smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1cnc(N2CC[NH+](C3CCCC3)CC2)c(Cl)c1 ZINC000236385376 721856650 /nfs/dbraw/zinc/85/66/50/721856650.db2.gz HXWCXZURIZNJGG-UHFFFAOYSA-N 1 0 280.803 2.382 10 0 CEAERO C[C@@H]1CCC[C@H](S(=O)(=O)CCC[NH2+]C2CC2)C1 ZINC000081983296 177911648 /nfs/dbraw/zinc/91/16/48/177911648.db2.gz JSQSPVBTYJGAAG-YPMHNXCESA-N 1 0 259.415 2.122 10 0 CEAERO C[NH2+][C@@H](C)CCCS(=O)(=O)c1cccc(C)c1 ZINC000081986579 177913210 /nfs/dbraw/zinc/91/32/10/177913210.db2.gz UZMVZBPKBQWJSS-LBPRGKRZSA-N 1 0 255.383 2.157 10 0 CEAERO Cc1cccc(S(=O)(=O)[C@@H]2Cc3ccccc3[C@H]2[NH3+])c1 ZINC000081986552 177913534 /nfs/dbraw/zinc/91/35/34/177913534.db2.gz WVLHDMUIGPIMNF-HZPDHXFCSA-N 1 0 287.384 2.393 10 0 CEAERO C[N@@H+]1C[C@@H](c2ccccc2)CC12CC[NH+](CC(=O)[O-])CC2 ZINC000095519559 185002417 /nfs/dbraw/zinc/00/24/17/185002417.db2.gz UCOCJIDVHJOHOF-HNNXBMFYSA-N 1 0 288.391 2.025 10 0 CEAERO CCOC(C[N@@H+]1CCC[C@@H]1Cn1ccnc1C)OCC ZINC000124564786 187143904 /nfs/dbraw/zinc/14/39/04/187143904.db2.gz BNUNQGWVUNUSOY-CQSZACIVSA-N 1 0 281.400 2.055 10 0 CEAERO COCc1nc(COc2ccccc2)sc1C[NH3+] ZINC000082445514 178022459 /nfs/dbraw/zinc/02/24/59/178022459.db2.gz WPCSPRMAPSFVJG-UHFFFAOYSA-N 1 0 264.350 2.327 10 0 CEAERO CN(c1ncccc1Br)[C@H]1CCC[NH2+]C1 ZINC000082500066 178064944 /nfs/dbraw/zinc/06/49/44/178064944.db2.gz MRZHJQBPPYVBKX-VIFPVBQESA-N 1 0 270.174 2.032 10 0 CEAERO CC(C)(C)OC(=O)[C@@H](N)Cc1cc(Cl)ncc1F ZINC000095929179 185031831 /nfs/dbraw/zinc/03/18/31/185031831.db2.gz WISACZJOARPZOC-VIFPVBQESA-N 1 0 274.723 2.086 10 0 CEAERO [NH3+]Cc1ccc(Br)cc1Sc1nc[nH]n1 ZINC000082615988 178126567 /nfs/dbraw/zinc/12/65/67/178126567.db2.gz JXRZMCMSPSDNCL-UHFFFAOYSA-N 1 0 285.170 2.177 10 0 CEAERO C[C@H]([NH3+])Cc1noc(-c2sccc2Br)n1 ZINC000082614411 178126576 /nfs/dbraw/zinc/12/65/76/178126576.db2.gz YOTWNZGALURZIU-YFKPBYRVSA-N 1 0 288.170 2.450 10 0 CEAERO COc1cccc(-n2ncc(C[NH2+]C3CC3)c2C)c1 ZINC000082661342 178148950 /nfs/dbraw/zinc/14/89/50/178148950.db2.gz SJYXCECZSSMBII-UHFFFAOYSA-N 1 0 257.337 2.441 10 0 CEAERO Cc1cc(Cl)ccc1NC(=O)C1([NH3+])CCOCC1 ZINC000127726521 187328833 /nfs/dbraw/zinc/32/88/33/187328833.db2.gz ZMBPUYSPFKYTCA-UHFFFAOYSA-N 1 0 268.744 2.095 10 0 CEAERO [NH3+]CCc1cn2cc(Br)cc(Cl)c2n1 ZINC000082694410 178189050 /nfs/dbraw/zinc/18/90/50/178189050.db2.gz LQGPNPMIZBMESL-UHFFFAOYSA-N 1 0 274.549 2.251 10 0 CEAERO CCN(CCCC[NH3+])S(=O)(=O)c1c(C)cc(C)cc1C ZINC000034401466 361790003 /nfs/dbraw/zinc/79/00/03/361790003.db2.gz NYQIPFRROWCZHX-UHFFFAOYSA-N 1 0 298.452 2.361 10 0 CEAERO CN(c1ncccc1NC(C)(C)C)C1CC[NH2+]CC1 ZINC000034437341 361790556 /nfs/dbraw/zinc/79/05/56/361790556.db2.gz FRAWLXSUKAAJNX-UHFFFAOYSA-N 1 0 262.401 2.480 10 0 CEAERO C[C@@H]([NH3+])CC[S@](=O)c1ccc(Br)cc1 ZINC000082747001 178269247 /nfs/dbraw/zinc/26/92/47/178269247.db2.gz LMJDEPVCMFBNCX-XLKFXECMSA-N 1 0 276.199 2.294 10 0 CEAERO Cn1ccc(C[NH2+]C(C)(C)CNC(=O)OC(C)(C)C)c1 ZINC000124903274 187160071 /nfs/dbraw/zinc/16/00/71/187160071.db2.gz GYUCCLKJMGUIMF-UHFFFAOYSA-N 1 0 281.400 2.418 10 0 CEAERO Cc1ccc(NC(=O)CN2CCC[C@H]2C[NH3+])c(Cl)c1 ZINC000123406391 365637530 /nfs/dbraw/zinc/63/75/30/365637530.db2.gz FBXLUIGIRLRBGR-NSHDSACASA-N 1 0 281.787 2.010 10 0 CEAERO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1ccccc1)C1CC1 ZINC000036031327 361824879 /nfs/dbraw/zinc/82/48/79/361824879.db2.gz ZYEBTNHZMWTBOI-INIZCTEOSA-N 1 0 291.391 2.355 10 0 CEAERO [NH3+]CC1(c2cccc(Br)c2)CC(=O)C1 ZINC000082999614 178333794 /nfs/dbraw/zinc/33/37/94/178333794.db2.gz SUYTWQLNUNRAEX-UHFFFAOYSA-N 1 0 254.127 2.009 10 0 CEAERO Cc1csc(SC[C@](C)(CO)[NH2+]C(C)C)n1 ZINC000082903501 178329536 /nfs/dbraw/zinc/32/95/36/178329536.db2.gz GHIXLNHHOJJGDE-NSHDSACASA-N 1 0 260.428 2.293 10 0 CEAERO C[NH2+][C@](C)(CO)C[C@@H](C)Sc1nc(C)cs1 ZINC000082903511 178329693 /nfs/dbraw/zinc/32/96/93/178329693.db2.gz IDIDYMLHMHOUAH-KOLCDFICSA-N 1 0 260.428 2.293 10 0 CEAERO C[C@H](C[C@@](C)(O)C[NH3+])Sc1ncccc1Cl ZINC000082917648 178330278 /nfs/dbraw/zinc/33/02/78/178330278.db2.gz FKMHKRGVOWSBFY-LDYMZIIASA-N 1 0 260.790 2.315 10 0 CEAERO C[NH2+]CCN(C)c1cc(Br)ccc1F ZINC000083256793 178372077 /nfs/dbraw/zinc/37/20/77/178372077.db2.gz ZURJPKSRSOUQDZ-UHFFFAOYSA-N 1 0 261.138 2.244 10 0 CEAERO C[C@H](CO)C[NH2+]CCOc1cccc(Br)c1 ZINC000083386059 178394583 /nfs/dbraw/zinc/39/45/83/178394583.db2.gz SBOPYUZOOCMYAH-JTQLQIEISA-N 1 0 288.185 2.046 10 0 CEAERO Cc1cccc(C)c1C[NH2+]CCC(=O)N1CCCC1 ZINC000096811077 185115122 /nfs/dbraw/zinc/11/51/22/185115122.db2.gz QWNAZPYTQZXMJA-UHFFFAOYSA-N 1 0 260.381 2.406 10 0 CEAERO COc1ccc([C@H](CC[NH3+])C2CC2)cc1NC(C)=O ZINC000096890601 185123888 /nfs/dbraw/zinc/12/38/88/185123888.db2.gz NYDJNWNAZPFPMT-CYBMUJFWSA-N 1 0 262.353 2.496 10 0 CEAERO CC(C)(C)OC(=O)N1Cc2sccc2[C@@H]([NH3+])C1 ZINC000096958593 185142918 /nfs/dbraw/zinc/14/29/18/185142918.db2.gz IZCIRLRIZXUCCD-VIFPVBQESA-N 1 0 254.355 2.499 10 0 CEAERO C[C@H]1C[NH2+]CC[C@@]12C[C@@H](O)c1ccc(F)cc1O2 ZINC000097005409 185150929 /nfs/dbraw/zinc/15/09/29/185150929.db2.gz BQRKOBKMOVAYPT-MRCXROJRSA-N 1 0 251.301 2.010 10 0 CEAERO CC1(CNC(=O)C2CCC(C[NH3+])CC2)CCCC1 ZINC000097031672 185154892 /nfs/dbraw/zinc/15/48/92/185154892.db2.gz NVYDGMIMTMYWLK-UHFFFAOYSA-N 1 0 252.402 2.448 10 0 CEAERO O=C1C(C[NH2+]Cc2ccccc2)=CC2=CC=C[C@H]3CCN1[C@@H]23 ZINC000039287456 361987564 /nfs/dbraw/zinc/98/75/64/361987564.db2.gz XBTUVTRHDJGMFX-MAUKXSAKSA-N 1 0 292.382 2.430 10 0 CEAERO CC1(C)CC(Nc2ncnc(Cl)c2N)CC(C)(C)[NH2+]1 ZINC000039287021 361987985 /nfs/dbraw/zinc/98/79/85/361987985.db2.gz XPQDLNBGQLMZAC-UHFFFAOYSA-N 1 0 283.807 2.433 10 0 CEAERO CCc1nn(C)cc1CN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000125523593 187189402 /nfs/dbraw/zinc/18/94/02/187189402.db2.gz QXKYWTPJMLMVNB-DZGCQCFKSA-N 1 0 278.444 2.383 10 0 CEAERO CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)N2CCCC2)C12CCCC2 ZINC000125653679 187194876 /nfs/dbraw/zinc/19/48/76/187194876.db2.gz BQGHMCYDEOMTGT-CABCVRRESA-N 1 0 294.439 2.278 10 0 CEAERO COc1cccc(CN(C)[C@H]2CCC[NH2+]CC2)c1F ZINC000226467879 539172201 /nfs/dbraw/zinc/17/22/01/539172201.db2.gz ADJYCYQKVZJQQY-ZDUSSCGKSA-N 1 0 266.360 2.408 10 0 CEAERO CSc1ccc(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000237320922 539220065 /nfs/dbraw/zinc/22/00/65/539220065.db2.gz UEAQNLHRQNRUDV-NWDGAFQWSA-N 1 0 264.394 2.152 10 0 CEAERO CC1(C(=O)N2CCC[C@H]([C@]34CC[C@H]3CC[NH2+]4)C2)CC1 ZINC000725263664 539212321 /nfs/dbraw/zinc/21/23/21/539212321.db2.gz YZMVFKTXFNHJJI-XEZPLFJOSA-N 1 0 262.397 2.167 10 0 CEAERO C[C@@H](c1cnn(CC2CCC2)c1)[N@@H+]1CC[C@@H](CO)C1 ZINC000725264341 539212808 /nfs/dbraw/zinc/21/28/08/539212808.db2.gz HXRXJKPHYNCFRU-GXTWGEPZSA-N 1 0 263.385 2.058 10 0 CEAERO CC(C)[C@H](C)NC(=O)N1CC[C@]2([NH3+])CCCC[C@H]12 ZINC000725264194 539212848 /nfs/dbraw/zinc/21/28/48/539212848.db2.gz GFKMYXNSYVOKDI-SGMGOOAPSA-N 1 0 253.390 2.086 10 0 CEAERO CC(C)(C)OC(=O)[C@](C)(C[NH3+])c1ccc(F)cc1 ZINC000725265190 539213028 /nfs/dbraw/zinc/21/30/28/539213028.db2.gz MRCNADRLTZQMGH-CQSZACIVSA-N 1 0 253.317 2.384 10 0 CEAERO CC(C)(C)OC(=O)[C@]1(C)CC2(C[C@H]1[NH3+])CCOCC2 ZINC000725266663 539213722 /nfs/dbraw/zinc/21/37/22/539213722.db2.gz UEQUKFUTZPSLNS-BXUZGUMPSA-N 1 0 269.385 2.252 10 0 CEAERO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)C1CC1 ZINC000127696893 539249196 /nfs/dbraw/zinc/24/91/96/539249196.db2.gz JBOFXTJDPLIBJR-MELADBBJSA-N 1 0 263.385 2.012 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(OC)ns1 ZINC000399013695 539263229 /nfs/dbraw/zinc/26/32/29/539263229.db2.gz BFCFSXZUSITCOW-NWDGAFQWSA-N 1 0 281.425 2.210 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(OC)ns1 ZINC000399013696 539263294 /nfs/dbraw/zinc/26/32/94/539263294.db2.gz BFCFSXZUSITCOW-RYUDHWBXSA-N 1 0 281.425 2.210 10 0 CEAERO CCOc1ccc(Cl)c(CN2CC[NH2+]CC2)c1 ZINC000041166531 362023976 /nfs/dbraw/zinc/02/39/76/362023976.db2.gz JWQSDSIOOVJQIY-UHFFFAOYSA-N 1 0 254.761 2.144 10 0 CEAERO C[C@H](NC(=O)C(C)(C)[NH3+])c1ccc(Br)cc1 ZINC000040925513 362010743 /nfs/dbraw/zinc/01/07/43/362010743.db2.gz WTIYNUVPFHNWNA-QMMMGPOBSA-N 1 0 285.185 2.364 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1ccc(Br)s1)N(C)C ZINC000043259121 362141661 /nfs/dbraw/zinc/14/16/61/362141661.db2.gz QVIZICHNEQDMSN-MUWHJKNJSA-N 1 0 263.204 2.461 10 0 CEAERO O=C(CC[C@H]1CCC[NH2+]C1)N[C@H]1CCOc2ccccc21 ZINC000043588735 362147859 /nfs/dbraw/zinc/14/78/59/362147859.db2.gz SPFMDUWGSIAAGV-HIFRSBDPSA-N 1 0 288.391 2.406 10 0 CEAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc2cnccc2c1 ZINC000236530292 539302714 /nfs/dbraw/zinc/30/27/14/539302714.db2.gz MJJYAHSBLKTRJX-HZPDHXFCSA-N 1 0 256.349 2.485 10 0 CEAERO C[C@@H]([NH3+])Cc1ccc(N(C)C)cc1Br ZINC000033825550 343418136 /nfs/dbraw/zinc/41/81/36/343418136.db2.gz HARGFOZNYKJJBV-MRVPVSSYSA-N 1 0 257.175 2.405 10 0 CEAERO CCCCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)N2CCOCC2)C1(C)C ZINC000245959714 539313455 /nfs/dbraw/zinc/31/34/55/539313455.db2.gz XYSXQTUSIXIPDD-ARFHVFGLSA-N 1 0 298.471 2.281 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 ZINC000037006029 343424874 /nfs/dbraw/zinc/42/48/74/343424874.db2.gz ZRRQLAHPNRWYPJ-QPUJVOFHSA-N 1 0 298.770 2.439 10 0 CEAERO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](O)C2)cc1OC ZINC000037164301 343426235 /nfs/dbraw/zinc/42/62/35/343426235.db2.gz DDUCQIYMZVLJLT-CHWSQXEVSA-N 1 0 265.353 2.097 10 0 CEAERO [NH3+]C[C@]12C[C@H](CN1C(=O)C1CCCCC1)CCC2 ZINC000675051902 539314658 /nfs/dbraw/zinc/31/46/58/539314658.db2.gz WYXUWRLNVZOZJA-DOMZBBRYSA-N 1 0 250.386 2.297 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)c2cc3c(s2)CCCC3)C1 ZINC000170858813 282263505 /nfs/dbraw/zinc/26/35/05/282263505.db2.gz RSTOVIVHMNHGGW-LBPRGKRZSA-N 1 0 278.421 2.403 10 0 CEAERO O=C(Nc1ccnc2[nH]ccc21)c1ccc2c(c1)CC[NH2+]C2 ZINC000038304188 343434412 /nfs/dbraw/zinc/43/44/12/343434412.db2.gz QTBCLYZNYUHDBS-UHFFFAOYSA-N 1 0 292.342 2.461 10 0 CEAERO C[NH+](C)[C@H]1CCN(c2nnc(-c3ccccc3)s2)C1 ZINC000170844083 282264563 /nfs/dbraw/zinc/26/45/63/282264563.db2.gz ZSKSNAJPTBDUOI-LBPRGKRZSA-N 1 0 274.393 2.345 10 0 CEAERO C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC000004077113 539321573 /nfs/dbraw/zinc/32/15/73/539321573.db2.gz BVMKOCVADNIHAQ-NSHDSACASA-N 1 0 257.341 2.241 10 0 CEAERO O=C(Cc1cccs1)NCCCC[NH+]1CCCC1 ZINC000044456361 343471909 /nfs/dbraw/zinc/47/19/09/343471909.db2.gz QJPVLZBMBXQQBG-UHFFFAOYSA-N 1 0 266.410 2.283 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000227881739 539323298 /nfs/dbraw/zinc/32/32/98/539323298.db2.gz XKXJWRPKSMUFCB-MXWKQRLJSA-N 1 0 278.318 2.175 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)/C=C/c2ccc(O)cc2)C1 ZINC000126797791 187263216 /nfs/dbraw/zinc/26/32/16/187263216.db2.gz APYJNDKHOLCJRL-MVQLRYDASA-N 1 0 288.391 2.250 10 0 CEAERO OC1(C[N@@H+]2CCCN(Cc3ccccc3)CC2)CCC1 ZINC000336698143 365765350 /nfs/dbraw/zinc/76/53/50/365765350.db2.gz CPYDEDDJIYHNSX-UHFFFAOYSA-N 1 0 274.408 2.109 10 0 CEAERO O[C@]12CCCC[C@@H]1C[N@H+](C[C@H]1CCCOC1)CC2 ZINC000336723454 365786743 /nfs/dbraw/zinc/78/67/43/365786743.db2.gz ZJDXQGGMQNLLFV-KFWWJZLASA-N 1 0 253.386 2.040 10 0 CEAERO CC(C)[C@@H](C)NC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000060955854 343664230 /nfs/dbraw/zinc/66/42/30/343664230.db2.gz NUOTZWDWFOSOJZ-HZSPNIEDSA-N 1 0 269.433 2.451 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cccc(OC)c1F ZINC000128025316 187346918 /nfs/dbraw/zinc/34/69/18/187346918.db2.gz QZZJSOGGXZDHQW-LBPRGKRZSA-N 1 0 294.370 2.391 10 0 CEAERO CC[C@H](O)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000083562672 178581172 /nfs/dbraw/zinc/58/11/72/178581172.db2.gz HJTSMQPVDQMJFD-MNOVXSKESA-N 1 0 258.159 2.262 10 0 CEAERO [NH3+]C[C@@H](c1ccccc1Br)[C@@H](O)C1CC1 ZINC000083565039 178581310 /nfs/dbraw/zinc/58/13/10/178581310.db2.gz OFXRRWSJRWPCQC-JQWIXIFHSA-N 1 0 270.170 2.262 10 0 CEAERO CC[C@H](C[NH3+])[C@@H](O)c1cc(OC)ccc1Br ZINC000083564119 178581346 /nfs/dbraw/zinc/58/13/46/178581346.db2.gz BECOSNIKFDTUSH-PRHODGIISA-N 1 0 288.185 2.476 10 0 CEAERO CC(C)n1nnnc1C[N@@H+]1CCCC(C)(C)CC1 ZINC000127014986 187276272 /nfs/dbraw/zinc/27/62/72/187276272.db2.gz YWIUGTYXUUYOMJ-UHFFFAOYSA-N 1 0 251.378 2.266 10 0 CEAERO [NH3+][C@H]1CCCN(c2nc(C(F)(F)F)cs2)C1 ZINC000075732836 343865330 /nfs/dbraw/zinc/86/53/30/343865330.db2.gz LWFNQGXIHFMZAZ-LURJTMIESA-N 1 0 251.277 2.089 10 0 CEAERO CCC1(O)CC[NH+](C[C@](C)(O)c2ccccc2)CC1 ZINC000075859572 343869969 /nfs/dbraw/zinc/86/99/69/343869969.db2.gz PEFGSGFIGVSSAG-HNNXBMFYSA-N 1 0 263.381 2.131 10 0 CEAERO CC[C@H](C[NH3+])c1nc2cc(Br)cnc2[nH]1 ZINC000083602602 178612721 /nfs/dbraw/zinc/61/27/21/178612721.db2.gz RZHWNMNUJDBFOG-ZCFIWIBFSA-N 1 0 269.146 2.173 10 0 CEAERO [NH3+][C@@]1(CCO)CCc2cc(Br)ccc2C1 ZINC000083617808 178613692 /nfs/dbraw/zinc/61/36/92/178613692.db2.gz WWCBPTHXQLHSBJ-GFCCVEGCSA-N 1 0 270.170 2.018 10 0 CEAERO COC[C@H](O)C[N@@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000127079107 187280463 /nfs/dbraw/zinc/28/04/63/187280463.db2.gz BIIOXQDXRYQMTD-QWHCGFSZSA-N 1 0 298.452 2.453 10 0 CEAERO C[C@H](CC(=O)N[C@@H](C)c1ccccn1)[C@@H]1CCC[NH2+]C1 ZINC000127119422 187283497 /nfs/dbraw/zinc/28/34/97/187283497.db2.gz LIAUMXIRLWKHEQ-HZSPNIEDSA-N 1 0 275.396 2.285 10 0 CEAERO CCO[C@@H]1CCC[N@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000114503694 344279791 /nfs/dbraw/zinc/27/97/91/344279791.db2.gz LNZGPJMJLYDWJG-IAGOWNOFSA-N 1 0 293.407 2.065 10 0 CEAERO [NH3+]C[C@H]1OCCc2sc(N3CCCCC3)cc21 ZINC000117844886 344290338 /nfs/dbraw/zinc/29/03/38/344290338.db2.gz BBADFWSFNOQECA-LLVKDONJSA-N 1 0 252.383 2.311 10 0 CEAERO Cc1noc(C2CC2)c1NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000129317858 344342673 /nfs/dbraw/zinc/34/26/73/344342673.db2.gz INMSVKVPAGNJMX-NSHDSACASA-N 1 0 278.356 2.028 10 0 CEAERO CC(C)c1nsc(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000131089068 344356275 /nfs/dbraw/zinc/35/62/75/344356275.db2.gz UGGHHCDTUHLLBI-AXFHLTTASA-N 1 0 266.414 2.225 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1OCc1ccc(Br)o1 ZINC000131335751 344357089 /nfs/dbraw/zinc/35/70/89/344357089.db2.gz CNKZFHXWCRIQAY-DTWKUNHWSA-N 1 0 260.131 2.439 10 0 CEAERO C[C@H]([NH3+])C[C@H](O)c1cc(Br)ccc1F ZINC000132363536 344363089 /nfs/dbraw/zinc/36/30/89/344363089.db2.gz ZECJCEORLADNOO-WKEGUHRASA-N 1 0 262.122 2.359 10 0 CEAERO C[C@H]([NH3+])C[C@@H](O)c1cc(Br)ccc1F ZINC000132363906 344363403 /nfs/dbraw/zinc/36/34/03/344363403.db2.gz ZECJCEORLADNOO-QUBYGPBYSA-N 1 0 262.122 2.359 10 0 CEAERO COc1ccc([C@H](C)NC(=O)[C@H]([NH3+])C(C)(C)C)cc1 ZINC000123368412 344310126 /nfs/dbraw/zinc/31/01/26/344310126.db2.gz XALMZXSBLQJKBB-GWCFXTLKSA-N 1 0 264.369 2.246 10 0 CEAERO c1cc(CC[N@@H+]2CCCC3(C2)OCCO3)cs1 ZINC000134009159 344371202 /nfs/dbraw/zinc/37/12/02/344371202.db2.gz RYILFTBUCZRXQR-UHFFFAOYSA-N 1 0 253.367 2.130 10 0 CEAERO CC(=O)N[C@H]1CC[NH2+][C@H](Cc2ccc(Cl)cc2)C1 ZINC000147072999 344411438 /nfs/dbraw/zinc/41/14/38/344411438.db2.gz ZUCUZFNFZHAFCF-UONOGXRCSA-N 1 0 266.772 2.139 10 0 CEAERO C=CC(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C ZINC000148454658 344413589 /nfs/dbraw/zinc/41/35/89/344413589.db2.gz FSNGKCJIEJCKML-GFCCVEGCSA-N 1 0 262.328 2.044 10 0 CEAERO CC(C)[C@@H]1CN(c2nc3ccccc3n2C)CC[NH2+]1 ZINC000149256216 344415085 /nfs/dbraw/zinc/41/50/85/344415085.db2.gz FEHDTTCYIVNZHK-ZDUSSCGKSA-N 1 0 258.369 2.008 10 0 CEAERO C[C@H]1CC(c2ccncc2[N+](=O)[O-])=CC(=O)[C@H]1C[NH+](C)C ZINC000149822748 344415222 /nfs/dbraw/zinc/41/52/22/344415222.db2.gz MRURIDYMVHCNJL-GWCFXTLKSA-N 1 0 289.335 2.160 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(C)(C)OC ZINC000336784582 365801400 /nfs/dbraw/zinc/80/14/00/365801400.db2.gz RWWGGCIXLROCHX-UONOGXRCSA-N 1 0 254.418 2.360 10 0 CEAERO [NH3+][C@H]1CSC[C@@H]1Cc1cncc(Br)c1 ZINC000160732480 344461230 /nfs/dbraw/zinc/46/12/30/344461230.db2.gz JQCGIPJOVNKJBA-WPRPVWTQSA-N 1 0 273.199 2.077 10 0 CEAERO [NH3+][C@@H]1CSC[C@H]1Cc1cncc(Br)c1 ZINC000160732623 344461264 /nfs/dbraw/zinc/46/12/64/344461264.db2.gz JQCGIPJOVNKJBA-PSASIEDQSA-N 1 0 273.199 2.077 10 0 CEAERO [NH3+]C[C@H]1CC[C@H]1Cc1ccc(Br)cn1 ZINC000161925865 344465626 /nfs/dbraw/zinc/46/56/26/344465626.db2.gz RGFSBJIIYALYON-DTWKUNHWSA-N 1 0 255.159 2.372 10 0 CEAERO CCOC(=O)CC[C@H]1CCC[N@H+](C[C@@](C)(O)CC)C1 ZINC000162020217 344466557 /nfs/dbraw/zinc/46/65/57/344466557.db2.gz QLXVBJKLODGIKA-HIFRSBDPSA-N 1 0 271.401 2.203 10 0 CEAERO C[C@@H]([NH3+])CNc1ncc(Cl)cc1Br ZINC000162818918 344468632 /nfs/dbraw/zinc/46/86/32/344468632.db2.gz FASCPUCOMZDQMR-RXMQYKEDSA-N 1 0 264.554 2.257 10 0 CEAERO Cc1ccccc1C1(C(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000170868350 344491889 /nfs/dbraw/zinc/49/18/89/344491889.db2.gz KIPREXFRJYWFFR-CQSZACIVSA-N 1 0 272.392 2.189 10 0 CEAERO CCCOCCC[NH2+]CCOc1ccccc1OC ZINC000211090773 344531034 /nfs/dbraw/zinc/53/10/34/344531034.db2.gz JRNQOGMQUKNHCL-UHFFFAOYSA-N 1 0 267.369 2.480 10 0 CEAERO Cc1ccc2ccc(N3CC[NH2+][C@@H](C(C)C)C3)nc2n1 ZINC000217851366 344535726 /nfs/dbraw/zinc/53/57/26/344535726.db2.gz LCOQFOFKJHJONM-CQSZACIVSA-N 1 0 270.380 2.372 10 0 CEAERO Cc1[nH]c(-c2ccccc2NC2CC[NH2+]CC2)cc1C(N)=O ZINC000220805393 344538374 /nfs/dbraw/zinc/53/83/74/344538374.db2.gz ZEQAGGFKUDLTRU-UHFFFAOYSA-N 1 0 298.390 2.253 10 0 CEAERO CC[NH+](CC)CC[C@]1(C)Oc2ccc(N)cc2O1 ZINC000221292521 344538920 /nfs/dbraw/zinc/53/89/20/344538920.db2.gz DSPKHXVCWFPVBG-CQSZACIVSA-N 1 0 250.342 2.488 10 0 CEAERO O=C(c1cscc1Br)[C@@H]1CC[NH2+]C1 ZINC000226331219 344549089 /nfs/dbraw/zinc/54/90/89/344549089.db2.gz GGHKDVVEYQISNI-ZCFIWIBFSA-N 1 0 260.156 2.303 10 0 CEAERO COC(=O)[C@H](C)C[N@H+](C)Cc1ccc2ccccc2n1 ZINC000050068929 362397792 /nfs/dbraw/zinc/39/77/92/362397792.db2.gz XVMYKXMRFDAVJN-GFCCVEGCSA-N 1 0 272.348 2.476 10 0 CEAERO NC(=O)C[C@H]([NH3+])c1cc(Br)c(Cl)s1 ZINC000227904712 344557549 /nfs/dbraw/zinc/55/75/49/344557549.db2.gz IVACEXZSSGNYMR-BYPYZUCNSA-N 1 0 283.578 2.039 10 0 CEAERO CCCCOC[C@H](O)C[NH2+]Cc1cscc1C ZINC000227894450 344557561 /nfs/dbraw/zinc/55/75/61/344557561.db2.gz HTXZDDHYKBWEFU-CYBMUJFWSA-N 1 0 257.399 2.324 10 0 CEAERO Cc1cc(Br)cc2c1OC[C@@H](C[NH3+])C2 ZINC000235762771 344592973 /nfs/dbraw/zinc/59/29/73/344592973.db2.gz YNSVDMATWQBESZ-MRVPVSSYSA-N 1 0 256.143 2.267 10 0 CEAERO c1nnsc1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000232291822 344577314 /nfs/dbraw/zinc/57/73/14/344577314.db2.gz XRQAOTKKKHVEDN-LBPRGKRZSA-N 1 0 260.366 2.225 10 0 CEAERO CCC[C@@H]1C[C@H]1[NH2+]C[C@@H](O)COCc1ccccc1 ZINC000233306642 344581355 /nfs/dbraw/zinc/58/13/55/344581355.db2.gz QRGGXWLPTORLMF-BZUAXINKSA-N 1 0 263.381 2.342 10 0 CEAERO O=C1NCCC[C@H]1[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000050394724 362417635 /nfs/dbraw/zinc/41/76/35/362417635.db2.gz APNRZUVZQNFOOU-CQSZACIVSA-N 1 0 288.322 2.454 10 0 CEAERO OCCC[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccco2)o1 ZINC000052761952 362474238 /nfs/dbraw/zinc/47/42/38/362474238.db2.gz ICEYFULRWGGCJT-NSHDSACASA-N 1 0 277.324 2.067 10 0 CEAERO CCSc1cc(C(=O)N[C@@H]2CCC[N@H+](CC)C2)ccn1 ZINC000053150477 362483913 /nfs/dbraw/zinc/48/39/13/362483913.db2.gz CXFVMODRNPDGDO-CYBMUJFWSA-N 1 0 293.436 2.408 10 0 CEAERO [NH3+]Cc1cc(Br)ncc1OC(F)(F)F ZINC000238631571 344606919 /nfs/dbraw/zinc/60/69/19/344606919.db2.gz CQRLIGJGNVWNPN-UHFFFAOYSA-N 1 0 271.036 2.201 10 0 CEAERO C[NH2+][C@H]1CCN(Cc2ccsc2Br)C1 ZINC000307022975 344719524 /nfs/dbraw/zinc/71/95/24/344719524.db2.gz VEJMTBIRXUIMFS-VIFPVBQESA-N 1 0 275.215 2.304 10 0 CEAERO C[C@@H]1CC[C@H](C(=O)N[C@H](CCC[NH3+])c2ccccc2)O1 ZINC000312670858 344739607 /nfs/dbraw/zinc/73/96/07/344739607.db2.gz LRTXMFXKQZSYJG-BPLDGKMQSA-N 1 0 276.380 2.150 10 0 CEAERO CCS[C@@H]1CCC[C@@H]1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000300646535 344701223 /nfs/dbraw/zinc/70/12/23/344701223.db2.gz GPDOGBDFKHINEG-FRRDWIJNSA-N 1 0 270.442 2.167 10 0 CEAERO C[C@H](C[NH3+])Nc1cccc(F)c1I ZINC000301003577 344702096 /nfs/dbraw/zinc/70/20/96/344702096.db2.gz YLUITNFHRRHNCH-ZCFIWIBFSA-N 1 0 294.111 2.189 10 0 CEAERO CC[C@@H]([NH3+])[C@H](O)c1cccc(I)c1 ZINC000306230095 344712471 /nfs/dbraw/zinc/71/24/71/344712471.db2.gz IYKHSGXCMZLIAT-NXEZZACHSA-N 1 0 291.132 2.062 10 0 CEAERO O[C@@H](c1csc(Br)c1)[C@H]1C=CC[NH2+]1 ZINC000306392941 344713264 /nfs/dbraw/zinc/71/32/64/344713264.db2.gz FTFQXJKMYLTQKN-APPZFPTMSA-N 1 0 260.156 2.072 10 0 CEAERO [NH3+][C@H](C[C@@H]1CCOC1)c1ccc(Br)o1 ZINC000306591806 344715154 /nfs/dbraw/zinc/71/51/54/344715154.db2.gz VUSOKYSSVQNKEI-JGVFFNPUSA-N 1 0 260.131 2.469 10 0 CEAERO C[C@@H]1C[C@H](C)C[NH2+][C@@H]1CCN1C(=O)c2ccccc2C1=O ZINC000306610367 344715682 /nfs/dbraw/zinc/71/56/82/344715682.db2.gz KWSCHSPYDOKMFV-YWPYICTPSA-N 1 0 286.375 2.307 10 0 CEAERO C[C@]1(C(=O)Cc2ccc(Br)o2)CCC[NH2+]1 ZINC000306673744 344716272 /nfs/dbraw/zinc/71/62/72/344716272.db2.gz OJHSXPNGDVQLJT-LLVKDONJSA-N 1 0 272.142 2.296 10 0 CEAERO [NH3+][C@@H](Cn1cccn1)c1cscc1Br ZINC000306888357 344718299 /nfs/dbraw/zinc/71/82/99/344718299.db2.gz VVDXVOOIJZVJRZ-VIFPVBQESA-N 1 0 272.171 2.407 10 0 CEAERO NC(=O)c1cccc(CN(C[C@H]2CCC[NH2+]2)C2CC2)c1 ZINC000328647221 344757970 /nfs/dbraw/zinc/75/79/70/344757970.db2.gz TVEDGNXFRACXAH-CQSZACIVSA-N 1 0 273.380 2.286 10 0 CEAERO N#Cc1ccc(N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(F)c1 ZINC000388947965 344834806 /nfs/dbraw/zinc/83/48/06/344834806.db2.gz ZCGSBYNSKSRNAW-WFASDCNBSA-N 1 0 259.328 2.263 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@H](C)[C@H]1CC2CCC1CC2 ZINC000381668319 344824878 /nfs/dbraw/zinc/82/48/78/344824878.db2.gz KTBMTCNXMMSQJD-DQRRXLOISA-N 1 0 252.402 2.445 10 0 CEAERO CC[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCN(CCO)C2)C1 ZINC000384561313 344828468 /nfs/dbraw/zinc/82/84/68/344828468.db2.gz KBFMIQZQIHRIQO-KFWWJZLASA-N 1 0 254.418 2.002 10 0 CEAERO Cc1cc(C)c(C[NH2+][C@H]2CCCN(CCO)C2)c(C)c1 ZINC000384426104 344828503 /nfs/dbraw/zinc/82/85/03/344828503.db2.gz ULJKWJJYNGXIAE-INIZCTEOSA-N 1 0 276.424 2.158 10 0 CEAERO CC(C)c1ccc(C[NH2+]C2CCN(CCO)CC2)cc1 ZINC000399014400 344856195 /nfs/dbraw/zinc/85/61/95/344856195.db2.gz COIOPEGEDHCRTP-UHFFFAOYSA-N 1 0 276.424 2.356 10 0 CEAERO [NH3+]C[C@H]1CCCN1C(=O)/C=C\c1ccc(Br)o1 ZINC000493128674 290736613 /nfs/dbraw/zinc/73/66/13/290736613.db2.gz UHVLQKQBSWPMJG-XTULLQBASA-N 1 0 299.168 2.005 10 0 CEAERO C[NH2+][C@H]1CCC[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000403277805 344874876 /nfs/dbraw/zinc/87/48/76/344874876.db2.gz QQLWTGKOMTYRPF-NEPJUHHUSA-N 1 0 272.348 2.061 10 0 CEAERO [NH2+]=C(NCc1ccccc1)N1CCCC(F)(F)C1 ZINC000404782695 344882802 /nfs/dbraw/zinc/88/28/02/344882802.db2.gz NZVYLIOPSUZCRX-UHFFFAOYSA-N 1 0 253.296 2.442 10 0 CEAERO C[NH2+][C@@H](C[S@@](=O)c1ccc(F)c(F)c1)C1CC1 ZINC000084032389 178773291 /nfs/dbraw/zinc/77/32/91/178773291.db2.gz IFRBITPZQASZDY-SJCJKPOMSA-N 1 0 259.321 2.070 10 0 CEAERO CCC[C@H](C[S@](=O)c1ccc(F)c(F)c1)[NH2+]C ZINC000084032650 178773349 /nfs/dbraw/zinc/77/33/49/178773349.db2.gz BTJBGZPGFQSWOR-VVVCHXIZSA-N 1 0 261.337 2.461 10 0 CEAERO CC[NH2+][C@H](C[S@@](=O)c1ccccc1F)C1CC1 ZINC000084001827 178769333 /nfs/dbraw/zinc/76/93/33/178769333.db2.gz BAHDRNHYUGOBDV-PXAZEXFGSA-N 1 0 255.358 2.321 10 0 CEAERO CC[NH2+][C@H](CC)C[S@](=O)c1ccc(OC)cc1 ZINC000084002237 178770055 /nfs/dbraw/zinc/77/00/55/178770055.db2.gz CZVHDRKWSRNGIP-PIGZYNQJSA-N 1 0 255.383 2.191 10 0 CEAERO CC[NH2+][C@H](C[S@](=O)CCOC)c1ccc(C)cc1C ZINC000084036035 178775741 /nfs/dbraw/zinc/77/57/41/178775741.db2.gz GMOFNASYIUEILZ-BEFAXECRSA-N 1 0 283.437 2.349 10 0 CEAERO CCC[NH2+]CCC[S@](=O)c1cc(F)ccc1F ZINC000084037815 178776748 /nfs/dbraw/zinc/77/67/48/178776748.db2.gz MPAHMJGDBDDREE-QGZVFWFLSA-N 1 0 261.337 2.462 10 0 CEAERO COc1ccc([C@H](C)[NH3+])cc1C[S@@](=O)C(C)C ZINC000084042757 178777903 /nfs/dbraw/zinc/77/79/03/178777903.db2.gz SZFBVCONRVSBPP-BTDLBPIBSA-N 1 0 255.383 2.372 10 0 CEAERO COc1ccc(OC)c([C@H]([NH3+])C[S@](=O)C2CCCC2)c1 ZINC000084051542 178779178 /nfs/dbraw/zinc/77/91/78/178779178.db2.gz RZKQVWKGBUEKQQ-JLTOFOAXSA-N 1 0 297.420 2.395 10 0 CEAERO CC[C@@H](C)[NH2+][C@H](C)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000584605106 344963558 /nfs/dbraw/zinc/96/35/58/344963558.db2.gz BNZHZYBYIUOPJY-GHMZBOCLSA-N 1 0 298.408 2.017 10 0 CEAERO O=C(Cc1cccc2nccn21)Nc1ccc2c(c1)OCC2 ZINC000584605577 344963601 /nfs/dbraw/zinc/96/36/01/344963601.db2.gz VEQQIVCGAIQLHK-UHFFFAOYSA-N 1 0 293.326 2.450 10 0 CEAERO C[NH2+][C@@H]1CCN2CCc3c4ccccc4[nH]c3[C@H]2C1 ZINC000584605691 344964366 /nfs/dbraw/zinc/96/43/66/344964366.db2.gz BSLOAXMBORIDEA-IAQYHMDHSA-N 1 0 255.365 2.449 10 0 CEAERO C[C@H](Cc1c[nH]c2ccccc12)[NH2+]C[C@](C)(F)CO ZINC000584621183 344967343 /nfs/dbraw/zinc/96/73/43/344967343.db2.gz LLBNXYIFLJLUEA-ABAIWWIYSA-N 1 0 264.344 2.409 10 0 CEAERO C[C@H]([NH3+])c1cccc(S[C@@H](C)C(=O)N(C)C)c1 ZINC000084122320 178797569 /nfs/dbraw/zinc/79/75/69/178797569.db2.gz WRMCDCNWWOARCG-UWVGGRQHSA-N 1 0 252.383 2.275 10 0 CEAERO COc1ccc(-c2cc3c([nH+]c2N)NCCC3)cc1 ZINC000584883385 344996878 /nfs/dbraw/zinc/99/68/78/344996878.db2.gz VJZWZQVKEYTOBB-UHFFFAOYSA-N 1 0 255.321 2.044 10 0 CEAERO Cc1ccc(NC(=O)CSC(N)=[NH2+])c(Cl)c1 ZINC000084147495 178803111 /nfs/dbraw/zinc/80/31/11/178803111.db2.gz YRPSJVVXYSDTEQ-UHFFFAOYSA-N 1 0 257.746 2.214 10 0 CEAERO CN(C)c1ccc(NC(=O)CC2([NH3+])CCCC2)cc1 ZINC000084164868 178811341 /nfs/dbraw/zinc/81/13/41/178811341.db2.gz LIGNRXGVWBAYML-UHFFFAOYSA-N 1 0 261.369 2.353 10 0 CEAERO CCN(Cc1ccccc1Cl)C(=O)[C@@H](C)[NH2+]C ZINC000054075053 362510414 /nfs/dbraw/zinc/51/04/14/362510414.db2.gz ZTCOFXKDKZSGCU-SNVBAGLBSA-N 1 0 254.761 2.296 10 0 CEAERO C[NH2+][C@H](C)C(=O)Nc1ccccc1N1CCCCC1 ZINC000054076394 362510543 /nfs/dbraw/zinc/51/05/43/362510543.db2.gz ILMGHFDCKDPNQT-GFCCVEGCSA-N 1 0 261.369 2.223 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000054307439 362526573 /nfs/dbraw/zinc/52/65/73/362526573.db2.gz GHGYVDPTPOTKSB-LBPRGKRZSA-N 1 0 284.363 2.405 10 0 CEAERO COc1cc(OC)c([C@H]2[NH2+]CC[C@H]2C)c(OC)c1 ZINC000084237931 178830159 /nfs/dbraw/zinc/83/01/59/178830159.db2.gz CJLBTRDDCKUEFR-OTYXRUKQSA-N 1 0 251.326 2.383 10 0 CEAERO COc1ccc([C@H]([NH3+])[C@H]2CCSC2)cc1OC ZINC000097078306 185522310 /nfs/dbraw/zinc/52/23/10/185522310.db2.gz VUNNYBXPWPCJED-GWCFXTLKSA-N 1 0 253.367 2.457 10 0 CEAERO CCC[C@@H]1CC[C@H](C[NH3+])[C@H](S(=O)(=O)CCC)C1 ZINC000084270384 178836932 /nfs/dbraw/zinc/83/69/32/178836932.db2.gz PCHVDZKGIMJBSB-JHJVBQTASA-N 1 0 261.431 2.355 10 0 CEAERO c1nn(Cc2ccccc2)cc1N[C@H]1CCC[NH2+]CC1 ZINC000133759581 232213671 /nfs/dbraw/zinc/21/36/71/232213671.db2.gz FBBNPURNOCLYMO-HNNXBMFYSA-N 1 0 270.380 2.485 10 0 CEAERO C[NH2+][C@H]1CCC[C@@H](S(=O)(=O)c2ccccc2F)C1 ZINC000084429977 178885837 /nfs/dbraw/zinc/88/58/37/178885837.db2.gz OPITYDCLMGJMGE-WDEREUQCSA-N 1 0 271.357 2.130 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)C2CCCCC2)C1 ZINC000057870607 362597761 /nfs/dbraw/zinc/59/77/61/362597761.db2.gz BNASCVOQKKNAJI-CYBMUJFWSA-N 1 0 267.417 2.445 10 0 CEAERO CCn1nccc1[C@H]([NH2+]C)[C@H]1OCCc2ccccc21 ZINC000097185750 185557044 /nfs/dbraw/zinc/55/70/44/185557044.db2.gz QHCTYUBENIFHAZ-HOTGVXAUSA-N 1 0 271.364 2.478 10 0 CEAERO CCC[NH2+][C@@H](Cc1cc(C)nn1C)C[C@H](C)COC ZINC000097273348 185575532 /nfs/dbraw/zinc/57/55/32/185575532.db2.gz YQALVPBTCJYVQX-GXTWGEPZSA-N 1 0 267.417 2.312 10 0 CEAERO CC[NH2+][C@@H](Cc1c(Cl)c(C)nn1C)c1cnns1 ZINC000097273840 185575708 /nfs/dbraw/zinc/57/57/08/185575708.db2.gz HKDVIBJCFOUSMY-QMMMGPOBSA-N 1 0 285.804 2.127 10 0 CEAERO CC[NH2+][C@H](CCCOCC)Cc1cc(CC)nn1C ZINC000097276806 185576738 /nfs/dbraw/zinc/57/67/38/185576738.db2.gz KBOJVMIYZNHQDW-CQSZACIVSA-N 1 0 267.417 2.320 10 0 CEAERO Cn1nc(C[C@@H]([NH3+])CCc2ccccn2)c2ccccc21 ZINC000097279395 185577615 /nfs/dbraw/zinc/57/76/15/185577615.db2.gz WDMHZGIXQZKTHM-ZDUSSCGKSA-N 1 0 280.375 2.471 10 0 CEAERO CC[NH2+][C@H](CCOCC)Cc1cc(CC)nn1CC ZINC000097280028 185578306 /nfs/dbraw/zinc/57/83/06/185578306.db2.gz SGJQIIBYVUGVEK-CQSZACIVSA-N 1 0 267.417 2.413 10 0 CEAERO CCn1ncnc1C[C@@H]([NH3+])CSc1ccc(C)cc1 ZINC000097332225 185585593 /nfs/dbraw/zinc/58/55/93/185585593.db2.gz PGYBQDBQKXDMKV-GFCCVEGCSA-N 1 0 276.409 2.269 10 0 CEAERO CCc1nnsc1[C@@H]([NH3+])[C@H]1CCc2cccnc21 ZINC000097305051 185581826 /nfs/dbraw/zinc/58/18/26/185581826.db2.gz UETVYCSSHUGZMN-KOLCDFICSA-N 1 0 260.366 2.225 10 0 CEAERO [NH3+][C@H](CCc1ccncc1)[C@@H]1CCc2cccnc21 ZINC000097305784 185582853 /nfs/dbraw/zinc/58/28/53/185582853.db2.gz QOIPDJMTNRBJRU-LSDHHAIUSA-N 1 0 253.349 2.467 10 0 CEAERO CCOc1cncc([C@H]([NH2+]C)c2cc(CC)nn2C)c1 ZINC000097381171 185595002 /nfs/dbraw/zinc/59/50/02/185595002.db2.gz XERLJSSLNGNTSK-HNNXBMFYSA-N 1 0 274.368 2.085 10 0 CEAERO CCC[NH2+][C@H](CCCOCC)c1ncc(OC)nc1OC ZINC000097387416 185596180 /nfs/dbraw/zinc/59/61/80/185596180.db2.gz JPDCXWOZAGBXPK-GFCCVEGCSA-N 1 0 297.399 2.351 10 0 CEAERO C[C@@H](NC(=O)CC(C)(C)[NH3+])c1ccc(F)c(F)c1 ZINC000084166036 539499717 /nfs/dbraw/zinc/49/97/17/539499717.db2.gz LTYUVNPYYBJFOR-MRVPVSSYSA-N 1 0 256.296 2.269 10 0 CEAERO Cc1nn(C)c(C)c1C[C@@H]([NH3+])Cc1ccc(F)c(F)c1 ZINC000097382655 185594313 /nfs/dbraw/zinc/59/43/13/185594313.db2.gz TZTWFNZJCLVUEF-LBPRGKRZSA-N 1 0 279.334 2.428 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCc2ccc(Cl)s2)C1 ZINC000085013609 178942461 /nfs/dbraw/zinc/94/24/61/178942461.db2.gz KGPFRZOQAFOXFO-HTQZYQBOSA-N 1 0 258.774 2.145 10 0 CEAERO CC[C@@H]([NH3+])[C@H](CC(=O)OC)c1ccccc1COC ZINC000097432337 185602594 /nfs/dbraw/zinc/60/25/94/185602594.db2.gz HWGUHCVWXHCLHC-ZIAGYGMSSA-N 1 0 265.353 2.217 10 0 CEAERO COC(=O)C[C@@H](c1ccc2ccccc2n1)[C@@H](C)[NH3+] ZINC000097430931 185601649 /nfs/dbraw/zinc/60/16/49/185601649.db2.gz KPIZCRRYZGJQCP-ZYHUDNBSSA-N 1 0 258.321 2.229 10 0 CEAERO C[NH2+]C[C@@](C)(O)Cc1ccc(F)cc1Br ZINC000085075695 178947597 /nfs/dbraw/zinc/94/75/97/178947597.db2.gz UGOUJYGEGHIEMQ-NSHDSACASA-N 1 0 276.149 2.101 10 0 CEAERO CC(C)c1ccc([C@@H](O)C[NH2+]C[C@H](C)CCO)cc1 ZINC000097441709 185605302 /nfs/dbraw/zinc/60/53/02/185605302.db2.gz MLYDAYZLKKCBAG-CJNGLKHVSA-N 1 0 265.397 2.452 10 0 CEAERO C[C@@H](CCO)Sc1ccc(C(N)=[NH2+])cc1Cl ZINC000085144166 178955592 /nfs/dbraw/zinc/95/55/92/178955592.db2.gz QWEPAJSENZKCRM-ZETCQYMHSA-N 1 0 258.774 2.487 10 0 CEAERO CCCn1ncc(OC)c1[C@H](CCCOCC)[NH2+]C ZINC000097450829 185608539 /nfs/dbraw/zinc/60/85/39/185608539.db2.gz HOGOENWNCJFZNV-LBPRGKRZSA-N 1 0 269.389 2.379 10 0 CEAERO C[NH2+][C@@H](CCSC)c1c(OC)cnn1C(C)C ZINC000097450301 185608963 /nfs/dbraw/zinc/60/89/63/185608963.db2.gz AUDGYYBMSBRBSM-JTQLQIEISA-N 1 0 257.403 2.486 10 0 CEAERO Cc1ccc([C@@H]([NH3+])c2c(Br)cnn2C)c(C)n1 ZINC000097461371 185610462 /nfs/dbraw/zinc/61/04/62/185610462.db2.gz NBQDLLMWGSYMLP-LLVKDONJSA-N 1 0 295.184 2.243 10 0 CEAERO CC[C@@H](OC)c1noc(C2CCC(C[NH3+])CC2)n1 ZINC000097468931 185611843 /nfs/dbraw/zinc/61/18/43/185611843.db2.gz GBHDTYMVTNWJBS-VQXHTEKXSA-N 1 0 253.346 2.400 10 0 CEAERO CC[C@@H](C)n1ccc(CN(C)CC[NH2+]C2CC2)n1 ZINC000085179876 178963370 /nfs/dbraw/zinc/96/33/70/178963370.db2.gz TZSWLXHNCYXWPN-GFCCVEGCSA-N 1 0 250.390 2.038 10 0 CEAERO CC[NH2+][C@](C)(CO)CCN(C)c1ccccc1F ZINC000085214791 178978485 /nfs/dbraw/zinc/97/84/85/178978485.db2.gz OCTVMAFLMOIDOZ-AWEZNQCLSA-N 1 0 254.349 2.013 10 0 CEAERO CCC[NH2+][C@](CO)(CN(CC(C)C)C1CC1)C1CC1 ZINC000085242520 178985159 /nfs/dbraw/zinc/98/51/59/178985159.db2.gz WZEJOUBNYKYJEK-INIZCTEOSA-N 1 0 268.445 2.248 10 0 CEAERO Cc1cc(N2CCOC[C@@H]2C)c([C@H](C)[NH3+])cc1F ZINC000094765709 136514607 /nfs/dbraw/zinc/51/46/07/136514607.db2.gz HMRSYONRURKXOP-QWRGUYRKSA-N 1 0 252.333 2.379 10 0 CEAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CC1CCOCC1 ZINC000178288082 232369952 /nfs/dbraw/zinc/36/99/52/232369952.db2.gz DQXLVCHZBKGMJG-OAHLLOKOSA-N 1 0 263.385 2.083 10 0 CEAERO CC[NH+](CC)C(C)(C)[C@H](Cc1ccccc1C)NN ZINC000097580785 185629587 /nfs/dbraw/zinc/62/95/87/185629587.db2.gz HBRUHMGNVAFTPY-HNNXBMFYSA-N 1 0 263.429 2.490 10 0 CEAERO CC[NH+](CC)C(C)(C)[C@@H](Cc1cccc(OC)c1)NN ZINC000097580992 185629828 /nfs/dbraw/zinc/62/98/28/185629828.db2.gz BCZZEOMVKNBZNG-OAHLLOKOSA-N 1 0 279.428 2.190 10 0 CEAERO CCCn1nccc1[C@H](NN)[C@@](C)(CC)[NH+]1CCCC1 ZINC000097584413 185631013 /nfs/dbraw/zinc/63/10/13/185631013.db2.gz ROJQDZOGPRWQBF-LSDHHAIUSA-N 1 0 279.432 2.062 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCNC1=O)c1ccc(F)c(Cl)c1 ZINC000179064819 232388217 /nfs/dbraw/zinc/38/82/17/232388217.db2.gz MMYRFQKYUYDUJQ-WRWORJQWSA-N 1 0 256.708 2.018 10 0 CEAERO COCCC[C@H](NN)C1([NH+]2CCCCC2)CCCC1 ZINC000097588682 185633692 /nfs/dbraw/zinc/63/36/92/185633692.db2.gz RGFQUOCYMSWROD-AWEZNQCLSA-N 1 0 269.433 2.044 10 0 CEAERO CC[NH+](CC)C1([C@H](Cc2nccs2)NN)CCCC1 ZINC000097588144 185633799 /nfs/dbraw/zinc/63/37/99/185633799.db2.gz AQFBFQGBLNAQPB-LBPRGKRZSA-N 1 0 282.457 2.172 10 0 CEAERO C[NH+](C)C1([C@H](Cc2nccs2)NN)CCCCCC1 ZINC000097591527 185635033 /nfs/dbraw/zinc/63/50/33/185635033.db2.gz RGLSRWVIGOXNON-LBPRGKRZSA-N 1 0 282.457 2.172 10 0 CEAERO CCOc1ccccc1OCCCC[C@](C)([NH3+])CO ZINC000085283798 179001666 /nfs/dbraw/zinc/00/16/66/179001666.db2.gz LITNBCKCIPYWAT-HNNXBMFYSA-N 1 0 267.369 2.344 10 0 CEAERO CCC[NH2+][C@@](C)(CO)C[C@@H](C)n1ccnc1CC ZINC000085264543 178994889 /nfs/dbraw/zinc/99/48/89/178994889.db2.gz PSBTVLNLMRJZAH-TZMCWYRMSA-N 1 0 253.390 2.147 10 0 CEAERO CCC[NH2+][C@@H](CO)CCOc1cccc(OCC)c1 ZINC000085264922 178995425 /nfs/dbraw/zinc/99/54/25/178995425.db2.gz XLQUZMUUXBGUOW-CYBMUJFWSA-N 1 0 267.369 2.215 10 0 CEAERO CCCc1ccc(OC[C@@](C)(CO)[NH2+]CC)cc1 ZINC000085265084 178995431 /nfs/dbraw/zinc/99/54/31/178995431.db2.gz AAVMKBKNUYKUKY-OAHLLOKOSA-N 1 0 251.370 2.378 10 0 CEAERO CC(C)OCCOCCCC[C@](C)(CO)[NH2+]C1CC1 ZINC000085270279 178998597 /nfs/dbraw/zinc/99/85/97/178998597.db2.gz DKWMNZGPCGIOOY-OAHLLOKOSA-N 1 0 273.417 2.101 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)C[C@@H](C)OC[C@@H]1CCCCO1 ZINC000085269957 178998648 /nfs/dbraw/zinc/99/86/48/178998648.db2.gz VAMAWKRYLLUSOC-ILXRZTDVSA-N 1 0 273.417 2.100 10 0 CEAERO CC[NH2+][C@](C)(CO)CCCOc1ccccc1OC ZINC000085285389 179003684 /nfs/dbraw/zinc/00/36/84/179003684.db2.gz BGPPXMVPCSCAOB-HNNXBMFYSA-N 1 0 267.369 2.215 10 0 CEAERO CC[NH2+][C@](C)(CO)COc1c(C)ccc(C)c1C ZINC000085286241 179004170 /nfs/dbraw/zinc/00/41/70/179004170.db2.gz BCXCMSWCVWBICI-OAHLLOKOSA-N 1 0 251.370 2.351 10 0 CEAERO COc1cccc(S[C@@H](C)C[C@](C)([NH3+])CO)c1 ZINC000085291086 179006827 /nfs/dbraw/zinc/00/68/27/179006827.db2.gz AQZDFAOGQWQISR-GWCFXTLKSA-N 1 0 255.383 2.276 10 0 CEAERO COc1ccc(S[C@H](C)C[C@@](C)([NH3+])CO)cc1 ZINC000085291863 179007404 /nfs/dbraw/zinc/00/74/04/179007404.db2.gz VPXAYIQIARDSDF-ZWNOBZJWSA-N 1 0 255.383 2.276 10 0 CEAERO [NH3+][C@@](CO)(CSc1ccccn1)c1ccccc1 ZINC000085292025 179007867 /nfs/dbraw/zinc/00/78/67/179007867.db2.gz KLNQDUANOPMLHX-AWEZNQCLSA-N 1 0 260.362 2.020 10 0 CEAERO [NH3+][C@@](CO)(CSc1ccc(F)cc1F)C1CC1 ZINC000085298284 179009433 /nfs/dbraw/zinc/00/94/33/179009433.db2.gz DFWFRZIBQXNNEK-LBPRGKRZSA-N 1 0 259.321 2.157 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)CCOc1ccc(F)cc1 ZINC000085285157 179002868 /nfs/dbraw/zinc/00/28/68/179002868.db2.gz DJSBRMLHCKFYAV-CQSZACIVSA-N 1 0 255.333 2.344 10 0 CEAERO Cc1cccc(N(C)CCCC[C@@](C)(O)C[NH3+])c1 ZINC000085303460 179010751 /nfs/dbraw/zinc/01/07/51/179010751.db2.gz LJLKTJMHHZZVOF-OAHLLOKOSA-N 1 0 250.386 2.311 10 0 CEAERO C[C@H](C[C@](C)(O)C[NH3+])n1cc(-c2ccccc2)cn1 ZINC000085304456 179011409 /nfs/dbraw/zinc/01/14/09/179011409.db2.gz WXFWGOKXGRHYDW-DOMZBBRYSA-N 1 0 259.353 2.211 10 0 CEAERO CCc1nc2ccccc2n1[C@@H](C)C[C@](C)(O)C[NH3+] ZINC000085304532 179011418 /nfs/dbraw/zinc/01/14/18/179011418.db2.gz KDSXEKGFWZTMEV-NHYWBVRUSA-N 1 0 261.369 2.260 10 0 CEAERO C[C@@H]1CCC[C@H](OC[C@@](O)(C[NH3+])c2ccccc2)C1 ZINC000085305553 179011999 /nfs/dbraw/zinc/01/19/99/179011999.db2.gz WUXZMJWYVLYKQI-KBMXLJTQSA-N 1 0 263.381 2.428 10 0 CEAERO Cc1nc2ccccc2n1CCCC[C@](C)(O)C[NH3+] ZINC000085304611 179012100 /nfs/dbraw/zinc/01/21/00/179012100.db2.gz GXLMQHZRQJOHIP-HNNXBMFYSA-N 1 0 261.369 2.225 10 0 CEAERO C[C@H](C[NH3+])SCc1noc(-c2ccsc2)n1 ZINC000085308264 179013227 /nfs/dbraw/zinc/01/32/27/179013227.db2.gz APWLYDCDBDEETD-SSDOTTSWSA-N 1 0 255.368 2.379 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1ccc(F)c(F)c1F ZINC000085355905 179030317 /nfs/dbraw/zinc/03/03/17/179030317.db2.gz QVZKYRTXTFUKCJ-HTRCEHHLSA-N 1 0 258.243 2.170 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000085355489 179030332 /nfs/dbraw/zinc/03/03/32/179030332.db2.gz NIKDSZAYGLSTBM-KGLIPLIRSA-N 1 0 264.344 2.002 10 0 CEAERO CN(Cc1ccc(F)cc1)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085358728 179031246 /nfs/dbraw/zinc/03/12/46/179031246.db2.gz VUWSYCQEUCCDLX-ZIAGYGMSSA-N 1 0 264.344 2.302 10 0 CEAERO CC(C)[C@@H](C)NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000085358496 179031416 /nfs/dbraw/zinc/03/14/16/179031416.db2.gz PNHUEMARYIJJBK-VXGBXAGGSA-N 1 0 257.422 2.306 10 0 CEAERO CN(CCCc1ccccc1)C(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085358986 179031529 /nfs/dbraw/zinc/03/15/29/179031529.db2.gz XQOJZBVRAGIWJB-LSDHHAIUSA-N 1 0 260.381 2.205 10 0 CEAERO CC(=O)Nc1ccc(C)c(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000085359594 179031811 /nfs/dbraw/zinc/03/18/11/179031811.db2.gz WLVNYRVSVSFZCA-KBPBESRZSA-N 1 0 289.379 2.409 10 0 CEAERO Cc1cc(N(C)C)ccc1NC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085360276 179032379 /nfs/dbraw/zinc/03/23/79/179032379.db2.gz NPDMTKZFDWETJD-STQMWFEESA-N 1 0 261.369 2.127 10 0 CEAERO CC(C)OC(=O)c1ccc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000085360923 179033035 /nfs/dbraw/zinc/03/30/35/179033035.db2.gz SBOHSIPDCQZJPC-ZIAGYGMSSA-N 1 0 290.363 2.318 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000085362899 179034273 /nfs/dbraw/zinc/03/42/73/179034273.db2.gz RCZXGSKGPWNRQH-HXFJTEJXSA-N 1 0 276.424 2.445 10 0 CEAERO CCOc1cc(F)ccc1NC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085364415 179035560 /nfs/dbraw/zinc/03/55/60/179035560.db2.gz QUDAPJKZYDZYDT-WDEREUQCSA-N 1 0 266.316 2.290 10 0 CEAERO COc1ccc2nc(NC(=O)[C@H]3CCC[C@H]3[NH3+])sc2c1 ZINC000085356425 179030101 /nfs/dbraw/zinc/03/01/01/179030101.db2.gz RCXHHPXSVPUSST-VHSXEESVSA-N 1 0 291.376 2.371 10 0 CEAERO COc1ccc(NC(=O)[C@H]2CCC[C@H]2[NH3+])cc1Cl ZINC000085355454 179030198 /nfs/dbraw/zinc/03/01/98/179030198.db2.gz UDMMGXOHNNCURB-GXSJLCMTSA-N 1 0 268.744 2.415 10 0 CEAERO CCc1nc2cc(NC(=O)[C@H]3CCC[C@H]3[NH3+])ccc2o1 ZINC000085366304 179037120 /nfs/dbraw/zinc/03/71/20/179037120.db2.gz IYXDLMOPBUPGFT-WDEREUQCSA-N 1 0 273.336 2.456 10 0 CEAERO COc1ccc(CN(C)C(=O)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000085366432 179037237 /nfs/dbraw/zinc/03/72/37/179037237.db2.gz PZTCIEFWYVTVJL-LSDHHAIUSA-N 1 0 276.380 2.171 10 0 CEAERO Cc1cc(C)cc(OCCN(C)C(=O)[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000085367351 179037700 /nfs/dbraw/zinc/03/77/00/179037700.db2.gz HWYHTKMHINXGRQ-HZPDHXFCSA-N 1 0 290.407 2.268 10 0 CEAERO Cc1ccc(CN(C(=O)[C@H]2CCC[C@H]2[NH3+])C(C)C)o1 ZINC000085368833 179038732 /nfs/dbraw/zinc/03/87/32/179038732.db2.gz DHVHAHPWBJWPNR-UONOGXRCSA-N 1 0 264.369 2.452 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)NCc1nc2ccccc2s1 ZINC000085370857 179041123 /nfs/dbraw/zinc/04/11/23/179041123.db2.gz VQCNFTWBIGDCQI-UWVGGRQHSA-N 1 0 275.377 2.040 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)NCCc1ccc(OC(F)F)cc1 ZINC000085371302 179041191 /nfs/dbraw/zinc/04/11/91/179041191.db2.gz KTBUSAHNYAZSET-CHWSQXEVSA-N 1 0 298.333 2.074 10 0 CEAERO COc1ccc(C)cc1CN(C)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085371898 179041785 /nfs/dbraw/zinc/04/17/85/179041785.db2.gz MGGNSKXPJXVEAX-LSDHHAIUSA-N 1 0 290.407 2.480 10 0 CEAERO CCN(C(=O)[C@H]1CCC[C@@H]1[NH3+])c1ccccc1F ZINC000085373617 179042923 /nfs/dbraw/zinc/04/29/23/179042923.db2.gz GHWMORMSCUWPOJ-JQWIXIFHSA-N 1 0 250.317 2.306 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)Nc1ccc2ncccc2c1 ZINC000085374257 179043398 /nfs/dbraw/zinc/04/33/98/179043398.db2.gz RZIFCCIKVOJAHU-OLZOCXBDSA-N 1 0 255.321 2.301 10 0 CEAERO C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085374760 179043519 /nfs/dbraw/zinc/04/35/19/179043519.db2.gz RJAKDQJTUHVOCG-YUELXQCFSA-N 1 0 260.381 2.251 10 0 CEAERO CCOc1cccc(CNC(=O)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000085365161 179036293 /nfs/dbraw/zinc/03/62/93/179036293.db2.gz FOZSEEDMESYRCX-HUUCEWRRSA-N 1 0 276.380 2.219 10 0 CEAERO COCCOc1cc(C)ccc1NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085365976 179036355 /nfs/dbraw/zinc/03/63/55/179036355.db2.gz VUYJLWOQRZAUDL-OLZOCXBDSA-N 1 0 292.379 2.086 10 0 CEAERO Cc1cc(OC(C)C)ccc1NC(=O)[C@H]1CC[NH2+]C1 ZINC000062114408 362707605 /nfs/dbraw/zinc/70/76/05/362707605.db2.gz WLWVQSWLRVTXBA-LBPRGKRZSA-N 1 0 262.353 2.330 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000062116203 362708387 /nfs/dbraw/zinc/70/83/87/362708387.db2.gz QTSVRJUJYPBGAB-MWLCHTKSSA-N 1 0 252.745 2.127 10 0 CEAERO CC(C)n1ccc(CN2CC[NH2+][C@H](C(C)(C)C)C2)n1 ZINC000085434965 179061379 /nfs/dbraw/zinc/06/13/79/179061379.db2.gz QBDOONQAXCSHEB-AWEZNQCLSA-N 1 0 264.417 2.284 10 0 CEAERO CNC(=O)[C@@H](C)[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000085433752 179061467 /nfs/dbraw/zinc/06/14/67/179061467.db2.gz BUURZEFDUCJVSH-RKDXNWHRSA-N 1 0 263.366 2.081 10 0 CEAERO c1ccc(OCCCN2CC[NH2+][C@@H](C3CC3)C2)cc1 ZINC000085434890 179061473 /nfs/dbraw/zinc/06/14/73/179061473.db2.gz JZAAOSQLCBBJRY-MRXNPFEDSA-N 1 0 260.381 2.139 10 0 CEAERO CC(C)OCCN1CC[NH2+][C@@](C)(c2ccccc2)C1 ZINC000085435472 179062402 /nfs/dbraw/zinc/06/24/02/179062402.db2.gz BDHWCNJIBWRKCW-MRXNPFEDSA-N 1 0 262.397 2.232 10 0 CEAERO C[C@@]1(c2ccccc2)C[NH2+]CCN1CC(F)(F)F ZINC000085452645 179066364 /nfs/dbraw/zinc/06/63/64/179066364.db2.gz LMIMKYXEXBKNEK-LBPRGKRZSA-N 1 0 258.287 2.369 10 0 CEAERO CC(C)n1ccc(CN2CC[NH2+]C[C@H]2C(C)(C)C)n1 ZINC000085451691 179066383 /nfs/dbraw/zinc/06/63/83/179066383.db2.gz STMRTPKLGBCLSA-AWEZNQCLSA-N 1 0 264.417 2.284 10 0 CEAERO CCn1cc(CN2C[C@H](C)[NH2+]C[C@@H]2C(C)(C)C)cn1 ZINC000085454772 179067671 /nfs/dbraw/zinc/06/76/71/179067671.db2.gz GQNYNPWMEINPTH-GXTWGEPZSA-N 1 0 264.417 2.111 10 0 CEAERO CCCNc1[nH+]c(C)nc(N[C@H](CO)C(C)C)c1C ZINC000128406419 187368117 /nfs/dbraw/zinc/36/81/17/187368117.db2.gz LYACBTQOWHJLEX-GFCCVEGCSA-N 1 0 266.389 2.344 10 0 CEAERO CC(C)C[C@@H]1C[NH2+][C@H](C)CN1CCOCC(F)(F)F ZINC000085454824 179068066 /nfs/dbraw/zinc/06/80/66/179068066.db2.gz LBGIEZBPVCYLJU-VXGBXAGGSA-N 1 0 282.350 2.274 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@H](CC)CN1C[C@@H]1CCCCO1 ZINC000085472708 179077115 /nfs/dbraw/zinc/07/71/15/179077115.db2.gz JOSAPIMPZSEQEO-ZNMIVQPWSA-N 1 0 254.418 2.408 10 0 CEAERO CC[C@@H]1C[N@H+](C[C@@H]2CCOC2)C2(CCCC2)CN1 ZINC000085474879 179078710 /nfs/dbraw/zinc/07/87/10/179078710.db2.gz OOLUYTBXTQWRSI-UONOGXRCSA-N 1 0 252.402 2.020 10 0 CEAERO CC(C)OCC[N@@H+]1CC(C)(C)NC[C@@]1(C)C1CC1 ZINC000085471538 179075879 /nfs/dbraw/zinc/07/58/79/179075879.db2.gz UZTJZPSXDJACMH-HNNXBMFYSA-N 1 0 254.418 2.264 10 0 CEAERO CC1(C)C[N@H+](C[C@H]2CCOC2)C2(CCCC2)CN1 ZINC000085471475 179076031 /nfs/dbraw/zinc/07/60/31/179076031.db2.gz DIKMSRWEPJKOFO-CYBMUJFWSA-N 1 0 252.402 2.020 10 0 CEAERO CCOC(=O)c1ccc(NC[C@@H]([NH3+])c2ccccc2)nc1 ZINC000062838598 362724362 /nfs/dbraw/zinc/72/43/62/362724362.db2.gz PMVCKHDSNQTCAW-CQSZACIVSA-N 1 0 285.347 2.370 10 0 CEAERO CC1(C)C[NH2+]C2(CCCCC2)CN1[C@H]1CCOC1 ZINC000085503473 179084775 /nfs/dbraw/zinc/08/47/75/179084775.db2.gz AZLUCTJJJXHLSM-ZDUSSCGKSA-N 1 0 252.402 2.162 10 0 CEAERO C[C@@H]1CN[C@@H](c2ccccc2)C[N@@H+]1CCCn1ccnc1 ZINC000085504281 179084910 /nfs/dbraw/zinc/08/49/10/179084910.db2.gz FCCLBVGNOXKQSH-NVXWUHKLSA-N 1 0 284.407 2.308 10 0 CEAERO CC[C@H](C)[C@@H]1CN[C@@](C)(C2CC2)C[N@@H+]1CCn1cccn1 ZINC000085512779 179086234 /nfs/dbraw/zinc/08/62/34/179086234.db2.gz XXEBCAYXRJLPGF-BHYGNILZSA-N 1 0 290.455 2.372 10 0 CEAERO CC(C)C[C@@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1cnn(C)c1 ZINC000085513468 179086285 /nfs/dbraw/zinc/08/62/85/179086285.db2.gz YEVMMONIRDEQFR-SJORKVTESA-N 1 0 290.455 2.409 10 0 CEAERO CC(C)[C@@H]1CN[C@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085512265 179086734 /nfs/dbraw/zinc/08/67/34/179086734.db2.gz IRLAFZJSIIZGRP-JYJNAYRXSA-N 1 0 266.429 2.264 10 0 CEAERO CCOCCN1C[C@](C)(C2CC2)[NH2+]C[C@@]1(C)CC ZINC000085514820 179086973 /nfs/dbraw/zinc/08/69/73/179086973.db2.gz PGRHRNKTEWIXCJ-HUUCEWRRSA-N 1 0 254.418 2.266 10 0 CEAERO CCC[C@@H]1C[NH2+]C(CC)(CC)CN1CCOCCOC ZINC000085517794 179087687 /nfs/dbraw/zinc/08/76/87/179087687.db2.gz WFHVZHXUEYXLMK-OAHLLOKOSA-N 1 0 286.460 2.282 10 0 CEAERO CCC1(CC)C[N@H+](C[C@@H]2CCOC2)C(C)(C)CN1 ZINC000085520007 179087794 /nfs/dbraw/zinc/08/77/94/179087794.db2.gz MLQMGFBEBZIOJB-ZDUSSCGKSA-N 1 0 254.418 2.266 10 0 CEAERO CCC[C@H]1C[NH2+]C(CC)(CC)CN1[C@@H]1CCOC1 ZINC000085517756 179088005 /nfs/dbraw/zinc/08/80/05/179088005.db2.gz PWKNEHLTKKBRKR-UONOGXRCSA-N 1 0 254.418 2.408 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@H](C2CC2)CN1CCOC(C)C ZINC000085523155 179088420 /nfs/dbraw/zinc/08/84/20/179088420.db2.gz ZUWLCBRTQYRMPB-HUUCEWRRSA-N 1 0 254.418 2.264 10 0 CEAERO CC[C@]1(C)CN(CCn2ccnc2C)C(C)(C)C[NH2+]1 ZINC000085496402 179082827 /nfs/dbraw/zinc/08/28/27/179082827.db2.gz NNFABEHAWBLIGG-OAHLLOKOSA-N 1 0 264.417 2.044 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](c2ccccc2)CN1Cc1ncccn1 ZINC000085505239 179084675 /nfs/dbraw/zinc/08/46/75/179084675.db2.gz XNIYCOAWKJYXFR-JKSUJKDBSA-N 1 0 282.391 2.402 10 0 CEAERO C[C@@H]([NH2+][C@@H](CO)c1ccccc1)C(=O)NC1CCCCC1 ZINC000063002830 362742843 /nfs/dbraw/zinc/74/28/43/362742843.db2.gz LIHOLCFZSLEKRD-CJNGLKHVSA-N 1 0 290.407 2.147 10 0 CEAERO CCC[C@H]1C[NH2+][C@@H](C2CC2)CN1Cc1ccccn1 ZINC000085523496 179088824 /nfs/dbraw/zinc/08/88/24/179088824.db2.gz ZAULLFZXYPMGIM-JKSUJKDBSA-N 1 0 259.397 2.434 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@H](C2CC2)CN1CCOC(C)C ZINC000085528177 179090139 /nfs/dbraw/zinc/09/01/39/179090139.db2.gz KNNJHEBUDLZTOO-GJZGRUSLSA-N 1 0 254.418 2.264 10 0 CEAERO CC1(C)C[NH2+][C@@H](C2CC2)CN1CCCOCC(F)(F)F ZINC000085527947 179090614 /nfs/dbraw/zinc/09/06/14/179090614.db2.gz UOUIHCDYJQDCLT-GFCCVEGCSA-N 1 0 294.361 2.418 10 0 CEAERO CC[C@]1(C)C[NH2+][C@H](C2CC2)CN1Cc1ccccn1 ZINC000085528416 179090915 /nfs/dbraw/zinc/09/09/15/179090915.db2.gz ICJAQLOHMZJNSK-JKSUJKDBSA-N 1 0 259.397 2.434 10 0 CEAERO CCn1cc(CN2C[C@@H](C3CC3)[NH2+]CC23CCCC3)cn1 ZINC000085529117 179090918 /nfs/dbraw/zinc/09/09/18/179090918.db2.gz YPRHYUKKPJXKIE-INIZCTEOSA-N 1 0 288.439 2.400 10 0 CEAERO CC(C)C1CCC(C[NH2+][C@@H]2CCCNC2=O)CC1 ZINC000336790610 365812282 /nfs/dbraw/zinc/81/22/82/365812282.db2.gz XMIXKFYGQUTVQD-JXQTWKCFSA-N 1 0 252.402 2.317 10 0 CEAERO Cc1nn(C)c(Oc2cc(C)ccc2F)c1C(N)=[NH2+] ZINC000085556204 179093892 /nfs/dbraw/zinc/09/38/92/179093892.db2.gz SPOSWZZPWRZBRY-UHFFFAOYSA-N 1 0 262.288 2.252 10 0 CEAERO CC(C)(C)c1nc2c(n1C[C@@H]1CCCO1)CC[NH2+]C2 ZINC000085568249 179095204 /nfs/dbraw/zinc/09/52/04/179095204.db2.gz PDQIDPVQDQYPSE-NSHDSACASA-N 1 0 263.385 2.005 10 0 CEAERO CCC(CC)NC(=O)[C@H](C)[NH2+][C@@H](CO)c1ccccc1 ZINC000063002800 362741159 /nfs/dbraw/zinc/74/11/59/362741159.db2.gz SBWRDHXJCBMYCH-WFASDCNBSA-N 1 0 278.396 2.003 10 0 CEAERO COCC[N@@H+]1C[C@@](C)(c2ccccc2)NCC[C@@H]1C ZINC000085625942 179107219 /nfs/dbraw/zinc/10/72/19/179107219.db2.gz GEMHMMGDAMEMCT-HOCLYGCPSA-N 1 0 262.397 2.232 10 0 CEAERO CCc1nc2c(n1-c1ccccc1COC)CC[NH2+]C2 ZINC000085573909 179099630 /nfs/dbraw/zinc/09/96/30/179099630.db2.gz GUXHCYPSSGXNSE-UHFFFAOYSA-N 1 0 271.364 2.227 10 0 CEAERO c1ccc(C[C@H]2CN(Cc3ccncc3)CCC[NH2+]2)cc1 ZINC000085608809 179101835 /nfs/dbraw/zinc/10/18/35/179101835.db2.gz UYLXUDFCVMSJTM-SFHVURJKSA-N 1 0 281.403 2.488 10 0 CEAERO Cc1sc2nc(C)nc(N3CC[C@H](C[NH3+])C3)c2c1C ZINC000261587238 282483621 /nfs/dbraw/zinc/48/36/21/282483621.db2.gz JKBIJIHBHJATFU-LLVKDONJSA-N 1 0 276.409 2.402 10 0 CEAERO CCC[C@H]1CN(Cc2ccn(C(C)C)n2)CCC[NH2+]1 ZINC000085612249 179103034 /nfs/dbraw/zinc/10/30/34/179103034.db2.gz CDHYCSOAPLURHC-AWEZNQCLSA-N 1 0 264.417 2.428 10 0 CEAERO COc1ccc(CN2C[C@H](C)[NH2+]CC[C@@H]2C)cc1F ZINC000085620711 179105239 /nfs/dbraw/zinc/10/52/39/179105239.db2.gz XKRWAIDOSAPOIQ-RYUDHWBXSA-N 1 0 266.360 2.407 10 0 CEAERO C[C@@H]1CC[NH2+]CCN1Cc1ccc2ccccc2n1 ZINC000085622313 179106188 /nfs/dbraw/zinc/10/61/88/179106188.db2.gz RCSXZDQWTUWTIF-CYBMUJFWSA-N 1 0 255.365 2.419 10 0 CEAERO C[C@@H]1CC[NH2+][C@H](C2CC2)CN1CCOCC(F)(F)F ZINC000085626269 179106501 /nfs/dbraw/zinc/10/65/01/179106501.db2.gz OVFZBXPXQRQYQS-PWSUYJOCSA-N 1 0 280.334 2.028 10 0 CEAERO CC(C)C[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N(C)C ZINC000085631010 179107689 /nfs/dbraw/zinc/10/76/89/179107689.db2.gz PPAAMOXWTUWCAX-BARDWOONSA-N 1 0 268.445 2.366 10 0 CEAERO COCC[NH2+][C@@H](CO)c1ccc(Br)c(C)c1 ZINC000085708076 179122989 /nfs/dbraw/zinc/12/29/89/179122989.db2.gz SVSVMDTUKOONJF-LBPRGKRZSA-N 1 0 288.185 2.027 10 0 CEAERO Cc1cc([C@H]2[C@@H]([NH3+])CCN2C)ccc1Br ZINC000085708665 179123029 /nfs/dbraw/zinc/12/30/29/179123029.db2.gz ZVAXKPRZSVSWNQ-RYUDHWBXSA-N 1 0 269.186 2.461 10 0 CEAERO C[C@H]([NH3+])Cc1cc(F)ccc1N1CCOC(C)(C)C1 ZINC000111494872 136562641 /nfs/dbraw/zinc/56/26/41/136562641.db2.gz KBFJQHKGTSYBRT-NSHDSACASA-N 1 0 266.360 2.331 10 0 CEAERO C[C@@H]([NH3+])Cc1cc(F)ccc1N1CCOCC1(C)C ZINC000111507706 136562901 /nfs/dbraw/zinc/56/29/01/136562901.db2.gz PFVUXXMFIHLMBP-LLVKDONJSA-N 1 0 266.360 2.331 10 0 CEAERO Cc1nc(NC(=O)CCCC[NH3+])ccc1Br ZINC000085729072 179132096 /nfs/dbraw/zinc/13/20/96/179132096.db2.gz IPLNJFQSWOQNNR-UHFFFAOYSA-N 1 0 286.173 2.220 10 0 CEAERO C[NH2+][C@@H](Cc1cc(Br)ccc1F)CN(C)C ZINC000085798629 179173198 /nfs/dbraw/zinc/17/31/98/179173198.db2.gz DGHOICVDEICGGV-NSHDSACASA-N 1 0 289.192 2.280 10 0 CEAERO C[C@H]([NH3+])[C@H]1CCCN(c2ncnc3ccsc32)C1 ZINC000070175119 136708684 /nfs/dbraw/zinc/70/86/84/136708684.db2.gz YSPFNQMZMGFTRO-UWVGGRQHSA-N 1 0 262.382 2.255 10 0 CEAERO [NH3+][C@]1(C(=O)N2CCC[C@H]2c2ccccc2Cl)CCOC1 ZINC000085877989 179194875 /nfs/dbraw/zinc/19/48/75/179194875.db2.gz ITHOMBFBSVWSIU-DZGCQCFKSA-N 1 0 294.782 2.121 10 0 CEAERO CCCCCN(CCCCC)C(=O)[C@]1([NH3+])CCOC1 ZINC000085877531 179194983 /nfs/dbraw/zinc/19/49/83/179194983.db2.gz GRWMIUCAFXZDRB-HNNXBMFYSA-N 1 0 270.417 2.313 10 0 CEAERO C[C@@H](C[NH3+])[C@@](C)(O)c1cccc(Br)c1 ZINC000085899439 179195918 /nfs/dbraw/zinc/19/59/18/179195918.db2.gz OKJBQZIZRGQIMH-GZMMTYOYSA-N 1 0 258.159 2.251 10 0 CEAERO COc1cc(C(=O)NC[C@@H]2CCCC[C@H]2[NH3+])ccc1C ZINC000085965091 179205136 /nfs/dbraw/zinc/20/51/36/179205136.db2.gz VJMNLYGMVSEMTB-UONOGXRCSA-N 1 0 276.380 2.251 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1CNC(=O)c1c(F)cccc1F ZINC000085965482 179205349 /nfs/dbraw/zinc/20/53/49/179205349.db2.gz QNABIBJFVBPOBX-BXKDBHETSA-N 1 0 268.307 2.212 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1CNC(=O)c1ccc2ncccc2c1 ZINC000085965887 179205427 /nfs/dbraw/zinc/20/54/27/179205427.db2.gz KOWFBPCTLGBWBH-GJZGRUSLSA-N 1 0 283.375 2.482 10 0 CEAERO Cc1cccc(OCCC(=O)NC[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000085963798 179205476 /nfs/dbraw/zinc/20/54/76/179205476.db2.gz TZOSEHFKWYRZSM-HOCLYGCPSA-N 1 0 290.407 2.398 10 0 CEAERO CO[C@H](C(=O)NC[C@H]1CCCC[C@@H]1[NH3+])c1ccccc1 ZINC000085965743 179205560 /nfs/dbraw/zinc/20/55/60/179205560.db2.gz NCBQEQJECLHLJY-ILXRZTDVSA-N 1 0 276.380 2.008 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1CNC(=O)c1cccc2cccnc21 ZINC000085966484 179206057 /nfs/dbraw/zinc/20/60/57/179206057.db2.gz DPCAHCJZJBYFTB-HIFRSBDPSA-N 1 0 283.375 2.482 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1CNC(=O)c1cccc(F)c1F ZINC000085966871 179206090 /nfs/dbraw/zinc/20/60/90/179206090.db2.gz XTSCAGPXGYZXPG-JOYOIKCWSA-N 1 0 268.307 2.212 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1CNC(=O)NC1CCCCC1 ZINC000085970256 179206419 /nfs/dbraw/zinc/20/64/19/179206419.db2.gz IYEGGNQRVXJIPT-YPMHNXCESA-N 1 0 253.390 2.136 10 0 CEAERO Cc1ccc(CC(=O)NC[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000085968282 179206632 /nfs/dbraw/zinc/20/66/32/179206632.db2.gz OEOKVJOADOYLEQ-GJZGRUSLSA-N 1 0 260.381 2.171 10 0 CEAERO C[NH2+][C@H](CCO)COc1cc(C)ccc1C(C)C ZINC000085924367 179201297 /nfs/dbraw/zinc/20/12/97/179201297.db2.gz OXIBBYMANRDVLZ-CYBMUJFWSA-N 1 0 251.370 2.468 10 0 CEAERO CCC[NH2+][C@@H](CCO)C[S@](=O)c1ccc(C)c(C)c1 ZINC000085926506 179202360 /nfs/dbraw/zinc/20/23/60/179202360.db2.gz YGGNWRYOIUYVRP-IFXJQAMLSA-N 1 0 283.437 2.162 10 0 CEAERO [NH3+]Cc1nnc(SC/C(Cl)=C/Cl)n1C1CC1 ZINC000086000323 179214642 /nfs/dbraw/zinc/21/46/42/179214642.db2.gz PFIDRZNJGPYGQZ-UTCJRWHESA-N 1 0 279.196 2.483 10 0 CEAERO COC(=O)[C@H](C[NH2+]C[C@H]1CCCC[C@@H]1O)c1ccccc1 ZINC000085985641 179211450 /nfs/dbraw/zinc/21/14/50/179211450.db2.gz WFLFUKTTXJYFSB-OAGGEKHMSA-N 1 0 291.391 2.084 10 0 CEAERO O=C(C[NH2+]C[C@@H]1CCCC[C@@H]1O)Nc1ccc(Cl)cc1 ZINC000085987014 179212043 /nfs/dbraw/zinc/21/20/43/179212043.db2.gz FVTNMHFTFZOIBA-FZMZJTMJSA-N 1 0 296.798 2.419 10 0 CEAERO Cc1ccnc(-n2cccc2[C@H]2[NH2+]CCc3nc[nH]c32)c1 ZINC000065385411 362814009 /nfs/dbraw/zinc/81/40/09/362814009.db2.gz DOHQTTRNRNIOGN-MRXNPFEDSA-N 1 0 279.347 2.139 10 0 CEAERO C[C@@H](O)CC[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000085990755 179213775 /nfs/dbraw/zinc/21/37/75/179213775.db2.gz JZEXKJVYICRSQN-WBMJQRKESA-N 1 0 259.349 2.234 10 0 CEAERO Cc1ccnc(-n2cccc2[C@@H]2[NH2+]CCc3nc[nH]c32)c1 ZINC000065385412 362814052 /nfs/dbraw/zinc/81/40/52/362814052.db2.gz DOHQTTRNRNIOGN-INIZCTEOSA-N 1 0 279.347 2.139 10 0 CEAERO CC[NH2+][C@@H]1CC[C@@H](S(=O)(=O)c2ccccc2OC)[C@@H]1C ZINC000086042002 179222922 /nfs/dbraw/zinc/22/29/22/179222922.db2.gz BRMLBGOXGQWBMV-YRGRVCCFSA-N 1 0 297.420 2.246 10 0 CEAERO CC[NH2+][C@H]1CC[C@H](S(=O)(=O)c2ccccc2OC)[C@@H]1C ZINC000086042001 179222967 /nfs/dbraw/zinc/22/29/67/179222967.db2.gz BRMLBGOXGQWBMV-DYEKYZERSA-N 1 0 297.420 2.246 10 0 CEAERO CC[NH2+][C@H]1CC[C@@H](S(=O)(=O)c2ccccc2OC)[C@@H]1C ZINC000086042005 179223103 /nfs/dbraw/zinc/22/31/03/179223103.db2.gz BRMLBGOXGQWBMV-MBNYWOFBSA-N 1 0 297.420 2.246 10 0 CEAERO C[C@@H]1CC[C@@H](NC(=O)[C@@H]([NH3+])Cc2ccccc2)[C@@H]1C ZINC000086076483 179225944 /nfs/dbraw/zinc/22/59/44/179225944.db2.gz LUTGZTCGWDFWGE-RJZRQDKASA-N 1 0 260.381 2.107 10 0 CEAERO C[C@@H]1CC[C@@H]([NH2+]CC(=O)NCc2ccccc2)[C@@H]1C ZINC000086076227 179225976 /nfs/dbraw/zinc/22/59/76/179225976.db2.gz LOTWTCQJUWZXOR-UMVBOHGHSA-N 1 0 260.381 2.327 10 0 CEAERO CC[NH2+][C@H](c1ccc(OC)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000086021027 179218540 /nfs/dbraw/zinc/21/85/40/179218540.db2.gz ISLNSUVFZPUKAN-WFASDCNBSA-N 1 0 297.420 2.089 10 0 CEAERO CC[NH2+][C@@H](c1cc(C)sc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000086021208 179219022 /nfs/dbraw/zinc/21/90/22/179219022.db2.gz QAPJYSRNYVXPEH-DGCLKSJQSA-N 1 0 287.450 2.450 10 0 CEAERO CC[NH2+][C@@H](Cc1ccc(C)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000086026798 179219818 /nfs/dbraw/zinc/21/98/18/179219818.db2.gz UHIVIIMXGYXAAL-HOTGVXAUSA-N 1 0 295.448 2.259 10 0 CEAERO C[C@H]1[C@H]([NH3+])CC[C@@H]1S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000086040976 179221966 /nfs/dbraw/zinc/22/19/66/179221966.db2.gz GCJNWQYRMLPABG-VQISRLSMSA-N 1 0 279.405 2.075 10 0 CEAERO Cc1ccc(S(=O)(=O)[C@@H]2CC[C@@H]([NH3+])[C@@H]2C)cc1C ZINC000086040526 179222090 /nfs/dbraw/zinc/22/20/90/179222090.db2.gz DUNFCNJZAVDWHU-IACUBPJLSA-N 1 0 267.394 2.203 10 0 CEAERO Nc1cc[nH+]cc1C[C@@H](O)c1ccc(Cl)cc1N ZINC000086112258 179233493 /nfs/dbraw/zinc/23/34/93/179233493.db2.gz PICXPUFIGJGANT-CYBMUJFWSA-N 1 0 263.728 2.176 10 0 CEAERO C[C@]1(c2ccccc2)C[N@H+](C[C@@H]2CCCOC2)CCN1 ZINC000086146230 179238558 /nfs/dbraw/zinc/23/85/58/179238558.db2.gz IPQUXDNUXRKWDI-DOTOQJQBSA-N 1 0 274.408 2.234 10 0 CEAERO CC(C)CN(Cc1cccc(NN)[nH+]1)CC(C)C ZINC000086115808 179233938 /nfs/dbraw/zinc/23/39/38/179233938.db2.gz BRKZJBKQNSEVAC-UHFFFAOYSA-N 1 0 250.390 2.481 10 0 CEAERO CC[C@@](C[NH3+])(C1CC1)N(C)Cc1scnc1C ZINC000086120827 179234750 /nfs/dbraw/zinc/23/47/50/179234750.db2.gz XHZZUIXMIBKHGN-CYBMUJFWSA-N 1 0 253.415 2.401 10 0 CEAERO Cc1cc2ccccc2n1CC[NH2+][C@H](C)Cn1cncn1 ZINC000065508066 362828573 /nfs/dbraw/zinc/82/85/73/362828573.db2.gz LULNBIXKIOJJJH-CYBMUJFWSA-N 1 0 283.379 2.220 10 0 CEAERO CC[C@@]1(C)CN(CCc2ccccc2F)CC[NH2+]1 ZINC000086124307 179236157 /nfs/dbraw/zinc/23/61/57/179236157.db2.gz VKFJPIZSAFCOTB-HNNXBMFYSA-N 1 0 250.361 2.442 10 0 CEAERO c1coc(CC[N@@H+]2CCN[C@@H](c3ccccc3)C2)c1 ZINC000086142812 179237415 /nfs/dbraw/zinc/23/74/15/179237415.db2.gz ZYGXOESBUHRPAF-MRXNPFEDSA-N 1 0 256.349 2.469 10 0 CEAERO CC[C@H](C)[C@H]1CN(Cc2nc(C)cs2)CC[NH2+]1 ZINC000086144303 179237518 /nfs/dbraw/zinc/23/75/18/179237518.db2.gz BSSMUWQJXFDVMK-CMPLNLGQSA-N 1 0 253.415 2.271 10 0 CEAERO C[C@@H]1[C@@H](C)CC[C@@H]1NC(=O)CC1CCC([NH3+])CC1 ZINC000086082261 179228051 /nfs/dbraw/zinc/22/80/51/179228051.db2.gz DZXUFRAUCHROCY-OESUJAFSSA-N 1 0 252.402 2.445 10 0 CEAERO C[C@@H]1[C@@H](C)CC[C@@H]1NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000086082257 179228547 /nfs/dbraw/zinc/22/85/47/179228547.db2.gz IUASWUYLKIRQTH-NDKCEZKHSA-N 1 0 252.402 2.445 10 0 CEAERO CC[C@@H]1CC[C@H](NC(=O)[C@@H]2CCCCC[NH2+]2)[C@@H]1C ZINC000086093929 179228738 /nfs/dbraw/zinc/22/87/38/179228738.db2.gz WZFJHULKNAQDBO-MQYQWHSLSA-N 1 0 252.402 2.460 10 0 CEAERO CC[C@@H]1CC[C@H]([NH2+]Cc2cnc(N(C)C)n2C)[C@@H]1C ZINC000086091900 179228819 /nfs/dbraw/zinc/22/88/19/179228819.db2.gz VEOUUEDAOYHTHJ-BZPMIXESSA-N 1 0 264.417 2.400 10 0 CEAERO CC[C@@H]1CC[C@H](NC(=O)[C@@H]2CC23CC[NH2+]CC3)[C@@H]1C ZINC000086094480 179228953 /nfs/dbraw/zinc/22/89/53/179228953.db2.gz WTLMSSSSXSYCQA-MQYQWHSLSA-N 1 0 264.413 2.317 10 0 CEAERO C[NH+](C)C[C@@H]1CCN(CCC(=O)OCc2ccccc2)C1 ZINC000128496932 187374646 /nfs/dbraw/zinc/37/46/46/187374646.db2.gz PZRIMJMREYLXJR-INIZCTEOSA-N 1 0 290.407 2.003 10 0 CEAERO CC[C@@H]1CC[C@H]([NH2+]CC(=O)N(CC)C2CC2)[C@@H]1C ZINC000086096282 179229516 /nfs/dbraw/zinc/22/95/16/179229516.db2.gz YEZBIWMLYHGRMP-BZPMIXESSA-N 1 0 252.402 2.412 10 0 CEAERO Cc1ncsc1CN1CC[NH2+][C@@](C)(C2CC2)C1 ZINC000086149030 179239951 /nfs/dbraw/zinc/23/99/51/179239951.db2.gz SZVCOIQNXRXSCY-CYBMUJFWSA-N 1 0 251.399 2.025 10 0 CEAERO c1nc(CN2CC[NH2+][C@@H](C3CCCCC3)C2)cs1 ZINC000086149436 179240739 /nfs/dbraw/zinc/24/07/39/179240739.db2.gz DHSGRNPMMHYNLB-CQSZACIVSA-N 1 0 265.426 2.497 10 0 CEAERO CC[C@@H](C)[C@H]1CN([C@@H]2COc3ccccc32)CC[NH2+]1 ZINC000086150071 179240852 /nfs/dbraw/zinc/24/08/52/179240852.db2.gz INXRMGAHXNUSRZ-BPLDGKMQSA-N 1 0 260.381 2.440 10 0 CEAERO CCn1cc(N2C[C@@H](C(C)C)[NH2+]C[C@@H]2C(C)C)cn1 ZINC000086154317 179241497 /nfs/dbraw/zinc/24/14/97/179241497.db2.gz QCMQKNSGNOQJNT-LSDHHAIUSA-N 1 0 264.417 2.362 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C(C)C)CN1CCc1cccnc1 ZINC000086171876 179243121 /nfs/dbraw/zinc/24/31/21/179243121.db2.gz FPJANBHHRRPACN-JKSUJKDBSA-N 1 0 261.413 2.333 10 0 CEAERO CC(C)[C@@H]1C[N@H+](C[C@@H]2CCCOC2)[C@H](C(C)C)CN1 ZINC000086174003 179244570 /nfs/dbraw/zinc/24/45/70/179244570.db2.gz WDYXSBINXFNQIK-JYJNAYRXSA-N 1 0 268.445 2.367 10 0 CEAERO Cc1cc(CN2C[C@H](C(C)C)[NH2+]C[C@@H]2C(C)C)on1 ZINC000086174085 179245645 /nfs/dbraw/zinc/24/56/45/179245645.db2.gz HZOVLSPAISUQES-HUUCEWRRSA-N 1 0 265.401 2.437 10 0 CEAERO CC[C@H]1CN[C@@H](c2ccccc2)C[N@@H+]1[C@@H](C)COC ZINC000086179969 179246489 /nfs/dbraw/zinc/24/64/89/179246489.db2.gz CSTGADLCIBNKKT-CWRNSKLLSA-N 1 0 262.397 2.446 10 0 CEAERO CO[C@@H]1CCC[C@@H]1[N@@H+]1CCN[C@H](c2ccccc2)C1 ZINC000086146845 179239646 /nfs/dbraw/zinc/23/96/46/179239646.db2.gz KYVYUFLFMLPJPB-HRCADAONSA-N 1 0 260.381 2.200 10 0 CEAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1[nH]nc2ccccc21 ZINC000607168552 347511890 /nfs/dbraw/zinc/51/18/90/347511890.db2.gz BKWCGSGMGZLQJP-NHYWBVRUSA-N 1 0 259.353 2.204 10 0 CEAERO CC(C)[C@H]1C[NH2+][C@@H](C2CC2)CN1CCc1ccncc1 ZINC000086223317 179251462 /nfs/dbraw/zinc/25/14/62/179251462.db2.gz AUEAKYFMFOFNTP-IAGOWNOFSA-N 1 0 273.424 2.333 10 0 CEAERO CCN1CCC[C@@H]([NH2+]Cc2cnc(C(C)(C)C)nc2)C1 ZINC000336829962 365894064 /nfs/dbraw/zinc/89/40/64/365894064.db2.gz JNDMKLGGEYJMCF-CQSZACIVSA-N 1 0 276.428 2.348 10 0 CEAERO CCC1(CC)C[N@H+](C[C@@H]2CCCOC2)[C@@H](C)CN1 ZINC000086260124 179259403 /nfs/dbraw/zinc/25/94/03/179259403.db2.gz JIVMCXHLYIUBOC-KBPBESRZSA-N 1 0 254.418 2.266 10 0 CEAERO Cc1cc(CN2C[C@@H](C(C)(C)C)[NH2+]C[C@@H]2C)no1 ZINC000086259838 179259577 /nfs/dbraw/zinc/25/95/77/179259577.db2.gz QEFYZRSZJFCDLI-GWCFXTLKSA-N 1 0 251.374 2.191 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C2CC2)CN1Cc1cccc(C)n1 ZINC000086261747 179259806 /nfs/dbraw/zinc/25/98/06/179259806.db2.gz RGQQUDPUUASEHU-CVEARBPZSA-N 1 0 259.397 2.352 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C2CC2)CN1C[C@@H]1Cc2ccccc2O1 ZINC000086261682 179260343 /nfs/dbraw/zinc/26/03/43/179260343.db2.gz HTWZPJIEOHWNBF-YESZJQIVSA-N 1 0 286.419 2.453 10 0 CEAERO C[C@H]1C[NH2+][C@@](C)(c2ccccc2)CN1Cc1nccn1C ZINC000086264854 179260928 /nfs/dbraw/zinc/26/09/28/179260928.db2.gz BBSYSHODQRVALB-WMLDXEAASA-N 1 0 284.407 2.129 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C2CC2)CN1CCc1nc(C)cs1 ZINC000086264223 179261115 /nfs/dbraw/zinc/26/11/15/179261115.db2.gz WTPYSMSINPJQSD-ZIAGYGMSSA-N 1 0 279.453 2.456 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C2CC2)CN1c1cnn(C(C)C)c1 ZINC000086263481 179261187 /nfs/dbraw/zinc/26/11/87/179261187.db2.gz QGVZCNXDGBIERF-UKRRQHHQSA-N 1 0 262.401 2.431 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C2CC2)CN1Cc1ncccc1C ZINC000086264928 179261251 /nfs/dbraw/zinc/26/12/51/179261251.db2.gz PWZSEQTVVPEYQA-HOCLYGCPSA-N 1 0 259.397 2.352 10 0 CEAERO CC[C@H]1CN(Cc2ccnc(OC)c2)[C@@H](CC)C[NH2+]1 ZINC000086263868 179261325 /nfs/dbraw/zinc/26/13/25/179261325.db2.gz JUUYCLZNFPLIMT-KBPBESRZSA-N 1 0 263.385 2.053 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](C2CC2)CN1CCOC1CCCC1 ZINC000086265709 179261879 /nfs/dbraw/zinc/26/18/79/179261879.db2.gz MACSWUXNACLEAS-IUODEOHRSA-N 1 0 252.402 2.018 10 0 CEAERO CSC[C@H](C)C[N@@H+]1C[C@@](C)(C2CC2)NC[C@@H]1C ZINC000086266376 179261897 /nfs/dbraw/zinc/26/18/97/179261897.db2.gz PJPGZVONAMTYMH-DYEKYZERSA-N 1 0 256.459 2.448 10 0 CEAERO C[C@H]1C[NH2+][C@@H](C2CCCCC2)CN1[C@@H]1CCCOC1 ZINC000086265186 179261948 /nfs/dbraw/zinc/26/19/48/179261948.db2.gz QNAREQUOSLRGQP-NUEKZKHPSA-N 1 0 266.429 2.408 10 0 CEAERO CC(C)[C@H]1CNC2(CCCC2)C[N@@H+]1[C@@H]1CCCOC1 ZINC000086265252 179262052 /nfs/dbraw/zinc/26/20/52/179262052.db2.gz BBXJXJSDXZVUHB-HUUCEWRRSA-N 1 0 266.429 2.408 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C2CC2)CN1CCOC1CCCC1 ZINC000086265675 179262500 /nfs/dbraw/zinc/26/25/00/179262500.db2.gz FJBATFAKGZHABY-ZBFHGGJFSA-N 1 0 266.429 2.408 10 0 CEAERO CCC[NH+]1CCN(c2nc(Br)cs2)CC1 ZINC000086278931 179263026 /nfs/dbraw/zinc/26/30/26/179263026.db2.gz HWVMVYIXCYWRDI-UHFFFAOYSA-N 1 0 290.230 2.438 10 0 CEAERO C[C@@H]1CN(c2nc(Br)cs2)C[C@@H](C)[NH2+]1 ZINC000086278406 179263051 /nfs/dbraw/zinc/26/30/51/179263051.db2.gz FUPPPKNCKXZBDL-RNFRBKRXSA-N 1 0 276.203 2.092 10 0 CEAERO COCc1cccc(N2CCC[NH2+][C@@H](C3CC3)C2)c1 ZINC000086289612 179264404 /nfs/dbraw/zinc/26/44/04/179264404.db2.gz ZDQJFLCWUIKHAG-MRXNPFEDSA-N 1 0 260.381 2.411 10 0 CEAERO CC[C@]1(C)CN(Cc2nc(C)cs2)CCC[NH2+]1 ZINC000086290048 179264849 /nfs/dbraw/zinc/26/48/49/179264849.db2.gz FKWBCRGQLWZRRS-CYBMUJFWSA-N 1 0 253.415 2.416 10 0 CEAERO COCCN1CCC[C@H]([NH3+])[C@@H]1c1ccc2ccccc2n1 ZINC000086317490 179270248 /nfs/dbraw/zinc/27/02/48/179270248.db2.gz BOHCGXUGIXHHFU-WMLDXEAASA-N 1 0 285.391 2.345 10 0 CEAERO CN1C(=O)CCC[C@H]([NH3+])[C@@H]1c1ccc2ccccc2n1 ZINC000086317420 179270525 /nfs/dbraw/zinc/27/05/25/179270525.db2.gz JNYCWOVONSPKGI-BLLLJJGKSA-N 1 0 269.348 2.246 10 0 CEAERO [NH3+]C[C@@H]1OCCN(C2CC2)[C@@H]1c1ccc2ccccc2n1 ZINC000086317400 179270539 /nfs/dbraw/zinc/27/05/39/179270539.db2.gz DGPUOVVIKJRWBF-DLBZAZTESA-N 1 0 283.375 2.098 10 0 CEAERO CC[C@@H]1CN(c2ccc(F)cc2OC)CCC[NH2+]1 ZINC000086290813 179265805 /nfs/dbraw/zinc/26/58/05/179265805.db2.gz AUAIFHJOWSSZRE-GFCCVEGCSA-N 1 0 252.333 2.413 10 0 CEAERO CC[C@H](C)[C@@H]1CN(CCc2nccs2)CCC[NH2+]1 ZINC000086296825 179267980 /nfs/dbraw/zinc/26/79/80/179267980.db2.gz NTUXZXOPSKHQPJ-STQMWFEESA-N 1 0 267.442 2.396 10 0 CEAERO COc1cc(CN2CCC[NH2+][C@H](C(C)(C)C)C2)ccn1 ZINC000086296359 179268321 /nfs/dbraw/zinc/26/83/21/179268321.db2.gz HBGLVQAQMRHCGX-AWEZNQCLSA-N 1 0 277.412 2.300 10 0 CEAERO c1ccc2c(c1)C[C@H](CN1CCC[NH2+][C@H](C3CC3)C1)O2 ZINC000086293893 179268410 /nfs/dbraw/zinc/26/84/10/179268410.db2.gz LKWMCGZHPCFKKJ-CVEARBPZSA-N 1 0 272.392 2.064 10 0 CEAERO CCc1ccc([C@@H](C)[NH2+]CCN2C(=O)CCC2=O)cc1 ZINC000129944079 365910799 /nfs/dbraw/zinc/91/07/99/365910799.db2.gz IVRMSZWANONZSX-GFCCVEGCSA-N 1 0 274.364 2.049 10 0 CEAERO CCN(CCOC)[C@H](C[NH3+])c1cc(Cl)cs1 ZINC000086333295 179273860 /nfs/dbraw/zinc/27/38/60/179273860.db2.gz BRRBSEVQLGJNHG-SNVBAGLBSA-N 1 0 262.806 2.370 10 0 CEAERO C[NH2+][C@H]1CCCc2sc(N(C)C[C@@H]3CCCO3)nc21 ZINC000086443536 179293908 /nfs/dbraw/zinc/29/39/08/179293908.db2.gz RWESDBPDWHPKRP-QWRGUYRKSA-N 1 0 281.425 2.355 10 0 CEAERO CC[C@H]1CN(C(=O)c2ccc(F)cc2)[C@@H](CC)C[NH2+]1 ZINC000086446414 179294767 /nfs/dbraw/zinc/29/47/67/179294767.db2.gz PJMRTAHKBAKTFE-KBPBESRZSA-N 1 0 264.344 2.428 10 0 CEAERO CC(C)(C)[NH+]1CCN(c2nc3c(s2)CCC[C@@H]3O)CC1 ZINC000086444672 179294892 /nfs/dbraw/zinc/29/48/92/179294892.db2.gz IKUXDSZDKRZBGL-NSHDSACASA-N 1 0 295.452 2.433 10 0 CEAERO CC[C@H]1CN(C(=O)c2cccc(OC)c2O)[C@@H](CC)C[NH2+]1 ZINC000086445971 179295053 /nfs/dbraw/zinc/29/50/53/179295053.db2.gz QXHSZNOKVKKVBZ-RYUDHWBXSA-N 1 0 292.379 2.003 10 0 CEAERO CC[C@H]1CN(C(=O)c2scnc2C)[C@@H](CC)C[NH2+]1 ZINC000086448149 179295684 /nfs/dbraw/zinc/29/56/84/179295684.db2.gz ZGKQUMOEDDPVJN-QWRGUYRKSA-N 1 0 267.398 2.054 10 0 CEAERO CCC([NH3+])(CC)CNc1cc(OC(C)C)ncn1 ZINC000130056683 365919603 /nfs/dbraw/zinc/91/96/03/365919603.db2.gz FYEKZSXLWQRRQY-UHFFFAOYSA-N 1 0 252.362 2.193 10 0 CEAERO Cn1ccnc1C[C@H]([NH3+])c1ccccc1Br ZINC000086486116 179301579 /nfs/dbraw/zinc/30/15/79/179301579.db2.gz JCQYQHUUUILNRY-NSHDSACASA-N 1 0 280.169 2.425 10 0 CEAERO C[C@@]([NH3+])(c1nc([C@H]2Cc3ccccc32)no1)C1CC1 ZINC000086486400 179301961 /nfs/dbraw/zinc/30/19/61/179301961.db2.gz SQCFOGXSGLWXJN-WFASDCNBSA-N 1 0 255.321 2.342 10 0 CEAERO CC(C)([NH3+])CCc1nc([C@@H]2Cc3ccccc32)no1 ZINC000086486520 179301963 /nfs/dbraw/zinc/30/19/63/179301963.db2.gz QDLNFLRONXMPQD-GFCCVEGCSA-N 1 0 257.337 2.428 10 0 CEAERO CC[C@@]1(c2nc([C@@H]3Cc4ccccc43)no2)CC[NH2+]C1 ZINC000086486347 179301975 /nfs/dbraw/zinc/30/19/75/179301975.db2.gz BJBYZOZKCCYQRH-CZUORRHYSA-N 1 0 269.348 2.399 10 0 CEAERO NNc1[nH+]c([C@H]2Cc3ccccc32)nc2c1CCCC2 ZINC000086490644 179302579 /nfs/dbraw/zinc/30/25/79/179302579.db2.gz REDSNUHBAFIALL-ZDUSSCGKSA-N 1 0 266.348 2.329 10 0 CEAERO C[C@@]1(C(=O)N2CCC3(CCC3)CC2)CCCC[NH2+]1 ZINC000308697248 539577656 /nfs/dbraw/zinc/57/76/56/539577656.db2.gz NOIMSILYHLDQRU-AWEZNQCLSA-N 1 0 250.386 2.311 10 0 CEAERO CCN1C(=[NH2+])NC[C@@]1(C)c1ccc(Br)cc1 ZINC000086459508 179296183 /nfs/dbraw/zinc/29/61/83/179296183.db2.gz MPCQCARUDWXZAE-LBPRGKRZSA-N 1 0 282.185 2.315 10 0 CEAERO CN1C(=[NH2+])NC[C@@]1(C)c1ccc(F)c(Br)c1 ZINC000086458576 179296324 /nfs/dbraw/zinc/29/63/24/179296324.db2.gz QFJJMQDYVOHQFE-NSHDSACASA-N 1 0 286.148 2.064 10 0 CEAERO CC[C@@H]1CN(Cc2cccc(C(=O)OC)c2)[C@@H](CC)C[NH2+]1 ZINC000086464690 179296957 /nfs/dbraw/zinc/29/69/57/179296957.db2.gz TWVCRWCFOLXVPG-CVEARBPZSA-N 1 0 290.407 2.436 10 0 CEAERO CC[C@@H]1CN(Cc2ccc(C(=O)OC)o2)[C@@H](CC)C[NH2+]1 ZINC000086464855 179297270 /nfs/dbraw/zinc/29/72/70/179297270.db2.gz BBIAZIMHXNQWMA-NEPJUHHUSA-N 1 0 280.368 2.029 10 0 CEAERO C[C@H](C[NH3+])CN1CCN(C(=O)C2CCCCCCC2)CC1 ZINC000086577489 179308505 /nfs/dbraw/zinc/30/85/05/179308505.db2.gz BMXAOCFUNRREBS-OAHLLOKOSA-N 1 0 295.471 2.086 10 0 CEAERO COc1ccc(C[C@H]([NH3+])[C@@H](C)OC)cc1Br ZINC000086576511 179308723 /nfs/dbraw/zinc/30/87/23/179308723.db2.gz XUXFCCNIDJNHPC-KCJUWKMLSA-N 1 0 288.185 2.362 10 0 CEAERO COc1ccc([C@H]2[C@H](C[NH3+])CCN2C)cc1Cl ZINC000086584782 179309439 /nfs/dbraw/zinc/30/94/39/179309439.db2.gz NMHSFPWZQZWGGK-GWCFXTLKSA-N 1 0 254.761 2.300 10 0 CEAERO COc1ccc([C@H]2[C@H]([NH3+])CCCN2C)cc1Cl ZINC000086585142 179310324 /nfs/dbraw/zinc/31/03/24/179310324.db2.gz KNYVELSKVAMFQS-YPMHNXCESA-N 1 0 254.761 2.443 10 0 CEAERO Cc1nc(Sc2cccc(C[NH3+])n2)nc(C)c1C ZINC000086644096 179315634 /nfs/dbraw/zinc/31/56/34/179315634.db2.gz FFRLZILICUQKIU-UHFFFAOYSA-N 1 0 260.366 2.407 10 0 CEAERO COC[C@H]([NH2+][C@H](C)c1c(C)nn(C)c1C)C(C)C ZINC000086695238 179320528 /nfs/dbraw/zinc/32/05/28/179320528.db2.gz ULXLYOUZWLPOKP-MFKMUULPSA-N 1 0 253.390 2.359 10 0 CEAERO O[C@]1(Cc2cc(F)cc(Br)c2)CCC[NH2+]C1 ZINC000086695471 179320866 /nfs/dbraw/zinc/32/08/66/179320866.db2.gz HIRHFEORZNCUEP-LBPRGKRZSA-N 1 0 288.160 2.245 10 0 CEAERO O[C@@]1(Cc2cc(F)cc(Br)c2)CCC[NH2+]C1 ZINC000086695469 179321129 /nfs/dbraw/zinc/32/11/29/179321129.db2.gz HIRHFEORZNCUEP-GFCCVEGCSA-N 1 0 288.160 2.245 10 0 CEAERO Cc1cc(Br)cnc1N(C)[C@@H](C)CC[NH3+] ZINC000086707001 179321986 /nfs/dbraw/zinc/32/19/86/179321986.db2.gz RNCLKOJGQQMLJU-VIFPVBQESA-N 1 0 272.190 2.326 10 0 CEAERO C[NH2+][C@@](C)(CO)C[C@H](C)Sc1nc(C)c(C)c(C)n1 ZINC000086646840 179316485 /nfs/dbraw/zinc/31/64/85/179316485.db2.gz ZEEQNLBRRQCZJV-LKFCYVNXSA-N 1 0 283.441 2.243 10 0 CEAERO CCCc1nsc(N2CCC([NH2+]CC3CC3)CC2)n1 ZINC000130256088 365936910 /nfs/dbraw/zinc/93/69/10/365936910.db2.gz BBVOPYSOADMVHC-UHFFFAOYSA-N 1 0 280.441 2.459 10 0 CEAERO C[C@@H]1CCC[C@]1(C[NH3+])N1CCOc2ccccc2C1 ZINC000086677259 179319056 /nfs/dbraw/zinc/31/90/56/179319056.db2.gz QFFQRUVLQIRTLU-CZUORRHYSA-N 1 0 260.381 2.399 10 0 CEAERO Cc1cccc(CC[NH2+][C@@H]2CCC[C@@H]2S(C)(=O)=O)c1 ZINC000086675836 179319285 /nfs/dbraw/zinc/31/92/85/179319285.db2.gz DGHKEQNESBOHND-CABCVRRESA-N 1 0 281.421 2.093 10 0 CEAERO CCC(CC)[NH+]1CCC([N@@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000086776263 179328518 /nfs/dbraw/zinc/32/85/18/179328518.db2.gz TVIDRBZPGXQCJU-CQSZACIVSA-N 1 0 268.401 2.188 10 0 CEAERO Cc1nccn1CCO[C@]1(C[NH3+])CCC[C@H](C)C1 ZINC000086713099 179322613 /nfs/dbraw/zinc/32/26/13/179322613.db2.gz NROKQHFCSLZLRY-GXTWGEPZSA-N 1 0 251.374 2.116 10 0 CEAERO CCN(C)C(=O)COC1(C[NH3+])CCC(C(C)(C)C)CC1 ZINC000086713632 179322670 /nfs/dbraw/zinc/32/26/70/179322670.db2.gz FSGQLDGLAFRWMT-UHFFFAOYSA-N 1 0 284.444 2.415 10 0 CEAERO COC(=O)c1ccccc1N[C@@H]1CCC[N@H+](C)CC1 ZINC000086817488 179344951 /nfs/dbraw/zinc/34/49/51/179344951.db2.gz PVRFDSXHAMVCES-GFCCVEGCSA-N 1 0 262.353 2.369 10 0 CEAERO COc1ccc(OC)c([C@]2(O)CCC[N@H+](C)CC2)c1 ZINC000086834128 179350719 /nfs/dbraw/zinc/35/07/19/179350719.db2.gz OCJRFGCSUUDWBD-HNNXBMFYSA-N 1 0 265.353 2.007 10 0 CEAERO CC[N@@H+]1CCC[C@@](Nc2ccc(C)cc2)(C(N)=O)CC1 ZINC000086849306 179357664 /nfs/dbraw/zinc/35/76/64/179357664.db2.gz MHHDZXXCQABGBA-INIZCTEOSA-N 1 0 275.396 2.137 10 0 CEAERO CC[N@@H+]1CCC[C@@H](N[C@@H](CC(C)C)C(=O)OC)CC1 ZINC000086838334 179351743 /nfs/dbraw/zinc/35/17/43/179351743.db2.gz PDROHIBODOXPMU-KGLIPLIRSA-N 1 0 270.417 2.038 10 0 CEAERO CC[N@@H+]1CCC[C@H]([NH+]2CCCCC[C@@H]2C(=O)[O-])CC1 ZINC000086869319 179361404 /nfs/dbraw/zinc/36/14/04/179361404.db2.gz FOQDKDUPEFFPTI-UONOGXRCSA-N 1 0 268.401 2.190 10 0 CEAERO CC[C@H](c1nc(Cc2ccccn2)no1)[C@@H](C)[NH2+]C ZINC000104062978 185890147 /nfs/dbraw/zinc/89/01/47/185890147.db2.gz HRDLCMXHTMNHQO-PWSUYJOCSA-N 1 0 260.341 2.157 10 0 CEAERO CC[N@@H+]1CCC[C@@](Nc2ccccc2C)(C(N)=O)CC1 ZINC000086849329 179358245 /nfs/dbraw/zinc/35/82/45/179358245.db2.gz INUVFRZAOXYBLP-INIZCTEOSA-N 1 0 275.396 2.137 10 0 CEAERO CCOC(=O)[C@]1(NCC2CC2)CCC[N@@H+](C(C)C)CC1 ZINC000086850347 179358519 /nfs/dbraw/zinc/35/85/19/179358519.db2.gz LHRCNDNQGMJVNZ-INIZCTEOSA-N 1 0 282.428 2.182 10 0 CEAERO CCC[N@@H+]1CCC[C@@](NC2CCCC2)(C(=O)OC)CC1 ZINC000086850378 179358587 /nfs/dbraw/zinc/35/85/87/179358587.db2.gz JTQRGLPCXKMJRE-INIZCTEOSA-N 1 0 282.428 2.326 10 0 CEAERO CC[C@H]1CCCC[C@]1([NH3+])CCCS(=O)(=O)CC ZINC000086977460 179372372 /nfs/dbraw/zinc/37/23/72/179372372.db2.gz CGKKJWUCCVHRMZ-STQMWFEESA-N 1 0 261.431 2.499 10 0 CEAERO CCS(=O)(=O)CCC[C@@H](Cc1cccc(OC)c1)[NH2+]C ZINC000086979017 179372416 /nfs/dbraw/zinc/37/24/16/179372416.db2.gz XVCIFYGITIIULU-AWEZNQCLSA-N 1 0 299.436 2.041 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH3+])CCc1ccccc1 ZINC000086979035 179372510 /nfs/dbraw/zinc/37/25/10/179372510.db2.gz JMABTILJBDAXAX-AWEZNQCLSA-N 1 0 269.410 2.161 10 0 CEAERO CCS(=O)(=O)CCC[C@H](CCOc1ccccc1)[NH2+]C ZINC000086978385 179372693 /nfs/dbraw/zinc/37/26/93/179372693.db2.gz DJQKNPGTSWZGSD-CQSZACIVSA-N 1 0 299.436 2.258 10 0 CEAERO CCS(=O)(=O)CCCOc1ccc(C)cc1C[C@H](C)[NH3+] ZINC000086980086 179372875 /nfs/dbraw/zinc/37/28/75/179372875.db2.gz YHPZJPSGFHVOAX-ZDUSSCGKSA-N 1 0 299.436 2.088 10 0 CEAERO CC[C@@H](C[NH3+])c1nc([C@H]2CSCCS2)no1 ZINC000086981550 179372905 /nfs/dbraw/zinc/37/29/05/179372905.db2.gz CRDKSONOIVNULI-JGVFFNPUSA-N 1 0 259.400 2.043 10 0 CEAERO CCn1ccnc1[C@H]([NH2+]C)[C@H]1CSCCS1 ZINC000086984937 179374006 /nfs/dbraw/zinc/37/40/06/179374006.db2.gz ABKQEHLXULYSLG-NXEZZACHSA-N 1 0 257.428 2.012 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH3+])Cc1cccc(C)c1 ZINC000086979148 179373383 /nfs/dbraw/zinc/37/33/83/179373383.db2.gz IATIXLVBHDUAFS-AWEZNQCLSA-N 1 0 269.410 2.080 10 0 CEAERO CN(c1cccc(F)c1)[C@]1(C[NH3+])CCCOCC1 ZINC000086875585 179365418 /nfs/dbraw/zinc/36/54/18/179365418.db2.gz LJFLWDGBBWCYGF-CQSZACIVSA-N 1 0 252.333 2.160 10 0 CEAERO CCN(CC)CC[NH2+][C@]1(CO)CCC[C@@H](C)CC1 ZINC000086892961 179366496 /nfs/dbraw/zinc/36/64/96/179366496.db2.gz NKFOTTROGOCXQP-HUUCEWRRSA-N 1 0 256.434 2.249 10 0 CEAERO C[NH2+][C@@H](Cc1nccs1)[C@H]1CSCCS1 ZINC000086984905 179373660 /nfs/dbraw/zinc/37/36/60/179373660.db2.gz JOAKLESPQUYJOB-DTWKUNHWSA-N 1 0 260.453 2.122 10 0 CEAERO CC1(C)CCC[C@](C[NH3+])(N2CCn3ccnc3C2)CC1 ZINC000086913318 179367259 /nfs/dbraw/zinc/36/72/59/179367259.db2.gz USENLFISJDBJFZ-INIZCTEOSA-N 1 0 276.428 2.387 10 0 CEAERO C[C@H]1C[C@](C[NH3+])(N(C)Cc2cccs2)CS1 ZINC000086936655 179368026 /nfs/dbraw/zinc/36/80/26/179368026.db2.gz VULDOCJGQNWHPW-CMPLNLGQSA-N 1 0 256.440 2.403 10 0 CEAERO CCC[C@H]1CCC[C@](C(=O)[O-])([N@@H+]2CCC[NH2+]CC2)CC1 ZINC000086949798 179368830 /nfs/dbraw/zinc/36/88/30/179368830.db2.gz QKIAOFNKCWZOGL-HOCLYGCPSA-N 1 0 282.428 2.486 10 0 CEAERO CCC[C@H]1CCC[C@](CO)([NH2+]CCN(C)C)CC1 ZINC000086952248 179368882 /nfs/dbraw/zinc/36/88/82/179368882.db2.gz ATFRPCCYEIIOFE-GJZGRUSLSA-N 1 0 256.434 2.249 10 0 CEAERO CCC[NH2+][C@@H](CCCOC)Cc1cnn(CC)c1 ZINC000086970951 179370464 /nfs/dbraw/zinc/37/04/64/179370464.db2.gz GYUZDGMIAVRXEF-AWEZNQCLSA-N 1 0 253.390 2.240 10 0 CEAERO CCCn1ccnc1[C@H]([NH3+])[C@@H]1CSCCS1 ZINC000086984267 179373731 /nfs/dbraw/zinc/37/37/31/179373731.db2.gz SMOOVMQMGMQIGM-VHSXEESVSA-N 1 0 257.428 2.142 10 0 CEAERO CCC[NH2+][C@H](C)[C@@H](C)c1nc(CCCOC)no1 ZINC000086971901 179370524 /nfs/dbraw/zinc/37/05/24/179370524.db2.gz MREGESAWAODQJD-GHMZBOCLSA-N 1 0 255.362 2.140 10 0 CEAERO COCCCc1noc([C@@H]2CCCCC[C@@H]2[NH3+])n1 ZINC000086971791 179370696 /nfs/dbraw/zinc/37/06/96/179370696.db2.gz IFFAUTCFHLVTDS-MNOVXSKESA-N 1 0 253.346 2.024 10 0 CEAERO CCS(=O)(=O)CCC[C@](C)([NH3+])Cc1ccccc1 ZINC000086977441 179372203 /nfs/dbraw/zinc/37/22/03/179372203.db2.gz ZNVDNFLRFBNFLY-AWEZNQCLSA-N 1 0 269.410 2.161 10 0 CEAERO CCC(O)(CC)C[NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000087015552 179379914 /nfs/dbraw/zinc/37/99/14/179379914.db2.gz VQRLRLXOMISGJC-SNVBAGLBSA-N 1 0 277.368 2.058 10 0 CEAERO C[C@@H]([NH2+]CC1(O)CCCC1)c1ccc(NC(N)=O)cc1 ZINC000087016762 179380508 /nfs/dbraw/zinc/38/05/08/179380508.db2.gz YZXJVMIKOXGNDE-LLVKDONJSA-N 1 0 277.368 2.133 10 0 CEAERO CC(C)[C@H](CC[NH3+])CCC(=O)NCC1(O)CCCCC1 ZINC000087027476 179381655 /nfs/dbraw/zinc/38/16/55/179381655.db2.gz WJQXFBUZEAGVEG-AWEZNQCLSA-N 1 0 284.444 2.199 10 0 CEAERO CC[C@@](C)(O)C[NH2+][C@H](C)C(=O)Nc1ccc(C)cc1 ZINC000087027809 179381740 /nfs/dbraw/zinc/38/17/40/179381740.db2.gz MLBCDVDRQNRMQA-IUODEOHRSA-N 1 0 264.369 2.073 10 0 CEAERO COCCN1CCCC[C@H]([NH3+])[C@@H]1c1ccc(OC)c(F)c1 ZINC000086995454 179376235 /nfs/dbraw/zinc/37/62/35/179376235.db2.gz WXYINOCMDHXTGN-HOCLYGCPSA-N 1 0 296.386 2.335 10 0 CEAERO COc1ccc(-c2nc(C3CC3)cc(NN)[nH+]2)cc1F ZINC000086994266 179376257 /nfs/dbraw/zinc/37/62/57/179376257.db2.gz OMJQTKVUZCPFSD-UHFFFAOYSA-N 1 0 274.299 2.454 10 0 CEAERO CCCCN(CC[NH3+])C(=O)c1c(F)cc(F)cc1F ZINC000086998918 179377739 /nfs/dbraw/zinc/37/77/39/179377739.db2.gz KNQPNFSFVUVAJP-UHFFFAOYSA-N 1 0 274.286 2.305 10 0 CEAERO [NH3+]CC1(NC(=O)c2c(F)cc(F)cc2F)CCCCC1 ZINC000086998944 179377845 /nfs/dbraw/zinc/37/78/45/179377845.db2.gz QJKREJATBFYOLI-UHFFFAOYSA-N 1 0 286.297 2.495 10 0 CEAERO CCC1CCC(O)(C[NH2+][C@H](C)c2nccn2C)CC1 ZINC000087053494 179389028 /nfs/dbraw/zinc/38/90/28/179389028.db2.gz KVVPRJOZUUKTJK-DNOWBOINSA-N 1 0 265.401 2.402 10 0 CEAERO CCC(O)(CC)C[NH2+]C[C@@H](O)CO[C@@H](C)c1ccccc1 ZINC000087028616 179382527 /nfs/dbraw/zinc/38/25/27/179382527.db2.gz WNNFKOKZSOEQLN-GOEBONIOSA-N 1 0 295.423 2.266 10 0 CEAERO CC[NH2+][C@H](CSC(C)C)Cc1cccnc1N ZINC000087113120 179395220 /nfs/dbraw/zinc/39/52/20/179395220.db2.gz RHBPERJRMMTDSN-LBPRGKRZSA-N 1 0 253.415 2.326 10 0 CEAERO CC1CCC(O)(C[NH2+]C[C@@H](O)c2cccs2)CC1 ZINC000087061774 179389689 /nfs/dbraw/zinc/38/96/89/179389689.db2.gz RFNQEOSTZLUFDW-MBHSVXNSSA-N 1 0 269.410 2.312 10 0 CEAERO CCC1CCC(O)(C[NH2+]CC(=O)NC2CCCCC2)CC1 ZINC000087066076 179389966 /nfs/dbraw/zinc/38/99/66/179389966.db2.gz BGSFAFBMACEAQI-UHFFFAOYSA-N 1 0 296.455 2.356 10 0 CEAERO Cc1sc2ncnc(N3CC[NH2+]CC3(C)C)c2c1C ZINC000104130526 185902159 /nfs/dbraw/zinc/90/21/59/185902159.db2.gz CSULWXFPDLECHI-UHFFFAOYSA-N 1 0 276.409 2.496 10 0 CEAERO [NH3+]CCc1ccc(C(=O)NCC2(O)CCCCCC2)cc1 ZINC000087089835 179393522 /nfs/dbraw/zinc/39/35/22/179393522.db2.gz BQHIOCZTDSIIHL-UHFFFAOYSA-N 1 0 290.407 2.003 10 0 CEAERO Cn1cc(C[C@@H]([NH3+])CSC2CCCCC2)cn1 ZINC000087149231 179397191 /nfs/dbraw/zinc/39/71/91/179397191.db2.gz SNNRHUXXDPJZRJ-GFCCVEGCSA-N 1 0 253.415 2.356 10 0 CEAERO CC[NH2+][C@H](COC)Cc1nc(CS[C@H](C)CC)no1 ZINC000087140986 179397405 /nfs/dbraw/zinc/39/74/05/179397405.db2.gz JMNJEOIULWUUEN-MNOVXSKESA-N 1 0 287.429 2.268 10 0 CEAERO CS(=O)(=O)CCC[C@@H]([NH3+])CSC1CCCCC1 ZINC000087149122 179397427 /nfs/dbraw/zinc/39/74/27/179397427.db2.gz FIRIPGQLYLPMKY-LLVKDONJSA-N 1 0 279.471 2.204 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH3+])CSC1CCCC1 ZINC000087143937 179397431 /nfs/dbraw/zinc/39/74/31/179397431.db2.gz OEZZGLVBQRIRPR-NSHDSACASA-N 1 0 279.471 2.204 10 0 CEAERO C[C@H](NC(=O)CC[C@H]1CCCO1)c1ccc(C[NH3+])cc1 ZINC000087204408 179401155 /nfs/dbraw/zinc/40/11/55/179401155.db2.gz XKRYMUBVRRYWBL-SWLSCSKDSA-N 1 0 276.380 2.282 10 0 CEAERO CCn1c2ccc([C@H]([NH3+])C[C@@H]3CCCO3)cc2oc1=O ZINC000087214904 179402526 /nfs/dbraw/zinc/40/25/26/179402526.db2.gz HJIMPEJHYBADFQ-NWDGAFQWSA-N 1 0 276.336 2.183 10 0 CEAERO C[C@H]([NH3+])Cc1cc2c(cc1OCC[C@H]1CCCO1)OCO2 ZINC000087272602 179406754 /nfs/dbraw/zinc/40/67/54/179406754.db2.gz HCSDNNJKNYCCRT-WCQYABFASA-N 1 0 293.363 2.253 10 0 CEAERO COCC[NH2+]Cc1ccnc(CSCC(C)C)n1 ZINC000087125393 179395987 /nfs/dbraw/zinc/39/59/87/179395987.db2.gz AJXXDDRJHVVLGR-UHFFFAOYSA-N 1 0 269.414 2.102 10 0 CEAERO CCC[C@H]([NH3+])c1cnc(NC(=O)C(C)(C)C)cn1 ZINC000067172096 362902893 /nfs/dbraw/zinc/90/28/93/362902893.db2.gz JJGISDLANCWICA-VIFPVBQESA-N 1 0 250.346 2.261 10 0 CEAERO [NH3+]C[C@H](c1cc(F)cc(F)c1)[C@@H](O)c1ccoc1 ZINC000087382168 179417638 /nfs/dbraw/zinc/41/76/38/179417638.db2.gz OXSKYYXZHXHTRS-OLZOCXBDSA-N 1 0 253.248 2.334 10 0 CEAERO Cc1ccc([C@H](C[NH3+])[C@H](O)c2ccncc2)cc1C ZINC000087382991 179418128 /nfs/dbraw/zinc/41/81/28/179418128.db2.gz LDTTZBXOPRJYGT-JKSUJKDBSA-N 1 0 256.349 2.474 10 0 CEAERO C[N@@H+]1CCCC[C@H]1CC[NH2+]C(C)(C)C(C)(C)C(=O)[O-] ZINC000087626662 179458565 /nfs/dbraw/zinc/45/85/65/179458565.db2.gz BEIRQMAWLGQRFJ-LBPRGKRZSA-N 1 0 270.417 2.340 10 0 CEAERO COCCN(Cc1ccccc1)C(=O)C(C)(C)C(C)(C)[NH3+] ZINC000087627868 179459300 /nfs/dbraw/zinc/45/93/00/179459300.db2.gz XLJAHLSLHQEQTC-UHFFFAOYSA-N 1 0 292.423 2.425 10 0 CEAERO COc1ccc(C[C@@H]([NH3+])C2CCOCC2)cc1F ZINC000087810941 179489535 /nfs/dbraw/zinc/48/95/35/179489535.db2.gz XLPZTLRFKLWKPV-CYBMUJFWSA-N 1 0 253.317 2.131 10 0 CEAERO CC(C)COCCCNC(=O)[C@@H](C)CCC[C@@H](C)[NH3+] ZINC000087684137 179470332 /nfs/dbraw/zinc/47/03/32/179470332.db2.gz QMJADIOTRLHIFF-UONOGXRCSA-N 1 0 272.433 2.319 10 0 CEAERO CCOC1CCN(C(=O)CCC(C)(C)CC[NH3+])CC1 ZINC000087698796 179472099 /nfs/dbraw/zinc/47/20/99/179472099.db2.gz MSRXDUWGCFRWMM-UHFFFAOYSA-N 1 0 270.417 2.169 10 0 CEAERO C[C@@H]([NH3+])CCC[C@@H](C)C(=O)NCCN(C)c1ccccc1 ZINC000087699345 179472894 /nfs/dbraw/zinc/47/28/94/179472894.db2.gz OCWVYYSVOUALQJ-HUUCEWRRSA-N 1 0 291.439 2.393 10 0 CEAERO CCC[NH2+][C@H](Cc1cnn(CC)c1)C1CCOCC1 ZINC000087812021 179490154 /nfs/dbraw/zinc/49/01/54/179490154.db2.gz VOUHEOCWOMPCKM-OAHLLOKOSA-N 1 0 265.401 2.240 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N(C)CCCc1ccccc1 ZINC000087516005 179437806 /nfs/dbraw/zinc/43/78/06/179437806.db2.gz PIQYYHUHTNDMEI-OAHLLOKOSA-N 1 0 262.397 2.453 10 0 CEAERO CC[C@H](C[NH3+])C(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000087517167 179438432 /nfs/dbraw/zinc/43/84/32/179438432.db2.gz VYDBTSKQFPXPSW-MRVPVSSYSA-N 1 0 284.743 2.035 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000087518277 179439164 /nfs/dbraw/zinc/43/91/64/179439164.db2.gz RDGRHTGPGSKDHA-MRVPVSSYSA-N 1 0 284.743 2.382 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)N(C)Cc1c(F)cccc1Cl ZINC000087524204 179440884 /nfs/dbraw/zinc/44/08/84/179440884.db2.gz AOBWKTOIHGUVKV-VIFPVBQESA-N 1 0 272.751 2.422 10 0 CEAERO Cc1cc(C(=O)N2CC[C@@H](C)[C@H]([NH3+])C2)sc1C ZINC000087568406 179446561 /nfs/dbraw/zinc/44/65/61/179446561.db2.gz PPKIPUXVPBENRW-LDYMZIIASA-N 1 0 252.383 2.174 10 0 CEAERO C[NH2+]C1(CC(=O)N(C)C[C@H]2CCCOC2)CCCCC1 ZINC000087577900 179449172 /nfs/dbraw/zinc/44/91/72/179449172.db2.gz RTIVDFIUBVSCMT-CQSZACIVSA-N 1 0 282.428 2.184 10 0 CEAERO CN(C)c1nnc(SCCCC(C)(C)C(N)=[NH2+])s1 ZINC000087611024 179454046 /nfs/dbraw/zinc/45/40/46/179454046.db2.gz FBJSJGGLVOPWPM-UHFFFAOYSA-N 1 0 287.458 2.439 10 0 CEAERO CC(C)(C)OC(=O)Nc1ccccc1[C@H]1C[NH2+]CCN1 ZINC000616628915 348540572 /nfs/dbraw/zinc/54/05/72/348540572.db2.gz GCYSUXPJWKTIAS-CYBMUJFWSA-N 1 0 277.368 2.268 10 0 CEAERO CCOC(=O)c1cccc([C@@H]2C[NH2+]CCN2C(C)C)c1 ZINC000616637502 348542963 /nfs/dbraw/zinc/54/29/63/348542963.db2.gz NXJREXNKXTYUPJ-HNNXBMFYSA-N 1 0 276.380 2.218 10 0 CEAERO c1nocc1[C@@H]1COCC[N@@H+](Cc2ccccc2)C1 ZINC000616659934 348552101 /nfs/dbraw/zinc/55/21/01/348552101.db2.gz KMEDVJNSQUJBBE-HNNXBMFYSA-N 1 0 258.321 2.291 10 0 CEAERO CCCCN(C)c1nc(CCC)[nH+]c(NN)c1C ZINC000087918777 179523482 /nfs/dbraw/zinc/52/34/82/179523482.db2.gz PHQAQXUCPFSSMC-UHFFFAOYSA-N 1 0 251.378 2.259 10 0 CEAERO CC(C)(C)OC(=O)Nc1ccccc1[C@@H]1C[NH2+]CCN1 ZINC000616651041 348547788 /nfs/dbraw/zinc/54/77/88/348547788.db2.gz GCYSUXPJWKTIAS-ZDUSSCGKSA-N 1 0 277.368 2.268 10 0 CEAERO CC[N@@H+]1CCCO[C@H](c2ccc3ccnnc3c2)C1 ZINC000616649855 348548008 /nfs/dbraw/zinc/54/80/08/348548008.db2.gz LUMIZUSQIAQZMQ-HNNXBMFYSA-N 1 0 257.337 2.413 10 0 CEAERO Nc1ccc([C@H]2C[N@H+](Cc3ccccc3)CCCO2)cn1 ZINC000616651499 348548389 /nfs/dbraw/zinc/54/83/89/348548389.db2.gz OQLNMOUFEKSYTH-MRXNPFEDSA-N 1 0 283.375 2.458 10 0 CEAERO CCS(=O)(=O)CCC[C@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000087932332 179526876 /nfs/dbraw/zinc/52/68/76/179526876.db2.gz NCGDEKPCMCDMHQ-CHWSQXEVSA-N 1 0 261.431 2.357 10 0 CEAERO c1cnn([C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000616651132 348548578 /nfs/dbraw/zinc/54/85/78/348548578.db2.gz JVVUEDWKLRIFTJ-OAHLLOKOSA-N 1 0 257.337 2.304 10 0 CEAERO CC(C)[N@@H+]1CCCO[C@@H](c2ccc(CCO)cc2)C1 ZINC000616652050 348548592 /nfs/dbraw/zinc/54/85/92/348548592.db2.gz CWPNPIQYVRJIOM-MRXNPFEDSA-N 1 0 263.381 2.393 10 0 CEAERO C(c1nc(C2CCCCCC2)no1)N1CCC[NH2+]CC1 ZINC000087945646 179528209 /nfs/dbraw/zinc/52/82/09/179528209.db2.gz OZUFBCWIILFFDL-UHFFFAOYSA-N 1 0 278.400 2.303 10 0 CEAERO C[NH2+][C@H](Cc1nc([C@H]2CCCOC2)no1)C(C)(C)C ZINC000087815729 179491802 /nfs/dbraw/zinc/49/18/02/179491802.db2.gz RZMHRNJYZNKKKK-WDEREUQCSA-N 1 0 267.373 2.140 10 0 CEAERO CC(C)[N@@H+]1CCCO[C@@H](c2cccc(CCO)c2)C1 ZINC000616652671 348549112 /nfs/dbraw/zinc/54/91/12/348549112.db2.gz IKERQEQRJWEOKF-MRXNPFEDSA-N 1 0 263.381 2.393 10 0 CEAERO C[C@H]([NH2+]C[C@@]1(N(C)C)CCC[C@@H](C)C1)C(C)(C)O ZINC000087818631 179493648 /nfs/dbraw/zinc/49/36/48/179493648.db2.gz UYDDZPLMUPEVSC-VNHYZAJKSA-N 1 0 256.434 2.246 10 0 CEAERO CC(C)[N@@H+]1CCCO[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000616653903 348549343 /nfs/dbraw/zinc/54/93/43/348549343.db2.gz YTWZMZNWUQWPTB-GFCCVEGCSA-N 1 0 272.389 2.310 10 0 CEAERO COc1ccc(CSc2ncc(C)cn2)cc1C(N)=[NH2+] ZINC000087828843 179496543 /nfs/dbraw/zinc/49/65/43/179496543.db2.gz SCWZFWFNCMWRSV-UHFFFAOYSA-N 1 0 288.376 2.370 10 0 CEAERO [NH3+]C1(c2nc([C@H]3COc4ccccc4O3)no2)CCCC1 ZINC000087855913 179501847 /nfs/dbraw/zinc/50/18/47/179501847.db2.gz QXEUIHSQRMLNMZ-GFCCVEGCSA-N 1 0 287.319 2.310 10 0 CEAERO CC(C)[N@@H+]1CCO[C@@H](c2ccc(CCO)cc2)CC1 ZINC000616595078 348528393 /nfs/dbraw/zinc/52/83/93/348528393.db2.gz TXBMSMWYAXNICP-MRXNPFEDSA-N 1 0 263.381 2.393 10 0 CEAERO CC(C)[N@@H+]1CCO[C@@H](c2ccccc2CCO)CC1 ZINC000616594558 348528604 /nfs/dbraw/zinc/52/86/04/348528604.db2.gz QQFDSTGBWZMQSD-MRXNPFEDSA-N 1 0 263.381 2.393 10 0 CEAERO Cc1nc(O[C@@H]2CCCC[C@H]2C)c(C)c(NN)[nH+]1 ZINC000087878110 179507843 /nfs/dbraw/zinc/50/78/43/179507843.db2.gz GFPQWYPPJWJHAV-LDYMZIIASA-N 1 0 250.346 2.337 10 0 CEAERO OCC[N@@H+]1CCC[C@@H](c2cncc3ccccc32)C1 ZINC000616609274 348533259 /nfs/dbraw/zinc/53/32/59/348533259.db2.gz OPFLEXIYMDKCKD-CQSZACIVSA-N 1 0 256.349 2.407 10 0 CEAERO Cn1cc(C[C@@H]([NH3+])[C@@H]2CCc3ccccc3C2)cn1 ZINC000088032535 179537074 /nfs/dbraw/zinc/53/70/74/179537074.db2.gz CWARNNRXCSUJPG-HZPDHXFCSA-N 1 0 255.365 2.095 10 0 CEAERO CC(C)[C@@H]([NH3+])Cc1nc(C2Cc3ccccc3C2)no1 ZINC000088043281 179538487 /nfs/dbraw/zinc/53/84/87/179538487.db2.gz JZUSMBYAFVIMIX-AWEZNQCLSA-N 1 0 271.364 2.478 10 0 CEAERO Cc1cccc(C(C)C)c1NS(=O)(=O)[C@@H]1CC[NH2+]C1 ZINC000088056047 179540393 /nfs/dbraw/zinc/54/03/93/179540393.db2.gz RBFDSJSYTTXVSF-GFCCVEGCSA-N 1 0 282.409 2.222 10 0 CEAERO C[C@@H]([NH3+])C[S@@](=O)Cc1ccc(Br)cc1 ZINC000088069417 179544002 /nfs/dbraw/zinc/54/40/02/179544002.db2.gz QFXLIJMETHUYEX-CLAHSXSESA-N 1 0 276.199 2.045 10 0 CEAERO COc1ccc(CC[NH2+][C@@H](CO)Cc2ccccc2)cc1 ZINC000088102090 179548100 /nfs/dbraw/zinc/54/81/00/179548100.db2.gz GEVAPKBPSHKFJP-QGZVFWFLSA-N 1 0 285.387 2.431 10 0 CEAERO [NH3+][C@@H](CCc1ccc2c(c1)CCO2)[C@@H]1CCCOC1 ZINC000088105677 179549778 /nfs/dbraw/zinc/54/97/78/179549778.db2.gz FJDOXWZDIWHTJK-CABCVRRESA-N 1 0 261.365 2.308 10 0 CEAERO COc1ccc([C@H](C)N2CC[NH2+]CC2(C)C)cc1OC ZINC000088138310 179555621 /nfs/dbraw/zinc/55/56/21/179555621.db2.gz RUCWPXVWWZLNJR-LBPRGKRZSA-N 1 0 278.396 2.449 10 0 CEAERO C[C@@H](CC[NH3+])[S@@](=O)c1cccc(Br)c1 ZINC000088145400 179556194 /nfs/dbraw/zinc/55/61/94/179556194.db2.gz ZARAJULSUPSZCQ-RTHLEPHNSA-N 1 0 276.199 2.294 10 0 CEAERO COC(=O)CCCOc1cccc2c1CCC[C@@H]2[NH3+] ZINC000088151052 179557804 /nfs/dbraw/zinc/55/78/04/179557804.db2.gz XJTDNJKBHFPVEL-ZDUSSCGKSA-N 1 0 263.337 2.355 10 0 CEAERO COc1ccc2nc(-c3ccc(CC[NH3+])cc3)[nH]c2n1 ZINC000088192692 179562928 /nfs/dbraw/zinc/56/29/28/179562928.db2.gz UDVKVUQPTVGGCG-UHFFFAOYSA-N 1 0 268.320 2.135 10 0 CEAERO CC(C)C[C@H](C[NH3+])Cc1nncn1-c1ccccc1 ZINC000088275595 179574102 /nfs/dbraw/zinc/57/41/02/179574102.db2.gz PFARJRZGTITRBX-ZDUSSCGKSA-N 1 0 258.369 2.431 10 0 CEAERO [NH3+]CCN1C[C@H](c2cccnc2)Nc2ccccc21 ZINC000616682426 348559518 /nfs/dbraw/zinc/55/95/18/348559518.db2.gz BSXIRDQPURJZQU-CQSZACIVSA-N 1 0 254.337 2.014 10 0 CEAERO [NH3+]CCN1C[C@@H](c2ccc(CCO)cc2)Nc2ccccc21 ZINC000616693750 348562826 /nfs/dbraw/zinc/56/28/26/348562826.db2.gz XTZBQDJQARCLFR-KRWDZBQOSA-N 1 0 297.402 2.153 10 0 CEAERO c1ccc2c(c1)CC[C@H](c1noc([C@@H]3CC[NH2+]C3)n1)C2 ZINC000087997961 179533906 /nfs/dbraw/zinc/53/39/06/179533906.db2.gz VPSALVRMAUPVJP-UONOGXRCSA-N 1 0 269.348 2.419 10 0 CEAERO C[NH2+][C@H](CCCOc1ccc(OC)cc1)COC ZINC000088413349 179594656 /nfs/dbraw/zinc/59/46/56/179594656.db2.gz JLAOIWQNBALWND-GFCCVEGCSA-N 1 0 253.342 2.089 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCCCc2ccccc21 ZINC000088335996 179579623 /nfs/dbraw/zinc/57/96/23/179579623.db2.gz XMMUTNDUSZQTKE-JSGCOSHPSA-N 1 0 258.365 2.211 10 0 CEAERO C[C@H]([C@H](O)c1ccccc1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000104197348 185926705 /nfs/dbraw/zinc/92/67/05/185926705.db2.gz VKLSVIZRWRUUFP-YCPHGPKFSA-N 1 0 263.381 2.467 10 0 CEAERO COCc1ccccc1[C@H]1[C@@H](C[NH2+]C(C)C)OCCN1C ZINC000088557038 179623930 /nfs/dbraw/zinc/62/39/30/179623930.db2.gz HVWAWJNMDIOZKN-SJORKVTESA-N 1 0 292.423 2.203 10 0 CEAERO CC[NH2+][C@H](CSC1CCCCC1)Cc1ncnn1C ZINC000088582351 179630201 /nfs/dbraw/zinc/63/02/01/179630201.db2.gz IYKUVAXAMIUKQK-LBPRGKRZSA-N 1 0 282.457 2.402 10 0 CEAERO CC(C)Cn1ncnc1C[C@H]([NH3+])c1ccc(F)cc1 ZINC000088609951 179637287 /nfs/dbraw/zinc/63/72/87/179637287.db2.gz WVKIMXAHFMGGOD-ZDUSSCGKSA-N 1 0 262.332 2.316 10 0 CEAERO CCn1ncnc1C[C@@H]([NH2+]C)c1ccc(C)c(F)c1 ZINC000088610740 179637866 /nfs/dbraw/zinc/63/78/66/179637866.db2.gz AGIGZVXAZVRGPQ-CYBMUJFWSA-N 1 0 262.332 2.249 10 0 CEAERO CCCn1ncnc1C[C@H](Cc1cccc(F)c1)[NH2+]C ZINC000088610938 179637919 /nfs/dbraw/zinc/63/79/19/179637919.db2.gz OBEUZQHXILMOOA-AWEZNQCLSA-N 1 0 276.359 2.200 10 0 CEAERO C[NH2+][C@H](Cc1ncnn1C(C)C)Cc1ccc(OC)cc1 ZINC000088610988 179638037 /nfs/dbraw/zinc/63/80/37/179638037.db2.gz CEHODMLWAJRYMO-AWEZNQCLSA-N 1 0 288.395 2.241 10 0 CEAERO CC[NH2+][C@@H](Cc1ncnn1C(C)C)Cc1ccccn1 ZINC000088610668 179638146 /nfs/dbraw/zinc/63/81/46/179638146.db2.gz QVJKFOUTJGQBPU-CQSZACIVSA-N 1 0 273.384 2.017 10 0 CEAERO C[NH2+][C@@H](Cc1ncnn1C(C)C)Cc1ccccc1F ZINC000088611083 179638454 /nfs/dbraw/zinc/63/84/54/179638454.db2.gz FCNYIFZSYZKUPH-CYBMUJFWSA-N 1 0 276.359 2.371 10 0 CEAERO CCn1ncnc1C[C@@H]([NH3+])C(C)(C)c1ccccc1 ZINC000088612040 179639456 /nfs/dbraw/zinc/63/94/56/179639456.db2.gz AVGRNOBDMAXIFK-CYBMUJFWSA-N 1 0 258.369 2.146 10 0 CEAERO CCn1ncnc1C[C@@H]([NH2+]C)[C@H]1CCc2ccccc2C1 ZINC000088617018 179639801 /nfs/dbraw/zinc/63/98/01/179639801.db2.gz DUNQCTKGLBCAKO-JKSUJKDBSA-N 1 0 284.407 2.234 10 0 CEAERO CC(C)n1ncnc1CN1CC[NH2+]C[C@@H]1C1CCCCC1 ZINC000088624967 179641928 /nfs/dbraw/zinc/64/19/28/179641928.db2.gz IBRZTRQJOBZETM-OAHLLOKOSA-N 1 0 291.443 2.213 10 0 CEAERO CC[C@H]1C[NH2+]C(CC)(CC)CN1Cc1ncnn1CC ZINC000088625697 179642989 /nfs/dbraw/zinc/64/29/89/179642989.db2.gz YMSYVJJFTGIBJT-ZDUSSCGKSA-N 1 0 279.432 2.041 10 0 CEAERO CCCn1ncnc1C[C@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000088626824 179643162 /nfs/dbraw/zinc/64/31/62/179643162.db2.gz VGCIRWJEQFZBFO-OCCSQVGLSA-N 1 0 250.390 2.386 10 0 CEAERO CC[NH2+][C@@H](Cc1ccncc1Cl)c1cnccn1 ZINC000088789009 179672389 /nfs/dbraw/zinc/67/23/89/179672389.db2.gz DBEAEDFXEQJKMT-LBPRGKRZSA-N 1 0 262.744 2.418 10 0 CEAERO C[C@@H]1CC[C@H](C)CN1C(=O)c1ccc(CC[NH3+])cc1 ZINC000088705408 179653526 /nfs/dbraw/zinc/65/35/26/179653526.db2.gz IKHCACOMPYTCIB-QWHCGFSZSA-N 1 0 260.381 2.448 10 0 CEAERO CCC[NH2+][C@H]1CCC[C@H]1n1nc(CC)nc1CC ZINC000088740620 179662213 /nfs/dbraw/zinc/66/22/13/179662213.db2.gz KJRNEHBIBAUFDV-NWDGAFQWSA-N 1 0 250.390 2.496 10 0 CEAERO CCc1nc(CC)n([C@@H](C[NH2+]C)c2ccccc2)n1 ZINC000088744049 179662839 /nfs/dbraw/zinc/66/28/39/179662839.db2.gz YACZACGGCOQXLW-ZDUSSCGKSA-N 1 0 258.369 2.212 10 0 CEAERO COc1ccc(O[C@@H]2CCCCC[C@@H]2O)c(C[NH3+])c1 ZINC000088761395 179668203 /nfs/dbraw/zinc/66/82/03/179668203.db2.gz WXVJPVVLKJSKTR-DZGCQCFKSA-N 1 0 265.353 2.226 10 0 CEAERO CC[NH2+]CCCS(=O)(=O)N(CC)c1cccc(C)c1 ZINC000088973990 179687964 /nfs/dbraw/zinc/68/79/64/179687964.db2.gz SANMUIIIVQRBOK-UHFFFAOYSA-N 1 0 284.425 2.151 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc(Cl)c1F ZINC000104228673 185937144 /nfs/dbraw/zinc/93/71/44/185937144.db2.gz AZMFBTGEDNWBNV-SFYZADRCSA-N 1 0 256.708 2.273 10 0 CEAERO C[NH2+]CCCCS(=O)(=O)N(C)[C@@H](C)c1cccs1 ZINC000089001690 179691122 /nfs/dbraw/zinc/69/11/22/179691122.db2.gz RZSGECOQDZAAJT-NSHDSACASA-N 1 0 290.454 2.070 10 0 CEAERO Cc1cc(C[NH3+])cc(S(=O)(=O)N(C)CC(C)(C)C)c1C ZINC000089013662 179691316 /nfs/dbraw/zinc/69/13/16/179691316.db2.gz AIFHYGVSSFFPAU-UHFFFAOYSA-N 1 0 298.452 2.429 10 0 CEAERO C[NH2+][C@H](C)c1nnc([C@H]2COc3ccccc32)s1 ZINC000088820961 179677916 /nfs/dbraw/zinc/67/79/16/179677916.db2.gz JUAZMLSXLXXOHI-SCZZXKLOSA-N 1 0 261.350 2.343 10 0 CEAERO CCOc1cc(NCCCC[NH+](C)C)ccc1N ZINC000104237149 185939526 /nfs/dbraw/zinc/93/95/26/185939526.db2.gz SYYMUTSBXBKKHV-UHFFFAOYSA-N 1 0 251.374 2.421 10 0 CEAERO COc1ccccc1[C@H](C[NH3+])Sc1ccncn1 ZINC000104236606 185939093 /nfs/dbraw/zinc/93/90/93/185939093.db2.gz YWWNNKSSXMRVJE-LBPRGKRZSA-N 1 0 261.350 2.277 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1cccc(Cl)c1 ZINC000089091387 179699391 /nfs/dbraw/zinc/69/93/91/179699391.db2.gz CFUPSJZJNGJFMC-ZYHUDNBSSA-N 1 0 252.745 2.197 10 0 CEAERO CC(C)[C@@H](C)CNS(=O)(=O)c1ccc(CCC[NH3+])cc1 ZINC000089048264 179693269 /nfs/dbraw/zinc/69/32/69/179693269.db2.gz MPFKDJNVCIEQKS-ZDUSSCGKSA-N 1 0 298.452 2.148 10 0 CEAERO COCCCN(C)c1ccc(C[C@@H](C)[NH3+])c(C)c1 ZINC000104263937 185947941 /nfs/dbraw/zinc/94/79/41/185947941.db2.gz GAMFZQPAOXUOAN-CYBMUJFWSA-N 1 0 250.386 2.357 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@H]1Nc1ccc(-n2cccn2)nc1 ZINC000089142561 179720533 /nfs/dbraw/zinc/72/05/33/179720533.db2.gz ABWGPUFCNMYIKB-TZMCWYRMSA-N 1 0 271.368 2.197 10 0 CEAERO CCn1nc(CC2(O)CC[NH+](C)CC2)c2ccccc21 ZINC000089176057 179741519 /nfs/dbraw/zinc/74/15/19/179741519.db2.gz DVEXZWLLWPBAFN-UHFFFAOYSA-N 1 0 273.380 2.055 10 0 CEAERO CCn1nc(C[C@H](CCOC)[NH2+]C)c2ccccc21 ZINC000089177613 179742810 /nfs/dbraw/zinc/74/28/10/179742810.db2.gz FXTRFGNFSSGXCP-LBPRGKRZSA-N 1 0 261.369 2.223 10 0 CEAERO CCn1nc(C[C@@H]([NH3+])C2CCOCC2)c2ccccc21 ZINC000089178146 179743200 /nfs/dbraw/zinc/74/32/00/179743200.db2.gz JZODFZWUCQHRGT-CQSZACIVSA-N 1 0 273.380 2.353 10 0 CEAERO CC[C@H](C[NH2+]CCOC)Cc1nn(C)c2ccccc12 ZINC000089179113 179743276 /nfs/dbraw/zinc/74/32/76/179743276.db2.gz BUAQLZUPFOZWSM-ZDUSSCGKSA-N 1 0 275.396 2.378 10 0 CEAERO O[C@]12CCCC[C@H]1C[N@H+](CC[C@H]1CCOC1)CC2 ZINC000400614679 233179490 /nfs/dbraw/zinc/17/94/90/233179490.db2.gz JYRKJRZOWLMVMG-KKUMJFAQSA-N 1 0 253.386 2.040 10 0 CEAERO CC[NH2+][C@H](Cc1c(Cl)c(C)nn1C)[C@@H]1CCCO1 ZINC000089252155 179760500 /nfs/dbraw/zinc/76/05/00/179760500.db2.gz GUDRPCOXVMFEQA-PWSUYJOCSA-N 1 0 271.792 2.082 10 0 CEAERO COc1ccc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])c(C)c1 ZINC000089461852 539719255 /nfs/dbraw/zinc/71/92/55/539719255.db2.gz UCMXSIPJKPYFET-YPMHNXCESA-N 1 0 262.353 2.317 10 0 CEAERO CC[NH2+][C@H](Cc1cc(C)nn1CC)C[C@@H]1CCCO1 ZINC000089193178 179749962 /nfs/dbraw/zinc/74/99/62/179749962.db2.gz WSMUKPMUIYILLD-HIFRSBDPSA-N 1 0 265.401 2.301 10 0 CEAERO CCc1cc(C[C@@H](Cc2nc(C)cs2)[NH2+]C)n(C)n1 ZINC000089194305 179750649 /nfs/dbraw/zinc/75/06/49/179750649.db2.gz XXOHLFFPMANPRM-LBPRGKRZSA-N 1 0 278.425 2.121 10 0 CEAERO Cc1cc(C[C@@H]([NH3+])Cc2ccc(F)cc2F)n(C)n1 ZINC000089198382 179751560 /nfs/dbraw/zinc/75/15/60/179751560.db2.gz MNOHSLCYTBJDME-LBPRGKRZSA-N 1 0 265.307 2.119 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(F)cc1F ZINC000089449631 539715776 /nfs/dbraw/zinc/71/57/76/539715776.db2.gz YPMUJRWHPDVBQH-WPRPVWTQSA-N 1 0 254.280 2.278 10 0 CEAERO CCC[NH2+][C@H](Cc1cc(C)nn1CC)[C@H]1CCOC1 ZINC000089199428 179752145 /nfs/dbraw/zinc/75/21/45/179752145.db2.gz IDCIECLZICCFGO-DZGCQCFKSA-N 1 0 265.401 2.159 10 0 CEAERO CCn1nc(C)cc1CN1C[C@@H](C(C)C)[NH2+]C[C@@H]1C1CC1 ZINC000089209262 179755297 /nfs/dbraw/zinc/75/52/97/179755297.db2.gz GKNUCZCOPZDXTP-DLBZAZTESA-N 1 0 290.455 2.420 10 0 CEAERO CCc1nc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])sc1C ZINC000089460471 539718806 /nfs/dbraw/zinc/71/88/06/539718806.db2.gz MRLCHRHUCCNJJS-UWVGGRQHSA-N 1 0 267.398 2.327 10 0 CEAERO CCc1nn(CC)c(CN2C[C@@H](C)[NH2+]C[C@@H]2C)c1Cl ZINC000089353614 179772460 /nfs/dbraw/zinc/77/24/60/179772460.db2.gz JSGQJXXSAHOCPQ-MNOVXSKESA-N 1 0 284.835 2.301 10 0 CEAERO Cc1cc(F)c(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1F ZINC000248582217 539721632 /nfs/dbraw/zinc/72/16/32/539721632.db2.gz FOABFWYPSBDWMH-NURSFMCSSA-N 1 0 280.318 2.083 10 0 CEAERO CC[C@]1(C)C[NH2+][C@H](C)CN1Cc1csc(C)n1 ZINC000089270331 179763215 /nfs/dbraw/zinc/76/32/15/179763215.db2.gz DBMQFSONYWWATB-ZWNOBZJWSA-N 1 0 253.415 2.414 10 0 CEAERO CCn1nc(C)c(Cl)c1C[C@H]([NH2+]C)[C@H]1CCOC1 ZINC000089297928 179766586 /nfs/dbraw/zinc/76/65/86/179766586.db2.gz ROAHPRGGRZFKSJ-QWRGUYRKSA-N 1 0 271.792 2.032 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@H]1C(=O)NCC1CCCCC1 ZINC000089387692 179777981 /nfs/dbraw/zinc/77/79/81/179777981.db2.gz AXSMPMHQUXNVBQ-ZIAGYGMSSA-N 1 0 252.402 2.448 10 0 CEAERO CCc1nc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])sc1C ZINC000089460466 179795827 /nfs/dbraw/zinc/79/58/27/179795827.db2.gz MRLCHRHUCCNJJS-ZJUUUORDSA-N 1 0 267.398 2.327 10 0 CEAERO Cc1ccc(CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])s1 ZINC000089461337 179796116 /nfs/dbraw/zinc/79/61/16/179796116.db2.gz CRNHDOBHUFXHSU-PWSUYJOCSA-N 1 0 252.383 2.048 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@H]1CNC(=O)c1cc(F)cc(F)c1 ZINC000089531922 179811251 /nfs/dbraw/zinc/81/12/51/179811251.db2.gz HZOZZOVYLRJULE-MNOVXSKESA-N 1 0 282.334 2.460 10 0 CEAERO Cc1cccc(C(=O)NC[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000089531752 179811294 /nfs/dbraw/zinc/81/12/94/179811294.db2.gz GWLVFWNATWWYEC-CABCVRRESA-N 1 0 260.381 2.490 10 0 CEAERO CCOC(=O)c1ccc(OC[C@@H]2CCCC[C@H]2C[NH3+])nc1 ZINC000089538115 179813505 /nfs/dbraw/zinc/81/35/05/179813505.db2.gz GMLGLDUMGSLAHP-JSGCOSHPSA-N 1 0 292.379 2.402 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1CNC(=O)Nc1cccc(F)c1 ZINC000089500850 179805681 /nfs/dbraw/zinc/80/56/81/179805681.db2.gz OOVIYSPLCCNCCL-MNOVXSKESA-N 1 0 265.332 2.322 10 0 CEAERO CCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCC[NH2+]C1 ZINC000104338559 185974357 /nfs/dbraw/zinc/97/43/57/185974357.db2.gz OSIQNANAFRIIAW-GFCCVEGCSA-N 1 0 258.369 2.137 10 0 CEAERO CC[NH2+][C@@H](C)CCc1cc(OC)c2c(c1)OCCO2 ZINC000089631747 179834217 /nfs/dbraw/zinc/83/42/17/179834217.db2.gz BUQNMZNDALNYSD-NSHDSACASA-N 1 0 265.353 2.397 10 0 CEAERO CN(CC1CCCC1)C(=O)[C@H]1CCC[C@@H](C[NH3+])C1 ZINC000104351096 185978637 /nfs/dbraw/zinc/97/86/37/185978637.db2.gz HNMFDLYYFWNOHM-KGLIPLIRSA-N 1 0 252.402 2.400 10 0 CEAERO CC(C)[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1cccs1 ZINC000090027239 179907232 /nfs/dbraw/zinc/90/72/32/179907232.db2.gz KBZQZSHPMZPYDW-GXFFZTMASA-N 1 0 280.393 2.182 10 0 CEAERO NC(=[NH2+])c1cc(C(F)(F)F)ccc1SCCCO ZINC000090107836 179915913 /nfs/dbraw/zinc/91/59/13/179915913.db2.gz OUVHFXOLNKBRDM-UHFFFAOYSA-N 1 0 278.299 2.464 10 0 CEAERO CCN(C(=O)c1cc(Cl)cn1C(C)C)C1C[NH2+]C1 ZINC000090291171 179951626 /nfs/dbraw/zinc/95/16/26/179951626.db2.gz BXIKXORPSVIFBN-UHFFFAOYSA-N 1 0 269.776 2.156 10 0 CEAERO CC(C)OC(=O)CN1CCCC[C@@H]1C[NH2+]C(C)(C)C ZINC000104409086 185990330 /nfs/dbraw/zinc/99/03/30/185990330.db2.gz YBDGVHNPRBGXMJ-CYBMUJFWSA-N 1 0 270.417 2.181 10 0 CEAERO CC[NH2+]Cc1cncn1Cc1ccc(OC)c(OC)c1 ZINC000090240813 179938141 /nfs/dbraw/zinc/93/81/41/179938141.db2.gz JVNQKHWQSAYJLE-UHFFFAOYSA-N 1 0 275.352 2.058 10 0 CEAERO CCC[NH2+]Cc1cncn1[C@@H](C)c1nccs1 ZINC000090242905 179939269 /nfs/dbraw/zinc/93/92/69/179939269.db2.gz LCIVGHHENQPODK-JTQLQIEISA-N 1 0 250.371 2.449 10 0 CEAERO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1C(=O)CC1CCCC1 ZINC000090336484 179965193 /nfs/dbraw/zinc/96/51/93/179965193.db2.gz IMFIGEARZSIYSZ-QWHCGFSZSA-N 1 0 250.386 2.023 10 0 CEAERO CC[C@@H]([NH3+])CSCCC(=O)Nc1ccccc1OC ZINC000090357303 179975544 /nfs/dbraw/zinc/97/55/44/179975544.db2.gz BMAACEVFXFBBAI-LLVKDONJSA-N 1 0 282.409 2.494 10 0 CEAERO CCN(C(=O)[C@@H]1COC[C@@H]1[NH3+])c1cccc2ccccc21 ZINC000090378782 179979581 /nfs/dbraw/zinc/97/95/81/179979581.db2.gz UNNZJGIAKFRHNL-CABCVRRESA-N 1 0 284.359 2.166 10 0 CEAERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1NC(=O)Nc1ccc(C)c(Cl)c1 ZINC000090312627 179956739 /nfs/dbraw/zinc/95/67/39/179956739.db2.gz RLFKUKGWRZQCNF-XQQFMLRXSA-N 1 0 297.786 2.275 10 0 CEAERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1Nc1ncc(Cl)cc1Cl ZINC000090313233 179956759 /nfs/dbraw/zinc/95/67/59/179956759.db2.gz URJMAQHOUQSEEX-AEJSXWLSSA-N 1 0 276.167 2.305 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1c1nc(-c2cccs2)n[nH]1 ZINC000090534783 179999356 /nfs/dbraw/zinc/99/93/56/179999356.db2.gz DJBQNZXENUAMSG-VHSXEESVSA-N 1 0 278.381 2.015 10 0 CEAERO CCCCCC[C@H](C)NC(=O)[C@H]1COC[C@@H]1[NH2+]CCC ZINC000090541260 180000564 /nfs/dbraw/zinc/00/05/64/180000564.db2.gz UKHHRJCRTPDGJH-KKUMJFAQSA-N 1 0 284.444 2.476 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000090538877 180000575 /nfs/dbraw/zinc/00/05/75/180000575.db2.gz KRLCXWRGEQXLAI-OLZOCXBDSA-N 1 0 282.771 2.293 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)N(CC)c1ccccc1F ZINC000090544469 180000756 /nfs/dbraw/zinc/00/07/56/180000756.db2.gz HWINPYQDWPEEBW-JSGCOSHPSA-N 1 0 294.370 2.193 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N[C@@H](C)CCCC(C)C ZINC000090543543 180000794 /nfs/dbraw/zinc/00/07/94/180000794.db2.gz CUTAVVPAYYTPSW-SOUVJXGZSA-N 1 0 284.444 2.332 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N(CC)c1ccccc1F ZINC000090544465 180001011 /nfs/dbraw/zinc/00/10/11/180001011.db2.gz HWINPYQDWPEEBW-GXTWGEPZSA-N 1 0 294.370 2.193 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N[C@@H](CC)c1ccccc1 ZINC000090544606 180001076 /nfs/dbraw/zinc/00/10/76/180001076.db2.gz DNCHTMMYNIYCEG-HRCADAONSA-N 1 0 290.407 2.269 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)N1CCC(C(C)(C)C)CC1 ZINC000090544508 180001087 /nfs/dbraw/zinc/00/10/87/180001087.db2.gz DXNSOBSKNYEFGG-GJZGRUSLSA-N 1 0 296.455 2.286 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)N(C)c1ccc(CC)cc1 ZINC000090544409 180001217 /nfs/dbraw/zinc/00/12/17/180001217.db2.gz ZTARBBKKWUAROA-CVEARBPZSA-N 1 0 290.407 2.226 10 0 CEAERO c1cnn(-c2ccc(CSCC3C[NH2+]C3)cc2)c1 ZINC000090712793 180028619 /nfs/dbraw/zinc/02/86/19/180028619.db2.gz VZGMIFYKPIZSDZ-UHFFFAOYSA-N 1 0 259.378 2.325 10 0 CEAERO C[C@]1(c2nc(-c3ccccc3Cl)no2)COC[C@H]1[NH3+] ZINC000090573650 180007369 /nfs/dbraw/zinc/00/73/69/180007369.db2.gz LIBCORRZBFDYBP-MFKMUULPSA-N 1 0 279.727 2.005 10 0 CEAERO CCCn1c2cccc(F)c2nc1[C@]1(C)COC[C@H]1[NH3+] ZINC000090571790 180007481 /nfs/dbraw/zinc/00/74/81/180007481.db2.gz KQODIANIGUJUGY-IUODEOHRSA-N 1 0 277.343 2.201 10 0 CEAERO CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000090715012 180029433 /nfs/dbraw/zinc/02/94/33/180029433.db2.gz KEORQOCWMQAURD-LXTVHRRPSA-N 1 0 252.402 2.018 10 0 CEAERO C[C@@]1(C(=O)Nc2cc(Cl)ccc2Cl)COC[C@H]1[NH3+] ZINC000090580142 180008260 /nfs/dbraw/zinc/00/82/60/180008260.db2.gz BWVHTTHBRRDRRE-ZYHUDNBSSA-N 1 0 289.162 2.296 10 0 CEAERO CCC1CCC(c2noc([C@@]3(C)COC[C@H]3[NH3+])n2)CC1 ZINC000090574139 180008548 /nfs/dbraw/zinc/00/85/48/180008548.db2.gz QYJUKOHKGVKUJT-KQFUTBAXSA-N 1 0 279.384 2.369 10 0 CEAERO C[C@]1(c2nc(C3CCCCCC3)no2)COC[C@@H]1[NH3+] ZINC000090574150 180008890 /nfs/dbraw/zinc/00/88/90/180008890.db2.gz MTXHZTBAOKLVGT-FZMZJTMJSA-N 1 0 265.357 2.123 10 0 CEAERO CC(C)c1ccc([C@H](C)NC(=O)[C@]2(C)COC[C@@H]2[NH3+])cc1 ZINC000090587301 180009135 /nfs/dbraw/zinc/00/91/35/180009135.db2.gz VXWITUFDIWHHTP-YLQAJVPDSA-N 1 0 290.407 2.351 10 0 CEAERO CC(C)(C)c1ccccc1NC(=O)[C@]1(C)COC[C@@H]1[NH3+] ZINC000090586082 180009183 /nfs/dbraw/zinc/00/91/83/180009183.db2.gz FGNAAHYLPSZTQT-XJKSGUPXSA-N 1 0 276.380 2.286 10 0 CEAERO CCCCN(C(=O)[C@]1(C)COC[C@H]1[NH3+])c1ccccc1 ZINC000090605519 180011087 /nfs/dbraw/zinc/01/10/87/180011087.db2.gz FOONSCUUOZIMJH-GDBMZVCRSA-N 1 0 276.380 2.184 10 0 CEAERO CCOCc1nc2c(c3ccccc3nc2N)n1CCC[NH3+] ZINC000090609634 180011900 /nfs/dbraw/zinc/01/19/00/180011900.db2.gz HVJUMTMMTHTXOF-UHFFFAOYSA-N 1 0 299.378 2.052 10 0 CEAERO COC(C[C@@H](C[NH3+])N(C)Cc1ccc(Cl)s1)OC ZINC000090625164 180015673 /nfs/dbraw/zinc/01/56/73/180015673.db2.gz MOCTYIWXILAAOF-VIFPVBQESA-N 1 0 292.832 2.170 10 0 CEAERO C[C@@H](OC[C@H](O)c1ccc(C[NH3+])cc1)C(F)(F)F ZINC000090671981 180021004 /nfs/dbraw/zinc/02/10/04/180021004.db2.gz LEULNQCWENUHPY-KCJUWKMLSA-N 1 0 263.259 2.146 10 0 CEAERO CC[NH2+][C@@H]1CCC2(C[C@H]1O[C@@H](C)C(F)(F)F)OCCO2 ZINC000090672302 180021193 /nfs/dbraw/zinc/02/11/93/180021193.db2.gz OOMFJHPFDTUMPG-HBNTYKKESA-N 1 0 297.317 2.228 10 0 CEAERO CC[C@H]([NH3+])[C@H](O[C@@H](C)C(F)(F)F)c1cnn(C)c1 ZINC000090671758 180021205 /nfs/dbraw/zinc/02/12/05/180021205.db2.gz AFEHTOOGTFXJJW-UJNFCWOMSA-N 1 0 265.279 2.166 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)CCCO[C@H](C)C(F)(F)F ZINC000090675964 180022219 /nfs/dbraw/zinc/02/22/19/180022219.db2.gz KTZVZQOQAALGOW-MNOVXSKESA-N 1 0 271.323 2.483 10 0 CEAERO CC(C)c1ncc(O[C@@H](C)C(F)(F)F)c(C[NH3+])n1 ZINC000090675294 180022447 /nfs/dbraw/zinc/02/24/47/180022447.db2.gz ADIZLMLOWVYAMK-ZETCQYMHSA-N 1 0 263.263 2.388 10 0 CEAERO C[NH+](C)C[C@@H]1CSCCCN1C(=O)NC1CCCCC1 ZINC000090700200 180028047 /nfs/dbraw/zinc/02/80/47/180028047.db2.gz JZIICYCWGUFMDE-CQSZACIVSA-N 1 0 299.484 2.398 10 0 CEAERO COc1cc(N(CCC[NH3+])c2ccc(F)cc2)ncn1 ZINC000090783529 180039539 /nfs/dbraw/zinc/03/95/39/180039539.db2.gz KOCDHFFAECAFOD-UHFFFAOYSA-N 1 0 276.315 2.111 10 0 CEAERO CCOc1cc(OC[C@H]2CCCC[C@H]2C[NH3+])ncn1 ZINC000090784576 180039930 /nfs/dbraw/zinc/03/99/30/180039930.db2.gz LWEYGVFJFCHCTR-NWDGAFQWSA-N 1 0 265.357 2.019 10 0 CEAERO CCCOc1cc(O[C@@H]2CCCC[C@H]2C[NH3+])ncn1 ZINC000090785420 180040251 /nfs/dbraw/zinc/04/02/51/180040251.db2.gz IPTKSSLHUVAMNZ-NWDGAFQWSA-N 1 0 265.357 2.162 10 0 CEAERO CCCOc1cc(N[C@H]2c3ccccc3C[C@H]2[NH3+])ncn1 ZINC000090785711 180040284 /nfs/dbraw/zinc/04/02/84/180040284.db2.gz OWUBHWWIVFVPGE-CJNGLKHVSA-N 1 0 284.363 2.302 10 0 CEAERO CCOc1cc(NC[C@@H]2CCCC[C@@H]2C[NH3+])ncn1 ZINC000090784829 180040314 /nfs/dbraw/zinc/04/03/14/180040314.db2.gz PAVHTSYKNVPMSV-NEPJUHHUSA-N 1 0 264.373 2.052 10 0 CEAERO CCCN(c1cc(OC)nc(C)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000090787003 180040564 /nfs/dbraw/zinc/04/05/64/180040564.db2.gz PWNHCVAFHNCFES-PBWFPOADSA-N 1 0 290.411 2.293 10 0 CEAERO CC(C)C[C@@H](C[NH3+])Nc1cc(OC(C)C)ncn1 ZINC000090786139 180040894 /nfs/dbraw/zinc/04/08/94/180040894.db2.gz KIRYYAGTWWZJNR-NSHDSACASA-N 1 0 252.362 2.049 10 0 CEAERO CC(C)Oc1cc(NC[C@@H]2CCC[C@@H]2C[NH3+])ncn1 ZINC000090786668 180040974 /nfs/dbraw/zinc/04/09/74/180040974.db2.gz AKRBIDSZDLIXJE-NEPJUHHUSA-N 1 0 264.373 2.051 10 0 CEAERO CC(C)Oc1cc(N(CC[NH3+])C2CCCCC2)ncn1 ZINC000090786628 180040995 /nfs/dbraw/zinc/04/09/95/180040995.db2.gz YRROTAJFOYTCLN-UHFFFAOYSA-N 1 0 278.400 2.362 10 0 CEAERO COc1ncnc(N2CCC[C@H]2C[NH2+]C(C)(C)C)c1C ZINC000090789039 180041126 /nfs/dbraw/zinc/04/11/26/180041126.db2.gz WCLQUSZRNNNXIP-LBPRGKRZSA-N 1 0 278.400 2.151 10 0 CEAERO COc1ncnc(N(CCC[NH3+])c2ccc(F)cc2)c1C ZINC000090788673 180041356 /nfs/dbraw/zinc/04/13/56/180041356.db2.gz CMXJTEAPPMSOIE-UHFFFAOYSA-N 1 0 290.342 2.420 10 0 CEAERO CCOc1ccc(Nc2ncnc(OC)c2C)cc1C[NH3+] ZINC000090789243 180041436 /nfs/dbraw/zinc/04/14/36/180041436.db2.gz DFXYSAIUVVFBSH-UHFFFAOYSA-N 1 0 288.351 2.395 10 0 CEAERO CCOc1ncnc(N[C@H]2CC[NH2+]C3(CCC3)C2)c1C ZINC000090789546 180042171 /nfs/dbraw/zinc/04/21/71/180042171.db2.gz BZYPMRHYQROSDF-LBPRGKRZSA-N 1 0 276.384 2.270 10 0 CEAERO C[C@H]([NH2+]C[C@H](C)[S@](C)=O)c1cc(F)ccc1F ZINC000090842876 180044265 /nfs/dbraw/zinc/04/42/65/180044265.db2.gz WIXXXCJGMTWFEX-IRWWLHRVSA-N 1 0 261.337 2.382 10 0 CEAERO COCc1cc([C@H](C)[NH2+]C[C@H](C)[S@](C)=O)ccc1OC ZINC000090842920 180044416 /nfs/dbraw/zinc/04/44/16/180044416.db2.gz UNROHSXSEAVNTB-JOOBJXAISA-N 1 0 299.436 2.259 10 0 CEAERO COc1cccc(F)c1[C@H](C)[NH2+]C[C@H](C)[S@](C)=O ZINC000090842239 180044570 /nfs/dbraw/zinc/04/45/70/180044570.db2.gz MOFFRVZBTPUNOV-LXIMFEHMSA-N 1 0 273.373 2.252 10 0 CEAERO [NH3+]CCc1ccc(S(=O)(=O)[N-]c2ccsc2)s1 ZINC000090867994 180048666 /nfs/dbraw/zinc/04/86/66/180048666.db2.gz VOVOLQYYAJHYJW-UHFFFAOYSA-N 1 0 288.419 2.112 10 0 CEAERO CC[C@@H](C)NC(=O)CSc1cccc(C[NH3+])c1 ZINC000090870525 180049173 /nfs/dbraw/zinc/04/91/73/180049173.db2.gz MJIMNZRMQRCNPQ-SNVBAGLBSA-N 1 0 252.383 2.152 10 0 CEAERO CC[NH2+]Cc1cccc(SCC(=O)NCCCOC)c1 ZINC000090871223 180049436 /nfs/dbraw/zinc/04/94/36/180049436.db2.gz IFWNFZYBAZKKMX-UHFFFAOYSA-N 1 0 296.436 2.041 10 0 CEAERO CC(C)[NH2+]Cc1cccc(S[C@H](C)C(N)=O)c1 ZINC000090872078 180049751 /nfs/dbraw/zinc/04/97/51/180049751.db2.gz QDYDEEFLSKNDQD-SNVBAGLBSA-N 1 0 252.383 2.151 10 0 CEAERO COCC[NH2+]Cc1cccc(SCCC(=O)OC)c1 ZINC000090873230 180049790 /nfs/dbraw/zinc/04/97/90/180049790.db2.gz WCNLZWDFTLPBEW-UHFFFAOYSA-N 1 0 283.393 2.078 10 0 CEAERO [NH3+]CCN(Cc1ccccc1)C[C@H]1Cc2ccccc2O1 ZINC000090874004 180050123 /nfs/dbraw/zinc/05/01/23/180050123.db2.gz NLFLIVCGZLLJMM-QGZVFWFLSA-N 1 0 282.387 2.451 10 0 CEAERO OC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000090874623 180050766 /nfs/dbraw/zinc/05/07/66/180050766.db2.gz NOHUFQSHLPUCNN-IAGOWNOFSA-N 1 0 283.371 2.183 10 0 CEAERO CCN(C[C@H]1Cc2ccccc2O1)[C@@H]1CCC[NH2+]C1 ZINC000090876257 180051043 /nfs/dbraw/zinc/05/10/43/180051043.db2.gz NRHPJWGEWRLXCA-HUUCEWRRSA-N 1 0 260.381 2.064 10 0 CEAERO CC(C)[C@@H](CN(C)C)[NH2+]C[C@H]1Cc2cc(F)ccc2O1 ZINC000090892413 180053974 /nfs/dbraw/zinc/05/39/74/180053974.db2.gz HFDAPWSPECPTIC-HUUCEWRRSA-N 1 0 280.387 2.305 10 0 CEAERO Fc1ccc2c(c1)C[C@@H](C[NH2+]Cc1ccncc1)O2 ZINC000090892058 180054139 /nfs/dbraw/zinc/05/41/39/180054139.db2.gz HCTXFVCNXRHYQT-AWEZNQCLSA-N 1 0 258.296 2.314 10 0 CEAERO Fc1ccc2c(c1)C[C@@H](COC[C@@H]1CCC[NH2+]C1)O2 ZINC000090893678 180054605 /nfs/dbraw/zinc/05/46/05/180054605.db2.gz CICDOICWGCSFAU-RISCZKNCSA-N 1 0 265.328 2.145 10 0 CEAERO OCC1([NH2+]C[C@H]2Cc3cc(F)ccc3O2)CCCCC1 ZINC000090892695 180054963 /nfs/dbraw/zinc/05/49/63/180054963.db2.gz XGUILMIBVJSDKT-CQSZACIVSA-N 1 0 279.355 2.414 10 0 CEAERO CC[NH2+]C[C@H]1CCCN(C[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090893528 180055299 /nfs/dbraw/zinc/05/52/99/180055299.db2.gz DBYUWMGQAZEMAV-CJNGLKHVSA-N 1 0 292.398 2.451 10 0 CEAERO [NH3+]C1CCC(OC[C@@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090893714 180056231 /nfs/dbraw/zinc/05/62/31/180056231.db2.gz OZUOPOZSCKYLKX-RUXDESIVSA-N 1 0 265.328 2.416 10 0 CEAERO C[NH2+]Cc1cn(C[C@H]2Cc3cc(F)ccc3O2)nc1C ZINC000090895594 180056486 /nfs/dbraw/zinc/05/64/86/180056486.db2.gz ZAQGCYWDXZSNKF-CQSZACIVSA-N 1 0 275.327 2.054 10 0 CEAERO CC(C)(C)[C@H]1C[NH2+]CCN1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090896132 180057143 /nfs/dbraw/zinc/05/71/43/180057143.db2.gz RNZWLMZCKKCFRN-GOEBONIOSA-N 1 0 292.398 2.449 10 0 CEAERO COC(=O)CCC[N@H+](C)C[C@H]1Cc2cc(C)ccc2O1 ZINC000090900831 180059300 /nfs/dbraw/zinc/05/93/00/180059300.db2.gz CXNIDODMCIHXDQ-CQSZACIVSA-N 1 0 277.364 2.184 10 0 CEAERO C[C@@H](CCO)C[NH2+]C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090905291 180059653 /nfs/dbraw/zinc/05/96/53/180059653.db2.gz WPIGWZAUJQBEQB-GWCFXTLKSA-N 1 0 269.772 2.252 10 0 CEAERO C[C@H](CCO)C[NH2+]C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090905292 180059741 /nfs/dbraw/zinc/05/97/41/180059741.db2.gz WPIGWZAUJQBEQB-MFKMUULPSA-N 1 0 269.772 2.252 10 0 CEAERO CC[C@@H](CO)[NH2+]C[C@H]1Cc2cc(Cl)ccc2O1 ZINC000090903527 180060103 /nfs/dbraw/zinc/06/01/03/180060103.db2.gz YAEKJGYWTYRMEN-NWDGAFQWSA-N 1 0 255.745 2.004 10 0 CEAERO CC(C)Oc1ccc([C@H](O)CN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090906946 180060941 /nfs/dbraw/zinc/06/09/41/180060941.db2.gz WWJJNHVZFWSLBL-IXDOHACOSA-N 1 0 291.391 2.370 10 0 CEAERO CC(C)C[NH2+]Cc1ccoc1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000090907867 180061939 /nfs/dbraw/zinc/06/19/39/180061939.db2.gz HCBGBSKQDBUCKZ-GASCZTMLSA-N 1 0 278.396 2.388 10 0 CEAERO CCC[C@@]1(CN2C[C@H]3CC[C@@H](C2)O3)CCC[NH2+]C1 ZINC000090908659 180062085 /nfs/dbraw/zinc/06/20/85/180062085.db2.gz BMNUOZQLTFYZMI-QLFBSQMISA-N 1 0 252.402 2.020 10 0 CEAERO CC[NH2+]CC(CC)(CC)CN1C[C@H]2CC[C@@H](C1)O2 ZINC000090907571 180062134 /nfs/dbraw/zinc/06/21/34/180062134.db2.gz TUNMQGBWVXFWSO-OKILXGFUSA-N 1 0 254.418 2.266 10 0 CEAERO [NH3+][C@@H](CCN1C[C@H]2CC[C@@H](C1)O2)c1ccc(F)cc1 ZINC000090907475 180062277 /nfs/dbraw/zinc/06/22/77/180062277.db2.gz QYTHJICAFRAKFX-ZNMIVQPWSA-N 1 0 264.344 2.079 10 0 CEAERO C[C@@H](C[NH2+]C1CCCCC1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090908092 180062294 /nfs/dbraw/zinc/06/22/94/180062294.db2.gz LWDYNLBNQIVEGK-AEGPPILISA-N 1 0 252.402 2.160 10 0 CEAERO CCOCCN(CC)Cc1csc([C@@H](C)[NH3+])n1 ZINC000090958671 180074423 /nfs/dbraw/zinc/07/44/23/180074423.db2.gz FDPYJADCDGUZRU-SNVBAGLBSA-N 1 0 257.403 2.021 10 0 CEAERO CO[C@@H]1CCC[C@H]1[NH2+]Cc1sccc1NC(C)=O ZINC000090960557 180075490 /nfs/dbraw/zinc/07/54/90/180075490.db2.gz JFBJIKBBTBHOHF-ZYHUDNBSSA-N 1 0 268.382 2.364 10 0 CEAERO CC(=O)Nc1ccsc1CNC[C@@H]1CCC[N@@H+](C)C1 ZINC000090960503 180075531 /nfs/dbraw/zinc/07/55/31/180075531.db2.gz JNOQTSMGAPBOPW-LBPRGKRZSA-N 1 0 281.425 2.138 10 0 CEAERO CC(=O)Nc1ccccc1C[NH2+][C@@H](C)Cn1ccnc1 ZINC000090962082 180076037 /nfs/dbraw/zinc/07/60/37/180076037.db2.gz ONCLRWYARNPCJV-LBPRGKRZSA-N 1 0 272.352 2.020 10 0 CEAERO CCN1CCC[C@@H]([NH2+]Cc2ccccc2NC(C)=O)C1 ZINC000090962325 180077061 /nfs/dbraw/zinc/07/70/61/180077061.db2.gz KUFPAUAYFBTOKX-OAHLLOKOSA-N 1 0 275.396 2.219 10 0 CEAERO CC[C@@H](C)NC(=O)CC[NH2+]C[C@H]1Cc2ccccc21 ZINC000090976410 180079083 /nfs/dbraw/zinc/07/90/83/180079083.db2.gz DKAHSPKUVRUPBF-TZMCWYRMSA-N 1 0 260.381 2.221 10 0 CEAERO [NH3+]CCN(C(=O)[C@H]1Cc2ccccc21)C1CCCC1 ZINC000090982687 180079468 /nfs/dbraw/zinc/07/94/68/180079468.db2.gz GLSDTYXWLWFYHA-HNNXBMFYSA-N 1 0 258.365 2.056 10 0 CEAERO C[C@@]1(C2CC2)CNCC[N@@H+]1C[C@@H]1Cc2ccccc21 ZINC000090982025 180079604 /nfs/dbraw/zinc/07/96/04/180079604.db2.gz DOYCDQZFOIHSNG-YOEHRIQHSA-N 1 0 256.393 2.400 10 0 CEAERO [NH3+]CCOc1cccc(NC(=O)[C@@H]2Cc3ccccc32)c1 ZINC000090982584 180079717 /nfs/dbraw/zinc/07/97/17/180079717.db2.gz MGIVAVLLSBGWFO-MRXNPFEDSA-N 1 0 282.343 2.303 10 0 CEAERO CCC(CC)N(CC[NH3+])C(=O)[C@@H]1Cc2ccccc21 ZINC000090987190 180081040 /nfs/dbraw/zinc/08/10/40/180081040.db2.gz PAERLVDYTGRMOY-OAHLLOKOSA-N 1 0 260.381 2.302 10 0 CEAERO [NH3+]Cc1cccn1CC(=O)Nc1ccccc1Cl ZINC000090995150 180082601 /nfs/dbraw/zinc/08/26/01/180082601.db2.gz YZULPRWSMMRVHK-UHFFFAOYSA-N 1 0 263.728 2.239 10 0 CEAERO CCC[NH2+]Cc1cccn1Cc1ncnn1C(C)C ZINC000090996101 180083498 /nfs/dbraw/zinc/08/34/98/180083498.db2.gz KLTLNFYZQUPINQ-UHFFFAOYSA-N 1 0 261.373 2.208 10 0 CEAERO CC(C)CNC(=O)Cn1ccc(C[NH2+]C(C)(C)C)c1 ZINC000091004167 180083736 /nfs/dbraw/zinc/08/37/36/180083736.db2.gz REQGZIMGAOYBRE-UHFFFAOYSA-N 1 0 265.401 2.148 10 0 CEAERO CC(C)[NH2+]Cc1ccn(CC(=O)N[C@H](C)C(C)C)c1 ZINC000091003672 180083889 /nfs/dbraw/zinc/08/38/89/180083889.db2.gz IRVYDJIYTSVGOP-CYBMUJFWSA-N 1 0 265.401 2.147 10 0 CEAERO CC(C)(C)[NH2+]Cc1ccn(CC(=O)N2CCCCC2)c1 ZINC000091004274 180084073 /nfs/dbraw/zinc/08/40/73/180084073.db2.gz PNEXCMXHHMWOQR-UHFFFAOYSA-N 1 0 277.412 2.389 10 0 CEAERO CCC[NH2+]Cc1ccn(CC(=O)N[C@@H](C)CCC)c1 ZINC000091003349 180084119 /nfs/dbraw/zinc/08/41/19/180084119.db2.gz NGLRAKHSDMYHMG-ZDUSSCGKSA-N 1 0 265.401 2.293 10 0 CEAERO C[NH2+]Cc1ccn(Cc2ccc(OC)c(OC)c2)c1 ZINC000091003049 180084169 /nfs/dbraw/zinc/08/41/69/180084169.db2.gz BZRUBVFXLRQFKH-UHFFFAOYSA-N 1 0 260.337 2.273 10 0 CEAERO C[C@@H]([NH3+])Cc1cccn1Cc1cn2ccccc2n1 ZINC000091005322 180084767 /nfs/dbraw/zinc/08/47/67/180084767.db2.gz LEXFCBJWXKNCKT-GFCCVEGCSA-N 1 0 254.337 2.074 10 0 CEAERO CC[C@H]([NH3+])Cc1ccn(CCOCC(F)(F)F)c1 ZINC000091006231 180084769 /nfs/dbraw/zinc/08/47/69/180084769.db2.gz KMEQFMHFRSPJFC-NSHDSACASA-N 1 0 264.291 2.347 10 0 CEAERO CCCn1ccc(C[NH2+]C2CCN(C(=O)C3CC3)CC2)c1 ZINC000091012042 180086309 /nfs/dbraw/zinc/08/63/09/180086309.db2.gz LNAJAJQIUKYJGR-UHFFFAOYSA-N 1 0 289.423 2.389 10 0 CEAERO CCn1nc(C)cc1Cn1cc(C[NH3+])c2cccnc21 ZINC000091018585 180087360 /nfs/dbraw/zinc/08/73/60/180087360.db2.gz JUTRRFJVYAZAGX-UHFFFAOYSA-N 1 0 269.352 2.068 10 0 CEAERO CCCNC(=O)Cn1cc(C[NH2+]C(C)C)c2cccnc21 ZINC000091020602 180087697 /nfs/dbraw/zinc/08/76/97/180087697.db2.gz PLMSYKPVCPRNIY-UHFFFAOYSA-N 1 0 288.395 2.061 10 0 CEAERO CCC(CC)NC(=O)Cn1cc(C[NH2+]C)c2cccnc21 ZINC000091019529 180087763 /nfs/dbraw/zinc/08/77/63/180087763.db2.gz NXWPHJCJZBOSAK-UHFFFAOYSA-N 1 0 288.395 2.061 10 0 CEAERO CC(C)[NH2+]Cc1cn(Cc2cncn2C)c2ncccc12 ZINC000091020424 180087828 /nfs/dbraw/zinc/08/78/28/180087828.db2.gz HEEVDULIZMGHHT-UHFFFAOYSA-N 1 0 283.379 2.316 10 0 CEAERO CCOCCCn1cc(C[C@@H](C)[NH3+])c2cccnc21 ZINC000091021643 180088619 /nfs/dbraw/zinc/08/86/19/180088619.db2.gz VWESQXRFAWKOQO-GFCCVEGCSA-N 1 0 261.369 2.353 10 0 CEAERO CC[C@H]([NH3+])Cc1cn(C[C@@H]2CCCO2)c2ncccc12 ZINC000091022001 180088731 /nfs/dbraw/zinc/08/87/31/180088731.db2.gz ICXMFAQQGGLJMT-KBPBESRZSA-N 1 0 273.380 2.495 10 0 CEAERO C[C@H]([NH3+])c1nc(-c2nc3ccccc3n2CCO)cs1 ZINC000090934734 180067719 /nfs/dbraw/zinc/06/77/19/180067719.db2.gz JLUOEXSHTOFWKB-VIFPVBQESA-N 1 0 288.376 2.172 10 0 CEAERO CCn1cccc1C[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000091127592 180099585 /nfs/dbraw/zinc/09/95/85/180099585.db2.gz DFPIVXGTOSWKMO-UHFFFAOYSA-N 1 0 292.404 2.201 10 0 CEAERO Fc1ccc2nc(C[C@H]3CSCC[NH2+]3)oc2c1 ZINC000091129352 180100909 /nfs/dbraw/zinc/10/09/09/180100909.db2.gz CLVSXHHAEKELAS-VIFPVBQESA-N 1 0 252.314 2.214 10 0 CEAERO C[C@@H]1CN(C(=O)c2cc3ccc(F)cc3s2)C[C@H]1[NH3+] ZINC000235374275 539766814 /nfs/dbraw/zinc/76/68/14/539766814.db2.gz YXZVBDIZAYJGAQ-LDYMZIIASA-N 1 0 278.352 2.460 10 0 CEAERO C[C@@H]1CN(C(=O)c2cc3ccc(F)cc3s2)C[C@@H]1[NH3+] ZINC000235374230 539766904 /nfs/dbraw/zinc/76/69/04/539766904.db2.gz YXZVBDIZAYJGAQ-KCJUWKMLSA-N 1 0 278.352 2.460 10 0 CEAERO [NH3+]C[C@@H](CC(=O)NC1CC1)N1CCC2(CCCCC2)CC1 ZINC000091319803 180133903 /nfs/dbraw/zinc/13/39/03/180133903.db2.gz ZOURPTNJSQKSAW-OAHLLOKOSA-N 1 0 293.455 2.029 10 0 CEAERO CC1CCC([N@H+](C)[C@@H](CN)CC(=O)N2CCCCC2)CC1 ZINC000091325264 180134997 /nfs/dbraw/zinc/13/49/97/180134997.db2.gz ADDGIZDKJHNVFA-UYSNPLJNSA-N 1 0 295.471 2.227 10 0 CEAERO [NH3+]C[C@@H](CC(=O)N1CCCCC1)Nc1ccccc1Cl ZINC000091325652 180135295 /nfs/dbraw/zinc/13/52/95/180135295.db2.gz ZYGWEYXTUPBTNX-GFCCVEGCSA-N 1 0 295.814 2.482 10 0 CEAERO CC(C)(C)CNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091360460 180141053 /nfs/dbraw/zinc/14/10/53/180141053.db2.gz AJOIBBYIQBTWCZ-AVGNSLFASA-N 1 0 252.402 2.460 10 0 CEAERO COC[C@@H]1CCN(C[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000091362940 180142450 /nfs/dbraw/zinc/14/24/50/180142450.db2.gz ZIVAAUQBFNDFBB-UGUYLWEFSA-N 1 0 266.429 2.266 10 0 CEAERO CCN(Cc1ccncc1)[C@@H](C[NH3+])c1cncn1C1CC1 ZINC000091276387 180120510 /nfs/dbraw/zinc/12/05/10/180120510.db2.gz LTOHROUFSZNIHM-HNNXBMFYSA-N 1 0 285.395 2.135 10 0 CEAERO C[NH2+]Cc1cc(Cl)c(OCc2cncn2C)c(OC)c1 ZINC000091278247 180121280 /nfs/dbraw/zinc/12/12/80/180121280.db2.gz MUNXMUYFKBNRKO-UHFFFAOYSA-N 1 0 295.770 2.381 10 0 CEAERO C[NH2+]Cc1cc(Cl)ccc1OCc1cncn1C ZINC000091278271 180121292 /nfs/dbraw/zinc/12/12/92/180121292.db2.gz OIFCIBVIBZCRFU-UHFFFAOYSA-N 1 0 265.744 2.372 10 0 CEAERO CCOc1cccc(C[NH2+]C)c1OCc1cncn1C ZINC000091278293 180121389 /nfs/dbraw/zinc/12/13/89/180121389.db2.gz OPPJHEUIMGRAED-UHFFFAOYSA-N 1 0 275.352 2.117 10 0 CEAERO Cc1ccnc(Cl)c1NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000091291779 180122754 /nfs/dbraw/zinc/12/27/54/180122754.db2.gz QVFBQNCSNZGTGO-SECBINFHSA-N 1 0 285.800 2.077 10 0 CEAERO FC(F)(F)CN(CC[C@H]1CSCC[NH2+]1)C1CC1 ZINC000091292174 180123537 /nfs/dbraw/zinc/12/35/37/180123537.db2.gz OYCQBSNZNZVXLA-VIFPVBQESA-N 1 0 268.348 2.108 10 0 CEAERO Cc1ccc2c(c1)nc(C[C@@H]1C[NH2+]CCO1)n2C(C)C ZINC000091293201 180124320 /nfs/dbraw/zinc/12/43/20/180124320.db2.gz PLFHCWJNCRLGHV-CYBMUJFWSA-N 1 0 273.380 2.457 10 0 CEAERO CCCNc1ccnc(C(=O)N2CCC[C@H]([NH+](C)C)C2)c1 ZINC000091430419 180152921 /nfs/dbraw/zinc/15/29/21/180152921.db2.gz FGYQNYXGMPHDPH-AWEZNQCLSA-N 1 0 290.411 2.070 10 0 CEAERO [NH3+]Cc1cccc(NC(=O)c2ccncc2Cl)c1 ZINC000091456906 180160148 /nfs/dbraw/zinc/16/01/48/180160148.db2.gz XIGVTBYOMAIQHV-UHFFFAOYSA-N 1 0 261.712 2.446 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1cccc(Cl)c1)N(C)CC1CC(O)C1 ZINC000091459707 180161142 /nfs/dbraw/zinc/16/11/42/180161142.db2.gz CCTTUMPSUGGASJ-WXUJTKTDSA-N 1 0 282.815 2.431 10 0 CEAERO Cc1ccsc1[C@@H]([C@@H](C)[NH3+])N(C)CC1CC(O)C1 ZINC000091462841 180162411 /nfs/dbraw/zinc/16/24/11/180162411.db2.gz ZVWZWXOXNAWALJ-IKWCTNDRSA-N 1 0 268.426 2.148 10 0 CEAERO COCC[NH2+]C[C@@H](O)Cc1csc2ccccc12 ZINC000091467399 180164315 /nfs/dbraw/zinc/16/43/15/180164315.db2.gz VYWNEARSSYWRNZ-LBPRGKRZSA-N 1 0 265.378 2.041 10 0 CEAERO C[NH2+]CC1CC(Oc2nc3ccccc3nc2C)C1 ZINC000091471693 180165349 /nfs/dbraw/zinc/16/53/49/180165349.db2.gz IPLSADZNOWPDTD-UHFFFAOYSA-N 1 0 257.337 2.315 10 0 CEAERO [NH3+]CC1CN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000091487602 180167682 /nfs/dbraw/zinc/16/76/82/180167682.db2.gz CZRXMUWGDPXSFL-UHFFFAOYSA-N 1 0 265.666 2.149 10 0 CEAERO CC1(C)C(C(=O)N[C@H]2c3ccccc3C[C@H]2[NH3+])C1(C)C ZINC000091494708 180171271 /nfs/dbraw/zinc/17/12/71/180171271.db2.gz KTNRRRKFWJUGFR-OLZOCXBDSA-N 1 0 272.392 2.410 10 0 CEAERO Cc1ccc(CCC(=O)N[C@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000091496261 180171891 /nfs/dbraw/zinc/17/18/91/180171891.db2.gz MAMXGBSTWWFYLG-HIFRSBDPSA-N 1 0 260.381 2.184 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000091496774 180172438 /nfs/dbraw/zinc/17/24/38/180172438.db2.gz AUUUXJWEZUITJU-BVOGVELGSA-N 1 0 291.439 2.395 10 0 CEAERO O=C(N[C@@H](c1cccs1)C1CCCC1)C1C[NH2+]C1 ZINC000091395842 180146667 /nfs/dbraw/zinc/14/66/67/180146667.db2.gz OHYJHOPDTRQTSP-CYBMUJFWSA-N 1 0 264.394 2.315 10 0 CEAERO C[C@@H](O)C(C)(C)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000091405646 180147860 /nfs/dbraw/zinc/14/78/60/180147860.db2.gz IKBAIMXHFFRXEQ-OAHLLOKOSA-N 1 0 276.424 2.211 10 0 CEAERO CCN(c1cncc(C[NH2+]CC(C)C)n1)C(C)C ZINC000091419102 180150525 /nfs/dbraw/zinc/15/05/25/180150525.db2.gz GWJFAKVHYDOXCN-UHFFFAOYSA-N 1 0 250.390 2.457 10 0 CEAERO CCC[NH2+]Cc1cncc(N(C)[C@H](C)C(C)C)n1 ZINC000091419393 180150702 /nfs/dbraw/zinc/15/07/02/180150702.db2.gz BHTXSHXIORZCLJ-GFCCVEGCSA-N 1 0 250.390 2.457 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]CC2CC(O)C2)C12CCCC2 ZINC000091424317 180151393 /nfs/dbraw/zinc/15/13/93/180151393.db2.gz NBGOMRZIYDGXIE-NWINJMCUSA-N 1 0 253.386 2.085 10 0 CEAERO OC1CC([NH2+][C@H](c2ccccc2)c2ccccn2)C1 ZINC000091424998 180151943 /nfs/dbraw/zinc/15/19/43/180151943.db2.gz BMJWUHFRAXQGAZ-ZBCRRDGASA-N 1 0 254.333 2.284 10 0 CEAERO CC(C)N1C(=O)C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1=O ZINC000105076619 186040584 /nfs/dbraw/zinc/04/05/84/186040584.db2.gz BFZPVWXWMGNICI-GWCFXTLKSA-N 1 0 278.327 2.012 10 0 CEAERO Cc1ccc(C[C@H](O)C(C)(C)[NH+]2CCOCC2)cc1C ZINC000091565964 180194122 /nfs/dbraw/zinc/19/41/22/180194122.db2.gz YXPDSJYLSDBSCQ-INIZCTEOSA-N 1 0 277.408 2.318 10 0 CEAERO C[NH2+][C@H](CC1CCCC1)C(C)(C)N1CCOCC1 ZINC000091566449 180194274 /nfs/dbraw/zinc/19/42/74/180194274.db2.gz MGHKKACQOCVXNU-CQSZACIVSA-N 1 0 254.418 2.266 10 0 CEAERO CC(C)([C@@H](O)Cc1ccnc(N)c1)[NH+]1CCCCCC1 ZINC000091567531 180194664 /nfs/dbraw/zinc/19/46/64/180194664.db2.gz VQHVPEZLAJRMQI-AWEZNQCLSA-N 1 0 277.412 2.222 10 0 CEAERO Cn1cc([C@H](N)C(C)(C)[NH+]2CCCCCC2)cn1 ZINC000091567946 180194892 /nfs/dbraw/zinc/19/48/92/180194892.db2.gz LTTCYAKJEMLTRB-ZDUSSCGKSA-N 1 0 250.390 2.075 10 0 CEAERO CC[NH2+][C@H](CC1CCC1)C(C)(C)N1CCOCC1 ZINC000091567045 180195056 /nfs/dbraw/zinc/19/50/56/180195056.db2.gz SPCSWWPECCXXLB-CQSZACIVSA-N 1 0 254.418 2.266 10 0 CEAERO CCCn1ccnc1[C@H](NC)[C@](C)(CC)[NH+](C)C ZINC000091570786 180195506 /nfs/dbraw/zinc/19/55/06/180195506.db2.gz XDPVQLMXAYOZOU-JSGCOSHPSA-N 1 0 252.406 2.284 10 0 CEAERO CC[C@](C)([C@H](N)c1ccc2c(c1)OCCO2)[NH+](C)C ZINC000091569881 180195676 /nfs/dbraw/zinc/19/56/76/180195676.db2.gz XPGWPINFESZMKG-HUUCEWRRSA-N 1 0 264.369 2.188 10 0 CEAERO CCC[NH2+][C@H](Cc1cnccc1N)[C@](C)(CC)N(C)C ZINC000091571799 180196203 /nfs/dbraw/zinc/19/62/03/180196203.db2.gz HXEBXYUBJYJXQB-CVEARBPZSA-N 1 0 278.444 2.305 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@H](O)Cc1cccnc1N ZINC000091573221 180196222 /nfs/dbraw/zinc/19/62/22/180196222.db2.gz CNDKRFHGYHGBOX-UKRRQHHQSA-N 1 0 265.401 2.078 10 0 CEAERO CCc1cc(C[C@H](N)[C@@](C)(CC)[NH+](CC)CC)n(C)n1 ZINC000091573872 180196332 /nfs/dbraw/zinc/19/63/32/180196332.db2.gz IKYQQAGCYKWXHS-JKSUJKDBSA-N 1 0 280.460 2.363 10 0 CEAERO CCn1cc(C[C@@H](O)[C@](C)(CC)[NH+](CC)CC)cn1 ZINC000091572940 180196367 /nfs/dbraw/zinc/19/63/67/180196367.db2.gz JHGNJTUNBSLLHD-CABCVRRESA-N 1 0 267.417 2.317 10 0 CEAERO CCN[C@H](c1nccn1CC)[C@](C)(CC)[NH+](C)C ZINC000091571472 180196586 /nfs/dbraw/zinc/19/65/86/180196586.db2.gz LOPGYFKQMSQKKV-OCCSQVGLSA-N 1 0 252.406 2.284 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CNc1c(N)c(C(C)C)nn1C ZINC000091576881 180197864 /nfs/dbraw/zinc/19/78/64/180197864.db2.gz AEUIRJMTLUHQNA-LLVKDONJSA-N 1 0 265.405 2.022 10 0 CEAERO CC[C@@](C)([C@@H](Cc1ncnn1C(C)C)[NH2+]C)N1CCCC1 ZINC000091607026 180204266 /nfs/dbraw/zinc/20/42/66/180204266.db2.gz DRSIPJOFJCNQDP-ZBFHGGJFSA-N 1 0 293.459 2.254 10 0 CEAERO CC[C@@](C)([C@H]([NH2+]C)c1cncnc1)N1CCCCC1 ZINC000091609653 180205450 /nfs/dbraw/zinc/20/54/50/180205450.db2.gz WACQUKVVJCWXCL-CABCVRRESA-N 1 0 262.401 2.392 10 0 CEAERO CC[C@](C)([C@@H](O)Cc1cccc(F)c1)[NH+]1CCOCC1 ZINC000091610984 180205592 /nfs/dbraw/zinc/20/55/92/180205592.db2.gz FSWFRXPJNBMBMH-JKSUJKDBSA-N 1 0 281.371 2.230 10 0 CEAERO CC[C@@](C)([C@@H](N)c1cnccc1N)[NH+]1CCCCC1 ZINC000091609139 180205929 /nfs/dbraw/zinc/20/59/29/180205929.db2.gz MLKXPDJOYCDVSL-GJZGRUSLSA-N 1 0 262.401 2.318 10 0 CEAERO CC[C@](C)([C@@H](Cc1cnccc1N)[NH2+]C)N1CCCCC1 ZINC000091609682 180206012 /nfs/dbraw/zinc/20/60/12/180206012.db2.gz XSKMDPSOOPTRCT-IAGOWNOFSA-N 1 0 290.455 2.449 10 0 CEAERO CC[C@@](C)([C@@H]([NH3+])Cc1ccncc1Cl)N1CCOCC1 ZINC000091611711 180206849 /nfs/dbraw/zinc/20/68/49/180206849.db2.gz UNTZEHVBRVDCGL-GJZGRUSLSA-N 1 0 297.830 2.106 10 0 CEAERO CC[C@](C)([C@H](CCC[C@@H]1CCCO1)[NH2+]C)N1CCOCC1 ZINC000091612680 180207050 /nfs/dbraw/zinc/20/70/50/180207050.db2.gz JQTLNGGXZFUZDY-IXDOHACOSA-N 1 0 298.471 2.425 10 0 CEAERO CC[C@](C)([C@@H]([NH3+])Cc1cccc(OC)c1)N1CCOCC1 ZINC000091612032 180207092 /nfs/dbraw/zinc/20/70/92/180207092.db2.gz KPRPNJFAFLYZBS-DLBZAZTESA-N 1 0 292.423 2.066 10 0 CEAERO CC[C@](C)([C@H]([NH3+])c1ccc(F)cc1)N1CCOCC1 ZINC000091611986 180207298 /nfs/dbraw/zinc/20/72/98/180207298.db2.gz RBONMUVAGNMUSA-HUUCEWRRSA-N 1 0 266.360 2.326 10 0 CEAERO CC[C@@](C)([C@@H]([NH3+])c1ccc(F)cc1)N1CCOCC1 ZINC000091611987 180207309 /nfs/dbraw/zinc/20/73/09/180207309.db2.gz RBONMUVAGNMUSA-GJZGRUSLSA-N 1 0 266.360 2.326 10 0 CEAERO CC[C@](C)([C@H]([NH2+]C)c1cnccc1C)N1CCOCC1 ZINC000091612602 180207367 /nfs/dbraw/zinc/20/73/67/180207367.db2.gz IRFVFBCRHZYPMD-HZPDHXFCSA-N 1 0 277.412 2.151 10 0 CEAERO CC[NH+](CC)C(CC)(CC)[C@H](O)CCCS(C)(=O)=O ZINC000091615533 180207732 /nfs/dbraw/zinc/20/77/32/180207732.db2.gz HVHKSNKXISKTAJ-CYBMUJFWSA-N 1 0 293.473 2.073 10 0 CEAERO CC[NH+](CC)C(CC)(CC)[C@@H](O)c1ccnn1C ZINC000091615748 180208095 /nfs/dbraw/zinc/20/80/95/180208095.db2.gz UUAPLAMCNUWTBC-ZDUSSCGKSA-N 1 0 253.390 2.354 10 0 CEAERO Cc1nc(NC(=O)C[C@@H]2CC[NH2+]C2)ccc1Br ZINC000091507191 180176123 /nfs/dbraw/zinc/17/61/23/180176123.db2.gz BQDATERIODKRCL-VIFPVBQESA-N 1 0 298.184 2.091 10 0 CEAERO Cc1nc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])ccc1Br ZINC000091507025 180176293 /nfs/dbraw/zinc/17/62/93/180176293.db2.gz URFAKEDHLZVJRT-PSASIEDQSA-N 1 0 298.184 2.218 10 0 CEAERO Cc1cc(F)cc(N[C@]2(CO)CCC[N@@H+](C)CC2)c1 ZINC000091518417 180177655 /nfs/dbraw/zinc/17/76/55/180177655.db2.gz NVRSYHVVMROPPY-OAHLLOKOSA-N 1 0 266.360 2.393 10 0 CEAERO CCCn1c(C[C@@](C)(O)C[NH3+])nc2cccc(Cl)c21 ZINC000091519606 180178098 /nfs/dbraw/zinc/17/80/98/180178098.db2.gz FMLQPCAQXBXCRR-CQSZACIVSA-N 1 0 281.787 2.352 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+]CC2CC(O)C2)C12CCCCC2 ZINC000091524456 180178343 /nfs/dbraw/zinc/17/83/43/180178343.db2.gz WALBSXVQWIKKND-CVSAEHQPSA-N 1 0 267.413 2.475 10 0 CEAERO COc1ccc(C)cc1C[C@H](N)C(C)(C)[NH+](C)C ZINC000091528349 180179581 /nfs/dbraw/zinc/17/95/81/180179581.db2.gz HLWZVXJPSHKOJR-AWEZNQCLSA-N 1 0 250.386 2.214 10 0 CEAERO COc1ccc(C[C@@H](O)C(C)(C)[NH+](C)C)cc1F ZINC000091528295 180179866 /nfs/dbraw/zinc/17/98/66/180179866.db2.gz ZIJRKXYFXZABCQ-CYBMUJFWSA-N 1 0 255.333 2.078 10 0 CEAERO CCCn1ccnc1[C@@H]([NH2+]CC)C(C)(C)N(C)C ZINC000091529183 180180359 /nfs/dbraw/zinc/18/03/59/180180359.db2.gz PITGTNDHTZBIGT-GFCCVEGCSA-N 1 0 252.406 2.284 10 0 CEAERO CCCn1ncnc1C[C@H]([NH2+]CC)C(C)(C)N(CC)CC ZINC000091531766 180180777 /nfs/dbraw/zinc/18/07/77/180180777.db2.gz JVAXVANUCIYGIM-AWEZNQCLSA-N 1 0 295.475 2.329 10 0 CEAERO Cc1nc(C[C@H]([NH3+])C(C)(C)N2CCCC2)cs1 ZINC000091533946 180181442 /nfs/dbraw/zinc/18/14/42/180181442.db2.gz OIHAGSVVHRRPCC-LBPRGKRZSA-N 1 0 253.415 2.196 10 0 CEAERO CCC[NH2+][C@@H](c1cnccn1)C(C)(C)N1CCCC1 ZINC000091536152 180182097 /nfs/dbraw/zinc/18/20/97/180182097.db2.gz BQZQIEXDOVQCER-AWEZNQCLSA-N 1 0 262.401 2.392 10 0 CEAERO CCn1ccnc1[C@@H](NC)C(C)(C)[NH+]1CCCC1 ZINC000091534801 180182431 /nfs/dbraw/zinc/18/24/31/180182431.db2.gz IDOZPOAAJKZCFN-GFCCVEGCSA-N 1 0 250.390 2.038 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](C(=O)Nc2cnc3ccccc3c2)C1 ZINC000091548034 180187567 /nfs/dbraw/zinc/18/75/67/180187567.db2.gz JBCSLQGSTOTOMR-VXGBXAGGSA-N 1 0 255.321 2.301 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](C(=O)N(Cc2ccsc2)C2CC2)C1 ZINC000091549056 180188277 /nfs/dbraw/zinc/18/82/77/180188277.db2.gz NAHUMFHZWDWBSC-VXGBXAGGSA-N 1 0 264.394 2.367 10 0 CEAERO CCn1nc(C)c(N)c1SCC[NH+](CC)CC ZINC000091550161 180189124 /nfs/dbraw/zinc/18/91/24/180189124.db2.gz DUZGHFRXNLUXPE-UHFFFAOYSA-N 1 0 256.419 2.228 10 0 CEAERO Cc1nn(C)c(C[C@@H](N)C2([NH+](C)C)CCCC2)c1Cl ZINC000091637195 180211066 /nfs/dbraw/zinc/21/10/66/180211066.db2.gz VWUZWUKFOZNKOF-GFCCVEGCSA-N 1 0 284.835 2.126 10 0 CEAERO CCC(CC)([C@@H](N)Cc1ccnc(N)c1)[NH+]1CCCC1 ZINC000091634733 180211700 /nfs/dbraw/zinc/21/17/00/180211700.db2.gz RGRFZXROAGWXFN-AWEZNQCLSA-N 1 0 276.428 2.188 10 0 CEAERO Nc1ncccc1C(=O)C1([NH+]2CCCC2)CCCC1 ZINC000091639955 180211934 /nfs/dbraw/zinc/21/19/34/180211934.db2.gz WTBKZZVPRYNWPB-UHFFFAOYSA-N 1 0 259.353 2.255 10 0 CEAERO CC[NH+](CC)C1([C@@H](N)c2nccn2C)CCCC1 ZINC000091639169 180211978 /nfs/dbraw/zinc/21/19/78/180211978.db2.gz OKSKJLKKALRIME-LBPRGKRZSA-N 1 0 250.390 2.075 10 0 CEAERO CC[NH+](CC)C1([C@H](N)c2cccnc2N)CCCC1 ZINC000091639374 180212157 /nfs/dbraw/zinc/21/21/57/180212157.db2.gz DZVRJMOSTQSDBP-CYBMUJFWSA-N 1 0 262.401 2.318 10 0 CEAERO CN[C@H](c1ccnn1C)C1([NH+]2CCCC2)CCCC1 ZINC000091640984 180213142 /nfs/dbraw/zinc/21/31/42/180213142.db2.gz KKIKLZVNKGVXEA-CQSZACIVSA-N 1 0 262.401 2.089 10 0 CEAERO Nc1ncccc1[C@@H](N)C1([NH+]2CCCCC2)CCCC1 ZINC000091642060 180213219 /nfs/dbraw/zinc/21/32/19/180213219.db2.gz LFOAYSHGJFNDNF-CQSZACIVSA-N 1 0 274.412 2.462 10 0 CEAERO CCCC[C@H]([NH2+]C)C1(N2CCOCC2)CCCC1 ZINC000091643105 180214114 /nfs/dbraw/zinc/21/41/14/180214114.db2.gz SYMPAGJGPRDUGV-AWEZNQCLSA-N 1 0 254.418 2.410 10 0 CEAERO CC1CCC([C@H](N)Cc2cccnc2N)([NH+](C)C)CC1 ZINC000091648813 180216245 /nfs/dbraw/zinc/21/62/45/180216245.db2.gz RRXQKKGEBREBKA-CXOJTPOUSA-N 1 0 276.428 2.044 10 0 CEAERO Cc1cc(C[C@H](N)C2([NH+](C)C)CCC(C)CC2)n(C)n1 ZINC000091648889 180216497 /nfs/dbraw/zinc/21/64/97/180216497.db2.gz MGZWCJNTKRSXKK-NRAUKZCXSA-N 1 0 278.444 2.109 10 0 CEAERO Cn1ccnc1[C@H](N)C1([NH+](C)C)CCCCCC1 ZINC000091654143 180216805 /nfs/dbraw/zinc/21/68/05/180216805.db2.gz WLXSNNJRFGNYLX-LBPRGKRZSA-N 1 0 250.390 2.075 10 0 CEAERO C[NH+](C)C1([C@H](N)C2CCOCC2)CCCCCC1 ZINC000091654052 180216810 /nfs/dbraw/zinc/21/68/10/180216810.db2.gz JKEUELSEEKJKRQ-CQSZACIVSA-N 1 0 254.418 2.395 10 0 CEAERO CCn1ncnc1C[C@H]([NH2+]C)C1(N(C)C)CCCCCC1 ZINC000091654615 180217075 /nfs/dbraw/zinc/21/70/75/180217075.db2.gz JNVDUCOPQXFMCN-AWEZNQCLSA-N 1 0 293.459 2.083 10 0 CEAERO CC[NH+](CC)CCCNc1nc(Cl)ncc1F ZINC000091655228 180217218 /nfs/dbraw/zinc/21/72/18/180217218.db2.gz BGPDSXUZIVDNLG-UHFFFAOYSA-N 1 0 260.744 2.413 10 0 CEAERO C[C@H](CNc1nc(Cl)ncc1F)C[NH+]1CCCC1 ZINC000091655664 180217752 /nfs/dbraw/zinc/21/77/52/180217752.db2.gz JMTKIDAOZZEBMF-SECBINFHSA-N 1 0 272.755 2.413 10 0 CEAERO CN(C)Cc1noc(CC[C@@H](CC[NH3+])C(C)(C)C)n1 ZINC000091685235 180225889 /nfs/dbraw/zinc/22/58/89/180225889.db2.gz MFSJBXLOFOKXGA-NSHDSACASA-N 1 0 268.405 2.075 10 0 CEAERO CCCN[C@@H](CC[NH+](CC)CC)c1nccn1C ZINC000091716826 180232636 /nfs/dbraw/zinc/23/26/36/180232636.db2.gz MTCKQYCHWAEPBC-ZDUSSCGKSA-N 1 0 252.406 2.193 10 0 CEAERO O[C@H](c1cccc(Cl)c1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091715459 180232718 /nfs/dbraw/zinc/23/27/18/180232718.db2.gz ZWTPXANSOARXJO-HZSPNIEDSA-N 1 0 267.756 2.237 10 0 CEAERO C[NH2+][C@H](c1ccccc1C(F)(F)F)[C@@H]1CN(C)CCO1 ZINC000091717727 180232928 /nfs/dbraw/zinc/23/29/28/180232928.db2.gz YMXOENWVMLLFDP-QWHCGFSZSA-N 1 0 288.313 2.297 10 0 CEAERO CCCN[C@H](CC[NH+](CC)CC)c1cccnc1N ZINC000091717021 180232966 /nfs/dbraw/zinc/23/29/66/180232966.db2.gz MDWLIPFXHLDSEG-CQSZACIVSA-N 1 0 264.417 2.436 10 0 CEAERO CC[NH2+][C@H](c1ccc(OCC)cc1)[C@@H]1CN(C)CCO1 ZINC000091718407 180233121 /nfs/dbraw/zinc/23/31/21/180233121.db2.gz PQPCNNXCLJMQIN-JKSUJKDBSA-N 1 0 278.396 2.067 10 0 CEAERO C[NH2+][C@@H](Cc1csc2ccccc12)[C@H]1CN(C)CCO1 ZINC000091718168 180233204 /nfs/dbraw/zinc/23/32/04/180233204.db2.gz RALNDPPQFUMKRW-LSDHHAIUSA-N 1 0 290.432 2.362 10 0 CEAERO CCC[NH2+][C@H](c1ccccc1C)[C@H]1CN(C)CCO1 ZINC000091718937 180233246 /nfs/dbraw/zinc/23/32/46/180233246.db2.gz NPXKSYLMOPMWAB-HZPDHXFCSA-N 1 0 262.397 2.366 10 0 CEAERO CC[NH2+][C@@H](Cc1ccc2c(c1)CCC2)[C@@H]1CN(C)CCO1 ZINC000091718238 180233419 /nfs/dbraw/zinc/23/34/19/180233419.db2.gz VQYWOMCSGICTGY-ROUUACIJSA-N 1 0 288.435 2.027 10 0 CEAERO CC[NH2+][C@@H](c1ccccc1OCC)[C@@H]1CN(C)CCO1 ZINC000091718790 180233505 /nfs/dbraw/zinc/23/35/05/180233505.db2.gz ULLXLEIVKSPFTN-HOTGVXAUSA-N 1 0 278.396 2.067 10 0 CEAERO CCC[NH2+][C@H](CC1CCOCC1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091722111 180239626 /nfs/dbraw/zinc/23/96/26/180239626.db2.gz SACBYFHZWWYSOE-BRWVUGGUSA-N 1 0 296.455 2.035 10 0 CEAERO CCC[NH2+][C@H](c1ccc(OC)cc1C)[C@@H]1CN(C)CCO1 ZINC000091719555 180234037 /nfs/dbraw/zinc/23/40/37/180234037.db2.gz WRYPKBQDIQLRBQ-DLBZAZTESA-N 1 0 292.423 2.375 10 0 CEAERO C[NH2+][C@@H](CN(C)C)c1cccc(OC(F)(F)F)c1 ZINC000091719638 180234210 /nfs/dbraw/zinc/23/42/10/180234210.db2.gz CKDHRBARUKAGTD-NSHDSACASA-N 1 0 262.275 2.407 10 0 CEAERO CCC[NH2+][C@H](CCC[C@H]1CCCO1)[C@@H]1CN(C)CCO1 ZINC000091719481 180234339 /nfs/dbraw/zinc/23/43/39/180234339.db2.gz XKLQOFYJLSMQHR-XHSDSOJGSA-N 1 0 284.444 2.035 10 0 CEAERO CCC[NH2+][C@@H](c1cccc(F)c1)[C@@H]1CN(C)CCO1 ZINC000091719262 180234410 /nfs/dbraw/zinc/23/44/10/180234410.db2.gz FGKYVKMLMMOBAU-GJZGRUSLSA-N 1 0 266.360 2.197 10 0 CEAERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1ccccc1OC(F)F ZINC000624235365 350238378 /nfs/dbraw/zinc/23/83/78/350238378.db2.gz JEKUVBWIWVQAFQ-DLOVCJGASA-N 1 0 287.306 2.088 10 0 CEAERO C[NH2+][C@H](c1cc(C)ccc1F)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721321 180237676 /nfs/dbraw/zinc/23/76/76/180237676.db2.gz AIRXRNNGUODDBF-UHOFOFEASA-N 1 0 278.371 2.258 10 0 CEAERO CC[NH2+][C@H](CC1CCCC1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721563 180237979 /nfs/dbraw/zinc/23/79/79/180237979.db2.gz BNFQFJCZIKIREB-BZUAXINKSA-N 1 0 266.429 2.408 10 0 CEAERO CN[C@H](c1cc(C)ccc1OC)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721461 180238384 /nfs/dbraw/zinc/23/83/84/180238384.db2.gz FMZAXTBTUODTTN-XOKHGSTOSA-N 1 0 290.407 2.127 10 0 CEAERO CCc1ccc(C(=O)N2CCC[C@H]2CCC[NH3+])o1 ZINC000091777327 180252018 /nfs/dbraw/zinc/25/20/18/180252018.db2.gz OXGYPTNRDCHJSB-LLVKDONJSA-N 1 0 250.342 2.186 10 0 CEAERO COC(=O)c1ccc([C@@H](C)[N@@H+]2CCCC[C@@H]2CCO)o1 ZINC000091780242 180252880 /nfs/dbraw/zinc/25/28/80/180252880.db2.gz OXRAHMIULANWHZ-VXGBXAGGSA-N 1 0 281.352 2.364 10 0 CEAERO C[C@H]([NH3+])[C@H](c1cnn(C)c1)n1ccnc1-c1ccccc1 ZINC000105554331 186063307 /nfs/dbraw/zinc/06/33/07/186063307.db2.gz KKFFRHIVBAXZCC-SWLSCSKDSA-N 1 0 281.363 2.220 10 0 CEAERO CC[NH2+][C@H]1CCCc2nc([C@H]3CN(C)CCO3)sc21 ZINC000091722469 180241065 /nfs/dbraw/zinc/24/10/65/180241065.db2.gz SXOIIJBXNRBQRX-CMPLNLGQSA-N 1 0 281.425 2.133 10 0 CEAERO CC[NH2+][C@H](C)c1cccn1CC(=O)N[C@@H](C)C(C)C ZINC000091801756 180259276 /nfs/dbraw/zinc/25/92/76/180259276.db2.gz GHPSPUROQDKHTD-QWHCGFSZSA-N 1 0 265.401 2.319 10 0 CEAERO C[NH+]1CCN(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000091730691 180242934 /nfs/dbraw/zinc/24/29/34/180242934.db2.gz NXYNNKRIULJCQO-AWEZNQCLSA-N 1 0 293.798 2.080 10 0 CEAERO CCC[NH2+][C@@H](Cc1nc(CN(C)C)no1)c1ccccc1 ZINC000091747652 180245479 /nfs/dbraw/zinc/24/54/79/180245479.db2.gz JRERIHNIJUGRKW-AWEZNQCLSA-N 1 0 288.395 2.415 10 0 CEAERO CCCN(C1CCC([NH3+])CC1)S(=O)(=O)C(C)(C)C ZINC000091852192 180272776 /nfs/dbraw/zinc/27/27/76/180272776.db2.gz CDVCCWTZLYOMNF-UHFFFAOYSA-N 1 0 276.446 2.097 10 0 CEAERO CCCN(C(=O)[C@H]1CCSC1)C1CCC([NH3+])CC1 ZINC000091851959 180272894 /nfs/dbraw/zinc/27/28/94/180272894.db2.gz IQXCOUZTQQADPY-HIFPTAJRSA-N 1 0 270.442 2.248 10 0 CEAERO Cc1cc(C[N@@H+](C)C2CCC3(CC2)OCCO3)no1 ZINC000091853489 180273518 /nfs/dbraw/zinc/27/35/18/180273518.db2.gz QYKLYDYLOGQFFF-UHFFFAOYSA-N 1 0 266.341 2.101 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccn(CCC(=O)NC(C)C)c1 ZINC000091805853 180260438 /nfs/dbraw/zinc/26/04/38/180260438.db2.gz COZOTQONYVKPRJ-ZDUSSCGKSA-N 1 0 265.401 2.463 10 0 CEAERO CCCCNC(=O)Cn1ccc([C@H](CC)[NH2+]CC)c1 ZINC000091817232 180263201 /nfs/dbraw/zinc/26/32/01/180263201.db2.gz UXKCWDJXPCGSPY-AWEZNQCLSA-N 1 0 265.401 2.465 10 0 CEAERO CCC[C@@H]([NH2+]CC)c1ccn(CC(=O)N(C)C)c1 ZINC000091822579 180264058 /nfs/dbraw/zinc/26/40/58/180264058.db2.gz LYPCYIYQHMSZRK-CYBMUJFWSA-N 1 0 251.374 2.027 10 0 CEAERO CCC[C@H]([NH2+]C)c1ccn(CC(=O)N(CC)CC)c1 ZINC000091821737 180264150 /nfs/dbraw/zinc/26/41/50/180264150.db2.gz REUCNKYNGSDDDQ-AWEZNQCLSA-N 1 0 265.401 2.417 10 0 CEAERO CC[NH2+][C@H](c1ccn(CCC(=O)N(C)C)c1)C(C)C ZINC000091827566 180264431 /nfs/dbraw/zinc/26/44/31/180264431.db2.gz XOAODQDXGSPISU-HNNXBMFYSA-N 1 0 265.401 2.273 10 0 CEAERO CCC[NH2+][C@H](c1ccn(CC(=O)NCC)c1)C1CC1 ZINC000091839361 180268393 /nfs/dbraw/zinc/26/83/93/180268393.db2.gz AJZRYPAREJASMY-HNNXBMFYSA-N 1 0 263.385 2.075 10 0 CEAERO CN(c1cnc2ccccc2n1)C1CCC([NH3+])CC1 ZINC000091849548 180271497 /nfs/dbraw/zinc/27/14/97/180271497.db2.gz LZZREGDYXLZESM-UHFFFAOYSA-N 1 0 256.353 2.336 10 0 CEAERO CCc1cccc(C)c1NC(=O)CSC(N)=[NH2+] ZINC000105650921 186067148 /nfs/dbraw/zinc/06/71/48/186067148.db2.gz PPEODXSYVHKZRD-UHFFFAOYSA-N 1 0 251.355 2.123 10 0 CEAERO Cc1nc([C@H]2COc3ccccc3O2)sc1CC[NH3+] ZINC000091960373 180292025 /nfs/dbraw/zinc/29/20/25/180292025.db2.gz LJVPSTGXHBPVHH-GFCCVEGCSA-N 1 0 276.361 2.465 10 0 CEAERO CC(C)[NH2+]Cc1ncoc1-c1cccc(S(C)(=O)=O)c1 ZINC000091958481 180292350 /nfs/dbraw/zinc/29/23/50/180292350.db2.gz JUGHGNRTMUQESB-UHFFFAOYSA-N 1 0 294.376 2.243 10 0 CEAERO CCC[NH2+][C@H](C)c1csc(NC(=O)N(C)C)n1 ZINC000091960695 180292397 /nfs/dbraw/zinc/29/23/97/180292397.db2.gz NDBCPNDJCGRIIO-MRVPVSSYSA-N 1 0 256.375 2.297 10 0 CEAERO C[NH2+]C1CCC(Nc2cc(C)ccc2C(N)=O)CC1 ZINC000091873432 180277749 /nfs/dbraw/zinc/27/77/49/180277749.db2.gz RLXNGRVOFMJHIP-UHFFFAOYSA-N 1 0 261.369 2.036 10 0 CEAERO CC1CCC(C[NH3+])(NC(=O)N2CCCCC2)CC1 ZINC000091969078 180294662 /nfs/dbraw/zinc/29/46/62/180294662.db2.gz OCNAWFLURYKJIF-UHFFFAOYSA-N 1 0 253.390 2.090 10 0 CEAERO CC[C@@](O)(C(C)C)[C@@]1(C[NH3+])CCOc2ccccc21 ZINC000091906651 180283925 /nfs/dbraw/zinc/28/39/25/180283925.db2.gz FZERNXJNHUVXAV-HZPDHXFCSA-N 1 0 263.381 2.463 10 0 CEAERO Cc1ccc([C@@H](O)[C@]2(C[NH3+])CCOc3ccccc32)o1 ZINC000091909184 180284569 /nfs/dbraw/zinc/28/45/69/180284569.db2.gz NIJZVWWRRILTLD-CVEARBPZSA-N 1 0 273.332 2.301 10 0 CEAERO CC[C@@H](C[NH3+])[C@H](O)c1ccc(OC)c(OC(F)F)c1 ZINC000091909135 180284595 /nfs/dbraw/zinc/28/45/95/180284595.db2.gz RTVSLLIOHGQNKN-UFBFGSQYSA-N 1 0 275.295 2.315 10 0 CEAERO CCOc1cc2c(cc1[C@H](O)C(C)(C)C[NH3+])O[C@@H](C)C2 ZINC000091909261 180284786 /nfs/dbraw/zinc/28/47/86/180284786.db2.gz CSHCIPUTICVASO-BONVTDFDSA-N 1 0 279.380 2.427 10 0 CEAERO COc1cc(OC)c([C@H](O)C2(C[NH3+])CCCC2)c(OC)c1 ZINC000091909145 180284840 /nfs/dbraw/zinc/28/48/40/180284840.db2.gz AEQWFFMFQWDCEB-HNNXBMFYSA-N 1 0 295.379 2.265 10 0 CEAERO [NH3+]C[C@]1([C@H](O)c2ccccc2F)COc2ccccc2C1 ZINC000091910779 180285098 /nfs/dbraw/zinc/28/50/98/180285098.db2.gz ZLCNMJVERRLCOY-SJORKVTESA-N 1 0 287.334 2.439 10 0 CEAERO C[C@H](NC(=O)N1CCCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000091971196 180294929 /nfs/dbraw/zinc/29/49/29/180294929.db2.gz XTVDLLAHHWVMNX-STQMWFEESA-N 1 0 253.390 2.103 10 0 CEAERO Cc1cc(C)c([C@H](O)C2(C[NH3+])CCOCC2)c(C)c1 ZINC000091911187 180285362 /nfs/dbraw/zinc/28/53/62/180285362.db2.gz GFVQKORCMXVIMP-HNNXBMFYSA-N 1 0 263.381 2.401 10 0 CEAERO [NH3+]C[C@@]1([C@H](O)c2cccc3ccccc32)CCOC1 ZINC000091910288 180285364 /nfs/dbraw/zinc/28/53/64/180285364.db2.gz URNSWMIQCIAWLQ-CVEARBPZSA-N 1 0 257.333 2.239 10 0 CEAERO CCC[C@H]1C[C@](O)(C2(C[NH3+])Cc3ccccc3C2)CCO1 ZINC000091918785 180286824 /nfs/dbraw/zinc/28/68/24/180286824.db2.gz VUAZPEZYPSNIII-WMZOPIPTSA-N 1 0 289.419 2.441 10 0 CEAERO CC(C)n1cncc1[C@H](O)C1(C[NH3+])Cc2ccccc2C1 ZINC000091926550 180287302 /nfs/dbraw/zinc/28/73/02/180287302.db2.gz YQNLXONSJSOSCU-INIZCTEOSA-N 1 0 285.391 2.241 10 0 CEAERO C[C@H]1CCC[C@@H](CNC(=O)N2CCCCCC2)[NH2+]1 ZINC000091971214 180295094 /nfs/dbraw/zinc/29/50/94/180295094.db2.gz IPXPLLCDXYUQBL-STQMWFEESA-N 1 0 253.390 2.103 10 0 CEAERO CCC1CCC(C[NH3+])([C@H](O)c2cncn2CC)CC1 ZINC000091926321 180287436 /nfs/dbraw/zinc/28/74/36/180287436.db2.gz AJEXLEFLWYLEDB-HNFVBEJKSA-N 1 0 265.401 2.482 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@@H]2CCCc3sccc32)C1 ZINC000092052688 180312652 /nfs/dbraw/zinc/31/26/52/180312652.db2.gz QMZHBBCCUTXATH-GXTWGEPZSA-N 1 0 280.437 2.436 10 0 CEAERO CN1CCO[C@H](COc2cccc(C[NH2+]C(C)(C)C)c2)C1 ZINC000092054522 180313929 /nfs/dbraw/zinc/31/39/29/180313929.db2.gz CHHVOCVGDUHGOK-INIZCTEOSA-N 1 0 292.423 2.284 10 0 CEAERO C[C@H]1CCC[C@H](CNC(=O)N2CCCCCC2)[NH2+]1 ZINC000091971212 180295119 /nfs/dbraw/zinc/29/51/19/180295119.db2.gz IPXPLLCDXYUQBL-QWHCGFSZSA-N 1 0 253.390 2.103 10 0 CEAERO [NH3+]CCCN(Cc1cccnc1)C(=O)N1CCCCCC1 ZINC000091971016 180295141 /nfs/dbraw/zinc/29/51/41/180295141.db2.gz GQZFBGZYNXGKGA-UHFFFAOYSA-N 1 0 290.411 2.228 10 0 CEAERO CCN(C(=O)N1CCC[C@H](C)C1)C1CCC([NH3+])CC1 ZINC000091991691 180300031 /nfs/dbraw/zinc/30/00/31/180300031.db2.gz JEVLPNFTOLEMDZ-HSBZDZAISA-N 1 0 267.417 2.430 10 0 CEAERO C[C@@H]1CCCN(C(=O)N(CC(N)=[NH2+])C2CCCC2)C1 ZINC000091993444 180300509 /nfs/dbraw/zinc/30/05/09/180300509.db2.gz GDZVAAORICEVKH-LLVKDONJSA-N 1 0 266.389 2.019 10 0 CEAERO C[C@@H]1CCCN(C(=O)Nc2cccc(OCC(N)=[NH2+])c2)C1 ZINC000091993386 180300553 /nfs/dbraw/zinc/30/05/53/180300553.db2.gz WPCJYITXTFLMTG-LLVKDONJSA-N 1 0 290.367 2.265 10 0 CEAERO CCC(CC)N(CC[NH3+])C(=O)N1CCC[C@@H](C)C1 ZINC000091993177 180300615 /nfs/dbraw/zinc/30/06/15/180300615.db2.gz CHYXXHNHCZQUAB-GFCCVEGCSA-N 1 0 255.406 2.288 10 0 CEAERO Cc1ccc(O)c(C[N@@H+]2CCc3c(N)cccc3C2)n1 ZINC000091996043 180301741 /nfs/dbraw/zinc/30/17/41/180301741.db2.gz UMHUHMFUSMINBO-UHFFFAOYSA-N 1 0 269.348 2.236 10 0 CEAERO CCOC(=O)[C@@H](C)Oc1ccc(C)nc1C[NH2+]C(C)C ZINC000091995542 180301761 /nfs/dbraw/zinc/30/17/61/180301761.db2.gz BSGLQRHBYJVHJR-GFCCVEGCSA-N 1 0 280.368 2.218 10 0 CEAERO COCCCOc1ccc(C)nc1C[NH2+]C(C)C ZINC000091995598 180302359 /nfs/dbraw/zinc/30/23/59/180302359.db2.gz CQWKPOYWFXZUKD-UHFFFAOYSA-N 1 0 252.358 2.303 10 0 CEAERO CCOc1cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(N)cc1F ZINC000092001603 180303508 /nfs/dbraw/zinc/30/35/08/180303508.db2.gz CHAXZJFRKHPMBU-NEPJUHHUSA-N 1 0 293.386 2.480 10 0 CEAERO CC[C@H]([NH3+])Cc1nc(C)ccc1OCc1ncccn1 ZINC000092000384 180303923 /nfs/dbraw/zinc/30/39/23/180303923.db2.gz ISVBOCFGDZYANB-LBPRGKRZSA-N 1 0 272.352 2.039 10 0 CEAERO CCNc1ncccc1CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092002796 180304602 /nfs/dbraw/zinc/30/46/02/180304602.db2.gz YPRUMJYFTGUXAO-CABCVRRESA-N 1 0 274.412 2.182 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)N(C)[C@H](C)c1ccccc1OC ZINC000092134389 180332150 /nfs/dbraw/zinc/33/21/50/180332150.db2.gz FLFCIYZWWVKTCY-NWDGAFQWSA-N 1 0 264.369 2.070 10 0 CEAERO COC(C)(C)c1nc(C)cc(C[NH2+]CC(C)C)n1 ZINC000092140931 180333487 /nfs/dbraw/zinc/33/34/87/180333487.db2.gz TZAVUVJKECTEAN-UHFFFAOYSA-N 1 0 251.374 2.412 10 0 CEAERO CCC[NH2+][C@H](Cc1ncnn1CC(C)C)C(C)(C)OC ZINC000092139848 180333536 /nfs/dbraw/zinc/33/35/36/180333536.db2.gz WHFCSACQOOVRRU-CYBMUJFWSA-N 1 0 282.432 2.270 10 0 CEAERO CC[C@H](C)n1ccc(C[C@H]([NH2+]C)C(C)(C)OC)n1 ZINC000092138864 180333572 /nfs/dbraw/zinc/33/35/72/180333572.db2.gz DXQMTSPKPPJCQQ-AAEUAGOBSA-N 1 0 253.390 2.410 10 0 CEAERO C[NH2+]Cc1cnn(-c2cc(F)c(F)c(F)c2)c1C ZINC000092150289 180334106 /nfs/dbraw/zinc/33/41/06/180334106.db2.gz ZRKOKKXMEMZNPJ-UHFFFAOYSA-N 1 0 255.243 2.317 10 0 CEAERO C[C@@H](O)CCC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000092151326 180334940 /nfs/dbraw/zinc/33/49/40/180334940.db2.gz GIOOYEHQHRXWPD-GDBMZVCRSA-N 1 0 290.407 2.101 10 0 CEAERO CC(C)n1c2ccc(C[NH3+])cc2nc1CC[C@H](C)O ZINC000092150873 180334952 /nfs/dbraw/zinc/33/49/52/180334952.db2.gz HLGBGLRMPATJGB-NSHDSACASA-N 1 0 261.369 2.389 10 0 CEAERO COc1c(C[N@@H+]2CCCC[C@@H](SC)C2)c(C)nn1C ZINC000092064169 180316941 /nfs/dbraw/zinc/31/69/41/180316941.db2.gz ANIFRVYIJAXCMK-GFCCVEGCSA-N 1 0 283.441 2.455 10 0 CEAERO C[C@H]1C[NH+](CC(=O)Nc2ccc(Cl)cc2N)C[C@@H]1C ZINC000092080540 180318668 /nfs/dbraw/zinc/31/86/68/180318668.db2.gz JXDWRAOIMOGITH-UWVGGRQHSA-N 1 0 281.787 2.449 10 0 CEAERO COc1ccc(N)cc1NC(=O)CC[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000092081258 180319178 /nfs/dbraw/zinc/31/91/78/180319178.db2.gz XXNATQXTGJYVLH-VXGBXAGGSA-N 1 0 291.395 2.194 10 0 CEAERO C[C@H]1C[NH+](CC(=O)c2ccc3c(c2)CCO3)C[C@@H]1C ZINC000092086337 180320525 /nfs/dbraw/zinc/32/05/25/180320525.db2.gz JEGUCXVIVSWPKQ-RYUDHWBXSA-N 1 0 259.349 2.392 10 0 CEAERO COc1cc(Cl)c(C)cc1NC(=O)[C@H]1C=C[C@H]([NH3+])C1 ZINC000092201185 180342169 /nfs/dbraw/zinc/34/21/69/180342169.db2.gz UBCGKLADLURUBV-UWVGGRQHSA-N 1 0 280.755 2.499 10 0 CEAERO COc1cc(OC)c(NC(=O)[C@H]2C=C[C@H]([NH3+])C2)cc1Cl ZINC000092201344 180342711 /nfs/dbraw/zinc/34/27/11/180342711.db2.gz LZROBUYTJCUCSP-IUCAKERBSA-N 1 0 296.754 2.199 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)N[C@@H]2CCSc3ccccc32)C1 ZINC000092202308 180342841 /nfs/dbraw/zinc/34/28/41/180342841.db2.gz RDUBGJBJVSQYCD-NQBHXWOUSA-N 1 0 274.389 2.243 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2cc(Cl)ccc2F)C1 ZINC000092201927 180343020 /nfs/dbraw/zinc/34/30/20/180343020.db2.gz ZWDOYGJJYADVBT-VXNVDRBHSA-N 1 0 254.692 2.321 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)Nc2cccc(OC(F)(F)F)c2)C1 ZINC000092201638 180343086 /nfs/dbraw/zinc/34/30/86/180343086.db2.gz QKUCIUHJPDCQIO-DTWKUNHWSA-N 1 0 286.253 2.427 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)Nc2cccc3c(O)cccc23)C1 ZINC000092203539 180343477 /nfs/dbraw/zinc/34/34/77/180343477.db2.gz DIXAXDFYALQBNQ-WDEREUQCSA-N 1 0 268.316 2.387 10 0 CEAERO CSc1ccc([C@H](C)NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)cc1 ZINC000092202971 180343478 /nfs/dbraw/zinc/34/34/78/180343478.db2.gz LEISNFNDGVFKPJ-WCFLWFBJSA-N 1 0 276.405 2.489 10 0 CEAERO C[C@H](NC(=O)[C@H]1C=C[C@@H]([NH3+])C1)c1ccccc1OC(F)F ZINC000092203467 180343518 /nfs/dbraw/zinc/34/35/18/180343518.db2.gz LVRARBKZDGHGEE-GARJFASQSA-N 1 0 296.317 2.369 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2cccc(-n3cccc3)c2)C1 ZINC000092203834 180343661 /nfs/dbraw/zinc/34/36/61/180343661.db2.gz QJJLHMPUQHDMOL-CHWSQXEVSA-N 1 0 267.332 2.319 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)N(Cc2cccs2)C2CC2)C1 ZINC000092204853 180343681 /nfs/dbraw/zinc/34/36/81/180343681.db2.gz YUSQUAZHOKISJR-WDEREUQCSA-N 1 0 262.378 2.143 10 0 CEAERO CCOC(=O)C1CC[NH+](C[C@H]2COc3ccccc32)CC1 ZINC000092305654 180360807 /nfs/dbraw/zinc/36/08/07/180360807.db2.gz TWOBLDBMODBDRE-AWEZNQCLSA-N 1 0 289.375 2.438 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)N2CCC[C@@H]2C2CCCCC2)C1 ZINC000092205280 180344208 /nfs/dbraw/zinc/34/42/08/180344208.db2.gz BKEGWVWBDJDUOX-RRFJBIMHSA-N 1 0 262.397 2.461 10 0 CEAERO Cc1ccc(CN(C(=O)[C@@H]2C=C[C@H]([NH3+])C2)C(C)C)o1 ZINC000092205298 180344287 /nfs/dbraw/zinc/34/42/87/180344287.db2.gz GLSIGIURJYJBQL-OLZOCXBDSA-N 1 0 262.353 2.228 10 0 CEAERO C[C@@H]1c2ccsc2CCN1C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092205830 180344296 /nfs/dbraw/zinc/34/42/96/180344296.db2.gz ZJTXMQBVUPBQEU-GMTAPVOTSA-N 1 0 262.378 2.097 10 0 CEAERO CC(C)c1ccc(CNC(=O)[C@@H]2C=C[C@H]([NH3+])C2)cc1 ZINC000092207112 180344412 /nfs/dbraw/zinc/34/44/12/180344412.db2.gz WBTBODZOYMOVOU-CABCVRRESA-N 1 0 258.365 2.330 10 0 CEAERO CC[C@@H]([NH3+])Cc1nccn1C[C@H]1COc2ccccc21 ZINC000092306329 180360236 /nfs/dbraw/zinc/36/02/36/180360236.db2.gz MOIAXUDKQUKWGG-QWHCGFSZSA-N 1 0 271.364 2.339 10 0 CEAERO [NH3+]Cc1ccccc1CNC(=O)[C@H]1Cc2ccccc2S1 ZINC000092231958 180348582 /nfs/dbraw/zinc/34/85/82/180348582.db2.gz FRLSIGDGBUFINR-MRXNPFEDSA-N 1 0 298.411 2.479 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cc(F)ccc1F ZINC000105872258 186080962 /nfs/dbraw/zinc/08/09/62/186080962.db2.gz MJCLLJOZSQSEKZ-MWLCHTKSSA-N 1 0 278.306 2.222 10 0 CEAERO C[N@H+](CCC(N)=S)C[C@H]1Cc2ccccc2S1 ZINC000092260984 180354250 /nfs/dbraw/zinc/35/42/50/180354250.db2.gz CMAZFTVLNWHKGR-LLVKDONJSA-N 1 0 266.435 2.311 10 0 CEAERO COCC[N@H+](CCSc1ccccc1)CCC(N)=S ZINC000092261112 180354377 /nfs/dbraw/zinc/35/43/77/180354377.db2.gz CEZLODGAEWILPC-UHFFFAOYSA-N 1 0 298.477 2.403 10 0 CEAERO C[C@H](O)[C@@](C)(C[NH3+])C[C@@H]1Cc2ccccc2S1 ZINC000092273658 180356587 /nfs/dbraw/zinc/35/65/87/180356587.db2.gz LFBAASBUIAZEDM-VHRBIJSZSA-N 1 0 251.395 2.439 10 0 CEAERO CCN(CC)C[C@H](C)[NH2+]C[C@@H]1COc2ccccc21 ZINC000092300578 180358478 /nfs/dbraw/zinc/35/84/78/180358478.db2.gz LNMFXYCNZVTKFQ-UONOGXRCSA-N 1 0 262.397 2.483 10 0 CEAERO OC[C@H]([NH2+]C[C@H]1COc2ccccc21)c1ccccc1 ZINC000092300917 180358645 /nfs/dbraw/zinc/35/86/45/180358645.db2.gz RAZYEQAKCCRDDC-HOCLYGCPSA-N 1 0 269.344 2.486 10 0 CEAERO CCCn1c2ccc(C[NH3+])cc2nc1CCCCO ZINC000092171448 180336315 /nfs/dbraw/zinc/33/63/15/180336315.db2.gz WHHHNDHFTCGCHR-UHFFFAOYSA-N 1 0 261.369 2.220 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](c2nc(C3Cc4ccccc4C3)no2)C1 ZINC000092182143 180339040 /nfs/dbraw/zinc/33/90/40/180339040.db2.gz MUABMLTVMCJWNI-OCCSQVGLSA-N 1 0 267.332 2.323 10 0 CEAERO CCOCCN1CC[N@H+](CCC(C)C)C[C@H]1CC ZINC000105838206 186075620 /nfs/dbraw/zinc/07/56/20/186075620.db2.gz IAZGXPNXCFPAHJ-OAHLLOKOSA-N 1 0 256.434 2.465 10 0 CEAERO CCOCC[N@@H+]1CCN(Cc2cccnc2)C[C@@H]1CC ZINC000105838234 186077903 /nfs/dbraw/zinc/07/79/03/186077903.db2.gz MOZBKFAFLPIQKB-INIZCTEOSA-N 1 0 277.412 2.014 10 0 CEAERO CCc1nc2n(n1)C[C@@H]([NH2+]Cc1cccc3[nH]ccc31)CC2 ZINC000105907059 186087680 /nfs/dbraw/zinc/08/76/80/186087680.db2.gz PAUXKGOUCMNGFZ-ZDUSSCGKSA-N 1 0 295.390 2.426 10 0 CEAERO Cc1cnn([C@H]2CCC[N@H+](C[C@H](O)Cc3ccccc3)C2)c1 ZINC000105901121 186088407 /nfs/dbraw/zinc/08/84/07/186088407.db2.gz DTFUSUFCVLSSOU-ZWKOTPCHSA-N 1 0 299.418 2.432 10 0 CEAERO CC[NH2+]CCCc1c(C)nn(-c2ccccn2)c1C ZINC000092320664 180361940 /nfs/dbraw/zinc/36/19/40/180361940.db2.gz HVVNEGQKFXCREV-UHFFFAOYSA-N 1 0 258.369 2.426 10 0 CEAERO CC[NH2+]C[C@H](C)Cc1c(C)nn(-c2ncccn2)c1C ZINC000092321542 180362384 /nfs/dbraw/zinc/36/23/84/180362384.db2.gz JMOJMNVUPUZAPG-LLVKDONJSA-N 1 0 273.384 2.067 10 0 CEAERO CCC[N@@H+]1CCC[C@@H](NCc2c(C)nn(C)c2C)CC1 ZINC000092324907 180362507 /nfs/dbraw/zinc/36/25/07/180362507.db2.gz QVZTUNMDRCOANQ-OAHLLOKOSA-N 1 0 278.444 2.391 10 0 CEAERO c1cn2cc(C[NH2+]C[C@@H]3CCCCO3)nc2s1 ZINC000105971802 186094880 /nfs/dbraw/zinc/09/48/80/186094880.db2.gz UXOBZQOZTSFBPE-NSHDSACASA-N 1 0 251.355 2.055 10 0 CEAERO COCC[N@@H+]1CCN(Cc2ccccc2Cl)C[C@H]1C ZINC000106110294 186102379 /nfs/dbraw/zinc/10/23/79/186102379.db2.gz CXCMSKNGQIKAKA-CYBMUJFWSA-N 1 0 282.815 2.493 10 0 CEAERO Cc1noc(C)c1CNC1=[NH+]C[C@H](C2CC2)S1 ZINC000092341233 180365695 /nfs/dbraw/zinc/36/56/95/180365695.db2.gz ZAJAGKTVAXYMKQ-LLVKDONJSA-N 1 0 251.355 2.262 10 0 CEAERO Cc1cc(NC(=O)[C@H]2[NH2+]CCc3ccccc32)ccn1 ZINC000092349789 180367041 /nfs/dbraw/zinc/36/70/41/180367041.db2.gz PIAMLPHMTKLUNO-HNNXBMFYSA-N 1 0 267.332 2.216 10 0 CEAERO CCNc1cccc(CN2CC[C@H]([NH+]3CCCC3)C2)n1 ZINC000092370609 180369716 /nfs/dbraw/zinc/36/97/16/180369716.db2.gz VQPWIZUQHLMMCY-HNNXBMFYSA-N 1 0 274.412 2.184 10 0 CEAERO CC[NH+](CC)[C@H]1CCN(Cc2cccc(NC)n2)C1 ZINC000092370597 180369782 /nfs/dbraw/zinc/36/97/82/180369782.db2.gz GWTORIFGOTXEKK-AWEZNQCLSA-N 1 0 262.401 2.039 10 0 CEAERO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CC(C)(C)O)C1 ZINC000106385218 186111276 /nfs/dbraw/zinc/11/12/76/186111276.db2.gz GXAZONNPVXFRAK-GFCCVEGCSA-N 1 0 286.416 2.089 10 0 CEAERO CCC[S@@](=O)[C@H]1CCc2ccc(OC)cc2[C@@H]1[NH3+] ZINC000092388858 180374664 /nfs/dbraw/zinc/37/46/64/180374664.db2.gz CQPHAYKNYTYRKI-DEYYWGMASA-N 1 0 267.394 2.169 10 0 CEAERO C[NH2+][C@]1(CC(=O)OC)CCCc2ccc(OC)cc21 ZINC000092390501 180375143 /nfs/dbraw/zinc/37/51/43/180375143.db2.gz GIWBQJQVLBCPDA-HNNXBMFYSA-N 1 0 263.337 2.009 10 0 CEAERO CCc1nn(C)cc1C[NH2+][C@H](CC(C)C)CN(C)C ZINC000092389136 180375432 /nfs/dbraw/zinc/37/54/32/180375432.db2.gz HRXRFCIXYYZXJD-CQSZACIVSA-N 1 0 266.433 2.048 10 0 CEAERO Cc1cccc(Cn2c(CC[NH3+])nc3ccccc32)n1 ZINC000092432525 180384080 /nfs/dbraw/zinc/38/40/80/180384080.db2.gz NVQUMVVXZPBTJV-UHFFFAOYSA-N 1 0 266.348 2.289 10 0 CEAERO CCNc1cc[nH+]c(CN2CCC[C@H]2C(=O)OCC)c1 ZINC000092418328 180380928 /nfs/dbraw/zinc/38/09/28/180380928.db2.gz RSVWMPUDGPDOIN-AWEZNQCLSA-N 1 0 277.368 2.041 10 0 CEAERO CCCN(Cc1cc(Cl)ccn1)[C@H]1CC[NH2+]C1 ZINC000092417217 180381470 /nfs/dbraw/zinc/38/14/70/180381470.db2.gz ZKKYFTSPVRKRGV-ZDUSSCGKSA-N 1 0 253.777 2.309 10 0 CEAERO CCNc1cc[nH+]c(Cn2ncc3ccccc3c2=O)c1 ZINC000092419531 180381971 /nfs/dbraw/zinc/38/19/71/180381971.db2.gz AJKDRAUYECJHTN-UHFFFAOYSA-N 1 0 280.331 2.272 10 0 CEAERO CNc1cc[nH+]c(CSc2nnc(N(C)C)s2)c1 ZINC000092421032 180382728 /nfs/dbraw/zinc/38/27/28/180382728.db2.gz FMQGHUVHKGVAPF-UHFFFAOYSA-N 1 0 281.410 2.333 10 0 CEAERO CN(CC1CC1)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106908748 186150164 /nfs/dbraw/zinc/15/01/64/186150164.db2.gz DMGCCEBDAYJSKB-OAHLLOKOSA-N 1 0 260.381 2.028 10 0 CEAERO COc1ccc(C(C)(C)C)cc1CN(C)CC[NH3+] ZINC000107294833 186168100 /nfs/dbraw/zinc/16/81/00/186168100.db2.gz JHSZENZXHAFDKI-UHFFFAOYSA-N 1 0 250.386 2.383 10 0 CEAERO O=C(c1ccc2[nH]ccc2c1)N1CCN2CCCC[C@H]2C1 ZINC000107574263 186179205 /nfs/dbraw/zinc/17/92/05/186179205.db2.gz VJWHBGUCGCXRFP-HNNXBMFYSA-N 1 0 283.375 2.478 10 0 CEAERO CCN1CCC[C@@H]([NH2+][C@@H](C)Cc2ccc(O)cc2)C1 ZINC000130515415 365964898 /nfs/dbraw/zinc/96/48/98/365964898.db2.gz JZCSGQMTGPOREW-DZGCQCFKSA-N 1 0 262.397 2.397 10 0 CEAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625778789 350567929 /nfs/dbraw/zinc/56/79/29/350567929.db2.gz PJQUHEAVSRISMH-MCIONIFRSA-N 1 0 273.442 2.134 10 0 CEAERO CCC[C@@H]([NH2+]CC(C)(C)NS(C)(=O)=O)c1ccccc1 ZINC000109041624 186241295 /nfs/dbraw/zinc/24/12/95/186241295.db2.gz LPKCMRAYZCWYEE-CQSZACIVSA-N 1 0 298.452 2.445 10 0 CEAERO OC1(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)CCCCC1 ZINC000109122236 186243928 /nfs/dbraw/zinc/24/39/28/186243928.db2.gz QTZXDJLMIQIQPF-KBPBESRZSA-N 1 0 253.386 2.325 10 0 CEAERO O[C@H](C[NH2+]CC1(O)CCCCC1)c1ccc(F)cc1F ZINC000109122105 186244097 /nfs/dbraw/zinc/24/40/97/186244097.db2.gz BCZUAMGCLQILQD-CQSZACIVSA-N 1 0 285.334 2.283 10 0 CEAERO O[C@@H](C[NH2+]CC1(O)CCCCC1)c1ccc(F)cc1F ZINC000109122108 186244215 /nfs/dbraw/zinc/24/42/15/186244215.db2.gz BCZUAMGCLQILQD-AWEZNQCLSA-N 1 0 285.334 2.283 10 0 CEAERO C[C@@H](CO)C[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000109122386 186244572 /nfs/dbraw/zinc/24/45/72/186244572.db2.gz YTMNYOJOLKQTPU-MLGOLLRUSA-N 1 0 259.349 2.091 10 0 CEAERO CC(C)(c1nc(-c2ccncc2)cs1)N1CC[NH2+]CC1 ZINC000109472914 186255431 /nfs/dbraw/zinc/25/54/31/186255431.db2.gz YJCZLFVUQDWXKH-UHFFFAOYSA-N 1 0 288.420 2.345 10 0 CEAERO C[NH2+][C@H](COC)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000109494645 186256699 /nfs/dbraw/zinc/25/66/99/186256699.db2.gz NFPVYZWRMBYZQB-NSHDSACASA-N 1 0 281.743 2.167 10 0 CEAERO CCC[NH2+][C@@H](C)[C@@H](C)c1nc(-c2cnccn2)no1 ZINC000109507260 186257989 /nfs/dbraw/zinc/25/79/89/186257989.db2.gz FZRVUYCZLVNMEG-ZJUUUORDSA-N 1 0 261.329 2.018 10 0 CEAERO CC[C@H](c1nc(COc2ccccc2)no1)[C@@H](C)[NH3+] ZINC000109509275 186258014 /nfs/dbraw/zinc/25/80/14/186258014.db2.gz TUGIBYXFFVMZIM-PWSUYJOCSA-N 1 0 261.325 2.489 10 0 CEAERO COC[C@@H]([NH3+])Cc1nc(C23CC4CC(CC(C4)C2)C3)no1 ZINC000109511271 186258097 /nfs/dbraw/zinc/25/80/97/186258097.db2.gz UFRHYWCYCLRGGU-PCPABOIYSA-N 1 0 291.395 2.054 10 0 CEAERO C[NH2+][C@@H](C)CCc1nc(Cc2ccccc2OC)no1 ZINC000109513426 186258540 /nfs/dbraw/zinc/25/85/40/186258540.db2.gz FCFOJNXLCFVSIA-NSHDSACASA-N 1 0 275.352 2.210 10 0 CEAERO COc1ccc(Cc2noc([C@H]3CCC[C@@H]3[NH3+])n2)cc1 ZINC000109520723 186258734 /nfs/dbraw/zinc/25/87/34/186258734.db2.gz LTYRZJRJRBRXAP-STQMWFEESA-N 1 0 273.336 2.264 10 0 CEAERO CCCOCc1noc([C@H]2CCCCC[C@H]2[NH3+])n1 ZINC000109519638 186258791 /nfs/dbraw/zinc/25/87/91/186258791.db2.gz GOUHGCPNWWTIGG-WDEREUQCSA-N 1 0 253.346 2.371 10 0 CEAERO CC[NH2+][C@@H](C)CCc1nc(CC(F)(F)F)no1 ZINC000109517378 186258878 /nfs/dbraw/zinc/25/88/78/186258878.db2.gz ANKXEMONELRXLK-ZETCQYMHSA-N 1 0 251.252 2.105 10 0 CEAERO C[NH2+]C1CCC(c2nc(CC(F)(F)F)no2)CC1 ZINC000109517389 186259003 /nfs/dbraw/zinc/25/90/03/186259003.db2.gz OPSXYFVSLOZGKA-UHFFFAOYSA-N 1 0 263.263 2.420 10 0 CEAERO CC[NH2+][C@@H]1CCC[C@H]1c1nc(CC(F)(F)F)no1 ZINC000109517262 186259316 /nfs/dbraw/zinc/25/93/16/186259316.db2.gz YQZFZVNQAPTITG-HTQZYQBOSA-N 1 0 263.263 2.420 10 0 CEAERO NNc1cc(C2CC2)nc(CCc2ccccc2)[nH+]1 ZINC000109527477 186260379 /nfs/dbraw/zinc/26/03/79/186260379.db2.gz LSZOYEARAYMPKS-UHFFFAOYSA-N 1 0 254.337 2.425 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1cc(Cl)ccn1 ZINC000236045907 539803386 /nfs/dbraw/zinc/80/33/86/539803386.db2.gz MKTULGMGZFQUAP-VIFPVBQESA-N 1 0 253.733 2.063 10 0 CEAERO COc1ccc(CN2CCC[NH2+]C[C@@H](C)C2)c(OC)c1 ZINC000109555060 186262519 /nfs/dbraw/zinc/26/25/19/186262519.db2.gz CMFLEFUEEGXQAI-CYBMUJFWSA-N 1 0 278.396 2.135 10 0 CEAERO CCC(CC)(C[NH3+])C(=O)NCc1ccc(OC)cc1OC ZINC000109554596 186262686 /nfs/dbraw/zinc/26/26/86/186262686.db2.gz BUVFHOROSKXUTQ-UHFFFAOYSA-N 1 0 294.395 2.085 10 0 CEAERO COc1ccc(CN2C[C@H](C)C[NH2+]C[C@H](C)C2)c(OC)c1 ZINC000109555068 186263200 /nfs/dbraw/zinc/26/32/00/186263200.db2.gz DFGOXAHZKVUVOF-OKILXGFUSA-N 1 0 292.423 2.381 10 0 CEAERO C[NH2+][C@H]1c2ccc(Oc3ccc(C)nc3)cc2NC1=O ZINC000109576653 186263559 /nfs/dbraw/zinc/26/35/59/186263559.db2.gz NRZXINCXIJPFKW-AWEZNQCLSA-N 1 0 269.304 2.395 10 0 CEAERO CC[NH2+][C@@H]1C(=O)Nc2cc(-n3nc(C)cc3C)ccc21 ZINC000109572829 186264459 /nfs/dbraw/zinc/26/44/59/186264459.db2.gz TXHMRXOEAKQJHX-AWEZNQCLSA-N 1 0 270.336 2.092 10 0 CEAERO CC(C)[NH2+][C@@]1(c2nc3c(s2)CCC3)CCOC1 ZINC000109432246 186252395 /nfs/dbraw/zinc/25/23/95/186252395.db2.gz CGIVKJVPOIUKRK-ZDUSSCGKSA-N 1 0 252.383 2.245 10 0 CEAERO NC(=S)C[NH+]1CCN(Cc2cccc3ccccc32)CC1 ZINC000109442617 186252697 /nfs/dbraw/zinc/25/26/97/186252697.db2.gz QKKJJGXUTQXMFR-UHFFFAOYSA-N 1 0 299.443 2.244 10 0 CEAERO CCC[C@H](C(N)=S)[NH+]1CCN(CCC(C)C)CC1 ZINC000109470058 186254016 /nfs/dbraw/zinc/25/40/16/186254016.db2.gz YQQBJLQMYWUXCB-CYBMUJFWSA-N 1 0 271.474 2.105 10 0 CEAERO CCC[C@@H](c1nc(CC)cs1)N1CC[NH2+]CC1 ZINC000109472815 186254614 /nfs/dbraw/zinc/25/46/14/186254614.db2.gz DAMNFZPNHLMUIG-LBPRGKRZSA-N 1 0 253.415 2.452 10 0 CEAERO CC[C@@H](c1nc(C)cc(C2CC2)n1)N1CC[NH2+]CC1 ZINC000109475954 186254674 /nfs/dbraw/zinc/25/46/74/186254674.db2.gz YQRWPMBVIVGZDO-AWEZNQCLSA-N 1 0 260.385 2.019 10 0 CEAERO Cc1ccc(-c2nc([C@H](C)N3CC[NH2+]CC3)no2)cc1 ZINC000109473963 186254733 /nfs/dbraw/zinc/25/47/33/186254733.db2.gz PBSQRHHLTMNTQD-LBPRGKRZSA-N 1 0 272.352 2.011 10 0 CEAERO C[C@@H](c1nc2c(s1)C[C@@H](C)CC2)N1CC[NH2+]CC1 ZINC000109472175 186254878 /nfs/dbraw/zinc/25/48/78/186254878.db2.gz MWTFEEGPXWEDHN-QWRGUYRKSA-N 1 0 265.426 2.234 10 0 CEAERO CCc1ccc(-c2nc([C@H](C)N3CC[NH2+]CC3)no2)s1 ZINC000109474329 186254931 /nfs/dbraw/zinc/25/49/31/186254931.db2.gz FGWUMRBYSCQFJD-JTQLQIEISA-N 1 0 292.408 2.327 10 0 CEAERO Cc1nc(N2CC[C@H]([NH+]3CCCCC3)C2)sc1CO ZINC000110276245 186289315 /nfs/dbraw/zinc/28/93/15/186289315.db2.gz HTWVXXZFMPESTE-LBPRGKRZSA-N 1 0 281.425 2.008 10 0 CEAERO Cc1ccc(CN2CC[C@@H]([NH+]3CCCC3)C2)cc1N ZINC000110370925 186294361 /nfs/dbraw/zinc/29/43/61/186294361.db2.gz LELFXZBVNFUELZ-OAHLLOKOSA-N 1 0 259.397 2.247 10 0 CEAERO Cc1cc(CN2CC[C@H]([NH+]3CCCC3)C2)ccc1N ZINC000110370894 186294613 /nfs/dbraw/zinc/29/46/13/186294613.db2.gz VRUNCRHTXGSLFK-HNNXBMFYSA-N 1 0 259.397 2.247 10 0 CEAERO CCOc1cc(-c2nc(CC)c(C)c(NN)[nH+]2)ccc1O ZINC000110477610 186299556 /nfs/dbraw/zinc/29/95/56/186299556.db2.gz NQNCGJPTGHZBQS-UHFFFAOYSA-N 1 0 288.351 2.404 10 0 CEAERO CCC[C@H]([NH2+]CC)c1ccc2c(c1)C(=O)N(C)C(=O)C2 ZINC000110512654 186299832 /nfs/dbraw/zinc/29/98/32/186299832.db2.gz CIFMSNULHIDUPM-AWEZNQCLSA-N 1 0 274.364 2.292 10 0 CEAERO COc1ccc([C@H](C)[NH3+])cc1CO[C@@H]1CCOC1 ZINC000110526942 186302164 /nfs/dbraw/zinc/30/21/64/186302164.db2.gz FRDASNCTWBDPBV-GXFFZTMASA-N 1 0 251.326 2.020 10 0 CEAERO CC[C@@H]([NH2+]C)c1nnc([C@H]2COc3ccccc3C2)o1 ZINC000110541260 186302565 /nfs/dbraw/zinc/30/25/65/186302565.db2.gz KPUPGQIWEPLHDE-VXGBXAGGSA-N 1 0 273.336 2.459 10 0 CEAERO [NH3+][C@@H](c1noc([C@@H]2COc3ccccc3C2)n1)C1CC1 ZINC000110540925 186302811 /nfs/dbraw/zinc/30/28/11/186302811.db2.gz AWVYEGUOVXRSRX-WCQYABFASA-N 1 0 271.320 2.198 10 0 CEAERO COc1ccc(C)cc1C[C@](C)(O)[C@@H]1CCC[NH2+]C1 ZINC000110552002 186303638 /nfs/dbraw/zinc/30/36/38/186303638.db2.gz VRNNXEBTPJAZEE-ZBFHGGJFSA-N 1 0 263.381 2.297 10 0 CEAERO [NH3+]CC1CCC(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000110617758 186305617 /nfs/dbraw/zinc/30/56/17/186305617.db2.gz YMTGSUOGXMJEOH-SSHXOBKSSA-N 1 0 294.439 2.312 10 0 CEAERO COCC[N@H+](C)CCNc1cc(OC(C)C)c(F)cc1N ZINC000110641192 186307600 /nfs/dbraw/zinc/30/76/00/186307600.db2.gz WNLVWKYCMYFLCT-UHFFFAOYSA-N 1 0 299.390 2.185 10 0 CEAERO COC(=O)[C@](C)(CC[N@@H+]1CCC[C@@H](C)CC1)NC(C)C ZINC000110809639 186326122 /nfs/dbraw/zinc/32/61/22/186326122.db2.gz AZKILQZASJROGA-ZBFHGGJFSA-N 1 0 284.444 2.428 10 0 CEAERO CC(C)(C)[NH2+]CC(=O)N[C@H]1CCCc2occc21 ZINC000110838996 186328094 /nfs/dbraw/zinc/32/80/94/186328094.db2.gz FXECBLYSLSFFRJ-NSHDSACASA-N 1 0 250.342 2.161 10 0 CEAERO CCCN[C@](C)(C[N@H+](C)CC1CCCC1)C(=O)OCC ZINC000110840490 186328366 /nfs/dbraw/zinc/32/83/66/186328366.db2.gz FGMGUTHQCJTVPL-MRXNPFEDSA-N 1 0 284.444 2.430 10 0 CEAERO CCN[C@@](C)(C[N@H+](C)CC1CCCC1)C(=O)OCC ZINC000110840928 186328848 /nfs/dbraw/zinc/32/88/48/186328848.db2.gz LSJFMEOOYTWJCG-HNNXBMFYSA-N 1 0 270.417 2.040 10 0 CEAERO CCC[NH2+][C@H](C)Cc1nc(-c2cccc(C)n2)no1 ZINC000110918435 186332794 /nfs/dbraw/zinc/33/27/94/186332794.db2.gz SCMXZUBCXPRRMS-LLVKDONJSA-N 1 0 260.341 2.371 10 0 CEAERO Cc1ccc(-c2nnc(CN(C)[C@@H]3CCC[NH2+]C3)o2)cc1 ZINC000110928839 186333124 /nfs/dbraw/zinc/33/31/24/186333124.db2.gz HQROELYHIUJEEX-CQSZACIVSA-N 1 0 286.379 2.229 10 0 CEAERO CCC(CC)(CO)[NH2+]Cc1[nH]nnc1-c1ccccc1 ZINC000110925422 186333215 /nfs/dbraw/zinc/33/32/15/186333215.db2.gz OREDAHYQZCULMO-UHFFFAOYSA-N 1 0 274.368 2.112 10 0 CEAERO CN1CCCC[C@@H]1C[NH2+]Cc1[nH]nnc1-c1ccccc1 ZINC000110925254 186333424 /nfs/dbraw/zinc/33/34/24/186333424.db2.gz IWFKQQDJWAUETF-CQSZACIVSA-N 1 0 285.395 2.046 10 0 CEAERO C[C@@H](CCc1ccc2c(c1)OCO2)N(C)[C@@H]1CCC[NH2+]C1 ZINC000110925830 186334032 /nfs/dbraw/zinc/33/40/32/186334032.db2.gz VFTGVLXLGJHSKM-DZGCQCFKSA-N 1 0 290.407 2.420 10 0 CEAERO CCN(Cc1ccc(OC)cc1OC)[C@@H]1CCC[NH2+]C1 ZINC000110935897 186334223 /nfs/dbraw/zinc/33/42/23/186334223.db2.gz RBNTVWWJSSAYBL-CQSZACIVSA-N 1 0 278.396 2.278 10 0 CEAERO CCCN(Cc1ccc2c(c1)OCCO2)[C@H]1CCC[NH2+]C1 ZINC000110938396 186334296 /nfs/dbraw/zinc/33/42/96/186334296.db2.gz XQVJNQFAGMGNGI-HNNXBMFYSA-N 1 0 290.407 2.422 10 0 CEAERO CCN(C(=O)CSc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000110939581 186334538 /nfs/dbraw/zinc/33/45/38/186334538.db2.gz ZZZNXLJBUAUNAS-CYBMUJFWSA-N 1 0 278.421 2.379 10 0 CEAERO CCCN(C(=O)c1cc(Cl)cn1C)[C@H]1CCC[NH2+]C1 ZINC000110940759 186334590 /nfs/dbraw/zinc/33/45/90/186334590.db2.gz DDEFMZKERNNBDL-LBPRGKRZSA-N 1 0 283.803 2.283 10 0 CEAERO CCCN(C(=O)[C@H]1CC=CCC1)[C@H]1CCC[NH2+]C1 ZINC000110940232 186334992 /nfs/dbraw/zinc/33/49/92/186334992.db2.gz BKZFJLBWMQNYAB-KBPBESRZSA-N 1 0 250.386 2.333 10 0 CEAERO CCN(C(=O)c1cc2ccccc2[nH]1)[C@@H]1CCC[NH2+]C1 ZINC000110939803 186335044 /nfs/dbraw/zinc/33/50/44/186335044.db2.gz ZQXQVRFSOVZBMY-CYBMUJFWSA-N 1 0 271.364 2.382 10 0 CEAERO CC[C@H]([NH3+])[C@@H](SCCS(C)(=O)=O)c1ccc(C)o1 ZINC000111004473 186341394 /nfs/dbraw/zinc/34/13/94/186341394.db2.gz BOFKVJZXRVPAMT-CMPLNLGQSA-N 1 0 291.438 2.144 10 0 CEAERO Cc1ccnc(-n2c(CC[NH3+])nc3ccccc32)c1 ZINC000110949111 186335390 /nfs/dbraw/zinc/33/53/90/186335390.db2.gz QUBJWVYSKLIAEN-UHFFFAOYSA-N 1 0 252.321 2.230 10 0 CEAERO CCN(CCOc1ccc(C)cc1)[C@H]1CCC[NH2+]C1 ZINC000110944925 186335513 /nfs/dbraw/zinc/33/55/13/186335513.db2.gz OYROVHQPLJGYJG-HNNXBMFYSA-N 1 0 262.397 2.448 10 0 CEAERO CCN(c1cccc(Cl)c1C(N)=O)[C@H]1CCC[NH2+]C1 ZINC000110947414 186335774 /nfs/dbraw/zinc/33/57/74/186335774.db2.gz ZOQSPSGUKPJPKE-JTQLQIEISA-N 1 0 281.787 2.017 10 0 CEAERO CCCN(Cc1cccc(C(=O)OC)c1)[C@H]1CCC[NH2+]C1 ZINC000110945765 186335978 /nfs/dbraw/zinc/33/59/78/186335978.db2.gz VVVNDRQBSGCUEN-INIZCTEOSA-N 1 0 290.407 2.437 10 0 CEAERO CCN(CC)C(=O)[C@@H](C[NH3+])Cc1ccc(C)c(F)c1 ZINC000110974662 186337212 /nfs/dbraw/zinc/33/72/12/186337212.db2.gz RZZOMVMVHLMUJQ-CYBMUJFWSA-N 1 0 266.360 2.120 10 0 CEAERO CCC[NH2+][C@H](C)c1ccc(C)cc1OCC(=O)NC ZINC000110961754 186337935 /nfs/dbraw/zinc/33/79/35/186337935.db2.gz KXQIEQFOKIFAEQ-GFCCVEGCSA-N 1 0 264.369 2.180 10 0 CEAERO [NH3+]Cc1ccc(F)c(COc2ccccc2CO)c1 ZINC000110993354 186340628 /nfs/dbraw/zinc/34/06/28/186340628.db2.gz YTULPMDOPBTDOS-UHFFFAOYSA-N 1 0 261.296 2.356 10 0 CEAERO CC[C@@H]1CN(Cc2ccc(N)c3cccnc23)CC[N@@H+]1C ZINC000110703584 186314785 /nfs/dbraw/zinc/31/47/85/186314785.db2.gz AVTQCERTNFZYJO-CQSZACIVSA-N 1 0 284.407 2.343 10 0 CEAERO CC[NH+](CC)C[C@H](C)Nc1ccc(N)c(OC)c1 ZINC000111054921 186349182 /nfs/dbraw/zinc/34/91/82/186349182.db2.gz JLAYUAWXAXUKIP-NSHDSACASA-N 1 0 251.374 2.420 10 0 CEAERO Nc1cccc(Cl)c1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000111012841 186343547 /nfs/dbraw/zinc/34/35/47/186343547.db2.gz AWLHSROZHUKIAK-LLVKDONJSA-N 1 0 293.798 2.233 10 0 CEAERO CC(C)[C@H]([NH2+][C@H]1CCC(=O)NC1)c1cccs1 ZINC000111018743 186345249 /nfs/dbraw/zinc/34/52/49/186345249.db2.gz CAPSGCJBRLSWKM-GWCFXTLKSA-N 1 0 252.383 2.313 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccco1)N(C)C[C@@H]1CCCOC1 ZINC000111154443 186361233 /nfs/dbraw/zinc/36/12/33/186361233.db2.gz XTZUFTNOBKTMCP-KCQAQPDRSA-N 1 0 266.385 2.416 10 0 CEAERO C[C@@H](c1ccccc1)[C@H](CN)[N@H+](C)CC1CCOCC1 ZINC000111159891 186361707 /nfs/dbraw/zinc/36/17/07/186361707.db2.gz QEHYBDOWQHUADK-YOEHRIQHSA-N 1 0 276.424 2.476 10 0 CEAERO NC(=O)c1ccc(F)c(C[NH2+]C[C@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000111086816 186351521 /nfs/dbraw/zinc/35/15/21/186351521.db2.gz BNFCFLVTSUHMEY-DMDPSCGWSA-N 1 0 276.355 2.450 10 0 CEAERO [NH3+]CC1(C(=O)NC[C@@H]2C[C@H]3CC[C@@H]2C3)CCCCC1 ZINC000111084452 186352083 /nfs/dbraw/zinc/35/20/83/186352083.db2.gz PHWIGJBJASYDKJ-MJBXVCDLSA-N 1 0 264.413 2.448 10 0 CEAERO CCOCCN(CC)[C@@H](c1cccc(OC)c1)[C@@H](C)[NH3+] ZINC000111116747 186353253 /nfs/dbraw/zinc/35/32/53/186353253.db2.gz DDFJFTSYPPZTNG-CZUORRHYSA-N 1 0 280.412 2.442 10 0 CEAERO CCOCC[N@H+](CC)CCCOc1cccc(N)c1 ZINC000111116701 186354162 /nfs/dbraw/zinc/35/41/62/186354162.db2.gz WRZNMHQLZJXWJT-UHFFFAOYSA-N 1 0 266.385 2.396 10 0 CEAERO CCOCC[N@H+](CC)CCOc1ccc(C(N)=S)cc1 ZINC000111119373 186354819 /nfs/dbraw/zinc/35/48/19/186354819.db2.gz FNOLJCAMTIMEKP-UHFFFAOYSA-N 1 0 296.436 2.058 10 0 CEAERO C[C@H](O)c1cc(F)ccc1N(C)CCC[NH+](C)C ZINC000111139430 186356903 /nfs/dbraw/zinc/35/69/03/186356903.db2.gz GWWUSFLQCTYKER-NSHDSACASA-N 1 0 254.349 2.267 10 0 CEAERO C[C@H](C(=O)c1ccc(F)cc1F)N(C)CC[NH+](C)C ZINC000111139645 186357774 /nfs/dbraw/zinc/35/77/74/186357774.db2.gz JDVJKUCJQYJHCD-SNVBAGLBSA-N 1 0 270.323 2.029 10 0 CEAERO Cc1c(Cl)nnc(N(C)CCC[NH+](C)C)c1C ZINC000111144781 186358198 /nfs/dbraw/zinc/35/81/98/186358198.db2.gz GGZLPCMPHKAJIF-UHFFFAOYSA-N 1 0 256.781 2.135 10 0 CEAERO CC[C@H]1CCC(=O)[C@@H](C[N@H+](C)CCCN(C)C)C1 ZINC000111146572 186358643 /nfs/dbraw/zinc/35/86/43/186358643.db2.gz VUCKBUPKDDXVLT-UONOGXRCSA-N 1 0 254.418 2.265 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccncc1)N(C)C[C@@H]1CCCOC1 ZINC000111154587 186360038 /nfs/dbraw/zinc/36/00/38/186360038.db2.gz DMTYUFRHPUSYLM-BPUTZDHNSA-N 1 0 277.412 2.218 10 0 CEAERO Cc1ccc([C@H]([C@H](C)[NH3+])N(C)C[C@@H]2CCCOC2)o1 ZINC000111154786 186360220 /nfs/dbraw/zinc/36/02/20/186360220.db2.gz PSLPJXQZLMPQHU-YDHLFZDLSA-N 1 0 266.385 2.335 10 0 CEAERO C[N@@H+](Cc1cc(C(N)=S)ccc1F)CC1CCOCC1 ZINC000111163248 186363773 /nfs/dbraw/zinc/36/37/73/186363773.db2.gz JNMXZAFGYBAWAJ-UHFFFAOYSA-N 1 0 296.411 2.318 10 0 CEAERO COc1ccc(C)cc1[C@@H](N)C[N@H+](C)CC1CCOCC1 ZINC000111161470 186363857 /nfs/dbraw/zinc/36/38/57/186363857.db2.gz ORZXNSMEBUTCDR-INIZCTEOSA-N 1 0 292.423 2.362 10 0 CEAERO CCOc1ccccc1[C@H](N)C[N@H+](C)CC1CCOCC1 ZINC000111162082 186364287 /nfs/dbraw/zinc/36/42/87/186364287.db2.gz FZXKRAIHYSQMMQ-MRXNPFEDSA-N 1 0 292.423 2.444 10 0 CEAERO C[NH2+][C@H]1c2ccccc2C[C@H]1N(C)CC1CCOCC1 ZINC000111162123 186364448 /nfs/dbraw/zinc/36/44/48/186364448.db2.gz SLSZWFJUMPXYEI-SJORKVTESA-N 1 0 274.408 2.230 10 0 CEAERO CC[NH2+]C[C@@]1(CN(CC(F)(F)F)C2CC2)CCCOC1 ZINC000111326232 186399003 /nfs/dbraw/zinc/39/90/03/186399003.db2.gz SNZYNEYPVSKSCY-CYBMUJFWSA-N 1 0 294.361 2.419 10 0 CEAERO CO[C@H]1CCC[C@H]1[NH2+]Cc1nc2ccccc2n1C ZINC000111233995 186373348 /nfs/dbraw/zinc/37/33/48/186373348.db2.gz OSYHLJQRYQGCSD-OCCSQVGLSA-N 1 0 259.353 2.230 10 0 CEAERO CC(C)[C@@H](C[NH+](C)C)NCc1nc2ccccc2n1C ZINC000111233938 186373936 /nfs/dbraw/zinc/37/39/36/186373936.db2.gz CJKBHRDGFHWINJ-CQSZACIVSA-N 1 0 274.412 2.249 10 0 CEAERO C[C@H](C[NH+]1CCCC1)NCc1nc2ccccc2n1C ZINC000111233936 186373946 /nfs/dbraw/zinc/37/39/46/186373946.db2.gz IEEXUPNLFKZRRG-CYBMUJFWSA-N 1 0 272.396 2.147 10 0 CEAERO CCOc1ccc(OCC)c(NC(=O)[C@H]2C[NH2+]C[C@@H]2C)c1 ZINC000111262985 186380719 /nfs/dbraw/zinc/38/07/19/186380719.db2.gz XHKJVUNSPYVUMV-AAEUAGOBSA-N 1 0 292.379 2.278 10 0 CEAERO CC(C)[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1 ZINC000111265236 186381962 /nfs/dbraw/zinc/38/19/62/186381962.db2.gz LASLDEFKCIDWHA-BPLDGKMQSA-N 1 0 260.381 2.355 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(Cc1ccccc1F)C1CC1 ZINC000111268238 186382736 /nfs/dbraw/zinc/38/27/36/186382736.db2.gz FLXSRRAWRSWOHJ-BXUZGUMPSA-N 1 0 276.355 2.172 10 0 CEAERO Cc1ccc(NC(=O)[C@H]2C[NH2+]C[C@H]2C)c2cccnc12 ZINC000111266933 186382872 /nfs/dbraw/zinc/38/28/72/186382872.db2.gz RPLUZVYTBOATDN-YPMHNXCESA-N 1 0 269.348 2.337 10 0 CEAERO CCc1nc2cc(NC(=O)[C@H]3C[NH2+]C[C@H]3C)ccc2o1 ZINC000111267799 186382985 /nfs/dbraw/zinc/38/29/85/186382985.db2.gz QPKBHHGMYFAXTM-KOLCDFICSA-N 1 0 273.336 2.184 10 0 CEAERO CSc1ccc(CN(C)C(=O)[C@H]2C[NH2+]C[C@H]2C)cc1 ZINC000111267970 186383000 /nfs/dbraw/zinc/38/30/00/186383000.db2.gz MGOQOINCLWZIBN-RISCZKNCSA-N 1 0 278.421 2.222 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000111267685 186383158 /nfs/dbraw/zinc/38/31/58/186383158.db2.gz RVUNHTRABHFZPE-YPMHNXCESA-N 1 0 291.370 2.220 10 0 CEAERO C[C@@H](c1cc(F)ccc1F)N(C)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000111268764 186383772 /nfs/dbraw/zinc/38/37/72/186383772.db2.gz IJAYWQFXXSQYHJ-GBIKHYSHSA-N 1 0 282.334 2.340 10 0 CEAERO C[C@H](NC(=O)[C@H]1C[NH2+]C[C@H]1C)c1cccc(Cl)c1 ZINC000111270140 186383843 /nfs/dbraw/zinc/38/38/43/186383843.db2.gz FAFIEZGFTFFIBL-NRUUGDAUSA-N 1 0 266.772 2.373 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1cccc2ccccc21 ZINC000111272393 186385156 /nfs/dbraw/zinc/38/51/56/186385156.db2.gz JAUZNMQUGJQZKQ-MLGOLLRUSA-N 1 0 268.360 2.312 10 0 CEAERO CCN(C(=O)c1ccc2cc[nH]c2c1)[C@@H]1CCC[NH2+]C1 ZINC000111289289 186391257 /nfs/dbraw/zinc/39/12/57/186391257.db2.gz VEBNXYYGUIAJCD-CQSZACIVSA-N 1 0 271.364 2.382 10 0 CEAERO Cc1ccc(O[C@@H](C)C(=O)N2CCCC[C@H]2C[NH3+])cc1 ZINC000131022928 366013815 /nfs/dbraw/zinc/01/38/15/366013815.db2.gz UMAUSOLRXVRMTE-KBPBESRZSA-N 1 0 276.380 2.102 10 0 CEAERO Cc1nn(C)c(N(C)Cc2cccc(F)c2)c1CC[NH3+] ZINC000111478842 186421943 /nfs/dbraw/zinc/42/19/43/186421943.db2.gz KSMFUNGEHZBJFL-UHFFFAOYSA-N 1 0 276.359 2.005 10 0 CEAERO CC[C@H]([NH3+])Cc1ccc(N(CCCOC)CCOC)cc1 ZINC000111505974 186424457 /nfs/dbraw/zinc/42/44/57/186424457.db2.gz MHMPUPAKLSNMNY-INIZCTEOSA-N 1 0 294.439 2.456 10 0 CEAERO CC[C@H]([NH3+])Cc1cc(F)c(N2CCCOCC2)c(F)c1 ZINC000111500749 186424962 /nfs/dbraw/zinc/42/49/62/186424962.db2.gz DNAJYIDJTSENCN-LBPRGKRZSA-N 1 0 284.350 2.471 10 0 CEAERO C[NH2+]Cc1ccc(Sc2n[nH]c(=O)n2C(C)C)cc1C ZINC000111566096 186428299 /nfs/dbraw/zinc/42/82/99/186428299.db2.gz DKBQQLFTSDMSBW-UHFFFAOYSA-N 1 0 292.408 2.331 10 0 CEAERO CC[C@@H]([NH3+])Cc1c(SCCOC)nc2sccn12 ZINC000111584269 186429970 /nfs/dbraw/zinc/42/99/70/186429970.db2.gz PDMTVMFWZFCYJJ-SECBINFHSA-N 1 0 285.438 2.414 10 0 CEAERO CC[C@@H]([NH3+])Cc1c(C)nn(C)c1Sc1nccc(C)n1 ZINC000111585210 186430098 /nfs/dbraw/zinc/43/00/98/186430098.db2.gz YVTMCBGLLVWCIC-LLVKDONJSA-N 1 0 291.424 2.258 10 0 CEAERO CCCc1nc(CN2CCCC[C@@H]2C[NH2+]C(C)C)no1 ZINC000111702547 186448173 /nfs/dbraw/zinc/44/81/73/186448173.db2.gz SNQMNDYPVOJWPM-CYBMUJFWSA-N 1 0 280.416 2.375 10 0 CEAERO C[C@H]1CCC[C@](C[NH3+])(NC(=O)c2ccc3c(c2)CCO3)C1 ZINC000111369569 186407322 /nfs/dbraw/zinc/40/73/22/186407322.db2.gz QUZJDKANPWUEHS-SJCJKPOMSA-N 1 0 288.391 2.259 10 0 CEAERO C[C@H]1CCC[C@](C[NH3+])(NC(=O)Cc2ccccc2F)C1 ZINC000111370165 186408098 /nfs/dbraw/zinc/40/80/98/186408098.db2.gz BTMCOMAKIDEHIN-LRDDRELGSA-N 1 0 278.371 2.392 10 0 CEAERO CCC(CC)N(CC[NH3+])S(=O)(=O)C1CCCCC1 ZINC000111373518 186408961 /nfs/dbraw/zinc/40/89/61/186408961.db2.gz KXHPTWFJDFGNCY-UHFFFAOYSA-N 1 0 276.446 2.098 10 0 CEAERO CC(C)[C@]1(C)CC(=O)N(C2(C[NH3+])CCCCC2)C1=O ZINC000111382432 186411405 /nfs/dbraw/zinc/41/14/05/186411405.db2.gz PTSLVWRYWMEESF-AWEZNQCLSA-N 1 0 266.385 2.069 10 0 CEAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000628467533 351108281 /nfs/dbraw/zinc/10/82/81/351108281.db2.gz XUMMCKWXZTZNMT-NWDGAFQWSA-N 1 0 293.260 2.084 10 0 CEAERO [NH3+][C@H]1CCCN(C(=O)CSc2ccc3c(c2)CCC3)C1 ZINC000336514767 213391378 /nfs/dbraw/zinc/39/13/78/213391378.db2.gz UMARZBWFNWBGBS-AWEZNQCLSA-N 1 0 290.432 2.217 10 0 CEAERO CN1C(=O)C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C2CCCCC2)C1=O ZINC000116073659 186693615 /nfs/dbraw/zinc/69/36/15/186693615.db2.gz FPBCHTOOEOIQGF-KFWWJZLASA-N 1 0 292.423 2.472 10 0 CEAERO O[C@@H](C[NH2+]CC[C@@H]1CC=CCC1)COCc1ccco1 ZINC000629597396 351427546 /nfs/dbraw/zinc/42/75/46/351427546.db2.gz JPNSVFVBQHZVDZ-CABCVRRESA-N 1 0 279.380 2.493 10 0 CEAERO CCCCOC[C@@H](O)C[NH2+]C[C@@H]1CCCC12CC2 ZINC000629618055 351432787 /nfs/dbraw/zinc/43/27/87/351432787.db2.gz IEBXZLWQYIKMLQ-KBPBESRZSA-N 1 0 255.402 2.334 10 0 CEAERO Cc1nc(CNC(=O)C(C)(C)[C@@H]2CCC[NH2+]C2)cs1 ZINC000120069314 186873274 /nfs/dbraw/zinc/87/32/74/186873274.db2.gz PXTLMRHXLNMYPP-LLVKDONJSA-N 1 0 281.425 2.094 10 0 CEAERO CCC[C@@H]1C[N@H+](C[C@](C)(O)c2ccccc2)CCO1 ZINC000131405175 366050470 /nfs/dbraw/zinc/05/04/70/366050470.db2.gz TXXSZCMJJNMLTG-CVEARBPZSA-N 1 0 263.381 2.395 10 0 CEAERO OC[C@H]1CSCC[N@@H+]1Cc1ccc2ccccc2n1 ZINC000336499211 213373710 /nfs/dbraw/zinc/37/37/10/213373710.db2.gz HIOHXAYZDYCRAD-AWEZNQCLSA-N 1 0 274.389 2.145 10 0 CEAERO Cc1cccc(-c2cc(N3CCC[NH2+]CC3)n[nH]2)c1 ZINC000070460011 363086976 /nfs/dbraw/zinc/08/69/76/363086976.db2.gz KGEDVLHWZWBKAF-UHFFFAOYSA-N 1 0 256.353 2.185 10 0 CEAERO Cc1nc(-c2ccc(F)cc2)nc(N2CC[C@@H]([NH3+])C2)c1C ZINC000070455950 363085012 /nfs/dbraw/zinc/08/50/12/363085012.db2.gz NPWYHUXTLULRPY-CQSZACIVSA-N 1 0 286.354 2.437 10 0 CEAERO CO[C@H]1CN(Cc2cccc(Cl)c2)[C@](C)(C[NH3+])C1 ZINC000630355820 351710064 /nfs/dbraw/zinc/71/00/64/351710064.db2.gz LITFMDMRDCODIM-KGLIPLIRSA-N 1 0 268.788 2.278 10 0 CEAERO CO[C@@H]1CN(Cc2cc(C)ccc2C)[C@@](C)(C[NH3+])C1 ZINC000630358534 351710744 /nfs/dbraw/zinc/71/07/44/351710744.db2.gz BMYGDTDQNBNWER-JKSUJKDBSA-N 1 0 262.397 2.242 10 0 CEAERO COc1ccc(Cl)cc1CN1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630364208 351712943 /nfs/dbraw/zinc/71/29/43/351712943.db2.gz QZKQAASCZRKFCI-UKRRQHHQSA-N 1 0 298.814 2.287 10 0 CEAERO CO[C@@H]1CN(C(=O)c2ccc(C)c(Cl)c2)[C@@](C)(C[NH3+])C1 ZINC000630366461 351714544 /nfs/dbraw/zinc/71/45/44/351714544.db2.gz KSAXKKICEATILI-SWLSCSKDSA-N 1 0 296.798 2.227 10 0 CEAERO CO[C@H]1CN(C(=O)c2cc(Cl)ccc2C)[C@](C)(C[NH3+])C1 ZINC000630376287 351716120 /nfs/dbraw/zinc/71/61/20/351716120.db2.gz VTUNEEHVGSVDAO-DOMZBBRYSA-N 1 0 296.798 2.227 10 0 CEAERO Cc1cc(Br)cnc1N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000630572742 351788692 /nfs/dbraw/zinc/78/86/92/351788692.db2.gz RYPCHWSLVICHLP-NXEZZACHSA-N 1 0 284.201 2.184 10 0 CEAERO CCO[C@@H]1C[C@H]([N@H+](C)CCCCO)C12CCCC2 ZINC000121184665 186955881 /nfs/dbraw/zinc/95/58/81/186955881.db2.gz GVRZMBXUDIGATN-UONOGXRCSA-N 1 0 255.402 2.429 10 0 CEAERO [NH3+]C[C@@H]1CN(c2ncccc2F)CC[C@@H]1C(F)(F)F ZINC000630527378 351773293 /nfs/dbraw/zinc/77/32/93/351773293.db2.gz JAAJJTZCCFTFGI-BDAKNGLRSA-N 1 0 277.265 2.184 10 0 CEAERO C[C@H]1CC[C@H](C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)O1 ZINC000131718072 366080709 /nfs/dbraw/zinc/08/07/09/366080709.db2.gz LKHLOVBQMUOVLG-XUWVNRHRSA-N 1 0 296.455 2.428 10 0 CEAERO CCC[C@H](C(=O)N(CC)CCc1nccs1)[NH+](C)C ZINC000122232263 187021837 /nfs/dbraw/zinc/02/18/37/187021837.db2.gz SMYMJUTXWNVKKC-GFCCVEGCSA-N 1 0 283.441 2.264 10 0 CEAERO CC[C@](C)(O)C[N@H+](C)CCOc1ccc(OC)cc1 ZINC000123045387 187067996 /nfs/dbraw/zinc/06/79/96/187067996.db2.gz ZXDNOFRULKBZRK-HNNXBMFYSA-N 1 0 267.369 2.167 10 0 CEAERO Cc1ccc(CC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cn1 ZINC000122723722 187047895 /nfs/dbraw/zinc/04/78/95/187047895.db2.gz KKZJSPVSWMNYGG-KRWDZBQOSA-N 1 0 297.402 2.352 10 0 CEAERO C[C@@H](C[NH2+][C@@H](C)c1cccc(F)c1)N1CCOCC1 ZINC000123483554 187094574 /nfs/dbraw/zinc/09/45/74/187094574.db2.gz FIHMRCASGJCVLZ-STQMWFEESA-N 1 0 266.360 2.197 10 0 CEAERO C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1cccc(F)c1 ZINC000123484107 187094819 /nfs/dbraw/zinc/09/48/19/187094819.db2.gz FIHMRCASGJCVLZ-QWHCGFSZSA-N 1 0 266.360 2.197 10 0 CEAERO [NH3+][C@H]1CCC[C@H](C(=O)Nc2cccc(-n3cccn3)c2)C1 ZINC000070574470 363097416 /nfs/dbraw/zinc/09/74/16/363097416.db2.gz KYWPYDNZZAMCEI-STQMWFEESA-N 1 0 284.363 2.328 10 0 CEAERO Cc1ccccc1[C@H](C)[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC000148515496 539828316 /nfs/dbraw/zinc/82/83/16/539828316.db2.gz GBWAEDJCFXYUAH-ARFHVFGLSA-N 1 0 293.407 2.202 10 0 CEAERO CCC[C@H](C(=O)N[C@H](C)c1ncc(C)s1)[NH+](C)C ZINC000133704123 187702904 /nfs/dbraw/zinc/70/29/04/187702904.db2.gz FLVXELQJNHSMHG-GHMZBOCLSA-N 1 0 269.414 2.359 10 0 CEAERO CCN1CCO[C@H](C[NH2+]C[C@@H]2CCCC[C@H]2C)C1 ZINC000252644360 539884561 /nfs/dbraw/zinc/88/45/61/539884561.db2.gz OMQMWLNEVOWRAV-QLFBSQMISA-N 1 0 254.418 2.123 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000252738786 539896892 /nfs/dbraw/zinc/89/68/92/539896892.db2.gz GARHFAFZRISTSA-OWCLPIDISA-N 1 0 266.429 2.266 10 0 CEAERO C(c1nc2c(s1)CCC2)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000678820781 539919634 /nfs/dbraw/zinc/91/96/34/539919634.db2.gz SGCBNYZMYUYUAV-GFCCVEGCSA-N 1 0 277.437 2.302 10 0 CEAERO CNc1ccc(C)cc1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000053003399 522603372 /nfs/dbraw/zinc/60/33/72/522603372.db2.gz QCFRCFNINPILSG-ZDUSSCGKSA-N 1 0 275.396 2.108 10 0 CEAERO C[C@H](Cc1cccs1)NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000251235949 539972914 /nfs/dbraw/zinc/97/29/14/539972914.db2.gz CIXXWWHKANFZND-NTZNESFSSA-N 1 0 266.410 2.170 10 0 CEAERO C[N@H+](CCOCc1ccccc1)C[C@H](O)COC(C)(C)C ZINC000154429799 188141013 /nfs/dbraw/zinc/14/10/13/188141013.db2.gz TUVYLKLTFCAZBD-INIZCTEOSA-N 1 0 295.423 2.311 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Cc2cccs2)C1 ZINC000155347678 188200047 /nfs/dbraw/zinc/20/00/47/188200047.db2.gz LTVTZRAJFPTJAO-YPMHNXCESA-N 1 0 266.410 2.136 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000155412585 188205116 /nfs/dbraw/zinc/20/51/16/188205116.db2.gz OLEAQRTUQUIELQ-WFASDCNBSA-N 1 0 278.371 2.213 10 0 CEAERO CCC[C@@H](C(=O)Nc1cc(F)ccc1O)[NH+](C)C ZINC000132135305 366121496 /nfs/dbraw/zinc/12/14/96/366121496.db2.gz ZDFIZRWVQOLNKQ-NSHDSACASA-N 1 0 254.305 2.200 10 0 CEAERO CCCN(C)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000124384932 283044321 /nfs/dbraw/zinc/04/43/21/283044321.db2.gz LDMATJGCDTVPDS-CYBMUJFWSA-N 1 0 255.406 2.158 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)c2cccc(C(F)F)c2)C1 ZINC000171508532 188740104 /nfs/dbraw/zinc/74/01/04/188740104.db2.gz XWDPVWCHFQUXQC-LBPRGKRZSA-N 1 0 268.307 2.400 10 0 CEAERO CC(C)(C)OC(=O)N1CC(C2CCC2)=C[C@@H]([NH3+])C1 ZINC000675077934 540118927 /nfs/dbraw/zinc/11/89/27/540118927.db2.gz KERRCMOIUCEQSJ-GFCCVEGCSA-N 1 0 252.358 2.291 10 0 CEAERO CCCNC(=O)N1[C@@H](CC[NH3+])CCC[C@H]1C(F)(F)F ZINC000675072282 540113688 /nfs/dbraw/zinc/11/36/88/540113688.db2.gz AXUYNNIOROHIOZ-ZJUUUORDSA-N 1 0 281.322 2.240 10 0 CEAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000271805161 191338792 /nfs/dbraw/zinc/33/87/92/191338792.db2.gz YDLPRPJVKXGGTA-QKCSRTOESA-N 1 0 282.409 2.173 10 0 CEAERO Brc1csc([C@H]2[NH2+]CCc3nc[nH]c32)c1 ZINC000084198633 540126255 /nfs/dbraw/zinc/12/62/55/540126255.db2.gz PFZRNAHDAVTKTL-SNVBAGLBSA-N 1 0 284.182 2.469 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC000381755871 540143492 /nfs/dbraw/zinc/14/34/92/540143492.db2.gz VNLXORJQOGKVKJ-VIFPVBQESA-N 1 0 259.353 2.122 10 0 CEAERO Cc1cnc([C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C2CC2)s1 ZINC000261702173 540150397 /nfs/dbraw/zinc/15/03/97/540150397.db2.gz ILZSIXBJMXPEON-JHJVBQTASA-N 1 0 293.436 2.394 10 0 CEAERO C[C@@H](COCc1ccccc1)NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261758969 540151177 /nfs/dbraw/zinc/15/11/77/540151177.db2.gz NGQBYNVFYAECER-CWRNSKLLSA-N 1 0 290.407 2.225 10 0 CEAERO CC(C)[C@@H]([NH2+]Cc1cccc2ccccc21)C(N)=O ZINC000223766198 540161301 /nfs/dbraw/zinc/16/13/01/540161301.db2.gz VEIHVCPIBGLUHX-OAHLLOKOSA-N 1 0 256.349 2.439 10 0 CEAERO CCC[C@H](C(=O)NC[C@H]1Cc2ccccc21)[NH+](C)C ZINC000154628048 540187965 /nfs/dbraw/zinc/18/79/65/540187965.db2.gz PHJHSHNDRDLPLS-UKRRQHHQSA-N 1 0 260.381 2.173 10 0 CEAERO CCC[C@@H](C(=O)NC[C@@H]1Cc2ccccc21)[NH+](C)C ZINC000154627727 540187983 /nfs/dbraw/zinc/18/79/83/540187983.db2.gz PHJHSHNDRDLPLS-ZFWWWQNUSA-N 1 0 260.381 2.173 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)c1ccc(OC)cc1 ZINC000163542316 540216956 /nfs/dbraw/zinc/21/69/56/540216956.db2.gz TXYVCMBVOIFADK-GXFFZTMASA-N 1 0 250.342 2.031 10 0 CEAERO CCCN(CC)CC[NH2+][C@H]1C[C@@H](OCC)C12CCOCC2 ZINC000248978907 283173353 /nfs/dbraw/zinc/17/33/53/283173353.db2.gz IIRGUVSUXUSJAM-JKSUJKDBSA-N 1 0 298.471 2.282 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc(O)cc1 ZINC000134145739 366291422 /nfs/dbraw/zinc/29/14/22/366291422.db2.gz HWHIRZZDIJEPBR-HUUCEWRRSA-N 1 0 288.391 2.020 10 0 CEAERO CC(C)(C)OC(=O)N1CCC2(CC1)[NH2+]C(C)(C)CO2 ZINC000575409825 366279617 /nfs/dbraw/zinc/27/96/17/366279617.db2.gz BVIDMTPAMUFVTJ-UHFFFAOYSA-N 1 0 270.373 2.112 10 0 CEAERO C[C@@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)[NH2+]CCS2 ZINC000575511552 366292824 /nfs/dbraw/zinc/29/28/24/366292824.db2.gz FWZMUZXZIWTLMY-MFKMUULPSA-N 1 0 272.414 2.439 10 0 CEAERO [NH3+]C1(c2c(Cl)cccc2Br)COC1 ZINC000575581250 366295657 /nfs/dbraw/zinc/29/56/57/366295657.db2.gz MQNCRSSBUKIAKT-UHFFFAOYSA-N 1 0 262.534 2.287 10 0 CEAERO C[C@H]1C[C@@H]1NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000075978034 363503734 /nfs/dbraw/zinc/50/37/34/363503734.db2.gz WDVQJMKVSJIYDY-HOCLYGCPSA-N 1 0 287.407 2.312 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@@H](C)C1CCOCC1 ZINC000134816653 366363388 /nfs/dbraw/zinc/36/33/88/366363388.db2.gz COANYTGBUUCECG-DZGCQCFKSA-N 1 0 299.459 2.077 10 0 CEAERO CC(C)CN(CC[NH+](C)C)C(=O)N[C@H](C)C(C)C ZINC000079122214 363580116 /nfs/dbraw/zinc/58/01/16/363580116.db2.gz YEVQOVXUYPZIEU-CYBMUJFWSA-N 1 0 257.422 2.260 10 0 CEAERO C[C@H]1CCCN(c2nnc(C(F)(F)F)s2)[C@H]1C[NH3+] ZINC000253160494 538828491 /nfs/dbraw/zinc/82/84/91/538828491.db2.gz SYZOLCPKCIWGTH-BQBZGAKWSA-N 1 0 280.319 2.121 10 0 CEAERO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H]2C[C@@H]2C)c1 ZINC000120400958 538846241 /nfs/dbraw/zinc/84/62/41/538846241.db2.gz IQOKJYVGXXCESW-GVXVVHGQSA-N 1 0 292.379 2.419 10 0 CEAERO Cc1noc(C)c1[C@H](C)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000155508161 540297967 /nfs/dbraw/zinc/29/79/67/540297967.db2.gz BJKGVQUROKPPCD-COPLHBTASA-N 1 0 293.411 2.240 10 0 CEAERO COC(=O)C[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000259549991 540359580 /nfs/dbraw/zinc/35/95/80/540359580.db2.gz HEKMVIXBRSPHQL-LURJTMIESA-N 1 0 278.171 2.116 10 0 CEAERO OCC[C@@H]1CCC[C@@H]1[NH2+]Cc1nc2cccnc2s1 ZINC000329211033 202234727 /nfs/dbraw/zinc/23/47/27/202234727.db2.gz YZXVIFVALJEABD-QWRGUYRKSA-N 1 0 277.393 2.332 10 0 CEAERO CC(C)[C@@H]1CCCN(C(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC000079521852 363612287 /nfs/dbraw/zinc/61/22/87/363612287.db2.gz XZHOJVWTWQUQJV-UKRRQHHQSA-N 1 0 252.402 2.413 10 0 CEAERO CC[C@]1(C)C[N@H+](C[C@@H](O)COCc2ccccc2)CCO1 ZINC000135606616 366460481 /nfs/dbraw/zinc/46/04/81/366460481.db2.gz CDABKHOFPQACAO-IAGOWNOFSA-N 1 0 293.407 2.065 10 0 CEAERO CC(C)CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)C1CC1 ZINC000338779730 366519158 /nfs/dbraw/zinc/51/91/58/366519158.db2.gz LHOBMFLLOOKBET-YUTCNCBUSA-N 1 0 252.402 2.458 10 0 CEAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@H]1Cc2ccccc21 ZINC000261599190 283416659 /nfs/dbraw/zinc/41/66/59/283416659.db2.gz AWDCYTLGDOJWCH-ZBAHALTISA-N 1 0 284.403 2.349 10 0 CEAERO C/C=C/C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000685939251 540634929 /nfs/dbraw/zinc/63/49/29/540634929.db2.gz CFCNXKYECYLHRK-SZZVUECUSA-N 1 0 262.328 2.045 10 0 CEAERO [NH3+]C[C@@H]1CN(c2ccnc3cc(Cl)ccc32)CCO1 ZINC000041162084 283487997 /nfs/dbraw/zinc/48/79/97/283487997.db2.gz SQCOIZMHXFZHBA-LLVKDONJSA-N 1 0 277.755 2.052 10 0 CEAERO C[NH2+]CCC(=O)NC[C@H]1CCCC[C@H]1C(F)(F)F ZINC000262357840 283505218 /nfs/dbraw/zinc/50/52/18/283505218.db2.gz JZFNJMMRTNORFX-NXEZZACHSA-N 1 0 266.307 2.081 10 0 CEAERO C[C@@H]1CC[C@H](C(=O)N(CC[NH+](C)C)Cc2ccccc2)O1 ZINC000151038572 366613621 /nfs/dbraw/zinc/61/36/21/366613621.db2.gz UMHBTCXHENZIPU-GDBMZVCRSA-N 1 0 290.407 2.144 10 0 CEAERO CCC[C@@H](C)NC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000673849751 540700317 /nfs/dbraw/zinc/70/03/17/540700317.db2.gz XLRSIKPPFCSGAT-OLZOCXBDSA-N 1 0 255.406 2.301 10 0 CEAERO C[C@@H]([NH3+])[C@H]1CCCN(c2nccc(C(F)(F)F)n2)C1 ZINC000081585704 363732978 /nfs/dbraw/zinc/73/29/78/363732978.db2.gz NLUMAZLHRGSSBJ-BDAKNGLRSA-N 1 0 274.290 2.059 10 0 CEAERO CCOc1ccccc1[C@H](C)[NH2+][C@@H](C)CS(C)(=O)=O ZINC000081901647 363745678 /nfs/dbraw/zinc/74/56/78/363745678.db2.gz IEKQHOSEATUAAJ-RYUDHWBXSA-N 1 0 285.409 2.169 10 0 CEAERO C[C@@H](C(=O)N[C@H](C[NH+](C)C)c1ccccc1)C1CC1 ZINC000178398786 189113444 /nfs/dbraw/zinc/11/34/44/189113444.db2.gz MYVBBYMURILNNX-IUODEOHRSA-N 1 0 260.381 2.452 10 0 CEAERO Cc1cccc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)c1Cl ZINC000179098495 189169353 /nfs/dbraw/zinc/16/93/53/189169353.db2.gz LCCCMQZYFVZLQB-GFCCVEGCSA-N 1 0 296.798 2.051 10 0 CEAERO CC[N@H+](CC(=O)N[C@@H](C)COCc1ccccc1)C1CC1 ZINC000179177074 189175244 /nfs/dbraw/zinc/17/52/44/189175244.db2.gz UKKNSNZUPGTTDB-AWEZNQCLSA-N 1 0 290.407 2.192 10 0 CEAERO [NH3+][C@@H]1CC[C@H]2CN(c3nc4ccccc4s3)C[C@H]12 ZINC000261555615 283602064 /nfs/dbraw/zinc/60/20/64/283602064.db2.gz BMVTXJYMIGSQCJ-GARJFASQSA-N 1 0 259.378 2.470 10 0 CEAERO CC[C@@H](O)C[NH+]1CCN(Cc2cc(F)ccc2C)CC1 ZINC000180128835 189238684 /nfs/dbraw/zinc/23/86/84/189238684.db2.gz YHFKVJNQNWFRHC-MRXNPFEDSA-N 1 0 280.387 2.023 10 0 CEAERO COc1ccc([C@@H](C)[NH2+][C@H]2CCc3ncnn3C2)c(F)c1 ZINC000180605354 189265433 /nfs/dbraw/zinc/26/54/33/189265433.db2.gz RFVLNEDWJPVOOH-MNOVXSKESA-N 1 0 290.342 2.091 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(C(=O)OC)co1 ZINC000180845958 189279177 /nfs/dbraw/zinc/27/91/77/189279177.db2.gz LCJQGUBYOGDZQH-ZIAGYGMSSA-N 1 0 292.379 2.125 10 0 CEAERO NC(=[NH2+])c1cccc(Cn2c(C(N)=O)cc3ccccc32)c1 ZINC000003833790 361290469 /nfs/dbraw/zinc/29/04/69/361290469.db2.gz CSXHXRAWRIXMPG-UHFFFAOYSA-N 1 0 292.342 2.073 10 0 CEAERO O=C(Nc1ccc2c(c1)OCC[NH2+]C2)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638671756 370676476 /nfs/dbraw/zinc/67/64/76/370676476.db2.gz UELFNDPQJJBXEJ-CLLJXQQHSA-N 1 0 272.348 2.153 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccnc(Cl)c1 ZINC000181922148 189310020 /nfs/dbraw/zinc/31/00/20/189310020.db2.gz ULEWMLMJCWDOCI-CMPLNLGQSA-N 1 0 294.786 2.435 10 0 CEAERO CC[C@H](O)C[NH+]1CCN(CCCc2ccc(C)cc2)CC1 ZINC000181922620 189310174 /nfs/dbraw/zinc/31/01/74/189310174.db2.gz DNQHQMQKWQOTDZ-SFHVURJKSA-N 1 0 290.451 2.316 10 0 CEAERO CCCS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000181639472 189303287 /nfs/dbraw/zinc/30/32/87/189303287.db2.gz KSQFVPDTJIYWOB-JTQLQIEISA-N 1 0 291.363 2.440 10 0 CEAERO CCOC(=O)[C@H](CC(C)C)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000182177974 189316604 /nfs/dbraw/zinc/31/66/04/189316604.db2.gz YIWFYZKYKKZPFH-ZFWWWQNUSA-N 1 0 293.411 2.187 10 0 CEAERO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)CC3CC3)C2=O)n(C)n1 ZINC000182335821 189320791 /nfs/dbraw/zinc/32/07/91/189320791.db2.gz VAKMPGKUWLGGBQ-BXUZGUMPSA-N 1 0 290.411 2.002 10 0 CEAERO COc1cc(CNc2cc[nH+]cc2)cc(OC)c1O ZINC000083439637 363773998 /nfs/dbraw/zinc/77/39/98/363773998.db2.gz YJMONWXKJXYVRI-UHFFFAOYSA-N 1 0 260.293 2.417 10 0 CEAERO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)CC3CC3)C2=O)n(C)n1 ZINC000182335783 189320496 /nfs/dbraw/zinc/32/04/96/189320496.db2.gz VAKMPGKUWLGGBQ-SMDDNHRTSA-N 1 0 290.411 2.002 10 0 CEAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)Cc1ccccc1O ZINC000083704967 363785002 /nfs/dbraw/zinc/78/50/02/363785002.db2.gz WXGLXVLPLKTVAK-DZGCQCFKSA-N 1 0 288.391 2.020 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccnc(Cl)c1 ZINC000083550898 363780239 /nfs/dbraw/zinc/78/02/39/363780239.db2.gz YEEGUARVFVQREA-WCQYABFASA-N 1 0 265.788 2.404 10 0 CEAERO CC1(C)C[N@H+](C[C@@H](O)COCc2ccccc2)CCS1 ZINC000083690610 363783835 /nfs/dbraw/zinc/78/38/35/363783835.db2.gz SGHGKLOGCDQRRA-OAHLLOKOSA-N 1 0 295.448 2.392 10 0 CEAERO Cc1cc(C)nc(NC[C@H]2CCC[N@H+]2CC(C)C)n1 ZINC000340054172 366758595 /nfs/dbraw/zinc/75/85/95/366758595.db2.gz HNIWSCIFNKRXHN-CQSZACIVSA-N 1 0 262.401 2.048 10 0 CEAERO CC(C)[C@@H](C)[NH2+][C@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000012672281 361396477 /nfs/dbraw/zinc/39/64/77/361396477.db2.gz ROBUVDYMFNYAOF-VXGBXAGGSA-N 1 0 277.368 2.357 10 0 CEAERO O=C(NC1(c2ccc(F)cc2F)CCC1)C1CC[NH2+]CC1 ZINC000182867538 189337750 /nfs/dbraw/zinc/33/77/50/189337750.db2.gz SHWKFWXMOPKFTI-UHFFFAOYSA-N 1 0 294.345 2.460 10 0 CEAERO COC(=O)c1ccc(C[NH2+][C@H](C)[C@@H]2CCCO2)s1 ZINC000183177491 189348885 /nfs/dbraw/zinc/34/88/85/189348885.db2.gz ILXHJUKBSVQNLC-KOLCDFICSA-N 1 0 269.366 2.192 10 0 CEAERO COC(=O)c1ccc(C[NH2+][C@@H](C)[C@@H]2CCCO2)s1 ZINC000183177477 189349055 /nfs/dbraw/zinc/34/90/55/189349055.db2.gz ILXHJUKBSVQNLC-ONGXEEELSA-N 1 0 269.366 2.192 10 0 CEAERO Cc1ccccc1CN(C)C(=O)C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000183191755 189349658 /nfs/dbraw/zinc/34/96/58/189349658.db2.gz ANVVPXAMJNEQRX-GDBMZVCRSA-N 1 0 290.407 2.111 10 0 CEAERO C[C@@H]1CC[C@H](C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)O1 ZINC000155078911 366805886 /nfs/dbraw/zinc/80/58/86/366805886.db2.gz XSPBIZSLOITKGX-GYTBAZASSA-N 1 0 294.439 2.277 10 0 CEAERO C[C@H](C[NH2+][C@@H](C)c1cccc(F)c1F)N1CCOCC1 ZINC000183216470 189350354 /nfs/dbraw/zinc/35/03/54/189350354.db2.gz GUPPDTOCSBNWAH-NEPJUHHUSA-N 1 0 284.350 2.336 10 0 CEAERO C[C@@H](C[NH2+][C@@H](C)c1cccc(F)c1F)N1CCOCC1 ZINC000183216450 189350586 /nfs/dbraw/zinc/35/05/86/189350586.db2.gz GUPPDTOCSBNWAH-RYUDHWBXSA-N 1 0 284.350 2.336 10 0 CEAERO Cc1cccnc1/C=C/C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000183457794 189359812 /nfs/dbraw/zinc/35/98/12/189359812.db2.gz PDPDBXRTOFDRBF-XVJNWHFHSA-N 1 0 289.423 2.496 10 0 CEAERO O=C(/C=C/c1ccc(O)cc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000183502724 189360492 /nfs/dbraw/zinc/36/04/92/189360492.db2.gz DRFMEHQZROURKC-PPYMECGQSA-N 1 0 286.375 2.102 10 0 CEAERO Cn1nccc1[C@@H](OCC[NH+](C)C)c1cccs1 ZINC000013914281 361443786 /nfs/dbraw/zinc/44/37/86/361443786.db2.gz CIJATQMMNKXTJJ-CYBMUJFWSA-N 1 0 265.382 2.149 10 0 CEAERO OC[C@H]1CCC[N@@H+]1C[C@@H]1CCCN1c1ccc(Cl)cn1 ZINC000301713954 201155259 /nfs/dbraw/zinc/15/52/59/201155259.db2.gz JAOOYRKVMNFZDW-UONOGXRCSA-N 1 0 295.814 2.161 10 0 CEAERO COc1ccc([C@]23CC[N@H+](C)[C@@H]2CC(=O)CC3)cc1OC ZINC000014589287 361458098 /nfs/dbraw/zinc/45/80/98/361458098.db2.gz DAHIQPJTGIHDGO-SJORKVTESA-N 1 0 289.375 2.399 10 0 CEAERO CCC[C@@H](C(=O)NC[C@H](C)c1ncc(C)s1)[NH+](C)C ZINC000184017045 189374620 /nfs/dbraw/zinc/37/46/20/189374620.db2.gz YLJKHXLKMVAOLM-JQWIXIFHSA-N 1 0 283.441 2.402 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cnn2ccccc12 ZINC000184056775 189374891 /nfs/dbraw/zinc/37/48/91/189374891.db2.gz NUUOKEBUNFPLIO-JKSUJKDBSA-N 1 0 284.407 2.393 10 0 CEAERO CC/C=C/CC[N@@H+]1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000184527957 189388315 /nfs/dbraw/zinc/38/83/15/189388315.db2.gz ZWKCIXHEYNWQBO-RGDDUWESSA-N 1 0 263.385 2.249 10 0 CEAERO c1ccc(C[C@@H]2CN[C@@H](Cc3ccccc3)C[NH2+]2)cc1 ZINC000022924903 361589876 /nfs/dbraw/zinc/58/98/76/361589876.db2.gz MHZXGSQZAQYQPG-HDICACEKSA-N 1 0 266.388 2.402 10 0 CEAERO CC(C)[NH2+]C[C@@H](O)COc1ccc(COCC2CC2)cc1 ZINC000025969160 361634056 /nfs/dbraw/zinc/63/40/56/361634056.db2.gz UOKWVICUCYNXFO-MRXNPFEDSA-N 1 0 293.407 2.351 10 0 CEAERO Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](CC(C)C)CN(C)C ZINC000087408816 363853067 /nfs/dbraw/zinc/85/30/67/363853067.db2.gz LKQKDWMCWDZXRL-TZMCWYRMSA-N 1 0 266.433 2.355 10 0 CEAERO Ic1cccc(N[C@@H]2CC[NH2+]C2)c1 ZINC000086725925 363838474 /nfs/dbraw/zinc/83/84/74/363838474.db2.gz KUTRRFUSVKIBMC-SNVBAGLBSA-N 1 0 288.132 2.065 10 0 CEAERO CC(C)[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000088478868 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[NH3+][C@H]1CC[C@@H](C(=O)NCCCCOCc2ccccc2)C1 ZINC000237930929 370760595 /nfs/dbraw/zinc/76/05/95/370760595.db2.gz WWOFEUSWNYFWBY-CVEARBPZSA-N 1 0 290.407 2.227 10 0 CEAERO Cc1c(C[NH2+]C[C@H](c2cccs2)N(C)C)cnn1C ZINC000093649345 364208558 /nfs/dbraw/zinc/20/85/58/364208558.db2.gz PUFLXNNNJLLKMJ-CYBMUJFWSA-N 1 0 278.425 2.183 10 0 CEAERO [NH3+][C@H]1CC[C@@H](C(=O)Nc2ccc(N3CCCCC3)cn2)C1 ZINC000237880221 370756080 /nfs/dbraw/zinc/75/60/80/370756080.db2.gz CFPBEKRHGLJBSV-OLZOCXBDSA-N 1 0 288.395 2.138 10 0 CEAERO COc1c(C[N@@H+]2CCS[C@@H](C(C)C)C2)c(C)nn1C ZINC000093869238 364235445 /nfs/dbraw/zinc/23/54/45/364235445.db2.gz JBRRRMZNBRNTPD-CYBMUJFWSA-N 1 0 283.441 2.311 10 0 CEAERO CCOc1nc2ccccc2nc1NC[C@@H]1CCC[NH2+]1 ZINC000095069716 364329958 /nfs/dbraw/zinc/32/99/58/364329958.db2.gz QYNISSRZIWFAMO-NSHDSACASA-N 1 0 272.352 2.192 10 0 CEAERO CCOc1nc2ccccc2nc1N[C@@H]1CCC[NH2+]C1 ZINC000095069679 364329987 /nfs/dbraw/zinc/32/99/87/364329987.db2.gz BLGMMBUHVJHRHR-LLVKDONJSA-N 1 0 272.352 2.192 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PQHRBKCQPQPPFM-OCCSQVGLSA-N 1 0 258.365 2.056 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NCCC(C)(C)C ZINC000180830617 368398306 /nfs/dbraw/zinc/39/83/06/368398306.db2.gz XAJMNKJWDZSEMW-LSDHHAIUSA-N 1 0 295.471 2.097 10 0 CEAERO C[C@H](Cc1ccccc1)CN1CCO[C@H](C[NH+](C)C)C1 ZINC000182026403 368516589 /nfs/dbraw/zinc/51/65/89/368516589.db2.gz QKQGWDPRNOVQRK-NVXWUHKLSA-N 1 0 276.424 2.128 10 0 CEAERO CCc1cnc(C[NH2+]C2CCN(C(=O)C(C)C)CC2)s1 ZINC000346207649 368592420 /nfs/dbraw/zinc/59/24/20/368592420.db2.gz JUJCPKPNMLZPIA-UHFFFAOYSA-N 1 0 295.452 2.442 10 0 CEAERO C[C@@H](c1nc(C2CC2)no1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246184273 370922949 /nfs/dbraw/zinc/92/29/49/370922949.db2.gz LBWWBGNYZQMMSP-AAEUAGOBSA-N 1 0 276.384 2.178 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccoc1 ZINC000246109985 370910560 /nfs/dbraw/zinc/91/05/60/370910560.db2.gz HTKWUZJLPWXSJT-KGLIPLIRSA-N 1 0 277.368 2.048 10 0 CEAERO COCc1cccc(CN2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000246273158 370939151 /nfs/dbraw/zinc/93/91/51/370939151.db2.gz AIVYSELWNOARFV-INIZCTEOSA-N 1 0 260.381 2.113 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H]1CCCS1 ZINC000246296010 370941914 /nfs/dbraw/zinc/94/19/14/370941914.db2.gz CTBIVCJBZVURGY-RDBSUJKOSA-N 1 0 297.468 2.150 10 0 CEAERO CCC[C@H](C(=O)Nc1cccc2c1OCC[C@H]2O)[NH+](C)C ZINC000185284821 368781742 /nfs/dbraw/zinc/78/17/42/368781742.db2.gz GGAFTRZCMJNISL-ZIAGYGMSSA-N 1 0 292.379 2.171 10 0 CEAERO Cc1scc(CNC(=O)[C@]23CCC[C@H]2C[NH2+]C3)c1C ZINC000634772603 368876827 /nfs/dbraw/zinc/87/68/27/368876827.db2.gz TYCGCTJHWRVSDO-ZFWWWQNUSA-N 1 0 278.421 2.371 10 0 CEAERO Cc1ccc(NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)c(F)c1 ZINC000634736290 368849971 /nfs/dbraw/zinc/84/99/71/368849971.db2.gz HNISUSMNKRTCGR-NHYWBVRUSA-N 1 0 262.328 2.462 10 0 CEAERO CSCCCCCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000186159139 368927701 /nfs/dbraw/zinc/92/77/01/368927701.db2.gz DEWDCRAIQUORRO-ZDUSSCGKSA-N 1 0 285.457 2.009 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]CCc2ccccn2)C12CCOCC2 ZINC000186199037 368936072 /nfs/dbraw/zinc/93/60/72/368936072.db2.gz QWRQOTCZKVQOEX-HZPDHXFCSA-N 1 0 290.407 2.188 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]Cc2cncs2)C12CCOCC2 ZINC000186503958 368984444 /nfs/dbraw/zinc/98/44/44/368984444.db2.gz UWGCSULZLDMMKV-QWHCGFSZSA-N 1 0 282.409 2.207 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+]Cc2cncs2)C12CCOCC2 ZINC000186504010 368984708 /nfs/dbraw/zinc/98/47/08/368984708.db2.gz UWGCSULZLDMMKV-OLZOCXBDSA-N 1 0 282.409 2.207 10 0 CEAERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCS(=O)(=O)CC2)o1 ZINC000634950434 368985939 /nfs/dbraw/zinc/98/59/39/368985939.db2.gz RQGILZRVKRWQEQ-VXGBXAGGSA-N 1 0 271.382 2.206 10 0 CEAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C2CCS(=O)(=O)CC2)o1 ZINC000186934536 369071782 /nfs/dbraw/zinc/07/17/82/369071782.db2.gz WKBDMPZERUUDTD-NWDGAFQWSA-N 1 0 285.409 2.452 10 0 CEAERO CCOC(=O)[C@H](CC)N1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000188081629 369292303 /nfs/dbraw/zinc/29/23/03/369292303.db2.gz RUMPNIFMEKFLDC-RDBSUJKOSA-N 1 0 297.420 2.098 10 0 CEAERO OC[C@@H]1C[N@H+](CCc2ccncc2)C[C@H]1c1ccsc1 ZINC000188124536 369301275 /nfs/dbraw/zinc/30/12/75/369301275.db2.gz KENMBIPSWVJODT-HOTGVXAUSA-N 1 0 288.416 2.394 10 0 CEAERO CC[NH+]1CCC(CCNC(=O)[C@@H]2CCCO[C@@H]2C)CC1 ZINC000188154549 369307784 /nfs/dbraw/zinc/30/77/84/369307784.db2.gz JRJIIZXCISPOKP-UKRRQHHQSA-N 1 0 282.428 2.040 10 0 CEAERO C[C@@H]1C(=O)NCCCN1Cc1cnc(C(C)(C)C)s1 ZINC000189099127 369457954 /nfs/dbraw/zinc/45/79/54/369457954.db2.gz WYFNBUWLJWGRFY-SNVBAGLBSA-N 1 0 281.425 2.151 10 0 CEAERO CN1CC[C@](O)(C[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)C1 ZINC000358259122 370977744 /nfs/dbraw/zinc/97/77/44/370977744.db2.gz UIZDSTFWNIHYRX-LZWOXQAQSA-N 1 0 268.445 2.248 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(C)c1O ZINC000246645634 370988613 /nfs/dbraw/zinc/98/86/13/370988613.db2.gz WDXRJKYPNNURQR-KBPBESRZSA-N 1 0 288.391 2.399 10 0 CEAERO CC(C)n1ncc2cc(C[NH2+][C@H]3CCCC[C@@H]3O)cnc21 ZINC000189794042 369567837 /nfs/dbraw/zinc/56/78/37/369567837.db2.gz QZNVPXPWMZQBJZ-GJZGRUSLSA-N 1 0 288.395 2.405 10 0 CEAERO CN(C(=O)Cc1c(F)cccc1F)[C@@H]1CCC[NH2+]CC1 ZINC000231490097 189813388 /nfs/dbraw/zinc/81/33/88/189813388.db2.gz CARRNNVXSQWCGP-LLVKDONJSA-N 1 0 282.334 2.108 10 0 CEAERO CCn1cnnc1C1CC[NH+](Cc2cncc(C)c2)CC1 ZINC000189879608 369575262 /nfs/dbraw/zinc/57/52/62/369575262.db2.gz TYTJRJKJELXTCC-UHFFFAOYSA-N 1 0 285.395 2.381 10 0 CEAERO C[C@H]1OCCC[C@H]1C(=O)NCc1ccccc1C[NH+](C)C ZINC000191159514 369686975 /nfs/dbraw/zinc/68/69/75/369686975.db2.gz JVVYSORZIXSHKF-CZUORRHYSA-N 1 0 290.407 2.180 10 0 CEAERO C[C@@H]1CC[C@H](C[N@@H+]2C[C@H](CO)[C@H](c3ccsc3)C2)O1 ZINC000191287121 369697936 /nfs/dbraw/zinc/69/79/36/369697936.db2.gz VWXJCHWFUFFGRD-NGFQHRJXSA-N 1 0 281.421 2.323 10 0 CEAERO C[N@H+](CC(=O)Nc1cccc(Cl)c1)[C@H]1CCC[C@@H]1O ZINC000352657531 369822520 /nfs/dbraw/zinc/82/25/20/369822520.db2.gz GNBICEWQDLKGTD-STQMWFEESA-N 1 0 282.771 2.124 10 0 CEAERO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCSCc1ccccc1 ZINC000192536119 369825979 /nfs/dbraw/zinc/82/59/79/369825979.db2.gz MPKTZYSSNOGAGN-OAHLLOKOSA-N 1 0 292.448 2.472 10 0 CEAERO O[C@H](CN[C@H]1CCCc2occc21)C[NH+]1CCCCC1 ZINC000192721954 369846113 /nfs/dbraw/zinc/84/61/13/369846113.db2.gz KECQZYCZENWYDY-HIFRSBDPSA-N 1 0 278.396 2.093 10 0 CEAERO C[NH+](C)C[C@H]1CN(Cc2cc(Cl)cs2)CCO1 ZINC000194295516 370022524 /nfs/dbraw/zinc/02/25/24/370022524.db2.gz PVLAJDNKCAUEAJ-NSHDSACASA-N 1 0 274.817 2.164 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC000195222919 370115886 /nfs/dbraw/zinc/11/58/86/370115886.db2.gz ILOPPESITFAGIW-QLFBSQMISA-N 1 0 291.370 2.027 10 0 CEAERO CCCCOC[C@@H](O)C[N@H+]([C@@H](C)C1CC1)C1CC1 ZINC000195146691 370109369 /nfs/dbraw/zinc/10/93/69/370109369.db2.gz YSFZADIRPBWJSC-WFASDCNBSA-N 1 0 255.402 2.427 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc(F)c(Cl)c1 ZINC000212807127 370167350 /nfs/dbraw/zinc/16/73/50/370167350.db2.gz ZIWGDGWKCVPIMS-JTQLQIEISA-N 1 0 270.735 2.433 10 0 CEAERO COc1ccc(C)cc1[C@@H](C)NC(=O)CCC1C[NH2+]C1 ZINC000637892630 370151882 /nfs/dbraw/zinc/15/18/82/370151882.db2.gz CWSJYGBKOVSDOE-GFCCVEGCSA-N 1 0 276.380 2.180 10 0 CEAERO O[C@@]12CCCC[C@H]1C[N@H+](CCc1cccnc1)CC2 ZINC000220398580 370232593 /nfs/dbraw/zinc/23/25/93/370232593.db2.gz GKOBULUQJSWNIZ-JKSUJKDBSA-N 1 0 260.381 2.251 10 0 CEAERO CC(C)(C)OC(=O)NCC[NH2+][C@@H]1CCc2c1cccc2O ZINC000222094390 370248898 /nfs/dbraw/zinc/24/88/98/370248898.db2.gz BVGUUVXDJPRZKY-CYBMUJFWSA-N 1 0 292.379 2.494 10 0 CEAERO CC(C)[C@@H]1C[NH2+]CCN1c1cnc2ccccc2n1 ZINC000217812889 370201914 /nfs/dbraw/zinc/20/19/14/370201914.db2.gz VSVMYEVRIOUTHJ-AWEZNQCLSA-N 1 0 256.353 2.064 10 0 CEAERO CC[NH2+][C@H](C)C(=O)N1CCCC[C@H]1c1nccs1 ZINC000638095890 370295483 /nfs/dbraw/zinc/29/54/83/370295483.db2.gz JOMVZKIJWYDAFK-MNOVXSKESA-N 1 0 267.398 2.195 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cccc(NC)c1 ZINC000638109891 370306828 /nfs/dbraw/zinc/30/68/28/370306828.db2.gz XFIGZDGEWPRKHY-OAHLLOKOSA-N 1 0 275.396 2.285 10 0 CEAERO CN(C(=O)[C@H]1CCCC12CC2)[C@@H]1CCC[NH2+]CC1 ZINC000638191370 370365977 /nfs/dbraw/zinc/36/59/77/370365977.db2.gz AOGCSBNXLCHVTC-CHWSQXEVSA-N 1 0 250.386 2.167 10 0 CEAERO CC[C@H]([NH2+]CCn1cc(C)cn1)c1ccc(F)cn1 ZINC000226611682 370348594 /nfs/dbraw/zinc/34/85/94/370348594.db2.gz RFBGXLDQKVECIA-ZDUSSCGKSA-N 1 0 262.332 2.467 10 0 CEAERO Cc1cc(C(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)cc(Cl)n1 ZINC000228427203 370403018 /nfs/dbraw/zinc/40/30/18/370403018.db2.gz QUBUTRCYVMBOGI-BXKDBHETSA-N 1 0 281.787 2.066 10 0 CEAERO C[C@@H]([NH3+])[C@H]1CCCN(c2nc(C(F)(F)F)ns2)C1 ZINC000228790280 370413191 /nfs/dbraw/zinc/41/31/91/370413191.db2.gz OAYKUOMXACHKKX-RQJHMYQMSA-N 1 0 280.319 2.121 10 0 CEAERO O[C@@]12CCCC[C@H]1C[N@H+](Cc1cncc(F)c1)CC2 ZINC000230955189 370471356 /nfs/dbraw/zinc/47/13/56/370471356.db2.gz WHBMSPXRXCZWTA-DZGCQCFKSA-N 1 0 264.344 2.348 10 0 CEAERO CC[NH2+][C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000638377031 370484638 /nfs/dbraw/zinc/48/46/38/370484638.db2.gz QWXQWTMKAKGPHR-KXUCPTDWSA-N 1 0 266.307 2.222 10 0 CEAERO CN(CC(=O)Nc1ccc(Cl)cc1)[C@H]1CCC[NH2+]CC1 ZINC000231670859 370486809 /nfs/dbraw/zinc/48/68/09/370486809.db2.gz UXGOMUMTDJKNLZ-AWEZNQCLSA-N 1 0 295.814 2.352 10 0 CEAERO COc1ncc(Cl)c(N[C@@H](C[NH3+])C2CCCC2)n1 ZINC000235054234 370555018 /nfs/dbraw/zinc/55/50/18/370555018.db2.gz JKQMYMOKCMFAEG-JTQLQIEISA-N 1 0 270.764 2.068 10 0 CEAERO CC1CC(C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000638547565 370602548 /nfs/dbraw/zinc/60/25/48/370602548.db2.gz GGMKRFJETKKJRS-TVUZUIDESA-N 1 0 278.318 2.018 10 0 CEAERO C[C@@H]1CN(Cc2csc(Br)c2)C[C@@H]1[NH3+] ZINC000235327711 370562346 /nfs/dbraw/zinc/56/23/46/370562346.db2.gz XNOGUHUHYPLPCX-APPZFPTMSA-N 1 0 275.215 2.290 10 0 CEAERO Cc1ccc(-c2nc(CN3C[C@@H](C)[C@@H]([NH3+])C3)co2)cc1 ZINC000235405335 370564758 /nfs/dbraw/zinc/56/47/58/370564758.db2.gz VHEYEPGSNMQYCI-DOMZBBRYSA-N 1 0 271.364 2.429 10 0 CEAERO [NH3+]C[C@H](Nc1ncc(Br)cn1)C1CCCC1 ZINC000236238258 370585692 /nfs/dbraw/zinc/58/56/92/370585692.db2.gz HFSHSNASHGTVQC-JTQLQIEISA-N 1 0 285.189 2.169 10 0 CEAERO CCSCC[C@H](C)N(C)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000236850074 370639923 /nfs/dbraw/zinc/63/99/23/370639923.db2.gz MTNPLLUAFYDLFW-RWMBFGLXSA-N 1 0 272.458 2.494 10 0 CEAERO O[C@@H](CN1CC[N@@H+]2CCC[C@H]2C1)c1cccc(Cl)c1 ZINC000246736006 371002568 /nfs/dbraw/zinc/00/25/68/371002568.db2.gz NPZMUAMQFGOUCE-GJZGRUSLSA-N 1 0 280.799 2.153 10 0 CEAERO Cc1ccc(OCC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1 ZINC000247029620 371050634 /nfs/dbraw/zinc/05/06/34/371050634.db2.gz HRJDCIGONOMLNC-ZBFHGGJFSA-N 1 0 290.407 2.219 10 0 CEAERO CCCCc1nc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)no1 ZINC000246813934 371014647 /nfs/dbraw/zinc/01/46/47/371014647.db2.gz CFSAADKESCOJJQ-OLZOCXBDSA-N 1 0 278.400 2.081 10 0 CEAERO CC[C@@H]1CN(C(=O)C[C@@H](C)CC(C)C)CC[N@@H+]1C[C@H](C)O ZINC000246857164 371021349 /nfs/dbraw/zinc/02/13/49/371021349.db2.gz NFVYGVDNBMOURW-HRCADAONSA-N 1 0 298.471 2.362 10 0 CEAERO CC[C@H]1CN(C(=O)NC[C@H](C)C(C)C)CC[N@@H+]1CCOC ZINC000246992513 371042474 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292.354 2.088 10 0 CEAERO CC[C@@H](O)CN1CC[NH+](CC(C)(C)c2ccccc2)CC1 ZINC000180163484 542261706 /nfs/dbraw/zinc/26/17/06/542261706.db2.gz MRAVZQSIQZJIHM-QGZVFWFLSA-N 1 0 290.451 2.353 10 0 CEAERO Cc1n[nH]cc1[C@@H](C)[NH2+][C@H](CC(C)C)CN(C)C ZINC000180436008 542263771 /nfs/dbraw/zinc/26/37/71/542263771.db2.gz CBZHLDZNPYMMBK-DGCLKSJQSA-N 1 0 252.406 2.345 10 0 CEAERO Cc1nc2c(c(N3C[C@H]4CCC[N@H+]4C[C@@H]3C)n1)CCCC2 ZINC000302046562 379319064 /nfs/dbraw/zinc/31/90/64/379319064.db2.gz LBAXXTRZUGTZJM-GXTWGEPZSA-N 1 0 286.423 2.337 10 0 CEAERO OCC[C@H]1CC[N@H+](CCCCC2CCOCC2)C1 ZINC000302242554 379345292 /nfs/dbraw/zinc/34/52/92/379345292.db2.gz FWZLMESPNPGYJV-OAHLLOKOSA-N 1 0 255.402 2.288 10 0 CEAERO CC[N@H+](C)[C@@H]1CCN(c2cc(C)nc(-c3ccncc3)n2)C1 ZINC000302740305 379442370 /nfs/dbraw/zinc/44/23/70/379442370.db2.gz CNDORTXSKXYAMV-OAHLLOKOSA-N 1 0 297.406 2.377 10 0 CEAERO Clc1ccc(Cl)c(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000334818343 207131276 /nfs/dbraw/zinc/13/12/76/207131276.db2.gz CTJSMXKVOGBYGY-QWHCGFSZSA-N 1 0 287.190 2.166 10 0 CEAERO CC1CCC(N(C)C(=O)[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000042488192 184554597 /nfs/dbraw/zinc/55/45/97/184554597.db2.gz SXHODZQCKULQPR-CEUNDQEZSA-N 1 0 252.402 2.412 10 0 CEAERO Cc1cccc([C@H]2[C@@H](C[NH2+]C3CC3)OCCN2C)c1 ZINC000070287671 184571430 /nfs/dbraw/zinc/57/14/30/184571430.db2.gz XEUDUUYNQAHRIV-CVEARBPZSA-N 1 0 260.381 2.119 10 0 CEAERO CC(C)N1C(=O)CC[C@H]([NH3+])[C@H]1c1cc(F)ccc1F ZINC000070986804 184574157 /nfs/dbraw/zinc/57/41/57/184574157.db2.gz GFENWRUHCHQATN-GXTWGEPZSA-N 1 0 268.307 2.364 10 0 CEAERO COc1cc(OC)cc([C@H]2[C@H]([NH3+])CCC(=O)N2C(C)C)c1 ZINC000070986956 184574679 /nfs/dbraw/zinc/57/46/79/184574679.db2.gz XKRPQMHZYBQDTQ-ZBFHGGJFSA-N 1 0 292.379 2.103 10 0 CEAERO [NH3+]CC1(OCc2cccc3cccnc32)CCOCC1 ZINC000086713856 184610701 /nfs/dbraw/zinc/61/07/01/184610701.db2.gz BSBZKNOGQDODDL-UHFFFAOYSA-N 1 0 272.348 2.259 10 0 CEAERO C[NH2+][C@H](C[C@H]1CCCO1)c1ccc2c(c1)CC(=O)N2 ZINC000087213303 184612972 /nfs/dbraw/zinc/61/29/72/184612972.db2.gz WMFXWVBLABTVQS-TZMCWYRMSA-N 1 0 260.337 2.011 10 0 CEAERO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]C2CC2)cc1 ZINC000088906274 184613737 /nfs/dbraw/zinc/61/37/37/184613737.db2.gz NRCYSHBAKUSTAQ-UHFFFAOYSA-N 1 0 296.436 2.012 10 0 CEAERO CCc1ccc(C[NH3+])cc1S(=O)(=O)N1CCCCCC1 ZINC000088913489 184614047 /nfs/dbraw/zinc/61/40/47/184614047.db2.gz CTRFGRHDQNMWHG-UHFFFAOYSA-N 1 0 296.436 2.272 10 0 CEAERO CCCCN(C)S(=O)(=O)c1ccccc1C[NH2+]C1CC1 ZINC000088915515 184614552 /nfs/dbraw/zinc/61/45/52/184614552.db2.gz DQSXJALGCTZKTK-UHFFFAOYSA-N 1 0 296.436 2.359 10 0 CEAERO CCC[NH2+]Cc1csc(S(=O)(=O)N(C)CCC)c1 ZINC000088947136 184614835 /nfs/dbraw/zinc/61/48/35/184614835.db2.gz UAEBVDXHAXXCQY-UHFFFAOYSA-N 1 0 290.454 2.278 10 0 CEAERO CCn1cc(CC2(c3ccc(F)cc3)C[NH2+]C2)cn1 ZINC000093196409 184654931 /nfs/dbraw/zinc/65/49/31/184654931.db2.gz ATHWXNHGDSWEFD-UHFFFAOYSA-N 1 0 259.328 2.126 10 0 CEAERO [NH3+][C@@H]1CC[C@H](Nc2cccc(NC(=O)C3CC3)c2)C1 ZINC000093205340 184655121 /nfs/dbraw/zinc/65/51/21/184655121.db2.gz QCQMBMAYTVQUET-RISCZKNCSA-N 1 0 259.353 2.327 10 0 CEAERO [NH3+][C@H]1CC[C@@H](Nc2cccc(NC(=O)C3CC3)c2)C1 ZINC000093205337 184655414 /nfs/dbraw/zinc/65/54/14/184655414.db2.gz QCQMBMAYTVQUET-SMDDNHRTSA-N 1 0 259.353 2.327 10 0 CEAERO CCCCc1noc(-c2csc(CC[NH3+])n2)n1 ZINC000093073463 184647320 /nfs/dbraw/zinc/64/73/20/184647320.db2.gz PZNRQBZIRPWAMV-UHFFFAOYSA-N 1 0 252.343 2.037 10 0 CEAERO Cc1ccc([C@@H](C[NH3+])Cc2ncnn2C(C)C)cc1 ZINC000093136961 184651267 /nfs/dbraw/zinc/65/12/67/184651267.db2.gz VFPFPMPYHMQEKR-CQSZACIVSA-N 1 0 258.369 2.452 10 0 CEAERO C[C@@H](Cc1cccs1)N(C)C(=O)CC(C)(C)[NH3+] ZINC000093272127 184660564 /nfs/dbraw/zinc/66/05/64/184660564.db2.gz IZSQWRQILFNNAY-JTQLQIEISA-N 1 0 254.399 2.265 10 0 CEAERO CCOC(OCC)[C@H](O)Cc1[nH+]cc(C)c(OC)c1C ZINC000093306237 184661877 /nfs/dbraw/zinc/66/18/77/184661877.db2.gz SEMKYUTWFJRQOG-CYBMUJFWSA-N 1 0 283.368 2.010 10 0 CEAERO C[C@@H]1C[C@H]([NH+]2CCC(c3cnn(C)c3)CC2)CCO1 ZINC000335377703 208315441 /nfs/dbraw/zinc/31/54/41/208315441.db2.gz JXCFVMFSTPEELN-IUODEOHRSA-N 1 0 263.385 2.167 10 0 CEAERO COCC[C@@H](C)NC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000101777019 285130431 /nfs/dbraw/zinc/13/04/31/285130431.db2.gz GHGACAJSRJAPSN-UKRRQHHQSA-N 1 0 293.411 2.014 10 0 CEAERO C[C@H](C[C@H]1CCCC[NH2+]1)Nc1cccc(S(C)(=O)=O)c1 ZINC000093486115 184682583 /nfs/dbraw/zinc/68/25/83/184682583.db2.gz WFTWVSJOCXGMND-CHWSQXEVSA-N 1 0 296.436 2.423 10 0 CEAERO C[C@H](C[C@@H]1CCCCC[NH2+]1)Nc1ccc(=O)n(C)c1 ZINC000093515801 184686587 /nfs/dbraw/zinc/68/65/87/184686587.db2.gz REBIIIDZBRMYRD-OLZOCXBDSA-N 1 0 263.385 2.108 10 0 CEAERO COCC[C@]1(C)C[NH+]=C(N)N1c1ccc(Cl)cc1 ZINC000093389844 184669399 /nfs/dbraw/zinc/66/93/99/184669399.db2.gz SRRBMEPJMAMWLM-CYBMUJFWSA-N 1 0 267.760 2.270 10 0 CEAERO C[C@@H](C[C@@H]1CCC[NH2+]1)Nc1cccc(N2CCNC2=O)c1 ZINC000093463783 184678861 /nfs/dbraw/zinc/67/88/61/184678861.db2.gz HIYDFWIUWODXDK-STQMWFEESA-N 1 0 288.395 2.159 10 0 CEAERO C[C@H](C[C@H]1CCCC[NH2+]1)Nc1cccc(C(N)=O)c1 ZINC000093473438 184680834 /nfs/dbraw/zinc/68/08/34/184680834.db2.gz RFSSZWWWUGTUMY-DGCLKSJQSA-N 1 0 261.369 2.118 10 0 CEAERO CCC[NH2+][C@H]1c2ccccc2OC[C@H]1S(=O)(=O)CCC ZINC000081940716 177904263 /nfs/dbraw/zinc/90/42/63/177904263.db2.gz PARRANKBLYETKN-CABCVRRESA-N 1 0 297.420 2.313 10 0 CEAERO CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1S(=O)(=O)CC(C)C ZINC000081928830 177900187 /nfs/dbraw/zinc/90/01/87/177900187.db2.gz HCGHEQJDLJFENO-AGIUHOORSA-N 1 0 261.431 2.224 10 0 CEAERO Cc1ccc(C)c(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000081922287 177896156 /nfs/dbraw/zinc/89/61/56/177896156.db2.gz PKCIYDLQUQXAIL-CHWSQXEVSA-N 1 0 267.394 2.347 10 0 CEAERO C[NH2+][C@H](C)[C@@H](C)Sc1ccc(S(C)(=O)=O)cc1 ZINC000081892305 177879388 /nfs/dbraw/zinc/87/93/88/177879388.db2.gz VBKIRYLZPZNDNM-NXEZZACHSA-N 1 0 273.423 2.179 10 0 CEAERO COc1ccc([C@H]([NH3+])CSc2cnccn2)cc1 ZINC000081885717 177877123 /nfs/dbraw/zinc/87/71/23/177877123.db2.gz AXMYISNWWUUVKF-GFCCVEGCSA-N 1 0 261.350 2.277 10 0 CEAERO CC[C@H]1CC[C@H]([NH3+])[C@H](Sc2n[nH]c(=O)n2C(C)C)C1 ZINC000081879423 177873009 /nfs/dbraw/zinc/87/30/09/177873009.db2.gz KQADBJOXOHYPSU-GARJFASQSA-N 1 0 284.429 2.150 10 0 CEAERO CCC[C@@H]1CC[C@@H]([NH2+]C)[C@H](Sc2nncn2C)C1 ZINC000081866847 177866622 /nfs/dbraw/zinc/86/66/22/177866622.db2.gz VUXJPBLFRLSPMF-IJLUTSLNSA-N 1 0 268.430 2.464 10 0 CEAERO CC[NH2+][C@@H]1CCCCCC[C@@H]1Sc1nnnn1C ZINC000081844056 177865886 /nfs/dbraw/zinc/86/58/86/177865886.db2.gz DMJSECWRDAQCLP-MNOVXSKESA-N 1 0 269.418 2.003 10 0 CEAERO C[NH2+][C@H]1c2ccccc2CC[C@H]1SCCS(C)(=O)=O ZINC000081768875 177856235 /nfs/dbraw/zinc/85/62/35/177856235.db2.gz KQLBMWIYSBVZMS-KGLIPLIRSA-N 1 0 299.461 2.040 10 0 CEAERO CCc1ccc(OC[C@H](O)C[NH2+][C@H](C)CCOC)cc1 ZINC000081712154 177843154 /nfs/dbraw/zinc/84/31/54/177843154.db2.gz YRQIIXJTCYHQQI-UKRRQHHQSA-N 1 0 281.396 2.003 10 0 CEAERO CCOCCC[NH2+]CCOc1cncc(Cl)c1 ZINC000081702956 177840975 /nfs/dbraw/zinc/84/09/75/177840975.db2.gz RPLVKTWHHHRUJC-UHFFFAOYSA-N 1 0 258.749 2.130 10 0 CEAERO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)n1ccnc1 ZINC000081557995 177819181 /nfs/dbraw/zinc/81/91/81/177819181.db2.gz QTZLVYYGDQXHHE-OAHLLOKOSA-N 1 0 284.363 2.105 10 0 CEAERO C[C@H](CCC1CC1)[NH2+]C[C@H](O)CN1CCCCC1 ZINC000186269865 270249404 /nfs/dbraw/zinc/24/94/04/270249404.db2.gz GOZRDEUDFMQGML-HIFRSBDPSA-N 1 0 254.418 2.002 10 0 CEAERO Cc1nc(CN(C)C(=O)[C@]2([NH3+])CCC[C@@H](C)C2)cs1 ZINC000080929466 177732167 /nfs/dbraw/zinc/73/21/67/177732167.db2.gz AFBBRVYGZNDSOM-YGRLFVJLSA-N 1 0 281.425 2.318 10 0 CEAERO Cc1ccccc1NC(=O)COCC1([NH3+])CCCC1 ZINC000080837765 177714152 /nfs/dbraw/zinc/71/41/52/177714152.db2.gz HGHQSQJPMYXLMS-UHFFFAOYSA-N 1 0 262.353 2.222 10 0 CEAERO CC[C@H]1CN(c2nc([C@@H](C)[NH2+]C)cs2)CCO1 ZINC000080804815 177710008 /nfs/dbraw/zinc/71/00/08/177710008.db2.gz QUQOQGRSEOURMC-ZJUUUORDSA-N 1 0 255.387 2.039 10 0 CEAERO CCOC(=O)C[C@@]1([NH+]2CCCCC2)CCSC1 ZINC000080691852 177692621 /nfs/dbraw/zinc/69/26/21/177692621.db2.gz CTEQANIVTNNYGI-ZDUSSCGKSA-N 1 0 257.399 2.301 10 0 CEAERO CC[C@H]([NH3+])Cc1c(C)nn(C)c1N(CC1CC1)C1CC1 ZINC000080383467 177648814 /nfs/dbraw/zinc/64/88/14/177648814.db2.gz VDZUOIFZVQAZQS-ZDUSSCGKSA-N 1 0 276.428 2.387 10 0 CEAERO CCOc1cc2c(cc1C[NH2+]CC1(CO)CC1)O[C@H](C)C2 ZINC000080247219 177631663 /nfs/dbraw/zinc/63/16/63/177631663.db2.gz NUOWWMBNZJUXHU-GFCCVEGCSA-N 1 0 291.391 2.271 10 0 CEAERO COc1ccc([C@@H](C)[NH2+]CC(C)(C)S(C)(=O)=O)cc1 ZINC000093523351 184687354 /nfs/dbraw/zinc/68/73/54/184687354.db2.gz UOPCVZJMDIIFPW-LLVKDONJSA-N 1 0 285.409 2.169 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1CCn1cc(C(F)(F)F)ccc1=O ZINC000093557540 184691070 /nfs/dbraw/zinc/69/10/70/184691070.db2.gz UOUIYTQHNJGZEX-KOLCDFICSA-N 1 0 274.286 2.385 10 0 CEAERO OC[C@]1([NH2+]C2CC2)CCC[C@@H]1CCn1cc(Cl)cn1 ZINC000093618844 184696719 /nfs/dbraw/zinc/69/67/19/184696719.db2.gz GWWSCIOITSGDNR-BXUZGUMPSA-N 1 0 283.803 2.210 10 0 CEAERO C[NH2+][C@H]1CCC[C@H]1CCS(=O)(=O)c1ccc(F)cc1 ZINC000093622858 184697692 /nfs/dbraw/zinc/69/76/92/184697692.db2.gz KNPHOGIMFWEWCA-FZMZJTMJSA-N 1 0 285.384 2.378 10 0 CEAERO C[C@@H]1CCC[C@H](S(=O)(=O)CC[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000093623811 184697889 /nfs/dbraw/zinc/69/78/89/184697889.db2.gz SGCXMQHWOJFOFO-RFGFWPKPSA-N 1 0 273.442 2.497 10 0 CEAERO CCCCCOCC[C@H]1CCC[C@]1([NH2+]CC)C(N)=O ZINC000093625396 184698353 /nfs/dbraw/zinc/69/83/53/184698353.db2.gz HHBXKOVBKWENMX-UKRRQHHQSA-N 1 0 270.417 2.217 10 0 CEAERO Cc1c([C@H](C[NH3+])Nc2ccccc2Cl)cnn1C ZINC000093650929 184702330 /nfs/dbraw/zinc/70/23/30/184702330.db2.gz IXYBJTHRXRHGDN-ZDUSSCGKSA-N 1 0 264.760 2.494 10 0 CEAERO Cc1c([C@@H](C[NH3+])Nc2cccc(Cl)c2)cnn1C ZINC000093650914 184702944 /nfs/dbraw/zinc/70/29/44/184702944.db2.gz DRAZSAULTCNAGT-CYBMUJFWSA-N 1 0 264.760 2.494 10 0 CEAERO CCC[NH2+]CC(C)(C)COc1ccc(S(C)(=O)=O)cc1 ZINC000093727289 184709733 /nfs/dbraw/zinc/70/97/33/184709733.db2.gz OILMBQOICMWPRY-UHFFFAOYSA-N 1 0 299.436 2.495 10 0 CEAERO CC(C)(C[NH2+]C1CC1)COc1ccc(S(C)(=O)=O)cc1 ZINC000093727294 184709818 /nfs/dbraw/zinc/70/98/18/184709818.db2.gz DMVGIHCTNVACAS-UHFFFAOYSA-N 1 0 297.420 2.247 10 0 CEAERO COC(=O)[C@]1(NC(C)C)CCC[C@@H]([N@H+](C)C(C)C)C1 ZINC000093749001 184712697 /nfs/dbraw/zinc/71/26/97/184712697.db2.gz CEMJPZFTJDYUTM-HIFRSBDPSA-N 1 0 270.417 2.179 10 0 CEAERO C[NH2+][C@@]1(CO)CCC[C@@H](n2ncc3ccccc32)C1 ZINC000093783960 184721760 /nfs/dbraw/zinc/72/17/60/184721760.db2.gz IGRKEJUOPAIVET-HIFRSBDPSA-N 1 0 259.353 2.102 10 0 CEAERO C[NH2+][C@]1(CO)CCC[C@@H](Sc2nc(C)cs2)C1 ZINC000093786745 184722197 /nfs/dbraw/zinc/72/21/97/184722197.db2.gz CPJLRJMJNUAFPN-ZYHUDNBSSA-N 1 0 272.439 2.437 10 0 CEAERO CC(C)[NH2+][C@]1(CO)CCC[C@H](Sc2nccn2C)C1 ZINC000093787289 184722537 /nfs/dbraw/zinc/72/25/37/184722537.db2.gz CINHHUGGWCELDV-GXTWGEPZSA-N 1 0 283.441 2.184 10 0 CEAERO CCNc1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)ccn1 ZINC000094465230 184805416 /nfs/dbraw/zinc/80/54/16/184805416.db2.gz HLRSYIQHHNTNBD-ZFWWWQNUSA-N 1 0 274.412 2.182 10 0 CEAERO CC[NH2+][C@H](Cc1ccccc1F)[C@H]1CN(CC)CCO1 ZINC000093914800 184741722 /nfs/dbraw/zinc/74/17/22/184741722.db2.gz ZOCPBDCVVBFGGT-HZPDHXFCSA-N 1 0 280.387 2.067 10 0 CEAERO CC[NH2+][C@@H](Cc1ccccc1C)[C@H]1CN(CC)CCO1 ZINC000093914895 184742370 /nfs/dbraw/zinc/74/23/70/184742370.db2.gz GSBGEPMRYVASDM-DLBZAZTESA-N 1 0 276.424 2.236 10 0 CEAERO C[NH2+][C@H](c1cccc(F)c1F)[C@@H]1CN(C(C)C)CCO1 ZINC000093927117 184744590 /nfs/dbraw/zinc/74/45/90/184744590.db2.gz ISWWBLTYYFFFAT-DZGCQCFKSA-N 1 0 284.350 2.335 10 0 CEAERO Cc1cccc([C@H]([NH3+])[C@H]2CN(C(C)C)CCO2)c1C ZINC000093926071 184744756 /nfs/dbraw/zinc/74/47/56/184744756.db2.gz QXEABPCRWNNVBD-CVEARBPZSA-N 1 0 262.397 2.412 10 0 CEAERO CC(C)(C)SCC(=O)NC1C(C)(C)C([NH3+])C1(C)C ZINC000094006079 184749192 /nfs/dbraw/zinc/74/91/92/184749192.db2.gz YVCYJNJZWQLYDL-UHFFFAOYSA-N 1 0 272.458 2.396 10 0 CEAERO CN(CC1CC[NH2+]CC1)C(=O)c1cc(F)ccc1F ZINC000094022115 184750332 /nfs/dbraw/zinc/75/03/32/184750332.db2.gz HWJLBQQUHKZEPH-UHFFFAOYSA-N 1 0 268.307 2.036 10 0 CEAERO COc1cccc(NC(=O)N(C)CC2CC[NH2+]CC2)c1 ZINC000094023559 184751402 /nfs/dbraw/zinc/75/14/02/184751402.db2.gz BFVPMQJITPTBAD-UHFFFAOYSA-N 1 0 277.368 2.159 10 0 CEAERO Cc1cc(NC(=O)C[C@H]2CCC[NH2+]2)ncc1Br ZINC000094063535 184752982 /nfs/dbraw/zinc/75/29/82/184752982.db2.gz DGLLJRLQVUFENL-SECBINFHSA-N 1 0 298.184 2.233 10 0 CEAERO CN(C)C[C@@H]1CCC[N@@H+]1[C@@H]1CCc2cc(N)ccc21 ZINC000094090777 184754348 /nfs/dbraw/zinc/75/43/48/184754348.db2.gz CJRNYEATMWYJCE-GOEBONIOSA-N 1 0 259.397 2.282 10 0 CEAERO CCCn1c(C[C@@H](O)C[NH2+]C2CC2)nc2ccccc21 ZINC000094173231 184759256 /nfs/dbraw/zinc/75/92/56/184759256.db2.gz MDLCCHJNWJGPSJ-CYBMUJFWSA-N 1 0 273.380 2.102 10 0 CEAERO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(F)c(F)c1F ZINC000094183924 184760112 /nfs/dbraw/zinc/76/01/12/184760112.db2.gz RZUKDISTNNXGID-IVZWLZJFSA-N 1 0 298.308 2.222 10 0 CEAERO Cc1ccccc1CCNC(=O)CC[C@@H](C)CC[NH3+] ZINC000094183667 184760259 /nfs/dbraw/zinc/76/02/59/184760259.db2.gz NQNVOOJHWAEKFX-CYBMUJFWSA-N 1 0 262.397 2.419 10 0 CEAERO CC[NH2+]Cc1ccc(OCc2cc(C)nn2CC)cn1 ZINC000094209326 184763110 /nfs/dbraw/zinc/76/31/10/184763110.db2.gz FYSKTFJQCHFDOO-UHFFFAOYSA-N 1 0 274.368 2.295 10 0 CEAERO C[NH2+][C@@H]1[C@@H](S(=O)(=O)CC(C)C)CCCC1(C)C ZINC000094281560 184775015 /nfs/dbraw/zinc/77/50/15/184775015.db2.gz FHRXQMXNNRTSLL-NWDGAFQWSA-N 1 0 261.431 2.224 10 0 CEAERO C[C@]1([NH2+][C@@H]2CCCCC2(C)C)CCS(=O)(=O)C1 ZINC000094276204 184775297 /nfs/dbraw/zinc/77/52/97/184775297.db2.gz IHXFGPGVVLTZEO-YPMHNXCESA-N 1 0 259.415 2.122 10 0 CEAERO CCOC(=O)C[C@](C)([NH3+])CCc1ccc(OC)cc1 ZINC000094290121 184777054 /nfs/dbraw/zinc/77/70/54/184777054.db2.gz XBKAOTXYOBWJRY-OAHLLOKOSA-N 1 0 265.353 2.298 10 0 CEAERO CCOC(=O)c1cccc(NC(=O)CC2([NH3+])CCC2)c1 ZINC000094295121 184777800 /nfs/dbraw/zinc/77/78/00/184777800.db2.gz KVXWIBGTROPSQN-UHFFFAOYSA-N 1 0 276.336 2.073 10 0 CEAERO CCC[NH2+][C@H]1[C@@H](Sc2nncn2C)CCC1(C)C ZINC000094312979 184779672 /nfs/dbraw/zinc/77/96/72/184779672.db2.gz WJGVMECKFZGTIG-QWRGUYRKSA-N 1 0 268.430 2.464 10 0 CEAERO Cc1nn(C)c(C[C@]2(C[NH3+])CCCC(C)(C)[C@H]2O)c1Cl ZINC000094320736 184780117 /nfs/dbraw/zinc/78/01/17/184780117.db2.gz PIPFZJVSNGLIQF-HIFRSBDPSA-N 1 0 299.846 2.441 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)c1nc2cc(N)ccc2o1 ZINC000094352659 184787227 /nfs/dbraw/zinc/78/72/27/184787227.db2.gz PBZGNABFTUBXFJ-GFCCVEGCSA-N 1 0 274.368 2.331 10 0 CEAERO CC(C)(C[NH3+])O[C@H]1CCOC2(CCSCC2)C1 ZINC000094361829 184789007 /nfs/dbraw/zinc/78/90/07/184789007.db2.gz VTJWGVZUXCGFLR-NSHDSACASA-N 1 0 259.415 2.185 10 0 CEAERO CC(C)C[C@@H](CO)[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000094369132 184790480 /nfs/dbraw/zinc/79/04/80/184790480.db2.gz MNYJZAXGACQITO-KBPBESRZSA-N 1 0 287.469 2.428 10 0 CEAERO CCC[NH2+][C@H]([C@@H]1CCOC2(CCC2)C1)[C@@H]1CN(C)CCO1 ZINC000094407370 184794132 /nfs/dbraw/zinc/79/41/32/184794132.db2.gz DKEWGFJOWCBRIC-OWCLPIDISA-N 1 0 296.455 2.035 10 0 CEAERO CCOC(=O)C[N@H+](C1CC1)[C@@H]1CCOC2(CCC2)C1 ZINC000094410608 184794755 /nfs/dbraw/zinc/79/47/55/184794755.db2.gz PAMFVOKULNWWCC-CYBMUJFWSA-N 1 0 267.369 2.116 10 0 CEAERO CCCCCCN(CCO)C(=O)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000094751698 184852737 /nfs/dbraw/zinc/85/27/37/184852737.db2.gz CPBQBPZVQIYHFI-GJZGRUSLSA-N 1 0 284.444 2.295 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@H]1C(=O)NCc1ccsc1 ZINC000094753754 184852879 /nfs/dbraw/zinc/85/28/79/184852879.db2.gz VRFUNLZCSSEVEU-VXGBXAGGSA-N 1 0 252.383 2.272 10 0 CEAERO CN(Cc1cscn1)C(=O)[C@@H]1CCCCC[C@H]1[NH3+] ZINC000094753016 184852921 /nfs/dbraw/zinc/85/29/21/184852921.db2.gz JWUJNPQFFBDFQX-VXGBXAGGSA-N 1 0 267.398 2.009 10 0 CEAERO Cc1occc1CN(C)C(=O)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000094752811 184853031 /nfs/dbraw/zinc/85/30/31/184853031.db2.gz IYFHVCVBPRDXOU-KBPBESRZSA-N 1 0 264.369 2.454 10 0 CEAERO [NH3+][C@H]1CCCCC[C@H]1C(=O)NCc1ccsc1 ZINC000094753752 184853351 /nfs/dbraw/zinc/85/33/51/184853351.db2.gz VRFUNLZCSSEVEU-NEPJUHHUSA-N 1 0 252.383 2.272 10 0 CEAERO COc1ccc(C[C@H]([NH3+])[C@]2(C)CCCO2)cc1F ZINC000094782556 184862652 /nfs/dbraw/zinc/86/26/52/184862652.db2.gz QZWIZFWNKXIQLP-KBPBESRZSA-N 1 0 253.317 2.273 10 0 CEAERO CCC[NH2+][C@H](Cc1ncnn1CC(C)C)[C@@]1(C)CCCO1 ZINC000094784639 184862775 /nfs/dbraw/zinc/86/27/75/184862775.db2.gz GHENXCZXECMELK-GDBMZVCRSA-N 1 0 294.443 2.414 10 0 CEAERO CC(C)[C@H](C[NH3+])c1nc([C@@H]2CSCCS2)no1 ZINC000094495876 184810268 /nfs/dbraw/zinc/81/02/68/184810268.db2.gz HTYAOUPZUDCSNM-IUCAKERBSA-N 1 0 273.427 2.289 10 0 CEAERO C[NH2+]C[C@H](C)Cc1c(C)nc([C@@H]2CSCCO2)nc1C ZINC000094505517 184812404 /nfs/dbraw/zinc/81/24/04/184812404.db2.gz HPULGWVCWUKFSG-YGRLFVJLSA-N 1 0 295.452 2.296 10 0 CEAERO C[NH2+][C@@H](Cc1nc([C@@H]2CSCCO2)no1)C(C)(C)C ZINC000094505702 184812417 /nfs/dbraw/zinc/81/24/17/184812417.db2.gz CGUMWIXGFZKYJG-UWVGGRQHSA-N 1 0 285.413 2.051 10 0 CEAERO CC[NH+](CC)[C@@H]1CCN(Cc2nc3ccc(N)cc3o2)C1 ZINC000094542593 184815343 /nfs/dbraw/zinc/81/53/43/184815343.db2.gz YCOZYRNIZONUTK-CYBMUJFWSA-N 1 0 288.395 2.326 10 0 CEAERO C[C@H]1C[C@@H]([NH3+])CN(Cc2ncc(C(C)(C)C)o2)C1 ZINC000094552874 184816925 /nfs/dbraw/zinc/81/69/25/184816925.db2.gz DYNDXCUUCKXTJE-WDEREUQCSA-N 1 0 251.374 2.141 10 0 CEAERO C[C@@H]1C[C@H]([NH3+])CN(Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000094552443 184817198 /nfs/dbraw/zinc/81/71/98/184817198.db2.gz NXNQUACEANMCQK-KOLCDFICSA-N 1 0 282.771 2.238 10 0 CEAERO CCc1ccc(O)c(NC(=O)C[C@H]2CCC[NH2+]C2)c1 ZINC000094575159 184821752 /nfs/dbraw/zinc/82/17/52/184821752.db2.gz SMXGWAMXGJJXBN-GFCCVEGCSA-N 1 0 262.353 2.283 10 0 CEAERO CCC[NH2+]Cc1ccc(OC)c(O[C@@H](C)[C@H](C)O)c1 ZINC000094652789 184835178 /nfs/dbraw/zinc/83/51/78/184835178.db2.gz KGTSHDDOXSSMBV-RYUDHWBXSA-N 1 0 267.369 2.343 10 0 CEAERO Cc1ccc(OC[C@@H](C)NC(=O)[C@@H](C[NH3+])CC(C)C)cc1 ZINC000094699349 184842564 /nfs/dbraw/zinc/84/25/64/184842564.db2.gz VVYYUBYKANNESZ-HUUCEWRRSA-N 1 0 292.423 2.500 10 0 CEAERO CC(C)C[C@@H](C[NH3+])C(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000094698801 184842725 /nfs/dbraw/zinc/84/27/25/184842725.db2.gz NXHKQZQNCHOKJO-HOTGVXAUSA-N 1 0 290.407 2.208 10 0 CEAERO C[NH2+][C@H](C)[C@H](C)c1nc(-c2ccc(Cl)cn2)no1 ZINC000094845607 184879106 /nfs/dbraw/zinc/87/91/06/184879106.db2.gz OYGQCPGXWDSJAE-JGVFFNPUSA-N 1 0 266.732 2.496 10 0 CEAERO CN(CC[C@H]1CCCC[NH2+]1)C(=O)Cc1cccc(F)c1F ZINC000094712154 184845510 /nfs/dbraw/zinc/84/55/10/184845510.db2.gz FRBLOOQYSDABHN-CYBMUJFWSA-N 1 0 296.361 2.498 10 0 CEAERO CCCCCC(C)(C)C[NH2+][C@@H](C)C(=O)N1CCOCC1 ZINC000094983064 184910297 /nfs/dbraw/zinc/91/02/97/184910297.db2.gz YHTFREDMARFABR-AWEZNQCLSA-N 1 0 284.444 2.430 10 0 CEAERO C[C@@H]1CC[NH2+][C@@H](C2CC2)CN1Cc1nccs1 ZINC000094980704 184910411 /nfs/dbraw/zinc/91/04/11/184910411.db2.gz COQFMARVXAWNLB-ZYHUDNBSSA-N 1 0 251.399 2.106 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@@H](C)CN1Cc1cccnc1OC ZINC000095011300 184915232 /nfs/dbraw/zinc/91/52/32/184915232.db2.gz HIYULUYDIPRCQG-WFASDCNBSA-N 1 0 263.385 2.053 10 0 CEAERO [NH3+]CC[C@@H]1CN(C(=O)C[C@@H]2CCCCO2)c2ccccc21 ZINC000095032424 184919227 /nfs/dbraw/zinc/91/92/27/184919227.db2.gz CLOYEQSTUNGPGS-KGLIPLIRSA-N 1 0 288.391 2.425 10 0 CEAERO CN(C(=O)Cc1c(F)cccc1F)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000095047063 184924177 /nfs/dbraw/zinc/92/41/77/184924177.db2.gz YUIDUSWQRJNTBR-ABAIWWIYSA-N 1 0 296.361 2.483 10 0 CEAERO [NH3+]C[C@@H]1CCN(c2nc3ccccc3nc2Cl)C1 ZINC000095072670 184933629 /nfs/dbraw/zinc/93/36/29/184933629.db2.gz GWCOPXQXTXUPBK-VIFPVBQESA-N 1 0 262.744 2.068 10 0 CEAERO [NH3+][C@H](CNc1ncnc2c1CCCC2)c1ccccc1 ZINC000094872467 184885260 /nfs/dbraw/zinc/88/52/60/184885260.db2.gz GWXCZYWAIBAEGD-CQSZACIVSA-N 1 0 268.364 2.467 10 0 CEAERO Cc1ccsc1CNC(=O)c1ccc(C[NH3+])cc1 ZINC000094876499 184885283 /nfs/dbraw/zinc/88/52/83/184885283.db2.gz YZFMTOPHUKVTPW-UHFFFAOYSA-N 1 0 260.362 2.445 10 0 CEAERO C[NH2+]C1CCC(Nc2ncnc3c2CCCC3)CC1 ZINC000094872624 184885347 /nfs/dbraw/zinc/88/53/47/184885347.db2.gz PCPPLRIYHHFSMD-UHFFFAOYSA-N 1 0 260.385 2.298 10 0 CEAERO c1nc2c(c(OCC[C@@H]3CCC[NH2+]C3)n1)CCCC2 ZINC000094872808 184885626 /nfs/dbraw/zinc/88/56/26/184885626.db2.gz KOXXLYFOWGSSSW-LBPRGKRZSA-N 1 0 261.369 2.124 10 0 CEAERO CCc1ccsc1CNC(=O)[C@@H](C[NH3+])C(C)C ZINC000094877096 184886259 /nfs/dbraw/zinc/88/62/59/184886259.db2.gz AMTBCMTVCQREED-NSHDSACASA-N 1 0 254.399 2.158 10 0 CEAERO c1nc2c(c(NCC3CC[NH2+]CC3)n1)CCCCC2 ZINC000094888085 184888187 /nfs/dbraw/zinc/88/81/87/184888187.db2.gz DBCWEPZXOVMBDE-UHFFFAOYSA-N 1 0 260.385 2.157 10 0 CEAERO CCC[C@@H](C[NH3+])N1CCN(C(=O)C2(CC)CCCC2)CC1 ZINC000094897434 184888996 /nfs/dbraw/zinc/88/89/96/184888996.db2.gz DEFRJSOTQXIBOZ-HNNXBMFYSA-N 1 0 295.471 2.228 10 0 CEAERO Cc1cccc(CN(C)[C@H](CC[NH3+])C(F)(F)F)n1 ZINC000094911551 184891490 /nfs/dbraw/zinc/89/14/90/184891490.db2.gz WVDFOUBUKNMGPJ-LLVKDONJSA-N 1 0 261.291 2.102 10 0 CEAERO Cc1cccc(CN(C)[C@]2(C[NH3+])CS[C@@H](C)C2)n1 ZINC000094912454 184891928 /nfs/dbraw/zinc/89/19/28/184891928.db2.gz LWKXNXIKQJUSLI-GXTWGEPZSA-N 1 0 265.426 2.045 10 0 CEAERO COC(=O)C(C)(C)C[NH2+]CCc1ccc(F)cc1C ZINC000094954639 184902535 /nfs/dbraw/zinc/90/25/35/184902535.db2.gz GTECRUXLTORWDW-UHFFFAOYSA-N 1 0 267.344 2.465 10 0 CEAERO CCOc1ccc(C(=O)NC[C@@H](CC)CC[NH3+])cc1 ZINC000094961869 184906551 /nfs/dbraw/zinc/90/65/51/184906551.db2.gz GSFYJZMBVRFXLT-LBPRGKRZSA-N 1 0 264.369 2.190 10 0 CEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1CCSc2ccccc21 ZINC000282507663 195630127 /nfs/dbraw/zinc/63/01/27/195630127.db2.gz YPNXEUGDBJVSJM-UHTWSYAYSA-N 1 0 276.405 2.480 10 0 CEAERO C[C@@H](Nc1ccc(Cn2cccn2)cc1)[C@H]1CC[NH2+]C1 ZINC000400425981 533553949 /nfs/dbraw/zinc/55/39/49/533553949.db2.gz YJZDMDUHICBWOE-HIFRSBDPSA-N 1 0 270.380 2.341 10 0 CEAERO FC(F)(F)c1ccc2c(c1)N1CC[NH2+]C[C@@H]1CC2 ZINC000005162056 134654670 /nfs/dbraw/zinc/65/46/70/134654670.db2.gz SLJVNPOUWPQHPM-NSHDSACASA-N 1 0 256.271 2.430 10 0 CEAERO C[C@H]([NH3+])[C@H](N1CC(=O)Nc2ccccc21)C(C)(C)C ZINC000043291989 134899025 /nfs/dbraw/zinc/89/90/25/134899025.db2.gz ITJHBKXGBFMERZ-HZMBPMFUSA-N 1 0 261.369 2.207 10 0 CEAERO CC[C@H]1CCCN(c2nc3c(cc2C(N)=[NH2+])CCC3)C1 ZINC000043406592 134901339 /nfs/dbraw/zinc/90/13/39/134901339.db2.gz VCNUAUXVTNDRQB-NSHDSACASA-N 1 0 272.396 2.481 10 0 CEAERO CCCCNC(=O)CN1CC[C@H]([NH2+]CC)c2ccccc21 ZINC000071377879 134965121 /nfs/dbraw/zinc/96/51/21/134965121.db2.gz UBVHOJBIPDFVCX-HNNXBMFYSA-N 1 0 289.423 2.464 10 0 CEAERO COc1cc(N2CC[NH2+]C[C@@H]2C(C)C)ccc1F ZINC000083393392 135018213 /nfs/dbraw/zinc/01/82/13/135018213.db2.gz SBKSXGQDFDEPLR-CYBMUJFWSA-N 1 0 252.333 2.269 10 0 CEAERO CC[C@H]([NH2+]C1CCN(c2ncccn2)CC1)C1CC1 ZINC000086116608 135038620 /nfs/dbraw/zinc/03/86/20/135038620.db2.gz CVLKTTIUOFXZSQ-AWEZNQCLSA-N 1 0 260.385 2.224 10 0 CEAERO C[C@H]1C[NH2+][C@@H](Cc2ccccc2)CN1c1cccnc1 ZINC000086151473 135039435 /nfs/dbraw/zinc/03/94/35/135039435.db2.gz NJVYOBVIKBVUQU-HOCLYGCPSA-N 1 0 267.376 2.491 10 0 CEAERO C[C@H]1C[C@H]([NH3+])CN(c2ccc(Br)cn2)C1 ZINC000087042890 135049279 /nfs/dbraw/zinc/04/92/79/135049279.db2.gz ZTICGXVOHMSWAT-WPRPVWTQSA-N 1 0 270.174 2.018 10 0 CEAERO CCC1CCN(c2nc(NN)[nH+]cc2Cl)CC1 ZINC000087864225 135052184 /nfs/dbraw/zinc/05/21/84/135052184.db2.gz CNQYAVYVTJCNAP-UHFFFAOYSA-N 1 0 255.753 2.042 10 0 CEAERO [NH3+]CCC1(CN2c3cc(F)ccc3CCC2=O)CC1 ZINC000088249552 135053449 /nfs/dbraw/zinc/05/34/49/135053449.db2.gz FMGFOVIPZVLNGG-UHFFFAOYSA-N 1 0 262.328 2.234 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C(=O)N2C[C@@H](C)Cc3ccccc32)C1 ZINC000088451194 135054824 /nfs/dbraw/zinc/05/48/24/135054824.db2.gz JNISRXRMUMMFHR-YDHLFZDLSA-N 1 0 272.392 2.457 10 0 CEAERO NC(=[NH2+])c1cccc(N2CCC(C(F)(F)F)CC2)n1 ZINC000088421443 135054933 /nfs/dbraw/zinc/05/49/33/135054933.db2.gz YBCGETBXAAWWJV-UHFFFAOYSA-N 1 0 272.274 2.144 10 0 CEAERO CC(C)Cn1ncnc1CN1CC[C@H]([NH3+])c2ccccc21 ZINC000088584869 135055474 /nfs/dbraw/zinc/05/54/74/135055474.db2.gz PTYZGIPWULGNIQ-AWEZNQCLSA-N 1 0 285.395 2.344 10 0 CEAERO CCc1cc(N2CCCC[C@H]2[C@@H](C)[NH2+]C)nc(C)n1 ZINC000088759729 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CCC[C@H](C(=O)NCc1ccc(F)c(COC)c1)[NH+](C)C ZINC000179240629 395187071 /nfs/dbraw/zinc/18/70/71/395187071.db2.gz APAFCBSEFUHXHP-OAHLLOKOSA-N 1 0 296.386 2.319 10 0 CEAERO CO[C@H](C[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O)C1CC1 ZINC000400138132 395250752 /nfs/dbraw/zinc/25/07/52/395250752.db2.gz VBGAQDBQTOALHQ-KLHDSHLOSA-N 1 0 267.413 2.427 10 0 CEAERO O[C@@H]1CCCC[C@H]1[C@@H]1CCC[N@@H+]1CCc1cnccn1 ZINC000402900839 395272648 /nfs/dbraw/zinc/27/26/48/395272648.db2.gz HDXRGNJGOWUMQZ-HRCADAONSA-N 1 0 275.396 2.035 10 0 CEAERO C[C@]1(C(=O)NC[C@@H]2CC[C@H]3C[C@H]3C2)CCCC[NH2+]1 ZINC000403251088 395274727 /nfs/dbraw/zinc/27/47/27/395274727.db2.gz HQQUNIUQASYHRM-QVHKTLOISA-N 1 0 250.386 2.071 10 0 CEAERO CCC1(CC)[C@H]([NH2+]Cc2nnnn2C(C)C)[C@H](C)[C@@H]1OC ZINC000191399794 395358275 /nfs/dbraw/zinc/35/82/75/395358275.db2.gz VSVQUZOHDBESQB-YUTCNCBUSA-N 1 0 295.431 2.183 10 0 CEAERO C=Cn1cc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cn1 ZINC000193988841 395420596 /nfs/dbraw/zinc/42/05/96/395420596.db2.gz 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ZINC000191699494 153186998 /nfs/dbraw/zinc/18/69/98/153186998.db2.gz KRKSCLDLOVOLDY-JSGCOSHPSA-N 1 0 251.374 2.322 10 0 CEAERO CC[C@H](C(=O)OC(C)(C)C)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000192108525 153203538 /nfs/dbraw/zinc/20/35/38/153203538.db2.gz ZUXARIZNKXZBGB-ZIAGYGMSSA-N 1 0 282.428 2.277 10 0 CEAERO O=C(COC1CCCCC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195054770 153273494 /nfs/dbraw/zinc/27/34/94/153273494.db2.gz YQGLDNOBFBYSOB-AWEZNQCLSA-N 1 0 280.412 2.032 10 0 CEAERO O=C(c1cc2c(cccc2F)[nH]1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195327887 153281489 /nfs/dbraw/zinc/28/14/89/153281489.db2.gz SUKUVFIQBSCVBT-NSHDSACASA-N 1 0 287.338 2.227 10 0 CEAERO O=C(Cc1ccccc1Cl)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195310389 153282079 /nfs/dbraw/zinc/28/20/79/153282079.db2.gz HCAIRMHCJADTNS-CYBMUJFWSA-N 1 0 278.783 2.189 10 0 CEAERO CCc1ccc(CCC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000195317656 153282652 /nfs/dbraw/zinc/28/26/52/153282652.db2.gz HGDBXOBHNYUHRW-QGZVFWFLSA-N 1 0 286.419 2.488 10 0 CEAERO CC(C)c1nc([C@H]2CCCN2CCn2cccn2)no1 ZINC000195376150 153286307 /nfs/dbraw/zinc/28/63/07/153286307.db2.gz MANNAKDUMCDYSS-GFCCVEGCSA-N 1 0 275.356 2.227 10 0 CEAERO CC(=O)NCCC[N@@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000195338799 153288229 /nfs/dbraw/zinc/28/82/29/153288229.db2.gz NUAZKEFDKUPFSK-CYBMUJFWSA-N 1 0 281.425 2.157 10 0 CEAERO Cn1nccc1C1CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000195513270 153291522 /nfs/dbraw/zinc/29/15/22/153291522.db2.gz XFINIQZNTGUUFA-UHFFFAOYSA-N 1 0 295.390 2.447 10 0 CEAERO Cc1nc(C[C@H]2CCC[N@@H+](CCOC(C)C)C2)no1 ZINC000195517953 153294072 /nfs/dbraw/zinc/29/40/72/153294072.db2.gz QUKHGLHJFJBFGM-CYBMUJFWSA-N 1 0 267.373 2.058 10 0 CEAERO Cc1nc(C)c(C[NH2+][C@@H]2CCCC[C@H]2CO)s1 ZINC000219001337 153300885 /nfs/dbraw/zinc/30/08/85/153300885.db2.gz ZUZZDKOAZLPXGV-NWDGAFQWSA-N 1 0 254.399 2.401 10 0 CEAERO CSC[C@@](C)(O)C[NH2+][C@@H]1CCc2ccccc21 ZINC000223783375 153317805 /nfs/dbraw/zinc/31/78/05/153317805.db2.gz NHMYVMGZGMREBW-KGLIPLIRSA-N 1 0 251.395 2.378 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCCC1CCCC1 ZINC000225618041 153326841 /nfs/dbraw/zinc/32/68/41/153326841.db2.gz GAIFKTFKPONKCS-GXTWGEPZSA-N 1 0 252.402 2.461 10 0 CEAERO C[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000227361319 153345139 /nfs/dbraw/zinc/34/51/39/153345139.db2.gz NJNKXOZYLOKOLR-DJIMGWMZSA-N 1 0 274.408 2.279 10 0 CEAERO CC(C)(C)OC[C@H](O)C[NH2+]C(C)(C)c1nccs1 ZINC000227911723 153355334 /nfs/dbraw/zinc/35/53/34/153355334.db2.gz AMOYPVHGOONRFR-SNVBAGLBSA-N 1 0 272.414 2.144 10 0 CEAERO C[C@H](O)C[C@H](C)[NH2+][C@@H]1CCN(CCc2ccccc2)C1 ZINC000228089961 153359478 /nfs/dbraw/zinc/35/94/78/153359478.db2.gz XWZXKOKINBPOKS-YQQAZPJKSA-N 1 0 276.424 2.052 10 0 CEAERO O[C@@H]1CCC[C@H]1[C@@H]1CCCC[N@@H+]1C1CCOCC1 ZINC000228494153 153365033 /nfs/dbraw/zinc/36/50/33/153365033.db2.gz WBEOITOPEDITDN-SOUVJXGZSA-N 1 0 253.386 2.181 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+][C@@H]2C[C@@H](O)C2(C)C)c1C ZINC000228855475 153367196 /nfs/dbraw/zinc/36/71/96/153367196.db2.gz QJILSPOMNMVZIF-ZWKOPEQDSA-N 1 0 265.401 2.330 10 0 CEAERO CCN(C)c1ccc(C[NH2+][C@H](C)[C@H]2CCCO2)cn1 ZINC000249692876 153708790 /nfs/dbraw/zinc/70/87/90/153708790.db2.gz XNDZIXVYCROGBU-TZMCWYRMSA-N 1 0 263.385 2.195 10 0 CEAERO CCC([NH3+])(CC)CNc1nnc(C(F)F)s1 ZINC000261562552 153759179 /nfs/dbraw/zinc/75/91/79/153759179.db2.gz BJPBJCNYKZOIQL-UHFFFAOYSA-N 1 0 250.318 2.405 10 0 CEAERO CC(C)(C)c1nsc(N2CC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000261581946 153773691 /nfs/dbraw/zinc/77/36/91/153773691.db2.gz QYDVWDQWZRMMTL-CYBMUJFWSA-N 1 0 266.414 2.025 10 0 CEAERO C[NH2+][C@H](C)Cc1noc(/C=C/c2cnc3ccccc3n2)n1 ZINC000261752986 153829425 /nfs/dbraw/zinc/82/94/25/153829425.db2.gz LXCMCKQPQKNFNQ-WSKFYRRCSA-N 1 0 295.346 2.334 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000261802392 153843474 /nfs/dbraw/zinc/84/34/74/153843474.db2.gz RYQAJXMVNNJUEV-WQAKAFBOSA-N 1 0 266.772 2.168 10 0 CEAERO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)CCc1ccnc2ccccc12 ZINC000261868237 153861606 /nfs/dbraw/zinc/86/16/06/153861606.db2.gz SACJFIROYLQWIG-KBPBESRZSA-N 1 0 297.402 2.363 10 0 CEAERO [NH3+][C@@H](CNC(=O)CCc1ccnc2ccccc12)C1CC1 ZINC000261882267 153864897 /nfs/dbraw/zinc/86/48/97/153864897.db2.gz ANFHOFGKFXNTGT-HNNXBMFYSA-N 1 0 283.375 2.021 10 0 CEAERO COc1ccc(C)cc1CCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261883689 153865511 /nfs/dbraw/zinc/86/55/11/153865511.db2.gz ZKPFQCVELXQIPY-HUUCEWRRSA-N 1 0 290.407 2.037 10 0 CEAERO CC1(C)CN(C(=O)CCC(=O)c2cccs2)CC[C@@H]1[NH3+] ZINC000261989587 153888847 /nfs/dbraw/zinc/88/88/47/153888847.db2.gz MSRYUVYVLYHKNE-ZDUSSCGKSA-N 1 0 294.420 2.297 10 0 CEAERO CC1(C)CN(C(=O)c2cnn(-c3ccccc3)c2)CC[C@H]1[NH3+] ZINC000262566897 153961126 /nfs/dbraw/zinc/96/11/26/153961126.db2.gz WWZOLGVOGXPXLD-OAHLLOKOSA-N 1 0 298.390 2.072 10 0 CEAERO CSc1ccc(F)cc1CNC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000262567873 153962423 /nfs/dbraw/zinc/96/24/23/153962423.db2.gz RZRPDZVUEOBXOK-VIFPVBQESA-N 1 0 282.384 2.019 10 0 CEAERO O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCO[C@H]2CCCC[C@H]21 ZINC000252446271 304388678 /nfs/dbraw/zinc/38/86/78/304388678.db2.gz QDZSRPGYUGSVDX-GVRJEKJASA-N 1 0 292.423 2.077 10 0 CEAERO Cc1cc(-c2nc([C@@H]3C[NH2+]CCN3C)no2)ccc1Cl ZINC000263162388 154027540 /nfs/dbraw/zinc/02/75/40/154027540.db2.gz DXPHXKGULBYJAK-LBPRGKRZSA-N 1 0 292.770 2.275 10 0 CEAERO CCC[C@@H](CCc1ccccc1)NC(=O)C1C[NH2+]C1 ZINC000263271894 154044783 /nfs/dbraw/zinc/04/47/83/154044783.db2.gz IGEYTUQBJHMDGH-HNNXBMFYSA-N 1 0 260.381 2.124 10 0 CEAERO Cc1c2ccccc2oc1[C@@H](C)NC(=O)C1C[NH2+]C1 ZINC000263311272 154054601 /nfs/dbraw/zinc/05/46/01/154054601.db2.gz PHRQZPTUGYFYBL-SNVBAGLBSA-N 1 0 258.321 2.138 10 0 CEAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2sccc2C2CC2)n1 ZINC000263317861 154054696 /nfs/dbraw/zinc/05/46/96/154054696.db2.gz ZSTVAOVEOOWXKK-LLVKDONJSA-N 1 0 290.392 2.252 10 0 CEAERO CCCCOC[C@H](O)C[NH+]1CCC(C2CC2)CC1 ZINC000368334450 156322175 /nfs/dbraw/zinc/32/21/75/156322175.db2.gz HLNYWMIQJCKUAP-OAHLLOKOSA-N 1 0 255.402 2.286 10 0 CEAERO FC(F)(F)c1ccc(NCC[C@H]2CCC[NH2+]2)nn1 ZINC000166909687 162354141 /nfs/dbraw/zinc/35/41/41/162354141.db2.gz OZZZGAJEWRNORP-MRVPVSSYSA-N 1 0 260.263 2.049 10 0 CEAERO CO[C@H]1CCN(C(=O)C2CCCCCCC2)[C@H](C[NH3+])C1 ZINC000167278099 162356699 /nfs/dbraw/zinc/35/66/99/162356699.db2.gz NCBDPHKQVUFNPD-GJZGRUSLSA-N 1 0 282.428 2.312 10 0 CEAERO FC(F)(F)c1ccc(NCC[C@H]2CCC[NH2+]C2)nn1 ZINC000167115193 162358239 /nfs/dbraw/zinc/35/82/39/162358239.db2.gz TYCOPMNJWRWIRJ-SECBINFHSA-N 1 0 274.290 2.297 10 0 CEAERO COc1cc(C)ccc1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171891341 165050864 /nfs/dbraw/zinc/05/08/64/165050864.db2.gz FFXKWIPRTWXGLZ-CYBMUJFWSA-N 1 0 289.379 2.316 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)CNc2c(C)cccc2C)C1 ZINC000173562939 165074023 /nfs/dbraw/zinc/07/40/23/165074023.db2.gz DOWIYEHKGLHLPO-OAHLLOKOSA-N 1 0 289.423 2.316 10 0 CEAERO C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173940254 165092517 /nfs/dbraw/zinc/09/25/17/165092517.db2.gz QYNNFFSGPCFEII-CJNGLKHVSA-N 1 0 278.371 2.293 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)C(C)C ZINC000177321996 165196203 /nfs/dbraw/zinc/19/62/03/165196203.db2.gz URLBPMKDIWDQAJ-QWHCGFSZSA-N 1 0 255.406 2.157 10 0 CEAERO C[C@@H](COCc1ccccc1)NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000178158005 165222490 /nfs/dbraw/zinc/22/24/90/165222490.db2.gz BIYWNHWDPFYHDP-WMLDXEAASA-N 1 0 298.386 2.408 10 0 CEAERO COCCCC[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000178288035 165231543 /nfs/dbraw/zinc/23/15/43/165231543.db2.gz JUCPNVFMAYKWLB-AWEZNQCLSA-N 1 0 251.374 2.083 10 0 CEAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCOCC(F)(F)F ZINC000178330335 165232977 /nfs/dbraw/zinc/23/29/77/165232977.db2.gz UVHRQKPMIOSVGS-GFCCVEGCSA-N 1 0 291.317 2.235 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ncc(C)s1 ZINC000180527600 165311865 /nfs/dbraw/zinc/31/18/65/165311865.db2.gz QMHUOWQXSWYYHS-GFCCVEGCSA-N 1 0 253.415 2.368 10 0 CEAERO CCn1cc([C@H](C)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cn1 ZINC000181285338 165336507 /nfs/dbraw/zinc/33/65/07/165336507.db2.gz XTBRHZHDHLWXGX-YDHLFZDLSA-N 1 0 264.417 2.282 10 0 CEAERO CO[C@H](C)C[N@@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000182147686 165364797 /nfs/dbraw/zinc/36/47/97/165364797.db2.gz PAWUQLSOVDGCIP-MFKMUULPSA-N 1 0 251.374 2.209 10 0 CEAERO O[C@@H](CNc1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000006512554 170208544 /nfs/dbraw/zinc/20/85/44/170208544.db2.gz QQMAANKESJRFDW-ZDUSSCGKSA-N 1 0 254.761 2.209 10 0 CEAERO CC(=O)NCC[NH2+]C1c2ccccc2-c2ccccc21 ZINC000007267824 170275276 /nfs/dbraw/zinc/27/52/76/170275276.db2.gz JTCSCUJWLOAISH-UHFFFAOYSA-N 1 0 266.344 2.482 10 0 CEAERO C[NH+](C)CCC(=O)Nc1nnc(-c2ccccc2)s1 ZINC000010151461 170398539 /nfs/dbraw/zinc/39/85/39/170398539.db2.gz APJWHJPDDLDLGO-UHFFFAOYSA-N 1 0 276.365 2.095 10 0 CEAERO C[NH+](C)CCCC(=O)Nc1ccc(Cl)cc1N ZINC000019258761 170760697 /nfs/dbraw/zinc/76/06/97/170760697.db2.gz SSBMQYTYPXMPPG-UHFFFAOYSA-N 1 0 255.749 2.203 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1Oc1ccc2c(c1)CCC(=O)N2 ZINC000019268624 170765888 /nfs/dbraw/zinc/76/58/88/170765888.db2.gz OEHLIUIQDPBDTC-OCCSQVGLSA-N 1 0 260.337 2.220 10 0 CEAERO CC(C)c1ccc([C@@H]([NH3+])Cn2cccnc2=O)cc1 ZINC000019395065 170782676 /nfs/dbraw/zinc/78/26/76/170782676.db2.gz UPCHXMVGZKSIRI-AWEZNQCLSA-N 1 0 257.337 2.067 10 0 CEAERO C[C@@H]1CC[C@H](C(=O)Nc2ccc3c(c2)OCCCO3)C[NH2+]1 ZINC000019478581 170808493 /nfs/dbraw/zinc/80/84/93/170808493.db2.gz FPRSSRSQMYFIOT-NEPJUHHUSA-N 1 0 290.363 2.175 10 0 CEAERO NC(=[NH2+])c1ccc(COCc2ccc3c(c2)OCO3)cc1 ZINC000019478841 170808949 /nfs/dbraw/zinc/80/89/49/170808949.db2.gz IACUNSPOATUJBG-UHFFFAOYSA-N 1 0 284.315 2.416 10 0 CEAERO O=C(NCC[C@H]1CCCC[NH2+]1)c1ccc2c(c1)CCC2 ZINC000019487744 170813039 /nfs/dbraw/zinc/81/30/39/170813039.db2.gz YOJBLYMGYXDLJE-MRXNPFEDSA-N 1 0 272.392 2.437 10 0 CEAERO Cc1cc(C(=O)N(CCC[NH3+])Cc2cccnc2)c(C)o1 ZINC000019811650 170879100 /nfs/dbraw/zinc/87/91/00/170879100.db2.gz ZDIAMMULWLUFMG-UHFFFAOYSA-N 1 0 287.363 2.283 10 0 CEAERO CC[C@@H]([NH3+])c1ccc(O[C@H]2CCCCNC2=O)cc1 ZINC000019813293 170880020 /nfs/dbraw/zinc/88/00/20/170880020.db2.gz XSAKAVITYSZZLC-KGLIPLIRSA-N 1 0 262.353 2.144 10 0 CEAERO NC(=[NH2+])c1ccc(OCCOc2ccccc2)cc1 ZINC000019866270 170899566 /nfs/dbraw/zinc/89/95/66/170899566.db2.gz GRLAMCATZCAXMT-UHFFFAOYSA-N 1 0 256.305 2.428 10 0 CEAERO Cc1cc(=O)[nH]c(Sc2ccc(F)cc2[C@@H](C)[NH3+])n1 ZINC000019874061 170903665 /nfs/dbraw/zinc/90/36/65/170903665.db2.gz JPORDHFHMYYFMG-MRVPVSSYSA-N 1 0 279.340 2.388 10 0 CEAERO Fc1cccc(F)c1C[NH2+][C@@H]1CN2CCC1CC2 ZINC000019946116 170936697 /nfs/dbraw/zinc/93/66/97/170936697.db2.gz SAJFBTDJEVTFKM-CQSZACIVSA-N 1 0 252.308 2.149 10 0 CEAERO CC(C)c1nccn1CC(=O)Nc1ccccc1C[NH3+] ZINC000020030306 170973872 /nfs/dbraw/zinc/97/38/72/170973872.db2.gz NAEADXAQAZGBHG-UHFFFAOYSA-N 1 0 272.352 2.104 10 0 CEAERO CC(=O)NCC[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000020148899 171037844 /nfs/dbraw/zinc/03/78/44/171037844.db2.gz FAJRKERSRBGNHY-DSGUZJNWSA-N 1 0 264.413 2.317 10 0 CEAERO O=S(=O)(CC[C@H]1CCCC[NH2+]1)c1cccs1 ZINC000020183749 171046365 /nfs/dbraw/zinc/04/63/65/171046365.db2.gz AEYHIGUSIHQJDH-SNVBAGLBSA-N 1 0 259.396 2.054 10 0 CEAERO O=S(=O)(CC[C@@H]1CCCC[NH2+]1)c1ccc(F)cc1 ZINC000020183716 171046747 /nfs/dbraw/zinc/04/67/47/171046747.db2.gz XWPLKPLJGICYER-LBPRGKRZSA-N 1 0 271.357 2.132 10 0 CEAERO CCCN(CCC)S(=O)(=O)c1ccc(CCC[NH3+])cc1 ZINC000020269717 171125669 /nfs/dbraw/zinc/12/56/69/171125669.db2.gz SLLPDNQTDPGJGS-UHFFFAOYSA-N 1 0 298.452 2.389 10 0 CEAERO CC(C)Oc1ccccc1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000020269814 171125710 /nfs/dbraw/zinc/12/57/10/171125710.db2.gz HNKCMMZHYATBMV-LBPRGKRZSA-N 1 0 262.353 2.412 10 0 CEAERO [NH3+][C@H](CCN1CCOCC1)c1ccc(Br)cc1 ZINC000020273984 171131144 /nfs/dbraw/zinc/13/11/44/171131144.db2.gz DAOCCUAIYMYOLG-CYBMUJFWSA-N 1 0 299.212 2.171 10 0 CEAERO CC[NH+](CC)CCCN[C@H](C)C(=O)NC(C)(C)CC ZINC000020365739 171164187 /nfs/dbraw/zinc/16/41/87/171164187.db2.gz CDQUXARRIBOTJU-CYBMUJFWSA-N 1 0 271.449 2.001 10 0 CEAERO CC[C@@H](C)NC(=O)[C@H](C)Oc1ccccc1[C@@H](C)[NH3+] ZINC000020419445 171184309 /nfs/dbraw/zinc/18/43/09/171184309.db2.gz SMCPYHQHKOFXAM-UTUOFQBUSA-N 1 0 264.369 2.388 10 0 CEAERO C[C@H]([NH3+])c1cccc(O[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000020419811 171184936 /nfs/dbraw/zinc/18/49/36/171184936.db2.gz OHWXCVNGJAJQAC-QWRGUYRKSA-N 1 0 264.369 2.388 10 0 CEAERO CCCNC(=O)[C@@H](C)Oc1ccc([C@@H](C)[NH3+])cc1OC ZINC000020419858 171185352 /nfs/dbraw/zinc/18/53/52/171185352.db2.gz RDRQSAKTEDJAQF-GHMZBOCLSA-N 1 0 280.368 2.008 10 0 CEAERO COc1ccc([C@H]([NH3+])c2ccc3c(c2)CC(=O)N3C)cc1 ZINC000020431215 171196259 /nfs/dbraw/zinc/19/62/59/171196259.db2.gz OCSQZRHOXURDTB-KRWDZBQOSA-N 1 0 282.343 2.262 10 0 CEAERO COc1cc(C[NH3+])cc(Cl)c1OC[C@@H]1CCCO1 ZINC000020470674 171213029 /nfs/dbraw/zinc/21/30/29/171213029.db2.gz YYLFVGIWPAPHFA-JTQLQIEISA-N 1 0 271.744 2.365 10 0 CEAERO CCOc1cc(C[NH2+][C@H](C)CC)ccc1OCCO ZINC000020934666 171280937 /nfs/dbraw/zinc/28/09/37/171280937.db2.gz GAKYRLVHQQBNQJ-GFCCVEGCSA-N 1 0 267.369 2.345 10 0 CEAERO C[C@@H](C(=O)Nc1ccccc1N)[NH+]1CCC(C)CC1 ZINC000022152439 171359447 /nfs/dbraw/zinc/35/94/47/171359447.db2.gz ZVOGQKSHCMGAKF-LBPRGKRZSA-N 1 0 261.369 2.328 10 0 CEAERO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c(N)c1 ZINC000022152824 171360220 /nfs/dbraw/zinc/36/02/20/171360220.db2.gz XWVGRRUUEUBNQL-VXGBXAGGSA-N 1 0 291.395 2.336 10 0 CEAERO Cc1c(N)cccc1NC(=O)CC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000022153004 171360245 /nfs/dbraw/zinc/36/02/45/171360245.db2.gz KDZOOYBABWZNDZ-RYUDHWBXSA-N 1 0 291.395 2.015 10 0 CEAERO [NH3+]Cc1ccc(OCC(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000022163355 171364515 /nfs/dbraw/zinc/36/45/15/171364515.db2.gz OOQCFEWOJVAGKF-UHFFFAOYSA-N 1 0 292.285 2.441 10 0 CEAERO COc1cccc(OCC(=O)Nc2ccccc2C[NH3+])c1 ZINC000022168244 171366778 /nfs/dbraw/zinc/36/67/78/171366778.db2.gz LWPCLESLDRVLPW-UHFFFAOYSA-N 1 0 286.331 2.171 10 0 CEAERO CCN(c1ccccc1)S(=O)(=O)c1ccccc1C[NH3+] ZINC000022175128 171369915 /nfs/dbraw/zinc/36/99/15/171369915.db2.gz ZTXZJPZSVZPBTP-UHFFFAOYSA-N 1 0 290.388 2.361 10 0 CEAERO C[C@@H](OCC(F)(F)F)C(=O)Nc1ccccc1C[NH3+] ZINC000022212714 171374458 /nfs/dbraw/zinc/37/44/58/171374458.db2.gz AIOCBJXJODUTGP-MRVPVSSYSA-N 1 0 276.258 2.051 10 0 CEAERO Cc1cc(N)ccc1NC(=O)CC[NH+]1CCCCC1 ZINC000022217073 171375819 /nfs/dbraw/zinc/37/58/19/171375819.db2.gz HBVRECCJTGGEGN-UHFFFAOYSA-N 1 0 261.369 2.392 10 0 CEAERO C[C@H]1C[C@H](C)C[NH+](CC(=O)Nc2ccc(F)cc2N)C1 ZINC000022218930 171376920 /nfs/dbraw/zinc/37/69/20/171376920.db2.gz LEVIQDMMAGBGPA-QWRGUYRKSA-N 1 0 279.359 2.324 10 0 CEAERO c1ccc2c(c1)CCO[C@@H]2C[NH2+]CCN1CCCCC1 ZINC000022594654 171393918 /nfs/dbraw/zinc/39/39/18/171393918.db2.gz YTLWRNOKIKJPIT-QGZVFWFLSA-N 1 0 274.408 2.376 10 0 CEAERO Cc1cccc(O[C@H]2CC3(CC[C@H]2[NH3+])OCCO3)c1C ZINC000023068554 171409373 /nfs/dbraw/zinc/40/93/73/171409373.db2.gz SZXPTGCBRCBYQE-HIFRSBDPSA-N 1 0 277.364 2.305 10 0 CEAERO CC(C)[C@H]([C@H]([NH3+])c1ccccc1)N1CCO[C@@H](C)C1 ZINC000023069236 171409541 /nfs/dbraw/zinc/40/95/41/171409541.db2.gz JPWOXWXGKKNCBD-NUEKZKHPSA-N 1 0 262.397 2.432 10 0 CEAERO COc1ccc(CCNC2=[NH+]CCCS2)cc1 ZINC000034971968 171908153 /nfs/dbraw/zinc/90/81/53/171908153.db2.gz QWRKLCXDCYFOHJ-UHFFFAOYSA-N 1 0 250.367 2.320 10 0 CEAERO COc1cccc([C@@H](C[NH2+]C[C@@H]2CCCCO2)N(C)C)c1 ZINC000035151282 172014739 /nfs/dbraw/zinc/01/47/39/172014739.db2.gz FGBWTRSKHMRTDN-DLBZAZTESA-N 1 0 292.423 2.457 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)s1 ZINC000035285644 172104032 /nfs/dbraw/zinc/10/40/32/172104032.db2.gz HEFZCHPMCWAMNB-JGVFFNPUSA-N 1 0 279.814 2.239 10 0 CEAERO CCCNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCC)cc1 ZINC000035632736 172315423 /nfs/dbraw/zinc/31/54/23/172315423.db2.gz ZELSWPLQZPJYPX-LBPRGKRZSA-N 1 0 284.425 2.436 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000035632814 172315462 /nfs/dbraw/zinc/31/54/62/172315462.db2.gz DXHAYXBKLSEKQY-LLVKDONJSA-N 1 0 270.398 2.044 10 0 CEAERO Fc1ccc(Cn2ccnc2C[NH2+]C2CC2)cc1F ZINC000035636832 172320524 /nfs/dbraw/zinc/32/05/24/172320524.db2.gz MSABZWONVNIMJQ-UHFFFAOYSA-N 1 0 263.291 2.462 10 0 CEAERO CC[NH2+][C@@H](C)c1ccccc1NS(=O)(=O)CC ZINC000035645100 172321889 /nfs/dbraw/zinc/32/18/89/172321889.db2.gz OEKCFDGKJJFBKH-JTQLQIEISA-N 1 0 256.371 2.119 10 0 CEAERO CCCN(CCC)S(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000035679183 172349524 /nfs/dbraw/zinc/34/95/24/172349524.db2.gz PTHJIHMTGNSBCQ-UHFFFAOYSA-N 1 0 290.454 2.060 10 0 CEAERO CCC[C@@H](C)[NH2+][C@@H]1CS(=O)(=O)c2ccccc21 ZINC000035688110 172356608 /nfs/dbraw/zinc/35/66/08/172356608.db2.gz PCHUZCABQOPZPG-ZYHUDNBSSA-N 1 0 253.367 2.293 10 0 CEAERO C[C@@H](NC(=O)NC1CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000035691200 172359144 /nfs/dbraw/zinc/35/91/44/172359144.db2.gz VLNAJYUMMMCZJS-YPMHNXCESA-N 1 0 253.390 2.149 10 0 CEAERO CC[NH2+][C@@H]1c2cccc(Cl)c2S(=O)(=O)C[C@@H]1C ZINC000035761260 172399168 /nfs/dbraw/zinc/39/91/68/172399168.db2.gz ULFOTONYNSPVCY-KWQFWETISA-N 1 0 273.785 2.414 10 0 CEAERO C[NH2+][C@@H]1C[C@H](C)S(=O)(=O)c2c(Cl)cccc21 ZINC000035761330 172399860 /nfs/dbraw/zinc/39/98/60/172399860.db2.gz KQBXHCFEBUBTIL-OIBJUYFYSA-N 1 0 259.758 2.166 10 0 CEAERO COc1ccc(Br)cc1[C@@H](O)[C@H]1CCC[NH2+]1 ZINC000036176975 172496309 /nfs/dbraw/zinc/49/63/09/172496309.db2.gz LCZIFQDPOOOSLT-ZYHUDNBSSA-N 1 0 286.169 2.243 10 0 CEAERO C[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(=O)c1ccc(F)cc1Cl ZINC000036258863 172551229 /nfs/dbraw/zinc/55/12/29/172551229.db2.gz JCFLNEOKMMUIBC-ZDMBXUJBSA-N 1 0 282.746 2.302 10 0 CEAERO CCCCS(=O)(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000036298655 172592078 /nfs/dbraw/zinc/59/20/78/172592078.db2.gz MDGJETIXFHRASS-UHFFFAOYSA-N 1 0 270.398 2.338 10 0 CEAERO CCC(CC)N(C)C(=O)COc1ccc(C[NH3+])cc1 ZINC000036788534 172706146 /nfs/dbraw/zinc/70/61/46/172706146.db2.gz HIBHMMUXLKJQHU-UHFFFAOYSA-N 1 0 264.369 2.171 10 0 CEAERO CCOc1ccc(C(C)=O)cc1CSCC[NH3+] ZINC000037035679 172903607 /nfs/dbraw/zinc/90/36/07/172903607.db2.gz YLJLCJDPTALJRR-UHFFFAOYSA-N 1 0 253.367 2.480 10 0 CEAERO Cc1noc(C)c1C[NH2+][C@H](CC(C)C)CN(C)C ZINC000037167220 173001346 /nfs/dbraw/zinc/00/13/46/173001346.db2.gz SKJMPPUIQOENGU-CYBMUJFWSA-N 1 0 253.390 2.357 10 0 CEAERO CCCCCN(C)S(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000037171685 173005975 /nfs/dbraw/zinc/00/59/75/173005975.db2.gz FVHHZMZRCFSMGH-UHFFFAOYSA-N 1 0 284.425 2.097 10 0 CEAERO COc1ccc(C[N@H+](C)[C@H]2CCSC2)cc1N ZINC000037174129 173008847 /nfs/dbraw/zinc/00/88/47/173008847.db2.gz WHOSHHWCLQASFK-NSHDSACASA-N 1 0 252.383 2.215 10 0 CEAERO COc1ccc([C@H](C[NH3+])N(C)[C@@H]2CCSC2)cc1 ZINC000037174518 173009111 /nfs/dbraw/zinc/00/91/11/173009111.db2.gz LJKQYFLWBZGBHZ-OCCSQVGLSA-N 1 0 266.410 2.132 10 0 CEAERO COC(=O)CC[NH2+][C@@H](C)c1ccc(OC)cc1F ZINC000037252146 173063561 /nfs/dbraw/zinc/06/35/61/173063561.db2.gz TVEGAEIXSCOBJF-VIFPVBQESA-N 1 0 255.289 2.048 10 0 CEAERO O=c1[nH]c(C[NH2+]CC2CCCC2)nc2ccccc21 ZINC000037258439 173069580 /nfs/dbraw/zinc/06/95/80/173069580.db2.gz DMYURLKPECXVLU-UHFFFAOYSA-N 1 0 257.337 2.203 10 0 CEAERO Cc1cccc([C@H](C)[NH2+]C2CCS(=O)(=O)CC2)c1 ZINC000037269917 173081119 /nfs/dbraw/zinc/08/11/19/173081119.db2.gz HAQUIMQNIMLKCY-LBPRGKRZSA-N 1 0 267.394 2.223 10 0 CEAERO COc1ccc(N(CCC[NH3+])C(=O)[C@@H]2C[C@@H]2C)cc1 ZINC000037298103 173101878 /nfs/dbraw/zinc/10/18/78/173101878.db2.gz RKAIXUORISVFPU-SMDDNHRTSA-N 1 0 262.353 2.033 10 0 CEAERO Cc1ccccc1C(=O)CN(C)C1CC[NH+](C)CC1 ZINC000037333232 173134319 /nfs/dbraw/zinc/13/43/19/173134319.db2.gz PKBLUTMXTMCDSE-UHFFFAOYSA-N 1 0 260.381 2.204 10 0 CEAERO C[NH+](C)C1CCN(CC(=O)c2ccc(F)cc2)CC1 ZINC000037339760 173141477 /nfs/dbraw/zinc/14/14/77/173141477.db2.gz XPYODALZNCOPLQ-UHFFFAOYSA-N 1 0 264.344 2.034 10 0 CEAERO CC(C)(C)c1ccccc1OC[C@@H](O)C[NH2+]C1CC1 ZINC000037370874 173160358 /nfs/dbraw/zinc/16/03/58/173160358.db2.gz WCFCOIMBKMZNMI-ZDUSSCGKSA-N 1 0 263.381 2.476 10 0 CEAERO C[C@H](O)[C@@H]([NH3+])c1nc2cc(Cl)ccc2n1C1CC1 ZINC000037440807 173210131 /nfs/dbraw/zinc/21/01/31/173210131.db2.gz CJDGUUPKHUSMFN-JVXZTZIISA-N 1 0 265.744 2.405 10 0 CEAERO CC[C@]([NH2+]C1CC1)(C(N)=O)c1ccc(Br)cc1 ZINC000037514575 173245903 /nfs/dbraw/zinc/24/59/03/173245903.db2.gz JUQLKPOVJNEREA-CYBMUJFWSA-N 1 0 297.196 2.292 10 0 CEAERO CCOCc1ccccc1NC(=O)CC[NH2+]C1CC1 ZINC000037612455 173560090 /nfs/dbraw/zinc/56/00/90/173560090.db2.gz YAIOEHQWGUGPFR-UHFFFAOYSA-N 1 0 262.353 2.304 10 0 CEAERO COCCOc1ccc(Br)cc1C[C@H](C)[NH3+] ZINC000037725220 173643805 /nfs/dbraw/zinc/64/38/05/173643805.db2.gz HMIRXPKXYVKNRZ-VIFPVBQESA-N 1 0 288.185 2.364 10 0 CEAERO CCOCCOc1ccc(C[C@H](C)[NH3+])cc1OC ZINC000037727245 173645958 /nfs/dbraw/zinc/64/59/58/173645958.db2.gz CFQLLPRKOCMLPX-NSHDSACASA-N 1 0 253.342 2.000 10 0 CEAERO C[C@H](COCc1ccccc1)[NH2+]C1CCC(O)CC1 ZINC000285920658 196442163 /nfs/dbraw/zinc/44/21/63/196442163.db2.gz DTCFFVLBRYKMRF-IUDNXUCKSA-N 1 0 263.381 2.485 10 0 CEAERO CCC(CC)N(CC(F)(F)F)C(=O)[C@@H]1CCC[NH2+]1 ZINC000037814362 173762153 /nfs/dbraw/zinc/76/21/53/173762153.db2.gz VEJOSNNQHMBFRK-JTQLQIEISA-N 1 0 266.307 2.318 10 0 CEAERO COc1cc(F)c([C@@H]([NH3+])CCCCC(N)=O)c(F)c1 ZINC000037903816 173835374 /nfs/dbraw/zinc/83/53/74/173835374.db2.gz NVHQOPYNOCDISC-NSHDSACASA-N 1 0 272.295 2.019 10 0 CEAERO CCC1CCC(C[NH2+][C@@H](C)C(=O)NC2CC2)CC1 ZINC000037905872 173838315 /nfs/dbraw/zinc/83/83/15/173838315.db2.gz SBPKLTOPHBYPKF-HIFPTAJRSA-N 1 0 252.402 2.460 10 0 CEAERO Nc1cccc2c1CC[N@H+](C[C@H](O)c1ccccc1)C2 ZINC000038032924 174029839 /nfs/dbraw/zinc/02/98/39/174029839.db2.gz DOSQRRHVAVGVDJ-KRWDZBQOSA-N 1 0 268.360 2.361 10 0 CEAERO COc1ccc(CC[C@H](C)[NH2+]Cc2nc(C)no2)cc1 ZINC000038034053 174032071 /nfs/dbraw/zinc/03/20/71/174032071.db2.gz FIEWDCXBKCPDIC-NSHDSACASA-N 1 0 275.352 2.498 10 0 CEAERO CCCn1c2ccccc2nc1CNC[C@H]1CC[N@H+](C)C1 ZINC000038046862 174055828 /nfs/dbraw/zinc/05/58/28/174055828.db2.gz FLKOHKXSNRDBRV-CQSZACIVSA-N 1 0 286.423 2.488 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)cc1O ZINC000038049188 174059938 /nfs/dbraw/zinc/05/99/38/174059938.db2.gz RDUBPSXUARIZTG-WDEREUQCSA-N 1 0 268.744 2.045 10 0 CEAERO CCOc1ccc(C(=O)N[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000038049329 174060435 /nfs/dbraw/zinc/06/04/35/174060435.db2.gz XMGCESFYGJKNKJ-KGLIPLIRSA-N 1 0 262.353 2.085 10 0 CEAERO Cc1cccc(OCCC(=O)N[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000038049557 174060681 /nfs/dbraw/zinc/06/06/81/174060681.db2.gz RBOJREFTVLRSCL-CABCVRRESA-N 1 0 276.380 2.150 10 0 CEAERO [NH3+]Cc1ccc(OCCCn2cc(Cl)cn2)cc1 ZINC000038053339 174065169 /nfs/dbraw/zinc/06/51/69/174065169.db2.gz SRNVKVSGKUXNFT-UHFFFAOYSA-N 1 0 265.744 2.464 10 0 CEAERO CCOC(=O)CC[C@@H]([NH3+])c1ccc2c(c1)CCCO2 ZINC000038058265 174068977 /nfs/dbraw/zinc/06/89/77/174068977.db2.gz GVSYHPNJRBBGMK-CYBMUJFWSA-N 1 0 263.337 2.355 10 0 CEAERO CC[C@H](C)[NH2+][C@@](CC)(C(N)=O)c1ccc(OC)cc1 ZINC000038065583 174076641 /nfs/dbraw/zinc/07/66/41/174076641.db2.gz POAVCPZZLSHWIU-XHDPSFHLSA-N 1 0 264.369 2.174 10 0 CEAERO CC[C@@H](C)[NH2+][C@](C)(C(N)=O)c1ccc(Cl)cc1 ZINC000038065640 174076897 /nfs/dbraw/zinc/07/68/97/174076897.db2.gz RXMDODWMIRMXEH-RNCFNFMXSA-N 1 0 254.761 2.429 10 0 CEAERO C[C@H](C[NH2+]Cc1cc2c(c(Cl)c1)OCO2)N(C)C ZINC000038087926 174100384 /nfs/dbraw/zinc/10/03/84/174100384.db2.gz BKLAKLNUYHALIQ-SECBINFHSA-N 1 0 270.760 2.108 10 0 CEAERO C[C@@H](Cn1sc2ccccc2c1=O)C[NH+](C)C ZINC000038634977 174149811 /nfs/dbraw/zinc/14/98/11/174149811.db2.gz KKVWYFKWZWCPOZ-SNVBAGLBSA-N 1 0 250.367 2.261 10 0 CEAERO CSCC[C@H]([NH3+])C(=O)N[C@@H](C)c1ccccc1F ZINC000040464176 174273450 /nfs/dbraw/zinc/27/34/50/174273450.db2.gz NIEBMPCQMMLSSF-CABZTGNLSA-N 1 0 270.373 2.083 10 0 CEAERO CSCC[C@H]([NH3+])C(=O)N(C)[C@H](C)c1cccs1 ZINC000040468424 174276707 /nfs/dbraw/zinc/27/67/07/174276707.db2.gz CUPYCMWFXLGRHB-ZJUUUORDSA-N 1 0 272.439 2.348 10 0 CEAERO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc(Br)cn1 ZINC000040487120 174289700 /nfs/dbraw/zinc/28/97/00/174289700.db2.gz PJFIHNWBSVBSGO-XCBNKYQSSA-N 1 0 286.173 2.156 10 0 CEAERO COc1cccc(OC[C@@H](O)C[NH2+]CC(C)(C)C)c1 ZINC000040493232 174292823 /nfs/dbraw/zinc/29/28/23/174292823.db2.gz RTPKMNVTQKUCLO-LBPRGKRZSA-N 1 0 267.369 2.071 10 0 CEAERO Cc1ccc(OC[C@H](O)C[NH2+]CC(C)(C)C)cc1 ZINC000040493530 174293466 /nfs/dbraw/zinc/29/34/66/174293466.db2.gz VEJOSCBVDRYWQW-CYBMUJFWSA-N 1 0 251.370 2.370 10 0 CEAERO CC[N@@H+]1CCC[C@@H](N[C@@H](c2ccco2)c2nccn2C)C1 ZINC000040502832 174298600 /nfs/dbraw/zinc/29/86/00/174298600.db2.gz SRWWLPWWYPZSIB-HIFRSBDPSA-N 1 0 288.395 2.176 10 0 CEAERO CCN1CCC[C@H]([NH2+]Cc2ccccc2C(=O)OC)C1 ZINC000040502761 174298721 /nfs/dbraw/zinc/29/87/21/174298721.db2.gz QTXPRIAGZBTAGR-AWEZNQCLSA-N 1 0 276.380 2.047 10 0 CEAERO CCN1CCC[C@H]([NH2+][C@@H]2CCc3c2cccc3O)C1 ZINC000040502707 174299261 /nfs/dbraw/zinc/29/92/61/174299261.db2.gz ICTBPLOEAAUAMT-SWLSCSKDSA-N 1 0 260.381 2.453 10 0 CEAERO CCCCOCC[NH2+][C@@H](C)C(=O)N[C@H](C)CCC ZINC000040507354 174303138 /nfs/dbraw/zinc/30/31/38/174303138.db2.gz IBSMDDQLCMEOMI-OLZOCXBDSA-N 1 0 258.406 2.086 10 0 CEAERO Cc1cc(C)c(C(N)=S)c(N(C)CC(C)C)[nH+]1 ZINC000040510231 174304053 /nfs/dbraw/zinc/30/40/53/174304053.db2.gz ZVEUOQUTRPLUEP-UHFFFAOYSA-N 1 0 251.399 2.425 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CNc1nc(C)cc(C)c1C(N)=S ZINC000040510114 174304344 /nfs/dbraw/zinc/30/43/44/174304344.db2.gz KZUVUVWFILDUHC-LBPRGKRZSA-N 1 0 292.452 2.229 10 0 CEAERO Cc1cc(C)c(C(N)=[NH2+])c(N(C)CCc2ccncc2)n1 ZINC000040515133 174306580 /nfs/dbraw/zinc/30/65/80/174306580.db2.gz DBGDEDWSRPGNAV-UHFFFAOYSA-N 1 0 283.379 2.056 10 0 CEAERO Cc1nc(C)c([C@@H](C)NC(=O)[C@H]2CCCC[NH2+]2)s1 ZINC000040519024 174308484 /nfs/dbraw/zinc/30/84/84/174308484.db2.gz DVLIPFQVCCXSEA-MWLCHTKSSA-N 1 0 267.398 2.079 10 0 CEAERO C[NH2+]C[C@H]1CCCN(Cc2noc(-c3ccsc3)n2)C1 ZINC000040600294 174350482 /nfs/dbraw/zinc/35/04/82/174350482.db2.gz MQDGWCJZWHDPIH-LLVKDONJSA-N 1 0 292.408 2.230 10 0 CEAERO [NH3+]Cc1cccc(N2C(=O)C[C@@H](c3ccccc3)C2=O)c1 ZINC000040605792 174353199 /nfs/dbraw/zinc/35/31/99/174353199.db2.gz XDDHFQHVOHLBKL-HNNXBMFYSA-N 1 0 280.327 2.192 10 0 CEAERO CC[NH+](CC)[C@@H](CNS(=O)(=O)CC)c1ccc(C)cc1 ZINC000040615403 174354279 /nfs/dbraw/zinc/35/42/79/174354279.db2.gz UZWCPFLMUNMFGX-HNNXBMFYSA-N 1 0 298.452 2.317 10 0 CEAERO CC(C)OC[C@H](O)C[NH2+]Cc1cc2c(s1)CCC2 ZINC000040626845 174356856 /nfs/dbraw/zinc/35/68/56/174356856.db2.gz RXIDZNIILQRTAV-GFCCVEGCSA-N 1 0 269.410 2.112 10 0 CEAERO [NH3+]C1(C(=O)NCc2cc3c(s2)CCC3)CCCC1 ZINC000040628114 174356899 /nfs/dbraw/zinc/35/68/99/174356899.db2.gz GKAWUFSYMQWJGK-UHFFFAOYSA-N 1 0 264.394 2.125 10 0 CEAERO CCCOc1cc(C)ccc1NC(=O)[C@@H]1C[C@H](OC)C[NH2+]1 ZINC000040634285 174360386 /nfs/dbraw/zinc/36/03/86/174360386.db2.gz RLHFVSPWWPZNFU-JSGCOSHPSA-N 1 0 292.379 2.099 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](c2nc(-c3ccc(F)cc3)c[nH]2)C1 ZINC000040637651 174361659 /nfs/dbraw/zinc/36/16/59/174361659.db2.gz RHFGIMIKHWIFOE-VXGBXAGGSA-N 1 0 261.300 2.265 10 0 CEAERO CO[C@H]1C[NH2+][C@H](c2nc(-c3ccccc3F)c[nH]2)C1 ZINC000040637841 174361706 /nfs/dbraw/zinc/36/17/06/174361706.db2.gz ZQBUPBPVLQZIIB-SKDRFNHKSA-N 1 0 261.300 2.265 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](c2nc(-c3ccc(C)s3)c[nH]2)C1 ZINC000040637794 174361942 /nfs/dbraw/zinc/36/19/42/174361942.db2.gz GAISLGUOGJXHNQ-NXEZZACHSA-N 1 0 263.366 2.496 10 0 CEAERO COc1cccc([C@@H](C)[NH2+]CCc2nccn2C)c1 ZINC000040638720 174363383 /nfs/dbraw/zinc/36/33/83/174363383.db2.gz YBRNRWNUOHXMAK-GFCCVEGCSA-N 1 0 259.353 2.322 10 0 CEAERO Cc1ncsc1[C@H](C)[NH2+]CCc1nccn1C ZINC000040639360 174363579 /nfs/dbraw/zinc/36/35/79/174363579.db2.gz BLTPCDQEPMUDED-VIFPVBQESA-N 1 0 250.371 2.078 10 0 CEAERO C[C@@H](NCc1cccc2c1OCO2)[C@H]1CCC[N@H+](C)C1 ZINC000040667121 174366133 /nfs/dbraw/zinc/36/61/33/174366133.db2.gz UIGPRUDLOKWPHC-OCCSQVGLSA-N 1 0 276.380 2.235 10 0 CEAERO CN1CCC[C@H]([NH2+]Cc2ccc3c(c2)OCCCO3)C1 ZINC000040673181 174371327 /nfs/dbraw/zinc/37/13/27/174371327.db2.gz QBOCHLCIAIXFFL-AWEZNQCLSA-N 1 0 276.380 2.032 10 0 CEAERO CC(C)([NH2+][C@H](c1ccc(F)cc1)C1CC1)C(N)=O ZINC000040674726 174373159 /nfs/dbraw/zinc/37/31/59/174373159.db2.gz YYBDPJZAWSRZLW-LBPRGKRZSA-N 1 0 250.317 2.130 10 0 CEAERO Fc1cccc(Cc2noc([C@H]3CCC[NH2+]C3)n2)c1 ZINC000040677332 174374395 /nfs/dbraw/zinc/37/43/95/174374395.db2.gz CPXNNUQBDRRWGX-NSHDSACASA-N 1 0 261.300 2.267 10 0 CEAERO CCOC1CCN([C@@H](C[NH3+])c2cc(F)ccc2F)CC1 ZINC000040678571 174374767 /nfs/dbraw/zinc/37/47/67/174374767.db2.gz BFNIESIMAVRXTA-HNNXBMFYSA-N 1 0 284.350 2.466 10 0 CEAERO CCOC1CCN([C@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000040689112 174375975 /nfs/dbraw/zinc/37/59/75/174375975.db2.gz DDPRDDYWEMGCLZ-MRXNPFEDSA-N 1 0 278.396 2.196 10 0 CEAERO NNc1[nH+]cnc(Nc2cc(Cl)cc(Cl)c2)c1N ZINC000040701051 174379044 /nfs/dbraw/zinc/37/90/44/174379044.db2.gz OPKLLRKPVZPDJC-UHFFFAOYSA-N 1 0 285.138 2.395 10 0 CEAERO [NH3+]Cc1ccc(COc2ccc(CO)cc2)c(F)c1 ZINC000040710949 174381277 /nfs/dbraw/zinc/38/12/77/174381277.db2.gz DPPSEMSCBWXEKM-UHFFFAOYSA-N 1 0 261.296 2.356 10 0 CEAERO Cc1nnc(Oc2cccc(N(C)C)c2)c(C(N)=[NH2+])c1C ZINC000040714626 174382392 /nfs/dbraw/zinc/38/23/92/174382392.db2.gz ZRYKZBJZRYKHKC-UHFFFAOYSA-N 1 0 285.351 2.236 10 0 CEAERO C[N@@H+]1CCC[C@@H](Nc2ccc3scnc3c2N)C1 ZINC000040715789 174382731 /nfs/dbraw/zinc/38/27/31/174382731.db2.gz GTFOAJZBJKNEFN-SECBINFHSA-N 1 0 262.382 2.385 10 0 CEAERO C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(F)cc2N)C1 ZINC000040716773 174384645 /nfs/dbraw/zinc/38/46/45/174384645.db2.gz NNPIRCYVVCYKIA-JTQLQIEISA-N 1 0 265.332 2.078 10 0 CEAERO Cc1cc(N(CCC[NH3+])c2ccccc2F)ncn1 ZINC000040726844 174387256 /nfs/dbraw/zinc/38/72/56/174387256.db2.gz HJMUEIHAHJNMRV-UHFFFAOYSA-N 1 0 260.316 2.411 10 0 CEAERO C[C@@H](Nc1ccc(CCO)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000040738588 174390052 /nfs/dbraw/zinc/39/00/52/174390052.db2.gz SFAVPZYOWOMESW-UKRRQHHQSA-N 1 0 262.397 2.364 10 0 CEAERO COc1ccc(/C=C/C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000040740682 174390505 /nfs/dbraw/zinc/39/05/05/174390505.db2.gz TYXZBBCYUKTCTN-RXYZMLQFSA-N 1 0 286.375 2.108 10 0 CEAERO CCOC(=O)c1ccoc1CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746864 174391935 /nfs/dbraw/zinc/39/19/35/174391935.db2.gz XXPNJCOSJWDYEB-FUNVUKJBSA-N 1 0 292.379 2.171 10 0 CEAERO CC[N@H+](Cc1cccc(O)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747395 174392475 /nfs/dbraw/zinc/39/24/75/174392475.db2.gz KCJJKXQAQINYOX-YIONKMFJSA-N 1 0 260.381 2.497 10 0 CEAERO CCCN(C(=O)C1CCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747848 174393365 /nfs/dbraw/zinc/39/33/65/174393365.db2.gz LWJFENNTSUCMAJ-PBWFPOADSA-N 1 0 250.386 2.308 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(F)(F)F)nc1 ZINC000040749457 174394369 /nfs/dbraw/zinc/39/43/69/174394369.db2.gz FHNFURFQXPIHBD-FGWVZKOKSA-N 1 0 299.296 2.195 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)cc1 ZINC000040749653 174394433 /nfs/dbraw/zinc/39/44/33/174394433.db2.gz IPXJWZAMPSRCNB-YHWZYXNKSA-N 1 0 264.756 2.434 10 0 CEAERO CC(C)n1cccc1C(=O)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749537 174394458 /nfs/dbraw/zinc/39/44/58/174394458.db2.gz BKXZKSGVVXNSER-YHWZYXNKSA-N 1 0 261.369 2.163 10 0 CEAERO Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1F ZINC000040749576 174394501 /nfs/dbraw/zinc/39/45/01/174394501.db2.gz NVAIFJBQHAMJID-YHWZYXNKSA-N 1 0 262.328 2.228 10 0 CEAERO Cc1ccc(NC(=O)CN2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1F ZINC000040750003 174394837 /nfs/dbraw/zinc/39/48/37/174394837.db2.gz OMWGDSBKUCGMLI-QXMXGUDHSA-N 1 0 291.370 2.027 10 0 CEAERO CO[C@@H]1CCCC[C@@H]1[NH2+]CCN1CCCCCC1 ZINC000040767920 174398477 /nfs/dbraw/zinc/39/84/77/174398477.db2.gz GVEKRLKTUDZPCR-LSDHHAIUSA-N 1 0 254.418 2.410 10 0 CEAERO Brc1cccnc1NCC[NH2+]C1CC1 ZINC000054267769 414753757 /nfs/dbraw/zinc/75/37/57/414753757.db2.gz CVEZGSNSPPSNHV-UHFFFAOYSA-N 1 0 256.147 2.008 10 0 CEAERO CCOc1ccc(C(C)=O)cc1CN1CC[C@H]([NH+](C)C)C1 ZINC000062966680 414759809 /nfs/dbraw/zinc/75/98/09/414759809.db2.gz KATKOGYJKKRXIQ-INIZCTEOSA-N 1 0 290.407 2.424 10 0 CEAERO Fc1cc(Cl)ccc1CN1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404289478 414777888 /nfs/dbraw/zinc/77/78/88/414777888.db2.gz ZPDPTFPMDXHCLM-KGLIPLIRSA-N 1 0 284.762 2.042 10 0 CEAERO C[C@@H](OCc1ccccc1)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000404549711 414785719 /nfs/dbraw/zinc/78/57/19/414785719.db2.gz OXFQWEVNCCTEJH-CQSZACIVSA-N 1 0 298.386 2.367 10 0 CEAERO CC(C)N(CC[NH3+])C(=O)c1cccc(OC(F)F)c1 ZINC000041160441 174502485 /nfs/dbraw/zinc/50/24/85/174502485.db2.gz ZDQXANLYDWZAEA-UHFFFAOYSA-N 1 0 272.295 2.097 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)NC[C@H]1CC2CCC1CC2 ZINC000400188676 414747877 /nfs/dbraw/zinc/74/78/77/414747877.db2.gz YFYYJPCXJIGRRK-PQAZSJQKSA-N 1 0 252.402 2.302 10 0 CEAERO CC(NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])(C1CC1)C1CC1 ZINC000662914499 414800647 /nfs/dbraw/zinc/80/06/47/414800647.db2.gz AWJRYGMMUUWJTH-ZWNOBZJWSA-N 1 0 250.386 2.056 10 0 CEAERO CCCc1ccccc1NC(=O)C1([NH3+])CCOCC1 ZINC000127777903 414804727 /nfs/dbraw/zinc/80/47/27/414804727.db2.gz UYIPOBKAKWZRDT-UHFFFAOYSA-N 1 0 262.353 2.086 10 0 CEAERO CN(C(=O)c1ccc(F)cc1Cl)[C@@H](C[NH3+])C(F)(F)F ZINC000662976230 414814945 /nfs/dbraw/zinc/81/49/45/414814945.db2.gz MGLUQVIFCRKHAA-VIFPVBQESA-N 1 0 298.667 2.441 10 0 CEAERO Cc1cc(C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)c(F)cc1F ZINC000662981973 414817626 /nfs/dbraw/zinc/81/76/26/414817626.db2.gz SXRKBNJZXQWXOH-JTQLQIEISA-N 1 0 296.239 2.235 10 0 CEAERO Cc1ccc(C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)cc1C ZINC000662978204 414817651 /nfs/dbraw/zinc/81/76/51/414817651.db2.gz ZGAXTYZKDSDPAR-NSHDSACASA-N 1 0 274.286 2.265 10 0 CEAERO C[C@@H]1CCCC[C@H]1C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662987187 414819272 /nfs/dbraw/zinc/81/92/72/414819272.db2.gz RTDKZRXQUNRKSF-BBBLOLIVSA-N 1 0 266.307 2.161 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1cnccc1C(F)(F)F ZINC000663001963 414823311 /nfs/dbraw/zinc/82/33/11/414823311.db2.gz MCXGGTMMRUZHRU-GZMMTYOYSA-N 1 0 289.301 2.090 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)NCc1cnccc1C(F)(F)F ZINC000663002253 414823844 /nfs/dbraw/zinc/82/38/44/414823844.db2.gz OBSKZKFUDXZBNW-LLVKDONJSA-N 1 0 289.301 2.090 10 0 CEAERO Cc1ccc([C@H]2CNC(=[NH2+])N2Cc2ccccc2)cn1 ZINC000228894154 414846053 /nfs/dbraw/zinc/84/60/53/414846053.db2.gz JDLFHTPLVMDJIF-OAHLLOKOSA-N 1 0 266.348 2.262 10 0 CEAERO Cc1cc2c(n1CC[NH+](C)C)CC(C)(C)C[C@@H]2O ZINC000041713043 174613927 /nfs/dbraw/zinc/61/39/27/174613927.db2.gz WHWFWBLHRFLCDR-AWEZNQCLSA-N 1 0 250.386 2.364 10 0 CEAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(F)c(F)c2F)C1 ZINC000657325752 414860578 /nfs/dbraw/zinc/86/05/78/414860578.db2.gz KQTNYJBLISOTQW-NXEZZACHSA-N 1 0 259.271 2.497 10 0 CEAERO CC(C)Oc1ncccc1C[NH2+]C[C@@H](O)C(C)(C)C ZINC000311952271 414861891 /nfs/dbraw/zinc/86/18/91/414861891.db2.gz MYQZHBJKKTYXRC-CYBMUJFWSA-N 1 0 266.385 2.365 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CCn1cc(Cl)cn1 ZINC000312221640 414862266 /nfs/dbraw/zinc/86/22/66/414862266.db2.gz BDNNEMMKXJHAPF-CABCVRRESA-N 1 0 296.846 2.485 10 0 CEAERO Oc1cccc2c1CC[C@@H]2[NH2+]CCO[C@@H]1CC1(F)F ZINC000660651242 414917267 /nfs/dbraw/zinc/91/72/67/414917267.db2.gz ZAPOXTRPPDATTR-WCQYABFASA-N 1 0 269.291 2.393 10 0 CEAERO C[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CC1 ZINC000653150482 414927012 /nfs/dbraw/zinc/92/70/12/414927012.db2.gz CESWHEPVGLPSCC-WRWGMCAJSA-N 1 0 292.345 2.469 10 0 CEAERO O=C(NCC1(C2CC2)CCC1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653157870 414928441 /nfs/dbraw/zinc/92/84/41/414928441.db2.gz ONMRBWXGTJILEI-GHMZBOCLSA-N 1 0 290.329 2.081 10 0 CEAERO CCCc1nccnc1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000663386644 414939316 /nfs/dbraw/zinc/93/93/16/414939316.db2.gz QOBURWMHRSGKFS-LBPRGKRZSA-N 1 0 260.385 2.325 10 0 CEAERO CN(Cc1ccccc1)C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653056194 414890336 /nfs/dbraw/zinc/89/03/36/414890336.db2.gz XXPMZOJEFQBPCI-VXGBXAGGSA-N 1 0 286.297 2.043 10 0 CEAERO COc1cccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)c1 ZINC000653056550 414890886 /nfs/dbraw/zinc/89/08/86/414890886.db2.gz MOLARFDGURXJDY-GHMZBOCLSA-N 1 0 288.269 2.032 10 0 CEAERO O[C@@H]1CC[C@@H]2C[N@H+](Cc3ccc4c[nH]nc4c3)C[C@H]2C1 ZINC000660805923 414981014 /nfs/dbraw/zinc/98/10/14/414981014.db2.gz GTRRSSXVVZJPQD-RBSFLKMASA-N 1 0 271.364 2.156 10 0 CEAERO C[C@@H]1CCC[C@@H](N(C)C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653446029 414997186 /nfs/dbraw/zinc/99/71/86/414997186.db2.gz LCBIYOYLSDXXQT-DDHJBXDOSA-N 1 0 292.345 2.421 10 0 CEAERO CC[C@H](C)N(CCOC)C(=O)CC[NH2+]C(C)(C)C ZINC000042591141 174812127 /nfs/dbraw/zinc/81/21/27/174812127.db2.gz HMQABSZIMWFUSQ-LBPRGKRZSA-N 1 0 258.406 2.038 10 0 CEAERO CN1C[C@H](C[NH2+][C@H]2CCCC(C)(C)CC2)CC1=O ZINC000657695830 415050963 /nfs/dbraw/zinc/05/09/63/415050963.db2.gz BVIXQQKVQSYUMT-STQMWFEESA-N 1 0 252.402 2.413 10 0 CEAERO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1ccc(Cl)cc1 ZINC000657695134 415051172 /nfs/dbraw/zinc/05/11/72/415051172.db2.gz ISAQWGOSJWPBBM-QWRGUYRKSA-N 1 0 266.772 2.469 10 0 CEAERO CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC(=O)N(C)C2)CC1 ZINC000657697226 415053607 /nfs/dbraw/zinc/05/36/07/415053607.db2.gz RCYVKTCVHROSAQ-RDBSUJKOSA-N 1 0 252.402 2.413 10 0 CEAERO CC(C)N(CC(F)(F)F)[C@@H](C[NH3+])c1cccnc1 ZINC000042746489 174865196 /nfs/dbraw/zinc/86/51/96/174865196.db2.gz GTSWYOKARFVJNX-NSHDSACASA-N 1 0 261.291 2.354 10 0 CEAERO Cc1ccccc1[C@H](Sc1nncn1C)[C@H](C)[NH3+] ZINC000043041026 174953620 /nfs/dbraw/zinc/95/36/20/174953620.db2.gz GAZCDRHURWQRCY-CMPLNLGQSA-N 1 0 262.382 2.304 10 0 CEAERO C[C@H]([NH3+])[C@@H](Sc1nnnn1C1CC1)c1ccsc1 ZINC000043126008 174977759 /nfs/dbraw/zinc/97/77/59/174977759.db2.gz ABWGZVRZKZUEBW-OIBJUYFYSA-N 1 0 281.410 2.250 10 0 CEAERO Cc1ccccc1CN(C)[C@@H](c1cnn(C)c1)[C@@H](C)[NH3+] ZINC000043127424 174978609 /nfs/dbraw/zinc/97/86/09/174978609.db2.gz STJFSAMKTQIDQW-CZUORRHYSA-N 1 0 272.396 2.249 10 0 CEAERO Cc1cccc(CN(C)[C@H](c2cnn(C)c2)[C@@H](C)[NH3+])c1 ZINC000043128529 174978957 /nfs/dbraw/zinc/97/89/57/174978957.db2.gz WDEFLSNIKFSJED-CJNGLKHVSA-N 1 0 272.396 2.249 10 0 CEAERO [NH3+][C@H](c1ccc2ccccc2c1)[C@H]1CCS(=O)(=O)C1 ZINC000043299876 175000245 /nfs/dbraw/zinc/00/02/45/175000245.db2.gz KTBGJSFRLUGQEU-LSDHHAIUSA-N 1 0 275.373 2.274 10 0 CEAERO [NH3+][C@H](c1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000043299938 175000397 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CCC[NH2+][C@H](c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043301372 175002113 /nfs/dbraw/zinc/00/21/13/175002113.db2.gz RZVKTWQLKMGDFN-LSDHHAIUSA-N 1 0 281.421 2.470 10 0 CEAERO CCC[NH2+][C@H](c1ccccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000043301447 175002114 /nfs/dbraw/zinc/00/21/14/175002114.db2.gz JHNSXMXQTRABMJ-ZFWWWQNUSA-N 1 0 281.421 2.470 10 0 CEAERO Cc1cccc([C@H](CN)[N@@H+](C)C2CCOCC2)c1C ZINC000043314696 175004516 /nfs/dbraw/zinc/00/45/16/175004516.db2.gz OYMVZDVWTYJSQV-INIZCTEOSA-N 1 0 262.397 2.414 10 0 CEAERO CN(C)C(=O)c1ccc(Cl)c(N[C@@H]2CCC[NH2+]C2)c1 ZINC000043326805 175008379 /nfs/dbraw/zinc/00/83/79/175008379.db2.gz XSCQAUYMCJCQQH-LLVKDONJSA-N 1 0 281.787 2.206 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1ccco1)N(CCO)C1CCCCC1 ZINC000043336134 175011877 /nfs/dbraw/zinc/01/18/77/175011877.db2.gz YLZOUAJOWMRTMO-DOMZBBRYSA-N 1 0 266.385 2.295 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccccn1)N(C)Cc1ccncc1 ZINC000043339260 175013833 /nfs/dbraw/zinc/01/38/33/175013833.db2.gz CGEHBMJLVATTIP-ZBFHGGJFSA-N 1 0 270.380 2.387 10 0 CEAERO CC[C@@H]([NH3+])[C@H](OC[C@@H]1CCCCO1)c1ccccn1 ZINC000043342872 175015780 /nfs/dbraw/zinc/01/57/80/175015780.db2.gz GOGMCGJGCYDKNE-GUTXKFCHSA-N 1 0 264.369 2.446 10 0 CEAERO COc1cc(C)ccc1O[C@H](C[NH3+])c1ccccn1 ZINC000043342520 175016023 /nfs/dbraw/zinc/01/60/23/175016023.db2.gz YUIMKWIDCGLJRV-OAHLLOKOSA-N 1 0 258.321 2.477 10 0 CEAERO CCOC(=O)CS[C@H](c1ccccn1)[C@H]([NH3+])CC ZINC000043345097 175016456 /nfs/dbraw/zinc/01/64/56/175016456.db2.gz JXJXFNRWHWHDGS-MFKMUULPSA-N 1 0 268.382 2.156 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1cccnc1)N(CC)[C@@H](C)COC ZINC000043348593 175018568 /nfs/dbraw/zinc/01/85/68/175018568.db2.gz WMYHMTWHBOQFKV-AEGPPILISA-N 1 0 265.401 2.217 10 0 CEAERO CN(Cc1ccccc1F)[C@@H](C[NH3+])c1ccncc1 ZINC000043353565 175020901 /nfs/dbraw/zinc/02/09/01/175020901.db2.gz MWMVZZHUDIJLHO-HNNXBMFYSA-N 1 0 259.328 2.353 10 0 CEAERO COc1cccc(CO[C@H](C[NH3+])c2ccncc2)c1 ZINC000043355792 175023742 /nfs/dbraw/zinc/02/37/42/175023742.db2.gz HDMZPTQYVUWKFZ-OAHLLOKOSA-N 1 0 258.321 2.307 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1nc(C)cc(=O)[nH]1)c1ccncc1 ZINC000043363229 175024099 /nfs/dbraw/zinc/02/40/99/175024099.db2.gz YHPMETJYIBAUBZ-YPMHNXCESA-N 1 0 290.392 2.456 10 0 CEAERO CCOC(=O)CS[C@@H](c1ccncc1)[C@@H]([NH3+])CC ZINC000043363484 175024241 /nfs/dbraw/zinc/02/42/41/175024241.db2.gz MMWBVLVPNYYCSX-AAEUAGOBSA-N 1 0 268.382 2.156 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccc(C)o1)N1CCSCC1 ZINC000043363942 175024755 /nfs/dbraw/zinc/02/47/55/175024755.db2.gz LJJAPHZVCUHKGY-WCQYABFASA-N 1 0 254.399 2.415 10 0 CEAERO Cc1ccc([C@H](Sc2nnnn2C2CC2)[C@H](C)[NH3+])o1 ZINC000043367341 175027599 /nfs/dbraw/zinc/02/75/99/175027599.db2.gz BVTALUAVRQMKGM-GZMMTYOYSA-N 1 0 279.369 2.090 10 0 CEAERO CC[C@@H]([NH3+])[C@H](N(CCO)C1CCCCC1)C(F)(F)F ZINC000043378981 175030817 /nfs/dbraw/zinc/03/08/17/175030817.db2.gz QFCFZCSYFNTTQE-NEPJUHHUSA-N 1 0 282.350 2.282 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](n1nnc(-c2ccccc2)n1)C(F)(F)F ZINC000043383031 175031142 /nfs/dbraw/zinc/03/11/42/175031142.db2.gz NGKQMVBYSVCSRL-NXEZZACHSA-N 1 0 285.273 2.181 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Oc1ccc2c(c1)OCO2)C(F)(F)F ZINC000043384539 175031630 /nfs/dbraw/zinc/03/16/30/175031630.db2.gz JXHDCZJXDGWQSQ-LDYMZIIASA-N 1 0 277.242 2.462 10 0 CEAERO C[C@@H]([NH3+])[C@H](OCc1ccc2c(c1)OCO2)C(F)(F)F ZINC000043384275 175031698 /nfs/dbraw/zinc/03/16/98/175031698.db2.gz WQFBFLZTGYXVOM-HQJQHLMTSA-N 1 0 277.242 2.210 10 0 CEAERO Cc1ncsc1CCO[C@@H]([C@H](C)[NH3+])C(F)(F)F ZINC000043384371 175031868 /nfs/dbraw/zinc/03/18/68/175031868.db2.gz HTNWKZQXSINZSY-RCOVLWMOSA-N 1 0 268.304 2.289 10 0 CEAERO C[C@H]([NH3+])[C@H](Oc1ccc2c(c1)OCO2)C(F)(F)F ZINC000043384526 175031871 /nfs/dbraw/zinc/03/18/71/175031871.db2.gz FVKGMDHXHJKWEL-WKEGUHRASA-N 1 0 263.215 2.072 10 0 CEAERO Cc1cnc(S[C@@H]([C@@H](C)[NH3+])C(F)(F)F)nc1 ZINC000043386477 175032258 /nfs/dbraw/zinc/03/22/58/175032258.db2.gz IPCDMOQHQLOBLM-RQJHMYQMSA-N 1 0 251.277 2.155 10 0 CEAERO Fc1cc(F)cc(-c2noc([C@H]3CCC[NH2+]C3)n2)c1 ZINC000043387495 175032888 /nfs/dbraw/zinc/03/28/88/175032888.db2.gz NXHIKNOWVVSIHY-QMMMGPOBSA-N 1 0 265.263 2.482 10 0 CEAERO CCC[C@H](C)N(C)c1nc2c(cc1C(N)=[NH2+])CCC2 ZINC000043406586 175037063 /nfs/dbraw/zinc/03/70/63/175037063.db2.gz NGRQDZBCWXKBNZ-JTQLQIEISA-N 1 0 260.385 2.479 10 0 CEAERO CCCCOC(=O)COc1ccccc1[C@@H](C)[NH3+] ZINC000043447207 175048722 /nfs/dbraw/zinc/04/87/22/175048722.db2.gz RCDYUJVBFDMETR-LLVKDONJSA-N 1 0 251.326 2.428 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCNC1=O)c1cc2c(s1)CCCC2 ZINC000658052595 415175950 /nfs/dbraw/zinc/17/59/50/415175950.db2.gz MNNQOKWFUXAURN-MWLCHTKSSA-N 1 0 264.394 2.166 10 0 CEAERO C[NH2+][C@@H](CN1CCOCC1)c1c(C)cc(C)cc1C ZINC000043808055 175108954 /nfs/dbraw/zinc/10/89/54/175108954.db2.gz ZAXIQJUDUOYFNY-HNNXBMFYSA-N 1 0 262.397 2.205 10 0 CEAERO C[NH2+][C@@H](CN1C[C@@H](C)O[C@@H](C)C1)c1ccc(OC)cc1 ZINC000043811324 175110124 /nfs/dbraw/zinc/11/01/24/175110124.db2.gz JQYVHSFZDLKNJH-ZENOOKHLSA-N 1 0 278.396 2.065 10 0 CEAERO CCOc1ccc([C@H](CN2C[C@@H](C)O[C@@H](C)C2)[NH2+]C)cc1 ZINC000043811360 175110249 /nfs/dbraw/zinc/11/02/49/175110249.db2.gz BBZKRSYCGOTOLK-VBQJREDUSA-N 1 0 292.423 2.455 10 0 CEAERO C[NH2+][C@@H](CN1CCO[C@@H](C)C1)c1cc2ccccc2o1 ZINC000043812526 175110747 /nfs/dbraw/zinc/11/07/47/175110747.db2.gz DLAPKSCGWZHNKD-JSGCOSHPSA-N 1 0 274.364 2.414 10 0 CEAERO CCCN(CCC)[C@H]1CC2(CC[C@H]1[NH2+]CC)OCCO2 ZINC000043814808 175111716 /nfs/dbraw/zinc/11/17/16/175111716.db2.gz BKFNAWOKNINSOG-CABCVRRESA-N 1 0 284.444 2.382 10 0 CEAERO CCC[NH2+][C@@H](CN(C)C)c1ccc(OC)c(OC)c1 ZINC000043816282 175112204 /nfs/dbraw/zinc/11/22/04/175112204.db2.gz QXIPJWABNRZMDX-ZDUSSCGKSA-N 1 0 266.385 2.306 10 0 CEAERO CCC[NH2+][C@H](CN(C)C)c1cc(OC)ccc1OC ZINC000043816237 175112568 /nfs/dbraw/zinc/11/25/68/175112568.db2.gz HDSHHECZTUMJKQ-CQSZACIVSA-N 1 0 266.385 2.306 10 0 CEAERO CC[NH2+][C@@H]1CCCC[C@@H]1N(C)CCc1ccccn1 ZINC000043818863 175113872 /nfs/dbraw/zinc/11/38/72/175113872.db2.gz PAMPGNXYHBQCES-CVEARBPZSA-N 1 0 261.413 2.477 10 0 CEAERO CCCN(C)C[C@@H]([NH2+]CC)c1ccc2c(c1)OCO2 ZINC000043886097 175116543 /nfs/dbraw/zinc/11/65/43/175116543.db2.gz UVPTWLZKVJGMPK-CYBMUJFWSA-N 1 0 264.369 2.408 10 0 CEAERO CC[NH2+][C@H]1CCC2(C[C@@H]1N(C)[C@@H](C)C(C)C)OCCO2 ZINC000043895593 175119560 /nfs/dbraw/zinc/11/95/60/175119560.db2.gz GZEKPLFGVMRXFH-KKUMJFAQSA-N 1 0 284.444 2.236 10 0 CEAERO CCC[NH2+][C@@H]1CCCC[C@H]1N1CCOC(C)(C)C1 ZINC000043898060 175120959 /nfs/dbraw/zinc/12/09/59/175120959.db2.gz DOQZFMUWSJHXBH-ZIAGYGMSSA-N 1 0 254.418 2.408 10 0 CEAERO C[NH2+][C@@H](c1ccccc1)[C@@H](C)N(C)C1CCOCC1 ZINC000043898114 175121407 /nfs/dbraw/zinc/12/14/07/175121407.db2.gz JMIFSMFZZDYMTH-CZUORRHYSA-N 1 0 262.397 2.446 10 0 CEAERO CCOc1ccccc1[C@H](CN1CCOC[C@@H]1CC)[NH2+]C ZINC000043898992 175121415 /nfs/dbraw/zinc/12/14/15/175121415.db2.gz BYVUQSBVHXLJAZ-HOCLYGCPSA-N 1 0 292.423 2.457 10 0 CEAERO CC[NH2+][C@H](CN(C)CC1CC1)c1ccc2c(c1)OCO2 ZINC000043905910 175122743 /nfs/dbraw/zinc/12/27/43/175122743.db2.gz DVTHKMPTUHGZKG-CQSZACIVSA-N 1 0 276.380 2.408 10 0 CEAERO C[NH2+][C@@H](CN1CCC[C@@H]1C)c1ccc2c(c1)OCO2 ZINC000043902542 175122826 /nfs/dbraw/zinc/12/28/26/175122826.db2.gz AMUHTPCPBDMHGR-AAEUAGOBSA-N 1 0 262.353 2.160 10 0 CEAERO CC[NH2+][C@H]1CCCC[C@@H]1N1CCC(OCC)CC1 ZINC000043907415 175123213 /nfs/dbraw/zinc/12/32/13/175123213.db2.gz WLCPKPSGXISEPN-GJZGRUSLSA-N 1 0 254.418 2.408 10 0 CEAERO CC[C@H]([C@@H]([NH2+]C)c1ccccc1)N(C)CCOC ZINC000043915579 175124938 /nfs/dbraw/zinc/12/49/38/175124938.db2.gz NAJQJODMXCLSKK-CABCVRRESA-N 1 0 250.386 2.304 10 0 CEAERO CCCOc1ccc([C@@H](CN(C)CCOC)[NH2+]C)cc1 ZINC000043915474 175125052 /nfs/dbraw/zinc/12/50/52/175125052.db2.gz PTWGKCBKQMNBNQ-MRXNPFEDSA-N 1 0 280.412 2.314 10 0 CEAERO C[NH2+][C@@H](c1ccc(OC)cc1)[C@@H](C)N1CCOCC1(C)C ZINC000043916772 175125444 /nfs/dbraw/zinc/12/54/44/175125444.db2.gz OSBXFEITKYEIBH-CZUORRHYSA-N 1 0 292.423 2.455 10 0 CEAERO C[NH2+][C@H]1CCCCCC[C@H]1N(C)C[C@@H]1CCCO1 ZINC000043965808 175127133 /nfs/dbraw/zinc/12/71/33/175127133.db2.gz ZSFMCUNNJPGJIQ-SOUVJXGZSA-N 1 0 254.418 2.408 10 0 CEAERO CC[NH2+][C@H]1CCCCC[C@H]1N(C)Cc1cnn(C)c1 ZINC000043967240 175128587 /nfs/dbraw/zinc/12/85/87/175128587.db2.gz GGBMLQOBSKLZKM-LSDHHAIUSA-N 1 0 264.417 2.163 10 0 CEAERO CCC[NH2+][C@H]1CCOC[C@H]1N(CC)Cc1ccncc1 ZINC000043968958 175130167 /nfs/dbraw/zinc/13/01/67/175130167.db2.gz FMKGQZQLTUBQLK-JKSUJKDBSA-N 1 0 277.412 2.061 10 0 CEAERO C[NH2+][C@H](c1ccccc1)[C@H](C)N(C)[C@@H](C)COC ZINC000043969027 175130851 /nfs/dbraw/zinc/13/08/51/175130851.db2.gz GSTJNXHUJPACAJ-YDHLFZDLSA-N 1 0 250.386 2.302 10 0 CEAERO C[NH2+][C@H]1c2ccccc2OC[C@@H]1N(CCOC)CC(C)C ZINC000043970313 175130910 /nfs/dbraw/zinc/13/09/10/175130910.db2.gz UKEWGFYPWUWHGB-RDJZCZTQSA-N 1 0 292.423 2.313 10 0 CEAERO CCC[NH2+][C@H]1CCCC[C@@H]1N(CCCOC)CCOC ZINC000043971098 175131740 /nfs/dbraw/zinc/13/17/40/175131740.db2.gz TXAWJHPGWJBNPZ-HOTGVXAUSA-N 1 0 286.460 2.282 10 0 CEAERO CCC[NH2+][C@H](CN(CCCOC)CCOC)C(C)(C)C ZINC000043971062 175131766 /nfs/dbraw/zinc/13/17/66/175131766.db2.gz IHADGKAACRFQDM-OAHLLOKOSA-N 1 0 288.476 2.386 10 0 CEAERO C[NH2+][C@H]1CCCCCC[C@@H]1N(CCCOC)CCOC ZINC000043970877 175131998 /nfs/dbraw/zinc/13/19/98/175131998.db2.gz VHBUWDMTJVWJHX-HOTGVXAUSA-N 1 0 286.460 2.282 10 0 CEAERO Cc1ccc([C@@H](O)C[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000044121047 175142544 /nfs/dbraw/zinc/14/25/44/175142544.db2.gz ONNAZDDPAWKPNT-INIZCTEOSA-N 1 0 262.397 2.054 10 0 CEAERO COCC[NH+](CCOC)C[C@H](O)c1c(C)cc(C)cc1C ZINC000044176906 175150128 /nfs/dbraw/zinc/15/01/28/175150128.db2.gz IOIBEPYYZVSBKD-INIZCTEOSA-N 1 0 295.423 2.240 10 0 CEAERO CCOC(=O)CC[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000044299244 175161397 /nfs/dbraw/zinc/16/13/97/175161397.db2.gz BIAKIJACKKYZKW-LLVKDONJSA-N 1 0 279.336 2.062 10 0 CEAERO Cc1nc(CN(C)C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cs1 ZINC000044609766 175216527 /nfs/dbraw/zinc/21/65/27/175216527.db2.gz KVDMZGALBBJVRH-XBFCOCLRSA-N 1 0 293.436 2.331 10 0 CEAERO C[C@@H](Oc1ccc2c(c1)CCC[C@@H]2[NH3+])C(=O)N1CCCC1 ZINC000044744896 175241376 /nfs/dbraw/zinc/24/13/76/175241376.db2.gz ZQGATFIUPGNCLS-WBMJQRKESA-N 1 0 288.391 2.412 10 0 CEAERO CC(C)(C)NC(=O)COc1ccc2c(c1)CCC[C@H]2[NH3+] ZINC000044745008 175241558 /nfs/dbraw/zinc/24/15/58/175241558.db2.gz UDRHOQGSPBYGRK-CQSZACIVSA-N 1 0 276.380 2.316 10 0 CEAERO CCC[NH2+][C@H]1CCCc2cc(O[C@@H](C)C(N)=O)ccc21 ZINC000044745758 175241888 /nfs/dbraw/zinc/24/18/88/175241888.db2.gz LNDADAVRWFKWEG-NHYWBVRUSA-N 1 0 276.380 2.316 10 0 CEAERO Oc1ccc2c(c1)CCC[C@@H]2[NH2+]CCN1CCCC1 ZINC000044746858 175242728 /nfs/dbraw/zinc/24/27/28/175242728.db2.gz YJBWPCPHWZELER-INIZCTEOSA-N 1 0 260.381 2.455 10 0 CEAERO [NH3+]CC1(C(=O)NCc2ccccc2F)CCCCC1 ZINC000044753293 175245642 /nfs/dbraw/zinc/24/56/42/175245642.db2.gz SQYVHRYXWMCZHP-UHFFFAOYSA-N 1 0 264.344 2.351 10 0 CEAERO COCCN(CC(C)C)C(=O)C1(C[NH3+])CCCCCC1 ZINC000044763934 175247701 /nfs/dbraw/zinc/24/77/01/175247701.db2.gz AQFAODXRPONZDX-UHFFFAOYSA-N 1 0 284.444 2.417 10 0 CEAERO CCC(CC)(C[NH3+])C(=O)N[C@H](C)CCc1ccco1 ZINC000044763873 175247710 /nfs/dbraw/zinc/24/77/10/175247710.db2.gz LPAXDUZUDHMVJC-GFCCVEGCSA-N 1 0 266.385 2.482 10 0 CEAERO CCCc1ccccc1NC(=O)C1(C[NH3+])CCOCC1 ZINC000044763826 175247725 /nfs/dbraw/zinc/24/77/25/175247725.db2.gz MNUAQCVDLSWZCU-UHFFFAOYSA-N 1 0 276.380 2.333 10 0 CEAERO CC1CCN(C(=O)[C@@H](C[NH3+])Cc2ccccc2)CC1 ZINC000044795203 175254474 /nfs/dbraw/zinc/25/44/74/175254474.db2.gz ZNNKJBHWHQGATK-OAHLLOKOSA-N 1 0 260.381 2.063 10 0 CEAERO [NH3+]C[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000044795266 175254761 /nfs/dbraw/zinc/25/47/61/175254761.db2.gz ZKLPFSQCXCNTRW-AWEZNQCLSA-N 1 0 260.381 2.253 10 0 CEAERO CC(C)[C@@H](C[NH3+])C(=O)Nc1ccc(F)c(F)c1F ZINC000044798377 175254973 /nfs/dbraw/zinc/25/49/73/175254973.db2.gz QKGKMIJNYUFMPA-SSDOTTSWSA-N 1 0 260.259 2.273 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)NCCCN(C)c1ccccc1 ZINC000044798188 175255095 /nfs/dbraw/zinc/25/50/95/175255095.db2.gz QRAXAXOSQQRNDW-CQSZACIVSA-N 1 0 277.412 2.004 10 0 CEAERO CCC(CC)N(C)C(=O)[C@H](C[NH3+])Cc1ccccc1 ZINC000044802026 175255375 /nfs/dbraw/zinc/25/53/75/175255375.db2.gz XOWGYHGUQLFMRM-AWEZNQCLSA-N 1 0 262.397 2.451 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000044801283 175255618 /nfs/dbraw/zinc/25/56/18/175255618.db2.gz NSFMVSHXOBWCGD-STQMWFEESA-N 1 0 270.417 2.215 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)NCCc1cccnc1 ZINC000044802810 175256178 /nfs/dbraw/zinc/25/61/78/175256178.db2.gz BWKHFQHCJXEZSB-UHFFFAOYSA-N 1 0 277.412 2.286 10 0 CEAERO CC[C@H](C)N(CCOC)C(=O)[C@H](C[NH3+])Cc1ccccc1 ZINC000044807645 175256917 /nfs/dbraw/zinc/25/69/17/175256917.db2.gz ABBHHUGVLICEPA-HOCLYGCPSA-N 1 0 292.423 2.078 10 0 CEAERO CCN(Cc1cccs1)[C@@](C)(C[NH3+])CCOC ZINC000045043497 175295521 /nfs/dbraw/zinc/29/55/21/175295521.db2.gz QEHLPFUVWXOXEY-CYBMUJFWSA-N 1 0 256.415 2.324 10 0 CEAERO C[NH2+][C@@H]1CCOC[C@@H]1n1ccnc1-c1cccs1 ZINC000045048122 175297134 /nfs/dbraw/zinc/29/71/34/175297134.db2.gz NDGFDELBEWKFLQ-MNOVXSKESA-N 1 0 263.366 2.161 10 0 CEAERO CC(C)c1ccc([C@@H](C)[NH2+]CCCS(N)(=O)=O)cc1 ZINC000045065048 175299378 /nfs/dbraw/zinc/29/93/78/175299378.db2.gz VCGMQSCSMOVARK-GFCCVEGCSA-N 1 0 284.425 2.139 10 0 CEAERO CC1(C)C[C@H]1[NH2+][C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000045117278 175311576 /nfs/dbraw/zinc/31/15/76/175311576.db2.gz QIIUGLYOYIGPTF-DGCLKSJQSA-N 1 0 265.378 2.293 10 0 CEAERO CC(C)[N@@H+]1CC[C@@H](CNc2cc3c(cc2N)OCCO3)C1 ZINC000045118588 175311632 /nfs/dbraw/zinc/31/16/32/175311632.db2.gz MLLBVGCROMANQE-LBPRGKRZSA-N 1 0 291.395 2.182 10 0 CEAERO CC(C)[N@@H+]1CC[C@H](Cn2c(N)cc3ccccc3c2=O)C1 ZINC000045136396 175314198 /nfs/dbraw/zinc/31/41/98/175314198.db2.gz BVYAOZZTFYYLTP-ZDUSSCGKSA-N 1 0 285.391 2.314 10 0 CEAERO Cc1nn(C)c(C)c1-c1c[nH]c(C2CCC([NH3+])CC2)n1 ZINC000045169541 175320008 /nfs/dbraw/zinc/32/00/08/175320008.db2.gz QWYGWVHPECGTNX-UHFFFAOYSA-N 1 0 273.384 2.412 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)[NH2+][C@H]1CCCc2c1cnn2C ZINC000045170830 175320252 /nfs/dbraw/zinc/32/02/52/175320252.db2.gz HGUVGTUFWFTIEE-YGRLFVJLSA-N 1 0 287.411 2.499 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@H]2CCOC2)c1C ZINC000045171521 175321271 /nfs/dbraw/zinc/32/12/71/175321271.db2.gz LPPAWTPONGJKIZ-GXFFZTMASA-N 1 0 251.374 2.207 10 0 CEAERO CCOC(=O)[C@](C)(C[N@@H+]1CCC[C@@H]1CC)NC(C)C ZINC000045221204 175330358 /nfs/dbraw/zinc/33/03/58/175330358.db2.gz NENBQCSQWBVIQE-ZFWWWQNUSA-N 1 0 270.417 2.181 10 0 CEAERO CCCC[N@H+](C)CC[C@@](C)(NC1CC1)C(=O)OCC ZINC000045222247 175330794 /nfs/dbraw/zinc/33/07/94/175330794.db2.gz QZBCQXHICZMYIY-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CCN(CC[C@@](C)([NH3+])C(N)=O)c1cccc2ccccc21 ZINC000045222933 175331051 /nfs/dbraw/zinc/33/10/51/175331051.db2.gz YDWNWMPCFVBFCV-QGZVFWFLSA-N 1 0 285.391 2.259 10 0 CEAERO CCN(CC[C@](C)([NH2+]C(C)C)C(N)=O)c1ccccc1C ZINC000045223105 175331306 /nfs/dbraw/zinc/33/13/06/175331306.db2.gz DZMYWIOXCPCTQR-KRWDZBQOSA-N 1 0 291.439 2.453 10 0 CEAERO CCOC(=O)[C@@](C)(C[N@H+]1C[C@H](C)C[C@H](C)C1)NC1CC1 ZINC000045224559 175332705 /nfs/dbraw/zinc/33/27/05/175332705.db2.gz KIPBRABMUFJBGL-DVOMOZLQSA-N 1 0 282.428 2.038 10 0 CEAERO COC(=O)[C@](C)(CC[NH+]1CCC(C)CC1)NC(C)C ZINC000045225575 175332888 /nfs/dbraw/zinc/33/28/88/175332888.db2.gz BSMYBLOHIGNBRR-HNNXBMFYSA-N 1 0 270.417 2.038 10 0 CEAERO CCOC(=O)[C@](C)(CC[N@H+](C)C(C)C)NC(C)C ZINC000045229681 175334423 /nfs/dbraw/zinc/33/44/23/175334423.db2.gz YPAUXKNSQAGJFV-AWEZNQCLSA-N 1 0 258.406 2.037 10 0 CEAERO CCN[C@](C)(C[N@H+]1[C@H](C)CCC[C@@H]1C)C(=O)OCC ZINC000045231776 175335592 /nfs/dbraw/zinc/33/55/92/175335592.db2.gz NZKOQDJDOUUKAB-VNHYZAJKSA-N 1 0 270.417 2.181 10 0 CEAERO CCCN[C@](C)(C[N@H+](CC)CC(C)C)C(=O)OCC ZINC000045264125 175337802 /nfs/dbraw/zinc/33/78/02/175337802.db2.gz NDWLKHYPTCZDIM-OAHLLOKOSA-N 1 0 272.433 2.286 10 0 CEAERO CC[N@H+](C[C@@](NC(C)C)(C(N)=O)c1ccccc1)C(C)C ZINC000045265427 175338557 /nfs/dbraw/zinc/33/85/57/175338557.db2.gz FOAZPPUBGGIULV-KRWDZBQOSA-N 1 0 291.439 2.096 10 0 CEAERO CCCN[C@](C)(C[N@H+](CC)[C@@H](C)CC)C(=O)OC ZINC000045266453 175339203 /nfs/dbraw/zinc/33/92/03/175339203.db2.gz WTPSCWVZWNRIFN-GXTWGEPZSA-N 1 0 258.406 2.038 10 0 CEAERO CCC[N@H+](CC[C@](C)(NC1CC1)C(=O)OC)C(C)C ZINC000045266979 175339395 /nfs/dbraw/zinc/33/93/95/175339395.db2.gz GZVZSCPNAQVUKH-HNNXBMFYSA-N 1 0 270.417 2.181 10 0 CEAERO CCCN[C@](C)(CC[N@H+](CCC)C1CC1)C(=O)OC ZINC000045268007 175339883 /nfs/dbraw/zinc/33/98/83/175339883.db2.gz KCNVAPFYPGKOIP-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CCCCC[N@H+](C)C[C@](C)(NCCC)C(=O)OCC ZINC000045268149 175340521 /nfs/dbraw/zinc/34/05/21/175340521.db2.gz ZPGWIZACOBWUPF-HNNXBMFYSA-N 1 0 272.433 2.430 10 0 CEAERO CCCCC[N@H+](C)C[C@](C)(NC1CC1)C(=O)OCC ZINC000045268174 175340684 /nfs/dbraw/zinc/34/06/84/175340684.db2.gz HNFKOGDZOMNTFQ-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CCCN[C@](C)(C[N@H+](C)C[C@@H](C)CC)C(=O)OCC ZINC000045268387 175341016 /nfs/dbraw/zinc/34/10/16/175341016.db2.gz ZOHONHHLMGMIRC-DZGCQCFKSA-N 1 0 272.433 2.286 10 0 CEAERO CCC(CC)[N@H+](C)CC[C@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000045269697 175341194 /nfs/dbraw/zinc/34/11/94/175341194.db2.gz DFYGOQAASSCWJH-AWEZNQCLSA-N 1 0 256.390 2.092 10 0 CEAERO CCCN[C@@](C)(C[N@H+](C)C(CC)CC)C(=O)OCC ZINC000045269652 175341579 /nfs/dbraw/zinc/34/15/79/175341579.db2.gz ATGKATDEWXBUJF-HNNXBMFYSA-N 1 0 272.433 2.428 10 0 CEAERO CCCN[C@@](C)(CC[N@H+](C)[C@@H](C)C1CC1)C(=O)OCC ZINC000045270350 175341858 /nfs/dbraw/zinc/34/18/58/175341858.db2.gz STDNSCBHAVPNHL-BBRMVZONSA-N 1 0 284.444 2.428 10 0 CEAERO CC(C)N[C@](C)(CC[N@H+](C)C1CCCCCC1)C(N)=O ZINC000045272017 175343139 /nfs/dbraw/zinc/34/31/39/175343139.db2.gz ZEUVRHPIVATGHI-MRXNPFEDSA-N 1 0 283.460 2.273 10 0 CEAERO COC(=O)[C@](C)(C[NH+](CC(C)C)CC(C)C)NC1CC1 ZINC000045273803 175344091 /nfs/dbraw/zinc/34/40/91/175344091.db2.gz VWONKCJHTXIKMI-INIZCTEOSA-N 1 0 284.444 2.284 10 0 CEAERO CCC[N@H+](CC1CC1)C[C@](C)(NC1CC1)C(=O)OCC ZINC000045276856 175346202 /nfs/dbraw/zinc/34/62/02/175346202.db2.gz HOCXFZKHHGTBHU-INIZCTEOSA-N 1 0 282.428 2.182 10 0 CEAERO CC(C)C[N@H+](CC[C@@](C)([NH2+]C(C)C)C(=O)[O-])C1CC1 ZINC000045277534 175347846 /nfs/dbraw/zinc/34/78/46/175347846.db2.gz KQTHASAXMGDCSP-OAHLLOKOSA-N 1 0 270.417 2.338 10 0 CEAERO COC(=O)[C@@](C)(C[N@H+](C)C1CCC(C)CC1)NC1CC1 ZINC000045280563 175350076 /nfs/dbraw/zinc/35/00/76/175350076.db2.gz XSXTUMWCBIUUCQ-LDZOIKDWSA-N 1 0 282.428 2.181 10 0 CEAERO CCOC(=O)[C@](C)(C[N@H+](CC(C)C)C(C)C)NC1CC1 ZINC000045280724 175350745 /nfs/dbraw/zinc/35/07/45/175350745.db2.gz XCJJWKUERJTXCO-INIZCTEOSA-N 1 0 284.444 2.427 10 0 CEAERO CC(C)[N@H+](CC[C@@](C)([NH2+]C1CC1)C(=O)[O-])CC1CC1 ZINC000045281017 175350842 /nfs/dbraw/zinc/35/08/42/175350842.db2.gz QLSUYGPTEUNUBF-OAHLLOKOSA-N 1 0 268.401 2.092 10 0 CEAERO CCOC(=O)[C@](C)(CCCC[N@@H+]1CCC[C@@H]1C)NC ZINC000045367776 175362880 /nfs/dbraw/zinc/36/28/80/175362880.db2.gz SXZAIVBUJVPABL-ZFWWWQNUSA-N 1 0 270.417 2.182 10 0 CEAERO CCCC[N@H+](C)CCC[C@@](C)(NC1CC1)C(=O)OC ZINC000045368419 175363585 /nfs/dbraw/zinc/36/35/85/175363585.db2.gz LZJMCGNAUPOXRB-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CC[NH2+][C@@](C)(CCCC[N@@H+]1CCCC[C@@H]1C)C(=O)[O-] ZINC000045376048 175366127 /nfs/dbraw/zinc/36/61/27/175366127.db2.gz JCCFXYWZJCQUON-ZFWWWQNUSA-N 1 0 270.417 2.484 10 0 CEAERO CC[NH2+][C@](C)(CCCCN(C)c1ccccc1)C(N)=O ZINC000045376567 175367265 /nfs/dbraw/zinc/36/72/65/175367265.db2.gz RLKNOTWXWOCLPZ-MRXNPFEDSA-N 1 0 277.412 2.147 10 0 CEAERO CC[NH2+][C@](C)(CCCN(CC)c1ccccc1)C(N)=O ZINC000045379945 175369365 /nfs/dbraw/zinc/36/93/65/175369365.db2.gz ZLVDTKALRGKIFY-MRXNPFEDSA-N 1 0 277.412 2.147 10 0 CEAERO CCC[N@H+](C)CCCC[C@](C)(NC)C(=O)OCC ZINC000045382154 175370214 /nfs/dbraw/zinc/37/02/14/175370214.db2.gz GQCGUCSAAIQWHW-AWEZNQCLSA-N 1 0 258.406 2.040 10 0 CEAERO CC[N@H+](CCCC[C@@](C)([NH2+]C)C(=O)[O-])CC(C)C ZINC000045381634 175370533 /nfs/dbraw/zinc/37/05/33/175370533.db2.gz JOHZMIPURMUAAX-CQSZACIVSA-N 1 0 258.406 2.197 10 0 CEAERO CCOC(=O)[C@@](C)(CCCC[N@H+](C)CC)NC1CC1 ZINC000045382773 175370648 /nfs/dbraw/zinc/37/06/48/175370648.db2.gz GVMXLDRVMNOVGF-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO COC(=O)[C@](C)(CCC[N@H+](C)[C@@H](C)C1CC1)NC1CC1 ZINC000045393078 175375527 /nfs/dbraw/zinc/37/55/27/175375527.db2.gz PGVYKJSGNIRRRA-LRDDRELGSA-N 1 0 282.428 2.181 10 0 CEAERO CCOC(=O)[C@H](C[N@H+](C)C1CCCCCC1)NC1CC1 ZINC000045419113 175377381 /nfs/dbraw/zinc/37/73/81/175377381.db2.gz ULCLDSZOQPHGGG-HNNXBMFYSA-N 1 0 282.428 2.325 10 0 CEAERO COC(=O)[C@@H](C[NH+](CC(C)C)CC(C)C)NC(C)C ZINC000045420374 175378465 /nfs/dbraw/zinc/37/84/65/175378465.db2.gz ODAAORDHAVRPNR-CQSZACIVSA-N 1 0 272.433 2.140 10 0 CEAERO CCCC[N@H+](C[C@@H](NCCC)C(=O)OCC)C1CC1 ZINC000045421704 175379792 /nfs/dbraw/zinc/37/97/92/175379792.db2.gz XYXJPPVQJYKFPG-CQSZACIVSA-N 1 0 270.417 2.182 10 0 CEAERO CCOc1c(C[NH2+]CCc2c[nH]cn2)cccc1OC ZINC000045946265 175387869 /nfs/dbraw/zinc/38/78/69/175387869.db2.gz LKXOCWUFVCUQDQ-UHFFFAOYSA-N 1 0 275.352 2.149 10 0 CEAERO Cc1cc(N2CCC[NH2+]CC2)nc(-c2ccccc2)n1 ZINC000045946998 175388077 /nfs/dbraw/zinc/38/80/77/175388077.db2.gz YEJVXBXYSRTNTK-UHFFFAOYSA-N 1 0 268.364 2.252 10 0 CEAERO CC(C)n1ccnc1C[N@@H+]1CCCC[C@H]1[C@@H](C)CO ZINC000661434002 415262119 /nfs/dbraw/zinc/26/21/19/415262119.db2.gz GJWYQZHLVPLIQY-KBPBESRZSA-N 1 0 265.401 2.447 10 0 CEAERO CN1C[C@H](C[NH2+][C@H]2CCCC[C@H]2C2CC2)CC1=O ZINC000658239774 415271108 /nfs/dbraw/zinc/27/11/08/415271108.db2.gz NTFPFOYQLGNWRF-UBHSHLNASA-N 1 0 250.386 2.023 10 0 CEAERO Cc1cc([C@H](C)[NH2+]C[C@@H]2CC(=O)N(C)C2)c(C)o1 ZINC000658241267 415274959 /nfs/dbraw/zinc/27/49/59/415274959.db2.gz CQYVULXBQPRABT-JQWIXIFHSA-N 1 0 250.342 2.025 10 0 CEAERO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1ccccc1Cl ZINC000658243739 415278575 /nfs/dbraw/zinc/27/85/75/415278575.db2.gz GGGVJTAJFQBUDN-QWRGUYRKSA-N 1 0 266.772 2.469 10 0 CEAERO CCc1ccc([C@H](C)[NH2+]C[C@@H]2CC(=O)N(C)C2)cc1 ZINC000658244513 415280471 /nfs/dbraw/zinc/28/04/71/415280471.db2.gz LOLQEIPTFJSPNC-JSGCOSHPSA-N 1 0 260.381 2.378 10 0 CEAERO CN1C[C@H](C[NH2+][C@H]2CCCc3sccc32)CC1=O ZINC000658244263 415280557 /nfs/dbraw/zinc/28/05/57/415280557.db2.gz KZTOXRAMRXGWPW-JQWIXIFHSA-N 1 0 264.394 2.193 10 0 CEAERO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1cccc(Cl)c1 ZINC000658244534 415280605 /nfs/dbraw/zinc/28/06/05/415280605.db2.gz LXSQYTGKRIMCNX-GHMZBOCLSA-N 1 0 266.772 2.469 10 0 CEAERO C[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@H](O)C2)[C@H]1CCO ZINC000661498560 415294095 /nfs/dbraw/zinc/29/40/95/415294095.db2.gz LXZRZGXBQRVUNL-KBXIAJHMSA-N 1 0 255.402 2.020 10 0 CEAERO C[C@@]1(C(=O)N2CCC[C@@H](OC3CCC3)C2)CCCC[NH2+]1 ZINC000655494619 415307002 /nfs/dbraw/zinc/30/70/02/415307002.db2.gz DUNXDJKTZRMLCX-ZBFHGGJFSA-N 1 0 280.412 2.079 10 0 CEAERO COc1ccc([C@H]2CC[NH2+][C@@H]2C)c(OC)c1OC ZINC000051954111 175528569 /nfs/dbraw/zinc/52/85/69/175528569.db2.gz KKYQGNHYBMCSBW-ZJUUUORDSA-N 1 0 251.326 2.178 10 0 CEAERO [NH3+]CCSCC(=O)Nc1cccc2ccccc21 ZINC000058249248 175613767 /nfs/dbraw/zinc/61/37/67/175613767.db2.gz ARCIDSKYUCMKAK-UHFFFAOYSA-N 1 0 260.362 2.470 10 0 CEAERO CCC[C@@]1(C(=O)Nc2ccc(OC)c(OC)c2)CC[NH2+]C1 ZINC000062888348 175676559 /nfs/dbraw/zinc/67/65/59/175676559.db2.gz IOJFMOSVXQZGLA-MRXNPFEDSA-N 1 0 292.379 2.422 10 0 CEAERO Cc1cc(C)cc(CNC(=O)C[C@H]2CCC[NH2+]C2)c1 ZINC000659345523 415533799 /nfs/dbraw/zinc/53/37/99/415533799.db2.gz MYRHOBDIXWXEFR-CQSZACIVSA-N 1 0 260.381 2.309 10 0 CEAERO CO[C@H](CNC(=O)[C@@H]1CCC[NH2+][C@H]1C)C1CCCCC1 ZINC000659385160 415555324 /nfs/dbraw/zinc/55/53/24/415555324.db2.gz VTQATTZKDBJECR-NWANDNLSSA-N 1 0 282.428 2.086 10 0 CEAERO COC[C@@H](C)Oc1cc(OC)ccc1C[NH2+]C1CC1 ZINC000070375569 175899444 /nfs/dbraw/zinc/89/94/44/175899444.db2.gz SXMLONQZPOHEJA-LLVKDONJSA-N 1 0 265.353 2.361 10 0 CEAERO C[C@@H]1CN([C@@H](C[NH3+])c2ccc3c(c2)CCO3)C[C@@H](C)S1 ZINC000070383020 175902872 /nfs/dbraw/zinc/90/28/72/175902872.db2.gz HWDSNFXJGRZSQJ-JMSVASOKSA-N 1 0 292.448 2.447 10 0 CEAERO C[NH2+]CCCc1c(C)nc([C@H]2C[C@H]3CC[C@@H]2O3)nc1C ZINC000070428424 175924044 /nfs/dbraw/zinc/92/40/44/175924044.db2.gz FVMVWIKPDSKJAB-SNPRPXQTSA-N 1 0 275.396 2.280 10 0 CEAERO CCC[NH2+]Cc1ccc(OCCOCCOC)c(OC)c1 ZINC000070480324 175952296 /nfs/dbraw/zinc/95/22/96/175952296.db2.gz NMRORSXEFJKHPE-UHFFFAOYSA-N 1 0 297.395 2.237 10 0 CEAERO CCC[NH2+][C@@](CO)(COc1ccccc1OC)C1CC1 ZINC000070518871 175965861 /nfs/dbraw/zinc/96/58/61/175965861.db2.gz SXCWPORHZIFYHS-INIZCTEOSA-N 1 0 279.380 2.215 10 0 CEAERO CC[NH2+][C@H](CO)CCSc1nc2cc(OC)ccc2[nH]1 ZINC000070520641 175966424 /nfs/dbraw/zinc/96/64/24/175966424.db2.gz LGXKXIXGPGNOQA-JTQLQIEISA-N 1 0 295.408 2.024 10 0 CEAERO Cc1ccc2c(c1C)N(C[C@@H](C)C[NH2+]C(C)C)C(=O)C2=O ZINC000070527370 175971558 /nfs/dbraw/zinc/97/15/58/175971558.db2.gz IARZTYDDIXIJTD-NSHDSACASA-N 1 0 288.391 2.467 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)NCCC1CCC(C)CC1 ZINC000070540187 175976553 /nfs/dbraw/zinc/97/65/53/175976553.db2.gz NPFPGXCWILCPEP-HHTDUIENSA-N 1 0 252.402 2.175 10 0 CEAERO Cc1ccnc(NC(=O)c2ccccc2CC[NH3+])c1 ZINC000070541587 175977321 /nfs/dbraw/zinc/97/73/21/175977321.db2.gz RGGSRRCOVCTOOD-UHFFFAOYSA-N 1 0 255.321 2.144 10 0 CEAERO C[C@H]([NH2+]CCC1CCC(C)CC1)C(=O)N1CCOCC1 ZINC000070548274 175979589 /nfs/dbraw/zinc/97/95/89/175979589.db2.gz ZCUGLPPIVTUGEP-SLTAFYQDSA-N 1 0 282.428 2.040 10 0 CEAERO [NH3+]C[C@@H]1CCO[C@H]1c1ccc(Br)cc1 ZINC000070674091 176000448 /nfs/dbraw/zinc/00/04/48/176000448.db2.gz CUYDADFBOQGJQN-ONGXEEELSA-N 1 0 256.143 2.485 10 0 CEAERO COc1ccc(Br)cc1[C@H]1OCC[C@H]1C[NH3+] ZINC000070674107 176000726 /nfs/dbraw/zinc/00/07/26/176000726.db2.gz TUVSEPNVKCYTJJ-UFBFGSQYSA-N 1 0 286.169 2.494 10 0 CEAERO [NH3+]Cc1ccn(Cc2ccc(F)cc2Br)n1 ZINC000070708214 176002666 /nfs/dbraw/zinc/00/26/66/176002666.db2.gz TZNXYHNGODRDDY-UHFFFAOYSA-N 1 0 284.132 2.292 10 0 CEAERO CC[C@H]([NH2+]C1CCS(=O)CC1)c1nccs1 ZINC000070717298 176003299 /nfs/dbraw/zinc/00/32/99/176003299.db2.gz AARYZBVFLPTYCO-MAXPVNGDSA-N 1 0 258.412 2.095 10 0 CEAERO Cc1ccc(OC[C@H]2C[NH2+]CCO2)c(Br)c1 ZINC000070834123 176007750 /nfs/dbraw/zinc/00/77/50/176007750.db2.gz JGFJYBCYZNUJGA-SNVBAGLBSA-N 1 0 286.169 2.125 10 0 CEAERO COc1ccc([C@@H](CNC(=O)c2ccc[nH]2)[NH+](C)C)cc1 ZINC000070877843 176009484 /nfs/dbraw/zinc/00/94/84/176009484.db2.gz OOHPMFQVMCGJHV-OAHLLOKOSA-N 1 0 287.363 2.056 10 0 CEAERO CC[C@](C)([NH3+])COc1ncccc1Br ZINC000070880400 176010296 /nfs/dbraw/zinc/01/02/96/176010296.db2.gz CTHNPLWFIKXPEI-JTQLQIEISA-N 1 0 259.147 2.350 10 0 CEAERO CCCN(c1ncccc1Br)[C@@H]1CC[NH2+]C1 ZINC000070903746 176011201 /nfs/dbraw/zinc/01/12/01/176011201.db2.gz QBZYJEXXVKKINW-SNVBAGLBSA-N 1 0 284.201 2.422 10 0 CEAERO CCC[NH2+][C@@H]1CCN([C@H](C)Cc2cccs2)C1=O ZINC000070940655 176014354 /nfs/dbraw/zinc/01/43/54/176014354.db2.gz LZACRJXGKNKXOW-DGCLKSJQSA-N 1 0 266.410 2.280 10 0 CEAERO [NH3+]CCN(C(=O)c1cc(F)c(F)c(F)c1)C1CCCC1 ZINC000070943516 176016334 /nfs/dbraw/zinc/01/63/34/176016334.db2.gz VVOBUSKOFULBFS-UHFFFAOYSA-N 1 0 286.297 2.447 10 0 CEAERO Cc1cc([C@@H]2[C@@H]([NH3+])CCC(=O)N2C2CC2)ccc1F ZINC000070987443 176018686 /nfs/dbraw/zinc/01/86/86/176018686.db2.gz JGJHLRYMKDCCFI-DZGCQCFKSA-N 1 0 262.328 2.287 10 0 CEAERO CC[NH2+][C@@H]1CCCN([C@@H](C)Cc2ccccc2)C1=O ZINC000071031351 176022566 /nfs/dbraw/zinc/02/25/66/176022566.db2.gz CVDJDMNGQVZGGP-DZGCQCFKSA-N 1 0 260.381 2.218 10 0 CEAERO C[C@H](c1ccccc1F)N1CC[C@@H]([NH2+]C2CC2)C1=O ZINC000071031905 176023117 /nfs/dbraw/zinc/02/31/17/176023117.db2.gz GLHPFHOVINUQGF-QMTHXVAHSA-N 1 0 262.328 2.240 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN([C@H](C)c2ccccc2F)C1=O ZINC000071031897 176023264 /nfs/dbraw/zinc/02/32/64/176023264.db2.gz FVADECIEARLDIV-BXUZGUMPSA-N 1 0 264.344 2.486 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCN1c1ccccc1Br ZINC000071032398 176023705 /nfs/dbraw/zinc/02/37/05/176023705.db2.gz MKWHDJLOHSYMBF-NSHDSACASA-N 1 0 295.180 2.306 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN(Cc2ccc(F)c(F)c2)C1=O ZINC000071034446 176024790 /nfs/dbraw/zinc/02/47/90/176024790.db2.gz PWLKQSBQCQOFPM-CYBMUJFWSA-N 1 0 268.307 2.064 10 0 CEAERO C[NH2+][C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000071036189 176025565 /nfs/dbraw/zinc/02/55/65/176025565.db2.gz RVQRVQRYZXKHAO-GFCCVEGCSA-N 1 0 286.297 2.416 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN(Cc2ccccc2Cl)C1=O ZINC000071037819 176026332 /nfs/dbraw/zinc/02/63/32/176026332.db2.gz FVMLVQOTXPAJCB-CYBMUJFWSA-N 1 0 266.772 2.439 10 0 CEAERO CCC[NH2+][C@@H]1CCCN([C@@H](C)c2ccncc2)C1=O ZINC000071040158 176027752 /nfs/dbraw/zinc/02/77/52/176027752.db2.gz CIWIHRMZQHNKET-GXTWGEPZSA-N 1 0 261.369 2.133 10 0 CEAERO CC[NH2+][C@@H]1CCCN(c2cc(F)c(F)c(F)c2)C1=O ZINC000071042886 176029227 /nfs/dbraw/zinc/02/92/27/176029227.db2.gz JUUIKXPEMJYLBN-LLVKDONJSA-N 1 0 272.270 2.209 10 0 CEAERO CC(C)[NH2+][C@@H]1CCCN(CCCOc2ccccc2)C1=O ZINC000071043214 176029459 /nfs/dbraw/zinc/02/94/59/176029459.db2.gz QEAHSJWKLDCKBS-MRXNPFEDSA-N 1 0 290.407 2.445 10 0 CEAERO CC[NH2+][C@H]1CCCN([C@H](C)Cc2cccs2)C1=O ZINC000071043827 176029737 /nfs/dbraw/zinc/02/97/37/176029737.db2.gz LVRHBKRQYVDBTI-YPMHNXCESA-N 1 0 266.410 2.280 10 0 CEAERO CC(C)CN(CC[NH3+])C[C@@H]1OCCc2ccccc21 ZINC000071091578 176032308 /nfs/dbraw/zinc/03/23/08/176032308.db2.gz SXNWJQAYPZQBOR-INIZCTEOSA-N 1 0 262.397 2.217 10 0 CEAERO CC[C@H]1CCC[C@](C[NH3+])(N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000071122585 176034762 /nfs/dbraw/zinc/03/47/62/176034762.db2.gz ZEAMSEUYUQTBOH-XGUBFFRZSA-N 1 0 254.418 2.393 10 0 CEAERO CCOC(=O)[C@]1(NCC[NH+](C)C)CCC[C@H](CC)C1 ZINC000071126009 176035739 /nfs/dbraw/zinc/03/57/39/176035739.db2.gz WSGUIIVJCYAPIS-ZFWWWQNUSA-N 1 0 270.417 2.040 10 0 CEAERO CN1C(=O)Cc2ccc([C@H]([NH3+])C3CCCCC3)cc2C1=O ZINC000071139419 176037864 /nfs/dbraw/zinc/03/78/64/176037864.db2.gz GIZVWNGOWMCVMF-MRXNPFEDSA-N 1 0 286.375 2.421 10 0 CEAERO CC[NH2+][C@H](c1ccc2c(c1)C(=O)N(C)C(=O)C2)C(C)C ZINC000071139500 176037901 /nfs/dbraw/zinc/03/79/01/176037901.db2.gz YJVIQXBENXTUFQ-HNNXBMFYSA-N 1 0 274.364 2.148 10 0 CEAERO CC[C@@H]1CCCC[C@@]1(C[NH3+])N1CCOC(C)(C)C1 ZINC000071161679 176046861 /nfs/dbraw/zinc/04/68/61/176046861.db2.gz YHGFTGBQXCWXIA-HIFRSBDPSA-N 1 0 254.418 2.395 10 0 CEAERO Cc1cccc(CSc2cnc(C(N)=[NH2+])cn2)c1 ZINC000071180574 176056649 /nfs/dbraw/zinc/05/66/49/176056649.db2.gz FUMZMJPMQDKLSX-UHFFFAOYSA-N 1 0 258.350 2.361 10 0 CEAERO CC[NH2+][C@@H](C)CCc1ccc(O[C@H]2CCN(C)C2=O)cc1 ZINC000071182930 176058206 /nfs/dbraw/zinc/05/82/06/176058206.db2.gz KPGVNMPHRRPCIB-BBRMVZONSA-N 1 0 290.407 2.227 10 0 CEAERO CN(C[C@H]1CC[N@H+](C)C1)c1ccc(Cl)cc1C[NH3+] ZINC000071187552 176060502 /nfs/dbraw/zinc/06/05/02/176060502.db2.gz ZHORSNIRNMAIKV-NSHDSACASA-N 1 0 267.804 2.187 10 0 CEAERO CN(C[C@H]1CC[N@H+](C)C1)c1cc(CO)c2ccccc2n1 ZINC000071190279 176067200 /nfs/dbraw/zinc/06/72/00/176067200.db2.gz QEHHMTCNNSRNLB-ZDUSSCGKSA-N 1 0 285.391 2.115 10 0 CEAERO CCC[NH2+][C@H]1CCCN(Cc2ccnc(OC)c2)C1 ZINC000071200131 176077188 /nfs/dbraw/zinc/07/71/88/176077188.db2.gz DXAVSKHKKXSGSQ-AWEZNQCLSA-N 1 0 263.385 2.054 10 0 CEAERO CC(C)[NH2+][C@H]1CCN(CCc2ccccc2F)C1 ZINC000071198511 176077285 /nfs/dbraw/zinc/07/72/85/176077285.db2.gz JJKGDEDAZGTAEA-AWEZNQCLSA-N 1 0 250.361 2.441 10 0 CEAERO CCOC(=O)c1ncsc1NC[C@@H]1CC[N@H+](CC)C1 ZINC000071201877 176078085 /nfs/dbraw/zinc/07/80/85/176078085.db2.gz PPJSKFNSOJTTJI-JTQLQIEISA-N 1 0 283.397 2.074 10 0 CEAERO COc1nc(N(C)C)sc1C[NH2+][C@H]1CCC[C@H]1C ZINC000071206398 176079893 /nfs/dbraw/zinc/07/98/93/176079893.db2.gz ILBFCSMBMFZPOG-ZJUUUORDSA-N 1 0 269.414 2.496 10 0 CEAERO COCCN(CCC[NH3+])C(=O)C[C@@H](C)CC(C)(C)C ZINC000071222988 176087992 /nfs/dbraw/zinc/08/79/92/176087992.db2.gz MZGODTYMFKLDBS-CYBMUJFWSA-N 1 0 272.433 2.273 10 0 CEAERO COCC[N@H+](CCC(N)=S)Cc1ccc(C)cc1 ZINC000071226161 176089863 /nfs/dbraw/zinc/08/98/63/176089863.db2.gz XJHWRFOPUAZPFV-UHFFFAOYSA-N 1 0 266.410 2.120 10 0 CEAERO COCCN(CCC(N)=[NH2+])Cc1ccc2ccccc2n1 ZINC000071229185 176091158 /nfs/dbraw/zinc/09/11/58/176091158.db2.gz LTLSPMDFLXWKTN-UHFFFAOYSA-N 1 0 286.379 2.009 10 0 CEAERO COCCN(CCC(N)=[NH2+])c1ccc2ccccc2n1 ZINC000071229308 176091385 /nfs/dbraw/zinc/09/13/85/176091385.db2.gz ZSNJYOOSOZJOFB-UHFFFAOYSA-N 1 0 272.352 2.014 10 0 CEAERO CC[C@@H]1CO[C@H](C)CN1Cc1ccc(F)cc1C[NH3+] ZINC000071250543 176094874 /nfs/dbraw/zinc/09/48/74/176094874.db2.gz AKGBGQSFIGVNTO-IAQYHMDHSA-N 1 0 266.360 2.284 10 0 CEAERO CCOC1CC[NH+](Cc2ccc(F)cc2C(N)=S)CC1 ZINC000071265869 176099022 /nfs/dbraw/zinc/09/90/22/176099022.db2.gz PLMXHVYVUWOLJW-UHFFFAOYSA-N 1 0 296.411 2.461 10 0 CEAERO NC(=[NH2+])c1cc(F)ccc1COC[C@H]1CCCCO1 ZINC000071268196 176101739 /nfs/dbraw/zinc/10/17/39/176101739.db2.gz AAYUWOIPISADFQ-GFCCVEGCSA-N 1 0 266.316 2.195 10 0 CEAERO CCOC(=O)CCCCC[NH2+]C[C@@H]1CCCCO1 ZINC000071293896 176111479 /nfs/dbraw/zinc/11/14/79/176111479.db2.gz IRBBLIVFASCBFC-ZDUSSCGKSA-N 1 0 257.374 2.269 10 0 CEAERO CCCN(CCCCCC(=O)OCC)[C@@H]1CC[NH2+]C1 ZINC000071297800 176112425 /nfs/dbraw/zinc/11/24/25/176112425.db2.gz DKLUUVGXUGEWBE-CQSZACIVSA-N 1 0 270.417 2.184 10 0 CEAERO CC(C)c1ccc([C@H](O)C[NH2+]C[C@@H](O)C2CC2)cc1 ZINC000071306076 176115575 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ZINC000071331742 176125355 /nfs/dbraw/zinc/12/53/55/176125355.db2.gz RMYTYFURHPSOAW-MRXNPFEDSA-N 1 0 293.455 2.367 10 0 CEAERO C[C@@H](C[NH+]1CCCCC1)NC1CN(C(=O)OC(C)(C)C)C1 ZINC000071335706 176127042 /nfs/dbraw/zinc/12/70/42/176127042.db2.gz KXGRRCMUIJOCQV-ZDUSSCGKSA-N 1 0 297.443 2.070 10 0 CEAERO C[C@H]1CCC[NH2+][C@H]1CNC(=O)c1cc(F)cc(F)c1 ZINC000071338619 176129040 /nfs/dbraw/zinc/12/90/40/176129040.db2.gz QYANOIDWSCXQRP-ZANVPECISA-N 1 0 268.307 2.083 10 0 CEAERO CC1(C)CN(Cc2cn3ccccc3n2)[C@H](C2CC2)C[NH2+]1 ZINC000071342824 176130443 /nfs/dbraw/zinc/13/04/43/176130443.db2.gz XPDSURXSRHKQIM-HNNXBMFYSA-N 1 0 284.407 2.297 10 0 CEAERO CC1(C)C[N@H+](CCCOCC(F)(F)F)[C@@H](C2CC2)CN1 ZINC000071342805 176130527 /nfs/dbraw/zinc/13/05/27/176130527.db2.gz CCGUCRDMMMCAAQ-GFCCVEGCSA-N 1 0 294.361 2.418 10 0 CEAERO CC[C@@H]1C[N@H+](C[C@@H]2CCOC2)[C@H](c2ccccc2)CN1 ZINC000071344467 176131216 /nfs/dbraw/zinc/13/12/16/176131216.db2.gz FFVDILNLZBOLTM-UAGQMJEPSA-N 1 0 274.408 2.448 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1C[C@@H]1CCCCO1 ZINC000071345905 176131802 /nfs/dbraw/zinc/13/18/02/176131802.db2.gz ZGKXTGHCODBYDU-HZSPNIEDSA-N 1 0 254.418 2.264 10 0 CEAERO CC(C)(C)[C@H]1CN(Cc2ncccn2)[C@](C)(C2CC2)C[NH2+]1 ZINC000071349120 176132386 /nfs/dbraw/zinc/13/23/86/176132386.db2.gz DQLXIGFCADZPSY-PBHICJAKSA-N 1 0 288.439 2.465 10 0 CEAERO CC[C@]1(C)C[NH2+][C@H](C(C)(C)C)CN1CCOCCOC ZINC000071348579 176133074 /nfs/dbraw/zinc/13/30/74/176133074.db2.gz VBMGRSUGVPGEKM-GOEBONIOSA-N 1 0 286.460 2.138 10 0 CEAERO COCCOCCN1CC2(CCCC2)[NH2+]C[C@]1(C)C1CC1 ZINC000071359203 176137487 /nfs/dbraw/zinc/13/74/87/176137487.db2.gz FGCZFYKNLBFFGY-MRXNPFEDSA-N 1 0 296.455 2.036 10 0 CEAERO C[C@H]1C[NH2+]C2(CCCCC2)CN1CCCn1ccnc1 ZINC000071359254 176138064 /nfs/dbraw/zinc/13/80/64/176138064.db2.gz IECJOTMUKKATPJ-HNNXBMFYSA-N 1 0 276.428 2.270 10 0 CEAERO COc1ccc(Cl)cc1CSc1nnc(C[NH3+])n1C ZINC000071373859 176138840 /nfs/dbraw/zinc/13/88/40/176138840.db2.gz DRPJVQRUQDBIPF-UHFFFAOYSA-N 1 0 298.799 2.228 10 0 CEAERO [NH3+]Cc1nnc(SCc2cccs2)n1C1CC1 ZINC000071375713 176140750 /nfs/dbraw/zinc/14/07/50/176140750.db2.gz GWOXRCZVQBVDEP-UHFFFAOYSA-N 1 0 266.395 2.426 10 0 CEAERO CCOC(=O)[C@@](C)(C1CCCCC1)N1CCC[NH2+]CC1 ZINC000071399834 176152145 /nfs/dbraw/zinc/15/21/45/176152145.db2.gz HCQJTQAWKACYGA-MRXNPFEDSA-N 1 0 282.428 2.184 10 0 CEAERO CN(C[C@H]1CCCO1)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000071401138 176153412 /nfs/dbraw/zinc/15/34/12/176153412.db2.gz AEPWLZDKQQCWNJ-CABCVRRESA-N 1 0 276.380 2.104 10 0 CEAERO CC[NH2+]Cc1cc(C)ccc1OCC(=O)OC(C)C ZINC000071403770 176155103 /nfs/dbraw/zinc/15/51/03/176155103.db2.gz FHIUPFRPMFSOBQ-UHFFFAOYSA-N 1 0 265.353 2.435 10 0 CEAERO CCCNC(=O)[C@@H](C)Oc1ccc(C)cc1C[NH2+]C ZINC000071403664 176155165 /nfs/dbraw/zinc/15/51/65/176155165.db2.gz DNQZBAMUCFDEBG-GFCCVEGCSA-N 1 0 264.369 2.008 10 0 CEAERO CC[NH2+]Cc1cc(C)ccc1OCC(=O)NCC(C)C ZINC000071406091 176155709 /nfs/dbraw/zinc/15/57/09/176155709.db2.gz FSVXNFBSQVXKCO-UHFFFAOYSA-N 1 0 278.396 2.256 10 0 CEAERO Cc1ccc(O[C@@H]2CCS(=O)(=O)C2)c(C[NH2+]C(C)C)c1 ZINC000071406457 176155963 /nfs/dbraw/zinc/15/59/63/176155963.db2.gz MRHOOOCGRCSZAS-CQSZACIVSA-N 1 0 297.420 2.059 10 0 CEAERO Cc1ccc(O[C@@H](C)C(=O)NCC(C)C)c(C[C@@H](C)[NH3+])c1 ZINC000071411691 176157015 /nfs/dbraw/zinc/15/70/15/176157015.db2.gz ZGBCUOLGOIKELE-KGLIPLIRSA-N 1 0 292.423 2.424 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc(C)ccc1OCC(=O)N(C)C1CC1 ZINC000071412143 176157622 /nfs/dbraw/zinc/15/76/22/176157622.db2.gz KTULJECXOLUSQU-CQSZACIVSA-N 1 0 290.407 2.274 10 0 CEAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1CCCc2ccccc21 ZINC000071412884 176158054 /nfs/dbraw/zinc/15/80/54/176158054.db2.gz MBZDNRFNEDAFCS-MAZHCROVSA-N 1 0 272.392 2.221 10 0 CEAERO C[NH2+][C@@H](CCO)c1ccc(Br)s1 ZINC000071571740 176197473 /nfs/dbraw/zinc/19/74/73/176197473.db2.gz XYIQBIFYAZLDPN-LURJTMIESA-N 1 0 250.161 2.154 10 0 CEAERO CC[NH2+]CCS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000071576818 176204616 /nfs/dbraw/zinc/20/46/16/176204616.db2.gz QGDSLXLNGQLGAV-UHFFFAOYSA-N 1 0 255.383 2.193 10 0 CEAERO O=C1C[NH2+]CCCN1Cc1ccc(Cl)c(Cl)c1 ZINC000071612522 176232617 /nfs/dbraw/zinc/23/26/17/176232617.db2.gz UDRMWQHPJBWNJW-UHFFFAOYSA-N 1 0 273.163 2.315 10 0 CEAERO [NH3+]CCc1cn(Cc2ccc(Br)cc2)cn1 ZINC000071630713 176236524 /nfs/dbraw/zinc/23/65/24/176236524.db2.gz XIBFZTNUYWQRQT-UHFFFAOYSA-N 1 0 280.169 2.195 10 0 CEAERO CN(c1cnn(Cc2ccccc2)c1)C1CC[NH+](C)CC1 ZINC000071711317 176248496 /nfs/dbraw/zinc/24/84/96/176248496.db2.gz ZBQYJLAREPGWAK-UHFFFAOYSA-N 1 0 284.407 2.462 10 0 CEAERO CC[N@@H+]1CCC[C@](C)(C(=O)N2CC(c3ccccn3)C2)C1 ZINC000072134384 176322119 /nfs/dbraw/zinc/32/21/19/176322119.db2.gz VCWMBGSGIWYHLE-KRWDZBQOSA-N 1 0 287.407 2.129 10 0 CEAERO [NH3+][C@@H](CO)c1ccc(Br)c(Br)c1 ZINC000072199732 176341357 /nfs/dbraw/zinc/34/13/57/176341357.db2.gz ZKWRVFQEEWTNFS-QMMMGPOBSA-N 1 0 294.974 2.204 10 0 CEAERO COc1ccc([C@H]2Cc3n[nH]c(C)c3[C@H]([NH3+])C2)cc1OC ZINC000072415418 176399775 /nfs/dbraw/zinc/39/97/75/176399775.db2.gz NUVJZRAIFHMHDR-VXGBXAGGSA-N 1 0 287.363 2.465 10 0 CEAERO OCC[C@@H]1CCCC[N@@H+]1Cc1cnc2ccccc2n1 ZINC000659879955 415757352 /nfs/dbraw/zinc/75/73/52/415757352.db2.gz ZOGDCYCYHMLJHP-AWEZNQCLSA-N 1 0 271.364 2.367 10 0 CEAERO [NH3+]CC12CC(C1)CN2c1cccc(C(F)(F)F)n1 ZINC000656611151 415786856 /nfs/dbraw/zinc/78/68/56/415786856.db2.gz XPCINBWLOMLZRH-UHFFFAOYSA-N 1 0 257.259 2.028 10 0 CEAERO [NH3+]CC12CC(C1)CN2c1ncccc1C(F)(F)F ZINC000656611689 415787559 /nfs/dbraw/zinc/78/75/59/415787559.db2.gz GHNUIGJDEBKOES-UHFFFAOYSA-N 1 0 257.259 2.028 10 0 CEAERO CC[C@H](C)CC[NH2+]C[C@@H](O)COCc1ccco1 ZINC000656704205 415826013 /nfs/dbraw/zinc/82/60/13/415826013.db2.gz HEJIBIODVFTQQG-QWHCGFSZSA-N 1 0 255.358 2.183 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@H](OC)C1CCC1 ZINC000660108874 415884502 /nfs/dbraw/zinc/88/45/02/415884502.db2.gz HIFDUKMDZZCWBP-OAGGEKHMSA-N 1 0 266.429 2.360 10 0 CEAERO O=C(CC[NH+]1CCCC1)NCCc1ccc(Cl)cc1 ZINC000074693632 176600215 /nfs/dbraw/zinc/60/02/15/176600215.db2.gz KRUWPCHOBGCJIQ-UHFFFAOYSA-N 1 0 280.799 2.485 10 0 CEAERO COc1cc(C[NH2+][C@H](C)[C@H]2CCCO2)cc2c1OCO2 ZINC000075782799 176783687 /nfs/dbraw/zinc/78/36/87/176783687.db2.gz CVFJPGCHJBENBA-ZYHUDNBSSA-N 1 0 279.336 2.081 10 0 CEAERO [NH3+]CC1(C(=O)Nc2cccc(Cl)c2)CCOCC1 ZINC000076400568 177016835 /nfs/dbraw/zinc/01/68/35/177016835.db2.gz UADDDWYNJJBPEF-UHFFFAOYSA-N 1 0 268.744 2.034 10 0 CEAERO COc1ccccc1OC[C@H](C[NH3+])c1ccccn1 ZINC000076666150 177051023 /nfs/dbraw/zinc/05/10/23/177051023.db2.gz XWAYUNCZAHQYFQ-LBPRGKRZSA-N 1 0 258.321 2.212 10 0 CEAERO Cc1ccc(C)c([C@H](CCC[NH3+])C(=O)NC2CC2)c1 ZINC000076671110 177053856 /nfs/dbraw/zinc/05/38/56/177053856.db2.gz CTQZMMKOZVZPPE-AWEZNQCLSA-N 1 0 260.381 2.405 10 0 CEAERO Cc1ncc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000076722863 177070494 /nfs/dbraw/zinc/07/04/94/177070494.db2.gz ZZPPYLIFMCIUTC-HNNXBMFYSA-N 1 0 268.364 2.471 10 0 CEAERO CC(C)C[C@@H](C)N(C)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000078538932 177351895 /nfs/dbraw/zinc/35/18/95/177351895.db2.gz BFLUJTVMSSMMRA-CHWSQXEVSA-N 1 0 252.402 2.269 10 0 CEAERO COC(=O)c1ccc(NC(=O)CC[C@H](C)CC[NH3+])c(C)c1 ZINC000079117849 177436301 /nfs/dbraw/zinc/43/63/01/177436301.db2.gz HHSOXCFLKKVPFL-NSHDSACASA-N 1 0 292.379 2.485 10 0 CEAERO C[C@H](CC[NH3+])CCC(=O)NCc1cc(F)ccc1F ZINC000079120140 177438186 /nfs/dbraw/zinc/43/81/86/177438186.db2.gz KJPXZYXUZXJZCB-JTQLQIEISA-N 1 0 270.323 2.346 10 0 CEAERO CC[C@@H](CC[NH3+])CCC(=O)N[C@@H]1CCCc2c1cnn2C ZINC000079209129 177446699 /nfs/dbraw/zinc/44/66/99/177446699.db2.gz GYZFSIYISJSQMU-TZMCWYRMSA-N 1 0 292.427 2.069 10 0 CEAERO CC[C@@H](CC[NH3+])CCC(=O)N1CCc2ncccc2C1 ZINC000079209271 177446773 /nfs/dbraw/zinc/44/67/73/177446773.db2.gz FSGSRNWOBSTPNP-CYBMUJFWSA-N 1 0 275.396 2.122 10 0 CEAERO CCC[C@H](CC[NH3+])CCC(=O)N1CCCO[C@@H](C)C1 ZINC000079241902 177454533 /nfs/dbraw/zinc/45/45/33/177454533.db2.gz USKIVLXHFRJPIM-KBPBESRZSA-N 1 0 270.417 2.169 10 0 CEAERO CC(C)[C@H](CC[NH3+])CCC(=O)OC[C@H]1CCCO1 ZINC000079251927 177458223 /nfs/dbraw/zinc/45/82/23/177458223.db2.gz HMWASEXZRJKUAG-QWHCGFSZSA-N 1 0 257.374 2.110 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](CN2CCC[C@H](C(C)C)CC2)C1 ZINC000079355709 177471326 /nfs/dbraw/zinc/47/13/26/177471326.db2.gz FVRMJDQZGASCMO-KKUMJFAQSA-N 1 0 254.418 2.121 10 0 CEAERO C[C@@]1(C(=O)Nc2nc3ccccc3s2)CCC[NH2+]1 ZINC000079511128 177510424 /nfs/dbraw/zinc/51/04/24/177510424.db2.gz DLHRTWLSPDBLIJ-ZDUSSCGKSA-N 1 0 261.350 2.377 10 0 CEAERO CCC1CCC(CNC(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC000079518575 177513053 /nfs/dbraw/zinc/51/30/53/177513053.db2.gz XMVMDKZHVQLHQD-SSDMNJCBSA-N 1 0 252.402 2.461 10 0 CEAERO C[C@@H](NC(=O)[C@]1(C)CCC[NH2+]1)c1ccc(F)cc1 ZINC000079519460 177513723 /nfs/dbraw/zinc/51/37/23/177513723.db2.gz UEMZMKPMEYKGAA-YGRLFVJLSA-N 1 0 250.317 2.145 10 0 CEAERO NC(=[NH2+])c1ccc(CNC(=O)Nc2ccccc2)c(F)c1 ZINC000079779108 177557246 /nfs/dbraw/zinc/55/72/46/177557246.db2.gz LKUXNQWHEZFRKW-UHFFFAOYSA-N 1 0 286.310 2.431 10 0 CEAERO CCCN(C(=O)c1c[nH]nc1C)c1ccc(C[NH3+])cc1 ZINC000080038978 177600016 /nfs/dbraw/zinc/60/00/16/177600016.db2.gz KCTNHUQXXKGPPR-UHFFFAOYSA-N 1 0 272.352 2.234 10 0 CEAERO CCC(CC)(CO)[NH2+]CCOc1ccc(OC)cc1 ZINC000080108812 177610193 /nfs/dbraw/zinc/61/01/93/177610193.db2.gz GXEGUBRVXKKBDB-UHFFFAOYSA-N 1 0 267.369 2.215 10 0 CEAERO C[NH2+][C@@H]1CCO[C@](C)(Cc2ccc(OC)c(OC)c2)C1 ZINC000080184941 177620108 /nfs/dbraw/zinc/62/01/08/177620108.db2.gz WEYDOKJFEKJOQN-CZUORRHYSA-N 1 0 279.380 2.403 10 0 CEAERO C[C@@H]1CCC[C@@H](C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000172907794 287371206 /nfs/dbraw/zinc/37/12/06/287371206.db2.gz PVEZGSMALRBTQV-MGPQQGTHSA-N 1 0 250.386 2.119 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCC2(CC2(F)F)CC1 ZINC000405090897 419401786 /nfs/dbraw/zinc/40/17/86/419401786.db2.gz SWFZBZVJHVQQMM-WDEREUQCSA-N 1 0 272.339 2.022 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)NCc1ccc(Br)cc1 ZINC000136304419 419443594 /nfs/dbraw/zinc/44/35/94/419443594.db2.gz SCCFZHVGIUCXEM-LBPRGKRZSA-N 1 0 299.212 2.439 10 0 CEAERO CCN(CC)c1ccc(NC(=O)C[C@@H]([NH3+])C(C)C)cn1 ZINC000136340953 419443667 /nfs/dbraw/zinc/44/36/67/419443667.db2.gz GMCHJIYWXZFQRD-CYBMUJFWSA-N 1 0 278.400 2.240 10 0 CEAERO Cc1nc(-c2cccc(NC(=O)C[C@@H]([NH3+])C(C)C)c2)n[nH]1 ZINC000136371069 419447000 /nfs/dbraw/zinc/44/70/00/419447000.db2.gz HVYHGFQPUMOQOR-CYBMUJFWSA-N 1 0 287.367 2.092 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)N1CC[C@H](c2ccccc2)C1 ZINC000136449597 419447268 /nfs/dbraw/zinc/44/72/68/419447268.db2.gz NMEYSHQKCPLXCB-GJZGRUSLSA-N 1 0 260.381 2.376 10 0 CEAERO CCC[C@H](C)[NH+]1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000187683302 270255199 /nfs/dbraw/zinc/25/51/99/270255199.db2.gz ZHDSKSXGXXNTEJ-ZDUSSCGKSA-N 1 0 278.444 2.343 10 0 CEAERO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)C[C@H]1CCSC1 ZINC000494936355 262273628 /nfs/dbraw/zinc/27/36/28/262273628.db2.gz ZPANRGPRZKWAHQ-WDEREUQCSA-N 1 0 259.415 2.402 10 0 CEAERO CCC[C@@H](C(=O)NCCc1cc(C)c(O)c(C)c1)[NH+](C)C ZINC000188745196 270257740 /nfs/dbraw/zinc/25/77/40/270257740.db2.gz QVKMDGORTSPUPI-HNNXBMFYSA-N 1 0 292.423 2.398 10 0 CEAERO COC1CCC([NH2+][C@H](CO)Cc2ccc(C)cc2)CC1 ZINC000191579314 270273412 /nfs/dbraw/zinc/27/34/12/270273412.db2.gz SVKNBZGBBHQBJM-CGZBRXJRSA-N 1 0 277.408 2.446 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(F)cc2OC)C1 ZINC000194335386 270296869 /nfs/dbraw/zinc/29/68/69/270296869.db2.gz FRAMVDLDTSWNIO-LBPRGKRZSA-N 1 0 295.358 2.440 10 0 CEAERO CC[NH+](CC)CCCNC(=O)N[C@@H]1COc2ccccc21 ZINC000195194230 270306620 /nfs/dbraw/zinc/30/66/20/270306620.db2.gz ZOEXWWLACNEUNK-CQSZACIVSA-N 1 0 291.395 2.151 10 0 CEAERO C[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1CCCC[C@H]1O ZINC000309776466 270333040 /nfs/dbraw/zinc/33/30/40/270333040.db2.gz CJZVOXFXAWPLFP-DJIMGWMZSA-N 1 0 276.424 2.400 10 0 CEAERO O[C@H](C[NH2+]C[C@@H]1CCCC1(F)F)COCc1ccco1 ZINC000390888587 270340150 /nfs/dbraw/zinc/34/01/50/270340150.db2.gz ZTTZJXXSPJOPMP-NWDGAFQWSA-N 1 0 289.322 2.182 10 0 CEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CC/C=C\c1ccccc1 ZINC000392927453 270341374 /nfs/dbraw/zinc/34/13/74/270341374.db2.gz DEGZQZUSRUOPLV-RJZSHDOTSA-N 1 0 258.365 2.347 10 0 CEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC000392863317 270341440 /nfs/dbraw/zinc/34/14/40/270341440.db2.gz KYRFAZWYCREXHY-NHYWBVRUSA-N 1 0 258.365 2.321 10 0 CEAERO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000392917383 270341443 /nfs/dbraw/zinc/34/14/43/270341443.db2.gz GVQFIIFTCXEMQH-MROQNXINSA-N 1 0 252.402 2.458 10 0 CEAERO Fc1ccc(Br)c(CNC[C@H]2CC[NH2+]C2)c1 ZINC000398385197 270358092 /nfs/dbraw/zinc/35/80/92/270358092.db2.gz XDJIIGOZAPCYCQ-VIFPVBQESA-N 1 0 287.176 2.287 10 0 CEAERO CC[C@H](NS(=O)(=O)C1CC[NH2+]CC1)C1CCCCC1 ZINC000052344069 522677778 /nfs/dbraw/zinc/67/77/78/522677778.db2.gz DNBZSOOCODCJCO-AWEZNQCLSA-N 1 0 288.457 2.017 10 0 CEAERO CC1(C)CN(c2cncc(Br)c2)CC[NH2+]1 ZINC000261529905 273585302 /nfs/dbraw/zinc/58/53/02/273585302.db2.gz BSLQQDWDAFKTSJ-UHFFFAOYSA-N 1 0 270.174 2.032 10 0 CEAERO COC(=O)C[C@H]1CC2(CC[NH2+]CC2)c2ccccc21 ZINC000096032269 273980871 /nfs/dbraw/zinc/98/08/71/273980871.db2.gz FNRMGNFBNKTIQL-LBPRGKRZSA-N 1 0 259.349 2.358 10 0 CEAERO C[C@@H]([NH3+])CC(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000261784248 274234842 /nfs/dbraw/zinc/23/48/42/274234842.db2.gz JUMODZXTTTTWIJ-PRHODGIISA-N 1 0 297.196 2.290 10 0 CEAERO C[C@@]1(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)CCCC[NH2+]1 ZINC000136147987 274449242 /nfs/dbraw/zinc/44/92/42/274449242.db2.gz HCJKANFBJOPAKE-ZDUSSCGKSA-N 1 0 298.289 2.479 10 0 CEAERO Cc1cc(C(=O)N2CCC[C@H]2C[NH3+])ccc1Br ZINC000137690755 274678508 /nfs/dbraw/zinc/67/85/08/274678508.db2.gz ULTBKTMEWMOLLU-NSHDSACASA-N 1 0 297.196 2.321 10 0 CEAERO Cc1cc2c(NC[C@H]3[NH2+]CCc4ccccc43)nccn2n1 ZINC000262420249 274725488 /nfs/dbraw/zinc/72/54/88/274725488.db2.gz DYRSTKXZRTXKLS-OAHLLOKOSA-N 1 0 293.374 2.337 10 0 CEAERO Brc1cccnc1N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261580630 275375631 /nfs/dbraw/zinc/37/56/31/275375631.db2.gz MZYGIJNDZUNLHZ-LBPRGKRZSA-N 1 0 282.185 2.034 10 0 CEAERO C(C1CCC2(CC1)OCCO2)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000248878207 275389700 /nfs/dbraw/zinc/38/97/00/275389700.db2.gz DFVAQLMXHXGUNI-MRXNPFEDSA-N 1 0 294.439 2.090 10 0 CEAERO CC(C)(C)OC(=O)N1CCc2ccc(C[NH3+])cc2C1 ZINC000064033807 275826835 /nfs/dbraw/zinc/82/68/35/275826835.db2.gz KICZHEGJIRNWSG-UHFFFAOYSA-N 1 0 262.353 2.439 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)Nc1ccccc1C ZINC000175357452 276182899 /nfs/dbraw/zinc/18/28/99/276182899.db2.gz PLSBDKJVHOAHTG-HNNXBMFYSA-N 1 0 289.423 2.350 10 0 CEAERO CCOc1ccccc1CCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261779029 276499349 /nfs/dbraw/zinc/49/93/49/276499349.db2.gz OZUDKOYZRZWBRQ-HUUCEWRRSA-N 1 0 290.407 2.119 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cc3c(s2)CCCC3)C1 ZINC000170858809 276783094 /nfs/dbraw/zinc/78/30/94/276783094.db2.gz RSTOVIVHMNHGGW-GFCCVEGCSA-N 1 0 278.421 2.403 10 0 CEAERO C[NH+]1CCC(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000173401111 276887711 /nfs/dbraw/zinc/88/77/11/276887711.db2.gz KKIZYPVQRLOXDC-CABCVRRESA-N 1 0 264.413 2.413 10 0 CEAERO CN(C)c1ncc(C[NH2+][C@H]2CCOc3ccccc32)n1C ZINC000070143347 276900069 /nfs/dbraw/zinc/90/00/69/276900069.db2.gz WOZSRPZMJDMFJQ-AWEZNQCLSA-N 1 0 286.379 2.100 10 0 CEAERO CN1CCO[C@H](C[NH2+][C@@H]2CCCC23CCCCC3)C1 ZINC000313001107 276940001 /nfs/dbraw/zinc/94/00/01/276940001.db2.gz IHYMOWNNKCGXKR-HUUCEWRRSA-N 1 0 266.429 2.410 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000261549732 277041408 /nfs/dbraw/zinc/04/14/08/277041408.db2.gz JJPHPMLFENEJMN-YIYPIFLZSA-N 1 0 252.402 2.317 10 0 CEAERO CC(=O)N[C@@H]1CCC[N@@H+](C[C@H]2CCC[C@H](C)C2)C1 ZINC000245591092 277046086 /nfs/dbraw/zinc/04/60/86/277046086.db2.gz GVYYRMALNQDZTD-AEGPPILISA-N 1 0 252.402 2.413 10 0 CEAERO COC1(C[NH2+]C[C@H]2CCCC[C@H]2O)CCCCC1 ZINC000319764906 277187633 /nfs/dbraw/zinc/18/76/33/277187633.db2.gz XZOVMBFRJPBGST-ZIAGYGMSSA-N 1 0 255.402 2.476 10 0 CEAERO CC(C)(C)OC(=O)NCC[C@@H](C[NH3+])C(F)(F)F ZINC000071373341 277199287 /nfs/dbraw/zinc/19/92/87/277199287.db2.gz UKAOODOCYCWEIL-ZETCQYMHSA-N 1 0 256.268 2.038 10 0 CEAERO CN1c2ccccc2[C@@H]([NH2+]CCN2CCCCC2)CC1=O ZINC000049574998 277217806 /nfs/dbraw/zinc/21/78/06/277217806.db2.gz LBNNPZGJHGVWRW-HNNXBMFYSA-N 1 0 287.407 2.170 10 0 CEAERO COC[C@H](C)[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000248599977 277257837 /nfs/dbraw/zinc/25/78/37/277257837.db2.gz NOMRAJYLTQOSAR-IGQOVBAYSA-N 1 0 298.427 2.256 10 0 CEAERO CC(C)CC[NH+]1CCC([N@@H+]2CCC[C@H]2C(=O)[O-])CC1 ZINC000038042659 277353790 /nfs/dbraw/zinc/35/37/90/277353790.db2.gz JOANQSJPESLOFZ-AWEZNQCLSA-N 1 0 268.401 2.046 10 0 CEAERO C[C@@H]([NH3+])CCNC(=O)CSc1ccc(Cl)cc1 ZINC000178664834 277597473 /nfs/dbraw/zinc/59/74/73/277597473.db2.gz IHLIWAREXYTCLK-SECBINFHSA-N 1 0 272.801 2.286 10 0 CEAERO CC(C)[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000214911780 277777543 /nfs/dbraw/zinc/77/75/43/277777543.db2.gz LZNGNCOGYRHBPP-IHRRRGAJSA-N 1 0 252.402 2.317 10 0 CEAERO CC(C)[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000253169925 277777571 /nfs/dbraw/zinc/77/75/71/277777571.db2.gz FDHRXVJXTKMCSH-XBFCOCLRSA-N 1 0 252.402 2.173 10 0 CEAERO CC(C)c1nc(CN2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cs1 ZINC000247386425 278071667 /nfs/dbraw/zinc/07/16/67/278071667.db2.gz WNIAMGAQWIJAPH-STQMWFEESA-N 1 0 297.468 2.153 10 0 CEAERO COc1nc2ccccc2nc1NC1CCC([NH3+])CC1 ZINC000095071677 278086887 /nfs/dbraw/zinc/08/68/87/278086887.db2.gz DBYCHQWINWCFNH-UHFFFAOYSA-N 1 0 272.352 2.320 10 0 CEAERO CC1(C)C(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1(C)C ZINC000092818295 278183188 /nfs/dbraw/zinc/18/31/88/278183188.db2.gz OUJWXOQFSSZWNG-SRVKXCTJSA-N 1 0 264.413 2.458 10 0 CEAERO C[C@H]1CCCN(c2cncc(Br)c2)[C@@H]1C[NH3+] ZINC000261563784 278344172 /nfs/dbraw/zinc/34/41/72/278344172.db2.gz BZRXEYREUXOGHB-JOYOIKCWSA-N 1 0 284.201 2.408 10 0 CEAERO CC(C)(C)OC(=O)N([C@H]1CCC[NH2+]C1)C(F)(F)F ZINC000095082899 278378048 /nfs/dbraw/zinc/37/80/48/278378048.db2.gz KHQSDIDXGYBXFG-QMMMGPOBSA-N 1 0 268.279 2.495 10 0 CEAERO C[C@H]1CC[C@H](C(=O)N2CC[NH+](CC3CCCCC3)CC2)O1 ZINC000151001685 278380304 /nfs/dbraw/zinc/38/03/04/278380304.db2.gz VJRTVAZJZGAVCH-GOEBONIOSA-N 1 0 294.439 2.278 10 0 CEAERO CC(C)CC[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)C1CC1 ZINC000338779726 278796849 /nfs/dbraw/zinc/79/68/49/278796849.db2.gz LHOBMFLLOOKBET-UBHSHLNASA-N 1 0 252.402 2.458 10 0 CEAERO CC(C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261708700 279025632 /nfs/dbraw/zinc/02/56/32/279025632.db2.gz JCMXEQJZMADFDW-HZSPNIEDSA-N 1 0 252.402 2.399 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000091496541 279034851 /nfs/dbraw/zinc/03/48/51/279034851.db2.gz VOPZJAFPRMKUSO-DVMIWYLISA-N 1 0 276.424 2.460 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1ccc(Br)cc1 ZINC000261595238 279114388 /nfs/dbraw/zinc/11/43/88/279114388.db2.gz XYIGICVQGLJEBT-LDYMZIIASA-N 1 0 283.169 2.011 10 0 CEAERO Cc1nc2ccccc2nc1N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261809321 279131001 /nfs/dbraw/zinc/13/10/01/279131001.db2.gz SBCVUAKCMXWUPD-AVGNSLFASA-N 1 0 268.364 2.112 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC1(SC)CC1 ZINC000195159819 279325029 /nfs/dbraw/zinc/32/50/29/279325029.db2.gz OBTJAEUCGWEGBR-LBPRGKRZSA-N 1 0 285.457 2.008 10 0 CEAERO CC(C)NC(=O)N1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000068589803 279581041 /nfs/dbraw/zinc/58/10/41/279581041.db2.gz FQCWXHNPRSJAHB-AWEZNQCLSA-N 1 0 267.417 2.349 10 0 CEAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000282289566 280042091 /nfs/dbraw/zinc/04/20/91/280042091.db2.gz IYFWKQPONNMSNE-BXKDBHETSA-N 1 0 286.297 2.462 10 0 CEAERO CCC[C@@H](CC)NC(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000195394222 280203758 /nfs/dbraw/zinc/20/37/58/280203758.db2.gz IBMFJEKKDKCJQL-OLZOCXBDSA-N 1 0 255.406 2.349 10 0 CEAERO CCc1ccc(NC(=O)CN2CC[C@@H](C)C[C@@H]2C[NH3+])cc1 ZINC000234144039 280220243 /nfs/dbraw/zinc/22/02/43/280220243.db2.gz DTNFRHQKFIIXSU-CZUORRHYSA-N 1 0 289.423 2.247 10 0 CEAERO CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000248858986 280245435 /nfs/dbraw/zinc/24/54/35/280245435.db2.gz RFXBYHVDFXLZDR-BARDWOONSA-N 1 0 282.428 2.323 10 0 CEAERO Cc1c(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)cnn1C ZINC000333108352 280246401 /nfs/dbraw/zinc/24/64/01/280246401.db2.gz WVZQYPPYOUSPBP-CQSZACIVSA-N 1 0 276.384 2.074 10 0 CEAERO C[C@H](O)C[N@@H+]1CCN(C(=O)CC2(C)CCCCC2)C[C@H]1C ZINC000245550238 280248982 /nfs/dbraw/zinc/24/89/82/280248982.db2.gz ONJIDNXQCOPYSN-CABCVRRESA-N 1 0 296.455 2.260 10 0 CEAERO Cc1c2cc(F)ccc2oc1C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000335499228 280264556 /nfs/dbraw/zinc/26/45/56/280264556.db2.gz CEHAGTBHXVKBSZ-BXKDBHETSA-N 1 0 276.311 2.442 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H](C)[C@@H]2C)C1 ZINC000246477456 280296306 /nfs/dbraw/zinc/29/63/06/280296306.db2.gz VPSOIDRXHQLFLP-RDBSUJKOSA-N 1 0 267.417 2.301 10 0 CEAERO CC[C@H]1CN(c2ccncc2Cl)CC[N@@H+]1C[C@H](C)O ZINC000246510332 280297967 /nfs/dbraw/zinc/29/79/67/280297967.db2.gz ZXMZZJJPKGDULD-RYUDHWBXSA-N 1 0 283.803 2.016 10 0 CEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCCC2(C)C)C1 ZINC000246554103 280300813 /nfs/dbraw/zinc/30/08/13/280300813.db2.gz WFROSAUYJQHLLV-QWHCGFSZSA-N 1 0 267.417 2.299 10 0 CEAERO Cc1cc(Br)cnc1N1CCC[C@@H]([NH3+])C1 ZINC000086708409 280311042 /nfs/dbraw/zinc/31/10/42/280311042.db2.gz FRSHJBOVOCFFRL-SNVBAGLBSA-N 1 0 270.174 2.080 10 0 CEAERO CCC[C@]1(COC)CCC[N@@H+]1C[C@@H](O)COC(C)(C)C ZINC000248733648 280361548 /nfs/dbraw/zinc/36/15/48/280361548.db2.gz MEZQEYUUZRMLOM-GDBMZVCRSA-N 1 0 287.444 2.444 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCOCC2)C12CCOCC2 ZINC000248986394 280378044 /nfs/dbraw/zinc/37/80/44/280378044.db2.gz KBIUXAGQNDOMIL-SOUVJXGZSA-N 1 0 283.412 2.119 10 0 CEAERO CCc1ccccc1CN1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000249081427 280382770 /nfs/dbraw/zinc/38/27/70/280382770.db2.gz ADWCUVHUZLVZPT-LSDHHAIUSA-N 1 0 276.424 2.136 10 0 CEAERO Cc1cc(C)c(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)c(C)c1 ZINC000091496325 280384097 /nfs/dbraw/zinc/38/40/97/280384097.db2.gz RMYGWUHHPOCRKV-KGLIPLIRSA-N 1 0 260.381 2.482 10 0 CEAERO CCC[C@H](C)[N@@H+]1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000249275215 280390458 /nfs/dbraw/zinc/39/04/58/280390458.db2.gz LSLYOMXDVQFECR-DZGCQCFKSA-N 1 0 265.401 2.389 10 0 CEAERO CC[C@@](C)(O)C[N@@H+]1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000249335823 280393375 /nfs/dbraw/zinc/39/33/75/280393375.db2.gz IFUXLJVFTDUBNW-DZGCQCFKSA-N 1 0 271.401 2.201 10 0 CEAERO CC(C)[C@H]1N(C(=O)C23CCC[NH+]2CCC3)C[C@@]12CCCO2 ZINC000334613293 280446334 /nfs/dbraw/zinc/44/63/34/280446334.db2.gz PDZPHXGHIQLNSJ-PBHICJAKSA-N 1 0 292.423 2.031 10 0 CEAERO Cc1nsc(N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)n1 ZINC000328352615 280603927 /nfs/dbraw/zinc/60/39/27/280603927.db2.gz NXLGJXRMZMUIQD-OLZOCXBDSA-N 1 0 274.393 2.025 10 0 CEAERO CC[C@H]1CC[C@H](C(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])CC1 ZINC000262231097 281110215 /nfs/dbraw/zinc/11/02/15/281110215.db2.gz NZEDXBWZLJMTKF-AJNGGQMLSA-N 1 0 282.428 2.168 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(OC)cc1 ZINC000175004428 281192069 /nfs/dbraw/zinc/19/20/69/281192069.db2.gz NLENPASEMQBVLU-LSDHHAIUSA-N 1 0 288.391 2.394 10 0 CEAERO Cc1nc2c(s1)[C@H]([NH2+][C@H]1CCc3ncnn3C1)CCC2 ZINC000180589464 282046457 /nfs/dbraw/zinc/04/64/57/282046457.db2.gz OBMPCFLOXGTTAI-CMPLNLGQSA-N 1 0 289.408 2.025 10 0 CEAERO C[C@@H](C(=O)OC(C)(C)C)N(C)CC[NH+]1CCC(C)CC1 ZINC000154135955 289136037 /nfs/dbraw/zinc/13/60/37/289136037.db2.gz HLHPVNGCAUXMJR-AWEZNQCLSA-N 1 0 284.444 2.380 10 0 CEAERO CCC[C@@H](C(=O)NCC1(CCOC)CCCC1)[NH+](C)C ZINC000154828983 289155986 /nfs/dbraw/zinc/15/59/86/289155986.db2.gz YMGYQRQFOFQERN-AWEZNQCLSA-N 1 0 284.444 2.430 10 0 CEAERO CCc1onc(C)c1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000155489147 289175475 /nfs/dbraw/zinc/17/54/75/289175475.db2.gz CFVAACFGOUWQTD-CMPLNLGQSA-N 1 0 279.384 2.004 10 0 CEAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CC3(C2)CCCC3)C1 ZINC000336113433 289324631 /nfs/dbraw/zinc/32/46/31/289324631.db2.gz OOKINHICOYZBOT-QWHCGFSZSA-N 1 0 265.401 2.055 10 0 CEAERO C[C@H]1CCCN(c2cnc3ccccc3n2)[C@H]1C[NH3+] ZINC000252114931 290454574 /nfs/dbraw/zinc/45/45/74/290454574.db2.gz IJTNSLQYHNUEQR-FZMZJTMJSA-N 1 0 256.353 2.193 10 0 CEAERO [NH3+]C[C@H](C(=O)N1C[C@@H]2CCCC[C@H]2C1)c1ccccc1 ZINC000246534723 295261368 /nfs/dbraw/zinc/26/13/68/295261368.db2.gz RYRXBUBGWJROLP-JYJNAYRXSA-N 1 0 272.392 2.378 10 0 CEAERO [NH3+][C@@H]1CCCN(C(=O)[C@@H]2CCCO[C@@H]2c2ccccc2)C1 ZINC000191335557 295302204 /nfs/dbraw/zinc/30/22/04/295302204.db2.gz UNSGCCVELKBIEQ-BZUAXINKSA-N 1 0 288.391 2.104 10 0 CEAERO COc1ccccc1C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113232286 295351225 /nfs/dbraw/zinc/35/12/25/295351225.db2.gz MEFNNGGLXODJCG-QWHCGFSZSA-N 1 0 274.364 2.004 10 0 CEAERO O=C(CC12CC3CC(CC(C3)C1)C2)NC[C@@H]1CC[NH2+]C1 ZINC000131856980 295462846 /nfs/dbraw/zinc/46/28/46/295462846.db2.gz ALMOYSOMKFODRQ-JISDDCRVSA-N 1 0 276.424 2.319 10 0 CEAERO C[C@H](C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1)C1C[NH2+]C1 ZINC000164068122 298189255 /nfs/dbraw/zinc/18/92/55/298189255.db2.gz QDICYCHWZFOULK-LSJOCFKGSA-N 1 0 278.318 2.079 10 0 CEAERO C[C@H](C1CC1)N(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000261777433 298254235 /nfs/dbraw/zinc/25/42/35/298254235.db2.gz OYRJHKUVMPYDGO-MPKXVKKWSA-N 1 0 250.386 2.151 10 0 CEAERO C[C@H](NC(=O)CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000019399336 299044157 /nfs/dbraw/zinc/04/41/57/299044157.db2.gz LJVFSBDBUVBWQY-OWWVKFPZSA-N 1 0 250.386 2.056 10 0 CEAERO Cc1cc(C)c(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(C)c1 ZINC000261773984 301168989 /nfs/dbraw/zinc/16/89/89/301168989.db2.gz OWXBBZNRIBJGMH-SOUVJXGZSA-N 1 0 272.392 2.421 10 0 CEAERO [NH3+][C@@H]1CC[C@H](C(=O)N[C@@H](C2CCCC2)C(F)(F)F)C1 ZINC000246184752 303473245 /nfs/dbraw/zinc/47/32/45/303473245.db2.gz CMQXRIIFHPVASC-AXFHLTTASA-N 1 0 278.318 2.351 10 0 CEAERO OC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000300740989 304828899 /nfs/dbraw/zinc/82/88/99/304828899.db2.gz VSUPDMBRAFNPLQ-IHRRRGAJSA-N 1 0 253.386 2.229 10 0 CEAERO CC1(C)CC(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC(C)(C)C1 ZINC000575800263 314222336 /nfs/dbraw/zinc/22/23/36/314222336.db2.gz JGSAIIVWUKPHIA-CMPLNLGQSA-N 1 0 270.392 2.408 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)N1CCC[C@@H]1C1CCC1 ZINC000577124178 314344659 /nfs/dbraw/zinc/34/46/59/314344659.db2.gz IXWPYHZRGGTCCJ-TZMCWYRMSA-N 1 0 250.386 2.167 10 0 CEAERO C[C@@H]1CN(c2ccnc3cccnc32)C[C@@]1(C)C[NH3+] ZINC000379229608 321824766 /nfs/dbraw/zinc/82/47/66/321824766.db2.gz YSKAWVJVMUXDSW-IAQYHMDHSA-N 1 0 256.353 2.051 10 0 CEAERO CC(C)C[C@H]1CCCN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000397004494 329319434 /nfs/dbraw/zinc/31/94/34/329319434.db2.gz RBNFHWAIGMXDPI-UONOGXRCSA-N 1 0 252.402 2.413 10 0 CEAERO C/C=C1/C[N@@H+]2[C@H]3C[C@@]45c6ccccc6N[C@H]4[C@@H]2C[C@@H]1[C@H]3[C@H]5O ZINC000100060499 330365277 /nfs/dbraw/zinc/36/52/77/330365277.db2.gz HEKXGHRRYWMPER-MWUVFPHBSA-N 1 0 294.398 2.132 10 0 CEAERO CC(C)(C)OC(=O)NCCc1cccc2c1CC[NH2+]C2 ZINC000536957979 330383688 /nfs/dbraw/zinc/38/36/88/330383688.db2.gz IULRLYCJHITWKR-UHFFFAOYSA-N 1 0 276.380 2.400 10 0 CEAERO CCOCc1cc([C@H](O)C[NH2+]C(C)(C)C)ccc1O ZINC000169330068 333180609 /nfs/dbraw/zinc/18/06/09/333180609.db2.gz TXFGJJYAMPXTIJ-CQSZACIVSA-N 1 0 267.369 2.350 10 0 CEAERO CC(C)N1CCc2nc(C3([NH3+])CCC3)sc2C1 ZINC000061713566 519690138 /nfs/dbraw/zinc/69/01/38/519690138.db2.gz QJNDPCPFEIAUEC-UHFFFAOYSA-N 1 0 251.399 2.248 10 0 CEAERO CC(C)[NH2+]CC1(CN(C)CC(F)(F)F)CCOCC1 ZINC000052182046 519719911 /nfs/dbraw/zinc/71/99/11/519719911.db2.gz RMRTWGHSNQGHRW-UHFFFAOYSA-N 1 0 282.350 2.275 10 0 CEAERO CC(C)C[NH2+]Cc1cnc(Cc2cccnc2)nc1 ZINC000054856672 519748613 /nfs/dbraw/zinc/74/86/13/519748613.db2.gz FNLWQSRGPGNFKU-UHFFFAOYSA-N 1 0 256.353 2.208 10 0 CEAERO CCOCCC[NH2+]CCOc1cccc(OC)c1 ZINC000053565655 519896497 /nfs/dbraw/zinc/89/64/97/519896497.db2.gz AIQRJKREXKAZPS-UHFFFAOYSA-N 1 0 253.342 2.090 10 0 CEAERO CCCC1CC[NH+](CC2(CO)CCOCC2)CC1 ZINC000052199476 519901005 /nfs/dbraw/zinc/90/10/05/519901005.db2.gz ZTUXIZCVJLKIHS-UHFFFAOYSA-N 1 0 255.402 2.288 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)NCCc1ccc(Cl)cc1 ZINC000061298807 519904810 /nfs/dbraw/zinc/90/48/10/519904810.db2.gz NVJQKLNSRYIORL-UHFFFAOYSA-N 1 0 268.788 2.387 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000061268454 519938475 /nfs/dbraw/zinc/93/84/75/519938475.db2.gz WGKWCSPZMAONSM-SSDOTTSWSA-N 1 0 260.259 2.288 10 0 CEAERO CCC[NH2+]C[C@H]1CC[C@@H](Cn2nc(C)c(C)c2C)O1 ZINC000052591628 519938943 /nfs/dbraw/zinc/93/89/43/519938943.db2.gz FRXLBEFEMBMSID-CABCVRRESA-N 1 0 265.401 2.356 10 0 CEAERO CCC[NH2+]Cc1cccc(-n2cc(Cl)cn2)n1 ZINC000051492422 519954225 /nfs/dbraw/zinc/95/42/25/519954225.db2.gz KGNQQXWCABARHT-UHFFFAOYSA-N 1 0 250.733 2.420 10 0 CEAERO CC[NH2+]C[C@H]1CCN(c2cc(OC)ccc2OC)C1 ZINC000053011188 519977454 /nfs/dbraw/zinc/97/74/54/519977454.db2.gz MBPRYNHLBKROLJ-GFCCVEGCSA-N 1 0 264.369 2.140 10 0 CEAERO CCC[NH2+][C@@H](CCN(CC)c1ccccc1C)C(N)=O ZINC000062438001 519998200 /nfs/dbraw/zinc/99/82/00/519998200.db2.gz LDHKAMRZXJQXJW-AWEZNQCLSA-N 1 0 277.412 2.065 10 0 CEAERO CCN(C(=O)[C@@H]1CCC[C@H](CC[NH3+])C1)[C@@H](C)COC ZINC000055162192 520025923 /nfs/dbraw/zinc/02/59/23/520025923.db2.gz ORPRSCSMKFRRJR-BFHYXJOUSA-N 1 0 270.417 2.025 10 0 CEAERO CCCN[C@@](C)(C[C@H](C)[NH+]1CCC(C)(C)CC1)C(N)=O ZINC000068643203 520045112 /nfs/dbraw/zinc/04/51/12/520045112.db2.gz QLZMMVAWAANBQI-BBRMVZONSA-N 1 0 283.460 2.131 10 0 CEAERO CCCN[C@@](C)(C[C@H](C)[N@H+](CC)CC1CC1)C(=O)OC ZINC000068647640 520044488 /nfs/dbraw/zinc/04/44/88/520044488.db2.gz WVMGGEXDHRRSKZ-BBRMVZONSA-N 1 0 284.444 2.428 10 0 CEAERO CCCN[C@@](C[N@H+](C)CC1CC1)(C(=O)OCC)C1CC1 ZINC000069100716 520049463 /nfs/dbraw/zinc/04/94/63/520049463.db2.gz SSZFNHFUHSEQTH-MRXNPFEDSA-N 1 0 282.428 2.040 10 0 CEAERO CCCN[C@@](C[N@H+](C)[C@@H](C)CCC)(C(=O)OC)C1CC1 ZINC000069100170 520049973 /nfs/dbraw/zinc/04/99/73/520049973.db2.gz HAJMBVIXAFXAAU-XJKSGUPXSA-N 1 0 284.444 2.428 10 0 CEAERO CCC[NH2+][C@H](C)c1ccc(F)cc1O[C@@H](C)C(=O)NC ZINC000062747405 520065384 /nfs/dbraw/zinc/06/53/84/520065384.db2.gz SGGGUOIPUQXVHV-MNOVXSKESA-N 1 0 282.359 2.400 10 0 CEAERO CCN[C@@H](CC[NH+](CC(C)C)CC(C)C)C(=O)OC ZINC000062454486 520086157 /nfs/dbraw/zinc/08/61/57/520086157.db2.gz RSNGSHGVWZSBOF-AWEZNQCLSA-N 1 0 272.433 2.142 10 0 CEAERO CC[NH2+][C@@H](c1ccc(F)cc1F)[C@@H]1COCCO1 ZINC000055300067 520108889 /nfs/dbraw/zinc/10/88/89/520108889.db2.gz XZEIUFBPHLCJJP-STQMWFEESA-N 1 0 257.280 2.031 10 0 CEAERO CCCN[C@](C)(C[C@@H](C)[N@H+](CC)C1CCCC1)C(N)=O ZINC000068624548 520109561 /nfs/dbraw/zinc/10/95/61/520109561.db2.gz RXYYVUZMNDMGHK-CZUORRHYSA-N 1 0 283.460 2.273 10 0 CEAERO CCCN[C@](C)(C[C@@H](C)[N@@H+]1CCCCC[C@@H]1C)C(N)=O ZINC000068647885 520111151 /nfs/dbraw/zinc/11/11/51/520111151.db2.gz DOKDWWPILGQBQB-SQWLQELKSA-N 1 0 283.460 2.273 10 0 CEAERO CCCN[C@](C[N@H+](C)CCC(C)C)(C(=O)OC)C1CC1 ZINC000069183692 520116464 /nfs/dbraw/zinc/11/64/64/520116464.db2.gz NDTFFRJQBUPOKF-INIZCTEOSA-N 1 0 284.444 2.286 10 0 CEAERO CCN[C@@](C[N@H+](C)[C@@H](C)CC(C)C)(C(=O)OC)C1CC1 ZINC000069140046 520148370 /nfs/dbraw/zinc/14/83/70/520148370.db2.gz LNHPWDXXAHTFOL-XJKSGUPXSA-N 1 0 284.444 2.284 10 0 CEAERO CC[NH2+][C@H](C)c1cc(C)ccc1OC[C@H](O)COC ZINC000069053637 520176335 /nfs/dbraw/zinc/17/63/35/520176335.db2.gz LZLOQRWBQKQFPL-CHWSQXEVSA-N 1 0 267.369 2.052 10 0 CEAERO CC[NH2+][C@H](C)c1cnc(N2CCO[C@H](CC)C2)s1 ZINC000054903641 520181728 /nfs/dbraw/zinc/18/17/28/520181728.db2.gz NNRYLCXIRYHWSI-GHMZBOCLSA-N 1 0 269.414 2.429 10 0 CEAERO CCCC[N@H+](CCO)CC(=O)Nc1ccccc1SC ZINC000049800227 520522960 /nfs/dbraw/zinc/52/29/60/520522960.db2.gz SOARRCKDNNERQQ-UHFFFAOYSA-N 1 0 296.436 2.441 10 0 CEAERO CC[NH+](CC)CCNC(=O)/C=C/c1ccc(C)cc1 ZINC000068190994 520665640 /nfs/dbraw/zinc/66/56/40/520665640.db2.gz NNXKBXAAPMDKQX-ZHACJKMWSA-N 1 0 260.381 2.466 10 0 CEAERO CCN(CC)CC[NH2+]C1(CO)CCC(C(C)C)CC1 ZINC000054557666 520686277 /nfs/dbraw/zinc/68/62/77/520686277.db2.gz KDERPJWVTAPHPY-UHFFFAOYSA-N 1 0 270.461 2.495 10 0 CEAERO CCCC[NH2+]CCn1cnc2sc(C)c(C)c2c1=O ZINC000053530140 520690874 /nfs/dbraw/zinc/69/08/74/520690874.db2.gz YVSPKAJDJZCSSE-UHFFFAOYSA-N 1 0 279.409 2.465 10 0 CEAERO CCOC(=O)[C@H](CC[N@H+](C)[C@@H](C)CC)NC(C)C ZINC000062444845 521242696 /nfs/dbraw/zinc/24/26/96/521242696.db2.gz NFIVYZCZBBOCOH-STQMWFEESA-N 1 0 258.406 2.037 10 0 CEAERO CCOC(=O)[C@](N)(C[N@H+](C)C1CCCCCC1)C1CC1 ZINC000069100529 521345440 /nfs/dbraw/zinc/34/54/40/521345440.db2.gz WMVRMCWIRVKKSQ-INIZCTEOSA-N 1 0 282.428 2.312 10 0 CEAERO CCCc1nc(N2CCOC[C@@H]2C)sc1C[NH2+]C ZINC000054997364 521532738 /nfs/dbraw/zinc/53/27/38/521532738.db2.gz VRTIUTBSKGNRRA-JTQLQIEISA-N 1 0 269.414 2.040 10 0 CEAERO CCC[N@H+](CC)C[C@@](NC1CC1)(C(=O)OCC)C1CC1 ZINC000069098056 521612039 /nfs/dbraw/zinc/61/20/39/521612039.db2.gz AWXHEHVEUYEBHI-INIZCTEOSA-N 1 0 282.428 2.182 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000061300784 521938191 /nfs/dbraw/zinc/93/81/91/521938191.db2.gz OVRAXPSLJDCNEH-LLVKDONJSA-N 1 0 282.384 2.477 10 0 CEAERO C[NH2+]CC[C@H](C)N1CCN(c2cccc(C)c2)CC1 ZINC000052418934 522018739 /nfs/dbraw/zinc/01/87/39/522018739.db2.gz OCHODRSTKQOICU-HNNXBMFYSA-N 1 0 261.413 2.115 10 0 CEAERO C[NH2+]C[C@@H](OC[C@H]1CCCO1)c1cccc(F)c1 ZINC000050494234 522038605 /nfs/dbraw/zinc/03/86/05/522038605.db2.gz LXULQRJYVQBFJI-ZIAGYGMSSA-N 1 0 253.317 2.282 10 0 CEAERO C[NH2+]Cc1occc1Cn1ccc(C(F)(F)F)n1 ZINC000052592498 522163745 /nfs/dbraw/zinc/16/37/45/522163745.db2.gz LTYZAWUBLLXGKM-UHFFFAOYSA-N 1 0 259.231 2.263 10 0 CEAERO C[C@H]([NH2+]C1(C2CCC2)CCC1)C(=O)NCC(F)(F)F ZINC000411813371 533789288 /nfs/dbraw/zinc/78/92/88/533789288.db2.gz AJNLOEBVYMBJOB-VIFPVBQESA-N 1 0 278.318 2.366 10 0 CEAERO CC[C@H]([NH3+])[C@H](OCC1CCOCC1)c1ccccn1 ZINC000052149933 522341396 /nfs/dbraw/zinc/34/13/96/522341396.db2.gz HNQBKMRVCBDPKC-ZFWWWQNUSA-N 1 0 264.369 2.303 10 0 CEAERO C[NH2+][C@@H](CCCS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000063016778 522343752 /nfs/dbraw/zinc/34/37/52/522343752.db2.gz WAQQLDYLHFFXCO-LBPRGKRZSA-N 1 0 275.801 2.425 10 0 CEAERO CCc1nc(N2CCOCC2)sc1C[NH2+]CC(C)C ZINC000054995202 522388070 /nfs/dbraw/zinc/38/80/70/522388070.db2.gz PUVWERLENKNTRC-UHFFFAOYSA-N 1 0 283.441 2.288 10 0 CEAERO C[NH2+][C@@H]1CCO[C@](C)(c2cc(OC)ccc2OC)C1 ZINC000070341737 522394362 /nfs/dbraw/zinc/39/43/62/522394362.db2.gz AOWHXQXBRPDXJW-ABAIWWIYSA-N 1 0 265.353 2.317 10 0 CEAERO C[NH2+][C@H](C)c1nnn(-c2cccc(COC)c2)c1C ZINC000049511463 522455794 /nfs/dbraw/zinc/45/57/94/522455794.db2.gz UPXSPKDIOVCSJO-SNVBAGLBSA-N 1 0 260.341 2.003 10 0 CEAERO C[C@H](NCc1cnn(Cc2ccccc2)c1)[C@@H]1CC[NH2+]C1 ZINC000400440247 533938268 /nfs/dbraw/zinc/93/82/68/533938268.db2.gz MFCTZYWUHDVTRK-WMLDXEAASA-N 1 0 284.407 2.019 10 0 CEAERO C[C@@H]([NH3+])[C@@H](OC[C@@H]1CCOC1)c1cccc(F)c1 ZINC000042974306 518177646 /nfs/dbraw/zinc/17/76/46/518177646.db2.gz BOTUWENDILSZIE-JTNHKYCSSA-N 1 0 253.317 2.267 10 0 CEAERO Brc1ccc(NCC[NH2+]C2CC2)nc1 ZINC000054267893 518213925 /nfs/dbraw/zinc/21/39/25/518213925.db2.gz LWPMWYCCTXBQCI-UHFFFAOYSA-N 1 0 256.147 2.008 10 0 CEAERO CC(C)(C)NC(=O)[C@H](C[NH3+])Cc1ccc2ncccc2c1 ZINC000069500514 518748141 /nfs/dbraw/zinc/74/81/41/518748141.db2.gz XZYFZQMKSHUHJE-AWEZNQCLSA-N 1 0 285.391 2.267 10 0 CEAERO CC(C)(C)[NH2+]Cc1ccccc1N1CCC[C@@H](C(N)=O)C1 ZINC000062734027 518766663 /nfs/dbraw/zinc/76/66/63/518766663.db2.gz CBWDWOYLGOEJJX-CQSZACIVSA-N 1 0 289.423 2.276 10 0 CEAERO CC(C)(C)[NH2+]Cc1nc(Cn2ccnc2)cs1 ZINC000052575364 518768742 /nfs/dbraw/zinc/76/87/42/518768742.db2.gz AIKJLTRPYQTAOZ-UHFFFAOYSA-N 1 0 250.371 2.276 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc(N)ccc1F ZINC000049550969 519338121 /nfs/dbraw/zinc/33/81/21/519338121.db2.gz JGFGJQBXIOYUON-GFCCVEGCSA-N 1 0 281.375 2.114 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)Nc1ccc(S(C)(=O)=O)cc1 ZINC000049558110 519344660 /nfs/dbraw/zinc/34/46/60/519344660.db2.gz GTILRRQTOXCQJK-CQSZACIVSA-N 1 0 298.452 2.478 10 0 CEAERO CC(C)C[C@H]1C[NH2+]CCN1Cc1cn2ccccc2n1 ZINC000068697225 519414824 /nfs/dbraw/zinc/41/48/24/519414824.db2.gz BPWJYXYFNNNWEN-HNNXBMFYSA-N 1 0 272.396 2.154 10 0 CEAERO CC(C)C[C@H]1C[NH2+][C@H](C(C)C)CN1Cc1cnn(C)c1 ZINC000068703445 519415323 /nfs/dbraw/zinc/41/53/23/519415323.db2.gz RHAVRGGKOHYJDI-HOTGVXAUSA-N 1 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SOXPDRFNDHLVNX-NSHDSACASA-N 1 0 250.342 2.067 10 0 CEAERO CC(C)[NH2+]CCCN1C(=O)COc2ccc(Cl)cc21 ZINC000048785017 519720660 /nfs/dbraw/zinc/72/06/60/519720660.db2.gz JALSBSGWCHDWEW-UHFFFAOYSA-N 1 0 282.771 2.454 10 0 CEAERO CC(C)[NH2+]C[C@H](Oc1ccc(S(C)(=O)=O)cc1)C(C)C ZINC000052701921 519724879 /nfs/dbraw/zinc/72/48/79/519724879.db2.gz HUMCWEFKNFORHN-HNNXBMFYSA-N 1 0 299.436 2.492 10 0 CEAERO CC(C)C[NH+]1CCN(CC(=O)c2cccs2)CC1 ZINC000055080084 519725137 /nfs/dbraw/zinc/72/51/37/519725137.db2.gz LEYDCWFVHFSPDE-UHFFFAOYSA-N 1 0 266.410 2.204 10 0 CEAERO CC(C)[NH2+]C[C@H]1CC[C@H](COC[C@@H]2CCCCO2)O1 ZINC000052605233 519725725 /nfs/dbraw/zinc/72/57/25/519725725.db2.gz BMMTXUZAVXBCLK-QLFBSQMISA-N 1 0 271.401 2.118 10 0 CEAERO CC(C)[NH2+]Cc1nnnn1Cc1ccc(C(C)C)cc1 ZINC000054747955 519729568 /nfs/dbraw/zinc/72/95/68/519729568.db2.gz WWKAWVLANQLIDA-UHFFFAOYSA-N 1 0 273.384 2.343 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)CN1CC[C@H](c2ccccc2)C1 ZINC000070334392 519739589 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ZINC000061883802 519782483 /nfs/dbraw/zinc/78/24/83/519782483.db2.gz SGNYUZRVHYZCJP-UKRRQHHQSA-N 1 0 276.380 2.331 10 0 CEAERO CC(C)Oc1ccccc1CC(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000157672685 519784112 /nfs/dbraw/zinc/78/41/12/519784112.db2.gz DKQPOPVULLZSCV-LSDHHAIUSA-N 1 0 290.407 2.260 10 0 CEAERO CC(C)Oc1nc(N[C@@H](C[NH+](C)C)C(C)C)ccc1N ZINC000049194707 519785865 /nfs/dbraw/zinc/78/58/65/519785865.db2.gz BUGUYAAWJICXTK-ZDUSSCGKSA-N 1 0 280.416 2.449 10 0 CEAERO CC(C)[C@@H](CN(C)C)[NH2+]C[C@@H](O)c1ccc(F)cc1F ZINC000049204642 519793595 /nfs/dbraw/zinc/79/35/95/519793595.db2.gz JZJQBZBNJIUWQD-HUUCEWRRSA-N 1 0 286.366 2.174 10 0 CEAERO CC(C)[C@H](C)[NH2+]CCn1cnc2sccc2c1=O ZINC000053522036 519813123 /nfs/dbraw/zinc/81/31/23/519813123.db2.gz OXSLHCYBVLEEKC-JTQLQIEISA-N 1 0 265.382 2.092 10 0 CEAERO CC(C)[C@]1(C)CC(=O)N(Cc2ccc(CC[NH3+])cc2)C1=O ZINC000052899517 519829893 /nfs/dbraw/zinc/82/98/93/519829893.db2.gz GUUALHHVVKVQAT-KRWDZBQOSA-N 1 0 288.391 2.109 10 0 CEAERO CCCN1CC[NH+]([C@@H](CC(N)=S)c2ccccc2)CC1 ZINC000055024533 519859454 /nfs/dbraw/zinc/85/94/54/519859454.db2.gz PZYVTZAAYWHYLC-HNNXBMFYSA-N 1 0 291.464 2.432 10 0 CEAERO CCCNC(=O)CCn1c2ccc(N)cc2[nH+]c1CCC ZINC000052855159 519873540 /nfs/dbraw/zinc/87/35/40/519873540.db2.gz MGDIHXCIJJUZME-UHFFFAOYSA-N 1 0 288.395 2.487 10 0 CEAERO CCCC1(C(=O)N(C)Cc2ccncc2)CC[NH2+]CC1 ZINC000062848256 519887274 /nfs/dbraw/zinc/88/72/74/519887274.db2.gz VMYHVYGMULTUPT-UHFFFAOYSA-N 1 0 275.396 2.210 10 0 CEAERO CCCNC(=O)[C@@H](C)n1c(C)[nH+]c2cc(N)ccc21 ZINC000052855390 519889137 /nfs/dbraw/zinc/88/91/37/519889137.db2.gz SEVDBIZTJNBZFH-SECBINFHSA-N 1 0 260.341 2.014 10 0 CEAERO CCCNC(=O)[C@H](C[NH3+])Cc1ccc(OCCC)cc1 ZINC000052919415 519894691 /nfs/dbraw/zinc/89/46/91/519894691.db2.gz FZADOYGHHCXTEN-AWEZNQCLSA-N 1 0 278.396 2.119 10 0 CEAERO CCCC1CC[NH+](CCCC[C@@](C)([NH3+])C(=O)[O-])CC1 ZINC000050905626 519901089 /nfs/dbraw/zinc/90/10/89/519901089.db2.gz BINIMBGSPTZPIC-OAHLLOKOSA-N 1 0 270.417 2.471 10 0 CEAERO CCCC1CC[NH+](CC[C@](C)(N)C(=O)OCC)CC1 ZINC000050905721 519901315 /nfs/dbraw/zinc/90/13/15/519901315.db2.gz TZYDIMLKZHDWFD-HNNXBMFYSA-N 1 0 270.417 2.169 10 0 CEAERO CCCC1CCN(c2c(C[NH3+])c(C)nn2C)CC1 ZINC000050894291 519903244 /nfs/dbraw/zinc/90/32/44/519903244.db2.gz KGIHXOZAFYBDQR-UHFFFAOYSA-N 1 0 250.390 2.204 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N(C)Cc1ccc(F)cc1F ZINC000061294604 519903551 /nfs/dbraw/zinc/90/35/51/519903551.db2.gz BWZCIBTZJJAEEW-UHFFFAOYSA-N 1 0 270.323 2.311 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1ccc(Cl)cc1C(=O)OC ZINC000061290677 519906726 /nfs/dbraw/zinc/90/67/26/519906726.db2.gz KEJMLDDSSFYZFL-UHFFFAOYSA-N 1 0 298.770 2.453 10 0 CEAERO CCC[NH2+]CCN(C)c1ccccc1S(=O)(=O)CCC ZINC000053692050 519914186 /nfs/dbraw/zinc/91/41/86/519914186.db2.gz QFMJZAQFNADPHS-UHFFFAOYSA-N 1 0 298.452 2.306 10 0 CEAERO CC[NH2+]CCC(=O)N[C@@H](C)Cc1c(F)cccc1F ZINC000061293607 519916748 /nfs/dbraw/zinc/91/67/48/519916748.db2.gz YCRSGKMREKPXNS-JTQLQIEISA-N 1 0 270.323 2.012 10 0 CEAERO CC[NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)c(C)c1 ZINC000061298748 519918304 /nfs/dbraw/zinc/91/83/04/519918304.db2.gz DXBOFEIHUNWULD-UHFFFAOYSA-N 1 0 289.379 2.060 10 0 CEAERO CC(C)n1c(S[C@@H]([C@H](C)[NH3+])C(C)(C)C)n[nH]c1=O ZINC000061595215 519923846 /nfs/dbraw/zinc/92/38/46/519923846.db2.gz UVKWJGXPQDPVLR-IUCAKERBSA-N 1 0 272.418 2.006 10 0 CEAERO CCC[NH2+]C[C@@H]1OCCN(C)[C@@H]1c1ccc(C)s1 ZINC000070285937 519926540 /nfs/dbraw/zinc/92/65/40/519926540.db2.gz PWHIYZFNUGEGBL-JSGCOSHPSA-N 1 0 268.426 2.428 10 0 CEAERO CCC[NH2+]C[C@@H]1CC[C@H](COc2ccc(C)nc2)O1 ZINC000052596297 519927883 /nfs/dbraw/zinc/92/78/83/519927883.db2.gz WGCOILUPOBOXNO-LSDHHAIUSA-N 1 0 264.369 2.316 10 0 CEAERO CCC[NH2+]C[C@H](C)N1CCN(c2ccccc2)CC1 ZINC000052417269 519931616 /nfs/dbraw/zinc/93/16/16/519931616.db2.gz IXWXYTJYTSRMGZ-HNNXBMFYSA-N 1 0 261.413 2.197 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccc2oc(C)nc2c1 ZINC000061267277 519941526 /nfs/dbraw/zinc/94/15/26/519941526.db2.gz QSXBPRXUYUBXDL-SECBINFHSA-N 1 0 261.325 2.320 10 0 CEAERO CC[NH2+]C[C@@H](C)c1nc2ccccc2n1CCOC ZINC000061219518 519944172 /nfs/dbraw/zinc/94/41/72/519944172.db2.gz OBJPQVFVNQFUMR-GFCCVEGCSA-N 1 0 261.369 2.396 10 0 CEAERO CC[NH2+]C[C@@H](CCC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000052950308 519945171 /nfs/dbraw/zinc/94/51/71/519945171.db2.gz QAIKQIRRMYEXDS-CHWSQXEVSA-N 1 0 261.431 2.083 10 0 CEAERO CC[NH2+]C[C@@H]1CC[C@@H](Cn2ncc3ccccc32)O1 ZINC000052574210 519952794 /nfs/dbraw/zinc/95/27/94/519952794.db2.gz NJEHFTCUZIQKFQ-KBPBESRZSA-N 1 0 259.353 2.193 10 0 CEAERO CCC[NH2+]Cc1cccc(OCCC(=O)OC)c1 ZINC000069316960 519953903 /nfs/dbraw/zinc/95/39/03/519953903.db2.gz LPLNGAPSHJRNJZ-UHFFFAOYSA-N 1 0 251.326 2.128 10 0 CEAERO CCC[NH2+]Cc1cccc(OCC)c1O[C@@H](CC)C(N)=O ZINC000061675788 519955056 /nfs/dbraw/zinc/95/50/56/519955056.db2.gz DEHXFEQQRUAAPF-ZDUSSCGKSA-N 1 0 294.395 2.228 10 0 CEAERO CCC[NH2+]Cc1ccnc(N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000051399719 519958388 /nfs/dbraw/zinc/95/83/88/519958388.db2.gz ZVCRSAACSPUFJY-STQMWFEESA-N 1 0 263.385 2.195 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N(C)[C@H](C)c1ccccc1OC ZINC000061236203 519959500 /nfs/dbraw/zinc/95/95/00/519959500.db2.gz HPBDWAUIUDENJI-QWHCGFSZSA-N 1 0 278.396 2.460 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N(Cc1ccccc1OC)C1CC1 ZINC000061236937 519959962 /nfs/dbraw/zinc/95/99/62/519959962.db2.gz DMHLKLYVSVNEKQ-ZDUSSCGKSA-N 1 0 290.407 2.432 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N1CCCc2cccc(OC)c21 ZINC000061266140 519960810 /nfs/dbraw/zinc/96/08/10/519960810.db2.gz GZBZRSJTXWAGNA-LBPRGKRZSA-N 1 0 276.380 2.220 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000061267386 519962084 /nfs/dbraw/zinc/96/20/84/519962084.db2.gz IMSHOPXSMGRICH-LBPRGKRZSA-N 1 0 273.380 2.072 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000061233815 519967544 /nfs/dbraw/zinc/96/75/44/519967544.db2.gz YQMHOIMGAAPSML-ZDUSSCGKSA-N 1 0 275.396 2.471 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccc2oc(C)nc2c1 ZINC000061267279 519968831 /nfs/dbraw/zinc/96/88/31/519968831.db2.gz QSXBPRXUYUBXDL-VIFPVBQESA-N 1 0 261.325 2.320 10 0 CEAERO CC[NH2+]C[C@H](CCOC)Cc1ccc(OC)cc1 ZINC000052975977 519971888 /nfs/dbraw/zinc/97/18/88/519971888.db2.gz BIWBSQHSTDDLRR-CQSZACIVSA-N 1 0 251.370 2.500 10 0 CEAERO CC[NH2+]C[C@H](CCS(C)(=O)=O)Cc1ccccc1C ZINC000052978780 519972692 /nfs/dbraw/zinc/97/26/92/519972692.db2.gz BDZQWXSDWSHDDC-CQSZACIVSA-N 1 0 283.437 2.198 10 0 CEAERO CCC[NH2+]Cc1sc(N(C)[C@@H](C)COC)nc1C ZINC000054998803 519975480 /nfs/dbraw/zinc/97/54/80/519975480.db2.gz WUYQTWXXBFUXNE-JTQLQIEISA-N 1 0 271.430 2.422 10 0 CEAERO CC[NH2+]C[C@H](c1ccccc1)N(CCCOC)CCOC ZINC000052543322 519976192 /nfs/dbraw/zinc/97/61/92/519976192.db2.gz MYRLYDOZTQFFNW-QGZVFWFLSA-N 1 0 294.439 2.322 10 0 CEAERO CCC[NH2+][C@@H](C)[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000063033300 519987428 /nfs/dbraw/zinc/98/74/28/519987428.db2.gz QRNPXSXOLKQVGN-STQMWFEESA-N 1 0 298.452 2.429 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccccc1OC[C@@H](O)COC ZINC000069053550 519991121 /nfs/dbraw/zinc/99/11/21/519991121.db2.gz UIMYIVNIKHQTSW-STQMWFEESA-N 1 0 267.369 2.133 10 0 CEAERO CC[NH2+]Cc1cc(Cn2nnc3ccccc32)c(C)o1 ZINC000052576722 519992419 /nfs/dbraw/zinc/99/24/19/519992419.db2.gz AMZVKHNKKRQFNI-UHFFFAOYSA-N 1 0 270.336 2.491 10 0 CEAERO CCCN[C@@H](CC[N@H+](C)[C@H](C)CCC)C(=O)OC ZINC000062450387 519996619 /nfs/dbraw/zinc/99/66/19/519996619.db2.gz CHRZIIMYDMZDIZ-OLZOCXBDSA-N 1 0 258.406 2.038 10 0 CEAERO CC[NH2+]Cc1ccc(OC2CCOCC2)c(OC)c1 ZINC000069288696 519999292 /nfs/dbraw/zinc/99/92/92/519999292.db2.gz HWGNCLYHFYLGNV-UHFFFAOYSA-N 1 0 265.353 2.363 10 0 CEAERO CCOCCO[C@@H](C[NH2+]C)c1cccc(OC)c1 ZINC000050489695 520019213 /nfs/dbraw/zinc/01/92/13/520019213.db2.gz RVXVJHZNXXFKKJ-AWEZNQCLSA-N 1 0 253.342 2.009 10 0 CEAERO CC(C)n1ccnc(NC[C@@H](C)C[NH+]2CCCCC2)c1=O ZINC000061763957 520022102 /nfs/dbraw/zinc/02/21/02/520022102.db2.gz ISEBIWRUTLOXFT-CQSZACIVSA-N 1 0 292.427 2.358 10 0 CEAERO CCC[NH2+][C@@H]1CCOC[C@H]1N1Cc2ccccc2C1 ZINC000050911229 520025269 /nfs/dbraw/zinc/02/52/69/520025269.db2.gz WWNKXRHWFFWCBN-HZPDHXFCSA-N 1 0 260.381 2.159 10 0 CEAERO CC[NH2+]Cc1sc(N2CCN(CC)CC2)nc1C1CC1 ZINC000069146563 520035013 /nfs/dbraw/zinc/03/50/13/520035013.db2.gz NYDGVLQZVUEGGB-UHFFFAOYSA-N 1 0 294.468 2.272 10 0 CEAERO CCC[NH2+][C@@](C)(C[C@@H](C)n1nc(C)c(CC)c1C)C(N)=O ZINC000068649211 520043210 /nfs/dbraw/zinc/04/32/10/520043210.db2.gz XVFMZXOUHIDZSX-BZNIZROVSA-N 1 0 294.443 2.257 10 0 CEAERO CCC[NH2+][C@@](CSc1nc(C)cs1)(C(N)=O)C1CC1 ZINC000069187879 520056762 /nfs/dbraw/zinc/05/67/62/520056762.db2.gz ZRTTUMJIZBETTR-CYBMUJFWSA-N 1 0 299.465 2.177 10 0 CEAERO CCC[NH2+][C@H](C)c1c(C)nn(Cc2cnn(C)c2)c1C ZINC000054718422 520064316 /nfs/dbraw/zinc/06/43/16/520064316.db2.gz QKNLXSJMSFRNCA-LLVKDONJSA-N 1 0 275.400 2.342 10 0 CEAERO CCC[NH2+][C@H](C)c1ccccc1OC[C@@H](O)COC ZINC000069053551 520065431 /nfs/dbraw/zinc/06/54/31/520065431.db2.gz UIMYIVNIKHQTSW-OLZOCXBDSA-N 1 0 267.369 2.133 10 0 CEAERO CCC[NH2+][C@H](C)c1ccc(OC[C@@H](O)COC)c(OC)c1 ZINC000069053539 520066141 /nfs/dbraw/zinc/06/61/41/520066141.db2.gz DOPHUVIJHVGYRV-OCCSQVGLSA-N 1 0 297.395 2.142 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N[C@H](C)c1ccc(OC)cc1OC ZINC000061270232 520067193 /nfs/dbraw/zinc/06/71/93/520067193.db2.gz SYMQMXPIOQOXSE-NWDGAFQWSA-N 1 0 294.395 2.269 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000061268849 520069446 /nfs/dbraw/zinc/06/94/46/520069446.db2.gz FLKQKLBXOUFEAF-NSHDSACASA-N 1 0 278.352 2.175 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1ccccc1COC ZINC000061270302 520070621 /nfs/dbraw/zinc/07/06/21/520070621.db2.gz QLEYRCXBHMHZMU-NSHDSACASA-N 1 0 250.342 2.160 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(OC)c(CN2CCN(C)C2=O)c1 ZINC000052885559 520077038 /nfs/dbraw/zinc/07/70/38/520077038.db2.gz GJZQMHXRCAEJIS-LBPRGKRZSA-N 1 0 291.395 2.233 10 0 CEAERO CCCN[C@H](CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)OC ZINC000062451567 520077809 /nfs/dbraw/zinc/07/78/09/520077809.db2.gz LIOOGYJNQZXJFZ-ARFHVFGLSA-N 1 0 296.455 2.430 10 0 CEAERO CCC[NH2+][C@H](CN1C(=O)c2ccccc2C1=O)C1CC1 ZINC000069076655 520083086 /nfs/dbraw/zinc/08/30/86/520083086.db2.gz HSDYBOLZZGHJDV-CQSZACIVSA-N 1 0 272.348 2.061 10 0 CEAERO CCCN[C@H](C[NH+]1CCC(CCC)CC1)C(=O)OC ZINC000050905873 520083156 /nfs/dbraw/zinc/08/31/56/520083156.db2.gz UGKPGXLQLKPDFQ-CQSZACIVSA-N 1 0 270.417 2.040 10 0 CEAERO CCC[NH2+][C@H]1CCOC[C@@H]1N1Cc2ccccc2C1 ZINC000050911228 520096445 /nfs/dbraw/zinc/09/64/45/520096445.db2.gz WWNKXRHWFFWCBN-HOTGVXAUSA-N 1 0 260.381 2.159 10 0 CEAERO CCOC[C@@H](O)COc1ccc2c(c1)OC(C)(C)C[C@@H]2[NH3+] ZINC000069275726 520107274 /nfs/dbraw/zinc/10/72/74/520107274.db2.gz PGAVSNWQKVBEJQ-RISCZKNCSA-N 1 0 295.379 2.024 10 0 CEAERO CC[NH2+][C@@H](Cn1nc(C)ccc1=O)c1ccc(CC)cc1 ZINC000061810200 520108317 /nfs/dbraw/zinc/10/83/17/520108317.db2.gz ZQCORWFKKUBYLZ-INIZCTEOSA-N 1 0 285.391 2.465 10 0 CEAERO CC[NH2+][C@@H](c1ccc2c(c1)CCC(=O)N2C)[C@H]1CCCO1 ZINC000062806659 520111388 /nfs/dbraw/zinc/11/13/88/520111388.db2.gz CQBWMBNTXCDTIS-WBVHZDCISA-N 1 0 288.391 2.425 10 0 CEAERO CC[NH2+][C@@H](c1ccc(OC)cc1Cl)[C@@H]1COCCO1 ZINC000055300801 520112621 /nfs/dbraw/zinc/11/26/21/520112621.db2.gz UYYMWBKTPAVXAR-KBPBESRZSA-N 1 0 285.771 2.415 10 0 CEAERO CC[NH2+][C@@H](c1ccnn1C)c1ccc(F)c(F)c1 ZINC000069467403 520114144 /nfs/dbraw/zinc/11/41/44/520114144.db2.gz QPXHGAWBODSIEF-CYBMUJFWSA-N 1 0 251.280 2.397 10 0 CEAERO CC[NH2+][C@@H]1CCCc2nc(N3CCN(CC)CC3)sc21 ZINC000054899368 520119226 /nfs/dbraw/zinc/11/92/26/520119226.db2.gz CWGLYYLBLNVCLK-GFCCVEGCSA-N 1 0 294.468 2.272 10 0 CEAERO CC[NH2+][C@@H]1CCc2c1cccc2OCc1nnc(C)n1C ZINC000062799746 520123101 /nfs/dbraw/zinc/12/31/01/520123101.db2.gz VIXSHXSDSOAELS-CQSZACIVSA-N 1 0 286.379 2.299 10 0 CEAERO CC[NH2+][C@@H]1COc2cc(O[C@@H](C)C(=O)OCC)ccc21 ZINC000062804635 520124116 /nfs/dbraw/zinc/12/41/16/520124116.db2.gz SNSKZJSMIUCPPH-GXFFZTMASA-N 1 0 279.336 2.060 10 0 CEAERO CC[NH2+][C@@H]1COc2cc(OCC(=O)OC(C)C)ccc21 ZINC000062804551 520124317 /nfs/dbraw/zinc/12/43/17/520124317.db2.gz TVAYUPZSXQDHJJ-CYBMUJFWSA-N 1 0 279.336 2.060 10 0 CEAERO CC[NH2+][C@H]1C(=O)Nc2cc(Sc3nnc(C)o3)ccc21 ZINC000051038263 520125473 /nfs/dbraw/zinc/12/54/73/520125473.db2.gz KAOKTXZXVVHPHW-LLVKDONJSA-N 1 0 290.348 2.132 10 0 CEAERO CCCNc1cc(C(=O)N[C@@H](C)C[NH+](CC)CC)ccn1 ZINC000050780592 520132223 /nfs/dbraw/zinc/13/22/23/520132223.db2.gz MIYHRROIAKAMNE-ZDUSSCGKSA-N 1 0 292.427 2.364 10 0 CEAERO CCCNc1ccc(C)cc1C(=O)NC[C@H](C)[NH+](C)C ZINC000053004147 520153896 /nfs/dbraw/zinc/15/38/96/520153896.db2.gz QGJXNOMFYSMXSP-ZDUSSCGKSA-N 1 0 277.412 2.497 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)NCc1ccccc1Cl ZINC000061268897 520167591 /nfs/dbraw/zinc/16/75/91/520167591.db2.gz AKBDOFKBHWAINL-SNVBAGLBSA-N 1 0 254.761 2.344 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N[C@H](C)c1cccc(F)c1 ZINC000061273687 520168103 /nfs/dbraw/zinc/16/81/03/520168103.db2.gz ZEVROTHHOJBBJW-GHMZBOCLSA-N 1 0 252.333 2.391 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1cccc(OCCOC)c1 ZINC000061271570 520170604 /nfs/dbraw/zinc/17/06/04/520170604.db2.gz TVGYESDQOJVLIP-GFCCVEGCSA-N 1 0 280.368 2.038 10 0 CEAERO CC[NH2+][C@H](C)c1c(C)nn(C[C@H]2CCOC2)c1C ZINC000054718247 520175992 /nfs/dbraw/zinc/17/59/92/520175992.db2.gz WKWVZWLZYIHVQB-ZWNOBZJWSA-N 1 0 251.374 2.207 10 0 CEAERO CC[NH2+][C@H](C)c1nc2cc(Br)cnc2[nH]1 ZINC000062366671 520180998 /nfs/dbraw/zinc/18/09/98/520180998.db2.gz MPHBMYWFZPRZHK-ZCFIWIBFSA-N 1 0 269.146 2.391 10 0 CEAERO CCCNc1ncccc1CN1CC[NH+](CCC)CC1 ZINC000052709704 520195995 /nfs/dbraw/zinc/19/59/95/520195995.db2.gz DCYNNUJYHUNMEB-UHFFFAOYSA-N 1 0 276.428 2.431 10 0 CEAERO CC[NH2+][C@H](CS(C)(=O)=O)c1cccc(Cl)c1 ZINC000052789124 520200357 /nfs/dbraw/zinc/20/03/57/520200357.db2.gz OKSALEHUNIBDFA-LLVKDONJSA-N 1 0 261.774 2.035 10 0 CEAERO CC[NH2+][C@H](Cc1cnn(C)c1)Cc1ccc(OC)cc1 ZINC000050543035 520203552 /nfs/dbraw/zinc/20/35/52/520203552.db2.gz HEMLBDPFWCCTAU-HNNXBMFYSA-N 1 0 273.380 2.192 10 0 CEAERO CC[NH2+][C@H](Cc1cnn(C)c1)c1ccc(OC)cc1 ZINC000050542236 520204077 /nfs/dbraw/zinc/20/40/77/520204077.db2.gz ZSKNFIWOSORTAA-OAHLLOKOSA-N 1 0 259.353 2.322 10 0 CEAERO CC[NH2+][C@H](c1ccc(OC)c(Cl)c1)[C@@H]1COCCO1 ZINC000055299865 520208519 /nfs/dbraw/zinc/20/85/19/520208519.db2.gz LZTFCGIDLGTXPF-UONOGXRCSA-N 1 0 285.771 2.415 10 0 CEAERO CCOCc1ccccc1C[NH2+]CCCCCO ZINC000051020923 520214060 /nfs/dbraw/zinc/21/40/60/520214060.db2.gz GCZSSLVSXQWSBO-UHFFFAOYSA-N 1 0 251.370 2.475 10 0 CEAERO CCCCCNC(=O)[C@H](C)[NH2+][C@H](CC(C)C)CN(C)C ZINC000049555839 520217009 /nfs/dbraw/zinc/21/70/09/520217009.db2.gz TZRCIOOLNXMBAM-LSDHHAIUSA-N 1 0 285.476 2.247 10 0 CEAERO CC[NH2+][C@H]1CCc2c1cccc2O[C@@H](C)C(=O)N(C)C ZINC000062799699 520219909 /nfs/dbraw/zinc/21/99/09/520219909.db2.gz VEEQHKTWCKDSLL-FZMZJTMJSA-N 1 0 276.380 2.139 10 0 CEAERO CC[NH2+][C@H]1COc2cc(OC[C@H]3CCOC3)ccc21 ZINC000062804582 520221367 /nfs/dbraw/zinc/22/13/67/520221367.db2.gz GOMMEGAXTUNWSY-FZMZJTMJSA-N 1 0 263.337 2.145 10 0 CEAERO CCN[C@](C)(CC[N@H+](CC)CC1CC1)C(=O)OCC ZINC000069239438 520230163 /nfs/dbraw/zinc/23/01/63/520230163.db2.gz AYUWCLKGXUELTO-OAHLLOKOSA-N 1 0 270.417 2.040 10 0 CEAERO CCN[C@](C)(C[C@H](C)[N@@H+]1CCC[C@H](C(C)C)CC1)C(N)=O ZINC000068648125 520239595 /nfs/dbraw/zinc/23/95/95/520239595.db2.gz BZUDOFCBFNNCQD-YQQAZPJKSA-N 1 0 297.487 2.377 10 0 CEAERO CC[NH2+][C@](CSc1ccc(OC)cc1)(C(N)=O)C1CC1 ZINC000069186981 520253251 /nfs/dbraw/zinc/25/32/51/520253251.db2.gz TXSMBBKYKODPNF-HNNXBMFYSA-N 1 0 294.420 2.031 10 0 CEAERO CCO[C@@H]1CCCN(c2nc(C)c([C@@H](C)[NH3+])s2)C1 ZINC000054898709 520322395 /nfs/dbraw/zinc/32/23/95/520322395.db2.gz CXVNUBOYVCXRDG-MWLCHTKSSA-N 1 0 269.414 2.477 10 0 CEAERO CCNc1ccnc(C(=O)N2CC[NH+]([C@@H](C)CC)CC2)c1 ZINC000055085339 520344643 /nfs/dbraw/zinc/34/46/43/520344643.db2.gz YJZVCGLMUAGYKW-ZDUSSCGKSA-N 1 0 290.411 2.070 10 0 CEAERO CCCOc1ccc([C@@](C)(O)C[NH3+])cc1OCCC ZINC000055032636 520423730 /nfs/dbraw/zinc/42/37/30/520423730.db2.gz DFXMNNRSDWJKOS-HNNXBMFYSA-N 1 0 267.369 2.430 10 0 CEAERO CCCOc1ccc([C@H]([NH2+]CC(C)C)C(N)=O)cc1 ZINC000052920236 520430298 /nfs/dbraw/zinc/43/02/98/520430298.db2.gz AGDVUYVBHPACAV-AWEZNQCLSA-N 1 0 264.369 2.247 10 0 CEAERO CCCOc1cccc([C@H]([NH2+]C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000052921185 520469550 /nfs/dbraw/zinc/46/95/50/520469550.db2.gz GXNFQLITROTKNJ-HIFRSBDPSA-N 1 0 297.420 2.171 10 0 CEAERO CCCC[N@H+](CC)CC[C@@H](NC(C)C)C(=O)OC ZINC000062438357 520476014 /nfs/dbraw/zinc/47/60/14/520476014.db2.gz RXEMWKZAUVXKPG-CYBMUJFWSA-N 1 0 258.406 2.038 10 0 CEAERO CCO[C@H]1CCCN(c2ccccc2C[NH2+]CCOC)C1 ZINC000062737551 520527066 /nfs/dbraw/zinc/52/70/66/520527066.db2.gz YQRZLLZRRFHHFG-INIZCTEOSA-N 1 0 292.423 2.428 10 0 CEAERO CC[NH+](CC)CCCNC(=O)c1cn2c(cccc2C)n1 ZINC000054457178 520620597 /nfs/dbraw/zinc/62/05/97/520620597.db2.gz UKFQRPNZDRHUEI-UHFFFAOYSA-N 1 0 288.395 2.104 10 0 CEAERO CCOC(=O)CCC[NH2+][C@H]1CCc2ccccc2C1 ZINC000070248046 520659953 /nfs/dbraw/zinc/65/99/53/520659953.db2.gz IVQSOKPQTUWUAP-HNNXBMFYSA-N 1 0 261.365 2.477 10 0 CEAERO CCC[C@@H](CC)NS(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050406163 520687242 /nfs/dbraw/zinc/68/72/42/520687242.db2.gz DECDBPNTVQBMDZ-OLZOCXBDSA-N 1 0 276.446 2.017 10 0 CEAERO CCCCOC[C@H](O)C[N@@H+]1CCc2ccsc2C1 ZINC000279677856 520810618 /nfs/dbraw/zinc/81/06/18/520810618.db2.gz GFRRKZVSNZJZFK-CYBMUJFWSA-N 1 0 269.410 2.284 10 0 CEAERO CCC[C@@H]1CCc2[nH]c(C[NH2+]CCOC)nc2C1 ZINC000069236667 520832087 /nfs/dbraw/zinc/83/20/87/520832087.db2.gz MGYYOVGIPQRIIQ-LLVKDONJSA-N 1 0 251.374 2.051 10 0 CEAERO CCC[C@@](C)(CO)CN1CC[NH+](CC(C)C)CC1 ZINC000055082288 520910742 /nfs/dbraw/zinc/91/07/42/520910742.db2.gz QVDDWLWARNCUOT-OAHLLOKOSA-N 1 0 256.434 2.059 10 0 CEAERO CCC[C@@](C)([NH3+])C(=O)Nc1ccccc1[C@@H](C)O ZINC000049547228 520921501 /nfs/dbraw/zinc/92/15/01/520921501.db2.gz APGVVSRJPMHABI-QMTHXVAHSA-N 1 0 250.342 2.196 10 0 CEAERO CC1CCC(CO)([NH2+]C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000053118361 520925654 /nfs/dbraw/zinc/92/56/54/520925654.db2.gz RFGOSRGYSZAJFN-DSSZZKGTSA-N 1 0 281.371 2.390 10 0 CEAERO CC1CCC(OC(=O)c2c[nH]c(C3([NH3+])CCC3)n2)CC1 ZINC000048633133 520958192 /nfs/dbraw/zinc/95/81/92/520958192.db2.gz DZXHJZDRXZQUTK-UHFFFAOYSA-N 1 0 277.368 2.483 10 0 CEAERO CC[N@H+](CC1CC1)[C@@H](C)C(=O)Nc1ccc(F)c(N)c1 ZINC000069237076 520963893 /nfs/dbraw/zinc/96/38/93/520963893.db2.gz DOFDGIQEPLCLAT-JTQLQIEISA-N 1 0 279.359 2.467 10 0 CEAERO CC[N@H+](CC1CC1)[C@@H](C)C(=O)Nc1ccc(F)cc1N ZINC000069236906 520964784 /nfs/dbraw/zinc/96/47/84/520964784.db2.gz VDNHDMKEMZEYGL-JTQLQIEISA-N 1 0 279.359 2.467 10 0 CEAERO CC[N@H+](CC1CC1)[C@H](C)C(=O)Nc1ccc(OC)cc1N ZINC000069237156 520968302 /nfs/dbraw/zinc/96/83/02/520968302.db2.gz DBWAVBOZZRIOQR-LLVKDONJSA-N 1 0 291.395 2.336 10 0 CEAERO CC[N@H+](CC1CC1)[C@]1(CN)CCN(Cc2ccccc2)C1 ZINC000069237472 520970452 /nfs/dbraw/zinc/97/04/52/520970452.db2.gz DKXNNTUTDZFWDC-SFHVURJKSA-N 1 0 287.451 2.322 10 0 CEAERO CCCC[C@@H](C)[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000050888471 521007930 /nfs/dbraw/zinc/00/79/30/521007930.db2.gz GJEGCKQXPYBQQC-DOMZBBRYSA-N 1 0 299.436 2.292 10 0 CEAERO CCOC(=O)[C@@H](C)Oc1c(C)cc(C[NH3+])cc1C ZINC000049954651 521031499 /nfs/dbraw/zinc/03/14/99/521031499.db2.gz QTTWMNHZZIQKOO-LLVKDONJSA-N 1 0 251.326 2.093 10 0 CEAERO CCOC(=O)[C@@H](C)Oc1ccc(C[C@@H]([NH3+])CC)cc1 ZINC000049955373 521032139 /nfs/dbraw/zinc/03/21/39/521032139.db2.gz FQXIEUBTJRADPO-YPMHNXCESA-N 1 0 265.353 2.297 10 0 CEAERO CCCC[C@@H](C[NH2+]CCC)[C@@H]1CCS(=O)(=O)C1 ZINC000052950791 521049804 /nfs/dbraw/zinc/04/98/04/521049804.db2.gz QPPXTFNHUCXNOU-QWHCGFSZSA-N 1 0 261.431 2.227 10 0 CEAERO CCC[C@H]([NH3+])c1noc(-c2ccc3nccnc3c2)n1 ZINC000061418793 521121444 /nfs/dbraw/zinc/12/14/44/521121444.db2.gz RBWMYWFZMKAJDA-JTQLQIEISA-N 1 0 269.308 2.480 10 0 CEAERO CCOC(=O)[C@@](C)(C[C@H](C)[N@H+](CC1CC1)C(C)C)NC ZINC000068637959 521149142 /nfs/dbraw/zinc/14/91/42/521149142.db2.gz KCROUOGYSOVFIA-XJKSGUPXSA-N 1 0 284.444 2.427 10 0 CEAERO CCN(CC[C@@H]([NH2+]C(C)C)C(N)=O)c1ccccc1C ZINC000062438009 521155722 /nfs/dbraw/zinc/15/57/22/521155722.db2.gz WBMUVHQQAXZPBO-CQSZACIVSA-N 1 0 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ZDVREHZJBGEGTM-IAGOWNOFSA-N 1 0 292.423 2.455 10 0 CEAERO CCOc1ccc([C@H](C)[NH2+]C)cc1CN1CCN(C)C1=O ZINC000052885609 521258057 /nfs/dbraw/zinc/25/80/57/521258057.db2.gz WMWFXDUMSDJACZ-LBPRGKRZSA-N 1 0 291.395 2.233 10 0 CEAERO CCC[C@](C)(C[NH2+]C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000054656913 521267028 /nfs/dbraw/zinc/26/70/28/521267028.db2.gz SRBRXUUFTXENGE-CHWSQXEVSA-N 1 0 261.431 2.226 10 0 CEAERO CCN(C[C@H]1CC[C@H](C[NH3+])O1)c1ccc(F)cc1 ZINC000052512199 521272767 /nfs/dbraw/zinc/27/27/67/521272767.db2.gz UATJMXHRMGQKBX-ZIAGYGMSSA-N 1 0 252.333 2.158 10 0 CEAERO CCC[C@]1(C(=O)NCc2ccc(F)cc2)CC[NH2+]C1 ZINC000062889269 521298827 /nfs/dbraw/zinc/29/88/27/521298827.db2.gz PBRKWOMNWRLULO-HNNXBMFYSA-N 1 0 264.344 2.222 10 0 CEAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@@H](CC(C)C)CN(C)C ZINC000049555880 521331631 /nfs/dbraw/zinc/33/16/31/521331631.db2.gz ULOHBVXYDJEJRW-KGLIPLIRSA-N 1 0 285.476 2.246 10 0 CEAERO CCOC(=O)[C@](C[NH+]1CCC(C)CC1)(NC(C)C)C1CC1 ZINC000069092655 521340443 /nfs/dbraw/zinc/34/04/43/521340443.db2.gz BKZOKQBOGFJDOU-QGZVFWFLSA-N 1 0 296.455 2.428 10 0 CEAERO CCN(Cc1cccs1)c1ccnc(C(N)=[NH2+])c1 ZINC000061814210 521409119 /nfs/dbraw/zinc/40/91/19/521409119.db2.gz DIZBXPMTAYISFO-UHFFFAOYSA-N 1 0 260.366 2.454 10 0 CEAERO CCN(Cc1cccs1)Cc1ccnc(C(N)=[NH2+])c1 ZINC000068761403 521409502 /nfs/dbraw/zinc/40/95/02/521409502.db2.gz JWNMJUMRVVGMFD-UHFFFAOYSA-N 1 0 274.393 2.449 10 0 CEAERO CCCc1ccc([C@@H]([NH3+])C(C)(C)S(C)(=O)=O)cc1 ZINC000070128362 521415000 /nfs/dbraw/zinc/41/50/00/521415000.db2.gz AHXFMMJRUOQRAG-CYBMUJFWSA-N 1 0 269.410 2.462 10 0 CEAERO CCC(CC)(C[NH3+])C(=O)N[C@H](C)Cc1ccccc1 ZINC000062187355 521426452 /nfs/dbraw/zinc/42/64/52/521426452.db2.gz PHVXPGSMIRMJEM-CYBMUJFWSA-N 1 0 262.397 2.499 10 0 CEAERO CCC(CC)(C[NH3+])[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000054636527 521430059 /nfs/dbraw/zinc/43/00/59/521430059.db2.gz VTAVKIROCLARND-GFCCVEGCSA-N 1 0 267.394 2.323 10 0 CEAERO CCCN(C(=O)[C@H]1CCCCO1)c1ccc(C[NH3+])cc1 ZINC000050958413 521438360 /nfs/dbraw/zinc/43/83/60/521438360.db2.gz SSBPQZWLUAKCNM-OAHLLOKOSA-N 1 0 276.380 2.457 10 0 CEAERO CCN(Cc1cnn(CC)c1)C(CC)(CC)C[NH3+] ZINC000050539293 521438503 /nfs/dbraw/zinc/43/85/03/521438503.db2.gz UWGDIFPUJLSUNQ-UHFFFAOYSA-N 1 0 252.406 2.242 10 0 CEAERO CCN(Cc1csc(C[NH2+]C)n1)CC(F)(F)F ZINC000052502948 521444073 /nfs/dbraw/zinc/44/40/73/521444073.db2.gz UVZAOMRDRQXZJL-UHFFFAOYSA-N 1 0 267.320 2.247 10 0 CEAERO CCCN(C(C)(C)C[NH3+])S(=O)(=O)C1CCCCC1 ZINC000050093369 521452001 /nfs/dbraw/zinc/45/20/01/521452001.db2.gz FTYQIHUFXINWFP-UHFFFAOYSA-N 1 0 276.446 2.098 10 0 CEAERO CCN([C@@H](C[NH3+])c1ccc(F)c(C)c1)[C@@H](C)COC ZINC000050558541 521473404 /nfs/dbraw/zinc/47/34/04/521473404.db2.gz XFBAUZGPKMMBSZ-WFASDCNBSA-N 1 0 268.376 2.491 10 0 CEAERO CCN(c1nc(C)c([C@H](C)[NH3+])s1)[C@@H](C)COC ZINC000054896660 521505730 /nfs/dbraw/zinc/50/57/30/521505730.db2.gz YWUUEPFFXHSZAN-IUCAKERBSA-N 1 0 257.403 2.332 10 0 CEAERO CCN1C(=O)CCC[C@@H]([NH3+])[C@@H]1c1ccccc1OC ZINC000070294886 521517075 /nfs/dbraw/zinc/51/70/75/521517075.db2.gz WFLHULYHGDKQEP-DOMZBBRYSA-N 1 0 262.353 2.096 10 0 CEAERO CCCc1nc(N(C)[C@@H]2CCC[N@H+](C)C2)sc1CO ZINC000055003697 521529477 /nfs/dbraw/zinc/52/94/77/521529477.db2.gz WIYMXWIQNDHJTI-LLVKDONJSA-N 1 0 283.441 2.118 10 0 CEAERO CCC(CC)[N@H+](CCO)Cc1cccnc1NC ZINC000052729118 521553319 /nfs/dbraw/zinc/55/33/19/521553319.db2.gz XZFDQPNGUFIOEI-UHFFFAOYSA-N 1 0 251.374 2.106 10 0 CEAERO CCN1CCC([N@H+](C)CCc2ccccc2N)CC1 ZINC000052918649 521560112 /nfs/dbraw/zinc/56/01/12/521560112.db2.gz IBSXQEBDDCJFAE-UHFFFAOYSA-N 1 0 261.413 2.227 10 0 CEAERO CCOc1ncccc1NC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000052881894 521625219 /nfs/dbraw/zinc/62/52/19/521625219.db2.gz LXLXVAZZDKIJOW-INIZCTEOSA-N 1 0 285.347 2.293 10 0 CEAERO CCCN(CC1CC1)c1nc2ccccn2c1C[NH3+] ZINC000048995415 521627382 /nfs/dbraw/zinc/62/73/82/521627382.db2.gz NGZHTHXRVFFNEH-UHFFFAOYSA-N 1 0 258.369 2.419 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2nc(Cl)nc(Cl)n2)C1 ZINC000061518652 521627584 /nfs/dbraw/zinc/62/75/84/521627584.db2.gz AUHLXCWXDCKJOY-SSDOTTSWSA-N 1 0 276.171 2.075 10 0 CEAERO CCCn1c(S[C@H](c2ccsc2)[C@H](C)[NH3+])n[nH]c1=O ZINC000061594924 521635676 /nfs/dbraw/zinc/63/56/76/521635676.db2.gz QAQFVTGRQGGQQD-WPRPVWTQSA-N 1 0 298.437 2.224 10 0 CEAERO CCCn1c2cc(F)ccc2nc1[C@H]1C[NH2+]CCO1 ZINC000052124926 521636272 /nfs/dbraw/zinc/63/62/72/521636272.db2.gz XJKVVHGICOLCEE-CYBMUJFWSA-N 1 0 263.316 2.246 10 0 CEAERO CCCn1cc(N)cc1C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000049550983 521654074 /nfs/dbraw/zinc/65/40/74/521654074.db2.gz PGLXSZDFNDKNOQ-AWEZNQCLSA-N 1 0 294.443 2.186 10 0 CEAERO CCOC1CCN(c2nc(CC)c(C[NH2+]C)s2)CC1 ZINC000054998382 521657856 /nfs/dbraw/zinc/65/78/56/521657856.db2.gz RMANSIFSKYYXIK-UHFFFAOYSA-N 1 0 283.441 2.430 10 0 CEAERO CCCN(CC[NH+](C)C)Cc1ccc(NCC)nc1 ZINC000050816481 521657953 /nfs/dbraw/zinc/65/79/53/521657953.db2.gz RMGMGJDWCMGJBP-UHFFFAOYSA-N 1 0 264.417 2.287 10 0 CEAERO CCCn1ccnc(N2CCCC[C@@H]2C[NH2+]C(C)C)c1=O ZINC000061775226 521659540 /nfs/dbraw/zinc/65/95/40/521659540.db2.gz LFTCWLDYXWOCDB-CQSZACIVSA-N 1 0 292.427 2.010 10 0 CEAERO CCCn1nccc1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000150851925 521676328 /nfs/dbraw/zinc/67/63/28/521676328.db2.gz URAFMDGFUVQJPL-STQMWFEESA-N 1 0 293.415 2.143 10 0 CEAERO CCOCCC(=O)Nc1ccccc1[C@@H](C)[NH2+]C ZINC000053732960 521677445 /nfs/dbraw/zinc/67/74/45/521677445.db2.gz KGWCYTZDMSYCKA-LLVKDONJSA-N 1 0 250.342 2.332 10 0 CEAERO CCCN1C(=O)CC[C@@H]([NH3+])[C@H]1c1ccc(OC)c(OC)c1 ZINC000062212132 521699156 /nfs/dbraw/zinc/69/91/56/521699156.db2.gz DXZKCLIEUVGJMM-MLGOLLRUSA-N 1 0 292.379 2.105 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]C)[C@@H]1c1ccc(OC(C)C)cc1 ZINC000070288041 521706215 /nfs/dbraw/zinc/70/62/15/521706215.db2.gz BWUSREOJHVDRSC-IRXDYDNUSA-N 1 0 292.423 2.455 10 0 CEAERO CCNC(=O)c1ccc(C)c(NC(=O)C[C@@H](C)[NH2+]CC)c1 ZINC000061271305 521747270 /nfs/dbraw/zinc/74/72/70/521747270.db2.gz KMVWCNCFCMWFQB-GFCCVEGCSA-N 1 0 291.395 2.071 10 0 CEAERO COc1c(C)cnc(COC[C@@H]2CCC[NH2+]C2)c1C ZINC000051815208 521814822 /nfs/dbraw/zinc/81/48/22/521814822.db2.gz HNAZKVGDLXLPGU-CYBMUJFWSA-N 1 0 264.369 2.223 10 0 CEAERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cccc2c1NCCC2 ZINC000061652109 521834503 /nfs/dbraw/zinc/83/45/03/521834503.db2.gz WMXMRLFTQHKXQY-AWEZNQCLSA-N 1 0 287.407 2.211 10 0 CEAERO CCc1ccccc1C[NH2+][C@@H](C)CN1CCOCC1 ZINC000052201127 521841880 /nfs/dbraw/zinc/84/18/80/521841880.db2.gz PVVGMWFLULPUEL-AWEZNQCLSA-N 1 0 262.397 2.059 10 0 CEAERO C[NH+](C)C[C@H](NC(=O)c1ccncc1)c1ccccc1 ZINC000052554663 521859973 /nfs/dbraw/zinc/85/99/73/521859973.db2.gz RRGKQBXYYQEACK-HNNXBMFYSA-N 1 0 269.348 2.114 10 0 CEAERO C[NH+](C)C[C@H](O)CNc1cc(C(F)(F)F)ccc1F ZINC000062656505 521861715 /nfs/dbraw/zinc/86/17/15/521861715.db2.gz WHVYQFASIOWENR-SECBINFHSA-N 1 0 280.265 2.179 10 0 CEAERO CCc1ccccc1O[C@H](C)C[C@@](C)([NH2+]C1CC1)C(N)=O ZINC000068657441 521925554 /nfs/dbraw/zinc/92/55/54/521925554.db2.gz AEGGMYUBWHLQJV-SJKOYZFVSA-N 1 0 290.407 2.402 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N(C)[C@@H](C)c1ccccc1F ZINC000061317165 521932250 /nfs/dbraw/zinc/93/22/50/521932250.db2.gz WUYNGJGCXIBISC-JTQLQIEISA-N 1 0 252.333 2.343 10 0 CEAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(Cl)cc1C(=O)OC ZINC000061300714 521939931 /nfs/dbraw/zinc/93/99/31/521939931.db2.gz IVXSXLWSWHNXCF-UHFFFAOYSA-N 1 0 284.743 2.063 10 0 CEAERO C[NH2+]C(C)(C)C(=O)Nc1sc(C)c(C)c1C(=O)OC ZINC000061318604 521944469 /nfs/dbraw/zinc/94/44/69/521944469.db2.gz QSJIKARHOCPVCA-UHFFFAOYSA-N 1 0 284.381 2.088 10 0 CEAERO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CC[C@@H]1CCCO1 ZINC000054602741 521952334 /nfs/dbraw/zinc/95/23/34/521952334.db2.gz BGXLCDMTOFUSEC-DKUMPPAJSA-N 1 0 252.402 2.160 10 0 CEAERO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2[C@@H](CC(C)C)C(=O)OC ZINC000054602685 521954505 /nfs/dbraw/zinc/95/45/05/521954505.db2.gz ODKUDGVZNFXVCJ-DKUMPPAJSA-N 1 0 282.428 2.179 10 0 CEAERO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1cnc(C)s1 ZINC000054629142 521957328 /nfs/dbraw/zinc/95/73/28/521957328.db2.gz FICLMJFMJAJFJM-YOGCLGLASA-N 1 0 251.399 2.166 10 0 CEAERO C[NH2+]CC[C@@H]1CCCCN1Cc1noc(-c2ccco2)n1 ZINC000070193660 522018508 /nfs/dbraw/zinc/01/85/08/522018508.db2.gz IZSWNFFBOINNFV-LBPRGKRZSA-N 1 0 290.367 2.294 10 0 CEAERO C[NH2+]CCc1nnc(C23CC4CC(CC(C4)C2)C3)o1 ZINC000050619458 522023088 /nfs/dbraw/zinc/02/30/88/522023088.db2.gz AJEXLVTZGMPVMG-UHFFFAOYSA-N 1 0 261.369 2.299 10 0 CEAERO COCCc1nc(C)c([C@H](C)C[NH2+]C(C)C)c(C)n1 ZINC000054855001 522031240 /nfs/dbraw/zinc/03/12/40/522031240.db2.gz QYBWIHJPDOWZFE-LLVKDONJSA-N 1 0 265.401 2.384 10 0 CEAERO C[NH2+]C[C@@H](C)c1c(C)nc(Cc2cccnc2)nc1C ZINC000054854617 522032243 /nfs/dbraw/zinc/03/22/43/522032243.db2.gz IFQUAVKJGYXABJ-LLVKDONJSA-N 1 0 270.380 2.402 10 0 CEAERO C[NH2+]C[C@@H]1CCCCN1Cc1cc(F)ccc1OC ZINC000063169081 522039687 /nfs/dbraw/zinc/03/96/87/522039687.db2.gz AOLPDSIXPARMMB-AWEZNQCLSA-N 1 0 266.360 2.408 10 0 CEAERO C[NH2+]C[C@@H]1Cc2ccccc2CN1c1cc(C)nc(C)n1 ZINC000053663884 522061030 /nfs/dbraw/zinc/06/10/30/522061030.db2.gz OBGAZRTXPFERPC-INIZCTEOSA-N 1 0 282.391 2.244 10 0 CEAERO C[NH2+]C[C@@H]1CC[C@H](COc2ccccc2Cl)O1 ZINC000052664742 522061200 /nfs/dbraw/zinc/06/12/00/522061200.db2.gz HTRWXFGWWNJRJX-WDEREUQCSA-N 1 0 255.745 2.486 10 0 CEAERO C[NH2+]C[C@H](C)CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000052443450 522069998 /nfs/dbraw/zinc/06/99/98/522069998.db2.gz VYEIBCXXHKYXEY-ZDUSSCGKSA-N 1 0 281.831 2.318 10 0 CEAERO C[NH2+]C[C@H]1CC[C@@H](CN(CC(F)(F)F)C(C)C)O1 ZINC000052502880 522094316 /nfs/dbraw/zinc/09/43/16/522094316.db2.gz YBZDESKNCSPAOH-MNOVXSKESA-N 1 0 268.323 2.026 10 0 CEAERO C[NH2+]C[C@H](OCCOC(C)C)c1ccc(OC)cc1 ZINC000050494884 522076587 /nfs/dbraw/zinc/07/65/87/522076587.db2.gz LFVUHWBVRKKKAM-HNNXBMFYSA-N 1 0 267.369 2.397 10 0 CEAERO CC[C@@H](C)N(CCOC)C(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050951478 522089471 /nfs/dbraw/zinc/08/94/71/522089471.db2.gz SVNXVTDIPGJCRY-ZIAGYGMSSA-N 1 0 270.417 2.182 10 0 CEAERO C[NH2+]C[C@H]1CC[C@@H](CN2CCCc3ccccc32)O1 ZINC000052421623 522093579 /nfs/dbraw/zinc/09/35/79/522093579.db2.gz COFBLLUVBDIHMG-CABCVRRESA-N 1 0 260.381 2.206 10 0 CEAERO C[NH2+]C[C@H]1C[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000054588672 522097724 /nfs/dbraw/zinc/09/77/24/522097724.db2.gz HAIHAYGLEPMKPG-KOLCDFICSA-N 1 0 251.326 2.035 10 0 CEAERO C[NH2+]Cc1c(C)nc(Cc2nc(C)cs2)nc1C ZINC000055270055 522099854 /nfs/dbraw/zinc/09/98/54/522099854.db2.gz MVMGKMTXYITMEP-UHFFFAOYSA-N 1 0 262.382 2.169 10 0 CEAERO C[NH2+]Cc1c(C)nn(CCOCCC(C)C)c1C ZINC000049267823 522100792 /nfs/dbraw/zinc/10/07/92/522100792.db2.gz CGYUBISAWMXJQZ-UHFFFAOYSA-N 1 0 253.390 2.282 10 0 CEAERO C[NH2+]Cc1cccc(Cn2nnc(-c3ccccc3)n2)c1 ZINC000052574616 522126953 /nfs/dbraw/zinc/12/69/53/522126953.db2.gz SZKXRFQUZVSKPU-UHFFFAOYSA-N 1 0 279.347 2.108 10 0 CEAERO C[NH2+]Cc1cccc(Cn2cc(Br)cn2)c1 ZINC000052577419 522127308 /nfs/dbraw/zinc/12/73/08/522127308.db2.gz NUNSVOAYDCARFC-UHFFFAOYSA-N 1 0 280.169 2.413 10 0 CEAERO C[NH2+]Cc1cnc(C2(c3ccccc3)CCOCC2)nc1 ZINC000062784135 522145447 /nfs/dbraw/zinc/14/54/47/522145447.db2.gz VATMVHMNPMJAIX-UHFFFAOYSA-N 1 0 283.375 2.293 10 0 CEAERO C[NH2+]Cc1sc(N(C)Cc2cscn2)nc1C ZINC000054998555 522167849 /nfs/dbraw/zinc/16/78/49/522167849.db2.gz AIXNPBRJZCHKNZ-UHFFFAOYSA-N 1 0 268.411 2.264 10 0 CEAERO CC[C@H](C[NH2+]CC(C)C)Oc1ccc(S(C)(=O)=O)cc1 ZINC000052702028 522194783 /nfs/dbraw/zinc/19/47/83/522194783.db2.gz CSAUCLIHPDGPPZ-CYBMUJFWSA-N 1 0 299.436 2.493 10 0 CEAERO CN(C)c1ccc([C@H](O)[C@H]([NH3+])c2ccccc2)cc1 ZINC000054682921 522250505 /nfs/dbraw/zinc/25/05/05/522250505.db2.gz ANBLNQIKZPXWPE-CVEARBPZSA-N 1 0 256.349 2.486 10 0 CEAERO COC[C@@H](C)[NH2+]CCN(C)[C@@H](C)c1ccccc1F ZINC000062027715 522251294 /nfs/dbraw/zinc/25/12/94/522251294.db2.gz CPBWWJFNDCIGDK-OLZOCXBDSA-N 1 0 268.376 2.443 10 0 CEAERO CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000049093484 522298788 /nfs/dbraw/zinc/29/87/88/522298788.db2.gz CBENDXXPVHJBDA-YRGRVCCFSA-N 1 0 274.364 2.343 10 0 CEAERO CC[C@H]([NH3+])Cc1cnc(Cc2ccccc2OC)nc1 ZINC000054858021 522334639 /nfs/dbraw/zinc/33/46/39/522334639.db2.gz JNISBVHPYPIVME-AWEZNQCLSA-N 1 0 271.364 2.356 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N[C@H](C)CC2CC2)cc1 ZINC000070105155 522334576 /nfs/dbraw/zinc/33/45/76/522334576.db2.gz CESMLTZIBOHGGQ-NEPJUHHUSA-N 1 0 296.436 2.434 10 0 CEAERO CC[C@H]([NH3+])Cc1ccnc(-c2cccc(OC)c2)n1 ZINC000054834912 522335615 /nfs/dbraw/zinc/33/56/15/522335615.db2.gz GRNAOHAGULOHIA-LBPRGKRZSA-N 1 0 257.337 2.432 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C(C)C)C(C)(C)C ZINC000061595155 522339041 /nfs/dbraw/zinc/33/90/41/522339041.db2.gz SKEUXSFBNNULPA-VHSXEESVSA-N 1 0 286.445 2.396 10 0 CEAERO C[NH2+][C@@H](C)c1nnc(-c2cccc(OC)c2OC)o1 ZINC000050618388 522339056 /nfs/dbraw/zinc/33/90/56/522339056.db2.gz WQFGGEILAJRUEH-QMMMGPOBSA-N 1 0 263.297 2.034 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N1CC[C@H](O)C1 ZINC000061709781 522339616 /nfs/dbraw/zinc/33/96/16/522339616.db2.gz IFOFZDKEQZBBDM-MELADBBJSA-N 1 0 268.788 2.185 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1cnn(C)c1)n1nc(C)c(Cl)c1C ZINC000050585979 522342610 /nfs/dbraw/zinc/34/26/10/522342610.db2.gz HNNYGHXNEPLJDG-WCQYABFASA-N 1 0 281.791 2.214 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1nnc(C)o1)c1cccnc1 ZINC000051038048 522344857 /nfs/dbraw/zinc/34/48/57/522344857.db2.gz IADHBYCZMUDKTJ-WDEREUQCSA-N 1 0 264.354 2.344 10 0 CEAERO CC[C@H]([NH3+])[C@](O)(c1ccc(OC)c(OC)c1)C(F)(F)F ZINC000062784321 522346648 /nfs/dbraw/zinc/34/66/48/522346648.db2.gz SMNNJZKGHWYJOB-NWDGAFQWSA-N 1 0 293.285 2.191 10 0 CEAERO CC[C@H]([NH3+])c1ccc(OC[C@H](O)C(F)(F)F)cc1 ZINC000068875650 522346715 /nfs/dbraw/zinc/34/67/15/522346715.db2.gz HSNJOUFVVDKLRF-QWRGUYRKSA-N 1 0 263.259 2.398 10 0 CEAERO C[NH2+][C@@H](CCOc1ccc(C)cc1C(C)(C)C)C(N)=O ZINC000062547345 522349220 /nfs/dbraw/zinc/34/92/20/522349220.db2.gz VORNRPAYQKISHC-ZDUSSCGKSA-N 1 0 278.396 2.135 10 0 CEAERO COc1cc(C[NH3+])ccc1Oc1nccn(C(C)C)c1=O ZINC000061770658 522364535 /nfs/dbraw/zinc/36/45/35/522364535.db2.gz WJHALKJNFIJGME-UHFFFAOYSA-N 1 0 289.335 2.084 10 0 CEAERO C[NH2+][C@@H]1CC(C)(C)Cc2nc(N3CCCC3)ncc21 ZINC000050101136 522374516 /nfs/dbraw/zinc/37/45/16/522374516.db2.gz UNRYRYYXJACYPN-GFCCVEGCSA-N 1 0 260.385 2.310 10 0 CEAERO CCc1nc(N(C)CCOC)sc1C[NH2+]C1CC1 ZINC000055001776 522379046 /nfs/dbraw/zinc/37/90/46/522379046.db2.gz JNFDFVDKFJZJLL-UHFFFAOYSA-N 1 0 269.414 2.040 10 0 CEAERO C[NH2+][C@@H]1CCCc2nc(Cc3nc(C)cs3)ncc21 ZINC000055269743 522391104 /nfs/dbraw/zinc/39/11/04/522391104.db2.gz GCJFDIGIOWCVPL-LLVKDONJSA-N 1 0 274.393 2.429 10 0 CEAERO COC[C@@H](O)CN(C)c1ccccc1C[NH2+]C(C)(C)C ZINC000062737706 522399213 /nfs/dbraw/zinc/39/92/13/522399213.db2.gz IWUBEGPBDXLLEA-AWEZNQCLSA-N 1 0 280.412 2.018 10 0 CEAERO C[NH2+][C@@](C)(CCCSc1cccc(OC)c1)C(N)=O ZINC000045558255 522411802 /nfs/dbraw/zinc/41/18/02/522411802.db2.gz BQNIXOLGRIZAKP-AWEZNQCLSA-N 1 0 282.409 2.031 10 0 CEAERO C[NH2+][C@@](COc1ccccc1C(C)(C)C)(C(N)=O)C1CC1 ZINC000069196956 522430023 /nfs/dbraw/zinc/43/00/23/522430023.db2.gz AVGVWTVEIJNCBG-QGZVFWFLSA-N 1 0 290.407 2.216 10 0 CEAERO C[NH2+][C@H](C)c1ccc(F)cc1OCc1ncccn1 ZINC000062746311 522447070 /nfs/dbraw/zinc/44/70/70/522447070.db2.gz TZXSNKZFWLQLSQ-SNVBAGLBSA-N 1 0 261.300 2.475 10 0 CEAERO C[NH2+][C@H](C)c1cccc(NC(=O)NC[C@H]2CCOC2)c1 ZINC000061148549 522452252 /nfs/dbraw/zinc/45/22/52/522452252.db2.gz FSBBSWOGIBOPDG-VXGBXAGGSA-N 1 0 277.368 2.125 10 0 CEAERO C[NH2+][C@H](Cc1csc(C)n1)CC1CCOCC1 ZINC000055295217 522475267 /nfs/dbraw/zinc/47/52/67/522475267.db2.gz CPFREATZWVOOEE-LBPRGKRZSA-N 1 0 254.399 2.399 10 0 CEAERO C[NH2+][C@H](c1ccc(Br)s1)[C@H]1COCCO1 ZINC000055301045 522480288 /nfs/dbraw/zinc/48/02/88/522480288.db2.gz WOVVRBLFDOLCEF-XCBNKYQSSA-N 1 0 292.198 2.187 10 0 CEAERO C[NH2+][C@H](c1ccc2c(c1)CCC(=O)N2)[C@@H]1CCCCO1 ZINC000050961522 522482155 /nfs/dbraw/zinc/48/21/55/522482155.db2.gz VRWQWOAZMHIHCM-GOEBONIOSA-N 1 0 274.364 2.401 10 0 CEAERO C[NH2+][C@](C)(C[C@@H](C)[NH+]1CCC2(CCCC2)CC1)C(=O)[O-] ZINC000068645429 522520804 /nfs/dbraw/zinc/52/08/04/522520804.db2.gz FUJLRCUTULAVMV-UKRRQHHQSA-N 1 0 282.428 2.484 10 0 CEAERO CN[C@](C)(C[C@H](C)[N@@H+]1CCC[C@H](C(C)(C)C)CC1)C(N)=O ZINC000068648205 522522400 /nfs/dbraw/zinc/52/24/00/522522400.db2.gz PQVGRCANEKQHBI-GRDNDAEWSA-N 1 0 297.487 2.377 10 0 CEAERO C[NH2+][C@](C)(C[C@H](C)Oc1ccccc1C(C)C)C(N)=O ZINC000068657025 522525692 /nfs/dbraw/zinc/52/56/92/522525692.db2.gz TZQAOGZTKMXDLX-BLLLJJGKSA-N 1 0 278.396 2.431 10 0 CEAERO CC[C@@H](C[NH2+]C(C)C)Cc1nnnn1-c1ccccc1 ZINC000052973735 522543989 /nfs/dbraw/zinc/54/39/89/522543989.db2.gz ZHGCGGOPYGDFOK-CYBMUJFWSA-N 1 0 273.384 2.229 10 0 CEAERO CC[C@@H](C[NH2+]CC(C)C)Cc1nnnn1-c1ccccc1 ZINC000052974299 522546301 /nfs/dbraw/zinc/54/63/01/522546301.db2.gz AFRCOANSQUOJHC-CQSZACIVSA-N 1 0 287.411 2.477 10 0 CEAERO CNc1ccc(C)cc1C(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC000053003517 522604762 /nfs/dbraw/zinc/60/47/62/522604762.db2.gz GXNRYIRIYNZWDN-ZDUSSCGKSA-N 1 0 275.396 2.251 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc(C)nc(Cc2csc(C)n2)n1 ZINC000055296921 522643654 /nfs/dbraw/zinc/64/36/54/522643654.db2.gz AXVDADZILRXFBT-LLVKDONJSA-N 1 0 276.409 2.421 10 0 CEAERO CC[C@@H]([NH3+])Cc1noc(-c2ccc(Br)o2)n1 ZINC000054184592 522646981 /nfs/dbraw/zinc/64/69/81/522646981.db2.gz RYJZMKNMTYZVLV-ZCFIWIBFSA-N 1 0 286.129 2.372 10 0 CEAERO CC[C@@H]([NH3+])[C@](O)(c1ccc(OC)c(F)c1)C(F)(F)F ZINC000062784662 522655830 /nfs/dbraw/zinc/65/58/30/522655830.db2.gz HDZCWOABXGQJPY-GHMZBOCLSA-N 1 0 281.249 2.322 10 0 CEAERO CNc1ccnc(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000050721265 522668272 /nfs/dbraw/zinc/66/82/72/522668272.db2.gz DJCHJGFNCNAJQH-CYBMUJFWSA-N 1 0 290.411 2.118 10 0 CEAERO COC1CCN([C@@H](C[NH3+])c2ccc(F)cc2C)CC1 ZINC000050578495 522706695 /nfs/dbraw/zinc/70/66/95/522706695.db2.gz WQCWJHSVUFUUPH-HNNXBMFYSA-N 1 0 266.360 2.245 10 0 CEAERO COC[C@H](O)COc1c(C)cc(C[NH2+]C(C)C)cc1C ZINC000069053407 522806248 /nfs/dbraw/zinc/80/62/48/522806248.db2.gz OESXXOAXHMVYLM-HNNXBMFYSA-N 1 0 281.396 2.188 10 0 CEAERO CN(CC[NH2+]C1CCOCC1)C1CCCCCC1 ZINC000062767714 522863208 /nfs/dbraw/zinc/86/32/08/522863208.db2.gz RPUORPDMYWCXKE-UHFFFAOYSA-N 1 0 254.418 2.410 10 0 CEAERO CCc1noc(C)c1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000155656550 522864285 /nfs/dbraw/zinc/86/42/85/522864285.db2.gz IIPWAMIAKIMEFL-GFCCVEGCSA-N 1 0 292.383 2.247 10 0 CEAERO COc1cc(OC)cc(O[C@@H]([C@@H](C)[NH3+])C(F)(F)F)c1 ZINC000068806434 522873807 /nfs/dbraw/zinc/87/38/07/522873807.db2.gz PSXYSGMNHJUJQP-HQJQHLMTSA-N 1 0 279.258 2.361 10 0 CEAERO CC[C@H](Oc1ccc(OC)cc1C[NH2+]C(C)(C)C)C(N)=O ZINC000062727572 522873893 /nfs/dbraw/zinc/87/38/93/522873893.db2.gz YHMYHOWDUFOEGV-ZDUSSCGKSA-N 1 0 294.395 2.226 10 0 CEAERO COc1cc(OC)cc(O[C@H]([C@H](C)[NH3+])C(F)(F)F)c1 ZINC000068806439 522875438 /nfs/dbraw/zinc/87/54/38/522875438.db2.gz PSXYSGMNHJUJQP-WRWORJQWSA-N 1 0 279.258 2.361 10 0 CEAERO CC[C@@H]([NH2+][C@H](C)C(=O)N1CCOCC1)c1cccs1 ZINC000049530656 522930260 /nfs/dbraw/zinc/93/02/60/522930260.db2.gz GMAPFUYKQFIUHK-VXGBXAGGSA-N 1 0 282.409 2.036 10 0 CEAERO COCc1cccc(NC(=O)[C@H]2CCC[C@@H](C)[NH2+]2)c1 ZINC000049511981 523073844 /nfs/dbraw/zinc/07/38/44/523073844.db2.gz YRZMFUIYVXXCTR-BXUZGUMPSA-N 1 0 262.353 2.302 10 0 CEAERO CCn1c(S[C@H](c2cccc(C)c2)[C@H](C)[NH3+])n[nH]c1=O ZINC000061594235 523246592 /nfs/dbraw/zinc/24/65/92/523246592.db2.gz APPUSFAOCABXJP-JQWIXIFHSA-N 1 0 292.408 2.080 10 0 CEAERO COCCCN(CCOC)c1ccc(C(N)=[NH2+])cc1Cl ZINC000062794210 523260705 /nfs/dbraw/zinc/26/07/05/523260705.db2.gz GKVKNHBXMNHZBH-UHFFFAOYSA-N 1 0 299.802 2.113 10 0 CEAERO CC[C@H]1CN(c2ccc(F)cc2C[NH2+]CCOC)CCO1 ZINC000062735906 523304594 /nfs/dbraw/zinc/30/45/94/523304594.db2.gz JDDABLDJBLWQTL-HNNXBMFYSA-N 1 0 296.386 2.177 10 0 CEAERO CN(Cc1cccc(F)c1)Cc1ccc[nH+]c1NN ZINC000052724680 523310261 /nfs/dbraw/zinc/31/02/61/523310261.db2.gz SCOMBPJUPKZSSI-UHFFFAOYSA-N 1 0 260.316 2.138 10 0 CEAERO COC(=O)C[C@H](C)C[C@@H]([NH3+])c1ccc(OC)c(OC)c1 ZINC000061829530 523323698 /nfs/dbraw/zinc/32/36/98/523323698.db2.gz GWHVALLYBLYYPI-ZYHUDNBSSA-N 1 0 281.352 2.293 10 0 CEAERO CC[C@H]1COCCN1c1nc(C2CC2)c(C[NH3+])s1 ZINC000069179959 523338771 /nfs/dbraw/zinc/33/87/71/523338771.db2.gz LJXNLKRSGAKLMH-JTQLQIEISA-N 1 0 267.398 2.094 10 0 CEAERO CCn1cc(CN(CCC[NH3+])c2cccc(OC)c2)cn1 ZINC000050539161 523365722 /nfs/dbraw/zinc/36/57/22/523365722.db2.gz MAXLQKCSIWYMSO-UHFFFAOYSA-N 1 0 288.395 2.267 10 0 CEAERO CCn1cc(COc2c(C[C@H](C)[NH3+])cccc2OC)cn1 ZINC000050543435 523389517 /nfs/dbraw/zinc/38/95/17/523389517.db2.gz UUUUGFMGSSOTFE-LBPRGKRZSA-N 1 0 289.379 2.380 10 0 CEAERO CCn1cc(C[C@@](C)([NH3+])c2ccccc2OC)cn1 ZINC000050541709 523395800 /nfs/dbraw/zinc/39/58/00/523395800.db2.gz ULVNWKSXCTWGNZ-OAHLLOKOSA-N 1 0 259.353 2.328 10 0 CEAERO CN(Cc1cccnc1)[C@H](C[NH3+])CCc1ccccc1 ZINC000061624641 523418961 /nfs/dbraw/zinc/41/89/61/523418961.db2.gz CPHZGCVRIWLCHW-KRWDZBQOSA-N 1 0 269.392 2.474 10 0 CEAERO CC[C@@H]1CN([C@@H](CC(N)=[NH2+])c2ccccc2)CCO1 ZINC000055022831 523467728 /nfs/dbraw/zinc/46/77/28/523467728.db2.gz IQEKNGHJAZEBKJ-KGLIPLIRSA-N 1 0 261.369 2.165 10 0 CEAERO CC[C@@H]1COCC[N@@H+]1[C@@H]1C[C@H](C(C)C)CC[C@@H]1O ZINC000054558297 523501295 /nfs/dbraw/zinc/50/12/95/523501295.db2.gz GZXDLOMKLLUYAU-TUVASFSCSA-N 1 0 255.402 2.283 10 0 CEAERO CC[C@@H]1COCCN1c1cc(Cl)ccc1C[NH3+] ZINC000062786855 523501935 /nfs/dbraw/zinc/50/19/35/523501935.db2.gz MYDLPCKPJXDGLV-GFCCVEGCSA-N 1 0 254.761 2.414 10 0 CEAERO CC[C@@H]1COCCN1c1nc(C)c([C@@H](C)[NH3+])s1 ZINC000054895993 523503790 /nfs/dbraw/zinc/50/37/90/523503790.db2.gz VECFNQHYUJTWOC-PSASIEDQSA-N 1 0 255.387 2.086 10 0 CEAERO CC[C@@H]1CO[C@@H](C)CN1c1nc(C2CC2)c(C[NH3+])s1 ZINC000069181391 523510282 /nfs/dbraw/zinc/51/02/82/523510282.db2.gz HGNVDLLRTKUSQI-GXSJLCMTSA-N 1 0 281.425 2.483 10 0 CEAERO CO[C@@H](c1nc([C@@H]([NH3+])C2CC2)no1)c1ccccc1 ZINC000050438349 523548141 /nfs/dbraw/zinc/54/81/41/523548141.db2.gz SEHFAANPEJFGOX-NWDGAFQWSA-N 1 0 259.309 2.215 10 0 CEAERO CCn1ccnc1[C@@H](Cc1cccc(OC)c1)[NH2+]C ZINC000069497921 523554611 /nfs/dbraw/zinc/55/46/11/523554611.db2.gz XBBNHPHMVWEFIG-CQSZACIVSA-N 1 0 259.353 2.415 10 0 CEAERO COc1ccc(C(=O)N(CCC[NH3+])C(C)C)cc1F ZINC000061668526 523612463 /nfs/dbraw/zinc/61/24/63/523612463.db2.gz YVHGKKOEHGUXON-UHFFFAOYSA-N 1 0 268.332 2.034 10 0 CEAERO CC[C@]1(c2nc(-c3ccc(O)c(OC)c3)no2)CC[NH2+]C1 ZINC000062915701 523630367 /nfs/dbraw/zinc/63/03/67/523630367.db2.gz RSVSTHLEMUIFLX-HNNXBMFYSA-N 1 0 289.335 2.092 10 0 CEAERO COCCN(CC(C)C)c1ncc([C@@H](C)[NH3+])s1 ZINC000054896793 523680746 /nfs/dbraw/zinc/68/07/46/523680746.db2.gz CMUJKLMUSWKSFK-SNVBAGLBSA-N 1 0 257.403 2.272 10 0 CEAERO CN(c1nc(C(C)(C)C)c(CO)s1)[C@@H]1CCC[N@H+](C)C1 ZINC000055003689 523660449 /nfs/dbraw/zinc/66/04/49/523660449.db2.gz NKRUPPQNFHMCOR-LLVKDONJSA-N 1 0 297.468 2.463 10 0 CEAERO CC[C@@]1(C(=O)N2CCn3c(C)ccc3[C@@H]2C)CCC[NH2+]C1 ZINC000062856385 523691828 /nfs/dbraw/zinc/69/18/28/523691828.db2.gz AEOUKMWVNOUSKY-WMLDXEAASA-N 1 0 289.423 2.480 10 0 CEAERO CC[C@@]1(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC[NH2+]C1 ZINC000062893316 523697954 /nfs/dbraw/zinc/69/79/54/523697954.db2.gz ZQFUBFCCWABFDX-MRXNPFEDSA-N 1 0 284.363 2.405 10 0 CEAERO C[NH+]1CCC(CNc2ccc(-c3nnco3)cc2)CC1 ZINC000054240385 523765266 /nfs/dbraw/zinc/76/52/66/523765266.db2.gz NNGFGUJRAPHVHF-UHFFFAOYSA-N 1 0 272.352 2.490 10 0 CEAERO COCCN([C@@H](C[NH3+])c1cc(F)c(F)c(F)c1)C1CC1 ZINC000062710898 523780498 /nfs/dbraw/zinc/78/04/98/523780498.db2.gz FOSJOGJFGRPEFL-ZDUSSCGKSA-N 1 0 288.313 2.215 10 0 CEAERO CCc1cc(N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)ncn1 ZINC000063190580 523792685 /nfs/dbraw/zinc/79/26/85/523792685.db2.gz QLIJEQKYLKYSDC-UONOGXRCSA-N 1 0 260.385 2.150 10 0 CEAERO C[N@@H+]1CCCN(Cc2ccc(Cl)cc2N)CC1 ZINC000050442874 523810133 /nfs/dbraw/zinc/81/01/33/523810133.db2.gz OGEOQJNMYGLZBN-UHFFFAOYSA-N 1 0 253.777 2.060 10 0 CEAERO COC(=O)[C@@](C)(N)C[C@@H](C)[NH+]1CCC(C(C)(C)C)CC1 ZINC000068641445 523818620 /nfs/dbraw/zinc/81/86/20/523818620.db2.gz DSDRRBBCAILKDN-WBMJQRKESA-N 1 0 284.444 2.414 10 0 CEAERO COc1ccc(C2(O)CC[NH+](C(C)C)CC2)c(OC)c1 ZINC000055232483 523869990 /nfs/dbraw/zinc/86/99/90/523869990.db2.gz GWTMBDPFICFUER-UHFFFAOYSA-N 1 0 279.380 2.396 10 0 CEAERO CCc1ccc(C(=O)N2C[C@@H](C[NH3+])CC[C@@H]2C)cc1 ZINC000070179737 523888823 /nfs/dbraw/zinc/88/88/23/523888823.db2.gz YWIPLHFTTUXMPF-GXTWGEPZSA-N 1 0 260.381 2.448 10 0 CEAERO CC[C@H](C)C[C@@H](C[NH2+]C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000052951409 523899064 /nfs/dbraw/zinc/89/90/64/523899064.db2.gz CTFCXDGGYZNJJN-MJBXVCDLSA-N 1 0 275.458 2.472 10 0 CEAERO COCC[NH2+]CCCN1c2cccc3cccc(c23)C1=O ZINC000062367461 523935695 /nfs/dbraw/zinc/93/56/95/523935695.db2.gz PXQSSKIAMZOSEZ-UHFFFAOYSA-N 1 0 284.359 2.426 10 0 CEAERO CC[C@H](C)[N@H+](CCOC)Cc1ccc(NC)nc1 ZINC000050817004 523938510 /nfs/dbraw/zinc/93/85/10/523938510.db2.gz SHVZHNMBXOJETO-LBPRGKRZSA-N 1 0 251.374 2.370 10 0 CEAERO COCC[NH2+]C[C@@H]1C[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000054598773 523941286 /nfs/dbraw/zinc/94/12/86/523941286.db2.gz BXZLQYLBNVZDHZ-UONOGXRCSA-N 1 0 277.364 2.187 10 0 CEAERO COCC[NH2+]C[C@@H]1C[C@]1(C)c1cc(OC)ccc1OC ZINC000054599303 523941460 /nfs/dbraw/zinc/94/14/60/523941460.db2.gz HRRUAZJTXZTDRL-LRDDRELGSA-N 1 0 279.380 2.217 10 0 CEAERO COCC[NH2+]C[C@H](C)n1cc(-c2ccccc2)cn1 ZINC000054962387 523942936 /nfs/dbraw/zinc/94/29/36/523942936.db2.gz RXAUZQQLJCSPLD-ZDUSSCGKSA-N 1 0 259.353 2.347 10 0 CEAERO COCC[NH2+]Cc1c(C)nc(C2CCCC2)nc1C ZINC000054854555 523946291 /nfs/dbraw/zinc/94/62/91/523946291.db2.gz RMXSNPNLSAULQE-UHFFFAOYSA-N 1 0 263.385 2.487 10 0 CEAERO COCC[NH2+]Cc1cc(F)ccc1-n1ccc(C)n1 ZINC000062738928 523950156 /nfs/dbraw/zinc/95/01/56/523950156.db2.gz SMTHAMPDKZNANV-UHFFFAOYSA-N 1 0 263.316 2.056 10 0 CEAERO COCC[NH2+]Cc1cc(F)ccc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000062734272 523950299 /nfs/dbraw/zinc/95/02/99/523950299.db2.gz BTSXYVSPARJJRF-BETUJISGSA-N 1 0 296.386 2.175 10 0 CEAERO CC[C@H](C)[NH+]1CCN(C(=O)c2cccc(C)c2N)CC1 ZINC000055063445 523951124 /nfs/dbraw/zinc/95/11/24/523951124.db2.gz VNPSMJUKPUJSOX-ZDUSSCGKSA-N 1 0 275.396 2.134 10 0 CEAERO COCC[NH2+]Cc1cc2ccccc2nc1N(C)C ZINC000062734885 523951646 /nfs/dbraw/zinc/95/16/46/523951646.db2.gz GWVBLPQYGFDAIS-UHFFFAOYSA-N 1 0 259.353 2.037 10 0 CEAERO COCC[NH2+]Cc1ccc(OC)cc1OCC(C)C ZINC000062733274 523952110 /nfs/dbraw/zinc/95/21/10/523952110.db2.gz VAXRJKHVFZZHDR-UHFFFAOYSA-N 1 0 267.369 2.466 10 0 CEAERO COCC[NH2+]Cc1cc2c(cc1OCC=C(C)C)OCO2 ZINC000062734000 523952132 /nfs/dbraw/zinc/95/21/32/523952132.db2.gz DCTZAOWTJYGJFF-UHFFFAOYSA-N 1 0 293.363 2.496 10 0 CEAERO CC[C@H](C)[NH+]1CCN(CCc2ccccc2N)CC1 ZINC000055063573 523954047 /nfs/dbraw/zinc/95/40/47/523954047.db2.gz ORSLAAGVOVUMCZ-AWEZNQCLSA-N 1 0 261.413 2.227 10 0 CEAERO COCC[NH2+]Cc1ccnc(-c2ccc(C)cc2)n1 ZINC000054792568 523956118 /nfs/dbraw/zinc/95/61/18/523956118.db2.gz IVXINQYXWXMUDB-UHFFFAOYSA-N 1 0 257.337 2.188 10 0 CEAERO COCC[NH2+]Cc1nc(-c2ccc(OC)cc2)c(C)[nH]1 ZINC000069236711 523956482 /nfs/dbraw/zinc/95/64/82/523956482.db2.gz MDRHWLLSIQSXBQ-UHFFFAOYSA-N 1 0 275.352 2.130 10 0 CEAERO CO[C@H]1CCC[C@H](OCC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000070323806 523983853 /nfs/dbraw/zinc/98/38/53/523983853.db2.gz FWWFHBHPDZSOQL-GJZGRUSLSA-N 1 0 292.379 2.058 10 0 CEAERO CO[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccccc1Cl ZINC000050373531 523987343 /nfs/dbraw/zinc/98/73/43/523987343.db2.gz DIKPNLQWNZOUPZ-OLZOCXBDSA-N 1 0 282.771 2.436 10 0 CEAERO CCc1ccc(NC(=O)c2cc[nH+]c(NN)c2)cc1 ZINC000051096718 523992463 /nfs/dbraw/zinc/99/24/63/523992463.db2.gz CPKZTSIRYWYVLM-UHFFFAOYSA-N 1 0 256.309 2.182 10 0 CEAERO COC(=O)[C@](C)(C[N@@H+]1CCC[C@H](C)[C@H]1C)NC(C)C ZINC000050567245 523999311 /nfs/dbraw/zinc/99/93/11/523999311.db2.gz MVYQVJPIWDAMQI-GUTXKFCHSA-N 1 0 270.417 2.037 10 0 CEAERO COC(=O)[C@](C)(N)CC[NH+]1CCC(C(C)(C)C)CC1 ZINC000050348308 524001507 /nfs/dbraw/zinc/00/15/07/524001507.db2.gz BUCAWNLZGSDQPO-OAHLLOKOSA-N 1 0 270.417 2.025 10 0 CEAERO COC(=O)[C@](C[N@H+](C)CC(C)(C)C)(NC1CC1)C1CC1 ZINC000069132494 524003355 /nfs/dbraw/zinc/00/33/55/524003355.db2.gz GBXDOZQIDJDTKF-MRXNPFEDSA-N 1 0 282.428 2.038 10 0 CEAERO COCCO[C@@H](C[NH2+]C1CC1)c1ccccc1OC ZINC000050496051 524029262 /nfs/dbraw/zinc/02/92/62/524029262.db2.gz AJXOMKDONUYQIJ-HNNXBMFYSA-N 1 0 265.353 2.151 10 0 CEAERO COc1cccc([C@H](O)[C@H]([NH3+])CC(C)C)c1OC ZINC000054929262 524167541 /nfs/dbraw/zinc/16/75/41/524167541.db2.gz YVDQMKUUZTZBNF-YPMHNXCESA-N 1 0 253.342 2.111 10 0 CEAERO COc1ccc(Cl)cc1C(=O)N1[C@@H](C)C[NH2+]C[C@@H]1C ZINC000069132684 524196138 /nfs/dbraw/zinc/19/61/38/524196138.db2.gz XXOQBYAWBJAWCA-UWVGGRQHSA-N 1 0 282.771 2.171 10 0 CEAERO C[C@@H]1CCCN(C(=O)[C@H]([NH3+])Cc2ccccc2)[C@@H]1C ZINC000050565451 524205057 /nfs/dbraw/zinc/20/50/57/524205057.db2.gz BLALIFGSJMYBBN-UMVBOHGHSA-N 1 0 260.381 2.203 10 0 CEAERO C[C@H]1CCC[C@H](SCC[NH2+][C@@H]2CCS(=O)(=O)C2)C1 ZINC000054696728 524210774 /nfs/dbraw/zinc/21/07/74/524210774.db2.gz JHDJPYSZSNSNJK-XQQFMLRXSA-N 1 0 291.482 2.075 10 0 CEAERO C[C@H](C[N@H+](C)Cc1ccc(F)cc1F)C(N)=S ZINC000050884870 524296476 /nfs/dbraw/zinc/29/64/76/524296476.db2.gz UYCPFOUCLJXEPH-MRVPVSSYSA-N 1 0 258.337 2.319 10 0 CEAERO COc1ccccc1-n1ncc(C[NH2+]C(C)(C)C)n1 ZINC000062606241 524307267 /nfs/dbraw/zinc/30/72/67/524307267.db2.gz NDWPIGBTZPNZSO-UHFFFAOYSA-N 1 0 260.341 2.164 10 0 CEAERO C[C@H](C[NH3+])c1nc2cc(Br)ccc2n1C ZINC000054334306 524312387 /nfs/dbraw/zinc/31/23/87/524312387.db2.gz IGWHNNADPDNCNI-SSDOTTSWSA-N 1 0 268.158 2.398 10 0 CEAERO C[C@H](C[NH+]1CCCC1)Nc1ccc(C(N)=S)cc1F ZINC000049186050 524319121 /nfs/dbraw/zinc/31/91/21/524319121.db2.gz KVMKJNRVPNGMIG-SNVBAGLBSA-N 1 0 281.400 2.356 10 0 CEAERO C[C@H](C[NH+]1CCCCC1)Nc1cc(Cl)ncn1 ZINC000049503128 524333516 /nfs/dbraw/zinc/33/35/16/524333516.db2.gz MOCGMTSOFZCZTP-SNVBAGLBSA-N 1 0 254.765 2.416 10 0 CEAERO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCCS(=O)(=O)C2)c(C)n1 ZINC000069140764 524335099 /nfs/dbraw/zinc/33/50/99/524335099.db2.gz BWTXHTKPAVSBOG-KBPBESRZSA-N 1 0 296.436 2.235 10 0 CEAERO C[C@H]1CC[C@@H](C[NH3+])CN1C(=O)CSC(C)(C)C ZINC000070180199 524347905 /nfs/dbraw/zinc/34/79/05/524347905.db2.gz ZSKDWJJNUUBQCN-QWRGUYRKSA-N 1 0 258.431 2.104 10 0 CEAERO Cc1cc(C)cc(-n2nnnc2C[NH2+]C(C)(C)C)c1 ZINC000054744604 524358420 /nfs/dbraw/zinc/35/84/20/524358420.db2.gz YTQSGBJFSLLYQK-UHFFFAOYSA-N 1 0 259.357 2.167 10 0 CEAERO COc1ccc(NC(=O)C2CCC([NH3+])CC2)cc1C ZINC000049531995 524471700 /nfs/dbraw/zinc/47/17/00/524471700.db2.gz YAILEQWQLNTQCK-UHFFFAOYSA-N 1 0 262.353 2.460 10 0 CEAERO C[C@@H](CC[NH+](C)C)NCc1nnc(-c2ccccc2)o1 ZINC000050601904 524477756 /nfs/dbraw/zinc/47/77/56/524477756.db2.gz DRTPUNQMRGFPSV-LBPRGKRZSA-N 1 0 274.368 2.166 10 0 CEAERO C[C@@H](CC[NH+](C)C)N[C@@H](c1ccco1)c1nccn1C ZINC000049554132 524478713 /nfs/dbraw/zinc/47/87/13/524478713.db2.gz BZHSQFQADJEEBM-JSGCOSHPSA-N 1 0 276.384 2.032 10 0 CEAERO COc1ccc(NC(=O)C[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000061568217 524521117 /nfs/dbraw/zinc/52/11/17/524521117.db2.gz DAJRBMBONNPRHF-GFCCVEGCSA-N 1 0 262.353 2.332 10 0 CEAERO COc1ccccc1N(C)Cc1ccc[nH+]c1NN ZINC000052720085 524525271 /nfs/dbraw/zinc/52/52/71/524525271.db2.gz IUBZSZPTLHZVFL-UHFFFAOYSA-N 1 0 258.325 2.012 10 0 CEAERO Cc1cccc(N2CCN([C@H](C[NH3+])c3ccoc3)CC2)c1 ZINC000063047632 524559839 /nfs/dbraw/zinc/55/98/39/524559839.db2.gz OSNBDFHZBOEFMT-QGZVFWFLSA-N 1 0 285.391 2.410 10 0 CEAERO C[C@@H](C[N@H+](C)Cc1ccc(F)cc1F)C(N)=S ZINC000050884869 524573191 /nfs/dbraw/zinc/57/31/91/524573191.db2.gz UYCPFOUCLJXEPH-QMMMGPOBSA-N 1 0 258.337 2.319 10 0 CEAERO COc1ccc(NC(=O)[C@H]([NH3+])CC(C)C)cc1C ZINC000049531981 524609262 /nfs/dbraw/zinc/60/92/62/524609262.db2.gz CEXBVUUGHOGPPR-GFCCVEGCSA-N 1 0 250.342 2.316 10 0 CEAERO C[C@H]1CN(c2ccc(N3CCCC3)cc2)CC[C@@H]1[NH3+] ZINC000062996494 524669383 /nfs/dbraw/zinc/66/93/83/524669383.db2.gz LBMKBPZBKWTQFF-BBRMVZONSA-N 1 0 259.397 2.460 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C)N1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000069133306 524696565 /nfs/dbraw/zinc/69/65/65/524696565.db2.gz CYXBAOMAJDNNPC-HOGDBLQHSA-N 1 0 276.424 2.412 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C)N1C(=O)c1ccc(Br)cc1 ZINC000069133303 524697941 /nfs/dbraw/zinc/69/79/41/524697941.db2.gz ZLBSSZKYNCFGEF-UWVGGRQHSA-N 1 0 297.196 2.272 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C)N1CCOc1cccc(Cl)c1 ZINC000069134794 524699546 /nfs/dbraw/zinc/69/95/46/524699546.db2.gz NHAPOJIRKHRWEU-RYUDHWBXSA-N 1 0 268.788 2.401 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C)N1Cc1ccc(-n2cccn2)cc1 ZINC000069134770 524700300 /nfs/dbraw/zinc/70/03/00/524700300.db2.gz BYRRKCOXLBMMDY-KBPBESRZSA-N 1 0 270.380 2.055 10 0 CEAERO C[C@@H]1CCc2ccccc2N1C(=O)c1ccc(NN)[nH+]c1 ZINC000051088884 524727333 /nfs/dbraw/zinc/72/73/33/524727333.db2.gz UNVBAPKHJDWQPD-LLVKDONJSA-N 1 0 282.347 2.349 10 0 CEAERO Cc1cc(C[NH2+]C[C@@H](C(C)C)N(C)C)c(C)n1C ZINC000052789739 524755590 /nfs/dbraw/zinc/75/55/90/524755590.db2.gz LCJAQGZSEOQJOI-HNNXBMFYSA-N 1 0 251.418 2.318 10 0 CEAERO C[C@H](Cc1ccsc1)[NH2+][C@H](C)C(=O)N1CCCC1 ZINC000049182685 524763950 /nfs/dbraw/zinc/76/39/50/524763950.db2.gz XSVRNRXEQBGWBO-VXGBXAGGSA-N 1 0 266.410 2.280 10 0 CEAERO Cc1cc(C[C@@H](C)[NH3+])cc(C)c1OCCCS(C)(=O)=O ZINC000063017529 524820423 /nfs/dbraw/zinc/82/04/23/524820423.db2.gz VOVJZZZNNPZYJD-CYBMUJFWSA-N 1 0 299.436 2.007 10 0 CEAERO C[C@H]([NH3+])[C@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000062784219 524862980 /nfs/dbraw/zinc/86/29/80/524862980.db2.gz YGGPJGGAUWTXNM-RCOVLWMOSA-N 1 0 253.651 2.437 10 0 CEAERO Cc1ccc(F)cc1C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000062666748 524844906 /nfs/dbraw/zinc/84/49/06/524844906.db2.gz GDSRPYFYRMVPPA-CHWSQXEVSA-N 1 0 250.317 2.134 10 0 CEAERO Cc1ccc(F)cc1C(=O)N[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000062665063 524846757 /nfs/dbraw/zinc/84/67/57/524846757.db2.gz WENFZAXIEPPYSK-RISCZKNCSA-N 1 0 264.344 2.395 10 0 CEAERO C[C@H]1C[C@H]([NH3+])CC[C@@H]1C(=O)NCC1CCCCC1 ZINC000055127204 524903257 /nfs/dbraw/zinc/90/32/57/524903257.db2.gz RAERFQJYWAPIRA-YUTCNCBUSA-N 1 0 252.402 2.446 10 0 CEAERO COc1ccc(OC)c([C@H](O)[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000054685609 524908054 /nfs/dbraw/zinc/90/80/54/524908054.db2.gz ZNJFUJZJYUTBEP-RDJZCZTQSA-N 1 0 287.359 2.307 10 0 CEAERO C[C@H](NC(=O)CC[C@@H]1CCCC[NH2+]1)c1ccncc1 ZINC000050942074 524935986 /nfs/dbraw/zinc/93/59/86/524935986.db2.gz SCBCPGXLLLNNGT-JSGCOSHPSA-N 1 0 261.369 2.181 10 0 CEAERO COc1ccc(OCCN2CCC[NH2+][C@H](C(C)C)C2)cc1 ZINC000062707720 524952995 /nfs/dbraw/zinc/95/29/95/524952995.db2.gz ICFGLAGSQQSWQU-KRWDZBQOSA-N 1 0 292.423 2.394 10 0 CEAERO C[C@H](NC(=O)C[C@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC000054291655 524985167 /nfs/dbraw/zinc/98/51/67/524985167.db2.gz BPYQNGMETWXYFZ-NWDGAFQWSA-N 1 0 264.344 2.393 10 0 CEAERO COc1ccc(O[C@H](C)C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000053567283 524988186 /nfs/dbraw/zinc/98/81/86/524988186.db2.gz ZAWHCHWVOJLGGT-DOMZBBRYSA-N 1 0 265.353 2.231 10 0 CEAERO Cc1cc(F)ccc1[C@H](C[NH3+])N1CCOC(C)(C)C1 ZINC000050578633 525008221 /nfs/dbraw/zinc/00/82/21/525008221.db2.gz GHTHVYMLPYFKHV-AWEZNQCLSA-N 1 0 266.360 2.245 10 0 CEAERO C[C@@H]([NH3+])c1ccc(NC(=O)N2CCC[C@H]2CCCO)cc1 ZINC000052783142 525028339 /nfs/dbraw/zinc/02/83/39/525028339.db2.gz QTSFFQXDEPRVAN-DOMZBBRYSA-N 1 0 291.395 2.475 10 0 CEAERO Cc1cc(N)cnc1N[C@@H](CC(C)C)C[NH+](C)C ZINC000052813190 525040471 /nfs/dbraw/zinc/04/04/71/525040471.db2.gz HFEMYMYRBDPGLR-ZDUSSCGKSA-N 1 0 250.390 2.360 10 0 CEAERO C[C@H]1Oc2ccccc2N(CCC[C@H]2CCC[NH2+]2)C1=O ZINC000052764850 525067308 /nfs/dbraw/zinc/06/73/08/525067308.db2.gz WBSJALCPTMQZNU-CHWSQXEVSA-N 1 0 274.364 2.333 10 0 CEAERO C[C@@H]1CN(c2nc(C3CC3)c(C[NH3+])s2)C[C@@H](C)O1 ZINC000069146668 525071466 /nfs/dbraw/zinc/07/14/66/525071466.db2.gz FKBJYFHEHMIAHC-RKDXNWHRSA-N 1 0 267.398 2.093 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C)N1C(=O)Nc1ccc(F)cc1 ZINC000069133504 525095736 /nfs/dbraw/zinc/09/57/36/525095736.db2.gz ACRCYZZCXHCIQT-NXEZZACHSA-N 1 0 251.305 2.040 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C)N1C(=O)CCCc1cccs1 ZINC000069133043 525096061 /nfs/dbraw/zinc/09/60/61/525096061.db2.gz LHALWQDNDSMSEB-VXGBXAGGSA-N 1 0 266.410 2.280 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C)N1C(=O)c1cccc2cccnc21 ZINC000069133468 525097766 /nfs/dbraw/zinc/09/77/66/525097766.db2.gz FEKAETHQYHERHX-VXGBXAGGSA-N 1 0 269.348 2.057 10 0 CEAERO Cc1ccccc1CC(=O)N[C@H]1CCCCC[C@H]1[NH3+] ZINC000063211352 525098408 /nfs/dbraw/zinc/09/84/08/525098408.db2.gz ZPKILDXWAMBIMW-CABCVRRESA-N 1 0 260.381 2.314 10 0 CEAERO CS(=O)(=O)CCC[C@H]1CCCc2ccccc2[C@@H]1[NH3+] ZINC000063015844 525119837 /nfs/dbraw/zinc/11/98/37/525119837.db2.gz CATBJJAQZCJBIG-UKRRQHHQSA-N 1 0 281.421 2.464 10 0 CEAERO CS(=O)(=O)CCC[C@@H]1CCc2ccccc2[C@H]1[NH3+] ZINC000063015829 525120956 /nfs/dbraw/zinc/12/09/56/525120956.db2.gz WAXYWQWJTZWTMQ-OCCSQVGLSA-N 1 0 267.394 2.074 10 0 CEAERO CS(=O)(=O)C[C@H]([NH3+])c1ccc2c(c1)Cc1ccccc1-2 ZINC000054930117 525137461 /nfs/dbraw/zinc/13/74/61/525137461.db2.gz ZPKRYMORGNDOKD-INIZCTEOSA-N 1 0 287.384 2.302 10 0 CEAERO C[C@]([NH3+])(CCCOc1ccc2ccccc2c1)C(N)=O ZINC000045519442 525147810 /nfs/dbraw/zinc/14/78/10/525147810.db2.gz VYMWRHWJPGAMCD-INIZCTEOSA-N 1 0 272.348 2.202 10 0 CEAERO C[C@]([NH3+])(c1nnc2n1CCCCC2)c1ccccc1 ZINC000052879288 525149246 /nfs/dbraw/zinc/14/92/46/525149246.db2.gz URFJTNUDCRQVRI-OAHLLOKOSA-N 1 0 256.353 2.227 10 0 CEAERO COc1ccc([C@@H]([NH3+])Cc2cccnc2)cc1OC ZINC000055228884 525190676 /nfs/dbraw/zinc/19/06/76/525190676.db2.gz WYHOJDMYEPPRFP-ZDUSSCGKSA-N 1 0 258.321 2.341 10 0 CEAERO C[C@@H]1C[C@@H](C)CN(C(=O)C2CCC(C[NH3+])CC2)C1 ZINC000055145826 525203382 /nfs/dbraw/zinc/20/33/82/525203382.db2.gz SKZBRROWNUKNBY-IWMBGFJWSA-N 1 0 252.402 2.256 10 0 CEAERO Cc1ccc(NC(=O)[C@H](C)C2C[NH2+]C2)c(Cl)c1 ZINC000163867268 525209162 /nfs/dbraw/zinc/20/91/62/525209162.db2.gz JKPQFMYDIKVHPF-SECBINFHSA-N 1 0 252.745 2.442 10 0 CEAERO COc1ccc([C@@H](O)[C@@H]2CCC[NH2+]2)c(Cl)c1OC ZINC000070319739 525209189 /nfs/dbraw/zinc/20/91/89/525209189.db2.gz RXSBBXIXYXRVIG-JOYOIKCWSA-N 1 0 271.744 2.143 10 0 CEAERO C[C@@H](NC(=O)[C@H](C)C1C[NH2+]C1)c1cc2ccccc2o1 ZINC000164034982 525279061 /nfs/dbraw/zinc/27/90/61/525279061.db2.gz YLDRKYCNFLXORM-GHMZBOCLSA-N 1 0 272.348 2.466 10 0 CEAERO Cc1ccccc1OCCCNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000155474018 525291850 /nfs/dbraw/zinc/29/18/50/525291850.db2.gz WWTRQCFCXKXYMN-KGLIPLIRSA-N 1 0 276.380 2.008 10 0 CEAERO Cc1ccc(NS(=O)(=O)C[C@@H]2CCCC[NH2+]2)cc1F ZINC000049630863 525292951 /nfs/dbraw/zinc/29/29/51/525292951.db2.gz JGZORTLZSMKJKA-LBPRGKRZSA-N 1 0 286.372 2.018 10 0 CEAERO COc1ccc([C@H](C)[NH3+])cc1COC[C@@H]1CCOC1 ZINC000049689232 525302019 /nfs/dbraw/zinc/30/20/19/525302019.db2.gz JTMRQPOWNNEJLN-NWDGAFQWSA-N 1 0 265.353 2.268 10 0 CEAERO C[C@@H](NC(=O)c1c[nH]c2ccccc12)[C@@H]1CCC[NH2+]C1 ZINC000050162511 525304539 /nfs/dbraw/zinc/30/45/39/525304539.db2.gz HJFKCABTJHKAHR-VXGBXAGGSA-N 1 0 271.364 2.286 10 0 CEAERO Cc1ccccc1O[C@@H](C)C[C@@](C)([NH2+]C1CC1)C(N)=O ZINC000068656323 525321952 /nfs/dbraw/zinc/32/19/52/525321952.db2.gz GRGNGLZXZNKWCA-BLLLJJGKSA-N 1 0 276.380 2.148 10 0 CEAERO C[C@]1(c2ccccc2)C[NH2+]CCN1Cc1cccnc1 ZINC000068696637 525333053 /nfs/dbraw/zinc/33/30/53/525333053.db2.gz BVDFGKPYAPJUJJ-QGZVFWFLSA-N 1 0 267.376 2.402 10 0 CEAERO Cc1ccc(O)c(C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1 ZINC000049560320 525336024 /nfs/dbraw/zinc/33/60/24/525336024.db2.gz ZVDVRZJYRCRRLN-CYBMUJFWSA-N 1 0 278.396 2.407 10 0 CEAERO Cc1ccccc1SC[C@@]([NH3+])(C(N)=O)c1ccccc1 ZINC000045591986 525340555 /nfs/dbraw/zinc/34/05/55/525340555.db2.gz HQGAFRUQCRGUMN-INIZCTEOSA-N 1 0 286.400 2.427 10 0 CEAERO Cc1cc(S[C@@H](c2cccnc2)[C@@H](C)[NH3+])n(C)n1 ZINC000052309626 525439545 /nfs/dbraw/zinc/43/95/45/525439545.db2.gz OECPFIOXJMBHDD-ZWNOBZJWSA-N 1 0 262.382 2.304 10 0 CEAERO Cc1ccc(O[C@H](C)C[C@](C)([NH2+]C2CC2)C(N)=O)c(C)c1 ZINC000068655174 525470212 /nfs/dbraw/zinc/47/02/12/525470212.db2.gz QNOVECKNYOHGMV-DYVFJYSZSA-N 1 0 290.407 2.457 10 0 CEAERO Cc1cc([C@@H]2[C@@H]([NH3+])CC(=O)N2CC(C)C)ccc1F ZINC000070294465 525499038 /nfs/dbraw/zinc/49/90/38/525499038.db2.gz LNNPAYWFSWOGIR-DZGCQCFKSA-N 1 0 264.344 2.391 10 0 CEAERO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@H](C)[NH2+]2)cc1C ZINC000051574601 525573346 /nfs/dbraw/zinc/57/33/46/525573346.db2.gz CABKMTOAAPJBGR-KBPBESRZSA-N 1 0 296.436 2.112 10 0 CEAERO CSC[C@@H](C)C[NH2+]CC(=O)NC1CCCCCC1 ZINC000069448094 525621604 /nfs/dbraw/zinc/62/16/04/525621604.db2.gz JKMPRRJUSFSTLL-LBPRGKRZSA-N 1 0 272.458 2.414 10 0 CEAERO Cc1cc2c(n1[C@H]1CCCNC1=O)CC(C)(C)C[C@@H]2[NH3+] ZINC000050397043 525622664 /nfs/dbraw/zinc/62/26/64/525622664.db2.gz XWKAHXMLUOSPIZ-STQMWFEESA-N 1 0 275.396 2.220 10 0 CEAERO C[C@H](Nc1cc(Cl)ccc1C(N)=O)[C@@H]1CCC[NH2+]C1 ZINC000062785851 525644465 /nfs/dbraw/zinc/64/44/65/525644465.db2.gz NOZVMLRDUONEPN-VHSXEESVSA-N 1 0 281.787 2.239 10 0 CEAERO CSC[C@H](C)C[NH2+]C[C@@H](O)c1ccc2c(c1)OCCO2 ZINC000069447840 525681214 /nfs/dbraw/zinc/68/12/14/525681214.db2.gz PWYSZNYHBZIWMI-DGCLKSJQSA-N 1 0 297.420 2.080 10 0 CEAERO Cc1c(C)n(CC[NH+]2CCCCC2)c2ncnc(N)c12 ZINC000049575425 525683468 /nfs/dbraw/zinc/68/34/68/525683468.db2.gz SHDJDNCLGKFRDR-UHFFFAOYSA-N 1 0 273.384 2.116 10 0 CEAERO C[C@@H](Nc1ccc(C(N)=O)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000062791367 525702612 /nfs/dbraw/zinc/70/26/12/525702612.db2.gz ZHDXTXHJISXGFV-MWLCHTKSSA-N 1 0 281.787 2.239 10 0 CEAERO Cc1ccc([C@@H](C)NS(=O)(=O)C[C@@H]2CCCC[NH2+]2)cc1 ZINC000049631548 525738326 /nfs/dbraw/zinc/73/83/26/525738326.db2.gz XPLOBVZXYKUSRG-HIFRSBDPSA-N 1 0 296.436 2.118 10 0 CEAERO C[C@@]([NH3+])(CN1CCCSCC1)c1ccccc1 ZINC000052883446 525751201 /nfs/dbraw/zinc/75/12/01/525751201.db2.gz APOIIBALJROTTN-CQSZACIVSA-N 1 0 250.411 2.299 10 0 CEAERO Cc1ccc([C@@H](C[NH3+])Sc2n[nH]c(=O)n2C(C)C)cc1 ZINC000061595115 525755957 /nfs/dbraw/zinc/75/59/57/525755957.db2.gz MFJPEBQZNWUHMF-GFCCVEGCSA-N 1 0 292.408 2.253 10 0 CEAERO Cc1c(Cl)cccc1OCC(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000158014406 525784057 /nfs/dbraw/zinc/78/40/57/525784057.db2.gz RNHDZEOOGTYHQJ-YPMHNXCESA-N 1 0 296.798 2.271 10 0 CEAERO Cc1ccsc1C[NH2+]CCN1CCO[C@@H]2CCC[C@@H]21 ZINC000053425790 525857959 /nfs/dbraw/zinc/85/79/59/525857959.db2.gz ORIGNYDHPWDWTJ-UONOGXRCSA-N 1 0 280.437 2.399 10 0 CEAERO C[C@@H](OCC[C@@H]1CCC[NH2+]C1)C(=O)N1CCCCCC1 ZINC000051917573 525903543 /nfs/dbraw/zinc/90/35/43/525903543.db2.gz AVHHQUINCWIQPZ-CABCVRRESA-N 1 0 282.428 2.184 10 0 CEAERO COc1cccc(C[NH2+]CC(C)C)c1OC[C@H](C)O ZINC000062732298 526014550 /nfs/dbraw/zinc/01/45/50/526014550.db2.gz ZPIUDKGAKBIIKT-LBPRGKRZSA-N 1 0 267.369 2.200 10 0 CEAERO Cc1ccc(C(=O)CN2CCC[C@H]2C[NH+](C)C)cc1 ZINC000061645631 526048501 /nfs/dbraw/zinc/04/85/01/526048501.db2.gz DQCZDEWQGHSWLR-HNNXBMFYSA-N 1 0 260.381 2.204 10 0 CEAERO COc1cccc(C[C@@H](C)[NH3+])c1OC[C@H]1CCOC1 ZINC000049689955 526070409 /nfs/dbraw/zinc/07/04/09/526070409.db2.gz SILVNQHUWWCMLC-NEPJUHHUSA-N 1 0 265.353 2.000 10 0 CEAERO Cc1ccc(C(=O)NC[C@H]2CC[C@H](C)[NH2+]C2)cc1F ZINC000062036704 526183523 /nfs/dbraw/zinc/18/35/23/526183523.db2.gz ZPJIMMPENXAWIM-RYUDHWBXSA-N 1 0 264.344 2.252 10 0 CEAERO Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2[NH3+])cc1Cl ZINC000063171882 526201180 /nfs/dbraw/zinc/20/11/80/526201180.db2.gz MQPWMYPDCVEQDM-NWDGAFQWSA-N 1 0 252.745 2.258 10 0 CEAERO Cc1nn(C[C@H]2CCOC2)c(C)c1C[NH2+]C(C)(C)C ZINC000054717532 526285725 /nfs/dbraw/zinc/28/57/25/526285725.db2.gz RVWFUGHUBTUPCJ-CYBMUJFWSA-N 1 0 265.401 2.425 10 0 CEAERO Cc1nn(Cc2cccc(F)c2F)c(C)c1CC[NH3+] ZINC000062802736 526293415 /nfs/dbraw/zinc/29/34/15/526293415.db2.gz KGCFVODSBAYXTJ-UHFFFAOYSA-N 1 0 265.307 2.328 10 0 CEAERO O[C@H](c1cc(Cl)c2c(c1)OCCCO2)[C@@H]1CCC[NH2+]1 ZINC000070319313 526299528 /nfs/dbraw/zinc/29/95/28/526299528.db2.gz GKUOXQROCGOSLK-WCQYABFASA-N 1 0 283.755 2.287 10 0 CEAERO Cc1nn([C@H](c2ccccn2)[C@H](C)[NH3+])c(C)c1Cl ZINC000050586153 526306332 /nfs/dbraw/zinc/30/63/32/526306332.db2.gz FZRRZDOUBAPZQN-SDBXPKJASA-N 1 0 264.760 2.485 10 0 CEAERO Oc1cccc(-c2nnc(CCC[NH2+]C3CC3)o2)c1 ZINC000050617765 526355913 /nfs/dbraw/zinc/35/59/13/526355913.db2.gz XQKHHQJHGGECGC-UHFFFAOYSA-N 1 0 259.309 2.127 10 0 CEAERO c1cn(-c2ccccc2)nc1COC[C@H]1CCC[NH2+]C1 ZINC000061641221 526527868 /nfs/dbraw/zinc/52/78/68/526527868.db2.gz NMWSXKKMTKSWAV-AWEZNQCLSA-N 1 0 271.364 2.389 10 0 CEAERO O=C([C@H]1CC12CC[NH2+]CC2)N1CCC[C@@H]1c1ccc[nH]1 ZINC000070254294 526528993 /nfs/dbraw/zinc/52/89/93/526528993.db2.gz UKBSAYRNLGZQRY-TZMCWYRMSA-N 1 0 273.380 2.068 10 0 CEAERO O=C(CC[C@@H]1CCCC[NH2+]1)N1Cc2ccccc2C1 ZINC000050952221 526547191 /nfs/dbraw/zinc/54/71/91/526547191.db2.gz GTCGSBFPHURHSZ-HNNXBMFYSA-N 1 0 258.365 2.451 10 0 CEAERO c1coc(-c2nnn(CC[NH2+]C3CCCCCC3)n2)c1 ZINC000053539387 526563272 /nfs/dbraw/zinc/56/32/72/526563272.db2.gz DFOOEKLNJWRYBX-UHFFFAOYSA-N 1 0 275.356 2.246 10 0 CEAERO Cc1nc(C)n(Cc2csc(C[NH2+]C(C)(C)C)n2)n1 ZINC000052574342 526765355 /nfs/dbraw/zinc/76/53/55/526765355.db2.gz LIHPBBYFHZNFMD-UHFFFAOYSA-N 1 0 279.413 2.288 10 0 CEAERO NC(=[NH2+])c1cc(Cn2cc(-c3ccccc3)cn2)ccn1 ZINC000068762160 526820504 /nfs/dbraw/zinc/82/05/04/526820504.db2.gz NYRGYUDRBQUJNN-UHFFFAOYSA-N 1 0 277.331 2.277 10 0 CEAERO NC(=[NH2+])c1cc(Cn2ccnc2-c2cccs2)ccn1 ZINC000068762138 526820800 /nfs/dbraw/zinc/82/08/00/526820800.db2.gz FFOHNNAYQKUKPE-UHFFFAOYSA-N 1 0 283.360 2.339 10 0 CEAERO NC(=[NH2+])c1cc(Sc2nc3ccccc3[nH]2)ccn1 ZINC000061814686 526821476 /nfs/dbraw/zinc/82/14/76/526821476.db2.gz MRMPPTPPSMGJSB-UHFFFAOYSA-N 1 0 269.333 2.393 10 0 CEAERO NC(=[NH2+])c1ccccc1CN1Cc2ccccc2C1 ZINC000050911412 526824015 /nfs/dbraw/zinc/82/40/15/526824015.db2.gz NDQQKWAFTXDPMV-UHFFFAOYSA-N 1 0 251.333 2.486 10 0 CEAERO Cc1nc(CN(C)CC[N@H+](C)Cc2ccc(F)cc2)no1 ZINC000161684088 526839827 /nfs/dbraw/zinc/83/98/27/526839827.db2.gz VYJMPBDMCMQPOM-UHFFFAOYSA-N 1 0 292.358 2.081 10 0 CEAERO Cc1nc(CN(C)[C@@]2(C[NH3+])CCCSC2)cs1 ZINC000061590278 526844292 /nfs/dbraw/zinc/84/42/92/526844292.db2.gz OJUUJJPWUGWESQ-GFCCVEGCSA-N 1 0 271.455 2.108 10 0 CEAERO Cc1sc(C(=O)OCCC[NH+]2CCCC2)cc1N ZINC000049334400 526875605 /nfs/dbraw/zinc/87/56/05/526875605.db2.gz UHBGNJPAEWXRQA-UHFFFAOYSA-N 1 0 268.382 2.281 10 0 CEAERO Cc1nc(Cl)cc(OCC[C@H]2CCC[N@H+]2C)n1 ZINC000052835308 526936174 /nfs/dbraw/zinc/93/61/74/526936174.db2.gz JWRLSXIKDYEQDH-SNVBAGLBSA-N 1 0 255.749 2.302 10 0 CEAERO Cc1nc(N(C)C2CCOCC2)sc1C[NH2+]C1CC1 ZINC000054997872 526950518 /nfs/dbraw/zinc/95/05/18/526950518.db2.gz XWALDENFEYOLSX-UHFFFAOYSA-N 1 0 281.425 2.319 10 0 CEAERO Clc1ccc2[nH]c(CN3CCC[NH2+]CC3)nc2c1 ZINC000061145448 526963940 /nfs/dbraw/zinc/96/39/40/526963940.db2.gz ABGIUPPDJOLHAX-UHFFFAOYSA-N 1 0 264.760 2.012 10 0 CEAERO Cc1nc(N2CCOC[C@@H]2C)sc1C[NH2+]C(C)C ZINC000054997328 526971507 /nfs/dbraw/zinc/97/15/07/526971507.db2.gz RTRQLXZPCQYDQY-JTQLQIEISA-N 1 0 269.414 2.175 10 0 CEAERO Cc1nc(N2C[C@@H](C)O[C@H](C)C2)sc1C[NH2+]C1CC1 ZINC000054995461 526973727 /nfs/dbraw/zinc/97/37/27/526973727.db2.gz HNQHPGCVONJHEX-NXEZZACHSA-N 1 0 281.425 2.317 10 0 CEAERO Clc1ccccc1-c1cc(N2CC[NH2+]CC2)n[nH]1 ZINC000062669898 526983476 /nfs/dbraw/zinc/98/34/76/526983476.db2.gz JJERJDRGEFLPML-UHFFFAOYSA-N 1 0 262.744 2.140 10 0 CEAERO O=C1CCCc2nc(N3CC[C@H]([NH+]4CCCC4)C3)sc21 ZINC000062975058 526986808 /nfs/dbraw/zinc/98/68/08/526986808.db2.gz NVUKYTYUVMGPCZ-NSHDSACASA-N 1 0 291.420 2.337 10 0 CEAERO NC(=S)c1ccc(C[N@@H+]2CCC[C@H]2CCCO)c(F)c1 ZINC000052759760 527117533 /nfs/dbraw/zinc/11/75/33/527117533.db2.gz FAJLODFICXIKRR-ZDUSSCGKSA-N 1 0 296.411 2.197 10 0 CEAERO NC(=S)c1ccc(F)cc1C[N@@H+]1CCCC[C@H]1CCO ZINC000069402572 527118898 /nfs/dbraw/zinc/11/88/98/527118898.db2.gz JHFYDNMEVMCLIV-ZDUSSCGKSA-N 1 0 296.411 2.197 10 0 CEAERO [NH3+]C1(c2nc(-c3cccc(-n4cnnn4)c3)cs2)CCC1 ZINC000061713528 527132232 /nfs/dbraw/zinc/13/22/32/527132232.db2.gz KRTQDGDNBWSMGA-UHFFFAOYSA-N 1 0 298.375 2.124 10 0 CEAERO [NH3+]C1CCC(C(=O)NCc2ccc(F)c(F)c2)CC1 ZINC000049578081 527139581 /nfs/dbraw/zinc/13/95/81/527139581.db2.gz KLAYYDIYJHHGML-UHFFFAOYSA-N 1 0 268.307 2.099 10 0 CEAERO [NH3+]C1CCC(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000055143912 527141567 /nfs/dbraw/zinc/14/15/67/527141567.db2.gz GOCAOJXCZYDWOQ-UHFFFAOYSA-N 1 0 275.320 2.008 10 0 CEAERO Cc1nc2ccccc2n1Cc1ccnc(C(N)=[NH2+])c1 ZINC000068762098 527172077 /nfs/dbraw/zinc/17/20/77/527172077.db2.gz AKFMQAJMGRJBMO-UHFFFAOYSA-N 1 0 265.320 2.072 10 0 CEAERO [NH3+]C[C@H](NC(=O)CC[C@H]1CCCCO1)c1ccccc1 ZINC000069405602 527226138 /nfs/dbraw/zinc/22/61/38/527226138.db2.gz CQWQUWKPAOKBSE-CABCVRRESA-N 1 0 276.380 2.152 10 0 CEAERO [NH3+]C[C@H](c1cc2ccccc2o1)N1CCCOCC1 ZINC000068811966 527228555 /nfs/dbraw/zinc/22/85/55/527228555.db2.gz VTZJYVHFOFPBRW-CYBMUJFWSA-N 1 0 260.337 2.155 10 0 CEAERO [NH3+]C[C@H]1CCN(CC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000050250237 527237908 /nfs/dbraw/zinc/23/79/08/527237908.db2.gz YPSFBEKHQQZHQH-SECBINFHSA-N 1 0 287.190 2.457 10 0 CEAERO [NH3+]Cc1cc(CN2c3ccccc3CCC2=O)ccn1 ZINC000068750838 527247250 /nfs/dbraw/zinc/24/72/50/527247250.db2.gz CCPAMVGRYHDZHM-UHFFFAOYSA-N 1 0 267.332 2.020 10 0 CEAERO NC(=O)c1ccc(Oc2c(F)cc(C[NH3+])cc2F)cc1 ZINC000062720678 527249272 /nfs/dbraw/zinc/24/92/72/527249272.db2.gz VDTFCKGTXXUPMA-UHFFFAOYSA-N 1 0 278.258 2.315 10 0 CEAERO [NH3+]Cc1cccc(Br)c1OCCCCCO ZINC000051020056 527259326 /nfs/dbraw/zinc/25/93/26/527259326.db2.gz ZCNGUOPRYRJSHM-UHFFFAOYSA-N 1 0 288.185 2.449 10 0 CEAERO [NH3+]Cc1cnn([C@H]2CCCC[C@@H]2O)c1-c1ccccc1 ZINC000054600018 527263352 /nfs/dbraw/zinc/26/33/52/527263352.db2.gz SBTUPMCGHIIBMH-GJZGRUSLSA-N 1 0 271.364 2.485 10 0 CEAERO [NH3+]Cc1cnc(N2CCc3sccc3C2)s1 ZINC000054864345 527264040 /nfs/dbraw/zinc/26/40/40/527264040.db2.gz OXTHVRGEYFMBDI-UHFFFAOYSA-N 1 0 251.380 2.226 10 0 CEAERO O=S1(=O)CCC[C@@H]([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000069136769 527301257 /nfs/dbraw/zinc/30/12/57/527301257.db2.gz ZMXMPRWXUDUKIP-GMTAPVOTSA-N 1 0 299.358 2.274 10 0 CEAERO O=S1(=O)CC[C@@H](C2(C[NH2+]C3CC3)CCCCC2)C1 ZINC000054655049 527307381 /nfs/dbraw/zinc/30/73/81/527307381.db2.gz YSZLJTYGBLZLCQ-GFCCVEGCSA-N 1 0 271.426 2.124 10 0 CEAERO O=S1(=O)CC[C@@H]([C@H](C[NH2+]C2CC2)Cc2cccs2)C1 ZINC000052951595 527310046 /nfs/dbraw/zinc/31/00/46/527310046.db2.gz NFLLUWJXFJKAFZ-NEPJUHHUSA-N 1 0 299.461 2.094 10 0 CEAERO O=S1(=O)CC[C@@H]([C@@H](C[NH2+]C2CC2)Cc2cccs2)C1 ZINC000052951597 527310093 /nfs/dbraw/zinc/31/00/93/527310093.db2.gz NFLLUWJXFJKAFZ-VXGBXAGGSA-N 1 0 299.461 2.094 10 0 CEAERO [NH3+][C@@H](c1ccccc1)[C@H](O)c1ccc2c(c1)OCCO2 ZINC000054681931 527338882 /nfs/dbraw/zinc/33/88/82/527338882.db2.gz QNPDAQVEUMGMTF-JKSUJKDBSA-N 1 0 271.316 2.191 10 0 CEAERO [NH3+][C@@H](c1cccc(OC(F)(F)F)c1)c1cnccn1 ZINC000061703549 527339182 /nfs/dbraw/zinc/33/91/82/527339182.db2.gz QRBGTFLEPYYASZ-NSHDSACASA-N 1 0 269.226 2.423 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@@H]1NC(=O)CC[C@@H]1CCCCO1 ZINC000069399210 527341891 /nfs/dbraw/zinc/34/18/91/527341891.db2.gz QFUUIVJNQFRKMX-MJBXVCDLSA-N 1 0 268.401 2.112 10 0 CEAERO [NH3+][C@@H]1CCc2c1cccc2OCC(=O)NC1CCCCC1 ZINC000062798861 527373016 /nfs/dbraw/zinc/37/30/16/527373016.db2.gz FPDTUEJSHHUEOA-OAHLLOKOSA-N 1 0 288.391 2.460 10 0 CEAERO [NH3+][C@H](Cc1ccc(Br)cc1)c1cncnc1 ZINC000052886990 527388746 /nfs/dbraw/zinc/38/87/46/527388746.db2.gz DYMRDYHBQDIPCR-GFCCVEGCSA-N 1 0 278.153 2.482 10 0 CEAERO [NH3+][C@H](c1cc(Cl)sc1Cl)[C@@H]1COCCO1 ZINC000055299143 527391359 /nfs/dbraw/zinc/39/13/59/527391359.db2.gz YSGRDYIXINLHID-POYBYMJQSA-N 1 0 268.165 2.470 10 0 CEAERO [NH3+][C@H](Cn1ncccc1=O)c1ccc2ccccc2c1 ZINC000061402820 527391551 /nfs/dbraw/zinc/39/15/51/527391551.db2.gz DKCFHIFWXIHRRS-OAHLLOKOSA-N 1 0 265.316 2.097 10 0 CEAERO [NH3+][C@H]1CCc2c1cccc2OCC(=O)NC1CCCCC1 ZINC000062798860 527415931 /nfs/dbraw/zinc/41/59/31/527415931.db2.gz FPDTUEJSHHUEOA-HNNXBMFYSA-N 1 0 288.391 2.460 10 0 CEAERO [NH3+][C@H]1COc2cc(OCCc3ccccn3)ccc21 ZINC000062803649 527417786 /nfs/dbraw/zinc/41/77/86/527417786.db2.gz KACDKQXHDQZMHV-AWEZNQCLSA-N 1 0 256.305 2.095 10 0 CEAERO Nc1cc(F)c(N[C@H]2CC[N@@H+]3CCC[C@H]23)c(F)c1 ZINC000049564675 527453425 /nfs/dbraw/zinc/45/34/25/527453425.db2.gz NQWNYYNOUKGAIP-NWDGAFQWSA-N 1 0 253.296 2.196 10 0 CEAERO Cn1cnnc1-c1ccccc1NCC1CC[NH+](C)CC1 ZINC000054241611 527519891 /nfs/dbraw/zinc/51/98/91/527519891.db2.gz WXKHTWZJMYWIGA-UHFFFAOYSA-N 1 0 285.395 2.236 10 0 CEAERO Cn1cnnc1Sc1cccc(Cl)c1C[NH3+] ZINC000052905434 527531182 /nfs/dbraw/zinc/53/11/82/527531182.db2.gz KXVSEOPBGVYYCH-UHFFFAOYSA-N 1 0 254.746 2.078 10 0 CEAERO Cn1nccc1[C@H]([NH3+])Cc1cccc(Br)c1 ZINC000069020627 527628523 /nfs/dbraw/zinc/62/85/23/527628523.db2.gz BNBVXWYEMAUQFH-LLVKDONJSA-N 1 0 280.169 2.425 10 0 CEAERO OCc1sc(N2CC[C@H]([NH+]3CCCC3)C2)nc1C1CC1 ZINC000069183309 527643848 /nfs/dbraw/zinc/64/38/48/527643848.db2.gz DURRLGAMSQDAGW-LBPRGKRZSA-N 1 0 293.436 2.187 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H]1[C@@H](C[NH2+]C2CC2)CCCN1C ZINC000070280885 527659355 /nfs/dbraw/zinc/65/93/55/527659355.db2.gz KMYNSUXEEMWWEH-CJNGLKHVSA-N 1 0 276.428 2.172 10 0 CEAERO Cc1nn(C)c(N(C)CC2CC2)c1C[NH2+]C(C)(C)C ZINC000062736586 527670212 /nfs/dbraw/zinc/67/02/12/527670212.db2.gz CNQQEJUGXXQIIQ-UHFFFAOYSA-N 1 0 264.417 2.463 10 0 CEAERO CCC[N@@H+](Cc1c(C)nn(C)c1OC)CC1CC1 ZINC000154688659 528130608 /nfs/dbraw/zinc/13/06/08/528130608.db2.gz CPOASHKWAHAKKH-UHFFFAOYSA-N 1 0 251.374 2.359 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccnc(F)c1F ZINC000097865461 528502644 /nfs/dbraw/zinc/50/26/44/528502644.db2.gz YHIJQKPZQVZYKR-SNVBAGLBSA-N 1 0 285.338 2.066 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H](C)[C@@H]2C)C1 ZINC000174231794 529087804 /nfs/dbraw/zinc/08/78/04/529087804.db2.gz VPSOIDRXHQLFLP-IHRRRGAJSA-N 1 0 267.417 2.301 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1nc(CC(C)C)no1 ZINC000175359930 529096986 /nfs/dbraw/zinc/09/69/86/529096986.db2.gz YZQOZUHNMURTNA-ZDUSSCGKSA-N 1 0 280.416 2.184 10 0 CEAERO CC(C)C[NH+]1CCN(c2ccc([C@H](C)O)c(O)c2)CC1 ZINC000093672552 535106142 /nfs/dbraw/zinc/10/61/42/535106142.db2.gz OPAIFUUXDQWDHN-ZDUSSCGKSA-N 1 0 278.396 2.224 10 0 CEAERO CC[C@H](C)[C@H]([NH3+])CN1CCN(c2cccc(C)c2)CC1 ZINC000039141148 535955231 /nfs/dbraw/zinc/95/52/31/535955231.db2.gz PQVVRBLHNFXIJA-DOTOQJQBSA-N 1 0 275.440 2.490 10 0 CEAERO C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCO2)c2ccccc21 ZINC000071324411 536372985 /nfs/dbraw/zinc/37/29/85/536372985.db2.gz HJAJDMZVNQVZLI-HIFRSBDPSA-N 1 0 274.364 2.253 10 0 CEAERO COc1ccc(Br)cc1N1CC[NH2+][C@H](C)C1 ZINC000083062836 536638738 /nfs/dbraw/zinc/63/87/38/536638738.db2.gz ZIQNECZBNMQMJY-SECBINFHSA-N 1 0 285.185 2.256 10 0 CEAERO COc1cc(N2CCC[C@@H](C[NH2+]C(C)C)C2)nc(C)n1 ZINC000090787032 536828775 /nfs/dbraw/zinc/82/87/75/536828775.db2.gz LXYXCAYHGLPGSQ-ZDUSSCGKSA-N 1 0 278.400 2.008 10 0 CEAERO COc1ccccc1N1CC[NH+]([C@H]2CCC[C@@H](O)C2)CC1 ZINC000093731518 537071306 /nfs/dbraw/zinc/07/13/06/537071306.db2.gz XLPROLVZOLIHLN-LSDHHAIUSA-N 1 0 290.407 2.121 10 0 CEAERO Cc1cc2[nH]c(=O)c3c(n2n1)CC[N@H+](Cc1ccccc1)C3 ZINC000309764019 538740633 /nfs/dbraw/zinc/74/06/33/538740633.db2.gz DEBLDMLXLZFRTO-UHFFFAOYSA-N 1 0 294.358 2.302 10 0 CEAERO C[NH2+][C@@H]1Cc2c[nH]c3cccc(c23)[C@H]1/C=C(\C)CO ZINC000013385412 560216177 /nfs/dbraw/zinc/21/61/77/560216177.db2.gz SAHHMCVYMGARBT-HEESEWQSSA-N 1 0 256.349 2.334 10 0 in-vitro CEAERO Cc1ccc([C@H]2C[NH2+]C[C@@H]2C(=O)OC(C)(C)C)o1 ZINC000757189472 574511808 /nfs/dbraw/zinc/51/18/08/574511808.db2.gz NVOCEWYMVYVAJW-QWRGUYRKSA-N 1 0 251.326 2.233 10 0 CEAERO COc1ccc(C2(C[NH3+])CC(F)(F)C2)cc1OC ZINC000757190581 574511936 /nfs/dbraw/zinc/51/19/36/574511936.db2.gz LNSLBVVSTIUAKY-UHFFFAOYSA-N 1 0 257.280 2.329 10 0 CEAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@H]1c1cnc(Cl)s1 ZINC000757191373 574511997 /nfs/dbraw/zinc/51/19/97/574511997.db2.gz URAOFYSFDXTHKF-SFYZADRCSA-N 1 0 288.800 2.441 10 0 CEAERO CC(C)c1cncc(SC[C@H]2C[NH2+]CCO2)c1 ZINC000757207540 574512341 /nfs/dbraw/zinc/51/23/41/574512341.db2.gz BWSGHOXJLXMGTN-GFCCVEGCSA-N 1 0 252.383 2.286 10 0 CEAERO Nc1ccc(-c2ccc(C=O)s2)c2c1C[NH2+]CC2 ZINC000757210420 574512641 /nfs/dbraw/zinc/51/26/41/574512641.db2.gz FUABHXMXFWYZQE-UHFFFAOYSA-N 1 0 258.346 2.456 10 0 CEAERO C1C[C@H]2CC3(C[C@@H]1[NH2+]2)NCC1(CCCCC1)CO3 ZINC000757150011 574510703 /nfs/dbraw/zinc/51/07/03/574510703.db2.gz PUONCKJSKDMEGO-NNQSOWQGSA-N 1 0 250.386 2.167 10 0 CEAERO CCC1(C)CCN(S(=O)(=O)C[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000757151988 574510857 /nfs/dbraw/zinc/51/08/57/574510857.db2.gz QLLXHVVBHWQDCX-GFCCVEGCSA-N 1 0 290.473 2.202 10 0 CEAERO Cc1cc(C[C@@H]([NH3+])CC2OCCO2)ccc1Cl ZINC000757153790 574511115 /nfs/dbraw/zinc/51/11/15/574511115.db2.gz SJJKDRMWPSJPBA-LLVKDONJSA-N 1 0 255.745 2.281 10 0 CEAERO Cc1cc(Br)cc2c1NC(=O)C[C@H]2C[NH3+] ZINC000757175913 574511366 /nfs/dbraw/zinc/51/13/66/574511366.db2.gz MRZTZICUFPZLGI-ZETCQYMHSA-N 1 0 269.142 2.142 10 0 CEAERO CC(C)(C)OC(=O)N(CC(C)(C)O)c1ccc(C[NH3+])nc1 ZINC000757133177 574826552 /nfs/dbraw/zinc/82/65/52/574826552.db2.gz HGXCRVIVGSGSFV-UHFFFAOYSA-N 1 0 295.383 2.053 10 0 CEAERO CC(C)[C@@H]([NH2+]Cc1cccc(C(F)(F)F)c1)C(N)=O ZINC000107322923 567850387 /nfs/dbraw/zinc/85/03/87/567850387.db2.gz ARJRZFANZLHILD-LLVKDONJSA-N 1 0 274.286 2.305 10 0 CEAERO Cc1cn2c([nH+]1)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C2 ZINC000236045170 570236804 /nfs/dbraw/zinc/23/68/04/570236804.db2.gz PGKPQHATEHQWES-NEPJUHHUSA-N 1 0 292.383 2.243 10 0 CEAERO C[C@@H]([NH3+])[C@H]1COc2cccc(Br)c2C1 ZINC000675063768 570366002 /nfs/dbraw/zinc/36/60/02/570366002.db2.gz OJRXLRWCTUTSBJ-HTQZYQBOSA-N 1 0 256.143 2.347 10 0 CEAERO C[C@H](C[NH2+]C[C@@H](O)COCc1ccco1)C(C)(C)C ZINC000125443305 649916570 /nfs/dbraw/zinc/91/65/70/649916570.db2.gz HZMSFASABZAMFN-CHWSQXEVSA-N 1 0 269.385 2.429 10 0 CEAERO C[C@@H]1CN(Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1[NH3+] ZINC000235364925 625342514 /nfs/dbraw/zinc/34/25/14/625342514.db2.gz OYMUUDBPYFREIE-SKDRFNHKSA-N 1 0 274.286 2.364 10 0 CEAERO CC(C)Oc1cccc(CC(=O)N[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000193509443 625570259 /nfs/dbraw/zinc/57/02/59/625570259.db2.gz XVJAUSFDMONJLJ-XJKSGUPXSA-N 1 0 290.407 2.273 10 0 CEAERO CC(C)[C@@H]([NH3+])CNc1ccccc1S(=O)(=O)C(F)F ZINC000070447793 623135078 /nfs/dbraw/zinc/13/50/78/623135078.db2.gz JBTVBSZCXJMILK-VIFPVBQESA-N 1 0 292.351 2.078 10 0 CEAERO CCS(=O)(=O)c1ccccc1N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000050163869 623328807 /nfs/dbraw/zinc/32/88/07/623328807.db2.gz KVNHQOIANBRPLW-QWHCGFSZSA-N 1 0 296.436 2.280 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)/C=C\c2ccccc2)C1 ZINC000255296097 623530011 /nfs/dbraw/zinc/53/00/11/623530011.db2.gz ZSYJKQJPNNQDNG-KUGGDMIFSA-N 1 0 294.420 2.061 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)N[C@H](C)C(=O)OC(C)(C)C ZINC000090814933 623640831 /nfs/dbraw/zinc/64/08/31/623640831.db2.gz VXYGLJDYXUNVNT-CHWSQXEVSA-N 1 0 272.433 2.283 10 0 CEAERO CCN1CCC[C@H]([NH2+][C@H]2C[C@@H](OC)C23CCC3)C1 ZINC000308367924 623674390 /nfs/dbraw/zinc/67/43/90/623674390.db2.gz MWDQVDWEUNCKBX-MELADBBJSA-N 1 0 252.402 2.018 10 0 CEAERO CC(C)(C[NH+]1CCCC1)NC(=O)c1ccc(F)cc1N ZINC000308619557 623904540 /nfs/dbraw/zinc/90/45/40/623904540.db2.gz MHFCTLHXRQOLJR-UHFFFAOYSA-N 1 0 279.359 2.012 10 0 CEAERO C[C@@H](O)[C@H](C)[NH2+]Cc1c(F)cccc1Br ZINC000309055294 624489988 /nfs/dbraw/zinc/48/99/88/624489988.db2.gz UCXICHKPKPUNJQ-JGVFFNPUSA-N 1 0 276.149 2.447 10 0 CEAERO CCc1cc2c(ncnc2N(C)C[C@@H](C)[NH3+])s1 ZINC000111375733 624515997 /nfs/dbraw/zinc/51/59/97/624515997.db2.gz DHVBYCKDNINUGR-MRVPVSSYSA-N 1 0 250.371 2.037 10 0 CEAERO CCS(=O)(=O)c1ccccc1NC1CCC([NH3+])CC1 ZINC000051693891 624522801 /nfs/dbraw/zinc/52/28/01/624522801.db2.gz GBXGWWGEYHLWHG-UHFFFAOYSA-N 1 0 282.409 2.162 10 0 CEAERO Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cc1Cl ZINC000235340808 624712550 /nfs/dbraw/zinc/71/25/50/624712550.db2.gz POBQFAAJEZXGOH-BXKDBHETSA-N 1 0 252.745 2.068 10 0 CEAERO FC(F)(F)c1ccc(OCCN[C@H]2CC[NH2+]C2)cc1 ZINC000262211938 624743145 /nfs/dbraw/zinc/74/31/45/624743145.db2.gz TWENIPKBLLJJFX-NSHDSACASA-N 1 0 274.286 2.036 10 0 CEAERO CC(C)(C)SCCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000236595436 627395611 /nfs/dbraw/zinc/39/56/11/627395611.db2.gz YRRMLDBAXFTJFV-CYBMUJFWSA-N 1 0 258.431 2.167 10 0 CEAERO C[C@H](NC(=O)[C@@H]([NH3+])CC1CC1)c1ccc(F)c(F)c1 ZINC000312028136 628062729 /nfs/dbraw/zinc/06/27/29/628062729.db2.gz XCODPNLELZARDM-SDBXPKJASA-N 1 0 268.307 2.269 10 0 CEAERO CC[C@@H]1CN(S(=O)(=O)/C=C\c2ccccc2)CC[C@@H]1[NH3+] ZINC000312150463 628141665 /nfs/dbraw/zinc/14/16/65/628141665.db2.gz DOFXPKZMNWRVFU-IFCOSYQSSA-N 1 0 294.420 2.046 10 0 CEAERO CC(C)CC1(c2nc(N3CC[NH2+]CC3)no2)CCCC1 ZINC000312898293 628557133 /nfs/dbraw/zinc/55/71/33/628557133.db2.gz XOZRZUNJGFCBJY-UHFFFAOYSA-N 1 0 278.400 2.337 10 0 CEAERO CN(C)C[C@@H]([NH2+][C@H]1COCC1(C)C)c1ccccc1 ZINC000313089810 628579638 /nfs/dbraw/zinc/57/96/38/628579638.db2.gz SNDQBVWOVPZLOE-CABCVRRESA-N 1 0 262.397 2.304 10 0 CEAERO CC(C)[C@@H]([NH3+])Cc1nc(CCC(F)(F)F)no1 ZINC000094494224 628858997 /nfs/dbraw/zinc/85/89/97/628858997.db2.gz QSSCMDLMHCGQPL-ZETCQYMHSA-N 1 0 251.252 2.090 10 0 CEAERO Cc1ccoc1C[NH2+][C@H]1CCC[C@H]1Oc1cnn(C)c1 ZINC000888099184 628868044 /nfs/dbraw/zinc/86/80/44/628868044.db2.gz UGBQXWHOVIHJRX-UONOGXRCSA-N 1 0 275.352 2.411 10 0 CEAERO CCNc1ccc(C)cc1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000094467106 628927557 /nfs/dbraw/zinc/92/75/57/628927557.db2.gz RBYBXHMLZVPJRM-AWEZNQCLSA-N 1 0 287.407 2.347 10 0 CEAERO Cc1nc(N2CC[C@@H]([C@H](C)[NH3+])C2)ccc1Br ZINC000261533366 628935914 /nfs/dbraw/zinc/93/59/14/628935914.db2.gz HHSCNFGUXFGCEI-WCBMZHEXSA-N 1 0 284.201 2.326 10 0 CEAERO C[NH2+]CC1CCN(c2cncc(Br)c2)CC1 ZINC000261564795 628939158 /nfs/dbraw/zinc/93/91/58/628939158.db2.gz CSAJCPNITGPKSJ-UHFFFAOYSA-N 1 0 284.201 2.280 10 0 CEAERO CCN1CCC[C@H]([NH2+]Cc2ccc(O)c(F)c2)C1 ZINC000232422431 628948066 /nfs/dbraw/zinc/94/80/66/628948066.db2.gz NJQYRYUJPDKMNP-LBPRGKRZSA-N 1 0 252.333 2.105 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1Cc1cc(F)cc2cccnc21 ZINC000261649618 628960435 /nfs/dbraw/zinc/96/04/35/628960435.db2.gz YBTZBBILFOXOQP-QMTHXVAHSA-N 1 0 259.328 2.295 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)[C@@H](OC1CCCC1)c1ccccc1 ZINC000261792908 629238132 /nfs/dbraw/zinc/23/81/32/629238132.db2.gz RAYGIUZMPUXILN-BBRMVZONSA-N 1 0 290.407 2.411 10 0 CEAERO C[C@H](C[NH3+])c1noc(-c2ccc(OC(F)F)cc2)n1 ZINC000054158638 629261935 /nfs/dbraw/zinc/26/19/35/629261935.db2.gz SRCVMZZIWJCXSK-SSDOTTSWSA-N 1 0 269.251 2.400 10 0 CEAERO CCc1ccc(CC(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000237158297 629775409 /nfs/dbraw/zinc/77/54/09/629775409.db2.gz ZRGBKFACSPECMR-HUUCEWRRSA-N 1 0 260.381 2.035 10 0 CEAERO CCCN(C(=O)[C@H](C)Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000178933004 629816597 /nfs/dbraw/zinc/81/65/97/629816597.db2.gz PQLVGDYIDPBRHM-ZBFHGGJFSA-N 1 0 274.408 2.466 10 0 CEAERO C[NH2+]CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000019813999 629945238 /nfs/dbraw/zinc/94/52/38/629945238.db2.gz KQPAJZMLRJSACO-SSDOTTSWSA-N 1 0 261.152 2.390 10 0 CEAERO C[NH2+]CCC(=O)NCC1CCC(C(F)(F)F)CC1 ZINC000262554731 631125000 /nfs/dbraw/zinc/12/50/00/631125000.db2.gz PHQCGSBJJLCYBP-UHFFFAOYSA-N 1 0 266.307 2.081 10 0 CEAERO [NH3+]CCCCCCNc1nc(C(F)(F)F)ns1 ZINC000236167261 631569591 /nfs/dbraw/zinc/56/95/91/631569591.db2.gz QWBFECXLLKMYKB-UHFFFAOYSA-N 1 0 268.308 2.488 10 0 CEAERO C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000252089880 631666649 /nfs/dbraw/zinc/66/66/49/631666649.db2.gz DLDKXVOWYHQNIO-RQJABVFESA-N 1 0 252.402 2.446 10 0 CEAERO CC(C)(C)OC(=O)[C@@H]1Cc2cc(F)ccc2[C@@H]1[NH3+] ZINC000757139659 631822359 /nfs/dbraw/zinc/82/23/59/631822359.db2.gz IKNPVEUVCXPGFX-NEPJUHHUSA-N 1 0 251.301 2.340 10 0 CEAERO CCCC[C@@H]([NH3+])CS(=O)(=O)N1CCC(C)(CC)CC1 ZINC000757154445 631823197 /nfs/dbraw/zinc/82/31/97/631823197.db2.gz ZENCCZMAKZAFIB-CYBMUJFWSA-N 1 0 290.473 2.346 10 0 CEAERO COc1ccc(C2(C(=O)OC(C)(C)C)CC([NH3+])C2)cc1 ZINC000757178533 631828929 /nfs/dbraw/zinc/82/89/29/631828929.db2.gz YHTGUVLDVOEWCV-UHFFFAOYSA-N 1 0 277.364 2.396 10 0 CEAERO [NH3+][C@H]1CCCN(C(=O)[C@@H]2CCCc3ccccc32)C1 ZINC000041028162 632368193 /nfs/dbraw/zinc/36/81/93/632368193.db2.gz CMZQRSOKNMMRAE-DZGCQCFKSA-N 1 0 258.365 2.056 10 0 CEAERO Cc1cc(N2CC[C@@H](CC[NH3+])C2)ncc1Br ZINC000164046486 639344098 /nfs/dbraw/zinc/34/40/98/639344098.db2.gz ZZOJSAGUCXMHGH-SNVBAGLBSA-N 1 0 284.201 2.328 10 0 CEAERO CCC[C@@H]1CC(=O)N(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)C1 ZINC000164975053 639409306 /nfs/dbraw/zinc/40/93/06/639409306.db2.gz GKUARVFRXDEYRJ-BFYDXBDKSA-N 1 0 294.439 2.220 10 0 CEAERO CCc1cccnc1-c1noc(C[C@@H]([NH3+])C(C)C)n1 ZINC000157297319 639478488 /nfs/dbraw/zinc/47/84/88/639478488.db2.gz UZUJGEAOGKVVJJ-LLVKDONJSA-N 1 0 260.341 2.220 10 0 CEAERO CCc1cnccc1-c1noc([C@@H]2CC[C@H]([NH3+])C2)n1 ZINC000167492878 639520113 /nfs/dbraw/zinc/52/01/13/639520113.db2.gz QOQHWDOOFKVBBM-MNOVXSKESA-N 1 0 258.325 2.289 10 0 CEAERO CO[C@@H](c1noc(-c2ccc3c(c2)C[NH2+]C3)n1)C1CC1 ZINC000227331550 639584601 /nfs/dbraw/zinc/58/46/01/639584601.db2.gz MUWRRBHPAXWDSH-CYBMUJFWSA-N 1 0 271.320 2.437 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C[C@@H](O)c1ccc(C)cc1 ZINC000227322037 639586161 /nfs/dbraw/zinc/58/61/61/639586161.db2.gz VASHOJHASLATHW-DLBZAZTESA-N 1 0 276.424 2.445 10 0 CEAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2occc2Br)C1 ZINC000227368451 639587524 /nfs/dbraw/zinc/58/75/24/639587524.db2.gz DCHCCALKEKMUFA-RKDXNWHRSA-N 1 0 274.158 2.435 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc1F ZINC000227581214 639597538 /nfs/dbraw/zinc/59/75/38/639597538.db2.gz ZUCUISVQYNWSPP-CYZMBNFOSA-N 1 0 264.344 2.439 10 0 CEAERO COC(=O)[C@@H]1C[N@H+](Cc2cccc(OC)c2F)C[C@@H]1C ZINC000228611517 639647489 /nfs/dbraw/zinc/64/74/89/639647489.db2.gz ZCONDMBTOFUVKN-CMPLNLGQSA-N 1 0 281.327 2.075 10 0 CEAERO CCCc1nsc(N2CCCC[C@H]2C[NH2+]C)n1 ZINC000087642579 639698185 /nfs/dbraw/zinc/69/81/85/639698185.db2.gz FBNSIYUGWPFQPY-JTQLQIEISA-N 1 0 254.403 2.069 10 0 CEAERO CCS(=O)(=O)c1ccccc1N[C@H]1CCC[NH2+][C@H]1C ZINC000229611901 639709906 /nfs/dbraw/zinc/70/99/06/639709906.db2.gz MYVCZNUQTLUZOH-RYUDHWBXSA-N 1 0 282.409 2.033 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)CCCc1ccccc1 ZINC000061883538 639727605 /nfs/dbraw/zinc/72/76/05/639727605.db2.gz JUGREZMZOGGRSI-GJZGRUSLSA-N 1 0 260.381 2.253 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]2CN(c3ncnc4sccc43)C[C@@H]21 ZINC000230135216 639741191 /nfs/dbraw/zinc/74/11/91/639741191.db2.gz KKKGTMCMYVSODP-ADEWGFFLSA-N 1 0 274.393 2.255 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+]C[C@@H]2CCCOC2)C1 ZINC000230167559 639742763 /nfs/dbraw/zinc/74/27/63/639742763.db2.gz VOQCKFAHJBCFSC-KGLIPLIRSA-N 1 0 298.427 2.260 10 0 CEAERO COC1CC([NH2+]Cc2c[nH]nc2-c2ccc(C)o2)C1 ZINC000230689209 639781534 /nfs/dbraw/zinc/78/15/34/639781534.db2.gz XHZOSJNJXLFIHN-UHFFFAOYSA-N 1 0 261.325 2.245 10 0 CEAERO c1ccc(CCc2nc(C[C@H]3CCC[NH2+]C3)no2)cc1 ZINC000063084463 639822695 /nfs/dbraw/zinc/82/26/95/639822695.db2.gz CQYSFQAMKWJRMB-CQSZACIVSA-N 1 0 271.364 2.397 10 0 CEAERO Fc1ccccc1Cc1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000063084647 639823910 /nfs/dbraw/zinc/82/39/10/639823910.db2.gz AEZLTVZEWAUFHT-LLVKDONJSA-N 1 0 275.327 2.342 10 0 CEAERO CN(Cc1cccnc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000231459593 639856094 /nfs/dbraw/zinc/85/60/94/639856094.db2.gz QPPDZUZDTQALSC-LBPRGKRZSA-N 1 0 253.777 2.309 10 0 CEAERO S=c1sc(C2CC2)nn1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000173897335 639882560 /nfs/dbraw/zinc/88/25/60/639882560.db2.gz MLOUUBZMKZTWEM-LLVKDONJSA-N 1 0 296.465 2.289 10 0 CEAERO O[C@H](C[NH+]1CCN(C/C=C/Cl)CC1)c1ccccc1 ZINC000105911777 640974779 /nfs/dbraw/zinc/97/47/79/640974779.db2.gz BDLYUFAPYIPVGB-NFBGWVBBSA-N 1 0 280.799 2.090 10 0 CEAERO C[NH+](C)[C@@H]1CCN(CN2c3cccc4cccc(c34)C2=O)C1 ZINC000170843566 641340907 /nfs/dbraw/zinc/34/09/07/641340907.db2.gz FLHPXRWQRCXLGU-CQSZACIVSA-N 1 0 295.386 2.393 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1cc(-c2ccccc2)on1 ZINC000237838828 641389326 /nfs/dbraw/zinc/38/93/26/641389326.db2.gz PQZURHFDKRCOGE-CHWSQXEVSA-N 1 0 285.347 2.199 10 0 CEAERO C[NH2+]CC(=O)N[C@@H](C)c1cc(Cl)ccc1Cl ZINC000261558309 641521708 /nfs/dbraw/zinc/52/17/08/641521708.db2.gz YBQBSIMXPNRAJZ-ZETCQYMHSA-N 1 0 261.152 2.390 10 0 CEAERO CC[C@H]([NH2+]C[C@](C)(O)c1ccccc1)[C@@H]1CCCO1 ZINC000182347781 641649110 /nfs/dbraw/zinc/64/91/10/641649110.db2.gz ZAIXIASAUNNXTM-JYJNAYRXSA-N 1 0 263.381 2.441 10 0 CEAERO CCC[C@@H](C(=O)NCc1ccc(C(C)(C)O)cc1)[NH+](C)C ZINC000184701033 641895294 /nfs/dbraw/zinc/89/52/94/641895294.db2.gz CJMRPUIRMHRGND-HNNXBMFYSA-N 1 0 292.423 2.261 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1C(=O)NCCSC(F)(F)F ZINC000231945994 641992656 /nfs/dbraw/zinc/99/26/56/641992656.db2.gz WIJCWMIVSGIWAU-DTWKUNHWSA-N 1 0 284.347 2.121 10 0 CEAERO Cc1cc2c(ncnc2N2C[C@@H](C)[NH2+]C[C@@H]2C)s1 ZINC000086471557 643340523 /nfs/dbraw/zinc/34/05/23/643340523.db2.gz AXPXEVDAWMSRHO-BDAKNGLRSA-N 1 0 262.382 2.186 10 0 CEAERO C[NH2+][C@@H]1CCCN(c2ncnc3sc(C)cc32)C1 ZINC000110779305 643512088 /nfs/dbraw/zinc/51/20/88/643512088.db2.gz XEMCIZDKAASPQE-SNVBAGLBSA-N 1 0 262.382 2.188 10 0 CEAERO CC[C@@H]1CC[N@H+](Cn2cnc3c2ncnc3NC(C)C)C1 ZINC000119506172 646745411 /nfs/dbraw/zinc/74/54/11/646745411.db2.gz HJDPSMZHUQNQCC-GFCCVEGCSA-N 1 0 288.399 2.336 10 0 CEAERO [NH3+][C@@H](CC(=O)N[C@@H]1CCCc2ccccc21)C1CC1 ZINC000123628865 649080652 /nfs/dbraw/zinc/08/06/52/649080652.db2.gz HHBAWHARMAKDNE-LSDHHAIUSA-N 1 0 258.365 2.308 10 0 CEAERO C[C@@H]1CN(Cc2ccnc(Cl)c2)C[C@@H]1[NH+](C)C ZINC000124117425 649400715 /nfs/dbraw/zinc/40/07/15/649400715.db2.gz DGJPKOARWCJKKA-PWSUYJOCSA-N 1 0 253.777 2.117 10 0 CEAERO CCCn1cc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cn1 ZINC000125001565 649776254 /nfs/dbraw/zinc/77/62/54/649776254.db2.gz OUHPIJHFYBVXBT-JSGCOSHPSA-N 1 0 293.415 2.143 10 0 CEAERO Cc1nc(C[NH2+][C@H]2CCCC[C@H]2CO)sc1C ZINC000125016927 649778157 /nfs/dbraw/zinc/77/81/57/649778157.db2.gz FBPPLSRFGAXFRN-RYUDHWBXSA-N 1 0 254.399 2.401 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc(F)c(Cl)c1 ZINC000212935407 652217145 /nfs/dbraw/zinc/21/71/45/652217145.db2.gz UWJREFGAXPFDDI-JOYOIKCWSA-N 1 0 270.735 2.336 10 0 CEAERO CC[C@H](C)c1ccc(S(=O)(=O)NC[C@@H]2CC[NH2+]C2)cc1 ZINC000131871003 652474905 /nfs/dbraw/zinc/47/49/05/652474905.db2.gz CGESBRQNDLABNT-QWHCGFSZSA-N 1 0 296.436 2.088 10 0 CEAERO C[C@H](C[C@@H]1COCCN1)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000133571224 652666204 /nfs/dbraw/zinc/66/62/04/652666204.db2.gz IVABATPKWNXZGI-NTZNESFSSA-N 1 0 284.350 2.382 10 0 CEAERO CC[NH+](CC)[C@@H]1CCN(C(=O)N2CCCCC2)C1 ZINC000135397995 652967805 /nfs/dbraw/zinc/96/78/05/652967805.db2.gz PZIYHWHRLLONMP-CYBMUJFWSA-N 1 0 253.390 2.008 10 0 CEAERO C[C@@H](CNC(=O)[C@@]1(C)CCCC[NH2+]1)c1ccccc1 ZINC000136143479 653046050 /nfs/dbraw/zinc/04/60/50/653046050.db2.gz WDYKCEBSDSPTLJ-XJKSGUPXSA-N 1 0 260.381 2.439 10 0 CEAERO C[NH+](C)CC1CCN(c2cc(N)cc(Cl)n2)CC1 ZINC000229530466 721944357 /nfs/dbraw/zinc/94/43/57/721944357.db2.gz KTHNPFWWVZIPFD-UHFFFAOYSA-N 1 0 268.792 2.095 10 0 CEAERO CCC[NH2+][C@@H](CCC)[C@H](CC)S(=O)(=O)CCCOC ZINC000081985845 177913399 /nfs/dbraw/zinc/91/33/99/177913399.db2.gz QBQWHRNDMDUXBO-KBPBESRZSA-N 1 0 293.473 2.385 10 0 CEAERO CC[C@H]([NH3+])C[S@@](=O)c1cccc(Br)c1 ZINC000081994950 177915807 /nfs/dbraw/zinc/91/58/07/177915807.db2.gz QDALYFBZIITSMX-XPTSAGLGSA-N 1 0 276.199 2.294 10 0 CEAERO CC(C)(NC(=O)[C@H]1CCC[NH2+]C1)c1ccccc1F ZINC000082259572 177932829 /nfs/dbraw/zinc/93/28/29/177932829.db2.gz FYHVZSJWVQFAMY-NSHDSACASA-N 1 0 264.344 2.177 10 0 CEAERO C[C@H]1CC(F)(F)CCN1C(=O)CC[C@H]1CCC[NH2+]1 ZINC000638630441 370644699 /nfs/dbraw/zinc/64/46/99/370644699.db2.gz MRFYVRFGSPLJED-WDEREUQCSA-N 1 0 260.328 2.165 10 0 CEAERO COc1ccccc1C[C@H]([NH2+][C@@H](C)CO)C(C)C ZINC000127633253 187321394 /nfs/dbraw/zinc/32/13/94/187321394.db2.gz XNQDOYRTGWOGKD-JSGCOSHPSA-N 1 0 251.370 2.233 10 0 CEAERO Cc1nc2ccccc2nc1N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000228165093 282088850 /nfs/dbraw/zinc/08/88/50/282088850.db2.gz ZFOYKSKMZUBXPI-JQWIXIFHSA-N 1 0 256.353 2.112 10 0 CEAERO CC[NH2+]Cc1sc(N2CCOCC2)nc1C(C)C ZINC000082434928 178012483 /nfs/dbraw/zinc/01/24/83/178012483.db2.gz JMIFSTBDRLNHNP-UHFFFAOYSA-N 1 0 269.414 2.213 10 0 CEAERO [NH3+][C@@H](c1ccccc1Br)[C@@H]1CCOC1 ZINC000082457102 178033951 /nfs/dbraw/zinc/03/39/51/178033951.db2.gz PKWKCTFEVVKYSI-LDYMZIIASA-N 1 0 256.143 2.485 10 0 CEAERO CO[C@@H]1COC[C@H]1[N@@H+]1CCSC2(CCCCC2)C1 ZINC000336199742 365525887 /nfs/dbraw/zinc/52/58/87/365525887.db2.gz QSJCMSZUNQATMS-CHWSQXEVSA-N 1 0 271.426 2.152 10 0 CEAERO COC1(C[N@@H+]2CCC[C@]3(CCCOC3)C2)CCC1 ZINC000336200693 365526622 /nfs/dbraw/zinc/52/66/22/365526622.db2.gz BIPFCHMRSVXNAI-AWEZNQCLSA-N 1 0 253.386 2.448 10 0 CEAERO C[N@H+](Cc1ccco1)C1CCN(CCn2cccn2)CC1 ZINC000121190271 365533185 /nfs/dbraw/zinc/53/31/85/365533185.db2.gz DUODSYYBLHRFIK-UHFFFAOYSA-N 1 0 288.395 2.073 10 0 CEAERO FC1(F)CCC[C@@H]1C[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000336265859 365540678 /nfs/dbraw/zinc/54/06/78/365540678.db2.gz ZLKAVAOTLWUUKL-CHWSQXEVSA-N 1 0 275.339 2.303 10 0 CEAERO [NH3+]CCc1ccccc1-n1cc(Br)cn1 ZINC000082612159 178125778 /nfs/dbraw/zinc/12/57/78/178125778.db2.gz GTVCEZTURJABSR-UHFFFAOYSA-N 1 0 266.142 2.136 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1NC(=O)c1sccc1Br ZINC000082614191 178126654 /nfs/dbraw/zinc/12/66/54/178126654.db2.gz WYOWAAVLKYOUDV-HTQZYQBOSA-N 1 0 289.198 2.120 10 0 CEAERO Cc1ccc(NC(=O)C2([NH3+])CCOCC2)cc1Cl ZINC000127698148 187326924 /nfs/dbraw/zinc/32/69/24/187326924.db2.gz WSBCCBXBTMRBEJ-UHFFFAOYSA-N 1 0 268.744 2.095 10 0 CEAERO c1ccc(O[C@H]2CC[C@H]3[C@H]2OCC[N@H+]3CC2CC2)nc1 ZINC000096042289 185069981 /nfs/dbraw/zinc/06/99/81/185069981.db2.gz GMIWAQWZFNNNTK-OFQRWUPVSA-N 1 0 274.364 2.102 10 0 CEAERO c1c2nc([C@H]3CCCC[NH2+]3)[nH]c2cc2c1OCCO2 ZINC000034939137 361799307 /nfs/dbraw/zinc/79/93/07/361799307.db2.gz PNLHOTANJFUFIJ-SECBINFHSA-N 1 0 259.309 2.149 10 0 CEAERO C[C@@H]([NH3+])CC[S@@](=O)c1ccccc1Br ZINC000082747249 178269234 /nfs/dbraw/zinc/26/92/34/178269234.db2.gz YKZHVKAGGHVDJN-CLAHSXSESA-N 1 0 276.199 2.294 10 0 CEAERO C[NH2+]CCC[S@@](=O)c1ccccc1Br ZINC000082747306 178269470 /nfs/dbraw/zinc/26/94/70/178269470.db2.gz OWWXQJQGZAEDHW-AWEZNQCLSA-N 1 0 276.199 2.166 10 0 CEAERO Cc1ccc(C[N@H+]2CCC[C@@H]2C(=O)N(C)C)c(C)c1 ZINC000122683341 365630466 /nfs/dbraw/zinc/63/04/66/365630466.db2.gz WBJJBXCFDCPPRD-OAHLLOKOSA-N 1 0 260.381 2.356 10 0 CEAERO c1cn([C@@H]2CO[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000096072838 185088274 /nfs/dbraw/zinc/08/82/74/185088274.db2.gz PXNWSKSJPBZLHN-IRXDYDNUSA-N 1 0 283.375 2.489 10 0 CEAERO C[NH2+][C@H]1CCC[C@@H](S(=O)(=O)c2cccs2)C1 ZINC000082818537 178316526 /nfs/dbraw/zinc/31/65/26/178316526.db2.gz VVJKXRUFCPFPGQ-VHSXEESVSA-N 1 0 259.396 2.052 10 0 CEAERO CC[NH2+][C@@H]1CC[C@@H](S(=O)(=O)c2cccs2)C1 ZINC000082819981 178316563 /nfs/dbraw/zinc/31/65/63/178316563.db2.gz OJICNPSTPVGFSS-NXEZZACHSA-N 1 0 259.396 2.052 10 0 CEAERO COc1cc(Cl)c([C@H](O)[C@H]2CCC[NH2+]2)cc1OC ZINC000083157361 178344232 /nfs/dbraw/zinc/34/42/32/178344232.db2.gz OUEOMWVGPGRWMQ-MFKMUULPSA-N 1 0 271.744 2.143 10 0 CEAERO C[C@@](O)(C[NH3+])CSc1ccc(Br)cc1 ZINC000082917435 178329503 /nfs/dbraw/zinc/32/95/03/178329503.db2.gz DYTNPCWSLZLCKY-SNVBAGLBSA-N 1 0 276.199 2.251 10 0 CEAERO C[C@]([NH3+])(CO)CSc1ccccc1Br ZINC000082904645 178329674 /nfs/dbraw/zinc/32/96/74/178329674.db2.gz CGNZUDALAJDLPT-JTQLQIEISA-N 1 0 276.199 2.251 10 0 CEAERO CC(C)n1nnnc1C[N@@H+]1C[C@@H](C)CCC[C@@H]1C ZINC000125203775 187174939 /nfs/dbraw/zinc/17/49/39/187174939.db2.gz XQECXYFLAPJYED-RYUDHWBXSA-N 1 0 251.378 2.265 10 0 CEAERO Cc1ccc([S@](=O)C[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000083309215 178380135 /nfs/dbraw/zinc/38/01/35/178380135.db2.gz MXHRUKTWTFFMPK-DYVFJYSZSA-N 1 0 251.395 2.411 10 0 CEAERO CC[C@H]1CN(CCc2ccccc2F)[C@H](C)C[NH2+]1 ZINC000083383546 178386214 /nfs/dbraw/zinc/38/62/14/178386214.db2.gz SWJDSNCLCNXLTI-OCCSQVGLSA-N 1 0 250.361 2.441 10 0 CEAERO Cc1nc(N2CC[NH+](Cc3ccccc3)CC2)ccc1N ZINC000036250986 361837084 /nfs/dbraw/zinc/83/70/84/361837084.db2.gz FKSNIWLLCVJNOY-UHFFFAOYSA-N 1 0 282.391 2.294 10 0 CEAERO [NH3+][C@H](CO)c1cc2cc(Br)ccc2o1 ZINC000096884244 185120718 /nfs/dbraw/zinc/12/07/18/185120718.db2.gz HFVIHPADTPQABW-MRVPVSSYSA-N 1 0 256.099 2.187 10 0 CEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)C(C)C)cc1 ZINC000096891072 185124551 /nfs/dbraw/zinc/12/45/51/185124551.db2.gz KQVJJPZREOTTAS-UHFFFAOYSA-N 1 0 255.383 2.368 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000036873114 361865843 /nfs/dbraw/zinc/86/58/43/361865843.db2.gz QJHUINHBDZSVEP-HNNXBMFYSA-N 1 0 289.423 2.079 10 0 CEAERO CC(C)([NH3+])[C@@H](O)Cc1ccccc1Br ZINC000096951304 185139811 /nfs/dbraw/zinc/13/98/11/185139811.db2.gz ALHALRGACSYYMK-JTQLQIEISA-N 1 0 258.159 2.090 10 0 CEAERO C[C@H]([NH2+]C[C@H](O)COc1ccccc1Cl)[C@H]1CCCO1 ZINC000037889773 361958960 /nfs/dbraw/zinc/95/89/60/361958960.db2.gz JLGATXQHOGMMTJ-SGMGOOAPSA-N 1 0 299.798 2.237 10 0 CEAERO C[C@H]([NH2+]C[C@H](O)COc1ccccc1Cl)[C@@H]1CCCO1 ZINC000037889771 361959083 /nfs/dbraw/zinc/95/90/83/361959083.db2.gz JLGATXQHOGMMTJ-OBJOEFQTSA-N 1 0 299.798 2.237 10 0 CEAERO O=C1C(C[NH2+]Cc2ccccc2)=CC2=CC=C[C@H]3CCN1[C@H]23 ZINC000039287454 361987385 /nfs/dbraw/zinc/98/73/85/361987385.db2.gz XBTUVTRHDJGMFX-YJBOKZPZSA-N 1 0 292.382 2.430 10 0 CEAERO CCCC[NH2+]CC1=CC2=CC=C[C@@H]3CCN(C1=O)[C@@H]23 ZINC000039287393 361987491 /nfs/dbraw/zinc/98/74/91/361987491.db2.gz SSSGBWKAGIYVJB-IUODEOHRSA-N 1 0 258.365 2.029 10 0 CEAERO Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@H](CO)CC(C)C ZINC000040777755 361998808 /nfs/dbraw/zinc/99/88/08/361998808.db2.gz VYOSLLHWEBVKCI-HOTGVXAUSA-N 1 0 295.423 2.040 10 0 CEAERO CN(CC1(C[NH3+])CCOCC1)c1ccccc1F ZINC000052183125 522591949 /nfs/dbraw/zinc/59/19/49/522591949.db2.gz SQJGIXRHLJNLDF-UHFFFAOYSA-N 1 0 252.333 2.017 10 0 CEAERO COc1cccc(CN(C)[C@@H]2CCC[NH2+]CC2)c1F ZINC000226467876 539172226 /nfs/dbraw/zinc/17/22/26/539172226.db2.gz ADJYCYQKVZJQQY-CYBMUJFWSA-N 1 0 266.360 2.408 10 0 CEAERO Cc1cc(C(=O)N(C)C[C@H]2CC[N@H+](C)C2)cc(Cl)n1 ZINC000125801459 187200784 /nfs/dbraw/zinc/20/07/84/187200784.db2.gz RVNANVWZUNEMIH-NSHDSACASA-N 1 0 281.787 2.067 10 0 CEAERO OCCN(Cc1ccccc1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000725241646 539190101 /nfs/dbraw/zinc/19/01/01/539190101.db2.gz KOQAZGJRBWABER-IRXDYDNUSA-N 1 0 274.408 2.108 10 0 CEAERO CC(C)[C@H](C)NC(=O)N1CC[C@@H]([NH3+])[C@H](C(F)(F)F)CC1 ZINC000725262550 539210756 /nfs/dbraw/zinc/21/07/56/539210756.db2.gz FZSMMRCTBGRQKE-HBNTYKKESA-N 1 0 295.349 2.342 10 0 CEAERO CCCCNC(=O)N[C@@H]1CC[NH2+]CC[C@@H]1C(F)(F)F ZINC000725262863 539211984 /nfs/dbraw/zinc/21/19/84/539211984.db2.gz PSOLQUWLOLBJDV-VHSXEESVSA-N 1 0 281.322 2.016 10 0 CEAERO CC(C)(C)C(=O)N[C@@H]1CC[NH2+]CC[C@@H]1C(F)(F)F ZINC000725262866 539212028 /nfs/dbraw/zinc/21/20/28/539212028.db2.gz PVSGNIBOOMRBCQ-DTWKUNHWSA-N 1 0 266.307 2.079 10 0 CEAERO CC(C)CNC(=O)N1CCC[C@H]([C@@]23CC[C@@H]2CC[NH2+]3)C1 ZINC000725263434 539212226 /nfs/dbraw/zinc/21/22/26/539212226.db2.gz GGYAUZWCKXHOFV-IJEWVQPXSA-N 1 0 279.428 2.206 10 0 CEAERO CC(C)(C)C(=O)N1CCC[C@H]([C@]23CC[C@@H]2CC[NH2+]3)C1 ZINC000725263608 539212241 /nfs/dbraw/zinc/21/22/41/539212241.db2.gz VAVPIJJGYAUEHT-WWGRRREGSA-N 1 0 264.413 2.413 10 0 CEAERO CCCCS(=O)(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000725264182 539212597 /nfs/dbraw/zinc/21/25/97/539212597.db2.gz FSTOVTCPVWTDGM-UHFFFAOYSA-N 1 0 270.398 2.422 10 0 CEAERO Fc1ccc(-c2cnnn2[C@@H]2CCC[NH2+]CC2)cc1 ZINC000725266083 539213449 /nfs/dbraw/zinc/21/34/49/539213449.db2.gz KYPMDKNPGWVBHW-CYBMUJFWSA-N 1 0 260.316 2.399 10 0 CEAERO CC[C@H]([NH2+]C[C@H]1CN(CC)CCO1)[C@H]1CC1(C)C ZINC000397815613 539244265 /nfs/dbraw/zinc/24/42/65/539244265.db2.gz JODGYMJJYCAYBL-MJBXVCDLSA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(OC)ns1 ZINC000399013697 539263360 /nfs/dbraw/zinc/26/33/60/539263360.db2.gz BFCFSXZUSITCOW-VXGBXAGGSA-N 1 0 281.425 2.210 10 0 CEAERO CCC[C@@H](C(=O)Nc1cccc(C)c1O)[NH+](C)C ZINC000132311093 539265684 /nfs/dbraw/zinc/26/56/84/539265684.db2.gz GVCNCRWWZFIVSC-LBPRGKRZSA-N 1 0 250.342 2.369 10 0 CEAERO CSc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)cc1 ZINC000282299496 539277052 /nfs/dbraw/zinc/27/70/52/539277052.db2.gz JQJDRCPCWQZCOZ-ZWNOBZJWSA-N 1 0 264.394 2.165 10 0 CEAERO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1C1CCCC1 ZINC000336616727 365725246 /nfs/dbraw/zinc/72/52/46/365725246.db2.gz USDKHQVZHQFAPB-UHFFFAOYSA-N 1 0 250.386 2.262 10 0 CEAERO Cc1ccc(O[C@@H](C)C(N)=[NH2+])c(Br)c1 ZINC000043515877 362146669 /nfs/dbraw/zinc/14/66/69/362146669.db2.gz AKKNEOLEAPTIKB-ZETCQYMHSA-N 1 0 257.131 2.461 10 0 CEAERO C[N@@H+]1C[C@@H](CO)C[C@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000034064276 343419051 /nfs/dbraw/zinc/41/90/51/343419051.db2.gz UFKTZIXVYHGAES-VZJVUDMVSA-N 1 0 256.349 2.120 10 0 CEAERO NC(=O)C(c1ccccc1)(c1ccccc1)C1CC[NH2+]CC1 ZINC000034111400 343419110 /nfs/dbraw/zinc/41/91/10/343419110.db2.gz ZQIROZHBYBKUKO-UHFFFAOYSA-N 1 0 294.398 2.458 10 0 CEAERO Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@H](CO)CC(C)C)c1 ZINC000040776859 343438171 /nfs/dbraw/zinc/43/81/71/343438171.db2.gz HVDRHTNQGWYWGF-JKSUJKDBSA-N 1 0 295.423 2.040 10 0 CEAERO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@@H](O)C2)cc1 ZINC000037164830 343426252 /nfs/dbraw/zinc/42/62/52/343426252.db2.gz OBAHNGXBVLXOCK-HUUCEWRRSA-N 1 0 262.353 2.038 10 0 CEAERO Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCC[C@@H](O)C2)o1 ZINC000037321347 343426704 /nfs/dbraw/zinc/42/67/04/343426704.db2.gz CFGCUCREYLPPTE-QWHCGFSZSA-N 1 0 275.352 2.371 10 0 CEAERO C[C@@H](NC(=O)C[NH2+]C1CC1)c1ccccc1Br ZINC000037390221 343427249 /nfs/dbraw/zinc/42/72/49/343427249.db2.gz OVXLOEOONAHSNG-SECBINFHSA-N 1 0 297.196 2.378 10 0 CEAERO COC(=O)c1cccc(NC(=O)C2CCC([NH3+])CC2)c1C ZINC000037628813 343430140 /nfs/dbraw/zinc/43/01/40/343430140.db2.gz JJUNCKMKNYKAAA-UHFFFAOYSA-N 1 0 290.363 2.238 10 0 CEAERO [NH3+]Cc1ccccc1-n1cc(Br)cn1 ZINC000038053994 343433104 /nfs/dbraw/zinc/43/31/04/343433104.db2.gz OPRZZMPSUJRJLX-UHFFFAOYSA-N 1 0 252.115 2.094 10 0 CEAERO CC(C)[C@H](C)NC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000047685810 362222023 /nfs/dbraw/zinc/22/20/23/362222023.db2.gz FSCNVLATLUQGNX-AWEZNQCLSA-N 1 0 289.423 2.388 10 0 CEAERO Cc1ccc(OCC(=O)NCCCC[NH+]2CCCC2)cc1 ZINC000044456115 343472094 /nfs/dbraw/zinc/47/20/94/343472094.db2.gz BWZCYTXTZCPDNL-UHFFFAOYSA-N 1 0 290.407 2.366 10 0 CEAERO CC(C)c1nsc(N2CCC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000227879497 539323297 /nfs/dbraw/zinc/32/32/97/539323297.db2.gz NGLNENWUEXKABL-UWVGGRQHSA-N 1 0 254.403 2.225 10 0 CEAERO [NH3+]C1CCC(C(=O)NCCCOc2ccccc2)CC1 ZINC000050212103 343542246 /nfs/dbraw/zinc/54/22/46/343542246.db2.gz XTUUZCXBYSVXCJ-UHFFFAOYSA-N 1 0 276.380 2.089 10 0 CEAERO CCC[C@@H]1CN(Cc2nccs2)C[C@H]1[NH+](C)C ZINC000082146065 539324527 /nfs/dbraw/zinc/32/45/27/539324527.db2.gz DQZLDYQFKZCEPD-VXGBXAGGSA-N 1 0 253.415 2.305 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)NCCSc1ccccc1 ZINC000054308284 343587288 /nfs/dbraw/zinc/58/72/88/343587288.db2.gz NGQZEOOCLFJDDS-CYBMUJFWSA-N 1 0 278.421 2.285 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)Cc2ccoc2C)C1 ZINC000056752811 343619664 /nfs/dbraw/zinc/61/96/64/343619664.db2.gz QIAZZEIJCLERLF-CQSZACIVSA-N 1 0 279.384 2.214 10 0 CEAERO COc1ccc(OC)c(C[N@@H+]2CCC[C@H](O)[C@@H]2C)c1 ZINC000295041984 199316165 /nfs/dbraw/zinc/31/61/65/199316165.db2.gz OUWIEAOGCQKFBE-FZMZJTMJSA-N 1 0 265.353 2.049 10 0 CEAERO CC(C)(C)c1cc(NC(=O)[C@@]2(C)CCCC[NH2+]2)n[nH]1 ZINC000228343878 539337559 /nfs/dbraw/zinc/33/75/59/539337559.db2.gz VINUQDMHWZJJGW-CQSZACIVSA-N 1 0 264.373 2.178 10 0 CEAERO Cc1ccc(CN(C)C(=O)c2c[nH+]ccc2N)cc1 ZINC000126898259 187268692 /nfs/dbraw/zinc/26/86/92/187268692.db2.gz UITAVWWOUGOAEJ-UHFFFAOYSA-N 1 0 255.321 2.244 10 0 CEAERO CCOC1CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC000060523138 343659707 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344348692 /nfs/dbraw/zinc/34/86/92/344348692.db2.gz DHQGMFLWCCBDEM-NEPJUHHUSA-N 1 0 255.406 2.014 10 0 CEAERO CCCOc1cc(C)ccc1NC(=O)C1([NH3+])CCOCC1 ZINC000132150786 344361857 /nfs/dbraw/zinc/36/18/57/344361857.db2.gz RACFOHOGZPAFFV-UHFFFAOYSA-N 1 0 292.379 2.230 10 0 CEAERO [NH2+]=C1NC[C@@H](c2nccs2)N1Cc1ccccc1 ZINC000132177468 344362162 /nfs/dbraw/zinc/36/21/62/344362162.db2.gz MYTPQBQJLYBYLI-NSHDSACASA-N 1 0 258.350 2.015 10 0 CEAERO CCN1CCO[C@H](C[NH2+]Cc2ccnc3ccccc23)C1 ZINC000134482070 344374649 /nfs/dbraw/zinc/37/46/49/344374649.db2.gz IBCKNUBVQWEFDJ-OAHLLOKOSA-N 1 0 285.391 2.045 10 0 CEAERO CS(=O)(=O)c1cccc(C2([NH3+])CCCCC2)c1 ZINC000145176313 344408825 /nfs/dbraw/zinc/40/88/25/344408825.db2.gz SKJKJDCAARIWHT-UHFFFAOYSA-N 1 0 253.367 2.208 10 0 CEAERO C[NH+](C)C[C@@H]1CCCN1c1cc(N)c(N)cc1Cl ZINC000149096202 344414572 /nfs/dbraw/zinc/41/45/72/344414572.db2.gz VOQKCWMAUIFRIT-VIFPVBQESA-N 1 0 268.792 2.035 10 0 CEAERO [NH3+]C[C@@H]1CCCN1C(=O)CCc1c[nH]c2ccccc12 ZINC000156073429 344440920 /nfs/dbraw/zinc/44/09/20/344440920.db2.gz JOTKRUMQRWAROR-ZDUSSCGKSA-N 1 0 271.364 2.050 10 0 CEAERO C[NH2+]Cc1ncc(Br)cc1Br ZINC000159790739 344455410 /nfs/dbraw/zinc/45/54/10/344455410.db2.gz LRFYYTOMPJEULA-UHFFFAOYSA-N 1 0 279.963 2.326 10 0 CEAERO CCSCC[C@@H](C)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000160198493 344457700 /nfs/dbraw/zinc/45/77/00/344457700.db2.gz DRWBKQBDPZTQNC-NEPJUHHUSA-N 1 0 258.431 2.024 10 0 CEAERO Cc1cnc(NC(C)(C)C[NH3+])c(Br)c1 ZINC000163488089 344470575 /nfs/dbraw/zinc/47/05/75/344470575.db2.gz BPEHIXTUBHQHAY-UHFFFAOYSA-N 1 0 258.163 2.302 10 0 CEAERO CC(C)Oc1ccccc1CC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170864008 344491801 /nfs/dbraw/zinc/49/18/01/344491801.db2.gz MWPGNHHAFNCQSN-OAHLLOKOSA-N 1 0 290.407 2.179 10 0 CEAERO Clc1ccc(Br)c(OC2C[NH2+]C2)c1 ZINC000218478628 344536329 /nfs/dbraw/zinc/53/63/29/344536329.db2.gz YREABAIRRQQBHF-UHFFFAOYSA-N 1 0 262.534 2.453 10 0 CEAERO Cc1cc(I)nn1-c1cc[nH+]cc1 ZINC000220115915 344538067 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ZINC000053150506 362484574 /nfs/dbraw/zinc/48/45/74/362484574.db2.gz BHXQSGOFCHZSCU-AWEZNQCLSA-N 1 0 296.361 2.498 10 0 CEAERO C[C@@H]1CC[C@@H](NC(=O)[C@H]2CCC[NH2+]2)c2ccccc21 ZINC000262517015 344654796 /nfs/dbraw/zinc/65/47/96/344654796.db2.gz CWXUFPYYGUMPJY-KCPJHIHWSA-N 1 0 258.365 2.493 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@H](C)c2ccc(F)c(F)c2)C1 ZINC000252951499 344642274 /nfs/dbraw/zinc/64/22/74/344642274.db2.gz DYFXEHBOCRNWGV-DGCLKSJQSA-N 1 0 284.350 2.336 10 0 CEAERO CC(C)c1nsc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000252872693 344642398 /nfs/dbraw/zinc/64/23/98/344642398.db2.gz UGGHHCDTUHLLBI-GARJFASQSA-N 1 0 266.414 2.225 10 0 CEAERO CS[C@@H]1CCC[C@H](NC(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000300408821 344699817 /nfs/dbraw/zinc/69/98/17/344699817.db2.gz AZRPEEGMKFAKIH-RVMXOQNASA-N 1 0 270.442 2.152 10 0 CEAERO C[C@@H]([NH3+])C[C@H](C)Nc1cncc(Br)c1 ZINC000306248660 344712482 /nfs/dbraw/zinc/71/24/82/344712482.db2.gz HSDZMYRYKVJGAZ-SFYZADRCSA-N 1 0 258.163 2.382 10 0 CEAERO C[C@@H]([NH3+])[C@@H](C)Nc1ccc(I)cc1 ZINC000306231092 344712650 /nfs/dbraw/zinc/71/26/50/344712650.db2.gz BTEPXRRSJUDCBY-HTQZYQBOSA-N 1 0 290.148 2.439 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)Cc1coc(Br)c1 ZINC000306508271 344713929 /nfs/dbraw/zinc/71/39/29/344713929.db2.gz AIDFAFWXUOADMI-IUCAKERBSA-N 1 0 272.142 2.281 10 0 CEAERO N[C@H](CC[NH3+])c1c(Cl)cnc(Cl)c1Cl ZINC000306565058 344714728 /nfs/dbraw/zinc/71/47/28/344714728.db2.gz FGUMMPGURGQTJP-RXMQYKEDSA-N 1 0 254.548 2.390 10 0 CEAERO [NH3+][C@H]1CCCO[C@H]1c1cnn(Cc2ccccc2)c1 ZINC000306598707 344715231 /nfs/dbraw/zinc/71/52/31/344715231.db2.gz QLHNFDHMABRUDC-GJZGRUSLSA-N 1 0 257.337 2.110 10 0 CEAERO C[C@@H]1[C@H](Nc2nccnc2N)CC[N@@H+]1Cc1ccccc1 ZINC000306729225 344716789 /nfs/dbraw/zinc/71/67/89/344716789.db2.gz OHDMMADNXJBAQU-TZMCWYRMSA-N 1 0 283.379 2.134 10 0 CEAERO CN(C)c1cc(C[N@H+](C)C[C@H]2CCc3nccn3C2)ccn1 ZINC000328635907 344757099 /nfs/dbraw/zinc/75/70/99/344757099.db2.gz NULYCWXOXYSTIO-OAHLLOKOSA-N 1 0 299.422 2.039 10 0 CEAERO C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1cc(C#N)ncn1 ZINC000393747909 344840962 /nfs/dbraw/zinc/84/09/62/344840962.db2.gz LQSMAYYVOZDSQQ-ZDUSSCGKSA-N 1 0 281.363 2.281 10 0 CEAERO C[C@@H](O)[C@](C)(C[NH3+])Cc1cc(Br)cs1 ZINC000083777609 178746250 /nfs/dbraw/zinc/74/62/50/178746250.db2.gz QCUJWBRXOZZELD-XCBNKYQSSA-N 1 0 278.215 2.399 10 0 CEAERO CO[C@](C)(C[NH2+][C@@H]1CCCC[C@H]1O)c1ccccc1 ZINC000384320812 344828513 /nfs/dbraw/zinc/82/85/13/344828513.db2.gz OROHUULEUDMPCK-BZUAXINKSA-N 1 0 263.381 2.441 10 0 CEAERO COC(C)(C)CCN1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000336784332 365802612 /nfs/dbraw/zinc/80/26/12/365802612.db2.gz OZLZUHTTZAXXQF-KGLIPLIRSA-N 1 0 254.418 2.360 10 0 CEAERO CCO[C@@H](C)c1nc(C)c(CCC[NH2+]CCOC)c(C)n1 ZINC000083859895 178754715 /nfs/dbraw/zinc/75/47/15/178754715.db2.gz LUQQCSGDEAZJEX-AWEZNQCLSA-N 1 0 295.427 2.360 10 0 CEAERO C[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C[NH2+]1 ZINC000398959303 344856138 /nfs/dbraw/zinc/85/61/38/344856138.db2.gz LATHDXCRRULWDD-RKDXNWHRSA-N 1 0 253.277 2.286 10 0 CEAERO Cc1cc(C#N)ccc1C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398974431 344856249 /nfs/dbraw/zinc/85/62/49/344856249.db2.gz BYDXJEYTTLTVOR-GVDBMIGSSA-N 1 0 270.376 2.460 10 0 CEAERO C[NH2+][C@@H](C[S@](=O)c1cc(C)ccc1C)C1CC1 ZINC000083998904 178769504 /nfs/dbraw/zinc/76/95/04/178769504.db2.gz JSALVSXJBMKZHN-SUMWQHHRSA-N 1 0 251.395 2.409 10 0 CEAERO CC[NH2+][C@H](C[S@@](=O)c1ccc(OC)cc1)C1CC1 ZINC000084002614 178770183 /nfs/dbraw/zinc/77/01/83/178770183.db2.gz UGOCXNYDUIAYMN-KDOFPFPSSA-N 1 0 267.394 2.191 10 0 CEAERO CCc1ccc([C@@H](C[S@@](=O)C2CCOCC2)[NH2+]C)cc1 ZINC000084055267 178779496 /nfs/dbraw/zinc/77/94/96/178779496.db2.gz BORPEZCVUMLJHI-UZLBHIALSA-N 1 0 295.448 2.437 10 0 CEAERO COc1ccc(-c2noc([C@@](C)([NH3+])C3CC3)n2)cc1OC ZINC000084097047 178788054 /nfs/dbraw/zinc/78/80/54/178788054.db2.gz AJMMABIRSWNPEK-HNNXBMFYSA-N 1 0 289.335 2.338 10 0 CEAERO COCCOc1cc(C[C@H]([NH3+])C2(C)CC2)ccc1OC ZINC000584595183 344961104 /nfs/dbraw/zinc/96/11/04/344961104.db2.gz YUNGBMUBTQVQQL-HNNXBMFYSA-N 1 0 279.380 2.390 10 0 CEAERO COCCOc1cc(C[C@@H]([NH3+])C(C)C)ccc1F ZINC000584594952 344961238 /nfs/dbraw/zinc/96/12/38/344961238.db2.gz LNHRZXLWNPSNDX-CYBMUJFWSA-N 1 0 255.333 2.377 10 0 CEAERO CCN(CC)CC[NH2+]C[C@@H]1CCc2ccccc2N1 ZINC000584614488 344965226 /nfs/dbraw/zinc/96/52/26/344965226.db2.gz RUNHQOWNZOBOHB-HNNXBMFYSA-N 1 0 261.413 2.345 10 0 CEAERO C[C@H](Cc1c[nH]c2ccccc12)[NH2+]C[C@@](C)(F)CO ZINC000584621184 344967398 /nfs/dbraw/zinc/96/73/98/344967398.db2.gz LLBNXYIFLJLUEA-IAQYHMDHSA-N 1 0 264.344 2.409 10 0 CEAERO [NH3+][C@H]1COc2ccc(O)cc2[C@@H]1Cc1ccccc1 ZINC000584626212 344968414 /nfs/dbraw/zinc/96/84/14/344968414.db2.gz GRWMSSIDXVLXKN-ZFWWWQNUSA-N 1 0 255.317 2.438 10 0 CEAERO CCO[C@@H]1C[NH2+]C[C@@H](Oc2ccccc2)[C@H]1c1cnco1 ZINC000584651229 344973537 /nfs/dbraw/zinc/97/35/37/344973537.db2.gz DVZXOVOEAOZSPQ-FVQBIDKESA-N 1 0 288.347 2.214 10 0 CEAERO C(Cc1nnc([C@@H]2CCSC2)s1)[NH2+]C1CC1 ZINC000084121300 178797468 /nfs/dbraw/zinc/79/74/68/178797468.db2.gz YHVXSZDTHIDCRB-MRVPVSSYSA-N 1 0 255.412 2.053 10 0 CEAERO [NH3+]CCC1CCN(c2ncnc3sccc32)CC1 ZINC000053705710 362497638 /nfs/dbraw/zinc/49/76/38/362497638.db2.gz LLHDJNDCDVKSRI-UHFFFAOYSA-N 1 0 262.382 2.257 10 0 CEAERO C[NH2+][C@H](C)C(=O)N(Cc1ccc(F)cc1F)C1CC1 ZINC000054075018 362510440 /nfs/dbraw/zinc/51/04/40/362510440.db2.gz ICMYZESXOKSDOX-SECBINFHSA-N 1 0 268.307 2.064 10 0 CEAERO [NH3+]C1(CC(=O)N2CCOc3ccccc3C2)CCCCC1 ZINC000084183916 178818060 /nfs/dbraw/zinc/81/80/60/178818060.db2.gz OLUWBCVMIUUILE-UHFFFAOYSA-N 1 0 288.391 2.459 10 0 CEAERO CCN(CCc1ccccc1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054308025 362526174 /nfs/dbraw/zinc/52/61/74/362526174.db2.gz ALMLVLTYDOBRNG-INIZCTEOSA-N 1 0 274.408 2.467 10 0 CEAERO CCn1nc(C)cc1[C@H]([NH2+]C)c1ccc2c(c1)OCCO2 ZINC000097077845 185522487 /nfs/dbraw/zinc/52/24/87/185522487.db2.gz CHJPUHQFIXMOON-MRXNPFEDSA-N 1 0 287.363 2.291 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1S(=O)(=O)c1cccc(Cl)c1 ZINC000084271837 178838182 /nfs/dbraw/zinc/83/81/82/178838182.db2.gz ZIIHAWYVRVIKMY-BXKDBHETSA-N 1 0 273.785 2.241 10 0 CEAERO C[C@@H]1CC[C@H](C[NH3+])[C@H](S(=O)(=O)C2CCCC2)C1 ZINC000084272537 178838881 /nfs/dbraw/zinc/83/88/81/178838881.db2.gz WHOWNJHZYWPWPG-NQBHXWOUSA-N 1 0 259.415 2.107 10 0 CEAERO Cc1ccccc1CS(=O)(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000084272292 178838889 /nfs/dbraw/zinc/83/88/89/178838889.db2.gz CBCXPLCUSJGMCC-ZFWWWQNUSA-N 1 0 281.421 2.427 10 0 CEAERO CC[C@H]1CC[C@@H](C[NH3+])[C@H](S(=O)(=O)CC(C)C)C1 ZINC000084269417 178835693 /nfs/dbraw/zinc/83/56/93/178835693.db2.gz UETZESRRAYDILJ-RWMBFGLXSA-N 1 0 261.431 2.211 10 0 CEAERO CCc1nn(C)c(CC[C@H](C)[NH3+])c1Br ZINC000084281433 178843214 /nfs/dbraw/zinc/84/32/14/178843214.db2.gz WHYOPMQMYMVVSG-ZETCQYMHSA-N 1 0 260.179 2.025 10 0 CEAERO CC(C)(C)[C@H](O)C[NH2+]CCSCC(F)(F)F ZINC000591757512 345277935 /nfs/dbraw/zinc/27/79/35/345277935.db2.gz ZQSVONRPAKSJLV-MRVPVSSYSA-N 1 0 259.337 2.279 10 0 CEAERO CCn1nc(C)c(Br)c1C[C@H](C)[NH2+]C ZINC000084279408 178841775 /nfs/dbraw/zinc/84/17/75/178841775.db2.gz QZCAZCZYHBCANQ-ZETCQYMHSA-N 1 0 260.179 2.124 10 0 CEAERO CCc1nn(C)c(CC(C)(C)C[NH3+])c1Br ZINC000084296851 178848383 /nfs/dbraw/zinc/84/83/83/178848383.db2.gz NAGZBFVQOHMHMV-UHFFFAOYSA-N 1 0 274.206 2.272 10 0 CEAERO C[NH2+][C@H](C[C@H]1CCS(=O)(=O)C1)c1ccc(F)c(C)c1 ZINC000097121532 185540397 /nfs/dbraw/zinc/54/03/97/185540397.db2.gz KRVQJZYRMXDFHL-BXUZGUMPSA-N 1 0 285.384 2.219 10 0 CEAERO Cc1nn([C@H](C)C[C@@](C)([NH2+]C(C)C)C(N)=O)cc1Cl ZINC000084365314 178874159 /nfs/dbraw/zinc/87/41/59/178874159.db2.gz WENFLTZMODLQNV-NOZJJQNGSA-N 1 0 286.807 2.038 10 0 CEAERO Cc1ccccc1CS(=O)(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000084430364 178885849 /nfs/dbraw/zinc/88/58/49/178885849.db2.gz JYDVXYHFGSPFHW-UONOGXRCSA-N 1 0 267.394 2.180 10 0 CEAERO C[NH2+][C@@H]1CCC[C@@H](S(=O)(=O)Cc2ccccc2C)C1 ZINC000084430378 178886022 /nfs/dbraw/zinc/88/60/22/178886022.db2.gz BKAAUUAGNAMFII-HUUCEWRRSA-N 1 0 281.421 2.440 10 0 CEAERO CC[NH2+][C@@H]1CCC[C@@H](Sc2n[nH]c(=O)n2C(C)C)C1 ZINC000084431945 178886520 /nfs/dbraw/zinc/88/65/20/178886520.db2.gz VOWSMHUMNWZRLM-GHMZBOCLSA-N 1 0 284.429 2.165 10 0 CEAERO CCC[NH2+][C@H]1CC[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000084432915 178886948 /nfs/dbraw/zinc/88/69/48/178886948.db2.gz FETRYXXOXGDYCC-JSGCOSHPSA-N 1 0 267.394 2.381 10 0 CEAERO CCC[NH2+][C@H](c1snnc1C)C1CCOCC1 ZINC000097180890 185556937 /nfs/dbraw/zinc/55/69/37/185556937.db2.gz NBDKSYIPCCCDTF-NSHDSACASA-N 1 0 255.387 2.314 10 0 CEAERO CCS(=O)(=O)CCC[C@@H](CCc1ccco1)[NH2+]C ZINC000097217776 185566299 /nfs/dbraw/zinc/56/62/99/185566299.db2.gz PYOLMABUJNATEA-LBPRGKRZSA-N 1 0 273.398 2.015 10 0 CEAERO Cn1ncnc1C[C@@H]([NH3+])Cc1cccc2ccccc21 ZINC000097275215 185575291 /nfs/dbraw/zinc/57/52/91/185575291.db2.gz SCYQFOSSVKCEII-AWEZNQCLSA-N 1 0 266.348 2.081 10 0 CEAERO CCCn1ncnc1C[C@H]([NH3+])[C@H]1Cc2ccccc2S1 ZINC000097281760 185579148 /nfs/dbraw/zinc/57/91/48/185579148.db2.gz FKRCGDBCHBQLJZ-GXTWGEPZSA-N 1 0 288.420 2.275 10 0 CEAERO CC[NH2+][C@@H](Cc1ccccn1)c1cc(CC)nn1C ZINC000097272939 185575883 /nfs/dbraw/zinc/57/58/83/185575883.db2.gz XORZVKRFEXKYKI-AWEZNQCLSA-N 1 0 258.369 2.271 10 0 CEAERO CO[C@H](C)CC[C@@H]([NH3+])Cc1c(Cl)c(C)nn1C ZINC000097273988 185576154 /nfs/dbraw/zinc/57/61/54/185576154.db2.gz AJNCRPLDFDGMQX-PSASIEDQSA-N 1 0 259.781 2.067 10 0 CEAERO CCc1cc(C[C@H]([NH3+])C[C@@H](C)COC)n(CC)n1 ZINC000097279728 185577905 /nfs/dbraw/zinc/57/79/05/185577905.db2.gz CFYHIJFKFPVKAN-VXGBXAGGSA-N 1 0 253.390 2.008 10 0 CEAERO CCC[NH2+][C@@H](Cc1ncnn1CCC)[C@H]1CCSC1 ZINC000097281984 185578907 /nfs/dbraw/zinc/57/89/07/185578907.db2.gz SUMKWPMXYKHDLX-STQMWFEESA-N 1 0 282.457 2.352 10 0 CEAERO CSCC[C@H]([NH3+])[C@H]1CCOC2(CCOCC2)C1 ZINC000097311023 185583457 /nfs/dbraw/zinc/58/34/57/185583457.db2.gz UXDZRJVEHLNGCR-RYUDHWBXSA-N 1 0 259.415 2.043 10 0 CEAERO Cc1cc(C(C)C)nc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000229930776 539490995 /nfs/dbraw/zinc/49/09/95/539490995.db2.gz HPHUEAWAHBAYJS-BFHYXJOUSA-N 1 0 274.412 2.472 10 0 CEAERO Cc1csc(C[C@H]([NH3+])CCc2c(C)nn(C)c2C)n1 ZINC000097342349 185587440 /nfs/dbraw/zinc/58/74/40/185587440.db2.gz SPNDMXMYWFPRGY-GFCCVEGCSA-N 1 0 278.425 2.304 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)c2c[nH+]ccc2N)cc1 ZINC000127506381 187311962 /nfs/dbraw/zinc/31/19/62/187311962.db2.gz OXWNMONKGODYFU-NSHDSACASA-N 1 0 255.321 2.463 10 0 CEAERO CCC[NH2+][C@H](c1cnnn1CCC)[C@H]1CCSC1 ZINC000097418786 185600531 /nfs/dbraw/zinc/60/05/31/185600531.db2.gz GHHHJOHJNCNOFY-AAEUAGOBSA-N 1 0 268.430 2.482 10 0 CEAERO Cn1nncc1[C@H]([NH3+])C1CCC(C(F)(F)F)CC1 ZINC000097424171 185600847 /nfs/dbraw/zinc/60/08/47/185600847.db2.gz UNUMWKHTEVRPMN-SFVIPPHHSA-N 1 0 262.279 2.184 10 0 CEAERO COC(=O)C[C@@H](C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000097430512 185601157 /nfs/dbraw/zinc/60/11/57/185601157.db2.gz KGILDASIBHISGD-VIFPVBQESA-N 1 0 261.243 2.311 10 0 CEAERO COC(=O)C[C@@](C)(c1ccc(F)cc1F)[C@H](C)[NH3+] ZINC000097430796 185601716 /nfs/dbraw/zinc/60/17/16/185601716.db2.gz JMOFMQJJKPVXRW-ISVAXAHUSA-N 1 0 257.280 2.133 10 0 CEAERO CCOc1cc2c(cc1[C@@H](C[NH3+])CC(=O)OC)O[C@@H](C)C2 ZINC000097430435 185601746 /nfs/dbraw/zinc/60/17/46/185601746.db2.gz RUSRQQYPQLDLNM-CMPLNLGQSA-N 1 0 293.363 2.014 10 0 CEAERO CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1C(F)(F)F ZINC000085133201 178954625 /nfs/dbraw/zinc/95/46/25/178954625.db2.gz MDLWZSZUOLBGAH-UTLUCORTSA-N 1 0 266.307 2.222 10 0 CEAERO CC(C)C(=O)NCC[NH2+][C@@H]1CCCC[C@H]1C(F)(F)F ZINC000085132849 178954893 /nfs/dbraw/zinc/95/48/93/178954893.db2.gz LHBHTKFMGUAJPJ-GHMZBOCLSA-N 1 0 280.334 2.469 10 0 CEAERO C[NH2+][C@H](C)[C@H]1CCCCN1Cc1ccn(C(C)C)n1 ZINC000085160601 178959965 /nfs/dbraw/zinc/95/99/65/178959965.db2.gz OTVBZDVBYKZWIP-UKRRQHHQSA-N 1 0 264.417 2.426 10 0 CEAERO CCOC(=O)c1ccc(N2C[C@H](CC)[NH2+]C[C@@H]2CC)nc1 ZINC000086466501 136512736 /nfs/dbraw/zinc/51/27/36/136512736.db2.gz NNSVBBSVCAIUCN-KBPBESRZSA-N 1 0 291.395 2.225 10 0 CEAERO NN[C@H](Cc1c[nH+]ccc1N)c1cc2ccccc2o1 ZINC000097531339 185623029 /nfs/dbraw/zinc/62/30/29/185623029.db2.gz PRHJKIPWTKFVCX-CYBMUJFWSA-N 1 0 268.320 2.157 10 0 CEAERO CC(C)C[C@@H](C[NH3+])C(=O)N1CCOc2ccccc21 ZINC000094699563 136514605 /nfs/dbraw/zinc/51/46/05/136514605.db2.gz ROWHRMGHOKOXRT-LBPRGKRZSA-N 1 0 262.353 2.033 10 0 CEAERO CC[NH2+][C@H](CO)CCN(C)c1ccc(C)cc1C ZINC000085215139 178979554 /nfs/dbraw/zinc/97/95/54/178979554.db2.gz HKGSPJBTUCPHHC-AWEZNQCLSA-N 1 0 250.386 2.100 10 0 CEAERO CC[NH2+][C@](C)(CO)C[C@@H](C)n1cc(C(F)(F)F)cn1 ZINC000085262904 178992913 /nfs/dbraw/zinc/99/29/13/178992913.db2.gz QAXDTAKCYFWENZ-KOLCDFICSA-N 1 0 279.306 2.214 10 0 CEAERO Cc1nc(C[C@@H](NN)C2([NH+](C)C)CCC(C)CC2)cs1 ZINC000097590056 185633950 /nfs/dbraw/zinc/63/39/50/185633950.db2.gz BVBFUKHBGRPPGF-XGTXGMFGSA-N 1 0 296.484 2.336 10 0 CEAERO CC[NH2+][C@@](C)(CO)C[C@@H](C)Oc1ccc(F)cc1 ZINC000085285106 179002543 /nfs/dbraw/zinc/00/25/43/179002543.db2.gz IZSYEYUSCYWELJ-BXUZGUMPSA-N 1 0 255.333 2.344 10 0 CEAERO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1Cc1ccc(Br)o1 ZINC000085284372 179002401 /nfs/dbraw/zinc/00/24/01/179002401.db2.gz SNYOEERNCQSIKK-FXPVBKGRSA-N 1 0 285.185 2.082 10 0 CEAERO CCCOc1ccccc1OCC[C@@](C)(CO)[NH2+]C ZINC000085269851 178998101 /nfs/dbraw/zinc/99/81/01/178998101.db2.gz PRESTLPEQYYSEO-HNNXBMFYSA-N 1 0 267.369 2.215 10 0 CEAERO Cc1cc(C)cc(OC[C@](C)(CO)[NH2+]C(C)C)c1 ZINC000085284781 179002736 /nfs/dbraw/zinc/00/27/36/179002736.db2.gz SVKSZQNAYYTGIW-HNNXBMFYSA-N 1 0 251.370 2.431 10 0 CEAERO CC[NH2+][C@](CO)(COc1cccc(CC)c1)C1CC1 ZINC000085270311 178998576 /nfs/dbraw/zinc/99/85/76/178998576.db2.gz GHJVBOGRKIWVPG-MRXNPFEDSA-N 1 0 263.381 2.378 10 0 CEAERO CCC[NH2+][C@](C)(CO)COc1cc(C)ccc1C ZINC000085284617 179002758 /nfs/dbraw/zinc/00/27/58/179002758.db2.gz PYFYXPNLQDGVAU-OAHLLOKOSA-N 1 0 251.370 2.433 10 0 CEAERO CC[NH2+][C@](C)(CO)CCOc1ccc(C)cc1OC ZINC000085286028 179003557 /nfs/dbraw/zinc/00/35/57/179003557.db2.gz KMCSEIPVHSFMRR-HNNXBMFYSA-N 1 0 267.369 2.133 10 0 CEAERO CC[NH2+][C@@](C)(CO)COc1cc(C)cc(C)c1C ZINC000085286083 179004261 /nfs/dbraw/zinc/00/42/61/179004261.db2.gz FSBKEFKLPUXBQS-HNNXBMFYSA-N 1 0 251.370 2.351 10 0 CEAERO Cc1ccnc(S[C@@H](C)C[C@@](C)(CO)[NH2+]C(C)C)n1 ZINC000085287838 179004838 /nfs/dbraw/zinc/00/48/38/179004838.db2.gz INIIXQCBTINPOD-JSGCOSHPSA-N 1 0 283.441 2.405 10 0 CEAERO CCC[NH2+][C@](C)(CO)C[C@H](C)Sc1cc(C)nn1C ZINC000085289561 179005796 /nfs/dbraw/zinc/00/57/96/179005796.db2.gz LQKWSRQPUHPIFK-JSGCOSHPSA-N 1 0 285.457 2.350 10 0 CEAERO Cc1cc(S[C@H](C)C[C@@](C)(CO)[NH2+]C2CC2)n(C)n1 ZINC000085289502 179006086 /nfs/dbraw/zinc/00/60/86/179006086.db2.gz LPFHWMMPHPKRAZ-RISCZKNCSA-N 1 0 283.441 2.102 10 0 CEAERO CCC[NH2+][C@@](C)(CO)CCCSCCCOC ZINC000085289993 179006162 /nfs/dbraw/zinc/00/61/62/179006162.db2.gz KTYLOLDTVYWNEP-CYBMUJFWSA-N 1 0 263.447 2.287 10 0 CEAERO COc1ccc(SC[C@](C)(CO)[NH2+]C2CC2)cc1 ZINC000085291932 179007180 /nfs/dbraw/zinc/00/71/80/179007180.db2.gz HVUPNAJCXYAPFK-AWEZNQCLSA-N 1 0 267.394 2.290 10 0 CEAERO CC(C)[NH2+][C@@H](CO)CSc1nc2ccccc2[nH]1 ZINC000085291682 179007450 /nfs/dbraw/zinc/00/74/50/179007450.db2.gz XXOPXEFSXATLRK-JTQLQIEISA-N 1 0 265.382 2.014 10 0 CEAERO CC[NH2+][C@](C)(CO)CCCSc1ccccn1 ZINC000085292072 179007771 /nfs/dbraw/zinc/00/77/71/179007771.db2.gz KJGPMQXLPLXDLB-ZDUSSCGKSA-N 1 0 254.399 2.314 10 0 CEAERO Cc1cnc(SC[C@@](CO)([NH2+]C(C)C)C2CC2)nc1 ZINC000085297753 179009018 /nfs/dbraw/zinc/00/90/18/179009018.db2.gz FMISVLNSUATZOV-CQSZACIVSA-N 1 0 281.425 2.016 10 0 CEAERO COc1ccccc1S[C@H](C)C[C@@](C)([NH3+])CO ZINC000085297523 179009082 /nfs/dbraw/zinc/00/90/82/179009082.db2.gz KXTNQAMKYHSCJJ-ZWNOBZJWSA-N 1 0 255.383 2.276 10 0 CEAERO Cc1cnc(S[C@H](C)C[C@](C)(CO)[NH2+]C2CC2)nc1 ZINC000085297783 179009177 /nfs/dbraw/zinc/00/91/77/179009177.db2.gz QBNPCSVMBGRLSQ-BXUZGUMPSA-N 1 0 281.425 2.159 10 0 CEAERO C[NH2+][C@@](CO)(CSc1ccccc1OC)C1CC1 ZINC000085297592 179009215 /nfs/dbraw/zinc/00/92/15/179009215.db2.gz YPYRKQILWYKVPA-AWEZNQCLSA-N 1 0 267.394 2.148 10 0 CEAERO C[C@@](O)(C[NH3+])CCCn1cc(-c2ccccc2)cn1 ZINC000085304483 179011146 /nfs/dbraw/zinc/01/11/46/179011146.db2.gz XTLGQMDXJBYRJP-HNNXBMFYSA-N 1 0 259.353 2.040 10 0 CEAERO CN(C)c1cccc(OCCCC[C@@](C)(O)C[NH3+])c1 ZINC000085305376 179011786 /nfs/dbraw/zinc/01/17/86/179011786.db2.gz CWXKCOYMYBOWOU-OAHLLOKOSA-N 1 0 266.385 2.011 10 0 CEAERO CCc1nn(C)c(CS[C@@H](C)C[NH3+])c1Br ZINC000085306575 179012405 /nfs/dbraw/zinc/01/24/05/179012405.db2.gz AKLISPKWPHJHJW-ZETCQYMHSA-N 1 0 292.246 2.325 10 0 CEAERO C[C@H](C[C@](C)(O)C[NH3+])Oc1cccc2cccnc21 ZINC000085306278 179012452 /nfs/dbraw/zinc/01/24/52/179012452.db2.gz WDJSFHUYMOCYSF-ABAIWWIYSA-N 1 0 260.337 2.102 10 0 CEAERO [NH3+]C[C@@H](O)CCOc1ccccc1-c1ccccc1 ZINC000085306427 179012507 /nfs/dbraw/zinc/01/25/07/179012507.db2.gz QFUMQDIXKMUYAI-AWEZNQCLSA-N 1 0 257.333 2.442 10 0 CEAERO C[C@@](O)(C[NH3+])CCCSc1ncnc2ccccc21 ZINC000085320446 179013960 /nfs/dbraw/zinc/01/39/60/179013960.db2.gz RDPMWHOEQQILPY-AWEZNQCLSA-N 1 0 277.393 2.212 10 0 CEAERO CCc1nn(C)c(CSCCC[NH3+])c1Br ZINC000085315843 179014047 /nfs/dbraw/zinc/01/40/47/179014047.db2.gz NVDAHEYOHOCKCM-UHFFFAOYSA-N 1 0 292.246 2.327 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)N(Cc1ccccc1)C1CC1 ZINC000085358760 179031278 /nfs/dbraw/zinc/03/12/78/179031278.db2.gz BTTCQJFFXYMHSQ-HUUCEWRRSA-N 1 0 258.365 2.305 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1cc(F)c(F)cc1F ZINC000061094383 362675853 /nfs/dbraw/zinc/67/58/53/362675853.db2.gz LMVDFEIHLLBBID-QMMMGPOBSA-N 1 0 272.270 2.432 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000085359450 179032011 /nfs/dbraw/zinc/03/20/11/179032011.db2.gz ADXGZBPLUUUNMN-OLZOCXBDSA-N 1 0 287.363 2.027 10 0 CEAERO CCC(=O)Nc1ccc(C)c(NC(=O)[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000085360300 179032405 /nfs/dbraw/zinc/03/24/05/179032405.db2.gz XTRXMXFGWJMOLG-STQMWFEESA-N 1 0 289.379 2.409 10 0 CEAERO COCc1cccc(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000085359804 179032493 /nfs/dbraw/zinc/03/24/93/179032493.db2.gz XKCPZKABUYCMQD-ZIAGYGMSSA-N 1 0 262.353 2.289 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])o1 ZINC000085361022 179032904 /nfs/dbraw/zinc/03/29/04/179032904.db2.gz PWKMXZKBOHFRSK-TUAOUCFPSA-N 1 0 250.342 2.283 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)Nc1ccc2c[nH]nc2c1 ZINC000085363690 179034501 /nfs/dbraw/zinc/03/45/01/179034501.db2.gz ZNCNEKCVFIPWAM-NWDGAFQWSA-N 1 0 258.325 2.019 10 0 CEAERO Cc1ccc(NC(=O)[C@H]2CCCC[C@H]2[NH3+])c(C)c1O ZINC000085363552 179034532 /nfs/dbraw/zinc/03/45/32/179034532.db2.gz DYNBTBKYICOLMT-NWDGAFQWSA-N 1 0 262.353 2.465 10 0 CEAERO CN(C)c1ccccc1NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085363454 179034760 /nfs/dbraw/zinc/03/47/60/179034760.db2.gz HEAHQDNWEWPAMD-NEPJUHHUSA-N 1 0 261.369 2.209 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000085363167 179034891 /nfs/dbraw/zinc/03/48/91/179034891.db2.gz PXNJXVSUPVODHP-KBPBESRZSA-N 1 0 282.347 2.210 10 0 CEAERO CCN(C(=O)[C@@H]1CCC[C@@H]1[NH3+])[C@H](C)c1cccc(O)c1 ZINC000085369521 179039165 /nfs/dbraw/zinc/03/91/65/179039165.db2.gz UOMWDWPMKNCYBZ-DFBGVHRSSA-N 1 0 276.380 2.429 10 0 CEAERO CCOC(=O)c1ccccc1NC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085371209 179041372 /nfs/dbraw/zinc/04/13/72/179041372.db2.gz SWEDCBJFGQJFAY-DGCLKSJQSA-N 1 0 290.363 2.319 10 0 CEAERO CCc1nc(NC(=O)[C@H]2CCCC[C@H]2[NH3+])sc1C ZINC000085372492 179042384 /nfs/dbraw/zinc/04/23/84/179042384.db2.gz ZZQROFRCVWEDER-VHSXEESVSA-N 1 0 267.398 2.470 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)Nc1nc(C2CC2)cs1 ZINC000085372576 179042406 /nfs/dbraw/zinc/04/24/06/179042406.db2.gz PVTONEJVHPUHHP-BDAKNGLRSA-N 1 0 251.355 2.086 10 0 CEAERO COc1cc(F)ccc1NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085372749 179042433 /nfs/dbraw/zinc/04/24/33/179042433.db2.gz NMOWIJCVXMOFGL-QWRGUYRKSA-N 1 0 266.316 2.290 10 0 CEAERO CC1CCC(CCNC(=O)[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000085375964 179044038 /nfs/dbraw/zinc/04/40/38/179044038.db2.gz IRVMWOPDOHPSOO-NWINJMCUSA-N 1 0 252.402 2.446 10 0 CEAERO CN(C)c1ccc(NC(=O)[C@H]2CCC[C@H]2[NH3+])cc1Cl ZINC000085366139 179036496 /nfs/dbraw/zinc/03/64/96/179036496.db2.gz FQKUZIQGXVZIBJ-CMPLNLGQSA-N 1 0 281.787 2.472 10 0 CEAERO C[C@@H](Cc1c(F)cccc1F)NC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085365791 179036506 /nfs/dbraw/zinc/03/65/06/179036506.db2.gz QUTPSQFDHVQERX-BHDSKKPTSA-N 1 0 282.334 2.139 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1ccc2nccnc2c1 ZINC000085365625 179036648 /nfs/dbraw/zinc/03/66/48/179036648.db2.gz STZIUYLHCMHCOA-RYUDHWBXSA-N 1 0 270.336 2.086 10 0 CEAERO CCOC(=O)CCC[NH2+][C@@H]1C[C@@H](OCC)C1(C)C ZINC000085398807 179051237 /nfs/dbraw/zinc/05/12/37/179051237.db2.gz KARONMNIARLCTB-VXGBXAGGSA-N 1 0 257.374 2.123 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1cccc2ncccc21 ZINC000061883734 362695035 /nfs/dbraw/zinc/69/50/35/362695035.db2.gz YDLDQZVNIIDGBR-BXUZGUMPSA-N 1 0 269.348 2.092 10 0 CEAERO CC(C)CO[C@@H]1C[C@@H]([NH2+]CCCc2nnc[nH]2)C1(C)C ZINC000085402213 179052700 /nfs/dbraw/zinc/05/27/00/179052700.db2.gz YTCYYHCFOWCZDH-CHWSQXEVSA-N 1 0 280.416 2.167 10 0 CEAERO C[NH2+]CCc1ccc(Cn2cc(Br)cn2)cc1 ZINC000097807449 185670602 /nfs/dbraw/zinc/67/06/02/185670602.db2.gz VIKYMOFNGLDOJB-UHFFFAOYSA-N 1 0 294.196 2.456 10 0 CEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NOCc1ccccc1 ZINC000061944892 362699553 /nfs/dbraw/zinc/69/95/53/362699553.db2.gz YQLCXHSIJRIZHN-ZDUSSCGKSA-N 1 0 279.384 2.148 10 0 CEAERO Cc1ccc(F)cc1CC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000097852021 185673407 /nfs/dbraw/zinc/67/34/07/185673407.db2.gz JVJULPUAPIRUQH-GDBMZVCRSA-N 1 0 277.339 2.109 10 0 CEAERO CC[C@@H](C)n1ccc(CN2CC[NH2+][C@H](C(C)C)C2)n1 ZINC000085434775 179060956 /nfs/dbraw/zinc/06/09/56/179060956.db2.gz KYMADXVHIWJAID-HIFRSBDPSA-N 1 0 264.417 2.284 10 0 CEAERO C[C@H]([NH2+]C[C@H]1CCC(=O)N1)c1cnc2ccsc2c1 ZINC000085434164 179061404 /nfs/dbraw/zinc/06/14/04/179061404.db2.gz KTGAUKRDHDGKHR-GXSJLCMTSA-N 1 0 275.377 2.226 10 0 CEAERO CCC1(CC)C[N@@H+]([C@@H]2CCC[C@H](OC)C2)CCN1 ZINC000085435297 179062056 /nfs/dbraw/zinc/06/20/56/179062056.db2.gz ITBNZBWDAXAOTP-KGLIPLIRSA-N 1 0 254.418 2.408 10 0 CEAERO CC[C@@]1(C)CN(CCCOCC(F)(F)F)CC[NH2+]1 ZINC000085435212 179062109 /nfs/dbraw/zinc/06/21/09/179062109.db2.gz XWPUREFZHBRQSM-NSHDSACASA-N 1 0 268.323 2.029 10 0 CEAERO Cc1ccc(-c2ccc(N3CC[C@@H]([NH3+])C3)nn2)cc1C ZINC000062202247 362714526 /nfs/dbraw/zinc/71/45/26/362714526.db2.gz RFQVTEGOIKXOND-CQSZACIVSA-N 1 0 268.364 2.298 10 0 CEAERO CC(C)[C@H](C[NH+](C)C)Nc1ncncc1Br ZINC000085465485 179071106 /nfs/dbraw/zinc/07/11/06/179071106.db2.gz CVFBSZUOZLCOBH-JTQLQIEISA-N 1 0 287.205 2.237 10 0 CEAERO CCOCCN1C[C@H](C(C)C)[NH2+]C[C@@H]1C(C)(C)C ZINC000085467215 179072598 /nfs/dbraw/zinc/07/25/98/179072598.db2.gz XVOARMYUPBMKJY-ZIAGYGMSSA-N 1 0 256.434 2.367 10 0 CEAERO Brc1cncnc1OCC[C@H]1CCC[NH2+]C1 ZINC000085467965 179073237 /nfs/dbraw/zinc/07/32/37/179073237.db2.gz KHNFIBFIUBZQEF-SECBINFHSA-N 1 0 286.173 2.008 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1Oc1ncncc1Br ZINC000085468069 179073246 /nfs/dbraw/zinc/07/32/46/179073246.db2.gz JDWUWLCCUVRNQJ-WCBMZHEXSA-N 1 0 286.173 2.135 10 0 CEAERO CC[C@H](C)[C@H]1CN(CCOCCC(C)C)CC[NH2+]1 ZINC000085449664 179064910 /nfs/dbraw/zinc/06/49/10/179064910.db2.gz SGIPRCBBLODRCU-LSDHHAIUSA-N 1 0 256.434 2.369 10 0 CEAERO CCC[C@H]1C[NH2+][C@H](C(C)C)CN1C[C@@H]1CCCO1 ZINC000085450764 179065055 /nfs/dbraw/zinc/06/50/55/179065055.db2.gz BUCCOMIDNAFLDD-KKUMJFAQSA-N 1 0 254.418 2.264 10 0 CEAERO CCC[C@@H]1C[NH2+][C@H](C(C)C)CN1Cc1ncccn1 ZINC000085450724 179065127 /nfs/dbraw/zinc/06/51/27/179065127.db2.gz ABYQFPKZQXPQSI-KGLIPLIRSA-N 1 0 262.401 2.075 10 0 CEAERO c1ccc(OCCCN2CC[NH2+]C[C@H]2C2CC2)cc1 ZINC000085451340 179065437 /nfs/dbraw/zinc/06/54/37/179065437.db2.gz DXTYZTSWHUOLKN-INIZCTEOSA-N 1 0 260.381 2.139 10 0 CEAERO CC[C@@H](C)[C@@H]1CNCC[N@@H+]1[C@@H]1CCC[C@H](OC)C1 ZINC000085452852 179066385 /nfs/dbraw/zinc/06/63/85/179066385.db2.gz FYHXTIZHVFSARF-KBXIAJHMSA-N 1 0 254.418 2.264 10 0 CEAERO CC(C)C[C@H]1C[NH2+]CCN1Cc1ccn(C(C)C)n1 ZINC000085453077 179067088 /nfs/dbraw/zinc/06/70/88/179067088.db2.gz AKOORMKKTDYDEM-HNNXBMFYSA-N 1 0 264.417 2.284 10 0 CEAERO CCC1(CC)CN[C@@H](C)C[N@@H+]1CC1CCOCC1 ZINC000085454345 179067397 /nfs/dbraw/zinc/06/73/97/179067397.db2.gz DXNYUQXNKSCSGX-ZDUSSCGKSA-N 1 0 254.418 2.266 10 0 CEAERO CCC[C@@H]1CN(CC(F)(F)F)[C@H](C2CC2)C[NH2+]1 ZINC000085455332 179067652 /nfs/dbraw/zinc/06/76/52/179067652.db2.gz BVDKFZPBLDZSGY-MNOVXSKESA-N 1 0 250.308 2.401 10 0 CEAERO C[C@H]1C[N@H+](C[C@@H]2CCOC2)[C@H](C2CCCCC2)CN1 ZINC000085454599 179067893 /nfs/dbraw/zinc/06/78/93/179067893.db2.gz VZEQTLUETCYIFH-DZKIICNBSA-N 1 0 266.429 2.266 10 0 CEAERO CC(C)C[C@@H]1CN[C@@H](C)C[N@@H+]1CC1CCOCC1 ZINC000085454865 179068072 /nfs/dbraw/zinc/06/80/72/179068072.db2.gz ZPBXSYZKJQAJLZ-DZGCQCFKSA-N 1 0 254.418 2.121 10 0 CEAERO CCC[C@H]1CN(Cc2ncccn2)[C@@H](CCC)C[NH2+]1 ZINC000085455099 179068147 /nfs/dbraw/zinc/06/81/47/179068147.db2.gz HQIZRTRHBWSHFB-KBPBESRZSA-N 1 0 262.401 2.219 10 0 CEAERO COc1c(C)cc(CC[NH2+]C[C@H](C)O)c(C)c1C ZINC000098128934 185689784 /nfs/dbraw/zinc/68/97/84/185689784.db2.gz MHLBDJAMPARODD-NSHDSACASA-N 1 0 251.370 2.133 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1Cc1ncccn1 ZINC000085475526 179078729 /nfs/dbraw/zinc/07/87/29/179078729.db2.gz NUGPIYDIVIYXID-QWHCGFSZSA-N 1 0 262.401 2.075 10 0 CEAERO CC(C)C[C@@H]1C[N@H+](C[C@@H]2CCOC2)C(C)(C)CN1 ZINC000085488525 179081294 /nfs/dbraw/zinc/08/12/94/179081294.db2.gz MCDYCIFNDHGBJL-UONOGXRCSA-N 1 0 254.418 2.121 10 0 CEAERO COCC[N@@H+]1CC2(CCCCC2)NC[C@@]1(C)C1CC1 ZINC000085504173 179084870 /nfs/dbraw/zinc/08/48/70/179084870.db2.gz OLAAOAHHYZPTHF-HNNXBMFYSA-N 1 0 266.429 2.410 10 0 CEAERO CC[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1C[C@@H]1CCCCO1 ZINC000085510536 179085288 /nfs/dbraw/zinc/08/52/88/179085288.db2.gz CGOZZXRVKLYPFF-OWCLPIDISA-N 1 0 266.429 2.408 10 0 CEAERO CCC[C@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1ncccn1 ZINC000085511399 179085295 /nfs/dbraw/zinc/08/52/95/179085295.db2.gz RYKNOVWUQYIVDS-GOEBONIOSA-N 1 0 274.412 2.219 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)c2nc(Cl)ccc2Cl)C1 ZINC000062969314 362737252 /nfs/dbraw/zinc/73/72/52/362737252.db2.gz QDEXQXCQGLMHJV-QMMMGPOBSA-N 1 0 288.178 2.165 10 0 CEAERO CC[C@]1(C)CN[C@@H](c2ccccc2)C[N@@H+]1CCOC ZINC000085508026 179085380 /nfs/dbraw/zinc/08/53/80/179085380.db2.gz XPPCEAYEPWXOGI-HZPDHXFCSA-N 1 0 262.397 2.448 10 0 CEAERO CC[C@H]1C[NH2+][C@@](C)(C2CC2)CN1CCn1ccnc1C ZINC000085510332 179085909 /nfs/dbraw/zinc/08/59/09/179085909.db2.gz LSTCYUHNPPGNTL-JKSUJKDBSA-N 1 0 276.428 2.044 10 0 CEAERO CC1(C)CN[C@](C)(C2CC2)C[N@@H+]1CCCn1ccnc1 ZINC000085514364 179086944 /nfs/dbraw/zinc/08/69/44/179086944.db2.gz MBKZBYOJFKJXCT-INIZCTEOSA-N 1 0 276.428 2.126 10 0 CEAERO CCC1(CC)CN(CCn2ccnc2C)[C@H](C)C[NH2+]1 ZINC000085516789 179087582 /nfs/dbraw/zinc/08/75/82/179087582.db2.gz UKDYELHQVDKGNR-CYBMUJFWSA-N 1 0 264.417 2.044 10 0 CEAERO CCC1(CC)C[N@H+](C[C@@H]2CCOC2)[C@H](C2CC2)CN1 ZINC000085519256 179087923 /nfs/dbraw/zinc/08/79/23/179087923.db2.gz HEYLWOVLMXKPFD-ZFWWWQNUSA-N 1 0 266.429 2.266 10 0 CEAERO CCC1(CC)CN(Cc2ncccn2)[C@@H](C(C)C)C[NH2+]1 ZINC000085518052 179088188 /nfs/dbraw/zinc/08/81/88/179088188.db2.gz PNGQSPVNLHYPJH-CQSZACIVSA-N 1 0 276.428 2.465 10 0 CEAERO COc1c(C)cnc(CN2C[C@H](C3CC3)[NH2+]C[C@@H]2C)c1C ZINC000085521076 179088207 /nfs/dbraw/zinc/08/82/07/179088207.db2.gz GQVLHSZKBHAXLV-BLLLJJGKSA-N 1 0 289.423 2.279 10 0 CEAERO CCC[C@@H]1CN[C@@](C)(CC)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085495201 179082422 /nfs/dbraw/zinc/08/24/22/179082422.db2.gz ISGVXKSWAMNDFI-ZNMIVQPWSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@@]1(C)C[N@H+](CC2CCOCC2)[C@H](C2CC2)CN1 ZINC000085495967 179082522 /nfs/dbraw/zinc/08/25/22/179082522.db2.gz YDZOCTBESMQBKR-HOTGVXAUSA-N 1 0 266.429 2.266 10 0 CEAERO CC[C@@H]1C[NH2+]C2(CCCC2)CN1C[C@@H]1CCCO1 ZINC000085497778 179083513 /nfs/dbraw/zinc/08/35/13/179083513.db2.gz GYHRFFMKXKWOHL-KGLIPLIRSA-N 1 0 252.402 2.162 10 0 CEAERO CC[NH2+]C[C@](C)(O)COc1ccccc1Br ZINC000085501379 179084024 /nfs/dbraw/zinc/08/40/24/179084024.db2.gz BBGCJAJUEPDHIZ-LBPRGKRZSA-N 1 0 288.185 2.188 10 0 CEAERO CC[C@H](C)[C@@H]1CN[C@H](C2CC2)C[N@@H+]1CCCOC ZINC000085524873 179089204 /nfs/dbraw/zinc/08/92/04/179089204.db2.gz IWQYWSNRPZVIJM-QEJZJMRPSA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@@H](C)[C@H]1CN[C@H](C2CC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085525376 179089366 /nfs/dbraw/zinc/08/93/66/179089366.db2.gz UFEDGZYRRFPVNJ-BFJAYTPKSA-N 1 0 266.429 2.121 10 0 CEAERO COc1cccc(CN2C[C@@H](C3CC3)[NH2+]CC2(C)C)n1 ZINC000085527874 179090330 /nfs/dbraw/zinc/09/03/30/179090330.db2.gz YYFVDSUCRUVWPT-AWEZNQCLSA-N 1 0 275.396 2.053 10 0 CEAERO C[C@@H]1C[NH2+][C@H](C2CCCCC2)CN1CCn1cccn1 ZINC000085529732 179091472 /nfs/dbraw/zinc/09/14/72/179091472.db2.gz ZJMBNFDUYBNOPP-ZBFHGGJFSA-N 1 0 276.428 2.126 10 0 CEAERO C[C@H]1C[NH2+][C@@](C)(c2ccccc2)CN1Cc1cnn(C)c1 ZINC000085531824 179091578 /nfs/dbraw/zinc/09/15/78/179091578.db2.gz WIHAMYFYBLZFDE-WMLDXEAASA-N 1 0 284.407 2.129 10 0 CEAERO C[NH2+][C@](C)(CCCCOc1cc(C)ccc1F)C(N)=O ZINC000085560744 179094664 /nfs/dbraw/zinc/09/46/64/179094664.db2.gz MHYZWICMWQTEKF-OAHLLOKOSA-N 1 0 282.359 2.147 10 0 CEAERO CCc1nc2c(n1C[C@H]1Cc3ccccc3O1)CC[NH2+]C2 ZINC000085570664 179096109 /nfs/dbraw/zinc/09/61/09/179096109.db2.gz TUBXZRAEZLODDJ-CYBMUJFWSA-N 1 0 283.375 2.095 10 0 CEAERO COc1ccccc1-n1c2c(nc1C1CC1)C[NH2+]CC2 ZINC000085569518 179096159 /nfs/dbraw/zinc/09/61/59/179096159.db2.gz RIYMZVHCQGXISC-UHFFFAOYSA-N 1 0 269.348 2.404 10 0 CEAERO CCc1nc2c(n1-c1ccc(OC)cc1)CC[NH2+]C2 ZINC000085569424 179096257 /nfs/dbraw/zinc/09/62/57/179096257.db2.gz WPQKJQUYNLCSPP-UHFFFAOYSA-N 1 0 257.337 2.089 10 0 CEAERO C[C@H]([NH2+][C@@H](CO)c1ccccc1)C(=O)Nc1ccccc1 ZINC000063002693 362740892 /nfs/dbraw/zinc/74/08/92/362740892.db2.gz DQXQHTMDPHFBGP-BBRMVZONSA-N 1 0 284.359 2.337 10 0 CEAERO CC(C)(C)c1nc2c(n1[C@@H]1CCCC[C@@H]1O)CC[NH2+]C2 ZINC000085571265 179096982 /nfs/dbraw/zinc/09/69/82/179096982.db2.gz DWGNAHDOFSAZGM-KGLIPLIRSA-N 1 0 277.412 2.302 10 0 CEAERO COCCCCn1c2c(nc1C(C)C)C[NH2+]CC2 ZINC000085572746 179097057 /nfs/dbraw/zinc/09/70/57/179097057.db2.gz HBYXUTXVAPGPJZ-UHFFFAOYSA-N 1 0 251.374 2.079 10 0 CEAERO CCC1(CC)C[N@H+](C[C@@H]2CCOC2)[C@@H](C)CCN1 ZINC000085628141 179106637 /nfs/dbraw/zinc/10/66/37/179106637.db2.gz RPQOSLNEWIDHKF-KBPBESRZSA-N 1 0 254.418 2.266 10 0 CEAERO CCCc1nc2c(n1CCCCn1ccnc1)CC[NH2+]C2 ZINC000085573042 179098521 /nfs/dbraw/zinc/09/85/21/179098521.db2.gz VNFKUHQWMBZICP-UHFFFAOYSA-N 1 0 287.411 2.158 10 0 CEAERO CC[C@H](C)[C@H]1C[N@H+](CC2CCOCC2)CCCN1 ZINC000085609773 179101241 /nfs/dbraw/zinc/10/12/41/179101241.db2.gz JWNTWWGZJOZOIE-DZGCQCFKSA-N 1 0 254.418 2.123 10 0 CEAERO CCn1cc(CN2CCC[NH2+][C@H](c3ccccc3)C2)cn1 ZINC000085610870 179102617 /nfs/dbraw/zinc/10/26/17/179102617.db2.gz WCOAPQJXRWLBAE-KRWDZBQOSA-N 1 0 284.407 2.440 10 0 CEAERO C[C@]1(c2ccccc2)C[N@H+](CCn2cccn2)CCCN1 ZINC000085615675 179104761 /nfs/dbraw/zinc/10/47/61/179104761.db2.gz YMARVBWAUWODIT-QGZVFWFLSA-N 1 0 284.407 2.094 10 0 CEAERO COc1cccc(CN2CC(C)(C)[NH2+]CC[C@@H]2C)n1 ZINC000085622562 179105706 /nfs/dbraw/zinc/10/57/06/179105706.db2.gz RPXCSIWLFCNJKA-LBPRGKRZSA-N 1 0 263.385 2.053 10 0 CEAERO C[C@@H]1CCNC(C)(C)C[N@@H+]1CCCOCC(F)(F)F ZINC000085622631 179105769 /nfs/dbraw/zinc/10/57/69/179105769.db2.gz IACSZORFRWNNKF-LLVKDONJSA-N 1 0 282.350 2.418 10 0 CEAERO COCCC[N@@H+]1C[C@H](c2ccccc2)NCC[C@@H]1C ZINC000085621224 179105946 /nfs/dbraw/zinc/10/59/46/179105946.db2.gz BCDYTWAZJQPFHD-GOEBONIOSA-N 1 0 262.397 2.448 10 0 CEAERO C[C@@H](Cn1cccn1)[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085674116 179111721 /nfs/dbraw/zinc/11/17/21/179111721.db2.gz NFPCITAKCZSZNQ-FQUUOJAGSA-N 1 0 263.385 2.065 10 0 CEAERO C[C@@H](Cn1ccnc1)[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085674127 179112040 /nfs/dbraw/zinc/11/20/40/179112040.db2.gz MCZASCKCECBAPO-FQUUOJAGSA-N 1 0 263.385 2.065 10 0 CEAERO C[C@H](CN1CCCC1)[NH2+][C@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085675457 179112647 /nfs/dbraw/zinc/11/26/47/179112647.db2.gz IIEXYNIQSKVNPJ-QPSCCSFWSA-N 1 0 266.429 2.264 10 0 CEAERO COc1cc(OC)c(OC)cc1CC[NH2+]C(C)C ZINC000085696818 179115806 /nfs/dbraw/zinc/11/58/06/179115806.db2.gz PPXPWPFPLSRBPE-UHFFFAOYSA-N 1 0 253.342 2.253 10 0 CEAERO CCCCOC[C@H](O)C[NH2+][C@H]1CC2CCC1CC2 ZINC000336796187 365819811 /nfs/dbraw/zinc/81/98/11/365819811.db2.gz QJAAOFMOYNICPI-CVSAEHQPSA-N 1 0 255.402 2.332 10 0 CEAERO CC[NH2+]C[C@@H](O)c1ccc(Br)c(C)c1 ZINC000085708691 179123100 /nfs/dbraw/zinc/12/31/00/179123100.db2.gz WKPZUUQTIYAVEH-LLVKDONJSA-N 1 0 258.159 2.400 10 0 CEAERO C[NH+](C)C(C)(C)[C@@H](N)c1occc1Br ZINC000085736542 179134667 /nfs/dbraw/zinc/13/46/67/179134667.db2.gz SVCYFQKNPIWTPW-VIFPVBQESA-N 1 0 261.163 2.382 10 0 CEAERO C[C@@H]([NH3+])C1CCN(c2cc3ccccc3c(=O)[nH]2)CC1 ZINC000110651815 136558071 /nfs/dbraw/zinc/55/80/71/136558071.db2.gz SHVVFPXYIYFRFZ-LLVKDONJSA-N 1 0 271.364 2.092 10 0 CEAERO CC[NH2+][C@H](Cc1ccccc1)C(C)(C)N1CCOCC1 ZINC000085742483 179137677 /nfs/dbraw/zinc/13/76/77/179137677.db2.gz UAEOMPRWVVBAJO-MRXNPFEDSA-N 1 0 276.424 2.318 10 0 CEAERO C[C@H]([NH3+])c1ccccc1N1CCN(c2nccs2)CC1 ZINC000019872259 136579674 /nfs/dbraw/zinc/57/96/74/136579674.db2.gz APRQYEDBIVSCRD-LBPRGKRZSA-N 1 0 288.420 2.489 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@H](C)c1c(F)cccc1OC ZINC000236919799 370654978 /nfs/dbraw/zinc/65/49/78/370654978.db2.gz AYACSDOYWQOOGX-KOLCDFICSA-N 1 0 268.332 2.139 10 0 CEAERO CC[NH2+][C@H](Cc1ccccc1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000085800606 179173802 /nfs/dbraw/zinc/17/38/02/179173802.db2.gz ZYWNYLSFWIGZEB-BRWVUGGUSA-N 1 0 274.408 2.070 10 0 CEAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000282226271 232597660 /nfs/dbraw/zinc/59/76/60/232597660.db2.gz IHDIHDNYXKQQEL-PWVHCVSASA-N 1 0 276.355 2.328 10 0 CEAERO CC(C)n1c2ccc(F)cc2nc1[C@@]1([NH3+])CCOC1 ZINC000085849544 179187164 /nfs/dbraw/zinc/18/71/64/179187164.db2.gz GQRCZKPBKPFFIC-CQSZACIVSA-N 1 0 263.316 2.331 10 0 CEAERO CCCn1c2ccc(F)cc2nc1[C@@]1([NH3+])CCOC1 ZINC000085849527 179187591 /nfs/dbraw/zinc/18/75/91/179187591.db2.gz TXKCFNYZKBGJJR-CQSZACIVSA-N 1 0 263.316 2.160 10 0 CEAERO [NH3+][C@]1(C(=O)Nc2ccc(OC3CCCC3)cc2)CCOC1 ZINC000085871971 179193234 /nfs/dbraw/zinc/19/32/34/179193234.db2.gz HOPFNUHLSGHPIB-MRXNPFEDSA-N 1 0 290.363 2.064 10 0 CEAERO CCOc1ccccc1C(=O)NC[C@H]1CCCC[C@@H]1[NH3+] ZINC000085964950 179205210 /nfs/dbraw/zinc/20/52/10/179205210.db2.gz YBGSBQFXLGQIBZ-OCCSQVGLSA-N 1 0 276.380 2.333 10 0 CEAERO Cc1ccc(C)c(CC(=O)NC[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000085965843 179205636 /nfs/dbraw/zinc/20/56/36/179205636.db2.gz ABNYYFBWAYSHIY-ZBFHGGJFSA-N 1 0 274.408 2.480 10 0 CEAERO CCOc1ccc(C(=O)NC[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000085967314 179205876 /nfs/dbraw/zinc/20/58/76/179205876.db2.gz AOHNDWIBMMEDSI-UKRRQHHQSA-N 1 0 276.380 2.333 10 0 CEAERO CCOc1ccc(C(=O)NC[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000085967307 179206041 /nfs/dbraw/zinc/20/60/41/179206041.db2.gz AOHNDWIBMMEDSI-DZGCQCFKSA-N 1 0 276.380 2.333 10 0 CEAERO Cc1ccc(CC(=O)NC[C@H]2CCCC[C@@H]2[NH3+])cc1C ZINC000085966897 179206107 /nfs/dbraw/zinc/20/61/07/179206107.db2.gz NXDCVOMWSALOFN-CVEARBPZSA-N 1 0 274.408 2.480 10 0 CEAERO CCOc1ccc(C(=O)NC[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000085967302 179206122 /nfs/dbraw/zinc/20/61/22/179206122.db2.gz AOHNDWIBMMEDSI-ZFWWWQNUSA-N 1 0 276.380 2.333 10 0 CEAERO COc1nc2sccn2c1C[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000085973272 179207060 /nfs/dbraw/zinc/20/70/60/179207060.db2.gz CJQGHEJOOHPFDM-CMPLNLGQSA-N 1 0 295.408 2.045 10 0 CEAERO Cc1ccc(C)c(S(=O)(=O)NC[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000085972576 179207163 /nfs/dbraw/zinc/20/71/63/179207163.db2.gz GXDWZCWOXWZLGB-KGLIPLIRSA-N 1 0 296.436 2.099 10 0 CEAERO Cc1cc(C[NH2+]C[C@@H]2CCCC[C@H]2O)c(C)n1C ZINC000085972083 179207455 /nfs/dbraw/zinc/20/74/55/179207455.db2.gz MXAQJIFFHSIEFM-DZGCQCFKSA-N 1 0 250.386 2.283 10 0 CEAERO Cc1ccc(C)c(S(=O)(=O)NC[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000085972574 179207482 /nfs/dbraw/zinc/20/74/82/179207482.db2.gz GXDWZCWOXWZLGB-KBPBESRZSA-N 1 0 296.436 2.099 10 0 CEAERO CCC[NH2+][C@H](CCO)C[S@](=O)c1cc(C)ccc1C ZINC000085926596 179201911 /nfs/dbraw/zinc/20/19/11/179201911.db2.gz GHJSCKFMJOKAFB-AUUYWEPGSA-N 1 0 283.437 2.162 10 0 CEAERO CCC[NH2+][C@H](CCO)COc1cccc(OCC)c1 ZINC000085926980 179202438 /nfs/dbraw/zinc/20/24/38/179202438.db2.gz WLTDYOKTVOBTJD-CYBMUJFWSA-N 1 0 267.369 2.215 10 0 CEAERO CC[NH2+][C@H](CCO)CSc1nc2cc(OC)ccc2[nH]1 ZINC000085928759 179202750 /nfs/dbraw/zinc/20/27/50/179202750.db2.gz CRELGCXKPVQLLX-SNVBAGLBSA-N 1 0 295.408 2.024 10 0 CEAERO Cc1ccc(NC(=O)[C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)cc1 ZINC000085986097 179211462 /nfs/dbraw/zinc/21/14/62/179211462.db2.gz VCSAHRAJRYKNAV-DZKIICNBSA-N 1 0 290.407 2.463 10 0 CEAERO CC1CCC(OC[C@H](O)C[NH2+]C[C@H]2CCCC[C@@H]2O)CC1 ZINC000085986396 179212247 /nfs/dbraw/zinc/21/22/47/179212247.db2.gz HCIGYHITOKIKNZ-LXJVZLBISA-N 1 0 299.455 2.083 10 0 CEAERO C[C@@H](O)CC[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000085990759 179213520 /nfs/dbraw/zinc/21/35/20/179213520.db2.gz JZEXKJVYICRSQN-MLGOLLRUSA-N 1 0 259.349 2.234 10 0 CEAERO C[C@@H]1CC[C@@H]([NH2+]Cc2nnnn2-c2ccccc2)[C@@H]1C ZINC000086076818 179225843 /nfs/dbraw/zinc/22/58/43/179225843.db2.gz NNKBBAHLYXNTSX-YRGRVCCFSA-N 1 0 271.368 2.187 10 0 CEAERO Cc1cccc(CS(=O)(=O)[C@@H]2CC[C@@H]([NH3+])[C@@H]2C)c1 ZINC000086041822 179222321 /nfs/dbraw/zinc/22/23/21/179222321.db2.gz MTINXRGQCRIDLK-IACUBPJLSA-N 1 0 267.394 2.036 10 0 CEAERO CC[NH2+][C@@H]1CC[C@@H](S(=O)(=O)c2ccc(OC)cc2)[C@@H]1C ZINC000086040765 179222353 /nfs/dbraw/zinc/22/23/53/179222353.db2.gz UJFGKOCQFVUYCE-KCPJHIHWSA-N 1 0 297.420 2.246 10 0 CEAERO CCOC[C@H](C)N1CC[NH2+][C@H](C2CCCCC2)C1 ZINC000086146023 179238480 /nfs/dbraw/zinc/23/84/80/179238480.db2.gz BNYJVDOHPXDQNX-ZFWWWQNUSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@]1(C)CN(CCc2ccc(OC)c(OC)c2)CC[NH2+]1 ZINC000086123830 179235317 /nfs/dbraw/zinc/23/53/17/179235317.db2.gz UOSOWDLOCSRRGQ-QGZVFWFLSA-N 1 0 292.423 2.320 10 0 CEAERO CCn1cc(N2CC[NH2+][C@H](c3ccccc3)C2)cn1 ZINC000086127956 179235688 /nfs/dbraw/zinc/23/56/88/179235688.db2.gz FMEBXVVEEFGWKK-HNNXBMFYSA-N 1 0 256.353 2.054 10 0 CEAERO Cc1nc(CN2CC[NH2+][C@H](CC(C)C)C2)cs1 ZINC000086144275 179237731 /nfs/dbraw/zinc/23/77/31/179237731.db2.gz RQPWWOVQFUCAQH-GFCCVEGCSA-N 1 0 253.415 2.271 10 0 CEAERO Cc1ncc(CN2CC[NH2+][C@H](Cc3ccccc3)C2)s1 ZINC000086144167 179237897 /nfs/dbraw/zinc/23/78/97/179237897.db2.gz NXIZQLSZGHGZKD-OAHLLOKOSA-N 1 0 287.432 2.468 10 0 CEAERO C[C@]1(c2ccccc2)C[N@H+](CC[C@@H]2CCCO2)CCN1 ZINC000086145584 179237907 /nfs/dbraw/zinc/23/79/07/179237907.db2.gz MWAXQIASWWGUJP-DLBZAZTESA-N 1 0 274.408 2.376 10 0 CEAERO CC[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCCCC[NH2+]2)[C@@H]1C ZINC000086093933 179228757 /nfs/dbraw/zinc/22/87/57/179228757.db2.gz WZFJHULKNAQDBO-SYQHCUMBSA-N 1 0 252.402 2.460 10 0 CEAERO CC[C@@H]1CC[C@@H](NC(=O)C[C@@H]2CCC[NH2+]C2)[C@@H]1C ZINC000086094186 179229112 /nfs/dbraw/zinc/22/91/12/179229112.db2.gz UFNADIGFJQJIAZ-XJFOESAGSA-N 1 0 252.402 2.317 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)Nc2ccc(Br)cc2)C1 ZINC000086089443 179229136 /nfs/dbraw/zinc/22/91/36/179229136.db2.gz JQHNJQXTQGCMGW-WPRPVWTQSA-N 1 0 281.153 2.291 10 0 CEAERO CC(C)[C@H]1CN([C@@H]2CCOc3ccccc32)CC[NH2+]1 ZINC000086147385 179239906 /nfs/dbraw/zinc/23/99/06/179239906.db2.gz XWUQZGNWRVNCBZ-HUUCEWRRSA-N 1 0 260.381 2.440 10 0 CEAERO CC(C)(C)[C@@H]1CN(CCOC2CCCC2)CC[NH2+]1 ZINC000086149507 179240925 /nfs/dbraw/zinc/24/09/25/179240925.db2.gz ADDNOQPBNHBYHN-AWEZNQCLSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@H]1CN[C@H](Cc2ccccc2)C[N@@H+]1C1CCOCC1 ZINC000086154440 179241383 /nfs/dbraw/zinc/24/13/83/179241383.db2.gz XXOYDDVIKCACCF-SJORKVTESA-N 1 0 288.435 2.461 10 0 CEAERO CCOC[C@@H](C)[N@@H+]1C[C@H](C(C)C)NC[C@@H]1C(C)C ZINC000086173885 179244339 /nfs/dbraw/zinc/24/43/39/179244339.db2.gz SLCCKLDHKDNUOP-RBSFLKMASA-N 1 0 256.434 2.366 10 0 CEAERO CC[C@H]1C[NH2+][C@H](Cc2ccccc2)CN1[C@@H]1CCCOC1 ZINC000086175683 179245903 /nfs/dbraw/zinc/24/59/03/179245903.db2.gz DNAVZVLHSQHVPU-FGTMMUONSA-N 1 0 288.435 2.461 10 0 CEAERO CC(=O)N[C@H]1CCC[N@@H+]([C@@H]2C=CCCCCC2)C1 ZINC000606432940 347471494 /nfs/dbraw/zinc/47/14/94/347471494.db2.gz ZDCJPRGLZKASEI-LSDHHAIUSA-N 1 0 250.386 2.476 10 0 CEAERO c1ccc([C@H]2C[NH2+]CCN2CCc2ccncc2)cc1 ZINC000086177272 179246977 /nfs/dbraw/zinc/24/69/77/179246977.db2.gz AEVVWTNJAGANIK-QGZVFWFLSA-N 1 0 267.376 2.271 10 0 CEAERO CC[C@H]1CN([C@@H](C)Cc2ccc(F)cc2)CC[NH2+]1 ZINC000086148457 179239689 /nfs/dbraw/zinc/23/96/89/179239689.db2.gz MFCAUJPVTFOZNB-WFASDCNBSA-N 1 0 250.361 2.441 10 0 CEAERO Cc1csc(CCN2CC[NH2+][C@@](C)(C3CC3)C2)n1 ZINC000086148855 179239809 /nfs/dbraw/zinc/23/98/09/179239809.db2.gz NEGFTWKVIHTUHB-CQSZACIVSA-N 1 0 265.426 2.068 10 0 CEAERO CCn1cc(N2C[C@@H](CC(C)C)[NH2+]C[C@@H]2C)cn1 ZINC000086218549 179249753 /nfs/dbraw/zinc/24/97/53/179249753.db2.gz QEPPFFJRPVTAEN-QWHCGFSZSA-N 1 0 250.390 2.116 10 0 CEAERO C[C@@H]1C[NH2+][C@](C)(C2CC2)CN1CCc1ccccn1 ZINC000086221436 179250422 /nfs/dbraw/zinc/25/04/22/179250422.db2.gz OPZXTHZIMUYOGY-CJNGLKHVSA-N 1 0 259.397 2.087 10 0 CEAERO CC(C)[C@H]1C[NH2+]C(C)(C)CN1CCc1ccccn1 ZINC000086221451 179250552 /nfs/dbraw/zinc/25/05/52/179250552.db2.gz GQTAWXDNRGBBFI-OAHLLOKOSA-N 1 0 261.413 2.333 10 0 CEAERO CC[C@H]1C[NH2+][C@](C)(CC)CN1CCc1ccccn1 ZINC000086221465 179250702 /nfs/dbraw/zinc/25/07/02/179250702.db2.gz PFJIBKITNGUPNE-JKSUJKDBSA-N 1 0 261.413 2.477 10 0 CEAERO CC(C)[C@H]1CN[C@@](C)(C2CC2)C[N@@H+]1C1CCOCC1 ZINC000086218767 179250980 /nfs/dbraw/zinc/25/09/80/179250980.db2.gz MCRDTYRNSWCIIH-HZPDHXFCSA-N 1 0 266.429 2.264 10 0 CEAERO CCC1(CC)CN(CCc2cccnc2)[C@H](C)C[NH2+]1 ZINC000086223238 179252297 /nfs/dbraw/zinc/25/22/97/179252297.db2.gz VCPWPRCKKMYFAS-CQSZACIVSA-N 1 0 261.413 2.477 10 0 CEAERO Cc1nc(CN2C[C@@H](C3CC3)[NH2+]C[C@@H]2C)cs1 ZINC000086226987 179253458 /nfs/dbraw/zinc/25/34/58/179253458.db2.gz JPEPCKCAVDPJNB-ZANVPECISA-N 1 0 251.399 2.024 10 0 CEAERO CC[C@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1ccnc(C)n1 ZINC000086260186 179259152 /nfs/dbraw/zinc/25/91/52/179259152.db2.gz DDJDGEKMKIBYRV-JKSUJKDBSA-N 1 0 274.412 2.138 10 0 CEAERO Cc1cc(CN2C[C@H](C3CC3)[NH2+]C[C@@H]2C(C)C)no1 ZINC000086259799 179259175 /nfs/dbraw/zinc/25/91/75/179259175.db2.gz WRQWDKXHYTZHEX-HUUCEWRRSA-N 1 0 263.385 2.191 10 0 CEAERO CC[C@H]1C[NH2+]C(C)(C)CN1Cc1ccc2c(c1)OCO2 ZINC000086263436 179259900 /nfs/dbraw/zinc/25/99/00/179259900.db2.gz ZQMPCMVIJOZUEW-ZDUSSCGKSA-N 1 0 276.380 2.378 10 0 CEAERO CC[C@@H]1CN[C@@](C)(C2CC2)C[N@@H+]1C[C@@H](C)COC ZINC000086260923 179260323 /nfs/dbraw/zinc/26/03/23/179260323.db2.gz ZOSWXZLCHGQPPR-BPLDGKMQSA-N 1 0 254.418 2.121 10 0 CEAERO COc1cc(CN2C[C@H](C3CC3)[NH2+]C[C@@H]2C(C)C)ccn1 ZINC000086263832 179260937 /nfs/dbraw/zinc/26/09/37/179260937.db2.gz VRBVRQMLGWZIBS-HZPDHXFCSA-N 1 0 289.423 2.299 10 0 CEAERO CC[C@@H]1CN(CCc2nccs2)[C@H](C(C)C)C[NH2+]1 ZINC000086264337 179261027 /nfs/dbraw/zinc/26/10/27/179261027.db2.gz NSOWYSBRDXAYGB-OLZOCXBDSA-N 1 0 267.442 2.394 10 0 CEAERO CC[C@@H]1C[NH2+][C@@](C)(CC)CN1Cc1ccc(OC)nc1 ZINC000086263917 179261093 /nfs/dbraw/zinc/26/10/93/179261093.db2.gz QABPPKNSOORVTO-ZBFHGGJFSA-N 1 0 277.412 2.443 10 0 CEAERO C[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1CCc1nccs1 ZINC000086264350 179261363 /nfs/dbraw/zinc/26/13/63/179261363.db2.gz HNFAYDHYWMNJID-NWDGAFQWSA-N 1 0 267.442 2.394 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](c2ccccc2)CN1Cc1nccn1C ZINC000086264843 179261425 /nfs/dbraw/zinc/26/14/25/179261425.db2.gz DKCDAJMDKZQBFE-HZPDHXFCSA-N 1 0 284.407 2.345 10 0 CEAERO CCC1(CC)CN(Cc2cscn2)[C@@H](C)C[NH2+]1 ZINC000086265464 179261800 /nfs/dbraw/zinc/26/18/00/179261800.db2.gz KWZBSNCWVNISGU-NSHDSACASA-N 1 0 253.415 2.496 10 0 CEAERO C[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1CCOC1CCCC1 ZINC000086265651 179262354 /nfs/dbraw/zinc/26/23/54/179262354.db2.gz SZOABFOMOYAENC-CZUORRHYSA-N 1 0 266.429 2.408 10 0 CEAERO CSCCC[N@@H+]1C[C@H](C2CC2)NC[C@@H]1C(C)C ZINC000086266286 179262441 /nfs/dbraw/zinc/26/24/41/179262441.db2.gz MANWDHZOFJOLJS-ZIAGYGMSSA-N 1 0 256.459 2.448 10 0 CEAERO C[N@H+](Cc1ccc(N)cc1Br)CC(C)(C)O ZINC000086273388 179262809 /nfs/dbraw/zinc/26/28/09/179262809.db2.gz YULKJGIJCLLSKG-UHFFFAOYSA-N 1 0 287.201 2.234 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1Nc1nc(Br)cs1 ZINC000086290739 179265586 /nfs/dbraw/zinc/26/55/86/179265586.db2.gz VGCNXQNZDUIXQU-NTSWFWBYSA-N 1 0 262.176 2.197 10 0 CEAERO CC[C@H]1CN(c2ccc(F)cc2OC)CCC[NH2+]1 ZINC000086290815 179265656 /nfs/dbraw/zinc/26/56/56/179265656.db2.gz AUAIFHJOWSSZRE-LBPRGKRZSA-N 1 0 252.333 2.413 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1Nc1nc(Br)cs1 ZINC000086290744 179265682 /nfs/dbraw/zinc/26/56/82/179265682.db2.gz VGCNXQNZDUIXQU-PHDIDXHHSA-N 1 0 262.176 2.197 10 0 CEAERO CN(C[C@@H]1CC[N@H+](C)C1)c1nc(Br)cs1 ZINC000086291184 179265813 /nfs/dbraw/zinc/26/58/13/179265813.db2.gz RNXCRHBWXBJPAI-MRVPVSSYSA-N 1 0 290.230 2.294 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1Oc1nc(Br)cs1 ZINC000086291782 179266402 /nfs/dbraw/zinc/26/64/02/179266402.db2.gz MKPMKPQGRDYNLY-NKWVEPMBSA-N 1 0 277.187 2.412 10 0 CEAERO Cc1cccc(CN2CCC[NH2+][C@](C)(C3CC3)C2)n1 ZINC000086293960 179268015 /nfs/dbraw/zinc/26/80/15/179268015.db2.gz ZVWLABRXHLLOLN-INIZCTEOSA-N 1 0 259.397 2.354 10 0 CEAERO CC[C@H](C)[C@H]1CN(Cc2ccnc(OC)c2)CCC[NH2+]1 ZINC000086296312 179268301 /nfs/dbraw/zinc/26/83/01/179268301.db2.gz RMUHWJHQBQYMHM-DZGCQCFKSA-N 1 0 277.412 2.300 10 0 CEAERO Cc1nn([C@H](C)[C@H](C)C[NH3+])c(C)c1Br ZINC000086312855 179268557 /nfs/dbraw/zinc/26/85/57/179268557.db2.gz CDHHYAWMRDZYII-HTRCEHHLSA-N 1 0 260.179 2.418 10 0 CEAERO [NH3+][C@H]1CC[C@@H](Oc2nc(Br)cs2)C1 ZINC000086408373 179286071 /nfs/dbraw/zinc/28/60/71/179286071.db2.gz LJGOLIYELWJDOY-NTSWFWBYSA-N 1 0 263.160 2.164 10 0 CEAERO CC[NH2+][C@H]1CCCc2sc(N3CCOC[C@@H]3C)nc21 ZINC000086442743 179293509 /nfs/dbraw/zinc/29/35/09/179293509.db2.gz NTYGFRGVNMLBMK-QWRGUYRKSA-N 1 0 281.425 2.355 10 0 CEAERO C[NH2+][C@H]1CCCc2sc(N(C)C3CCOCC3)nc21 ZINC000086442932 179293588 /nfs/dbraw/zinc/29/35/88/179293588.db2.gz RBBRXRXEFGYNIC-NSHDSACASA-N 1 0 281.425 2.355 10 0 CEAERO CN(C[C@H]1CCCCO1)c1nc2c(s1)CCC[C@@H]2[NH3+] ZINC000086443256 179293681 /nfs/dbraw/zinc/29/36/81/179293681.db2.gz LBRUPAGARYXQFC-MNOVXSKESA-N 1 0 281.425 2.485 10 0 CEAERO CCOCCN(CC)c1nc2c(s1)CCC[C@@H]2[NH3+] ZINC000086444186 179293943 /nfs/dbraw/zinc/29/39/43/179293943.db2.gz XICJCKLMGXQREN-JTQLQIEISA-N 1 0 269.414 2.342 10 0 CEAERO CC[C@@H]1CN(C(=O)COc2ccccc2)[C@@H](CC)C[NH2+]1 ZINC000086446561 179294462 /nfs/dbraw/zinc/29/44/62/179294462.db2.gz YEAMTKHWNIXAFL-KGLIPLIRSA-N 1 0 276.380 2.054 10 0 CEAERO CC[C@H]1CN(C(=O)c2cc(Cl)cn2C)[C@@H](CC)C[NH2+]1 ZINC000086446289 179295123 /nfs/dbraw/zinc/29/51/23/179295123.db2.gz SADMROMSQOIANU-RYUDHWBXSA-N 1 0 283.803 2.281 10 0 CEAERO CC[C@@H]1CN(C(=O)c2ccc3c(c2)COC3)[C@H](CC)C[NH2+]1 ZINC000086447144 179295545 /nfs/dbraw/zinc/29/55/45/179295545.db2.gz ZZXJLQUDBAWWAL-HZPDHXFCSA-N 1 0 288.391 2.319 10 0 CEAERO CC[C@H]1CN(C(=O)c2ccc3c(c2)COC3)[C@@H](CC)C[NH2+]1 ZINC000086447149 179295623 /nfs/dbraw/zinc/29/56/23/179295623.db2.gz ZZXJLQUDBAWWAL-HOTGVXAUSA-N 1 0 288.391 2.319 10 0 CEAERO CC[C@@H]1CN(C(=O)Cc2ccccc2)[C@@H](CC)C[NH2+]1 ZINC000086446912 179295804 /nfs/dbraw/zinc/29/58/04/179295804.db2.gz VYIOHYZWQJZVPW-CABCVRRESA-N 1 0 260.381 2.218 10 0 CEAERO Nc1ccc(Cl)cc1SC[C@H]1C[NH2+]CCO1 ZINC000086479817 179300702 /nfs/dbraw/zinc/30/07/02/179300702.db2.gz HBGKUTLKQOFGAR-SECBINFHSA-N 1 0 258.774 2.003 10 0 CEAERO C[NH2+][C@H](C)CCc1nc([C@H]2Cc3ccccc32)no1 ZINC000086492200 179302313 /nfs/dbraw/zinc/30/23/13/179302313.db2.gz SKAXLYMKXUGONA-MFKMUULPSA-N 1 0 257.337 2.298 10 0 CEAERO CC[C@H]([NH3+])Cc1cnc([C@@H]2Cc3ccccc32)nc1 ZINC000086490819 179302384 /nfs/dbraw/zinc/30/23/84/179302384.db2.gz HHTGGBMJDRMSSP-DZGCQCFKSA-N 1 0 253.349 2.444 10 0 CEAERO NNc1[nH+]c([C@@H]2Cc3ccccc32)nc2c1CCCC2 ZINC000086490645 179302538 /nfs/dbraw/zinc/30/25/38/179302538.db2.gz REDSNUHBAFIALL-CYBMUJFWSA-N 1 0 266.348 2.329 10 0 CEAERO CC[C@@H]1CN(CC(=O)NC2CCC(C)CC2)[C@@H](CC)C[NH2+]1 ZINC000086464056 179296312 /nfs/dbraw/zinc/29/63/12/179296312.db2.gz LAMHXNODMTTZSZ-KNIAUWFNSA-N 1 0 295.471 2.144 10 0 CEAERO O=C(CC[C@H]1CCC[NH2+]1)N1CCC2(CCC2)CC1 ZINC000308705137 539577705 /nfs/dbraw/zinc/57/77/05/539577705.db2.gz YVEINOGKBTXUKX-CYBMUJFWSA-N 1 0 250.386 2.311 10 0 CEAERO COC(OC)[C@H]([NH3+])c1cscc1Br ZINC000086556033 179307241 /nfs/dbraw/zinc/30/72/41/179307241.db2.gz MEEQUWBWDMMVEB-SSDOTTSWSA-N 1 0 266.160 2.129 10 0 CEAERO CCS(=O)(=O)CC[C@H]([NH3+])Cc1cccc(Cl)c1 ZINC000086567818 179308070 /nfs/dbraw/zinc/30/80/70/179308070.db2.gz HQGVIRUUPYCCEF-LBPRGKRZSA-N 1 0 275.801 2.035 10 0 CEAERO CC(C)(C)C1CCC([NH3+])([C@H]2CCS(=O)(=O)C2)CC1 ZINC000086566838 179308129 /nfs/dbraw/zinc/30/81/29/179308129.db2.gz QYXKINYXMJHQMQ-LXVYMNJGSA-N 1 0 273.442 2.355 10 0 CEAERO CO[C@@H](C)[C@@H]([NH3+])Cc1cccc(Br)c1 ZINC000086576654 179308322 /nfs/dbraw/zinc/30/83/22/179308322.db2.gz YPNPZKFNAINJNN-KWQFWETISA-N 1 0 258.159 2.354 10 0 CEAERO COc1ccc(C[C@H]([NH3+])[C@H](C)OC)cc1Br ZINC000086576509 179308426 /nfs/dbraw/zinc/30/84/26/179308426.db2.gz XUXFCCNIDJNHPC-KWQFWETISA-N 1 0 288.185 2.362 10 0 CEAERO COc1ccc([C@@H]([NH2+]CC(C)C)C(N)=O)cc1Cl ZINC000086595393 179310634 /nfs/dbraw/zinc/31/06/34/179310634.db2.gz NSYKOBRFLABUIA-GFCCVEGCSA-N 1 0 270.760 2.121 10 0 CEAERO C[C@H]([NH3+])Cc1nc2cc(F)c(Br)cc2[nH]1 ZINC000086598510 179310770 /nfs/dbraw/zinc/31/07/70/179310770.db2.gz AYMWDWPFLHUHHR-YFKPBYRVSA-N 1 0 272.121 2.354 10 0 CEAERO COc1ccc(OC)c([C@H]2C[NH2+]C[C@H](C)CO2)c1 ZINC000086633980 179315133 /nfs/dbraw/zinc/31/51/33/179315133.db2.gz ZCKCCSHACJWGMD-IINYFYTJSA-N 1 0 251.326 2.001 10 0 CEAERO C[C@@H](C[NH3+])CNc1c(F)c(F)c(F)c(F)c1F ZINC000086634526 179315385 /nfs/dbraw/zinc/31/53/85/179315385.db2.gz DOPFRPLMSBJBOL-BYPYZUCNSA-N 1 0 254.202 2.389 10 0 CEAERO COC[C@H](NC(=O)Nc1cccc([C@@H](C)[NH3+])c1)C(C)C ZINC000086706962 179322299 /nfs/dbraw/zinc/32/22/99/179322299.db2.gz UGBIIYULXPSLHY-RISCZKNCSA-N 1 0 279.384 2.499 10 0 CEAERO C[N@@H+]1CC[C@@](O)(Cc2cc(F)cc(Br)c2)C1 ZINC000086695458 179321113 /nfs/dbraw/zinc/32/11/13/179321113.db2.gz LPKJQGHVXBWIBL-GFCCVEGCSA-N 1 0 288.160 2.197 10 0 CEAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2S(C)(=O)=O)o1 ZINC000086672818 179317856 /nfs/dbraw/zinc/31/78/56/179317856.db2.gz CSUHOTLMKKQVPN-LOWVWBTDSA-N 1 0 271.382 2.204 10 0 CEAERO CS(=O)(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCOc2ccccc21 ZINC000086673709 179318007 /nfs/dbraw/zinc/31/80/07/179318007.db2.gz NUPDINPUXJREFE-UMVBOHGHSA-N 1 0 295.404 2.066 10 0 CEAERO Cc1ccc(C[NH2+][C@H]2CCC[C@H]2S(C)(=O)=O)s1 ZINC000086675783 179318710 /nfs/dbraw/zinc/31/87/10/179318710.db2.gz QHPYBLPFTQUGJD-NWDGAFQWSA-N 1 0 273.423 2.112 10 0 CEAERO C[NH+](C)Cc1ccc(N[C@H]2CCC[C@@H]2S(C)(=O)=O)cc1 ZINC000086674568 179318806 /nfs/dbraw/zinc/31/88/06/179318806.db2.gz GDTHOQZPYLYLEH-GJZGRUSLSA-N 1 0 296.436 2.126 10 0 CEAERO CC(C)CCNC(=O)CO[C@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000086713091 179322581 /nfs/dbraw/zinc/32/25/81/179322581.db2.gz BKRSFYUOOQVMPO-UKRRQHHQSA-N 1 0 270.417 2.073 10 0 CEAERO CCCC1CCC(C[NH3+])(O[C@@H](C)C(=O)N(C)C)CC1 ZINC000086713317 179322684 /nfs/dbraw/zinc/32/26/84/179322684.db2.gz YBIBIJIPFAUXBP-OPFPJEHXSA-N 1 0 270.417 2.168 10 0 CEAERO CCC1CCC(C[NH3+])(OCc2cnn(C)c2)CC1 ZINC000086713215 179322755 /nfs/dbraw/zinc/32/27/55/179322755.db2.gz QQLQDZRBBBDGRT-UHFFFAOYSA-N 1 0 251.374 2.234 10 0 CEAERO C[N@@H+]1CCC[C@@H](Nc2ccc3c(c2)CCC(=O)N3)CC1 ZINC000086818388 179347048 /nfs/dbraw/zinc/34/70/48/179347048.db2.gz LCNRXQZOYHMAJE-CYBMUJFWSA-N 1 0 273.380 2.468 10 0 CEAERO C[N@@H+]1CCC[C@@H]([NH+]2CCc3ccccc3[C@@H]2C(=O)[O-])CC1 ZINC000086834617 179349797 /nfs/dbraw/zinc/34/97/97/179349797.db2.gz KQGFWFNZBYVNAR-GDBMZVCRSA-N 1 0 288.391 2.155 10 0 CEAERO CCC[N@@H+]1CCC[C@@H](Nc2ccccc2CC(N)=O)CC1 ZINC000086839848 179351674 /nfs/dbraw/zinc/35/16/74/179351674.db2.gz FWHKLJAVIQRTFT-OAHLLOKOSA-N 1 0 289.423 2.391 10 0 CEAERO CC(C)[N@@H+]1CCC[C@H](N[C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000086841697 179352402 /nfs/dbraw/zinc/35/24/02/179352402.db2.gz SEFCLLNDEKZURE-HOTGVXAUSA-N 1 0 295.471 2.240 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NCc2csc(C)n2)CC1 ZINC000086842578 179353597 /nfs/dbraw/zinc/35/35/97/179353597.db2.gz MTYUEPDPCMQZLO-GFCCVEGCSA-N 1 0 253.415 2.416 10 0 CEAERO CCC[N@@H+]1CCC[C@H](NCc2cscn2)CC1 ZINC000086845117 179355552 /nfs/dbraw/zinc/35/55/52/179355552.db2.gz GCGWRVOSGSEYGF-LBPRGKRZSA-N 1 0 253.415 2.497 10 0 CEAERO CC[N@@H+]1CCC[C@@](O)(Cc2ccccc2OC)CC1 ZINC000086852254 179359526 /nfs/dbraw/zinc/35/95/26/179359526.db2.gz CWLGXGHKIDISQV-INIZCTEOSA-N 1 0 263.381 2.475 10 0 CEAERO CCCn1ccnc1[C@]1(O)CCC[N@H+](CCC)CC1 ZINC000086852734 179359616 /nfs/dbraw/zinc/35/96/16/179359616.db2.gz BUASZQMOXAVPLY-HNNXBMFYSA-N 1 0 265.401 2.377 10 0 CEAERO CN(Cc1ccccc1F)[C@@]1(C[NH3+])CCCOCC1 ZINC000086875085 179364865 /nfs/dbraw/zinc/36/48/65/179364865.db2.gz OFLRRWIKNGWCCE-HNNXBMFYSA-N 1 0 266.360 2.156 10 0 CEAERO CCC[N@@H+]1CCC[C@@](O)(c2c(C)ccnc2N)CC1 ZINC000086852744 179360008 /nfs/dbraw/zinc/36/00/08/179360008.db2.gz MLPOOIDEFLMMHK-HNNXBMFYSA-N 1 0 263.385 2.056 10 0 CEAERO CC[NH+](CC)[C@]1(CC(=O)[O-])CCC[N@H+](CC)CC1 ZINC000086868493 179360339 /nfs/dbraw/zinc/36/03/39/179360339.db2.gz CMTSRYGWBXJXLM-CQSZACIVSA-N 1 0 256.390 2.048 10 0 CEAERO CCC[N@@H+]1CCC[C@@](NCCOC)(c2nccs2)CC1 ZINC000086851713 179359134 /nfs/dbraw/zinc/35/91/34/179359134.db2.gz IDCLFRAUGJZHOG-HNNXBMFYSA-N 1 0 297.468 2.470 10 0 CEAERO CC[C@H]1CCCC[C@@]1([NH3+])CCCS(=O)(=O)CC ZINC000086977464 179372427 /nfs/dbraw/zinc/37/24/27/179372427.db2.gz CGKKJWUCCVHRMZ-QWHCGFSZSA-N 1 0 261.431 2.499 10 0 CEAERO CC[C@@H]1CCC[C@]([NH3+])(CCCS(=O)(=O)CC)C1 ZINC000086977449 179372568 /nfs/dbraw/zinc/37/25/68/179372568.db2.gz XSOPJQJSWBOJCR-OLZOCXBDSA-N 1 0 261.431 2.499 10 0 CEAERO CCc1ccc([C@@H]([NH3+])CCCS(=O)(=O)CC)cc1 ZINC000086978600 179372764 /nfs/dbraw/zinc/37/27/64/179372764.db2.gz BPRKIFPBJYJODO-AWEZNQCLSA-N 1 0 269.410 2.464 10 0 CEAERO CCS(=O)(=O)CCC[C@@H](Cc1ccc(C)cc1)[NH2+]C ZINC000086979291 179373199 /nfs/dbraw/zinc/37/31/99/179373199.db2.gz JQKRUIVFWSEOEF-HNNXBMFYSA-N 1 0 283.437 2.340 10 0 CEAERO CCC[NH2+][C@@H]1CC[C@H](CCCS(=O)(=O)CC)C1 ZINC000086981702 179373286 /nfs/dbraw/zinc/37/32/86/179373286.db2.gz VBXFKXHBYIUGAI-QWHCGFSZSA-N 1 0 261.431 2.370 10 0 CEAERO CN(c1ccccc1F)[C@@]1(C[NH3+])CCCOCC1 ZINC000086875583 179365366 /nfs/dbraw/zinc/36/53/66/179365366.db2.gz XQGDYRSYQYTDIH-AWEZNQCLSA-N 1 0 252.333 2.160 10 0 CEAERO CC[NH+](CC)CCN[C@@]1(C(=O)OC)CCC[C@H](C)CC1 ZINC000086891864 179366354 /nfs/dbraw/zinc/36/63/54/179366354.db2.gz CBRFWSRLIYWJQT-HOCLYGCPSA-N 1 0 284.444 2.430 10 0 CEAERO CSCC[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000086902985 179366990 /nfs/dbraw/zinc/36/69/90/179366990.db2.gz RNOSHKSZZPJFGW-NSHDSACASA-N 1 0 261.456 2.384 10 0 CEAERO CC[C@H]1CCC[C@](C(=O)[O-])([N@@H+]2CCC[NH2+]CC2)CC1 ZINC000086915562 179367067 /nfs/dbraw/zinc/36/70/67/179367067.db2.gz VLEFRJCPFNHKOX-ZFWWWQNUSA-N 1 0 268.401 2.095 10 0 CEAERO CC[C@H]1CCC[C@](C[NH3+])(N(CCOC)CCOC)CC1 ZINC000086911323 179367190 /nfs/dbraw/zinc/36/71/90/179367190.db2.gz MXELHALOAFGZNC-HOTGVXAUSA-N 1 0 286.460 2.269 10 0 CEAERO CCC[C@H]1CCC[C@@H]([NH2+]C2CCN(CC(N)=O)CC2)CC1 ZINC000086943278 179367990 /nfs/dbraw/zinc/36/79/90/179367990.db2.gz PYLSQZXPVQAKNW-LSDHHAIUSA-N 1 0 295.471 2.275 10 0 CEAERO CCC[C@@H]1CCC[C@@](C[NH3+])(N2CCn3cnnc3C2)CC1 ZINC000086949095 179368894 /nfs/dbraw/zinc/36/88/94/179368894.db2.gz DILNPGVUTSTCFM-GDBMZVCRSA-N 1 0 291.443 2.172 10 0 CEAERO COCC[NH2+][C@]1(C(N)=O)CCC[C@@H](C(C)(C)C)CC1 ZINC000086959933 179369016 /nfs/dbraw/zinc/36/90/16/179369016.db2.gz QMFZXGSSHKTQIX-IUODEOHRSA-N 1 0 270.417 2.073 10 0 CEAERO CCC[NH2+][C@@H]1CCCc2nc(CCCOC)ncc21 ZINC000086971270 179370642 /nfs/dbraw/zinc/37/06/42/179370642.db2.gz XTYVQVBPTFAUDH-CYBMUJFWSA-N 1 0 263.385 2.433 10 0 CEAERO CCS(=O)(=O)CCCC[C@H]([NH3+])c1ccccc1 ZINC000086976226 179371971 /nfs/dbraw/zinc/37/19/71/179371971.db2.gz DGPWQILAOMHOAO-ZDUSSCGKSA-N 1 0 255.383 2.291 10 0 CEAERO CCOc1cc(C[NH2+]C[C@](C)(O)CC)ccc1O ZINC000087012494 179379199 /nfs/dbraw/zinc/37/91/99/179379199.db2.gz LNCGUODTVLDICI-CQSZACIVSA-N 1 0 253.342 2.042 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]C[C@](C)(O)CC)c1C ZINC000087013789 179379642 /nfs/dbraw/zinc/37/96/42/179379642.db2.gz USYBOYAYRWKNOM-QMTHXVAHSA-N 1 0 253.390 2.331 10 0 CEAERO CC[C@](C)(O)C[NH2+]Cc1c(C)nc2scc(C)n12 ZINC000087012824 179379738 /nfs/dbraw/zinc/37/97/38/179379738.db2.gz PUXRPDLVIKVRDI-ZDUSSCGKSA-N 1 0 267.398 2.263 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@@](C)(O)CC)c1C ZINC000087013783 179379951 /nfs/dbraw/zinc/37/99/51/179379951.db2.gz USYBOYAYRWKNOM-HZMBPMFUSA-N 1 0 253.390 2.331 10 0 CEAERO c1nc([C@@H]2CSCCO2)sc1C[NH2+]C1CC1 ZINC000086989829 179374638 /nfs/dbraw/zinc/37/46/38/179374638.db2.gz BJFLZILKOMJUNP-JTQLQIEISA-N 1 0 256.396 2.200 10 0 CEAERO COc1ccc([C@H]2[C@H]([NH3+])CCN2C(C)C)cc1F ZINC000086995391 179375888 /nfs/dbraw/zinc/37/58/88/179375888.db2.gz RDMGVJVQFHMMQT-OCCSQVGLSA-N 1 0 252.333 2.317 10 0 CEAERO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1c(F)cc(F)cc1F ZINC000086996240 179376686 /nfs/dbraw/zinc/37/66/86/179376686.db2.gz AHHQOCPZKKONHE-IQJOONFLSA-N 1 0 298.308 2.222 10 0 CEAERO COCC[NH2+]C[C@@H]1C[C@H]1c1ccc(OC)c(F)c1 ZINC000086995552 179376812 /nfs/dbraw/zinc/37/68/12/179376812.db2.gz NDRWXOVYKZUAMG-RYUDHWBXSA-N 1 0 253.317 2.174 10 0 CEAERO C[C@H]1CCC[NH2+][C@@H]1CNC(=O)c1c(F)cc(F)cc1F ZINC000086996420 179376822 /nfs/dbraw/zinc/37/68/22/179376822.db2.gz ISIGVBAPUYNUQS-QPUJVOFHSA-N 1 0 286.297 2.222 10 0 CEAERO CC[C@@H]([NH3+])Cc1noc(-c2c(F)cc(F)cc2F)n1 ZINC000086998698 179378131 /nfs/dbraw/zinc/37/81/31/179378131.db2.gz YUQNGYGPYFZQBU-SSDOTTSWSA-N 1 0 271.242 2.434 10 0 CEAERO CCC1CCC(O)(C[NH2+]Cc2ccoc2C(=O)OC)CC1 ZINC000087061051 179389274 /nfs/dbraw/zinc/38/92/74/179389274.db2.gz ZKIPRCBDBQGGGB-UHFFFAOYSA-N 1 0 295.379 2.487 10 0 CEAERO COc1ccc(C)cc1[C@H](O)C[NH2+]CC1(O)CCCCC1 ZINC000087029214 179382343 /nfs/dbraw/zinc/38/23/43/179382343.db2.gz DMMMCLFWILJXQA-OAHLLOKOSA-N 1 0 293.407 2.322 10 0 CEAERO CCSCc1noc(CC[C@H]2CCCC[NH2+]2)n1 ZINC000087105353 179395051 /nfs/dbraw/zinc/39/50/51/179395051.db2.gz DLWOCGPPUIUCDJ-SNVBAGLBSA-N 1 0 255.387 2.397 10 0 CEAERO CCC[NH2+][C@@H](CCCS(C)(=O)=O)CSC(C)C ZINC000087114007 179395591 /nfs/dbraw/zinc/39/55/91/179395591.db2.gz NFMKYQIUAWJZPA-LBPRGKRZSA-N 1 0 281.487 2.321 10 0 CEAERO CC[NH2+][C@H](CSC(C)C)Cc1cnccc1N ZINC000087113477 179395595 /nfs/dbraw/zinc/39/55/95/179395595.db2.gz BCAFAFPZGOVDAA-LBPRGKRZSA-N 1 0 253.415 2.326 10 0 CEAERO CC1CCC(O)(C[NH2+]C[C@H](O)c2cccc(F)c2)CC1 ZINC000087061849 179389505 /nfs/dbraw/zinc/38/95/05/179389505.db2.gz FWQYFASOUVPIRG-NRAUKZCXSA-N 1 0 281.371 2.390 10 0 CEAERO CC1CCC(O)(C[NH2+]CCOCC(F)(F)F)CC1 ZINC000087062318 179389654 /nfs/dbraw/zinc/38/96/54/179389654.db2.gz VFKIFZLPELZVQO-UHFFFAOYSA-N 1 0 269.307 2.096 10 0 CEAERO C[C@@H]1CCC[C@](O)(C[NH2+]CC(=O)Nc2ccccc2F)C1 ZINC000087064774 179390470 /nfs/dbraw/zinc/39/04/70/179390470.db2.gz QOOSHCNMEWLPGD-MLGOLLRUSA-N 1 0 294.370 2.295 10 0 CEAERO O=C(NCC1(O)CCCCCC1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000087089840 179393536 /nfs/dbraw/zinc/39/35/36/179393536.db2.gz XUPKHDQAIRKTLT-KKUMJFAQSA-N 1 0 294.439 2.109 10 0 CEAERO COc1cc(OC)c([C@@H]2C[NH2+]CC(C)(C)O2)c(OC)c1 ZINC000087090423 179394118 /nfs/dbraw/zinc/39/41/18/179394118.db2.gz AWEIOTOLQAOTMI-ZDUSSCGKSA-N 1 0 281.352 2.152 10 0 CEAERO COCC[NH2+]Cc1cnc(CSCC(C)C)[nH]1 ZINC000087125588 179396488 /nfs/dbraw/zinc/39/64/88/179396488.db2.gz MNHLVMPKALKESE-UHFFFAOYSA-N 1 0 257.403 2.035 10 0 CEAERO CC[NH2+][C@H](CCCS(C)(=O)=O)CSC1CCCC1 ZINC000087145340 179397425 /nfs/dbraw/zinc/39/74/25/179397425.db2.gz VZNOQEHHHNSJTQ-GFCCVEGCSA-N 1 0 293.498 2.465 10 0 CEAERO CC[NH2+]CCc1c(C)nn(CC[C@H]2CCCO2)c1C ZINC000087278218 179407190 /nfs/dbraw/zinc/40/71/90/179407190.db2.gz XVXIFGOLIFJDJD-CQSZACIVSA-N 1 0 265.401 2.221 10 0 CEAERO Cc1nc(CSCC(C)C)nc(C)c1CC[NH3+] ZINC000087125485 179396347 /nfs/dbraw/zinc/39/63/47/179396347.db2.gz BUWLPMKYHDRWLX-UHFFFAOYSA-N 1 0 253.415 2.484 10 0 CEAERO COc1ccc(C)cc1[C@H](C[NH3+])[C@H](O)c1ccco1 ZINC000087352979 179415528 /nfs/dbraw/zinc/41/55/28/179415528.db2.gz SZIMADATTJHSOQ-WFASDCNBSA-N 1 0 261.321 2.373 10 0 CEAERO COc1ccccc1[C@@H](O)[C@H](C[NH3+])c1ccccc1OC ZINC000087371452 179416847 /nfs/dbraw/zinc/41/68/47/179416847.db2.gz JRMPTWNFCYQSNI-RHSMWYFYSA-N 1 0 287.359 2.480 10 0 CEAERO CSc1ccc(C(=O)[C@H]2CCC[N@H+](CCO)C2)cc1 ZINC000067540733 362910338 /nfs/dbraw/zinc/91/03/38/362910338.db2.gz UAGLCRMHCMPKGE-ZDUSSCGKSA-N 1 0 279.405 2.296 10 0 CEAERO [NH3+]C[C@H](c1ccc(F)cc1Cl)[C@H](O)C(F)(F)F ZINC000087380758 179417628 /nfs/dbraw/zinc/41/76/28/179417628.db2.gz FPNBIUBVYNSKQP-APPZFPTMSA-N 1 0 271.641 2.445 10 0 CEAERO COc1cccc([C@H](C[NH3+])[C@@H](O)c2ccccc2OC)c1 ZINC000087380993 179417802 /nfs/dbraw/zinc/41/78/02/179417802.db2.gz IHZMHMZJNNWIDO-RDJZCZTQSA-N 1 0 287.359 2.480 10 0 CEAERO [NH3+]C[C@H](c1cc(F)cc(F)c1)[C@@H](O)c1ccco1 ZINC000087382220 179418118 /nfs/dbraw/zinc/41/81/18/179418118.db2.gz ZOJMGOZSMVXFKH-DGCLKSJQSA-N 1 0 253.248 2.334 10 0 CEAERO CC[C@H](C)c1ccc(S(=O)(=O)N[C@H](C[NH3+])C(C)C)cc1 ZINC000087404724 179420038 /nfs/dbraw/zinc/42/00/38/179420038.db2.gz FRHWOBFZOGQZGO-SWLSCSKDSA-N 1 0 298.452 2.462 10 0 CEAERO CC(C)(C)C[N@@H+]1CCO[C@H](CCNC(=O)C2CCC2)C1 ZINC000067649562 362914762 /nfs/dbraw/zinc/91/47/62/362914762.db2.gz NWESRCUTAVKKQF-CQSZACIVSA-N 1 0 282.428 2.040 10 0 CEAERO CN(CCc1ccccc1)C(=O)C(C)(C)C(C)(C)[NH3+] ZINC000087628104 179458865 /nfs/dbraw/zinc/45/88/65/179458865.db2.gz RNFVLLIGPBJSIQ-UHFFFAOYSA-N 1 0 262.397 2.451 10 0 CEAERO C[C@@H](O)c1ccccc1NC(=O)C(C)(C)C(C)(C)[NH3+] ZINC000087629169 179459078 /nfs/dbraw/zinc/45/90/78/179459078.db2.gz IAOSIYMAFQUDGD-SNVBAGLBSA-N 1 0 264.369 2.442 10 0 CEAERO C[NH2+]C[C@@H]1CCCCN1c1nc(C(C)C)ns1 ZINC000087642581 179462181 /nfs/dbraw/zinc/46/21/81/179462181.db2.gz MGZZMORVDDUXIR-JTQLQIEISA-N 1 0 254.403 2.240 10 0 CEAERO [NH3+][C@@H]1CC[C@](O)(Cc2sccc2Br)C1 ZINC000087654159 179463664 /nfs/dbraw/zinc/46/36/64/179463664.db2.gz ZUANUQMHHYYNCB-GMSGAONNSA-N 1 0 276.199 2.295 10 0 CEAERO CN(C(=O)CCC(C)(C)CC[NH3+])[C@@H]1CCSC1 ZINC000087684240 179470380 /nfs/dbraw/zinc/47/03/80/179470380.db2.gz IYSMTERWAHBZGE-LLVKDONJSA-N 1 0 258.431 2.106 10 0 CEAERO C(C[C@H]1CCCC[NH2+]1)c1nc(C2CCOCC2)no1 ZINC000087810550 179489798 /nfs/dbraw/zinc/48/97/98/179489798.db2.gz DYELWRPFDYSYHU-GFCCVEGCSA-N 1 0 265.357 2.038 10 0 CEAERO Cc1ccc(CNC(=O)[C@@H](C)CCC[C@@H](C)[NH3+])cn1 ZINC000087702057 179473662 /nfs/dbraw/zinc/47/36/62/179473662.db2.gz BYGVFTOZIJJFKE-NWDGAFQWSA-N 1 0 263.385 2.160 10 0 CEAERO COC(=O)C(C)(C)C[C@@H]([NH3+])c1ccc(OC)c(OC)c1 ZINC000087721169 179477249 /nfs/dbraw/zinc/47/72/49/179477249.db2.gz HGLNRIQUYRIAPC-LLVKDONJSA-N 1 0 281.352 2.293 10 0 CEAERO CCC[NH2+]CCc1c(C)nc([C@@H]2CCCO2)nc1C ZINC000087803438 179488302 /nfs/dbraw/zinc/48/83/02/179488302.db2.gz VPADZTHPUDKNFV-AWEZNQCLSA-N 1 0 263.385 2.487 10 0 CEAERO C[C@H]([NH3+])[C@@H](Sc1ncns1)c1ccccn1 ZINC000087513714 179437955 /nfs/dbraw/zinc/43/79/55/179437955.db2.gz ZJGOZOZEJDXAFH-IONNQARKSA-N 1 0 252.368 2.114 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N1CCC[C@@H]1c1ccncc1 ZINC000087515916 179438067 /nfs/dbraw/zinc/43/80/67/179438067.db2.gz RNQKZJIXCKHSRM-ZIAGYGMSSA-N 1 0 261.369 2.120 10 0 CEAERO CCCOC(=O)c1ccc(NC(=O)[C@@H](CC)C[NH3+])cc1 ZINC000087532194 179441604 /nfs/dbraw/zinc/44/16/04/179441604.db2.gz VQEBGEOOQRUYEK-NSHDSACASA-N 1 0 278.352 2.177 10 0 CEAERO CC[C@@H](C[NH3+])c1nc(-c2ccc3c(c2)OCO3)c[nH]1 ZINC000087536546 179442548 /nfs/dbraw/zinc/44/25/48/179442548.db2.gz FDSNVRXITAEPAC-VIFPVBQESA-N 1 0 259.309 2.258 10 0 CEAERO CC[NH2+][C@H]1CCC[C@@H]1c1nc(C2CCOCC2)no1 ZINC000087812832 179490331 /nfs/dbraw/zinc/49/03/31/179490331.db2.gz XKVMAHBHOVDUSP-RYUDHWBXSA-N 1 0 265.357 2.209 10 0 CEAERO CC[NH2+][C@]1(CC(=O)OCC)CCO[C@](C)(CC)C1 ZINC000087548710 179444651 /nfs/dbraw/zinc/44/46/51/179444651.db2.gz HWYZTHPVSSCKFF-KGLIPLIRSA-N 1 0 257.374 2.267 10 0 CEAERO CC[NH2+][C@@](C)(CC(=O)OC)c1ccc2c(c1)OCCCO2 ZINC000087553865 179446293 /nfs/dbraw/zinc/44/62/93/179446293.db2.gz ZFQUAZWQZCJZDS-INIZCTEOSA-N 1 0 293.363 2.236 10 0 CEAERO C[NH2+]CC[C@@](C)(O)c1sccc1Br ZINC000087571879 179447823 /nfs/dbraw/zinc/44/78/23/179447823.db2.gz WKESKSXNNPUOQS-SECBINFHSA-N 1 0 264.188 2.328 10 0 CEAERO C[NH2+][C@@H](Cc1c(Br)c(C)nn1C)CC1CC1 ZINC000087582586 179450562 /nfs/dbraw/zinc/45/05/62/179450562.db2.gz JAJRKQHCZBAKTE-SNVBAGLBSA-N 1 0 286.217 2.422 10 0 CEAERO CCOC1CC[NH+](CCC(C)(C)C(N)=S)CC1 ZINC000087590946 179451121 /nfs/dbraw/zinc/45/11/21/179451121.db2.gz IVEYNGOPZUIUEF-UHFFFAOYSA-N 1 0 258.431 2.190 10 0 CEAERO COc1cc(OC)cc(OCCC(C)(C)C[NH3+])c1 ZINC000087591226 179451454 /nfs/dbraw/zinc/45/14/54/179451454.db2.gz ZGDDSKOCBHNHED-UHFFFAOYSA-N 1 0 253.342 2.458 10 0 CEAERO COc1ccc([C@H](C[NH3+])NCC2CC2)c(Cl)c1OC ZINC000087912306 179520694 /nfs/dbraw/zinc/52/06/94/179520694.db2.gz LNZPAFRGAGGZDH-NSHDSACASA-N 1 0 284.787 2.357 10 0 CEAERO c1c[nH]c([C@H]2C[N@H+](Cc3ccccc3)CCCO2)n1 ZINC000616651047 348547742 /nfs/dbraw/zinc/54/77/42/348547742.db2.gz IUDMIHBQDGYWBY-CQSZACIVSA-N 1 0 257.337 2.373 10 0 CEAERO CC[N@@H+]1CCCO[C@@H](c2cccc3ccnnc32)C1 ZINC000616653668 348549245 /nfs/dbraw/zinc/54/92/45/348549245.db2.gz SVCBGDVOKYKYEI-CQSZACIVSA-N 1 0 257.337 2.413 10 0 CEAERO CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2C[NH2+]CCN2)cc1 ZINC000616655723 348549840 /nfs/dbraw/zinc/54/98/40/348549840.db2.gz ZHFVPBHXTCIQSN-AWEZNQCLSA-N 1 0 291.395 2.292 10 0 CEAERO C[C@H](C(=O)c1ccc(Cl)s1)N(C)CC[NH+](C)C ZINC000104187068 185919681 /nfs/dbraw/zinc/91/96/81/185919681.db2.gz VTVYYWXQDSFTGI-SECBINFHSA-N 1 0 274.817 2.466 10 0 CEAERO COc1ccc(Cn2nc(C)c(C)c2C)cc1C(N)=[NH2+] ZINC000087828180 179496601 /nfs/dbraw/zinc/49/66/01/179496601.db2.gz QKXFAEXHVFVMRQ-UHFFFAOYSA-N 1 0 272.352 2.149 10 0 CEAERO O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccccc1)C1CCC1 ZINC000616569866 348523458 /nfs/dbraw/zinc/52/34/58/348523458.db2.gz KVWZSCYVJOEPPB-GJZGRUSLSA-N 1 0 258.365 2.048 10 0 CEAERO CCC[NH2+][C@H](CCC(F)(F)F)[C@H]1COCCO1 ZINC000087858481 179503151 /nfs/dbraw/zinc/50/31/51/179503151.db2.gz ZVKGUFIOOFKDRO-NXEZZACHSA-N 1 0 255.280 2.113 10 0 CEAERO CC(C)=CC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000616572950 348524084 /nfs/dbraw/zinc/52/40/84/348524084.db2.gz XTBIRXGZWYUWAW-LSDHHAIUSA-N 1 0 276.355 2.354 10 0 CEAERO CC(C)(C)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000616572148 348524102 /nfs/dbraw/zinc/52/41/02/348524102.db2.gz VNMIJXDRUUOMHZ-UONOGXRCSA-N 1 0 278.371 2.434 10 0 CEAERO [NH3+]C[C@@H](n1cc(Cl)cn1)C(F)(F)C(F)(F)F ZINC000616571326 348524128 /nfs/dbraw/zinc/52/41/28/348524128.db2.gz WUZVFMXVBJQDSY-RXMQYKEDSA-N 1 0 263.597 2.234 10 0 CEAERO CC(C)=CC(=O)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000616572948 348524236 /nfs/dbraw/zinc/52/42/36/348524236.db2.gz XTBIRXGZWYUWAW-GJZGRUSLSA-N 1 0 276.355 2.354 10 0 CEAERO CC(=O)N1CC2(C[C@H]1Cc1ccccc1)CC[NH2+]CC2 ZINC000616578375 348525412 /nfs/dbraw/zinc/52/54/12/348525412.db2.gz LVLGRABLIWCJEE-MRXNPFEDSA-N 1 0 272.392 2.220 10 0 CEAERO NNc1nc(Nc2ccc(Cl)c(F)c2)c(F)c[nH+]1 ZINC000087865212 179504932 /nfs/dbraw/zinc/50/49/32/179504932.db2.gz MBUNLQZVUHCWEJ-UHFFFAOYSA-N 1 0 271.658 2.437 10 0 CEAERO CCCc1ncc(C(=O)OC)c([C@H]2CCCC[NH2+]2)n1 ZINC000616580668 348526200 /nfs/dbraw/zinc/52/62/00/348526200.db2.gz ZSZSJVFIXZGSKI-LLVKDONJSA-N 1 0 263.341 2.030 10 0 CEAERO CSc1nc(O[C@@H]2CCC[C@H](C)C2)cc(NN)[nH+]1 ZINC000087877402 179507432 /nfs/dbraw/zinc/50/74/32/179507432.db2.gz HIQCVZRHFPEESY-DTWKUNHWSA-N 1 0 268.386 2.442 10 0 CEAERO CC[C@@H]1CCCC[C@H]1Oc1cc(NN)[nH+]c(C)n1 ZINC000087878011 179507705 /nfs/dbraw/zinc/50/77/05/179507705.db2.gz JPWOKGBXEAHUQE-GHMZBOCLSA-N 1 0 250.346 2.418 10 0 CEAERO CC(=O)Nc1cccc([C@@H]2CCC[N@H+](CCO)CC2)c1 ZINC000616600415 348530431 /nfs/dbraw/zinc/53/04/31/348530431.db2.gz DXLIRUVDOIULNX-CQSZACIVSA-N 1 0 276.380 2.207 10 0 CEAERO OCC[N@@H+]1CCC[C@@H](c2cc3ccccc3nn2)CC1 ZINC000616601020 348530808 /nfs/dbraw/zinc/53/08/08/348530808.db2.gz JWFSEBQYDGGEHZ-CYBMUJFWSA-N 1 0 271.364 2.192 10 0 CEAERO CC(=O)Nc1cccc([C@H]2C[N@@H+](C(C)(C)C)CCN2)c1 ZINC000616601854 348530992 /nfs/dbraw/zinc/53/09/92/348530992.db2.gz VGNCQPUTLKCQOQ-OAHLLOKOSA-N 1 0 275.396 2.390 10 0 CEAERO CC(=O)Nc1ccccc1[C@@H]1C[NH2+]CCN1C(C)(C)C ZINC000616602734 348532163 /nfs/dbraw/zinc/53/21/63/348532163.db2.gz BBUQKEYRCFKJPN-HNNXBMFYSA-N 1 0 275.396 2.390 10 0 CEAERO [NH3+]CCN1CCCCC[C@H]1c1cccc(CCO)c1 ZINC000616625515 348538653 /nfs/dbraw/zinc/53/86/53/348538653.db2.gz OWJFIJLPEQMRDI-INIZCTEOSA-N 1 0 262.397 2.097 10 0 CEAERO C[NH2+]Cc1ccnc([C@@H]2CCOc3ccccc32)n1 ZINC000088039519 179537539 /nfs/dbraw/zinc/53/75/39/179537539.db2.gz FZJQRIRNJAUIEH-CYBMUJFWSA-N 1 0 255.321 2.110 10 0 CEAERO Cc1cc(C[C@H](C)[NH3+])nc([C@H]2COc3ccccc3C2)n1 ZINC000088040513 179538003 /nfs/dbraw/zinc/53/80/03/179538003.db2.gz BTJBTFQLHRJLHO-SMDDNHRTSA-N 1 0 283.375 2.393 10 0 CEAERO Cc1ncc(C[C@]2([NH3+])COc3ccccc3C2)s1 ZINC000088044444 179539393 /nfs/dbraw/zinc/53/93/93/179539393.db2.gz JLEIYXVALPGZOI-AWEZNQCLSA-N 1 0 260.362 2.327 10 0 CEAERO C[C@H](C[NH3+])[S@@](=O)Cc1ccccc1Br ZINC000088067546 179543831 /nfs/dbraw/zinc/54/38/31/179543831.db2.gz GAHRVHVREDCUEG-XLKFXECMSA-N 1 0 276.199 2.045 10 0 CEAERO C[C@H](C[NH3+])[S@](=O)Cc1ccc(F)c(Br)c1 ZINC000088068285 179544267 /nfs/dbraw/zinc/54/42/67/179544267.db2.gz VTZIFTFPTPXNQY-MLXNANBUSA-N 1 0 294.189 2.184 10 0 CEAERO C[C@@H]1CC[C@H]([NH3+])[C@H](C(=O)N(C)CC2CCCC2)C1 ZINC000088149666 179557342 /nfs/dbraw/zinc/55/73/42/179557342.db2.gz VRZNUZKEVKVGNA-BNOWGMLFSA-N 1 0 252.402 2.399 10 0 CEAERO [NH3+][C@H]1CCCc2c(O[C@H]3CCCCNC3=O)cccc21 ZINC000088151015 179557822 /nfs/dbraw/zinc/55/78/22/179557822.db2.gz GLQZRAYODIOSHS-ZFWWWQNUSA-N 1 0 274.364 2.070 10 0 CEAERO c1onnc1[C@@H]1CC[N@H+](Cc2ccccc2)CCO1 ZINC000616664047 348554258 /nfs/dbraw/zinc/55/42/58/348554258.db2.gz MJIXLIDEHCUQDM-AWEZNQCLSA-N 1 0 259.309 2.033 10 0 CEAERO c1ccc(C[N@@H+]2CCO[C@H](c3ccncn3)CC2)cc1 ZINC000616664684 348554423 /nfs/dbraw/zinc/55/44/23/348554423.db2.gz SFIXWAIBHXPPIV-INIZCTEOSA-N 1 0 269.348 2.440 10 0 CEAERO C[NH2+]C1(Cc2nc3ccc(OC)nc3[nH]2)CCCCC1 ZINC000088192740 179562906 /nfs/dbraw/zinc/56/29/06/179562906.db2.gz JWQQBILDSKQSAE-UHFFFAOYSA-N 1 0 274.368 2.431 10 0 CEAERO [NH3+]CCN1CC[C@@H](c2ccc(CO)cc2)c2ccccc21 ZINC000616675242 348557399 /nfs/dbraw/zinc/55/73/99/348557399.db2.gz PSLLYYWBYNUCPG-INIZCTEOSA-N 1 0 282.387 2.480 10 0 CEAERO OCC[N@@H+]1CCc2ccccc2[C@@H]1c1ccccc1CO ZINC000616678402 348558340 /nfs/dbraw/zinc/55/83/40/348558340.db2.gz HLUHQBDBTBMZRP-GOSISDBHSA-N 1 0 283.371 2.119 10 0 CEAERO C[C@@H]1CCC[C@@H](S(=O)(=O)CC2(CC[NH3+])CC2)C1 ZINC000088272368 179572993 /nfs/dbraw/zinc/57/29/93/179572993.db2.gz FNYYJGNVTOZXNW-VXGBXAGGSA-N 1 0 259.415 2.109 10 0 CEAERO CC(C)C[C@@H](C[NH3+])CC(=O)NC[C@@H]1Cc2ccccc21 ZINC000088276881 179574563 /nfs/dbraw/zinc/57/45/63/179574563.db2.gz IIGIRIRIJCMVDA-HIFRSBDPSA-N 1 0 274.408 2.454 10 0 CEAERO C[C@@H]1CC[C@@H](C(=O)N2CCC[C@H](C(F)(F)F)C2)C[NH2+]1 ZINC000088431575 179598732 /nfs/dbraw/zinc/59/87/32/179598732.db2.gz VHKTYQCHTHEGOV-MXWKQRLJSA-N 1 0 278.318 2.175 10 0 CEAERO COc1ccc(-c2c[nH]c([C@@H]3CC[NH2+]C3)n2)c(OC)c1 ZINC000088351492 179581204 /nfs/dbraw/zinc/58/12/04/179581204.db2.gz VQOXJUFCXGTEEG-SNVBAGLBSA-N 1 0 273.336 2.171 10 0 CEAERO Cn1ncnc1COc1ccccc1C[NH2+]C(C)(C)C ZINC000088571778 179628264 /nfs/dbraw/zinc/62/82/64/179628264.db2.gz UZPWXSFKXMMVFN-UHFFFAOYSA-N 1 0 274.368 2.282 10 0 CEAERO C[NH2+][C@@H](Cc1ncnn1C)Cc1ccc(Cl)c(Cl)c1 ZINC000088581996 179629143 /nfs/dbraw/zinc/62/91/43/179629143.db2.gz IXECZMLPJMYZEA-SNVBAGLBSA-N 1 0 299.205 2.495 10 0 CEAERO CCC(CC)(C[NH2+]CC(C)C)Cc1ncnn1C ZINC000088583247 179630329 /nfs/dbraw/zinc/63/03/29/179630329.db2.gz QPNVGHZACURALI-UHFFFAOYSA-N 1 0 252.406 2.410 10 0 CEAERO CCn1ncnc1C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]C ZINC000088597814 179633347 /nfs/dbraw/zinc/63/33/47/179633347.db2.gz FINOKUZGWDOLLU-XJKSGUPXSA-N 1 0 270.380 2.364 10 0 CEAERO C[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(CC[NH3+])cc2)C1 ZINC000088705407 179653240 /nfs/dbraw/zinc/65/32/40/179653240.db2.gz IKHCACOMPYTCIB-CHWSQXEVSA-N 1 0 260.381 2.448 10 0 CEAERO CCCn1ncnc1C[C@H]([NH2+]C)c1ccc(OC)cc1 ZINC000088609835 179637388 /nfs/dbraw/zinc/63/73/88/179637388.db2.gz WNJCLTFNGOTWKO-AWEZNQCLSA-N 1 0 274.368 2.200 10 0 CEAERO CCn1ncnc1CN1C[C@@H](C(C)(C)C)[NH2+]C[C@@H]1C(C)C ZINC000088625431 179642378 /nfs/dbraw/zinc/64/23/78/179642378.db2.gz QDLFSGCRRLIGFI-KGLIPLIRSA-N 1 0 293.459 2.143 10 0 CEAERO CC[C@@H]1C[NH2+]C(CC)(CC)CN1Cc1ncnn1CC ZINC000088625696 179643022 /nfs/dbraw/zinc/64/30/22/179643022.db2.gz YMSYVJJFTGIBJT-CYBMUJFWSA-N 1 0 279.432 2.041 10 0 CEAERO C[C@H]1CN(Cc2ccncc2Cl)C(C)(C)C[NH2+]1 ZINC000088791397 179672708 /nfs/dbraw/zinc/67/27/08/179672708.db2.gz WJENCPMGZKCELQ-JTQLQIEISA-N 1 0 253.777 2.307 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1C(=O)c1cccc2cc[nH]c21 ZINC000088732290 179660234 /nfs/dbraw/zinc/66/02/34/179660234.db2.gz ZBQRXKWLJZXFTL-LBPRGKRZSA-N 1 0 257.337 2.121 10 0 CEAERO COc1ccc(-c2nnc(CCC[NH3+])s2)cc1OC ZINC000088809317 179675831 /nfs/dbraw/zinc/67/58/31/179675831.db2.gz YVBRDGXJVWNRAY-UHFFFAOYSA-N 1 0 279.365 2.114 10 0 CEAERO CC(C)CNS(=O)(=O)c1ccc(CC[NH2+]C(C)C)cc1 ZINC000088980395 179689238 /nfs/dbraw/zinc/68/92/38/179689238.db2.gz CHHFXFXRPLJSBY-UHFFFAOYSA-N 1 0 298.452 2.161 10 0 CEAERO CC(C)C[C@H](C[NH3+])CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000088277320 539671030 /nfs/dbraw/zinc/67/10/30/539671030.db2.gz SOCTZZZPCUXDSC-ZNMIVQPWSA-N 1 0 282.428 2.168 10 0 CEAERO CCc1c(Cl)ncnc1NC[C@H]1CC[N@@H+](CC)C1 ZINC000104229493 185936540 /nfs/dbraw/zinc/93/65/40/185936540.db2.gz FUHVMZLAFOSRER-SNVBAGLBSA-N 1 0 268.792 2.446 10 0 CEAERO CN(C(=O)c1cccc2cc[nH]c21)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089110383 179705374 /nfs/dbraw/zinc/70/53/74/179705374.db2.gz YXWPJFXFQQMNAY-OCCSQVGLSA-N 1 0 271.364 2.367 10 0 CEAERO CN(C(=O)c1cccc(F)c1F)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089110816 179706033 /nfs/dbraw/zinc/70/60/33/179706033.db2.gz JDJIVUKTPGWNHL-JOYOIKCWSA-N 1 0 268.307 2.164 10 0 CEAERO CCN(C(=O)Cc1ccsc1)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089113957 179708582 /nfs/dbraw/zinc/70/85/82/179708582.db2.gz VBVSVTNGZZWCIB-OLZOCXBDSA-N 1 0 266.410 2.267 10 0 CEAERO CCN(c1cccc(Cl)c1C(N)=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089116614 179710169 /nfs/dbraw/zinc/71/01/69/179710169.db2.gz WYOZAZLUFKNDAN-ZYHUDNBSSA-N 1 0 295.814 2.393 10 0 CEAERO CN(C(=O)Cc1ccc(F)cc1)[C@H]1CCCC[C@H]1C[NH3+] ZINC000089118752 179711061 /nfs/dbraw/zinc/71/10/61/179711061.db2.gz YCPCXNIZKQLLOH-ZFWWWQNUSA-N 1 0 278.371 2.344 10 0 CEAERO Cc1occc1C(=O)N(C)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089118594 179711367 /nfs/dbraw/zinc/71/13/67/179711367.db2.gz VQBAQOMXLVLRJQ-WCQYABFASA-N 1 0 250.342 2.178 10 0 CEAERO COc1ccccc1CC(=O)N(C)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089119804 179711993 /nfs/dbraw/zinc/71/19/93/179711993.db2.gz MNIKNZYEVDBWFD-CABCVRRESA-N 1 0 290.407 2.214 10 0 CEAERO CC(=O)Nc1ccc(F)c(N[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000089148209 179723764 /nfs/dbraw/zinc/72/37/64/179723764.db2.gz QWLKRZXQHNPRRI-GWCFXTLKSA-N 1 0 265.332 2.323 10 0 CEAERO Cc1nc(-c2ccccc2N[C@@H]2CCC[C@H]2C[NH3+])n[nH]1 ZINC000089148786 179724726 /nfs/dbraw/zinc/72/47/26/179724726.db2.gz ROZDLJZYMHFCLN-WCQYABFASA-N 1 0 271.368 2.319 10 0 CEAERO COC(=O)c1cc(N[C@@H]2CCC[C@H]2C[NH3+])c(F)cc1F ZINC000089149310 179725379 /nfs/dbraw/zinc/72/53/79/179725379.db2.gz XQOSXWHZACCUOZ-QPUJVOFHSA-N 1 0 284.306 2.291 10 0 CEAERO Cn1nc(COC[C@@H]2CCCC[NH2+]2)c2ccccc21 ZINC000089175139 179740272 /nfs/dbraw/zinc/74/02/72/179740272.db2.gz BMPYIKMBYBRXGT-LBPRGKRZSA-N 1 0 259.353 2.232 10 0 CEAERO CCn1nc(C[C@H]([NH2+]C)c2ncccn2)c2ccccc21 ZINC000089177568 179742943 /nfs/dbraw/zinc/74/29/43/179742943.db2.gz GBMDGRLELBCHOH-AWEZNQCLSA-N 1 0 281.363 2.349 10 0 CEAERO Cc1cc(CN(CCC[NH3+])c2cccc(C)c2)n(C)n1 ZINC000089181617 179744977 /nfs/dbraw/zinc/74/49/77/179744977.db2.gz SMCBZEGWLUDYDD-UHFFFAOYSA-N 1 0 272.396 2.392 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2C[C@H]1Cc1cc(C)nn1C ZINC000089187206 179747939 /nfs/dbraw/zinc/74/79/39/179747939.db2.gz BUAUBBQDNKTMBN-BBRMVZONSA-N 1 0 255.365 2.404 10 0 CEAERO CCC1(C)CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089462211 539719171 /nfs/dbraw/zinc/71/91/71/539719171.db2.gz ZRXUGHNOYVXKEP-QWHCGFSZSA-N 1 0 252.402 2.400 10 0 CEAERO CCC[NH2+][C@H](Cc1c(Cl)c(C)nn1C)[C@@H]1CCOC1 ZINC000089252191 179760814 /nfs/dbraw/zinc/76/08/14/179760814.db2.gz ZLKJHQIOYUHMEZ-VXGBXAGGSA-N 1 0 285.819 2.329 10 0 CEAERO COC1(CO)CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000401755778 233185095 /nfs/dbraw/zinc/18/50/95/233185095.db2.gz QXSFVNVYSIOURS-GFCCVEGCSA-N 1 0 277.355 2.285 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)N1CCc2sccc2C1 ZINC000089448573 539715841 /nfs/dbraw/zinc/71/58/41/539715841.db2.gz LUVSQHWLPNYVOB-PWSUYJOCSA-N 1 0 264.394 2.008 10 0 CEAERO CCc1cc(C[C@@H]([NH3+])[C@@H]2Cc3ccccc32)n(C)n1 ZINC000089198501 179751787 /nfs/dbraw/zinc/75/17/87/179751787.db2.gz MMZDSIUAYKGKJL-HZPDHXFCSA-N 1 0 255.365 2.192 10 0 CEAERO CCC[NH2+][C@H](Cc1cc(C)nn1CC)[C@@H]1CCCO1 ZINC000089199329 179752165 /nfs/dbraw/zinc/75/21/65/179752165.db2.gz BXTXYXLVRMCCLM-CABCVRRESA-N 1 0 265.401 2.301 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000089448745 539716369 /nfs/dbraw/zinc/71/63/69/539716369.db2.gz ZVCZEDTXKQGBFK-ULRUDBTPSA-N 1 0 276.424 2.446 10 0 CEAERO CCN(CCc1ccccc1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089457025 539717585 /nfs/dbraw/zinc/71/75/85/539717585.db2.gz GUWYOXBCSOTSFF-CVEARBPZSA-N 1 0 274.408 2.453 10 0 CEAERO Cc1cc(Cn2cc(C[NH3+])c3ccccc32)n(C)n1 ZINC000089207440 179754298 /nfs/dbraw/zinc/75/42/98/179754298.db2.gz CZSLJNBNKABQDF-UHFFFAOYSA-N 1 0 254.337 2.190 10 0 CEAERO CC[C@@H](C)[C@@H]1C[NH2+]C(C)(C)CN1Cc1cc(C)nn1C ZINC000089209471 179755373 /nfs/dbraw/zinc/75/53/73/179755373.db2.gz CDUYJORNCIVOOM-DOMZBBRYSA-N 1 0 278.444 2.327 10 0 CEAERO CCc1nn(CC)c(COC[C@@H]2CCC[NH2+]2)c1Cl ZINC000089351143 179772264 /nfs/dbraw/zinc/77/22/64/179772264.db2.gz YECIFJXKXHRZMC-JTQLQIEISA-N 1 0 271.792 2.387 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@@H]1C(=O)NCCc1ccccc1 ZINC000089386358 179777767 /nfs/dbraw/zinc/77/77/67/179777767.db2.gz KFOPQAHCGIBCQU-CABCVRRESA-N 1 0 260.381 2.110 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1CCCC[C@@H]1C[NH3+])c1ccco1 ZINC000089387999 179777984 /nfs/dbraw/zinc/77/79/84/179777984.db2.gz DQQAHQZOUFXZAW-IJLUTSLNSA-N 1 0 250.342 2.222 10 0 CEAERO Cc1csc(NC(=O)[C@@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000089386870 179778131 /nfs/dbraw/zinc/77/81/31/179778131.db2.gz KWDCGUINDHYBFG-NXEZZACHSA-N 1 0 253.371 2.155 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCc1ccccc1Cl ZINC000089449082 179791834 /nfs/dbraw/zinc/79/18/34/179791834.db2.gz SLKAPNCNIKSBAD-PWSUYJOCSA-N 1 0 266.772 2.331 10 0 CEAERO CC(C)(CC[NH3+])CCC(=O)NC[C@@H]1CCCC[C@H]1CO ZINC000089534439 179811919 /nfs/dbraw/zinc/81/19/19/179811919.db2.gz LHVUUQWJMLRUIO-KBPBESRZSA-N 1 0 284.444 2.057 10 0 CEAERO Cc1cc2ncnn2c(OC[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000089538023 179813298 /nfs/dbraw/zinc/81/32/98/179813298.db2.gz RNUFBSZVVHRINU-STQMWFEESA-N 1 0 274.368 2.182 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1COc1ncnc2ccccc21 ZINC000089538803 179813593 /nfs/dbraw/zinc/81/35/93/179813593.db2.gz KADQAPWRYTTYDD-RYUDHWBXSA-N 1 0 257.337 2.384 10 0 CEAERO CCc1ccc(C(=O)NC[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089500693 179804975 /nfs/dbraw/zinc/80/49/75/179804975.db2.gz DUPAUDSFICDVOI-LSDHHAIUSA-N 1 0 260.381 2.354 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1CNC(=O)c1cc(F)ccc1F ZINC000089500478 179804976 /nfs/dbraw/zinc/80/49/76/179804976.db2.gz JIWDBUSVLZOXGV-ZJUUUORDSA-N 1 0 268.307 2.070 10 0 CEAERO Cc1cccc(C(=O)NC[C@H]2CCC[C@H]2C[NH3+])c1C ZINC000089500701 179804984 /nfs/dbraw/zinc/80/49/84/179804984.db2.gz OGIHMZXJPGYLMX-UONOGXRCSA-N 1 0 260.381 2.408 10 0 CEAERO Cc1cccc(NC(=O)NC[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000089500864 179805476 /nfs/dbraw/zinc/80/54/76/179805476.db2.gz YLMREVNRWXXLDE-STQMWFEESA-N 1 0 261.369 2.492 10 0 CEAERO COc1ccc([C@H](O)C[NH2+]C[C@@H]2CCCC[C@@H]2CO)cc1 ZINC000089531062 179811134 /nfs/dbraw/zinc/81/11/34/179811134.db2.gz XIIFDBMBQHRYRU-ZMSDIMECSA-N 1 0 293.407 2.117 10 0 CEAERO CCn1nc(C)c(-c2c[nH]c(C[C@@H]3CC[NH2+]C3)n2)c1C ZINC000089749687 179858811 /nfs/dbraw/zinc/85/88/11/179858811.db2.gz FWIJFDVZEREOQP-LBPRGKRZSA-N 1 0 273.384 2.062 10 0 CEAERO CCCC1([NH3+])CN(C(=O)c2cc(F)ccc2C)C1 ZINC000089655212 179841744 /nfs/dbraw/zinc/84/17/44/179841744.db2.gz RGWLXPMSNMQGGX-UHFFFAOYSA-N 1 0 250.317 2.088 10 0 CEAERO c1ccc(C2(c3noc(C[C@@H]4CC[NH2+]C4)n3)CC2)cc1 ZINC000089713641 179852496 /nfs/dbraw/zinc/85/24/96/179852496.db2.gz VHMLHOWHRPVXER-LBPRGKRZSA-N 1 0 269.348 2.302 10 0 CEAERO COc1cccc([C@@H]2C[NH2+]C[C@H]2NC(=O)OC(C)(C)C)c1 ZINC000068575223 362944763 /nfs/dbraw/zinc/94/47/63/362944763.db2.gz HTRFINCTPOSBHF-UONOGXRCSA-N 1 0 292.379 2.275 10 0 CEAERO CCC1(CC)CCN([C@H](C[NH3+])c2cncn2C)CC1 ZINC000090167931 179924023 /nfs/dbraw/zinc/92/40/23/179924023.db2.gz IGEVBIILQRUUBI-CYBMUJFWSA-N 1 0 264.417 2.322 10 0 CEAERO Cc1cc(C)c([C@@H](C)[NH2+]C[C@](C)(O)CO)c(C)c1 ZINC000090285227 179949331 /nfs/dbraw/zinc/94/93/31/179949331.db2.gz OSALBKUYFYYRBC-HIFRSBDPSA-N 1 0 251.370 2.006 10 0 CEAERO CCCN(C(=O)c1cccc(OC(F)F)c1)C1C[NH2+]C1 ZINC000090293035 179951918 /nfs/dbraw/zinc/95/19/18/179951918.db2.gz UNRLIWXFZPBNQO-UHFFFAOYSA-N 1 0 284.306 2.112 10 0 CEAERO CCCN(c1ncnc2sc(CC)cc21)C1C[NH2+]C1 ZINC000090294185 179952030 /nfs/dbraw/zinc/95/20/30/179952030.db2.gz PDNYAKFJWCYEEA-UHFFFAOYSA-N 1 0 276.409 2.442 10 0 CEAERO O=C(Nc1ccccc1Cl)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090321730 179957720 /nfs/dbraw/zinc/95/77/20/179957720.db2.gz PXRAYWHOQBRUBO-UWVGGRQHSA-N 1 0 265.744 2.023 10 0 CEAERO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C(=O)Cc1c(F)cccc1Cl ZINC000090325679 179959123 /nfs/dbraw/zinc/95/91/23/179959123.db2.gz GPPSBTBTXAQESD-CKYFFXLPSA-N 1 0 296.773 2.088 10 0 CEAERO C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1c1nccc2sccc21 ZINC000090328325 179959582 /nfs/dbraw/zinc/95/95/82/179959582.db2.gz JQIRHYVAWBQNOK-FOGDFJRCSA-N 1 0 259.378 2.340 10 0 CEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1c1ncnc2ccccc21 ZINC000090334307 179964509 /nfs/dbraw/zinc/96/45/09/179964509.db2.gz ODCYDSUXYZVLOP-OSAQELSMSA-N 1 0 268.364 2.064 10 0 CEAERO COc1ccc([C@@H](C)N2CC[NH2+][C@H](C3CC3)C2)cc1 ZINC000090340893 179967925 /nfs/dbraw/zinc/96/79/25/179967925.db2.gz LUBKWZORFRURNK-WBMJQRKESA-N 1 0 260.381 2.440 10 0 CEAERO C[C@@H]([NH3+])CCS[C@@H](C)C(=O)Nc1ccccc1 ZINC000090345936 179970161 /nfs/dbraw/zinc/97/01/61/179970161.db2.gz QVGFSBWALQGRCW-MNOVXSKESA-N 1 0 252.383 2.484 10 0 CEAERO C[C@H]([NH3+])CCSCC(=O)N1c2ccccc2C[C@@H]1C ZINC000090346068 179970789 /nfs/dbraw/zinc/97/07/89/179970789.db2.gz QYMWIKLADYATOO-RYUDHWBXSA-N 1 0 278.421 2.435 10 0 CEAERO C[C@@H](C[NH3+])CSCC(=O)NCc1ccc(Cl)cc1 ZINC000090349554 179971535 /nfs/dbraw/zinc/97/15/35/179971535.db2.gz KUDUQYYNNOOWNK-JTQLQIEISA-N 1 0 286.828 2.284 10 0 CEAERO CC(C)CC[C@@H](C)NC(=O)CSC[C@@H](C)C[NH3+] ZINC000090350955 179972804 /nfs/dbraw/zinc/97/28/04/179972804.db2.gz YRBRDXRMFQHCNX-NWDGAFQWSA-N 1 0 260.447 2.255 10 0 CEAERO CCOc1ccc(NC(=O)CS[C@H](C)CC[NH3+])cc1 ZINC000090355029 179974333 /nfs/dbraw/zinc/97/43/33/179974333.db2.gz DSCVBSBIYNUDKC-LLVKDONJSA-N 1 0 282.409 2.494 10 0 CEAERO C[C@@H](S[C@@H](C)CC[NH3+])C(=O)NC1CCCCC1 ZINC000090355192 179974390 /nfs/dbraw/zinc/97/43/90/179974390.db2.gz MCNZJQJQMUJJSF-WDEREUQCSA-N 1 0 258.431 2.294 10 0 CEAERO CC[C@@H]([NH3+])CSCC(=O)NC1CCC(C)CC1 ZINC000090356685 179974993 /nfs/dbraw/zinc/97/49/93/179974993.db2.gz NJVGAJTWFJKLHE-MOENNCHZSA-N 1 0 258.431 2.152 10 0 CEAERO CCCOc1ccc(NC(=O)[C@H]2COC[C@@H]2[NH2+]CC)cc1 ZINC000090492143 179991944 /nfs/dbraw/zinc/99/19/44/179991944.db2.gz WPMSSDNVRWNZLE-GJZGRUSLSA-N 1 0 292.379 2.038 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)N(CC)c1ccccc1F ZINC000090544473 180000940 /nfs/dbraw/zinc/00/09/40/180000940.db2.gz HWINPYQDWPEEBW-OCCSQVGLSA-N 1 0 294.370 2.193 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)Nc1nc(C(C)C)cs1 ZINC000090543841 180001214 /nfs/dbraw/zinc/00/12/14/180001214.db2.gz LFTKMIBHPYBIBX-MNOVXSKESA-N 1 0 297.424 2.220 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)N(CC)c1ccc(F)cc1 ZINC000090544475 180001299 /nfs/dbraw/zinc/00/12/99/180001299.db2.gz AHYNNZLPEPRNBJ-GJZGRUSLSA-N 1 0 294.370 2.193 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1CN(CC(F)(F)F)C(C)C ZINC000090566617 180006534 /nfs/dbraw/zinc/00/65/34/180006534.db2.gz YEYUNAWKVPJJAA-NEPJUHHUSA-N 1 0 282.350 2.274 10 0 CEAERO CC(C)c1ccc(-c2noc([C@]3(C)COC[C@@H]3[NH3+])n2)cc1 ZINC000090573417 180008049 /nfs/dbraw/zinc/00/80/49/180008049.db2.gz UOKQXLAEXJRAPV-XJKSGUPXSA-N 1 0 287.363 2.475 10 0 CEAERO CC[NH2+][C@H]1C(=O)Nc2cc(SCCCOC)ccc21 ZINC000104439397 186002486 /nfs/dbraw/zinc/00/24/86/186002486.db2.gz RNOFTQYNZDTMPG-CYBMUJFWSA-N 1 0 280.393 2.418 10 0 CEAERO COC(C[C@H](C[NH3+])N(Cc1ccsc1)C1CC1)OC ZINC000090625155 180015717 /nfs/dbraw/zinc/01/57/17/180015717.db2.gz CZHGVURSWITUCK-CYBMUJFWSA-N 1 0 284.425 2.049 10 0 CEAERO C[NH+]1CCN(CCCOc2ccc(C=O)cc2Cl)CC1 ZINC000090668999 180020441 /nfs/dbraw/zinc/02/04/41/180020441.db2.gz AKBLPAKXQFXCIJ-UHFFFAOYSA-N 1 0 296.798 2.169 10 0 CEAERO CCOC(=O)[C@](C)([NH3+])CCCCO[C@@H](C)C(F)(F)F ZINC000090674336 180021856 /nfs/dbraw/zinc/02/18/56/180021856.db2.gz VNABBYBBEFLORY-GXSJLCMTSA-N 1 0 285.306 2.405 10 0 CEAERO CC(C)NC(=O)N1CCCSC[C@H]1C[NH+]1CCCC1 ZINC000090700975 180028089 /nfs/dbraw/zinc/02/80/89/180028089.db2.gz IEYIXLRWSZGTQZ-CYBMUJFWSA-N 1 0 285.457 2.008 10 0 CEAERO CS[C@@H](C)C[NH2+][C@H]1CCCc2[nH]c(=O)ccc21 ZINC000090725946 180032989 /nfs/dbraw/zinc/03/29/89/180032989.db2.gz JBJQREBGAUQPMQ-ONGXEEELSA-N 1 0 252.383 2.093 10 0 CEAERO C[C@H](NC(=O)N1CC([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000090765429 180037617 /nfs/dbraw/zinc/03/76/17/180037617.db2.gz UUNXGWIUNZCZOM-QMMMGPOBSA-N 1 0 287.285 2.119 10 0 CEAERO [NH3+]CCc1ccc(Nc2ncncc2Br)cc1 ZINC000090783152 180039608 /nfs/dbraw/zinc/03/96/08/180039608.db2.gz YTQOMMHIXTXYFC-UHFFFAOYSA-N 1 0 293.168 2.484 10 0 CEAERO CCCOc1cc(NC[C@H]([NH3+])c2ccccc2)ncn1 ZINC000090785167 180040148 /nfs/dbraw/zinc/04/01/48/180040148.db2.gz OZWWJCGKOZGQNY-ZDUSSCGKSA-N 1 0 272.352 2.377 10 0 CEAERO CCOc1cc(NC[C@H]2CCCC[C@H]2C[NH3+])ncn1 ZINC000090784832 180040320 /nfs/dbraw/zinc/04/03/20/180040320.db2.gz PAVHTSYKNVPMSV-NWDGAFQWSA-N 1 0 264.373 2.052 10 0 CEAERO CC(C)Oc1cc(NC[C@@H]2CCCC[C@@H]2C[NH3+])ncn1 ZINC000090786672 180040488 /nfs/dbraw/zinc/04/04/88/180040488.db2.gz JLDRPPYDPGNHDD-OLZOCXBDSA-N 1 0 278.400 2.441 10 0 CEAERO CC(C)Oc1cc(NC[C@H]2CCC[C@H]2C[NH3+])ncn1 ZINC000090786671 180040517 /nfs/dbraw/zinc/04/05/17/180040517.db2.gz AKRBIDSZDLIXJE-NWDGAFQWSA-N 1 0 264.373 2.051 10 0 CEAERO COc1cc(N2CCC[C@H]2C[NH2+]C(C)(C)C)nc(C)n1 ZINC000090787291 180040659 /nfs/dbraw/zinc/04/06/59/180040659.db2.gz YRJHEZOZLCADOB-LBPRGKRZSA-N 1 0 278.400 2.151 10 0 CEAERO CCC(CC)[C@@H](C)NS(=O)(=O)CCC[NH2+]C(C)C ZINC000104447126 186004940 /nfs/dbraw/zinc/00/49/40/186004940.db2.gz AMCPBVKAUDGWKR-GFCCVEGCSA-N 1 0 278.462 2.119 10 0 CEAERO CCOc1ncnc(N[C@H]2c3ccccc3C[C@H]2[NH3+])c1C ZINC000090790146 180041856 /nfs/dbraw/zinc/04/18/56/180041856.db2.gz QKLSOWXMBHJUBW-KGLIPLIRSA-N 1 0 284.363 2.220 10 0 CEAERO CCOc1ncnc(N(C)Cc2cccc(C[NH3+])c2)c1C ZINC000090789497 180042210 /nfs/dbraw/zinc/04/22/10/180042210.db2.gz JKMDIFUKDJAXKQ-UHFFFAOYSA-N 1 0 286.379 2.279 10 0 CEAERO CCOc1cc(NC[C@H]2CCCC[N@@H+]2C)nc(C)n1 ZINC000090792265 180042749 /nfs/dbraw/zinc/04/27/49/180042749.db2.gz GIBFSKCVWKSIPA-GFCCVEGCSA-N 1 0 264.373 2.080 10 0 CEAERO COc1ncnc(N[C@H](C)C[NH+]2CCCCC2)c1C ZINC000090791063 180043083 /nfs/dbraw/zinc/04/30/83/180043083.db2.gz WDRRIGBACPXTLY-LLVKDONJSA-N 1 0 264.373 2.080 10 0 CEAERO CCC(CC)[C@@H](C)NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000104445557 186005511 /nfs/dbraw/zinc/00/55/11/186005511.db2.gz YHIXDRQYSNEWMY-IUODEOHRSA-N 1 0 262.397 2.497 10 0 CEAERO COc1cc([C@H](C)[NH2+]C[C@@H](C)[S@](C)=O)ccc1F ZINC000090841812 180043770 /nfs/dbraw/zinc/04/37/70/180043770.db2.gz LQZLXEJWWZLQAN-AUSHCKSDSA-N 1 0 273.373 2.252 10 0 CEAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@]1(O)CCOC1 ZINC000090849499 180045095 /nfs/dbraw/zinc/04/50/95/180045095.db2.gz UKRJYIVGUAPZSH-VNHYZAJKSA-N 1 0 255.402 2.332 10 0 CEAERO C[NH2+][C@@H]1C[C@H](OC[C@@H]2CCCCO2)C12CCCC2 ZINC000090856406 180047067 /nfs/dbraw/zinc/04/70/67/180047067.db2.gz YNFCYQKMCHREEU-MJBXVCDLSA-N 1 0 253.386 2.493 10 0 CEAERO C[NH2+][C@@H]1C[C@H](OC[C@@H]2CCOC2)C12CCCCC2 ZINC000090862914 180047372 /nfs/dbraw/zinc/04/73/72/180047372.db2.gz MYIMBAHLJIHQCW-MCIONIFRSA-N 1 0 253.386 2.350 10 0 CEAERO [NH3+]Cc1nc(-c2nc(Cc3ccc(F)cc3)no2)cs1 ZINC000090933502 180067021 /nfs/dbraw/zinc/06/70/21/180067021.db2.gz VTAQVTKHOAGJOK-UHFFFAOYSA-N 1 0 290.323 2.382 10 0 CEAERO CCCn1ncnc1CSc1cccc(C[NH3+])c1 ZINC000090870336 180049330 /nfs/dbraw/zinc/04/93/30/180049330.db2.gz QWAVPLHVRROQQV-UHFFFAOYSA-N 1 0 262.382 2.439 10 0 CEAERO CN(C)C(=O)CCCSc1cccc(C[NH3+])c1 ZINC000090870395 180049377 /nfs/dbraw/zinc/04/93/77/180049377.db2.gz GPTXOAKYJPWTFG-UHFFFAOYSA-N 1 0 252.383 2.106 10 0 CEAERO CC(C)[C@@H](CN(C)C)[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000090874404 180049626 /nfs/dbraw/zinc/04/96/26/180049626.db2.gz IJCWUEZQFGTYTE-HUUCEWRRSA-N 1 0 262.397 2.166 10 0 CEAERO CCC[NH2+]Cc1cccc(SC[C@H]2CNC(=O)O2)c1 ZINC000090871684 180049787 /nfs/dbraw/zinc/04/97/87/180049787.db2.gz HDTJORXWRJTXKW-GFCCVEGCSA-N 1 0 280.393 2.387 10 0 CEAERO [NH3+][C@H]1COc2cc(OC[C@H]3Cc4ccccc4O3)ccc21 ZINC000090873953 180050243 /nfs/dbraw/zinc/05/02/43/180050243.db2.gz AUWYCIOMVBWIIN-HIFRSBDPSA-N 1 0 283.327 2.461 10 0 CEAERO CC[C@@](C)(C[NH3+])N(C)C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090891791 180053891 /nfs/dbraw/zinc/05/38/91/180053891.db2.gz OPIDMJPLWAXBCL-ZFWWWQNUSA-N 1 0 266.360 2.188 10 0 CEAERO C[C@@H](CN1CCCC1)[NH2+]C[C@H]1Cc2cc(F)ccc2O1 ZINC000090892387 180053948 /nfs/dbraw/zinc/05/39/48/180053948.db2.gz SCLHPBYAPPIUIR-SWLSCSKDSA-N 1 0 278.371 2.203 10 0 CEAERO CCC(O)(CC)C[NH2+]C[C@H]1Cc2cc(F)ccc2O1 ZINC000090892974 180054625 /nfs/dbraw/zinc/05/46/25/180054625.db2.gz RZNUGQDMLYISGD-CYBMUJFWSA-N 1 0 267.344 2.270 10 0 CEAERO C[C@@H](C[NH3+])CSC[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893453 180055308 /nfs/dbraw/zinc/05/53/08/180055308.db2.gz YQUWOZBWGKDWKA-CABZTGNLSA-N 1 0 255.358 2.457 10 0 CEAERO CC(C)[N@H+](CCCO)C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090894763 180056002 /nfs/dbraw/zinc/05/60/02/180056002.db2.gz JVAWMWATOHZTPK-AWEZNQCLSA-N 1 0 267.344 2.222 10 0 CEAERO CCOC(=O)CC[N@H+](C)C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090894735 180056444 /nfs/dbraw/zinc/05/64/44/180056444.db2.gz YABKIVGLLJUTAW-ZDUSSCGKSA-N 1 0 281.327 2.014 10 0 CEAERO C[NH2+]Cc1c(C)nn(C[C@H]2Cc3cc(F)ccc3O2)c1C ZINC000090894372 180056483 /nfs/dbraw/zinc/05/64/83/180056483.db2.gz LNHSJHICUJCGBS-CQSZACIVSA-N 1 0 289.354 2.362 10 0 CEAERO Cn1ccnc1C[NH2+]C[C@H]1Cc2cc(Cl)ccc2O1 ZINC000090904772 180059544 /nfs/dbraw/zinc/05/95/44/180059544.db2.gz FCPRHRJZKCQIEO-GFCCVEGCSA-N 1 0 277.755 2.167 10 0 CEAERO Cn1ccnc1CC[NH2+]C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090904445 180059606 /nfs/dbraw/zinc/05/96/06/180059606.db2.gz SMUVMKYKYJHDGK-ZDUSSCGKSA-N 1 0 291.782 2.209 10 0 CEAERO [NH3+]C[C@@H](c1c(F)cccc1Cl)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905687 180060476 /nfs/dbraw/zinc/06/04/76/180060476.db2.gz ZSWIGDNHPWMMIY-CWSCBRNRSA-N 1 0 284.762 2.342 10 0 CEAERO [NH3+]C[C@H](c1cccc(Cl)c1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905568 180060486 /nfs/dbraw/zinc/06/04/86/180060486.db2.gz VNYZAUSJJBDHCS-HZSPNIEDSA-N 1 0 266.772 2.203 10 0 CEAERO CCCNc1ccc(CN2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000090907371 180060855 /nfs/dbraw/zinc/06/08/55/180060855.db2.gz VSJXQCFXQAVEJB-OKILXGFUSA-N 1 0 261.369 2.267 10 0 CEAERO COc1ccc([C@H](C[NH3+])N2C[C@H]3CC[C@@H](C2)O3)cc1Cl ZINC000090905890 180061159 /nfs/dbraw/zinc/06/11/59/180061159.db2.gz QTWVDJQRGQLTBQ-SCRDCRAPSA-N 1 0 296.798 2.212 10 0 CEAERO C[NH2+][C@H]1CCCc2sc(N3C[C@H]4CC[C@@H](C3)O4)nc21 ZINC000090908132 180061800 /nfs/dbraw/zinc/06/18/00/180061800.db2.gz MEJKEELJTFEJHJ-AXFHLTTASA-N 1 0 279.409 2.108 10 0 CEAERO C[NH2+]CC1(CN2C[C@H]3CC[C@@H](C2)O3)CCCCCC1 ZINC000090907607 180062474 /nfs/dbraw/zinc/06/24/74/180062474.db2.gz GRDAAVHEMXPIHV-GASCZTMLSA-N 1 0 266.429 2.410 10 0 CEAERO C[C@H](NC(=O)c1csc(CC[NH3+])n1)c1ccsc1 ZINC000090954030 180073764 /nfs/dbraw/zinc/07/37/64/180073764.db2.gz VVWFVLCTLXCENI-QMMMGPOBSA-N 1 0 281.406 2.197 10 0 CEAERO CN(C(=O)c1csc(CC[NH3+])n1)c1ccc(F)cc1 ZINC000090953409 180074029 /nfs/dbraw/zinc/07/40/29/180074029.db2.gz UOMPCQANSIRYML-UHFFFAOYSA-N 1 0 279.340 2.060 10 0 CEAERO CCN(Cc1csc([C@H](C)[NH3+])n1)[C@@H](C)COC ZINC000090958358 180074468 /nfs/dbraw/zinc/07/44/68/180074468.db2.gz OZILYAALCVXTTM-UWVGGRQHSA-N 1 0 257.403 2.020 10 0 CEAERO COCCN(Cc1csc([C@@H](C)[NH3+])n1)CC(C)C ZINC000090958281 180075156 /nfs/dbraw/zinc/07/51/56/180075156.db2.gz WOKLPZKFLCQNRE-LLVKDONJSA-N 1 0 271.430 2.267 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+][C@@H](CN(C)C)C(C)C ZINC000090960446 180075231 /nfs/dbraw/zinc/07/52/31/180075231.db2.gz HLKDIRVSFGZECW-ZDUSSCGKSA-N 1 0 283.441 2.382 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+]C[C@H]1CCCCN1C ZINC000090960506 180075423 /nfs/dbraw/zinc/07/54/23/180075423.db2.gz ANBRHMQEIFXHIR-GFCCVEGCSA-N 1 0 281.425 2.280 10 0 CEAERO C[C@H]1CCC[C@](CO)([NH2+]Cc2sccc2N)C1 ZINC000090960618 180076019 /nfs/dbraw/zinc/07/60/19/180076019.db2.gz KVRLOSSBLAALJK-GWCFXTLKSA-N 1 0 254.399 2.361 10 0 CEAERO CC(=O)Nc1ccsc1CNCC[N@@H+](C)C(C)C ZINC000090960631 180076380 /nfs/dbraw/zinc/07/63/80/180076380.db2.gz DPJZNZKRMXFNGK-UHFFFAOYSA-N 1 0 269.414 2.136 10 0 CEAERO COCC[NH2+]C[C@@H]1CCCN1C[C@@H]1Cc2ccccc21 ZINC000090977531 180078902 /nfs/dbraw/zinc/07/89/02/180078902.db2.gz DFDFZXYUENLLMT-HOTGVXAUSA-N 1 0 274.408 2.027 10 0 CEAERO [NH3+][C@@H](c1ccc2[nH]c(=O)[nH]c2c1)[C@H]1Cc2ccccc21 ZINC000090983808 180080108 /nfs/dbraw/zinc/08/01/08/180080108.db2.gz UZCZNFHSDHGUEO-WFASDCNBSA-N 1 0 265.316 2.196 10 0 CEAERO CC[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc32)[C@H](CC)C[NH2+]1 ZINC000090985575 180080902 /nfs/dbraw/zinc/08/09/02/180080902.db2.gz HLIMOZXRWZPLAH-IIAWOOMASA-N 1 0 272.392 2.315 10 0 CEAERO CCN(CC)C(=O)[C@@H](C)[NH2+]C[C@@H]1Cc2ccccc21 ZINC000090992597 180082288 /nfs/dbraw/zinc/08/22/88/180082288.db2.gz KZCUTKFSXXMKMR-OCCSQVGLSA-N 1 0 260.381 2.173 10 0 CEAERO C[NH2+]Cc1cccn1Cc1c(Br)c(C)nn1C ZINC000090995718 180082811 /nfs/dbraw/zinc/08/28/11/180082811.db2.gz BUQNAEQFCKYZQZ-UHFFFAOYSA-N 1 0 297.200 2.060 10 0 CEAERO CCc1nn(C)c(Cn2cccc2C[NH3+])c1Br ZINC000090995100 180082966 /nfs/dbraw/zinc/08/29/66/180082966.db2.gz JYARWLCTPGEWHO-UHFFFAOYSA-N 1 0 297.200 2.054 10 0 CEAERO CCn1ccnc1Cn1cccc1C[NH2+]CC(C)C ZINC000091001870 180083285 /nfs/dbraw/zinc/08/32/85/180083285.db2.gz VVQKKGMZFYNWSU-UHFFFAOYSA-N 1 0 260.385 2.498 10 0 CEAERO CC(C)NC(=O)CCn1cccc1C[NH2+]C(C)(C)C ZINC000091001601 180083339 /nfs/dbraw/zinc/08/33/39/180083339.db2.gz MPDXBZNOMFLFBM-UHFFFAOYSA-N 1 0 265.401 2.291 10 0 CEAERO CCOC(=O)[C@H](CC)n1ccnc1C[NH2+]CC(C)C ZINC000091002828 180083857 /nfs/dbraw/zinc/08/38/57/180083857.db2.gz OTMFOGLNTANADG-LBPRGKRZSA-N 1 0 267.373 2.143 10 0 CEAERO CC[NH2+]Cc1ccn(CCOCC(F)(F)F)c1 ZINC000091003215 180084049 /nfs/dbraw/zinc/08/40/49/180084049.db2.gz XGMJNZXXWYAIJI-UHFFFAOYSA-N 1 0 250.264 2.177 10 0 CEAERO CC(C)C[NH2+]Cc1ccn(CC(=O)N(C)C(C)C)c1 ZINC000091004468 180084224 /nfs/dbraw/zinc/08/42/24/180084224.db2.gz ZCUCSTIKYYCNLE-UHFFFAOYSA-N 1 0 265.401 2.101 10 0 CEAERO C[C@H]([NH3+])Cc1cccn1C[C@H]1Cc2ccccc2O1 ZINC000091005485 180084667 /nfs/dbraw/zinc/08/46/67/180084667.db2.gz HTGQTCOQSJBZCK-SWLSCSKDSA-N 1 0 256.349 2.382 10 0 CEAERO OC[C@H]1CCC[C@H]1C[NH2+]Cc1c[nH]c2ncccc12 ZINC000091019100 180086848 /nfs/dbraw/zinc/08/68/48/180086848.db2.gz LZSUXBGKHPDZFK-NWDGAFQWSA-N 1 0 259.353 2.061 10 0 CEAERO [NH3+]Cc1cn(Cc2cn3ccccc3n2)c2ncccc12 ZINC000091018960 180086897 /nfs/dbraw/zinc/08/68/97/180086897.db2.gz YFFMUZDWKORZFX-UHFFFAOYSA-N 1 0 277.331 2.191 10 0 CEAERO c1[nH]c2ncccc2c1C[NH2+]CCc1ccccn1 ZINC000091016123 180087141 /nfs/dbraw/zinc/08/71/41/180087141.db2.gz KWGNANLXTOAUIY-UHFFFAOYSA-N 1 0 252.321 2.290 10 0 CEAERO C[NH2+]Cc1cn(CCc2ccncc2)c2ncccc12 ZINC000091019478 180087846 /nfs/dbraw/zinc/08/78/46/180087846.db2.gz LXSUEXJWGSJRCB-UHFFFAOYSA-N 1 0 266.348 2.393 10 0 CEAERO COCCOCCn1cc(C[NH2+]C(C)C)c2cccnc21 ZINC000091020549 180088104 /nfs/dbraw/zinc/08/81/04/180088104.db2.gz RMNCJXUDTTXECZ-UHFFFAOYSA-N 1 0 291.395 2.197 10 0 CEAERO CC(C)C[NH2+]Cc1cn(CCCO)c2ncccc12 ZINC000091021153 180088634 /nfs/dbraw/zinc/08/86/34/180088634.db2.gz VXICAIWIBWCPDZ-UHFFFAOYSA-N 1 0 261.369 2.164 10 0 CEAERO CCn1cccc1C[NH2+]Cc1ccc(C(=O)NC)cc1 ZINC000091022663 180088783 /nfs/dbraw/zinc/08/87/83/180088783.db2.gz CTRATGBDNDUYLR-UHFFFAOYSA-N 1 0 271.364 2.157 10 0 CEAERO CC[C@H]([NH3+])Cc1cn(Cc2ncccn2)c2ncccc12 ZINC000091021953 180088861 /nfs/dbraw/zinc/08/88/61/180088861.db2.gz AESSMHFSWUGFEG-ZDUSSCGKSA-N 1 0 281.363 2.154 10 0 CEAERO C[C@H]1CCC[C@H](OC(=O)c2csc(CC[NH3+])n2)C1 ZINC000090939812 180068172 /nfs/dbraw/zinc/06/81/72/180068172.db2.gz NLWWPNUOJKMUMV-UWVGGRQHSA-N 1 0 268.382 2.380 10 0 CEAERO [NH3+]CC1([C@H](O)c2ccsc2Br)CC1 ZINC000669377903 539760794 /nfs/dbraw/zinc/76/07/94/539760794.db2.gz ZJVIMSKWQNEWTD-SSDOTTSWSA-N 1 0 262.172 2.283 10 0 CEAERO CCn1cccc1C[NH2+][C@H](CO)Cc1ccccc1 ZINC000091127763 180099422 /nfs/dbraw/zinc/09/94/22/180099422.db2.gz BISVCDWIXQKCSC-HNNXBMFYSA-N 1 0 258.365 2.201 10 0 CEAERO CCCn1c(C[C@H]2CSCC[NH2+]2)nc2cnccc21 ZINC000091128703 180100373 /nfs/dbraw/zinc/10/03/73/180100373.db2.gz QMHWEINPJICPPK-NSHDSACASA-N 1 0 276.409 2.089 10 0 CEAERO CC(C)n1c(C[C@H]2CSCC[NH2+]2)nc2cccnc21 ZINC000091128713 180100620 /nfs/dbraw/zinc/10/06/20/180100620.db2.gz DYYBHNSGNUSZEJ-NSHDSACASA-N 1 0 276.409 2.260 10 0 CEAERO C[C@@H]1CCC[C@H](OC(=O)C[C@@H]2CSCC[NH2+]2)C1 ZINC000091130012 180101138 /nfs/dbraw/zinc/10/11/38/180101138.db2.gz KKAXILVXPBQIBH-UTUOFQBUSA-N 1 0 257.399 2.203 10 0 CEAERO COc1ccc([C@H](C)NC(=O)C2CCC([NH3+])CC2)cc1 ZINC000090310185 539760105 /nfs/dbraw/zinc/76/01/05/539760105.db2.gz AUGWJLCFLYKJKI-XGNXJENSSA-N 1 0 276.380 2.390 10 0 CEAERO Cc1ccccc1[C@H](C)NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000091138361 180105336 /nfs/dbraw/zinc/10/53/36/180105336.db2.gz ZWLJUPPGVPIQNK-QWHCGFSZSA-N 1 0 278.421 2.267 10 0 CEAERO CCC1CCC([N@H+](C)[C@@H](CN)CC(=O)NC(C)C)CC1 ZINC000091318488 180133427 /nfs/dbraw/zinc/13/34/27/180133427.db2.gz QQPYKXXNNWMGQB-YMAMQOFZSA-N 1 0 283.460 2.129 10 0 CEAERO CCNC(=O)C[C@H](C[NH3+])N(C)[C@@H](C)c1ccccc1Cl ZINC000091316432 180133545 /nfs/dbraw/zinc/13/35/45/180133545.db2.gz CJFCAKQCWKTCPS-NWDGAFQWSA-N 1 0 297.830 2.186 10 0 CEAERO CCN(CC)C(=O)C[C@@H](CN)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000091322862 180134766 /nfs/dbraw/zinc/13/47/66/180134766.db2.gz YPUIDUSVBIRUMJ-JKSUJKDBSA-N 1 0 295.471 2.227 10 0 CEAERO COCC[NH2+]Cc1cnn(CC(C)C)c1C(F)F ZINC000091336492 180136532 /nfs/dbraw/zinc/13/65/32/180136532.db2.gz QRMFCZOZCKKCKP-UHFFFAOYSA-N 1 0 261.316 2.213 10 0 CEAERO COCC[NH2+]Cc1cnn(CC(C)C)c1C(F)(F)F ZINC000091336488 180136567 /nfs/dbraw/zinc/13/65/67/180136567.db2.gz GMAXKWXBTGDLSZ-UHFFFAOYSA-N 1 0 279.306 2.294 10 0 CEAERO Cc1ccc2nnc([C@@H]3CC[C@@H]4CCCC[C@@H]4[NH2+]3)n2n1 ZINC000091355287 180139052 /nfs/dbraw/zinc/13/90/52/180139052.db2.gz QMDRJCADWMAFQQ-AVGNSLFASA-N 1 0 271.368 2.416 10 0 CEAERO CC(C)[C@H](C)NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000104779187 186023651 /nfs/dbraw/zinc/02/36/51/186023651.db2.gz OGMOLLCTVPALNN-LBPRGKRZSA-N 1 0 255.406 2.205 10 0 CEAERO O=C(Nc1ccccc1CO)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091359858 180140243 /nfs/dbraw/zinc/14/02/43/180140243.db2.gz CUPRULQODXHVNI-NOLJZWGESA-N 1 0 288.391 2.428 10 0 CEAERO CN(Cc1ccccn1)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091359606 180140757 /nfs/dbraw/zinc/14/07/57/180140757.db2.gz CJWJQNUPCYURJE-BPUTZDHNSA-N 1 0 287.407 2.351 10 0 CEAERO COC1CCN(C[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000091362240 180141577 /nfs/dbraw/zinc/14/15/77/180141577.db2.gz XZQHXTRXFPFMFH-DZKIICNBSA-N 1 0 266.429 2.408 10 0 CEAERO C([C@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCSCC1 ZINC000091362147 180141679 /nfs/dbraw/zinc/14/16/79/180141679.db2.gz KHWXLAOMTINCBQ-MJBXVCDLSA-N 1 0 254.443 2.346 10 0 CEAERO CCOc1ccccc1[C@H]([NH3+])CSC[C@@H](C)CO ZINC000091261581 180115867 /nfs/dbraw/zinc/11/58/67/180115867.db2.gz OFWBCAGVBPWNLJ-WCQYABFASA-N 1 0 269.410 2.447 10 0 CEAERO Cc1nn(C)c(SC[C@@H](C)CO)c1C[NH2+]C(C)(C)C ZINC000091259945 180115967 /nfs/dbraw/zinc/11/59/67/180115967.db2.gz GHWVTWMRJKMXAI-JTQLQIEISA-N 1 0 285.457 2.337 10 0 CEAERO CC(C)n1cncc1CN1C[C@@H](C[NH3+])CC[C@@H]1C ZINC000091273055 180118140 /nfs/dbraw/zinc/11/81/40/180118140.db2.gz JNHZVCWGBSYGOK-QWHCGFSZSA-N 1 0 250.390 2.023 10 0 CEAERO CN(Cc1ccc(F)cc1)[C@@H](C[NH3+])c1cncn1C1CC1 ZINC000091276317 180119565 /nfs/dbraw/zinc/11/95/65/180119565.db2.gz CUKTUKDMABHJGH-HNNXBMFYSA-N 1 0 288.370 2.489 10 0 CEAERO CCN(CC(C)C)[C@H](C[NH3+])c1cncn1C1CC1 ZINC000091276234 180119588 /nfs/dbraw/zinc/11/95/88/180119588.db2.gz RMLALMFFWBFPIC-CYBMUJFWSA-N 1 0 250.390 2.196 10 0 CEAERO CN(c1ccccc1F)[C@H](C[NH3+])c1cncn1C1CC1 ZINC000091276492 180119746 /nfs/dbraw/zinc/11/97/46/180119746.db2.gz SEKFGBDCTNWKAA-CQSZACIVSA-N 1 0 274.343 2.493 10 0 CEAERO CCN([C@@H](C[NH3+])c1cncn1C1CC1)C1CCCC1 ZINC000091276253 180120250 /nfs/dbraw/zinc/12/02/50/180120250.db2.gz HAIVJXBLRSOCQC-AWEZNQCLSA-N 1 0 262.401 2.482 10 0 CEAERO C[C@@H](C[NH2+][C@H](c1ccccc1)C1CC1)N1CCOCC1 ZINC000091281164 180120879 /nfs/dbraw/zinc/12/08/79/180120879.db2.gz ORHRKYVQWMUTFG-WMLDXEAASA-N 1 0 274.408 2.448 10 0 CEAERO Fc1ccc2nc(C[C@H]3C[NH2+]CCO3)n(C3CC3)c2c1 ZINC000091293358 180124141 /nfs/dbraw/zinc/12/41/41/180124141.db2.gz BLEPHXNBAMDYKA-LBPRGKRZSA-N 1 0 275.327 2.041 10 0 CEAERO CCCn1c(C[C@H]2C[NH2+]CCO2)nc2cc(C)ccc21 ZINC000091293198 180124286 /nfs/dbraw/zinc/12/42/86/180124286.db2.gz FIXZHIAWWMHZMR-ZDUSSCGKSA-N 1 0 273.380 2.286 10 0 CEAERO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1[NH2+]C1CC(O)C1 ZINC000091430529 180152924 /nfs/dbraw/zinc/15/29/24/180152924.db2.gz IGCKJGVEKSOZJN-RYSNWHEDSA-N 1 0 298.427 2.183 10 0 CEAERO C[C@H](O)c1ccc(NC(=O)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091433273 180154348 /nfs/dbraw/zinc/15/43/48/180154348.db2.gz CGOFOXOWLFRYIZ-WFASDCNBSA-N 1 0 291.395 2.298 10 0 CEAERO CCCCOCCOc1cncc(C[NH2+]C(C)C)n1 ZINC000091433667 180154736 /nfs/dbraw/zinc/15/47/36/180154736.db2.gz ZUFFPVFEWGAGQZ-UHFFFAOYSA-N 1 0 267.373 2.170 10 0 CEAERO Cc1ccccc1[C@H]([C@H](C)N)[N@H+](C)CC1CC(O)C1 ZINC000091451474 180159155 /nfs/dbraw/zinc/15/91/55/180159155.db2.gz UBMNEJBWVUTZQB-USPMSXPRSA-N 1 0 262.397 2.086 10 0 CEAERO CN(CC1CC(O)C1)c1ccc(C(F)(F)F)cc1C[NH3+] ZINC000091462813 180162461 /nfs/dbraw/zinc/16/24/61/180162461.db2.gz HCLOWHBPUZZEPT-UHFFFAOYSA-N 1 0 288.313 2.371 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccccc1Cl)N(C)CC1CC(O)C1 ZINC000091464577 180163161 /nfs/dbraw/zinc/16/31/61/180163161.db2.gz KFZWZIUNRVGFSR-TVRADYJESA-N 1 0 282.815 2.431 10 0 CEAERO COc1ccc(CC[C@H](O)C[NH2+]CC(C)C)cc1 ZINC000091469504 180164762 /nfs/dbraw/zinc/16/47/62/180164762.db2.gz CQLPXTATBVRYLU-AWEZNQCLSA-N 1 0 251.370 2.234 10 0 CEAERO CC(C)(C)C1CCC(C(=O)N2CC(C[NH3+])C2)CC1 ZINC000091488947 180168413 /nfs/dbraw/zinc/16/84/13/180168413.db2.gz RATSKFHAEADEJX-UHFFFAOYSA-N 1 0 252.402 2.256 10 0 CEAERO O=C1N(CCCc2ccccc2)CCN1C1CC[NH2+]CC1 ZINC000091501727 180175205 /nfs/dbraw/zinc/17/52/05/180175205.db2.gz BOTWEXMNEDYMAG-UHFFFAOYSA-N 1 0 287.407 2.109 10 0 CEAERO CC(C)c1ccc(NC(=O)C[N@H+](C)CC2CC(O)C2)cc1 ZINC000091490458 180170198 /nfs/dbraw/zinc/17/01/98/180170198.db2.gz DEMBBPNKSWVNHM-UHFFFAOYSA-N 1 0 290.407 2.451 10 0 CEAERO CCN(C(=O)C1C(C)(C)C1(C)C)C1CC[NH2+]CC1 ZINC000091492651 180170785 /nfs/dbraw/zinc/17/07/85/180170785.db2.gz YOVSOGGPOAVERV-UHFFFAOYSA-N 1 0 252.402 2.269 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1N1C(=O)CC2(CCCCC2)CC1=O ZINC000091497272 180173228 /nfs/dbraw/zinc/17/32/28/180173228.db2.gz ZNJRXBJSZRJLKV-QWHCGFSZSA-N 1 0 278.396 2.226 10 0 CEAERO C[N@H+](CC1CC(O)C1)CC(C)(C)C(=O)Nc1ccccc1 ZINC000091498945 180173758 /nfs/dbraw/zinc/17/37/58/180173758.db2.gz JECAZQYQWKCCCW-UHFFFAOYSA-N 1 0 290.407 2.354 10 0 CEAERO O=C1CC2(CN1Cc1cc(F)ccc1F)CC[NH2+]CC2 ZINC000091415255 180149613 /nfs/dbraw/zinc/14/96/13/180149613.db2.gz BPWWPMOZCRDMLZ-UHFFFAOYSA-N 1 0 280.318 2.067 10 0 CEAERO C[NH2+]Cc1cncc(N(C)Cc2ccc(Cl)cc2)n1 ZINC000091420906 180150638 /nfs/dbraw/zinc/15/06/38/180150638.db2.gz DNJMLSJILGHTIR-UHFFFAOYSA-N 1 0 276.771 2.486 10 0 CEAERO CC[NH2+]Cc1cncc(N(C)c2ccc(F)cc2)n1 ZINC000091420245 180150677 /nfs/dbraw/zinc/15/06/77/180150677.db2.gz NHSVKDPEVKNIKN-UHFFFAOYSA-N 1 0 260.316 2.493 10 0 CEAERO CCn1nc(C)c(N)c1N1CCC([NH+]2CCCCC2)CC1 ZINC000091555676 180190236 /nfs/dbraw/zinc/19/02/36/180190236.db2.gz KUCOLPZXZMTLRA-UHFFFAOYSA-N 1 0 291.443 2.248 10 0 CEAERO CCc1nn(C)c(NCCCC[N@H+](C)C(C)C)c1N ZINC000091561916 180192187 /nfs/dbraw/zinc/19/21/87/180192187.db2.gz HTPFJIYNHBHUOY-UHFFFAOYSA-N 1 0 267.421 2.097 10 0 CEAERO CCn1cc(C[C@H](O)C(C)(C)[NH+]2CCCCC2)cn1 ZINC000091564034 180193186 /nfs/dbraw/zinc/19/31/86/180193186.db2.gz ZIOOAJUXXBEMAQ-AWEZNQCLSA-N 1 0 265.401 2.071 10 0 CEAERO CC(C)([C@H]([NH3+])Cc1ccc(Cl)s1)N1CCOCC1 ZINC000091566227 180193867 /nfs/dbraw/zinc/19/38/67/180193867.db2.gz UZOSCCBVBPBIDX-LLVKDONJSA-N 1 0 288.844 2.382 10 0 CEAERO C[NH2+][C@@H](c1cccc(F)c1)C(C)(C)N1CCOCC1 ZINC000091566607 180193998 /nfs/dbraw/zinc/19/39/98/180193998.db2.gz MNQFRIFSSFOTEB-AWEZNQCLSA-N 1 0 266.360 2.197 10 0 CEAERO CC(C)([C@H]([NH3+])c1cncc2ccccc21)N1CCOCC1 ZINC000091566413 180194104 /nfs/dbraw/zinc/19/41/04/180194104.db2.gz ATSPAABRHUZKHZ-MRXNPFEDSA-N 1 0 285.391 2.345 10 0 CEAERO C[NH2+][C@H](c1ccc(F)c(F)c1)C(C)(C)N1CCOCC1 ZINC000091566616 180194204 /nfs/dbraw/zinc/19/42/04/180194204.db2.gz WJDGMRXUBARXHT-CQSZACIVSA-N 1 0 284.350 2.336 10 0 CEAERO CC(C)([C@@H](O)c1cnccc1N)[NH+]1CCCCCC1 ZINC000091567741 180194608 /nfs/dbraw/zinc/19/46/08/180194608.db2.gz SOFDULMZLYKPAD-AWEZNQCLSA-N 1 0 263.385 2.352 10 0 CEAERO CC[NH2+][C@H](Cc1cccs1)C(C)(C)N1CCOCC1 ZINC000091566907 180194979 /nfs/dbraw/zinc/19/49/79/180194979.db2.gz HYLLQDSZASHFQF-CQSZACIVSA-N 1 0 282.453 2.380 10 0 CEAERO CCn1cc(C[C@H](O)C(C)(C)[NH+]2CCCCCC2)cn1 ZINC000091567526 180195128 /nfs/dbraw/zinc/19/51/28/180195128.db2.gz QMAQQJUPTICAPW-HNNXBMFYSA-N 1 0 279.428 2.461 10 0 CEAERO CC[NH2+][C@H](c1c(C)ccnc1N)[C@@](C)(CC)N(C)C ZINC000091571093 180195317 /nfs/dbraw/zinc/19/53/17/180195317.db2.gz INWUPTOFEOWHRN-UKRRQHHQSA-N 1 0 264.417 2.353 10 0 CEAERO CC[C@@](C)([C@@H](N)c1ccc(OC)cc1OC)[NH+](C)C ZINC000091569662 180195464 /nfs/dbraw/zinc/19/54/64/180195464.db2.gz VNEJJBTVLCGLAT-GJZGRUSLSA-N 1 0 266.385 2.434 10 0 CEAERO CC[C@@](C)([C@@H](N)c1cc(Cl)cnc1N)[NH+](C)C ZINC000091569714 180195739 /nfs/dbraw/zinc/19/57/39/180195739.db2.gz DOGQBYSKWGSYFU-JQWIXIFHSA-N 1 0 256.781 2.047 10 0 CEAERO CC[C@@](C)([C@H](O)Cc1ccc(OC)c(F)c1)[NH+](C)C ZINC000091569432 180195893 /nfs/dbraw/zinc/19/58/93/180195893.db2.gz KFWHGRUADZLVCW-CABCVRRESA-N 1 0 269.360 2.468 10 0 CEAERO CCn1nc(C)c(Cl)c1C[C@@H](N)[C@](C)(CC)[NH+](C)C ZINC000091569956 180195904 /nfs/dbraw/zinc/19/59/04/180195904.db2.gz OGUFSTRGZCBLIG-OCCSQVGLSA-N 1 0 286.851 2.465 10 0 CEAERO CCC[NH2+][C@@H](c1cccnc1N)[C@@](C)(CC)N(C)C ZINC000091572276 180196165 /nfs/dbraw/zinc/19/61/65/180196165.db2.gz BZABSHFBYWVNTF-DZGCQCFKSA-N 1 0 264.417 2.435 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@@H](N)c1cc(C)cnc1N ZINC000091573610 180196184 /nfs/dbraw/zinc/19/61/84/180196184.db2.gz ONAAZFXFGVKSND-ZFWWWQNUSA-N 1 0 264.417 2.483 10 0 CEAERO CCC[NH2+][C@H](Cc1cccnc1N)[C@@](C)(CC)N(C)C ZINC000091571901 180196253 /nfs/dbraw/zinc/19/62/53/180196253.db2.gz SETHQHPQJOAKDT-GDBMZVCRSA-N 1 0 278.444 2.305 10 0 CEAERO CC[C@@](C)([C@@H](Cc1cc(C)nn1C)[NH2+]C)N1CCCC1 ZINC000091606600 180203931 /nfs/dbraw/zinc/20/39/31/180203931.db2.gz NSJXCMANVPILAE-CVEARBPZSA-N 1 0 278.444 2.124 10 0 CEAERO CC[C@@](C)([C@H](Cc1ncnn1C(C)C)[NH2+]C)N1CCCC1 ZINC000091607029 180204070 /nfs/dbraw/zinc/20/40/70/180204070.db2.gz DRSIPJOFJCNQDP-HOCLYGCPSA-N 1 0 293.459 2.254 10 0 CEAERO CCn1nccc1[C@H](N)[C@](C)(CC)[NH+]1CCCC1 ZINC000091604663 180204185 /nfs/dbraw/zinc/20/41/85/180204185.db2.gz HWIOOHHWVDKJKW-KBPBESRZSA-N 1 0 250.390 2.167 10 0 CEAERO CC[C@](C)([C@H](O)c1cnccc1N)[NH+]1CCCCC1 ZINC000091608882 180205467 /nfs/dbraw/zinc/20/54/67/180205467.db2.gz OGLHWLAHVDOTGS-HUUCEWRRSA-N 1 0 263.385 2.352 10 0 CEAERO CCn1ncnc1C[C@H]([NH2+]C)[C@](C)(CC)N1CCCCC1 ZINC000091610059 180205842 /nfs/dbraw/zinc/20/58/42/180205842.db2.gz RWYVQABUXGQXIV-HOCLYGCPSA-N 1 0 293.459 2.083 10 0 CEAERO CC[C@@](C)([C@@H]([NH3+])Cc1ccc(C)cc1)N1CCOCC1 ZINC000091611743 180206744 /nfs/dbraw/zinc/20/67/44/180206744.db2.gz SQIXEQPRSHHNIK-IRXDYDNUSA-N 1 0 276.424 2.366 10 0 CEAERO CC[C@](C)([C@H](Cc1cccs1)[NH2+]C)N1CCOCC1 ZINC000091612468 180206963 /nfs/dbraw/zinc/20/69/63/180206963.db2.gz HKHKBIOCJLXKED-LSDHHAIUSA-N 1 0 282.453 2.380 10 0 CEAERO CC[NH2+][C@H](c1cnccc1N)C(CC)(CC)N(C)C ZINC000091614732 180207819 /nfs/dbraw/zinc/20/78/19/180207819.db2.gz DFEPJLQZAUQVDO-CQSZACIVSA-N 1 0 264.417 2.435 10 0 CEAERO CCCn1nccc1[C@@H](N)C(CC)(CC)[NH+](C)C ZINC000091613988 180207956 /nfs/dbraw/zinc/20/79/56/180207956.db2.gz DDWGLPOVZLXSTA-CYBMUJFWSA-N 1 0 252.406 2.413 10 0 CEAERO CCn1nc(C)cc1C[C@H]([NH2+]C)C(CC)(CC)N(C)C ZINC000091614451 180208173 /nfs/dbraw/zinc/20/81/73/180208173.db2.gz XFDZMTDMEBQEKP-HNNXBMFYSA-N 1 0 280.460 2.462 10 0 CEAERO CC[NH2+][C@H](Cc1cccnc1N)C(CC)(CC)N(C)C ZINC000091614738 180208261 /nfs/dbraw/zinc/20/82/61/180208261.db2.gz CTVUCGMQNBUNRX-CQSZACIVSA-N 1 0 278.444 2.305 10 0 CEAERO Cc1nc(NC(=O)[C@H]2CCC[C@H]2[NH3+])ccc1Br ZINC000091507026 180175964 /nfs/dbraw/zinc/17/59/64/180175964.db2.gz URFAKEDHLZVJRT-WCBMZHEXSA-N 1 0 298.184 2.218 10 0 CEAERO CCOC(=O)[C@]1(Nc2cc(C)cc(F)c2)CC[N@H+](C)C1 ZINC000091516031 180176841 /nfs/dbraw/zinc/17/68/41/180176841.db2.gz WCKCNQCMFNJQPY-HNNXBMFYSA-N 1 0 280.343 2.183 10 0 CEAERO COCC[NH2+]CC[C@](C)(O)c1cc(C)cc(C)c1 ZINC000091520637 180177923 /nfs/dbraw/zinc/17/79/23/180177923.db2.gz HXXOMYDXKAMTPY-HNNXBMFYSA-N 1 0 251.370 2.137 10 0 CEAERO CC(C)c1ccc(-c2noc(C[C@@](C)(O)C[NH3+])n2)cc1 ZINC000091523654 180178162 /nfs/dbraw/zinc/17/81/62/180178162.db2.gz ROIJZYGNIQGDDJ-OAHLLOKOSA-N 1 0 275.352 2.112 10 0 CEAERO CC(C)C[NH2+]CC[C@](C)(O)[C@H]1Cc2ccccc2N1 ZINC000091520622 180178201 /nfs/dbraw/zinc/17/82/01/180178201.db2.gz SZFLXARZYCPWLF-CVEARBPZSA-N 1 0 262.397 2.410 10 0 CEAERO CC(C)n1c2cc(F)ccc2nc1C[C@](C)(O)C[NH3+] ZINC000091522845 180178291 /nfs/dbraw/zinc/17/82/91/180178291.db2.gz FFHAGQZNSAPYRJ-AWEZNQCLSA-N 1 0 265.332 2.009 10 0 CEAERO CCCn1cc([C@@H](O)C(C)(C)[NH+](CC)CC)cn1 ZINC000091530153 180180936 /nfs/dbraw/zinc/18/09/36/180180936.db2.gz XJTJXBNGNJDLSY-CYBMUJFWSA-N 1 0 253.390 2.447 10 0 CEAERO Cc1nc(C[C@H](O)C(C)(C)[NH+]2CCCC2)cs1 ZINC000091533479 180181321 /nfs/dbraw/zinc/18/13/21/180181321.db2.gz XFQWEMUMTZKELT-LBPRGKRZSA-N 1 0 254.399 2.229 10 0 CEAERO COc1ccc([C@H](C)[NH2+]CC2CC(O)C2)cc1OC ZINC000091538822 180182972 /nfs/dbraw/zinc/18/29/72/180182972.db2.gz SWGBFYMJHVOCQW-ZBOXLXRLSA-N 1 0 265.353 2.125 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](C(=O)Nc2cc3c(cc2Cl)OCO3)C1 ZINC000091541035 180183597 /nfs/dbraw/zinc/18/35/97/180183597.db2.gz HCNQHWOCYGYADD-HTQZYQBOSA-N 1 0 282.727 2.135 10 0 CEAERO CCC(=O)Nc1cccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)c1C ZINC000091545846 180186697 /nfs/dbraw/zinc/18/66/97/180186697.db2.gz PDTKBGPNKJWTNY-RYUDHWBXSA-N 1 0 289.379 2.409 10 0 CEAERO CCC(CC)([C@H](NC)c1ccnn1C)[NH+]1CCCC1 ZINC000091635198 180210941 /nfs/dbraw/zinc/21/09/41/180210941.db2.gz SIMSDIGAWMBACR-CQSZACIVSA-N 1 0 264.417 2.335 10 0 CEAERO Cc1nc(C[C@H](O)C2([NH+](C)C)CCCC2)cs1 ZINC000091636977 180211280 /nfs/dbraw/zinc/21/12/80/180211280.db2.gz ABZFGRXCFAXCLO-LBPRGKRZSA-N 1 0 254.399 2.229 10 0 CEAERO CCn1ccnc1[C@H](NC)C1([NH+](C)C)CCCC1 ZINC000091637783 180212034 /nfs/dbraw/zinc/21/20/34/180212034.db2.gz RSTDZMSJICDFGB-LBPRGKRZSA-N 1 0 250.390 2.038 10 0 CEAERO CCCn1ccnc1[C@H](NC)C1([NH+](C)C)CCCC1 ZINC000091637809 180212523 /nfs/dbraw/zinc/21/25/23/180212523.db2.gz LNQKKYRENSSQDL-ZDUSSCGKSA-N 1 0 264.417 2.428 10 0 CEAERO Nc1ccncc1[C@H](N)C1([NH+]2CCCC2)CCCC1 ZINC000091640596 180213129 /nfs/dbraw/zinc/21/31/29/180213129.db2.gz FMMXSTHNOABYFF-AWEZNQCLSA-N 1 0 260.385 2.072 10 0 CEAERO Cn1cc([C@@H](O)C2([NH+]3CCCCC3)CCCC2)cn1 ZINC000091641739 180213160 /nfs/dbraw/zinc/21/31/60/180213160.db2.gz KAWAVKSQTGDAAF-CQSZACIVSA-N 1 0 263.385 2.252 10 0 CEAERO Nc1ncccc1[C@H](N)C1([NH+]2CCCCC2)CCCC1 ZINC000091642059 180213247 /nfs/dbraw/zinc/21/32/47/180213247.db2.gz LFOAYSHGJFNDNF-AWEZNQCLSA-N 1 0 274.412 2.462 10 0 CEAERO CC(C)n1ncnc1C[C@H](N)C1([NH+]2CCCC2)CCCC1 ZINC000091640806 180213389 /nfs/dbraw/zinc/21/33/89/180213389.db2.gz RMKXPWZWILQKCM-AWEZNQCLSA-N 1 0 291.443 2.137 10 0 CEAERO C[NH2+][C@H](CC(C)C)C1(N2CCOCC2)CCCC1 ZINC000091643120 180213888 /nfs/dbraw/zinc/21/38/88/180213888.db2.gz NCRUSYFWGFUBFB-CQSZACIVSA-N 1 0 254.418 2.266 10 0 CEAERO [NH3+][C@H](Cc1ccccc1F)C1(N2CCOCC2)CCCC1 ZINC000091642827 180213931 /nfs/dbraw/zinc/21/39/31/180213931.db2.gz XTZQVUAWWYJNTK-MRXNPFEDSA-N 1 0 292.398 2.341 10 0 CEAERO C[NH2+][C@@H](Cc1cccnc1N)C1(N(C)C)CCCCC1 ZINC000091647489 180215223 /nfs/dbraw/zinc/21/52/23/180215223.db2.gz YFHLIJSJSWXXMA-AWEZNQCLSA-N 1 0 276.428 2.059 10 0 CEAERO C[NH+](C)C1(C(=O)Cc2ccnc(N)c2)CCCCC1 ZINC000091646428 180215281 /nfs/dbraw/zinc/21/52/81/180215281.db2.gz HPSPUHUNHLYBAO-UHFFFAOYSA-N 1 0 261.369 2.040 10 0 CEAERO C[NH2+][C@@H](c1ccnn1C)C1(N(C)C)CCC(C)CC1 ZINC000091649196 180216375 /nfs/dbraw/zinc/21/63/75/180216375.db2.gz JRDNDJULNPTHPH-BLZCZZARSA-N 1 0 264.417 2.191 10 0 CEAERO CC(C)n1ncnc1CC(=O)[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000091650357 180216579 /nfs/dbraw/zinc/21/65/79/180216579.db2.gz KBTRUXLUPRPDQV-CJNGLKHVSA-N 1 0 292.427 2.481 10 0 CEAERO Cn1cc([C@H](N)C2([NH+](C)C)CCCCCC2)cn1 ZINC000091654213 180216774 /nfs/dbraw/zinc/21/67/74/180216774.db2.gz QYBWCMILVLNECG-ZDUSSCGKSA-N 1 0 250.390 2.075 10 0 CEAERO C[NH+](C)C1([C@@H](O)c2cccnc2N)CCCCCC1 ZINC000091653847 180216776 /nfs/dbraw/zinc/21/67/76/180216776.db2.gz SLAGRYXROHBKOK-ZDUSSCGKSA-N 1 0 263.385 2.352 10 0 CEAERO Cc1cnc(Cl)nc1N[C@H](C[NH+](C)C)C(C)C ZINC000091658488 180218686 /nfs/dbraw/zinc/21/86/86/180218686.db2.gz WGGIAOPJSALZSE-SNVBAGLBSA-N 1 0 256.781 2.437 10 0 CEAERO COC(OC)[C@H](C)[NH2+][C@@H]1CCCc2cccnc21 ZINC000091661727 180219590 /nfs/dbraw/zinc/21/95/90/180219590.db2.gz OBDSZEKLUZONMZ-CMPLNLGQSA-N 1 0 250.342 2.056 10 0 CEAERO O[C@@H]1COCC[C@@H]1[NH2+]C1CCC(C2CCC2)CC1 ZINC000624239729 350241847 /nfs/dbraw/zinc/24/18/47/350241847.db2.gz RYYMXRQZVRGWKQ-PFSRBDOWSA-N 1 0 253.386 2.085 10 0 CEAERO C[NH2+][C@H](Cc1ccc(C(C)C)cc1)[C@H]1CN(C)CCO1 ZINC000091717937 180231964 /nfs/dbraw/zinc/23/19/64/180231964.db2.gz KLDYKMCTEWGRQV-IAGOWNOFSA-N 1 0 276.424 2.271 10 0 CEAERO C[NH2+][C@@H](c1ccc(C(C)C)cc1)[C@H]1CN(C)CCO1 ZINC000091717732 180231966 /nfs/dbraw/zinc/23/19/66/180231966.db2.gz HXCBFCXERNBILJ-CVEARBPZSA-N 1 0 262.397 2.401 10 0 CEAERO CCCc1ccc([C@H]([NH2+]C)[C@H]2CN(C)CCO2)cc1 ZINC000091717704 180232097 /nfs/dbraw/zinc/23/20/97/180232097.db2.gz ADINMKVAKXVBOM-CVEARBPZSA-N 1 0 262.397 2.230 10 0 CEAERO CC[NH2+][C@H](c1cccs1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091722021 180239567 /nfs/dbraw/zinc/23/95/67/180239567.db2.gz CZQRTVOZXVZPNH-DYEKYZERSA-N 1 0 266.410 2.262 10 0 CEAERO Cc1cc([C@H](O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1F ZINC000091715446 180232495 /nfs/dbraw/zinc/23/24/95/180232495.db2.gz PJALIEYTFSQXGK-SNPRPXQTSA-N 1 0 265.328 2.031 10 0 CEAERO CCCOc1ccc([C@H]([NH2+]C)[C@H]2CN(C)CCO2)cc1 ZINC000091718036 180232955 /nfs/dbraw/zinc/23/29/55/180232955.db2.gz WEBDDILCZPWRAF-CVEARBPZSA-N 1 0 278.396 2.067 10 0 CEAERO CC[NH2+][C@H](c1cccc(Cl)c1)[C@H]1CN(C)CCO1 ZINC000091718569 180233289 /nfs/dbraw/zinc/23/32/89/180233289.db2.gz AAOHXSYTFPPCBU-ZIAGYGMSSA-N 1 0 268.788 2.321 10 0 CEAERO CC[NH2+][C@H](c1cccc(C)c1C)[C@H]1CN(C)CCO1 ZINC000091718705 180233479 /nfs/dbraw/zinc/23/34/79/180233479.db2.gz XNNBSYPMLDSLJT-HZPDHXFCSA-N 1 0 262.397 2.285 10 0 CEAERO CCC[NH2+][C@H](c1ccccc1C)[C@@H]1CN(C)CCO1 ZINC000091718935 180233724 /nfs/dbraw/zinc/23/37/24/180233724.db2.gz NPXKSYLMOPMWAB-JKSUJKDBSA-N 1 0 262.397 2.366 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccc(C)cc1)[C@@H]1CN(C)CCO1 ZINC000091719094 180234129 /nfs/dbraw/zinc/23/41/29/180234129.db2.gz BGEZOBVNNNDIGN-IRXDYDNUSA-N 1 0 276.424 2.236 10 0 CEAERO CC[NH2+][C@@H](Cc1c(Cl)c(CC)nn1CC)CN(C)C ZINC000091719844 180234361 /nfs/dbraw/zinc/23/43/61/180234361.db2.gz LHWCSPQJLPAYIV-NSHDSACASA-N 1 0 286.851 2.201 10 0 CEAERO CCC[NH2+][C@@H](Cc1nn(C)c2ccccc12)CN(C)C ZINC000091719942 180234387 /nfs/dbraw/zinc/23/43/87/180234387.db2.gz DGCNRIZMADISRQ-ZDUSSCGKSA-N 1 0 274.412 2.046 10 0 CEAERO CCC[NH2+][C@H](Cc1ccccc1C)[C@@H]1CN(C)CCO1 ZINC000091719275 180234523 /nfs/dbraw/zinc/23/45/23/180234523.db2.gz WWGXPMBMKMCLRJ-SJORKVTESA-N 1 0 276.424 2.236 10 0 CEAERO CCCc1ccc([C@H](C)[NH2+][C@H]2CCOC[C@@H]2O)cc1 ZINC000624234977 350238406 /nfs/dbraw/zinc/23/84/06/350238406.db2.gz AGYCNMOYECCRGG-RCBQFDQVSA-N 1 0 263.381 2.440 10 0 CEAERO O[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000624235957 350239750 /nfs/dbraw/zinc/23/97/50/350239750.db2.gz SYVUTRARQGBOAT-HZSPNIEDSA-N 1 0 267.756 2.067 10 0 CEAERO CC[NH2+][C@H](C1CCCCC1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721747 180237391 /nfs/dbraw/zinc/23/73/91/180237391.db2.gz WNKOLWKVWOPPGZ-BZUAXINKSA-N 1 0 266.429 2.408 10 0 CEAERO CCc1ccc([C@@H]([NH3+])c2ccc3c(c2)CC(=O)N3)o1 ZINC000091760051 180247356 /nfs/dbraw/zinc/24/73/56/180247356.db2.gz NTSBUFSIZLCBOR-HNNXBMFYSA-N 1 0 256.305 2.385 10 0 CEAERO CCc1ccc([C@@H]([NH2+]C)c2ccc3c(c2)C(=O)NCC3)o1 ZINC000091760975 180247514 /nfs/dbraw/zinc/24/75/14/180247514.db2.gz ANPKJYNVCTYWDL-INIZCTEOSA-N 1 0 284.359 2.437 10 0 CEAERO CCc1ccc([C@H]([NH2+]C)c2ccc3[nH]c(=O)[nH]c3c2)o1 ZINC000091760307 180247550 /nfs/dbraw/zinc/24/75/50/180247550.db2.gz IMZONEYQOGTDER-CQSZACIVSA-N 1 0 271.320 2.320 10 0 CEAERO CCc1ccc(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])o1 ZINC000091762934 180248400 /nfs/dbraw/zinc/24/84/00/180248400.db2.gz KOOHETLCWXZSKE-CMPLNLGQSA-N 1 0 250.342 2.089 10 0 CEAERO CC[NH2+][C@@H](C)c1cccn1Cc1cc(COC)on1 ZINC000091801687 180259392 /nfs/dbraw/zinc/25/93/92/180259392.db2.gz RUTYGYCYZPPWSC-NSHDSACASA-N 1 0 263.341 2.341 10 0 CEAERO C[NH2+][C@H](C)c1cccn1CC(=O)Nc1ccccc1OC ZINC000091800545 180259461 /nfs/dbraw/zinc/25/94/61/180259461.db2.gz XXCSYQABNKBAJO-GFCCVEGCSA-N 1 0 287.363 2.416 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1cnn(C)c1)n1ccnc1-c1ccccc1 ZINC000105554328 186063182 /nfs/dbraw/zinc/06/31/82/186063182.db2.gz KKFFRHIVBAXZCC-DOMZBBRYSA-N 1 0 281.363 2.220 10 0 CEAERO Cc1ccc(C)n1NC(=O)[C@@H](C)CCC[C@@H](C)[NH3+] ZINC000091787723 180256708 /nfs/dbraw/zinc/25/67/08/180256708.db2.gz SZCLJNKXURDLLY-WDEREUQCSA-N 1 0 251.374 2.329 10 0 CEAERO CC[NH2+][C@H](C)c1cccn1CC(=O)N[C@H](C)C(C)C ZINC000091801761 180258772 /nfs/dbraw/zinc/25/87/72/180258772.db2.gz GHPSPUROQDKHTD-CHWSQXEVSA-N 1 0 265.401 2.319 10 0 CEAERO C[NH2+][C@@H](C)c1cccn1Cc1ncnn1CC(C)C ZINC000091800826 180258833 /nfs/dbraw/zinc/25/88/33/180258833.db2.gz XINZXPKQRVJLPL-LBPRGKRZSA-N 1 0 261.373 2.064 10 0 CEAERO CC[NH2+][C@H](C)c1cccn1CC(=O)N1CCCCC1 ZINC000091801612 180259030 /nfs/dbraw/zinc/25/90/30/180259030.db2.gz GQYADGTVIHVWFF-CYBMUJFWSA-N 1 0 263.385 2.171 10 0 CEAERO Cc1cccc(NC(=O)Cn2cccc2[C@@H](C)[NH3+])c1 ZINC000091799850 180259047 /nfs/dbraw/zinc/25/90/47/180259047.db2.gz TXJBMBBZPONKBW-GFCCVEGCSA-N 1 0 257.337 2.455 10 0 CEAERO CCC[NH2+][C@H](CC1CC1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091722213 180240538 /nfs/dbraw/zinc/24/05/38/180240538.db2.gz ACNVLNUHVYWUAP-KFWWJZLASA-N 1 0 252.402 2.018 10 0 CEAERO Cc1nc(CN(C)C)nc(C)c1[C@@H](C)C[NH2+]C1CC1 ZINC000091723775 180242443 /nfs/dbraw/zinc/24/24/43/180242443.db2.gz OYCKQRUJFOAEGQ-JTQLQIEISA-N 1 0 262.401 2.011 10 0 CEAERO Cc1noc(CC[NH2+]Cc2c[nH]nc2-c2ccc(C)o2)n1 ZINC000105469685 186059342 /nfs/dbraw/zinc/05/93/42/186059342.db2.gz GCTKTEFDQAYUHH-UHFFFAOYSA-N 1 0 287.323 2.002 10 0 CEAERO CCOc1ccccc1C[NH2+]CCc1nc(C)no1 ZINC000105470225 186059347 /nfs/dbraw/zinc/05/93/47/186059347.db2.gz XGXYPAIWACRVOI-UHFFFAOYSA-N 1 0 261.325 2.109 10 0 CEAERO CC[NH2+][C@@H]1CCCCC[C@H]1c1nc(CN(C)C)no1 ZINC000091747613 180245275 /nfs/dbraw/zinc/24/52/75/180245275.db2.gz YVEJRCMCIVPDMA-VXGBXAGGSA-N 1 0 266.389 2.157 10 0 CEAERO CCC[NH2+][C@@H](C)c1cccn1CC(=O)NCC(C)C ZINC000091803093 180260055 /nfs/dbraw/zinc/26/00/55/180260055.db2.gz GSUUBAOYOAGHQI-ZDUSSCGKSA-N 1 0 265.401 2.321 10 0 CEAERO CCCCNC(=O)Cn1cccc1[C@H](C)[NH2+]CCC ZINC000091802694 180260146 /nfs/dbraw/zinc/26/01/46/180260146.db2.gz CXYPRJMSMIZGFJ-ZDUSSCGKSA-N 1 0 265.401 2.465 10 0 CEAERO CC[NH2+][C@@H](CC)c1ccn(CC(=O)N(CC)CC)c1 ZINC000091817103 180263450 /nfs/dbraw/zinc/26/34/50/180263450.db2.gz XYMKLEMQFDMISH-AWEZNQCLSA-N 1 0 265.401 2.417 10 0 CEAERO CCC[C@@H]([NH3+])c1ccn(CC(=O)NCC(C)C)c1 ZINC000091821438 180264011 /nfs/dbraw/zinc/26/40/11/180264011.db2.gz AJSOONJKTNRMAP-CYBMUJFWSA-N 1 0 251.374 2.060 10 0 CEAERO CCC[NH2+][C@@H](c1ccn(CCCS(C)(=O)=O)c1)C1CC1 ZINC000091838948 180268450 /nfs/dbraw/zinc/26/84/50/180268450.db2.gz JKFZJVGPVHLHOI-OAHLLOKOSA-N 1 0 298.452 2.374 10 0 CEAERO CCS(=O)(=O)c1ccc(N(C)C2CCC([NH3+])CC2)cc1 ZINC000091849556 180271074 /nfs/dbraw/zinc/27/10/74/180271074.db2.gz OMQHXSOZHPDJCS-UHFFFAOYSA-N 1 0 296.436 2.186 10 0 CEAERO CN(c1cccc(Cl)c1C(N)=O)C1CCC([NH3+])CC1 ZINC000091849454 180271116 /nfs/dbraw/zinc/27/11/16/180271116.db2.gz FFGRFXWDYZFUQE-UHFFFAOYSA-N 1 0 281.787 2.145 10 0 CEAERO CCN(Cc1csc(NC(C)=O)n1)C1CCC([NH3+])CC1 ZINC000091850748 180271784 /nfs/dbraw/zinc/27/17/84/180271784.db2.gz YBKMPHSAHHITHC-UHFFFAOYSA-N 1 0 296.440 2.193 10 0 CEAERO CC[C@H]1CCC[C@@](O)(C2(C[NH3+])CCOCC2)CC1 ZINC000091923375 180287732 /nfs/dbraw/zinc/28/77/32/180287732.db2.gz KNXBDSZXDGCSRE-ZFWWWQNUSA-N 1 0 255.402 2.463 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](c2nc3ccc(F)cc3s2)C1 ZINC000091939642 180289440 /nfs/dbraw/zinc/28/94/40/180289440.db2.gz GMYGYEIFAXETHE-WPRPVWTQSA-N 1 0 252.314 2.485 10 0 CEAERO C[NH2+]CC[C@H]1CCCCN1C(=O)N1CCCCC1 ZINC000091969510 180294557 /nfs/dbraw/zinc/29/45/57/180294557.db2.gz MCXUAHWDRKQROA-CYBMUJFWSA-N 1 0 253.390 2.056 10 0 CEAERO CCc1ccc([C@@](C)(O)C2(C[NH3+])CCOCC2)cc1 ZINC000091906810 180283988 /nfs/dbraw/zinc/28/39/88/180283988.db2.gz ZGSNOVHNPZKKBG-OAHLLOKOSA-N 1 0 263.381 2.212 10 0 CEAERO CC[C@](O)(C(C)C)[C@@]1(C[NH3+])COc2ccccc2C1 ZINC000091906666 180284114 /nfs/dbraw/zinc/28/41/14/180284114.db2.gz OCGXGPJZYIGFBD-HOTGVXAUSA-N 1 0 263.381 2.364 10 0 CEAERO [NH3+]C[C@]1([C@H](O)c2ccc(Cl)cc2Cl)CCOC1 ZINC000091909818 180284732 /nfs/dbraw/zinc/28/47/32/180284732.db2.gz LFKHSBVBKZKWLW-VXGBXAGGSA-N 1 0 276.163 2.392 10 0 CEAERO Cc1ccc([C@H](O)[C@@]2(C[NH3+])COc3ccccc3C2)o1 ZINC000091909203 180284781 /nfs/dbraw/zinc/28/47/81/180284781.db2.gz NXNVXPZLOUMKDH-HOTGVXAUSA-N 1 0 273.332 2.202 10 0 CEAERO CC(C)C1CCC(C[NH3+])([C@@H](O)c2cnn(C)c2)CC1 ZINC000091910030 180284843 /nfs/dbraw/zinc/28/48/43/180284843.db2.gz PIQJQKDMKVOFSM-BLZCZZARSA-N 1 0 265.401 2.245 10 0 CEAERO CC[C@H](C[NH3+])[C@H](O)c1ccc(OC)c(OC)c1Cl ZINC000091912692 180285156 /nfs/dbraw/zinc/28/51/56/180285156.db2.gz UHWZTBYIOVFUCO-PELKAZGASA-N 1 0 273.760 2.376 10 0 CEAERO CC[C@](C)(C[NH3+])[C@H](O)c1ccc(OC)c(OC)c1OC ZINC000091910880 180285242 /nfs/dbraw/zinc/28/52/42/180285242.db2.gz SKFVYSSTJVCQMA-HUUCEWRRSA-N 1 0 283.368 2.121 10 0 CEAERO CC[C@@H]1C[C@@](O)(C2(C[NH3+])Cc3ccccc3C2)CCO1 ZINC000091918658 180286510 /nfs/dbraw/zinc/28/65/10/180286510.db2.gz FMVFDVDNMBFPSC-NVXWUHKLSA-N 1 0 275.392 2.050 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H]2CCCc3sccc32)C1 ZINC000092052686 180313040 /nfs/dbraw/zinc/31/30/40/180313040.db2.gz QMZHBBCCUTXATH-TZMCWYRMSA-N 1 0 280.437 2.436 10 0 CEAERO O=C(N1CCC([C@H]2CCC[NH2+]2)CC1)N1CCCCCC1 ZINC000091971615 180295679 /nfs/dbraw/zinc/29/56/79/180295679.db2.gz PLZZBQQSCDBMJY-OAHLLOKOSA-N 1 0 279.428 2.446 10 0 CEAERO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N2CCCCCC2)C1 ZINC000091971654 180295701 /nfs/dbraw/zinc/29/57/01/180295701.db2.gz ARZTZPJEHCJKNN-QWHCGFSZSA-N 1 0 253.390 2.042 10 0 CEAERO CCN(C)C(=O)N(CC)[C@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000091972878 180296117 /nfs/dbraw/zinc/29/61/17/180296117.db2.gz MRNGVDYBWQKXDX-TZMCWYRMSA-N 1 0 255.406 2.288 10 0 CEAERO CC1CCN(C(=O)N[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000091991051 180299880 /nfs/dbraw/zinc/29/98/80/180299880.db2.gz NEORGOQYNKVTNY-QWHCGFSZSA-N 1 0 253.390 2.088 10 0 CEAERO CCC(C)(C)NC(=O)[C@H](C)Oc1ccc(C)nc1C[NH2+]C ZINC000091994468 180301304 /nfs/dbraw/zinc/30/13/04/180301304.db2.gz AOITWEBUJYUDGT-LBPRGKRZSA-N 1 0 293.411 2.182 10 0 CEAERO COCC[NH2+]Cc1nc(C)ccc1OCC(F)(F)F ZINC000091996557 180301768 /nfs/dbraw/zinc/30/17/68/180301768.db2.gz XJDBCPOEWJOVRL-UHFFFAOYSA-N 1 0 278.274 2.067 10 0 CEAERO Cc1ccc(O[C@@H]2CCC[C@@H]2O)c(C[NH2+]C(C)C)n1 ZINC000091995527 180301786 /nfs/dbraw/zinc/30/17/86/180301786.db2.gz QGZJWEPFCKQJQZ-DZGCQCFKSA-N 1 0 264.369 2.180 10 0 CEAERO Cc1ccc(OCCCC(=O)N(C)C)c(C[NH2+]C(C)C)n1 ZINC000091995537 180301885 /nfs/dbraw/zinc/30/18/85/180301885.db2.gz PWBNRMFEOWPJGE-UHFFFAOYSA-N 1 0 293.411 2.135 10 0 CEAERO CCC[NH2+]Cc1nc(C)ccc1OCCOCC ZINC000091995068 180301889 /nfs/dbraw/zinc/30/18/89/180301889.db2.gz HJXQVDTUULHEHY-UHFFFAOYSA-N 1 0 252.358 2.305 10 0 CEAERO COC(=O)CCOc1ccc(C)nc1C[NH2+]C(C)(C)C ZINC000091995991 180302070 /nfs/dbraw/zinc/30/20/70/180302070.db2.gz FUJBVOGPOMTPHJ-UHFFFAOYSA-N 1 0 280.368 2.220 10 0 CEAERO Cc1ccc(OC[C@H]2CCCCO2)c(C[C@@H](C)[NH3+])n1 ZINC000092000144 180303519 /nfs/dbraw/zinc/30/35/19/180303519.db2.gz XSGLHIOGMPMHDE-DGCLKSJQSA-N 1 0 264.369 2.228 10 0 CEAERO CCOC(=O)[C@H](CC)Oc1ccc(C)nc1C[C@H](C)[NH3+] ZINC000092000064 180303538 /nfs/dbraw/zinc/30/35/38/180303538.db2.gz OOBAGRJNTNOUKW-GWCFXTLKSA-N 1 0 280.368 2.000 10 0 CEAERO Cc1ccc(OCCCOCC(F)(F)F)c(CC[NH3+])n1 ZINC000091999638 180303629 /nfs/dbraw/zinc/30/36/29/180303629.db2.gz FOPBMIDOEATTER-UHFFFAOYSA-N 1 0 292.301 2.239 10 0 CEAERO CCC(CC)N(C)S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092115703 180327237 /nfs/dbraw/zinc/32/72/37/180327237.db2.gz LCYRCHIQYIYVQQ-UHFFFAOYSA-N 1 0 288.388 2.094 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)Nc1cccc(Cl)c1-n1cccn1 ZINC000092133950 180331801 /nfs/dbraw/zinc/33/18/01/180331801.db2.gz JCIUBOOBSWKOEL-SNVBAGLBSA-N 1 0 292.770 2.320 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)N(C)[C@@H](C)c1ccc(C)s1 ZINC000092134728 180332808 /nfs/dbraw/zinc/33/28/08/180332808.db2.gz DKTVMOFVYDMPAQ-KOLCDFICSA-N 1 0 254.399 2.431 10 0 CEAERO COC(C)(C)c1noc([C@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000092138090 180333471 /nfs/dbraw/zinc/33/34/71/180333471.db2.gz VGUTVWQNVSYUAZ-ZJUUUORDSA-N 1 0 253.346 2.184 10 0 CEAERO C[NH2+]C[C@H](C)Cc1c(C)nc(C(C)(C)OC)nc1C ZINC000092141095 180333478 /nfs/dbraw/zinc/33/34/78/180333478.db2.gz LMDJEZOHNMGNRX-SNVBAGLBSA-N 1 0 265.401 2.373 10 0 CEAERO C[NH2+][C@H](c1ccc(OC)c(OC)c1)C(C)(C)OC ZINC000092138932 180333538 /nfs/dbraw/zinc/33/35/38/180333538.db2.gz BITAINVAJDHYSP-CYBMUJFWSA-N 1 0 253.342 2.389 10 0 CEAERO COC(C)(C)c1noc([C@H](C[NH3+])c2ccccc2)n1 ZINC000092137911 180333574 /nfs/dbraw/zinc/33/35/74/180333574.db2.gz KEOXPVYSDKMDGQ-LLVKDONJSA-N 1 0 261.325 2.042 10 0 CEAERO C[NH2+][C@H](Cc1ccc(OC)c(F)c1)C(C)(C)OC ZINC000092138822 180333664 /nfs/dbraw/zinc/33/36/64/180333664.db2.gz CRKKYFVOFYNDDH-CYBMUJFWSA-N 1 0 255.333 2.390 10 0 CEAERO CC[NH2+][C@@H](c1cc(Cl)cnc1N)C(C)(C)OC ZINC000092139281 180333816 /nfs/dbraw/zinc/33/38/16/180333816.db2.gz RJWUWYTWUKBXBZ-JTQLQIEISA-N 1 0 257.765 2.393 10 0 CEAERO C[C@H](O)CCC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000092151325 180334657 /nfs/dbraw/zinc/33/46/57/180334657.db2.gz GIOOYEHQHRXWPD-GOEBONIOSA-N 1 0 290.407 2.101 10 0 CEAERO CC1(C)C[C@@H]([NH2+]CC2(O)CCSCC2)C(C)(C)O1 ZINC000151623257 539796709 /nfs/dbraw/zinc/79/67/09/539796709.db2.gz IETFGOKSUHNVPR-LLVKDONJSA-N 1 0 273.442 2.180 10 0 CEAERO Cc1ccc(NC(=O)C[NH+]2C[C@@H](C)[C@H](C)C2)c(N)c1 ZINC000092081308 180319336 /nfs/dbraw/zinc/31/93/36/180319336.db2.gz OMLKLTLPGLMKIC-VXGBXAGGSA-N 1 0 261.369 2.104 10 0 CEAERO COCc1ccc([C@H](CN)[N@@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000092082971 180319372 /nfs/dbraw/zinc/31/93/72/180319372.db2.gz SDFQMSHNGJBVSP-ZENOOKHLSA-N 1 0 262.397 2.421 10 0 CEAERO Cc1ccc(NC(=O)C[NH+]2C[C@@H](C)[C@H](C)C2)cc1N ZINC000092081434 180319420 /nfs/dbraw/zinc/31/94/20/180319420.db2.gz GJZMBELFJYJYAW-VXGBXAGGSA-N 1 0 261.369 2.104 10 0 CEAERO Cc1c(N)cccc1NC(=O)C[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000092081635 180319684 /nfs/dbraw/zinc/31/96/84/180319684.db2.gz OHZVYIIPYDRIRG-QWRGUYRKSA-N 1 0 261.369 2.104 10 0 CEAERO C[C@H]1C[NH+](Cc2cc3c(cc2N)OCCO3)C[C@@H]1C ZINC000092080858 180319815 /nfs/dbraw/zinc/31/98/15/180319815.db2.gz ZPGDCPJRIJBRDI-QWRGUYRKSA-N 1 0 262.353 2.128 10 0 CEAERO COc1ccc2nc(NC(=O)[C@@H]3C=C[C@H]([NH3+])C3)sc2c1 ZINC000092201434 180342674 /nfs/dbraw/zinc/34/26/74/180342674.db2.gz CEPPRDINALMLDU-BDAKNGLRSA-N 1 0 289.360 2.147 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)Nc2cccc3c2CCCC3)C1 ZINC000092201242 180342804 /nfs/dbraw/zinc/34/28/04/180342804.db2.gz YJKNDHQFHANGAL-OLZOCXBDSA-N 1 0 256.349 2.407 10 0 CEAERO COc1cc(OC)c(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)cc1Cl ZINC000092201342 180342895 /nfs/dbraw/zinc/34/28/95/180342895.db2.gz LZROBUYTJCUCSP-DTWKUNHWSA-N 1 0 296.754 2.199 10 0 CEAERO CC(C)Oc1ccccc1NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092202283 180343001 /nfs/dbraw/zinc/34/30/01/180343001.db2.gz AZHFZXLDJJKSCF-VXGBXAGGSA-N 1 0 260.337 2.316 10 0 CEAERO CN(C)c1c(Cl)cccc1NC(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092202294 180343042 /nfs/dbraw/zinc/34/30/42/180343042.db2.gz RVVJKMSRIRZOGD-VHSXEESVSA-N 1 0 279.771 2.248 10 0 CEAERO COc1cc(Cl)c(NC(=O)[C@H]2C=C[C@H]([NH3+])C2)cc1OC ZINC000092203151 180343358 /nfs/dbraw/zinc/34/33/58/180343358.db2.gz JPTHEHMDFUVTTQ-IUCAKERBSA-N 1 0 296.754 2.199 10 0 CEAERO CC[C@H](NC(=O)[C@H]1C=C[C@@H]([NH3+])C1)c1ccccc1OC ZINC000092202983 180343375 /nfs/dbraw/zinc/34/33/75/180343375.db2.gz GLRSPNNBUAUFTR-SCRDCRAPSA-N 1 0 274.364 2.166 10 0 CEAERO CCOC(=O)Nc1ccc(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)cc1 ZINC000092203080 180343434 /nfs/dbraw/zinc/34/34/34/180343434.db2.gz RIHLNHSZAOHUKX-MNOVXSKESA-N 1 0 289.335 2.097 10 0 CEAERO CCOc1cc(F)ccc1NC(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092203757 180343525 /nfs/dbraw/zinc/34/35/25/180343525.db2.gz HPRYBBKSULVYFJ-GXSJLCMTSA-N 1 0 264.300 2.066 10 0 CEAERO CN(Cc1c(F)cccc1Cl)C(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092204421 180343740 /nfs/dbraw/zinc/34/37/40/180343740.db2.gz WBDYHKJCZGVBDT-VHSXEESVSA-N 1 0 282.746 2.341 10 0 CEAERO Cc1ccc(NC(=O)[C@H]2C=C[C@H]([NH3+])C2)c2cccnc12 ZINC000092203795 180343885 /nfs/dbraw/zinc/34/38/85/180343885.db2.gz TXACTUARLSZTCT-RYUDHWBXSA-N 1 0 267.332 2.385 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)Nc2cccc(-c3cnco3)c2)C1 ZINC000092204219 180343898 /nfs/dbraw/zinc/34/38/98/180343898.db2.gz BTRXMHJPZLDBIA-NWDGAFQWSA-N 1 0 269.304 2.184 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)Nc2ccc(OC(F)F)c(F)c2)C1 ZINC000092204165 180343904 /nfs/dbraw/zinc/34/39/04/180343904.db2.gz KFOKPICWYDYQRP-YUMQZZPRSA-N 1 0 286.253 2.269 10 0 CEAERO CCCOc1ccc(NC(=O)[C@H]2C=C[C@H]([NH3+])C2)cc1 ZINC000092207293 180344197 /nfs/dbraw/zinc/34/41/97/180344197.db2.gz ROHURGHWHUKQCB-RYUDHWBXSA-N 1 0 260.337 2.317 10 0 CEAERO CN(C(=O)[C@@H]1C=C[C@H]([NH3+])C1)C1C2CC3CC(C2)CC1C3 ZINC000092204992 180344199 /nfs/dbraw/zinc/34/41/99/180344199.db2.gz WUWFVKHXOHGPDG-PGOZJSOXSA-N 1 0 274.408 2.173 10 0 CEAERO CCC1CCC(CNC(=O)[C@@H]2C=C[C@H]([NH3+])C2)CC1 ZINC000092205760 180344263 /nfs/dbraw/zinc/34/42/63/180344263.db2.gz YBHLELJXIHOFCJ-PQAZSJQKSA-N 1 0 250.386 2.222 10 0 CEAERO Cc1ccc(CN(C(=O)[C@@H]2C=C[C@@H]([NH3+])C2)C(C)C)o1 ZINC000092205296 180344273 /nfs/dbraw/zinc/34/42/73/180344273.db2.gz GLSIGIURJYJBQL-CHWSQXEVSA-N 1 0 262.353 2.228 10 0 CEAERO CN(C(=O)[C@@H]1C=C[C@@H]([NH3+])C1)C1C2CC3CC(C2)CC1C3 ZINC000092204990 180344359 /nfs/dbraw/zinc/34/43/59/180344359.db2.gz WUWFVKHXOHGPDG-WBSGLHFFSA-N 1 0 274.408 2.173 10 0 CEAERO CCCC1CCC(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)CC1 ZINC000092206960 180344372 /nfs/dbraw/zinc/34/43/72/180344372.db2.gz XBYDYJFRBYINKJ-DKNRTOFZSA-N 1 0 250.386 2.365 10 0 CEAERO CSc1ccc(C(=O)N[C@@H]2CCCC[NH2+]C2)cc1 ZINC000092232201 180348310 /nfs/dbraw/zinc/34/83/10/180348310.db2.gz RYXNHMLVYHZBLG-GFCCVEGCSA-N 1 0 264.394 2.280 10 0 CEAERO CCC[C@@H](C[NH3+])NC(=O)c1ccccc1SC ZINC000092232365 180348742 /nfs/dbraw/zinc/34/87/42/180348742.db2.gz FWXARDOEFHEUGP-JTQLQIEISA-N 1 0 252.383 2.266 10 0 CEAERO C[NH2+]Cc1cn(C[C@@H]2COc3ccccc32)nc1C ZINC000092306684 180360278 /nfs/dbraw/zinc/36/02/78/180360278.db2.gz YFFJXAFCYUDMKS-CYBMUJFWSA-N 1 0 257.337 2.087 10 0 CEAERO CN(C(=O)[C@@H]1Cc2ccccc2S1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000092232463 180349297 /nfs/dbraw/zinc/34/92/97/180349297.db2.gz ALXCHRLYIBVBKE-NFAWXSAZSA-N 1 0 290.432 2.289 10 0 CEAERO CC[C@]1(C)CN(C[C@@H]2COc3ccccc32)CC[NH2+]1 ZINC000092307231 180360335 /nfs/dbraw/zinc/36/03/35/180360335.db2.gz NLYYULKXGCCQGT-CZUORRHYSA-N 1 0 260.381 2.237 10 0 CEAERO c1ccc2c(c1)OC[C@@H]2CN1CC[NH2+]C2(CCCC2)C1 ZINC000092307236 180360338 /nfs/dbraw/zinc/36/03/38/180360338.db2.gz FPSCWSYOXUOHDG-AWEZNQCLSA-N 1 0 272.392 2.381 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H](C)N1C(=O)[C@@H]1CSc2ccccc21 ZINC000092239506 180351037 /nfs/dbraw/zinc/35/10/37/180351037.db2.gz JIKYLLDDKHKINS-NTZNESFSSA-N 1 0 276.405 2.085 10 0 CEAERO c1ccc2c(c1)C[C@@H](C[NH2+][C@H]1CN3CCC1CC3)S2 ZINC000092242336 180351780 /nfs/dbraw/zinc/35/17/80/180351780.db2.gz DRIHMTMYXYWVAZ-GJZGRUSLSA-N 1 0 274.433 2.387 10 0 CEAERO C[C@H]([NH3+])Cc1nccn1C[C@@H]1Cc2ccccc2S1 ZINC000092271375 180356650 /nfs/dbraw/zinc/35/66/50/180356650.db2.gz WPERWTDVMGLRLE-AAEUAGOBSA-N 1 0 273.405 2.490 10 0 CEAERO CCCC[NH+]1CCN([C@@H](C)c2nc(CC)no2)CC1 ZINC000105865511 186081386 /nfs/dbraw/zinc/08/13/86/186081386.db2.gz WMYYRHAYXRIYHH-LBPRGKRZSA-N 1 0 266.389 2.111 10 0 CEAERO c1ncn(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000105883003 186083085 /nfs/dbraw/zinc/08/30/85/186083085.db2.gz AIMMVOOPYYIHIJ-HNNXBMFYSA-N 1 0 256.353 2.190 10 0 CEAERO Fc1ccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1F ZINC000105883322 186083314 /nfs/dbraw/zinc/08/33/14/186083314.db2.gz IEAVQAAQYQXLRY-CYBMUJFWSA-N 1 0 292.333 2.469 10 0 CEAERO COc1ccc(-c2noc([C@H]3C=C[C@@H]([NH3+])C3)n2)cc1OC ZINC000092181457 180338471 /nfs/dbraw/zinc/33/84/71/180338471.db2.gz CEKKZJGNXRUQBO-WDEREUQCSA-N 1 0 287.319 2.125 10 0 CEAERO [NH3+][C@H]1C=C[C@H](c2nc(COc3ccccc3)no2)C1 ZINC000092181738 180338903 /nfs/dbraw/zinc/33/89/03/180338903.db2.gz FBEJWKMDIGBBCQ-QWRGUYRKSA-N 1 0 257.293 2.019 10 0 CEAERO Cc1cc(-c2noc([C@@H]3C=C[C@H]([NH3+])C3)n2)cc(C)c1O ZINC000092182159 180339051 /nfs/dbraw/zinc/33/90/51/180339051.db2.gz QAHYXUVIQNLNME-PWSUYJOCSA-N 1 0 271.320 2.430 10 0 CEAERO CCCC[C@H](C(=O)OC)[NH+]1CCC(Cn2cccn2)CC1 ZINC000105920076 186090235 /nfs/dbraw/zinc/09/02/35/186090235.db2.gz SJYGXNUMYUXELD-OAHLLOKOSA-N 1 0 293.411 2.327 10 0 CEAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CCCCCO ZINC000105922152 186090483 /nfs/dbraw/zinc/09/04/83/186090483.db2.gz FJXYAKBCOQNIMT-CQSZACIVSA-N 1 0 265.401 2.336 10 0 CEAERO CCc1nc(C2CC2)nc(CC)c1CC[NH2+]CCOC ZINC000092319030 180361664 /nfs/dbraw/zinc/36/16/64/180361664.db2.gz KSOABRVQXFSQGB-UHFFFAOYSA-N 1 0 277.412 2.257 10 0 CEAERO CC(C)Oc1cccc(CN2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000105924702 186091180 /nfs/dbraw/zinc/09/11/80/186091180.db2.gz YDAFJIXXFLMBNJ-QGZVFWFLSA-N 1 0 292.423 2.236 10 0 CEAERO CCC[NH2+]CCc1c(C)nn(-c2cc(C)ncn2)c1C ZINC000092322844 180362277 /nfs/dbraw/zinc/36/22/77/180362277.db2.gz KRMDBOFINWLZAV-UHFFFAOYSA-N 1 0 273.384 2.130 10 0 CEAERO CCn1cnnc1C1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000105929610 186092371 /nfs/dbraw/zinc/09/23/71/186092371.db2.gz ASIVYJLYDAXJON-AWEZNQCLSA-N 1 0 278.400 2.047 10 0 CEAERO Cc1noc(C)c1[C@@H](C)[NH2+]C[C@@H]1CCCCN1C ZINC000092327791 180363003 /nfs/dbraw/zinc/36/30/03/180363003.db2.gz UXWZEEMVKVOHMT-MFKMUULPSA-N 1 0 251.374 2.426 10 0 CEAERO Cc1noc(C)c1[C@H](C)NC(=O)C[C@H](C[NH3+])CC(C)C ZINC000092330048 180363987 /nfs/dbraw/zinc/36/39/87/180363987.db2.gz VORLRROKTQGIRW-GXFFZTMASA-N 1 0 281.400 2.480 10 0 CEAERO CC(C)c1ccc(C[NH2+][C@H]2CC(=O)N(C3CC3)C2=O)cc1 ZINC000106050854 186100153 /nfs/dbraw/zinc/10/01/53/186100153.db2.gz RELGWNNAFRSUCA-HNNXBMFYSA-N 1 0 286.375 2.190 10 0 CEAERO Cc1nn(C)c(C)c1CN1CC[C@@H](C[NH2+]C(C)(C)C)C1 ZINC000092339842 180365180 /nfs/dbraw/zinc/36/51/80/180365180.db2.gz XHPGQVHBYKXFEP-AWEZNQCLSA-N 1 0 278.444 2.247 10 0 CEAERO CCC[NH2+][C@H]1CCCN(Cc2c(C)noc2C)C1 ZINC000092342076 180366127 /nfs/dbraw/zinc/36/61/27/180366127.db2.gz LEZVCCYTYKHXEZ-ZDUSSCGKSA-N 1 0 251.374 2.255 10 0 CEAERO CCCN(CC[NH+](C)C)Cc1cccc(NCC)n1 ZINC000092369359 180369754 /nfs/dbraw/zinc/36/97/54/180369754.db2.gz GAXBDBVRNFTGKL-UHFFFAOYSA-N 1 0 264.417 2.287 10 0 CEAERO COc1ccc2c(c1)[C@@]([NH3+])(c1cncnc1)CCC2 ZINC000092367247 180370101 /nfs/dbraw/zinc/37/01/01/180370101.db2.gz AKUUZLSIRCYQKE-HNNXBMFYSA-N 1 0 255.321 2.024 10 0 CEAERO CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CN(C)CCO2)cc1 ZINC000106388062 186113708 /nfs/dbraw/zinc/11/37/08/186113708.db2.gz BIZJMJQBNUGBDX-CZUORRHYSA-N 1 0 262.397 2.230 10 0 CEAERO CN(C)c1cccc(OCc2cccc(NN)[nH+]2)c1 ZINC000092371388 180371042 /nfs/dbraw/zinc/37/10/42/180371042.db2.gz HBHWZFNVICOLPF-UHFFFAOYSA-N 1 0 258.325 2.012 10 0 CEAERO CCN(CC)C(=O)C[N@@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000105894771 186086582 /nfs/dbraw/zinc/08/65/82/186086582.db2.gz XCWZDQOUANPUFX-AWEZNQCLSA-N 1 0 292.427 2.042 10 0 CEAERO CCCS(=O)(=O)[C@H]1CCc2ccc(OC)cc2[C@H]1[NH2+]C ZINC000092388645 180374574 /nfs/dbraw/zinc/37/45/74/180374574.db2.gz SNIBXGUIECGBIV-LSDHHAIUSA-N 1 0 297.420 2.095 10 0 CEAERO CCOC(=O)CS[C@H]1CCc2ccc(OC)cc2[C@@H]1[NH3+] ZINC000092389442 180375475 /nfs/dbraw/zinc/37/54/75/180375475.db2.gz GGHYTJDIKSLNQW-ZFWWWQNUSA-N 1 0 295.404 2.306 10 0 CEAERO COc1ccc([C@H]2C[NH2+][C@@H](C(C)C)CO2)cc1OC ZINC000092403140 180378343 /nfs/dbraw/zinc/37/83/43/180378343.db2.gz QOQVJEFJJQYRLL-IUODEOHRSA-N 1 0 265.353 2.389 10 0 CEAERO CCCNc1cc[nH+]c(Cn2c(=O)oc3cccnc32)c1 ZINC000092419929 180382029 /nfs/dbraw/zinc/38/20/29/180382029.db2.gz QSRKJTRHEWFACU-UHFFFAOYSA-N 1 0 284.319 2.255 10 0 CEAERO CCNc1cc[nH+]c(CN2C(=O)CC(C)(C)CC2=O)c1 ZINC000092419784 180382397 /nfs/dbraw/zinc/38/23/97/180382397.db2.gz MJEQCZYCWLIEKB-UHFFFAOYSA-N 1 0 275.352 2.189 10 0 CEAERO CCNc1cc[nH+]c(Cn2c3ccccc3oc2=O)c1 ZINC000092419583 180382421 /nfs/dbraw/zinc/38/24/21/180382421.db2.gz WFKNDVFWNYRLBM-UHFFFAOYSA-N 1 0 269.304 2.470 10 0 CEAERO CC[N@H+](Cc1ccccc1)Cc1cc(NN)ccn1 ZINC000092425146 180383765 /nfs/dbraw/zinc/38/37/65/180383765.db2.gz UJXUFCTXOKRWBK-UHFFFAOYSA-N 1 0 256.353 2.389 10 0 CEAERO CC[NH2+][C@@H]1C(=O)Nc2cc(Sc3nnc(C)o3)ccc21 ZINC000106850935 186141721 /nfs/dbraw/zinc/14/17/21/186141721.db2.gz KAOKTXZXVVHPHW-NSHDSACASA-N 1 0 290.348 2.132 10 0 CEAERO CCCN1C(=O)C[C@H]([NH2+][C@H](CC)C2CCCCC2)C1=O ZINC000107290482 186166855 /nfs/dbraw/zinc/16/68/55/186166855.db2.gz AASOMZRHSQMHBR-KGLIPLIRSA-N 1 0 280.412 2.472 10 0 CEAERO Cc1cccc(CN2CCCC[C@@H]2C[NH2+]C2CC2)n1 ZINC000092430023 180384525 /nfs/dbraw/zinc/38/45/25/180384525.db2.gz BXEDTWOEMMBOEW-MRXNPFEDSA-N 1 0 259.397 2.497 10 0 CEAERO FC(F)(F)CNCC[NH2+][C@H]1C[C@H]1c1ccccc1 ZINC000092435255 180385049 /nfs/dbraw/zinc/38/50/49/180385049.db2.gz YRMOLQTWGLRFHY-RYUDHWBXSA-N 1 0 258.287 2.284 10 0 CEAERO [NH3+]CC1(NC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)CCCC1 ZINC000107914876 186197192 /nfs/dbraw/zinc/19/71/92/186197192.db2.gz YCUDWIKORAOREQ-XQQFMLRXSA-N 1 0 250.386 2.200 10 0 CEAERO C[C@@H]1CCCC[N@@H+]1CCCn1c(N)nc2cnccc21 ZINC000092513556 180399655 /nfs/dbraw/zinc/39/96/55/180399655.db2.gz YEEJIZZFJKAVMQ-GFCCVEGCSA-N 1 0 273.384 2.278 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)c2csc(-c3ccoc3)n2)C1 ZINC000108270535 186209509 /nfs/dbraw/zinc/20/95/09/186209509.db2.gz JQVVZQJITODOAH-NSHDSACASA-N 1 0 291.376 2.179 10 0 CEAERO CC[NH2+][C@H]1CCC[C@@H]1c1nc(-c2cccnc2)no1 ZINC000109495214 186256687 /nfs/dbraw/zinc/25/66/87/186256687.db2.gz KOKZNIWBPJGTOD-RYUDHWBXSA-N 1 0 258.325 2.377 10 0 CEAERO CCC[C@@H]([NH3+])Cc1nc(Cc2ccc(F)cc2)no1 ZINC000109501354 186257339 /nfs/dbraw/zinc/25/73/39/186257339.db2.gz ODTQVDOXRBJLEI-GFCCVEGCSA-N 1 0 263.316 2.469 10 0 CEAERO C[NH2+][C@@H](C)[C@H](C)c1nc(-c2ccccc2OC)no1 ZINC000109503861 186257679 /nfs/dbraw/zinc/25/76/79/186257679.db2.gz PBQIUFLHMPFIPU-UWVGGRQHSA-N 1 0 261.325 2.457 10 0 CEAERO Cc1nc(Cc2noc([C@H]3CCC[C@@H]3[NH3+])n2)cs1 ZINC000109511356 186258385 /nfs/dbraw/zinc/25/83/85/186258385.db2.gz SVVOIWCYUIAVTR-UWVGGRQHSA-N 1 0 264.354 2.020 10 0 CEAERO C[NH2+][C@@H](Cc1nc(Cc2ccncc2)no1)C(C)(C)C ZINC000109509094 186258539 /nfs/dbraw/zinc/25/85/39/186258539.db2.gz QEBSTGKPFAUNHY-LBPRGKRZSA-N 1 0 274.368 2.232 10 0 CEAERO C[NH2+][C@@H](Cc1nc(Cc2cc(F)cc(F)c2)no1)C1CC1 ZINC000109516966 186259045 /nfs/dbraw/zinc/25/90/45/186259045.db2.gz KHGWSQWARIYXBY-ZDUSSCGKSA-N 1 0 293.317 2.479 10 0 CEAERO [NH3+]Cc1ccc(CN2C(=O)CC3(CCCC3)C2=O)c(F)c1 ZINC000109540560 186261274 /nfs/dbraw/zinc/26/12/74/186261274.db2.gz KMEFNUJSSKRWQL-UHFFFAOYSA-N 1 0 290.338 2.104 10 0 CEAERO C[NH2+][C@H](C)c1ccc(NC(=O)N[C@H]2CCCOC2)cc1 ZINC000109552721 186262742 /nfs/dbraw/zinc/26/27/42/186262742.db2.gz GEXUAZVRDJEXJO-RISCZKNCSA-N 1 0 277.368 2.268 10 0 CEAERO CCC[NH2+][C@H]1c2ccc(OCC3CC3)cc2NC1=O ZINC000109573453 186263438 /nfs/dbraw/zinc/26/34/38/186263438.db2.gz YGDCBMJFAPPVHC-AWEZNQCLSA-N 1 0 260.337 2.468 10 0 CEAERO C[NH2+][C@@H]1C(=O)Nc2cc(-n3ccc(C(C)C)n3)ccc21 ZINC000109573243 186263527 /nfs/dbraw/zinc/26/35/27/186263527.db2.gz XHCPSQKHGRNAAV-AWEZNQCLSA-N 1 0 270.336 2.208 10 0 CEAERO CN(c1cc(CO)nc2ccccc21)[C@H]1CCC[N@H+](C)C1 ZINC000109594725 186265035 /nfs/dbraw/zinc/26/50/35/186265035.db2.gz WQCCMSRLPNUQBC-AWEZNQCLSA-N 1 0 285.391 2.258 10 0 CEAERO CC(C)[C@@H]([NH2+]CCc1nncn1C)c1ccccc1 ZINC000109422581 186251963 /nfs/dbraw/zinc/25/19/63/186251963.db2.gz JSQDQZLKMWROBE-OAHLLOKOSA-N 1 0 258.369 2.345 10 0 CEAERO CCC[C@@H](C(N)=S)[NH+]1CCN(C[C@H](C)CC)CC1 ZINC000109470210 186254586 /nfs/dbraw/zinc/25/45/86/186254586.db2.gz YVHZSAXIKLNGDC-OLZOCXBDSA-N 1 0 271.474 2.105 10 0 CEAERO CCC[C@H](C(N)=S)[NH+]1CCN(c2nc(C)cs2)CC1 ZINC000109471655 186254859 /nfs/dbraw/zinc/25/48/59/186254859.db2.gz SAUYEKFWUCWTPS-LLVKDONJSA-N 1 0 298.481 2.028 10 0 CEAERO Cc1cc(-c2nc([C@H](C)N3CC[NH2+]CC3)no2)ccc1F ZINC000109474279 186254986 /nfs/dbraw/zinc/25/49/86/186254986.db2.gz JPKUWUNLJQYKMS-NSHDSACASA-N 1 0 290.342 2.150 10 0 CEAERO CC(=O)N[C@H]1CCC[N@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000110107517 186285447 /nfs/dbraw/zinc/28/54/47/186285447.db2.gz GFJBYGFZNIAFKL-HNNXBMFYSA-N 1 0 299.374 2.041 10 0 CEAERO Cc1nnc(S[C@@H](C)C[NH2+]CCC(C)C)n1C ZINC000110250206 186289032 /nfs/dbraw/zinc/28/90/32/186289032.db2.gz AQIUNRVGGIBERE-JTQLQIEISA-N 1 0 256.419 2.240 10 0 CEAERO Cc1nc(N2CC[C@@H]([NH+]3CCCCC3)C2)sc1C=O ZINC000110272252 186289923 /nfs/dbraw/zinc/28/99/23/186289923.db2.gz RSQQSKDFTMKJGZ-GFCCVEGCSA-N 1 0 279.409 2.329 10 0 CEAERO CCC[C@H]([NH3+])Cc1nc(-c2cccc(OC)c2)no1 ZINC000110444823 186296765 /nfs/dbraw/zinc/29/67/65/186296765.db2.gz DHVFAHNUXDUHJU-NSHDSACASA-N 1 0 261.325 2.415 10 0 CEAERO CCC[NH2+]Cc1nnc([C@@H]2COc3ccccc3C2)o1 ZINC000110541150 186302387 /nfs/dbraw/zinc/30/23/87/186302387.db2.gz VNMBJXOQEJDRQY-LBPRGKRZSA-N 1 0 273.336 2.288 10 0 CEAERO CC(C)CN(CCC[NH3+])C(=O)[C@@H]1COc2ccccc2C1 ZINC000110539650 186302523 /nfs/dbraw/zinc/30/25/23/186302523.db2.gz WRKNIKHNMYLCSF-HNNXBMFYSA-N 1 0 290.407 2.071 10 0 CEAERO C[C@@H]1CCN(C(=O)Cc2ccc(C[NH3+])cc2)[C@H](C)C1 ZINC000110613986 186304830 /nfs/dbraw/zinc/30/48/30/186304830.db2.gz HOZOTEIKXPKKDI-CHWSQXEVSA-N 1 0 260.381 2.335 10 0 CEAERO [NH3+]CC1CCC(CC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1 ZINC000110617756 186305303 /nfs/dbraw/zinc/30/53/03/186305303.db2.gz YMTGSUOGXMJEOH-FJBKBRRZSA-N 1 0 294.439 2.312 10 0 CEAERO CC[C@H](C)N(CCOC)C(=O)CC1CCC(C[NH3+])CC1 ZINC000110618172 186305498 /nfs/dbraw/zinc/30/54/98/186305498.db2.gz NNXKQRFMRLNRII-NFOMZHRRSA-N 1 0 284.444 2.415 10 0 CEAERO CCN(C(=O)CC1CCC(C[NH3+])CC1)[C@H](C)COC ZINC000110617939 186306021 /nfs/dbraw/zinc/30/60/21/186306021.db2.gz IOUSLYFWTPCJMP-IYXRBSQSSA-N 1 0 270.417 2.025 10 0 CEAERO COc1cc(NCC(C)(C)C[NH+](C)C)c(N)cc1F ZINC000110625458 186306213 /nfs/dbraw/zinc/30/62/13/186306213.db2.gz XMWLQIONQOJYSN-UHFFFAOYSA-N 1 0 269.364 2.416 10 0 CEAERO CCCOc1cc(N2CC[C@H]([NH+](C)C)C2)c(N)cc1F ZINC000110641408 186307279 /nfs/dbraw/zinc/30/72/79/186307279.db2.gz MXNAKSHCKVHJKV-NSHDSACASA-N 1 0 281.375 2.337 10 0 CEAERO COc1cc2c(cc1F)[nH+]c(N)n2CCCn1ccnc1 ZINC000110629239 186307313 /nfs/dbraw/zinc/30/73/13/186307313.db2.gz ANAODHBMXWPQFR-UHFFFAOYSA-N 1 0 289.314 2.053 10 0 CEAERO CC(C)n1cccc1C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000110646618 186309059 /nfs/dbraw/zinc/30/90/59/186309059.db2.gz XBCYLZFBKZMHCR-GFCCVEGCSA-N 1 0 263.385 2.268 10 0 CEAERO CC[C@]1(C(=O)N2CCC[C@@H](C)CC2)CCC[NH2+]C1 ZINC000110814933 186326048 /nfs/dbraw/zinc/32/60/48/186326048.db2.gz FFOAPJKAOIVRLR-HIFRSBDPSA-N 1 0 252.402 2.415 10 0 CEAERO C[C@@H]1CC[C@H](C(=O)N(C)CC2CCCC2)C[C@@H]1[NH3+] ZINC000110848155 186329698 /nfs/dbraw/zinc/32/96/98/186329698.db2.gz AVGWIZZIXUHSCD-XBFCOCLRSA-N 1 0 252.402 2.399 10 0 CEAERO CCCCOC[C@H](O)C[N@@H+]1C[C@@H]2CCCC[C@@]21C ZINC000626103603 350653948 /nfs/dbraw/zinc/65/39/48/350653948.db2.gz HOFGPHZXXJNQQH-ZNMIVQPWSA-N 1 0 255.402 2.429 10 0 CEAERO NC(=[NH2+])c1cc2c(nc1Sc1cnccn1)CCCC2 ZINC000110913500 186332872 /nfs/dbraw/zinc/33/28/72/186332872.db2.gz FPPHXWXBIYZJBK-UHFFFAOYSA-N 1 0 285.376 2.186 10 0 CEAERO Cc1ccc2c(CN(C)[C@H]3CCC[NH2+]C3)cc(=O)oc2c1 ZINC000110929242 186333286 /nfs/dbraw/zinc/33/32/86/186333286.db2.gz SKQBRRWDWKEKPE-AWEZNQCLSA-N 1 0 286.375 2.285 10 0 CEAERO CCOc1ccc(C(C)=O)cc1CN(C)[C@@H]1CCC[NH2+]C1 ZINC000110931946 186333422 /nfs/dbraw/zinc/33/34/22/186333422.db2.gz WGECBNLMTITXLX-MRXNPFEDSA-N 1 0 290.407 2.472 10 0 CEAERO CN(CC(=O)Nc1ccc(F)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000110930339 186333575 /nfs/dbraw/zinc/33/35/75/186333575.db2.gz HOYFLDOTRWUCOA-LLVKDONJSA-N 1 0 299.777 2.101 10 0 CEAERO C[C@@H](Oc1cccc(Cl)c1)C(=O)N(C)[C@H]1CCC[NH2+]C1 ZINC000110926851 186333875 /nfs/dbraw/zinc/33/38/75/186333875.db2.gz HDQPKNVKLNCXRW-YPMHNXCESA-N 1 0 296.798 2.318 10 0 CEAERO CCN(Cc1ccc(-n2cccn2)cc1)[C@H]1CCC[NH2+]C1 ZINC000110942595 186334502 /nfs/dbraw/zinc/33/45/02/186334502.db2.gz OSFUNRZWHSILBQ-KRWDZBQOSA-N 1 0 284.407 2.446 10 0 CEAERO CCCN(Cc1ccc2c(c1)OCO2)[C@H]1CCC[NH2+]C1 ZINC000110939087 186334740 /nfs/dbraw/zinc/33/47/40/186334740.db2.gz LRWZZXJTZGCEPU-AWEZNQCLSA-N 1 0 276.380 2.379 10 0 CEAERO CCCN(C(=O)c1cccn1C1CC1)[C@H]1CCC[NH2+]C1 ZINC000110941038 186334853 /nfs/dbraw/zinc/33/48/53/186334853.db2.gz HYEYDWLXMKEKPW-AWEZNQCLSA-N 1 0 275.396 2.427 10 0 CEAERO Cc1cccc(-n2c(CC[NH3+])nc3ccccc32)n1 ZINC000110949136 186335396 /nfs/dbraw/zinc/33/53/96/186335396.db2.gz SFOKHIOWQKDBPP-UHFFFAOYSA-N 1 0 252.321 2.230 10 0 CEAERO CCN(CCOc1ccc(C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000110944922 186335736 /nfs/dbraw/zinc/33/57/36/186335736.db2.gz OYROVHQPLJGYJG-OAHLLOKOSA-N 1 0 262.397 2.448 10 0 CEAERO CCN(Cc1noc(-c2ccccc2)n1)[C@H]1CCC[NH2+]C1 ZINC000110944112 186335931 /nfs/dbraw/zinc/33/59/31/186335931.db2.gz XPXDIDJOUAGODC-AWEZNQCLSA-N 1 0 286.379 2.311 10 0 CEAERO Cc1ccc([C@H](C)[NH3+])c(OCCCC(=O)N(C)C)c1 ZINC000110958468 186337023 /nfs/dbraw/zinc/33/70/23/186337023.db2.gz GCZRLMRDPBOMKL-LBPRGKRZSA-N 1 0 264.369 2.262 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccc(C)cc1O[C@H](C)C(N)=O ZINC000110961927 186337710 /nfs/dbraw/zinc/33/77/10/186337710.db2.gz NDERSNXKVNPCDR-NWDGAFQWSA-N 1 0 264.369 2.308 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccc(C)cc1OCCOCCO ZINC000110962032 186337884 /nfs/dbraw/zinc/33/78/84/186337884.db2.gz CXYAYRMCDVULDY-AWEZNQCLSA-N 1 0 281.396 2.443 10 0 CEAERO CCC[NH2+][C@H](C)c1ccc(C)cc1OCCOCCO ZINC000110962034 186338293 /nfs/dbraw/zinc/33/82/93/186338293.db2.gz CXYAYRMCDVULDY-CQSZACIVSA-N 1 0 281.396 2.443 10 0 CEAERO COCC[NH2+]C[C@@H](C)Oc1ccccc1SC ZINC000110985898 186339349 /nfs/dbraw/zinc/33/93/49/186339349.db2.gz OILASSRGQWPUHD-LLVKDONJSA-N 1 0 255.383 2.412 10 0 CEAERO [NH3+]Cc1c(Oc2ccccc2CO)nc2ccccn21 ZINC000110994287 186340705 /nfs/dbraw/zinc/34/07/05/186340705.db2.gz DXYHVWSKBJHRKX-UHFFFAOYSA-N 1 0 269.304 2.078 10 0 CEAERO CC[C@@H]1CN(CC(=O)c2ccc(F)cc2)CC[N@@H+]1C ZINC000110728613 186317535 /nfs/dbraw/zinc/31/75/35/186317535.db2.gz JNUYJUNRUFJNAH-CQSZACIVSA-N 1 0 264.344 2.034 10 0 CEAERO C[C@@H]1CN(CCC(=O)c2ccc(F)cc2)CC[N@@H+]1C ZINC000110727231 186317687 /nfs/dbraw/zinc/31/76/87/186317687.db2.gz AJZDXCRAKKFCEC-GFCCVEGCSA-N 1 0 264.344 2.034 10 0 CEAERO O[C@@H]1C[NH2+]C[C@@H]1Sc1ncc(C(F)(F)F)cc1Cl ZINC000111060279 186349404 /nfs/dbraw/zinc/34/94/04/186349404.db2.gz UESFULGRNQUCKT-SFYZADRCSA-N 1 0 298.717 2.179 10 0 CEAERO O[C@H]1C[NH2+]C[C@H]1Oc1ccc(Oc2ccccc2)cc1 ZINC000111059749 186349519 /nfs/dbraw/zinc/34/95/19/186349519.db2.gz PGWPVWNQSXHYBB-JKSUJKDBSA-N 1 0 271.316 2.190 10 0 CEAERO CC[C@H]([NH3+])[C@H](SCCS(C)(=O)=O)c1ccc(C)o1 ZINC000111004468 186341603 /nfs/dbraw/zinc/34/16/03/186341603.db2.gz BOFKVJZXRVPAMT-JQWIXIFHSA-N 1 0 291.438 2.144 10 0 CEAERO C[C@H](C[NH+]1CCCC1)NC(=O)c1c(N)cccc1Cl ZINC000111011695 186343534 /nfs/dbraw/zinc/34/35/34/186343534.db2.gz GOKUGRLFEXXAAG-SNVBAGLBSA-N 1 0 281.787 2.136 10 0 CEAERO O=C1CC[C@@H]([NH2+][C@@H](c2ccccc2)c2ccncc2)CN1 ZINC000111017367 186343864 /nfs/dbraw/zinc/34/38/64/186343864.db2.gz XRIGYJFGHYSLLW-WBVHZDCISA-N 1 0 281.359 2.039 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCC(=O)NC1)c1nc2ccccc2s1 ZINC000111015747 186343943 /nfs/dbraw/zinc/34/39/43/186343943.db2.gz YCWPXEBLWDCVSK-NXEZZACHSA-N 1 0 275.377 2.226 10 0 CEAERO COc1ccc([C@H]([NH2+][C@@H]2CCC(=O)NC2)C2CC2)cc1 ZINC000111017461 186344357 /nfs/dbraw/zinc/34/43/57/186344357.db2.gz FNZIJUYVJMUOKV-CZUORRHYSA-N 1 0 274.364 2.015 10 0 CEAERO CC(C)(C)[NH+]1CCN(c2ccc(F)cc2C(N)=S)CC1 ZINC000111030610 186346422 /nfs/dbraw/zinc/34/64/22/186346422.db2.gz XAKUJZFBSOWLKZ-UHFFFAOYSA-N 1 0 295.427 2.380 10 0 CEAERO COCCN(c1ccc(F)cc1C(N)=[NH2+])[C@@H](C)C1CC1 ZINC000111034359 186346456 /nfs/dbraw/zinc/34/64/56/186346456.db2.gz BQRPEICNOXEZDT-JTQLQIEISA-N 1 0 279.359 2.361 10 0 CEAERO NC(=[NH2+])c1cc(F)ccc1-n1cnc2ccccc21 ZINC000111034901 186346927 /nfs/dbraw/zinc/34/69/27/186346927.db2.gz JVTHDTSIJOOCJO-UHFFFAOYSA-N 1 0 254.268 2.449 10 0 CEAERO COC1CCN([C@H](C[NH3+])c2cccc(F)c2F)CC1 ZINC000111039233 186346970 /nfs/dbraw/zinc/34/69/70/186346970.db2.gz VYYLDRGKKIXHQL-CYBMUJFWSA-N 1 0 270.323 2.075 10 0 CEAERO C[NH2+][C@H](CN(C)C[C@@H]1CCCOC1)c1ccccc1OC ZINC000111160317 186361586 /nfs/dbraw/zinc/36/15/86/186361586.db2.gz CSRPAGZZUMQUHA-GOEBONIOSA-N 1 0 292.423 2.314 10 0 CEAERO Cc1cc(F)ccc1[C@H](C[NH3+])N(C)C[C@@H]1CCCOC1 ZINC000111157892 186362442 /nfs/dbraw/zinc/36/24/42/186362442.db2.gz CXGYTSBKEBOUDV-BBRMVZONSA-N 1 0 280.387 2.492 10 0 CEAERO CCCOCCOCCCOc1ccccc1C[NH3+] ZINC000111106439 186352868 /nfs/dbraw/zinc/35/28/68/186352868.db2.gz DRUGKSPGILAVAP-UHFFFAOYSA-N 1 0 267.369 2.357 10 0 CEAERO CCCOCCOC[C@@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000111111291 186353375 /nfs/dbraw/zinc/35/33/75/186353375.db2.gz AJKRNMHNYRYPCB-KBPBESRZSA-N 1 0 273.417 2.365 10 0 CEAERO CCCOCCOC[C@@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000111108543 186353384 /nfs/dbraw/zinc/35/33/84/186353384.db2.gz SCMHZKVKTOHQNN-CQSZACIVSA-N 1 0 295.379 2.291 10 0 CEAERO CCCOCCOC[C@@H]([NH3+])c1ccc(OC)cc1OC ZINC000111108397 186353394 /nfs/dbraw/zinc/35/33/94/186353394.db2.gz VJWAZWLLUPGYIK-CQSZACIVSA-N 1 0 283.368 2.147 10 0 CEAERO CCOCC[N@H+](CC)CCc1nc2cc(N)ccc2[nH]1 ZINC000111116315 186354004 /nfs/dbraw/zinc/35/40/04/186354004.db2.gz OGPLNHLIRJIOHA-UHFFFAOYSA-N 1 0 276.384 2.046 10 0 CEAERO CCOCCN(CC)[C@@H](C[NH3+])CCc1ccccc1 ZINC000111117652 186354291 /nfs/dbraw/zinc/35/42/91/186354291.db2.gz PFDWTTRXXWUOLD-MRXNPFEDSA-N 1 0 264.413 2.305 10 0 CEAERO CCOCCN(CC)c1nc(C)c([C@@H](C)[NH3+])s1 ZINC000111124480 186354708 /nfs/dbraw/zinc/35/47/08/186354708.db2.gz GBXOESXXDUUYJQ-SECBINFHSA-N 1 0 257.403 2.334 10 0 CEAERO CCOCCN(CC)[C@H](C[NH3+])c1ccccc1OCC ZINC000111117808 186354742 /nfs/dbraw/zinc/35/47/42/186354742.db2.gz UYDDKAJPXVAIRK-OAHLLOKOSA-N 1 0 280.412 2.444 10 0 CEAERO CCOCCN(CC)c1ncc([C@@H](C)[NH2+]C)s1 ZINC000111124541 186355153 /nfs/dbraw/zinc/35/51/53/186355153.db2.gz NFCHGQHXAZCWRV-SNVBAGLBSA-N 1 0 257.403 2.286 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2OC[C@H]1N(C)C[C@@H]1CCCOC1 ZINC000111160991 186363430 /nfs/dbraw/zinc/36/34/30/186363430.db2.gz FVKUFFILRBAWSG-YSVLISHTSA-N 1 0 290.407 2.067 10 0 CEAERO CCCNc1ccccc1C(=O)N(C)CC[NH+](C)C ZINC000111141525 186358623 /nfs/dbraw/zinc/35/86/23/186358623.db2.gz PDALRRFRBMZZIJ-UHFFFAOYSA-N 1 0 263.385 2.142 10 0 CEAERO O[C@@H](C[NH2+]CC1CCOCC1)c1ccc(F)c(F)c1 ZINC000111163345 186363468 /nfs/dbraw/zinc/36/34/68/186363468.db2.gz TZVFBUSLGMYYJN-AWEZNQCLSA-N 1 0 271.307 2.014 10 0 CEAERO CCC[C@@H]1CCC(=O)[C@H](C[N@H+](C)CCN(C)C)C1 ZINC000111146380 186358948 /nfs/dbraw/zinc/35/89/48/186358948.db2.gz SSXNXIUQULEBSG-KGLIPLIRSA-N 1 0 254.418 2.265 10 0 CEAERO CCc1ccc([C@H](O)[C@@H](C)N(C)CC[NH+](C)C)cc1 ZINC000111142665 186359530 /nfs/dbraw/zinc/35/95/30/186359530.db2.gz HBHJIXUJYNVKNJ-CZUORRHYSA-N 1 0 264.413 2.164 10 0 CEAERO CCOc1ccccc1[C@@H](N)C[N@H+](C)CC1CCOCC1 ZINC000111162085 186363653 /nfs/dbraw/zinc/36/36/53/186363653.db2.gz FZXKRAIHYSQMMQ-INIZCTEOSA-N 1 0 292.423 2.444 10 0 CEAERO C[N@@H+](Cc1ccc(C(N)=S)cc1)C[C@@H]1CCCOC1 ZINC000111163109 186364116 /nfs/dbraw/zinc/36/41/16/186364116.db2.gz OJAMSGYLCHIVIT-ZDUSSCGKSA-N 1 0 278.421 2.179 10 0 CEAERO C[NH2+]Cc1cnc(N(C)CC2CCOCC2)c(Cl)c1 ZINC000111174326 186365340 /nfs/dbraw/zinc/36/53/40/186365340.db2.gz PTWRYPRGWRKWPA-UHFFFAOYSA-N 1 0 283.803 2.317 10 0 CEAERO CC(C)([NH3+])c1noc([C@@H]2CCOc3ccccc32)n1 ZINC000111189373 186366965 /nfs/dbraw/zinc/36/69/65/186366965.db2.gz FMCDASLPKIQKKP-SNVBAGLBSA-N 1 0 259.309 2.178 10 0 CEAERO CCC(CC)[NH2+]CCSc1nnc(N(C)C)s1 ZINC000111317275 186395595 /nfs/dbraw/zinc/39/55/95/186395595.db2.gz PLDFDKOPHKCIBX-UHFFFAOYSA-N 1 0 274.459 2.474 10 0 CEAERO COc1ccc(CN(C)C[C@]2(C[NH3+])CCCOC2)cc1F ZINC000111323327 186397072 /nfs/dbraw/zinc/39/70/72/186397072.db2.gz DTIBRRYZXGSKML-MRXNPFEDSA-N 1 0 296.386 2.022 10 0 CEAERO CC[N@H+]([C@@H](CN)[C@@H]1CCCOC1)C1CCCCC1 ZINC000111320560 186397345 /nfs/dbraw/zinc/39/73/45/186397345.db2.gz KENZNBSHFKZPDP-HIFRSBDPSA-N 1 0 254.418 2.395 10 0 CEAERO [NH3+]C[C@H]([C@@H]1CCCOC1)N(Cc1cccs1)C1CC1 ZINC000111320933 186397612 /nfs/dbraw/zinc/39/76/12/186397612.db2.gz QJDRKHPHOJGFPL-IUODEOHRSA-N 1 0 280.437 2.466 10 0 CEAERO CC[NH2+]C[C@@]1(CN2Cc3ccccc3C2)CCCOC1 ZINC000111325992 186398172 /nfs/dbraw/zinc/39/81/72/186398172.db2.gz XGNLHSIBTJPFIK-QGZVFWFLSA-N 1 0 274.408 2.409 10 0 CEAERO CC[NH2+]C[C@]1(CN(C)Cc2csc(C)n2)CCCOC1 ZINC000111326398 186398777 /nfs/dbraw/zinc/39/87/77/186398777.db2.gz FOJOJXSMAWPWIZ-HNNXBMFYSA-N 1 0 297.468 2.290 10 0 CEAERO Cc1ccccc1C[N@@H+](C)C[C@@]1(CO)CCCOC1 ZINC000111331489 186399604 /nfs/dbraw/zinc/39/96/04/186399604.db2.gz HQRYBSSVBZVAEC-MRXNPFEDSA-N 1 0 263.381 2.216 10 0 CEAERO CCCC1CC[NH+](C[C@]2(CO)CCCOC2)CC1 ZINC000111331214 186399828 /nfs/dbraw/zinc/39/98/28/186399828.db2.gz HKJJRQXWKQEVFT-HNNXBMFYSA-N 1 0 255.402 2.288 10 0 CEAERO CC[N@H+](Cc1cccs1)C[C@@]1(CO)CCCOC1 ZINC000111331478 186399843 /nfs/dbraw/zinc/39/98/43/186399843.db2.gz KPMCILVUUCCMEN-CQSZACIVSA-N 1 0 269.410 2.359 10 0 CEAERO CC[C@H](c1nc(Cc2nc3ccccc3[nH]2)no1)[C@H](C)[NH3+] ZINC000111237894 186372959 /nfs/dbraw/zinc/37/29/59/186372959.db2.gz SDUOGRLNFZREHK-UWVGGRQHSA-N 1 0 285.351 2.378 10 0 CEAERO Fc1cccc2[nH]c([C@]3(C(F)(F)F)CC[NH2+]C3)nc21 ZINC000111239844 186374136 /nfs/dbraw/zinc/37/41/36/186374136.db2.gz RKUMYQTUZKNBPL-NSHDSACASA-N 1 0 273.233 2.495 10 0 CEAERO FC(F)(F)[C@@]1(c2nc(-c3ccccc3)n[nH]2)CC[NH2+]C1 ZINC000111241371 186374583 /nfs/dbraw/zinc/37/45/83/186374583.db2.gz ORJKREDAYFDWNP-LBPRGKRZSA-N 1 0 282.269 2.265 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1c1nc(Cc2cc(F)cc(F)c2)no1 ZINC000111256526 186379086 /nfs/dbraw/zinc/37/90/86/186379086.db2.gz SGMSINKEEDEKPC-PELKAZGASA-N 1 0 279.290 2.262 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1c1nc(CCc2ccccc2)no1 ZINC000111256523 186379411 /nfs/dbraw/zinc/37/94/11/186379411.db2.gz QBMYQJKTIGYAEX-WCQYABFASA-N 1 0 257.337 2.178 10 0 CEAERO CCOc1ccc(NC(=O)[C@H]2C[NH2+]C[C@H]2C)cc1OCC ZINC000111263131 186380587 /nfs/dbraw/zinc/38/05/87/186380587.db2.gz ZUYAZDZQBRXKCB-YPMHNXCESA-N 1 0 292.379 2.278 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000111262997 186380754 /nfs/dbraw/zinc/38/07/54/186380754.db2.gz WEPBQGLAXQMSLY-SKDRFNHKSA-N 1 0 286.297 2.177 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(OC(F)F)cc1 ZINC000111263879 186381150 /nfs/dbraw/zinc/38/11/50/186381150.db2.gz LAZYWBAWPMYTMB-LDYMZIIASA-N 1 0 270.279 2.082 10 0 CEAERO CC(=O)Nc1ccc(NC(=O)[C@H]2C[NH2+]C[C@H]2C)cc1Cl ZINC000111265446 186381591 /nfs/dbraw/zinc/38/15/91/186381591.db2.gz IUJPYAGWUZZRLP-KCJUWKMLSA-N 1 0 295.770 2.092 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cc(Cl)ccc1F ZINC000111263950 186382070 /nfs/dbraw/zinc/38/20/70/186382070.db2.gz UIBASSNFMWHSBO-VXNVDRBHSA-N 1 0 256.708 2.273 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(N(C)C)c(Cl)c1 ZINC000111267697 186382949 /nfs/dbraw/zinc/38/29/49/186382949.db2.gz KBRKDXIVNGHVDK-MWLCHTKSSA-N 1 0 281.787 2.200 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)N(Cc1cccs1)C1CC1 ZINC000111268648 186383770 /nfs/dbraw/zinc/38/37/70/186383770.db2.gz WPYFPKGHFNJWJF-GWCFXTLKSA-N 1 0 264.394 2.095 10 0 CEAERO C[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)c1cccc(Cl)c1 ZINC000111270143 186383933 /nfs/dbraw/zinc/38/39/33/186383933.db2.gz FAFIEZGFTFFIBL-GBIKHYSHSA-N 1 0 266.772 2.373 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000111272598 186385371 /nfs/dbraw/zinc/38/53/71/186385371.db2.gz FXQQKGPODXXZBM-JOYOIKCWSA-N 1 0 286.297 2.177 10 0 CEAERO Cc1c(F)cccc1NC(=O)c1ccc(C[NH3+])cn1 ZINC000111282067 186388620 /nfs/dbraw/zinc/38/86/20/186388620.db2.gz KCJKKAZAIAFNNY-UHFFFAOYSA-N 1 0 259.284 2.240 10 0 CEAERO CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C[NH3+])cn1 ZINC000111281788 186388810 /nfs/dbraw/zinc/38/88/10/186388810.db2.gz XTNANQFGULMGQK-STQMWFEESA-N 1 0 261.369 2.239 10 0 CEAERO C[C@H](CCc1ccccc1)NC(=O)c1ccc(C[NH3+])cn1 ZINC000111282091 186388872 /nfs/dbraw/zinc/38/88/72/186388872.db2.gz MFKYABDFOCQJJL-CYBMUJFWSA-N 1 0 283.375 2.291 10 0 CEAERO CN(c1ccc(CC[NH3+])cc1F)[C@@H]1CCSC1 ZINC000111479417 186421707 /nfs/dbraw/zinc/42/17/07/186421707.db2.gz APHDJKUDSBYWPC-LLVKDONJSA-N 1 0 254.374 2.269 10 0 CEAERO CC[C@H](C)N(CC)c1nc2ccccn2c1CC[NH3+] ZINC000111479236 186422213 /nfs/dbraw/zinc/42/22/13/186422213.db2.gz NTSSGIRIAOPISK-LBPRGKRZSA-N 1 0 260.385 2.460 10 0 CEAERO CC[C@H](C)N(CC)c1c(C[C@@H](C)[NH3+])c(C)nn1C ZINC000111491622 186424332 /nfs/dbraw/zinc/42/43/32/186424332.db2.gz HQDFOHFZKKTWDT-MNOVXSKESA-N 1 0 252.406 2.243 10 0 CEAERO Cc1nn(C)c(N(CC(C)C)C(C)C)c1C[C@@H](C)[NH3+] ZINC000111509942 186425271 /nfs/dbraw/zinc/42/52/71/186425271.db2.gz LOBZXCATGLJTCD-GFCCVEGCSA-N 1 0 266.433 2.489 10 0 CEAERO CC[C@H]([NH3+])Cc1c(C)nn(C)c1-n1nc(C)c(C)c1C ZINC000111514434 186425613 /nfs/dbraw/zinc/42/56/13/186425613.db2.gz GEWLZLBUFQHNIJ-ZDUSSCGKSA-N 1 0 275.400 2.119 10 0 CEAERO CC[NH2+]C[C@H]1CCCCN1CC(=O)Nc1ccc(C)cc1 ZINC000111701375 186446025 /nfs/dbraw/zinc/44/60/25/186446025.db2.gz JFNOSZPUDQPGGP-MRXNPFEDSA-N 1 0 289.423 2.398 10 0 CEAERO CC(C)[NH2+]C[C@H]1CCCCN1[C@@H](C)C(=O)NC(C)(C)C ZINC000111702881 186447294 /nfs/dbraw/zinc/44/72/94/186447294.db2.gz PPYCBSWRGKEULX-UONOGXRCSA-N 1 0 283.460 2.142 10 0 CEAERO CCC[NH2+][C@H](C)[C@@H]1CCCCN1Cc1ncccn1 ZINC000111712227 186448446 /nfs/dbraw/zinc/44/84/46/186448446.db2.gz SHXOMRIIPBYPQT-KGLIPLIRSA-N 1 0 262.401 2.219 10 0 CEAERO C[NH2+][C@H](C)[C@H]1CCCCN1[C@@H](C)C(=O)NC1CCCCC1 ZINC000111710946 186449473 /nfs/dbraw/zinc/44/94/73/186449473.db2.gz XWCRQXYCTDGBOM-IJEWVQPXSA-N 1 0 295.471 2.286 10 0 CEAERO c1ccc(-c2noc(CCOC3CC[NH2+]CC3)n2)cc1 ZINC000111794261 186458167 /nfs/dbraw/zinc/45/81/67/186458167.db2.gz VGJNBPIEGGFIIL-UHFFFAOYSA-N 1 0 273.336 2.048 10 0 CEAERO [NH3+]CCC[C@H]1CCCN1C(=O)c1cc(F)ccc1F ZINC000111371223 186408310 /nfs/dbraw/zinc/40/83/10/186408310.db2.gz VWCMVKVDQZPZOH-NSHDSACASA-N 1 0 268.307 2.308 10 0 CEAERO Cc1ccc(S(=O)(=O)N2CCC[C@H]2CCC[NH3+])c(C)c1 ZINC000111374194 186409191 /nfs/dbraw/zinc/40/91/91/186409191.db2.gz NXMQFFHCHVZGCY-CQSZACIVSA-N 1 0 296.436 2.195 10 0 CEAERO [NH3+][C@H]1Cc2ccccc2[C@H]1Nc1ncnc2c1CCC2 ZINC000111377318 186409338 /nfs/dbraw/zinc/40/93/38/186409338.db2.gz SXHQYSRVHIZUNB-DZGCQCFKSA-N 1 0 266.348 2.002 10 0 CEAERO CCC(CC)N(CC[NH3+])CC(=O)Nc1cccc(C)c1 ZINC000111381598 186410934 /nfs/dbraw/zinc/41/09/34/186410934.db2.gz CAJAWOMYGPRHSH-UHFFFAOYSA-N 1 0 277.412 2.383 10 0 CEAERO Cc1ccc(NC(=O)C(C)(C)[C@@H]2CCC[NH2+]C2)nc1 ZINC000120035570 186871021 /nfs/dbraw/zinc/87/10/21/186871021.db2.gz BJQWCJRXZOXNPY-GFCCVEGCSA-N 1 0 261.369 2.354 10 0 CEAERO CO[C@@H]1CN(Cc2c(F)cccc2Cl)[C@](C)(C[NH3+])C1 ZINC000630354928 351710211 /nfs/dbraw/zinc/71/02/11/351710211.db2.gz BYVOWYKIKFCRBG-HZMBPMFUSA-N 1 0 286.778 2.417 10 0 CEAERO Cc1nc(NCC2CC[NH2+]CC2)cc(-c2ccccn2)n1 ZINC000070456076 363085184 /nfs/dbraw/zinc/08/51/84/363085184.db2.gz YRVYWBGWVNPLHS-UHFFFAOYSA-N 1 0 283.379 2.259 10 0 CEAERO CO[C@@H]1CN(C(=O)c2cc(C)cc(Cl)c2)[C@@](C)(C[NH3+])C1 ZINC000630375363 351715379 /nfs/dbraw/zinc/71/53/79/351715379.db2.gz RNVUOUUJXOWXOI-DZGCQCFKSA-N 1 0 296.798 2.227 10 0 CEAERO CC[C@H]1CC[C@H](C(=O)N2C[C@H](OC)C[C@@]2(C)C[NH3+])CC1 ZINC000630371903 351715526 /nfs/dbraw/zinc/71/55/26/351715526.db2.gz CADIBTQNMRGWDY-KQTLUZQSSA-N 1 0 282.428 2.168 10 0 CEAERO C[C@H]1CN(Cc2cccnc2Cl)C[C@@H]1[NH+](C)C ZINC000124118665 187123022 /nfs/dbraw/zinc/12/30/22/187123022.db2.gz AZACXXCJQROFGV-JQWIXIFHSA-N 1 0 253.777 2.117 10 0 CEAERO CC[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccc(OC)cc1 ZINC000123351986 187086923 /nfs/dbraw/zinc/08/69/23/187086923.db2.gz VNNBSSSYLUIVIB-WMLDXEAASA-N 1 0 292.423 2.457 10 0 CEAERO CCn1cc(C2CC[NH+](C[C@@](C)(O)CC)CC2)cn1 ZINC000123480758 187094267 /nfs/dbraw/zinc/09/42/67/187094267.db2.gz LQXBMIKTRWYZND-HNNXBMFYSA-N 1 0 265.401 2.243 10 0 CEAERO Cc1ccc([C@H](C)[NH2+]C[C@H](C)N2CCOCC2)cc1 ZINC000123530899 187096318 /nfs/dbraw/zinc/09/63/18/187096318.db2.gz RAECWJDSMILBHJ-GJZGRUSLSA-N 1 0 262.397 2.366 10 0 CEAERO CC[C@H](O)C[NH+]1CCN(Cc2ccc(C)c(C)c2)CC1 ZINC000123573274 187099109 /nfs/dbraw/zinc/09/91/09/187099109.db2.gz ZKROFGLQOSYKRI-KRWDZBQOSA-N 1 0 276.424 2.192 10 0 CEAERO COc1cccc([C@H](C)NC(=O)[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000148370783 539826988 /nfs/dbraw/zinc/82/69/88/539826988.db2.gz VFAHRGRAONMKCN-WHOFXGATSA-N 1 0 276.380 2.247 10 0 CEAERO [NH3+][C@H]1CCC[C@@H](C(=O)N(Cc2ccncc2)C2CC2)C1 ZINC000070576069 363098446 /nfs/dbraw/zinc/09/84/46/363098446.db2.gz OCKCRLUFLSRWDN-KGLIPLIRSA-N 1 0 273.380 2.090 10 0 CEAERO C[C@@H]([NH3+])c1nc(-c2ccc(Br)s2)n[nH]1 ZINC000070598070 363100934 /nfs/dbraw/zinc/10/09/34/363100934.db2.gz XEFPNIXIOJUDJZ-SCSAIBSYSA-N 1 0 273.159 2.315 10 0 CEAERO COc1ccccc1N(C)C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000094648016 539883796 /nfs/dbraw/zinc/88/37/96/539883796.db2.gz AUGPUIWUJLZDPI-VXGBXAGGSA-N 1 0 262.353 2.046 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)[C@@]2(C)CCC[NH2+]2)cc1F ZINC000094956227 539888481 /nfs/dbraw/zinc/88/84/81/539888481.db2.gz IASYFUDPPMMUHO-IAQYHMDHSA-N 1 0 264.344 2.453 10 0 CEAERO 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NFXRIANOFOJDIB-QMMMGPOBSA-N 1 0 288.269 2.349 10 0 CEAERO CCN(CCc1ccccc1)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079517596 363612993 /nfs/dbraw/zinc/61/29/93/363612993.db2.gz SHMJEXPJIZOSLG-MRXNPFEDSA-N 1 0 260.381 2.220 10 0 CEAERO CCC[NH2+]CCNC(=O)[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000054263859 283389885 /nfs/dbraw/zinc/38/98/85/283389885.db2.gz UFWWQIITXJTDFW-HZPDHXFCSA-N 1 0 290.407 2.270 10 0 CEAERO C[C@H]([NH2+]CC1(O)CCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400331535 299284001 /nfs/dbraw/zinc/28/40/01/299284001.db2.gz BZWLZGISZOXMLE-QWHCGFSZSA-N 1 0 298.427 2.137 10 0 CEAERO C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCCCC[C@@H]2O)cc1 ZINC000135957489 366484911 /nfs/dbraw/zinc/48/49/11/366484911.db2.gz BDNBHPUAXLTFBL-CVEARBPZSA-N 1 0 290.407 2.172 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)NC[C@H](C)COCc1ccccc1 ZINC000236957967 370665165 /nfs/dbraw/zinc/66/51/65/370665165.db2.gz CBVAJYZQEKWMHC-DZGCQCFKSA-N 1 0 278.396 2.083 10 0 CEAERO CC1(C)CCC(NC(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000079677880 363620667 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ZINC000245418407 370817436 /nfs/dbraw/zinc/81/74/36/370817436.db2.gz GNAIWFFPFCDOSW-FVQBIDKESA-N 1 0 287.407 2.270 10 0 CEAERO Cc1cccc(OCC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000583487550 367056355 /nfs/dbraw/zinc/05/63/55/367056355.db2.gz FJVJHBVDYKXREQ-LSDHHAIUSA-N 1 0 262.397 2.352 10 0 CEAERO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1nccn1C)c1cncc(F)c1 ZINC000583616537 367073713 /nfs/dbraw/zinc/07/37/13/367073713.db2.gz INIPVRBPWWJLSC-BPNCWPANSA-N 1 0 290.342 2.135 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1noc(C(C)C)n1 ZINC000245426288 370818090 /nfs/dbraw/zinc/81/80/90/370818090.db2.gz LEWWOFNGTBGYKA-OLZOCXBDSA-N 1 0 278.400 2.252 10 0 CEAERO CCC[C@H](C(=O)N[C@@H](C)c1ccc(C)o1)[NH+](C)C ZINC000161570081 367097921 /nfs/dbraw/zinc/09/79/21/367097921.db2.gz GWXWGLMMPTXRAQ-NWDGAFQWSA-N 1 0 252.358 2.496 10 0 CEAERO C[C@H]1CN(C(=O)c2cccc(Cl)c2)C[C@H]1C[NH3+] ZINC000638884279 370818386 /nfs/dbraw/zinc/81/83/86/370818386.db2.gz GVGXHNYPPGSYKS-GXSJLCMTSA-N 1 0 252.745 2.007 10 0 CEAERO 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C[C@H](CN1CCN(C)CC1)[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000262317732 371851189 /nfs/dbraw/zinc/85/11/89/371851189.db2.gz DTMNUNLPDWFBFX-IIAWOOMASA-N 1 0 291.439 2.129 10 0 CEAERO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1nnc(C)s1 ZINC000362273628 372293672 /nfs/dbraw/zinc/29/36/72/372293672.db2.gz BPFXJHRTFGVCGN-QWHCGFSZSA-N 1 0 280.441 2.295 10 0 CEAERO CO[C@H]1C[C@@H](CO)[N@H+](CCCCc2ccccc2)C1 ZINC000344701119 217279923 /nfs/dbraw/zinc/27/99/23/217279923.db2.gz DDQJDRSBWWQHGL-HOTGVXAUSA-N 1 0 263.381 2.091 10 0 CEAERO CO[C@H]1C[C@H](CO)[N@H+](Cc2c(C)cc(C)cc2C)C1 ZINC000344756221 217301043 /nfs/dbraw/zinc/30/10/43/217301043.db2.gz XCRNYCDOVMSABM-CABCVRRESA-N 1 0 263.381 2.193 10 0 CEAERO Cc1noc(C)c1[C@H](C)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000643454025 373125406 /nfs/dbraw/zinc/12/54/06/373125406.db2.gz BBKPMNRGVDEUBE-KWBADKCTSA-N 1 0 251.374 2.330 10 0 CEAERO COC[C@]1(C(=O)N(C)Cc2ccccc2Cl)CCC[NH2+]1 ZINC000643618396 373222568 /nfs/dbraw/zinc/22/25/68/373222568.db2.gz NJFNQTNGNUPVLA-HNNXBMFYSA-N 1 0 296.798 2.067 10 0 CEAERO CCC(CC)CN(CC)C(=O)[C@]1(COC)CCC[NH2+]1 ZINC000643641469 373228957 /nfs/dbraw/zinc/22/89/57/373228957.db2.gz ZWLMKUVCVYYBCW-OAHLLOKOSA-N 1 0 270.417 2.040 10 0 CEAERO CC[C@H](C)C[C@@H](C)NC(=O)C1(CCOC)CC[NH2+]CC1 ZINC000643700807 373238938 /nfs/dbraw/zinc/23/89/38/373238938.db2.gz KNYUEWXTUYTIAS-UONOGXRCSA-N 1 0 284.444 2.334 10 0 CEAERO COC[C@@]1(c2nc(-c3ccsc3)no2)CCC[NH2+]1 ZINC000643935840 373305944 /nfs/dbraw/zinc/30/59/44/373305944.db2.gz LCIBGTJIFGZJKU-GFCCVEGCSA-N 1 0 265.338 2.023 10 0 CEAERO CC(C)(C)[C@@H](O)C[NH2+]CC(C)(C)c1ccncc1 ZINC000644612435 373559557 /nfs/dbraw/zinc/55/95/57/373559557.db2.gz DZTLDOKIMDRULC-ZDUSSCGKSA-N 1 0 250.386 2.356 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1ccc2c(c1)CCC2 ZINC000247186110 220220532 /nfs/dbraw/zinc/22/05/32/220220532.db2.gz LDPFRPLUMMVWTG-KSSFIOAISA-N 1 0 298.430 2.413 10 0 CEAERO Cn1c(Cl)cnc1CN[C@@H](C[NH+](C)C)c1ccccc1 ZINC000272917282 373711007 /nfs/dbraw/zinc/71/10/07/373711007.db2.gz RFRKUIHQBYLBSG-ZDUSSCGKSA-N 1 0 292.814 2.466 10 0 CEAERO CC(C)C[C@H](C)OCCC(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000246548021 189930094 /nfs/dbraw/zinc/93/00/94/189930094.db2.gz SWWCIJJKTQRUSH-IHRRRGAJSA-N 1 0 270.417 2.071 10 0 CEAERO CC[C@](C)(O)C[NH+]1CCC(c2nccs2)CC1 ZINC000372504865 374145650 /nfs/dbraw/zinc/14/56/50/374145650.db2.gz OTFMRRBAKSEWCP-ZDUSSCGKSA-N 1 0 254.399 2.484 10 0 CEAERO C[C@H]1CN(Cc2cncc(Br)c2)C[C@H]1[NH+](C)C ZINC000252731816 189983379 /nfs/dbraw/zinc/98/33/79/189983379.db2.gz RRCLVGCPYQXULN-GXFFZTMASA-N 1 0 298.228 2.226 10 0 CEAERO CC[N@@H+]1CC[C@H](N[C@@H](C)c2nc3ccccc3n2C)C1 ZINC000389268526 375301337 /nfs/dbraw/zinc/30/13/37/375301337.db2.gz QLDXUOGIUWJGAD-STQMWFEESA-N 1 0 272.396 2.318 10 0 CEAERO COc1ccccc1NC(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000399531753 375365737 /nfs/dbraw/zinc/36/57/37/375365737.db2.gz VGMMKTCWCFVTHC-ZWNOBZJWSA-N 1 0 250.342 2.253 10 0 CEAERO CCn1nccc1C[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC000282629166 375534755 /nfs/dbraw/zinc/53/47/55/375534755.db2.gz GCUFJSQUHOSYOK-LBPRGKRZSA-N 1 0 296.415 2.248 10 0 CEAERO CCC[C@H]([NH3+])C(=O)NCC1(Cc2ccc(F)cc2)CC1 ZINC000262577311 190057858 /nfs/dbraw/zinc/05/78/58/190057858.db2.gz OXCWMTIABQXDLR-AWEZNQCLSA-N 1 0 278.371 2.392 10 0 CEAERO C[C@@H]1C[NH2+][C@@]2(CCN(C(=O)OC(C)(C)C)C2)SC1 ZINC000306628018 376551309 /nfs/dbraw/zinc/55/13/09/376551309.db2.gz ZZCXFJLEHWYDGO-MFKMUULPSA-N 1 0 272.414 2.296 10 0 CEAERO COC(=O)c1cccnc1C[N@H+](C)CC1CCCC1 ZINC000305998480 376536362 /nfs/dbraw/zinc/53/63/62/376536362.db2.gz USJGPKTUTUSOPX-UHFFFAOYSA-N 1 0 262.353 2.490 10 0 CEAERO CC1(C)C[NH2+][C@@H]1c1ncc(I)s1 ZINC000306183724 376543255 /nfs/dbraw/zinc/54/32/55/376543255.db2.gz BSYJOMSBIGWOGB-ZCFIWIBFSA-N 1 0 294.161 2.418 10 0 CEAERO C[C@@H]1[C@H](Nc2ncc[nH]c2=O)CC[N@@H+]1Cc1ccccc1 ZINC000307738567 376571357 /nfs/dbraw/zinc/57/13/57/376571357.db2.gz WZCXKRPPBMVBRQ-TZMCWYRMSA-N 1 0 284.363 2.257 10 0 CEAERO CCc1cc(CC)nc(N(C)CC[C@H]([NH3+])C(C)C)n1 ZINC000311388679 376667227 /nfs/dbraw/zinc/66/72/27/376667227.db2.gz AHBVYZCGBXKQFJ-AWEZNQCLSA-N 1 0 264.417 2.411 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(c3nccc4ccccc43)C[C@@H]12 ZINC000311992061 376697999 /nfs/dbraw/zinc/69/79/99/376697999.db2.gz SJFBYECETZLAKX-BPLDGKMQSA-N 1 0 253.349 2.408 10 0 CEAERO CCCC[C@H](C[NH3+])Nc1ccc(S(C)(=O)=O)cc1F ZINC000312015728 376698211 /nfs/dbraw/zinc/69/82/11/376698211.db2.gz SYMMQRVCIXLJAV-SNVBAGLBSA-N 1 0 288.388 2.159 10 0 CEAERO Cc1cc(N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)ncn1 ZINC000328630595 376868017 /nfs/dbraw/zinc/86/80/17/376868017.db2.gz JOYYUHZIVNTZPS-INIZCTEOSA-N 1 0 297.406 2.138 10 0 CEAERO C[C@](O)(CN1CC[NH+](C2CCC2)CC1)c1ccccc1 ZINC000264991872 190150097 /nfs/dbraw/zinc/15/00/97/190150097.db2.gz NIABNVISCIRAEP-KRWDZBQOSA-N 1 0 274.408 2.064 10 0 CEAERO CCn1c(C)nnc1CN1CC[NH+](C2CCCCC2)CC1 ZINC000178746711 249330388 /nfs/dbraw/zinc/33/03/88/249330388.db2.gz GRJJLTSOIYGSNL-UHFFFAOYSA-N 1 0 291.443 2.057 10 0 CEAERO COC[C@@H]([NH2+]C[C@H](O)COC(C)(C)C)c1ccc(C)o1 ZINC000184633762 249333024 /nfs/dbraw/zinc/33/30/24/249333024.db2.gz MFYQUCTZVYPKFQ-QWHCGFSZSA-N 1 0 285.384 2.041 10 0 CEAERO COc1cc(F)cc(C[NH2+]C[C@H]2CCC[C@H]2O)c1 ZINC000312567970 249372795 /nfs/dbraw/zinc/37/27/95/249372795.db2.gz YBECDNLLLDDOTN-BXUZGUMPSA-N 1 0 253.317 2.085 10 0 CEAERO C[C@@H]([NH2+]Cc1cccn1C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000293770332 377748326 /nfs/dbraw/zinc/74/83/26/377748326.db2.gz ZTRZSZLXKIQXMG-GFCCVEGCSA-N 1 0 293.411 2.370 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]CCC2CC(O)C2)c1C ZINC000432413221 377759503 /nfs/dbraw/zinc/75/95/03/377759503.db2.gz LKDSNYXUZNTRQV-GWMXKSKGSA-N 1 0 265.401 2.331 10 0 CEAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCCOCc1ccccc1 ZINC000296326736 378493073 /nfs/dbraw/zinc/49/30/73/378493073.db2.gz QNMHRMBUBJRWRU-ZBFHGGJFSA-N 1 0 263.381 2.439 10 0 CEAERO Cc1c(Cl)cccc1NC(=O)CN1CCC[C@H](O)[C@@H]1C ZINC000296357088 378501581 /nfs/dbraw/zinc/50/15/81/378501581.db2.gz RXIFYCPNYPRXMN-FZMZJTMJSA-N 1 0 296.798 2.432 10 0 CEAERO Cc1ccc(C)c(OCCCN2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000300082341 379152332 /nfs/dbraw/zinc/15/23/32/379152332.db2.gz DGVNKIUPQWPMFZ-LSDHHAIUSA-N 1 0 262.397 2.351 10 0 CEAERO CCCCc1nn2c(c1Br)NCC[C@@H]2C[NH3+] ZINC000233027214 542267592 /nfs/dbraw/zinc/26/75/92/542267592.db2.gz HZGPEWULBPIUPK-MRVPVSSYSA-N 1 0 287.205 2.304 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCSC2)C12CCOCC2 ZINC000186415326 183638956 /nfs/dbraw/zinc/63/89/56/183638956.db2.gz DBPLPDQDJWQGDH-FRRDWIJNSA-N 1 0 271.426 2.056 10 0 CEAERO COC(=O)c1cccnc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000302357261 379362231 /nfs/dbraw/zinc/36/22/31/379362231.db2.gz NLHSLURBPMLPDL-TXEJJXNPSA-N 1 0 262.353 2.346 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)/C=C\c1ccc[nH]1 ZINC000492007315 380417647 /nfs/dbraw/zinc/41/76/47/380417647.db2.gz HNGCVRSZDCAMEP-XAQJJABOSA-N 1 0 273.380 2.113 10 0 CEAERO C[C@H]([NH2+][C@H]1CCC[C@H](O)C1)c1ccc2c(c1)OCCO2 ZINC000037165735 542278122 /nfs/dbraw/zinc/27/81/22/542278122.db2.gz JCNOYHOTYCFXIZ-UBHSHLNASA-N 1 0 277.364 2.412 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)/C=C\c2ncccc2C)C1 ZINC000493356724 380942947 /nfs/dbraw/zinc/94/29/47/380942947.db2.gz RLCABZVXAFBYCP-QIAWRQBBSA-N 1 0 273.380 2.004 10 0 CEAERO CNC(=O)[C@H]([NH2+]CCCOc1ccccc1C)C(C)C ZINC000183635050 542293649 /nfs/dbraw/zinc/29/36/49/542293649.db2.gz BQBCOBRALNGVPL-OAHLLOKOSA-N 1 0 278.396 2.124 10 0 CEAERO C[NH2+][C@H](C)c1ccc(SC[C@H]2CNC(=O)O2)cc1 ZINC000079578503 184594217 /nfs/dbraw/zinc/59/42/17/184594217.db2.gz MDKFAJRPWYFYKG-MWLCHTKSSA-N 1 0 266.366 2.168 10 0 CEAERO COc1cc([C@@H](C)[NH2+][C@H](C)C(OC)OC)ccc1O ZINC000079607531 184595483 /nfs/dbraw/zinc/59/54/83/184595483.db2.gz CONGKIVKAKSBPI-NXEZZACHSA-N 1 0 269.341 2.059 10 0 CEAERO CCC[C@H]([NH3+])CSc1nnc2n1CCCCC2 ZINC000081865759 184598138 /nfs/dbraw/zinc/59/81/38/184598138.db2.gz LSAHKAXUKSPGEU-JTQLQIEISA-N 1 0 254.403 2.224 10 0 CEAERO CCN(C[C@@](CO)([NH2+]C)C1CC1)c1ccccc1C ZINC000085216126 184605219 /nfs/dbraw/zinc/60/52/19/184605219.db2.gz NAKUWDRUPMHTBQ-INIZCTEOSA-N 1 0 262.397 2.182 10 0 CEAERO CCN(CCC[C@](C)([NH3+])CO)c1cccc(C)c1 ZINC000085241300 184609090 /nfs/dbraw/zinc/60/90/90/184609090.db2.gz ABJHUXOXLAMXLO-HNNXBMFYSA-N 1 0 250.386 2.311 10 0 CEAERO CCC(CC)(C[NH3+])OCC(=O)Nc1cccc(OC)c1 ZINC000086710377 184609768 /nfs/dbraw/zinc/60/97/68/184609768.db2.gz QQUIXERJQLENCH-UHFFFAOYSA-N 1 0 280.368 2.168 10 0 CEAERO CC1CCN(C(=O)OC[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000092744963 184624868 /nfs/dbraw/zinc/62/48/68/184624868.db2.gz OAGBSIDIVAPPAL-STQMWFEESA-N 1 0 254.374 2.230 10 0 CEAERO CCCCOCCO[C@H]1Cc2ccc(OC)cc2[C@@H]1[NH3+] ZINC000092840240 184631374 /nfs/dbraw/zinc/63/13/74/184631374.db2.gz HUORHLXNLHNEOA-HOTGVXAUSA-N 1 0 279.380 2.453 10 0 CEAERO COCC[NH2+]C[C@@H]1CCO[C@@H]1CCc1ccccc1 ZINC000092882400 184633411 /nfs/dbraw/zinc/63/34/11/184633411.db2.gz ABLNDZUPQMLHII-JKSUJKDBSA-N 1 0 263.381 2.260 10 0 CEAERO COC(=O)[C@@H](C)[C@@H](C)[NH2+]CCOc1cccc(C)c1 ZINC000093028496 184643715 /nfs/dbraw/zinc/64/37/15/184643715.db2.gz WUMUAIHPGXDIMB-QWHCGFSZSA-N 1 0 265.353 2.161 10 0 CEAERO CC[C@H](NC(=O)[C@@H]1CC[NH2+][C@@H]1C)c1cccs1 ZINC000092956209 184637532 /nfs/dbraw/zinc/63/75/32/184637532.db2.gz RADUSYSAXXNGHQ-MXWKQRLJSA-N 1 0 252.383 2.313 10 0 CEAERO C[NH2+]C[C@@H](c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000093166105 184653118 /nfs/dbraw/zinc/65/31/18/184653118.db2.gz UZQSRLVKZOXSHM-AAEUAGOBSA-N 1 0 287.812 2.078 10 0 CEAERO C[C@@H](Cc1cccs1)N(C)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000093272352 184660035 /nfs/dbraw/zinc/66/00/35/184660035.db2.gz BHXHIZCTDBRKSF-NWDGAFQWSA-N 1 0 266.410 2.137 10 0 CEAERO CC[NH2+][C@H](CC1CCOCC1)C(OCC)OCC ZINC000093307142 184662043 /nfs/dbraw/zinc/66/20/43/184662043.db2.gz QDVYAICBUROYNS-CYBMUJFWSA-N 1 0 259.390 2.180 10 0 CEAERO CCOC(OCC)[C@H](CCC[C@H]1CCCO1)[NH2+]C ZINC000093307006 184662427 /nfs/dbraw/zinc/66/24/27/184662427.db2.gz WIWGTPOZNBLXJT-STQMWFEESA-N 1 0 259.390 2.323 10 0 CEAERO COc1ccc([C@H](C)N[C@@H](C)[C@H]2CCC[NH2+]2)cc1OC ZINC000400456558 533172823 /nfs/dbraw/zinc/17/28/23/533172823.db2.gz SQMWCILNMTYXKD-SGMGOOAPSA-N 1 0 278.396 2.495 10 0 CEAERO OCC[NH2+]C1c2ccccc2CCc2ccccc21 ZINC000139069224 285260599 /nfs/dbraw/zinc/26/05/99/285260599.db2.gz CGEBHOMNRKKPNF-UHFFFAOYSA-N 1 0 253.345 2.457 10 0 CEAERO COC(=O)[C@H](CC(C)C)N[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093515109 184686436 /nfs/dbraw/zinc/68/64/36/184686436.db2.gz SACZPALFOQGFSI-ILXRZTDVSA-N 1 0 284.444 2.475 10 0 CEAERO COc1ccc(C[C@]2(C)CNC(=[NH2+])N2C(C)C)cc1OC ZINC000093374239 184668214 /nfs/dbraw/zinc/66/82/14/184668214.db2.gz UXYUOSJTLJQMHX-MRXNPFEDSA-N 1 0 291.395 2.044 10 0 CEAERO [NH2+]=C1NC[C@]2(CCSC2)N1c1cccc(F)c1 ZINC000093388942 184669749 /nfs/dbraw/zinc/66/97/49/184669749.db2.gz VLQPKZRGYPNYFF-LBPRGKRZSA-N 1 0 251.330 2.046 10 0 CEAERO NC(=O)c1ccccc1Oc1cccc(F)c1C[NH3+] ZINC000093395638 184671397 /nfs/dbraw/zinc/67/13/97/184671397.db2.gz GMARNPAYHYTDEH-UHFFFAOYSA-N 1 0 260.268 2.176 10 0 CEAERO CN(Cc1cccnc1)c1cccc(F)c1C(N)=[NH2+] ZINC000093408745 184671557 /nfs/dbraw/zinc/67/15/57/184671557.db2.gz PPYAVQDIAUXHMV-UHFFFAOYSA-N 1 0 258.300 2.141 10 0 CEAERO CNC(=O)c1ccc(N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000093451829 184677691 /nfs/dbraw/zinc/67/76/91/184677691.db2.gz XWDXJHKGAXSVGP-OWCLPIDISA-N 1 0 287.407 2.379 10 0 CEAERO CC(C)CS(=O)(=O)[C@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+] ZINC000081928493 177899999 /nfs/dbraw/zinc/89/99/99/177899999.db2.gz QHHGRHIQNCUVHO-AGIUHOORSA-N 1 0 261.431 2.209 10 0 CEAERO C[C@H](CS(C)(=O)=O)[NH2+][C@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000081902279 177886646 /nfs/dbraw/zinc/88/66/46/177886646.db2.gz CUBBTCHYMNZRTK-RQJABVFESA-N 1 0 273.442 2.368 10 0 CEAERO C[NH2+][C@@H]1CCOC[C@H]1Sc1ccc(F)c(F)c1 ZINC000081780662 177859265 /nfs/dbraw/zinc/85/92/65/177859265.db2.gz IBQLDMULXQZEOT-VXGBXAGGSA-N 1 0 259.321 2.434 10 0 CEAERO C[NH2+][C@H]1CCCC[C@H]1Sc1nnnn1-c1ccccc1 ZINC000081869134 177868974 /nfs/dbraw/zinc/86/89/74/177868974.db2.gz RIAWVUGUEJIFDA-QWHCGFSZSA-N 1 0 289.408 2.285 10 0 CEAERO Cc1ccc([C@H]([NH3+])[C@H](C)Sc2nnnn2C2CC2)cc1 ZINC000081867742 177867681 /nfs/dbraw/zinc/86/76/81/177867681.db2.gz MGVYKMISDNOGEL-GXFFZTMASA-N 1 0 289.408 2.497 10 0 CEAERO CC1(C)CC[C@H]([NH3+])[C@@H](Sc2nnnn2C2CC2)C1 ZINC000081867494 177866959 /nfs/dbraw/zinc/86/69/59/177866959.db2.gz CTKJNRQNMZKYBJ-UWVGGRQHSA-N 1 0 267.402 2.006 10 0 CEAERO COCC[C@H](C)[NH2+]C[C@H](O)COc1cccc(Cl)c1 ZINC000081714789 177843807 /nfs/dbraw/zinc/84/38/07/177843807.db2.gz VUNALRQSRGVCSH-AAEUAGOBSA-N 1 0 287.787 2.094 10 0 CEAERO COCCO[C@@H]1CC[N@H+](CC2CC2)[C@H]1Cc1cccnc1 ZINC000096069835 256743644 /nfs/dbraw/zinc/74/36/44/256743644.db2.gz VNZPZKKRWVRABS-DLBZAZTESA-N 1 0 290.407 2.140 10 0 CEAERO C[C@@H](OCC1([NH3+])CCCC1)C(=O)Nc1ccccc1 ZINC000080837676 177714343 /nfs/dbraw/zinc/71/43/43/177714343.db2.gz TUAXIAWISHIVIF-GFCCVEGCSA-N 1 0 262.353 2.302 10 0 CEAERO CC[NH2+][C@H]1CCCC[C@H](CCCS(C)(=O)=O)C1 ZINC000080413840 177650648 /nfs/dbraw/zinc/65/06/48/177650648.db2.gz GPEAEBJPLXUVEB-OLZOCXBDSA-N 1 0 261.431 2.370 10 0 CEAERO COC(=O)[C@]1([NH3+])CC[C@H](Oc2cccc(C)c2C)C1 ZINC000093836958 184730211 /nfs/dbraw/zinc/73/02/11/184730211.db2.gz DURWZXVDYFKNMZ-WFASDCNBSA-N 1 0 263.337 2.105 10 0 CEAERO CC[C@@H]([NH2+]CC(C)(C)S(C)(=O)=O)c1ccc(O)cc1 ZINC000093520680 184687787 /nfs/dbraw/zinc/68/77/87/184687787.db2.gz PKVOLHYUMYRAQM-CYBMUJFWSA-N 1 0 285.409 2.256 10 0 CEAERO C[NH2+][C@@H]1CCC[C@@H]1CCS(=O)(=O)c1ccc(OC)cc1 ZINC000093622991 184697704 /nfs/dbraw/zinc/69/77/04/184697704.db2.gz ZLMPQZJVMPRDQC-IUODEOHRSA-N 1 0 297.420 2.247 10 0 CEAERO CCCC[NH+](CCCC)[C@@H]1CCC[C@](N)(C(N)=O)C1 ZINC000093749363 184713236 /nfs/dbraw/zinc/71/32/36/184713236.db2.gz SWLBKNULNDBQMQ-UKRRQHHQSA-N 1 0 269.433 2.014 10 0 CEAERO CC[NH2+][C@@]1(CO)CCC[C@H](N(CC)CC(F)(F)F)C1 ZINC000093782824 184720848 /nfs/dbraw/zinc/72/08/48/184720848.db2.gz YBZKSJRGPCDTCX-RYUDHWBXSA-N 1 0 282.350 2.154 10 0 CEAERO CCCCOCCO[C@H]1CCC[C@@](CO)([NH2+]C(C)C)C1 ZINC000093784870 184721949 /nfs/dbraw/zinc/72/19/49/184721949.db2.gz ULBOBRVXIPOPHP-JKSUJKDBSA-N 1 0 287.444 2.491 10 0 CEAERO C[NH2+][C@]1(CO)CCC[C@H](Sc2ccccn2)C1 ZINC000093786649 184722052 /nfs/dbraw/zinc/72/20/52/184722052.db2.gz KVJFKJWGLMFTGM-WCQYABFASA-N 1 0 252.383 2.067 10 0 CEAERO CCOc1ccc(O[C@H]2CCC[C@@](CO)([NH2+]C)C2)cc1 ZINC000093785234 184722121 /nfs/dbraw/zinc/72/21/21/184722121.db2.gz YJMRVDRIGHDPJU-JKSUJKDBSA-N 1 0 279.380 2.357 10 0 CEAERO Cc1ccc(C)c([C@H]([NH3+])[C@H]2CN(C(C)C)CCO2)c1 ZINC000093926058 184744663 /nfs/dbraw/zinc/74/46/63/184744663.db2.gz JAMXNKQEHNJYMZ-CVEARBPZSA-N 1 0 262.397 2.412 10 0 CEAERO CC1(C)C([NH3+])C(C)(C)C1NC(=O)[C@@H]1CC=CCC1 ZINC000094006200 184749639 /nfs/dbraw/zinc/74/96/39/184749639.db2.gz QWAKXWHOQZMPJK-QFWMXSHPSA-N 1 0 250.386 2.221 10 0 CEAERO CC1(C)C([NH3+])C(C)(C)C1NC(=O)c1cccc(F)c1F ZINC000094006232 184749748 /nfs/dbraw/zinc/74/97/48/184749748.db2.gz RHRNJYSSVCBYAM-UHFFFAOYSA-N 1 0 282.334 2.457 10 0 CEAERO CC[C@]1(c2nc(-c3ccc(F)cn3)no2)CCC[NH2+]C1 ZINC000094043806 184751738 /nfs/dbraw/zinc/75/17/38/184751738.db2.gz FDDUQNBFKAZLKT-AWEZNQCLSA-N 1 0 276.315 2.302 10 0 CEAERO COc1ccc(C(=O)Nc2ccc(C[NH3+])cc2)cc1O ZINC000094065831 184753442 /nfs/dbraw/zinc/75/34/42/184753442.db2.gz TYAOQRZUFSLIQR-UHFFFAOYSA-N 1 0 272.304 2.112 10 0 CEAERO C[NH2+][C@H](CSC1CCCC1)Cc1nccn1C ZINC000094161063 184757934 /nfs/dbraw/zinc/75/79/34/184757934.db2.gz PZOCYAMASCNZCY-NSHDSACASA-N 1 0 253.415 2.226 10 0 CEAERO CCn1c(C[C@@H]([NH3+])CCCOC)nc2ccccc21 ZINC000094171380 184759202 /nfs/dbraw/zinc/75/92/02/184759202.db2.gz HKHKGXWHPUVFDX-LBPRGKRZSA-N 1 0 261.369 2.353 10 0 CEAERO CC(C)C[NH2+]C[C@](C)(O)Cc1nc2ccccc2n1C ZINC000094173318 184759267 /nfs/dbraw/zinc/75/92/67/184759267.db2.gz UIZVHIATMDQVNA-MRXNPFEDSA-N 1 0 275.396 2.112 10 0 CEAERO Cn1c(C[C@H]([NH3+])Cc2cccnc2)nc2ccccc21 ZINC000094171096 184759303 /nfs/dbraw/zinc/75/93/03/184759303.db2.gz LGMKXNYPYGAHCA-CYBMUJFWSA-N 1 0 266.348 2.081 10 0 CEAERO CCC[NH2+]CC[C@](C)(O)Cc1nc2ccccc2n1C ZINC000094173270 184759327 /nfs/dbraw/zinc/75/93/27/184759327.db2.gz XBKNDSRGPIONSL-INIZCTEOSA-N 1 0 275.396 2.257 10 0 CEAERO CCC[NH2+][C@H](c1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1CCO[C@@H]1C ZINC000094176643 184759528 /nfs/dbraw/zinc/75/95/28/184759528.db2.gz FHQVDLPSUPZKGY-IXPVHAAZSA-N 1 0 289.379 2.322 10 0 CEAERO Cc1ccccc1CCNC(=O)[C@H]1[NH2+]CCC[C@H]1C ZINC000094184798 184760119 /nfs/dbraw/zinc/76/01/19/184760119.db2.gz QVWWYWCLLZTEOH-HIFRSBDPSA-N 1 0 260.381 2.042 10 0 CEAERO CCNc1ncc(CN2CCC[C@H]([NH+](C)C)C2)s1 ZINC000094193345 184761186 /nfs/dbraw/zinc/76/11/86/184761186.db2.gz VRDNUMLDGMRJLW-NSHDSACASA-N 1 0 268.430 2.101 10 0 CEAERO CCCCCNC(=O)[C@H](C)Oc1ccc(C[C@@H](C)[NH3+])nc1 ZINC000094215765 184763564 /nfs/dbraw/zinc/76/35/64/184763564.db2.gz VHEWAIFKDYTOMK-OLZOCXBDSA-N 1 0 293.411 2.045 10 0 CEAERO CC[C@@](C)([NH3+])C(=O)N[C@H](C)c1sc(C)nc1C ZINC000094236376 184767616 /nfs/dbraw/zinc/76/76/16/184767616.db2.gz BKZOOCMBXYLAMA-PRHODGIISA-N 1 0 255.387 2.065 10 0 CEAERO CC[C@@](C)([NH3+])C(=O)N[C@@H](C)c1sc(C)nc1C ZINC000094236374 184767683 /nfs/dbraw/zinc/76/76/83/184767683.db2.gz BKZOOCMBXYLAMA-QPUJVOFHSA-N 1 0 255.387 2.065 10 0 CEAERO Nc1ccc(N[C@H]2CCOc3ccccc32)[nH+]c1N ZINC000094260378 184770786 /nfs/dbraw/zinc/77/07/86/184770786.db2.gz PLGCRQYTTFPFDB-NSHDSACASA-N 1 0 256.309 2.182 10 0 CEAERO CCC[C@]1(c2nc3nc(NC)ccc3[nH]2)CCC[NH2+]C1 ZINC000094264232 184771649 /nfs/dbraw/zinc/77/16/49/184771649.db2.gz DXCAFRRPLXMJCU-HNNXBMFYSA-N 1 0 273.384 2.421 10 0 CEAERO CC[NH2+]CCCNc1ccc(C(=O)OC)c(F)c1F ZINC000094271948 184773715 /nfs/dbraw/zinc/77/37/15/184773715.db2.gz IEPOAIZIUAWFGZ-UHFFFAOYSA-N 1 0 272.295 2.163 10 0 CEAERO COC(=O)C[C@](C)([NH3+])c1ccccc1C(F)(F)F ZINC000094290050 184776702 /nfs/dbraw/zinc/77/67/02/184776702.db2.gz VZMJFLNZGKWCBU-NSHDSACASA-N 1 0 261.243 2.442 10 0 CEAERO CC[NH2+][C@@H]1[C@H](N(C)Cc2cnn(C)c2)CCC1(C)C ZINC000094304720 184777665 /nfs/dbraw/zinc/77/76/65/184777665.db2.gz LDYJFKDJSIOFND-ZIAGYGMSSA-N 1 0 264.417 2.019 10 0 CEAERO CC1(C)CCC[C@H]1NS(=O)(=O)Cc1cccc(C[NH3+])c1 ZINC000094326142 184781202 /nfs/dbraw/zinc/78/12/02/184781202.db2.gz JIULFLQJMIKQHR-CQSZACIVSA-N 1 0 296.436 2.143 10 0 CEAERO C[C@@H]1C[C@@H]1CN(C)c1nc(C(F)(F)F)ccc1C(N)=[NH2+] ZINC000094336758 184783095 /nfs/dbraw/zinc/78/30/95/184783095.db2.gz CMYOGCLPAXYQTQ-HTQZYQBOSA-N 1 0 286.301 2.477 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc(F)c(OCCC(=O)OC)c(F)c1 ZINC000094350665 184786906 /nfs/dbraw/zinc/78/69/06/184786906.db2.gz INDLLZSTEQFFIJ-SNVBAGLBSA-N 1 0 287.306 2.187 10 0 CEAERO [NH3+]CC1(O[C@H]2CCO[C@@]3(CCOC3)C2)CCCCC1 ZINC000094361905 184789017 /nfs/dbraw/zinc/78/90/17/184789017.db2.gz VOYPFIHIGJWKSH-ZFWWWQNUSA-N 1 0 269.385 2.003 10 0 CEAERO CCOC[C@@H]([NH3+])[C@H]1CCOC2(CCSCC2)C1 ZINC000094406210 184794041 /nfs/dbraw/zinc/79/40/41/184794041.db2.gz NYOZQUNDJHOLJP-NWDGAFQWSA-N 1 0 259.415 2.043 10 0 CEAERO C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCOC2(CCOCC2)C1 ZINC000094412004 184794444 /nfs/dbraw/zinc/79/44/44/184794444.db2.gz JNJCJSCZJAKHQT-MGPQQGTHSA-N 1 0 253.386 2.350 10 0 CEAERO CC[NH2+]Cc1cn([C@@H]2CCOC3(CCCCC3)C2)nn1 ZINC000094419044 184794914 /nfs/dbraw/zinc/79/49/14/184794914.db2.gz AGFYVEONLNVFFC-CQSZACIVSA-N 1 0 278.400 2.442 10 0 CEAERO C(C[NH2+]C1CC1)C[C@H]1CCOC2(CCOCC2)C1 ZINC000094415327 184794990 /nfs/dbraw/zinc/79/49/90/184794990.db2.gz FUYQNVUGFOCFIG-ZDUSSCGKSA-N 1 0 253.386 2.494 10 0 CEAERO CCC[NH2+]C[C@](C)(O)[C@H]1CCOC2(CCSCC2)C1 ZINC000094418848 184795155 /nfs/dbraw/zinc/79/51/55/184795155.db2.gz CEHNZOGXNBZQGA-KBPBESRZSA-N 1 0 287.469 2.429 10 0 CEAERO CC[NH2+][C@H](C)[C@@H](O)c1c(Cl)n(C)nc1C(C)C ZINC000094724014 184847551 /nfs/dbraw/zinc/84/75/51/184847551.db2.gz CLKXHKMOWVLTMZ-LDYMZIIASA-N 1 0 259.781 2.228 10 0 CEAERO [NH3+]Cc1cccc(CNc2ccc3nccnc3n2)c1 ZINC000094725723 184847558 /nfs/dbraw/zinc/84/75/58/184847558.db2.gz VTNVBTVPIHAZEM-UHFFFAOYSA-N 1 0 265.320 2.096 10 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2.476 10 0 CEAERO CC[NH2+][C@H](Cc1cccc(OC)c1)[C@@H]1CSCCO1 ZINC000094503530 184811847 /nfs/dbraw/zinc/81/18/47/184811847.db2.gz SDIIOERQNREHAU-CABCVRRESA-N 1 0 281.421 2.348 10 0 CEAERO CCOC(=O)[C@H](N)CC[N@H+](CC(C)C)C1CCCC1 ZINC000094851209 184879922 /nfs/dbraw/zinc/87/99/22/184879922.db2.gz IFTFTPKCIZBPBE-CQSZACIVSA-N 1 0 270.417 2.168 10 0 CEAERO CN[C@@](C[N@H+](CC(C)C)C1CCCC1)(C(=O)OC)C1CC1 ZINC000094851300 184879926 /nfs/dbraw/zinc/87/99/26/184879926.db2.gz VHNHYZWROLWAIF-QGZVFWFLSA-N 1 0 296.455 2.428 10 0 CEAERO CC(C)(C)SCc1noc([C@H]2CC[C@H](C[NH3+])O2)n1 ZINC000094561102 184818557 /nfs/dbraw/zinc/81/85/57/184818557.db2.gz MPGFSZGJBWGWRB-RKDXNWHRSA-N 1 0 271.386 2.280 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccnc(-c2ccc(Cl)cn2)n1 ZINC000094845279 184878497 /nfs/dbraw/zinc/87/84/97/184878497.db2.gz TXNFGBGBBKJBJO-SNVBAGLBSA-N 1 0 262.744 2.472 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1NC(=O)c1cc(C(F)(F)F)ccc1F ZINC000094596971 184823133 /nfs/dbraw/zinc/82/31/33/184823133.db2.gz NUIMDHOTAHJJOR-GHMZBOCLSA-N 1 0 290.260 2.454 10 0 CEAERO [NH3+]CC[C@H]1CN(c2nc3ccccn3n2)c2ccccc21 ZINC000094602141 184824156 /nfs/dbraw/zinc/82/41/56/184824156.db2.gz AXJVNQZWXZYICD-LBPRGKRZSA-N 1 0 279.347 2.313 10 0 CEAERO Cc1nn(C)c(Sc2cccc(F)c2)c1C[NH3+] ZINC000094623437 184828248 /nfs/dbraw/zinc/82/82/48/184828248.db2.gz MWUOOEBDMUFPLP-UHFFFAOYSA-N 1 0 251.330 2.478 10 0 CEAERO Cc1ncccc1C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000094649165 184834701 /nfs/dbraw/zinc/83/47/01/184834701.db2.gz XTCVOXDYDHKXAV-CABCVRRESA-N 1 0 273.380 2.137 10 0 CEAERO Cc1ccccc1CC(=O)N[C@@H]1CC[C@@H](C)[NH2+][C@@H]1C ZINC000094665260 184836902 /nfs/dbraw/zinc/83/69/02/184836902.db2.gz WJNSFFFOPOQTOM-UMVBOHGHSA-N 1 0 260.381 2.183 10 0 CEAERO Cc1cccc(NC(=O)[C@@H](C[NH3+])CC(C)C)c1O ZINC000094701049 184842714 /nfs/dbraw/zinc/84/27/14/184842714.db2.gz VYAWDHFCKXOBDA-LLVKDONJSA-N 1 0 250.342 2.260 10 0 CEAERO CC(C)C[C@@H](C[NH3+])C(=O)N(C)c1ccccc1F ZINC000094699954 184842771 /nfs/dbraw/zinc/84/27/71/184842771.db2.gz WAJPASNAOBYXPB-NSHDSACASA-N 1 0 252.333 2.410 10 0 CEAERO COc1ccc(Cc2noc([C@@H](C[NH3+])CC(C)C)n2)cn1 ZINC000094704635 184843719 /nfs/dbraw/zinc/84/37/19/184843719.db2.gz LIAJOZBCXRUNEW-GFCCVEGCSA-N 1 0 290.367 2.152 10 0 CEAERO CCN(CC(C)(C)C[NH3+])C(=O)Cc1cccc(F)c1F ZINC000094713704 184845385 /nfs/dbraw/zinc/84/53/85/184845385.db2.gz UUJSNVKSZMOCCU-UHFFFAOYSA-N 1 0 284.350 2.341 10 0 CEAERO [NH3+]CCc1cn(Cc2nccs2)c2ncccc12 ZINC000094978175 184909415 /nfs/dbraw/zinc/90/94/15/184909415.db2.gz YBJJBHVCMWNGCW-UHFFFAOYSA-N 1 0 258.350 2.042 10 0 CEAERO C[C@H]([NH3+])[C@H](c1ccsc1)N(C)CCOCC1CC1 ZINC000094983995 184910203 /nfs/dbraw/zinc/91/02/03/184910203.db2.gz ZTUUMXBFFHEMJN-SMDDNHRTSA-N 1 0 268.426 2.495 10 0 CEAERO CCC[C@@H]1CN(Cc2nccs2)[C@H](C2CC2)C[NH2+]1 ZINC000094979480 184910395 /nfs/dbraw/zinc/91/03/95/184910395.db2.gz TZXOUSWODGXEIT-OLZOCXBDSA-N 1 0 265.426 2.496 10 0 CEAERO COC(=O)[C@H]1CN(c2cc[nH+]c3ccccc32)C[C@@H]1C ZINC000095016192 184916011 /nfs/dbraw/zinc/91/60/11/184916011.db2.gz PTKKCSOIXYETOH-AAEUAGOBSA-N 1 0 270.332 2.480 10 0 CEAERO CC[C@H]([NH2+]C)c1nnc(C[C@H]2CCCCO2)s1 ZINC000095033358 184920192 /nfs/dbraw/zinc/92/01/92/184920192.db2.gz HFSICBQIWWICRT-ZJUUUORDSA-N 1 0 255.387 2.320 10 0 CEAERO C[C@H]1CCC[C@H](CNC(=O)Cc2ccc(F)cc2F)[NH2+]1 ZINC000095066516 184929192 /nfs/dbraw/zinc/92/91/92/184929192.db2.gz KHDAQKIJAMNSTF-GXFFZTMASA-N 1 0 282.334 2.154 10 0 CEAERO C[C@H]1CCC[C@@H](CNC(=O)Cc2ccc(F)cc2F)[NH2+]1 ZINC000095066518 184929904 /nfs/dbraw/zinc/92/99/04/184929904.db2.gz KHDAQKIJAMNSTF-GWCFXTLKSA-N 1 0 282.334 2.154 10 0 CEAERO CCOC(=O)Cc1csc(NCC[NH+](CC)CC)n1 ZINC000095082070 184937819 /nfs/dbraw/zinc/93/78/19/184937819.db2.gz JAEFNKABZYMXJQ-UHFFFAOYSA-N 1 0 285.413 2.002 10 0 CEAERO CC(C)CCN(C(=O)N1CC[NH2+]CC1)C1CCCC1 ZINC000094847419 184880623 /nfs/dbraw/zinc/88/06/23/184880623.db2.gz OURHVPZXIRLEBJ-UHFFFAOYSA-N 1 0 267.417 2.302 10 0 CEAERO [NH3+][C@H]1Cc2ccccc2[C@H]1Nc1ncnc2c1CCCC2 ZINC000094873130 184885277 /nfs/dbraw/zinc/88/52/77/184885277.db2.gz PWXXOWIVARBYMK-GOEBONIOSA-N 1 0 280.375 2.392 10 0 CEAERO Cc1cscc1CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000094877205 184886245 /nfs/dbraw/zinc/88/62/45/184886245.db2.gz XWWNCUDVCKZYEX-LLVKDONJSA-N 1 0 252.383 2.062 10 0 CEAERO CCc1ccsc1CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000094876907 184886815 /nfs/dbraw/zinc/88/68/15/184886815.db2.gz MUDQADDGNIFZKJ-NWDGAFQWSA-N 1 0 266.410 2.444 10 0 CEAERO Cc1cccc(CN(C)[C@@H](CC[NH3+])C(F)(F)F)n1 ZINC000094911550 184891120 /nfs/dbraw/zinc/89/11/20/184891120.db2.gz WVDFOUBUKNMGPJ-NSHDSACASA-N 1 0 261.291 2.102 10 0 CEAERO Cc1cccc(CN(C)[C@H](c2ccncc2)[C@@H](C)[NH3+])n1 ZINC000094911400 184891207 /nfs/dbraw/zinc/89/12/07/184891207.db2.gz LJOQGXWWBCKVTR-CJNGLKHVSA-N 1 0 270.380 2.305 10 0 CEAERO CCN(Cc1ccccn1)C(=O)[C@H]1CCCCC[C@H]1[NH3+] ZINC000094914765 184892270 /nfs/dbraw/zinc/89/22/70/184892270.db2.gz OTJBHBMENAQKSQ-LSDHHAIUSA-N 1 0 275.396 2.338 10 0 CEAERO CC[N@H+](Cc1ccccn1)[C@H](C)[C@@H](C)C(=O)OC ZINC000094919600 184894255 /nfs/dbraw/zinc/89/42/55/184894255.db2.gz PGYIQVOPFFONFB-VXGBXAGGSA-N 1 0 250.342 2.101 10 0 CEAERO Cc1ccc(C(=O)NC[C@@H]2CCC[C@@H]2C[NH3+])c(F)c1 ZINC000094925459 184894834 /nfs/dbraw/zinc/89/48/34/184894834.db2.gz SCRGKNDDEBFMQK-NEPJUHHUSA-N 1 0 264.344 2.239 10 0 CEAERO CCC[NH2+][C@@H](C)[C@@H](CC)c1nc(-c2ncc[nH]2)no1 ZINC000094940681 184896891 /nfs/dbraw/zinc/89/68/91/184896891.db2.gz GHXRCKOJHDCBTL-VHSXEESVSA-N 1 0 263.345 2.341 10 0 CEAERO Cc1cc(F)ccc1CCNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000094956033 184903313 /nfs/dbraw/zinc/90/33/13/184903313.db2.gz ULFVHQCLDNDTSD-MRXNPFEDSA-N 1 0 286.350 2.493 10 0 CEAERO CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)c1ccc(OC)cc1 ZINC000282288887 195564057 /nfs/dbraw/zinc/56/40/57/195564057.db2.gz LOVNRQOGEVVASS-TUKIKUTGSA-N 1 0 276.380 2.403 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000402173833 533530215 /nfs/dbraw/zinc/53/02/15/533530215.db2.gz XKIZCFPRZRJKEZ-SYQHCUMBSA-N 1 0 298.427 2.399 10 0 CEAERO CC[C@H](CC[NH3+])CCC(=O)N1CC(=O)Nc2ccccc21 ZINC000079207489 134490316 /nfs/dbraw/zinc/49/03/16/134490316.db2.gz JYVQLWBRLPRFNS-LBPRGKRZSA-N 1 0 289.379 2.127 10 0 CEAERO C[C@@H]1CCc2ccccc2N1C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079510125 134491557 /nfs/dbraw/zinc/49/15/57/134491557.db2.gz ZQYXIDXWIBPJGD-MLGOLLRUSA-N 1 0 258.365 2.496 10 0 CEAERO [NH3+]C1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000019480549 134701539 /nfs/dbraw/zinc/70/15/39/134701539.db2.gz PGDHWMQAVRMGJS-UHFFFAOYSA-N 1 0 266.213 2.310 10 0 CEAERO CCCOc1cncc(N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000071175971 134958965 /nfs/dbraw/zinc/95/89/65/134958965.db2.gz AJOWGMNDYXPTLY-KBPBESRZSA-N 1 0 290.411 2.234 10 0 CEAERO C[C@H]1CN(c2cc(Br)ccc2N)CC[N@@H+]1C ZINC000083731827 135030649 /nfs/dbraw/zinc/03/06/49/135030649.db2.gz WIJVVYGZHBPAHE-VIFPVBQESA-N 1 0 284.201 2.172 10 0 CEAERO Cc1cccc(N2CC[NH2+]CC2)c1Br ZINC000084595130 135033641 /nfs/dbraw/zinc/03/36/41/135033641.db2.gz KGOQWBKUZSPBRX-UHFFFAOYSA-N 1 0 255.159 2.167 10 0 CEAERO Cc1ccc2c(c1)CCCN2[C@H](C)C[C@](C)([NH3+])CO ZINC000085216407 135035485 /nfs/dbraw/zinc/03/54/85/135035485.db2.gz CCMIFSVZAMFLCF-CJNGLKHVSA-N 1 0 262.397 2.236 10 0 CEAERO CC[NH2+][C@](C)(CO)CN1CCCc2cc(C)ccc21 ZINC000085216379 135035656 /nfs/dbraw/zinc/03/56/56/135035656.db2.gz RQLOYNMPQIGMTJ-INIZCTEOSA-N 1 0 262.397 2.108 10 0 CEAERO C[C@@H]1Cc2ccccc2N(C(=O)[C@H]2CCC[C@@H]2[NH3+])C1 ZINC000085375356 135036638 /nfs/dbraw/zinc/03/66/38/135036638.db2.gz TUIRZGCMKNGZAL-XBFCOCLRSA-N 1 0 258.365 2.339 10 0 CEAERO CC[C@]1(C)CN(c2ccc(F)cc2OC)CC[NH2+]1 ZINC000086145054 135039264 /nfs/dbraw/zinc/03/92/64/135039264.db2.gz PHUALLOHRZUYFG-CQSZACIVSA-N 1 0 252.333 2.413 10 0 CEAERO COC[C@@H]([NH2+][C@H]1CC(=O)N(C)c2ccccc21)C(C)C ZINC000086682932 135048286 /nfs/dbraw/zinc/04/82/86/135048286.db2.gz AKOIRLOXIPVKPY-UONOGXRCSA-N 1 0 276.380 2.355 10 0 CEAERO COC[C@@H]([NH2+][C@@H]1CC(=O)N(C)c2ccccc21)C(C)C ZINC000086682928 135048643 /nfs/dbraw/zinc/04/86/43/135048643.db2.gz AKOIRLOXIPVKPY-ZIAGYGMSSA-N 1 0 276.380 2.355 10 0 CEAERO CC[C@H](C[NH3+])C(=O)N1CCSc2ccccc21 ZINC000087532585 135050124 /nfs/dbraw/zinc/05/01/24/135050124.db2.gz APUGOMRXEZENGS-SNVBAGLBSA-N 1 0 250.367 2.110 10 0 CEAERO CCOc1cc(N2CCC(C[NH2+]C(C)C)CC2)ncn1 ZINC000090784587 135064594 /nfs/dbraw/zinc/06/45/94/135064594.db2.gz YSTNMANDMCZMBC-UHFFFAOYSA-N 1 0 278.400 2.090 10 0 CEAERO C[NH2+]CC[C@H]1CCCCN1c1cc(OC(C)C)ncn1 ZINC000090786165 135064924 /nfs/dbraw/zinc/06/49/24/135064924.db2.gz PRBVTNNZZTXHFN-CYBMUJFWSA-N 1 0 278.400 2.232 10 0 CEAERO CC(C)[NH2+]C[C@H]1CCCN(c2cc(OC(C)C)ncn2)C1 ZINC000090786094 135065108 /nfs/dbraw/zinc/06/51/08/135065108.db2.gz MXZMJCGVCNCFTD-CQSZACIVSA-N 1 0 292.427 2.478 10 0 CEAERO CCC[NH2+]C[C@H]1CCCN(c2cc(OCC)nc(C)n2)C1 ZINC000090788151 135065690 /nfs/dbraw/zinc/06/56/90/135065690.db2.gz PDHDESFXRIIVAC-CQSZACIVSA-N 1 0 292.427 2.400 10 0 CEAERO C[C@H]([NH3+])Cc1cc(F)c(N2C[C@H]3CC[C@@H](C2)O3)c(F)c1 ZINC000090908255 135066629 /nfs/dbraw/zinc/06/66/29/135066629.db2.gz HLTMNEMBITXACQ-ZMLRMANQSA-N 1 0 282.334 2.222 10 0 CEAERO C[C@H]([NH3+])Cc1ccc(N2C[C@H]3CC[C@@H](C2)O3)c(F)c1 ZINC000090908288 135066729 /nfs/dbraw/zinc/06/67/29/135066729.db2.gz UOJMFRDODLCACA-WCFLWFBJSA-N 1 0 264.344 2.083 10 0 CEAERO C[C@@H]1[C@@H](C)CCCN1c1cncc(C[NH2+]C2CC2)n1 ZINC000091418158 135069459 /nfs/dbraw/zinc/06/94/59/135069459.db2.gz LXHSBGPTBILAKO-NWDGAFQWSA-N 1 0 260.385 2.353 10 0 CEAERO CC[NH2+]Cc1cncc(N2CCC[C@H]3CCC[C@@H]32)n1 ZINC000091422047 135070038 /nfs/dbraw/zinc/07/00/38/135070038.db2.gz VHPYWDILLNUINR-OCCSQVGLSA-N 1 0 260.385 2.355 10 0 CEAERO Cc1ccc(C(F)(F)F)cc1N1CCC[C@H]([NH3+])C1=O ZINC000091481068 135071020 /nfs/dbraw/zinc/07/10/20/135071020.db2.gz MOEFKKXPWBWAKC-JTQLQIEISA-N 1 0 272.270 2.468 10 0 CEAERO [NH3+]CC1(N2CCN(c3ccc(Cl)cc3)CC2)CCC1 ZINC000093394485 135080480 /nfs/dbraw/zinc/08/04/80/135080480.db2.gz QGEJVXPOQWUGEO-UHFFFAOYSA-N 1 0 279.815 2.343 10 0 CEAERO C[C@H]1c2ccsc2CCN1c1ccc(N)c(N)[nH+]1 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CEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc2cc[nH]c21 ZINC000246830190 394521682 /nfs/dbraw/zinc/52/16/82/394521682.db2.gz CULVZEIBVNJLKB-JSGCOSHPSA-N 1 0 283.375 2.477 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1n[nH]c2ccccc21 ZINC000247043634 394525579 /nfs/dbraw/zinc/52/55/79/394525579.db2.gz VQOPDULKKFBUPF-OLZOCXBDSA-N 1 0 298.390 2.262 10 0 CEAERO CC(C)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCCc3c2cnn3C)C1 ZINC000247091260 394526265 /nfs/dbraw/zinc/52/62/65/394526265.db2.gz PKWGZEIJCOVEQE-VHDGCEQUSA-N 1 0 276.428 2.116 10 0 CEAERO C[C@@H]1CC[C@H](NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)[C@@H](C)C1 ZINC000247542735 394532364 /nfs/dbraw/zinc/53/23/64/394532364.db2.gz YODLIUZDKMOSCJ-QPSCCSFWSA-N 1 0 279.428 2.301 10 0 CEAERO COc1cc(F)cc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)c1 ZINC000312271212 394540975 /nfs/dbraw/zinc/54/09/75/394540975.db2.gz JDUKDBPTORCVLL-WFASDCNBSA-N 1 0 267.344 2.475 10 0 CEAERO CC(C)[C@]1(C)C[C@H]1C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248466913 394541081 /nfs/dbraw/zinc/54/10/81/394541081.db2.gz DWEVISUBVLDBOR-DZKIICNBSA-N 1 0 264.413 2.365 10 0 CEAERO CC[C@@H]1C[C@H](C(=O)N(C)C[C@H]2CCC[N@@H+]2CC)CCO1 ZINC000248589338 394543639 /nfs/dbraw/zinc/54/36/39/394543639.db2.gz RKGSRNGIZNFULK-RBSFLKMASA-N 1 0 282.428 2.134 10 0 CEAERO FC(F)Oc1ccc(NC[C@@H]2CCCC[NH2+]2)nc1 ZINC000327882811 394550419 /nfs/dbraw/zinc/55/04/19/394550419.db2.gz MBQSAEXQXACNTA-VIFPVBQESA-N 1 0 257.284 2.237 10 0 CEAERO Cc1nc(Cl)cc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1 ZINC000112259483 394743567 /nfs/dbraw/zinc/74/35/67/394743567.db2.gz WNEFSGRBEIVVAC-LLVKDONJSA-N 1 0 266.776 2.113 10 0 CEAERO CC[C@H]1C[N@H+](CCCc2ccccc2)CCN1C[C@@H](C)O ZINC000105826648 394722667 /nfs/dbraw/zinc/72/26/67/394722667.db2.gz ZBRABSTWEOQQHE-AEFFLSMTSA-N 1 0 290.451 2.396 10 0 CEAERO Cc1cnc(NC(=O)N2CC[C@H]([NH3+])C(C)(C)C2)s1 ZINC000335254839 394753801 /nfs/dbraw/zinc/75/38/01/394753801.db2.gz BFBXCPVHMUOGJT-VIFPVBQESA-N 1 0 268.386 2.043 10 0 CEAERO CCCC[C@@H](COC)[NH2+][C@H]1CCCn2nc(COC)nc21 ZINC000125303058 394842764 /nfs/dbraw/zinc/84/27/64/394842764.db2.gz YOGSCQYBIIJEAY-STQMWFEESA-N 1 0 296.415 2.054 10 0 CEAERO C[C@H]1CN(C(=O)CCSc2ccccc2F)C[C@H]1[NH3+] ZINC000423939341 395030281 /nfs/dbraw/zinc/03/02/81/395030281.db2.gz AIXYVLMYQWEGSU-CMPLNLGQSA-N 1 0 282.384 2.114 10 0 CEAERO C[C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)CN1C1CC1 ZINC000341471983 395002549 /nfs/dbraw/zinc/00/25/49/395002549.db2.gz USDHVFJKAZEVEW-SBJFKYEJSA-N 1 0 266.429 2.405 10 0 CEAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)NC1CCCC1 ZINC000134760231 394958904 /nfs/dbraw/zinc/95/89/04/394958904.db2.gz OKMHSSXSRGONAJ-GXTWGEPZSA-N 1 0 265.401 2.197 10 0 CEAERO CCCC[C@@H](COC)[NH2+][C@H]1CCCn2nc(CC)nc21 ZINC000167829584 395088018 /nfs/dbraw/zinc/08/80/18/395088018.db2.gz XGSFOFHTCKFYGA-STQMWFEESA-N 1 0 280.416 2.470 10 0 CEAERO C[C@@H]1CCC[C@H](C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000172907781 395107358 /nfs/dbraw/zinc/10/73/58/395107358.db2.gz PVEZGSMALRBTQV-HZSPNIEDSA-N 1 0 250.386 2.119 10 0 CEAERO CCc1cc(CC)nc(N2CC[C@H]([NH3+])[C@@H](CC)C2)n1 ZINC000382119723 395179217 /nfs/dbraw/zinc/17/92/17/395179217.db2.gz BLCROBPPZKJAAK-FZMZJTMJSA-N 1 0 262.401 2.165 10 0 CEAERO COC(=O)c1sccc1C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398819166 395237856 /nfs/dbraw/zinc/23/78/56/395237856.db2.gz YXZDMQXTICDEAY-WCFLWFBJSA-N 1 0 295.404 2.128 10 0 CEAERO Cc1cc(C)c(O)c(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000384255787 395191827 /nfs/dbraw/zinc/19/18/27/395191827.db2.gz OGVSTBWQRDSGNH-NWDGAFQWSA-N 1 0 262.353 2.336 10 0 CEAERO CO[C@H](C[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O)C1CC1 ZINC000400138135 395250664 /nfs/dbraw/zinc/25/06/64/395250664.db2.gz VBGAQDBQTOALHQ-XUWVNRHRSA-N 1 0 267.413 2.427 10 0 CEAERO CC(C)N(Cc1ccccn1)C(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000384374846 395192887 /nfs/dbraw/zinc/19/28/87/395192887.db2.gz JPIRTCUFJPSZCL-HIFRSBDPSA-N 1 0 275.396 2.207 10 0 CEAERO C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)N(C)C ZINC000400334689 395251650 /nfs/dbraw/zinc/25/16/50/395251650.db2.gz DXVLZHFQQCDVDS-MELADBBJSA-N 1 0 299.459 2.172 10 0 CEAERO CCOc1cc(C)nc(N2CC[NH+]([C@@H](C)CC)CC2)n1 ZINC000181125257 395209922 /nfs/dbraw/zinc/20/99/22/395209922.db2.gz CATRVXUQDFSNAB-ZDUSSCGKSA-N 1 0 278.400 2.104 10 0 CEAERO COc1ccccc1C[C@H](C)[NH2+][C@@H]1CCCN[C@@H]1C ZINC000396637472 395218371 /nfs/dbraw/zinc/21/83/71/395218371.db2.gz NZXBMLBZYOCYHY-GZBFAFLISA-N 1 0 262.397 2.356 10 0 CEAERO CCOCC[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H]2C(C)C)C[C@H]1CC ZINC000185438571 395279308 /nfs/dbraw/zinc/27/93/08/395279308.db2.gz RXIHPVDJGWAEHE-BZUAXINKSA-N 1 0 296.455 2.238 10 0 CEAERO CC[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cccc(F)c1 ZINC000188182515 395311151 /nfs/dbraw/zinc/31/11/51/395311151.db2.gz UHGARELNJGDEQW-KGLIPLIRSA-N 1 0 274.343 2.473 10 0 CEAERO [NH3+][C@]1(CO)CC[C@@H](c2ccc(Br)cc2)C1 ZINC000205611072 395473277 /nfs/dbraw/zinc/47/32/77/395473277.db2.gz MKDOHHWCOHETDN-ZYHUDNBSSA-N 1 0 270.170 2.406 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cnc(-c2ccccc2)nc1 ZINC000193624920 395411786 /nfs/dbraw/zinc/41/17/86/395411786.db2.gz QHGDHJJVRUOTTC-IUODEOHRSA-N 1 0 296.374 2.014 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NC1CC(c2ccccc2)C1 ZINC000648063818 395823722 /nfs/dbraw/zinc/82/37/22/395823722.db2.gz BJINHEAMGFLWNW-LMPOIIKSSA-N 1 0 272.392 2.424 10 0 CEAERO O=C1COc2ccc(C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)cc2N1 ZINC000648070372 395825762 /nfs/dbraw/zinc/82/57/62/395825762.db2.gz VWWWLSHKPWWHSX-YNEHKIRRSA-N 1 0 272.348 2.296 10 0 CEAERO COCc1nc(C[NH2+][C@@H](C)[C@@H](OC)C2CC2)cs1 ZINC000648797036 395985671 /nfs/dbraw/zinc/98/56/71/395985671.db2.gz IVSQDMTYTDXQFU-TVQRCGJNSA-N 1 0 270.398 2.193 10 0 CEAERO COc1ccccc1NC(=O)C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000646091221 396289491 /nfs/dbraw/zinc/28/94/91/396289491.db2.gz HRYLFBNVSMZINE-YNEHKIRRSA-N 1 0 274.364 2.412 10 0 CEAERO CC(C)Oc1ccc(C(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000646796406 396382128 /nfs/dbraw/zinc/38/21/28/396382128.db2.gz MCWORCUSZWOFNK-CYBMUJFWSA-N 1 0 262.353 2.037 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)CCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000647032873 396405489 /nfs/dbraw/zinc/40/54/89/396405489.db2.gz FCAXVIZILUWWHB-NQBHXWOUSA-N 1 0 264.369 2.060 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)C1(c2cccc(C)c2)CCC1 ZINC000647032427 396405660 /nfs/dbraw/zinc/40/56/60/396405660.db2.gz IOHQTTWIOZBSCO-ZDUSSCGKSA-N 1 0 260.381 2.141 10 0 CEAERO CC(=O)N[C@@H]1CCCN(Cc2cnc(CC(C)C)s2)C1 ZINC000153949146 289128295 /nfs/dbraw/zinc/12/82/95/289128295.db2.gz VGRCFMZAPIZLEE-CYBMUJFWSA-N 1 0 295.452 2.442 10 0 CEAERO [NH3+]C1CCC(C(=O)N2CCO[C@H](c3ccccc3)C2)CC1 ZINC000037818413 400120667 /nfs/dbraw/zinc/12/06/67/400120667.db2.gz CVDWQDFTPHTSFT-GPANFISMSA-N 1 0 288.391 2.104 10 0 CEAERO CCC[C@H](C[N@@H+]1C[C@H]2CCCCN2C[C@@H]1C)OC ZINC000386218337 400525611 /nfs/dbraw/zinc/52/56/11/400525611.db2.gz NXHKMJUPEHERKC-RRFJBIMHSA-N 1 0 254.418 2.360 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)NCCCCOCc1ccccc1 ZINC000390707242 400540573 /nfs/dbraw/zinc/54/05/73/400540573.db2.gz HLIVTHBUTDYSNT-MRXNPFEDSA-N 1 0 292.423 2.473 10 0 CEAERO C[C@H](COCc1ccccc1)NC(=O)CCC(C)(C)[NH3+] ZINC000390719352 400541014 /nfs/dbraw/zinc/54/10/14/400541014.db2.gz DXFTVUNUQLBXHY-CYBMUJFWSA-N 1 0 278.396 2.225 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCC1(C2CC2)CCC1 ZINC000393334456 400544298 /nfs/dbraw/zinc/54/42/98/400544298.db2.gz XPFNWFCSWIEICM-YPMHNXCESA-N 1 0 250.386 2.058 10 0 CEAERO CC1CC[NH+](CCCCNC(=O)[C@@H]2CCCO[C@@H]2C)CC1 ZINC000188763014 153069142 /nfs/dbraw/zinc/06/91/42/153069142.db2.gz BGILLOUOYPGDFU-HZPDHXFCSA-N 1 0 296.455 2.430 10 0 CEAERO Cc1oncc1C[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000189657915 153102383 /nfs/dbraw/zinc/10/23/83/153102383.db2.gz JWUMUZVOXKSQBT-KBPBESRZSA-N 1 0 278.377 2.252 10 0 CEAERO CC[NH+](CC)CCCN1CCC(c2cc[nH]n2)CC1 ZINC000191469289 153175501 /nfs/dbraw/zinc/17/55/01/153175501.db2.gz LGDRLBLZBGUUKG-UHFFFAOYSA-N 1 0 264.417 2.321 10 0 CEAERO CC[NH+](CC)CCCN1CC[C@@H](Oc2cccnc2)C1 ZINC000191555077 153182107 /nfs/dbraw/zinc/18/21/07/153182107.db2.gz LHKLAJQHIOWMFG-MRXNPFEDSA-N 1 0 277.412 2.267 10 0 CEAERO CCCC(=O)N[C@H]1CCCN(c2cc[nH+]cc2C)C1 ZINC000192555619 153212175 /nfs/dbraw/zinc/21/21/75/153212175.db2.gz IREBSKNYKDRRSE-ZDUSSCGKSA-N 1 0 261.369 2.275 10 0 CEAERO C[C@H]([NH2+]CC(=O)NCCC1=CCCCC1)[C@@H]1CCCO1 ZINC000193124241 153226935 /nfs/dbraw/zinc/22/69/35/153226935.db2.gz JCVZXNVKHMKTFI-ZFWWWQNUSA-N 1 0 280.412 2.150 10 0 CEAERO COc1ncccc1C[NH+]1CCC(c2ccnn2C)CC1 ZINC000193325329 153230159 /nfs/dbraw/zinc/23/01/59/153230159.db2.gz HUOPWYBIBMXQNY-UHFFFAOYSA-N 1 0 286.379 2.203 10 0 CEAERO COc1ncccc1C[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000193371581 153232264 /nfs/dbraw/zinc/23/22/64/153232264.db2.gz BTJYTAFHTKYNIP-OAHLLOKOSA-N 1 0 286.379 2.260 10 0 CEAERO O=C(Cc1ccc(F)cc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195091124 153275712 /nfs/dbraw/zinc/27/57/12/153275712.db2.gz ZSHPGCMTTCXAIE-OAHLLOKOSA-N 1 0 276.355 2.065 10 0 CEAERO O=C(Cc1ccc(F)cc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195091142 153276264 /nfs/dbraw/zinc/27/62/64/153276264.db2.gz ZSHPGCMTTCXAIE-HNNXBMFYSA-N 1 0 276.355 2.065 10 0 CEAERO O=C(c1cccc(OC(F)F)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195314613 153280881 /nfs/dbraw/zinc/28/08/81/153280881.db2.gz FXWXBHXBZJOALG-LBPRGKRZSA-N 1 0 296.317 2.208 10 0 CEAERO COCCCN1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000195373379 153287626 /nfs/dbraw/zinc/28/76/26/153287626.db2.gz IAGKAVDWGFVLON-LLVKDONJSA-N 1 0 253.346 2.366 10 0 CEAERO CCO[C@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000195338265 153289072 /nfs/dbraw/zinc/28/90/72/153289072.db2.gz YQMBLJZLTHWPME-CVEARBPZSA-N 1 0 288.391 2.071 10 0 CEAERO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1ncc(Cl)s1 ZINC000225353330 153325681 /nfs/dbraw/zinc/32/56/81/153325681.db2.gz RUJFCBNJEFFTPK-DTWKUNHWSA-N 1 0 260.790 2.437 10 0 CEAERO OCC[C@@H]1CCN(c2cc(C(F)(F)F)ccn2)C1 ZINC000226803136 153338027 /nfs/dbraw/zinc/33/80/27/153338027.db2.gz JBUWUDQUDAEHDA-VIFPVBQESA-N 1 0 260.259 2.309 10 0 CEAERO OCC[C@H]1CC[N@H+](Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000227567673 153346583 /nfs/dbraw/zinc/34/65/83/153346583.db2.gz ZRIBROBOGSKRDG-LLVKDONJSA-N 1 0 297.782 2.316 10 0 CEAERO C[C@H](O)C[C@H](C)[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000228076139 153354098 /nfs/dbraw/zinc/35/40/98/153354098.db2.gz VJBYGDCXNABKJA-STQMWFEESA-N 1 0 259.353 2.121 10 0 CEAERO CCNC(=O)C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000229318376 153374381 /nfs/dbraw/zinc/37/43/81/153374381.db2.gz YIEOPODBGAXBRF-GFCCVEGCSA-N 1 0 297.196 2.162 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nc(CC(C)C)no1 ZINC000245428786 153494911 /nfs/dbraw/zinc/49/49/11/153494911.db2.gz MTANWNIFXMNJMA-KGLIPLIRSA-N 1 0 292.427 2.327 10 0 CEAERO Fc1cc(F)cc(CN2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000245697681 153509748 /nfs/dbraw/zinc/50/97/48/153509748.db2.gz COIFSWOBJUIUIS-AWEZNQCLSA-N 1 0 252.308 2.245 10 0 CEAERO CC1(C)CN(C(=O)c2ccc(F)c(F)c2)CC[C@@H]1[NH3+] ZINC000259337130 153752131 /nfs/dbraw/zinc/75/21/31/153752131.db2.gz YECPKWBUUNNKTM-LBPRGKRZSA-N 1 0 268.307 2.164 10 0 CEAERO CO[C@H](C)c1nsc(NCC[C@H]2CCC[NH2+]C2)n1 ZINC000261557919 153755433 /nfs/dbraw/zinc/75/54/33/153755433.db2.gz CVVYYLSMQWVMRA-NXEZZACHSA-N 1 0 270.402 2.047 10 0 CEAERO Cc1ccc(F)cc1C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261563604 153759382 /nfs/dbraw/zinc/75/93/82/153759382.db2.gz AZQPYTJLGPPSBL-CYBMUJFWSA-N 1 0 264.344 2.334 10 0 CEAERO CC1(C)CN(C(=O)c2ccccc2OC(F)F)CC[C@H]1[NH3+] ZINC000261649928 153798084 /nfs/dbraw/zinc/79/80/84/153798084.db2.gz JOSHAUACRMWLSH-GFCCVEGCSA-N 1 0 298.333 2.487 10 0 CEAERO CC(=O)Nc1ccc(F)c(NC(=O)CC[C@@H]2CCC[NH2+]2)c1 ZINC000261682756 153805833 /nfs/dbraw/zinc/80/58/33/153805833.db2.gz MPHYVDHUTNYVEL-NSHDSACASA-N 1 0 293.342 2.255 10 0 CEAERO CC(=O)c1ccc(CC(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])cc1 ZINC000261778874 153835297 /nfs/dbraw/zinc/83/52/97/153835297.db2.gz KZOOFRYYAKMKQL-MLGOLLRUSA-N 1 0 288.391 2.018 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)c1cc(Cl)ccc1OC(F)F ZINC000261868584 153860874 /nfs/dbraw/zinc/86/08/74/153860874.db2.gz ZJPSGCAMXAYQQV-SSDOTTSWSA-N 1 0 292.713 2.279 10 0 CEAERO CC(=O)c1csc(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000261951220 153884259 /nfs/dbraw/zinc/88/42/59/153884259.db2.gz YYNKILMLNKPZQH-LBPRGKRZSA-N 1 0 280.393 2.150 10 0 CEAERO C[C@@H]1CN(Cc2ncc(C(C)(C)C)s2)C[C@@H]1[NH3+] ZINC000261985366 153892318 /nfs/dbraw/zinc/89/23/18/153892318.db2.gz JSMHLLLFFZOVNJ-ZJUUUORDSA-N 1 0 253.415 2.220 10 0 CEAERO C[C@H]1CN(Cc2cnc(C3CCC3)s2)C[C@H]1[NH3+] ZINC000262026991 153899388 /nfs/dbraw/zinc/89/93/88/153899388.db2.gz NRBDTCGNGNWMHZ-JOYOIKCWSA-N 1 0 251.399 2.190 10 0 CEAERO C[C@@H](C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1)c1ccsc1 ZINC000262066219 153909167 /nfs/dbraw/zinc/90/91/67/153909167.db2.gz SAKREVBZXLVQHE-ZYHUDNBSSA-N 1 0 266.410 2.437 10 0 CEAERO Cc1cccc(O[C@H](C)C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000262088253 153912765 /nfs/dbraw/zinc/91/27/65/153912765.db2.gz UFILVZYJDNDQBX-UKRRQHHQSA-N 1 0 290.407 2.348 10 0 CEAERO C[C@@H](C(=O)N(CC1CC1)C1CCCCC1)C1C[NH2+]C1 ZINC000262206532 153926591 /nfs/dbraw/zinc/92/65/91/153926591.db2.gz NQNCWHOEOWKBLI-GFCCVEGCSA-N 1 0 264.413 2.413 10 0 CEAERO Cc1nc(CN(C)C(=O)[C@H]2CCCC[C@]2(C)[NH3+])cs1 ZINC000263003827 154006086 /nfs/dbraw/zinc/00/60/86/154006086.db2.gz OYNMLUGOHCBFNP-OCCSQVGLSA-N 1 0 281.425 2.318 10 0 CEAERO C[NH2+]CCN(C)C(=O)[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000263078592 154013855 /nfs/dbraw/zinc/01/38/55/154013855.db2.gz CVDNMOCNNZTRHM-HZPDHXFCSA-N 1 0 290.407 2.141 10 0 CEAERO C[C@H](CC1CCCC1)c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263166150 154029600 /nfs/dbraw/zinc/02/96/00/154029600.db2.gz FFDCCQMKOORAFX-YPMHNXCESA-N 1 0 278.400 2.330 10 0 CEAERO Cc1ccccc1C1(c2nc([C@@H]3C[NH2+]CCN3C)no2)CC1 ZINC000263208333 154034211 /nfs/dbraw/zinc/03/42/11/154034211.db2.gz JZMVOOOYIOXDLH-AWEZNQCLSA-N 1 0 298.390 2.034 10 0 CEAERO CCC(C)(C)C1CCC([NH2+]C[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC000263209106 154035588 /nfs/dbraw/zinc/03/55/88/154035588.db2.gz KBYJOXLVTWTSNU-VXGQWTEUSA-N 1 0 268.445 2.151 10 0 CEAERO C/C(=C/c1nc([C@@H]2C[NH2+]CCN2C)no1)c1ccccc1 ZINC000263294198 154051529 /nfs/dbraw/zinc/05/15/29/154051529.db2.gz WCIDARJBKVKYOD-HCYCVZQXSA-N 1 0 284.363 2.206 10 0 CEAERO COCCC[N@H+](C)CCNC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000152432103 292337811 /nfs/dbraw/zinc/33/78/11/292337811.db2.gz GXPDOOUTVOQHAQ-HZPDHXFCSA-N 1 0 296.455 2.287 10 0 CEAERO C[C@@H]([NH3+])[C@H]1CCCN(c2ccncc2Br)C1 ZINC000159906096 162319309 /nfs/dbraw/zinc/31/93/09/162319309.db2.gz ZGCPWYIPXRGDJC-ZJUUUORDSA-N 1 0 284.201 2.408 10 0 CEAERO Cc1ccc2cccc(NC(=O)[C@H](C)C3C[NH2+]C3)c2n1 ZINC000164518318 162335314 /nfs/dbraw/zinc/33/53/14/162335314.db2.gz NKQFWUOVISPFOQ-LLVKDONJSA-N 1 0 269.348 2.337 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1Nc1ccc(C(F)(F)F)nn1 ZINC000167120824 162358303 /nfs/dbraw/zinc/35/83/03/162358303.db2.gz NBQZJCCSZDRMNI-DTWKUNHWSA-N 1 0 274.290 2.425 10 0 CEAERO [NH3+]C[C@H]1CCCN1C(=O)c1cc(F)c(Cl)cc1F ZINC000167665555 162361149 /nfs/dbraw/zinc/36/11/49/162361149.db2.gz WWJHJNGUDASGPZ-SSDOTTSWSA-N 1 0 274.698 2.182 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1cc(F)c(Cl)cc1F ZINC000167652978 162361626 /nfs/dbraw/zinc/36/16/26/162361626.db2.gz YCRYDZURJHHPKR-JMCQJSRRSA-N 1 0 288.725 2.475 10 0 CEAERO COc1cc(C)nc(C[N@@H+]2CCC[C@H]2CCCO)c1 ZINC000168888914 162369955 /nfs/dbraw/zinc/36/99/55/162369955.db2.gz YZDNYYLVLHNAND-AWEZNQCLSA-N 1 0 264.369 2.136 10 0 CEAERO Cn1c(C[N@@H+]2CCC[C@@H]2C2CCC2)nnc1C1CC1 ZINC000170872496 162374080 /nfs/dbraw/zinc/37/40/80/162374080.db2.gz APMHXSKAXVZAJZ-CYBMUJFWSA-N 1 0 260.385 2.457 10 0 CEAERO CCCC[NH+]1CCC(NC(=O)N2CCS[C@@H](C)C2)CC1 ZINC000171437180 162383935 /nfs/dbraw/zinc/38/39/35/162383935.db2.gz CIRWGHGLQFPYIN-ZDUSSCGKSA-N 1 0 299.484 2.398 10 0 CEAERO COC(=O)c1oc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1C ZINC000172081383 162398747 /nfs/dbraw/zinc/39/87/47/162398747.db2.gz QTERIBOLIQLQTB-STQMWFEESA-N 1 0 292.379 2.043 10 0 CEAERO C[N@H+](CC1CCCCC1)[C@H](CN)C1CCOCC1 ZINC000052177631 522657085 /nfs/dbraw/zinc/65/70/85/522657085.db2.gz HYOODZQHRPQCNT-OAHLLOKOSA-N 1 0 254.418 2.252 10 0 CEAERO C[C@@H]([NH3+])C1CCN(c2ccc(C(F)(F)F)nn2)CC1 ZINC000167028988 165036412 /nfs/dbraw/zinc/03/64/12/165036412.db2.gz BGDSTUXCTCSBJV-MRVPVSSYSA-N 1 0 274.290 2.059 10 0 CEAERO O=C(NCCC1=CCCCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171896361 165052109 /nfs/dbraw/zinc/05/21/09/165052109.db2.gz QYJCQPLVQGMVLT-HNNXBMFYSA-N 1 0 277.412 2.367 10 0 CEAERO C[C@H](NC(=O)c1cn[nH]c1)c1cccc(-n2ccnc2)c1 ZINC000173929877 165091244 /nfs/dbraw/zinc/09/12/44/165091244.db2.gz OQKOBUALAIAEHC-NSHDSACASA-N 1 0 281.319 2.086 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ncc(Cl)n1C ZINC000175042580 165123889 /nfs/dbraw/zinc/12/38/89/165123889.db2.gz KLJACTBVMGEXHG-NWDGAFQWSA-N 1 0 282.819 2.132 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)CCOc1ccccc1 ZINC000175349350 165135227 /nfs/dbraw/zinc/13/52/27/165135227.db2.gz GFODZQTZPGJRKC-HNNXBMFYSA-N 1 0 262.397 2.482 10 0 CEAERO C[C@@H]1C[C@@H]1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176022255 165151264 /nfs/dbraw/zinc/15/12/64/165151264.db2.gz LYWQNYHWLJOOAW-RISCZKNCSA-N 1 0 265.401 2.101 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CCC1CCOCC1 ZINC000176983297 165181575 /nfs/dbraw/zinc/18/15/75/165181575.db2.gz LRUGCBJCKHKCER-OAHLLOKOSA-N 1 0 282.428 2.136 10 0 CEAERO CCCSCC(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000177026130 165187297 /nfs/dbraw/zinc/18/72/97/165187297.db2.gz QPQVQMBRNUDFTL-GFCCVEGCSA-N 1 0 258.431 2.072 10 0 CEAERO COCCCC[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178288046 165230994 /nfs/dbraw/zinc/23/09/94/165230994.db2.gz JUCPNVFMAYKWLB-CQSZACIVSA-N 1 0 251.374 2.083 10 0 CEAERO O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000178744387 165256002 /nfs/dbraw/zinc/25/60/02/165256002.db2.gz ZJXOOUMEYHVLPH-MJBXVCDLSA-N 1 0 278.783 2.312 10 0 CEAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccco1)CC2 ZINC000180628339 165316973 /nfs/dbraw/zinc/31/69/73/165316973.db2.gz XHFXVASGRUIRRE-GHMZBOCLSA-N 1 0 260.341 2.099 10 0 CEAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cnc(C)s1)CC2 ZINC000180633807 165318403 /nfs/dbraw/zinc/31/84/03/165318403.db2.gz CZCXTSDYLZFRLU-ONGXEEELSA-N 1 0 291.424 2.271 10 0 CEAERO CCCCC[C@H](CC)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000180862947 165322605 /nfs/dbraw/zinc/32/26/05/165322605.db2.gz PLODTHQISWELNI-GJZGRUSLSA-N 1 0 284.444 2.382 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCCC(=O)OC(C)(C)C ZINC000181882211 165360115 /nfs/dbraw/zinc/36/01/15/165360115.db2.gz OEIVBCRIPAMTCN-UONOGXRCSA-N 1 0 282.428 2.277 10 0 CEAERO CCn1cc(C2CC[NH+](C[C@H](C)OC)CC2)cn1 ZINC000182107812 165363098 /nfs/dbraw/zinc/36/30/98/165363098.db2.gz GOHKYTQGCKRGAW-LBPRGKRZSA-N 1 0 251.374 2.117 10 0 CEAERO CCC[C@@H](C(=O)N[C@H]1CC(C)(C)OC1(C)C)[NH+](C)C ZINC000183102731 165383731 /nfs/dbraw/zinc/38/37/31/165383731.db2.gz HAUZIOSUCRHGRI-RYUDHWBXSA-N 1 0 270.417 2.179 10 0 CEAERO C[NH+](C)CCNC(=O)c1csc2c1CCCCC2 ZINC000005070320 170063868 /nfs/dbraw/zinc/06/38/68/170063868.db2.gz LYUYPWXCLYCPNC-UHFFFAOYSA-N 1 0 266.410 2.308 10 0 CEAERO COc1ccc(CC(=O)Nc2cccc(C[NH3+])c2)cc1 ZINC000019400083 170784842 /nfs/dbraw/zinc/78/48/42/170784842.db2.gz QZTHXBBUAISGNU-UHFFFAOYSA-N 1 0 270.332 2.335 10 0 CEAERO C[C@@H]1CC[C@@H](C(=O)Nc2ccc3c(c2)OCCCO3)C[NH2+]1 ZINC000019478578 170808530 /nfs/dbraw/zinc/80/85/30/170808530.db2.gz FPRSSRSQMYFIOT-VXGBXAGGSA-N 1 0 290.363 2.175 10 0 CEAERO Cc1cccc(C)c1OCC[C@@H](C[NH3+])N1CCCC1 ZINC000019664579 170833758 /nfs/dbraw/zinc/83/37/58/170833758.db2.gz ZUHLZNGDRQOSSD-HNNXBMFYSA-N 1 0 262.397 2.495 10 0 CEAERO [NH3+][C@H]1CCCc2cccc(Br)c2[C@H]1O ZINC000019795502 170868482 /nfs/dbraw/zinc/86/84/82/170868482.db2.gz OXJVAHMZTUKYNS-ONGXEEELSA-N 1 0 256.143 2.146 10 0 CEAERO Cc1ccccc1C[C@@H]([NH3+])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000019842864 170891100 /nfs/dbraw/zinc/89/11/00/170891100.db2.gz MEFXHFYAKCVRFY-CYBMUJFWSA-N 1 0 267.332 2.407 10 0 CEAERO [NH3+][C@@H](Cc1ccc(F)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000019842763 170891203 /nfs/dbraw/zinc/89/12/03/170891203.db2.gz SFYUWUKCIDTRIZ-LBPRGKRZSA-N 1 0 271.295 2.238 10 0 CEAERO NC(=[NH2+])c1ccc(COc2ccc3c(c2)OCO3)c(F)c1 ZINC000019843677 170891883 /nfs/dbraw/zinc/89/18/83/170891883.db2.gz WIGCZPJRFBNXMY-UHFFFAOYSA-N 1 0 288.278 2.417 10 0 CEAERO C[C@H]1CCC[C@@](C[NH3+])(N(C)CCc2ccccn2)C1 ZINC000019843983 170892108 /nfs/dbraw/zinc/89/21/08/170892108.db2.gz FSTAQINODDKEPY-GOEBONIOSA-N 1 0 261.413 2.464 10 0 CEAERO Fc1ccc(C[NH2+][C@H]2CN3CCC2CC3)cc1F ZINC000019946125 170936613 /nfs/dbraw/zinc/93/66/13/170936613.db2.gz LMTCIDLDYMBISI-AWEZNQCLSA-N 1 0 252.308 2.149 10 0 CEAERO CCC[C@@H](C)[NH2+]CC(=O)Nc1cccc(OC)c1 ZINC000020040656 170975779 /nfs/dbraw/zinc/97/57/79/170975779.db2.gz UEUFNIVUKRPLHU-LLVKDONJSA-N 1 0 250.342 2.412 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])CN1CCN(c2ccccc2)CC1 ZINC000020072479 170983179 /nfs/dbraw/zinc/98/31/79/170983179.db2.gz WBSAGYQYPSJUKC-ZBFHGGJFSA-N 1 0 261.413 2.182 10 0 CEAERO c1coc([C@@H](C[NH2+]C[C@H]2CCOC2)N2CCCC2)c1 ZINC000020123128 171003948 /nfs/dbraw/zinc/00/39/48/171003948.db2.gz NXGYANQAVDZYGA-ZIAGYGMSSA-N 1 0 264.369 2.043 10 0 CEAERO c1ccc(CC[NH2+]CCc2nnc3ccccn32)cc1 ZINC000020128178 171014327 /nfs/dbraw/zinc/01/43/27/171014327.db2.gz JCUXWHADEOVIPB-UHFFFAOYSA-N 1 0 266.348 2.104 10 0 CEAERO c1nc2ccccc2n1CCC[NH2+]C[C@H]1CCOC1 ZINC000020130298 171019550 /nfs/dbraw/zinc/01/95/50/171019550.db2.gz YXHGKSIUVXXFGD-CYBMUJFWSA-N 1 0 259.353 2.053 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCCC2 ZINC000020133355 171021510 /nfs/dbraw/zinc/02/15/10/171021510.db2.gz DNWHXHNKYKOFRJ-MLGOLLRUSA-N 1 0 293.432 2.403 10 0 CEAERO COc1ccc2cc(C[NH2+]CCNC(C)=O)ccc2c1 ZINC000020148682 171037027 /nfs/dbraw/zinc/03/70/27/171037027.db2.gz NNUUYUUKNMQNHA-UHFFFAOYSA-N 1 0 272.348 2.074 10 0 CEAERO COc1ccc(CC(=O)N(CC[NH3+])C2CCCCC2)cc1 ZINC000020183557 171046361 /nfs/dbraw/zinc/04/63/61/171046361.db2.gz ADHQEWDAJWATSQ-UHFFFAOYSA-N 1 0 290.407 2.358 10 0 CEAERO [NH3+]CCN(C(=O)Cc1ccc(F)cc1)C1CCCCC1 ZINC000020183553 171046526 /nfs/dbraw/zinc/04/65/26/171046526.db2.gz ZOSDDTUOWHBIKY-UHFFFAOYSA-N 1 0 278.371 2.488 10 0 CEAERO CC(C)(CO)[NH2+]Cc1ccccc1OC(F)(F)F ZINC000020196304 171061345 /nfs/dbraw/zinc/06/13/45/171061345.db2.gz MAJVSOAOUUOBRZ-UHFFFAOYSA-N 1 0 263.259 2.446 10 0 CEAERO [NH3+]CCOc1ccc(NC(=O)c2ccccc2F)cc1 ZINC000020224542 171087409 /nfs/dbraw/zinc/08/74/09/171087409.db2.gz NAQPMIPDMIOSES-UHFFFAOYSA-N 1 0 274.295 2.416 10 0 CEAERO CCCN(C)[C@@H](C[NH3+])c1ccc(OC)c(OC)c1 ZINC000020226352 171091178 /nfs/dbraw/zinc/09/11/78/171091178.db2.gz IXZMZHILVTUUMV-LBPRGKRZSA-N 1 0 252.358 2.045 10 0 CEAERO CN(CC(C)(C)C)[C@H](C[NH3+])c1ccc2c(c1)OCCO2 ZINC000020226391 171091723 /nfs/dbraw/zinc/09/17/23/171091723.db2.gz YQBCTMZCTPPOEW-CYBMUJFWSA-N 1 0 278.396 2.436 10 0 CEAERO COc1ccccc1N(CCC[NH3+])C(=O)C(C)C ZINC000020233547 171095721 /nfs/dbraw/zinc/09/57/21/171095721.db2.gz JPSWMGPBPNNJSJ-UHFFFAOYSA-N 1 0 250.342 2.033 10 0 CEAERO Cc1c(C(=O)Nc2cccc([C@H](C)[NH3+])c2)cnn1C ZINC000020251761 171104659 /nfs/dbraw/zinc/10/46/59/171104659.db2.gz FOLPMOJEASUACJ-VIFPVBQESA-N 1 0 258.325 2.001 10 0 CEAERO COc1cc(Br)c2c(c1OC)C[NH2+]CC2 ZINC000020397581 171181122 /nfs/dbraw/zinc/18/11/22/171181122.db2.gz TYGOEQLXDIINDF-UHFFFAOYSA-N 1 0 272.142 2.112 10 0 CEAERO Cc1nn(C)c(Oc2ccc3c(c2)CCC3)c1C[NH3+] ZINC000020470391 171212546 /nfs/dbraw/zinc/21/25/46/171212546.db2.gz GHGVCUNGQCCTJL-UHFFFAOYSA-N 1 0 257.337 2.468 10 0 CEAERO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2ccc3nc(C)ccc3c2)C1 ZINC000284667336 196107457 /nfs/dbraw/zinc/10/74/57/196107457.db2.gz WWQDGGDNQHDBJT-JKSUJKDBSA-N 1 0 286.375 2.125 10 0 CEAERO C[C@H]1CCC[C@H](C(=O)Nc2c(F)cccc2F)[NH2+]1 ZINC000020476461 171221041 /nfs/dbraw/zinc/22/10/41/171221041.db2.gz DMIUAXBLJKIJDK-GZMMTYOYSA-N 1 0 254.280 2.434 10 0 CEAERO C[C@@H](OC(C)(C)C)C(=O)Nc1ccccc1C[NH3+] ZINC000020508663 171229461 /nfs/dbraw/zinc/22/94/61/171229461.db2.gz DPIBMODJLQAYIP-SNVBAGLBSA-N 1 0 250.342 2.287 10 0 CEAERO CCCC1N=NC(=S)N1CCC[NH+](CC)CC ZINC000020590466 171260757 /nfs/dbraw/zinc/26/07/57/171260757.db2.gz GWWZRTYOOAYPEI-UHFFFAOYSA-N 1 0 256.419 2.251 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](c2nc(C3CCCCC3)no2)C1 ZINC000021817296 171332875 /nfs/dbraw/zinc/33/28/75/171332875.db2.gz HCDMFXXAFNCKPO-GHMZBOCLSA-N 1 0 251.330 2.167 10 0 CEAERO COc1cc(N)ccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000022151576 171358603 /nfs/dbraw/zinc/35/86/03/171358603.db2.gz JSCDMIDLRWEHKF-NEPJUHHUSA-N 1 0 291.395 2.336 10 0 CEAERO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C)CC2)c(N)c1 ZINC000022155980 171362540 /nfs/dbraw/zinc/36/25/40/171362540.db2.gz ZOZBKSPOCLJAMS-LBPRGKRZSA-N 1 0 291.395 2.336 10 0 CEAERO Cc1c(N)cccc1NC(=O)C[N@H+]1CCCC[C@@H]1C ZINC000022155900 171362766 /nfs/dbraw/zinc/36/27/66/171362766.db2.gz XKJZBZNLUXJPHD-NSHDSACASA-N 1 0 261.369 2.390 10 0 CEAERO C[C@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(C[NH3+])c1 ZINC000022219740 171377273 /nfs/dbraw/zinc/37/72/73/171377273.db2.gz MDKFJIDDDJBYJN-SMDDNHRTSA-N 1 0 282.409 2.002 10 0 CEAERO C[C@@H]([NH2+]Cc1ccccc1OC(F)(F)F)C(=O)N(C)C ZINC000035149115 172011302 /nfs/dbraw/zinc/01/13/02/172011302.db2.gz CWBPWJFXRTVMKJ-SECBINFHSA-N 1 0 290.285 2.152 10 0 CEAERO COc1cccc([C@H](C[NH2+]C[C@H]2CCCCO2)N(C)C)c1 ZINC000035151284 172014537 /nfs/dbraw/zinc/01/45/37/172014537.db2.gz FGBWTRSKHMRTDN-SJORKVTESA-N 1 0 292.423 2.457 10 0 CEAERO COC[C@@H](C)NC1=[NH+]C[C@@H](c2ccccc2)S1 ZINC000035294485 172106208 /nfs/dbraw/zinc/10/62/08/172106208.db2.gz XLBPOHJHFGTLOW-PWSUYJOCSA-N 1 0 250.367 2.455 10 0 CEAERO C[C@H]1CCCCN1c1nc2sccn2c1C[NH3+] ZINC000035429606 172198236 /nfs/dbraw/zinc/19/82/36/172198236.db2.gz OZVZUSLACAMDSS-VIFPVBQESA-N 1 0 250.371 2.233 10 0 CEAERO CC[NH2+][C@H](Cc1ccccc1OC)c1cnn(C)c1 ZINC000035555632 172261607 /nfs/dbraw/zinc/26/16/07/172261607.db2.gz GPYLVXFDZJFLTM-CQSZACIVSA-N 1 0 259.353 2.322 10 0 CEAERO COc1cccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2[NH3+])c1 ZINC000035571721 172267364 /nfs/dbraw/zinc/26/73/64/172267364.db2.gz DIPGATWUKWINFF-UONOGXRCSA-N 1 0 292.379 2.357 10 0 CEAERO CC[C@@H](C)NS(=O)(=O)c1ccc([C@@H](C)[NH2+]C)cc1 ZINC000035632865 172315652 /nfs/dbraw/zinc/31/56/52/172315652.db2.gz BLPQAQXKAJYCNM-GHMZBOCLSA-N 1 0 270.398 2.044 10 0 CEAERO CC[C@H](C)NS(=O)(=O)c1cccc([C@@H](C)[NH2+]C)c1 ZINC000035632854 172315706 /nfs/dbraw/zinc/31/57/06/172315706.db2.gz ZMZRIPODIDKKCX-WDEREUQCSA-N 1 0 270.398 2.044 10 0 CEAERO C[NH2+][C@H](C)c1ccc(S(=O)(=O)N[C@H](C)C(C)C)cc1 ZINC000035633674 172317168 /nfs/dbraw/zinc/31/71/68/172317168.db2.gz RZZKEBWJQVSPSN-VXGBXAGGSA-N 1 0 284.425 2.290 10 0 CEAERO Cc1ccc(CN(C)C(=O)CCCCCC[NH3+])o1 ZINC000035660277 172337466 /nfs/dbraw/zinc/33/74/66/172337466.db2.gz JTFMOAUQRVUKMM-UHFFFAOYSA-N 1 0 252.358 2.456 10 0 CEAERO CCNC(=O)[C@H](C)Oc1c(Cl)cc(Cl)cc1C[NH3+] ZINC000035661890 172339689 /nfs/dbraw/zinc/33/96/89/172339689.db2.gz PFIOZOLDWSIADC-ZETCQYMHSA-N 1 0 291.178 2.356 10 0 CEAERO C[C@H](NC(=O)c1cccc(F)c1)[C@@H]1CCCC[NH2+]1 ZINC000035690752 172359219 /nfs/dbraw/zinc/35/92/19/172359219.db2.gz OMPWWOVTCIQZKK-GWCFXTLKSA-N 1 0 250.317 2.086 10 0 CEAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccncc1 ZINC000035693333 172362056 /nfs/dbraw/zinc/36/20/56/172362056.db2.gz QNUYFROPYZXMOP-NEPJUHHUSA-N 1 0 263.385 2.426 10 0 CEAERO C[C@@H](NC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)c1ccccn1 ZINC000035694937 172364005 /nfs/dbraw/zinc/36/40/05/172364005.db2.gz GYZIRCNYRPORIY-PAPYEOQZSA-N 1 0 273.380 2.180 10 0 CEAERO [NH3+]Cc1ccc(OCCCOc2cccnc2)cc1 ZINC000035727421 172380923 /nfs/dbraw/zinc/38/09/23/172380923.db2.gz VMPXABBARZYXNJ-UHFFFAOYSA-N 1 0 258.321 2.388 10 0 CEAERO Cn1cc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000035737435 172390754 /nfs/dbraw/zinc/39/07/54/172390754.db2.gz VLMUARFDMSTSHS-HNNXBMFYSA-N 1 0 270.380 2.497 10 0 CEAERO C[C@@H]1CS(=O)(=O)c2ccc(C(C)(C)C)cc2[C@@H]1[NH3+] ZINC000035755766 172396524 /nfs/dbraw/zinc/39/65/24/172396524.db2.gz SMXCFSTYSGJFKG-NOZJJQNGSA-N 1 0 267.394 2.407 10 0 CEAERO O=S1(=O)CCC[C@@H]([NH2+]C2CC2)c2cc(F)ccc21 ZINC000035761532 172399134 /nfs/dbraw/zinc/39/91/34/172399134.db2.gz MEJABOATOGZQKA-GFCCVEGCSA-N 1 0 269.341 2.186 10 0 CEAERO CC[C@H]1CN(C[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CCO1 ZINC000036770129 172688112 /nfs/dbraw/zinc/68/81/12/172688112.db2.gz QLSRJPLQQDJZCJ-AJNGGQMLSA-N 1 0 252.402 2.018 10 0 CEAERO CCC[C@]1([NH2+]C[C@@H](O)COCc2ccccc2)CCOC1 ZINC000285585058 196333869 /nfs/dbraw/zinc/33/38/69/196333869.db2.gz OPGTUUZGBMITTC-SJORKVTESA-N 1 0 293.407 2.113 10 0 CEAERO C[C@H](Cc1cccc(Cl)c1)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000037024281 172888700 /nfs/dbraw/zinc/88/87/00/172888700.db2.gz HPWMVLCZYVHNIC-DGCLKSJQSA-N 1 0 280.799 2.387 10 0 CEAERO [NH3+]CCCCCCC(=O)Nc1ccccc1CO ZINC000037040677 172910476 /nfs/dbraw/zinc/91/04/76/172910476.db2.gz WHAJVXUDEVHJQA-UHFFFAOYSA-N 1 0 250.342 2.027 10 0 CEAERO COc1ccc(OC)c(C[NH2+][C@@H]2CCC[C@H](O)C2)c1 ZINC000037166262 173000326 /nfs/dbraw/zinc/00/03/26/173000326.db2.gz LKRYNCMGPUJNBD-OLZOCXBDSA-N 1 0 265.353 2.097 10 0 CEAERO COc1cc(C[NH2+][C@@H](CC(C)C)CN(C)C)ccc1O ZINC000037166668 173001211 /nfs/dbraw/zinc/00/12/11/173001211.db2.gz MACPWGBMCMVNBR-AWEZNQCLSA-N 1 0 280.412 2.467 10 0 CEAERO C[N@H+](CCOc1cccc(N)c1)[C@H]1CCSC1 ZINC000037174107 173008444 /nfs/dbraw/zinc/00/84/44/173008444.db2.gz LNEPJMKKQZVGBZ-LBPRGKRZSA-N 1 0 252.383 2.085 10 0 CEAERO C[C@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccc(F)cc1 ZINC000037217397 173035646 /nfs/dbraw/zinc/03/56/46/173035646.db2.gz BRHKLWNTBKZWRD-JTQLQIEISA-N 1 0 265.332 2.019 10 0 CEAERO CC[C@H]([NH2+]CC(=O)NC)c1cccc(Br)c1 ZINC000037254049 173065144 /nfs/dbraw/zinc/06/51/44/173065144.db2.gz OJGVNXFAHPTHMO-NSHDSACASA-N 1 0 285.185 2.236 10 0 CEAERO C[C@@H]([NH2+][C@@H](c1cccs1)C1CCCC1)C(N)=O ZINC000037261545 173071381 /nfs/dbraw/zinc/07/13/81/173071381.db2.gz WBMOCFHIIBOUPT-BXKDBHETSA-N 1 0 252.383 2.443 10 0 CEAERO NC(=O)CC[NH2+][C@@H]1CCOc2c(Cl)cc(Cl)cc21 ZINC000037262112 173071575 /nfs/dbraw/zinc/07/15/75/173071575.db2.gz KPNWCYFFVUQZHH-SNVBAGLBSA-N 1 0 289.162 2.282 10 0 CEAERO CC(C)[N@H+](C)CC(=O)Nc1cc(N)ccc1Cl ZINC000037272265 173083593 /nfs/dbraw/zinc/08/35/93/173083593.db2.gz CWUWQVQLUDGJCE-UHFFFAOYSA-N 1 0 255.749 2.201 10 0 CEAERO [NH3+][C@H](Cc1ccccc1)c1ccc2[nH]c(=O)oc2c1 ZINC000037308743 173111645 /nfs/dbraw/zinc/11/16/45/173111645.db2.gz QSEWEGMNYQJCON-GFCCVEGCSA-N 1 0 254.289 2.364 10 0 CEAERO COc1cc(C[NH2+]CC(OC)OC)cc(Cl)c1OC ZINC000037388371 173171686 /nfs/dbraw/zinc/17/16/86/173171686.db2.gz RNNLVHGZELZRLR-UHFFFAOYSA-N 1 0 289.759 2.066 10 0 CEAERO CSCC[C@H]([NH3+])c1nc2c(cccc2F)n1C ZINC000037442551 173211243 /nfs/dbraw/zinc/21/12/43/173211243.db2.gz SSEIPUZXRYWYEQ-VIFPVBQESA-N 1 0 253.346 2.465 10 0 CEAERO CC(C)[NH2+][C@@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000037446545 173213354 /nfs/dbraw/zinc/21/33/54/173213354.db2.gz VAEPNPKXUZCGAE-GFCCVEGCSA-N 1 0 274.286 2.404 10 0 CEAERO C[C@@H](NC(=O)C[NH2+]C1CC1)c1ccc(Cl)s1 ZINC000037477044 173227880 /nfs/dbraw/zinc/22/78/80/173227880.db2.gz KRUOKNKMPOZSSP-SSDOTTSWSA-N 1 0 258.774 2.331 10 0 CEAERO Cc1nc([C@@H](C)[NH2+][C@@H]2CN3CCC2CC3)cs1 ZINC000037507684 173241781 /nfs/dbraw/zinc/24/17/81/173241781.db2.gz IKHHLQXXPFMAEZ-BXKDBHETSA-N 1 0 251.399 2.196 10 0 CEAERO CCN(C(=O)c1cccc(F)c1)C1CC[NH2+]CC1 ZINC000037537330 173256802 /nfs/dbraw/zinc/25/68/02/173256802.db2.gz NHDDZGYKEWQDQL-UHFFFAOYSA-N 1 0 250.317 2.040 10 0 CEAERO CCN(C(=O)c1c(C)cc(C)cc1C)[C@@H]1CC[NH2+]C1 ZINC000037539795 173261120 /nfs/dbraw/zinc/26/11/20/173261120.db2.gz RHDAMDBHVZFIJQ-CQSZACIVSA-N 1 0 260.381 2.436 10 0 CEAERO CCCN(C(=O)c1ccc(C)o1)[C@@H]1CCC[NH2+]C1 ZINC000037541526 173263322 /nfs/dbraw/zinc/26/33/22/173263322.db2.gz RDFVSSNAMMFRGY-GFCCVEGCSA-N 1 0 250.342 2.192 10 0 CEAERO C[C@@H]([NH3+])CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000037607387 173555174 /nfs/dbraw/zinc/55/51/74/173555174.db2.gz PLMSTEKMDFMPPN-CYBMUJFWSA-N 1 0 260.381 2.205 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)Nc1c(C)nn(C(C)C)c1C ZINC000037771100 173703593 /nfs/dbraw/zinc/70/35/93/173703593.db2.gz HTFPPMSBPMIAHH-SNVBAGLBSA-N 1 0 266.389 2.407 10 0 CEAERO O=C(C[NH2+]C1CC1)N1CCc2sccc2[C@@H]1C1CC1 ZINC000037803203 173742150 /nfs/dbraw/zinc/74/21/50/173742150.db2.gz PXCBYCQHRSSLJZ-HNNXBMFYSA-N 1 0 276.405 2.336 10 0 CEAERO CC(C)C[NH2+]C[C@@H](O)CO[C@H](C)c1ccccc1 ZINC000037852114 173804173 /nfs/dbraw/zinc/80/41/73/173804173.db2.gz JAPUDWDLLBJQGJ-UKRRQHHQSA-N 1 0 251.370 2.371 10 0 CEAERO COc1ccc([C@H]([NH2+]C2CCCCC2)C(N)=O)cc1OC ZINC000037969707 173918059 /nfs/dbraw/zinc/91/80/59/173918059.db2.gz VVUPYEBVJSZVTF-HNNXBMFYSA-N 1 0 292.379 2.153 10 0 CEAERO C[C@@H](C[NH2+]Cc1ccc2c(c1)OCO2)N1CCCCC1 ZINC000038028219 174016366 /nfs/dbraw/zinc/01/63/66/174016366.db2.gz RSLVNQFQPFUCAX-ZDUSSCGKSA-N 1 0 276.380 2.379 10 0 CEAERO C[C@H](CNc1ccnc(C(=O)N(C)C)c1)[NH+]1CCCCC1 ZINC000038029269 174019578 /nfs/dbraw/zinc/01/95/78/174019578.db2.gz KADTZQGVBSKMPP-CYBMUJFWSA-N 1 0 290.411 2.070 10 0 CEAERO Cc1cnc(C)c(N(CC[NH3+])Cc2ccccc2)n1 ZINC000038033139 174030488 /nfs/dbraw/zinc/03/04/88/174030488.db2.gz UFUMPTHUXMNVMF-UHFFFAOYSA-N 1 0 256.353 2.059 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CNc1c(F)cc(N)cc1F ZINC000038039924 174039931 /nfs/dbraw/zinc/03/99/31/174039931.db2.gz YWNUENBNOPWKSM-JTQLQIEISA-N 1 0 255.312 2.443 10 0 CEAERO Cc1ccccc1NC(=O)[C@H]1CCCN1C1CC[NH2+]CC1 ZINC000038042962 174047017 /nfs/dbraw/zinc/04/70/17/174047017.db2.gz XBYDWZITZBBDSJ-MRXNPFEDSA-N 1 0 287.407 2.150 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)CSc1ccccc1 ZINC000038048555 174059374 /nfs/dbraw/zinc/05/93/74/174059374.db2.gz RUPNDSLEGSJNGU-OLZOCXBDSA-N 1 0 264.394 2.165 10 0 CEAERO CCOc1ccccc1C(=O)N[C@H]1CCCC[C@H]1[NH3+] ZINC000038049687 174061254 /nfs/dbraw/zinc/06/12/54/174061254.db2.gz LSQQGQXJZOAVOG-OLZOCXBDSA-N 1 0 262.353 2.085 10 0 CEAERO CC(C)[C@@H]([NH2+]C[C@@H]1COCCO1)c1cccs1 ZINC000038060961 174072554 /nfs/dbraw/zinc/07/25/54/174072554.db2.gz MGDQUAYPSNGMES-DGCLKSJQSA-N 1 0 255.383 2.450 10 0 CEAERO CC[C@@H](C)[NH2+][C@@](C)(C(N)=O)c1ccc(F)cc1F ZINC000038065570 174076384 /nfs/dbraw/zinc/07/63/84/174076384.db2.gz FRTVZKCEXLJIGJ-AMIZOPFISA-N 1 0 256.296 2.053 10 0 CEAERO CC[NH2+][C@@H](C[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000038085299 174095851 /nfs/dbraw/zinc/09/58/51/174095851.db2.gz UEHLKEMALDKZCB-JSGCOSHPSA-N 1 0 267.394 2.162 10 0 CEAERO CC(C)CCC[NH2+]Cc1ccc(C(N)=O)cc1F ZINC000038093986 174107319 /nfs/dbraw/zinc/10/73/19/174107319.db2.gz KUJLGKPNOHSITC-UHFFFAOYSA-N 1 0 252.333 2.450 10 0 CEAERO COC(=O)c1cc(Br)ccc1[C@H](C)[NH3+] ZINC000039951717 174176689 /nfs/dbraw/zinc/17/66/89/174176689.db2.gz PXXUQGDVBPKWEJ-LURJTMIESA-N 1 0 258.115 2.255 10 0 CEAERO C[C@@H]([NH3+])Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000040173587 174199771 /nfs/dbraw/zinc/19/97/71/174199771.db2.gz OIGALTRBRNHILD-MRVPVSSYSA-N 1 0 262.334 2.429 10 0 CEAERO CSCC[C@H]([NH3+])C(=O)N[C@H](C)c1ccccc1F ZINC000040464177 174273685 /nfs/dbraw/zinc/27/36/85/174273685.db2.gz NIEBMPCQMMLSSF-SKDRFNHKSA-N 1 0 270.373 2.083 10 0 CEAERO CC(C)(C)C[NH2+]C[C@@H](O)COCc1ccccc1 ZINC000040493568 174293246 /nfs/dbraw/zinc/29/32/46/174293246.db2.gz VUJKMKAFJRUKGU-CQSZACIVSA-N 1 0 251.370 2.200 10 0 CEAERO CCN1CCC[C@H]([NH2+]Cc2cccc3c2OCCCO3)C1 ZINC000040502663 174298682 /nfs/dbraw/zinc/29/86/82/174298682.db2.gz ORZQUVYMVJYXTA-HNNXBMFYSA-N 1 0 290.407 2.422 10 0 CEAERO CCN1CCC[C@@H]([NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000040502944 174299282 /nfs/dbraw/zinc/29/92/82/174299282.db2.gz JWFMGZXZZKVLKZ-CYBMUJFWSA-N 1 0 293.377 2.087 10 0 CEAERO Cc1cc(C)c(C(N)=S)c(NCCCn2ccnc2)[nH+]1 ZINC000040510194 174304102 /nfs/dbraw/zinc/30/41/02/174304102.db2.gz NTVNWZYPZPJKKH-UHFFFAOYSA-N 1 0 289.408 2.031 10 0 CEAERO Cc1cc(C)c(C(N)=[NH2+])c(N(C)Cc2ccccn2)n1 ZINC000040515111 174306670 /nfs/dbraw/zinc/30/66/70/174306670.db2.gz ICPIOYQLZRXLFK-UHFFFAOYSA-N 1 0 269.352 2.014 10 0 CEAERO CC[NH+](CC)C[C@H](O)CN[C@@H](C)c1sc(C)nc1C ZINC000040518534 174307783 /nfs/dbraw/zinc/30/77/83/174307783.db2.gz FGEKGJVSCHSOHD-GXFFZTMASA-N 1 0 285.457 2.113 10 0 CEAERO COC(=O)[C@H](C)C[NH2+][C@H](C)c1sc(C)nc1C ZINC000040518632 174307796 /nfs/dbraw/zinc/30/77/96/174307796.db2.gz SJIZRMPGQFLILX-HTQZYQBOSA-N 1 0 256.371 2.220 10 0 CEAERO CCOC(=O)CC[NH2+][C@@H](C)c1sc(C)nc1C ZINC000040518772 174308577 /nfs/dbraw/zinc/30/85/77/174308577.db2.gz GWKIIPVUBMGPFA-QMMMGPOBSA-N 1 0 256.371 2.364 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](CN2CCC(Cc3ccccc3)CC2)C1 ZINC000040637447 174361648 /nfs/dbraw/zinc/36/16/48/174361648.db2.gz QOVUDVWCJGCRPM-QZTJIDSGSA-N 1 0 288.435 2.318 10 0 CEAERO COc1ccc(-c2nc([C@H]3C[C@@H](OC)C[NH2+]3)[nH]c2C)cc1 ZINC000040637670 174361675 /nfs/dbraw/zinc/36/16/75/174361675.db2.gz IKNBBIZJPMEITQ-ZIAGYGMSSA-N 1 0 287.363 2.443 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](c2nc(-c3cc(C)oc3C)c[nH]2)C1 ZINC000040637751 174361696 /nfs/dbraw/zinc/36/16/96/174361696.db2.gz OSLFCXGPCYYEFM-JQWIXIFHSA-N 1 0 261.325 2.336 10 0 CEAERO CO[C@@H]1C[NH2+][C@@H](c2nc(-c3c(F)cccc3F)c[nH]2)C1 ZINC000040637832 174361811 /nfs/dbraw/zinc/36/18/11/174361811.db2.gz UEMUOESJPWUXPK-GZMMTYOYSA-N 1 0 279.290 2.404 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](c2nc(-c3ccc(F)cc3F)c[nH]2)C1 ZINC000040637854 174361972 /nfs/dbraw/zinc/36/19/72/174361972.db2.gz SAEMIBPLOBOQGZ-CABZTGNLSA-N 1 0 279.290 2.404 10 0 CEAERO COc1ccccc1-c1c[nH]c([C@@H]2C[C@H](OC)C[NH2+]2)n1 ZINC000040637915 174362471 /nfs/dbraw/zinc/36/24/71/174362471.db2.gz RXDTYRTXYBFVET-JQWIXIFHSA-N 1 0 273.336 2.135 10 0 CEAERO C[C@H](NCc1cccc2c1OCO2)[C@@H]1CCC[N@H+](C)C1 ZINC000040667115 174366154 /nfs/dbraw/zinc/36/61/54/174366154.db2.gz UIGPRUDLOKWPHC-GXTWGEPZSA-N 1 0 276.380 2.235 10 0 CEAERO CC(C)Oc1cccc([C@@H](CO)[NH2+]C[C@@H]2CCCO2)c1 ZINC000040666837 174366253 /nfs/dbraw/zinc/36/62/53/174366253.db2.gz RFUFEVAXYPMLIN-JKSUJKDBSA-N 1 0 279.380 2.276 10 0 CEAERO CCCCOC(=O)CNC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000040669308 174367956 /nfs/dbraw/zinc/36/79/56/174367956.db2.gz XSYDZBUEHQPPFT-ZBFHGGJFSA-N 1 0 284.444 2.430 10 0 CEAERO C[C@H]1CCC[C@](CNCC(=O)NC(C)(C)C)([NH+](C)C)C1 ZINC000040669670 174368009 /nfs/dbraw/zinc/36/80/09/174368009.db2.gz QAVAGFVBQYHUMM-BBRMVZONSA-N 1 0 283.460 2.001 10 0 CEAERO c1ccc(CCN2CC[C@@H]([NH2+]Cc3ccccn3)C2)cc1 ZINC000040671209 174368920 /nfs/dbraw/zinc/36/89/20/174368920.db2.gz RFTDRBKCFVMVDU-GOSISDBHSA-N 1 0 281.403 2.488 10 0 CEAERO CCOC1CCN([C@H](C[NH3+])c2cccc(C)c2)CC1 ZINC000040689106 174375657 /nfs/dbraw/zinc/37/56/57/174375657.db2.gz YVUMJJJJYHWPMZ-MRXNPFEDSA-N 1 0 262.397 2.496 10 0 CEAERO CCOC1CCN(C[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000040690194 174376979 /nfs/dbraw/zinc/37/69/79/174376979.db2.gz ANNTYFBDXFLJMU-HNNXBMFYSA-N 1 0 262.397 2.057 10 0 CEAERO C[N@@H+]1CCC[C@@H](Nc2ccc(N)c(OC(C)(C)C)n2)C1 ZINC000040715768 174383014 /nfs/dbraw/zinc/38/30/14/174383014.db2.gz YTSHHABBHQKAPP-LLVKDONJSA-N 1 0 278.400 2.347 10 0 CEAERO C[C@@H](C(=O)Nc1cc(N)ccc1F)[N@@H+]1CC[C@@H](C)C1 ZINC000040716756 174384104 /nfs/dbraw/zinc/38/41/04/174384104.db2.gz ZXPBKPLEWMUSEQ-ZJUUUORDSA-N 1 0 265.332 2.077 10 0 CEAERO C[C@@H]1CCN([C@@H](C[NH3+])c2ccc(Br)o2)C1 ZINC000040717557 174384902 /nfs/dbraw/zinc/38/49/02/174384902.db2.gz MCYJQRHUCXLIBI-BDAKNGLRSA-N 1 0 273.174 2.384 10 0 CEAERO Cc1nn([C@@H](C)C(=O)Nc2ccc(C[NH3+])cc2)c(C)c1C ZINC000040728954 174388229 /nfs/dbraw/zinc/38/82/29/174388229.db2.gz WFVTZHDAKNKDHW-ZDUSSCGKSA-N 1 0 286.379 2.467 10 0 CEAERO Oc1ccc(CC[NH2+][C@@H]2COc3cc(O)ccc32)cc1 ZINC000040735464 174389047 /nfs/dbraw/zinc/38/90/47/174389047.db2.gz WMZRQYHVBSUCJT-OAHLLOKOSA-N 1 0 271.316 2.364 10 0 CEAERO CCN(CC(=O)Nc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748314 174393139 /nfs/dbraw/zinc/39/31/39/174393139.db2.gz CKDYAHLYGFPMAH-XYPWUTKMSA-N 1 0 287.407 2.230 10 0 CEAERO CCN(Cc1nnc(C(C)(C)C)o1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748095 174393224 /nfs/dbraw/zinc/39/32/24/174393224.db2.gz ZBCDVPGBSTYASG-FUNVUKJBSA-N 1 0 292.427 2.472 10 0 CEAERO CCN(Cc1noc(C(C)(C)C)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748283 174393406 /nfs/dbraw/zinc/39/34/06/174393406.db2.gz KLHLYSMBRZKDOI-FUNVUKJBSA-N 1 0 292.427 2.472 10 0 CEAERO CCN(Cc1nccn1C(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748273 174393449 /nfs/dbraw/zinc/39/34/49/174393449.db2.gz FSQGQFOFWKYIOF-FOSCPWQOSA-N 1 0 284.354 2.383 10 0 CEAERO COc1ccc(/C=C/C(=O)N2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040749614 174394294 /nfs/dbraw/zinc/39/42/94/174394294.db2.gz JYFOMJXKMGNDDU-GMEZOOBVSA-N 1 0 286.375 2.189 10 0 CEAERO Cc1c(N)cc(C(=O)NCC[NH+]2CCCCCC2)cc1F ZINC000040766946 174398063 /nfs/dbraw/zinc/39/80/63/174398063.db2.gz NIKPGPZXBLBXER-UHFFFAOYSA-N 1 0 293.386 2.322 10 0 CEAERO CCOC(=O)c1c(NC(=O)C[C@@H](C)[NH3+])sc2c1CCC2 ZINC000040853276 174421563 /nfs/dbraw/zinc/42/15/63/174421563.db2.gz JYEFFJRWIZBJJE-MRVPVSSYSA-N 1 0 296.392 2.089 10 0 CEAERO CCOC(=O)c1ccc(NC(=O)C2CCC([NH3+])CC2)cc1 ZINC000040859057 174425347 /nfs/dbraw/zinc/42/53/47/174425347.db2.gz IMWTVIALPYBEAO-UHFFFAOYSA-N 1 0 290.363 2.319 10 0 CEAERO CC(C)([NH3+])CCC(=O)N[C@H]1CCOc2ccccc21 ZINC000070087112 414766059 /nfs/dbraw/zinc/76/60/59/414766059.db2.gz FWSKTBPIRBAYMY-LBPRGKRZSA-N 1 0 262.353 2.144 10 0 CEAERO CC(C)([NH3+])c1cn(CCOc2ccccc2Cl)nn1 ZINC000070118148 414766361 /nfs/dbraw/zinc/76/63/61/414766361.db2.gz PICLHXLADGSSSX-UHFFFAOYSA-N 1 0 280.759 2.204 10 0 CEAERO CC(C)([NH3+])c1cn(Cc2cc(-c3ccccc3)on2)nn1 ZINC000070118478 414766708 /nfs/dbraw/zinc/76/67/08/414766708.db2.gz BSICRLAFGBMEJI-UHFFFAOYSA-N 1 0 283.335 2.175 10 0 CEAERO CN(Cc1ccsc1)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000070574248 414772592 /nfs/dbraw/zinc/77/25/92/414772592.db2.gz KDFKPQPPTATQFU-NWDGAFQWSA-N 1 0 252.383 2.224 10 0 CEAERO CCOc1ccc([C@@H](O)CC[NH+](C)C)cc1OCC ZINC000041145767 174496336 /nfs/dbraw/zinc/49/63/36/174496336.db2.gz QTDADYGAGVXCRX-ZDUSSCGKSA-N 1 0 267.369 2.469 10 0 CEAERO OC1(Cc2cccc(Br)c2)CC[NH2+]CC1 ZINC000041391179 174544896 /nfs/dbraw/zinc/54/48/96/174544896.db2.gz AUHJOXDMSQXVHQ-UHFFFAOYSA-N 1 0 270.170 2.106 10 0 CEAERO Cc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1ncccn1 ZINC000126433933 414800677 /nfs/dbraw/zinc/80/06/77/414800677.db2.gz SZAQFTHVWAMDDQ-QWHCGFSZSA-N 1 0 284.363 2.463 10 0 CEAERO C[C@H](NC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1)c1cccs1 ZINC000407453091 414801600 /nfs/dbraw/zinc/80/16/00/414801600.db2.gz MLSSXIYVEPQECU-MVWJERBFSA-N 1 0 264.394 2.456 10 0 CEAERO Cc1cc(C)cc(C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)c1 ZINC000662976356 414814682 /nfs/dbraw/zinc/81/46/82/414814682.db2.gz OFKRCTBGVALZSQ-NSHDSACASA-N 1 0 274.286 2.265 10 0 CEAERO Cc1ccc(C)c(CC(=O)N(C)[C@H](C[NH3+])C(F)(F)F)c1 ZINC000662976550 414816962 /nfs/dbraw/zinc/81/69/62/414816962.db2.gz GNRJMSQMBBLRPF-GFCCVEGCSA-N 1 0 288.313 2.194 10 0 CEAERO C[C@@H]1CCCC[C@@H]1C(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662987188 414818649 /nfs/dbraw/zinc/81/86/49/414818649.db2.gz RTDKZRXQUNRKSF-KXUCPTDWSA-N 1 0 266.307 2.161 10 0 CEAERO C[NH2+][C@@H](C)c1cccc(NC(=O)N2CCO[C@H](C)C2)c1 ZINC000041709242 174611934 /nfs/dbraw/zinc/61/19/34/174611934.db2.gz KIDACECSJVKRQE-NEPJUHHUSA-N 1 0 277.368 2.220 10 0 CEAERO CC[C@H]1CCC[C@@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653093050 414905466 /nfs/dbraw/zinc/90/54/66/414905466.db2.gz UOZQXDHIZDCVOA-IRCOFANPSA-N 1 0 292.345 2.469 10 0 CEAERO CCCC1(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CCC1 ZINC000653103569 414907174 /nfs/dbraw/zinc/90/71/74/414907174.db2.gz MBSPBDSKPQXUJL-GHMZBOCLSA-N 1 0 292.345 2.471 10 0 CEAERO Cc1[nH]c2ccccc2c1C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000653135720 414917488 /nfs/dbraw/zinc/91/74/88/414917488.db2.gz NMOPGEOYGHWFNE-GXFFZTMASA-N 1 0 271.364 2.347 10 0 CEAERO c1[nH]c(C[C@@H]2CCC[NH2+]2)nc1-c1ccc2c(c1)OCCO2 ZINC000042172746 174651812 /nfs/dbraw/zinc/65/18/12/174651812.db2.gz HAAKISCWUWSQER-LBPRGKRZSA-N 1 0 285.347 2.142 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc2ccncc2c1 ZINC000653136025 414919556 /nfs/dbraw/zinc/91/95/56/414919556.db2.gz XZHBMMSONIOKEK-XHDPSFHLSA-N 1 0 269.348 2.105 10 0 CEAERO [NH3+]Cc1cnn(-c2ccc(Cl)nn2)c1-c1ccccc1 ZINC000042188592 174653659 /nfs/dbraw/zinc/65/36/59/174653659.db2.gz MBNOSJVCQAISMX-UHFFFAOYSA-N 1 0 285.738 2.441 10 0 CEAERO CCOC(=O)CC[NH2+]CCc1ccc(Cl)cc1 ZINC000042207533 174658022 /nfs/dbraw/zinc/65/80/22/174658022.db2.gz DYLOVCSNMQPZDJ-UHFFFAOYSA-N 1 0 255.745 2.425 10 0 CEAERO C[NH+](C)CC1CCN(CC(=O)c2cc(F)ccc2F)CC1 ZINC000042395513 174708640 /nfs/dbraw/zinc/70/86/40/174708640.db2.gz HFZOLLYDQBEHHD-UHFFFAOYSA-N 1 0 296.361 2.421 10 0 CEAERO Cc1cccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)c1 ZINC000653056696 414890188 /nfs/dbraw/zinc/89/01/88/414890188.db2.gz VPXAEEWKIHNPEX-GHMZBOCLSA-N 1 0 272.270 2.331 10 0 CEAERO Cc1ccc(F)c(NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)c1 ZINC000653057759 414891510 /nfs/dbraw/zinc/89/15/10/414891510.db2.gz PMMNVUVLDNCILE-RKDXNWHRSA-N 1 0 290.260 2.471 10 0 CEAERO C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653057501 414892050 /nfs/dbraw/zinc/89/20/50/414892050.db2.gz DZDMHCRAFZJCOG-DBIOUOCHSA-N 1 0 278.318 2.079 10 0 CEAERO CC1(C)CCCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653073616 414896700 /nfs/dbraw/zinc/89/67/00/414896700.db2.gz GTHDTDPSJKGAQP-NXEZZACHSA-N 1 0 278.318 2.033 10 0 CEAERO FC(F)(F)c1cccc(NCC23CC(C2)C[NH2+]3)n1 ZINC000663273329 414900251 /nfs/dbraw/zinc/90/02/51/414900251.db2.gz FAGDUGZOBRXKQQ-UHFFFAOYSA-N 1 0 257.259 2.264 10 0 CEAERO Cc1occc1CN(C)[C@@H](CC[NH3+])C(F)(F)F ZINC000042449248 174742982 /nfs/dbraw/zinc/74/29/82/174742982.db2.gz LJTKRSBSAJZAMJ-JTQLQIEISA-N 1 0 250.264 2.300 10 0 CEAERO COCCN(C)[C@H](C[NH3+])c1c(C)cc(C)cc1C ZINC000042458636 174750357 /nfs/dbraw/zinc/75/03/57/174750357.db2.gz DUYBARNORMVCAH-CQSZACIVSA-N 1 0 250.386 2.190 10 0 CEAERO Cc1oc2ccccc2c1C[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000657697087 415052453 /nfs/dbraw/zinc/05/24/53/415052453.db2.gz ZWHUIDWKLIOZEX-LBPRGKRZSA-N 1 0 272.348 2.309 10 0 CEAERO OCC1CC([NH2+]Cc2cc(F)ccc2Br)C1 ZINC000657811157 415090261 /nfs/dbraw/zinc/09/02/61/415090261.db2.gz RVEORDMSLXIXDT-UHFFFAOYSA-N 1 0 288.160 2.449 10 0 CEAERO OCC1CC([NH2+]Cc2c(F)cccc2Br)C1 ZINC000657810779 415090788 /nfs/dbraw/zinc/09/07/88/415090788.db2.gz LBGHLAHAMMXKME-UHFFFAOYSA-N 1 0 288.160 2.449 10 0 CEAERO C[C@@H]1CN(c2nccc3c(N)cccc32)C[C@H]1[NH+](C)C ZINC000663710493 415024024 /nfs/dbraw/zinc/02/40/24/415024024.db2.gz UHOUORZBTZUXJV-IAQYHMDHSA-N 1 0 270.380 2.203 10 0 CEAERO Cc1ccc([C@H](C[NH3+])Oc2ccccc2C(N)=O)cc1 ZINC000042907070 174908535 /nfs/dbraw/zinc/90/85/35/174908535.db2.gz HMLUIAXRXAXLAQ-HNNXBMFYSA-N 1 0 270.332 2.173 10 0 CEAERO COc1ccc([C@H](C[NH3+])n2nc(C)c(C)c2C)cc1 ZINC000042962384 174927102 /nfs/dbraw/zinc/92/71/02/174927102.db2.gz ADXFOKJEUPKDLC-HNNXBMFYSA-N 1 0 259.353 2.365 10 0 CEAERO COC(=O)CCS[C@H](c1ccccc1OC)[C@H](C)[NH3+] ZINC000043101676 174967988 /nfs/dbraw/zinc/96/79/88/174967988.db2.gz BZWQODPCWCQQPU-HZMBPMFUSA-N 1 0 283.393 2.380 10 0 CEAERO COc1ccc(CO[C@@H](c2cnn(C)c2)[C@H](C)[NH3+])cc1 ZINC000043235367 174987338 /nfs/dbraw/zinc/98/73/38/174987338.db2.gz REFOCTFFCSNLSC-XHDPSFHLSA-N 1 0 275.352 2.034 10 0 CEAERO [NH3+][C@H](c1ccc(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000043299940 175000592 /nfs/dbraw/zinc/00/05/92/175000592.db2.gz ISIAKCXOABRYCN-CPCISQLKSA-N 1 0 294.203 2.428 10 0 CEAERO C[NH2+][C@@H](c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300430 175000799 /nfs/dbraw/zinc/00/07/99/175000799.db2.gz RAZZOQBGZGTOBA-PWSUYJOCSA-N 1 0 273.785 2.035 10 0 CEAERO CC[NH2+][C@H](c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043300808 175001743 /nfs/dbraw/zinc/00/17/43/175001743.db2.gz YECNAPJXNOUTNK-WCQYABFASA-N 1 0 287.812 2.425 10 0 CEAERO CCC[NH2+][C@@H](c1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043301211 175001891 /nfs/dbraw/zinc/00/18/91/175001891.db2.gz XNLPUWPBDOVTEC-OCCSQVGLSA-N 1 0 285.384 2.301 10 0 CEAERO CCC[NH2+][C@@H](c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043301371 175001898 /nfs/dbraw/zinc/00/18/98/175001898.db2.gz RZVKTWQLKMGDFN-GJZGRUSLSA-N 1 0 281.421 2.470 10 0 CEAERO CC[C@H]([NH3+])[C@H](Oc1ccccc1C(N)=O)c1ccco1 ZINC000043337307 175012693 /nfs/dbraw/zinc/01/26/93/175012693.db2.gz GYBDHZBENRBISW-FZMZJTMJSA-N 1 0 274.320 2.236 10 0 CEAERO Cc1ncsc1CCO[C@@H](c1ccccn1)[C@H](C)[NH3+] ZINC000043342941 175015715 /nfs/dbraw/zinc/01/57/15/175015715.db2.gz KYUAMFSHDCVISJ-IINYFYTJSA-N 1 0 277.393 2.494 10 0 CEAERO C[C@H]([NH3+])[C@@H](Sc1nncs1)c1ccccn1 ZINC000043344640 175016388 /nfs/dbraw/zinc/01/63/88/175016388.db2.gz HSFVQLXXOLCMKJ-IONNQARKSA-N 1 0 252.368 2.114 10 0 CEAERO Cc1cnc(S[C@H](c2ccccn2)[C@@H](C)[NH3+])nc1 ZINC000043345337 175017019 /nfs/dbraw/zinc/01/70/19/175017019.db2.gz UJNRCPNWWSXMTR-PWSUYJOCSA-N 1 0 260.366 2.361 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1cccnc1)N(C)CCc1ccncc1 ZINC000043347086 175017726 /nfs/dbraw/zinc/01/77/26/175017726.db2.gz DQAZNCNYSCJMSX-DLBZAZTESA-N 1 0 284.407 2.430 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](OC1CCOCC1)c1cccnc1 ZINC000043351478 175019882 /nfs/dbraw/zinc/01/98/82/175019882.db2.gz GXLMUNUUWXLHTN-KGLIPLIRSA-N 1 0 250.342 2.056 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1ccncc1)N(C)CCc1ccncc1 ZINC000043353854 175020784 /nfs/dbraw/zinc/02/07/84/175020784.db2.gz KICKBWAONRRCPW-CJNGLKHVSA-N 1 0 270.380 2.039 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](OCCOC(C)C)c1ccncc1 ZINC000043355686 175023022 /nfs/dbraw/zinc/02/30/22/175023022.db2.gz CJDGIQAMFNMIJJ-KGLIPLIRSA-N 1 0 252.358 2.302 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccncc1)n1cc(Cl)cn1 ZINC000043354976 175023112 /nfs/dbraw/zinc/02/31/12/175023112.db2.gz AWPDORGZUBWADW-VXGBXAGGSA-N 1 0 250.733 2.258 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccc(C)o1)N1CCOC(C)(C)C1 ZINC000043364456 175025980 /nfs/dbraw/zinc/02/59/80/175025980.db2.gz KKKJKADDVDCVAP-GXTWGEPZSA-N 1 0 266.385 2.477 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)N(CCO)C(C)C ZINC000043365149 175026326 /nfs/dbraw/zinc/02/63/26/175026326.db2.gz BYPBSFOAMSFIET-OCCSQVGLSA-N 1 0 254.374 2.069 10 0 CEAERO Cc1ccc([C@@H]([C@H](C)[NH3+])N(CCCO)C(C)C)o1 ZINC000043365166 175026472 /nfs/dbraw/zinc/02/64/72/175026472.db2.gz UXVOMDBAECHDIZ-GXTWGEPZSA-N 1 0 254.374 2.069 10 0 CEAERO CC[C@H]([NH3+])[C@@H](N(C)Cc1ccco1)C(F)(F)F ZINC000043377208 175030000 /nfs/dbraw/zinc/03/00/00/175030000.db2.gz QXMJYWPYZJPFFA-VHSXEESVSA-N 1 0 250.264 2.380 10 0 CEAERO Cc1ncsc1CCO[C@@H]([C@@H](C)[NH3+])C(F)(F)F ZINC000043384367 175031608 /nfs/dbraw/zinc/03/16/08/175031608.db2.gz HTNWKZQXSINZSY-MUWHJKNJSA-N 1 0 268.304 2.289 10 0 CEAERO Fc1cc(F)cc(-c2noc([C@H]3CCC[NH2+]3)n2)c1 ZINC000043387523 175032984 /nfs/dbraw/zinc/03/29/84/175032984.db2.gz NXOCFYLGQNMPIC-SNVBAGLBSA-N 1 0 251.236 2.439 10 0 CEAERO CC[C@@H](C)[NH2+][C@H](C(N)=O)c1ccc(Cl)c(F)c1 ZINC000043390929 175034001 /nfs/dbraw/zinc/03/40/01/175034001.db2.gz IPYUOFDBXUNGCR-HQJQHLMTSA-N 1 0 258.724 2.394 10 0 CEAERO CC[C@H](C)CN(C)c1nc2c(cc1C(N)=[NH2+])CCC2 ZINC000043406542 175037057 /nfs/dbraw/zinc/03/70/57/175037057.db2.gz TUULZDVIBKAXFG-JTQLQIEISA-N 1 0 260.385 2.337 10 0 CEAERO CCC(CC)N(C)c1nc2c(cc1C(N)=[NH2+])CCC2 ZINC000043406582 175037208 /nfs/dbraw/zinc/03/72/08/175037208.db2.gz JPYHXMPHVQMMHZ-UHFFFAOYSA-N 1 0 260.385 2.479 10 0 CEAERO Cc1ccc(OCCCC(=O)N(C)C)c([C@@H](C)[NH3+])c1 ZINC000043448069 175049242 /nfs/dbraw/zinc/04/92/42/175049242.db2.gz KCUYXEIGKJQPND-GFCCVEGCSA-N 1 0 264.369 2.262 10 0 CEAERO CN(CCc1ccncc1)C[C@H]1[NH2+]CCc2ccccc21 ZINC000043596103 175076756 /nfs/dbraw/zinc/07/67/56/175076756.db2.gz RRGWXDOSDMSUTH-GOSISDBHSA-N 1 0 281.403 2.443 10 0 CEAERO Fc1cccc2c1nc([C@@H]1C[NH2+]CCO1)n2C1CC1 ZINC000043705121 175099178 /nfs/dbraw/zinc/09/91/78/175099178.db2.gz KGOBEDOFSAHPTD-LBPRGKRZSA-N 1 0 261.300 2.171 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2C[C@@H]1N1C[C@@H](C)O[C@@H](C)C1 ZINC000043811513 175110783 /nfs/dbraw/zinc/11/07/83/175110783.db2.gz AGKBVTDEVBSCJZ-UWWPHRKUSA-N 1 0 274.408 2.371 10 0 CEAERO C[NH2+][C@@H](CN1CCCCC1)c1cc(OC)ccc1OC ZINC000043813976 175111846 /nfs/dbraw/zinc/11/18/46/175111846.db2.gz AGLXMZOZBJGKBP-HNNXBMFYSA-N 1 0 278.396 2.450 10 0 CEAERO CC[NH2+][C@H](CN(C)CC)c1ccc(OC)cc1OC ZINC000043820286 175114169 /nfs/dbraw/zinc/11/41/69/175114169.db2.gz QPUYKXXWSBSWIF-CQSZACIVSA-N 1 0 266.385 2.306 10 0 CEAERO CC[NH2+][C@H](CN(C)C1CC1)c1ccc(OC)c(OC)c1 ZINC000043823300 175114447 /nfs/dbraw/zinc/11/44/47/175114447.db2.gz VHEDWHNRKXKNLY-CQSZACIVSA-N 1 0 278.396 2.449 10 0 CEAERO C[NH2+][C@@H](CN(C)Cc1ccncc1)c1ccc(OC)cc1 ZINC000043893855 175118590 /nfs/dbraw/zinc/11/85/90/175118590.db2.gz WKKWJFRKVFJXJW-KRWDZBQOSA-N 1 0 285.391 2.483 10 0 CEAERO C[NH2+][C@H]1c2ccccc2C[C@@H]1N(C)Cc1cccnc1 ZINC000043893464 175118790 /nfs/dbraw/zinc/11/87/90/175118790.db2.gz FGNBVOXCJGDPIS-IRXDYDNUSA-N 1 0 267.376 2.399 10 0 CEAERO CC[NH2+][C@H](CN1CCOC(C)(C)C1)c1ccccc1OC ZINC000043897831 175120492 /nfs/dbraw/zinc/12/04/92/175120492.db2.gz PXEQHAUJCZNMNY-OAHLLOKOSA-N 1 0 292.423 2.457 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2OC[C@H]1N(C)C1CCOCC1 ZINC000043898479 175121456 /nfs/dbraw/zinc/12/14/56/175121456.db2.gz AHKAWXLESDMPEV-WBVHZDCISA-N 1 0 290.407 2.209 10 0 CEAERO C[NH2+][C@H]1c2ccccc2C[C@@H]1N(C)CC(F)(F)F ZINC000043900589 175121683 /nfs/dbraw/zinc/12/16/83/175121683.db2.gz MMDJRQZLRDXAMO-RYUDHWBXSA-N 1 0 258.287 2.366 10 0 CEAERO C[NH2+][C@H]1CCCCC[C@@H]1N(C)CCc1ccncc1 ZINC000043901834 175122208 /nfs/dbraw/zinc/12/22/08/175122208.db2.gz LESLVFHJMCGILG-HOTGVXAUSA-N 1 0 261.413 2.477 10 0 CEAERO CCOC1CCN(C[C@H]([NH2+]C)c2ccccc2)CC1 ZINC000043906856 175122659 /nfs/dbraw/zinc/12/26/59/175122659.db2.gz RMNXFXRMNOPKMI-INIZCTEOSA-N 1 0 262.397 2.448 10 0 CEAERO CC[NH2+][C@@H]1CCOC[C@@H]1N(C)Cc1ccc(F)cc1 ZINC000043911278 175123901 /nfs/dbraw/zinc/12/39/01/175123901.db2.gz CVSTZLVWHRLETG-CABCVRRESA-N 1 0 266.360 2.025 10 0 CEAERO CCC[NH2+][C@H]1CCCCC[C@H]1N(CCOC)CCOC ZINC000043912904 175124335 /nfs/dbraw/zinc/12/43/35/175124335.db2.gz HMEYUYYFRXHLSC-JKSUJKDBSA-N 1 0 286.460 2.282 10 0 CEAERO CC[C@H]1CO[C@@H](C)CN1[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C ZINC000043913802 175124582 /nfs/dbraw/zinc/12/45/82/175124582.db2.gz PYSJQBJZIQHAFP-SDNTUTLCSA-N 1 0 274.408 2.371 10 0 CEAERO C[NH2+][C@@H](CN1CCOCC1(C)C)c1ccc(OC)cc1 ZINC000043916683 175125670 /nfs/dbraw/zinc/12/56/70/175125670.db2.gz QGLOTQROTCYPMG-HNNXBMFYSA-N 1 0 278.396 2.067 10 0 CEAERO C[NH2+][C@@H](CN(C)C[C@@H]1CCCO1)c1ccc(OC)cc1 ZINC000043965833 175127001 /nfs/dbraw/zinc/12/70/01/175127001.db2.gz ZICIGXOBJXALBV-HOTGVXAUSA-N 1 0 278.396 2.067 10 0 CEAERO C[NH2+][C@H](c1ccc(OC)cc1)[C@H](C)N(C)C[C@@H]1CCCO1 ZINC000043965889 175127006 /nfs/dbraw/zinc/12/70/06/175127006.db2.gz LZKGFCTUWIQTGC-JQFCIGGWSA-N 1 0 292.423 2.455 10 0 CEAERO CCOc1ccc([C@@H](CN(C)C[C@@H]2CCCO2)[NH2+]C)cc1 ZINC000043965861 175127193 /nfs/dbraw/zinc/12/71/93/175127193.db2.gz QVKLCQRJWMNSRQ-DLBZAZTESA-N 1 0 292.423 2.457 10 0 CEAERO C[NH2+][C@H]1c2ccccc2C[C@@H]1N(C)C[C@@H]1CCCCO1 ZINC000043966417 175128053 /nfs/dbraw/zinc/12/80/53/175128053.db2.gz BYTQSLSSLOQACS-XIRDDKMYSA-N 1 0 274.408 2.373 10 0 CEAERO C[NH2+][C@H]1CCC2(C[C@H]1N(C)C1CCC(C)CC1)OCCO2 ZINC000043966979 175128064 /nfs/dbraw/zinc/12/80/64/175128064.db2.gz YSEBKTJMSGMWAY-SSHXOBKSSA-N 1 0 296.455 2.381 10 0 CEAERO CCC[C@@H]([NH2+]CC)[C@H](CC)N(C)Cc1cnn(C)c1 ZINC000043967268 175128511 /nfs/dbraw/zinc/12/85/11/175128511.db2.gz XUBUYEPSVCZBPG-CABCVRRESA-N 1 0 266.433 2.409 10 0 CEAERO C[NH2+][C@H]1c2ccccc2CC[C@@H]1N(C)Cc1cnn(C)c1 ZINC000043967204 175128621 /nfs/dbraw/zinc/12/86/21/175128621.db2.gz UCQSVCASSNUUGT-IRXDYDNUSA-N 1 0 284.407 2.127 10 0 CEAERO CCC[NH2+][C@H]1c2ccccc2OC[C@@H]1N(CC)CCOC ZINC000043968808 175129758 /nfs/dbraw/zinc/12/97/58/175129758.db2.gz YIPPNSOTHRWNFY-RDJZCZTQSA-N 1 0 292.423 2.457 10 0 CEAERO C[NH2+][C@@H](c1ccccc1)[C@@H](C)N(CCOC)C1CC1 ZINC000043969615 175130336 /nfs/dbraw/zinc/13/03/36/175130336.db2.gz SKGFLPCKFQMCRY-CZUORRHYSA-N 1 0 262.397 2.446 10 0 CEAERO CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N(CCCOC)CCOC ZINC000043970966 175132043 /nfs/dbraw/zinc/13/20/43/175132043.db2.gz PHVISCQNQQALPJ-OAGGEKHMSA-N 1 0 286.460 2.138 10 0 CEAERO [NH3+]Cc1ccc(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)cc1 ZINC000044673762 175226520 /nfs/dbraw/zinc/22/65/20/175226520.db2.gz ZLLHYTWOYSKHNG-HZPDHXFCSA-N 1 0 266.344 2.431 10 0 CEAERO C[C@@H](Oc1ccc2c(c1)CCC[C@@H]2[NH3+])C(=O)NC1CC1 ZINC000044744932 175241734 /nfs/dbraw/zinc/24/17/34/175241734.db2.gz CGNCFWCKFZVZDC-BMIGLBTASA-N 1 0 274.364 2.069 10 0 CEAERO Cc1cc(NC(=O)C(C)(C)C[NH3+])c2ccccc2n1 ZINC000044751409 175245638 /nfs/dbraw/zinc/24/56/38/175245638.db2.gz LZWYUNPUIDGFJI-UHFFFAOYSA-N 1 0 257.337 2.467 10 0 CEAERO [NH3+]CC1(C(=O)N2CCCC[C@@H]2CCO)CCCCCC1 ZINC000044753579 175245974 /nfs/dbraw/zinc/24/59/74/175245974.db2.gz WCNZFSFSFLIBIZ-CQSZACIVSA-N 1 0 282.428 2.049 10 0 CEAERO CC[C@H]1CO[C@H](C)CN1C(=O)C1(C[NH3+])CCCCCC1 ZINC000044763302 175247235 /nfs/dbraw/zinc/24/72/35/175247235.db2.gz ATTGAEFXCHMALR-KGLIPLIRSA-N 1 0 282.428 2.312 10 0 CEAERO COc1ccccc1NC(=O)[C@@H](C[NH3+])Cc1ccccc1 ZINC000044797568 175254820 /nfs/dbraw/zinc/25/48/20/175254820.db2.gz AVSUBHNSEBTAMY-CQSZACIVSA-N 1 0 284.359 2.451 10 0 CEAERO CCC[C@H](C)N(C)C(=O)[C@H](C[NH3+])Cc1ccccc1 ZINC000044802064 175255495 /nfs/dbraw/zinc/25/54/95/175255495.db2.gz NNEZEQLWFWSNOP-ZFWWWQNUSA-N 1 0 262.397 2.451 10 0 CEAERO C[C@H](NC(=O)[C@@H](C[NH3+])Cc1ccccc1)c1ccncc1 ZINC000044801140 175255569 /nfs/dbraw/zinc/25/55/69/175255569.db2.gz ZXXZBZSTUIDPML-XJKSGUPXSA-N 1 0 283.375 2.076 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)N(C)[C@@H](C)COC ZINC000044805131 175256408 /nfs/dbraw/zinc/25/64/08/175256408.db2.gz QYSHUTVZVSXTOG-LBPRGKRZSA-N 1 0 258.406 2.025 10 0 CEAERO CC[NH2+]CCS(=O)(=O)Nc1ccc2ccccc2c1 ZINC000044881445 175269749 /nfs/dbraw/zinc/26/97/49/175269749.db2.gz HUBMURIYIHXWHM-UHFFFAOYSA-N 1 0 278.377 2.191 10 0 CEAERO C[C@@H](C[NH2+][C@@H](C)C(=O)N1CCCCCC1)N1CCCCC1 ZINC000044993354 175286880 /nfs/dbraw/zinc/28/68/80/175286880.db2.gz CCZHPQSAJIXUAR-HOTGVXAUSA-N 1 0 295.471 2.242 10 0 CEAERO CCC1N=NC(=S)N1C[C@@H](C)[NH+]1CCCCC1 ZINC000045005127 175288192 /nfs/dbraw/zinc/28/81/92/175288192.db2.gz JCIKEOWRCRDNIT-SNVBAGLBSA-N 1 0 254.403 2.004 10 0 CEAERO Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1O ZINC000045010689 175289299 /nfs/dbraw/zinc/28/92/99/175289299.db2.gz UNJMXTLDJDDAPC-CYBMUJFWSA-N 1 0 276.380 2.305 10 0 CEAERO CCN(Cc1cccs1)[C@](C)(C[NH3+])CCOC ZINC000045043495 175295404 /nfs/dbraw/zinc/29/54/04/175295404.db2.gz QEHLPFUVWXOXEY-ZDUSSCGKSA-N 1 0 256.415 2.324 10 0 CEAERO CCOC(=O)[C@@](C)(CCOC)NCc1ccccc1 ZINC000045044164 175295517 /nfs/dbraw/zinc/29/55/17/175295517.db2.gz FUAVQGQHHBLWKV-OAHLLOKOSA-N 1 0 265.353 2.135 10 0 CEAERO CC(C)Cc1ccc([C@H](C)[NH2+]CCCS(N)(=O)=O)cc1 ZINC000045066801 175299965 /nfs/dbraw/zinc/29/99/65/175299965.db2.gz ABBYTGVPXIUPAO-ZDUSSCGKSA-N 1 0 298.452 2.214 10 0 CEAERO Cn1cc([C@@H](CN)[N@@H+]2CCC[C@@H]2C2CCCC2)cn1 ZINC000045067048 175300088 /nfs/dbraw/zinc/30/00/88/175300088.db2.gz XKHWBPBAMPTGQK-HUUCEWRRSA-N 1 0 262.401 2.075 10 0 CEAERO CC[NH2+][C@@H]1CCC2(C[C@H]1N(C)CC(C)(C)C)OCCO2 ZINC000045072719 175301879 /nfs/dbraw/zinc/30/18/79/175301879.db2.gz FPQYFEBVRZSDHY-ZIAGYGMSSA-N 1 0 284.444 2.238 10 0 CEAERO O=C([C@H]1CCCC[NH2+]1)N1CCC[C@@H]1C1CCCC1 ZINC000045088283 175304071 /nfs/dbraw/zinc/30/40/71/175304071.db2.gz RIDPXMVTWJXVAR-ZIAGYGMSSA-N 1 0 250.386 2.310 10 0 CEAERO CC1(C)C[C@H]1NS(=O)(=O)c1ccc(C[NH2+]C2CC2)cc1 ZINC000045138396 175314444 /nfs/dbraw/zinc/31/44/44/175314444.db2.gz JIFOJUCEHUUDDL-CQSZACIVSA-N 1 0 294.420 2.015 10 0 CEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N[C@@H]2CC2(C)C)cc1 ZINC000045138403 175314688 /nfs/dbraw/zinc/31/46/88/175314688.db2.gz MFQQPZWHAAKTLO-CQSZACIVSA-N 1 0 296.436 2.263 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)[NH2+][C@@H](C)C(=O)N1CCCCC1 ZINC000045171780 175321047 /nfs/dbraw/zinc/32/10/47/175321047.db2.gz KOMYYBGBODCSDZ-YPMHNXCESA-N 1 0 292.427 2.089 10 0 CEAERO CCCC[N@H+](C)CC[C@@](C)(NCCC)C(=O)OCC ZINC000045222217 175330535 /nfs/dbraw/zinc/33/05/35/175330535.db2.gz NITCERGHOQKVLB-OAHLLOKOSA-N 1 0 272.433 2.430 10 0 CEAERO CC[NH+](CC)C[C@@](NC1CC1)(C(=O)OC)c1ccccc1 ZINC000045226535 175333310 /nfs/dbraw/zinc/33/33/10/175333310.db2.gz VDMVROROEBMXLV-KRWDZBQOSA-N 1 0 290.407 2.149 10 0 CEAERO CCN[C@@](C[NH+]1CCCCC1)(C(=O)OC)c1ccccc1 ZINC000045229818 175334477 /nfs/dbraw/zinc/33/44/77/175334477.db2.gz DVDVKEHMOYTTJT-QGZVFWFLSA-N 1 0 290.407 2.150 10 0 CEAERO CCOC(=O)[C@](C)(CC[N@H+](C)CC(C)C)NC1CC1 ZINC000045263720 175337502 /nfs/dbraw/zinc/33/75/02/175337502.db2.gz RIFAGLBRJMKJRM-HNNXBMFYSA-N 1 0 270.417 2.038 10 0 CEAERO CCC[N@H+](CC)CC[C@](C)(NC(C)C)C(=O)OCC ZINC000045267721 175339660 /nfs/dbraw/zinc/33/96/60/175339660.db2.gz JIRQJSJXUBSWSX-HNNXBMFYSA-N 1 0 272.433 2.428 10 0 CEAERO CCC[N@H+](CC[C@](C)(NCC)C(=O)OCC)C1CC1 ZINC000045267995 175339827 /nfs/dbraw/zinc/33/98/27/175339827.db2.gz WRWGXCLZSZMGQG-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CCCCC[N@H+](C)C[C@@](C)(NCCC)C(=O)OC ZINC000045268147 175340428 /nfs/dbraw/zinc/34/04/28/175340428.db2.gz KWOGMXYTNTUNNF-CQSZACIVSA-N 1 0 258.406 2.040 10 0 CEAERO CCN[C@](C)(CC[N@H+](C)[C@@H](C)C1CC1)C(=O)OCC ZINC000045270340 175341170 /nfs/dbraw/zinc/34/11/70/175341170.db2.gz ASGNLXVHHLOMCI-SWLSCSKDSA-N 1 0 270.417 2.038 10 0 CEAERO CCC(CC)[N@H+](C)CC[C@@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045269695 175341279 /nfs/dbraw/zinc/34/12/79/175341279.db2.gz ATCXMXBRQSYLIX-CQSZACIVSA-N 1 0 258.406 2.338 10 0 CEAERO CCCN[C@@](C)(CC[N@H+](C)[C@@H](C)C1CC1)C(=O)OC ZINC000045270346 175341726 /nfs/dbraw/zinc/34/17/26/175341726.db2.gz NRBFULPXTIBJQY-WFASDCNBSA-N 1 0 270.417 2.038 10 0 CEAERO CN[C@](C)(CC[N@H+](C)C1CCCCCC1)C(=O)OC ZINC000045271981 175342246 /nfs/dbraw/zinc/34/22/46/175342246.db2.gz XWYJKXXWQXEGCW-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CCOC(=O)[C@](C)(C[N@@H+]1CCC[C@@H](CC)C1)NC1CC1 ZINC000045270489 175342493 /nfs/dbraw/zinc/34/24/93/175342493.db2.gz QFKGFKVDOKNDGB-CJNGLKHVSA-N 1 0 282.428 2.182 10 0 CEAERO COC(=O)[C@](C)(C[N@H+](C)[C@@H](C)C(C)(C)C)NC(C)C ZINC000045274736 175344778 /nfs/dbraw/zinc/34/47/78/175344778.db2.gz YLKGVRVBGRYAMP-WFASDCNBSA-N 1 0 272.433 2.283 10 0 CEAERO CCCC[N@H+](C[C@](C)(NC1CC1)C(=O)OCC)C1CC1 ZINC000045276284 175346278 /nfs/dbraw/zinc/34/62/78/175346278.db2.gz FGPWEYKQPPJXTC-INIZCTEOSA-N 1 0 282.428 2.325 10 0 CEAERO CCCN[C@@](C)(C[N@H+](CC(C)C)C1CC1)C(=O)OC ZINC000045277497 175347456 /nfs/dbraw/zinc/34/74/56/175347456.db2.gz CZOUXZHNSKBKMQ-HNNXBMFYSA-N 1 0 270.417 2.038 10 0 CEAERO CCN[C@](C)(CC[N@H+](C)CC(C)(C)C)C(=O)OCC ZINC000045279382 175349379 /nfs/dbraw/zinc/34/93/79/175349379.db2.gz OYJNQIVCUGAJHK-OAHLLOKOSA-N 1 0 272.433 2.286 10 0 CEAERO CC(C)[NH2+][C@](C)(CC[N@H+](C)CC(C)(C)C)C(=O)[O-] ZINC000045279364 175349628 /nfs/dbraw/zinc/34/96/28/175349628.db2.gz ZMTRKGVJUSGLDT-CQSZACIVSA-N 1 0 258.406 2.196 10 0 CEAERO CCOC(=O)[C@](C)(CC[N@H+](C)C1CCC(C)CC1)NC ZINC000045280602 175349862 /nfs/dbraw/zinc/34/98/62/175349862.db2.gz FGAHSEJKXOKGRM-XUJLQICISA-N 1 0 284.444 2.428 10 0 CEAERO CCC1CCC([N@H+](C)CC[C@](C)([NH2+]C)C(=O)[O-])CC1 ZINC000045281126 175351586 /nfs/dbraw/zinc/35/15/86/175351586.db2.gz GVVPZLSETHUFLJ-PIMMBPRGSA-N 1 0 270.417 2.340 10 0 CEAERO CCN[C@](C)(CC[N@H+](C)CCC(C)C)C(=O)OCC ZINC000045281292 175352081 /nfs/dbraw/zinc/35/20/81/175352081.db2.gz YCSVISYNXKOJJV-OAHLLOKOSA-N 1 0 272.433 2.286 10 0 CEAERO CCCC[N@H+](CC[C@@](C)(N)C(=O)OC)[C@@H](C)CC ZINC000045282621 175352633 /nfs/dbraw/zinc/35/26/33/175352633.db2.gz OILOKAPRDHTHDF-GXTWGEPZSA-N 1 0 258.406 2.168 10 0 CEAERO COC(=O)[C@H](N)C[NH+](C1CCCCC1)C1CCCCC1 ZINC000045369208 175363955 /nfs/dbraw/zinc/36/39/55/175363955.db2.gz BMPGNGSZGTYGGT-OAHLLOKOSA-N 1 0 282.428 2.454 10 0 CEAERO CCN[C@@](C)(CCC[NH+]1CCC(C)CC1)C(=O)OC ZINC000045374960 175365760 /nfs/dbraw/zinc/36/57/60/175365760.db2.gz NHDMAAAIRVJUQI-HNNXBMFYSA-N 1 0 270.417 2.040 10 0 CEAERO CC(C)[NH2+][C@@](C)(CCC[NH+]1CCC(C)CC1)C(=O)[O-] ZINC000045374897 175365872 /nfs/dbraw/zinc/36/58/72/175365872.db2.gz DBYDFLXAOMHJGM-HNNXBMFYSA-N 1 0 270.417 2.340 10 0 CEAERO CCOC(=O)[C@@](C)(CCC[NH+](CC)CC)NC1CC1 ZINC000045375955 175366598 /nfs/dbraw/zinc/36/65/98/175366598.db2.gz DZTOQNLOROKLDK-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO C[C@@H]1CCC[C@H](C)[N@H+]1CCCC[C@](C)([NH3+])C(=O)[O-] ZINC000045379367 175368374 /nfs/dbraw/zinc/36/83/74/175368374.db2.gz SYFRJBSBSDNQFB-SCRDCRAPSA-N 1 0 256.390 2.222 10 0 CEAERO CCC[N@H+](C)CCCC[C@@](C)(NCC)C(=O)OC ZINC000045382172 175369608 /nfs/dbraw/zinc/36/96/08/175369608.db2.gz ZIDYOBTZGCAHBS-CQSZACIVSA-N 1 0 258.406 2.040 10 0 CEAERO COC(=O)[C@@](C)(CCC[N@H+](C)CC(C)C)NC(C)C ZINC000045381035 175370305 /nfs/dbraw/zinc/37/03/05/175370305.db2.gz DAORWEPAYICZPH-OAHLLOKOSA-N 1 0 272.433 2.284 10 0 CEAERO CCOC(=O)[C@](C)(CCC[N@H+](C)C1CCCC1)NC ZINC000045384846 175371789 /nfs/dbraw/zinc/37/17/89/175371789.db2.gz GURVWOSPBREASL-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CCC(CC)[N@H+](C)CCCC[C@@](C)(NC)C(=O)OC ZINC000045391418 175375126 /nfs/dbraw/zinc/37/51/26/175375126.db2.gz OVNOVQSWVZNVBN-OAHLLOKOSA-N 1 0 272.433 2.428 10 0 CEAERO CCN[C@@](C)(CCC[N@H+](C)[C@@H](C)C1CC1)C(=O)OC ZINC000045393010 175375728 /nfs/dbraw/zinc/37/57/28/175375728.db2.gz UYYYBGYZBFAPGV-WFASDCNBSA-N 1 0 270.417 2.038 10 0 CEAERO CCCC[N@H+](C[C@H](NC(C)C)C(=O)OCC)C1CC1 ZINC000045421709 175379763 /nfs/dbraw/zinc/37/97/63/175379763.db2.gz MOUDIVIFVPNGCY-AWEZNQCLSA-N 1 0 270.417 2.181 10 0 CEAERO CCc1cc(N2CC[C@@H]([NH3+])C2)nc(Nc2ccccc2)n1 ZINC000045947938 175388459 /nfs/dbraw/zinc/38/84/59/175388459.db2.gz TZEBRRAMEOUUPW-GFCCVEGCSA-N 1 0 283.379 2.320 10 0 CEAERO Cc1cc(N2CCC[NH2+]CC2)nc(Nc2ccccc2)n1 ZINC000045947766 175388475 /nfs/dbraw/zinc/38/84/75/175388475.db2.gz GYBWHJSECZEOID-UHFFFAOYSA-N 1 0 283.379 2.328 10 0 CEAERO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)C1CCC(F)(F)CC1 ZINC000658238475 415270573 /nfs/dbraw/zinc/27/05/73/415270573.db2.gz HHNZAUZKWMPGMD-MNOVXSKESA-N 1 0 274.355 2.268 10 0 CEAERO CC(C)CC[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)C1CC1 ZINC000658239836 415273269 /nfs/dbraw/zinc/27/32/69/415273269.db2.gz FVFOSTMZPZHMRP-GXTWGEPZSA-N 1 0 252.402 2.269 10 0 CEAERO CCC[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)[C@H]1CC1(C)C ZINC000658240740 415273567 /nfs/dbraw/zinc/27/35/67/415273567.db2.gz JFSFMMPDHGEIRY-UPJWGTAASA-N 1 0 252.402 2.269 10 0 CEAERO CCC[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)C1CCCC1 ZINC000658239878 415273813 /nfs/dbraw/zinc/27/38/13/415273813.db2.gz GXHBTLHCAATFNF-GXTWGEPZSA-N 1 0 252.402 2.413 10 0 CEAERO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)C1CCCCCC1 ZINC000658241632 415274984 /nfs/dbraw/zinc/27/49/84/415274984.db2.gz YNIILWFPZNFPAU-OLZOCXBDSA-N 1 0 252.402 2.413 10 0 CEAERO Cc1cc([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(C)C2)c(C)s1 ZINC000658244923 415280161 /nfs/dbraw/zinc/28/01/61/415280161.db2.gz NXUVEEYAUUSFLN-PWSUYJOCSA-N 1 0 266.410 2.494 10 0 CEAERO CN1CCC[C@@H]([N@H+](C)[C@@H]2CCc3ccccc3[C@@H]2O)C1 ZINC000053247750 175545770 /nfs/dbraw/zinc/54/57/70/175545770.db2.gz RTJVSIOJULIJTF-OIISXLGYSA-N 1 0 274.408 2.061 10 0 CEAERO C[C@@H](NC(=O)[C@H]1CCC[NH2+]C1)C1CCC(F)(F)CC1 ZINC000655525657 415327795 /nfs/dbraw/zinc/32/77/95/415327795.db2.gz JZYDTQINAATNHO-PWSUYJOCSA-N 1 0 274.355 2.316 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1cccc2cccnc21 ZINC000061883746 175657271 /nfs/dbraw/zinc/65/72/71/175657271.db2.gz YXHZCNWGNFDWNN-GXTWGEPZSA-N 1 0 269.348 2.092 10 0 CEAERO CC(C)(C)C(=[NH2+])NCc1ccc(S(C)(=O)=O)cc1 ZINC000062993010 175680266 /nfs/dbraw/zinc/68/02/66/175680266.db2.gz LHRJTYWRLRGYFX-UHFFFAOYSA-N 1 0 268.382 2.203 10 0 CEAERO CO[C@H](CNC(=O)C[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000659381732 415551796 /nfs/dbraw/zinc/55/17/96/415551796.db2.gz FRVGONHOPSMEAA-DZGCQCFKSA-N 1 0 282.428 2.088 10 0 CEAERO CO[C@H](CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000659385143 415555150 /nfs/dbraw/zinc/55/51/50/415555150.db2.gz VIXZCPOAEIZKLL-RRFJBIMHSA-N 1 0 282.428 2.215 10 0 CEAERO CC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000659385733 415555859 /nfs/dbraw/zinc/55/58/59/415555859.db2.gz ZDGYJJALAHNIOR-YEKKKDRXSA-N 1 0 250.386 2.293 10 0 CEAERO Cc1n[nH]cc1CCC[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000070360865 175889592 /nfs/dbraw/zinc/88/95/92/175889592.db2.gz SCVBOAIJSWQTQE-LSDHHAIUSA-N 1 0 265.401 2.444 10 0 CEAERO CCC[C@H]1C[C@@]([NH2+]Cc2cccs2)(C(N)=O)CCO1 ZINC000070367748 175897479 /nfs/dbraw/zinc/89/74/79/175897479.db2.gz SDWTZMGVMUTDTG-SMDDNHRTSA-N 1 0 282.409 2.041 10 0 CEAERO CCC[NH2+][C@](C)(CO)CCOc1c(OC)cccc1OC ZINC000070517881 175966030 /nfs/dbraw/zinc/96/60/30/175966030.db2.gz AGMKPTAWSWVZFK-INIZCTEOSA-N 1 0 297.395 2.223 10 0 CEAERO CC[NH2+][C@@](C)(CO)C[C@H](C)OCCOc1ccccc1 ZINC000070517516 175966119 /nfs/dbraw/zinc/96/61/19/175966119.db2.gz HWPXIBSOQMDOKR-GOEBONIOSA-N 1 0 281.396 2.221 10 0 CEAERO CC[NH2+][C@](C)(CO)COc1cccc2ccc(C)nc21 ZINC000070519462 175966422 /nfs/dbraw/zinc/96/64/22/175966422.db2.gz WCTXEINVHOZXNG-MRXNPFEDSA-N 1 0 274.364 2.283 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)CSc1ncnc2ccccc21 ZINC000070521028 175966551 /nfs/dbraw/zinc/96/65/51/175966551.db2.gz HGMCUJXRGDHYMP-OAHLLOKOSA-N 1 0 291.420 2.471 10 0 CEAERO CCC[NH2+][C@](CO)(CSc1nc(C)cc(C)n1)C1CC1 ZINC000070519950 175966624 /nfs/dbraw/zinc/96/66/24/175966624.db2.gz GLAQZAAVZDONCK-OAHLLOKOSA-N 1 0 295.452 2.326 10 0 CEAERO C[C@@H](C[NH2+]C(C)(C)C)Cn1cnc2sccc2c1=O ZINC000070526711 175970939 /nfs/dbraw/zinc/97/09/39/175970939.db2.gz WHDLJCJHDWGWAM-JTQLQIEISA-N 1 0 279.409 2.482 10 0 CEAERO CC(C)[NH2+]C[C@@H](C)Cn1ncc2ccccc2c1=O ZINC000070526613 175971143 /nfs/dbraw/zinc/97/11/43/175971143.db2.gz ITUAOFNHJTXRQH-GFCCVEGCSA-N 1 0 259.353 2.031 10 0 CEAERO [NH3+][C@@H](CC[C@H]1CCCCO1)c1ccc2c(c1)C(=O)NCC2 ZINC000070544617 175978738 /nfs/dbraw/zinc/97/87/38/175978738.db2.gz XWASXAIVRFOUFN-ZBFHGGJFSA-N 1 0 288.391 2.322 10 0 CEAERO [NH3+]CCc1ccccc1C(=O)NCc1ccc(F)cc1F ZINC000070552919 175981938 /nfs/dbraw/zinc/98/19/38/175981938.db2.gz YXUVVKAWJYSMIP-UHFFFAOYSA-N 1 0 290.313 2.396 10 0 CEAERO COc1ccc(Br)cc1[C@@H]1OCC[C@H]1C[NH3+] ZINC000070674109 176000609 /nfs/dbraw/zinc/00/06/09/176000609.db2.gz TUVSEPNVKCYTJJ-QPUJVOFHSA-N 1 0 286.169 2.494 10 0 CEAERO [NH3+]Cc1csc(N(CC(F)(F)F)C2CC2)n1 ZINC000070682267 176001390 /nfs/dbraw/zinc/00/13/90/176001390.db2.gz FOBXTWKYAOXSKJ-UHFFFAOYSA-N 1 0 251.277 2.133 10 0 CEAERO NNc1ccc(Cl)c(CN(CC2CC2)C2CC2)[nH+]1 ZINC000070737033 176004314 /nfs/dbraw/zinc/00/43/14/176004314.db2.gz AVNHLHGOUXNHQR-UHFFFAOYSA-N 1 0 266.776 2.395 10 0 CEAERO C[C@@H]([NH3+])c1csc(N2C[C@@H](C)S[C@@H](C)C2)n1 ZINC000070846594 176008723 /nfs/dbraw/zinc/00/87/23/176008723.db2.gz JEOLQBSKPPSWSR-HRDYMLBCSA-N 1 0 257.428 2.493 10 0 CEAERO Cc1ccc(S(=O)(=O)N(CC[NH3+])C2CCCC2)c(C)c1 ZINC000070975341 176017958 /nfs/dbraw/zinc/01/79/58/176017958.db2.gz NHJIOHSTSPCBOG-UHFFFAOYSA-N 1 0 296.436 2.195 10 0 CEAERO [NH3+][C@H]1CCC(=O)N(C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000070987221 176018403 /nfs/dbraw/zinc/01/84/03/176018403.db2.gz GYHKJSJDZFKJOU-GXTWGEPZSA-N 1 0 266.291 2.118 10 0 CEAERO [NH3+][C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1cc(F)ccc1F ZINC000070987357 176018408 /nfs/dbraw/zinc/01/84/08/176018408.db2.gz ROZAQEGUJDQPLC-TZMCWYRMSA-N 1 0 266.291 2.118 10 0 CEAERO Cc1cccc([C@@H]2[C@H]([NH3+])CCC(=O)N2C2CC2)c1C ZINC000070987516 176018588 /nfs/dbraw/zinc/01/85/88/176018588.db2.gz PVLULRGCAKAZKF-GDBMZVCRSA-N 1 0 258.365 2.457 10 0 CEAERO Nc1cc(N)[nH+]c(SC[C@@H]2OCCc3ccccc32)n1 ZINC000071030710 176021898 /nfs/dbraw/zinc/02/18/98/176021898.db2.gz YXHUQXRJUCDKKO-NSHDSACASA-N 1 0 288.376 2.047 10 0 CEAERO C[C@@H](Cc1ccc(F)cc1)N1CC[C@H]([NH2+]C2CC2)C1=O ZINC000071031261 176022730 /nfs/dbraw/zinc/02/27/30/176022730.db2.gz SJZOZMRXHPRTCO-NHYWBVRUSA-N 1 0 276.355 2.110 10 0 CEAERO CC[NH2+][C@H]1CCCN(C[C@H]2CCCC[C@@H]2C)C1=O ZINC000071031605 176023025 /nfs/dbraw/zinc/02/30/25/176023025.db2.gz ADJCTEOUMFEHDY-MJBXVCDLSA-N 1 0 252.402 2.413 10 0 CEAERO CC[NH2+][C@H]1CCN(c2cccc3ccc(C)nc32)C1=O ZINC000071031462 176023227 /nfs/dbraw/zinc/02/32/27/176023227.db2.gz OIJNZJQMPDIDCF-ZDUSSCGKSA-N 1 0 269.348 2.258 10 0 CEAERO CCC[NH2+][C@@H]1CCN(c2nc(C(C)C)cs2)C1=O ZINC000071033797 176024420 /nfs/dbraw/zinc/02/44/20/176024420.db2.gz OCIDHIBBXYNCNI-SNVBAGLBSA-N 1 0 267.398 2.371 10 0 CEAERO CC(C)[NH2+][C@H]1CCN([C@H](C)Cc2ccsc2)C1=O ZINC000071035404 176025500 /nfs/dbraw/zinc/02/55/00/176025500.db2.gz YISUKLLPLUWVQX-YPMHNXCESA-N 1 0 266.410 2.278 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN([C@H](C)Cc2ccsc2)C1=O ZINC000071035402 176025649 /nfs/dbraw/zinc/02/56/49/176025649.db2.gz YISUKLLPLUWVQX-DGCLKSJQSA-N 1 0 266.410 2.278 10 0 CEAERO CC[NH2+][C@@H]1CCCN(Cc2ccccc2Cl)C1=O ZINC000071037831 176026375 /nfs/dbraw/zinc/02/63/75/176026375.db2.gz ONZXMDZTBWTNHU-CYBMUJFWSA-N 1 0 266.772 2.441 10 0 CEAERO CCC[NH2+][C@H]1CCCN(CCc2ccccc2F)C1=O ZINC000071038344 176027156 /nfs/dbraw/zinc/02/71/56/176027156.db2.gz XULSPLALQIGMRJ-HNNXBMFYSA-N 1 0 278.371 2.359 10 0 CEAERO CCC[NH2+][C@@H]1CCCN(Cc2cccs2)C1=O ZINC000071039667 176027294 /nfs/dbraw/zinc/02/72/94/176027294.db2.gz JVRJFXJVSWCBEP-GFCCVEGCSA-N 1 0 252.383 2.239 10 0 CEAERO C[NH2+][C@H]1CCCN(Cc2cccc(Cl)c2)C1=O ZINC000071042473 176028414 /nfs/dbraw/zinc/02/84/14/176028414.db2.gz UFCJOUFIEDHBMQ-LBPRGKRZSA-N 1 0 252.745 2.050 10 0 CEAERO CCC[NH2+][C@H]1CCCN(c2ccc(OC)cc2C)C1=O ZINC000071042623 176028652 /nfs/dbraw/zinc/02/86/52/176028652.db2.gz JXJGJFIJFVKNQF-AWEZNQCLSA-N 1 0 276.380 2.499 10 0 CEAERO CC(C)[NH2+][C@H]1CCN([C@H](C)c2ccsc2)C1=O ZINC000071042806 176029064 /nfs/dbraw/zinc/02/90/64/176029064.db2.gz ZOTQWIZBJQTYJV-PWSUYJOCSA-N 1 0 252.383 2.408 10 0 CEAERO CC(C)[NH2+][C@H]1CCN(CCCOc2ccccc2)C1=O ZINC000071043198 176029379 /nfs/dbraw/zinc/02/93/79/176029379.db2.gz KSSONHCNUVDJEJ-HNNXBMFYSA-N 1 0 276.380 2.054 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN(c2cc(F)cc(F)c2F)C1=O ZINC000071042845 176029442 /nfs/dbraw/zinc/02/94/42/176029442.db2.gz HIAYPOJHWCLZRA-SNVBAGLBSA-N 1 0 272.270 2.207 10 0 CEAERO CC(C)C[C@@H](CO)[NH2+]C[C@H]1OCCc2ccccc21 ZINC000071090798 176031558 /nfs/dbraw/zinc/03/15/58/176031558.db2.gz OEHRJUNRRICTSL-GOEBONIOSA-N 1 0 263.381 2.297 10 0 CEAERO CC[C@H]([NH3+])Cc1nccn1Cc1ccc(OC)cc1 ZINC000071139266 176037621 /nfs/dbraw/zinc/03/76/21/176037621.db2.gz WNALJGWYAPFBBH-ZDUSSCGKSA-N 1 0 259.353 2.220 10 0 CEAERO CN(CCN1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000071151091 176045416 /nfs/dbraw/zinc/04/54/16/176045416.db2.gz CNYQHYJDODODLP-UHFFFAOYSA-N 1 0 287.329 2.047 10 0 CEAERO CCOC(=O)[C@@]1(NCC[NH+](C)C)CCCC[C@@H]1CC ZINC000071162795 176046926 /nfs/dbraw/zinc/04/69/26/176046926.db2.gz NBPQENWCZSGOBJ-DZGCQCFKSA-N 1 0 270.417 2.040 10 0 CEAERO CC1(C)Cc2cccc(Oc3cnc(C[NH3+])cn3)c2O1 ZINC000071178258 176055735 /nfs/dbraw/zinc/05/57/35/176055735.db2.gz ORGAKWSQEGTKGP-UHFFFAOYSA-N 1 0 271.320 2.441 10 0 CEAERO CN1CC[C@H](Oc2cccc(C[NH2+]C(C)(C)C)c2)C1=O ZINC000071183169 176058374 /nfs/dbraw/zinc/05/83/74/176058374.db2.gz ZIIWSOFTATWMBC-AWEZNQCLSA-N 1 0 276.380 2.184 10 0 CEAERO CC(C)C[NH2+]Cc1ccc(O[C@H]2CCN(C)C2=O)cc1 ZINC000071183141 176058617 /nfs/dbraw/zinc/05/86/17/176058617.db2.gz XOSZLZPSLYDXMU-HNNXBMFYSA-N 1 0 276.380 2.042 10 0 CEAERO CN(C[C@H]1CC[N@H+](C)C1)c1ccc(N)c2cnccc21 ZINC000071188496 176062907 /nfs/dbraw/zinc/06/29/07/176062907.db2.gz LJAKVBPUNBMEGD-LBPRGKRZSA-N 1 0 270.380 2.205 10 0 CEAERO CC(=O)c1cc(F)ccc1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189370 176064267 /nfs/dbraw/zinc/06/42/67/176064267.db2.gz UPHBWTGUMNQSMG-GFCCVEGCSA-N 1 0 264.344 2.416 10 0 CEAERO Cc1ccc(C(=O)CN(C)C[C@H]2CC[N@H+](C)C2)cc1 ZINC000071189814 176065259 /nfs/dbraw/zinc/06/52/59/176065259.db2.gz NKOLUQAEMXFGKN-AWEZNQCLSA-N 1 0 260.381 2.061 10 0 CEAERO CN1CC[C@H](C[N@H+](C)CCC(=O)c2ccc(F)cc2)C1 ZINC000071189853 176065943 /nfs/dbraw/zinc/06/59/43/176065943.db2.gz PCGKUXKFTDNTSQ-ZDUSSCGKSA-N 1 0 278.371 2.282 10 0 CEAERO COc1ccc(CN2CCC[C@H]([NH2+]C3CC3)C2)cc1 ZINC000071197919 176076651 /nfs/dbraw/zinc/07/66/51/176076651.db2.gz NDJJGMBPALARAT-HNNXBMFYSA-N 1 0 260.381 2.412 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN(CCc2ccc3c(c2)OCCO3)C1 ZINC000071198079 176076707 /nfs/dbraw/zinc/07/67/07/176076707.db2.gz WMTUVGZDWUPTKP-OAHLLOKOSA-N 1 0 290.407 2.073 10 0 CEAERO Cc1ncsc1CN1CCC[C@@H]([NH2+]C2CC2)C1 ZINC000071199876 176077379 /nfs/dbraw/zinc/07/73/79/176077379.db2.gz TYRCMOUPRZUYTL-GFCCVEGCSA-N 1 0 251.399 2.168 10 0 CEAERO COc1cc(F)ccc1N1CC[C@@H]([NH2+]C(C)C)C1 ZINC000071200906 176077646 /nfs/dbraw/zinc/07/76/46/176077646.db2.gz SSLOEMZYUIGPNU-GFCCVEGCSA-N 1 0 252.333 2.411 10 0 CEAERO CCOC(=O)c1ncsc1N[C@@H](C)C[NH+]1CCCC1 ZINC000071202076 176078073 /nfs/dbraw/zinc/07/80/73/176078073.db2.gz VCUVHVMKRYCGGH-JTQLQIEISA-N 1 0 283.397 2.216 10 0 CEAERO Cc1ncsc1CNC[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000071213756 176085259 /nfs/dbraw/zinc/08/52/59/176085259.db2.gz BBBWZHDYTRNZHS-AGIUHOORSA-N 1 0 265.426 2.462 10 0 CEAERO Cc1ncsc1CNC[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000071213754 176085290 /nfs/dbraw/zinc/08/52/90/176085290.db2.gz BBBWZHDYTRNZHS-AVGNSLFASA-N 1 0 265.426 2.462 10 0 CEAERO COCCN(CCC[NH3+])c1ncnc2sc(C)c(C)c21 ZINC000071223866 176088424 /nfs/dbraw/zinc/08/84/24/176088424.db2.gz FOUHQHYJTUVCEX-UHFFFAOYSA-N 1 0 294.424 2.110 10 0 CEAERO CC(C)(C)OC(=O)N1CCCC[C@H]2CC[NH2+]C[C@H]21 ZINC000071257583 176095994 /nfs/dbraw/zinc/09/59/94/176095994.db2.gz SCYXEFDQDRMNIJ-NWDGAFQWSA-N 1 0 254.374 2.386 10 0 CEAERO C[C@@H](Cn1cccn1)N1Cc2ccc(F)cc2C1=[NH2+] ZINC000071268859 176102146 /nfs/dbraw/zinc/10/21/46/176102146.db2.gz QKKYDOBKJKEBOE-JTQLQIEISA-N 1 0 258.300 2.252 10 0 CEAERO CCOC(=O)CCCCC[N@H+](CCO)C1CCCC1 ZINC000071293248 176111296 /nfs/dbraw/zinc/11/12/96/176111296.db2.gz XOLILHZKXQJVQX-UHFFFAOYSA-N 1 0 271.401 2.347 10 0 CEAERO CCOC(=O)CCCCC[N@H+](CC)CCC(N)=S ZINC000071297624 176112371 /nfs/dbraw/zinc/11/23/71/176112371.db2.gz HGNHREKTOSEXHB-UHFFFAOYSA-N 1 0 274.430 2.108 10 0 CEAERO CCN(C(=O)c1ccc2ncccc2c1)[C@@H]1CC[NH2+]C1 ZINC000071312475 176119387 /nfs/dbraw/zinc/11/93/87/176119387.db2.gz ZVVIFIDALBXDHJ-CQSZACIVSA-N 1 0 269.348 2.059 10 0 CEAERO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(C)cc(C)c1 ZINC000071330547 176124383 /nfs/dbraw/zinc/12/43/83/176124383.db2.gz YXGFNOFOQXITFJ-CQSZACIVSA-N 1 0 296.436 2.066 10 0 CEAERO CCC[N@@H+]1CCC[C@@H]([C@@H](C)NCc2ccnn2C)C1 ZINC000071333315 176126152 /nfs/dbraw/zinc/12/61/52/176126152.db2.gz ZHUYSAGUVCPVNP-ZIAGYGMSSA-N 1 0 264.417 2.020 10 0 CEAERO CC(C)COCCC[NH2+]C1CN(C(=O)OC(C)(C)C)C1 ZINC000071335421 176127238 /nfs/dbraw/zinc/12/72/38/176127238.db2.gz XGNZYOUZUPYGAA-UHFFFAOYSA-N 1 0 286.416 2.258 10 0 CEAERO C[C@@H]1CCC[NH2+][C@@H]1CNC(=O)c1ccc(F)cc1F ZINC000071338524 176128717 /nfs/dbraw/zinc/12/87/17/176128717.db2.gz HGHASIRVDRYBHV-NOZJJQNGSA-N 1 0 268.307 2.083 10 0 CEAERO C[C@@H]1CCC[NH2+][C@H]1CNC(=O)Nc1cccc(F)c1 ZINC000071338981 176129531 /nfs/dbraw/zinc/12/95/31/176129531.db2.gz VKWJOTQZIZKVMJ-MFKMUULPSA-N 1 0 265.332 2.335 10 0 CEAERO C[C@@H]1CCC[NH2+][C@@H]1CN1C(=O)CC2(CCCCCC2)C1=O ZINC000071339243 176129562 /nfs/dbraw/zinc/12/95/62/176129562.db2.gz ZWZLDYACRGGDAR-ZIAGYGMSSA-N 1 0 292.423 2.474 10 0 CEAERO CC[C@H](C)[C@@H]1CN[C@@H](CC)C[N@@H+]1CCn1ccnc1C ZINC000071343808 176130727 /nfs/dbraw/zinc/13/07/27/176130727.db2.gz GMEFQUDVHFDIDS-BPUTZDHNSA-N 1 0 278.444 2.290 10 0 CEAERO CC[C@@H]1CN(Cc2ncccn2)[C@H](c2ccccc2)C[NH2+]1 ZINC000071344407 176130947 /nfs/dbraw/zinc/13/09/47/176130947.db2.gz VFIXCRJXCVZPON-CVEARBPZSA-N 1 0 282.391 2.402 10 0 CEAERO CC[C@@]1(C)C[NH2+]C(C)(C)CN1Cc1cccc(OC)n1 ZINC000071343130 176131240 /nfs/dbraw/zinc/13/12/40/176131240.db2.gz ARNNPVAQTJXETI-INIZCTEOSA-N 1 0 277.412 2.443 10 0 CEAERO C[C@H]1C[NH2+][C@@H](Cc2ccccc2)CN1Cc1ccccn1 ZINC000071352528 176135648 /nfs/dbraw/zinc/13/56/48/176135648.db2.gz NQSORYKMRXALJV-YJBOKZPZSA-N 1 0 281.403 2.487 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(Cc2ncccn2)[C@H](C2CC2)C[NH2+]1 ZINC000071355296 176136702 /nfs/dbraw/zinc/13/67/02/176136702.db2.gz HFZVTEMFTSAJFZ-SNPRPXQTSA-N 1 0 274.412 2.075 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(CCn2cccn2)[C@H](C(C)C)C[NH2+]1 ZINC000071354826 176136857 /nfs/dbraw/zinc/13/68/57/176136857.db2.gz VYMSJKOTCHWNBF-PMPSAXMXSA-N 1 0 278.444 2.228 10 0 CEAERO CC[C@@H](C)[C@H]1CN(CCOCCOC)C2(CCCC2)C[NH2+]1 ZINC000071356176 176136966 /nfs/dbraw/zinc/13/69/66/176136966.db2.gz WZVSEDDUEQEYMQ-HZPDHXFCSA-N 1 0 298.471 2.282 10 0 CEAERO CC[C@@H](C)[C@H]1CN[C@@](C)(CC)C[N@@H+]1CCn1cccn1 ZINC000071357098 176137011 /nfs/dbraw/zinc/13/70/11/176137011.db2.gz YAINVJPIFFXVLB-OAGGEKHMSA-N 1 0 278.444 2.372 10 0 CEAERO COCCOCCN1CC2(CCCCC2)[NH2+]C[C@@H]1C(C)C ZINC000071359576 176137336 /nfs/dbraw/zinc/13/73/36/176137336.db2.gz BRAZLGXKXMTVCS-MRXNPFEDSA-N 1 0 298.471 2.282 10 0 CEAERO c1cnn(CCN2CC3(CCCCC3)[NH2+]C[C@@H]2C2CC2)c1 ZINC000071359719 176137384 /nfs/dbraw/zinc/13/73/84/176137384.db2.gz HUTMLMAMCQVTQW-MRXNPFEDSA-N 1 0 288.439 2.270 10 0 CEAERO Cc1nccn1CCN1CC2(CCCC2)[NH2+]C[C@@H]1C1CC1 ZINC000071358694 176137622 /nfs/dbraw/zinc/13/76/22/176137622.db2.gz BPCRPKMEJMBOBG-MRXNPFEDSA-N 1 0 288.439 2.188 10 0 CEAERO CCn1cc(CN2CC3(CCCC3)[NH2+]C[C@H]2C2CC2)cn1 ZINC000071358709 176137753 /nfs/dbraw/zinc/13/77/53/176137753.db2.gz LCAPJXBXOWLVLX-INIZCTEOSA-N 1 0 288.439 2.400 10 0 CEAERO CC[C@@]1(C)C[N@H+](CCOCCOC)C2(CCCCC2)CN1 ZINC000071358031 176137932 /nfs/dbraw/zinc/13/79/32/176137932.db2.gz ZFVKCRSRHKRISO-INIZCTEOSA-N 1 0 298.471 2.426 10 0 CEAERO CCCC1N=NC(=S)N1CC[N@H+](C)C1CCCC1 ZINC000071377665 176142926 /nfs/dbraw/zinc/14/29/26/176142926.db2.gz AFGUTUKBDTZULL-UHFFFAOYSA-N 1 0 268.430 2.394 10 0 CEAERO COC(=O)c1cc(NCC[N@H+](C)C2CCCC2)ccc1N ZINC000071379954 176144136 /nfs/dbraw/zinc/14/41/36/176144136.db2.gz LDVCRJHOMBBDFN-UHFFFAOYSA-N 1 0 291.395 2.342 10 0 CEAERO C[NH+](C)Cc1ccccc1C[NH2+]Cc1ccc(C(=O)[O-])o1 ZINC000071380425 176144885 /nfs/dbraw/zinc/14/48/85/176144885.db2.gz UPMOKLICBBUSGA-UHFFFAOYSA-N 1 0 288.347 2.329 10 0 CEAERO C[C@H]1CN(c2nc3ccccc3cc2C(N)=[NH2+])CCCO1 ZINC000071390225 176148518 /nfs/dbraw/zinc/14/85/18/176148518.db2.gz JUQUFGGISBWFLL-NSHDSACASA-N 1 0 284.363 2.134 10 0 CEAERO NC(=[NH2+])c1cc2ccccc2nc1OC1CCOCC1 ZINC000071390380 176148542 /nfs/dbraw/zinc/14/85/42/176148542.db2.gz DCBAHDNASGNUFX-UHFFFAOYSA-N 1 0 271.320 2.077 10 0 CEAERO c1c(C2CC2)nc(N2CCC[NH2+]CC2)nc1C1CC1 ZINC000071398136 176151783 /nfs/dbraw/zinc/15/17/83/176151783.db2.gz RGPGADDCDXEUSU-UHFFFAOYSA-N 1 0 258.369 2.031 10 0 CEAERO [NH3+]CCc1ccc(OCc2ncon2)c(C(F)(F)F)c1 ZINC000071399469 176152298 /nfs/dbraw/zinc/15/22/98/176152298.db2.gz DQUCYPYXNDZSLR-UHFFFAOYSA-N 1 0 287.241 2.169 10 0 CEAERO C[NH2+]CC(=O)N[C@@H](c1cccnc1)c1ccc(C)cc1C ZINC000071404209 176155261 /nfs/dbraw/zinc/15/52/61/176155261.db2.gz NTBZEGBFWCSPND-KRWDZBQOSA-N 1 0 283.375 2.123 10 0 CEAERO CNC(=O)[C@H](C)Oc1ccc(C)cc1C[NH2+]C(C)(C)C ZINC000071407174 176156302 /nfs/dbraw/zinc/15/63/02/176156302.db2.gz FNWVTJOKSWVTRJ-LBPRGKRZSA-N 1 0 278.396 2.396 10 0 CEAERO CCC[C@H](C)NC(=O)COc1ccc(C)cc1CC[NH3+] ZINC000071411442 176156958 /nfs/dbraw/zinc/15/69/58/176156958.db2.gz VPPVRFUFPGXUIN-ZDUSSCGKSA-N 1 0 278.396 2.180 10 0 CEAERO CCCCNC(=O)COc1ccc(C)cc1C[C@@H](C)[NH3+] ZINC000071411947 176157652 /nfs/dbraw/zinc/15/76/52/176157652.db2.gz XBLSMYBSRNAODS-CYBMUJFWSA-N 1 0 278.396 2.180 10 0 CEAERO CC[NH2+][C@@H](C)[C@H](O)c1ccc(OC)c(C)c1OC ZINC000071574805 176201824 /nfs/dbraw/zinc/20/18/24/176201824.db2.gz ZNYMCLBBDNSUEJ-GWCFXTLKSA-N 1 0 253.342 2.044 10 0 CEAERO C[C@H]([NH3+])CS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000071576821 176204648 /nfs/dbraw/zinc/20/46/48/176204648.db2.gz AGYZGVMBATVCGV-JTQLQIEISA-N 1 0 255.383 2.105 10 0 CEAERO Cc1ccc(S(=O)(=O)CC[NH2+]C(C)C)cc1C ZINC000071576815 176204757 /nfs/dbraw/zinc/20/47/57/176204757.db2.gz NMHWJROJMBIKRJ-UHFFFAOYSA-N 1 0 255.383 2.075 10 0 CEAERO CN(CCc1ccncc1)c1cccc(F)c1C[NH3+] ZINC000071585374 176210935 /nfs/dbraw/zinc/21/09/35/176210935.db2.gz GIHKUGUNUJVFCD-UHFFFAOYSA-N 1 0 259.328 2.358 10 0 CEAERO CC(C)(C)c1ccc(CN2CCC[NH2+]CC2=O)cc1 ZINC000071586763 176213822 /nfs/dbraw/zinc/21/38/22/176213822.db2.gz SXNQEYLBOJQSMO-UHFFFAOYSA-N 1 0 260.381 2.306 10 0 CEAERO COc1cc([C@H](O)[C@@H](C)[NH2+]C2CC2)c(OC)cc1C ZINC000071597817 176221222 /nfs/dbraw/zinc/22/12/22/176221222.db2.gz JMMHIJIFOJNHJN-MEBBXXQBSA-N 1 0 265.353 2.186 10 0 CEAERO c1cc(CCNc2ccc(C[C@@H]3CC[NH2+]C3)cn2)ccn1 ZINC000072366214 176381225 /nfs/dbraw/zinc/38/12/25/176381225.db2.gz PMJQQMXLQXMYEE-INIZCTEOSA-N 1 0 282.391 2.283 10 0 CEAERO Cc1cnc(C)c(N2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000656608942 415785362 /nfs/dbraw/zinc/78/53/62/415785362.db2.gz OVSFAYXFSYUPRJ-HNNXBMFYSA-N 1 0 274.412 2.309 10 0 CEAERO CO[C@H](CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C)C1CCCC1 ZINC000659930193 415789557 /nfs/dbraw/zinc/78/95/57/415789557.db2.gz XVULRVJKQZUROS-VNQPRFMTSA-N 1 0 266.429 2.360 10 0 CEAERO CC(C)[N@H+](C)C[C@H](O)CN1CCCC[C@@H]1c1nccs1 ZINC000656700389 415822421 /nfs/dbraw/zinc/82/24/21/415822421.db2.gz IKNNVLCNKBRKLL-UONOGXRCSA-N 1 0 297.468 2.371 10 0 CEAERO CCCn1c2ccc([C@H](O)[C@@H]3CCCC[NH2+]3)cc2oc1=O ZINC000074365891 176532890 /nfs/dbraw/zinc/53/28/90/176532890.db2.gz OZFHPEOOOGUJDW-WFASDCNBSA-N 1 0 290.363 2.180 10 0 CEAERO COCCC[NH+]1[C@@H](C)CN(C(=O)NCC(C)(C)C)C[C@@H]1C ZINC000074557474 176587538 /nfs/dbraw/zinc/58/75/38/176587538.db2.gz BPELAYSFMMXVET-KBPBESRZSA-N 1 0 299.459 2.173 10 0 CEAERO C[NH2+][C@H](C)C(=O)N1CCC[C@H](C2CCCCC2)C1 ZINC000662741511 415951501 /nfs/dbraw/zinc/95/15/01/415951501.db2.gz MGUNVKGJKNHXLG-OCCSQVGLSA-N 1 0 252.402 2.413 10 0 CEAERO O=C([C@H]1CC[NH2+]C1)N1CCC[C@H](C2CCCCC2)C1 ZINC000662741551 415951671 /nfs/dbraw/zinc/95/16/71/415951671.db2.gz NLWGFFIZQYBSGL-GJZGRUSLSA-N 1 0 264.413 2.415 10 0 CEAERO Cc1cc[n+](CCC(=O)N[C@@H]2CCCC[C@@H]2C)cc1 ZINC000075216754 176674190 /nfs/dbraw/zinc/67/41/90/176674190.db2.gz NOXRZKMEYINYAW-LSDHHAIUSA-O 1 0 261.389 2.368 10 0 CEAERO C[NH2+]CC(=O)N[C@H](C)c1ccc(OC(C)C)c(C)c1 ZINC000076368878 177005655 /nfs/dbraw/zinc/00/56/55/177005655.db2.gz KDTUEJPPICCPOD-GFCCVEGCSA-N 1 0 264.369 2.179 10 0 CEAERO C[NH2+]CCC(=O)N[C@H](C)c1cc(C)c(OC)cc1C ZINC000076369145 177006188 /nfs/dbraw/zinc/00/61/88/177006188.db2.gz XYYFVDFFYODAKP-GFCCVEGCSA-N 1 0 264.369 2.099 10 0 CEAERO COc1cc2c(cc1OC)[C@H](CN1CCCCC1)[NH2+]CC2 ZINC000076533559 177034851 /nfs/dbraw/zinc/03/48/51/177034851.db2.gz VXCJSPPSJYLWMN-HNNXBMFYSA-N 1 0 290.407 2.377 10 0 CEAERO COc1ccc(C)cc1NC(=O)CC[C@H](C)C[NH3+] ZINC000076654802 177044596 /nfs/dbraw/zinc/04/45/96/177044596.db2.gz RMBUNIGZGUFIKH-NSHDSACASA-N 1 0 250.342 2.317 10 0 CEAERO COc1cc([C@@H](C[NH3+])C2CC2)cc(OC)c1OC ZINC000076655826 177045722 /nfs/dbraw/zinc/04/57/22/177045722.db2.gz AQAFBMZXFVQLIP-NSHDSACASA-N 1 0 251.326 2.165 10 0 CEAERO CC(C)Oc1ccc(CN(C(=O)C[NH3+])C(C)C)cc1 ZINC000076680156 177058076 /nfs/dbraw/zinc/05/80/76/177058076.db2.gz SNLNKAZTSBSODK-UHFFFAOYSA-N 1 0 264.369 2.170 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@@H]2C[C@H](C[NH3+])C[C@@H]2C1 ZINC000076695439 177059865 /nfs/dbraw/zinc/05/98/65/177059865.db2.gz WHJSTMPQNXUSLD-QJPTWQEYSA-N 1 0 254.374 2.228 10 0 CEAERO C[NH2+][C@@H](C)c1cn2cc(Br)ccc2n1 ZINC000076790306 177096154 /nfs/dbraw/zinc/09/61/54/177096154.db2.gz XKQOKPVLQMWQHZ-ZETCQYMHSA-N 1 0 254.131 2.377 10 0 CEAERO C[C@@H](C[NH+]1CCCCC1)C(=O)c1ccc(CO)cc1 ZINC000077293512 177250331 /nfs/dbraw/zinc/25/03/31/177250331.db2.gz MBFHFUBFALKDKH-ZDUSSCGKSA-N 1 0 261.365 2.484 10 0 in-vitro CEAERO C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)COC(C)(C)C ZINC000078379199 177335623 /nfs/dbraw/zinc/33/56/23/177335623.db2.gz HDNWZQAPZNUHHK-ZDUSSCGKSA-N 1 0 295.379 2.023 10 0 CEAERO C[NH2+]CC[C@H]1CCCCN1CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000078513947 177348390 /nfs/dbraw/zinc/34/83/90/177348390.db2.gz DJQJRHHLILKSRU-HRCADAONSA-N 1 0 295.471 2.240 10 0 CEAERO CCOC[C@@H](O)C[N@@H+]1C[C@H](c2ccccc2)OCC1(C)C ZINC000078699590 177373031 /nfs/dbraw/zinc/37/30/31/177373031.db2.gz XEGLLTWHXXUGGI-JKSUJKDBSA-N 1 0 293.407 2.236 10 0 CEAERO CCN(C(=O)C[N@H+](C)CC(C)(C)O)c1ccccc1C ZINC000078778704 177387268 /nfs/dbraw/zinc/38/72/68/177387268.db2.gz JSUOMTDDFRHSCD-UHFFFAOYSA-N 1 0 278.396 2.051 10 0 CEAERO O=C(OCc1ccccc1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000079034788 177418882 /nfs/dbraw/zinc/41/88/82/177418882.db2.gz HEZCGTMULXDKLA-UONOGXRCSA-N 1 0 260.337 2.007 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@@]2(CC[NH2+]C2)C(F)(F)C1 ZINC000079035623 177419143 /nfs/dbraw/zinc/41/91/43/177419143.db2.gz KHPAJMUBUAEYQI-GFCCVEGCSA-N 1 0 276.327 2.242 10 0 CEAERO CC[C@H](CC[NH3+])CCC(=O)N(C)[C@H]1CCSC1 ZINC000079207789 177445947 /nfs/dbraw/zinc/44/59/47/177445947.db2.gz XLDOVHZOYCXBIM-RYUDHWBXSA-N 1 0 258.431 2.106 10 0 CEAERO CC[C@H](CC[NH3+])CCC(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000079214440 177449254 /nfs/dbraw/zinc/44/92/54/177449254.db2.gz KLPHZEIMYODHTK-UONOGXRCSA-N 1 0 292.427 2.271 10 0 CEAERO CCC[C@H]1CCC(=O)N(CC[C@@H](C[NH3+])OCC)CC1 ZINC000079226778 177450866 /nfs/dbraw/zinc/45/08/66/177450866.db2.gz YVPQYYPFACOFEK-KBPBESRZSA-N 1 0 270.417 2.169 10 0 CEAERO CC(C)[C@@H](CC[NH3+])CCC(=O)N(C)[C@@H]1CCSC1 ZINC000079254923 177459271 /nfs/dbraw/zinc/45/92/71/177459271.db2.gz BAWFPIGEWRTDGS-CHWSQXEVSA-N 1 0 272.458 2.352 10 0 CEAERO CC(C)[C@@H](CC[NH3+])CCC(=O)N[C@H](CO)c1ccccc1 ZINC000079278723 177462374 /nfs/dbraw/zinc/46/23/74/177462374.db2.gz PODMVHAEYGCEFI-GDBMZVCRSA-N 1 0 292.423 2.237 10 0 CEAERO CC(C)[C@H](CC[NH3+])CCC(=O)N(C)C[C@H]1CCCOC1 ZINC000079278907 177462498 /nfs/dbraw/zinc/46/24/98/177462498.db2.gz XKOAQYTVHRMICT-CABCVRRESA-N 1 0 284.444 2.273 10 0 CEAERO COC[C@@H](C)OC(=O)CC[C@@H](CC[NH3+])C(C)(C)C ZINC000079287307 177463988 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CCC(CC)(NC(=O)Nc1cccc(OC)c1)C(N)=[NH2+] ZINC000079779320 177557615 /nfs/dbraw/zinc/55/76/15/177557615.db2.gz COGLPRUYVIUOQD-UHFFFAOYSA-N 1 0 278.356 2.311 10 0 CEAERO CCCN(C(=O)NC1CC1)[C@@]1(C[NH3+])CCC[C@H](C)C1 ZINC000079869192 177572799 /nfs/dbraw/zinc/57/27/99/177572799.db2.gz OTPNWKYLAOYJHA-WFASDCNBSA-N 1 0 267.417 2.478 10 0 CEAERO CCCCNC(=O)NC1(C[NH3+])CCC(CC)CC1 ZINC000079868340 177573090 /nfs/dbraw/zinc/57/30/90/177573090.db2.gz JRMOWRYMVJMMSZ-UHFFFAOYSA-N 1 0 255.406 2.383 10 0 CEAERO CC[C@](C)(C[NH3+])N(C)C(=O)Nc1cccc(OC)c1 ZINC000079869547 177573432 /nfs/dbraw/zinc/57/34/32/177573432.db2.gz RTBGBVLYTUYQSE-CQSZACIVSA-N 1 0 265.357 2.286 10 0 CEAERO COc1ccc([C@@H]2OCCC[C@@H]2C[NH3+])c(OC)c1 ZINC000079898775 177578027 /nfs/dbraw/zinc/57/80/27/177578027.db2.gz VCZTZXIZRWOJHB-QMTHXVAHSA-N 1 0 251.326 2.130 10 0 CEAERO Cc1cc(-c2nc(C[NH2+]C3CC3)cc(=O)[nH]2)ccc1F ZINC000079940595 177584755 /nfs/dbraw/zinc/58/47/55/177584755.db2.gz OABYALUZVZRECD-UHFFFAOYSA-N 1 0 273.311 2.136 10 0 CEAERO C[C@]1([NH2+][C@@H]2CCCC(C)(C)C2)CCS(=O)(=O)C1 ZINC000079973762 177590976 /nfs/dbraw/zinc/59/09/76/177590976.db2.gz KCYKNRSKXJGQMC-YPMHNXCESA-N 1 0 259.415 2.122 10 0 CEAERO CCn1cc(Cn2ccc3ccc(C[NH3+])cc32)cn1 ZINC000080052909 177603618 /nfs/dbraw/zinc/60/36/18/177603618.db2.gz JUTSZTLKQIOBEW-UHFFFAOYSA-N 1 0 254.337 2.365 10 0 CEAERO COCCOCCn1nc(C)c(CC[NH2+]C(C)(C)C)c1C ZINC000080064865 177603988 /nfs/dbraw/zinc/60/39/88/177603988.db2.gz YESSIFUXCWBPTI-UHFFFAOYSA-N 1 0 297.443 2.094 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cccc2c1CCC2 ZINC000193648851 226931783 /nfs/dbraw/zinc/93/17/83/226931783.db2.gz SDHWDERXHRVPLC-IAQYHMDHSA-N 1 0 258.365 2.046 10 0 CEAERO COc1cc(C)c(NC(=O)C[C@@H]([NH3+])C(C)C)cc1OC ZINC000136345662 419445024 /nfs/dbraw/zinc/44/50/24/419445024.db2.gz WBKKANMZZHIOFS-LLVKDONJSA-N 1 0 280.368 2.324 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)N(C)Cc1cccc(F)c1 ZINC000136307313 419445168 /nfs/dbraw/zinc/44/51/68/419445168.db2.gz DJQGCAROZOVNBN-CYBMUJFWSA-N 1 0 252.333 2.158 10 0 CEAERO Cc1nc2cc(NC(=O)C[C@@H]([NH3+])C(C)C)ccc2[nH]1 ZINC000136355693 419445578 /nfs/dbraw/zinc/44/55/78/419445578.db2.gz QULVMHOAHIJAKH-LLVKDONJSA-N 1 0 260.341 2.183 10 0 CEAERO COc1ccccc1[C@H](C)NC(=O)C[C@H]([NH3+])C(C)C ZINC000136433375 419448046 /nfs/dbraw/zinc/44/80/46/419448046.db2.gz LWTGTRYBFHOLSH-AAEUAGOBSA-N 1 0 264.369 2.246 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H](C)Cc1ccsc1 ZINC000136440624 419448124 /nfs/dbraw/zinc/44/81/24/419448124.db2.gz QOOUNAZQTIVMJQ-ZYHUDNBSSA-N 1 0 254.399 2.169 10 0 CEAERO CCOc1cccc(NC(=O)C[C@H]([NH3+])C(C)C)c1 ZINC000136370451 419448140 /nfs/dbraw/zinc/44/81/40/419448140.db2.gz KOLLUPFTMLHYPA-ZDUSSCGKSA-N 1 0 250.342 2.397 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)NCc1cccc(Br)c1 ZINC000136439221 419448203 /nfs/dbraw/zinc/44/82/03/419448203.db2.gz RNPFLIIPOQLEEC-GFCCVEGCSA-N 1 0 299.212 2.439 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccccc1N1CCCC1=O ZINC000136428370 419448397 /nfs/dbraw/zinc/44/83/97/419448397.db2.gz WYDSEXBOAXPLDL-LBPRGKRZSA-N 1 0 289.379 2.125 10 0 CEAERO CCc1nc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)sc1C ZINC000174357122 260040127 /nfs/dbraw/zinc/04/01/27/260040127.db2.gz GNPQYXZPMPACIT-SNVBAGLBSA-N 1 0 282.413 2.182 10 0 CEAERO CC(C)(C)OC(=O)NCC(C)(C)[NH2+]Cc1ccncc1 ZINC000221049287 260144874 /nfs/dbraw/zinc/14/48/74/260144874.db2.gz RWIYEGUBCIPJGW-UHFFFAOYSA-N 1 0 279.384 2.475 10 0 CEAERO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)C[C@@H]1CCSC1 ZINC000494936353 262273689 /nfs/dbraw/zinc/27/36/89/262273689.db2.gz ZPANRGPRZKWAHQ-MNOVXSKESA-N 1 0 259.415 2.402 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1c1ncc(Cl)cc1Br ZINC000261531293 274438314 /nfs/dbraw/zinc/43/83/14/274438314.db2.gz GASFVXPJVSQFCT-HZGVNTEJSA-N 1 0 290.592 2.423 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]CC2(C)CCOCC2)C12CCOCC2 ZINC000186418280 270249808 /nfs/dbraw/zinc/24/98/08/270249808.db2.gz ZLYOPNMASHKQNH-HUUCEWRRSA-N 1 0 297.439 2.367 10 0 CEAERO Brc1cnccc1N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261593415 273476958 /nfs/dbraw/zinc/47/69/58/273476958.db2.gz WUKDELZQTXVSNA-GXSJLCMTSA-N 1 0 282.185 2.032 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000187052258 270253401 /nfs/dbraw/zinc/25/34/01/270253401.db2.gz IXFNURBFQSVRBH-KGLIPLIRSA-N 1 0 299.459 2.220 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCCc3occc32)C1 ZINC000194150383 270293563 /nfs/dbraw/zinc/29/35/63/270293563.db2.gz PENGKYVEEHZFTF-GXTWGEPZSA-N 1 0 291.395 2.441 10 0 CEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC000392918680 270341619 /nfs/dbraw/zinc/34/16/19/270341619.db2.gz HOCAXXXBDXMTLI-AAEUAGOBSA-N 1 0 252.402 2.460 10 0 CEAERO COc1ccc(CCC(=O)N2C[C@H]([NH3+])[C@@H](C)C2)cc1Cl ZINC000423939416 270988863 /nfs/dbraw/zinc/98/88/63/270988863.db2.gz APIUTDDEAZNUJF-GWCFXTLKSA-N 1 0 296.798 2.087 10 0 CEAERO C[C@@H]1CN(c2cc(C(F)(F)F)ccn2)CC[C@@H]1[NH3+] ZINC000094342536 274361704 /nfs/dbraw/zinc/36/17/04/274361704.db2.gz FXWVOSCQHHKCID-SCZZXKLOSA-N 1 0 259.275 2.274 10 0 CEAERO C[C@@H]1CC[C@H](NC(=O)N2CC[C@@H]([NH+](C)C)C2)[C@@H](C)C1 ZINC000247244119 287776400 /nfs/dbraw/zinc/77/64/00/287776400.db2.gz NGAYVMAQAZMBOF-RQJABVFESA-N 1 0 267.417 2.157 10 0 CEAERO CC(C)[C@H]([NH3+])C(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000037508599 275702908 /nfs/dbraw/zinc/70/29/08/275702908.db2.gz AJJFNBIOYIYDEF-LBPRGKRZSA-N 1 0 264.325 2.116 10 0 CEAERO CCN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000105901088 276091138 /nfs/dbraw/zinc/09/11/38/276091138.db2.gz YBOBPEDQMMBCTD-CABCVRRESA-N 1 0 292.427 2.085 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+][C@H]2CCCC[C@@H]2C2CC2)C1 ZINC000263531962 276315242 /nfs/dbraw/zinc/31/52/42/276315242.db2.gz WYLFBCNYGDEDSF-FJBKBRRZSA-N 1 0 294.439 2.482 10 0 CEAERO CCOCCN1CC[N@H+](C[C@@H]2CCC(C)(C)O2)C[C@H]1CC ZINC000186971634 276322544 /nfs/dbraw/zinc/32/25/44/276322544.db2.gz AQJGJZRWWGZGEF-CVEARBPZSA-N 1 0 298.471 2.377 10 0 CEAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)C1CCSCC1)CC2 ZINC000187328625 276694992 /nfs/dbraw/zinc/69/49/92/276694992.db2.gz OEYYMKSHTQWKMY-YPMHNXCESA-N 1 0 294.468 2.277 10 0 CEAERO C[NH+]1CCC(NC(=O)N[C@H]2CCC23CCCC3)CC1 ZINC000336322998 277029926 /nfs/dbraw/zinc/02/99/26/277029926.db2.gz RSVLHGCAARTIBA-ZDUSSCGKSA-N 1 0 265.401 2.103 10 0 CEAERO CC(C)(C)OC(=O)N1CCc2c(C[NH3+])cccc2C1 ZINC000095761684 277194298 /nfs/dbraw/zinc/19/42/98/277194298.db2.gz RGIPNUSHCFRGNF-UHFFFAOYSA-N 1 0 262.353 2.439 10 0 CEAERO COCC[N@H+](C)CCNC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000183602039 277213700 /nfs/dbraw/zinc/21/37/00/277213700.db2.gz JVEZMRJUGRRVMG-KGLIPLIRSA-N 1 0 284.444 2.143 10 0 CEAERO CC(C)(C)OC[C@H](O)C[NH2+][C@@H]1CC2CCC1CC2 ZINC000336795315 277216869 /nfs/dbraw/zinc/21/68/69/277216869.db2.gz JNSOTSICOSLKBE-NWINJMCUSA-N 1 0 255.402 2.331 10 0 CEAERO CC(C)(C)OC[C@H](O)C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000175802342 277217007 /nfs/dbraw/zinc/21/70/07/277217007.db2.gz LGKIXNLXWZARGD-HZSPNIEDSA-N 1 0 255.402 2.284 10 0 CEAERO CC(C)CC1(CNC(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000127562573 277348412 /nfs/dbraw/zinc/34/84/12/277348412.db2.gz SZIJHANGGHFCJW-CYBMUJFWSA-N 1 0 267.417 2.158 10 0 CEAERO CO[C@H](CNC(=O)C[C@@H]1CCC[C@H]1[NH3+])c1ccc(F)cc1 ZINC000261812541 277727787 /nfs/dbraw/zinc/72/77/87/277727787.db2.gz SAMWGNFAAFSTOQ-NWANDNLSSA-N 1 0 294.370 2.147 10 0 CEAERO C[C@@H]1OCCC[C@H]1C(=O)N1CC[N@H+](C)CC12CCCCC2 ZINC000188526112 278051862 /nfs/dbraw/zinc/05/18/62/278051862.db2.gz QBOFXENPOVPIBE-LSDHHAIUSA-N 1 0 294.439 2.278 10 0 CEAERO C[C@H](C[NH2+][C@H]1CCC(=O)N[C@@H]1C)C1CCCCC1 ZINC000339160461 278210703 /nfs/dbraw/zinc/21/07/03/278210703.db2.gz LYARNALTHFYIQJ-BZPMIXESSA-N 1 0 252.402 2.460 10 0 CEAERO CC(C)(C)C1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091544745 278302892 /nfs/dbraw/zinc/30/28/92/278302892.db2.gz CIMQNZGTFXVRSO-AAEUAGOBSA-N 1 0 252.402 2.399 10 0 CEAERO CC1(C)CN(C(=O)c2ccccc2F)CC[C@@H]1[NH3+] ZINC000259286331 278324980 /nfs/dbraw/zinc/32/49/80/278324980.db2.gz VJQDGQSPIOYNCU-LBPRGKRZSA-N 1 0 250.317 2.025 10 0 CEAERO C[C@H]1CCCN(c2ccc(C(F)(F)F)nn2)[C@H]1C[NH3+] ZINC000252141216 278343821 /nfs/dbraw/zinc/34/38/21/278343821.db2.gz MHDQUROUPJDHJR-IUCAKERBSA-N 1 0 274.290 2.059 10 0 CEAERO CC1(C)CN(c2ncccc2Br)CC[C@H]1[NH3+] ZINC000261578641 278346789 /nfs/dbraw/zinc/34/67/89/278346789.db2.gz LWQHEQDXZNPFMO-SNVBAGLBSA-N 1 0 284.201 2.408 10 0 CEAERO C[C@@H]1CCN(c2nc3ccccc3n2C)[C@H](C[NH3+])C1 ZINC000261569802 278559125 /nfs/dbraw/zinc/55/91/25/278559125.db2.gz NLFWFLNZJJFGDM-NEPJUHHUSA-N 1 0 258.369 2.137 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[C@@H](C)[C@H]1C ZINC000246679122 279125047 /nfs/dbraw/zinc/12/50/47/279125047.db2.gz DDDGOKCTWUMSTQ-MGPQQGTHSA-N 1 0 269.433 2.403 10 0 CEAERO C[C@H]([NH3+])CC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000261861404 279395161 /nfs/dbraw/zinc/39/51/61/279395161.db2.gz OSYMRQAHGKFIJH-JQWIXIFHSA-N 1 0 262.353 2.142 10 0 CEAERO C[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1nc2ccccc2n1C ZINC000134239403 279544804 /nfs/dbraw/zinc/54/48/04/279544804.db2.gz FHNXAELKQXDSMM-TUAOUCFPSA-N 1 0 259.353 2.401 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1C(=O)c1cccc2[nH]ccc21 ZINC000044541908 279600638 /nfs/dbraw/zinc/60/06/38/279600638.db2.gz PSJMYFJXSPKGBS-NSHDSACASA-N 1 0 257.337 2.121 10 0 CEAERO [NH3+]C1(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)CCCC1 ZINC000037616675 279615144 /nfs/dbraw/zinc/61/51/44/279615144.db2.gz CPIJHHYXXUEDJR-VHSXEESVSA-N 1 0 278.318 2.495 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1cncc(C)c1 ZINC000134501193 280023980 /nfs/dbraw/zinc/02/39/80/280023980.db2.gz SEUNMDMYICHHQC-OAHLLOKOSA-N 1 0 290.411 2.016 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)CCC(=O)OC(C)(C)C ZINC000135582118 280050453 /nfs/dbraw/zinc/05/04/53/280050453.db2.gz HZYUBHKKIJDVJJ-ZDUSSCGKSA-N 1 0 270.417 2.134 10 0 CEAERO CCS[C@H]1CCCCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261837205 280055058 /nfs/dbraw/zinc/05/50/58/280055058.db2.gz UODJXXFVMNBMMW-HZSPNIEDSA-N 1 0 284.469 2.496 10 0 CEAERO CCOc1cccnc1C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000137110066 280066206 /nfs/dbraw/zinc/06/62/06/280066206.db2.gz WSVFBRIWODYQTH-ZDUSSCGKSA-N 1 0 293.411 2.186 10 0 CEAERO CCCOc1cccc(CN2CCCNC(=O)[C@H]2C)c1 ZINC000189092047 280142696 /nfs/dbraw/zinc/14/26/96/280142696.db2.gz TXRFBUJBSMLHGO-CYBMUJFWSA-N 1 0 276.380 2.186 10 0 CEAERO Cc1c(Cl)cccc1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000219875283 280232006 /nfs/dbraw/zinc/23/20/06/280232006.db2.gz XUPVBPHTKHGAFH-SNVBAGLBSA-N 1 0 252.745 2.212 10 0 CEAERO CCC[C@H](C)C[N@@H+]1CCN(C[C@@H](C)O)[C@@H](CC)C1 ZINC000245653505 280254922 /nfs/dbraw/zinc/25/49/22/280254922.db2.gz IFDCZBNVEGAKSL-ZNMIVQPWSA-N 1 0 256.434 2.200 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]3CCC[C@@H]32)C1 ZINC000245678854 280255634 /nfs/dbraw/zinc/25/56/34/280255634.db2.gz GFBHZXQRXCRIQB-KKUMJFAQSA-N 1 0 279.428 2.445 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cnc2ccccn12 ZINC000245956486 280268391 /nfs/dbraw/zinc/26/83/91/280268391.db2.gz CQXZCCDIHOITSN-CABCVRRESA-N 1 0 284.407 2.393 10 0 CEAERO CCc1cc(C)c(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)o1 ZINC000246261712 280284047 /nfs/dbraw/zinc/28/40/47/280284047.db2.gz JPMWJEJNJPHWPC-CHWSQXEVSA-N 1 0 276.380 2.459 10 0 CEAERO C[C@H](CC[NH2+][C@H](C)[C@H]1CCOC1)NC(=O)OC(C)(C)C ZINC000246289748 280285865 /nfs/dbraw/zinc/28/58/65/280285865.db2.gz CFGLDGMRQKEGDH-UPJWGTAASA-N 1 0 286.416 2.304 10 0 CEAERO C[NH+](C)C[C@H](NC(=O)[C@H]1C[C@H]1C1CC1)c1ccccc1 ZINC000246485511 280296772 /nfs/dbraw/zinc/29/67/72/280296772.db2.gz LSIZZGHOSIJEFI-JYJNAYRXSA-N 1 0 272.392 2.452 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC1CCC1 ZINC000246557199 280300726 /nfs/dbraw/zinc/30/07/26/280300726.db2.gz YVZZIBAEHGAPQE-KBPBESRZSA-N 1 0 265.401 2.055 10 0 CEAERO CSCC[C@@H](C)[N@H+](C)C[C@@H](O)COC(C)(C)C ZINC000247033990 280318450 /nfs/dbraw/zinc/31/84/50/280318450.db2.gz YMKXJBDHDBRRJN-VXGBXAGGSA-N 1 0 263.447 2.236 10 0 CEAERO CC[C@@H]1CN(C(=O)C[C@H]2CC[C@H](C)C2)CC[N@@H+]1CCOC ZINC000247632793 280335618 /nfs/dbraw/zinc/33/56/18/280335618.db2.gz NYIHRVOHNZRYSR-HRCADAONSA-N 1 0 296.455 2.382 10 0 CEAERO CC[C@@H]1CN(C(=O)C[C@@H]2CC[C@H](C)C2)CC[N@@H+]1C[C@H](C)O ZINC000247659205 280337423 /nfs/dbraw/zinc/33/74/23/280337423.db2.gz PVAKYVWQIPBBFO-CAOSSQGBSA-N 1 0 296.455 2.116 10 0 CEAERO CCCCOC[C@H](O)C[N@H+]([C@H](C)C1CC1)C1CC1 ZINC000248662655 280358634 /nfs/dbraw/zinc/35/86/34/280358634.db2.gz YSFZADIRPBWJSC-IUODEOHRSA-N 1 0 255.402 2.427 10 0 CEAERO Cc1ncsc1/C=C/C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000249140011 280386523 /nfs/dbraw/zinc/38/65/23/280386523.db2.gz PVQSNYRIQVYNKY-ZFAUCMQBSA-N 1 0 293.436 2.310 10 0 CEAERO CCc1cccc(CN2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000249298296 280392319 /nfs/dbraw/zinc/39/23/19/280392319.db2.gz NGXZBYYIYUJZTE-LSDHHAIUSA-N 1 0 276.424 2.136 10 0 CEAERO Brc1ccccc1CNC[C@@H]1CC[NH2+]C1 ZINC000258948216 280528331 /nfs/dbraw/zinc/52/83/31/280528331.db2.gz QXRKSQRORHCCCR-SNVBAGLBSA-N 1 0 269.186 2.148 10 0 CEAERO Brc1cncc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261596228 280529837 /nfs/dbraw/zinc/52/98/37/280529837.db2.gz YQRQIIGQEVJDOE-BXKDBHETSA-N 1 0 282.185 2.032 10 0 CEAERO CCCN(C[C@H]1CCCCO1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261617832 280530069 /nfs/dbraw/zinc/53/00/69/280530069.db2.gz AKIPMZSVMOTKSR-RBSFLKMASA-N 1 0 282.428 2.169 10 0 CEAERO FC(F)Oc1ccc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)nc1 ZINC000328109561 280602941 /nfs/dbraw/zinc/60/29/41/280602941.db2.gz XIWAVBIUAZQQJQ-PHIMTYICSA-N 1 0 283.322 2.119 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1csc2c1CC[C@@H](C)C2 ZINC000423637499 281072241 /nfs/dbraw/zinc/07/22/41/281072241.db2.gz HHLABKJQRCGDIO-GBIKHYSHSA-N 1 0 278.421 2.435 10 0 CEAERO Cc1ccc(SCCC(=O)N2CC[C@@H]([NH3+])[C@@H]2C)cc1 ZINC000423643204 281073856 /nfs/dbraw/zinc/07/38/56/281073856.db2.gz MGHJRAWLIHIQMU-GXTWGEPZSA-N 1 0 278.421 2.425 10 0 CEAERO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)C[C@@H]1[NH3+] ZINC000423989054 281109932 /nfs/dbraw/zinc/10/99/32/281109932.db2.gz YBMLAYORLDEQOA-FQKPHLNHSA-N 1 0 264.413 2.399 10 0 CEAERO Cc1ccc2[nH+]ccc(NC[C@@H]3CN(C)CCO3)c2c1 ZINC000185561467 281171671 /nfs/dbraw/zinc/17/16/71/281171671.db2.gz IGHWSBDICWJOII-CYBMUJFWSA-N 1 0 271.364 2.286 10 0 CEAERO CC[C@H]1CN2CCC[C@H]2C[N@@H+]1CC1(OC)CCC1 ZINC000300634939 281199156 /nfs/dbraw/zinc/19/91/56/281199156.db2.gz OUMBGWRPDSTZQQ-KBPBESRZSA-N 1 0 252.402 2.114 10 0 CEAERO CC1(C)CN(C(=O)[C@H]2CC23CCCC3)CC[C@@H]1[NH3+] ZINC000261957502 281208225 /nfs/dbraw/zinc/20/82/25/281208225.db2.gz KONSVGGGDSWHLR-NEPJUHHUSA-N 1 0 250.386 2.153 10 0 CEAERO CC1(C)[C@H](C(F)(F)F)CCN1C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000261573920 281474526 /nfs/dbraw/zinc/47/45/26/281474526.db2.gz WFZZFWZTGCUULT-KXUCPTDWSA-N 1 0 278.318 2.303 10 0 CEAERO Cc1nc(N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1Br ZINC000261549615 281945164 /nfs/dbraw/zinc/94/51/64/281945164.db2.gz KRUUGHSKVLYIOS-HOSYDEDBSA-N 1 0 296.212 2.326 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(C)nc2C)C1 ZINC000152333419 289086088 /nfs/dbraw/zinc/08/60/88/289086088.db2.gz UZFCSQZYCZWLNQ-CYBMUJFWSA-N 1 0 276.384 2.304 10 0 CEAERO COCCN1CC[N@H+](CCCSCC(C)C)C[C@@H]1C ZINC000152609460 289094216 /nfs/dbraw/zinc/09/42/16/289094216.db2.gz JRAOOFMCDPODCF-HNNXBMFYSA-N 1 0 288.501 2.418 10 0 CEAERO CS[C@@H](C)CC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000153030108 289104093 /nfs/dbraw/zinc/10/40/93/289104093.db2.gz PQUCHYKACQKCLK-QWHCGFSZSA-N 1 0 272.458 2.365 10 0 CEAERO CCC[C@H](C(=O)NCC1(CCOC)CCC1)[NH+](C)C ZINC000154843447 289155974 /nfs/dbraw/zinc/15/59/74/289155974.db2.gz IAEFWCQAOUMBPF-CYBMUJFWSA-N 1 0 270.417 2.040 10 0 CEAERO Cc1cccc(CC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000155709289 289180694 /nfs/dbraw/zinc/18/06/94/289180694.db2.gz LCBWODCXRSLYIP-GOEBONIOSA-N 1 0 274.408 2.382 10 0 CEAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000305115780 289271148 /nfs/dbraw/zinc/27/11/48/289271148.db2.gz LJMFQFUOEJYURX-TZMCWYRMSA-N 1 0 267.394 2.368 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@@]23CCc2ccccc23)C1 ZINC000175980521 289314601 /nfs/dbraw/zinc/31/46/01/289314601.db2.gz GCZOFRBUPJOCJB-UWWQBHOKSA-N 1 0 284.403 2.053 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@H]1CCO[C@@H]1c1ccccc1 ZINC000261748947 295272335 /nfs/dbraw/zinc/27/23/35/295272335.db2.gz MLNQWHVIAZVXAA-LVQVYYBASA-N 1 0 288.391 2.008 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000227177430 295297800 /nfs/dbraw/zinc/29/78/00/295297800.db2.gz UKZZYEKWPVZYMU-KBUPBQIOSA-N 1 0 280.412 2.064 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]1)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000042167648 295534188 /nfs/dbraw/zinc/53/41/88/295534188.db2.gz LMXBEUMDBCAUGO-DCAQKATOSA-N 1 0 278.318 2.366 10 0 CEAERO C[C@@H]1COCC[C@@H]1[NH2+][C@H](CCO)C1CCCCC1 ZINC000248828205 297140785 /nfs/dbraw/zinc/14/07/85/297140785.db2.gz DJZZTZUZENGHDD-VHDGCEQUSA-N 1 0 255.402 2.332 10 0 CEAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)N(C)C2)CC(C)(C)C1 ZINC000084063560 297286052 /nfs/dbraw/zinc/28/60/52/297286052.db2.gz JAWWGBIHBRVRTL-JHJVBQTASA-N 1 0 252.402 2.412 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2c(F)cccc2F)C1 ZINC000171069476 297474180 /nfs/dbraw/zinc/47/41/80/297474180.db2.gz OCAWRECLRRZMFD-SECBINFHSA-N 1 0 269.295 2.133 10 0 CEAERO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1nccs1 ZINC000567343980 299054608 /nfs/dbraw/zinc/05/46/08/299054608.db2.gz MPPIYNGPLNFLSP-GRYCIOLGSA-N 1 0 253.415 2.224 10 0 CEAERO Cc1cc(C)c(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(C)c1 ZINC000261773980 301169123 /nfs/dbraw/zinc/16/91/23/301169123.db2.gz OWXBBZNRIBJGMH-RRFJBIMHSA-N 1 0 272.392 2.421 10 0 CEAERO Cc1csc([C@H]2CCCCN2C(=O)C[C@@H](C)[NH3+])n1 ZINC000261687924 302444696 /nfs/dbraw/zinc/44/46/96/302444696.db2.gz BWDSZKVEVCFOOA-MWLCHTKSSA-N 1 0 267.398 2.242 10 0 CEAERO CCN1CCC[C@H]([NH2+]Cc2ccncc2Cl)C1 ZINC000527644160 313190677 /nfs/dbraw/zinc/19/06/77/313190677.db2.gz FZAZGUAHKPKMLW-LBPRGKRZSA-N 1 0 253.777 2.309 10 0 CEAERO Cc1csc2c1ncnc2NCCC[NH2+]C(C)C ZINC000569580061 314002124 /nfs/dbraw/zinc/00/21/24/314002124.db2.gz GIYRNGPDJIOOIF-UHFFFAOYSA-N 1 0 264.398 2.222 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCCc1ccc(Cl)s1 ZINC000384241680 321850989 /nfs/dbraw/zinc/85/09/89/321850989.db2.gz JFYDFOYCJVPCHN-KOLCDFICSA-N 1 0 286.828 2.448 10 0 CEAERO CC(C)[C@@H]1CCCCN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000396091922 329309218 /nfs/dbraw/zinc/30/92/18/329309218.db2.gz OYUCGKDCKZZLSI-KBPBESRZSA-N 1 0 252.402 2.413 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc(O)cc1 ZINC000049560334 519340847 /nfs/dbraw/zinc/34/08/47/519340847.db2.gz VYHDNZGJFRDAQE-CYBMUJFWSA-N 1 0 264.369 2.098 10 0 CEAERO CC(C)CN1CC[NH+]([C@@H]2CCCCCC[C@H]2O)CC1 ZINC000055080997 519727575 /nfs/dbraw/zinc/72/75/75/519727575.db2.gz PNXUVASBSLOFQF-HZPDHXFCSA-N 1 0 268.445 2.344 10 0 CEAERO CC(C)C[NH2+]C[C@@H](CC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000052952118 519744904 /nfs/dbraw/zinc/74/49/04/519744904.db2.gz VHWRTHOVMYZLDD-ZIAGYGMSSA-N 1 0 275.458 2.329 10 0 CEAERO CCC1CCC([N@H+](C)CC[C@@H]([NH2+]C2CC2)C(=O)[O-])CC1 ZINC000062525984 519853416 /nfs/dbraw/zinc/85/34/16/519853416.db2.gz PSJQBMSGFOKDOB-PESDSKBTSA-N 1 0 282.428 2.482 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N1CCC[C@H]1c1ccncc1 ZINC000061289581 519904444 /nfs/dbraw/zinc/90/44/44/519904444.db2.gz IDANPOUGQGZFNP-ZDUSSCGKSA-N 1 0 261.369 2.133 10 0 CEAERO CCC[NH2+][C@@H](CC[N@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000062451255 519993611 /nfs/dbraw/zinc/99/36/11/519993611.db2.gz NAFJABAJMHGODM-AWEZNQCLSA-N 1 0 270.417 2.484 10 0 CEAERO CCCN[C@@H](CC[N@H+](C)[C@@H](C)C(C)C)C(=O)OCC ZINC000062449024 519996498 /nfs/dbraw/zinc/99/64/98/519996498.db2.gz WFQCHVUIAYQLOC-KBPBESRZSA-N 1 0 272.433 2.284 10 0 CEAERO CC[NH2+]Cc1nc(CN(CCOC)[C@@H](C)CC)cs1 ZINC000052547168 520020712 /nfs/dbraw/zinc/02/07/12/520020712.db2.gz XXWBBTXZTFGQCO-LBPRGKRZSA-N 1 0 285.457 2.500 10 0 CEAERO CCC[NH2+][C@@H]1CCN([C@@H](C)Cc2ccsc2)C1=O ZINC000049649166 520023313 /nfs/dbraw/zinc/02/33/13/520023313.db2.gz WHWNTAQYHLXAQE-WCQYABFASA-N 1 0 266.410 2.280 10 0 CEAERO CCCN[C@H](CC[N@H+](CCC)C1CC1)C(=O)OCC ZINC000062447258 520075047 /nfs/dbraw/zinc/07/50/47/520075047.db2.gz FMYCIZTUCNSVJT-CQSZACIVSA-N 1 0 270.417 2.182 10 0 CEAERO CCC[NH2+][C@H](CS(C)(=O)=O)c1ccc(F)c(C)c1 ZINC000055228754 520084531 /nfs/dbraw/zinc/08/45/31/520084531.db2.gz LLGGOPLFIUHRKN-CYBMUJFWSA-N 1 0 273.373 2.219 10 0 CEAERO CCN[C@@H](CC[N@H+](CC)C1CCCC1)C(=O)OCC ZINC000062448420 520085602 /nfs/dbraw/zinc/08/56/02/520085602.db2.gz AHOGOIAYCDHDAD-AWEZNQCLSA-N 1 0 270.417 2.182 10 0 CEAERO CCC[NH2+][C@](C)(CCOc1c(C)cccc1C)C(N)=O ZINC000045509295 520106724 /nfs/dbraw/zinc/10/67/24/520106724.db2.gz MFBPUIBXGPMREM-MRXNPFEDSA-N 1 0 278.396 2.316 10 0 CEAERO CCN[C@@](C)(C[C@@H](C)[N@H+](C)[C@@H]1CCCC[C@@H]1C)C(N)=O ZINC000068635783 520139896 /nfs/dbraw/zinc/13/98/96/520139896.db2.gz RQTQPYZGSQNCMA-NHIYQJMISA-N 1 0 283.460 2.129 10 0 CEAERO CCN[C@@](C)(C[C@H](C)[N@H+](CC1CC1)C1CC1)C(=O)OC ZINC000068648320 520144093 /nfs/dbraw/zinc/14/40/93/520144093.db2.gz SBPRBYDRRARMNL-LRDDRELGSA-N 1 0 282.428 2.181 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N[C@@H](C)c1ccccc1F ZINC000061271476 520167374 /nfs/dbraw/zinc/16/73/74/520167374.db2.gz KYWCYDYSIRRKTN-MNOVXSKESA-N 1 0 252.333 2.391 10 0 CEAERO CC[NH2+][C@H](CC)[C@H](C)S(=O)(=O)c1ccccc1 ZINC000061702873 520184744 /nfs/dbraw/zinc/18/47/44/520184744.db2.gz AOOCPHTWYARREL-WCQYABFASA-N 1 0 255.383 2.237 10 0 CEAERO CC[NH2+][C@H](CCOc1ccc(C(C)C)c(C)c1)C(N)=O ZINC000062548861 520191242 /nfs/dbraw/zinc/19/12/42/520191242.db2.gz RWAAKGQBUFCQBL-OAHLLOKOSA-N 1 0 278.396 2.351 10 0 CEAERO CC[NH2+][C@H](COC)Cc1ccc(Br)cn1 ZINC000063025878 520198384 /nfs/dbraw/zinc/19/83/84/520198384.db2.gz PPBDXXDRNFAYMO-NSHDSACASA-N 1 0 273.174 2.011 10 0 CEAERO CC[NH2+][C@H]1CCCC[C@H]1S(=O)(=O)c1ccccc1 ZINC000061702653 520213461 /nfs/dbraw/zinc/21/34/61/520213461.db2.gz KTUAHBHUMDULOT-UONOGXRCSA-N 1 0 267.394 2.381 10 0 CEAERO CCCCC[C@@H]([NH3+])c1ccc2c(c1)n(C)c(=O)n2C ZINC000051392416 520291905 /nfs/dbraw/zinc/29/19/05/520291905.db2.gz NWHGIEIWSMCLCR-GFCCVEGCSA-N 1 0 261.369 2.457 10 0 CEAERO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[C@@H](C[NH3+])C1 ZINC000055162115 520419858 /nfs/dbraw/zinc/41/98/58/520419858.db2.gz MCGLSVJPUVIORZ-ZJUUUORDSA-N 1 0 266.307 2.162 10 0 CEAERO CCCCN(CC(F)(F)F)C(=O)[C@@H](C)C[NH2+]CC ZINC000061236561 520443968 /nfs/dbraw/zinc/44/39/68/520443968.db2.gz KBSNFBNYEGXHBE-JTQLQIEISA-N 1 0 268.323 2.423 10 0 CEAERO CCCOc1nc(N[C@@H](C)CC[NH+](C)C)ccc1N ZINC000049555352 520495072 /nfs/dbraw/zinc/49/50/72/520495072.db2.gz CURJVIGXUJFBTE-NSHDSACASA-N 1 0 266.389 2.205 10 0 CEAERO CC[NH+](CC)C[C@H](C)Nc1nc(Cl)nc(Cl)n1 ZINC000061519075 520735903 /nfs/dbraw/zinc/73/59/03/520735903.db2.gz VEVNNPRPDDLONU-ZETCQYMHSA-N 1 0 278.187 2.321 10 0 CEAERO CCOC(=O)[C@@H](CC[NH+]1CCC(C)CC1)NC(C)C ZINC000062439772 521058114 /nfs/dbraw/zinc/05/81/14/521058114.db2.gz VPEGEGLJPIWJAJ-CQSZACIVSA-N 1 0 270.417 2.038 10 0 CEAERO CCOC(=O)[C@@](C)(C[C@H](C)[NH+](CC1CC1)CC1CC1)NC ZINC000068648019 521149043 /nfs/dbraw/zinc/14/90/43/521149043.db2.gz FVQFYWBQVBRIQN-SUMWQHHRSA-N 1 0 296.455 2.428 10 0 CEAERO CCOC(=O)[C@@](C[N@H+](C)C1CCCCC1)(NC)C1CC1 ZINC000069095847 521163766 /nfs/dbraw/zinc/16/37/66/521163766.db2.gz HFAHPJTVSFBGSX-INIZCTEOSA-N 1 0 282.428 2.182 10 0 CEAERO CCCC[C@](CC)(C[NH2+]C)[C@H]1CCS(=O)(=O)C1 ZINC000054657755 521255863 /nfs/dbraw/zinc/25/58/63/521255863.db2.gz NJUUHNVXBBOFDJ-QWHCGFSZSA-N 1 0 261.431 2.227 10 0 CEAERO CCCc1nc(N(C)[C@H]2CCSC2)sc1C[NH3+] ZINC000054996979 521528846 /nfs/dbraw/zinc/52/88/46/521528846.db2.gz AQSURAOHUNKWBI-VIFPVBQESA-N 1 0 271.455 2.496 10 0 CEAERO CCCc1nc(N(CC)[C@@H](C)COC)sc1C[NH3+] ZINC000054998669 521531063 /nfs/dbraw/zinc/53/10/63/521531063.db2.gz OIPWCLDOFIMEMW-JTQLQIEISA-N 1 0 271.430 2.416 10 0 CEAERO C[NH+](C)C[C@@H]1CCCN1CC(=O)c1ccccc1F ZINC000061645638 521837112 /nfs/dbraw/zinc/83/71/12/521837112.db2.gz WTNWSDXJRVFGRM-LBPRGKRZSA-N 1 0 264.344 2.034 10 0 CEAERO CC[C@@H](C)N(CC)c1c(C[NH2+]CCOC)c(C)nn1C ZINC000062735438 522083989 /nfs/dbraw/zinc/08/39/89/522083989.db2.gz LZWFUDNCZGNEDS-GFCCVEGCSA-N 1 0 282.432 2.089 10 0 CEAERO C[NH2+]Cc1nccn1Cc1cccc(Br)c1 ZINC000051004659 522154978 /nfs/dbraw/zinc/15/49/78/522154978.db2.gz AFUUPKZWTJAVPR-UHFFFAOYSA-N 1 0 280.169 2.413 10 0 CEAERO C[NH2+][C@@H](C)c1cnc(N2CCCSCC2)s1 ZINC000054909480 522336841 /nfs/dbraw/zinc/33/68/41/522336841.db2.gz UKOMALUOYIYKDS-VIFPVBQESA-N 1 0 257.428 2.367 10 0 CEAERO C[NH2+][C@@](CS[C@H]1CCC[C@@H](C)C1)(C(N)=O)C1CC1 ZINC000069189610 522432891 /nfs/dbraw/zinc/43/28/91/522432891.db2.gz WBUDTNWFZJVPTR-SCDSUCTJSA-N 1 0 270.442 2.152 10 0 CEAERO C[C@H]([NH2+]CCn1cncn1)c1ccc(Cl)s1 ZINC000167006508 533876174 /nfs/dbraw/zinc/87/61/74/533876174.db2.gz UOCBJOKQDOYIDN-QMMMGPOBSA-N 1 0 256.762 2.344 10 0 CEAERO C[C@@H](OCc1ccccc1)C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000404536670 533912007 /nfs/dbraw/zinc/91/20/07/533912007.db2.gz HGLXCQNHEUKIGX-UKRRQHHQSA-N 1 0 290.407 2.096 10 0 CEAERO C[C@H](Nc1ccc(N2CCCCC2)nc1)[C@H]1CC[NH2+]C1 ZINC000400359864 534025723 /nfs/dbraw/zinc/02/57/23/534025723.db2.gz CRHPZHKVFDCHFK-KBPBESRZSA-N 1 0 274.412 2.482 10 0 CEAERO CCC[NH2+][C@]1(CO)CCC[C@@H](n2nc(CC)nc2CC)C1 ZINC000093784407 517589817 /nfs/dbraw/zinc/58/98/17/517589817.db2.gz GIRLBXGCTMJWCE-CZUORRHYSA-N 1 0 294.443 2.249 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccnc([C@H]2CSCCS2)n1 ZINC000094500131 517771405 /nfs/dbraw/zinc/77/14/05/517771405.db2.gz BNXYXEMPHIMTFP-MWLCHTKSSA-N 1 0 269.439 2.278 10 0 CEAERO CC[C@@H]([NH3+])[C@@](C)(CC(=O)OC)c1ccc2c(c1)OCCO2 ZINC000097432039 517772264 /nfs/dbraw/zinc/77/22/64/517772264.db2.gz DQAQJHTZQIKNDG-ZBFHGGJFSA-N 1 0 293.363 2.016 10 0 CEAERO CC[C@H](C[NH3+])C(=O)Nc1cc(Cl)ccc1C(=O)OC ZINC000087517645 517812886 /nfs/dbraw/zinc/81/28/86/517812886.db2.gz QXXRKRBEESLFHQ-MRVPVSSYSA-N 1 0 284.743 2.050 10 0 CEAERO CSCCc1nc([C@]2([NH3+])CCC[C@H](C)C2)no1 ZINC000070438562 518174170 /nfs/dbraw/zinc/17/41/70/518174170.db2.gz XIWOSEHZMBDUFG-CABZTGNLSA-N 1 0 255.387 2.339 10 0 CEAERO Cc1ccc([C@H]([NH3+])c2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000051392371 518189798 /nfs/dbraw/zinc/18/97/98/518189798.db2.gz FHJTUFNNYAUKCZ-INIZCTEOSA-N 1 0 281.359 2.234 10 0 CEAERO CC(C)(C(=O)N[C@H]1CCCC[NH2+]C1)c1ccccc1 ZINC000070120479 518531290 /nfs/dbraw/zinc/53/12/90/518531290.db2.gz LLIRVDQPCKIAHV-AWEZNQCLSA-N 1 0 260.381 2.223 10 0 CEAERO CC(C)(C)C1CCN(C(=O)c2ccc(NN)[nH+]c2)CC1 ZINC000051093828 518607056 /nfs/dbraw/zinc/60/70/56/518607056.db2.gz AEBYFPHJKQQSDZ-UHFFFAOYSA-N 1 0 276.384 2.266 10 0 CEAERO CC(C)(C)[NH2+]Cc1c(N2CCOCC2)nc2ccccn21 ZINC000062734108 518762497 /nfs/dbraw/zinc/76/24/97/518762497.db2.gz MDAMZOHBFZJAKG-UHFFFAOYSA-N 1 0 288.395 2.059 10 0 CEAERO CC(C)(C)[NH2+]Cc1cc(F)c(-n2cncn2)c(F)c1 ZINC000062738519 518764450 /nfs/dbraw/zinc/76/44/50/518764450.db2.gz ZVPMCEYNQWPPCA-UHFFFAOYSA-N 1 0 266.295 2.434 10 0 CEAERO CC(C)(C)[NH2+]Cc1nnnn1[C@@H]1CCc2ccccc2C1 ZINC000054746426 518770054 /nfs/dbraw/zinc/77/00/54/518770054.db2.gz ZSMKYAGZEHKWLS-CQSZACIVSA-N 1 0 285.395 2.291 10 0 CEAERO CC(C)(C)[NH2+]Cc1nnnn1Cc1cccc(Cl)c1 ZINC000054746596 518770477 /nfs/dbraw/zinc/77/04/77/518770477.db2.gz LJJYICHLDPEZPD-UHFFFAOYSA-N 1 0 279.775 2.263 10 0 CEAERO CC(C)(O)C[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000370310245 519355164 /nfs/dbraw/zinc/35/51/64/519355164.db2.gz XYLMOKWPJBHYEQ-ZDUSSCGKSA-N 1 0 277.412 2.170 10 0 CEAERO CC(C)C[C@H]([NH3+])[C@@H](O)c1cnn(-c2ccccc2)c1 ZINC000054929521 519369361 /nfs/dbraw/zinc/36/93/61/519369361.db2.gz HNIAKCMXDZNEOV-GJZGRUSLSA-N 1 0 259.353 2.279 10 0 CEAERO CC(C)CC[C@@H]([NH3+])c1ccc2c(c1)n(C)c(=O)n2C ZINC000051392408 519683125 /nfs/dbraw/zinc/68/31/25/519683125.db2.gz LSWXSMSTVCSWHX-GFCCVEGCSA-N 1 0 261.369 2.313 10 0 CEAERO CC(C)CN1C(=O)CC[C@H]([NH3+])[C@H]1c1ccc2c(c1)CCO2 ZINC000070292681 519719590 /nfs/dbraw/zinc/71/95/90/519719590.db2.gz NALWIZVLKJNKQJ-WMLDXEAASA-N 1 0 288.391 2.268 10 0 CEAERO CC(C)C[NH+]1CCN(CC(=O)c2cc(F)ccc2F)CC1 ZINC000055080136 519725128 /nfs/dbraw/zinc/72/51/28/519725128.db2.gz DVOTWBFRGUFWSR-UHFFFAOYSA-N 1 0 296.361 2.421 10 0 CEAERO CC(C)C[NH+]1CCN(C[C@@H]2C[C@@H](C)CCC2=O)CC1 ZINC000055081608 519726366 /nfs/dbraw/zinc/72/63/66/519726366.db2.gz PHYGCXVZMCNKFS-GJZGRUSLSA-N 1 0 266.429 2.265 10 0 CEAERO CC(C)[NH2+]Cc1nnc(-c2ccc3c(c2)OCCO3)o1 ZINC000050615963 519729422 /nfs/dbraw/zinc/72/94/22/519729422.db2.gz WKCIXOYDAALRBQ-UHFFFAOYSA-N 1 0 275.308 2.006 10 0 CEAERO CC(C)[NH2+]Cc1nnnn1C12CC3CC(CC(C3)C1)C2 ZINC000054745294 519729733 /nfs/dbraw/zinc/72/97/33/519729733.db2.gz VHZYKMKPJQBIGD-UHFFFAOYSA-N 1 0 275.400 2.096 10 0 CEAERO CC(C)C[NH2+]CC1CCN(c2ccnc(N(C)C)n2)CC1 ZINC000068690230 519743338 /nfs/dbraw/zinc/74/33/38/519743338.db2.gz OJAYIPPVGPHVAM-UHFFFAOYSA-N 1 0 291.443 2.005 10 0 CEAERO CC(C)C[NH2+]Cc1ccc(O[C@H]2CCOC2=O)cc1 ZINC000062728945 519747423 /nfs/dbraw/zinc/74/74/23/519747423.db2.gz LIOHIGSZLLJCLP-AWEZNQCLSA-N 1 0 263.337 2.127 10 0 CEAERO CC(C)C[NH2+]Cc1cccnc1N1C[C@@H](C)O[C@H](C)C1 ZINC000051399674 519748194 /nfs/dbraw/zinc/74/81/94/519748194.db2.gz CBOMAHJIRHHUAP-ZIAGYGMSSA-N 1 0 277.412 2.441 10 0 CEAERO CC(C)C[NH2+][C@@H](C(N)=O)c1cccc2cccnc21 ZINC000069503103 519749383 /nfs/dbraw/zinc/74/93/83/519749383.db2.gz SMDVGNGHNJVLHB-CQSZACIVSA-N 1 0 257.337 2.007 10 0 CEAERO CC(C)C[C@@H](C[NH+](C)C)Nc1ccnc(C(=O)N(C)C)c1 ZINC000049558162 519776298 /nfs/dbraw/zinc/77/62/98/519776298.db2.gz IFBUAIIJGRRVFM-AWEZNQCLSA-N 1 0 292.427 2.172 10 0 CEAERO CC(C)Oc1ccccc1NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000062891606 519784809 /nfs/dbraw/zinc/78/48/09/519784809.db2.gz LAKLMGVSQPPQNW-OAHLLOKOSA-N 1 0 262.353 2.412 10 0 CEAERO CC(C)[C@@H](C[NH2+]C1CC1)N1CCN(c2nccs2)CC1 ZINC000052417597 519794786 /nfs/dbraw/zinc/79/47/86/519794786.db2.gz DQCBQGLWCJMEFZ-CQSZACIVSA-N 1 0 294.468 2.042 10 0 CEAERO CC(C)[C@H](C[NH+](C)C)Nc1cc2c(cc1N)CCC(=O)N2 ZINC000049194805 519815043 /nfs/dbraw/zinc/81/50/43/519815043.db2.gz YSRORUHVMTXRHJ-HNNXBMFYSA-N 1 0 290.411 2.152 10 0 CEAERO CC(C)[C@H]1CCC(=O)[C@@H](C[N@H+](CCO)C2CC2)C1 ZINC000054559350 519824335 /nfs/dbraw/zinc/82/43/35/519824335.db2.gz FLBZEYIXOXGGKN-QWHCGFSZSA-N 1 0 253.386 2.085 10 0 CEAERO CC(C)[C@H]1CN(Cc2ncccn2)[C@H](C(C)(C)C)C[NH2+]1 ZINC000068703674 519826988 /nfs/dbraw/zinc/82/69/88/519826988.db2.gz JYCIEXZXLXKJKA-KGLIPLIRSA-N 1 0 276.428 2.321 10 0 CEAERO CC(C)c1ccc(NC(=O)CN2CC[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000070147452 519837010 /nfs/dbraw/zinc/83/70/10/519837010.db2.gz UJDNTVQGVLWDRI-CJNGLKHVSA-N 1 0 289.423 2.418 10 0 CEAERO CCC1CCN(C(=O)[C@@H]2C[C@H]([NH3+])CC[C@@H]2C)CC1 ZINC000055134690 519858494 /nfs/dbraw/zinc/85/84/94/519858494.db2.gz JSUOYWJXGROBQG-IACUBPJLSA-N 1 0 252.402 2.399 10 0 CEAERO CCC[NH+]1CCN(Cc2ccc(NCC)nc2)CC1 ZINC000050792102 519859156 /nfs/dbraw/zinc/85/91/56/519859156.db2.gz HGAVRNIPDOKNFH-UHFFFAOYSA-N 1 0 262.401 2.041 10 0 CEAERO CCCN1CC[NH+]([C@@H]2C[C@H](C(C)C)CC[C@@H]2O)CC1 ZINC000054558122 519859440 /nfs/dbraw/zinc/85/94/40/519859440.db2.gz QOHPMNYDPXIIHD-OAGGEKHMSA-N 1 0 268.445 2.200 10 0 CEAERO CCCC1CC[NH+](CCC[C@](C)(N)C(=O)OC)CC1 ZINC000050905756 519900715 /nfs/dbraw/zinc/90/07/15/519900715.db2.gz FXKCAANBPNTPAL-HNNXBMFYSA-N 1 0 270.417 2.169 10 0 CEAERO CCCC1CC[NH+](C[C@](C)(NC(C)C)C(=O)OC)CC1 ZINC000050905674 519902128 /nfs/dbraw/zinc/90/21/28/519902128.db2.gz VUOCNSYGWSYDNL-INIZCTEOSA-N 1 0 284.444 2.428 10 0 CEAERO CCCC1CC[NH+](C[C@@](C)(NCC)C(=O)OC)CC1 ZINC000050905653 519902263 /nfs/dbraw/zinc/90/22/63/519902263.db2.gz OGVBSJSNYADUMF-OAHLLOKOSA-N 1 0 270.417 2.040 10 0 CEAERO CCCNC(=O)c1ccccc1NC(=O)[C@H](C)C[NH2+]CC ZINC000061228361 519905354 /nfs/dbraw/zinc/90/53/54/519905354.db2.gz KOBIPRDMBRVLED-GFCCVEGCSA-N 1 0 291.395 2.011 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1ccccc1-c1nnc(C)o1 ZINC000061290510 519908447 /nfs/dbraw/zinc/90/84/47/519908447.db2.gz DYTARDJPWZMQRC-UHFFFAOYSA-N 1 0 288.351 2.372 10 0 CEAERO CC[NH2+]CCC(=O)NCc1ccccc1C(F)(F)F ZINC000061626844 519916772 /nfs/dbraw/zinc/91/67/72/519916772.db2.gz BAVJEFZUGJOLNX-UHFFFAOYSA-N 1 0 274.286 2.321 10 0 CEAERO CC[NH2+]CCC(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000061292169 519917900 /nfs/dbraw/zinc/91/79/00/519917900.db2.gz KLLNXOZPYSDKEC-UHFFFAOYSA-N 1 0 258.325 2.015 10 0 CEAERO CC[NH2+]CCC(=O)Nc1ccccc1COCC ZINC000061289938 519918490 /nfs/dbraw/zinc/91/84/90/519918490.db2.gz TYRVJFPCOGRZEM-UHFFFAOYSA-N 1 0 250.342 2.161 10 0 CEAERO CC[NH2+]CCC(=O)Nc1ccccc1C(=O)N[C@@H](C)CC ZINC000061287981 519918535 /nfs/dbraw/zinc/91/85/35/519918535.db2.gz HLMNMNXWDGSBKM-LBPRGKRZSA-N 1 0 291.395 2.153 10 0 CEAERO CC[NH2+]CCCc1nnc(-c2cc(OC)cc(OC)c2)o1 ZINC000050616888 519920896 /nfs/dbraw/zinc/92/08/96/519920896.db2.gz PORLKIULXKEYQE-UHFFFAOYSA-N 1 0 291.351 2.296 10 0 CEAERO CC[NH2+]CCN(CC)Cc1cc(C)ccc1OC ZINC000050705037 519920981 /nfs/dbraw/zinc/92/09/81/519920981.db2.gz IBJYFCQPLZBPKV-UHFFFAOYSA-N 1 0 250.386 2.435 10 0 CEAERO CCC[NH2+]C[C@@H](O)c1cc2c(cc1OCC)C[C@@H](C)O2 ZINC000055028275 519921939 /nfs/dbraw/zinc/92/19/39/519921939.db2.gz VGUFUEXUPJGLMI-BXUZGUMPSA-N 1 0 279.380 2.442 10 0 CEAERO CCC[NH2+]C[C@@H](c1ccccc1)N(CCOC)CCOC ZINC000052571521 519923111 /nfs/dbraw/zinc/92/31/11/519923111.db2.gz VQLFCSKERUJZPP-KRWDZBQOSA-N 1 0 294.439 2.322 10 0 CEAERO CC(C)n1c(S[C@H](C[NH3+])c2ccc(F)cc2)n[nH]c1=O ZINC000061595218 519923555 /nfs/dbraw/zinc/92/35/55/519923555.db2.gz IUAJJDXTUOYZSF-LLVKDONJSA-N 1 0 296.371 2.084 10 0 CEAERO CC(C)n1c(S[C@H]([C@H](C)[NH3+])C(C)(C)C)n[nH]c1=O ZINC000061595216 519923968 /nfs/dbraw/zinc/92/39/68/519923968.db2.gz UVKWJGXPQDPVLR-DTWKUNHWSA-N 1 0 272.418 2.006 10 0 CEAERO CCC[NH2+]C[C@@H]1CC[C@H](COC[C@@H]2CCCCO2)O1 ZINC000052605225 519927866 /nfs/dbraw/zinc/92/78/66/519927866.db2.gz TXGXKHVUSVLIPI-SOUVJXGZSA-N 1 0 271.401 2.119 10 0 CEAERO CC[NH2+]C[C@@H](C(C)C)n1nnc(-c2ccccc2)n1 ZINC000052574729 519932214 /nfs/dbraw/zinc/93/22/14/519932214.db2.gz YZNQXGLDAHZQBO-ZDUSSCGKSA-N 1 0 259.357 2.147 10 0 CEAERO CCC[NH2+]C[C@H](CC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000052950816 519932379 /nfs/dbraw/zinc/93/23/79/519932379.db2.gz KVOZKBPSYAYKJS-STQMWFEESA-N 1 0 261.431 2.083 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N[C@H](C)c1cccc(NC(C)=O)c1 ZINC000061266144 519937007 /nfs/dbraw/zinc/93/70/07/519937007.db2.gz VLSJYHYMADUREF-VXGBXAGGSA-N 1 0 291.395 2.068 10 0 CEAERO 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278.396 2.314 10 0 CEAERO CC[NH2+][C@@](C)(C[C@@H](C)Oc1ccc2c(c1)CCC2)C(N)=O ZINC000068654503 520142867 /nfs/dbraw/zinc/14/28/67/520142867.db2.gz JZYJPYUZKXMOJR-PXAZEXFGSA-N 1 0 290.407 2.186 10 0 CEAERO CCN[C@@](C[N@H+](CC)[C@@H](C)CC)(C(=O)OCC)C1CC1 ZINC000069097611 520151321 /nfs/dbraw/zinc/15/13/21/520151321.db2.gz BPMIYXMKQHLHEL-XJKSGUPXSA-N 1 0 284.444 2.428 10 0 CEAERO CCCNc1ccc(C)cc1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000053001900 520155012 /nfs/dbraw/zinc/15/50/12/520155012.db2.gz JAXBXWNHYWTVQG-AWEZNQCLSA-N 1 0 289.423 2.498 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N(CCOC)Cc1cccs1 ZINC000061271912 520163779 /nfs/dbraw/zinc/16/37/79/520163779.db2.gz DVNKFCMTBOOEOF-GFCCVEGCSA-N 1 0 284.425 2.111 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)NCCc1c[nH]c2ccccc12 ZINC000061273866 520165894 /nfs/dbraw/zinc/16/58/94/520165894.db2.gz WIMBOPSEFUTWJA-GFCCVEGCSA-N 1 0 273.380 2.215 10 0 CEAERO CCCCC[N@H+](CC[C@@H](NCC)C(=O)OC)C(C)C ZINC000062463289 520175747 /nfs/dbraw/zinc/17/57/47/520175747.db2.gz CXIKYUIPMZYKBH-CQSZACIVSA-N 1 0 272.433 2.428 10 0 CEAERO CC[NH2+][C@H](C)Cc1nc2cc(OC)c(OC)cc2[nH]1 ZINC000061181984 520175791 /nfs/dbraw/zinc/17/57/91/520175791.db2.gz KFHHOARNTHLGTK-SECBINFHSA-N 1 0 263.341 2.121 10 0 CEAERO CCN(C)C(=O)COc1ccccc1C[NH2+]C(C)(C)C ZINC000062729246 520178029 /nfs/dbraw/zinc/17/80/29/520178029.db2.gz KYANISUPNHRELI-UHFFFAOYSA-N 1 0 278.396 2.432 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(S(=O)(=O)N[C@H]2C[C@@H]2C)cc1 ZINC000052295370 520179953 /nfs/dbraw/zinc/17/99/53/520179953.db2.gz BSQUBTVIWKYNRR-WDMOLILDSA-N 1 0 282.409 2.044 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(S(=O)(=O)NC2CCC2)cc1 ZINC000052212669 520180062 /nfs/dbraw/zinc/18/00/62/520180062.db2.gz REFUBGBHHMZOMJ-LLVKDONJSA-N 1 0 282.409 2.188 10 0 CEAERO CCN[C@H](CC[N@H+](C)C1CCCCCC1)C(=O)OC ZINC000062451322 520185528 /nfs/dbraw/zinc/18/55/28/520185528.db2.gz OBXLLLJXUGLZSA-CQSZACIVSA-N 1 0 270.417 2.182 10 0 CEAERO CC[NH2+][C@H](CCN1CC[C@H](O)C1)c1ccccc1C ZINC000061711878 520189416 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CC[NH2+][C@](CN(CC)c1ccc(C)cc1)(C(N)=O)C1CC1 ZINC000069231309 520247419 /nfs/dbraw/zinc/24/74/19/520247419.db2.gz XRPPLUUFSSPKQA-KRWDZBQOSA-N 1 0 289.423 2.065 10 0 CEAERO CCCO[C@H]1CCCN(C(=O)[C@]2(CC)CCC[NH2+]C2)C1 ZINC000062858869 520283981 /nfs/dbraw/zinc/28/39/81/520283981.db2.gz HZDQLXURKKVSFP-GOEBONIOSA-N 1 0 282.428 2.184 10 0 CEAERO CCCOc1ccc([C@@H](CS(C)(=O)=O)[NH2+]CC)cc1 ZINC000054930426 520417818 /nfs/dbraw/zinc/41/78/18/520417818.db2.gz QNGMEXXLHWEEBU-CQSZACIVSA-N 1 0 285.409 2.171 10 0 CEAERO CCCOc1ccc([C@@H]([NH3+])Cn2nc(C)ccc2=O)cc1 ZINC000061810415 520418077 /nfs/dbraw/zinc/41/80/77/520418077.db2.gz VJCRVTFTWOKXKY-HNNXBMFYSA-N 1 0 287.363 2.041 10 0 CEAERO CCN(CC(F)(F)F)C(=O)[C@H]1CC[C@H]([NH3+])C[C@@H]1C ZINC000055137086 520419484 /nfs/dbraw/zinc/41/94/84/520419484.db2.gz BVRRYEVBNRIGCF-GUBZILKMSA-N 1 0 266.307 2.161 10 0 CEAERO CCCOc1cccc([C@H]([NH2+][C@@H](C)CC)C(N)=O)c1 ZINC000052921487 520469535 /nfs/dbraw/zinc/46/95/35/520469535.db2.gz KVFJVCHQBLBFTH-FZMZJTMJSA-N 1 0 264.369 2.390 10 0 CEAERO CCN(CC)C(=O)[C@@H](C[NH3+])Cc1ccc(F)cc1C ZINC000050568827 520523211 /nfs/dbraw/zinc/52/32/11/520523211.db2.gz OIBABMJQUPJFAD-CYBMUJFWSA-N 1 0 266.360 2.120 10 0 CEAERO CCCC[NH+]1CCC(NC(=O)c2ccc(N)c(F)c2)CC1 ZINC000063010144 520574463 /nfs/dbraw/zinc/57/44/63/520574463.db2.gz FRLVCOZMOVBZBD-UHFFFAOYSA-N 1 0 293.386 2.402 10 0 CEAERO CCOC(=O)CC(=O)C[N@H+](C)C1CCCCCC1 ZINC000068813730 520586376 /nfs/dbraw/zinc/58/63/76/520586376.db2.gz KRGJHAJJDFGRAH-UHFFFAOYSA-N 1 0 255.358 2.163 10 0 CEAERO CCOc1cc(C[NH2+]C)ccc1OC1CCOCC1 ZINC000069288656 520708233 /nfs/dbraw/zinc/70/82/33/520708233.db2.gz JJOJXIFVTSZVCG-UHFFFAOYSA-N 1 0 265.353 2.363 10 0 CEAERO CCC[C@@H](C[NH2+]C1CC1)Cc1nnnn1-c1ccccc1 ZINC000052970592 520709802 /nfs/dbraw/zinc/70/98/02/520709802.db2.gz KPJDADCARCPEHE-CYBMUJFWSA-N 1 0 285.395 2.373 10 0 CEAERO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(NC)cc1 ZINC000050780626 520718515 /nfs/dbraw/zinc/71/85/15/520718515.db2.gz UMIRSHVYGGYIDN-GFCCVEGCSA-N 1 0 263.385 2.188 10 0 CEAERO CCC[C@@](C)([NH3+])C(=O)Nc1ccc(OC)c(C)c1 ZINC000049531966 520921198 /nfs/dbraw/zinc/92/11/98/520921198.db2.gz BYZJIVIPWNCPQH-CQSZACIVSA-N 1 0 250.342 2.460 10 0 CEAERO CCC[C@@]1(C(=O)NCc2cccc(F)c2)CC[NH2+]C1 ZINC000062890063 520943320 /nfs/dbraw/zinc/94/33/20/520943320.db2.gz ONOQTIBUPNTFKJ-OAHLLOKOSA-N 1 0 264.344 2.222 10 0 CEAERO CC1CCC(NC(=O)[C@H]2CCC[C@H](C)[C@@H]2[NH3+])CC1 ZINC000055124492 520951140 /nfs/dbraw/zinc/95/11/40/520951140.db2.gz MKIZLLRDJKFUFJ-NMHYENAYSA-N 1 0 252.402 2.445 10 0 CEAERO CCOC(=O)[C@@H](C)Oc1ccc(Cl)cc1C[NH3+] ZINC000049954659 521032449 /nfs/dbraw/zinc/03/24/49/521032449.db2.gz CDKGYBYTGLPQAR-MRVPVSSYSA-N 1 0 257.717 2.129 10 0 CEAERO CCCC[C@@H]([NH2+]C)c1ccc2c(c1)n(C)c(=O)n2C ZINC000051392498 521098608 /nfs/dbraw/zinc/09/86/08/521098608.db2.gz SRFXRFFBFIGVLD-GFCCVEGCSA-N 1 0 261.369 2.328 10 0 CEAERO CCC[C@H](NC(=O)CN1CCC[NH2+]CC1)c1cccs1 ZINC000061274197 521124568 /nfs/dbraw/zinc/12/45/68/521124568.db2.gz LUSIMCWLICDAQE-ZDUSSCGKSA-N 1 0 295.452 2.001 10 0 CEAERO CCOC(=O)[C@@](C)(C[C@H](C)[NH+]1CCC(CC)CC1)NC ZINC000068638345 521149583 /nfs/dbraw/zinc/14/95/83/521149583.db2.gz AOOZIKFDSMKNFQ-XJKSGUPXSA-N 1 0 284.444 2.428 10 0 CEAERO CCCC[C@H]([NH3+])C(=O)Nc1ccc(OC)c(C)c1 ZINC000049532037 521214158 /nfs/dbraw/zinc/21/41/58/521214158.db2.gz HJJJXGSLNADROZ-LBPRGKRZSA-N 1 0 250.342 2.460 10 0 CEAERO CCC[C@H]1CN(Cc2cnn(C)c2)[C@H](C(C)(C)C)C[NH2+]1 ZINC000068701317 521220646 /nfs/dbraw/zinc/22/06/46/521220646.db2.gz ZVAMEEIGCUGKAH-GJZGRUSLSA-N 1 0 278.444 2.409 10 0 CEAERO CCC[C@](C)(CCS(C)(=O)=O)C[NH2+]CC(C)C ZINC000054657341 521266445 /nfs/dbraw/zinc/26/64/45/521266445.db2.gz RYWVCNFPYHQLRZ-CYBMUJFWSA-N 1 0 263.447 2.473 10 0 CEAERO CCCCc1ccc(NC(=O)CN2CCC[NH2+]CC2)cc1 ZINC000061269538 521276403 /nfs/dbraw/zinc/27/64/03/521276403.db2.gz DEEGDGKSLDGKMD-UHFFFAOYSA-N 1 0 289.423 2.263 10 0 CEAERO CCC[C@]1(C(=O)N(CCOC)CC(C)C)CCC[NH2+]C1 ZINC000062856912 521297408 /nfs/dbraw/zinc/29/74/08/521297408.db2.gz HFGRCZDSYZEFID-INIZCTEOSA-N 1 0 284.444 2.287 10 0 CEAERO CCC(C)(C)N(C)S(=O)(=O)c1ccc(C[NH3+])s1 ZINC000069456835 521307571 /nfs/dbraw/zinc/30/75/71/521307571.db2.gz PXDSWRSVNCSCPR-UHFFFAOYSA-N 1 0 276.427 2.016 10 0 CEAERO CCOc1cccc(-c2nc(C)cc(CC[NH3+])n2)c1 ZINC000054833923 521313324 /nfs/dbraw/zinc/31/33/24/521313324.db2.gz WVAXFBJHXVDRNG-UHFFFAOYSA-N 1 0 257.337 2.352 10 0 CEAERO CCOC(=O)[C@](C)(CCC[NH+]1Cc2ccccc2C1)NC ZINC000050912266 521319078 /nfs/dbraw/zinc/31/90/78/521319078.db2.gz CWUKWXKEFOXLRR-KRWDZBQOSA-N 1 0 290.407 2.324 10 0 CEAERO CCOC(=O)[C@](C[N@H+](C)[C@@H](C)C(C)C)(NC1CC1)C1CC1 ZINC000069099609 521338148 /nfs/dbraw/zinc/33/81/48/521338148.db2.gz NYRLMXHFBHGVTJ-SUMWQHHRSA-N 1 0 296.455 2.427 10 0 CEAERO CCC(C)(C)[NH2+]CCn1nnc(-c2ccccc2)n1 ZINC000053500369 521353099 /nfs/dbraw/zinc/35/30/99/521353099.db2.gz XCBXBKRGIPMOFY-UHFFFAOYSA-N 1 0 259.357 2.118 10 0 CEAERO CCC(CC)(CO)[NH2+]C[C@H](O)c1cc(F)ccc1F ZINC000053070539 521458294 /nfs/dbraw/zinc/45/82/94/521458294.db2.gz PWDHDGPLZPSPBP-ZDUSSCGKSA-N 1 0 273.323 2.139 10 0 CEAERO CCOC(=O)c1ccc(N2CCCC[C@@H]2CC[NH2+]C)nc1 ZINC000070194078 521487331 /nfs/dbraw/zinc/48/73/31/521487331.db2.gz YTDYCJXKQCMZCS-CQSZACIVSA-N 1 0 291.395 2.227 10 0 CEAERO CCC(CC)C[N@H+](CC)C[C@](NC1CC1)(C(N)=O)C1CC1 ZINC000069132125 521519429 /nfs/dbraw/zinc/51/94/29/521519429.db2.gz QQQLLVCNGDNMPU-QGZVFWFLSA-N 1 0 295.471 2.131 10 0 CEAERO CCC(CC)N(CCOC)C(=O)C1CCC(C[NH3+])CC1 ZINC000055161249 521552792 /nfs/dbraw/zinc/55/27/92/521552792.db2.gz DEJCNUGRTOQEAR-UHFFFAOYSA-N 1 0 284.444 2.415 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc3c2NCCC3)C1 ZINC000050957961 521624128 /nfs/dbraw/zinc/62/41/28/521624128.db2.gz IQDCQXLJLCKIQP-CQSZACIVSA-N 1 0 287.407 2.259 10 0 CEAERO CCCN(CCC[NH3+])C(=O)c1ccc(OC)c(F)c1 ZINC000061668525 521652900 /nfs/dbraw/zinc/65/29/00/521652900.db2.gz OJRKDGGRVYUVKG-UHFFFAOYSA-N 1 0 268.332 2.035 10 0 CEAERO CCCN(CC[NH2+]C)c1ncnc2ccsc21 ZINC000053707375 521661069 /nfs/dbraw/zinc/66/10/69/521661069.db2.gz QCVSCYLORHQHPM-UHFFFAOYSA-N 1 0 250.371 2.127 10 0 CEAERO CCC1(C)CC[NH+]([C@H](C)C[C@@](C)(NC2CC2)C(N)=O)CC1 ZINC000068645271 521678239 /nfs/dbraw/zinc/67/82/39/521678239.db2.gz LPJGSSNGDKEBLU-CXAGYDPISA-N 1 0 295.471 2.273 10 0 CEAERO CCC1(CC)CC[NH+](CCC[C@@](C)([NH3+])C(=O)[O-])CC1 ZINC000062956459 521687497 /nfs/dbraw/zinc/68/74/97/521687497.db2.gz SXSIQKAQMJQYBD-CQSZACIVSA-N 1 0 270.417 2.471 10 0 CEAERO CCN1CC[NH+]([C@@H](CC(N)=S)c2ccccc2)CC1 ZINC000055024539 521692247 /nfs/dbraw/zinc/69/22/47/521692247.db2.gz YTYBFYRZLBOEST-AWEZNQCLSA-N 1 0 277.437 2.041 10 0 CEAERO CCS(=O)(=O)c1ccccc1N[C@@H]1CCCC[NH2+]C1 ZINC000070121091 521693757 /nfs/dbraw/zinc/69/37/57/521693757.db2.gz SYYAUXKSIAAOKY-GFCCVEGCSA-N 1 0 282.409 2.034 10 0 CEAERO CCSc1ccc(C(=O)N[C@H]2CCC[N@H+](CC)C2)cn1 ZINC000069392289 521735243 /nfs/dbraw/zinc/73/52/43/521735243.db2.gz ZJEYJEWWDSIVHG-ZDUSSCGKSA-N 1 0 293.436 2.408 10 0 CEAERO CCNC(=O)CCOc1cc(F)ccc1[C@@H](C)[NH2+]C ZINC000062746278 521735903 /nfs/dbraw/zinc/73/59/03/521735903.db2.gz DXBJCYWHYAISSA-SNVBAGLBSA-N 1 0 268.332 2.011 10 0 CEAERO CCNC(=O)CCOc1ccccc1C[NH2+]CC(C)C ZINC000062729475 521736013 /nfs/dbraw/zinc/73/60/13/521736013.db2.gz NIWBDOFAQRMSFZ-UHFFFAOYSA-N 1 0 278.396 2.337 10 0 CEAERO CCNC(=O)CCOc1ccc([C@H](C)[NH2+]CC)cc1 ZINC000051757118 521736048 /nfs/dbraw/zinc/73/60/48/521736048.db2.gz HONUDUBCPJSVGA-LBPRGKRZSA-N 1 0 264.369 2.262 10 0 CEAERO C[NH+](C)CCNC(=O)[C@H](Cc1ccncc1)c1ccccc1 ZINC000062065754 521782119 /nfs/dbraw/zinc/78/21/19/521782119.db2.gz OELBOONJJGIXMP-QGZVFWFLSA-N 1 0 297.402 2.086 10 0 CEAERO CNC(=O)c1ccc(C[NH2+][C@]2(CO)CCC[C@@H](C)C2)cc1 ZINC000053117332 521823072 /nfs/dbraw/zinc/82/30/72/521823072.db2.gz FHSXSJCJPBMTTF-CXAGYDPISA-N 1 0 290.407 2.077 10 0 CEAERO COCC[C@@H]([NH3+])c1nc2cc(Br)ccc2n1C ZINC000052785247 521831200 /nfs/dbraw/zinc/83/12/00/521831200.db2.gz DYTNSOHWQJRQTK-SECBINFHSA-N 1 0 298.184 2.372 10 0 CEAERO COCC[C@@H]([NH3+])CN1CCc2sccc2[C@@H]1C ZINC000052810966 521831653 /nfs/dbraw/zinc/83/16/53/521831653.db2.gz SNFDCAAZROHYFF-WDEREUQCSA-N 1 0 254.399 2.031 10 0 CEAERO COC(=O)c1cc(CN[C@H](C[NH+](C)C)C(C)C)oc1C ZINC000049198840 521859743 /nfs/dbraw/zinc/85/97/43/521859743.db2.gz UCZHSSIYIWICOR-CQSZACIVSA-N 1 0 282.384 2.050 10 0 CEAERO CN(C)C[C@H]1CCC[N@@H+]1CCCOc1cccc(N)c1 ZINC000061641799 521868957 /nfs/dbraw/zinc/86/89/57/521868957.db2.gz RVSKSTBQDQTROF-OAHLLOKOSA-N 1 0 277.412 2.064 10 0 CEAERO COc1cc(-c2nccc(CC[NH3+])n2)cc(Cl)c1OC ZINC000054833726 521910161 /nfs/dbraw/zinc/91/01/61/521910161.db2.gz PXJAKXHSAFEJAQ-UHFFFAOYSA-N 1 0 293.754 2.315 10 0 CEAERO C[NH2+]CC1(CN(C)c2cccc(OC)c2)CCOCC1 ZINC000052182708 521968157 /nfs/dbraw/zinc/96/81/57/521968157.db2.gz RZDUDOOWBQEQNI-UHFFFAOYSA-N 1 0 278.396 2.148 10 0 CEAERO C[NH2+]CC1([C@H]2CS(=O)(=O)c3ccccc32)CCCC1 ZINC000054655354 521971007 /nfs/dbraw/zinc/97/10/07/521971007.db2.gz PAOMONROOWRKEG-ZDUSSCGKSA-N 1 0 279.405 2.337 10 0 CEAERO C[NH2+]CCS(=O)(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000051040600 522013160 /nfs/dbraw/zinc/01/31/60/522013160.db2.gz WLGCRCYCEJMYLB-UHFFFAOYSA-N 1 0 290.388 2.315 10 0 CEAERO C[NH2+]CCc1c(C)nc(Cc2ccccc2OC)nc1C ZINC000054837992 522019009 /nfs/dbraw/zinc/01/90/09/522019009.db2.gz IRPQPALEPSYWHT-UHFFFAOYSA-N 1 0 285.391 2.455 10 0 CEAERO C[NH2+]C[C@@H](C(C)C)N1CCc2cc(OC)c(OC)cc2C1 ZINC000052417219 522025682 /nfs/dbraw/zinc/02/56/82/522025682.db2.gz UIXAWRAIXOZPAE-HNNXBMFYSA-N 1 0 292.423 2.306 10 0 CEAERO C[NH2+]C[C@H](OC[C@H]1CCCO1)c1ccc(OC)cc1 ZINC000050493687 522078589 /nfs/dbraw/zinc/07/85/89/522078589.db2.gz AEGSQZDWZQASEP-CABCVRRESA-N 1 0 265.353 2.151 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1CC(=O)N(CC(C)C)CC(C)C ZINC000063168955 522080570 /nfs/dbraw/zinc/08/05/70/522080570.db2.gz VBUDAMNXHJCFSU-MRXNPFEDSA-N 1 0 297.487 2.201 10 0 CEAERO C[NH2+]C[C@]1(Cc2cnn(C)c2)CCCc2ccccc21 ZINC000054662400 522097962 /nfs/dbraw/zinc/09/79/62/522097962.db2.gz IWDCVPCAISZQJM-QGZVFWFLSA-N 1 0 269.392 2.456 10 0 CEAERO C[NH2+]C[C@H]1OCCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000070284671 522098999 /nfs/dbraw/zinc/09/89/99/522098999.db2.gz UQZSJHPGLPKGAO-CHWSQXEVSA-N 1 0 272.751 2.070 10 0 CEAERO C[NH+](C)[C@H]1CCN(c2ccc(N)c(C(F)(F)F)c2)C1 ZINC000062965512 522104679 /nfs/dbraw/zinc/10/46/79/522104679.db2.gz UETWHIJRKQKBLJ-JTQLQIEISA-N 1 0 273.302 2.428 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc(N)c(C)c(F)c2)CC1 ZINC000055063630 522114940 /nfs/dbraw/zinc/11/49/40/522114940.db2.gz SBKZDQNSBRFHPY-LLVKDONJSA-N 1 0 293.386 2.273 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(Cc2cccc(C(N)=S)c2)CC1 ZINC000055066718 522127184 /nfs/dbraw/zinc/12/71/84/522127184.db2.gz CVNOWEFFCJSRNB-CYBMUJFWSA-N 1 0 291.464 2.237 10 0 CEAERO C[NH2+]Cc1cnn([C@@H]2CCC[C@@H]2O)c1-c1ccccc1 ZINC000054599539 522149067 /nfs/dbraw/zinc/14/90/67/522149067.db2.gz HYPPWUMBJOLRRD-CABCVRRESA-N 1 0 271.364 2.355 10 0 CEAERO C[NH2+]Cc1nccn1Cc1ccc(Br)s1 ZINC000051004544 522155196 /nfs/dbraw/zinc/15/51/96/522155196.db2.gz LHMYMSJWBXGHKI-UHFFFAOYSA-N 1 0 286.198 2.475 10 0 CEAERO C[NH2+]Cc1nnnn1-c1ccccc1-c1ccccc1 ZINC000054744757 522158116 /nfs/dbraw/zinc/15/81/16/522158116.db2.gz CJEICTPUMPBXSY-UHFFFAOYSA-N 1 0 265.320 2.049 10 0 CEAERO CC[C@H](C[NH3+])Oc1cccc(I)c1 ZINC000052696404 522171108 /nfs/dbraw/zinc/17/11/08/522171108.db2.gz HVVVGBLWFAKZDZ-SECBINFHSA-N 1 0 291.132 2.407 10 0 CEAERO COC[C@@H](C)N(C)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000049041020 522213884 /nfs/dbraw/zinc/21/38/84/522213884.db2.gz XIKSSKJAHPYMQD-MNOVXSKESA-N 1 0 265.357 2.205 10 0 CEAERO COC[C@@H](C)[NH2+]CCN(C)c1ccc(C)cc1C ZINC000053435410 522250624 /nfs/dbraw/zinc/25/06/24/522250624.db2.gz YUKVAMJMOBUXNA-CQSZACIVSA-N 1 0 250.386 2.364 10 0 CEAERO CN(C)c1cccc(C(=O)N2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000051358851 522256710 /nfs/dbraw/zinc/25/67/10/522256710.db2.gz ACBYLOIZGSWSAM-HOTGVXAUSA-N 1 0 287.407 2.109 10 0 CEAERO C[NH2+][C@@H](C)CCc1ccc(OCCC(=O)OC)cc1 ZINC000069317087 522320204 /nfs/dbraw/zinc/32/02/04/522320204.db2.gz ACLRRUSPGLTZSV-LBPRGKRZSA-N 1 0 265.353 2.169 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(F)cc1O[C@@H](C)C(=O)N1CCCC1 ZINC000062746466 522332863 /nfs/dbraw/zinc/33/28/63/522332863.db2.gz POUBMJWCMNWKRL-RYUDHWBXSA-N 1 0 294.370 2.496 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(F)cc1O[C@H]1CCCCNC1=O ZINC000062746626 522333532 /nfs/dbraw/zinc/33/35/32/522333532.db2.gz WGZIWOPPRQZDPF-GWCFXTLKSA-N 1 0 280.343 2.154 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C1CC1)c1ccco1 ZINC000061594624 522338878 /nfs/dbraw/zinc/33/88/78/522338878.db2.gz XUMWBLONHQRBSY-GXSJLCMTSA-N 1 0 294.380 2.070 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C)c1ccc(C)s1 ZINC000061592513 522339748 /nfs/dbraw/zinc/33/97/48/522339748.db2.gz FQEDUEXJGHTLRI-WCBMZHEXSA-N 1 0 298.437 2.049 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1CC)c1cccs1 ZINC000061594402 522344960 /nfs/dbraw/zinc/34/49/60/522344960.db2.gz JWRCNLMXKOIOIL-WPRPVWTQSA-N 1 0 298.437 2.224 10 0 CEAERO CC[C@H]([NH3+])[C@](O)(c1ccc(OC)c(F)c1)C(F)(F)F ZINC000062784661 522346439 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CC[C@H]1COCCN1c1c(C[NH2+]C(C)(C)C)c(C)nn1C ZINC000062736308 523338431 /nfs/dbraw/zinc/33/84/31/523338431.db2.gz ARLLAYOTZGFCAJ-ZDUSSCGKSA-N 1 0 294.443 2.232 10 0 CEAERO CC[C@H]1CO[C@@H](C)CN1CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052197579 523342198 /nfs/dbraw/zinc/34/21/98/523342198.db2.gz BPDCJLWHLSGCLL-HOTGVXAUSA-N 1 0 298.471 2.281 10 0 CEAERO COCCC[NH2+]C[C@@H](C)N(C)Cc1ccoc1C ZINC000053498126 523372183 /nfs/dbraw/zinc/37/21/83/523372183.db2.gz RHVYWNKLLKESCI-GFCCVEGCSA-N 1 0 254.374 2.034 10 0 CEAERO CCn1cc(C[C@@H]([NH2+]C)c2ccc(OC)c(OC)c2)cn1 ZINC000050542310 523393811 /nfs/dbraw/zinc/39/38/11/523393811.db2.gz ZGXXVJGQNVFRDZ-CQSZACIVSA-N 1 0 289.379 2.423 10 0 CEAERO CCn1cc(Cn2ccnc2C[NH2+]C(C)(C)C)cn1 ZINC000051015421 523400442 /nfs/dbraw/zinc/40/04/42/523400442.db2.gz ALTBOPQEQPFSFU-UHFFFAOYSA-N 1 0 261.373 2.036 10 0 CEAERO CC[C@@H]1COCCN1[C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062710107 523501742 /nfs/dbraw/zinc/50/17/42/523501742.db2.gz YHGRMMKCOBDLKC-MFKMUULPSA-N 1 0 288.313 2.215 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259.357 2.086 10 0 CEAERO C[C@H]1CCC[C@](CO)([NH2+]CC2(O)CCCCC2)C1 ZINC000053125909 524225304 /nfs/dbraw/zinc/22/53/04/524225304.db2.gz MQDZEJBLQZJVSH-KBPBESRZSA-N 1 0 255.402 2.212 10 0 CEAERO Cc1cc(C)c(C(=O)N[C@H]2CCCC[NH2+]C2)c(C)c1 ZINC000070120222 524238651 /nfs/dbraw/zinc/23/86/51/524238651.db2.gz PBMVNZJSLGRKPF-AWEZNQCLSA-N 1 0 260.381 2.484 10 0 CEAERO COc1ccc(Cn2cc(C[NH3+])cn2)cc1Br ZINC000054716821 524260175 /nfs/dbraw/zinc/26/01/75/524260175.db2.gz YZKYNKOARNZNDH-UHFFFAOYSA-N 1 0 296.168 2.161 10 0 CEAERO Cc1ccc(CCC(=O)N2CC[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC000070145220 524288855 /nfs/dbraw/zinc/28/88/55/524288855.db2.gz DXRALQKHLZYCNM-UKRRQHHQSA-N 1 0 260.381 2.123 10 0 CEAERO C[C@@H]1CCC[C@@H](NC(=O)C2CCC(C[NH3+])CC2)C1 ZINC000055147043 524304251 /nfs/dbraw/zinc/30/42/51/524304251.db2.gz MQJJJYQVGCKKCO-BLYZHGLHSA-N 1 0 252.402 2.446 10 0 CEAERO COc1ccc(F)cc1CN1[C@H](C)C[NH2+]C[C@@H]1C ZINC000069134424 524309229 /nfs/dbraw/zinc/30/92/29/524309229.db2.gz 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524481122 /nfs/dbraw/zinc/48/11/22/524481122.db2.gz TVRSQFKSPNDJMA-OAHLLOKOSA-N 1 0 288.439 2.124 10 0 CEAERO C[C@@H]1CCN(C(=O)c2cccc(CC[NH3+])c2)[C@H](C)C1 ZINC000053663106 524489075 /nfs/dbraw/zinc/48/90/75/524489075.db2.gz URVAASBVIWUZCJ-CHWSQXEVSA-N 1 0 260.381 2.448 10 0 CEAERO Cc1cc(C)n(CC[NH2+]C2CCC(C)CC2)c(=O)n1 ZINC000053500030 524528737 /nfs/dbraw/zinc/52/87/37/524528737.db2.gz LHWZKJZLPYUNEM-UHFFFAOYSA-N 1 0 263.385 2.028 10 0 CEAERO Cc1cc(C)n(CC[NH2+][C@@H]2CCC[C@H](C)C2)c(=O)n1 ZINC000053500074 524529734 /nfs/dbraw/zinc/52/97/34/524529734.db2.gz GZEQVRMNOZOBPL-SMDDNHRTSA-N 1 0 263.385 2.028 10 0 CEAERO Cc1cc(C)nc(-n2cc(CCC[NH2+]CC(C)C)cn2)n1 ZINC000054670169 524574373 /nfs/dbraw/zinc/57/43/73/524574373.db2.gz OLLQXLNZAPIXTG-UHFFFAOYSA-N 1 0 287.411 2.457 10 0 CEAERO COc1ccc(NC(=O)[C@@H]2CC[C@H](C)[NH2+]C2)cc1C ZINC000049532360 524598283 /nfs/dbraw/zinc/59/82/83/524598283.db2.gz UQQNAGQHONKQGY-NWDGAFQWSA-N 1 0 262.353 2.330 10 0 CEAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc(F)c(F)cc1N ZINC000050017936 524605987 /nfs/dbraw/zinc/60/59/87/524605987.db2.gz UAXDWINMIBMRKP-JTQLQIEISA-N 1 0 297.349 2.151 10 0 CEAERO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000150808945 524635292 /nfs/dbraw/zinc/63/52/92/524635292.db2.gz JBHWUIBPUALUDD-AICCOOGYSA-N 1 0 282.428 2.037 10 0 CEAERO C[C@H](C[C@](C)([NH2+]C1CC1)C(=O)[O-])[NH+]1CCC(C)(C)CC1 ZINC000068643192 524653522 /nfs/dbraw/zinc/65/35/22/524653522.db2.gz QFSFYMKUHDDYIY-WBMJQRKESA-N 1 0 282.428 2.482 10 0 CEAERO C[C@H](C[C@](C)(N)C(N)=O)[NH+]1CCC2(CCCCC2)CC1 ZINC000068643026 524654548 /nfs/dbraw/zinc/65/45/48/524654548.db2.gz VPGVCPQRJUHDLN-HIFRSBDPSA-N 1 0 281.444 2.014 10 0 CEAERO C[C@@H]1CC[C@H](C[NH3+])CN1CC(=O)Nc1ccccc1Cl ZINC000070182688 524673134 /nfs/dbraw/zinc/67/31/34/524673134.db2.gz SHRFYHJEIFINOL-VXGBXAGGSA-N 1 0 295.814 2.338 10 0 CEAERO C[C@@H](C[NH2+]C1CC1)N1CCN(c2ccccc2F)CC1 ZINC000052374654 524737253 /nfs/dbraw/zinc/73/72/53/524737253.db2.gz YMBGAARUAMLFBW-ZDUSSCGKSA-N 1 0 277.387 2.088 10 0 CEAERO Cc1cccc(OC[C@@]([NH2+]C(C)C)(C(N)=O)C2CC2)c1C ZINC000069197081 524758958 /nfs/dbraw/zinc/75/89/58/524758958.db2.gz WJQQBKHCJFKJIL-KRWDZBQOSA-N 1 0 290.407 2.314 10 0 CEAERO C[C@@H]1CN(C(=O)CCC2CCC([NH3+])CC2)CC(C)(C)O1 ZINC000055139364 524765756 /nfs/dbraw/zinc/76/57/56/524765756.db2.gz YRRDIRFEIAQNPI-IYXRBSQSSA-N 1 0 282.428 2.310 10 0 CEAERO Cc1ccc(F)cc1[C@@](O)([C@@H](C)[NH3+])C(F)(F)F ZINC000062784363 524874592 /nfs/dbraw/zinc/87/45/92/524874592.db2.gz MLCOAQDFFIEFQN-XCBNKYQSSA-N 1 0 251.223 2.231 10 0 CEAERO C[C@H]([NH3+])Cc1nccn1CCCOc1ccccc1 ZINC000062802927 524836594 /nfs/dbraw/zinc/83/65/94/524836594.db2.gz CNZMPPVWBBOIPJ-ZDUSSCGKSA-N 1 0 259.353 2.242 10 0 CEAERO C[C@H]([NH3+])[C@@H]1CCCCN1c1cnc2ccccc2n1 ZINC000063196424 524841045 /nfs/dbraw/zinc/84/10/45/524841045.db2.gz GFPYNWYPGYESNG-FZMZJTMJSA-N 1 0 256.353 2.336 10 0 CEAERO C[C@H]([NH3+])[C@](O)(c1occc1Br)C(F)(F)F ZINC000068980846 524862601 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ZINC000053435125 524956886 /nfs/dbraw/zinc/95/68/86/524956886.db2.gz BVJZTHYSWVIWIY-GFCCVEGCSA-N 1 0 266.429 2.264 10 0 CEAERO Cc1cccc2cc(-c3nc([C@@H]4C[NH2+]CCN4C)no3)oc21 ZINC000263226127 524970093 /nfs/dbraw/zinc/97/00/93/524970093.db2.gz MTMFKVGPIIBNIP-LBPRGKRZSA-N 1 0 298.346 2.367 10 0 CEAERO COc1ccc(O[C@@H]2CCOC2=O)c(C[NH2+]C(C)(C)C)c1 ZINC000062727555 524984233 /nfs/dbraw/zinc/98/42/33/524984233.db2.gz NTARTQMEKRYJFR-CQSZACIVSA-N 1 0 293.363 2.278 10 0 CEAERO COc1nc2sccn2c1C[NH2+][C@@H](CN(C)C)C(C)C ZINC000049198473 524991959 /nfs/dbraw/zinc/99/19/59/524991959.db2.gz MGOZJSBZBLYVFP-NSHDSACASA-N 1 0 296.440 2.080 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1ccc(F)cc1)N1CCC[C@@H]1CCCO ZINC000052757561 525006362 /nfs/dbraw/zinc/00/63/62/525006362.db2.gz KKEKCGQFNWENQI-WQVCFCJDSA-N 1 0 280.387 2.451 10 0 CEAERO CS(=O)(=O)CCC1(C[NH2+]C2CC2)CCCCC1 ZINC000054655067 525110990 /nfs/dbraw/zinc/11/09/90/525110990.db2.gz QDZSSJLFWOWWNV-UHFFFAOYSA-N 1 0 259.415 2.124 10 0 CEAERO C[C@@H]1CN(c2ccc(C[NH2+]C(C)(C)C)nn2)CC(C)(C)O1 ZINC000051488759 525066512 /nfs/dbraw/zinc/06/65/12/525066512.db2.gz NQLXRLBWXIABRA-GFCCVEGCSA-N 1 0 292.427 2.368 10 0 CEAERO C[C@@H]1CN(c2nc(C(C)(C)C)c(C[NH3+])s2)CCO1 ZINC000054995684 525072257 /nfs/dbraw/zinc/07/22/57/525072257.db2.gz IVCNLRZGJBCFRI-SECBINFHSA-N 1 0 269.414 2.124 10 0 CEAERO C[C@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)NCC1CCCCC1 ZINC000055127168 525087499 /nfs/dbraw/zinc/08/74/99/525087499.db2.gz CSPZAAQPONSMBI-XBFCOCLRSA-N 1 0 252.402 2.446 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C)N1C(=O)c1ccc2ccccc2n1 ZINC000069133406 525096895 /nfs/dbraw/zinc/09/68/95/525096895.db2.gz MPSNMOURJAVUMN-VXGBXAGGSA-N 1 0 269.348 2.057 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H](C)N1C(=O)c1cccc(OC(F)F)c1 ZINC000069133105 525101174 /nfs/dbraw/zinc/10/11/74/525101174.db2.gz FDVBUDFVLORKKT-AOOOYVTPSA-N 1 0 284.306 2.110 10 0 CEAERO Cc1ccccc1CN(C)C(=O)[C@H]1[NH2+]CCC[C@@H]1C ZINC000051793336 525126144 /nfs/dbraw/zinc/12/61/44/525126144.db2.gz UYKJTYQLWUJOHM-ZFWWWQNUSA-N 1 0 260.381 2.342 10 0 CEAERO C[C@@H]1COCCN1Cc1csc(C[NH2+]C(C)(C)C)n1 ZINC000052475702 525126552 /nfs/dbraw/zinc/12/65/52/525126552.db2.gz GGEULOJJSXDTSI-LLVKDONJSA-N 1 0 283.441 2.252 10 0 CEAERO C[C@H]1c2ccsc2CCN1C(=O)c1cc[nH+]c(NN)c1 ZINC000051094672 525132424 /nfs/dbraw/zinc/13/24/24/525132424.db2.gz XUCSYPNIHZZNPE-VIFPVBQESA-N 1 0 288.376 2.188 10 0 CEAERO C[C@](O)(C[NH2+]C1CC1)c1ccccc1Br ZINC000055033181 525177398 /nfs/dbraw/zinc/17/73/98/525177398.db2.gz DXVFRZOSWQZRKT-LBPRGKRZSA-N 1 0 270.170 2.409 10 0 CEAERO C[C@]1(C(=O)N(Cc2ccc(F)cc2)C2CC2)CC[NH2+]C1 ZINC000062894707 525189456 /nfs/dbraw/zinc/18/94/56/525189456.db2.gz OHJOGGXCDDWAMQ-INIZCTEOSA-N 1 0 276.355 2.316 10 0 CEAERO COc1ccc([C@@H](O)C[NH2+]C2CC2)cc1Br ZINC000049884001 525206373 /nfs/dbraw/zinc/20/63/73/525206373.db2.gz BXOOIYXMZPSMPF-NSHDSACASA-N 1 0 286.169 2.243 10 0 CEAERO CS(=O)(=O)c1ccccc1N[C@H]1CCCCC[C@H]1[NH3+] ZINC000063214780 525280195 /nfs/dbraw/zinc/28/01/95/525280195.db2.gz ZPZZPSFCFRPJSR-NEPJUHHUSA-N 1 0 282.409 2.162 10 0 CEAERO Cc1ccccc1O[C@H](C)C[C@](C)([NH2+]C1CC1)C(N)=O ZINC000068656320 525324416 /nfs/dbraw/zinc/32/44/16/525324416.db2.gz GRGNGLZXZNKWCA-WBMJQRKESA-N 1 0 276.380 2.148 10 0 CEAERO COc1ccc([C@H](O)[C@@H]([NH3+])c2ccccc2)cc1O ZINC000054682764 525379564 /nfs/dbraw/zinc/37/95/64/525379564.db2.gz DRWPUFZMFQRRSB-GJZGRUSLSA-N 1 0 259.305 2.134 10 0 CEAERO Cc1cc(S[C@H]([C@H](C)[NH3+])C(F)(F)F)n(C)n1 ZINC000052309682 525440410 /nfs/dbraw/zinc/44/04/10/525440410.db2.gz JMGHEACZIVXQOM-POYBYMJQSA-N 1 0 253.293 2.099 10 0 CEAERO Cc1nc[nH]c1CN[C@H](C[NH+](C)C)c1ccccc1 ZINC000054794136 525462532 /nfs/dbraw/zinc/46/25/32/525462532.db2.gz LRVZJZGOQUETIJ-OAHLLOKOSA-N 1 0 258.369 2.111 10 0 CEAERO CSCC[C@H]([NH3+])c1nc(-c2cccs2)n[nH]1 ZINC000054700160 525587488 /nfs/dbraw/zinc/58/74/88/525587488.db2.gz LRXIDGAFGDBWIN-ZETCQYMHSA-N 1 0 254.384 2.286 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCCS(=O)(=O)C1)c1ccc2c(c1)CCC2 ZINC000069141027 525635437 /nfs/dbraw/zinc/63/54/37/525635437.db2.gz LJUUQNZFWCVLQF-MLGOLLRUSA-N 1 0 293.432 2.403 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)c2c[nH+]c(NN)c(Cl)c2)o1 ZINC000051114696 525719986 /nfs/dbraw/zinc/71/99/86/525719986.db2.gz XPXMKDCEQPCPRU-MRVPVSSYSA-N 1 0 294.742 2.413 10 0 CEAERO Cc1c(C[NH2+]C(C)C)cnn1[C@@H]1CCCC[C@@H]1O ZINC000054600041 525721462 /nfs/dbraw/zinc/72/14/62/525721462.db2.gz ZIPBAGYRYJLWHA-KGLIPLIRSA-N 1 0 251.374 2.166 10 0 CEAERO C[C@H](O)CN(C)c1nc2ccccn2c1C[NH2+]C(C)(C)C ZINC000062738154 525747435 /nfs/dbraw/zinc/74/74/35/525747435.db2.gz LLGWGYBTXAEKGD-LBPRGKRZSA-N 1 0 290.411 2.039 10 0 CEAERO C[C@@]([NH3+])(c1cccc(Br)c1)c1cncnc1 ZINC000052887681 525752176 /nfs/dbraw/zinc/75/21/76/525752176.db2.gz ALZGNYIVQWOANF-GFCCVEGCSA-N 1 0 278.153 2.461 10 0 CEAERO C[C@@](O)(C[NH3+])c1cc2cc(Br)ccc2o1 ZINC000055032528 525765899 /nfs/dbraw/zinc/76/58/99/525765899.db2.gz HXFPUIIFKYOSJR-LLVKDONJSA-N 1 0 270.126 2.362 10 0 CEAERO Cc1ccc([C@@H](O)CN(C)CC[NH+]2CCCC2)c(C)c1 ZINC000063052994 525776852 /nfs/dbraw/zinc/77/68/52/525776852.db2.gz CGQIKKXQFXIIJG-KRWDZBQOSA-N 1 0 276.424 2.364 10 0 CEAERO Cc1ccsc1C[NH2+]CCN1C[C@@H](C)OC[C@@H]1C ZINC000053382302 525857105 /nfs/dbraw/zinc/85/71/05/525857105.db2.gz QJVFHFVXEYALNC-QWHCGFSZSA-N 1 0 268.426 2.255 10 0 CEAERO Cc1ccsc1[C@@H]([NH3+])c1ccc2c(c1)n(C)c(=O)n2C ZINC000051392340 525873618 /nfs/dbraw/zinc/87/36/18/525873618.db2.gz GOABMWYSCJKADX-ZDUSSCGKSA-N 1 0 287.388 2.295 10 0 CEAERO C[C@H](O)c1nc2cc(N)ccc2n1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000053737142 525874787 /nfs/dbraw/zinc/87/47/87/525874787.db2.gz RNQYFZXNCITQFK-GXFFZTMASA-N 1 0 286.379 2.081 10 0 CEAERO C[C@@H](Oc1cccc(C[NH2+]C(C)(C)C)c1)C(=O)N(C)C ZINC000062731282 525935746 /nfs/dbraw/zinc/93/57/46/525935746.db2.gz CBPWEHCTTBFVAV-GFCCVEGCSA-N 1 0 278.396 2.430 10 0 CEAERO Cc1ccc(=O)n(C[C@@H]([NH3+])c2ccc(OC(C)C)cc2)n1 ZINC000061810421 525976299 /nfs/dbraw/zinc/97/62/99/525976299.db2.gz YDZKSJRSWYANMS-OAHLLOKOSA-N 1 0 287.363 2.039 10 0 CEAERO Cc1ccc([C@H](Sc2nnc(C)o2)[C@H](C)[NH3+])o1 ZINC000051037906 525978294 /nfs/dbraw/zinc/97/82/94/525978294.db2.gz KMPQGJQJLQWESR-OIBJUYFYSA-N 1 0 253.327 2.460 10 0 CEAERO CSc1ccc(NC(=O)c2ccc(NN)[nH+]c2)cc1 ZINC000051089892 526041516 /nfs/dbraw/zinc/04/15/16/526041516.db2.gz JVKUYQRSDOAJGR-UHFFFAOYSA-N 1 0 274.349 2.341 10 0 CEAERO C[C@@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)CCC[NH3+] ZINC000062015269 526043641 /nfs/dbraw/zinc/04/36/41/526043641.db2.gz QPODWIUHFIZBSY-JTQLQIEISA-N 1 0 290.816 2.011 10 0 CEAERO COc1cccc(C[C@@H](C)[NH3+])c1OC1CCOCC1 ZINC000069310668 526070338 /nfs/dbraw/zinc/07/03/38/526070338.db2.gz CONHHGQYJXOKHK-LLVKDONJSA-N 1 0 265.353 2.143 10 0 CEAERO Cc1cc(-n2cc(CCC[NH2+]C(C)(C)C)cn2)ncn1 ZINC000054680984 526073539 /nfs/dbraw/zinc/07/35/39/526073539.db2.gz CKIOTYDASLOUHT-UHFFFAOYSA-N 1 0 273.384 2.291 10 0 CEAERO COc1cccc(C[C@H](C)[NH3+])c1OCC1CCOCC1 ZINC000052174892 526075141 /nfs/dbraw/zinc/07/51/41/526075141.db2.gz MCVHLQTXLZXZSY-LBPRGKRZSA-N 1 0 279.380 2.390 10 0 CEAERO Cc1ccc(C(=O)N2[C@@H](C)C[NH2+]C[C@@H]2C)cc1Cl ZINC000069133347 526141898 /nfs/dbraw/zinc/14/18/98/526141898.db2.gz GNTRSQIIDCMIDA-QWRGUYRKSA-N 1 0 266.772 2.471 10 0 CEAERO COc1cccc(OC)c1OCc1ccnc(C[NH3+])c1 ZINC000068751169 526223445 /nfs/dbraw/zinc/22/34/45/526223445.db2.gz RHWFGMDGLJGLIX-UHFFFAOYSA-N 1 0 274.320 2.137 10 0 CEAERO Cc1ccc(C(C)C)cc1O[C@H](C)C[C@@](C)([NH3+])C(N)=O ZINC000068650818 526250416 /nfs/dbraw/zinc/25/04/16/526250416.db2.gz FQGUYAIDHPHGJK-MLGOLLRUSA-N 1 0 278.396 2.479 10 0 CEAERO Cc1ccc2[nH]c(SC[C@H](O)C[NH2+]C3CC3)nc2c1 ZINC000061440380 526255017 /nfs/dbraw/zinc/25/50/17/526255017.db2.gz HACXTUGYAGVVAE-LLVKDONJSA-N 1 0 277.393 2.076 10 0 CEAERO Cc1ccc(C)c(-n2nnnc2C[NH2+]C(C)(C)C)c1 ZINC000054744190 526256991 /nfs/dbraw/zinc/25/69/91/526256991.db2.gz ZBYIDEHVULGKNR-UHFFFAOYSA-N 1 0 259.357 2.167 10 0 CEAERO C[C@H]1CCCC[C@H]1Cn1nnnc1C[NH2+]C(C)(C)C ZINC000054747027 526260457 /nfs/dbraw/zinc/26/04/57/526260457.db2.gz TVMJGGNJFWFFMR-RYUDHWBXSA-N 1 0 265.405 2.388 10 0 CEAERO Cc1nn(C[C@@H]2CC[C@H](C[NH2+]C3CC3)O2)c(C)c1C ZINC000052591643 526284762 /nfs/dbraw/zinc/28/47/62/526284762.db2.gz IVJARZTXPUWVFT-CABCVRRESA-N 1 0 263.385 2.108 10 0 CEAERO Cc1nn(Cc2cn3ccccc3n2)c(C)c1C[C@@H](C)[NH3+] ZINC000062803237 526299228 /nfs/dbraw/zinc/29/92/28/526299228.db2.gz TXNCYUNWXKORAB-LLVKDONJSA-N 1 0 283.379 2.086 10 0 CEAERO Cc1nn([C@@H](C)C[C@@](C)([NH2+]C2CC2)C(N)=O)c(C)c1Cl ZINC000068649810 526301750 /nfs/dbraw/zinc/30/17/50/526301750.db2.gz XZIACOKJQIOCPO-RMLUDKJBSA-N 1 0 298.818 2.100 10 0 CEAERO Fc1ccc(N2CCN([C@H]3CCCC[NH2+]C3)CC2)cc1 ZINC000054134919 526352852 /nfs/dbraw/zinc/35/28/52/526352852.db2.gz DFBBYBYUHPNFKF-INIZCTEOSA-N 1 0 277.387 2.090 10 0 CEAERO Cc1csc(CNC[C@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)n1 ZINC000049539141 526356760 /nfs/dbraw/zinc/35/67/60/526356760.db2.gz QEXISHBZAAULEU-XQQFMLRXSA-N 1 0 265.426 2.462 10 0 CEAERO Cc1csc(Cc2nc(C)cc(C[C@@H](C)[NH3+])n2)n1 ZINC000055270015 526367985 /nfs/dbraw/zinc/36/79/85/526367985.db2.gz QIWMGNFHBPUJDD-MRVPVSSYSA-N 1 0 262.382 2.030 10 0 CEAERO Cc1csc(Cc2noc(CC[NH2+]C(C)(C)C)n2)n1 ZINC000055266362 526369037 /nfs/dbraw/zinc/36/90/37/526369037.db2.gz BIKKWMDTYCWEAW-UHFFFAOYSA-N 1 0 280.397 2.356 10 0 CEAERO Cc1nnc(Sc2cc(C(N)=[NH2+])c3ccccc3n2)o1 ZINC000068798455 526390930 /nfs/dbraw/zinc/39/09/30/526390930.db2.gz YNSNWKXBWLYUEA-UHFFFAOYSA-N 1 0 285.332 2.361 10 0 CEAERO c1c2nc(CC[C@H]3CCCC[NH2+]3)[nH]c2cc2c1OCCO2 ZINC000050926745 526403655 /nfs/dbraw/zinc/40/36/55/526403655.db2.gz YPMOZAUNSCKTET-LLVKDONJSA-N 1 0 287.363 2.409 10 0 CEAERO O=C(CCC1CC[NH2+]CC1)Nc1cccc2n[nH]cc21 ZINC000050945801 526411889 /nfs/dbraw/zinc/41/18/89/526411889.db2.gz GPQVUAZFAYKWDS-UHFFFAOYSA-N 1 0 272.352 2.281 10 0 CEAERO c1ccc(-c2n[nH]c(CCC3CC[NH2+]CC3)n2)cc1 ZINC000050929672 526453935 /nfs/dbraw/zinc/45/39/35/526453935.db2.gz CLGDPICMHQNVNU-UHFFFAOYSA-N 1 0 256.353 2.404 10 0 CEAERO O=C(CC[C@@H]1CCCC[NH2+]1)NCCOc1ccccc1 ZINC000050951588 526547439 /nfs/dbraw/zinc/54/74/39/526547439.db2.gz UEFPSXVOAJNNFH-AWEZNQCLSA-N 1 0 276.380 2.104 10 0 CEAERO O=C(CC[C@@H]1CCCC[NH2+]1)NCCc1ccsc1 ZINC000050951155 526548088 /nfs/dbraw/zinc/54/80/88/526548088.db2.gz FIKGLDCDOQEJKX-ZDUSSCGKSA-N 1 0 266.410 2.329 10 0 CEAERO O=C(CC[C@H]1CCCCO1)N1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000069388532 526566502 /nfs/dbraw/zinc/56/65/02/526566502.db2.gz MDWRLZVRPHQINU-BZUAXINKSA-N 1 0 294.439 2.326 10 0 CEAERO Cc1nc(-c2cccnc2)nc(C)c1C[NH2+]C1CC1 ZINC000054854382 526610303 /nfs/dbraw/zinc/61/03/03/526610303.db2.gz SFROBZRHVRZRKE-UHFFFAOYSA-N 1 0 254.337 2.407 10 0 CEAERO Cc1nc(-c2ccncn2)nc(C)c1CC[NH2+]CC(C)C ZINC000070098135 526618432 /nfs/dbraw/zinc/61/84/32/526618432.db2.gz JLLSZNMIWTWAHS-UHFFFAOYSA-N 1 0 285.395 2.339 10 0 CEAERO Cc1nc(-c2ncccn2)nc(C)c1CC[NH2+]C(C)C ZINC000054853822 526625251 /nfs/dbraw/zinc/62/52/51/526625251.db2.gz XAZSBJIHHPVXRL-UHFFFAOYSA-N 1 0 271.368 2.091 10 0 CEAERO Cc1oc(CN2CCN(c3ccccc3)CC2)cc1C[NH3+] ZINC000052417311 526770598 /nfs/dbraw/zinc/77/05/98/526770598.db2.gz SANRTDUBUGRALG-UHFFFAOYSA-N 1 0 285.391 2.369 10 0 CEAERO Cc1oc(CN2CCO[C@@H]3CCCC[C@@H]32)cc1C[NH3+] ZINC000052573113 526771600 /nfs/dbraw/zinc/77/16/00/526771600.db2.gz NLYNRUUFKMTBMV-LSDHHAIUSA-N 1 0 264.369 2.190 10 0 CEAERO Cc1oc(C[NH2+]C(C)C)cc1CN1CCO[C@H](C)C1 ZINC000052382712 526774901 /nfs/dbraw/zinc/77/49/01/526774901.db2.gz WLWLBDMUXBYENU-GFCCVEGCSA-N 1 0 266.385 2.307 10 0 CEAERO O=C(CN1CC[C@H]([NH+]2CCCC2)C1)c1ccc(F)c(F)c1 ZINC000062981586 526806609 /nfs/dbraw/zinc/80/66/09/526806609.db2.gz LCZQNPAIIKGBOQ-ZDUSSCGKSA-N 1 0 294.345 2.318 10 0 CEAERO O=C(CN1CC[C@H]([NH+]2CCCC2)C1)c1cc(F)ccc1F ZINC000062981556 526807949 /nfs/dbraw/zinc/80/79/49/526807949.db2.gz YGYFMQRJYGNJAV-ZDUSSCGKSA-N 1 0 294.345 2.318 10 0 CEAERO Cc1nc(CNC[C@]2([NH+](C)C)CCC[C@H](C)C2)c[nH]1 ZINC000054822434 526888850 /nfs/dbraw/zinc/88/88/50/526888850.db2.gz AAMVFKHRCWEBCH-WFASDCNBSA-N 1 0 264.417 2.318 10 0 CEAERO Cc1nc(N2CCC([NH+](C)C)CC2)sc1[C@@H](C)O ZINC000054911187 526962567 /nfs/dbraw/zinc/96/25/67/526962567.db2.gz NLCXHKZUHUPTRD-SNVBAGLBSA-N 1 0 269.414 2.035 10 0 CEAERO Cc1nc(N2CCC(C[NH+](C)C)CC2)sc1C=O ZINC000054966888 526963125 /nfs/dbraw/zinc/96/31/25/526963125.db2.gz NRQRYISDNOUSCQ-UHFFFAOYSA-N 1 0 267.398 2.042 10 0 CEAERO O=C(COc1ccccc1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063188720 526981196 /nfs/dbraw/zinc/98/11/96/526981196.db2.gz BDLMXKHVSVFRNK-HOTGVXAUSA-N 1 0 288.391 2.199 10 0 CEAERO NC(=O)c1c(Cl)cccc1OCC[C@@H]1CCCC[NH2+]1 ZINC000052908606 527018731 /nfs/dbraw/zinc/01/87/31/527018731.db2.gz KXFBHDKTIXXMHF-JTQLQIEISA-N 1 0 282.771 2.350 10 0 CEAERO NC(=O)c1cc(Cl)ccc1OC1CCC([NH3+])CC1 ZINC000055143360 527026907 /nfs/dbraw/zinc/02/69/07/527026907.db2.gz MFGLYLGNWYJSDQ-UHFFFAOYSA-N 1 0 268.744 2.088 10 0 CEAERO [NH3+]C1CCC(OCCCOCC(F)(F)F)CC1 ZINC000055143299 527141895 /nfs/dbraw/zinc/14/18/95/527141895.db2.gz YBGXRZCDRMCLSI-UHFFFAOYSA-N 1 0 255.280 2.242 10 0 CEAERO [NH3+]CC1([C@@H]2CS(=O)(=O)c3ccccc32)CCCCC1 ZINC000054635449 527164845 /nfs/dbraw/zinc/16/48/45/527164845.db2.gz MYSXFORGDFVKGY-CYBMUJFWSA-N 1 0 279.405 2.467 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1cccnc1N1CCCC1 ZINC000054306513 527167483 /nfs/dbraw/zinc/16/74/83/527167483.db2.gz ADOWACQUYDLVFU-CYBMUJFWSA-N 1 0 288.395 2.010 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)N1CC[C@@H](c2ccccc2)C1 ZINC000054292727 527167864 /nfs/dbraw/zinc/16/78/64/527167864.db2.gz COKXTWHUEQUJTR-GDBMZVCRSA-N 1 0 272.392 2.392 10 0 CEAERO [NH3+]CCCOCc1cc(Br)ccc1F ZINC000051865050 527182156 /nfs/dbraw/zinc/18/21/56/527182156.db2.gz GWFKNHWMVDTQHS-UHFFFAOYSA-N 1 0 262.122 2.454 10 0 CEAERO O=S(=O)(C[C@@H]1CCC[NH2+]1)Nc1cccc2ccccc21 ZINC000049632402 527182755 /nfs/dbraw/zinc/18/27/55/527182755.db2.gz ZOACLOAJDIJBNX-ZDUSSCGKSA-N 1 0 290.388 2.334 10 0 CEAERO [NH3+]CCN(C(=O)Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000050518207 527184092 /nfs/dbraw/zinc/18/40/92/527184092.db2.gz JTFGBOOITQZPGA-UHFFFAOYSA-N 1 0 286.297 2.198 10 0 CEAERO [NH3+]CCCc1noc(-c2cccc3cccnc32)n1 ZINC000061418920 527184523 /nfs/dbraw/zinc/18/45/23/527184523.db2.gz DHGAAPBDTZXNAK-UHFFFAOYSA-N 1 0 254.293 2.176 10 0 CEAERO [NH3+]CC[C@H]1CCCN(c2ncccc2Br)C1 ZINC000069626254 527195111 /nfs/dbraw/zinc/19/51/11/527195111.db2.gz XFTMIUSXDCCGSM-SNVBAGLBSA-N 1 0 284.201 2.409 10 0 CEAERO [NH3+]CC[C@H]1CCC[C@H](C(=O)NCC2CCCC2)C1 ZINC000055147071 527195173 /nfs/dbraw/zinc/19/51/73/527195173.db2.gz HUEYQKSORJERCW-OCCSQVGLSA-N 1 0 252.402 2.448 10 0 CEAERO [NH3+]CCc1nccn1Cc1ccc(F)cc1Cl ZINC000052304164 527199397 /nfs/dbraw/zinc/19/93/97/527199397.db2.gz BAUQVBDMUKACJZ-UHFFFAOYSA-N 1 0 253.708 2.225 10 0 CEAERO [NH3+]C[C@@H](Oc1cccc(F)c1F)c1ccncc1 ZINC000062612926 527206833 /nfs/dbraw/zinc/20/68/33/527206833.db2.gz BVMWKZGVHSMJQD-GFCCVEGCSA-N 1 0 250.248 2.439 10 0 CEAERO [NH3+]C[C@H](C(=O)Nc1cccnc1Cl)c1ccccc1 ZINC000061611700 527225428 /nfs/dbraw/zinc/22/54/28/527225428.db2.gz SVMMTFATHOQCEE-NSHDSACASA-N 1 0 275.739 2.416 10 0 CEAERO Cn1cc(C[C@@H]([NH3+])Cc2ccccc2Br)cn1 ZINC000055335171 527228657 /nfs/dbraw/zinc/22/86/57/527228657.db2.gz WMEYWCWEWDCQEA-GFCCVEGCSA-N 1 0 294.196 2.295 10 0 CEAERO [NH3+]Cc1cc2c(nc1N1CCC[C@H]1CCCO)CCCC2 ZINC000052756773 527250069 /nfs/dbraw/zinc/25/00/69/527250069.db2.gz AGYORQPAYHPUMR-HNNXBMFYSA-N 1 0 289.423 2.160 10 0 CEAERO O=S(=O)(Nc1ccc2c(c1)C[NH2+]CC2)c1ccccc1 ZINC000069052794 527250565 /nfs/dbraw/zinc/25/05/65/527250565.db2.gz SETVWGDEERTMGZ-UHFFFAOYSA-N 1 0 288.372 2.133 10 0 CEAERO [NH3+]Cc1ccc(F)cc1CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000069401486 527254538 /nfs/dbraw/zinc/25/45/38/527254538.db2.gz VMMVNAFACNNRSV-JKSUJKDBSA-N 1 0 278.371 2.428 10 0 CEAERO [NH3+]Cc1cccc(NC(=O)COc2cc(F)cc(F)c2)c1 ZINC000054932537 527259499 /nfs/dbraw/zinc/25/94/99/527259499.db2.gz SJVATZIBOITVAU-UHFFFAOYSA-N 1 0 292.285 2.441 10 0 CEAERO [NH3+]Cc1ccoc1CN1CCN(c2ccccc2F)CC1 ZINC000052374710 527261373 /nfs/dbraw/zinc/26/13/73/527261373.db2.gz ZGGZAHZIZFRKJV-UHFFFAOYSA-N 1 0 289.354 2.200 10 0 CEAERO [NH3+]Cc1cnc(Cc2ccc(Br)cc2)nc1 ZINC000054855268 527262555 /nfs/dbraw/zinc/26/25/55/527262555.db2.gz FFYZDJNIRDOIPG-UHFFFAOYSA-N 1 0 278.153 2.289 10 0 CEAERO [NH3+]Cc1cnn(Cc2ccccc2Br)c1 ZINC000054716770 527263546 /nfs/dbraw/zinc/26/35/46/527263546.db2.gz SUUDKYRGTIRYPP-UHFFFAOYSA-N 1 0 266.142 2.153 10 0 CEAERO NNc1ccc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)c[nH+]1 ZINC000051090884 527275941 /nfs/dbraw/zinc/27/59/41/527275941.db2.gz GRQDAYKRGVWKBN-WCQYABFASA-N 1 0 274.368 2.162 10 0 CEAERO NNc1ccc(C(=O)Nc2cccc3cccnc32)c[nH+]1 ZINC000051089472 527277406 /nfs/dbraw/zinc/27/74/06/527277406.db2.gz XVVYQHPSWQEMCZ-UHFFFAOYSA-N 1 0 279.303 2.168 10 0 CEAERO NNc1ccc(COc2cc(F)cc(F)c2)c[nH+]1 ZINC000054934291 527278947 /nfs/dbraw/zinc/27/89/47/527278947.db2.gz IBBHBXYJBTYGSQ-UHFFFAOYSA-N 1 0 251.236 2.224 10 0 CEAERO Cn1cc([C@@H]([NH3+])Cc2ccccc2Br)cn1 ZINC000055335260 527293247 /nfs/dbraw/zinc/29/32/47/527293247.db2.gz LGCOWGMNOAYFDK-LBPRGKRZSA-N 1 0 280.169 2.425 10 0 CEAERO [NH3+][C@H](c1ccc2c(c1)OCCCO2)C1CCOCC1 ZINC000061671387 527391224 /nfs/dbraw/zinc/39/12/24/527391224.db2.gz YNQZXDACJMNDPR-HNNXBMFYSA-N 1 0 263.337 2.274 10 0 CEAERO [NH3+][C@H]1CCCCC[C@@H]1NC(=O)Cc1ccccc1F ZINC000063212387 527394208 /nfs/dbraw/zinc/39/42/08/527394208.db2.gz YFUQLCABXLWVQV-KBPBESRZSA-N 1 0 264.344 2.144 10 0 CEAERO Cc1nccn1CCN1C[C@@H](C(C)C)[NH2+]CC12CCCC2 ZINC000068704654 527425935 /nfs/dbraw/zinc/42/59/35/527425935.db2.gz VPVJEPQESRRMAY-INIZCTEOSA-N 1 0 290.455 2.434 10 0 CEAERO Cc1nccn1CCN1C[C@H](C(C)C)[NH2+]CC12CCCC2 ZINC000068704652 527426751 /nfs/dbraw/zinc/42/67/51/527426751.db2.gz VPVJEPQESRRMAY-MRXNPFEDSA-N 1 0 290.455 2.434 10 0 CEAERO Cc1nccn1C[C@@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000052576198 527443173 /nfs/dbraw/zinc/44/31/73/527443173.db2.gz XUGAFPVISGMWQJ-STQMWFEESA-N 1 0 251.374 2.127 10 0 CEAERO Cn1ccnc1[C@H]([NH3+])C1(c2ccccc2)CCOCC1 ZINC000069473940 527463793 /nfs/dbraw/zinc/46/37/93/527463793.db2.gz GQXJUFZEXHTJIA-AWEZNQCLSA-N 1 0 271.364 2.168 10 0 CEAERO OC1(Cc2ccccc2Br)CC[NH2+]CC1 ZINC000055189685 527511344 /nfs/dbraw/zinc/51/13/44/527511344.db2.gz SPEZCFYMAAOEPB-UHFFFAOYSA-N 1 0 270.170 2.106 10 0 CEAERO Nc1cc[nH+]cc1[C@@H](O)c1cc(F)c(F)c(F)c1 ZINC000070319731 527535496 /nfs/dbraw/zinc/53/54/96/527535496.db2.gz SQILTPSUFGHJPI-LBPRGKRZSA-N 1 0 254.211 2.163 10 0 CEAERO O=C([O-])CCC1CC[NH+](CCC[NH+]2CCCC2)CC1 ZINC000050926638 527575699 /nfs/dbraw/zinc/57/56/99/527575699.db2.gz NVQBULWEMXYTQO-UHFFFAOYSA-N 1 0 268.401 2.049 10 0 CEAERO Cn1nccc1[C@@H]([NH3+])Cc1ccc(F)cc1Cl ZINC000069467953 527623992 /nfs/dbraw/zinc/62/39/92/527623992.db2.gz XJZHRSKAHRXRRO-NSHDSACASA-N 1 0 253.708 2.455 10 0 CEAERO Cn1nccc1[C@H]([NH3+])c1ccccc1Br ZINC000069021322 527628140 /nfs/dbraw/zinc/62/81/40/527628140.db2.gz AWWDHSLVWSWLDI-LLVKDONJSA-N 1 0 266.142 2.231 10 0 CEAERO CCOC(=O)c1ccc(N(C)C[C@H]2CCC[N@@H+]2CC)nc1 ZINC000175167894 528225277 /nfs/dbraw/zinc/22/52/77/528225277.db2.gz IRYRLLJUDXTICS-CQSZACIVSA-N 1 0 291.395 2.179 10 0 CEAERO CCC(O)(CC)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000165198780 528965746 /nfs/dbraw/zinc/96/57/46/528965746.db2.gz QNYDYZITAKQQSF-UHFFFAOYSA-N 1 0 280.387 2.499 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCc1ccsc1 ZINC000177358030 529066584 /nfs/dbraw/zinc/06/65/84/529066584.db2.gz UVSPCOUWXQMXAI-CQSZACIVSA-N 1 0 295.452 2.416 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1c(C)noc1C ZINC000175349693 529097228 /nfs/dbraw/zinc/09/72/28/529097228.db2.gz HDVRHHIUOFRZHM-ZDUSSCGKSA-N 1 0 251.374 2.208 10 0 CEAERO CC[C@H]1CN(Cc2nc(C)c(C)s2)CC[N@@H+]1C[C@@H](C)O ZINC000176359202 529298674 /nfs/dbraw/zinc/29/86/74/529298674.db2.gz LKWOSMCXGGDQLK-RISCZKNCSA-N 1 0 297.468 2.037 10 0 CEAERO CCOCCCOc1ccccc1N1CCC[C@@H]([NH3+])C1 ZINC000087326256 535552400 /nfs/dbraw/zinc/55/24/00/535552400.db2.gz BGMXPBIXYRRXLV-CQSZACIVSA-N 1 0 278.396 2.420 10 0 CEAERO CC[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)C(C)C ZINC000089733157 535933764 /nfs/dbraw/zinc/93/37/64/535933764.db2.gz GTGZIPYCKNVCLO-KGLIPLIRSA-N 1 0 262.401 2.470 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000227383782 538816613 /nfs/dbraw/zinc/81/66/13/538816613.db2.gz JVNQQAIXQXFOII-BYNSBNAKSA-N 1 0 258.365 2.034 10 0 CEAERO C[N@@H+]1CC(CO)=C[C@H]2c3cccc4[nH]cc(c43)C[C@@H]21 ZINC000004991226 560200349 /nfs/dbraw/zinc/20/03/49/560200349.db2.gz DAVNRFCJMIONPO-ZFWWWQNUSA-N 1 0 254.333 2.040 10 0 in-vitro CEAERO COc1cc2c(cc1O)CC[N@H+]1CC=C3C=C[C@H](OC)C[C@]321 ZINC000028109109 571741515 /nfs/dbraw/zinc/74/15/15/571741515.db2.gz BDIVMECULLJBMU-KSSFIOAISA-N 1 0 299.370 2.369 10 0 endogenous,in-man CEAERO Cc1c(C[NH2+]CCc2ncc(C)cc2C)cnn1C ZINC000401061409 574510676 /nfs/dbraw/zinc/51/06/76/574510676.db2.gz FALPLZHHORXRQW-UHFFFAOYSA-N 1 0 258.369 2.073 10 0 CEAERO Cc1cc(C[C@H]([NH3+])CC2OCCO2)ccc1Cl ZINC000757153793 574511114 /nfs/dbraw/zinc/51/11/14/574511114.db2.gz SJJKDRMWPSJPBA-NSHDSACASA-N 1 0 255.745 2.281 10 0 CEAERO CCOC(=O)[C@@H]1CC[C@@H](c2ccc(C=O)s2)[NH2+]C1 ZINC000757216534 574513433 /nfs/dbraw/zinc/51/34/33/574513433.db2.gz QDUUQDQYQJXYGE-KOLCDFICSA-N 1 0 267.350 2.164 10 0 CEAERO COC(=O)C1(c2ccc(OC(C)C)cc2)CC([NH3+])C1 ZINC000757178105 574511429 /nfs/dbraw/zinc/51/14/29/574511429.db2.gz SCEQGYNGJHCOGZ-UHFFFAOYSA-N 1 0 263.337 2.006 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@H](C[NH3+])C[C@@H]1[C@@H]1CCCO1 ZINC000725268810 567924419 /nfs/dbraw/zinc/92/44/19/567924419.db2.gz BQWPNCKIFCTHKP-XQQFMLRXSA-N 1 0 284.400 2.140 10 0 CEAERO C[C@@H]1CN(C(=O)Nc2ccccc2Cl)C[C@@H]1[NH3+] ZINC000235325495 625311723 /nfs/dbraw/zinc/31/17/23/625311723.db2.gz SOWDYPNVDGJAGJ-SCZZXKLOSA-N 1 0 253.733 2.151 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1Cn1c(=O)ccc2ccccc21 ZINC000095364108 625461617 /nfs/dbraw/zinc/46/16/17/625461617.db2.gz MNDCARIWIGUPNA-CQSZACIVSA-N 1 0 256.349 2.486 10 0 CEAERO Cc1csc2c1ncnc2N1CC[C@@](C)(C[NH3+])C1 ZINC000235962243 625579609 /nfs/dbraw/zinc/57/96/09/625579609.db2.gz DWYDFLHGDFGTQG-ZDUSSCGKSA-N 1 0 262.382 2.175 10 0 CEAERO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)CCCCCCO ZINC000175777944 622873504 /nfs/dbraw/zinc/87/35/04/622873504.db2.gz QHVJYDQUSVGYPH-LBPRGKRZSA-N 1 0 259.390 2.201 10 0 CEAERO CCCN(CCC)S(=O)(=O)C[C@H]([NH3+])c1ccccc1 ZINC000757147492 622916790 /nfs/dbraw/zinc/91/67/90/622916790.db2.gz CCLHZNNPNOFUTN-AWEZNQCLSA-N 1 0 284.425 2.138 10 0 CEAERO C[C@H]1CN(Cc2ccc(Br)cc2F)C[C@@H]1[NH3+] ZINC000235641772 625684152 /nfs/dbraw/zinc/68/41/52/625684152.db2.gz GJFXYLWXXBTLBC-UFBFGSQYSA-N 1 0 287.176 2.367 10 0 CEAERO C[C@H]1CN(C(=O)c2csc3ccccc23)C[C@H]1[NH3+] ZINC000235685583 625705170 /nfs/dbraw/zinc/70/51/70/625705170.db2.gz JKNVZWFMMQATHP-JOYOIKCWSA-N 1 0 260.362 2.321 10 0 CEAERO C[C@H]1CN(C(=O)c2ccc(C(C)(C)C)cc2)C[C@H]1[NH3+] ZINC000235687631 625710246 /nfs/dbraw/zinc/71/02/46/625710246.db2.gz OYUFSOHBLXAQKF-SMDDNHRTSA-N 1 0 260.381 2.403 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1c1nc([C@H]2CCOc3ccccc32)no1 ZINC000235273815 625202353 /nfs/dbraw/zinc/20/23/53/625202353.db2.gz RGVBJAXTGKJHEV-KGYLQXTDSA-N 1 0 285.347 2.307 10 0 CEAERO Cc1nc(NC[C@H]2CC[NH2+]C2)ccc1Br ZINC000235952362 625798602 /nfs/dbraw/zinc/79/86/02/625798602.db2.gz WGBIFBJOGITHFG-VIFPVBQESA-N 1 0 270.174 2.174 10 0 CEAERO CCCCOC(=O)[C@@H](C)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000177702643 625831242 /nfs/dbraw/zinc/83/12/42/625831242.db2.gz YVHSUXZTZUDRDN-KGLIPLIRSA-N 1 0 270.417 2.134 10 0 CEAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)C[C@@H]2CCC(=O)N2)o1 ZINC000310876851 627310519 /nfs/dbraw/zinc/31/05/19/627310519.db2.gz UUWMDOQQSGXPDO-DLOVCJGASA-N 1 0 250.342 2.296 10 0 CEAERO CC(C)(C)c1nnc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)s1 ZINC000236658197 627950301 /nfs/dbraw/zinc/95/03/01/627950301.db2.gz HVTVYEAHHAKHDH-IUCAKERBSA-N 1 0 282.413 2.292 10 0 CEAERO C[C@@H]([NH2+]CC(=O)NC1CCCCCCC1)[C@H]1CCCO1 ZINC000183168591 628178133 /nfs/dbraw/zinc/17/81/33/628178133.db2.gz XZWRKLQMHCRBLR-UKRRQHHQSA-N 1 0 282.428 2.373 10 0 CEAERO CCOC1CC(CC(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000188022681 628283378 /nfs/dbraw/zinc/28/33/78/628283378.db2.gz IDUNQROLRNSNMQ-SLTAFYQDSA-N 1 0 282.428 2.134 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1c1nnc(C(F)F)s1 ZINC000310078221 628349068 /nfs/dbraw/zinc/34/90/68/628349068.db2.gz HIGXDMPRNGETDY-SSDOTTSWSA-N 1 0 262.329 2.054 10 0 CEAERO C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000313535458 628614751 /nfs/dbraw/zinc/61/47/51/628614751.db2.gz QGBWENJTIFGAMZ-YYMFUCNWSA-N 1 0 276.424 2.458 10 0 CEAERO COC(=O)[C@H]1C[N@H+](Cc2ccc(F)cc2C)C[C@@H]1C ZINC000219826630 628817234 /nfs/dbraw/zinc/81/72/34/628817234.db2.gz UEGOUSNCEDMAEJ-FZMZJTMJSA-N 1 0 265.328 2.375 10 0 CEAERO COc1ccc(Cl)cc1CN1CC[C@@H]([NH3+])[C@@H]1C ZINC000310273141 628929182 /nfs/dbraw/zinc/92/91/82/628929182.db2.gz IXQGYBWXUDYGEO-JOYOIKCWSA-N 1 0 254.761 2.270 10 0 CEAERO Cc1nc(N2CC[C@H]([C@H](C)[NH3+])C2)ccc1Br ZINC000261533367 628935692 /nfs/dbraw/zinc/93/56/92/628935692.db2.gz HHSCNFGUXFGCEI-WPRPVWTQSA-N 1 0 284.201 2.326 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)Nc1ccc(C)c(Cl)c1 ZINC000261555522 628937852 /nfs/dbraw/zinc/93/78/52/628937852.db2.gz PVDZQLKJULNRSX-VIFPVBQESA-N 1 0 255.749 2.378 10 0 CEAERO COc1ccc(Br)c(CN2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC000261564238 628939227 /nfs/dbraw/zinc/93/92/27/628939227.db2.gz XPJOKBWAVOXONA-NOZJJQNGSA-N 1 0 299.212 2.379 10 0 CEAERO C[C@H](CNC(=O)CC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000261580520 628941544 /nfs/dbraw/zinc/94/15/44/628941544.db2.gz FMWCTNBHCJDUQF-UKRRQHHQSA-N 1 0 260.381 2.439 10 0 CEAERO COC(=O)[C@@H]1C[N@H+](CCOc2cccc(C)c2)C[C@@H]1C ZINC000094996782 628946206 /nfs/dbraw/zinc/94/62/06/628946206.db2.gz KVEVJXPDHUKHQS-DZGCQCFKSA-N 1 0 277.364 2.115 10 0 CEAERO CCC(CC)(C[NH3+])C(=O)N[C@H](C)c1csc(C)n1 ZINC000261611880 628948358 /nfs/dbraw/zinc/94/83/58/628948358.db2.gz AVMJMWAFVOVHMX-SECBINFHSA-N 1 0 269.414 2.394 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)OC)c(C)c1 ZINC000237005586 629148436 /nfs/dbraw/zinc/14/84/36/629148436.db2.gz WBACQQWZLKQWBI-NOZJJQNGSA-N 1 0 278.352 2.094 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)c1cc2ccc(F)cc2nc1C ZINC000261833454 629263894 /nfs/dbraw/zinc/26/38/94/629263894.db2.gz VOUYJQLGXMCPFV-VIFPVBQESA-N 1 0 275.327 2.020 10 0 CEAERO 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COc1cccc(Cc2nc(C[C@H]3CCC[NH2+]C3)no2)c1 ZINC000063084553 639824172 /nfs/dbraw/zinc/82/41/72/639824172.db2.gz CEZREQXPHBNRDS-CYBMUJFWSA-N 1 0 287.363 2.211 10 0 CEAERO C[C@@H]([NH3+])CCNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000063171219 639837693 /nfs/dbraw/zinc/83/76/93/639837693.db2.gz YLAUEPQHHLVHIX-SSDOTTSWSA-N 1 0 297.207 2.009 10 0 CEAERO CO[C@@H](C)CC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000173925906 639883514 /nfs/dbraw/zinc/88/35/14/639883514.db2.gz ZHRWVTKPMSQZHN-STQMWFEESA-N 1 0 287.363 2.475 10 0 CEAERO Cc1nn(C)c(C[NH2+]CC[C@@H]2CCCO2)c1Cl ZINC000089232039 640197075 /nfs/dbraw/zinc/19/70/75/640197075.db2.gz PJCOVYXYVOQYMI-JTQLQIEISA-N 1 0 257.765 2.041 10 0 CEAERO CC1(C)CCC[NH2+][C@H]1C(=O)N[C@@H]1CCOc2ccccc21 ZINC000232943210 641223221 /nfs/dbraw/zinc/22/32/21/641223221.db2.gz AAKVQDQTWUXJCF-HIFRSBDPSA-N 1 0 288.391 2.405 10 0 CEAERO C[C@]1(O)CC[N@H+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000179615536 641369013 /nfs/dbraw/zinc/36/90/13/641369013.db2.gz OUODPDPIJWQKBI-ZFWWWQNUSA-N 1 0 294.782 2.290 10 0 CEAERO Cc1ccc([C@H](C)[NH2+]CC(=O)N2CCO[C@@H](C)C2)cc1F ZINC000181366424 641543866 /nfs/dbraw/zinc/54/38/66/641543866.db2.gz CGZFNUJLSHQIGD-STQMWFEESA-N 1 0 294.370 2.032 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(N)ccc1Cl ZINC000251671032 641569651 /nfs/dbraw/zinc/56/96/51/641569651.db2.gz HJHYPGJQSATJFR-JQWIXIFHSA-N 1 0 293.798 2.231 10 0 CEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(C)OCc1ccccc1 ZINC000181702289 641585569 /nfs/dbraw/zinc/58/55/69/641585569.db2.gz HYMAYMIDHNOMAK-AWEZNQCLSA-N 1 0 293.411 2.490 10 0 CEAERO C(c1noc([C@H]2CCCS2)n1)[C@@H]1CCC[NH2+]C1 ZINC000070438541 641668514 /nfs/dbraw/zinc/66/85/14/641668514.db2.gz MMQNWFJRQPAVRM-VHSXEESVSA-N 1 0 253.371 2.180 10 0 CEAERO CC(=O)Oc1ccc(C[NH2+][C@@H](C)[C@H]2CCCO2)cc1 ZINC000183233851 641720397 /nfs/dbraw/zinc/72/03/97/641720397.db2.gz IQNLOXGLXSCXCL-XHDPSFHLSA-N 1 0 263.337 2.269 10 0 CEAERO COC[C@@H]([NH2+]C[C@](C)(O)c1ccccc1)c1ccco1 ZINC000184589765 641877212 /nfs/dbraw/zinc/87/72/12/641877212.db2.gz VMJGCUAWZKDUEF-ZBFHGGJFSA-N 1 0 275.348 2.464 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCCCCCC2)C1 ZINC000057870109 642572597 /nfs/dbraw/zinc/57/25/97/642572597.db2.gz QLEFZPTYITZGTN-CQSZACIVSA-N 1 0 267.417 2.446 10 0 CEAERO O=C1CCCN1[C@@H]1CCC[N@H+](C/C=C\c2ccco2)C1 ZINC000229525451 643384520 /nfs/dbraw/zinc/38/45/20/643384520.db2.gz LTVGQVSPEODTIC-OKEUPSHZSA-N 1 0 274.364 2.380 10 0 CEAERO O=C(Nc1cccnc1Cl)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000126740146 650926715 /nfs/dbraw/zinc/92/67/15/650926715.db2.gz YDRCXROSKLDKQY-NSHDSACASA-N 1 0 294.786 2.437 10 0 CEAERO [NH3+][C@H](CC(=O)NC1C2CC3CC(C2)CC1C3)C1CC1 ZINC000123704914 649116766 /nfs/dbraw/zinc/11/67/66/649116766.db2.gz SSKIIXOYEPREKT-MMIPJWKKSA-N 1 0 262.397 2.055 10 0 CEAERO C[C@H]1CN(Cc2ccnc(Cl)c2)C[C@@H]1[NH+](C)C ZINC000124117663 649401124 /nfs/dbraw/zinc/40/11/24/649401124.db2.gz DGJPKOARWCJKKA-JQWIXIFHSA-N 1 0 253.777 2.117 10 0 CEAERO COc1cc(-c2nc(C[C@@H]3CCC[NH2+]C3)no2)ccc1F ZINC000127858965 651327670 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ZINC000216191742 652969145 /nfs/dbraw/zinc/96/91/45/652969145.db2.gz ZYVHUARQCAQHRQ-IUCAKERBSA-N 1 0 259.275 2.274 10 0 CEAERO [NH3+]C1CC(CNC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000216586855 652990351 /nfs/dbraw/zinc/99/03/51/652990351.db2.gz FDLJIRBIEOYMJI-WIFZPCQCSA-N 1 0 278.318 2.209 10 0 CEAERO COC(=O)Nc1cccc(NC(=O)C[C@H]([NH3+])C(C)C)c1 ZINC000136368764 653070313 /nfs/dbraw/zinc/07/03/13/653070313.db2.gz FWVFJNAYJYLXTG-LBPRGKRZSA-N 1 0 279.340 2.177 10 0 CEAERO COc1cccc(C2(NC(=O)C(C)(C)[NH3+])CCCC2)c1 ZINC000082257450 177930582 /nfs/dbraw/zinc/93/05/82/177930582.db2.gz UGQUHWDMNADHSG-UHFFFAOYSA-N 1 0 276.380 2.318 10 0 CEAERO O=C(Nc1ccc(-c2ccccn2)cc1)[C@@H]1CCC[NH2+]1 ZINC000082258018 177930840 /nfs/dbraw/zinc/93/08/40/177930840.db2.gz ODCFITXGPZRLSO-HNNXBMFYSA-N 1 0 267.332 2.439 10 0 CEAERO COc1cc(OC)cc(-c2ncc(CCC[NH3+])o2)c1 ZINC000082296805 177951145 /nfs/dbraw/zinc/95/11/45/177951145.db2.gz CRUPXWAFPMQIPK-UHFFFAOYSA-N 1 0 262.309 2.250 10 0 CEAERO CCC[NH2+]Cc1sc(CS(C)(=O)=O)nc1CCC ZINC000082427888 178003817 /nfs/dbraw/zinc/00/38/17/178003817.db2.gz PCXXFUOWBIFFGU-UHFFFAOYSA-N 1 0 290.454 2.140 10 0 CEAERO COCc1nc(-c2ccccc2OC)sc1C[NH3+] ZINC000082446353 178023897 /nfs/dbraw/zinc/02/38/97/178023897.db2.gz IOBLGDFKCIFZTO-UHFFFAOYSA-N 1 0 264.350 2.424 10 0 CEAERO CCC[NH2+]Cc1sc(N2CCCC2)nc1COC ZINC000082447127 178025684 /nfs/dbraw/zinc/02/56/84/178025684.db2.gz OLSMQNPSYOFIQV-UHFFFAOYSA-N 1 0 269.414 2.389 10 0 CEAERO C[C@H]([NH2+]C1COC1)c1cccc(Br)c1 ZINC000082488148 178056640 /nfs/dbraw/zinc/05/66/40/178056640.db2.gz WDJPYLIBMWQJJQ-QMMMGPOBSA-N 1 0 256.143 2.499 10 0 CEAERO OC[C@H]1C[N@H+](C[C@@H]2CCCC2(F)F)CCC1(F)F ZINC000336266711 365541162 /nfs/dbraw/zinc/54/11/62/365541162.db2.gz HKPGPKMQIJYIOC-VHSXEESVSA-N 1 0 269.282 2.371 10 0 CEAERO Cn1nc(C[NH3+])cc1-c1ccc(Br)s1 ZINC000082577207 178117679 /nfs/dbraw/zinc/11/76/79/178117679.db2.gz VNYHXJGAVPBVPX-UHFFFAOYSA-N 1 0 272.171 2.370 10 0 CEAERO [NH3+]CCc1cc(-c2cc(Br)cs2)n[nH]1 ZINC000082577211 178117745 /nfs/dbraw/zinc/11/77/45/178117745.db2.gz MVYVXSZDUYCFOI-UHFFFAOYSA-N 1 0 272.171 2.402 10 0 CEAERO CCC[NH2+]C[C@@H](C)Sc1nnc(N(C)C)s1 ZINC000082580238 178119389 /nfs/dbraw/zinc/11/93/89/178119389.db2.gz BFWOFJPCYNRKOD-MRVPVSSYSA-N 1 0 260.432 2.084 10 0 CEAERO COc1cc(OC)c(C[C@@H]2CCC[NH2+]2)c(OC)c1 ZINC000082619461 178127899 /nfs/dbraw/zinc/12/78/99/178127899.db2.gz KUCYZEKNYIFJJG-JTQLQIEISA-N 1 0 251.326 2.007 10 0 CEAERO C[C@H]1CCCN(C(=O)CN2CCCC[C@@H]2c2cn[nH]c2)C1 ZINC000121799829 365616053 /nfs/dbraw/zinc/61/60/53/365616053.db2.gz DIIMMCSRPUGVLX-DZGCQCFKSA-N 1 0 290.411 2.195 10 0 CEAERO [NH3+]CCCCCS(=O)(=O)c1cccc(Cl)c1 ZINC000082790969 178295829 /nfs/dbraw/zinc/29/58/29/178295829.db2.gz BFRXDPIFYGPKMF-UHFFFAOYSA-N 1 0 261.774 2.243 10 0 CEAERO [NH3+]CC1(c2ccccc2Br)CC(=O)C1 ZINC000082999626 178333607 /nfs/dbraw/zinc/33/36/07/178333607.db2.gz MYDGJBUSPZOCTR-UHFFFAOYSA-N 1 0 254.127 2.009 10 0 CEAERO C[C@H](C[C@](C)(O)C[NH3+])Sc1ncccc1Cl ZINC000082917646 178329581 /nfs/dbraw/zinc/32/95/81/178329581.db2.gz FKMHKRGVOWSBFY-KCJUWKMLSA-N 1 0 260.790 2.315 10 0 CEAERO CC[NH2+]CCc1cc(Br)c(O)c(OC)c1 ZINC000082954760 178329986 /nfs/dbraw/zinc/32/99/86/178329986.db2.gz LEWMMNZEPGRUDM-UHFFFAOYSA-N 1 0 274.158 2.315 10 0 CEAERO [NH3+][C@]1(Cc2ccc(Br)cc2)CCOC1 ZINC000083186917 178352123 /nfs/dbraw/zinc/35/21/23/178352123.db2.gz FFOKXCFWLLLZDU-NSHDSACASA-N 1 0 256.143 2.109 10 0 CEAERO Cc1ccc([S@@](=O)C[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000083309216 178380326 /nfs/dbraw/zinc/38/03/26/178380326.db2.gz MXHRUKTWTFFMPK-SUMWQHHRSA-N 1 0 251.395 2.411 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C)CN1CCc1ccccc1F ZINC000083383573 178386234 /nfs/dbraw/zinc/38/62/34/178386234.db2.gz LWWVYDCEPLHEQR-TZMCWYRMSA-N 1 0 250.361 2.441 10 0 CEAERO Cc1ccc2n1CCN(C(=O)CC1([NH3+])CCCC1)[C@@H]2C ZINC000096809676 185115032 /nfs/dbraw/zinc/11/50/32/185115032.db2.gz UMXGIAOOWLKPKL-CYBMUJFWSA-N 1 0 275.396 2.361 10 0 CEAERO COCCC[N@@H+](Cc1ccc(C)cc1)C[C@@H](C)O ZINC000036094996 361827978 /nfs/dbraw/zinc/82/79/78/361827978.db2.gz KDQRBTLILBYBCG-CQSZACIVSA-N 1 0 251.370 2.214 10 0 CEAERO CN(C)[C@@H](C[NH3+])c1ccc(Br)cc1F ZINC000036670308 361850742 /nfs/dbraw/zinc/85/07/42/361850742.db2.gz PUNUMDVFEHTJOM-JTQLQIEISA-N 1 0 261.138 2.150 10 0 CEAERO CC[C@@H]([NH3+])[C@H](O)c1cc(Br)ccc1F ZINC000036779126 361857113 /nfs/dbraw/zinc/85/71/13/361857113.db2.gz YZXVMQXSMQCSMU-NXEZZACHSA-N 1 0 262.122 2.359 10 0 CEAERO C[NH2+]CC(=O)c1cc(OC)c(C(C)C)cc1OC ZINC000096889937 185124176 /nfs/dbraw/zinc/12/41/76/185124176.db2.gz LMYMZHYUJFBKEZ-UHFFFAOYSA-N 1 0 251.326 2.229 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC000096897194 185124787 /nfs/dbraw/zinc/12/47/87/185124787.db2.gz OEFXICZJKJOJRG-VXGBXAGGSA-N 1 0 254.374 2.386 10 0 CEAERO CCS(=O)(=O)c1ccc([C@H](CC[NH3+])C2CC2)cc1 ZINC000096890987 185124859 /nfs/dbraw/zinc/12/48/59/185124859.db2.gz NGYNFGBKJVPCSS-CQSZACIVSA-N 1 0 267.394 2.323 10 0 CEAERO CCOc1ccccc1[C@@H](C)[NH2+]CCC(=O)OC ZINC000036891735 361867126 /nfs/dbraw/zinc/86/71/26/361867126.db2.gz VEOIHSUYFGDESZ-LLVKDONJSA-N 1 0 251.326 2.299 10 0 CEAERO C[C@H]1CN([C@@H](C[NH3+])c2c(F)cccc2F)C[C@H](C)O1 ZINC000036875096 361867842 /nfs/dbraw/zinc/86/78/42/361867842.db2.gz HVFGHHOKVPKQMW-KWBADKCTSA-N 1 0 270.323 2.074 10 0 CEAERO CC(C)(C)OC(=O)N1C[C@@H](C2CCCC2)[C@H]([NH3+])C1 ZINC000096958573 185142719 /nfs/dbraw/zinc/14/27/19/185142719.db2.gz XGXJEKCLYUOWCN-NWDGAFQWSA-N 1 0 254.374 2.371 10 0 CEAERO COc1ccc(Cl)cc1-n1cncc1C1C[NH2+]C1 ZINC000097008104 185150906 /nfs/dbraw/zinc/15/09/06/185150906.db2.gz SDOYOUYXBXLUPP-UHFFFAOYSA-N 1 0 263.728 2.221 10 0 CEAERO Cc1ccc(C[C@H](C)NC(=O)C[C@@H]2CCC[NH2+]C2)s1 ZINC000080243446 344004204 /nfs/dbraw/zinc/00/42/04/344004204.db2.gz UDNGYLRZTNYTPC-AAEUAGOBSA-N 1 0 280.437 2.493 10 0 CEAERO [NH3+]C1CCC(C(=O)NCCCOC2CCCCC2)CC1 ZINC000040829848 362002050 /nfs/dbraw/zinc/00/20/50/362002050.db2.gz RUSQRATZMOKSJN-UHFFFAOYSA-N 1 0 282.428 2.360 10 0 CEAERO COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)CC2 ZINC000129500220 539164320 /nfs/dbraw/zinc/16/43/20/539164320.db2.gz KOLPZYNPSHBCJR-OAGGEKHMSA-N 1 0 275.392 2.446 10 0 CEAERO CC(C)C[C@H](C[NH3+])CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000088277321 539173652 /nfs/dbraw/zinc/17/36/52/539173652.db2.gz SOCTZZZPCUXDSC-RRFJBIMHSA-N 1 0 282.428 2.168 10 0 CEAERO COC(=O)C[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000723605942 539174748 /nfs/dbraw/zinc/17/47/48/539174748.db2.gz FESNTZSMIITRCB-LURJTMIESA-N 1 0 278.171 2.116 10 0 CEAERO CC[C@@H](NC(=O)c1cccc2c1CC[NH2+]C2)C(C)C ZINC000124226299 539185476 /nfs/dbraw/zinc/18/54/76/539185476.db2.gz LTXVYMBIGVRITG-OAHLLOKOSA-N 1 0 260.381 2.497 10 0 CEAERO CC(C)[C@H](C)C(=O)N[C@@H]1CC[NH2+]CC[C@@H]1C(F)(F)F ZINC000725262585 539210956 /nfs/dbraw/zinc/21/09/56/539210956.db2.gz HVYLQNXQANDGBH-GARJFASQSA-N 1 0 280.334 2.325 10 0 CEAERO CC(C)(C)NC(=O)N1CC[C@@H]2CC[C@@]21[C@@H]1CCC[NH2+]C1 ZINC000725263686 539212316 /nfs/dbraw/zinc/21/23/16/539212316.db2.gz ZNAPZNGYOWAWEM-ZENOOKHLSA-N 1 0 279.428 2.349 10 0 CEAERO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H]2CCOC23CCCC3)C1 ZINC000725263996 539212520 /nfs/dbraw/zinc/21/25/20/539212520.db2.gz ZQXFCBUPQSZIBC-UONOGXRCSA-N 1 0 281.396 2.363 10 0 CEAERO CC[N@H+](CCO)[C@H](C)c1cnn(CC2CCC2)c1 ZINC000725264481 539212777 /nfs/dbraw/zinc/21/27/77/539212777.db2.gz PZJFMFITDGIRHN-GFCCVEGCSA-N 1 0 251.374 2.058 10 0 CEAERO CCC[C@@H]1C[C@H]2CC[C@H]([NH+]3CCOCC3)[C@@H](C1)C2=O ZINC000725268124 539214145 /nfs/dbraw/zinc/21/41/45/539214145.db2.gz ABALYXMNAXJHQG-TUVASFSCSA-N 1 0 265.397 2.493 10 0 CEAERO C[C@@H](C(=O)N1CCC2(CC1)C[NH2+]C[C@@H](C)O2)C(C)(C)C ZINC000725271321 539215288 /nfs/dbraw/zinc/21/52/88/539215288.db2.gz CFUPHRNMFADUSR-OLZOCXBDSA-N 1 0 282.428 2.038 10 0 CEAERO C[N@@H+](Cc1ccc2ccccc2n1)C[C@@H](O)C1CC1 ZINC000079770106 539224149 /nfs/dbraw/zinc/22/41/49/539224149.db2.gz NFLYLFOSDYKYRJ-MRXNPFEDSA-N 1 0 256.349 2.438 10 0 CEAERO Cn1cc(C[NH2+][C@H]2CCC[C@H](O)C2)c(C(C)(C)C)n1 ZINC000126530728 539231770 /nfs/dbraw/zinc/23/17/70/539231770.db2.gz QXNATAFKSNWQSI-STQMWFEESA-N 1 0 265.401 2.111 10 0 CEAERO Cc1ccc(CNC(=O)[C@H]2C[C@@H](C)CC[NH2+]2)cc1F ZINC000126114672 187217914 /nfs/dbraw/zinc/21/79/14/187217914.db2.gz QBXDMFQUEBKHIA-IINYFYTJSA-N 1 0 264.344 2.138 10 0 CEAERO O[C@H](COCc1ccccc1)C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000677731223 539260972 /nfs/dbraw/zinc/26/09/72/539260972.db2.gz IIPPUGTWURCYIW-AWEZNQCLSA-N 1 0 297.345 2.295 10 0 CEAERO CC1(C)CCc2ccccc2[C@H]1[NH2+]C[C@H]1CNC(=O)C1 ZINC000398333041 539261909 /nfs/dbraw/zinc/26/19/09/539261909.db2.gz GRQKFYFRNVKEIW-MLGOLLRUSA-N 1 0 272.392 2.426 10 0 CEAERO C[C@@H]1C[C@H](C)C[N@@H+](CCN2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)C1 ZINC000398790573 539262687 /nfs/dbraw/zinc/26/26/87/539262687.db2.gz NJXLUHIIEZLWLN-DMRKSPOLSA-N 1 0 280.456 2.057 10 0 CEAERO COc1cc(CN2C[C@H]3CCCC[N@@H+]3C[C@H]2C)sn1 ZINC000399076677 539263594 /nfs/dbraw/zinc/26/35/94/539263594.db2.gz VBONQKMMJDAPAH-VXGBXAGGSA-N 1 0 281.425 2.210 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C[C@@H](C)SC ZINC000126377251 365709124 /nfs/dbraw/zinc/70/91/24/365709124.db2.gz XAQOEDSKRCAVRA-VXGBXAGGSA-N 1 0 258.431 2.071 10 0 CEAERO C[C@@H]1C[C@@H]([NH2+]CCCn2ccnn2)CC(C)(C)C1 ZINC000126497753 187243739 /nfs/dbraw/zinc/24/37/39/187243739.db2.gz SKNITPBYTBJHHJ-CHWSQXEVSA-N 1 0 250.390 2.473 10 0 CEAERO CC[C@H]([NH3+])[C@@H](O)c1cc(Br)cs1 ZINC000043289794 362142519 /nfs/dbraw/zinc/14/25/19/362142519.db2.gz ZCRYKROQGCXKSK-POYBYMJQSA-N 1 0 250.161 2.281 10 0 CEAERO COc1nc2ccccc2nc1NC[C@H]1CCC[NH2+]C1 ZINC000043220279 362139686 /nfs/dbraw/zinc/13/96/86/362139686.db2.gz SROBWNMYVYPHPW-NSHDSACASA-N 1 0 272.352 2.050 10 0 CEAERO CCOC(OCC)C(=O)CCC[NH+]1CCCCC1 ZINC000043504215 362146992 /nfs/dbraw/zinc/14/69/92/362146992.db2.gz GEZJILBJAXPFNW-UHFFFAOYSA-N 1 0 257.374 2.221 10 0 CEAERO O=C(CC[C@H]1CCC[NH2+]C1)N[C@@H]1CCOc2ccccc21 ZINC000043588734 362147620 /nfs/dbraw/zinc/14/76/20/362147620.db2.gz SPFMDUWGSIAAGV-UKRRQHHQSA-N 1 0 288.391 2.406 10 0 CEAERO N[C@H](C[NH3+])c1ccc(Br)c(Br)c1 ZINC000044472701 362153584 /nfs/dbraw/zinc/15/35/84/362153584.db2.gz FYRPTKQOISEHBW-MRVPVSSYSA-N 1 0 293.990 2.170 10 0 CEAERO COc1ccc(CN2CCCC[C@@H]2C[NH3+])c(OC)c1 ZINC000044539899 362153700 /nfs/dbraw/zinc/15/37/00/362153700.db2.gz CZVGPWHIAOBAAJ-CYBMUJFWSA-N 1 0 264.369 2.017 10 0 CEAERO C[C@@H](COc1ccccc1)NC(=O)C[N@@H+]1CCCC[C@H]1C ZINC000005735610 343354616 /nfs/dbraw/zinc/35/46/16/343354616.db2.gz BSXYTWIMVKWVPG-LSDHHAIUSA-N 1 0 290.407 2.445 10 0 CEAERO [NH3+]C[C@@H](O)c1ccc(F)c(OCc2ccccc2)c1 ZINC000032241340 343412143 /nfs/dbraw/zinc/41/21/43/343412143.db2.gz LBXBEDXTBAXUPP-CQSZACIVSA-N 1 0 261.296 2.397 10 0 CEAERO COc1cc(C[NH2+][C@@H]2CCC[C@@H](O)C2)cc(OC)c1OC ZINC000037164266 343426101 /nfs/dbraw/zinc/42/61/01/343426101.db2.gz GOHAMCMBAWJBBY-CHWSQXEVSA-N 1 0 295.379 2.106 10 0 CEAERO O[C@H]1CCC[C@@H]([NH2+]Cc2cnn(-c3ccccc3)c2)C1 ZINC000037164968 343426239 /nfs/dbraw/zinc/42/62/39/343426239.db2.gz WWYBZWQPFFHQAC-ZBFHGGJFSA-N 1 0 271.364 2.265 10 0 CEAERO [NH3+]C1CCC(C(=O)Nc2ccc(N3CCCC3)nc2)CC1 ZINC000037628054 343430502 /nfs/dbraw/zinc/43/05/02/343430502.db2.gz CCYCKZINOHVDPJ-UHFFFAOYSA-N 1 0 288.395 2.138 10 0 CEAERO COC(=O)c1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000039043874 343435375 /nfs/dbraw/zinc/43/53/75/343435375.db2.gz GVOAKBALEAPHFM-UHFFFAOYSA-N 1 0 263.337 2.338 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)N2CCOCC2)C1(CC)CC ZINC000245922630 539313182 /nfs/dbraw/zinc/31/31/82/539313182.db2.gz RBZUZNSXCZGNCR-HRCADAONSA-N 1 0 298.471 2.281 10 0 CEAERO O[C@@]1(Cc2ccc(Br)s2)CCC[NH2+]C1 ZINC000083504308 178534685 /nfs/dbraw/zinc/53/46/85/178534685.db2.gz WGZKNWRICRGNRA-SNVBAGLBSA-N 1 0 276.199 2.168 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@H](C)c2ccccc2C)C1 ZINC000148503602 539320033 /nfs/dbraw/zinc/32/00/33/539320033.db2.gz VCMFMMAULWZTKL-CABCVRRESA-N 1 0 262.397 2.366 10 0 CEAERO Cc1cccc(CC[NH2+]C[C@H](O)COCc2ccco2)c1 ZINC000051669996 343552323 /nfs/dbraw/zinc/55/23/23/343552323.db2.gz SFOCWFQDXLBJIC-INIZCTEOSA-N 1 0 289.375 2.298 10 0 CEAERO CCc1nc(C[NH2+][C@@H]2CCCC[C@H]2CO)cs1 ZINC000152332149 529740705 /nfs/dbraw/zinc/74/07/05/529740705.db2.gz RTGCSRMUIPOEEG-CMPLNLGQSA-N 1 0 254.399 2.346 10 0 CEAERO CCN(Cc1ccc(OC)cc1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054308042 343587462 /nfs/dbraw/zinc/58/74/62/343587462.db2.gz RCJVIPKOUWJKHX-OAHLLOKOSA-N 1 0 290.407 2.433 10 0 CEAERO CC(C)(C)c1cc(NC(=O)[C@H]([NH3+])Cc2ccccc2)n[nH]1 ZINC000228345985 539337437 /nfs/dbraw/zinc/33/74/37/539337437.db2.gz JFLXTUHZQDFDMW-GFCCVEGCSA-N 1 0 286.379 2.216 10 0 CEAERO CC[C@H](C[NH3+])[C@H](O)c1cccc(Br)c1 ZINC000083564361 178581154 /nfs/dbraw/zinc/58/11/54/178581154.db2.gz XSTPSYUXUNHLSA-KCJUWKMLSA-N 1 0 258.159 2.467 10 0 CEAERO C[C@H](C[NH3+])[C@@H](O)c1cc(F)cc(Br)c1 ZINC000083563732 178581584 /nfs/dbraw/zinc/58/15/84/178581584.db2.gz GQBWSZXCBUMJCQ-LHLIQPBNSA-N 1 0 262.122 2.216 10 0 CEAERO C[C@H]1C[C@@H](C[NH3+])CN1c1ncccc1Br ZINC000127038042 187278769 /nfs/dbraw/zinc/27/87/69/187278769.db2.gz SXJFUNRJEBGBJQ-IUCAKERBSA-N 1 0 270.174 2.018 10 0 CEAERO [NH3+]C[C@@H]1CCCN1Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000128153278 187354796 /nfs/dbraw/zinc/35/47/96/187354796.db2.gz RPLHJKLWGHUALY-LBPRGKRZSA-N 1 0 292.770 2.313 10 0 CEAERO CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[C@H]2O)o1 ZINC000089161394 344116758 /nfs/dbraw/zinc/11/67/58/344116758.db2.gz CMTOSFHDSRMWGT-TZMCWYRMSA-N 1 0 294.395 2.012 10 0 CEAERO [NH3+][C@H]1CC[C@@H](C(=O)NCCc2ccc(OC(F)F)cc2)C1 ZINC000091539620 344167161 /nfs/dbraw/zinc/16/71/61/344167161.db2.gz RXXMDFJVNYBWSY-NEPJUHHUSA-N 1 0 298.333 2.074 10 0 CEAERO c1ccc(C2CC[NH+](CCCc3nn[nH]n3)CC2)cc1 ZINC000095107834 344235979 /nfs/dbraw/zinc/23/59/79/344235979.db2.gz UNLKCUNJYHMSFS-UHFFFAOYSA-N 1 0 271.368 2.012 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H](C)c2ccccc2F)C1 ZINC000113267359 344276483 /nfs/dbraw/zinc/27/64/83/344276483.db2.gz HFTSMURWBDKUQX-QWHCGFSZSA-N 1 0 266.360 2.197 10 0 CEAERO NC1=[NH+][C@@](CF)(c2cccc(Br)c2)COC1 ZINC000113658908 344277416 /nfs/dbraw/zinc/27/74/16/344277416.db2.gz PRXMMRUZALZYGU-LLVKDONJSA-N 1 0 287.132 2.001 10 0 CEAERO CC(C)(C[NH3+])CNc1ccc(Br)cn1 ZINC000126809225 344326532 /nfs/dbraw/zinc/32/65/32/344326532.db2.gz MPVJOIVVPWKGTK-UHFFFAOYSA-N 1 0 258.163 2.241 10 0 CEAERO CCCc1ccccc1NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129623151 344345655 /nfs/dbraw/zinc/34/56/55/344345655.db2.gz LYPRAHNWFXQFCD-UHFFFAOYSA-N 1 0 289.423 2.261 10 0 CEAERO [NH3+][C@H]1C[C@@H]1c1ncc(Br)cc1Br ZINC000130024024 344348677 /nfs/dbraw/zinc/34/86/77/344348677.db2.gz DWIOQFVGWWIZFS-FSPLSTOPSA-N 1 0 291.974 2.421 10 0 CEAERO C[C@H](c1ccc(Br)o1)N(C)C1C[NH2+]C1 ZINC000131819189 344360314 /nfs/dbraw/zinc/36/03/14/344360314.db2.gz UHRDGDQMTTVOTR-SSDOTTSWSA-N 1 0 259.147 2.007 10 0 CEAERO CC(C)[C@H](C)NC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000155113117 344437393 /nfs/dbraw/zinc/43/73/93/344437393.db2.gz OLXLGTOWIBQNLJ-STQMWFEESA-N 1 0 255.406 2.013 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]C/C=C/c2ccccc2)C1 ZINC000134436165 344374315 /nfs/dbraw/zinc/37/43/15/344374315.db2.gz MEQORXWGYGFKKN-FSNWXROXSA-N 1 0 260.381 2.010 10 0 CEAERO CN[C@H](C[NH3+])c1ccc(Cl)c(Br)c1 ZINC000137161664 344386854 /nfs/dbraw/zinc/38/68/54/344386854.db2.gz IMXNGKKYMRCQGU-SECBINFHSA-N 1 0 263.566 2.322 10 0 CEAERO [NH2+]=C1NC[C@@H](c2ccc(Cl)c(Br)c2)N1 ZINC000137303200 344387491 /nfs/dbraw/zinc/38/74/91/344387491.db2.gz MFOIJNONYWBDJL-QMMMGPOBSA-N 1 0 274.549 2.062 10 0 CEAERO COc1ccc(C(NCC[NH3+])c2ccc(OC)cc2)cc1 ZINC000141887637 344402002 /nfs/dbraw/zinc/40/20/02/344402002.db2.gz WQZGAAKHDZXBHS-UHFFFAOYSA-N 1 0 286.375 2.342 10 0 CEAERO C[NH2+]CCOc1ccc(C(=O)c2ccc(O)cc2)cc1 ZINC000146351789 344410135 /nfs/dbraw/zinc/41/01/35/344410135.db2.gz PLIYGCKUMSKVCU-UHFFFAOYSA-N 1 0 271.316 2.221 10 0 CEAERO C[C@@H](CNc1nnc(Br)s1)[NH+]1CCCC1 ZINC000161427197 344464025 /nfs/dbraw/zinc/46/40/25/344464025.db2.gz DVHNHCCUFPGFSF-ZETCQYMHSA-N 1 0 291.218 2.197 10 0 CEAERO CC(C)CCn1cccc1C[NH2+]C[C@H](C)N1CCOCC1 ZINC000161583725 344464692 /nfs/dbraw/zinc/46/46/92/344464692.db2.gz YYOMKUCQBKVADZ-INIZCTEOSA-N 1 0 293.455 2.345 10 0 CEAERO COc1ccc(C[C@@H](C[NH3+])C(=O)OC(C)(C)C)cc1 ZINC000166277749 344475981 /nfs/dbraw/zinc/47/59/81/344475981.db2.gz ZXJLDRBIMBPVES-LBPRGKRZSA-N 1 0 265.353 2.154 10 0 CEAERO O[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(Br)cs1 ZINC000168241156 344479698 /nfs/dbraw/zinc/47/96/98/344479698.db2.gz BQHNASNPSKPEOY-OIBJUYFYSA-N 1 0 276.199 2.024 10 0 CEAERO C[C@H]1C[C@H]([NH3+])CCN1c1nc(Br)cs1 ZINC000169027514 344481093 /nfs/dbraw/zinc/48/10/93/344481093.db2.gz IIQSENAUICWUGI-NKWVEPMBSA-N 1 0 276.203 2.222 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)NCCCC2CCCC2)C1 ZINC000170830229 344490995 /nfs/dbraw/zinc/49/09/95/344490995.db2.gz QAPNNAGYUFBYOS-CQSZACIVSA-N 1 0 267.417 2.302 10 0 CEAERO Brc1ccc2ncn([C@@H]3CC[NH2+]C3)c2c1 ZINC000218250157 344536245 /nfs/dbraw/zinc/53/62/45/344536245.db2.gz YRZHDDBRIDEXDC-SECBINFHSA-N 1 0 266.142 2.333 10 0 CEAERO Clc1ccc(N2CCCC2)c(CN2CC[NH2+]CC2)c1 ZINC000221836851 344540162 /nfs/dbraw/zinc/54/01/62/344540162.db2.gz JUOLSIJOXPMMKL-UHFFFAOYSA-N 1 0 279.815 2.345 10 0 CEAERO CCS[C@@H]1CCC[C@H]1NC(=O)C[C@@H]([NH3+])C(C)C ZINC000225813110 344548120 /nfs/dbraw/zinc/54/81/20/344548120.db2.gz JWXCGZOWNQZPDG-IJLUTSLNSA-N 1 0 258.431 2.150 10 0 CEAERO C[C@@H]([NH3+])C[C@@H](C)Nc1nc(C(F)(F)F)ns1 ZINC000228812019 344563834 /nfs/dbraw/zinc/56/38/34/344563834.db2.gz VLLJXWWILTYIJO-RFZPGFLSSA-N 1 0 254.281 2.095 10 0 CEAERO CSC1(C[NH2+]C[C@H](O)COCc2ccco2)CCC1 ZINC000235249482 344590355 /nfs/dbraw/zinc/59/03/55/344590355.db2.gz ZBIBYTIQEQABBG-LBPRGKRZSA-N 1 0 285.409 2.032 10 0 CEAERO C[C@H]([NH3+])C(=O)Nc1cccc(Cl)c1Br ZINC000235460187 344591611 /nfs/dbraw/zinc/59/16/11/344591611.db2.gz MEGZOXLXVGVZDO-YFKPBYRVSA-N 1 0 277.549 2.388 10 0 CEAERO Cc1[nH]c2ccc(C(=O)N3C[C@H](C)[C@H]([NH3+])C3)cc2c1C ZINC000235691438 344592119 /nfs/dbraw/zinc/59/21/19/344592119.db2.gz AYPQOAWZRKVAII-LKFCYVNXSA-N 1 0 271.364 2.204 10 0 CEAERO [NH3+][C@H](CC1OCCO1)c1cscc1Br ZINC000236317422 344595347 /nfs/dbraw/zinc/59/53/47/344595347.db2.gz PUZSZDJGLYXJMW-MRVPVSSYSA-N 1 0 278.171 2.273 10 0 CEAERO COc1ccc(OCC[N@@H+]2CCC[C@@H]2CCCO)cc1 ZINC000052763059 362473717 /nfs/dbraw/zinc/47/37/17/362473717.db2.gz YPBXLNOCOIKHOG-CQSZACIVSA-N 1 0 279.380 2.311 10 0 CEAERO CC(C)(C[C@@H]([NH3+])c1ccc(Br)s1)C(N)=O ZINC000083686127 178686299 /nfs/dbraw/zinc/68/62/99/178686299.db2.gz JFFUYYLNNMBRTR-ZCFIWIBFSA-N 1 0 291.214 2.412 10 0 CEAERO CCc1cc2c(ncnc2NC[C@@H]2CCC[NH2+]2)s1 ZINC000053255387 362489124 /nfs/dbraw/zinc/48/91/24/362489124.db2.gz SXZYETGCOBGUJW-VIFPVBQESA-N 1 0 262.382 2.418 10 0 CEAERO [NH3+]Cc1cccc(Cl)c1I ZINC000238684356 344607599 /nfs/dbraw/zinc/60/75/99/344607599.db2.gz QZICLGDYLBMCQM-UHFFFAOYSA-N 1 0 267.497 2.403 10 0 CEAERO CNc1ccccc1C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000251624481 344636906 /nfs/dbraw/zinc/63/69/06/344636906.db2.gz FBZNIZLZVAVEMG-OLZOCXBDSA-N 1 0 273.380 2.037 10 0 CEAERO C[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000306993080 344719405 /nfs/dbraw/zinc/71/94/05/344719405.db2.gz YCVFITACUMUYOW-JTQLQIEISA-N 1 0 273.117 2.498 10 0 CEAERO CC(C)C[C@H]1CCN(C(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000307785029 344724588 /nfs/dbraw/zinc/72/45/88/344724588.db2.gz ASEVFJSSNXMGKF-UONOGXRCSA-N 1 0 252.402 2.271 10 0 CEAERO C[C@@H]1CCS[C@@]2(CCN(C(=O)OC(C)(C)C)C2)[NH2+]1 ZINC000306580346 344714586 /nfs/dbraw/zinc/71/45/86/344714586.db2.gz NSMYOQFLBWFDLR-ZWNOBZJWSA-N 1 0 272.414 2.439 10 0 CEAERO C[C@H]1[C@H](Nc2nccnc2N)CC[N@@H+]1Cc1ccccc1 ZINC000306729222 344716996 /nfs/dbraw/zinc/71/69/96/344716996.db2.gz OHDMMADNXJBAQU-GXTWGEPZSA-N 1 0 283.379 2.134 10 0 CEAERO CC1(C)C[C@H]([NH3+])CCN(C(=O)NCc2ccccc2)C1 ZINC000306889695 344718224 /nfs/dbraw/zinc/71/82/24/344718224.db2.gz XQQUVMRQXHXCBM-CQSZACIVSA-N 1 0 275.396 2.346 10 0 CEAERO C[C@@H]([NH3+])CC(=O)Nc1c(F)cc(Br)cc1F ZINC000083848037 178753524 /nfs/dbraw/zinc/75/35/24/178753524.db2.gz RPJQCWCWGOXBFM-RXMQYKEDSA-N 1 0 293.111 2.403 10 0 CEAERO CC[NH2+]CCc1ccc(I)cc1 ZINC000083850845 178754180 /nfs/dbraw/zinc/75/41/80/178754180.db2.gz KISURAHWIAJRAP-UHFFFAOYSA-N 1 0 275.133 2.443 10 0 CEAERO CC[C@H](C)S[C@H]1CC2(CC[C@@H]1[NH2+]C)OCCO2 ZINC000083953026 178766907 /nfs/dbraw/zinc/76/69/07/178766907.db2.gz OWPFIHJIMZHVPU-SRVKXCTJSA-N 1 0 259.415 2.402 10 0 CEAERO Cc1cnc(CC[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)c(C)c1 ZINC000401032651 344865485 /nfs/dbraw/zinc/86/54/85/344865485.db2.gz NENXIHAACAELQV-ARFHVFGLSA-N 1 0 274.408 2.334 10 0 CEAERO CC[NH2+][C@@H](C[S@](=O)c1ccc(F)c(F)c1)C1CC1 ZINC000084032553 178773182 /nfs/dbraw/zinc/77/31/82/178773182.db2.gz DJXJTMKVSHTEAA-SCLBCKFNSA-N 1 0 273.348 2.461 10 0 CEAERO CC(C)[NH2+]CCC[S@](=O)c1ccc(F)c(F)c1 ZINC000084032634 178773222 /nfs/dbraw/zinc/77/32/22/178773222.db2.gz KAIAZOPRLOBCRL-QGZVFWFLSA-N 1 0 261.337 2.461 10 0 CEAERO CC[NH2+]CCC[S@@](=O)c1ccc2c(c1)CCC2 ZINC000084031084 178773319 /nfs/dbraw/zinc/77/33/19/178773319.db2.gz SJRAMNUMBXZGGX-KRWDZBQOSA-N 1 0 251.395 2.283 10 0 CEAERO CCC[S@@](=O)C[C@@H]([NH2+]C)c1ccc2c(c1)OCCCO2 ZINC000084009771 178771554 /nfs/dbraw/zinc/77/15/54/178771554.db2.gz QKOXKCYTOOJMFA-XCLFUZPHSA-N 1 0 297.420 2.267 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(OC)c(C[S@](=O)CCOC)c1 ZINC000084035831 178775587 /nfs/dbraw/zinc/77/55/87/178775587.db2.gz SJWVKLMQOVCQAV-YUNKPMOVSA-N 1 0 299.436 2.261 10 0 CEAERO O=[S@](CCC[NH2+]C1CC1)c1cc(F)ccc1F ZINC000084037561 178776899 /nfs/dbraw/zinc/77/68/99/178776899.db2.gz PYCFMXWIHLKNMT-KRWDZBQOSA-N 1 0 259.321 2.215 10 0 CEAERO CC(C)(C)[S@](=O)N[C@@H]1C(F)(F)CCC12CC[NH2+]CC2 ZINC000584627505 344968959 /nfs/dbraw/zinc/96/89/59/344968959.db2.gz TXGRWMPPONDDSW-OVWNDWIMSA-N 1 0 294.411 2.206 10 0 CEAERO CCN1CC[C@@H]2C[N@H+](Cc3ccccc3)CCN2C1=S ZINC000584640037 344971503 /nfs/dbraw/zinc/97/15/03/344971503.db2.gz GJWQKROOKLMKIR-OAHLLOKOSA-N 1 0 289.448 2.183 10 0 CEAERO O[C@]1(C2CC[NH2+]CC2)c2ccccc2Oc2ncccc21 ZINC000584638407 344972096 /nfs/dbraw/zinc/97/20/96/344972096.db2.gz SFGPWPWQSHVMTQ-QGZVFWFLSA-N 1 0 282.343 2.423 10 0 CEAERO [NH3+]CCC1CCN(c2ncccc2Br)CC1 ZINC000053705856 362497553 /nfs/dbraw/zinc/49/75/53/362497553.db2.gz VJRHGPVIJZXDBU-UHFFFAOYSA-N 1 0 284.201 2.409 10 0 CEAERO Cc1cc(F)ccc1C(=O)Nc1nc2c(s1)C[NH2+]CC2 ZINC000127358663 187299457 /nfs/dbraw/zinc/29/94/57/187299457.db2.gz WMRYQNXQAOMXEK-UHFFFAOYSA-N 1 0 291.351 2.489 10 0 CEAERO [NH3+]C1(CC(=O)N2CCC[C@H]2c2ccncc2)CCCC1 ZINC000084164635 178811210 /nfs/dbraw/zinc/81/12/10/178811210.db2.gz JEUIQPQHVQKLBU-AWEZNQCLSA-N 1 0 273.380 2.407 10 0 CEAERO C[NH2+][C@H](C)C(=O)NC1CCC(c2ccccc2)CC1 ZINC000054072941 362508997 /nfs/dbraw/zinc/50/89/97/362508997.db2.gz FNCUOWVWXDDMRP-LRVUVFPRSA-N 1 0 260.381 2.437 10 0 CEAERO COc1cccc([C@@H](C)NC(=O)C[C@H]2CCC[NH2+]C2)c1 ZINC000054307556 362526471 /nfs/dbraw/zinc/52/64/71/362526471.db2.gz JQJIAGQMXIXCKQ-CHWSQXEVSA-N 1 0 276.380 2.262 10 0 CEAERO CC[C@@H]1CC[C@H](C[NH3+])[C@H](S(=O)(=O)C2CCCC2)C1 ZINC000084272522 178838777 /nfs/dbraw/zinc/83/87/77/178838777.db2.gz KXNJNGQWAIKVAL-YRGRVCCFSA-N 1 0 273.442 2.497 10 0 CEAERO CCn1nc(C)c(Br)c1C[C@H](C)C[NH2+]C ZINC000084280015 178842663 /nfs/dbraw/zinc/84/26/63/178842663.db2.gz OUNBUTIOFGBTGS-QMMMGPOBSA-N 1 0 274.206 2.372 10 0 CEAERO Cc1nn(C)c(C[C@@H]2CC[C@H]([NH3+])C2)c1Br ZINC000084276680 178840602 /nfs/dbraw/zinc/84/06/02/178840602.db2.gz WZBMRUZMHICTAB-BDAKNGLRSA-N 1 0 272.190 2.161 10 0 CEAERO CCn1nc(C[N@@H+]2CCC[C@H](O)[C@H]2C)c2ccccc21 ZINC000295105511 199346737 /nfs/dbraw/zinc/34/67/37/199346737.db2.gz VMNGJLLOJBFJDT-WBMJQRKESA-N 1 0 273.380 2.401 10 0 CEAERO CCOC(=O)[C@](C)(C[C@H](C)[N@H+](C)C1CCCC1)NC ZINC000084306831 178852465 /nfs/dbraw/zinc/85/24/65/178852465.db2.gz HUGMGDNBTKYWRI-WFASDCNBSA-N 1 0 270.417 2.181 10 0 CEAERO CCc1nn(CC)c(C[C@H](C)[NH2+]C)c1Br ZINC000084298960 178849622 /nfs/dbraw/zinc/84/96/22/178849622.db2.gz RXOGYTGVMOWJAU-QMMMGPOBSA-N 1 0 274.206 2.378 10 0 CEAERO CCOC(=O)[C@](C)(C[C@H](C)[NH+](CC)CC)NC1CC1 ZINC000084299926 178850073 /nfs/dbraw/zinc/85/00/73/178850073.db2.gz OGTIIBDMUZPCRE-WFASDCNBSA-N 1 0 270.417 2.181 10 0 CEAERO C[NH2+][C@](C)(C[C@@H](C)SC1CCCCC1)C(N)=O ZINC000084351086 178862764 /nfs/dbraw/zinc/86/27/64/178862764.db2.gz HXMSIDNIIPXIEM-ZWNOBZJWSA-N 1 0 258.431 2.294 10 0 CEAERO CC[NH2+][C@H](C)C[C@H](C)S(=O)(=O)c1ccccc1 ZINC000084356171 178867819 /nfs/dbraw/zinc/86/78/19/178867819.db2.gz BUABLHAJRIWCHB-NEPJUHHUSA-N 1 0 255.383 2.237 10 0 CEAERO CC[NH2+][C@@H](C)C[C@H](C)S(=O)(=O)CC1CCCC1 ZINC000084357924 178868667 /nfs/dbraw/zinc/86/86/67/178868667.db2.gz VOKIQYBWCFAPJO-RYUDHWBXSA-N 1 0 261.431 2.368 10 0 CEAERO CCC[NH2+][C@](C)(C[C@@H](C)OCCCC(C)C)C(N)=O ZINC000084366874 178874564 /nfs/dbraw/zinc/87/45/64/178874564.db2.gz ZURUNIRCKVEQSB-UKRRQHHQSA-N 1 0 272.433 2.461 10 0 CEAERO c1c[nH]c(C[NH2+]CCc2nc(-c3ccccn3)cs2)n1 ZINC000123930955 232206886 /nfs/dbraw/zinc/20/68/86/232206886.db2.gz AUOWYCCRJTXFTO-UHFFFAOYSA-N 1 0 285.376 2.261 10 0 CEAERO CCO[C@H]1C[C@H]([NH2+]Cc2c(C)nn(C)c2C)C1(C)C ZINC000084440195 178890018 /nfs/dbraw/zinc/89/00/18/178890018.db2.gz SDMDAAISEQBSQF-KBPBESRZSA-N 1 0 265.401 2.330 10 0 CEAERO [NH3+]Cc1ccc2c(c1)OCC(=O)N2Cc1ccccc1 ZINC000074335560 136483824 /nfs/dbraw/zinc/48/38/24/136483824.db2.gz FALGQTMCYDVVJU-UHFFFAOYSA-N 1 0 268.316 2.071 10 0 CEAERO CN(CCO)CC[N@H+](C)Cc1cccc2ccccc21 ZINC000623091620 349936295 /nfs/dbraw/zinc/93/62/95/349936295.db2.gz KLCOXBOSLSHTDI-UHFFFAOYSA-N 1 0 272.392 2.196 10 0 CEAERO [NH3+]CCc1cnc(CSc2ccccc2F)nc1 ZINC000097267046 185574788 /nfs/dbraw/zinc/57/47/88/185574788.db2.gz FTPASHBNZZCUQG-UHFFFAOYSA-N 1 0 263.341 2.409 10 0 CEAERO C[NH2+][C@H](c1ccnn1C)[C@@H]1CCCc2cccnc21 ZINC000097303261 185581166 /nfs/dbraw/zinc/58/11/66/185581166.db2.gz HSLXKZDRTTYSQW-DOMZBBRYSA-N 1 0 256.353 2.196 10 0 CEAERO CCc1nn(CC)c(C[C@@H]([NH2+]C)c2ccnnc2)c1Cl ZINC000097279647 185577554 /nfs/dbraw/zinc/57/75/54/185577554.db2.gz ATZJICZWGVCVMF-GFCCVEGCSA-N 1 0 293.802 2.412 10 0 CEAERO C[NH2+][C@H](COC(C)C)Cc1nn(C)c2ccccc12 ZINC000097279227 185578033 /nfs/dbraw/zinc/57/80/33/185578033.db2.gz GRKAKOJRGJPDNV-LBPRGKRZSA-N 1 0 261.369 2.129 10 0 CEAERO CC[NH2+][C@@H](Cc1nccn1C)CC1CCSCC1 ZINC000097310163 185583825 /nfs/dbraw/zinc/58/38/25/185583825.db2.gz QUYQIVFXITYKBN-CYBMUJFWSA-N 1 0 267.442 2.474 10 0 CEAERO CCCn1ncnc1C[C@@H]([NH3+])CSc1ccc(F)cc1 ZINC000097330076 185585638 /nfs/dbraw/zinc/58/56/38/185585638.db2.gz ANQCSUCZBMLJGJ-GFCCVEGCSA-N 1 0 294.399 2.489 10 0 CEAERO CCC[NH2+][C@H](CC[C@H](C)OC)c1ncc(OC)nc1OC ZINC000097387046 185596697 /nfs/dbraw/zinc/59/66/97/185596697.db2.gz GKZSJUXLSZTPTA-NWDGAFQWSA-N 1 0 297.399 2.350 10 0 CEAERO CCN(Cc1cccs1)C(=O)c1c[nH+]ccc1N ZINC000127502142 187311064 /nfs/dbraw/zinc/31/10/64/187311064.db2.gz INWUYFTXXXKUEQ-UHFFFAOYSA-N 1 0 261.350 2.388 10 0 CEAERO C[NH+](C)C[C@H](NC(=O)CC1(O)CCCC1)c1ccccc1 ZINC000173723553 232281835 /nfs/dbraw/zinc/28/18/35/232281835.db2.gz VPXKZFUNZSRZCL-HNNXBMFYSA-N 1 0 290.407 2.101 10 0 CEAERO CC[C@@H]([NH3+])[C@@](C)(CC(=O)OC)c1ccc(OC)c(OC)c1 ZINC000097432323 185602648 /nfs/dbraw/zinc/60/26/48/185602648.db2.gz OUKUSUZOITXRBT-ZBFHGGJFSA-N 1 0 295.379 2.262 10 0 CEAERO CC[C@@H]([NH3+])[C@@](C)(CCO)c1ccc2c(c1)OCCCO2 ZINC000097435353 185602825 /nfs/dbraw/zinc/60/28/25/185602825.db2.gz LVACIMVJGVNUAB-CVEARBPZSA-N 1 0 279.380 2.225 10 0 CEAERO CCOc1ccccc1[C@](C)(CCO)[C@H]([NH3+])CC ZINC000097435365 185603530 /nfs/dbraw/zinc/60/35/30/185603530.db2.gz WOOSWVSHWWQXPZ-CABCVRRESA-N 1 0 251.370 2.463 10 0 CEAERO CC[C@H]1CCC[C@@H](NC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000085069280 178947032 /nfs/dbraw/zinc/94/70/32/178947032.db2.gz OGFPQMBHZFFEEU-MELADBBJSA-N 1 0 252.402 2.461 10 0 CEAERO C[NH2+][C@H](CSc1ccccc1C)Cc1ncnn1C ZINC000097429113 185601143 /nfs/dbraw/zinc/60/11/43/185601143.db2.gz XBDNOCXNIHWYIP-LBPRGKRZSA-N 1 0 276.409 2.046 10 0 CEAERO CCC[NH2+][C@H](c1cnn(C)c1C)[C@H](C)CCOC ZINC000097424738 185601915 /nfs/dbraw/zinc/60/19/15/185601915.db2.gz PJDJLVACBCMXRM-RISCZKNCSA-N 1 0 253.390 2.442 10 0 CEAERO COC(=O)CC[NH2+][C@@H]1CCCC[C@H]1C(F)(F)F ZINC000085133076 178954808 /nfs/dbraw/zinc/95/48/08/178954808.db2.gz RERKPACNSSFCEF-RKDXNWHRSA-N 1 0 253.264 2.260 10 0 CEAERO C[C@@H](CO)CSc1ccc(C(N)=[NH2+])cc1Cl ZINC000085139210 178955315 /nfs/dbraw/zinc/95/53/15/178955315.db2.gz TUQJEEKOZVNWDD-ZETCQYMHSA-N 1 0 258.774 2.345 10 0 CEAERO C[NH2+][C@@H](c1c(Cl)cnn1CCOC)[C@@H]1CCSC1 ZINC000097461914 185610724 /nfs/dbraw/zinc/61/07/24/185610724.db2.gz VGEZTFPRMXLAPC-MWLCHTKSSA-N 1 0 289.832 2.197 10 0 CEAERO CC[NH2+]C[C@H]1CCCCN1Cc1ccn(C(C)C)n1 ZINC000085166777 178961210 /nfs/dbraw/zinc/96/12/10/178961210.db2.gz WZBBMYOLJRIRNC-OAHLLOKOSA-N 1 0 264.417 2.428 10 0 CEAERO CC[C@@H](C)n1ccc(C[C@@H]([NH3+])Cc2ccncc2)n1 ZINC000085183122 178966372 /nfs/dbraw/zinc/96/63/72/178966372.db2.gz MFAAHWQGDLYTPO-OCCSQVGLSA-N 1 0 258.369 2.362 10 0 CEAERO CC[NH2+][C@@](C)(CO)CN(CC)c1ccccc1F ZINC000085213958 178977883 /nfs/dbraw/zinc/97/78/83/178977883.db2.gz SCGJSSRKFUSVEA-CQSZACIVSA-N 1 0 254.349 2.013 10 0 CEAERO CCOC(=O)c1ccc(N[C@H](C)CCCC[NH3+])nc1 ZINC000311648097 201894914 /nfs/dbraw/zinc/89/49/14/201894914.db2.gz CMMZYERGJFXDDA-LLVKDONJSA-N 1 0 265.357 2.188 10 0 CEAERO CCC[NH2+][C@@H](CO)CCN(CC)c1cccc(F)c1 ZINC000085241999 178983226 /nfs/dbraw/zinc/98/32/26/178983226.db2.gz WGEQAPLRTHNREZ-CQSZACIVSA-N 1 0 268.376 2.403 10 0 CEAERO CCC[NH2+][C@H](CO)CCN(C)c1cc(C)cc(C)c1 ZINC000085215289 178979232 /nfs/dbraw/zinc/97/92/32/178979232.db2.gz QEOUYHOZFZIHBP-HNNXBMFYSA-N 1 0 264.413 2.490 10 0 CEAERO Cc1cc(C)cc(N(C)C[C@@H](CO)[NH2+]C(C)C)c1 ZINC000085215341 178979296 /nfs/dbraw/zinc/97/92/96/178979296.db2.gz QQDUCSCFXAPLIG-AWEZNQCLSA-N 1 0 250.386 2.099 10 0 CEAERO CC[C@@](C)([C@@H](NN)c1ccc(OC2CC2)cc1)[NH+](C)C ZINC000097582935 185630631 /nfs/dbraw/zinc/63/06/31/185630631.db2.gz XHCISGNTKRDINS-HOTGVXAUSA-N 1 0 277.412 2.463 10 0 CEAERO CC[C@@](C)([C@@H](Cc1csc(C)n1)NN)[NH+]1CCCC1 ZINC000097584829 185630978 /nfs/dbraw/zinc/63/09/78/185630978.db2.gz YJPSZJOXVOAYSI-KGLIPLIRSA-N 1 0 282.457 2.090 10 0 CEAERO CC[C@@](C)([C@H](Cc1cccc(OC)c1)NN)[NH+]1CCCC1 ZINC000097584907 185631099 /nfs/dbraw/zinc/63/10/99/185631099.db2.gz WUFMLUMMRONVLR-IRXDYDNUSA-N 1 0 291.439 2.334 10 0 CEAERO C[C@@H]([NH2+]CCn1cncn1)C12CC3CC(CC(C3)C1)C2 ZINC000312327473 201908356 /nfs/dbraw/zinc/90/83/56/201908356.db2.gz SXRHULLDCJIAMU-DYCFOQDWSA-N 1 0 274.412 2.473 10 0 CEAERO CCc1nc2ccccc2n1[C@H](C)C[C@](C)([NH3+])CO ZINC000085263022 178993476 /nfs/dbraw/zinc/99/34/76/178993476.db2.gz HIGNKQXTGBDZRM-ABAIWWIYSA-N 1 0 261.369 2.260 10 0 CEAERO CC(C)[NH2+][C@@H](CO)COc1ccccc1C(F)(F)F ZINC000085282984 179000722 /nfs/dbraw/zinc/00/07/22/179000722.db2.gz VAFJNQYHZFJJBJ-JTQLQIEISA-N 1 0 277.286 2.443 10 0 CEAERO CCOc1ccccc1OC[C@](C)(CO)[NH2+]C(C)C ZINC000085283756 179001631 /nfs/dbraw/zinc/00/16/31/179001631.db2.gz YQWNYBFIKCEEOO-HNNXBMFYSA-N 1 0 267.369 2.213 10 0 CEAERO CCC[NH2+][C@](C)(CO)CCOc1cccc(F)c1 ZINC000085285423 179003276 /nfs/dbraw/zinc/00/32/76/179003276.db2.gz VKHLFNHDXKMZFN-AWEZNQCLSA-N 1 0 255.333 2.345 10 0 CEAERO CC[NH2+][C@](C)(CO)C[C@H](C)Oc1ccccc1OC ZINC000085285346 179003292 /nfs/dbraw/zinc/00/32/92/179003292.db2.gz RVIKKEPUGKWJIE-WFASDCNBSA-N 1 0 267.369 2.213 10 0 CEAERO CCCOc1ccc(OCCC[C@@](C)([NH3+])CO)cc1 ZINC000085286149 179004092 /nfs/dbraw/zinc/00/40/92/179004092.db2.gz HKMAURBTCWXZEC-OAHLLOKOSA-N 1 0 267.369 2.344 10 0 CEAERO CC[NH2+][C@@H](CO)CCOc1c(C)ccc(C)c1C ZINC000085286237 179004190 /nfs/dbraw/zinc/00/41/90/179004190.db2.gz CWOXAEDGGGYDDM-CQSZACIVSA-N 1 0 251.370 2.351 10 0 CEAERO CC[NH2+][C@](C)(CO)CCCSc1nccc(C)n1 ZINC000085287869 179004707 /nfs/dbraw/zinc/00/47/07/179004707.db2.gz LBVSIFZEXAAJQR-ZDUSSCGKSA-N 1 0 269.414 2.018 10 0 CEAERO CC[NH2+][C@](C)(CO)CCOc1ccc(F)c(F)c1 ZINC000085286789 179004815 /nfs/dbraw/zinc/00/48/15/179004815.db2.gz HNESYGVDKHCDJF-ZDUSSCGKSA-N 1 0 259.296 2.094 10 0 CEAERO CC[NH2+][C@](C)(CO)CCCCSCCCOC ZINC000085290033 179005912 /nfs/dbraw/zinc/00/59/12/179005912.db2.gz YOFFGWYUECIWPX-ZDUSSCGKSA-N 1 0 263.447 2.287 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)CSc1nc2ccccc2[nH]1 ZINC000085291702 179006969 /nfs/dbraw/zinc/00/69/69/179006969.db2.gz FPPXXCRGMQSXKK-CQSZACIVSA-N 1 0 279.409 2.404 10 0 CEAERO CC[NH2+][C@@H](CO)CSc1ccc(C(F)(F)F)cn1 ZINC000085291763 179007075 /nfs/dbraw/zinc/00/70/75/179007075.db2.gz ARDOQWQEFPPRAG-VIFPVBQESA-N 1 0 280.315 2.163 10 0 CEAERO OC[C@@](CSc1ccccn1)([NH2+]C1CC1)C1CC1 ZINC000085292034 179007599 /nfs/dbraw/zinc/00/75/99/179007599.db2.gz NWQFFGFCHQAGAH-AWEZNQCLSA-N 1 0 264.394 2.067 10 0 CEAERO CC[NH2+][C@@](C)(CO)C[C@H](C)Sc1ccccn1 ZINC000085292091 179007602 /nfs/dbraw/zinc/00/76/02/179007602.db2.gz JNVCPXKTKPOVMP-WCQYABFASA-N 1 0 254.399 2.313 10 0 CEAERO CC[NH2+][C@@](CO)(CSc1nncs1)c1ccccc1 ZINC000085292466 179007895 /nfs/dbraw/zinc/00/78/95/179007895.db2.gz KXOXEGHEUDSICK-ZDUSSCGKSA-N 1 0 295.433 2.128 10 0 CEAERO CC[NH2+][C@](C)(CO)C[C@H](C)Sc1nnc(C)s1 ZINC000085297125 179008246 /nfs/dbraw/zinc/00/82/46/179008246.db2.gz RLIZZPJVFLGVOR-KWQFWETISA-N 1 0 275.443 2.078 10 0 CEAERO CCC[NH2+][C@@](C)(CO)C[C@@H](C)Sc1ncc(C)cn1 ZINC000085297827 179009053 /nfs/dbraw/zinc/00/90/53/179009053.db2.gz DJBMQUWDDGJLDS-TZMCWYRMSA-N 1 0 283.441 2.406 10 0 CEAERO COCCSCCCC[C@](C)(CO)[NH2+]C(C)C ZINC000085298023 179009550 /nfs/dbraw/zinc/00/95/50/179009550.db2.gz CQCOVJDKCNKZAN-CYBMUJFWSA-N 1 0 263.447 2.285 10 0 CEAERO CC[NH2+][C@](CO)(COc1ccc(C)c(C)c1)C1CC1 ZINC000085284640 179002985 /nfs/dbraw/zinc/00/29/85/179002985.db2.gz PKCCOGPWKUGLBP-MRXNPFEDSA-N 1 0 263.381 2.433 10 0 CEAERO C[NH2+][C@@](C)(CO)C[C@@H](C)Oc1cc(C)cc(C)c1 ZINC000085284777 179003011 /nfs/dbraw/zinc/00/30/11/179003011.db2.gz AFQHQOKZAVTXAJ-UKRRQHHQSA-N 1 0 251.370 2.431 10 0 CEAERO C[NH2+][C@](C)(CO)C[C@@H](C)Oc1ccc(C)c(C)c1 ZINC000085284668 179003025 /nfs/dbraw/zinc/00/30/25/179003025.db2.gz ZUPFAKSNHPYBAD-HIFRSBDPSA-N 1 0 251.370 2.431 10 0 CEAERO C[NH2+][C@@](CO)(CSc1ncccc1Cl)C1CC1 ZINC000085299904 179010429 /nfs/dbraw/zinc/01/04/29/179010429.db2.gz NWTSRCXVMNCNBC-LBPRGKRZSA-N 1 0 272.801 2.188 10 0 CEAERO CCCCN(C[C@@](O)(C[NH3+])C1CC1)c1ccccc1 ZINC000085301956 179010878 /nfs/dbraw/zinc/01/08/78/179010878.db2.gz NDWCZAMLKVODRO-INIZCTEOSA-N 1 0 262.397 2.393 10 0 CEAERO CCc1nc2ccccc2n1CCC[C@](C)(O)C[NH3+] ZINC000085304561 179011843 /nfs/dbraw/zinc/01/18/43/179011843.db2.gz JPKFTZDXHNJTOT-HNNXBMFYSA-N 1 0 261.369 2.089 10 0 CEAERO COc1ccc(OCC[C@H](O)C[NH3+])c(C(C)(C)C)c1 ZINC000085306411 179012822 /nfs/dbraw/zinc/01/28/22/179012822.db2.gz RFHPHDXZMSMWEB-NSHDSACASA-N 1 0 267.369 2.081 10 0 CEAERO C[C@](O)(C[NH3+])COc1ccccc1-c1ccccc1 ZINC000085306438 179012846 /nfs/dbraw/zinc/01/28/46/179012846.db2.gz FXYZQVOEOJCKRX-INIZCTEOSA-N 1 0 257.333 2.442 10 0 CEAERO C[C@@](O)(C[NH3+])CCSc1nc2ccccc2o1 ZINC000085308665 179013216 /nfs/dbraw/zinc/01/32/16/179013216.db2.gz XFWSOWQLUGNOOB-LBPRGKRZSA-N 1 0 252.339 2.020 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1c1nc(CCOc2ccccc2)no1 ZINC000085325176 179018076 /nfs/dbraw/zinc/01/80/76/179018076.db2.gz IQSHBKDXMJKHFI-STQMWFEESA-N 1 0 273.336 2.286 10 0 CEAERO COc1cccc(COC(=O)[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000085330975 179020762 /nfs/dbraw/zinc/02/07/62/179020762.db2.gz SMZYFGCXOZQBJZ-KGLIPLIRSA-N 1 0 263.337 2.256 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)OCc1ccccc1F ZINC000085331262 179020958 /nfs/dbraw/zinc/02/09/58/179020958.db2.gz KMYBWRFUTWKKHY-DGCLKSJQSA-N 1 0 251.301 2.386 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)NCc1ccc(Cl)cc1 ZINC000085357628 179030728 /nfs/dbraw/zinc/03/07/28/179030728.db2.gz FSVJKHSPQAILGV-NEPJUHHUSA-N 1 0 252.745 2.084 10 0 CEAERO COc1ccc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])cc1F ZINC000085358291 179031541 /nfs/dbraw/zinc/03/15/41/179031541.db2.gz LGMXSMJBUOXURD-JQWIXIFHSA-N 1 0 266.316 2.290 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCc2ccccc21 ZINC000085359160 179031969 /nfs/dbraw/zinc/03/19/69/179031969.db2.gz JNKGQIDDMUTEFC-SOUVJXGZSA-N 1 0 258.365 2.308 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1cccc(-n2cccn2)c1 ZINC000085359620 179032013 /nfs/dbraw/zinc/03/20/13/179032013.db2.gz IQDODNCRHTTZSJ-CABCVRRESA-N 1 0 284.363 2.328 10 0 CEAERO Cc1noc(-c2ccccc2NC(=O)[C@@H]2CCC[C@H]2[NH3+])n1 ZINC000085360358 179032262 /nfs/dbraw/zinc/03/22/62/179032262.db2.gz WIZSTSUBJKSZRQ-ZYHUDNBSSA-N 1 0 286.335 2.111 10 0 CEAERO CC(=O)Nc1ccc(F)c(NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000085359846 179032336 /nfs/dbraw/zinc/03/23/36/179032336.db2.gz VWXKQZVRFTXPNH-YPMHNXCESA-N 1 0 293.342 2.240 10 0 CEAERO COCc1ccccc1NC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085360342 179032630 /nfs/dbraw/zinc/03/26/30/179032630.db2.gz FADYQYIUTUTWDV-QWHCGFSZSA-N 1 0 262.353 2.289 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1ccc2n[nH]cc2c1 ZINC000085361581 179033737 /nfs/dbraw/zinc/03/37/37/179033737.db2.gz DUUBKGRDSNBRMS-RYUDHWBXSA-N 1 0 258.325 2.019 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000085363095 179034708 /nfs/dbraw/zinc/03/47/08/179034708.db2.gz XTFDDPIOXFFDBQ-CHWSQXEVSA-N 1 0 270.336 2.143 10 0 CEAERO Cc1nc2cc(NC(=O)[C@@H]3CCCC[C@H]3[NH3+])ccc2[nH]1 ZINC000085363953 179035296 /nfs/dbraw/zinc/03/52/96/179035296.db2.gz QINMMGMGRFVWFI-VXGBXAGGSA-N 1 0 272.352 2.327 10 0 CEAERO CC[C@](C)([NH3+])c1ncc(I)s1 ZINC000085351993 179029536 /nfs/dbraw/zinc/02/95/36/179029536.db2.gz GUKWXHDRZWILED-ZETCQYMHSA-N 1 0 282.150 2.332 10 0 CEAERO [NH3+][C@H]1COC[C@H]1c1nc2cc(Br)ccc2s1 ZINC000085352952 179029854 /nfs/dbraw/zinc/02/98/54/179029854.db2.gz CPYJUPLFOALELO-SFYZADRCSA-N 1 0 299.193 2.500 10 0 CEAERO Ic1cnc(C[C@@H]2CCC[NH2+]2)s1 ZINC000085352050 179029903 /nfs/dbraw/zinc/02/99/03/179029903.db2.gz AMYZPRXDHVNPOE-LURJTMIESA-N 1 0 294.161 2.042 10 0 CEAERO COc1ccc(Cl)cc1NC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085356304 179030150 /nfs/dbraw/zinc/03/01/50/179030150.db2.gz ZECONNRCABXQIY-VHSXEESVSA-N 1 0 268.744 2.415 10 0 CEAERO COc1cc(C)ccc1NC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085366200 179037045 /nfs/dbraw/zinc/03/70/45/179037045.db2.gz RKYCGIIMXCHUQQ-NWDGAFQWSA-N 1 0 262.353 2.460 10 0 CEAERO CN(CCCOc1ccccc1)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085368343 179037998 /nfs/dbraw/zinc/03/79/98/179037998.db2.gz MXMOGIGXMYJQPJ-HOTGVXAUSA-N 1 0 290.407 2.431 10 0 CEAERO C[C@H](c1ccncc1)N(C)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085369303 179039338 /nfs/dbraw/zinc/03/93/38/179039338.db2.gz LWNXQOVDEPWAIY-XBFCOCLRSA-N 1 0 261.369 2.119 10 0 CEAERO COc1ccc([C@H](C)NC(=O)[C@H]2CCC[C@@H]2[NH3+])cc1OC ZINC000085370530 179040587 /nfs/dbraw/zinc/04/05/87/179040587.db2.gz UKCJAZLHEPSNJW-DRZSPHRISA-N 1 0 292.379 2.008 10 0 CEAERO Cc1nc(C)c([C@@H](C)NC(=O)[C@H]2CCCC[C@@H]2[NH3+])s1 ZINC000085370580 179040712 /nfs/dbraw/zinc/04/07/12/179040712.db2.gz LOLHRFAASIGZCQ-USWWRNFRSA-N 1 0 281.425 2.455 10 0 CEAERO C[C@H](CCc1ccco1)NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085370891 179041171 /nfs/dbraw/zinc/04/11/71/179041171.db2.gz JMVSYIFWPHJBGG-XBFCOCLRSA-N 1 0 264.369 2.234 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1nc(C2CC2)cs1 ZINC000085372579 179042422 /nfs/dbraw/zinc/04/24/22/179042422.db2.gz PVTONEJVHPUHHP-RKDXNWHRSA-N 1 0 251.355 2.086 10 0 CEAERO CCN(C(=O)[C@@H]1CCC[C@@H]1[NH3+])c1ccc(F)cc1 ZINC000085373632 179042900 /nfs/dbraw/zinc/04/29/00/179042900.db2.gz DAJSYAMPXKDVGC-OLZOCXBDSA-N 1 0 250.317 2.306 10 0 CEAERO C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085374759 179043198 /nfs/dbraw/zinc/04/31/98/179043198.db2.gz RJAKDQJTUHVOCG-CFVMTHIKSA-N 1 0 260.381 2.251 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)Nc1ccc2ncccc2c1 ZINC000085374259 179043663 /nfs/dbraw/zinc/04/36/63/179043663.db2.gz RZIFCCIKVOJAHU-STQMWFEESA-N 1 0 255.321 2.301 10 0 CEAERO CN(C)c1ccc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])cc1Cl ZINC000085366137 179036694 /nfs/dbraw/zinc/03/66/94/179036694.db2.gz FQKUZIQGXVZIBJ-ZYHUDNBSSA-N 1 0 281.787 2.472 10 0 CEAERO C[C@@H](NC(=O)[C@H]1CC[NH2+]C1)c1ccc(Cl)s1 ZINC000062113602 362707635 /nfs/dbraw/zinc/70/76/35/362707635.db2.gz MRRPTMHWWYKBAN-SFYZADRCSA-N 1 0 258.774 2.188 10 0 CEAERO O=C([C@@H]1CC[NH2+]C1)N1CCC(c2ccccc2)CC1 ZINC000062114717 362707789 /nfs/dbraw/zinc/70/77/89/362707789.db2.gz DVJMPCFPTCWBBR-OAHLLOKOSA-N 1 0 258.365 2.002 10 0 CEAERO CC[NH2+]CCc1ccc(COc2cc(C)[nH]n2)cc1 ZINC000097811335 185670845 /nfs/dbraw/zinc/67/08/45/185670845.db2.gz JTFUBUYUJDCPQT-UHFFFAOYSA-N 1 0 259.353 2.449 10 0 CEAERO Cc1ccc(F)cc1CN1C(=O)CC[C@H]2C[NH2+]CC[C@H]21 ZINC000097855255 185673642 /nfs/dbraw/zinc/67/36/42/185673642.db2.gz YETQMINAIHIKDU-SWLSCSKDSA-N 1 0 276.355 2.235 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)CN2CCCC2)C1(C)C ZINC000085397837 179050158 /nfs/dbraw/zinc/05/01/58/179050158.db2.gz OWKCHZROBPVBSW-BFHYXJOUSA-N 1 0 254.418 2.264 10 0 CEAERO CC(C)[N@H+](C)CCCCNc1ccnc(N(C)C)n1 ZINC000085431598 179060150 /nfs/dbraw/zinc/06/01/50/179060150.db2.gz APQQQEIIMKLYNR-UHFFFAOYSA-N 1 0 265.405 2.075 10 0 CEAERO CC[C@@H]1CN(Cc2ccc3ccccc3n2)CC[NH2+]1 ZINC000085434603 179061224 /nfs/dbraw/zinc/06/12/24/179061224.db2.gz GXECEYVTPRNBFY-CQSZACIVSA-N 1 0 255.365 2.419 10 0 CEAERO CCC(CC)n1ccc(CN2CC[NH2+][C@H](C)C2)n1 ZINC000085434549 179061264 /nfs/dbraw/zinc/06/12/64/179061264.db2.gz VUGZMNSROGLJHS-GFCCVEGCSA-N 1 0 250.390 2.038 10 0 CEAERO c1cc(CN2CC[NH2+][C@H](C3CC3)C2)cc2c1CCC2 ZINC000085434849 179061367 /nfs/dbraw/zinc/06/13/67/179061367.db2.gz JZNUYRZNLMEZAW-KRWDZBQOSA-N 1 0 256.393 2.359 10 0 CEAERO CC(C)[C@@H]1CN(Cc2ccccn2)[C@H](C2CC2)C[NH2+]1 ZINC000085467119 179072242 /nfs/dbraw/zinc/07/22/42/179072242.db2.gz ITYPKAOGPRTQJH-HOTGVXAUSA-N 1 0 259.397 2.290 10 0 CEAERO CC(C)[C@@H]1CN(Cc2cccnc2)[C@H](C2CC2)C[NH2+]1 ZINC000085467190 179072445 /nfs/dbraw/zinc/07/24/45/179072445.db2.gz CVBZMLPUOJDCHG-HOTGVXAUSA-N 1 0 259.397 2.290 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C(C)C)CN1Cc1cnn(CC)c1 ZINC000085450571 179065292 /nfs/dbraw/zinc/06/52/92/179065292.db2.gz HYXLDCKFDBXWFJ-LSDHHAIUSA-N 1 0 264.417 2.111 10 0 CEAERO CC[C@@H](C)[C@@H]1C[NH2+]CCN1Cc1ccn(C(C)C)n1 ZINC000085452866 179065988 /nfs/dbraw/zinc/06/59/88/179065988.db2.gz CXRPMBUJAPVVNG-HIFRSBDPSA-N 1 0 264.417 2.284 10 0 CEAERO C[C@]1(c2ccccc2)C[NH2+]CCN1CC(F)(F)F ZINC000085452644 179066249 /nfs/dbraw/zinc/06/62/49/179066249.db2.gz LMIMKYXEXBKNEK-GFCCVEGCSA-N 1 0 258.287 2.369 10 0 CEAERO CCC[C@@H]1C[NH2+][C@H](C)CN1CCOCC(F)(F)F ZINC000085453414 179066841 /nfs/dbraw/zinc/06/68/41/179066841.db2.gz UPMMIVJEDGVXOZ-GHMZBOCLSA-N 1 0 268.323 2.028 10 0 CEAERO CC[C@@]1(C)CN[C@H](C)C[N@@H+]1CCCOCC(F)(F)F ZINC000085454205 179067311 /nfs/dbraw/zinc/06/73/11/179067311.db2.gz MJOJKQXQBPZWNF-NEPJUHHUSA-N 1 0 282.350 2.418 10 0 CEAERO C[C@H]1CN(CCOCC(F)(F)F)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085454627 179067950 /nfs/dbraw/zinc/06/79/50/179067950.db2.gz NXSKGVOXHDVLPN-CMPLNLGQSA-N 1 0 280.334 2.028 10 0 CEAERO CC[C@@H]1C[N@H+](CCCn2ccnc2)[C@@](C)(CC)CN1 ZINC000085474412 179077945 /nfs/dbraw/zinc/07/79/45/179077945.db2.gz QKIQUPVDXAMWPW-CABCVRRESA-N 1 0 264.417 2.126 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1C[C@@H]1CCCO1 ZINC000085475542 179078359 /nfs/dbraw/zinc/07/83/59/179078359.db2.gz IGLQJBXMBAUNAF-HZSPNIEDSA-N 1 0 254.418 2.264 10 0 CEAERO CC[C@H]1CN(CCn2ccnc2C)[C@@](C)(CC)C[NH2+]1 ZINC000085474483 179078594 /nfs/dbraw/zinc/07/85/94/179078594.db2.gz PZAMFHXWJALXEM-GJZGRUSLSA-N 1 0 264.417 2.044 10 0 CEAERO COCCN1C[C@H](C(C)(C)C)[NH2+]C[C@@H]1C(C)(C)C ZINC000085486104 179080206 /nfs/dbraw/zinc/08/02/06/179080206.db2.gz IGGRPEORPOAHCZ-CHWSQXEVSA-N 1 0 256.434 2.367 10 0 CEAERO CC1(C)C[N@H+](C[C@H]2CCCO2)C2(CCCC2)CN1 ZINC000085471446 179075959 /nfs/dbraw/zinc/07/59/59/179075959.db2.gz IZWZJPDEDHFWEA-CYBMUJFWSA-N 1 0 252.402 2.162 10 0 CEAERO CCC[C@@H]1C[NH2+][C@H](C2CC2)CN1Cc1cnn(CC)c1 ZINC000085523613 179088751 /nfs/dbraw/zinc/08/87/51/179088751.db2.gz SYILQEXYQBNATH-CVEARBPZSA-N 1 0 276.428 2.256 10 0 CEAERO CCC[C@H]1CN[C@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085511819 179085455 /nfs/dbraw/zinc/08/54/55/179085455.db2.gz XPYBQEBGZODJSE-BPUTZDHNSA-N 1 0 266.429 2.266 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C2CC2)CN1CCOCC(F)(F)F ZINC000085522316 179088770 /nfs/dbraw/zinc/08/87/70/179088770.db2.gz YLACWNZCOFTMMT-NEPJUHHUSA-N 1 0 280.334 2.028 10 0 CEAERO C[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1cn2ccccc2n1 ZINC000085509633 179085591 /nfs/dbraw/zinc/08/55/91/179085591.db2.gz VWBQNEJCRONINN-CXAGYDPISA-N 1 0 284.407 2.297 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@H](C2CC2)CN1Cc1cccc(OC)n1 ZINC000085523531 179088772 /nfs/dbraw/zinc/08/87/72/179088772.db2.gz BBCZLPPQJGGIEL-HZPDHXFCSA-N 1 0 289.423 2.443 10 0 CEAERO CC[C@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1ccncc1 ZINC000085510931 179085916 /nfs/dbraw/zinc/08/59/16/179085916.db2.gz QSOZRQPVYXRSIC-JKSUJKDBSA-N 1 0 259.397 2.434 10 0 CEAERO CC[C@]1(C)C[NH2+][C@](C)(C2CC2)CN1Cc1cnn(C)c1 ZINC000085515420 179086206 /nfs/dbraw/zinc/08/62/06/179086206.db2.gz LNDQIVGKPNEZOH-CVEARBPZSA-N 1 0 276.428 2.163 10 0 CEAERO CC[C@H](C)[C@@H]1CN[C@@](C)(C2CC2)C[N@@H+]1CCOC ZINC000085512941 179086558 /nfs/dbraw/zinc/08/65/58/179086558.db2.gz LYYYWQIWUDRRSJ-AEGPPILISA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@]1(C)CN[C@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085515106 179086744 /nfs/dbraw/zinc/08/67/44/179086744.db2.gz CCQLONQMAIILKG-XHSDSOJGSA-N 1 0 266.429 2.408 10 0 CEAERO CC(C)[C@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1ncccn1 ZINC000085512207 179086784 /nfs/dbraw/zinc/08/67/84/179086784.db2.gz PIYZDJRYQSGCJH-ZBFHGGJFSA-N 1 0 274.412 2.075 10 0 CEAERO C[C@@H]1C[NH2+][C@H](C2CC2)CN1CCc1cccs1 ZINC000085521316 179088105 /nfs/dbraw/zinc/08/81/05/179088105.db2.gz HJNIFLOILDAJNG-RISCZKNCSA-N 1 0 250.411 2.363 10 0 CEAERO COc1ccccc1CN1C[C@H](C2CC2)[NH2+]C[C@@H]1C ZINC000085521502 179088160 /nfs/dbraw/zinc/08/81/60/179088160.db2.gz PUVNKOWCCQJXST-SWLSCSKDSA-N 1 0 260.381 2.268 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@@H](C2CC2)CN1CCOCC(F)(F)F ZINC000085524143 179088402 /nfs/dbraw/zinc/08/84/02/179088402.db2.gz ZZBZWYHKELGSPM-OLZOCXBDSA-N 1 0 294.361 2.274 10 0 CEAERO CC[C@@]1(C)C[N@H+](CC2CCOCC2)C(C)(C)CN1 ZINC000085496497 179082853 /nfs/dbraw/zinc/08/28/53/179082853.db2.gz RWKOIDRMILPFTC-HNNXBMFYSA-N 1 0 254.418 2.266 10 0 CEAERO CCC[C@H]1C[NH2+][C@H](C2CC2)CN1Cc1cccc(OC)n1 ZINC000085523529 179088788 /nfs/dbraw/zinc/08/87/88/179088788.db2.gz BBCZLPPQJGGIEL-HOTGVXAUSA-N 1 0 289.423 2.443 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@H](C2CC2)CN1Cc1cccnc1 ZINC000085524735 179089764 /nfs/dbraw/zinc/08/97/64/179089764.db2.gz ZVRFOVBUPOMIJC-HOTGVXAUSA-N 1 0 259.397 2.290 10 0 CEAERO CC(C)(C)[C@H]1C[NH2+][C@@H](C2CC2)CN1Cc1ncccn1 ZINC000085526769 179089845 /nfs/dbraw/zinc/08/98/45/179089845.db2.gz VYDYOYVVMAMLBC-ZIAGYGMSSA-N 1 0 274.412 2.075 10 0 CEAERO C[C@H]1C[NH2+][C@@H](C2CCCCC2)CN1Cc1cnn(C)c1 ZINC000085529785 179092058 /nfs/dbraw/zinc/09/20/58/179092058.db2.gz SBXUNYCJYXIWSD-XJKSGUPXSA-N 1 0 276.428 2.163 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCOc1cc(C)ccc1F ZINC000085564924 179094402 /nfs/dbraw/zinc/09/44/02/179094402.db2.gz BLXXFAYZUUEYFP-CQSZACIVSA-N 1 0 255.333 2.264 10 0 CEAERO CCCOc1ccc(-n2cnc3c2CC[NH2+]C3)cc1 ZINC000085567277 179095357 /nfs/dbraw/zinc/09/53/57/179095357.db2.gz WHZHNSQWLHXNKT-UHFFFAOYSA-N 1 0 257.337 2.307 10 0 CEAERO Cc1nc2c(n1-c1cc(F)cc(F)c1F)CC[NH2+]C2 ZINC000085571128 179096901 /nfs/dbraw/zinc/09/69/01/179096901.db2.gz POEAMVOSTWAHOY-UHFFFAOYSA-N 1 0 267.254 2.244 10 0 CEAERO CCCc1nc2c(n1[C@H]1COc3ccccc31)CC[NH2+]C2 ZINC000085572069 179097063 /nfs/dbraw/zinc/09/70/63/179097063.db2.gz XNZXPDKEQCBIHV-HNNXBMFYSA-N 1 0 283.375 2.463 10 0 CEAERO C[C@H]([NH2+][C@@H](CO)c1ccccc1)C(=O)NC1CCCCC1 ZINC000063002829 362742136 /nfs/dbraw/zinc/74/21/36/362742136.db2.gz LIHOLCFZSLEKRD-BBRMVZONSA-N 1 0 290.407 2.147 10 0 CEAERO CC(C)(C)c1nc2c(n1CC[C@H]1CCCO1)CC[NH2+]C2 ZINC000085573393 179098574 /nfs/dbraw/zinc/09/85/74/179098574.db2.gz AYFRBVQODWPVGQ-GFCCVEGCSA-N 1 0 277.412 2.395 10 0 CEAERO CC(C)CCOCCn1c2c(nc1C1CC1)C[NH2+]CC2 ZINC000085573803 179099460 /nfs/dbraw/zinc/09/94/60/179099460.db2.gz WVQJLKLSBNZDRU-UHFFFAOYSA-N 1 0 277.412 2.469 10 0 CEAERO C[C@@H]([NH3+])CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000063171167 362753833 /nfs/dbraw/zinc/75/38/33/362753833.db2.gz WPVAXDPINJXMDE-SSDOTTSWSA-N 1 0 297.207 2.009 10 0 CEAERO CC(C)C[C@@H]1C[N@H+](CC2CCOCC2)CCCN1 ZINC000085611426 179102117 /nfs/dbraw/zinc/10/21/17/179102117.db2.gz RRHCPSDGPORDKO-OAHLLOKOSA-N 1 0 254.418 2.123 10 0 CEAERO c1ccc([C@H]2CN(Cc3ncccn3)CCC[NH2+]2)cc1 ZINC000085610789 179102394 /nfs/dbraw/zinc/10/23/94/179102394.db2.gz RMRCRQIFHUKLLO-OAHLLOKOSA-N 1 0 268.364 2.013 10 0 CEAERO CC[C@]1(C)CN(CCOCC(F)(F)F)CCC[NH2+]1 ZINC000085616826 179103862 /nfs/dbraw/zinc/10/38/62/179103862.db2.gz KURLSTJBGHMQCU-LLVKDONJSA-N 1 0 268.323 2.029 10 0 CEAERO CC(C)C[C@@H](CO)[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085675264 179111689 /nfs/dbraw/zinc/11/16/89/179111689.db2.gz QSZJNQDQTZSTKF-FQUUOJAGSA-N 1 0 255.402 2.187 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CN3CCC2CC3)C12CCCC2 ZINC000085678054 179112733 /nfs/dbraw/zinc/11/27/33/179112733.db2.gz VSKGAKYRGKISFA-OWCLPIDISA-N 1 0 278.440 2.408 10 0 CEAERO CCC[NH2+]CCc1c(OC)cc(OC)cc1OC ZINC000085696745 179115999 /nfs/dbraw/zinc/11/59/99/179115999.db2.gz YWJZMZQNOWJGPP-UHFFFAOYSA-N 1 0 253.342 2.255 10 0 CEAERO COC1(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)CCCC1 ZINC000336796940 365821242 /nfs/dbraw/zinc/82/12/42/365821242.db2.gz XJIZOKSICCNWSR-JHJVBQTASA-N 1 0 253.386 2.349 10 0 CEAERO Cn1nccc1[C@H]([NH3+])c1cc(F)cc(Br)c1 ZINC000085633773 179108854 /nfs/dbraw/zinc/10/88/54/179108854.db2.gz JZNNPHSUSUCRLY-LLVKDONJSA-N 1 0 284.132 2.370 10 0 CEAERO CC1(C)[C@H]([NH2+]C[C@@H]2Cc3ccccc3O2)[C@H]2CCO[C@@H]21 ZINC000085636138 179109096 /nfs/dbraw/zinc/10/90/96/179109096.db2.gz LOTLFUKEGLFEQA-XNISGKROSA-N 1 0 273.376 2.393 10 0 CEAERO CC(C)CCOCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085637363 179109812 /nfs/dbraw/zinc/10/98/12/179109812.db2.gz VBIBFYZZNGKNBE-IHRRRGAJSA-N 1 0 255.402 2.452 10 0 CEAERO CN1CCN(CCC[C@@H]2CCC[NH2+]2)c2ccccc21 ZINC000111460421 136562142 /nfs/dbraw/zinc/56/21/42/136562142.db2.gz XIBVIULXHYHFGV-AWEZNQCLSA-N 1 0 259.397 2.475 10 0 CEAERO C[C@H]([NH3+])Cc1ccc(N2CCOC(C)(C)C2)c(F)c1 ZINC000111494858 136562552 /nfs/dbraw/zinc/56/25/52/136562552.db2.gz JJNIQHBGWVXUCA-NSHDSACASA-N 1 0 266.360 2.331 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cc(Cl)ncc2Cl)C1 ZINC000129312355 365846808 /nfs/dbraw/zinc/84/68/08/365846808.db2.gz JSDJYNVBUAHXRL-MRVPVSSYSA-N 1 0 288.178 2.165 10 0 CEAERO CC(C)C1CCC(C[NH2+]C[C@H]2CN(C)CCO2)CC1 ZINC000336810439 365848061 /nfs/dbraw/zinc/84/80/61/365848061.db2.gz HVBGUOCWJBSLEQ-GPANFISMSA-N 1 0 268.445 2.369 10 0 CEAERO Cc1ccc2c(c1)nc([C@]1([NH3+])CCOC1)n2C1CC1 ZINC000085849491 179187397 /nfs/dbraw/zinc/18/73/97/179187397.db2.gz LXOCWKQGXDIITP-HNNXBMFYSA-N 1 0 257.337 2.254 10 0 CEAERO [NH3+][C@]1(C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)CCOC1 ZINC000085877834 179195305 /nfs/dbraw/zinc/19/53/05/179195305.db2.gz HFHQZJRUGBFHBD-UKRRQHHQSA-N 1 0 294.782 2.121 10 0 CEAERO COC(=O)c1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)cc1 ZINC000085964627 179205265 /nfs/dbraw/zinc/20/52/65/179205265.db2.gz QXCSDMNDMDPQCR-GJZGRUSLSA-N 1 0 277.364 2.114 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1CNC(=O)c1ccc2ccccc2n1 ZINC000085963749 179205292 /nfs/dbraw/zinc/20/52/92/179205292.db2.gz QTBVHOSHKNSZBB-ZIAGYGMSSA-N 1 0 283.375 2.482 10 0 CEAERO CCOc1ccccc1C(=O)NC[C@@H]1CCCC[C@H]1[NH3+] ZINC000085964952 179205495 /nfs/dbraw/zinc/20/54/95/179205495.db2.gz YBGSBQFXLGQIBZ-GXTWGEPZSA-N 1 0 276.380 2.333 10 0 CEAERO COc1ccc(CCC(=O)NC[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000085964548 179205553 /nfs/dbraw/zinc/20/55/53/179205553.db2.gz RMCFQXVWXAJVFA-HOCLYGCPSA-N 1 0 290.407 2.262 10 0 CEAERO C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000085975076 179207860 /nfs/dbraw/zinc/20/78/60/179207860.db2.gz OLGJXITWQUXVSA-HCKVZZMMSA-N 1 0 289.379 2.058 10 0 CEAERO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000085975067 179207958 /nfs/dbraw/zinc/20/79/58/179207958.db2.gz OLGJXITWQUXVSA-WBIUFABUSA-N 1 0 289.379 2.058 10 0 CEAERO C[C@@H]([NH3+])[C@H](CO)Oc1ccc(-c2ccccc2)cc1 ZINC000085919594 179199201 /nfs/dbraw/zinc/19/92/01/179199201.db2.gz ILMRGPFJQDHTJY-WBMJQRKESA-N 1 0 257.333 2.441 10 0 CEAERO CCC(C)(C)c1ccc(O[C@H](CO)[C@@H](C)[NH3+])cc1 ZINC000085919394 179199912 /nfs/dbraw/zinc/19/99/12/179199912.db2.gz XEIKYSDGVNUREE-BXUZGUMPSA-N 1 0 251.370 2.461 10 0 CEAERO CCC[NH2+][C@H](CCO)COc1ccccc1OCC ZINC000085924243 179201000 /nfs/dbraw/zinc/20/10/00/179201000.db2.gz CKJVZDSRITUHFV-CYBMUJFWSA-N 1 0 267.369 2.215 10 0 CEAERO CCC[NH2+][C@@H](CCO)COc1ccc(OCC)cc1 ZINC000085924106 179201487 /nfs/dbraw/zinc/20/14/87/179201487.db2.gz JAXFZSBYFNNNEH-ZDUSSCGKSA-N 1 0 267.369 2.215 10 0 CEAERO C[NH2+][C@@H](CCO)C[S@@](=O)c1ccc(C(C)(C)C)cc1 ZINC000085927498 179201923 /nfs/dbraw/zinc/20/19/23/179201923.db2.gz WQEIBJLMGDZVDY-DJJJIMSYSA-N 1 0 283.437 2.062 10 0 CEAERO CCC[NH2+][C@@H](CCO)C[S@@](=O)c1ccc(Cl)cc1 ZINC000085926160 179202267 /nfs/dbraw/zinc/20/22/67/179202267.db2.gz AXWZZXCEPTUQLL-SGTLLEGYSA-N 1 0 289.828 2.198 10 0 CEAERO CCC[NH2+][C@H](CCO)C[S@@](=O)c1ccc2c(c1)CCC2 ZINC000085927427 179202314 /nfs/dbraw/zinc/20/23/14/179202314.db2.gz VAHZECQAZMGOQY-QRWLVFNGSA-N 1 0 295.448 2.034 10 0 CEAERO CC[NH2+][C@@H](CCO)CSc1nc2ccccc2o1 ZINC000085928935 179202920 /nfs/dbraw/zinc/20/29/20/179202920.db2.gz OYSAEFWRVQEYGX-JTQLQIEISA-N 1 0 266.366 2.280 10 0 CEAERO Cc1[nH+]c2cc(N)ccc2n1C[C@H]1CCCC[C@H]1O ZINC000086017977 179216991 /nfs/dbraw/zinc/21/69/91/179216991.db2.gz UMGSUKWWLODEQB-IAQYHMDHSA-N 1 0 259.353 2.478 10 0 CEAERO O=C(C[NH2+]C[C@@H]1CCCC[C@H]1O)Nc1cccc(Cl)c1 ZINC000085985786 179211375 /nfs/dbraw/zinc/21/13/75/179211375.db2.gz HVMICDOZFNZCSY-SMDDNHRTSA-N 1 0 296.798 2.419 10 0 CEAERO COc1c(C)cnc(C[NH2+]C[C@H]2CCCC[C@H]2O)c1C ZINC000085984807 179211592 /nfs/dbraw/zinc/21/15/92/179211592.db2.gz MGSWCAXSLILWSN-UKRRQHHQSA-N 1 0 278.396 2.348 10 0 CEAERO C[C@@](O)(C[NH2+]C[C@H]1CCCC[C@@H]1O)c1ccccc1 ZINC000085985148 179211782 /nfs/dbraw/zinc/21/17/82/179211782.db2.gz HQGXOQOTEWELMP-VNQPRFMTSA-N 1 0 263.381 2.035 10 0 CEAERO COc1ccc(C)cc1[C@@H](O)C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000085984931 179211839 /nfs/dbraw/zinc/21/18/39/179211839.db2.gz YRZWILPBSXHFRF-BPUTZDHNSA-N 1 0 293.407 2.178 10 0 CEAERO O[C@H]1CCCC[C@@H]1C[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000085986896 179212258 /nfs/dbraw/zinc/21/22/58/179212258.db2.gz WBQGARHKLBDZFR-PVAVHDDUSA-N 1 0 275.392 2.441 10 0 CEAERO Cc1ccc(S(=O)(=O)[C@H]2CC[C@H]([NH3+])[C@@H]2C)c(C)c1 ZINC000086040627 179222393 /nfs/dbraw/zinc/22/23/93/179222393.db2.gz DUACJZRGKGVFHF-OBJOEFQTSA-N 1 0 267.394 2.203 10 0 CEAERO C[NH2+][C@@H]1CC[C@H](S(=O)(=O)c2cc(F)ccc2F)[C@@H]1C ZINC000086041383 179222480 /nfs/dbraw/zinc/22/24/80/179222480.db2.gz WFWJMBLWBHSTQS-FXAINCCUSA-N 1 0 289.347 2.125 10 0 CEAERO Cc1ccccc1C[S@@](=O)[C@H]1CC[C@H]([NH3+])[C@@H]1C ZINC000086042341 179222744 /nfs/dbraw/zinc/22/27/44/179222744.db2.gz LNHZRGYFNHLNLR-MJFSBKNWSA-N 1 0 251.395 2.370 10 0 CEAERO CC(C)Cc1ccc([C@H]([NH3+])[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000086020027 179218107 /nfs/dbraw/zinc/21/81/07/179218107.db2.gz IAQWRDAWBZFLLY-CABCVRRESA-N 1 0 281.421 2.320 10 0 CEAERO CC[NH2+][C@H](c1cc(C)sc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000086021212 179218636 /nfs/dbraw/zinc/21/86/36/179218636.db2.gz QAPJYSRNYVXPEH-YPMHNXCESA-N 1 0 287.450 2.450 10 0 CEAERO CCC[NH2+][C@@H]1CC[C@H](S(=O)(=O)CC(C)C)[C@@H]1C ZINC000086040926 179222167 /nfs/dbraw/zinc/22/21/67/179222167.db2.gz SVBPRDBTKSYJMU-UPJWGTAASA-N 1 0 261.431 2.224 10 0 CEAERO CC[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)[C@@H]1C ZINC000086094719 179229703 /nfs/dbraw/zinc/22/97/03/179229703.db2.gz ZQECPIFGWYDRLV-XTBFLFJDSA-N 1 0 290.407 2.203 10 0 CEAERO CC[C@@H]1CC[C@@H](NS(=O)(=O)CCC[NH2+]C(C)C)[C@@H]1C ZINC000086101456 179230199 /nfs/dbraw/zinc/23/01/99/179230199.db2.gz HUQRBCLFTRTELB-MGPQQGTHSA-N 1 0 290.473 2.119 10 0 CEAERO Cn1cc([C@@H]2CC[N@H+](Cc3cccc(O)c3)C2)cn1 ZINC000128510859 187375031 /nfs/dbraw/zinc/37/50/31/187375031.db2.gz LJVXXTMHZAXMJJ-CYBMUJFWSA-N 1 0 257.337 2.115 10 0 CEAERO C[C@]1(c2ccccc2)C[N@H+](CCc2ccccn2)CCN1 ZINC000086130601 179236345 /nfs/dbraw/zinc/23/63/45/179236345.db2.gz FRFKJPVOYZLTTA-GOSISDBHSA-N 1 0 281.403 2.445 10 0 CEAERO CCC[C@H](C)NC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000605011183 347438741 /nfs/dbraw/zinc/43/87/41/347438741.db2.gz YYRXVIDQWXKWGN-IHRRRGAJSA-N 1 0 267.417 2.443 10 0 CEAERO c1ccc(C[C@@H]2C[N@H+](CC[C@@H]3CCCO3)CCN2)cc1 ZINC000086145615 179237683 /nfs/dbraw/zinc/23/76/83/179237683.db2.gz WWDDXDCKPNSZKB-SJORKVTESA-N 1 0 274.408 2.072 10 0 CEAERO CSCCCN1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC000086149803 179240210 /nfs/dbraw/zinc/24/02/10/179240210.db2.gz HQZNDONUSGQANN-OAHLLOKOSA-N 1 0 264.438 2.256 10 0 CEAERO CC(C)[C@H]1CN(CCOC2CCCCC2)CC[NH2+]1 ZINC000086149537 179240911 /nfs/dbraw/zinc/24/09/11/179240911.db2.gz KZNZWDFBCPDLNG-OAHLLOKOSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@H](C)[C@@H]1CN(Cc2cnc(C)cn2)[C@@H](CC)C[NH2+]1 ZINC000086174975 179245257 /nfs/dbraw/zinc/24/52/57/179245257.db2.gz GQJQNHVGKMBJQZ-RCBQFDQVSA-N 1 0 276.428 2.384 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C)CN1CCOC1CCCCC1 ZINC000086175853 179245379 /nfs/dbraw/zinc/24/53/79/179245379.db2.gz YUWNECBETUXRKW-KBPBESRZSA-N 1 0 254.418 2.408 10 0 CEAERO CO[C@@H]1CCC[C@@H]1[N@@H+]1CCNC2(CCCCC2)C1 ZINC000086146811 179239498 /nfs/dbraw/zinc/23/94/98/179239498.db2.gz PWGWUGXPHLGDDB-UONOGXRCSA-N 1 0 252.402 2.162 10 0 CEAERO COc1cc(CN2CC[NH2+]C3(CCCCC3)C2)ccn1 ZINC000086148546 179239531 /nfs/dbraw/zinc/23/95/31/179239531.db2.gz GARVLHAACQIPPO-UHFFFAOYSA-N 1 0 275.396 2.198 10 0 CEAERO CC[C@H](C)[C@@H]1CN(c2cnn(C(C)C)c2)CC[NH2+]1 ZINC000086148264 179239567 /nfs/dbraw/zinc/23/95/67/179239567.db2.gz SDRLGHDHAQYVDY-JSGCOSHPSA-N 1 0 250.390 2.288 10 0 CEAERO CC(C)C[C@H]1CN(c2cnn(C)c2)[C@H](C(C)C)C[NH2+]1 ZINC000086218367 179250015 /nfs/dbraw/zinc/25/00/15/179250015.db2.gz FURYNZHQMOZQNK-ZFWWWQNUSA-N 1 0 264.417 2.269 10 0 CEAERO CC(C)[C@H]1C[NH2+][C@](C)(C2CC2)CN1c1cnn(C)c1 ZINC000086218285 179250059 /nfs/dbraw/zinc/25/00/59/179250059.db2.gz IYFOLNZFDPULIT-CABCVRRESA-N 1 0 262.401 2.023 10 0 CEAERO CC(C)[C@H]1CN[C@](C)(C2CC2)C[N@@H+]1C1CCOCC1 ZINC000086218769 179250460 /nfs/dbraw/zinc/25/04/60/179250460.db2.gz MCRDTYRNSWCIIH-CVEARBPZSA-N 1 0 266.429 2.264 10 0 CEAERO Cc1ccc([C@H](C)NC[C@H](O)C[N@H+](C)C2CC2)cc1F ZINC000336829510 365892041 /nfs/dbraw/zinc/89/20/41/365892041.db2.gz ASYOMNODPGXBOK-WFASDCNBSA-N 1 0 280.387 2.240 10 0 CEAERO CC[C@H]1CN(Cc2nccs2)[C@H](C(C)C)C[NH2+]1 ZINC000086226873 179252892 /nfs/dbraw/zinc/25/28/92/179252892.db2.gz FWYRWLYVEYGZIF-RYUDHWBXSA-N 1 0 253.415 2.352 10 0 CEAERO CC[C@@H]1C[NH2+][C@@](C)(CC)CN1Cc1cc(C)on1 ZINC000086259813 179259163 /nfs/dbraw/zinc/25/91/63/179259163.db2.gz YXZABQNOJVDKPM-KGLIPLIRSA-N 1 0 251.374 2.336 10 0 CEAERO C[C@H]1CN[C@@H](c2ccccc2)C[N@@H+]1C[C@@H]1CCCOC1 ZINC000086260074 179259252 /nfs/dbraw/zinc/25/92/52/179259252.db2.gz RZMCDUYBWXLFIO-YQQAZPJKSA-N 1 0 274.408 2.448 10 0 CEAERO Cc1cnc(CN2CC3(CCCCC3)[NH2+]C[C@@H]2C)cn1 ZINC000086263073 179259944 /nfs/dbraw/zinc/25/99/44/179259944.db2.gz HLGGFQOQPMOLSN-AWEZNQCLSA-N 1 0 274.412 2.282 10 0 CEAERO C[C@@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1ccc2c(c1)OCO2 ZINC000086263401 179260086 /nfs/dbraw/zinc/26/00/86/179260086.db2.gz OTVCUFOECTVZOU-PXAZEXFGSA-N 1 0 288.391 2.378 10 0 CEAERO CCC[C@H]1CN(Cc2cnc(C)cn2)[C@H](C(C)C)C[NH2+]1 ZINC000086263124 179260252 /nfs/dbraw/zinc/26/02/52/179260252.db2.gz RYNXPUHKXDWCFT-HOCLYGCPSA-N 1 0 276.428 2.384 10 0 CEAERO CC[C@H]1C[NH2+][C@](C)(CC)CN1Cc1cnc(C)cn1 ZINC000086263088 179260587 /nfs/dbraw/zinc/26/05/87/179260587.db2.gz XYFFRXSIKVPFIB-LSDHHAIUSA-N 1 0 262.401 2.138 10 0 CEAERO C[C@H]1C[NH2+][C@](C)(C2CC2)CN1CCc1nccs1 ZINC000086264292 179260906 /nfs/dbraw/zinc/26/09/06/179260906.db2.gz ZADRHSMQXGSXAR-FZMZJTMJSA-N 1 0 265.426 2.148 10 0 CEAERO CC[C@@H]1C[NH2+]C(C)(C)CN1Cc1ccnc(OC)c1 ZINC000086263879 179261081 /nfs/dbraw/zinc/26/10/81/179261081.db2.gz DHGBVUCGZHYYGN-CYBMUJFWSA-N 1 0 263.385 2.053 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](C2CC2)CN1[C@@H]1COc2ccccc21 ZINC000086267135 179261702 /nfs/dbraw/zinc/26/17/02/179261702.db2.gz YJEVDYISORFEMW-KCPJHIHWSA-N 1 0 258.365 2.192 10 0 CEAERO CC[C@H]1CNC2(CCCC2)C[N@@H+]1[C@@H]1CCCOC1 ZINC000086265212 179262158 /nfs/dbraw/zinc/26/21/58/179262158.db2.gz ASDMEQHZHFXJNJ-UONOGXRCSA-N 1 0 252.402 2.162 10 0 CEAERO COC[C@@H](C)[N@@H+]1CCCN[C@@](C)(c2ccccc2)C1 ZINC000086269638 179262204 /nfs/dbraw/zinc/26/22/04/179262204.db2.gz NHUUSEWXNOLOLT-GDBMZVCRSA-N 1 0 262.397 2.232 10 0 CEAERO C[C@@H]1CCCN(c2nc(Br)cs2)[C@@H]1C[NH3+] ZINC000086290920 179265139 /nfs/dbraw/zinc/26/51/39/179265139.db2.gz NCPBEXCBKJIQTL-HTQZYQBOSA-N 1 0 290.230 2.469 10 0 CEAERO CCC[C@H]1CN(Cc2csc(C)n2)CCC[NH2+]1 ZINC000086290000 179264677 /nfs/dbraw/zinc/26/46/77/179264677.db2.gz KTBDLQIKIOTHEI-LBPRGKRZSA-N 1 0 253.415 2.416 10 0 CEAERO CC(C)CN1C(=O)C[C@H]([NH3+])[C@@H]1c1ccc2ccccc2n1 ZINC000086317460 179270238 /nfs/dbraw/zinc/27/02/38/179270238.db2.gz OKUMBEBZOYKVAF-SUMWQHHRSA-N 1 0 283.375 2.492 10 0 CEAERO CCC[C@H](C[NH3+])[C@@H](O)c1ccc(Br)o1 ZINC000086324709 179271734 /nfs/dbraw/zinc/27/17/34/179271734.db2.gz GLVCJXLMVMPJLI-GMSGAONNSA-N 1 0 262.147 2.451 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1Nc1nc(Br)cs1 ZINC000086291023 179265716 /nfs/dbraw/zinc/26/57/16/179265716.db2.gz RNEQCLDIFWNQEP-RQJHMYQMSA-N 1 0 276.203 2.445 10 0 CEAERO [NH3+]CC1CC(Oc2nc(Br)cs2)C1 ZINC000086291831 179266040 /nfs/dbraw/zinc/26/60/40/179266040.db2.gz AKNZPFYJMIJGGQ-UHFFFAOYSA-N 1 0 263.160 2.022 10 0 CEAERO COC[C@H](C)C[N@@H+]1CCCN[C@H](c2ccccc2)C1 ZINC000086293237 179266796 /nfs/dbraw/zinc/26/67/96/179266796.db2.gz XXVFEDHKGLFNLB-ZBFHGGJFSA-N 1 0 262.397 2.306 10 0 CEAERO c1ccc(C[C@H]2C[N@H+](C[C@@H]3CCCOC3)CCCN2)cc1 ZINC000086292438 179267000 /nfs/dbraw/zinc/26/70/00/179267000.db2.gz ILNFCFAOQDCHGT-ROUUACIJSA-N 1 0 288.435 2.320 10 0 CEAERO C[C@@]1(C2CC2)CN(CCc2nccs2)CCC[NH2+]1 ZINC000086296852 179268402 /nfs/dbraw/zinc/26/84/02/179268402.db2.gz AGKCPJITSWIORM-AWEZNQCLSA-N 1 0 265.426 2.150 10 0 CEAERO C[C@@H](NC(=O)c1ccncc1F)c1ccc(C[NH3+])cc1 ZINC000086315834 179269042 /nfs/dbraw/zinc/26/90/42/179269042.db2.gz YYFZPYNPXHYLGV-SNVBAGLBSA-N 1 0 273.311 2.170 10 0 CEAERO COCCCN(C)[C@H](C[NH3+])c1cc(Cl)cs1 ZINC000086333332 179273507 /nfs/dbraw/zinc/27/35/07/179273507.db2.gz CYGLKROORNTTIY-SNVBAGLBSA-N 1 0 262.806 2.370 10 0 CEAERO [NH3+][C@@H]1CC[C@H](Oc2ncccc2Br)C1 ZINC000086408333 179286058 /nfs/dbraw/zinc/28/60/58/179286058.db2.gz LZUZEUMJRNEAPI-SFYZADRCSA-N 1 0 257.131 2.103 10 0 CEAERO CC[C@H]1CN(C(=O)c2cccc(OC)c2)[C@@H](CC)C[NH2+]1 ZINC000086447288 179296026 /nfs/dbraw/zinc/29/60/26/179296026.db2.gz IJIQFDGLZUODKP-KBPBESRZSA-N 1 0 276.380 2.298 10 0 CEAERO CC[NH+](CC)[C@H]1CCN(c2nc3c(s2)CCC[C@@H]3O)C1 ZINC000086444784 179294900 /nfs/dbraw/zinc/29/49/00/179294900.db2.gz LNPDCLYLOMJIMX-RYUDHWBXSA-N 1 0 295.452 2.433 10 0 CEAERO CC[C@H]1CN(C(=O)Cc2ccc(OC)cc2)[C@@H](CC)C[NH2+]1 ZINC000086447182 179295736 /nfs/dbraw/zinc/29/57/36/179295736.db2.gz RCQXXKDZAZUMGE-GJZGRUSLSA-N 1 0 290.407 2.227 10 0 CEAERO NC1=[NH+]C[C@@H](C2CC2)N1c1ccccc1Br ZINC000086474534 179300272 /nfs/dbraw/zinc/30/02/72/179300272.db2.gz YBRMVFMKUAZVAD-NSHDSACASA-N 1 0 280.169 2.362 10 0 CEAERO CCCc1ccc(NC(=O)CN2C[C@H](C)[NH2+]C[C@@H]2C)cc1 ZINC000086470629 179300343 /nfs/dbraw/zinc/30/03/43/179300343.db2.gz GCZDJJJWBOFWJD-KBPBESRZSA-N 1 0 289.423 2.260 10 0 CEAERO [NH3+][C@@H]1COC[C@@H]1c1nc2ccc(Cl)cc2s1 ZINC000086480056 179300371 /nfs/dbraw/zinc/30/03/71/179300371.db2.gz BGHOINTWAKXFPI-JGVFFNPUSA-N 1 0 254.742 2.391 10 0 CEAERO C[NH2+]CCSc1cc(Br)ccc1N ZINC000086479036 179300638 /nfs/dbraw/zinc/30/06/38/179300638.db2.gz ZAOKJUPQDYXSJB-UHFFFAOYSA-N 1 0 261.188 2.343 10 0 CEAERO C[NH2+][C@@H](Cc1cccnc1N)[C@H]1Cc2ccccc21 ZINC000086488631 179301692 /nfs/dbraw/zinc/30/16/92/179301692.db2.gz FPWWZOKXLFEAKB-GJZGRUSLSA-N 1 0 253.349 2.134 10 0 CEAERO C[C@]1(c2nc([C@@H]3Cc4ccccc43)no2)CC[NH2+]C1 ZINC000086486214 179301736 /nfs/dbraw/zinc/30/17/36/179301736.db2.gz ISQHKYFJXPNYNK-DOMZBBRYSA-N 1 0 255.321 2.009 10 0 CEAERO CC[NH2+][C@H](Cc1cnn(C)c1)[C@H]1Cc2ccccc21 ZINC000086489555 179302301 /nfs/dbraw/zinc/30/23/01/179302301.db2.gz BUFJINHTCYRRNL-JKSUJKDBSA-N 1 0 255.365 2.281 10 0 CEAERO CC[NH2+][C@H](Cc1cnn(C)c1)[C@@H]1Cc2ccccc21 ZINC000086489553 179302338 /nfs/dbraw/zinc/30/23/38/179302338.db2.gz BUFJINHTCYRRNL-HZPDHXFCSA-N 1 0 255.365 2.281 10 0 CEAERO c1ccc2c(c1)C[C@@H]2c1ncc(C[NH2+]C2CC2)cn1 ZINC000086490749 179302547 /nfs/dbraw/zinc/30/25/47/179302547.db2.gz UJDFPNHZPWFISK-HNNXBMFYSA-N 1 0 251.333 2.417 10 0 CEAERO C[NH2+][C@@H](Cc1nc([C@H]2Cc3ccccc32)no1)C1CC1 ZINC000086492240 179302568 /nfs/dbraw/zinc/30/25/68/179302568.db2.gz JQYQSDRVXZMDNJ-KBPBESRZSA-N 1 0 269.348 2.298 10 0 CEAERO CCN1C(=[NH2+])NC[C@@]1(C)c1cccc(Br)c1 ZINC000086459595 179296284 /nfs/dbraw/zinc/29/62/84/179296284.db2.gz PMRJFYBODOXHIP-LBPRGKRZSA-N 1 0 282.185 2.315 10 0 CEAERO COC(OC)[C@@H]([NH3+])Cc1c(Cl)cccc1Cl ZINC000086451992 179296395 /nfs/dbraw/zinc/29/63/95/179296395.db2.gz RRRVFTIQIHTFEY-JTQLQIEISA-N 1 0 264.152 2.482 10 0 CEAERO CN1C(=[NH2+])NC[C@]1(C)c1cc(Cl)ccc1Cl ZINC000086458712 179296540 /nfs/dbraw/zinc/29/65/40/179296540.db2.gz WYOAOCKMHASLST-LLVKDONJSA-N 1 0 258.152 2.469 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCC2(CCC2)CC1 ZINC000308697143 539577824 /nfs/dbraw/zinc/57/78/24/539577824.db2.gz NGKKLBZZYSWHKT-STQMWFEESA-N 1 0 250.386 2.154 10 0 CEAERO CC[C@@H]1CN(CC(=O)N[C@@H]2CCCC[C@@H]2C)[C@@H](CC)C[NH2+]1 ZINC000086464349 179296833 /nfs/dbraw/zinc/29/68/33/179296833.db2.gz WKZPUDZLFYJUFN-XUWVNRHRSA-N 1 0 295.471 2.144 10 0 CEAERO C[C@@H](c1ccc2c(c1)OCCO2)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000086466895 179297046 /nfs/dbraw/zinc/29/70/46/179297046.db2.gz HKSJVXYIKKEMBT-AGIUHOORSA-N 1 0 276.380 2.201 10 0 CEAERO C[C@@H]1CN(Cc2ncc(C(C)(C)C)o2)[C@@H](C)C[NH2+]1 ZINC000086469527 179300084 /nfs/dbraw/zinc/30/00/84/179300084.db2.gz GAMFOVLTFYIZBO-MNOVXSKESA-N 1 0 251.374 2.154 10 0 CEAERO CC[C@]([NH3+])(CCS(=O)(=O)CC)c1ccccc1 ZINC000086567145 179307783 /nfs/dbraw/zinc/30/77/83/179307783.db2.gz QBPYLJOTFYLQEO-ZDUSSCGKSA-N 1 0 255.383 2.075 10 0 CEAERO CCCCC1CCC([NH3+])([C@H]2CCS(=O)(=O)C2)CC1 ZINC000086566150 179307841 /nfs/dbraw/zinc/30/78/41/179307841.db2.gz BZUBWXUEELWJIU-MOKVOYLWSA-N 1 0 273.442 2.499 10 0 CEAERO COc1ccc([C@H](C[NH3+])N2CCC(OC)CC2)cc1Cl ZINC000086586458 179310213 /nfs/dbraw/zinc/31/02/13/179310213.db2.gz GEMGPYHJMSBSHS-AWEZNQCLSA-N 1 0 298.814 2.459 10 0 CEAERO COc1ccc([C@@H](C[NH3+])N2CCOC(C)(C)C2)cc1Cl ZINC000086586527 179310305 /nfs/dbraw/zinc/31/03/05/179310305.db2.gz GTCSMDFBYJASEJ-CYBMUJFWSA-N 1 0 298.814 2.459 10 0 CEAERO COc1ccc([C@@H](C[NH3+])N2CCCOCC2)cc1Cl ZINC000086595106 179310795 /nfs/dbraw/zinc/31/07/95/179310795.db2.gz VFYMPSSBSFCPOV-CYBMUJFWSA-N 1 0 284.787 2.071 10 0 CEAERO [NH3+]CCCc1nc2cc(F)c(Br)cc2[nH]1 ZINC000086598575 179310831 /nfs/dbraw/zinc/31/08/31/179310831.db2.gz MJSMMBISBJFLJV-UHFFFAOYSA-N 1 0 272.121 2.356 10 0 CEAERO C[NH2+][C@H](COC)c1cc(F)cc(Br)c1 ZINC000086526435 179306061 /nfs/dbraw/zinc/30/60/61/179306061.db2.gz QQTJYSNEKTUHAA-SNVBAGLBSA-N 1 0 262.122 2.495 10 0 CEAERO CCn1c2ccc(C[NH3+])cc2nc1[C@H]1CCCOC1 ZINC000086641871 179314990 /nfs/dbraw/zinc/31/49/90/179314990.db2.gz UCUJVEIXUUXCTB-LBPRGKRZSA-N 1 0 259.353 2.409 10 0 CEAERO CC(C)n1c2ccc(C[NH3+])cc2nc1[C@H]1COCCO1 ZINC000086641507 179315296 /nfs/dbraw/zinc/31/52/96/179315296.db2.gz YTCGONQFDBKUIJ-CQSZACIVSA-N 1 0 275.352 2.164 10 0 CEAERO O[C@]1([C@H]2CCc3ccccc3N2)CC[N@@H+](C2CC2)C1 ZINC000086666778 179316986 /nfs/dbraw/zinc/31/69/86/179316986.db2.gz BJEGBKZWGUBOFI-HZPDHXFCSA-N 1 0 258.365 2.013 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1S(C)(=O)=O)c1ccsc1 ZINC000086675946 179319528 /nfs/dbraw/zinc/31/95/28/179319528.db2.gz QAKWHEYBWAFPOS-WCQGTBRESA-N 1 0 273.423 2.364 10 0 CEAERO COC[C@H]([NH2+]Cc1c[nH]nc1-c1cccnc1)C(C)C ZINC000086696459 179320415 /nfs/dbraw/zinc/32/04/15/179320415.db2.gz XGKJTSNJSKSTDZ-AWEZNQCLSA-N 1 0 274.368 2.232 10 0 CEAERO CCC[C@@H](C)[NH+]1CCC([N@@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000086776339 179328761 /nfs/dbraw/zinc/32/87/61/179328761.db2.gz WMHSBWXJNQUPGP-TZMCWYRMSA-N 1 0 268.401 2.188 10 0 CEAERO CCC(CC)[NH+]1CCC([N@@H+]2CCC[C@H]2C(=O)[O-])CC1 ZINC000086776265 179328957 /nfs/dbraw/zinc/32/89/57/179328957.db2.gz TVIDRBZPGXQCJU-AWEZNQCLSA-N 1 0 268.401 2.188 10 0 CEAERO C[C@@H]1CCC[C@@](C[NH3+])(OCC(=O)NC2CCCCC2)C1 ZINC000086713055 179322832 /nfs/dbraw/zinc/32/28/32/179322832.db2.gz VPEICTGNRBBKNL-CZUORRHYSA-N 1 0 282.428 2.360 10 0 CEAERO Cc1nccn1CCO[C@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000086713101 179322866 /nfs/dbraw/zinc/32/28/66/179322866.db2.gz NROKQHFCSLZLRY-TZMCWYRMSA-N 1 0 251.374 2.116 10 0 CEAERO C[C@H](O[C@]1(C[NH3+])CCC[C@@H](C)C1)C(=O)NC1CCCC1 ZINC000086712629 179322895 /nfs/dbraw/zinc/32/28/95/179322895.db2.gz IAGCNHMQFQXFAD-DVOMOZLQSA-N 1 0 282.428 2.358 10 0 CEAERO CC[N@@H+]1CCC[C@H](Nc2cc(C(N)=O)ccc2F)CC1 ZINC000086838601 179350974 /nfs/dbraw/zinc/35/09/74/179350974.db2.gz YCXCIWXOEOBXIR-LBPRGKRZSA-N 1 0 279.359 2.211 10 0 CEAERO CC[C@H](C)[C@H](N[C@@H]1CCC[N@H+](CC)CC1)C(=O)OC ZINC000086839583 179351657 /nfs/dbraw/zinc/35/16/57/179351657.db2.gz VWSCGTPRXBXNKH-MJBXVCDLSA-N 1 0 270.417 2.038 10 0 CEAERO Cc1cc(CN[C@@H]2CCC[N@@H+](C(C)C)CC2)no1 ZINC000086843469 179353783 /nfs/dbraw/zinc/35/37/83/179353783.db2.gz YLATYBMMUQSEOU-CYBMUJFWSA-N 1 0 251.374 2.336 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NCc2scnc2C)CC1 ZINC000086844868 179355498 /nfs/dbraw/zinc/35/54/98/179355498.db2.gz LHQRLSCGJPTFJF-GFCCVEGCSA-N 1 0 253.415 2.416 10 0 CEAERO CC[NH+](CC)[C@]1(CC(=O)[O-])CCC[N@@H+](C(C)C)CC1 ZINC000086868488 179360847 /nfs/dbraw/zinc/36/08/47/179360847.db2.gz UWPMDLFMCBCLDV-OAHLLOKOSA-N 1 0 270.417 2.436 10 0 CEAERO Cn1cnnc1CC[NH2+][C@H]1CCCc2sccc21 ZINC000104067467 185891069 /nfs/dbraw/zinc/89/10/69/185891069.db2.gz YAIDORRGKGXKPC-NSHDSACASA-N 1 0 262.382 2.086 10 0 CEAERO CCC[N@@H+]1CCC[C@@H]([NH+]2CCC[C@@]2(C)C(=O)[O-])CC1 ZINC000086869348 179363465 /nfs/dbraw/zinc/36/34/65/179363465.db2.gz FJIBRNXCJYZHHX-HIFRSBDPSA-N 1 0 268.401 2.190 10 0 CEAERO c1coc(COCCC[NH2+][C@H]2CCCOCC2)c1 ZINC000086870059 179363709 /nfs/dbraw/zinc/36/37/09/179363709.db2.gz MLMRMRXNIOABBF-ZDUSSCGKSA-N 1 0 253.342 2.345 10 0 CEAERO COc1ccc([C@]2([NH3+])CCCOCC2)c(OC)c1 ZINC000086870498 179363713 /nfs/dbraw/zinc/36/37/13/179363713.db2.gz RUGMDZMBVSRBEP-AWEZNQCLSA-N 1 0 251.326 2.058 10 0 CEAERO CC[N@@H+]1CCC[C@](NCc2ccccc2)(C(=O)OC)CC1 ZINC000086849887 179357989 /nfs/dbraw/zinc/35/79/89/179357989.db2.gz UDMXMCDNPYAGPM-QGZVFWFLSA-N 1 0 290.407 2.194 10 0 CEAERO CC[N@@H+]1CCC[C@@](NCc2cccs2)(C(=O)OC)CC1 ZINC000086850319 179358164 /nfs/dbraw/zinc/35/81/64/179358164.db2.gz XWZKYDFMEPNDQW-HNNXBMFYSA-N 1 0 296.436 2.255 10 0 CEAERO CCC[N@@H+]1CCC[C@@](Nc2cccc(F)c2)(C(N)=O)CC1 ZINC000086849486 179358172 /nfs/dbraw/zinc/35/81/72/179358172.db2.gz ILJOEEGDNDVKBW-INIZCTEOSA-N 1 0 293.386 2.358 10 0 CEAERO CCCn1nccc1[C@]1(O)CCC[N@H+](CCC)CC1 ZINC000086852729 179359053 /nfs/dbraw/zinc/35/90/53/179359053.db2.gz FEWSZONLGWMFRT-HNNXBMFYSA-N 1 0 265.401 2.377 10 0 CEAERO [NH3+]C1(CC(=O)Nc2ncccc2Br)CCC1 ZINC000086853731 179359196 /nfs/dbraw/zinc/35/91/96/179359196.db2.gz KNMXLLVDWNJHMA-UHFFFAOYSA-N 1 0 284.157 2.054 10 0 CEAERO CCS(=O)(=O)CCC[C@]1([NH3+])CCC[C@H](C)CC1 ZINC000086977549 179372476 /nfs/dbraw/zinc/37/24/76/179372476.db2.gz OSVWPKYGUPVYOF-QWHCGFSZSA-N 1 0 261.431 2.499 10 0 CEAERO CCc1ccc([C@H]([NH3+])CCCS(=O)(=O)CC)cc1 ZINC000086978598 179372487 /nfs/dbraw/zinc/37/24/87/179372487.db2.gz BPRKIFPBJYJODO-CQSZACIVSA-N 1 0 269.410 2.464 10 0 CEAERO CC[C@H]1CCC[C@@]([NH3+])(CCCS(=O)(=O)CC)C1 ZINC000086977456 179372719 /nfs/dbraw/zinc/37/27/19/179372719.db2.gz XSOPJQJSWBOJCR-QWHCGFSZSA-N 1 0 261.431 2.499 10 0 CEAERO CC[C@](C)([NH3+])c1nc([C@H]2CSCCS2)no1 ZINC000086981386 179373482 /nfs/dbraw/zinc/37/34/82/179373482.db2.gz UJKXXCYWRCKPLX-XCBNKYQSSA-N 1 0 259.400 2.175 10 0 CEAERO Cc1nn(C)c(/C=C2\CC[C@@H]([NH3+])C2)c1Br ZINC000086883076 179365442 /nfs/dbraw/zinc/36/54/42/179365442.db2.gz ODBUGWQYHITSQR-BNICOGTQSA-N 1 0 270.174 2.386 10 0 CEAERO C[NH2+][C@H](Cc1ccncc1)[C@@H]1CSCCS1 ZINC000086985084 179373606 /nfs/dbraw/zinc/37/36/06/179373606.db2.gz TWMKXVMEIUMLRK-NEPJUHHUSA-N 1 0 254.424 2.061 10 0 CEAERO CC[C@@H]1CCC[C@@]([NH3+])(CCCS(C)(=O)=O)CC1 ZINC000086896329 179366850 /nfs/dbraw/zinc/36/68/50/179366850.db2.gz ADKURBFPUYOBJE-CHWSQXEVSA-N 1 0 261.431 2.499 10 0 CEAERO CC[C@H]1CCC[C@](C(=O)OC)(N2CCC[NH2+]CC2)CC1 ZINC000086915576 179367332 /nfs/dbraw/zinc/36/73/32/179367332.db2.gz LEZZCOSONMPSRY-HOCLYGCPSA-N 1 0 282.428 2.184 10 0 CEAERO CC[C@@H]1CCC[C@]([NH2+]CCN(CC)CC)(C(N)=O)CC1 ZINC000086914587 179367396 /nfs/dbraw/zinc/36/73/96/179367396.db2.gz TXTJNPIUQQHODY-GDBMZVCRSA-N 1 0 283.460 2.132 10 0 CEAERO C[C@H]1SCCC[C@]1(CN)[N@@H+]1CCCSCC1 ZINC000086946176 179367949 /nfs/dbraw/zinc/36/79/49/179367949.db2.gz WRHSTFXUPKVLPJ-VXGBXAGGSA-N 1 0 260.472 2.038 10 0 CEAERO CCC[C@@H](CC[NH3+])CCc1nc(CCCOC)no1 ZINC000086962862 179369251 /nfs/dbraw/zinc/36/92/51/179369251.db2.gz JDPZSRVYPNNXGU-GFCCVEGCSA-N 1 0 269.389 2.346 10 0 CEAERO CC[C@@H](C)n1ccc(C[C@@H](CCCOC)[NH2+]C)n1 ZINC000086969857 179370594 /nfs/dbraw/zinc/37/05/94/179370594.db2.gz LYJDEEAJPIJZLU-CHWSQXEVSA-N 1 0 253.390 2.411 10 0 CEAERO CCS(=O)(=O)CCCOc1c(C)cc(C[NH2+]C)cc1C ZINC000086972690 179371246 /nfs/dbraw/zinc/37/12/46/179371246.db2.gz CYTATQNADZZKAQ-UHFFFAOYSA-N 1 0 299.436 2.226 10 0 CEAERO CCCn1ccnc1[C@@H]([NH3+])[C@@H]1CSCCS1 ZINC000086984268 179373923 /nfs/dbraw/zinc/37/39/23/179373923.db2.gz SMOOVMQMGMQIGM-UWVGGRQHSA-N 1 0 257.428 2.142 10 0 CEAERO CCC(O)(CC)C[NH2+]Cc1[nH]nnc1-c1ccccc1 ZINC000087015052 179379730 /nfs/dbraw/zinc/37/97/30/179379730.db2.gz DZTXLVSGFHCXMY-UHFFFAOYSA-N 1 0 274.368 2.112 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@](C)(O)CC)c1C ZINC000087013786 179379990 /nfs/dbraw/zinc/37/99/90/179379990.db2.gz USYBOYAYRWKNOM-IINYFYTJSA-N 1 0 253.390 2.331 10 0 CEAERO Cc1cc([C@H]([NH3+])CCCC(N)=O)sc1Br ZINC000087019497 179381321 /nfs/dbraw/zinc/38/13/21/179381321.db2.gz DPRBTOMNAMGEHK-SSDOTTSWSA-N 1 0 291.214 2.474 10 0 CEAERO C[NH2+][C@H](Cc1csc(C)n1)[C@H]1CSCCS1 ZINC000086985066 179374171 /nfs/dbraw/zinc/37/41/71/179374171.db2.gz AJZUOMMICQIFCN-GHMZBOCLSA-N 1 0 274.480 2.431 10 0 CEAERO [NH3+][C@H](Cc1ccc(Cl)s1)[C@@H]1CSCCO1 ZINC000086986846 179374421 /nfs/dbraw/zinc/37/44/21/179374421.db2.gz CTRRRROFTZRVQW-BDAKNGLRSA-N 1 0 263.815 2.403 10 0 CEAERO [NH3+][C@@H]1CCCc2nc([C@@H]3CSCCO3)sc21 ZINC000086989832 179374685 /nfs/dbraw/zinc/37/46/85/179374685.db2.gz XEVWICGKOLYJOL-APPZFPTMSA-N 1 0 256.396 2.284 10 0 CEAERO COc1ccc([C@H](CO)[NH2+]C2CCCC2)cc1F ZINC000086994934 179375957 /nfs/dbraw/zinc/37/59/57/179375957.db2.gz YZKKIWVPHUDOIZ-ZDUSSCGKSA-N 1 0 253.317 2.400 10 0 CEAERO COc1ccc([C@@H]2[C@@H](C[NH3+])CCN2C2CC2)cc1F ZINC000086994952 179376068 /nfs/dbraw/zinc/37/60/68/179376068.db2.gz POAADTGAXKWGIQ-IAQYHMDHSA-N 1 0 264.344 2.318 10 0 CEAERO CCC(O)(CC)C[NH2+]C[C@@H](O)COc1c(C)cccc1C ZINC000087028233 179381936 /nfs/dbraw/zinc/38/19/36/179381936.db2.gz PZGSWPDIOCTIDT-OAHLLOKOSA-N 1 0 295.423 2.184 10 0 CEAERO CCOC(=O)CC[C@H]([NH3+])Cc1ccc(OC)c(F)c1 ZINC000086994398 179376376 /nfs/dbraw/zinc/37/63/76/179376376.db2.gz AHICPGZJOWPWFC-NSHDSACASA-N 1 0 269.316 2.047 10 0 CEAERO CC[NH2+]C[C@@H]1CCN(C)[C@@H]1c1ccc(OC)c(F)c1 ZINC000086994830 179376396 /nfs/dbraw/zinc/37/63/96/179376396.db2.gz KIHWAACTKLXCQR-SWLSCSKDSA-N 1 0 266.360 2.437 10 0 CEAERO CCC(O)(CC)C[NH2+]C[C@H](C(=O)OC)c1ccccc1 ZINC000087028268 179381940 /nfs/dbraw/zinc/38/19/40/179381940.db2.gz GDHNYBUPUXYXHN-AWEZNQCLSA-N 1 0 279.380 2.084 10 0 CEAERO C[C@@H]1C[C@H]([NH3+])CN(Cc2ccc(Br)o2)C1 ZINC000087040075 179386349 /nfs/dbraw/zinc/38/63/49/179386349.db2.gz BTTZCVJDWPCAIQ-BDAKNGLRSA-N 1 0 273.174 2.211 10 0 CEAERO CC1CCC(O)(C[NH2+][C@@H]2COc3cc(O)ccc32)CC1 ZINC000087043984 179387730 /nfs/dbraw/zinc/38/77/30/179387730.db2.gz PXXDUYZULGCUOB-OFWKBQFLSA-N 1 0 277.364 2.357 10 0 CEAERO C[C@@H]1CCC[C@@](O)(C[NH2+]C[C@@H]2CCCCN2C)C1 ZINC000087051485 179388566 /nfs/dbraw/zinc/38/85/66/179388566.db2.gz GWNDJVHDYYZJQR-ILXRZTDVSA-N 1 0 254.418 2.002 10 0 CEAERO C[C@H]1CCC[C@@](O)(C[NH2+]C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000087052351 179388865 /nfs/dbraw/zinc/38/88/65/179388865.db2.gz XRSFLOSKWRPSPG-LRDDRELGSA-N 1 0 298.427 2.137 10 0 CEAERO Cc1ccc(NC(=O)[C@H](C)[NH2+]CC2(O)CCCC2)cc1 ZINC000087028799 179382454 /nfs/dbraw/zinc/38/24/54/179382454.db2.gz ZBHGJTYQTLHVHF-ZDUSSCGKSA-N 1 0 276.380 2.217 10 0 CEAERO CC(C)CCCOC[C@@H](O)C[NH2+]CC1(O)CCCCC1 ZINC000087029257 179382492 /nfs/dbraw/zinc/38/24/92/179382492.db2.gz XBLPRJWVLDQDKY-HNNXBMFYSA-N 1 0 287.444 2.085 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)OCc1cccc(Cl)c1 ZINC000087090532 179394409 /nfs/dbraw/zinc/39/44/09/179394409.db2.gz PRLAMEZROCQSEH-CABZTGNLSA-N 1 0 253.729 2.239 10 0 CEAERO C[C@H]1CCC[C@](O)(C[NH2+]CC(=O)Nc2cccc(F)c2)C1 ZINC000087064341 179390384 /nfs/dbraw/zinc/39/03/84/179390384.db2.gz GOFUPOJWVJPOGE-BLLLJJGKSA-N 1 0 294.370 2.295 10 0 CEAERO NC(=O)c1ccc(C[NH2+]CC2(O)CCCCCC2)c(F)c1 ZINC000087089467 179393565 /nfs/dbraw/zinc/39/35/65/179393565.db2.gz JFFCKTSMFBTYAT-UHFFFAOYSA-N 1 0 294.370 2.100 10 0 CEAERO CC[C@H]1C[NH2+]C[C@H](c2cc(OC)cc(OC)c2)O1 ZINC000087090353 179393987 /nfs/dbraw/zinc/39/39/87/179393987.db2.gz WCDKJMJHDYUXNH-SMDDNHRTSA-N 1 0 251.326 2.143 10 0 CEAERO Cc1nn(C)c(OCc2ccc(Cl)cc2)c1C[NH3+] ZINC000087090668 179394028 /nfs/dbraw/zinc/39/40/28/179394028.db2.gz WPSWGFQGFIDUJI-UHFFFAOYSA-N 1 0 265.744 2.420 10 0 CEAERO CC[C@H]1C[NH2+]C[C@](C)(Cc2ccc(OC)c(OC)c2)O1 ZINC000087090229 179394049 /nfs/dbraw/zinc/39/40/49/179394049.db2.gz VRRKSFRNKFXELL-BBRMVZONSA-N 1 0 279.380 2.403 10 0 CEAERO Brc1ccc2c(c1)CC[C@H]([NH2+]C1COC1)C2 ZINC000087194664 179399676 /nfs/dbraw/zinc/39/96/76/179399676.db2.gz USCMYFAQAXHXLC-LBPRGKRZSA-N 1 0 282.181 2.295 10 0 CEAERO Brc1ccc2c(c1)CC[C@@H]([NH2+]C1COC1)C2 ZINC000087194665 179399717 /nfs/dbraw/zinc/39/97/17/179399717.db2.gz USCMYFAQAXHXLC-GFCCVEGCSA-N 1 0 282.181 2.295 10 0 CEAERO C[NH2+]Cc1ccc(O[C@H](C)[C@@H](C)O)c(Br)c1 ZINC000087125619 179396144 /nfs/dbraw/zinc/39/61/44/179396144.db2.gz FYHWTNNXJPIKSH-RKDXNWHRSA-N 1 0 288.185 2.317 10 0 CEAERO CC[NH2+]Cc1cnc(C)n1CCCOCC(F)(F)F ZINC000087320822 179412802 /nfs/dbraw/zinc/41/28/02/179412802.db2.gz NLEDZBZTTBKUAS-UHFFFAOYSA-N 1 0 279.306 2.270 10 0 CEAERO COc1cc(OC)c(-c2cnc(CCC[NH3+])o2)cc1OC ZINC000087328375 179412972 /nfs/dbraw/zinc/41/29/72/179412972.db2.gz WVUHMLHJIIDRIL-UHFFFAOYSA-N 1 0 292.335 2.259 10 0 CEAERO [NH3+]C[C@H](c1ccc2c(c1)OCCO2)[C@@H](O)C1CCCCC1 ZINC000087382056 179417735 /nfs/dbraw/zinc/41/77/35/179417735.db2.gz ULJGDVOORCELPP-PBHICJAKSA-N 1 0 291.391 2.441 10 0 CEAERO Cc1ccccc1[C@H](C)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000248176774 539622532 /nfs/dbraw/zinc/62/25/32/539622532.db2.gz VSKYWSPFULMWQK-JKSUJKDBSA-N 1 0 274.408 2.463 10 0 CEAERO CC(C)[C@H](C[NH3+])NC(=O)[C@H]1CCCc2ccccc21 ZINC000087403654 179419484 /nfs/dbraw/zinc/41/94/84/179419484.db2.gz XBFKYBAZEBBLGG-GJZGRUSLSA-N 1 0 260.381 2.206 10 0 CEAERO C[C@H](CCC[C@H](C)[NH3+])C(=O)Nc1ccc(CCO)cc1 ZINC000087698836 179473010 /nfs/dbraw/zinc/47/30/10/179473010.db2.gz PRKHHWHQKYGINK-OLZOCXBDSA-N 1 0 278.396 2.314 10 0 CEAERO COc1ccc(C)cc1CSc1nnc(C)n1CC[NH3+] ZINC000087714977 179476352 /nfs/dbraw/zinc/47/63/52/179476352.db2.gz VIMPWAXSCZBEEF-UHFFFAOYSA-N 1 0 292.408 2.155 10 0 CEAERO CC(C)(C[C@@H]([NH3+])c1ccc2c(c1)CC(C)(C)O2)C(N)=O ZINC000087722980 179477656 /nfs/dbraw/zinc/47/76/56/179477656.db2.gz MYLNCINFGLFAQR-GFCCVEGCSA-N 1 0 276.380 2.302 10 0 CEAERO COc1cc([C@@H]2CCC[N@H+](C)C2)c(C)cc1NC=O ZINC000616220752 348462077 /nfs/dbraw/zinc/46/20/77/348462077.db2.gz YXDZVVYDZQNFHT-GFCCVEGCSA-N 1 0 262.353 2.381 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)Nc1cc(C(=O)OC)ccc1C ZINC000087517640 179438241 /nfs/dbraw/zinc/43/82/41/179438241.db2.gz KBUPEDMGMVWUIJ-GFCCVEGCSA-N 1 0 278.352 2.095 10 0 CEAERO CC[C@H](C[NH3+])C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 ZINC000087516880 179438573 /nfs/dbraw/zinc/43/85/73/179438573.db2.gz OQRHEYPGDGIRAP-MRVPVSSYSA-N 1 0 284.743 2.050 10 0 CEAERO CC[C@H](C[NH3+])C(=O)Nc1ccc(-c2cnco2)cc1 ZINC000087523337 179440274 /nfs/dbraw/zinc/44/02/74/179440274.db2.gz GDVHANBUCKHLIO-SNVBAGLBSA-N 1 0 259.309 2.265 10 0 CEAERO CC[C@H](C[NH3+])C(=O)Nc1cc(OC)ccc1Cl ZINC000087533275 179442341 /nfs/dbraw/zinc/44/23/41/179442341.db2.gz PACDPIAWASSPGE-MRVPVSSYSA-N 1 0 256.733 2.272 10 0 CEAERO CC[NH2+][C@@]1(CC(=O)OCC)CCO[C@H](C(C)C)C1 ZINC000087549317 179444645 /nfs/dbraw/zinc/44/46/45/179444645.db2.gz DEMZCPMYLFJUBO-JSGCOSHPSA-N 1 0 257.374 2.123 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)NCc1sccc1Br ZINC000087575734 179448617 /nfs/dbraw/zinc/44/86/17/179448617.db2.gz XFOOEVPWEKYCBF-ZETCQYMHSA-N 1 0 291.214 2.112 10 0 CEAERO CC(C)[N@@H+]1CCOC[C@H](c2cccc3nnccc32)C1 ZINC000616659614 348551944 /nfs/dbraw/zinc/55/19/44/348551944.db2.gz LQPDAQDCQLMWBS-CYBMUJFWSA-N 1 0 271.364 2.454 10 0 CEAERO OCC[N@@H+]1CCCO[C@H](c2ccc(Cl)cc2)C1 ZINC000616648827 348546777 /nfs/dbraw/zinc/54/67/77/348546777.db2.gz DMDQFSKWTYZYMC-ZDUSSCGKSA-N 1 0 255.745 2.096 10 0 CEAERO CCc1nc(N[C@@H](C)[C@@H](C)CC)c(C)c(NN)[nH+]1 ZINC000087918595 179523234 /nfs/dbraw/zinc/52/32/34/179523234.db2.gz ZVGINHFGICYLEI-WPRPVWTQSA-N 1 0 251.378 2.480 10 0 CEAERO Cc1ncsc1CC[C@@]1(C[NH3+])CCCC[C@@H]1O ZINC000087931417 179525870 /nfs/dbraw/zinc/52/58/70/179525870.db2.gz FRJDBEZMLAFKCA-QWHCGFSZSA-N 1 0 254.399 2.264 10 0 CEAERO OCC[N@@H+]1CCCC[C@@H](c2ccc3nnccc3c2)C1 ZINC000616652261 348548684 /nfs/dbraw/zinc/54/86/84/348548684.db2.gz GNSZZTKPXLCPBT-OAHLLOKOSA-N 1 0 271.364 2.192 10 0 CEAERO CC[N@@H+]1CCCO[C@@H](c2ccc(NC(C)=O)cc2)C1 ZINC000616653702 348549033 /nfs/dbraw/zinc/54/90/33/348549033.db2.gz VSMVHMLEJDYBCD-OAHLLOKOSA-N 1 0 262.353 2.428 10 0 CEAERO CC(C)[N@@H+]1CCCO[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000616653703 348549239 /nfs/dbraw/zinc/54/92/39/348549239.db2.gz VTJQYJXTTUBSJT-ZDUSSCGKSA-N 1 0 286.416 2.401 10 0 CEAERO CCC(CC)N(C)c1nc(NN)[nH+]cc1Br ZINC000087854334 179501328 /nfs/dbraw/zinc/50/13/28/179501328.db2.gz ZAAXGFPQYVXSNF-UHFFFAOYSA-N 1 0 288.193 2.150 10 0 CEAERO CC[NH2+][C@H](Cc1ccc(F)cc1Cl)[C@H]1COCCO1 ZINC000087857893 179502511 /nfs/dbraw/zinc/50/25/11/179502511.db2.gz DPWBFBKFQBXOAZ-ZIAGYGMSSA-N 1 0 287.762 2.415 10 0 CEAERO O=C(N[C@H]1C[NH2+]CC[C@@H]1c1ccccc1)C1CCC1 ZINC000616569840 348523452 /nfs/dbraw/zinc/52/34/52/348523452.db2.gz KVWZSCYVJOEPPB-CABCVRRESA-N 1 0 258.365 2.048 10 0 CEAERO CCC[NH2+][C@@H](Cc1cccc(OC)c1)[C@@H]1COCCO1 ZINC000087858838 179503057 /nfs/dbraw/zinc/50/30/57/179503057.db2.gz QFFSMZQEVQIMQC-HOTGVXAUSA-N 1 0 279.380 2.021 10 0 CEAERO C[NH2+][C@@H]1CC(C)(C)Cc2c1cnn2-c1ccc(C)nn1 ZINC000087862364 179504465 /nfs/dbraw/zinc/50/44/65/179504465.db2.gz GFGSUCZRKUWREC-GFCCVEGCSA-N 1 0 271.368 2.204 10 0 CEAERO CCC[C@H](c1nc(C)cc(C(F)F)n1)N1CC[NH2+]CC1 ZINC000616580399 348525953 /nfs/dbraw/zinc/52/59/53/348525953.db2.gz WSTDXDVYRWGCIW-GFCCVEGCSA-N 1 0 284.354 2.469 10 0 CEAERO CCCCN(c1nc(NN)[nH+]cc1F)[C@@H](C)CC ZINC000087866794 179505602 /nfs/dbraw/zinc/50/56/02/179505602.db2.gz SHHWRXRTGSKFNM-VIFPVBQESA-N 1 0 255.341 2.306 10 0 CEAERO CC(C)(C)[N@@H+]1CCCOC[C@H]1c1ccc(C(N)=O)cc1 ZINC000616597259 348529430 /nfs/dbraw/zinc/52/94/30/348529430.db2.gz OQJVHRBZPGASAU-AWEZNQCLSA-N 1 0 276.380 2.347 10 0 CEAERO CC[N@@H+]1CCCOC[C@@H]1c1cccc2ccnnc21 ZINC000616599173 348529940 /nfs/dbraw/zinc/52/99/40/348529940.db2.gz ILUSGVAFFTZDSQ-CQSZACIVSA-N 1 0 257.337 2.413 10 0 CEAERO Cc1cc(NCc2ccc(Cl)s2)nc(NN)[nH+]1 ZINC000087880122 179508892 /nfs/dbraw/zinc/50/88/92/179508892.db2.gz YFPNTPIOEZXJRX-UHFFFAOYSA-N 1 0 269.761 2.398 10 0 CEAERO CSc1nc(NC[C@H](C)C(C)C)cc(NN)[nH+]1 ZINC000087881714 179509456 /nfs/dbraw/zinc/50/94/56/179509456.db2.gz KDQJFWNRDWKNGV-QMMMGPOBSA-N 1 0 255.391 2.188 10 0 CEAERO CC(=O)Nc1ccc([C@H]2CCCC[N@H+](CCO)C2)cc1 ZINC000616605386 348532961 /nfs/dbraw/zinc/53/29/61/348532961.db2.gz ZVYHYDGIURKTQJ-HNNXBMFYSA-N 1 0 276.380 2.207 10 0 CEAERO CCOC(=O)c1ccccc1[C@@H]1CCCCN1CC[NH3+] ZINC000616616457 348534866 /nfs/dbraw/zinc/53/48/66/348534866.db2.gz PNRKPGGPWFWMGU-HNNXBMFYSA-N 1 0 276.380 2.349 10 0 CEAERO CCOC(=O)c1ccc([C@H]2CCCN(CC[NH3+])C2)cc1 ZINC000616619731 348536504 /nfs/dbraw/zinc/53/65/04/348536504.db2.gz AINJLXBCLBWKLD-HNNXBMFYSA-N 1 0 276.380 2.001 10 0 CEAERO CC1CCC(Nc2nc(NN)[nH+]cc2Cl)CC1 ZINC000087905266 179516280 /nfs/dbraw/zinc/51/62/80/179516280.db2.gz HTVFQVZOPHLHLC-UHFFFAOYSA-N 1 0 255.753 2.406 10 0 CEAERO COc1cccc(F)c1C(=O)N1[C@H](C)CCC[C@@H]1C[NH3+] ZINC000088081132 179546136 /nfs/dbraw/zinc/54/61/36/179546136.db2.gz NTJUARLHGYEFOP-GHMZBOCLSA-N 1 0 280.343 2.176 10 0 CEAERO CCC[NH2+][C@@H](CCc1ccc(OC)cc1)[C@H]1COCCO1 ZINC000088105727 179550051 /nfs/dbraw/zinc/55/00/51/179550051.db2.gz LIZZNQIHQPKSIL-DLBZAZTESA-N 1 0 293.407 2.411 10 0 CEAERO CC(C)[C@@H](NC(=O)C1([NH3+])CC1)c1ccc(F)cc1 ZINC000088129911 179553916 /nfs/dbraw/zinc/55/39/16/179553916.db2.gz HJWHGWBGCZUEQA-GFCCVEGCSA-N 1 0 250.317 2.130 10 0 CEAERO CC[NH2+][C@@H]1CCCc2c(OCCS(C)(=O)=O)cccc21 ZINC000088152056 179557963 /nfs/dbraw/zinc/55/79/63/179557963.db2.gz NZRCLAKZKCFIQC-CQSZACIVSA-N 1 0 297.420 2.097 10 0 CEAERO CC(C)c1nsc(N2CCC[C@@H](CC[NH3+])C2)n1 ZINC000087642766 539653233 /nfs/dbraw/zinc/65/32/33/539653233.db2.gz IXRVULBEALLIRP-JTQLQIEISA-N 1 0 254.403 2.227 10 0 CEAERO c1n[nH]cc1[C@H]1CC[N@H+](Cc2ccccc2)CCO1 ZINC000616664012 348554558 /nfs/dbraw/zinc/55/45/58/348554558.db2.gz ZUESGHBAAMEVHU-OAHLLOKOSA-N 1 0 257.337 2.373 10 0 CEAERO Nc1cccc([C@H]2c3ccccc3CCN2CC[NH3+])c1 ZINC000616678208 348558168 /nfs/dbraw/zinc/55/81/68/348558168.db2.gz BSSLYRHONUQYNH-KRWDZBQOSA-N 1 0 267.376 2.175 10 0 CEAERO OCC[N@@H+]1CCc2ccccc2[C@H]1c1ccccn1 ZINC000616679754 348558993 /nfs/dbraw/zinc/55/89/93/348558993.db2.gz WRFYPBUPPNZYFW-INIZCTEOSA-N 1 0 254.333 2.021 10 0 CEAERO Nc1ccc([C@@H]2CNc3ccccc3N2CC[NH3+])cc1 ZINC000616686754 348560827 /nfs/dbraw/zinc/56/08/27/348560827.db2.gz RPOKMSRLBCZLFB-INIZCTEOSA-N 1 0 268.364 2.201 10 0 CEAERO CC[C@]1(C)CN(CCOc2ccccc2OC)CC[NH2+]1 ZINC000088415475 179595019 /nfs/dbraw/zinc/59/50/19/179595019.db2.gz IAXIGLIIUVUGPQ-MRXNPFEDSA-N 1 0 278.396 2.148 10 0 CEAERO CCOc1ccccc1OCC[C@](C)(C[NH3+])[C@H](C)O ZINC000088415949 179596475 /nfs/dbraw/zinc/59/64/75/179596475.db2.gz JIFFGBYAOQPQNT-SWLSCSKDSA-N 1 0 267.369 2.200 10 0 CEAERO Cc1cc(F)ccc1NC(=O)[C@@H]1C[NH2+]C[C@H](C)C1 ZINC000088449653 179605829 /nfs/dbraw/zinc/60/58/29/179605829.db2.gz CKEIPPHPLUXOGF-KOLCDFICSA-N 1 0 250.317 2.318 10 0 CEAERO C[C@@H]([NH2+]CC(C1CC1)C1CC1)C(=O)N1CCCC1 ZINC000088458444 179608169 /nfs/dbraw/zinc/60/81/69/179608169.db2.gz OWQCJGQQSLBAMR-LLVKDONJSA-N 1 0 250.386 2.023 10 0 CEAERO CC(C)[NH2+]C[C@H](O)CN1CCCCc2ccccc21 ZINC000088333320 179578845 /nfs/dbraw/zinc/57/88/45/179578845.db2.gz XIFXZMZOCPIAPQ-HNNXBMFYSA-N 1 0 262.397 2.188 10 0 CEAERO C[C@H](c1cnn(C)c1)N1CC[NH2+]CC12CCCCC2 ZINC000088395577 179590090 /nfs/dbraw/zinc/59/00/90/179590090.db2.gz WHEWRWSGORWIKT-CYBMUJFWSA-N 1 0 262.401 2.089 10 0 CEAERO CCCC[C@H](C)[NH2+]Cc1ccc(S(=O)(=O)N(C)C)o1 ZINC000088540629 179619772 /nfs/dbraw/zinc/61/97/72/179619772.db2.gz WWRJLICGGYUOTE-NSHDSACASA-N 1 0 288.413 2.198 10 0 CEAERO CCOC(=O)C[C@H]([NH2+]C)c1cccc(COC)c1 ZINC000088556062 179622978 /nfs/dbraw/zinc/62/29/78/179622978.db2.gz FXBCOHKFTDXMLR-ZDUSSCGKSA-N 1 0 251.326 2.047 10 0 CEAERO CCC1(CC)CN(Cc2ncnn2C)[C@@H](CC(C)C)C[NH2+]1 ZINC000088584114 179630725 /nfs/dbraw/zinc/63/07/25/179630725.db2.gz RDRCPEJIVJGVBL-AWEZNQCLSA-N 1 0 293.459 2.194 10 0 CEAERO CCCn1ncnc1C[C@@H]1CCCC[C@H]1[NH2+]CC ZINC000088597641 179633353 /nfs/dbraw/zinc/63/33/53/179633353.db2.gz TZJKNIUFXHYQJV-QWHCGFSZSA-N 1 0 250.390 2.399 10 0 CEAERO C[NH2+]Cc1ncnn1Cc1c(Cl)cccc1Cl ZINC000088628681 179644031 /nfs/dbraw/zinc/64/40/31/179644031.db2.gz MXJXYSDEZWVRRL-UHFFFAOYSA-N 1 0 271.151 2.353 10 0 CEAERO CC[C@@]1(C)C[NH2+]CCN1Cc1ccncc1Cl ZINC000088791332 179672508 /nfs/dbraw/zinc/67/25/08/179672508.db2.gz FMOFSBLGDLVILV-ZDUSSCGKSA-N 1 0 253.777 2.309 10 0 CEAERO CC[NH+](CC)CCSc1cc2c(cc1N)OCCO2 ZINC000088733685 179660837 /nfs/dbraw/zinc/66/08/37/179660837.db2.gz KFOJANYCZRFFLJ-UHFFFAOYSA-N 1 0 282.409 2.474 10 0 CEAERO CCCCNS(=O)(=O)c1ccsc1C[NH2+]C(C)C ZINC000088983489 179690072 /nfs/dbraw/zinc/69/00/72/179690072.db2.gz CIBUBGOGKQHKIW-UHFFFAOYSA-N 1 0 290.454 2.325 10 0 CEAERO [NH3+]CCc1nnc(-c2c(F)c(F)c(F)c(F)c2F)s1 ZINC000088811203 179676266 /nfs/dbraw/zinc/67/62/66/179676266.db2.gz HKWQPQYNYOGEON-UHFFFAOYSA-N 1 0 295.236 2.402 10 0 CEAERO CCCOCCOC(=O)Nc1cccc(C[NH3+])c1 ZINC000104235010 185938708 /nfs/dbraw/zinc/93/87/08/185938708.db2.gz DZBGWIZTBPUCRA-UHFFFAOYSA-N 1 0 252.314 2.120 10 0 CEAERO COc1ccccc1NC(=O)C[NH2+]C1(C(C)C)CC1 ZINC000339506721 215217975 /nfs/dbraw/zinc/21/79/75/215217975.db2.gz NSLRYCDIFWILET-UHFFFAOYSA-N 1 0 262.353 2.412 10 0 CEAERO CN(C(=O)c1cccc(OC(F)F)c1)[C@H]1CCC[C@H]1C[NH3+] ZINC000089110873 179705934 /nfs/dbraw/zinc/70/59/34/179705934.db2.gz JMAZMQPBIHSUTH-AAEUAGOBSA-N 1 0 298.333 2.487 10 0 CEAERO CNC(=O)c1ccc(N[C@@H]2CCCC[C@H]2C[NH3+])c(C)c1 ZINC000089144004 179721258 /nfs/dbraw/zinc/72/12/58/179721258.db2.gz HDXIGKBYNCGVGE-DZGCQCFKSA-N 1 0 275.396 2.284 10 0 CEAERO CCN(C(=O)Cc1cccc(F)c1)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089114342 179708026 /nfs/dbraw/zinc/70/80/26/179708026.db2.gz WOZQMNWMUBHDCE-DZGCQCFKSA-N 1 0 278.371 2.344 10 0 CEAERO CCN(C(=O)c1cccc(F)c1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089114100 179708410 /nfs/dbraw/zinc/70/84/10/179708410.db2.gz XWKJOUKFBCVLFL-TZMCWYRMSA-N 1 0 264.344 2.415 10 0 CEAERO COc1cccc(F)c1C(=O)N(C)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089118393 179710858 /nfs/dbraw/zinc/71/08/58/179710858.db2.gz PIIOAIOOUXACOW-WCQYABFASA-N 1 0 294.370 2.424 10 0 CEAERO CN(C(=O)Cc1ccsc1)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089118870 179711266 /nfs/dbraw/zinc/71/12/66/179711266.db2.gz SBWUVIHCJIYBQJ-QWHCGFSZSA-N 1 0 266.410 2.267 10 0 CEAERO CC(=O)N(C)Cc1ccccc1N[C@H]1CCC[C@H]1C[NH3+] ZINC000089148729 179724721 /nfs/dbraw/zinc/72/47/21/179724721.db2.gz QUFWQWNOWYXZPG-ZFWWWQNUSA-N 1 0 275.396 2.204 10 0 CEAERO COc1ccc(NC(C)=O)cc1N[C@H]1CCC[C@H]1C[NH3+] ZINC000089148969 179724999 /nfs/dbraw/zinc/72/49/99/179724999.db2.gz VJDSNCJRJSNULF-AAEUAGOBSA-N 1 0 277.368 2.193 10 0 CEAERO COC(=O)c1cc(F)ccc1N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089149424 179725116 /nfs/dbraw/zinc/72/51/16/179725116.db2.gz PSSYWPMEXGFJBQ-BXKDBHETSA-N 1 0 266.316 2.152 10 0 CEAERO CC[NH2+][C@@H](Cc1nn(C)c2ccccc12)[C@H]1CCCO1 ZINC000089178105 179742712 /nfs/dbraw/zinc/74/27/12/179742712.db2.gz XSHZUXUWJMBENU-GOEBONIOSA-N 1 0 273.380 2.273 10 0 CEAERO CC[NH2+][C@H](C)[C@H]1CCCCN1Cc1cc(C)nn1C ZINC000089180677 179744832 /nfs/dbraw/zinc/74/48/32/179744832.db2.gz MGEMOKNRLFPAHU-UKRRQHHQSA-N 1 0 264.417 2.081 10 0 CEAERO CCOc1ccc(OCC[N@@H+]2C[C@H](C)C[C@@H](O)C2)cc1 ZINC000401494166 233182393 /nfs/dbraw/zinc/18/23/93/233182393.db2.gz ISJNVKSXWSUJMZ-ZIAGYGMSSA-N 1 0 279.380 2.167 10 0 CEAERO CCC[NH2+][C@@H](Cc1cc(C)nn1C)Cc1ccncc1 ZINC000089194204 179749879 /nfs/dbraw/zinc/74/98/79/179749879.db2.gz XLGSGGSEGZCAAM-OAHLLOKOSA-N 1 0 272.396 2.277 10 0 CEAERO CCc1cc(C[C@@H]([NH3+])[C@H]2Cc3ccccc32)n(C)n1 ZINC000089198504 179751685 /nfs/dbraw/zinc/75/16/85/179751685.db2.gz MMZDSIUAYKGKJL-JKSUJKDBSA-N 1 0 255.365 2.192 10 0 CEAERO CC(=O)Nc1ccc(C)c(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089451444 539715875 /nfs/dbraw/zinc/71/58/75/539715875.db2.gz ZELBBMIJGHVHSJ-OCCSQVGLSA-N 1 0 289.379 2.267 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000089453121 539716588 /nfs/dbraw/zinc/71/65/88/539716588.db2.gz RATBLJKSIAALJW-LOPNKKAKSA-N 1 0 276.424 2.302 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1ccccc1-n1cccn1 ZINC000089452613 539717085 /nfs/dbraw/zinc/71/70/85/539717085.db2.gz RVOLZDZISSCDFS-OLZOCXBDSA-N 1 0 284.363 2.186 10 0 CEAERO Cc1ccccc1C[C@H](C)NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089454780 539717342 /nfs/dbraw/zinc/71/73/42/539717342.db2.gz OJRKNKDPODPFPI-IMJJTQAJSA-N 1 0 274.408 2.417 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCCSc1ccccc1 ZINC000089458064 539717427 /nfs/dbraw/zinc/71/74/27/539717427.db2.gz CYTLNZFJXKSMJM-JSGCOSHPSA-N 1 0 278.421 2.270 10 0 CEAERO CCc1cc(CN2CC[NH2+]C[C@H]2c2ccccc2)n(C)n1 ZINC000089208630 179754537 /nfs/dbraw/zinc/75/45/37/179754537.db2.gz DQCCIKJEYZLXOW-KRWDZBQOSA-N 1 0 284.407 2.129 10 0 CEAERO CCC[C@H]1CN(Cc2cc(CC)nn2C)[C@H](C2CC2)C[NH2+]1 ZINC000089209118 179754783 /nfs/dbraw/zinc/75/47/83/179754783.db2.gz GDCQBLORISBENV-RDJZCZTQSA-N 1 0 290.455 2.335 10 0 CEAERO Cc1cc(CN2C[C@@H](CC(C)C)[NH2+]CC2(C)C)n(C)n1 ZINC000089210162 179754962 /nfs/dbraw/zinc/75/49/62/179754962.db2.gz QBFUMEAROVYJFG-CQSZACIVSA-N 1 0 278.444 2.327 10 0 CEAERO CCc1cc(CN2CC(CC)(CC)[NH2+]C[C@@H]2C)n(C)n1 ZINC000089210844 179755879 /nfs/dbraw/zinc/75/58/79/179755879.db2.gz BRILVQBBFZFISO-ZDUSSCGKSA-N 1 0 278.444 2.335 10 0 CEAERO CN(C(=O)[C@H]1CCC[C@@H]1C[NH3+])c1ccc(F)cc1 ZINC000089461168 539718839 /nfs/dbraw/zinc/71/88/39/539718839.db2.gz RBSGSBMXXYDBOX-MFKMUULPSA-N 1 0 250.317 2.164 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1nc(C2CC2)cs1 ZINC000089460518 539718888 /nfs/dbraw/zinc/71/88/88/539718888.db2.gz IYNRQWCKRLMKGS-ZJUUUORDSA-N 1 0 265.382 2.334 10 0 CEAERO COc1cc(F)ccc1NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089460651 539718936 /nfs/dbraw/zinc/71/89/36/539718936.db2.gz HTWQXLVKGIRHSP-ONGXEEELSA-N 1 0 266.316 2.148 10 0 CEAERO CCc1nn(CC)c(CC2(C[NH3+])CCOCC2)c1Cl ZINC000089378445 179774921 /nfs/dbraw/zinc/77/49/21/179774921.db2.gz NUUFXMMGZWVBPQ-UHFFFAOYSA-N 1 0 285.819 2.417 10 0 CEAERO CCc1nn(C)c(C[C@H](Cc2ccncc2)[NH2+]C)c1Cl ZINC000089328027 179770140 /nfs/dbraw/zinc/77/01/40/179770140.db2.gz WDIOXUTXPACNNY-LBPRGKRZSA-N 1 0 292.814 2.404 10 0 CEAERO CCc1nn(CC)c(C[C@@](C)([NH3+])CCOC)c1Cl ZINC000089356023 179772593 /nfs/dbraw/zinc/77/25/93/179772593.db2.gz BPFOGJJKIAEEMK-ZDUSSCGKSA-N 1 0 273.808 2.415 10 0 CEAERO Cc1nc(CN2CC(C)(C)[NH2+]CC2(C)C)cs1 ZINC000089270532 179763399 /nfs/dbraw/zinc/76/33/99/179763399.db2.gz UFMXTGPERCJMSI-UHFFFAOYSA-N 1 0 253.415 2.414 10 0 CEAERO CCn1nc(C)c(Cl)c1COC[C@@H]1CCC[NH2+]C1 ZINC000089280094 179764838 /nfs/dbraw/zinc/76/48/38/179764838.db2.gz QSXJCFYUQJTNOY-LLVKDONJSA-N 1 0 271.792 2.381 10 0 CEAERO Cc1cccc(CNC(=O)[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000089390372 179778812 /nfs/dbraw/zinc/77/88/12/179778812.db2.gz VJUCIYOVJPDOQA-CABCVRRESA-N 1 0 260.381 2.376 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1ccc(F)c(F)c1 ZINC000089449404 179791762 /nfs/dbraw/zinc/79/17/62/179791762.db2.gz QFIAWUAIGOUVSQ-WCBMZHEXSA-N 1 0 254.280 2.278 10 0 CEAERO Cc1cccc(OCCN(C)C(=O)[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000089457158 179794746 /nfs/dbraw/zinc/79/47/46/179794746.db2.gz WEYJICKNSWKCJB-GOEBONIOSA-N 1 0 290.407 2.207 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1c1nc(C[C@@H]2CCCO2)no1 ZINC000089383377 179776381 /nfs/dbraw/zinc/77/63/81/179776381.db2.gz GEZFWAFLTYOHRU-SRVKXCTJSA-N 1 0 265.357 2.024 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1COCc1cn2ccccc2n1 ZINC000089536203 179812593 /nfs/dbraw/zinc/81/25/93/179812593.db2.gz PESIWPGZVXCUJR-CHWSQXEVSA-N 1 0 259.353 2.226 10 0 CEAERO CS(=O)(=O)c1ccc(OC[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000089537449 179812862 /nfs/dbraw/zinc/81/28/62/179812862.db2.gz PUDCWNDKTLSQMJ-OLZOCXBDSA-N 1 0 297.420 2.234 10 0 CEAERO CCc1nsc(OC[C@@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000089538149 179813635 /nfs/dbraw/zinc/81/36/35/179813635.db2.gz HSZVSDSAOSPTCS-ZJUUUORDSA-N 1 0 255.387 2.244 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@H]2CCCCC2(C)C)C1 ZINC000250323695 539728708 /nfs/dbraw/zinc/72/87/08/539728708.db2.gz NNGPHPVSSSHQQI-KBPBESRZSA-N 1 0 254.418 2.266 10 0 CEAERO Cc1ccccc1CCC(=O)NC[C@H]1CCC[C@H]1C[NH3+] ZINC000089500645 179805167 /nfs/dbraw/zinc/80/51/67/179805167.db2.gz LRVMHIRKEXGGRT-JKSUJKDBSA-N 1 0 274.408 2.419 10 0 CEAERO CCS(=O)(=O)c1ccccc1NC[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089501384 179805639 /nfs/dbraw/zinc/80/56/39/179805639.db2.gz CYDREHOWDUMVEO-OLZOCXBDSA-N 1 0 296.436 2.267 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1CNC(=O)CCOc1ccccc1 ZINC000089530215 179810630 /nfs/dbraw/zinc/81/06/30/179810630.db2.gz JLLIEZRMNSVLMH-LSDHHAIUSA-N 1 0 290.407 2.337 10 0 CEAERO O=C(C[C@H]1CC[NH2+]C1)Nc1cc(F)cc(F)c1F ZINC000089747863 179859143 /nfs/dbraw/zinc/85/91/43/179859143.db2.gz MZCJHIOEJHSZEJ-SSDOTTSWSA-N 1 0 258.243 2.042 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(C)cc1OCC(=O)OC ZINC000104335299 185973521 /nfs/dbraw/zinc/97/35/21/185973521.db2.gz WMKRLEOAMJTRBW-LLVKDONJSA-N 1 0 251.326 2.217 10 0 CEAERO C[C@H]1CN(C(=O)c2cc(F)c(F)c(F)c2)C[C@H]1[NH+](C)C ZINC000089710113 179850980 /nfs/dbraw/zinc/85/09/80/179850980.db2.gz GJSWYUKDUFOKHO-QPUJVOFHSA-N 1 0 286.297 2.126 10 0 CEAERO c1ccc2nc(-c3noc(C[C@@H]4CC[NH2+]C4)n3)ccc2c1 ZINC000089713662 179852079 /nfs/dbraw/zinc/85/20/79/179852079.db2.gz VZTVGXFYZKZBDP-NSHDSACASA-N 1 0 280.331 2.437 10 0 CEAERO CC(C)(C)n1c(C[C@H]2CC[NH2+]C2)nc2cnccc21 ZINC000089713284 179852400 /nfs/dbraw/zinc/85/24/00/179852400.db2.gz MQWBWSQBQPUFQU-LLVKDONJSA-N 1 0 258.369 2.338 10 0 CEAERO CCn1nc(C)cc1C(=O)N(CCC[NH3+])c1ccccc1 ZINC000090122380 179917269 /nfs/dbraw/zinc/91/72/69/179917269.db2.gz ZQFGGPVCVSYBEA-UHFFFAOYSA-N 1 0 286.379 2.207 10 0 CEAERO COC(=O)[C@@H](C[NH2+]C[C@](C)(O)CC(C)C)c1ccccc1 ZINC000090271945 179944746 /nfs/dbraw/zinc/94/47/46/179944746.db2.gz IWBMLPSITKLHSW-DOTOQJQBSA-N 1 0 293.407 2.330 10 0 CEAERO CCN(C(=O)Cc1cccc2ccccc21)C1C[NH2+]C1 ZINC000090291206 179951339 /nfs/dbraw/zinc/95/13/39/179951339.db2.gz UYGCYUOLANYJSQ-UHFFFAOYSA-N 1 0 268.360 2.203 10 0 CEAERO CCN(CCCC(=O)Nc1cccc(C)c1)C1C[NH2+]C1 ZINC000090291918 179951599 /nfs/dbraw/zinc/95/15/99/179951599.db2.gz DYFDNLLWXCJJLZ-UHFFFAOYSA-N 1 0 275.396 2.007 10 0 CEAERO COC(C[C@](C)(C[NH3+])N(C)c1ccc(C)cc1C)OC ZINC000090265960 179941962 /nfs/dbraw/zinc/94/19/62/179941962.db2.gz SGEWOMWOMKRBFN-MRXNPFEDSA-N 1 0 280.412 2.466 10 0 CEAERO COC(C[C@](C)(C[NH3+])N(C)c1ccccc1C)OC ZINC000090265964 179942830 /nfs/dbraw/zinc/94/28/30/179942830.db2.gz BHPWPWZNWOWNOU-OAHLLOKOSA-N 1 0 266.385 2.158 10 0 CEAERO Cc1ccc(C(=O)N2C[C@@H]3C[NH2+]C[C@H]3C2(C)C)cc1C ZINC000090336365 179965104 /nfs/dbraw/zinc/96/51/04/179965104.db2.gz GMHNFAFDQGYDRD-LSDHHAIUSA-N 1 0 272.392 2.373 10 0 CEAERO CC1(C)[C@H]2C[NH2+]C[C@@H]2CN1C(=O)Cc1cccc(Cl)c1 ZINC000090335976 179965155 /nfs/dbraw/zinc/96/51/55/179965155.db2.gz XWPIZLAGXPDRBR-OCCSQVGLSA-N 1 0 292.810 2.339 10 0 CEAERO Cc1ccc(C(=O)N2C[C@@H]3C[NH2+]C[C@H]3C2(C)C)s1 ZINC000090336616 179966001 /nfs/dbraw/zinc/96/60/01/179966001.db2.gz ZZYWAKHEHBZSJC-WDEREUQCSA-N 1 0 264.394 2.127 10 0 CEAERO CC(C)c1cc(NC(=O)CSCC[C@@H](C)[NH3+])on1 ZINC000090346238 179970725 /nfs/dbraw/zinc/97/07/25/179970725.db2.gz ZYZKPFRZYKXCOP-SECBINFHSA-N 1 0 271.386 2.207 10 0 CEAERO C[C@@H](C[NH3+])CSCCC(=O)NC1CCCCC1 ZINC000090350126 179972255 /nfs/dbraw/zinc/97/22/55/179972255.db2.gz DKGIMOPYKNFOFT-NSHDSACASA-N 1 0 258.431 2.153 10 0 CEAERO CC[C@H]([NH3+])CSC[C@H](C(=O)OC)c1ccccc1 ZINC000090355216 179974076 /nfs/dbraw/zinc/97/40/76/179974076.db2.gz ZVHIJEMPYNSWFK-STQMWFEESA-N 1 0 267.394 2.414 10 0 CEAERO CC[C@H]([NH3+])CSCC(=O)NC1CCC(C)CC1 ZINC000090356684 179975008 /nfs/dbraw/zinc/97/50/08/179975008.db2.gz NJVGAJTWFJKLHE-CXQJBGSLSA-N 1 0 258.431 2.152 10 0 CEAERO CC[C@H]([NH3+])CSCC(=O)N[C@@H](C)c1cccs1 ZINC000090356562 179975084 /nfs/dbraw/zinc/97/50/84/179975084.db2.gz UXOHUWLZDUFUOL-UWVGGRQHSA-N 1 0 272.439 2.396 10 0 CEAERO CCOc1ccc(NC(=O)CSC[C@H]([NH3+])CC)cc1 ZINC000090357157 179975852 /nfs/dbraw/zinc/97/58/52/179975852.db2.gz XUVKDCMYEAIONQ-LLVKDONJSA-N 1 0 282.409 2.494 10 0 CEAERO CN1C[C@@H](C[NH2+]Cc2ccsc2C(F)(F)F)CC1=O ZINC000623571127 350054265 /nfs/dbraw/zinc/05/42/65/350054265.db2.gz NKMDXIXIYMMVTQ-MRVPVSSYSA-N 1 0 292.326 2.335 10 0 CEAERO OCC1CC([NH2+]Cc2ccsc2Br)C1 ZINC000623575155 350055292 /nfs/dbraw/zinc/05/52/92/350055292.db2.gz NEZJIZOLBLAIPE-UHFFFAOYSA-N 1 0 276.199 2.371 10 0 CEAERO C[NH2+][C@@H]1COC[C@@H]1c1nc(Cc2ccccc2Cl)no1 ZINC000090423627 179983687 /nfs/dbraw/zinc/98/36/87/179983687.db2.gz YYTMWYKTDSDPGB-CMPLNLGQSA-N 1 0 293.754 2.016 10 0 CEAERO CC[NH2+][C@H]1COC[C@@H]1c1nc2cccnc2n1C(C)C ZINC000090472943 179989944 /nfs/dbraw/zinc/98/99/44/179989944.db2.gz AETDURGOARVFGK-AAEUAGOBSA-N 1 0 274.368 2.104 10 0 CEAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000623763772 350105723 /nfs/dbraw/zinc/10/57/23/350105723.db2.gz OOHKWVOKQYYCDH-RYUDHWBXSA-N 1 0 276.163 2.233 10 0 CEAERO CCCOc1cccc(NC(=O)[C@H]2COC[C@@H]2[NH2+]CC)c1 ZINC000090489291 179992414 /nfs/dbraw/zinc/99/24/14/179992414.db2.gz VDEBNPJHZNRNIP-GJZGRUSLSA-N 1 0 292.379 2.038 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc(F)cc1C ZINC000090539108 180000294 /nfs/dbraw/zinc/00/02/94/180000294.db2.gz AGULAXIDYGJPGB-OCCSQVGLSA-N 1 0 280.343 2.087 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1cccc(CC)c1 ZINC000090539126 180000515 /nfs/dbraw/zinc/00/05/15/180000515.db2.gz QHJWMZCGORQABE-LSDHHAIUSA-N 1 0 276.380 2.202 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1CN(C)Cc1ccccc1OC ZINC000090566336 180005486 /nfs/dbraw/zinc/00/54/86/180005486.db2.gz TXKITIUIIAFRRV-JKSUJKDBSA-N 1 0 292.423 2.142 10 0 CEAERO CCn1c2c(cccc2Cl)nc1[C@]1(C)COC[C@@H]1[NH3+] ZINC000090571808 180007374 /nfs/dbraw/zinc/00/73/74/180007374.db2.gz ZACLHVZYAALOEP-SMDDNHRTSA-N 1 0 279.771 2.325 10 0 CEAERO C[C@@]1(c2nc(C3CCCCCC3)no2)COC[C@H]1[NH3+] ZINC000090574165 180008483 /nfs/dbraw/zinc/00/84/83/180008483.db2.gz MTXHZTBAOKLVGT-BXUZGUMPSA-N 1 0 265.357 2.123 10 0 CEAERO CCCN(Cc1ccc(C)cc1)C(=O)[C@@]1(C)COC[C@H]1[NH3+] ZINC000090590696 180010125 /nfs/dbraw/zinc/01/01/25/180010125.db2.gz ABPPINMUDJTBID-WBVHZDCISA-N 1 0 290.407 2.097 10 0 CEAERO CC(C)[N@H+](Cc1ccccc1)C[C@]1(C)COC[C@@H]1N ZINC000090606318 180011496 /nfs/dbraw/zinc/01/14/96/180011496.db2.gz NKRYCWAGBOULFQ-JKSUJKDBSA-N 1 0 262.397 2.261 10 0 CEAERO C[C@@]1(CN2CCCCc3ccccc32)COC[C@@H]1[NH3+] ZINC000090621366 180013767 /nfs/dbraw/zinc/01/37/67/180013767.db2.gz ZGBIXWJCEPAWTP-JKSUJKDBSA-N 1 0 260.381 2.193 10 0 CEAERO COC(C[C@H](C[NH3+])Nc1cccc(Cl)c1)OC ZINC000090625437 180015593 /nfs/dbraw/zinc/01/55/93/180015593.db2.gz YBXOKCMNQXPXSR-LLVKDONJSA-N 1 0 258.749 2.088 10 0 CEAERO Cn1ncc2c1CCC[C@H]2[NH2+]CCc1cscn1 ZINC000104438896 186002692 /nfs/dbraw/zinc/00/26/92/186002692.db2.gz DCPDSDDHVIJFOA-GFCCVEGCSA-N 1 0 262.382 2.086 10 0 CEAERO C[C@@H](OCC(=O)Nc1ccc(C[NH3+])cc1)C(F)(F)F ZINC000090671985 180021025 /nfs/dbraw/zinc/02/10/25/180021025.db2.gz GWJOPYVWNDZUBV-MRVPVSSYSA-N 1 0 276.258 2.051 10 0 CEAERO CCC[NH2+][C@@](C)(CCCCO[C@H](C)C(F)(F)F)C(N)=O ZINC000090674198 180021670 /nfs/dbraw/zinc/02/16/70/180021670.db2.gz RHGOYFOTEXLRSM-PWSUYJOCSA-N 1 0 298.349 2.368 10 0 CEAERO C[C@H](C[NH2+]C[C@H]1CCCO1)O[C@@H](C)C(F)(F)F ZINC000090675835 180022579 /nfs/dbraw/zinc/02/25/79/180022579.db2.gz MPBNBNRKAICVKG-KXUCPTDWSA-N 1 0 255.280 2.111 10 0 CEAERO Cc1cnc(N[C@H](CC(C)C)C[NH+](C)C)c(N)c1 ZINC000090691015 180024545 /nfs/dbraw/zinc/02/45/45/180024545.db2.gz CMARKWLLWMWEEI-GFCCVEGCSA-N 1 0 250.390 2.360 10 0 CEAERO C[C@@H]1CC[NH2+]C[C@@H]1N1CCC[C@H](C(F)(F)F)C1 ZINC000090695697 180026469 /nfs/dbraw/zinc/02/64/69/180026469.db2.gz NQJGXWBVCWXGMI-VWYCJHECSA-N 1 0 250.308 2.259 10 0 CEAERO CC(C)(C)[NH2+]C[C@H]1CCN(CCc2cscn2)C1 ZINC000104441279 186002905 /nfs/dbraw/zinc/00/29/05/186002905.db2.gz YMILBFXBPRRJAQ-GFCCVEGCSA-N 1 0 267.442 2.396 10 0 CEAERO C[NH+](C)C[C@H]1CSCCCN1C(=O)CC1CCCC1 ZINC000090699783 180027864 /nfs/dbraw/zinc/02/78/64/180027864.db2.gz FWUHAGXZMJJBAB-AWEZNQCLSA-N 1 0 284.469 2.462 10 0 CEAERO CS[C@@H](C)C[NH2+][C@@H]1CCCc2[nH]c(=O)ccc21 ZINC000090725944 180033000 /nfs/dbraw/zinc/03/30/00/180033000.db2.gz JBJQREBGAUQPMQ-GXSJLCMTSA-N 1 0 252.383 2.093 10 0 CEAERO COC(=O)c1cc(NC[C@H](C)C[NH+]2CCCC2)ccn1 ZINC000090738112 180034159 /nfs/dbraw/zinc/03/41/59/180034159.db2.gz AHTBDNKZQVFBQL-LBPRGKRZSA-N 1 0 277.368 2.012 10 0 CEAERO [NH3+][C@H](CNc1ncncc1Br)c1ccccc1 ZINC000090781654 180038952 /nfs/dbraw/zinc/03/89/52/180038952.db2.gz QLHPRRDPAZNKBO-LLVKDONJSA-N 1 0 293.168 2.351 10 0 CEAERO [NH3+]C[C@H](Nc1ncncc1Br)c1ccccc1 ZINC000090783159 180039288 /nfs/dbraw/zinc/03/92/88/180039288.db2.gz NOYVOGABRLCSDB-NSHDSACASA-N 1 0 293.168 2.351 10 0 CEAERO CC(C)Oc1cc(N[C@H]2c3ccccc3C[C@H]2[NH3+])ncn1 ZINC000090786642 180040871 /nfs/dbraw/zinc/04/08/71/180040871.db2.gz DNVNOSJQHPNSCH-CJNGLKHVSA-N 1 0 284.363 2.300 10 0 CEAERO COc1ncnc(NC[C@H](C)C[NH+]2CCCCC2)c1C ZINC000090790874 180041826 /nfs/dbraw/zinc/04/18/26/180041826.db2.gz CKNLTCIMZLNKRY-LBPRGKRZSA-N 1 0 278.400 2.328 10 0 CEAERO [NH3+][C@H](CC[NH2+]CCc1cscn1)c1ccccc1 ZINC000104445026 186005419 /nfs/dbraw/zinc/00/54/19/186005419.db2.gz AQHQMFVDKGEYGJ-CQSZACIVSA-N 1 0 261.394 2.365 10 0 CEAERO C[NH2+][C@@H]1C[C@H](Oc2c(OC)cccc2OC)C1(C)C ZINC000090839358 180043722 /nfs/dbraw/zinc/04/37/22/180043722.db2.gz PGLGXYOUQAFPRF-OLZOCXBDSA-N 1 0 265.353 2.469 10 0 CEAERO COc1cccc(OC)c1O[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000090839363 180043818 /nfs/dbraw/zinc/04/38/18/180043818.db2.gz MROVKAWQRMEXLO-NEPJUHHUSA-N 1 0 251.326 2.208 10 0 CEAERO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@H](C)[S@](C)=O ZINC000090841542 180043871 /nfs/dbraw/zinc/04/38/71/180043871.db2.gz VRMBFNWPMFODPD-FKANQGBASA-N 1 0 297.420 2.093 10 0 CEAERO Cc1ccccc1[C@H](CN)[N@H+](C)CC1CCOCC1 ZINC000104449636 186005886 /nfs/dbraw/zinc/00/58/86/186005886.db2.gz FTAQHEPNGOJVBU-INIZCTEOSA-N 1 0 262.397 2.353 10 0 CEAERO COc1cc(OC)cc(O[C@@H]2C[C@H]([NH3+])C2(C)C)c1 ZINC000090861685 180047154 /nfs/dbraw/zinc/04/71/54/180047154.db2.gz BVJPEOXELNVGBW-QWHCGFSZSA-N 1 0 251.326 2.208 10 0 CEAERO CS(=O)(=O)c1ccc(O[C@H]2C[C@@H]([NH3+])C23CCCC3)cc1 ZINC000090861985 180047163 /nfs/dbraw/zinc/04/71/63/180047163.db2.gz WWIAFZUPMMUSCC-KGLIPLIRSA-N 1 0 295.404 2.129 10 0 CEAERO CCCCNC(=O)CSc1cccc(C[NH3+])c1 ZINC000090870331 180049397 /nfs/dbraw/zinc/04/93/97/180049397.db2.gz HUQFMNGRKQQISW-UHFFFAOYSA-N 1 0 252.383 2.154 10 0 CEAERO COc1ncccc1C[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000090874320 180050049 /nfs/dbraw/zinc/05/00/49/180050049.db2.gz AGMHWQDSLNGBNI-CQSZACIVSA-N 1 0 270.332 2.184 10 0 CEAERO CCOC(=O)[C@H](C)Sc1cccc(C[NH2+]CCOC)c1 ZINC000090873256 180050120 /nfs/dbraw/zinc/05/01/20/180050120.db2.gz ORYCTRRFRLNLSN-LBPRGKRZSA-N 1 0 297.420 2.466 10 0 CEAERO CCNC(=O)[C@@H](C)Sc1cccc(C[NH2+]CCOC)c1 ZINC000090873099 180050205 /nfs/dbraw/zinc/05/02/05/180050205.db2.gz ZXEVKDCPELQTSE-GFCCVEGCSA-N 1 0 296.436 2.039 10 0 CEAERO CCCN(C[C@H]1Cc2ccccc2O1)C(C)(C)C[NH3+] ZINC000090874042 180050257 /nfs/dbraw/zinc/05/02/57/180050257.db2.gz HNAYYVGFIALRSL-CQSZACIVSA-N 1 0 262.397 2.439 10 0 CEAERO CCCN(C[C@H]1Cc2ccccc2O1)[C@@H]1CCC[NH2+]C1 ZINC000090876259 180050642 /nfs/dbraw/zinc/05/06/42/180050642.db2.gz OKVYRQGZUKYGQE-HZPDHXFCSA-N 1 0 274.408 2.454 10 0 CEAERO OC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000090874621 180051058 /nfs/dbraw/zinc/05/10/58/180051058.db2.gz NOHUFQSHLPUCNN-SJORKVTESA-N 1 0 283.371 2.183 10 0 CEAERO CC[C@H](C)NC(=O)CC[NH2+]C[C@H]1Cc2cc(F)ccc2O1 ZINC000090892252 180053829 /nfs/dbraw/zinc/05/38/29/180053829.db2.gz XGLUVYRKODHJLV-SMDDNHRTSA-N 1 0 294.370 2.024 10 0 CEAERO C[C@@H](Cn1ccnc1)[NH2+]C[C@H]1Cc2cc(F)ccc2O1 ZINC000090892419 180054047 /nfs/dbraw/zinc/05/40/47/180054047.db2.gz UOUJEXLGVZGXBW-SMDDNHRTSA-N 1 0 275.327 2.004 10 0 CEAERO CCn1c2ccncc2nc1-c1csc(CC[NH3+])n1 ZINC000090934796 180067146 /nfs/dbraw/zinc/06/71/46/180067146.db2.gz ABBBFVSLFWIVFA-UHFFFAOYSA-N 1 0 273.365 2.076 10 0 CEAERO Fc1ccc2c(c1)C[C@@H](CN1CCC[C@@H]1C[NH2+]C1CC1)O2 ZINC000090893522 180054767 /nfs/dbraw/zinc/05/47/67/180054767.db2.gz HAASZLNSXYEGTB-CVEARBPZSA-N 1 0 290.382 2.346 10 0 CEAERO COc1cc(C[NH2+]C[C@H]2Cc3cc(F)ccc3O2)ccn1 ZINC000090892746 180054823 /nfs/dbraw/zinc/05/48/23/180054823.db2.gz WQQUQSDGJFYGIC-CQSZACIVSA-N 1 0 288.322 2.323 10 0 CEAERO CCOC(=O)CCC[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892910 180055505 /nfs/dbraw/zinc/05/55/05/180055505.db2.gz KCWZJTNCJRDMFX-ZDUSSCGKSA-N 1 0 281.327 2.062 10 0 CEAERO CC[C@H](C)[C@H]1CN(C[C@@H]2Cc3cc(F)ccc3O2)CC[NH2+]1 ZINC000090896120 180056129 /nfs/dbraw/zinc/05/61/29/180056129.db2.gz CRVKNRYMWQULJB-VBNZEHGJSA-N 1 0 292.398 2.449 10 0 CEAERO CC(C)C[C@@H]1CN(C[C@@H]2Cc3cc(F)ccc3O2)CC[NH2+]1 ZINC000090896105 180056333 /nfs/dbraw/zinc/05/63/33/180056333.db2.gz GDHQPRBOYMRDNW-CVEARBPZSA-N 1 0 292.398 2.449 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[NH2+]Cc1ccnc(C)n1)O2 ZINC000090897492 180057442 /nfs/dbraw/zinc/05/74/42/180057442.db2.gz GQXRBPRUSSAIMQ-OAHLLOKOSA-N 1 0 269.348 2.187 10 0 CEAERO CC[C@@H]1CN(C[C@@H]2Cc3cc(F)ccc3O2)CCC[NH2+]1 ZINC000090896191 180057536 /nfs/dbraw/zinc/05/75/36/180057536.db2.gz IDNGQCITIVHOCW-CABCVRRESA-N 1 0 278.371 2.203 10 0 CEAERO Cc1ccc2c(c1)C[C@H](CN1CCCC[C@@H]1C[NH3+])O2 ZINC000090898911 180058028 /nfs/dbraw/zinc/05/80/28/180058028.db2.gz QVWJLFPACGGOOR-HUUCEWRRSA-N 1 0 260.381 2.112 10 0 CEAERO COc1ccc2nc(-c3csc([C@@H](C)[NH3+])n3)[nH]c2n1 ZINC000090934789 180067246 /nfs/dbraw/zinc/06/72/46/180067246.db2.gz CBMLEBVWBWSKLS-ZCFIWIBFSA-N 1 0 275.337 2.110 10 0 CEAERO CCOC(=O)CC[N@H+](C)C[C@H]1Cc2cc(C)ccc2O1 ZINC000090900856 180058739 /nfs/dbraw/zinc/05/87/39/180058739.db2.gz MDSQJDRJLOHROB-CQSZACIVSA-N 1 0 277.364 2.184 10 0 CEAERO OC[C@H]1CCCC[N@@H+]1C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090900908 180059195 /nfs/dbraw/zinc/05/91/95/180059195.db2.gz DLPOXDPQBWFRGG-KGLIPLIRSA-N 1 0 281.783 2.490 10 0 CEAERO COC(=O)CC[N@H+](C)C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090900857 180059292 /nfs/dbraw/zinc/05/92/92/180059292.db2.gz IPCGDDGEOWSCMB-LBPRGKRZSA-N 1 0 283.755 2.138 10 0 CEAERO Clc1ccc2c(c1)C[C@@H](C[NH2+]CCN1CCCC1)O2 ZINC000090904644 180059710 /nfs/dbraw/zinc/05/97/10/180059710.db2.gz CUYBTRUMBDUKRB-AWEZNQCLSA-N 1 0 280.799 2.329 10 0 CEAERO Clc1ccc2c(c1)C[C@@H](C[NH2+]C[C@@H]1CCCO1)O2 ZINC000090903340 180059945 /nfs/dbraw/zinc/05/99/45/180059945.db2.gz UJDGFFUSWIHTBX-STQMWFEESA-N 1 0 267.756 2.412 10 0 CEAERO OC1CC(C[NH2+]C[C@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000090905287 180060320 /nfs/dbraw/zinc/06/03/20/180060320.db2.gz DWGKCRFSBSMVDP-UTVJUBTNSA-N 1 0 267.756 2.004 10 0 CEAERO [NH3+]C[C@@H](c1cccc(Cl)c1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905569 180060382 /nfs/dbraw/zinc/06/03/82/180060382.db2.gz VNYZAUSJJBDHCS-MJBXVCDLSA-N 1 0 266.772 2.203 10 0 CEAERO Cc1cc(C)c([C@H](C[NH3+])N2C[C@H]3CC[C@@H](C2)O3)c(C)c1 ZINC000090905929 180060729 /nfs/dbraw/zinc/06/07/29/180060729.db2.gz QXPPXFDEMUOJQA-XHSDSOJGSA-N 1 0 274.408 2.475 10 0 CEAERO Cc1cc([C@H](C[NH3+])N2C[C@H]3CC[C@@H](C2)O3)c(C)s1 ZINC000090905896 180060769 /nfs/dbraw/zinc/06/07/69/180060769.db2.gz HCXYUZQZCSXAGN-SCRDCRAPSA-N 1 0 266.410 2.228 10 0 CEAERO [NH3+]C[C@]1(N2C[C@H]3CC[C@@H](C2)O3)CCCc2ccccc21 ZINC000090905910 180061322 /nfs/dbraw/zinc/06/13/22/180061322.db2.gz PCDWOUAIZYPXBV-HLLBOEOZSA-N 1 0 272.392 2.040 10 0 CEAERO C([NH2+]C1CC1)C1(CN2C[C@H]3CC[C@@H](C2)O3)CCCC1 ZINC000090907603 180062046 /nfs/dbraw/zinc/06/20/46/180062046.db2.gz SRMIWSKRQBQIKC-GASCZTMLSA-N 1 0 264.413 2.162 10 0 CEAERO c1ccc(CN2C[C@H]3CC[C@@H](C2)O3)c(C[NH2+]C2CC2)c1 ZINC000090907958 180062103 /nfs/dbraw/zinc/06/21/03/180062103.db2.gz HJTCUQGBLOKJNZ-CALCHBBNSA-N 1 0 272.392 2.302 10 0 CEAERO Cc1oc(C[NH2+]C(C)C)cc1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000090907900 180062302 /nfs/dbraw/zinc/06/23/02/180062302.db2.gz GIJWLYSDELFCBW-GASCZTMLSA-N 1 0 278.396 2.449 10 0 CEAERO Cc1ccnc2[nH]c(-c3csc([C@@H](C)[NH3+])n3)nc21 ZINC000090934776 180067402 /nfs/dbraw/zinc/06/74/02/180067402.db2.gz HTZSKOHNJSEDLE-SSDOTTSWSA-N 1 0 259.338 2.410 10 0 CEAERO C[C@@H](NC(=O)c1csc(CC[NH3+])n1)c1ccsc1 ZINC000090954032 180073968 /nfs/dbraw/zinc/07/39/68/180073968.db2.gz VVWFVLCTLXCENI-MRVPVSSYSA-N 1 0 281.406 2.197 10 0 CEAERO Nc1ccsc1C[NH2+][C@H]1CCC[C@@H]1n1ccnc1 ZINC000090959941 180075620 /nfs/dbraw/zinc/07/56/20/180075620.db2.gz CCPXZYYZRGBFKY-RYUDHWBXSA-N 1 0 262.382 2.410 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+]CC1(O)CCCC1 ZINC000090960842 180076094 /nfs/dbraw/zinc/07/60/94/180076094.db2.gz GGWBCSNHJWAUDR-UHFFFAOYSA-N 1 0 268.382 2.101 10 0 CEAERO CC(=O)Nc1ccccc1C[NH2+][C@H](C)Cn1ccnc1 ZINC000090962083 180076464 /nfs/dbraw/zinc/07/64/64/180076464.db2.gz ONCLRWYARNPCJV-GFCCVEGCSA-N 1 0 272.352 2.020 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+]CCc1cscn1 ZINC000090960724 180076515 /nfs/dbraw/zinc/07/65/15/180076515.db2.gz PIZGJFQDGUKBJS-UHFFFAOYSA-N 1 0 281.406 2.495 10 0 CEAERO CO[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1NC(C)=O ZINC000090962518 180077313 /nfs/dbraw/zinc/07/73/13/180077313.db2.gz KOMPPPUQJDVTDZ-GJZGRUSLSA-N 1 0 262.353 2.302 10 0 CEAERO CCC[NH2+]Cc1ncnn1C[C@@H]1Cc2ccccc21 ZINC000090981602 180078813 /nfs/dbraw/zinc/07/88/13/180078813.db2.gz BTFCJAQADXVSNE-ZDUSSCGKSA-N 1 0 256.353 2.118 10 0 CEAERO COCC[NH2+]C[C@@H]1CCCCN1C[C@@H]1Cc2ccccc21 ZINC000090977545 180078922 /nfs/dbraw/zinc/07/89/22/180078922.db2.gz RDKYHHIMUBTUPU-IRXDYDNUSA-N 1 0 288.435 2.417 10 0 CEAERO C[C@H]([NH3+])c1csc(NC(=O)[C@H]2Cc3ccccc32)n1 ZINC000090983486 180080431 /nfs/dbraw/zinc/08/04/31/180080431.db2.gz YGCSKHVACXIBOT-KWQFWETISA-N 1 0 273.361 2.441 10 0 CEAERO [NH3+]C[C@@H](NC(=O)[C@H]1Cc2ccccc21)c1ccccc1 ZINC000090987172 180080941 /nfs/dbraw/zinc/08/09/41/180080941.db2.gz LLLBIANNMXJUOT-JKSUJKDBSA-N 1 0 266.344 2.143 10 0 CEAERO CC[NH2+]Cc1cn(CCC(=O)N(C)C)c2ccccc12 ZINC000090995438 180082672 /nfs/dbraw/zinc/08/26/72/180082672.db2.gz ZNJUMSMVIYTOQI-UHFFFAOYSA-N 1 0 273.380 2.229 10 0 CEAERO C[NH2+]Cc1cccn1CC(=O)Nc1cccc(Cl)c1 ZINC000090995725 180082694 /nfs/dbraw/zinc/08/26/94/180082694.db2.gz NQQUHZDLKSHWDG-UHFFFAOYSA-N 1 0 277.755 2.500 10 0 CEAERO C[NH2+]Cc1cccn1Cc1ccc(C(=O)OC)cc1 ZINC000090995711 180082764 /nfs/dbraw/zinc/08/27/64/180082764.db2.gz LOYOCORAQPCPLW-UHFFFAOYSA-N 1 0 258.321 2.042 10 0 CEAERO CCNC(=O)CCn1cc(C[NH2+]CC)c2ccccc21 ZINC000090995411 180082978 /nfs/dbraw/zinc/08/29/78/180082978.db2.gz CEUZQWROAVKSTI-UHFFFAOYSA-N 1 0 273.380 2.277 10 0 CEAERO CCc1nnc(Cn2cc(C[NH3+])c3ccccc32)o1 ZINC000090994980 180082990 /nfs/dbraw/zinc/08/29/90/180082990.db2.gz OUHGMDMRJWWHFC-UHFFFAOYSA-N 1 0 256.309 2.094 10 0 CEAERO CC(C)OC(=O)Cn1cccc1C[NH2+]C(C)(C)C ZINC000091001615 180083241 /nfs/dbraw/zinc/08/32/41/180083241.db2.gz KWQMCOJCUUXRPH-UHFFFAOYSA-N 1 0 252.358 2.328 10 0 CEAERO CCC[NH2+]Cc1cccn1CC(=O)N[C@H](C)CCC ZINC000090996105 180083475 /nfs/dbraw/zinc/08/34/75/180083475.db2.gz UHHZXHQCJVJBTR-CYBMUJFWSA-N 1 0 265.401 2.293 10 0 CEAERO CCc1nc(Cn2cccc2C[NH2+]CC(C)C)no1 ZINC000091001795 180083531 /nfs/dbraw/zinc/08/35/31/180083531.db2.gz GJLXCRRHTOXKFL-UHFFFAOYSA-N 1 0 262.357 2.227 10 0 CEAERO CCOc1ccccc1OCCn1ccc(CC[NH3+])c1 ZINC000091004884 180083960 /nfs/dbraw/zinc/08/39/60/180083960.db2.gz DHNFZOSYHJFNFN-UHFFFAOYSA-N 1 0 274.364 2.467 10 0 CEAERO CC(C)[NH2+]Cc1ccn(Cc2ncc(Cl)n2C)c1 ZINC000091003684 180083981 /nfs/dbraw/zinc/08/39/81/180083981.db2.gz AAZJIJACAFOPFM-UHFFFAOYSA-N 1 0 266.776 2.421 10 0 CEAERO CCS(=O)(=O)CCCn1ccc(C[NH2+]CC(C)C)c1 ZINC000091004551 180084067 /nfs/dbraw/zinc/08/40/67/180084067.db2.gz PRFHWFLIDOCKBI-UHFFFAOYSA-N 1 0 286.441 2.059 10 0 CEAERO Cc1nn(C)c(Cn2ccc(C[NH2+]C3CC3)c2)c1Cl ZINC000091003929 180084096 /nfs/dbraw/zinc/08/40/96/180084096.db2.gz CEDOHUDBGDWGQC-UHFFFAOYSA-N 1 0 278.787 2.484 10 0 CEAERO C[C@@H]([NH3+])Cc1ccn(Cc2nn(C)c3ccccc23)c1 ZINC000091005886 180084824 /nfs/dbraw/zinc/08/48/24/180084824.db2.gz JSQMBHVTNURCMB-GFCCVEGCSA-N 1 0 268.364 2.313 10 0 CEAERO CC(C)[NH2+]Cc1cn(Cc2ncccn2)c2ncccc12 ZINC000091020520 180087944 /nfs/dbraw/zinc/08/79/44/180087944.db2.gz XNYVUSLBCCHNQD-UHFFFAOYSA-N 1 0 281.363 2.373 10 0 CEAERO CCC[NH2+]Cc1cn(CCCCO)c2ncccc12 ZINC000091020321 180088189 /nfs/dbraw/zinc/08/81/89/180088189.db2.gz IXDPQXPJFQCISA-UHFFFAOYSA-N 1 0 261.369 2.308 10 0 CEAERO CCC[NH2+]Cc1cn(CCn2cccn2)c2ncccc12 ZINC000091020265 180088325 /nfs/dbraw/zinc/08/83/25/180088325.db2.gz OUHKGFOYALIULP-UHFFFAOYSA-N 1 0 283.379 2.433 10 0 CEAERO C[C@@H]([NH3+])Cc1cn(C[C@H]2CCCO2)c2ncccc12 ZINC000091021746 180088920 /nfs/dbraw/zinc/08/89/20/180088920.db2.gz DCIFXAWXFXEFAB-DGCLKSJQSA-N 1 0 259.353 2.105 10 0 CEAERO COc1ccc2nc(-c3csc([C@H](C)[NH3+])n3)[nH]c2n1 ZINC000090934788 180067701 /nfs/dbraw/zinc/06/77/01/180067701.db2.gz CBMLEBVWBWSKLS-LURJTMIESA-N 1 0 275.337 2.110 10 0 CEAERO C[C@H]([NH3+])c1nc(-c2nc(-c3cccnc3)no2)cs1 ZINC000090938540 180068076 /nfs/dbraw/zinc/06/80/76/180068076.db2.gz AXPSAMPWVYBKRU-ZETCQYMHSA-N 1 0 273.321 2.275 10 0 CEAERO Cc1cc(F)ccc1NC(=O)c1csc(CC[NH3+])n1 ZINC000090946061 180069732 /nfs/dbraw/zinc/06/97/32/180069732.db2.gz UVNIUSBSMHVVNO-UHFFFAOYSA-N 1 0 279.340 2.344 10 0 CEAERO CCC[C@H](C[NH3+])C1(O)CC(OCc2ccccc2)C1 ZINC000669377832 539760808 /nfs/dbraw/zinc/76/08/08/539760808.db2.gz XSTWQAHMLQIBNB-QQFBHYJXSA-N 1 0 263.381 2.472 10 0 CEAERO Clc1ccc2[nH]c(C[C@H]3CSCC[NH2+]3)nc2c1 ZINC000091128463 180100244 /nfs/dbraw/zinc/10/02/44/180100244.db2.gz ZRLYCJGGTBXHNZ-VIFPVBQESA-N 1 0 267.785 2.464 10 0 CEAERO C[C@H](OC(=O)C[C@@H]1CSCC[NH2+]1)c1ccccc1 ZINC000091129958 180100856 /nfs/dbraw/zinc/10/08/56/180100856.db2.gz SRPBTGARHVJFKT-WCQYABFASA-N 1 0 265.378 2.386 10 0 CEAERO CCN(CC)C(=O)C[C@@H](CN)[N@H+](C)CC1CCCCC1 ZINC000091322784 180134556 /nfs/dbraw/zinc/13/45/56/180134556.db2.gz RKAPTKPCKQUDSP-HNNXBMFYSA-N 1 0 283.460 2.084 10 0 CEAERO CCc1c(C[NH2+]CCOC)cnn1-c1ccc(F)cc1 ZINC000091335177 180136344 /nfs/dbraw/zinc/13/63/44/180136344.db2.gz SYENIQPLFKQQDW-UHFFFAOYSA-N 1 0 277.343 2.310 10 0 CEAERO Cc1cccnc1CNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000091361260 180141068 /nfs/dbraw/zinc/14/10/68/180141068.db2.gz MZJOOXDBSUYFMD-ILXRZTDVSA-N 1 0 287.407 2.317 10 0 CEAERO Cc1cccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)n1 ZINC000091360994 180141188 /nfs/dbraw/zinc/14/11/88/180141188.db2.gz PUAMVASBFJERIT-BPUTZDHNSA-N 1 0 287.407 2.317 10 0 CEAERO COc1ccc(C)cc1[C@H]([NH3+])CSC[C@@H](C)CO ZINC000091260604 180115872 /nfs/dbraw/zinc/11/58/72/180115872.db2.gz SRRDPCOJWJNJBD-WCQYABFASA-N 1 0 269.410 2.365 10 0 CEAERO C[NH2+][C@H](CS[C@@H](C)CCO)c1ccc(OC)cc1 ZINC000091269033 180116945 /nfs/dbraw/zinc/11/69/45/180116945.db2.gz CNEHKTKBTJBRLA-SMDDNHRTSA-N 1 0 269.410 2.460 10 0 CEAERO CC(C)n1cncc1CN1[C@H](C)CCC[C@@H]1C[NH3+] ZINC000091273038 180118016 /nfs/dbraw/zinc/11/80/16/180118016.db2.gz VYANSWJWVVPNRK-CHWSQXEVSA-N 1 0 250.390 2.166 10 0 CEAERO CCCN(Cc1cncn1C1CC1)[C@H]1CCC[NH2+]C1 ZINC000091277059 180119785 /nfs/dbraw/zinc/11/97/85/180119785.db2.gz MIFMGDGZWQSNEJ-AWEZNQCLSA-N 1 0 262.401 2.182 10 0 CEAERO CCC(CC)N(CCOC)[C@H](C[NH3+])c1cncn1C1CC1 ZINC000091276436 180120527 /nfs/dbraw/zinc/12/05/27/180120527.db2.gz MLAZXQZHSLJGQA-OAHLLOKOSA-N 1 0 294.443 2.355 10 0 CEAERO C[C@@H](NC(=O)C[C@@H]1CSCC[NH2+]1)c1ccsc1 ZINC000091291155 180122715 /nfs/dbraw/zinc/12/27/15/180122715.db2.gz RPWCYJIXAKRKAF-MWLCHTKSSA-N 1 0 270.423 2.020 10 0 CEAERO CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@H]([NH3+])[C@]3(CCOC3)[C@H]21 ZINC000669382898 539765747 /nfs/dbraw/zinc/76/57/47/539765747.db2.gz FPTCDFSSZUZYRO-LMOYCYGVSA-N 1 0 296.411 2.140 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(CCNc2cccc(F)c2)C1 ZINC000091430332 180152930 /nfs/dbraw/zinc/15/29/30/180152930.db2.gz QBNDBCVCUXIVPC-OAHLLOKOSA-N 1 0 265.376 2.264 10 0 CEAERO CCCc1nc(N2CCC[C@H]([NH+](C)C)C2)sc1CO ZINC000091432685 180153640 /nfs/dbraw/zinc/15/36/40/180153640.db2.gz MKMKCSBBJXGMHF-NSHDSACASA-N 1 0 283.441 2.118 10 0 CEAERO C[NH+](C)[C@H]1CCCN(c2nc(C3CC3)c(CO)s2)C1 ZINC000091432984 180153673 /nfs/dbraw/zinc/15/36/73/180153673.db2.gz KBVGPWRGHWDEFK-NSHDSACASA-N 1 0 281.425 2.043 10 0 CEAERO C[C@@H]([NH2+]C1CC(O)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000091431099 180153858 /nfs/dbraw/zinc/15/38/58/180153858.db2.gz ISQZOQWTVUSVDI-KBHBFKLGSA-N 1 0 298.427 2.135 10 0 CEAERO C[C@@H](O)c1cccc(NC(=O)N2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000091433280 180154749 /nfs/dbraw/zinc/15/47/49/180154749.db2.gz DXJPZWHDCSOVPY-IUODEOHRSA-N 1 0 291.395 2.298 10 0 CEAERO C[C@H]1C[N@H+](C[C@H](O)c2ccc3c(c2)OCO3)C[C@H]1C ZINC000091440055 180156349 /nfs/dbraw/zinc/15/63/49/180156349.db2.gz FCTXWCJMFODJHF-LOWVWBTDSA-N 1 0 263.337 2.037 10 0 CEAERO C[C@H]([C@@H](O)c1ccccc1)N1CCC[C@H]([NH+](C)C)C1 ZINC000091449621 180157958 /nfs/dbraw/zinc/15/79/58/180157958.db2.gz VVVBNJWFXMMDLW-VNQPRFMTSA-N 1 0 262.397 2.135 10 0 CEAERO O=C(c1ccncc1Cl)N1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000091456858 180160395 /nfs/dbraw/zinc/16/03/95/180160395.db2.gz CSXAQAXRVIKCEC-CHWSQXEVSA-N 1 0 279.771 2.092 10 0 CEAERO CC(C)[NH2+]CCc1nnc(-c2ccncc2Cl)o1 ZINC000091465271 180163773 /nfs/dbraw/zinc/16/37/73/180163773.db2.gz VKNIGYVQIPLGGH-UHFFFAOYSA-N 1 0 266.732 2.326 10 0 CEAERO CCC[NH2+]CC[C@@](C)(O)c1cc(OC)ccc1OC ZINC000091465402 180163840 /nfs/dbraw/zinc/16/38/40/180163840.db2.gz GWGULHUCQFVTKV-OAHLLOKOSA-N 1 0 267.369 2.301 10 0 CEAERO CC(C)C[NH2+]C[C@H](O)CCc1ccc2c(c1)CCO2 ZINC000091466287 180164008 /nfs/dbraw/zinc/16/40/08/180164008.db2.gz KXMVLLNVLAGXHS-OAHLLOKOSA-N 1 0 263.381 2.161 10 0 CEAERO CC[NH2+]CC[C@@](C)(O)Cc1c(Cl)c(CC)nn1CC ZINC000091467526 180164432 /nfs/dbraw/zinc/16/44/32/180164432.db2.gz JODMEBYADLYUHY-CQSZACIVSA-N 1 0 287.835 2.412 10 0 CEAERO COCC[NH2+]C[C@H](O)Cc1csc2ccccc12 ZINC000091467397 180164491 /nfs/dbraw/zinc/16/44/91/180164491.db2.gz VYWNEARSSYWRNZ-GFCCVEGCSA-N 1 0 265.378 2.041 10 0 CEAERO COc1ccc(CC[C@@H](O)C[NH2+]CC(C)C)cc1 ZINC000091469502 180164893 /nfs/dbraw/zinc/16/48/93/180164893.db2.gz CQLPXTATBVRYLU-CQSZACIVSA-N 1 0 251.370 2.234 10 0 CEAERO Cc1cc([C@@H]2[C@H]([NH3+])CCC(=O)N2C)ccc1Br ZINC000091476119 180166192 /nfs/dbraw/zinc/16/61/92/180166192.db2.gz BUODJWXZSIDFLS-DGCLKSJQSA-N 1 0 297.196 2.378 10 0 CEAERO CC[NH2+]Cc1nnnn1-c1cc(C(F)(F)F)ccc1C ZINC000091480994 180166809 /nfs/dbraw/zinc/16/68/09/180166809.db2.gz LALQTFOMSRWNRO-UHFFFAOYSA-N 1 0 285.273 2.099 10 0 CEAERO CSC1(C(N)=S)CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000091489042 180168197 /nfs/dbraw/zinc/16/81/97/180168197.db2.gz WQEUHWCFVFMXQM-NSHDSACASA-N 1 0 288.482 2.039 10 0 CEAERO CC1(C)C(C(=O)NCc2ccccc2C[NH3+])C1(C)C ZINC000091492690 180170595 /nfs/dbraw/zinc/17/05/95/180170595.db2.gz HUCRSTLEXQVYPF-UHFFFAOYSA-N 1 0 260.381 2.444 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)Nc1ccc(F)cc1F ZINC000091496757 180172549 /nfs/dbraw/zinc/17/25/49/180172549.db2.gz VUONUYYDHFNZAR-GZMMTYOYSA-N 1 0 269.295 2.227 10 0 CEAERO CCC[NH2+][C@H](Cc1ccc(C)cn1)C(C)(C)S(C)(=O)=O ZINC000091386209 180144299 /nfs/dbraw/zinc/14/42/99/180144299.db2.gz NPRALWLWJAMCEN-CQSZACIVSA-N 1 0 298.452 2.124 10 0 CEAERO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(Cl)ccc2N)C1 ZINC000091392507 180144763 /nfs/dbraw/zinc/14/47/63/180144763.db2.gz BQJAEKISFCJTPJ-NSHDSACASA-N 1 0 281.787 2.088 10 0 CEAERO CS[C@@H](C)C[NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000091403105 180147626 /nfs/dbraw/zinc/14/76/26/180147626.db2.gz LUJRGZZWOBQDOT-IUCAKERBSA-N 1 0 265.382 2.258 10 0 CEAERO C[N@H+](CCCNCc1cnco1)C1CCCCC1 ZINC000091410721 180149128 /nfs/dbraw/zinc/14/91/28/180149128.db2.gz ROJWQXJPGMTPFG-UHFFFAOYSA-N 1 0 251.374 2.419 10 0 CEAERO OC1CC([NH2+]Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000091415842 180149352 /nfs/dbraw/zinc/14/93/52/180149352.db2.gz FRLDZLIIWIJIHH-UHFFFAOYSA-N 1 0 261.243 2.198 10 0 CEAERO CCC[NH2+]Cc1cncc(-n2ncc3ccccc32)n1 ZINC000091422277 180151438 /nfs/dbraw/zinc/15/14/38/180151438.db2.gz OBIVKZWVJKPGCP-UHFFFAOYSA-N 1 0 267.336 2.315 10 0 CEAERO CCC[NH2+][C@@H](Cc1ncnn1CC)C(C)(C)N1CCCC1 ZINC000091563698 180192912 /nfs/dbraw/zinc/19/29/12/180192912.db2.gz DKVXWNHJEDDFJF-AWEZNQCLSA-N 1 0 293.459 2.083 10 0 CEAERO CCn1ccnc1[C@H](O)C(C)(C)[NH+]1CCCCC1 ZINC000091563989 180192950 /nfs/dbraw/zinc/19/29/50/180192950.db2.gz CWMUCYUHEBHYMS-LBPRGKRZSA-N 1 0 251.374 2.201 10 0 CEAERO C[NH2+][C@@H](c1ccc(OC)cc1C)C(C)(C)N1CCOCC1 ZINC000091566560 180194211 /nfs/dbraw/zinc/19/42/11/180194211.db2.gz BSLBBKGSFAVELI-INIZCTEOSA-N 1 0 292.423 2.375 10 0 CEAERO CC1CCC([C@@H]([NH3+])C(C)(C)N2CCOCC2)CC1 ZINC000091566370 180194249 /nfs/dbraw/zinc/19/42/49/180194249.db2.gz BCJXCFPCOJLOBG-JXQTWKCFSA-N 1 0 254.418 2.251 10 0 CEAERO CCC[NH2+][C@@H](c1nccn1CC)C(C)(C)N1CCOCC1 ZINC000091567184 180195028 /nfs/dbraw/zinc/19/50/28/180195028.db2.gz AKCRKBOMAGUWCJ-AWEZNQCLSA-N 1 0 294.443 2.055 10 0 CEAERO CC[C@@](C)([C@H](O)Cc1ccncc1Cl)[NH+](C)C ZINC000091569156 180195333 /nfs/dbraw/zinc/19/53/33/180195333.db2.gz KPJDWLSZQBTKIU-OLZOCXBDSA-N 1 0 256.777 2.369 10 0 CEAERO CC[C@@](C)([C@@H](O)c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000091569106 180195359 /nfs/dbraw/zinc/19/53/59/180195359.db2.gz VSQODHOZGAGMDN-GJZGRUSLSA-N 1 0 267.369 2.468 10 0 CEAERO CC[C@](C)([C@H](N)c1cc(Cl)cnc1N)[NH+](C)C ZINC000091569713 180195493 /nfs/dbraw/zinc/19/54/93/180195493.db2.gz DOGQBYSKWGSYFU-ZYHUDNBSSA-N 1 0 256.781 2.047 10 0 CEAERO CC[C@](C)([C@H](N)Cc1ccccc1OC)[NH+](C)C ZINC000091570157 180195759 /nfs/dbraw/zinc/19/57/59/180195759.db2.gz WVZPSLWVKUZKGZ-HUUCEWRRSA-N 1 0 250.386 2.295 10 0 CEAERO CCc1nn(C)c(C[C@@H](O)[C@](C)(CC)[NH+](C)C)c1Cl ZINC000091569275 180195920 /nfs/dbraw/zinc/19/59/20/180195920.db2.gz VSVJGKKAYXGQHL-OCCSQVGLSA-N 1 0 287.835 2.270 10 0 CEAERO CCCc1nn(C)c(NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1N ZINC000091577251 180197655 /nfs/dbraw/zinc/19/76/55/180197655.db2.gz XKMZPHLEBPWFQP-YHWZYXNKSA-N 1 0 291.443 2.382 10 0 CEAERO CC(C)c1nn(C)c(NCC[NH+]2CCC(C)CC2)c1N ZINC000091583988 180199739 /nfs/dbraw/zinc/19/97/39/180199739.db2.gz PGGLUJDLCQWVRP-UHFFFAOYSA-N 1 0 279.432 2.270 10 0 CEAERO CCN(CC)[C@@](C)(CC)[C@@H](Cc1cnn(C)c1)[NH2+]C ZINC000091599264 180202358 /nfs/dbraw/zinc/20/23/58/180202358.db2.gz XOXSBMUTCIEJAM-CABCVRRESA-N 1 0 266.433 2.061 10 0 CEAERO CCn1cc(C[C@@H](O)[C@@](C)(CC)[NH+]2CCCC2)cn1 ZINC000091602976 180203602 /nfs/dbraw/zinc/20/36/02/180203602.db2.gz VKGRXRFFSGYSBN-HUUCEWRRSA-N 1 0 265.401 2.071 10 0 CEAERO CCn1ccnc1[C@@H](NC)[C@@](C)(CC)[NH+]1CCCC1 ZINC000091606726 180203761 /nfs/dbraw/zinc/20/37/61/180203761.db2.gz QGKXBVUBYBPILG-UKRRQHHQSA-N 1 0 264.417 2.428 10 0 CEAERO CC[C@@](C)([C@H](Cc1ccccn1)[NH2+]C)N1CCCC1 ZINC000091606060 180203806 /nfs/dbraw/zinc/20/38/06/180203806.db2.gz LXNADALMEJNUMT-HOTGVXAUSA-N 1 0 261.413 2.477 10 0 CEAERO CC[NH2+][C@@H](Cc1cnccc1N)[C@@](C)(CC)N1CCCC1 ZINC000091607208 180204330 /nfs/dbraw/zinc/20/43/30/180204330.db2.gz WUVKKVNXISOLNP-DLBZAZTESA-N 1 0 290.455 2.449 10 0 CEAERO CCN[C@@H](c1ccnn1C)[C@@](C)(CC)[NH+]1CCCC1 ZINC000091607392 180204695 /nfs/dbraw/zinc/20/46/95/180204695.db2.gz UHKPJJBVGPGNPW-LSDHHAIUSA-N 1 0 264.417 2.335 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCc2cc(F)ccc2F)C1 ZINC000105174220 186044745 /nfs/dbraw/zinc/04/47/45/186044745.db2.gz AVPCTNBCZJJOBW-CYBMUJFWSA-N 1 0 297.349 2.248 10 0 CEAERO CC[C@](C)([C@@H](O)c1ccnn1C)[NH+]1CCCCC1 ZINC000091608880 180205471 /nfs/dbraw/zinc/20/54/71/180205471.db2.gz OQXGBQGCBRGQDF-UONOGXRCSA-N 1 0 251.374 2.108 10 0 CEAERO CC[C@](C)([C@@H](O)c1nccn1C)[NH+]1CCCCC1 ZINC000091608788 180205548 /nfs/dbraw/zinc/20/55/48/180205548.db2.gz ACZUBWCHLVIFII-GXTWGEPZSA-N 1 0 251.374 2.108 10 0 CEAERO CC[C@](C)([C@H]([NH3+])c1ccc(OC)cc1)N1CCOCC1 ZINC000091611570 180206238 /nfs/dbraw/zinc/20/62/38/180206238.db2.gz ONNJOPJSLNTXJC-HZPDHXFCSA-N 1 0 278.396 2.196 10 0 CEAERO CC[C@](C)([C@@H](O)C1CCCCC1)[NH+]1CCOCC1 ZINC000091611256 180206399 /nfs/dbraw/zinc/20/63/99/180206399.db2.gz KEXHYQGTMOEXDX-LSDHHAIUSA-N 1 0 255.402 2.429 10 0 CEAERO CC[C@@](C)([C@@H]([NH3+])c1ccsc1)N1CCOCC1 ZINC000091611619 180206656 /nfs/dbraw/zinc/20/66/56/180206656.db2.gz YYTJGBHWGKJMBE-STQMWFEESA-N 1 0 254.399 2.249 10 0 CEAERO CC(C)N1C(=O)C[C@@H]([NH2+]CCc2ccc(Cl)cc2)C1=O ZINC000104929534 186033068 /nfs/dbraw/zinc/03/30/68/186033068.db2.gz KSKDJWXENQYXBM-CYBMUJFWSA-N 1 0 294.782 2.008 10 0 CEAERO CC[C@](C)([C@@H]([NH3+])c1ccc(F)cc1)N1CCOCC1 ZINC000091611988 180207022 /nfs/dbraw/zinc/20/70/22/180207022.db2.gz RBONMUVAGNMUSA-LSDHHAIUSA-N 1 0 266.360 2.326 10 0 CEAERO CC[NH2+][C@@H](c1nccn1CC)[C@](C)(CC)N1CCOCC1 ZINC000091612979 180207129 /nfs/dbraw/zinc/20/71/29/180207129.db2.gz CADGIYSTFQBFMH-HOCLYGCPSA-N 1 0 294.443 2.055 10 0 CEAERO CC[NH2+][C@@H](c1ccnn1CC)[C@](C)(CC)N1CCOCC1 ZINC000091612787 180207314 /nfs/dbraw/zinc/20/73/14/180207314.db2.gz SJEDEGIJKMAENT-HOTGVXAUSA-N 1 0 294.443 2.055 10 0 CEAERO CC[C@](C)([C@@H](CCC(F)(F)F)[NH2+]C)N1CCOCC1 ZINC000091612702 180207385 /nfs/dbraw/zinc/20/73/85/180207385.db2.gz HVIWTDVXDYTQRD-VXGBXAGGSA-N 1 0 282.350 2.418 10 0 CEAERO CCCn1ccnc1[C@H](N)C(CC)(CC)[NH+](C)C ZINC000091614139 180207822 /nfs/dbraw/zinc/20/78/22/180207822.db2.gz HWABUEXKPIRMTM-LBPRGKRZSA-N 1 0 252.406 2.413 10 0 CEAERO CCCn1ncnc1C[C@@H](O)C(CC)(CC)[NH+](CC)CC ZINC000091615500 180208197 /nfs/dbraw/zinc/20/81/97/180208197.db2.gz SIXIRRZIXOQBNV-CQSZACIVSA-N 1 0 296.459 2.492 10 0 CEAERO CCOC(=O)[C@@]1(Nc2cc(C)cc(F)c2)CC[N@H+](C)C1 ZINC000091516033 180176904 /nfs/dbraw/zinc/17/69/04/180176904.db2.gz WCKCNQCMFNJQPY-OAHLLOKOSA-N 1 0 280.343 2.183 10 0 CEAERO COCC[NH2+]CC[C@@](C)(O)Cc1ccnc2ccccc12 ZINC000091519855 180178123 /nfs/dbraw/zinc/17/81/23/180178123.db2.gz SSKXEEBXVIHUQQ-QGZVFWFLSA-N 1 0 288.391 2.154 10 0 CEAERO COc1ccc([C@@H](N)C(C)(C)[NH+](C)C)c(OC)c1 ZINC000091528365 180179844 /nfs/dbraw/zinc/17/98/44/180179844.db2.gz PEFIUURICOQSHB-CYBMUJFWSA-N 1 0 252.358 2.044 10 0 CEAERO CCn1nc(C)c(Cl)c1C[C@H](O)C(C)(C)[NH+](C)C ZINC000091528343 180179948 /nfs/dbraw/zinc/17/99/48/180179948.db2.gz VLFOSDCDYNAEQL-NSHDSACASA-N 1 0 273.808 2.108 10 0 CEAERO CC[C@@H](C)n1ccc(C[C@H]([NH2+]C)C(C)(C)N(C)C)n1 ZINC000091528611 180180406 /nfs/dbraw/zinc/18/04/06/180180406.db2.gz CIKQGZPYNGAORK-OCCSQVGLSA-N 1 0 266.433 2.325 10 0 CEAERO C[NH2+][C@@H](Cc1ccc(F)cc1F)C(C)(C)N(C)C ZINC000091528799 180180667 /nfs/dbraw/zinc/18/06/67/180180667.db2.gz LQGAVNXZUIYHTQ-ZDUSSCGKSA-N 1 0 256.340 2.436 10 0 CEAERO CC[NH+](CC)C(C)(C)C(=O)Cc1ncnn1C(C)C ZINC000091529777 180180669 /nfs/dbraw/zinc/18/06/69/180180669.db2.gz WWPICYGLGSXDOJ-UHFFFAOYSA-N 1 0 266.389 2.091 10 0 CEAERO Cn1nc(C[C@H](O)C(C)(C)[NH+]2CCCC2)c2ccccc21 ZINC000091533182 180181489 /nfs/dbraw/zinc/18/14/89/180181489.db2.gz KXRRYMWHIDFINY-INIZCTEOSA-N 1 0 287.407 2.351 10 0 CEAERO [NH3+][C@H]1CC[C@@H](C(=O)Nc2c3nsnc3ccc2Cl)C1 ZINC000091542634 180184448 /nfs/dbraw/zinc/18/44/48/180184448.db2.gz QXYTZPIACCNBMU-RQJHMYQMSA-N 1 0 296.783 2.411 10 0 CEAERO CCN(C(=O)[C@@H]1CC[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000091543824 180185171 /nfs/dbraw/zinc/18/51/71/180185171.db2.gz MDRGWQBBAHCVQO-PWSUYJOCSA-N 1 0 250.317 2.306 10 0 CEAERO CC[C@H]([NH2+][C@H]1CC(=O)N(c2ccccc2)C1=O)C(C)C ZINC000105028349 186038519 /nfs/dbraw/zinc/03/85/19/186038519.db2.gz RNWOHMWKNJKKLV-KBPBESRZSA-N 1 0 274.364 2.343 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](C(=O)Nc2cc(F)cc(F)c2F)C1 ZINC000091546041 180187032 /nfs/dbraw/zinc/18/70/32/180187032.db2.gz VLPNWLOOFXPJGZ-HTRCEHHLSA-N 1 0 258.243 2.170 10 0 CEAERO CC(C)C(=O)Nc1ccc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000091546180 180187153 /nfs/dbraw/zinc/18/71/53/180187153.db2.gz BUQZEVAEKYDNQL-NEPJUHHUSA-N 1 0 289.379 2.347 10 0 CEAERO [NH3+][C@@H]1CC[C@H](C(=O)NCCc2ccc(Cl)cc2)C1 ZINC000091546859 180187592 /nfs/dbraw/zinc/18/75/92/180187592.db2.gz QJNYRJYUXGTMES-WCQYABFASA-N 1 0 266.772 2.126 10 0 CEAERO COc1c(C)cnc(C[C@@H](O)C2([NH+](C)C)CCCC2)c1C ZINC000091636397 180211235 /nfs/dbraw/zinc/21/12/35/180211235.db2.gz UZZUQFRJVCXQGU-OAHLLOKOSA-N 1 0 292.423 2.485 10 0 CEAERO CC[NH+](CC)C1(C(=O)Cc2cc(C)nn2C)CCCC1 ZINC000091638539 180211886 /nfs/dbraw/zinc/21/18/86/180211886.db2.gz SRJCUEPSFVGBED-UHFFFAOYSA-N 1 0 277.412 2.495 10 0 CEAERO C[NH2+][C@H](c1cncc(F)c1)C1(N(C)C)CCCC1 ZINC000091637800 180212325 /nfs/dbraw/zinc/21/23/25/180212325.db2.gz ISCZSEGBMAANDO-CYBMUJFWSA-N 1 0 251.349 2.356 10 0 CEAERO CC[NH+](CC)C1([C@H](N)c2ccnn2C)CCCC1 ZINC000091639240 180212451 /nfs/dbraw/zinc/21/24/51/180212451.db2.gz HQLPOASITNORPH-CYBMUJFWSA-N 1 0 250.390 2.075 10 0 CEAERO CCc1cc(C[C@H](N)C2([NH+]3CCCC3)CCCC2)n(C)n1 ZINC000091640676 180213436 /nfs/dbraw/zinc/21/34/36/180213436.db2.gz ZJCOBOSIMGTKMJ-INIZCTEOSA-N 1 0 290.455 2.261 10 0 CEAERO CC(C)n1ncnc1C[C@@H](O)C1([NH+]2CCCC2)CCCC1 ZINC000091640216 180213597 /nfs/dbraw/zinc/21/35/97/180213597.db2.gz BLRBDJWCEJFMHC-CQSZACIVSA-N 1 0 292.427 2.171 10 0 CEAERO [NH3+][C@H](CC1CCC1)C1(N2CCOCC2)CCCC1 ZINC000091643095 180214207 /nfs/dbraw/zinc/21/42/07/180214207.db2.gz PWVZDQNTLYVCFN-CQSZACIVSA-N 1 0 252.402 2.149 10 0 CEAERO C[NH2+][C@@H](c1cnccc1C)C1(N2CCOCC2)CCCC1 ZINC000091646175 180215220 /nfs/dbraw/zinc/21/52/20/180215220.db2.gz KTNCMQKJDRXXQA-INIZCTEOSA-N 1 0 289.423 2.296 10 0 CEAERO CCn1cc([C@H]([NH2+]C)C2(N(C)C)CCCCC2)cn1 ZINC000091647626 180215234 /nfs/dbraw/zinc/21/52/34/180215234.db2.gz VYXWVPKRFZEDSK-AWEZNQCLSA-N 1 0 264.417 2.428 10 0 CEAERO CC1CCC([C@@H](O)C2CCOCC2)([NH+](C)C)CC1 ZINC000091648346 180215302 /nfs/dbraw/zinc/21/53/02/180215302.db2.gz NEIZKCNEYJWLGL-BLZCZZARSA-N 1 0 255.402 2.284 10 0 CEAERO CCn1nccc1[C@@H](N)C1([NH+](C)C)CCCCC1 ZINC000091647034 180215550 /nfs/dbraw/zinc/21/55/50/180215550.db2.gz IKDLRYBGVRPXIT-CYBMUJFWSA-N 1 0 250.390 2.167 10 0 CEAERO C[NH2+][C@@H](c1cnccc1N)C1(N(C)C)CCCCC1 ZINC000091647483 180215692 /nfs/dbraw/zinc/21/56/92/180215692.db2.gz YGSJHAOGABCMKI-AWEZNQCLSA-N 1 0 262.401 2.189 10 0 CEAERO C[NH2+][C@@H](c1cc(C)cnc1N)C1(N(C)C)CCCCC1 ZINC000091647433 180215774 /nfs/dbraw/zinc/21/57/74/180215774.db2.gz ZVTGJMJEHZVCMY-AWEZNQCLSA-N 1 0 276.428 2.497 10 0 CEAERO Cn1ccnc1[C@@H](N)C1([NH+](C)C)CCCCCC1 ZINC000091654144 180216807 /nfs/dbraw/zinc/21/68/07/180216807.db2.gz WLXSNNJRFGNYLX-GFCCVEGCSA-N 1 0 250.390 2.075 10 0 CEAERO CCn1ncnc1CC(=O)C1([NH+](C)C)CCCCCC1 ZINC000091653668 180216942 /nfs/dbraw/zinc/21/69/42/180216942.db2.gz HXBRSFSBBRFBMS-UHFFFAOYSA-N 1 0 278.400 2.064 10 0 CEAERO Cc1cc2c(n1C[C@H]1CN(C)CCO1)CC(C)(C)C[C@@H]2[NH3+] ZINC000091679131 180226387 /nfs/dbraw/zinc/22/63/87/180226387.db2.gz FUDAYPGHCYZUEK-HIFRSBDPSA-N 1 0 291.439 2.099 10 0 CEAERO CC[NH+](CC)CC[C@@H](O)Cc1ccncc1Cl ZINC000091714349 180231634 /nfs/dbraw/zinc/23/16/34/180231634.db2.gz OMYCZSMEYMCPQH-GFCCVEGCSA-N 1 0 256.777 2.370 10 0 CEAERO C[NH2+][C@@H](c1ccc2ccccc2c1)[C@@H]1CN(C)CCO1 ZINC000091717571 180232199 /nfs/dbraw/zinc/23/21/99/180232199.db2.gz VCTHAAQHYGMVQP-IRXDYDNUSA-N 1 0 270.376 2.431 10 0 CEAERO CC[NH2+][C@@H](Cc1cc(C)cc(C)c1)[C@H]1CN(C)CCO1 ZINC000091718876 180233233 /nfs/dbraw/zinc/23/32/33/180233233.db2.gz QPZWWWBBYWTBTQ-DLBZAZTESA-N 1 0 276.424 2.155 10 0 CEAERO CCC[NH2+][C@@H](CC1CCCC1)[C@@H]1CN(C)CCO1 ZINC000091718962 180233254 /nfs/dbraw/zinc/23/32/54/180233254.db2.gz HPJQDBPMOPIZOR-GJZGRUSLSA-N 1 0 254.418 2.266 10 0 CEAERO CC[NH2+][C@H](c1ccc(C)c(C)c1)[C@H]1CN(C)CCO1 ZINC000091718701 180233486 /nfs/dbraw/zinc/23/34/86/180233486.db2.gz LQTOVMGJAJBKDF-HZPDHXFCSA-N 1 0 262.397 2.285 10 0 CEAERO CC[NH2+][C@H](c1cccc(C)c1C)[C@@H]1CN(C)CCO1 ZINC000091718703 180233582 /nfs/dbraw/zinc/23/35/82/180233582.db2.gz XNNBSYPMLDSLJT-JKSUJKDBSA-N 1 0 262.397 2.285 10 0 CEAERO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCOC[C@@H]2O)cc1C ZINC000624235898 350239649 /nfs/dbraw/zinc/23/96/49/350239649.db2.gz ROHXEVQRTSANTN-BPUTZDHNSA-N 1 0 263.381 2.412 10 0 CEAERO C[NH2+][C@H](CCCc1ccccc1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721483 180237667 /nfs/dbraw/zinc/23/76/67/180237667.db2.gz ZYSVHDLMHPNNOE-KZNAEPCWSA-N 1 0 288.435 2.461 10 0 CEAERO C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CCOC[C@@H]1O ZINC000624238725 350241378 /nfs/dbraw/zinc/24/13/78/350241378.db2.gz XNLFLDVVJSVOAG-BMFZPTHFSA-N 1 0 277.408 2.482 10 0 CEAERO COC(=O)c1ccc([C@H](C)N(C)CCC[NH+](C)C)o1 ZINC000091782613 180254869 /nfs/dbraw/zinc/25/48/69/180254869.db2.gz YCDPABPTNXCQHM-NSHDSACASA-N 1 0 268.357 2.011 10 0 CEAERO Cc1noc(CC[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)n1 ZINC000105469789 186058507 /nfs/dbraw/zinc/05/85/07/186058507.db2.gz VWFOPPZJWQQODC-SKDRFNHKSA-N 1 0 261.325 2.427 10 0 CEAERO CCN(C(=O)c1cncc(C)c1)C1CCC([NH3+])CC1 ZINC000091850455 180272329 /nfs/dbraw/zinc/27/23/29/180272329.db2.gz CXOPOIYLAQDYFR-UHFFFAOYSA-N 1 0 261.369 2.122 10 0 CEAERO CCN(C(=O)Cc1cccc(F)c1)C1CCC([NH3+])CC1 ZINC000091850109 180272412 /nfs/dbraw/zinc/27/24/12/180272412.db2.gz KEEQFGKZPPVJSK-UHFFFAOYSA-N 1 0 278.371 2.487 10 0 CEAERO CCOc1ncnc(N(CC)C2CCC([NH3+])CC2)c1C ZINC000091851344 180273243 /nfs/dbraw/zinc/27/32/43/180273243.db2.gz WKJCRKWRWBXEHT-UHFFFAOYSA-N 1 0 278.400 2.280 10 0 CEAERO COc1ccc(NC(=O)C[N@H+](C)C2CCC(=O)CC2)cc1 ZINC000091853899 180273507 /nfs/dbraw/zinc/27/35/07/180273507.db2.gz RXLKVUWCADVSKW-UHFFFAOYSA-N 1 0 290.363 2.077 10 0 CEAERO COc1cccc(NC(=O)C[N@H+](C)C2CCC(=O)CC2)c1 ZINC000091854123 180273969 /nfs/dbraw/zinc/27/39/69/180273969.db2.gz PAZDSNPKCJBSMB-UHFFFAOYSA-N 1 0 290.363 2.077 10 0 CEAERO CC[NH2+][C@H](C)c1ccn(Cc2ncnn2C(C)C)c1 ZINC000091805612 180260571 /nfs/dbraw/zinc/26/05/71/180260571.db2.gz YZKBFNFRLYZORO-GFCCVEGCSA-N 1 0 261.373 2.379 10 0 CEAERO CCC(CC)NC(=O)Cn1ccc([C@@H]([NH3+])CC)c1 ZINC000091816460 180262348 /nfs/dbraw/zinc/26/23/48/180262348.db2.gz UYNFHVQOOVMZKV-ZDUSSCGKSA-N 1 0 251.374 2.203 10 0 CEAERO CCC[NH2+][C@H](CC)c1ccn(C[C@H](C)C(N)=O)c1 ZINC000091817635 180263127 /nfs/dbraw/zinc/26/31/27/180263127.db2.gz ZEDZBKVZDIKZMU-WCQYABFASA-N 1 0 251.374 2.060 10 0 CEAERO CC[C@@H]([NH2+]C)c1ccn(CC(=O)N(C)C(C)C)c1 ZINC000091816776 180263235 /nfs/dbraw/zinc/26/32/35/180263235.db2.gz AUTPZPCPXCBJFH-CYBMUJFWSA-N 1 0 251.374 2.025 10 0 CEAERO CCC[C@H]([NH3+])c1ccn(CC(=O)NC(C)(C)C)c1 ZINC000091821143 180263877 /nfs/dbraw/zinc/26/38/77/180263877.db2.gz MGAQIFOSTMHWGP-LBPRGKRZSA-N 1 0 251.374 2.203 10 0 CEAERO CCC[C@H]([NH2+]C)c1ccn(CC(=O)N(C)CC)c1 ZINC000091822302 180264057 /nfs/dbraw/zinc/26/40/57/180264057.db2.gz PFWIYOCFAXGIKI-ZDUSSCGKSA-N 1 0 251.374 2.027 10 0 CEAERO CCC[C@@H]([NH2+]CC)c1ccn(CC(=O)NC(C)C)c1 ZINC000091822703 180264134 /nfs/dbraw/zinc/26/41/34/180264134.db2.gz PPHSKROUGYFDGZ-CQSZACIVSA-N 1 0 265.401 2.463 10 0 CEAERO C[NH2+][C@H](c1ccn(CC(=O)N2CCCC2)c1)C(C)C ZINC000091826941 180264830 /nfs/dbraw/zinc/26/48/30/180264830.db2.gz SANGJZAJDYHXKY-HNNXBMFYSA-N 1 0 263.385 2.027 10 0 CEAERO CCC[NH2+][C@@H](c1ccn(CCC(=O)NC)c1)C1CC1 ZINC000091839169 180267965 /nfs/dbraw/zinc/26/79/65/180267965.db2.gz WNUOKCLPNMYAHZ-OAHLLOKOSA-N 1 0 263.385 2.075 10 0 CEAERO CCN(C(=O)c1ccc2c(c1)OCO2)C1CCC([NH3+])CC1 ZINC000091850231 180272218 /nfs/dbraw/zinc/27/22/18/180272218.db2.gz NSBPLAAIZQQNOI-UHFFFAOYSA-N 1 0 290.363 2.147 10 0 CEAERO COC(C[C@](C)(O)C1(C[NH3+])CCC(C)(C)CC1)OC ZINC000091925662 180287645 /nfs/dbraw/zinc/28/76/45/180287645.db2.gz ZZLAFLGZZQJEGJ-AWEZNQCLSA-N 1 0 273.417 2.292 10 0 CEAERO CCC[NH2+]Cc1ncoc1-c1cccc(S(C)(=O)=O)c1 ZINC000091958201 180292274 /nfs/dbraw/zinc/29/22/74/180292274.db2.gz HIJBWDBCFTYLDL-UHFFFAOYSA-N 1 0 294.376 2.245 10 0 CEAERO CCCN(C(=O)N(C)C)[C@@]1(C[NH3+])CCC[C@H](C)C1 ZINC000091960675 180292295 /nfs/dbraw/zinc/29/22/95/180292295.db2.gz DJWHZDSVLXUCNF-JSGCOSHPSA-N 1 0 255.406 2.288 10 0 CEAERO COCC[NH2+]Cc1ncoc1-c1cc(OC)ccc1OC ZINC000091959503 180292346 /nfs/dbraw/zinc/29/23/46/180292346.db2.gz MICVZJXITFOWJJ-UHFFFAOYSA-N 1 0 292.335 2.095 10 0 CEAERO c1nc(C[NH2+]C2CC2)c(-c2ccc3c(c2)OCCO3)o1 ZINC000091958499 180292545 /nfs/dbraw/zinc/29/25/45/180292545.db2.gz NPOKZOKOLXVCHR-UHFFFAOYSA-N 1 0 272.304 2.365 10 0 CEAERO CCCN(C(=O)N(C)C)C1(C[NH3+])CCC(C)CC1 ZINC000091960668 180292684 /nfs/dbraw/zinc/29/26/84/180292684.db2.gz TZIWGJVVOBNLBG-UHFFFAOYSA-N 1 0 255.406 2.288 10 0 CEAERO CCN(C(=O)N1CCCC1)[C@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000091963108 180293203 /nfs/dbraw/zinc/29/32/03/180293203.db2.gz LWHVHJSUAOGYTJ-UKRRQHHQSA-N 1 0 267.417 2.432 10 0 CEAERO CCCN(C(=O)N1CCCCC1)[C@](C)(CC)C[NH3+] ZINC000091969116 180294449 /nfs/dbraw/zinc/29/44/49/180294449.db2.gz DJYUCRUSKWIBHE-CQSZACIVSA-N 1 0 255.406 2.432 10 0 CEAERO C[NH2+]C1CCC(NC(=O)c2ccc(C)s2)CC1 ZINC000091871658 180277826 /nfs/dbraw/zinc/27/78/26/180277826.db2.gz GFTNQIMYHXODBY-UHFFFAOYSA-N 1 0 252.383 2.317 10 0 CEAERO C[NH2+]C1CCC(NC(=O)c2cccn2C(C)C)CC1 ZINC000091871760 180278096 /nfs/dbraw/zinc/27/80/96/180278096.db2.gz WBYNZHHQKPSMRO-UHFFFAOYSA-N 1 0 263.385 2.329 10 0 CEAERO CCCN(C(=O)N1CCOCC1)[C@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000091970134 180295065 /nfs/dbraw/zinc/29/50/65/180295065.db2.gz UUKXQASGSHLGIH-GDBMZVCRSA-N 1 0 297.443 2.058 10 0 CEAERO [NH3+]CC1([C@@H](O)c2cc3c(c(Cl)c2)OCO3)CCC1 ZINC000091909975 180284561 /nfs/dbraw/zinc/28/45/61/180284561.db2.gz QKXMANTZJXTTLV-LBPRGKRZSA-N 1 0 269.728 2.231 10 0 CEAERO Cc1ccc([C@H](O)[C@]2(C[NH3+])CCOc3ccccc32)o1 ZINC000091909183 180284827 /nfs/dbraw/zinc/28/48/27/180284827.db2.gz NIJZVWWRRILTLD-HOTGVXAUSA-N 1 0 273.332 2.301 10 0 CEAERO [NH3+]C[C@]1([C@@H](O)c2ccc3ccccc3c2)CCOC1 ZINC000091911643 180285343 /nfs/dbraw/zinc/28/53/43/180285343.db2.gz MUUXQUKWJRYJRK-JKSUJKDBSA-N 1 0 257.333 2.239 10 0 CEAERO [NH3+]CC1([C@@H](O)c2ccc3c(c2)OCCCO3)CCCC1 ZINC000091912461 180285397 /nfs/dbraw/zinc/28/53/97/180285397.db2.gz XMWUWQSPMQSFJJ-HNNXBMFYSA-N 1 0 277.364 2.400 10 0 CEAERO CSCC[C@H](O)[C@]1(C[NH3+])CCCc2ccccc21 ZINC000091917483 180285753 /nfs/dbraw/zinc/28/57/53/180285753.db2.gz NEJKPNGOIQKIDX-GJZGRUSLSA-N 1 0 265.422 2.333 10 0 CEAERO COc1ccc(C[C@@](C)(O)C2(C[NH3+])CCC2)cc1OC ZINC000091919826 180286914 /nfs/dbraw/zinc/28/69/14/180286914.db2.gz OLQMTMDSUFEYRY-OAHLLOKOSA-N 1 0 279.380 2.126 10 0 CEAERO CC[C@@H]([NH3+])c1ccccc1OC[C@@H]1CN(CC)CCO1 ZINC000092050980 180312050 /nfs/dbraw/zinc/31/20/50/180312050.db2.gz VXPATPZEECWHQZ-DZGCQCFKSA-N 1 0 278.396 2.196 10 0 CEAERO CCN1CCO[C@H](C[NH2+]C2CCCCCCC2)C1 ZINC000092051829 180313059 /nfs/dbraw/zinc/31/30/59/180313059.db2.gz YCVOUGHISVILPV-OAHLLOKOSA-N 1 0 254.418 2.410 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@@H](C)Cc2ccc(C)s2)C1 ZINC000092052875 180313211 /nfs/dbraw/zinc/31/32/11/180313211.db2.gz MNYRGTJQSOQMMA-JSGCOSHPSA-N 1 0 282.453 2.298 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(OC[C@@H]2CN(C)CCO2)cc1 ZINC000092054163 180313355 /nfs/dbraw/zinc/31/33/55/180313355.db2.gz TXJOJXAACYMABS-BBRMVZONSA-N 1 0 278.396 2.067 10 0 CEAERO CC[C@H]([NH3+])Cc1ccc(OC[C@@H]2CN(CC)CCO2)cc1 ZINC000092060617 180314968 /nfs/dbraw/zinc/31/49/68/180314968.db2.gz KLDMKASWMCFKLX-RDJZCZTQSA-N 1 0 292.423 2.066 10 0 CEAERO NC(=[NH2+])[C@@H](NC(=O)N1CCCCCC1)c1ccccc1 ZINC000091971991 180295470 /nfs/dbraw/zinc/29/54/70/180295470.db2.gz DKOJKKBNTVUFIW-ZDUSSCGKSA-N 1 0 274.368 2.249 10 0 CEAERO C[NH2+]CC[C@H]1CCCCN1C(=O)N1CCCCCC1 ZINC000091971669 180295472 /nfs/dbraw/zinc/29/54/72/180295472.db2.gz DMTDBOXQIDXPPV-CQSZACIVSA-N 1 0 267.417 2.446 10 0 CEAERO CC1CCC(C[NH3+])(NC(=O)N2CCC[C@@H](C)C2)CC1 ZINC000091972817 180296291 /nfs/dbraw/zinc/29/62/91/180296291.db2.gz FQCSQHJGTPACEN-JVWICGRDSA-N 1 0 267.417 2.336 10 0 CEAERO CCN(C)C(=O)N[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC000091990577 180299798 /nfs/dbraw/zinc/29/97/98/180299798.db2.gz IFCWNOWXNAJSJV-GFCCVEGCSA-N 1 0 253.390 2.103 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)N1CCC(C)CC1 ZINC000091991350 180299941 /nfs/dbraw/zinc/29/99/41/180299941.db2.gz YNISVJSJICHWHG-UONOGXRCSA-N 1 0 267.417 2.301 10 0 CEAERO CC1CCN(C(=O)N[C@H](C(N)=[NH2+])c2ccccc2)CC1 ZINC000091993293 180300280 /nfs/dbraw/zinc/30/02/80/180300280.db2.gz HFYXNDGQURHSSP-ZDUSSCGKSA-N 1 0 274.368 2.105 10 0 CEAERO CC1CCC(NC(=O)N2CCC[C@@H](C)C2)(C(N)=[NH2+])CC1 ZINC000091993350 180300614 /nfs/dbraw/zinc/30/06/14/180300614.db2.gz RWISVHGHBXBSNS-MQYJIDSJSA-N 1 0 280.416 2.313 10 0 CEAERO Cc1ccc(O)c(CNc2c[nH+]ccc2N(C)C)n1 ZINC000091993768 180301345 /nfs/dbraw/zinc/30/13/45/180301345.db2.gz NEPRWPAYADDSRI-UHFFFAOYSA-N 1 0 258.325 2.169 10 0 CEAERO Cc1ccc(OCCOc2ccccc2)c(C[NH3+])n1 ZINC000091993626 180301354 /nfs/dbraw/zinc/30/13/54/180301354.db2.gz NNCSBEMXTXNREO-UHFFFAOYSA-N 1 0 258.321 2.307 10 0 CEAERO C[NH2+]Cc1nc(C)ccc1OCCCOCC(F)(F)F ZINC000091994524 180301454 /nfs/dbraw/zinc/30/14/54/180301454.db2.gz WKFYJSJEBPWDMT-UHFFFAOYSA-N 1 0 292.301 2.457 10 0 CEAERO CC[NH2+]Cc1nc(C)ccc1O[C@@H](C)C(=O)N[C@@H](C)CC ZINC000091994794 180301559 /nfs/dbraw/zinc/30/15/59/180301559.db2.gz XYTQGEBCMVXICO-AAEUAGOBSA-N 1 0 293.411 2.182 10 0 CEAERO CCC[NH2+]Cc1nc(C)ccc1OCCCOC ZINC000091995265 180302386 /nfs/dbraw/zinc/30/23/86/180302386.db2.gz XUZBVLHGRXNIDT-UHFFFAOYSA-N 1 0 252.358 2.305 10 0 CEAERO Cc1ccccc1C(=O)CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092002144 180304962 /nfs/dbraw/zinc/30/49/62/180304962.db2.gz RLBZYMJEJCIDQW-CABCVRRESA-N 1 0 272.392 2.346 10 0 CEAERO CN(c1ccccc1)S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092115484 180327405 /nfs/dbraw/zinc/32/74/05/180327405.db2.gz POCLNYHSZSTFPC-UHFFFAOYSA-N 1 0 294.351 2.110 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000092132491 180329794 /nfs/dbraw/zinc/32/97/94/180329794.db2.gz DJOGDPONXCVXFE-QMMMGPOBSA-N 1 0 260.259 2.499 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000092132962 180330421 /nfs/dbraw/zinc/33/04/21/180330421.db2.gz CGNKFYRLWMUZDG-ZJUUUORDSA-N 1 0 299.212 2.482 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)N(CC(F)(F)F)[C@H](C)C1CC1 ZINC000092134316 180332184 /nfs/dbraw/zinc/33/21/84/180332184.db2.gz UDEJMIUPKHAGNU-RKDXNWHRSA-N 1 0 266.307 2.031 10 0 CEAERO CCC[C@@]1(c2nc(C(C)(C)OC)no2)CCC[NH2+]C1 ZINC000092137945 180333749 /nfs/dbraw/zinc/33/37/49/180333749.db2.gz WXCVVMOOERXVMC-CQSZACIVSA-N 1 0 267.373 2.372 10 0 CEAERO CCc1nn(CC)c(C[C@H]([NH3+])C(C)(C)OC)c1Cl ZINC000092138746 180333824 /nfs/dbraw/zinc/33/38/24/180333824.db2.gz UNSZVVFOEWSIIB-NSHDSACASA-N 1 0 273.808 2.414 10 0 CEAERO COC(C)(C)c1noc(C[C@H](C[NH3+])CC(C)C)n1 ZINC000092137949 180333832 /nfs/dbraw/zinc/33/38/32/180333832.db2.gz JTEZXHHTAVTOGU-SNVBAGLBSA-N 1 0 255.362 2.115 10 0 CEAERO C[NH2+]CCCc1cnn(-c2cc(F)c(F)c(F)c2)c1 ZINC000092150453 180334319 /nfs/dbraw/zinc/33/43/19/180334319.db2.gz ALHHSSBPDFEPSN-UHFFFAOYSA-N 1 0 269.270 2.442 10 0 CEAERO C[C@H]1CN([C@@H](C[NH3+])c2ccc3c(c2)OCCCO3)C[C@H]1C ZINC000092082922 180319715 /nfs/dbraw/zinc/31/97/15/180319715.db2.gz YCKBAHNLPWHJEL-GUTXKFCHSA-N 1 0 290.407 2.436 10 0 CEAERO CC(C)n1cncc1[C@H](C[NH3+])N1C[C@H](C)[C@H](C)C1 ZINC000092082331 180319725 /nfs/dbraw/zinc/31/97/25/180319725.db2.gz NWOPEUWRZPAYEJ-XQQFMLRXSA-N 1 0 250.390 2.052 10 0 CEAERO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000092096577 180324047 /nfs/dbraw/zinc/32/40/47/180324047.db2.gz HWDNOYXLGTUSAA-HNNXBMFYSA-N 1 0 298.390 2.096 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)Nc2cccc3cccnc32)C1 ZINC000092201167 180342362 /nfs/dbraw/zinc/34/23/62/180342362.db2.gz UIALXZRTLFDFPN-NWDGAFQWSA-N 1 0 253.305 2.077 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)Nc2cc(Br)ccc2F)C1 ZINC000092201985 180342814 /nfs/dbraw/zinc/34/28/14/180342814.db2.gz JPYNOUOWRMOXCX-APPZFPTMSA-N 1 0 299.143 2.430 10 0 CEAERO CCCOc1cccc(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)c1 ZINC000092202994 180343298 /nfs/dbraw/zinc/34/32/98/180343298.db2.gz WRBVJQYQDBFXQM-NEPJUHHUSA-N 1 0 260.337 2.317 10 0 CEAERO Cc1ccc(CN(C)C(=O)[C@H]2C=C[C@@H]([NH3+])C2)c(C)c1 ZINC000092204817 180343621 /nfs/dbraw/zinc/34/36/21/180343621.db2.gz UZENFKHCLRIARG-DZGCQCFKSA-N 1 0 258.365 2.165 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)Nc2ccc(-c3cnco3)cc2)C1 ZINC000092204143 180343905 /nfs/dbraw/zinc/34/39/05/180343905.db2.gz BKCADQXTPCXODH-NWDGAFQWSA-N 1 0 269.304 2.184 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)N2CCC[C@@H]2c2ccsc2)C1 ZINC000092205140 180344157 /nfs/dbraw/zinc/34/41/57/180344157.db2.gz SQOPWXGTLYZXRH-CYZMBNFOSA-N 1 0 262.378 2.315 10 0 CEAERO CC(C)(C)C1CCN(C(=O)[C@H]2C=C[C@@H]([NH3+])C2)CC1 ZINC000092207223 180344188 /nfs/dbraw/zinc/34/41/88/180344188.db2.gz JHQHIDKPEPKYES-WCQYABFASA-N 1 0 250.386 2.175 10 0 CEAERO Cc1cccc(CN(C(=O)[C@@H]2C=C[C@H]([NH3+])C2)C2CC2)c1 ZINC000092204896 180344222 /nfs/dbraw/zinc/34/42/22/180344222.db2.gz DKLZNDNFCRTHRO-CABCVRRESA-N 1 0 270.376 2.389 10 0 CEAERO CN(C(=O)[C@H]1C=C[C@@H]([NH3+])C1)C1C2CC3CC(C2)CC1C3 ZINC000092204989 180344235 /nfs/dbraw/zinc/34/42/35/180344235.db2.gz WUWFVKHXOHGPDG-DRHLYTSKSA-N 1 0 274.408 2.173 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)N2CCC[C@@H]2c2ccsc2)C1 ZINC000092205142 180344288 /nfs/dbraw/zinc/34/42/88/180344288.db2.gz SQOPWXGTLYZXRH-RAIGVLPGSA-N 1 0 262.378 2.315 10 0 CEAERO CCC1CCC(N(C)C(=O)[C@@H]2C=C[C@@H]([NH3+])C2)CC1 ZINC000092205805 180344410 /nfs/dbraw/zinc/34/44/10/180344410.db2.gz LOJAPAYLEWQDPI-CEUNDQEZSA-N 1 0 250.386 2.317 10 0 CEAERO CCN(C(=O)[C@@H]1Cc2ccccc2S1)C1CC[NH2+]CC1 ZINC000092231780 180348244 /nfs/dbraw/zinc/34/82/44/180348244.db2.gz WDEKWQHFKOMYTR-HNNXBMFYSA-N 1 0 290.432 2.304 10 0 CEAERO C[C@@H]1CCC[C@H](C[NH3+])N1C(=O)[C@@H]1Cc2ccccc2S1 ZINC000092232235 180348481 /nfs/dbraw/zinc/34/84/81/180348481.db2.gz RMJKKIMACVPWFS-KYOSRNDESA-N 1 0 290.432 2.432 10 0 CEAERO [NH3+]CCCc1nnc([C@H]2Cc3ccccc3S2)o1 ZINC000092234229 180349228 /nfs/dbraw/zinc/34/92/28/180349228.db2.gz RYUSEFNNRIXUCC-LLVKDONJSA-N 1 0 261.350 2.350 10 0 CEAERO CN1CCC([NH2+]C[C@@H]2Cc3ccccc3S2)CC1 ZINC000092242494 180351809 /nfs/dbraw/zinc/35/18/09/180351809.db2.gz ZBEAQLGFGWVCJN-AWEZNQCLSA-N 1 0 262.422 2.387 10 0 CEAERO C[C@@H]1CCN(C[C@@H]2Cc3ccccc3S2)C[C@@H]1[NH3+] ZINC000092267829 180355814 /nfs/dbraw/zinc/35/58/14/180355814.db2.gz OVFLKCRLYNXFBP-XBFCOCLRSA-N 1 0 262.422 2.373 10 0 CEAERO COCCN(C)CC[NH2+]C[C@@H]1CSc2ccccc21 ZINC000092275476 180356415 /nfs/dbraw/zinc/35/64/15/180356415.db2.gz HTVLUJLRPMHWOJ-CYBMUJFWSA-N 1 0 280.437 2.044 10 0 CEAERO COCCOCC[NH2+]C[C@@H]1CSc2ccccc21 ZINC000092275300 180356467 /nfs/dbraw/zinc/35/64/67/180356467.db2.gz FXEPFBFWNMYTAC-GFCCVEGCSA-N 1 0 267.394 2.129 10 0 CEAERO CN1CCCC[C@@H]1C[NH2+]C[C@@H]1COc2ccccc21 ZINC000092300443 180358691 /nfs/dbraw/zinc/35/86/91/180358691.db2.gz DULIPHATGGMBAE-ZIAGYGMSSA-N 1 0 260.381 2.237 10 0 CEAERO NC(=S)C1CC[NH+](C[C@H]2COc3ccccc32)CC1 ZINC000092301823 180359731 /nfs/dbraw/zinc/35/97/31/180359731.db2.gz BKACVWYPNKUVMC-LBPRGKRZSA-N 1 0 276.405 2.161 10 0 CEAERO CC(C)(C)SCc1noc([C@H]2C=C[C@H]([NH3+])C2)n1 ZINC000092181986 180338752 /nfs/dbraw/zinc/33/87/52/180338752.db2.gz JJCCFFCXYYFZEU-IUCAKERBSA-N 1 0 253.371 2.472 10 0 CEAERO CC[NH2+]Cc1ccnn1C[C@H]1COc2ccccc21 ZINC000092306713 180360620 /nfs/dbraw/zinc/36/06/20/180360620.db2.gz BGXDOSXZDGASIS-LBPRGKRZSA-N 1 0 257.337 2.169 10 0 CEAERO COCCN1CC[N@H+](CC2CCCCC2)C[C@H]1C ZINC000105832894 186076158 /nfs/dbraw/zinc/07/61/58/186076158.db2.gz IJSCUHUUPWGXPG-CQSZACIVSA-N 1 0 254.418 2.219 10 0 CEAERO COCC[NH2+]CC(=O)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000105852352 186078448 /nfs/dbraw/zinc/07/84/48/186078448.db2.gz AJECJEKXBATJJI-CYBMUJFWSA-N 1 0 278.396 2.223 10 0 CEAERO CCc1nn(-c2cc[nH+]cc2)c(CC)c1CC(=O)OC ZINC000092308151 180361271 /nfs/dbraw/zinc/36/12/71/180361271.db2.gz DSCVFUYZEGKTPR-UHFFFAOYSA-N 1 0 273.336 2.108 10 0 CEAERO CC(C)c1nc2n(n1)C[C@H]([NH2+]Cc1ccco1)CC2 ZINC000105908105 186087639 /nfs/dbraw/zinc/08/76/39/186087639.db2.gz OJHHLZLWZUMDKU-LLVKDONJSA-N 1 0 260.341 2.099 10 0 CEAERO CC(C)OCCC[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105909949 186088653 /nfs/dbraw/zinc/08/86/53/186088653.db2.gz BCANXVJRFIADEZ-UHFFFAOYSA-N 1 0 278.400 2.168 10 0 CEAERO C[NH2+]CCCc1c(C)nn(-c2nc(C)cc(C)n2)c1C ZINC000092320495 180361740 /nfs/dbraw/zinc/36/17/40/180361740.db2.gz XXUSBSLFYSCBIC-UHFFFAOYSA-N 1 0 273.384 2.048 10 0 CEAERO Cc1cnn([C@H]2CCC[N@H+](C[C@H](O)COC(C)(C)C)C2)c1 ZINC000105923516 186090954 /nfs/dbraw/zinc/09/09/54/186090954.db2.gz MZSLGBDUESFBRE-GJZGRUSLSA-N 1 0 295.427 2.004 10 0 CEAERO CCC[C@@H](CC[NH3+])CCC(=O)NCc1c(C)nn(C)c1C ZINC000092328481 180363110 /nfs/dbraw/zinc/36/31/10/180363110.db2.gz DEUOOWZTGBRDDQ-CQSZACIVSA-N 1 0 294.443 2.198 10 0 CEAERO CC[C@@H]1CN(Cc2ccc(F)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000106101648 186101732 /nfs/dbraw/zinc/10/17/32/186101732.db2.gz JZVFCYNWBUCZGI-CZUORRHYSA-N 1 0 280.387 2.103 10 0 CEAERO Cc1noc(C)c1CN1C[C@](C)(C2CC2)[NH2+]C[C@@H]1C ZINC000092342888 180366461 /nfs/dbraw/zinc/36/64/61/180366461.db2.gz WBABKOQXCWXLAH-ZUZCIYMTSA-N 1 0 263.385 2.254 10 0 CEAERO CC[C@H]1CN(Cc2c(C)noc2C)[C@H](C(C)C)C[NH2+]1 ZINC000092342628 180366637 /nfs/dbraw/zinc/36/66/37/180366637.db2.gz VKHCIJTWCBENKZ-ZFWWWQNUSA-N 1 0 265.401 2.500 10 0 CEAERO CC[C@H]1C[NH2+]CCN1Cc1ccnc2ccccc12 ZINC000092348591 180367555 /nfs/dbraw/zinc/36/75/55/180367555.db2.gz VIJJYTSARSZJQE-AWEZNQCLSA-N 1 0 255.365 2.419 10 0 CEAERO C[C@@H]1CCC[C@H](C[NH3+])N1Cc1cccc(Cl)n1 ZINC000092366795 180368802 /nfs/dbraw/zinc/36/88/02/180368802.db2.gz DGFAZOLZRBBHRZ-ZYHUDNBSSA-N 1 0 253.777 2.437 10 0 CEAERO COc1ccc2c(c1)[C@@]([NH3+])(Cc1cc(C)nn1C)CCC2 ZINC000092367191 180369311 /nfs/dbraw/zinc/36/93/11/180369311.db2.gz NWGJFQBNXWCWTE-KRWDZBQOSA-N 1 0 285.391 2.470 10 0 CEAERO CCC(CC)N(CCOC)Cc1cccc(NN)[nH+]1 ZINC000092369691 180370473 /nfs/dbraw/zinc/37/04/73/180370473.db2.gz XAIYOSLPFKTOKY-UHFFFAOYSA-N 1 0 266.389 2.004 10 0 CEAERO CCCCN(C)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106429405 186116312 /nfs/dbraw/zinc/11/63/12/186116312.db2.gz MBSBMTKUXJUTAS-OAHLLOKOSA-N 1 0 262.397 2.418 10 0 CEAERO Cc1cnn([C@@H]2CCC[N@H+](C[C@@H]3CCCCO3)C2)c1 ZINC000105899595 186085484 /nfs/dbraw/zinc/08/54/84/186085484.db2.gz BJZZGMDOJLFALQ-CABCVRRESA-N 1 0 263.385 2.398 10 0 CEAERO COc1cc(-c2nc(C(C)(C)C)cc(NN)[nH+]2)ccc1O ZINC000106865673 186144966 /nfs/dbraw/zinc/14/49/66/186144966.db2.gz WBJJQHZKBHKVOD-UHFFFAOYSA-N 1 0 288.351 2.441 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@@H](SCCCO)CC2 ZINC000092390235 180375166 /nfs/dbraw/zinc/37/51/66/180375166.db2.gz JUOZYVPQOSFFQJ-KBPBESRZSA-N 1 0 267.394 2.125 10 0 CEAERO C[NH2+][C@@H]1c2cc(OC)ccc2CC[C@H]1Sc1nc[nH]n1 ZINC000092389669 180375657 /nfs/dbraw/zinc/37/56/57/180375657.db2.gz GYLSXKYEFABFMN-CHWSQXEVSA-N 1 0 290.392 2.181 10 0 CEAERO CCn1c(C[NH2+][C@@H](CO)C(C)C)nc2ccccc21 ZINC000092393070 180375974 /nfs/dbraw/zinc/37/59/74/180375974.db2.gz CXQOBZBESJJGHL-ZDUSSCGKSA-N 1 0 261.369 2.163 10 0 CEAERO CC[C@@H]1CN(Cc2cccc(C)n2)[C@H](C2CC2)C[NH2+]1 ZINC000092433399 180384045 /nfs/dbraw/zinc/38/40/45/180384045.db2.gz LVGNTMBVZFFMBO-ZBFHGGJFSA-N 1 0 259.397 2.352 10 0 CEAERO C[C@@H]([NH3+])[C@H]1CCCN(Cc2cc(Cl)ccn2)C1 ZINC000092417259 180381135 /nfs/dbraw/zinc/38/11/35/180381135.db2.gz ZAWDPYYPCKWSHD-MNOVXSKESA-N 1 0 253.777 2.294 10 0 CEAERO CCCNc1cc[nH+]c(CN2CCC[C@H]2C(=O)OCC)c1 ZINC000092418334 180381187 /nfs/dbraw/zinc/38/11/87/180381187.db2.gz UYHZQEAQRZSHSH-HNNXBMFYSA-N 1 0 291.395 2.431 10 0 CEAERO CNc1cc[nH+]c(CSc2nnnn2-c2ccccc2)c1 ZINC000092420849 180382770 /nfs/dbraw/zinc/38/27/70/180382770.db2.gz VODVLQOSLOPMAY-UHFFFAOYSA-N 1 0 298.375 2.391 10 0 CEAERO COc1ccc2c(c1)[C@H](N)[C@H]([NH+]1CCCCC1)CC2 ZINC000092385225 180373751 /nfs/dbraw/zinc/37/37/51/180373751.db2.gz VKDIWLCSYLYWPX-CVEARBPZSA-N 1 0 260.381 2.496 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@H](N1CCOC(C)(C)C1)CC2 ZINC000092385600 180374124 /nfs/dbraw/zinc/37/41/24/180374124.db2.gz QMVNIVMBBJAHJU-CVEARBPZSA-N 1 0 290.407 2.121 10 0 CEAERO CC[NH2+][C@@H]1c2cc(OC)ccc2CC[C@H]1n1cncn1 ZINC000092386015 180374193 /nfs/dbraw/zinc/37/41/93/180374193.db2.gz HBDKNCLRJNAEAU-HUUCEWRRSA-N 1 0 272.352 2.125 10 0 CEAERO CCOc1cc(C)c(CN(C)CC[NH3+])cc1Cl ZINC000107296398 186167629 /nfs/dbraw/zinc/16/76/29/186167629.db2.gz GTHRBSQEUNFRGF-UHFFFAOYSA-N 1 0 256.777 2.438 10 0 CEAERO Cc1cccc(CN2C[C@@H](C)[NH2+]C[C@@]2(C)C2CC2)n1 ZINC000092433195 180384331 /nfs/dbraw/zinc/38/43/31/180384331.db2.gz YMYHRJXITIFGDL-CJNGLKHVSA-N 1 0 259.397 2.352 10 0 CEAERO CCCN1C(=O)C[C@@H]([NH2+][C@@H]2CCCc3ccccc32)C1=O ZINC000106924446 186151385 /nfs/dbraw/zinc/15/13/85/186151385.db2.gz ZRGXPNWCQFQMKO-HUUCEWRRSA-N 1 0 286.375 2.191 10 0 CEAERO COc1ccc(-c2cn3c(n2)[C@@H](C)C[C@@H]([NH3+])C3)c(OC)c1 ZINC000107827918 186194387 /nfs/dbraw/zinc/19/43/87/186194387.db2.gz AOIHRCYHBNWWSN-WDEREUQCSA-N 1 0 287.363 2.402 10 0 CEAERO CC(C)[N@H+](C)CCn1c2ccncc2[nH]c1=S ZINC000092514595 180399495 /nfs/dbraw/zinc/39/94/95/180399495.db2.gz FTUGXBVBTIOLJM-UHFFFAOYSA-N 1 0 250.371 2.434 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2csc(-c3ccoc3)n2)C1 ZINC000108270532 186210038 /nfs/dbraw/zinc/21/00/38/186210038.db2.gz JQVVZQJITODOAH-LLVKDONJSA-N 1 0 291.376 2.179 10 0 CEAERO CCC[C@H]([NH2+]CC(C)(C)NS(C)(=O)=O)c1ccccc1 ZINC000109041622 186241347 /nfs/dbraw/zinc/24/13/47/186241347.db2.gz LPKCMRAYZCWYEE-AWEZNQCLSA-N 1 0 298.452 2.445 10 0 CEAERO C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109093995 186243157 /nfs/dbraw/zinc/24/31/57/186243157.db2.gz RYZRXIMMWUGEHG-JHJVBQTASA-N 1 0 294.345 2.279 10 0 CEAERO CCNc1ccc(CN(C)C[C@@H]2CCC[N@@H+]2C)cn1 ZINC000092669300 180427565 /nfs/dbraw/zinc/42/75/65/180427565.db2.gz GPYFBDYKNDHYTH-AWEZNQCLSA-N 1 0 262.401 2.039 10 0 CEAERO CSC[C@H](C)C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000108959174 186238406 /nfs/dbraw/zinc/23/84/06/186238406.db2.gz GDRIMGYSSLVHQX-GXTWGEPZSA-N 1 0 280.437 2.405 10 0 CEAERO CC[NH2+][C@H](C)[C@H](CC)c1nc(-c2ncccn2)no1 ZINC000109505416 186257459 /nfs/dbraw/zinc/25/74/59/186257459.db2.gz BICAGNXHQUKRCF-ZJUUUORDSA-N 1 0 261.329 2.018 10 0 CEAERO C[NH2+][C@H](C)CCc1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000109505701 186257494 /nfs/dbraw/zinc/25/74/94/186257494.db2.gz VUAPXGSHXAJLQD-SNVBAGLBSA-N 1 0 291.351 2.294 10 0 CEAERO CC[NH2+][C@@H](COC)Cc1nc(-c2ccc(F)cc2)no1 ZINC000109502693 186257590 /nfs/dbraw/zinc/25/75/90/186257590.db2.gz OADHSKSQSKGFEU-GFCCVEGCSA-N 1 0 279.315 2.043 10 0 CEAERO CCC[NH2+][C@@H](C)[C@H](CC)c1nc(-c2ncccn2)no1 ZINC000109505428 186257843 /nfs/dbraw/zinc/25/78/43/186257843.db2.gz XDSAEHKMMHCPKS-QWRGUYRKSA-N 1 0 275.356 2.408 10 0 CEAERO Cc1csc(Cc2noc([C@H]3CCC[C@H]3[NH3+])n2)n1 ZINC000109510913 186258374 /nfs/dbraw/zinc/25/83/74/186258374.db2.gz WYRLKOCELVUJRP-DTWKUNHWSA-N 1 0 264.354 2.020 10 0 CEAERO CCC[NH2+][C@H](Cc1nc(-c2cnccn2)no1)C(C)C ZINC000109507181 186258545 /nfs/dbraw/zinc/25/85/45/186258545.db2.gz CTTJYHHLTOSVOU-LLVKDONJSA-N 1 0 275.356 2.093 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1c1nc(Cc2cccnc2)no1 ZINC000109510579 186258604 /nfs/dbraw/zinc/25/86/04/186258604.db2.gz YPQUQKZMRXTWPS-NEPJUHHUSA-N 1 0 258.325 2.040 10 0 CEAERO CCC[C@H](Cc1nc(-c2ncccc2C)no1)[NH2+]C ZINC000109519142 186258862 /nfs/dbraw/zinc/25/88/62/186258862.db2.gz BWMYQTGJHXVJKW-LLVKDONJSA-N 1 0 260.341 2.371 10 0 CEAERO CC[NH2+][C@H]1CCCCC[C@H]1c1nc(COC)no1 ZINC000109518847 186259430 /nfs/dbraw/zinc/25/94/30/186259430.db2.gz CFJCLCGCEJCFHX-MNOVXSKESA-N 1 0 253.346 2.242 10 0 CEAERO CCC[NH2+][C@@H](C)CCc1nc(COCCC)no1 ZINC000109519839 186259537 /nfs/dbraw/zinc/25/95/37/186259537.db2.gz PVPYZOHGCOPWME-NSHDSACASA-N 1 0 255.362 2.317 10 0 CEAERO CC(C)[C@@H]([NH3+])Cc1nc(CCc2ccccc2)no1 ZINC000109515517 186259569 /nfs/dbraw/zinc/25/95/69/186259569.db2.gz PKMJJGDLISBRAY-ZDUSSCGKSA-N 1 0 259.353 2.381 10 0 CEAERO CCNC(=O)c1ccc(N)c(NCC(C)(C)C[NH+](C)C)c1 ZINC000109534766 186260072 /nfs/dbraw/zinc/26/00/72/186260072.db2.gz IUYOKLSPUIJEAY-UHFFFAOYSA-N 1 0 292.427 2.018 10 0 CEAERO CCNC(=O)c1ccc(N)c(N[C@H](C[NH+](C)C)C(C)C)c1 ZINC000109537066 186260757 /nfs/dbraw/zinc/26/07/57/186260757.db2.gz MEFRTNWAEWIRRM-OAHLLOKOSA-N 1 0 292.427 2.017 10 0 CEAERO Clc1ccc2c(c1)nccc2NC[C@@H]1COCC[NH2+]1 ZINC000236051213 539803392 /nfs/dbraw/zinc/80/33/92/539803392.db2.gz UHWAJQKULJJXNA-LLVKDONJSA-N 1 0 277.755 2.289 10 0 CEAERO C[NH2+][C@H]1C(=O)Nc2cc(-n3ccc(C(C)C)n3)ccc21 ZINC000109573241 186263620 /nfs/dbraw/zinc/26/36/20/186263620.db2.gz XHCPSQKHGRNAAV-CQSZACIVSA-N 1 0 270.336 2.208 10 0 CEAERO C[NH2+]Cc1cc(OC[C@H]2CCOC2)c2ccccc2n1 ZINC000109590754 186264770 /nfs/dbraw/zinc/26/47/70/186264770.db2.gz OXZQFHLZKGFCNG-LBPRGKRZSA-N 1 0 272.348 2.370 10 0 CEAERO CCC[N@H+](Cc1ccc(C(=O)[O-])s1)C1CC[NH2+]CC1 ZINC000109601676 186266452 /nfs/dbraw/zinc/26/64/52/186266452.db2.gz OSRNJYIYJPZKAN-UHFFFAOYSA-N 1 0 282.409 2.410 10 0 CEAERO COc1cccc(NC(=S)N2CCC[C@H]2C[NH+](C)C)c1 ZINC000109671020 186268288 /nfs/dbraw/zinc/26/82/88/186268288.db2.gz PUVVBAQDSSLRBA-ZDUSSCGKSA-N 1 0 293.436 2.418 10 0 CEAERO CC[NH2+][C@@H]1CCOC[C@H]1N(CCC(C)C)C1CC1 ZINC000109623876 186268676 /nfs/dbraw/zinc/26/86/76/186268676.db2.gz SFCBWSFGRSGXNE-HUUCEWRRSA-N 1 0 254.418 2.264 10 0 CEAERO CCOC(=O)CN(CC)[C@@H]1C[C@@H](CC)CC[C@@H]1C[NH3+] ZINC000109684842 186269052 /nfs/dbraw/zinc/26/90/52/186269052.db2.gz QWGIEUKGWCOALL-BFHYXJOUSA-N 1 0 270.417 2.025 10 0 CEAERO COC(=O)c1ccccc1N(C)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000109684770 186269183 /nfs/dbraw/zinc/26/91/83/186269183.db2.gz FXBBBOGMLIOMRO-DGCLKSJQSA-N 1 0 262.353 2.037 10 0 CEAERO CC(C)CN(CC[NH+](C)C)Cc1c(N)cccc1F ZINC000109427684 186251302 /nfs/dbraw/zinc/25/13/02/186251302.db2.gz LTGAXRZUAJEPKY-UHFFFAOYSA-N 1 0 267.392 2.428 10 0 CEAERO CC[C@@H]([NH2+]CCc1nncn1C)c1ccc(F)cc1 ZINC000109421340 186251336 /nfs/dbraw/zinc/25/13/36/186251336.db2.gz GYXNXURFVLMBOI-CYBMUJFWSA-N 1 0 262.332 2.238 10 0 CEAERO Cn1cnnc1CC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000109420869 186251590 /nfs/dbraw/zinc/25/15/90/186251590.db2.gz KZGVBBJESLNPTH-UHFFFAOYSA-N 1 0 284.285 2.166 10 0 CEAERO Cn1cnnc1CC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000109422806 186252003 /nfs/dbraw/zinc/25/20/03/186252003.db2.gz JHMVPMXZHBYVND-OAHLLOKOSA-N 1 0 256.353 2.099 10 0 CEAERO FC(F)(F)CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCOC2)C1 ZINC000109430955 186252581 /nfs/dbraw/zinc/25/25/81/186252581.db2.gz UZKCNSKJKQQJOA-GMTAPVOTSA-N 1 0 267.291 2.255 10 0 CEAERO CCCC[C@@H](CC)C(=O)N1CCN([C@H](CC)C[NH3+])CC1 ZINC000109448780 186252762 /nfs/dbraw/zinc/25/27/62/186252762.db2.gz RQENNFJFXZSHQB-HUUCEWRRSA-N 1 0 283.460 2.084 10 0 CEAERO CCCc1cc(C)nc([C@H](CCC)N2CC[NH2+]CC2)n1 ZINC000109476031 186254662 /nfs/dbraw/zinc/25/46/62/186254662.db2.gz DAADPROXNRMOKI-HNNXBMFYSA-N 1 0 276.428 2.484 10 0 CEAERO C[C@@H](c1noc(-c2ccc(Cl)cc2)n1)N1CC[NH2+]CC1 ZINC000109473921 186254702 /nfs/dbraw/zinc/25/47/02/186254702.db2.gz WPCBHRIRMAFWQB-JTQLQIEISA-N 1 0 292.770 2.356 10 0 CEAERO CCC[C@H](C(N)=S)[NH+]1CCN(Cc2ccsc2)CC1 ZINC000109470151 186255044 /nfs/dbraw/zinc/25/50/44/186255044.db2.gz RFBSLLYDMXYACA-CYBMUJFWSA-N 1 0 297.493 2.321 10 0 CEAERO CCC[C@H](c1nc(C)cc(CC)n1)N1CC[NH2+]CC1 ZINC000109476025 186255184 /nfs/dbraw/zinc/25/51/84/186255184.db2.gz GTCJJDLRDHXSNG-CQSZACIVSA-N 1 0 262.401 2.094 10 0 CEAERO CCOC(=O)[C@H](C)n1nc(C)c(C[NH2+]C(C)C)c1C ZINC000110118798 186286096 /nfs/dbraw/zinc/28/60/96/186286096.db2.gz MDLZAEBAJOGIEY-LBPRGKRZSA-N 1 0 267.373 2.122 10 0 CEAERO CCC[C@H]([NH3+])Cc1nc(-c2ccccc2OC)no1 ZINC000110444818 186296600 /nfs/dbraw/zinc/29/66/00/186296600.db2.gz QVYLEBMDQBWDCK-JTQLQIEISA-N 1 0 261.325 2.415 10 0 CEAERO CCC[C@@H]([NH3+])Cc1nc(-c2cccc(OC)c2)no1 ZINC000110444827 186296676 /nfs/dbraw/zinc/29/66/76/186296676.db2.gz DHVFAHNUXDUHJU-LLVKDONJSA-N 1 0 261.325 2.415 10 0 CEAERO CCCOCc1noc(C[C@H](CCC)[NH2+]CC)n1 ZINC000110445019 186296744 /nfs/dbraw/zinc/29/67/44/186296744.db2.gz AXCSCLHIXIUFSB-NSHDSACASA-N 1 0 255.362 2.317 10 0 CEAERO CCC[C@H](Cc1nc(-c2ccncc2)no1)[NH2+]CC ZINC000110461192 186297013 /nfs/dbraw/zinc/29/70/13/186297013.db2.gz HBVCILSPNJYNSY-GFCCVEGCSA-N 1 0 260.341 2.452 10 0 CEAERO Cc1cccc(-c2nc(C)cc(C[NH2+]C3CC3)n2)n1 ZINC000110475770 186297851 /nfs/dbraw/zinc/29/78/51/186297851.db2.gz PIDHNAMPDZFECJ-UHFFFAOYSA-N 1 0 254.337 2.407 10 0 CEAERO Cc1cccc(-c2noc([C@H]3CCCC[C@@H]3[NH3+])n2)n1 ZINC000110476069 186298428 /nfs/dbraw/zinc/29/84/28/186298428.db2.gz RZJLZDUROKGGTC-QWRGUYRKSA-N 1 0 258.325 2.425 10 0 CEAERO Clc1ccc(O[C@H]2CCOC2)nc1C[NH2+]C1CC1 ZINC000110532625 186301921 /nfs/dbraw/zinc/30/19/21/186301921.db2.gz FXVVVRJQKGANSM-JTQLQIEISA-N 1 0 268.744 2.155 10 0 CEAERO C[NH2+][C@@H](C)c1cccc(NC(=O)Nc2ncc[nH]2)c1 ZINC000110539007 186302497 /nfs/dbraw/zinc/30/24/97/186302497.db2.gz ZNRCVISYGXHYAS-VIFPVBQESA-N 1 0 259.313 2.334 10 0 CEAERO CCCCOCCNC(=O)CC1CCC(C[NH3+])CC1 ZINC000110617899 186305370 /nfs/dbraw/zinc/30/53/70/186305370.db2.gz PPUPWGUQBJYAIK-UHFFFAOYSA-N 1 0 270.417 2.075 10 0 CEAERO COc1cc2c(cc1F)[nH]c(=S)n2C[C@H]1CC[N@H+](C)C1 ZINC000110628575 186306249 /nfs/dbraw/zinc/30/62/49/186306249.db2.gz LTCZOFBWJHULBC-VIFPVBQESA-N 1 0 295.383 2.424 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CNc1cc(OC)c(F)cc1N ZINC000110625641 186306977 /nfs/dbraw/zinc/30/69/77/186306977.db2.gz JXZJZEQXVLXODW-JTQLQIEISA-N 1 0 267.348 2.313 10 0 CEAERO COc1cc2c(cc1F)[nH+]c(N)n2[C@@H]1CCCC[C@@H]1O ZINC000110630107 186307210 /nfs/dbraw/zinc/30/72/10/186307210.db2.gz OZTGHTJSKGNJFQ-PWSUYJOCSA-N 1 0 279.315 2.242 10 0 CEAERO COc1ccc(CNCC[NH+](C)C)c(Cl)c1OC ZINC000110818942 186327864 /nfs/dbraw/zinc/32/78/64/186327864.db2.gz PJYUIDTYPDVDBL-UHFFFAOYSA-N 1 0 272.776 2.008 10 0 CEAERO NNc1ccc(Cl)c(COc2ccccc2CO)[nH+]1 ZINC000110995212 186341297 /nfs/dbraw/zinc/34/12/97/186341297.db2.gz GEVSXMVRRSKDCU-UHFFFAOYSA-N 1 0 279.727 2.092 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1cnccn1)c1ccccn1 ZINC000110913083 186332648 /nfs/dbraw/zinc/33/26/48/186332648.db2.gz LKGZQCMMLRFRRP-GXFFZTMASA-N 1 0 260.366 2.442 10 0 CEAERO C[C@H](CCc1ccc2c(c1)OCO2)N(C)[C@@H]1CCC[NH2+]C1 ZINC000110925832 186333094 /nfs/dbraw/zinc/33/30/94/186333094.db2.gz VFTGVLXLGJHSKM-UKRRQHHQSA-N 1 0 290.407 2.420 10 0 CEAERO Cc1ccc(Cl)cc1NC(=O)CN(C)[C@@H]1CCC[NH2+]C1 ZINC000110929849 186333188 /nfs/dbraw/zinc/33/31/88/186333188.db2.gz FMDHAXCGOHDEEA-CYBMUJFWSA-N 1 0 295.814 2.271 10 0 CEAERO CCCS(=O)(=O)c1ccc(N(C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000110932967 186333322 /nfs/dbraw/zinc/33/33/22/186333322.db2.gz NKUAKELKQXDZIH-CQSZACIVSA-N 1 0 296.436 2.059 10 0 CEAERO Cc1ccc(NC(=O)CN(C)[C@H]2CCC[NH2+]C2)cc1Cl ZINC000110930448 186333327 /nfs/dbraw/zinc/33/33/27/186333327.db2.gz UYAXJSMWBXHQRF-ZDUSSCGKSA-N 1 0 295.814 2.271 10 0 CEAERO CN(Cc1nc(-c2ccc(F)cc2)no1)[C@@H]1CCC[NH2+]C1 ZINC000110931994 186333433 /nfs/dbraw/zinc/33/34/33/186333433.db2.gz AFTLRUIMSVTWLM-CYBMUJFWSA-N 1 0 290.342 2.060 10 0 CEAERO CN(Cc1ncc(C(C)(C)C)o1)[C@H]1CCC[NH2+]C1 ZINC000110929199 186333525 /nfs/dbraw/zinc/33/35/25/186333525.db2.gz NFGGVDWOXBUNDP-NSHDSACASA-N 1 0 251.374 2.156 10 0 CEAERO CN(C(=O)c1ccc(Cl)cc1F)[C@H]1CCC[NH2+]C1 ZINC000110927281 186333909 /nfs/dbraw/zinc/33/39/09/186333909.db2.gz MHHKMFCJZBWEQH-JTQLQIEISA-N 1 0 270.735 2.303 10 0 CEAERO C[C@H]([NH3+])[C@H](Oc1ccccc1CO)c1ccccn1 ZINC000110993188 186341384 /nfs/dbraw/zinc/34/13/84/186341384.db2.gz FMTMYSHYIASJLD-NHYWBVRUSA-N 1 0 258.321 2.041 10 0 CEAERO CCN(Cc1nc(-c2ccccc2)no1)[C@H]1CCC[NH2+]C1 ZINC000110942817 186334494 /nfs/dbraw/zinc/33/44/94/186334494.db2.gz TUHHHZXFGFZYMN-AWEZNQCLSA-N 1 0 286.379 2.311 10 0 CEAERO Cc1ccc(-n2c(CC[NH3+])nc3ccccc32)nc1 ZINC000110949101 186335157 /nfs/dbraw/zinc/33/51/57/186335157.db2.gz OXUXZAQAJLGBLI-UHFFFAOYSA-N 1 0 252.321 2.230 10 0 CEAERO CC(C)([NH3+])CCc1nc(Cc2nc3ccccc3[nH]2)no1 ZINC000110949356 186335628 /nfs/dbraw/zinc/33/56/28/186335628.db2.gz WXNIIFUWBAKBJL-UHFFFAOYSA-N 1 0 285.351 2.207 10 0 CEAERO CCCNC(=O)COc1cc(C)ccc1[C@H](C)[NH2+]C ZINC000110959564 186336238 /nfs/dbraw/zinc/33/62/38/186336238.db2.gz MIWSHKKSNHYJGX-LBPRGKRZSA-N 1 0 264.369 2.180 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(C)cc1OCC(=O)NC(C)C ZINC000110959320 186336918 /nfs/dbraw/zinc/33/69/18/186336918.db2.gz GBKMZTVAVCHNOO-LBPRGKRZSA-N 1 0 264.369 2.179 10 0 CEAERO CCNC(=O)COc1cc(C)ccc1[C@@H](C)[NH2+]CC ZINC000110961371 186337856 /nfs/dbraw/zinc/33/78/56/186337856.db2.gz QTMMGYWNOFYPHD-GFCCVEGCSA-N 1 0 264.369 2.180 10 0 CEAERO NC(=[NH2+])c1ccc(COc2ccccc2CO)c(F)c1 ZINC000110993786 186341503 /nfs/dbraw/zinc/34/15/03/186341503.db2.gz QPSYOJBNRLJOEL-UHFFFAOYSA-N 1 0 274.295 2.181 10 0 CEAERO CC[C@H]([NH3+])[C@H](Oc1ccccc1CO)c1ccncc1 ZINC000110992665 186340427 /nfs/dbraw/zinc/34/04/27/186340427.db2.gz PNWRZBJHTPTSOI-GOEBONIOSA-N 1 0 272.348 2.431 10 0 CEAERO Cc1cc2c(N[C@@H](C[NH3+])C3CCCCC3)nccn2n1 ZINC000129929131 187461190 /nfs/dbraw/zinc/46/11/90/187461190.db2.gz NQDULLJHBKMRHO-ZDUSSCGKSA-N 1 0 273.384 2.357 10 0 CEAERO C[C@@H]1C[N@@H+]([C@@H](CC(N)=S)c2ccccc2)CCN1C ZINC000110719676 186315475 /nfs/dbraw/zinc/31/54/75/186315475.db2.gz GMNIGOYEDWFTFN-OCCSQVGLSA-N 1 0 277.437 2.040 10 0 CEAERO CC[C@@H]1CN(CCC(=O)c2ccc(F)cc2)CC[N@@H+]1C ZINC000110728749 186317169 /nfs/dbraw/zinc/31/71/69/186317169.db2.gz HWKUEELCPWKZFC-OAHLLOKOSA-N 1 0 278.371 2.425 10 0 CEAERO CCOC(=O)c1cc(C)sc1NC(=O)C1([NH3+])CCCC1 ZINC000110777796 186324128 /nfs/dbraw/zinc/32/41/28/186324128.db2.gz DHCFLONVRCCGEC-UHFFFAOYSA-N 1 0 296.392 2.443 10 0 CEAERO CCOC(CCN1CC[C@@H]([NH+](CC)CC)C1)OCC ZINC000110786058 186324519 /nfs/dbraw/zinc/32/45/19/186324519.db2.gz IRZAEGZDJMIPML-CQSZACIVSA-N 1 0 272.433 2.192 10 0 CEAERO CCOC(CC[N@@H+]1CCO[C@H]2CCCC[C@@H]21)OCC ZINC000110785387 186324767 /nfs/dbraw/zinc/32/47/67/186324767.db2.gz GFOMRJPXCLQPLE-KBPBESRZSA-N 1 0 271.401 2.419 10 0 CEAERO CN([C@@H](C[NH3+])c1cccc(F)c1F)C1CCOCC1 ZINC000111039322 186346863 /nfs/dbraw/zinc/34/68/63/186346863.db2.gz NWNYACGFJABKLD-ZDUSSCGKSA-N 1 0 270.323 2.075 10 0 CEAERO Cc1c[nH+]ccc1N[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000111042872 186347732 /nfs/dbraw/zinc/34/77/32/186347732.db2.gz WLBRGPZTJHKLNW-CQSZACIVSA-N 1 0 281.315 2.134 10 0 CEAERO CCOc1cc(OC2CC[NH+](C)CC2)ccc1N ZINC000111057906 186349624 /nfs/dbraw/zinc/34/96/24/186349624.db2.gz VQOLDSUOBZXUQR-UHFFFAOYSA-N 1 0 250.342 2.141 10 0 CEAERO CNc1ccc(Cl)cc1C(=O)N(C)CC[NH+](C)C ZINC000111151421 186360886 /nfs/dbraw/zinc/36/08/86/186360886.db2.gz QTOUBAABNGDOGV-UHFFFAOYSA-N 1 0 269.776 2.015 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2C[C@H]1N(C)C[C@@H]1CCCOC1 ZINC000111160798 186362029 /nfs/dbraw/zinc/36/20/29/186362029.db2.gz BRUQOLGZPKGCMP-IAOVAPTHSA-N 1 0 274.408 2.230 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N(C)C[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000111088712 186351992 /nfs/dbraw/zinc/35/19/92/186351992.db2.gz KRJYDVQODFDNHS-YNEHKIRRSA-N 1 0 252.402 2.269 10 0 CEAERO CCCOCCOC[C@@H]([NH2+]C)c1ccc(OC)cc1 ZINC000111107904 186352627 /nfs/dbraw/zinc/35/26/27/186352627.db2.gz IJYPJNKPUKINBV-OAHLLOKOSA-N 1 0 267.369 2.399 10 0 CEAERO CN(C[C@H]1C[C@H]2CC[C@@H]1C2)C(=O)C[C@@H]1CCCC[NH2+]1 ZINC000111092177 186352792 /nfs/dbraw/zinc/35/27/92/186352792.db2.gz JOAQEEFNWSCRDC-YJNKXOJESA-N 1 0 264.413 2.413 10 0 CEAERO CCCOCCOc1cnc(C(C)C)nc1C[NH2+]C ZINC000111110944 186354102 /nfs/dbraw/zinc/35/41/02/186354102.db2.gz GKABPLMDXYJWTG-UHFFFAOYSA-N 1 0 267.373 2.125 10 0 CEAERO CCOCCN(CC)C[C@](C)([NH3+])c1ccccc1 ZINC000111125493 186354616 /nfs/dbraw/zinc/35/46/16/186354616.db2.gz RENCKRPHKVQXOV-HNNXBMFYSA-N 1 0 250.386 2.219 10 0 CEAERO CCc1ccc([C@@H](O)CN(C)CCC[NH+](C)C)cc1 ZINC000111143900 186358981 /nfs/dbraw/zinc/35/89/81/186358981.db2.gz QDFHJQFRUCUHAW-INIZCTEOSA-N 1 0 264.413 2.166 10 0 CEAERO Cc1ccc([C@@H](CN)[N@H+](C)C[C@@H]2CCCOC2)cc1 ZINC000111155100 186359713 /nfs/dbraw/zinc/35/97/13/186359713.db2.gz UQXQKMODCOTKSE-GOEBONIOSA-N 1 0 262.397 2.353 10 0 CEAERO CN(C[C@@H]1CCCOC1)[C@@H](C[NH3+])c1cccs1 ZINC000111154799 186360308 /nfs/dbraw/zinc/36/03/08/186360308.db2.gz QZGAGPLUSZUKAG-RYUDHWBXSA-N 1 0 254.399 2.106 10 0 CEAERO C[N@@H+](Cc1ccc(C(N)=S)cc1)C[C@H]1CCCOC1 ZINC000111163111 186364216 /nfs/dbraw/zinc/36/42/16/186364216.db2.gz OJAMSGYLCHIVIT-CYBMUJFWSA-N 1 0 278.421 2.179 10 0 CEAERO CCOc1ccc([C@H](N)C[N@H+](C)CC2CCOCC2)cc1 ZINC000111161485 186364231 /nfs/dbraw/zinc/36/42/31/186364231.db2.gz NOPGIYZYPDHYSV-QGZVFWFLSA-N 1 0 292.423 2.444 10 0 CEAERO CN(CC1CCOCC1)C(=O)C1(C[NH3+])CCCCCC1 ZINC000111165846 186364393 /nfs/dbraw/zinc/36/43/93/186364393.db2.gz HRODJBVJDDUOQX-UHFFFAOYSA-N 1 0 282.428 2.171 10 0 CEAERO CN(CC[NH2+]C1CCCCC1)CC1CCOCC1 ZINC000111176819 186364604 /nfs/dbraw/zinc/36/46/04/186364604.db2.gz CDYKHXXXRBYCJN-UHFFFAOYSA-N 1 0 254.418 2.267 10 0 CEAERO C[N@@H+](Cc1nc2sccc2c(N)n1)C[C@@H]1CCCOC1 ZINC000111170673 186364832 /nfs/dbraw/zinc/36/48/32/186364832.db2.gz MBDJCECMTKRUEY-JTQLQIEISA-N 1 0 292.408 2.132 10 0 CEAERO CN(CC[NH2+]CCc1cccs1)CC1CCOCC1 ZINC000111176802 186365053 /nfs/dbraw/zinc/36/50/53/186365053.db2.gz VORPQQWITRUJFH-UHFFFAOYSA-N 1 0 282.453 2.239 10 0 CEAERO C[C@@H]1CCC(=O)[C@H](C[N@H+](C)CC2CCOCC2)C1 ZINC000111171282 186365442 /nfs/dbraw/zinc/36/54/42/186365442.db2.gz UCJOPVKJOUCPAQ-OCCSQVGLSA-N 1 0 253.386 2.350 10 0 CEAERO O=C(c1ccc2c(c1)COC2)N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000111306349 186394825 /nfs/dbraw/zinc/39/48/25/186394825.db2.gz FZGSKHRBDFDXGJ-HOTGVXAUSA-N 1 0 286.375 2.073 10 0 CEAERO CN(C)c1nnc(SCc2cc(C[NH3+])ccc2F)s1 ZINC000111316272 186396042 /nfs/dbraw/zinc/39/60/42/186396042.db2.gz QDGFDCZROIYJRY-UHFFFAOYSA-N 1 0 298.412 2.494 10 0 CEAERO CCCC[NH2+]C[C@H](C)Sc1nnc(N(C)C)s1 ZINC000111317156 186396168 /nfs/dbraw/zinc/39/61/68/186396168.db2.gz VNNFECBXWFPFOC-VIFPVBQESA-N 1 0 274.459 2.474 10 0 CEAERO C[NH2+][C@@H](c1nc2c(s1)CCC2)[C@H]1CCCOC1 ZINC000111322189 186397425 /nfs/dbraw/zinc/39/74/25/186397425.db2.gz QQDFSGAMSFGOEU-JOYOIKCWSA-N 1 0 252.383 2.319 10 0 CEAERO CN(Cc1ccncc1)C[C@@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111325727 186398785 /nfs/dbraw/zinc/39/87/85/186398785.db2.gz MHXPEGITUPBHQP-KRWDZBQOSA-N 1 0 289.423 2.062 10 0 CEAERO C[NH2+]C[C@@]1(CN(C)c2ccccc2OC)CCCOC1 ZINC000111327068 186398974 /nfs/dbraw/zinc/39/89/74/186398974.db2.gz YKCMLPQGTXGNGW-MRXNPFEDSA-N 1 0 278.396 2.148 10 0 CEAERO COc1cccc(N(CC[NH3+])Cc2ccccc2)n1 ZINC000111236585 186373692 /nfs/dbraw/zinc/37/36/92/186373692.db2.gz DPKOBUWXLOMTFI-UHFFFAOYSA-N 1 0 257.337 2.056 10 0 CEAERO Oc1ccc(-c2noc([C@]3(C(F)(F)F)CC[NH2+]C3)n2)cc1 ZINC000111240755 186374958 /nfs/dbraw/zinc/37/49/58/186374958.db2.gz JOTRFMNQDWHXTR-LBPRGKRZSA-N 1 0 299.252 2.236 10 0 CEAERO O=C(Nc1ccc(Cl)cn1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111243414 186374988 /nfs/dbraw/zinc/37/49/88/186374988.db2.gz IEEIEBGWPRAOHX-JTQLQIEISA-N 1 0 293.676 2.216 10 0 CEAERO Cc1cccnc1-c1noc([C@@]2(C(F)(F)F)CC[NH2+]C2)n1 ZINC000111240920 186375226 /nfs/dbraw/zinc/37/52/26/186375226.db2.gz IEAFPMGQNDQYQO-GFCCVEGCSA-N 1 0 298.268 2.233 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)OCc1ccccc1Cl ZINC000111257497 186379329 /nfs/dbraw/zinc/37/93/29/186379329.db2.gz XQCUJIHEPJREGP-MWLCHTKSSA-N 1 0 253.729 2.239 10 0 CEAERO COc1ccccc1-c1noc([C@@H]2C[NH2+]C[C@@H]2C)n1 ZINC000111256391 186379512 /nfs/dbraw/zinc/37/95/12/186379512.db2.gz CLRLLJMXZOZMTL-GXSJLCMTSA-N 1 0 259.309 2.068 10 0 CEAERO COc1ccc(-c2noc([C@H]3C[NH2+]C[C@H]3C)n2)cc1OC ZINC000111256444 186379535 /nfs/dbraw/zinc/37/95/35/186379535.db2.gz ATLGOHMKGDOQPJ-KOLCDFICSA-N 1 0 289.335 2.077 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000111262880 186380246 /nfs/dbraw/zinc/38/02/46/186380246.db2.gz XUUMKJRYXZXOTB-LDYMZIIASA-N 1 0 272.270 2.499 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000111263000 186380935 /nfs/dbraw/zinc/38/09/35/186380935.db2.gz WEPBQGLAXQMSLY-BXKDBHETSA-N 1 0 286.297 2.177 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000111265302 186381125 /nfs/dbraw/zinc/38/11/25/186381125.db2.gz GLTCUVROEUOBII-BXKDBHETSA-N 1 0 285.347 2.499 10 0 CEAERO CCCOc1ccccc1NC(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000111265058 186381186 /nfs/dbraw/zinc/38/11/86/186381186.db2.gz SUDCJFQHACPKTI-RYUDHWBXSA-N 1 0 262.353 2.269 10 0 CEAERO CCN(CC)c1ccc(NC(=O)[C@@H]2C[NH2+]C[C@@H]2C)cc1 ZINC000111264949 186381784 /nfs/dbraw/zinc/38/17/84/186381784.db2.gz OPTBXMFEIPSYFX-SWLSCSKDSA-N 1 0 275.396 2.327 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CCC[C@@H]1c1ccccc1 ZINC000111264105 186381849 /nfs/dbraw/zinc/38/18/49/186381849.db2.gz QGQNIIJZHUJGQQ-VHDGCEQUSA-N 1 0 258.365 2.206 10 0 CEAERO COc1c(C)ccc(NC(=O)[C@H]2C[NH2+]C[C@H]2C)c1C ZINC000111264474 186382165 /nfs/dbraw/zinc/38/21/65/186382165.db2.gz DQTZDAYRTZAREP-PWSUYJOCSA-N 1 0 262.353 2.106 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000111266337 186382557 /nfs/dbraw/zinc/38/25/57/186382557.db2.gz LEMNCIMLZOGVTM-DFBGVHRSSA-N 1 0 258.365 2.109 10 0 CEAERO CC[C@H](C)c1noc([C@@H]2CCCN2C2CC[NH2+]CC2)n1 ZINC000111274511 186384907 /nfs/dbraw/zinc/38/49/07/186384907.db2.gz QPNXPWDLPFPRBY-AAEUAGOBSA-N 1 0 278.400 2.472 10 0 CEAERO CC[C@@H](C)c1noc([C@@H]2CCCN2C2CC[NH2+]CC2)n1 ZINC000111274510 186385853 /nfs/dbraw/zinc/38/58/53/186385853.db2.gz QPNXPWDLPFPRBY-YPMHNXCESA-N 1 0 278.400 2.472 10 0 CEAERO Cc1ccnc2[nH]c([C@H](C[NH3+])c3ccccc3)nc21 ZINC000111280094 186388585 /nfs/dbraw/zinc/38/85/85/186388585.db2.gz ODLHPYCPZFBNSZ-GFCCVEGCSA-N 1 0 252.321 2.357 10 0 CEAERO C[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(C[NH3+])cn1 ZINC000111282017 186388696 /nfs/dbraw/zinc/38/86/96/186388696.db2.gz GMFKWSNXGPCYGE-FZMZJTMJSA-N 1 0 261.369 2.191 10 0 CEAERO [NH3+]Cc1ccc(C(=O)Nc2cccc3cccnc32)nc1 ZINC000111281200 186389044 /nfs/dbraw/zinc/38/90/44/186389044.db2.gz AJOUXZCLMPLPMA-UHFFFAOYSA-N 1 0 278.315 2.341 10 0 CEAERO CC1CCC(CNC(=O)c2ccc(C[NH3+])cn2)CC1 ZINC000111282543 186390127 /nfs/dbraw/zinc/39/01/27/186390127.db2.gz ZMCLEWHVHPVXKK-UHFFFAOYSA-N 1 0 261.369 2.096 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc4[nH]ccc4c3)C[C@@H]2C1 ZINC000111288875 186390575 /nfs/dbraw/zinc/39/05/75/186390575.db2.gz AVDFQTXXEUHGKV-QLFBSQMISA-N 1 0 283.375 2.367 10 0 CEAERO CN(C[C@H]1CCCOC1)c1ccc(F)cc1CC[NH3+] ZINC000111481549 186422812 /nfs/dbraw/zinc/42/28/12/186422812.db2.gz IGZSDDPLCSYKPZ-GFCCVEGCSA-N 1 0 266.360 2.190 10 0 CEAERO CC[C@@H]([NH3+])Cc1c(C)nn(C)c1N(CC)CC(F)(F)F ZINC000111501376 186424583 /nfs/dbraw/zinc/42/45/83/186424583.db2.gz CPQDIMBXFDXIMR-SNVBAGLBSA-N 1 0 292.349 2.397 10 0 CEAERO COc1cccc(OC)c1Oc1c(CC[NH3+])c(C)nn1C ZINC000111516558 186426009 /nfs/dbraw/zinc/42/60/09/186426009.db2.gz KCTBEOCHPQARMF-UHFFFAOYSA-N 1 0 291.351 2.039 10 0 CEAERO C[C@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)NCCOC1CCCCC1 ZINC000111651206 186437365 /nfs/dbraw/zinc/43/73/65/186437365.db2.gz AJXBRTFUOACSGY-NWANDNLSSA-N 1 0 282.428 2.215 10 0 CEAERO Cc1ncsc1CN(C)[C@H](c1cccnc1)[C@@H](C)[NH3+] ZINC000111665350 186439951 /nfs/dbraw/zinc/43/99/51/186439951.db2.gz LKFACRKUJHLMIN-YGRLFVJLSA-N 1 0 276.409 2.367 10 0 CEAERO CCOCCC[NH2+]C[C@@H](C)N(C)Cc1scnc1C ZINC000111677170 186440752 /nfs/dbraw/zinc/44/07/52/186440752.db2.gz CKYCSETXAARPRH-GFCCVEGCSA-N 1 0 285.457 2.288 10 0 CEAERO Cc1cc(CN2CCC[C@H](C[NH2+]CC(C)C)C2)no1 ZINC000111700654 186445930 /nfs/dbraw/zinc/44/59/30/186445930.db2.gz RCQIBXOIZZTXGB-CQSZACIVSA-N 1 0 265.401 2.441 10 0 CEAERO CC[NH2+]C[C@@H]1CCCCN1CC(=O)Nc1cccc(C)c1 ZINC000111701637 186446078 /nfs/dbraw/zinc/44/60/78/186446078.db2.gz HBWQDDDANHLKDB-INIZCTEOSA-N 1 0 289.423 2.398 10 0 CEAERO C[NH2+][C@@H](C)[C@H]1CCCCN1[C@@H](C)C(=O)N1CCCCCC1 ZINC000111710375 186449448 /nfs/dbraw/zinc/44/94/48/186449448.db2.gz AFDXXGQYJDDZMV-HRCADAONSA-N 1 0 295.471 2.240 10 0 CEAERO CCC[NH2+][C@H](C)Cc1nc(-c2cc(C)ccn2)no1 ZINC000111728423 186450933 /nfs/dbraw/zinc/45/09/33/186450933.db2.gz NDUGKUSVHWIIEW-LLVKDONJSA-N 1 0 260.341 2.371 10 0 CEAERO O=C(CCOC1CC[NH2+]CC1)Nc1ccc2c(c1)CCC2 ZINC000111799650 186459023 /nfs/dbraw/zinc/45/90/23/186459023.db2.gz RXJSKMSXPIHYRQ-UHFFFAOYSA-N 1 0 288.391 2.273 10 0 CEAERO CCS(=O)(=O)c1ccc(NC2(C[NH3+])CCCC2)cc1 ZINC000111822823 186460317 /nfs/dbraw/zinc/46/03/17/186460317.db2.gz VGNDCONODJNTNV-UHFFFAOYSA-N 1 0 282.409 2.164 10 0 CEAERO COc1ccccc1C(=O)N[C@H](C[NH3+])c1ccccc1 ZINC000111364856 186405378 /nfs/dbraw/zinc/40/53/78/186405378.db2.gz KUOGUVPAZMRTRO-CQSZACIVSA-N 1 0 270.332 2.125 10 0 CEAERO CC1CCC(C[NH3+])(NC(=O)c2ccc3c(c2)COC3)CC1 ZINC000111370403 186408995 /nfs/dbraw/zinc/40/89/95/186408995.db2.gz ZGSMPEPVNSVZAR-UHFFFAOYSA-N 1 0 288.391 2.354 10 0 CEAERO CC(C)Cn1ccnc(Nc2cccc(C[NH3+])c2)c1=O ZINC000111375389 186409430 /nfs/dbraw/zinc/40/94/30/186409430.db2.gz KMXJDJNPHISULH-UHFFFAOYSA-N 1 0 272.352 2.102 10 0 CEAERO [NH3+]CCN(c1ncnc2c1CCC2)C1CCCCC1 ZINC000111374360 186409998 /nfs/dbraw/zinc/40/99/98/186409998.db2.gz ZBFNFQCHPXWGRH-UHFFFAOYSA-N 1 0 260.385 2.063 10 0 CEAERO Cc1cc(=O)n(CC[NH2+]C2CCCCCC2)c(C)n1 ZINC000111402705 186413734 /nfs/dbraw/zinc/41/37/34/186413734.db2.gz FNILNIYDSCEADJ-UHFFFAOYSA-N 1 0 263.385 2.173 10 0 CEAERO CO[C@@H]1C[NH2+][C@@](C)(c2nc(-c3ccsc3)no2)C1 ZINC000629689002 351473087 /nfs/dbraw/zinc/47/30/87/351473087.db2.gz XNMJKDAHKMFHGM-JOYOIKCWSA-N 1 0 265.338 2.022 10 0 CEAERO Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000119943865 186863966 /nfs/dbraw/zinc/86/39/66/186863966.db2.gz IUKDJZJVCCFDMF-YNEHKIRRSA-N 1 0 278.421 2.323 10 0 CEAERO CC(C)[C@@H]([NH3+])CNc1ccc(Br)cn1 ZINC000070447799 363082935 /nfs/dbraw/zinc/08/29/35/363082935.db2.gz PERAQNXRJPHLKH-VIFPVBQESA-N 1 0 258.163 2.239 10 0 CEAERO [NH3+][C@@H]1CCCN(c2cc(-c3cccc(F)c3)[nH]n2)C1 ZINC000070460151 363087630 /nfs/dbraw/zinc/08/76/30/363087630.db2.gz NLDNKUXVCFOONI-GFCCVEGCSA-N 1 0 260.316 2.143 10 0 CEAERO CO[C@@H]1CN(Cc2ccc(Cl)c(F)c2)[C@@](C)(C[NH3+])C1 ZINC000630365462 351713365 /nfs/dbraw/zinc/71/33/65/351713365.db2.gz ICNQSVDCIGXGAP-SMDDNHRTSA-N 1 0 286.778 2.417 10 0 CEAERO Cc1cc(C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)cc(C)c1F ZINC000121593110 186983283 /nfs/dbraw/zinc/98/32/83/186983283.db2.gz HCRTXKLBHLKJJL-CYBMUJFWSA-N 1 0 278.371 2.466 10 0 CEAERO C[C@]12C[NH2+]C[C@@]1(C)CN(c1ccncc1Br)C2 ZINC000630540161 351777991 /nfs/dbraw/zinc/77/79/91/351777991.db2.gz UWTVAQPIVLCEQY-BETUJISGSA-N 1 0 296.212 2.280 10 0 CEAERO CCCC[C@H](CC)C[N@@H+]1CCC(O)=C(C(=O)OC)C1 ZINC000070460767 363088860 /nfs/dbraw/zinc/08/88/60/363088860.db2.gz LTRLWTREJPLHDV-QWHCGFSZSA-N 1 0 269.385 2.267 10 0 CEAERO Cc1sc2ncnc(N3C[C@H](C)[C@H](C[NH3+])C3)c2c1C ZINC000630566742 351788117 /nfs/dbraw/zinc/78/81/17/351788117.db2.gz FYHBQKCXDHORAR-GZMMTYOYSA-N 1 0 276.409 2.339 10 0 CEAERO C[C@H]1CN(c2cc(C(F)(F)F)ccn2)C[C@@H]1C[NH3+] ZINC000630572674 351788770 /nfs/dbraw/zinc/78/87/70/351788770.db2.gz RCABBCVHJZGTSB-IUCAKERBSA-N 1 0 259.275 2.131 10 0 CEAERO Cc1nc(N2C[C@H](C)[C@H](C[NH3+])C2)ccc1Br ZINC000630572225 351788776 /nfs/dbraw/zinc/78/87/76/351788776.db2.gz QBJYLLFYBUQNJG-WCBMZHEXSA-N 1 0 284.201 2.184 10 0 CEAERO C[C@H]1CN(c2ncccc2C(F)(F)F)C[C@H]1C[NH3+] ZINC000630572749 351788934 /nfs/dbraw/zinc/78/89/34/351788934.db2.gz SARHAQSHRMQUJP-DTWKUNHWSA-N 1 0 259.275 2.131 10 0 CEAERO C[C@H]1CN(C(=O)Nc2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC000630582057 351792179 /nfs/dbraw/zinc/79/21/79/351792179.db2.gz PVFJTLWUNHUNKW-UWVGGRQHSA-N 1 0 267.760 2.399 10 0 CEAERO C[C@H](N[C@H](C[NH+](C)C)c1ccccc1)c1cnccn1 ZINC000070477571 363090098 /nfs/dbraw/zinc/09/00/98/363090098.db2.gz PJGDNZZPARWNQD-XJKSGUPXSA-N 1 0 270.380 2.430 10 0 CEAERO [NH3+]C[C@H]1CN(c2ncccc2F)CC[C@@H]1C(F)(F)F ZINC000630527380 351773909 /nfs/dbraw/zinc/77/39/09/351773909.db2.gz JAAJJTZCCFTFGI-IUCAKERBSA-N 1 0 277.265 2.184 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N(CCC(F)(F)F)CC1CC1 ZINC000121875185 187002277 /nfs/dbraw/zinc/00/22/77/187002277.db2.gz KQCNPZBDCYHGEE-JTQLQIEISA-N 1 0 266.307 2.305 10 0 CEAERO Cc1cnn([C@@H]2CCC[N@@H+](Cc3cccn3C)C2)c1 ZINC000123099138 187070791 /nfs/dbraw/zinc/07/07/91/187070791.db2.gz FNTXDXLPWUKMEW-OAHLLOKOSA-N 1 0 258.369 2.367 10 0 CEAERO [NH3+]CCOc1ccc(NC(=O)c2cc(Cl)c[nH]2)cc1 ZINC000122443625 187032420 /nfs/dbraw/zinc/03/24/20/187032420.db2.gz JYIZOUSGKTWQFV-UHFFFAOYSA-N 1 0 279.727 2.258 10 0 CEAERO C[C@H](C[NH2+][C@H](C)c1ccccc1F)N1CCOCC1 ZINC000123211604 187078129 /nfs/dbraw/zinc/07/81/29/187078129.db2.gz CPJSFUCZQLSCRQ-CHWSQXEVSA-N 1 0 266.360 2.197 10 0 CEAERO CC(C)=CCC[C@H](C)[NH2+]C[C@@H](C)N1CCOCC1 ZINC000123308885 187084326 /nfs/dbraw/zinc/08/43/26/187084326.db2.gz XEXNSQOUHWCHNB-LSDHHAIUSA-N 1 0 254.418 2.432 10 0 CEAERO C[C@H](C[NH2+][C@@H](C)c1cccs1)N1CCOCC1 ZINC000123342120 187086141 /nfs/dbraw/zinc/08/61/41/187086141.db2.gz IWJORPQDWSNPGF-NEPJUHHUSA-N 1 0 254.399 2.119 10 0 CEAERO [NH3+][C@H]1CCC[C@@H](C(=O)Nc2nc3c(s2)CCC3)C1 ZINC000070577855 363099489 /nfs/dbraw/zinc/09/94/89/363099489.db2.gz ORUYDTFCJQBHMX-BDAKNGLRSA-N 1 0 265.382 2.088 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NC1CCC(OC(C)C)CC1 ZINC000236960656 539827186 /nfs/dbraw/zinc/82/71/86/539827186.db2.gz URPLQSITBBYSFR-BLYZHGLHSA-N 1 0 270.417 2.212 10 0 CEAERO Brc1cccnc1S[C@@H]1CC[NH2+]C1 ZINC000070615523 363101960 /nfs/dbraw/zinc/10/19/60/363101960.db2.gz IVDKFELGYOCFQE-SSDOTTSWSA-N 1 0 259.172 2.298 10 0 CEAERO Nc1ccc2nc(N3CC[N@@H+]4CCC[C@@H]4C3)sc2c1 ZINC000094457998 539880080 /nfs/dbraw/zinc/88/00/80/539880080.db2.gz ISTSBKBZJLJMDY-LLVKDONJSA-N 1 0 274.393 2.163 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)CCOc1cccc(Cl)c1 ZINC000238064827 539885854 /nfs/dbraw/zinc/88/58/54/539885854.db2.gz JESDUJDQRQICJU-RISCZKNCSA-N 1 0 296.798 2.353 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@H]2CCc3ccc(C)cc32)C1 ZINC000252743079 539897243 /nfs/dbraw/zinc/89/72/43/539897243.db2.gz OTOLCCLPWSIUSG-RDJZCZTQSA-N 1 0 274.408 2.293 10 0 CEAERO Cc1ccc([C@H](C)[NH2+]C2CCN(C(=O)N(C)C)CC2)o1 ZINC000135359618 187823453 /nfs/dbraw/zinc/82/34/53/187823453.db2.gz WIWGWODQJXDEEH-LBPRGKRZSA-N 1 0 279.384 2.385 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1CN1CCCc2ccccc21 ZINC000090566044 535187930 /nfs/dbraw/zinc/18/79/30/535187930.db2.gz RJDHUICTBUPIAX-JKSUJKDBSA-N 1 0 274.408 2.454 10 0 CEAERO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc2ccccc2n1 ZINC000073106334 363197891 /nfs/dbraw/zinc/19/78/91/363197891.db2.gz PZORGEWFEKEFQE-INIZCTEOSA-N 1 0 283.375 2.287 10 0 CEAERO C[C@H](NC(=O)[C@H]1CC[C@H]([NH3+])C1)c1cc(F)ccc1F ZINC000097093636 539947034 /nfs/dbraw/zinc/94/70/34/539947034.db2.gz OMLVEIIZFLKYEQ-QXEWZRGKSA-N 1 0 268.307 2.269 10 0 CEAERO Cn1nccc1C1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000195502273 282861369 /nfs/dbraw/zinc/86/13/69/282861369.db2.gz GKTPETQOGUBZCI-QGZVFWFLSA-N 1 0 285.391 2.333 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc(N(C)C)cc1 ZINC000152569030 188029094 /nfs/dbraw/zinc/02/90/94/188029094.db2.gz PGEKIFYTGLJSHF-OAHLLOKOSA-N 1 0 291.439 2.459 10 0 CEAERO c1[nH]nc(-c2ccccc2)c1C[NH2+][C@H]1C[C@H]2CC[C@@H]1O2 ZINC000153042129 188060535 /nfs/dbraw/zinc/06/05/35/188060535.db2.gz ODXWIXOBMGBNRC-ILXRZTDVSA-N 1 0 269.348 2.486 10 0 CEAERO CC1=C(C)CN(C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)CC1 ZINC000336450728 213317346 /nfs/dbraw/zinc/31/73/46/213317346.db2.gz SMJQIRHUIDDKPO-KBPBESRZSA-N 1 0 265.401 2.221 10 0 CEAERO COCOc1ccc(OC)cc1C[NH2+][C@H]1CCCC[C@H]1O ZINC000154484616 188144848 /nfs/dbraw/zinc/14/48/48/188144848.db2.gz RNYGHCVQLXOVBH-LSDHHAIUSA-N 1 0 295.379 2.071 10 0 CEAERO C[NH+](C)C[C@H]1CN(CCSc2ccccc2F)CCO1 ZINC000155340422 188199727 /nfs/dbraw/zinc/19/97/27/188199727.db2.gz MISZYFINELZFFM-ZDUSSCGKSA-N 1 0 298.427 2.180 10 0 CEAERO CC[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000251833875 539992525 /nfs/dbraw/zinc/99/25/25/539992525.db2.gz QEJILQUSNFAIJU-RDBSUJKOSA-N 1 0 252.402 2.400 10 0 CEAERO C[C@@H]1CCCN(c2ncnc3ccsc32)[C@H]1C[NH3+] ZINC000252125214 539999647 /nfs/dbraw/zinc/99/96/47/539999647.db2.gz JYYNUIJZHQOXRS-KOLCDFICSA-N 1 0 262.382 2.255 10 0 CEAERO FC(F)(F)c1cccc(N2CC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000261590828 282923787 /nfs/dbraw/zinc/92/37/87/282923787.db2.gz LOOYIJSFQNMCGA-GFCCVEGCSA-N 1 0 271.286 2.290 10 0 CEAERO CCOc1cncc(N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)n1 ZINC000131900254 366099108 /nfs/dbraw/zinc/09/91/08/366099108.db2.gz NTSJGMQZNVQVNI-NWDGAFQWSA-N 1 0 264.373 2.016 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N(C)Cc2nccs2)C1 ZINC000132220044 366128111 /nfs/dbraw/zinc/12/81/11/366128111.db2.gz RMKNVTGGTAVQBK-NEPJUHHUSA-N 1 0 296.440 2.013 10 0 CEAERO C[C@H](NC(=O)NCC[NH+](C)C)c1cccc(Cl)c1 ZINC000133339152 366214473 /nfs/dbraw/zinc/21/44/73/366214473.db2.gz QCXNYMQNSVIEIK-JTQLQIEISA-N 1 0 269.776 2.262 10 0 CEAERO CCCN(C(=O)[C@@H]1C[C@@]1(C)CC)C1CC[NH2+]CC1 ZINC000163311005 283025979 /nfs/dbraw/zinc/02/59/79/283025979.db2.gz LZZJXQXFGKUYDP-DZGCQCFKSA-N 1 0 252.402 2.413 10 0 CEAERO [NH3+]C[C@@H]1CCCN1Cc1csc(Br)c1 ZINC000133239354 366206761 /nfs/dbraw/zinc/20/67/61/366206761.db2.gz AGBXQSZYDUXABJ-VIFPVBQESA-N 1 0 275.215 2.434 10 0 CEAERO CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170837052 188696643 /nfs/dbraw/zinc/69/66/43/188696643.db2.gz ZCKLCBJOOAFSCS-HOTGVXAUSA-N 1 0 289.423 2.353 10 0 CEAERO C[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@H](N3CCOCC3)C2)C1 ZINC000133413065 366222578 /nfs/dbraw/zinc/22/25/78/366222578.db2.gz DINWNNMOYAWLLI-OAGGEKHMSA-N 1 0 266.429 2.219 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)NCCc2ccc(Cl)cc2)C1 ZINC000170861861 188698738 /nfs/dbraw/zinc/69/87/38/188698738.db2.gz PGAUGSZOSSNEHS-CQSZACIVSA-N 1 0 295.814 2.228 10 0 CEAERO Cc1cccc([C@H](C)[NH2+]C[C@H](O)COC[C@H]2CCCO2)c1 ZINC000157329909 540038763 /nfs/dbraw/zinc/03/87/63/540038763.db2.gz UROGMSUESHBWKC-BHYGNILZSA-N 1 0 293.407 2.202 10 0 CEAERO CC(C)CNC(=O)N([C@H](CC[NH3+])C(F)(F)F)C1CC1 ZINC000675059064 540079338 /nfs/dbraw/zinc/07/93/38/540079338.db2.gz JAFQAHJDLYAYPP-SNVBAGLBSA-N 1 0 281.322 2.096 10 0 CEAERO COc1ccc(CN2C[C@@H]([NH2+]CC(C)C)CC2=O)cc1 ZINC000675069183 540109089 /nfs/dbraw/zinc/10/90/89/540109089.db2.gz CPWIQKVVBBYHDU-AWEZNQCLSA-N 1 0 276.380 2.042 10 0 CEAERO [NH3+]Cc1cc2ccc(Br)c(F)c2[nH]c1=O ZINC000675069618 540110375 /nfs/dbraw/zinc/11/03/75/540110375.db2.gz JIPUJRYJNCVAJW-UHFFFAOYSA-N 1 0 271.089 2.301 10 0 CEAERO CC(C)NC(=O)N1[C@H](CC[NH3+])CCC[C@H]1C(F)(F)F ZINC000675072697 540114508 /nfs/dbraw/zinc/11/45/08/540114508.db2.gz GIAUNFGMUBBSFV-UWVGGRQHSA-N 1 0 281.322 2.239 10 0 CEAERO CN1C[C@@H]([NH2+]Cc2cccc(F)c2F)C(C)(C)C1 ZINC000675075840 540116944 /nfs/dbraw/zinc/11/69/44/540116944.db2.gz SIUPZRKGBZWROJ-GFCCVEGCSA-N 1 0 254.324 2.395 10 0 CEAERO O[C@@H]1CCC[C@H]1[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000037489773 540131188 /nfs/dbraw/zinc/13/11/88/540131188.db2.gz DJIUULAAEUVXQR-HUUCEWRRSA-N 1 0 280.799 2.375 10 0 CEAERO CO[C@]1(C)C[C@H](N(C)C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1(C)C ZINC000261801634 540151632 /nfs/dbraw/zinc/15/16/32/540151632.db2.gz RBFJYPFEZKWODU-NFFDBFGFSA-N 1 0 282.428 2.023 10 0 CEAERO [NH3+]C[C@]12CCC[C@H]1CN(c1ccncc1Cl)C2 ZINC000383518300 540182009 /nfs/dbraw/zinc/18/20/09/540182009.db2.gz HUNYVWDWQSTZNI-GWCFXTLKSA-N 1 0 251.761 2.300 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)NCCC1CCCCC1 ZINC000054291030 540205866 /nfs/dbraw/zinc/20/58/66/540205866.db2.gz VIHQLMHAQOIXHW-AWEZNQCLSA-N 1 0 252.402 2.463 10 0 CEAERO COc1ccc(C[N@@H+]2CCC[C@H](O)[C@@H]2C)c(F)c1 ZINC000384939609 540220936 /nfs/dbraw/zinc/22/09/36/540220936.db2.gz UFDXTJUKHBLFSW-HZMBPMFUSA-N 1 0 253.317 2.180 10 0 CEAERO O[C@H](c1sccc1Br)[C@@H]1CC[NH2+]C1 ZINC000575509186 366292370 /nfs/dbraw/zinc/29/23/70/366292370.db2.gz WBDNAVDDBXCSLH-SVRRBLITSA-N 1 0 262.172 2.154 10 0 CEAERO [NH3+][C@H](C1=COCC1)c1ncsc1Br ZINC000575504092 366292773 /nfs/dbraw/zinc/29/27/73/366292773.db2.gz DDCJWVIMNQZXGA-ZCFIWIBFSA-N 1 0 261.144 2.210 10 0 CEAERO [NH3+]C1(c2cccc(Br)c2F)CSC1 ZINC000575550167 366294206 /nfs/dbraw/zinc/29/42/06/366294206.db2.gz QCLSJWUSPWSJGC-UHFFFAOYSA-N 1 0 262.147 2.489 10 0 CEAERO [NH3+][C@@]1(Cc2ccc(Br)o2)CCSC1 ZINC000575567743 366295868 /nfs/dbraw/zinc/29/58/68/366295868.db2.gz ZNVRERUQRDQLIX-SECBINFHSA-N 1 0 262.172 2.419 10 0 CEAERO C[C@@H]1COC[C@H](C)[N@H+]1CCc1ccc2c(c1)CCO2 ZINC000075766293 363487453 /nfs/dbraw/zinc/48/74/53/363487453.db2.gz CJUDFQRZQIDETP-BETUJISGSA-N 1 0 261.365 2.273 10 0 CEAERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCC[C@@H](O)C1 ZINC000310095956 540335982 /nfs/dbraw/zinc/33/59/82/540335982.db2.gz AKILKTVYVLHLIM-VXGBXAGGSA-N 1 0 254.399 2.434 10 0 CEAERO O[C@@H]1CCC[C@@H]1[C@H]1CCC[N@@H+]1C[C@H]1CCC[C@@H](O)C1 ZINC000389067858 540337140 /nfs/dbraw/zinc/33/71/40/540337140.db2.gz VMXTVPAWSXYZAQ-UYJHQMFVSA-N 1 0 267.413 2.163 10 0 CEAERO Cc1sc([C@H](O)[C@H](C)C[NH3+])cc1Br ZINC000227991246 540341707 /nfs/dbraw/zinc/34/17/07/540341707.db2.gz UROHYYQKQCMEEI-MLUIRONXSA-N 1 0 264.188 2.447 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCOCc1ccccc1 ZINC000390172317 540380828 /nfs/dbraw/zinc/38/08/28/540380828.db2.gz KSRGNSDRHQSVSC-DOTOQJQBSA-N 1 0 274.408 2.372 10 0 CEAERO CCOCC[N@@H+]1CCN(Cc2nccs2)C[C@@H]1CC ZINC000135050812 366391290 /nfs/dbraw/zinc/39/12/90/366391290.db2.gz VCHJBKUATCNZRV-ZDUSSCGKSA-N 1 0 283.441 2.076 10 0 CEAERO C[C@H]([NH2+]CCCOc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000578004990 366428988 /nfs/dbraw/zinc/42/89/88/366428988.db2.gz ZCGRRXCNDLBPHP-LSDHHAIUSA-N 1 0 262.397 2.433 10 0 CEAERO CN(CCCOc1ccccc1)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079517338 363612780 /nfs/dbraw/zinc/61/27/80/363612780.db2.gz NBEFLOUJTNARKM-MRXNPFEDSA-N 1 0 276.380 2.056 10 0 CEAERO C[C@@H]1C[C@H]([NH2+][C@@H](CN(C)C)c2ccccc2)[C@H](C)O1 ZINC000294945952 199265145 /nfs/dbraw/zinc/26/51/45/199265145.db2.gz AGEMJCLGJCTUOM-VRKREXBASA-N 1 0 262.397 2.445 10 0 CEAERO CC(C)(C)c1ccc(COC(=O)CCC(=O)C[NH3+])cc1 ZINC000136752974 366523969 /nfs/dbraw/zinc/52/39/69/366523969.db2.gz SDJRURUUVYMOSP-UHFFFAOYSA-N 1 0 277.364 2.335 10 0 CEAERO CCC[C@H]([NH3+])C(=O)Nc1nc(-c2cccs2)ns1 ZINC000236960447 370665377 /nfs/dbraw/zinc/66/53/77/370665377.db2.gz DGNYCOGFSFGOET-ZETCQYMHSA-N 1 0 282.394 2.333 10 0 CEAERO [NH3+]CC1(C(=O)N[C@@H]2CCOc3ccccc32)CCCC1 ZINC000051987582 283424326 /nfs/dbraw/zinc/42/43/26/283424326.db2.gz NTKSHUKHEADIEG-CYBMUJFWSA-N 1 0 274.364 2.146 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cccnc1OC ZINC000193368106 270284274 /nfs/dbraw/zinc/28/42/74/270284274.db2.gz JTQSVWXVQHJPPP-CQSZACIVSA-N 1 0 263.385 2.006 10 0 CEAERO CCC[C@@H](C(=O)NCCCc1ccc(OC)cc1)[NH+](C)C ZINC000137742517 366548324 /nfs/dbraw/zinc/54/83/24/366548324.db2.gz LTKVHLRBZKICGI-INIZCTEOSA-N 1 0 292.423 2.474 10 0 CEAERO NC(=[NH2+])Nc1ccc(Cl)cc1I ZINC000141877437 366565947 /nfs/dbraw/zinc/56/59/47/366565947.db2.gz ZVOJFNQFDDOUNF-UHFFFAOYSA-N 1 0 295.511 2.250 10 0 CEAERO CCN1CCC[C@@H]([NH2+]Cc2sc(C)nc2C)C1 ZINC000080694028 363679543 /nfs/dbraw/zinc/67/95/43/363679543.db2.gz WMXKGXLBVWMFAG-GFCCVEGCSA-N 1 0 253.415 2.334 10 0 CEAERO [NH3+]C[C@H]1CCCN1C(=O)C1=Cc2cc(Cl)ccc2OC1 ZINC000238028081 283507149 /nfs/dbraw/zinc/50/71/49/283507149.db2.gz DXQCRBXPYWUMAC-CYBMUJFWSA-N 1 0 292.766 2.066 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)NCc2ccccc2F)[C@@H](C)C1 ZINC000150856924 366601862 /nfs/dbraw/zinc/60/18/62/366601862.db2.gz NPNLUNLVISPWFS-WFASDCNBSA-N 1 0 293.386 2.354 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@H]1Nc1nnc(C(F)(F)F)s1 ZINC000160378175 283505092 /nfs/dbraw/zinc/50/50/92/283505092.db2.gz MWCWVUQEBQXMAN-RNFRBKRXSA-N 1 0 280.319 2.486 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2cccs2)C1 ZINC000176925751 189014667 /nfs/dbraw/zinc/01/46/67/189014667.db2.gz AEQKVTVPIXEARC-YPMHNXCESA-N 1 0 281.425 2.276 10 0 CEAERO CCOC(=O)CCC[NH2+]Cc1ccc(OC)cc1OC ZINC000081545131 363728792 /nfs/dbraw/zinc/72/87/92/363728792.db2.gz MOOIRBHEHWRTEG-UHFFFAOYSA-N 1 0 281.352 2.137 10 0 CEAERO CCOc1ccccc1[C@@H](C)[NH2+][C@H](C)CS(C)(=O)=O ZINC000081901648 363745502 /nfs/dbraw/zinc/74/55/02/363745502.db2.gz IEKQHOSEATUAAJ-VXGBXAGGSA-N 1 0 285.409 2.169 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C(F)(F)F)cn1 ZINC000132162129 283556208 /nfs/dbraw/zinc/55/62/08/283556208.db2.gz AXXZDNQLMZNTEC-ZJUUUORDSA-N 1 0 287.285 2.100 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)c1ccc(C(C)=O)cn1 ZINC000178881827 189152043 /nfs/dbraw/zinc/15/20/43/189152043.db2.gz SKLRIJJKXJPHKZ-AWEZNQCLSA-N 1 0 261.369 2.205 10 0 CEAERO Cn1cc([C@H]2CC[N@H+](Cc3ccc4c[nH]nc4c3)C2)cn1 ZINC000179806438 189221352 /nfs/dbraw/zinc/22/13/52/189221352.db2.gz KQFGMWZYKJIOFC-AWEZNQCLSA-N 1 0 281.363 2.286 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)c1cc2c(s1)CCC2 ZINC000038049370 283622447 /nfs/dbraw/zinc/62/24/47/283622447.db2.gz ABZAYZHJUNJXSK-WDEREUQCSA-N 1 0 264.394 2.237 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)c1ccc(C(F)(F)F)nc1 ZINC000038048504 283623007 /nfs/dbraw/zinc/62/30/07/283623007.db2.gz DRSJZZVHPIZNJI-VHSXEESVSA-N 1 0 287.285 2.100 10 0 CEAERO COc1ccc([C@]23CC[N@H+](C)[C@H]2CC(=O)CC3)cc1OC ZINC000000898198 361194795 /nfs/dbraw/zinc/19/47/95/361194795.db2.gz DAHIQPJTGIHDGO-IRXDYDNUSA-N 1 0 289.375 2.399 10 0 biogenic,in-vitro CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(OC)n1 ZINC000180827279 189277410 /nfs/dbraw/zinc/27/74/10/189277410.db2.gz WBHBGMPMXRNRBP-LSDHHAIUSA-N 1 0 275.396 2.149 10 0 CEAERO CC[N@H+](CC(=O)N1CCC[C@@H]1c1ccco1)C1CC1 ZINC000152703093 366709947 /nfs/dbraw/zinc/70/99/47/366709947.db2.gz IOSKRDVQCXMSNK-CYBMUJFWSA-N 1 0 262.353 2.427 10 0 CEAERO Cc1ccc2c(c1)[C@H](NC(=O)NCC[NH+](C)C)[C@@H](C)C2 ZINC000181935658 189310357 /nfs/dbraw/zinc/31/03/57/189310357.db2.gz BRFKVIZMGVZECG-SWLSCSKDSA-N 1 0 275.396 2.089 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N(C)Cc1cc(C)c(OC)c(C)c1 ZINC000237036821 370681785 /nfs/dbraw/zinc/68/17/85/370681785.db2.gz KGTUDLOPMZMHEG-AWEZNQCLSA-N 1 0 278.396 2.398 10 0 CEAERO CCOCCN1CC[N@H+](CC(CC)CC)C[C@H]1C ZINC000153881051 366742225 /nfs/dbraw/zinc/74/22/25/366742225.db2.gz MCKZTFATYVWSSB-CQSZACIVSA-N 1 0 256.434 2.465 10 0 CEAERO CCC[C@H](CC)[NH2+][C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182338898 189320610 /nfs/dbraw/zinc/32/06/10/189320610.db2.gz UHMMVQQYCBUTLY-KBPBESRZSA-N 1 0 292.427 2.392 10 0 CEAERO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)CC(C)C)C2=O)n(C)n1 ZINC000182345935 189321377 /nfs/dbraw/zinc/32/13/77/189321377.db2.gz MUPABSCBMYLFJR-OCCSQVGLSA-N 1 0 292.427 2.248 10 0 CEAERO CCCOc1cccc(CCNC(=O)C2CC[NH2+]CC2)c1 ZINC000182642201 189329769 /nfs/dbraw/zinc/32/97/69/189329769.db2.gz WEAOIZHLXGNDCN-UHFFFAOYSA-N 1 0 290.407 2.134 10 0 CEAERO Cc1cc(N(C)Cc2nc[nH]n2)c2cc(F)ccc2[nH+]1 ZINC000301648684 201113316 /nfs/dbraw/zinc/11/33/16/201113316.db2.gz FEQIUEWABFEBDI-UHFFFAOYSA-N 1 0 271.299 2.437 10 0 CEAERO CC(C)CSCCC[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000154387673 366770464 /nfs/dbraw/zinc/77/04/64/366770464.db2.gz GKBGWRVEABGGJL-OAHLLOKOSA-N 1 0 286.485 2.172 10 0 CEAERO COC(=O)c1cccc(OCC[NH2+][C@H](C)[C@@H]2CCCO2)c1 ZINC000183122748 189347598 /nfs/dbraw/zinc/34/75/98/189347598.db2.gz NDEMZKALIHNRQH-DOMZBBRYSA-N 1 0 293.363 2.009 10 0 CEAERO C[C@H](C[NH2+][C@H](C)c1cccc(F)c1F)N1CCOCC1 ZINC000183216508 189350231 /nfs/dbraw/zinc/35/02/31/189350231.db2.gz GUPPDTOCSBNWAH-VXGBXAGGSA-N 1 0 284.350 2.336 10 0 CEAERO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2C[C@@H]2C)c1 ZINC000183491578 189360050 /nfs/dbraw/zinc/36/00/50/189360050.db2.gz KRLCAYXFAHTAAU-COPLHBTASA-N 1 0 290.363 2.188 10 0 CEAERO CCC[C@@H](C(=O)NC[C@@H](C)c1nccs1)[NH+](C)C ZINC000183508247 189360746 /nfs/dbraw/zinc/36/07/46/189360746.db2.gz RCZRMVIQPFBWDJ-MNOVXSKESA-N 1 0 269.414 2.093 10 0 CEAERO Cc1cnn(CC[NH2+][C@@H](C)c2cccc(CO)c2)c1 ZINC000183285090 189353579 /nfs/dbraw/zinc/35/35/79/189353579.db2.gz DMDQYWYESIGJAY-ZDUSSCGKSA-N 1 0 259.353 2.035 10 0 CEAERO CN(C)CC[NH2+]Cc1ccc(Br)s1 ZINC000019264099 361524309 /nfs/dbraw/zinc/52/43/09/361524309.db2.gz VUOSSJMUXQMBEI-UHFFFAOYSA-N 1 0 263.204 2.162 10 0 CEAERO C[C@@H]([NH2+]CCN1CCOCC1)c1ccc(F)c(Cl)c1 ZINC000020078472 361577391 /nfs/dbraw/zinc/57/73/91/361577391.db2.gz FGWWSQHPMCBTNQ-LLVKDONJSA-N 1 0 286.778 2.462 10 0 CEAERO O[C@@]1(c2ccc(C3OCCCO3)cc2)C[NH+]2CCC1CC2 ZINC000026744658 361644731 /nfs/dbraw/zinc/64/47/31/361644731.db2.gz YXISPSZRYQWDQP-QGZVFWFLSA-N 1 0 289.375 2.035 10 0 CEAERO O=C(CCC1CCCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000027932161 361663041 /nfs/dbraw/zinc/66/30/41/361663041.db2.gz HOQDCKRELOFZEP-AWEZNQCLSA-N 1 0 250.386 2.263 10 0 CEAERO CC1(C)[C@H]([NH2+]CCN2CCCCCC2)[C@@H]2CCO[C@@H]21 ZINC000085636547 363835919 /nfs/dbraw/zinc/83/59/19/363835919.db2.gz HTKUPWJXVWUNFH-ZNMIVQPWSA-N 1 0 266.429 2.266 10 0 CEAERO C[NH2+][C@@H](CN1CCOCC1)c1ccc(Br)cc1 ZINC000088241052 363885759 /nfs/dbraw/zinc/88/57/59/363885759.db2.gz JKTRQBQJXCVLAA-ZDUSSCGKSA-N 1 0 299.212 2.042 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc2c1OCO2 ZINC000093437388 364181472 /nfs/dbraw/zinc/18/14/72/364181472.db2.gz HLGCBCYTOGCNTF-TZMCWYRMSA-N 1 0 274.364 2.084 10 0 CEAERO COc1cccc(F)c1[C@H](C)NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000237288775 370707659 /nfs/dbraw/zinc/70/76/59/370707659.db2.gz ZTVYSHHNWVXMIS-HBNTYKKESA-N 1 0 280.343 2.139 10 0 CEAERO COc1c(C[N@H+](C)[C@@H](C)CCSC)c(C)nn1C ZINC000093558823 364198949 /nfs/dbraw/zinc/19/89/49/364198949.db2.gz VKJLFSKLSMSBPO-JTQLQIEISA-N 1 0 271.430 2.311 10 0 CEAERO Cc1c(C[NH2+][C@H](C)c2ccc3c(c2)OCCO3)cnn1C ZINC000093649713 364208711 /nfs/dbraw/zinc/20/87/11/364208711.db2.gz COJVNUQQWOPLPJ-LLVKDONJSA-N 1 0 287.363 2.351 10 0 CEAERO CC[N@H+](CCc1nccs1)Cc1c(C)nn(C)c1OC ZINC000093764604 364222758 /nfs/dbraw/zinc/22/27/58/364222758.db2.gz VITFUQCAJMXDSR-UHFFFAOYSA-N 1 0 294.424 2.258 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCCc2ccccc2Cl)C1 ZINC000237990418 370765479 /nfs/dbraw/zinc/76/54/79/370765479.db2.gz YKGUISONJUOTAV-VXGBXAGGSA-N 1 0 266.772 2.126 10 0 CEAERO Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)c(F)c1 ZINC000094216689 364258740 /nfs/dbraw/zinc/25/87/40/364258740.db2.gz MNBZHHJFQQKLTC-GFCCVEGCSA-N 1 0 264.344 2.158 10 0 CEAERO CC1(C)CCCC[C@@H]1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000094328063 364265159 /nfs/dbraw/zinc/26/51/59/364265159.db2.gz UIPGNSSHDQSWIJ-STQMWFEESA-N 1 0 252.402 2.461 10 0 CEAERO CCOc1nc2ccccc2nc1O[C@H]1CCC[NH2+]C1 ZINC000095069725 364329782 /nfs/dbraw/zinc/32/97/82/364329782.db2.gz NRIIUNFHTREJDG-NSHDSACASA-N 1 0 273.336 2.159 10 0 CEAERO CN(Cc1cnc(Cl)s1)C[C@@H]1CCCC[NH2+]1 ZINC000095070872 364330795 /nfs/dbraw/zinc/33/07/95/364330795.db2.gz VJMGPUUTADZJQH-VIFPVBQESA-N 1 0 259.806 2.370 10 0 CEAERO CSc1nc(Cl)cc(N(C)C[C@@H]2CCC[NH2+]2)n1 ZINC000095071741 364332354 /nfs/dbraw/zinc/33/23/54/364332354.db2.gz XWPMPQHZUGBDEV-QMMMGPOBSA-N 1 0 272.805 2.040 10 0 CEAERO O=S(=O)(C[C@H]1CCCC[NH2+]1)c1nc2ccccc2s1 ZINC000095073158 364332898 /nfs/dbraw/zinc/33/28/98/364332898.db2.gz PPIOGMADCATJEO-SNVBAGLBSA-N 1 0 296.417 2.212 10 0 CEAERO CC[NH2+]CCC1CN(C(=O)OCc2ccccc2)C1 ZINC000095091557 364337644 /nfs/dbraw/zinc/33/76/44/364337644.db2.gz ZWISKHVMQMXHMR-UHFFFAOYSA-N 1 0 262.353 2.255 10 0 CEAERO c1cnc2[nH]c(OCCC[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000095092559 364339062 /nfs/dbraw/zinc/33/90/62/364339062.db2.gz RCVNHWOWSUAKCZ-NSHDSACASA-N 1 0 260.341 2.117 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1c(F)c(F)nc(F)c1F ZINC000094628677 364284857 /nfs/dbraw/zinc/28/48/57/364284857.db2.gz LKBSWXJEEVUACI-JGVFFNPUSA-N 1 0 289.276 2.311 10 0 CEAERO COc1ccc(Cc2noc([C@@H]3CC[C@@H]([NH3+])C3)n2)cc1 ZINC000097068000 364439533 /nfs/dbraw/zinc/43/95/33/364439533.db2.gz ZYZTYEVPCQZAFE-VXGBXAGGSA-N 1 0 273.336 2.264 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](c2nc(CCc3ccccc3)no2)C1 ZINC000097068013 364439560 /nfs/dbraw/zinc/43/95/60/364439560.db2.gz OTFSTADUNMVKNN-CHWSQXEVSA-N 1 0 257.337 2.450 10 0 CEAERO COc1ncccc1C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000097119735 364458176 /nfs/dbraw/zinc/45/81/76/364458176.db2.gz ANQNTSBCTFQBHP-OAHLLOKOSA-N 1 0 299.374 2.123 10 0 CEAERO c1n[nH]cc1[C@H]1CCCCN1CC[NH+]1CCCCC1 ZINC000158163428 366854401 /nfs/dbraw/zinc/85/44/01/366854401.db2.gz UMRLDZUSXIJARI-OAHLLOKOSA-N 1 0 262.401 2.423 10 0 CEAERO [NH3+]Cc1cc2cc(I)ccc2o1 ZINC000098095794 364531988 /nfs/dbraw/zinc/53/19/88/364531988.db2.gz CXLKXZHQXMNPKA-UHFFFAOYSA-N 1 0 273.073 2.496 10 0 CEAERO CC[C@@H]1CN(c2ccnc(C(C)C)n2)CC[N@@H+]1CCOC ZINC000110560524 364722317 /nfs/dbraw/zinc/72/23/17/364722317.db2.gz OVWBSHFHLFCEBS-CQSZACIVSA-N 1 0 292.427 2.147 10 0 CEAERO Cc1cnc(CCN2C[C@H]3CCC[N@H+]3C[C@@H]2C)c(C)c1 ZINC000335434853 364731581 /nfs/dbraw/zinc/73/15/81/364731581.db2.gz KUNOFXQZRKAFFZ-JKSUJKDBSA-N 1 0 273.424 2.409 10 0 CEAERO CC(C)(C)CC[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000112697909 364830423 /nfs/dbraw/zinc/83/04/23/364830423.db2.gz VZZCDSQSXZVNGK-CYBMUJFWSA-N 1 0 250.390 2.426 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1c[nH]c2ccccc12 ZINC000113223617 364877263 /nfs/dbraw/zinc/87/72/63/364877263.db2.gz QJRPYBNDOASYOV-DZGCQCFKSA-N 1 0 297.402 2.406 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1noc2c1CCCC2 ZINC000113267866 364880210 /nfs/dbraw/zinc/88/02/10/364880210.db2.gz ICAOLDFNFCWHOE-CHWSQXEVSA-N 1 0 275.396 2.222 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1ccc2sccc2c1 ZINC000335596337 212307110 /nfs/dbraw/zinc/30/71/10/212307110.db2.gz MLTWQBMDFNOLQI-BXKDBHETSA-N 1 0 260.362 2.463 10 0 CEAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccc(Cl)cc1F ZINC000335768412 364953955 /nfs/dbraw/zinc/95/39/55/364953955.db2.gz GKXFCISJWBAKTJ-PELKAZGASA-N 1 0 270.735 2.236 10 0 CEAERO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2c2ccco2)C[C@@H](C)O1 ZINC000116295288 365049233 /nfs/dbraw/zinc/04/92/33/365049233.db2.gz STJOCVHRKLSETI-MGPQQGTHSA-N 1 0 292.379 2.052 10 0 CEAERO Cn1cc([C@@H]2CC[N@H+](CCOc3cccc(F)c3)C2)cn1 ZINC000116315747 365050033 /nfs/dbraw/zinc/05/00/33/365050033.db2.gz QKQZGXZGPKWAMF-CYBMUJFWSA-N 1 0 289.354 2.428 10 0 CEAERO COC(=O)c1cccc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000116323895 365051459 /nfs/dbraw/zinc/05/14/59/365051459.db2.gz RIBIBRMFUCSOQF-OAHLLOKOSA-N 1 0 299.374 2.196 10 0 CEAERO COc1ccnc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1 ZINC000115980970 365032520 /nfs/dbraw/zinc/03/25/20/365032520.db2.gz HCCRZSWOVQUJQR-INIZCTEOSA-N 1 0 299.374 2.123 10 0 CEAERO CC[C@H]1CN(C(=O)c2sccc2C)CCN1CCOC ZINC000117302729 365101619 /nfs/dbraw/zinc/10/16/19/365101619.db2.gz UWXWMORZUYQWSX-ZDUSSCGKSA-N 1 0 296.436 2.239 10 0 CEAERO COCCCC[NH+]1CCC(c2ccnn2C)CC1 ZINC000117876604 365130294 /nfs/dbraw/zinc/13/02/94/365130294.db2.gz QFSXFLPTLWSHRR-UHFFFAOYSA-N 1 0 251.374 2.026 10 0 CEAERO CCc1noc(C)c1C[N@@H+]1CCC[C@H]1CCCO ZINC000119213081 365236694 /nfs/dbraw/zinc/23/66/94/365236694.db2.gz XSCPHSOBHDWGOZ-LBPRGKRZSA-N 1 0 252.358 2.282 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@]2(C)CCCS2)C1 ZINC000119731980 365316850 /nfs/dbraw/zinc/31/68/50/365316850.db2.gz QMRSLLARQDSMTE-OCCSQVGLSA-N 1 0 285.457 2.056 10 0 CEAERO CC[C@@H](C)C[NH2+]C[C@H]1CCCN1c1cc(NC)ncn1 ZINC000120371448 365415993 /nfs/dbraw/zinc/41/59/93/365415993.db2.gz PZIHKDOHTVXXBT-CHWSQXEVSA-N 1 0 277.416 2.123 10 0 CEAERO CCC[C@@H](C(=O)NC[C@@H](C)c1c(C)noc1C)[NH+](C)C ZINC000120365993 365413561 /nfs/dbraw/zinc/41/35/61/365413561.db2.gz IBNUDDLULKJOIK-MFKMUULPSA-N 1 0 281.400 2.241 10 0 CEAERO Cc1ccc(CN2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c(C)c1 ZINC000120625071 365452788 /nfs/dbraw/zinc/45/27/88/365452788.db2.gz MMLCDDJZXSFSOC-HZPDHXFCSA-N 1 0 276.424 2.190 10 0 CEAERO Cc1cccc([C@@H](C)[NH2+]C[C@H](O)COC(C)C)c1 ZINC000160215122 366984411 /nfs/dbraw/zinc/98/44/11/366984411.db2.gz DWLKHTUCKVATJL-HIFRSBDPSA-N 1 0 251.370 2.432 10 0 CEAERO O=C(NC1(c2ccc(F)cc2)CCCC1)[C@H]1CC[NH2+]C1 ZINC000237743246 283911494 /nfs/dbraw/zinc/91/14/94/283911494.db2.gz RZXTXPGLGGBIQK-LBPRGKRZSA-N 1 0 276.355 2.321 10 0 CEAERO Cc1c(C[NH2+]CCCN(C)C(=O)OC(C)(C)C)cnn1C ZINC000161964449 367126465 /nfs/dbraw/zinc/12/64/65/367126465.db2.gz SKTANIHFWDGQPV-UHFFFAOYSA-N 1 0 296.415 2.075 10 0 CEAERO Cc1ccc(OC(F)F)c(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC000162016042 367129739 /nfs/dbraw/zinc/12/97/39/367129739.db2.gz PALJKPRZHKGZMM-CMPLNLGQSA-N 1 0 298.333 2.340 10 0 CEAERO CCC[C@H](C(=O)NC[C@H](C)Oc1ccccc1)[NH+](C)C ZINC000162143654 367140055 /nfs/dbraw/zinc/14/00/55/367140055.db2.gz LCKZVNSUFHVEBX-DZGCQCFKSA-N 1 0 278.396 2.300 10 0 CEAERO CCc1cccc(CC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000162154309 367140556 /nfs/dbraw/zinc/14/05/56/367140556.db2.gz JIKRLESXNSVXJW-QGZVFWFLSA-N 1 0 286.419 2.488 10 0 CEAERO C[C@H]1CN(C(=O)Cc2c(F)cccc2Cl)C[C@@H]1C[NH3+] ZINC000638884671 370819697 /nfs/dbraw/zinc/81/96/97/370819697.db2.gz IHAYGZABCNAECB-UWVGGRQHSA-N 1 0 284.762 2.075 10 0 CEAERO OC1(C[NH2+][C@@H]2CCSc3ccccc32)CCOCC1 ZINC000162281109 367148750 /nfs/dbraw/zinc/14/87/50/367148750.db2.gz LVKPGUFSPBIISP-CYBMUJFWSA-N 1 0 279.405 2.355 10 0 CEAERO C[C@@H]1CN(C(=O)C2(c3ccc(Cl)cc3)CC2)C[C@H]1C[NH3+] ZINC000638888241 370821834 /nfs/dbraw/zinc/82/18/34/370821834.db2.gz RNZWCVYJOBAMQB-VXGBXAGGSA-N 1 0 292.810 2.425 10 0 CEAERO C[C@H]1CN(C(=O)CCSc2ccccc2)C[C@H]1C[NH3+] ZINC000638887459 370822120 /nfs/dbraw/zinc/82/21/20/370822120.db2.gz VCPDKOGUXPPUOH-QWHCGFSZSA-N 1 0 278.421 2.222 10 0 CEAERO CCC[C@H](C(=O)NCc1nc2cc(F)ccc2[nH]1)[NH+](C)C ZINC000162364767 367154419 /nfs/dbraw/zinc/15/44/19/367154419.db2.gz RATIVJFPLAOBKW-CYBMUJFWSA-N 1 0 292.358 2.049 10 0 CEAERO C[C@@H]1CN(C(=O)C2(c3ccccc3)CCC2)C[C@@H]1C[NH3+] ZINC000638891861 370824887 /nfs/dbraw/zinc/82/48/87/370824887.db2.gz VDSLURUZSWNASF-KGLIPLIRSA-N 1 0 272.392 2.162 10 0 CEAERO Cc1cc(Cl)ccc1C(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638891425 370824980 /nfs/dbraw/zinc/82/49/80/370824980.db2.gz HGAAUJSGWQEMKY-WDEREUQCSA-N 1 0 266.772 2.315 10 0 CEAERO Cc1cc(Cl)ccc1C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638891422 370825229 /nfs/dbraw/zinc/82/52/29/370825229.db2.gz HGAAUJSGWQEMKY-GHMZBOCLSA-N 1 0 266.772 2.315 10 0 CEAERO Cc1ccc(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)cc1Cl ZINC000638893300 370825367 /nfs/dbraw/zinc/82/53/67/370825367.db2.gz YLDVVYVKVADFHA-CMPLNLGQSA-N 1 0 266.772 2.315 10 0 CEAERO C[C@@H]1CC(C[NH2+]Cc2cn(C(C)(C)C)nn2)C[C@@H](C)O1 ZINC000341462506 367344066 /nfs/dbraw/zinc/34/40/66/367344066.db2.gz OQSIBUOEFOTTJG-VXGBXAGGSA-N 1 0 280.416 2.326 10 0 CEAERO CCn1cc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000341471823 367347897 /nfs/dbraw/zinc/34/78/97/367347897.db2.gz UKULDSMRWOUXSV-CLLJXQQHSA-N 1 0 251.374 2.196 10 0 CEAERO Cc1cccc(N2CC[NH+](CC3(O)CCC3)CC2)c1C ZINC000341397456 367320526 /nfs/dbraw/zinc/32/05/26/367320526.db2.gz NZVRVWMFXTZKHZ-UHFFFAOYSA-N 1 0 274.408 2.340 10 0 CEAERO Cc1cccc(OCCc2noc([C@@H]3CC[NH2+]C3)n2)c1 ZINC000169676524 367370018 /nfs/dbraw/zinc/37/00/18/367370018.db2.gz MYUSHKQOZFVOQH-GFCCVEGCSA-N 1 0 273.336 2.076 10 0 CEAERO CCc1cccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000171070586 367471468 /nfs/dbraw/zinc/47/14/68/367471468.db2.gz UNNSLKJNDDXATM-CQSZACIVSA-N 1 0 261.369 2.417 10 0 CEAERO Cc1cc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)ccc1N(C)C ZINC000171076365 367473375 /nfs/dbraw/zinc/47/33/75/367473375.db2.gz VKNSHWVSSPFKRA-CQSZACIVSA-N 1 0 290.411 2.229 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(F)cc2Cl)C1 ZINC000170863126 367434631 /nfs/dbraw/zinc/43/46/31/367434631.db2.gz RSTDWIFQHVWRQS-JTQLQIEISA-N 1 0 270.735 2.255 10 0 CEAERO Cc1nn(C)c(C)c1C[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000171410741 367536130 /nfs/dbraw/zinc/53/61/30/367536130.db2.gz SAKBPDFTVLWPCI-HNNXBMFYSA-N 1 0 273.384 2.108 10 0 CEAERO Cn1cc([C@H]2CCC[N@@H+]2C[C@H](O)Cc2ccccc2)cn1 ZINC000171412295 367537040 /nfs/dbraw/zinc/53/70/40/367537040.db2.gz ZCNLPTGCWNZWPX-IAGOWNOFSA-N 1 0 285.391 2.161 10 0 CEAERO CCC(CC)NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000171673289 367590292 /nfs/dbraw/zinc/59/02/92/367590292.db2.gz HVCYWILJXDSMRE-OAHLLOKOSA-N 1 0 262.397 2.464 10 0 CEAERO O=C(Nc1ccc2[nH]ccc2c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171892343 367634080 /nfs/dbraw/zinc/63/40/80/367634080.db2.gz IDURQWUVLNIAMK-AWEZNQCLSA-N 1 0 284.363 2.480 10 0 CEAERO C[C@@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1cccs1 ZINC000171898099 367635808 /nfs/dbraw/zinc/63/58/08/367635808.db2.gz WRPWMCZQIBTLSI-VXGBXAGGSA-N 1 0 279.409 2.299 10 0 CEAERO C[C@H](NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)C1CCCC1 ZINC000172234041 367701239 /nfs/dbraw/zinc/70/12/39/367701239.db2.gz ONPPFCCEBDKXAQ-VNHYZAJKSA-N 1 0 279.428 2.443 10 0 CEAERO CCc1onc(C)c1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000245738644 370866980 /nfs/dbraw/zinc/86/69/80/370866980.db2.gz FYJOHMOXGNONRN-ZYHUDNBSSA-N 1 0 292.383 2.246 10 0 CEAERO C[C@H](O)C[N@@H+]1CCN(C/C=C/c2ccc(F)cc2)C[C@H]1C ZINC000245748739 370868634 /nfs/dbraw/zinc/86/86/34/370868634.db2.gz NJMJCYFPCCMBOQ-RYIMYRPNSA-N 1 0 292.398 2.226 10 0 CEAERO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000245929242 370890333 /nfs/dbraw/zinc/89/03/33/370890333.db2.gz IUKDJZJVCCFDMF-UPJWGTAASA-N 1 0 278.421 2.323 10 0 CEAERO CCCC(O)(CCC)CNC(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000172560992 367775791 /nfs/dbraw/zinc/77/57/91/367775791.db2.gz BKPYBRIIYCJXFV-AWEZNQCLSA-N 1 0 299.459 2.101 10 0 CEAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)C(C)C ZINC000245918575 370887117 /nfs/dbraw/zinc/88/71/17/370887117.db2.gz ZDTVYIZVQMGSDS-MCIONIFRSA-N 1 0 267.417 2.299 10 0 CEAERO C[C@H]([NH2+][C@@H](C)c1cccs1)C(=O)NC(=O)NC(C)(C)C ZINC000172604056 367786828 /nfs/dbraw/zinc/78/68/28/367786828.db2.gz RCKLJZINDZTKNR-UWVGGRQHSA-N 1 0 297.424 2.412 10 0 CEAERO CC[C@@H]1CCC[C@H](NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000172641372 367793277 /nfs/dbraw/zinc/79/32/77/367793277.db2.gz OEGKSVWPVJFGEJ-QLFBSQMISA-N 1 0 279.428 2.445 10 0 CEAERO C/C(=C\c1ccccc1)CN1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000245803347 370876119 /nfs/dbraw/zinc/87/61/19/370876119.db2.gz YEPKEDXJSIUJIN-ZBBFWBNCSA-N 1 0 288.435 2.477 10 0 CEAERO CCc1nnc(C[N@@H+]2C[C@@H](C)CCC[C@@H]2C)n1C ZINC000172874246 367833971 /nfs/dbraw/zinc/83/39/71/367833971.db2.gz UKTZSIBBAQGMRX-RYUDHWBXSA-N 1 0 250.390 2.388 10 0 CEAERO C[C@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1cccs1 ZINC000173422448 367909249 /nfs/dbraw/zinc/90/92/49/367909249.db2.gz XUKMWNRSQZCKMW-QWHCGFSZSA-N 1 0 291.420 2.465 10 0 CEAERO CCCc1ncc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)s1 ZINC000173743882 367940276 /nfs/dbraw/zinc/94/02/76/367940276.db2.gz SFGQEPRWTABUFP-RYUDHWBXSA-N 1 0 293.436 2.404 10 0 CEAERO CC(C)n1ncc2cc(C[NH2+]C(C)(C)CCO)cnc21 ZINC000174578714 368043625 /nfs/dbraw/zinc/04/36/25/368043625.db2.gz IJHZBYKWOQQTTB-UHFFFAOYSA-N 1 0 276.384 2.263 10 0 CEAERO C[C@@H](O)C[N@@H+]1CCN(c2cc[nH+]c3ccccc32)C[C@H]1C ZINC000174732440 368061134 /nfs/dbraw/zinc/06/11/34/368061134.db2.gz SJHZBMAITTVDSP-ZIAGYGMSSA-N 1 0 285.391 2.126 10 0 CEAERO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)O1 ZINC000180153294 368369923 /nfs/dbraw/zinc/36/99/23/368369923.db2.gz UOWXUKLHDTYIQL-DTZQCDIJSA-N 1 0 288.391 2.116 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)CSc1ccc(F)c(F)c1 ZINC000335499261 212179758 /nfs/dbraw/zinc/17/97/58/212179758.db2.gz CLFYQHSWMCQQIB-PRHODGIISA-N 1 0 286.347 2.005 10 0 CEAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCc3ncnn3C2)cc1 ZINC000180590596 368388329 /nfs/dbraw/zinc/38/83/29/368388329.db2.gz UHSOJRNKMSNVBU-JSGCOSHPSA-N 1 0 256.353 2.252 10 0 CEAERO C[C@@H]1CN(C(=O)CCc2ccccc2Cl)C[C@@H]1[NH3+] ZINC000335482597 212157541 /nfs/dbraw/zinc/15/75/41/212157541.db2.gz FAGXDTZHVBORNO-MFKMUULPSA-N 1 0 266.772 2.078 10 0 CEAERO C[C@@H]1CN(C(=O)CCc2ccccc2Cl)C[C@H]1[NH3+] ZINC000335482598 212157384 /nfs/dbraw/zinc/15/73/84/212157384.db2.gz FAGXDTZHVBORNO-ZWNOBZJWSA-N 1 0 266.772 2.078 10 0 CEAERO CCCc1cc(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)sc1C ZINC000335482215 212156226 /nfs/dbraw/zinc/15/62/26/212156226.db2.gz BTVXNHZMCNPJFU-SKDRFNHKSA-N 1 0 266.410 2.428 10 0 CEAERO COC[C@@H]([NH2+][C@H](CN(C)C)c1ccccc1)C1CC1 ZINC000126039576 292844062 /nfs/dbraw/zinc/84/40/62/292844062.db2.gz MMOYKFCYNXZGNA-HZPDHXFCSA-N 1 0 262.397 2.304 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CCc1ccc(O)cc1 ZINC000183488825 368629818 /nfs/dbraw/zinc/62/98/18/368629818.db2.gz LJZLSDQLVXLJEU-OAHLLOKOSA-N 1 0 292.423 2.417 10 0 CEAERO CCn1c(C)nnc1C[NH2+][C@@H](CCO)C1CCCCC1 ZINC000183714183 368644365 /nfs/dbraw/zinc/64/43/65/368644365.db2.gz IVHJNDKMWCTAJS-AWEZNQCLSA-N 1 0 280.416 2.027 10 0 CEAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cncc(C)c1)CC2 ZINC000184401383 368692104 /nfs/dbraw/zinc/69/21/04/368692104.db2.gz JBXUHXLCQLAUBK-TZMCWYRMSA-N 1 0 285.395 2.210 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCCCCSC)C1 ZINC000184678904 368710682 /nfs/dbraw/zinc/71/06/82/368710682.db2.gz XSSUMDIMNSVTAF-CYBMUJFWSA-N 1 0 287.473 2.303 10 0 CEAERO C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000246210323 370928164 /nfs/dbraw/zinc/92/81/64/370928164.db2.gz NRBMQDWUEXTTBD-RFQIPJPRSA-N 1 0 267.417 2.205 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCC(C)C ZINC000246105606 370909450 /nfs/dbraw/zinc/90/94/50/370909450.db2.gz HMJDGUZEZLEPRR-KBPBESRZSA-N 1 0 267.417 2.301 10 0 CEAERO C[C@@H]1C[C@@H]1NC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000246122471 370911868 /nfs/dbraw/zinc/91/18/68/370911868.db2.gz NUZTWSNGPWYDCX-DDTOSNHZSA-N 1 0 279.359 2.136 10 0 CEAERO COCC[N@H+](CC[C@H]1C[C@H](C)C[C@H](C)C1)[C@H](C)C(N)=O ZINC000246162267 370918839 /nfs/dbraw/zinc/91/88/39/370918839.db2.gz DLBNRGXZMBQQMJ-BARDWOONSA-N 1 0 284.444 2.271 10 0 CEAERO C[C@H]1C[N@H+](Cc2cc(-c3cnn(C)c3)no2)CCS1 ZINC000184997217 368734188 /nfs/dbraw/zinc/73/41/88/368734188.db2.gz ZCQULZPCJKGGQU-JTQLQIEISA-N 1 0 278.381 2.012 10 0 CEAERO CCc1nccn1[C@H]1CCC[N@H+](CC[C@H]2CCOC2=O)C1 ZINC000246311484 370945349 /nfs/dbraw/zinc/94/53/49/370945349.db2.gz BVPZUJRGNDWSCA-KBPBESRZSA-N 1 0 291.395 2.036 10 0 CEAERO CCc1nc(CN(C)C(=O)[C@]23CCC[C@H]2C[NH2+]C3)cs1 ZINC000634766380 368871989 /nfs/dbraw/zinc/87/19/89/368871989.db2.gz DRQCZQJSWIKQDZ-NHYWBVRUSA-N 1 0 293.436 2.054 10 0 CEAERO O=C(N[C@H]1C[C@H]1c1ccccc1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634738662 368851468 /nfs/dbraw/zinc/85/14/68/368851468.db2.gz WFYBROPVXVNQBQ-JKQORVJESA-N 1 0 270.376 2.048 10 0 CEAERO C[C@H]([NH2+]Cc1ccc2c(c1)CCC(=O)N2C)[C@H]1CCCO1 ZINC000187120168 369105812 /nfs/dbraw/zinc/10/58/12/369105812.db2.gz DETIXCOIQLONJW-BLLLJJGKSA-N 1 0 288.391 2.253 10 0 CEAERO [NH3+][C@H]1CC[C@H](C(=O)Nc2ccc3ncsc3c2)C1 ZINC000226317620 189772149 /nfs/dbraw/zinc/77/21/49/189772149.db2.gz SYGPASBGVCZOIC-IUCAKERBSA-N 1 0 261.350 2.362 10 0 CEAERO CCN(C(=O)CN1CC[C@@H](C)C[C@@H]1C[NH3+])c1ccccc1 ZINC000233427431 284153716 /nfs/dbraw/zinc/15/37/16/284153716.db2.gz SXPKPSBOSHECCN-GDBMZVCRSA-N 1 0 289.423 2.099 10 0 CEAERO [NH3+]C[C@@H](Nc1nc(C(F)(F)F)ns1)C1CCCC1 ZINC000228794821 189795672 /nfs/dbraw/zinc/79/56/72/189795672.db2.gz ZUWGDAKIPJHKMD-SSDOTTSWSA-N 1 0 280.319 2.486 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nccs1 ZINC000246390210 370954700 /nfs/dbraw/zinc/95/47/00/370954700.db2.gz CCMQMJVUNSXALY-NEPJUHHUSA-N 1 0 251.399 2.202 10 0 CEAERO C[C@]1(CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CCCS1 ZINC000246408967 370957693 /nfs/dbraw/zinc/95/76/93/370957693.db2.gz BXCKGHIXYOFILK-DZGCQCFKSA-N 1 0 297.468 2.152 10 0 CEAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C[C@@H]1CC[C@H](C)O1 ZINC000249078257 284163569 /nfs/dbraw/zinc/16/35/69/284163569.db2.gz MCDZTIZLYWNOKM-YTFOTSKYSA-N 1 0 281.396 2.360 10 0 CEAERO COCCN1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000246581354 370981041 /nfs/dbraw/zinc/98/10/41/370981041.db2.gz GCYAIDVZVKJOKI-STQMWFEESA-N 1 0 289.297 2.460 10 0 CEAERO Cc1ccnc(N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)n1 ZINC000190449817 369625016 /nfs/dbraw/zinc/62/50/16/369625016.db2.gz PRBJSQPQXHSHLN-MRXNPFEDSA-N 1 0 297.406 2.138 10 0 CEAERO C[C@H]1OCCC[C@@H]1C(=O)NCc1ccccc1C[NH+](C)C ZINC000191159546 369686387 /nfs/dbraw/zinc/68/63/87/369686387.db2.gz JVVYSORZIXSHKF-CJNGLKHVSA-N 1 0 290.407 2.180 10 0 CEAERO O[C@@H](CN[C@@H]1CCCc2occc21)C[NH+]1CCCCC1 ZINC000192721907 369845472 /nfs/dbraw/zinc/84/54/72/369845472.db2.gz KECQZYCZENWYDY-DZGCQCFKSA-N 1 0 278.396 2.093 10 0 CEAERO C[C@H](O)C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000192999028 369881557 /nfs/dbraw/zinc/88/15/57/369881557.db2.gz RTTKEOVAPXANPA-ZWKOPEQDSA-N 1 0 289.297 2.194 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CN[C@H](C)c1ccnn1C ZINC000193045197 369885045 /nfs/dbraw/zinc/88/50/45/369885045.db2.gz PTHOUCOHLKTSFJ-ZIAGYGMSSA-N 1 0 264.417 2.191 10 0 CEAERO CCCCOC[C@@H](O)C[NH2+][C@@H](C)c1nc(C)cs1 ZINC000193242707 369909840 /nfs/dbraw/zinc/90/98/40/369909840.db2.gz RAKRZWIJBKQJJO-RYUDHWBXSA-N 1 0 272.414 2.280 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc(-c2cccs2)on1 ZINC000193608460 369961361 /nfs/dbraw/zinc/96/13/61/369961361.db2.gz YEHJJRFYFKHZIO-ZJUUUORDSA-N 1 0 291.376 2.273 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H](C)C1CC1 ZINC000193304405 369922979 /nfs/dbraw/zinc/92/29/79/369922979.db2.gz MSOFAFLAWUPBFS-DGCLKSJQSA-N 1 0 255.406 2.060 10 0 CEAERO CCCCOC[C@H](O)C[N@@H+]1CCc2ccc(F)cc2C1 ZINC000193384912 369936012 /nfs/dbraw/zinc/93/60/12/369936012.db2.gz BJOYCRPIFOGVAC-MRXNPFEDSA-N 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OWSQJDPHNODJPC-JKSUJKDBSA-N 1 0 292.338 2.038 10 0 CEAERO Cc1ccc([C@@H](O)C2C[NH2+]C2)cc1Br ZINC000306217388 376544731 /nfs/dbraw/zinc/54/47/31/376544731.db2.gz JTBZBBIULHJZGB-LLVKDONJSA-N 1 0 256.143 2.010 10 0 CEAERO C[C@H](CCCC[NH3+])Nc1ccc(S(C)(=O)=O)cc1F ZINC000311435137 376668385 /nfs/dbraw/zinc/66/83/85/376668385.db2.gz DVRGCUSODIOSKE-SNVBAGLBSA-N 1 0 288.388 2.159 10 0 CEAERO CO[C@@H]1C[C@H](CO)N(Cc2ccc(F)c(Cl)c2)C1 ZINC000310908852 376641499 /nfs/dbraw/zinc/64/14/99/376641499.db2.gz XPPKCHYATJWWKL-GHMZBOCLSA-N 1 0 273.735 2.061 10 0 CEAERO C[C@H]([NH2+]CCn1cncn1)C12CC3CC(CC(C3)C1)C2 ZINC000312327472 376709266 /nfs/dbraw/zinc/70/92/66/376709266.db2.gz SXRHULLDCJIAMU-AXQFOSQISA-N 1 0 274.412 2.473 10 0 CEAERO COc1ccc(F)cc1C[NH2+]C[C@H]1CCC[C@H]1O ZINC000291203035 377119920 /nfs/dbraw/zinc/11/99/20/377119920.db2.gz NFJHSFUEZNPZDD-ZWNOBZJWSA-N 1 0 253.317 2.085 10 0 CEAERO c1ccc(Nc2cc(N[C@H]3CCC[NH2+]C3)ncn2)cc1 ZINC000057330522 542180917 /nfs/dbraw/zinc/18/09/17/542180917.db2.gz 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CCN(C(=O)C[NH2+][C@@H](C)[C@H]1CCCO1)C1CCCCC1 ZINC000183086257 542286408 /nfs/dbraw/zinc/28/64/08/542286408.db2.gz QWWNWGNJBNGHRU-DZGCQCFKSA-N 1 0 282.428 2.325 10 0 CEAERO CNC(=O)[C@H]([NH2+]CCOc1cc(C)ccc1C)C(C)C ZINC000183633691 542293993 /nfs/dbraw/zinc/29/39/93/542293993.db2.gz QNUKYHQXPKBRDR-OAHLLOKOSA-N 1 0 278.396 2.042 10 0 CEAERO C[C@H]1CC[C@H](C(=O)N(C)CC2CCCCC2)C[NH2+]1 ZINC000042495408 184556305 /nfs/dbraw/zinc/55/63/05/184556305.db2.gz NBAZRAWLRRWLOI-JSGCOSHPSA-N 1 0 252.402 2.413 10 0 CEAERO CC[NH2+]Cc1sc(N2CCCO[C@@H](C)C2)nc1C ZINC000061936990 184567989 /nfs/dbraw/zinc/56/79/89/184567989.db2.gz MFGPXMDCSPOGEW-JTQLQIEISA-N 1 0 269.414 2.176 10 0 CEAERO CCOC(=O)[C@H](C)C[NH+]1CCc2ccccc2CC1 ZINC000079573319 184593686 /nfs/dbraw/zinc/59/36/86/184593686.db2.gz DZOJQLLTCOYHBF-CYBMUJFWSA-N 1 0 261.365 2.286 10 0 CEAERO CCC(C)(C)[C@@H]1CC[C@@H]([NH3+])[C@H](Sc2nnnn2C)C1 ZINC000081845887 184597438 /nfs/dbraw/zinc/59/74/38/184597438.db2.gz WLLMLIZNKANXSA-GMTAPVOTSA-N 1 0 283.445 2.234 10 0 CEAERO CCC[NH2+][C@H](C)CSc1nnc2n1CCCCC2 ZINC000081865794 184598687 /nfs/dbraw/zinc/59/86/87/184598687.db2.gz TVHJCSSUYPKLSJ-LLVKDONJSA-N 1 0 268.430 2.485 10 0 CEAERO C[C@@H]1CCCC[C@@H]1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105074783 296333857 /nfs/dbraw/zinc/33/38/57/296333857.db2.gz KUVSPFBKFAAVIV-KFWWJZLASA-N 1 0 279.428 2.445 10 0 CEAERO CCC(CC)(C[NH3+])O[C@H](C)C(=O)N1CCCCCC1 ZINC000086710516 184610124 /nfs/dbraw/zinc/61/01/24/184610124.db2.gz XLRNVNDJBUNQMZ-CYBMUJFWSA-N 1 0 270.417 2.312 10 0 CEAERO CNC(=O)[C@H](C)OC1(C[NH3+])CCC(C(C)(C)C)CC1 ZINC000086713718 184610328 /nfs/dbraw/zinc/61/03/28/184610328.db2.gz NHMBVIVEBNRUPF-BZUNDVKYSA-N 1 0 270.417 2.071 10 0 CEAERO C[C@@H](OC1(C[NH3+])CCCCCC1)C(=O)NC(C)(C)C ZINC000086724495 184610381 /nfs/dbraw/zinc/61/03/81/184610381.db2.gz QKSFEFDHJVCVKJ-GFCCVEGCSA-N 1 0 270.417 2.358 10 0 CEAERO C[NH2+][C@@H](C[C@H]1CCCO1)c1ccc2c(c1)CCC(=O)N2 ZINC000087213222 184612978 /nfs/dbraw/zinc/61/29/78/184612978.db2.gz AMSVOBPNXVGRCM-HIFRSBDPSA-N 1 0 274.364 2.401 10 0 CEAERO CCCN(C(C)C)S(=O)(=O)Cc1cccc(C[NH2+]C)c1 ZINC000088945737 184614923 /nfs/dbraw/zinc/61/49/23/184614923.db2.gz XBAYQMCHMUXWRG-UHFFFAOYSA-N 1 0 298.452 2.356 10 0 CEAERO CCC[NH2+]C[C@](C)(O)COc1ccc(Cl)cc1 ZINC000090822804 184618394 /nfs/dbraw/zinc/61/83/94/184618394.db2.gz OBFQJYNMASFEHN-ZDUSSCGKSA-N 1 0 257.761 2.469 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCN(CC)c1ccccc1 ZINC000085239247 184606903 /nfs/dbraw/zinc/60/69/03/184606903.db2.gz FFDLAESYPLRIIU-OAHLLOKOSA-N 1 0 250.386 2.264 10 0 CEAERO CCN(CC[C@](C)(CO)[NH2+]C1CC1)c1ccccc1 ZINC000085239221 184607081 /nfs/dbraw/zinc/60/70/81/184607081.db2.gz GICALCYPICIMDQ-MRXNPFEDSA-N 1 0 262.397 2.406 10 0 CEAERO O=C(Nc1cccc(F)c1)OCC1CC[NH2+]CC1 ZINC000092742653 184624600 /nfs/dbraw/zinc/62/46/00/184624600.db2.gz IAYODIWYTAQDGA-UHFFFAOYSA-N 1 0 252.289 2.374 10 0 CEAERO CC[N@@H+]1C[C@@H](C)[C@@H](NCc2ccc(Br)o2)C1 ZINC000381296589 542351985 /nfs/dbraw/zinc/35/19/85/542351985.db2.gz GQZNTNRRUXMGFN-KOLCDFICSA-N 1 0 287.201 2.472 10 0 CEAERO COCC[NH2+]C[C@H]1CCCO[C@@H]1c1cccc(OC)c1 ZINC000092888509 184633738 /nfs/dbraw/zinc/63/37/38/184633738.db2.gz SCTVAQLXHZLOHD-GDBMZVCRSA-N 1 0 279.380 2.399 10 0 CEAERO CC[NH2+]C[C@H](Cc1ncnn1CC)c1cccc(F)c1 ZINC000093164284 184652942 /nfs/dbraw/zinc/65/29/42/184652942.db2.gz VRADGQWJLTYAKT-ZDUSSCGKSA-N 1 0 276.359 2.373 10 0 CEAERO COc1ccc(OC)c([C@H](C)N[C@@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000400707356 532985831 /nfs/dbraw/zinc/98/58/31/532985831.db2.gz LHYITHGBGGIEJL-RWMBFGLXSA-N 1 0 278.396 2.352 10 0 CEAERO COc1cc(N[C@@H](C)[C@H]2CC[NH2+]C2)cc(OC)c1 ZINC000400343927 533037533 /nfs/dbraw/zinc/03/75/33/533037533.db2.gz GOMQLMMJVVQLAX-QWRGUYRKSA-N 1 0 250.342 2.114 10 0 CEAERO O=C1NCCC[C@H]1C[N@@H+]1CCCC12CCCCC2 ZINC000334558166 296369985 /nfs/dbraw/zinc/36/99/85/296369985.db2.gz XKDMSJYCXHIOJX-ZDUSSCGKSA-N 1 0 250.386 2.311 10 0 CEAERO O=[S@@](c1nc2ccccc2s1)[C@@H]1CCC[NH2+]C1 ZINC000095073403 285191040 /nfs/dbraw/zinc/19/10/40/285191040.db2.gz HXWQBTKEXFOXKE-XLFHBGCDSA-N 1 0 266.391 2.156 10 0 CEAERO COc1ccc(C(=O)C[C@H]2CCCC[NH2+]2)c(OC)c1 ZINC000093487578 184683012 /nfs/dbraw/zinc/68/30/12/184683012.db2.gz IBKMLLZSBLAIJW-LLVKDONJSA-N 1 0 263.337 2.419 10 0 CEAERO CC(C)[C@@H]1C[C@@]2(C[NH+]=C(N)N2Cc2cccs2)CCO1 ZINC000093393070 184670268 /nfs/dbraw/zinc/67/02/68/184670268.db2.gz WSPHEGKWTFINHM-DZGCQCFKSA-N 1 0 293.436 2.452 10 0 CEAERO [NH2+]=C1NC[C@H](c2c(F)cccc2F)N1CC1CC1 ZINC000093393588 184670467 /nfs/dbraw/zinc/67/04/67/184670467.db2.gz KCHLHBSBKRFANZ-LLVKDONJSA-N 1 0 251.280 2.046 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C)C(=O)N1CCCCCC1 ZINC000245465127 285274783 /nfs/dbraw/zinc/27/47/83/285274783.db2.gz IHWWLASPJNBARJ-CVEARBPZSA-N 1 0 295.471 2.194 10 0 CEAERO CC(C)[N@H+](CCOCCO)C[C@H]1Cc2ccccc21 ZINC000287110125 196781984 /nfs/dbraw/zinc/78/19/84/196781984.db2.gz WSCPYMYQYSYBGM-OAHLLOKOSA-N 1 0 263.381 2.046 10 0 CEAERO CC[NH2+][C@@H](C)CS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000081946514 177907540 /nfs/dbraw/zinc/90/75/40/177907540.db2.gz JZTPJUBRQSKORK-QMMMGPOBSA-N 1 0 279.764 2.251 10 0 CEAERO CCC[C@@H]([NH2+]C)[C@H](CC)Sc1nnc(C)n1C ZINC000081886473 177877792 /nfs/dbraw/zinc/87/77/92/177877792.db2.gz JTIPRAHNQASQAZ-MNOVXSKESA-N 1 0 256.419 2.382 10 0 CEAERO Cc1cc(S[C@@H]2Cc3ccccc3[C@H]2[NH3+])n(C)n1 ZINC000081884914 177875942 /nfs/dbraw/zinc/87/59/42/177875942.db2.gz ZJIPVGXSGFEHHQ-TZMCWYRMSA-N 1 0 259.378 2.445 10 0 CEAERO CCC[C@H]([NH3+])[C@H](CC)Sc1ncnc2[nH]cnc21 ZINC000081876575 177871251 /nfs/dbraw/zinc/87/12/51/177871251.db2.gz CULXOIUINJJJQX-IUCAKERBSA-N 1 0 265.386 2.351 10 0 CEAERO CC[NH2+][C@H](C)[C@H](C)Sc1nnnn1-c1ccccc1 ZINC000081869232 177868722 /nfs/dbraw/zinc/86/87/22/177868722.db2.gz TUULNASDESIYBD-MNOVXSKESA-N 1 0 277.397 2.141 10 0 CEAERO C[C@H](Sc1nnnn1C1CC1)[C@H]([NH3+])c1ccccc1 ZINC000081867678 177867731 /nfs/dbraw/zinc/86/77/31/177867731.db2.gz PLYGLDGCWYWPQZ-CABZTGNLSA-N 1 0 275.381 2.189 10 0 CEAERO CC[NH2+][C@H](CSCCO)c1ccc(OC)cc1 ZINC000081797022 177862344 /nfs/dbraw/zinc/86/23/44/177862344.db2.gz BHCWSHYCVQAGRO-CYBMUJFWSA-N 1 0 255.383 2.071 10 0 CEAERO CC(C)COc1cccc(NC(=O)CC2C[NH2+]C2)c1 ZINC000081749264 177853092 /nfs/dbraw/zinc/85/30/92/177853092.db2.gz SOWVUADEDKUVFE-UHFFFAOYSA-N 1 0 262.353 2.269 10 0 CEAERO CCOC(=O)CCC[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000081545652 177815138 /nfs/dbraw/zinc/81/51/38/177815138.db2.gz LPTGHWLWWUWDIS-QWHCGFSZSA-N 1 0 257.374 2.123 10 0 CEAERO O[C@@H]1CCCC[C@H]1[N@@H+]1CCOc2ccc(F)cc2C1 ZINC000336453769 285314187 /nfs/dbraw/zinc/31/41/87/285314187.db2.gz PSJYNADCIGPXOS-ZIAGYGMSSA-N 1 0 265.328 2.324 10 0 CEAERO NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000379442074 256846174 /nfs/dbraw/zinc/84/61/74/256846174.db2.gz QOCQBJHQQKBBMA-IRXDYDNUSA-N 1 0 280.371 2.388 10 0 CEAERO CCOC[C@@H](O)C[N@H+](C)[C@@H](C)Cc1cccs1 ZINC000080835058 177713399 /nfs/dbraw/zinc/71/33/99/177713399.db2.gz WCULPKLLATWVHI-RYUDHWBXSA-N 1 0 257.399 2.008 10 0 CEAERO CCC[NH2+][C@@H](Cc1cnn(CC)c1)[C@@H](C)OCC ZINC000080759033 177705004 /nfs/dbraw/zinc/70/50/04/177705004.db2.gz ZPGRHEGFIMHYBV-OCCSQVGLSA-N 1 0 253.390 2.239 10 0 CEAERO CCO[C@H](C)c1noc([C@]2(CC)CCC[NH2+]C2)n1 ZINC000080741735 177697178 /nfs/dbraw/zinc/69/71/78/177697178.db2.gz LDXPGFKJNWEDFL-ZWNOBZJWSA-N 1 0 253.346 2.198 10 0 CEAERO CC1(C)Cc2cccc([C@H](CO)[NH2+]C[C@@H]3CCCO3)c2O1 ZINC000080510518 177661366 /nfs/dbraw/zinc/66/13/66/177661366.db2.gz KCXMPJOZVZZAHX-ZFWWWQNUSA-N 1 0 291.391 2.202 10 0 CEAERO CCC[NH2+][C@H]1CCCN([C@H](C)c2nccs2)C1=O ZINC000080331569 177642741 /nfs/dbraw/zinc/64/27/41/177642741.db2.gz HOJAHJVRNSQXTQ-MNOVXSKESA-N 1 0 267.398 2.195 10 0 CEAERO COC[C@H](C)[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000248599980 285341573 /nfs/dbraw/zinc/34/15/73/285341573.db2.gz NOMRAJYLTQOSAR-XDQVBPFNSA-N 1 0 298.427 2.256 10 0 CEAERO CC(C)(C[NH2+]Cc1c[nH]c2ccccc12)S(C)(=O)=O ZINC000093521087 184687362 /nfs/dbraw/zinc/68/73/62/184687362.db2.gz ZNEXTLJTIIYHMM-UHFFFAOYSA-N 1 0 280.393 2.081 10 0 CEAERO COc1cc(C)ccc1OCC[C@@H]1CCC[C@]1([NH3+])CO ZINC000093621633 184697086 /nfs/dbraw/zinc/69/70/86/184697086.db2.gz HKHMKEKHWWMDHZ-BBRMVZONSA-N 1 0 279.380 2.262 10 0 CEAERO CC[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCO[C@@H](C)CC(C)C ZINC000093620901 184697244 /nfs/dbraw/zinc/69/72/44/184697244.db2.gz VCVKPBCFDZXMAA-SQWLQELKSA-N 1 0 284.444 2.461 10 0 CEAERO CCCCSCC[C@H]1CCC[C@]1([NH2+]C)C(N)=O ZINC000093626648 184698196 /nfs/dbraw/zinc/69/81/96/184698196.db2.gz CFYVFDLGTBIRNA-DGCLKSJQSA-N 1 0 258.431 2.153 10 0 CEAERO [NH3+]C[C@]1(O)CCC[C@@H]1CCOc1ccc(F)cc1 ZINC000093628076 184699056 /nfs/dbraw/zinc/69/90/56/184699056.db2.gz RCAYOTPVEUJZAK-BXUZGUMPSA-N 1 0 253.317 2.085 10 0 CEAERO CCc1nccn1[C@@H]1CCC[C@@](CO)([NH2+]C2CC2)C1 ZINC000093784341 184720784 /nfs/dbraw/zinc/72/07/84/184720784.db2.gz WCPBONUYEQYDAE-UKRRQHHQSA-N 1 0 263.385 2.044 10 0 CEAERO C[NH2+][C@@]1(CO)CCC[C@H](n2cnc3ccccc32)C1 ZINC000093784138 184721532 /nfs/dbraw/zinc/72/15/32/184721532.db2.gz AOKWCTDKTGZJQI-WFASDCNBSA-N 1 0 259.353 2.102 10 0 CEAERO CC[NH2+][C@@]1(CO)CCC[C@@H](SC2CCOCC2)C1 ZINC000093786340 184721917 /nfs/dbraw/zinc/72/19/17/184721917.db2.gz IVDUEQXVNCCHEE-KGLIPLIRSA-N 1 0 273.442 2.182 10 0 CEAERO CCCCOCCO[C@@H]1CCC[C@@](CO)([NH2+]C2CC2)C1 ZINC000093784865 184721936 /nfs/dbraw/zinc/72/19/36/184721936.db2.gz IGZUKBFRDLISGK-HZPDHXFCSA-N 1 0 285.428 2.245 10 0 CEAERO CC(C)[NH2+][C@]1(CO)CCC[C@@H](Oc2cccc(CO)c2)C1 ZINC000093784747 184722135 /nfs/dbraw/zinc/72/21/35/184722135.db2.gz FXCXCTBKCDJONS-IAGOWNOFSA-N 1 0 293.407 2.229 10 0 CEAERO CCC[NH2+][C@@]1(CO)CCC[C@@H](Sc2ccncn2)C1 ZINC000093786292 184722138 /nfs/dbraw/zinc/72/21/38/184722138.db2.gz VJODWACISRIECL-OCCSQVGLSA-N 1 0 281.425 2.242 10 0 CEAERO CCC[NH2+][C@H]1CC[C@@H](N2CCN(CC(F)(F)F)CC2)C1 ZINC000093797638 184722303 /nfs/dbraw/zinc/72/23/03/184722303.db2.gz IENHDXTXXDAKSZ-QWHCGFSZSA-N 1 0 293.377 2.087 10 0 CEAERO CCC[NH2+][C@H](c1ccco1)[C@H]1CN(CC)CCO1 ZINC000093915272 184742201 /nfs/dbraw/zinc/74/22/01/184742201.db2.gz XHITVRUBOFPKJZ-ZIAGYGMSSA-N 1 0 252.358 2.041 10 0 CEAERO CC[NH2+][C@H](C1CCCC1)[C@H]1CN(C(C)C)CCO1 ZINC000093927904 184744660 /nfs/dbraw/zinc/74/46/60/184744660.db2.gz CMWITNGWSSIRRC-HUUCEWRRSA-N 1 0 254.418 2.264 10 0 CEAERO COCC[NH2+]CC[C@](C)(O)c1ccc(Cl)c(OC)c1 ZINC000094009423 184749825 /nfs/dbraw/zinc/74/98/25/184749825.db2.gz PXPSPIJXRPDZPN-AWEZNQCLSA-N 1 0 287.787 2.182 10 0 CEAERO Cc1ccc(C(=O)N(CC2CC[NH2+]CC2)C2CC2)o1 ZINC000094023509 184750975 /nfs/dbraw/zinc/75/09/75/184750975.db2.gz ULKIMRHLAPEVTE-UHFFFAOYSA-N 1 0 262.353 2.192 10 0 CEAERO CC[NH2+]Cc1c(C)nc(-c2ccc(F)cn2)nc1C ZINC000094050848 184752587 /nfs/dbraw/zinc/75/25/87/184752587.db2.gz GBHDOAUIIXKODE-UHFFFAOYSA-N 1 0 260.316 2.404 10 0 CEAERO CCc1ccc(C[C@@](C)(O)C[NH2+]CC(C)C)nc1 ZINC000094140945 184756018 /nfs/dbraw/zinc/75/60/18/184756018.db2.gz KNTDXUHVNISIKI-OAHLLOKOSA-N 1 0 250.386 2.183 10 0 CEAERO CC[NH2+][C@@H](C(OCC)OCC)[C@@H]1CCc2cccnc21 ZINC000094138868 184756059 /nfs/dbraw/zinc/75/60/59/184756059.db2.gz QRMSEINUNVLYAL-UKRRQHHQSA-N 1 0 278.396 2.489 10 0 CEAERO Cn1c2ccccc2nc1C[C@H](O)C(C)(C)[NH+]1CCCC1 ZINC000094170493 184758940 /nfs/dbraw/zinc/75/89/40/184758940.db2.gz YGYRHSOEBUUVHE-HNNXBMFYSA-N 1 0 287.407 2.351 10 0 CEAERO CCn1c(C[C@@H]([NH3+])[C@@H]2CCCO2)nc2ccccc21 ZINC000094171540 184759239 /nfs/dbraw/zinc/75/92/39/184759239.db2.gz PTKBDCAMEKEVBD-RISCZKNCSA-N 1 0 259.353 2.105 10 0 CEAERO CC[NH2+][C@H](COCC)Cc1nc2ccccc2n1C ZINC000094171795 184759380 /nfs/dbraw/zinc/75/93/80/184759380.db2.gz CHWFGDHMUUODTF-LBPRGKRZSA-N 1 0 261.369 2.130 10 0 CEAERO CCn1c2ccc([C@H]([NH2+]C)[C@@H]3CCO[C@@H]3C)cc2oc1=O ZINC000094176950 184759480 /nfs/dbraw/zinc/75/94/80/184759480.db2.gz VERRZUBXOSZUOE-HCKVZZMMSA-N 1 0 290.363 2.300 10 0 CEAERO CCn1c2ccc([C@H]([NH2+]C)[C@H]3CCO[C@@H]3C)cc2oc1=O ZINC000094176952 184759627 /nfs/dbraw/zinc/75/96/27/184759627.db2.gz VERRZUBXOSZUOE-GMXABZIVSA-N 1 0 290.363 2.300 10 0 CEAERO CC[NH2+][C@H](c1ccc2c(c1)NC(=O)CO2)[C@H]1CCO[C@@H]1C ZINC000094176513 184759725 /nfs/dbraw/zinc/75/97/25/184759725.db2.gz TYPPBHQXXIBKBT-RSAASHCRSA-N 1 0 290.363 2.093 10 0 CEAERO [NH3+]CCc1nnc(-c2ccc(F)c(F)c2F)s1 ZINC000094186151 184760562 /nfs/dbraw/zinc/76/05/62/184760562.db2.gz UPJSKVNTNXLNKG-UHFFFAOYSA-N 1 0 259.256 2.124 10 0 CEAERO CCC(CC)NC(=O)[C@H](C)Oc1ccc(C[C@H](C)[NH3+])nc1 ZINC000094215443 184763830 /nfs/dbraw/zinc/76/38/30/184763830.db2.gz IEYOQAIGBJJYIW-RYUDHWBXSA-N 1 0 293.411 2.043 10 0 CEAERO CC[C@](C)([NH3+])C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000094234682 184767603 /nfs/dbraw/zinc/76/76/03/184767603.db2.gz GFQXOOLPJDKLOG-ZDUSSCGKSA-N 1 0 254.761 2.426 10 0 CEAERO CCOc1cc(NC(=O)[C@@](C)([NH3+])CC)ccc1OC ZINC000094233668 184767858 /nfs/dbraw/zinc/76/78/58/184767858.db2.gz OTRSLCSHOGNPNM-AWEZNQCLSA-N 1 0 266.341 2.160 10 0 CEAERO CCC([NH3+])(CC)C(=O)Nc1cc(OC)ccc1OC ZINC000094243487 184769352 /nfs/dbraw/zinc/76/93/52/184769352.db2.gz CVPSDNWFHJSDSL-UHFFFAOYSA-N 1 0 266.341 2.160 10 0 CEAERO Cc1cscc1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1(C)C ZINC000094248435 184769748 /nfs/dbraw/zinc/76/97/48/184769748.db2.gz BDAZFAXACGTEPC-ZYHUDNBSSA-N 1 0 264.394 2.127 10 0 CEAERO CCC[NH2+][C@@H](Cc1nccs1)[C@@H]1CN(CCC)CCO1 ZINC000094253739 184770303 /nfs/dbraw/zinc/77/03/03/184770303.db2.gz SCDQWILSHZXWBU-KBPBESRZSA-N 1 0 297.468 2.165 10 0 CEAERO CCOc1ccc2nc(CC3C[C@H]4CC[C@@H](C3)[NH2+]4)[nH]c2n1 ZINC000094262529 184770718 /nfs/dbraw/zinc/77/07/18/184770718.db2.gz RNWSBWMQDRADNT-YOGCLGLASA-N 1 0 286.379 2.430 10 0 CEAERO CCOc1ccc2nc([C@@H](C[NH3+])c3ccccc3)[nH]c2n1 ZINC000094262597 184770949 /nfs/dbraw/zinc/77/09/49/184770949.db2.gz IVOAJMNNXIQULO-LBPRGKRZSA-N 1 0 282.347 2.447 10 0 CEAERO [NH3+]C1(CC(=O)N2CCC[C@H]3CCCC[C@@H]32)CCC1 ZINC000094293630 184777444 /nfs/dbraw/zinc/77/74/44/184777444.db2.gz QNLPOYSBNHCXTQ-OLZOCXBDSA-N 1 0 250.386 2.439 10 0 CEAERO CC[NH2+][C@@H]1[C@H](S(=O)(=O)[C@@H](C)CC)CCC1(C)C ZINC000094311238 184778378 /nfs/dbraw/zinc/77/83/78/184778378.db2.gz LEAKGEBGDXAHJV-QJPTWQEYSA-N 1 0 261.431 2.366 10 0 CEAERO CC1(C)CC[C@@H](Sc2nnnn2C2CCCC2)[C@H]1[NH3+] ZINC000094312971 184779509 /nfs/dbraw/zinc/77/95/09/184779509.db2.gz XNKQMBMZOKIRKF-GHMZBOCLSA-N 1 0 281.429 2.396 10 0 CEAERO Cc1ccc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1N ZINC000094462087 184805244 /nfs/dbraw/zinc/80/52/44/184805244.db2.gz WYJFGONNTSNYSQ-DZGCQCFKSA-N 1 0 259.397 2.246 10 0 CEAERO [NH3+]CC1CC(O[C@H]2CCOC3(CCSCC3)C2)C1 ZINC000094381298 184791432 /nfs/dbraw/zinc/79/14/32/184791432.db2.gz KCKFVPROIKYWDD-CPCZMJQVSA-N 1 0 271.426 2.185 10 0 CEAERO C[NH2+][C@H]([C@@H]1CCOC2(CCC2)C1)C(C)(C)N1CCOCC1 ZINC000094406959 184794086 /nfs/dbraw/zinc/79/40/86/184794086.db2.gz NAUBANOQJWDKSN-HUUCEWRRSA-N 1 0 296.455 2.035 10 0 CEAERO CCC[NH2+]Cc1cnn([C@@H]2CCOC3(CCOCC3)C2)c1 ZINC000094412530 184794797 /nfs/dbraw/zinc/79/47/97/184794797.db2.gz YTUQWPFQFKGVEN-OAHLLOKOSA-N 1 0 293.411 2.283 10 0 CEAERO CC(C)(C)[NH2+]CC[C@@](C)(O)[C@@H]1CCOC2(CCOCC2)C1 ZINC000094418731 184795010 /nfs/dbraw/zinc/79/50/10/184795010.db2.gz XYPRSIHUMBEKLJ-GDBMZVCRSA-N 1 0 299.455 2.491 10 0 CEAERO C[NH2+]C1CCC(O)([C@@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000094418390 184795017 /nfs/dbraw/zinc/79/50/17/184795017.db2.gz GIVZIBFFURALKG-JLVJUDLZSA-N 1 0 285.453 2.182 10 0 CEAERO [NH3+]C1CCC(O)([C@@H]2CCOC3(CCSCC3)C2)CC1 ZINC000094418366 184795195 /nfs/dbraw/zinc/79/51/95/184795195.db2.gz PDYMQXOPBRRHDI-DNOWBOINSA-N 1 0 285.453 2.311 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1CNc1ccc2nccnc2n1 ZINC000094727605 184847910 /nfs/dbraw/zinc/84/79/10/184847910.db2.gz OEERBWFDZAHPME-RYUDHWBXSA-N 1 0 271.368 2.202 10 0 CEAERO [NH3+][C@H]1CCCCC[C@H]1C(=O)Nc1ccc2c[nH]nc2c1 ZINC000094750735 184852182 /nfs/dbraw/zinc/85/21/82/184852182.db2.gz LAJXODHILCCMSL-OLZOCXBDSA-N 1 0 272.352 2.409 10 0 CEAERO CC(C)(C)[C@H]([NH3+])Cc1nc([C@@]2(C)CCCO2)no1 ZINC000094786094 184863473 /nfs/dbraw/zinc/86/34/73/184863473.db2.gz RLEDGWHJXWZQGE-NOZJJQNGSA-N 1 0 253.346 2.011 10 0 CEAERO C[C@@]1(C(=O)N2C[C@H](CC[NH3+])c3ccccc32)CCCO1 ZINC000094790203 184864558 /nfs/dbraw/zinc/86/45/58/184864558.db2.gz OBPMFPKSSUNQRX-LRDDRELGSA-N 1 0 274.364 2.035 10 0 CEAERO CC[NH2+][C@@H](c1ccc2c(c1)CC(=O)N2)[C@]1(C)CCCO1 ZINC000094788395 184864914 /nfs/dbraw/zinc/86/49/14/184864914.db2.gz RAHBQJAVGRAPHK-HOTGVXAUSA-N 1 0 274.364 2.401 10 0 CEAERO CC[NH2+]CCCc1nnc([C@@]2(C)CCCO2)s1 ZINC000094793020 184865301 /nfs/dbraw/zinc/86/53/01/184865301.db2.gz ZHPOVVJIHIBKIA-GFCCVEGCSA-N 1 0 255.387 2.106 10 0 CEAERO CC(C)[NH2+]CCc1nnc([C@@]2(C)CCCO2)s1 ZINC000094793054 184865688 /nfs/dbraw/zinc/86/56/88/184865688.db2.gz ZSJXSGHJVTZMHT-GFCCVEGCSA-N 1 0 255.387 2.104 10 0 CEAERO C[C@@H]1SCCC[C@]12C[NH+]=C(N)N2Cc1ccccc1 ZINC000094481339 184808370 /nfs/dbraw/zinc/80/83/70/184808370.db2.gz WSMBBXJMRNWYQF-WFASDCNBSA-N 1 0 275.421 2.471 10 0 CEAERO COc1ccc(N2C(=[NH2+])NC[C@@]23CCCS[C@H]3C)cc1 ZINC000094481349 184808656 /nfs/dbraw/zinc/80/86/56/184808656.db2.gz ATYRGVRVKAINCA-XHDPSFHLSA-N 1 0 291.420 2.484 10 0 CEAERO C[NH2+][C@@H](C)[C@@H](C)c1nc(CCC(F)(F)F)no1 ZINC000094494260 184810150 /nfs/dbraw/zinc/81/01/50/184810150.db2.gz NUAYUZPFSXSDQU-RQJHMYQMSA-N 1 0 251.252 2.276 10 0 CEAERO c1cc(C[NH2+]C2CC2)nc([C@@H]2CSCCS2)n1 ZINC000094500082 184810283 /nfs/dbraw/zinc/81/02/83/184810283.db2.gz JMAJUVISGGWYRN-NSHDSACASA-N 1 0 267.423 2.250 10 0 CEAERO [NH3+]CCc1ccc(-c2nc([C@H]3CSCCO3)no2)cc1 ZINC000094501939 184810901 /nfs/dbraw/zinc/81/09/01/184810901.db2.gz UPHSKINZYIJICL-GFCCVEGCSA-N 1 0 291.376 2.042 10 0 CEAERO CC(C)C[C@@H](C[NH3+])Cc1nc([C@@H]2CSCCO2)no1 ZINC000094502187 184811037 /nfs/dbraw/zinc/81/10/37/184811037.db2.gz LUICQLVKHDCWOY-MNOVXSKESA-N 1 0 285.413 2.038 10 0 CEAERO CCC[NH2+][C@@H](c1sccc1C)[C@H]1CN(C)CCO1 ZINC000094541084 184815533 /nfs/dbraw/zinc/81/55/33/184815533.db2.gz YDBJTBSVAZCIMG-CHWSQXEVSA-N 1 0 268.426 2.428 10 0 CEAERO C[C@H]1C[C@H]([NH3+])CN(C(=O)c2cc(Cl)ccc2F)C1 ZINC000094549859 184816645 /nfs/dbraw/zinc/81/66/45/184816645.db2.gz QELQVEVYOPELFX-WPRPVWTQSA-N 1 0 270.735 2.288 10 0 CEAERO Cc1cccc(Cc2noc([C@@H]3CC[C@@H](C[NH3+])O3)n2)c1 ZINC000094560929 184818584 /nfs/dbraw/zinc/81/85/84/184818584.db2.gz VYDSPZVYEXFMKE-STQMWFEESA-N 1 0 273.336 2.148 10 0 CEAERO [NH3+]C[C@H]1CC[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)O1 ZINC000094563431 184818831 /nfs/dbraw/zinc/81/88/31/184818831.db2.gz KPGKPBDDRRJASM-LDYMZIIASA-N 1 0 289.162 2.438 10 0 CEAERO Cc1ccn2nc(NC[C@H]([NH3+])c3ccccc3)nc2c1 ZINC000094607837 184825934 /nfs/dbraw/zinc/82/59/34/184825934.db2.gz WXXKKXBDLALICL-ZDUSSCGKSA-N 1 0 267.336 2.150 10 0 CEAERO C[NH2+][C@H](Cc1ccc(OC)nc1)Cc1cccc(OC)c1 ZINC000094632608 184829561 /nfs/dbraw/zinc/82/95/61/184829561.db2.gz KXVJRDOBFXRBAL-HNNXBMFYSA-N 1 0 286.375 2.472 10 0 CEAERO COc1ccc(C[C@@H]([NH3+])c2ccc(OC)c(OC)c2)cn1 ZINC000094632320 184829799 /nfs/dbraw/zinc/82/97/99/184829799.db2.gz PRBADMZSRYOCFG-CYBMUJFWSA-N 1 0 288.347 2.350 10 0 CEAERO CC[NH2+][C@H](c1cc(OC)cc(OC)c1)[C@@H]1CCOC1 ZINC000094651316 184835078 /nfs/dbraw/zinc/83/50/78/184835078.db2.gz AMDAITBREDKWAX-ABAIWWIYSA-N 1 0 265.353 2.391 10 0 CEAERO CCOC(=O)c1ccsc1NC(=O)[C@H](C[NH3+])CC(C)C ZINC000094699577 184842440 /nfs/dbraw/zinc/84/24/40/184842440.db2.gz XRWPXBRWIYANBD-JTQLQIEISA-N 1 0 298.408 2.484 10 0 CEAERO CCOCc1ccccc1CNC(=O)[C@@H](C[NH3+])CC(C)C ZINC000094698160 184842530 /nfs/dbraw/zinc/84/25/30/184842530.db2.gz VIMFUTLMHVWDBD-MRXNPFEDSA-N 1 0 292.423 2.460 10 0 CEAERO Cc1ncc(CN(C)C(=O)[C@@H](C[NH3+])CC(C)C)s1 ZINC000094698750 184842806 /nfs/dbraw/zinc/84/28/06/184842806.db2.gz YDYFMPOHARGIBP-LLVKDONJSA-N 1 0 269.414 2.031 10 0 CEAERO [NH3+]CCCc1nnc(Cc2cccc(F)c2F)s1 ZINC000094714926 184845582 /nfs/dbraw/zinc/84/55/82/184845582.db2.gz DHTCJJMMTRHFLV-UHFFFAOYSA-N 1 0 269.320 2.298 10 0 CEAERO Cc1csc(CN2C[C@@H](C3CC3)[NH2+]C[C@@H]2C2CC2)n1 ZINC000094980462 184909776 /nfs/dbraw/zinc/90/97/76/184909776.db2.gz GCIIOYPDNDUTNK-UONOGXRCSA-N 1 0 277.437 2.414 10 0 CEAERO Cc1csc(CN2CC[NH2+]C[C@@H]2CC(C)C)n1 ZINC000094979320 184909983 /nfs/dbraw/zinc/90/99/83/184909983.db2.gz VUKIDISVOWTCJB-LBPRGKRZSA-N 1 0 253.415 2.271 10 0 CEAERO CC1(C)CCC[C@@](C[NH3+])(Cc2nccs2)[C@H]1O ZINC000094981968 184910366 /nfs/dbraw/zinc/91/03/66/184910366.db2.gz NHORNFNRSZLOMA-AAEUAGOBSA-N 1 0 254.399 2.202 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C)CN1Cc1nc(C)c(C)s1 ZINC000094979328 184910464 /nfs/dbraw/zinc/91/04/64/184910464.db2.gz LVRMBPHITQLZHP-JOYOIKCWSA-N 1 0 253.415 2.332 10 0 CEAERO CC[NH+](CC)[C@@H]1CCN(c2cc([C@@H](C)O)ccn2)C1 ZINC000095003460 184913828 /nfs/dbraw/zinc/91/38/28/184913828.db2.gz NQGILEYPFMOVCN-TZMCWYRMSA-N 1 0 263.385 2.055 10 0 CEAERO CN(C)C(=O)c1ccc(Oc2ccc(CC[NH3+])cc2)nc1 ZINC000095014347 184915972 /nfs/dbraw/zinc/91/59/72/184915972.db2.gz GOGDTVYTQGCFNJ-UHFFFAOYSA-N 1 0 285.347 2.077 10 0 CEAERO CN(C(=O)Cc1ccc(F)c(F)c1)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000095047054 184923981 /nfs/dbraw/zinc/92/39/81/184923981.db2.gz UETHTUHAKVWWJT-IUODEOHRSA-N 1 0 296.361 2.483 10 0 CEAERO C[C@H](C[NH3+])c1noc(Cc2ccc(F)c(F)c2)n1 ZINC000095059020 184927530 /nfs/dbraw/zinc/92/75/30/184927530.db2.gz KJLSGDOBNBVLHU-SSDOTTSWSA-N 1 0 253.252 2.001 10 0 CEAERO Cc1cnc(OCCC2CC[NH2+]CC2)nc1Cl ZINC000095069359 184930760 /nfs/dbraw/zinc/93/07/60/184930760.db2.gz XDFGCFVWFNSGTM-UHFFFAOYSA-N 1 0 255.749 2.207 10 0 CEAERO Clc1ncc(CNC[C@@H]2CCCC[NH2+]2)c(Cl)n1 ZINC000095070198 184932254 /nfs/dbraw/zinc/93/22/54/184932254.db2.gz FWLIUCSYAQXEGN-VIFPVBQESA-N 1 0 275.183 2.015 10 0 CEAERO CN(Cc1cnc(Cl)nc1Cl)C[C@@H]1CCCC[NH2+]1 ZINC000095070870 184933030 /nfs/dbraw/zinc/93/30/30/184933030.db2.gz KFRRYNCONXUCSY-JTQLQIEISA-N 1 0 289.210 2.357 10 0 CEAERO CNc1nc2ccccc2nc1NC[C@H]1CCCC[NH2+]1 ZINC000095071388 184933147 /nfs/dbraw/zinc/93/31/47/184933147.db2.gz SLSPOEFAJJGDFV-LLVKDONJSA-N 1 0 271.368 2.226 10 0 CEAERO [NH3+][C@@H]1Cc2ccccc2[C@@H]1Nc1ncnc2c1CCCC2 ZINC000094873133 184885148 /nfs/dbraw/zinc/88/51/48/184885148.db2.gz PWXXOWIVARBYMK-ZBFHGGJFSA-N 1 0 280.375 2.392 10 0 CEAERO Cc1cscc1CNC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000094877444 184886714 /nfs/dbraw/zinc/88/67/14/184886714.db2.gz LKJFVNWYCNVWDH-NEPJUHHUSA-N 1 0 252.383 2.190 10 0 CEAERO CCN(C(=O)NC1CCCC1)C(CC)(CC)C[NH3+] ZINC000094890302 184888569 /nfs/dbraw/zinc/88/85/69/184888569.db2.gz UWJSCMVUCCSOCZ-UHFFFAOYSA-N 1 0 255.406 2.478 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)NCc1cc(C)c(F)c(C)c1 ZINC000094894653 184889092 /nfs/dbraw/zinc/88/90/92/184889092.db2.gz FGJCKNYSUXCMTO-GFCCVEGCSA-N 1 0 266.360 2.447 10 0 CEAERO CCNC(=O)[C@@H](C)[NH2+]Cc1cc(C)c(F)c(C)c1 ZINC000094894235 184889640 /nfs/dbraw/zinc/88/96/40/184889640.db2.gz YKKIMZWAOHBBCO-LLVKDONJSA-N 1 0 252.333 2.057 10 0 CEAERO CCN(Cc1ccccn1)[C@H](c1cccnc1)[C@@H](C)[NH3+] ZINC000094911054 184890980 /nfs/dbraw/zinc/89/09/80/184890980.db2.gz OEVCTJKGKBBYJX-CJNGLKHVSA-N 1 0 270.380 2.387 10 0 CEAERO CCN(Cc1cccc(C)n1)[C@@H](C[NH3+])c1cccnc1 ZINC000094910947 184891022 /nfs/dbraw/zinc/89/10/22/184891022.db2.gz UTBHATQCWVSSNF-INIZCTEOSA-N 1 0 270.380 2.307 10 0 CEAERO CC1(C(=O)NC[C@H]2CCCC[C@H]2C[NH3+])CCCC1 ZINC000094909397 184891512 /nfs/dbraw/zinc/89/15/12/184891512.db2.gz FGIIWOAYQQPTBT-QWHCGFSZSA-N 1 0 252.402 2.448 10 0 CEAERO CCNc1cc(C)ccc1C(=O)NCCC[NH+](C)C ZINC000094919976 184894202 /nfs/dbraw/zinc/89/42/02/184894202.db2.gz VANUKKYMOPYGJN-UHFFFAOYSA-N 1 0 263.385 2.108 10 0 CEAERO CNc1cc(C)ccc1C(=O)N(C)CCC[NH+](C)C ZINC000094929426 184896604 /nfs/dbraw/zinc/89/66/04/184896604.db2.gz QJVGMJNOZQCBDX-UHFFFAOYSA-N 1 0 263.385 2.060 10 0 CEAERO C[C@H](CCCO)NC(=O)CC[C@H](CC[NH3+])C(C)(C)C ZINC000094944212 184899420 /nfs/dbraw/zinc/89/94/20/184899420.db2.gz GZMCLLXYOYFOPX-CHWSQXEVSA-N 1 0 272.433 2.055 10 0 CEAERO C[C@@H]1CCc2ccccc2N1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000042165408 134886221 /nfs/dbraw/zinc/88/62/21/134886221.db2.gz IEGDRBCEDSFLAD-OCCSQVGLSA-N 1 0 258.365 2.496 10 0 CEAERO [NH3+][C@@H]1CCCN(c2cncc(OC3CCCC3)c2)C1 ZINC000070488395 134950639 /nfs/dbraw/zinc/95/06/39/134950639.db2.gz CWZVWDWWYQNOTO-GFCCVEGCSA-N 1 0 261.369 2.331 10 0 CEAERO Cc1ccc2c(c1)CCCN2c1cnc(C[NH3+])cn1 ZINC000071177751 134960603 /nfs/dbraw/zinc/96/06/03/134960603.db2.gz SITLKPRJUGFBFU-UHFFFAOYSA-N 1 0 254.337 2.328 10 0 CEAERO CCOc1ccc(OCC)c(N2CC[NH2+][C@@H](C)C2)c1 ZINC000086123638 135039258 /nfs/dbraw/zinc/03/92/58/135039258.db2.gz HLMJOQMZSRKCKF-LBPRGKRZSA-N 1 0 264.369 2.282 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C)CN1c1ccc(N2CCOCC2)cc1 ZINC000086175375 135039630 /nfs/dbraw/zinc/03/96/30/135039630.db2.gz NMAFWGVPIQSGNY-GJZGRUSLSA-N 1 0 289.423 2.100 10 0 CEAERO CC[C@@H]1C[NH2+]CCN1c1ccc(N2CCCC2)cc1 ZINC000086177811 135039745 /nfs/dbraw/zinc/03/97/45/135039745.db2.gz ZXBZYWDCOHSCRE-CQSZACIVSA-N 1 0 259.397 2.475 10 0 CEAERO CC(C)(C[NH3+])CCN1c2ccc(F)cc2CCC1=O ZINC000087590814 135050984 /nfs/dbraw/zinc/05/09/84/135050984.db2.gz YQRIUOVKFQETQC-UHFFFAOYSA-N 1 0 264.344 2.480 10 0 CEAERO CCOCOc1ccc(F)cc1N1CCC([NH3+])CC1 ZINC000087888994 135052091 /nfs/dbraw/zinc/05/20/91/135052091.db2.gz UEGGXFVHHNOMIV-UHFFFAOYSA-N 1 0 268.332 2.126 10 0 CEAERO CC[C@@H]1CCCN(c2nc(NN)[nH+]cc2Cl)C1 ZINC000087854441 135052120 /nfs/dbraw/zinc/05/21/20/135052120.db2.gz XWUZHYNPRRRRGB-MRVPVSSYSA-N 1 0 255.753 2.042 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1Nc1ccccc1N1CCOCC1 ZINC000089148980 135058338 /nfs/dbraw/zinc/05/83/38/135058338.db2.gz KMSIVKPYMNPSDO-UONOGXRCSA-N 1 0 275.396 2.063 10 0 CEAERO CC[NH2+][C@H]1COC[C@@H]1CN1CCCc2cc(C)ccc21 ZINC000090493519 135062911 /nfs/dbraw/zinc/06/29/11/135062911.db2.gz TZMCCIDJHWYUJG-HOTGVXAUSA-N 1 0 274.408 2.372 10 0 CEAERO CC(C)([NH3+])CSCC(=O)N1CCCc2ccccc21 ZINC000090358135 135063012 /nfs/dbraw/zinc/06/30/12/135063012.db2.gz DUIFJQPEUMWODJ-UHFFFAOYSA-N 1 0 278.421 2.436 10 0 CEAERO C[C@H](C[NH3+])SCC(=O)N1CCSc2ccccc21 ZINC000090342520 135063064 /nfs/dbraw/zinc/06/30/64/135063064.db2.gz KDUJTAXWGVLGFN-SNVBAGLBSA-N 1 0 282.434 2.206 10 0 CEAERO Cc1cccc(N2CCN([C@H]3C[NH2+]CC[C@@H]3C)CC2)c1 ZINC000090695436 135064181 /nfs/dbraw/zinc/06/41/81/135064181.db2.gz FATJMEXDKRIEKW-RDJZCZTQSA-N 1 0 273.424 2.115 10 0 CEAERO CCCOc1cc(N2CCC([C@H]3CCC[NH2+]3)CC2)ncn1 ZINC000090785188 135065074 /nfs/dbraw/zinc/06/50/74/135065074.db2.gz RYQUBNFDXJENHA-CQSZACIVSA-N 1 0 290.411 2.234 10 0 CEAERO CC(C)(C)[NH2+]Cc1cc(N2C[C@H]3CC[C@@H](C2)O3)ccn1 ZINC000090907707 135066747 /nfs/dbraw/zinc/06/67/47/135066747.db2.gz OKPIMRQAQWSFEI-GASCZTMLSA-N 1 0 275.396 2.337 10 0 CEAERO CC(C)[NH2+]Cc1cncc(N2C[C@@H](C)S[C@H](C)C2)n1 ZINC000091421867 135070020 /nfs/dbraw/zinc/07/00/20/135070020.db2.gz ULMLAGRMAABGRC-VXGBXAGGSA-N 1 0 280.441 2.305 10 0 CEAERO C[C@H]1CC[C@H](C)N(c2cncc(C[NH2+]C3CC3)n2)C1 ZINC000091422163 135070030 /nfs/dbraw/zinc/07/00/30/135070030.db2.gz AMOUTDPFWALTJN-RYUDHWBXSA-N 1 0 260.385 2.353 10 0 CEAERO C[C@@H]1Cc2ccccc2N(C[C@@H]2Cc3nc[nH]c3C[NH2+]2)C1 ZINC000092799444 135077698 /nfs/dbraw/zinc/07/76/98/135077698.db2.gz CTJAYLPWBKGVAN-OCCSQVGLSA-N 1 0 282.391 2.123 10 0 CEAERO C[NH2+]C[C@H](C)[C@H](C)N1CCN(c2ccccc2OC)CC1 ZINC000093068598 135078781 /nfs/dbraw/zinc/07/87/81/135078781.db2.gz NSXMVKVPKOQDGX-GJZGRUSLSA-N 1 0 291.439 2.061 10 0 CEAERO [NH3+]Cc1c(F)cccc1N1CCO[C@@H]2CCCC[C@@H]21 ZINC000093395392 135080417 /nfs/dbraw/zinc/08/04/17/135080417.db2.gz WOCFSEUYZSKKGU-LSDHHAIUSA-N 1 0 264.344 2.432 10 0 CEAERO Cc1nc(N2CC[C@@H]([NH+](C)C)C2)ccc1Br ZINC000230078157 394478167 /nfs/dbraw/zinc/47/81/67/394478167.db2.gz DNCUNBNBJHAWCB-SNVBAGLBSA-N 1 0 284.201 2.293 10 0 CEAERO CC(C)CC1(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)CCCC1 ZINC000232564601 394481345 /nfs/dbraw/zinc/48/13/45/394481345.db2.gz LUGNXBWGEWSBNK-QWHCGFSZSA-N 1 0 252.402 2.399 10 0 CEAERO CN(C)[C@H](C[NH3+])c1cc(F)cc(Br)c1 ZINC000306205307 394514667 /nfs/dbraw/zinc/51/46/67/394514667.db2.gz ONQZQGHEOWGRRZ-SNVBAGLBSA-N 1 0 261.138 2.150 10 0 CEAERO Cc1nc(N2CC[C@](C)(C[NH3+])C2)ccc1Br ZINC000235935050 394485445 /nfs/dbraw/zinc/48/54/45/394485445.db2.gz LIHGGRDAMZRDOY-GFCCVEGCSA-N 1 0 284.201 2.328 10 0 CEAERO CCC[N@@H+]1CCC[C@]2(C1)c1cc(Cl)cnc1NC2=O ZINC000033995419 394492595 /nfs/dbraw/zinc/49/25/95/394492595.db2.gz MAKZFDMSRISZQJ-AWEZNQCLSA-N 1 0 279.771 2.431 10 0 CEAERO CC(C)c1nc2c(n1C)CC[N@@H+]([C@@H]1CCCC[C@H]1O)C2 ZINC000245574917 394501988 /nfs/dbraw/zinc/50/19/88/394501988.db2.gz ARYMYSWRASESJH-HUUCEWRRSA-N 1 0 277.412 2.205 10 0 CEAERO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H]2CCCO)c(C)n1C ZINC000052761276 394558204 /nfs/dbraw/zinc/55/82/04/394558204.db2.gz WQAOTEFSNUWYMY-CQSZACIVSA-N 1 0 278.396 2.062 10 0 CEAERO C[C@H](O)CN1CC[N@@H+]([C@@H]2CCCc3ccccc32)C[C@H]1C ZINC000247545163 394532227 /nfs/dbraw/zinc/53/22/27/394532227.db2.gz DKVFBWRLWPERIN-RVKKMQEKSA-N 1 0 288.435 2.451 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2nc(C)c(C)s2)C1 ZINC000049210944 394543282 /nfs/dbraw/zinc/54/32/82/394543282.db2.gz BBUDEYYPRFPFGG-LLVKDONJSA-N 1 0 282.413 2.366 10 0 CEAERO C[C@@H]1CCC[C@@](CNc2cn[nH]c(=O)c2Cl)([NH+](C)C)C1 ZINC000108643662 394733020 /nfs/dbraw/zinc/73/30/20/394733020.db2.gz BCKCVXZBZWPYTO-QMTHXVAHSA-N 1 0 298.818 2.346 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1nc2ccccc2s1 ZINC000104225543 394719360 /nfs/dbraw/zinc/71/93/60/394719360.db2.gz QVVUARLMKKSICU-RKDXNWHRSA-N 1 0 261.350 2.090 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)Cc1ccc(Cl)s1 ZINC000104217789 394719566 /nfs/dbraw/zinc/71/95/66/394719566.db2.gz PBCKHAMNLCBCKP-PSASIEDQSA-N 1 0 272.801 2.215 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCC1=CCCC1 ZINC000152179151 394989599 /nfs/dbraw/zinc/98/95/99/394989599.db2.gz ZXZMAZXMZMNNLJ-DZGCQCFKSA-N 1 0 277.412 2.365 10 0 CEAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CCC(=O)OC(C)(C)C ZINC000134760512 394958727 /nfs/dbraw/zinc/95/87/27/394958727.db2.gz OVAZRVCOITZEIH-ZIAGYGMSSA-N 1 0 282.428 2.277 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)CCSc1ccccc1F ZINC000423660114 394962659 /nfs/dbraw/zinc/96/26/59/394962659.db2.gz FVRVEYHHOYRPJD-ZYHUDNBSSA-N 1 0 282.384 2.256 10 0 CEAERO C[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1C[C@H](O)C1CCCCC1 ZINC000158481218 395047061 /nfs/dbraw/zinc/04/70/61/395047061.db2.gz ZRTAAMDYBQRWKT-OIISXLGYSA-N 1 0 280.456 2.486 10 0 CEAERO Cc1cc(N2CCC([NH3+])CC2)ncc1Br ZINC000163950677 395085060 /nfs/dbraw/zinc/08/50/60/395085060.db2.gz ODKAVVXJTLHLDL-UHFFFAOYSA-N 1 0 270.174 2.080 10 0 CEAERO CCC(CC)NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000156421445 395032167 /nfs/dbraw/zinc/03/21/67/395032167.db2.gz LEMOMVKQECIOHT-WCQYABFASA-N 1 0 255.406 2.203 10 0 CEAERO Cc1cnc(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)s1 ZINC000177029340 395145308 /nfs/dbraw/zinc/14/53/08/395145308.db2.gz CDTGVDCZMCBCNL-ONGXEEELSA-N 1 0 282.413 2.302 10 0 CEAERO FC1(F)CCCC[C@@H]1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000381719050 395176459 /nfs/dbraw/zinc/17/64/59/395176459.db2.gz RHXFGIHSIBUOPW-CHWSQXEVSA-N 1 0 258.356 2.497 10 0 CEAERO C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCCN[C@H]1C ZINC000396563251 395216401 /nfs/dbraw/zinc/21/64/01/395216401.db2.gz IVQXBWZRNWTRJC-XUJVJEKNSA-N 1 0 250.361 2.487 10 0 CEAERO CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CCO[C@H](CN(C)C)C1 ZINC000186417088 395290453 /nfs/dbraw/zinc/29/04/53/395290453.db2.gz QRSGFNURBZLDDG-XHSDSOJGSA-N 1 0 266.429 2.241 10 0 CEAERO C[C@@H](C[NH2+][C@@H]1CCCNc2ccccc21)N1CCOCC1 ZINC000192634682 395388831 /nfs/dbraw/zinc/38/88/31/395388831.db2.gz VSUKXFGEEVBEQU-WMLDXEAASA-N 1 0 289.423 2.244 10 0 CEAERO CCCCOC[C@@H](O)C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000195181802 395461315 /nfs/dbraw/zinc/46/13/15/395461315.db2.gz NOXQWOLECXDYQY-ZNMIVQPWSA-N 1 0 255.402 2.286 10 0 CEAERO CCCCOC[C@H](O)C[N@H+](C)Cc1ccc(O)c(OC)c1 ZINC000195175736 395461342 /nfs/dbraw/zinc/46/13/42/395461342.db2.gz MGKMBIGLCHTUJS-CQSZACIVSA-N 1 0 297.395 2.010 10 0 CEAERO CCCCOC[C@H](O)C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000195219617 395462070 /nfs/dbraw/zinc/46/20/70/395462070.db2.gz PNFSZKNHCYQUJR-OLZOCXBDSA-N 1 0 273.417 2.100 10 0 CEAERO C[C@@H]1C[C@H]1c1ccc(CNC[C@H](O)C[NH+]2CCCCC2)o1 ZINC000195422343 395466479 /nfs/dbraw/zinc/46/64/79/395466479.db2.gz JHSKMEOJHSOGBN-IJEWVQPXSA-N 1 0 292.423 2.339 10 0 CEAERO Cc1cc(F)c(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)cc1F ZINC000193482753 395409565 /nfs/dbraw/zinc/40/95/65/395409565.db2.gz QXLQPCDQDVFMFP-RNCFNFMXSA-N 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CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC1(SC)CC1 ZINC000195152285 153276635 /nfs/dbraw/zinc/27/66/35/153276635.db2.gz DGMOHLMJLMZAHX-CHWSQXEVSA-N 1 0 297.468 2.150 10 0 CEAERO O=C(c1cccc2ncccc21)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195325946 153281510 /nfs/dbraw/zinc/28/15/10/153281510.db2.gz KNDVYYITAKWWBS-CYBMUJFWSA-N 1 0 281.359 2.155 10 0 CEAERO O=C(Cc1ccccc1Cl)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195310393 153282588 /nfs/dbraw/zinc/28/25/88/153282588.db2.gz HCAIRMHCJADTNS-ZDUSSCGKSA-N 1 0 278.783 2.189 10 0 CEAERO CCc1ccsc1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195337345 153286076 /nfs/dbraw/zinc/28/60/76/153286076.db2.gz HYMJMVJXOKYSPZ-LBPRGKRZSA-N 1 0 264.394 2.231 10 0 CEAERO CCOCC[NH+]1CCC(c2cnn(CC)c2)CC1 ZINC000195513066 153292270 /nfs/dbraw/zinc/29/22/70/153292270.db2.gz CTNPUAIDPXODLI-UHFFFAOYSA-N 1 0 251.374 2.119 10 0 CEAERO Cc1c(Cl)cccc1C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000219882385 153305066 /nfs/dbraw/zinc/30/50/66/153305066.db2.gz LLWVIDZJKOPOBT-PRHODGIISA-N 1 0 252.745 2.068 10 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CEAERO CCCN(c1cncc(Br)c1)[C@H]1CC[NH2+]C1 ZINC000261582020 153772225 /nfs/dbraw/zinc/77/22/25/153772225.db2.gz NYMLAZAEJQLXHH-NSHDSACASA-N 1 0 284.201 2.422 10 0 CEAERO Cc1cccc(C)c1OCC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000261655043 153800926 /nfs/dbraw/zinc/80/09/26/153800926.db2.gz BSOYWBHRAXUBEX-IUODEOHRSA-N 1 0 290.407 2.268 10 0 CEAERO CO[C@@H](CNC(=O)CC[C@@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000261734088 153823486 /nfs/dbraw/zinc/82/34/86/153823486.db2.gz GAYDBRMONVPLCF-DOMZBBRYSA-N 1 0 294.370 2.019 10 0 CEAERO [NH3+][C@@H]1CC[C@H]2CN(Cc3ncc(C(F)(F)F)s3)C[C@@H]12 ZINC000261947711 153884514 /nfs/dbraw/zinc/88/45/14/153884514.db2.gz NMVLKQVGSWBFOJ-DJLDLDEBSA-N 1 0 291.342 2.331 10 0 CEAERO C[C@H]1CN(Cc2nc3ccc(F)cc3s2)C[C@H]1[NH3+] ZINC000261997211 153890599 /nfs/dbraw/zinc/89/05/99/153890599.db2.gz KXZZZQKZOJFRTN-WCBMZHEXSA-N 1 0 265.357 2.214 10 0 CEAERO C[C@@H](Oc1ccccc1)C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262156949 153922301 /nfs/dbraw/zinc/92/23/01/153922301.db2.gz XTBBXAAGJUNNMK-OCCSQVGLSA-N 1 0 276.380 2.040 10 0 CEAERO Cc1csc(C2(NC(=O)[C@@H](C)C3C[NH2+]C3)CCCC2)n1 ZINC000262330396 153940671 /nfs/dbraw/zinc/94/06/71/153940671.db2.gz GOXIPDNQGXMOBO-NSHDSACASA-N 1 0 293.436 2.193 10 0 CEAERO C[C@H](C(=O)Nc1ccccc1OCC1CC1)C1C[NH2+]C1 ZINC000262584504 153962576 /nfs/dbraw/zinc/96/25/76/153962576.db2.gz VCKJYOKXPSVASE-NSHDSACASA-N 1 0 274.364 2.269 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+])c1ccccn1 ZINC000263076554 154015739 /nfs/dbraw/zinc/01/57/39/154015739.db2.gz XCWMCWZAOPKVTA-SLEUVZQESA-N 1 0 261.369 2.166 10 0 CEAERO Cc1c2ccccc2oc1-c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263208271 154034041 /nfs/dbraw/zinc/03/40/41/154034041.db2.gz JYOYVGWOLSQOHP-GFCCVEGCSA-N 1 0 298.346 2.367 10 0 CEAERO CN1CC[NH2+]C[C@H]1c1noc(-c2ccc(Cl)cc2F)n1 ZINC000263219415 154037385 /nfs/dbraw/zinc/03/73/85/154037385.db2.gz LPEITXZTGILANQ-NSHDSACASA-N 1 0 296.733 2.105 10 0 CEAERO Cc1ccccc1[C@@H]1C[C@@H]1c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263221718 154037414 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ZINC000302192340 154188048 /nfs/dbraw/zinc/18/80/48/154188048.db2.gz MFCQFYDZZJPAKT-AWEZNQCLSA-N 1 0 291.443 2.465 10 0 CEAERO O=C([C@@H]1C[C@@]12CCc1ccccc12)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246726471 304393155 /nfs/dbraw/zinc/39/31/55/304393155.db2.gz MMIYZGMMDMFVOH-VDZJLULYSA-N 1 0 296.414 2.197 10 0 CEAERO CCO[C@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1(C)C ZINC000261668217 286515216 /nfs/dbraw/zinc/51/52/16/286515216.db2.gz FSKVFNKTLMFKIV-MQYQWHSLSA-N 1 0 282.428 2.023 10 0 CEAERO CCO[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1(CC)CC ZINC000261724693 286533707 /nfs/dbraw/zinc/53/37/07/286533707.db2.gz KJBAGDDRDZNJMQ-KBXIAJHMSA-N 1 0 296.455 2.461 10 0 CEAERO CCN(C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)C(C)C ZINC000131816649 162298617 /nfs/dbraw/zinc/29/86/17/162298617.db2.gz VXTQMFLDVCVPHO-QWHCGFSZSA-N 1 0 255.406 2.155 10 0 CEAERO Brc1cnccc1N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000159924381 162318772 /nfs/dbraw/zinc/31/87/72/162318772.db2.gz GDRUUQQKKZKFIY-ZJUUUORDSA-N 1 0 282.185 2.175 10 0 CEAERO C[C@H](C(=O)NCc1cccc2ccccc21)C1C[NH2+]C1 ZINC000164497164 162333690 /nfs/dbraw/zinc/33/36/90/162333690.db2.gz MZOURTVAHYDPER-LBPRGKRZSA-N 1 0 268.360 2.312 10 0 CEAERO C[C@@H](C(=O)NCc1ccc(C(F)(F)F)cc1)C1C[NH2+]C1 ZINC000164515227 162334680 /nfs/dbraw/zinc/33/46/80/162334680.db2.gz BLWDVWQGWJLXPN-SECBINFHSA-N 1 0 286.297 2.177 10 0 CEAERO CC[C@@H](NC(=O)[C@@H](C)C1C[NH2+]C1)c1cccs1 ZINC000164453464 162334741 /nfs/dbraw/zinc/33/47/41/162334741.db2.gz VYDFRBTYBCIZAQ-GXSJLCMTSA-N 1 0 252.383 2.171 10 0 CEAERO C[C@H](C(=O)NC(C)(C)CCc1ccccc1)C1C[NH2+]C1 ZINC000164775756 162338337 /nfs/dbraw/zinc/33/83/37/162338337.db2.gz FHQKKHKTCDATOG-ZDUSSCGKSA-N 1 0 274.408 2.370 10 0 CEAERO COc1ccc(Cl)cc1C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000166703659 162351313 /nfs/dbraw/zinc/35/13/13/162351313.db2.gz OPOWREOIBPLWMK-LLVKDONJSA-N 1 0 282.771 2.221 10 0 CEAERO CCC([NH3+])(CC)CNc1ncncc1Br ZINC000168513185 162365949 /nfs/dbraw/zinc/36/59/49/162365949.db2.gz GOIDEOVUILMPRB-UHFFFAOYSA-N 1 0 273.178 2.169 10 0 CEAERO COC(=O)c1coc(C[NH+]2CCC(c3cc[nH]n3)CC2)c1 ZINC000171037550 162377029 /nfs/dbraw/zinc/37/70/29/162377029.db2.gz KRISBWCFKXHLAJ-UHFFFAOYSA-N 1 0 289.335 2.169 10 0 CEAERO CC[C@@H]1C[N@H+](C[C@@H]2CC=CCC2)CCN1C[C@@H](C)O ZINC000245806842 162452636 /nfs/dbraw/zinc/45/26/36/162452636.db2.gz YPWJXLMPACYTMZ-BZUAXINKSA-N 1 0 266.429 2.120 10 0 CEAERO CCC([NH3+])(CC)CNc1ccc(S(C)(=O)=O)cc1F ZINC000261602044 162547977 /nfs/dbraw/zinc/54/79/77/162547977.db2.gz QGYXLVQTGWTLIG-UHFFFAOYSA-N 1 0 288.388 2.159 10 0 CEAERO C[C@@H]([NH2+][C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1)[C@H]1CCCO1 ZINC000248852461 287045682 /nfs/dbraw/zinc/04/56/82/287045682.db2.gz HQDRZBDKGISHRK-QKGCVVFFSA-N 1 0 282.428 2.037 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCSC1)c1ccc(S(C)(=O)=O)cc1 ZINC000219241220 287061083 /nfs/dbraw/zinc/06/10/83/287061083.db2.gz HJTKKSLWKPQDJG-ZYHUDNBSSA-N 1 0 285.434 2.246 10 0 CEAERO CSCCC[NH+]1CCC(Nc2cccnn2)CC1 ZINC000173672018 165078355 /nfs/dbraw/zinc/07/83/55/165078355.db2.gz IZSBZHRQZVWXRL-UHFFFAOYSA-N 1 0 266.414 2.106 10 0 CEAERO C[C@@H](c1ncc(C(C)(C)C)o1)N1CCO[C@H](C[NH+](C)C)C1 ZINC000175205220 165129809 /nfs/dbraw/zinc/12/98/09/165129809.db2.gz BHXUUDYOCMRESD-QWHCGFSZSA-N 1 0 295.427 2.296 10 0 CEAERO CCC(CC)NC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000177312998 165193279 /nfs/dbraw/zinc/19/32/79/165193279.db2.gz RQAXZSRPEHQMSX-ZDUSSCGKSA-N 1 0 255.406 2.301 10 0 CEAERO CCN1CCN(CC2CC[NH2+]CC2)c2ccccc21 ZINC000178981177 165267586 /nfs/dbraw/zinc/26/75/86/165267586.db2.gz SKRVYBSVKJZOLS-UHFFFAOYSA-N 1 0 259.397 2.333 10 0 CEAERO CCc1nnc(CN2CCCC[C@@H](SC)C2)n1C ZINC000179116875 165271736 /nfs/dbraw/zinc/27/17/36/165271736.db2.gz QDMLCNYVEIBOJB-LLVKDONJSA-N 1 0 268.430 2.095 10 0 CEAERO CC(C)n1nnnc1C[N@@H+]1C[C@@H](C)[C@H]2CCCC[C@@H]21 ZINC000182494013 165371449 /nfs/dbraw/zinc/37/14/49/165371449.db2.gz PFEXDZZEGKIAMW-UPJWGTAASA-N 1 0 263.389 2.265 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CC[C@@H](C)O2)C1 ZINC000247455306 165487965 /nfs/dbraw/zinc/48/79/65/165487965.db2.gz TWDAHKXDADRBSC-KBUPBQIOSA-N 1 0 282.428 2.179 10 0 CEAERO O=C(C[C@@H](CO)[NH2+]C1CCCCC1)NC1CCCCC1 ZINC000003048043 169850880 /nfs/dbraw/zinc/85/08/80/169850880.db2.gz PNJGLSIGVBKVRL-HNNXBMFYSA-N 1 0 282.428 2.109 10 0 CEAERO O=C1CCC(c2ccc(Nc3cc[nH+]cc3)cc2)=NN1 ZINC000005161845 170072561 /nfs/dbraw/zinc/07/25/61/170072561.db2.gz XEBRQQXYWHMEQW-UHFFFAOYSA-N 1 0 266.304 2.439 10 0 in-man CEAERO COC(=O)C(C[NH3+])(c1ccccc1)c1ccccc1 ZINC000005354123 170088905 /nfs/dbraw/zinc/08/89/05/170088905.db2.gz WMORSACVHKFRPI-UHFFFAOYSA-N 1 0 255.317 2.104 10 0 CEAERO CC(C)c1ccc(S(=O)(=O)C[C@H]2CCC[NH2+]2)cc1 ZINC000011967225 170463522 /nfs/dbraw/zinc/46/35/22/170463522.db2.gz QCXUMYOXYJHYGD-CYBMUJFWSA-N 1 0 267.394 2.336 10 0 CEAERO COc1ccc([C@@H]([NH3+])CN2CCCCCC2=O)cc1OC ZINC000019399111 170784252 /nfs/dbraw/zinc/78/42/52/170784252.db2.gz ALWIYZZTEXYDCP-ZDUSSCGKSA-N 1 0 292.379 2.106 10 0 CEAERO COc1cc(NC(=O)[C@H]2CC[C@H](C)[NH2+]C2)cc(OC)c1 ZINC000019470942 170804738 /nfs/dbraw/zinc/80/47/38/170804738.db2.gz GNPUELIYKZSJCS-QWRGUYRKSA-N 1 0 278.352 2.030 10 0 CEAERO O=C(Cc1ccc(F)cc1)NCC[C@@H]1CCCC[NH2+]1 ZINC000019503786 170816118 /nfs/dbraw/zinc/81/61/18/170816118.db2.gz XMZSHRQNVOPDEI-AWEZNQCLSA-N 1 0 264.344 2.017 10 0 CEAERO Cc1cc(N2C[C@H](C[NH3+])CC2=O)ccc1Br ZINC000019669626 170834961 /nfs/dbraw/zinc/83/49/61/170834961.db2.gz ZGBWERRHEXXWCN-VIFPVBQESA-N 1 0 283.169 2.069 10 0 CEAERO [NH3+]CCCc1nnc(Cc2ccc(Br)cc2)o1 ZINC000019733082 170847069 /nfs/dbraw/zinc/84/70/69/170847069.db2.gz UTVDRVGYSSGEFH-UHFFFAOYSA-N 1 0 296.168 2.314 10 0 CEAERO CN(C)C[C@H]([NH2+]Cc1ccncc1)c1ccccc1 ZINC000020129287 171017551 /nfs/dbraw/zinc/01/75/51/171017551.db2.gz LJKVBNITQXWTSM-INIZCTEOSA-N 1 0 255.365 2.474 10 0 CEAERO C[C@@H]([NH3+])c1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000020187774 171052661 /nfs/dbraw/zinc/05/26/61/171052661.db2.gz UDLNWVOSOOYWPR-LLVKDONJSA-N 1 0 282.409 2.317 10 0 CEAERO COc1cccc([C@@H](C[NH3+])N(C)CC2CC2)c1OC ZINC000020226680 171091598 /nfs/dbraw/zinc/09/15/98/171091598.db2.gz DQCZCVDHZJKPRD-CYBMUJFWSA-N 1 0 264.369 2.045 10 0 CEAERO [NH3+]C[C@@]1(N2CCSCC2)CCCc2ccccc21 ZINC000020257100 171111694 /nfs/dbraw/zinc/11/16/94/171111694.db2.gz WZZBMODWKBWGPS-HNNXBMFYSA-N 1 0 262.422 2.226 10 0 CEAERO [NH3+]C[C@@H](c1ccc(Cl)cc1)N1CCSCC1 ZINC000020257082 171111792 /nfs/dbraw/zinc/11/17/92/171111792.db2.gz VNXJHTICRGIKSW-LBPRGKRZSA-N 1 0 256.802 2.389 10 0 CEAERO CCC(C)(C)NC(=O)[C@@H](C)NCC[NH+](C(C)C)C(C)C ZINC000020365923 171164968 /nfs/dbraw/zinc/16/49/68/171164968.db2.gz AJFPKIKFWQTFLD-CQSZACIVSA-N 1 0 285.476 2.388 10 0 CEAERO COc1ccc(OCc2nc(CC[NH3+])cs2)cc1 ZINC000020399102 171181889 /nfs/dbraw/zinc/18/18/89/171181889.db2.gz XUYIVLKRORFVTM-UHFFFAOYSA-N 1 0 264.350 2.232 10 0 CEAERO C[C@@H]([NH3+])c1ccc(O[C@@H](C)C(=O)N2CCCC2)cc1 ZINC000020419316 171184050 /nfs/dbraw/zinc/18/40/50/171184050.db2.gz ODTJCCUITAXUTM-NEPJUHHUSA-N 1 0 262.353 2.096 10 0 CEAERO CCN(CC)C(=O)COc1c(C)cc(C[NH3+])cc1C ZINC000020470797 171213304 /nfs/dbraw/zinc/21/33/04/171213304.db2.gz LGBIJYRRIZTDML-UHFFFAOYSA-N 1 0 264.369 2.009 10 0 CEAERO O=C(Nc1cccc(Cl)c1F)C1CC[NH2+]CC1 ZINC000020472627 171215567 /nfs/dbraw/zinc/21/55/67/171215567.db2.gz WPJMOXUJFGJAJG-UHFFFAOYSA-N 1 0 256.708 2.417 10 0 CEAERO [NH3+][C@H](Cc1ccccc1)C(=O)Nc1c(F)cccc1F ZINC000020476425 171220879 /nfs/dbraw/zinc/22/08/79/171220879.db2.gz MQCXGDFQIMUXFH-CYBMUJFWSA-N 1 0 276.286 2.473 10 0 CEAERO C[C@@H]1CCC[C@@H](C(=O)Nc2c(F)cccc2F)[NH2+]1 ZINC000020476458 171221223 /nfs/dbraw/zinc/22/12/23/171221223.db2.gz DMIUAXBLJKIJDK-KCJUWKMLSA-N 1 0 254.280 2.434 10 0 CEAERO C[C@H](OC(C)(C)C)C(=O)Nc1ccccc1C[NH3+] ZINC000020508666 171229552 /nfs/dbraw/zinc/22/95/52/171229552.db2.gz DPIBMODJLQAYIP-JTQLQIEISA-N 1 0 250.342 2.287 10 0 CEAERO CCCC1N=NC(=S)N1C[C@@H]1CCC[N@@H+]1CC ZINC000020590100 171260939 /nfs/dbraw/zinc/26/09/39/171260939.db2.gz UFAYNMWQOYFFSC-JTQLQIEISA-N 1 0 254.403 2.004 10 0 CEAERO C[C@@H]([NH3+])c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 ZINC000021516889 171313249 /nfs/dbraw/zinc/31/32/49/171313249.db2.gz YQNZLJMBNMRCAM-VXGBXAGGSA-N 1 0 282.409 2.127 10 0 CEAERO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c(N)c1 ZINC000022152828 171360306 /nfs/dbraw/zinc/36/03/06/171360306.db2.gz XWVGRRUUEUBNQL-NEPJUHHUSA-N 1 0 291.395 2.336 10 0 CEAERO COc1ccc(NC(=O)CC[NH+]2CCCCCC2)c(N)c1 ZINC000022154567 171361210 /nfs/dbraw/zinc/36/12/10/171361210.db2.gz HYGSOFAIEKKNGM-UHFFFAOYSA-N 1 0 291.395 2.482 10 0 CEAERO CC[NH+](CC)CCC(=O)Nc1ccc(F)cc1N ZINC000022155346 171361798 /nfs/dbraw/zinc/36/17/98/171361798.db2.gz LEASNNOIDXMTJT-UHFFFAOYSA-N 1 0 253.321 2.078 10 0 CEAERO [NH3+]Cc1cccc(NC(=O)Cc2ccc(F)cc2)c1 ZINC000022165166 171365331 /nfs/dbraw/zinc/36/53/31/171365331.db2.gz SLLVYWMZXKRZGI-UHFFFAOYSA-N 1 0 258.296 2.466 10 0 CEAERO C[C@H](C(=O)Nc1ccc(N)c(C(F)(F)F)c1)[NH+](C)C ZINC000022167664 171366566 /nfs/dbraw/zinc/36/65/66/171366566.db2.gz KCMWCMZNRRHYLG-SSDOTTSWSA-N 1 0 275.274 2.176 10 0 CEAERO CC(C)[N@H+](C)[C@H](C)C(=O)Nc1ccc(F)cc1N ZINC000022168935 171367201 /nfs/dbraw/zinc/36/72/01/171367201.db2.gz DWKUNKRHOPMIHB-SECBINFHSA-N 1 0 253.321 2.075 10 0 CEAERO Cc1ccc(NS(=O)(=O)c2ccc(C[NH3+])cc2)cc1F ZINC000022174785 171369911 /nfs/dbraw/zinc/36/99/11/171369911.db2.gz MOPXUAIFISPHRG-UHFFFAOYSA-N 1 0 294.351 2.394 10 0 CEAERO C[C@@H](NS(=O)(=O)c1ccccc1C[NH3+])c1ccccc1 ZINC000022212397 171374050 /nfs/dbraw/zinc/37/40/50/171374050.db2.gz MUAJMRPQIMFYNI-GFCCVEGCSA-N 1 0 290.388 2.185 10 0 CEAERO C[C@@H](C(=O)Nc1ccc(F)c(N)c1)[NH+]1CCCCC1 ZINC000022222401 171378958 /nfs/dbraw/zinc/37/89/58/171378958.db2.gz NKYDUIPMSISUBC-JTQLQIEISA-N 1 0 265.332 2.221 10 0 CEAERO CC(C)[NH2+]C[C@@H](O)COc1cccc2c1CCCC2 ZINC000032113135 171706621 /nfs/dbraw/zinc/70/66/21/171706621.db2.gz OYEQBBHUWXIZJC-CQSZACIVSA-N 1 0 263.381 2.303 10 0 CEAERO COc1ccc(C)cc1C[NH2+][C@H]1CN2CCC1CC2 ZINC000035165286 172027105 /nfs/dbraw/zinc/02/71/05/172027105.db2.gz VSZNXHSFADHVIM-HNNXBMFYSA-N 1 0 260.381 2.187 10 0 CEAERO [NH3+][C@@H](Cc1ncc[nH]1)c1ccc(Br)s1 ZINC000035382280 172164654 /nfs/dbraw/zinc/16/46/54/172164654.db2.gz ZZSWEVDBCBXFRX-LURJTMIESA-N 1 0 272.171 2.476 10 0 CEAERO Cc1ccc([C@@H]([NH3+])c2ccc3c(c2)NC(=O)CO3)s1 ZINC000035382339 172165077 /nfs/dbraw/zinc/16/50/77/172165077.db2.gz KXHAHKVDLSRZQI-AWEZNQCLSA-N 1 0 274.345 2.436 10 0 CEAERO C[NH2+][C@H](c1cnn(C)c1)c1ccc(Br)cc1 ZINC000035500323 172234235 /nfs/dbraw/zinc/23/42/35/172234235.db2.gz UAILBYUYTNWEHF-LBPRGKRZSA-N 1 0 280.169 2.491 10 0 CEAERO C[C@H](O)c1ccc(N2CCC[N@H+](C)CC2)c(F)c1 ZINC000035631490 172313548 /nfs/dbraw/zinc/31/35/48/172313548.db2.gz TTYUZJCCSXXIKR-NSHDSACASA-N 1 0 252.333 2.021 10 0 CEAERO CCCCNS(=O)(=O)c1ccc([C@H](C)[NH2+]C)cc1 ZINC000035633208 172316694 /nfs/dbraw/zinc/31/66/94/172316694.db2.gz MVWFEMIKGGHLNC-NSHDSACASA-N 1 0 270.398 2.045 10 0 CEAERO C[C@@H](NC(=O)c1ccc(C[NH3+])cc1)c1ccncc1 ZINC000035692913 172361591 /nfs/dbraw/zinc/36/15/91/172361591.db2.gz GGUNMBWOLXMBDN-LLVKDONJSA-N 1 0 255.321 2.031 10 0 CEAERO C[C@@H](NC(=O)c1cccc(C[NH3+])c1)c1ccccn1 ZINC000035694387 172362751 /nfs/dbraw/zinc/36/27/51/172362751.db2.gz YAEMIFXOKUFTCM-LLVKDONJSA-N 1 0 255.321 2.031 10 0 CEAERO [NH3+]Cc1cccc(OCCSc2ncccn2)c1 ZINC000035722197 172377646 /nfs/dbraw/zinc/37/76/46/172377646.db2.gz VCTXJRGRZCOCQY-UHFFFAOYSA-N 1 0 261.350 2.106 10 0 CEAERO CCC[C@@H]1CC[C@H](C[NH3+])[C@H](Sc2nc[nH]n2)C1 ZINC000035722895 172377985 /nfs/dbraw/zinc/37/79/85/172377985.db2.gz PCSOISBYLSVWIP-GMTAPVOTSA-N 1 0 254.403 2.441 10 0 CEAERO [NH3+]CCCCSc1nnc(C2CC2)n1C1CC1 ZINC000035723197 172378524 /nfs/dbraw/zinc/37/85/24/172378524.db2.gz CBGVYRMQVWKVER-UHFFFAOYSA-N 1 0 252.387 2.321 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1Sc1nnnn1C1CCCC1 ZINC000035724031 172379176 /nfs/dbraw/zinc/37/91/76/172379176.db2.gz PJPRFOPPQMUXOL-KOLCDFICSA-N 1 0 267.402 2.008 10 0 CEAERO CCOC(=O)NC[C@H](c1ccc(OC)cc1)[NH+](C)C ZINC000036078683 172433419 /nfs/dbraw/zinc/43/34/19/172433419.db2.gz GJLOCWYKMGWMRJ-CYBMUJFWSA-N 1 0 266.341 2.044 10 0 CEAERO C[NH+](C)CCCCNc1ncc(Br)cc1N ZINC000036226325 172523781 /nfs/dbraw/zinc/52/37/81/172523781.db2.gz CNINVBIIKLANHT-UHFFFAOYSA-N 1 0 287.205 2.180 10 0 CEAERO C[C@H](C1CC1)N(C)c1nc2sccn2c1C[NH3+] ZINC000036786017 172703006 /nfs/dbraw/zinc/70/30/06/172703006.db2.gz VFLBZENWDXTTAT-MRVPVSSYSA-N 1 0 250.371 2.089 10 0 CEAERO CC(C)n1cc(Cl)cc1C(=O)N1CCC([NH3+])CC1 ZINC000036857389 172756003 /nfs/dbraw/zinc/75/60/03/172756003.db2.gz IBVVVFBCUUYUTC-UHFFFAOYSA-N 1 0 269.776 2.286 10 0 CEAERO CC(C)C[C@H]([NH2+]C[C@@H]1CC=CCC1)C(=O)N(C)C ZINC000036923613 172806729 /nfs/dbraw/zinc/80/67/29/172806729.db2.gz IXJNZUITRSYURD-KGLIPLIRSA-N 1 0 252.402 2.435 10 0 CEAERO CC[NH2+]C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000036951254 172825000 /nfs/dbraw/zinc/82/50/00/172825000.db2.gz PQLHWXVPFXGAEM-JTQLQIEISA-N 1 0 263.259 2.055 10 0 CEAERO Cc1sc2nc(CSCC[NH3+])nc(N)c2c1C ZINC000037035629 172903742 /nfs/dbraw/zinc/90/37/42/172903742.db2.gz KCPKNIGKHMGNOM-UHFFFAOYSA-N 1 0 268.411 2.082 10 0 CEAERO CCCCC[NH2+][C@H]1CCCc2c1cnn2CCO ZINC000037169124 173003673 /nfs/dbraw/zinc/00/36/73/173003673.db2.gz DQOBLPOAYVGYFL-ZDUSSCGKSA-N 1 0 251.374 2.033 10 0 CEAERO CC[C@H](C)CN(C)C(=O)COc1ccc(C[NH3+])cc1 ZINC000037172357 173005376 /nfs/dbraw/zinc/00/53/76/173005376.db2.gz IFSBPSSJRBRWOO-LBPRGKRZSA-N 1 0 264.369 2.029 10 0 CEAERO CC[NH2+][C@H](C)c1ccccc1OCC(=O)N(C)CC ZINC000037223113 173044116 /nfs/dbraw/zinc/04/41/16/173044116.db2.gz FGCLJMWVXJKMEY-GFCCVEGCSA-N 1 0 264.369 2.214 10 0 CEAERO CO[C@@H]1CCCC[C@@H]1[NH2+]CCCOC[C@@H]1CCCO1 ZINC000037233935 173053606 /nfs/dbraw/zinc/05/36/06/173053606.db2.gz FECLLNNNTSGNAG-SOUVJXGZSA-N 1 0 271.401 2.119 10 0 CEAERO COC1CCN(C[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000037266490 173076615 /nfs/dbraw/zinc/07/66/15/173076615.db2.gz RWDBMAWOASZXLZ-IPYPFGDCSA-N 1 0 252.402 2.018 10 0 CEAERO [NH3+][C@H](c1cnn(-c2ccccc2)c1)c1cccnc1 ZINC000037308917 173112026 /nfs/dbraw/zinc/11/20/26/173112026.db2.gz FRXQWQKSFKRYAG-HNNXBMFYSA-N 1 0 250.305 2.315 10 0 CEAERO Cc1ncsc1[C@H](C)[NH2+][C@@H](C)Cn1cccn1 ZINC000037320051 173119707 /nfs/dbraw/zinc/11/97/07/173119707.db2.gz WVEAFRLQYJVVIZ-ONGXEEELSA-N 1 0 250.371 2.387 10 0 CEAERO CNC(=O)[C@@H](CC(C)C)[NH2+][C@@H](C)c1scnc1C ZINC000037320862 173121303 /nfs/dbraw/zinc/12/13/03/173121303.db2.gz QJBVOGRJJLRRKO-WDEREUQCSA-N 1 0 269.414 2.263 10 0 CEAERO C[N@H+](CC(=O)c1ccc2c(c1)OCO2)C1CCCC1 ZINC000037334654 173135295 /nfs/dbraw/zinc/13/52/95/173135295.db2.gz NTBPGAXXVNHCOO-UHFFFAOYSA-N 1 0 261.321 2.472 10 0 CEAERO CC[C@@H]([NH2+]C)c1ccc(OCCS(=O)(=O)CC)cc1 ZINC000037370297 173159213 /nfs/dbraw/zinc/15/92/13/173159213.db2.gz OVUQTWBXCSTNBX-CQSZACIVSA-N 1 0 285.409 2.171 10 0 CEAERO O[C@H](C[NH2+]C1CC1)COc1ccc(C(F)(F)F)cc1 ZINC000037372659 173161978 /nfs/dbraw/zinc/16/19/78/173161978.db2.gz LQJUKDACVSJUIS-LLVKDONJSA-N 1 0 275.270 2.197 10 0 CEAERO COC(C[NH2+]Cc1ccccc1C(F)(F)F)OC ZINC000037388231 173171382 /nfs/dbraw/zinc/17/13/82/173171382.db2.gz MPBHZOOXOWBSOW-UHFFFAOYSA-N 1 0 263.259 2.414 10 0 CEAERO CCCCOC(=O)CNCC[NH+](C(C)C)C(C)C ZINC000037394233 173174579 /nfs/dbraw/zinc/17/45/79/173174579.db2.gz MZXDLJNGEOOGGW-UHFFFAOYSA-N 1 0 258.406 2.038 10 0 CEAERO CC[NH+]1CCN(Cc2c(N)cccc2Br)CC1 ZINC000037401802 173178096 /nfs/dbraw/zinc/17/80/96/173178096.db2.gz VGHOQIXCODKNAQ-UHFFFAOYSA-N 1 0 298.228 2.169 10 0 CEAERO Cc1cc(Cl)c(C(C)C)cc1OC[C@H](O)C[NH3+] ZINC000037429115 173199937 /nfs/dbraw/zinc/19/99/37/173199937.db2.gz RHNHBMLTBXSLFZ-SNVBAGLBSA-N 1 0 257.761 2.470 10 0 CEAERO CN(CCC[NH2+][C@H]1CCCC[C@@H]1O)c1ccccc1 ZINC000037490946 173232648 /nfs/dbraw/zinc/23/26/48/173232648.db2.gz NFCXAZCIADCOIY-HOTGVXAUSA-N 1 0 262.397 2.406 10 0 CEAERO CCN(C(=O)c1sccc1C)C1CC[NH2+]CC1 ZINC000037537457 173256872 /nfs/dbraw/zinc/25/68/72/173256872.db2.gz PAHXNYPYMCLMGL-UHFFFAOYSA-N 1 0 252.383 2.271 10 0 CEAERO CCCNC(=O)COc1ccc(Cl)cc1C[C@@H](C)[NH3+] ZINC000037725688 173643821 /nfs/dbraw/zinc/64/38/21/173643821.db2.gz AVEWTWFRQQICRB-SNVBAGLBSA-N 1 0 284.787 2.135 10 0 CEAERO CCOc1cc(C[C@H](C)[NH3+])ccc1OCCOC ZINC000037726159 173644345 /nfs/dbraw/zinc/64/43/45/173644345.db2.gz GDGIRNVEOLKQLZ-NSHDSACASA-N 1 0 253.342 2.000 10 0 CEAERO C[NH2+]CCCC(=O)N[C@H](C)Cc1c(F)cccc1F ZINC000037766745 173695668 /nfs/dbraw/zinc/69/56/68/173695668.db2.gz YECHBKUKHOHXGJ-SNVBAGLBSA-N 1 0 270.323 2.012 10 0 CEAERO COC(=O)c1ccccc1CNC[C@H](C)[NH+]1CCCCC1 ZINC000038028970 174018324 /nfs/dbraw/zinc/01/83/24/174018324.db2.gz NJAOOUAOJAYACU-AWEZNQCLSA-N 1 0 290.407 2.437 10 0 CEAERO CC(C)[NH+]1CCC(N2CCc3c(N)cccc3C2)CC1 ZINC000038032592 174028896 /nfs/dbraw/zinc/02/88/96/174028896.db2.gz XYWZZJDDRPIHPA-UHFFFAOYSA-N 1 0 273.424 2.500 10 0 CEAERO CCn1c2ccccc2nc1C[NH2+][C@@H]1CN2CCC1CC2 ZINC000038046616 174054919 /nfs/dbraw/zinc/05/49/19/174054919.db2.gz RFQWVIWLLLPAKY-OAHLLOKOSA-N 1 0 284.407 2.240 10 0 CEAERO CCOc1ccc([C@@](C)([NH2+][C@@H](C)CC)C(N)=O)cc1 ZINC000038065535 174076127 /nfs/dbraw/zinc/07/61/27/174076127.db2.gz WQURQEBPGUJGLL-XHDPSFHLSA-N 1 0 264.369 2.174 10 0 CEAERO CC[C@@H](C)[NH2+][C@](C)(C(N)=O)c1ccc(F)c(F)c1 ZINC000038065548 174076382 /nfs/dbraw/zinc/07/63/82/174076382.db2.gz OUXGOBVCGBOZNS-OQPBUACISA-N 1 0 256.296 2.053 10 0 CEAERO CC[C@H](C)[NH2+][C@@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000038065675 174076563 /nfs/dbraw/zinc/07/65/63/174076563.db2.gz VHFZWFXJVZSBQP-TVQRCGJNSA-N 1 0 254.761 2.429 10 0 CEAERO CC[NH2+][C@H](C[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000038085300 174096113 /nfs/dbraw/zinc/09/61/13/174096113.db2.gz UEHLKEMALDKZCB-GXTWGEPZSA-N 1 0 267.394 2.162 10 0 CEAERO C[C@@H](c1ccccc1OC(F)F)N1CC[NH2+]CC1 ZINC000038086729 174097383 /nfs/dbraw/zinc/09/73/83/174097383.db2.gz DQKKQGOSVFWKKN-JTQLQIEISA-N 1 0 256.296 2.254 10 0 CEAERO C[C@@H](c1cccc(OC(F)F)c1)N1CC[NH2+]CC1 ZINC000038086748 174097662 /nfs/dbraw/zinc/09/76/62/174097662.db2.gz XWMIAEYGESVOCF-JTQLQIEISA-N 1 0 256.296 2.254 10 0 CEAERO COc1cc([C@@H](C)[NH2+]C[C@H](C)N(C)C)ccc1O ZINC000038088649 174101657 /nfs/dbraw/zinc/10/16/57/174101657.db2.gz ZRCHOJUSOVPNPW-WDEREUQCSA-N 1 0 252.358 2.002 10 0 CEAERO C[C@H]1c2ccsc2CCN1C(=O)[C@](C)([NH3+])C1CC1 ZINC000038100930 174116269 /nfs/dbraw/zinc/11/62/69/174116269.db2.gz XCZBAWWPPJUPSK-LKFCYVNXSA-N 1 0 264.394 2.321 10 0 CEAERO COC(=O)[C@H]1C=C2c3cccc4[nH]cc(c43)C[C@@H]2[N@@H+](C)C1 ZINC000038151007 174134278 /nfs/dbraw/zinc/13/42/78/174134278.db2.gz RNHDWLRHUJZABX-NHYWBVRUSA-N 1 0 282.343 2.211 10 0 CEAERO CCCC[C@@H]1C[NH2+]CCN1Cc1ccc(C(=O)OC)cc1 ZINC000039952581 174177578 /nfs/dbraw/zinc/17/75/78/174177578.db2.gz NELHIIXWQNQQRW-MRXNPFEDSA-N 1 0 290.407 2.437 10 0 CEAERO C[C@H]([NH3+])Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000040173585 174199755 /nfs/dbraw/zinc/19/97/55/174199755.db2.gz OIGALTRBRNHILD-QMMMGPOBSA-N 1 0 262.334 2.429 10 0 CEAERO CCOCCn1c2cc(Cl)ccc2nc1CC[NH3+] ZINC000040405314 174254243 /nfs/dbraw/zinc/25/42/43/174254243.db2.gz AWLAAEJHQGHRSC-UHFFFAOYSA-N 1 0 267.760 2.227 10 0 CEAERO COc1ccc([C@H](C)NC(=O)CC[NH2+]C(C)C)cc1OC ZINC000040491295 174292530 /nfs/dbraw/zinc/29/25/30/174292530.db2.gz PWICFTHJFOSTGA-LBPRGKRZSA-N 1 0 294.395 2.269 10 0 CEAERO Cc1cccc(CC[C@@H](C)[NH2+][C@H]2CCS(=O)(=O)C2)c1 ZINC000040500419 174297074 /nfs/dbraw/zinc/29/70/74/174297074.db2.gz SFMVAZJAZXUPNF-HIFRSBDPSA-N 1 0 281.421 2.093 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(N)cc2Cl)C1 ZINC000040501642 174298523 /nfs/dbraw/zinc/29/85/23/174298523.db2.gz UKTJMORDLHNRMS-NSHDSACASA-N 1 0 281.787 2.136 10 0 CEAERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)C1 ZINC000040502908 174298983 /nfs/dbraw/zinc/29/89/83/174298983.db2.gz YMFZAUIGHBUCSW-SWLSCSKDSA-N 1 0 290.411 2.312 10 0 CEAERO Cc1cc(C)c(C(N)=S)c(OCC[NH+]2CCCCC2)n1 ZINC000040515028 174306349 /nfs/dbraw/zinc/30/63/49/174306349.db2.gz ORTPJXDKRFCYKA-UHFFFAOYSA-N 1 0 293.436 2.197 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](C)c1sc(C)nc1C ZINC000040519101 174308461 /nfs/dbraw/zinc/30/84/61/174308461.db2.gz UQULMPPOCQELNV-WCBMZHEXSA-N 1 0 255.387 2.065 10 0 CEAERO CCCC[C@H]([NH3+])C(=O)N[C@@H](C)c1sc(C)nc1C ZINC000040519130 174308640 /nfs/dbraw/zinc/30/86/40/174308640.db2.gz HGHOVURMLSKXOO-ONGXEEELSA-N 1 0 269.414 2.455 10 0 CEAERO Cc1nc(C)c([C@H](C)[NH2+][C@@H](C)C(=O)NC2CC2)s1 ZINC000040518743 174308766 /nfs/dbraw/zinc/30/87/66/174308766.db2.gz NSMVCCGOCJUPEV-CBAPKCEASA-N 1 0 267.398 2.078 10 0 CEAERO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(Cl)cc2O)C1 ZINC000040594952 174348548 /nfs/dbraw/zinc/34/85/48/174348548.db2.gz ZAMILWFCUVALJC-SNVBAGLBSA-N 1 0 282.771 2.117 10 0 CEAERO CCCCS(=O)(=O)NCC1CC[NH+](CC(C)C)CC1 ZINC000040630331 174358051 /nfs/dbraw/zinc/35/80/51/174358051.db2.gz XGYIXARQOMSCBM-UHFFFAOYSA-N 1 0 290.473 2.074 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2cccc(OCC(C)C)c2)C1 ZINC000040634208 174360550 /nfs/dbraw/zinc/36/05/50/174360550.db2.gz NYZJWIWLFXMHSA-GJZGRUSLSA-N 1 0 292.379 2.037 10 0 CEAERO CCOc1cccc(C[NH2+]CCc2nccn2C)c1 ZINC000040639406 174363774 /nfs/dbraw/zinc/36/37/74/174363774.db2.gz XAZIGCMQNYFGPS-UHFFFAOYSA-N 1 0 259.353 2.151 10 0 CEAERO COC(=O)C[C@H](C)[NH2+]C[C@@]1(N(C)C)CCC[C@@H](C)C1 ZINC000040669248 174368097 /nfs/dbraw/zinc/36/80/97/174368097.db2.gz ZDGHGEOGNDTUJO-VNHYZAJKSA-N 1 0 270.417 2.038 10 0 CEAERO CCOC1CCN(C[C@H]([NH3+])c2ccc(OC)cc2)CC1 ZINC000040689274 174376533 /nfs/dbraw/zinc/37/65/33/174376533.db2.gz RRXADBPGZYYKDZ-INIZCTEOSA-N 1 0 278.396 2.196 10 0 CEAERO CCOC1CCN([C@@H]2Cc3ccccc3[C@@H]2[NH3+])CC1 ZINC000040689276 174376701 /nfs/dbraw/zinc/37/67/01/174376701.db2.gz HUMCFBGDXIWVCR-CVEARBPZSA-N 1 0 260.381 2.112 10 0 CEAERO NNc1[nH+]cnc(Nc2ccc(Cl)c(Cl)c2)c1N ZINC000040704169 174378822 /nfs/dbraw/zinc/37/88/22/174378822.db2.gz GITITAJYHANZDK-UHFFFAOYSA-N 1 0 285.138 2.395 10 0 CEAERO CC[N@@H+]1CC[C@H](CNc2ncc(Br)cc2N)C1 ZINC000040713830 174382019 /nfs/dbraw/zinc/38/20/19/174382019.db2.gz BGJQBPNNHJIYLJ-SECBINFHSA-N 1 0 299.216 2.180 10 0 CEAERO COC(=O)c1sc(N[C@H]2CCC[N@H+](C)C2)nc1Cl ZINC000040716510 174383174 /nfs/dbraw/zinc/38/31/74/174383174.db2.gz TWTHTPNRWNMSQN-ZETCQYMHSA-N 1 0 289.788 2.089 10 0 CEAERO O=C(Cc1c[nH]c2ccccc12)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040740776 174391115 /nfs/dbraw/zinc/39/11/15/174391115.db2.gz QSIKLNRPVPYPQM-PBWFPOADSA-N 1 0 283.375 2.110 10 0 CEAERO CCCN(CC(=O)NC1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748465 174393354 /nfs/dbraw/zinc/39/33/54/174393354.db2.gz HOUGIOUFPLDENJ-XYPWUTKMSA-N 1 0 293.455 2.040 10 0 CEAERO c1cc(-c2ccc(C[NH2+][C@@H]3CN4CCC3CC4)cc2)n[nH]1 ZINC000040768585 174398636 /nfs/dbraw/zinc/39/86/36/174398636.db2.gz KMKAHHHAFUUPRQ-QGZVFWFLSA-N 1 0 282.391 2.261 10 0 CEAERO CCOC(=O)c1ccsc1NC(=O)CC[NH2+]C1CC1 ZINC000040851853 174421298 /nfs/dbraw/zinc/42/12/98/174421298.db2.gz WFRFWXYXTPZILC-UHFFFAOYSA-N 1 0 282.365 2.005 10 0 CEAERO C[C@@H](NC(=O)[C@]1(C)CC[NH2+]C1)c1cc(F)ccc1F ZINC000062891813 414759019 /nfs/dbraw/zinc/75/90/19/414759019.db2.gz ZIKGLRAFYWRNMB-YMTOWFKASA-N 1 0 268.307 2.142 10 0 CEAERO C[C@H]1CCCN(c2ncccc2Br)[C@@H]1C[NH3+] ZINC000069727443 414763418 /nfs/dbraw/zinc/76/34/18/414763418.db2.gz VRUQBPJFLDORSH-GXSJLCMTSA-N 1 0 284.201 2.408 10 0 CEAERO CC(C)([NH3+])c1cn(Cc2coc(-c3ccccc3)n2)nn1 ZINC000070118541 414765647 /nfs/dbraw/zinc/76/56/47/414765647.db2.gz QUJBMSVINGSXDP-UHFFFAOYSA-N 1 0 283.335 2.175 10 0 CEAERO [NH3+]CCCCC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000070202141 414770196 /nfs/dbraw/zinc/77/01/96/414770196.db2.gz OBXICVQIQFJBPD-UWVGGRQHSA-N 1 0 266.307 2.353 10 0 CEAERO COc1cccc(NC(=O)N[C@@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000041093206 174478102 /nfs/dbraw/zinc/47/81/02/174478102.db2.gz XUFWTOJQACQLIX-FZMZJTMJSA-N 1 0 277.368 2.347 10 0 CEAERO COc1ccc(Cl)cc1CC1(O)CC[NH2+]CC1 ZINC000041326032 174522385 /nfs/dbraw/zinc/52/23/85/174522385.db2.gz ZDQGYKMXWOZGDR-UHFFFAOYSA-N 1 0 255.745 2.006 10 0 CEAERO Cc1cc(OCC[C@H](O)CC[NH3+])cc(C)c1Cl ZINC000041328841 174525539 /nfs/dbraw/zinc/52/55/39/174525539.db2.gz CZESFSFMAFPOQS-LLVKDONJSA-N 1 0 257.761 2.435 10 0 CEAERO CC[C@@H]1CN(c2ncnc3ccccc32)CC[C@@H]1[NH3+] ZINC000123047219 414791369 /nfs/dbraw/zinc/79/13/69/414791369.db2.gz DYFPYXHXYVKGKX-YPMHNXCESA-N 1 0 256.353 2.193 10 0 CEAERO Cc1ccccc1CCC(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662980567 414816792 /nfs/dbraw/zinc/81/67/92/414816792.db2.gz QDINUHMTKVEQGM-GFCCVEGCSA-N 1 0 288.313 2.276 10 0 CEAERO Cc1cc(F)ccc1C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662985686 414819225 /nfs/dbraw/zinc/81/92/25/414819225.db2.gz YDUXPHUQCRFNCG-JTQLQIEISA-N 1 0 278.249 2.096 10 0 CEAERO C[C@H]([NH3+])c1ccc(NC(=O)NCc2ccccn2)cc1 ZINC000041711293 174612835 /nfs/dbraw/zinc/61/28/35/174612835.db2.gz RUEWJPUIZZKWHZ-NSHDSACASA-N 1 0 270.336 2.423 10 0 CEAERO CC[NH2+][C@H](C)c1cccc(NC(=O)N2CCC(O)CC2)c1 ZINC000041711490 174613515 /nfs/dbraw/zinc/61/35/15/174613515.db2.gz ZZPKXRPPZBEMSI-GFCCVEGCSA-N 1 0 291.395 2.346 10 0 CEAERO CCOC(=O)[C@H](C)n1c(C)cc2c1CCC[C@@H]2[NH3+] ZINC000041734254 174620274 /nfs/dbraw/zinc/62/02/74/174620274.db2.gz LMJNOIHCSXGXOS-JQWIXIFHSA-N 1 0 250.342 2.257 10 0 CEAERO COC(=O)[C@H](C(C)C)n1ccc2c1CCC[C@H]2[NH3+] ZINC000041735293 174620618 /nfs/dbraw/zinc/62/06/18/174620618.db2.gz CCGDJNZGTFKMDG-YPMHNXCESA-N 1 0 250.342 2.194 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NCc2nccn2C(C)C)C1 ZINC000657326031 414860444 /nfs/dbraw/zinc/86/04/44/414860444.db2.gz RMXCZUCHERDAAS-CYBMUJFWSA-N 1 0 250.390 2.038 10 0 CEAERO COc1ccc(CN(C)c2cc[nH+]cc2N)cc1OC ZINC000042141573 174641446 /nfs/dbraw/zinc/64/14/46/174641446.db2.gz CANIVVZZVSJOQV-UHFFFAOYSA-N 1 0 273.336 2.317 10 0 CEAERO CCC[NH2+]C1CCN(C(=O)[C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000042173621 174651974 /nfs/dbraw/zinc/65/19/74/174651974.db2.gz CEUJIQAQUOVHOU-GUTXKFCHSA-N 1 0 264.413 2.413 10 0 CEAERO CCCCCC[C@H](C)[NH2+][C@@H](C)C(=O)NCCOC ZINC000042220786 174659476 /nfs/dbraw/zinc/65/94/76/174659476.db2.gz OACKLCIQYREPIU-STQMWFEESA-N 1 0 258.406 2.086 10 0 CEAERO COc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)cc1 ZINC000653056752 414890570 /nfs/dbraw/zinc/89/05/70/414890570.db2.gz ZCZPJOYJGHNGHI-GHMZBOCLSA-N 1 0 288.269 2.032 10 0 CEAERO C[C@@H]1CCC[C@@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)[C@@H]1C ZINC000653057807 414891571 /nfs/dbraw/zinc/89/15/71/414891571.db2.gz QYYYSXBPAQGRBG-LZQZFOIKSA-N 1 0 292.345 2.325 10 0 CEAERO C[C@@H]1[C@@H](C)CCCN1C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653446126 414996704 /nfs/dbraw/zinc/99/67/04/414996704.db2.gz PMZRARZOJYNGMN-LNFKQOIKSA-N 1 0 278.318 2.031 10 0 CEAERO OC[C@@H]([NH2+]Cc1ccnc2ccccc12)C1CCC1 ZINC000657558076 414999628 /nfs/dbraw/zinc/99/96/28/414999628.db2.gz JOTHNDOJRQJWRL-MRXNPFEDSA-N 1 0 256.349 2.485 10 0 CEAERO CCC(CC)[C@H](CNC(=O)c1ccco1)[NH+](C)C ZINC000042560672 174795915 /nfs/dbraw/zinc/79/59/15/174795915.db2.gz UEAWKEFSINPSGB-LBPRGKRZSA-N 1 0 252.358 2.376 10 0 CEAERO CC(C)[NH2+]CCCS(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000042611577 174824604 /nfs/dbraw/zinc/82/46/04/174824604.db2.gz GYZAHDUGRKPODE-UONOGXRCSA-N 1 0 290.473 2.215 10 0 CEAERO Cc1cc(C)c(C[NH2+]C[C@@H]2CC(=O)N(C)C2)c(C)c1 ZINC000657694436 415051344 /nfs/dbraw/zinc/05/13/44/415051344.db2.gz MVXUTYBXTJNNML-AWEZNQCLSA-N 1 0 260.381 2.180 10 0 CEAERO CN1C[C@H](C[NH2+]Cc2ccc(Cl)c(F)c2)CC1=O ZINC000657695824 415051372 /nfs/dbraw/zinc/05/13/72/415051372.db2.gz FHPCYTXUXVPRRN-JTQLQIEISA-N 1 0 270.735 2.047 10 0 CEAERO OCC1CC([NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000657810742 415089727 /nfs/dbraw/zinc/08/97/27/415089727.db2.gz JWXUEZJLRPYEBI-UHFFFAOYSA-N 1 0 288.160 2.449 10 0 CEAERO CC[C@H](C)Oc1cc2c(cc1C[C@H](C)[NH3+])OCO2 ZINC000042878304 174901104 /nfs/dbraw/zinc/90/11/04/174901104.db2.gz PNMRLVQZCGMEOR-UWVGGRQHSA-N 1 0 251.326 2.482 10 0 CEAERO COc1c(C[NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)c(C)nn1C ZINC000657657869 415037646 /nfs/dbraw/zinc/03/76/46/415037646.db2.gz UOFXVCITTWGLSJ-AGIUHOORSA-N 1 0 263.385 2.263 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000042974898 174938391 /nfs/dbraw/zinc/93/83/91/174938391.db2.gz VJQCGEHPAZNVQC-ZIAGYGMSSA-N 1 0 268.788 2.451 10 0 CEAERO CCN(CC)C(=O)CN(C)[C@H](c1ccccc1C)[C@@H](C)[NH3+] ZINC000043036635 174951517 /nfs/dbraw/zinc/95/15/17/174951517.db2.gz VIYXKHCWTJANNO-PBHICJAKSA-N 1 0 291.439 2.184 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cccs1)N(CC)CC(=O)NC(C)C ZINC000043105937 174970911 /nfs/dbraw/zinc/97/09/11/174970911.db2.gz QOAQGHWEZGYJFZ-IUODEOHRSA-N 1 0 297.468 2.373 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1cccs1)n1nc(C)nc1C ZINC000043107449 174973373 /nfs/dbraw/zinc/97/33/73/174973373.db2.gz IAJRAYILYVJEPA-JQWIXIFHSA-N 1 0 250.371 2.283 10 0 CEAERO C[C@H]([NH3+])[C@H](c1cnn(C)c1)N(C)Cc1cccc(F)c1 ZINC000043126842 174978689 /nfs/dbraw/zinc/97/86/89/174978689.db2.gz LPHUAOANVGQBRM-XHDPSFHLSA-N 1 0 276.359 2.080 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1cnn(C)c1)n1cnc2ccccc21 ZINC000043232611 174986354 /nfs/dbraw/zinc/98/63/54/174986354.db2.gz DPPXEGUBEXYSMA-WFASDCNBSA-N 1 0 269.352 2.097 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccc(Br)s1)N(C)C ZINC000043259127 174995605 /nfs/dbraw/zinc/99/56/05/174995605.db2.gz QVIZICHNEQDMSN-HZGVNTEJSA-N 1 0 263.204 2.461 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Oc1ccc(C(N)=O)cc1)C(C)(C)C ZINC000043296778 174998660 /nfs/dbraw/zinc/99/86/60/174998660.db2.gz TXQQIXSIGLAZCY-QWHCGFSZSA-N 1 0 264.369 2.316 10 0 CEAERO C[NH2+][C@H](c1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000043300278 175000885 /nfs/dbraw/zinc/00/08/85/175000885.db2.gz GAQDRQQRNMIFGH-UFBFGSQYSA-N 1 0 291.775 2.174 10 0 CEAERO Cc1cc(C)c([C@H]([NH3+])[C@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000043300047 175000955 /nfs/dbraw/zinc/00/09/55/175000955.db2.gz SILVORKIXSAGPU-GXTWGEPZSA-N 1 0 267.394 2.046 10 0 CEAERO [NH3+][C@@H](c1cc(Cl)cc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043300099 175000985 /nfs/dbraw/zinc/00/09/85/175000985.db2.gz NYOMCMGAZKVQRF-WRWORJQWSA-N 1 0 294.203 2.428 10 0 CEAERO [NH3+][C@H](c1c(Cl)cccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000043300052 175001010 /nfs/dbraw/zinc/00/10/10/175001010.db2.gz BWXAKJMVYKPOHV-CPCISQLKSA-N 1 0 294.203 2.428 10 0 CEAERO C[NH2+][C@H](c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300432 175001140 /nfs/dbraw/zinc/00/11/40/175001140.db2.gz RAZZOQBGZGTOBA-ZYHUDNBSSA-N 1 0 273.785 2.035 10 0 CEAERO CC[NH2+][C@H](c1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000043300904 175001533 /nfs/dbraw/zinc/00/15/33/175001533.db2.gz VJXJDYLEOJEYAQ-ZFWWWQNUSA-N 1 0 281.421 2.389 10 0 CEAERO CC[NH2+][C@@H](c1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043300823 175001654 /nfs/dbraw/zinc/00/16/54/175001654.db2.gz WABGGBONWWRVRT-GWCFXTLKSA-N 1 0 289.347 2.050 10 0 CEAERO CC[NH2+][C@@H](c1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000043300901 175001790 /nfs/dbraw/zinc/00/17/90/175001790.db2.gz VJXJDYLEOJEYAQ-UKRRQHHQSA-N 1 0 281.421 2.389 10 0 CEAERO CCC[NH2+][C@H](c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043301394 175002183 /nfs/dbraw/zinc/00/21/83/175002183.db2.gz IDIHXFJSUGHKSF-UKRRQHHQSA-N 1 0 297.420 2.171 10 0 CEAERO CCC[NH2+][C@@H](c1ccccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000043301251 175002195 /nfs/dbraw/zinc/00/21/95/175002195.db2.gz REJYIUZJSWPQDX-SMDDNHRTSA-N 1 0 285.384 2.301 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccco1)N(C)C[C@@H]1CCCO1 ZINC000043335723 175011186 /nfs/dbraw/zinc/01/11/86/175011186.db2.gz HJOMVIMIMILCNJ-OBJOEFQTSA-N 1 0 252.358 2.169 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccco1)N(C)C1CCOCC1 ZINC000043335323 175011266 /nfs/dbraw/zinc/01/12/66/175011266.db2.gz IONNMBRBOIJUHZ-GXTWGEPZSA-N 1 0 252.358 2.169 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Oc1ccccc1C(N)=O)c1ccco1 ZINC000043337310 175012454 /nfs/dbraw/zinc/01/24/54/175012454.db2.gz GYBDHZBENRBISW-BXUZGUMPSA-N 1 0 274.320 2.236 10 0 CEAERO [NH3+]C[C@H](Sc1nnc2n1CCCCC2)c1ccco1 ZINC000043338206 175012539 /nfs/dbraw/zinc/01/25/39/175012539.db2.gz OAYUAEMNIHAOGC-NSHDSACASA-N 1 0 278.381 2.390 10 0 CEAERO CC[C@H](C)N(CCOC)[C@@H](c1ccccn1)[C@@H](C)[NH3+] ZINC000043340941 175015091 /nfs/dbraw/zinc/01/50/91/175015091.db2.gz RHGCWXAKJKANCF-GZBFAFLISA-N 1 0 265.401 2.217 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccccn1)n1cnc2ccccc21 ZINC000043341336 175015100 /nfs/dbraw/zinc/01/51/00/175015100.db2.gz GNYNUXNDNXPIBU-IAQYHMDHSA-N 1 0 252.321 2.368 10 0 CEAERO [NH3+]C[C@H](Oc1ccc(F)cc1F)c1ccccn1 ZINC000043341750 175015366 /nfs/dbraw/zinc/01/53/66/175015366.db2.gz IEVCCDUZPIMKPB-ZDUSSCGKSA-N 1 0 250.248 2.439 10 0 CEAERO C[C@H]([NH3+])[C@H](c1cccnc1)N(CC(F)(F)F)C1CC1 ZINC000043348625 175018444 /nfs/dbraw/zinc/01/84/44/175018444.db2.gz TUQXNILWEQYCJY-JOYOIKCWSA-N 1 0 273.302 2.497 10 0 CEAERO CC[C@@H]([NH3+])[C@H](OCCOC(C)C)c1cccnc1 ZINC000043350285 175019139 /nfs/dbraw/zinc/01/91/39/175019139.db2.gz GTIUEKCYHDSKPX-ZIAGYGMSSA-N 1 0 252.358 2.302 10 0 CEAERO C[C@H]([NH3+])[C@H](Oc1ccc2c(c1)OCO2)c1cccnc1 ZINC000043350559 175019844 /nfs/dbraw/zinc/01/98/44/175019844.db2.gz ULBPNCKXBXSERR-BONVTDFDSA-N 1 0 272.304 2.278 10 0 CEAERO COCCN(CC(C)C)[C@H](c1ccncc1)[C@@H](C)[NH3+] ZINC000043354386 175021436 /nfs/dbraw/zinc/02/14/36/175021436.db2.gz LBPQKPWKEWNRSJ-HIFRSBDPSA-N 1 0 265.401 2.074 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccncc1)n1cc(Cl)cn1 ZINC000043354977 175022931 /nfs/dbraw/zinc/02/29/31/175022931.db2.gz AWPDORGZUBWADW-RYUDHWBXSA-N 1 0 250.733 2.258 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccncc1)n1ccc(C(F)(F)F)n1 ZINC000043355040 175023032 /nfs/dbraw/zinc/02/30/32/175023032.db2.gz BDWZBLFHLTYBRP-LDYMZIIASA-N 1 0 270.258 2.234 10 0 CEAERO [NH3+]C[C@@H](OCc1ccc2c(c1)OCO2)c1ccncc1 ZINC000043355672 175023226 /nfs/dbraw/zinc/02/32/26/175023226.db2.gz PLXPWVBADIXKCM-OAHLLOKOSA-N 1 0 272.304 2.027 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Oc1ccc(CO)cc1)c1ccncc1 ZINC000043356307 175023431 /nfs/dbraw/zinc/02/34/31/175023431.db2.gz HDGMMNYERAIWCJ-HZPDHXFCSA-N 1 0 272.348 2.431 10 0 CEAERO CCCCOCCO[C@@H](c1ccncc1)[C@@H](C)[NH3+] ZINC000043355943 175023815 /nfs/dbraw/zinc/02/38/15/175023815.db2.gz KHENBIUTINVUBI-TZMCWYRMSA-N 1 0 252.358 2.303 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1nc(C)cc(=O)[nH]1)c1ccncc1 ZINC000043363228 175024122 /nfs/dbraw/zinc/02/41/22/175024122.db2.gz YHPMETJYIBAUBZ-AAEUAGOBSA-N 1 0 290.392 2.456 10 0 CEAERO Cc1ccc([C@@H]([C@H](C)[NH3+])N(C)C2CCOCC2)o1 ZINC000043364460 175025906 /nfs/dbraw/zinc/02/59/06/175025906.db2.gz SLINXOBSBBQRAV-SMDDNHRTSA-N 1 0 252.358 2.087 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)N(CCCO)C(C)C ZINC000043365169 175026909 /nfs/dbraw/zinc/02/69/09/175026909.db2.gz XDYCRFPROJNTQA-HIFRSBDPSA-N 1 0 268.401 2.459 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1nc[nH]n1)c1ccc(C)o1 ZINC000043367194 175026975 /nfs/dbraw/zinc/02/69/75/175026975.db2.gz GXJLLNHYCKYYRO-SCZZXKLOSA-N 1 0 252.343 2.277 10 0 CEAERO Cc1ccc([C@H](C[NH3+])n2ccc(C(F)(F)F)n2)o1 ZINC000043365593 175026987 /nfs/dbraw/zinc/02/69/87/175026987.db2.gz GUSCDGUFQLZPRU-QMMMGPOBSA-N 1 0 259.231 2.351 10 0 CEAERO C[C@H]([NH3+])[C@@H](OCCOc1ccccc1)C(F)(F)F ZINC000043384174 175031318 /nfs/dbraw/zinc/03/13/18/175031318.db2.gz LQZVUMBHJDWDHJ-GXSJLCMTSA-N 1 0 263.259 2.360 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1nccn1C)C(F)(F)F ZINC000043385505 175032021 /nfs/dbraw/zinc/03/20/21/175032021.db2.gz ZSNDHUHAMBZXNX-RQJHMYQMSA-N 1 0 253.293 2.180 10 0 CEAERO Cc1cnc(S[C@H]([C@@H](C)[NH3+])C(F)(F)F)nc1 ZINC000043386479 175032038 /nfs/dbraw/zinc/03/20/38/175032038.db2.gz IPCDMOQHQLOBLM-RNFRBKRXSA-N 1 0 251.277 2.155 10 0 CEAERO Fc1cc(-c2noc(CC[NH2+]C3CC3)n2)cc(F)c1F ZINC000043391636 175034498 /nfs/dbraw/zinc/03/44/98/175034498.db2.gz WSEWFUMTYBLXOM-UHFFFAOYSA-N 1 0 283.253 2.448 10 0 CEAERO CC(C)CCN(C)c1nc2c(cc1C(N)=[NH2+])CCC2 ZINC000043406695 175037043 /nfs/dbraw/zinc/03/70/43/175037043.db2.gz XVCVXRMAHNLQTJ-UHFFFAOYSA-N 1 0 260.385 2.337 10 0 CEAERO COc1cc(C)cc(OC)c1OC[C@H]1CCC[NH2+]1 ZINC000043496997 175058252 /nfs/dbraw/zinc/05/82/52/175058252.db2.gz SMTCWJGLJLFRKH-LLVKDONJSA-N 1 0 251.326 2.143 10 0 CEAERO CC[NH2+][C@@H](CN1CCN(C)CC1)c1cc2ccccc2o1 ZINC000043810849 175110505 /nfs/dbraw/zinc/11/05/05/175110505.db2.gz HHPJOUHMRSURNW-HNNXBMFYSA-N 1 0 287.407 2.331 10 0 CEAERO C[NH2+][C@H](CN(C)C(C)C)c1ccc(OC)c(OC)c1 ZINC000043813202 175110806 /nfs/dbraw/zinc/11/08/06/175110806.db2.gz KTYCYYQCVSKEAY-CYBMUJFWSA-N 1 0 266.385 2.305 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2C[C@H]1N(C)Cc1ccncc1 ZINC000043893862 175118842 /nfs/dbraw/zinc/11/88/42/175118842.db2.gz LYRHSQYBVAQPNE-IAGOWNOFSA-N 1 0 267.376 2.399 10 0 CEAERO C[NH2+][C@@H](CN1CCOC(C)(C)C1)c1cc(C)ccc1OC ZINC000043897715 175120318 /nfs/dbraw/zinc/12/03/18/175120318.db2.gz DASQZUKTHYMVML-HNNXBMFYSA-N 1 0 292.423 2.375 10 0 CEAERO CC[NH2+][C@H]1CCCCC[C@@H]1N(C)C1CCOCC1 ZINC000043898363 175121353 /nfs/dbraw/zinc/12/13/53/175121353.db2.gz UUXPHPIWQUKBNT-GJZGRUSLSA-N 1 0 254.418 2.408 10 0 CEAERO CC[NH2+][C@H]1CCOC[C@H]1N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000043900045 175122075 /nfs/dbraw/zinc/12/20/75/175122075.db2.gz QJIISSCGMZMPJZ-XUWVNRHRSA-N 1 0 266.429 2.266 10 0 CEAERO CCC[NH2+][C@@H]1CCOC[C@@H]1N1CCC(CC)CC1 ZINC000043913614 175124359 /nfs/dbraw/zinc/12/43/59/175124359.db2.gz SLFIPWPWKMDSGX-CABCVRRESA-N 1 0 254.418 2.266 10 0 CEAERO CC[NH2+][C@H](CN(C)CCOC)c1ccccc1OCC ZINC000043915980 175125153 /nfs/dbraw/zinc/12/51/53/175125153.db2.gz ARKFAXSJUXHWDT-OAHLLOKOSA-N 1 0 280.412 2.314 10 0 CEAERO C[NH2+][C@@H](c1ccc(OC)cc1)[C@@H](C)N(C)C[C@@H]1CCCO1 ZINC000043965895 175126953 /nfs/dbraw/zinc/12/69/53/175126953.db2.gz LZKGFCTUWIQTGC-XOKHGSTOSA-N 1 0 292.423 2.455 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2OC[C@@H]1N(CC)CCOC ZINC000043968702 175129673 /nfs/dbraw/zinc/12/96/73/175129673.db2.gz LZOIUMZTSKXZFN-HOCLYGCPSA-N 1 0 278.396 2.067 10 0 CEAERO C[NH2+][C@@H]1CCC2(C[C@@H]1N(C)CC1CCCCC1)OCCO2 ZINC000043968231 175129849 /nfs/dbraw/zinc/12/98/49/175129849.db2.gz UPQXOEHFRHKSDH-CVEARBPZSA-N 1 0 296.455 2.382 10 0 CEAERO CC[NH2+][C@H](CN(CCOC)C1CC1)c1ccc(OC)cc1 ZINC000043969946 175131582 /nfs/dbraw/zinc/13/15/82/175131582.db2.gz QWNUPPUKVMOUJB-QGZVFWFLSA-N 1 0 292.423 2.457 10 0 CEAERO CCC[NH2+][C@H](CC)[C@H](C)N(CCCOC)CCOC ZINC000043971086 175131819 /nfs/dbraw/zinc/13/18/19/175131819.db2.gz MMQQYFFBRJIJRD-LSDHHAIUSA-N 1 0 274.449 2.138 10 0 CEAERO CCC[NH2+][C@@H](CN(CCCOC)CCOC)C(C)(C)C ZINC000043971060 175132099 /nfs/dbraw/zinc/13/20/99/175132099.db2.gz IHADGKAACRFQDM-HNNXBMFYSA-N 1 0 288.476 2.386 10 0 CEAERO C[C@@H]1C[C@H](C)C[N@H+]([C@@H]2COc3ccccc3[C@@H]2O)C1 ZINC000044113773 175141140 /nfs/dbraw/zinc/14/11/40/175141140.db2.gz BTWVWUFBRRLAKJ-FIRUKDTASA-N 1 0 261.365 2.459 10 0 CEAERO [NH3+][C@@H]1CCCc2cc(OCCn3ccnc3)ccc21 ZINC000044732430 175241079 /nfs/dbraw/zinc/24/10/79/175241079.db2.gz YGGVZHDNHJWQGB-OAHLLOKOSA-N 1 0 257.337 2.298 10 0 CEAERO [NH3+][C@@H]1CCCc2cc(OCC(=O)NC3CCCC3)ccc21 ZINC000044744990 175241638 /nfs/dbraw/zinc/24/16/38/175241638.db2.gz CTDOXRXTAZPFFY-MRXNPFEDSA-N 1 0 288.391 2.460 10 0 CEAERO NC(=O)C1CCC([NH2+][C@@H]2CCCc3cc(O)ccc32)CC1 ZINC000044747277 175243280 /nfs/dbraw/zinc/24/32/80/175243280.db2.gz PWHWDLXBSMAKFX-IJGSQOGDSA-N 1 0 288.391 2.403 10 0 CEAERO CN(Cc1ccoc1)C(=O)C1(C[NH3+])CCCCC1 ZINC000044763280 175246994 /nfs/dbraw/zinc/24/69/94/175246994.db2.gz UEFNGZISXQUIQL-UHFFFAOYSA-N 1 0 250.342 2.147 10 0 CEAERO CCC(CC)(C[NH3+])C(=O)N(CCOC)[C@@H](C)C1CC1 ZINC000044764194 175248145 /nfs/dbraw/zinc/24/81/45/175248145.db2.gz SFPSFFQZJFXYRI-LBPRGKRZSA-N 1 0 270.417 2.025 10 0 CEAERO Cc1ccc(NC(=O)[C@@H](C[NH3+])Cc2ccccc2)nc1 ZINC000044799276 175255431 /nfs/dbraw/zinc/25/54/31/175255431.db2.gz PZXZQVXMGDKKOJ-CQSZACIVSA-N 1 0 269.348 2.146 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N(C)Cc1ccc(F)cc1 ZINC000044804070 175256114 /nfs/dbraw/zinc/25/61/14/175256114.db2.gz CXADDEGKCYTRCQ-GFCCVEGCSA-N 1 0 252.333 2.159 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)N1CCO[C@@H]2CCC[C@H]21 ZINC000044808285 175257019 /nfs/dbraw/zinc/25/70/19/175257019.db2.gz BZIOUSVEEYZNTB-ZIAGYGMSSA-N 1 0 282.428 2.312 10 0 CEAERO CCN(C(=O)[C@H]1CCCC[NH2+]1)c1cccc(F)c1 ZINC000044880538 175269386 /nfs/dbraw/zinc/26/93/86/175269386.db2.gz CABJHBBVSYDHBQ-CYBMUJFWSA-N 1 0 250.317 2.321 10 0 CEAERO [NH3+]CCCCS(=O)(=O)Nc1ccc2ccccc2c1 ZINC000044880436 175269578 /nfs/dbraw/zinc/26/95/78/175269578.db2.gz JQYQCSHJWVWXFC-UHFFFAOYSA-N 1 0 278.377 2.320 10 0 CEAERO O=S(=O)(Nc1ccc2ccccc2c1)[C@H]1CCC[NH2+]C1 ZINC000044881424 175269855 /nfs/dbraw/zinc/26/98/55/175269855.db2.gz BITPYZUGEHIGRE-HNNXBMFYSA-N 1 0 290.388 2.334 10 0 CEAERO CCN(c1cccc(F)c1)[C@@H](C[NH3+])[C@@H]1CCOC1 ZINC000044885492 175270178 /nfs/dbraw/zinc/27/01/78/175270178.db2.gz DPSYUZHZSKEPAL-RISCZKNCSA-N 1 0 252.333 2.016 10 0 CEAERO CCN(C[C@H](O)C[NH2+]C(C)C)c1cccc(F)c1 ZINC000044886010 175270445 /nfs/dbraw/zinc/27/04/45/175270445.db2.gz KGDIUIVAVUXMNT-CQSZACIVSA-N 1 0 254.349 2.011 10 0 CEAERO CCN(C(=O)[C@@H](C[NH3+])C(C)C)c1cccc(F)c1 ZINC000044931127 175279716 /nfs/dbraw/zinc/27/97/16/175279716.db2.gz JITVJPSTPARKME-ZDUSSCGKSA-N 1 0 252.333 2.410 10 0 CEAERO CO[C@@H]1C[NH2+][C@@H](c2nc(C3CCC(C)CC3)no2)C1 ZINC000044982927 175284168 /nfs/dbraw/zinc/28/41/68/175284168.db2.gz KZOURDLQIOCJFO-MMVSWEMESA-N 1 0 265.357 2.413 10 0 CEAERO CNC(=O)CC[NH2+][C@H](C)c1cc2cccc(OC)c2o1 ZINC000044988893 175285556 /nfs/dbraw/zinc/28/55/56/175285556.db2.gz BMOOBVRUKAYZHC-SNVBAGLBSA-N 1 0 276.336 2.228 10 0 CEAERO COCC[C@@H](C)[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000045018365 175291500 /nfs/dbraw/zinc/29/15/00/175291500.db2.gz DECHERRPBOVWSH-UKRRQHHQSA-N 1 0 250.386 2.304 10 0 CEAERO COCC[C@@](C)(C[NH3+])N(Cc1cccs1)C1CC1 ZINC000045043549 175295727 /nfs/dbraw/zinc/29/57/27/175295727.db2.gz ZLKAPMPASBDGFT-AWEZNQCLSA-N 1 0 268.426 2.466 10 0 CEAERO CSCC[C@H]([NH3+])C(=O)N1CCC[C@@H]1C1CCCC1 ZINC000045088397 175304055 /nfs/dbraw/zinc/30/40/55/175304055.db2.gz YEAASVGQFAWLFF-QWHCGFSZSA-N 1 0 270.442 2.248 10 0 CEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N(C)CC(C)(C)C)cc1 ZINC000045090085 175305218 /nfs/dbraw/zinc/30/52/18/175305218.db2.gz RBKDBWCJIXEQLW-UHFFFAOYSA-N 1 0 298.452 2.463 10 0 CEAERO COc1nc2sccn2c1C[NH2+][C@H]1CC1(C)C ZINC000045117339 175311433 /nfs/dbraw/zinc/31/14/33/175311433.db2.gz FQJFTRVNKARBPF-VIFPVBQESA-N 1 0 251.355 2.293 10 0 CEAERO CC(C)[N@@H+]1CC[C@H](CN2Cc3ccc(N)cc3C2)C1 ZINC000045136408 175313927 /nfs/dbraw/zinc/31/39/27/175313927.db2.gz NKDHVROCDCQOGL-CYBMUJFWSA-N 1 0 259.397 2.315 10 0 CEAERO CC(C)[N@@H+]1CC[C@H](CNc2ccccc2C(N)=S)C1 ZINC000045137194 175314290 /nfs/dbraw/zinc/31/42/90/175314290.db2.gz OZVODEHZBMQFRL-GFCCVEGCSA-N 1 0 277.437 2.463 10 0 CEAERO Cc1nn(C)c(C)c1[C@H](C)[NH2+]CCc1ccncc1 ZINC000045171513 175321167 /nfs/dbraw/zinc/32/11/67/175321167.db2.gz LTCLOBBFFFMIOC-NSHDSACASA-N 1 0 258.369 2.325 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NC)c1C ZINC000045171262 175321235 /nfs/dbraw/zinc/32/12/35/175321235.db2.gz FBHWPZURXUGUTN-FZMZJTMJSA-N 1 0 294.443 2.331 10 0 CEAERO CCCC[N@H+](CC)C[C@@](C)(NCCC)C(=O)OCC ZINC000045223304 175331555 /nfs/dbraw/zinc/33/15/55/175331555.db2.gz FOBFMTKDXZHAPI-OAHLLOKOSA-N 1 0 272.433 2.430 10 0 CEAERO CCCN[C@](C)(CC[NH+]1CCCCC1)C(=O)OCC ZINC000045230123 175334282 /nfs/dbraw/zinc/33/42/82/175334282.db2.gz VYXRCAZRFJCZBK-OAHLLOKOSA-N 1 0 270.417 2.184 10 0 CEAERO COC(=O)[C@](C)(CC[NH+]1CCCCCC1)NC(C)C ZINC000045228925 175334467 /nfs/dbraw/zinc/33/44/67/175334467.db2.gz DRVQPZUOGHIRDI-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO COC(=O)[C@@](N)(C[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000045231060 175334689 /nfs/dbraw/zinc/33/46/89/175334689.db2.gz DZHJPYIMYLXTQK-QGZVFWFLSA-N 1 0 290.407 2.278 10 0 CEAERO CCCN[C@](C)(C[NH+]1[C@@H](C)CCC[C@@H]1C)C(=O)OC ZINC000045231795 175335602 /nfs/dbraw/zinc/33/56/02/175335602.db2.gz LXFMOCCIWZLESK-KCQAQPDRSA-N 1 0 270.417 2.181 10 0 CEAERO CC[N@H+](CC[C@](C)(NC(C)C)C(=O)OC)CC(C)C ZINC000045264230 175337914 /nfs/dbraw/zinc/33/79/14/175337914.db2.gz HQTRRTNSNLSFCU-HNNXBMFYSA-N 1 0 272.433 2.284 10 0 CEAERO CCN[C@](C)(CC[N@H+](CC)C(C)C)C(=O)OCC ZINC000045265652 175338588 /nfs/dbraw/zinc/33/85/88/175338588.db2.gz VBQXXYPIFOPYKO-CQSZACIVSA-N 1 0 258.406 2.038 10 0 CEAERO CCOC(=O)[C@](C)(CC[N@H+](CC)C1CC1)NC(C)C ZINC000045267349 175339677 /nfs/dbraw/zinc/33/96/77/175339677.db2.gz BPYPBUPOFBCBIW-HNNXBMFYSA-N 1 0 270.417 2.181 10 0 CEAERO CCC[N@H+](CC)C[C@@](NC(C)C)(C(N)=O)c1ccccc1 ZINC000045267475 175339989 /nfs/dbraw/zinc/33/99/89/175339989.db2.gz RBTWOVVXIXBMKA-KRWDZBQOSA-N 1 0 291.439 2.097 10 0 CEAERO CCOC(=O)[C@](N)(C[N@H+](C)[C@@H](C)C(C)C)c1ccccc1 ZINC000045269797 175341313 /nfs/dbraw/zinc/34/13/13/175341313.db2.gz ZKJXDSCFVVGPKK-YOEHRIQHSA-N 1 0 292.423 2.380 10 0 CEAERO CCOC(=O)[C@@](C)(C[N@H+](C)[C@@H](C)C1CC1)NC(C)C ZINC000045270276 175341531 /nfs/dbraw/zinc/34/15/31/175341531.db2.gz GUYAHRFHNLVLLF-SWLSCSKDSA-N 1 0 270.417 2.037 10 0 CEAERO CN[C@@](C)(CC[N@H+](C)C1CCCCCC1)C(=O)OC ZINC000045271982 175342344 /nfs/dbraw/zinc/34/23/44/175342344.db2.gz XWYJKXXWQXEGCW-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CCN(C[C@@](C)([NH2+]C(C)C)C(N)=O)c1cccc(C)c1 ZINC000045273194 175344017 /nfs/dbraw/zinc/34/40/17/175344017.db2.gz KKZHKQDJKDILIY-MRXNPFEDSA-N 1 0 277.412 2.063 10 0 CEAERO CC(C)C[NH+](CC[C@@](C)(NC(C)C)C(N)=O)CC(C)C ZINC000045273863 175344445 /nfs/dbraw/zinc/34/44/45/175344445.db2.gz BKALRXSELLPVFK-MRXNPFEDSA-N 1 0 285.476 2.233 10 0 CEAERO COC(=O)[C@](C)(C[N@H+](C)[C@@H](C)C(C)(C)C)NC1CC1 ZINC000045274750 175344771 /nfs/dbraw/zinc/34/47/71/175344771.db2.gz RNGHKOBMZVERMF-NHYWBVRUSA-N 1 0 270.417 2.037 10 0 CEAERO CCOC(=O)[C@](C)(CC[N@H+](C)[C@@H](C)C(C)(C)C)NC ZINC000045274809 175345135 /nfs/dbraw/zinc/34/51/35/175345135.db2.gz XMEVNEPIKAKBIX-WFASDCNBSA-N 1 0 272.433 2.284 10 0 CEAERO CCC[N@H+](CC[C@@](C)(NC)C(=O)OCC)CC1CC1 ZINC000045276903 175346291 /nfs/dbraw/zinc/34/62/91/175346291.db2.gz XYDJHBNDAZYCCT-OAHLLOKOSA-N 1 0 270.417 2.040 10 0 CEAERO CC(C)N[C@](C)(CC[N@@H+]1CCC[C@@H]1C1CCCC1)C(N)=O ZINC000045277432 175347499 /nfs/dbraw/zinc/34/74/99/175347499.db2.gz OPMICMRMIHBOII-NVXWUHKLSA-N 1 0 295.471 2.273 10 0 CEAERO CC[NH2+][C@](C)(CC[N@H+](C)C1CCC(C)CC1)C(=O)[O-] ZINC000045280578 175349988 /nfs/dbraw/zinc/34/99/88/175349988.db2.gz VMHYBTRIJUNUTO-SSDMNJCBSA-N 1 0 270.417 2.340 10 0 CEAERO COC(=O)[C@@](C)(CC[N@H+](CC1CC1)C(C)C)NC(C)C ZINC000045281056 175350785 /nfs/dbraw/zinc/35/07/85/175350785.db2.gz LUZIJXUZWRZRRQ-MRXNPFEDSA-N 1 0 284.444 2.427 10 0 CEAERO CCOC(=O)[C@@](C)(CC[NH+]1CCC(CC)CC1)NC ZINC000045281441 175351905 /nfs/dbraw/zinc/35/19/05/175351905.db2.gz WQSCMNTVQOYPFY-OAHLLOKOSA-N 1 0 270.417 2.040 10 0 CEAERO CCN[C@@](C)(C[N@H+](C)C1CCC(CC)CC1)C(=O)OC ZINC000045281103 175352201 /nfs/dbraw/zinc/35/22/01/175352201.db2.gz YSHPBUUQMRZOGJ-XUJLQICISA-N 1 0 284.444 2.428 10 0 CEAERO CCCN[C@](C)(CC[NH+]1CCC(CC)CC1)C(=O)OC ZINC000045281460 175352878 /nfs/dbraw/zinc/35/28/78/175352878.db2.gz AHVFGOQIMWWIIB-MRXNPFEDSA-N 1 0 284.444 2.430 10 0 CEAERO CC(C)N[C@](C)(CC[N@H+](C)CC1CCCCC1)C(N)=O ZINC000045281683 175353018 /nfs/dbraw/zinc/35/30/18/175353018.db2.gz LLQXGIGEYKZPOP-MRXNPFEDSA-N 1 0 283.460 2.131 10 0 CEAERO CCC[NH2+][C@@](C)(CCC[N@@H+]1CCC[C@@H]1CC)C(=O)[O-] ZINC000045367455 175362847 /nfs/dbraw/zinc/36/28/47/175362847.db2.gz MUGKUEBXUBTFBC-ZFWWWQNUSA-N 1 0 270.417 2.484 10 0 CEAERO CCC[NH2+][C@@](C)(CCCC[N@@H+]1CCC[C@@H]1C)C(=O)[O-] ZINC000045367734 175363175 /nfs/dbraw/zinc/36/31/75/175363175.db2.gz VEUIUKVDLWVXCP-ZFWWWQNUSA-N 1 0 270.417 2.484 10 0 CEAERO CCCN[C@@H](C[N@H+](CC)C1CCCCC1)C(=O)OC ZINC000045372189 175365119 /nfs/dbraw/zinc/36/51/19/175365119.db2.gz MBHNXPNKLHDDQK-AWEZNQCLSA-N 1 0 270.417 2.182 10 0 CEAERO CCC[NH2+][C@@](C)(CCC[NH+]1CCC(C)CC1)C(=O)[O-] ZINC000045374890 175365589 /nfs/dbraw/zinc/36/55/89/175365589.db2.gz GSGOSEANIYKJRV-HNNXBMFYSA-N 1 0 270.417 2.341 10 0 CEAERO CC1CC[NH+](CCCC[C@@](C)([NH2+]C2CC2)C(=O)[O-])CC1 ZINC000045374756 175365936 /nfs/dbraw/zinc/36/59/36/175365936.db2.gz LPWBAQNZARSQLN-MRXNPFEDSA-N 1 0 282.428 2.484 10 0 CEAERO CCN[C@](C)(CCC[NH+]1CCCCCC1)C(=O)OC ZINC000045377531 175367216 /nfs/dbraw/zinc/36/72/16/175367216.db2.gz MSINOKGKMSONMG-OAHLLOKOSA-N 1 0 270.417 2.184 10 0 CEAERO CC(C)[NH2+][C@@](C)(CCC[NH+]1CCCCCC1)C(=O)[O-] ZINC000045377498 175367234 /nfs/dbraw/zinc/36/72/34/175367234.db2.gz OOUZQAKVELYXFO-HNNXBMFYSA-N 1 0 270.417 2.484 10 0 CEAERO CC[NH2+][C@](C)(CCCC[N@H+](C)CC(C)C)C(=O)[O-] ZINC000045380803 175369811 /nfs/dbraw/zinc/36/98/11/175369811.db2.gz TVESFHDDKRZJEY-CQSZACIVSA-N 1 0 258.406 2.197 10 0 CEAERO CCC[N@H+](C)CCCC[C@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000045382118 175370016 /nfs/dbraw/zinc/37/00/16/175370016.db2.gz XNKFETZOYFIWCI-AWEZNQCLSA-N 1 0 256.390 2.094 10 0 CEAERO CCC[N@H+](CCC[C@@](C)(NC)C(=O)OC)C(C)C ZINC000045385988 175372464 /nfs/dbraw/zinc/37/24/64/175372464.db2.gz CDTOCMNXAGGEAU-CQSZACIVSA-N 1 0 258.406 2.038 10 0 CEAERO CCCN[C@H](C[N@H+](C)C(CC)CC)C(=O)OCC ZINC000045391296 175374432 /nfs/dbraw/zinc/37/44/32/175374432.db2.gz PRPSKULBQQNXGU-CYBMUJFWSA-N 1 0 258.406 2.038 10 0 CEAERO C[NH2+][C@@](C)(CCC[NH+](CC(C)C)CC(C)C)C(=O)[O-] ZINC000045420401 175378529 /nfs/dbraw/zinc/37/85/29/175378529.db2.gz CYIGRNIOEGSWPP-HNNXBMFYSA-N 1 0 272.433 2.443 10 0 CEAERO CCN(CCCC[C@](C)([NH2+]C)C(N)=O)c1cccc(C)c1 ZINC000045420041 175378775 /nfs/dbraw/zinc/37/87/75/175378775.db2.gz WHJGGHKLFRZGDZ-KRWDZBQOSA-N 1 0 291.439 2.455 10 0 CEAERO Cc1nc(N[C@@H]2CCC[NH2+]C2)cc(-c2ccccn2)n1 ZINC000045955226 175389067 /nfs/dbraw/zinc/38/90/67/175389067.db2.gz WPJFFZBXOVZRIK-GFCCVEGCSA-N 1 0 269.352 2.011 10 0 CEAERO COc1ccc(CNC2=[NH+]CCNC23CCCCC3)cc1 ZINC000046153113 175393708 /nfs/dbraw/zinc/39/37/08/175393708.db2.gz OUFWRXFZDBIJGS-UHFFFAOYSA-N 1 0 287.407 2.489 10 0 CEAERO CCOc1ccccc1[C@H](C)[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000658243453 415277548 /nfs/dbraw/zinc/27/75/48/415277548.db2.gz DHTATUWMPGEVGK-QWHCGFSZSA-N 1 0 276.380 2.214 10 0 CEAERO [NH3+]CCCn1c(-c2ccccc2)nc2cccnc21 ZINC000049454765 175479762 /nfs/dbraw/zinc/47/97/62/175479762.db2.gz NVPMWIXETQTREE-UHFFFAOYSA-N 1 0 252.321 2.447 10 0 CEAERO C[C@]1(C(=O)N2CCC[C@H](OC3CCC3)C2)CCCC[NH2+]1 ZINC000655494616 415305465 /nfs/dbraw/zinc/30/54/65/415305465.db2.gz DUNXDJKTZRMLCX-GOEBONIOSA-N 1 0 280.412 2.079 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+][C@@H]2C[C@]2(C)OC)c1C ZINC000658333416 415322259 /nfs/dbraw/zinc/32/22/59/415322259.db2.gz YGEJIJCTKIKSOZ-BHYNMZESSA-N 1 0 251.374 2.348 10 0 CEAERO COc1ccc([C@@H](C)[NH2+]C2CC(CO)C2)c(OC)c1 ZINC000658351547 415334478 /nfs/dbraw/zinc/33/44/78/415334478.db2.gz NVHTYYJDRDONTN-VOMCLLRMSA-N 1 0 265.353 2.125 10 0 CEAERO Cc1nc(N2CCCOCC2)sc1C[NH2+]C(C)C ZINC000061937042 175658258 /nfs/dbraw/zinc/65/82/58/175658258.db2.gz BFAYHRHNFDIKBB-UHFFFAOYSA-N 1 0 269.414 2.176 10 0 CEAERO CCCc1nc(N2CCCO[C@@H](C)C2)sc1C[NH2+]C ZINC000061937024 175658326 /nfs/dbraw/zinc/65/83/26/175658326.db2.gz JOJUSDSBDDIKFP-NSHDSACASA-N 1 0 283.441 2.430 10 0 CEAERO CCC(C)(C)[C@@H](C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000659341064 415530748 /nfs/dbraw/zinc/53/07/48/415530748.db2.gz ZREYGJHAFVCITB-OPRDCNLKSA-N 1 0 280.334 2.325 10 0 CEAERO CC(C)[C@H]1C[C@](C[NH3+])(N(C)Cc2cscn2)CCO1 ZINC000070365294 175894684 /nfs/dbraw/zinc/89/46/84/175894684.db2.gz NONUTAFMQZUQJT-ZIAGYGMSSA-N 1 0 283.441 2.107 10 0 CEAERO Nc1cc[nH+]cc1C[C@@H](O)c1cccc2cccnc21 ZINC000070400379 175910487 /nfs/dbraw/zinc/91/04/87/175910487.db2.gz CZCNDKUBYGEUOF-OAHLLOKOSA-N 1 0 265.316 2.488 10 0 CEAERO C[NH2+][C@@H](Cc1ccc(C)cc1)Cc1cccnc1N ZINC000070407401 175913449 /nfs/dbraw/zinc/91/34/49/175913449.db2.gz XPEUYKWKKZTCON-HNNXBMFYSA-N 1 0 255.365 2.345 10 0 CEAERO CC(C)C[NH2+]Cc1cnc([C@H]2C[C@H]3CC[C@@H]2O3)nc1 ZINC000070428400 175924115 /nfs/dbraw/zinc/92/41/15/175924115.db2.gz JGRVDJOHAMNETF-RDBSUJKOSA-N 1 0 261.369 2.257 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1c1nc(-c2ccc3nccnc3c2)no1 ZINC000070432488 175927330 /nfs/dbraw/zinc/92/73/30/175927330.db2.gz KOGWGTZHBUOLJF-KOLCDFICSA-N 1 0 281.319 2.003 10 0 CEAERO [NH3+][C@@H]1CCN(c2nccn3nc(-c4cccc(F)c4)cc23)C1 ZINC000070459343 175941544 /nfs/dbraw/zinc/94/15/44/175941544.db2.gz UGKQZQXAKNZFGI-CYBMUJFWSA-N 1 0 297.337 2.073 10 0 CEAERO [NH3+]Cc1cccc(Cn2cc(C(F)(F)F)cn2)c1 ZINC000070466126 175946148 /nfs/dbraw/zinc/94/61/48/175946148.db2.gz VUDWNYMYVKUSDT-UHFFFAOYSA-N 1 0 255.243 2.409 10 0 CEAERO CCC[NH2+]C[C@@H]1CC[C@H](Cn2cc(C(F)(F)F)cn2)O1 ZINC000070467810 175947973 /nfs/dbraw/zinc/94/79/73/175947973.db2.gz ANYRRJVBNPIDJB-NWDGAFQWSA-N 1 0 291.317 2.449 10 0 CEAERO CC[NH2+][C@](C)(CO)CN1CCC(Cc2ccccc2)CC1 ZINC000070513159 175961363 /nfs/dbraw/zinc/96/13/63/175961363.db2.gz YNAYBRPNKKSPQM-SFHVURJKSA-N 1 0 290.451 2.302 10 0 CEAERO CCC[NH2+][C@@H](CO)CN1CCC(Cc2ccccc2)CC1 ZINC000070513180 175961917 /nfs/dbraw/zinc/96/19/17/175961917.db2.gz MDVQUXYBGHLYRD-GOSISDBHSA-N 1 0 290.451 2.302 10 0 CEAERO CCC[NH2+][C@@](CO)(Cn1cnc2ccccc21)C1CC1 ZINC000070515942 175965125 /nfs/dbraw/zinc/96/51/25/175965125.db2.gz QKFBUWCQWIJWDL-MRXNPFEDSA-N 1 0 273.380 2.177 10 0 CEAERO Cc1cc(C)nc(SC[C@](CO)([NH2+]C(C)C)C2CC2)n1 ZINC000070519937 175966510 /nfs/dbraw/zinc/96/65/10/175966510.db2.gz LTDZDDWAWNGCPE-HNNXBMFYSA-N 1 0 295.452 2.325 10 0 CEAERO CCC1(C(=O)N[C@H]2COc3ccccc32)CC[NH2+]CC1 ZINC000070530626 175972934 /nfs/dbraw/zinc/97/29/34/175972934.db2.gz XSJUINPBYCRDHU-ZDUSSCGKSA-N 1 0 274.364 2.016 10 0 CEAERO c1ccc(-c2noc(COC3CC[NH2+]CC3)n2)cc1 ZINC000070533576 175974751 /nfs/dbraw/zinc/97/47/51/175974751.db2.gz YRBSHSDLFFPWLJ-UHFFFAOYSA-N 1 0 259.309 2.005 10 0 CEAERO [NH3+][C@H]1CCC[C@@H](c2nc(Cc3ccccn3)no2)C1 ZINC000070557265 175985282 /nfs/dbraw/zinc/98/52/82/175985282.db2.gz LYAYUQDXWVMWDE-MNOVXSKESA-N 1 0 258.325 2.040 10 0 CEAERO [NH3+][C@@H]1CCC[C@H](C(=O)Nc2c(F)cccc2F)C1 ZINC000070574100 175989350 /nfs/dbraw/zinc/98/93/50/175989350.db2.gz CDQPVPCEQUNHIY-DTWKUNHWSA-N 1 0 254.280 2.421 10 0 CEAERO [NH3+]C[C@H]1CCO[C@@H]1c1cccc(Br)c1 ZINC000070674050 176000550 /nfs/dbraw/zinc/00/05/50/176000550.db2.gz ZNOXAMMANSEHGY-MWLCHTKSSA-N 1 0 256.143 2.485 10 0 CEAERO CCC([NH3+])(CC)COc1ncc(Br)cn1 ZINC000070879631 176009723 /nfs/dbraw/zinc/00/97/23/176009723.db2.gz UWJKOLWTFQLCCD-UHFFFAOYSA-N 1 0 274.162 2.135 10 0 CEAERO CC(C)[NH2+]Cc1cc2c(cc1O[C@@H]1CCOC1)OCO2 ZINC000070941811 176015466 /nfs/dbraw/zinc/01/54/66/176015466.db2.gz OUMAJFBDPRUZCX-GFCCVEGCSA-N 1 0 279.336 2.081 10 0 CEAERO [NH3+]CCN(C(=O)NC1CCCCC1)C1CCCC1 ZINC000070943739 176016256 /nfs/dbraw/zinc/01/62/56/176016256.db2.gz LZUREIGCWPLACA-UHFFFAOYSA-N 1 0 253.390 2.232 10 0 CEAERO CO[C@@H](C(=O)N(CC[NH3+])C1CCCC1)c1ccccc1 ZINC000070943575 176016257 /nfs/dbraw/zinc/01/62/57/176016257.db2.gz VKQPSRLJQXSSES-OAHLLOKOSA-N 1 0 276.380 2.104 10 0 CEAERO Cc1ccc(C)c(S(=O)(=O)N(CC[NH3+])C2CCCC2)c1 ZINC000070975327 176017824 /nfs/dbraw/zinc/01/78/24/176017824.db2.gz ATMOELJSNPLZLC-UHFFFAOYSA-N 1 0 296.436 2.195 10 0 CEAERO Cc1ccccc1NC(=O)CN(CC[NH3+])C1CCCC1 ZINC000070975471 176018162 /nfs/dbraw/zinc/01/81/62/176018162.db2.gz LEWCFQWUMMLBEO-UHFFFAOYSA-N 1 0 275.396 2.137 10 0 CEAERO Cc1ccc(C)c([C@H]2[C@@H]([NH3+])CCC(=O)N2C2CC2)c1 ZINC000070987404 176018738 /nfs/dbraw/zinc/01/87/38/176018738.db2.gz UIWZTHKPVRNHMH-HOCLYGCPSA-N 1 0 258.365 2.457 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN([C@@H](C)Cc2ccc(F)cc2)C1=O ZINC000071031257 176022460 /nfs/dbraw/zinc/02/24/60/176022460.db2.gz IQKUTBYUFVOGHJ-SWLSCSKDSA-N 1 0 278.371 2.356 10 0 CEAERO CC[NH2+][C@@H]1CCN(c2cccc3ccc(C)nc32)C1=O ZINC000071031461 176023148 /nfs/dbraw/zinc/02/31/48/176023148.db2.gz OIJNZJQMPDIDCF-CYBMUJFWSA-N 1 0 269.348 2.258 10 0 CEAERO C[NH2+][C@H]1CCCN([C@H](C)c2ccccc2F)C1=O ZINC000071031908 176023213 /nfs/dbraw/zinc/02/32/13/176023213.db2.gz FAMDMVXJNLQRSQ-MFKMUULPSA-N 1 0 250.317 2.097 10 0 CEAERO C[NH2+][C@H]1CCCN([C@@H](C)c2ccc(C)s2)C1=O ZINC000071032300 176023376 /nfs/dbraw/zinc/02/33/76/176023376.db2.gz DIRFRAMRWMSUFP-QWRGUYRKSA-N 1 0 252.383 2.328 10 0 CEAERO CC[NH2+][C@H]1CCCN(c2nc(CC)c(C)s2)C1=O ZINC000071032266 176023405 /nfs/dbraw/zinc/02/34/05/176023405.db2.gz BDKKUOVVEWDMSK-NSHDSACASA-N 1 0 267.398 2.119 10 0 CEAERO Cc1ccc([C@@H](C)N2CC[C@H]([NH2+]C(C)C)C2=O)o1 ZINC000071033719 176024207 /nfs/dbraw/zinc/02/42/07/176024207.db2.gz PHFPEFLLAXEUFQ-NEPJUHHUSA-N 1 0 250.342 2.248 10 0 CEAERO Cc1cc([C@@H](C)N2CC[C@@H]([NH2+]C3CC3)C2=O)c(C)o1 ZINC000071035191 176024698 /nfs/dbraw/zinc/02/46/98/176024698.db2.gz JYYOFJADCNFFCR-QMTHXVAHSA-N 1 0 262.353 2.310 10 0 CEAERO CCC[NH2+][C@@H]1CCCN(C[C@@H]2CC=CCC2)C1=O ZINC000071034547 176024706 /nfs/dbraw/zinc/02/47/06/176024706.db2.gz OYPAKYLJCUTUBI-ZIAGYGMSSA-N 1 0 250.386 2.333 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN([C@H](C)c2cccc(F)c2)C1=O ZINC000071034917 176024750 /nfs/dbraw/zinc/02/47/50/176024750.db2.gz CQJKMZGYWNEJSK-BXUZGUMPSA-N 1 0 264.344 2.486 10 0 CEAERO CCC[NH2+][C@H]1CCCN(Cc2ccc(F)c(F)c2)C1=O ZINC000071034455 176024946 /nfs/dbraw/zinc/02/49/46/176024946.db2.gz XKPRBMVVINNXKX-AWEZNQCLSA-N 1 0 282.334 2.455 10 0 CEAERO COc1ccc(Cl)cc1N1CC[C@@H]([NH2+]C2CC2)C1=O ZINC000071035966 176025217 /nfs/dbraw/zinc/02/52/17/176025217.db2.gz DOSKPXFMIQZYLT-LLVKDONJSA-N 1 0 280.755 2.206 10 0 CEAERO COc1ccc(N2CC[C@@H]([NH2+]C(C)C)C2=O)cc1C ZINC000071035442 176025496 /nfs/dbraw/zinc/02/54/96/176025496.db2.gz JKJMOYZQVOJEIH-CYBMUJFWSA-N 1 0 262.353 2.107 10 0 CEAERO C[C@H](Cc1ccsc1)N1CC[C@H]([NH2+]C2CC2)C1=O ZINC000071035408 176025533 /nfs/dbraw/zinc/02/55/33/176025533.db2.gz XZCPCOYCSGJWLA-MFKMUULPSA-N 1 0 264.394 2.032 10 0 CEAERO CCC1CCC(CN2CCC[C@H]([NH2+]C)C2=O)CC1 ZINC000071036840 176026225 /nfs/dbraw/zinc/02/62/25/176026225.db2.gz YVOJGZYTVKIWJR-RUXDESIVSA-N 1 0 252.402 2.413 10 0 CEAERO CC(C)[NH2+][C@@H]1CCCN(CCc2ccc(F)cc2)C1=O ZINC000071038167 176027210 /nfs/dbraw/zinc/02/72/10/176027210.db2.gz YVYMFXREPOWSHJ-OAHLLOKOSA-N 1 0 278.371 2.357 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCN1c1ccc2ncccc2c1 ZINC000071042562 176028444 /nfs/dbraw/zinc/02/84/44/176028444.db2.gz IWGBFOPUMXUCEE-OAHLLOKOSA-N 1 0 267.332 2.092 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN(Cc2cccc(Cl)c2)C1=O ZINC000071042459 176028606 /nfs/dbraw/zinc/02/86/06/176028606.db2.gz XWOUANOBHXGXHD-CYBMUJFWSA-N 1 0 266.772 2.439 10 0 CEAERO C[C@@H](CN1CCCC1)[NH2+]C[C@H]1OCCc2ccccc21 ZINC000071090852 176031009 /nfs/dbraw/zinc/03/10/09/176031009.db2.gz CCONAKFKXOXOET-WMLDXEAASA-N 1 0 274.408 2.374 10 0 CEAERO CC(C)C[C@@H](CO)[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000071090800 176031041 /nfs/dbraw/zinc/03/10/41/176031041.db2.gz OEHRJUNRRICTSL-HOCLYGCPSA-N 1 0 263.381 2.297 10 0 CEAERO CC[NH2+]CCN(CC)C[C@@H]1OCCc2ccccc21 ZINC000071091538 176032285 /nfs/dbraw/zinc/03/22/85/176032285.db2.gz PLGYTCPJPFWEQY-INIZCTEOSA-N 1 0 262.397 2.232 10 0 CEAERO CCOC(=O)[C@]1(NCC[NH+](C)C)CCC[C@@H](CC)C1 ZINC000071126007 176035697 /nfs/dbraw/zinc/03/56/97/176035697.db2.gz WSGUIIVJCYAPIS-HIFRSBDPSA-N 1 0 270.417 2.040 10 0 CEAERO CC[C@H]1CCC[C@H](Oc2c(C(N)=[NH2+])c(C)nn2C)C1 ZINC000071132591 176036049 /nfs/dbraw/zinc/03/60/49/176036049.db2.gz GQCHEKSCPPSZIQ-QWRGUYRKSA-N 1 0 264.373 2.360 10 0 CEAERO COCC[NH2+]C[C@@H]1CCCCN1Cc1ccc(OC)cc1 ZINC000071137981 176036303 /nfs/dbraw/zinc/03/63/03/176036303.db2.gz PMIXLBZBCNOFLL-INIZCTEOSA-N 1 0 292.423 2.286 10 0 CEAERO COc1cc(OC)cc(OCc2cccnc2C[NH3+])c1 ZINC000071138406 176037183 /nfs/dbraw/zinc/03/71/83/176037183.db2.gz BHXZZGXSEQQXCK-UHFFFAOYSA-N 1 0 274.320 2.137 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccccc2Br)C1 ZINC000071140003 176038568 /nfs/dbraw/zinc/03/85/68/176038568.db2.gz WGOLBRPYCJIWID-SNVBAGLBSA-N 1 0 297.196 2.225 10 0 CEAERO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(Cl)cn2C2CC2)C1 ZINC000071143275 176040837 /nfs/dbraw/zinc/04/08/37/176040837.db2.gz DKHBAPOOUIURHI-JTQLQIEISA-N 1 0 281.787 2.158 10 0 CEAERO C[NH2+]C[C@@H]1CCN(Cc2noc(-c3cccc(C)c3)n2)C1 ZINC000071146102 176041739 /nfs/dbraw/zinc/04/17/39/176041739.db2.gz JULMUVLDNNGOJY-ZDUSSCGKSA-N 1 0 286.379 2.086 10 0 CEAERO C[NH2+]C[C@@H]1CCN(Cc2ncc(C(C)(C)C)o2)C1 ZINC000071146605 176042901 /nfs/dbraw/zinc/04/29/01/176042901.db2.gz CZZOZUDKJHJLAA-NSHDSACASA-N 1 0 251.374 2.013 10 0 CEAERO CC[C@@H]1CCCC[C@]1(C[NH3+])N(C)Cc1nccn1C ZINC000071162182 176046775 /nfs/dbraw/zinc/04/67/75/176046775.db2.gz DOCFDOHSQXWMTL-UKRRQHHQSA-N 1 0 264.417 2.150 10 0 CEAERO NNc1ccc(COc2cc(F)ccc2F)c[nH+]1 ZINC000071168642 176049921 /nfs/dbraw/zinc/04/99/21/176049921.db2.gz QZMXOOQQDRTFJW-UHFFFAOYSA-N 1 0 251.236 2.224 10 0 CEAERO CC[NH2+]Cc1nnnn1-c1ccccc1C(C)(C)C ZINC000071175115 176054312 /nfs/dbraw/zinc/05/43/12/176054312.db2.gz NMDNPXBNOICHGF-UHFFFAOYSA-N 1 0 259.357 2.069 10 0 CEAERO CCCOc1cncc(N[C@H]2CCCCC[C@H]2[NH3+])n1 ZINC000071176209 176054823 /nfs/dbraw/zinc/05/48/23/176054823.db2.gz ZVFOOOMABSBQFR-NEPJUHHUSA-N 1 0 264.373 2.337 10 0 CEAERO CCC[NH2+]C[C@@H]1CCCN1c1cncc(OCCC)n1 ZINC000071176815 176055189 /nfs/dbraw/zinc/05/51/89/176055189.db2.gz ZYXPEAQWVFLHOE-ZDUSSCGKSA-N 1 0 278.400 2.234 10 0 CEAERO CCCOc1cncc(N(C)CC[NH2+]C(C)(C)C)n1 ZINC000071176804 176055356 /nfs/dbraw/zinc/05/53/56/176055356.db2.gz ZUBZPOGXCUISIC-UHFFFAOYSA-N 1 0 266.389 2.090 10 0 CEAERO CN1CC[C@@H](Oc2c(Cl)cc(Cl)cc2C[NH3+])C1=O ZINC000071183005 176057911 /nfs/dbraw/zinc/05/79/11/176057911.db2.gz YPBVBDRQNGJFNU-SNVBAGLBSA-N 1 0 289.162 2.062 10 0 CEAERO [NH3+]Cc1ccc(N[C@H](CO)Cc2ccccc2)c(F)c1 ZINC000071187508 176060666 /nfs/dbraw/zinc/06/06/66/176060666.db2.gz ZVHZNMVPTHVBQL-AWEZNQCLSA-N 1 0 274.339 2.300 10 0 CEAERO Cc1cc(C(=O)N(C)C[C@H]2CC[N@H+](C)C2)ccc1F ZINC000071189357 176064554 /nfs/dbraw/zinc/06/45/54/176064554.db2.gz RTPGMGCDOGLPIJ-LBPRGKRZSA-N 1 0 264.344 2.158 10 0 CEAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cccc2[nH]ccc21 ZINC000071192953 176074791 /nfs/dbraw/zinc/07/47/91/176074791.db2.gz VVPYRBAWTFNMAI-LBPRGKRZSA-N 1 0 271.364 2.192 10 0 CEAERO CC[NH2+][C@H]1CCCN(Cc2ccc(OC)cc2OC)C1 ZINC000071199834 176077264 /nfs/dbraw/zinc/07/72/64/176077264.db2.gz WPAKLMKXDNZGDI-AWEZNQCLSA-N 1 0 278.396 2.278 10 0 CEAERO Fc1cc(F)cc(CCN2CC[C@@H]([NH2+]C3CC3)C2)c1 ZINC000071199520 176077287 /nfs/dbraw/zinc/07/72/87/176077287.db2.gz SLYLCOCKYASACA-OAHLLOKOSA-N 1 0 266.335 2.334 10 0 CEAERO CC[NH2+][C@@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000071199142 176077339 /nfs/dbraw/zinc/07/73/39/176077339.db2.gz QMUHPOJXTSOXAF-OAHLLOKOSA-N 1 0 250.361 2.442 10 0 CEAERO Cc1csc(CCN2CCC[C@@H]([NH2+]C3CC3)C2)n1 ZINC000071200238 176077467 /nfs/dbraw/zinc/07/74/67/176077467.db2.gz ZICUDKHOYVMVHU-CYBMUJFWSA-N 1 0 265.426 2.210 10 0 CEAERO CCOC(=O)c1ncsc1NC[C@@H]1CCC[N@@H+]1CC ZINC000071201779 176078343 /nfs/dbraw/zinc/07/83/43/176078343.db2.gz VPHLABJUPUEWMS-JTQLQIEISA-N 1 0 283.397 2.216 10 0 CEAERO C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1F ZINC000071207298 176080946 /nfs/dbraw/zinc/08/09/46/176080946.db2.gz YFUSXMJCEMMTCM-NOZJJQNGSA-N 1 0 250.317 2.203 10 0 CEAERO CCCC1(C(=O)N[C@H]2CCC[C@H]2C)CC[NH2+]CC1 ZINC000071209044 176081720 /nfs/dbraw/zinc/08/17/20/176081720.db2.gz NHYMCWMDVRRHKM-OLZOCXBDSA-N 1 0 252.402 2.461 10 0 CEAERO COCCN(CCC[NH3+])C(=O)C[C@H](C)CC(C)(C)C ZINC000071222984 176088187 /nfs/dbraw/zinc/08/81/87/176088187.db2.gz MZGODTYMFKLDBS-ZDUSSCGKSA-N 1 0 272.433 2.273 10 0 CEAERO CC[N@@H+](Cc1ccc(F)cc1C(N)=S)C[C@H]1CCCO1 ZINC000071265953 176099215 /nfs/dbraw/zinc/09/92/15/176099215.db2.gz OGYCGZXPPLSJRX-CYBMUJFWSA-N 1 0 296.411 2.461 10 0 CEAERO COC[C@H](O)C[NH2+][C@H](c1ccccc1)c1ccc(O)cc1 ZINC000071267603 176100863 /nfs/dbraw/zinc/10/08/63/176100863.db2.gz ZUVYUKYCJGJNPD-IAGOWNOFSA-N 1 0 287.359 2.079 10 0 CEAERO C[NH2+][C@@H](C)c1cccc(NC(=O)NCc2nccn2C)c1 ZINC000071274498 176106158 /nfs/dbraw/zinc/10/61/58/176106158.db2.gz PUZACHWYPDWLHJ-NSHDSACASA-N 1 0 287.367 2.022 10 0 CEAERO CCOC(=O)CCCCC[N@H+](CCOC)[C@H](C)COC ZINC000071293270 176110963 /nfs/dbraw/zinc/11/09/63/176110963.db2.gz QFCBBJBUZHUFSN-CQSZACIVSA-N 1 0 289.416 2.093 10 0 CEAERO CN([C@@H](c1ccccc1)c1ccccn1)[C@@H]1CC[NH2+]C1 ZINC000071309577 176116712 /nfs/dbraw/zinc/11/67/12/176116712.db2.gz BBIXFBSGXYQWKA-WBVHZDCISA-N 1 0 267.376 2.465 10 0 CEAERO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(C)cc(C)c1 ZINC000071330549 176124354 /nfs/dbraw/zinc/12/43/54/176124354.db2.gz YXGFNOFOQXITFJ-AWEZNQCLSA-N 1 0 296.436 2.066 10 0 CEAERO CCCN(c1ccccc1S(=O)(=O)CC)[C@@H]1CC[NH2+]C1 ZINC000071332800 176125957 /nfs/dbraw/zinc/12/59/57/176125957.db2.gz IBBLFJVWESIJGC-CYBMUJFWSA-N 1 0 296.436 2.059 10 0 CEAERO Cc1cccc(C(=O)NC[C@@H]2[NH2+]CCC[C@H]2C)c1C ZINC000071338497 176128650 /nfs/dbraw/zinc/12/86/50/176128650.db2.gz PEQXSGHPAOFLPK-DOMZBBRYSA-N 1 0 260.381 2.421 10 0 CEAERO C[C@@H]1CCC[NH2+][C@@H]1CNC(=O)Nc1ccccc1F ZINC000071338939 176129319 /nfs/dbraw/zinc/12/93/19/176129319.db2.gz NOPPNOPYOHBBIQ-ZWNOBZJWSA-N 1 0 265.332 2.335 10 0 CEAERO CC1(C)C[N@H+](CCCn2ccnc2)C2(CCCC2)CN1 ZINC000071343227 176131074 /nfs/dbraw/zinc/13/10/74/176131074.db2.gz OHQQDBKBZRSKSE-UHFFFAOYSA-N 1 0 276.428 2.270 10 0 CEAERO CC[C@@H]1CN(CCOCCOC)C2(CCCCC2)C[NH2+]1 ZINC000071345483 176131341 /nfs/dbraw/zinc/13/13/41/176131341.db2.gz OEXJXVUTYACTIX-OAHLLOKOSA-N 1 0 284.444 2.036 10 0 CEAERO CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ncccc1C ZINC000071345268 176131616 /nfs/dbraw/zinc/13/16/16/176131616.db2.gz HKECEYCBLWIEBM-GOOCMWNKSA-N 1 0 259.397 2.495 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1CCn1ccnc1C ZINC000071346524 176131846 /nfs/dbraw/zinc/13/18/46/176131846.db2.gz CEZQDYNXXHJGTI-HUUCEWRRSA-N 1 0 278.444 2.290 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1CCn1cccn1 ZINC000071347207 176131980 /nfs/dbraw/zinc/13/19/80/176131980.db2.gz LDHFWVCHBVEFMG-GJZGRUSLSA-N 1 0 278.444 2.228 10 0 CEAERO COCC[N@@H+]1C[C@@H](C(C)(C)C)NCC12CCCC2 ZINC000071348954 176132866 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CC[C@H](C)[C@H]1CN(Cc2cnn(C)c2)[C@H](C(C)C)C[NH2+]1 ZINC000071354999 176136888 /nfs/dbraw/zinc/13/68/88/176136888.db2.gz NUNNAZISUQOUDV-IMJJTQAJSA-N 1 0 278.444 2.265 10 0 CEAERO CC[C@]1(C)CN(Cc2ncccn2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000071358084 176137216 /nfs/dbraw/zinc/13/72/16/176137216.db2.gz XOYVOXWSWURRQI-HZPDHXFCSA-N 1 0 274.412 2.219 10 0 CEAERO CC[C@H]1C[NH2+]C2(CCCCC2)CN1Cc1ncccn1 ZINC000071359395 176137242 /nfs/dbraw/zinc/13/72/42/176137242.db2.gz XWSQPBVOZKHSRI-AWEZNQCLSA-N 1 0 274.412 2.363 10 0 CEAERO CC[C@]1(C)C[NH2+]C2(CCCC2)CN1CCOCCOC ZINC000071359038 176137725 /nfs/dbraw/zinc/13/77/25/176137725.db2.gz RFORRNHVFSMHHW-OAHLLOKOSA-N 1 0 284.444 2.036 10 0 CEAERO C[C@@H]1CCC[C@](CO)([NH2+]Cc2cnn3ccccc23)C1 ZINC000071373518 176139035 /nfs/dbraw/zinc/13/90/35/176139035.db2.gz RHXKPJJDJTUWNT-CJNGLKHVSA-N 1 0 273.380 2.365 10 0 CEAERO CC(C)[N@H+](CCn1ccc(N)n1)Cc1ccccc1 ZINC000071377839 176143100 /nfs/dbraw/zinc/14/31/00/176143100.db2.gz IZLNAVLMXNIYFA-UHFFFAOYSA-N 1 0 258.369 2.376 10 0 CEAERO C[N@H+](CCNc1ncccc1C(N)=S)C1CCCC1 ZINC000071379274 176143713 /nfs/dbraw/zinc/14/37/13/176143713.db2.gz KPQCJRCQGFOXAW-UHFFFAOYSA-N 1 0 278.425 2.002 10 0 CEAERO NC(=[NH2+])c1cc2ccccc2nc1OCC1CCOCC1 ZINC000071390394 176148391 /nfs/dbraw/zinc/14/83/91/176148391.db2.gz XVGACBXRAMKPJR-UHFFFAOYSA-N 1 0 285.347 2.324 10 0 CEAERO [NH3+][C@H](CCC(=O)N1C[C@H]2CC[C@@H]1C2)c1ccccc1 ZINC000071401219 176153552 /nfs/dbraw/zinc/15/35/52/176153552.db2.gz QDXVDKKSENOTKY-NWANDNLSSA-N 1 0 258.365 2.478 10 0 CEAERO C[NH2+]Cc1cc(C)ccc1O[C@H](C)C(=O)NC(C)(C)C ZINC000071403652 176154772 /nfs/dbraw/zinc/15/47/72/176154772.db2.gz IXJQYJBVXCMFFT-GFCCVEGCSA-N 1 0 278.396 2.396 10 0 CEAERO CCOC(=O)[C@H](C)Oc1ccc(C)cc1C[NH2+]C ZINC000071403528 176155045 /nfs/dbraw/zinc/15/50/45/176155045.db2.gz NVWPXQQAWBSZPI-NSHDSACASA-N 1 0 251.326 2.045 10 0 CEAERO CC[NH2+]Cc1cc(C)ccc1OCC(=O)N(CC)CC ZINC000071406092 176156004 /nfs/dbraw/zinc/15/60/04/176156004.db2.gz INUIFUYFROFLFC-UHFFFAOYSA-N 1 0 278.396 2.352 10 0 CEAERO Cc1ccncc1NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000071414230 176159465 /nfs/dbraw/zinc/15/94/65/176159465.db2.gz ROXMCXWUDOIIMT-CYBMUJFWSA-N 1 0 255.321 2.419 10 0 CEAERO c1cc2c(cc1SC[C@@H]1CCC[NH2+]1)OCCO2 ZINC000071573389 176199733 /nfs/dbraw/zinc/19/97/33/176199733.db2.gz LXFWMNBFZNJSDL-JTQLQIEISA-N 1 0 251.351 2.302 10 0 CEAERO COc1ccc(F)cc1CN1CC[NH2+]CC1(C)C ZINC000071574174 176201230 /nfs/dbraw/zinc/20/12/30/176201230.db2.gz MRDLUZJLJYURFY-UHFFFAOYSA-N 1 0 252.333 2.018 10 0 CEAERO CCOc1ccc([C@H](O)[C@@H](C)[NH2+]C2CC2)cc1F ZINC000071574682 176201487 /nfs/dbraw/zinc/20/14/87/176201487.db2.gz XBWOLRIWGAKQIE-YMTOWFKASA-N 1 0 253.317 2.398 10 0 CEAERO COc1cc([C@H](O)C[NH2+]C(C)C)c(OC)cc1C ZINC000071574791 176202024 /nfs/dbraw/zinc/20/20/24/176202024.db2.gz QNWFAIKGLFLEID-GFCCVEGCSA-N 1 0 253.342 2.044 10 0 CEAERO CC(C)[C@@H]([NH3+])[C@@H](O)c1cccc(Br)c1 ZINC000071583632 176208267 /nfs/dbraw/zinc/20/82/67/176208267.db2.gz IBEKPCMGHQNIBW-MNOVXSKESA-N 1 0 258.159 2.466 10 0 CEAERO CCc1cc(-c2c[nH]c(CC[NH2+]C)n2)ccc1OC ZINC000071585549 176211247 /nfs/dbraw/zinc/21/12/47/176211247.db2.gz KEBDQXDPXWGSFB-UHFFFAOYSA-N 1 0 259.353 2.410 10 0 CEAERO COc1ccccc1[C@@H]1Cc2n[nH]c(C)c2[C@H]([NH3+])C1 ZINC000072415411 176399385 /nfs/dbraw/zinc/39/93/85/176399385.db2.gz KBBSFKPJPQLFIO-CMPLNLGQSA-N 1 0 257.337 2.457 10 0 CEAERO OCCC[C@@H]1CCC[N@@H+]1Cc1cnc2ccccc2n1 ZINC000659871821 415751299 /nfs/dbraw/zinc/75/12/99/415751299.db2.gz XHLUECWWWRGGCF-AWEZNQCLSA-N 1 0 271.364 2.367 10 0 CEAERO C[C@@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)c1ccccc1Cl ZINC000662444928 415846810 /nfs/dbraw/zinc/84/68/10/415846810.db2.gz KXNRUHZNCHUGBH-OPRDCNLKSA-N 1 0 252.745 2.255 10 0 CEAERO CCc1nsc(N2CCC([C@H]3CCC[NH2+]C3)CC2)n1 ZINC000656608911 415783967 /nfs/dbraw/zinc/78/39/67/415783967.db2.gz OQBVZRZBAFQFJI-LBPRGKRZSA-N 1 0 280.441 2.317 10 0 CEAERO [NH3+]CC12CC(C1)CN2c1ccnc(C(F)(F)F)c1 ZINC000656611087 415787553 /nfs/dbraw/zinc/78/75/53/415787553.db2.gz SSASBPHJMSTINF-UHFFFAOYSA-N 1 0 257.259 2.028 10 0 CEAERO C[C@]1(C(=O)NC[C@@H]2CCC[C@H]3C[C@H]32)CCCC[NH2+]1 ZINC000662664721 415924334 /nfs/dbraw/zinc/92/43/34/415924334.db2.gz GANPOMAKUFDNPF-RMRHIDDWSA-N 1 0 250.386 2.071 10 0 CEAERO C[C@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)c1ccc(Cl)s1 ZINC000662483328 415859581 /nfs/dbraw/zinc/85/95/81/415859581.db2.gz UWFVJWWNUSNJIS-FXQIFTODSA-N 1 0 258.774 2.316 10 0 CEAERO CC[C@@H]([NH2+]C)C(=O)N[C@H](C)c1ccc(C)c(F)c1 ZINC000662497824 415865428 /nfs/dbraw/zinc/86/54/28/415865428.db2.gz YPGDYFUTCORCJW-ZWNOBZJWSA-N 1 0 252.333 2.309 10 0 CEAERO Cc1cc[n+](CCC(=O)Nc2ccc(F)cc2)cc1 ZINC000075305509 176685886 /nfs/dbraw/zinc/68/58/86/176685886.db2.gz YUKTYTFXPIDYNK-UHFFFAOYSA-O 1 0 259.304 2.450 10 0 CEAERO Cc1ccc(S(=O)(=O)C[C@H]([NH3+])C(C)C)c(C)c1 ZINC000076301294 176974073 /nfs/dbraw/zinc/97/40/73/176974073.db2.gz INKFWAJRXMXRSB-LBPRGKRZSA-N 1 0 255.383 2.060 10 0 CEAERO COc1cc(C)c([C@H](O)[C@@H](C)[NH2+]C2CC2)c(OC)c1 ZINC000076372345 177008597 /nfs/dbraw/zinc/00/85/97/177008597.db2.gz DMVCMWTUAAEOPF-MEBBXXQBSA-N 1 0 265.353 2.186 10 0 CEAERO O=C(OCc1ccccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000076574106 177041296 /nfs/dbraw/zinc/04/12/96/177041296.db2.gz VNIGZCXSGOHMNL-SNVBAGLBSA-N 1 0 298.180 2.492 10 0 CEAERO COc1cccc(N(CCC(C)C)C(=O)C[NH3+])c1 ZINC000076654898 177044982 /nfs/dbraw/zinc/04/49/82/177044982.db2.gz YFRSTGZSBKEEFI-UHFFFAOYSA-N 1 0 250.342 2.033 10 0 CEAERO CCN(CC)C(=O)[C@H](CC[NH3+])c1ccc(F)cc1 ZINC000076656593 177045845 /nfs/dbraw/zinc/04/58/45/177045845.db2.gz RUQHPQQJXTZHEV-CYBMUJFWSA-N 1 0 252.333 2.127 10 0 CEAERO CC[C@H](C)NC(=O)[C@@H](CC[NH3+])c1ccccc1F ZINC000076656553 177045880 /nfs/dbraw/zinc/04/58/80/177045880.db2.gz SPSXPMXCLHRRSN-JQWIXIFHSA-N 1 0 252.333 2.173 10 0 CEAERO CC(C)CNC(=O)[C@@H](CC[NH3+])c1ccc(F)cc1 ZINC000076656541 177045936 /nfs/dbraw/zinc/04/59/36/177045936.db2.gz MLIZDTDCLTTYRD-ZDUSSCGKSA-N 1 0 252.333 2.030 10 0 CEAERO CC(C)CCN(Cc1ccc(F)cc1)C(=O)C[NH3+] ZINC000076656763 177046128 /nfs/dbraw/zinc/04/61/28/177046128.db2.gz LDXMCKCQVJUIRL-UHFFFAOYSA-N 1 0 252.333 2.159 10 0 CEAERO CC(C)(C)NC(=O)CC[C@H](C[NH3+])c1cccs1 ZINC000076658576 177047639 /nfs/dbraw/zinc/04/76/39/177047639.db2.gz LYBJGTHERFBZRW-SNVBAGLBSA-N 1 0 254.399 2.485 10 0 CEAERO COc1cccc(OC[C@H](C[NH3+])c2cccnc2)c1 ZINC000076666171 177051171 /nfs/dbraw/zinc/05/11/71/177051171.db2.gz LRRJONAQHPYIKX-ZDUSSCGKSA-N 1 0 258.321 2.212 10 0 CEAERO [NH3+]CCN(Cc1cccnc1)Cc1ccccc1F ZINC000076668721 177052552 /nfs/dbraw/zinc/05/25/52/177052552.db2.gz XFWBYMYJYAGERC-UHFFFAOYSA-N 1 0 259.328 2.182 10 0 CEAERO Cc1ccc([C@H](CCC[NH3+])C(=O)NC2CC2)c(C)c1 ZINC000076671116 177053798 /nfs/dbraw/zinc/05/37/98/177053798.db2.gz YNMNARUZRNCZCS-HNNXBMFYSA-N 1 0 260.381 2.405 10 0 CEAERO CC(C)(C)OC(=O)N1CCC2(CC1)[C@H]([NH3+])C2(C)C ZINC000076695640 177060527 /nfs/dbraw/zinc/06/05/27/177060527.db2.gz DBEUXXNTYCKSDS-SNVBAGLBSA-N 1 0 254.374 2.371 10 0 CEAERO C[NH2+]Cc1cn2cc(C)cc(Br)c2n1 ZINC000076792230 177097179 /nfs/dbraw/zinc/09/71/79/177097179.db2.gz VVADRXRWUXJJEZ-UHFFFAOYSA-N 1 0 254.131 2.125 10 0 CEAERO COc1c(C)cc(CCN(C)CC[NH3+])c(C)c1C ZINC000077432374 177268075 /nfs/dbraw/zinc/26/80/75/177268075.db2.gz NWPKTRBJLMFILY-UHFFFAOYSA-N 1 0 250.386 2.053 10 0 CEAERO C[NH2+]CC[C@@H](O)CN(C)c1c(C)cc(C)cc1C ZINC000077432365 177268481 /nfs/dbraw/zinc/26/84/81/177268481.db2.gz QAQQQBHQRCKGME-CQSZACIVSA-N 1 0 250.386 2.018 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC000078516203 177349094 /nfs/dbraw/zinc/34/90/94/177349094.db2.gz SLRXYEDUQIFFMQ-SWLSCSKDSA-N 1 0 266.360 2.197 10 0 CEAERO C[C@H](CC[NH3+])CCC(=O)Nc1cccc2n[nH]cc21 ZINC000079118159 177436281 /nfs/dbraw/zinc/43/62/81/177436281.db2.gz RFFNSPDHPXEKPH-JTQLQIEISA-N 1 0 260.341 2.267 10 0 CEAERO C[C@@H](CC[NH3+])CCC(=O)NCCCOCc1ccco1 ZINC000079191598 177441981 /nfs/dbraw/zinc/44/19/81/177441981.db2.gz MPGAINPEZSFWNY-CYBMUJFWSA-N 1 0 282.384 2.068 10 0 CEAERO CC[C@@H](C)N(CCOC)C(=O)CC[C@@H](CC)CC[NH3+] ZINC000079212570 177448159 /nfs/dbraw/zinc/44/81/59/177448159.db2.gz FVEAVZBBDZJPEZ-ZIAGYGMSSA-N 1 0 272.433 2.415 10 0 CEAERO CC[C@@H](CC[NH3+])CCC(=O)NC1(CO)CCC(C)CC1 ZINC000079212985 177448200 /nfs/dbraw/zinc/44/82/00/177448200.db2.gz FULNKUINYQLCSJ-NPCAHTBFSA-N 1 0 284.444 2.199 10 0 CEAERO CC(C)[C@@H](CC[NH3+])CCc1nc(C[C@H]2CCCO2)no1 ZINC000079253424 177458482 /nfs/dbraw/zinc/45/84/82/177458482.db2.gz PIAXFIIHKXEACB-CHWSQXEVSA-N 1 0 281.400 2.345 10 0 CEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(C)[C@H](C)C1CC1 ZINC000079253493 177458674 /nfs/dbraw/zinc/45/86/74/177458674.db2.gz HVAPGXYHJZOOMA-NWDGAFQWSA-N 1 0 255.406 2.157 10 0 CEAERO CC(C)[C@H](CC[NH3+])CCC(=O)NCC(F)(F)F ZINC000079254528 177459575 /nfs/dbraw/zinc/45/95/75/177459575.db2.gz XCAROHKORCFZEX-VIFPVBQESA-N 1 0 254.296 2.066 10 0 CEAERO CCC[C@H]1CCCN(S(=O)(=O)CC[NH2+]C(C)C)CC1 ZINC000079358252 177471843 /nfs/dbraw/zinc/47/18/43/177471843.db2.gz VGYPCASISDDJSG-AWEZNQCLSA-N 1 0 290.473 2.216 10 0 CEAERO CN[C@@H](CC[N@@H+]1CCC[C@@H](C(C)(C)C)CC1)C(=O)OC ZINC000079368629 177474070 /nfs/dbraw/zinc/47/40/70/177474070.db2.gz AXNVWAAYMSQESD-KGLIPLIRSA-N 1 0 284.444 2.286 10 0 CEAERO Cc1nn(C(C)C)c(C)c1NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079516328 177512573 /nfs/dbraw/zinc/51/25/73/177512573.db2.gz MHFMLAIJTGLAJU-CQSZACIVSA-N 1 0 264.373 2.161 10 0 CEAERO C[C@@]1(C(=O)N(Cc2ccccc2F)C2CC2)CCC[NH2+]1 ZINC000079516646 177512772 /nfs/dbraw/zinc/51/27/72/177512772.db2.gz QKZNAGWFBDDTOI-INIZCTEOSA-N 1 0 276.355 2.459 10 0 CEAERO C[C@H](NC(=O)[C@]1(C)CCC[NH2+]1)c1ccc(F)cc1 ZINC000079519459 177513792 /nfs/dbraw/zinc/51/37/92/177513792.db2.gz UEMZMKPMEYKGAA-HZMBPMFUSA-N 1 0 250.317 2.145 10 0 CEAERO C[C@H](NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+])c1ccccc1 ZINC000079522577 177514970 /nfs/dbraw/zinc/51/49/70/177514970.db2.gz BDVPCZFNQIGHAB-PMTDCRIQSA-N 1 0 258.365 2.237 10 0 CEAERO COc1ccc(OC)c(NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])c1 ZINC000079522968 177515585 /nfs/dbraw/zinc/51/55/85/177515585.db2.gz PMIXDTPYUVZWLY-MMDVMMEASA-N 1 0 290.363 2.016 10 0 CEAERO C[C@H](CCc1ccco1)NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+] ZINC000079532431 177516947 /nfs/dbraw/zinc/51/69/47/177516947.db2.gz IVCYKOOUNRIALK-MUGBGTHKSA-N 1 0 276.380 2.090 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+])C1CCCCC1 ZINC000079534832 177517636 /nfs/dbraw/zinc/51/76/36/177517636.db2.gz LPGWRJQCGDLZEJ-LFHLZQBKSA-N 1 0 264.413 2.445 10 0 CEAERO CC1(C)[C@@H]2CC[C@@]1(C)[C@H]([NH2+]C[C@@H]1CCC(=O)N1)C2 ZINC000079926065 177580942 /nfs/dbraw/zinc/58/09/42/177580942.db2.gz SMLRSULIKHYKCJ-ZAZJYDDPSA-N 1 0 250.386 2.069 10 0 CEAERO C[C@]1([NH2+][C@H]2CCCC(C)(C)C2)CCS(=O)(=O)C1 ZINC000079973758 177590872 /nfs/dbraw/zinc/59/08/72/177590872.db2.gz KCYKNRSKXJGQMC-AAEUAGOBSA-N 1 0 259.415 2.122 10 0 CEAERO CCc1cc(N(C)CC[C@H]([NH3+])C(C)C)nc(C)n1 ZINC000133623754 419432651 /nfs/dbraw/zinc/43/26/51/419432651.db2.gz DGRDUKMVZTZGGI-ZDUSSCGKSA-N 1 0 250.390 2.157 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)Nc1cccc(-n2cccn2)c1 ZINC000136321088 419443315 /nfs/dbraw/zinc/44/33/15/419443315.db2.gz JJVFCUKNCGFYHL-CQSZACIVSA-N 1 0 272.352 2.184 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)NCCCN(C)c1ccccc1 ZINC000136295654 419444963 /nfs/dbraw/zinc/44/49/63/419444963.db2.gz GJEDQZIMFCOYHU-HNNXBMFYSA-N 1 0 277.412 2.003 10 0 CEAERO COCc1cccc(NC(=O)C[C@H]([NH3+])C(C)C)c1 ZINC000136322658 419445565 /nfs/dbraw/zinc/44/55/65/419445565.db2.gz SNNPJZPWMGXIEZ-ZDUSSCGKSA-N 1 0 250.342 2.145 10 0 CEAERO COc1ccc([C@H](C)NC(=O)C[C@H]([NH3+])C(C)C)cc1 ZINC000136481062 419446440 /nfs/dbraw/zinc/44/64/40/419446440.db2.gz SSBGEPKQNIIEKY-FZMZJTMJSA-N 1 0 264.369 2.246 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)NCC(C)(C)c1ccccc1 ZINC000136410348 419446916 /nfs/dbraw/zinc/44/69/16/419446916.db2.gz YFRHOTMUSFHGPA-CQSZACIVSA-N 1 0 262.397 2.454 10 0 CEAERO COc1ccc(CN(C)C(=O)C[C@@H]([NH3+])C(C)C)cc1 ZINC000136373139 419447026 /nfs/dbraw/zinc/44/70/26/419447026.db2.gz LSOYLVROYWEKET-CQSZACIVSA-N 1 0 264.369 2.027 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H](C)CCc1ccccc1 ZINC000136437620 419448501 /nfs/dbraw/zinc/44/85/01/419448501.db2.gz HTMOVCBTIDOMLF-ZFWWWQNUSA-N 1 0 262.397 2.497 10 0 CEAERO O=C(OCc1ccccc1)N1CCCC[C@]12CC[NH2+]2 ZINC000091690566 260164135 /nfs/dbraw/zinc/16/41/35/260164135.db2.gz JTHXZOVAPIXADZ-OAHLLOKOSA-N 1 0 260.337 2.499 10 0 CEAERO C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000189092590 262167399 /nfs/dbraw/zinc/16/73/99/262167399.db2.gz HJYOXKTXTRBUBA-GXTWGEPZSA-N 1 0 282.428 2.181 10 0 CEAERO COC[C@@H](C)C[NH2+]C(C)(C)CNC(=O)OC(C)(C)C ZINC000188463044 262297911 /nfs/dbraw/zinc/29/79/11/262297911.db2.gz BPKQQDSXZUOLND-NSHDSACASA-N 1 0 274.405 2.162 10 0 CEAERO CCN(CCC[NH+]1CCCC1)C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000190128148 270266846 /nfs/dbraw/zinc/26/68/46/270266846.db2.gz DSUYGIHKSYRBHM-HUUCEWRRSA-N 1 0 297.443 2.071 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)c2ccc(F)cc2)C1 ZINC000194170096 270293583 /nfs/dbraw/zinc/29/35/83/270293583.db2.gz FRXQLKQGPITULV-ZDUSSCGKSA-N 1 0 279.359 2.456 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000194310831 270295893 /nfs/dbraw/zinc/29/58/93/270295893.db2.gz FNYRKSALSWHLPD-GFCCVEGCSA-N 1 0 291.351 2.021 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)Cc2ccc(C)o2)C1 ZINC000194288867 270295926 /nfs/dbraw/zinc/29/59/26/270295926.db2.gz GLQOXBGQAFEHKF-ZDUSSCGKSA-N 1 0 279.384 2.214 10 0 CEAERO CCCCOC[C@@H](O)Cn1c(C)[nH+]c2c1CCCC2 ZINC000227908759 270311921 /nfs/dbraw/zinc/31/19/21/270311921.db2.gz KSKWMQLAQKQXIM-ZDUSSCGKSA-N 1 0 266.385 2.248 10 0 CEAERO C[NH2+][C@@H](C)CNCc1csc(Br)c1 ZINC000398011307 270355564 /nfs/dbraw/zinc/35/55/64/270355564.db2.gz SSZDIPDXWFCDIU-ZETCQYMHSA-N 1 0 263.204 2.208 10 0 CEAERO C[C@H](NC(=O)[C@@H]([NH3+])C1CCC1)c1ccc(F)cc1F ZINC000398966827 270365085 /nfs/dbraw/zinc/36/50/85/270365085.db2.gz RSZOKINVRHZIAX-SDBXPKJASA-N 1 0 268.307 2.269 10 0 CEAERO C[C@H]1CC[C@@H](O)C[N@@H+]1CCCCC1CCOCC1 ZINC000399168291 270366627 /nfs/dbraw/zinc/36/66/27/270366627.db2.gz MYYRMPYHBFZJRV-DZGCQCFKSA-N 1 0 255.402 2.429 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@H]([NH3+])C2CCC2)cc1F ZINC000399226586 270368071 /nfs/dbraw/zinc/36/80/71/270368071.db2.gz NFLGORKTYXZJKE-IINYFYTJSA-N 1 0 264.344 2.439 10 0 CEAERO COC(=O)c1cccnc1C[N@@H+]1C[C@H](C)[C@H](C)[C@H]1C ZINC000399618895 270370740 /nfs/dbraw/zinc/37/07/40/270370740.db2.gz RCPGOSQSZZOTHD-SDDRHHMPSA-N 1 0 262.353 2.345 10 0 CEAERO C[C@@H]1CN(c2ccnc(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000261590713 274365903 /nfs/dbraw/zinc/36/59/03/274365903.db2.gz XDZSNBFQDUSWKR-PSASIEDQSA-N 1 0 259.275 2.274 10 0 CEAERO C[C@@H]1CN(c2cncc(Br)c2)CC[C@@H]1[NH3+] ZINC000261536444 274367010 /nfs/dbraw/zinc/36/70/10/274367010.db2.gz RSURMPLYISPCQH-KCJUWKMLSA-N 1 0 270.174 2.018 10 0 CEAERO Cc1cc(N2CC[C@H]([NH3+])[C@@H](C)C2)ncc1Br ZINC000228898806 274711001 /nfs/dbraw/zinc/71/10/01/274711001.db2.gz MBDAYSOVRHGECW-ONGXEEELSA-N 1 0 284.201 2.326 10 0 CEAERO Cc1ccc([C@@H]2CCCCN2C(=O)C[NH+](C)C)o1 ZINC000173750224 274757852 /nfs/dbraw/zinc/75/78/52/274757852.db2.gz NCABZGNSUTXDOE-LBPRGKRZSA-N 1 0 250.342 2.203 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]2CN(c3ccc(Cl)cn3)C[C@@H]21 ZINC000230133267 274958242 /nfs/dbraw/zinc/95/82/42/274958242.db2.gz KAQLMQHYJKKCJU-ZMLRMANQSA-N 1 0 251.761 2.299 10 0 CEAERO O[C@@H]1CCCN(C[C@@H]2CCC[NH2+]C2)c2ccc(F)cc21 ZINC000262044247 275053382 /nfs/dbraw/zinc/05/33/82/275053382.db2.gz YTTXRWIXIZVXPF-MLGOLLRUSA-N 1 0 278.371 2.459 10 0 CEAERO CCC[C@]1(C)CCCN(C(=O)[C@@H]([NH3+])C2CCOCC2)C1 ZINC000261619982 276293174 /nfs/dbraw/zinc/29/31/74/276293174.db2.gz CDDDQMCTLNEOAG-GOEBONIOSA-N 1 0 282.428 2.169 10 0 CEAERO C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CCCC3(CC3)C2)C1 ZINC000335679506 276796330 /nfs/dbraw/zinc/79/63/30/276796330.db2.gz XFZGNMIWKIHCMA-OLZOCXBDSA-N 1 0 265.401 2.055 10 0 CEAERO CN(C)c1ncc2c(n1)CCC[C@H]2[NH2+]Cc1ccncc1 ZINC000012320896 276901479 /nfs/dbraw/zinc/90/14/79/276901479.db2.gz GYTTXKBOSSIVRN-CQSZACIVSA-N 1 0 283.379 2.105 10 0 CEAERO CN(CC[NH3+])c1ncc(C(F)(F)F)cc1Cl ZINC000053663541 276942633 /nfs/dbraw/zinc/94/26/33/276942633.db2.gz OHFMHTVZUHUOEB-UHFFFAOYSA-N 1 0 253.655 2.149 10 0 CEAERO CC(C)(C)OCC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000252715146 277214852 /nfs/dbraw/zinc/21/48/52/277214852.db2.gz UTYYXGGSROHLDB-DZGCQCFKSA-N 1 0 255.402 2.429 10 0 CEAERO CN1c2ccccc2[C@@H]([NH2+][C@H]2CCSC2)CC1=O ZINC000222144343 277218440 /nfs/dbraw/zinc/21/84/40/277218440.db2.gz REEIYJODKBKYLC-JQWIXIFHSA-N 1 0 262.378 2.189 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)C[C@H]1CCCc2cc(OC)ccc21 ZINC000261615290 277292438 /nfs/dbraw/zinc/29/24/38/277292438.db2.gz APZVGIPKGMTBKD-GXTWGEPZSA-N 1 0 290.407 2.229 10 0 CEAERO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)C[C@H]1[NH3+] ZINC000261571446 287968755 /nfs/dbraw/zinc/96/87/55/287968755.db2.gz RBPQXLCKHDTWJF-CHWFTXMASA-N 1 0 278.318 2.161 10 0 CEAERO C[C@@H]1CCC[C@@H](CNC(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000227694679 277706397 /nfs/dbraw/zinc/70/63/97/277706397.db2.gz LQJPWZZJVWPVOS-UMVBOHGHSA-N 1 0 252.402 2.461 10 0 CEAERO C[C@@H]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000089460420 277723616 /nfs/dbraw/zinc/72/36/16/277723616.db2.gz YLQOSCAZGMQTMX-YIYPIFLZSA-N 1 0 252.402 2.399 10 0 CEAERO C[C@@H]1CCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)[C@@H](C[NH3+])C1 ZINC000261551938 277746182 /nfs/dbraw/zinc/74/61/82/277746182.db2.gz YVYJEDAPWLITLJ-POQQGIQPSA-N 1 0 250.386 2.008 10 0 CEAERO COc1ccc(Br)cc1CN1CC[C@@H]([NH3+])[C@@H]1C ZINC000261559797 277869983 /nfs/dbraw/zinc/86/99/83/277869983.db2.gz UBVPKSXRQOEBRB-JOYOIKCWSA-N 1 0 299.212 2.379 10 0 CEAERO CC(C)n1ncc2cc(CN3C[C@@H](C)[NH2+]C[C@H]3C)cnc21 ZINC000261997060 278149419 /nfs/dbraw/zinc/14/94/19/278149419.db2.gz KUYCZHJIPIPXNB-CHWSQXEVSA-N 1 0 287.411 2.194 10 0 CEAERO CC1(C)Cc2occc2[C@@H]([NH2+][C@@H]2CCc3ncnn3C2)C1 ZINC000180601122 278399501 /nfs/dbraw/zinc/39/95/01/278399501.db2.gz XHGTZWKCFURLOO-YPMHNXCESA-N 1 0 286.379 2.489 10 0 CEAERO C[C@H]1CN(C(=O)c2cc3c(s2)CCCCC3)C[C@H]1[NH3+] ZINC000235686824 278411811 /nfs/dbraw/zinc/41/18/11/278411811.db2.gz PKHSEWZPRIJCQD-CMPLNLGQSA-N 1 0 278.421 2.436 10 0 CEAERO CC1(C)[C@H](C(F)(F)F)CCN1C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000261573921 278436336 /nfs/dbraw/zinc/43/63/36/278436336.db2.gz WFZZFWZTGCUULT-LPEHRKFASA-N 1 0 278.318 2.303 10 0 CEAERO C[C@@H]1CC[C@H](C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)O1 ZINC000246113722 278592892 /nfs/dbraw/zinc/59/28/92/278592892.db2.gz XUHGSXBCPNPVFE-KCPJHIHWSA-N 1 0 294.370 2.112 10 0 CEAERO C[C@@H]1CN(c2ncccc2Br)C[C@@H]1[NH+](C)C ZINC000125006491 278816358 /nfs/dbraw/zinc/81/63/58/278816358.db2.gz UTKPAKGBLSALNS-KOLCDFICSA-N 1 0 284.201 2.230 10 0 CEAERO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@@H]1CN(C)CCO1 ZINC000180495647 278880632 /nfs/dbraw/zinc/88/06/32/278880632.db2.gz CCNLBRBOQNWMMC-GDBMZVCRSA-N 1 0 290.407 2.129 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+][C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC000263524102 279060301 /nfs/dbraw/zinc/06/03/01/279060301.db2.gz SMDSJUHKIRHQJK-UMIUCAKVSA-N 1 0 282.428 2.338 10 0 CEAERO C[C@@H]1[C@@H]([NH2+]Cc2ncc[nH]2)CCCN1C(=O)OC(C)(C)C ZINC000189524617 279093280 /nfs/dbraw/zinc/09/32/80/279093280.db2.gz POIBLCPLQOIWSS-NEPJUHHUSA-N 1 0 294.399 2.287 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000246149721 279299284 /nfs/dbraw/zinc/29/92/84/279299284.db2.gz QFIWUNJSIDHIPT-UONOGXRCSA-N 1 0 297.443 2.070 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)N(CC(C)C)C1CC1 ZINC000177710238 279300952 /nfs/dbraw/zinc/30/09/52/279300952.db2.gz IKLDVDVRERSUQI-MRXNPFEDSA-N 1 0 295.471 2.050 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000175361598 279301198 /nfs/dbraw/zinc/30/11/98/279301198.db2.gz DELMPPCBUJBNRK-ARFHVFGLSA-N 1 0 295.471 2.097 10 0 CEAERO C[C@H](C[C@@H]1COCCN1)[NH2+][C@H]1CCc2ccccc21 ZINC000252961339 279370029 /nfs/dbraw/zinc/37/00/29/279370029.db2.gz OALVGAWHANEDKQ-XPKDYRNWSA-N 1 0 260.381 2.031 10 0 CEAERO C[C@H](Cc1ccsc1)NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000070577818 279660221 /nfs/dbraw/zinc/66/02/21/279660221.db2.gz HFSJEHBXJWJTPI-WXHSDQCUSA-N 1 0 266.410 2.313 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCCO2)C12CCOCC2 ZINC000186380114 279872602 /nfs/dbraw/zinc/87/26/02/279872602.db2.gz NPKNDIWIQBNXAR-ZNMIVQPWSA-N 1 0 283.412 2.119 10 0 CEAERO C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C[C@@H](C)C1 ZINC000252100456 280005856 /nfs/dbraw/zinc/00/58/56/280005856.db2.gz IIDKXYQOKZOXRK-XHJNMGKDSA-N 1 0 252.402 2.302 10 0 CEAERO CC[C@H](C(N)=O)[N@@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000134840163 280031470 /nfs/dbraw/zinc/03/14/70/280031470.db2.gz DQUZFSMPZDIRLJ-ZIAGYGMSSA-N 1 0 292.354 2.127 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCSC2)C12CCOCC2 ZINC000186373698 280128568 /nfs/dbraw/zinc/12/85/68/280128568.db2.gz KJDPFSZOICTRCA-HZSPNIEDSA-N 1 0 285.453 2.446 10 0 CEAERO CCO[C@H]1C[C@H]([NH2+]CCc2cscn2)C12CCOCC2 ZINC000186390744 280129060 /nfs/dbraw/zinc/12/90/60/280129060.db2.gz NZXXRTOFYPLGSA-KBPBESRZSA-N 1 0 296.436 2.249 10 0 CEAERO CCc1ccccc1C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000226456387 280214787 /nfs/dbraw/zinc/21/47/87/280214787.db2.gz 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CCCC1CC[NH+]([C@@H](C)C[C@](C)(NC)C(=O)OC)CC1 ZINC000068641813 519902480 /nfs/dbraw/zinc/90/24/80/519902480.db2.gz OAZQCOUKPUZCFJ-BBRMVZONSA-N 1 0 284.444 2.428 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1ccc(F)c(NC(C)=O)c1 ZINC000061293453 519906391 /nfs/dbraw/zinc/90/63/91/519906391.db2.gz CRWGVAJEJIHKKO-UHFFFAOYSA-N 1 0 281.331 2.111 10 0 CEAERO CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1cc(C)on1 ZINC000054602535 519909926 /nfs/dbraw/zinc/90/99/26/519909926.db2.gz DELCWSDUBBINML-LQDVMPOASA-N 1 0 263.385 2.478 10 0 CEAERO CCC[NH2+]C[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC000052417268 519920495 /nfs/dbraw/zinc/92/04/95/519920495.db2.gz IXWXYTJYTSRMGZ-OAHLLOKOSA-N 1 0 261.413 2.197 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N(Cc1ccccc1)C1CC1 ZINC000061229934 519933562 /nfs/dbraw/zinc/93/35/62/519933562.db2.gz CAXIBYBVAFPQSX-CYBMUJFWSA-N 1 0 260.381 2.423 10 0 CEAERO CCC[NH2+]Cc1c(C)nn([C@H]2CCC[C@@H]2O)c1C ZINC000054599504 519942659 /nfs/dbraw/zinc/94/26/59/519942659.db2.gz RVQPDYKRPJADPA-KBPBESRZSA-N 1 0 251.374 2.085 10 0 CEAERO CCC[NH2+]Cc1ccnc(N(CC)[C@H](C)COC)c1 ZINC000051480356 519958193 /nfs/dbraw/zinc/95/81/93/519958193.db2.gz BEXHDRLNLGJDKU-CYBMUJFWSA-N 1 0 265.401 2.442 10 0 CEAERO CCC[NH2+]Cc1cnn([C@@H]2CCCC[C@H]2O)c1C ZINC000054600039 519964080 /nfs/dbraw/zinc/96/40/80/519964080.db2.gz QNFATJYQOASRJD-ZIAGYGMSSA-N 1 0 251.374 2.167 10 0 CEAERO CCC[NH2+]Cc1sc(N2CCOC[C@H]2C)nc1C ZINC000054997327 519975972 /nfs/dbraw/zinc/97/59/72/519975972.db2.gz HZVXDITVPSTFBS-SNVBAGLBSA-N 1 0 269.414 2.176 10 0 CEAERO CC[NH2+]Cc1cc(Cl)ccc1O[C@H](CC)C(N)=O ZINC000061675737 519989736 /nfs/dbraw/zinc/98/97/36/519989736.db2.gz ZKYXSIWMRBZSQQ-LLVKDONJSA-N 1 0 270.760 2.092 10 0 CEAERO CCC[NH2+][C@@H](CC[N@@H+]1CCCC[C@@H]1CC)C(=O)[O-] ZINC000062446142 519997719 /nfs/dbraw/zinc/99/77/19/519997719.db2.gz HBWFIAWIRXMYQF-STQMWFEESA-N 1 0 256.390 2.094 10 0 CEAERO CCCN[C@@H](CC[N@H+](CC1CC1)C(C)C)C(=O)OCC ZINC000062525662 519999464 /nfs/dbraw/zinc/99/94/64/519999464.db2.gz FVNTWNIQXWCRJD-HNNXBMFYSA-N 1 0 284.444 2.428 10 0 CEAERO CC[NH2+]Cc1cnn(Cc2ccc(F)cc2F)c1 ZINC000054719342 520017118 /nfs/dbraw/zinc/01/71/18/520017118.db2.gz ITNRTPAJOHZDOJ-UHFFFAOYSA-N 1 0 251.280 2.319 10 0 CEAERO CC[NH2+]Cc1sc(N(C)[C@H](C)COC)nc1C ZINC000054998802 520032644 /nfs/dbraw/zinc/03/26/44/520032644.db2.gz JHYWKCBSUOSJQD-SECBINFHSA-N 1 0 257.403 2.032 10 0 CEAERO CCC[NH2+][C@H]1CCc2c1cccc2OCC(=O)OC ZINC000062799997 520098464 /nfs/dbraw/zinc/09/84/64/520098464.db2.gz JXGIWNYKTJHKHJ-ZDUSSCGKSA-N 1 0 263.337 2.225 10 0 CEAERO CCOC[C@@H](O)C[NH2+][C@H](c1cccs1)C(C)C ZINC000069278135 520102997 /nfs/dbraw/zinc/10/29/97/520102997.db2.gz HLAACXJXQAXTTH-AAEUAGOBSA-N 1 0 257.399 2.432 10 0 CEAERO CCCN[C@](C)(C[N@@H+]1CCCC(C)(C)C1)C(=O)OC ZINC000069516721 520107087 /nfs/dbraw/zinc/10/70/87/520107087.db2.gz WPTQCOZNZNHLFX-OAHLLOKOSA-N 1 0 270.417 2.040 10 0 CEAERO CCCNc1cc(C(=O)NC[C@H](C)[NH+](C)C)cc(Cl)n1 ZINC000050779996 520130848 /nfs/dbraw/zinc/13/08/48/520130848.db2.gz HEJBGCLWISDSQD-JTQLQIEISA-N 1 0 298.818 2.237 10 0 CEAERO CC[NH2+][C@H](CC[NH+]1CCC2(CCCCC2)CC1)C(=O)[O-] ZINC000062532860 520190193 /nfs/dbraw/zinc/19/01/93/520190193.db2.gz YVZLWIGHQMYWCR-CQSZACIVSA-N 1 0 282.428 2.486 10 0 CEAERO CCCCCNC(=O)[C@H](C)[NH2+][C@@H](C)CN1CCCCC1 ZINC000049501560 520218701 /nfs/dbraw/zinc/21/87/01/520218701.db2.gz NGNCTXQWBCEUSW-GJZGRUSLSA-N 1 0 283.460 2.145 10 0 CEAERO CCN(CC(F)(F)F)C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055137036 520413925 /nfs/dbraw/zinc/41/39/25/520413925.db2.gz YHGAXYSEOIEWBN-UWVGGRQHSA-N 1 0 266.307 2.305 10 0 CEAERO CCCC[N@H+](C[C@@H](NC(C)C)C(=O)OC)[C@@H](C)CC ZINC000045429999 520541974 /nfs/dbraw/zinc/54/19/74/520541974.db2.gz MMLMNNCZKGCNHO-UONOGXRCSA-N 1 0 272.433 2.427 10 0 CEAERO CCOC(=O)N1CCC([NH2+]C[C@H](C)CSC)CC1 ZINC000069437211 520930621 /nfs/dbraw/zinc/93/06/21/520930621.db2.gz DXZYYIXEKIHKMC-NSHDSACASA-N 1 0 274.430 2.196 10 0 CEAERO CC[NH+](CC)c1ccc(NCCCC(=O)NC)cc1 ZINC000068818257 520918791 /nfs/dbraw/zinc/91/87/91/520918791.db2.gz NSGFZAUIVRKPCV-UHFFFAOYSA-N 1 0 263.385 2.471 10 0 CEAERO CCN(CCC[NH3+])C(=O)c1ccc2ncccc2c1 ZINC000061410285 521011403 /nfs/dbraw/zinc/01/14/03/521011403.db2.gz KQJANSLLZJEBHF-UHFFFAOYSA-N 1 0 257.337 2.046 10 0 CEAERO CCCC[C@@H](C)[NH2+][C@@H]1CC(=O)N(C2CCCC2)C1=O ZINC000050888007 521012203 /nfs/dbraw/zinc/01/22/03/521012203.db2.gz ROTKLAZVDSKPCF-DGCLKSJQSA-N 1 0 266.385 2.225 10 0 CEAERO CCOC(=O)[C@@](C)(C[C@@H](C)[N@H+](C)CC1CC1)NC(C)C ZINC000068627716 521147025 /nfs/dbraw/zinc/14/70/25/521147025.db2.gz MBANTJAGDYKAAP-CZUORRHYSA-N 1 0 284.444 2.427 10 0 CEAERO CCOC(=O)[C@H](CC[N@H+](C)C[C@@H](C)CC)NC(C)C ZINC000062447642 521241431 /nfs/dbraw/zinc/24/14/31/521241431.db2.gz ZHZUDTLXCIZXCZ-KBPBESRZSA-N 1 0 272.433 2.284 10 0 CEAERO CCOC(=O)[C@H](CC[N@H+](C)[C@@H](C)CC(C)C)NC1CC1 ZINC000062524112 521242819 /nfs/dbraw/zinc/24/28/19/521242819.db2.gz VJIMHCJMFCLIHO-ZFWWWQNUSA-N 1 0 284.444 2.427 10 0 CEAERO CCOC(=O)[C@H](CC[N@H+](C)[C@@H](C)C(C)C)NC1CC1 ZINC000062449049 521242985 /nfs/dbraw/zinc/24/29/85/521242985.db2.gz ZLFORONVCBEREB-JSGCOSHPSA-N 1 0 270.417 2.037 10 0 CEAERO CCCc1nc(N(CCOC)C2CC2)sc1C[NH3+] ZINC000055000263 521531005 /nfs/dbraw/zinc/53/10/05/521531005.db2.gz DZHFVORANBDKOR-UHFFFAOYSA-N 1 0 269.414 2.170 10 0 CEAERO CCC(CC)[N@H+](C)C[C@@](NC1CC1)(C(=O)OC)C1CC1 ZINC000069099442 521542461 /nfs/dbraw/zinc/54/24/61/521542461.db2.gz UTDIXBSVTIJQTE-INIZCTEOSA-N 1 0 282.428 2.181 10 0 CEAERO CCCN(CC(F)(F)F)CC1(C[NH3+])CCOCC1 ZINC000052182290 521586135 /nfs/dbraw/zinc/58/61/35/521586135.db2.gz SBUFUNXQDIIEHE-UHFFFAOYSA-N 1 0 268.323 2.016 10 0 CEAERO CCC(CC)[C@@H](CNC(=O)c1sc(N)nc1C)[NH+](C)C ZINC000055175265 521604109 /nfs/dbraw/zinc/60/41/09/521604109.db2.gz XCDOCDFNOMRGIL-LLVKDONJSA-N 1 0 298.456 2.130 10 0 CEAERO CCC[N@H+](CC)C[C@@](NC(C)C)(C(=O)OC)C1CC1 ZINC000069098090 521612510 /nfs/dbraw/zinc/61/25/10/521612510.db2.gz ZNSUQZSIBPVFTQ-HNNXBMFYSA-N 1 0 270.417 2.038 10 0 CEAERO CCCN(CC[NH2+]C)Cc1cc(C)ccc1OC ZINC000050705042 521661660 /nfs/dbraw/zinc/66/16/60/521661660.db2.gz RCDBJSAOROHSKB-UHFFFAOYSA-N 1 0 250.386 2.435 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N[C@H](C)c1ccc(OC)c(F)c1 ZINC000061316233 521938922 /nfs/dbraw/zinc/93/89/22/521938922.db2.gz OHBRGNADMWAMJB-SECBINFHSA-N 1 0 268.332 2.010 10 0 CEAERO CC[C@@H](C)C[N@H+](C)Cc1cccnc1C(N)=S ZINC000061659713 521969403 /nfs/dbraw/zinc/96/94/03/521969403.db2.gz DCVYJYKPMIJDMP-SNVBAGLBSA-N 1 0 251.399 2.194 10 0 CEAERO CC[C@@H](C)[N@H+](CC)C[C@](NC1CC1)(C(=O)OC)C1CC1 ZINC000069097531 522084506 /nfs/dbraw/zinc/08/45/06/522084506.db2.gz ALYWDXLLHOGPSM-MLGOLLRUSA-N 1 0 282.428 2.181 10 0 CEAERO C[NH2+]Cc1nnc(-c2ccc(OC(F)F)cc2)o1 ZINC000050615324 522155311 /nfs/dbraw/zinc/15/53/11/522155311.db2.gz HSVGMHDXVSZTOM-UHFFFAOYSA-N 1 0 255.224 2.057 10 0 CEAERO C[NH2+][C@H](CS(C)(=O)=O)c1ccc(CC(C)C)cc1 ZINC000054930248 522470282 /nfs/dbraw/zinc/47/02/82/522470282.db2.gz GYYNDEKZQKAAOL-CQSZACIVSA-N 1 0 269.410 2.190 10 0 CEAERO C[C@@H](OCc1ccccc1)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000404490429 533910633 /nfs/dbraw/zinc/91/06/33/533910633.db2.gz AKWUWUNHWMFSGX-CZUORRHYSA-N 1 0 290.407 2.225 10 0 CEAERO C[C@H]1C[N@H+](CC2(O)CCC2)CCN1Cc1ccccc1 ZINC000411118451 533919212 /nfs/dbraw/zinc/91/92/12/533919212.db2.gz XJEKBCQPZVPZPI-HNNXBMFYSA-N 1 0 274.408 2.108 10 0 CEAERO CC[C@H]1CN(c2nnc(Cl)c(C)c2C)CC[N@@H+]1C ZINC000104360414 536162089 /nfs/dbraw/zinc/16/20/89/536162089.db2.gz WBNMQAYOBNYGRK-NSHDSACASA-N 1 0 268.792 2.277 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1NC(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000063171960 518197690 /nfs/dbraw/zinc/19/76/90/518197690.db2.gz XEZUOXIMOJDMHG-MNOVXSKESA-N 1 0 290.260 2.454 10 0 CEAERO Brc1ccc(-c2nnc(CC[NH2+]C3CC3)o2)o1 ZINC000050620496 518209987 /nfs/dbraw/zinc/20/99/87/518209987.db2.gz YTQBYNDYQJETFU-UHFFFAOYSA-N 1 0 298.140 2.387 10 0 CEAERO Brc1cccc(OCC[NH+]2CCCC2)n1 ZINC000069017199 518222985 /nfs/dbraw/zinc/22/29/85/518222985.db2.gz NIVQNXJDTKWSAP-UHFFFAOYSA-N 1 0 271.158 2.319 10 0 CEAERO CC(C)(C)NC(=O)C[NH2+][C@H]1CCOc2ccccc21 ZINC000049855081 518735207 /nfs/dbraw/zinc/73/52/07/518735207.db2.gz BNNPNAMZUJWGRK-LBPRGKRZSA-N 1 0 262.353 2.015 10 0 CEAERO CC(C)(C)[NH2+]CC(=O)NCc1cccc(Cl)c1 ZINC000057831134 518753089 /nfs/dbraw/zinc/75/30/89/518753089.db2.gz PAMACRUDSMQNDD-UHFFFAOYSA-N 1 0 254.761 2.344 10 0 CEAERO CC(C)(C)[NH2+]CCc1nnc(Cc2cccc(O)c2)o1 ZINC000050620661 518758911 /nfs/dbraw/zinc/75/89/11/518758911.db2.gz GEPYPIKEDSPZLU-UHFFFAOYSA-N 1 0 275.352 2.297 10 0 CEAERO CC(C)(C)[NH2+]C[C@@H]1CC[C@H](COCC2CCOCC2)O1 ZINC000052708652 518761677 /nfs/dbraw/zinc/76/16/77/518761677.db2.gz OMOSMMMWTOKPFV-LSDHHAIUSA-N 1 0 285.428 2.365 10 0 CEAERO CC(C)(C)n1ccnc(NCc2ccc(C[NH3+])cc2)c1=O ZINC000061759331 519166699 /nfs/dbraw/zinc/16/66/99/519166699.db2.gz HZDJJEUADLSGLW-UHFFFAOYSA-N 1 0 286.379 2.069 10 0 CEAERO CC(C)C[C@@H]([NH3+])[C@@H](O)c1ccc2c(c1)CCCN2C ZINC000054929398 519225753 /nfs/dbraw/zinc/22/57/53/519225753.db2.gz NUIGHPCNFGDWEE-ZBFHGGJFSA-N 1 0 262.397 2.476 10 0 CEAERO CC(C)C[C@H](CN(C)C)[NH2+]CC(=O)Nc1ccc(F)cc1 ZINC000049555993 519340259 /nfs/dbraw/zinc/34/02/59/519340259.db2.gz ZNCJYKPJYUXPGU-OAHLLOKOSA-N 1 0 295.402 2.330 10 0 CEAERO CC(C)Cn1ccnc(Oc2cccc(F)c2C[NH3+])c1=O ZINC000061770690 519522056 /nfs/dbraw/zinc/52/20/56/519522056.db2.gz WFACJDPPORQCLG-UHFFFAOYSA-N 1 0 291.326 2.289 10 0 CEAERO CC(C)N1C(=O)C[C@H]([NH3+])[C@H]1c1ccc(Br)o1 ZINC000062209543 519666469 /nfs/dbraw/zinc/66/64/69/519666469.db2.gz VJPUOEXGCOEXEL-CPCISQLKSA-N 1 0 287.157 2.051 10 0 CEAERO CC(C)CC[NH2+]C[C@@H](C)N1CCN(c2ccccn2)CC1 ZINC000053488149 519663306 /nfs/dbraw/zinc/66/33/06/519663306.db2.gz ZAOWTPXPMKGULH-MRXNPFEDSA-N 1 0 290.455 2.228 10 0 CEAERO CC(C)[NH2+]CCCOCc1ccc2c(c1)OCO2 ZINC000052625010 519720517 /nfs/dbraw/zinc/72/05/17/519720517.db2.gz JVPJWEZTRZDRFW-UHFFFAOYSA-N 1 0 251.326 2.320 10 0 CEAERO CC(C)[NH2+]CCCCOc1cccc(S(C)(=O)=O)c1 ZINC000052701353 519720677 /nfs/dbraw/zinc/72/06/77/519720677.db2.gz LHEVSVOPGNXTPM-UHFFFAOYSA-N 1 0 285.409 2.247 10 0 CEAERO CC(=O)Nc1ccc(NC(=O)C[NH2+]Cc2ccccc2)cc1 ZINC000059489108 519722201 /nfs/dbraw/zinc/72/22/01/519722201.db2.gz QGTHZIURBIOTIE-UHFFFAOYSA-N 1 0 297.358 2.373 10 0 CEAERO CC(C)[NH2+]CCc1nnc(-c2ccc3c(c2)OCCO3)o1 ZINC000050620187 519722593 /nfs/dbraw/zinc/72/25/93/519722593.db2.gz UTZUZGYJHGXRBQ-UHFFFAOYSA-N 1 0 289.335 2.048 10 0 CEAERO CC(C)[NH2+]C[C@H]1CCCN(c2ccc(Cl)nn2)C1 ZINC000063140251 519725288 /nfs/dbraw/zinc/72/52/88/519725288.db2.gz TXYWPGRGALEROQ-LLVKDONJSA-N 1 0 268.792 2.344 10 0 CEAERO CC(C)C[NH+]1CCN(CC(=O)c2ccc(F)cc2F)CC1 ZINC000055080110 519725701 /nfs/dbraw/zinc/72/57/01/519725701.db2.gz NFNIMRZADXWQJB-UHFFFAOYSA-N 1 0 296.361 2.421 10 0 CEAERO CC(C)[NH2+]Cc1nnc(-c2cncc(Br)c2)o1 ZINC000050615967 519729529 /nfs/dbraw/zinc/72/95/29/519729529.db2.gz KUTNGRWMJHWQOW-UHFFFAOYSA-N 1 0 297.156 2.392 10 0 CEAERO CC(C)[NH2+]Cc1nnnn1[C@@H](C)c1ccccc1Cl ZINC000054747804 519729848 /nfs/dbraw/zinc/72/98/48/519729848.db2.gz QAERTHVRRZXRFX-JTQLQIEISA-N 1 0 279.775 2.434 10 0 CEAERO CC(C)[NH2+][C@@H](CS[C@H]1CCC[C@@H](C)C1)C(N)=O ZINC000054695502 519735361 /nfs/dbraw/zinc/73/53/61/519735361.db2.gz XHBFSJIJSYZINU-WOPDTQHZSA-N 1 0 258.431 2.150 10 0 CEAERO CC(C)N[C@](C)(C[C@H](C)[N@@H+]1CCCC(C)(C)C1)C(N)=O ZINC000068647857 519740073 /nfs/dbraw/zinc/74/00/73/519740073.db2.gz TXRZKQPRQQIICA-XJKSGUPXSA-N 1 0 283.460 2.129 10 0 CEAERO CC(C)C[NH2+]C[C@H](C)Sc1nnc2ccccn21 ZINC000061409133 519746041 /nfs/dbraw/zinc/74/60/41/519746041.db2.gz GNZIJGZSBLWJDH-NSHDSACASA-N 1 0 264.398 2.456 10 0 CEAERO CC(C)C[NH2+]C[C@H]1CC[C@@H](CN(C)CC(F)(F)F)O1 ZINC000052483404 519746098 /nfs/dbraw/zinc/74/60/98/519746098.db2.gz KZFBDDMKCFRYSD-NEPJUHHUSA-N 1 0 282.350 2.274 10 0 CEAERO CC(C)C[NH2+]C[C@H]1CC[C@@H](Cn2nnc3ccccc32)O1 ZINC000052576720 519746520 /nfs/dbraw/zinc/74/65/20/519746520.db2.gz GSDPMALNUGWHNA-KGLIPLIRSA-N 1 0 288.395 2.225 10 0 CEAERO CC(C)C[NH2+]Cc1cc(F)ccc1N(C)CC(=O)N(C)C ZINC000062735674 519746619 /nfs/dbraw/zinc/74/66/19/519746619.db2.gz JKXLIZGTAQEAIU-UHFFFAOYSA-N 1 0 295.402 2.096 10 0 CEAERO CC(C)OC(=O)COc1cc(F)ccc1[C@@H](C)[NH3+] ZINC000062745116 519747503 /nfs/dbraw/zinc/74/75/03/519747503.db2.gz RAMVSBSVAJIUMS-SECBINFHSA-N 1 0 255.289 2.176 10 0 CEAERO CC(C)C[NH2+]Cc1cccc(O[C@H]2CCOC2=O)c1 ZINC000062731500 519747683 /nfs/dbraw/zinc/74/76/83/519747683.db2.gz LGSGBBVTGSTRPS-AWEZNQCLSA-N 1 0 263.337 2.127 10 0 CEAERO CC(C)C[NH2+]Cc1ccccc1OCC(=O)NC(C)C ZINC000062729378 519747711 /nfs/dbraw/zinc/74/77/11/519747711.db2.gz XHGTYGPPSXLLBB-UHFFFAOYSA-N 1 0 278.396 2.336 10 0 CEAERO CC(C)C[NH2+]Cc1nc2cc3c(cc2[nH]1)OCCO3 ZINC000062742435 519748759 /nfs/dbraw/zinc/74/87/59/519748759.db2.gz VPRFXHFLXHDVHR-UHFFFAOYSA-N 1 0 261.325 2.080 10 0 CEAERO CC(C)C[NH2+]Cc1nnnn1-c1cc(Cl)ccc1F ZINC000054745077 519748953 /nfs/dbraw/zinc/74/89/53/519748953.db2.gz VMIGXMQEHBZBDS-UHFFFAOYSA-N 1 0 283.738 2.200 10 0 CEAERO CC(C)C[NH2+]Cc1occc1CN1CCOC[C@H]1C ZINC000052476112 519749340 /nfs/dbraw/zinc/74/93/40/519749340.db2.gz QJSXBYXEHNEXDE-CYBMUJFWSA-N 1 0 266.385 2.246 10 0 CEAERO CC(C)Oc1cccc(C(=O)N[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000061666815 519782522 /nfs/dbraw/zinc/78/25/22/519782522.db2.gz ZRGLZBBDSFIOKW-GJZGRUSLSA-N 1 0 276.380 2.474 10 0 CEAERO CC(C)Oc1nc(N[C@H](C[NH+](C)C)C(C)C)ccc1N ZINC000049194704 519785846 /nfs/dbraw/zinc/78/58/46/519785846.db2.gz BUGUYAAWJICXTK-CYBMUJFWSA-N 1 0 280.416 2.449 10 0 CEAERO CC(C)[C@H](C[NH2+]C1CC1)Oc1ccc(S(C)(=O)=O)cc1 ZINC000052701926 519815899 /nfs/dbraw/zinc/81/58/99/519815899.db2.gz LAIAQCLKPLOUFJ-HNNXBMFYSA-N 1 0 297.420 2.246 10 0 CEAERO CC(C)[C@H]1CCC(=O)[C@@H](C[N@@H+]2CCCN(C)CC2)C1 ZINC000054558924 519824442 /nfs/dbraw/zinc/82/44/42/519824442.db2.gz HWOLBIPKWAHBQD-LSDHHAIUSA-N 1 0 266.429 2.265 10 0 CEAERO CCC[NH+]1CCC(Nc2ccnc(C(=O)NCC)c2)CC1 ZINC000049558060 519847667 /nfs/dbraw/zinc/84/76/67/519847667.db2.gz HJNVUBHAQIIBNF-UHFFFAOYSA-N 1 0 290.411 2.118 10 0 CEAERO CCC1CCC([N@H+](C)C[C@](NC)(C(=O)OC)C2CC2)CC1 ZINC000069183674 519853204 /nfs/dbraw/zinc/85/32/04/519853204.db2.gz NJKUWZRODYIUGG-PUJMQQBBSA-N 1 0 296.455 2.428 10 0 CEAERO CCC1CCN(C(=O)[C@H]2[C@@H](C)CCC[C@@H]2[NH3+])CC1 ZINC000055134705 519858517 /nfs/dbraw/zinc/85/85/17/519858517.db2.gz CSGLVIIUFWDVHD-UBHSHLNASA-N 1 0 252.402 2.399 10 0 CEAERO CCCN1CC[NH+](C[C@H]2C[C@@H](C(C)C)CC[C@@H]2O)CC1 ZINC000054560746 519858718 /nfs/dbraw/zinc/85/87/18/519858718.db2.gz IBWGPDYDGLAFML-BBWFWOEESA-N 1 0 282.472 2.447 10 0 CEAERO CCNC(=O)c1ccc(NC(=O)C[C@@H](C)[NH2+]CC)c(C)c1 ZINC000061271598 519893965 /nfs/dbraw/zinc/89/39/65/519893965.db2.gz PHJRCBZNWHZJKS-GFCCVEGCSA-N 1 0 291.395 2.071 10 0 CEAERO CCOCCC[NH2+]C[C@@H](C)N(C)Cc1ccco1 ZINC000053490684 519896725 /nfs/dbraw/zinc/89/67/25/519896725.db2.gz LKKXNDUKVJPAKR-CYBMUJFWSA-N 1 0 254.374 2.116 10 0 CEAERO CCCC1CCC([NH2+]CC(=O)NCCCOC)CC1 ZINC000049545167 519898125 /nfs/dbraw/zinc/89/81/25/519898125.db2.gz NSQRITDXQSHVPN-UHFFFAOYSA-N 1 0 270.417 2.088 10 0 CEAERO CCCC1CCN(C(=O)[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000050906492 519900445 /nfs/dbraw/zinc/90/04/45/519900445.db2.gz BHQSREBYNUKWDB-OCCSQVGLSA-N 1 0 252.402 2.413 10 0 CEAERO CCCC1CC[NH+](C[C@](C)(NCC)C(=O)OCC)CC1 ZINC000050905655 519902281 /nfs/dbraw/zinc/90/22/81/519902281.db2.gz TZPKETCWJYSJJL-INIZCTEOSA-N 1 0 284.444 2.430 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N(C)CCOc1ccccc1F ZINC000061294390 519903586 /nfs/dbraw/zinc/90/35/86/519903586.db2.gz VRTXEZLACNTLGY-UHFFFAOYSA-N 1 0 282.359 2.051 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1ccc(OCC)cc1 ZINC000061278666 519907339 /nfs/dbraw/zinc/90/73/39/519907339.db2.gz UFGQOKIRBGMDQO-UHFFFAOYSA-N 1 0 250.342 2.412 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1cccc(Cn2cccn2)c1 ZINC000061290141 519907537 /nfs/dbraw/zinc/90/75/37/519907537.db2.gz NEMSAIFYCIQOFA-UHFFFAOYSA-N 1 0 286.379 2.258 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1nc(C2CC2)cs1 ZINC000061299058 519907944 /nfs/dbraw/zinc/90/79/44/519907944.db2.gz PPMSLIWCQBTFLF-UHFFFAOYSA-N 1 0 253.371 2.347 10 0 CEAERO CC[NH2+]CCC(=O)Nc1cc(OC)ccc1Cl ZINC000061299155 519917613 /nfs/dbraw/zinc/91/76/13/519917613.db2.gz GQCIOOVFNIXRLP-UHFFFAOYSA-N 1 0 256.733 2.287 10 0 CEAERO CC[NH2+]CCC(=O)Nc1ccccc1Br ZINC000061287539 519918604 /nfs/dbraw/zinc/91/86/04/519918604.db2.gz LRGCTEGBDPIEFE-UHFFFAOYSA-N 1 0 271.158 2.387 10 0 CEAERO CCC[NH2+]C[C@@H](CCCS(C)(=O)=O)CC(C)C ZINC000063018152 519921066 /nfs/dbraw/zinc/92/10/66/519921066.db2.gz NWIFJPYHMAQAPR-ZDUSSCGKSA-N 1 0 263.447 2.473 10 0 CEAERO CCC[NH2+]C[C@@H](Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000052950838 519921191 /nfs/dbraw/zinc/92/11/91/519921191.db2.gz USAAXGLMVYAGLW-JKSUJKDBSA-N 1 0 295.448 2.280 10 0 CEAERO CCC[NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000055028422 519922027 /nfs/dbraw/zinc/92/20/27/519922027.db2.gz QMSYZWDZKOAOFR-LLVKDONJSA-N 1 0 271.744 2.144 10 0 CEAERO CCC[NH2+]C[C@@H]1CCCCN1c1nccn(CCC)c1=O ZINC000061775208 519922638 /nfs/dbraw/zinc/92/26/38/519922638.db2.gz IBWNGTCDIDFUAO-AWEZNQCLSA-N 1 0 292.427 2.012 10 0 CEAERO CC(C)n1c(S[C@H](c2ccsc2)[C@H](C)[NH3+])n[nH]c1=O ZINC000061595200 519924074 /nfs/dbraw/zinc/92/40/74/519924074.db2.gz TZPIMGUSIGLDTO-WPRPVWTQSA-N 1 0 298.437 2.394 10 0 CEAERO CCC[NH2+]C[C@H](CCC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000052950807 519933661 /nfs/dbraw/zinc/93/36/61/519933661.db2.gz XURBYYQCXMXFKA-UONOGXRCSA-N 1 0 275.458 2.473 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N[C@@H](C)COc1ccc(C)cc1 ZINC000061266898 519935570 /nfs/dbraw/zinc/93/55/70/519935570.db2.gz RREOIRHBDGUBCY-KGLIPLIRSA-N 1 0 278.396 2.124 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N[C@@H]1CCCc2sccc21 ZINC000061366021 519937125 /nfs/dbraw/zinc/93/71/25/519937125.db2.gz HEENKUMOKZAALO-ZYHUDNBSSA-N 1 0 266.410 2.487 10 0 CEAERO CCC[NH2+]C[C@H]1OCCN(C)[C@@H]1c1cccs1 ZINC000070285610 519940655 /nfs/dbraw/zinc/94/06/55/519940655.db2.gz PFXCANWXYKBWLH-YPMHNXCESA-N 1 0 254.399 2.119 10 0 CEAERO CCC[NH2+]Cc1c(Cl)cccc1N1CC[C@H](O)C1 ZINC000061711288 519942388 /nfs/dbraw/zinc/94/23/88/519942388.db2.gz KCGPUWMYJBZZDH-NSHDSACASA-N 1 0 268.788 2.411 10 0 CEAERO CCC[NH2+]Cc1c(Cl)cccc1N1CC[C@@H](O)C1 ZINC000061711289 519942912 /nfs/dbraw/zinc/94/29/12/519942912.db2.gz KCGPUWMYJBZZDH-LLVKDONJSA-N 1 0 268.788 2.411 10 0 CEAERO CC[NH2+]C[C@@H](CCOC)Cc1cccc(OC)c1 ZINC000052978394 519946027 /nfs/dbraw/zinc/94/60/27/519946027.db2.gz UHPZVHVDOUNFDW-AWEZNQCLSA-N 1 0 251.370 2.500 10 0 CEAERO CC[NH2+]C[C@@H](OCCCOC)c1ccccc1OC ZINC000050486700 519947611 /nfs/dbraw/zinc/94/76/11/519947611.db2.gz GMIHAVQLGNQZDU-OAHLLOKOSA-N 1 0 267.369 2.399 10 0 CEAERO CCC[NH2+]Cc1ccc(OCCC(=O)OC)c(OC)c1 ZINC000069316976 519952391 /nfs/dbraw/zinc/95/23/91/519952391.db2.gz ADSNQWADIBHVOY-UHFFFAOYSA-N 1 0 281.352 2.137 10 0 CEAERO CC[NH2+]C[C@@H]1C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000054590610 519956525 /nfs/dbraw/zinc/95/65/25/519956525.db2.gz NRTBFCRAIQRTQE-NWDGAFQWSA-N 1 0 265.353 2.425 10 0 CEAERO CCC[NH2+]Cc1cnc(N2CCO[C@@H](CC)C2)s1 ZINC000054903597 519964703 /nfs/dbraw/zinc/96/47/03/519964703.db2.gz HVBJFXUAAGWWFB-NSHDSACASA-N 1 0 269.414 2.258 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000061230336 519964824 /nfs/dbraw/zinc/96/48/24/519964824.db2.gz GKIRUGXZFDPUQF-SWLSCSKDSA-N 1 0 260.381 2.426 10 0 CEAERO CCC[NH2+]Cc1nc(COCCCOC)cs1 ZINC000052597396 519968482 /nfs/dbraw/zinc/96/84/82/519968482.db2.gz RALFIVRTUXGMEQ-UHFFFAOYSA-N 1 0 258.387 2.196 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000061234982 519970262 /nfs/dbraw/zinc/97/02/62/519970262.db2.gz KCDXLGRRDXLCSK-ZDUSSCGKSA-N 1 0 286.379 2.116 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1nc2ccc(OC)cc2s1 ZINC000061227686 519970354 /nfs/dbraw/zinc/97/03/54/519970354.db2.gz AFNVIDHTFIXXTG-VIFPVBQESA-N 1 0 293.392 2.489 10 0 CEAERO CC[NH2+]C[C@H](C)c1nc(Cc2cccs2)no1 ZINC000061220821 519971450 /nfs/dbraw/zinc/97/14/50/519971450.db2.gz ZIEQPSHBRLUFGY-VIFPVBQESA-N 1 0 251.355 2.435 10 0 CEAERO CC[NH2+]C[C@H](Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000052950513 519972508 /nfs/dbraw/zinc/97/25/08/519972508.db2.gz GLVIZPLZMNWUHB-KBPBESRZSA-N 1 0 299.411 2.029 10 0 CEAERO CCC[NH2+]Cc1occc1COC[C@@H]1CCOC1 ZINC000052704387 519972603 /nfs/dbraw/zinc/97/26/03/519972603.db2.gz CRWNJXLLYDRVOK-GFCCVEGCSA-N 1 0 253.342 2.332 10 0 CEAERO CC[NH2+]C[C@H]1CCCCN1Cc1cn2ccccc2n1 ZINC000053650689 519976146 /nfs/dbraw/zinc/97/61/46/519976146.db2.gz GYXFVOUEPNMIPJ-OAHLLOKOSA-N 1 0 272.396 2.298 10 0 CEAERO CC[NH2+]C[C@H]1CC[C@@H](CN2CCc3ccccc32)O1 ZINC000052420353 519979113 /nfs/dbraw/zinc/97/91/13/519979113.db2.gz CEVIFLJBTAGVIE-CABCVRRESA-N 1 0 260.381 2.206 10 0 CEAERO CC[NH2+]C[C@H]1CC[C@H](CN(C)c2ccccc2OC)O1 ZINC000052513173 519980269 /nfs/dbraw/zinc/98/02/69/519980269.db2.gz AJWAWUVMRUKYKS-ZIAGYGMSSA-N 1 0 278.396 2.289 10 0 CEAERO CC[NH2+]Cc1cc(CN2CCO[C@@H](CC)C2)c(C)o1 ZINC000052477368 519990818 /nfs/dbraw/zinc/99/08/18/519990818.db2.gz NECSHBUSUFYGPF-AWEZNQCLSA-N 1 0 266.385 2.308 10 0 CEAERO CC[NH2+]Cc1ccnc(N2CCC(COC)CC2)c1 ZINC000070082612 520010014 /nfs/dbraw/zinc/01/00/14/520010014.db2.gz DZXLGTIHKLCYLH-UHFFFAOYSA-N 1 0 263.385 2.054 10 0 CEAERO CCC[NH2+][C@@H](c1ccc(OC)cc1C)[C@H]1COCCO1 ZINC000055300487 520018408 /nfs/dbraw/zinc/01/84/08/520018408.db2.gz GKJSQQPBQPVJHL-CVEARBPZSA-N 1 0 279.380 2.460 10 0 CEAERO CC[NH2+]Cc1nnnn1-c1ccc(Cl)c(Cl)c1 ZINC000054744216 520025213 /nfs/dbraw/zinc/02/52/13/520025213.db2.gz MXWRYATXQHFINO-UHFFFAOYSA-N 1 0 272.139 2.079 10 0 CEAERO CC[NH2+]Cc1nnnn1[C@@H](C)c1ccc(Cl)cc1 ZINC000054747655 520028700 /nfs/dbraw/zinc/02/87/00/520028700.db2.gz YNFHHLPBYYVCRE-VIFPVBQESA-N 1 0 265.748 2.045 10 0 CEAERO CC[NH2+]Cc1sc(N(CC)[C@@H](C)COC)nc1C ZINC000054998673 520033337 /nfs/dbraw/zinc/03/33/37/520033337.db2.gz HVXJDXOQUNOXPP-JTQLQIEISA-N 1 0 271.430 2.422 10 0 CEAERO CCC[NH2+][C@@](C)(C[C@H](C)Oc1ccc(OC)cc1)C(N)=O ZINC000068656846 520047637 /nfs/dbraw/zinc/04/76/37/520047637.db2.gz HTOLUUQAHFQYEP-LRDDRELGSA-N 1 0 294.395 2.096 10 0 CEAERO CCN(C(=O)c1cc(C)ccc1OC)[C@@H]1CCC[NH2+]C1 ZINC000052943391 520062792 /nfs/dbraw/zinc/06/27/92/520062792.db2.gz DOLPXJUCUSEQHK-CYBMUJFWSA-N 1 0 276.380 2.218 10 0 CEAERO CCC[NH2+][C@H](C)c1ccc(F)cc1OCC(=O)N(C)C ZINC000062747447 520063578 /nfs/dbraw/zinc/06/35/78/520063578.db2.gz FXQOORNCZUGPFR-LLVKDONJSA-N 1 0 282.359 2.353 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000061273652 520065877 /nfs/dbraw/zinc/06/58/77/520065877.db2.gz DEYQAFGLNJYZJA-JTQLQIEISA-N 1 0 286.322 2.292 10 0 CEAERO CC[NH2+][C@@H](C)c1c(C)nn(C[C@H]2CCOC2)c1C ZINC000054718245 520074626 /nfs/dbraw/zinc/07/46/26/520074626.db2.gz WKWVZWLZYIHVQB-GXFFZTMASA-N 1 0 251.374 2.207 10 0 CEAERO CC[NH2+][C@@H](C)c1cnc(N(C)C2CCOCC2)s1 ZINC000054904620 520079948 /nfs/dbraw/zinc/07/99/48/520079948.db2.gz ZHVAFJXWGPZWSR-JTQLQIEISA-N 1 0 269.414 2.429 10 0 CEAERO CCC[NH2+][C@H](CN(C)CCc1ccccn1)C1CC1 ZINC000069073781 520081449 /nfs/dbraw/zinc/08/14/49/520081449.db2.gz WRUVTMAQYXQFKB-MRXNPFEDSA-N 1 0 261.413 2.334 10 0 CEAERO CCC[NH2+][C@H](Cc1nc(C)cs1)c1ccnn1C ZINC000069467887 520088599 /nfs/dbraw/zinc/08/85/99/520088599.db2.gz LWATXKAFVDKDCC-LLVKDONJSA-N 1 0 264.398 2.468 10 0 CEAERO CCC[NH2+][C@H](Cc1nc(C)cs1)c1nccn1C ZINC000069473816 520088616 /nfs/dbraw/zinc/08/86/16/520088616.db2.gz UGCVJGRWZPBBID-LLVKDONJSA-N 1 0 264.398 2.468 10 0 CEAERO CCC[NH2+][C@H]1CCc2c1cccc2OC[C@@H](C)C(N)=O ZINC000062800039 520098023 /nfs/dbraw/zinc/09/80/23/520098023.db2.gz VJTUBAZZXQGJIV-RISCZKNCSA-N 1 0 276.380 2.174 10 0 CEAERO CC[NH2+][C@@H](c1c(F)cc(OC)cc1F)[C@@H]1COCCO1 ZINC000055300980 520108028 /nfs/dbraw/zinc/10/80/28/520108028.db2.gz FEUTUGIKUCXIEH-GXTWGEPZSA-N 1 0 287.306 2.039 10 0 CEAERO CCC[NH2+][C@](C)(C[C@@H](C)Oc1ccccc1OC)C(N)=O ZINC000068656628 520111540 /nfs/dbraw/zinc/11/15/40/520111540.db2.gz FJWPWOJHNPCCOD-MLGOLLRUSA-N 1 0 294.395 2.096 10 0 CEAERO CC[NH2+][C@@H](c1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1CCCCO1 ZINC000050962042 520112049 /nfs/dbraw/zinc/11/20/49/520112049.db2.gz XMPGRSYTIQOFJD-KBPBESRZSA-N 1 0 275.352 2.076 10 0 CEAERO CCCCCC[C@@H](C)[NH2+][C@@H]1CC(=O)N(CC)C1=O ZINC000049200060 520118479 /nfs/dbraw/zinc/11/84/79/520118479.db2.gz YZOXSCMQDIAMGQ-VXGBXAGGSA-N 1 0 254.374 2.082 10 0 CEAERO CC[NH2+][C@@H]1CCN(Cc2ccc3c(c2)OCO3)C[C@@H]1C ZINC000061674897 520119359 /nfs/dbraw/zinc/11/93/59/520119359.db2.gz ZERIFQGRZLFWJT-GXTWGEPZSA-N 1 0 276.380 2.235 10 0 CEAERO CC[NH2+][C@@H]1CCOC[C@H]1Oc1ccc(Cl)cc1 ZINC000049960406 520120729 /nfs/dbraw/zinc/12/07/29/520120729.db2.gz ZLOPNYOCGQERQS-CHWSQXEVSA-N 1 0 255.745 2.486 10 0 CEAERO CC[NH2+][C@@H]1COc2cc(O[C@@H]3CCCC[C@@H]3O)ccc21 ZINC000062804761 520124643 /nfs/dbraw/zinc/12/46/43/520124643.db2.gz QRGGFNPELRUORE-QLFBSQMISA-N 1 0 277.364 2.412 10 0 CEAERO CC[NH2+][C@@H]1COc2cc(OCc3noc(C)n3)ccc21 ZINC000062804661 520124838 /nfs/dbraw/zinc/12/48/38/520124838.db2.gz VLBVPGVUQQWSDU-GFCCVEGCSA-N 1 0 275.308 2.000 10 0 CEAERO CCCCCC[C@H](C)NC(=O)c1ccc(NN)[nH+]c1 ZINC000051113664 520130695 /nfs/dbraw/zinc/13/06/95/520130695.db2.gz LJUIINDULMMFKQ-NSHDSACASA-N 1 0 264.373 2.456 10 0 CEAERO CC[NH2+][C@@](C)(COc1ccccc1[C@H](C)CC)C(N)=O ZINC000045519677 520137103 /nfs/dbraw/zinc/13/71/03/520137103.db2.gz AANUPWSQHRAGBW-WBMJQRKESA-N 1 0 278.396 2.432 10 0 CEAERO CCN[C@@](C)(C[C@@H](C)[NH+]1Cc2ccccc2C1)C(=O)OC ZINC000068641987 520139059 /nfs/dbraw/zinc/13/90/59/520139059.db2.gz WZOPTDBRYMZFGR-DYVFJYSZSA-N 1 0 290.407 2.322 10 0 CEAERO CCN[C@@](C)(C[C@H](C)[N@H+](C)C[C@@H]1C[C@@H]1C)C(=O)OCC ZINC000068647622 520144961 /nfs/dbraw/zinc/14/49/61/520144961.db2.gz ZTUCVGYDDSNVRK-YXWQFLTLSA-N 1 0 284.444 2.284 10 0 CEAERO CCN[C@@](C)(C[C@H](C)[NH+]1Cc2ccccc2C1)C(=O)OC ZINC000068641991 520145295 /nfs/dbraw/zinc/14/52/95/520145295.db2.gz WZOPTDBRYMZFGR-GUYCJALGSA-N 1 0 290.407 2.322 10 0 CEAERO CCOC[C@H](O)C[NH2+][C@H](c1cccs1)C(C)C ZINC000069278131 520163142 /nfs/dbraw/zinc/16/31/42/520163142.db2.gz HLAACXJXQAXTTH-YPMHNXCESA-N 1 0 257.399 2.432 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)NCCc1ccc(Cl)cc1 ZINC000061273880 520165828 /nfs/dbraw/zinc/16/58/28/520165828.db2.gz JXLSGNGKZLENIX-LLVKDONJSA-N 1 0 268.788 2.387 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1cc(C(=O)N(C)C)ccc1C ZINC000061270681 520168123 /nfs/dbraw/zinc/16/81/23/520168123.db2.gz VVOVUNLQVLHCQB-GFCCVEGCSA-N 1 0 291.395 2.023 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000061271650 520172353 /nfs/dbraw/zinc/17/23/53/520172353.db2.gz LRWYDXYKUCLVSJ-CYBMUJFWSA-N 1 0 286.379 2.258 10 0 CEAERO CCCNc1cccc(C(=O)N[C@H]2CCC[N@H+](CC)C2)n1 ZINC000051071594 520174431 /nfs/dbraw/zinc/17/44/31/520174431.db2.gz SBAXCWWFMDLZKX-ZDUSSCGKSA-N 1 0 290.411 2.118 10 0 CEAERO CC[NH2+][C@H](C)c1cccc(NC(=O)c2ccnn2C)c1 ZINC000061665366 520180136 /nfs/dbraw/zinc/18/01/36/520180136.db2.gz AGLSBXYKQZRMTP-LLVKDONJSA-N 1 0 272.352 2.343 10 0 CEAERO CC[NH2+][C@H](c1ccc(OC)cc1C)C(C)(C)S(C)(=O)=O ZINC000070128788 520207357 /nfs/dbraw/zinc/20/73/57/520207357.db2.gz UXHRZAOPSZZOHQ-CQSZACIVSA-N 1 0 299.436 2.477 10 0 CEAERO CC[NH2+][C@H](c1ccc2c(c1)oc(=O)n2C)[C@H]1CCCOC1 ZINC000062234925 520210436 /nfs/dbraw/zinc/21/04/36/520210436.db2.gz FOYLFHMFPHWQLC-SWLSCSKDSA-N 1 0 290.363 2.209 10 0 CEAERO CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1[C@@H]1CCS(=O)(=O)C1 ZINC000054630916 520217845 /nfs/dbraw/zinc/21/78/45/520217845.db2.gz OELSDGSHRUZYRK-TUVASFSCSA-N 1 0 287.469 2.472 10 0 CEAERO CC[NH2+][C@H]1CCc2c1cccc2O[C@@H]1CCCCNC1=O ZINC000062799809 520219898 /nfs/dbraw/zinc/21/98/98/520219898.db2.gz NSHDNZVPSHWYRL-GOEBONIOSA-N 1 0 288.391 2.331 10 0 CEAERO CC[NH2+][C@H]1CCc2c1cccc2O[C@@H](C)C(=O)OC ZINC000062799489 520220038 /nfs/dbraw/zinc/22/00/38/520220038.db2.gz TXSAHPAUPKKKPK-GWCFXTLKSA-N 1 0 263.337 2.224 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2CC[C@@H]1N1CCCOCC1 ZINC000061917881 520223609 /nfs/dbraw/zinc/22/36/09/520223609.db2.gz JVNJVDCWCAHZNJ-IRXDYDNUSA-N 1 0 274.408 2.374 10 0 CEAERO CCNc1cc(C[N@H+](C)[C@@H]2CCSC2)ccn1 ZINC000052720001 520269741 /nfs/dbraw/zinc/26/97/41/520269741.db2.gz MHPIUZRPQSHTHU-GFCCVEGCSA-N 1 0 251.399 2.451 10 0 CEAERO CCCO[C@H]1CCCN(C(=O)C[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC000055136855 520280022 /nfs/dbraw/zinc/28/00/22/520280022.db2.gz PPBZJPIHRNVYMU-ILXRZTDVSA-N 1 0 282.428 2.312 10 0 CEAERO CCCO[C@H]1CCCN(C(=O)[C@H](C[NH3+])c2ccccc2)C1 ZINC000061612559 520282026 /nfs/dbraw/zinc/28/20/26/520282026.db2.gz YHCWZVYMMIXJDI-JKSUJKDBSA-N 1 0 290.407 2.147 10 0 CEAERO CCCCC[C@@H](C)[NH2+]CCn1c(C)cc(C)nc1=O ZINC000053500118 520286453 /nfs/dbraw/zinc/28/64/53/520286453.db2.gz DGXLNFZARUVCRV-GFCCVEGCSA-N 1 0 265.401 2.419 10 0 CEAERO CCNc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000050779356 520294519 /nfs/dbraw/zinc/29/45/19/520294519.db2.gz GHTAFGDRIMOQLD-AWEZNQCLSA-N 1 0 273.380 2.085 10 0 CEAERO CCNc1ccc(C)cc1C(=O)N[C@H]1C[NH+]2CCC1CC2 ZINC000053000511 520299977 /nfs/dbraw/zinc/29/99/77/520299977.db2.gz FSLWLIYKQMHKHE-INIZCTEOSA-N 1 0 287.407 2.251 10 0 CEAERO CCNc1ccc(CN2CC[NH+]([C@H](C)CC)CC2)cn1 ZINC000055071173 520300605 /nfs/dbraw/zinc/30/06/05/520300605.db2.gz BAFXQLLYIGWADZ-CQSZACIVSA-N 1 0 276.428 2.430 10 0 CEAERO CCO[C@@H](C[NH3+])CN(C)Cc1ccccc1Cl ZINC000062739652 520309842 /nfs/dbraw/zinc/30/98/42/520309842.db2.gz JTPSFKYBLFADMV-LBPRGKRZSA-N 1 0 256.777 2.136 10 0 CEAERO CCCOc1ccc(C[NH3+])c(OC2CCOCC2)c1 ZINC000069288931 520343932 /nfs/dbraw/zinc/34/39/32/520343932.db2.gz QMCVDJIRYNURSJ-UHFFFAOYSA-N 1 0 265.353 2.492 10 0 CEAERO CCNc1ccnc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000050791183 520346553 /nfs/dbraw/zinc/34/65/53/520346553.db2.gz PZDQLGKRHDLZRK-ZDUSSCGKSA-N 1 0 290.411 2.118 10 0 CEAERO CCNc1ncccc1C[N@H+](CCCO)C(C)C ZINC000052731229 520376078 /nfs/dbraw/zinc/37/60/78/520376078.db2.gz XHQMKXIILJMXDD-UHFFFAOYSA-N 1 0 251.374 2.106 10 0 CEAERO CCCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC)cc1 ZINC000049095786 520427632 /nfs/dbraw/zinc/42/76/32/520427632.db2.gz LMZURCMERCQKKI-NWDGAFQWSA-N 1 0 264.369 2.261 10 0 CEAERO CCCC[N@H+](CC(=O)CC(=O)OCC)[C@H](C)CC ZINC000068813945 520440686 /nfs/dbraw/zinc/44/06/86/520440686.db2.gz YOFPMXWLSRSSLT-GFCCVEGCSA-N 1 0 257.374 2.409 10 0 CEAERO CCCCN(CCCC)C(=O)CN1CCCC[C@H]1C[NH2+]C ZINC000063168803 520489337 /nfs/dbraw/zinc/48/93/37/520489337.db2.gz 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CCN(C[C@@H](C)C[NH3+])C(=O)c1cccc2ncccc21 ZINC000061410475 521201965 /nfs/dbraw/zinc/20/19/65/521201965.db2.gz XEAYACDOUYFTLL-LBPRGKRZSA-N 1 0 271.364 2.292 10 0 CEAERO CCC[C@H]1CN[C@@H](C(C)C)C[N@@H+]1CCCn1ccnc1 ZINC000068695480 521224138 /nfs/dbraw/zinc/22/41/38/521224138.db2.gz NFKOSABASSMIGE-JKSUJKDBSA-N 1 0 278.444 2.372 10 0 CEAERO CCC[C@](C)(C[NH2+]CCOC)Cc1cnn(C)c1 ZINC000054657513 521269411 /nfs/dbraw/zinc/26/94/11/521269411.db2.gz GMHVNZGBFYEILD-AWEZNQCLSA-N 1 0 253.390 2.005 10 0 CEAERO CCN(C[C@]1(C[NH3+])CCOC1)c1ccccc1F ZINC000051252968 521276415 /nfs/dbraw/zinc/27/64/15/521276415.db2.gz BSHDSVVJMJYALF-CQSZACIVSA-N 1 0 252.333 2.017 10 0 CEAERO CCN(Cc1ccc(C[NH2+]C)o1)CC(F)(F)F ZINC000052503053 521307871 /nfs/dbraw/zinc/30/78/71/521307871.db2.gz DPERIJZGZSFUBY-UHFFFAOYSA-N 1 0 250.264 2.383 10 0 CEAERO CCOC(=O)[C@](C)(C[C@@H](C)[N@H+](C)CC(C)C)NC1CC1 ZINC000068622740 521321445 /nfs/dbraw/zinc/32/14/45/521321445.db2.gz NIQFCUOBQVONKA-CJNGLKHVSA-N 1 0 284.444 2.427 10 0 CEAERO CCC(C)(C)NC(=O)Cn1cc(CC[NH3+])c2ccccc21 ZINC000062950735 521323895 /nfs/dbraw/zinc/32/38/95/521323895.db2.gz QPCIBAHUZHEEGA-UHFFFAOYSA-N 1 0 287.407 2.447 10 0 CEAERO CCOc1cccc(CC[NH3+])c1OC1CCOCC1 ZINC000069310500 521328147 /nfs/dbraw/zinc/32/81/47/521328147.db2.gz ONMSFAJXYIHKGK-UHFFFAOYSA-N 1 0 265.353 2.144 10 0 CEAERO CCOC(=O)[C@](C[N@H+](C)C(C)C)(NC(C)C)C1CC1 ZINC000069095457 521336528 /nfs/dbraw/zinc/33/65/28/521336528.db2.gz ZLRXVYQPJMPFII-OAHLLOKOSA-N 1 0 270.417 2.037 10 0 CEAERO CCOc1cccc(NCC[NH2+]C[C@H]2CCCO2)c1 ZINC000066188588 521399244 /nfs/dbraw/zinc/39/92/44/521399244.db2.gz FDZZTOLMZLATFS-OAHLLOKOSA-N 1 0 264.369 2.266 10 0 CEAERO CCCc1ccc([C@H](Cn2ncccc2=O)[NH2+]C)cc1 ZINC000061402303 521419353 /nfs/dbraw/zinc/41/93/53/521419353.db2.gz UYEGVISJAJYPCI-HNNXBMFYSA-N 1 0 271.364 2.157 10 0 CEAERO CCC(CC)(C[NH2+]C(C)(C)C)CN1CCS(=O)CC1 ZINC000051252254 521440750 /nfs/dbraw/zinc/44/07/50/521440750.db2.gz SDFWQRJOTBHVKH-UHFFFAOYSA-N 1 0 288.501 2.245 10 0 CEAERO CCN(Cc1[nH+]c(NN)ccc1Cl)CC1CC1 ZINC000068948276 521451115 /nfs/dbraw/zinc/45/11/15/521451115.db2.gz KGUWGZPXDVRQLE-UHFFFAOYSA-N 1 0 254.765 2.253 10 0 CEAERO CCCc1nc(N2CCN(C3CC3)CC2)sc1C[NH2+]C ZINC000055002263 521532795 /nfs/dbraw/zinc/53/27/95/521532795.db2.gz XZUCGQPAMUGWNV-UHFFFAOYSA-N 1 0 294.468 2.099 10 0 CEAERO CCCc1[nH+]c2cc(N)ccc2n1CCCS(C)(=O)=O ZINC000052853975 521542123 /nfs/dbraw/zinc/54/21/23/521542123.db2.gz HBULAJFHDDRHGU-UHFFFAOYSA-N 1 0 295.408 2.006 10 0 CEAERO CC[NH+]1CCC(N(C)C(=O)c2ccc(NC)cc2)CC1 ZINC000050786087 521556795 /nfs/dbraw/zinc/55/67/95/521556795.db2.gz AXTSJYCHIZBQQY-UHFFFAOYSA-N 1 0 275.396 2.285 10 0 CEAERO CCC(CC)N(CCOC)C(=O)[C@H]1C[C@@H]([NH3+])CC[C@@H]1C ZINC000055133759 521557317 /nfs/dbraw/zinc/55/73/17/521557317.db2.gz CSGUJKXGYOZXNM-YDHLFZDLSA-N 1 0 284.444 2.414 10 0 CEAERO CCOc1ccccc1[C@@H]([NH3+])CO[C@@H](C)COC ZINC000070205790 521579362 /nfs/dbraw/zinc/57/93/62/521579362.db2.gz KGDRGNXLMZNRRA-AAEUAGOBSA-N 1 0 253.342 2.137 10 0 CEAERO CCOc1ccccc1[C@@H]1[C@H](C[NH2+]C)OCCN1C1CC1 ZINC000070289570 521581327 /nfs/dbraw/zinc/58/13/27/521581327.db2.gz RXAJBGUYDSJREP-DLBZAZTESA-N 1 0 290.407 2.209 10 0 CEAERO CCC(CC)NC(=O)[C@@H](C)OCCC[NH2+]C(C)C ZINC000051863525 521588753 /nfs/dbraw/zinc/58/87/53/521588753.db2.gz WMSCLXUSFXLXPF-GFCCVEGCSA-N 1 0 258.406 2.084 10 0 CEAERO CCC(CC)[NH2+]C[C@@H](C)n1nnc(-c2ccco2)n1 ZINC000053538844 521596644 /nfs/dbraw/zinc/59/66/44/521596644.db2.gz BQIQFSSNERUMFS-SNVBAGLBSA-N 1 0 263.345 2.272 10 0 CEAERO CCOc1nc(Cl)nc(N[C@@H](C)C[NH+](CC)CC)n1 ZINC000061517245 521604742 /nfs/dbraw/zinc/60/47/42/521604742.db2.gz IQKOSTYQYYPXJT-VIFPVBQESA-N 1 0 287.795 2.066 10 0 CEAERO CCS(=O)(=O)CC[C@@H]1C[C@@H](C(C)C)CC[C@@H]1[NH3+] ZINC000054630586 521644587 /nfs/dbraw/zinc/64/45/87/521644587.db2.gz ZBIIHIUBMAYBKK-XQQFMLRXSA-N 1 0 261.431 2.211 10 0 CEAERO CCCn1cc(Cl)cc1C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000070119944 521653744 /nfs/dbraw/zinc/65/37/44/521653744.db2.gz OVBSJSXCXUVEHT-LBPRGKRZSA-N 1 0 283.803 2.423 10 0 CEAERO CCCn1cc(Cl)cc1C(=O)NCC[NH2+]C1CC1 ZINC000054265313 521653785 /nfs/dbraw/zinc/65/37/85/521653785.db2.gz VVWYYMPVWPRTPV-UHFFFAOYSA-N 1 0 269.776 2.033 10 0 CEAERO CCOC1CCN(c2ncc([C@H](C)[NH3+])s2)CC1 ZINC000054896434 521657541 /nfs/dbraw/zinc/65/75/41/521657541.db2.gz CBVZMZSEZGVSKD-VIFPVBQESA-N 1 0 255.387 2.168 10 0 CEAERO CCCn1cccc1C(=O)N1CCCC[C@H]1C[NH2+]C ZINC000063167424 521659020 /nfs/dbraw/zinc/65/90/20/521659020.db2.gz RVMTZSOFZKPBSQ-ZDUSSCGKSA-N 1 0 263.385 2.112 10 0 CEAERO CCOCCC(=O)Nc1ccc([C@@H](C)[NH2+]C)cc1 ZINC000053732940 521677503 /nfs/dbraw/zinc/67/75/03/521677503.db2.gz ODUHFZQDWOCPEA-LLVKDONJSA-N 1 0 250.342 2.332 10 0 CEAERO CCCN(c1c(C[NH2+]CCOC)c(C)nn1C)C(C)C ZINC000062735260 521697175 /nfs/dbraw/zinc/69/71/75/521697175.db2.gz LTLUVBDHXLWEEP-UHFFFAOYSA-N 1 0 282.432 2.089 10 0 CEAERO CCCN1C(=O)C[C@H]([NH2+][C@@H]2CCCC[C@@H]2CC)C1=O ZINC000049118447 521699654 /nfs/dbraw/zinc/69/96/54/521699654.db2.gz WDLUHGNYAPYJGY-XQQFMLRXSA-N 1 0 266.385 2.082 10 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10 0 CEAERO COCC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000052792457 521821373 /nfs/dbraw/zinc/82/13/73/521821373.db2.gz ANXYWQANNWJPLK-BLLLJJGKSA-N 1 0 290.407 2.106 10 0 CEAERO CCc1ccccc1C[C@H](C[NH3+])C(=O)N1CCCCC1 ZINC000052200829 521844467 /nfs/dbraw/zinc/84/44/67/521844467.db2.gz UWRXPNFEUPJPAG-MRXNPFEDSA-N 1 0 274.408 2.379 10 0 CEAERO CN(C)C[C@H]1CCC[N@@H+]1CCC(=O)c1ccccc1 ZINC000061653383 521866830 /nfs/dbraw/zinc/86/68/30/521866830.db2.gz YUNRECZUXMWSNL-OAHLLOKOSA-N 1 0 260.381 2.285 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1Cc1cc(N)ccc1Cl ZINC000061641779 521869237 /nfs/dbraw/zinc/86/92/37/521869237.db2.gz GTKAAYVEHZSDIX-CYBMUJFWSA-N 1 0 267.804 2.448 10 0 CEAERO COC(=O)c1cc(N[C@H](CC(C)C)C[NH+](C)C)ccc1N ZINC000049561997 521896144 /nfs/dbraw/zinc/89/61/44/521896144.db2.gz AISDDDOVKAWDDY-CYBMUJFWSA-N 1 0 293.411 2.444 10 0 CEAERO COc1cc(-c2nnc(CC[NH2+]C3CC3)o2)ccc1C ZINC000050620375 521909420 /nfs/dbraw/zinc/90/94/20/521909420.db2.gz QXPCOZAFTXIVBB-UHFFFAOYSA-N 1 0 273.336 2.348 10 0 CEAERO C[NH2+]C(C)(C)C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000061316432 521935260 /nfs/dbraw/zinc/93/52/60/521935260.db2.gz ZBDJZVQUGTXMTB-UHFFFAOYSA-N 1 0 266.307 2.222 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N(Cc1ccsc1)C1CC1 ZINC000061318200 521934019 /nfs/dbraw/zinc/93/40/19/521934019.db2.gz OURJGOWHGGLFDZ-UHFFFAOYSA-N 1 0 252.383 2.237 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N[C@H]1CCSc2ccccc21 ZINC000061300633 521938502 /nfs/dbraw/zinc/93/85/02/521938502.db2.gz YJNCGHDPANLIOF-NSHDSACASA-N 1 0 264.394 2.338 10 0 CEAERO C[NH2+]C(C)(C)C(=O)Nc1cccc(Cl)c1N(C)C ZINC000061300629 521942666 /nfs/dbraw/zinc/94/26/66/521942666.db2.gz GPHPANWCEHFMJY-UHFFFAOYSA-N 1 0 269.776 2.343 10 0 CEAERO CCc1ccccc1[C@H](C[NH3+])N(C)[C@@H](C)COC ZINC000052203771 521952012 /nfs/dbraw/zinc/95/20/12/521952012.db2.gz ATLHVVDFNYTLLC-WFASDCNBSA-N 1 0 250.386 2.216 10 0 CEAERO COCC[C@H]([NH3+])c1nc(-c2ccc(OC)c(F)c2)c[nH]1 ZINC000052811219 521952253 /nfs/dbraw/zinc/95/22/53/521952253.db2.gz ARGUYYOLHYRDFW-NSHDSACASA-N 1 0 279.315 2.261 10 0 CEAERO C[NH2+]C[C@@H](C(C)C)N(C)Cc1cccc(OC)c1 ZINC000052372846 522024608 /nfs/dbraw/zinc/02/46/08/522024608.db2.gz GZVISUWTXOLDQN-HNNXBMFYSA-N 1 0 250.386 2.371 10 0 CEAERO CC[C@@H](C)C[C@H](CC)[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000069142773 522027737 /nfs/dbraw/zinc/02/77/37/522027737.db2.gz LGWPAXYXMQSBKS-FRRDWIJNSA-N 1 0 261.431 2.368 10 0 CEAERO COC(=O)c1ccc(C[NH2+][C@@H](C)CN2CCCC2)cc1 ZINC000049149496 522033021 /nfs/dbraw/zinc/03/30/21/522033021.db2.gz ZFFMULYJJFNSJR-ZDUSSCGKSA-N 1 0 276.380 2.047 10 0 CEAERO C[NH2+]C[C@@H](CCC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000052950258 522034272 /nfs/dbraw/zinc/03/42/72/522034272.db2.gz HTPLCRXSSCNIGL-VXGBXAGGSA-N 1 0 261.431 2.083 10 0 CEAERO C[NH2+]C[C@@H](OC[C@H]1CCCO1)c1ccc(F)cc1 ZINC000050494388 522037482 /nfs/dbraw/zinc/03/74/82/522037482.db2.gz JWBKQHHKNZNMPF-ZIAGYGMSSA-N 1 0 253.317 2.282 10 0 CEAERO C[NH2+]C[C@@H]1CCCCN1C(=O)c1cc2ccccc2[nH]1 ZINC000063167391 522039607 /nfs/dbraw/zinc/03/96/07/522039607.db2.gz YQLJVTNKBKQOLU-ZDUSSCGKSA-N 1 0 271.364 2.382 10 0 CEAERO C[NH2+]C[C@@H]1CC[C@H](COCCCc2ccccc2)O1 ZINC000052705675 522061183 /nfs/dbraw/zinc/06/11/83/522061183.db2.gz OMJAPQJEIQQQDJ-JKSUJKDBSA-N 1 0 263.381 2.403 10 0 CEAERO C[NH2+]C[C@H](CCS(C)(=O)=O)Cc1ccccc1Cl ZINC000052979521 522073792 /nfs/dbraw/zinc/07/37/92/522073792.db2.gz SHSIHLNOZHYXNX-LLVKDONJSA-N 1 0 289.828 2.153 10 0 CEAERO C[NH2+]C[C@H](OC[C@@H]1CCOC1)c1cccc(F)c1 ZINC000050501577 522076460 /nfs/dbraw/zinc/07/64/60/522076460.db2.gz BBXUIENHKGVTAG-RISCZKNCSA-N 1 0 253.317 2.139 10 0 CEAERO C[NH2+]C[C@H](c1ccccc1)N(C)Cc1ccncc1 ZINC000052481043 522078360 /nfs/dbraw/zinc/07/83/60/522078360.db2.gz HIFIDFAQMRRKTD-MRXNPFEDSA-N 1 0 255.365 2.474 10 0 CEAERO C[NH2+]Cc1c(-n2ccc(C(C)C)n2)nc2ccccn21 ZINC000052884904 522097795 /nfs/dbraw/zinc/09/77/95/522097795.db2.gz AEZUAJYFPVTNFH-UHFFFAOYSA-N 1 0 269.352 2.363 10 0 CEAERO C[NH2+]Cc1c(C)nn([C@@H]2CCCCC[C@@H]2O)c1C ZINC000054600443 522099768 /nfs/dbraw/zinc/09/97/68/522099768.db2.gz LXPBCCHCCCTAJL-KGLIPLIRSA-N 1 0 251.374 2.085 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(Cc2ccc(C(N)=S)cc2)CC1 ZINC000055066686 522126521 /nfs/dbraw/zinc/12/65/21/522126521.db2.gz JGAWNWIFCDBMON-CYBMUJFWSA-N 1 0 291.464 2.237 10 0 CEAERO C[NH2+]Cc1cnc(-c2nccc3ccccc32)nc1 ZINC000069316182 522145498 /nfs/dbraw/zinc/14/54/98/522145498.db2.gz YTRICTIQGBXQLZ-UHFFFAOYSA-N 1 0 250.305 2.411 10 0 CEAERO C[NH2+]Cc1sc(N2CCN(C3CC3)CC2)nc1C1CC1 ZINC000069181764 522166348 /nfs/dbraw/zinc/16/63/48/522166348.db2.gz WCVSYYPZYLJKSG-UHFFFAOYSA-N 1 0 292.452 2.024 10 0 CEAERO C[NH2+]Cc1sc(N2CCOC(C)(C)C2)nc1C1CC1 ZINC000069179931 522167396 /nfs/dbraw/zinc/16/73/96/522167396.db2.gz WHDHRERHMZWVJV-UHFFFAOYSA-N 1 0 281.425 2.355 10 0 CEAERO CC[C@H](C[NH2+]C(C)(C)C)N1CCN(c2ccccn2)CC1 ZINC000052418566 522188381 /nfs/dbraw/zinc/18/83/81/522188381.db2.gz CFLSPZQQRARAMZ-OAHLLOKOSA-N 1 0 290.455 2.370 10 0 CEAERO COC[C@@H](C)N(C)c1c(C[NH2+]C(C)(C)C)c(C)nn1C ZINC000062737312 522218138 /nfs/dbraw/zinc/21/81/38/522218138.db2.gz GBOWIGXWOUODJH-LLVKDONJSA-N 1 0 282.432 2.088 10 0 CEAERO COC[C@@H](C)[NH2+]CCN(Cc1cccs1)C1CC1 ZINC000053445750 522250899 /nfs/dbraw/zinc/25/08/99/522250899.db2.gz KPEDYPOZINPSPX-GFCCVEGCSA-N 1 0 268.426 2.337 10 0 CEAERO COC(=O)c1ccccc1C[NH2+][C@@H](CN(C)C)C(C)C ZINC000049198112 522263792 /nfs/dbraw/zinc/26/37/92/522263792.db2.gz XXBZZUJDOJJBHO-HNNXBMFYSA-N 1 0 278.396 2.149 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(NC(=O)N2CCCC[C@@H]2CO)cc1 ZINC000048859443 522332201 /nfs/dbraw/zinc/33/22/01/522332201.db2.gz UJQXCRYZZPMVQC-SWLSCSKDSA-N 1 0 291.395 2.346 10 0 CEAERO CC[C@H]([NH3+])Cc1cc(C)c(OCCCC(=O)NC)c(C)c1 ZINC000068820123 522333202 /nfs/dbraw/zinc/33/32/02/522333202.db2.gz GCWIMQAGNVNFCX-HNNXBMFYSA-N 1 0 292.423 2.488 10 0 CEAERO CC[C@H]([NH3+])Cc1ccnc(Cc2cccc(F)c2)n1 ZINC000054834981 522335486 /nfs/dbraw/zinc/33/54/86/522335486.db2.gz VCLWLNZYAXZVHY-ZDUSSCGKSA-N 1 0 259.328 2.486 10 0 CEAERO CC[C@H]([NH3+])Cc1nccn1CCOCCC(C)C ZINC000062803175 522337059 /nfs/dbraw/zinc/33/70/59/522337059.db2.gz AWHXYJQEGCEROK-ZDUSSCGKSA-N 1 0 253.390 2.226 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C(C)C)c1ccco1 ZINC000061595163 522338819 /nfs/dbraw/zinc/33/88/19/522338819.db2.gz NRZNZANTWFBOGR-GXSJLCMTSA-N 1 0 296.396 2.316 10 0 CEAERO C[NH2+][C@@H](C)c1nnn(-c2ccc(OC)c(C)c2)c1C ZINC000049531938 522340032 /nfs/dbraw/zinc/34/00/32/522340032.db2.gz VRVBOGPWCBQUDJ-JTQLQIEISA-N 1 0 260.341 2.173 10 0 CEAERO CC[C@H]([NH3+])c1ccc(OC[C@@H](O)C(F)(F)F)cc1 ZINC000068875663 522345660 /nfs/dbraw/zinc/34/56/60/522345660.db2.gz HSNJOUFVVDKLRF-WDEREUQCSA-N 1 0 263.259 2.398 10 0 CEAERO CN(C)c1nccc(N(CCC[NH3+])c2ccccc2F)n1 ZINC000068689995 522360909 /nfs/dbraw/zinc/36/09/09/522360909.db2.gz IDPRTIUCCJANKW-UHFFFAOYSA-N 1 0 289.358 2.169 10 0 CEAERO CCc1nc(N2C[C@@H](C)OC(C)(C)C2)sc1C[NH2+]C ZINC000055000488 522389585 /nfs/dbraw/zinc/38/95/85/522389585.db2.gz LJHPHOMAUKHPQA-SNVBAGLBSA-N 1 0 283.441 2.429 10 0 CEAERO C[NH2+][C@@H]1CCO[C@](C)(c2ccc3c(c2)OCCCO3)C1 ZINC000070341761 522395286 /nfs/dbraw/zinc/39/52/86/522395286.db2.gz ZDXWREUILUBWJT-CJNGLKHVSA-N 1 0 277.364 2.462 10 0 CEAERO C[NH2+][C@@H]1COc2cc(OC[C@@H](O)c3ccccc3)ccc21 ZINC000062804277 522401266 /nfs/dbraw/zinc/40/12/66/522401266.db2.gz WKKFXWKDFWKXSP-HZPDHXFCSA-N 1 0 285.343 2.452 10 0 CEAERO CN[C@@](C[NH+]1CCC2(CCCC2)CC1)(C(=O)OC)C1CC1 ZINC000069232588 522424291 /nfs/dbraw/zinc/42/42/91/522424291.db2.gz WYDXRHGKWKCKQR-QGZVFWFLSA-N 1 0 294.439 2.184 10 0 CEAERO C[NH2+][C@H](C)c1ccc(C)cc1OC[C@@H](O)COC(C)C ZINC000070099638 522446804 /nfs/dbraw/zinc/44/68/04/522446804.db2.gz HBTDABAAUXZOPY-KGLIPLIRSA-N 1 0 281.396 2.440 10 0 CEAERO C[NH2+][C@H](CN(C)Cc1nccn1C)c1ccccc1C ZINC000062251282 522466003 /nfs/dbraw/zinc/46/60/03/522466003.db2.gz NSIAIEZIFDYQLN-OAHLLOKOSA-N 1 0 272.396 2.121 10 0 CEAERO CCc1nc2cc(NC(=O)[C@H](C)C3C[NH2+]C3)ccc2o1 ZINC000164140556 522493204 /nfs/dbraw/zinc/49/32/04/522493204.db2.gz VXMKQONFNYVPAG-SECBINFHSA-N 1 0 273.336 2.184 10 0 CEAERO C[NH2+][C@H]1CCCc2nc(N3CCOC(C)(C)C3)sc21 ZINC000054904528 522499407 /nfs/dbraw/zinc/49/94/07/522499407.db2.gz XHPUGKYPEAAYPM-JTQLQIEISA-N 1 0 281.425 2.355 10 0 CEAERO CCc1nc2ccccc2n1[C@H](C)C[C@](C)([NH2+]C)C(N)=O ZINC000068650216 522506438 /nfs/dbraw/zinc/50/64/38/522506438.db2.gz RRFKXJGTTPNYAL-BZNIZROVSA-N 1 0 288.395 2.013 10 0 CEAERO CN[C@](C[N@H+](C)C1CCC(C)CC1)(C(=O)OC)C1CC1 ZINC000069146437 522524477 /nfs/dbraw/zinc/52/44/77/522524477.db2.gz HTRKEAHVNMEHOQ-PXCJXSSVSA-N 1 0 282.428 2.038 10 0 CEAERO CC[C@H]([NH2+]C)c1ccccc1OCCC(=O)OC ZINC000069317015 522555905 /nfs/dbraw/zinc/55/59/05/522555905.db2.gz HYMPYZFHBUUPLK-LBPRGKRZSA-N 1 0 251.326 2.299 10 0 CEAERO COC[C@H](C)[NH2+]CCn1cc(-c2ccccc2)cn1 ZINC000054962375 522625274 /nfs/dbraw/zinc/62/52/74/522625274.db2.gz MUISRCPMKBVNMB-ZDUSSCGKSA-N 1 0 259.353 2.175 10 0 CEAERO CNc1ccc(Cl)cc1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000050779372 522629197 /nfs/dbraw/zinc/62/91/97/522629197.db2.gz LNKZXTJQQCQUOD-NSHDSACASA-N 1 0 293.798 2.348 10 0 CEAERO CNc1nc2cc(OC)ccc2cc1C[N@H+](C)CCOC ZINC000050817493 522687528 /nfs/dbraw/zinc/68/75/28/522687528.db2.gz AXTQDIPHZZYELC-UHFFFAOYSA-N 1 0 289.379 2.363 10 0 CEAERO COC[C@H](O)CN(C)c1ccc(F)cc1C[NH2+]CC(C)C ZINC000062737683 522782731 /nfs/dbraw/zinc/78/27/31/522782731.db2.gz AGHYYKFFMREBEF-OAHLLOKOSA-N 1 0 298.402 2.015 10 0 CEAERO CN(CC[NH2+]C1CCOCC1)c1ccccc1F ZINC000062767821 522864931 /nfs/dbraw/zinc/86/49/31/522864931.db2.gz DRZNTDXMWYZCFI-UHFFFAOYSA-N 1 0 252.333 2.031 10 0 CEAERO CN(CC[NH2+]CCc1cccs1)Cc1cccnc1 ZINC000053383518 522865745 /nfs/dbraw/zinc/86/57/45/522865745.db2.gz JDUDLRSJAOABCO-UHFFFAOYSA-N 1 0 275.421 2.407 10 0 CEAERO COc1cc(OC)cc([C@@H](O)[C@H]([NH3+])CC(C)C)c1 ZINC000054929292 522878585 /nfs/dbraw/zinc/87/85/85/522878585.db2.gz QNQZYNYABGGRKK-ZIAGYGMSSA-N 1 0 253.342 2.111 10 0 CEAERO CN(CC[C@H]1CCCC[NH2+]1)C(=O)CC[C@H]1CCCCO1 ZINC000069388415 522936047 /nfs/dbraw/zinc/93/60/47/522936047.db2.gz VPWOUQUGWBQFJB-HUUCEWRRSA-N 1 0 282.428 2.326 10 0 CEAERO CC[C@@H](Oc1ccc(C[NH2+]C(C)(C)C)cc1OC)C(N)=O ZINC000062731820 523040642 /nfs/dbraw/zinc/04/06/42/523040642.db2.gz CAGPVRXGWPOIAE-GFCCVEGCSA-N 1 0 294.395 2.226 10 0 CEAERO CCn1c(=O)[nH]nc1Sc1ccc([C@H](C)[NH2+]C)cc1F ZINC000061595850 523096476 /nfs/dbraw/zinc/09/64/76/523096476.db2.gz RFUCOFLPSHTCNL-QMMMGPOBSA-N 1 0 296.371 2.162 10 0 CEAERO COc1ccc(-c2nc(C(C)(C)[NH3+])no2)cc1F ZINC000061669632 523191579 /nfs/dbraw/zinc/19/15/79/523191579.db2.gz ODDWBKGSIDZGRA-UHFFFAOYSA-N 1 0 251.261 2.078 10 0 CEAERO CN(Cc1ccc(F)cc1)[C@@]1(C[NH3+])CCCSC1 ZINC000061590118 523253350 /nfs/dbraw/zinc/25/33/50/523253350.db2.gz BZMUOXSKVNZWKX-CQSZACIVSA-N 1 0 268.401 2.482 10 0 CEAERO CC[C@H]1COCCN1[C@@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000050596698 523336442 /nfs/dbraw/zinc/33/64/42/523336442.db2.gz IIVQKEGQUHFXTK-GJZGRUSLSA-N 1 0 278.396 2.114 10 0 CEAERO CC[C@H]1COCCN1c1cccc(C[NH2+]CC(C)C)n1 ZINC000051446835 523338997 /nfs/dbraw/zinc/33/89/97/523338997.db2.gz HRTXFPSNDJLXPN-HNNXBMFYSA-N 1 0 277.412 2.442 10 0 CEAERO CC[C@H]1CO[C@H](C)CN1c1nc(C)c([C@@H](C)[NH3+])s1 ZINC000054898138 523354451 /nfs/dbraw/zinc/35/44/51/523354451.db2.gz NLWYECRMOWJASB-KKZNHRDASA-N 1 0 269.414 2.475 10 0 CEAERO CCn1cc(CN(C)C2(C[NH3+])CCC(C)CC2)cn1 ZINC000050539247 523366377 /nfs/dbraw/zinc/36/63/77/523366377.db2.gz SGZJKTAPNTUVFC-UHFFFAOYSA-N 1 0 264.417 2.242 10 0 CEAERO CCn1cc(COc2cccc3c2CC[C@H]3[NH3+])cn1 ZINC000062798485 523392480 /nfs/dbraw/zinc/39/24/80/523392480.db2.gz SMFDWLDNXAUEGI-CQSZACIVSA-N 1 0 257.337 2.428 10 0 CEAERO CCn1cc(C[C@@H]([NH3+])Cc2cccc(OC)c2)cn1 ZINC000050543016 523394310 /nfs/dbraw/zinc/39/43/10/523394310.db2.gz LJKZVMRZAYPUMA-AWEZNQCLSA-N 1 0 259.353 2.024 10 0 CEAERO CC[C@@H]1CN([C@@H](C[NH3+])c2ccc3ncccc3c2)CCO1 ZINC000069502485 523466724 /nfs/dbraw/zinc/46/67/24/523466724.db2.gz OYBARVPNVZYEQT-WBVHZDCISA-N 1 0 285.391 2.345 10 0 CEAERO CN(Cc1ccsc1)C(=O)C1(C)CC[NH2+]CC1 ZINC000062839824 523483990 /nfs/dbraw/zinc/48/39/90/523483990.db2.gz GIJCIPJIHYXMDS-UHFFFAOYSA-N 1 0 252.383 2.096 10 0 CEAERO CC[C@@H]1COCCN1c1c(C[NH2+]CC(C)C)c(C)nn1C ZINC000062736309 523502589 /nfs/dbraw/zinc/50/25/89/523502589.db2.gz OTLWUGCGZMHHQC-CQSZACIVSA-N 1 0 294.443 2.089 10 0 CEAERO CC[C@@H]1CO[C@@H](C)CN1[C@@H](C[NH2+]C)c1ccccc1 ZINC000052571253 523507451 /nfs/dbraw/zinc/50/74/51/523507451.db2.gz RJAOAYGZLIAXQQ-IMJJTQAJSA-N 1 0 262.397 2.446 10 0 CEAERO CCn1ccnc1-c1cc(OC)c(OC)cc1C[NH3+] ZINC000069474305 523511388 /nfs/dbraw/zinc/51/13/88/523511388.db2.gz IDGXHWQUWNECBT-UHFFFAOYSA-N 1 0 261.325 2.046 10 0 CEAERO CC[C@@H]1CO[C@H](C)CN1c1nc(C)c(C[NH2+]C)s1 ZINC000055001392 523520195 /nfs/dbraw/zinc/52/01/95/523520195.db2.gz UXPOLAFODZCEDP-MWLCHTKSSA-N 1 0 269.414 2.175 10 0 CEAERO CCn1ccnc1COc1cccc2c1CC[C@@H]2[NH3+] ZINC000062798516 523542434 /nfs/dbraw/zinc/54/24/34/523542434.db2.gz YXAZTEUFOZPQMO-ZDUSSCGKSA-N 1 0 257.337 2.428 10 0 CEAERO CCn1ccnc1Cn1ccnc1C[NH2+]C(C)(C)C ZINC000054743867 523547762 /nfs/dbraw/zinc/54/77/62/523547762.db2.gz XYCXQQGHSGWZSA-UHFFFAOYSA-N 1 0 261.373 2.036 10 0 CEAERO CN(Cc1[nH+]c(NN)ccc1Cl)C1CCCC1 ZINC000061639080 523556439 /nfs/dbraw/zinc/55/64/39/523556439.db2.gz BVZGXTLDWPCPTF-UHFFFAOYSA-N 1 0 254.765 2.395 10 0 CEAERO COC(=O)[C@@H](C)n1c(N)[nH+]c2cc(Cl)ccc21 ZINC000049360968 523561314 /nfs/dbraw/zinc/56/13/14/523561314.db2.gz OHIXEEJLLKJWMS-ZCFIWIBFSA-N 1 0 253.689 2.006 10 0 CEAERO COC(=O)[C@@H](CC[NH+]1CCC(C(C)(C)C)CC1)NC1CC1 ZINC000062530677 523571140 /nfs/dbraw/zinc/57/11/40/523571140.db2.gz JZEWNYRGCXEDAK-OAHLLOKOSA-N 1 0 296.455 2.428 10 0 CEAERO CO[C@@H]1CCC[C@@H](OC(=O)CCC2CC[NH2+]CC2)C1 ZINC000070323000 523616381 /nfs/dbraw/zinc/61/63/81/523616381.db2.gz HMEUKRDZJMEOHC-ZIAGYGMSSA-N 1 0 269.385 2.267 10 0 CEAERO CN1CCC[C@@H]([N@H+](C)[C@@H](CC(N)=S)c2ccccc2)C1 ZINC000055025503 523623208 /nfs/dbraw/zinc/62/32/08/523623208.db2.gz BITPOXUEERTMJK-CABCVRRESA-N 1 0 291.464 2.430 10 0 CEAERO CN(c1cccc(Br)n1)C1CC[NH+](C)CC1 ZINC000069017392 523644068 /nfs/dbraw/zinc/64/40/68/523644068.db2.gz DQJMZGTXXSXGBY-UHFFFAOYSA-N 1 0 284.201 2.375 10 0 CEAERO CC[C@@]1(C(=O)N(C)Cc2cccc(OC)c2)CC[NH2+]C1 ZINC000062894408 523690505 /nfs/dbraw/zinc/69/05/05/523690505.db2.gz JNAOKAZLCSTDGY-MRXNPFEDSA-N 1 0 276.380 2.043 10 0 CEAERO CC[C@@]1(C(=O)N[C@@H](C)c2cccc(O)c2)CCC[NH2+]C1 ZINC000062854671 523696626 /nfs/dbraw/zinc/69/66/26/523696626.db2.gz ZVEGLFXOCWRUNB-BLLLJJGKSA-N 1 0 276.380 2.349 10 0 CEAERO CC[C@@]1(C(=O)Nc2ccc(N(C)C)cc2)CCC[NH2+]C1 ZINC000062854393 523698431 /nfs/dbraw/zinc/69/84/31/523698431.db2.gz ZTZHHAVTFVKZKI-MRXNPFEDSA-N 1 0 275.396 2.471 10 0 CEAERO CCc1c(C)nn(CC[NH2+][C@H](C)[C@H]2CCCO2)c1C ZINC000053540885 523715037 /nfs/dbraw/zinc/71/50/37/523715037.db2.gz ZIJOTMHOLCPJRS-IUODEOHRSA-N 1 0 265.401 2.219 10 0 CEAERO CC[C@@]1(C)CN(Cc2ccc(OC)c(OC)c2)CC[NH2+]1 ZINC000068693122 523716556 /nfs/dbraw/zinc/71/65/56/523716556.db2.gz AKZBVIUCGIEVSQ-INIZCTEOSA-N 1 0 278.396 2.278 10 0 CEAERO COCC[NH+](CCOC)C[C@@H]1C[C@H](C(C)C)CCC1=O ZINC000054559291 523717360 /nfs/dbraw/zinc/71/73/60/523717360.db2.gz ZAGRHOKCJWHGSV-CABCVRRESA-N 1 0 285.428 2.223 10 0 CEAERO COc1ccc(C(=O)N[C@H]2CCCCC[C@@H]2[NH3+])c(OC)c1 ZINC000063211006 523736280 /nfs/dbraw/zinc/73/62/80/523736280.db2.gz KGNUILJJUSEJHB-KBPBESRZSA-N 1 0 292.379 2.094 10 0 CEAERO COc1ccc(C)cc1-c1nnc(CC[NH2+]C2CC2)o1 ZINC000052944080 523799218 /nfs/dbraw/zinc/79/92/18/523799218.db2.gz MMQAFWMUKTXJJJ-UHFFFAOYSA-N 1 0 273.336 2.348 10 0 CEAERO COc1ccc(C)cc1C(=O)N[C@H]1CCCC[C@@H]1[NH3+] ZINC000052943817 523802980 /nfs/dbraw/zinc/80/29/80/523802980.db2.gz ABGBPXKBELZUPD-STQMWFEESA-N 1 0 262.353 2.003 10 0 CEAERO COC(=O)[C@@](C)(C[C@@H](C)[N@H+](C)[C@@H](C)C1CC1)NC(C)C ZINC000068625478 523815086 /nfs/dbraw/zinc/81/50/86/523815086.db2.gz SRJIANJWLPRZNA-DVOMOZLQSA-N 1 0 284.444 2.425 10 0 CEAERO COc1ccc(C)cc1Cn1ccnc1C[C@@H](C)[NH3+] ZINC000062802907 523817861 /nfs/dbraw/zinc/81/78/61/523817861.db2.gz BMLHTBAJKVUHBB-GFCCVEGCSA-N 1 0 259.353 2.138 10 0 CEAERO COC(=O)[C@@](C[N@@H+]1CCCC1(C)C)(NC(C)C)C1CC1 ZINC000069232880 523822605 /nfs/dbraw/zinc/82/26/05/523822605.db2.gz XHNDDXDSSVFCGN-INIZCTEOSA-N 1 0 282.428 2.181 10 0 CEAERO COC(=O)[C@@](C[N@H+](CC(C)C)C1CC1)(NC1CC1)C1CC1 ZINC000069132018 523823270 /nfs/dbraw/zinc/82/32/70/523823270.db2.gz DMKQJAMTXPOXCO-KRWDZBQOSA-N 1 0 294.439 2.181 10 0 CEAERO CCc1ccc(-n2nnnc2C[NH2+]C(C)(C)C)cc1 ZINC000054744371 523869694 /nfs/dbraw/zinc/86/96/94/523869694.db2.gz OSPYQTARSFIGMU-UHFFFAOYSA-N 1 0 259.357 2.113 10 0 CEAERO CC[C@H](C)C[N@H+](C)Cc1cccnc1C(N)=S ZINC000061659714 523869999 /nfs/dbraw/zinc/86/99/99/523869999.db2.gz DCVYJYKPMIJDMP-JTQLQIEISA-N 1 0 251.399 2.194 10 0 CEAERO COCC[NH2+]CC1(Cc2ccccc2OC)CCOCC1 ZINC000061674664 523935638 /nfs/dbraw/zinc/93/56/38/523935638.db2.gz PATUKOJTHYVSTP-UHFFFAOYSA-N 1 0 293.407 2.271 10 0 CEAERO COCC[NH2+]C[C@@H]1C[C@@H]1c1cccc(OC)c1OC ZINC000054598617 523941408 /nfs/dbraw/zinc/94/14/08/523941408.db2.gz RUQJQBIGWYPRJV-AAEUAGOBSA-N 1 0 265.353 2.043 10 0 CEAERO COCC[NH2+]C[C@H](C)Sc1ccccc1OC ZINC000053647285 523942444 /nfs/dbraw/zinc/94/24/44/523942444.db2.gz CGBIQESYFAKYRW-NSHDSACASA-N 1 0 255.383 2.412 10 0 CEAERO COCC[NH2+]C[C@H](Cc1cnn(C)c1)Cc1ccccc1 ZINC000054659719 523943886 /nfs/dbraw/zinc/94/38/86/523943886.db2.gz ZNFFXCDCCYJLRP-INIZCTEOSA-N 1 0 287.407 2.058 10 0 CEAERO COCC[NH2+]Cc1c(C)nc(CC(C)C)nc1C ZINC000054854567 523945546 /nfs/dbraw/zinc/94/55/46/523945546.db2.gz PDDWBNSDNRRCGX-UHFFFAOYSA-N 1 0 251.374 2.028 10 0 CEAERO COCC[NH2+]C[C@]1(CCc2scnc2C)CCOC1 ZINC000054666480 523946152 /nfs/dbraw/zinc/94/61/52/523946152.db2.gz LESGMOAJZNLCHC-AWEZNQCLSA-N 1 0 284.425 2.027 10 0 CEAERO COCC[NH2+]C[C@](O)(Cc1ccccc1)c1ccccc1 ZINC000055033645 523946489 /nfs/dbraw/zinc/94/64/89/523946489.db2.gz UTJNUYFICXAOFQ-GOSISDBHSA-N 1 0 285.387 2.353 10 0 CEAERO COCC[NH2+]Cc1cc(F)ccc1N(C)C1CC1 ZINC000062735118 523949794 /nfs/dbraw/zinc/94/97/94/523949794.db2.gz FKZQZNWUSVTBKN-UHFFFAOYSA-N 1 0 252.333 2.160 10 0 CEAERO CC[C@H](C)[NH+]1CCN(Cc2ccc(C)c(N)c2)CC1 ZINC000055083494 523956252 /nfs/dbraw/zinc/95/62/52/523956252.db2.gz GRHWTDKUEUMFGW-AWEZNQCLSA-N 1 0 261.413 2.493 10 0 CEAERO COCC[NH2+]Cc1cnc(-c2ccccc2C)nc1 ZINC000054856818 523957514 /nfs/dbraw/zinc/95/75/14/523957514.db2.gz SWVANGGYFRZFPD-UHFFFAOYSA-N 1 0 257.337 2.188 10 0 CEAERO CO[C@H](c1nc([C@H]2CCC[NH2+]C2)no1)c1ccccc1 ZINC000062256618 523959962 /nfs/dbraw/zinc/95/99/62/523959962.db2.gz XHSVQPHKPBJKII-STQMWFEESA-N 1 0 273.336 2.272 10 0 CEAERO CC[C@H](C)[NH+]1CCN(c2ccc(C(N)=S)cc2)CC1 ZINC000055080607 523961104 /nfs/dbraw/zinc/96/11/04/523961104.db2.gz XNSASPVTUNQKPU-LBPRGKRZSA-N 1 0 277.437 2.241 10 0 CEAERO COCC[NH2+][C@H](CO)c1csc2ccccc21 ZINC000054465933 523961625 /nfs/dbraw/zinc/96/16/25/523961625.db2.gz JKGWXIDMMYTQCX-GFCCVEGCSA-N 1 0 251.351 2.171 10 0 CEAERO CC[C@H](C)NC(=O)NCC1CC[NH+](CC(C)C)CC1 ZINC000062507503 523977469 /nfs/dbraw/zinc/97/74/69/523977469.db2.gz VIEHYLIKFHFEMM-ZDUSSCGKSA-N 1 0 269.433 2.452 10 0 CEAERO CO[C@H]1CCC[C@H](OC(=O)C2CCC([NH3+])CC2)C1 ZINC000070323399 523983858 /nfs/dbraw/zinc/98/38/58/523983858.db2.gz BHPCFIBNWRELEP-TYUFSLCMSA-N 1 0 255.358 2.005 10 0 CEAERO CO[C@H]1CCC[C@H](Oc2cc3c(cc2CC[NH3+])OCO3)C1 ZINC000070338571 523983941 /nfs/dbraw/zinc/98/39/41/523983941.db2.gz SLIVZMAORKAUAY-STQMWFEESA-N 1 0 293.363 2.253 10 0 CEAERO CN(C)C(=O)C[NH2+]C1c2ccccc2Cc2ccccc21 ZINC000061669821 523992953 /nfs/dbraw/zinc/99/29/53/523992953.db2.gz CRSVZYOPICNSDY-UHFFFAOYSA-N 1 0 280.371 2.358 10 0 CEAERO COC(=O)[C@](C)(C[C@H](C)[N@H+](C)[C@@H](C)C1CC1)NC(C)C ZINC000068625482 524000309 /nfs/dbraw/zinc/00/03/09/524000309.db2.gz SRJIANJWLPRZNA-XEZPLFJOSA-N 1 0 284.444 2.425 10 0 CEAERO COC(=O)[C@](C)([NH3+])CCSc1cccc(OC)c1 ZINC000045558302 524000992 /nfs/dbraw/zinc/00/09/92/524000992.db2.gz OCGVVXSRQXEYPO-CYBMUJFWSA-N 1 0 269.366 2.068 10 0 CEAERO COC(=O)[C@](C)(N)C[C@H](C)[NH+]1CCC(C(C)(C)C)CC1 ZINC000068641448 524002878 /nfs/dbraw/zinc/00/28/78/524002878.db2.gz DSDRRBBCAILKDN-BLLLJJGKSA-N 1 0 284.444 2.414 10 0 CEAERO COC(=O)[C@](C[N@H+](CC(C)C)C1CC1)(NC1CC1)C1CC1 ZINC000069132017 524004858 /nfs/dbraw/zinc/00/48/58/524004858.db2.gz DMKQJAMTXPOXCO-QGZVFWFLSA-N 1 0 294.439 2.181 10 0 CEAERO CCc1ccc(O[C@@H](C)C[C@](C)([NH2+]C2CC2)C(N)=O)cc1 ZINC000068655630 524008353 /nfs/dbraw/zinc/00/83/53/524008353.db2.gz DCOQTBOUVOICJX-SJCJKPOMSA-N 1 0 290.407 2.402 10 0 CEAERO COc1ccc(CN(C)[C@]2(C[NH3+])CCCSC2)cc1 ZINC000061590131 524010746 /nfs/dbraw/zinc/01/07/46/524010746.db2.gz VQBVWRJWXOWKMC-HNNXBMFYSA-N 1 0 280.437 2.352 10 0 CEAERO CNC(=O)CCCOc1cc(C)ccc1[C@@H](C)[NH2+]C ZINC000068817076 524065250 /nfs/dbraw/zinc/06/52/50/524065250.db2.gz UGWUKQGOJPHDPB-GFCCVEGCSA-N 1 0 264.369 2.180 10 0 CEAERO CNC(=O)[C@@H](C)Oc1c(C[NH2+]C(C)(C)C)cccc1OC ZINC000062732210 524080752 /nfs/dbraw/zinc/08/07/52/524080752.db2.gz RWTDYPCMKMNELF-LLVKDONJSA-N 1 0 294.395 2.097 10 0 CEAERO COc1ccc(C[NH2+][C@@H](CN(C)C)C(C)C)c(OC)c1 ZINC000049195080 524083876 /nfs/dbraw/zinc/08/38/76/524083876.db2.gz BUMQVMBFQQTOAW-HNNXBMFYSA-N 1 0 280.412 2.380 10 0 CEAERO COc1ccc(COCc2cccnc2C[NH3+])cc1 ZINC000061657404 524117553 /nfs/dbraw/zinc/11/75/53/524117553.db2.gz SOFJFNNDBSRFTB-UHFFFAOYSA-N 1 0 258.321 2.266 10 0 CEAERO Cc1cccc(-c2nnc(CC[NH2+]C(C)(C)C)o2)n1 ZINC000050620550 524124024 /nfs/dbraw/zinc/12/40/24/524124024.db2.gz SBGMYXONYPTKQD-UHFFFAOYSA-N 1 0 260.341 2.371 10 0 CEAERO C[C@@H](C(=O)N1CC[NH+](CC(C)(C)C)CC1)C1CC1 ZINC000062455916 524124872 /nfs/dbraw/zinc/12/48/72/524124872.db2.gz RETHXCCFOVWTQB-GFCCVEGCSA-N 1 0 252.402 2.223 10 0 CEAERO C[C@H]1CCC[C@@H](C(=O)N(C)Cc2ccccc2F)[NH2+]1 ZINC000048874350 524125438 /nfs/dbraw/zinc/12/54/38/524125438.db2.gz ACLKHEJRSRVQCQ-FZMZJTMJSA-N 1 0 264.344 2.315 10 0 CEAERO COc1cccc([C@@H]2[C@H](C[NH2+]C(C)C)OCCN2C)c1 ZINC000070286213 524132886 /nfs/dbraw/zinc/13/28/86/524132886.db2.gz GYOXCWFFIQOIQR-JKSUJKDBSA-N 1 0 278.396 2.065 10 0 CEAERO C[C@H]1CCC[C@H](C(=O)N[C@@H]2CCOc3ccccc32)[NH2+]1 ZINC000051987957 524179838 /nfs/dbraw/zinc/17/98/38/524179838.db2.gz AMPBCARAIFWUAC-IACUBPJLSA-N 1 0 274.364 2.157 10 0 CEAERO Cc1cc(C)c(C(N)=[NH2+])c(-n2ncc3ccccc32)n1 ZINC000050526152 524218308 /nfs/dbraw/zinc/21/83/08/524218308.db2.gz WBLYIOBAASFYFO-UHFFFAOYSA-N 1 0 265.320 2.321 10 0 CEAERO C[C@@H]1CCC[N@H+](CC(=O)Nc2cc(F)ccc2N)[C@@H]1C ZINC000050563204 524218358 /nfs/dbraw/zinc/21/83/58/524218358.db2.gz DZIMRETZADIYDU-GHMZBOCLSA-N 1 0 279.359 2.467 10 0 CEAERO C[C@@H]1CCCN(Cc2nnc(-c3cccs3)o2)[C@@H]1C[NH3+] ZINC000070178009 524239297 /nfs/dbraw/zinc/23/92/97/524239297.db2.gz MEIGZGBHQSCUQI-GHMZBOCLSA-N 1 0 292.408 2.357 10 0 CEAERO COc1ccc(Cl)cc1[C@](O)([C@@H](C)[NH3+])C(F)(F)F ZINC000062784394 524256371 /nfs/dbraw/zinc/25/63/71/524256371.db2.gz ZQTSTTNCTGQJAO-LHLIQPBNSA-N 1 0 283.677 2.446 10 0 CEAERO C[C@@H]1CCC[C@@H](C(=O)N(C)Cc2ccccc2F)[NH2+]1 ZINC000048874347 524264691 /nfs/dbraw/zinc/26/46/91/524264691.db2.gz ACLKHEJRSRVQCQ-RISCZKNCSA-N 1 0 264.344 2.315 10 0 CEAERO C[C@@H]1CCC[C@@H](C(=O)NCCC2CCCC2)[C@@H]1[NH3+] ZINC000055130609 524267007 /nfs/dbraw/zinc/26/70/07/524267007.db2.gz BZKQRKMUYNXXLA-MRVWCRGKSA-N 1 0 252.402 2.446 10 0 CEAERO COc1ccccc1-c1nc(C)cc(C[C@H](C)[NH3+])n1 ZINC000054835480 524278925 /nfs/dbraw/zinc/27/89/25/524278925.db2.gz ZWNYIFJSPLYCKD-JTQLQIEISA-N 1 0 257.337 2.350 10 0 CEAERO C[C@H]1CC[C@@H](C(=O)N(C)Cc2ccc(F)cc2)C[NH2+]1 ZINC000048876088 524328114 /nfs/dbraw/zinc/32/81/14/524328114.db2.gz PVXRGAPBBXBNSX-WCQYABFASA-N 1 0 264.344 2.172 10 0 CEAERO C[C@H]1CC[C@@H](C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)O1 ZINC000150774281 524332694 /nfs/dbraw/zinc/33/26/94/524332694.db2.gz AEUUBLPAQOTBQH-XGUBFFRZSA-N 1 0 296.455 2.427 10 0 CEAERO C[C@H](CN1CCCCC1)[NH2+]CCOCC(F)(F)F ZINC000049501062 524334089 /nfs/dbraw/zinc/33/40/89/524334089.db2.gz FGNRWYHGXJDRBD-LLVKDONJSA-N 1 0 268.323 2.029 10 0 CEAERO COc1ccccc1CN(C)Cc1cc[nH+]c(NN)c1 ZINC000052720404 524436981 /nfs/dbraw/zinc/43/69/81/524436981.db2.gz DLSLYUXHDFXKBC-UHFFFAOYSA-N 1 0 272.352 2.008 10 0 CEAERO Cc1cc(C)cc(OCCN2[C@@H](C)C[NH2+]C[C@@H]2C)c1 ZINC000069134422 524448100 /nfs/dbraw/zinc/44/81/00/524448100.db2.gz DQBHJBFFKGMCIP-GJZGRUSLSA-N 1 0 262.397 2.364 10 0 CEAERO C[C@@H](CC[NH+](C)C)N[C@H](c1ccco1)c1nccn1C ZINC000049554134 524479063 /nfs/dbraw/zinc/47/90/63/524479063.db2.gz BZHSQFQADJEEBM-GXTWGEPZSA-N 1 0 276.384 2.032 10 0 CEAERO COc1ccc(NC(=O)C[C@@H]2CCC[NH2+]C2)c(OC)c1 ZINC000054290045 524519869 /nfs/dbraw/zinc/51/98/69/524519869.db2.gz XNAGMDFGAQAUJS-NSHDSACASA-N 1 0 278.352 2.032 10 0 CEAERO Cc1cccc(N2CCN(Cc3occc3C[NH3+])CC2)c1 ZINC000052418937 524558280 /nfs/dbraw/zinc/55/82/80/524558280.db2.gz MPTSVZCIJSOFQY-UHFFFAOYSA-N 1 0 285.391 2.369 10 0 CEAERO Cc1cccc(NC(=O)CCC[N@@H+](C)C[C@@H](C)O)c1 ZINC000051837250 524585442 /nfs/dbraw/zinc/58/54/42/524585442.db2.gz GTUHXDVSMJGIHU-CYBMUJFWSA-N 1 0 264.369 2.026 10 0 CEAERO C[C@@H](C[NH3+])c1noc(-c2cccc(OC(F)F)c2)n1 ZINC000054158535 524587801 /nfs/dbraw/zinc/58/78/01/524587801.db2.gz MQVWUONINUFQIJ-ZETCQYMHSA-N 1 0 269.251 2.400 10 0 CEAERO C[C@@H](C[NH+]1CCCC1)Nc1ccc(N)c(OCC2CC2)n1 ZINC000049152324 524594841 /nfs/dbraw/zinc/59/48/41/524594841.db2.gz OYOCXVLIRYXNPF-LBPRGKRZSA-N 1 0 290.411 2.349 10 0 CEAERO C[C@H]1CN(CCn2cccn2)[C@H](C2CCCCC2)C[NH2+]1 ZINC000068699263 524602790 /nfs/dbraw/zinc/60/27/90/524602790.db2.gz STYKPWLCDWTSFK-HOCLYGCPSA-N 1 0 276.428 2.126 10 0 CEAERO COc1ccc(NC(=O)[C@@](C)([NH3+])c2ccccc2)cc1O ZINC000052881940 524603870 /nfs/dbraw/zinc/60/38/70/524603870.db2.gz HTIYBPCKBWEKJX-INIZCTEOSA-N 1 0 286.331 2.213 10 0 CEAERO C[C@H]1CN(Cc2ccc(Br)o2)C[C@H](C)[NH2+]1 ZINC000069627739 524616143 /nfs/dbraw/zinc/61/61/43/524616143.db2.gz LONKRCIFGLGCTB-IUCAKERBSA-N 1 0 273.174 2.224 10 0 CEAERO C[C@H](C[C@@](C)(NC1CC1)C(N)=O)[NH+]1CCCCCCC1 ZINC000068617426 524630388 /nfs/dbraw/zinc/63/03/88/524630388.db2.gz JFONVAIXRIMPIC-CZUORRHYSA-N 1 0 281.444 2.027 10 0 CEAERO C[C@H](C[C@@](C)([NH3+])C(=O)[O-])[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000068641723 524631580 /nfs/dbraw/zinc/63/15/80/524631580.db2.gz BKVNPIILZCFOCT-IVMMDQJWSA-N 1 0 276.380 2.057 10 0 CEAERO C[C@H]1CN([C@@H](C[NH3+])c2cccc3cccnc32)C[C@H](C)O1 ZINC000069502190 524664524 /nfs/dbraw/zinc/66/45/24/524664524.db2.gz PQMICXSTELCUNF-XEZPLFJOSA-N 1 0 285.391 2.344 10 0 CEAERO C[C@@H]1CC[C@H](C[NH3+])CN1c1cc2ccccc2c(=O)[nH]1 ZINC000070183385 524671265 /nfs/dbraw/zinc/67/12/65/524671265.db2.gz MOJJUSFHBIHWDA-VXGBXAGGSA-N 1 0 271.364 2.092 10 0 CEAERO Cc1cccc(NS(=O)(=O)CC2CC[NH2+]CC2)c1C ZINC000049642144 524690961 /nfs/dbraw/zinc/69/09/61/524690961.db2.gz WNEIFODAPSERCI-UHFFFAOYSA-N 1 0 282.409 2.045 10 0 CEAERO Cc1cc(CN2CCOC[C@@H]2C)oc1C[NH2+]C(C)C ZINC000052476171 524699186 /nfs/dbraw/zinc/69/91/86/524699186.db2.gz CYCJEXGPHLNWSU-ZDUSSCGKSA-N 1 0 266.385 2.307 10 0 CEAERO C[C@H](Cc1ccco1)NC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000052881882 524745029 /nfs/dbraw/zinc/74/50/29/524745029.db2.gz PEFCCAWJSPLNAT-WBMJQRKESA-N 1 0 272.348 2.201 10 0 CEAERO Cc1cccc(O[C@@H](C)C[C@@](C)([NH2+]C2CC2)C(N)=O)c1 ZINC000068656216 524775693 /nfs/dbraw/zinc/77/56/93/524775693.db2.gz YRWCCWBEURXZJR-BLLLJJGKSA-N 1 0 276.380 2.148 10 0 CEAERO Cc1cc(C[NH2+][C@H](C)C(=O)N2CCCCC2)c(C)n1C ZINC000052790358 524775928 /nfs/dbraw/zinc/77/59/28/524775928.db2.gz BSKSPJPDVHNVDU-CYBMUJFWSA-N 1 0 277.412 2.133 10 0 CEAERO Cc1ccc(F)c(C(=O)N2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000052998668 524785879 /nfs/dbraw/zinc/78/58/79/524785879.db2.gz NLCMELUAIFGRCD-GJZGRUSLSA-N 1 0 276.355 2.491 10 0 CEAERO C[C@H]([NH3+])C(=O)Nc1cc(Br)ccc1Cl ZINC000061692441 524825259 /nfs/dbraw/zinc/82/52/59/524825259.db2.gz XPDDVUHELJYITP-YFKPBYRVSA-N 1 0 277.549 2.388 10 0 CEAERO C[C@@H](C[C@@](C)([NH2+]C1CC1)C(=O)[O-])[N@@H+]1CCCC(C)(C)C1 ZINC000068647794 524853020 /nfs/dbraw/zinc/85/30/20/524853020.db2.gz HHMDSXLAGXMBSB-BLLLJJGKSA-N 1 0 282.428 2.482 10 0 CEAERO C[C@H]([NH3+])[C@H]1CCCN(c2cc3ccccc3c(=O)[nH]2)C1 ZINC000070175207 524859590 /nfs/dbraw/zinc/85/95/90/524859590.db2.gz LVGCAKTZEQPNNF-AAEUAGOBSA-N 1 0 271.364 2.092 10 0 CEAERO C[C@H](NC(=O)CC[C@H]1CCCC[NH2+]1)c1cccc(O)c1 ZINC000050943506 524935507 /nfs/dbraw/zinc/93/55/07/524935507.db2.gz RXTYKJJMMOCWKP-GXTWGEPZSA-N 1 0 276.380 2.492 10 0 CEAERO COc1ncccc1C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000061442705 525042176 /nfs/dbraw/zinc/04/21/76/525042176.db2.gz DJNWJQXVGIJVBP-JTQLQIEISA-N 1 0 271.320 2.362 10 0 CEAERO C[C@@H]1CN(c2nc(-c3ccccc3)c(C[NH3+])s2)CCO1 ZINC000054995763 525072227 /nfs/dbraw/zinc/07/22/27/525072227.db2.gz DIVGAHCQLMAKNF-LLVKDONJSA-N 1 0 289.404 2.494 10 0 CEAERO C[C@@H](NC(=O)CC[C@@H]1CCCC[NH2+]1)c1ccco1 ZINC000050942222 525088573 /nfs/dbraw/zinc/08/85/73/525088573.db2.gz RKGIAZUUESLNBR-NEPJUHHUSA-N 1 0 250.342 2.379 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H](C)N1C(=O)Cc1ccccc1Cl ZINC000069133270 525099457 /nfs/dbraw/zinc/09/94/57/525099457.db2.gz PMHANHAVHRLUNO-PHIMTYICSA-N 1 0 266.772 2.091 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C)N1Cc1csc(-c2ccccn2)n1 ZINC000069134822 525099916 /nfs/dbraw/zinc/09/99/16/525099916.db2.gz CQMDGPJYNHGUAV-VXGBXAGGSA-N 1 0 288.420 2.387 10 0 CEAERO CS(=O)(=O)C[C@@H]([NH3+])c1ccc(-c2ccccc2)cc1 ZINC000054930082 525133877 /nfs/dbraw/zinc/13/38/77/525133877.db2.gz SBDWMNKFZYUCOM-OAHLLOKOSA-N 1 0 275.373 2.398 10 0 CEAERO C[C@]([NH3+])(C(=O)N(CC(F)(F)F)C1CC1)c1ccccc1 ZINC000052882947 525141848 /nfs/dbraw/zinc/14/18/48/525141848.db2.gz NRRZNVMSAMVQNC-CYBMUJFWSA-N 1 0 286.297 2.414 10 0 CEAERO C[C@H](NC(=O)[C@H]([NH3+])Cc1ccccc1)c1ccsc1 ZINC000061366290 525167554 /nfs/dbraw/zinc/16/75/54/525167554.db2.gz TXCQZQFIEPIFOJ-SMDDNHRTSA-N 1 0 274.389 2.495 10 0 CEAERO Cc1ccccc1CSC[C@@H]([NH2+]C(C)C)C(N)=O ZINC000054964767 525183301 /nfs/dbraw/zinc/18/33/01/525183301.db2.gz KDOCAZHCAYUTJI-CYBMUJFWSA-N 1 0 266.410 2.080 10 0 CEAERO COc1ccc([C@@H]([NH3+])COC2CCC2)cc1OC ZINC000050520126 525191042 /nfs/dbraw/zinc/19/10/42/525191042.db2.gz ZRHBEBUEVCCGNZ-LBPRGKRZSA-N 1 0 251.326 2.273 10 0 CEAERO Cc1ccccc1C[C@H](CCS(C)(=O)=O)C[NH2+]C1CC1 ZINC000052978936 525198498 /nfs/dbraw/zinc/19/84/98/525198498.db2.gz VRFCAKXWIARYPP-AWEZNQCLSA-N 1 0 295.448 2.340 10 0 CEAERO Cc1ccccc1NCC[N@H+]1CCC[C@H]1CN(C)C ZINC000061655188 525269574 /nfs/dbraw/zinc/26/95/74/525269574.db2.gz ZTFFKXVFDBGRCS-HNNXBMFYSA-N 1 0 261.413 2.433 10 0 CEAERO COc1ccc([C@@H]2[C@H]([NH3+])CC(=O)N2C(C)(C)C)c(OC)c1 ZINC000070294075 525274823 /nfs/dbraw/zinc/27/48/23/525274823.db2.gz DUZQUOWVBOFPKO-IUODEOHRSA-N 1 0 292.379 2.103 10 0 CEAERO COc1ccc([C@@H]2[C@H](C[NH2+]C(C)C)OCCN2C)cc1 ZINC000070286181 525274995 /nfs/dbraw/zinc/27/49/95/525274995.db2.gz IQRLZPGXFKJGAZ-JKSUJKDBSA-N 1 0 278.396 2.065 10 0 CEAERO COc1ccc([C@H](C)NC(=O)C[NH2+]C(C)(C)C)cc1 ZINC000048462484 525305666 /nfs/dbraw/zinc/30/56/66/525305666.db2.gz XVERARHRRXDBLE-NSHDSACASA-N 1 0 264.369 2.261 10 0 CEAERO C[C@H]([NH2+]CCN1CCN(c2ccccc2F)CC1)C1CC1 ZINC000053342866 525352938 /nfs/dbraw/zinc/35/29/38/525352938.db2.gz BILJBVMJGYZBKC-AWEZNQCLSA-N 1 0 291.414 2.336 10 0 CEAERO Cc1ccc(OC[C@@]([NH3+])(C(N)=O)C2CC2)c(C(C)(C)C)c1 ZINC000069196917 525433201 /nfs/dbraw/zinc/43/32/01/525433201.db2.gz FRAPDKYNQFHOOK-KRWDZBQOSA-N 1 0 290.407 2.264 10 0 CEAERO Cc1cc(S[C@@H](c2ccccn2)[C@@H](C)[NH3+])n(C)n1 ZINC000052309222 525438959 /nfs/dbraw/zinc/43/89/59/525438959.db2.gz SMLDCGQVUAKNJT-ZWNOBZJWSA-N 1 0 262.382 2.304 10 0 CEAERO Cc1cc(S[C@H](c2ccccn2)[C@@H](C)[NH3+])n(C)n1 ZINC000052309226 525440780 /nfs/dbraw/zinc/44/07/80/525440780.db2.gz SMLDCGQVUAKNJT-MFKMUULPSA-N 1 0 262.382 2.304 10 0 CEAERO Cc1ccc(O[C@@H](C)C[C@@](C)([NH2+]C2CC2)C(N)=O)c(C)c1 ZINC000068655176 525462246 /nfs/dbraw/zinc/46/22/46/525462246.db2.gz QNOVECKNYOHGMV-SUMWQHHRSA-N 1 0 290.407 2.457 10 0 CEAERO COc1ccc([S@](=O)C2CCC([NH3+])CC2)cc1 ZINC000055144805 525474220 /nfs/dbraw/zinc/47/42/20/525474220.db2.gz GNZPHBVJWSTHBW-QHQKPKPBSA-N 1 0 253.367 2.073 10 0 CEAERO Cc1ccn(-c2c(C[NH2+]C(C)(C)C)c(C)nn2C)n1 ZINC000062738923 525555237 /nfs/dbraw/zinc/55/52/37/525555237.db2.gz ZKOCMONCCYLCSK-UHFFFAOYSA-N 1 0 261.373 2.111 10 0 CEAERO C[C@@H]1[C@@H](C)CCCN1C(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000051091732 525637540 /nfs/dbraw/zinc/63/75/40/525637540.db2.gz VZEIFBUTDLYAOR-DTWKUNHWSA-N 1 0 282.775 2.281 10 0 CEAERO C[C@@H]([NH2+][C@H](C(=O)[O-])c1ccccc1)C1CC[NH+](C)CC1 ZINC000050509508 525655933 /nfs/dbraw/zinc/65/59/33/525655933.db2.gz SHGPUTGMIQCHLP-DOMZBBRYSA-N 1 0 276.380 2.132 10 0 CEAERO CSC[C@H](C)C[NH2+]Cc1ccc(C(N)=O)cc1F ZINC000069447613 525680821 /nfs/dbraw/zinc/68/08/21/525680821.db2.gz VJXHDOAJUFUFCO-SECBINFHSA-N 1 0 270.373 2.013 10 0 CEAERO CSC[C@H](C)C[NH2+]C[C@@H](O)c1ccc2c(c1)OCO2 ZINC000069447943 525680839 /nfs/dbraw/zinc/68/08/39/525680839.db2.gz RCHHJIXBUBOJQY-ZYHUDNBSSA-N 1 0 283.393 2.037 10 0 CEAERO CSC[C@H](C)C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000069448029 525681560 /nfs/dbraw/zinc/68/15/60/525681560.db2.gz KDMKSIWFCNVUOZ-ZWNOBZJWSA-N 1 0 257.374 2.448 10 0 CEAERO COc1cccc(-c2noc(C[C@H]3CCC[NH2+]C3)n2)c1 ZINC000054301408 525737814 /nfs/dbraw/zinc/73/78/14/525737814.db2.gz IBVSTYDTTLPVBP-LLVKDONJSA-N 1 0 273.336 2.287 10 0 CEAERO Cc1ccc([C@@H](C)n2nnnc2C[NH2+]C(C)C)cc1 ZINC000054747982 525755940 /nfs/dbraw/zinc/75/59/40/525755940.db2.gz HPWMQJMEJXIKAV-GFCCVEGCSA-N 1 0 259.357 2.089 10 0 CEAERO Cc1ccsc1C(=O)N1[C@@H](C)CCC[C@H]1C[NH3+] ZINC000070151776 525820966 /nfs/dbraw/zinc/82/09/66/525820966.db2.gz WOXUXJIOGNBAPP-QWRGUYRKSA-N 1 0 252.383 2.398 10 0 CEAERO Cc1ccc(-c2nnc(CC[NH2+]C(C)C)o2)cc1O ZINC000050620285 525844527 /nfs/dbraw/zinc/84/45/27/525844527.db2.gz FSSGOBIQZSGGKX-UHFFFAOYSA-N 1 0 261.325 2.291 10 0 CEAERO C[C@@H](O)c1ccc(NC(=O)N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061655761 525869094 /nfs/dbraw/zinc/86/90/94/525869094.db2.gz RJYMUFMWIZPTJF-IUODEOHRSA-N 1 0 291.395 2.298 10 0 CEAERO COc1cccc(CN2CC[NH2+]C[C@@H]2C2CCCCC2)n1 ZINC000068697060 525947800 /nfs/dbraw/zinc/94/78/00/525947800.db2.gz RJWTUXIIYRPSJV-MRXNPFEDSA-N 1 0 289.423 2.444 10 0 CEAERO C[C@H](Oc1cccc2c1CC[C@@H]2[NH3+])C(=O)N1CCCC1 ZINC000062798670 525950802 /nfs/dbraw/zinc/95/08/02/525950802.db2.gz QNWIPCRSFUARFZ-FZMZJTMJSA-N 1 0 274.364 2.022 10 0 CEAERO Cc1ccc([C@H](O)CNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])cc1 ZINC000262928477 525976860 /nfs/dbraw/zinc/97/68/60/525976860.db2.gz HOONSOYROJBHGE-BFYDXBDKSA-N 1 0 290.407 2.052 10 0 CEAERO Cc1ccc([C@H](Sc2n[nH]c(=O)n2C(C)C)[C@H](C)[NH3+])o1 ZINC000061595171 525977835 /nfs/dbraw/zinc/97/78/35/525977835.db2.gz NOQITNUWZPHLSN-GXSJLCMTSA-N 1 0 296.396 2.234 10 0 CEAERO C[C@H](c1ccccc1F)N(C)CC[NH2+]C[C@@H]1CCOC1 ZINC000062021068 526116085 /nfs/dbraw/zinc/11/60/85/526116085.db2.gz YSLHUBCLLQJSEG-KGLIPLIRSA-N 1 0 280.387 2.445 10 0 CEAERO COc1cccc(N2CCCC[C@H]2C[NH2+]C2CC2)n1 ZINC000069051590 526143029 /nfs/dbraw/zinc/14/30/29/526143029.db2.gz AZEIRCAHULJIOP-ZDUSSCGKSA-N 1 0 261.369 2.201 10 0 CEAERO C[C@H](CC(N)=O)C[C@@H]([NH3+])c1ccc2c(c1)CC(C)(C)O2 ZINC000061830733 526259826 /nfs/dbraw/zinc/25/98/26/526259826.db2.gz BEVYXBXPWPLDFL-GXFFZTMASA-N 1 0 276.380 2.302 10 0 CEAERO C[C@H]1CCCN(C(=O)C2CCC(C[NH3+])CC2)[C@H]1C ZINC000055148167 526263926 /nfs/dbraw/zinc/26/39/26/526263926.db2.gz WJGXPJJKHOWPAO-FEPKRQSRSA-N 1 0 252.402 2.399 10 0 CEAERO O=C([O-])[C@@H]1CCC[C@@H]1[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000062753258 526275687 /nfs/dbraw/zinc/27/56/87/526275687.db2.gz OVEAGUBHBIESJN-CABCVRRESA-N 1 0 280.412 2.190 10 0 CEAERO Fc1cc(C[NH2+][C@H]2CN3CCC2CC3)cc(F)c1F ZINC000062705671 526298350 /nfs/dbraw/zinc/29/83/50/526298350.db2.gz QSPZJUNYUZMMHV-ZDUSSCGKSA-N 1 0 270.298 2.288 10 0 CEAERO O=C(NCC[NH+]1CCCCC1)c1cccc2c1NCCC2 ZINC000050957989 526307841 /nfs/dbraw/zinc/30/78/41/526307841.db2.gz OVVKJCBGDKAJSS-UHFFFAOYSA-N 1 0 287.407 2.260 10 0 CEAERO c1ccc(CN2CC[C@@H]([NH2+]CC3CCOCC3)C2)cc1 ZINC000052177391 526470748 /nfs/dbraw/zinc/47/07/48/526470748.db2.gz KKDWXVMMXGFKCY-QGZVFWFLSA-N 1 0 274.408 2.277 10 0 CEAERO c1ccc([C@@H]2CN(Cc3ccccn3)CC[NH2+]2)cc1 ZINC000068693506 526493611 /nfs/dbraw/zinc/49/36/11/526493611.db2.gz MWLTVYNPTWUZKA-INIZCTEOSA-N 1 0 253.349 2.228 10 0 CEAERO c1ccc2[nH]c(CN3CCC[C@H]3[C@@H]3CCC[NH2+]3)nc2c1 ZINC000051359853 526499602 /nfs/dbraw/zinc/49/96/02/526499602.db2.gz RXBUYLZZFXEMPU-GJZGRUSLSA-N 1 0 270.380 2.279 10 0 CEAERO c1cn(-c2cccc(C[NH2+]C3CC3)n2)nc1C1CC1 ZINC000052885215 526525537 /nfs/dbraw/zinc/52/55/37/526525537.db2.gz RPCFCTQNAHXKPV-UHFFFAOYSA-N 1 0 254.337 2.397 10 0 CEAERO c1cnc(N2CCC([NH2+]CC3CCCC3)CC2)nc1 ZINC000050271591 526540915 /nfs/dbraw/zinc/54/09/15/526540915.db2.gz VDIJACZTISVRJE-UHFFFAOYSA-N 1 0 260.385 2.225 10 0 CEAERO c1csc(-c2n[nH]c(CCC3CC[NH2+]CC3)n2)c1 ZINC000054700275 526574358 /nfs/dbraw/zinc/57/43/58/526574358.db2.gz SZPFKILMJKDEBH-UHFFFAOYSA-N 1 0 262.382 2.465 10 0 CEAERO Cc1nc(-c2cnccn2)nc(C)c1CC[NH2+]CC(C)C ZINC000054853960 526620217 /nfs/dbraw/zinc/62/02/17/526620217.db2.gz GRQYXGGZPBXJTR-UHFFFAOYSA-N 1 0 285.395 2.339 10 0 CEAERO Cc1nc(-c2cnccn2)nc(C)c1[C@H](C)C[NH2+]C1CC1 ZINC000054855055 526620403 /nfs/dbraw/zinc/62/04/03/526620403.db2.gz JBSANCLKRWDEHX-SNVBAGLBSA-N 1 0 283.379 2.406 10 0 CEAERO O=C(c1ccc(F)c(F)c1)N1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000051358757 526687340 /nfs/dbraw/zinc/68/73/40/526687340.db2.gz POMAAVMXMQMATH-KGLIPLIRSA-N 1 0 280.318 2.321 10 0 CEAERO Cc1nc(C2(c3ccccc3)CC2)[nH+]c(NN)c1C ZINC000062782183 526770612 /nfs/dbraw/zinc/77/06/12/526770612.db2.gz TVAWEEUPDBRGIF-UHFFFAOYSA-N 1 0 254.337 2.459 10 0 CEAERO NC(=[NH2+])c1cc(Cl)ccc1N1CCCC[C@@H]1CCO ZINC000052860004 526821177 /nfs/dbraw/zinc/82/11/77/526821177.db2.gz IYRINSMCONBHSV-LLVKDONJSA-N 1 0 281.787 2.365 10 0 CEAERO Cc1nc(CNC[C@@H]2Cc3ccccc3C[NH2+]2)cs1 ZINC000049539062 526888012 /nfs/dbraw/zinc/88/80/12/526888012.db2.gz NHXZXBWQRYXTKI-AWEZNQCLSA-N 1 0 273.405 2.256 10 0 CEAERO Cc1ncc(C[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)[nH]1 ZINC000054822223 526892823 /nfs/dbraw/zinc/89/28/23/526892823.db2.gz LMWXXOSJMVOOBC-SECBINFHSA-N 1 0 273.340 2.060 10 0 CEAERO Cc1nc(Cc2noc(C3([NH3+])CCCC3)n2)cs1 ZINC000055273582 526930438 /nfs/dbraw/zinc/93/04/38/526930438.db2.gz BJMHHBKHKFRBSZ-UHFFFAOYSA-N 1 0 264.354 2.153 10 0 CEAERO Cc1nc(N2CCCC2)nc(C)c1CC[NH2+]C(C)C ZINC000054853827 526964126 /nfs/dbraw/zinc/96/41/26/526964126.db2.gz LWRHKPRHUXSTJK-UHFFFAOYSA-N 1 0 262.401 2.234 10 0 CEAERO Cc1nc(N2CCOCC2(C)C)sc1[C@@H](C)[NH3+] ZINC000054898400 526970987 /nfs/dbraw/zinc/97/09/87/526970987.db2.gz SFPPSLXKTDHDKV-MRVPVSSYSA-N 1 0 255.387 2.086 10 0 CEAERO NC(=O)c1ccc(N[C@H]2CCCC[C@H]2[NH3+])c(Cl)c1 ZINC000062791324 527069015 /nfs/dbraw/zinc/06/90/15/527069015.db2.gz UVTSLIOGNOAVIK-PWSUYJOCSA-N 1 0 267.760 2.121 10 0 CEAERO NC(=S)c1cc(Cl)ccc1N[C@H]1C[NH+]2CCC1CC2 ZINC000052857728 527115222 /nfs/dbraw/zinc/11/52/22/527115222.db2.gz DACWGLYKVNLDMA-ZDUSSCGKSA-N 1 0 295.839 2.480 10 0 CEAERO [NH3+]C/C=C/c1cc(Br)c2c(c1)OCCO2 ZINC000069050194 527124904 /nfs/dbraw/zinc/12/49/04/527124904.db2.gz YOQXTMPFKNSDGT-OWOJBTEDSA-N 1 0 270.126 2.192 10 0 CEAERO [NH3+]CCC1CCN(c2nncc3ccccc32)CC1 ZINC000053705728 527170709 /nfs/dbraw/zinc/17/07/09/527170709.db2.gz WSVIAYXSHDBIIA-UHFFFAOYSA-N 1 0 256.353 2.195 10 0 CEAERO CC(=O)c1c(F)cccc1NC[C@@H](O)C[NH+]1CCCCC1 ZINC000174684319 527176106 /nfs/dbraw/zinc/17/61/06/527176106.db2.gz SPZCQCMUODNIDH-CYBMUJFWSA-N 1 0 294.370 2.287 10 0 CEAERO [NH3+]CCCc1noc([C@H]2CCCc3ccccc32)n1 ZINC000054669692 527184613 /nfs/dbraw/zinc/18/46/13/527184613.db2.gz PUZKMIHOMVOPFW-ZDUSSCGKSA-N 1 0 257.337 2.429 10 0 CEAERO [NH3+]CCOc1ccccc1NC(=O)CC[C@H]1CCCCO1 ZINC000069383384 527189955 /nfs/dbraw/zinc/18/99/55/527189955.db2.gz MFNAYKXKYPTYHU-CYBMUJFWSA-N 1 0 292.379 2.312 10 0 CEAERO [NH3+]CCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000054740898 527197589 /nfs/dbraw/zinc/19/75/89/527197589.db2.gz VCTZFDFEHCJBAB-UHFFFAOYSA-N 1 0 269.270 2.451 10 0 CEAERO [NH3+]C[C@@H]1CCN(Cc2noc(-c3ccccc3Cl)n2)C1 ZINC000050248569 527218136 /nfs/dbraw/zinc/21/81/36/527218136.db2.gz NXLAXEZGDJLVIY-JTQLQIEISA-N 1 0 292.770 2.171 10 0 CEAERO [NH3+]C[C@@H]1CC[C@@H](COc2ccc(Br)cc2)O1 ZINC000052664244 527218405 /nfs/dbraw/zinc/21/84/05/527218405.db2.gz BSJBDNKNIGAIRM-RYUDHWBXSA-N 1 0 286.169 2.334 10 0 CEAERO [NH3+]C[C@@]1(N(Cc2ccco2)C2CC2)CCCSC1 ZINC000061590249 527222750 /nfs/dbraw/zinc/22/27/50/527222750.db2.gz PPIBAXHLZWQNOA-AWEZNQCLSA-N 1 0 266.410 2.469 10 0 CEAERO Cn1cc(C[C@@H]([NH3+])c2cccc(Br)c2)cn1 ZINC000050542458 527229028 /nfs/dbraw/zinc/22/90/28/527229028.db2.gz KFZLLPNQHPESAH-GFCCVEGCSA-N 1 0 280.169 2.425 10 0 CEAERO [NH3+]C[C@H](Oc1cccc(F)c1F)c1ccncc1 ZINC000062612923 527229301 /nfs/dbraw/zinc/22/93/01/527229301.db2.gz BVMWKZGVHSMJQD-LBPRGKRZSA-N 1 0 250.248 2.439 10 0 CEAERO [NH3+]Cc1cc(C(F)(F)F)ccc1N1CCCOCC1 ZINC000061912781 527247740 /nfs/dbraw/zinc/24/77/40/527247740.db2.gz AVJOJTIRVPGEPG-UHFFFAOYSA-N 1 0 274.286 2.391 10 0 CEAERO [NH3+]Cc1ccc(F)cc1Cn1c(=O)cnc2ccccc21 ZINC000069401917 527254496 /nfs/dbraw/zinc/25/44/96/527254496.db2.gz OBCTXCSURSFMSQ-UHFFFAOYSA-N 1 0 283.306 2.043 10 0 CEAERO [NH3+]Cc1cnc2ccccc2c1N1CCC[C@@H]1CCCO ZINC000052756746 527263579 /nfs/dbraw/zinc/26/35/79/527263579.db2.gz IGMFSAJBUZBTTI-CQSZACIVSA-N 1 0 285.391 2.435 10 0 CEAERO O=C(Nc1ccc2c(c1)CCO2)c1ccc2c(c1)C[NH2+]C2 ZINC000156696629 527276711 /nfs/dbraw/zinc/27/67/11/527276711.db2.gz AKMUWXKHCKAGBG-UHFFFAOYSA-N 1 0 280.327 2.477 10 0 CEAERO NNc1ccc(C(=O)NCc2ccc(F)c(Cl)c2)c[nH+]1 ZINC000053162161 527276976 /nfs/dbraw/zinc/27/69/76/527276976.db2.gz NEVVUCPZTYTJFT-UHFFFAOYSA-N 1 0 294.717 2.090 10 0 CEAERO NNc1ccc(Cl)c(CSc2nncs2)[nH+]1 ZINC000061640099 527280339 /nfs/dbraw/zinc/28/03/39/527280339.db2.gz KAKPDNCVHDFPRO-UHFFFAOYSA-N 1 0 273.774 2.164 10 0 CEAERO O=C(Cc1ccccc1F)N1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000051358468 527287745 /nfs/dbraw/zinc/28/77/45/527287745.db2.gz XLWICQRQAHQASJ-HUUCEWRRSA-N 1 0 276.355 2.111 10 0 CEAERO [NH3+][C@@H](c1cncnc1)c1ccccc1Br ZINC000052887390 527338434 /nfs/dbraw/zinc/33/84/34/527338434.db2.gz VPPOOTXFHLHUHR-NSHDSACASA-N 1 0 264.126 2.287 10 0 CEAERO Cc1nccc(C[NH2+][C@@H](Cn2ccnc2)C(C)(C)C)n1 ZINC000054790644 527339254 /nfs/dbraw/zinc/33/92/54/527339254.db2.gz BGSAUHOZWJVFQS-AWEZNQCLSA-N 1 0 273.384 2.186 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@H]1NC(=O)Cc1c[nH]c2ccccc12 ZINC000063211583 527341888 /nfs/dbraw/zinc/34/18/88/527341888.db2.gz KBSWNNRZKXZVHH-GDBMZVCRSA-N 1 0 285.391 2.487 10 0 CEAERO Cc1nccc(N2CCC[C@@H](C[NH2+]C(C)(C)C)C2)n1 ZINC000054937665 527344768 /nfs/dbraw/zinc/34/47/68/527344768.db2.gz KJNVHHLXMWMLOJ-ZDUSSCGKSA-N 1 0 262.401 2.390 10 0 CEAERO [NH3+][C@H](Cc1ccc(Br)cc1)[C@H]1CCOC1 ZINC000048627517 527388136 /nfs/dbraw/zinc/38/81/36/527388136.db2.gz QBGHPTHMSTYDRH-CMPLNLGQSA-N 1 0 270.170 2.355 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)Cc1cccc(Cl)c1 ZINC000052945301 527397997 /nfs/dbraw/zinc/39/79/97/527397997.db2.gz QNQWYKUTDIZSJN-QWHCGFSZSA-N 1 0 266.772 2.269 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1NC(=O)[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000063172221 527407962 /nfs/dbraw/zinc/40/79/62/527407962.db2.gz NQKMXWBNVHAUJY-QKPAOTATSA-N 1 0 288.391 2.150 10 0 CEAERO [NH3+][C@H]1COc2cc(OCc3cn4ccccc4n3)ccc21 ZINC000062803739 527417252 /nfs/dbraw/zinc/41/72/52/527417252.db2.gz HAVDCMIXPOTQKY-AWEZNQCLSA-N 1 0 281.315 2.306 10 0 CEAERO Nc1cc(Br)cnc1NCC[NH+]1CCCCC1 ZINC000049574731 527441841 /nfs/dbraw/zinc/44/18/41/527441841.db2.gz AYBCYDYFISCNPI-UHFFFAOYSA-N 1 0 299.216 2.324 10 0 CEAERO Cn1ccnc1[C@@H]([NH3+])Cc1ccc(F)cc1Cl ZINC000069473873 527450223 /nfs/dbraw/zinc/45/02/23/527450223.db2.gz TXHBZKNZTFXQBE-NSHDSACASA-N 1 0 253.708 2.455 10 0 CEAERO Nc1cc(Cl)ccc1CN1CC[NH+](CC2CC2)CC1 ZINC000050443083 527451340 /nfs/dbraw/zinc/45/13/40/527451340.db2.gz PJWZMRHVALRYNU-UHFFFAOYSA-N 1 0 279.815 2.450 10 0 CEAERO Cc1ncn(C[C@@H]2CC[C@H](C[NH2+]C(C)(C)C)O2)c1C ZINC000052593723 527462639 /nfs/dbraw/zinc/46/26/39/527462639.db2.gz YXZWUPSHNJGJOU-KGLIPLIRSA-N 1 0 265.401 2.436 10 0 CEAERO OCC1(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)CCOCC1 ZINC000052199434 527522779 /nfs/dbraw/zinc/52/27/79/527522779.db2.gz WYRYYEICPJUYEL-GJZGRUSLSA-N 1 0 267.413 2.430 10 0 CEAERO OCCn1c2ccccc2nc1CC[C@H]1CCCC[NH2+]1 ZINC000050927010 527576385 /nfs/dbraw/zinc/57/63/85/527576385.db2.gz BNUDTQWXWLGPTE-CYBMUJFWSA-N 1 0 273.380 2.103 10 0 CEAERO FC(F)(F)CN1CCN(CCC[NH2+]C2CCCC2)CC1 ZINC000053498987 527667489 /nfs/dbraw/zinc/66/74/89/527667489.db2.gz AXBDKRUDHPZQSC-UHFFFAOYSA-N 1 0 293.377 2.089 10 0 CEAERO FC(F)(F)COCCC[NH2+]CCN1CCCCC1 ZINC000049575116 527668657 /nfs/dbraw/zinc/66/86/57/527668657.db2.gz XMGDLVJFBIYQHE-UHFFFAOYSA-N 1 0 268.323 2.031 10 0 CEAERO FC(F)(F)COCC[C@]1(C[NH2+]C2CC2)CCOC1 ZINC000054665375 527670742 /nfs/dbraw/zinc/67/07/42/527670742.db2.gz XOMDDYNUCGEUOZ-NSHDSACASA-N 1 0 267.291 2.114 10 0 CEAERO FC(F)(F)[C@H]1CCCC[C@@H]1[NH2+]CCCN1CCOCC1 ZINC000069389091 527678463 /nfs/dbraw/zinc/67/84/63/527678463.db2.gz RRFBEQPIVRGYHW-STQMWFEESA-N 1 0 294.361 2.419 10 0 CEAERO CCOCCC1(C(=O)N[C@H]2CCC[N@H+](CC)C2)CCC1 ZINC000178465324 528609796 /nfs/dbraw/zinc/60/97/96/528609796.db2.gz SEVUOKRTJVONGO-AWEZNQCLSA-N 1 0 282.428 2.184 10 0 CEAERO CCOCC[N@@H+]1CCN(C(=O)C(CC)CC)C[C@H]1CC ZINC000116769366 528732970 /nfs/dbraw/zinc/73/29/70/528732970.db2.gz CECLYPKOEDQJIO-OAHLLOKOSA-N 1 0 284.444 2.382 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC1(C)CCC1 ZINC000176642680 529095222 /nfs/dbraw/zinc/09/52/22/529095222.db2.gz YQTIRRMEAZVOSN-ZDUSSCGKSA-N 1 0 267.417 2.302 10 0 CEAERO CC[C@H]1CN(Cc2ccncc2Cl)CC[N@@H+]1CCOC ZINC000173680507 529297900 /nfs/dbraw/zinc/29/79/00/529297900.db2.gz UJSRSUYKCYZCJF-AWEZNQCLSA-N 1 0 297.830 2.278 10 0 CEAERO CC(C)C[NH2+]Cc1cncc(N2CCC(C)CC2)n1 ZINC000091418253 535169430 /nfs/dbraw/zinc/16/94/30/535169430.db2.gz QGLNUXJPIMFDFU-UHFFFAOYSA-N 1 0 262.401 2.459 10 0 CEAERO CCC([NH3+])(CC)CN1CCN(c2ccccc2OC)CC1 ZINC000094245907 535182727 /nfs/dbraw/zinc/18/27/27/535182727.db2.gz TVACELPFTYKCEL-UHFFFAOYSA-N 1 0 291.439 2.335 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccccc1N1CCNC(=O)C1(C)C ZINC000110658498 535185825 /nfs/dbraw/zinc/18/58/25/535185825.db2.gz CIVPIXRVXFUVLM-ZDUSSCGKSA-N 1 0 289.423 2.462 10 0 CEAERO CCC[NH2+][C@H]1CCCN(c2ccccc2OC)C1=O ZINC000071035730 535191845 /nfs/dbraw/zinc/19/18/45/535191845.db2.gz GKCCOYPNYQMIIJ-LBPRGKRZSA-N 1 0 262.353 2.190 10 0 CEAERO CCC[NH2+][C@H](C)c1cc(F)ccc1N1CCN(C)C(=O)C1 ZINC000084204827 535192252 /nfs/dbraw/zinc/19/22/52/535192252.db2.gz UBXZQGBNGCGUGR-GFCCVEGCSA-N 1 0 293.386 2.165 10 0 CEAERO CCC[C@@H](C[NH3+])[C@@H](O)c1ccc2c(c1)CCCN2C ZINC000093083326 535340946 /nfs/dbraw/zinc/34/09/46/535340946.db2.gz MHAVYXUALRPNDA-HOCLYGCPSA-N 1 0 262.397 2.477 10 0 CEAERO CC[NH2+]CC1CCN(c2cnc3ccccc3n2)CC1 ZINC000053664496 535461481 /nfs/dbraw/zinc/46/14/81/535461481.db2.gz IFUCCPSAQGRGAJ-UHFFFAOYSA-N 1 0 270.380 2.456 10 0 CEAERO CC[NH2+]Cc1cc(F)ccc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090906763 535478332 /nfs/dbraw/zinc/47/83/32/535478332.db2.gz JKUBLRYXRVTZTN-OKILXGFUSA-N 1 0 264.344 2.303 10 0 CEAERO C[NH2+][C@@H]1CCN(CC(=O)N2CCCCC2)c2ccccc21 ZINC000071325785 536374937 /nfs/dbraw/zinc/37/49/37/536374937.db2.gz QQXJDRNUFSAYIW-OAHLLOKOSA-N 1 0 287.407 2.170 10 0 CEAERO COc1ncnc(N2CCC[C@@H](C[NH2+]C(C)C)C2)c1C ZINC000090788780 536905522 /nfs/dbraw/zinc/90/55/22/536905522.db2.gz JGNMRGLNUWPFKY-ZDUSSCGKSA-N 1 0 278.400 2.008 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)c1ccc(F)c(F)c1 ZINC000153162229 538885128 /nfs/dbraw/zinc/88/51/28/538885128.db2.gz OMHFEAQCHMBOHO-QPUJVOFHSA-N 1 0 256.296 2.301 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N(C)c1ccc(F)c(F)c1 ZINC000153162137 538885158 /nfs/dbraw/zinc/88/51/58/538885158.db2.gz OMHFEAQCHMBOHO-PRHODGIISA-N 1 0 256.296 2.301 10 0 CEAERO COCC[C@H](C)[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253087354 574504517 /nfs/dbraw/zinc/50/45/17/574504517.db2.gz DBIXAQXTYKXXTL-GBJTYRQASA-N 1 0 255.402 2.427 10 0 CEAERO Cc1c(Br)cccc1CN1CC[C@@H]1C[NH3+] ZINC000757148258 574510580 /nfs/dbraw/zinc/51/05/80/574510580.db2.gz RQZZBICROHJYHO-LLVKDONJSA-N 1 0 269.186 2.291 10 0 CEAERO [NH3+]C[C@@H]1CCN1c1ncc(Br)cc1Cl ZINC000757153026 574510866 /nfs/dbraw/zinc/51/08/66/574510866.db2.gz SLWILDDLYMAZHY-ZETCQYMHSA-N 1 0 276.565 2.035 10 0 CEAERO COc1cc(NC(=O)C[C@H]([NH3+])C(C)C)ccc1F ZINC000160342853 574511317 /nfs/dbraw/zinc/51/13/17/574511317.db2.gz HEFDUUQYFNOLEN-NSHDSACASA-N 1 0 254.305 2.146 10 0 CEAERO Cc1ccc(C[NH2+][C@@H]2CCCN(CCO)C2)cc1Cl ZINC000384697587 574842168 /nfs/dbraw/zinc/84/21/68/574842168.db2.gz JPOGHMRRDNFDGB-CQSZACIVSA-N 1 0 282.815 2.195 10 0 CEAERO CC[C@H]1C[NH2+][C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000725255411 567915090 /nfs/dbraw/zinc/91/50/90/567915090.db2.gz AOVPPVLCLQCUHE-BXUZGUMPSA-N 1 0 254.374 2.386 10 0 CEAERO CCOC(=O)C1(C2CC[NH2+]CC2)CC2(CCC2)C1 ZINC000725273170 570263648 /nfs/dbraw/zinc/26/36/48/570263648.db2.gz ZQVBLNDGXLNRHO-UHFFFAOYSA-N 1 0 251.370 2.500 10 0 CEAERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)O)c(Br)c1 ZINC000309912566 625349141 /nfs/dbraw/zinc/34/91/41/625349141.db2.gz NOCKCJTXRYNXNV-RKDXNWHRSA-N 1 0 288.185 2.317 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CSC(F)(F)F ZINC000177040771 625386901 /nfs/dbraw/zinc/38/69/01/625386901.db2.gz WGSUHICCKKBCMY-VIFPVBQESA-N 1 0 284.347 2.182 10 0 CEAERO C[C@@H]1CN(C(=O)Cc2ccc3ccccc3c2)C[C@@H]1[NH3+] ZINC000235403692 625397474 /nfs/dbraw/zinc/39/74/74/625397474.db2.gz BZQVPWUIXRIXSX-WBMJQRKESA-N 1 0 268.360 2.188 10 0 CEAERO C[C@@H]1C[NH+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@@H](C)O1 ZINC000247026021 622918319 /nfs/dbraw/zinc/91/83/19/622918319.db2.gz JNWIKXMGQUIEAI-MGPQQGTHSA-N 1 0 298.427 2.353 10 0 CEAERO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(Cl)c(C)c1 ZINC000757182902 622956855 /nfs/dbraw/zinc/95/68/55/622956855.db2.gz CCICYYHLSPUGIQ-GHMZBOCLSA-N 1 0 253.729 2.124 10 0 CEAERO O=C(CC[C@H]1CCC[NH2+]1)N1CCC(C(F)(F)F)CC1 ZINC000261583972 623388275 /nfs/dbraw/zinc/38/82/75/623388275.db2.gz HOZFMBQEYKPMJV-LLVKDONJSA-N 1 0 278.318 2.320 10 0 CEAERO CC(C)Cc1ccc([C@@H](C)[NH2+][C@H]2CCC(=O)NC2=O)cc1 ZINC000089755277 623470082 /nfs/dbraw/zinc/47/00/82/623470082.db2.gz RZRYXZGSKBTGPQ-DOMZBBRYSA-N 1 0 288.391 2.341 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000234430775 624027862 /nfs/dbraw/zinc/02/78/62/624027862.db2.gz WUONNKWXYYMVEC-OPRDCNLKSA-N 1 0 266.307 2.079 10 0 CEAERO C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2)C[C@@H]1[NH3+] ZINC000235687735 625709815 /nfs/dbraw/zinc/70/98/15/625709815.db2.gz DZDFVZOXFJJHMM-KWQFWETISA-N 1 0 272.270 2.125 10 0 CEAERO C[C@H](NC(=O)C[NH3+])c1c(Cl)ccc(F)c1Cl ZINC000237622811 624701067 /nfs/dbraw/zinc/70/10/67/624701067.db2.gz SXVDKAHCSFEAQG-YFKPBYRVSA-N 1 0 265.115 2.268 10 0 CEAERO CS[C@@H]1CC[C@H]([NH2+]C[C@@H](O)COCc2ccco2)C1 ZINC000235149190 624849306 /nfs/dbraw/zinc/84/93/06/624849306.db2.gz KVDKJSZQNHDSIP-OUCADQQQSA-N 1 0 285.409 2.031 10 0 CEAERO CC/C(C)=C\CC[N@@H+]1CCN(C)[C@]2(C1)CCNC(=O)CC2 ZINC000219632140 625066338 /nfs/dbraw/zinc/06/63/38/625066338.db2.gz PIDXYYASSVBDIH-GQMMIMOESA-N 1 0 293.455 2.019 10 0 CEAERO CO[C@H](C)C[N@H+](C)C[C@H](O)c1cc2ccccc2o1 ZINC000311328029 627642514 /nfs/dbraw/zinc/64/25/14/627642514.db2.gz FCLGIHRBOHUWHC-YPMHNXCESA-N 1 0 263.337 2.433 10 0 CEAERO [NH3+][C@@H]1CN(c2ncncc2Cl)C[C@H]1c1ccccc1 ZINC000311741216 627695394 /nfs/dbraw/zinc/69/53/94/627695394.db2.gz QRERNNNIYIPUSR-WCQYABFASA-N 1 0 274.755 2.061 10 0 CEAERO COc1ccc([C@@H](C)[NH2+]C2CSC2)cc1OC ZINC000396434676 628226049 /nfs/dbraw/zinc/22/60/49/628226049.db2.gz LJXBRWSNFPHQOX-SECBINFHSA-N 1 0 253.367 2.470 10 0 CEAERO C[C@H](CC[NH2+][C@@H]1COCC1(C)C)NC(=O)OC(C)(C)C ZINC000312982096 628571428 /nfs/dbraw/zinc/57/14/28/628571428.db2.gz QUKWJEOOMFFWAK-VXGBXAGGSA-N 1 0 286.416 2.304 10 0 CEAERO c1cc(Cc2noc(CC3C[C@H]4CC[C@@H](C3)[NH2+]4)n2)ccn1 ZINC000093679519 628694190 /nfs/dbraw/zinc/69/41/90/628694190.db2.gz HQGWYNGVSORFFA-AGUYFDCRSA-N 1 0 284.363 2.129 10 0 CEAERO OCCC[C@H]1CCC[N@@H+]1CC[C@@H](O)c1ccccc1 ZINC000053933688 628764725 /nfs/dbraw/zinc/76/47/25/628764725.db2.gz VVMFBPOAOGNMJF-HZPDHXFCSA-N 1 0 263.381 2.347 10 0 CEAERO Cc1cc(NC(=O)C2CCC([NH3+])CC2)cnc1Cl ZINC000225481857 628891638 /nfs/dbraw/zinc/89/16/38/628891638.db2.gz POYCHGCLTMAFEK-UHFFFAOYSA-N 1 0 267.760 2.499 10 0 CEAERO C[NH2+][C@H](C)CNc1ccc(Br)c(C)n1 ZINC000261529751 628934822 /nfs/dbraw/zinc/93/48/22/628934822.db2.gz UZYLKZKPWOAFOH-SSDOTTSWSA-N 1 0 258.163 2.172 10 0 CEAERO C[C@H]1CN(Cc2cc(Br)ccc2F)C[C@H]1[NH3+] ZINC000261532405 628934847 /nfs/dbraw/zinc/93/48/47/628934847.db2.gz AZNZXMMSXKFPOP-QPUJVOFHSA-N 1 0 287.176 2.367 10 0 CEAERO C[NH2+][C@@H](C)CNc1ccnc2cc(Br)cnc21 ZINC000261552243 628936371 /nfs/dbraw/zinc/93/63/71/628936371.db2.gz MTEOUAIPKZVUNP-QMMMGPOBSA-N 1 0 295.184 2.412 10 0 CEAERO C[NH2+]C[C@@H]1CCCN(c2cncc(Br)c2)C1 ZINC000261561465 628938322 /nfs/dbraw/zinc/93/83/22/628938322.db2.gz AOCKEUNFQKZIDP-JTQLQIEISA-N 1 0 284.201 2.280 10 0 CEAERO C[C@H]1CN(Cc2ccc(F)c3cccnc23)C[C@H]1[NH3+] ZINC000261563127 628939036 /nfs/dbraw/zinc/93/90/36/628939036.db2.gz AAVLFIXLSAMMIQ-IINYFYTJSA-N 1 0 259.328 2.153 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(F)cc3F)C[C@@H]12 ZINC000261582287 628941553 /nfs/dbraw/zinc/94/15/53/628941553.db2.gz RDELJZMNDFDFHX-GAJTVXKRSA-N 1 0 252.308 2.134 10 0 CEAERO CO[C@H](C)c1nsc(N[C@H](C)[C@@H]2CCC[NH2+]C2)n1 ZINC000261590134 628942947 /nfs/dbraw/zinc/94/29/47/628942947.db2.gz WVQWDJZGSGGBNO-OPRDCNLKSA-N 1 0 270.402 2.046 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)Cc1cccc2ccccc21 ZINC000261630958 628953158 /nfs/dbraw/zinc/95/31/58/628953158.db2.gz BIEJUEOIMHMURE-WBMJQRKESA-N 1 0 268.360 2.330 10 0 CEAERO CC(C)Cc1nnc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000226300063 629127904 /nfs/dbraw/zinc/12/79/04/629127904.db2.gz RDDMPDZCQDQOLU-VHSXEESVSA-N 1 0 282.413 2.193 10 0 CEAERO CC[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)[C@H]1CCCO1 ZINC000248639818 629144497 /nfs/dbraw/zinc/14/44/97/629144497.db2.gz ZAIXIASAUNNXTM-ARFHVFGLSA-N 1 0 263.381 2.441 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)CCCc1ccc(C)s1 ZINC000261761418 629185791 /nfs/dbraw/zinc/18/57/91/629185791.db2.gz OFTSMHHBKFTGAZ-JTQLQIEISA-N 1 0 254.399 2.103 10 0 CEAERO C[C@H]1CN(C(=O)c2cccc(OC(F)(F)F)c2)C[C@H]1[NH3+] ZINC000261796355 629240625 /nfs/dbraw/zinc/24/06/25/629240625.db2.gz QXLWTVRXNPNQLN-GZMMTYOYSA-N 1 0 288.269 2.004 10 0 CEAERO Cc1nc([C@@H]2CCCN(C(=O)C[C@@H](C)[NH3+])C2)sc1C ZINC000261840854 629272294 /nfs/dbraw/zinc/27/22/94/629272294.db2.gz NWESEDUAMBUQDB-BXKDBHETSA-N 1 0 281.425 2.203 10 0 CEAERO CCCN(C(=O)[C@@H](C)Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000178932973 629815747 /nfs/dbraw/zinc/81/57/47/629815747.db2.gz PQLVGDYIDPBRHM-GOEBONIOSA-N 1 0 274.408 2.466 10 0 CEAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000097604804 630462633 /nfs/dbraw/zinc/46/26/33/630462633.db2.gz OMASEXGPDSUUGS-GWCFXTLKSA-N 1 0 279.771 2.238 10 0 CEAERO FC(F)Oc1ccc(NC[C@H]2CCC[NH2+]C2)nc1 ZINC000262283597 630605743 /nfs/dbraw/zinc/60/57/43/630605743.db2.gz UZFRIUHRHDHFHW-VIFPVBQESA-N 1 0 257.284 2.095 10 0 CEAERO COc1ccccc1Cc1noc(C[C@@H]2CCC[NH2+]C2)n1 ZINC000054301497 631143492 /nfs/dbraw/zinc/14/34/92/631143492.db2.gz JXHXFWIKFDSLEP-LBPRGKRZSA-N 1 0 287.363 2.211 10 0 CEAERO C[C@H](O)C[N@@H+]1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1 ZINC000067649071 631659829 /nfs/dbraw/zinc/65/98/29/631659829.db2.gz FGYUGNGCPAXKEG-JTQLQIEISA-N 1 0 291.782 2.469 10 0 CEAERO CCS[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000261582471 631691185 /nfs/dbraw/zinc/69/11/85/631691185.db2.gz RFYDCVIOTHYRDN-MROQNXINSA-N 1 0 270.442 2.294 10 0 CEAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]CC12CCSCC2 ZINC000757184532 631830103 /nfs/dbraw/zinc/83/01/03/631830103.db2.gz LFPNEKVRPJMQEP-JTQLQIEISA-N 1 0 257.399 2.061 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccc(Cl)nn1 ZINC000167260803 639511118 /nfs/dbraw/zinc/51/11/18/639511118.db2.gz BCUCWOTWNRFIIM-LBPRGKRZSA-N 1 0 268.792 2.046 10 0 CEAERO CCO[C@H]1CCC[N@H+](C[C@@](C)(O)c2ccccc2)C1 ZINC000226149884 639525751 /nfs/dbraw/zinc/52/57/51/639525751.db2.gz AKSPNXUMOYYESY-JKSUJKDBSA-N 1 0 263.381 2.395 10 0 CEAERO Nc1cnc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000226757741 639564480 /nfs/dbraw/zinc/56/44/80/639564480.db2.gz KGGBIDZDEGWPOW-GFCCVEGCSA-N 1 0 275.377 2.379 10 0 CEAERO [NH3+][C@@H]1CC[C@H](CNc2ccc(Br)cn2)C1 ZINC000227643152 639599116 /nfs/dbraw/zinc/59/91/16/639599116.db2.gz NJAGSZCPUUWNBS-WCBMZHEXSA-N 1 0 270.174 2.383 10 0 CEAERO C[NH2+][C@H](C)c1nc(-c2cncc(Br)c2)no1 ZINC000087265521 639625867 /nfs/dbraw/zinc/62/58/67/639625867.db2.gz QXUCQRUTNSNHDC-ZCFIWIBFSA-N 1 0 283.129 2.175 10 0 CEAERO COCCN(C)CC[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000061374811 639700606 /nfs/dbraw/zinc/70/06/06/639700606.db2.gz QYJQGKHVUVNLRN-KGLIPLIRSA-N 1 0 256.434 2.369 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1nccn2nc(C(F)(F)F)cc12 ZINC000229608840 639710542 /nfs/dbraw/zinc/71/05/42/639710542.db2.gz IHWREWFGABOGCC-IUCAKERBSA-N 1 0 299.300 2.301 10 0 CEAERO CCCc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000061884199 639727378 /nfs/dbraw/zinc/72/73/78/639727378.db2.gz HHTOTOGHAFGZDM-DZGCQCFKSA-N 1 0 296.436 2.045 10 0 CEAERO C[NH+](C)[C@H]1CCN(c2nc(Cl)nc3ccccc32)C1 ZINC000062983292 639803301 /nfs/dbraw/zinc/80/33/01/639803301.db2.gz VKVJDSWQNXKVMU-JTQLQIEISA-N 1 0 276.771 2.424 10 0 CEAERO O=C(n1ccnc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000323940560 639938226 /nfs/dbraw/zinc/93/82/26/639938226.db2.gz TUSPGKJMOQLIJZ-UHFFFAOYSA-N 1 0 284.363 2.059 10 0 CEAERO Cc1cnn([C@H]2CCCN(CN3CCSC3=S)C2)c1 ZINC000152938411 640358067 /nfs/dbraw/zinc/35/80/67/640358067.db2.gz UKPBDWQICFTSAV-LBPRGKRZSA-N 1 0 296.465 2.120 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1C(=O)N1CCc2sccc2C1 ZINC000089385553 640360408 /nfs/dbraw/zinc/36/04/08/640360408.db2.gz RFIIAUYYSXFQBB-WCQYABFASA-N 1 0 278.421 2.398 10 0 CEAERO CC(C)(C)[C@H](O)C[NH2+]C[C@@H](O)c1ccccc1Cl ZINC000324431569 640575635 /nfs/dbraw/zinc/57/56/35/640575635.db2.gz BQVPVEYFQOZPSE-CHWSQXEVSA-N 1 0 271.788 2.370 10 0 CEAERO CCCCCCNC(=O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000175056509 641303380 /nfs/dbraw/zinc/30/33/80/641303380.db2.gz GAMKVTZRDYOEIS-HOTGVXAUSA-N 1 0 295.471 2.242 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)NC2CCCCCCC2)C1 ZINC000170861769 641372233 /nfs/dbraw/zinc/37/22/33/641372233.db2.gz KCVQOEGRUKQQDN-CQSZACIVSA-N 1 0 267.417 2.445 10 0 CEAERO Cc1ccc2c(CC(=O)N3CC[C@@H]([NH+](C)C)C3)c[nH]c2c1 ZINC000170868221 641390304 /nfs/dbraw/zinc/39/03/04/641390304.db2.gz WZGWBWGZTWBXDM-CQSZACIVSA-N 1 0 285.391 2.181 10 0 CEAERO CCC(CC)(C[NH3+])C(=O)N[C@H]1COc2ccccc21 ZINC000070530064 641678740 /nfs/dbraw/zinc/67/87/40/641678740.db2.gz MPZJTQWMPKICOC-LBPRGKRZSA-N 1 0 262.353 2.001 10 0 CEAERO COC[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1ccco1 ZINC000184589712 641877239 /nfs/dbraw/zinc/87/72/39/641877239.db2.gz VMJGCUAWZKDUEF-GOEBONIOSA-N 1 0 275.348 2.464 10 0 CEAERO Cc1cc(CN2CC[N@@H+]3CCC[C@@H]3C2)cc(Cl)n1 ZINC000320686288 642568278 /nfs/dbraw/zinc/56/82/78/642568278.db2.gz BQLQURNHNDGYLL-CYBMUJFWSA-N 1 0 265.788 2.323 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCCCCCC2)C1 ZINC000057870108 642571921 /nfs/dbraw/zinc/57/19/21/642571921.db2.gz QLEFZPTYITZGTN-AWEZNQCLSA-N 1 0 267.417 2.446 10 0 CEAERO C[NH+](C)[C@@H]1CCN(Cn2ccc(-c3ccccc3)n2)C1 ZINC000109316338 642696962 /nfs/dbraw/zinc/69/69/62/642696962.db2.gz LPHVBJSOCPKNFP-OAHLLOKOSA-N 1 0 270.380 2.144 10 0 CEAERO Cc1sc2ncnc(NC[C@@H]([NH3+])C3CC3)c2c1C ZINC000113502691 644414545 /nfs/dbraw/zinc/41/45/45/644414545.db2.gz OUPLECDAWBITGA-SNVBAGLBSA-N 1 0 262.382 2.457 10 0 CEAERO CCc1ccc([C@H](C)[NH2+]C[C@H]2CCCS2(=O)=O)cc1 ZINC000126970828 651039548 /nfs/dbraw/zinc/03/95/48/651039548.db2.gz VLOWJDVXZZZWED-SWLSCSKDSA-N 1 0 281.421 2.477 10 0 CEAERO CCC[NH2+][C@H]1c2ccccc2C[C@H]1S(=O)(=O)C(C)C ZINC000081980248 177911155 /nfs/dbraw/zinc/91/11/55/177911155.db2.gz YNQGFBUJGJLGHU-CABCVRRESA-N 1 0 281.421 2.475 10 0 CEAERO C[NH2+][C@H](C[S@@](=O)Cc1ccccc1C)C1CC1 ZINC000081997254 177916333 /nfs/dbraw/zinc/91/63/33/177916333.db2.gz GANDMLKKNVQAFW-RHSMWYFYSA-N 1 0 251.395 2.242 10 0 CEAERO CCC[NH2+][C@@H](C)C[S@](=O)c1ccccc1OC ZINC000082000107 177917840 /nfs/dbraw/zinc/91/78/40/177917840.db2.gz ZHLWDEZDPDPJQB-APPDUMDISA-N 1 0 255.383 2.191 10 0 CEAERO Cc1csc(-c2ccccc2CNC(=O)[C@H](C)[NH3+])n1 ZINC000082256088 177928541 /nfs/dbraw/zinc/92/85/41/177928541.db2.gz CFOCAICOWWCCFF-JTQLQIEISA-N 1 0 275.377 2.082 10 0 CEAERO Cn1ccnc1C[N@H+](C)C[C@@H]1CCOc2ccccc2C1 ZINC000095529457 185005415 /nfs/dbraw/zinc/00/54/15/185005415.db2.gz FGVNKDLDWZVDQP-CQSZACIVSA-N 1 0 285.391 2.493 10 0 CEAERO Cc1nc2ccccc2nc1N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000228165078 282088235 /nfs/dbraw/zinc/08/82/35/282088235.db2.gz ZFOYKSKMZUBXPI-CMPLNLGQSA-N 1 0 256.353 2.112 10 0 CEAERO O[C@@H]1C[NH2+]C[C@H]1Sc1cc(Cl)ccc1Cl ZINC000082525100 178088638 /nfs/dbraw/zinc/08/86/38/178088638.db2.gz UUTHAHSWDPJFNH-PSASIEDQSA-N 1 0 264.177 2.418 10 0 CEAERO CN(CC[NH+](C)C)Cc1ccc(N)cc1Br ZINC000082539600 178089074 /nfs/dbraw/zinc/08/90/74/178089074.db2.gz GRRQLISZDJBGME-UHFFFAOYSA-N 1 0 286.217 2.025 10 0 CEAERO Cc1ccc(NC2=[NH+]CCN2)c(Br)c1 ZINC000095776845 185027821 /nfs/dbraw/zinc/02/78/21/185027821.db2.gz ZZQQTKHLBCCOHN-UHFFFAOYSA-N 1 0 254.131 2.129 10 0 CEAERO OC1CCC2(CC1)CC[NH+]([C@H]1CCCC[C@@H]1O)CC2 ZINC000336259620 365539182 /nfs/dbraw/zinc/53/91/82/365539182.db2.gz OVISCPIQZIFCMB-GJZGRUSLSA-N 1 0 267.413 2.307 10 0 CEAERO CC1(C)CSC(NCCOCC(F)(F)F)=[NH+]1 ZINC000082627771 178140583 /nfs/dbraw/zinc/14/05/83/178140583.db2.gz BGPAMEZPRWMJSE-UHFFFAOYSA-N 1 0 256.293 2.036 10 0 CEAERO CC(C)[C@@H](C[NH+](C)C)Nc1ncc(Br)cn1 ZINC000082662002 178150042 /nfs/dbraw/zinc/15/00/42/178150042.db2.gz AQAYLJRSNIAVPQ-SNVBAGLBSA-N 1 0 287.205 2.237 10 0 CEAERO CCN(CC[NH2+]C(C)C)c1ncc(Br)cn1 ZINC000082662777 178151466 /nfs/dbraw/zinc/15/14/66/178151466.db2.gz HBLHFSQUQHFNJF-UHFFFAOYSA-N 1 0 287.205 2.063 10 0 CEAERO [NH2+]=C1NC(c2ccccc2)(c2ccccc2)C2=NCCCN12 ZINC000034657615 361793162 /nfs/dbraw/zinc/79/31/62/361793162.db2.gz UFWSJOVQEPTPNE-UHFFFAOYSA-N 1 0 290.370 2.363 10 0 in-vitro CEAERO Cc1nnc([C@@H]2C[C@H]3OCC[C@H]3[N@H+](Cc3ccoc3)C2)o1 ZINC000096064959 185084145 /nfs/dbraw/zinc/08/41/45/185084145.db2.gz XAQBJPFRYQCPPP-MGPQQGTHSA-N 1 0 289.335 2.118 10 0 CEAERO CC(C)n1nnnc1C[N@@H+]1C[C@H](C)CCC[C@H]1C ZINC000125203943 187174464 /nfs/dbraw/zinc/17/44/64/187174464.db2.gz XQECXYFLAPJYED-VXGBXAGGSA-N 1 0 251.378 2.265 10 0 CEAERO [NH3+][C@]1(Cc2ccc(F)cc2Br)CCOC1 ZINC000083186855 178351957 /nfs/dbraw/zinc/35/19/57/178351957.db2.gz JTQUSSHBYJJXMV-NSHDSACASA-N 1 0 274.133 2.249 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C)CN1CCc1ccc(F)cc1 ZINC000083383582 178386482 /nfs/dbraw/zinc/38/64/82/178386482.db2.gz XZLHGDPVFZGPTQ-DOMZBBRYSA-N 1 0 250.361 2.441 10 0 CEAERO [NH3+]CCOc1cccc(Br)c1Cl ZINC000083383855 178387544 /nfs/dbraw/zinc/38/75/44/178387544.db2.gz UDOPNYJNZHYMJY-UHFFFAOYSA-N 1 0 250.523 2.440 10 0 CEAERO C[C@@H](CNC(=O)c1c[nH]c2ccccc12)[NH+]1CCCC1 ZINC000096723646 185110869 /nfs/dbraw/zinc/11/08/69/185110869.db2.gz PPLMLQDYBSVSHL-LBPRGKRZSA-N 1 0 271.364 2.382 10 0 CEAERO CCC[NH2+][C@](C)(CO)CN(CCC(C)C)C1CC1 ZINC000096836922 185115179 /nfs/dbraw/zinc/11/51/79/185115179.db2.gz FWXKKTXMPVTAJE-HNNXBMFYSA-N 1 0 256.434 2.248 10 0 CEAERO [NH3+]Cc1c(F)cccc1N1C(=O)c2ccccc2C1=O ZINC000036158684 361833412 /nfs/dbraw/zinc/83/34/12/361833412.db2.gz BSSARTZBQYSSMW-UHFFFAOYSA-N 1 0 270.263 2.085 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC000096897195 185124557 /nfs/dbraw/zinc/12/45/57/185124557.db2.gz OEFXICZJKJOJRG-NEPJUHHUSA-N 1 0 254.374 2.386 10 0 CEAERO CC(C)(C)OC(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000096897256 185125114 /nfs/dbraw/zinc/12/51/14/185125114.db2.gz MFCFZDVNBFYEOE-CQSZACIVSA-N 1 0 254.374 2.387 10 0 CEAERO c1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CNCCO2)cc1 ZINC000096949585 185138531 /nfs/dbraw/zinc/13/85/31/185138531.db2.gz OTCREKNSLPVLFE-HOTGVXAUSA-N 1 0 260.381 2.030 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[NH2+][C@H]2CCC[C@@H]2C1 ZINC000096958497 185141505 /nfs/dbraw/zinc/14/15/05/185141505.db2.gz HJOHSKHVVDVSMK-NEPJUHHUSA-N 1 0 254.374 2.386 10 0 CEAERO CC[C@H]([NH3+])C(=O)Cc1ccccc1Br ZINC000096957608 185141660 /nfs/dbraw/zinc/14/16/60/185141660.db2.gz OLQCFCBAFGQNIV-JTQLQIEISA-N 1 0 256.143 2.298 10 0 CEAERO CC(C)(C)OC(=O)N1C[C@@H]([NH3+])[C@@H](C2CCCC2)C1 ZINC000096958572 185142227 /nfs/dbraw/zinc/14/22/27/185142227.db2.gz XGXJEKCLYUOWCN-VXGBXAGGSA-N 1 0 254.374 2.371 10 0 CEAERO C[C@@H]1C[NH2+]CC[C@]12C[C@@H](O)c1ccc(F)cc1O2 ZINC000097005410 185150513 /nfs/dbraw/zinc/15/05/13/185150513.db2.gz BQRKOBKMOVAYPT-IUPBHXKESA-N 1 0 251.301 2.010 10 0 CEAERO C[C@H]1C[C@]2(C[N@@H+]1C)C[C@@H](O)c1ccc(F)cc1O2 ZINC000097005303 185150845 /nfs/dbraw/zinc/15/08/45/185150845.db2.gz DPBKPPQLSFUTSC-MRCXROJRSA-N 1 0 251.301 2.104 10 0 CEAERO COc1cc(C)ccc1NC(=O)C1CCC([NH3+])CC1 ZINC000037769437 361934678 /nfs/dbraw/zinc/93/46/78/361934678.db2.gz SMLIHEAJAICYKK-UHFFFAOYSA-N 1 0 262.353 2.460 10 0 CEAERO CC1CCC(NC(=O)[C@H]2CC[C@@H](C)[C@@H]([NH3+])C2)CC1 ZINC000097030663 185154723 /nfs/dbraw/zinc/15/47/23/185154723.db2.gz CYPSCHDSAYKPEK-ISDWTXNASA-N 1 0 252.402 2.445 10 0 CEAERO Cc1ccc(OC[C@H](O)C[NH2+][C@@H](C)[C@@H]2CCCO2)c(C)c1 ZINC000037889859 361959747 /nfs/dbraw/zinc/95/97/47/361959747.db2.gz WCINIIYEVBRUEL-UXLLHSPISA-N 1 0 293.407 2.200 10 0 CEAERO c1cc(N2CCCCC2)ncc1NC1CC[NH2+]CC1 ZINC000038041047 361985482 /nfs/dbraw/zinc/98/54/82/361985482.db2.gz VVODKTNMFJOCIE-UHFFFAOYSA-N 1 0 260.385 2.236 10 0 CEAERO CCC[NH2+]Cc1cc2cc(OC)ccc2n(C)c1=O ZINC000039288559 361987940 /nfs/dbraw/zinc/98/79/40/361987940.db2.gz WXIFDYUOMXSOIT-UHFFFAOYSA-N 1 0 260.337 2.047 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[C@@H](C)SC ZINC000125630656 187194084 /nfs/dbraw/zinc/19/40/84/187194084.db2.gz ZEOAELANWFPNQS-JHJVBQTASA-N 1 0 270.442 2.213 10 0 CEAERO CC[C@@H](NC(=O)OC(C)(C)C)[C@]1(C)[NH2+]CCc2nc[nH]c21 ZINC000725242793 539190558 /nfs/dbraw/zinc/19/05/58/539190558.db2.gz UCPQVBVANLEKNA-ABAIWWIYSA-N 1 0 294.399 2.074 10 0 CEAERO CC(C)NC(=O)NC[C@H]([NH3+])C1CCC(C(C)C)CC1 ZINC000725254976 539200843 /nfs/dbraw/zinc/20/08/43/539200843.db2.gz MBYZKZZMUROMST-RUXDESIVSA-N 1 0 269.433 2.484 10 0 CEAERO O=C(N[C@H]1CCC[NH2+]C[C@@H]1F)OCc1ccccc1 ZINC000725262008 539209917 /nfs/dbraw/zinc/20/99/17/539209917.db2.gz QPJQHXOAZRHVCN-STQMWFEESA-N 1 0 266.316 2.003 10 0 CEAERO CC(C)(C)NC(=O)N1CC[C@H]([NH3+])[C@@H](C(F)(F)F)CC1 ZINC000725262910 539212022 /nfs/dbraw/zinc/21/20/22/539212022.db2.gz RRXNSAQXUXXPEX-IUCAKERBSA-N 1 0 281.322 2.096 10 0 CEAERO CC(C)CC(=O)N1CC[C@@H]2CC[C@]21[C@H]1CCC[NH2+]C1 ZINC000725263584 539212215 /nfs/dbraw/zinc/21/22/15/539212215.db2.gz SGEJUHUDGNLAKV-OFQRWUPVSA-N 1 0 264.413 2.413 10 0 CEAERO CC(C)NC(=O)c1csc(-c2cccc(C[NH3+])c2)n1 ZINC000725263505 539212354 /nfs/dbraw/zinc/21/23/54/539212354.db2.gz LEVUOKSHMQJNTQ-UHFFFAOYSA-N 1 0 275.377 2.407 10 0 CEAERO CC(C)(C)C(=O)N1CC[C@@H]2CC[C@]21[C@H]1CCC[NH2+]C1 ZINC000725263532 539212387 /nfs/dbraw/zinc/21/23/87/539212387.db2.gz OISRSRPRFPSRBJ-HEHGZKQESA-N 1 0 264.413 2.413 10 0 CEAERO CC(C)CC(=O)N1CCC[C@H]([C@@]23CC[C@@H]2CC[NH2+]3)C1 ZINC000725263676 539212395 /nfs/dbraw/zinc/21/23/95/539212395.db2.gz ZIENZEZENGCJCC-IJEWVQPXSA-N 1 0 264.413 2.413 10 0 CEAERO CCCCNC(=O)N[C@H]1CCCC12CC[NH2+]CC2 ZINC000725264236 539212576 /nfs/dbraw/zinc/21/25/76/539212576.db2.gz QPKAENWAUXNQET-LBPRGKRZSA-N 1 0 253.390 2.008 10 0 CEAERO CC(C)[C@H](C)NC(=O)N1CCC2(CCC[C@H]2[NH3+])CC1 ZINC000725264313 539212729 /nfs/dbraw/zinc/21/27/29/539212729.db2.gz ZADKBEWFXISUFT-QWHCGFSZSA-N 1 0 267.417 2.334 10 0 CEAERO CN1C[C@@H](C[NH2+]CCC2CCCCCC2)CC1=O ZINC000668617013 539215015 /nfs/dbraw/zinc/21/50/15/539215015.db2.gz UCWWCYQKQSVKCA-CQSZACIVSA-N 1 0 252.402 2.415 10 0 CEAERO CC(C)(C)OC(=O)c1cccc([C@@H]2CC[NH2+]C[C@H]2N)c1 ZINC000725270906 539215182 /nfs/dbraw/zinc/21/51/82/539215182.db2.gz UYFYCCKTDJMKPO-UONOGXRCSA-N 1 0 276.380 2.046 10 0 CEAERO CC(C)c1nsc(N2CC[C@@H](C)C[C@H]2C[NH3+])n1 ZINC000300041564 539268404 /nfs/dbraw/zinc/26/84/04/539268404.db2.gz ZDWYVJLFYCEIBC-ZJUUUORDSA-N 1 0 254.403 2.225 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H]2CCCC(C)(C)C2)C1 ZINC000133098399 539271619 /nfs/dbraw/zinc/27/16/19/539271619.db2.gz KKUFOGLBHVKVBB-ZIAGYGMSSA-N 1 0 254.418 2.266 10 0 CEAERO COc1c(C[NH2+][C@H]2CCC(F)(F)C2)c(C)nn1C ZINC000310775265 539279956 /nfs/dbraw/zinc/27/99/56/539279956.db2.gz AKJIVYOCEZJWOB-VIFPVBQESA-N 1 0 259.300 2.015 10 0 CEAERO C[C@H]([NH2+]C[C@@H](O)Cn1cccn1)c1ccc(Cl)s1 ZINC000042587549 362105189 /nfs/dbraw/zinc/10/51/89/362105189.db2.gz MIFSPVBCBDUFOM-VHSXEESVSA-N 1 0 285.800 2.310 10 0 CEAERO CC(C)(C)OC(=O)NCC(C)(C)[NH2+]CC1=CCCOC1 ZINC000127026696 365730486 /nfs/dbraw/zinc/73/04/86/365730486.db2.gz ZVUCBTMBIKZDFA-UHFFFAOYSA-N 1 0 284.400 2.226 10 0 CEAERO [NH3+]CC1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000044514825 362153398 /nfs/dbraw/zinc/15/33/98/362153398.db2.gz XHHPSHWIIRPHKH-UHFFFAOYSA-N 1 0 259.275 2.276 10 0 CEAERO COc1ccc([C@H](N)C[NH3+])cc1OCc1ccccc1 ZINC000044469123 362153414 /nfs/dbraw/zinc/15/34/14/362153414.db2.gz ZMTMTUNRTBGCSZ-CQSZACIVSA-N 1 0 272.348 2.233 10 0 CEAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1ccc2cnccc2c1 ZINC000236571164 539302841 /nfs/dbraw/zinc/30/28/41/539302841.db2.gz MJJYAHSBLKTRJX-HOTGVXAUSA-N 1 0 256.349 2.485 10 0 CEAERO COc1ccc2c(c1OC)CCC[C@H]2C1=[NH+]CCN1 ZINC000034142991 343419032 /nfs/dbraw/zinc/41/90/32/343419032.db2.gz QEGIONMYWKDEML-GFCCVEGCSA-N 1 0 260.337 2.125 10 0 CEAERO Clc1cccc2c1C[C@H](N1CCC[NH2+]CC1)CC2 ZINC000034476847 343420023 /nfs/dbraw/zinc/42/00/23/343420023.db2.gz YUDFNYCWJSTXBV-CYBMUJFWSA-N 1 0 264.800 2.493 10 0 CEAERO COc1cc(C[C@@H](C)[NH3+])c(OC)cc1CCSC ZINC000034875789 343420757 /nfs/dbraw/zinc/42/07/57/343420757.db2.gz MDLPCKNFDCESEM-SNVBAGLBSA-N 1 0 269.410 2.499 10 0 CEAERO COc1cc(C)c(NC(=O)C2CCC([NH3+])CC2)cc1OC ZINC000037628933 343430457 /nfs/dbraw/zinc/43/04/57/343430457.db2.gz SSKDLRPQDBBAES-UHFFFAOYSA-N 1 0 292.379 2.468 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)Cc1ccc(OC)c(OC)c1 ZINC000037798717 343430996 /nfs/dbraw/zinc/43/09/96/343430996.db2.gz DHKBQPIQHSRKNH-XHDPSFHLSA-N 1 0 294.395 2.036 10 0 CEAERO Cc1cc([C@H]2CCCN2C(=O)C2CCC([NH3+])CC2)on1 ZINC000037820365 343431655 /nfs/dbraw/zinc/43/16/55/343431655.db2.gz DRUAOLGHIRUVKD-WXRRBKDZSA-N 1 0 277.368 2.164 10 0 CEAERO c1ccc(OCC[NH2+]C[C@@H]2COc3ccccc3O2)cc1 ZINC000038352500 343434229 /nfs/dbraw/zinc/43/42/29/343434229.db2.gz SEVMYASGWWEGRG-OAHLLOKOSA-N 1 0 285.343 2.495 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCN(CC3CC3)c3ccccc32)C1 ZINC000246221980 136387688 /nfs/dbraw/zinc/38/76/88/136387688.db2.gz GWZMGYZKDISDMY-HUUCEWRRSA-N 1 0 299.418 2.377 10 0 CEAERO C[C@@H](O)CCC[NH+]1CCC(c2nccs2)CC1 ZINC000336704577 365769092 /nfs/dbraw/zinc/76/90/92/365769092.db2.gz KWQPIOIXFMDFTF-LLVKDONJSA-N 1 0 254.399 2.484 10 0 CEAERO C[C@H]1C[N@@H+]([C@@H]2CCC[C@H]2O)CCN1Cc1ccccc1 ZINC000306636534 539335465 /nfs/dbraw/zinc/33/54/65/539335465.db2.gz DWYMDMCIGZFHSF-USXIJHARSA-N 1 0 274.408 2.106 10 0 CEAERO Cc1cc2ccccc2nc1N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000228376530 539339175 /nfs/dbraw/zinc/33/91/75/539339175.db2.gz VUGQEUQLWHUNLI-WFASDCNBSA-N 1 0 271.364 2.096 10 0 CEAERO Fc1cc(Cl)cnc1N1CCC2(C1)CC[NH2+]CC2 ZINC000335300565 282960819 /nfs/dbraw/zinc/96/08/19/282960819.db2.gz RBFLYDFHNUFWCG-UHFFFAOYSA-N 1 0 269.751 2.454 10 0 CEAERO CCC[C@H](C[NH3+])NC(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000083566926 178581878 /nfs/dbraw/zinc/58/18/78/178581878.db2.gz UKKNAPFSCPBIFD-ZCFIWIBFSA-N 1 0 264.156 2.179 10 0 CEAERO CC[C@@H](C[NH3+])NC(=O)c1cc(F)ccc1Br ZINC000083566071 178581937 /nfs/dbraw/zinc/58/19/37/178581937.db2.gz INYVGTTYZWMGRW-QMMMGPOBSA-N 1 0 289.148 2.055 10 0 CEAERO CCC[C@@H](C[NH3+])NC(=O)c1ccc(Br)cc1 ZINC000083566952 178581974 /nfs/dbraw/zinc/58/19/74/178581974.db2.gz MESFBUOWFBZESD-NSHDSACASA-N 1 0 285.185 2.306 10 0 CEAERO CC[C@@H](C[NH3+])NC(=O)c1cccc(Cl)c1Cl ZINC000083566287 178582061 /nfs/dbraw/zinc/58/20/61/178582061.db2.gz VJMXRYIYNNFIKK-ZETCQYMHSA-N 1 0 261.152 2.461 10 0 CEAERO CC[C@H](C[NH3+])C(=O)NCc1cc(Br)cs1 ZINC000083605862 178613057 /nfs/dbraw/zinc/61/30/57/178613057.db2.gz YGGQYZYHBNKUNJ-SSDOTTSWSA-N 1 0 291.214 2.112 10 0 CEAERO Cc1cccc(C)c1NC(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1O ZINC000078480558 343954328 /nfs/dbraw/zinc/95/43/28/343954328.db2.gz JABQVTBCLXLRNG-KGLIPLIRSA-N 1 0 276.380 2.087 10 0 CEAERO Cc1noc(-c2ccnc(NC[C@@H]3CCC[N@@H+](C)C3)c2)n1 ZINC000091482608 344164917 /nfs/dbraw/zinc/16/49/17/344164917.db2.gz SSLCRMSCIHJAOU-LBPRGKRZSA-N 1 0 287.367 2.194 10 0 CEAERO Nc1cc(C[NH+]2CCC(O)CC2)cc(C(F)(F)F)c1 ZINC000090715625 344142731 /nfs/dbraw/zinc/14/27/31/344142731.db2.gz GHOWQLMICHCUPG-UHFFFAOYSA-N 1 0 274.286 2.244 10 0 CEAERO CC(C)(C)c1ncc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000049516062 362368639 /nfs/dbraw/zinc/36/86/39/362368639.db2.gz DBBFTKDCOPCKBC-LLVKDONJSA-N 1 0 293.436 2.361 10 0 CEAERO COC(=O)C[C@H]([NH3+])c1ccc(OC(F)(F)F)c(F)c1 ZINC000095638467 344237245 /nfs/dbraw/zinc/23/72/45/344237245.db2.gz YQALVSABRJFXRO-QMMMGPOBSA-N 1 0 281.205 2.287 10 0 CEAERO CC(C)[C@@H](C)NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000125736099 344319964 /nfs/dbraw/zinc/31/99/64/344319964.db2.gz OMHPFORNAFHFNW-CYBMUJFWSA-N 1 0 269.433 2.404 10 0 CEAERO [NH3+]Cc1csc(-c2ncccc2Br)n1 ZINC000133327458 344368173 /nfs/dbraw/zinc/36/81/73/344368173.db2.gz UMCAXOZBPILBFQ-UHFFFAOYSA-N 1 0 270.155 2.426 10 0 CEAERO CO[C@@]1(C[NH3+])CCc2cc(Br)ccc21 ZINC000128026168 344333429 /nfs/dbraw/zinc/33/34/29/344333429.db2.gz XZGRNYOVOIOPJB-LLVKDONJSA-N 1 0 256.143 2.196 10 0 CEAERO C[C@@H](NC(=O)N1CC[C@H](C[NH+](C)C)C1)C(C)(C)C ZINC000129983368 344348656 /nfs/dbraw/zinc/34/86/56/344348656.db2.gz DHQGMFLWCCBDEM-VXGBXAGGSA-N 1 0 255.406 2.014 10 0 CEAERO CCCC(=O)Nc1cccc(CNC(=O)[C@@H]([NH3+])CCC)c1 ZINC000153751033 344430179 /nfs/dbraw/zinc/43/01/79/344430179.db2.gz ZKCQDOMHRFSXGR-AWEZNQCLSA-N 1 0 291.395 2.169 10 0 CEAERO C[C@@H](Cc1ccsc1)NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000136179329 344384242 /nfs/dbraw/zinc/38/42/42/344384242.db2.gz KJQVEDYQWPOIOI-FZMZJTMJSA-N 1 0 266.410 2.328 10 0 CEAERO C[C@@H]1CC(c2ccncc2[N+](=O)[O-])=CC(=O)[C@H]1C[NH+](C)C ZINC000149822542 344415506 /nfs/dbraw/zinc/41/55/06/344415506.db2.gz MRURIDYMVHCNJL-MFKMUULPSA-N 1 0 289.335 2.160 10 0 CEAERO FC1(Cc2ccc(I)cc2)C[NH2+]C1 ZINC000158128695 344450332 /nfs/dbraw/zinc/45/03/32/344450332.db2.gz RPGYCQQDGVROPF-UHFFFAOYSA-N 1 0 291.107 2.145 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000162628425 344468154 /nfs/dbraw/zinc/46/81/54/344468154.db2.gz UCFCXWDWQZFPBD-IHRRRGAJSA-N 1 0 250.386 2.167 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]1)c1ccc(Br)o1 ZINC000164775778 344472818 /nfs/dbraw/zinc/47/28/18/344472818.db2.gz ISBVJAHYTAZCDG-ZETCQYMHSA-N 1 0 258.115 2.367 10 0 CEAERO C[C@H](C[C@H](C)[NH3+])Nc1ccc(Br)cn1 ZINC000165735465 344474957 /nfs/dbraw/zinc/47/49/57/344474957.db2.gz WSAJJBCCAJTWIY-JGVFFNPUSA-N 1 0 258.163 2.382 10 0 CEAERO COc1ccc(C[C@H](C[NH3+])C(=O)OC(C)(C)C)cc1 ZINC000166277865 344475752 /nfs/dbraw/zinc/47/57/52/344475752.db2.gz ZXJLDRBIMBPVES-GFCCVEGCSA-N 1 0 265.353 2.154 10 0 CEAERO C[C@H]([NH3+])C(=O)Cc1cc(F)ccc1Br ZINC000167962491 344479733 /nfs/dbraw/zinc/47/97/33/344479733.db2.gz GQMKWAUZTVEGQR-LURJTMIESA-N 1 0 260.106 2.047 10 0 CEAERO C[C@@](O)(C[NH3+])c1ccc(Br)cc1Cl ZINC000168542101 344480571 /nfs/dbraw/zinc/48/05/71/344480571.db2.gz ZNRHSVHSNJHPLF-SECBINFHSA-N 1 0 264.550 2.269 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)c2cc(-c3cccs3)on2)C1 ZINC000170867939 344492047 /nfs/dbraw/zinc/49/20/47/344492047.db2.gz ADDXKHJUQAXUCI-JTQLQIEISA-N 1 0 291.376 2.179 10 0 CEAERO CC(C)c1ccc(C(=O)CN2CCC([NH3+])CC2)cc1 ZINC000050158271 362405698 /nfs/dbraw/zinc/40/56/98/362405698.db2.gz ARURQSVSTHXNIS-UHFFFAOYSA-N 1 0 260.381 2.416 10 0 CEAERO CC[NH+](CC)CC[C@@]1(C)Oc2ccc(N)cc2O1 ZINC000221292580 344539036 /nfs/dbraw/zinc/53/90/36/344539036.db2.gz DSPKHXVCWFPVBG-AWEZNQCLSA-N 1 0 250.342 2.488 10 0 CEAERO CCCC[C@@H](CCC)NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000226069002 344548393 /nfs/dbraw/zinc/54/83/93/344548393.db2.gz YKVMNJXXFLSHGN-CQSZACIVSA-N 1 0 283.460 2.145 10 0 CEAERO CN(C(=O)c1ccc2cc[nH]c2c1)[C@@H]1CCC[NH2+]CC1 ZINC000226457009 344550185 /nfs/dbraw/zinc/55/01/85/344550185.db2.gz JOBWTZPCRQOHKD-CQSZACIVSA-N 1 0 271.364 2.382 10 0 CEAERO Cc1ccc(S(=O)(=O)N(C)[C@H]2CCC[NH2+]CC2)cc1C ZINC000226463165 344550211 /nfs/dbraw/zinc/55/02/11/344550211.db2.gz YWZXJRRLHIMXME-AWEZNQCLSA-N 1 0 296.436 2.066 10 0 CEAERO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CCC[NH2+]CC2)cc1C ZINC000226463161 344550261 /nfs/dbraw/zinc/55/02/61/344550261.db2.gz YWZXJRRLHIMXME-CQSZACIVSA-N 1 0 296.436 2.066 10 0 CEAERO Cc1ccccc1-c1noc(C[N@@H+]2CC[C@H](CCO)C2)n1 ZINC000227572775 344554489 /nfs/dbraw/zinc/55/44/89/344554489.db2.gz HMLKFHYCQLAFSD-CYBMUJFWSA-N 1 0 287.363 2.249 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000235279620 344590439 /nfs/dbraw/zinc/59/04/39/344590439.db2.gz XIVBDZLPOADISU-WQVCFCJDSA-N 1 0 272.392 2.378 10 0 CEAERO [NH3+]CCNc1c(F)ccc(Br)c1F ZINC000236267665 344595054 /nfs/dbraw/zinc/59/50/54/344595054.db2.gz AJXHKBBBVJZYEJ-UHFFFAOYSA-N 1 0 251.074 2.098 10 0 CEAERO [NH3+][C@@H]1CCO[C@H]1c1cc(F)ccc1Br ZINC000236313121 344595306 /nfs/dbraw/zinc/59/53/06/344595306.db2.gz NPUQZWJNJGZXAP-ZJUUUORDSA-N 1 0 260.106 2.377 10 0 CEAERO O[C@@H](C[NH+]1CCC(O)CC1)c1cccc(C(F)(F)F)c1 ZINC000051590132 362432814 /nfs/dbraw/zinc/43/28/14/362432814.db2.gz BMTBHPOZDWZHET-ZDUSSCGKSA-N 1 0 289.297 2.196 10 0 CEAERO [NH3+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000051870636 362442179 /nfs/dbraw/zinc/44/21/79/362442179.db2.gz HCSFLDHQESLDIC-UHFFFAOYSA-N 1 0 254.639 2.481 10 0 CEAERO CCOC(=O)C[C@H](O)C[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000233987841 344582823 /nfs/dbraw/zinc/58/28/23/344582823.db2.gz ZYNLONXISMFRJR-AAEUAGOBSA-N 1 0 283.343 2.099 10 0 CEAERO C[C@@H](C[NH3+])Nc1cccc(I)c1 ZINC000235114416 344589038 /nfs/dbraw/zinc/58/90/38/344589038.db2.gz MCKXYVVWUUTXJZ-ZETCQYMHSA-N 1 0 276.121 2.050 10 0 CEAERO C[C@@H]1CC[C@@H](C(=O)NCCC[N@H+](C)C2CCCCC2)O1 ZINC000128243640 187359069 /nfs/dbraw/zinc/35/90/69/187359069.db2.gz RPPIZLCZKOQODV-HIFRSBDPSA-N 1 0 282.428 2.325 10 0 CEAERO COC(=O)c1csc(C[NH2+][C@@H](C)[C@@H]2CCCO2)c1 ZINC000602510023 347061781 /nfs/dbraw/zinc/06/17/81/347061781.db2.gz IJZCSIIFGHGRBV-CABZTGNLSA-N 1 0 269.366 2.192 10 0 CEAERO COC(=O)c1cc(C[N@@H+]2CCC[C@H]2CCCO)oc1C ZINC000052762404 362474181 /nfs/dbraw/zinc/47/41/81/362474181.db2.gz ZBQBMMYMYACQNV-LBPRGKRZSA-N 1 0 281.352 2.112 10 0 CEAERO [NH3+]Cc1nc(OC(F)(F)F)ccc1Br ZINC000238594486 344607157 /nfs/dbraw/zinc/60/71/57/344607157.db2.gz CZZQYFHLMDYRJG-UHFFFAOYSA-N 1 0 271.036 2.201 10 0 CEAERO [NH3+][C@@H]1CCc2ccc(I)cc21 ZINC000238640934 344607535 /nfs/dbraw/zinc/60/75/35/344607535.db2.gz CVIYADYNCIMOEL-SECBINFHSA-N 1 0 259.090 2.237 10 0 CEAERO [NH3+]Cc1cc(OC(F)(F)F)ncc1Br ZINC000238675657 344607711 /nfs/dbraw/zinc/60/77/11/344607711.db2.gz IMGBPFOLDXZAPX-UHFFFAOYSA-N 1 0 271.036 2.201 10 0 CEAERO C[C@@H]1CCC[C@H](CNC(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000261572494 344653115 /nfs/dbraw/zinc/65/31/15/344653115.db2.gz LQJPWZZJVWPVOS-IPYPFGDCSA-N 1 0 252.402 2.461 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@@H]1[C@H](C)[C@H](OC)C1(CC)CC ZINC000262590053 344654759 /nfs/dbraw/zinc/65/47/59/344654759.db2.gz ULDDXPGPCLYBBJ-RVMXOQNASA-N 1 0 270.417 2.070 10 0 CEAERO C[C@@H]1CCC[C@H](NC(=O)C[C@H]2CCC[NH2+]C2)[C@H]1C ZINC000251946925 344638424 /nfs/dbraw/zinc/63/84/24/344638424.db2.gz WLQCKADWDLRGBU-RQJABVFESA-N 1 0 252.402 2.317 10 0 CEAERO C[C@H]1C[C@H](NC(=O)C[C@@H]2CCC[NH2+]C2)C[C@@H](C)C1 ZINC000252188237 344638656 /nfs/dbraw/zinc/63/86/56/344638656.db2.gz UPKFWGORSPJLAV-RFQIPJPRSA-N 1 0 252.402 2.317 10 0 CEAERO [NH3+][C@H]1C[C@H]1c1cccc(I)c1 ZINC000307089456 344720078 /nfs/dbraw/zinc/72/00/78/344720078.db2.gz VEFCTWCDXVTTGZ-IUCAKERBSA-N 1 0 259.090 2.106 10 0 CEAERO Clc1cc(Br)cc(NC2C[NH2+]C2)c1 ZINC000307455713 344722647 /nfs/dbraw/zinc/72/26/47/344722647.db2.gz DMDOQROJZMKFNE-UHFFFAOYSA-N 1 0 261.550 2.486 10 0 CEAERO Cc1cc([C@@H]2COCC(N)=[NH+]2)sc1Br ZINC000306826005 344717831 /nfs/dbraw/zinc/71/78/31/344717831.db2.gz ZAQTUKSTTLGTJN-LURJTMIESA-N 1 0 275.171 2.248 10 0 CEAERO CCn1cnnc1[C@H]1CN(Cc2ccc(C)s2)CCO1 ZINC000328647277 344757763 /nfs/dbraw/zinc/75/77/63/344757763.db2.gz TWPXUPHNXNMASR-CYBMUJFWSA-N 1 0 292.408 2.241 10 0 CEAERO O=C(c1ccncc1Cl)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000328644033 344758211 /nfs/dbraw/zinc/75/82/11/344758211.db2.gz RODPYURFGOHIED-JTQLQIEISA-N 1 0 279.771 2.092 10 0 CEAERO C[C@@H](O)[C@](C)(C[NH3+])Cc1cccc(Br)c1 ZINC000083777629 178746126 /nfs/dbraw/zinc/74/61/26/178746126.db2.gz NXVOGSONYAYPEJ-SKDRFNHKSA-N 1 0 272.186 2.337 10 0 CEAERO COc1cc(N[C@@H](C)[C@H](C)[NH3+])c([N+](=O)[O-])cc1C ZINC000381719556 344825378 /nfs/dbraw/zinc/82/53/78/344825378.db2.gz JNDIBDXMHZIYDP-IUCAKERBSA-N 1 0 253.302 2.059 10 0 CEAERO CC[C@H]1CN(c2nc(C)c(C#N)cc2Cl)CC[C@@H]1[NH3+] ZINC000381912959 344825802 /nfs/dbraw/zinc/82/58/02/344825802.db2.gz TVNVKUKRTKNUFF-GWCFXTLKSA-N 1 0 278.787 2.479 10 0 CEAERO C[C@@H]1CC[C@H](C(=O)NC2CCC(C)(C)CC2)C[NH2+]1 ZINC000083753810 178741213 /nfs/dbraw/zinc/74/12/13/178741213.db2.gz OMNGUVIZKPKXAU-NEPJUHHUSA-N 1 0 252.402 2.460 10 0 CEAERO C[C@@H]1CC[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C[NH2+]1 ZINC000398958914 344856232 /nfs/dbraw/zinc/85/62/32/344856232.db2.gz KRRLGHKYPLHIGT-PSASIEDQSA-N 1 0 253.277 2.286 10 0 CEAERO C[C@H]1CC[C@@H](Nc2ccc(C#N)cc2[N+](=O)[O-])C[NH2+]1 ZINC000399036381 344857218 /nfs/dbraw/zinc/85/72/18/344857218.db2.gz OLGOJICSWHOUML-GXSJLCMTSA-N 1 0 260.297 2.019 10 0 CEAERO C[C@@H]([NH3+])[C@@H](N(C)CCC(F)(F)F)C(F)(F)F ZINC000083878798 178757704 /nfs/dbraw/zinc/75/77/04/178757704.db2.gz OGTPQUDIDDFEIL-PHDIDXHHSA-N 1 0 252.202 2.149 10 0 CEAERO C[C@@H]1CC(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)C[C@@H](C)O1 ZINC000668101320 539415511 /nfs/dbraw/zinc/41/55/11/539415511.db2.gz NJGIWGDJJURZIG-HKCMKHECSA-N 1 0 253.386 2.347 10 0 CEAERO CC(C)(C)[NH2+]CC[S@@](=O)c1ccc(F)cc1F ZINC000084032113 178773120 /nfs/dbraw/zinc/77/31/20/178773120.db2.gz KWDVKJQOICRHSG-KRWDZBQOSA-N 1 0 261.337 2.461 10 0 CEAERO CCC[NH2+][C@H](C)C[S@](=O)c1ccc(F)c(F)c1 ZINC000084032602 178773415 /nfs/dbraw/zinc/77/34/15/178773415.db2.gz AYFCPBUFPRPXCY-VVVCHXIZSA-N 1 0 261.337 2.461 10 0 CEAERO COc1ccc([S@](=O)[C@@H]2C[C@@H](C)CC[C@@H]2[NH3+])cc1 ZINC000084002434 178770058 /nfs/dbraw/zinc/77/00/58/178770058.db2.gz QCOJLEXKDQCTFU-YQNCKWHISA-N 1 0 267.394 2.319 10 0 CEAERO CC(C)(C)OC(=O)NC[C@@H]1C[NH2+]CC[C@H]1C(F)(F)F ZINC000521399021 344928127 /nfs/dbraw/zinc/92/81/27/344928127.db2.gz QYQCZITWJGCWFA-DTWKUNHWSA-N 1 0 282.306 2.299 10 0 CEAERO C[NH2+][C@H]1CC[C@@H](c2ccccc2)C[C@@H]1[S@](C)=O ZINC000084047234 178778552 /nfs/dbraw/zinc/77/85/52/178778552.db2.gz OZJFQIKMGTTWTM-XJIUQZFPSA-N 1 0 251.395 2.289 10 0 CEAERO CCOC(=O)c1ccc(N(C)C(=O)C[NH+](CC)CC)cc1 ZINC000584598337 344961774 /nfs/dbraw/zinc/96/17/74/344961774.db2.gz PXSCQFBACPVFKY-UHFFFAOYSA-N 1 0 292.379 2.168 10 0 CEAERO [NH3+]CCc1cn(-c2cccc(C(F)(F)F)c2)cn1 ZINC000584621533 344967282 /nfs/dbraw/zinc/96/72/82/344967282.db2.gz AEAHITZSGMMFMJ-UHFFFAOYSA-N 1 0 255.243 2.392 10 0 CEAERO CCOC(=O)[C@@H](Cc1ccccc1)[C@]1(C)[NH2+]CCS1 ZINC000584630397 344969481 /nfs/dbraw/zinc/96/94/81/344969481.db2.gz UISQDOCJMXYKTH-UKRRQHHQSA-N 1 0 279.405 2.461 10 0 CEAERO CN1c2ccccc2-c2ccc(F)cc2[C@@H]([NH3+])C1=O ZINC000584640225 344971774 /nfs/dbraw/zinc/97/17/74/344971774.db2.gz TWTJHCQHLKYNAD-CQSZACIVSA-N 1 0 256.280 2.469 10 0 CEAERO CCC(=O)N(C[C@@H](C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000584652147 344973593 /nfs/dbraw/zinc/97/35/93/344973593.db2.gz JXBMAOBLTKKLQI-OAHLLOKOSA-N 1 0 289.423 2.066 10 0 CEAERO CCC[NH2+][C@@H](C)c1cccc(SCC(=O)NC(N)=O)c1 ZINC000084126029 178798785 /nfs/dbraw/zinc/79/87/85/178798785.db2.gz VWLQCHCLPBCGLX-JTQLQIEISA-N 1 0 295.408 2.034 10 0 CEAERO C[NH2+]CC1CCN(c2ccc(Br)cn2)CC1 ZINC000053664032 362498136 /nfs/dbraw/zinc/49/81/36/362498136.db2.gz UYSWNAOVUJJCFY-UHFFFAOYSA-N 1 0 284.201 2.280 10 0 CEAERO [NH3+]C1(CC(=O)Nc2ccc(N3CCCC3)nc2)CCCC1 ZINC000084166526 178811835 /nfs/dbraw/zinc/81/18/35/178811835.db2.gz XANOKHMMSYUQQY-UHFFFAOYSA-N 1 0 288.395 2.282 10 0 CEAERO CC(C)([NH3+])CC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000084168070 178812573 /nfs/dbraw/zinc/81/25/73/178812573.db2.gz OIMKDWLAYFBXHQ-RKDXNWHRSA-N 1 0 266.307 2.351 10 0 CEAERO C[NH2+][C@H](C)C(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC000054073380 362508819 /nfs/dbraw/zinc/50/88/19/362508819.db2.gz AIUYIOWGYGUFGF-MRVPVSSYSA-N 1 0 276.258 2.174 10 0 CEAERO Cc1ccccc1CN(C)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054291194 362523069 /nfs/dbraw/zinc/52/30/69/362523069.db2.gz RSQUBVPKGLZJEH-AWEZNQCLSA-N 1 0 260.381 2.343 10 0 CEAERO COC(=O)c1cccc(NC(=O)C[C@H]2CCC[NH2+]C2)c1C ZINC000054307075 362525654 /nfs/dbraw/zinc/52/56/54/362525654.db2.gz UIVWMVHJZHZJMD-GFCCVEGCSA-N 1 0 290.363 2.110 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000054307530 362526344 /nfs/dbraw/zinc/52/63/44/362526344.db2.gz AUJPLXGJBJUYNK-WDEREUQCSA-N 1 0 278.318 2.177 10 0 CEAERO Cc1cc(F)ccc1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000127365788 187300581 /nfs/dbraw/zinc/30/05/81/187300581.db2.gz DMVABTXXKUPGPI-FUNVUKJBSA-N 1 0 262.328 2.147 10 0 CEAERO COc1c(C)cnc(C[C@@H]([NH3+])[C@H]2CCSC2)c1C ZINC000097053199 185516961 /nfs/dbraw/zinc/51/69/61/185516961.db2.gz FMQVEGNRYLMFSO-NWDGAFQWSA-N 1 0 266.410 2.330 10 0 CEAERO C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1ccc2nncn2n1 ZINC000295097296 199343154 /nfs/dbraw/zinc/34/31/54/199343154.db2.gz SWEOHPMUHUPOFC-ZDUSSCGKSA-N 1 0 296.378 2.057 10 0 CEAERO COc1ccc([C@H]2[NH2+]CC[C@@H]2C)c(OC)c1OC ZINC000084237872 178830066 /nfs/dbraw/zinc/83/00/66/178830066.db2.gz FICYYGMVGMZCGO-CABZTGNLSA-N 1 0 251.326 2.383 10 0 CEAERO CCC[C@H]1CC[C@H](C[NH3+])[C@H](S(=O)(=O)CCC)C1 ZINC000084270386 178836826 /nfs/dbraw/zinc/83/68/26/178836826.db2.gz PCHVDZKGIMJBSB-YNEHKIRRSA-N 1 0 261.431 2.355 10 0 CEAERO COc1cc(-c2noc([C@H]3CC[C@@H]([NH3+])C3)n2)ccc1O ZINC000097067600 185520428 /nfs/dbraw/zinc/52/04/28/185520428.db2.gz NZNLSBTUUUTFKR-VHSXEESVSA-N 1 0 275.308 2.046 10 0 CEAERO [NH3+]C[C@H](CS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000084267675 178835459 /nfs/dbraw/zinc/83/54/59/178835459.db2.gz PSJGUAOYLLFANP-CQSZACIVSA-N 1 0 275.373 2.203 10 0 CEAERO C[C@@H]1CC[C@@H](C[NH3+])[C@H](S(=O)(=O)c2cccs2)C1 ZINC000084269168 178835674 /nfs/dbraw/zinc/83/56/74/178835674.db2.gz WTQSDIDGKKTETD-OUAUKWLOSA-N 1 0 273.423 2.285 10 0 CEAERO COc1ccc(S(=O)(=O)[C@@H]2C[C@H](C)CC[C@@H]2C[NH3+])cc1 ZINC000084268720 178835719 /nfs/dbraw/zinc/83/57/19/178835719.db2.gz ASWJLCCSRPTJAV-LALPHHSUSA-N 1 0 297.420 2.232 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)CSCc1ccc(F)cc1 ZINC000591676580 345273001 /nfs/dbraw/zinc/27/30/01/345273001.db2.gz YCWMKZDLDABTBQ-JSGCOSHPSA-N 1 0 296.411 2.303 10 0 CEAERO CCn1nc(C)c(Br)c1C[C@@H]([NH3+])C(C)C ZINC000084279325 178842122 /nfs/dbraw/zinc/84/21/22/178842122.db2.gz XEHQJMKJQVMBJV-SECBINFHSA-N 1 0 274.206 2.500 10 0 CEAERO CCc1nn(C)c(C[C@@H](CC)C[NH3+])c1Br ZINC000084296755 178848728 /nfs/dbraw/zinc/84/87/28/178848728.db2.gz DKTJXXJZRPTYLU-MRVPVSSYSA-N 1 0 274.206 2.272 10 0 CEAERO CCOC(=O)[C@](C)(N)C[C@@H](C)[N@H+](C)CC(C)(C)C ZINC000084347799 178860475 /nfs/dbraw/zinc/86/04/75/178860475.db2.gz CEXNWZPPHVWBOM-BXUZGUMPSA-N 1 0 258.406 2.023 10 0 CEAERO C[NH2+][C@H](C)C[C@H](C)S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000084356778 178867585 /nfs/dbraw/zinc/86/75/85/178867585.db2.gz ZNYUUKNETPNMAK-NEPJUHHUSA-N 1 0 281.421 2.336 10 0 CEAERO CCCc1cc(=O)[nH]c(S[C@H](C)C[C@H](C)[NH2+]C)n1 ZINC000084360987 178869246 /nfs/dbraw/zinc/86/92/46/178869246.db2.gz LYMPSZLTJATIQK-VHSXEESVSA-N 1 0 269.414 2.201 10 0 CEAERO CC[NH+](CC)C[C@H](C)Nc1c(N)c(C)nn1C(C)C ZINC000097145290 185548170 /nfs/dbraw/zinc/54/81/70/185548170.db2.gz IDBYMGLDMIGYRS-NSHDSACASA-N 1 0 267.421 2.497 10 0 CEAERO C[NH+](C)C[C@H]1CN(C(=O)Nc2ccccc2Cl)CCO1 ZINC000116928834 232201878 /nfs/dbraw/zinc/20/18/78/232201878.db2.gz FLYRJBMROLZEAJ-NSHDSACASA-N 1 0 297.786 2.134 10 0 CEAERO CCc1cc(CC2(C[NH2+]CCOC)CC2)n(CC)n1 ZINC000097148378 185549207 /nfs/dbraw/zinc/54/92/07/185549207.db2.gz LWZRLSRKGRLJAV-UHFFFAOYSA-N 1 0 265.401 2.024 10 0 CEAERO C[NH2+][C@H](C)C[C@H](C)Oc1ccc2c(c1)CCC(=O)N2 ZINC000084394330 178881162 /nfs/dbraw/zinc/88/11/62/178881162.db2.gz QXCOGAKGPARVPQ-MNOVXSKESA-N 1 0 262.353 2.337 10 0 CEAERO C[NH2+][C@H]1CCC[C@@H](S(=O)(=O)Cc2ccccc2C)C1 ZINC000084430376 178885967 /nfs/dbraw/zinc/88/59/67/178885967.db2.gz BKAAUUAGNAMFII-LSDHHAIUSA-N 1 0 281.421 2.440 10 0 CEAERO C[NH2+][C@H](c1ccc(C(F)(F)F)cn1)[C@H]1CCOC1 ZINC000097181578 185556601 /nfs/dbraw/zinc/55/66/01/185556601.db2.gz SBCNCXNDHYDVPN-KWQFWETISA-N 1 0 260.259 2.397 10 0 CEAERO CCCn1nccc1[C@H]([NH2+]CC)c1cc(C)nnc1C ZINC000097184463 185557105 /nfs/dbraw/zinc/55/71/05/185557105.db2.gz LXTXDSJLWLBWNJ-OAHLLOKOSA-N 1 0 273.384 2.399 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N(CC(C)C)C2CC2)C1 ZINC000057870477 362598004 /nfs/dbraw/zinc/59/80/04/362598004.db2.gz GUEDMDXUIGAZFX-ZDUSSCGKSA-N 1 0 267.417 2.301 10 0 CEAERO CCCCN(CC)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000057870115 362598138 /nfs/dbraw/zinc/59/81/38/362598138.db2.gz WOIKBPGWWRKRBO-ZDUSSCGKSA-N 1 0 255.406 2.302 10 0 CEAERO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000057879217 362599241 /nfs/dbraw/zinc/59/92/41/362599241.db2.gz ZFHYFVUEURBNSW-VXGBXAGGSA-N 1 0 291.395 2.305 10 0 CEAERO CCc1cc(C[C@](C)(O)C[NH2+]C(C)(C)C)n(CC)n1 ZINC000097210691 185564480 /nfs/dbraw/zinc/56/44/80/185564480.db2.gz BQUQVOXYIJEJHI-HNNXBMFYSA-N 1 0 267.417 2.147 10 0 CEAERO CC(C)C[NH2+]C[C@](C)(O)[C@@H]1CCc2ccccc2N1 ZINC000097210890 185564995 /nfs/dbraw/zinc/56/49/95/185564995.db2.gz PXWYCGIGMWEUPH-HOTGVXAUSA-N 1 0 262.397 2.410 10 0 CEAERO [NH3+]CCC[C@@H]1CCCN1C(=O)Cc1ccccc1F ZINC000084639041 178908134 /nfs/dbraw/zinc/90/81/34/178908134.db2.gz PTXPGYXYBGLKFN-CYBMUJFWSA-N 1 0 264.344 2.098 10 0 CEAERO C[NH2+][C@@H](CC[C@@H](C)OC)Cc1c(Cl)c(C)nn1C ZINC000097273835 185575925 /nfs/dbraw/zinc/57/59/25/185575925.db2.gz UUQNSPBZLHUXMP-KOLCDFICSA-N 1 0 273.808 2.328 10 0 CEAERO CC[NH2+][C@@H](CCSC)Cc1ncnn1C(C)C ZINC000097277588 185576765 /nfs/dbraw/zinc/57/67/65/185576765.db2.gz AHEISAGZORPPTM-NSHDSACASA-N 1 0 256.419 2.133 10 0 CEAERO CCc1cc(C[C@H](C[C@@H](C)COC)[NH2+]C)n(CC)n1 ZINC000097280025 185578094 /nfs/dbraw/zinc/57/80/94/185578094.db2.gz YYLXKDOIWXBOCV-OCCSQVGLSA-N 1 0 267.417 2.269 10 0 CEAERO Cc1cc([C@@H]([NH3+])[C@@H]2CCOC3(CCOCC3)C2)c(C)nn1 ZINC000097310934 185584179 /nfs/dbraw/zinc/58/41/79/185584179.db2.gz RXAWJBCILJHNRC-HIFRSBDPSA-N 1 0 291.395 2.069 10 0 CEAERO C[NH2+][C@H](CCc1c(C)nn(C)c1C)Cc1nccs1 ZINC000097314039 185585074 /nfs/dbraw/zinc/58/50/74/185585074.db2.gz HEDNWYOKMCNJPY-GFCCVEGCSA-N 1 0 278.425 2.257 10 0 CEAERO CCOCC[C@@H]([NH3+])[C@@H]1CCOC2(CCSCC2)C1 ZINC000097340664 185587719 /nfs/dbraw/zinc/58/77/19/185587719.db2.gz HZLLQFJWZMYSNV-CHWSQXEVSA-N 1 0 273.442 2.433 10 0 CEAERO CCC[NH2+][C@H](Cc1ccn(C)n1)[C@H]1CCSC1 ZINC000097380281 185595162 /nfs/dbraw/zinc/59/51/62/185595162.db2.gz AKUCPXAIFXQLND-WCQYABFASA-N 1 0 253.415 2.084 10 0 CEAERO CCC[NH2+]C[C@@H](O)Cc1ccc(F)c(Br)c1 ZINC000084993059 178941082 /nfs/dbraw/zinc/94/10/82/178941082.db2.gz UVYWYNVEWDCEMR-JTQLQIEISA-N 1 0 290.176 2.491 10 0 CEAERO CC[C@H]([NH3+])[C@@](C)(CCO)c1ccc(OC)cc1OC ZINC000097435180 185603181 /nfs/dbraw/zinc/60/31/81/185603181.db2.gz YDNVNDPJZZFVRB-GJZGRUSLSA-N 1 0 267.369 2.081 10 0 CEAERO COc1ccc([C@H](CCO)[C@@H](C)[NH3+])cc1OC(F)F ZINC000097434997 185603449 /nfs/dbraw/zinc/60/34/49/185603449.db2.gz CPMNPWSDKVXCSV-PSASIEDQSA-N 1 0 275.295 2.110 10 0 CEAERO CCCn1nncc1[C@@H]([NH3+])c1cccc2ncccc21 ZINC000097418732 185600057 /nfs/dbraw/zinc/60/00/57/185600057.db2.gz SZOJIPHVOBHBSD-HNNXBMFYSA-N 1 0 267.336 2.284 10 0 CEAERO COC(=O)C[C@H](C[NH3+])c1c(OC)ccc2ccccc21 ZINC000097430572 185601337 /nfs/dbraw/zinc/60/13/37/185601337.db2.gz BUXNOJNZSGDTFA-GFCCVEGCSA-N 1 0 273.332 2.454 10 0 CEAERO COC(=O)C[C@H](C[NH3+])c1ccccc1C(F)(F)F ZINC000097430365 185601779 /nfs/dbraw/zinc/60/17/79/185601779.db2.gz QTWANXHVQSUYCD-MRVPVSSYSA-N 1 0 261.243 2.311 10 0 CEAERO COC(=O)C[C@](C)(C[NH3+])c1ccc(F)c(Cl)c1 ZINC000097430422 185601985 /nfs/dbraw/zinc/60/19/85/185601985.db2.gz TYLQUJDKTJQUMB-GFCCVEGCSA-N 1 0 259.708 2.259 10 0 CEAERO CC[C@H]([NH3+])[C@H](CC(=O)OC)c1ccc(OC)cc1 ZINC000097432266 185602310 /nfs/dbraw/zinc/60/23/10/185602310.db2.gz OJVYVMBLKUYRGK-OLZOCXBDSA-N 1 0 251.326 2.079 10 0 CEAERO CN1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)CCC1=O ZINC000085134205 178954329 /nfs/dbraw/zinc/95/43/29/178954329.db2.gz JTNKKTSUKLRMBX-GARJFASQSA-N 1 0 278.318 2.318 10 0 CEAERO C[C@@H](CCO)Sc1ccc(Cl)cc1C(N)=[NH2+] ZINC000085144098 178955176 /nfs/dbraw/zinc/95/51/76/178955176.db2.gz PHMKFGAWUVPQRO-ZETCQYMHSA-N 1 0 258.774 2.487 10 0 CEAERO [NH3+][C@H](C[C@@H]1CCS(=O)(=O)C1)c1cc2cc(F)ccc2o1 ZINC000097447790 185607210 /nfs/dbraw/zinc/60/72/10/185607210.db2.gz HRIPLNJCQBDHDJ-JOYOIKCWSA-N 1 0 297.351 2.397 10 0 CEAERO C[C@H](CC[NH3+])CNC(=O)c1ccccc1OC(F)F ZINC000097440541 185604998 /nfs/dbraw/zinc/60/49/98/185604998.db2.gz CXDOXSZLWMXDII-SECBINFHSA-N 1 0 272.295 2.003 10 0 CEAERO [NH3+]CC1CCC(C(=O)Nc2ccc(Cl)nc2)CC1 ZINC000097467134 185611639 /nfs/dbraw/zinc/61/16/39/185611639.db2.gz VVNFACDUONLUEG-UHFFFAOYSA-N 1 0 267.760 2.439 10 0 CEAERO CC(C)n1ccc(CC2(O)CC[NH+](C(C)C)CC2)n1 ZINC000085167991 178960735 /nfs/dbraw/zinc/96/07/35/178960735.db2.gz HAXALFOTFBNCKI-UHFFFAOYSA-N 1 0 265.401 2.242 10 0 CEAERO CC(C)[C@@H]1CCN(C(=O)C2CCC(C[NH3+])CC2)C1 ZINC000097467400 185612207 /nfs/dbraw/zinc/61/22/07/185612207.db2.gz JPQMSQVXSVYWNK-JXQTWKCFSA-N 1 0 252.402 2.256 10 0 CEAERO C[NH+](C)C[C@H](NC(=O)[C@@H]1C[C@@H]1C1CC1)c1ccccc1 ZINC000176584801 232332193 /nfs/dbraw/zinc/33/21/93/232332193.db2.gz LSIZZGHOSIJEFI-OAGGEKHMSA-N 1 0 272.392 2.452 10 0 CEAERO CC[C@@H](C)n1ccc(CN2[C@H](C)C[NH2+]C[C@@H]2C)n1 ZINC000085180952 178964071 /nfs/dbraw/zinc/96/40/71/178964071.db2.gz QIOKUHNURGGFEA-UPJWGTAASA-N 1 0 250.390 2.036 10 0 CEAERO CCC(CC)n1ccc(CN2CCC[C@H]([NH2+]C)C2)n1 ZINC000085180907 178964419 /nfs/dbraw/zinc/96/44/19/178964419.db2.gz JNMYLSLDOQLNJW-ZDUSSCGKSA-N 1 0 264.417 2.428 10 0 CEAERO CC[NH2+][C@@H](CCOC)Cc1ccn([C@@H](C)CC)n1 ZINC000085182889 178965140 /nfs/dbraw/zinc/96/51/40/178965140.db2.gz ORVJRMBOTOPQGP-STQMWFEESA-N 1 0 253.390 2.411 10 0 CEAERO CC[C@@]([NH3+])(COC)Cc1ccn(C2CCCC2)n1 ZINC000085181789 178965219 /nfs/dbraw/zinc/96/52/19/178965219.db2.gz ZYSDGUXEHXWUPV-AWEZNQCLSA-N 1 0 251.374 2.295 10 0 CEAERO CC[NH2+][C@](C)(CO)CN1CCC(CC)(CC)CC1 ZINC000085213521 178976910 /nfs/dbraw/zinc/97/69/10/178976910.db2.gz PAJHCOPWDLOUBP-AWEZNQCLSA-N 1 0 256.434 2.249 10 0 CEAERO CCOc1cc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c(N)cc1F ZINC000094457830 136513287 /nfs/dbraw/zinc/51/32/87/136513287.db2.gz HXPKPTVQWTZOEG-RYUDHWBXSA-N 1 0 293.386 2.480 10 0 CEAERO CC[NH2+][C@H](CO)CCN(CC)c1ccc(F)cc1 ZINC000085214430 178978783 /nfs/dbraw/zinc/97/87/83/178978783.db2.gz NSGOJFMWYYZASO-ZDUSSCGKSA-N 1 0 254.349 2.013 10 0 CEAERO C[C@@H]([NH3+])[C@H]1CCCCN1c1ncnc2c1CCCC2 ZINC000094871389 136514825 /nfs/dbraw/zinc/51/48/25/136514825.db2.gz BVHUKVMMYCQBBU-BXUZGUMPSA-N 1 0 260.385 2.062 10 0 CEAERO CC[NH2+][C@](C)(CO)CCN(CC(F)(F)F)C(C)C ZINC000085241562 178981460 /nfs/dbraw/zinc/98/14/60/178981460.db2.gz RSNPBEBBDVAZRP-NSHDSACASA-N 1 0 270.339 2.010 10 0 CEAERO CCN(CC(F)(F)F)C[C@](CO)([NH2+]C(C)C)C1CC1 ZINC000085241596 178981895 /nfs/dbraw/zinc/98/18/95/178981895.db2.gz FSVHWZVVWQRRIC-GFCCVEGCSA-N 1 0 282.350 2.010 10 0 CEAERO [NH3+][C@H]1CCCN(c2nc3ccccc3nc2NC2CC2)C1 ZINC000095072329 136515634 /nfs/dbraw/zinc/51/56/34/136515634.db2.gz PFBFCXSMUXOVTF-NSHDSACASA-N 1 0 283.379 2.132 10 0 CEAERO Cc1nnc(N[C@@H](CCC[NH3+])c2ccccc2)nc1C ZINC000312307278 201905348 /nfs/dbraw/zinc/90/53/48/201905348.db2.gz AUKXAYQTRPZVDZ-AWEZNQCLSA-N 1 0 271.368 2.381 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)CCn1cc(C(F)(F)F)cn1 ZINC000085262925 178993173 /nfs/dbraw/zinc/99/31/73/178993173.db2.gz QERADHADLKUBGF-NSHDSACASA-N 1 0 279.306 2.041 10 0 CEAERO CC[C@](C)([C@@H](CC[C@@H]1CCCO1)NN)[NH+]1CCCC1 ZINC000097584522 185631164 /nfs/dbraw/zinc/63/11/64/185631164.db2.gz HPRFRFNRZOPOFN-RRFJBIMHSA-N 1 0 269.433 2.042 10 0 CEAERO CC[NH2+][C@@H](CO)COc1ccccc1C(C)(C)C ZINC000085283260 179001025 /nfs/dbraw/zinc/00/10/25/179001025.db2.gz GXTPIICGPYMNJW-LBPRGKRZSA-N 1 0 251.370 2.333 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)C[C@@H](C)OCC(F)(F)F ZINC000085282801 179001158 /nfs/dbraw/zinc/00/11/58/179001158.db2.gz HGNYAOIZTFOEDJ-NXEZZACHSA-N 1 0 257.296 2.093 10 0 CEAERO C[NH2+][C@@](C)(CO)C[C@H](C)Oc1ccc(C)cc1C ZINC000085283440 179001499 /nfs/dbraw/zinc/00/14/99/179001499.db2.gz VRGIGLSUCHDSNV-DZGCQCFKSA-N 1 0 251.370 2.431 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCCn1nc(C)c(CC)c1C ZINC000085264162 178993927 /nfs/dbraw/zinc/99/39/27/178993927.db2.gz YBOWFKMAVZGOQL-OAHLLOKOSA-N 1 0 267.417 2.203 10 0 CEAERO OC[C@](COc1cccc(F)c1)([NH2+]C1CC1)C1CC1 ZINC000085285522 179003452 /nfs/dbraw/zinc/00/34/52/179003452.db2.gz ULTGTHSXIAEGTD-OAHLLOKOSA-N 1 0 265.328 2.098 10 0 CEAERO CC[NH2+][C@](C)(CO)COc1cc(C)cc(C)c1C ZINC000085286085 179004109 /nfs/dbraw/zinc/00/41/09/179004109.db2.gz FSBKEFKLPUXBQS-OAHLLOKOSA-N 1 0 251.370 2.351 10 0 CEAERO C[NH2+][C@@](C)(CO)CCCOc1ccc(F)c(F)c1 ZINC000085286786 179004853 /nfs/dbraw/zinc/00/48/53/179004853.db2.gz QDUCOWXJPQAIEN-CYBMUJFWSA-N 1 0 259.296 2.094 10 0 CEAERO COCCCSCCC[C@@](C)(CO)[NH2+]C1CC1 ZINC000085289975 179005700 /nfs/dbraw/zinc/00/57/00/179005700.db2.gz HZAFDKRXVFVHPQ-ZDUSSCGKSA-N 1 0 261.431 2.039 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)C[C@@H](C)Sc1cnccn1 ZINC000085289629 179006243 /nfs/dbraw/zinc/00/62/43/179006243.db2.gz UJZMOOHEIADWNM-DGCLKSJQSA-N 1 0 269.414 2.096 10 0 CEAERO C[C@H](C[C@](C)([NH3+])CO)Sc1nc2ccccc2o1 ZINC000085292365 179007683 /nfs/dbraw/zinc/00/76/83/179007683.db2.gz YIQFTKYUZYJNED-RNCFNFMXSA-N 1 0 266.366 2.408 10 0 CEAERO C[NH2+][C@@](CO)(CSc1ccccc1C)C1CC1 ZINC000085297065 179008571 /nfs/dbraw/zinc/00/85/71/179008571.db2.gz WARDIRIHKKZNKC-AWEZNQCLSA-N 1 0 251.395 2.448 10 0 CEAERO C[C@@]([NH3+])(CO)CCCSc1ncnc2ccccc21 ZINC000085297262 179008623 /nfs/dbraw/zinc/00/86/23/179008623.db2.gz WLBPGPXXMOVXHD-AWEZNQCLSA-N 1 0 277.393 2.212 10 0 CEAERO C[NH2+][C@@](C)(CO)CCSc1ccc(F)cc1F ZINC000085298301 179009401 /nfs/dbraw/zinc/00/94/01/179009401.db2.gz SKTZXXQCHQABMY-GFCCVEGCSA-N 1 0 261.337 2.417 10 0 CEAERO CCC[NH2+][C@H](CO)CCOc1cc(C)cc(C)c1 ZINC000085284740 179003064 /nfs/dbraw/zinc/00/30/64/179003064.db2.gz IACZDAOXCVNQCZ-AWEZNQCLSA-N 1 0 251.370 2.433 10 0 CEAERO Cc1cc(C)c(C)c(O[C@H](C)C[C@](C)(O)C[NH3+])c1 ZINC000085307372 179012601 /nfs/dbraw/zinc/01/26/01/179012601.db2.gz WJZHRTFEIRWXQN-DOMZBBRYSA-N 1 0 251.370 2.479 10 0 CEAERO C[C@@H](C[C@](C)(O)C[NH3+])Oc1cccc2cccnc21 ZINC000085306276 179012694 /nfs/dbraw/zinc/01/26/94/179012694.db2.gz WDJSFHUYMOCYSF-NHYWBVRUSA-N 1 0 260.337 2.102 10 0 CEAERO CCCOc1ccc(O[C@H](C)C[C@](C)(O)C[NH3+])cc1 ZINC000085307411 179012768 /nfs/dbraw/zinc/01/27/68/179012768.db2.gz FLDXXESATNBGED-DOMZBBRYSA-N 1 0 267.369 2.343 10 0 CEAERO Cc1cc(C)c(C)c(O[C@@H](C)C[C@](C)(O)C[NH3+])c1 ZINC000085307368 179012797 /nfs/dbraw/zinc/01/27/97/179012797.db2.gz WJZHRTFEIRWXQN-WFASDCNBSA-N 1 0 251.370 2.479 10 0 CEAERO C[C@H]([NH3+])CSCc1noc(-c2ccsc2)n1 ZINC000085314180 179013815 /nfs/dbraw/zinc/01/38/15/179013815.db2.gz VGCGZSXMPVDCAF-ZETCQYMHSA-N 1 0 255.368 2.379 10 0 CEAERO CCC[NH2+][C@@H](CCO)c1ccc(OC)c(OC)c1 ZINC000085320617 179014335 /nfs/dbraw/zinc/01/43/35/179014335.db2.gz NFADESNSJHGZJJ-LBPRGKRZSA-N 1 0 253.342 2.127 10 0 CEAERO COc1cc(-c2noc([C@@H]3CCC[C@H]3[NH3+])n2)ccc1O ZINC000085325242 179017980 /nfs/dbraw/zinc/01/79/80/179017980.db2.gz ALRXCXQNXCYMKF-NXEZZACHSA-N 1 0 275.308 2.046 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)OCCOc1ccccc1 ZINC000085331115 179020583 /nfs/dbraw/zinc/02/05/83/179020583.db2.gz JELIPACHDZMACH-UONOGXRCSA-N 1 0 263.337 2.126 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)Nc1cccc2cccnc21 ZINC000085355469 179030244 /nfs/dbraw/zinc/03/02/44/179030244.db2.gz DUOLMHQFZURHGL-NWDGAFQWSA-N 1 0 255.321 2.301 10 0 CEAERO COc1ccc(OC)c(NC(=O)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000085356073 179030361 /nfs/dbraw/zinc/03/03/61/179030361.db2.gz UDXNQIZBVBHJHI-NWDGAFQWSA-N 1 0 278.352 2.160 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1cccc2ncccc21 ZINC000085355859 179030370 /nfs/dbraw/zinc/03/03/70/179030370.db2.gz TVGDJYGVMCUGOI-ZYHUDNBSSA-N 1 0 255.321 2.301 10 0 CEAERO CN(C)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000085359045 179031806 /nfs/dbraw/zinc/03/18/06/179031806.db2.gz AHBCNSIRGCQKDZ-KGLIPLIRSA-N 1 0 261.369 2.209 10 0 CEAERO CC(=O)Nc1ccc(C)c(NC(=O)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000085359597 179032105 /nfs/dbraw/zinc/03/21/05/179032105.db2.gz WLVNYRVSVSFZCA-UONOGXRCSA-N 1 0 289.379 2.409 10 0 CEAERO C[C@@H](NC(=O)[C@H]1CCC[C@@H]1[NH3+])c1cc(F)ccc1F ZINC000085360054 179032410 /nfs/dbraw/zinc/03/24/10/179032410.db2.gz FOWQYZZADCCDIC-DVYJOKAKSA-N 1 0 268.307 2.269 10 0 CEAERO COc1ccc([C@H](C)NC(=O)[C@@H]2CCC[C@@H]2[NH3+])c(OC)c1 ZINC000085360057 179032587 /nfs/dbraw/zinc/03/25/87/179032587.db2.gz MTGYNWNDROFFEC-GDLCADMTSA-N 1 0 292.379 2.008 10 0 CEAERO CC(=O)Nc1ccc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])cc1Cl ZINC000085361543 179033481 /nfs/dbraw/zinc/03/34/81/179033481.db2.gz KPQUTHIXRLAELQ-JQWIXIFHSA-N 1 0 295.770 2.364 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)Nc1cnc2ccccc2c1 ZINC000085361605 179033593 /nfs/dbraw/zinc/03/35/93/179033593.db2.gz ANBRZIFAWPXMSL-STQMWFEESA-N 1 0 255.321 2.301 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000085363170 179034865 /nfs/dbraw/zinc/03/48/65/179034865.db2.gz PXNJXVSUPVODHP-ZIAGYGMSSA-N 1 0 282.347 2.210 10 0 CEAERO CCOc1ccc([C@H](C)NC(=O)[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000085364823 179036104 /nfs/dbraw/zinc/03/61/04/179036104.db2.gz GHXPCWXYQMBECM-CQDKDKBSSA-N 1 0 276.380 2.390 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1cccc2n[nH]cc21 ZINC000085366220 179036946 /nfs/dbraw/zinc/03/69/46/179036946.db2.gz KXJLZTMDMGYSJP-MWLCHTKSSA-N 1 0 258.325 2.019 10 0 CEAERO CCOc1ccc(CN(C)C(=O)[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000085366487 179037181 /nfs/dbraw/zinc/03/71/81/179037181.db2.gz FBKKRWBQDNDOFT-GJZGRUSLSA-N 1 0 276.380 2.171 10 0 CEAERO C[C@@H](c1cccs1)N(C)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085369132 179038484 /nfs/dbraw/zinc/03/84/84/179038484.db2.gz SXDAXGLJLRDSOH-AXFHLTTASA-N 1 0 252.383 2.395 10 0 CEAERO Cc1cccc(OCCN(C)C(=O)[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000085368778 179038593 /nfs/dbraw/zinc/03/85/93/179038593.db2.gz YBFIUXFYTCNSQY-CVEARBPZSA-N 1 0 290.407 2.350 10 0 CEAERO CCC1CCC(CNC(=O)[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000085369591 179039054 /nfs/dbraw/zinc/03/90/54/179039054.db2.gz VFSMJAHFRINFAY-CLRIEMFWSA-N 1 0 252.402 2.446 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)NCCc1ccc(Cl)cc1 ZINC000085371730 179041910 /nfs/dbraw/zinc/04/19/10/179041910.db2.gz FLFDPRPHIKLACP-CHWSQXEVSA-N 1 0 266.772 2.126 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1nc2c(s1)CCCC2 ZINC000085372720 179042370 /nfs/dbraw/zinc/04/23/70/179042370.db2.gz IQEBPLGESDLQMQ-NXEZZACHSA-N 1 0 279.409 2.478 10 0 CEAERO Cc1nc(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])sc1C ZINC000085372473 179042488 /nfs/dbraw/zinc/04/24/88/179042488.db2.gz LMHAQWQOJSZYTA-NXEZZACHSA-N 1 0 253.371 2.216 10 0 CEAERO CC[C@@H](NC(=O)[C@@H]1CCCC[C@@H]1[NH3+])c1nccs1 ZINC000085376272 179044448 /nfs/dbraw/zinc/04/44/48/179044448.db2.gz BKDWGPZOFJWKMZ-OUAUKWLOSA-N 1 0 267.398 2.228 10 0 CEAERO Cc1csc([C@@H](C)NC(=O)[C@H]2CCCC[C@@H]2[NH3+])n1 ZINC000085376299 179044723 /nfs/dbraw/zinc/04/47/23/179044723.db2.gz VSPNDOKRDILUIJ-VWYCJHECSA-N 1 0 267.398 2.146 10 0 CEAERO CCO[C@H]1C[C@H]([NH2+][C@@H](CC(C)C)C(=O)N(C)C)C1(C)C ZINC000085381554 179045408 /nfs/dbraw/zinc/04/54/08/179045408.db2.gz FLFHLRRNBVJEEF-IHRRRGAJSA-N 1 0 284.444 2.283 10 0 CEAERO C[C@H](NC(=O)[C@H]1CCC[C@@H]1[NH3+])c1ccccc1F ZINC000085365455 179036360 /nfs/dbraw/zinc/03/63/60/179036360.db2.gz VSMMYXOURNDGIH-GAFUQQFSSA-N 1 0 250.317 2.130 10 0 CEAERO O=C([C@H]1CC[NH2+]C1)N1CCC(c2ccccc2)CC1 ZINC000062114718 362708294 /nfs/dbraw/zinc/70/82/94/362708294.db2.gz DVJMPCFPTCWBBR-HNNXBMFYSA-N 1 0 258.365 2.002 10 0 CEAERO CC(C)CO[C@H]1C[C@H]([NH2+][C@@H](C)CN2CCCC2=O)C1(C)C ZINC000085400775 179051952 /nfs/dbraw/zinc/05/19/52/179051952.db2.gz BNVZALQOQREWMX-KKUMJFAQSA-N 1 0 296.455 2.427 10 0 CEAERO CCC[C@H]1C[NH2+]C(C)(C)CN1CCn1ccnc1C ZINC000085469566 179074880 /nfs/dbraw/zinc/07/48/80/179074880.db2.gz PCTTUXRLJPLZNQ-AWEZNQCLSA-N 1 0 264.417 2.044 10 0 CEAERO C[C@@H](C[NH+]1CCCC1)Nc1ncncc1Br ZINC000085465458 179071016 /nfs/dbraw/zinc/07/10/16/179071016.db2.gz CJLQRODKEGBPND-VIFPVBQESA-N 1 0 285.189 2.135 10 0 CEAERO CCC[C@@H]1C[N@H+](CCCOC)[C@@](C)(C2CC2)CN1 ZINC000085466406 179071623 /nfs/dbraw/zinc/07/16/23/179071623.db2.gz GDDLVOAENJMYJZ-HUUCEWRRSA-N 1 0 254.418 2.266 10 0 CEAERO CCC[C@@H]1C[N@H+](C[C@@H]2CCOC2)[C@@](C)(CC)CN1 ZINC000085466141 179071852 /nfs/dbraw/zinc/07/18/52/179071852.db2.gz NJCMSUCBHJUZAP-ZNMIVQPWSA-N 1 0 254.418 2.266 10 0 CEAERO CC(C)C[C@H]1CN[C@H](C(C)C)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085466980 179072680 /nfs/dbraw/zinc/07/26/80/179072680.db2.gz QMFHDVIMWJMNPX-JYJNAYRXSA-N 1 0 268.445 2.367 10 0 CEAERO CC[C@]1(C)CN[C@@H](C(C)C)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085468035 179073156 /nfs/dbraw/zinc/07/31/56/179073156.db2.gz JANKOLICSATKHH-RRFJBIMHSA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@]1(C)C[NH2+][C@@H](C(C)C)CN1C[C@@H]1CCCO1 ZINC000085467889 179073512 /nfs/dbraw/zinc/07/35/12/179073512.db2.gz NHMPYYLJXSXNRW-RRFJBIMHSA-N 1 0 254.418 2.264 10 0 CEAERO CC(C)CCOCCN1CC[NH2+]C[C@@H]1C(C)(C)C ZINC000085451526 179066179 /nfs/dbraw/zinc/06/61/79/179066179.db2.gz CMJFXPUQYRQRRK-CQSZACIVSA-N 1 0 256.434 2.369 10 0 CEAERO CC(C)[C@@H]1CN[C@@H](C)C[N@@H+]1CCCOCC(F)(F)F ZINC000085453643 179066684 /nfs/dbraw/zinc/06/66/84/179066684.db2.gz FNNMYPATCWFSPJ-RYUDHWBXSA-N 1 0 282.350 2.274 10 0 CEAERO C[C@@H]1CN(CCOCC(F)(F)F)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085454626 179067998 /nfs/dbraw/zinc/06/79/98/179067998.db2.gz NXSKGVOXHDVLPN-ZYHUDNBSSA-N 1 0 280.334 2.028 10 0 CEAERO C[C@H]1CN(CC(F)F)[C@@](C)(c2ccccc2)C[NH2+]1 ZINC000085454541 179068093 /nfs/dbraw/zinc/06/80/93/179068093.db2.gz JGESVNXAHOLKHB-SMDDNHRTSA-N 1 0 254.324 2.461 10 0 CEAERO CC[C@H]1CN(CCOCC(F)(F)F)[C@@H](CC)C[NH2+]1 ZINC000085472123 179077511 /nfs/dbraw/zinc/07/75/11/179077511.db2.gz KYPMOLVRBUFGDU-QWRGUYRKSA-N 1 0 268.323 2.028 10 0 CEAERO CC(C)[C@H]1CN[C@H](C(C)(C)C)C[N@@H+]1[C@@H]1CCOC1 ZINC000085475917 179078398 /nfs/dbraw/zinc/07/83/98/179078398.db2.gz QBIYMUUANPLLKR-MCIONIFRSA-N 1 0 254.418 2.120 10 0 CEAERO CC[C@@H]1CN(C[C@@H]2CCCCO2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085475112 179078774 /nfs/dbraw/zinc/07/87/74/179078774.db2.gz SJJWGDOEXWQSAK-OWCLPIDISA-N 1 0 266.429 2.408 10 0 CEAERO CC[C@H]1CN(C[C@@H]2CCCCO2)[C@@](C)(CC)C[NH2+]1 ZINC000085474507 179079158 /nfs/dbraw/zinc/07/91/58/179079158.db2.gz OMXHXLCGFPAZLR-KKUMJFAQSA-N 1 0 254.418 2.408 10 0 CEAERO CC(C)(C)[C@@H]1C[N@H+](C[C@@H]2CCOC2)C(C)(C)CN1 ZINC000085486288 179080434 /nfs/dbraw/zinc/08/04/34/179080434.db2.gz HGDWHNGZMGNNGK-STQMWFEESA-N 1 0 254.418 2.121 10 0 CEAERO Cn1cc(CN2C[C@@H](C(C)(C)C)[NH2+]CC2(C)C)cn1 ZINC000085486306 179080561 /nfs/dbraw/zinc/08/05/61/179080561.db2.gz BNBOHMBXKJZYKV-ZDUSSCGKSA-N 1 0 264.417 2.019 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](CC(C)C)CN1Cc1cnn(C)c1 ZINC000085487506 179081002 /nfs/dbraw/zinc/08/10/02/179081002.db2.gz PJFMZFAFFVOYQE-GJZGRUSLSA-N 1 0 264.417 2.019 10 0 CEAERO CC[C@@H](C)[C@H]1C[N@H+](CCCOC)[C@H](C2CC2)CN1 ZINC000085492035 179081168 /nfs/dbraw/zinc/08/11/68/179081168.db2.gz MRINLDXISBYYGH-YUELXQCFSA-N 1 0 254.418 2.121 10 0 CEAERO CC(C)C[C@@H]1CN(Cc2ncccn2)C(C)(C)C[NH2+]1 ZINC000085488424 179081401 /nfs/dbraw/zinc/08/14/01/179081401.db2.gz KZMWMXGJCWZPKD-CYBMUJFWSA-N 1 0 262.401 2.075 10 0 CEAERO CCC[C@@H]1C[NH2+][C@H](Cc2ccccc2)CN1CCOC ZINC000085489457 179081491 /nfs/dbraw/zinc/08/14/91/179081491.db2.gz OYENADILTMBMED-IAGOWNOFSA-N 1 0 276.424 2.318 10 0 CEAERO CC[C@@H](C)[C@H]1CNC(C)(C)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085470177 179075225 /nfs/dbraw/zinc/07/52/25/179075225.db2.gz JMXNZSQRAGCEQE-HZSPNIEDSA-N 1 0 254.418 2.264 10 0 CEAERO CC(C)OCC[N@@H+]1CC(C)(C)NCC12CCCC2 ZINC000085471410 179075942 /nfs/dbraw/zinc/07/59/42/179075942.db2.gz FRPOYQAYFYDTSY-UHFFFAOYSA-N 1 0 254.418 2.408 10 0 CEAERO CCC[C@H]1CN[C@](C)(C2CC2)C[N@@H+]1CCOCC ZINC000085511102 179085362 /nfs/dbraw/zinc/08/53/62/179085362.db2.gz MVVHEWPDNABCJQ-GJZGRUSLSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1ccncc1 ZINC000085510936 179085413 /nfs/dbraw/zinc/08/54/13/179085413.db2.gz QSOZRQPVYXRSIC-CVEARBPZSA-N 1 0 259.397 2.434 10 0 CEAERO CC1(C)CN[C@@H](c2ccccc2)C[N@@H+]1CCn1cccn1 ZINC000085507534 179085797 /nfs/dbraw/zinc/08/57/97/179085797.db2.gz YKNKOKNNLFRWHB-MRXNPFEDSA-N 1 0 284.407 2.308 10 0 CEAERO CC[C@H](C)[C@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1ncccn1 ZINC000085512752 179086797 /nfs/dbraw/zinc/08/67/97/179086797.db2.gz LVSHAASNKJPSKD-YSVLISHTSA-N 1 0 288.439 2.465 10 0 CEAERO C[C@@]1(C2CC2)CN(CCn2cccn2)C2(CCCC2)C[NH2+]1 ZINC000085515786 179087356 /nfs/dbraw/zinc/08/73/56/179087356.db2.gz YSOBKANGJRUXTD-INIZCTEOSA-N 1 0 288.439 2.270 10 0 CEAERO CC[C@@H](C)n1ccc(CN2C[C@H](C3CC3)[NH2+]C[C@@H]2C)n1 ZINC000085521630 179087580 /nfs/dbraw/zinc/08/75/80/179087580.db2.gz DPXQCJZUAOTMBV-DVOMOZLQSA-N 1 0 276.428 2.426 10 0 CEAERO C[C@]1(C2CC2)C[N@H+](C[C@@H]2CCOC2)[C@@](C)(C2CC2)CN1 ZINC000085516412 179087669 /nfs/dbraw/zinc/08/76/69/179087669.db2.gz FOZBWUDRTKOFEF-IAOVAPTHSA-N 1 0 278.440 2.266 10 0 CEAERO CCC1(CC)CN(Cc2cnn(C)c2)[C@H](C(C)C)C[NH2+]1 ZINC000085518241 179087781 /nfs/dbraw/zinc/08/77/81/179087781.db2.gz NGUSDQDFXILWLW-HNNXBMFYSA-N 1 0 278.444 2.409 10 0 CEAERO C[C@@]1(C2CC2)CN(CCn2cccn2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085516237 179087939 /nfs/dbraw/zinc/08/79/39/179087939.db2.gz XGKMIHKAKFVPKU-DLBZAZTESA-N 1 0 288.439 2.126 10 0 CEAERO CCOCC[N@@H+]1C[C@@](C)(C2CC2)NCC12CCCC2 ZINC000085515688 179088065 /nfs/dbraw/zinc/08/80/65/179088065.db2.gz OCCDMLSNFLCQLO-HNNXBMFYSA-N 1 0 266.429 2.410 10 0 CEAERO C[C@@]1(C2CC2)CN(Cc2ncccn2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085516205 179088202 /nfs/dbraw/zinc/08/82/02/179088202.db2.gz MXSUNVRTPYBACR-DLBZAZTESA-N 1 0 286.423 2.219 10 0 CEAERO CC(C)OCCN1CC2(CCCC2)[NH2+]C[C@@H]1C1CC1 ZINC000085498230 179083042 /nfs/dbraw/zinc/08/30/42/179083042.db2.gz CHLCKLHDQKTCIB-OAHLLOKOSA-N 1 0 266.429 2.408 10 0 CEAERO CC[C@H](C)[C@H]1CNC2(CCCC2)C[N@@H+]1CCOC ZINC000085498219 179083473 /nfs/dbraw/zinc/08/34/73/179083473.db2.gz SMPHGPFWPVZIGK-UONOGXRCSA-N 1 0 254.418 2.266 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](c2ccccc2)CN1C[C@@H]1CCCO1 ZINC000085504574 179084272 /nfs/dbraw/zinc/08/42/72/179084272.db2.gz UVYYSTJQTBSAPN-VNQPRFMTSA-N 1 0 260.381 2.200 10 0 CEAERO CC[C@H]1CN[C@@H](c2ccccc2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085505527 179084633 /nfs/dbraw/zinc/08/46/33/179084633.db2.gz ZQWPDMGQHXDUBZ-BHYGNILZSA-N 1 0 274.408 2.448 10 0 CEAERO COCCOCCN1C[C@@H](C2CC2)[NH2+]CC12CCCCC2 ZINC000085529281 179090412 /nfs/dbraw/zinc/09/04/12/179090412.db2.gz UHODQQQAMWQTOK-INIZCTEOSA-N 1 0 296.455 2.036 10 0 CEAERO C[C@]1(C2CC2)CN[C@H](C2CC2)C[N@@H+]1CCCn1ccnc1 ZINC000085529330 179091363 /nfs/dbraw/zinc/09/13/63/179091363.db2.gz WISYGTCZQQGSGF-DLBZAZTESA-N 1 0 288.439 2.126 10 0 CEAERO C[C@]1(C2CC2)C[NH2+][C@@H](C2CC2)CN1Cc1cccnc1 ZINC000085529506 179091837 /nfs/dbraw/zinc/09/18/37/179091837.db2.gz CUHPGAOXYMQVTE-IAGOWNOFSA-N 1 0 271.408 2.434 10 0 CEAERO C[C@@H]1C[NH2+][C@H](C2CCCCC2)CN1Cc1cnn(C)c1 ZINC000085529782 179091847 /nfs/dbraw/zinc/09/18/47/179091847.db2.gz SBXUNYCJYXIWSD-CJNGLKHVSA-N 1 0 276.428 2.163 10 0 CEAERO Cc1ccc(F)c(O[C@H]2CC3(CC[C@H]2[NH3+])OCCO3)c1 ZINC000085553827 179093376 /nfs/dbraw/zinc/09/33/76/179093376.db2.gz YIDWUMWFUVTLRE-OCCSQVGLSA-N 1 0 281.327 2.136 10 0 CEAERO Cc1ccc(F)c(OC[C@](C)(CO)[NH2+]C(C)C)c1 ZINC000085565105 179094787 /nfs/dbraw/zinc/09/47/87/179094787.db2.gz VPZVEIHPOGUXIV-AWEZNQCLSA-N 1 0 255.333 2.262 10 0 CEAERO CCOc1ccc(-n2c(CC)nc3c2CC[NH2+]C3)cc1 ZINC000085569531 179095905 /nfs/dbraw/zinc/09/59/05/179095905.db2.gz JBIAZZUVRVCQHG-UHFFFAOYSA-N 1 0 271.364 2.479 10 0 CEAERO C[C@@H]([C@H]1CCCO1)n1c2c(nc1C(F)(F)F)C[NH2+]CC2 ZINC000085570171 179096659 /nfs/dbraw/zinc/09/66/59/179096659.db2.gz KTNWPLVVGCEUNL-GZMMTYOYSA-N 1 0 289.301 2.288 10 0 CEAERO COC[C@H](C)n1c2c(nc1C1CCCC1)C[NH2+]CC2 ZINC000085605888 179100461 /nfs/dbraw/zinc/10/04/61/179100461.db2.gz GAJVCVIPNFDCNJ-NSHDSACASA-N 1 0 263.385 2.394 10 0 CEAERO c1ccc(C[C@@H]2CN(Cc3ccccn3)CCC[NH2+]2)cc1 ZINC000085608718 179101327 /nfs/dbraw/zinc/10/13/27/179101327.db2.gz IYFXLZYSFZOYEW-GOSISDBHSA-N 1 0 281.403 2.488 10 0 CEAERO c1ccc(C[C@@H]2C[N@H+](CC3CCOCC3)CCCN2)cc1 ZINC000085608786 179101680 /nfs/dbraw/zinc/10/16/80/179101680.db2.gz UKQNCSQOMPESKX-GOSISDBHSA-N 1 0 288.435 2.320 10 0 CEAERO COc1cccc(CN2CCC[NH2+][C@@H](C(C)(C)C)C2)n1 ZINC000085613797 179103121 /nfs/dbraw/zinc/10/31/21/179103121.db2.gz DGGVRLOCUCOHBN-CQSZACIVSA-N 1 0 277.412 2.300 10 0 CEAERO c1ccc([C@@H]2C[N@H+](C[C@@H]3CCOC3)CCCN2)cc1 ZINC000085610946 179103410 /nfs/dbraw/zinc/10/34/10/179103410.db2.gz MKELDASGYDQSST-HOCLYGCPSA-N 1 0 260.381 2.060 10 0 CEAERO Cc1nccn1CCN1CCC[NH2+][C@@H](c2ccccc2)C1 ZINC000085610813 179103527 /nfs/dbraw/zinc/10/35/27/179103527.db2.gz BANCAYLEOUCFOH-QGZVFWFLSA-N 1 0 284.407 2.228 10 0 CEAERO C[C@H]1CC[NH2+]C2(CCCCC2)CN1Cc1ncccn1 ZINC000085620924 179105616 /nfs/dbraw/zinc/10/56/16/179105616.db2.gz FDCNZRNNPWFPSC-AWEZNQCLSA-N 1 0 274.412 2.363 10 0 CEAERO CC(C)C[C@H]1C[N@H+](C[C@@H]2CCOC2)[C@@H](C)CCN1 ZINC000085622143 179106022 /nfs/dbraw/zinc/10/60/22/179106022.db2.gz TWVQVRCRHANQOV-KKUMJFAQSA-N 1 0 254.418 2.121 10 0 CEAERO C[C@H](Cn1ccnc1)[NH2+][C@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085674141 179112024 /nfs/dbraw/zinc/11/20/24/179112024.db2.gz MCZASCKCECBAPO-RFGFWPKPSA-N 1 0 263.385 2.065 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+]C[C@@H](C)N(C)C)C12CCCC2 ZINC000085680301 179113440 /nfs/dbraw/zinc/11/34/40/179113440.db2.gz HPMQFTIFDHVQTM-MCIONIFRSA-N 1 0 254.418 2.264 10 0 CEAERO [NH3+][C@H](c1cc(F)cc(Br)c1)c1cnccn1 ZINC000085633746 179108517 /nfs/dbraw/zinc/10/85/17/179108517.db2.gz NNRVBMLNVKSYGF-LLVKDONJSA-N 1 0 282.116 2.426 10 0 CEAERO COCC[NH2+]C[C@H](O)c1ccc(Br)c(C)c1 ZINC000085708751 179122825 /nfs/dbraw/zinc/12/28/25/179122825.db2.gz NXQAIUYPSMXSTB-LBPRGKRZSA-N 1 0 288.185 2.027 10 0 CEAERO CC[NH2+][C@@H](C)[C@@H]1CCCN(c2cc(C)nc(C)n2)C1 ZINC000111716620 136563789 /nfs/dbraw/zinc/56/37/89/136563789.db2.gz XEZGSTYMVICGIL-GXTWGEPZSA-N 1 0 262.401 2.308 10 0 CEAERO C[NH+](C)C[C@H](O)Cc1cc(Br)ccc1F ZINC000085794267 179172833 /nfs/dbraw/zinc/17/28/33/179172833.db2.gz FCQUQKOSYPHXEC-SNVBAGLBSA-N 1 0 276.149 2.053 10 0 CEAERO Cc1ccc2c(c1)nc([C@@]1([NH3+])CCOC1)n2C(C)C ZINC000085849473 179187300 /nfs/dbraw/zinc/18/73/00/179187300.db2.gz UMBQYRMOJHCALF-OAHLLOKOSA-N 1 0 259.353 2.500 10 0 CEAERO [NH3+][C@]1(c2nc3cc(F)ccc3n2C2CC2)CCOC1 ZINC000085849562 179187607 /nfs/dbraw/zinc/18/76/07/179187607.db2.gz CROHIJYROGNMLH-CQSZACIVSA-N 1 0 261.300 2.085 10 0 CEAERO C[C@H](NC(=O)[C@@]1([NH3+])CCOC1)c1cccc2ccccc21 ZINC000085912832 179196752 /nfs/dbraw/zinc/19/67/52/179196752.db2.gz YSAUOTFLVHJFGK-YVEFUNNKSA-N 1 0 284.359 2.135 10 0 CEAERO C[C@H](NC(=O)[C@]1([NH3+])CCOC1)c1cccc2ccccc21 ZINC000085912828 179196780 /nfs/dbraw/zinc/19/67/80/179196780.db2.gz YSAUOTFLVHJFGK-SJCJKPOMSA-N 1 0 284.359 2.135 10 0 CEAERO CC[C@H](C[NH3+])[C@H](O)c1cc(Br)ccc1OC ZINC000085902380 179196231 /nfs/dbraw/zinc/19/62/31/179196231.db2.gz HNKWDPZLGVZVJN-PELKAZGASA-N 1 0 288.185 2.476 10 0 CEAERO COc1cc(C[NH2+]C[C@@H]2CCCC[C@H]2O)ccc1O ZINC000085963992 179205313 /nfs/dbraw/zinc/20/53/13/179205313.db2.gz PIUGMQDCCUKCCH-QWHCGFSZSA-N 1 0 265.353 2.042 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1CNC(=O)CCOc1ccccc1 ZINC000085964522 179205655 /nfs/dbraw/zinc/20/56/55/179205655.db2.gz LXGDAPJKSQNLEC-DZGCQCFKSA-N 1 0 276.380 2.089 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1CNC(=O)c1nccc2ccccc21 ZINC000085967626 179205847 /nfs/dbraw/zinc/20/58/47/179205847.db2.gz DDVXCBLJOYGZEN-HIFRSBDPSA-N 1 0 283.375 2.482 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1CNC(=O)Cc1cccc(F)c1 ZINC000085966186 179205967 /nfs/dbraw/zinc/20/59/67/179205967.db2.gz AUVPCIXJGLRKNF-OCCSQVGLSA-N 1 0 264.344 2.002 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1CNC(=O)c1cccc2cccnc21 ZINC000085966481 179206049 /nfs/dbraw/zinc/20/60/49/179206049.db2.gz DPCAHCJZJBYFTB-ZFWWWQNUSA-N 1 0 283.375 2.482 10 0 CEAERO Cc1ccc(CC(=O)NC[C@@H]2CCCC[C@H]2[NH3+])cc1C ZINC000085966900 179206080 /nfs/dbraw/zinc/20/60/80/179206080.db2.gz NXDCVOMWSALOFN-JKSUJKDBSA-N 1 0 274.408 2.480 10 0 CEAERO CCS(=O)(=O)c1ccc(NC[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000085973805 179207167 /nfs/dbraw/zinc/20/71/67/179207167.db2.gz NDFJDNRWVUEMQB-SWLSCSKDSA-N 1 0 296.436 2.410 10 0 CEAERO [NH3+]CC1([C@@H](O)c2ccc(Cl)s2)CCOCC1 ZINC000085916457 179198903 /nfs/dbraw/zinc/19/89/03/179198903.db2.gz ZHPXFJOVAXXAID-JTQLQIEISA-N 1 0 261.774 2.190 10 0 CEAERO O[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000085978296 179208343 /nfs/dbraw/zinc/20/83/43/179208343.db2.gz BHOYLZLBLRVKGH-CABCVRRESA-N 1 0 291.391 2.489 10 0 CEAERO Cc1cc(C)nc(NC[C@H](c2ccccn2)[NH+](C)C)n1 ZINC000065380254 362812091 /nfs/dbraw/zinc/81/20/91/362812091.db2.gz CXLRBSZBOBVUKU-CQSZACIVSA-N 1 0 271.368 2.203 10 0 CEAERO CCCC[NH2+]Cc1cnc2cnc(Br)cn12 ZINC000086004180 179214730 /nfs/dbraw/zinc/21/47/30/179214730.db2.gz RZMBTXBLWIMEKG-UHFFFAOYSA-N 1 0 283.173 2.382 10 0 CEAERO CCCc1ccc([C@H]([NH3+])[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000086019984 179217737 /nfs/dbraw/zinc/21/77/37/179217737.db2.gz QNBXTUVWPJBJGE-KGLIPLIRSA-N 1 0 267.394 2.074 10 0 CEAERO O=c1[nH]c([NH2+]C[C@H]2CCCC[C@H]2O)cc2ccccc21 ZINC000086015671 179216100 /nfs/dbraw/zinc/21/61/00/179216100.db2.gz YPMNCTANISMZLW-TZMCWYRMSA-N 1 0 272.348 2.491 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000085980074 179209248 /nfs/dbraw/zinc/20/92/48/179209248.db2.gz QKXWYGSXVAHXJD-HONMWMINSA-N 1 0 265.401 2.239 10 0 CEAERO Cc1ncsc1CC[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000085987372 179212707 /nfs/dbraw/zinc/21/27/07/179212707.db2.gz SAKTUVJASVGUTG-NEPJUHHUSA-N 1 0 254.399 2.135 10 0 CEAERO O[C@@H]1CCCC[C@@H]1C[NH2+]CC1(O)CCCCCC1 ZINC000085987283 179213079 /nfs/dbraw/zinc/21/30/79/179213079.db2.gz BCKIWZHORDNSKV-ZIAGYGMSSA-N 1 0 255.402 2.212 10 0 CEAERO CCC[NH2+][C@H]1CC[C@@H](Sc2n[nH]c(=O)n2C(C)C)[C@@H]1C ZINC000086045601 179222954 /nfs/dbraw/zinc/22/29/54/179222954.db2.gz IIIRGCKCYKIAGG-GRYCIOLGSA-N 1 0 298.456 2.411 10 0 CEAERO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC(=O)N(c3ccccc3)C2=O)[C@@H]1C ZINC000086075202 179225096 /nfs/dbraw/zinc/22/50/96/179225096.db2.gz QRPVHTGDZOIJJF-QHSBEEBCSA-N 1 0 286.375 2.343 10 0 CEAERO CCCc1ccc([C@@H]([NH3+])[C@H]2CCS(=O)(=O)C2)cc1 ZINC000086019995 179218240 /nfs/dbraw/zinc/21/82/40/179218240.db2.gz QNBXTUVWPJBJGE-UONOGXRCSA-N 1 0 267.394 2.074 10 0 CEAERO Cc1cc([C@H]([NH3+])[C@@H]2CCS(=O)(=O)C2)c(C)cc1Cl ZINC000086023045 179218812 /nfs/dbraw/zinc/21/88/12/179218812.db2.gz LWECSSASPYOUMF-ZWNOBZJWSA-N 1 0 287.812 2.391 10 0 CEAERO CCC[NH2+][C@H](Cc1ccccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000086026359 179220001 /nfs/dbraw/zinc/22/00/01/179220001.db2.gz XLSSTKOUVBFNGI-JKSUJKDBSA-N 1 0 295.448 2.340 10 0 CEAERO CCC[NH2+][C@H]1CC[C@H](S(=O)(=O)C(C)(C)C)[C@@H]1C ZINC000086040868 179221904 /nfs/dbraw/zinc/22/19/04/179221904.db2.gz RYYUNRBNAWHWDT-WOPDTQHZSA-N 1 0 261.431 2.366 10 0 CEAERO CC[NH2+][C@H]1CC[C@@H](S(=O)(=O)Cc2ccccc2)[C@@H]1C ZINC000086040862 179222041 /nfs/dbraw/zinc/22/20/41/179222041.db2.gz KWOVZYNBFVIQDX-VHDGCEQUSA-N 1 0 281.421 2.378 10 0 CEAERO Cc1ccccc1CS(=O)(=O)[C@H]1CC[C@H]([NH3+])[C@@H]1C ZINC000086041868 179222158 /nfs/dbraw/zinc/22/21/58/179222158.db2.gz HQIBCZAPFMQDHA-UBHSHLNASA-N 1 0 267.394 2.036 10 0 CEAERO c1ccc(C[C@H]2CN(CCc3ccccn3)CC[NH2+]2)cc1 ZINC000086130654 179237028 /nfs/dbraw/zinc/23/70/28/179237028.db2.gz IATPJDSMRZOTAV-SFHVURJKSA-N 1 0 281.403 2.141 10 0 CEAERO Cc1ncc(CN2CC[NH2+][C@@H](CC(C)C)C2)s1 ZINC000086144181 179237259 /nfs/dbraw/zinc/23/72/59/179237259.db2.gz IIDJGZMNXCSRFD-LBPRGKRZSA-N 1 0 253.415 2.271 10 0 CEAERO C[C@]1(c2ccccc2)CN(Cc2nccs2)CC[NH2+]1 ZINC000086144183 179237812 /nfs/dbraw/zinc/23/78/12/179237812.db2.gz GVFQQRLZLSJXMP-OAHLLOKOSA-N 1 0 273.405 2.464 10 0 CEAERO CC[C@H](C)[C@@H]1CN(CCc2cscn2)CC[NH2+]1 ZINC000086149450 179240329 /nfs/dbraw/zinc/24/03/29/179240329.db2.gz UPJKYHICQRVLDA-AAEUAGOBSA-N 1 0 253.415 2.006 10 0 CEAERO CCOCCCN1C[C@@H](C)[NH2+]C[C@@H]1c1ccccc1 ZINC000086153014 179240674 /nfs/dbraw/zinc/24/06/74/179240674.db2.gz QKQIKFVTQQKFJT-GDBMZVCRSA-N 1 0 262.397 2.448 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](Cc2ccccc2)CN1[C@@H](C)COC ZINC000086151889 179240703 /nfs/dbraw/zinc/24/07/03/179240703.db2.gz OWYZIXKOPKRQJN-XIRDDKMYSA-N 1 0 276.424 2.316 10 0 CEAERO CC[C@H](C)[C@@H]1C[N@H+]([C@@H](C)COC)[C@H](C(C)C)CN1 ZINC000086151859 179240747 /nfs/dbraw/zinc/24/07/47/179240747.db2.gz OOEQSOLEPZJZOA-AJNGGQMLSA-N 1 0 256.434 2.366 10 0 CEAERO CC[C@H](c1nccs1)N1CC[NH2+][C@H](C2CC2)C1 ZINC000086150521 179240824 /nfs/dbraw/zinc/24/08/24/179240824.db2.gz LAHABARDOFLOJY-NWDGAFQWSA-N 1 0 251.399 2.278 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C(C)C)CN1CCc1ccccn1 ZINC000086155992 179241199 /nfs/dbraw/zinc/24/11/99/179241199.db2.gz RZWMWVRHSLYABP-HOTGVXAUSA-N 1 0 261.413 2.333 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1c1cnn(CC)c1 ZINC000086154278 179241638 /nfs/dbraw/zinc/24/16/38/179241638.db2.gz VFRMEBKEXPHWQY-TZMCWYRMSA-N 1 0 250.390 2.116 10 0 CEAERO CC[C@H]1CN[C@H](C(C)C)C[N@@H+]1CC[C@@H]1CCCO1 ZINC000086173614 179244946 /nfs/dbraw/zinc/24/49/46/179244946.db2.gz HRNRTXPUVALYBD-KKUMJFAQSA-N 1 0 254.418 2.264 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1Cc1ccc(OC)nc1 ZINC000086175256 179245419 /nfs/dbraw/zinc/24/54/19/179245419.db2.gz PSEDWXXHEVBSBW-HUUCEWRRSA-N 1 0 277.412 2.299 10 0 CEAERO CC(C)[C@@H]1C[N@H+]([C@@H]2CCCOC2)[C@H](C(C)C)CN1 ZINC000086175690 179245484 /nfs/dbraw/zinc/24/54/84/179245484.db2.gz MRENFKSXFNAVLZ-ILXRZTDVSA-N 1 0 254.418 2.120 10 0 CEAERO Cc1cnc(CN2C[C@H](C)[NH2+]C[C@@H]2c2ccccc2)cn1 ZINC000086174960 179245542 /nfs/dbraw/zinc/24/55/42/179245542.db2.gz CYMYRUTXASTZIK-WMLDXEAASA-N 1 0 282.391 2.320 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C(C)C)CN1CCc1cscn1 ZINC000086175779 179245963 /nfs/dbraw/zinc/24/59/63/179245963.db2.gz IYJGJAIZBCGYQA-KBPBESRZSA-N 1 0 267.442 2.394 10 0 CEAERO CC[C@@H]1CN[C@@H](c2ccccc2)C[N@@H+]1[C@@H](C)COC ZINC000086179966 179246300 /nfs/dbraw/zinc/24/63/00/179246300.db2.gz CSTGADLCIBNKKT-NUEKZKHPSA-N 1 0 262.397 2.446 10 0 CEAERO Cc1cc(CN2CC[NH2+][C@H](c3ccccc3)C2)no1 ZINC000086146063 179238787 /nfs/dbraw/zinc/23/87/87/179238787.db2.gz BGLFBBFISGOUIM-HNNXBMFYSA-N 1 0 257.337 2.130 10 0 CEAERO CC[C@@]1(C)CN(C[C@@H]2Cc3ccccc3O2)CC[NH2+]1 ZINC000086146970 179239779 /nfs/dbraw/zinc/23/97/79/179239779.db2.gz FYSLGQOIAPISSZ-HOCLYGCPSA-N 1 0 260.381 2.064 10 0 CEAERO C[C@@H]([C@@H]1CCCO1)N1C[C@H](C(C)(C)C)[NH2+]C[C@@H]1C ZINC000086218237 179249423 /nfs/dbraw/zinc/24/94/23/179249423.db2.gz UFCRCXBHIYZDKG-XDQVBPFNSA-N 1 0 254.418 2.262 10 0 CEAERO CC(C)[C@H]1CNC(C)(C)C[N@@H+]1[C@@H](C)[C@@H]1CCCO1 ZINC000086218190 179249671 /nfs/dbraw/zinc/24/96/71/179249671.db2.gz WQMWVYALRZXKOA-MJBXVCDLSA-N 1 0 254.418 2.262 10 0 CEAERO CC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1CCc1ccccn1 ZINC000086221424 179250332 /nfs/dbraw/zinc/25/03/32/179250332.db2.gz CYYQFPHHBWBAAN-SJORKVTESA-N 1 0 273.424 2.477 10 0 CEAERO C[C@H]1C[NH2+][C@@H](C2CC2)CN1CCc1cccc(F)c1 ZINC000086218741 179250396 /nfs/dbraw/zinc/25/03/96/179250396.db2.gz SSJWNKAEYCUUIB-BLLLJJGKSA-N 1 0 262.372 2.441 10 0 CEAERO C[C@@H]1C[NH2+]C(C)(C)CN1CCc1cccc(F)c1 ZINC000086218746 179251289 /nfs/dbraw/zinc/25/12/89/179251289.db2.gz BULPDPZASZNIQR-GFCCVEGCSA-N 1 0 250.361 2.441 10 0 CEAERO C[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1CCc1cccnc1 ZINC000086223206 179251353 /nfs/dbraw/zinc/25/13/53/179251353.db2.gz UUNYRLLKVFOQCI-CZUORRHYSA-N 1 0 259.397 2.087 10 0 CEAERO CCC1(CC)CN(Cc2nccs2)[C@H](C)C[NH2+]1 ZINC000086226858 179252831 /nfs/dbraw/zinc/25/28/31/179252831.db2.gz WLJORZUTFVNHHS-LLVKDONJSA-N 1 0 253.415 2.496 10 0 CEAERO CC[C@@H]1C[NH2+]C(C)(C)CN1Cc1nc(C)cs1 ZINC000086227090 179252983 /nfs/dbraw/zinc/25/29/83/179252983.db2.gz DHCXMPUTAKZSDG-LLVKDONJSA-N 1 0 253.415 2.414 10 0 CEAERO CC[C@@H]1C[NH2+]C(CC)(CC)CN1c1cnn(CCOC)c1 ZINC000086227212 179254475 /nfs/dbraw/zinc/25/44/75/179254475.db2.gz MJAVQDSHNGKKLW-CQSZACIVSA-N 1 0 294.443 2.277 10 0 CEAERO C[C@H]1CNC2(CCCCC2)C[N@@H+]1C[C@@H]1CCCOC1 ZINC000086260106 179258994 /nfs/dbraw/zinc/25/89/94/179258994.db2.gz GKCJUYNKQBWTBF-GJZGRUSLSA-N 1 0 266.429 2.410 10 0 CEAERO CC(C)C[C@H]1C[N@H+](C[C@@H]2CCCOC2)[C@@H](C)CN1 ZINC000086260134 179259184 /nfs/dbraw/zinc/25/91/84/179259184.db2.gz ZSPXXWABZUQXPL-KKUMJFAQSA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1ccnc(C)n1 ZINC000086260187 179259286 /nfs/dbraw/zinc/25/92/86/179259286.db2.gz DDJDGEKMKIBYRV-CVEARBPZSA-N 1 0 274.412 2.138 10 0 CEAERO CC[C@H]1CNC2(CCCC2)C[N@@H+]1C[C@@H]1CCCOC1 ZINC000086260136 179259517 /nfs/dbraw/zinc/25/95/17/179259517.db2.gz YNFMMIBQVMFDFO-GJZGRUSLSA-N 1 0 266.429 2.410 10 0 CEAERO CCC1(CC)CN(Cc2nc(C)no2)[C@H](C(C)C)C[NH2+]1 ZINC000086260333 179259528 /nfs/dbraw/zinc/25/95/28/179259528.db2.gz OQCJWRXVNGSXNT-ZDUSSCGKSA-N 1 0 280.416 2.367 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C2CC2)CN1C[C@@H]1Cc2ccccc2O1 ZINC000086261680 179259888 /nfs/dbraw/zinc/25/98/88/179259888.db2.gz HTWZPJIEOHWNBF-ULQDDVLXSA-N 1 0 286.419 2.453 10 0 CEAERO CCC[C@@H]1CN(Cc2cnc(C)cn2)[C@H](C(C)C)C[NH2+]1 ZINC000086263123 179260159 /nfs/dbraw/zinc/26/01/59/179260159.db2.gz RYNXPUHKXDWCFT-ZBFHGGJFSA-N 1 0 276.428 2.384 10 0 CEAERO C[C@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1ccc2c(c1)OCO2 ZINC000086263402 179260579 /nfs/dbraw/zinc/26/05/79/179260579.db2.gz OTVCUFOECTVZOU-SJCJKPOMSA-N 1 0 288.391 2.378 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C2CC2)CN1Cc1ccc(C)nc1 ZINC000086263764 179260931 /nfs/dbraw/zinc/26/09/31/179260931.db2.gz TVSWBBRMAGGHAX-JKSUJKDBSA-N 1 0 259.397 2.352 10 0 CEAERO COc1ccc(CN2CC(C)(C)[NH2+]C[C@H]2C(C)C)cn1 ZINC000086263909 179261078 /nfs/dbraw/zinc/26/10/78/179261078.db2.gz QFVIYTWRBRHTEI-AWEZNQCLSA-N 1 0 277.412 2.299 10 0 CEAERO C[C@H]1C[NH2+][C@H](C2CCCCC2)CN1[C@@H]1CCCOC1 ZINC000086265184 179261796 /nfs/dbraw/zinc/26/17/96/179261796.db2.gz QNAREQUOSLRGQP-IMJJTQAJSA-N 1 0 266.429 2.408 10 0 CEAERO CC[C@@H]1CNC(CC)(CC)C[N@@H+]1[C@@H]1CCCOC1 ZINC000086265159 179262213 /nfs/dbraw/zinc/26/22/13/179262213.db2.gz KSMRHFGBUXLULI-ZIAGYGMSSA-N 1 0 254.418 2.408 10 0 CEAERO CC[C@H]1CN(CCc2ccc(F)cc2)CCC[NH2+]1 ZINC000086285652 179263443 /nfs/dbraw/zinc/26/34/43/179263443.db2.gz QIMAVIDUIRDBOD-HNNXBMFYSA-N 1 0 250.361 2.442 10 0 CEAERO CCC1(CC)C[N@H+](CC[C@H]2CCCO2)CCCN1 ZINC000086291427 179265663 /nfs/dbraw/zinc/26/56/63/179265663.db2.gz GLOIUSDYWDABTI-CQSZACIVSA-N 1 0 254.418 2.410 10 0 CEAERO Brc1csc(OC[C@H]2CCCC[NH2+]2)n1 ZINC000086291696 179266274 /nfs/dbraw/zinc/26/62/74/179266274.db2.gz YGHOPUYRLAWILK-SSDOTTSWSA-N 1 0 277.187 2.427 10 0 CEAERO Cc1cccnc1CN1CCC[NH2+][C@](C)(C2CC2)C1 ZINC000086297394 179267881 /nfs/dbraw/zinc/26/78/81/179267881.db2.gz XFQDRPGIVIQOHR-INIZCTEOSA-N 1 0 259.397 2.354 10 0 CEAERO CC[C@@]1(C)CN(Cc2ccnc(OC)c2)CCC[NH2+]1 ZINC000086296341 179268379 /nfs/dbraw/zinc/26/83/79/179268379.db2.gz JXEPFOMQVRFJID-HNNXBMFYSA-N 1 0 263.385 2.054 10 0 CEAERO C[C@@H]([NH3+])c1cccc(NC(=O)c2ccncc2F)c1 ZINC000086316285 179269985 /nfs/dbraw/zinc/26/99/85/179269985.db2.gz HWAADQSDDSTSJK-SECBINFHSA-N 1 0 259.284 2.493 10 0 CEAERO [NH3+]Cc1c[nH]nc1-c1cccc(Br)c1 ZINC000086442618 179293406 /nfs/dbraw/zinc/29/34/06/179293406.db2.gz VOINKFJDMYTQBL-UHFFFAOYSA-N 1 0 252.115 2.298 10 0 CEAERO CCN(c1nc2c(s1)CCC[C@@H]2[NH3+])[C@@H](C)COC ZINC000086443235 179293620 /nfs/dbraw/zinc/29/36/20/179293620.db2.gz CBFCUASQBVKKKL-UWVGGRQHSA-N 1 0 269.414 2.340 10 0 CEAERO COCCN(c1nc2c(s1)CCC[C@H]2[NH3+])C1CC1 ZINC000086443593 179293960 /nfs/dbraw/zinc/29/39/60/179293960.db2.gz LGMMFCJSFKZTQQ-SNVBAGLBSA-N 1 0 267.398 2.094 10 0 CEAERO C[NH2+][C@H]1CCCc2sc(N3CCC(OC)CC3)nc21 ZINC000086442652 179294034 /nfs/dbraw/zinc/29/40/34/179294034.db2.gz FCJVAHIXIMEELG-NSHDSACASA-N 1 0 281.425 2.355 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)c1ccc(C)c(O)c1 ZINC000086446441 179294514 /nfs/dbraw/zinc/29/45/14/179294514.db2.gz HXNQXNPQMDEJSJ-UONOGXRCSA-N 1 0 276.380 2.303 10 0 CEAERO CC[C@@H]1CN(C(=O)c2ccc3c(c2)COC3)[C@@H](CC)C[NH2+]1 ZINC000086447145 179295396 /nfs/dbraw/zinc/29/53/96/179295396.db2.gz ZZXJLQUDBAWWAL-CVEARBPZSA-N 1 0 288.391 2.319 10 0 CEAERO c1ccc2c(c1)C[C@H]2c1noc([C@@H]2CCC[NH2+]C2)n1 ZINC000086486491 179301725 /nfs/dbraw/zinc/30/17/25/179301725.db2.gz SOHBSPFQXDVDEU-DGCLKSJQSA-N 1 0 255.321 2.225 10 0 CEAERO CC(C)(C)[NH2+]Cc1cc(=O)[nH]c([C@@H]2Cc3ccccc32)n1 ZINC000086492499 179302559 /nfs/dbraw/zinc/30/25/59/179302559.db2.gz BGAOLUYGWDTMTP-CQSZACIVSA-N 1 0 283.375 2.346 10 0 CEAERO CC(C)(C)[NH2+]CCc1nc(-c2nccs2)c[nH]1 ZINC000086508879 179304027 /nfs/dbraw/zinc/30/40/27/179304027.db2.gz XNPXUHBPXZAUTD-UHFFFAOYSA-N 1 0 250.371 2.464 10 0 CEAERO CN1C(=[NH2+])NC[C@@H]1c1cc(Cl)ccc1Br ZINC000086458400 179296557 /nfs/dbraw/zinc/29/65/57/179296557.db2.gz AZJXTYPXVIIJMJ-SECBINFHSA-N 1 0 288.576 2.404 10 0 CEAERO C[NH2+][C@H](c1cscc1Br)[C@H]1COCCO1 ZINC000086555702 179307036 /nfs/dbraw/zinc/30/70/36/179307036.db2.gz JNDZHKHHMVPFBO-NXEZZACHSA-N 1 0 292.198 2.187 10 0 CEAERO [NH3+]C1([C@H]2CS(=O)(=O)c3ccccc32)CCCCC1 ZINC000086566689 179307596 /nfs/dbraw/zinc/30/75/96/179307596.db2.gz YASRFGZEMAHNRX-LBPRGKRZSA-N 1 0 265.378 2.219 10 0 CEAERO CC[NH2+]C[C@H](O)c1cscc1Br ZINC000086558325 179307713 /nfs/dbraw/zinc/30/77/13/179307713.db2.gz ZGVJHUQNJXLLQK-QMMMGPOBSA-N 1 0 250.161 2.154 10 0 CEAERO CCC([NH3+])(CC)[C@H]1CS(=O)(=O)c2ccccc21 ZINC000086567100 179307911 /nfs/dbraw/zinc/30/79/11/179307911.db2.gz SRUXDTFPPLVTOS-NSHDSACASA-N 1 0 253.367 2.075 10 0 CEAERO [NH3+]C[C@H]1CCN(c2cscc2Br)C1 ZINC000086556332 179307980 /nfs/dbraw/zinc/30/79/80/179307980.db2.gz ZMLMDQHJDJEERE-SSDOTTSWSA-N 1 0 261.188 2.296 10 0 CEAERO CO[C@H](C)[C@H]([NH3+])Cc1ccc(Br)cc1F ZINC000086575742 179308586 /nfs/dbraw/zinc/30/85/86/179308586.db2.gz FHVNSSGFSMROOC-RDDDGLTNSA-N 1 0 276.149 2.493 10 0 CEAERO COCCCN(C)[C@@H](C[NH3+])c1ccc(OC)c(Cl)c1 ZINC000086595110 179311235 /nfs/dbraw/zinc/31/12/35/179311235.db2.gz XUPJBILEQLDCRD-ZDUSSCGKSA-N 1 0 286.803 2.317 10 0 CEAERO Cc1nn(CC(C)(C)C[NH3+])c(C)c1Br ZINC000086595784 179310643 /nfs/dbraw/zinc/31/06/43/179310643.db2.gz HJULQCJMODLIMX-UHFFFAOYSA-N 1 0 260.179 2.247 10 0 CEAERO Cc1nc(S[C@@H](c2cnn(C)c2)[C@@H](C)[NH3+])nc(C)c1C ZINC000086643634 179315586 /nfs/dbraw/zinc/31/55/86/179315586.db2.gz WMVXTWYHVJPQNN-NOZJJQNGSA-N 1 0 291.424 2.316 10 0 CEAERO C[C@H](CNC1=[NH+]C[C@@H](C)CS1)N1CCCCC1 ZINC000086633173 179314820 /nfs/dbraw/zinc/31/48/20/179314820.db2.gz MQTVXRKQYOXNHN-VXGBXAGGSA-N 1 0 255.431 2.189 10 0 CEAERO CCO[C@@H](C[NH3+])CCSc1nc(C)c(C)c(C)n1 ZINC000086644218 179315813 /nfs/dbraw/zinc/31/58/13/179315813.db2.gz UCEMSQORZDTGPU-GFCCVEGCSA-N 1 0 269.414 2.248 10 0 CEAERO CS(=O)(=O)[C@H]1CCC[C@@H]1[NH2+]CCCOc1ccccc1 ZINC000086675869 179319626 /nfs/dbraw/zinc/31/96/26/179319626.db2.gz GTNNCZWWAUQQSS-GJZGRUSLSA-N 1 0 297.420 2.011 10 0 CEAERO COC[C@@H]([NH2+][C@H]1COc2cc(O)ccc21)C(C)C ZINC000086682586 179319853 /nfs/dbraw/zinc/31/98/53/179319853.db2.gz FRCCVFQOYZAUBA-OLZOCXBDSA-N 1 0 251.326 2.086 10 0 CEAERO CCN1CC[C@H]([NH2+][C@@H](C)c2ccc(OC)cc2OC)C1 ZINC000336897082 365940757 /nfs/dbraw/zinc/94/07/57/365940757.db2.gz OQTFJDOQTWJATB-STQMWFEESA-N 1 0 278.396 2.449 10 0 CEAERO Nc1cc(Br)ccc1C[NH2+]C[C@H]1CCCO1 ZINC000086706218 179322162 /nfs/dbraw/zinc/32/21/62/179322162.db2.gz QIGWQXVZSKBDHT-LLVKDONJSA-N 1 0 285.185 2.300 10 0 CEAERO Fc1cc(Br)cc(CO[C@@H]2CC[NH2+]C2)c1 ZINC000086694872 179320451 /nfs/dbraw/zinc/32/04/51/179320451.db2.gz CFHDIAKSFZAYTC-LLVKDONJSA-N 1 0 274.133 2.467 10 0 CEAERO C[C@H]1CC[C@@H](C[NH3+])CN1Cc1cnc(Cl)s1 ZINC000086777920 179329628 /nfs/dbraw/zinc/32/96/28/179329628.db2.gz CZCCDQISYWUZSP-IUCAKERBSA-N 1 0 259.806 2.356 10 0 CEAERO CCN(C)C(=O)COC1(C[NH3+])CCC(C(C)C)CC1 ZINC000086713480 179322787 /nfs/dbraw/zinc/32/27/87/179322787.db2.gz DEJQNFPXWAJJQE-UHFFFAOYSA-N 1 0 270.417 2.025 10 0 CEAERO CCCC1CCC(C[NH3+])(OCC(=O)N2CCCC2)CC1 ZINC000086713374 179322947 /nfs/dbraw/zinc/32/29/47/179322947.db2.gz OCRFUKLMHZASOX-UHFFFAOYSA-N 1 0 282.428 2.313 10 0 CEAERO CC(C)[C@H](C)NC(=O)CO[C@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000086712292 179322957 /nfs/dbraw/zinc/32/29/57/179322957.db2.gz VRGYUXXAHXLWRP-VNHYZAJKSA-N 1 0 270.417 2.071 10 0 CEAERO CNC(=O)CCCOC1(C[NH3+])CCC(C(C)(C)C)CC1 ZINC000086713697 179322967 /nfs/dbraw/zinc/32/29/67/179322967.db2.gz JWQLUDZZAPEANC-UHFFFAOYSA-N 1 0 284.444 2.463 10 0 CEAERO CNC(=O)CCOC1(C[NH3+])CCC(C(C)(C)C)CC1 ZINC000086713661 179322992 /nfs/dbraw/zinc/32/29/92/179322992.db2.gz NFIMENSYKLQVKA-UHFFFAOYSA-N 1 0 270.417 2.073 10 0 CEAERO COc1ccc(N[C@H]2CCC[N@H+](C)CC2)cc1O ZINC000086818459 179347543 /nfs/dbraw/zinc/34/75/43/179347543.db2.gz LLROTWGBRULUAC-NSHDSACASA-N 1 0 250.342 2.297 10 0 CEAERO COC(=O)[C@]1(Nc2ccccc2)CCC[N@H+](C)CC1 ZINC000086819808 179347876 /nfs/dbraw/zinc/34/78/76/179347876.db2.gz NJDHHEPVQWGKTN-HNNXBMFYSA-N 1 0 262.353 2.126 10 0 CEAERO CC[C@@](C)([NH3+])C(=O)NCc1cc(Br)cs1 ZINC000086807273 179339989 /nfs/dbraw/zinc/33/99/89/179339989.db2.gz UUIUZGIWTDLCNW-SNVBAGLBSA-N 1 0 291.214 2.254 10 0 CEAERO COc1nccc(N(C)C)c1N[C@H]1CCC[N@H+](C)CC1 ZINC000086817643 179345855 /nfs/dbraw/zinc/34/58/55/179345855.db2.gz XAKMJICOBOIYAE-LBPRGKRZSA-N 1 0 278.400 2.052 10 0 CEAERO COCCOc1ccc(N[C@@H]2CCC[N@H+](C)CC2)cn1 ZINC000086817828 179346010 /nfs/dbraw/zinc/34/60/10/179346010.db2.gz AUQJNQRZHXVZEE-CYBMUJFWSA-N 1 0 279.384 2.003 10 0 CEAERO CCNC(=O)c1ccc(N[C@@H]2CCC[N@H+](C)CC2)cc1 ZINC000086818243 179346405 /nfs/dbraw/zinc/34/64/05/179346405.db2.gz XVIVKPKIMWFCDU-CQSZACIVSA-N 1 0 275.396 2.333 10 0 CEAERO CN(C)C(=O)c1ccccc1N[C@@H]1CCC[N@H+](C)CC1 ZINC000086818394 179346658 /nfs/dbraw/zinc/34/66/58/179346658.db2.gz YMSOKYDGPBJMNO-CYBMUJFWSA-N 1 0 275.396 2.285 10 0 CEAERO CCC1(C(=O)[O-])CC[NH+]([C@H]2CCC[N@H+](C)CC2)CC1 ZINC000086834602 179350162 /nfs/dbraw/zinc/35/01/62/179350162.db2.gz DXTGNAOBFKJCKY-ZDUSSCGKSA-N 1 0 268.401 2.048 10 0 CEAERO CC[N@@H+]1CCC[C@H](Nc2c(N(C)C)ccnc2OC)CC1 ZINC000086837884 179351164 /nfs/dbraw/zinc/35/11/64/179351164.db2.gz FHBBPBVZNJYHPF-ZDUSSCGKSA-N 1 0 292.427 2.443 10 0 CEAERO CCC[N@@H+]1CCC[C@@H](NCc2c[nH]nc2C)CC1 ZINC000086841968 179353209 /nfs/dbraw/zinc/35/32/09/179353209.db2.gz RGTYJTMMBSNQFB-CQSZACIVSA-N 1 0 250.390 2.072 10 0 CEAERO CC[N@@H+]1CCC[C@H](N[C@@H](CO)c2ccccc2)CC1 ZINC000086844733 179355593 /nfs/dbraw/zinc/35/55/93/179355593.db2.gz QLCTXYZLYIQQMW-HOTGVXAUSA-N 1 0 262.397 2.184 10 0 CEAERO CCC[N@@H+]1CCC[C@](CC(=O)[O-])([NH+]2CCCC2)CC1 ZINC000086868479 179360159 /nfs/dbraw/zinc/36/01/59/179360159.db2.gz KRHYFUIBPXZRBK-HNNXBMFYSA-N 1 0 268.401 2.192 10 0 CEAERO CCC[C@](C)([NH2+][C@@H]1CCC[N@H+](CC)CC1)C(=O)[O-] ZINC000086868637 179361697 /nfs/dbraw/zinc/36/16/97/179361697.db2.gz JSZHDUFNWNITQX-OCCSQVGLSA-N 1 0 256.390 2.094 10 0 CEAERO CCC[C@@]1(C(=O)[O-])CC[N@@H+]([C@@H]2CCC[NH+](CC)CC2)C1 ZINC000086869121 179361932 /nfs/dbraw/zinc/36/19/32/179361932.db2.gz GKZZOWKKPJAEOE-GDBMZVCRSA-N 1 0 282.428 2.438 10 0 CEAERO CC(C)[N@@H+]1CCC[C@@H]([NH+]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000086868596 179362344 /nfs/dbraw/zinc/36/23/44/179362344.db2.gz TWBVLBCRPXHIKT-UONOGXRCSA-N 1 0 268.401 2.046 10 0 CEAERO CCC[N@@H+]1CCC[C@@H]([NH+](C)C(C)(C)C(=O)[O-])CC1 ZINC000086868957 179362401 /nfs/dbraw/zinc/36/24/01/179362401.db2.gz YZVYSONIHSXXSS-GFCCVEGCSA-N 1 0 256.390 2.046 10 0 CEAERO CCCOCc1noc([C@H](C(C)C)[C@@H](C)[NH2+]C)n1 ZINC000104066048 185891243 /nfs/dbraw/zinc/89/12/43/185891243.db2.gz NKTMTPNPYXXQKW-ZYHUDNBSSA-N 1 0 255.362 2.344 10 0 CEAERO C[NH2+][C@@H](C)[C@@H](c1nc(-c2cccnc2)no1)C(C)C ZINC000104068542 185891659 /nfs/dbraw/zinc/89/16/59/185891659.db2.gz BRHOOBYGMXQUAE-JQWIXIFHSA-N 1 0 260.341 2.479 10 0 CEAERO CC(C)(C)[C@@H](Cn1ccnc1)[NH2+][C@H]1CCCOCC1 ZINC000086873185 179364771 /nfs/dbraw/zinc/36/47/71/179364771.db2.gz GWKQMBSXNXORIN-UONOGXRCSA-N 1 0 265.401 2.457 10 0 CEAERO CCC[N@@H+]1CCC[C@]([NH2+]Cc2ccccc2)(C(=O)[O-])CC1 ZINC000086849878 179358081 /nfs/dbraw/zinc/35/80/81/179358081.db2.gz JPFQAEYJVWBONS-QGZVFWFLSA-N 1 0 290.407 2.496 10 0 CEAERO CCS(=O)(=O)CCC[C@H](Cc1ccc(OC)cc1)[NH2+]C ZINC000086979029 179372622 /nfs/dbraw/zinc/37/26/22/179372622.db2.gz UVTSBVNKLLTXQM-CQSZACIVSA-N 1 0 299.436 2.041 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH2+]C)c1cccc(F)c1 ZINC000086978495 179372664 /nfs/dbraw/zinc/37/26/64/179372664.db2.gz RDLQXPADUDCPBD-CYBMUJFWSA-N 1 0 273.373 2.301 10 0 CEAERO CCS(=O)(=O)CCC[C@H](C[NH3+])Cc1ccccc1F ZINC000086980712 179373275 /nfs/dbraw/zinc/37/32/75/179373275.db2.gz GMIPQNLSEHWLIT-LBPRGKRZSA-N 1 0 287.400 2.158 10 0 CEAERO CCCn1cc([C@@H]([NH3+])[C@H]2CSCCS2)cn1 ZINC000086984266 179374010 /nfs/dbraw/zinc/37/40/10/179374010.db2.gz IPEPAJLBOKNQQJ-GHMZBOCLSA-N 1 0 257.428 2.142 10 0 CEAERO CCC[C@H]1CCC[C@H]([NH2+]CCCS(N)(=O)=O)CC1 ZINC000086945855 179367934 /nfs/dbraw/zinc/36/79/34/179367934.db2.gz BTAAKVXXNDSLLS-STQMWFEESA-N 1 0 276.446 2.004 10 0 CEAERO CC(C)[C@H]1CCC[C@H]([NH2+]CCS(C)(=O)=O)CC1 ZINC000086943838 179368029 /nfs/dbraw/zinc/36/80/29/179368029.db2.gz UZRARYXEQCJTJJ-STQMWFEESA-N 1 0 261.431 2.226 10 0 CEAERO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCNC2=O)CC1 ZINC000086946048 179368139 /nfs/dbraw/zinc/36/81/39/179368139.db2.gz GZWWFNUPDJWUIE-HZSPNIEDSA-N 1 0 252.402 2.460 10 0 CEAERO C[NH2+][C@@H]1CCCC[C@@H]1c1nc(C[C@@H]2CCCO2)no1 ZINC000104070157 185892506 /nfs/dbraw/zinc/89/25/06/185892506.db2.gz ZOPDLMYUDFPJFB-SDDRHHMPSA-N 1 0 265.357 2.037 10 0 CEAERO CC[NH2+][C@@H](C)[C@H](CC)c1nc(CCCOC)no1 ZINC000086971919 179370490 /nfs/dbraw/zinc/37/04/90/179370490.db2.gz SDHZKNLOGUZKOS-QWRGUYRKSA-N 1 0 255.362 2.140 10 0 CEAERO C[NH2+][C@@H](CCCOC)c1ccc(OC)cc1OC ZINC000086969914 179370587 /nfs/dbraw/zinc/37/05/87/179370587.db2.gz ATSIVHICOUHGFA-ZDUSSCGKSA-N 1 0 253.342 2.391 10 0 CEAERO C[NH2+][C@H](CC1CCOCC1)[C@@H]1CSCCS1 ZINC000086984892 179373926 /nfs/dbraw/zinc/37/39/26/179373926.db2.gz XEHKSQDRBQNQQS-NEPJUHHUSA-N 1 0 261.456 2.240 10 0 CEAERO CC[C@](C)(O)C[NH2+]C[C@H](O)c1ccccc1Cl ZINC000087028116 179381727 /nfs/dbraw/zinc/38/17/27/179381727.db2.gz KCGAAMMIUPMAHN-STQMWFEESA-N 1 0 257.761 2.124 10 0 CEAERO CC[NH2+][C@@H](CCC(F)(F)F)[C@H]1CSCCO1 ZINC000086989223 179374892 /nfs/dbraw/zinc/37/48/92/179374892.db2.gz GCUIZJKUVCUXBK-DTWKUNHWSA-N 1 0 257.321 2.439 10 0 CEAERO CCN1CC[C@@H](C[NH3+])[C@@H]1c1ccc(OC)c(F)c1 ZINC000086994895 179375847 /nfs/dbraw/zinc/37/58/47/179375847.db2.gz LMZNHDJRNZBURM-FZMZJTMJSA-N 1 0 252.333 2.176 10 0 CEAERO COc1ccc([C@@H]2[C@H]([NH3+])CC(=O)N2C(C)(C)C)cc1F ZINC000086995268 179375977 /nfs/dbraw/zinc/37/59/77/179375977.db2.gz KEXVHBIRTFJPMA-BXUZGUMPSA-N 1 0 280.343 2.234 10 0 CEAERO CCOC(=O)C[C@H](c1ccc(OC)c(F)c1)[NH+](C)C ZINC000086995668 179376758 /nfs/dbraw/zinc/37/67/58/179376758.db2.gz ZSJZIZMUALQLGY-GFCCVEGCSA-N 1 0 269.316 2.390 10 0 CEAERO [NH3+][C@H]1CCCCC[C@H]1NC(=O)c1c(F)cc(F)cc1F ZINC000086997966 179377329 /nfs/dbraw/zinc/37/73/29/179377329.db2.gz FPQAZTIJSQCLJZ-NWDGAFQWSA-N 1 0 286.297 2.494 10 0 CEAERO C[C@H]1CCCN(C(=O)c2c(F)cc(F)cc2F)[C@@H]1C[NH3+] ZINC000086998039 179377954 /nfs/dbraw/zinc/37/79/54/179377954.db2.gz VURFBUBVNZLBCZ-QPUJVOFHSA-N 1 0 286.297 2.303 10 0 CEAERO CC[C@@](C)(O)C[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000087027799 179381980 /nfs/dbraw/zinc/38/19/80/179381980.db2.gz WEVHGMMCKWAWHW-CHWSQXEVSA-N 1 0 291.313 2.489 10 0 CEAERO C[C@@H]1C[C@H]([NH3+])CN(c2nc(Br)cs2)C1 ZINC000087043150 179387547 /nfs/dbraw/zinc/38/75/47/179387547.db2.gz SBISYWWGGKMEJM-RQJHMYQMSA-N 1 0 276.203 2.079 10 0 CEAERO C[C@@H]1CCC[C@](O)(C[NH2+][C@@H]2CCCc3c2cnn3C)C1 ZINC000087049703 179388636 /nfs/dbraw/zinc/38/86/36/179388636.db2.gz XCGNELNTJAWEFC-XNRPHZJLSA-N 1 0 277.412 2.328 10 0 CEAERO O[C@@H](C[NH2+]CC1(O)CCCCC1)c1cccs1 ZINC000087029080 179382335 /nfs/dbraw/zinc/38/23/35/179382335.db2.gz NWOKWTIGYNZFHN-NSHDSACASA-N 1 0 255.383 2.066 10 0 CEAERO CCC[C@@]1(c2nc(CSCC)no2)CC[NH2+]C1 ZINC000087105218 179394693 /nfs/dbraw/zinc/39/46/93/179394693.db2.gz OVYLQPVYCKPEIA-GFCCVEGCSA-N 1 0 255.387 2.354 10 0 CEAERO C[C@H]1CCC[C@@](O)(C[NH2+]CC2(O)CCCCC2)C1 ZINC000087065433 179390083 /nfs/dbraw/zinc/39/00/83/179390083.db2.gz XWFKXZZIPFIHKL-ZFWWWQNUSA-N 1 0 255.402 2.212 10 0 CEAERO CCC1CCC(O)(C[NH2+]C[C@@H]2CCCCO2)CC1 ZINC000087066049 179390296 /nfs/dbraw/zinc/39/02/96/179390296.db2.gz NYKRSUGPYZQEIM-SLTAFYQDSA-N 1 0 255.402 2.476 10 0 CEAERO CCC1CCC(O)(C[NH2+]Cc2cnn(CC)c2)CC1 ZINC000087066279 179390597 /nfs/dbraw/zinc/39/05/97/179390597.db2.gz SFWXTCIYMZSUKQ-UHFFFAOYSA-N 1 0 265.401 2.324 10 0 CEAERO CC[C@@H](CC[NH3+])CCC(=O)NCC1(O)CCC(C)CC1 ZINC000087068511 179390884 /nfs/dbraw/zinc/39/08/84/179390884.db2.gz AZDJZGNQYLDVJU-NPCAHTBFSA-N 1 0 284.444 2.199 10 0 CEAERO CC[C@@]1(C(=O)NCC2(O)CCC(C)(C)CC2)CCC[NH2+]C1 ZINC000087068776 179391333 /nfs/dbraw/zinc/39/13/33/179391333.db2.gz QJSGLEREHXEKAY-MRXNPFEDSA-N 1 0 296.455 2.214 10 0 CEAERO COCCC[NH2+]CCOCc1cccc(Cl)c1 ZINC000087096459 179394083 /nfs/dbraw/zinc/39/40/83/179394083.db2.gz CCXUFLCTNDIPNA-UHFFFAOYSA-N 1 0 257.761 2.483 10 0 CEAERO CC[C@H](C)SC[C@H](Cc1cccnc1N)[NH2+]C ZINC000087135411 179396777 /nfs/dbraw/zinc/39/67/77/179396777.db2.gz DQQVIZRPVBQZMX-JQWIXIFHSA-N 1 0 253.415 2.326 10 0 CEAERO CC[C@@H](C)SC[C@@H](Cc1cnccc1N)[NH2+]C ZINC000087135881 179397027 /nfs/dbraw/zinc/39/70/27/179397027.db2.gz SNGNJQYZMHSWKZ-ZYHUDNBSSA-N 1 0 253.415 2.326 10 0 CEAERO CC[C@H](C)SCc1ncc(C[NH2+]CCOC)[nH]1 ZINC000087140366 179397383 /nfs/dbraw/zinc/39/73/83/179397383.db2.gz MRWDUOVHBGCYJT-JTQLQIEISA-N 1 0 257.403 2.177 10 0 CEAERO CC[NH+]1CCC(O)(Cc2cccc(F)c2F)CC1 ZINC000087165790 179398463 /nfs/dbraw/zinc/39/84/63/179398463.db2.gz FVHCULSEDOWWPV-UHFFFAOYSA-N 1 0 255.308 2.354 10 0 CEAERO COc1c(C)c[nH+]c(C[C@@H](O)CCSC)c1C ZINC000087181614 179399276 /nfs/dbraw/zinc/39/92/76/179399276.db2.gz YLBJUPQQYYPFRT-NSHDSACASA-N 1 0 255.383 2.364 10 0 CEAERO O[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCC[NH2+]C1 ZINC000087172529 179399399 /nfs/dbraw/zinc/39/93/99/179399399.db2.gz GTMMQXXHVFPGIS-GFCCVEGCSA-N 1 0 259.271 2.362 10 0 CEAERO CCCN(C(=O)CC[C@@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000087236658 179403610 /nfs/dbraw/zinc/40/36/10/179403610.db2.gz UNLGWFIRZPGXAL-QXULXFAOSA-N 1 0 294.439 2.467 10 0 CEAERO CC[NH2+][C@H](C)Cc1nc(CSCC(C)C)no1 ZINC000087121374 179395946 /nfs/dbraw/zinc/39/59/46/179395946.db2.gz AGIMMBOAHJITLK-SNVBAGLBSA-N 1 0 257.403 2.499 10 0 CEAERO CCOCCCOc1ccc(CC[NH3+])cc1OC ZINC000087326047 179413397 /nfs/dbraw/zinc/41/33/97/179413397.db2.gz NOVSIIHJSAPAES-UHFFFAOYSA-N 1 0 253.342 2.002 10 0 CEAERO [NH3+]C[C@H](c1cccs1)[C@@H](O)CCc1ccco1 ZINC000087374723 179417188 /nfs/dbraw/zinc/41/71/88/179417188.db2.gz UOTYFPDDTMCESS-RYUDHWBXSA-N 1 0 251.351 2.377 10 0 CEAERO [NH3+]C[C@H](c1ccc2c(c1)OCCO2)[C@@H](O)CC1CCCC1 ZINC000087382008 179417713 /nfs/dbraw/zinc/41/77/13/179417713.db2.gz IBQYNIYOUIWSNK-CABCVRRESA-N 1 0 291.391 2.441 10 0 CEAERO CCC[C@H](C[NH3+])NC(=O)c1cc(Cl)ccc1OC ZINC000087387861 179419111 /nfs/dbraw/zinc/41/91/11/179419111.db2.gz IDWCIVIBBTXJDP-SNVBAGLBSA-N 1 0 270.760 2.206 10 0 CEAERO CC(C)[C@H](C[NH3+])NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000087403732 179419977 /nfs/dbraw/zinc/41/99/77/179419977.db2.gz OQXILJOWQROKHI-LJLILKBBSA-N 1 0 266.772 2.453 10 0 CEAERO CCC[C@H](C[NH3+])NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000087404426 179420036 /nfs/dbraw/zinc/42/00/36/179420036.db2.gz OPBYHDBJUIIQJW-CYBMUJFWSA-N 1 0 298.452 2.390 10 0 CEAERO CCOC(=O)CC[NH2+][C@@H]1C[C@H](OCC)[C@]1(C)CC ZINC000087300259 179410054 /nfs/dbraw/zinc/41/00/54/179410054.db2.gz FINYRHMVOWNEPW-MBNYWOFBSA-N 1 0 257.374 2.123 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]CCc2nncn2C)C12CCCCC2 ZINC000087301074 179410348 /nfs/dbraw/zinc/41/03/48/179410348.db2.gz FNKYKQVWSCFJSE-UONOGXRCSA-N 1 0 292.427 2.075 10 0 CEAERO Cc1oc(C)c(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1C ZINC000087200496 539628025 /nfs/dbraw/zinc/62/80/25/539628025.db2.gz WGOXQEISULEHAL-FUNVUKJBSA-N 1 0 262.353 2.218 10 0 CEAERO Cc1nc(-c2cnn(C)c2)nc(C)c1CC[NH2+]CC(C)C ZINC000087426356 179424541 /nfs/dbraw/zinc/42/45/41/179424541.db2.gz HAOVGCYGUJVRQF-UHFFFAOYSA-N 1 0 287.411 2.282 10 0 CEAERO Cc1nc(-c2nnc(CC[NH2+]C(C)(C)C)o2)cs1 ZINC000087429654 179425365 /nfs/dbraw/zinc/42/53/65/179425365.db2.gz HQGAXRGQBZAVJY-UHFFFAOYSA-N 1 0 266.370 2.432 10 0 CEAERO C[C@@H]([NH2+][C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C)[C@H]1CCCO1 ZINC000248632875 539638646 /nfs/dbraw/zinc/63/86/46/539638646.db2.gz WXXDMGAQJIQCAE-QKGCVVFFSA-N 1 0 282.428 2.322 10 0 CEAERO CCc1nn(C)cc1CN1C[C@@H]2CCC[N@H+]2C[C@H]1CC ZINC000248417494 539634388 /nfs/dbraw/zinc/63/43/88/539634388.db2.gz RHGHWPQDJCQBBH-CABCVRRESA-N 1 0 276.428 2.041 10 0 CEAERO CC(=O)c1csc(NC(=O)C(C)(C)C(C)(C)[NH3+])n1 ZINC000087630139 179459343 /nfs/dbraw/zinc/45/93/43/179459343.db2.gz TZGFUCVXBZFJBP-UHFFFAOYSA-N 1 0 269.370 2.048 10 0 CEAERO Cc1cc(NC(=O)[C@H](C)CC[NH3+])ncc1Br ZINC000087637029 179460514 /nfs/dbraw/zinc/46/05/14/179460514.db2.gz JSFKRTUBEWOCAA-SSDOTTSWSA-N 1 0 286.173 2.076 10 0 CEAERO CC[NH2+]C[C@@H]1CCCN1c1nc(C(C)(C)C)ns1 ZINC000087643752 179462983 /nfs/dbraw/zinc/46/29/83/179462983.db2.gz JEOQSAVCCOJLQB-JTQLQIEISA-N 1 0 268.430 2.414 10 0 CEAERO CCc1nsc(N(CC[NH3+])C2CCCCC2)n1 ZINC000087644382 179463666 /nfs/dbraw/zinc/46/36/66/179463666.db2.gz FSPUHNRZPXHEJM-UHFFFAOYSA-N 1 0 254.403 2.198 10 0 CEAERO C[C@@H]([NH3+])CCC[C@@H](C)C(=O)Nc1ccc(O)cc1 ZINC000087694146 179471153 /nfs/dbraw/zinc/47/11/53/179471153.db2.gz DTGDMZXMZZGDPY-GHMZBOCLSA-N 1 0 250.342 2.484 10 0 CEAERO CCOc1ccc([C@H]([NH3+])CC(C)(C)C(N)=O)cc1OCC ZINC000087721383 179477450 /nfs/dbraw/zinc/47/74/50/179477450.db2.gz RVEWCPNERXUWCR-GFCCVEGCSA-N 1 0 294.395 2.385 10 0 CEAERO CC[NH2+]CCOCCc1ccc2c(c1)OCCCO2 ZINC000087730518 179478988 /nfs/dbraw/zinc/47/89/88/179478988.db2.gz SUIZFXLJHKCGDZ-UHFFFAOYSA-N 1 0 265.353 2.017 10 0 CEAERO [NH3+]C1(Cc2nc([C@H]3CCCO3)no2)CCCCC1 ZINC000087800724 179487358 /nfs/dbraw/zinc/48/73/58/179487358.db2.gz QHPDRISARMSNNN-SNVBAGLBSA-N 1 0 251.330 2.125 10 0 CEAERO CCOCCC[NH2+]C[C@H](C)Sc1ncns1 ZINC000087518088 179439112 /nfs/dbraw/zinc/43/91/12/179439112.db2.gz VCAMWACCCOGKGE-VIFPVBQESA-N 1 0 261.416 2.035 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)Nc1cc(C(=O)NC)ccc1Cl ZINC000087519676 179439366 /nfs/dbraw/zinc/43/93/66/179439366.db2.gz WWMXMYHCHXJRLG-JTQLQIEISA-N 1 0 297.786 2.013 10 0 CEAERO CC[C@H](C[NH3+])C(=O)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000087524650 179440670 /nfs/dbraw/zinc/44/06/70/179440670.db2.gz MTCOSGBFKKBEBP-CHWSQXEVSA-N 1 0 296.436 2.241 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N(C)CCOc1ccc(F)cc1 ZINC000087524817 179440750 /nfs/dbraw/zinc/44/07/50/179440750.db2.gz UOWZTTSIGNJCMF-GFCCVEGCSA-N 1 0 282.359 2.038 10 0 CEAERO CC[NH2+][C@@](C)(CC(N)=O)c1ccc(OC(F)(F)F)cc1 ZINC000087549448 179444214 /nfs/dbraw/zinc/44/42/14/179444214.db2.gz UYZSLFYSJWTMRT-LBPRGKRZSA-N 1 0 290.285 2.285 10 0 CEAERO C[NH2+]C1(CC(=O)N2CCSC[C@H]2C)CCCCC1 ZINC000087577952 179449167 /nfs/dbraw/zinc/44/91/67/179449167.db2.gz SORZQZRBOFNFNQ-GFCCVEGCSA-N 1 0 270.442 2.263 10 0 CEAERO CCc1nc(NC[C@@]2(C)CCCS2)cc(NN)[nH+]1 ZINC000087907204 179517357 /nfs/dbraw/zinc/51/73/57/179517357.db2.gz NKFHCCZSLYSSSB-GFCCVEGCSA-N 1 0 267.402 2.022 10 0 CEAERO CCOC(=O)c1ccc([C@H]2CCCN(CC[NH3+])CC2)cc1 ZINC000616628630 348540085 /nfs/dbraw/zinc/54/00/85/348540085.db2.gz OJIINRQVRWWKQA-AWEZNQCLSA-N 1 0 290.407 2.392 10 0 CEAERO c1ncc([C@@H]2COCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000616659919 348551976 /nfs/dbraw/zinc/55/19/76/348551976.db2.gz KESITHRCVZGOJP-AWEZNQCLSA-N 1 0 258.321 2.291 10 0 CEAERO CCOC(=O)c1ccccc1[C@H]1C[NH2+]CCN1C(C)C ZINC000616636673 348542892 /nfs/dbraw/zinc/54/28/92/348542892.db2.gz AJRNJFHYNQTMSA-OAHLLOKOSA-N 1 0 276.380 2.218 10 0 CEAERO CC(C)c1nc(O[C@H](C)C(F)(F)F)cc(NN)[nH+]1 ZINC000087917069 179522890 /nfs/dbraw/zinc/52/28/90/179522890.db2.gz JBQMTQFSDCYEHS-ZCFIWIBFSA-N 1 0 264.251 2.215 10 0 CEAERO CC(C)[N@@H+]1CCOC[C@H](c2cccc(CCO)c2)C1 ZINC000616660595 348552194 /nfs/dbraw/zinc/55/21/94/348552194.db2.gz OCBAVWHIWGTXII-MRXNPFEDSA-N 1 0 263.381 2.046 10 0 CEAERO Cc1c(NN)[nH+]c(C(C)C)nc1N(C)CC(C)C ZINC000087918434 179523408 /nfs/dbraw/zinc/52/34/08/179523408.db2.gz QGEOBHXIFVJGEW-UHFFFAOYSA-N 1 0 251.378 2.286 10 0 CEAERO Cc1cc([C@@H](C[NH3+])NCC(F)(F)F)ccc1F ZINC000087929449 179525057 /nfs/dbraw/zinc/52/50/57/179525057.db2.gz JXQNYHDNVLQMRZ-SNVBAGLBSA-N 1 0 250.239 2.286 10 0 CEAERO [NH3+]C[C@@]1(Cc2ccn(C3CCCCC3)n2)CCC[C@@H]1O ZINC000087931944 179526435 /nfs/dbraw/zinc/52/64/35/179526435.db2.gz OQPNPGLBXGDXFX-HOTGVXAUSA-N 1 0 277.412 2.421 10 0 CEAERO CCS(=O)(=O)CCC1(C[NH3+])CCC(C)(C)CC1 ZINC000087940289 179528307 /nfs/dbraw/zinc/52/83/07/179528307.db2.gz NTTKRJYFYSSPQI-UHFFFAOYSA-N 1 0 261.431 2.357 10 0 CEAERO CCCC1CCC(C[NH3+])([C@H]2CCS(=O)(=O)C2)CC1 ZINC000087960519 179528744 /nfs/dbraw/zinc/52/87/44/179528744.db2.gz GXEJCRLMUWHVEI-MOKVOYLWSA-N 1 0 273.442 2.357 10 0 CEAERO CCC[NH2+][C@H](c1c(C)ccnc1N)[C@@H]1CCCOC1 ZINC000087814916 179490977 /nfs/dbraw/zinc/49/09/77/179490977.db2.gz OZGZUBURYOJEMN-OCCSQVGLSA-N 1 0 263.385 2.440 10 0 CEAERO Cc1nnc(S[C@H](c2cccc(F)c2)[C@H](C)[NH3+])n1C ZINC000104184536 185918264 /nfs/dbraw/zinc/91/82/64/185918264.db2.gz NILFYHBSPQPUBC-UFBFGSQYSA-N 1 0 280.372 2.443 10 0 CEAERO COc1ccc(CSC2CCOCC2)cc1C(N)=[NH2+] ZINC000087828883 179496010 /nfs/dbraw/zinc/49/60/10/179496010.db2.gz KKVXNCOVMDZEKE-UHFFFAOYSA-N 1 0 280.393 2.391 10 0 CEAERO CC(C)(C)[N@@H+]1CCOC[C@H](c2cccc(CO)c2)C1 ZINC000616658030 348550432 /nfs/dbraw/zinc/55/04/32/348550432.db2.gz APMFRRKSYDREEX-OAHLLOKOSA-N 1 0 263.381 2.393 10 0 CEAERO [NH3+][C@H]1CN(C(=O)CC2CC2)CC[C@H]1c1ccccc1 ZINC000616571637 348524100 /nfs/dbraw/zinc/52/41/00/348524100.db2.gz QEYOJWIENBIATN-GJZGRUSLSA-N 1 0 258.365 2.130 10 0 CEAERO CCCC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000616572505 348524120 /nfs/dbraw/zinc/52/41/20/348524120.db2.gz WKBAECHZGFGDHK-KGLIPLIRSA-N 1 0 264.344 2.188 10 0 CEAERO CC[C@@H]1CC[NH2+]C[C@@H]1NC(=O)/C=C/c1ccccc1 ZINC000616572530 348524204 /nfs/dbraw/zinc/52/42/04/348524204.db2.gz WOOZNRTWWFSRDT-PQAPVRDISA-N 1 0 258.365 2.204 10 0 CEAERO CC[C@@H]1CC[NH2+]C[C@@H]1NC(=O)/C=C\c1ccccc1 ZINC000616572526 348524269 /nfs/dbraw/zinc/52/42/69/348524269.db2.gz WOOZNRTWWFSRDT-AYPKIECRSA-N 1 0 258.365 2.204 10 0 CEAERO CC[N@@H+]1CCO[C@@H](c2cccc3ccnnc32)CC1 ZINC000616592579 348527698 /nfs/dbraw/zinc/52/76/98/348527698.db2.gz CKKYMJJZUCBIMF-CQSZACIVSA-N 1 0 257.337 2.413 10 0 CEAERO [NH3+]CCN1CCO[C@H](c2cccc(Cl)c2)CC1 ZINC000616592175 348527734 /nfs/dbraw/zinc/52/77/34/348527734.db2.gz BVYHJNPBZAJBNE-ZDUSSCGKSA-N 1 0 254.761 2.062 10 0 CEAERO CC[N@@H+]1CCO[C@H](c2ccc(NC(C)=O)cc2)CC1 ZINC000616595924 348528155 /nfs/dbraw/zinc/52/81/55/348528155.db2.gz ZTLUSDHADRLIQI-HNNXBMFYSA-N 1 0 262.353 2.428 10 0 CEAERO CC(=O)Nc1ccccc1[C@@H]1CCC[N@H+](CCO)CC1 ZINC000616601430 348531132 /nfs/dbraw/zinc/53/11/32/348531132.db2.gz PAGLKNCSBBEJQK-CQSZACIVSA-N 1 0 276.380 2.207 10 0 CEAERO CCCOc1ccc(C[NH2+]CCOC)c(OCOC)c1 ZINC000087888184 179512217 /nfs/dbraw/zinc/51/22/17/179512217.db2.gz ICWMJLRAZYGWKG-UHFFFAOYSA-N 1 0 283.368 2.194 10 0 CEAERO CCOCOc1c(OC)cc(C[C@H]([NH3+])CC)cc1OC ZINC000087888922 179513314 /nfs/dbraw/zinc/51/33/14/179513314.db2.gz IWBFNHZISLTDJS-GFCCVEGCSA-N 1 0 283.368 2.356 10 0 CEAERO [NH3+]CCN1CCCC[C@@H]1c1ccc2ccnnc2c1 ZINC000616614258 348534820 /nfs/dbraw/zinc/53/48/20/348534820.db2.gz BIMHPMYVPJQGQT-OAHLLOKOSA-N 1 0 256.353 2.116 10 0 CEAERO [NH3+]CCN1CCCC[C@@H]1c1cc2ccccc2nn1 ZINC000616615262 348534889 /nfs/dbraw/zinc/53/48/89/348534889.db2.gz UCMQNAPCWPBMFY-OAHLLOKOSA-N 1 0 256.353 2.116 10 0 CEAERO OCC[N@@H+]1CCCC[C@H]1c1ccc2ccnnc2c1 ZINC000616616874 348535744 /nfs/dbraw/zinc/53/57/44/348535744.db2.gz ZRHOPGOCFLMSIL-HNNXBMFYSA-N 1 0 257.337 2.149 10 0 CEAERO [NH3+]CCN1CCC[C@@H](c2cnc3ccccc3c2)C1 ZINC000616621052 348537101 /nfs/dbraw/zinc/53/71/01/348537101.db2.gz OLLHGIDTDRWERQ-CQSZACIVSA-N 1 0 255.365 2.373 10 0 CEAERO Cc1c[nH+]c(NN)nc1Nc1cc(F)cc(F)c1 ZINC000087896978 179515900 /nfs/dbraw/zinc/51/59/00/179515900.db2.gz PEBUNAUCPLTAPK-UHFFFAOYSA-N 1 0 251.240 2.092 10 0 CEAERO Nc1ncccc1[C@@H]([NH3+])[C@H]1CCOc2ccccc21 ZINC000088019691 179536398 /nfs/dbraw/zinc/53/63/98/179536398.db2.gz UMFBDPWAHAWWON-FZMZJTMJSA-N 1 0 255.321 2.230 10 0 CEAERO C[C@@H](C[NH3+])[S@](=O)Cc1cccc(Br)c1 ZINC000088068013 179544125 /nfs/dbraw/zinc/54/41/25/179544125.db2.gz YPWQUWPVVPLEBZ-RTHLEPHNSA-N 1 0 276.199 2.045 10 0 CEAERO COc1cccc(F)c1C(=O)N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000088081065 179544970 /nfs/dbraw/zinc/54/49/70/179544970.db2.gz ICZBJDUWQZTOHA-QWHCGFSZSA-N 1 0 292.354 2.191 10 0 CEAERO COc1cccc(F)c1C(=O)NC[C@@H]1CCC[C@H](C)[NH2+]1 ZINC000088080033 179545360 /nfs/dbraw/zinc/54/53/60/179545360.db2.gz LHZCBUHMSKGEKK-QWRGUYRKSA-N 1 0 280.343 2.095 10 0 CEAERO C[C@@H](CC[NH3+])[S@@](=O)Cc1ccc(F)cc1Cl ZINC000088087164 179546459 /nfs/dbraw/zinc/54/64/59/179546459.db2.gz CHHCDIREHLMAMF-ZKANADHPSA-N 1 0 263.765 2.465 10 0 CEAERO CC(C)C[C@@H](C[NH3+])Cc1nnc2n1CCCCC2 ZINC000088275294 179573698 /nfs/dbraw/zinc/57/36/98/179573698.db2.gz IRNAOURSKZJQMX-GFCCVEGCSA-N 1 0 250.390 2.168 10 0 CEAERO C[NH2+][C@H](C)c1cnn(CCc2ccc3c(c2)CCO3)c1 ZINC000088106306 179549755 /nfs/dbraw/zinc/54/97/55/179549755.db2.gz PRCYXOXTJGRZHZ-GFCCVEGCSA-N 1 0 271.364 2.341 10 0 CEAERO O=C(Nc1c2nsnc2ccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000088126286 179552983 /nfs/dbraw/zinc/55/29/83/179552983.db2.gz XXYYNFNNZJLKKG-SSDOTTSWSA-N 1 0 296.783 2.283 10 0 CEAERO C[NH2+][C@H]1CCCc2c(O[C@@H]3CCCCNC3=O)cccc21 ZINC000088151588 179557971 /nfs/dbraw/zinc/55/79/71/179557971.db2.gz YLOXFQSVRUZEEU-GOEBONIOSA-N 1 0 288.391 2.331 10 0 CEAERO C[NH2+][C@@H]1CCCc2c(OCC(=O)N3CCCC3)cccc21 ZINC000088151719 179558017 /nfs/dbraw/zinc/55/80/17/179558017.db2.gz HEINNOGQPXMJDX-OAHLLOKOSA-N 1 0 288.391 2.285 10 0 CEAERO Cc1cc(-c2noc(C[C@@H]3CCC[NH2+]3)n2)cc(C)c1O ZINC000088153314 179558444 /nfs/dbraw/zinc/55/84/44/179558444.db2.gz UIEFEEMFKMPVMC-LBPRGKRZSA-N 1 0 273.336 2.354 10 0 CEAERO C[C@H](O)C[C@H](C[NH3+])c1cccc(Br)c1 ZINC000088187331 179560989 /nfs/dbraw/zinc/56/09/89/179560989.db2.gz QNPYBEYJHAILSY-WCBMZHEXSA-N 1 0 258.159 2.262 10 0 CEAERO Nc1ccccc1[C@H]1c2ccccc2CC[N@H+]1CCO ZINC000616679374 348558301 /nfs/dbraw/zinc/55/83/01/348558301.db2.gz USBLFKRGXDMZCH-QGZVFWFLSA-N 1 0 268.360 2.209 10 0 CEAERO [NH3+]C[C@@H]1CNc2ccccc2N1Cc1ccccc1 ZINC000616685387 348560321 /nfs/dbraw/zinc/56/03/21/348560321.db2.gz UVYQUOARTPYKKE-CQSZACIVSA-N 1 0 253.349 2.446 10 0 CEAERO CCCCc1nc(Cl)c(C[NH2+]C[C@H](C)CO)[nH]1 ZINC000088399376 179593152 /nfs/dbraw/zinc/59/31/52/179593152.db2.gz QZVQACJOPISVTF-VIFPVBQESA-N 1 0 259.781 2.124 10 0 CEAERO CCOc1ccccc1OCCN1CC[NH2+]CC[C@H]1C ZINC000088415647 179596427 /nfs/dbraw/zinc/59/64/27/179596427.db2.gz HIHDLHXVRPEXCY-CQSZACIVSA-N 1 0 278.396 2.148 10 0 CEAERO Cc1nn(C)c(N2CCC[C@H](C(F)(F)F)C2)c1CC[NH3+] ZINC000088439372 179602277 /nfs/dbraw/zinc/60/22/77/179602277.db2.gz CNBJNQNBVKSKBP-JTQLQIEISA-N 1 0 290.333 2.008 10 0 CEAERO CCN(C(=O)[C@@H]1C[NH2+]C[C@@H](C)C1)c1ccccc1F ZINC000088450835 179606890 /nfs/dbraw/zinc/60/68/90/179606890.db2.gz FPMQAUUXVGUMGD-RYUDHWBXSA-N 1 0 264.344 2.424 10 0 CEAERO Cc1ncsc1CN(C)C(=O)C[C@H](C[NH3+])CC(C)C ZINC000088289326 179575420 /nfs/dbraw/zinc/57/54/20/179575420.db2.gz RJHYFJXPAUQYFK-GFCCVEGCSA-N 1 0 283.441 2.421 10 0 CEAERO CC(C)(C)[NH2+]CCCCn1c(=O)oc2cccnc21 ZINC000088397159 179591805 /nfs/dbraw/zinc/59/18/05/179591805.db2.gz CTYWGKHTWDDWNS-UHFFFAOYSA-N 1 0 263.341 2.158 10 0 CEAERO CCC[NH2+][C@@H](Cc1ncnn1CCC)C[C@H]1CCCO1 ZINC000088610609 179637758 /nfs/dbraw/zinc/63/77/58/179637758.db2.gz BGVGFQCGRJKDCV-ZIAGYGMSSA-N 1 0 280.416 2.168 10 0 CEAERO CC(C)Cn1ncnc1C[C@@H]([NH3+])Cc1ccc(F)cc1 ZINC000088610182 179637986 /nfs/dbraw/zinc/63/79/86/179637986.db2.gz WTUKDKOGDPRAIO-AWEZNQCLSA-N 1 0 276.359 2.186 10 0 CEAERO CCn1ncnc1C[C@@H]([NH3+])Cc1cc(C)cc(C)c1 ZINC000088611764 179638478 /nfs/dbraw/zinc/63/84/78/179638478.db2.gz AMMRPUFHQBKRFX-AWEZNQCLSA-N 1 0 258.369 2.027 10 0 CEAERO Cc1ccc(OCc2ncnn2C(C)C)c(CC[NH3+])c1 ZINC000088617598 179640491 /nfs/dbraw/zinc/64/04/91/179640491.db2.gz QEHNPDXRIVBLPF-UHFFFAOYSA-N 1 0 274.368 2.248 10 0 CEAERO CC(C)Cn1ncnc1COc1cccc(C[C@@H](C)[NH3+])c1 ZINC000088617476 179640604 /nfs/dbraw/zinc/64/06/04/179640604.db2.gz DTVMCGUAKAQYET-CYBMUJFWSA-N 1 0 288.395 2.403 10 0 CEAERO CC[C@H]1CC[NH2+][C@@H](Cc2ncnn2CC(C)C)C1 ZINC000088623158 179641372 /nfs/dbraw/zinc/64/13/72/179641372.db2.gz PRPHSDSFXVNQLB-QWHCGFSZSA-N 1 0 250.390 2.255 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1ncnn1CC ZINC000088625670 179642930 /nfs/dbraw/zinc/64/29/30/179642930.db2.gz RFABUSMVSJRQLB-GDBMZVCRSA-N 1 0 291.443 2.041 10 0 CEAERO C[C@@H]1CC[C@@H](C)N(S(=O)(=O)Cc2cccc(C[NH3+])c2)C1 ZINC000088704743 179653028 /nfs/dbraw/zinc/65/30/28/179653028.db2.gz FOUPRQSAYHSDCT-CHWSQXEVSA-N 1 0 296.436 2.096 10 0 CEAERO CC[NH2+][C@H](Cc1ccncc1Cl)[C@@H]1CCOC1 ZINC000088789574 179672332 /nfs/dbraw/zinc/67/23/32/179672332.db2.gz MXEOYQVLSUTNIF-DGCLKSJQSA-N 1 0 254.761 2.292 10 0 CEAERO C[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(C)C)cc1 ZINC000088846313 179681705 /nfs/dbraw/zinc/68/17/05/179681705.db2.gz XHQTZGMISXSHFE-HNNXBMFYSA-N 1 0 296.436 2.215 10 0 CEAERO FC(F)(F)OCCN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000089055905 179694975 /nfs/dbraw/zinc/69/49/75/179694975.db2.gz GHJKFHKYEDNNCT-QWRGUYRKSA-N 1 0 266.307 2.129 10 0 CEAERO NC(=O)c1ccc(Cl)cc1N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089108587 179704673 /nfs/dbraw/zinc/70/46/73/179704673.db2.gz TXHLEXXTFURXDP-JOYOIKCWSA-N 1 0 281.787 2.368 10 0 CEAERO CN(C(=O)c1ccccc1OC(F)F)[C@H]1CCC[C@H]1C[NH3+] ZINC000089109909 179705547 /nfs/dbraw/zinc/70/55/47/179705547.db2.gz WMEPOQPDISNVAL-JQWIXIFHSA-N 1 0 298.333 2.487 10 0 CEAERO CC[NH2+]Cc1ccc(S(=O)(=O)NC[C@H](C)CC)s1 ZINC000089025894 179692881 /nfs/dbraw/zinc/69/28/81/179692881.db2.gz WUPPBDWJYCWRDL-SNVBAGLBSA-N 1 0 290.454 2.182 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc2cc[nH]c2c1 ZINC000089091455 539688578 /nfs/dbraw/zinc/68/85/78/539688578.db2.gz TVXUTIXPGCIFJJ-OLZOCXBDSA-N 1 0 257.337 2.025 10 0 CEAERO COCC(=O)Nc1cccc(N[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000089142700 179720828 /nfs/dbraw/zinc/72/08/28/179720828.db2.gz WPMVTCHTTGCHHD-SWLSCSKDSA-N 1 0 291.395 2.201 10 0 CEAERO NC(=O)Nc1ccc(N[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000089144186 179722525 /nfs/dbraw/zinc/72/25/25/179722525.db2.gz QGCSWWZYQIIHAQ-ZWNOBZJWSA-N 1 0 262.357 2.107 10 0 CEAERO CCN(C(=O)c1ccoc1C)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089113830 179708378 /nfs/dbraw/zinc/70/83/78/179708378.db2.gz JJKIIKXCAXVDAT-WCQYABFASA-N 1 0 250.342 2.178 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccccc1N(CC)CCOC ZINC000104272599 185950877 /nfs/dbraw/zinc/95/08/77/185950877.db2.gz BHXMWDFIEFDFHP-CQSZACIVSA-N 1 0 250.386 2.439 10 0 CEAERO CC[C@@H]([NH3+])Cc1c(-n2ccc(C)n2)nc2sccn12 ZINC000104282303 185954055 /nfs/dbraw/zinc/95/40/55/185954055.db2.gz GTIQDPLWVJOJAQ-SNVBAGLBSA-N 1 0 275.381 2.170 10 0 CEAERO CCn1nc(C[C@]2(C[NH3+])CCCC[C@@H]2O)c2ccccc21 ZINC000089180481 179744719 /nfs/dbraw/zinc/74/47/19/179744719.db2.gz VFGVDYTVYLKIOL-IRXDYDNUSA-N 1 0 287.407 2.479 10 0 CEAERO CCn1nc(C)cc1COCC[C@H]1CCCC[NH2+]1 ZINC000089186759 179747356 /nfs/dbraw/zinc/74/73/56/179747356.db2.gz GHHRSFKLOLMMEY-CYBMUJFWSA-N 1 0 251.374 2.260 10 0 CEAERO Cc1cc(C[C@@]2(C[NH3+])CCc3ccccc3C2)n(C)n1 ZINC000089230947 179758908 /nfs/dbraw/zinc/75/89/08/179758908.db2.gz PQBOMGAUCJVXQA-QGZVFWFLSA-N 1 0 269.392 2.405 10 0 CEAERO Cc1cc(C[C@]2([NH3+])CCCc3ccccc32)n(C)n1 ZINC000089190560 179749079 /nfs/dbraw/zinc/74/90/79/179749079.db2.gz WGHYJZVJNHTTBP-MRXNPFEDSA-N 1 0 255.365 2.462 10 0 CEAERO CCC[NH2+][C@@H](Cc1cc(C)nn1C)Cc1ccccn1 ZINC000089193268 179749691 /nfs/dbraw/zinc/74/96/91/179749691.db2.gz ATTKZMAREAWTAZ-OAHLLOKOSA-N 1 0 272.396 2.277 10 0 CEAERO CCc1cc(C[C@H]([NH3+])Cc2csc(C)n2)n(CC)n1 ZINC000089194341 179750189 /nfs/dbraw/zinc/75/01/89/179750189.db2.gz RQNJFMZZRKGDOM-LLVKDONJSA-N 1 0 278.425 2.343 10 0 CEAERO [NH3+]C[C@H](c1ccc(Cl)cc1)N1[C@@H]2CC[C@H]1CC(O)C2 ZINC000104307099 185961868 /nfs/dbraw/zinc/96/18/68/185961868.db2.gz FWZUYEOWTAXNAP-IZGVIRRGSA-N 1 0 280.799 2.328 10 0 CEAERO CCC[NH2+][C@@H](Cc1cc(C)nn1C)[C@@H](C)OCC ZINC000089198348 179751699 /nfs/dbraw/zinc/75/16/99/179751699.db2.gz VALSHCVHZYWVME-OCCSQVGLSA-N 1 0 253.390 2.064 10 0 CEAERO CN(Cc1cccc(F)c1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089450140 539715953 /nfs/dbraw/zinc/71/59/53/539715953.db2.gz BYBJYCCPBDOBOE-GXTWGEPZSA-N 1 0 264.344 2.159 10 0 CEAERO COc1ccc(OC)c(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000089449142 539716321 /nfs/dbraw/zinc/71/63/21/539716321.db2.gz YODKDMWTRSXCJN-CMPLNLGQSA-N 1 0 278.352 2.017 10 0 CEAERO CN(Cc1ccc(F)cc1F)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089455906 539717199 /nfs/dbraw/zinc/71/71/99/539717199.db2.gz ODLYHZFNJPSPLG-GWCFXTLKSA-N 1 0 282.334 2.298 10 0 CEAERO C[NH2+]C[C@@H](Cc1cc(C)nn1C)Cc1ccc(OC)cc1 ZINC000089205873 179754287 /nfs/dbraw/zinc/75/42/87/179754287.db2.gz WNFWIBKKJVXPSP-OAHLLOKOSA-N 1 0 287.407 2.358 10 0 CEAERO CCc1cc(CN2C[C@H](C)[NH2+]C[C@@H]2C2CC2)n(CC)n1 ZINC000089208727 179754638 /nfs/dbraw/zinc/75/46/38/179754638.db2.gz UKXYWFNFSXJKOF-BLLLJJGKSA-N 1 0 276.428 2.038 10 0 CEAERO CC1(C)CCC(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089463110 539718883 /nfs/dbraw/zinc/71/88/83/539718883.db2.gz KVNFWUZIDSCDGW-DGCLKSJQSA-N 1 0 252.402 2.446 10 0 CEAERO CCc1nn(C)c(COC[C@@H]2CCC[NH2+]C2)c1Cl ZINC000089321135 179769054 /nfs/dbraw/zinc/76/90/54/179769054.db2.gz LETHYERHYXVUTN-SNVBAGLBSA-N 1 0 271.792 2.152 10 0 CEAERO C[C@H](OCc1ccccc1)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000404496636 233192829 /nfs/dbraw/zinc/19/28/29/233192829.db2.gz HLBISRMJKSKJNY-JKIFEVAISA-N 1 0 290.407 2.035 10 0 CEAERO CCn1nc(C)c(Cl)c1CC1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000089282433 179764536 /nfs/dbraw/zinc/76/45/36/179764536.db2.gz MNRSKVMSQBQDKG-BVUQATHDSA-N 1 0 283.803 2.053 10 0 CEAERO COCCN(C(=O)[C@@H]1CCCC[C@@H]1C[NH3+])[C@@H](C)C1CC1 ZINC000089391983 179778734 /nfs/dbraw/zinc/77/87/34/179778734.db2.gz KQTPDEVHXASENJ-NWANDNLSSA-N 1 0 282.428 2.025 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1C(=O)N1CCOc2ccccc2C1 ZINC000089394826 179779400 /nfs/dbraw/zinc/77/94/00/179779400.db2.gz IPFFWLNKTICIGN-DZGCQCFKSA-N 1 0 288.391 2.173 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@@H]1C(=O)N(CC(F)(F)F)C1CC1 ZINC000089396832 179779880 /nfs/dbraw/zinc/77/98/80/179779880.db2.gz URENAANFKAWNBD-KOLCDFICSA-N 1 0 278.318 2.305 10 0 CEAERO CC1(CNC(=O)[C@H]2CCCC[C@@H]2C[NH3+])CCCC1 ZINC000089399857 179781437 /nfs/dbraw/zinc/78/14/37/179781437.db2.gz FQZAWEUHZSJLFU-OLZOCXBDSA-N 1 0 252.402 2.448 10 0 CEAERO CN(Cc1ccc(F)cc1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089450885 179792149 /nfs/dbraw/zinc/79/21/49/179792149.db2.gz NWOKHZZZHUKEPX-JSGCOSHPSA-N 1 0 264.344 2.159 10 0 CEAERO COC(=O)Nc1ccc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089454061 179793426 /nfs/dbraw/zinc/79/34/26/179793426.db2.gz HPJPBEMEFAEYHD-GXFFZTMASA-N 1 0 291.351 2.178 10 0 CEAERO CC(C)Oc1ncccc1NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089460327 179795961 /nfs/dbraw/zinc/79/59/61/179795961.db2.gz FZOJQUVLEOPKAR-RYUDHWBXSA-N 1 0 277.368 2.182 10 0 CEAERO CCn1nc(CC2(O)CCC([NH2+]C)CC2)c2ccccc21 ZINC000089539467 179813920 /nfs/dbraw/zinc/81/39/20/179813920.db2.gz ANEDAIULWPQNIT-UHFFFAOYSA-N 1 0 287.407 2.492 10 0 CEAERO CC[C@@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1nccs1 ZINC000089463147 179797308 /nfs/dbraw/zinc/79/73/08/179797308.db2.gz GTTOKEDHERBTRA-GMTAPVOTSA-N 1 0 267.398 2.085 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1ncccc1Br ZINC000089482519 179800928 /nfs/dbraw/zinc/80/09/28/179800928.db2.gz HJDKNDJFKPOHTR-IUCAKERBSA-N 1 0 298.184 2.158 10 0 CEAERO COc1ccc(OCC[NH2+]C[C@H]2CCC[C@H]2CO)cc1 ZINC000089498396 179804169 /nfs/dbraw/zinc/80/41/69/179804169.db2.gz MJHLICBGWJDZQV-KGLIPLIRSA-N 1 0 279.380 2.072 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1CNC(=O)c1c(F)cccc1F ZINC000089500458 179804815 /nfs/dbraw/zinc/80/48/15/179804815.db2.gz GSAMJKGNOJYBLR-ZJUUUORDSA-N 1 0 268.307 2.070 10 0 CEAERO COc1ccc(CCC(=O)NC[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089500775 179804920 /nfs/dbraw/zinc/80/49/20/179804920.db2.gz JCUDUSYUYYIUNI-HUUCEWRRSA-N 1 0 290.407 2.119 10 0 CEAERO CN(C)c1ccc(C(=O)NC[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000089530533 179810658 /nfs/dbraw/zinc/81/06/58/179810658.db2.gz YYFROAZERVXWCQ-HUUCEWRRSA-N 1 0 289.423 2.248 10 0 CEAERO CC1CCC(CCNC(=O)C[C@@H]2CC[NH2+]C2)CC1 ZINC000089748496 179858941 /nfs/dbraw/zinc/85/89/41/179858941.db2.gz IUYHKKMOGCMZSS-RUXDESIVSA-N 1 0 252.402 2.319 10 0 CEAERO CCCc1ccc([C@@H](C)[NH2+][C@H]2CCC(=O)NC2=O)cc1 ZINC000089751581 179859834 /nfs/dbraw/zinc/85/98/34/179859834.db2.gz WMXRPDGCJAJQMW-RISCZKNCSA-N 1 0 274.364 2.095 10 0 CEAERO C[C@@H]1CN(C(=O)c2cc(F)c(F)c(F)c2)C[C@H]1[NH+](C)C ZINC000089710112 179850742 /nfs/dbraw/zinc/85/07/42/179850742.db2.gz GJSWYUKDUFOKHO-PRHODGIISA-N 1 0 286.297 2.126 10 0 CEAERO CCn1cncc1[C@H](C[NH3+])N(C)Cc1cccs1 ZINC000090174379 179926100 /nfs/dbraw/zinc/92/61/00/179926100.db2.gz PFCNJNRGEYJNKI-LBPRGKRZSA-N 1 0 264.398 2.096 10 0 CEAERO COc1ccc([C@H](SCCCO)[C@@H](C)[NH3+])cc1 ZINC000090107011 179915764 /nfs/dbraw/zinc/91/57/64/179915764.db2.gz OEMOSQBCBQECCX-ZWNOBZJWSA-N 1 0 255.383 2.199 10 0 CEAERO CCc1cc(C(=O)N[C@]2(C[NH3+])CCC[C@@H](C)C2)n(CC)n1 ZINC000090139319 179919128 /nfs/dbraw/zinc/91/91/28/179919128.db2.gz KCIBYDZUWUJBOM-MLGOLLRUSA-N 1 0 292.427 2.103 10 0 CEAERO CC(C)C[C@@](C)(O)C[NH2+]C[C@@H](O)c1cc(F)ccc1F ZINC000090272359 179944888 /nfs/dbraw/zinc/94/48/88/179944888.db2.gz DEZFNWIPCXAVOO-HUUCEWRRSA-N 1 0 287.350 2.385 10 0 CEAERO C[C@@H]([NH2+]C[C@](C)(O)CO)c1cccc(C(F)(F)F)c1 ZINC000090285036 179949150 /nfs/dbraw/zinc/94/91/50/179949150.db2.gz JUVWRKZTZGFWOJ-SKDRFNHKSA-N 1 0 277.286 2.099 10 0 CEAERO CCN(C(=O)c1cccc2ccccc21)C1C[NH2+]C1 ZINC000090291161 179951428 /nfs/dbraw/zinc/95/14/28/179951428.db2.gz SEVUOJDKHLOFLN-UHFFFAOYSA-N 1 0 254.333 2.274 10 0 CEAERO CCCN(C(=O)c1c(C)oc(C)c1C)C1C[NH2+]C1 ZINC000090292828 179951552 /nfs/dbraw/zinc/95/15/52/179951552.db2.gz XGUACNBPBPPIEC-UHFFFAOYSA-N 1 0 250.342 2.029 10 0 CEAERO CCCn1cncc1[C@@H]1[C@H]([NH3+])CCN1C(C)(C)C ZINC000090205372 179931413 /nfs/dbraw/zinc/93/14/13/179931413.db2.gz GEEGJCQLRLOAFO-YPMHNXCESA-N 1 0 250.390 2.166 10 0 CEAERO CC(C)C[C@@](C)(O)C[NH2+]Cc1cnn2ccccc12 ZINC000090269009 179943409 /nfs/dbraw/zinc/94/34/09/179943409.db2.gz CMDZSMDOBIXFQU-OAHLLOKOSA-N 1 0 261.369 2.221 10 0 CEAERO CC1(C)[C@H]2C[NH2+]C[C@H]2CN1C(=O)c1ccc(Cl)s1 ZINC000090336497 179964938 /nfs/dbraw/zinc/96/49/38/179964938.db2.gz NKOUAQPMFWXLGD-IUCAKERBSA-N 1 0 284.812 2.472 10 0 CEAERO COc1ccc(NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2(C)C)cc1 ZINC000090336714 179966173 /nfs/dbraw/zinc/96/61/73/179966173.db2.gz GIJADRHGKQAQOZ-BXUZGUMPSA-N 1 0 289.379 2.157 10 0 CEAERO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1c1nncc2ccccc21 ZINC000090338623 179966477 /nfs/dbraw/zinc/96/64/77/179966477.db2.gz KRQGCXOLISVFMC-GXTWGEPZSA-N 1 0 268.364 2.064 10 0 CEAERO Cc1nnc(N2C[C@@H]3C[NH2+]C[C@@H]3C2(C)C)c2ccccc12 ZINC000090338739 179966813 /nfs/dbraw/zinc/96/68/13/179966813.db2.gz QLNMTQQPOXLKIN-WFASDCNBSA-N 1 0 282.391 2.372 10 0 CEAERO C[C@H]([NH3+])CCSCC(=O)Nc1ccc(F)c(F)c1 ZINC000090346710 179970584 /nfs/dbraw/zinc/97/05/84/179970584.db2.gz ZBXIWJIFXQBTSX-QMMMGPOBSA-N 1 0 274.336 2.374 10 0 CEAERO COc1ccccc1NC(=O)CS[C@@H](C)CC[NH3+] ZINC000090354368 179973344 /nfs/dbraw/zinc/97/33/44/179973344.db2.gz DINCZFKHMYFUTK-JTQLQIEISA-N 1 0 268.382 2.104 10 0 CEAERO Cc1ccc(CN(C)C(=O)CS[C@H](C)CC[NH3+])cc1 ZINC000090354597 179973594 /nfs/dbraw/zinc/97/35/94/179973594.db2.gz NHQFYFMANDKEHT-CYBMUJFWSA-N 1 0 280.437 2.424 10 0 CEAERO C[C@H](CC[NH3+])SCC(=O)Nc1cccc2nsnc21 ZINC000090354743 179974261 /nfs/dbraw/zinc/97/42/61/179974261.db2.gz DYAVACBRRKFDHN-MRVPVSSYSA-N 1 0 296.421 2.100 10 0 CEAERO CC[C@@H]([NH3+])CSC[C@@H](O)COCc1ccccc1 ZINC000090357189 179975837 /nfs/dbraw/zinc/97/58/37/179975837.db2.gz XOFYMANGXYYIDM-KGLIPLIRSA-N 1 0 269.410 2.035 10 0 CEAERO COC(=O)c1cccc(CSCC(C)(C)[NH3+])c1 ZINC000090358563 179976415 /nfs/dbraw/zinc/97/64/15/179976415.db2.gz OBKYFBHXVKDERB-UHFFFAOYSA-N 1 0 253.367 2.444 10 0 CEAERO CCC[C@H](C)NC(=O)[C@H](C)n1cc(C[NH2+]C(C)(C)C)nn1 ZINC000090298207 179953280 /nfs/dbraw/zinc/95/32/80/179953280.db2.gz ROQLATHWKSVDLG-RYUDHWBXSA-N 1 0 295.431 2.032 10 0 CEAERO COc1ccc([C@H](C)NC(=O)C[C@@H]2CCCC[NH2+]2)cc1 ZINC000090310619 179955338 /nfs/dbraw/zinc/95/53/38/179955338.db2.gz XUTDFJMDLGLJLY-JSGCOSHPSA-N 1 0 276.380 2.405 10 0 CEAERO C[C@@H]1CCN(CCOCC(F)(F)F)CC[C@@H](C)[NH2+]1 ZINC000104440340 186003365 /nfs/dbraw/zinc/00/33/65/186003365.db2.gz FEWAZEKPODYOMM-GHMZBOCLSA-N 1 0 268.323 2.028 10 0 CEAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000623763771 350105711 /nfs/dbraw/zinc/10/57/11/350105711.db2.gz OOHKWVOKQYYCDH-NWDGAFQWSA-N 1 0 276.163 2.233 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccc(C)cc1F ZINC000090539540 180000346 /nfs/dbraw/zinc/00/03/46/180000346.db2.gz DLVOGTSLILTAAJ-BXUZGUMPSA-N 1 0 280.343 2.087 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(C)c(F)c1 ZINC000090539056 180000579 /nfs/dbraw/zinc/00/05/79/180000579.db2.gz UYMVHYMPISZHMM-GXTWGEPZSA-N 1 0 280.343 2.087 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)N[C@@H](CC)c1cccs1 ZINC000090543868 180001043 /nfs/dbraw/zinc/00/10/43/180001043.db2.gz ZXRSXYLLGKPJRI-FRRDWIJNSA-N 1 0 296.436 2.330 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)N1CCC(CC)(CC)CC1 ZINC000090545169 180001051 /nfs/dbraw/zinc/00/10/51/180001051.db2.gz FHSYTBYUIAITPP-GJZGRUSLSA-N 1 0 296.455 2.430 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1CN(C)c1ccccc1F ZINC000090566727 180006222 /nfs/dbraw/zinc/00/62/22/180006222.db2.gz RDQGYPMYMJGESY-JSGCOSHPSA-N 1 0 266.360 2.277 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1CN1CCC(C(F)(F)F)CC1 ZINC000090567254 180006653 /nfs/dbraw/zinc/00/66/53/180006653.db2.gz URDUYAOJVGLPIZ-YPMHNXCESA-N 1 0 294.361 2.275 10 0 CEAERO CCCn1c2cc(F)ccc2nc1[C@]1(C)COC[C@H]1[NH3+] ZINC000090571858 180007833 /nfs/dbraw/zinc/00/78/33/180007833.db2.gz ILEGBBBFMFTFAB-UKRRQHHQSA-N 1 0 277.343 2.201 10 0 CEAERO CCCCc1ccc(NC(=O)[C@]2(C)COC[C@@H]2[NH3+])cc1 ZINC000090582901 180008659 /nfs/dbraw/zinc/00/86/59/180008659.db2.gz ROYLSMDEBDPNJI-GOEBONIOSA-N 1 0 276.380 2.332 10 0 CEAERO Cc1ccccc1[C@@H]1CCCN1C(=O)[C@]1(C)COC[C@@H]1[NH3+] ZINC000090593812 180010042 /nfs/dbraw/zinc/01/00/42/180010042.db2.gz ZNTAZVVOHPYUMJ-YQQAZPJKSA-N 1 0 288.391 2.022 10 0 CEAERO C[C@H](c1ccccc1Cl)N(C)C(=O)[C@]1(C)COC[C@@H]1[NH3+] ZINC000090592118 180010240 /nfs/dbraw/zinc/01/02/40/180010240.db2.gz GBRNEJZUBNUBTB-RIEGTJTDSA-N 1 0 296.798 2.223 10 0 CEAERO CCC[NH2+][C@@](C)(CO)CCCO[C@@H](C)C(F)(F)F ZINC000090675983 180022402 /nfs/dbraw/zinc/02/24/02/180022402.db2.gz UDXITUIUAJUCLG-WDEREUQCSA-N 1 0 271.323 2.485 10 0 CEAERO CCC[NH2+][C@](C)(CO)C[C@@H](C)O[C@@H](C)C(F)(F)F ZINC000090676010 180022553 /nfs/dbraw/zinc/02/25/53/180022553.db2.gz ABXLZVPDJDLDHL-VWYCJHECSA-N 1 0 271.323 2.483 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)CCO[C@@H](C)C(F)(F)F ZINC000090676039 180022556 /nfs/dbraw/zinc/02/25/56/180022556.db2.gz AGYWMGQGCRVKKI-VHSXEESVSA-N 1 0 257.296 2.093 10 0 CEAERO COc1cc2c(cc1OC)CN([C@H]1C[NH2+]CC[C@@H]1C)CC2 ZINC000090695420 180025967 /nfs/dbraw/zinc/02/59/67/180025967.db2.gz LOEUOZUZXQGKJD-WFASDCNBSA-N 1 0 290.407 2.060 10 0 CEAERO COC(=O)c1cc(NC[C@@H]2CC[N@@H+](C(C)C)C2)ccn1 ZINC000090737473 180034079 /nfs/dbraw/zinc/03/40/79/180034079.db2.gz LFJLEIBGUXVGAL-LBPRGKRZSA-N 1 0 277.368 2.010 10 0 CEAERO CCOc1cc(N(CC)[C@@H]2CCCC[C@@H]2C[NH3+])ncn1 ZINC000090784442 180039684 /nfs/dbraw/zinc/03/96/84/180039684.db2.gz HZVBBSARCLICRG-CHWSQXEVSA-N 1 0 278.400 2.219 10 0 CEAERO COc1cc(N(CCC[NH3+])c2ccccc2)nc(C)n1 ZINC000090786919 180040940 /nfs/dbraw/zinc/04/09/40/180040940.db2.gz OCRXYPGTPFQDOU-UHFFFAOYSA-N 1 0 272.352 2.281 10 0 CEAERO CCOc1cc(N[C@H]2CCCC[C@@H]2C[NH3+])nc(C)n1 ZINC000090787961 180041231 /nfs/dbraw/zinc/04/12/31/180041231.db2.gz KAZUKYHANWVZOX-NEPJUHHUSA-N 1 0 264.373 2.113 10 0 CEAERO CCOc1cc(N(C)c2cccc(C[NH3+])c2)nc(C)n1 ZINC000090787769 180041505 /nfs/dbraw/zinc/04/15/05/180041505.db2.gz JIQFNAOOYGCPNO-UHFFFAOYSA-N 1 0 272.352 2.410 10 0 CEAERO CCOc1ncnc(N(C)[C@@H]2CCCC[C@@H]2C[NH3+])c1C ZINC000090789719 180041751 /nfs/dbraw/zinc/04/17/51/180041751.db2.gz YCZMHPVUWZKWFW-CHWSQXEVSA-N 1 0 278.400 2.137 10 0 CEAERO CCOc1ncnc(N(CC[NH3+])C(CC)CC)c1C ZINC000090790149 180041764 /nfs/dbraw/zinc/04/17/64/180041764.db2.gz BKOAZXOGGGYFLI-UHFFFAOYSA-N 1 0 266.389 2.137 10 0 CEAERO CCOc1ncnc(O[C@@H]2CCCC[C@@H]2C[NH3+])c1C ZINC000090789853 180041894 /nfs/dbraw/zinc/04/18/94/180041894.db2.gz SQOSNFOACQUCNL-VXGBXAGGSA-N 1 0 265.357 2.080 10 0 CEAERO CCOc1ncnc(N2CCC[C@@H]2C[NH2+]CC(C)C)c1C ZINC000090789889 180041924 /nfs/dbraw/zinc/04/19/24/180041924.db2.gz AINWNDNCSATWNT-CQSZACIVSA-N 1 0 292.427 2.398 10 0 CEAERO COc1ncnc(NCCC[N@@H+]2CCCC[C@@H]2C)c1C ZINC000090790618 180042136 /nfs/dbraw/zinc/04/21/36/180042136.db2.gz GIOICBAOFWZXDQ-LBPRGKRZSA-N 1 0 278.400 2.470 10 0 CEAERO C[C@H](C[NH3+])CN1CCN(c2snc3ccccc32)CC1 ZINC000090868850 180048913 /nfs/dbraw/zinc/04/89/13/180048913.db2.gz QDPMVQAXPGYODL-GFCCVEGCSA-N 1 0 290.436 2.013 10 0 CEAERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1Nc1snc2ccccc21 ZINC000090869470 180049223 /nfs/dbraw/zinc/04/92/23/180049223.db2.gz OZNKHFFXSHBQSP-WCQGTBRESA-N 1 0 263.366 2.213 10 0 CEAERO CCS(=O)(=O)CCCSc1cccc(C[NH3+])c1 ZINC000090870337 180049247 /nfs/dbraw/zinc/04/92/47/180049247.db2.gz RQJUMEXEKYXSOQ-UHFFFAOYSA-N 1 0 273.423 2.062 10 0 CEAERO CCCNC(=O)[C@H](C)Sc1cccc(C[NH2+]C)c1 ZINC000090870734 180049433 /nfs/dbraw/zinc/04/94/33/180049433.db2.gz GWJUQOKOWVRYLW-NSHDSACASA-N 1 0 266.410 2.413 10 0 CEAERO O=C1OCC[C@H]1Sc1cccc(C[NH2+]C2CC2)c1 ZINC000090872275 180049679 /nfs/dbraw/zinc/04/96/79/180049679.db2.gz NXLZYBZTRLKJKI-CYBMUJFWSA-N 1 0 263.362 2.346 10 0 CEAERO CCCNC(=O)CSc1cccc(C[NH2+]CCOC)c1 ZINC000090873125 180050251 /nfs/dbraw/zinc/05/02/51/180050251.db2.gz SOLIBGQJYSADOH-UHFFFAOYSA-N 1 0 296.436 2.041 10 0 CEAERO C[C@H](CN1CCCCC1)[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000090874413 180050304 /nfs/dbraw/zinc/05/03/04/180050304.db2.gz BPKOKKUHVTZSPA-GDBMZVCRSA-N 1 0 274.408 2.454 10 0 CEAERO CCn1c(-c2csc(CC[NH3+])n2)nc2cccnc21 ZINC000090934781 180067080 /nfs/dbraw/zinc/06/70/80/180067080.db2.gz BUOPAYGBTWPKGF-UHFFFAOYSA-N 1 0 273.365 2.076 10 0 CEAERO C[C@@H]1CN(C[C@@H]2Cc3ccccc3O2)[C@H](C2CC2)C[NH2+]1 ZINC000090878274 180051761 /nfs/dbraw/zinc/05/17/61/180051761.db2.gz FKMDJKNMBSSEAI-KCXAZCMYSA-N 1 0 272.392 2.062 10 0 CEAERO CCN(CC)CC[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090891943 180053965 /nfs/dbraw/zinc/05/39/65/180053965.db2.gz ZBLXXVWGKTUIMP-AWEZNQCLSA-N 1 0 266.360 2.061 10 0 CEAERO NC(=[NH2+])c1ccccc1OC[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893393 180055330 /nfs/dbraw/zinc/05/53/30/180055330.db2.gz NDJYPRBFEXEZQN-LBPRGKRZSA-N 1 0 286.306 2.492 10 0 CEAERO CC[NH2+]Cc1ccnn1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090895609 180056465 /nfs/dbraw/zinc/05/64/65/180056465.db2.gz FZEMJONZVDDRES-AWEZNQCLSA-N 1 0 275.327 2.135 10 0 CEAERO COC(=O)[C@@H](C)C[N@H+](C)C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090900863 180059093 /nfs/dbraw/zinc/05/90/93/180059093.db2.gz MSSZJPNJSHPBGP-GWCFXTLKSA-N 1 0 297.782 2.384 10 0 CEAERO CC(C)(CO)[NH2+]C[C@H]1Cc2cc(Cl)ccc2O1 ZINC000090903534 180060039 /nfs/dbraw/zinc/06/00/39/180060039.db2.gz PEDMSGOCYYKXDN-LLVKDONJSA-N 1 0 255.745 2.004 10 0 CEAERO C[C@H]([NH2+]C[C@@H]1Cc2cc(Cl)ccc2O1)c1nncn1C ZINC000090904517 180060151 /nfs/dbraw/zinc/06/01/51/180060151.db2.gz FRJMUQNGDWJGPT-CABZTGNLSA-N 1 0 292.770 2.123 10 0 CEAERO Clc1ccc2c(c1)C[C@@H](C[NH2+]CCn1cccn1)O2 ZINC000090903931 180060294 /nfs/dbraw/zinc/06/02/94/180060294.db2.gz ZVWLZJADOUJPRY-ZDUSSCGKSA-N 1 0 277.755 2.130 10 0 CEAERO [NH3+]C[C@@H](c1cccc2cccnc21)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905902 180061111 /nfs/dbraw/zinc/06/11/11/180061111.db2.gz YIOANAGBSZUFTH-LZWOXQAQSA-N 1 0 283.375 2.098 10 0 CEAERO CC(C)C[NH2+]C[C@H](C(C)C)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090907786 180062072 /nfs/dbraw/zinc/06/20/72/180062072.db2.gz UBCRWSZXQVFANO-QLFBSQMISA-N 1 0 254.418 2.120 10 0 CEAERO Cc1ccc([C@H]([NH3+])CCN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090907559 180062149 /nfs/dbraw/zinc/06/21/49/180062149.db2.gz BRNQKHQUTGYYEX-OWCLPIDISA-N 1 0 260.381 2.248 10 0 CEAERO CCC[NH2+]Cc1sc(N2C[C@H]3CC[C@@H](C2)O3)nc1C ZINC000090908160 180062184 /nfs/dbraw/zinc/06/21/84/180062184.db2.gz ZJQLQDXGZRBVGW-TXEJJXNPSA-N 1 0 281.425 2.319 10 0 CEAERO COc1cc(F)ccc1NC(=O)c1csc(CC[NH3+])n1 ZINC000090952867 180073612 /nfs/dbraw/zinc/07/36/12/180073612.db2.gz PUPYGTXVEFFLFK-UHFFFAOYSA-N 1 0 295.339 2.044 10 0 CEAERO CCOCCN(CC)Cc1csc([C@H](C)[NH3+])n1 ZINC000090958672 180074596 /nfs/dbraw/zinc/07/45/96/180074596.db2.gz FDPYJADCDGUZRU-JTQLQIEISA-N 1 0 257.403 2.021 10 0 CEAERO CC(=O)Nc1ccsc1CNC[C@H](C(C)C)[NH+](C)C ZINC000090959196 180075644 /nfs/dbraw/zinc/07/56/44/180075644.db2.gz QDBUPOZBHWOUCE-CYBMUJFWSA-N 1 0 283.441 2.382 10 0 CEAERO C[C@@H]([NH2+]Cc1ccccc1N)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000090962096 180076209 /nfs/dbraw/zinc/07/62/09/180076209.db2.gz QMBDVMOPLSARJQ-SNVBAGLBSA-N 1 0 282.347 2.289 10 0 CEAERO Nc1ccsc1C[NH2+]C[C@@H]1CCCC[C@H]1CO ZINC000090960903 180076255 /nfs/dbraw/zinc/07/62/55/180076255.db2.gz UOOSGAXWOZUGNH-QWRGUYRKSA-N 1 0 254.399 2.219 10 0 CEAERO CC(=O)Nc1ccccc1CNC[C@@H](C(C)C)[NH+](C)C ZINC000090961288 180076301 /nfs/dbraw/zinc/07/63/01/180076301.db2.gz NFNQCWSUEQXWJB-INIZCTEOSA-N 1 0 277.412 2.321 10 0 CEAERO CC(=O)Nc1ccccc1CNCC(C)(C)C[NH+](C)C ZINC000090960991 180076493 /nfs/dbraw/zinc/07/64/93/180076493.db2.gz STSGBDCXZUKCSZ-UHFFFAOYSA-N 1 0 277.412 2.322 10 0 CEAERO CCOC[C@@H](C)[NH2+]Cc1ccccc1NC(C)=O ZINC000090962478 180077084 /nfs/dbraw/zinc/07/70/84/180077084.db2.gz BKEKSRUQKFZNOW-LLVKDONJSA-N 1 0 250.342 2.160 10 0 CEAERO COCC[NH2+]C[C@H]1CCCCN1C[C@@H]1Cc2ccccc21 ZINC000090977546 180079060 /nfs/dbraw/zinc/07/90/60/180079060.db2.gz RDKYHHIMUBTUPU-DLBZAZTESA-N 1 0 288.435 2.417 10 0 CEAERO CN(C(=O)[C@@H]1Cc2ccccc21)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000090985641 180080632 /nfs/dbraw/zinc/08/06/32/180080632.db2.gz MPMGNKPJSUXTOM-NUEKZKHPSA-N 1 0 272.392 2.302 10 0 CEAERO c1ccc2c(c1)C[C@@H]2c1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000090986706 180080838 /nfs/dbraw/zinc/08/08/38/180080838.db2.gz JUABMKLOURIUJP-RISCZKNCSA-N 1 0 269.348 2.300 10 0 CEAERO CCc1nc2c(n1C[C@H]1Cc3ccccc31)CC[NH2+]C2 ZINC000090993440 180082168 /nfs/dbraw/zinc/08/21/68/180082168.db2.gz IIGJXXDIJNDPPK-CYBMUJFWSA-N 1 0 267.376 2.431 10 0 CEAERO CC[NH2+]Cc1cccn1CC(=O)Nc1cccc(OC)c1 ZINC000090995875 180082573 /nfs/dbraw/zinc/08/25/73/180082573.db2.gz DLGJZMHKOYFENE-UHFFFAOYSA-N 1 0 287.363 2.245 10 0 CEAERO c1nc(Cn2cc(C[NH2+]C3CC3)c3ccccc32)no1 ZINC000090995577 180082603 /nfs/dbraw/zinc/08/26/03/180082603.db2.gz QUGLUTFXHXAFDA-UHFFFAOYSA-N 1 0 268.320 2.325 10 0 CEAERO CCC[NH2+]Cc1cccn1Cc1ncnn1CCC ZINC000090996163 180083306 /nfs/dbraw/zinc/08/33/06/180083306.db2.gz YPKCIOPYSNRYLD-UHFFFAOYSA-N 1 0 261.373 2.038 10 0 CEAERO CC[C@@H](C)NC(=O)Cn1cccc1C[NH2+]CC(C)C ZINC000091001904 180083439 /nfs/dbraw/zinc/08/34/39/180083439.db2.gz MTZFSKSNSGRWQJ-CYBMUJFWSA-N 1 0 265.401 2.148 10 0 CEAERO Cc1nn(Cc2nccn2C)c(C)c1C[NH2+]CC(C)C ZINC000091002237 180083787 /nfs/dbraw/zinc/08/37/87/180083787.db2.gz YIOSJQQIZXKSAC-UHFFFAOYSA-N 1 0 275.400 2.027 10 0 CEAERO CC[NH2+]Cc1ccn(Cc2ncc(Cl)n2C)c1 ZINC000091003187 180083911 /nfs/dbraw/zinc/08/39/11/180083911.db2.gz CLNZUQOZGNVVAX-UHFFFAOYSA-N 1 0 252.749 2.033 10 0 CEAERO C[NH2+]Cc1ccn(CC(=O)Nc2cccc(C)c2)c1 ZINC000091003065 180083976 /nfs/dbraw/zinc/08/39/76/180083976.db2.gz NDDYOPJVKWKEFV-UHFFFAOYSA-N 1 0 257.337 2.155 10 0 CEAERO CC[NH2+]Cc1ccn(Cc2c(Cl)c(C)nn2C)c1 ZINC000091003175 180084017 /nfs/dbraw/zinc/08/40/17/180084017.db2.gz GYKYMINMDPSQIH-UHFFFAOYSA-N 1 0 266.776 2.341 10 0 CEAERO CC(C)C[NH2+]Cc1ccn(CC(=O)N[C@H](C)C(C)C)c1 ZINC000091004423 180084065 /nfs/dbraw/zinc/08/40/65/180084065.db2.gz XFLASRCMIQAQAW-CQSZACIVSA-N 1 0 279.428 2.394 10 0 CEAERO CC(C)CCNC(=O)Cn1ccc(C[NH2+]CC(C)C)c1 ZINC000091004404 180084106 /nfs/dbraw/zinc/08/41/06/180084106.db2.gz WZMNGAJZRWNMLO-UHFFFAOYSA-N 1 0 279.428 2.396 10 0 CEAERO CCCCNC(=O)Cn1nc(C)c(C[NH2+]CC(C)C)c1C ZINC000091002240 180084113 /nfs/dbraw/zinc/08/41/13/180084113.db2.gz KZCSURYZPVSSRU-UHFFFAOYSA-N 1 0 294.443 2.162 10 0 CEAERO C[C@H]([NH3+])Cc1ccn(C[C@H]2Cc3ccccc3O2)c1 ZINC000091006057 180084579 /nfs/dbraw/zinc/08/45/79/180084579.db2.gz ZSMMHPVYNIBRAE-SWLSCSKDSA-N 1 0 256.349 2.382 10 0 CEAERO CCc1cc(Cn2ccc(C[C@H]([NH3+])CC)c2)n(C)n1 ZINC000091006361 180084750 /nfs/dbraw/zinc/08/47/50/180084750.db2.gz SSGWHZIPQHFFCZ-CYBMUJFWSA-N 1 0 260.385 2.112 10 0 CEAERO OC[C@H]1CCC[C@@H]1C[NH2+]Cc1c[nH]c2ncccc12 ZINC000091019101 180087114 /nfs/dbraw/zinc/08/71/14/180087114.db2.gz LZSUXBGKHPDZFK-VXGBXAGGSA-N 1 0 259.353 2.061 10 0 CEAERO CC[NH2+]Cc1cn(CCn2cccn2)c2ncccc12 ZINC000091019964 180088003 /nfs/dbraw/zinc/08/80/03/180088003.db2.gz YOSVAJVWUMUFHU-UHFFFAOYSA-N 1 0 269.352 2.043 10 0 CEAERO Cn1cncc1Cn1cc(C[NH2+]C2CC2)c2cccnc21 ZINC000091020819 180088204 /nfs/dbraw/zinc/08/82/04/180088204.db2.gz ANESTUPWCLJMKV-UHFFFAOYSA-N 1 0 281.363 2.070 10 0 CEAERO C[NH2+]Cc1cn(Cc2nc(C(C)C)no2)c2ncccc12 ZINC000091019658 180088331 /nfs/dbraw/zinc/08/83/31/180088331.db2.gz DTMRJZDWLZZITN-UHFFFAOYSA-N 1 0 285.351 2.310 10 0 CEAERO CCCn1cccc1C[NH2+][C@@H](CC(C)C)C(=O)NC ZINC000091025282 180089625 /nfs/dbraw/zinc/08/96/25/180089625.db2.gz RZMZRDLLBWLOPC-AWEZNQCLSA-N 1 0 265.401 2.148 10 0 CEAERO Cc1cccc(-c2noc(-c3csc(CC[NH3+])n3)n2)n1 ZINC000090939043 180067938 /nfs/dbraw/zinc/06/79/38/180067938.db2.gz NJAGCJIFXMCYKM-UHFFFAOYSA-N 1 0 287.348 2.065 10 0 CEAERO [NH3+]CCc1nc(C(=O)Nc2cc(F)ccc2F)cs1 ZINC000090945601 180069263 /nfs/dbraw/zinc/06/92/63/180069263.db2.gz WUGRXUHUSXTSCN-UHFFFAOYSA-N 1 0 283.303 2.175 10 0 CEAERO C[C@H](C[NH3+])[C@H](O)c1ccsc1Br ZINC000669377168 539758537 /nfs/dbraw/zinc/75/85/37/539758537.db2.gz IFZCBDZKWFXXCL-VDTYLAMSSA-N 1 0 250.161 2.139 10 0 CEAERO CC[C@](C)(C[NH3+])[C@@](C)(O)COCc1ccccc1 ZINC000669377437 539760602 /nfs/dbraw/zinc/76/06/02/539760602.db2.gz PXNCXSMXJMBYLA-CABCVRRESA-N 1 0 251.370 2.329 10 0 CEAERO C(SC1CCCC1)c1noc(C[C@H]2CSCC[NH2+]2)n1 ZINC000091129188 180100799 /nfs/dbraw/zinc/10/07/99/180100799.db2.gz QSCJXSYCYQMDBH-JTQLQIEISA-N 1 0 299.465 2.493 10 0 CEAERO O=C(C[C@@H]1CSCC[NH2+]1)OC1CCCCCC1 ZINC000091130020 180101105 /nfs/dbraw/zinc/10/11/05/180101105.db2.gz NVESAODEVPAQHM-LLVKDONJSA-N 1 0 257.399 2.348 10 0 CEAERO CCN(CC[C@H]1C[NH2+]CCO1)c1ccc(F)cc1 ZINC000091314106 180133507 /nfs/dbraw/zinc/13/35/07/180133507.db2.gz LBVQOEYSMTWBQM-AWEZNQCLSA-N 1 0 252.333 2.031 10 0 CEAERO CC(C)NC(=O)C[C@@H](C[NH3+])N(C)Cc1ccc(Cl)cc1 ZINC000091318367 180134008 /nfs/dbraw/zinc/13/40/08/180134008.db2.gz CFZXNNNYBTZNND-AWEZNQCLSA-N 1 0 297.830 2.014 10 0 CEAERO C[N@H+](CC1CCCCC1)[C@H](CN)CC(=O)NC(C)(C)C ZINC000091321289 180134391 /nfs/dbraw/zinc/13/43/91/180134391.db2.gz WROSDBNZBJQQHP-AWEZNQCLSA-N 1 0 283.460 2.131 10 0 CEAERO [NH3+]C[C@@H](CC(=O)N1CCCC1)Nc1ccccc1Cl ZINC000091324915 180134765 /nfs/dbraw/zinc/13/47/65/180134765.db2.gz CDKREFVCKUNNRO-LLVKDONJSA-N 1 0 281.787 2.092 10 0 CEAERO CCN(CC)C(=O)C[C@H](C[NH3+])Nc1ccccc1Cl ZINC000091323024 180134842 /nfs/dbraw/zinc/13/48/42/180134842.db2.gz MNZVQFMFLXBDPB-LLVKDONJSA-N 1 0 283.803 2.338 10 0 CEAERO CC[N@H+]([C@@H](CN)CC(=O)N1CCCCC1)C1CCCCC1 ZINC000091325106 180135142 /nfs/dbraw/zinc/13/51/42/180135142.db2.gz DVGNQYQMLVRGMI-MRXNPFEDSA-N 1 0 295.471 2.371 10 0 CEAERO [NH3+]C[C@@H](CC(=O)N1CCCCC1)Nc1ccc(Cl)cc1 ZINC000091325631 180135207 /nfs/dbraw/zinc/13/52/07/180135207.db2.gz XDJIOGITVBAXFY-CQSZACIVSA-N 1 0 295.814 2.482 10 0 CEAERO COCC[NH2+]C[C@@]1(c2ccc3c(c2)OCCO3)CC[C@H]1C ZINC000091329152 180136021 /nfs/dbraw/zinc/13/60/21/180136021.db2.gz VFDBZUQHADACHJ-DYVFJYSZSA-N 1 0 291.391 2.362 10 0 CEAERO COCC[NH2+]Cc1cnn([C@H](C)C2CC2)c1C1CC1 ZINC000091338102 180136470 /nfs/dbraw/zinc/13/64/70/180136470.db2.gz WKVGGZYKIBWMRW-LLVKDONJSA-N 1 0 263.385 2.468 10 0 CEAERO c1cn2c(cn1)nnc2[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091355275 180138910 /nfs/dbraw/zinc/13/89/10/180138910.db2.gz VEFDWZJZJFMZQS-SRVKXCTJSA-N 1 0 257.341 2.108 10 0 CEAERO O=C(NCCc1cccnc1)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091359902 180141222 /nfs/dbraw/zinc/14/12/22/180141222.db2.gz XDODWGCCHCWUHD-JYJNAYRXSA-N 1 0 287.407 2.051 10 0 CEAERO O=C(NCCc1cccnc1)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000091359904 180141247 /nfs/dbraw/zinc/14/12/47/180141247.db2.gz XDODWGCCHCWUHD-PMPSAXMXSA-N 1 0 287.407 2.051 10 0 CEAERO COCC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000091361418 180141448 /nfs/dbraw/zinc/14/14/48/180141448.db2.gz MRMJVBOOKUZNAI-JYJNAYRXSA-N 1 0 294.439 2.182 10 0 CEAERO C([C@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1)N1CCSCC1 ZINC000091362152 180141755 /nfs/dbraw/zinc/14/17/55/180141755.db2.gz KHWXLAOMTINCBQ-MCIONIFRSA-N 1 0 254.443 2.346 10 0 CEAERO C[NH2+]CC[C@@H]1CCCCN1Cc1cncn1C(C)C ZINC000091273065 180117719 /nfs/dbraw/zinc/11/77/19/180117719.db2.gz DISRUGNXSUNJIM-AWEZNQCLSA-N 1 0 264.417 2.428 10 0 CEAERO CC(C)n1cncc1[C@H](O)[C@@H]1[NH2+]Cc2ccccc21 ZINC000091273627 180118021 /nfs/dbraw/zinc/11/80/21/180118021.db2.gz MIWOIMMUMNCNIQ-CABCVRRESA-N 1 0 257.337 2.342 10 0 CEAERO CN(Cc1cccs1)[C@@H](C[NH3+])c1cncn1C1CC1 ZINC000091276249 180119553 /nfs/dbraw/zinc/11/95/53/180119553.db2.gz YERRUQABEGORRE-ZDUSSCGKSA-N 1 0 276.409 2.411 10 0 CEAERO CC(C)[C@H]1CCCN1[C@@H](C[NH3+])c1cncn1C1CC1 ZINC000091276683 180119582 /nfs/dbraw/zinc/11/95/82/180119582.db2.gz NTLHPLZDAJDTHI-KGLIPLIRSA-N 1 0 262.401 2.338 10 0 CEAERO C[C@@H]1CN([C@@H](C[NH3+])c2cncn2C2CC2)C[C@@H](C)S1 ZINC000091276595 180120299 /nfs/dbraw/zinc/12/02/99/180120299.db2.gz WKNQPVNUDPCHAE-WZRBSPASSA-N 1 0 280.441 2.044 10 0 CEAERO c1cc2c(s1)CCN(CC[C@@H]1CSCC[NH2+]1)C2 ZINC000091291954 180122549 /nfs/dbraw/zinc/12/25/49/180122549.db2.gz HOBDFIVICLSYNF-GFCCVEGCSA-N 1 0 268.451 2.201 10 0 CEAERO O=C(C[C@@H]1CSCC[NH2+]1)N1CCC2(CCCC2)CC1 ZINC000091291284 180122584 /nfs/dbraw/zinc/12/25/84/180122584.db2.gz HYNKIEJGMFGKJH-CYBMUJFWSA-N 1 0 282.453 2.264 10 0 CEAERO CCn1c(C[C@@H]2C[NH2+]CCO2)nc2cc(Cl)ccc21 ZINC000091293223 180123994 /nfs/dbraw/zinc/12/39/94/180123994.db2.gz VILSALPEYGCDIG-LLVKDONJSA-N 1 0 279.771 2.241 10 0 CEAERO CC(C)(C)n1c(C[C@@H]2C[NH2+]CCO2)nc2ccccc21 ZINC000091293177 180124132 /nfs/dbraw/zinc/12/41/32/180124132.db2.gz QPOKNCZPCLATQI-GFCCVEGCSA-N 1 0 273.380 2.322 10 0 CEAERO CC1(C)CCC(c2noc(C[C@H]3C[NH2+]CCO3)n2)CC1 ZINC000091295184 180124811 /nfs/dbraw/zinc/12/48/11/180124811.db2.gz NQALEUYFXWUATK-LBPRGKRZSA-N 1 0 279.384 2.284 10 0 CEAERO OC1CC([NH2+][C@@H](c2ccccc2)c2ccncc2)C1 ZINC000091432237 180153740 /nfs/dbraw/zinc/15/37/40/180153740.db2.gz LSQMWOOYCXIRMA-GPANFISMSA-N 1 0 254.333 2.284 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(CCNc2ccccc2F)C1 ZINC000091430882 180153797 /nfs/dbraw/zinc/15/37/97/180153797.db2.gz NMGIMCOXUTZBHY-CYBMUJFWSA-N 1 0 265.376 2.264 10 0 CEAERO CCOc1ccccc1Oc1cncc(C[NH2+]C)n1 ZINC000091434270 180154083 /nfs/dbraw/zinc/15/40/83/180154083.db2.gz NVEPHTQFPUHOLT-UHFFFAOYSA-N 1 0 259.309 2.387 10 0 CEAERO COc1ccc(C)cc1C[C@H](O)C[NH2+]CC(C)C ZINC000091465976 180163931 /nfs/dbraw/zinc/16/39/31/180163931.db2.gz MDICSQMKMVQHHE-AWEZNQCLSA-N 1 0 251.370 2.153 10 0 CEAERO C[NH2+]CC1CC(OCc2ccn(-c3ccccc3)n2)C1 ZINC000091471330 180164908 /nfs/dbraw/zinc/16/49/08/180164908.db2.gz PEWZWZFFCRAHGT-UHFFFAOYSA-N 1 0 271.364 2.387 10 0 CEAERO CN(CC1CC([NH3+])C1)C(=O)c1cccc2ncccc21 ZINC000091474701 180165795 /nfs/dbraw/zinc/16/57/95/180165795.db2.gz ASBAUXLKUSIQSO-UHFFFAOYSA-N 1 0 269.348 2.044 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(Cc2ccc(N)c3cccnc23)C1 ZINC000091391935 180144774 /nfs/dbraw/zinc/14/47/74/180144774.db2.gz FEBWGHXWTYWEMZ-CQSZACIVSA-N 1 0 284.407 2.343 10 0 CEAERO C[C@@H](C(=O)c1ccc(F)cc1)N1CCC[C@H]([NH+](C)C)C1 ZINC000091393196 180145695 /nfs/dbraw/zinc/14/56/95/180145695.db2.gz RUAYAZSTYFVZOI-WFASDCNBSA-N 1 0 278.371 2.423 10 0 CEAERO CS[C@H](C)C[NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000091403111 180147350 /nfs/dbraw/zinc/14/73/50/180147350.db2.gz LUJRGZZWOBQDOT-RKDXNWHRSA-N 1 0 265.382 2.258 10 0 CEAERO O=C(Nc1cc(C(F)(F)F)ccc1F)C1C[NH2+]C1 ZINC000091409012 180148396 /nfs/dbraw/zinc/14/83/96/180148396.db2.gz UNZRGGSBMWNPRD-UHFFFAOYSA-N 1 0 262.206 2.002 10 0 CEAERO CC(C)Oc1ccc(NC(=O)C2C[NH2+]C2)cc1Cl ZINC000091408866 180148483 /nfs/dbraw/zinc/14/84/83/180148483.db2.gz WDWDJRPXHXJGSM-UHFFFAOYSA-N 1 0 268.744 2.285 10 0 CEAERO CC(C)(C)c1nc2cc(NC(=O)C3C[NH2+]C3)ccc2[nH]1 ZINC000091410500 180148490 /nfs/dbraw/zinc/14/84/90/180148490.db2.gz IRPFQCFZKLEOQO-UHFFFAOYSA-N 1 0 272.352 2.018 10 0 CEAERO OC1CC(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000091416075 180149407 /nfs/dbraw/zinc/14/94/07/180149407.db2.gz OQJZTBGAEXAGQY-WYNUPADASA-N 1 0 251.292 2.468 10 0 CEAERO CC(C)[NH2+]Cc1cncc(-n2ncc3ccccc32)n1 ZINC000091422278 180151235 /nfs/dbraw/zinc/15/12/35/180151235.db2.gz ROYZBDVZISLHIL-UHFFFAOYSA-N 1 0 267.336 2.314 10 0 CEAERO CC[NH2+]Cc1cncc(-n2cc(-c3ccccc3)cn2)n1 ZINC000091422533 180151363 /nfs/dbraw/zinc/15/13/63/180151363.db2.gz DDYKZJMABCFKLA-UHFFFAOYSA-N 1 0 279.347 2.439 10 0 CEAERO CCc1nc(CC)n(-c2cncc(C[NH2+]C(C)(C)C)n2)n1 ZINC000091422605 180151494 /nfs/dbraw/zinc/15/14/94/180151494.db2.gz DGUQCYKKSOWVCZ-UHFFFAOYSA-N 1 0 288.399 2.070 10 0 CEAERO Cc1ccnc(N)c1[C@H](O)C(C)(C)[NH+]1CCCCC1 ZINC000091563945 180192709 /nfs/dbraw/zinc/19/27/09/180192709.db2.gz TWJMBNJKJOZERD-ZDUSSCGKSA-N 1 0 263.385 2.270 10 0 CEAERO CCn1cc([C@H](O)C(C)(C)[NH+]2CCCCC2)cn1 ZINC000091563987 180192938 /nfs/dbraw/zinc/19/29/38/180192938.db2.gz LIANBHHRGHLMJQ-ZDUSSCGKSA-N 1 0 251.374 2.201 10 0 CEAERO C[NH2+][C@H](c1cccnc1N)C(C)(C)N1CCCCC1 ZINC000091565008 180193209 /nfs/dbraw/zinc/19/32/09/180193209.db2.gz UVTXWOSDIBJBIV-CYBMUJFWSA-N 1 0 262.401 2.189 10 0 CEAERO CCN[C@H](c1nccn1C)C(C)(C)[NH+]1CCCCC1 ZINC000091565117 180193488 /nfs/dbraw/zinc/19/34/88/180193488.db2.gz SMXDZIGGXHZCTJ-CYBMUJFWSA-N 1 0 264.417 2.335 10 0 CEAERO CCCN1C(=O)C[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C1=O ZINC000105076614 186041285 /nfs/dbraw/zinc/04/12/85/186041285.db2.gz XBVHROHNTSWEID-MFKMUULPSA-N 1 0 278.327 2.014 10 0 CEAERO CC(C)([C@H]([NH3+])Cc1ccc(Cl)cc1)N1CCOCC1 ZINC000091566217 180193928 /nfs/dbraw/zinc/19/39/28/180193928.db2.gz ZMXJJBPFIRHOLA-CQSZACIVSA-N 1 0 282.815 2.321 10 0 CEAERO Cc1cc(F)ccc1[C@H]([NH3+])C(C)(C)N1CCOCC1 ZINC000091566315 180194059 /nfs/dbraw/zinc/19/40/59/180194059.db2.gz YPGRTGYXBBUFDT-AWEZNQCLSA-N 1 0 266.360 2.245 10 0 CEAERO C[NH2+][C@@H](CCc1ccsc1)C(C)(C)N1CCOCC1 ZINC000091566627 180194061 /nfs/dbraw/zinc/19/40/61/180194061.db2.gz MNFKFXVGZFWFCC-AWEZNQCLSA-N 1 0 282.453 2.380 10 0 CEAERO C[NH2+][C@@H](c1c(F)cccc1F)C(C)(C)N1CCOCC1 ZINC000091566555 180194100 /nfs/dbraw/zinc/19/41/00/180194100.db2.gz GFTHGPZTQYKQBE-AWEZNQCLSA-N 1 0 284.350 2.336 10 0 CEAERO C[NH2+][C@@H](Cc1cc(F)ccc1F)C(C)(C)N1CCOCC1 ZINC000091566611 180194168 /nfs/dbraw/zinc/19/41/68/180194168.db2.gz VUFWPKDVIQVTEU-HNNXBMFYSA-N 1 0 298.377 2.206 10 0 CEAERO CCC[NH2+][C@H](c1ccoc1)C(C)(C)N1CCOCC1 ZINC000091567189 180194683 /nfs/dbraw/zinc/19/46/83/180194683.db2.gz DPPJAJSXIZRRLH-CQSZACIVSA-N 1 0 266.385 2.431 10 0 CEAERO CC[NH2+][C@@H](CCC1CC1)C(C)(C)N1CCOCC1 ZINC000091566946 180194897 /nfs/dbraw/zinc/19/48/97/180194897.db2.gz OWKXVBVATAXRDN-AWEZNQCLSA-N 1 0 254.418 2.266 10 0 CEAERO CC[NH2+][C@H](c1ccccc1OC)C(C)(C)N1CCOCC1 ZINC000091566807 180195149 /nfs/dbraw/zinc/19/51/49/180195149.db2.gz NRONQYLMUIIUMZ-MRXNPFEDSA-N 1 0 292.423 2.457 10 0 CEAERO CC[NH2+][C@H](c1ccnn1CC)[C@@](C)(CC)N(C)C ZINC000091571049 180195443 /nfs/dbraw/zinc/19/54/43/180195443.db2.gz XCODAOCTKQNOOT-ZIAGYGMSSA-N 1 0 252.406 2.284 10 0 CEAERO CC[C@](C)([C@H](Cc1ccn(C(C)C)n1)[NH2+]C)N(C)C ZINC000091570795 180195787 /nfs/dbraw/zinc/19/57/87/180195787.db2.gz CEUVTGNZCHGPPS-LSDHHAIUSA-N 1 0 266.433 2.325 10 0 CEAERO O=C(NCc1cccc(F)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105107782 186041798 /nfs/dbraw/zinc/04/17/98/186041798.db2.gz CJEQCUFFZJFTOL-OAHLLOKOSA-N 1 0 291.370 2.205 10 0 CEAERO CCCN1C(=O)C[C@H]([NH2+][C@@H](CC)c2cccs2)C1=O ZINC000105088484 186041804 /nfs/dbraw/zinc/04/18/04/186041804.db2.gz NQHINBPESFWIFC-QWRGUYRKSA-N 1 0 280.393 2.326 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccnc(N)c1)[C@](C)(CC)N(C)C ZINC000091571754 180196063 /nfs/dbraw/zinc/19/60/63/180196063.db2.gz QIIRGBCTOGAUQA-HOCLYGCPSA-N 1 0 278.444 2.305 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@@H](O)Cc1cc(C)nn1C ZINC000091573047 180196178 /nfs/dbraw/zinc/19/61/78/180196178.db2.gz ZDFUWBRKUBEJSS-LSDHHAIUSA-N 1 0 267.417 2.142 10 0 CEAERO CCn1ccnc1[C@H](O)[C@](C)(CC)[NH+](CC)CC ZINC000091572862 180196248 /nfs/dbraw/zinc/19/62/48/180196248.db2.gz QLEXTXNCLQRNPU-JSGCOSHPSA-N 1 0 253.390 2.447 10 0 CEAERO CC[NH2+][C@H](c1cccnc1N)[C@@](C)(CC)N(C)C ZINC000091571633 180196265 /nfs/dbraw/zinc/19/62/65/180196265.db2.gz YNGSSRXCPNAAAU-TZMCWYRMSA-N 1 0 250.390 2.045 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@H](O)Cc1ncnn1CC(C)C ZINC000091573132 180196673 /nfs/dbraw/zinc/19/66/73/180196673.db2.gz ONJCAZXOZVDOLD-ZBFHGGJFSA-N 1 0 296.459 2.348 10 0 CEAERO CCC[NH2+][C@@H](c1cnccn1)[C@@](C)(CC)N(C)C ZINC000091571780 180196717 /nfs/dbraw/zinc/19/67/17/180196717.db2.gz QTZLKZYICBQNLU-UONOGXRCSA-N 1 0 250.390 2.248 10 0 CEAERO CCN(CC)[C@@](C)(CC)[C@@H](Cc1ccnc(N)c1)[NH2+]C ZINC000091599124 180202711 /nfs/dbraw/zinc/20/27/11/180202711.db2.gz ATAHKMMZECLDBV-ZBFHGGJFSA-N 1 0 278.444 2.305 10 0 CEAERO CC[C@](C)(C(=O)Cc1cccnc1N)[NH+]1CCCC1 ZINC000091602129 180203172 /nfs/dbraw/zinc/20/31/72/180203172.db2.gz UEGXTBPHXFNOPN-OAHLLOKOSA-N 1 0 261.369 2.040 10 0 CEAERO CCCn1ncnc1C[C@H]([NH2+]C)[C@@](C)(CC)N1CCCC1 ZINC000091606869 180204635 /nfs/dbraw/zinc/20/46/35/180204635.db2.gz RYKOOCJYUZPBTO-GOEBONIOSA-N 1 0 293.459 2.083 10 0 CEAERO CC[C@@](C)([C@H](N)c1ccnn1C)[NH+]1CCCCC1 ZINC000091609273 180204989 /nfs/dbraw/zinc/20/49/89/180204989.db2.gz KPMGTGXLHXIGMV-KGLIPLIRSA-N 1 0 250.390 2.075 10 0 CEAERO CC[C@@](C)([C@@H](O)Cc1cccc(F)c1)[NH+]1CCOCC1 ZINC000091610983 180205152 /nfs/dbraw/zinc/20/51/52/180205152.db2.gz FSWFRXPJNBMBMH-HOTGVXAUSA-N 1 0 281.371 2.230 10 0 CEAERO CC[C@@](C)([C@H]([NH3+])CC1CCCC1)N1CCOCC1 ZINC000091611609 180206141 /nfs/dbraw/zinc/20/61/41/180206141.db2.gz WLNAXGONAZTIPD-CABCVRRESA-N 1 0 254.418 2.395 10 0 CEAERO CC[C@@](C)([C@H](O)Cc1cccs1)[NH+]1CCOCC1 ZINC000091611353 180206159 /nfs/dbraw/zinc/20/61/59/180206159.db2.gz WVLFBFJYGXXAQK-KGLIPLIRSA-N 1 0 269.410 2.152 10 0 CEAERO CC[C@](C)([C@H]([NH3+])c1cc(F)cc(F)c1)N1CCOCC1 ZINC000091611922 180206244 /nfs/dbraw/zinc/20/62/44/180206244.db2.gz AHMLPUMDAANFFD-HUUCEWRRSA-N 1 0 284.350 2.466 10 0 CEAERO CC[C@@](C)([C@H]([NH3+])Cc1ccc(F)cc1F)N1CCOCC1 ZINC000091612077 180206982 /nfs/dbraw/zinc/20/69/82/180206982.db2.gz JQNIMNQFIWECCZ-CVEARBPZSA-N 1 0 298.377 2.336 10 0 CEAERO CC[C@@](C)([C@@H]([NH3+])Cc1cccc(OC)c1)N1CCOCC1 ZINC000091612031 180207206 /nfs/dbraw/zinc/20/72/06/180207206.db2.gz KPRPNJFAFLYZBS-IRXDYDNUSA-N 1 0 292.423 2.066 10 0 CEAERO CC[C@](C)([C@@H](CCC1CC1)[NH2+]C)N1CCOCC1 ZINC000091612546 180207335 /nfs/dbraw/zinc/20/73/35/180207335.db2.gz SBLVMAQGDCSSRW-HUUCEWRRSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@](C)([C@H]([NH3+])Cc1ccc(F)cc1F)N1CCOCC1 ZINC000091612078 180207545 /nfs/dbraw/zinc/20/75/45/180207545.db2.gz JQNIMNQFIWECCZ-HZPDHXFCSA-N 1 0 298.377 2.336 10 0 CEAERO CCCn1nccc1[C@H](O)C(CC)(CC)[NH+](C)C ZINC000091613709 180207842 /nfs/dbraw/zinc/20/78/42/180207842.db2.gz WNJYIWDGKZOCCV-ZDUSSCGKSA-N 1 0 253.390 2.447 10 0 CEAERO CC[NH+](CC)C(CC)(CC)[C@H](N)c1cnn(C)c1 ZINC000091615961 180208104 /nfs/dbraw/zinc/20/81/04/180208104.db2.gz HHAPCEFBWXQLLQ-CYBMUJFWSA-N 1 0 252.406 2.321 10 0 CEAERO CCn1nc(C)cc1C[C@](C)(O)CC[NH2+]C(C)(C)C ZINC000091522260 180178017 /nfs/dbraw/zinc/17/80/17/180178017.db2.gz PGRSOHIYYPUTTF-OAHLLOKOSA-N 1 0 267.417 2.283 10 0 CEAERO Cc1nn(C)c(C[C@](C)(O)CC[NH2+]C(C)(C)C)c1Cl ZINC000091522254 180178189 /nfs/dbraw/zinc/17/81/89/180178189.db2.gz FSPACNWGSMYGKK-CQSZACIVSA-N 1 0 287.835 2.454 10 0 CEAERO COCC[NH2+]CC[C@](C)(O)CCc1cccs1 ZINC000091522698 180178312 /nfs/dbraw/zinc/17/83/12/180178312.db2.gz TYXAFCGAKOGKJH-CYBMUJFWSA-N 1 0 257.399 2.058 10 0 CEAERO CC(C)c1ccc([C@@H](O)C[NH2+]CC2CC(O)C2)cc1 ZINC000091525500 180178874 /nfs/dbraw/zinc/17/88/74/180178874.db2.gz DJPZBVKDQKXSRX-MOQPWLNLSA-N 1 0 263.381 2.204 10 0 CEAERO CC[C@H]([NH2+]CC1CC(O)C1)c1ccc2c(c1)CCO2 ZINC000091525596 180178991 /nfs/dbraw/zinc/17/89/91/180178991.db2.gz WBIIUQQUDHILCW-KWCHVYNWSA-N 1 0 261.365 2.433 10 0 CEAERO COc1ccc(C)cc1C[C@@H](O)C(C)(C)[NH+](C)C ZINC000091528156 180179470 /nfs/dbraw/zinc/17/94/70/180179470.db2.gz UMEPJHZMUIOPIP-CQSZACIVSA-N 1 0 251.370 2.247 10 0 CEAERO CC[NH2+][C@@H](c1ccnn1C)C(C)(C)N(CC)CC ZINC000091531580 180180822 /nfs/dbraw/zinc/18/08/22/180180822.db2.gz DPLUJHJKKRADHH-ZDUSSCGKSA-N 1 0 252.406 2.191 10 0 CEAERO Cc1nc2cc(NC(=O)[C@@H]3CC[C@H]([NH3+])C3)ccc2o1 ZINC000091539612 180183282 /nfs/dbraw/zinc/18/32/82/180183282.db2.gz CEDCNEKYTXHFKY-ZJUUUORDSA-N 1 0 259.309 2.202 10 0 CEAERO CSc1ccc(CN(C)C(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000091541245 180183795 /nfs/dbraw/zinc/18/37/95/180183795.db2.gz FYLASYDTJVPVOU-OLZOCXBDSA-N 1 0 278.421 2.494 10 0 CEAERO Cc1cc(-c2nnco2)ccc1NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091542121 180184472 /nfs/dbraw/zinc/18/44/72/180184472.db2.gz MBPOHGXSMCLJHE-ZYHUDNBSSA-N 1 0 286.335 2.111 10 0 CEAERO CCOc1cc(F)ccc1NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091544062 180184955 /nfs/dbraw/zinc/18/49/55/180184955.db2.gz MOQNOBTUEISQLR-KOLCDFICSA-N 1 0 266.316 2.290 10 0 CEAERO [NH3+][C@@H]1CC[C@H](C(=O)Nc2cc(F)cc(F)c2F)C1 ZINC000091546042 180187197 /nfs/dbraw/zinc/18/71/97/180187197.db2.gz VLPNWLOOFXPJGZ-POYBYMJQSA-N 1 0 258.243 2.170 10 0 CEAERO [NH3+][C@@H]1CC[C@H](C(=O)N(Cc2ccsc2)C2CC2)C1 ZINC000091549057 180188123 /nfs/dbraw/zinc/18/81/23/180188123.db2.gz NAHUMFHZWDWBSC-NWDGAFQWSA-N 1 0 264.394 2.367 10 0 CEAERO [NH3+][C@H]1CC[C@@H](C(=O)N2CCC3(CCCC3)CC2)C1 ZINC000091549128 180188413 /nfs/dbraw/zinc/18/84/13/180188413.db2.gz QBIDAKVHWQCRKQ-OLZOCXBDSA-N 1 0 250.386 2.297 10 0 CEAERO CCC(CC)([C@@H](O)C1CCOCC1)[NH+]1CCCC1 ZINC000091634347 180210014 /nfs/dbraw/zinc/21/00/14/180210014.db2.gz LSIBTTZIALVBQU-AWEZNQCLSA-N 1 0 255.402 2.429 10 0 CEAERO C[NH2+][C@H](c1c(C)ccnc1N)C1(N(C)C)CCCC1 ZINC000091637580 180212061 /nfs/dbraw/zinc/21/20/61/180212061.db2.gz MRNJJCQBLBUCNH-CYBMUJFWSA-N 1 0 262.401 2.107 10 0 CEAERO CC[NH+](CC)C1([C@@H](O)c2ccnn2C)CCCC1 ZINC000091639027 180212082 /nfs/dbraw/zinc/21/20/82/180212082.db2.gz NOVWDBIKOXQNQQ-ZDUSSCGKSA-N 1 0 251.374 2.108 10 0 CEAERO CCC[NH2+][C@@H](c1ccnn1C)C1(N(C)C)CCCC1 ZINC000091638399 180212670 /nfs/dbraw/zinc/21/26/70/180212670.db2.gz ASBKQRRXTDTIAB-AWEZNQCLSA-N 1 0 264.417 2.335 10 0 CEAERO C[NH2+][C@@H](Cc1csc(C)n1)C1(N(C)C)CCCC1 ZINC000091637715 180212714 /nfs/dbraw/zinc/21/27/14/180212714.db2.gz FLJHNICXYWHULV-ZDUSSCGKSA-N 1 0 267.442 2.456 10 0 CEAERO CCN[C@@H](c1cnn(C)c1)C1([NH+]2CCCC2)CCCC1 ZINC000091641197 180213430 /nfs/dbraw/zinc/21/34/30/180213430.db2.gz WILYBAZELZQLHU-HNNXBMFYSA-N 1 0 276.428 2.479 10 0 CEAERO N[C@@H]([C@H]1CCOC1)C1([NH+]2CCCCC2)CCCC1 ZINC000091641835 180213442 /nfs/dbraw/zinc/21/34/42/180213442.db2.gz DLISJRKMHDDZHO-KBPBESRZSA-N 1 0 252.402 2.149 10 0 CEAERO Cn1ccnc1[C@H](O)C1([NH+]2CCCCC2)CCCC1 ZINC000091641744 180213521 /nfs/dbraw/zinc/21/35/21/180213521.db2.gz BKPUZYPWYACSDN-ZDUSSCGKSA-N 1 0 263.385 2.252 10 0 CEAERO Cc1ccc(C)c2c(=O)cc(CN3CCC[C@@H]([NH3+])CC3)[nH]c12 ZINC000091644627 180214740 /nfs/dbraw/zinc/21/47/40/180214740.db2.gz LECGQFVKSDGIFZ-CQSZACIVSA-N 1 0 299.418 2.458 10 0 CEAERO CCc1cc(C[C@H](N)C2([NH+](C)C)CCCCC2)n(C)n1 ZINC000091647208 180215262 /nfs/dbraw/zinc/21/52/62/180215262.db2.gz CARVDYWSDGVREH-HNNXBMFYSA-N 1 0 278.444 2.117 10 0 CEAERO CC[NH2+][C@H](CC1CC1)C1(N2CCOCC2)CCCC1 ZINC000091646276 180215533 /nfs/dbraw/zinc/21/55/33/180215533.db2.gz NAEALUXIMKMGTC-OAHLLOKOSA-N 1 0 266.429 2.410 10 0 CEAERO CC[NH2+][C@@H](c1cncnc1)C1(N(C)C)CCCCC1 ZINC000091647756 180215594 /nfs/dbraw/zinc/21/55/94/180215594.db2.gz RDZDGNUTBQEYPT-AWEZNQCLSA-N 1 0 262.401 2.392 10 0 CEAERO CCc1cc(CC(=O)C2([NH+](C)C)CCCCC2)n(C)n1 ZINC000091646519 180215701 /nfs/dbraw/zinc/21/57/01/180215701.db2.gz TVXFLZQZBZGHPL-UHFFFAOYSA-N 1 0 277.412 2.359 10 0 CEAERO CC(C)Cn1ncnc1C[C@H](O)C1([NH+](C)C)CCCCC1 ZINC000091646821 180215804 /nfs/dbraw/zinc/21/58/04/180215804.db2.gz SHDLSEIBRMNRRG-AWEZNQCLSA-N 1 0 294.443 2.102 10 0 CEAERO C[C@H]1CCC[C@@](C(=O)c2cccnc2N)([NH+](C)C)C1 ZINC000091649640 180216038 /nfs/dbraw/zinc/21/60/38/180216038.db2.gz GZYPGEDAYURBLC-XHDPSFHLSA-N 1 0 261.369 2.357 10 0 CEAERO C[C@H]1CCC[C@@](C(=O)c2cnccc2N)([NH+](C)C)C1 ZINC000091650577 180216093 /nfs/dbraw/zinc/21/60/93/180216093.db2.gz XIAMZCLSZUMHKK-XHDPSFHLSA-N 1 0 261.369 2.357 10 0 CEAERO Cc1cc(C[C@H](N)[C@]2([NH+](C)C)CCC[C@H](C)C2)n(C)n1 ZINC000091652232 180216792 /nfs/dbraw/zinc/21/67/92/180216792.db2.gz JYUYFORMFOHAOB-RCBQFDQVSA-N 1 0 278.444 2.109 10 0 CEAERO Cn1ccnc1[C@@H](O)C1([NH+](C)C)CCCCCC1 ZINC000091653967 180217465 /nfs/dbraw/zinc/21/74/65/180217465.db2.gz OGKVGZLWVTUAEJ-GFCCVEGCSA-N 1 0 251.374 2.108 10 0 CEAERO C[C@H](NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1c(F)cccc1F ZINC000091662318 180220084 /nfs/dbraw/zinc/22/00/84/180220084.db2.gz JOEITTKJMWLXDT-YNEHKIRRSA-N 1 0 296.361 2.479 10 0 CEAERO CN(C)Cc1noc([C@@H]2CC[C@H]3CCCC[C@@H]3[NH2+]2)n1 ZINC000091685488 180226202 /nfs/dbraw/zinc/22/62/02/180226202.db2.gz RKQMFOQHFBJFLL-WOPDTQHZSA-N 1 0 264.373 2.115 10 0 CEAERO CC(C)Oc1ccc([C@H](O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000091715662 180232411 /nfs/dbraw/zinc/23/24/11/180232411.db2.gz OAAWUDHOAAJZPI-PVAVHDDUSA-N 1 0 291.391 2.370 10 0 CEAERO CC[NH2+][C@@H](c1ccc(CC)cc1)[C@H]1CN(C)CCO1 ZINC000091718748 180233242 /nfs/dbraw/zinc/23/32/42/180233242.db2.gz KMNGULFQECHFDE-CVEARBPZSA-N 1 0 262.397 2.230 10 0 CEAERO CCC[NH2+][C@H](c1ccc(F)cc1F)[C@H]1CN(C)CCO1 ZINC000091718985 180233305 /nfs/dbraw/zinc/23/33/05/180233305.db2.gz PZNGWMKODIIVAU-HUUCEWRRSA-N 1 0 284.350 2.336 10 0 CEAERO C[NH2+][C@@H](Cc1csc2ccccc12)[C@@H]1CN(C)CCO1 ZINC000091718166 180233555 /nfs/dbraw/zinc/23/35/55/180233555.db2.gz RALNDPPQFUMKRW-GJZGRUSLSA-N 1 0 290.432 2.362 10 0 CEAERO CCC[NH2+][C@@H](c1cc(F)cc(F)c1)[C@@H]1CN(C)CCO1 ZINC000091719278 180234395 /nfs/dbraw/zinc/23/43/95/180234395.db2.gz BXENFVHRBAJWAJ-GJZGRUSLSA-N 1 0 284.350 2.336 10 0 CEAERO Cc1cccc([C@H]([NH3+])[C@H]2CN3CCC[C@@H]3CO2)c1C ZINC000091720659 180235376 /nfs/dbraw/zinc/23/53/76/180235376.db2.gz NOIYTHHQMXOFBE-BMFZPTHFSA-N 1 0 260.381 2.166 10 0 CEAERO C[NH2+][C@H](CC1CCCC1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091720920 180236200 /nfs/dbraw/zinc/23/62/00/180236200.db2.gz ZHYNHASXTKXQSJ-RBSFLKMASA-N 1 0 252.402 2.018 10 0 CEAERO CCCc1ccc([C@H](C)[NH2+][C@H]2CCOC[C@H]2O)cc1 ZINC000624234978 350238480 /nfs/dbraw/zinc/23/84/80/350238480.db2.gz AGYCNMOYECCRGG-VBNZEHGJSA-N 1 0 263.381 2.440 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1cccc(Cl)c1 ZINC000624235620 350239273 /nfs/dbraw/zinc/23/92/73/350239273.db2.gz NHEVPWXRSYXEHK-BIMULSAOSA-N 1 0 255.745 2.140 10 0 CEAERO C[C@@H]1CC[C@H]([NH2+][C@H]2CCOC[C@@H]2O)c2ccccc21 ZINC000624236667 350240105 /nfs/dbraw/zinc/24/01/05/350240105.db2.gz HPUNIMXHCRPQPQ-MEYUZBJRSA-N 1 0 261.365 2.364 10 0 CEAERO C[C@H]1C[C@H]([NH2+][C@H]2CCOC[C@H]2O)c2ccsc2S1 ZINC000624236926 350240265 /nfs/dbraw/zinc/24/02/65/350240265.db2.gz MUTBEKIUWVWQTH-PDEGPIFNSA-N 1 0 285.434 2.413 10 0 CEAERO O=c1cc(C[NH2+][C@@H]2CCSC2)[nH]c2ccc(F)cc12 ZINC000091625351 180209408 /nfs/dbraw/zinc/20/94/08/180209408.db2.gz CNXZDISIXGFELC-SNVBAGLBSA-N 1 0 278.352 2.262 10 0 CEAERO CCc1ccc([C@@H]([NH2+]C)c2ccc3[nH]c(=O)[nH]c3c2)o1 ZINC000091760310 180247696 /nfs/dbraw/zinc/24/76/96/180247696.db2.gz IMZONEYQOGTDER-AWEZNQCLSA-N 1 0 271.320 2.320 10 0 CEAERO CCc1ccc(C(=O)N(CC)[C@@H]2CCC[NH2+]C2)o1 ZINC000091759726 180247716 /nfs/dbraw/zinc/24/77/16/180247716.db2.gz UXCBCWRCBXAOBF-LLVKDONJSA-N 1 0 250.342 2.056 10 0 CEAERO CCCn1ncnc1Cn1cccc1[C@H](C)[NH2+]CC ZINC000091802022 180259373 /nfs/dbraw/zinc/25/93/73/180259373.db2.gz JLPNHCSWYYIAAI-LBPRGKRZSA-N 1 0 261.373 2.208 10 0 CEAERO CCc1ccc(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)o1 ZINC000091762628 180248544 /nfs/dbraw/zinc/24/85/44/180248544.db2.gz LZYWNAPSHOIFJB-CQSZACIVSA-N 1 0 276.380 2.446 10 0 CEAERO CCc1ccc(C(=O)N[C@@]2(C[NH3+])CCC[C@H](C)C2)o1 ZINC000091777317 180251721 /nfs/dbraw/zinc/25/17/21/180251721.db2.gz SHGLISWPFGWGTP-NHYWBVRUSA-N 1 0 264.369 2.479 10 0 CEAERO [NH3+]C1CCC(C(=O)NCCc2cc(F)cc(F)c2)CC1 ZINC000060718865 539780325 /nfs/dbraw/zinc/78/03/25/539780325.db2.gz WJPIWMLLXDGCCM-UHFFFAOYSA-N 1 0 282.334 2.141 10 0 CEAERO C[C@@H]([NH3+])c1cccn1CCCOCC(F)(F)F ZINC000091799784 180258422 /nfs/dbraw/zinc/25/84/22/180258422.db2.gz VUBDDOJTGCMXJK-SECBINFHSA-N 1 0 250.264 2.477 10 0 CEAERO CCCC1(C(=O)Nn2c(C)ccc2C)CC[NH2+]CC1 ZINC000091795874 180258520 /nfs/dbraw/zinc/25/85/20/180258520.db2.gz OLBKODOVOXDULI-UHFFFAOYSA-N 1 0 263.385 2.345 10 0 CEAERO O[C@@H]1CCCc2nc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)sc21 ZINC000091722622 180240790 /nfs/dbraw/zinc/24/07/90/180240790.db2.gz DSEUGMJKCUXHSV-YUSALJHKSA-N 1 0 280.393 2.049 10 0 CEAERO C[NH2+][C@@H]1CC(C)(C)Cc2nc([C@H]3CN(C)CCO3)sc21 ZINC000091722479 180240914 /nfs/dbraw/zinc/24/09/14/180240914.db2.gz ODXJTMRVRMZTBP-ZYHUDNBSSA-N 1 0 295.452 2.379 10 0 CEAERO O[C@H](CN[C@@H]1CCc2ccc(F)cc21)C[NH+]1CCCCC1 ZINC000151302154 539781237 /nfs/dbraw/zinc/78/12/37/539781237.db2.gz VKKODQWSFMSBFS-NVXWUHKLSA-N 1 0 292.398 2.249 10 0 CEAERO CCC[NH2+][C@H](c1ccoc1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091722289 180241086 /nfs/dbraw/zinc/24/10/86/180241086.db2.gz PZUNBHYOFWHHGN-QLFBSQMISA-N 1 0 264.369 2.184 10 0 CEAERO CN1CCO[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2)C1 ZINC000105470790 186058931 /nfs/dbraw/zinc/05/89/31/186058931.db2.gz PRYOGBKJCVIMMQ-CYBMUJFWSA-N 1 0 289.206 2.414 10 0 CEAERO CCCN(C(=O)Cn1nc(C)cc1C)C1CCC([NH3+])CC1 ZINC000091851948 180272913 /nfs/dbraw/zinc/27/29/13/180272913.db2.gz RURJRHOTEZJPLG-UHFFFAOYSA-N 1 0 292.427 2.008 10 0 CEAERO CCN(c1ccc(Cl)nn1)C1CCC([NH3+])CC1 ZINC000091851290 180273145 /nfs/dbraw/zinc/27/31/45/180273145.db2.gz HCMZFRUXTZAOGJ-UHFFFAOYSA-N 1 0 254.765 2.226 10 0 CEAERO C[NH2+][C@@H](C)c1ccn(Cc2cn3ccccc3n2)c1 ZINC000091804411 180259934 /nfs/dbraw/zinc/25/99/34/180259934.db2.gz IHAXYVVGVYBTRE-LBPRGKRZSA-N 1 0 254.337 2.465 10 0 CEAERO CCC[NH2+][C@H](C)c1cccn1CCC(=O)NCC ZINC000091802814 180260052 /nfs/dbraw/zinc/26/00/52/180260052.db2.gz JBGZEEJMXOFHON-GFCCVEGCSA-N 1 0 251.374 2.075 10 0 CEAERO C[C@H]([NH3+])c1ccn(CC(=O)Nc2ccccc2F)c1 ZINC000091803552 180260093 /nfs/dbraw/zinc/26/00/93/180260093.db2.gz ABUXPAHTIRLJPH-JTQLQIEISA-N 1 0 261.300 2.286 10 0 CEAERO CCC[NH2+][C@H](C)c1ccn(CCC(=O)NC(C)C)c1 ZINC000091805855 180260558 /nfs/dbraw/zinc/26/05/58/180260558.db2.gz COZOTQONYVKPRJ-CYBMUJFWSA-N 1 0 265.401 2.463 10 0 CEAERO CC[NH2+][C@H](CC)c1ccn(CC(=O)N[C@@H](C)CC)c1 ZINC000091817122 180262647 /nfs/dbraw/zinc/26/26/47/180262647.db2.gz WJNFITXGDHRGLR-GXTWGEPZSA-N 1 0 265.401 2.463 10 0 CEAERO CCC[C@@H]([NH2+]C)c1ccn(CCCS(=O)(=O)CC)c1 ZINC000091822545 180263833 /nfs/dbraw/zinc/26/38/33/180263833.db2.gz FPYXBGZMOZUIOJ-CQSZACIVSA-N 1 0 286.441 2.374 10 0 CEAERO CCC[C@H]([NH2+]CC)c1ccn(CCCS(C)(=O)=O)c1 ZINC000091822651 180263842 /nfs/dbraw/zinc/26/38/42/180263842.db2.gz DGKPEHJSMXDOLF-AWEZNQCLSA-N 1 0 286.441 2.374 10 0 CEAERO CCC[NH2+][C@@H](CCC)c1ccn(CC(=O)N(C)C)c1 ZINC000091823388 180264066 /nfs/dbraw/zinc/26/40/66/180264066.db2.gz MJECQNGZOGPTEH-AWEZNQCLSA-N 1 0 265.401 2.417 10 0 CEAERO CCC[NH2+][C@H](CCC)c1ccn(CCOCCO)c1 ZINC000091823934 180264147 /nfs/dbraw/zinc/26/41/47/180264147.db2.gz GAFURWZRNIWCNF-OAHLLOKOSA-N 1 0 268.401 2.338 10 0 CEAERO CCC[C@H]([NH2+]CC)c1ccn(CCC(=O)NCC)c1 ZINC000091823011 180264198 /nfs/dbraw/zinc/26/41/98/180264198.db2.gz KQOBLUJRVSQPDN-AWEZNQCLSA-N 1 0 265.401 2.465 10 0 CEAERO CCCCNC(=O)Cn1ccc([C@@H]([NH2+]C)C(C)C)c1 ZINC000091826847 180265188 /nfs/dbraw/zinc/26/51/88/180265188.db2.gz RMLNAABWODGPHC-HNNXBMFYSA-N 1 0 265.401 2.321 10 0 CEAERO C[NH2+][C@H](c1ccn(CCOCCOC)c1)C(C)C ZINC000091826767 180265273 /nfs/dbraw/zinc/26/52/73/180265273.db2.gz YCGJKOGGHLMUFE-AWEZNQCLSA-N 1 0 254.374 2.068 10 0 CEAERO CN(c1ncnc2sccc21)C1CCC([NH3+])CC1 ZINC000091849542 180270905 /nfs/dbraw/zinc/27/09/05/180270905.db2.gz PEZHSAAWQUIWAX-UHFFFAOYSA-N 1 0 262.382 2.397 10 0 CEAERO CCN(C(=O)c1ccc(Cl)cn1)C1CCC([NH3+])CC1 ZINC000091850220 180272188 /nfs/dbraw/zinc/27/21/88/180272188.db2.gz UDULECOMEXNUNP-UHFFFAOYSA-N 1 0 281.787 2.467 10 0 CEAERO Cc1ccc2nc(CN3CCC[NH2+]CC3)sc2c1 ZINC000091932750 180288403 /nfs/dbraw/zinc/28/84/03/180288403.db2.gz DVMUQTRQNCKDNZ-UHFFFAOYSA-N 1 0 261.394 2.400 10 0 CEAERO CCN(C(=O)N1CCCCC1)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000091969551 180294950 /nfs/dbraw/zinc/29/49/50/180294950.db2.gz SPNLCJPZVVNOEL-UONOGXRCSA-N 1 0 267.417 2.432 10 0 CEAERO CCC[NH2+][C@@H](C)c1csc(NC(=O)N(C)C)n1 ZINC000091960694 180292039 /nfs/dbraw/zinc/29/20/39/180292039.db2.gz NDBCPNDJCGRIIO-QMMMGPOBSA-N 1 0 256.375 2.297 10 0 CEAERO CCC[NH2+]Cc1ncoc1-c1ccc(S(C)(=O)=O)cc1 ZINC000091958175 180292758 /nfs/dbraw/zinc/29/27/58/180292758.db2.gz VXWLHVWYTOFNIX-UHFFFAOYSA-N 1 0 294.376 2.245 10 0 CEAERO [NH3+]CCCN(C(=O)N1CCCC1)c1cccc(F)c1 ZINC000091962953 180293129 /nfs/dbraw/zinc/29/31/29/180293129.db2.gz NCPHUHWRWJZMOV-UHFFFAOYSA-N 1 0 265.332 2.197 10 0 CEAERO C[NH2+]C1CCC(NC(=O)c2cccn2C2CC2)CC1 ZINC000091871758 180277932 /nfs/dbraw/zinc/27/79/32/180277932.db2.gz PWIAOZXHSMZUFP-UHFFFAOYSA-N 1 0 261.369 2.083 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)[C@H]2CC=CCC2)CC1 ZINC000091872268 180278010 /nfs/dbraw/zinc/27/80/10/180278010.db2.gz LIHLVXRTGBOEAS-HSBZDZAISA-N 1 0 250.386 2.332 10 0 CEAERO CN(CCC1CC[NH2+]CC1)C(=O)N1CCCCCC1 ZINC000091971203 180294919 /nfs/dbraw/zinc/29/49/19/180294919.db2.gz ICWPOYJSCNAUNE-UHFFFAOYSA-N 1 0 267.417 2.304 10 0 CEAERO COCC[C@](C)(O)[C@]1(C[NH3+])CCCc2ccccc21 ZINC000091906711 180283762 /nfs/dbraw/zinc/28/37/62/180283762.db2.gz WKSHKNMKDXEJBO-HOTGVXAUSA-N 1 0 263.381 2.007 10 0 CEAERO CCC[NH2+]C1CCN(C(=O)N2CCCCC2)CC1 ZINC000091968856 180294749 /nfs/dbraw/zinc/29/47/49/180294749.db2.gz KQGFONBAXYJDDI-UHFFFAOYSA-N 1 0 253.390 2.056 10 0 CEAERO [NH3+]C[C@]1([C@H](O)c2ccsc2)CCOc2ccccc21 ZINC000091909749 180284570 /nfs/dbraw/zinc/28/45/70/180284570.db2.gz DMINDVDLGNTOJE-HUUCEWRRSA-N 1 0 275.373 2.461 10 0 CEAERO [NH3+]C[C@]1([C@H](O)c2ccncc2)CCc2ccccc2C1 ZINC000091909576 180284668 /nfs/dbraw/zinc/28/46/68/180284668.db2.gz VTLFSAWXEXBMCP-SJORKVTESA-N 1 0 268.360 2.249 10 0 CEAERO [NH3+]C[C@@]1([C@@H](O)c2ccsc2)CCOc2ccccc21 ZINC000091909752 180284816 /nfs/dbraw/zinc/28/48/16/180284816.db2.gz DMINDVDLGNTOJE-GJZGRUSLSA-N 1 0 275.373 2.461 10 0 CEAERO [NH3+]CC1([C@@H](O)c2ccc3c(c2)OCCO3)CCCC1 ZINC000091909275 180284897 /nfs/dbraw/zinc/28/48/97/180284897.db2.gz XSLSLFBASOEIFR-AWEZNQCLSA-N 1 0 263.337 2.010 10 0 CEAERO [NH3+]C[C@]1([C@@H](O)c2cccc(F)c2)COc2ccccc2C1 ZINC000091910835 180285053 /nfs/dbraw/zinc/28/50/53/180285053.db2.gz DDGYQCRWLMKVIV-IRXDYDNUSA-N 1 0 287.334 2.439 10 0 CEAERO CCC(CC)[C@H](O)[C@]1(C[NH3+])CCOc2ccccc21 ZINC000091911263 180285179 /nfs/dbraw/zinc/28/51/79/180285179.db2.gz NETSWHVAHOWGME-HOTGVXAUSA-N 1 0 263.381 2.463 10 0 CEAERO [NH3+]CC1([C@@H](O)[C@H]2CC=CCC2)Cc2ccccc2C1 ZINC000091913903 180285392 /nfs/dbraw/zinc/28/53/92/180285392.db2.gz UMKMRCVPALBKMK-BBRMVZONSA-N 1 0 257.377 2.448 10 0 CEAERO CC1(C)Cc2cccc([C@@H](O)C3(C[NH3+])CCOCC3)c2O1 ZINC000091920159 180286611 /nfs/dbraw/zinc/28/66/11/180286611.db2.gz IFZKDYQDDVSLRI-OAHLLOKOSA-N 1 0 291.391 2.189 10 0 CEAERO Cc1ccsc1[C@@](C)(O)C1(C[NH3+])CCOCC1 ZINC000091918304 180286884 /nfs/dbraw/zinc/28/68/84/180286884.db2.gz SRQNFGCAHICKTA-GFCCVEGCSA-N 1 0 255.383 2.020 10 0 CEAERO CC[C@@H]([NH3+])c1ccccc1OC[C@H]1CN(CC)CCO1 ZINC000092050982 180311951 /nfs/dbraw/zinc/31/19/51/180311951.db2.gz VXPATPZEECWHQZ-UKRRQHHQSA-N 1 0 278.396 2.196 10 0 CEAERO CC(C)C[NH2+]Cc1ccccc1OC[C@@H]1CN(C)CCO1 ZINC000092054516 180313987 /nfs/dbraw/zinc/31/39/87/180313987.db2.gz WIAXHGKTLHIAMK-INIZCTEOSA-N 1 0 292.423 2.142 10 0 CEAERO O=C(N1CCC[C@H]1C1CC[NH2+]CC1)N1CCCCCC1 ZINC000091971210 180295137 /nfs/dbraw/zinc/29/51/37/180295137.db2.gz NHDSXIWHRGGKHL-HNNXBMFYSA-N 1 0 279.428 2.446 10 0 CEAERO CN(C(=O)N1CCCCCC1)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000091971710 180295612 /nfs/dbraw/zinc/29/56/12/180295612.db2.gz FUYCKJZOZKCHRS-KGLIPLIRSA-N 1 0 267.417 2.432 10 0 CEAERO C[C@@H]1CCC[C@@H](C[NH3+])N1C(=O)N1CCCCCC1 ZINC000091971651 180295727 /nfs/dbraw/zinc/29/57/27/180295727.db2.gz YNBPIEGUIXBAFX-OLZOCXBDSA-N 1 0 253.390 2.184 10 0 CEAERO CC1CCN(C(=O)NC2(C[NH3+])CCCCCC2)CC1 ZINC000091972825 180296004 /nfs/dbraw/zinc/29/60/04/180296004.db2.gz IGMSPBDZQHYPRK-UHFFFAOYSA-N 1 0 267.417 2.480 10 0 CEAERO CCC(CC)(C[NH3+])N(C)C(=O)N1CCC[C@H](C)C1 ZINC000091972941 180296018 /nfs/dbraw/zinc/29/60/18/180296018.db2.gz WBOKUXNMDRVCBN-LBPRGKRZSA-N 1 0 255.406 2.288 10 0 CEAERO CC1CCN(C(=O)N2CCC[C@H]2[C@@H]2CCC[NH2+]C2)CC1 ZINC000091973189 180296707 /nfs/dbraw/zinc/29/67/07/180296707.db2.gz DRVCNEGRWHJDRM-CABCVRRESA-N 1 0 279.428 2.302 10 0 CEAERO CC[C@@H]([NH3+])Cc1cccc(OC[C@H]2CN(CC)CCO2)c1 ZINC000092060668 180315293 /nfs/dbraw/zinc/31/52/93/180315293.db2.gz YOOJVCRPVNRIDS-NVXWUHKLSA-N 1 0 292.423 2.066 10 0 CEAERO CC1CCN(C(=O)Nc2cccc(C(N)=[NH2+])c2)CC1 ZINC000091993285 180300442 /nfs/dbraw/zinc/30/04/42/180300442.db2.gz WSRCNTZUZJIKLM-UHFFFAOYSA-N 1 0 260.341 2.234 10 0 CEAERO C[C@@H]1CCCN(C(=O)N[C@H]2c3ccccc3C[C@@H]2[NH3+])C1 ZINC000091993163 180300448 /nfs/dbraw/zinc/30/04/48/180300448.db2.gz VKUXNYLWILLQTJ-UGFHNGPFSA-N 1 0 273.380 2.053 10 0 CEAERO C[NH2+]Cc1nc(C)ccc1OCC(=O)Nc1ccccc1 ZINC000091994293 180301190 /nfs/dbraw/zinc/30/11/90/180301190.db2.gz RJPTVUFPKMEMAA-UHFFFAOYSA-N 1 0 285.347 2.127 10 0 CEAERO CC[NH2+]Cc1nc(C)ccc1OC[C@H]1CCCO1 ZINC000091994894 180301619 /nfs/dbraw/zinc/30/16/19/180301619.db2.gz ZHIKXVFGDRFKBV-GFCCVEGCSA-N 1 0 250.342 2.057 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccc(OC[C@H]2CN(CC)CCO2)cc1 ZINC000092060620 180315699 /nfs/dbraw/zinc/31/56/99/180315699.db2.gz KLDMKASWMCFKLX-NVXWUHKLSA-N 1 0 292.423 2.066 10 0 CEAERO Cc1ccc(O[C@H]2CCC[C@H]2O)c(C[NH2+]C(C)C)n1 ZINC000091995530 180302192 /nfs/dbraw/zinc/30/21/92/180302192.db2.gz QGZJWEPFCKQJQZ-HIFRSBDPSA-N 1 0 264.369 2.180 10 0 CEAERO Cc1ccc(OCC[C@@H]2CCCO2)c(C[C@H](C)[NH3+])n1 ZINC000092000117 180303896 /nfs/dbraw/zinc/30/38/96/180303896.db2.gz UKGIUNHLKXJYSF-AAEUAGOBSA-N 1 0 264.369 2.228 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccc(OC[C@@H]2CN(CC)CCO2)cc1 ZINC000092060618 180315604 /nfs/dbraw/zinc/31/56/04/180315604.db2.gz KLDMKASWMCFKLX-WBVHZDCISA-N 1 0 292.423 2.066 10 0 CEAERO CC[NH2+][C@@H](C=C(C)C)[C@@](C)(CC)N1CCOCC1 ZINC000092128195 180328681 /nfs/dbraw/zinc/32/86/81/180328681.db2.gz BJTWREICYXULOT-LSDHHAIUSA-N 1 0 254.418 2.432 10 0 CEAERO C[NH2+][C@H](C=C(C)C)C1(N2CCOCC2)CCCC1 ZINC000092128402 180328759 /nfs/dbraw/zinc/32/87/59/180328759.db2.gz RBBGLLYARMMHGY-CQSZACIVSA-N 1 0 252.402 2.186 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)N(Cc1ccc(C)o1)C(C)C ZINC000092134590 180332877 /nfs/dbraw/zinc/33/28/77/180332877.db2.gz KZZHZHRXOQEONR-NSHDSACASA-N 1 0 252.358 2.181 10 0 CEAERO Cc1cc(N)ccc1NC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000092080834 180319465 /nfs/dbraw/zinc/31/94/65/180319465.db2.gz NGGKFRIKJWWMSQ-XQQFMLRXSA-N 1 0 275.396 2.492 10 0 CEAERO COc1ccc([C@H](C[NH3+])N2C[C@H](C)[C@@H](C)C2)cc1OC ZINC000092083102 180320395 /nfs/dbraw/zinc/32/03/95/180320395.db2.gz DECAWTONQFIYRV-OBJOEFQTSA-N 1 0 278.396 2.291 10 0 CEAERO C[NH2+]C1(CC(=O)N2C[C@H](C)[C@H](C)C2)CCCCC1 ZINC000092090568 180322452 /nfs/dbraw/zinc/32/24/52/180322452.db2.gz LRLWWTHHAUFPEN-BETUJISGSA-N 1 0 252.402 2.413 10 0 CEAERO CCC[C@H](C(=O)N1CCc2cc(F)ccc2C1)[NH+](C)C ZINC000092097681 180323809 /nfs/dbraw/zinc/32/38/09/180323809.db2.gz KOBDTPSEOQXMSX-OAHLLOKOSA-N 1 0 278.371 2.441 10 0 CEAERO COc1ccc(NC(=O)[C@H]2C=C[C@H]([NH3+])C2)cc1Cl ZINC000092201165 180342490 /nfs/dbraw/zinc/34/24/90/180342490.db2.gz NPBJMELJXMAWFV-IUCAKERBSA-N 1 0 266.728 2.191 10 0 CEAERO Cc1ccc2nc(NC(=O)[C@H]3C=C[C@H]([NH3+])C3)sc2c1 ZINC000092201237 180342854 /nfs/dbraw/zinc/34/28/54/180342854.db2.gz YPOJHOBXZVNFNU-UWVGGRQHSA-N 1 0 273.361 2.447 10 0 CEAERO Cc1cc(Cl)ccc1NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092201715 180342860 /nfs/dbraw/zinc/34/28/60/180342860.db2.gz UINSHPQXTGZREW-MWLCHTKSSA-N 1 0 250.729 2.490 10 0 CEAERO CC(C)Oc1ccc(NC(=O)[C@H]2C=C[C@H]([NH3+])C2)cc1 ZINC000092201828 180342921 /nfs/dbraw/zinc/34/29/21/180342921.db2.gz VZWCBWGGERGXEX-RYUDHWBXSA-N 1 0 260.337 2.316 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)N(Cc2ccccc2)C2CC2)C1 ZINC000092202022 180342942 /nfs/dbraw/zinc/34/29/42/180342942.db2.gz MTCCXJCNLQCVRX-UONOGXRCSA-N 1 0 256.349 2.081 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)Nc2ccc(Cl)cc2F)C1 ZINC000092203225 180343261 /nfs/dbraw/zinc/34/32/61/180343261.db2.gz NOQKVBPNMXYGDF-CBAPKCEASA-N 1 0 254.692 2.321 10 0 CEAERO CC(C)=CC[NH+]1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000105865741 186080262 /nfs/dbraw/zinc/08/02/62/186080262.db2.gz OFERCPZVCKZRCG-UHFFFAOYSA-N 1 0 276.428 2.121 10 0 CEAERO CC[C@H](NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1)c1ccc(C)cc1 ZINC000092203189 180343290 /nfs/dbraw/zinc/34/32/90/180343290.db2.gz ZWYDZFXYUCFGSI-KFWWJZLASA-N 1 0 258.365 2.466 10 0 CEAERO CC(C)[C@H](NC(=O)[C@H]1C=C[C@@H]([NH3+])C1)c1cccs1 ZINC000092203383 180343395 /nfs/dbraw/zinc/34/33/95/180343395.db2.gz KRIKTLYRMUSBPP-LOWVWBTDSA-N 1 0 264.394 2.465 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)N[C@@H](c2ccccc2)C2CC2)C1 ZINC000092203427 180343452 /nfs/dbraw/zinc/34/34/52/180343452.db2.gz DNONNYCNGWQBKR-ZNMIVQPWSA-N 1 0 256.349 2.157 10 0 CEAERO CCOc1cc(C)ccc1NC(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092204191 180343634 /nfs/dbraw/zinc/34/36/34/180343634.db2.gz FRJVADFQPCTYGQ-NWDGAFQWSA-N 1 0 260.337 2.236 10 0 CEAERO C[C@H](c1ccccc1F)N(C)C(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092204878 180343747 /nfs/dbraw/zinc/34/37/47/180343747.db2.gz YFUVJMDGPIEVDO-GRYCIOLGSA-N 1 0 262.328 2.249 10 0 CEAERO COc1ccc([C@H](NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)C2CC2)cc1 ZINC000092206761 180344266 /nfs/dbraw/zinc/34/42/66/180344266.db2.gz PAFSXAXNJBEKQQ-SQWLQELKSA-N 1 0 286.375 2.166 10 0 CEAERO CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092205276 180344327 /nfs/dbraw/zinc/34/43/27/180344327.db2.gz GBKGFJWTLXUVIQ-VXGBXAGGSA-N 1 0 280.318 2.217 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)N2CCC3(CCCCC3)CC2)C1 ZINC000092207450 180344338 /nfs/dbraw/zinc/34/43/38/180344338.db2.gz CTIADAYEZFZKRY-ZIAGYGMSSA-N 1 0 262.397 2.463 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)NCc2ccc(C(F)(F)F)cc2)C1 ZINC000092207428 180344346 /nfs/dbraw/zinc/34/43/46/180344346.db2.gz LVPWIGMJHXRTHD-PWSUYJOCSA-N 1 0 284.281 2.225 10 0 CEAERO C[C@@H]([NH2+]C[C@H]1Cc2ccccc2S1)c1nncn1C ZINC000092243857 180351726 /nfs/dbraw/zinc/35/17/26/180351726.db2.gz NXCFQBVRJCDJDW-ZYHUDNBSSA-N 1 0 274.393 2.183 10 0 CEAERO C[C@H](CN1CCOCC1)[NH2+]C[C@H]1Cc2ccccc2S1 ZINC000092243300 180351868 /nfs/dbraw/zinc/35/18/68/180351868.db2.gz OBICJRLTQIWJQA-UKRRQHHQSA-N 1 0 292.448 2.014 10 0 CEAERO C[C@]1(C2CC2)CN(C[C@@H]2COc3ccccc32)CC[NH2+]1 ZINC000092307239 180360445 /nfs/dbraw/zinc/36/04/45/180360445.db2.gz HKINAQPZUXALSB-CXAGYDPISA-N 1 0 272.392 2.237 10 0 CEAERO C[C@@H]1CN(C[C@@H]2Cc3ccccc3S2)C[C@H](C)[NH2+]1 ZINC000092267813 180355603 /nfs/dbraw/zinc/35/56/03/180355603.db2.gz ANSWUTZPMGGAPK-SCRDCRAPSA-N 1 0 262.422 2.386 10 0 CEAERO CC[NH2+]Cc1ncnn1CCSc1ccccc1 ZINC000092271262 180355983 /nfs/dbraw/zinc/35/59/83/180355983.db2.gz XXAHRIJBYFFFIU-UHFFFAOYSA-N 1 0 262.382 2.180 10 0 CEAERO CC(C)[C@H](CN(C)C)[NH2+]C[C@H]1COc2ccccc21 ZINC000092300139 180358599 /nfs/dbraw/zinc/35/85/99/180358599.db2.gz BMWACHBOSAGTOI-ZFWWWQNUSA-N 1 0 262.397 2.338 10 0 CEAERO COc1ncccc1C[NH2+]C[C@@H]1COc2ccccc21 ZINC000092299695 180358794 /nfs/dbraw/zinc/35/87/94/180358794.db2.gz ZLEDQJVJYYKPOL-CYBMUJFWSA-N 1 0 270.332 2.356 10 0 CEAERO CCC[N@@H+](CC(N)=S)C[C@H]1COc2ccccc21 ZINC000092301775 180359390 /nfs/dbraw/zinc/35/93/90/180359390.db2.gz CIMYNAPRDVPCSC-NSHDSACASA-N 1 0 264.394 2.161 10 0 CEAERO c1ncn(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000105883004 186083130 /nfs/dbraw/zinc/08/31/30/186083130.db2.gz AIMMVOOPYYIHIJ-OAHLLOKOSA-N 1 0 256.353 2.190 10 0 CEAERO CCC[NH+]1CCC(N(C)Cc2c(C)nn(C)c2OC)CC1 ZINC000092165677 180336465 /nfs/dbraw/zinc/33/64/65/180336465.db2.gz NNBWWSLVZIZQJV-UHFFFAOYSA-N 1 0 294.443 2.043 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](c2nc(-c3cc(F)cc(F)c3)no2)C1 ZINC000092181592 180338708 /nfs/dbraw/zinc/33/87/08/180338708.db2.gz UDUUSSIYKZSTTJ-HQJQHLMTSA-N 1 0 263.247 2.386 10 0 CEAERO CC(C)(C)[NH2+]CC(=O)NCCc1cccc(Cl)c1 ZINC000105854830 186078520 /nfs/dbraw/zinc/07/85/20/186078520.db2.gz UQMQQAYTFRMBPH-UHFFFAOYSA-N 1 0 268.788 2.387 10 0 CEAERO COc1cccc(C[N@@H+]2CCCN(c3cccnn3)CC2)c1 ZINC000105909370 186087703 /nfs/dbraw/zinc/08/77/03/186087703.db2.gz RGBDULXRDRAYRS-UHFFFAOYSA-N 1 0 298.390 2.198 10 0 CEAERO CCOCC[N@@H+]1CCN(CCOCCC(C)C)C[C@@H]1C ZINC000105914085 186088861 /nfs/dbraw/zinc/08/88/61/186088861.db2.gz SOYBMCHPZMBFNQ-INIZCTEOSA-N 1 0 286.460 2.092 10 0 CEAERO Cc1cc(C)n(C[C@@H]2C[N@H+](CCCOC(C)C)CCO2)n1 ZINC000105921530 186091266 /nfs/dbraw/zinc/09/12/66/186091266.db2.gz QMVZMPFVXCEZEE-INIZCTEOSA-N 1 0 295.427 2.016 10 0 CEAERO Cc1noc(C)c1[C@H](C)NC(=O)CC[C@H]1CCCC[NH2+]1 ZINC000092329978 180363920 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Cc1cc(NS(=O)(=O)c2ccc([C@H](C)O)cc2)cc[nH+]1 ZINC000092365811 180369265 /nfs/dbraw/zinc/36/92/65/180369265.db2.gz JXZAHWJPOHCENB-NSHDSACASA-N 1 0 292.360 2.244 10 0 CEAERO C[N@@H+]1CCN(Cc2cccc(N)n2)[C@H](c2ccccc2)C1 ZINC000092368093 180369721 /nfs/dbraw/zinc/36/97/21/180369721.db2.gz VKEIMNDTZCFAOV-INIZCTEOSA-N 1 0 282.391 2.153 10 0 CEAERO Nc1cccc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000092371226 180369849 /nfs/dbraw/zinc/36/98/49/180369849.db2.gz MXBSDNLYOZVOQD-VIFPVBQESA-N 1 0 259.275 2.438 10 0 CEAERO CNc1cccc(CN(CC[NH+](C)C)CC(C)C)n1 ZINC000092368724 180369983 /nfs/dbraw/zinc/36/99/83/180369983.db2.gz GXLJTCUJQXDPBT-UHFFFAOYSA-N 1 0 264.417 2.143 10 0 CEAERO CCNc1cccc(C[N@H+](CC)CCOCC)n1 ZINC000092370859 180370213 /nfs/dbraw/zinc/37/02/13/180370213.db2.gz FVRUBSKYUWKUCZ-UHFFFAOYSA-N 1 0 251.374 2.372 10 0 CEAERO COc1ccc2c(c1)[C@H](N(C)[C@@H]1CC[NH2+]C1)CCC2 ZINC000092387197 180374428 /nfs/dbraw/zinc/37/44/28/180374428.db2.gz XCBSPLUOUKGHLA-CZUORRHYSA-N 1 0 260.381 2.366 10 0 CEAERO COC(=O)CCS[C@H]1CCc2ccc(OC)cc2[C@H]1[NH3+] ZINC000092389409 180375195 /nfs/dbraw/zinc/37/51/95/180375195.db2.gz ADUFHXRNOLRYDY-DZGCQCFKSA-N 1 0 295.404 2.306 10 0 CEAERO CCOC(=O)CS[C@H]1CCc2ccc(OC)cc2[C@H]1[NH3+] ZINC000092389446 180375560 /nfs/dbraw/zinc/37/55/60/180375560.db2.gz GGHYTJDIKSLNQW-DZGCQCFKSA-N 1 0 295.404 2.306 10 0 CEAERO CC(C)[C@H](CO)[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000092393891 180375999 /nfs/dbraw/zinc/37/59/99/180375999.db2.gz JKHJUSRDEJXOQF-AAEUAGOBSA-N 1 0 265.353 2.125 10 0 CEAERO C[C@H]1CC[C@@H](C[NH3+])CN1Cc1cc(Cl)ccn1 ZINC000092417272 180381199 /nfs/dbraw/zinc/38/11/99/180381199.db2.gz MGZCCOJAHSSJQF-QWRGUYRKSA-N 1 0 253.777 2.294 10 0 CEAERO C[C@H]1CCC[C@H](C[NH3+])N1Cc1cc(Cl)ccn1 ZINC000092417242 180381321 /nfs/dbraw/zinc/38/13/21/180381321.db2.gz VYGSSLZEIOTWIW-GXFFZTMASA-N 1 0 253.777 2.437 10 0 CEAERO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1cc(Cl)ccn1 ZINC000092417197 180381366 /nfs/dbraw/zinc/38/13/66/180381366.db2.gz GWLMDVFULGOTQW-GWCFXTLKSA-N 1 0 253.777 2.437 10 0 CEAERO CCNc1cc[nH+]c(CN(CC)CCOCC)c1 ZINC000092419241 180382475 /nfs/dbraw/zinc/38/24/75/180382475.db2.gz RZSZVUXPGKIHLQ-UHFFFAOYSA-N 1 0 251.374 2.372 10 0 CEAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@H](n1ccc(C)n1)CC2 ZINC000092386197 180373508 /nfs/dbraw/zinc/37/35/08/180373508.db2.gz TZPLNODCHMZFLF-HUUCEWRRSA-N 1 0 257.337 2.387 10 0 CEAERO CC[C@@H]1CN([C@@H]2CCc3ccc(OC)cc3[C@@H]2[NH3+])CCO1 ZINC000092385562 180373902 /nfs/dbraw/zinc/37/39/02/180373902.db2.gz JLIVFKLIAHLZHR-XYPHTWIQSA-N 1 0 290.407 2.121 10 0 CEAERO C[NH2+][C@@H]1c2cc(OC)ccc2CC[C@H]1n1cccn1 ZINC000092385991 180374109 /nfs/dbraw/zinc/37/41/09/180374109.db2.gz XXEVSHXXNIAPOC-HUUCEWRRSA-N 1 0 257.337 2.340 10 0 CEAERO CC[NH2+]CCc1ccc(S(=O)(=O)C(C)C)cc1 ZINC000107296119 186167695 /nfs/dbraw/zinc/16/76/95/186167695.db2.gz YBBRBOSRQXRVEF-UHFFFAOYSA-N 1 0 255.383 2.021 10 0 CEAERO Cc1cccc(CN2C[C@H](C3CC3)[NH2+]CC2(C)C)n1 ZINC000092433747 180384420 /nfs/dbraw/zinc/38/44/20/180384420.db2.gz NNVABDWAAAJFDA-OAHLLOKOSA-N 1 0 259.397 2.352 10 0 CEAERO CCC[N@@H+]1CCC[C@@H]([NH+](CC(=O)[O-])C(C)(C)C)CC1 ZINC000092450879 180387928 /nfs/dbraw/zinc/38/79/28/180387928.db2.gz POMCEVDWOPSWNC-CYBMUJFWSA-N 1 0 270.417 2.436 10 0 CEAERO COC(=O)c1cc(Cl)ccc1NC(=O)C[NH2+]C(C)(C)C ZINC000092460650 180389851 /nfs/dbraw/zinc/38/98/51/180389851.db2.gz SOQPFALMIIZHKZ-UHFFFAOYSA-N 1 0 298.770 2.453 10 0 CEAERO COc1ccc(-c2cn3c(n2)[C@@H](C)C[C@H]([NH3+])C3)c(OC)c1 ZINC000107827911 186194678 /nfs/dbraw/zinc/19/46/78/186194678.db2.gz AOIHRCYHBNWWSN-QWRGUYRKSA-N 1 0 287.363 2.402 10 0 CEAERO Nc1c(-c2ccc3c(c2)OCO3)[nH+]c2n1CCCC2 ZINC000107842000 186195505 /nfs/dbraw/zinc/19/55/05/186195505.db2.gz ZJLMMYNQTIPNQK-UHFFFAOYSA-N 1 0 257.293 2.197 10 0 CEAERO Cc1csc([C@H]2CCCN(C(=O)C[C@H]3CC[NH2+]C3)C2)n1 ZINC000130648494 365976853 /nfs/dbraw/zinc/97/68/53/365976853.db2.gz WRZMLIWWMUAJMR-OLZOCXBDSA-N 1 0 293.436 2.157 10 0 CEAERO COc1ccc([C@@H](C)O)cc1CN(C)C[C@@H]1CCC[N@@H+]1C ZINC000092665814 180426128 /nfs/dbraw/zinc/42/61/28/180426128.db2.gz JEGSHMPAAQLKRB-CJNGLKHVSA-N 1 0 292.423 2.275 10 0 CEAERO Cc1cc(NC[C@@H]2CN(C)CCO2)c2ccccc2[nH+]1 ZINC000108945679 186237390 /nfs/dbraw/zinc/23/73/90/186237390.db2.gz JYPYIIHMWONLJS-CYBMUJFWSA-N 1 0 271.364 2.286 10 0 CEAERO C[NH2+][C@@H](C)[C@@H](C)c1nc(-c2ccccc2OC)no1 ZINC000109503859 186257613 /nfs/dbraw/zinc/25/76/13/186257613.db2.gz PBQIUFLHMPFIPU-ZJUUUORDSA-N 1 0 261.325 2.457 10 0 CEAERO C[NH2+][C@H](C)[C@H](c1nc(Cc2ccccn2)no1)C(C)C ZINC000109499814 186257749 /nfs/dbraw/zinc/25/77/49/186257749.db2.gz JHUFVMZGUQFXMJ-BXUZGUMPSA-N 1 0 274.368 2.403 10 0 CEAERO Cc1nc(Cc2noc([C@H]3CCC[C@H]3[NH3+])n2)cs1 ZINC000109511360 186257941 /nfs/dbraw/zinc/25/79/41/186257941.db2.gz SVVOIWCYUIAVTR-VHSXEESVSA-N 1 0 264.354 2.020 10 0 CEAERO CCC[NH2+][C@H](C)[C@H](C)c1nc(-c2cnccn2)no1 ZINC000109507267 186257997 /nfs/dbraw/zinc/25/79/97/186257997.db2.gz FZRVUYCZLVNMEG-VHSXEESVSA-N 1 0 261.329 2.018 10 0 CEAERO Cc1nc(Cc2noc([C@@H]3CCCC[C@H]3[NH3+])n2)cs1 ZINC000109511383 186258377 /nfs/dbraw/zinc/25/83/77/186258377.db2.gz PNOJSNIRSAOIEW-GHMZBOCLSA-N 1 0 278.381 2.410 10 0 CEAERO C[NH2+][C@H](C)[C@H](c1nc(Cc2ccncc2)no1)C(C)C ZINC000109509213 186258677 /nfs/dbraw/zinc/25/86/77/186258677.db2.gz REULETQANUAMCS-BXUZGUMPSA-N 1 0 274.368 2.403 10 0 CEAERO CC[NH2+][C@H]1CCC[C@H]1c1nc(Cc2cccnc2)no1 ZINC000109510652 186258685 /nfs/dbraw/zinc/25/86/85/186258685.db2.gz JCCWGWHMIYAUSV-OLZOCXBDSA-N 1 0 272.352 2.301 10 0 CEAERO CC(C)[C@H]([NH3+])Cc1nc(COc2ccccc2)no1 ZINC000109509299 186258723 /nfs/dbraw/zinc/25/87/23/186258723.db2.gz NKPBJIUXGBKYJJ-GFCCVEGCSA-N 1 0 261.325 2.174 10 0 CEAERO COc1ccc(Cc2noc(C[C@@H]([NH3+])C(C)C)n2)cc1 ZINC000109520757 186258781 /nfs/dbraw/zinc/25/87/81/186258781.db2.gz JEUGIRVONGEWBD-CYBMUJFWSA-N 1 0 275.352 2.195 10 0 CEAERO CCCOCc1noc([C@@H]2CCCC[C@@H]2[NH2+]C)n1 ZINC000109519781 186258783 /nfs/dbraw/zinc/25/87/83/186258783.db2.gz MPBPTNXKTAJORC-MNOVXSKESA-N 1 0 253.346 2.242 10 0 CEAERO CC[NH2+][C@H]1CCCCC[C@H]1c1nc(CCOC)no1 ZINC000109516989 186259005 /nfs/dbraw/zinc/25/90/05/186259005.db2.gz BFKGVMCHEVVYSJ-NEPJUHHUSA-N 1 0 267.373 2.284 10 0 CEAERO COc1ccc(Cc2noc([C@@H]3CCC[C@H]3[NH3+])n2)cc1 ZINC000109520725 186259326 /nfs/dbraw/zinc/25/93/26/186259326.db2.gz LTYRZJRJRBRXAP-CHWSQXEVSA-N 1 0 273.336 2.264 10 0 CEAERO C[C@H]([NH3+])CCc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000109520969 186259365 /nfs/dbraw/zinc/25/93/65/186259365.db2.gz LOAPMTGPQDTITJ-LURJTMIESA-N 1 0 271.242 2.434 10 0 CEAERO NNc1cc(C2CC2)nc(Cc2cccc(F)c2)[nH+]1 ZINC000109527389 186259844 /nfs/dbraw/zinc/25/98/44/186259844.db2.gz XWEPRQCQMMESQM-UHFFFAOYSA-N 1 0 258.300 2.370 10 0 CEAERO NNc1cc(C2CC2)nc(-c2ccc3c(c2)OCCO3)[nH+]1 ZINC000109528076 186260184 /nfs/dbraw/zinc/26/01/84/186260184.db2.gz UCBXBBFZLFQGRE-UHFFFAOYSA-N 1 0 284.319 2.078 10 0 CEAERO Cc1nn(C)c(Oc2cc(F)ccc2F)c1C[NH3+] ZINC000109354555 186249575 /nfs/dbraw/zinc/24/95/75/186249575.db2.gz OZZLIDXRTQDOAB-UHFFFAOYSA-N 1 0 253.252 2.258 10 0 CEAERO Cn1cnnc1CC[NH2+]Cc1ccc2ccccc2c1 ZINC000109420811 186251944 /nfs/dbraw/zinc/25/19/44/186251944.db2.gz UBVDAJSXBLMGCO-UHFFFAOYSA-N 1 0 266.348 2.301 10 0 CEAERO CCC[C@@H](C[NH3+])N1CCN(C(=O)C2CCCCCC2)CC1 ZINC000109449387 186252706 /nfs/dbraw/zinc/25/27/06/186252706.db2.gz CHVNYWIOCAJUDY-INIZCTEOSA-N 1 0 295.471 2.228 10 0 CEAERO CCCC[C@@H](CC)C(=O)N1CCN(C(C)(C)C[NH3+])CC1 ZINC000109450140 186252990 /nfs/dbraw/zinc/25/29/90/186252990.db2.gz OFKIMSOUGITIIS-CQSZACIVSA-N 1 0 283.460 2.084 10 0 CEAERO CC[C@H](c1nccc(-c2ccccc2)n1)N1CC[NH2+]CC1 ZINC000109475941 186254835 /nfs/dbraw/zinc/25/48/35/186254835.db2.gz AMAZWYNEKLGSRS-MRXNPFEDSA-N 1 0 282.391 2.500 10 0 CEAERO Cc1ccc(F)cc1-c1nc([C@H](C)N2CC[NH2+]CC2)no1 ZINC000109474292 186254988 /nfs/dbraw/zinc/25/49/88/186254988.db2.gz ZGUPEHVKYGCESX-NSHDSACASA-N 1 0 290.342 2.150 10 0 CEAERO CCC[C@H](c1nc(CC)cc(CC)n1)N1CC[NH2+]CC1 ZINC000109475982 186255153 /nfs/dbraw/zinc/25/51/53/186255153.db2.gz ISMLFQLPAIWDAF-OAHLLOKOSA-N 1 0 276.428 2.348 10 0 CEAERO C[C@@H](c1noc(-c2cccc(Cl)c2)n1)N1CC[NH2+]CC1 ZINC000109473873 186255232 /nfs/dbraw/zinc/25/52/32/186255232.db2.gz JKWNGLFHFKJDDT-JTQLQIEISA-N 1 0 292.770 2.356 10 0 CEAERO C[C@H](c1nc(C(C)(C)C)cs1)N1CC[NH2+]CC1 ZINC000110460836 186297072 /nfs/dbraw/zinc/29/70/72/186297072.db2.gz JPXKVZNPIRSLNA-SNVBAGLBSA-N 1 0 253.415 2.407 10 0 CEAERO Cc1cccc(-c2noc([C@@H]3CCC[C@@H]([NH3+])C3)n2)n1 ZINC000110473358 186298100 /nfs/dbraw/zinc/29/81/00/186298100.db2.gz MQMPCQWZSHCYKK-GHMZBOCLSA-N 1 0 258.325 2.425 10 0 CEAERO CCC[NH2+][C@@H](CC)[C@H](C)c1nc(-c2cnccn2)no1 ZINC000110478831 186298703 /nfs/dbraw/zinc/29/87/03/186298703.db2.gz COSGUBKBVDZCMO-QWRGUYRKSA-N 1 0 275.356 2.408 10 0 CEAERO CCC[C@]1(c2nc(-c3cccc(C)n3)no2)CC[NH2+]C1 ZINC000110480714 186299603 /nfs/dbraw/zinc/29/96/03/186299603.db2.gz CAYOQFSIFCDMLZ-HNNXBMFYSA-N 1 0 272.352 2.471 10 0 CEAERO CC[C@@H]([NH3+])[C@H](O[C@@H]1CCOC1)c1ccccc1OC ZINC000110525731 186301389 /nfs/dbraw/zinc/30/13/89/186301389.db2.gz NVBRKAQTKUFLGT-UXIGCNINSA-N 1 0 265.353 2.279 10 0 CEAERO CC[C@@H]([NH2+]C)c1nnc([C@@H]2COc3ccccc3C2)o1 ZINC000110541266 186302335 /nfs/dbraw/zinc/30/23/35/186302335.db2.gz KPUPGQIWEPLHDE-NWDGAFQWSA-N 1 0 273.336 2.459 10 0 CEAERO C[C@](O)(c1cnc2ccccc2c1)[C@@H]1CCC[NH2+]C1 ZINC000110551857 186302931 /nfs/dbraw/zinc/30/29/31/186302931.db2.gz DRNUKWRNAAKSRL-CZUORRHYSA-N 1 0 256.349 2.442 10 0 CEAERO [NH3+]Cc1ccc(CC(=O)N2CCc3ccccc3C2)cc1 ZINC000110611794 186305911 /nfs/dbraw/zinc/30/59/11/186305911.db2.gz MCGAELNQHXCSQN-UHFFFAOYSA-N 1 0 280.371 2.273 10 0 CEAERO CC(C)n1cc(NC(=O)Cc2ccc(C[NH3+])cc2)cn1 ZINC000110614265 186306071 /nfs/dbraw/zinc/30/60/71/186306071.db2.gz FYELPOVVTFHSSM-UHFFFAOYSA-N 1 0 272.352 2.104 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CNc1cc(OC)c(F)cc1N ZINC000110625638 186306393 /nfs/dbraw/zinc/30/63/93/186306393.db2.gz JXZJZEQXVLXODW-SNVBAGLBSA-N 1 0 267.348 2.313 10 0 CEAERO COc1cc(OCC[C@H]2CCC[N@@H+]2C)c(N)cc1F ZINC000110631979 186307656 /nfs/dbraw/zinc/30/76/56/186307656.db2.gz DOVUECFWHZFJIL-SNVBAGLBSA-N 1 0 268.332 2.280 10 0 CEAERO C[C@H]1CCC[N@H+](Cc2cccnc2C(N)=S)CC1 ZINC000110804553 186326564 /nfs/dbraw/zinc/32/65/64/186326564.db2.gz RJIPIOXJWZTRRZ-NSHDSACASA-N 1 0 263.410 2.338 10 0 CEAERO C[C@H]1CCCN(S(=O)(=O)Cc2cccc(C[NH3+])c2)CC1 ZINC000110808934 186326615 /nfs/dbraw/zinc/32/66/15/186326615.db2.gz RBZFYDXAQWKOPI-ZDUSSCGKSA-N 1 0 296.436 2.097 10 0 CEAERO C[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@@H](C)CC2)cc1 ZINC000110816254 186326746 /nfs/dbraw/zinc/32/67/46/186326746.db2.gz OWKPENVJAYAYCO-CYBMUJFWSA-N 1 0 296.436 2.217 10 0 CEAERO CCOC(=O)[C@@](C)(C[N@H+](C)CC1CCCC1)NC1CC1 ZINC000110841187 186328714 /nfs/dbraw/zinc/32/87/14/186328714.db2.gz HYIKYOWSNORSPZ-MRXNPFEDSA-N 1 0 282.428 2.182 10 0 CEAERO C[C@@H]1C[C@H](C(=O)N(C)CC2CCCC2)CC[C@@H]1[NH3+] ZINC000110848182 186329383 /nfs/dbraw/zinc/32/93/83/186329383.db2.gz CARYIHBXGDGIMB-BNOWGMLFSA-N 1 0 252.402 2.399 10 0 CEAERO CCCn1cc(Cl)cc1C(=O)N(C)[C@H]1CCC[NH2+]C1 ZINC000110927135 186333519 /nfs/dbraw/zinc/33/35/19/186333519.db2.gz ZJPTWCNDAYVUEK-LBPRGKRZSA-N 1 0 283.803 2.376 10 0 CEAERO Cc1cc(C)c(NC(=O)CN(C)[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000110929834 186334031 /nfs/dbraw/zinc/33/40/31/186334031.db2.gz QSXCACHCEFRWHF-HNNXBMFYSA-N 1 0 289.423 2.234 10 0 CEAERO CCN(C(=O)c1cccc2[nH]ccc21)[C@@H]1CCC[NH2+]C1 ZINC000110939851 186334280 /nfs/dbraw/zinc/33/42/80/186334280.db2.gz LZIBNHDPYCUPJQ-GFCCVEGCSA-N 1 0 271.364 2.382 10 0 CEAERO CCc1ccc(NC(=O)CN(CC)[C@H]2CCC[NH2+]C2)cc1 ZINC000110945039 186335175 /nfs/dbraw/zinc/33/51/75/186335175.db2.gz MLOFHIQNGVVSHF-INIZCTEOSA-N 1 0 289.423 2.261 10 0 CEAERO CCCN(c1ccc(C(=O)OCC)cn1)[C@H]1CCC[NH2+]C1 ZINC000110948565 186335178 /nfs/dbraw/zinc/33/51/78/186335178.db2.gz SRCNOQOVWLBSNN-AWEZNQCLSA-N 1 0 291.395 2.227 10 0 CEAERO CCCN(c1cc2ccccc2c(=O)[nH]1)[C@@H]1CCC[NH2+]C1 ZINC000110948161 186335467 /nfs/dbraw/zinc/33/54/67/186335467.db2.gz KDNKDKISZFPNQH-CQSZACIVSA-N 1 0 285.391 2.497 10 0 CEAERO CC(C)[C@H]([NH3+])Cc1nc(Cc2nc3ccccc3[nH]2)no1 ZINC000110951470 186336732 /nfs/dbraw/zinc/33/67/32/186336732.db2.gz YJXBQAZOEPLBCP-SNVBAGLBSA-N 1 0 285.351 2.063 10 0 CEAERO CCNc1ccc(C(=O)N2CC[N@H+](C)[C@@H](CC)C2)cc1 ZINC000110696979 186314435 /nfs/dbraw/zinc/31/44/35/186314435.db2.gz VUNUXOOKYJTLAE-HNNXBMFYSA-N 1 0 275.396 2.285 10 0 CEAERO C[C@@H]1CN([C@@H](C[NH3+])c2ccc(Cl)s2)CCN1C ZINC000110701624 186314546 /nfs/dbraw/zinc/31/45/46/186314546.db2.gz ASWBHIFNJYXZTK-ZJUUUORDSA-N 1 0 273.833 2.037 10 0 CEAERO CC[N@@H+]1CCN(C(=O)c2ccc(Cl)c(N)c2)C[C@H]1C ZINC000110700245 186314586 /nfs/dbraw/zinc/31/45/86/186314586.db2.gz HYTKEBVZGNCRID-SNVBAGLBSA-N 1 0 281.787 2.088 10 0 CEAERO CC[C@H]1CN(C2N=NC(=S)N2C2CCCC2)CC[N@@H+]1C ZINC000110732220 186316914 /nfs/dbraw/zinc/31/69/14/186316914.db2.gz JQARDSDJFHNYEP-NSHDSACASA-N 1 0 295.456 2.212 10 0 CEAERO Cc1ccc([C@@H](O)[C@H](C)[N@@H+]2CCN(C)C(C)(C)C2)cc1 ZINC000110736509 186318603 /nfs/dbraw/zinc/31/86/03/186318603.db2.gz ZNSNNUVWUBBKBA-HOCLYGCPSA-N 1 0 276.424 2.443 10 0 CEAERO CCNc1ncccc1CN1CC[N@H+](C)C(C)(C)C1 ZINC000110743226 186319260 /nfs/dbraw/zinc/31/92/60/186319260.db2.gz LSZPSDADZXCPAT-UHFFFAOYSA-N 1 0 262.401 2.039 10 0 CEAERO Cc1ccccc1NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000110758038 186320582 /nfs/dbraw/zinc/32/05/82/186320582.db2.gz ARXBQLXUFGOCCU-UHFFFAOYSA-N 1 0 261.413 2.433 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1sc(C)cc1C(=O)OCC ZINC000110777532 186322648 /nfs/dbraw/zinc/32/26/48/186322648.db2.gz CMDQISUGLYFQPH-VIFPVBQESA-N 1 0 298.408 2.417 10 0 CEAERO CC[C@H]1CN(C(=O)c2c[nH]c3ccccc23)CC[N@@H+]1C ZINC000110767507 186323281 /nfs/dbraw/zinc/32/32/81/186323281.db2.gz ZEUITTJTRCMBPJ-LBPRGKRZSA-N 1 0 271.364 2.334 10 0 CEAERO CCOC(=O)c1cc(C)sc1NC(=O)C[C@H]1CCC[NH2+]1 ZINC000110777659 186324226 /nfs/dbraw/zinc/32/42/26/186324226.db2.gz WIKZLUMIDBPCIL-SNVBAGLBSA-N 1 0 296.392 2.314 10 0 CEAERO CCOc1cc(N(C)C[C@@H]2CC[N@H+](C)C2)ccc1N ZINC000111056354 186349270 /nfs/dbraw/zinc/34/92/70/186349270.db2.gz VKQWPAMQZFWVAS-GFCCVEGCSA-N 1 0 263.385 2.055 10 0 CEAERO Cc1cc(C)c(C(N)=[NH2+])c(Oc2ccccc2CO)n1 ZINC000110993783 186341586 /nfs/dbraw/zinc/34/15/86/186341586.db2.gz GUUVHJVTOKFINU-UHFFFAOYSA-N 1 0 271.320 2.267 10 0 CEAERO C[NH2+][C@@H](C)c1cc(F)ccc1SCCS(C)(=O)=O ZINC000111005080 186342487 /nfs/dbraw/zinc/34/24/87/186342487.db2.gz KOPOQCDESRTSCT-VIFPVBQESA-N 1 0 291.413 2.243 10 0 CEAERO CC(C)(C)[NH+]1CCN(C(=O)c2c(N)cccc2Cl)CC1 ZINC000111011589 186342782 /nfs/dbraw/zinc/34/27/82/186342782.db2.gz JKSDLPYFDFOXBA-UHFFFAOYSA-N 1 0 295.814 2.479 10 0 CEAERO CC[NH+](CC)C[C@@H](C)NC(=O)c1c(N)cccc1Cl ZINC000111012212 186343263 /nfs/dbraw/zinc/34/32/63/186343263.db2.gz KDFPIADQMLHACB-SNVBAGLBSA-N 1 0 283.803 2.382 10 0 CEAERO Nc1cccc(Cl)c1C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000111012802 186343339 /nfs/dbraw/zinc/34/33/39/186343339.db2.gz OHHSYBBRGCMEJN-LLVKDONJSA-N 1 0 293.798 2.233 10 0 CEAERO NC(=O)c1cc(F)ccc1N1CC[NH2+]Cc2ccccc21 ZINC000111027411 186345722 /nfs/dbraw/zinc/34/57/22/186345722.db2.gz PICIITALKUUKII-UHFFFAOYSA-N 1 0 285.322 2.166 10 0 CEAERO C[C@H]1CN([C@@H](C[NH3+])c2cccc(F)c2F)CCCO1 ZINC000111040003 186346754 /nfs/dbraw/zinc/34/67/54/186346754.db2.gz PBKRCKASUNORCM-GWCFXTLKSA-N 1 0 270.323 2.075 10 0 CEAERO CCNc1c(F)cc(C(=O)N(C)CC[NH+](C)C)cc1F ZINC000111151355 186360630 /nfs/dbraw/zinc/36/06/30/186360630.db2.gz KYDYZDMRIDETLL-UHFFFAOYSA-N 1 0 285.338 2.030 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cccnc1)N(C)C[C@@H]1CCCOC1 ZINC000111154336 186360784 /nfs/dbraw/zinc/36/07/84/186360784.db2.gz ROEVTLKJPWNLKX-IMJJTQAJSA-N 1 0 277.412 2.218 10 0 CEAERO COc1ccc([C@H](N)[C@@H](C)[N@H+](C)C[C@@H]2CCCOC2)cc1 ZINC000111160658 186361908 /nfs/dbraw/zinc/36/19/08/186361908.db2.gz CARVKMHNBURYJH-JKIFEVAISA-N 1 0 292.423 2.442 10 0 CEAERO C[C@H](c1ccccc1)[C@@H](CN)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111158271 186361919 /nfs/dbraw/zinc/36/19/19/186361919.db2.gz JJULCPDFQCPUFZ-HLLBOEOZSA-N 1 0 276.424 2.476 10 0 CEAERO COc1ccc([C@H](C[NH3+])N(C)C[C@@H]2CCCOC2)cc1C ZINC000111158243 186362587 /nfs/dbraw/zinc/36/25/87/186362587.db2.gz PAPBXLGFKCNNQM-HOCLYGCPSA-N 1 0 292.423 2.362 10 0 CEAERO CC[C@@H](N)[C@@H]([N@H+](C)CC1CCOCC1)C(C)(C)C ZINC000111155431 186362855 /nfs/dbraw/zinc/36/28/55/186362855.db2.gz OLSBOLUZOPHLGV-ZIAGYGMSSA-N 1 0 256.434 2.497 10 0 CEAERO NC(=O)c1ccc(C[NH2+]C[C@@H]2C[C@H]3CC[C@@H]2C3)c(F)c1 ZINC000111087844 186351514 /nfs/dbraw/zinc/35/15/14/186351514.db2.gz WEPVECGONWNYJD-WDMOLILDSA-N 1 0 276.355 2.450 10 0 CEAERO CC[C@@H]1CC[C@H](O)[C@H]([N@H+](C)C[C@@H]2CCCOC2)C1 ZINC000111168557 186363323 /nfs/dbraw/zinc/36/33/23/186363323.db2.gz FCGIXOMGESVGED-BARDWOONSA-N 1 0 255.402 2.284 10 0 CEAERO CCCOCCO[C@H](C[NH3+])c1ccccc1OC ZINC000111105588 186352277 /nfs/dbraw/zinc/35/22/77/186352277.db2.gz CZUZCLIUXRYDOM-CQSZACIVSA-N 1 0 253.342 2.138 10 0 CEAERO NNc1[nH+]cc(C(=O)NC[C@H]2C[C@H]3CC[C@@H]2C3)cc1Cl ZINC000111104340 186352847 /nfs/dbraw/zinc/35/28/47/186352847.db2.gz FBVRAHRGKXHXNN-IVZWLZJFSA-N 1 0 294.786 2.187 10 0 CEAERO CCCOCCO[C@@H](c1ccncc1)[C@H]([NH3+])CC ZINC000111105454 186353051 /nfs/dbraw/zinc/35/30/51/186353051.db2.gz NZBDDJOTFSILFV-KGLIPLIRSA-N 1 0 252.358 2.303 10 0 CEAERO COc1ccc(C=O)cc1C[N@H+](C)CC1CCOCC1 ZINC000111166638 186363380 /nfs/dbraw/zinc/36/33/80/186363380.db2.gz CFZXMBYFNAPWCR-UHFFFAOYSA-N 1 0 277.364 2.366 10 0 CEAERO CCCOCCOc1ccc(C(N)=[NH2+])c(Cl)c1 ZINC000111109100 186353877 /nfs/dbraw/zinc/35/38/77/186353877.db2.gz WRJNSQMYMFBXRE-UHFFFAOYSA-N 1 0 256.733 2.429 10 0 CEAERO CCOCCN(CC)c1nc(CC)c(C[NH2+]C)s1 ZINC000111124600 186354388 /nfs/dbraw/zinc/35/43/88/186354388.db2.gz LGSTXXXPCITMTR-UHFFFAOYSA-N 1 0 271.430 2.288 10 0 CEAERO CCOCC[N@H+](CC)Cc1ccc(F)cc1C(N)=S ZINC000111119341 186354748 /nfs/dbraw/zinc/35/47/48/186354748.db2.gz YJPLEMHVLFHHNN-UHFFFAOYSA-N 1 0 284.400 2.318 10 0 CEAERO CCOc1cc(N(C)CCC[NH+](C)C)c(N)cc1F ZINC000111132235 186356379 /nfs/dbraw/zinc/35/63/79/186356379.db2.gz GHVDFCFJNMJQQQ-UHFFFAOYSA-N 1 0 269.364 2.195 10 0 CEAERO CSc1ccc(C(=O)CN(C)CC[NH+](C)C)cc1 ZINC000111139763 186356893 /nfs/dbraw/zinc/35/68/93/186356893.db2.gz LHSLVXVVBHYFBY-UHFFFAOYSA-N 1 0 266.410 2.085 10 0 CEAERO CN(CC[NH+](C)C)CC(=O)c1ccccc1Cl ZINC000111139682 186357728 /nfs/dbraw/zinc/35/77/28/186357728.db2.gz IVRJQFKDIOPECE-UHFFFAOYSA-N 1 0 254.761 2.016 10 0 CEAERO C[C@H](C[N@H+](C)CCCN(C)C)C(=O)c1ccccc1 ZINC000111146525 186358789 /nfs/dbraw/zinc/35/87/89/186358789.db2.gz ZYGMMHFOOKGSSY-CQSZACIVSA-N 1 0 262.397 2.389 10 0 CEAERO CCOc1ccccc1[C@@H](O)CN(C)CCC[NH+](C)C ZINC000111143777 186359451 /nfs/dbraw/zinc/35/94/51/186359451.db2.gz JHMHPQFQSKBSSC-HNNXBMFYSA-N 1 0 280.412 2.002 10 0 CEAERO CC[C@@H]([NH3+])c1noc([C@@H]2CCOc3ccccc32)n1 ZINC000111189319 186367675 /nfs/dbraw/zinc/36/76/75/186367675.db2.gz GSKUCNOIEBSIQN-GHMZBOCLSA-N 1 0 259.309 2.394 10 0 CEAERO C[N@@H+](Cc1ccc(F)cc1C(N)=S)CC1CCOCC1 ZINC000111163210 186363807 /nfs/dbraw/zinc/36/38/07/186363807.db2.gz AZZFSWJILADWBU-UHFFFAOYSA-N 1 0 296.411 2.318 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2OC[C@H]1N(C)CC1CCOCC1 ZINC000111162277 186363985 /nfs/dbraw/zinc/36/39/85/186363985.db2.gz VRNBCQHJVRRPDP-NVXWUHKLSA-N 1 0 290.407 2.067 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)N(C)C[C@@H]1CCCOC1 ZINC000111165730 186364503 /nfs/dbraw/zinc/36/45/03/186364503.db2.gz LMMBKXYUPHXNSP-AWEZNQCLSA-N 1 0 284.444 2.417 10 0 CEAERO C[N@H+](CC1CCOCC1)[C@H]1CCCCCC[C@@H]1N ZINC000111161616 186364543 /nfs/dbraw/zinc/36/45/43/186364543.db2.gz ADHFUVFLTPZFRI-GJZGRUSLSA-N 1 0 254.418 2.395 10 0 CEAERO C[N@@H+](Cc1nc(N)ccc1Cl)C[C@H]1CCCOC1 ZINC000111170688 186365980 /nfs/dbraw/zinc/36/59/80/186365980.db2.gz WAIYCOOGTVXGRM-SNVBAGLBSA-N 1 0 269.776 2.176 10 0 CEAERO CC[NH2+][C@@H](Cc1ncc[nH]1)[C@H]1CCOc2ccccc21 ZINC000111185790 186366770 /nfs/dbraw/zinc/36/67/70/186366770.db2.gz ICQLURAGXNYEKM-JSGCOSHPSA-N 1 0 271.364 2.497 10 0 CEAERO CC(C)C[NH2+]C[C@@H](C)Sc1nnc(N(C)C)s1 ZINC000111317292 186396187 /nfs/dbraw/zinc/39/61/87/186396187.db2.gz VWZLZTMJPUEIQY-SECBINFHSA-N 1 0 274.459 2.330 10 0 CEAERO C[NH2+]C[C@]1(CN2CCc3sccc3C2)CCCOC1 ZINC000111323973 186396912 /nfs/dbraw/zinc/39/69/12/186396912.db2.gz JQJZWEFNECQJJQ-HNNXBMFYSA-N 1 0 280.437 2.122 10 0 CEAERO C[N@H+](CC1CCCCC1)[C@@H](CN)[C@@H]1CCCOC1 ZINC000111320921 186397142 /nfs/dbraw/zinc/39/71/42/186397142.db2.gz QQOYCRHNYXHYLO-CABCVRRESA-N 1 0 254.418 2.252 10 0 CEAERO CC(C)[NH2+]C[C@@]1(CN2C[C@@H](C)OC(C)(C)C2)CCCOC1 ZINC000111327383 186399061 /nfs/dbraw/zinc/39/90/61/186399061.db2.gz WBIKVNPAGHQVCF-NVXWUHKLSA-N 1 0 298.471 2.281 10 0 CEAERO C[N@H+](C[C@]1(CO)CCCOC1)C1CCCCCC1 ZINC000111331171 186399324 /nfs/dbraw/zinc/39/93/24/186399324.db2.gz OYIWYSDSFDARKV-HNNXBMFYSA-N 1 0 255.402 2.430 10 0 CEAERO CC[N@H+](C[C@]1(CO)CCCOC1)C1CCCCC1 ZINC000111330985 186399830 /nfs/dbraw/zinc/39/98/30/186399830.db2.gz VNSVWGBPZPATGQ-HNNXBMFYSA-N 1 0 255.402 2.430 10 0 CEAERO Cc1ccccc1[C@@H](CN)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111239091 186375011 /nfs/dbraw/zinc/37/50/11/186375011.db2.gz XHMDYNZAYXLLEM-GOEBONIOSA-N 1 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[NH3+]Cc1ccc(C(=O)N2CC[C@@H](c3ccccc3)C2)nc1 ZINC000111282257 186387582 /nfs/dbraw/zinc/38/75/82/186387582.db2.gz OWMPLXRASYHRAO-OAHLLOKOSA-N 1 0 281.359 2.170 10 0 CEAERO Cc1cc(C)cc(N(C)C(=O)c2ccc(C[NH3+])cn2)c1 ZINC000111282213 186388410 /nfs/dbraw/zinc/38/84/10/186388410.db2.gz DWOKRHSDTHBMGB-UHFFFAOYSA-N 1 0 269.348 2.434 10 0 CEAERO CN(C[C@@H]1C[C@H]2CC[C@@H]1C2)C(=O)c1ccc(C[NH3+])cn1 ZINC000111282631 186389431 /nfs/dbraw/zinc/38/94/31/186389431.db2.gz GSEDTUDBCFCECN-YUTCNCBUSA-N 1 0 273.380 2.049 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc2cc[nH]c2c1 ZINC000111289039 186390752 /nfs/dbraw/zinc/39/07/52/186390752.db2.gz YXOYUMPAYVETBR-ZDUSSCGKSA-N 1 0 257.337 2.121 10 0 CEAERO Cc1c(Cl)ncnc1N[C@H](C[NH+](C)C)C(C)C ZINC000111297618 186392953 /nfs/dbraw/zinc/39/29/53/186392953.db2.gz QQJUYDMJYHDEJY-SNVBAGLBSA-N 1 0 256.781 2.437 10 0 CEAERO CC[C@H]([NH3+])CNC(=O)[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000111303706 186393581 /nfs/dbraw/zinc/39/35/81/186393581.db2.gz JPSLHKSCWFFJHT-SOUVJXGZSA-N 1 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293.386 2.227 10 0 CEAERO CCCCS(=O)(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CCC)C1 ZINC000111713536 186450284 /nfs/dbraw/zinc/45/02/84/186450284.db2.gz UAAJGZZTOHLDEL-ZIAGYGMSSA-N 1 0 290.473 2.216 10 0 CEAERO COc1cccc(CC(=O)N[C@@]2(C[NH3+])CCC[C@@H](C)C2)c1 ZINC000111369613 186407754 /nfs/dbraw/zinc/40/77/54/186407754.db2.gz BPQKZOSNTAOVIM-DYVFJYSZSA-N 1 0 290.407 2.262 10 0 CEAERO CCC1(CC)CC(=O)N([C@]2(C[NH3+])CCC[C@H](C)C2)C1=O ZINC000111382484 186411038 /nfs/dbraw/zinc/41/10/38/186411038.db2.gz LLDKAWOHQYXRRN-BLLLJJGKSA-N 1 0 280.412 2.459 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCOc1ccccc1F ZINC000113271150 186566020 /nfs/dbraw/zinc/56/60/20/186566020.db2.gz CFMUHDUZVUWIDS-UONOGXRCSA-N 1 0 278.371 2.373 10 0 CEAERO CN(C[C@@H]1C[C@H]2CC[C@@H]1C2)C(=O)C1(C[NH3+])CCCC1 ZINC000113339418 186572052 /nfs/dbraw/zinc/57/20/52/186572052.db2.gz DUWPVEKMFVAZOS-MJBXVCDLSA-N 1 0 264.413 2.400 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N1CCn2c(C)ccc2[C@@H]1C ZINC000114930534 186649871 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CO[C@@H]1CN(C(=O)c2cc(Cl)ccc2C)[C@@](C)(C[NH3+])C1 ZINC000630376291 351716620 /nfs/dbraw/zinc/71/66/20/351716620.db2.gz VTUNEEHVGSVDAO-SWLSCSKDSA-N 1 0 296.798 2.227 10 0 CEAERO [NH3+]C1CCN(c2ccc(-c3cc(F)cc(F)c3)nn2)CC1 ZINC000070458514 363085970 /nfs/dbraw/zinc/08/59/70/363085970.db2.gz FQYMQDDIXYQGTG-UHFFFAOYSA-N 1 0 290.317 2.349 10 0 CEAERO CCc1cc(N2CC[C@@H]([NH3+])C2)nc(-c2ccccc2F)n1 ZINC000070455832 363084475 /nfs/dbraw/zinc/08/44/75/363084475.db2.gz DKPYLVSEIJQBTJ-LLVKDONJSA-N 1 0 286.354 2.383 10 0 CEAERO Cc1cc(N2CC[C@@H]([NH3+])C2)nc(-c2ccc(F)cc2)n1 ZINC000070455942 363084737 /nfs/dbraw/zinc/08/47/37/363084737.db2.gz DVYUXYKGPFLMBF-CYBMUJFWSA-N 1 0 272.327 2.129 10 0 CEAERO CO[C@H]1CN(Cc2ccc(Cl)cc2F)[C@](C)(C[NH3+])C1 ZINC000630362768 351711784 /nfs/dbraw/zinc/71/17/84/351711784.db2.gz BSBOZOWLZKGLOM-OCCSQVGLSA-N 1 0 286.778 2.417 10 0 CEAERO C[C@]12C[NH2+]C[C@@]1(C)CN(c1ncnc3sccc31)C2 ZINC000630539183 351778048 /nfs/dbraw/zinc/77/80/48/351778048.db2.gz XPQRPVLYPCQWAK-OKILXGFUSA-N 1 0 274.393 2.127 10 0 CEAERO [NH3+][C@H]1CCCCCN(c2ncnc3ccsc32)C1 ZINC000630550616 351781220 /nfs/dbraw/zinc/78/12/20/351781220.db2.gz WCCBOOLSTPTIHM-JTQLQIEISA-N 1 0 262.382 2.399 10 0 CEAERO [NH3+]C[C@@H]1CN(c2ncc(Cl)cn2)CC[C@@H]1C(F)(F)F ZINC000630526135 351773245 /nfs/dbraw/zinc/77/32/45/351773245.db2.gz ADPOJDKCFQYYPO-APPZFPTMSA-N 1 0 294.708 2.094 10 0 CEAERO C[C@@]1(c2ccc(Br)s2)C[C@]1(C[NH3+])CO ZINC000070501000 363092774 /nfs/dbraw/zinc/09/27/74/363092774.db2.gz UWSRPRHRBDBAOL-UWVGGRQHSA-N 1 0 276.199 2.109 10 0 CEAERO C[C@@H]1CCC[C@@H](CCNC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000070547769 363095096 /nfs/dbraw/zinc/09/50/96/363095096.db2.gz JTQLWYJQXJOYIT-KGLIPLIRSA-N 1 0 282.428 2.075 10 0 CEAERO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CCOCC2)s1 ZINC000123218692 187078472 /nfs/dbraw/zinc/07/84/72/187078472.db2.gz HHYKGNCJEHHQBF-YPMHNXCESA-N 1 0 268.426 2.428 10 0 CEAERO C[C@H](C[NH2+][C@@H](Cc1ccccc1)C1CC1)N1CCOCC1 ZINC000123243055 187080564 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ZINC000094956614 539888477 /nfs/dbraw/zinc/88/84/77/539888477.db2.gz FKRXMKDYEWTWPX-RYUDHWBXSA-N 1 0 264.344 2.311 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@@H]2CC[NH2+][C@@H]2C)cc1F ZINC000094956244 539888511 /nfs/dbraw/zinc/88/85/11/539888511.db2.gz NTFCYJKTWDOWBE-DMDPSCGWSA-N 1 0 264.344 2.309 10 0 CEAERO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000095419628 290336997 /nfs/dbraw/zinc/33/69/97/290336997.db2.gz SXZXSAJHBUOCIJ-AVGNSLFASA-N 1 0 273.442 2.226 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C[C@H]1CCCOC1 ZINC000252693236 539893232 /nfs/dbraw/zinc/89/32/32/539893232.db2.gz IQLRBEIFJVLVEX-BZUAXINKSA-N 1 0 266.429 2.362 10 0 CEAERO Cc1noc2ncnc(N[C@@H]3C[N@H+](C(C)C)C[C@H]3C)c12 ZINC000249209557 539903749 /nfs/dbraw/zinc/90/37/49/539903749.db2.gz CIWNQNSZTXGBMB-MWLCHTKSSA-N 1 0 275.356 2.067 10 0 CEAERO CCC[NH2+][C@H]1CCN(Cc2ncnn2C)c2ccccc21 ZINC000088571488 535191968 /nfs/dbraw/zinc/19/19/68/535191968.db2.gz MABCOMOAAJYJQK-AWEZNQCLSA-N 1 0 285.395 2.266 10 0 CEAERO CC[C@H](NC(=O)[C@H]1CCC[C@H]1C[NH3+])c1nccs1 ZINC000251204831 539972469 /nfs/dbraw/zinc/97/24/69/539972469.db2.gz GTTOKEDHERBTRA-DCAQKATOSA-N 1 0 267.398 2.085 10 0 CEAERO CC[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(F)cc1F ZINC000154952942 188173273 /nfs/dbraw/zinc/17/32/73/188173273.db2.gz BVBKIMSQXZFYKV-IUODEOHRSA-N 1 0 284.350 2.336 10 0 CEAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1ccc2cc[nH]c2c1 ZINC000155228346 188192762 /nfs/dbraw/zinc/19/27/62/188192762.db2.gz PCPPTDSGRPEMLW-TXEJJXNPSA-N 1 0 271.364 2.333 10 0 CEAERO Cc1noc2ncnc(N[C@@H](C[NH3+])C3CCCCC3)c12 ZINC000155861194 539988823 /nfs/dbraw/zinc/98/88/23/539988823.db2.gz JUTAULVPXBTISF-NSHDSACASA-N 1 0 275.356 2.246 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccnc(Cl)c2)[C@@H](C)C1 ZINC000155594231 188215719 /nfs/dbraw/zinc/21/57/19/188215719.db2.gz IHWNOUOBNOXERG-JQWIXIFHSA-N 1 0 281.787 2.194 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc(F)cc2F)[C@@H](C)C1 ZINC000155755049 188225581 /nfs/dbraw/zinc/22/55/81/188225581.db2.gz ZDMREDANNLSBGZ-HZMBPMFUSA-N 1 0 282.334 2.423 10 0 CEAERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]CCOCCO ZINC000156724074 188277943 /nfs/dbraw/zinc/27/79/43/188277943.db2.gz LSLHFZKXBKLTMG-HNNXBMFYSA-N 1 0 263.381 2.299 10 0 CEAERO CC[C@@H]1CN(c2cnc3ccccc3n2)CC[C@H]1[NH3+] ZINC000251862387 539993173 /nfs/dbraw/zinc/99/31/73/539993173.db2.gz SYIHJGJOVZIUKE-VXGBXAGGSA-N 1 0 256.353 2.193 10 0 CEAERO C[C@H]([NH3+])C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000158157257 188360602 /nfs/dbraw/zinc/36/06/02/188360602.db2.gz CQMOPLYVJKVDCH-XVKPBYJWSA-N 1 0 278.249 2.283 10 0 CEAERO C[C@H]([NH3+])C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000158157550 188360923 /nfs/dbraw/zinc/36/09/23/188360923.db2.gz CQMOPLYVJKVDCH-OIBJUYFYSA-N 1 0 278.249 2.283 10 0 CEAERO C[C@H]([NH3+])[C@H]1CN(c2ccnc3cc(Cl)ccc32)CCO1 ZINC000156562991 540008765 /nfs/dbraw/zinc/00/87/65/540008765.db2.gz DBJJWRDKWQYAKZ-ZUZCIYMTSA-N 1 0 291.782 2.441 10 0 CEAERO Cc1cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)nn1C ZINC000337275028 366120861 /nfs/dbraw/zinc/12/08/61/366120861.db2.gz FSXZXYDZNNWRNF-OAGGEKHMSA-N 1 0 277.412 2.244 10 0 CEAERO O[C@@H]1CCCC[C@@H]1[C@H]1CCC[N@@H+]1C[C@@H]1CCCOC1 ZINC000337279117 366122063 /nfs/dbraw/zinc/12/20/63/366122063.db2.gz GLNBOGPNFAFTDT-ZJIFWQFVSA-N 1 0 267.413 2.429 10 0 CEAERO C[C@H](NC(=O)C1([NH3+])CCOCC1)c1cc2ccccc2o1 ZINC000132118743 366119710 /nfs/dbraw/zinc/11/97/10/366119710.db2.gz LJGAUGNQLWXZEY-NSHDSACASA-N 1 0 288.347 2.118 10 0 CEAERO c1cnn(CC2CCN(CC[NH+]3CCCCC3)CC2)c1 ZINC000132291966 366133079 /nfs/dbraw/zinc/13/30/79/366133079.db2.gz FXSJHPLKUOHJDJ-UHFFFAOYSA-N 1 0 276.428 2.081 10 0 CEAERO COCc1nc(C[NH2+]CCCOC(F)F)cs1 ZINC000669832809 540021377 /nfs/dbraw/zinc/02/13/77/540021377.db2.gz MGFIECWFHNFKAE-UHFFFAOYSA-N 1 0 266.313 2.008 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)CCCOc2ccccc2F)C1 ZINC000170864678 188698860 /nfs/dbraw/zinc/69/88/60/188698860.db2.gz BEQGDHISGSUKQE-CYBMUJFWSA-N 1 0 294.370 2.147 10 0 CEAERO CC(C)[C@@H](C)C(=O)NC[C@@H]1[NH2+]CCOc2ccccc21 ZINC000675057868 540077822 /nfs/dbraw/zinc/07/78/22/540077822.db2.gz MDMJFVKVRQHOFY-OCCSQVGLSA-N 1 0 276.380 2.118 10 0 CEAERO Cc1cncc(C2=C[C@H]([NH3+])CN(C(=O)OC(C)(C)C)C2)c1 ZINC000675079107 540119480 /nfs/dbraw/zinc/11/94/80/540119480.db2.gz WJWLDARFGZTGMF-AWEZNQCLSA-N 1 0 289.379 2.351 10 0 CEAERO CC[C@@H](C)[NH2+][C@@H]1CC(=O)N(Cc2ccc(OC)cc2)C1 ZINC000675070174 540112216 /nfs/dbraw/zinc/11/22/16/540112216.db2.gz QRNSADYRNVSXLT-TZMCWYRMSA-N 1 0 276.380 2.184 10 0 CEAERO CC(C)C(=O)N1[C@@H](C(F)(F)F)CCC[C@H]1CC[NH3+] ZINC000675072295 540113333 /nfs/dbraw/zinc/11/33/33/540113333.db2.gz BFILUYYBFVHPGX-VHSXEESVSA-N 1 0 266.307 2.303 10 0 CEAERO O=C(CC[C@@H]1CCC[NH2+]1)NC1C2CC3CC(C2)CC1C3 ZINC000261823009 540153298 /nfs/dbraw/zinc/15/32/98/540153298.db2.gz UDHYTIZJWIJTAY-RWUOKQAASA-N 1 0 276.424 2.460 10 0 CEAERO C[NH2+][C@H](C)C(=O)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000054076382 540200739 /nfs/dbraw/zinc/20/07/39/540200739.db2.gz UNEJLTBLNBNGHQ-SECBINFHSA-N 1 0 274.286 2.272 10 0 CEAERO C[C@@H](C[NH3+])Nc1ccc(I)cc1F ZINC000575494392 366291559 /nfs/dbraw/zinc/29/15/59/366291559.db2.gz YTIGBEVYQMYGHW-LURJTMIESA-N 1 0 294.111 2.189 10 0 CEAERO [NH3+][C@@H]1COC[C@H]1Cc1ccsc1Br ZINC000575530680 366292288 /nfs/dbraw/zinc/29/22/88/366292288.db2.gz KAZPXBBLQCRFDO-HTQZYQBOSA-N 1 0 262.172 2.027 10 0 CEAERO COc1c(C[NH2+]CCc2ccccc2)c(C)nn1C ZINC000134093884 366284585 /nfs/dbraw/zinc/28/45/85/366284585.db2.gz WXDPNIMRASLMJJ-UHFFFAOYSA-N 1 0 259.353 2.069 10 0 CEAERO C[C@H]1COC[C@]1([NH3+])c1cscc1Br ZINC000575568362 366295642 /nfs/dbraw/zinc/29/56/42/366295642.db2.gz CNABZLJECVGOQA-IMTBSYHQSA-N 1 0 262.172 2.331 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)N1CCN(c2ccccc2C)CC1 ZINC000087532877 535340448 /nfs/dbraw/zinc/34/04/48/535340448.db2.gz DVCLQUWJMUCIAR-HNNXBMFYSA-N 1 0 289.423 2.019 10 0 CEAERO CCc1cc(I)c(C[NH3+])c(OC)c1 ZINC000575725184 366347655 /nfs/dbraw/zinc/34/76/55/366347655.db2.gz HGTGETMHTDNNQT-UHFFFAOYSA-N 1 0 291.132 2.321 10 0 CEAERO CS[C@H]1CCCC[N@H+](C[C@H](O)COC(C)(C)C)C1 ZINC000134613754 366347888 /nfs/dbraw/zinc/34/78/88/366347888.db2.gz AGRMURCANWNWEB-STQMWFEESA-N 1 0 275.458 2.380 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1c1nc(C)cc(C)n1 ZINC000577657308 366378305 /nfs/dbraw/zinc/37/83/05/366378305.db2.gz NKBKIJMWMNJJLN-KBPBESRZSA-N 1 0 260.385 2.156 10 0 CEAERO Brc1cnn2c1NCC[C@@H]2[C@@H]1CCC[NH2+]C1 ZINC000232457403 542255166 /nfs/dbraw/zinc/25/51/66/542255166.db2.gz QHEINPQLKIQQKU-PSASIEDQSA-N 1 0 285.189 2.002 10 0 CEAERO Cc1cc[nH+]c(N2CCCCN2)c1Br ZINC000307392988 540300756 /nfs/dbraw/zinc/30/07/56/540300756.db2.gz LLSSGLAGOFMIRV-UHFFFAOYSA-N 1 0 256.147 2.257 10 0 CEAERO Cc1ncc(C[N@H+](C)C[C@@H]2CCC[C@@H](O)C2)s1 ZINC000310098498 540336135 /nfs/dbraw/zinc/33/61/35/540336135.db2.gz AQUXFTXXXHHUQC-VXGBXAGGSA-N 1 0 254.399 2.434 10 0 CEAERO CC(=O)c1ccc(NC(=O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000011754270 540370385 /nfs/dbraw/zinc/37/03/85/540370385.db2.gz HEWRLSFMKRJZMW-INIZCTEOSA-N 1 0 282.343 2.398 10 0 CEAERO CC(C)[C@H](Cn1cccn1)[NH2+]CC[C@@H]1CCCO1 ZINC000310711739 540403440 /nfs/dbraw/zinc/40/34/40/540403440.db2.gz LIOJXYKTSSKFPK-KBPBESRZSA-N 1 0 251.374 2.066 10 0 CEAERO Cc1csc([C@H](C)NC(=O)C[C@@H]2CCC[NH2+]C2)n1 ZINC000080272252 363654596 /nfs/dbraw/zinc/65/45/96/363654596.db2.gz IVDGUXJIVJNSPK-QWRGUYRKSA-N 1 0 267.398 2.018 10 0 CEAERO Cc1ccc(C[NH2+][C@@H](C(N)=O)C(C)C)c(Br)c1 ZINC000229193275 540444375 /nfs/dbraw/zinc/44/43/75/540444375.db2.gz OLLIYWROXREKSM-GFCCVEGCSA-N 1 0 299.212 2.357 10 0 CEAERO Brc1cnn2c1NCC[C@H]2[C@H]1CCC[NH2+]C1 ZINC000232457792 542255534 /nfs/dbraw/zinc/25/55/34/542255534.db2.gz QHEINPQLKIQQKU-WPRPVWTQSA-N 1 0 285.189 2.002 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc(Cl)c(F)c1 ZINC000236230343 283458277 /nfs/dbraw/zinc/45/82/77/283458277.db2.gz GUPWPCUDZRFBGL-JTQLQIEISA-N 1 0 270.735 2.433 10 0 CEAERO CCc1nc(C(Cl)(Cl)Cl)ncc1C[NH3+] ZINC000685959239 540658239 /nfs/dbraw/zinc/65/82/39/540658239.db2.gz LGZNUBOZJQXVLB-UHFFFAOYSA-N 1 0 254.548 2.324 10 0 CEAERO CC[C@@H]1CN(CCc2ccccc2F)CC[N@@H+]1CCOC ZINC000137593172 366546256 /nfs/dbraw/zinc/54/62/56/366546256.db2.gz UJGNBBXMTAKXMH-MRXNPFEDSA-N 1 0 294.414 2.411 10 0 CEAERO Nc1cc(C2CC[NH+](Cc3ccccc3)CC2)[nH]n1 ZINC000143400383 366568502 /nfs/dbraw/zinc/56/85/02/366568502.db2.gz DUOSKQWCEZQPRI-UHFFFAOYSA-N 1 0 256.353 2.372 10 0 CEAERO CCn1nc(C[NH2+][C@@H]2CCO[C@@H]2C)c2ccccc21 ZINC000149586137 366591187 /nfs/dbraw/zinc/59/11/87/366591187.db2.gz HZASBIQJRHLTES-DGCLKSJQSA-N 1 0 259.353 2.323 10 0 CEAERO Cc1cccc(NC[C@H]2CC[N@H+](CCCCCO)C2)n1 ZINC000151110108 366621298 /nfs/dbraw/zinc/62/12/98/366621298.db2.gz NGQGEBPRNKYFDF-OAHLLOKOSA-N 1 0 277.412 2.286 10 0 CEAERO COc1ccc([C@H](C)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000151326318 366639258 /nfs/dbraw/zinc/63/92/58/366639258.db2.gz OBTRYZOVBICLJP-GOEBONIOSA-N 1 0 292.423 2.193 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](C)Oc1ccccc1 ZINC000176974852 189018373 /nfs/dbraw/zinc/01/83/73/189018373.db2.gz XLQVCDRLLFCGQL-CABCVRRESA-N 1 0 290.407 2.397 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccccc1COC ZINC000177040002 189023241 /nfs/dbraw/zinc/02/32/41/189023241.db2.gz VPKUDLCDXVSVMA-OAHLLOKOSA-N 1 0 290.407 2.389 10 0 CEAERO C[C@H](CS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000081899563 363744481 /nfs/dbraw/zinc/74/44/81/363744481.db2.gz IPPHGOJPWNVQBD-BDAKNGLRSA-N 1 0 277.336 2.049 10 0 CEAERO CCc1ccccc1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178314613 189106075 /nfs/dbraw/zinc/10/60/75/189106075.db2.gz UTDZNCVHVKYROW-CQSZACIVSA-N 1 0 258.365 2.169 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CCc3ccc(F)c(F)c32)C1 ZINC000334954444 283571861 /nfs/dbraw/zinc/57/18/61/283571861.db2.gz ZHIPFUWHWIKPSL-GHMZBOCLSA-N 1 0 295.333 2.307 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1nc(C)sc1C ZINC000178812184 189147660 /nfs/dbraw/zinc/14/76/60/189147660.db2.gz PTBFWHIVIZRWOJ-GFCCVEGCSA-N 1 0 281.425 2.316 10 0 CEAERO O=C(c1cc(F)cc2cccnc21)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000179394686 189190824 /nfs/dbraw/zinc/19/08/24/189190824.db2.gz SFOOIXJPXGCWDE-AWEZNQCLSA-N 1 0 299.349 2.294 10 0 CEAERO Cc1cc(C)c(CC(=O)N2CC[C@@H]([NH+](C)C)C2)c(C)c1 ZINC000179903808 189226840 /nfs/dbraw/zinc/22/68/40/189226840.db2.gz IJDUXFJPFHHGPY-OAHLLOKOSA-N 1 0 274.408 2.317 10 0 CEAERO Cn1nccc1C1CC[NH+](Cc2cnn3ccccc23)CC1 ZINC000179849196 189223486 /nfs/dbraw/zinc/22/34/86/189223486.db2.gz QEYPKBRMRGSZLI-UHFFFAOYSA-N 1 0 295.390 2.447 10 0 CEAERO CO[C@H](C[NH2+]C[C@@H]1CCCC[C@@H]1O)C1CCCC1 ZINC000638662755 370671515 /nfs/dbraw/zinc/67/15/15/370671515.db2.gz FLYYXVCELHEWHQ-SOUVJXGZSA-N 1 0 255.402 2.332 10 0 CEAERO C[C@H](C[C@@](C(N)=O)(c1ccccc1)c1ccccn1)[NH+](C)C ZINC000000005295 361116591 /nfs/dbraw/zinc/11/65/91/361116591.db2.gz BWNLUIXQIHPUGO-RDTXWAMCSA-N 1 0 297.402 2.193 10 0 in-man CEAERO CCc1nc(C)c([C@@H](C)[NH2+][C@H]2CCc3ncnn3C2)s1 ZINC000180580827 189263512 /nfs/dbraw/zinc/26/35/12/189263512.db2.gz XGSUELXLKMNYFD-KOLCDFICSA-N 1 0 291.424 2.271 10 0 CEAERO c1nc2n(n1)C[C@H]([NH2+][C@@H](Cc1ccccc1)C1CC1)CC2 ZINC000180580178 189263825 /nfs/dbraw/zinc/26/38/25/189263825.db2.gz GDWATCFSDPPVQJ-CVEARBPZSA-N 1 0 282.391 2.204 10 0 CEAERO COC(=O)CCC[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000180670231 189269163 /nfs/dbraw/zinc/26/91/63/189269163.db2.gz WZXMOMBLICOTTK-CYBMUJFWSA-N 1 0 287.363 2.476 10 0 CEAERO COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCOC2=O)cc1OC ZINC000180886461 189281829 /nfs/dbraw/zinc/28/18/29/189281829.db2.gz JXJMORUKOWSUHY-VXGBXAGGSA-N 1 0 293.363 2.308 10 0 CEAERO O=C([C@@H]1CC[NH2+]C1)N(C1CC1)[C@@H]1CCc2ccccc21 ZINC000152509246 366700304 /nfs/dbraw/zinc/70/03/04/366700304.db2.gz UVGSCZGGWDDLOH-CZUORRHYSA-N 1 0 270.376 2.274 10 0 CEAERO COCCCCC[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152552377 366702791 /nfs/dbraw/zinc/70/27/91/366702791.db2.gz QZBKIUSUXHRDLW-HNNXBMFYSA-N 1 0 264.369 2.351 10 0 CEAERO CC[NH+](CC)CCN[C@@H](COC)c1ccccc1 ZINC000181536984 189299715 /nfs/dbraw/zinc/29/97/15/189299715.db2.gz FYZCNDVYAXGEKT-HNNXBMFYSA-N 1 0 250.386 2.306 10 0 CEAERO C[C@@H]([NH2+]CC[C@@H]1CCOC1=O)c1ccc2c(c1)OCCO2 ZINC000181752811 189306116 /nfs/dbraw/zinc/30/61/16/189306116.db2.gz XKFUANIUKDGTBQ-VXGBXAGGSA-N 1 0 291.347 2.062 10 0 CEAERO Cc1ccc2c(c1)[C@@H](NC(=O)NCC[NH+](C)C)[C@@H](C)C2 ZINC000181935675 189310011 /nfs/dbraw/zinc/31/00/11/189310011.db2.gz BRFKVIZMGVZECG-WFASDCNBSA-N 1 0 275.396 2.089 10 0 CEAERO CC(C)n1ccc(C[N@@H+]2CCC[C@@H]2CCCO)n1 ZINC000083683491 363783756 /nfs/dbraw/zinc/78/37/56/363783756.db2.gz YTBCUQVNDCEYPE-CQSZACIVSA-N 1 0 251.374 2.201 10 0 CEAERO O=C1[C@@H]([NH2+][C@H](CO)c2ccccc2)CCN1c1ccccc1 ZINC000182895347 189338938 /nfs/dbraw/zinc/33/89/38/189338938.db2.gz RFWLDUPCIRZFLU-DLBZAZTESA-N 1 0 296.370 2.115 10 0 CEAERO C[C@H](CCc1cccc(F)c1)N1CCO[C@H](C[NH+](C)C)C1 ZINC000182923487 189340032 /nfs/dbraw/zinc/34/00/32/189340032.db2.gz XVIUBGVOCPUGIO-RHSMWYFYSA-N 1 0 294.414 2.409 10 0 CEAERO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]2CCCO2)cc1 ZINC000183127820 189347330 /nfs/dbraw/zinc/34/73/30/189347330.db2.gz MDNWLBKXSWGLLA-TYNCELHUSA-N 1 0 292.379 2.179 10 0 CEAERO CCn1cc(C2CC[NH+](CCCn3ccnc3)CC2)cn1 ZINC000183170293 189349151 /nfs/dbraw/zinc/34/91/51/189349151.db2.gz MCKCACCNEGLNPV-UHFFFAOYSA-N 1 0 287.411 2.369 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)c1nnc(C(F)(F)F)s1 ZINC000155266484 366813165 /nfs/dbraw/zinc/81/31/65/366813165.db2.gz MGKAYJUWFOVYSN-MRVPVSSYSA-N 1 0 294.346 2.477 10 0 CEAERO C[C@@H]1CC[C@@H](C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)O1 ZINC000155172824 366810214 /nfs/dbraw/zinc/81/02/14/366810214.db2.gz IFLHQTGQKBMXAG-AGIUHOORSA-N 1 0 270.417 2.037 10 0 CEAERO C[NH+](C)C[C@H]1CN(CCc2ccccc2Cl)CCO1 ZINC000155360212 366816859 /nfs/dbraw/zinc/81/68/59/366816859.db2.gz PTCLNTUFKRMCES-AWEZNQCLSA-N 1 0 282.815 2.145 10 0 CEAERO CC(C)(C)[NH2+]CC(=O)Nc1ccc(F)c(F)c1F ZINC000016473565 361489355 /nfs/dbraw/zinc/48/93/55/361489355.db2.gz KBSRWCQUEUJPCY-UHFFFAOYSA-N 1 0 260.259 2.431 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000019424170 361534521 /nfs/dbraw/zinc/53/45/21/361534521.db2.gz FNJYUMFEZCGETN-IINYFYTJSA-N 1 0 278.352 2.160 10 0 CEAERO CC/C=C/CC[NH+]1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000184523444 189388491 /nfs/dbraw/zinc/38/84/91/189388491.db2.gz PNYDEKQWWBIINU-URWSZGRFSA-N 1 0 278.400 2.413 10 0 CEAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(Br)cn1 ZINC000084223995 363803334 /nfs/dbraw/zinc/80/33/34/363803334.db2.gz AYWCERQZCFLUPX-BXKDBHETSA-N 1 0 285.185 2.095 10 0 CEAERO CC(C)[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000088478869 363901089 /nfs/dbraw/zinc/90/10/89/363901089.db2.gz MCQZGLJTZIRLBC-ZDUSSCGKSA-N 1 0 281.400 2.397 10 0 CEAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000089151264 363938067 /nfs/dbraw/zinc/93/80/67/363938067.db2.gz NTVNDUZYKGOXBB-BXKDBHETSA-N 1 0 259.271 2.355 10 0 CEAERO CC(C)Oc1cncc(N[C@@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000089108461 363932407 /nfs/dbraw/zinc/93/24/07/363932407.db2.gz ULPGNYXNVZYLKX-VXGBXAGGSA-N 1 0 264.373 2.193 10 0 CEAERO C[C@@H]1CN(C(=O)Cc2c[nH]c3ccccc23)C[C@H]1[NH+](C)C ZINC000089710172 363994269 /nfs/dbraw/zinc/99/42/69/363994269.db2.gz GSBKBJXBZRLWMI-MLGOLLRUSA-N 1 0 285.391 2.119 10 0 CEAERO Cc1noc([C@@H]2CC[C@H](C[NH2+][C@@H](C)[C@@H]3CCCOC3)O2)n1 ZINC000329996951 202575193 /nfs/dbraw/zinc/57/51/93/202575193.db2.gz PSKXZQHBBWKRIB-ASEORRQLSA-N 1 0 295.383 2.003 10 0 CEAERO Cc1ccccc1OCCCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000237557843 370732514 /nfs/dbraw/zinc/73/25/14/370732514.db2.gz PZPYHIHPESRLPO-CABCVRRESA-N 1 0 290.407 2.398 10 0 CEAERO CCc1ccccc1C[N@@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000189095118 189522582 /nfs/dbraw/zinc/52/25/82/189522582.db2.gz RBHOMLVIIUQALH-MAUKXSAKSA-N 1 0 288.435 2.402 10 0 CEAERO [NH3+][C@H]1CCC[C@H](C(=O)N2CCCC3(CC3)CC2)C1 ZINC000638755523 370727057 /nfs/dbraw/zinc/72/70/57/370727057.db2.gz CFBGYANMLBVLMU-STQMWFEESA-N 1 0 250.386 2.297 10 0 CEAERO [NH3+]C1CCC(C(=O)N2CCCC3(CC3)CC2)CC1 ZINC000638756553 370728013 /nfs/dbraw/zinc/72/80/13/370728013.db2.gz OGPMTFWZACTEBG-UHFFFAOYSA-N 1 0 250.386 2.297 10 0 CEAERO Cc1c(CNCCC[N@H+]2CCCC[C@H]2C)cnn1C ZINC000093649203 364208892 /nfs/dbraw/zinc/20/88/92/364208892.db2.gz XVPTZPLRYODTFR-CYBMUJFWSA-N 1 0 264.417 2.083 10 0 CEAERO Cc1c(CNc2ccc(OCC[NH+](C)C)cc2)cnn1C ZINC000093650035 364210707 /nfs/dbraw/zinc/21/07/07/364210707.db2.gz UXOPXZJIZREGNR-UHFFFAOYSA-N 1 0 288.395 2.281 10 0 CEAERO COc1c(CN(C)CC[C@H]2CCCC[N@@H+]2C)c(C)nn1C ZINC000093660086 364211390 /nfs/dbraw/zinc/21/13/90/364211390.db2.gz NDRDHNDMOSPYGZ-CQSZACIVSA-N 1 0 294.443 2.043 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@H]1CCCC12CC2 ZINC000638794258 370755818 /nfs/dbraw/zinc/75/58/18/370755818.db2.gz CATDTZRKTKNMFA-XQQFMLRXSA-N 1 0 250.386 2.071 10 0 CEAERO CN(CC(C)(C)C[NH3+])c1ncnc2ccsc21 ZINC000093874601 364239251 /nfs/dbraw/zinc/23/92/51/364239251.db2.gz ICFBXQLQJBGDRN-UHFFFAOYSA-N 1 0 250.371 2.112 10 0 CEAERO C[C@](O)(C[N@@H+]1CCN2CCCC[C@@H]2C1)c1ccccc1 ZINC000093952481 364242660 /nfs/dbraw/zinc/24/26/60/364242660.db2.gz VDOVNDXQHKMBAO-SJORKVTESA-N 1 0 274.408 2.064 10 0 CEAERO COC(=O)c1ccc([C@@H](C)N2CC[N@@H+]3CCCC[C@@H]3C2)o1 ZINC000093952667 364243624 /nfs/dbraw/zinc/24/36/24/364243624.db2.gz UTIGHDCGUVFEQY-CHWSQXEVSA-N 1 0 292.379 2.297 10 0 CEAERO Cc1cc(NC[C@@H](CO)Cc2ccccn2)cc[nH+]1 ZINC000302232271 201411335 /nfs/dbraw/zinc/41/13/35/201411335.db2.gz YHTHJOUURXSDLT-ZDUSSCGKSA-N 1 0 257.337 2.048 10 0 CEAERO Clc1nccc(COCCC[C@H]2CCC[NH2+]C2)n1 ZINC000095070321 364329585 /nfs/dbraw/zinc/32/95/85/364329585.db2.gz OJDIRIRGKBPSED-LLVKDONJSA-N 1 0 269.776 2.426 10 0 CEAERO Clc1nccc(COCCC[C@@H]2CCC[NH2+]C2)n1 ZINC000095070320 364329703 /nfs/dbraw/zinc/32/97/03/364329703.db2.gz OJDIRIRGKBPSED-NSHDSACASA-N 1 0 269.776 2.426 10 0 CEAERO Clc1ccnc(OCCCC2CC[NH2+]CC2)n1 ZINC000095070173 364330133 /nfs/dbraw/zinc/33/01/33/364330133.db2.gz WLABHGCTYLTZJB-UHFFFAOYSA-N 1 0 255.749 2.289 10 0 CEAERO CN(Cc1ccnc(Br)c1)C[C@@H]1CCCC[NH2+]1 ZINC000095070864 364330873 /nfs/dbraw/zinc/33/08/73/364330873.db2.gz NQORAHWWGQRAHL-LBPRGKRZSA-N 1 0 298.228 2.418 10 0 CEAERO CSc1nc(Cl)cc(OC[C@H]2CCCC[NH2+]2)n1 ZINC000095071784 364332369 /nfs/dbraw/zinc/33/23/69/364332369.db2.gz YORJNRARVNXMRH-MRVPVSSYSA-N 1 0 273.789 2.373 10 0 CEAERO CSc1nc(Cl)cc(N(C)[C@H]2CCC[NH2+]C2)n1 ZINC000095071736 364332371 /nfs/dbraw/zinc/33/23/71/364332371.db2.gz OMDIPVVDEHXZHB-QMMMGPOBSA-N 1 0 272.805 2.040 10 0 CEAERO CC[C@@H](C)c1ccc(NC(=O)C[NH2+]CCOC)cc1 ZINC000095082286 364335504 /nfs/dbraw/zinc/33/55/04/364335504.db2.gz ZNQOKESKLQQGSG-GFCCVEGCSA-N 1 0 264.369 2.375 10 0 CEAERO COc1ccc(N(C)C(=O)[C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000094648024 364286231 /nfs/dbraw/zinc/28/62/31/364286231.db2.gz SKMBMIOQXDTHCL-BXUZGUMPSA-N 1 0 262.353 2.046 10 0 CEAERO Cc1ccc([C@H](C)[NH2+]CC(=O)NC2CC2)cc1F ZINC000094836940 364301205 /nfs/dbraw/zinc/30/12/05/364301205.db2.gz GGCZBFSUZVSFFT-JTQLQIEISA-N 1 0 250.317 2.063 10 0 CEAERO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000094955613 364314677 /nfs/dbraw/zinc/31/46/77/364314677.db2.gz BBTIQDNWYYPVEU-WDEREUQCSA-N 1 0 295.358 2.019 10 0 CEAERO COC(=O)c1cc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)ccc1Cl ZINC000097093567 364446356 /nfs/dbraw/zinc/44/63/56/364446356.db2.gz FRXSXIOYWJCXEY-DTWKUNHWSA-N 1 0 296.754 2.193 10 0 CEAERO C[C@@H](Nc1cccc(CCCO)c1)[C@@H]1CCC[NH2+]C1 ZINC000582050086 366853782 /nfs/dbraw/zinc/85/37/82/366853782.db2.gz FZGLUTHEIGXGCZ-UKRRQHHQSA-N 1 0 262.397 2.412 10 0 CEAERO COC(=O)[C@H]1CCCC[N@@H+]1C[C@H]1Cc2ccccc21 ZINC000157259168 366842632 /nfs/dbraw/zinc/84/26/32/366842632.db2.gz GPUSTEXKHAUXBJ-UKRRQHHQSA-N 1 0 259.349 2.354 10 0 CEAERO C[C@H](NC(=O)C1(C)C[NH2+]C1)c1ccccc1Br ZINC000335229192 364658289 /nfs/dbraw/zinc/65/82/89/364658289.db2.gz YHQZWMKAJZOFBU-VIFPVBQESA-N 1 0 297.196 2.236 10 0 CEAERO CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H](C)C(C)C ZINC000111442260 364738096 /nfs/dbraw/zinc/73/80/96/364738096.db2.gz PFBAIEASUDBECT-STQMWFEESA-N 1 0 255.406 2.205 10 0 CEAERO C[C@@H]1CN(C(=O)Nc2cccc(Br)c2)C[C@@H]1[NH3+] ZINC000335649000 212365895 /nfs/dbraw/zinc/36/58/95/212365895.db2.gz AVZGORYJHHJKHA-KCJUWKMLSA-N 1 0 298.184 2.260 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nn(C)cc1Cl ZINC000335446158 364746360 /nfs/dbraw/zinc/74/63/60/364746360.db2.gz ZDSYZEJQHCTBMK-VXGBXAGGSA-N 1 0 282.819 2.132 10 0 CEAERO C[C@H]1CN(C(=O)c2csc3c2CCCC3)C[C@@H]1[NH3+] ZINC000335484293 364790285 /nfs/dbraw/zinc/79/02/85/364790285.db2.gz TYGQDBUQOWXSOA-CABZTGNLSA-N 1 0 264.394 2.046 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC[C@@H]1CCCCO1 ZINC000113224093 364876342 /nfs/dbraw/zinc/87/63/42/364876342.db2.gz RLTXQNAFMHACQK-KFWWJZLASA-N 1 0 280.412 2.031 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccccc1F ZINC000113367352 364890510 /nfs/dbraw/zinc/89/05/10/364890510.db2.gz ZYPMOODKVBXFPH-TZMCWYRMSA-N 1 0 291.370 2.204 10 0 CEAERO Cc1oc(-c2ccccc2)nc1CC(=O)N1CCC[C@H]([NH3+])C1 ZINC000195116504 189672112 /nfs/dbraw/zinc/67/21/12/189672112.db2.gz QWNGPSUGWKOQKA-AWEZNQCLSA-N 1 0 299.374 2.142 10 0 CEAERO CC(C)n1nnnc1CN1CCC[C@H]1c1ccco1 ZINC000116296209 365048918 /nfs/dbraw/zinc/04/89/18/365048918.db2.gz KVSNDMVWRFCXJW-NSHDSACASA-N 1 0 261.329 2.184 10 0 CEAERO CCc1nc(C)c(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)o1 ZINC000335918669 365161800 /nfs/dbraw/zinc/16/18/00/365161800.db2.gz IREZTIHNNHYVHV-AAEUAGOBSA-N 1 0 263.385 2.214 10 0 CEAERO CC(C)CN1CCC[C@@H]1C[NH2+][C@H](C)CCn1cccn1 ZINC000159147965 366881671 /nfs/dbraw/zinc/88/16/71/366881671.db2.gz ZKBDYEQKFMNABB-HZPDHXFCSA-N 1 0 278.444 2.372 10 0 CEAERO CC[C@@H]1C[N@H+](C[C@H]2CC=CCC2)CCN1C[C@@H](C)O ZINC000120690631 365461554 /nfs/dbraw/zinc/46/15/54/365461554.db2.gz YPWJXLMPACYTMZ-OWCLPIDISA-N 1 0 266.429 2.120 10 0 CEAERO Cc1cccc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c1C ZINC000121006587 365510869 /nfs/dbraw/zinc/51/08/69/365510869.db2.gz BGGSTHJAUMMVMQ-QGZVFWFLSA-N 1 0 274.408 2.210 10 0 CEAERO COCCN1CC[N@H+](Cc2sccc2C)C[C@H]1C ZINC000120809188 365478401 /nfs/dbraw/zinc/47/84/01/365478401.db2.gz SUXCTLSAGGPMQZ-CYBMUJFWSA-N 1 0 268.426 2.209 10 0 CEAERO CCC[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)OCO2)[NH+](C)C ZINC000161550990 367097363 /nfs/dbraw/zinc/09/73/63/367097363.db2.gz ZUFXQPYELKZQAR-YPMHNXCESA-N 1 0 292.379 2.323 10 0 CEAERO CCC[C@@H](C(=O)NCc1cccc(OCC)c1)[NH+](C)C ZINC000161604905 367099359 /nfs/dbraw/zinc/09/93/59/367099359.db2.gz BDQPGJPXMDFWIZ-HNNXBMFYSA-N 1 0 278.396 2.432 10 0 CEAERO C[C@H]1CN(C(=O)c2ccc(Cl)cc2F)C[C@@H]1C[NH3+] ZINC000638889867 370823112 /nfs/dbraw/zinc/82/31/12/370823112.db2.gz RDOFUQXRLLHRSA-IUCAKERBSA-N 1 0 270.735 2.146 10 0 CEAERO CCC[C@@H](C(=O)N[C@@H](C)CCSCC)[NH+](C)C ZINC000162358296 367154504 /nfs/dbraw/zinc/15/45/04/367154504.db2.gz QQGVYJQSFPKGMM-RYUDHWBXSA-N 1 0 260.447 2.365 10 0 CEAERO Cc1scc(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)c1C ZINC000638901757 370830510 /nfs/dbraw/zinc/83/05/10/370830510.db2.gz WOVOCPSGOTYYSZ-LDYMZIIASA-N 1 0 252.383 2.032 10 0 CEAERO C[NH2+][C@H]1CCN(c2ncc(Cl)cc2Br)C1 ZINC000162825655 367193332 /nfs/dbraw/zinc/19/33/32/367193332.db2.gz QJTJSNQNUXDDGY-QMMMGPOBSA-N 1 0 290.592 2.296 10 0 CEAERO Cc1ccc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1O ZINC000245696200 370858480 /nfs/dbraw/zinc/85/84/80/370858480.db2.gz LAFSQTGKJSORKN-OCCSQVGLSA-N 1 0 276.380 2.159 10 0 CEAERO Cc1cc(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)ccn1 ZINC000245593868 370845742 /nfs/dbraw/zinc/84/57/42/370845742.db2.gz LEBZVWGDEZKOBP-BXUZGUMPSA-N 1 0 276.384 2.240 10 0 CEAERO CC(C)C(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H]([NH3+])C1 ZINC000616569237 367231987 /nfs/dbraw/zinc/23/19/87/367231987.db2.gz HLHXVLHNALXPLK-KBPBESRZSA-N 1 0 264.344 2.125 10 0 CEAERO C[C@H]([NH2+]C1(CO)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000166194262 367319662 /nfs/dbraw/zinc/31/96/62/367319662.db2.gz FYYLJLPQCFVBTR-STQMWFEESA-N 1 0 298.427 2.137 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)NCc2ccc(Cl)s2)C1 ZINC000170830922 367427285 /nfs/dbraw/zinc/42/72/85/367427285.db2.gz LQNGVOZOTUJPBC-VIFPVBQESA-N 1 0 287.816 2.247 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@@H](C)c2ccc(Cl)cn2)C1 ZINC000681395100 541545911 /nfs/dbraw/zinc/54/59/11/541545911.db2.gz NDHFRMHTVUFWGZ-AAEUAGOBSA-N 1 0 283.803 2.106 10 0 CEAERO C[C@H](Cc1ccccc1F)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170833328 367427877 /nfs/dbraw/zinc/42/78/77/367427877.db2.gz GMUQUNRFSJATGL-OCCSQVGLSA-N 1 0 293.386 2.102 10 0 CEAERO COc1nc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cc2ccccc21 ZINC000170855187 367431471 /nfs/dbraw/zinc/43/14/71/367431471.db2.gz XLAORAXVFNVJMM-CYBMUJFWSA-N 1 0 299.374 2.020 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)Oc2ccc(F)cc2)C1 ZINC000170856069 367432504 /nfs/dbraw/zinc/43/25/04/367432504.db2.gz RMWFPRMKVSVUKT-CYBMUJFWSA-N 1 0 294.370 2.146 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)CCc2cccc(F)c2F)C1 ZINC000170863920 367434966 /nfs/dbraw/zinc/43/49/66/367434966.db2.gz NCPFDDBMNXCNHD-LBPRGKRZSA-N 1 0 282.334 2.060 10 0 CEAERO CCCOc1cccc(C(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000170865720 367435980 /nfs/dbraw/zinc/43/59/80/367435980.db2.gz UILSRSTZZCLCPE-AWEZNQCLSA-N 1 0 276.380 2.252 10 0 CEAERO Cc1ccc(CCCC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000170865400 367436511 /nfs/dbraw/zinc/43/65/11/367436511.db2.gz PIOWBDDSCWPBDY-INIZCTEOSA-N 1 0 274.408 2.480 10 0 CEAERO Cc1ccc2oc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)cc2n1 ZINC000171471224 367550287 /nfs/dbraw/zinc/55/02/87/367550287.db2.gz ILJZYSGHCRTDES-GFCCVEGCSA-N 1 0 285.347 2.056 10 0 CEAERO COCCCCC[N@@H+]1CCC[C@H](Cc2noc(C)n2)C1 ZINC000171503433 367555691 /nfs/dbraw/zinc/55/56/91/367555691.db2.gz HZHHQCKNKMRMFN-CQSZACIVSA-N 1 0 281.400 2.449 10 0 CEAERO COC[C@@H](C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000171523324 367561100 /nfs/dbraw/zinc/56/11/00/367561100.db2.gz FMJCIZCPXGHBAR-CQSZACIVSA-N 1 0 290.407 2.181 10 0 CEAERO COc1ccc(CN2C[C@@H](C)[C@@H](C[NH3+])C2)cc1Cl ZINC000631838585 367578401 /nfs/dbraw/zinc/57/84/01/367578401.db2.gz QTGAPVJSWHOFAL-PWSUYJOCSA-N 1 0 268.788 2.375 10 0 CEAERO C[C@H]1CN(Cc2cc(Cl)c3c(c2)OCCO3)C[C@H]1C[NH3+] ZINC000631843076 367585046 /nfs/dbraw/zinc/58/50/46/367585046.db2.gz JDOLHCJQPWLNSV-CMPLNLGQSA-N 1 0 296.798 2.138 10 0 CEAERO O=C(c1cc(Cl)c(Cl)[nH]1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171585685 367572580 /nfs/dbraw/zinc/57/25/80/367572580.db2.gz JQGGTGOESGKUAQ-MRVPVSSYSA-N 1 0 288.178 2.242 10 0 CEAERO O=C(N1CC[N@@H+]2CCC[C@@H]2C1)C1(c2ccccc2)CCC1 ZINC000171585944 367573069 /nfs/dbraw/zinc/57/30/69/367573069.db2.gz CWQNSQGORBRODK-MRXNPFEDSA-N 1 0 284.403 2.415 10 0 CEAERO C[Si](C)(C)C[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000171736273 367605241 /nfs/dbraw/zinc/60/52/41/367605241.db2.gz NTZNLEWXERWRIM-SNVBAGLBSA-N 1 0 256.447 2.394 10 0 CEAERO C[C@@H](Cc1cccs1)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171901162 367635523 /nfs/dbraw/zinc/63/55/23/367635523.db2.gz ONATWCXXFCYQOO-QWHCGFSZSA-N 1 0 293.436 2.169 10 0 CEAERO CC(C)n1ccnc1C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000172057853 367664810 /nfs/dbraw/zinc/66/48/10/367664810.db2.gz MEIDZSKUXJLOJD-ZDUSSCGKSA-N 1 0 273.384 2.187 10 0 CEAERO Cc1cccc2nc(C[N@H+]3CC[C@H](c4cnn(C)c4)C3)cn21 ZINC000172053149 367665767 /nfs/dbraw/zinc/66/57/67/367665767.db2.gz IVQDFTHELQLASK-AWEZNQCLSA-N 1 0 295.390 2.366 10 0 CEAERO Cc1ccc(CC[N@@H+]2CCC[C@@H](n3cncn3)C2)cc1 ZINC000172417728 367738250 /nfs/dbraw/zinc/73/82/50/367738250.db2.gz FMPQGQIICFPDQI-MRXNPFEDSA-N 1 0 270.380 2.466 10 0 CEAERO CC(C)(C)OC[C@H](O)CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000172434786 367742928 /nfs/dbraw/zinc/74/29/28/367742928.db2.gz AMIWFCLFNHQYRI-MRXNPFEDSA-N 1 0 298.471 2.113 10 0 CEAERO Cc1ccc(CN2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c(C)c1 ZINC000245744375 370868866 /nfs/dbraw/zinc/86/88/66/370868866.db2.gz MMLCDDJZXSFSOC-CVEARBPZSA-N 1 0 276.424 2.190 10 0 CEAERO CCOCC[N@@H+]1CCN(C(=O)[C@@H](C)C(C)C)C[C@H]1CC ZINC000172297329 367712783 /nfs/dbraw/zinc/71/27/83/367712783.db2.gz KJWCPYHPYMJDLL-LSDHHAIUSA-N 1 0 284.444 2.238 10 0 CEAERO CCOC(=O)c1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)o1 ZINC000245791424 370873884 /nfs/dbraw/zinc/87/38/84/370873884.db2.gz WDOGPPCXVINPIL-CHWSQXEVSA-N 1 0 292.379 2.125 10 0 CEAERO COc1c(C[N@H+](C)[C@H]2C[C@](C)(OC)C2(C)C)c(C)nn1C ZINC000245810944 370875114 /nfs/dbraw/zinc/87/51/14/370875114.db2.gz ZJMNOUOTKDOLAH-BBRMVZONSA-N 1 0 295.427 2.373 10 0 CEAERO CCc1nnc(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)n1C ZINC000172852742 367828354 /nfs/dbraw/zinc/82/83/54/367828354.db2.gz YSUNZWZWLHGWTD-HNNXBMFYSA-N 1 0 284.407 2.442 10 0 CEAERO C[C@@H]1CC[C@@H](C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)O1 ZINC000245974378 370896132 /nfs/dbraw/zinc/89/61/32/370896132.db2.gz GAIUHFZHZQUMRA-NYTXWWLZSA-N 1 0 282.428 2.181 10 0 CEAERO C[C@@H]1CC[C@H](C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)O1 ZINC000245974372 370896145 /nfs/dbraw/zinc/89/61/45/370896145.db2.gz GAIUHFZHZQUMRA-KQTLUZQSSA-N 1 0 282.428 2.181 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccccc1 ZINC000173333915 367898849 /nfs/dbraw/zinc/89/88/49/367898849.db2.gz NETKXFFWUPSREI-HZPDHXFCSA-N 1 0 287.407 2.455 10 0 CEAERO Cn1cc([C@@H]2CC[N@H+](Cc3cccc(Cl)n3)C2)cn1 ZINC000173761409 367941730 /nfs/dbraw/zinc/94/17/30/367941730.db2.gz ZCROLMOCRXZYCH-LLVKDONJSA-N 1 0 276.771 2.458 10 0 CEAERO Cc1cnc(CN2CC[C@@H](CNc3ccccn3)C2)o1 ZINC000173779079 367943355 /nfs/dbraw/zinc/94/33/55/367943355.db2.gz DZWDSZNJTWDTFO-ZDUSSCGKSA-N 1 0 272.352 2.312 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H](C)c1cccnc1 ZINC000174290874 368006358 /nfs/dbraw/zinc/00/63/58/368006358.db2.gz LZRAHIILCGVBKE-DZGCQCFKSA-N 1 0 277.412 2.278 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)c1ccnc(C2CC2)n1 ZINC000175166797 368108042 /nfs/dbraw/zinc/10/80/42/368108042.db2.gz JQDMKTMFYCQVBZ-ZDUSSCGKSA-N 1 0 260.385 2.275 10 0 CEAERO CC[N@@H+]1CC[C@H](N(C)Cc2nnc(C(C)C)n2C)[C@H](C)C1 ZINC000175732556 368170657 /nfs/dbraw/zinc/17/06/57/368170657.db2.gz MWFSODWSUPIODK-KGLIPLIRSA-N 1 0 293.459 2.101 10 0 CEAERO C[C@@H](COCc1ccccc1)[NH2+][C@@H](C)Cn1cccn1 ZINC000345160206 368174449 /nfs/dbraw/zinc/17/44/49/368174449.db2.gz JTSAYHUAOWUFTN-GJZGRUSLSA-N 1 0 273.380 2.467 10 0 CEAERO CC[C@H](Oc1cccc(C)c1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000176454924 368241617 /nfs/dbraw/zinc/24/16/17/368241617.db2.gz VMPKDQXGPWGFQS-HOCLYGCPSA-N 1 0 290.407 2.315 10 0 CEAERO Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H](O)C(C)(C)C)o1 ZINC000304013806 201624089 /nfs/dbraw/zinc/62/40/89/201624089.db2.gz CCPUKOWTGNAUBY-CYBMUJFWSA-N 1 0 277.368 2.475 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccnn1C(C)C ZINC000176269752 368218656 /nfs/dbraw/zinc/21/86/56/368218656.db2.gz CFYCNJRJLGVOMH-CYBMUJFWSA-N 1 0 293.415 2.412 10 0 CEAERO CCc1oc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1C ZINC000177549448 368272811 /nfs/dbraw/zinc/27/28/11/368272811.db2.gz CLJUXVGWGLKVGL-LBPRGKRZSA-N 1 0 262.353 2.071 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)Cc1cccc(C(F)(F)F)c1 ZINC000335500187 212179543 /nfs/dbraw/zinc/17/95/43/212179543.db2.gz NYAIUDUFVNVPPQ-BXKDBHETSA-N 1 0 286.297 2.196 10 0 CEAERO O=C(N[C@@H]1CCCc2sccc21)[C@H]1CCC[NH2+]C1 ZINC000061365743 284048053 /nfs/dbraw/zinc/04/80/53/284048053.db2.gz OFWZTLMSPAQISD-CMPLNLGQSA-N 1 0 264.394 2.241 10 0 CEAERO O=C(N[C@@H]1CCCc2occc21)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247655521 284046210 /nfs/dbraw/zinc/04/62/10/284046210.db2.gz YFRWGUAXVKOUDK-GXTWGEPZSA-N 1 0 289.379 2.147 10 0 CEAERO CCc1sc(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)cc1C ZINC000335483083 212158402 /nfs/dbraw/zinc/15/84/02/212158402.db2.gz JUWUHEPBUZLXAZ-VHSXEESVSA-N 1 0 252.383 2.038 10 0 CEAERO Cn1cc([C@H]2CCC[N@@H+]2Cc2ccc(CO)cc2)cn1 ZINC000182745075 368585175 /nfs/dbraw/zinc/58/51/75/368585175.db2.gz JFDQFQFOYRMEBE-MRXNPFEDSA-N 1 0 271.364 2.250 10 0 CEAERO C[C@@H](c1cnccn1)N1CCC[C@@H]1c1cnn(C)c1 ZINC000184511398 368699638 /nfs/dbraw/zinc/69/96/38/368699638.db2.gz UMFOACZABCFIFU-SMDDNHRTSA-N 1 0 257.341 2.108 10 0 CEAERO CCC1(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)CCCCC1 ZINC000184117407 368672325 /nfs/dbraw/zinc/67/23/25/368672325.db2.gz BAMOGWJTULQRDZ-AWEZNQCLSA-N 1 0 282.428 2.136 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cnccn2)C12CCOCC2 ZINC000185005443 368735577 /nfs/dbraw/zinc/73/55/77/368735577.db2.gz JXQULDOZUFBOQX-NWANDNLSSA-N 1 0 291.395 2.101 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@@H](O)c1ccccc1F ZINC000246205220 370927732 /nfs/dbraw/zinc/92/77/32/370927732.db2.gz YFEXWSWIEVHPJD-CKEIUWERSA-N 1 0 292.398 2.418 10 0 CEAERO C[C@H]1C[C@@H]1NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000246133481 370913354 /nfs/dbraw/zinc/91/33/54/370913354.db2.gz PSJSOOAWUQWMQO-XGUBFFRZSA-N 1 0 281.444 2.452 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)CCO[C@H](C)CC(C)C)C1 ZINC000246138259 370914088 /nfs/dbraw/zinc/91/40/88/370914088.db2.gz DZFIZKCIIFBHQE-HUUCEWRRSA-N 1 0 284.444 2.428 10 0 CEAERO CO[C@@H]1CCC[N@H+](C[C@@H](O)COc2cc(C)ccc2C)C1 ZINC000246144095 370915443 /nfs/dbraw/zinc/91/54/43/370915443.db2.gz RWKWBVYSVUMYIP-HZPDHXFCSA-N 1 0 293.407 2.154 10 0 CEAERO CC(C)C[C@H](C)OCCC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246167211 370918553 /nfs/dbraw/zinc/91/85/53/370918553.db2.gz KIBWRQHODRBWHV-GJZGRUSLSA-N 1 0 282.428 2.134 10 0 CEAERO CN(C)c1noc(C[N@@H+]2CCC[C@H]2Cc2ccccc2)n1 ZINC000185236834 368773399 /nfs/dbraw/zinc/77/33/99/368773399.db2.gz MVSKHZNDGUABQG-AWEZNQCLSA-N 1 0 286.379 2.343 10 0 CEAERO CN1CCO[C@H](C[NH2+]CCCC2CCCCC2)C1 ZINC000348049129 368874456 /nfs/dbraw/zinc/87/44/56/368874456.db2.gz UVGYFWARQKLNKO-OAHLLOKOSA-N 1 0 254.418 2.267 10 0 CEAERO [NH3+][C@H]1CCC[C@@H](C(=O)N2CCCC(F)(F)CC2)C1 ZINC000634737222 368850155 /nfs/dbraw/zinc/85/01/55/368850155.db2.gz LSRDIBXOCMNELI-MNOVXSKESA-N 1 0 260.328 2.152 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]CCc2ccccn2)C12CCOCC2 ZINC000186198995 368935360 /nfs/dbraw/zinc/93/53/60/368935360.db2.gz QWRQOTCZKVQOEX-JKSUJKDBSA-N 1 0 290.407 2.188 10 0 CEAERO CCO[C@H]1C[C@H]([NH2+]CCCCCOC)C12CCOCC2 ZINC000186297801 368952754 /nfs/dbraw/zinc/95/27/54/368952754.db2.gz QZCVPJOLWRKHLV-GJZGRUSLSA-N 1 0 285.428 2.367 10 0 CEAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NCc1ccon1 ZINC000634975361 369006588 /nfs/dbraw/zinc/00/65/88/369006588.db2.gz WWJWMLDFZUOEOB-ZDUSSCGKSA-N 1 0 259.353 2.285 10 0 CEAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C1CCSCC1)CC2 ZINC000187328590 369139695 /nfs/dbraw/zinc/13/96/95/369139695.db2.gz OEYYMKSHTQWKMY-AAEUAGOBSA-N 1 0 294.468 2.277 10 0 CEAERO CNC(=O)[C@H]([NH2+]CCCCc1ccccc1)C(C)C ZINC000187429108 369159576 /nfs/dbraw/zinc/15/95/76/369159576.db2.gz BDUANAYYKFNRDJ-OAHLLOKOSA-N 1 0 262.397 2.370 10 0 CEAERO COCC1=CC[N@H+](C[C@](C)(O)c2ccccc2)CC1 ZINC000187692963 369204191 /nfs/dbraw/zinc/20/41/91/369204191.db2.gz XCMOFOFIVJMLIU-INIZCTEOSA-N 1 0 261.365 2.173 10 0 CEAERO C[C@@H](NC(=O)N1CC[C@H](C[NH+](C)C)C1)c1cccs1 ZINC000187792634 369223814 /nfs/dbraw/zinc/22/38/14/369223814.db2.gz HTSHVIRIMMLXHI-VXGBXAGGSA-N 1 0 281.425 2.402 10 0 CEAERO CN(C(=O)[C@H]1Cc2ccccc2S1)[C@H]1CCC[NH2+]CC1 ZINC000231477275 189813578 /nfs/dbraw/zinc/81/35/78/189813578.db2.gz QEEGOWOULPQRCW-DZGCQCFKSA-N 1 0 290.432 2.304 10 0 CEAERO COc1c(C[N@@H+]2CCS[C@@H](C)CC2)c(C)nn1C ZINC000190696290 369645559 /nfs/dbraw/zinc/64/55/59/369645559.db2.gz PREXRQMJGHXMGS-JTQLQIEISA-N 1 0 269.414 2.065 10 0 CEAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1csc(Cl)c1 ZINC000191353530 369705415 /nfs/dbraw/zinc/70/54/15/369705415.db2.gz XAENHSOLVZHJMG-MWLCHTKSSA-N 1 0 274.817 2.383 10 0 CEAERO CCCCOC[C@@H](O)C[NH2+][C@@H](C)c1ncc(C)s1 ZINC000193242949 369910390 /nfs/dbraw/zinc/91/03/90/369910390.db2.gz NBMVIOZPSNLKSK-RYUDHWBXSA-N 1 0 272.414 2.280 10 0 CEAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@@H]1CCC=CO1 ZINC000194042995 370001728 /nfs/dbraw/zinc/00/17/28/370001728.db2.gz BFSPXHYWJCMESJ-GJZGRUSLSA-N 1 0 261.369 2.349 10 0 CEAERO CCCCOC[C@H](O)C[N@@H+]1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000195205143 370113975 /nfs/dbraw/zinc/11/39/75/370113975.db2.gz VGOMHHSSFZLCLU-HUUCEWRRSA-N 1 0 295.427 2.341 10 0 CEAERO C[C@H](CC[N@@H+]1CCCNC(=O)[C@H]1C)c1ccccc1 ZINC000194848725 370079997 /nfs/dbraw/zinc/07/99/97/370079997.db2.gz LQCHMSWTBXLYIM-ZIAGYGMSSA-N 1 0 260.381 2.391 10 0 CEAERO [NH3+]C[C@H]1CCCN1C(=O)c1ccc(F)c(Cl)c1 ZINC000212922295 370167299 /nfs/dbraw/zinc/16/72/99/370167299.db2.gz XRZKESHMFWHUFR-SECBINFHSA-N 1 0 256.708 2.042 10 0 CEAERO C[C@@](O)(C[NH+]1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000195309800 370124485 /nfs/dbraw/zinc/12/44/85/370124485.db2.gz LWVXJSCBQKCJAO-GOSISDBHSA-N 1 0 297.402 2.111 10 0 CEAERO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCNC2=O)c2ccccc21 ZINC000211852829 370163154 /nfs/dbraw/zinc/16/31/54/370163154.db2.gz DKGPFSGAHKAXEN-KCPJHIHWSA-N 1 0 258.365 2.493 10 0 CEAERO [NH3+]C[C@@H]1c2ccccc2CCN1c1ccc(F)cn1 ZINC000227724650 370382247 /nfs/dbraw/zinc/38/22/47/370382247.db2.gz MFJBYFGLHLEJOT-CQSZACIVSA-N 1 0 257.312 2.283 10 0 CEAERO CCC[C@@H]1C[C@@H]1NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000227806474 370384790 /nfs/dbraw/zinc/38/47/90/370384790.db2.gz KTGHGAXWDJAKBP-WPGHFRTFSA-N 1 0 285.391 2.343 10 0 CEAERO Cc1cnccc1CN1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000230709436 370466367 /nfs/dbraw/zinc/46/63/67/370466367.db2.gz RQGJAZUUKMHOBM-HOCLYGCPSA-N 1 0 259.397 2.449 10 0 CEAERO CC(C)c1cccc(NC(=O)CN2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000232787454 370511646 /nfs/dbraw/zinc/51/16/46/370511646.db2.gz XYMBCVZIGPQNQV-WFASDCNBSA-N 1 0 275.396 2.028 10 0 CEAERO COc1ccc(CN(C)[C@H]2CCC[NH2+]CC2)c(OC)c1 ZINC000231460810 370480840 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ZINC000324383784 376840544 /nfs/dbraw/zinc/84/05/44/376840544.db2.gz XCVPDIOAGDWGQM-KBPBESRZSA-N 1 0 251.370 2.371 10 0 CEAERO CCCCOC[C@H](O)C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000325022483 376841881 /nfs/dbraw/zinc/84/18/81/376841881.db2.gz IZRMHIWPOVHMAM-HUUCEWRRSA-N 1 0 255.402 2.332 10 0 CEAERO CC(C)=CC(=O)N1CC[C@H](c2ccccc2)[C@@H]([NH3+])C1 ZINC000616568468 542153837 /nfs/dbraw/zinc/15/38/37/542153837.db2.gz BQCFCGKSRVPBHT-CABCVRRESA-N 1 0 258.365 2.296 10 0 CEAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cc(C(=O)OC)c(C)n1C ZINC000291095025 377067477 /nfs/dbraw/zinc/06/74/77/377067477.db2.gz YPBJFSQHGBAEIA-BXUZGUMPSA-N 1 0 264.369 2.398 10 0 CEAERO CC[N@H+](C[C@@H](C)OC)C[C@@](C)(O)c1ccccc1 ZINC000291357493 377188720 /nfs/dbraw/zinc/18/87/20/377188720.db2.gz YNFWQFLZQFEAKX-UKRRQHHQSA-N 1 0 251.370 2.251 10 0 CEAERO CSCc1cnc(C[NH2+][C@@H]2CCO[C@H]2C)s1 ZINC000293146229 377446901 /nfs/dbraw/zinc/44/69/01/377446901.db2.gz DIECQSRIXJGJMY-WCBMZHEXSA-N 1 0 258.412 2.273 10 0 CEAERO C(=C\[C@@H]1CCOC1)\c1nc(CC23CCC[NH+]2CCC3)no1 ZINC000428350789 377490493 /nfs/dbraw/zinc/49/04/93/377490493.db2.gz BKBSOAZNNMLCRD-DHCBQETCSA-N 1 0 289.379 2.290 10 0 CEAERO Clc1cnc(NCCCN2CC[NH2+]CC2)c(Cl)c1 ZINC000035057793 249298512 /nfs/dbraw/zinc/29/85/12/249298512.db2.gz WZGMZUJUKBNTKP-UHFFFAOYSA-N 1 0 289.210 2.096 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCOCC1CCCC1 ZINC000313718065 249399064 /nfs/dbraw/zinc/39/90/64/249399064.db2.gz OCIJMQRSQLCODE-ZBFHGGJFSA-N 1 0 266.429 2.362 10 0 CEAERO OCC[C@@H]1CSCC[N@@H+]1C[C@H]1Cc2ccccc21 ZINC000347051501 218106389 /nfs/dbraw/zinc/10/63/89/218106389.db2.gz KLRUGXZZBXLVHN-ZIAGYGMSSA-N 1 0 263.406 2.126 10 0 CEAERO OCC[C@@H]1CC[N@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000300000035 379151217 /nfs/dbraw/zinc/15/12/17/379151217.db2.gz OSKUFZLFJJDWGX-UONOGXRCSA-N 1 0 253.386 2.183 10 0 CEAERO CCc1cnc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)s1 ZINC000300419120 379171854 /nfs/dbraw/zinc/17/18/54/379171854.db2.gz PHMOEMHLSKNMJA-NEPJUHHUSA-N 1 0 265.426 2.374 10 0 CEAERO Cc1cccnc1/C=C\C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000492629471 380633864 /nfs/dbraw/zinc/63/38/64/380633864.db2.gz ZBGAOIRROCJRPZ-XAQJJABOSA-N 1 0 285.391 2.098 10 0 CEAERO CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC(c2nccs2)CC1 ZINC000334593057 380649754 /nfs/dbraw/zinc/64/97/54/380649754.db2.gz NLYXVQPJKXSEJN-CHWSQXEVSA-N 1 0 293.436 2.237 10 0 CEAERO C[C@H]([NH2+]CCCCCn1cccn1)[C@@H]1CCCO1 ZINC000183154514 542287280 /nfs/dbraw/zinc/28/72/80/542287280.db2.gz YQGNNXBLNGPWRS-KBPBESRZSA-N 1 0 251.374 2.211 10 0 CEAERO C[C@@H]1CN(Cc2ccc(Br)o2)C[C@@H]1[NH+](C)C ZINC000289178153 197254788 /nfs/dbraw/zinc/25/47/88/197254788.db2.gz AFPDFAAJPUJXKB-KOLCDFICSA-N 1 0 287.201 2.424 10 0 CEAERO C[C@@H](O)C[N@@H+]1CCN(Cc2cccc3cnccc32)C[C@@H]1C ZINC000183276925 542290572 /nfs/dbraw/zinc/29/05/72/542290572.db2.gz XJRSRLRMYPRMJR-LSDHHAIUSA-N 1 0 299.418 2.122 10 0 CEAERO CC1(C)CN(C(=O)NC[C@H]2CCCCS2)CC[C@H]1[NH3+] ZINC000334951555 207344830 /nfs/dbraw/zinc/34/48/30/207344830.db2.gz QWJJQRUDQBSDTH-VXGBXAGGSA-N 1 0 285.457 2.041 10 0 CEAERO CCS(=O)(=O)CC[C@H]1CCc2ccccc2[C@@H]1[NH3+] ZINC000049851857 184564994 /nfs/dbraw/zinc/56/49/94/184564994.db2.gz VCDVRTHNCIHQDI-TZMCWYRMSA-N 1 0 267.394 2.074 10 0 CEAERO C[C@@]([NH3+])(CCCC[NH+]1CCc2ccccc2CC1)C(=O)[O-] ZINC000079574940 184593572 /nfs/dbraw/zinc/59/35/72/184593572.db2.gz RJISKKBHKYCIII-QGZVFWFLSA-N 1 0 290.407 2.060 10 0 CEAERO CCNC(=O)[C@H](C)Sc1ccc([C@@H](C)[NH3+])cc1 ZINC000079578009 184594178 /nfs/dbraw/zinc/59/41/78/184594178.db2.gz WZTZXMFGYWKQLB-ZJUUUORDSA-N 1 0 252.383 2.323 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(S[C@@H](C)C(=O)NCCOC)cc1 ZINC000079579895 184594267 /nfs/dbraw/zinc/59/42/67/184594267.db2.gz NQCNYHCPVCNYRF-RYUDHWBXSA-N 1 0 296.436 2.210 10 0 CEAERO CCNC(=O)NC(=O)[C@@H](C)Sc1ccc([C@@H](C)[NH3+])cc1 ZINC000079577216 184594274 /nfs/dbraw/zinc/59/42/74/184594274.db2.gz KOJVARLKSDWQLH-NXEZZACHSA-N 1 0 295.408 2.033 10 0 CEAERO COc1ccc([C@H](C)[NH3+])cc1CSc1nc[nH]n1 ZINC000081851155 184597266 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Cc1cc(C)cc(OCCN(C)C(=O)[C@H]2CC[NH2+][C@H]2C)c1 ZINC000092953890 184637337 /nfs/dbraw/zinc/63/73/37/184637337.db2.gz RNGNZXWVCIFWRF-HOCLYGCPSA-N 1 0 290.407 2.139 10 0 CEAERO CCC[C@@H](C[NH3+])[C@@H](O)c1cccc(OC)c1OC ZINC000093080756 184647243 /nfs/dbraw/zinc/64/72/43/184647243.db2.gz VKXXRTHQMZXXSR-GXFFZTMASA-N 1 0 253.342 2.112 10 0 CEAERO O=S1(=O)CCC([NH2+]Cc2ccc(C3CC3)cc2)CC1 ZINC000094518375 285052720 /nfs/dbraw/zinc/05/27/20/285052720.db2.gz IBDQWOOPKKFNIA-UHFFFAOYSA-N 1 0 279.405 2.231 10 0 CEAERO COc1ccc(C(N)=O)cc1N[C@H](C)C[C@@H]1CCCC[NH2+]1 ZINC000093485699 184683208 /nfs/dbraw/zinc/68/32/08/184683208.db2.gz VCGPZZDIZAUDQF-YPMHNXCESA-N 1 0 291.395 2.127 10 0 CEAERO C[C@@]1(c2cnccn2)CNC(=[NH2+])N1c1ccc(Cl)cc1 ZINC000093390363 184670230 /nfs/dbraw/zinc/67/02/30/184670230.db2.gz LJIOHFVPTDZFEO-AWEZNQCLSA-N 1 0 287.754 2.180 10 0 CEAERO [NH2+]=C1NC[C@]2(CCSc3ccccc32)N1CC1CC1 ZINC000093393996 184670260 /nfs/dbraw/zinc/67/02/60/184670260.db2.gz FFBYHOPKPSKYMI-HNNXBMFYSA-N 1 0 273.405 2.418 10 0 CEAERO COCCN(CC(C)C)c1cccc(F)c1C(N)=[NH2+] ZINC000093408829 184671779 /nfs/dbraw/zinc/67/17/79/184671779.db2.gz LLUVJERMDDVKGG-UHFFFAOYSA-N 1 0 267.348 2.219 10 0 CEAERO C[C@H](C[C@H]1CCC[NH2+]1)Nc1ccc(Cn2cncn2)cc1 ZINC000093463144 184678894 /nfs/dbraw/zinc/67/88/94/184678894.db2.gz GMXYLMYZALIVRW-CZUORRHYSA-N 1 0 285.395 2.269 10 0 CEAERO CCCS(=O)(=O)[C@H]1C[C@H](C(C)C)CC[C@@H]1[NH2+]C ZINC000081941145 177904577 /nfs/dbraw/zinc/90/45/77/177904577.db2.gz UKQKUIUCKIUITL-AGIUHOORSA-N 1 0 261.431 2.224 10 0 CEAERO CC[C@H](C)S(=O)(=O)Cc1cc([C@@H](C)[NH3+])ccc1OC ZINC000081936636 177902454 /nfs/dbraw/zinc/90/24/54/177902454.db2.gz XNDCTBLCHHFGSI-WDEREUQCSA-N 1 0 285.409 2.428 10 0 CEAERO C[NH2+][C@@H]1CCCCC[C@@H]1S(=O)(=O)c1cccs1 ZINC000081927255 177899301 /nfs/dbraw/zinc/89/93/01/177899301.db2.gz PYWQMYPEURFLLN-MNOVXSKESA-N 1 0 273.423 2.443 10 0 CEAERO CCS(=O)(=O)C[C@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000081925985 177898975 /nfs/dbraw/zinc/89/89/75/177898975.db2.gz VFVFDWULQVNWIA-JTQLQIEISA-N 1 0 281.299 2.140 10 0 CEAERO CC[NH2+][C@H](CS(=O)(=O)c1ccc(C)cc1)C1CC1 ZINC000081920884 177895041 /nfs/dbraw/zinc/89/50/41/177895041.db2.gz ZQTABPZDZLKOSN-CQSZACIVSA-N 1 0 267.394 2.157 10 0 CEAERO [NH3+][C@@H]1CCOC[C@H]1Sc1ncccc1Br ZINC000081894483 177879753 /nfs/dbraw/zinc/87/97/53/177879753.db2.gz UCRDQYJRJVBBOI-RKDXNWHRSA-N 1 0 289.198 2.052 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2CC[C@H]1SCCO ZINC000081797997 177862968 /nfs/dbraw/zinc/86/29/68/177862968.db2.gz DDWXHIYXJDGCPG-KGLIPLIRSA-N 1 0 251.395 2.378 10 0 CEAERO O=C(CC1C[NH2+]C1)Nc1cccc(-n2cccc2)c1 ZINC000081748826 177853449 /nfs/dbraw/zinc/85/34/49/177853449.db2.gz XGKBYSXBFGRXOK-UHFFFAOYSA-N 1 0 255.321 2.025 10 0 CEAERO COc1ccccc1CN(C)c1cccc(C(N)=[NH2+])n1 ZINC000081620735 177832724 /nfs/dbraw/zinc/83/27/24/177832724.db2.gz DFKBHLRKTQGAAD-UHFFFAOYSA-N 1 0 270.336 2.011 10 0 CEAERO CC(C)[C@H](C)CNS(=O)(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000081070565 177764910 /nfs/dbraw/zinc/76/49/10/177764910.db2.gz RPIDHFIABHUJHD-NEPJUHHUSA-N 1 0 284.425 2.277 10 0 CEAERO O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccoc2)N1c1cccnc1 ZINC000248070198 256692838 /nfs/dbraw/zinc/69/28/38/256692838.db2.gz XRPHYGJKEHJKII-HZPDHXFCSA-N 1 0 297.358 2.445 10 0 CEAERO O=C([C@@H]1CCCCC[NH2+]1)N1CCC[C@H]1c1ccncc1 ZINC000080994183 177749892 /nfs/dbraw/zinc/74/98/92/177749892.db2.gz AIUZLOBDQLKQRU-GJZGRUSLSA-N 1 0 273.380 2.277 10 0 CEAERO C[C@H]1C[N@H+](C)C[C@@]1(O)c1ccc(Br)cc1 ZINC000521401981 256845384 /nfs/dbraw/zinc/84/53/84/256845384.db2.gz UPXSLLBSSCNPTI-CABZTGNLSA-N 1 0 270.170 2.218 10 0 CEAERO COC(C[NH2+]Cc1cccc2c1OC(C)(C)C2)OC ZINC000080508900 177660110 /nfs/dbraw/zinc/66/01/10/177660110.db2.gz WHQQLIDGFIYXQK-UHFFFAOYSA-N 1 0 265.353 2.109 10 0 CEAERO O[C@H](C[C@H]1CCCCC[NH2+]1)c1ccc2c(c1)OCCO2 ZINC000093517449 184687235 /nfs/dbraw/zinc/68/72/35/184687235.db2.gz XYAOVCRBAXNFRS-ZIAGYGMSSA-N 1 0 277.364 2.414 10 0 CEAERO CCC[NH2+][C@H](COCCC)[C@@](C)(CC)N1CCOCC1 ZINC000093550233 184689059 /nfs/dbraw/zinc/68/90/59/184689059.db2.gz JQTYRQWWNOKDEY-HZPDHXFCSA-N 1 0 286.460 2.282 10 0 CEAERO Cc1cnn(CC[C@@H]2CCC[C@]2(CO)[NH2+]C(C)C)c1 ZINC000093618799 184696713 /nfs/dbraw/zinc/69/67/13/184696713.db2.gz OAWGGSUZAHJAEP-LSDHHAIUSA-N 1 0 265.401 2.111 10 0 CEAERO OC[C@]1([NH2+]C2CC2)CCC[C@H]1CCOCC(F)(F)F ZINC000093620718 184697163 /nfs/dbraw/zinc/69/71/63/184697163.db2.gz ULBFCHAOLSKOJM-CMPLNLGQSA-N 1 0 281.318 2.239 10 0 CEAERO CCOc1ccc(OCC[C@H]2CCC[C@]2([NH3+])CO)cc1 ZINC000093621046 184697230 /nfs/dbraw/zinc/69/72/30/184697230.db2.gz MVEILUABLFBTSB-CJNGLKHVSA-N 1 0 279.380 2.344 10 0 CEAERO CCOc1ccccc1OCC[C@@H]1CCC[C@@]1([NH3+])CO ZINC000093621099 184697332 /nfs/dbraw/zinc/69/73/32/184697332.db2.gz LWGDOMWCADKCIR-XJKSGUPXSA-N 1 0 279.380 2.344 10 0 CEAERO Cc1ccccc1CS(=O)(=O)CC[C@H]1CCC[C@@H]1[NH3+] ZINC000093623888 184697594 /nfs/dbraw/zinc/69/75/94/184697594.db2.gz WJUVJDSTIVEDHF-HIFRSBDPSA-N 1 0 281.421 2.427 10 0 CEAERO CC[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCSCC(C)C ZINC000093626715 184697999 /nfs/dbraw/zinc/69/79/99/184697999.db2.gz PBRBJPIKHVYSSW-TZMCWYRMSA-N 1 0 272.458 2.399 10 0 CEAERO CC[NH2+][C@]1(C(N)=O)CCC[C@H]1CCOCC1CCCC1 ZINC000093626508 184698111 /nfs/dbraw/zinc/69/81/11/184698111.db2.gz SPDGIRSOQZJQJA-GOEBONIOSA-N 1 0 282.428 2.217 10 0 CEAERO CCOc1ccc(OCC[C@H]2CCC[C@@]2(O)C[NH3+])cc1 ZINC000093627912 184698843 /nfs/dbraw/zinc/69/88/43/184698843.db2.gz YXMSFLICTCSDLQ-CZUORRHYSA-N 1 0 279.380 2.344 10 0 CEAERO CCc1nn(CC)c(C[C@@H]([NH3+])[C@H](C)OC)c1Cl ZINC000093690022 184707188 /nfs/dbraw/zinc/70/71/88/184707188.db2.gz KTPDLVBXRAUGRM-DTWKUNHWSA-N 1 0 259.781 2.024 10 0 CEAERO COc1cc(OC)cc(O[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000093732301 184709845 /nfs/dbraw/zinc/70/98/45/184709845.db2.gz GFJRTNGQHOOKQI-MNOVXSKESA-N 1 0 251.326 2.353 10 0 CEAERO CCC[NH+](CCC)[C@H]1CCC[C@@](NC)(C(=O)OC)C1 ZINC000093749185 184712831 /nfs/dbraw/zinc/71/28/31/184712831.db2.gz CNOHNWQCRPICJU-ZFWWWQNUSA-N 1 0 270.417 2.182 10 0 CEAERO C[NH2+][C@]1(CO)CCC[C@H](N(CC(F)(F)F)C(C)C)C1 ZINC000093782804 184720906 /nfs/dbraw/zinc/72/09/06/184720906.db2.gz LDIODUAYJLZKPP-NWDGAFQWSA-N 1 0 282.350 2.152 10 0 CEAERO CC[NH2+][C@@]1(CO)CCC[C@H](n2nc(C)c(C)c2C)C1 ZINC000093784250 184721253 /nfs/dbraw/zinc/72/12/53/184721253.db2.gz HFQNIPPFYFCNRG-GJZGRUSLSA-N 1 0 265.401 2.264 10 0 CEAERO CC[NH2+][C@@]1(CO)CCC[C@@H](n2ccnc2C(C)C)C1 ZINC000093784056 184721767 /nfs/dbraw/zinc/72/17/67/184721767.db2.gz CGYSSEITXIIQBE-HIFRSBDPSA-N 1 0 265.401 2.462 10 0 CEAERO C[NH2+][C@@]1(CO)CCC[C@H](Sc2nc(C)cs2)C1 ZINC000093786748 184721938 /nfs/dbraw/zinc/72/19/38/184721938.db2.gz CPJLRJMJNUAFPN-JQWIXIFHSA-N 1 0 272.439 2.437 10 0 CEAERO CC(C)[NH2+][C@@]1(CO)CCC[C@@H](Oc2ccccc2CO)C1 ZINC000093784552 184722142 /nfs/dbraw/zinc/72/21/42/184722142.db2.gz PKVKFPZTLGQUNL-WBVHZDCISA-N 1 0 293.407 2.229 10 0 CEAERO CC[NH2+][C@@]1(CO)CCC[C@H](Oc2cccc(COC)c2)C1 ZINC000093784618 184722156 /nfs/dbraw/zinc/72/21/56/184722156.db2.gz ZOIRFYORAICAFR-IRXDYDNUSA-N 1 0 293.407 2.495 10 0 CEAERO C[NH2+][C@]1(CO)CCC[C@@H](Sc2nc(C)c(C)c(C)n2)C1 ZINC000093787393 184722862 /nfs/dbraw/zinc/72/28/62/184722862.db2.gz YRIMXCQFIUAUNL-UKRRQHHQSA-N 1 0 295.452 2.387 10 0 CEAERO CCC[NH2+][C@H](CC1CCC1)[C@@H]1CN(CC)CCO1 ZINC000093915174 184742131 /nfs/dbraw/zinc/74/21/31/184742131.db2.gz PZJMMOOUBZIJFD-CABCVRRESA-N 1 0 254.418 2.266 10 0 CEAERO CCCN1CCO[C@H]([C@@H](Cc2cccc(F)c2)[NH2+]CC)C1 ZINC000093920303 184742516 /nfs/dbraw/zinc/74/25/16/184742516.db2.gz YDWFBOKBWCQZOZ-SJORKVTESA-N 1 0 294.414 2.457 10 0 CEAERO CC[NH2+][C@@H](c1cnccc1C)[C@H]1CN(C(C)C)CCO1 ZINC000093927977 184744799 /nfs/dbraw/zinc/74/47/99/184744799.db2.gz ZBRWTTHAWKFEQR-CVEARBPZSA-N 1 0 277.412 2.150 10 0 CEAERO Cc1cccc(C(=O)NC2C(C)(C)C([NH3+])C2(C)C)c1 ZINC000094006071 184749378 /nfs/dbraw/zinc/74/93/78/184749378.db2.gz BQSXAUUYRIXGMU-UHFFFAOYSA-N 1 0 260.381 2.487 10 0 CEAERO Cc1ccc(C(=O)N(CC2CC[NH2+]CC2)C(C)C)o1 ZINC000094023194 184750958 /nfs/dbraw/zinc/75/09/58/184750958.db2.gz WWDJQCFBXXUQFI-UHFFFAOYSA-N 1 0 264.369 2.438 10 0 CEAERO CCCN(CC1CC[NH2+]CC1)C(=O)c1ccoc1 ZINC000094022888 184751249 /nfs/dbraw/zinc/75/12/49/184751249.db2.gz JKGYOBLAXSYMMI-UHFFFAOYSA-N 1 0 250.342 2.131 10 0 CEAERO CC[NH2+][C@@H]([C@H]1CCc2cccnc21)C(C)(C)N(C)C ZINC000094137706 184755834 /nfs/dbraw/zinc/75/58/34/184755834.db2.gz RSFICUQDOGBVIQ-ZFWWWQNUSA-N 1 0 261.413 2.430 10 0 CEAERO CC[C@](C)([NH3+])C(=O)N[C@H](C)c1cc(F)ccc1OC ZINC000094233646 184767762 /nfs/dbraw/zinc/76/77/62/184767762.db2.gz SCVGMBHWCJSXOK-OTYXRUKQSA-N 1 0 268.332 2.139 10 0 CEAERO C[NH2+]C1(Cc2nnc3cc(C)nc(C)n32)CCCCC1 ZINC000094258863 184770363 /nfs/dbraw/zinc/77/03/63/184770363.db2.gz VBRHWHCBFATCLE-UHFFFAOYSA-N 1 0 273.384 2.206 10 0 CEAERO CCC[NH2+][C@@H](Cc1nccs1)[C@@H]1CCCOC1 ZINC000094253205 184770375 /nfs/dbraw/zinc/77/03/75/184770375.db2.gz PUTCFLLBLLNZRM-NEPJUHHUSA-N 1 0 254.399 2.480 10 0 CEAERO C[C@](O)(CC[NH3+])Cc1nc(-c2ccccc2)cs1 ZINC000094258267 184770490 /nfs/dbraw/zinc/77/04/90/184770490.db2.gz QJZIJWARGDSGHH-AWEZNQCLSA-N 1 0 262.378 2.452 10 0 CEAERO CCC[C@@H](CC[NH3+])CCc1nnc2cc(C)nc(C)n21 ZINC000094258780 184770564 /nfs/dbraw/zinc/77/05/64/184770564.db2.gz RSEZKAGJHNVPTJ-CYBMUJFWSA-N 1 0 275.400 2.439 10 0 CEAERO Cc1nn(-c2ccncn2)c(C)c1[C@H](C)C[NH2+]C(C)C ZINC000094259441 184770702 /nfs/dbraw/zinc/77/07/02/184770702.db2.gz NPOMYYRVKCKIGF-LLVKDONJSA-N 1 0 273.384 2.381 10 0 CEAERO Nc1ccc(Nc2cc(F)c(F)c(F)c2)[nH+]c1N ZINC000094260405 184771010 /nfs/dbraw/zinc/77/10/10/184771010.db2.gz UQLCSUCMROEUQO-UHFFFAOYSA-N 1 0 254.215 2.407 10 0 CEAERO COC(=O)C[C@@]1([NH3+])CCc2cc(Br)ccc2C1 ZINC000094290071 184776970 /nfs/dbraw/zinc/77/69/70/184776970.db2.gz UYYVZZOBMPVGBF-CYBMUJFWSA-N 1 0 298.180 2.198 10 0 CEAERO Cc1nc(C[C@@]2(C[NH3+])CCC(C)(C)[C@H]2O)cs1 ZINC000094314882 184779022 /nfs/dbraw/zinc/77/90/22/184779022.db2.gz DBWCRVURBUBCIO-DGCLKSJQSA-N 1 0 254.399 2.120 10 0 CEAERO COC[C@@H](C)Oc1c(F)cc(C[C@H](C)[NH3+])cc1F ZINC000094350187 184786747 /nfs/dbraw/zinc/78/67/47/184786747.db2.gz PLAPYHAKIFIZCS-DTWKUNHWSA-N 1 0 259.296 2.268 10 0 CEAERO [NH3+]CC1(O[C@@H]2CCO[C@]3(CCOC3)C2)CCCCC1 ZINC000094361902 184789345 /nfs/dbraw/zinc/78/93/45/184789345.db2.gz VOYPFIHIGJWKSH-UKRRQHHQSA-N 1 0 269.385 2.003 10 0 CEAERO c1cc(CC[NH2+][C@H]2CCO[C@]3(CCSC3)C2)ccn1 ZINC000094368217 184790253 /nfs/dbraw/zinc/79/02/53/184790253.db2.gz FAGJKYIUMUPQQX-LSDHHAIUSA-N 1 0 278.421 2.268 10 0 CEAERO C[NH2+]CC1CC(O[C@@H]2CCO[C@@]3(CCSC3)C2)C1 ZINC000094381325 184791514 /nfs/dbraw/zinc/79/15/14/184791514.db2.gz ISUYHPJMPFZCOM-HHTDUIENSA-N 1 0 271.426 2.056 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H](O[C@@H]2CCOC3(CCOCC3)C2)C1 ZINC000094381382 184791853 /nfs/dbraw/zinc/79/18/53/184791853.db2.gz CIEFQONEEBMLKD-MGPQQGTHSA-N 1 0 269.385 2.001 10 0 CEAERO CC[NH2+][C@@H](C1CCOCC1)[C@@H]1CCOC2(CCOCC2)C1 ZINC000094405283 184793690 /nfs/dbraw/zinc/79/36/90/184793690.db2.gz ACYLJUDXYUUVQN-CVEARBPZSA-N 1 0 297.439 2.367 10 0 CEAERO OCC[C@@H]1CCC[N@@H+]([C@@H]2CCOC3(CCC3)C2)C1 ZINC000094411045 184794276 /nfs/dbraw/zinc/79/42/76/184794276.db2.gz CGJKTZDSIGVKSH-UONOGXRCSA-N 1 0 253.386 2.183 10 0 CEAERO OC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCOC2(CCCC2)C1 ZINC000094411080 184794557 /nfs/dbraw/zinc/79/45/57/184794557.db2.gz OXUBFTZHJIXSBW-PEUVFPKISA-N 1 0 265.397 2.466 10 0 CEAERO CCCC[N@H+](CCN)[C@@H]1CCOC2(CCSCC2)C1 ZINC000094413380 184794671 /nfs/dbraw/zinc/79/46/71/184794671.db2.gz JODYYSKWKBGVBK-CQSZACIVSA-N 1 0 286.485 2.492 10 0 CEAERO CC1(C)CCC[N@H+]1C[C@@H]1[C@H](O)C(C)(C)OC1(C)C ZINC000094430837 184797271 /nfs/dbraw/zinc/79/72/71/184797271.db2.gz BVEBOSDUAFEEOX-NEPJUHHUSA-N 1 0 255.402 2.425 10 0 CEAERO Cc1nc(-c2ccc(Cl)cn2)nc(C)c1CC[NH3+] ZINC000094845289 184879261 /nfs/dbraw/zinc/87/92/61/184879261.db2.gz RHRFWCYYZAGOOH-UHFFFAOYSA-N 1 0 262.744 2.310 10 0 CEAERO COc1ccc2nc([C@H]3CCCCC[C@@H]3[NH3+])[nH]c2n1 ZINC000094745934 184851212 /nfs/dbraw/zinc/85/12/12/184851212.db2.gz NWCCSWCMXDYKCW-UWVGGRQHSA-N 1 0 260.341 2.342 10 0 CEAERO COC(=O)c1ccccc1NC(=O)[C@@H]1CCCCC[C@H]1[NH3+] ZINC000094750035 184852598 /nfs/dbraw/zinc/85/25/98/184852598.db2.gz HIHDQGQIXVWYKG-DGCLKSJQSA-N 1 0 290.363 2.319 10 0 CEAERO COc1ccc(CCNC(=O)[C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000094749029 184852619 /nfs/dbraw/zinc/85/26/19/184852619.db2.gz LZUZWAOOZKZDCM-JKSUJKDBSA-N 1 0 290.407 2.262 10 0 CEAERO [NH3+][C@H]1CCCCC[C@H]1C(=O)Nc1cccc2c[nH]nc21 ZINC000094750835 184852853 /nfs/dbraw/zinc/85/28/53/184852853.db2.gz ZAAQVQQUSRTGDR-NEPJUHHUSA-N 1 0 272.352 2.409 10 0 CEAERO C[NH2+][C@H]([C@@H]1CCOC2(CCOCC2)C1)[C@@]1(C)CCCO1 ZINC000094782997 184862749 /nfs/dbraw/zinc/86/27/49/184862749.db2.gz QNFUAKLIWCLAFT-RBSFLKMASA-N 1 0 283.412 2.119 10 0 CEAERO C[C@]1(c2noc([C@@H](C[NH3+])c3ccccc3)n2)CCCO1 ZINC000094780968 184863011 /nfs/dbraw/zinc/86/30/11/184863011.db2.gz UVICTCWTDDLPEG-SWLSCSKDSA-N 1 0 273.336 2.186 10 0 CEAERO C[C@]1([C@@H]([NH3+])c2ccc3c(c2)OCCCO3)CCCO1 ZINC000094782651 184863054 /nfs/dbraw/zinc/86/30/54/184863054.db2.gz FNPSEUPHGZJZGX-LSDHHAIUSA-N 1 0 263.337 2.417 10 0 CEAERO CCC[NH2+][C@@H](C)CCc1nc([C@@]2(C)CCCO2)no1 ZINC000094786140 184864078 /nfs/dbraw/zinc/86/40/78/184864078.db2.gz STYQZSHPVVXJSZ-SMDDNHRTSA-N 1 0 267.373 2.416 10 0 CEAERO Cn1cc(C[C@@](C)([NH3+])c2cc(F)cc(F)c2)cn1 ZINC000094829437 184875619 /nfs/dbraw/zinc/87/56/19/184875619.db2.gz SYPDBUBJFIHRRW-CYBMUJFWSA-N 1 0 251.280 2.115 10 0 CEAERO CCc1cc(C[C@H]([NH2+]C)[C@@H]2CSCCS2)n(CC)n1 ZINC000094499511 184810566 /nfs/dbraw/zinc/81/05/66/184810566.db2.gz NLDDYRQXVHADRO-KBPBESRZSA-N 1 0 299.509 2.445 10 0 CEAERO CC(C)(C)[NH2+]Cc1cnc([C@@H]2CSCCO2)nc1 ZINC000094505409 184812196 /nfs/dbraw/zinc/81/21/96/184812196.db2.gz ZTVLJFPQJBHTPK-NSHDSACASA-N 1 0 267.398 2.169 10 0 CEAERO CCC[NH2+][C@H](c1ccc(F)c(F)c1)[C@@H]1CN2CCN1CC2 ZINC000094510849 184812590 /nfs/dbraw/zinc/81/25/90/184812590.db2.gz QTPPXMQXPZCOSL-JKSUJKDBSA-N 1 0 295.377 2.005 10 0 CEAERO CSc1ccc(C(=O)N2C[C@H]([NH3+])C[C@H](C)C2)cc1 ZINC000094548693 184815870 /nfs/dbraw/zinc/81/58/70/184815870.db2.gz AGONIGDRUQGWDO-CMPLNLGQSA-N 1 0 264.394 2.218 10 0 CEAERO C[C@H]1C[C@@H]([NH3+])CN(C(=O)Nc2ccccc2F)C1 ZINC000094550096 184816598 /nfs/dbraw/zinc/81/65/98/184816598.db2.gz HNHNZJDSKMZCFK-VHSXEESVSA-N 1 0 251.305 2.027 10 0 CEAERO [NH3+]C[C@@H]1CC[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)O1 ZINC000094562958 184818269 /nfs/dbraw/zinc/81/82/69/184818269.db2.gz AXZGDPIOHICNCD-WDEREUQCSA-N 1 0 288.269 2.150 10 0 CEAERO [NH3+]C[C@H]1CC[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)O1 ZINC000094562956 184818850 /nfs/dbraw/zinc/81/88/50/184818850.db2.gz AXZGDPIOHICNCD-GHMZBOCLSA-N 1 0 288.269 2.150 10 0 CEAERO Cc1nc2ccc(NC(=O)[C@H]3CC[C@@H](C[NH3+])O3)cc2s1 ZINC000094566059 184819807 /nfs/dbraw/zinc/81/98/07/184819807.db2.gz IYFNTTVYGVPPST-CMPLNLGQSA-N 1 0 291.376 2.050 10 0 CEAERO CCCN(c1nc2ccc(Cl)cn2n1)[C@H]1CCC[NH2+]C1 ZINC000094608237 184825692 /nfs/dbraw/zinc/82/56/92/184825692.db2.gz XILHDJFLNVAXIN-LBPRGKRZSA-N 1 0 293.802 2.351 10 0 CEAERO C[NH2+][C@@H](C)c1cc(F)ccc1O[C@@H](C)C(=O)N1CCCC1 ZINC000094619485 184828001 /nfs/dbraw/zinc/82/80/01/184828001.db2.gz AZSZHUAKKAKWHZ-RYUDHWBXSA-N 1 0 294.370 2.496 10 0 CEAERO CC[NH2+][C@]1(C(N)=O)CC[C@H](Sc2cccc(F)c2)C1 ZINC000094624523 184828978 /nfs/dbraw/zinc/82/89/78/184828978.db2.gz NSFJRZWCASDLDX-GXTWGEPZSA-N 1 0 282.384 2.304 10 0 CEAERO CC1CCC([NH3+])([C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000094640082 184832367 /nfs/dbraw/zinc/83/23/67/184832367.db2.gz ZCVPOCZUVGGZGL-DKNRTOFZSA-N 1 0 273.442 2.497 10 0 CEAERO COCC[NH2+][C@@H](C)[C@H](C)Cc1nc2ccccc2n1C ZINC000094656226 184835307 /nfs/dbraw/zinc/83/53/07/184835307.db2.gz QKTAFTSFKVRRKA-OLZOCXBDSA-N 1 0 275.396 2.376 10 0 CEAERO C[C@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1ccc(O)cc1 ZINC000094690263 184839975 /nfs/dbraw/zinc/83/99/75/184839975.db2.gz UNAIEJKVNABGCP-LRDDRELGSA-N 1 0 260.381 2.355 10 0 CEAERO CC(C)C[C@@H](C[NH3+])C(=O)N1CCc2ccccc2CC1 ZINC000094700577 184842830 /nfs/dbraw/zinc/84/28/30/184842830.db2.gz OKKRSWXVCFAXHC-INIZCTEOSA-N 1 0 274.408 2.235 10 0 CEAERO CN(C(=O)Cc1cccc(F)c1F)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000094713662 184845498 /nfs/dbraw/zinc/84/54/98/184845498.db2.gz HLBKOQQPIVZHJX-TZMCWYRMSA-N 1 0 296.361 2.483 10 0 CEAERO CC(C)c1ccc([C@H](O)C[NH2+]CC2(C)COC2)cc1 ZINC000094722315 184846438 /nfs/dbraw/zinc/84/64/38/184846438.db2.gz LZTKOBHJKNJUPF-OAHLLOKOSA-N 1 0 263.381 2.470 10 0 CEAERO COc1cc([C@@H](C)[NH2+]CC2(C)COC2)ccc1O ZINC000094721542 184846593 /nfs/dbraw/zinc/84/65/93/184846593.db2.gz CXGZSYHTDSSAKZ-SNVBAGLBSA-N 1 0 251.326 2.088 10 0 CEAERO CC(C)[C@H](CC[NH3+])CCC(=O)N(C)CCOCC1CC1 ZINC000094988488 184910858 /nfs/dbraw/zinc/91/08/58/184910858.db2.gz XTVYHUSHTULSSE-HNNXBMFYSA-N 1 0 284.444 2.273 10 0 CEAERO CC[NH2+][C@@H](C)c1ccnc(N(CCCOC)CCOC)c1 ZINC000094998935 184911900 /nfs/dbraw/zinc/91/19/00/184911900.db2.gz HUVNDFRRVYOREP-AWEZNQCLSA-N 1 0 295.427 2.241 10 0 CEAERO CCN(c1cc([C@H](C)[NH2+]C)ccn1)[C@@H](C)COC ZINC000094999212 184912254 /nfs/dbraw/zinc/91/22/54/184912254.db2.gz SWKIQOYMUMXJFS-RYUDHWBXSA-N 1 0 251.374 2.223 10 0 CEAERO COC[C@H](C)Cc1nnc(CC[NH2+]CC(C)C)s1 ZINC000095038493 184921270 /nfs/dbraw/zinc/92/12/70/184921270.db2.gz STBAGOMQUXMGMC-LLVKDONJSA-N 1 0 271.430 2.151 10 0 CEAERO C[C@@H]1CCC[C@H](CNC(=O)Cc2ccc(F)cc2F)[NH2+]1 ZINC000095066515 184929681 /nfs/dbraw/zinc/92/96/81/184929681.db2.gz KHDAQKIJAMNSTF-ZWNOBZJWSA-N 1 0 282.334 2.154 10 0 CEAERO CC[C@H](C)c1ccc(NC(=O)C[NH2+]CCOC)cc1 ZINC000095082287 184937979 /nfs/dbraw/zinc/93/79/79/184937979.db2.gz ZNQOKESKLQQGSG-LBPRGKRZSA-N 1 0 264.369 2.375 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1CNc1ncnc2c1CCCC2 ZINC000094873161 184885215 /nfs/dbraw/zinc/88/52/15/184885215.db2.gz GOCLWJYSJJYZIY-RYUDHWBXSA-N 1 0 260.385 2.142 10 0 CEAERO Cc1cscc1CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000094877338 184886302 /nfs/dbraw/zinc/88/63/02/184886302.db2.gz WAIIXSTYYQYUPS-CMPLNLGQSA-N 1 0 252.383 2.190 10 0 CEAERO CC(C)CC1(C[NH2+][C@@H](C)C(=O)N2CCOCC2)CCCC1 ZINC000094879009 184886352 /nfs/dbraw/zinc/88/63/52/184886352.db2.gz MTAVLQDIUIQTQZ-HNNXBMFYSA-N 1 0 296.455 2.430 10 0 CEAERO CCc1ccsc1CNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000094876905 184886656 /nfs/dbraw/zinc/88/66/56/184886656.db2.gz MUDQADDGNIFZKJ-RYUDHWBXSA-N 1 0 266.410 2.444 10 0 CEAERO Cc1cccc(CN(C)C(=O)C[C@H](C[NH3+])CC(C)C)n1 ZINC000094915101 184892210 /nfs/dbraw/zinc/89/22/10/184892210.db2.gz ORQFAJPSQTWJSD-CQSZACIVSA-N 1 0 277.412 2.360 10 0 CEAERO CCNc1cc(C)ccc1C(=O)N(C)CC[NH+](C)C ZINC000094929416 184896353 /nfs/dbraw/zinc/89/63/53/184896353.db2.gz XTRNADWYYGDSOU-UHFFFAOYSA-N 1 0 263.385 2.060 10 0 CEAERO CC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000094949422 184901843 /nfs/dbraw/zinc/90/18/43/184901843.db2.gz ALBKOZSQTXMDCL-RYUDHWBXSA-N 1 0 292.379 2.077 10 0 CEAERO COC(=O)CCC[NH2+]CCc1ccc(F)cc1C ZINC000094954787 184902752 /nfs/dbraw/zinc/90/27/52/184902752.db2.gz XQHRHFCZMVOGMI-UHFFFAOYSA-N 1 0 253.317 2.219 10 0 CEAERO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N2CCOCC2)cc1F ZINC000094955542 184902944 /nfs/dbraw/zinc/90/29/44/184902944.db2.gz NMOSBFNVXGNINF-QWHCGFSZSA-N 1 0 294.370 2.032 10 0 CEAERO Cc1cc(F)ccc1CCNC(=O)[C@H]1C[NH2+]C[C@@H](C)C1 ZINC000094961751 184906008 /nfs/dbraw/zinc/90/60/08/184906008.db2.gz FFHDFUMMQGNCLD-SMDDNHRTSA-N 1 0 278.371 2.038 10 0 CEAERO Cc1cc(F)ccc1CCN1CCC[C@@H]([NH2+]C2CC2)C1=O ZINC000094962697 184906084 /nfs/dbraw/zinc/90/60/84/184906084.db2.gz GVPCJIQQAKEMEG-MRXNPFEDSA-N 1 0 290.382 2.420 10 0 CEAERO Cc1ccc([C@H](C)N2CCC[C@@H]([NH3+])C2=O)cc1F ZINC000094962731 184906556 /nfs/dbraw/zinc/90/65/56/184906556.db2.gz ZJEIYJYZGUFFFB-GXFFZTMASA-N 1 0 250.317 2.145 10 0 CEAERO Cc1c(C[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)cnn1C ZINC000282921058 195744422 /nfs/dbraw/zinc/74/44/22/195744422.db2.gz VVUFMJZBMSDBIS-NSHDSACASA-N 1 0 296.415 2.074 10 0 CEAERO COC1CCN(c2nc3ccccc3cc2C(N)=[NH2+])CC1 ZINC000071390043 134486059 /nfs/dbraw/zinc/48/60/59/134486059.db2.gz XUYWLGQNPUDZIJ-UHFFFAOYSA-N 1 0 284.363 2.134 10 0 CEAERO C[C@H]1CCCN(c2nccc(C(F)(F)F)n2)[C@@H]1C[NH3+] ZINC000081587157 134499734 /nfs/dbraw/zinc/49/97/34/134499734.db2.gz QFZCUYSYTLRYAJ-DTWKUNHWSA-N 1 0 274.290 2.059 10 0 CEAERO CCc1cc2c(ncnc2N2CC[C@H]([NH3+])[C@H](C)C2)s1 ZINC000094342546 134511155 /nfs/dbraw/zinc/51/11/55/134511155.db2.gz ITEHECBAIXIKJK-SKDRFNHKSA-N 1 0 276.409 2.427 10 0 CEAERO [NH3+]CCCOC1CCN(c2ccc(Cl)cn2)CC1 ZINC000094073173 134511316 /nfs/dbraw/zinc/51/13/16/134511316.db2.gz PYYVNKCWHFAYIT-UHFFFAOYSA-N 1 0 269.776 2.069 10 0 CEAERO C[C@@H]1CN(c2nc3c(cc2C(N)=[NH2+])CCC3)C[C@H](C)S1 ZINC000070383594 134946430 /nfs/dbraw/zinc/94/64/30/134946430.db2.gz OXLSLJVODBNIFV-AOOOYVTPSA-N 1 0 290.436 2.185 10 0 CEAERO Cc1ccccc1-c1ccc(N2CCC[C@@H]([NH3+])C2)nn1 ZINC000070458956 134949545 /nfs/dbraw/zinc/94/95/45/134949545.db2.gz QGCKOLBGQIHNBN-CYBMUJFWSA-N 1 0 268.364 2.380 10 0 CEAERO CCC[NH2+]C[C@@H](C)CN1c2ccccc2OCC1=O ZINC000070526677 134952463 /nfs/dbraw/zinc/95/24/63/134952463.db2.gz NVZUVRAROPFTEK-GFCCVEGCSA-N 1 0 262.353 2.048 10 0 CEAERO COc1cc(N2CCC[C@H]([NH3+])C2)c(OC)cc1Cl ZINC000071198438 134961310 /nfs/dbraw/zinc/96/13/10/134961310.db2.gz AEYLRBVBJJYPAS-VIFPVBQESA-N 1 0 270.760 2.285 10 0 CEAERO C[NH2+][C@H]1CCN(C(=O)c2cccnc2)c2ccccc21 ZINC000071324361 134962377 /nfs/dbraw/zinc/96/23/77/134962377.db2.gz GVUSPUBAUSXSQJ-AWEZNQCLSA-N 1 0 267.332 2.393 10 0 CEAERO C[NH2+][C@H]1CCN(CC(=O)N(C)C(C)C)c2ccccc21 ZINC000071325727 134964767 /nfs/dbraw/zinc/96/47/67/134964767.db2.gz TZRPOYFXADWQSF-AWEZNQCLSA-N 1 0 275.396 2.024 10 0 CEAERO C[C@H]1CN(c2ccc(Br)cc2N)CC[N@@H+]1C ZINC000082477600 135007478 /nfs/dbraw/zinc/00/74/78/135007478.db2.gz LYLNYOPOOUVGFA-VIFPVBQESA-N 1 0 284.201 2.172 10 0 CEAERO C[N@@H+]1CCN(c2ccc(N)cc2Cl)CC1(C)C ZINC000084593735 135033655 /nfs/dbraw/zinc/03/36/55/135033655.db2.gz XGERKONRJZRKHX-UHFFFAOYSA-N 1 0 253.777 2.453 10 0 CEAERO CC[NH2+][C@@](C)(CO)CN1c2ccccc2CC[C@@H]1C ZINC000085215596 135035628 /nfs/dbraw/zinc/03/56/28/135035628.db2.gz HQMMHOGHUFDBMR-XJKSGUPXSA-N 1 0 262.397 2.188 10 0 CEAERO CCC[C@@H]1CN(c2cc(OC)cc(OC)c2)CC[NH2+]1 ZINC000086123010 135038485 /nfs/dbraw/zinc/03/84/85/135038485.db2.gz DASLJSCHCSBJQI-GFCCVEGCSA-N 1 0 264.369 2.282 10 0 CEAERO c1ccc2ncc(N3CC[NH2+][C@H](C4CC4)C3)cc2c1 ZINC000086147776 135039440 /nfs/dbraw/zinc/03/94/40/135039440.db2.gz CIEFMMQSDGIKRB-INIZCTEOSA-N 1 0 253.349 2.423 10 0 CEAERO c1cc2cnccc2c(N2CC[NH2+][C@H](C3CC3)C2)c1 ZINC000086128323 135039507 /nfs/dbraw/zinc/03/95/07/135039507.db2.gz OUJRHGCFKHYMFD-HNNXBMFYSA-N 1 0 253.349 2.423 10 0 CEAERO [NH3+][C@@H]1CCN(C(=O)c2ccncc2F)c2ccccc21 ZINC000086315789 135039670 /nfs/dbraw/zinc/03/96/70/135039670.db2.gz OSIKIUIVGYHTGM-CYBMUJFWSA-N 1 0 271.295 2.271 10 0 CEAERO COCc1cccc(N2C[C@H](C3CC3)[NH2+]C[C@@H]2C)c1 ZINC000086225907 135039857 /nfs/dbraw/zinc/03/98/57/135039857.db2.gz YPPYUHXWINOPDM-BLLLJJGKSA-N 1 0 260.381 2.410 10 0 CEAERO [NH3+]C[C@@]1(N2CCCc3ccccc32)CCCOCC1 ZINC000086874795 135048279 /nfs/dbraw/zinc/04/82/79/135048279.db2.gz POHQLIRNQIYXJE-MRXNPFEDSA-N 1 0 260.381 2.337 10 0 CEAERO NNc1nc(N2CCC[C@@H]3CCC[C@@H]32)c(Cl)c[nH+]1 ZINC000087886482 135052059 /nfs/dbraw/zinc/05/20/59/135052059.db2.gz XEKPMMVDNPPQSW-WPRPVWTQSA-N 1 0 267.764 2.185 10 0 CEAERO CC[C@H]1CCCN(c2cc(NN)[nH+]c(SC)n2)C1 ZINC000087854436 135052073 /nfs/dbraw/zinc/05/20/73/135052073.db2.gz PRFGXIIQCCOSEU-VIFPVBQESA-N 1 0 267.402 2.111 10 0 CEAERO CC1(C)CCN(c2nc(NN)[nH+]cc2Cl)CC1 ZINC000087870166 135052202 /nfs/dbraw/zinc/05/22/02/135052202.db2.gz ZJTQXGIDWHLROI-UHFFFAOYSA-N 1 0 255.753 2.042 10 0 CEAERO [NH3+]CCc1ccc(N2CCSCC2)c(Cl)c1 ZINC000088042934 135052422 /nfs/dbraw/zinc/05/24/22/135052422.db2.gz KZAUOVSQVBYDKU-UHFFFAOYSA-N 1 0 256.802 2.394 10 0 CEAERO CCn1nc(C)cc1C(=O)N1CC[C@@H]([NH3+])c2ccccc21 ZINC000090122373 135062348 /nfs/dbraw/zinc/06/23/48/135062348.db2.gz AFGBKKCWXNDYRP-CYBMUJFWSA-N 1 0 284.363 2.262 10 0 CEAERO C[C@H]([NH3+])CSCC(=O)N1CCCc2ccccc21 ZINC000090343440 135062994 /nfs/dbraw/zinc/06/29/94/135062994.db2.gz WVPAXUVENGVKCE-NSHDSACASA-N 1 0 264.394 2.046 10 0 CEAERO [NH3+][C@H]1CC[C@H](Nc2ccc(N3CCCCC3)nc2)C1 ZINC000093206389 135079568 /nfs/dbraw/zinc/07/95/68/135079568.db2.gz SMUVZUVCCBCDJC-STQMWFEESA-N 1 0 260.385 2.364 10 0 CEAERO C[C@H]1C[C@@H]1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000093123573 135079930 /nfs/dbraw/zinc/07/99/30/135079930.db2.gz ZDGXNXICDKTPLY-WFASDCNBSA-N 1 0 288.395 2.006 10 0 CEAERO Cc1c([C@H](C[NH3+])N2C[C@H](C)Cc3ccccc32)cnn1C ZINC000093650826 135081392 /nfs/dbraw/zinc/08/13/92/135081392.db2.gz GQCBJVJJVNIRGX-PXAZEXFGSA-N 1 0 284.407 2.427 10 0 CEAERO CC1(C)CC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)[C@H]1O ZINC000094319371 135085907 /nfs/dbraw/zinc/08/59/07/135085907.db2.gz XJNLVYONPVNUQS-GOEBONIOSA-N 1 0 289.423 2.001 10 0 CEAERO C[C@H](O)c1ccccc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094439802 135087822 /nfs/dbraw/zinc/08/78/22/135087822.db2.gz IXMMKCDNENOTGX-UONOGXRCSA-N 1 0 260.381 2.414 10 0 CEAERO O=c1c(C[NH2+]C2CC2)cc2cccc3c2n1CCC3 ZINC000039287237 394498986 /nfs/dbraw/zinc/49/89/86/394498986.db2.gz AONHWVZMSJXJPS-UHFFFAOYSA-N 1 0 254.333 2.200 10 0 CEAERO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1COc2ccccc21 ZINC000245881428 394505902 /nfs/dbraw/zinc/50/59/02/394505902.db2.gz BCOWSTDKYONYML-UONOGXRCSA-N 1 0 274.364 2.111 10 0 CEAERO C[C@@H]1CC[C@]2(CN1C(=O)OC(C)(C)C)[NH2+]CCS2 ZINC000306782390 394517867 /nfs/dbraw/zinc/51/78/67/394517867.db2.gz QOLFSTSVIVJBIZ-MFKMUULPSA-N 1 0 272.414 2.439 10 0 CEAERO [NH3+][C@@]1(Cc2ccsc2Br)CCOC1 ZINC000306775146 394517876 /nfs/dbraw/zinc/51/78/76/394517876.db2.gz WMOHQYCHGYEUMS-SECBINFHSA-N 1 0 262.172 2.171 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccccc1O ZINC000246536536 394517922 /nfs/dbraw/zinc/51/79/22/394517922.db2.gz JIJWPLHDRYMHIY-OLZOCXBDSA-N 1 0 274.364 2.091 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCCC[C@@H]2C)C1 ZINC000246835369 394522362 /nfs/dbraw/zinc/52/23/62/394522362.db2.gz DXSWKKUAFRZSJG-HZSPNIEDSA-N 1 0 267.417 2.299 10 0 CEAERO CCCCOC[C@@H](O)C[NH+]1CCC(C(F)F)CC1 ZINC000307855399 394523633 /nfs/dbraw/zinc/52/36/33/394523633.db2.gz MFJGCSJXPVJCBY-LBPRGKRZSA-N 1 0 265.344 2.141 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(Cl)nc1 ZINC000247526610 394531793 /nfs/dbraw/zinc/53/17/93/394531793.db2.gz XEBYJGZYLVOBIX-YPMHNXCESA-N 1 0 265.788 2.404 10 0 CEAERO COc1cc(F)cc(C[NH2+][C@H]2CCCC[C@H]2CO)c1 ZINC000312262984 394540768 /nfs/dbraw/zinc/54/07/68/394540768.db2.gz BCIDBBOCBVCJRU-WFASDCNBSA-N 1 0 267.344 2.475 10 0 CEAERO C[C@](O)(C[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O)C(F)(F)F ZINC000312765295 394542297 /nfs/dbraw/zinc/54/22/97/394542297.db2.gz YWCZDTZLCCULOP-RNJOBUHISA-N 1 0 295.345 2.315 10 0 CEAERO CC[C@@H]1[C@@H](C)CCN1C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000248570758 394542869 /nfs/dbraw/zinc/54/28/69/394542869.db2.gz RZMILKVNZZNSFE-MELADBBJSA-N 1 0 267.417 2.301 10 0 CEAERO COC[C@H](C)C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000248648339 394544574 /nfs/dbraw/zinc/54/45/74/394544574.db2.gz UNCKVXMCTGBXNQ-GZBFAFLISA-N 1 0 278.396 2.077 10 0 CEAERO [NH3+]C[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@H]1c1ccccc1 ZINC000328347150 394552224 /nfs/dbraw/zinc/55/22/24/394552224.db2.gz MGKJZAWSOGTLJX-ZACQAIPSSA-N 1 0 274.408 2.230 10 0 CEAERO C[C@H]1CN(c2ccnc(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000261590715 394603543 /nfs/dbraw/zinc/60/35/43/394603543.db2.gz XDZSNBFQDUSWKR-WCBMZHEXSA-N 1 0 259.275 2.274 10 0 CEAERO CCc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000262033287 394612418 /nfs/dbraw/zinc/61/24/18/394612418.db2.gz XSQRWLALOGRNEL-RCCFBDPRSA-N 1 0 288.435 2.496 10 0 CEAERO Cc1cc(N2CCC[C@H]([NH2+]Cc3ccccc3)C2=O)n(C)n1 ZINC000080526637 394636135 /nfs/dbraw/zinc/63/61/35/394636135.db2.gz SEACCMCNSKVXEO-HNNXBMFYSA-N 1 0 298.390 2.014 10 0 CEAERO CC(C)c1nc2c(n1C)CCN(C[C@H]1CCCO1)C2 ZINC000106371976 394724889 /nfs/dbraw/zinc/72/48/89/394724889.db2.gz VBJIEDXQTRUKGN-GFCCVEGCSA-N 1 0 263.385 2.081 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1cc(Cl)c2ccccc2n1 ZINC000335469056 394768842 /nfs/dbraw/zinc/76/88/42/394768842.db2.gz 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CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cnc(C)s1)CC2 ZINC000180633862 165318422 /nfs/dbraw/zinc/31/84/22/165318422.db2.gz CZCXTSDYLZFRLU-KOLCDFICSA-N 1 0 291.424 2.271 10 0 CEAERO C[NH+](C)C[C@H]1CN(C(=O)C2(C)CCCCCC2)CCO1 ZINC000180804447 165321335 /nfs/dbraw/zinc/32/13/35/165321335.db2.gz MUTFEBAVERWHHB-AWEZNQCLSA-N 1 0 282.428 2.136 10 0 CEAERO Cc1ccc(CCC[N@@H+]2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000181917507 165360011 /nfs/dbraw/zinc/36/00/11/165360011.db2.gz LWNXTUVFYSVNOV-GOSISDBHSA-N 1 0 288.435 2.334 10 0 CEAERO CCC[NH+](CCC)[C@@H]1Cc2cccc3[nH]c(=O)n(c32)C1 ZINC000003788022 169912751 /nfs/dbraw/zinc/91/27/51/169912751.db2.gz UCZYAFAFGFTZEW-CYBMUJFWSA-N 1 0 273.380 2.376 10 0 CEAERO Cc1[nH+]c(N)nc(N)c1C12CC3CC(CC(C3)C1)C2 ZINC000005424904 170098079 /nfs/dbraw/zinc/09/80/79/170098079.db2.gz XOMGENVDQWACIS-UHFFFAOYSA-N 1 0 258.369 2.417 10 0 CEAERO CCC(=O)O[C@]1(c2cccc(OC)c2)CC[N@H+](C)C1 ZINC000005768352 170138872 /nfs/dbraw/zinc/13/88/72/170138872.db2.gz UTMPJCHLKKSULO-OAHLLOKOSA-N 1 0 263.337 2.179 10 0 CEAERO CC[NH+](CC)CC(=O)Nc1c(C)ccc(O)c1C ZINC000005846414 170146556 /nfs/dbraw/zinc/14/65/56/170146556.db2.gz PMGUCIDDSCRAMY-UHFFFAOYSA-N 1 0 250.342 2.289 10 0 world CEAERO [NH3+]C[C@H](c1ccccc1F)S(=O)(=O)c1ccccc1 ZINC000008031220 170315125 /nfs/dbraw/zinc/31/51/25/170315125.db2.gz BUIKMDDTWFNSAK-CQSZACIVSA-N 1 0 279.336 2.299 10 0 CEAERO COc1ccccc1NC(=O)NCC[C@@H]1CCCC[NH2+]1 ZINC000019428133 170795988 /nfs/dbraw/zinc/79/59/88/170795988.db2.gz UQOYEJWODVKLSC-LBPRGKRZSA-N 1 0 277.368 2.349 10 0 CEAERO CC(C)OCCOCc1ccc(C(N)=[NH2+])cc1F ZINC000019440382 170801840 /nfs/dbraw/zinc/80/18/40/170801840.db2.gz RZGZSGQSAOTWBI-UHFFFAOYSA-N 1 0 254.305 2.051 10 0 CEAERO [NH3+]C[C@H](CCOc1cccc(F)c1)N1CCCCC1 ZINC000019664826 170834268 /nfs/dbraw/zinc/83/42/68/170834268.db2.gz CTOKFJNPXNOWQA-AWEZNQCLSA-N 1 0 266.360 2.408 10 0 CEAERO C[NH2+]C[C@H](O)CSc1ccc(OC)c(Cl)c1 ZINC000019686973 170840433 /nfs/dbraw/zinc/84/04/33/170840433.db2.gz QSXNGGUTKJJZLE-QMMMGPOBSA-N 1 0 261.774 2.021 10 0 CEAERO CC[C@@H]([NH2+][C@@H]1CCS(=O)(=O)C1)c1ccc(C)cc1 ZINC000019900252 170912116 /nfs/dbraw/zinc/91/21/16/170912116.db2.gz VHLDCQFWYOTOGQ-ZIAGYGMSSA-N 1 0 267.394 2.223 10 0 CEAERO Cc1cc([C@H](C)[NH2+][C@@H]2CCS(=O)(=O)C2)c(C)s1 ZINC000020133333 171021561 /nfs/dbraw/zinc/02/15/61/171021561.db2.gz CIHPHQFKMSRJGX-GXSJLCMTSA-N 1 0 273.423 2.203 10 0 CEAERO Cc1ccn(CC[NH+]2CCC(Oc3cccnc3)CC2)n1 ZINC000020149071 171037554 /nfs/dbraw/zinc/03/75/54/171037554.db2.gz OEXVOGZVUPSRDQ-UHFFFAOYSA-N 1 0 286.379 2.130 10 0 CEAERO [NH3+]CCc1csc(N2CCc3ccccc3C2)n1 ZINC000020185296 171048094 /nfs/dbraw/zinc/04/80/94/171048094.db2.gz BHWKLOXFYHDMBB-UHFFFAOYSA-N 1 0 259.378 2.207 10 0 CEAERO c1ccc(CC[NH2+]Cc2nnc3ccccn32)cc1 ZINC000020185334 171049013 /nfs/dbraw/zinc/04/90/13/171049013.db2.gz QNHGFLGCKSXDQY-UHFFFAOYSA-N 1 0 252.321 2.062 10 0 CEAERO CCOc1cc([C@H](O)[C@@H](C)[NH3+])ccc1OC(F)F ZINC000020216799 171078684 /nfs/dbraw/zinc/07/86/84/171078684.db2.gz CCBNZKPZGUIFTB-RDDDGLTNSA-N 1 0 261.268 2.067 10 0 CEAERO COc1ccc([C@@H](C[NH3+])N(C)CC(C)C)c(OC)c1 ZINC000020226492 171091434 /nfs/dbraw/zinc/09/14/34/171091434.db2.gz NVJPZRFVVLNFAM-CQSZACIVSA-N 1 0 266.385 2.291 10 0 CEAERO CC(C)Cc1ccc([C@H]([NH3+])CN2CCOC2=O)cc1 ZINC000020262206 171119739 /nfs/dbraw/zinc/11/97/39/171119739.db2.gz ADMDMJUAZZVPBH-CQSZACIVSA-N 1 0 262.353 2.337 10 0 CEAERO C[C@@H]1CC[C@@H](C(=O)N(C)Cc2cccc(F)c2)C[NH2+]1 ZINC000020293376 171134407 /nfs/dbraw/zinc/13/44/07/171134407.db2.gz NUMIRKXNEKOMCG-DGCLKSJQSA-N 1 0 264.344 2.172 10 0 CEAERO C[C@H]([NH2+]CCc1ccccc1F)C(=O)NC(C)(C)C ZINC000020358562 171157733 /nfs/dbraw/zinc/15/77/33/171157733.db2.gz RYPPPLKJBUGGKR-NSHDSACASA-N 1 0 266.360 2.261 10 0 CEAERO CCCCCNC(=O)[C@@H](C)NCC[NH+](C(C)C)C(C)C ZINC000020365896 171164788 /nfs/dbraw/zinc/16/47/88/171164788.db2.gz DUTQHNNDTNKMBH-OAHLLOKOSA-N 1 0 285.476 2.390 10 0 CEAERO Clc1ccc(Cc2ncc3c(n2)CC[NH2+]C3)cc1 ZINC000020383457 171174499 /nfs/dbraw/zinc/17/44/99/171174499.db2.gz RKCKDPLTMVMMKA-UHFFFAOYSA-N 1 0 259.740 2.367 10 0 CEAERO CCN(CC)C(=O)[C@H](C)Oc1ccccc1[C@@H](C)[NH3+] ZINC000020419373 171184724 /nfs/dbraw/zinc/18/47/24/171184724.db2.gz YRCNLFVXKOOTQG-NEPJUHHUSA-N 1 0 264.369 2.342 10 0 CEAERO COc1cc([C@@H](C)[NH3+])ccc1O[C@@H](C)C(=O)NCC(C)C ZINC000020419870 171184899 /nfs/dbraw/zinc/18/48/99/171184899.db2.gz PDRPQDFSICUPHM-NEPJUHHUSA-N 1 0 294.395 2.254 10 0 CEAERO COC(C)(C)C[C@@H](C)[NH2+]Cc1nnc2ccccn21 ZINC000020524713 171237829 /nfs/dbraw/zinc/23/78/29/171237829.db2.gz VODIFTUALHTXLR-LLVKDONJSA-N 1 0 262.357 2.023 10 0 CEAERO CCCCCC[NH2+]Cc1cccc(OC)c1OCC(N)=O ZINC000020872532 171277371 /nfs/dbraw/zinc/27/73/71/171277371.db2.gz SBYMPDRJOBZGDO-UHFFFAOYSA-N 1 0 294.395 2.229 10 0 CEAERO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2c(C)cc(C)cc2C)C1 ZINC000284732631 196120407 /nfs/dbraw/zinc/12/04/07/196120407.db2.gz XCRNYCDOVMSABM-LSDHHAIUSA-N 1 0 263.381 2.193 10 0 CEAERO C[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(N)c2)C1 ZINC000022151967 171359183 /nfs/dbraw/zinc/35/91/83/171359183.db2.gz PUGJHMDOLDZVAO-GFCCVEGCSA-N 1 0 261.369 2.329 10 0 CEAERO Cc1ccc(N)cc1NC(=O)CC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000022153320 171359962 /nfs/dbraw/zinc/35/99/62/171359962.db2.gz NWUHSIWPZOTHBE-STQMWFEESA-N 1 0 291.395 2.015 10 0 CEAERO C[N@H+](CC(=O)Nc1ccccc1N)C1CCCCC1 ZINC000022166045 171365604 /nfs/dbraw/zinc/36/56/04/171365604.db2.gz WTRXFFZDYULHRQ-UHFFFAOYSA-N 1 0 261.369 2.472 10 0 CEAERO Cc1cc(F)ccc1NS(=O)(=O)c1ccccc1C[NH3+] ZINC000022170874 171368158 /nfs/dbraw/zinc/36/81/58/171368158.db2.gz NSAHCXAYVBPVTN-UHFFFAOYSA-N 1 0 294.351 2.394 10 0 CEAERO CCN(CC)[C@H](C[NH3+])c1ccc(Br)o1 ZINC000022171552 171368229 /nfs/dbraw/zinc/36/82/29/171368229.db2.gz JYWMQOXRXCASLJ-MRVPVSSYSA-N 1 0 261.163 2.384 10 0 CEAERO COc1cc(N)ccc1NC(=O)C[NH+]1[C@H](C)CCC[C@H]1C ZINC000022172533 171368504 /nfs/dbraw/zinc/36/85/04/171368504.db2.gz JOUYSKGPBSVUOV-VXGBXAGGSA-N 1 0 291.395 2.479 10 0 CEAERO CC[C@@H](C)NC(=O)COc1ccccc1[C@H]([NH3+])CC ZINC000022174354 171369364 /nfs/dbraw/zinc/36/93/64/171369364.db2.gz YUNZRUUYWLHQRT-DGCLKSJQSA-N 1 0 264.369 2.390 10 0 CEAERO CC[C@@H]([NH3+])c1ccccc1OCC(=O)NC(C)(C)C ZINC000022222977 171379212 /nfs/dbraw/zinc/37/92/12/171379212.db2.gz AFQGIGGWQQQLCL-GFCCVEGCSA-N 1 0 264.369 2.390 10 0 CEAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1C)C(=O)NCc1ccco1 ZINC000034937108 171896683 /nfs/dbraw/zinc/89/66/83/171896683.db2.gz PJJYQHZDRCONKK-DYEKYZERSA-N 1 0 264.369 2.453 10 0 CEAERO C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C[NH3+])s1 ZINC000034975278 171910099 /nfs/dbraw/zinc/91/00/99/171910099.db2.gz NYPYECSVWQHKNL-ONGXEEELSA-N 1 0 288.438 2.064 10 0 CEAERO CCNC(=O)[C@H](C)[NH2+][C@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000035012005 171929955 /nfs/dbraw/zinc/92/99/55/171929955.db2.gz RNIUOWWJUGOURJ-FQUUOJAGSA-N 1 0 252.402 2.460 10 0 CEAERO CCN(CC)C(=O)[C@@H](C)[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000035206944 172052206 /nfs/dbraw/zinc/05/22/06/172052206.db2.gz TXMPAQFIKBQPOA-GFCCVEGCSA-N 1 0 294.395 2.050 10 0 CEAERO CC[C@@H](C)C(=O)Nc1sc2c(c1C(=O)OC)CC[NH2+]C2 ZINC000035216879 172057570 /nfs/dbraw/zinc/05/75/70/172057570.db2.gz KYLRNMKZIKNUIA-MRVPVSSYSA-N 1 0 296.392 2.165 10 0 CEAERO CN(c1nc2sccn2c1C[NH3+])C1CCCC1 ZINC000035430130 172198414 /nfs/dbraw/zinc/19/84/14/172198414.db2.gz XKFBOABIMJMETC-UHFFFAOYSA-N 1 0 250.371 2.233 10 0 CEAERO C[NH2+]Cc1c(N(C)CC(C)C)nc2sccn12 ZINC000035430184 172199111 /nfs/dbraw/zinc/19/91/11/172199111.db2.gz XKDCZNMIMQFSQN-UHFFFAOYSA-N 1 0 252.387 2.207 10 0 CEAERO C[NH2+]Cc1c(N(C)[C@H]2CCSC2)nc2sccn12 ZINC000035430295 172199582 /nfs/dbraw/zinc/19/95/82/172199582.db2.gz QYGSDIFQHPIBBT-VIFPVBQESA-N 1 0 282.438 2.057 10 0 CEAERO C[NH2+][C@@H](c1ccc(OC)c(OC)c1)[C@H]1CCCO1 ZINC000035463409 172211558 /nfs/dbraw/zinc/21/15/58/172211558.db2.gz RRQREHSEYLBPRR-OCCSQVGLSA-N 1 0 251.326 2.143 10 0 CEAERO Cc1ccc(O[C@H](C)C(=O)NC2CC2)c([C@H](C)[NH3+])c1 ZINC000035629305 172308873 /nfs/dbraw/zinc/30/88/73/172308873.db2.gz ZPOAYXBGYZKLGO-WDEREUQCSA-N 1 0 262.353 2.061 10 0 CEAERO C[NH2+][C@H](C)c1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC000035632796 172315719 /nfs/dbraw/zinc/31/57/19/172315719.db2.gz SBCFBVGJEJAPOY-SNVBAGLBSA-N 1 0 270.398 2.044 10 0 CEAERO CCN(C1CC1)S(=O)(=O)c1ccc([C@H](C)[NH2+]C)cc1 ZINC000035633729 172317225 /nfs/dbraw/zinc/31/72/25/172317225.db2.gz RUUJBPOLXLGCMC-NSHDSACASA-N 1 0 282.409 2.140 10 0 CEAERO Cc1ccc(CN(C)C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)o1 ZINC000035660281 172337115 /nfs/dbraw/zinc/33/71/15/172337115.db2.gz ODDKAKHLNHIZFR-INIZCTEOSA-N 1 0 284.359 2.261 10 0 CEAERO Cc1ccc(Cl)c(N2C[C@@H]([NH3+])CC2=O)c1Cl ZINC000035679763 172350735 /nfs/dbraw/zinc/35/07/35/172350735.db2.gz AKJRZNJYGLJOSM-ZETCQYMHSA-N 1 0 259.136 2.366 10 0 CEAERO C[C@@H](NC(=O)c1ccc(F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000035690666 172359318 /nfs/dbraw/zinc/35/93/18/172359318.db2.gz JRXMWWHNSHBULR-MFKMUULPSA-N 1 0 250.317 2.086 10 0 CEAERO C[C@@H](NC(=O)C[C@H]([NH3+])c1ccccc1)c1ccccn1 ZINC000035694941 172363483 /nfs/dbraw/zinc/36/34/83/172363483.db2.gz SBYAHDFEPDESFF-OCCSQVGLSA-N 1 0 269.348 2.349 10 0 CEAERO Cn1ccnc1SCc1ccc(C[NH3+])cc1F ZINC000035722644 172378243 /nfs/dbraw/zinc/37/82/43/172378243.db2.gz LHBURNZXQZZPFR-UHFFFAOYSA-N 1 0 251.330 2.310 10 0 CEAERO CCC[N@@H+]1CCC[C@H]([C@@H](C)Nc2cnn(C)c2)C1 ZINC000035737413 172390280 /nfs/dbraw/zinc/39/02/80/172390280.db2.gz ANVYUZDVJZLMNZ-OLZOCXBDSA-N 1 0 250.390 2.343 10 0 CEAERO O=S1(=O)CC[C@@H]([NH2+]C2CC2)c2cc3c(cc21)CCC3 ZINC000035762403 172401413 /nfs/dbraw/zinc/40/14/13/172401413.db2.gz CQBJSXCTJLDBOU-CQSZACIVSA-N 1 0 277.389 2.146 10 0 CEAERO Cc1cn2c(C[NH2+][C@H]3CCC[C@@H](O)C3)c(C)nc2s1 ZINC000037166157 173000650 /nfs/dbraw/zinc/00/06/50/173000650.db2.gz WSFAAWRERSOHJZ-NWDGAFQWSA-N 1 0 279.409 2.406 10 0 CEAERO COc1ccc(OC)c(C[NH2+][C@H]2CCC[C@@H](O)C2)c1 ZINC000037166265 173000851 /nfs/dbraw/zinc/00/08/51/173000851.db2.gz LKRYNCMGPUJNBD-QWHCGFSZSA-N 1 0 265.353 2.097 10 0 CEAERO COC[C@H](C)[NH2+]Cc1c(C)nc2scc(C)n12 ZINC000037196143 173024275 /nfs/dbraw/zinc/02/42/75/173024275.db2.gz ZRBPPZVWNJJLOJ-QMMMGPOBSA-N 1 0 253.371 2.137 10 0 CEAERO CCCC[NH2+][C@H]1CCS(=O)(=O)c2ccccc21 ZINC000037197940 173024854 /nfs/dbraw/zinc/02/48/54/173024854.db2.gz PYNIEVOXSBMRAO-LBPRGKRZSA-N 1 0 253.367 2.295 10 0 CEAERO C[NH2+]Cc1cc(F)ccc1N(C)[C@H]1CCSC1 ZINC000037236804 173054004 /nfs/dbraw/zinc/05/40/04/173054004.db2.gz QXHOZUAIVCLWCX-LBPRGKRZSA-N 1 0 254.374 2.487 10 0 CEAERO CC(C)OCCC[NH2+][C@H]1CCS(=O)(=O)c2ccccc21 ZINC000037239617 173056031 /nfs/dbraw/zinc/05/60/31/173056031.db2.gz QDDXYVOTWMHWQC-AWEZNQCLSA-N 1 0 297.420 2.310 10 0 CEAERO Cc1ncsc1[C@@H](C)[NH2+]CCCn1ccnc1 ZINC000037249482 173061687 /nfs/dbraw/zinc/06/16/87/173061687.db2.gz ATGRBOLBXPOHEJ-SNVBAGLBSA-N 1 0 250.371 2.389 10 0 CEAERO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CC(=O)N(C)C ZINC000037254437 173065506 /nfs/dbraw/zinc/06/55/06/173065506.db2.gz QMIHGUJPOLRTKK-SECBINFHSA-N 1 0 283.441 2.488 10 0 CEAERO NS(=O)(=O)CC[NH2+][C@@H]1CCCC[C@H]1C1CCCCC1 ZINC000037261853 173071193 /nfs/dbraw/zinc/07/11/93/173071193.db2.gz RDVAQROFSDPHSV-UONOGXRCSA-N 1 0 288.457 2.004 10 0 CEAERO CC[C@@H](C)C[N@H+](C)CC(=O)Nc1c(C)cccc1N ZINC000037273525 173085354 /nfs/dbraw/zinc/08/53/54/173085354.db2.gz BTTMEBKGSWXLHU-LLVKDONJSA-N 1 0 263.385 2.494 10 0 CEAERO CN(C)C(C)(C)C[NH2+]Cc1cc2c(c(Cl)c1)OCO2 ZINC000037301153 173107153 /nfs/dbraw/zinc/10/71/53/173107153.db2.gz DJYMLLCVNKFACI-UHFFFAOYSA-N 1 0 284.787 2.499 10 0 CEAERO CC[C@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)C(C)C ZINC000037318933 173118899 /nfs/dbraw/zinc/11/88/99/173118899.db2.gz QLXSFAWFMJCBNN-AWEZNQCLSA-N 1 0 252.402 2.412 10 0 CEAERO Cc1ncsc1[C@H](C)[NH2+][C@H](C)Cn1cccn1 ZINC000037320053 173119902 /nfs/dbraw/zinc/11/99/02/173119902.db2.gz WVEAFRLQYJVVIZ-KOLCDFICSA-N 1 0 250.371 2.387 10 0 CEAERO Cc1nc2sccn2c1C[NH2+][C@@H](C)Cn1cccn1 ZINC000037319800 173119992 /nfs/dbraw/zinc/11/99/92/173119992.db2.gz XLSLYEPYJDXTCY-JTQLQIEISA-N 1 0 275.381 2.079 10 0 CEAERO [NH3+][C@H]1C[C@@H]1c1cc(Br)c2c(c1)OCCCO2 ZINC000037381758 173167623 /nfs/dbraw/zinc/16/76/23/173167623.db2.gz ORSRVWFSXGMYDJ-SCZZXKLOSA-N 1 0 284.153 2.425 10 0 CEAERO C[C@H](NC(=O)C[NH2+]C1CC1)C12CC3CC(CC(C3)C1)C2 ZINC000037386772 173169897 /nfs/dbraw/zinc/16/98/97/173169897.db2.gz RAIYTQBNBBZNCT-GVMDUPDNSA-N 1 0 276.424 2.460 10 0 CEAERO CC(C)[NH2+]CC(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000037495139 173235086 /nfs/dbraw/zinc/23/50/86/173235086.db2.gz QHCOQLOAVPNVRC-IUODEOHRSA-N 1 0 252.402 2.412 10 0 CEAERO CCN(C(=O)c1ccc(C)c(F)c1)C1CC[NH2+]CC1 ZINC000037537340 173256800 /nfs/dbraw/zinc/25/68/00/173256800.db2.gz MSNPAUWMLQUVSP-UHFFFAOYSA-N 1 0 264.344 2.348 10 0 CEAERO CCCN(C(=O)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000037541409 173263092 /nfs/dbraw/zinc/26/30/92/173263092.db2.gz OXMZTLZWFLHGBC-HNNXBMFYSA-N 1 0 260.381 2.220 10 0 CEAERO C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)CCC[NH3+])o1 ZINC000037802665 173741261 /nfs/dbraw/zinc/74/12/61/173741261.db2.gz QUMBNQLVVSIMRP-JQWIXIFHSA-N 1 0 250.342 2.100 10 0 CEAERO NC(=O)[C@H](Cc1ccccc1)[NH2+]C1CCCCCC1 ZINC000037970499 173920997 /nfs/dbraw/zinc/92/09/97/173920997.db2.gz KSQUKWKLFZHSTD-HNNXBMFYSA-N 1 0 260.381 2.395 10 0 CEAERO C[C@H](CNc1ccc(S(C)(=O)=O)cc1)[NH+]1CCCCC1 ZINC000038029307 174019299 /nfs/dbraw/zinc/01/92/99/174019299.db2.gz SZLQXPNFXJIWPE-CYBMUJFWSA-N 1 0 296.436 2.376 10 0 CEAERO C[C@H](OC[C@@H](O)C[NH2+]C[C@@H]1CCCOC1)c1ccccc1 ZINC000038045458 174053703 /nfs/dbraw/zinc/05/37/03/174053703.db2.gz PZOUQPBZDPEKPV-ZOBUZTSGSA-N 1 0 293.407 2.141 10 0 CEAERO C[C@@H](OC[C@@H](O)C[NH2+]C[C@@H]1CCCOC1)c1ccccc1 ZINC000038045459 174053863 /nfs/dbraw/zinc/05/38/63/174053863.db2.gz PZOUQPBZDPEKPV-VYDXJSESSA-N 1 0 293.407 2.141 10 0 CEAERO Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@H]2CCCOC2)c1 ZINC000038045390 174054091 /nfs/dbraw/zinc/05/40/91/174054091.db2.gz ICEZTLZKINCGKU-HZPDHXFCSA-N 1 0 293.407 2.059 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1OC(F)F ZINC000038049345 174060443 /nfs/dbraw/zinc/06/04/43/174060443.db2.gz PQDKLNPXNNFVGY-MNOVXSKESA-N 1 0 284.306 2.288 10 0 CEAERO COc1cc(C(=O)N[C@H]2CCCC[C@H]2[NH3+])ccc1C ZINC000038049421 174060654 /nfs/dbraw/zinc/06/06/54/174060654.db2.gz AFAJVUOGONEBAP-OLZOCXBDSA-N 1 0 262.353 2.003 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)COc1ccc(Cl)cc1 ZINC000038049731 174061088 /nfs/dbraw/zinc/06/10/88/174061088.db2.gz RPDIDKSCNIEKCX-OLZOCXBDSA-N 1 0 282.771 2.105 10 0 CEAERO CCS(=O)(=O)c1ccccc1N[C@@H]1CCCC[C@H]1[NH3+] ZINC000038050916 174062114 /nfs/dbraw/zinc/06/21/14/174062114.db2.gz STWFFJAFHWHABR-VXGBXAGGSA-N 1 0 282.409 2.162 10 0 CEAERO CC[C@H]([NH3+])[C@H](O)c1ccc(OC)c(Br)c1 ZINC000038052382 174063954 /nfs/dbraw/zinc/06/39/54/174063954.db2.gz KPSYGMVTABJMRF-GXSJLCMTSA-N 1 0 274.158 2.228 10 0 CEAERO CCC1CCC(N(C)C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000038059207 174069279 /nfs/dbraw/zinc/06/92/79/174069279.db2.gz CJFSVKQNBXUZCL-MOKVOYLWSA-N 1 0 252.402 2.413 10 0 CEAERO CCOC(=O)C1(N[C@H](C)CC)CC[NH+](C(C)C)CC1 ZINC000038067422 174079122 /nfs/dbraw/zinc/07/91/22/174079122.db2.gz AFLVZQXHMCURES-CYBMUJFWSA-N 1 0 270.417 2.181 10 0 CEAERO [NH3+]C[C@H](O)COc1ccc2ccccc2c1Br ZINC000038077685 174088228 /nfs/dbraw/zinc/08/82/28/174088228.db2.gz JEMRWCVGUOMRQE-JTQLQIEISA-N 1 0 296.164 2.301 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH2+]C)c1ccccc1 ZINC000038085924 174096993 /nfs/dbraw/zinc/09/69/93/174096993.db2.gz IVTXYNMVQBFRHX-CYBMUJFWSA-N 1 0 255.383 2.162 10 0 CEAERO C[C@H](c1cccc(OC(F)F)c1)N1CC[NH2+]CC1 ZINC000038086749 174097796 /nfs/dbraw/zinc/09/77/96/174097796.db2.gz XWMIAEYGESVOCF-SNVBAGLBSA-N 1 0 256.296 2.254 10 0 CEAERO C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccncc2)cc1F ZINC000039073403 174162283 /nfs/dbraw/zinc/16/22/83/174162283.db2.gz GKTGNYJDERYYJD-SECBINFHSA-N 1 0 259.284 2.493 10 0 CEAERO O=C(Nc1ccccc1O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000039947524 174176491 /nfs/dbraw/zinc/17/64/91/174176491.db2.gz FYSOHJDRUMJJQE-GMXVVIOVSA-N 1 0 260.337 2.251 10 0 CEAERO CCC[C@@H]1CN(Cc2cccc(C(=O)OC)c2)CC[NH2+]1 ZINC000039952530 174176937 /nfs/dbraw/zinc/17/69/37/174176937.db2.gz BBSGEOLYNKKWEE-OAHLLOKOSA-N 1 0 276.380 2.047 10 0 CEAERO COCCCn1c2ccccc2nc1[C@@H]1CCC[NH2+]1 ZINC000040163813 174196672 /nfs/dbraw/zinc/19/66/72/174196672.db2.gz INTACBNXMVMUNB-ZDUSSCGKSA-N 1 0 259.353 2.497 10 0 CEAERO COCCn1c(CCCCC[NH3+])nc2ccccc21 ZINC000040163854 174196743 /nfs/dbraw/zinc/19/67/43/174196743.db2.gz VNIDKUBEYASZEZ-UHFFFAOYSA-N 1 0 261.369 2.354 10 0 CEAERO COCCCn1c2cc(Cl)ccc2nc1CC[NH3+] ZINC000040403018 174253581 /nfs/dbraw/zinc/25/35/81/174253581.db2.gz PHXQRYQVIFNRAA-UHFFFAOYSA-N 1 0 267.760 2.227 10 0 CEAERO C[NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000040414464 174255764 /nfs/dbraw/zinc/25/57/64/174255764.db2.gz AVFOWYZBEXIJEN-ZETCQYMHSA-N 1 0 261.152 2.390 10 0 CEAERO Clc1nc2ccccc2nc1OC1CC[NH2+]CC1 ZINC000040434385 174261019 /nfs/dbraw/zinc/26/10/19/174261019.db2.gz CAMRADZNQFMHJI-UHFFFAOYSA-N 1 0 263.728 2.414 10 0 CEAERO CSCC[C@H]([NH3+])C(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000040467334 174275834 /nfs/dbraw/zinc/27/58/34/174275834.db2.gz YRQXMLNHKATVIY-GRYCIOLGSA-N 1 0 258.431 2.104 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)N[C@H](C)c1ccc(OC)c(OC)c1 ZINC000040491293 174292448 /nfs/dbraw/zinc/29/24/48/174292448.db2.gz PNUACVAQDNITJB-VXGBXAGGSA-N 1 0 294.395 2.269 10 0 CEAERO COC(=O)C[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000040491083 174292658 /nfs/dbraw/zinc/29/26/58/174292658.db2.gz LHQOARUMXRQGBM-WDEREUQCSA-N 1 0 281.352 2.306 10 0 CEAERO CCN1CCC[C@@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000040502588 174298970 /nfs/dbraw/zinc/29/89/70/174298970.db2.gz MYIALVMMXCFOET-QZTJIDSGSA-N 1 0 287.451 2.335 10 0 CEAERO CSCC[C@H]([NH3+])C(=O)N[C@H](C)c1sc(C)nc1C ZINC000040519080 174308429 /nfs/dbraw/zinc/30/84/29/174308429.db2.gz BXUIYHXJSVSLRZ-SCZZXKLOSA-N 1 0 287.454 2.018 10 0 CEAERO Cc1nc(C)c([C@@H](C)NC(=O)C[NH2+]C2CCCC2)s1 ZINC000040519070 174308755 /nfs/dbraw/zinc/30/87/55/174308755.db2.gz PPTRNHHNPYFCDV-SNVBAGLBSA-N 1 0 281.425 2.469 10 0 CEAERO CO[C@H]1C[NH2+][C@H](C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000040629962 174357996 /nfs/dbraw/zinc/35/79/96/174357996.db2.gz XOXGFEPYCKFRGK-KCJUWKMLSA-N 1 0 289.162 2.309 10 0 CEAERO CCOc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H](OC)C[NH2+]1 ZINC000040634371 174360332 /nfs/dbraw/zinc/36/03/32/174360332.db2.gz BJBXDTWATKKXPO-JQWIXIFHSA-N 1 0 298.770 2.054 10 0 CEAERO CO[C@@H]1C[NH2+][C@@H](c2nc(-c3ccccc3)c(C)[nH]2)C1 ZINC000040637908 174362031 /nfs/dbraw/zinc/36/20/31/174362031.db2.gz PKQUYUGRFRXHGZ-QWHCGFSZSA-N 1 0 257.337 2.435 10 0 CEAERO C[C@H]1CCC[C@@](CNCC(=O)OC(C)(C)C)([NH+](C)C)C1 ZINC000040669298 174367975 /nfs/dbraw/zinc/36/79/75/174367975.db2.gz KAYYASSEEZPWSD-XJKSGUPXSA-N 1 0 284.444 2.428 10 0 CEAERO CC(C)([NH2+]Cc1cccc(C(F)(F)F)c1)C(N)=O ZINC000040673951 174372168 /nfs/dbraw/zinc/37/21/68/174372168.db2.gz KZLSHSMXEAREKB-UHFFFAOYSA-N 1 0 260.259 2.059 10 0 CEAERO CN(C)c1cccc(Oc2ccc(C(N)=[NH2+])cn2)c1 ZINC000040714614 174382552 /nfs/dbraw/zinc/38/25/52/174382552.db2.gz YIMHCFMOOZIPNU-UHFFFAOYSA-N 1 0 256.309 2.224 10 0 CEAERO COc1ccc([C@H](C[NH3+])N2CC[C@@H](C)C2)cc1OC ZINC000040717448 174384798 /nfs/dbraw/zinc/38/47/98/174384798.db2.gz JKILIFIPQPQWIC-YPMHNXCESA-N 1 0 264.369 2.045 10 0 CEAERO CCc1c(C)nn(C[C@H](O)c2ccc(C[NH3+])cc2)c1C ZINC000040731776 174388835 /nfs/dbraw/zinc/38/88/35/174388835.db2.gz RFPQLMLIPHNFNS-INIZCTEOSA-N 1 0 273.380 2.255 10 0 CEAERO O=C(Nc1ccc(CCO)cc1)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000040739159 174390220 /nfs/dbraw/zinc/39/02/20/174390220.db2.gz KYHVMVHJKMDHLC-VNQPRFMTSA-N 1 0 288.391 2.081 10 0 CEAERO Cc1ccc(NC(=O)N2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040749777 174394310 /nfs/dbraw/zinc/39/43/10/174394310.db2.gz GUBORRASVINZIC-QXMXGUDHSA-N 1 0 259.353 2.481 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)CSc1ccccc1 ZINC000040749471 174394469 /nfs/dbraw/zinc/39/44/69/174394469.db2.gz PSTOZEQVIMZJJE-YHWZYXNKSA-N 1 0 276.405 2.259 10 0 CEAERO Cc1ccc2nc(CN3[C@@H]4CC[C@H]3CC([NH3+])C4)cn2c1 ZINC000040750272 174395028 /nfs/dbraw/zinc/39/50/28/174395028.db2.gz RZBFLHXLMQGUEV-LQDVMPOASA-N 1 0 270.380 2.097 10 0 CEAERO Cc1ccc(Nc2nc[nH+]c(NN(C)C)c2N)c(C)c1 ZINC000040755344 174396272 /nfs/dbraw/zinc/39/62/72/174396272.db2.gz GUDVKZOWDGACAZ-UHFFFAOYSA-N 1 0 272.356 2.308 10 0 CEAERO Nc1ccc(F)c(C(=O)NCC[NH+]2CCCCCC2)c1 ZINC000040766925 174398311 /nfs/dbraw/zinc/39/83/11/174398311.db2.gz UPCBPAULUSDXJC-UHFFFAOYSA-N 1 0 279.359 2.014 10 0 CEAERO CCOCC[NH2+]C1[C@@H]2CCC[C@H]1CN(C(C)C)C2 ZINC000040769201 174399682 /nfs/dbraw/zinc/39/96/82/174399682.db2.gz MAROXCKMZSHWPL-YIONKMFJSA-N 1 0 254.418 2.121 10 0 CEAERO CC(C)([NH3+])c1cn(Cc2ccc(F)cc2Cl)nn1 ZINC000070118721 414766558 /nfs/dbraw/zinc/76/65/58/414766558.db2.gz YKJRODOYOMLMAH-UHFFFAOYSA-N 1 0 268.723 2.313 10 0 CEAERO C[NH2+]CC1CCN(c2nc(C)cc(C(C)C)n2)CC1 ZINC000122559603 414789261 /nfs/dbraw/zinc/78/92/61/414789261.db2.gz GDRDRRZJCJKNME-UHFFFAOYSA-N 1 0 262.401 2.344 10 0 CEAERO O=C(C[NH2+][C@H]1C[C@H]2CC[C@@H]1C2)NCc1ccccc1 ZINC000041093012 174477810 /nfs/dbraw/zinc/47/78/10/174477810.db2.gz NTHNDSXFBOYFAR-ZNMIVQPWSA-N 1 0 258.365 2.081 10 0 CEAERO CC(NC(=O)[C@H]1CCC[C@@H]([NH3+])C1)(C1CC1)C1CC1 ZINC000662915345 414801690 /nfs/dbraw/zinc/80/16/90/414801690.db2.gz LOWXBFROJCXZHP-GXFFZTMASA-N 1 0 250.386 2.199 10 0 CEAERO C[NH+](C)CCCNC(=O)c1cccc(-c2nccs2)c1 ZINC000041450961 174554034 /nfs/dbraw/zinc/55/40/34/174554034.db2.gz MCKJSARXYYFLBZ-UHFFFAOYSA-N 1 0 289.404 2.492 10 0 CEAERO CO[C@H](CNC(=O)C1CCC([NH3+])CC1)C1CCCCC1 ZINC000662927810 414803741 /nfs/dbraw/zinc/80/37/41/414803741.db2.gz FVVFQKXSZPOLRF-YMAMQOFZSA-N 1 0 282.428 2.215 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)NCc1ccc(Cl)s1 ZINC000129083933 414811807 /nfs/dbraw/zinc/81/18/07/414811807.db2.gz ZUSATHBLANIWRJ-VIFPVBQESA-N 1 0 260.790 2.391 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)CCc1c[nH]c2ccccc12 ZINC000312472184 414865462 /nfs/dbraw/zinc/86/54/62/414865462.db2.gz MLIINVCSLLOBNC-BXUZGUMPSA-N 1 0 271.364 2.049 10 0 CEAERO CN(C(=O)CCCc1cccs1)[C@H](C[NH3+])C(F)(F)F ZINC000662976736 414816585 /nfs/dbraw/zinc/81/65/85/414816585.db2.gz PYHJUECSAFDSRO-SNVBAGLBSA-N 1 0 294.342 2.419 10 0 CEAERO Cc1ccc(C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)c(C)c1 ZINC000662976850 414817461 /nfs/dbraw/zinc/81/74/61/414817461.db2.gz QTNQRNDFFJPDCA-NSHDSACASA-N 1 0 274.286 2.265 10 0 CEAERO CN(C(=O)c1ccc2[nH]ccc2c1)[C@H](C[NH3+])C(F)(F)F ZINC000662987024 414818806 /nfs/dbraw/zinc/81/88/06/414818806.db2.gz LGFONZAKPZULFS-LLVKDONJSA-N 1 0 285.269 2.130 10 0 CEAERO C(COC[C@@H]1CCCO1)[NH2+]C1(C2CCC2)CCC1 ZINC000657263992 414822034 /nfs/dbraw/zinc/82/20/34/414822034.db2.gz IHJLKKVBSSZHQA-AWEZNQCLSA-N 1 0 253.386 2.494 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1ccnc2ccccc21 ZINC000132786320 414825100 /nfs/dbraw/zinc/82/51/00/414825100.db2.gz JSBSTJHKULLSDF-SMDDNHRTSA-N 1 0 269.348 2.092 10 0 CEAERO CCCC1N=NC(=S)N1[C@@H](C)C[NH+](CC)CC ZINC000041677808 174603032 /nfs/dbraw/zinc/60/30/32/174603032.db2.gz BQNUJXTXLKKCEB-JTQLQIEISA-N 1 0 256.419 2.422 10 0 CEAERO C[C@H]([NH3+])c1cccc(NC(=O)Nc2nncs2)c1 ZINC000041708067 174611558 /nfs/dbraw/zinc/61/15/58/174611558.db2.gz UPSCWLPJHAPLJM-ZETCQYMHSA-N 1 0 263.326 2.202 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(NC(=O)NCCC(=O)OC)cc1 ZINC000041717939 174616215 /nfs/dbraw/zinc/61/62/15/174616215.db2.gz BKXISAPNRXAJFT-LLVKDONJSA-N 1 0 293.367 2.042 10 0 CEAERO CCOC(=O)CCn1ccc2c1CC(C)(C)C[C@H]2[NH3+] ZINC000041734582 174620473 /nfs/dbraw/zinc/62/04/73/174620473.db2.gz IIXNVFOOYMNGBK-GFCCVEGCSA-N 1 0 264.369 2.414 10 0 CEAERO COc1ccc([C@@H](C)NC(=O)C[C@@H]2CCC[NH2+]2)c(OC)c1 ZINC000042166511 174648390 /nfs/dbraw/zinc/64/83/90/174648390.db2.gz WTVPOWGEFSPQPB-NEPJUHHUSA-N 1 0 292.379 2.023 10 0 CEAERO CCC(=O)Nc1cccc(NC(=O)C[C@@H]2CCC[NH2+]2)c1C ZINC000042167821 174649690 /nfs/dbraw/zinc/64/96/90/174649690.db2.gz RMWAXUUDISACRT-LBPRGKRZSA-N 1 0 289.379 2.424 10 0 CEAERO Cc1nc(C)c([C@@H](C)NC(=O)C[C@@H]2CCC[NH2+]2)s1 ZINC000042171149 174650971 /nfs/dbraw/zinc/65/09/71/174650971.db2.gz PTHWPXNLNFWOHF-KOLCDFICSA-N 1 0 267.398 2.079 10 0 CEAERO COc1ccccc1-c1c[nH]c(C[C@@H]2CCC[NH2+]2)n1 ZINC000042172897 174651905 /nfs/dbraw/zinc/65/19/05/174651905.db2.gz VARCIBJSSBBWLT-NSHDSACASA-N 1 0 257.337 2.380 10 0 CEAERO C[C@H](CCC1CC1)NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653156715 414928497 /nfs/dbraw/zinc/92/84/97/414928497.db2.gz JMNPWBNTTDBVAZ-FBIMIBRVSA-N 1 0 278.318 2.079 10 0 CEAERO C[C@@H]1CCCCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653157917 414928668 /nfs/dbraw/zinc/92/86/68/414928668.db2.gz QIEZDIHZBFWNFV-GMTAPVOTSA-N 1 0 278.318 2.033 10 0 CEAERO Cc1cccc(C(=O)CN2CCC(C[NH+](C)C)CC2)c1 ZINC000042395383 174708678 /nfs/dbraw/zinc/70/86/78/174708678.db2.gz XYCJDKVXGXYGTH-UHFFFAOYSA-N 1 0 274.408 2.451 10 0 CEAERO C[C@H]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653079314 414898388 /nfs/dbraw/zinc/89/83/88/414898388.db2.gz ZRIQDHLHBKQRGU-NNYUYHANSA-N 1 0 292.345 2.327 10 0 CEAERO CCS(=O)(=O)c1ccc(NCC[C@@H]([NH3+])C(C)C)cc1 ZINC000663275639 414901118 /nfs/dbraw/zinc/90/11/18/414901118.db2.gz AAJDZBMZORAUIF-CQSZACIVSA-N 1 0 284.425 2.266 10 0 CEAERO FC(F)(F)c1cc(NCC23CC(C2)C[NH2+]3)ccn1 ZINC000663275971 414901840 /nfs/dbraw/zinc/90/18/40/414901840.db2.gz SZFWVFSMXMSNOT-UHFFFAOYSA-N 1 0 257.259 2.264 10 0 CEAERO CC[C@@H](C)C[C@H](C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653091961 414903235 /nfs/dbraw/zinc/90/32/35/414903235.db2.gz OBHKNOKVXIHYFD-LMLFDSFASA-N 1 0 280.334 2.325 10 0 CEAERO C[NH2+]C[C@@H](C)Nc1ncnc2sc(C)c(C)c21 ZINC000663277957 414903632 /nfs/dbraw/zinc/90/36/32/414903632.db2.gz AMUZRODZYOLNNV-SSDOTTSWSA-N 1 0 250.371 2.328 10 0 CEAERO CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000042582484 174806536 /nfs/dbraw/zinc/80/65/36/174806536.db2.gz RDZYVISQRJDSOE-DGAVXFQQSA-N 1 0 252.402 2.460 10 0 CEAERO CN1C[C@H](C[NH2+]Cc2cccc(Br)c2)CC1=O ZINC000657694362 415051015 /nfs/dbraw/zinc/05/10/15/415051015.db2.gz LAJZPKCDEPZZTK-NSHDSACASA-N 1 0 297.196 2.017 10 0 CEAERO C[C@@H]([NH3+])[C@H](Sc1nncn1C)c1ccc(F)cc1 ZINC000042943219 174918827 /nfs/dbraw/zinc/91/88/27/174918827.db2.gz PKCPLZVRYVAFSB-KCJUWKMLSA-N 1 0 266.345 2.135 10 0 CEAERO Cc1cccc([C@@H]([C@@H](C)[NH3+])N2CCOCC2(C)C)c1 ZINC000042967008 174930743 /nfs/dbraw/zinc/93/07/43/174930743.db2.gz HZPUUMJGONRKSQ-UKRRQHHQSA-N 1 0 262.397 2.494 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccccc1Cl)N1CCC(CO)CC1 ZINC000043051238 174958792 /nfs/dbraw/zinc/95/87/92/174958792.db2.gz XYFBKSURXCKHDU-IAQYHMDHSA-N 1 0 282.815 2.433 10 0 CEAERO C[C@H]([NH3+])[C@@H](Oc1ccccc1C(N)=O)c1ccsc1 ZINC000043125035 174977491 /nfs/dbraw/zinc/97/74/91/174977491.db2.gz XKWWTFZQACFUAV-TVQRCGJNSA-N 1 0 276.361 2.314 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1cnn(C)c1)N1CCC[C@@H]1c1ccncc1 ZINC000043127699 174979125 /nfs/dbraw/zinc/97/91/25/174979125.db2.gz RJEMFGXEZICMJT-WQVCFCJDSA-N 1 0 285.395 2.041 10 0 CEAERO CCOc1ccc(O[C@H](c2cnn(C)c2)[C@@H](C)[NH3+])cc1 ZINC000043233265 174986441 /nfs/dbraw/zinc/98/64/41/174986441.db2.gz QNPXQUNBWSHUKY-ABAIWWIYSA-N 1 0 275.352 2.286 10 0 CEAERO CCC[NH2+][C@H](c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043301391 175002175 /nfs/dbraw/zinc/00/21/75/175002175.db2.gz CJEGHGHZXHAPIQ-LSDHHAIUSA-N 1 0 281.421 2.470 10 0 CEAERO COC1CCN([C@@H](C[NH3+])c2cccc(C)c2C)CC1 ZINC000043314612 175004797 /nfs/dbraw/zinc/00/47/97/175004797.db2.gz YJKOBBTZBGRQDA-INIZCTEOSA-N 1 0 262.397 2.414 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccco1)N1CCOC(C)(C)C1 ZINC000043335314 175011027 /nfs/dbraw/zinc/01/10/27/175011027.db2.gz MASJFWGIAUTZLC-WCQYABFASA-N 1 0 252.358 2.169 10 0 CEAERO C[C@H]([NH3+])[C@H](c1ccco1)N(C)CCc1ccncc1 ZINC000043335415 175011392 /nfs/dbraw/zinc/01/13/92/175011392.db2.gz HBDIFGLPRKUKLH-SWLSCSKDSA-N 1 0 259.353 2.237 10 0 CEAERO Cc1cc(=O)[nH]c(S[C@@H](c2ccco2)[C@@H](C)[NH3+])n1 ZINC000043338273 175012528 /nfs/dbraw/zinc/01/25/28/175012528.db2.gz GISBVTBKTNEMFJ-LDYMZIIASA-N 1 0 265.338 2.264 10 0 CEAERO C[C@H]([NH3+])[C@H](c1ccccn1)N(C)CCc1ccccn1 ZINC000043338983 175013219 /nfs/dbraw/zinc/01/32/19/175013219.db2.gz NMCODEWHHACRLT-XJKSGUPXSA-N 1 0 270.380 2.039 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccccn1)N(CCO)C1CCCC1 ZINC000043340874 175014538 /nfs/dbraw/zinc/01/45/38/175014538.db2.gz MQLJJXPKMPVGQQ-GDBMZVCRSA-N 1 0 277.412 2.097 10 0 CEAERO C[C@@H]([NH3+])[C@H](Oc1ccc2c(c1)OCO2)c1ccccn1 ZINC000043343115 175015977 /nfs/dbraw/zinc/01/59/77/175015977.db2.gz GDAIYEAISYVACH-BMIGLBTASA-N 1 0 272.304 2.278 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1cccnc1)N(C)Cc1ccccn1 ZINC000043346499 175017450 /nfs/dbraw/zinc/01/74/50/175017450.db2.gz FKAOFEQVHQKHDN-HZPDHXFCSA-N 1 0 270.380 2.387 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1ccncc1)N(C)CCc1ccccn1 ZINC000043353154 175020069 /nfs/dbraw/zinc/02/00/69/175020069.db2.gz BTZKELTVFORBMN-BBRMVZONSA-N 1 0 270.380 2.039 10 0 CEAERO CN(Cc1ccccc1F)[C@H](C[NH3+])c1ccncc1 ZINC000043353566 175020701 /nfs/dbraw/zinc/02/07/01/175020701.db2.gz MWMVZZHUDIJLHO-OAHLLOKOSA-N 1 0 259.328 2.353 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccncc1)N1CCCSCC1 ZINC000043354052 175021695 /nfs/dbraw/zinc/02/16/95/175021695.db2.gz LZKZKXZPHOYILT-ZIAGYGMSSA-N 1 0 265.426 2.299 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1ccncc1)N(CCO)C1CCCCC1 ZINC000043354612 175022745 /nfs/dbraw/zinc/02/27/45/175022745.db2.gz JKNUKXUQSPEBJU-CJNGLKHVSA-N 1 0 277.412 2.097 10 0 CEAERO [NH3+]C[C@@H](Oc1ccc2c(c1)CCC(=O)N2)c1ccncc1 ZINC000043355132 175023041 /nfs/dbraw/zinc/02/30/41/175023041.db2.gz PGTIHBQLKAOAGU-OAHLLOKOSA-N 1 0 283.331 2.045 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)N1CCOCC1(C)C ZINC000043364751 175025335 /nfs/dbraw/zinc/02/53/35/175025335.db2.gz IPKACPBMRDEUIQ-TZMCWYRMSA-N 1 0 266.385 2.477 10 0 CEAERO Cc1ccc([C@H](C[NH3+])Sc2nc(C)cc(=O)[nH]2)o1 ZINC000043367364 175027782 /nfs/dbraw/zinc/02/77/82/175027782.db2.gz DPBZKZXMKUBVSY-JTQLQIEISA-N 1 0 265.338 2.184 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](N1CCCSCC1)C(F)(F)F ZINC000043378215 175030380 /nfs/dbraw/zinc/03/03/80/175030380.db2.gz XJVXCVIIGKBEOU-RKDXNWHRSA-N 1 0 256.337 2.094 10 0 CEAERO CCOC1CCN([C@H]([C@H]([NH3+])CC)C(F)(F)F)CC1 ZINC000043377989 175030434 /nfs/dbraw/zinc/03/04/34/175030434.db2.gz XPXXHKRHCVUJSD-GHMZBOCLSA-N 1 0 268.323 2.156 10 0 CEAERO C[C@H]([NH3+])[C@H](Oc1ccc2c(c1)CCC(=O)N2)C(F)(F)F ZINC000043383324 175031129 /nfs/dbraw/zinc/03/11/29/175031129.db2.gz QPYKRTBKKVUXDA-MADCSZMMSA-N 1 0 288.269 2.228 10 0 CEAERO CC[C@H]([NH3+])[C@@H](OCCc1ccccn1)C(F)(F)F ZINC000043384881 175031741 /nfs/dbraw/zinc/03/17/41/175031741.db2.gz CVLFGJCFXCUQFB-WDEREUQCSA-N 1 0 262.275 2.309 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1ncccn1)C(F)(F)F ZINC000043385959 175032120 /nfs/dbraw/zinc/03/21/20/175032120.db2.gz JWJFUPOGJCBRQC-RQJHMYQMSA-N 1 0 251.277 2.237 10 0 CEAERO NC(=[NH2+])c1cc2c(nc1N(CC(F)(F)F)C1CC1)CCC2 ZINC000043406829 175037179 /nfs/dbraw/zinc/03/71/79/175037179.db2.gz HVULNDLDXNYJBM-UHFFFAOYSA-N 1 0 298.312 2.385 10 0 CEAERO CC[NH2+][C@@H]1CCC2(C[C@@H]1N1CCCC[C@@H]1C)OCCO2 ZINC000043810132 175109783 /nfs/dbraw/zinc/10/97/83/175109783.db2.gz VPEGWCBXVVDMCA-ZNMIVQPWSA-N 1 0 282.428 2.135 10 0 CEAERO CC[NH2+][C@H](CN1C[C@@H](C)O[C@@H](C)C1)c1cccc(OC)c1 ZINC000043811518 175110927 /nfs/dbraw/zinc/11/09/27/175110927.db2.gz SLXMCYHPCJPUSZ-JKIFEVAISA-N 1 0 292.423 2.455 10 0 CEAERO C[NH2+][C@H](CN1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000043813981 175111836 /nfs/dbraw/zinc/11/18/36/175111836.db2.gz TYSDLSMQZIWESZ-CQSZACIVSA-N 1 0 276.380 2.204 10 0 CEAERO CCC[NH2+][C@H]1CCOC[C@@H]1N(C)Cc1ccccc1 ZINC000043816610 175112375 /nfs/dbraw/zinc/11/23/75/175112375.db2.gz LNJGZZAISCAXTR-HOTGVXAUSA-N 1 0 262.397 2.276 10 0 CEAERO CCN(C[C@H]([NH2+]C)c1cc(OC)ccc1OC)C1CC1 ZINC000043821370 175114317 /nfs/dbraw/zinc/11/43/17/175114317.db2.gz QZIYZPQYQLQQCF-HNNXBMFYSA-N 1 0 278.396 2.449 10 0 CEAERO CCC[NH2+][C@H]1CCC2(C[C@@H]1N(CC)C(C)C)OCCO2 ZINC000043883149 175116101 /nfs/dbraw/zinc/11/61/01/175116101.db2.gz RJWWRHPEQDFIRY-GJZGRUSLSA-N 1 0 284.444 2.381 10 0 CEAERO CCOc1ccccc1[C@H](CN1CCC(OC)CC1)[NH2+]C ZINC000043890025 175117540 /nfs/dbraw/zinc/11/75/40/175117540.db2.gz LAILMAVSXNENIU-INIZCTEOSA-N 1 0 292.423 2.457 10 0 CEAERO CC[NH2+][C@@H](CN1CCC(OC)CC1)c1cccc(OC)c1 ZINC000043890221 175118098 /nfs/dbraw/zinc/11/80/98/175118098.db2.gz HFLKDIQGPHBTQZ-KRWDZBQOSA-N 1 0 292.423 2.457 10 0 CEAERO CCC[NH2+][C@H]1c2ccccc2OC[C@@H]1N1CCOC[C@@H]1C ZINC000043891912 175118747 /nfs/dbraw/zinc/11/87/47/175118747.db2.gz GJDCCPWEKXLHBS-QRTARXTBSA-N 1 0 290.407 2.209 10 0 CEAERO CC[NH2+][C@@H]1CCCC[C@H]1N(C)CCc1ccncc1 ZINC000043902163 175122834 /nfs/dbraw/zinc/12/28/34/175122834.db2.gz CXYDUAHXGWXBGF-HZPDHXFCSA-N 1 0 261.413 2.477 10 0 CEAERO C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1N(C)CCOC ZINC000043915362 175124087 /nfs/dbraw/zinc/12/40/87/175124087.db2.gz YILKSEIMRJYWMF-ZACQAIPSSA-N 1 0 276.424 2.489 10 0 CEAERO CC[C@@H]([C@H]([NH2+]C)c1ccccc1)N(C)CCOC ZINC000043915571 175124870 /nfs/dbraw/zinc/12/48/70/175124870.db2.gz NAJQJODMXCLSKK-LSDHHAIUSA-N 1 0 250.386 2.304 10 0 CEAERO CC[NH2+][C@@H](CN(C)CCOC)c1ccc(C)cc1 ZINC000043915709 175125299 /nfs/dbraw/zinc/12/52/99/175125299.db2.gz ARDOLGFOERDLEH-HNNXBMFYSA-N 1 0 250.386 2.224 10 0 CEAERO C[NH2+][C@@H](CN1CCOCC1(C)C)c1cc(C)ccc1OC ZINC000043916790 175125475 /nfs/dbraw/zinc/12/54/75/175125475.db2.gz VUSFURPJDPPTHW-HNNXBMFYSA-N 1 0 292.423 2.375 10 0 CEAERO CC[NH2+][C@H](CN1CCOCC1(C)C)c1ccccc1OC ZINC000043916982 175125797 /nfs/dbraw/zinc/12/57/97/175125797.db2.gz XEIIFXQPYNIUKQ-OAHLLOKOSA-N 1 0 292.423 2.457 10 0 CEAERO C[NH2+][C@@H]1CCCCCC[C@H]1N(C)C[C@@H]1CCCO1 ZINC000043965806 175127094 /nfs/dbraw/zinc/12/70/94/175127094.db2.gz ZSFMCUNNJPGJIQ-RRFJBIMHSA-N 1 0 254.418 2.408 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2C[C@@H]1N(CC)CCOC ZINC000043968643 175129902 /nfs/dbraw/zinc/12/99/02/175129902.db2.gz SKQXPSFOHZHXED-JKSUJKDBSA-N 1 0 262.397 2.230 10 0 CEAERO C[NH2+][C@H](CN(CCOC)C1CC1)c1ccc(C)cc1 ZINC000043969605 175130408 /nfs/dbraw/zinc/13/04/08/175130408.db2.gz IHADQLZAXWVIAJ-MRXNPFEDSA-N 1 0 262.397 2.366 10 0 CEAERO CCC[NH2+][C@@H](CC)[C@H](C)N(CCCOC)CCOC ZINC000043971084 175132231 /nfs/dbraw/zinc/13/22/31/175132231.db2.gz MMQQYFFBRJIJRD-GJZGRUSLSA-N 1 0 274.449 2.138 10 0 CEAERO CC[C@H]1CCc2nc(N3CC[NH2+]CC3)sc2C1 ZINC000044494105 175181581 /nfs/dbraw/zinc/18/15/81/175181581.db2.gz DMFWRTHCZMDUBB-JTQLQIEISA-N 1 0 251.399 2.068 10 0 CEAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H](C)c1cnn(C)c1 ZINC000044498702 175184565 /nfs/dbraw/zinc/18/45/65/175184565.db2.gz UFHCERQTOUELRO-TZMCWYRMSA-N 1 0 252.406 2.047 10 0 CEAERO COc1ccc(OC)c(CN2CCCC[C@@H]2C[NH3+])c1 ZINC000044539769 175200535 /nfs/dbraw/zinc/20/05/35/175200535.db2.gz SRMYRUCBFAPKIU-CYBMUJFWSA-N 1 0 264.369 2.017 10 0 CEAERO Cc1nc(CN(C)C(=O)C2([NH3+])CCCCC2)cs1 ZINC000044609786 175216572 /nfs/dbraw/zinc/21/65/72/175216572.db2.gz INQIAZZZNIJQSZ-UHFFFAOYSA-N 1 0 267.398 2.072 10 0 CEAERO C[NH2+][C@@H]1CCCc2cc(O[C@@H](C)C(=O)NC3CC3)ccc21 ZINC000044745311 175241473 /nfs/dbraw/zinc/24/14/73/175241473.db2.gz ICYMUSNZNFWRAD-MEDUHNTESA-N 1 0 288.391 2.329 10 0 CEAERO CC[NH2+][C@H]1CCCc2cc(OC[C@@H](C)C(N)=O)ccc21 ZINC000044745606 175241842 /nfs/dbraw/zinc/24/18/42/175241842.db2.gz DFKWSXIMENTFBW-ABAIWWIYSA-N 1 0 276.380 2.174 10 0 CEAERO CC[NH2+][C@@H]1CCCc2cc(O[C@@H](C)C(=O)NC)ccc21 ZINC000044745591 175241852 /nfs/dbraw/zinc/24/18/52/175241852.db2.gz FLYFCJCNIYUXQT-XHDPSFHLSA-N 1 0 276.380 2.187 10 0 CEAERO CCC[NH2+][C@H]1CCCc2cc(OCC(=O)NC)ccc21 ZINC000044745802 175241854 /nfs/dbraw/zinc/24/18/54/175241854.db2.gz RPXCJINBVYDTKF-HNNXBMFYSA-N 1 0 276.380 2.188 10 0 CEAERO Cc1cc(N)ccc1C(=O)NCC[NH+]1CCCCCC1 ZINC000044748985 175244173 /nfs/dbraw/zinc/24/41/73/175244173.db2.gz DQXGQUQENCSBMS-UHFFFAOYSA-N 1 0 275.396 2.183 10 0 CEAERO C[C@@H]1C[C@H](C)CN(C(=O)C2(C[NH3+])CCCCC2)C1 ZINC000044753386 175245867 /nfs/dbraw/zinc/24/58/67/175245867.db2.gz IOWWGPZQYRBLIF-BETUJISGSA-N 1 0 252.402 2.400 10 0 CEAERO [NH3+]CC1(C(=O)NCCc2cccc(F)c2)CCCCC1 ZINC000044762815 175246808 /nfs/dbraw/zinc/24/68/08/175246808.db2.gz RECASMPDPWFKEB-UHFFFAOYSA-N 1 0 278.371 2.394 10 0 CEAERO [NH3+]CC1(C(=O)NCc2cccc(F)c2)CCCCC1 ZINC000044762366 175246820 /nfs/dbraw/zinc/24/68/20/175246820.db2.gz DBXLEYGHHXRXAA-UHFFFAOYSA-N 1 0 264.344 2.351 10 0 CEAERO CC[C@H]1CO[C@@H](C)CN1C(=O)C1(C[NH3+])CCCCCC1 ZINC000044763304 175246991 /nfs/dbraw/zinc/24/69/91/175246991.db2.gz ATTGAEFXCHMALR-KBPBESRZSA-N 1 0 282.428 2.312 10 0 CEAERO CCCO[C@@H]1CCCN(C(=O)C(CC)(CC)C[NH3+])C1 ZINC000044764004 175247814 /nfs/dbraw/zinc/24/78/14/175247814.db2.gz QYHCSQXMPMIWEX-CYBMUJFWSA-N 1 0 270.417 2.169 10 0 CEAERO CCN(CC(F)(F)F)C(=O)C(CC)(CC)C[NH3+] ZINC000044764240 175248151 /nfs/dbraw/zinc/24/81/51/175248151.db2.gz PJBPRDFFUWBTDV-UHFFFAOYSA-N 1 0 254.296 2.162 10 0 CEAERO CC(C)N(CC(F)(F)F)C(=O)C1(C[NH3+])CCCC1 ZINC000044764266 175248342 /nfs/dbraw/zinc/24/83/42/175248342.db2.gz QTXUSSBFIIOMNI-UHFFFAOYSA-N 1 0 266.307 2.305 10 0 CEAERO COc1cccc(NC(=O)[C@@H](C[NH3+])Cc2ccccc2)c1 ZINC000044793958 175254347 /nfs/dbraw/zinc/25/43/47/175254347.db2.gz WVBIPZCSKHKSHC-CQSZACIVSA-N 1 0 284.359 2.451 10 0 CEAERO [NH3+]C[C@@H](Cc1ccccc1)C(=O)N1CCCCCC1 ZINC000044796214 175254789 /nfs/dbraw/zinc/25/47/89/175254789.db2.gz UOJGSPBBCGCECK-OAHLLOKOSA-N 1 0 260.381 2.207 10 0 CEAERO CCOc1ccc(OCC)c(NC(=O)[C@H](CC)C[NH3+])c1 ZINC000044798206 175255135 /nfs/dbraw/zinc/25/51/35/175255135.db2.gz CJQRREYCLQERQX-LLVKDONJSA-N 1 0 280.368 2.407 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000044802486 175256172 /nfs/dbraw/zinc/25/61/72/175256172.db2.gz UWNBRSKWFRRVEX-HZSPNIEDSA-N 1 0 252.402 2.400 10 0 CEAERO CC(C)[C@H](C[NH3+])C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000044806222 175256569 /nfs/dbraw/zinc/25/65/69/175256569.db2.gz XMYSORSRDFGMIT-GWCFXTLKSA-N 1 0 252.333 2.234 10 0 CEAERO C[C@@H](CNc1cc2c(cc1N)CC(=O)N2)[NH+]1CCCCC1 ZINC000044989212 175285843 /nfs/dbraw/zinc/28/58/43/175285843.db2.gz YVRNTNJPBVRTQK-NSHDSACASA-N 1 0 288.395 2.050 10 0 CEAERO Cc1nccc(Cn2c(N)[nH+]c3cc(Cl)ccc32)n1 ZINC000045005497 175288355 /nfs/dbraw/zinc/28/83/55/175288355.db2.gz IEYDKBCCAMULKP-UHFFFAOYSA-N 1 0 273.727 2.419 10 0 CEAERO COC(=O)c1cc(NC[C@@H](C)[NH+]2CCCCC2)ccc1N ZINC000045015610 175290933 /nfs/dbraw/zinc/29/09/33/175290933.db2.gz IGHCFNQOARPONB-GFCCVEGCSA-N 1 0 291.395 2.342 10 0 CEAERO CC[NH+](CC)CCn1cc(N[C@H](C)CCOC)cn1 ZINC000045037149 175294613 /nfs/dbraw/zinc/29/46/13/175294613.db2.gz BKEWFYCRWKPQCM-CYBMUJFWSA-N 1 0 268.405 2.062 10 0 CEAERO CC1(NC(=O)[C@H]2CCCN2C2CC[NH2+]CC2)CCCCC1 ZINC000045046962 175296358 /nfs/dbraw/zinc/29/63/58/175296358.db2.gz NUGPPOWADBAATQ-OAHLLOKOSA-N 1 0 293.455 2.042 10 0 CEAERO CC1(NS(=O)(=O)c2ccc(CC[NH3+])cc2)CCCCC1 ZINC000045047359 175296847 /nfs/dbraw/zinc/29/68/47/175296847.db2.gz ICNILJKFTVXUJG-UHFFFAOYSA-N 1 0 296.436 2.189 10 0 CEAERO CN(CC(C)(C)C)c1nc2c(cc1C(N)=[NH2+])CCC2 ZINC000045074203 175302687 /nfs/dbraw/zinc/30/26/87/175302687.db2.gz FNOKSKBPSRLUOF-UHFFFAOYSA-N 1 0 260.385 2.337 10 0 CEAERO C[C@H]([NH3+])c1ccc(S(=O)(=O)N(C)CC(C)(C)C)cc1 ZINC000045089930 175305267 /nfs/dbraw/zinc/30/52/67/175305267.db2.gz ZKAADVBFWGYZPR-NSHDSACASA-N 1 0 284.425 2.373 10 0 CEAERO COC(=O)c1cc(NC[C@@H]2CC[N@@H+](C(C)C)C2)ccc1N ZINC000045141372 175315888 /nfs/dbraw/zinc/31/58/88/175315888.db2.gz AYLHJONUNIOSEY-LBPRGKRZSA-N 1 0 291.395 2.198 10 0 CEAERO C[NH2+][C@H](C)c1cccc(NC(=O)NCc2cnn(C)c2)c1 ZINC000045141506 175316115 /nfs/dbraw/zinc/31/61/15/175316115.db2.gz NKMJGNQRQMGNRE-LLVKDONJSA-N 1 0 287.367 2.022 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]CCc1ccccn1 ZINC000045167403 175319176 /nfs/dbraw/zinc/31/91/76/175319176.db2.gz TUEPTKMISSLNFK-LLVKDONJSA-N 1 0 258.369 2.325 10 0 CEAERO CC[NH+](CC)CCN[C@H](C)c1c(C)nn(C)c1C ZINC000045167447 175319493 /nfs/dbraw/zinc/31/94/93/175319493.db2.gz KDMBTZUVSCUZLT-LLVKDONJSA-N 1 0 252.406 2.029 10 0 CEAERO Cc1nn(C)c(C)c1[C@H](C)NC[C@@H]1CCC[N@H+](C)C1 ZINC000045172731 175321454 /nfs/dbraw/zinc/32/14/54/175321454.db2.gz PYMBWAJMJHEGDQ-FZMZJTMJSA-N 1 0 264.417 2.029 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)[NH2+][C@@H](CN(C)C)C(C)C ZINC000045172434 175321653 /nfs/dbraw/zinc/32/16/53/175321653.db2.gz OSJKYENQYVRYRR-RISCZKNCSA-N 1 0 266.433 2.274 10 0 CEAERO Cc1nn(C)c(C)c1[C@H](C)[NH2+]C[C@H]1CCCCO1 ZINC000045172621 175321729 /nfs/dbraw/zinc/32/17/29/175321729.db2.gz KINCGSZUYRTUQD-GXFFZTMASA-N 1 0 251.374 2.257 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000045172124 175321845 /nfs/dbraw/zinc/32/18/45/175321845.db2.gz BXYRLEODUXWIOC-IUODEOHRSA-N 1 0 278.444 2.418 10 0 CEAERO CCC[NH2+][C@@](C)(CN(CC)c1ccccc1C)C(N)=O ZINC000045223015 175331405 /nfs/dbraw/zinc/33/14/05/175331405.db2.gz JUUMGPLVCFSZQC-INIZCTEOSA-N 1 0 277.412 2.065 10 0 CEAERO CCN(CC[C@@](C)([NH2+]C1CC1)C(N)=O)c1ccccc1C ZINC000045223112 175331508 /nfs/dbraw/zinc/33/15/08/175331508.db2.gz YOQOIWUEXASNRM-QGZVFWFLSA-N 1 0 289.423 2.207 10 0 CEAERO CCCC[N@H+](CC)C[C@](N)(C(=O)OC)c1ccccc1 ZINC000045223203 175331517 /nfs/dbraw/zinc/33/15/17/175331517.db2.gz DLRDMZYGCWAONE-MRXNPFEDSA-N 1 0 278.396 2.136 10 0 CEAERO CCC[NH2+][C@](C)(CC[N@@H+]1CCCC[C@@H]1C)C(=O)[O-] ZINC000045227032 175333489 /nfs/dbraw/zinc/33/34/89/175333489.db2.gz FXYWKYUUJOCCFI-GXTWGEPZSA-N 1 0 256.390 2.094 10 0 CEAERO CN[C@@](C[N@@H+]1CCC[C@@H](C)C1)(C(=O)OC)c1ccccc1 ZINC000045228351 175334104 /nfs/dbraw/zinc/33/41/04/175334104.db2.gz MVFSIZPQPZIPJD-RHSMWYFYSA-N 1 0 290.407 2.006 10 0 CEAERO CCCC[NH+](CCCC)C[C@](C)(NC(C)C)C(N)=O ZINC000045232735 175336177 /nfs/dbraw/zinc/33/61/77/175336177.db2.gz WBBURJAVNWKWTC-HNNXBMFYSA-N 1 0 271.449 2.131 10 0 CEAERO CCOC(=O)[C@@](C)(CC[N@H+](C)CC(C)C)NC1CC1 ZINC000045263718 175337746 /nfs/dbraw/zinc/33/77/46/175337746.db2.gz RIFAGLBRJMKJRM-OAHLLOKOSA-N 1 0 270.417 2.038 10 0 CEAERO CCCN[C@@](C)(CC[N@H+](CC)C(C)C)C(=O)OC ZINC000045265660 175338344 /nfs/dbraw/zinc/33/83/44/175338344.db2.gz ZRLCVLXRNVJGMB-AWEZNQCLSA-N 1 0 258.406 2.038 10 0 CEAERO CCN[C@@](C[N@H+](CC)C(C)C)(C(=O)OC)c1ccccc1 ZINC000045265409 175338346 /nfs/dbraw/zinc/33/83/46/175338346.db2.gz ADSWEMYIROSSIW-QGZVFWFLSA-N 1 0 292.423 2.395 10 0 CEAERO CCCCC[N@H+](C)C[C@](C)(NC(C)C)C(=O)OCC ZINC000045268162 175341060 /nfs/dbraw/zinc/34/10/60/175341060.db2.gz MPKALNRKAHVVAG-HNNXBMFYSA-N 1 0 272.433 2.428 10 0 CEAERO CCC[NH2+][C@@](C)(CC[N@H+](C)[C@@H](C)CCC)C(=O)[O-] ZINC000045271159 175342100 /nfs/dbraw/zinc/34/21/00/175342100.db2.gz MFUOVTSZTQNAKC-JSGCOSHPSA-N 1 0 258.406 2.340 10 0 CEAERO CCCN[C@](C)(CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(N)=O ZINC000045272164 175343242 /nfs/dbraw/zinc/34/32/42/175343242.db2.gz LZYFQMIMMMBDCT-ZMSDIMECSA-N 1 0 295.471 2.132 10 0 CEAERO CCN(CC[C@](C)([NH2+]C1CC1)C(N)=O)c1cccc(F)c1 ZINC000045275500 175345869 /nfs/dbraw/zinc/34/58/69/175345869.db2.gz STZKBDWXSPOFNT-INIZCTEOSA-N 1 0 293.386 2.038 10 0 CEAERO CCCC[N@H+](C[C@@](N)(C(=O)OC)c1ccccc1)C1CC1 ZINC000045276174 175346764 /nfs/dbraw/zinc/34/67/64/175346764.db2.gz MLHHSWXGWUHVHO-KRWDZBQOSA-N 1 0 290.407 2.278 10 0 CEAERO C[C@@](CC[N@@H+]1CCC[C@@H]1C1CCCC1)(NC1CC1)C(N)=O ZINC000045277436 175347214 /nfs/dbraw/zinc/34/72/14/175347214.db2.gz PAKGERMMIJTHTD-WBVHZDCISA-N 1 0 293.455 2.027 10 0 CEAERO CCC(CC)C[N@H+](CC)C[C@](N)(C(N)=O)c1ccccc1 ZINC000045277743 175347413 /nfs/dbraw/zinc/34/74/13/175347413.db2.gz JOLXTPXPVBKLCV-QGZVFWFLSA-N 1 0 291.439 2.084 10 0 CEAERO CCN[C@@](C)(CC[N@H+](CC(C)C)C1CC1)C(=O)OCC ZINC000045277560 175347811 /nfs/dbraw/zinc/34/78/11/175347811.db2.gz OVUWOEQGUPYGPH-INIZCTEOSA-N 1 0 284.444 2.428 10 0 CEAERO CCN[C@](C)(CC[N@H+](C)C1CCC(C)CC1)C(=O)OC ZINC000045280608 175350151 /nfs/dbraw/zinc/35/01/51/175350151.db2.gz RBXKYZGUUILMNR-ZBCRRDGASA-N 1 0 284.444 2.428 10 0 CEAERO CCCN[C@](C)(C[N@H+](CC1CC1)C(C)C)C(=O)OCC ZINC000045280981 175351416 /nfs/dbraw/zinc/35/14/16/175351416.db2.gz OOXOZXBXGMEWTB-MRXNPFEDSA-N 1 0 284.444 2.428 10 0 CEAERO CCCC[N@H+](C[C@@](C)(N)C(=O)OCC)[C@@H](C)CC ZINC000045282522 175352639 /nfs/dbraw/zinc/35/26/39/175352639.db2.gz DVLVPGRPIBUTFB-GXTWGEPZSA-N 1 0 258.406 2.168 10 0 CEAERO CCN[C@](C)(CCC[N@@H+]1CCCC[C@@H]1C)C(=O)OC ZINC000045376146 175366438 /nfs/dbraw/zinc/36/64/38/175366438.db2.gz JESDGYOXKQNMOW-DZGCQCFKSA-N 1 0 270.417 2.182 10 0 CEAERO CN[C@](C)(CCCC[NH+]1CCCCCC1)C(=O)OC ZINC000045377439 175366995 /nfs/dbraw/zinc/36/69/95/175366995.db2.gz AJVUBRCQFUGWOZ-OAHLLOKOSA-N 1 0 270.417 2.184 10 0 CEAERO CCOC(=O)[C@H](C[NH+]1[C@@H](C)CCC[C@@H]1C)NC(C)C ZINC000045379506 175368159 /nfs/dbraw/zinc/36/81/59/175368159.db2.gz ZTBQBFXDRLBDAY-IHRRRGAJSA-N 1 0 270.417 2.179 10 0 CEAERO CCCC[NH+](CCCC)C[C@H](NCC)C(=O)OCC ZINC000045380511 175369245 /nfs/dbraw/zinc/36/92/45/175369245.db2.gz UDGMIAPTZDKAFO-AWEZNQCLSA-N 1 0 272.433 2.430 10 0 CEAERO CCCN[C@@](C)(CCC[N@H+](C)C1CC1)C(=O)OCC ZINC000045383376 175371117 /nfs/dbraw/zinc/37/11/17/175371117.db2.gz LXZXYYMFGYYWRW-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CCC[N@H+](CCC[C@](C)(NC)C(=O)OCC)C(C)C ZINC000045385992 175372213 /nfs/dbraw/zinc/37/22/13/175372213.db2.gz UTRPXNNWVRGDMV-HNNXBMFYSA-N 1 0 272.433 2.428 10 0 CEAERO CCC[N@H+](CC)CCCC[C@@](C)(NC)C(=O)OC ZINC000045386883 175372607 /nfs/dbraw/zinc/37/26/07/175372607.db2.gz QUMUTCSJVIFPCL-CQSZACIVSA-N 1 0 258.406 2.040 10 0 CEAERO CCC[NH2+][C@](C)(CCC[N@H+](CC)CCC)C(=O)[O-] ZINC000045387010 175373133 /nfs/dbraw/zinc/37/31/33/175373133.db2.gz QVVVJBXITSZAPT-CQSZACIVSA-N 1 0 258.406 2.341 10 0 CEAERO CC[NH2+][C@](C)(CCCC[N@H+](C)[C@@H](C)C1CC1)C(=O)[O-] ZINC000045392792 175375605 /nfs/dbraw/zinc/37/56/05/175375605.db2.gz APPQPYHYSKOIMV-SWLSCSKDSA-N 1 0 270.417 2.340 10 0 CEAERO CCN[C@](C)(CCC[N@H+](C)[C@@H](C)C1CC1)C(=O)OC ZINC000045393014 175375666 /nfs/dbraw/zinc/37/56/66/175375666.db2.gz UYYYBGYZBFAPGV-SWLSCSKDSA-N 1 0 270.417 2.038 10 0 CEAERO CCC[NH2+][C@](C)(CCCC[N@H+](C)CC1CC1)C(=O)[O-] ZINC000045419898 175377916 /nfs/dbraw/zinc/37/79/16/175377916.db2.gz YNIFVEYXHZLXFT-OAHLLOKOSA-N 1 0 270.417 2.341 10 0 CEAERO CCOc1ccc(C[NH2+]CCc2c[nH]cn2)cc1OC ZINC000045946280 175387809 /nfs/dbraw/zinc/38/78/09/175387809.db2.gz MVKFAIHQSRFGND-UHFFFAOYSA-N 1 0 275.352 2.149 10 0 CEAERO CN1C[C@@H](C[NH2+]C2CC(c3ccccc3)C2)CC1=O ZINC000658244898 415280979 /nfs/dbraw/zinc/28/09/79/415280979.db2.gz VAZQPPDUGILQEE-LRVUVFPRSA-N 1 0 258.365 2.001 10 0 CEAERO CC(C)n1ccnc1C[N@@H+]1CCC[C@@H](C)[C@H]1CCO ZINC000661491175 415288829 /nfs/dbraw/zinc/28/88/29/415288829.db2.gz FXKXBYYTGLZIHR-ZIAGYGMSSA-N 1 0 265.401 2.447 10 0 CEAERO CC(C)[NH2+]C[C@H]1CC[C@@H](COc2cccnc2)O1 ZINC000052646692 175536474 /nfs/dbraw/zinc/53/64/74/175536474.db2.gz NLVTYEZZVHONCG-KGLIPLIRSA-N 1 0 250.342 2.006 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(F)cc1F ZINC000061884436 175657281 /nfs/dbraw/zinc/65/72/81/175657281.db2.gz DQVXMRZGQRTHTD-KWQFWETISA-N 1 0 269.295 2.214 10 0 CEAERO CS(=O)(=O)c1ccc(CNC(=[NH2+])c2ccccc2)cc1 ZINC000062993013 175680169 /nfs/dbraw/zinc/68/01/69/175680169.db2.gz KUMOOBOOEXDFMR-UHFFFAOYSA-N 1 0 288.372 2.205 10 0 CEAERO CCC1CCC(N(C)C(=O)[C@@]2(COC)CCC[NH2+]2)CC1 ZINC000659257765 415476012 /nfs/dbraw/zinc/47/60/12/415476012.db2.gz JFXZYKMXBDMLFD-XUJLQICISA-N 1 0 282.428 2.182 10 0 CEAERO C[NH2+][C@H](C)CCCOc1cc(OC)cc(OC)c1 ZINC000070142564 175874335 /nfs/dbraw/zinc/87/43/35/175874335.db2.gz HQRMOZCIZWHCNS-LLVKDONJSA-N 1 0 253.342 2.471 10 0 CEAERO CC[C@]1(C)C[C@@]([NH3+])(c2noc(C(F)(F)F)n2)CCO1 ZINC000070369664 175898447 /nfs/dbraw/zinc/89/84/47/175898447.db2.gz KOGXJQSPNRAESK-NXEZZACHSA-N 1 0 279.262 2.222 10 0 CEAERO COc1ccc([C@H](O)C[NH2+]C2CC2)c(Cl)c1OC ZINC000070374352 175899431 /nfs/dbraw/zinc/89/94/31/175899431.db2.gz ZIKIFGUVEZDHLY-SNVBAGLBSA-N 1 0 271.744 2.143 10 0 CEAERO Cc1cc(C)cc(C[C@@H]([NH3+])Cc2cccnc2N)c1 ZINC000070407442 175913590 /nfs/dbraw/zinc/91/35/90/175913590.db2.gz OSDHJUDNDAJMOA-OAHLLOKOSA-N 1 0 255.365 2.393 10 0 CEAERO C[C@@H]1CCCCC[N@@H+]1Cc1ccnc(C(N)=S)c1 ZINC000070409691 175913827 /nfs/dbraw/zinc/91/38/27/175913827.db2.gz VSSUYLIHVJACNP-LLVKDONJSA-N 1 0 263.410 2.480 10 0 CEAERO [NH3+]C1CCC(c2nc([C@@H]3C[C@H]4CC[C@@H]3O4)no2)CC1 ZINC000070427611 175923489 /nfs/dbraw/zinc/92/34/89/175923489.db2.gz ZGRNDDBQLHXYIY-IVVCIIHESA-N 1 0 263.341 2.089 10 0 CEAERO O=C(N[C@H]1CC[NH2+]C2(CCCCC2)C1)[C@@H]1CCSC1 ZINC000070437374 175932052 /nfs/dbraw/zinc/93/20/52/175932052.db2.gz YSYWXPHXFOAQBJ-OLZOCXBDSA-N 1 0 282.453 2.311 10 0 CEAERO [NH3+][C@H]1CCN(c2cc(-c3cccc(Cl)c3)[nH]n2)C1 ZINC000070460171 175942348 /nfs/dbraw/zinc/94/23/48/175942348.db2.gz FDBOIBGWZZERBS-NSHDSACASA-N 1 0 262.744 2.268 10 0 CEAERO C[NH2+]C[C@H](CCOCCOC)Cc1ccc(OC)cc1 ZINC000070483124 175953486 /nfs/dbraw/zinc/95/34/86/175953486.db2.gz PQVUZPMLSWHIOY-OAHLLOKOSA-N 1 0 281.396 2.126 10 0 CEAERO [NH3+][C@H]1CCN(c2c(Cl)cccc2C(F)(F)F)C1=O ZINC000070495323 175956248 /nfs/dbraw/zinc/95/62/48/175956248.db2.gz LACSQPPDXUOAFU-QMMMGPOBSA-N 1 0 278.661 2.423 10 0 CEAERO CCOC(=O)CC[C@H]([NH3+])c1ccc2c(c1)OC[C@@H](C)CO2 ZINC000070510476 175960434 /nfs/dbraw/zinc/96/04/34/175960434.db2.gz GRTURRCSHFZLQT-AAEUAGOBSA-N 1 0 293.363 2.437 10 0 CEAERO C[C@@](CO)(CCCN(CC(F)(F)F)C1CC1)[NH2+]C1CC1 ZINC000070513922 175962408 /nfs/dbraw/zinc/96/24/08/175962408.db2.gz IPSRGEPDZUJNNZ-ZDUSSCGKSA-N 1 0 294.361 2.296 10 0 CEAERO COc1ccc(OC[C@](CO)([NH2+]C(C)C)C2CC2)cc1 ZINC000070518985 175966072 /nfs/dbraw/zinc/96/60/72/175966072.db2.gz KUPXIHZOVAMNQQ-INIZCTEOSA-N 1 0 279.380 2.213 10 0 CEAERO C[NH2+][C@](C)(CO)C[C@H](C)Sc1ncnc2ccccc21 ZINC000070521033 175966546 /nfs/dbraw/zinc/96/65/46/175966546.db2.gz SRSDVSIIBLOJNL-NHYWBVRUSA-N 1 0 291.420 2.471 10 0 CEAERO CCC[C@@]1(C(=O)N[C@H]2COc3ccccc32)CCC[NH2+]C1 ZINC000070530706 175973391 /nfs/dbraw/zinc/97/33/91/175973391.db2.gz OHAQFOZAGNTXSP-WMLDXEAASA-N 1 0 288.391 2.406 10 0 CEAERO CC1CCC(CC[NH2+]CCN2CCOCC2)CC1 ZINC000070539366 175976593 /nfs/dbraw/zinc/97/65/93/175976593.db2.gz DXAXDGKNADZIHQ-UHFFFAOYSA-N 1 0 254.418 2.125 10 0 CEAERO CCCCCCN(CCO)C(=O)c1ccccc1CC[NH3+] ZINC000070552342 175981396 /nfs/dbraw/zinc/98/13/96/175981396.db2.gz URTDYQSLAPLBSH-UHFFFAOYSA-N 1 0 292.423 2.203 10 0 CEAERO COc1ccc(N(C)C(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000070578018 175993935 /nfs/dbraw/zinc/99/39/35/175993935.db2.gz RYCMVINRTCQZSC-RYUDHWBXSA-N 1 0 262.353 2.176 10 0 CEAERO CN1C(=O)CC[C@@H]([NH3+])[C@H]1c1ccccc1Br ZINC000070651112 175999258 /nfs/dbraw/zinc/99/92/58/175999258.db2.gz IWWUMWXRPLBUBF-ZYHUDNBSSA-N 1 0 283.169 2.070 10 0 CEAERO [NH3+][C@@H]1CCC(=O)N[C@@H]1c1c(Cl)cccc1Cl ZINC000070824352 176007360 /nfs/dbraw/zinc/00/73/60/176007360.db2.gz PPTMLZBXMLQHEM-KCJUWKMLSA-N 1 0 259.136 2.272 10 0 CEAERO Nc1ccc(SC[C@H]2C[NH2+]CCO2)c(Cl)c1 ZINC000070834409 176007818 /nfs/dbraw/zinc/00/78/18/176007818.db2.gz OMVVOIKEBJFYIR-SECBINFHSA-N 1 0 258.774 2.003 10 0 CEAERO Cc1cccc(C(=O)N(CC[NH3+])C2CCCC2)c1O ZINC000070943672 176016318 /nfs/dbraw/zinc/01/63/18/176016318.db2.gz JOHBZKMXCUHPNK-UHFFFAOYSA-N 1 0 262.353 2.044 10 0 CEAERO CC(C)N1C(=O)CC[C@H]([NH3+])[C@H]1c1cccc(F)c1 ZINC000070987008 176018365 /nfs/dbraw/zinc/01/83/65/176018365.db2.gz UVFXPDNQEXEJIK-GXTWGEPZSA-N 1 0 250.317 2.225 10 0 CEAERO Cc1ccsc1[C@H]1[C@H]([NH3+])CCC(=O)N1C1CC1 ZINC000070987140 176018424 /nfs/dbraw/zinc/01/84/24/176018424.db2.gz CVTHJJQLGDCGAN-ZYHUDNBSSA-N 1 0 250.367 2.210 10 0 CEAERO [NH3+][C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1cccc(F)c1F ZINC000070987543 176018582 /nfs/dbraw/zinc/01/85/82/176018582.db2.gz BQYQVDHAGYKEEA-BXUZGUMPSA-N 1 0 266.291 2.118 10 0 CEAERO Cc1cc(F)ccc1[C@H]1[C@H]([NH3+])CCC(=O)N1C1CC1 ZINC000070987368 176018656 /nfs/dbraw/zinc/01/86/56/176018656.db2.gz QPLKHLRTOHFCIZ-HIFRSBDPSA-N 1 0 262.328 2.287 10 0 CEAERO [NH3+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1cccc2cccnc21 ZINC000070987255 176018730 /nfs/dbraw/zinc/01/87/30/176018730.db2.gz JJFGVQYEHPKUJC-PBHICJAKSA-N 1 0 281.359 2.388 10 0 CEAERO CC(C)[NH2+][C@@H]1CCCN([C@H](C)Cc2ccco2)C1=O ZINC000071032184 176023176 /nfs/dbraw/zinc/02/31/76/176023176.db2.gz WWNMSEAUZUPEPX-TZMCWYRMSA-N 1 0 264.369 2.200 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN([C@@H](C)Cc2ccsc2)C1=O ZINC000071035398 176025337 /nfs/dbraw/zinc/02/53/37/176025337.db2.gz YISUKLLPLUWVQX-WCQYABFASA-N 1 0 266.410 2.278 10 0 CEAERO Cc1cc(C)c(N2CC[C@@H]([NH2+]C3CC3)C2=O)c(C)c1 ZINC000071035789 176025446 /nfs/dbraw/zinc/02/54/46/176025446.db2.gz DUYOLRUTDFQDNX-CQSZACIVSA-N 1 0 258.365 2.469 10 0 CEAERO C[NH2+][C@H]1CCCN([C@@H](C)c2sc(C)nc2C)C1=O ZINC000071036212 176025450 /nfs/dbraw/zinc/02/54/50/176025450.db2.gz JULPARKQOQTTFU-ONGXEEELSA-N 1 0 267.398 2.031 10 0 CEAERO C[NH2+][C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000071036192 176025663 /nfs/dbraw/zinc/02/56/63/176025663.db2.gz RVQRVQRYZXKHAO-LBPRGKRZSA-N 1 0 286.297 2.416 10 0 CEAERO Cc1ccc([C@@H](C)N2CC[C@H]([NH2+]C3CC3)C2=O)cc1 ZINC000071036612 176026160 /nfs/dbraw/zinc/02/61/60/176026160.db2.gz VFYJKCFGTNLZFW-DOMZBBRYSA-N 1 0 258.365 2.409 10 0 CEAERO CC[NH2+][C@H]1CCCN(Cc2ccc(Cl)cc2)C1=O ZINC000071038672 176027069 /nfs/dbraw/zinc/02/70/69/176027069.db2.gz YPCLVFVHJVSDKB-ZDUSSCGKSA-N 1 0 266.772 2.441 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCCN1CC1CCCCC1 ZINC000071039784 176027175 /nfs/dbraw/zinc/02/71/75/176027175.db2.gz UGTNOZFJHKGZEE-CQSZACIVSA-N 1 0 250.386 2.310 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCN1c1cccc2c1CCCC2 ZINC000071038209 176027222 /nfs/dbraw/zinc/02/72/22/176027222.db2.gz SUYWKPDFQYZQDZ-OAHLLOKOSA-N 1 0 270.376 2.423 10 0 CEAERO C[C@@H](C1CCCCC1)N1CC[C@H]([NH2+]C2CC2)C1=O ZINC000071043098 176029324 /nfs/dbraw/zinc/02/93/24/176029324.db2.gz UCPVKZRFVKGTRQ-FZMZJTMJSA-N 1 0 250.386 2.308 10 0 CEAERO C[C@@H](Cc1cccs1)N1CCC[C@H]([NH2+]C2CC2)C1=O ZINC000071043835 176029721 /nfs/dbraw/zinc/02/97/21/176029721.db2.gz ADJPGVBMMQLLPY-FZMZJTMJSA-N 1 0 278.421 2.422 10 0 CEAERO C[C@@H]([NH3+])c1cnn(C[C@@H]2OCCc3ccccc32)c1 ZINC000071098928 176032346 /nfs/dbraw/zinc/03/23/46/176032346.db2.gz XAEYXLORXWFBGP-ABAIWWIYSA-N 1 0 257.337 2.217 10 0 CEAERO CCC(CC)[C@@H]([NH3+])c1ccc2c(c1)C(=O)N(C)C(=O)C2 ZINC000071139384 176037892 /nfs/dbraw/zinc/03/78/92/176037892.db2.gz UVFJPASGIVNOBF-OAHLLOKOSA-N 1 0 274.364 2.277 10 0 CEAERO CCCC[C@@H]([NH3+])c1ccc2c(c1)C(=O)N(C)C(=O)C2 ZINC000071139382 176037928 /nfs/dbraw/zinc/03/79/28/176037928.db2.gz ZZRAXZKEENWREX-CYBMUJFWSA-N 1 0 260.337 2.031 10 0 CEAERO CC[C@H](C)[C@@H]([NH2+]C)c1ccc2c(c1)C(=O)N(C)C(=O)C2 ZINC000071139484 176038163 /nfs/dbraw/zinc/03/81/63/176038163.db2.gz YHJSDLFSYKQEFC-ZUZCIYMTSA-N 1 0 274.364 2.148 10 0 CEAERO [NH3+]C[C@H](Oc1cc(F)ccc1F)c1ccncc1 ZINC000071167340 176049559 /nfs/dbraw/zinc/04/95/59/176049559.db2.gz OQRHOVCMANCTKM-ZDUSSCGKSA-N 1 0 250.248 2.439 10 0 CEAERO C[NH2+][C@H]1CCCN([C@H](C)Cc2ccc(OC)cc2)C1 ZINC000071169816 176050621 /nfs/dbraw/zinc/05/06/21/176050621.db2.gz XNMDHYFMHPJOHL-HIFRSBDPSA-N 1 0 262.397 2.310 10 0 CEAERO CC(C)Oc1cncc(N[C@@H](C)[C@H]2CCC[NH2+]C2)n1 ZINC000071176065 176054833 /nfs/dbraw/zinc/05/48/33/176054833.db2.gz ZKSHNLCQYNCHLK-RYUDHWBXSA-N 1 0 264.373 2.064 10 0 CEAERO CCOc1cncc(N[C@]2(C[NH3+])CCC[C@H](C)C2)n1 ZINC000071177481 176055205 /nfs/dbraw/zinc/05/52/05/176055205.db2.gz KKTLPGWZOHSCHH-SMDDNHRTSA-N 1 0 264.373 2.195 10 0 CEAERO CC[NH2+][C@H](CC)c1ccccc1O[C@H]1CCN(C)C1=O ZINC000071182887 176057930 /nfs/dbraw/zinc/05/79/30/176057930.db2.gz MLHWRPQFZLKXQX-HIFRSBDPSA-N 1 0 276.380 2.357 10 0 CEAERO C[NH2+]Cc1c(O[C@H]2CCN(C)C2=O)ccc2ccccc21 ZINC000071183003 176057993 /nfs/dbraw/zinc/05/79/93/176057993.db2.gz XXTLPOSMSLBRAO-INIZCTEOSA-N 1 0 284.359 2.169 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(F)cc1O[C@H]1CCN(C)C1=O ZINC000071183191 176058734 /nfs/dbraw/zinc/05/87/34/176058734.db2.gz FVPJFWCASNUUIZ-MFKMUULPSA-N 1 0 280.343 2.106 10 0 CEAERO CC[NH+](CC)c1ccc(N[C@@H]2CCN(C)C2=O)cc1 ZINC000071183902 176058827 /nfs/dbraw/zinc/05/88/27/176058827.db2.gz QQCMCPMZHMSHBU-CQSZACIVSA-N 1 0 261.369 2.175 10 0 CEAERO Cc1ccc(F)c(C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000071189350 176064962 /nfs/dbraw/zinc/06/49/62/176064962.db2.gz LRVMOZFUFMZWED-GFCCVEGCSA-N 1 0 264.344 2.158 10 0 CEAERO C[C@@H](O)c1c(F)cccc1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189664 176065754 /nfs/dbraw/zinc/06/57/54/176065754.db2.gz XQFIZBZZMTZJFJ-VXGBXAGGSA-N 1 0 266.360 2.267 10 0 CEAERO C[N@@H+](Cc1ccccc1/C=C/C(=O)[O-])C[C@@H]1CC[NH+](C)C1 ZINC000071190544 176066233 /nfs/dbraw/zinc/06/62/33/176066233.db2.gz OJGLSBPKCTYWBP-HSBSLETESA-N 1 0 288.391 2.168 10 0 CEAERO C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1F ZINC000071207299 176080750 /nfs/dbraw/zinc/08/07/50/176080750.db2.gz YFUSXMJCEMMTCM-TVQRCGJNSA-N 1 0 250.317 2.203 10 0 CEAERO O=c1ccc(C(F)(F)F)cn1CC[NH2+]Cc1ccoc1 ZINC000071212133 176083719 /nfs/dbraw/zinc/08/37/19/176083719.db2.gz QXZAKIKFUMEZSX-UHFFFAOYSA-N 1 0 286.253 2.250 10 0 CEAERO CC[NH2+][C@@H]1CCN(Cc2scnc2C)C[C@@H]1C ZINC000071213126 176085028 /nfs/dbraw/zinc/08/50/28/176085028.db2.gz SNKHSKXVKUNDKQ-CMPLNLGQSA-N 1 0 253.415 2.271 10 0 CEAERO C[C@H]1CC[N@H+](Cc2ccc(F)cc2C(N)=S)C1 ZINC000071265873 176099526 /nfs/dbraw/zinc/09/95/26/176099526.db2.gz QMFJLPDEAHVLAY-VIFPVBQESA-N 1 0 252.358 2.302 10 0 CEAERO COC[C@H](O)C[NH2+][C@@H](c1ccccc1)c1ccc(O)cc1 ZINC000071267599 176100875 /nfs/dbraw/zinc/10/08/75/176100875.db2.gz ZUVYUKYCJGJNPD-SJORKVTESA-N 1 0 287.359 2.079 10 0 CEAERO Cc1nn(Cc2ccc(F)cc2C(N)=[NH2+])c(C)c1C ZINC000071268080 176101606 /nfs/dbraw/zinc/10/16/06/176101606.db2.gz YKWXZWVGUGJJBV-UHFFFAOYSA-N 1 0 260.316 2.280 10 0 CEAERO NC(=[NH2+])c1cc(F)ccc1COc1cccc(CO)c1 ZINC000071268331 176102167 /nfs/dbraw/zinc/10/21/67/176102167.db2.gz OTDXKADAHZWJIJ-UHFFFAOYSA-N 1 0 274.295 2.181 10 0 CEAERO Cc1nccc(CN2Cc3ccc(F)cc3C2=[NH2+])n1 ZINC000071269082 176102981 /nfs/dbraw/zinc/10/29/81/176102981.db2.gz CJNNVOPRJYMZPY-UHFFFAOYSA-N 1 0 256.284 2.265 10 0 CEAERO CCOC(=O)CCCCC[NH2+][C@@H](CO)CC(C)C ZINC000071293700 176111637 /nfs/dbraw/zinc/11/16/37/176111637.db2.gz XBVRWUCZMMUWQS-CYBMUJFWSA-N 1 0 259.390 2.107 10 0 CEAERO CCOC(=O)CCCCC[N@H+](CC(=O)OCC)C(C)C ZINC000071297918 176112839 /nfs/dbraw/zinc/11/28/39/176112839.db2.gz IHPRNYXHLBCWEN-UHFFFAOYSA-N 1 0 287.400 2.383 10 0 CEAERO COc1ccc([C@@H](C)N(C)[C@@H]2CC[NH2+]C2)c(OC)c1 ZINC000071309717 176116698 /nfs/dbraw/zinc/11/66/98/176116698.db2.gz LFLOSVHPAAKKPS-VXGBXAGGSA-N 1 0 264.369 2.059 10 0 CEAERO CCN(Cc1noc(-c2ccc(F)cc2)n1)[C@H]1CC[NH2+]C1 ZINC000071312985 176119875 /nfs/dbraw/zinc/11/98/75/176119875.db2.gz FFFPGQSERQIBKC-ZDUSSCGKSA-N 1 0 290.342 2.060 10 0 CEAERO CCCN(c1ncnc2ccsc21)[C@H]1CC[NH2+]C1 ZINC000071332850 176126084 /nfs/dbraw/zinc/12/60/84/176126084.db2.gz PCZRBDDVRCNJDU-JTQLQIEISA-N 1 0 262.382 2.270 10 0 CEAERO Cn1nccc1CNC1=[NH+]C2(CS1)CCCCC2 ZINC000071334606 176126500 /nfs/dbraw/zinc/12/65/00/176126500.db2.gz AYQRHEGWOARWHZ-UHFFFAOYSA-N 1 0 264.398 2.315 10 0 CEAERO Cn1nccc1Cn1ccc2c1CC(C)(C)C[C@@H]2[NH3+] ZINC000071334980 176126892 /nfs/dbraw/zinc/12/68/92/176126892.db2.gz GUHNZVMEKQBOPD-ZDUSSCGKSA-N 1 0 258.369 2.242 10 0 CEAERO Cc1cc(C)cc(C(=O)NC[C@H]2[NH2+]CCC[C@H]2C)c1 ZINC000071338516 176128608 /nfs/dbraw/zinc/12/86/08/176128608.db2.gz KPPGSENZXHNRIH-UKRRQHHQSA-N 1 0 260.381 2.421 10 0 CEAERO Cc1ccc(C(=O)NC[C@@H]2[NH2+]CCC[C@H]2C)cc1C ZINC000071338589 176129182 /nfs/dbraw/zinc/12/91/82/176129182.db2.gz MRNKEGGPHBQGTP-DOMZBBRYSA-N 1 0 260.381 2.421 10 0 CEAERO Cc1ccc(F)cc1C(=O)NC[C@@H]1[NH2+]CCC[C@@H]1C ZINC000071338875 176129393 /nfs/dbraw/zinc/12/93/93/176129393.db2.gz SUMHOHLORUINPN-FZMZJTMJSA-N 1 0 264.344 2.252 10 0 CEAERO Cn1cc(CN2CC(C)(C)[NH2+]C[C@@H]2c2ccccc2)cn1 ZINC000071342973 176130974 /nfs/dbraw/zinc/13/09/74/176130974.db2.gz ULIUBQTUVQMMRR-MRXNPFEDSA-N 1 0 284.407 2.345 10 0 CEAERO CC[C@@H]1C[N@H+](CCCn2ccnc2)[C@@](C)(C2CC2)CN1 ZINC000071345564 176131632 /nfs/dbraw/zinc/13/16/32/176131632.db2.gz WCKWKJOQCRBBNH-HZPDHXFCSA-N 1 0 276.428 2.126 10 0 CEAERO CCC[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1CCn1cccn1 ZINC000071346875 176131807 /nfs/dbraw/zinc/13/18/07/176131807.db2.gz NFVJBEPUSIBHCJ-LSDHHAIUSA-N 1 0 278.444 2.372 10 0 CEAERO CCC[C@H]1C[NH2+][C@H](C(C)(C)C)CN1Cc1ncccn1 ZINC000071346687 176131956 /nfs/dbraw/zinc/13/19/56/176131956.db2.gz NUHLNRLNJRKBBP-KBPBESRZSA-N 1 0 276.428 2.465 10 0 CEAERO COc1cccc(CN2C[C@H](CC(C)C)[NH2+]C[C@@H]2C)n1 ZINC000071349565 176132586 /nfs/dbraw/zinc/13/25/86/176132586.db2.gz DUPFCJMHFULHRT-ZFWWWQNUSA-N 1 0 277.412 2.299 10 0 CEAERO C[C@H]1CCCC[C@H]1[N@H+](C)CCCn1ccc(N)n1 ZINC000071352348 176135040 /nfs/dbraw/zinc/13/50/40/176135040.db2.gz ODFWGGYCZLFLNW-QWHCGFSZSA-N 1 0 250.390 2.366 10 0 CEAERO CC[C@H](C)[C@@H]1CN(Cc2cnn(C)c2)[C@H](C(C)C)C[NH2+]1 ZINC000071354997 176136623 /nfs/dbraw/zinc/13/66/23/176136623.db2.gz NUNNAZISUQOUDV-BPUTZDHNSA-N 1 0 278.444 2.265 10 0 CEAERO CC[C@]1(C)CN(Cc2cccc(OC)n2)[C@H](C2CC2)C[NH2+]1 ZINC000071357330 176137973 /nfs/dbraw/zinc/13/79/73/176137973.db2.gz WARXJWALKHIQJQ-DOTOQJQBSA-N 1 0 289.423 2.443 10 0 CEAERO Cn1c(C[NH3+])nnc1SCc1cccc2cccnc21 ZINC000071373683 176139208 /nfs/dbraw/zinc/13/92/08/176139208.db2.gz JBNLXLDHEKJXTO-UHFFFAOYSA-N 1 0 285.376 2.114 10 0 CEAERO CC(C)n1c(C[NH3+])nnc1SCc1ccco1 ZINC000071374460 176139405 /nfs/dbraw/zinc/13/94/05/176139405.db2.gz YILIWWUNPGBFNI-UHFFFAOYSA-N 1 0 252.343 2.203 10 0 CEAERO CC(C)(C)C1CC[NH+](CCn2ccc(N)n2)CC1 ZINC000071378231 176143060 /nfs/dbraw/zinc/14/30/60/176143060.db2.gz KVAQODPGGGARCP-UHFFFAOYSA-N 1 0 250.390 2.223 10 0 CEAERO COCC[N@H+](Cc1cc(C)ccc1N)[C@@H](C)COC ZINC000071383889 176147011 /nfs/dbraw/zinc/14/70/11/176147011.db2.gz FFUHEZXGYAEWHJ-ZDUSSCGKSA-N 1 0 266.385 2.061 10 0 CEAERO CN(CC1CC1)c1nc2ccccc2cc1C(N)=[NH2+] ZINC000071390103 176148470 /nfs/dbraw/zinc/14/84/70/176148470.db2.gz YEBCQPXFBFJKEI-UHFFFAOYSA-N 1 0 254.337 2.365 10 0 CEAERO CN(C[C@@H]1CCCO1)c1nc2ccccc2cc1C(N)=[NH2+] ZINC000071390132 176148515 /nfs/dbraw/zinc/14/85/15/176148515.db2.gz BEFDKSMYQKFHCR-LBPRGKRZSA-N 1 0 284.363 2.134 10 0 CEAERO C[C@@H](Oc1ccc(C[NH3+])cc1C(F)(F)F)C(=O)N(C)C ZINC000071398401 176151790 /nfs/dbraw/zinc/15/17/90/176151790.db2.gz MAQLLZOHNUTMMU-MRVPVSSYSA-N 1 0 290.285 2.020 10 0 CEAERO Cc1ccc(OCC(=O)N(C)C)c(C[NH2+]CC(C)C)c1 ZINC000071407366 176156303 /nfs/dbraw/zinc/15/63/03/176156303.db2.gz FWKHWVZAAZRAHL-UHFFFAOYSA-N 1 0 278.396 2.208 10 0 CEAERO COC(=O)[C@@H](C)Oc1ccc(C)cc1C[NH2+]C1CC1 ZINC000071406846 176156334 /nfs/dbraw/zinc/15/63/34/176156334.db2.gz MUTJISRVHDNCHG-LLVKDONJSA-N 1 0 263.337 2.187 10 0 CEAERO Cc1ccc(O[C@@H](C)C(=O)NC(C)C)c(C[C@@H](C)[NH3+])c1 ZINC000071411711 176156953 /nfs/dbraw/zinc/15/69/53/176156953.db2.gz KYHKEUIPICGNBQ-OLZOCXBDSA-N 1 0 278.396 2.177 10 0 CEAERO CCN(CC)C(=O)COc1ccc(C)cc1C[C@@H](C)[NH3+] ZINC000071412041 176157585 /nfs/dbraw/zinc/15/75/85/176157585.db2.gz FKINGZNZESHXGJ-CYBMUJFWSA-N 1 0 278.396 2.132 10 0 CEAERO CCC[C@]1(C(=O)Nc2cnccc2C)CCC[NH2+]C1 ZINC000071414204 176159426 /nfs/dbraw/zinc/15/94/26/176159426.db2.gz AGQYLRWGVBRGIV-HNNXBMFYSA-N 1 0 261.369 2.498 10 0 CEAERO COc1ccc(I)cc1[C@H](C)[NH3+] ZINC000071463196 176179825 /nfs/dbraw/zinc/17/98/25/176179825.db2.gz UBDDSAAEFIGMMU-LURJTMIESA-N 1 0 277.105 2.320 10 0 CEAERO CC[NH+](CC)CCn1cc(Br)cc(C)c1=O ZINC000071517346 176194208 /nfs/dbraw/zinc/19/42/08/176194208.db2.gz ZPNYUJOBVKJDLM-UHFFFAOYSA-N 1 0 287.201 2.261 10 0 CEAERO CC[NH+](CC)CCn1c(C)nc2sc(C)cc2c1=O ZINC000071527882 176194406 /nfs/dbraw/zinc/19/44/06/176194406.db2.gz LLDSKEUFRULNKO-UHFFFAOYSA-N 1 0 279.409 2.417 10 0 CEAERO CCCCCNC(=O)c1nc2ccccn2c1C[NH+](C)C ZINC000071543065 176196077 /nfs/dbraw/zinc/19/60/77/176196077.db2.gz NMJFKBGZTFBJQV-UHFFFAOYSA-N 1 0 288.395 2.316 10 0 CEAERO CC[C@H]([NH2+]C)C(=O)c1ccc(OC)c(C)c1OC ZINC000071573211 176199696 /nfs/dbraw/zinc/19/96/96/176199696.db2.gz HTOWEXRTXXUGDB-NSHDSACASA-N 1 0 251.326 2.193 10 0 CEAERO [NH3+]CCc1cn(Cc2c(F)cccc2Cl)cn1 ZINC000071575072 176202457 /nfs/dbraw/zinc/20/24/57/176202457.db2.gz CJKDUNJPSRKRQU-UHFFFAOYSA-N 1 0 253.708 2.225 10 0 CEAERO Brc1ccc([C@H]2C[NH2+]CCOC2)cc1 ZINC000071577315 176205587 /nfs/dbraw/zinc/20/55/87/176205587.db2.gz WWGUVIDNIBZLRH-JTQLQIEISA-N 1 0 256.143 2.153 10 0 CEAERO O[C@@H](C[NH2+]C1CC1)Cc1cccc(C(F)(F)F)c1 ZINC000071585106 176210630 /nfs/dbraw/zinc/21/06/30/176210630.db2.gz BROZYXFHDIIYRB-GFCCVEGCSA-N 1 0 259.271 2.361 10 0 CEAERO C[C@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)c1ccccc1Br ZINC000662445353 415846482 /nfs/dbraw/zinc/84/64/82/415846482.db2.gz GUTRUIDRSLTMHI-GUBZILKMSA-N 1 0 297.196 2.364 10 0 CEAERO Cc1nsc(N2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000656609046 415784411 /nfs/dbraw/zinc/78/44/11/415784411.db2.gz KKIGNUGVCUTHQI-GFCCVEGCSA-N 1 0 266.414 2.063 10 0 CEAERO Cc1cnc(C)c(N2CCC([C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000656608479 415784453 /nfs/dbraw/zinc/78/44/53/415784453.db2.gz KJSQZPBWHQANSS-OAHLLOKOSA-N 1 0 274.412 2.309 10 0 CEAERO Fc1ccc(N2CCC[C@@H](C3CC[NH2+]CC3)C2)nc1 ZINC000656608456 415785387 /nfs/dbraw/zinc/78/53/87/415785387.db2.gz KFEISRGWVNBQNY-CYBMUJFWSA-N 1 0 263.360 2.437 10 0 CEAERO CO[C@H](CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)C1CCCC1 ZINC000659930172 415789148 /nfs/dbraw/zinc/78/91/48/415789148.db2.gz XVULRVJKQZUROS-CWRNSKLLSA-N 1 0 266.429 2.360 10 0 CEAERO CC[C@@H]([NH2+]C)C(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000662346943 415794447 /nfs/dbraw/zinc/79/44/47/415794447.db2.gz GDPPKZDASQAWNH-QPUJVOFHSA-N 1 0 256.296 2.140 10 0 CEAERO CCOc1ccccc1OCCOCC(C)(C)[NH3+] ZINC000074532229 176579375 /nfs/dbraw/zinc/57/93/75/176579375.db2.gz QGJDYNPXRSBAHG-UHFFFAOYSA-N 1 0 253.342 2.218 10 0 CEAERO Cc1csc([C@@H](C)[NH2+]CC2(O)CCSCC2)n1 ZINC000660266198 415947855 /nfs/dbraw/zinc/94/78/55/415947855.db2.gz OKSJEFNVDLBSHU-SNVBAGLBSA-N 1 0 272.439 2.360 10 0 CEAERO C[NH2+]CC(=O)N[C@H](C)c1ccc(C(C)C)cc1OC ZINC000076368896 177006039 /nfs/dbraw/zinc/00/60/39/177006039.db2.gz OJPJNMSVINIUPR-LLVKDONJSA-N 1 0 264.369 2.215 10 0 CEAERO COc1cc(N(C)C[C@@H](C)C[NH3+])c(OC)cc1Cl ZINC000076416214 177021984 /nfs/dbraw/zinc/02/19/84/177021984.db2.gz CTRVLQPSNISKPH-VIFPVBQESA-N 1 0 272.776 2.388 10 0 CEAERO CC(C)CNC(=O)C[C@H](C[NH3+])c1cccc(F)c1 ZINC000076656636 177045895 /nfs/dbraw/zinc/04/58/95/177045895.db2.gz PMLLGBOPHNVPIQ-GFCCVEGCSA-N 1 0 252.333 2.030 10 0 CEAERO CC(C)NC(=O)CC[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000076656714 177046133 /nfs/dbraw/zinc/04/61/33/177046133.db2.gz RBKMFGUCMKFMJC-LBPRGKRZSA-N 1 0 252.333 2.173 10 0 CEAERO COc1ccccc1[C@@H](CC[NH3+])C(=O)NC(C)(C)C ZINC000076679944 177057802 /nfs/dbraw/zinc/05/78/02/177057802.db2.gz KDYBWTPLSOMPRY-GFCCVEGCSA-N 1 0 264.369 2.042 10 0 CEAERO CC1(C)CO[C@@H]2CCN(Cc3ccccc3)C[C@@H]2[NH2+]1 ZINC000076698266 177061332 /nfs/dbraw/zinc/06/13/32/177061332.db2.gz PQPJSZMOPKDYBI-LSDHHAIUSA-N 1 0 260.381 2.028 10 0 CEAERO CSC[C@H](C)NC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000077570037 177281997 /nfs/dbraw/zinc/28/19/97/177281997.db2.gz HSUSAANHEVCMIW-NWDGAFQWSA-N 1 0 275.462 2.013 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CC[C@@H]1CCCO1 ZINC000077730548 177296595 /nfs/dbraw/zinc/29/65/95/177296595.db2.gz CXKQOIBMPSCOQP-KGLIPLIRSA-N 1 0 270.417 2.038 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc(Cl)c[nH]1 ZINC000077729935 177296735 /nfs/dbraw/zinc/29/67/35/177296735.db2.gz SIRAGMRJRWIBQR-LLVKDONJSA-N 1 0 271.792 2.374 10 0 CEAERO COC[C@H]1CC[N@H+](C[C@@H](O)c2ccc(C)cc2C)C1 ZINC000077897553 177307949 /nfs/dbraw/zinc/30/79/49/177307949.db2.gz ULNFZBPQNIMEEA-GOEBONIOSA-N 1 0 263.381 2.305 10 0 CEAERO CC(C)[N@H+](C[C@@H](O)COCc1ccccc1)C1CC1 ZINC000078534624 177350924 /nfs/dbraw/zinc/35/09/24/177350924.db2.gz KBKNZSLBPVNEFR-MRXNPFEDSA-N 1 0 263.381 2.437 10 0 CEAERO CCn1c(C)cc(C[NH2+][C@@H](C)Cn2ccnc2)c1C ZINC000078739585 177379813 /nfs/dbraw/zinc/37/98/13/177379813.db2.gz RXDOBKFEWAMXFA-LBPRGKRZSA-N 1 0 260.385 2.500 10 0 CEAERO c1ccc(COc2cncc(N3CCC[NH2+]CC3)c2)cc1 ZINC000078766766 177384277 /nfs/dbraw/zinc/38/42/77/177384277.db2.gz FPEVSMLOJHMQSN-UHFFFAOYSA-N 1 0 283.375 2.460 10 0 CEAERO CCOc1cc2c(cc1C[NH2+]CC[C@@H](C)O)O[C@H](C)C2 ZINC000078781943 177388034 /nfs/dbraw/zinc/38/80/34/177388034.db2.gz YXNOVPBJOSIUAN-VXGBXAGGSA-N 1 0 279.380 2.269 10 0 CEAERO C[C@H](CC[NH3+])CCC(=O)N1CCc2sccc2C1 ZINC000079077722 177429325 /nfs/dbraw/zinc/42/93/25/177429325.db2.gz BWERZRIOPXQTBM-NSHDSACASA-N 1 0 266.410 2.398 10 0 CEAERO C[C@@H](CC[NH3+])CCC(=O)N(C)CCc1ccccc1 ZINC000079118615 177436627 /nfs/dbraw/zinc/43/66/27/177436627.db2.gz VEZKIIMDLKKVDQ-CQSZACIVSA-N 1 0 262.397 2.453 10 0 CEAERO C[C@@H](CC[NH3+])CCC(=O)NCCc1cc(F)cc(F)c1 ZINC000079119869 177437441 /nfs/dbraw/zinc/43/74/41/177437441.db2.gz GKUFRIIHIDOKCR-LLVKDONJSA-N 1 0 284.350 2.389 10 0 CEAERO C[C@H](CC[NH3+])CCC(=O)N(Cc1cccnc1)C1CC1 ZINC000079191231 177441991 /nfs/dbraw/zinc/44/19/91/177441991.db2.gz SUZCJCDICZVWRQ-ZDUSSCGKSA-N 1 0 275.396 2.338 10 0 CEAERO CCC[C@H](CC[NH3+])CCC(=O)N1C[C@H](C)OC[C@@H]1C ZINC000079236614 177452927 /nfs/dbraw/zinc/45/29/27/177452927.db2.gz JIGZDWLDXWUGFI-IHRRRGAJSA-N 1 0 270.417 2.168 10 0 CEAERO CC(C)[C@H](CC[NH3+])CCc1nc(-c2cnccn2)no1 ZINC000079253526 177458428 /nfs/dbraw/zinc/45/84/28/177458428.db2.gz QQARUOSXMVHUPD-NSHDSACASA-N 1 0 275.356 2.080 10 0 CEAERO CC(C)[C@@H](CC[NH3+])CCC(=O)NCC[C@H]1CCCO1 ZINC000079277313 177461423 /nfs/dbraw/zinc/46/14/23/177461423.db2.gz DKSGZEZXXWBGFB-ZIAGYGMSSA-N 1 0 270.417 2.073 10 0 CEAERO Cc1cc2nnc(CC[C@H](CC[NH3+])C(C)(C)C)n2cn1 ZINC000079284971 177463670 /nfs/dbraw/zinc/46/36/70/177463670.db2.gz BJCHYYPNXVSVEN-GFCCVEGCSA-N 1 0 275.400 2.376 10 0 CEAERO CCOC[C@@H](C)NC(=O)CC[C@H](CC[NH3+])C(C)(C)C ZINC000079293009 177465511 /nfs/dbraw/zinc/46/55/11/177465511.db2.gz OLTYATXBXRVCBJ-CHWSQXEVSA-N 1 0 272.433 2.319 10 0 CEAERO CCC[C@H]1CCCN(C(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000079340072 177469545 /nfs/dbraw/zinc/46/95/45/177469545.db2.gz XDFHBJRWTROAEK-DZGCQCFKSA-N 1 0 252.402 2.415 10 0 CEAERO C[C@@]1(C(=O)Nc2cccc3ncccc32)CCC[NH2+]1 ZINC000079510343 177510175 /nfs/dbraw/zinc/51/01/75/177510175.db2.gz WQNYZQOOWMSYPX-HNNXBMFYSA-N 1 0 255.321 2.315 10 0 CEAERO CC(C)C(=O)Nc1ccc(NC(=O)[C@]2(C)CCC[NH2+]2)cc1 ZINC000079513636 177510723 /nfs/dbraw/zinc/51/07/23/177510723.db2.gz KKNCKVSSGFXOTJ-INIZCTEOSA-N 1 0 289.379 2.362 10 0 CEAERO C[C@@H]1CCC[C@H](CCNC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000079521754 177514914 /nfs/dbraw/zinc/51/49/14/177514914.db2.gz VFHIGRVPWGNCFR-NFAWXSAZSA-N 1 0 252.402 2.461 10 0 CEAERO COc1ccc([C@@H](C)NC(=O)[C@]2(C)CCC[NH2+]2)cc1OC ZINC000079545601 177518766 /nfs/dbraw/zinc/51/87/66/177518766.db2.gz CQGBKZIDUNUHNF-BZNIZROVSA-N 1 0 292.379 2.023 10 0 CEAERO COC(OC)[C@@H](C)[NH2+][C@H](C)Cc1c(F)cccc1F ZINC000079641025 177530810 /nfs/dbraw/zinc/53/08/10/177530810.db2.gz LVXILNDYTRAAMS-NXEZZACHSA-N 1 0 273.323 2.493 10 0 CEAERO CC[C@](C[NH3+])(COC)N(C)Cc1ccccc1F ZINC000079714107 177542937 /nfs/dbraw/zinc/54/29/37/177542937.db2.gz WMVJDAOJKQWEBK-AWEZNQCLSA-N 1 0 254.349 2.011 10 0 CEAERO CCC[C@@H](COC)[NH2+]C[C@H](O)c1ccc(OC)cc1 ZINC000079743717 177548825 /nfs/dbraw/zinc/54/88/25/177548825.db2.gz VCMVLFQOKIZNTE-ZFWWWQNUSA-N 1 0 267.369 2.133 10 0 CEAERO CCC[C@H](COC)[NH2+]C[C@@H](O)COC1CCCCC1 ZINC000079743304 177549002 /nfs/dbraw/zinc/54/90/02/177549002.db2.gz WDMOHLLKDKHFQS-ZIAGYGMSSA-N 1 0 273.417 2.101 10 0 CEAERO Cc1ccc(NC(=O)NC2(C(N)=[NH2+])CCCC2)cc1 ZINC000079778000 177556989 /nfs/dbraw/zinc/55/69/89/177556989.db2.gz IWQHMDFRYFJCGA-UHFFFAOYSA-N 1 0 260.341 2.365 10 0 CEAERO CCCN(CC(N)=[NH2+])C(=O)Nc1cccc(F)c1 ZINC000079779049 177557191 /nfs/dbraw/zinc/55/71/91/177557191.db2.gz QFCSDQUWHCXNHC-UHFFFAOYSA-N 1 0 252.293 2.006 10 0 CEAERO C[C@H]1CSCCN1c1nc(C[NH2+]C2CC2)cs1 ZINC000079969863 177590174 /nfs/dbraw/zinc/59/01/74/177590174.db2.gz IIJKCLZECRWDHT-VIFPVBQESA-N 1 0 269.439 2.337 10 0 CEAERO CCOc1ccccc1[C@H]1CC[NH2+][C@@H](C(=O)N(C)C)C1 ZINC000080100154 177607705 /nfs/dbraw/zinc/60/77/05/177607705.db2.gz NGLJFIYLWKRYTP-GXTWGEPZSA-N 1 0 276.380 2.009 10 0 CEAERO COc1ccc(C[C@H](C)N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1OC ZINC000080184010 177619836 /nfs/dbraw/zinc/61/98/36/177619836.db2.gz VSOGXENAEMWUFD-MJBXVCDLSA-N 1 0 292.423 2.317 10 0 CEAERO CC[NH2+]Cc1cccc(NS(=O)(=O)CC(C)C)c1 ZINC000080191654 177622831 /nfs/dbraw/zinc/62/28/31/177622831.db2.gz NCRMHSTXMZYLBV-UHFFFAOYSA-N 1 0 270.398 2.194 10 0 CEAERO Cc1cc(C(C)C)nc(N2CCC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000122220992 419426065 /nfs/dbraw/zinc/42/60/65/419426065.db2.gz HWUCXFAFVWQETQ-CHWSQXEVSA-N 1 0 262.401 2.472 10 0 CEAERO Cc1ccc(C(=O)N(C)C)cc1NC(=O)C[C@H]([NH3+])C(C)C ZINC000136340475 419442793 /nfs/dbraw/zinc/44/27/93/419442793.db2.gz AEXGGXVBUUXXPC-ZDUSSCGKSA-N 1 0 291.395 2.009 10 0 CEAERO Cc1ccc(C(=O)N(C)C)cc1NC(=O)C[C@@H]([NH3+])C(C)C ZINC000136340504 419443362 /nfs/dbraw/zinc/44/33/62/419443362.db2.gz AEXGGXVBUUXXPC-CYBMUJFWSA-N 1 0 291.395 2.009 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)Nc1nc2c(s1)CCCC2 ZINC000136441986 419446863 /nfs/dbraw/zinc/44/68/63/419446863.db2.gz FUORIKRPVWCJAT-SECBINFHSA-N 1 0 267.398 2.334 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)NCc1nc2ccccc2s1 ZINC000136427155 419447047 /nfs/dbraw/zinc/44/70/47/419447047.db2.gz CEDVVGKXQCPQBQ-SNVBAGLBSA-N 1 0 277.393 2.286 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](c2nc(-c3ccc(C)cc3)no2)C1 ZINC000021036083 262374413 /nfs/dbraw/zinc/37/44/13/262374413.db2.gz LBVXHDLARGFDDP-VXGBXAGGSA-N 1 0 259.309 2.094 10 0 CEAERO C[C@@H]([NH3+])CCNC(=O)Nc1cccc(Br)c1 ZINC000398726109 270362556 /nfs/dbraw/zinc/36/25/56/270362556.db2.gz KOJBEDLXWMZWKM-MRVPVSSYSA-N 1 0 286.173 2.308 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)/C=C/c2ccc(O)cc2)C1 ZINC000184157395 270241798 /nfs/dbraw/zinc/24/17/98/270241798.db2.gz CWNPWDNHWXIGRE-DNGMOHDESA-N 1 0 274.364 2.006 10 0 CEAERO CCc1cccc(C[N@@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000189526103 270262429 /nfs/dbraw/zinc/26/24/29/270262429.db2.gz MJRXLVPKCSBABQ-MAUKXSAKSA-N 1 0 288.435 2.402 10 0 CEAERO Cc1c([C@@H](C)[NH2+]C[C@@H](C)N2CCOCC2)cnn1C(C)C ZINC000191145149 270272325 /nfs/dbraw/zinc/27/23/25/270272325.db2.gz LKBRKFKJPJQWSE-ZIAGYGMSSA-N 1 0 294.443 2.144 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccccc2N(C)C)C1 ZINC000194333822 270296582 /nfs/dbraw/zinc/29/65/82/270296582.db2.gz SYQMMOLTVXHRRE-CYBMUJFWSA-N 1 0 290.411 2.358 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc3c(c2)CCO3)C1 ZINC000194336623 270296665 /nfs/dbraw/zinc/29/66/65/270296665.db2.gz NSNQGVISZHINST-AWEZNQCLSA-N 1 0 289.379 2.227 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@@H](O)C2CCC2)c1C ZINC000316292769 270334391 /nfs/dbraw/zinc/33/43/91/270334391.db2.gz ZLVGFNRAAPBEMH-IINYFYTJSA-N 1 0 265.401 2.331 10 0 CEAERO CCc1ccc(CCC(=O)N2CC[C@@H]([NH3+])[C@@H]2C)cc1 ZINC000423646890 270929344 /nfs/dbraw/zinc/92/93/44/270929344.db2.gz QCXXDUPVPTZKAN-SWLSCSKDSA-N 1 0 260.381 2.130 10 0 CEAERO C[C@@H]1CC[NH2+][C@@H](C(=O)N[C@H]2CCc3ccccc32)C1 ZINC000253157955 274308738 /nfs/dbraw/zinc/30/87/38/274308738.db2.gz QMQFIGPDNLDNSU-BYCMXARLSA-N 1 0 258.365 2.178 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@H](O)c1ccc(F)cc1 ZINC000113268129 274374148 /nfs/dbraw/zinc/37/41/48/274374148.db2.gz RQIUDBCFAKXVOL-WQVCFCJDSA-N 1 0 278.371 2.028 10 0 CEAERO C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261857066 274414895 /nfs/dbraw/zinc/41/48/95/274414895.db2.gz WNAZLRDYKZVURN-UIBBOPPKSA-N 1 0 272.392 2.411 10 0 CEAERO Cc1nc(N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1Br ZINC000261549618 274843056 /nfs/dbraw/zinc/84/30/56/274843056.db2.gz KRUUGHSKVLYIOS-UMNHJUIQSA-N 1 0 296.212 2.326 10 0 CEAERO Cc1sc2ncnc(N3CC[C@@H](C[NH3+])C3)c2c1C ZINC000050249489 274879519 /nfs/dbraw/zinc/87/95/19/274879519.db2.gz HTOWLNZIPBLUAX-JTQLQIEISA-N 1 0 262.382 2.093 10 0 CEAERO Clc1cccnc1N1CCC2(C1)CC[NH2+]CC2 ZINC000335300634 274884683 /nfs/dbraw/zinc/88/46/83/274884683.db2.gz RKDGSUHQKKTYDX-UHFFFAOYSA-N 1 0 251.761 2.315 10 0 CEAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1ncn(C)n1 ZINC000090970170 275680444 /nfs/dbraw/zinc/68/04/44/275680444.db2.gz KUZSDEAOTALCGN-FRRDWIJNSA-N 1 0 250.390 2.366 10 0 CEAERO CC(C)[C@H](CO)C[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000348295610 275700552 /nfs/dbraw/zinc/70/05/52/275700552.db2.gz UHIZPQCCVMXWQW-STQMWFEESA-N 1 0 275.396 2.488 10 0 CEAERO CCC[C@H](C(=O)N(C)Cc1ncc(CC)s1)[NH+](C)C ZINC000128767246 276037156 /nfs/dbraw/zinc/03/71/56/276037156.db2.gz MKHJFUQRFPJUEE-GFCCVEGCSA-N 1 0 283.441 2.394 10 0 CEAERO CCC[C@H](C(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)[NH+](C)C ZINC000245769274 276038341 /nfs/dbraw/zinc/03/83/41/276038341.db2.gz KBKGCQSITVSGAS-HZMVEIRTSA-N 1 0 286.419 2.419 10 0 CEAERO CCCc1nsc(N2CC[C@@H](C)C[C@H]2C[NH3+])n1 ZINC000261542875 276057533 /nfs/dbraw/zinc/05/75/33/276057533.db2.gz RCZWNJSFVDXEIH-ZJUUUORDSA-N 1 0 254.403 2.054 10 0 CEAERO CC1=C[C@H](C)C[C@H](C[NH2+][C@H]2CCC(=O)N[C@H]2C)C1 ZINC000352944071 276186165 /nfs/dbraw/zinc/18/61/65/276186165.db2.gz NQEPBXDDMVWEIU-PYJNHQTQSA-N 1 0 250.386 2.236 10 0 CEAERO CCCC[C@H](C(=O)OC)[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248164784 276241681 /nfs/dbraw/zinc/24/16/81/276241681.db2.gz STCMRKQKORCGNP-LZWOXQAQSA-N 1 0 283.412 2.345 10 0 CEAERO CCCc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000061884198 276295688 /nfs/dbraw/zinc/29/56/88/276295688.db2.gz HHTOTOGHAFGZDM-HIFRSBDPSA-N 1 0 296.436 2.045 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(C(C)C)n(C)n1 ZINC000176993739 276377391 /nfs/dbraw/zinc/37/73/91/276377391.db2.gz MELGKHLTWRQVHK-ZDUSSCGKSA-N 1 0 292.427 2.100 10 0 CEAERO CN(C(=O)c1cc2c(s1)CCCCC2)C1C[NH2+]C1 ZINC000090289828 276736914 /nfs/dbraw/zinc/73/69/14/276736914.db2.gz SSFUGIHROXLCKU-UHFFFAOYSA-N 1 0 264.394 2.061 10 0 CEAERO CN1C(=O)C[C@H]([NH3+])[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000062208848 277013695 /nfs/dbraw/zinc/01/36/95/277013695.db2.gz ZTQYNKILRPFDCR-ONGXEEELSA-N 1 0 259.136 2.224 10 0 CEAERO C[NH2+][C@H](C)c1ccc(N2C(=O)c3cccnc3C2=O)cc1 ZINC000037974410 277041651 /nfs/dbraw/zinc/04/16/51/277041651.db2.gz CQTSAYVMUFESKL-SNVBAGLBSA-N 1 0 281.315 2.163 10 0 CEAERO C[N@@H+]1CCC[C@H]1CNC(=O)NC1CCC(C)(C)CC1 ZINC000174353613 277079876 /nfs/dbraw/zinc/07/98/76/277079876.db2.gz PFJDGFZQRGOQFE-ZDUSSCGKSA-N 1 0 267.417 2.349 10 0 CEAERO CC(C)(C)C1CCN(C(=O)[C@H]([NH3+])C2CCOCC2)CC1 ZINC000261895124 277134938 /nfs/dbraw/zinc/13/49/38/277134938.db2.gz VXFQXDZTCNHEEN-CQSZACIVSA-N 1 0 282.428 2.025 10 0 CEAERO CC(C)(C)CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000261971515 277142439 /nfs/dbraw/zinc/14/24/39/277142439.db2.gz QPXZSIZSCQVZNL-MCIONIFRSA-N 1 0 254.418 2.169 10 0 CEAERO CC(C)(C)OC(=O)N1C(Br)=CC=C[C@H]1[NH3+] ZINC000085475911 277178859 /nfs/dbraw/zinc/17/88/59/277178859.db2.gz MPICZRPNFQKVRS-QMMMGPOBSA-N 1 0 275.146 2.314 10 0 CEAERO C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000127259933 277282287 /nfs/dbraw/zinc/28/22/87/277282287.db2.gz KYBYEHYLJJITTH-CWRNSKLLSA-N 1 0 290.407 2.126 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)C1(c2cc(C)cc(C)c2)CC1 ZINC000261664971 277297316 /nfs/dbraw/zinc/29/73/16/277297316.db2.gz GFPAYPWOHKOOPC-CYBMUJFWSA-N 1 0 260.381 2.059 10 0 CEAERO CC(C)CCO[C@H](C)C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262098529 277358317 /nfs/dbraw/zinc/35/83/17/277358317.db2.gz UVZYJBGWBOVZMG-OLZOCXBDSA-N 1 0 270.417 2.023 10 0 CEAERO COc1ccc(-c2cn3c(n2)C(C)(C)[NH2+]CC3)cc1 ZINC000084608532 277396707 /nfs/dbraw/zinc/39/67/07/277396707.db2.gz QGWISNUVFLCONR-UHFFFAOYSA-N 1 0 257.337 2.397 10 0 CEAERO CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1COc2ccccc21 ZINC000158192149 277566825 /nfs/dbraw/zinc/56/68/25/277566825.db2.gz GYRPRMZYSSMHPG-AWEZNQCLSA-N 1 0 291.395 2.102 10 0 CEAERO CC(C)[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000227804702 277780421 /nfs/dbraw/zinc/78/04/21/277780421.db2.gz JMOCPFFKAYOXQS-HZSPNIEDSA-N 1 0 252.402 2.399 10 0 CEAERO CSc1ccccc1C(=O)N[C@H]1CCCC[C@@H]1[NH3+] ZINC000092231799 278176347 /nfs/dbraw/zinc/17/63/47/278176347.db2.gz IPXGDAKUEKRKIA-RYUDHWBXSA-N 1 0 264.394 2.408 10 0 CEAERO C[C@@H](C(=O)NC1(Cc2ccccc2)CCC1)C1C[NH2+]C1 ZINC000262577846 278204447 /nfs/dbraw/zinc/20/44/47/278204447.db2.gz TZDRMHYTVOEPQN-CYBMUJFWSA-N 1 0 272.392 2.124 10 0 CEAERO C[C@H](c1c(F)cccc1F)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000247558833 278304763 /nfs/dbraw/zinc/30/47/63/278304763.db2.gz FTPPGVAFNLFNEJ-RWMBFGLXSA-N 1 0 298.377 2.413 10 0 CEAERO C[C@H]1CC(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)C[C@H](C)C1 ZINC000248534458 278323014 /nfs/dbraw/zinc/32/30/14/278323014.db2.gz GDOGMKXRYRKUOZ-NFAWXSAZSA-N 1 0 264.413 2.365 10 0 CEAERO CC(C)(C)OC(=O)N(C[C@H]1CCCO1)C1CC[NH2+]CC1 ZINC000058040525 278377785 /nfs/dbraw/zinc/37/77/85/278377785.db2.gz OPBQFEKVHILSDN-CYBMUJFWSA-N 1 0 284.400 2.155 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@@]2(CC[C@@H](C[NH3+])C2)C1 ZINC000095084642 278409615 /nfs/dbraw/zinc/40/96/15/278409615.db2.gz CJMRYBSIKXAGFU-BXUZGUMPSA-N 1 0 254.374 2.372 10 0 CEAERO CCC(C)(C)NC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000163661242 278577044 /nfs/dbraw/zinc/57/70/44/278577044.db2.gz HBLGOPVJOZVIBH-GFCCVEGCSA-N 1 0 257.422 2.451 10 0 CEAERO C[C@@H]1CN(c2ncccc2Br)CC[C@H]1[NH3+] ZINC000251671037 278816294 /nfs/dbraw/zinc/81/62/94/278816294.db2.gz HJIIQLKKKGZDPC-PSASIEDQSA-N 1 0 270.174 2.018 10 0 CEAERO Cc1ccc(S(=O)(=O)c2cn(-c3cc[nH+]cc3)cn2)cc1 ZINC000022000790 278840903 /nfs/dbraw/zinc/84/09/03/278840903.db2.gz HDSPZYQTPAUMDB-UHFFFAOYSA-N 1 0 299.355 2.409 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+]C2CCCCCC2)C1 ZINC000263527753 279059396 /nfs/dbraw/zinc/05/93/96/279059396.db2.gz UUYBUBZSTROBDU-UHFFFAOYSA-N 1 0 268.401 2.236 10 0 CEAERO Cc1nc2ccccc2nc1N1C[C@H](C[NH3+])C[C@@H]1C ZINC000216228138 279131121 /nfs/dbraw/zinc/13/11/21/279131121.db2.gz KDRDNYSPZYSHME-JQWIXIFHSA-N 1 0 256.353 2.112 10 0 CEAERO C[C@H](C(=O)NC[C@H]1CCCC[C@@H]1C(F)(F)F)C1C[NH2+]C1 ZINC000262484188 279225814 /nfs/dbraw/zinc/22/58/14/279225814.db2.gz ZYJZJNDAHHTBPM-UMNHJUIQSA-N 1 0 292.345 2.327 10 0 CEAERO C[C@H]([NH2+]CCC(=O)Nc1ccc(F)cc1)[C@H]1CCCO1 ZINC000183231605 279465191 /nfs/dbraw/zinc/46/51/91/279465191.db2.gz IZBRZWAYMPGRSR-SMDDNHRTSA-N 1 0 280.343 2.311 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(F)c(F)c1 ZINC000105872286 279522233 /nfs/dbraw/zinc/52/22/33/279522233.db2.gz WDKFSRRCCVLDSE-GXSJLCMTSA-N 1 0 278.306 2.222 10 0 CEAERO C[C@H]1CCN(C(=O)c2ccc3ccccc3n2)[C@@H](C[NH3+])C1 ZINC000235709094 279711195 /nfs/dbraw/zinc/71/11/95/279711195.db2.gz XWNIONAJMOGIMB-GXTWGEPZSA-N 1 0 283.375 2.434 10 0 CEAERO C[C@H]1CN(C(=O)[C@@H]([NH3+])CC2CCCCC2)CCS1 ZINC000261577430 279804944 /nfs/dbraw/zinc/80/49/44/279804944.db2.gz OISPQALFYFUJBN-AAEUAGOBSA-N 1 0 270.442 2.248 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2CO)C1(C)C ZINC000300413536 279880909 /nfs/dbraw/zinc/88/09/09/279880909.db2.gz AKJLSJVMSJSRFG-ZOBORPQBSA-N 1 0 255.402 2.331 10 0 CEAERO C[C@H](C[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1)c1ccccc1 ZINC000177236762 280102829 /nfs/dbraw/zinc/10/28/29/280102829.db2.gz INOGQPFDXPUGHB-NUJGCVRESA-N 1 0 288.435 2.443 10 0 CEAERO C[C@H]([NH2+]CC(=O)NC(N)=O)c1ccc(-c2ccccc2)cc1 ZINC000195345012 280202273 /nfs/dbraw/zinc/20/22/73/280202273.db2.gz WAKZEOFRQXKFIV-LBPRGKRZSA-N 1 0 297.358 2.199 10 0 CEAERO CCCN(CCC)C(=O)CN1C[C@@H]2CCC[N@@H+]2C[C@H]1CC ZINC000245414113 280238288 /nfs/dbraw/zinc/23/82/88/280238288.db2.gz CBVIYTHDKCMCDA-CVEARBPZSA-N 1 0 295.471 2.194 10 0 CEAERO CCO[C@H](CCNC(=O)N[C@H]1CCC[N@H+](CC)C1)C(C)C ZINC000245431610 280239948 /nfs/dbraw/zinc/23/99/48/280239948.db2.gz OCZOOIMNLGNPKV-LSDHHAIUSA-N 1 0 299.459 2.221 10 0 CEAERO CCC[C@@H](C(=O)OCC)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000245458192 280241656 /nfs/dbraw/zinc/24/16/56/280241656.db2.gz CPEGBDNYIAXNTC-KGLIPLIRSA-N 1 0 270.417 2.134 10 0 CEAERO C[C@H](NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)[C@H]1CCCO1 ZINC000245583556 280251675 /nfs/dbraw/zinc/25/16/75/280251675.db2.gz AAJNRJATFDGTSV-RRFJBIMHSA-N 1 0 297.443 2.070 10 0 CEAERO CCCC1(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000245761173 280260072 /nfs/dbraw/zinc/26/00/72/280260072.db2.gz HGFXLEDTBUBRBM-ZIAGYGMSSA-N 1 0 279.428 2.445 10 0 CEAERO CCc1cnccc1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000245845742 280262059 /nfs/dbraw/zinc/26/20/59/280262059.db2.gz FLVDLSBGPKELNJ-DOMZBBRYSA-N 1 0 275.396 2.103 10 0 CEAERO C[C@@H]1CCC[C@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000245992593 280269297 /nfs/dbraw/zinc/26/92/97/280269297.db2.gz AARAHJQYKIFCQD-HZSPNIEDSA-N 1 0 267.417 2.158 10 0 CEAERO Cc1c2ccccc2[nH]c(=O)c1C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000157685086 280270305 /nfs/dbraw/zinc/27/03/05/280270305.db2.gz DYLLDGUBSLHDKI-WCQYABFASA-N 1 0 299.374 2.106 10 0 CEAERO COCCC1(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)CCCC1 ZINC000246045304 280270758 /nfs/dbraw/zinc/27/07/58/280270758.db2.gz SPRGUODNCDDQOP-HUUCEWRRSA-N 1 0 296.455 2.428 10 0 CEAERO Cc1c2ccccc2[nH]c(=O)c1C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000157684948 280270976 /nfs/dbraw/zinc/27/09/76/280270976.db2.gz DYLLDGUBSLHDKI-YPMHNXCESA-N 1 0 299.374 2.106 10 0 CEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)C(C)C)[C@H](C)C1 ZINC000246577395 280302097 /nfs/dbraw/zinc/30/20/97/280302097.db2.gz ZEJFCCAVHBJMJQ-MCIONIFRSA-N 1 0 269.433 2.403 10 0 CEAERO Clc1ccccc1OCCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000246764619 280309298 /nfs/dbraw/zinc/30/92/98/280309298.db2.gz YIJMKNYLTKJPTE-ZDUSSCGKSA-N 1 0 280.799 2.499 10 0 CEAERO Cc1cc(Br)cn2c3c(nc12)CC[NH2+]C3 ZINC000082693391 280311101 /nfs/dbraw/zinc/31/11/01/280311101.db2.gz ORPYWYDTEJIFQY-UHFFFAOYSA-N 1 0 266.142 2.051 10 0 CEAERO CC[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H](C)C2)CC[N@@H+]1C[C@@H](C)O ZINC000246973090 280316006 /nfs/dbraw/zinc/31/60/06/280316006.db2.gz UBPRQXYDXZHJPN-KLHDSHLOSA-N 1 0 296.455 2.116 10 0 CEAERO CCOCC[N@@H+]1CCN(C(=O)[C@H](C)C(C)C)C[C@@H]1CC ZINC000246972194 280316067 /nfs/dbraw/zinc/31/60/67/280316067.db2.gz KJWCPYHPYMJDLL-CABCVRRESA-N 1 0 284.444 2.238 10 0 CEAERO CCC(CC)CC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000247793695 280340659 /nfs/dbraw/zinc/34/06/59/280340659.db2.gz ZJVFDZDLUCTRKC-DZGCQCFKSA-N 1 0 284.444 2.116 10 0 CEAERO CCCCOC[C@H](O)C[N@H+](C)C[C@H](C)c1nccs1 ZINC000248652697 280357343 /nfs/dbraw/zinc/35/73/43/280357343.db2.gz OAMBNHUFJYJJMD-QWHCGFSZSA-N 1 0 286.441 2.356 10 0 CEAERO CC(C)OC1CC([NH2+][C@@H]2CN(C(C)C)C[C@@H]2C)C1 ZINC000248650010 280357441 /nfs/dbraw/zinc/35/74/41/280357441.db2.gz WDNZEILQFJZZHW-VXGQWTEUSA-N 1 0 254.418 2.261 10 0 CEAERO CC[C@@H]1CN(C(=O)[C@H]2C[C@@]2(C)C(C)C)CC[N@@H+]1CCOC ZINC000248481108 280378808 /nfs/dbraw/zinc/37/88/08/280378808.db2.gz RXDGOEXRZHLNBB-INMHGKMJSA-N 1 0 296.455 2.238 10 0 CEAERO O=C(N[C@H](c1cccc(C(F)(F)F)c1)C1CC1)C1C[NH2+]C1 ZINC000262195899 280533792 /nfs/dbraw/zinc/53/37/92/280533792.db2.gz GSARIURTIONJSE-ZDUSSCGKSA-N 1 0 298.308 2.492 10 0 CEAERO C[C@@H]1CN2CCCC[C@H]2C[N@@H+]1CCOC(C)(C)C ZINC000376514341 288298458 /nfs/dbraw/zinc/29/84/58/288298458.db2.gz YBHMTLPJLLMOQG-KGLIPLIRSA-N 1 0 254.418 2.360 10 0 CEAERO Cc1ccc2oc(C(=O)N3CC[C@@H]([NH3+])[C@H]3C)cc2c1 ZINC000261602083 281177764 /nfs/dbraw/zinc/17/77/64/281177764.db2.gz QHKFDFLJJRFZKK-ZYHUDNBSSA-N 1 0 258.321 2.303 10 0 CEAERO Cc1cccc(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)c1Cl ZINC000261563013 281191087 /nfs/dbraw/zinc/19/10/87/281191087.db2.gz WVMZCMUNJYZRLI-GXSJLCMTSA-N 1 0 252.745 2.210 10 0 CEAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C1CCCC1)CC2 ZINC000180616738 281526830 /nfs/dbraw/zinc/52/68/30/281526830.db2.gz NYHIASSDVRCHLY-AAEUAGOBSA-N 1 0 262.401 2.324 10 0 CEAERO CC[C@@](C)(O)C[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC000444577110 281614010 /nfs/dbraw/zinc/61/40/10/281614010.db2.gz XAJHJWVNEMEZEH-OAHLLOKOSA-N 1 0 271.401 2.201 10 0 CEAERO Cc1csc2c1ncnc2N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261662977 281745985 /nfs/dbraw/zinc/74/59/85/281745985.db2.gz ZHPWKKKJFBEQGC-WDEREUQCSA-N 1 0 274.393 2.188 10 0 CEAERO Cc1nc2c(c(N3C[C@H](C)[C@H]([NH+](C)C)C3)n1)CCCC2 ZINC000272808185 282012224 /nfs/dbraw/zinc/01/22/24/282012224.db2.gz CAHFMDRHHYSJAV-XHDPSFHLSA-N 1 0 274.412 2.050 10 0 CEAERO CC[C@@H](OC1CCCCC1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000154437563 289145125 /nfs/dbraw/zinc/14/51/25/289145125.db2.gz SPIMFFYHARKPGI-DZGCQCFKSA-N 1 0 282.428 2.277 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CCOc1cccc(OC)c1 ZINC000154817902 289155360 /nfs/dbraw/zinc/15/53/60/289155360.db2.gz IXMXIIFRUSMITI-OAHLLOKOSA-N 1 0 292.423 2.490 10 0 CEAERO [NH3+]CCCn1cc(-c2ccc(OC3CC3)cc2)cn1 ZINC000311570100 289279728 /nfs/dbraw/zinc/27/97/28/289279728.db2.gz ZZFXRXDPAMPKRP-UHFFFAOYSA-N 1 0 257.337 2.440 10 0 CEAERO C[C@H]1CCN(C(=O)c2ccc(F)cc2F)[C@@H](C[NH3+])C1 ZINC000235655728 290563740 /nfs/dbraw/zinc/56/37/40/290563740.db2.gz PQWCGTJLIVIYLT-GXSJLCMTSA-N 1 0 268.307 2.164 10 0 CEAERO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1C[C@H](O)COC(C)(C)C ZINC000091080542 293121527 /nfs/dbraw/zinc/12/15/27/293121527.db2.gz ZRWOVEYSSDXVGG-UONOGXRCSA-N 1 0 295.427 2.339 10 0 CEAERO Cc1nc(N2CCCC[C@H]2C[NH3+])ccc1Br ZINC000235984041 293294641 /nfs/dbraw/zinc/29/46/41/293294641.db2.gz RGRQVGCXGGYMOH-JTQLQIEISA-N 1 0 284.201 2.470 10 0 CEAERO Cc1sc2ncnc(N3CCC[C@H](C[NH3+])C3)c2c1C ZINC000044531613 294088850 /nfs/dbraw/zinc/08/88/50/294088850.db2.gz PALGUDYZERRGII-LLVKDONJSA-N 1 0 276.409 2.483 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000261635128 295272331 /nfs/dbraw/zinc/27/23/31/295272331.db2.gz CAJAAUKAPJMZNR-NJBDSQKTSA-N 1 0 294.345 2.312 10 0 CEAERO [NH3+][C@@H]1CC[C@H](C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000228212534 295322170 /nfs/dbraw/zinc/32/21/70/295322170.db2.gz GELWKKSABLSMBZ-UKKRHICBSA-N 1 0 278.318 2.351 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)c1ccc(Br)cc1 ZINC000034284173 295333692 /nfs/dbraw/zinc/33/36/92/295333692.db2.gz FDTVTLRRTCOLPL-RYUDHWBXSA-N 1 0 297.196 2.449 10 0 CEAERO [NH3+][C@H]1CC[C@@H](C(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000097092080 295340864 /nfs/dbraw/zinc/34/08/64/295340864.db2.gz HXBAAOOCUCQFGK-NJGYJLRPSA-N 1 0 262.397 2.199 10 0 CEAERO CCC[C@@H](C(=O)N[C@H](C)c1nc(C(C)(C)C)no1)[NH+](C)C ZINC000162353903 297451783 /nfs/dbraw/zinc/45/17/83/297451783.db2.gz YRVKFZDSXJKIAT-MNOVXSKESA-N 1 0 296.415 2.275 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(Cc3cccnc3C(F)(F)F)C[C@@H]12 ZINC000530219775 298055071 /nfs/dbraw/zinc/05/50/71/298055071.db2.gz QOPXXDVUHTVEJX-YUSALJHKSA-N 1 0 285.313 2.270 10 0 CEAERO C[C@H]([NH3+])[C@@](O)(c1cc(F)cc(F)c1)C(F)(F)F ZINC000062784277 524846296 /nfs/dbraw/zinc/84/62/96/524846296.db2.gz DHYLKIXTXIXYLN-SSDLBLMSSA-N 1 0 255.186 2.062 10 0 CEAERO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCCC[C@H]1c1nccs1 ZINC000563077747 298733841 /nfs/dbraw/zinc/73/38/41/298733841.db2.gz PKBNLPADJHDVFU-TUAOUCFPSA-N 1 0 279.409 2.195 10 0 CEAERO C[C@H]1CC[NH2+]C[C@@H]1N=c1[nH]oc2ccc(Cl)cc21 ZINC000333873629 299999408 /nfs/dbraw/zinc/99/94/08/299999408.db2.gz CEEHZLDMMVZLPG-KWQFWETISA-N 1 0 265.744 2.313 10 0 CEAERO C[C@]1(C[NH3+])CCN(C(=O)[C@H]2C[C@H]2C2CCCCC2)C1 ZINC000261750576 300794822 /nfs/dbraw/zinc/79/48/22/300794822.db2.gz DUMYTIRBXZQAJG-OFQRWUPVSA-N 1 0 264.413 2.400 10 0 CEAERO CC1CC(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)C1 ZINC000575915458 314224557 /nfs/dbraw/zinc/22/45/57/314224557.db2.gz WPHPJEVPLBEQCR-PESDSKBTSA-N 1 0 258.365 2.206 10 0 CEAERO CC1CC(C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)C1 ZINC000576635324 314295604 /nfs/dbraw/zinc/29/56/04/314295604.db2.gz RUMQLPPYWVFVIT-GDVJOBBMSA-N 1 0 272.392 2.233 10 0 CEAERO c1cnc2c(c1)nccc2N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000379168967 321824959 /nfs/dbraw/zinc/82/49/59/321824959.db2.gz NMLNPAMZAZNQHU-BETUJISGSA-N 1 0 268.364 2.066 10 0 CEAERO Cc1csc2c1ncnc2N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000382526786 321840808 /nfs/dbraw/zinc/84/08/08/321840808.db2.gz VHQUTDTWMOOCHV-QMTHXVAHSA-N 1 0 276.409 2.421 10 0 CEAERO Cc1nnsc1CN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000384242515 321851177 /nfs/dbraw/zinc/85/11/77/321851177.db2.gz JMQPDKHDKQWLTG-JQWIXIFHSA-N 1 0 268.430 2.247 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCCOC1CCCCC1 ZINC000384282469 321851438 /nfs/dbraw/zinc/85/14/38/321851438.db2.gz UUSJKVCQMDVDMO-DZGCQCFKSA-N 1 0 282.428 2.230 10 0 CEAERO [NH3+]C1(c2noc(-c3cnccc3C(F)(F)F)n2)CCC1 ZINC000583032357 322520328 /nfs/dbraw/zinc/52/03/28/322520328.db2.gz MGOXQWVMEIPQEV-UHFFFAOYSA-N 1 0 284.241 2.488 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]2CN(c3ccnc4cccnc43)C[C@H]21 ZINC000393585464 329087548 /nfs/dbraw/zinc/08/75/48/329087548.db2.gz JMNDJSPATXPXAK-YNEHKIRRSA-N 1 0 268.364 2.193 10 0 CEAERO CC1(C)COc2ccc(-c3cnn(CC[NH3+])c3)cc21 ZINC000394035109 329095419 /nfs/dbraw/zinc/09/54/19/329095419.db2.gz LJIPEYLTOOXFRE-UHFFFAOYSA-N 1 0 257.337 2.179 10 0 CEAERO C[C@@H]1C[C@H](C)CN([C@H]2C[NH2+]C[C@@H](C(=O)OC(C)(C)C)C2)C1 ZINC000536960139 330384100 /nfs/dbraw/zinc/38/41/00/330384100.db2.gz PEDYCBZCIPOYTJ-LJISPDSOSA-N 1 0 296.455 2.284 10 0 CEAERO CC(C)[N@H+](C)CCCCNc1ccnc(C(N)=S)c1 ZINC000061813245 519616726 /nfs/dbraw/zinc/61/67/26/519616726.db2.gz HBWRCHYAWGPJGQ-UHFFFAOYSA-N 1 0 280.441 2.248 10 0 CEAERO CC(C)CC[NH2+]CCn1c(=O)cnc2ccccc21 ZINC000053523568 519662704 /nfs/dbraw/zinc/66/27/04/519662704.db2.gz CLYYMBDXZJYSGD-UHFFFAOYSA-N 1 0 259.353 2.032 10 0 CEAERO CC[NH2+]Cc1ccc(N2CCC[C@H](C(F)(F)F)C2)nn1 ZINC000088437293 535477768 /nfs/dbraw/zinc/47/77/68/535477768.db2.gz LTGAGZQDZJQWCD-JTQLQIEISA-N 1 0 288.317 2.365 10 0 CEAERO CC(C)[NH2+]CCCSc1nnc2ccccn21 ZINC000061407596 519720987 /nfs/dbraw/zinc/72/09/87/519720987.db2.gz SYGRWTLNAHWUDM-UHFFFAOYSA-N 1 0 250.371 2.210 10 0 CEAERO CC(C)[NH2+][C@@H](CCOc1cccc(C(C)C)c1)C(N)=O ZINC000062548076 519734670 /nfs/dbraw/zinc/73/46/70/519734670.db2.gz NRINTQVHFBLFRM-HNNXBMFYSA-N 1 0 278.396 2.431 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000061278702 519904738 /nfs/dbraw/zinc/90/47/38/519904738.db2.gz UBVATXWOQGHBAW-UHFFFAOYSA-N 1 0 264.413 2.460 10 0 CEAERO CCC[NH2+]CCCSc1nnc2ccccn21 ZINC000061407615 519913326 /nfs/dbraw/zinc/91/33/26/519913326.db2.gz ISGWVHKJJFPLFY-UHFFFAOYSA-N 1 0 250.371 2.211 10 0 CEAERO CCC[NH2+]CCO[C@@H](C)C(=O)Nc1ccccc1 ZINC000051844634 519918685 /nfs/dbraw/zinc/91/86/85/519918685.db2.gz FCGCGYVCUGOENM-LBPRGKRZSA-N 1 0 250.342 2.030 10 0 CEAERO CCC[NH2+]C[C@@]1(CCS(C)(=O)=O)C[C@H]2CC[C@@H]1C2 ZINC000054639027 519928555 /nfs/dbraw/zinc/92/85/55/519928555.db2.gz PLKXXIQRYDEURA-BFHYXJOUSA-N 1 0 273.442 2.227 10 0 CEAERO CCC[NH2+]C[C@H]1CC[C@H](COC[C@@H]2CCCCO2)O1 ZINC000052605227 519940029 /nfs/dbraw/zinc/94/00/29/519940029.db2.gz TXGXKHVUSVLIPI-QLFBSQMISA-N 1 0 271.401 2.119 10 0 CEAERO CC[NH2+]C[C@@](C)(O)c1ccc(F)c(Br)c1 ZINC000061689967 519958142 /nfs/dbraw/zinc/95/81/42/519958142.db2.gz JIVAEVPQKYDHOH-LLVKDONJSA-N 1 0 276.149 2.405 10 0 CEAERO CC[NH2+]Cc1c(C)nn([C@@H]2CCCC[C@@H]2O)c1C ZINC000054599981 519984470 /nfs/dbraw/zinc/98/44/70/519984470.db2.gz BQPHHUWEWZGBRY-KGLIPLIRSA-N 1 0 251.374 2.085 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccc(NC(=O)COC)cc1 ZINC000048631579 519988652 /nfs/dbraw/zinc/98/86/52/519988652.db2.gz FRSDAJHBZSMMFJ-NSHDSACASA-N 1 0 250.342 2.332 10 0 CEAERO CCCN[C@@H](CC[N@H+](CCC)CC1CC1)C(=O)OCC ZINC000062459981 519998694 /nfs/dbraw/zinc/99/86/94/519998694.db2.gz IISACGNGCDXHDD-HNNXBMFYSA-N 1 0 284.444 2.430 10 0 CEAERO CC[NH2+]Cc1ccc(OC[C@H](C)O)c(Br)c1 ZINC000062701147 520000200 /nfs/dbraw/zinc/00/02/00/520000200.db2.gz UOCCTOPKAKDWDZ-VIFPVBQESA-N 1 0 288.185 2.318 10 0 CEAERO CC[NH2+]Cc1sc(N(CC)[C@H](C)COC)nc1C ZINC000054998674 520032322 /nfs/dbraw/zinc/03/23/22/520032322.db2.gz HVXJDXOQUNOXPP-SNVBAGLBSA-N 1 0 271.430 2.422 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1ccc(F)cc1OC ZINC000061274228 520069779 /nfs/dbraw/zinc/06/97/79/520069779.db2.gz ANFUAQZDTUXLLY-VIFPVBQESA-N 1 0 254.305 2.161 10 0 CEAERO CC[NH2+][C@@H](CCOc1cc(C)ccc1C(C)C)C(N)=O ZINC000062548754 520090725 /nfs/dbraw/zinc/09/07/25/520090725.db2.gz RLQPDPQRFPPPEQ-AWEZNQCLSA-N 1 0 278.396 2.351 10 0 CEAERO CC[NH2+][C@H](C)c1cnn(CCOCC(F)(F)F)c1 ZINC000054721361 520180595 /nfs/dbraw/zinc/18/05/95/520180595.db2.gz PHSLXJNFWRHIEP-SECBINFHSA-N 1 0 265.279 2.133 10 0 CEAERO CC[NH2+][C@](C)(CCCOc1ccc(CC)cc1)C(N)=O ZINC000045513535 520229984 /nfs/dbraw/zinc/22/99/84/520229984.db2.gz NXRHEHLMLQHJLR-MRXNPFEDSA-N 1 0 278.396 2.262 10 0 CEAERO CCN[C@](C)(C[C@H](C)[N@H+](C)CC1CCCC1)C(=O)OC ZINC000068647009 520238566 /nfs/dbraw/zinc/23/85/66/520238566.db2.gz SVVYLYNBGYLDNV-XJKSGUPXSA-N 1 0 284.444 2.428 10 0 CEAERO CCN(CC(F)(F)F)c1nc(C)c(C[NH3+])s1 ZINC000054998503 520423407 /nfs/dbraw/zinc/42/34/07/520423407.db2.gz XPYRGAFJSTVPEE-UHFFFAOYSA-N 1 0 253.293 2.299 10 0 CEAERO CCCC[N@H+](CC)Cc1cccnc1C(N)=S ZINC000061659649 520478156 /nfs/dbraw/zinc/47/81/56/520478156.db2.gz NSRPTTCSXJCCIR-UHFFFAOYSA-N 1 0 251.399 2.338 10 0 CEAERO CC1(C)CN(c2nc(C3CC3)c(C[NH3+])s2)CCO1 ZINC000069179929 520494441 /nfs/dbraw/zinc/49/44/41/520494441.db2.gz WRPXHHJFIZKQSR-UHFFFAOYSA-N 1 0 267.398 2.094 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1cccc(-n2cccn2)c1 ZINC000136321116 500622848 /nfs/dbraw/zinc/62/28/48/500622848.db2.gz JJVFCUKNCGFYHL-AWEZNQCLSA-N 1 0 272.352 2.184 10 0 CEAERO CCN(CCOC)Cc1csc(C[NH2+]C(C)C)n1 ZINC000052542584 521136794 /nfs/dbraw/zinc/13/67/94/521136794.db2.gz NLLFRIYWIJGQHU-UHFFFAOYSA-N 1 0 271.430 2.109 10 0 CEAERO CCCC[C@H](C)NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000050889064 521145635 /nfs/dbraw/zinc/14/56/35/521145635.db2.gz WJAUQDCCYBHXHY-SWLSCSKDSA-N 1 0 260.381 2.396 10 0 CEAERO CCOC(=O)[C@](C)(C[C@H](C)[N@H+](C)CC1CC1)NC(C)C ZINC000068627730 521324060 /nfs/dbraw/zinc/32/40/60/521324060.db2.gz MBANTJAGDYKAAP-BBRMVZONSA-N 1 0 284.444 2.427 10 0 CEAERO CCS(=O)(=O)CC[C@@H](C[NH2+]C(C)C)CC(C)C ZINC000052968364 521644744 /nfs/dbraw/zinc/64/47/44/521644744.db2.gz CNBPZEDKJOHGFX-CYBMUJFWSA-N 1 0 263.447 2.472 10 0 CEAERO C[NH+](C)C[C@@H]1CCCN1Cc1ccc(Cl)cc1N ZINC000061641903 521841695 /nfs/dbraw/zinc/84/16/95/521841695.db2.gz GHVMETRQRNTIID-ZDUSSCGKSA-N 1 0 267.804 2.448 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000061317174 521932995 /nfs/dbraw/zinc/93/29/95/521932995.db2.gz ZUZYFFAOCCCCIU-UHFFFAOYSA-N 1 0 264.344 2.315 10 0 CEAERO CC[C@@H](C)C[NH2+]Cc1sc(N(C)C)nc1OC ZINC000054468119 521996018 /nfs/dbraw/zinc/99/60/18/521996018.db2.gz FRNHZVDPSNMTNV-SECBINFHSA-N 1 0 257.403 2.353 10 0 CEAERO C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CC=CCC1 ZINC000070191839 522015399 /nfs/dbraw/zinc/01/53/99/522015399.db2.gz KIBHURUNCLNEDA-KGLIPLIRSA-N 1 0 250.386 2.333 10 0 CEAERO C[NH2+]C[C@@H](OCCOC)c1ccc(Br)cc1 ZINC000050495579 522035443 /nfs/dbraw/zinc/03/54/43/522035443.db2.gz GTVOZDAZXSQFLJ-GFCCVEGCSA-N 1 0 288.185 2.373 10 0 CEAERO CC[C@@H](C)N(CCOC)c1nc(C)c(C[NH2+]C)s1 ZINC000055001142 522095820 /nfs/dbraw/zinc/09/58/20/522095820.db2.gz GBRMIEQHHOUJAV-SNVBAGLBSA-N 1 0 271.430 2.422 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(Cc2ccnc(NC)c2)CC1 ZINC000055071262 522125368 /nfs/dbraw/zinc/12/53/68/522125368.db2.gz ULEZFSUXXUFZGZ-CYBMUJFWSA-N 1 0 262.401 2.039 10 0 CEAERO C[NH2+]Cc1nnc(-c2ccc(Cl)cc2OC)o1 ZINC000050615458 522154012 /nfs/dbraw/zinc/15/40/12/522154012.db2.gz LCLYAILJUOXDFV-UHFFFAOYSA-N 1 0 253.689 2.118 10 0 CEAERO CC[C@@H](C)Oc1cc2c(cc1C[NH2+]CCOC)OCO2 ZINC000062733985 522260165 /nfs/dbraw/zinc/26/01/65/522260165.db2.gz SGMOKTSTSPSGJC-LLVKDONJSA-N 1 0 281.352 2.329 10 0 CEAERO C[NH2+][C@H](C)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000052395840 522437242 /nfs/dbraw/zinc/43/72/42/522437242.db2.gz UVVHLXZQUQXDDK-VXGBXAGGSA-N 1 0 260.381 2.351 10 0 CEAERO CCCN1C(=[NH2+])NC[C@@]1(C)c1ccc(F)cc1F ZINC000093373503 517583810 /nfs/dbraw/zinc/58/38/10/517583810.db2.gz FDYXKJPLZQTWCF-ZDUSSCGKSA-N 1 0 253.296 2.220 10 0 CEAERO CCc1csc(N2CCC(OCCC[NH3+])CC2)n1 ZINC000094073369 517860539 /nfs/dbraw/zinc/86/05/39/517860539.db2.gz FVSDWZFBMUQHTE-UHFFFAOYSA-N 1 0 269.414 2.040 10 0 CEAERO C[NH+](C)CCCNC(=O)Cc1ccc(OC(C)(C)C)cc1 ZINC000041499729 517902551 /nfs/dbraw/zinc/90/25/51/517902551.db2.gz SJPFFCPZGWFOBX-UHFFFAOYSA-N 1 0 292.423 2.474 10 0 CEAERO C(COC[C@@H]1CCCCO1)[NH2+]C(C1CC1)C1CC1 ZINC000053555445 518394087 /nfs/dbraw/zinc/39/40/87/518394087.db2.gz LVOLFJRHLUVAMX-AWEZNQCLSA-N 1 0 253.386 2.350 10 0 CEAERO CC(C)(C)[NH2+]Cc1nccn1CCOCC(F)(F)F ZINC000051015261 518768029 /nfs/dbraw/zinc/76/80/29/518768029.db2.gz OBIYTECPMYIGQB-UHFFFAOYSA-N 1 0 279.306 2.350 10 0 CEAERO CC(C)(C)c1csc(NC(=O)c2ccc(NN)[nH+]c2)n1 ZINC000051095097 519087242 /nfs/dbraw/zinc/08/72/42/519087242.db2.gz RNESCICFALIGMC-UHFFFAOYSA-N 1 0 291.380 2.374 10 0 CEAERO CC(C)(C[NH2+]C(C)(C)C)CN1CCn2ccnc2C1 ZINC000062322266 519266457 /nfs/dbraw/zinc/26/64/57/519266457.db2.gz AXIQNEZFKJIOIL-UHFFFAOYSA-N 1 0 264.417 2.113 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)Nc1cccc(N)c1 ZINC000049560546 519337507 /nfs/dbraw/zinc/33/75/07/519337507.db2.gz ITMMHDLDLKOTNT-CQSZACIVSA-N 1 0 278.400 2.367 10 0 CEAERO CC(C)CCC[NH2+]CCN1CCN(c2nccs2)CC1 ZINC000053345450 519641175 /nfs/dbraw/zinc/64/11/75/519641175.db2.gz QRVLGVHWFJTTGR-UHFFFAOYSA-N 1 0 296.484 2.291 10 0 CEAERO CC(C)[N@H+](CCO)[C@@H](CC(N)=S)c1ccccc1 ZINC000055025285 519649446 /nfs/dbraw/zinc/64/94/46/519649446.db2.gz VFKBHVUOIYTFJF-ZDUSSCGKSA-N 1 0 266.410 2.107 10 0 CEAERO CC(C)CCOCCN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000050033895 519665488 /nfs/dbraw/zinc/66/54/88/519665488.db2.gz APFYPGAAWJKJGF-OAHLLOKOSA-N 1 0 254.418 2.219 10 0 CEAERO CC(C)NC(=O)[C@@H](C)Oc1cc(F)ccc1[C@H](C)[NH3+] ZINC000062745718 519714114 /nfs/dbraw/zinc/71/41/14/519714114.db2.gz KWDFLFOCEJVBPK-VHSXEESVSA-N 1 0 268.332 2.137 10 0 CEAERO CC(C)[NH2+]C[C@@H](C(C)C)N1CCN(c2nccs2)CC1 ZINC000052417596 519722880 /nfs/dbraw/zinc/72/28/80/519722880.db2.gz DHONFCVPLXEFOF-AWEZNQCLSA-N 1 0 296.484 2.288 10 0 CEAERO CC(C)C[NH+]1CCN(C[C@@H]2C[C@H](C)CCC2=O)CC1 ZINC000055081607 519726576 /nfs/dbraw/zinc/72/65/76/519726576.db2.gz PHYGCXVZMCNKFS-CABCVRRESA-N 1 0 266.429 2.265 10 0 CEAERO CC(C)[NH2+]Cc1cnc(N(C)C2CCOCC2)s1 ZINC000054904588 519728605 /nfs/dbraw/zinc/72/86/05/519728605.db2.gz GQQZXFONOJWSKE-UHFFFAOYSA-N 1 0 269.414 2.256 10 0 CEAERO CC(C)[NH2+]Cc1nnnn1[C@@H](C)C1CCCCC1 ZINC000054746816 519729553 /nfs/dbraw/zinc/72/95/53/519729553.db2.gz HBEBYYLIAALGDR-NSHDSACASA-N 1 0 251.378 2.312 10 0 CEAERO CC(C)[NH2+][C@@](C)(CCOC1CCC(C)CC1)C(N)=O ZINC000045479290 519736179 /nfs/dbraw/zinc/73/61/79/519736179.db2.gz CRKOXMNBTWXDBY-PIMMBPRGSA-N 1 0 270.417 2.214 10 0 CEAERO CC(C)N[C@](C)(C[C@@H](C)[NH+]1CCC(C)(C)CC1)C(N)=O ZINC000068643311 519739874 /nfs/dbraw/zinc/73/98/74/519739874.db2.gz BUERWKKNFCEHML-CZUORRHYSA-N 1 0 283.460 2.129 10 0 CEAERO CC(C)C[NH2+]CCN1CCN(c2ccccc2F)CC1 ZINC000052374700 519744266 /nfs/dbraw/zinc/74/42/66/519744266.db2.gz ZIZAGBVQSWOBQC-UHFFFAOYSA-N 1 0 279.403 2.193 10 0 CEAERO CC(C)C[NH2+]C[C@H]1CC[C@@H](COCCOC(C)C)O1 ZINC000052627617 519746472 /nfs/dbraw/zinc/74/64/72/519746472.db2.gz YSHPZAUTSRSXMI-CABCVRRESA-N 1 0 273.417 2.221 10 0 CEAERO CC(C)C[NH2+]Cc1cc(F)ccc1N1CCC[C@H]1C(N)=O ZINC000062734985 519746671 /nfs/dbraw/zinc/74/66/71/519746671.db2.gz AWJBVNCWEPUYEF-HNNXBMFYSA-N 1 0 293.386 2.025 10 0 CEAERO CC(C)C[NH2+]Cc1cc(F)ccc1N1CC[C@H](O)C1 ZINC000062738258 519747026 /nfs/dbraw/zinc/74/70/26/519747026.db2.gz LXGSHYUWZFANMD-AWEZNQCLSA-N 1 0 266.360 2.142 10 0 CEAERO CC(C)C[NH2+]Cc1ccccc1N(CCO)C1CC1 ZINC000062737636 519747757 /nfs/dbraw/zinc/74/77/57/519747757.db2.gz RMHFXMFKLHWHRD-UHFFFAOYSA-N 1 0 262.397 2.393 10 0 CEAERO CC(C)C[C@@H](CN(C)C)[NH2+]CC(=O)Nc1ccccc1 ZINC000049555990 519775642 /nfs/dbraw/zinc/77/56/42/519775642.db2.gz LSKZSSUWPYCSSB-HNNXBMFYSA-N 1 0 277.412 2.191 10 0 CEAERO CC(C)C[C@@H](CN(C)C)[NH2+]CC(=O)Nc1cccc(F)c1 ZINC000049555996 519775853 /nfs/dbraw/zinc/77/58/53/519775853.db2.gz IPKCVXFSRHAKIJ-HNNXBMFYSA-N 1 0 295.402 2.330 10 0 CEAERO CC(C)Oc1cccc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000061666816 519782416 /nfs/dbraw/zinc/78/24/16/519782416.db2.gz ZRGLZBBDSFIOKW-HUUCEWRRSA-N 1 0 276.380 2.474 10 0 CEAERO CC(C)[C@@H](CN(C)C)[NH2+]C[C@@H](O)c1cc(F)ccc1F ZINC000049204652 519793556 /nfs/dbraw/zinc/79/35/56/519793556.db2.gz WKFUBKNBKSBAMW-HUUCEWRRSA-N 1 0 286.366 2.174 10 0 CEAERO CC(C)[C@@H](C[NH2+]C1CC1)Cc1nnnn1-c1ccccc1 ZINC000052972591 519794758 /nfs/dbraw/zinc/79/47/58/519794758.db2.gz GLGJSGQSBKEGAR-CYBMUJFWSA-N 1 0 285.395 2.229 10 0 CEAERO CC(C)[C@@H](C[NH2+]C1CC1)n1nnc(-c2ccccc2)n1 ZINC000052574735 519794815 /nfs/dbraw/zinc/79/48/15/519794815.db2.gz CEDCKTLHSVQGDD-CQSZACIVSA-N 1 0 271.368 2.289 10 0 CEAERO CC(C)[C@@H](C[NH2+]C1CC1)Oc1ccc(S(C)(=O)=O)cc1 ZINC000052701924 519794842 /nfs/dbraw/zinc/79/48/42/519794842.db2.gz LAIAQCLKPLOUFJ-OAHLLOKOSA-N 1 0 297.420 2.246 10 0 CEAERO CC(C)[C@@H]1CN(Cc2ccn(C3CCCC3)n2)CC[NH2+]1 ZINC000068692550 519804612 /nfs/dbraw/zinc/80/46/12/519804612.db2.gz NVVUVJWWUHTAJI-INIZCTEOSA-N 1 0 276.428 2.428 10 0 CEAERO CC(C)[C@H](C[NH+](C)C)Nc1ccc(C(N)=S)cc1 ZINC000049224971 519814910 /nfs/dbraw/zinc/81/49/10/519814910.db2.gz AMBDFQWCIQHMII-ZDUSSCGKSA-N 1 0 265.426 2.319 10 0 CEAERO CC(C)c1ccc(SC[C@@]([NH3+])(C(N)=O)C2CC2)cc1 ZINC000069186517 519838958 /nfs/dbraw/zinc/83/89/58/519838958.db2.gz LLGGJEUFBRURGD-HNNXBMFYSA-N 1 0 278.421 2.495 10 0 CEAERO CC(C)c1ccccc1NS(=O)(=O)C[C@H]1CCC[NH2+]1 ZINC000049640842 519847092 /nfs/dbraw/zinc/84/70/92/519847092.db2.gz USRUDETZWARTHA-GFCCVEGCSA-N 1 0 282.409 2.304 10 0 CEAERO CCC1CC[NH+](CC[C@H](NC(C)C)C(=O)OC)CC1 ZINC000062526517 519859094 /nfs/dbraw/zinc/85/90/94/519859094.db2.gz ZUAKKWNUFAVCGV-AWEZNQCLSA-N 1 0 270.417 2.038 10 0 CEAERO CCCNC(=O)COc1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000062728730 519881202 /nfs/dbraw/zinc/88/12/02/519881202.db2.gz JXUAZXNCBMHKKX-UHFFFAOYSA-N 1 0 278.396 2.480 10 0 CEAERO CCCNC(=O)COc1cccc(C[NH2+]C(C)(C)C)c1 ZINC000062731276 519881690 /nfs/dbraw/zinc/88/16/90/519881690.db2.gz BCQXVNCHVBXGQB-UHFFFAOYSA-N 1 0 278.396 2.480 10 0 CEAERO CC(C)c1nn(C)cc1C[NH2+][C@@H](CN(C)C)C(C)C ZINC000049199276 519882755 /nfs/dbraw/zinc/88/27/55/519882755.db2.gz WLZIGVODUXLEPB-AWEZNQCLSA-N 1 0 266.433 2.219 10 0 CEAERO CCCNC(=O)[C@@H](C)Oc1cc(F)ccc1[C@H](C)[NH2+]C ZINC000062746476 519888941 /nfs/dbraw/zinc/88/89/41/519888941.db2.gz HDKRVPSTJIFSEV-WDEREUQCSA-N 1 0 282.359 2.400 10 0 CEAERO CCCC1CC[NH+](C[C@](C)(NCC)C(=O)OC)CC1 ZINC000050905651 519902381 /nfs/dbraw/zinc/90/23/81/519902381.db2.gz OGVBSJSNYADUMF-HNNXBMFYSA-N 1 0 270.417 2.040 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N(C)Cc1ccc(OC)cc1 ZINC000061293914 519903577 /nfs/dbraw/zinc/90/35/77/519903577.db2.gz PRKJFRWJYRPICA-UHFFFAOYSA-N 1 0 264.369 2.042 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N1CCn2c(C)ccc2[C@H]1C ZINC000061293964 519904576 /nfs/dbraw/zinc/90/45/76/519904576.db2.gz FVRLXVPRXXMKEA-GFCCVEGCSA-N 1 0 263.385 2.088 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)NCc1ccc(-c2cc[nH]n2)cc1 ZINC000061298312 519904957 /nfs/dbraw/zinc/90/49/57/519904957.db2.gz SMTQQIAKPMLHEP-UHFFFAOYSA-N 1 0 286.379 2.081 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N[C@@H](C)COc1ccc(C)cc1 ZINC000061298173 519905563 /nfs/dbraw/zinc/90/55/63/519905563.db2.gz WLSIGDPQCLQEPG-ZDUSSCGKSA-N 1 0 278.396 2.267 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000061291302 519906485 /nfs/dbraw/zinc/90/64/85/519906485.db2.gz XQMOOMBUSKVJNQ-UHFFFAOYSA-N 1 0 290.411 2.399 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 ZINC000061290306 519906972 /nfs/dbraw/zinc/90/69/72/519906972.db2.gz SVQSCQYCPIGQAV-UHFFFAOYSA-N 1 0 298.770 2.453 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000061290662 519907636 /nfs/dbraw/zinc/90/76/36/519907636.db2.gz DBZCRVMEWJDJFX-UHFFFAOYSA-N 1 0 272.352 2.199 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1cccc(NC(=O)OC)c1 ZINC000061293624 519908278 /nfs/dbraw/zinc/90/82/78/519908278.db2.gz NSWCVZUDIPYOPC-UHFFFAOYSA-N 1 0 279.340 2.192 10 0 CEAERO CCC[NH2+]CC1(CN(C)CC(F)(F)F)CCOCC1 ZINC000052182044 519909615 /nfs/dbraw/zinc/90/96/15/519909615.db2.gz VPABHNFALCJHKT-UHFFFAOYSA-N 1 0 282.350 2.277 10 0 CEAERO CC[NH2+]CCC(=O)N(Cc1ccc(F)cc1F)C1CC1 ZINC000061294896 519915592 /nfs/dbraw/zinc/91/55/92/519915592.db2.gz SCEHGPCMBKLASN-UHFFFAOYSA-N 1 0 282.334 2.455 10 0 CEAERO CC[NH2+]CCC(=O)N1CCC[C@H]1c1cccs1 ZINC000061294074 519915888 /nfs/dbraw/zinc/91/58/88/519915888.db2.gz WBEDKXIAVBUYPH-NSHDSACASA-N 1 0 252.383 2.411 10 0 CEAERO CC[NH2+]CCC(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000061287079 519917245 /nfs/dbraw/zinc/91/72/45/519917245.db2.gz PAOGDRCYDBNLMZ-UHFFFAOYSA-N 1 0 286.759 2.295 10 0 CEAERO CC[NH2+]CCC(=O)Nc1ccc(OC)c(OC(F)F)c1 ZINC000061292906 519918292 /nfs/dbraw/zinc/91/82/92/519918292.db2.gz ZBZXEUAEYGUHBL-UHFFFAOYSA-N 1 0 288.294 2.235 10 0 CEAERO CC[NH2+]CCC(=O)Nc1cccc(OC(F)F)c1 ZINC000061291573 519918425 /nfs/dbraw/zinc/91/84/25/519918425.db2.gz XXIIJFJJNIIWST-UHFFFAOYSA-N 1 0 258.268 2.226 10 0 CEAERO CCC[NH2+]C[C@@H](CC)n1nnc(-c2ccccc2)n1 ZINC000052574745 519921239 /nfs/dbraw/zinc/92/12/39/519921239.db2.gz BFOQWNZZGQAUCB-CYBMUJFWSA-N 1 0 259.357 2.291 10 0 CEAERO CC(C)n1c(N)nnc1SCC[C@@H]1CCCC[NH2+]1 ZINC000062801442 519921226 /nfs/dbraw/zinc/92/12/26/519921226.db2.gz DMWDYJYIFVCLOD-JTQLQIEISA-N 1 0 269.418 2.066 10 0 CEAERO CCC[NH2+]C[C@@H]1CCCCN1c1nc(C)cnc1C ZINC000053698899 519922330 /nfs/dbraw/zinc/92/23/30/519922330.db2.gz CNYBJOBSMRWHOP-AWEZNQCLSA-N 1 0 262.401 2.452 10 0 CEAERO CC[NH2+]CCNc1cc(C)c(Br)cn1 ZINC000163955185 519923558 /nfs/dbraw/zinc/92/35/58/519923558.db2.gz GIMAQUWICNPOCL-UHFFFAOYSA-N 1 0 258.163 2.174 10 0 CEAERO CC(C)n1c(Sc2ccc([C@@H](C)[NH3+])cc2)n[nH]c1=O ZINC000061595931 519925226 /nfs/dbraw/zinc/92/52/26/519925226.db2.gz XYCSQFVDRDIVIT-SECBINFHSA-N 1 0 278.381 2.323 10 0 CEAERO CCOCCN1C[C@H](C(C)C)[NH2+]C[C@@H]1CC(C)C ZINC000068703241 519925646 /nfs/dbraw/zinc/92/56/46/519925646.db2.gz SNFJUMNVACBSLB-LSDHHAIUSA-N 1 0 256.434 2.367 10 0 CEAERO CCC[NH2+]C[C@@H]1CC[C@H](Cn2ccc(C(F)(F)F)n2)O1 ZINC000052592650 519927996 /nfs/dbraw/zinc/92/79/96/519927996.db2.gz HXCRLDMVSKZXKR-WDEREUQCSA-N 1 0 291.317 2.449 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N(Cc1ccco1)CC(F)(F)F ZINC000061235407 519933251 /nfs/dbraw/zinc/93/32/51/519933251.db2.gz ZAWOQYJCNAMISK-SNVBAGLBSA-N 1 0 292.301 2.416 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000061233886 519939228 /nfs/dbraw/zinc/93/92/28/519939228.db2.gz PAHDEHDJHXEINX-LLVKDONJSA-N 1 0 272.352 2.261 10 0 CEAERO CC[NH2+]C[C@@H](C)COc1ccc(CCOC)cc1 ZINC000052699313 519943323 /nfs/dbraw/zinc/94/33/23/519943323.db2.gz QWSZKAIBFOGKLS-CYBMUJFWSA-N 1 0 251.370 2.500 10 0 CEAERO CC[NH2+]C[C@@H](C)c1c(C)nc(-c2ncccn2)nc1C ZINC000054854830 519945376 /nfs/dbraw/zinc/94/53/76/519945376.db2.gz ZAACXUKCCABOPI-SNVBAGLBSA-N 1 0 271.368 2.263 10 0 CEAERO CC[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000055027693 519946403 /nfs/dbraw/zinc/94/64/03/519946403.db2.gz UXLGHPYSTFOBHO-SNVBAGLBSA-N 1 0 262.122 2.231 10 0 CEAERO CC[NH2+]C[C@@H](OCCOCC)c1cccc(OC)c1 ZINC000050489702 519947641 /nfs/dbraw/zinc/94/76/41/519947641.db2.gz GHFPOVNEGLVMMP-OAHLLOKOSA-N 1 0 267.369 2.399 10 0 CEAERO CCC[NH2+]Cc1ccc(O[C@@H](CC)C(N)=O)c(OCC)c1 ZINC000061675748 519952799 /nfs/dbraw/zinc/95/27/99/519952799.db2.gz AOBNBCYPKSUFLA-ZDUSSCGKSA-N 1 0 294.395 2.228 10 0 CEAERO CCC[NH2+]Cc1ccccc1OCCN1CCO[C@H](C)C1 ZINC000052382477 519955934 /nfs/dbraw/zinc/95/59/34/519955934.db2.gz NNGALUNHSJCOLT-OAHLLOKOSA-N 1 0 292.423 2.286 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000061230875 519965943 /nfs/dbraw/zinc/96/59/43/519965943.db2.gz FKDXUHDVTFVEBH-VIFPVBQESA-N 1 0 298.770 2.295 10 0 CEAERO CCC[NH2+]Cc1nccn1CCCOCC(F)(F)F ZINC000051005083 519967959 /nfs/dbraw/zinc/96/79/59/519967959.db2.gz PCYDWJCEDGGQAT-UHFFFAOYSA-N 1 0 279.306 2.352 10 0 CEAERO CC[NH2+]C[C@H](C)N1CCN(c2cccc(Cl)c2)CC1 ZINC000052418972 519970107 /nfs/dbraw/zinc/97/01/07/519970107.db2.gz BOLZSWMPBZBCQG-ZDUSSCGKSA-N 1 0 281.831 2.460 10 0 CEAERO CC[NH2+]C[C@H](CC)N1CCN(c2ccccc2F)CC1 ZINC000052374668 519971701 /nfs/dbraw/zinc/97/17/01/519971701.db2.gz CFQRNJHMUNFOJP-AWEZNQCLSA-N 1 0 279.403 2.336 10 0 CEAERO CC[NH2+]C[C@H](Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000052950509 519972833 /nfs/dbraw/zinc/97/28/33/519972833.db2.gz GLVIZPLZMNWUHB-KGLIPLIRSA-N 1 0 299.411 2.029 10 0 CEAERO CC[NH2+]Cc1c(C)nn(C[C@@H]2CCCCO2)c1C ZINC000054717396 519985597 /nfs/dbraw/zinc/98/55/97/519985597.db2.gz ZFHSPYDJVOPPQS-ZDUSSCGKSA-N 1 0 251.374 2.179 10 0 CEAERO CC[NH2+]Cc1cc(C)nc(Cc2csc(C)n2)n1 ZINC000055296826 519988556 /nfs/dbraw/zinc/98/85/56/519988556.db2.gz SKIWFOVHNCBADQ-UHFFFAOYSA-N 1 0 262.382 2.250 10 0 CEAERO CCC[NH2+][C@@H](C)c1cnc(-c2cnccn2)nc1C ZINC000054963088 519990681 /nfs/dbraw/zinc/99/06/81/519990681.db2.gz HTURLQCYZMOREL-JTQLQIEISA-N 1 0 257.341 2.303 10 0 CEAERO CC[NH2+]Cc1cc(F)c(-n2nc(C)nc2C)c(F)c1 ZINC000062719723 519992520 /nfs/dbraw/zinc/99/25/20/519992520.db2.gz IBIODYVOFRDGAS-UHFFFAOYSA-N 1 0 266.295 2.272 10 0 CEAERO CCC[NH2+][C@@H](c1cc(C)ccc1OC)[C@H]1COCCO1 ZINC000055300895 520016806 /nfs/dbraw/zinc/01/68/06/520016806.db2.gz CFTMNIVYTOIPAF-CVEARBPZSA-N 1 0 279.380 2.460 10 0 CEAERO CCC[NH2+][C@@H]1CCOC[C@H]1n1ncc2ccccc21 ZINC000050525650 520025183 /nfs/dbraw/zinc/02/51/83/520025183.db2.gz SKPDKHVGNAHYBO-UKRRQHHQSA-N 1 0 259.353 2.366 10 0 CEAERO CC[NH2+]Cc1nnnn1[C@@H](c1cccs1)C(C)C ZINC000054747576 520026617 /nfs/dbraw/zinc/02/66/17/520026617.db2.gz JDPLQKIGQDWTPL-GFCCVEGCSA-N 1 0 265.386 2.090 10 0 CEAERO CC[NH2+]Cc1sc(N2C[C@@H](C)O[C@H](C)C2)nc1CC ZINC000054995488 520035480 /nfs/dbraw/zinc/03/54/80/520035480.db2.gz JROGZNVNRCZXNL-GHMZBOCLSA-N 1 0 283.441 2.429 10 0 CEAERO CCOCCOc1c(C)cc(C[NH2+]CCOC)cc1C ZINC000062728654 520037457 /nfs/dbraw/zinc/03/74/57/520037457.db2.gz PSJIASPSBLRTIH-UHFFFAOYSA-N 1 0 281.396 2.455 10 0 CEAERO CCCN[C@@](C[N@H+](C)C(CC)CC)(C(=O)OC)C1CC1 ZINC000069099438 520046308 /nfs/dbraw/zinc/04/63/08/520046308.db2.gz RKDBUQDIEHXUIJ-MRXNPFEDSA-N 1 0 284.444 2.428 10 0 CEAERO CCCN[C@@](C[N@H+](C)[C@@H](C)C(C)C)(C(=O)OC)C1CC1 ZINC000069099569 520049885 /nfs/dbraw/zinc/04/98/85/520049885.db2.gz HPIDCMJXDMATNN-XJKSGUPXSA-N 1 0 284.444 2.284 10 0 CEAERO CCC[NH2+][C@@](COc1ccccc1C)(C(N)=O)C1CC1 ZINC000069197459 520057339 /nfs/dbraw/zinc/05/73/39/520057339.db2.gz NFFHTGSYTMIBLH-MRXNPFEDSA-N 1 0 276.380 2.008 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(OC)c1OC ZINC000061271725 520059651 /nfs/dbraw/zinc/05/96/51/520059651.db2.gz IRWGGYJQRZXPLG-LBPRGKRZSA-N 1 0 294.395 2.050 10 0 CEAERO CCC[NH2+][C@H](C)c1cccc(OC[C@H](O)COC)c1 ZINC000069053573 520065226 /nfs/dbraw/zinc/06/52/26/520065226.db2.gz NZFNPWIPLBOBJK-TZMCWYRMSA-N 1 0 267.369 2.133 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N[C@@H]1CCCc2occc21 ZINC000061273756 520067158 /nfs/dbraw/zinc/06/71/58/520067158.db2.gz XPALEBRGQILXEB-CMPLNLGQSA-N 1 0 250.342 2.161 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000061270941 520070661 /nfs/dbraw/zinc/07/06/61/520070661.db2.gz UEEGHLXDBXFGEI-LBPRGKRZSA-N 1 0 284.363 2.470 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1ccccc1Cn1cccn1 ZINC000061270655 520070705 /nfs/dbraw/zinc/07/07/05/520070705.db2.gz PDAVBHFNXSUVGY-ZDUSSCGKSA-N 1 0 286.379 2.258 10 0 CEAERO CC[NH2+][C@@H](C)c1cc(C)ccc1O[C@H](CC)C(N)=O ZINC000061675929 520075275 /nfs/dbraw/zinc/07/52/75/520075275.db2.gz VLVSEKKNOPXZOT-WCQYABFASA-N 1 0 264.369 2.308 10 0 CEAERO CCC[NH2+][C@H](COC)Cc1nc(CC(C)(C)C)no1 ZINC000068849663 520083676 /nfs/dbraw/zinc/08/36/76/520083676.db2.gz JYKNMXWSCPVJJK-NSHDSACASA-N 1 0 269.389 2.215 10 0 CEAERO CCC[NH2+][C@H](c1ccc(OC)cc1F)[C@H]1COCCO1 ZINC000055300783 520091125 /nfs/dbraw/zinc/09/11/25/520091125.db2.gz GSHLRRCFWMPAFN-HUUCEWRRSA-N 1 0 283.343 2.290 10 0 CEAERO CCC[NH2+][C@H]1CCN(c2ccc(OC)cc2C)C1=O ZINC000061567985 520096644 /nfs/dbraw/zinc/09/66/44/520096644.db2.gz YBFCMXYYXLPLEI-ZDUSSCGKSA-N 1 0 262.353 2.109 10 0 CEAERO CC[NH2+][C@@H](Cn1ncccc1=O)c1ccc(C)c(C)c1 ZINC000061402138 520107720 /nfs/dbraw/zinc/10/77/20/520107720.db2.gz AEZDSLSSXZEXPZ-HNNXBMFYSA-N 1 0 271.364 2.211 10 0 CEAERO CC[NH2+][C@@H](c1ccc(OC)c(C)c1)[C@H]1COCCO1 ZINC000055300290 520109849 /nfs/dbraw/zinc/10/98/49/520109849.db2.gz TTZOLGUHRSAMEA-CABCVRRESA-N 1 0 265.353 2.070 10 0 CEAERO CC[NH2+][C@@H](c1ccc2c(c1)CCC2)[C@H]1COCCO1 ZINC000055300134 520112768 /nfs/dbraw/zinc/11/27/68/520112768.db2.gz NPMAJUXLFGNDJI-CVEARBPZSA-N 1 0 261.365 2.241 10 0 CEAERO CC[NH2+][C@@H](c1ccc(OC)cc1C)[C@@H]1COCCO1 ZINC000055299984 520112810 /nfs/dbraw/zinc/11/28/10/520112810.db2.gz OGIMAGNULANSMD-GJZGRUSLSA-N 1 0 265.353 2.070 10 0 CEAERO CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1N(C)CCOC ZINC000054555355 520121159 /nfs/dbraw/zinc/12/11/59/520121159.db2.gz WIODYYJSBSQOGI-KFWWJZLASA-N 1 0 256.434 2.367 10 0 CEAERO CCCN[C@](C[N@@H+]1CCC[C@@H]1CC)(C(=O)OC)C1CC1 ZINC000069088206 520122442 /nfs/dbraw/zinc/12/24/42/520122442.db2.gz FFQBBHNDWKZUDQ-HOCLYGCPSA-N 1 0 282.428 2.182 10 0 CEAERO CC[NH2+][C@@H]1COc2cc(OC[C@@H](O)C(F)(F)F)ccc21 ZINC000068878118 520123970 /nfs/dbraw/zinc/12/39/70/520123970.db2.gz PBGADURAFSYLGL-ZYHUDNBSSA-N 1 0 291.269 2.032 10 0 CEAERO CCCCCC[C@H](C)NS(=O)(=O)C[C@@H]1CCC[NH2+]1 ZINC000049645746 520131066 /nfs/dbraw/zinc/13/10/66/520131066.db2.gz MFFRIGDPVSJSPE-STQMWFEESA-N 1 0 276.446 2.017 10 0 CEAERO CCCCCC[C@H](C)[NH2+][C@@H](C)C(=O)NCCCOC ZINC000049202752 520131082 /nfs/dbraw/zinc/13/10/82/520131082.db2.gz XRLOLMWCXVZARD-KBPBESRZSA-N 1 0 272.433 2.476 10 0 CEAERO CCCNc1cc(C(=O)N[C@@H]2CCC[N@H+](CC)C2)ccn1 ZINC000050777700 520132279 /nfs/dbraw/zinc/13/22/79/520132279.db2.gz HKHWHNXGNQVNSY-CQSZACIVSA-N 1 0 290.411 2.118 10 0 CEAERO CCCCCN(C)c1c(C[NH2+]CCOC)c(C)nn1C ZINC000062735468 520155852 /nfs/dbraw/zinc/15/58/52/520155852.db2.gz KZVRMLNUAIKXRK-UHFFFAOYSA-N 1 0 282.432 2.091 10 0 CEAERO CC[NH2+][C@@](CSc1ccccc1F)(C(N)=O)C1CC1 ZINC000069186329 520159177 /nfs/dbraw/zinc/15/91/77/520159177.db2.gz COHLKQGOZCSMTK-CQSZACIVSA-N 1 0 282.384 2.161 10 0 CEAERO CCOC[C@H](O)COc1ccc(Cl)cc1[C@H](C)[NH3+] ZINC000069275795 520163972 /nfs/dbraw/zinc/16/39/72/520163972.db2.gz JEESHYYKPZWGMI-ONGXEEELSA-N 1 0 273.760 2.136 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000061272517 520164301 /nfs/dbraw/zinc/16/43/01/520164301.db2.gz CRYRAHKEMVYEFM-IUODEOHRSA-N 1 0 294.370 2.114 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000061271453 520164777 /nfs/dbraw/zinc/16/47/77/520164777.db2.gz QVJZWKHHUZNBEB-NXEZZACHSA-N 1 0 266.307 2.175 10 0 CEAERO CC[NH2+][C@H](C)Cc1nc2cc(Br)cnc2[nH]1 ZINC000061181986 520176616 /nfs/dbraw/zinc/17/66/16/520176616.db2.gz UHTMTDVTHMBEPB-SSDOTTSWSA-N 1 0 283.173 2.261 10 0 CEAERO CC[NH2+][C@H](C)Cc1nc(Cc2ccc(OC)cc2)no1 ZINC000061213045 520176177 /nfs/dbraw/zinc/17/61/77/520176177.db2.gz PGGOQZFPXBZAFZ-LLVKDONJSA-N 1 0 275.352 2.210 10 0 CEAERO CCCNc1ccccc1C(=O)NC1CC[NH+](C)CC1 ZINC000050749523 520176819 /nfs/dbraw/zinc/17/68/19/520176819.db2.gz CWNWJGOPFDZSCK-UHFFFAOYSA-N 1 0 275.396 2.333 10 0 CEAERO CCCNc1ccccc1C(=O)NC[C@H](C)[NH+](C)C ZINC000050779883 520176856 /nfs/dbraw/zinc/17/68/56/520176856.db2.gz YQVSJUOZAUMVFY-LBPRGKRZSA-N 1 0 263.385 2.188 10 0 CEAERO CC[NH2+][C@H](C)c1cnc(N2CCO[C@@H](CC)C2)s1 ZINC000054903644 520181219 /nfs/dbraw/zinc/18/12/19/520181219.db2.gz NNRYLCXIRYHWSI-MNOVXSKESA-N 1 0 269.414 2.429 10 0 CEAERO CC[NH2+][C@H](c1ccc2c(c1)oc(=O)n2C)C1CCOCC1 ZINC000061672271 520210609 /nfs/dbraw/zinc/21/06/09/520210609.db2.gz PTBUIBNTSUUHDS-HNNXBMFYSA-N 1 0 290.363 2.209 10 0 CEAERO CC1(C(=O)N2CCC[C@H]2c2ccncc2)CC[NH2+]CC1 ZINC000062839903 520216497 /nfs/dbraw/zinc/21/64/97/520216497.db2.gz YCAQGSBUEHYJKG-AWEZNQCLSA-N 1 0 273.380 2.135 10 0 CEAERO CC[NH2+][C@H]1COc2cc(OCc3noc(C)n3)ccc21 ZINC000062804662 520222217 /nfs/dbraw/zinc/22/22/17/520222217.db2.gz VLBVPGVUQQWSDU-LBPRGKRZSA-N 1 0 275.308 2.000 10 0 CEAERO CCN[C@](C)(CCC[N@@H+]1CCCC(C)(C)C1)C(=O)OC ZINC000069516660 520227575 /nfs/dbraw/zinc/22/75/75/520227575.db2.gz XZXWJTXGVZLMCV-MRXNPFEDSA-N 1 0 284.444 2.430 10 0 CEAERO CC[NH2+][C@](C)(C[C@H](C)N(CC)c1ccccc1C)C(N)=O ZINC000068616692 520239399 /nfs/dbraw/zinc/23/93/99/520239399.db2.gz IFGXDXJXMOEPRC-WMLDXEAASA-N 1 0 291.439 2.453 10 0 CEAERO CCNc1cc(CN2CC[NH+](C(C)C)CC2)ccn1 ZINC000052721168 520272749 /nfs/dbraw/zinc/27/27/49/520272749.db2.gz DXDHNKAUEQKJPN-UHFFFAOYSA-N 1 0 262.401 2.039 10 0 CEAERO CCCO[C@@H]1CCCN([C@@H](CC)C[NH2+]C2CC2)C1 ZINC000052371507 520273085 /nfs/dbraw/zinc/27/30/85/520273085.db2.gz WWVIXMPBBZRWAH-LSDHHAIUSA-N 1 0 254.418 2.408 10 0 CEAERO CCNc1cc(CN2CC[NH+](C(C)(C)C)CC2)ccn1 ZINC000052729922 520273207 /nfs/dbraw/zinc/27/32/07/520273207.db2.gz XJWNUUSRMSFXGP-UHFFFAOYSA-N 1 0 276.428 2.430 10 0 CEAERO CCCO[C@H]1CCCN(C(=O)[C@@H](C[NH3+])c2ccccc2)C1 ZINC000061612556 520280777 /nfs/dbraw/zinc/28/07/77/520280777.db2.gz YHCWZVYMMIXJDI-HOTGVXAUSA-N 1 0 290.407 2.147 10 0 CEAERO CCNc1nc2ccccc2cc1C[N@H+](C)CCO ZINC000050814505 520360058 /nfs/dbraw/zinc/36/00/58/520360058.db2.gz HHWKWLOXGYZWTM-UHFFFAOYSA-N 1 0 259.353 2.091 10 0 CEAERO CC1(C)CCN(C(=O)COc2ccc(C[NH3+])cc2)CC1 ZINC000061818767 520365851 /nfs/dbraw/zinc/36/58/51/520365851.db2.gz MKQHBYCKGJGVRZ-UHFFFAOYSA-N 1 0 276.380 2.173 10 0 CEAERO CCCOc1ccc(C[C@@H](C[NH3+])C(=O)N2CCCC2)cc1 ZINC000052919433 520377049 /nfs/dbraw/zinc/37/70/49/520377049.db2.gz VINGGQDPHZFXAX-HNNXBMFYSA-N 1 0 290.407 2.215 10 0 CEAERO CCN(CC(F)(F)F)C(=O)C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000055137080 520415834 /nfs/dbraw/zinc/41/58/34/520415834.db2.gz 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/nfs/dbraw/zinc/80/75/78/520807578.db2.gz GYQGKPKBUFRFNE-SOUVJXGZSA-N 1 0 256.434 2.342 10 0 CEAERO CCC[C@@H](c1cccs1)n1nnnc1C[NH2+]CC ZINC000054747141 520811728 /nfs/dbraw/zinc/81/17/28/520811728.db2.gz BIVQKWWRXNHQQD-JTQLQIEISA-N 1 0 265.386 2.234 10 0 CEAERO CCOC(=O)N1CCC([NH2+]Cc2cc(C)n(C)c2C)CC1 ZINC000052789644 520931003 /nfs/dbraw/zinc/93/10/03/520931003.db2.gz SQMDRBWDGXEQED-UHFFFAOYSA-N 1 0 293.411 2.352 10 0 CEAERO CCC[C@@]1(C(=O)N(C)Cc2ccsc2)CC[NH2+]C1 ZINC000062890695 520941507 /nfs/dbraw/zinc/94/15/07/520941507.db2.gz XECPKSSGSIIQJB-CQSZACIVSA-N 1 0 266.410 2.486 10 0 CEAERO CC1CCC(NC(=O)C2CCC(C[NH3+])CC2)CC1 ZINC000055146057 520945568 /nfs/dbraw/zinc/94/55/68/520945568.db2.gz ASWIFVRXMYTQOE-UHFFFAOYSA-N 1 0 252.402 2.446 10 0 CEAERO CC[N@H+](CC1CC1)[C@@]1(CN)CCN(Cc2ccccc2)C1 ZINC000069237473 520966024 /nfs/dbraw/zinc/96/60/24/520966024.db2.gz DKXNNTUTDZFWDC-GOSISDBHSA-N 1 0 287.451 2.322 10 0 CEAERO CCC[C@@]1(c2nnc3n2CCCCC3)CCC[NH2+]C1 ZINC000062871524 520967650 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ZINC000054745054 521267599 /nfs/dbraw/zinc/26/75/99/521267599.db2.gz JWMCQEKDRJAROG-UHFFFAOYSA-N 1 0 259.357 2.114 10 0 CEAERO CCOC(=O)[C@H](NCC[NH+](C)C)c1ccccc1CC ZINC000052204508 521269444 /nfs/dbraw/zinc/26/94/44/521269444.db2.gz BQOIEMQESUMADO-OAHLLOKOSA-N 1 0 278.396 2.004 10 0 CEAERO CCOC(=O)[C@H](NCC[NH+](C)C)c1cc(C)sc1C ZINC000049687809 521269654 /nfs/dbraw/zinc/26/96/54/521269654.db2.gz FILPGMTWFKTPLI-CYBMUJFWSA-N 1 0 284.425 2.120 10 0 CEAERO CCN(C[C@](C)([NH3+])c1ccccc1)[C@@H](C)COC ZINC000052883588 521273641 /nfs/dbraw/zinc/27/36/41/521273641.db2.gz BDZNGGNTBGEYSG-ZFWWWQNUSA-N 1 0 250.386 2.217 10 0 CEAERO CCOC(=O)[C@](C)(C[N@H+](C)C(C)(C)CC)NC(C)C ZINC000069446796 521319614 /nfs/dbraw/zinc/31/96/14/521319614.db2.gz BHFOZDVBBPZKLG-HNNXBMFYSA-N 1 0 272.433 2.427 10 0 CEAERO CCOC(=O)[C@](C)(C[C@H](C)[NH+](CC1CC1)CC1CC1)NC ZINC000068648021 521324520 /nfs/dbraw/zinc/32/45/20/521324520.db2.gz FVQFYWBQVBRIQN-GUYCJALGSA-N 1 0 296.455 2.428 10 0 CEAERO CCC(C)(C)[C@@H]1CC[C@@H](C[NH3+])[C@H](S(C)(=O)=O)C1 ZINC000068608622 521362166 /nfs/dbraw/zinc/36/21/66/521362166.db2.gz WHKKXEXSQWYPRZ-QJPTWQEYSA-N 1 0 261.431 2.211 10 0 CEAERO CCCc1cc(N[C@@H](C[NH+](C)C)C(C)C)ncn1 ZINC000049218350 521381137 /nfs/dbraw/zinc/38/11/37/521381137.db2.gz ZWZBCNMQMFNWOO-ZDUSSCGKSA-N 1 0 250.390 2.427 10 0 CEAERO CCN([C@@H](C[NH3+])c1cc(F)c(F)c(F)c1)[C@@H](C)COC ZINC000062711242 521473153 /nfs/dbraw/zinc/47/31/53/521473153.db2.gz JQWDUJJTSHERHA-ZANVPECISA-N 1 0 290.329 2.461 10 0 CEAERO CCCN(C)c1c(C[NH2+]C(C)(C)C)c(C)nn1C ZINC000062735297 521513636 /nfs/dbraw/zinc/51/36/36/521513636.db2.gz MIBCSOVSWHCTKF-UHFFFAOYSA-N 1 0 252.406 2.463 10 0 CEAERO CCCc1nc(N2C[C@H](C)O[C@@H](C)C2)sc1C[NH3+] ZINC000054995443 521534344 /nfs/dbraw/zinc/53/43/44/521534344.db2.gz PLFDIXGNYJVCFR-UWVGGRQHSA-N 1 0 269.414 2.168 10 0 CEAERO CCCc1[nH+]c2cc(N)ccc2n1[C@H](C)c1nncn1C ZINC000052853461 521541658 /nfs/dbraw/zinc/54/16/58/521541658.db2.gz XMMBVANQWLVCEK-SNVBAGLBSA-N 1 0 284.367 2.309 10 0 CEAERO CCCc1[nH+]c2cc(N)ccc2n1[C@@H](C)C(=O)N(C)C ZINC000052855420 521542747 /nfs/dbraw/zinc/54/27/47/521542747.db2.gz LJOQSSFLSHQGEW-JTQLQIEISA-N 1 0 274.368 2.220 10 0 CEAERO CC[NH+]1CCC(N(C)c2cc(C)nc(Cl)n2)CC1 ZINC000052814806 521566704 /nfs/dbraw/zinc/56/67/04/521566704.db2.gz VEZWGLVKRKCFOH-UHFFFAOYSA-N 1 0 268.792 2.359 10 0 CEAERO CCCn1c(CN2CCC[NH2+]CC2)nc2c1cccc2F ZINC000061145533 521629545 /nfs/dbraw/zinc/62/95/45/521629545.db2.gz PPIMIDJTEOFAGW-UHFFFAOYSA-N 1 0 290.386 2.381 10 0 CEAERO CCCn1c(S[C@@H](c2ccco2)[C@H]([NH3+])CC)n[nH]c1=O ZINC000061594885 521635587 /nfs/dbraw/zinc/63/55/87/521635587.db2.gz TUOKFCSTGWVSJP-MWLCHTKSSA-N 1 0 296.396 2.145 10 0 CEAERO CCS(=O)(=O)CC[C@H](C[NH2+]C)Cc1ccccc1C ZINC000052978687 521645806 /nfs/dbraw/zinc/64/58/06/521645806.db2.gz FUBSFKHDHPIKSR-AWEZNQCLSA-N 1 0 283.437 2.198 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CC=CCC2)C1 ZINC000069208843 521646366 /nfs/dbraw/zinc/64/63/66/521646366.db2.gz LQDXTZDNLYOZFX-KBPBESRZSA-N 1 0 265.401 2.126 10 0 CEAERO CC[N@@H+]1CCC[C@H](N2C(=S)N=NC2C(C)C)C1 ZINC000049219369 521651052 /nfs/dbraw/zinc/65/10/52/521651052.db2.gz LUHKLDMBBUTVTN-JTQLQIEISA-N 1 0 254.403 2.347 10 0 CEAERO CCCN(CCC[NH3+])C(=O)c1cc(C)ccc1F ZINC000052980492 521652987 /nfs/dbraw/zinc/65/29/87/521652987.db2.gz FXPSTPJPGUMYTC-UHFFFAOYSA-N 1 0 252.333 2.335 10 0 CEAERO CCCN(Cc1[nH+]c(NN)ccc1Cl)C1CC1 ZINC000061639068 521693753 /nfs/dbraw/zinc/69/37/53/521693753.db2.gz LOFRKNQFXQNSQL-UHFFFAOYSA-N 1 0 254.765 2.395 10 0 CEAERO CCNC(=[NH2+])N(C)Cc1cc(Br)cs1 ZINC000052039447 521731512 /nfs/dbraw/zinc/73/15/12/521731512.db2.gz UVJZVDHXMCVUSC-UHFFFAOYSA-N 1 0 276.203 2.487 10 0 CEAERO CCNC(=O)[C@@H](C)Oc1cccc(C[NH2+]C(C)(C)C)c1 ZINC000062731291 521743911 /nfs/dbraw/zinc/74/39/11/521743911.db2.gz YGFZTHRJSJQWSA-GFCCVEGCSA-N 1 0 278.396 2.478 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cc(OC)c(OC)cc1F ZINC000156818181 521836994 /nfs/dbraw/zinc/83/69/94/521836994.db2.gz YNHBUAQURLHQFV-ISVAXAHUSA-N 1 0 284.331 2.155 10 0 CEAERO COC(=O)c1cc(N)ccc1N[C@H](C)C[NH+]1CCCCC1 ZINC000049503217 521873383 /nfs/dbraw/zinc/87/33/83/521873383.db2.gz KZWVYCCLFFYAGH-GFCCVEGCSA-N 1 0 291.395 2.342 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1c1ccc2cc(N)ccc2n1 ZINC000061642947 521873850 /nfs/dbraw/zinc/87/38/50/521873850.db2.gz PLWDEGLSEMPQRP-CQSZACIVSA-N 1 0 270.380 2.347 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N(CC(F)(F)F)[C@H](C)C1CC1 ZINC000061317093 521933683 /nfs/dbraw/zinc/93/36/83/521933683.db2.gz NEABWNYLWQBWSJ-MRVPVSSYSA-N 1 0 266.307 2.174 10 0 CEAERO CCc1ccccc1OC[C@@]([NH2+]C(C)C)(C(N)=O)C1CC1 ZINC000069197968 521922212 /nfs/dbraw/zinc/92/22/12/521922212.db2.gz XFRXGQHFKPZRHZ-KRWDZBQOSA-N 1 0 290.407 2.260 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N(Cc1ccc(C)o1)C(C)C ZINC000061317450 521933858 /nfs/dbraw/zinc/93/38/58/521933858.db2.gz SPLRFTVYAWNINK-UHFFFAOYSA-N 1 0 252.358 2.323 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000061316366 521938226 /nfs/dbraw/zinc/93/82/26/521938226.db2.gz ULPBFFJBNBBGSX-DTWKUNHWSA-N 1 0 266.307 2.222 10 0 CEAERO C[NH2+]C(C)(C)C(=O)Nc1cc(OC)ccc1Cl ZINC000061318971 521941687 /nfs/dbraw/zinc/94/16/87/521941687.db2.gz SRVJOUKIMSIVLH-UHFFFAOYSA-N 1 0 256.733 2.285 10 0 CEAERO C[NH2+]C1CCC(NC(=O)c2cc(C)ccc2OC)CC1 ZINC000052943366 521947444 /nfs/dbraw/zinc/94/74/44/521947444.db2.gz GTOWQCUGCHZVTP-UHFFFAOYSA-N 1 0 276.380 2.264 10 0 CEAERO COCC[C@H]([NH3+])C(=O)Nc1cccc(Cl)c1Cl ZINC000052791181 521949288 /nfs/dbraw/zinc/94/92/88/521949288.db2.gz ICXYMQXUEFMNLF-QMMMGPOBSA-N 1 0 277.151 2.296 10 0 CEAERO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccccc1[C@H](C)O ZINC000049547183 521958468 /nfs/dbraw/zinc/95/84/68/521958468.db2.gz BIXKEZSHUJBKNF-KWBADKCTSA-N 1 0 250.342 2.052 10 0 CEAERO C[NH2+]CC[C@H](C)N1CCN(c2ccccc2Cl)CC1 ZINC000052443391 522018400 /nfs/dbraw/zinc/01/84/00/522018400.db2.gz HRZIXBVGALFQCX-ZDUSSCGKSA-N 1 0 281.831 2.460 10 0 CEAERO C[NH2+]CCc1c(C)nc(-c2ncccc2C)nc1C ZINC000054838140 522018569 /nfs/dbraw/zinc/01/85/69/522018569.db2.gz FIRWPZUFBFPNHI-UHFFFAOYSA-N 1 0 256.353 2.226 10 0 CEAERO C[NH2+]C[C@@H](C)c1c(C)nc(-c2ccccn2)nc1C ZINC000054854677 522032364 /nfs/dbraw/zinc/03/23/64/522032364.db2.gz UWKHEFWUCGMMKM-SNVBAGLBSA-N 1 0 256.353 2.478 10 0 CEAERO C[NH2+]C[C@@H]1CCCCN1C(=O)c1cccn1C1CC1 ZINC000063167427 522039790 /nfs/dbraw/zinc/03/97/90/522039790.db2.gz IRRNOWJRWQGBGI-ZDUSSCGKSA-N 1 0 261.369 2.037 10 0 CEAERO C[NH2+]C[C@@H]1CC[C@@H](Cn2cnc3cc(C)c(C)cc32)O1 ZINC000052575694 522058223 /nfs/dbraw/zinc/05/82/23/522058223.db2.gz PGSHLTXCDWIBDM-KBPBESRZSA-N 1 0 273.380 2.420 10 0 CEAERO C[NH2+]C[C@@]1(CN(C)c2cc(C)cc(C)c2)CCOC1 ZINC000051254534 522063593 /nfs/dbraw/zinc/06/35/93/522063593.db2.gz ZYLQWZCUWXRNRW-MRXNPFEDSA-N 1 0 262.397 2.366 10 0 CEAERO C[NH2+]C[C@H](C)c1c(C)nc(C[C@@H]2CCCO2)nc1C ZINC000054854670 522072612 /nfs/dbraw/zinc/07/26/12/522072612.db2.gz MNKVBNBRXWYKHK-GWCFXTLKSA-N 1 0 263.385 2.138 10 0 CEAERO C[NH2+]C[C@H](C)c1c(C)nc(C[C@H]2CCCO2)nc1C ZINC000054854671 522073168 /nfs/dbraw/zinc/07/31/68/522073168.db2.gz MNKVBNBRXWYKHK-GXFFZTMASA-N 1 0 263.385 2.138 10 0 CEAERO C[NH2+]C[C@H](CCS(C)(=O)=O)Cc1cccc(Cl)c1 ZINC000052977591 522074812 /nfs/dbraw/zinc/07/48/12/522074812.db2.gz RWGSSMQHMANCQE-GFCCVEGCSA-N 1 0 289.828 2.153 10 0 CEAERO C[NH2+]C[C@H](OC[C@@H]1CCCO1)c1ccccc1OC ZINC000050494637 522075732 /nfs/dbraw/zinc/07/57/32/522075732.db2.gz IXZCSCPLBOACFL-WFASDCNBSA-N 1 0 265.353 2.151 10 0 CEAERO CC[C@@H](C)N(CCOC)c1ncc([C@@H](C)[NH3+])s1 ZINC000054898052 522095102 /nfs/dbraw/zinc/09/51/02/522095102.db2.gz QXZVDWYFKVSOOV-NXEZZACHSA-N 1 0 257.403 2.414 10 0 CEAERO C[NH2+]C[C@H]1CC[C@H](CN(C)c2cccc(F)c2)O1 ZINC000052544553 522095327 /nfs/dbraw/zinc/09/53/27/522095327.db2.gz ICEXWKJJVNFAIM-ZIAGYGMSSA-N 1 0 252.333 2.029 10 0 CEAERO C[NH2+]Cc1cc(Cn2cc(Br)cn2)oc1C ZINC000052577435 522111784 /nfs/dbraw/zinc/11/17/84/522111784.db2.gz YDEKRASCVGCFGZ-UHFFFAOYSA-N 1 0 284.157 2.315 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(Cc2ccc(OC)c(N)c2)CC1 ZINC000055063395 522127216 /nfs/dbraw/zinc/12/72/16/522127216.db2.gz ZWCWPMWYOFDPCZ-CYBMUJFWSA-N 1 0 277.412 2.194 10 0 CEAERO C[NH2+]Cc1cccc(OCCN2CCO[C@H]3CCC[C@@H]32)c1 ZINC000052540243 522133633 /nfs/dbraw/zinc/13/36/33/522133633.db2.gz KCFHTHUBUPQJIX-IRXDYDNUSA-N 1 0 290.407 2.038 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(c2nc3c(s2)[C@H](O)CCC3)CC1 ZINC000055076422 522136364 /nfs/dbraw/zinc/13/63/64/522136364.db2.gz JMGSGBQBQWHWIM-DGCLKSJQSA-N 1 0 295.452 2.433 10 0 CEAERO C[NH2+]Cc1cccnc1N1CCc2ccccc2C1 ZINC000051434248 522140444 /nfs/dbraw/zinc/14/04/44/522140444.db2.gz BMZXDSLHNDHRBJ-UHFFFAOYSA-N 1 0 253.349 2.364 10 0 CEAERO C[NH2+]Cc1cnn([C@H]2CCC[C@@H]2O)c1-c1ccccc1 ZINC000054599540 522147905 /nfs/dbraw/zinc/14/79/05/522147905.db2.gz HYPPWUMBJOLRRD-GJZGRUSLSA-N 1 0 271.364 2.355 10 0 CEAERO CC[C@H](C[NH2+]C(C)C)Cc1nnnn1-c1ccccc1 ZINC000052973734 522189373 /nfs/dbraw/zinc/18/93/73/522189373.db2.gz ZHGCGGOPYGDFOK-ZDUSSCGKSA-N 1 0 273.384 2.229 10 0 CEAERO COC[C@@H](C)N(C)c1ccc(C(N)=[NH2+])c(C(F)(F)F)c1 ZINC000049029227 522222676 /nfs/dbraw/zinc/22/26/76/522222676.db2.gz SEZJUKVIIWIRIL-MRVPVSSYSA-N 1 0 289.301 2.461 10 0 CEAERO C[NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1C(F)(F)F ZINC000054073134 522320515 /nfs/dbraw/zinc/32/05/15/522320515.db2.gz FFNBNGQCPKZIIK-ZETCQYMHSA-N 1 0 276.258 2.260 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(NC(=O)NC[C@H]2CCOC2)cc1 ZINC000061148540 522331534 /nfs/dbraw/zinc/33/15/34/522331534.db2.gz LDMUGPUTMKCYKN-NWDGAFQWSA-N 1 0 277.368 2.125 10 0 CEAERO CC[C@H]([NH3+])Cc1cc(OC)ccc1O[C@@H]1CCOC1 ZINC000070072629 522332500 /nfs/dbraw/zinc/33/25/00/522332500.db2.gz NOWMHUDAAYEMBV-GXTWGEPZSA-N 1 0 265.353 2.143 10 0 CEAERO C[NH2+][C@@H](C)c1ccccc1NC(=O)C1CCOCC1 ZINC000061671105 522336417 /nfs/dbraw/zinc/33/64/17/522336417.db2.gz UJJNGFQIAASEKP-NSHDSACASA-N 1 0 262.353 2.332 10 0 CEAERO CC[C@H]([NH3+])Cc1nccn1Cc1ccc(F)cc1F ZINC000062803133 522336907 /nfs/dbraw/zinc/33/69/07/522336907.db2.gz GHCWZMROJVIEJE-LBPRGKRZSA-N 1 0 265.307 2.489 10 0 CEAERO C[NH2+][C@@H](C)c1cccc(NC(=O)[C@H]2CCCCO2)c1 ZINC000050959784 522337859 /nfs/dbraw/zinc/33/78/59/522337859.db2.gz GZSRHOANSFCMHE-SMDDNHRTSA-N 1 0 262.353 2.475 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccccc1Cl)N1CC[C@H](O)C1 ZINC000061710009 522340302 /nfs/dbraw/zinc/34/03/02/522340302.db2.gz KSMUXKNBYBOBQZ-LEWSCRJBSA-N 1 0 268.788 2.185 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1cnn(C)c1)N1Cc2ccccc2C1 ZINC000050910105 522341687 /nfs/dbraw/zinc/34/16/87/522341687.db2.gz POFCEXVZEBCJMZ-JKSUJKDBSA-N 1 0 270.380 2.214 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccco1)N1CCC[C@@H]1CCCO ZINC000052757412 522343646 /nfs/dbraw/zinc/34/36/46/522343646.db2.gz QHKJBFGIVYYVLU-VNHYZAJKSA-N 1 0 266.385 2.295 10 0 CEAERO C[NH2+][C@@H](CCOc1cc(C)ccc1C(C)(C)C)C(N)=O ZINC000062542351 522347040 /nfs/dbraw/zinc/34/70/40/522347040.db2.gz JQIVCVWFQVECBW-ZDUSSCGKSA-N 1 0 278.396 2.135 10 0 CEAERO CC[C@@H](C)[C@H](C)NC(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000051112896 522360460 /nfs/dbraw/zinc/36/04/60/522360460.db2.gz WSDCDJMVKLHXLW-SFYZADRCSA-N 1 0 270.764 2.185 10 0 CEAERO COc1cc(C[NH3+])cc(Cl)c1OCCCCCO ZINC000051019615 522362781 /nfs/dbraw/zinc/36/27/81/522362781.db2.gz LGWIVPHBJGGRBF-UHFFFAOYSA-N 1 0 273.760 2.349 10 0 CEAERO C[NH2+][C@@H](c1cnccn1)C1(c2ccccc2)CCOCC1 ZINC000069499933 522374285 /nfs/dbraw/zinc/37/42/85/522374285.db2.gz BUMIQSQOHYEYOE-INIZCTEOSA-N 1 0 283.375 2.486 10 0 CEAERO C[NH2+][C@@H]1CCOC[C@H]1n1cc(-c2ccccc2)cn1 ZINC000054961138 522395121 /nfs/dbraw/zinc/39/51/21/522395121.db2.gz MQLXJRYQYJPOHN-HUUCEWRRSA-N 1 0 257.337 2.100 10 0 CEAERO C[NH2+][C@@H]1CCc2c1cccc2OCCn1ccnc1C ZINC000062798909 522397196 /nfs/dbraw/zinc/39/71/96/522397196.db2.gz MROPXUNOMNQUII-OAHLLOKOSA-N 1 0 271.364 2.477 10 0 CEAERO COC(=O)c1occc1CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063190066 522410146 /nfs/dbraw/zinc/41/01/46/522410146.db2.gz KNQQHXDPXPYEAE-UONOGXRCSA-N 1 0 292.379 2.173 10 0 CEAERO C[NH2+][C@@](C)(CCCSc1ccc(F)c(F)c1)C(N)=O ZINC000045551106 522410598 /nfs/dbraw/zinc/41/05/98/522410598.db2.gz HIQBQXOJFIHITF-ZDUSSCGKSA-N 1 0 288.363 2.301 10 0 CEAERO COC[C@@H](O)COc1ccc(Cl)cc1C[NH2+]C(C)C ZINC000069053452 522428212 /nfs/dbraw/zinc/42/82/12/522428212.db2.gz YOGUGGSUWAEOBJ-CYBMUJFWSA-N 1 0 287.787 2.224 10 0 CEAERO C[NH2+][C@H](CS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000061702545 522470680 /nfs/dbraw/zinc/47/06/80/522470680.db2.gz MVALPMKFWWFGPS-OAHLLOKOSA-N 1 0 275.373 2.421 10 0 CEAERO C[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1COCCO1 ZINC000055299278 522480726 /nfs/dbraw/zinc/48/07/26/522480726.db2.gz GTYOVWRTJJAFCD-NWDGAFQWSA-N 1 0 286.169 2.125 10 0 CEAERO CC[C@@H](CC1CC1)NC(=O)[C@]1(CC)CCC[NH2+]C1 ZINC000070104058 522491246 /nfs/dbraw/zinc/49/12/46/522491246.db2.gz KBOBLPOBACRWDB-DZGCQCFKSA-N 1 0 252.402 2.461 10 0 CEAERO CC[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(C)C ZINC000049146938 522504963 /nfs/dbraw/zinc/50/49/63/522504963.db2.gz PDSNALIAAVXQTH-GJZGRUSLSA-N 1 0 260.381 2.252 10 0 CEAERO COC[C@@](C)(C[NH3+])N(C)Cc1ccc(Cl)s1 ZINC000053198410 522525282 /nfs/dbraw/zinc/52/52/82/522525282.db2.gz PHRXONYHCHHVIW-LLVKDONJSA-N 1 0 262.806 2.197 10 0 CEAERO C[NH2+][C@](CSc1ccc2c(c1)CCC2)(C(N)=O)C1CC1 ZINC000069188150 522533184 /nfs/dbraw/zinc/53/31/84/522533184.db2.gz PYVXZUNGYUZKAW-INIZCTEOSA-N 1 0 290.432 2.121 10 0 CEAERO CC[C@H]([NH2+]C)c1c(C)nn(C[C@@H]2CCCO2)c1C ZINC000054718554 522556505 /nfs/dbraw/zinc/55/65/05/522556505.db2.gz YIUDIICSLFKOLV-STQMWFEESA-N 1 0 251.374 2.349 10 0 CEAERO CN(CC(F)(F)F)c1ncc(C[NH2+]C2CC2)s1 ZINC000054905054 522578474 /nfs/dbraw/zinc/57/84/74/522578474.db2.gz HRTMGGSNAGPUHM-UHFFFAOYSA-N 1 0 265.304 2.394 10 0 CEAERO CC[C@H]([NH2+]CCc1ccc(Cl)cc1Cl)C(N)=O ZINC000061676430 522601115 /nfs/dbraw/zinc/60/11/15/522601115.db2.gz GWCNVEVPAWPEJA-NSHDSACASA-N 1 0 275.179 2.389 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccc(OC)cc1OCc1ncccn1 ZINC000054461878 522642481 /nfs/dbraw/zinc/64/24/81/522642481.db2.gz URCDPVHIHGGFCT-CYBMUJFWSA-N 1 0 287.363 2.344 10 0 CEAERO CC[C@@H]([NH3+])Cc1cnc(Cc2nc(C)cs2)nc1 ZINC000055270035 522644555 /nfs/dbraw/zinc/64/45/55/522644555.db2.gz QGXWHPGLQHLSGH-LLVKDONJSA-N 1 0 262.382 2.112 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccnc(-c2ccccc2OC)n1 ZINC000054834937 522644967 /nfs/dbraw/zinc/64/49/67/522644967.db2.gz ROMWHJZNYZSQRM-LLVKDONJSA-N 1 0 257.337 2.432 10 0 CEAERO CC[C@H](NS(=O)(=O)C[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000052344063 522677536 /nfs/dbraw/zinc/67/75/36/522677536.db2.gz CXLGQTWRUBEHEK-KBPBESRZSA-N 1 0 288.457 2.017 10 0 CEAERO CN(CCCOCC(F)(F)F)c1cc[nH+]cc1N ZINC000049312637 522779788 /nfs/dbraw/zinc/77/97/88/522779788.db2.gz GAGFKVFQYXRKKH-UHFFFAOYSA-N 1 0 263.263 2.069 10 0 CEAERO CC[C@@H]([NH2+]C)c1cnn(CCOCC(F)(F)F)c1 ZINC000054722199 522806494 /nfs/dbraw/zinc/80/64/94/522806494.db2.gz IJEWFKUSVMAYHO-SNVBAGLBSA-N 1 0 265.279 2.133 10 0 CEAERO CN(CC[NH2+]CCc1cccs1)Cc1ccccn1 ZINC000053383128 522867428 /nfs/dbraw/zinc/86/74/28/522867428.db2.gz DLOHHTOJKUOHNY-UHFFFAOYSA-N 1 0 275.421 2.407 10 0 CEAERO CC[C@H](Oc1cccc(C[NH2+]C(C)(C)C)c1)C(N)=O ZINC000062731379 522883018 /nfs/dbraw/zinc/88/30/18/522883018.db2.gz UDDRFABTJNESDG-ZDUSSCGKSA-N 1 0 264.369 2.217 10 0 CEAERO CC[C@@H]([NH2+][C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000052336367 522926484 /nfs/dbraw/zinc/92/64/84/522926484.db2.gz DHYUTBNQFCCBBG-CHWSQXEVSA-N 1 0 259.415 2.122 10 0 CEAERO CC[C@@H](O)COc1cc2c(cc1C[NH2+]C(C)(C)C)OCO2 ZINC000062733889 523007895 /nfs/dbraw/zinc/00/78/95/523007895.db2.gz BOUNUKWPBVDADD-GFCCVEGCSA-N 1 0 295.379 2.453 10 0 CEAERO COc1cc2c(cc1F)[nH+]c(N)n2CCSC ZINC000069444207 523018276 /nfs/dbraw/zinc/01/82/76/523018276.db2.gz DIHUZZWGMKHAMZ-UHFFFAOYSA-N 1 0 255.318 2.129 10 0 CEAERO CC[C@@H](Oc1ccc(Cl)cc1C[NH2+]C(C)C)C(N)=O ZINC000061675741 523041204 /nfs/dbraw/zinc/04/12/04/523041204.db2.gz SWHDXHZBGPUHCK-GFCCVEGCSA-N 1 0 284.787 2.481 10 0 CEAERO C[N@H+](C[C@@](NC1CC1)(C(N)=O)C1CC1)C1CCCCCC1 ZINC000069100553 523088227 /nfs/dbraw/zinc/08/82/27/523088227.db2.gz WXOIUQKXBYLFPI-KRWDZBQOSA-N 1 0 293.455 2.027 10 0 CEAERO COC(=O)CCOc1cc(C[NH2+]C(C)C)ccc1OC ZINC000069316992 523104315 /nfs/dbraw/zinc/10/43/15/523104315.db2.gz ZTIOBPDEXYYAPN-UHFFFAOYSA-N 1 0 281.352 2.135 10 0 CEAERO CC[C@H]1CCC[C@@H](NC(=O)c2cnn(CCC[NH3+])c2C)C1 ZINC000068599385 523118925 /nfs/dbraw/zinc/11/89/25/523118925.db2.gz AYPYPULJTCHDCO-UONOGXRCSA-N 1 0 292.427 2.239 10 0 CEAERO COCc1ccccc1NC(=O)[C@@H]1[NH2+]CCC[C@@H]1C ZINC000051793801 523120461 /nfs/dbraw/zinc/12/04/61/523120461.db2.gz SWLPVTFJJUDAHY-SMDDNHRTSA-N 1 0 262.353 2.160 10 0 CEAERO COCc1ccccc1NC(=O)[C@@H]1CCC[C@@H](C)[NH2+]1 ZINC000049512013 523120521 /nfs/dbraw/zinc/12/05/21/523120521.db2.gz GSUHVKSIATXVNM-RISCZKNCSA-N 1 0 262.353 2.302 10 0 CEAERO C[N@H+](C[C@](C)(O)c1ccccc1)[C@@H]1CCSC1 ZINC000052096888 523150118 /nfs/dbraw/zinc/15/01/18/523150118.db2.gz ZTDOHPUAUBYJCQ-KGLIPLIRSA-N 1 0 251.395 2.331 10 0 CEAERO CC[C@@H]1CCCCN1c1c(C[NH2+]CCOC)c(C)nn1C ZINC000062735182 523177940 /nfs/dbraw/zinc/17/79/40/523177940.db2.gz YLBAFGODKGZFSB-CQSZACIVSA-N 1 0 294.443 2.233 10 0 CEAERO COCCCN(CCOC)c1cc(Cl)ccc1C(N)=[NH2+] ZINC000062788910 523257712 /nfs/dbraw/zinc/25/77/12/523257712.db2.gz HFXIDQWAJUNTPR-UHFFFAOYSA-N 1 0 299.802 2.113 10 0 CEAERO CC[C@@H]1CCCN1C(=O)c1cccn1C1CC[NH2+]CC1 ZINC000054443456 523264741 /nfs/dbraw/zinc/26/47/41/523264741.db2.gz QPFZJBBIBMBLAO-CYBMUJFWSA-N 1 0 275.396 2.427 10 0 CEAERO CC[C@@H]1CCC[N@@H+]1C[C@](NC(C)C)(C(=O)OC)C1CC1 ZINC000069088310 523267731 /nfs/dbraw/zinc/26/77/31/523267731.db2.gz GWPGOLCKPZPUSC-GDBMZVCRSA-N 1 0 282.428 2.181 10 0 CEAERO COC(=O)C[C@@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000062052663 523268184 /nfs/dbraw/zinc/26/81/84/523268184.db2.gz CALRQEWUUSHBNH-WDEREUQCSA-N 1 0 253.317 2.298 10 0 CEAERO CCn1c2ccc([C@@H]([NH2+]C)[C@H]3CCCOC3)cc2oc1=O ZINC000062234958 523271441 /nfs/dbraw/zinc/27/14/41/523271441.db2.gz DLKXPFWAHQNMIC-SWLSCSKDSA-N 1 0 290.363 2.302 10 0 CEAERO CC[C@H]1CO[C@@H](C)CN1Cc1cc(C[NH3+])c(C)o1 ZINC000052570960 523342622 /nfs/dbraw/zinc/34/26/22/523342622.db2.gz WEAPWMZFXXWEQD-GWCFXTLKSA-N 1 0 252.358 2.046 10 0 CEAERO C[N@H+](Cc1ccccc1F)CC1(CO)CCOCC1 ZINC000052199750 523370609 /nfs/dbraw/zinc/37/06/09/523370609.db2.gz DGYPUPMZJBYFGV-UHFFFAOYSA-N 1 0 267.344 2.047 10 0 CEAERO COCCC[NH2+]C[C@@H](C)OCc1ccccc1F ZINC000069287074 523374386 /nfs/dbraw/zinc/37/43/86/523374386.db2.gz USSCPAWUGLZJBW-GFCCVEGCSA-N 1 0 255.333 2.357 10 0 CEAERO CC[C@H]1C[C@H]([NH2+]CCCOC[C@@H]2CCCO2)CCO1 ZINC000070346945 523404871 /nfs/dbraw/zinc/40/48/71/523404871.db2.gz ZAKPHCXIGALKMX-ILXRZTDVSA-N 1 0 271.401 2.119 10 0 CEAERO CN(Cc1ccsc1)C(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000051128471 523483491 /nfs/dbraw/zinc/48/34/91/523483491.db2.gz JUMUEBXJCOYTGK-UHFFFAOYSA-N 1 0 296.783 2.354 10 0 CEAERO CC[C@]1(C(=O)N2CCC[C@@H]2c2cccnc2)CC[NH2+]C1 ZINC000062891082 523534835 /nfs/dbraw/zinc/53/48/35/523534835.db2.gz FOEDTQUEXPBYBN-ZBFHGGJFSA-N 1 0 273.380 2.135 10 0 CEAERO CCn1ccnc1[C@@H]([NH3+])c1ccc2ncccc2c1 ZINC000061418611 523553048 /nfs/dbraw/zinc/55/30/48/523553048.db2.gz JZDQDZOPAUFZGQ-AWEZNQCLSA-N 1 0 252.321 2.499 10 0 CEAERO CO[C@@H]1CCC[C@@H](OC(=O)CC[C@@H]2CCCC[NH2+]2)C1 ZINC000070323607 523616944 /nfs/dbraw/zinc/61/69/44/523616944.db2.gz FSQOLRKQSHPWPA-BFHYXJOUSA-N 1 0 269.385 2.410 10 0 CEAERO CN(c1ccc(C(N)=O)cc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000062791332 523636990 /nfs/dbraw/zinc/63/69/90/523636990.db2.gz SRHRZOJFLMFVAZ-FOSCPWQOSA-N 1 0 293.798 2.158 10 0 CEAERO CC[C@@](C)(CCS(=O)(=O)CC)C[NH2+]CC(C)C ZINC000054661740 523636968 /nfs/dbraw/zinc/63/69/68/523636968.db2.gz YLWQDKVXZXKWRD-ZDUSSCGKSA-N 1 0 263.447 2.473 10 0 CEAERO CN(c1cccc(C[NH3+])c1)S(=O)(=O)Cc1ccccc1 ZINC000061950463 523644905 /nfs/dbraw/zinc/64/49/05/523644905.db2.gz XJZJETWLFIXCHM-UHFFFAOYSA-N 1 0 290.388 2.112 10 0 CEAERO CN(c1cccc(Cl)c1C(N)=[NH2+])C1CCOCC1 ZINC000052905121 523647470 /nfs/dbraw/zinc/64/74/70/523647470.db2.gz XVUMBSLKGBMYES-UHFFFAOYSA-N 1 0 267.760 2.239 10 0 CEAERO COCCN(CC(C)C)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000069266368 523682104 /nfs/dbraw/zinc/68/21/04/523682104.db2.gz XKPHBVNXLUZLDD-MRXNPFEDSA-N 1 0 262.397 2.435 10 0 CEAERO CC[C@@](C[NH3+])(CCS(=O)(=O)CC)c1ccccc1 ZINC000054636826 523683014 /nfs/dbraw/zinc/68/30/14/523683014.db2.gz NKBNCZPQENYMMQ-AWEZNQCLSA-N 1 0 269.410 2.118 10 0 CEAERO CC[C@@]1(C(=O)N2CCC[C@@H]2c2ccc[nH]2)CC[NH2+]C1 ZINC000062896002 523691299 /nfs/dbraw/zinc/69/12/99/523691299.db2.gz OYBUUPZWXWDSNM-UKRRQHHQSA-N 1 0 261.369 2.068 10 0 CEAERO CCc1c(C)nn(Cc2[nH+]c(NN)ccc2Cl)c1C ZINC000061639385 523716028 /nfs/dbraw/zinc/71/60/28/523716028.db2.gz UGHKJLZEIJZFHA-UHFFFAOYSA-N 1 0 279.775 2.445 10 0 CEAERO COCCN(CCOC)Cc1cc(C[NH2+]CC(C)C)co1 ZINC000052571450 523718887 /nfs/dbraw/zinc/71/88/87/523718887.db2.gz TUWOTWUVIBNSCU-UHFFFAOYSA-N 1 0 298.427 2.120 10 0 CEAERO COCC[N@@H+](Cc1nc(N)ccc1Cl)CC(C)C ZINC000061638235 523774821 /nfs/dbraw/zinc/77/48/21/523774821.db2.gz GAPOESGALJZSSU-UHFFFAOYSA-N 1 0 271.792 2.422 10 0 CEAERO COC(=O)[C@@](C)(CC[N@@H+]1CCCC(C)(C)C1)NC(C)C ZINC000069517084 523814550 /nfs/dbraw/zinc/81/45/50/523814550.db2.gz KVAPKMXJJMIYMW-MRXNPFEDSA-N 1 0 284.444 2.428 10 0 CEAERO CCc1cc(NN)[nH+]c(-c2cnn(-c3ccccc3)c2)n1 ZINC000051168735 523824266 /nfs/dbraw/zinc/82/42/66/523824266.db2.gz RZDCYNYIYGAIAE-UHFFFAOYSA-N 1 0 280.335 2.177 10 0 CEAERO COc1ccc(C)cc1[C@](C)(O)C[NH2+]CC(C)C ZINC000055033406 523860693 /nfs/dbraw/zinc/86/06/93/523860693.db2.gz GOUHECGIWYMCAU-OAHLLOKOSA-N 1 0 251.370 2.457 10 0 CEAERO CN(C(=O)Nc1ccc(F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000226459798 523885263 /nfs/dbraw/zinc/88/52/63/523885263.db2.gz ZROUNJODRPKNBR-ZDUSSCGKSA-N 1 0 265.332 2.432 10 0 CEAERO CN(C(=O)c1cccc2c1CCCN2)[C@@H]1CCC[N@H+](C)C1 ZINC000061413079 523945611 /nfs/dbraw/zinc/94/56/11/523945611.db2.gz DBFRZLBBUUDCGQ-CYBMUJFWSA-N 1 0 287.407 2.211 10 0 CEAERO CC[C@H](C)N1CCN(C(=[NH2+])NC2CCCCC2)CC1 ZINC000055083321 523947468 /nfs/dbraw/zinc/94/74/68/523947468.db2.gz LPMLMBAEUIZTLK-ZDUSSCGKSA-N 1 0 266.433 2.260 10 0 CEAERO CC[C@H](C)[NH+]1CCN(C(=O)C(CC)(CC)C(N)=S)CC1 ZINC000055080373 523948086 /nfs/dbraw/zinc/94/80/86/523948086.db2.gz GXKKBUGUAWCGNZ-LBPRGKRZSA-N 1 0 299.484 2.022 10 0 CEAERO CC[C@H](C)[NH+]1CCN(Cc2cc(N)ccc2OC)CC1 ZINC000055063387 523956832 /nfs/dbraw/zinc/95/68/32/523956832.db2.gz WSZVYCGGKHBIJR-ZDUSSCGKSA-N 1 0 277.412 2.194 10 0 CEAERO CN1CC[C@@H]([NH2+]CCOc2ccc(Br)cc2)C1 ZINC000049596118 523967595 /nfs/dbraw/zinc/96/75/95/523967595.db2.gz RKWCBOWUVIFMHU-GFCCVEGCSA-N 1 0 299.212 2.122 10 0 CEAERO CC[C@H](C)NC(=O)N1CC[NH+](CC(C)(C)C)CC1 ZINC000062455784 523977819 /nfs/dbraw/zinc/97/78/19/523977819.db2.gz XKODGCZEXRIQOZ-LBPRGKRZSA-N 1 0 255.406 2.158 10 0 CEAERO COC(=O)[C@](C)(C[C@@H](C)[N@H+](CC1CC1)C1CC1)NC1CC1 ZINC000068648311 523999665 /nfs/dbraw/zinc/99/96/65/523999665.db2.gz XWALDXYGTLORKZ-PXAZEXFGSA-N 1 0 294.439 2.323 10 0 CEAERO COC(=O)[C@](C)(C[C@H](C)[N@H+](C)CC1CCC1)NC(C)C ZINC000068642733 523999870 /nfs/dbraw/zinc/99/98/70/523999870.db2.gz IFTBHDKYJDSACO-BBRMVZONSA-N 1 0 284.444 2.427 10 0 CEAERO COC(=O)[C@](C)(N)C[C@H](C)[NH+]1CCC2(CCCC2)CC1 ZINC000068645437 524002170 /nfs/dbraw/zinc/00/21/70/524002170.db2.gz SKUFCFJDBCFLJN-DZGCQCFKSA-N 1 0 282.428 2.312 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)Nc1ccccc1[C@H](C)O ZINC000049547472 524003259 /nfs/dbraw/zinc/00/32/59/524003259.db2.gz ISLBMGQMFUFLGA-QWRGUYRKSA-N 1 0 250.342 2.067 10 0 CEAERO CC[C@H](C)[NH2+][C@@H](C(N)=O)c1cc(F)c(F)c(F)c1 ZINC000062712725 524006329 /nfs/dbraw/zinc/00/63/29/524006329.db2.gz PYWUULRUNZKZDK-UPONEAKYSA-N 1 0 260.259 2.018 10 0 CEAERO COc1ccc(CN(C)[C@@]2(C[NH3+])CCCSC2)cc1 ZINC000061590132 524009991 /nfs/dbraw/zinc/00/99/91/524009991.db2.gz VQBVWRJWXOWKMC-OAHLLOKOSA-N 1 0 280.437 2.352 10 0 CEAERO CCc1ccc([C@@H](Cn2nc(C)ccc2=O)[NH2+]C)cc1 ZINC000061810263 524032055 /nfs/dbraw/zinc/03/20/55/524032055.db2.gz KAERPOWGXKJCKW-OAHLLOKOSA-N 1 0 271.364 2.075 10 0 CEAERO COc1ccc(CN2CC[NH2+]C3(CCCC3)C2)cc1OC ZINC000068693291 524034640 /nfs/dbraw/zinc/03/46/40/524034640.db2.gz RHVKNSGMGUXGBL-UHFFFAOYSA-N 1 0 290.407 2.422 10 0 CEAERO COc1ccc(CN2CC[NH2+]C[C@H]2C(C)C)cc1OC ZINC000068695810 524035003 /nfs/dbraw/zinc/03/50/03/524035003.db2.gz RLSTVULUGAGWSW-AWEZNQCLSA-N 1 0 278.396 2.134 10 0 CEAERO C[NH+](C)C1CC[NH+]([C@H]2CCCCC[C@H]2C(=O)[O-])CC1 ZINC000062752133 524040847 /nfs/dbraw/zinc/04/08/47/524040847.db2.gz XSQFUUWIDDNPNO-KGLIPLIRSA-N 1 0 268.401 2.046 10 0 CEAERO C[NH+](C)CC1CC[NH+]([C@@H]2CCCCC[C@@H]2C(=O)[O-])CC1 ZINC000062754208 524049637 /nfs/dbraw/zinc/04/96/37/524049637.db2.gz IYWAHQCTZKMYOO-LSDHHAIUSA-N 1 0 282.428 2.294 10 0 CEAERO C[NH+](C)CCCNc1ccc(Cl)cc1C(N)=S ZINC000052857761 524057268 /nfs/dbraw/zinc/05/72/68/524057268.db2.gz LNAFBVJMPDIKOE-UHFFFAOYSA-N 1 0 271.817 2.338 10 0 CEAERO COc1ccc(C[NH2+]CC(C)C)c(OCc2ncon2)c1 ZINC000062733229 524069074 /nfs/dbraw/zinc/06/90/74/524069074.db2.gz TUUPNBSGWINTOH-UHFFFAOYSA-N 1 0 291.351 2.403 10 0 CEAERO COc1ccc(C[NH2+][C@@H](C)CN2CCCC2)cc1F ZINC000048557802 524074310 /nfs/dbraw/zinc/07/43/10/524074310.db2.gz RICSIXMPTQCUPD-LBPRGKRZSA-N 1 0 266.360 2.408 10 0 CEAERO Cc1ccc2oc(C(=O)N[C@H]3CCC[C@@H]3[NH3+])cc2c1 ZINC000063171895 524091252 /nfs/dbraw/zinc/09/12/52/524091252.db2.gz LQVZKWRNAAFLGH-RYUDHWBXSA-N 1 0 258.321 2.351 10 0 CEAERO COc1cccc([C@@H](O)[C@H]2CCCCC[NH2+]2)c1OC ZINC000070319355 524105848 /nfs/dbraw/zinc/10/58/48/524105848.db2.gz OTUUPQQVSCGCTP-TZMCWYRMSA-N 1 0 265.353 2.269 10 0 CEAERO COc1ccc(COC2CCC([NH3+])CC2)cc1OC ZINC000055143036 524110924 /nfs/dbraw/zinc/11/09/24/524110924.db2.gz VMASWOUCDPBQJN-UHFFFAOYSA-N 1 0 265.353 2.490 10 0 CEAERO C[C@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)NCC1CCCCC1 ZINC000055127193 524144204 /nfs/dbraw/zinc/14/42/04/524144204.db2.gz IQAHPNKTMQIUKI-IACUBPJLSA-N 1 0 252.402 2.446 10 0 CEAERO C[C@H](CC[NH3+])N(C)c1ccc(Br)cn1 ZINC000063086580 524172136 /nfs/dbraw/zinc/17/21/36/524172136.db2.gz SSMDGFOGXPHUME-MRVPVSSYSA-N 1 0 258.163 2.018 10 0 CEAERO C[C@H](CC[NH3+])N(C)c1ncccc1Br ZINC000063086476 524172380 /nfs/dbraw/zinc/17/23/80/524172380.db2.gz NPXVHRCXFXWKHA-MRVPVSSYSA-N 1 0 258.163 2.018 10 0 CEAERO COc1ccc(Cl)c(NC(=O)CC[C@@H](C)[NH3+])c1 ZINC000070317829 524180828 /nfs/dbraw/zinc/18/08/28/524180828.db2.gz NGMBIGZBUDQMTD-MRVPVSSYSA-N 1 0 256.733 2.415 10 0 CEAERO C[C@H]1CCC[C@H](CNC(=O)c2ccc(F)cc2F)[NH2+]1 ZINC000051572990 524198986 /nfs/dbraw/zinc/19/89/86/524198986.db2.gz VODDDRFQQUSGJQ-GXSJLCMTSA-N 1 0 268.307 2.225 10 0 CEAERO C[C@@H](C(=O)N[C@@H](C)c1ccc(Cl)s1)C1C[NH2+]C1 ZINC000163991419 524222609 /nfs/dbraw/zinc/22/26/09/524222609.db2.gz GCLYXKATTCZWQT-SFYZADRCSA-N 1 0 272.801 2.434 10 0 CEAERO C[C@H]1CCN(C(=O)CCc2c[nH]c3ccccc23)C[C@H]1[NH3+] ZINC000070145510 524237511 /nfs/dbraw/zinc/23/75/11/524237511.db2.gz VGMKUDLWWMOHND-SWLSCSKDSA-N 1 0 285.391 2.296 10 0 CEAERO Cc1cc(C)c(C(=O)[O-])c(NCCC[NH+]2CCCC2)[nH+]1 ZINC000058733103 524242695 /nfs/dbraw/zinc/24/26/95/524242695.db2.gz ABXAZYDSLREBNE-UHFFFAOYSA-N 1 0 277.368 2.294 10 0 CEAERO Cc1ccc(CC(=O)N2[C@H](C)C[NH2+]C[C@H]2C)cc1C ZINC000069132644 524259988 /nfs/dbraw/zinc/25/99/88/524259988.db2.gz WUFXLABGPHTXRY-ZIAGYGMSSA-N 1 0 260.381 2.055 10 0 CEAERO Cc1ccc(CC(=O)NC[C@@H]2CC[C@H](C)[NH2+]C2)cc1C ZINC000062037166 524263249 /nfs/dbraw/zinc/26/32/49/524263249.db2.gz FADJTJUGRITGTR-GOEBONIOSA-N 1 0 274.408 2.350 10 0 CEAERO COc1ccc(F)cc1CN1CC[C@H](C)[C@@H]([NH3+])C1 ZINC000070147553 524309683 /nfs/dbraw/zinc/30/96/83/524309683.db2.gz SHQWFNQDRVXKAX-GWCFXTLKSA-N 1 0 252.333 2.003 10 0 CEAERO C[C@H](C[NH+]1CCCC1)NC(=O)c1cc(Cl)ccc1N ZINC000049149118 524314440 /nfs/dbraw/zinc/31/44/40/524314440.db2.gz NHAXXCVXJLUWNI-SNVBAGLBSA-N 1 0 281.787 2.136 10 0 CEAERO C[C@H](CN1CCCC1)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000049150597 524315987 /nfs/dbraw/zinc/31/59/87/524315987.db2.gz BJFZEHLEJZOFSP-OAHLLOKOSA-N 1 0 288.439 2.124 10 0 CEAERO Cc1cccc(C)c1OC[C@@]([NH2+]C1CC1)(C(N)=O)C1CC1 ZINC000069196925 524318978 /nfs/dbraw/zinc/31/89/78/524318978.db2.gz CXACUHJXJDHGLF-KRWDZBQOSA-N 1 0 288.391 2.068 10 0 CEAERO C[C@H](C[NH+]1CCCC1)N1C(=S)N=NC1C1CC1 ZINC000049184520 524322130 /nfs/dbraw/zinc/32/21/30/524322130.db2.gz XCOGLKVOYDBUOP-SECBINFHSA-N 1 0 252.387 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BPUDOERNDCLXNU-UHFFFAOYSA-N 1 0 272.352 2.008 10 0 CEAERO COc1ccccc1CN(C)Cc1ccnc(C(N)=[NH2+])c1 ZINC000068761348 524438419 /nfs/dbraw/zinc/43/84/19/524438419.db2.gz FZRZNBVATSSRGT-UHFFFAOYSA-N 1 0 284.363 2.006 10 0 CEAERO Cc1cc(C)cc(OC[C@]([NH2+]C(C)C)(C(N)=O)C2CC2)c1 ZINC000069197374 524452711 /nfs/dbraw/zinc/45/27/11/524452711.db2.gz JUSZIOAQQJWQNN-QGZVFWFLSA-N 1 0 290.407 2.314 10 0 CEAERO Cc1cc(C)cc(OC[C@@]([NH2+]C2CC2)(C(N)=O)C2CC2)c1 ZINC000069197373 524453667 /nfs/dbraw/zinc/45/36/67/524453667.db2.gz IKCFWCDUAOYZPJ-KRWDZBQOSA-N 1 0 288.391 2.068 10 0 CEAERO C[C@H](C[NH2+]C(C)(C)C)Oc1cccc(S(C)(=O)=O)c1 ZINC000052701408 524478312 /nfs/dbraw/zinc/47/83/12/524478312.db2.gz SZJSYHNXTOPIKM-LLVKDONJSA-N 1 0 285.409 2.246 10 0 CEAERO COc1ccccc1N(C)C(=O)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000049973040 524524507 /nfs/dbraw/zinc/52/45/07/524524507.db2.gz NCMZTYMGQNSVCN-VXGBXAGGSA-N 1 0 262.353 2.046 10 0 CEAERO Cc1cc(C)n(C[C@H]2CC[C@@H](C[NH2+]C(C)(C)C)O2)n1 ZINC000052575931 524534984 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268.307 2.142 10 0 CEAERO C[C@@H]1C[C@@H](C)CN(Cc2[nH+]c(NN)ccc2Cl)C1 ZINC000061638876 525213031 /nfs/dbraw/zinc/21/30/31/525213031.db2.gz VKTMUVDAFBDEHU-NXEZZACHSA-N 1 0 268.792 2.499 10 0 CEAERO Cc1ccccc1NC(=O)C[NH2+][C@H](C)CN1CCCCC1 ZINC000049501872 525237914 /nfs/dbraw/zinc/23/79/14/525237914.db2.gz CRSUXYJRBVFRLL-OAHLLOKOSA-N 1 0 289.423 2.398 10 0 CEAERO CS(=O)(=O)c1ccc(OCCC[C@@H]2CCC[NH2+]2)cc1 ZINC000052765144 525262669 /nfs/dbraw/zinc/26/26/69/525262669.db2.gz HMFHPWDTLIKBIB-LBPRGKRZSA-N 1 0 283.393 2.001 10 0 CEAERO COc1ccc([C@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1O ZINC000054686077 525379717 /nfs/dbraw/zinc/37/97/17/525379717.db2.gz IOEXBINGFLNFOA-BBRMVZONSA-N 1 0 273.332 2.004 10 0 CEAERO Cc1ccc(OC[C@@]([NH2+]C2CC2)(C(N)=O)C2CC2)cc1C ZINC000069197331 525434533 /nfs/dbraw/zinc/43/45/33/525434533.db2.gz WXZBACWJBSOFRB-KRWDZBQOSA-N 1 0 288.391 2.068 10 0 CEAERO Cc1nc[nH]c1C[NH2+]C[C@@H](c1ccccc1)N(C)C ZINC000054793963 525459454 /nfs/dbraw/zinc/45/94/54/525459454.db2.gz VNRQVEAXFSBTQO-HNNXBMFYSA-N 1 0 258.369 2.111 10 0 CEAERO CSCCC[NH2+]C[C@@H](O)CO[C@@H](C)CC(C)C ZINC000069446376 525477341 /nfs/dbraw/zinc/47/73/41/525477341.db2.gz VQUDKACIZBYCKL-QWHCGFSZSA-N 1 0 263.447 2.141 10 0 CEAERO CSCCC[NH2+]C[C@@H](O)COCCCC(C)C ZINC000069446877 525477939 /nfs/dbraw/zinc/47/79/39/525477939.db2.gz SRHSOBQHQGUATI-CYBMUJFWSA-N 1 0 263.447 2.143 10 0 CEAERO CSCCC[NH2+][C@H]1CC(=O)N(C2CCCCCC2)C1=O ZINC000069441134 525484500 /nfs/dbraw/zinc/48/45/00/525484500.db2.gz ZIJVMUCTUIZHIF-ZDUSSCGKSA-N 1 0 298.452 2.179 10 0 CEAERO CSCCNC(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000069463027 525506789 /nfs/dbraw/zinc/50/67/89/525506789.db2.gz POTBHZZTZDCYLT-SECBINFHSA-N 1 0 253.371 2.191 10 0 CEAERO CSCC[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000069430547 525510439 /nfs/dbraw/zinc/51/04/39/525510439.db2.gz PDVCYKXWZBFBOI-UHFFFAOYSA-N 1 0 253.367 2.301 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1Cc1csc(-c2ccccn2)n1 ZINC000261587833 525664156 /nfs/dbraw/zinc/66/41/56/525664156.db2.gz JSKTYAFLAZKLEA-PWSUYJOCSA-N 1 0 274.393 2.127 10 0 CEAERO CSC[C@H](C)C[NH2+][C@H](C)C(=O)NC1CCCCC1 ZINC000069447458 525682421 /nfs/dbraw/zinc/68/24/21/525682421.db2.gz IQWPXPQHAXZPPX-VXGBXAGGSA-N 1 0 272.458 2.413 10 0 CEAERO Cc1c(C)n(CC[NH+]2CCCCC2)c2nc(C)nc(N)c12 ZINC000049575426 525683685 /nfs/dbraw/zinc/68/36/85/525683685.db2.gz XTAINXFIBNPONF-UHFFFAOYSA-N 1 0 287.411 2.425 10 0 CEAERO Cc1cc2ncn(Cc3cc(C[NH3+])no3)c2cc1C ZINC000052575660 525686543 /nfs/dbraw/zinc/68/65/43/525686543.db2.gz FATHXDKSYPDKAG-UHFFFAOYSA-N 1 0 256.309 2.148 10 0 CEAERO Cc1ccc([C@@H](C[NH3+])N(CCO)Cc2ccccc2)o1 ZINC000050514104 525756984 /nfs/dbraw/zinc/75/69/84/525756984.db2.gz FTSKVCKHMPBOHX-OAHLLOKOSA-N 1 0 274.364 2.082 10 0 CEAERO C[C@@]1(C(=O)N[C@H](c2ccccc2)C2CC2)CC[NH2+]C1 ZINC000062893128 525805582 /nfs/dbraw/zinc/80/55/82/525805582.db2.gz QNJWIVJUPRKZOC-GDBMZVCRSA-N 1 0 258.365 2.254 10 0 CEAERO C[NH2+][C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000053204923 536415389 /nfs/dbraw/zinc/41/53/89/536415389.db2.gz GZAQWBYAMDUBTA-JTQLQIEISA-N 1 0 259.275 2.289 10 0 CEAERO C[C@@]1(c2ccccc2)C[N@H+](CC2CCOCC2)CCN1 ZINC000068693708 525901588 /nfs/dbraw/zinc/90/15/88/525901588.db2.gz IHARNZLIKSYYTE-KRWDZBQOSA-N 1 0 274.408 2.234 10 0 CEAERO COc1cccc(CN(C)Cc2ccoc2C[NH3+])c1 ZINC000052372921 525912362 /nfs/dbraw/zinc/91/23/62/525912362.db2.gz VHBYZTMRIKSUET-UHFFFAOYSA-N 1 0 260.337 2.379 10 0 CEAERO Cc1ccc([C@H](O)CCCCN2CC[NH2+]CC2)cc1 ZINC000049851131 525971618 /nfs/dbraw/zinc/97/16/18/525971618.db2.gz XBHXVKFUDKUPAQ-MRXNPFEDSA-N 1 0 262.397 2.104 10 0 CEAERO Cc1ccc([C@H]([C@@H](C)[NH3+])N2CCCOCC2)s1 ZINC000061914210 525979062 /nfs/dbraw/zinc/97/90/62/525979062.db2.gz KDMBCPDVHPPXFH-YPMHNXCESA-N 1 0 254.399 2.167 10 0 CEAERO Cc1cnc(C)c(N2CCC[C@H]2C[NH2+]CC(C)C)n1 ZINC000053697365 525984065 /nfs/dbraw/zinc/98/40/65/525984065.db2.gz CVVGTKANUMOCQQ-AWEZNQCLSA-N 1 0 262.401 2.308 10 0 CEAERO C[C@@H](c1ccc(F)cc1)n1nnnc1C[NH2+]C(C)(C)C ZINC000054747388 526058444 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526303128 /nfs/dbraw/zinc/30/31/28/526303128.db2.gz AVLMRZIKOIGSIO-ISVAXAHUSA-N 1 0 264.760 2.485 10 0 CEAERO Cc1nn([C@H](c2ccncc2)[C@H](C)[NH3+])c(C)c1Cl ZINC000050586405 526306137 /nfs/dbraw/zinc/30/61/37/526306137.db2.gz AVLMRZIKOIGSIO-SDBXPKJASA-N 1 0 264.760 2.485 10 0 CEAERO Oc1ccc(Cc2noc(CC[C@@H]3CCCC[NH2+]3)n2)cc1 ZINC000050928002 526344619 /nfs/dbraw/zinc/34/46/19/526344619.db2.gz DXQOHBQQRDFNPW-ZDUSSCGKSA-N 1 0 287.363 2.441 10 0 CEAERO Oc1cccc2c1CC[C@@H]2[NH2+]CCN1CCCCC1 ZINC000049574818 526367540 /nfs/dbraw/zinc/36/75/40/526367540.db2.gz UNSWUPUPXLTLBX-HNNXBMFYSA-N 1 0 260.381 2.455 10 0 CEAERO Cc1csc(Cc2nc(C)c(CCC[NH3+])c(C)n2)n1 ZINC000055270036 526368102 /nfs/dbraw/zinc/36/81/02/526368102.db2.gz KCJDKXKTZNSNIB-UHFFFAOYSA-N 1 0 276.409 2.340 10 0 CEAERO Fc1ccc2sc(CN3CCC[NH2+]CC3)nc2c1 ZINC000061145579 526380218 /nfs/dbraw/zinc/38/02/18/526380218.db2.gz MRAWNRBGEPVLIB-UHFFFAOYSA-N 1 0 265.357 2.231 10 0 CEAERO c1cc(OC2CCOCC2)cc(N2CCC[NH2+]CC2)c1 ZINC000069310927 526434727 /nfs/dbraw/zinc/43/47/27/526434727.db2.gz OGLAYDGYNSQVQP-UHFFFAOYSA-N 1 0 276.380 2.044 10 0 CEAERO c1cc2c(s1)CCC[C@H]2[NH2+]CCN1CCOCC1 ZINC000061324731 526447039 /nfs/dbraw/zinc/44/70/39/526447039.db2.gz LEEPGVQMZQSWPP-CYBMUJFWSA-N 1 0 266.410 2.047 10 0 CEAERO c1ccc(CCN2CCCC[C@H]2[C@@H]2CCC[NH2+]2)nc1 ZINC000063190449 526465536 /nfs/dbraw/zinc/46/55/36/526465536.db2.gz NIIRWKZJFOXHAT-HOTGVXAUSA-N 1 0 259.397 2.231 10 0 CEAERO c1ccc(Cc2noc(CC[C@@H]3CCCC[NH2+]3)n2)nc1 ZINC000050928039 526478311 /nfs/dbraw/zinc/47/83/11/526478311.db2.gz RVDKBJUYTMLBNT-LBPRGKRZSA-N 1 0 272.352 2.130 10 0 CEAERO c1cn(-c2ccccc2)nc1CO[C@@H]1CCC[NH2+]C1 ZINC000061641217 526528237 /nfs/dbraw/zinc/52/82/37/526528237.db2.gz QOQHEAMLRVOAHZ-OAHLLOKOSA-N 1 0 257.337 2.141 10 0 CEAERO Cc1nc(-c2ccc(C(=O)NCCC[NH+](C)C)o2)cs1 ZINC000049658626 526564276 /nfs/dbraw/zinc/56/42/76/526564276.db2.gz BIHRELYEVIXVLN-UHFFFAOYSA-N 1 0 293.392 2.393 10 0 CEAERO O=C(CC[C@H]1CCCC[NH2+]1)N1CCc2ccc(O)cc2C1 ZINC000050947686 526564906 /nfs/dbraw/zinc/56/49/06/526564906.db2.gz UVRWVXHFOYEMJF-OAHLLOKOSA-N 1 0 288.391 2.199 10 0 CEAERO Cc1noc(COc2cc(F)ccc2[C@H](C)[NH3+])n1 ZINC000062745345 526626203 /nfs/dbraw/zinc/62/62/03/526626203.db2.gz UNESAPKBZPMFJR-ZETCQYMHSA-N 1 0 251.261 2.116 10 0 CEAERO O=C(CN1CCC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000050499173 526746924 /nfs/dbraw/zinc/74/69/24/526746924.db2.gz FFTRPNXEVPLKPT-UHFFFAOYSA-N 1 0 287.190 2.471 10 0 CEAERO Cc1nc(C)n([C@H](C[NH2+]C2CC2)c2ccccc2)n1 ZINC000052574536 526765804 /nfs/dbraw/zinc/76/58/04/526765804.db2.gz PNFFZCCNKVCRJA-OAHLLOKOSA-N 1 0 256.353 2.236 10 0 CEAERO NC(=[NH2+])c1cc(OCCCc2ccccc2)ccn1 ZINC000061814654 526821184 /nfs/dbraw/zinc/82/11/84/526821184.db2.gz LUPMKHOBXZVFPE-UHFFFAOYSA-N 1 0 255.321 2.377 10 0 CEAERO NC(=[NH2+])c1ccccc1N1CCOc2ccccc2C1 ZINC000063012789 526824325 /nfs/dbraw/zinc/82/43/25/526824325.db2.gz JHLQANOISRJLLV-UHFFFAOYSA-N 1 0 267.332 2.370 10 0 CEAERO Cc1nc(CN(C)CCC[C@H]2CCC[NH2+]2)cs1 ZINC000052764679 526840132 /nfs/dbraw/zinc/84/01/32/526840132.db2.gz NCOPTURRRIHIEL-GFCCVEGCSA-N 1 0 253.415 2.416 10 0 CEAERO Cc1nc(Cc2cccnc2)nc(C)c1[C@H](C)C[NH3+] ZINC000054836981 526929234 /nfs/dbraw/zinc/92/92/34/526929234.db2.gz GKMLTMHPRJYQKZ-SNVBAGLBSA-N 1 0 256.353 2.141 10 0 CEAERO Cc1nc(Cc2ccncc2)nc(C)c1[C@@H](C)C[NH3+] ZINC000054836970 526929387 /nfs/dbraw/zinc/92/93/87/526929387.db2.gz BKTKJFDODTYHNY-JTQLQIEISA-N 1 0 256.353 2.141 10 0 CEAERO Cc1nc(Cc2ccncc2)nc(C)c1CC[NH2+]C1CC1 ZINC000054853848 526929480 /nfs/dbraw/zinc/92/94/80/526929480.db2.gz CNNMMMNOBQXGDK-UHFFFAOYSA-N 1 0 282.391 2.374 10 0 CEAERO Clc1ccc(OCC[NH2+]C[C@H]2CCOC2)cc1 ZINC000053566364 526957269 /nfs/dbraw/zinc/95/72/69/526957269.db2.gz PUTPNNYTHQCMLQ-LLVKDONJSA-N 1 0 255.745 2.345 10 0 CEAERO Clc1cccc2nc(CN3CC[NH2+]CC3)n(C3CC3)c21 ZINC000051640058 526983515 /nfs/dbraw/zinc/98/35/15/526983515.db2.gz BMFZZFUJJSEXIG-UHFFFAOYSA-N 1 0 290.798 2.430 10 0 CEAERO NC(=O)[C@H](CCSc1ccc(Cl)cc1)[NH2+]C1CC1 ZINC000062597844 526992883 /nfs/dbraw/zinc/99/28/83/526992883.db2.gz MTNCDUVGETYDHQ-LBPRGKRZSA-N 1 0 284.812 2.428 10 0 CEAERO NC(=O)[C@]([NH3+])(CSc1ccccc1Cl)C1CC1 ZINC000069186593 527016889 /nfs/dbraw/zinc/01/68/89/527016889.db2.gz QNKLAHVMAGQABB-LBPRGKRZSA-N 1 0 270.785 2.025 10 0 CEAERO O=C1C[C@H]2CCC[C@@H](C1)N2CC[NH+]1CCCCC1 ZINC000054601129 527034197 /nfs/dbraw/zinc/03/41/97/527034197.db2.gz XWGYUYLBGCZTMU-OKILXGFUSA-N 1 0 250.386 2.058 10 0 CEAERO NC(=S)C[C@@H](c1ccccc1)[N@@H+]1CCCC[C@@H]1CO ZINC000055024859 527108797 /nfs/dbraw/zinc/10/87/97/527108797.db2.gz VZQQAKAXLQXHFD-KGLIPLIRSA-N 1 0 278.421 2.251 10 0 CEAERO NC(=S)C[C@H](c1ccccc1)[NH+]1CCC(CO)CC1 ZINC000055024579 527109342 /nfs/dbraw/zinc/10/93/42/527109342.db2.gz WNOPAFAFOAWSFU-CQSZACIVSA-N 1 0 278.421 2.108 10 0 CEAERO NC(=S)c1cc(Cl)ccc1N1CC[NH+](C2CC2)CC1 ZINC000052858563 527114264 /nfs/dbraw/zinc/11/42/64/527114264.db2.gz RCSYBUCXTXBFGM-UHFFFAOYSA-N 1 0 295.839 2.259 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)N[C@H]1CCCc2occc21 ZINC000054308755 527119155 /nfs/dbraw/zinc/11/91/55/527119155.db2.gz OXNUEIWARVRKDE-AAEUAGOBSA-N 1 0 262.353 2.163 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)NCCc1cc(F)cc(F)c1 ZINC000054293007 527167741 /nfs/dbraw/zinc/16/77/41/527167741.db2.gz CFKLMENWDHIDES-GFCCVEGCSA-N 1 0 282.334 2.013 10 0 CEAERO [NH3+]CCCN(CCCCCO)c1ccc(F)cc1 ZINC000051020223 527179180 /nfs/dbraw/zinc/17/91/80/527179180.db2.gz REAJYCWONYACFY-UHFFFAOYSA-N 1 0 254.349 2.144 10 0 CEAERO O=S(=O)(C[C@H]1CCCC[NH2+]1)Nc1cccc(Cl)c1 ZINC000049630811 527184632 /nfs/dbraw/zinc/18/46/32/527184632.db2.gz TYULMJYBFOADBP-GFCCVEGCSA-N 1 0 288.800 2.224 10 0 CEAERO NC(=O)c1ccccc1N1C[C@@H](CC[NH3+])c2ccccc21 ZINC000063129563 527193444 /nfs/dbraw/zinc/19/34/44/527193444.db2.gz QAEVROIUAGBLRB-GFCCVEGCSA-N 1 0 281.359 2.370 10 0 CEAERO [NH3+]CCc1cn(CC(=O)N2CCCCC2)c2ccccc12 ZINC000062950678 527197334 /nfs/dbraw/zinc/19/73/34/527197334.db2.gz FDMATNIXRQSDOF-UHFFFAOYSA-N 1 0 285.391 2.155 10 0 CEAERO [NH3+]CCc1nccn1Cc1cccc(Br)c1 ZINC000052304120 527198360 /nfs/dbraw/zinc/19/83/60/527198360.db2.gz WRNMFYGKPYUMAZ-UHFFFAOYSA-N 1 0 280.169 2.195 10 0 CEAERO [NH3+]C[C@@H](c1cc2ccccc2o1)N1CCN(C2CC2)CC1 ZINC000068811526 527205552 /nfs/dbraw/zinc/20/55/52/527205552.db2.gz MCZKJBFNIGPPCV-HNNXBMFYSA-N 1 0 285.391 2.213 10 0 CEAERO [NH3+]C[C@@H](c1ccc2ncccc2c1)N1CCSCC1 ZINC000069502296 527208047 /nfs/dbraw/zinc/20/80/47/527208047.db2.gz KFJAOUMSQKJCAO-HNNXBMFYSA-N 1 0 273.405 2.283 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@H]1Sc1nnc2ccccn21 ZINC000061407144 527233238 /nfs/dbraw/zinc/23/32/38/527233238.db2.gz KXPQAANGHNFWQQ-GHMZBOCLSA-N 1 0 262.382 2.339 10 0 CEAERO [NH3+]C[C@]1(N2CCC3(CCCCC3)CC2)CN2CCC1CC2 ZINC000061818846 527242911 /nfs/dbraw/zinc/24/29/11/527242911.db2.gz ZQYVBOVABJHQJY-SFHVURJKSA-N 1 0 291.483 2.456 10 0 CEAERO [NH3+]Cc1cnc(-c2ccccc2Br)nc1 ZINC000054855309 527262612 /nfs/dbraw/zinc/26/26/12/527262612.db2.gz NSVZKMSHYSHJEC-UHFFFAOYSA-N 1 0 264.126 2.365 10 0 CEAERO [NH3+]Cc1sc(N2CCSCC2)nc1C1CC1 ZINC000068942199 527269580 /nfs/dbraw/zinc/26/95/80/527269580.db2.gz JUHODQYWSJQHPJ-UHFFFAOYSA-N 1 0 255.412 2.032 10 0 CEAERO O=S1(=O)CC[C@H]([C@H](C[NH2+]C2CC2)CC2CCCC2)C1 ZINC000052951798 527313290 /nfs/dbraw/zinc/31/32/90/527313290.db2.gz XMMGAMOHCSAVEK-KBPBESRZSA-N 1 0 285.453 2.370 10 0 CEAERO Cn1cc([C@H]([NH3+])Cc2ccc(F)cc2Cl)cn1 ZINC000062607798 527313874 /nfs/dbraw/zinc/31/38/74/527313874.db2.gz VNLYNWMOHDEXAN-GFCCVEGCSA-N 1 0 253.708 2.455 10 0 CEAERO [NH3+][C@H](c1cc2[nH]c(=O)[nH]c2cc1Br)C1CCC1 ZINC000052094294 527391637 /nfs/dbraw/zinc/39/16/37/527391637.db2.gz PDUGQELIFADECS-NSHDSACASA-N 1 0 296.168 2.419 10 0 CEAERO [NH3+][C@H]1CCCN(Cc2nc(Cl)ccc2Cl)C1 ZINC000061630473 527401217 /nfs/dbraw/zinc/40/12/17/527401217.db2.gz KYARCCFVTQFKIK-QMMMGPOBSA-N 1 0 260.168 2.312 10 0 CEAERO [NH3+][C@H]1Cc2ccccc2[C@@H]1NC(=O)CC[C@@H]1CCCCO1 ZINC000069405643 527420331 /nfs/dbraw/zinc/42/03/31/527420331.db2.gz LNKZQVHJUYGNKY-QRTARXTBSA-N 1 0 288.391 2.077 10 0 CEAERO [NH3+][C@H]1Cc2ccccc2N(C(=O)Cc2ccc(F)cc2)C1 ZINC000070195699 527420470 /nfs/dbraw/zinc/42/04/70/527420470.db2.gz WFOORCPXDDAJOD-HNNXBMFYSA-N 1 0 284.334 2.285 10 0 CEAERO O=c1c2ccccc2cnn1CC[NH2+]C(C1CC1)C1CC1 ZINC000053521181 527463791 /nfs/dbraw/zinc/46/37/91/527463791.db2.gz HABFWAOXDHJATA-UHFFFAOYSA-N 1 0 283.375 2.175 10 0 CEAERO Nc1ccc(F)cc1C[N@H+](CCO)Cc1ccccc1 ZINC000050513813 527489486 /nfs/dbraw/zinc/48/94/86/527489486.db2.gz XVHUANOQMHJXOV-UHFFFAOYSA-N 1 0 274.339 2.402 10 0 CEAERO Nc1ccc(N2CC[NH+](C3CC3)CC2)c2ncccc12 ZINC000048990800 527490765 /nfs/dbraw/zinc/49/07/65/527490765.db2.gz MJDQHLOIFBSPSQ-UHFFFAOYSA-N 1 0 268.364 2.101 10 0 CEAERO Cn1nccc1[C@H]([NH3+])Cc1ccc(Br)cc1 ZINC000069020406 527628058 /nfs/dbraw/zinc/62/80/58/527628058.db2.gz FQQIPNAGVPNKKE-LLVKDONJSA-N 1 0 280.169 2.425 10 0 CEAERO CCC[C@H](C)C(=O)N1CC[N@H+](CCOCC)[C@H](CC)C1 ZINC000116767004 527994886 /nfs/dbraw/zinc/99/48/86/527994886.db2.gz OPWKUHMFYJXBNA-LSDHHAIUSA-N 1 0 284.444 2.382 10 0 CEAERO CCCc1ccc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000116782973 528616153 /nfs/dbraw/zinc/61/61/53/528616153.db2.gz FYGHQWAXMVPGJO-INIZCTEOSA-N 1 0 290.407 2.042 10 0 CEAERO CCC[C@@H](C(=O)N1CCO[C@@H](c2cccs2)C1)[NH+](C)C ZINC000155003297 528840121 /nfs/dbraw/zinc/84/01/21/528840121.db2.gz BGRMHRIXUPAGFK-QWHCGFSZSA-N 1 0 296.436 2.378 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CSc2ccncc2)C1 ZINC000158862364 529086499 /nfs/dbraw/zinc/08/64/99/529086499.db2.gz IDKRUHWWCLNCJG-OCCSQVGLSA-N 1 0 293.436 2.019 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1csc(C)n1 ZINC000175358070 529097727 /nfs/dbraw/zinc/09/77/27/529097727.db2.gz ZVPAGUOFNCVHHH-ZDUSSCGKSA-N 1 0 253.415 2.368 10 0 CEAERO CC[C@H]1CN(Cc2sc(C)nc2C)CC[N@@H+]1CCOC ZINC000172791727 529299330 /nfs/dbraw/zinc/29/93/30/529299330.db2.gz OMUZYMPAKKRNCF-AWEZNQCLSA-N 1 0 297.468 2.303 10 0 CEAERO C[NH2+][C@H]1CCN(C(=O)CCCOC)c2ccccc21 ZINC000095033404 536417653 /nfs/dbraw/zinc/41/76/53/536417653.db2.gz HLDHFPJHUAHIRI-ZDUSSCGKSA-N 1 0 262.353 2.110 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N[C@@H]1CCOc2ccccc21 ZINC000227377383 538812521 /nfs/dbraw/zinc/81/25/21/538812521.db2.gz HSCQCVVTPYBRGX-OUCADQQQSA-N 1 0 274.364 2.001 10 0 CEAERO CC(C)Cc1nnc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])s1 ZINC000227420042 538833985 /nfs/dbraw/zinc/83/39/85/538833985.db2.gz MVHQVFJDNHHTDG-ZJUUUORDSA-N 1 0 282.413 2.050 10 0 CEAERO O=C1Nc2ccc(Br)cc2[C@@]2(CC[NH2+]C2)O1 ZINC000259585844 570268186 /nfs/dbraw/zinc/26/81/86/570268186.db2.gz ZELLPXMSHPXUNG-NSHDSACASA-N 1 0 283.125 2.200 10 0 CEAERO CC(=O)O[C@@H]1C[C@H]2CC[C@@H]([C@@H]1[C@H](O)c1ccccc1)[N@@H+]2C ZINC000005857627 560203705 /nfs/dbraw/zinc/20/37/05/560203705.db2.gz RNAIYSUVIULACI-BPKGMFCQSA-N 1 0 289.375 2.134 10 0 in-vitro CEAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(Cl)c(OC)c1 ZINC000757185455 574511688 /nfs/dbraw/zinc/51/16/88/574511688.db2.gz UUVAEUACZVJXPS-MNOVXSKESA-N 1 0 283.755 2.215 10 0 CEAERO Cc1nn(C)c2sc([C@@H]3[NH2+][C@H](C)CC[C@H]3N)cc12 ZINC000757215982 574513088 /nfs/dbraw/zinc/51/30/88/574513088.db2.gz ORLSVWDDLPEBGU-NYRNMGCKSA-N 1 0 264.398 2.084 10 0 CEAERO CCOC(=O)[C@H]1CCC[NH2+][C@@H]1c1ccc(C=O)s1 ZINC000757218634 574513498 /nfs/dbraw/zinc/51/34/98/574513498.db2.gz VNUROQDXBWMBNY-JQWIXIFHSA-N 1 0 267.350 2.164 10 0 CEAERO Cc1ccc2c(c1Br)[C@@H](C[NH3+])CC(=O)N2 ZINC000757175990 574511308 /nfs/dbraw/zinc/51/13/08/574511308.db2.gz SWHVFAGUWWKIQX-SSDOTTSWSA-N 1 0 269.142 2.142 10 0 CEAERO CCC[C@H](C[NH3+])[C@H](O)c1cnn(Cc2ccccc2)c1 ZINC000394426747 570281899 /nfs/dbraw/zinc/28/18/99/570281899.db2.gz ADDUIKCTDBSDOD-ZBFHGGJFSA-N 1 0 273.380 2.340 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CSC(F)(F)F ZINC000177040760 625386478 /nfs/dbraw/zinc/38/64/78/625386478.db2.gz WGSUHICCKKBCMY-SECBINFHSA-N 1 0 284.347 2.182 10 0 CEAERO Cc1ccc(-c2cc(C(=O)N[C@@H]3CCC[NH2+][C@H]3C)[nH]n2)cc1 ZINC000193515912 625569032 /nfs/dbraw/zinc/56/90/32/625569032.db2.gz TXPTZFRCNWFJON-GXTWGEPZSA-N 1 0 298.390 2.255 10 0 CEAERO C[C@@H]1CCN(c2ncc(Cl)cc2F)C[C@H]1C[NH3+] ZINC000253181220 622675100 /nfs/dbraw/zinc/67/51/00/622675100.db2.gz FBECXHXBOLYMQN-RKDXNWHRSA-N 1 0 257.740 2.295 10 0 CEAERO Cc1nc([C@H]2C[NH2+]C[C@H]2C(=O)OC(C)(C)C)cs1 ZINC000757192292 622964970 /nfs/dbraw/zinc/96/49/70/622964970.db2.gz XUDKQUQKAXEFPF-VHSXEESVSA-N 1 0 268.382 2.096 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cn1ccc(C(F)(F)F)n1 ZINC000177162177 625621546 /nfs/dbraw/zinc/62/15/46/625621546.db2.gz JOLXYMBUHPZOMN-LLVKDONJSA-N 1 0 290.333 2.276 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(Cl)cc1F ZINC000261564183 623379767 /nfs/dbraw/zinc/37/97/67/623379767.db2.gz XOOJPQOTFVCGNI-HQJQHLMTSA-N 1 0 256.708 2.041 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000261785196 623463658 /nfs/dbraw/zinc/46/36/58/623463658.db2.gz PWWDROUTQRVVMJ-BXUZGUMPSA-N 1 0 296.436 2.094 10 0 CEAERO C/C=C\CC(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000096843456 623648276 /nfs/dbraw/zinc/64/82/76/623648276.db2.gz VOMAZQYWWIIRIT-WSNITJDQSA-N 1 0 252.402 2.437 10 0 CEAERO CCC[NH2+]Cc1cnn(-c2ccc(Cl)cc2)n1 ZINC000051174666 623698615 /nfs/dbraw/zinc/69/86/15/623698615.db2.gz XORXGEKWNNZNBR-UHFFFAOYSA-N 1 0 250.733 2.420 10 0 CEAERO O=C(NC[C@@H]1CC[NH2+]C1)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000250838914 625088274 /nfs/dbraw/zinc/08/82/74/625088274.db2.gz LLXNOWSVXGFDJK-APIJFGDWSA-N 1 0 264.413 2.319 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CCCc2sccc21 ZINC000235301494 625260013 /nfs/dbraw/zinc/26/00/13/625260013.db2.gz LGNJCVNKDHJHRX-JLLWLGSASA-N 1 0 264.394 2.097 10 0 CEAERO [NH3+]CC[C@H]1CCN(c2ccnc(C(F)(F)F)c2)C1 ZINC000310648923 625774006 /nfs/dbraw/zinc/77/40/06/625774006.db2.gz FXNHHPSTKRMTKM-VIFPVBQESA-N 1 0 259.275 2.276 10 0 CEAERO CN(Cc1ccccc1)C(=O)C[NH2+]CCc1ccccc1 ZINC000066212937 625799733 /nfs/dbraw/zinc/79/97/33/625799733.db2.gz YWTLGKYDZJYCTR-UHFFFAOYSA-N 1 0 282.387 2.477 10 0 CEAERO [NH3+]C[C@H]1CCCN1c1ncc(Br)cc1Cl ZINC000236171867 625903276 /nfs/dbraw/zinc/90/32/76/625903276.db2.gz TUQPEKJSGZXLPX-MRVPVSSYSA-N 1 0 290.592 2.425 10 0 CEAERO C[C@@H]([NH2+]C[C@@H]1CNC(=O)O1)c1ccc(Cl)s1 ZINC000309504855 628147165 /nfs/dbraw/zinc/14/71/65/628147165.db2.gz BQZFATQYDPKNTB-RNFRBKRXSA-N 1 0 260.746 2.161 10 0 CEAERO CC[N@@H+]1C[C@@H](C)[C@H](NCc2occc2Br)C1 ZINC000309664326 628186931 /nfs/dbraw/zinc/18/69/31/628186931.db2.gz SQRRLFKPXFRWDG-MWLCHTKSSA-N 1 0 287.201 2.472 10 0 CEAERO C[C@H](C[NH3+])c1noc(-c2occc2Br)n1 ZINC000309779984 628205696 /nfs/dbraw/zinc/20/56/96/628205696.db2.gz MRWUNZBYWKOUMB-RXMQYKEDSA-N 1 0 272.102 2.154 10 0 CEAERO COCC[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC000309964882 628234777 /nfs/dbraw/zinc/23/47/77/628234777.db2.gz CXVDAUMYCYHVDB-NEPJUHHUSA-N 1 0 274.405 2.256 10 0 CEAERO CC(C)(O)c1ccc(C[NH2+][C@H]2CCC[C@H](O)C2)cc1 ZINC000311370493 628512642 /nfs/dbraw/zinc/51/26/42/628512642.db2.gz UBRJALKJOWJCTD-GJZGRUSLSA-N 1 0 263.381 2.307 10 0 CEAERO COCC1(c2noc(C[C@H]([NH3+])C(C)C)n2)CCCC1 ZINC000312930734 628563980 /nfs/dbraw/zinc/56/39/80/628563980.db2.gz PORAIRXHHHZSSB-NSHDSACASA-N 1 0 267.373 2.054 10 0 CEAERO C[NH2+]C[C@H]1CCCN(c2ncc(Cl)cc2F)C1 ZINC000094052500 628750196 /nfs/dbraw/zinc/75/01/96/628750196.db2.gz YQOJHJHUOGNREM-SECBINFHSA-N 1 0 257.740 2.310 10 0 CEAERO CCOc1ccc(NC(=O)C2CC([NH3+])C2)cc1Cl ZINC000258620804 628752665 /nfs/dbraw/zinc/75/26/65/628752665.db2.gz BXVPSGKBUAOYNQ-UHFFFAOYSA-N 1 0 268.744 2.415 10 0 CEAERO OCCC[C@H]1CCC[N@@H+]1CC[C@H](O)c1ccccc1 ZINC000053933691 628764677 /nfs/dbraw/zinc/76/46/77/628764677.db2.gz VVMFBPOAOGNMJF-CVEARBPZSA-N 1 0 263.381 2.347 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1Nc1cncc(Br)c1 ZINC000261529657 628934780 /nfs/dbraw/zinc/93/47/80/628934780.db2.gz BGTFBUBAAGFNLV-KWQFWETISA-N 1 0 270.174 2.383 10 0 CEAERO C[C@H]([NH3+])[C@@H]1CCN(c2cncc(Br)c2)C1 ZINC000261536187 628935835 /nfs/dbraw/zinc/93/58/35/628935835.db2.gz QRGRLPMLAVZUEH-DTWKUNHWSA-N 1 0 270.174 2.018 10 0 CEAERO CO[C@@H](C)c1nsc(NCC2(C)CC[NH2+]CC2)n1 ZINC000261562751 628938548 /nfs/dbraw/zinc/93/85/48/628938548.db2.gz GPVFDAZUWUDMSW-VIFPVBQESA-N 1 0 270.402 2.047 10 0 CEAERO CO[C@H](C)c1nsc(N[C@@H](C)[C@@H]2CCC[NH2+]C2)n1 ZINC000261590132 628942697 /nfs/dbraw/zinc/94/26/97/628942697.db2.gz WVQWDJZGSGGBNO-IVZWLZJFSA-N 1 0 270.402 2.046 10 0 CEAERO COC[C@]1(CNc2nc3ccccc3o2)CCC[NH2+]1 ZINC000261651732 628961893 /nfs/dbraw/zinc/96/18/93/628961893.db2.gz YJKDKJLFPNFWLV-CQSZACIVSA-N 1 0 261.325 2.008 10 0 CEAERO Cc1cnc(-c2cccc(NC(=O)C[C@@H](C)[NH3+])c2)o1 ZINC000261668760 628978462 /nfs/dbraw/zinc/97/84/62/628978462.db2.gz AKCRPTKFXYXTOR-SECBINFHSA-N 1 0 259.309 2.326 10 0 CEAERO CCOc1c(F)cccc1C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000237024472 629153043 /nfs/dbraw/zinc/15/30/43/629153043.db2.gz IFSBSBGQGIVENK-GWCFXTLKSA-N 1 0 280.343 2.082 10 0 CEAERO CCc1ccc([C@@H](C)NC(=S)NCC[NH+](C)C)cc1 ZINC000047808667 629259092 /nfs/dbraw/zinc/25/90/92/629259092.db2.gz XVQWUDSRUKMRNS-GFCCVEGCSA-N 1 0 279.453 2.336 10 0 CEAERO Cc1nc([C@@H](C)NC(=O)CC[C@H]2CC[NH2+]C2)cs1 ZINC000261883872 629299426 /nfs/dbraw/zinc/29/94/26/629299426.db2.gz SEKVWFBWZAFLAK-KOLCDFICSA-N 1 0 267.398 2.018 10 0 CEAERO Cc1nn(C(C)C)cc1CN1CCCC[C@H]1C[NH3+] ZINC000261966929 629402229 /nfs/dbraw/zinc/40/22/29/629402229.db2.gz PYPQDEAXLKLBGC-AWEZNQCLSA-N 1 0 250.390 2.086 10 0 CEAERO Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)c1 ZINC000262011595 629435971 /nfs/dbraw/zinc/43/59/71/629435971.db2.gz VPMZDPPLVPKRSD-BRWVUGGUSA-N 1 0 274.408 2.242 10 0 CEAERO CCc1ccc(CC(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000237159097 629779646 /nfs/dbraw/zinc/77/96/46/629779646.db2.gz ZRGBKFACSPECMR-GJZGRUSLSA-N 1 0 260.381 2.035 10 0 CEAERO COC[C@@H]([NH3+])C(=O)N[C@H](C)c1cc(Cl)ccc1Cl ZINC000262278703 630598144 /nfs/dbraw/zinc/59/81/44/630598144.db2.gz LJQNFMKFCQYSAE-RDDDGLTNSA-N 1 0 291.178 2.144 10 0 CEAERO C[C@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2C1)[NH+]1CCCCC1 ZINC000251065563 631657432 /nfs/dbraw/zinc/65/74/32/631657432.db2.gz DCDIXGAJYRKMCK-YIYPIFLZSA-N 1 0 250.386 2.023 10 0 CEAERO [NH3+][C@@H](CS(=O)(=O)N1CCCCCC1)C1CCCCC1 ZINC000757153997 631823513 /nfs/dbraw/zinc/82/35/13/631823513.db2.gz UDOWYYTZKDUUQK-AWEZNQCLSA-N 1 0 288.457 2.100 10 0 CEAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@H]1c1cccc(O)c1 ZINC000757183044 631830044 /nfs/dbraw/zinc/83/00/44/631830044.db2.gz DHPGQQCUFSYXAL-QWHCGFSZSA-N 1 0 263.337 2.037 10 0 CEAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@H]1c1ccnc(Cl)c1 ZINC000757186642 631831299 /nfs/dbraw/zinc/83/12/99/631831299.db2.gz DOLWNPCEBRJLQH-QWRGUYRKSA-N 1 0 282.771 2.380 10 0 CEAERO CC(C)C[N@H+](CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)C1CC1 ZINC000249054631 632401144 /nfs/dbraw/zinc/40/11/44/632401144.db2.gz LSKFUHXNBLGTRC-ZIAGYGMSSA-N 1 0 276.380 2.016 10 0 CEAERO COc1ncc(-c2cncc([C@@H]3OCC[C@H]3[NH3+])c2)cc1C ZINC000906190299 636643684 /nfs/dbraw/zinc/64/36/84/636643684.db2.gz MBQARBHPDKLPEB-CABCVRRESA-N 1 0 285.347 2.249 10 0 CEAERO CCC[C@@H](C(=O)Nc1cc(F)cc(F)c1O)[NH+](C)C ZINC000910981397 638210823 /nfs/dbraw/zinc/21/08/23/638210823.db2.gz ARMKHUZWOBJDLS-NSHDSACASA-N 1 0 272.295 2.339 10 0 CEAERO COc1c2c(sc1C(=O)NCC[NH+]1CCCC1)CCC2 ZINC000223477080 639424702 /nfs/dbraw/zinc/42/47/02/639424702.db2.gz NOMIHKVXAVAEDV-UHFFFAOYSA-N 1 0 294.420 2.071 10 0 CEAERO CO[C@@H](c1noc(C[C@H]([NH3+])CC(C)C)n1)C1CC1 ZINC000157209497 639461013 /nfs/dbraw/zinc/46/10/13/639461013.db2.gz AYRPHHCHORBFGY-ZYHUDNBSSA-N 1 0 253.346 2.083 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1Nc1ccc(C(F)(F)F)nn1 ZINC000167120404 639508121 /nfs/dbraw/zinc/50/81/21/639508121.db2.gz UVJRFHSKZYKDAO-JGVFFNPUSA-N 1 0 260.263 2.035 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccc(Cl)nn1 ZINC000167260687 639510762 /nfs/dbraw/zinc/51/07/62/639510762.db2.gz BCUCWOTWNRFIIM-GFCCVEGCSA-N 1 0 268.792 2.046 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1ccc(Br)nc1 ZINC000227432619 639591882 /nfs/dbraw/zinc/59/18/82/639591882.db2.gz MKGUSGORAPZXBP-WCBMZHEXSA-N 1 0 298.184 2.158 10 0 CEAERO CCc1cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cc(Cl)n1 ZINC000228115971 639619769 /nfs/dbraw/zinc/61/97/69/639619769.db2.gz OQEMIOXEBFSTHX-GFCCVEGCSA-N 1 0 281.787 2.074 10 0 CEAERO COCC(=O)N1CC[C@@H](C2CC[NH+](CCC(C)C)CC2)C1 ZINC000169752288 639634750 /nfs/dbraw/zinc/63/47/50/639634750.db2.gz JPUCVKZHVRGUGD-MRXNPFEDSA-N 1 0 296.455 2.239 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]2CN(c3ncnc4sccc43)C[C@H]21 ZINC000228553111 639642815 /nfs/dbraw/zinc/64/28/15/639642815.db2.gz KKKGTMCMYVSODP-YUSALJHKSA-N 1 0 274.393 2.255 10 0 CEAERO C[C@H](CO)[C@H](C)[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000228726766 639655844 /nfs/dbraw/zinc/65/58/44/639655844.db2.gz NBOLROKLXYDOEN-IIYDPXPESA-N 1 0 273.376 2.480 10 0 CEAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc2ncccc2c1 ZINC000061416168 639704262 /nfs/dbraw/zinc/70/42/62/639704262.db2.gz LYUJOHXTTQAXOO-YIONKMFJSA-N 1 0 281.359 2.248 10 0 CEAERO Cc1cccc(CCC(=O)N[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000061883610 639727633 /nfs/dbraw/zinc/72/76/33/639727633.db2.gz XIXZSUZWKOMAOC-CABCVRRESA-N 1 0 260.381 2.171 10 0 CEAERO c1ccc(OCCc2nc([C@@H]3CCC[NH2+]C3)no2)cc1 ZINC000062257011 639741371 /nfs/dbraw/zinc/74/13/71/639741371.db2.gz PPCCNUZYWSXNLJ-GFCCVEGCSA-N 1 0 273.336 2.158 10 0 CEAERO COC1CC([NH2+]Cc2c(C)nc3sc(C)cn23)C1 ZINC000230689605 639781826 /nfs/dbraw/zinc/78/18/26/639781826.db2.gz MGGAUFKCFCKCPQ-UHFFFAOYSA-N 1 0 265.382 2.280 10 0 CEAERO C[NH+](C)CCN(C(=O)c1ccc(F)cc1N)C1CCCC1 ZINC000062822814 639785919 /nfs/dbraw/zinc/78/59/19/639785919.db2.gz FKQQVFOOXZLMOV-UHFFFAOYSA-N 1 0 293.386 2.354 10 0 CEAERO CCC1CCC(NC(=O)[C@]2(C)CCC[NH2+]C2)CC1 ZINC000062859874 639788785 /nfs/dbraw/zinc/78/87/85/639788785.db2.gz JPRWHYUCYBQNAY-SSDMNJCBSA-N 1 0 252.402 2.461 10 0 CEAERO CN(Cc1ccc(Br)cn1)[C@H]1CCC[NH2+]CC1 ZINC000231456196 639854241 /nfs/dbraw/zinc/85/42/41/639854241.db2.gz QTGXBTHIDREIPJ-ZDUSSCGKSA-N 1 0 298.228 2.418 10 0 CEAERO COC1CC([NH2+][C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000231721199 639872901 /nfs/dbraw/zinc/87/29/01/639872901.db2.gz QRIOGZSZNNKTMP-TUUUFIMRSA-N 1 0 284.400 2.199 10 0 CEAERO CC(=O)Nc1cccc(NC(=O)[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000089387047 640361725 /nfs/dbraw/zinc/36/17/25/640361725.db2.gz XZXIASLYJGNCTK-DOMZBBRYSA-N 1 0 289.379 2.349 10 0 CEAERO CCOCC[N@@H+]1CCN(Cc2ccc(Cl)nc2)C[C@@H]1C ZINC000105835168 640937490 /nfs/dbraw/zinc/93/74/90/640937490.db2.gz ZJVWNQKLYJSVHL-ZDUSSCGKSA-N 1 0 297.830 2.278 10 0 CEAERO O=S(=O)(/C=C/c1ccccc1)N1CCc2cnccc21 ZINC000175313747 641323277 /nfs/dbraw/zinc/32/32/77/641323277.db2.gz KZHKNFZAUMLBSI-DHZHZOJOSA-N 1 0 286.356 2.445 10 0 CEAERO Cn1c2ccccc2n(CN2CC[C@@H]([NH+](C)C)C2)c1=S ZINC000170843376 641340134 /nfs/dbraw/zinc/34/01/34/641340134.db2.gz SJMNWKDZTSUKDJ-GFCCVEGCSA-N 1 0 290.436 2.303 10 0 CEAERO C[NH+](C)[C@H]1CCN(CN2c3cccc4cccc(c34)C2=O)C1 ZINC000170843568 641340632 /nfs/dbraw/zinc/34/06/32/641340632.db2.gz FLHPXRWQRCXLGU-AWEZNQCLSA-N 1 0 295.386 2.393 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1Cc1cccc(Br)c1 ZINC000261537962 641352169 /nfs/dbraw/zinc/35/21/69/641352169.db2.gz WWNUBVRAEMILDT-SKDRFNHKSA-N 1 0 269.186 2.371 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1cc(-c2ccccc2)on1 ZINC000238045976 641426131 /nfs/dbraw/zinc/42/61/31/641426131.db2.gz PQZURHFDKRCOGE-QWHCGFSZSA-N 1 0 285.347 2.199 10 0 CEAERO Cc1cc(Br)cc(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)c1 ZINC000261557128 641520153 /nfs/dbraw/zinc/52/01/53/641520153.db2.gz RGFPORWXIHVPEZ-JOYOIKCWSA-N 1 0 297.196 2.319 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1Nc1ncccc1Br ZINC000084212809 642315939 /nfs/dbraw/zinc/31/59/39/642315939.db2.gz IVFUKDZVIAYOGC-PSASIEDQSA-N 1 0 270.174 2.383 10 0 CEAERO CSC(C)(C)CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000122420062 648350303 /nfs/dbraw/zinc/35/03/03/648350303.db2.gz MLMZQGBZYYJJDM-RYUDHWBXSA-N 1 0 287.473 2.156 10 0 CEAERO CC(C)(C)OC(=O)N1CCOc2c(C[NH3+])cccc2C1 ZINC000211299963 651570697 /nfs/dbraw/zinc/57/06/97/651570697.db2.gz PRVXFWPPZMHAEV-UHFFFAOYSA-N 1 0 278.352 2.275 10 0 CEAERO CN(C1CCC([NH3+])CC1)S(=O)(=O)/C=C\c1ccccc1 ZINC000211495024 651658069 /nfs/dbraw/zinc/65/80/69/651658069.db2.gz IOWUESHTCSGCTE-QXMHVHEDSA-N 1 0 294.420 2.189 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1sccc1Cl ZINC000129473073 651977736 /nfs/dbraw/zinc/97/77/36/651977736.db2.gz QMCCSBPKOQAHHN-APPZFPTMSA-N 1 0 258.774 2.272 10 0 CEAERO CO[C@H](c1noc(C[C@@H](C[NH3+])CC(C)C)n1)C1CC1 ZINC000132658859 652543311 /nfs/dbraw/zinc/54/33/11/652543311.db2.gz IEYVJOMWLKJIAO-GWCFXTLKSA-N 1 0 267.373 2.331 10 0 CEAERO O=C(NC[C@H]1CC[NH2+]C1)Nc1ccc(Cl)cc1 ZINC000133711857 652706447 /nfs/dbraw/zinc/70/64/47/652706447.db2.gz YXXAMQGOQZQIAD-VIFPVBQESA-N 1 0 253.733 2.071 10 0 CEAERO [NH3+]C1CC(CNC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000216586710 652990454 /nfs/dbraw/zinc/99/04/54/652990454.db2.gz FDLJIRBIEOYMJI-LIZLNQBYSA-N 1 0 278.318 2.209 10 0 CEAERO CC(=O)Nc1ccc(NC(=O)[C@@]2(C)CCCC[NH2+]2)cc1C ZINC000136155788 653046508 /nfs/dbraw/zinc/04/65/08/653046508.db2.gz CJXQWFPYSBCEAQ-MRXNPFEDSA-N 1 0 289.379 2.424 10 0 CEAERO Fc1cc(OCC[N+]23CCN(CC2)CC3)ccc1Cl ZINC000190292929 717157717 /nfs/dbraw/zinc/15/77/17/717157717.db2.gz KFBOZLLUCSUKJF-UHFFFAOYSA-N 1 0 285.770 2.004 10 0 CEAERO C[NH2+][C@H]1CCC[C@@H]1[S@](=O)Cc1ccccc1C ZINC000081997295 177916201 /nfs/dbraw/zinc/91/62/01/177916201.db2.gz RAQSYVVZXNUPCL-ZQIUZPCESA-N 1 0 251.395 2.384 10 0 CEAERO Cc1nc2ccccc2nc1N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261809328 282088591 /nfs/dbraw/zinc/08/85/91/282088591.db2.gz SBCVUAKCMXWUPD-RWMBFGLXSA-N 1 0 268.364 2.112 10 0 CEAERO O[C@@H]1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000124549381 187142812 /nfs/dbraw/zinc/14/28/12/187142812.db2.gz AJMOYKCTSFIHLO-QLFBSQMISA-N 1 0 253.386 2.181 10 0 CEAERO COCc1nc(-c2ccc(OC)cc2)sc1C[NH3+] ZINC000082446427 178023774 /nfs/dbraw/zinc/02/37/74/178023774.db2.gz HGTSWTRHNYRKDX-UHFFFAOYSA-N 1 0 264.350 2.424 10 0 CEAERO [NH3+]C[C@@H](O[C@H]1CCOC1)c1cccc(Br)c1 ZINC000082452970 178031205 /nfs/dbraw/zinc/03/12/05/178031205.db2.gz PFEGYZCNJXLPCS-NWDGAFQWSA-N 1 0 286.169 2.254 10 0 CEAERO [NH3+]C[C@@H](O[C@H]1CCOC1)c1ccc(Br)s1 ZINC000082458964 178034094 /nfs/dbraw/zinc/03/40/94/178034094.db2.gz SURHFVZMXMLIRR-JGVFFNPUSA-N 1 0 292.198 2.316 10 0 CEAERO [NH3+]Cc1ccc(OC2CC2)cc1I ZINC000095738039 185024176 /nfs/dbraw/zinc/02/41/76/185024176.db2.gz TVEAYPIPLNYSKR-UHFFFAOYSA-N 1 0 289.116 2.291 10 0 CEAERO OC[C@@H]1C[N@H+](C[C@H]2CCCC2(F)F)CCC1(F)F ZINC000336266712 365541211 /nfs/dbraw/zinc/54/12/11/365541211.db2.gz HKPGPKMQIJYIOC-ZJUUUORDSA-N 1 0 269.282 2.371 10 0 CEAERO O[C@@H]1C[NH2+]C[C@@H]1Sc1cc(Cl)ccc1Cl ZINC000082525101 178088522 /nfs/dbraw/zinc/08/85/22/178088522.db2.gz UUTHAHSWDPJFNH-SCZZXKLOSA-N 1 0 264.177 2.418 10 0 CEAERO [NH3+][C@H](Cc1ccccc1)[C@H](O)c1cc(O)cc(F)c1 ZINC000095790308 185028136 /nfs/dbraw/zinc/02/81/36/185028136.db2.gz TXIKOZLIPPFWSH-HUUCEWRRSA-N 1 0 261.296 2.135 10 0 CEAERO COc1cc([C@H]([NH3+])C2CCOCC2)cc(OC)c1OC ZINC000095825611 185028614 /nfs/dbraw/zinc/02/86/14/185028614.db2.gz KHQRBKHOURAFEQ-CQSZACIVSA-N 1 0 281.352 2.139 10 0 CEAERO [NH3+][C@H](c1ccc(Br)cn1)C1CCOCC1 ZINC000095825189 185029063 /nfs/dbraw/zinc/02/90/63/185029063.db2.gz JUOOSNMPFILDKJ-NSHDSACASA-N 1 0 271.158 2.271 10 0 CEAERO Cc1ccccc1[C@H]([NH2+]CC(N)=O)c1ccccc1 ZINC000095862529 185029642 /nfs/dbraw/zinc/02/96/42/185029642.db2.gz KKIQGWZCCFCUMC-MRXNPFEDSA-N 1 0 254.333 2.159 10 0 CEAERO CN(C)c1nnc(SCC[NH2+]C(C)(C)C)s1 ZINC000082580155 178118988 /nfs/dbraw/zinc/11/89/88/178118988.db2.gz YUOKSWXOBYAEER-UHFFFAOYSA-N 1 0 260.432 2.084 10 0 CEAERO C[N@H+]1[C@@H]2CC[C@H]1CC(CNC(=O)OC(C)(C)C)C2 ZINC000082610232 178126071 /nfs/dbraw/zinc/12/60/71/178126071.db2.gz KOIPCSZFSPWADF-YOGCLGLASA-N 1 0 254.374 2.384 10 0 CEAERO Cc1ncsc1CN(C)c1ncc(C[NH3+])s1 ZINC000082634424 178141738 /nfs/dbraw/zinc/14/17/38/178141738.db2.gz GQRCSCZDWZLJCL-UHFFFAOYSA-N 1 0 254.384 2.003 10 0 CEAERO [NH3+]Cc1cccc(Oc2ncc(Br)cn2)c1 ZINC000082662670 178151676 /nfs/dbraw/zinc/15/16/76/178151676.db2.gz VJTWTFCECYVHJR-UHFFFAOYSA-N 1 0 280.125 2.490 10 0 CEAERO CC[NH+](CC)CCNC(=O)C(C)(C)c1ccc(N)cc1 ZINC000082698218 178198192 /nfs/dbraw/zinc/19/81/92/178198192.db2.gz GXVAYNKIXBIYCM-UHFFFAOYSA-N 1 0 277.412 2.004 10 0 CEAERO c1nn(Cc2ccccc2)cc1N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000082713951 178227564 /nfs/dbraw/zinc/22/75/64/178227564.db2.gz BIMFOLXLPRJATH-QGZVFWFLSA-N 1 0 282.391 2.121 10 0 CEAERO CN1c2ccc([C@H]([NH3+])c3ccc(F)cc3)cc2CC1=O ZINC000034940660 361799089 /nfs/dbraw/zinc/79/90/89/361799089.db2.gz WXHWIRVHROOTBO-MRXNPFEDSA-N 1 0 270.307 2.393 10 0 CEAERO C[N@@H+](Cc1ccccc1N)C[C@@H](O)c1ccccc1 ZINC000033979553 361786980 /nfs/dbraw/zinc/78/69/80/361786980.db2.gz DVGIYWMJXYCEFJ-MRXNPFEDSA-N 1 0 256.349 2.434 10 0 CEAERO Cc1nnc([C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3ccco3)O2)o1 ZINC000096057382 185078185 /nfs/dbraw/zinc/07/81/85/185078185.db2.gz YNOPTMHVVVFYHZ-MCIONIFRSA-N 1 0 289.335 2.466 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)/C=C\c1ccc(O)cc1 ZINC000492491356 290619536 /nfs/dbraw/zinc/61/95/36/290619536.db2.gz PTFVUHDGPUEDTE-YYRKOSNBSA-N 1 0 290.407 2.498 10 0 CEAERO Cc1nc(-c2cccc(F)c2)nc(N2CC[NH2+]CC2)c1C ZINC000035550307 361821619 /nfs/dbraw/zinc/82/16/19/361821619.db2.gz VRUHFSWWWJDZQO-UHFFFAOYSA-N 1 0 286.354 2.309 10 0 CEAERO C[NH+](C)[C@@H]1CCN(Cc2cccnc2)[C@H]1Cc1cccnc1 ZINC000096070019 185085867 /nfs/dbraw/zinc/08/58/67/185085867.db2.gz AMCTVOXQGGBMPD-MSOLQXFVSA-N 1 0 296.418 2.224 10 0 CEAERO O=C(N[C@@H]1CCC12CCCC2)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000336540818 365619424 /nfs/dbraw/zinc/61/94/24/365619424.db2.gz BWASUKNXFSMWEZ-LSDHHAIUSA-N 1 0 289.423 2.365 10 0 CEAERO C[C@H]([NH3+])[C@@H](CO)Sc1cccc(Br)c1 ZINC000082988169 178332499 /nfs/dbraw/zinc/33/24/99/178332499.db2.gz SPUBOHSHPXKUMP-OIBJUYFYSA-N 1 0 276.199 2.249 10 0 CEAERO COc1cc(Cl)c([C@@H](O)[C@H]2CCC[NH2+]2)cc1OC ZINC000083157363 178344331 /nfs/dbraw/zinc/34/43/31/178344331.db2.gz OUEOMWVGPGRWMQ-ZWNOBZJWSA-N 1 0 271.744 2.143 10 0 CEAERO CCC[NH2+][C@](C)(CO)CSc1nc(C)cs1 ZINC000082903499 178329362 /nfs/dbraw/zinc/32/93/62/178329362.db2.gz JTWGDHBQWMEQST-LLVKDONJSA-N 1 0 260.428 2.294 10 0 CEAERO [NH3+][C@@]1(Cc2sccc2Br)CCOC1 ZINC000083186574 178351768 /nfs/dbraw/zinc/35/17/68/178351768.db2.gz HHWLUXSOKUXSSE-SECBINFHSA-N 1 0 262.172 2.171 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C)CN1CCc1cccc(F)c1 ZINC000083383571 178386115 /nfs/dbraw/zinc/38/61/15/178386115.db2.gz UFSBPDFKWPKIOA-SWLSCSKDSA-N 1 0 250.361 2.441 10 0 CEAERO COCc1nc(C[NH2+]CC[C@@H]2CC2(F)F)cs1 ZINC000621378295 349587479 /nfs/dbraw/zinc/58/74/79/349587479.db2.gz SMKLTADQHMPWNF-MRVPVSSYSA-N 1 0 262.325 2.424 10 0 CEAERO COc1ccc([C@@H]2C[C@@H]2C(=O)NCCCC[NH+](C)C)cc1 ZINC000096771707 185111975 /nfs/dbraw/zinc/11/19/75/185111975.db2.gz BOJQSIXXWHNBDW-HOTGVXAUSA-N 1 0 290.407 2.257 10 0 CEAERO C[NH+](C)C[C@H]1CN(C(=O)C[C@H]2CCCCC2(C)C)CCO1 ZINC000152082236 282136841 /nfs/dbraw/zinc/13/68/41/282136841.db2.gz UKYUGDAKOOBILI-CABCVRRESA-N 1 0 296.455 2.382 10 0 CEAERO [NH3+]Cc1ccc2nc([C@@H](O)c3ccccc3)[nH]c2c1 ZINC000096874724 185119033 /nfs/dbraw/zinc/11/90/33/185119033.db2.gz UFRNEKDQAPZEBE-AWEZNQCLSA-N 1 0 253.305 2.103 10 0 CEAERO [NH3+][C@@H](CO)c1cc2cc(Br)ccc2o1 ZINC000096884245 185120642 /nfs/dbraw/zinc/12/06/42/185120642.db2.gz HFVIHPADTPQABW-QMMMGPOBSA-N 1 0 256.099 2.187 10 0 CEAERO CC[N@H+](C[C@H]1CC(c2ccccc2)=NO1)CC(C)(C)O ZINC000036146465 361831714 /nfs/dbraw/zinc/83/17/14/361831714.db2.gz OBXDFVZPYKUTBF-CQSZACIVSA-N 1 0 276.380 2.272 10 0 CEAERO C[C@@H](CCCC[NH3+])c1ccc(S(C)(=O)=O)cc1 ZINC000096890860 185123772 /nfs/dbraw/zinc/12/37/72/185123772.db2.gz HWQGBBHZZPFNCR-NSHDSACASA-N 1 0 255.383 2.323 10 0 CEAERO C[C@H]([NH2+]CC(=O)Nc1c(F)cccc1F)[C@@H]1CCCO1 ZINC000036823870 361861195 /nfs/dbraw/zinc/86/11/95/361861195.db2.gz CVXGIRHRUJWJGW-CABZTGNLSA-N 1 0 284.306 2.060 10 0 CEAERO CC(C)[C@@H](C)[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000036954898 361873595 /nfs/dbraw/zinc/87/35/95/361873595.db2.gz PJCRLQJXTWJSMM-GHMZBOCLSA-N 1 0 270.398 2.029 10 0 CEAERO CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000037044267 361891616 /nfs/dbraw/zinc/89/16/16/361891616.db2.gz LWSUAZCLEBEVMB-AEJSXWLSSA-N 1 0 266.307 2.207 10 0 CEAERO CN(C)c1c(Cl)cccc1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000037003946 361882045 /nfs/dbraw/zinc/88/20/45/361882045.db2.gz QSCQGSQQYQTWAB-JTQLQIEISA-N 1 0 281.787 2.344 10 0 CEAERO C[C@@H](NC(=O)C1([NH3+])CCCC1)c1ccc(F)c(F)c1 ZINC000037616364 361912692 /nfs/dbraw/zinc/91/26/92/361912692.db2.gz ZDZOIXKVCSGEOC-SECBINFHSA-N 1 0 268.307 2.414 10 0 CEAERO C[N@@H+]1CC[C@@]2(C1)C[C@H](O)c1cc(Br)ccc1O2 ZINC000097004180 185150627 /nfs/dbraw/zinc/15/06/27/185150627.db2.gz CYXSQJHHFFYTMC-AAEUAGOBSA-N 1 0 298.180 2.339 10 0 CEAERO C[N@@H+]1CCC[C@@]2(C[C@H](O)c3ccc(F)cc3O2)C1 ZINC000097005835 185150859 /nfs/dbraw/zinc/15/08/59/185150859.db2.gz BKRRGMFRMYBNIL-GXTWGEPZSA-N 1 0 251.301 2.106 10 0 CEAERO COc1cc(Cl)c(C)cc1-n1cncc1CC[NH3+] ZINC000097009558 185151373 /nfs/dbraw/zinc/15/13/73/185151373.db2.gz HWOMAXDWQCMATP-UHFFFAOYSA-N 1 0 265.744 2.344 10 0 CEAERO Brc1ccc(Cn2cncc2C2C[NH2+]C2)cc1 ZINC000097013316 185151633 /nfs/dbraw/zinc/15/16/33/185151633.db2.gz ZDJONZMVRRTUCH-UHFFFAOYSA-N 1 0 292.180 2.381 10 0 CEAERO CCOCc1nc(NC2CCC(C)CC2)cc(NN)[nH+]1 ZINC000097030929 185154829 /nfs/dbraw/zinc/15/48/29/185154829.db2.gz KTXULRZOQXKZOI-UHFFFAOYSA-N 1 0 279.388 2.289 10 0 CEAERO C[C@H]1CN(c2nc3ccc(N)cc3s2)C[C@@H]1[NH+](C)C ZINC000123469803 539176836 /nfs/dbraw/zinc/17/68/36/539176836.db2.gz AHRPPIKEHIZQIO-CABZTGNLSA-N 1 0 276.409 2.265 10 0 CEAERO Clc1cc(C2CCC2)cc2nc(C3C[NH2+]C3)nn21 ZINC000725246377 539191873 /nfs/dbraw/zinc/19/18/73/539191873.db2.gz XINHMHLLRLLQQP-UHFFFAOYSA-N 1 0 262.744 2.337 10 0 CEAERO Cc1cc2c(c(Br)c1)NC[C@]21C[C@@H]1[NH3+] ZINC000725247755 539192513 /nfs/dbraw/zinc/19/25/13/539192513.db2.gz XBYWERQEVHGQDI-GXSJLCMTSA-N 1 0 253.143 2.152 10 0 CEAERO C[C@H](c1cnn(CC2CCC2)c1)N1CC[NH2+]C[C@@H]1C ZINC000725264207 539212482 /nfs/dbraw/zinc/21/24/82/539212482.db2.gz GOWBTFXDWVFLOU-QWHCGFSZSA-N 1 0 262.401 2.038 10 0 CEAERO C[C@H](c1cnn(CC2CCC2)c1)N1CC[NH2+][C@H](C)C1 ZINC000725264404 539212902 /nfs/dbraw/zinc/21/29/02/539212902.db2.gz LVCXTEAHTHFEDP-CHWSQXEVSA-N 1 0 262.401 2.038 10 0 CEAERO CC(C)[C@@H](C)C(=O)N1CCC2(CCC[C@H]2[NH3+])CC1 ZINC000725265162 539213076 /nfs/dbraw/zinc/21/30/76/539213076.db2.gz KNCKJBRWUUQGPK-CHWSQXEVSA-N 1 0 252.402 2.399 10 0 CEAERO Clc1ccc(Cl)c(-c2cnnn2C2C[NH2+]C2)c1 ZINC000725266211 539213399 /nfs/dbraw/zinc/21/33/99/539213399.db2.gz YIINYCPZNZDOFO-UHFFFAOYSA-N 1 0 269.135 2.396 10 0 CEAERO CCCS(=O)(=O)[C@@H]1CC[C@H](C(C)C)C[C@@H]1[NH2+]C ZINC000725265961 539213409 /nfs/dbraw/zinc/21/34/09/539213409.db2.gz ADAGLHOACKGWIP-RWMBFGLXSA-N 1 0 261.431 2.224 10 0 CEAERO COCC[NH2+]Cc1cc(Cl)nc(C(F)(F)F)c1 ZINC000725270384 539215262 /nfs/dbraw/zinc/21/52/62/539215262.db2.gz LLNLCGIQUOJLPO-UHFFFAOYSA-N 1 0 268.666 2.490 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H](C)c2ccc(OC)cc2)C1 ZINC000092053062 539229438 /nfs/dbraw/zinc/22/94/38/539229438.db2.gz SSSMZTXFFLNQLU-XJKSGUPXSA-N 1 0 278.396 2.067 10 0 CEAERO COC[C@@H](C)C[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000131700263 539263356 /nfs/dbraw/zinc/26/33/56/539263356.db2.gz QTSHDUAPGOWDKL-ZFWWWQNUSA-N 1 0 250.386 2.161 10 0 CEAERO Cc1[nH]c2ccc(C(=O)N3CCC[C@H]([NH3+])C3)cc2c1C ZINC000041028127 362013725 /nfs/dbraw/zinc/01/37/25/362013725.db2.gz GIXNBRQDVKPXOT-ZDUSSCGKSA-N 1 0 271.364 2.348 10 0 CEAERO Oc1cccc([C@H]2CN(Cc3cccnc3)CCO2)c1 ZINC000126560499 187247998 /nfs/dbraw/zinc/24/79/98/187247998.db2.gz IJDIXPZRBWTQBG-MRXNPFEDSA-N 1 0 270.332 2.361 10 0 CEAERO N[C@H](C[NH3+])c1ccc(OC(F)(F)F)c(Cl)c1 ZINC000044470571 362154242 /nfs/dbraw/zinc/15/42/42/362154242.db2.gz XOMPISFHVCAGSJ-SSDOTTSWSA-N 1 0 254.639 2.197 10 0 CEAERO C[NH+](C)CCNc1ccc(N)cc1Br ZINC000043601456 362149306 /nfs/dbraw/zinc/14/93/06/362149306.db2.gz CQEWAKVAUOGACP-UHFFFAOYSA-N 1 0 258.163 2.005 10 0 CEAERO [NH3+][C@@H](CCO)c1c(F)cc(Br)cc1F ZINC000044235609 362150982 /nfs/dbraw/zinc/15/09/82/362150982.db2.gz SLLWSLBNEUJEGC-QMMMGPOBSA-N 1 0 266.085 2.110 10 0 CEAERO Cc1cc(C)c(O)c(NC(=O)C2CCC([NH3+])CC2)c1 ZINC000094574365 539301517 /nfs/dbraw/zinc/30/15/17/539301517.db2.gz UURFMCDLIKKCBD-UHFFFAOYSA-N 1 0 262.353 2.465 10 0 CEAERO C[C@@H](NC(=O)C1([NH3+])CCOCC1)c1ccccc1Cl ZINC000127870782 187338515 /nfs/dbraw/zinc/33/85/15/187338515.db2.gz SBPRUGCLVIHJEV-SNVBAGLBSA-N 1 0 282.771 2.025 10 0 CEAERO C[NH+](C)[C@H]1CCCC[C@@H]1OC(=O)c1ccc(N)cc1O ZINC000033875447 343418597 /nfs/dbraw/zinc/41/85/97/343418597.db2.gz DYZKHUPHFRSPBJ-JSGCOSHPSA-N 1 0 278.352 2.004 10 0 CEAERO CC(C)C[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000037029982 343425341 /nfs/dbraw/zinc/42/53/41/343425341.db2.gz XXBQEHOZBAWPHG-WCQYABFASA-N 1 0 292.379 2.008 10 0 CEAERO [NH3+]C1CCC(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000037623004 343430485 /nfs/dbraw/zinc/43/04/85/343430485.db2.gz AGUSZRJSBFSDEH-UHFFFAOYSA-N 1 0 298.289 2.464 10 0 CEAERO Cc1cc([C@@H]2CCCN2C(=O)C2CCC([NH3+])CC2)on1 ZINC000037820364 343431501 /nfs/dbraw/zinc/43/15/01/343431501.db2.gz DRUAOLGHIRUVKD-BPCQOVAHSA-N 1 0 277.368 2.164 10 0 CEAERO CCOCCCC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000047061347 362196650 /nfs/dbraw/zinc/19/66/50/362196650.db2.gz UCCLLWAXWRVXMS-OAHLLOKOSA-N 1 0 278.396 2.222 10 0 CEAERO COCCC[NH2+]C[C@H](O)COc1cccc2ccccc21 ZINC000039234978 343436188 /nfs/dbraw/zinc/43/61/88/343436188.db2.gz LRLIOINDRYOXES-HNNXBMFYSA-N 1 0 289.375 2.206 10 0 CEAERO CCCCOc1cccc(CC[NH2+]CC(=O)N(C)C)c1 ZINC000043201527 343462172 /nfs/dbraw/zinc/46/21/72/343462172.db2.gz GRHBODILPPXVKN-UHFFFAOYSA-N 1 0 278.396 2.086 10 0 CEAERO C[NH2+][C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000048150187 362246732 /nfs/dbraw/zinc/24/67/32/362246732.db2.gz KEOPOUOJEMVDJH-SSDOTTSWSA-N 1 0 262.231 2.132 10 0 CEAERO Cc1noc(C)c1CC[N@@H+]1CCC[C@@H]1CCCO ZINC000336703883 365770485 /nfs/dbraw/zinc/77/04/85/365770485.db2.gz IQJMHAVUDARCMZ-CYBMUJFWSA-N 1 0 252.358 2.071 10 0 CEAERO C[C@@H](CCCC[NH3+])Nc1ncncc1Br ZINC000336715289 365778327 /nfs/dbraw/zinc/77/83/27/365778327.db2.gz WMUWQOGLZIOHND-QMMMGPOBSA-N 1 0 273.178 2.169 10 0 CEAERO C[C@H](CCCC[NH3+])Nc1ccncc1Br ZINC000336711770 365776498 /nfs/dbraw/zinc/77/64/98/365776498.db2.gz UQFSPLRUEIPWKI-SECBINFHSA-N 1 0 272.190 2.195 10 0 CEAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000295077461 199332732 /nfs/dbraw/zinc/33/27/32/199332732.db2.gz RQHREOKMIUXUNX-CJNGLKHVSA-N 1 0 271.364 2.218 10 0 CEAERO [NH3+]CCCCCCOCc1ccc2c(c1)OCO2 ZINC000071290560 343800912 /nfs/dbraw/zinc/80/09/12/343800912.db2.gz XVDDYHZFZUDZHE-UHFFFAOYSA-N 1 0 251.326 2.451 10 0 CEAERO C[C@@H](c1ccc(F)c(Br)c1)N1CC([NH3+])C1 ZINC000083634477 178651894 /nfs/dbraw/zinc/65/18/94/178651894.db2.gz YGFAKEYQQUQAOV-ZETCQYMHSA-N 1 0 273.149 2.292 10 0 CEAERO O[C@H](C[NH2+]CCOC1CCCCC1)COCc1ccco1 ZINC000111638580 344271498 /nfs/dbraw/zinc/27/14/98/344271498.db2.gz UWFKEUCNGVFKIP-CQSZACIVSA-N 1 0 297.395 2.096 10 0 CEAERO [NH3+]CC[C@@H](O)c1ccc(Cl)cc1Br ZINC000126872213 344327237 /nfs/dbraw/zinc/32/72/37/344327237.db2.gz CXOKJJJSRXFELH-SECBINFHSA-N 1 0 264.550 2.485 10 0 CEAERO C[C@@H](C[NH3+])CSCCCN1C(=O)c2ccccc2C1=O ZINC000127842437 344332494 /nfs/dbraw/zinc/33/24/94/344332494.db2.gz NXBWRKKKMISQPI-NSHDSACASA-N 1 0 292.404 2.001 10 0 CEAERO C[C@H](C[NH+](C)C)Nc1cccc(Br)n1 ZINC000130659702 344354433 /nfs/dbraw/zinc/35/44/33/344354433.db2.gz SOSONDDELPMUAJ-MRVPVSSYSA-N 1 0 258.163 2.206 10 0 CEAERO CN[C@@H](C[NH3+])c1ccc(Cl)c(Br)c1 ZINC000137161625 344386788 /nfs/dbraw/zinc/38/67/88/344386788.db2.gz IMXNGKKYMRCQGU-VIFPVBQESA-N 1 0 263.566 2.322 10 0 CEAERO CCOC(=O)[C@H]1CN(Cc2ccccc2)CC(C)(C)C1=O ZINC000140105946 344396688 /nfs/dbraw/zinc/39/66/88/344396688.db2.gz LDMQAVIBTBSPFI-AWEZNQCLSA-N 1 0 289.375 2.277 10 0 CEAERO C[C@@]1(C[NH2+]C[C@@H](O)COCc2ccco2)CCCS1 ZINC000155658803 344438732 /nfs/dbraw/zinc/43/87/32/344438732.db2.gz SWRRPIYZSBSEAT-OCCSQVGLSA-N 1 0 285.409 2.032 10 0 CEAERO C[C@@H](C[NH3+])Oc1ccc(I)cc1 ZINC000160237839 344457746 /nfs/dbraw/zinc/45/77/46/344457746.db2.gz MIWJPXFSODVZJH-ZETCQYMHSA-N 1 0 277.105 2.017 10 0 CEAERO [NH3+][C@H](C[C@@H]1CCOC1)c1occc1Br ZINC000160851157 344461869 /nfs/dbraw/zinc/46/18/69/344461869.db2.gz OKCPMHABRJCCSV-IONNQARKSA-N 1 0 260.131 2.469 10 0 CEAERO C[C@@H]1C[C@@H]1NC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000170839418 344491667 /nfs/dbraw/zinc/49/16/67/344491667.db2.gz GDEDKELKCZUUSP-KGLIPLIRSA-N 1 0 267.417 2.206 10 0 CEAERO CCCCS[C@H](C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170864615 344491899 /nfs/dbraw/zinc/49/18/99/344491899.db2.gz FLIKDMSABDSWOU-NEPJUHHUSA-N 1 0 258.431 2.071 10 0 CEAERO CCC[NH+]1CCC(N(C)C(=O)N[C@@H](C)[C@@H]2CCCO2)CC1 ZINC000171042483 344494424 /nfs/dbraw/zinc/49/44/24/344494424.db2.gz MOZCMCCUTJSERJ-ZFWWWQNUSA-N 1 0 297.443 2.070 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]2CN(c3ncnc4ccccc43)C[C@@H]21 ZINC000230134966 344571187 /nfs/dbraw/zinc/57/11/87/344571187.db2.gz RCNNHXSCGQIFEJ-KWCYVHTRSA-N 1 0 268.364 2.193 10 0 CEAERO CCCOC(=O)Cc1c2ccccn2c2c1CC[C@@H]([NH3+])C2 ZINC000221285264 344539062 /nfs/dbraw/zinc/53/90/62/344539062.db2.gz XKBHLUMUPUCFGR-GFCCVEGCSA-N 1 0 286.375 2.251 10 0 CEAERO CC[N@@H+]1CCC[C@](O)(C(F)(F)Br)CC1 ZINC000225653326 344546824 /nfs/dbraw/zinc/54/68/24/344546824.db2.gz CJNQGCQSESYEAB-MRVPVSSYSA-N 1 0 272.133 2.211 10 0 CEAERO CN(C(=O)C1(c2ccccc2)CC1)[C@H]1CCC[NH2+]CC1 ZINC000226457968 344550263 /nfs/dbraw/zinc/55/02/63/344550263.db2.gz WZXLPXFAIIYFGO-HNNXBMFYSA-N 1 0 272.392 2.319 10 0 CEAERO CCc1ccc(S(=O)(=O)N(C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000226463231 344550297 /nfs/dbraw/zinc/55/02/97/344550297.db2.gz BNFVXYUQERLUQF-CQSZACIVSA-N 1 0 296.436 2.012 10 0 CEAERO [NH3+][C@@H]1CCN(c2cc(F)ccc2Br)C1 ZINC000232248509 344577358 /nfs/dbraw/zinc/57/73/58/344577358.db2.gz XXMPJKFKHDDUJP-MRVPVSSYSA-N 1 0 259.122 2.126 10 0 CEAERO CC[C@H]([NH3+])[C@H](O)c1ccc(F)cc1Br ZINC000234061549 344583329 /nfs/dbraw/zinc/58/33/29/344583329.db2.gz JDCYQCUYYMQSLU-VHSXEESVSA-N 1 0 262.122 2.359 10 0 CEAERO CCOCCN1CC[N@@H+]([C@@H]2C=CCCC2)C[C@@H]1C ZINC000246292400 344615811 /nfs/dbraw/zinc/61/58/11/344615811.db2.gz VDYHDFDUCVPING-LSDHHAIUSA-N 1 0 252.402 2.138 10 0 CEAERO CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H]1CCCO ZINC000052761856 362473737 /nfs/dbraw/zinc/47/37/37/362473737.db2.gz IZCZFZPZUYNZMT-HUUCEWRRSA-N 1 0 282.428 2.014 10 0 CEAERO COc1ccc(OC)c(C[N@@H+]2CCC[C@H]2CCCO)c1 ZINC000052762708 362474155 /nfs/dbraw/zinc/47/41/55/362474155.db2.gz JEMUKPZQHBZKQN-AWEZNQCLSA-N 1 0 279.380 2.441 10 0 CEAERO [NH3+]Cc1cncc(Br)c1OC(F)(F)F ZINC000238570827 344606508 /nfs/dbraw/zinc/60/65/08/344606508.db2.gz JXQALYINUSBJDX-UHFFFAOYSA-N 1 0 271.036 2.201 10 0 CEAERO [NH3+]Cc1ccnc(Br)c1OC(F)(F)F ZINC000238689385 344607506 /nfs/dbraw/zinc/60/75/06/344607506.db2.gz UKSQUFLBODNQNV-UHFFFAOYSA-N 1 0 271.036 2.201 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)Cc1coc(Br)c1 ZINC000306508268 344713795 /nfs/dbraw/zinc/71/37/95/344713795.db2.gz AIDFAFWXUOADMI-DTWKUNHWSA-N 1 0 272.142 2.281 10 0 CEAERO Cc1cc([C@H](C)NC(N)=[NH2+])sc1Br ZINC000306574064 344714625 /nfs/dbraw/zinc/71/46/25/344714625.db2.gz IOECTOSPUJOTCI-YFKPBYRVSA-N 1 0 262.176 2.363 10 0 CEAERO C[C@@]1(C(=O)N2CCc3ccsc3C2)CCCC[NH2+]1 ZINC000335551233 212255396 /nfs/dbraw/zinc/25/53/96/212255396.db2.gz CMRSKYBEAZOGBU-AWEZNQCLSA-N 1 0 264.394 2.165 10 0 CEAERO [NH3+][C@H](Cc1ccccc1Br)[C@H]1CCCO1 ZINC000083712087 178722397 /nfs/dbraw/zinc/72/23/97/178722397.db2.gz LRXTXXKZAICZHR-VXGBXAGGSA-N 1 0 270.170 2.498 10 0 CEAERO Cc1cc(C)c(C#N)c(N2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000383435051 344827401 /nfs/dbraw/zinc/82/74/01/344827401.db2.gz YFTHEAODLKOWNT-OKILXGFUSA-N 1 0 270.380 2.006 10 0 CEAERO OCCN1CCC[C@H]([NH2+]Cc2ccc(F)cc2Cl)C1 ZINC000384749157 344828997 /nfs/dbraw/zinc/82/89/97/344828997.db2.gz RXBFSXKJFKKKHW-ZDUSSCGKSA-N 1 0 286.778 2.025 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]C2CCC(CSC)CC2)C1 ZINC000385846796 344830955 /nfs/dbraw/zinc/83/09/55/344830955.db2.gz PADMUUVMZHLBHN-NRXISQOPSA-N 1 0 286.485 2.219 10 0 CEAERO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)C[C@H](C)O1 ZINC000668101318 539415211 /nfs/dbraw/zinc/41/52/11/539415211.db2.gz NJGIWGDJJURZIG-CUZKYEQNSA-N 1 0 253.386 2.347 10 0 CEAERO Cc1cnc(CC[N@@H+]2CCC[C@@H]2CCCO)c(C)c1 ZINC000401106121 344866777 /nfs/dbraw/zinc/86/67/77/344866777.db2.gz GZBDDAXWBHGUCM-OAHLLOKOSA-N 1 0 262.397 2.478 10 0 CEAERO C[NH2+][C@@H](C[S@](=O)c1ccc(F)c(F)c1)C1CC1 ZINC000084032391 178773059 /nfs/dbraw/zinc/77/30/59/178773059.db2.gz IFRBITPZQASZDY-YVEFUNNKSA-N 1 0 259.321 2.070 10 0 CEAERO Cc1sc(Br)cc1[C@@H]([NH3+])CCCC(N)=O ZINC000084007009 178770575 /nfs/dbraw/zinc/77/05/75/178770575.db2.gz ZCBCHXBBKKBDHT-QMMMGPOBSA-N 1 0 291.214 2.474 10 0 CEAERO C[NH2+][C@H](C[S@@](C)=O)C12CC3CC(CC(C3)C1)C2 ZINC000084045908 178777961 /nfs/dbraw/zinc/77/79/61/178777961.db2.gz JBYZDLRPBCYROR-POADDARZSA-N 1 0 255.427 2.169 10 0 CEAERO CCC[C@@](C[NH3+])(C[C@@H](C)O)c1cccc(OC)c1 ZINC000584597094 344961468 /nfs/dbraw/zinc/96/14/68/344961468.db2.gz ZNSQIMFHMAAPQL-DOMZBBRYSA-N 1 0 251.370 2.463 10 0 CEAERO COc1cccc([C@@]23CC[C@@H](C2=O)[N@H+](C)CCC3)c1 ZINC000584624923 344968434 /nfs/dbraw/zinc/96/84/34/344968434.db2.gz MXVOTZSYNXRBMF-GOEBONIOSA-N 1 0 259.349 2.390 10 0 CEAERO O=C1CCCCN1c1ccc(N2CCC[NH2+]CC2)cc1 ZINC000584627106 344968800 /nfs/dbraw/zinc/96/88/00/344968800.db2.gz HERWCZDWMAOUTF-UHFFFAOYSA-N 1 0 273.380 2.003 10 0 CEAERO CC(C)(C)[S@](=O)N[C@H]1C(F)(F)CCC12CC[NH2+]CC2 ZINC000584627503 344968804 /nfs/dbraw/zinc/96/88/04/344968804.db2.gz TXGRWMPPONDDSW-DGIBIBHMSA-N 1 0 294.411 2.206 10 0 CEAERO C[N@@H+]1C[C@H](O)C[C@@H](C(O)(c2ccccc2)c2ccccc2)C1 ZINC000584631780 344969918 /nfs/dbraw/zinc/96/99/18/344969918.db2.gz VYIWRCQCGWIWKO-QZTJIDSGSA-N 1 0 297.398 2.235 10 0 CEAERO COc1cc(Cl)ccc1[C@H]1CC[C@@H](C[NH2+]CCO)O1 ZINC000584647502 344972841 /nfs/dbraw/zinc/97/28/41/344972841.db2.gz BBIAPVWYKPYAAH-WCQYABFASA-N 1 0 285.771 2.151 10 0 CEAERO [NH3+]CCc1nnc(Cc2ccccc2Cl)s1 ZINC000084117684 178796224 /nfs/dbraw/zinc/79/62/24/178796224.db2.gz CDRMOUFXGVOCHF-UHFFFAOYSA-N 1 0 253.758 2.284 10 0 CEAERO C[NH2+][C@H](C)c1cccc(SC[C@H]2CNC(=O)O2)c1 ZINC000084124499 178798652 /nfs/dbraw/zinc/79/86/52/178798652.db2.gz JTGDATKYIKXHHM-MWLCHTKSSA-N 1 0 266.366 2.168 10 0 CEAERO Cc1c(I)ccc2c(N)c(N)c[nH+]c12 ZINC000584882265 344996348 /nfs/dbraw/zinc/99/63/48/344996348.db2.gz YEMIBVKAKQNOMI-UHFFFAOYSA-N 1 0 299.115 2.312 10 0 CEAERO Cc1nn(-c2ccccc2)c(C)c1[C@@H](C[NH3+])N(C)C ZINC000053994331 362503926 /nfs/dbraw/zinc/50/39/26/362503926.db2.gz XBBRAPNJUBMSAQ-CQSZACIVSA-N 1 0 258.369 2.051 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000084270773 178837237 /nfs/dbraw/zinc/83/72/37/178837237.db2.gz LJNGKWXPYOAKEQ-PRHODGIISA-N 1 0 291.775 2.380 10 0 CEAERO CC[C@](C)([NH3+])COCc1c(Br)c(C)nn1C ZINC000084271345 178838213 /nfs/dbraw/zinc/83/82/13/178838213.db2.gz ZBWKKARLNITFLC-NSHDSACASA-N 1 0 290.205 2.135 10 0 CEAERO CCC[C@H]([NH3+])Cc1c(Br)c(C)nn1C ZINC000084273681 178839687 /nfs/dbraw/zinc/83/96/87/178839687.db2.gz OLNXXORDBMIPSX-QMMMGPOBSA-N 1 0 260.179 2.161 10 0 CEAERO CC(C)CS(=O)(=O)[C@@H](CC[NH3+])c1ccccc1 ZINC000084269454 178835835 /nfs/dbraw/zinc/83/58/35/178835835.db2.gz GVLIOJYTYASJDM-ZDUSSCGKSA-N 1 0 255.383 2.147 10 0 CEAERO CCS(=O)(=O)[C@H]1C[C@H](c2ccccc2)CC[C@@H]1C[NH3+] ZINC000084269002 178835874 /nfs/dbraw/zinc/83/58/74/178835874.db2.gz YFUDDYJADMPELG-KFWWJZLASA-N 1 0 281.421 2.332 10 0 CEAERO Cc1nn(C)c(C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C)c1Br ZINC000084277150 178840580 /nfs/dbraw/zinc/84/05/80/178840580.db2.gz NLCSAXOYAIWODM-FKTZTGRPSA-N 1 0 286.217 2.407 10 0 CEAERO C[NH2+][C@@H]1CC[C@@H](Cc2c(Br)c(C)nn2C)C1 ZINC000084276868 178840664 /nfs/dbraw/zinc/84/06/64/178840664.db2.gz ZIIJECOCFYGPIU-NXEZZACHSA-N 1 0 286.217 2.422 10 0 CEAERO CCn1nc(C)c(Br)c1C[C@@H](C)C[NH3+] ZINC000084279960 178842574 /nfs/dbraw/zinc/84/25/74/178842574.db2.gz NONUEZVFYYHARV-SSDOTTSWSA-N 1 0 260.179 2.111 10 0 CEAERO CC[C@@H](O)CC[NH2+][C@H]1CCN(CCc2ccccc2)C1 ZINC000127393382 187302134 /nfs/dbraw/zinc/30/21/34/187302134.db2.gz MTZHQEFBUMZDQH-DLBZAZTESA-N 1 0 276.424 2.054 10 0 CEAERO C[NH2+][C@@H](C)C[C@H](C)S(=O)(=O)c1ccc(C)cc1C ZINC000084356523 178867416 /nfs/dbraw/zinc/86/74/16/178867416.db2.gz NPIFHORVTJYKNB-STQMWFEESA-N 1 0 269.410 2.464 10 0 CEAERO Cc1nn([C@H](C)C[C@](C)([NH2+]C(C)C)C(N)=O)cc1Cl ZINC000084365310 178874342 /nfs/dbraw/zinc/87/43/42/178874342.db2.gz WENFLTZMODLQNV-RNCFNFMXSA-N 1 0 286.807 2.038 10 0 CEAERO [NH3+]C1(C2CC2)CN(c2ncc(Cl)cc2Cl)C1 ZINC000084376019 178876883 /nfs/dbraw/zinc/87/68/83/178876883.db2.gz PHCGUMLAVUZEHB-UHFFFAOYSA-N 1 0 258.152 2.316 10 0 CEAERO COCC[NH2+]CC1(Cc2ccncc2Cl)CC1 ZINC000097148284 185549720 /nfs/dbraw/zinc/54/97/20/185549720.db2.gz OBJHORLPWALTNB-UHFFFAOYSA-N 1 0 254.761 2.294 10 0 CEAERO CCCN(CCC)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000057870266 362597644 /nfs/dbraw/zinc/59/76/44/362597644.db2.gz SONAPYDATJWIHK-ZDUSSCGKSA-N 1 0 255.406 2.302 10 0 CEAERO C[NH2+][C@@H](c1cccc(OC)c1OC)[C@@H]1CCOC1 ZINC000097181815 185557262 /nfs/dbraw/zinc/55/72/62/185557262.db2.gz NCABBCYDKNMJSE-ZWNOBZJWSA-N 1 0 251.326 2.001 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH2+]C)[C@@]1(C)CCCS1 ZINC000097217908 185566538 /nfs/dbraw/zinc/56/65/38/185566538.db2.gz VUEDDNJXBZOQMJ-NWDGAFQWSA-N 1 0 279.471 2.075 10 0 CEAERO COCC[NH2+]C[C@@](C)(O)Cc1ccc(C(F)(F)F)cc1 ZINC000097241419 185572299 /nfs/dbraw/zinc/57/22/99/185572299.db2.gz YUKJASUKSVSPIR-ZDUSSCGKSA-N 1 0 291.313 2.235 10 0 CEAERO CCn1nc(C)cc1C[C@@H]([NH3+])c1ccc(C)nc1C ZINC000097281461 185579394 /nfs/dbraw/zinc/57/93/94/185579394.db2.gz JSPBVAJYJOFYRM-OAHLLOKOSA-N 1 0 258.369 2.466 10 0 CEAERO Cc1cc(C[C@H]([NH3+])C2CCC(F)(F)CC2)n(C)n1 ZINC000097273482 185575980 /nfs/dbraw/zinc/57/59/80/185575980.db2.gz CEZFQBCHBCOKPH-LBPRGKRZSA-N 1 0 257.328 2.424 10 0 CEAERO CCC[NH2+][C@@H](Cc1ncnn1C(C)C)C[C@@H](C)COC ZINC000097277554 185576518 /nfs/dbraw/zinc/57/65/18/185576518.db2.gz ZRHMYCTZADNBLP-ZIAGYGMSSA-N 1 0 282.432 2.442 10 0 CEAERO [NH3+][C@@H](c1cncc(F)c1)[C@H]1CCOC2(CCOCC2)C1 ZINC000097311047 185583850 /nfs/dbraw/zinc/58/38/50/185583850.db2.gz MDYKLFPHZRPFPZ-SMDDNHRTSA-N 1 0 280.343 2.196 10 0 CEAERO CCc1nnc(C)cc1[C@H]([NH3+])[C@H]1CCc2cccnc21 ZINC000097305482 185582262 /nfs/dbraw/zinc/58/22/62/185582262.db2.gz OGXRDQVZSZWWNL-IUODEOHRSA-N 1 0 268.364 2.472 10 0 CEAERO [NH3+][C@@H](C[C@H]1CCS(=O)(=O)C1)c1ccc2cccnc2c1 ZINC000097344768 185586688 /nfs/dbraw/zinc/58/66/88/185586688.db2.gz OJPZKSIIBPHGKJ-RISCZKNCSA-N 1 0 290.388 2.059 10 0 CEAERO Cc1cccc(OCC[N@@H+]2CCC[C@@H](n3cncn3)C2)c1 ZINC000171704837 232270269 /nfs/dbraw/zinc/27/02/69/232270269.db2.gz TYKZBBJWLIITBT-OAHLLOKOSA-N 1 0 286.379 2.302 10 0 CEAERO Cc1nn(C)c(C)c1C[C@H]([NH3+])c1ccc2c(c1)CCO2 ZINC000097391537 185597141 /nfs/dbraw/zinc/59/71/41/185597141.db2.gz FPGSCNSJZVLUSM-HNNXBMFYSA-N 1 0 271.364 2.214 10 0 CEAERO Cc1ccccc1[C@H](C)NC(=O)c1c[nH+]ccc1N ZINC000127507895 187311846 /nfs/dbraw/zinc/31/18/46/187311846.db2.gz DHNRJQBCLPBFJA-NSHDSACASA-N 1 0 255.321 2.463 10 0 CEAERO CCc1noc([C@@H](C)N2CC[NH+](CCCSC)CC2)n1 ZINC000173684857 232282078 /nfs/dbraw/zinc/28/20/78/232282078.db2.gz QAPUKBZDOLUFOS-GFCCVEGCSA-N 1 0 298.456 2.064 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccn(C)n1)[C@H]1CCSC1 ZINC000097380280 185594760 /nfs/dbraw/zinc/59/47/60/185594760.db2.gz AKUCPXAIFXQLND-AAEUAGOBSA-N 1 0 253.415 2.084 10 0 CEAERO CC[C@H]([NH3+])[C@H](CC(=O)OC)c1ccc(F)c(F)c1 ZINC000097431972 185602586 /nfs/dbraw/zinc/60/25/86/185602586.db2.gz HJRDAAIQDDSCGQ-SKDRFNHKSA-N 1 0 257.280 2.349 10 0 CEAERO COC(=O)C[C@@]1(C(C)(C)[NH3+])CCO[C@@H](C(C)C)C1 ZINC000097434055 185602975 /nfs/dbraw/zinc/60/29/75/185602975.db2.gz KBNMKMDQGVTAJK-BXUZGUMPSA-N 1 0 257.374 2.108 10 0 CEAERO COC(=O)C[C@@]1([C@H](C)[NH3+])CCCc2cc(OC)ccc21 ZINC000097430776 185601973 /nfs/dbraw/zinc/60/19/73/185601973.db2.gz GQBGNFANVVOJIY-MEDUHNTESA-N 1 0 277.364 2.180 10 0 CEAERO CC[C@@H]([NH3+])[C@@](C)(CC(=O)OC)c1ccc(OC)c(F)c1 ZINC000097432661 185602481 /nfs/dbraw/zinc/60/24/81/185602481.db2.gz YBRVSPKIMCLESC-HIFRSBDPSA-N 1 0 283.343 2.392 10 0 CEAERO CC(C)n1ccc(C[C@@]2(C[NH2+]C3CC3)CCOC2)n1 ZINC000085170989 178961474 /nfs/dbraw/zinc/96/14/74/178961474.db2.gz UMGVSLQXXUTXHJ-OAHLLOKOSA-N 1 0 263.385 2.165 10 0 CEAERO C[NH2+][C@H](COC)Cc1ccn(C2CCCCC2)n1 ZINC000085182912 178966659 /nfs/dbraw/zinc/96/66/59/178966659.db2.gz FNCDTNBNCBFZLJ-ZDUSSCGKSA-N 1 0 251.374 2.165 10 0 CEAERO C[C@@H](O)c1ccnc(N2CC[NH+](C(C)(C)C)CC2)c1 ZINC000095003083 136515459 /nfs/dbraw/zinc/51/54/59/136515459.db2.gz FLLQSKYVNYCVPQ-GFCCVEGCSA-N 1 0 263.385 2.055 10 0 CEAERO CCC[NH2+][C@@](C)(CO)CCCN(CC)CC(F)(F)F ZINC000085241601 178981596 /nfs/dbraw/zinc/98/15/96/178981596.db2.gz KQMAINZNVYDQEN-GFCCVEGCSA-N 1 0 284.366 2.401 10 0 CEAERO CCC[NH2+][C@@](CO)(COC1CCCCC1)C1CC1 ZINC000085282664 179000246 /nfs/dbraw/zinc/00/02/46/179000246.db2.gz LWFQHDDYRZDKQD-HNNXBMFYSA-N 1 0 255.402 2.476 10 0 CEAERO CCC[NH2+][C@](C)(CO)CCO[C@H]1CCC[C@H](OC)C1 ZINC000085265965 178996240 /nfs/dbraw/zinc/99/62/40/178996240.db2.gz FNGAFROXZWGWOE-KKUMJFAQSA-N 1 0 273.417 2.101 10 0 CEAERO C[NH2+][C@@](C)(CO)CCCOCCCc1ccccc1 ZINC000085266442 178996571 /nfs/dbraw/zinc/99/65/71/178996571.db2.gz OPZGVMZEKICSHM-MRXNPFEDSA-N 1 0 265.397 2.386 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCOc1cc(C)cc(C)c1 ZINC000085284799 179002710 /nfs/dbraw/zinc/00/27/10/179002710.db2.gz ZMPGEYJJHSHIHN-OAHLLOKOSA-N 1 0 251.370 2.433 10 0 CEAERO CCCOc1ccccc1OC[C@@H](CO)[NH2+]C(C)C ZINC000085269875 178997828 /nfs/dbraw/zinc/99/78/28/178997828.db2.gz FQCLIVLXAFEIGI-CYBMUJFWSA-N 1 0 267.369 2.213 10 0 CEAERO C[NH+](C)CC[C@H](C[C@H]1CCCc2ccccc21)NN ZINC000097618416 185639724 /nfs/dbraw/zinc/63/97/24/185639724.db2.gz URZVUEFKWJFUAH-HUUCEWRRSA-N 1 0 261.413 2.280 10 0 CEAERO COc1cc(C)ccc1OCC[C@@H](CO)[NH2+]C(C)C ZINC000085286016 179003425 /nfs/dbraw/zinc/00/34/25/179003425.db2.gz HMXLFYBNAKDRCR-ZDUSSCGKSA-N 1 0 267.369 2.131 10 0 CEAERO Cc1cc(C)c(C)c(OCCC[C@@](C)([NH3+])CO)c1 ZINC000085286059 179003888 /nfs/dbraw/zinc/00/38/88/179003888.db2.gz WLUUZMXOEATOEM-OAHLLOKOSA-N 1 0 251.370 2.481 10 0 CEAERO CC[NH2+][C@](C)(CO)C[C@@H](C)Sc1nc(C)cc(C)n1 ZINC000085288020 179005391 /nfs/dbraw/zinc/00/53/91/179005391.db2.gz MFDYIYKXHXEUJK-OCCSQVGLSA-N 1 0 283.441 2.325 10 0 CEAERO CCC[NH2+][C@](C)(CO)C[C@H](C)Sc1ccncn1 ZINC000085289966 179005707 /nfs/dbraw/zinc/00/57/07/179005707.db2.gz KLSDLZDYRLWFQU-AAEUAGOBSA-N 1 0 269.414 2.098 10 0 CEAERO Cc1cc(S[C@H](C)C[C@](C)(CO)[NH2+]C(C)C)n(C)n1 ZINC000085289494 179005934 /nfs/dbraw/zinc/00/59/34/179005934.db2.gz KAMSDRYGJAYVIY-TZMCWYRMSA-N 1 0 285.457 2.348 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)C[C@@H](C)Sc1ccncn1 ZINC000085289919 179005955 /nfs/dbraw/zinc/00/59/55/179005955.db2.gz SSPZHISYTMFPJW-DGCLKSJQSA-N 1 0 269.414 2.096 10 0 CEAERO CCCC[N@H+](C[C@](O)(CN)c1ccccc1)C1CC1 ZINC000085300825 179010053 /nfs/dbraw/zinc/01/00/53/179010053.db2.gz SCFNNAHZMXXVDM-MRXNPFEDSA-N 1 0 262.397 2.097 10 0 CEAERO Cc1ccc(SC[C@]([NH3+])(CO)C2CC2)c(C)c1 ZINC000085291432 179007393 /nfs/dbraw/zinc/00/73/93/179007393.db2.gz ANOMZFBEBDYYBY-CQSZACIVSA-N 1 0 251.395 2.495 10 0 CEAERO Cc1csc(SC[C@](CO)([NH2+]C2CC2)C2CC2)n1 ZINC000085292558 179007748 /nfs/dbraw/zinc/00/77/48/179007748.db2.gz VRQJYTVXGJBXMG-ZDUSSCGKSA-N 1 0 284.450 2.437 10 0 CEAERO CCC[NH2+][C@](C)(CO)C[C@@H](C)Sc1nnc(C)s1 ZINC000085297127 179008399 /nfs/dbraw/zinc/00/83/99/179008399.db2.gz ALSSDIPKBNYIFY-SKDRFNHKSA-N 1 0 289.470 2.468 10 0 CEAERO CC[NH2+][C@](C)(CO)CSc1cc(F)ccc1F ZINC000085297006 179008633 /nfs/dbraw/zinc/00/86/33/179008633.db2.gz IOWHYSOUYZFNSG-GFCCVEGCSA-N 1 0 261.337 2.417 10 0 CEAERO Cc1cnc(SCC[C@@](C)(CO)[NH2+]C(C)C)nc1 ZINC000085297800 179009089 /nfs/dbraw/zinc/00/90/89/179009089.db2.gz SBZJEMCFYGMSQI-ZDUSSCGKSA-N 1 0 269.414 2.016 10 0 CEAERO Cc1cnc(SCCC[C@@](C)(CO)[NH2+]C(C)C)nc1 ZINC000085297711 179009153 /nfs/dbraw/zinc/00/91/53/179009153.db2.gz ZKCVWBBVLJVACK-AWEZNQCLSA-N 1 0 283.441 2.406 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCCOc1ccc(F)cc1 ZINC000085285173 179002928 /nfs/dbraw/zinc/00/29/28/179002928.db2.gz PGNAWFWQNFETCW-CQSZACIVSA-N 1 0 255.333 2.345 10 0 CEAERO CCN(CCC[C@@](C)(O)C[NH3+])c1ccccc1F ZINC000085303407 179011075 /nfs/dbraw/zinc/01/10/75/179011075.db2.gz TXRGIAVMYOROIQ-CQSZACIVSA-N 1 0 254.349 2.142 10 0 CEAERO COc1ccccc1N(C)CCCC[C@@](C)(O)C[NH3+] ZINC000085303423 179011094 /nfs/dbraw/zinc/01/10/94/179011094.db2.gz VLYNSWCONWHYCL-OAHLLOKOSA-N 1 0 266.385 2.011 10 0 CEAERO Cc1ccc(C(C)(C)C)c(OC[C@@](C)(O)C[NH3+])c1 ZINC000085305532 179011944 /nfs/dbraw/zinc/01/19/44/179011944.db2.gz VRTBPDRKPNMVCA-HNNXBMFYSA-N 1 0 251.370 2.381 10 0 CEAERO Cc1cc2ncn([C@@H](C)C[C@@](C)(O)C[NH3+])c2cc1C ZINC000085304591 179011955 /nfs/dbraw/zinc/01/19/55/179011955.db2.gz VGXGVIJDZQXBQB-SWLSCSKDSA-N 1 0 261.369 2.314 10 0 CEAERO [NH3+]C[C@](O)(COCC1CCCCC1)c1ccccc1 ZINC000085305011 179012028 /nfs/dbraw/zinc/01/20/28/179012028.db2.gz SNJFBJUGJZZHSV-INIZCTEOSA-N 1 0 263.381 2.430 10 0 CEAERO C[C@](O)(C[NH3+])CCSc1ccc(C(F)(F)F)cn1 ZINC000085308534 179013235 /nfs/dbraw/zinc/01/32/35/179013235.db2.gz KEWTZVYPSKDRGL-SNVBAGLBSA-N 1 0 280.315 2.292 10 0 CEAERO CCc1nn(C)c(CSC[C@H](C)[NH3+])c1Br ZINC000085313897 179013976 /nfs/dbraw/zinc/01/39/76/179013976.db2.gz AANHXRNLPSQZJC-ZETCQYMHSA-N 1 0 292.246 2.325 10 0 CEAERO COCCn1c2ccccc2nc1[C@@H]1CCC[C@H]1[NH3+] ZINC000085321875 179015426 /nfs/dbraw/zinc/01/54/26/179015426.db2.gz ISEOTKMZOBKNAH-VXGBXAGGSA-N 1 0 259.353 2.278 10 0 CEAERO COCCn1c2ccccc2nc1[C@H]1CCC[C@@H]1[NH3+] ZINC000085321874 179015631 /nfs/dbraw/zinc/01/56/31/179015631.db2.gz ISEOTKMZOBKNAH-RYUDHWBXSA-N 1 0 259.353 2.278 10 0 CEAERO C[C@@H]([N@H+](C)C[C@@](O)(CN)c1ccccc1)C(C)(C)C ZINC000085300710 179010348 /nfs/dbraw/zinc/01/03/48/179010348.db2.gz LESWKKDJTKZQQT-CJNGLKHVSA-N 1 0 264.413 2.199 10 0 CEAERO COc1cc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])cc(OC)c1 ZINC000085356014 179030253 /nfs/dbraw/zinc/03/02/53/179030253.db2.gz HOSJCEDQQVOHJW-KBPBESRZSA-N 1 0 278.352 2.160 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000085356211 179030288 /nfs/dbraw/zinc/03/02/88/179030288.db2.gz IYIAPTSYNQVMCQ-ZJUUUORDSA-N 1 0 298.289 2.464 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)Nc1ccccc1OC(F)F ZINC000085358144 179031078 /nfs/dbraw/zinc/03/10/78/179031078.db2.gz KGZQBFYTIXQWRX-DTWKUNHWSA-N 1 0 270.279 2.354 10 0 CEAERO CN(Cc1cccs1)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085358537 179031539 /nfs/dbraw/zinc/03/15/39/179031539.db2.gz ULBDYOBWXJYIBR-NWDGAFQWSA-N 1 0 252.383 2.224 10 0 CEAERO COCc1ccccc1NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085360337 179032513 /nfs/dbraw/zinc/03/25/13/179032513.db2.gz FADYQYIUTUTWDV-STQMWFEESA-N 1 0 262.353 2.289 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1cccnc1Cl ZINC000085361529 179033622 /nfs/dbraw/zinc/03/36/22/179033622.db2.gz BYALBLUULCTBRE-RKDXNWHRSA-N 1 0 253.733 2.191 10 0 CEAERO COc1cc(C)c(NC(=O)[C@H]2CCC[C@@H]2[NH3+])cc1OC ZINC000085362604 179033899 /nfs/dbraw/zinc/03/38/99/179033899.db2.gz JEPMXVHDUPKOFW-QWRGUYRKSA-N 1 0 278.352 2.078 10 0 CEAERO CC[C@H]([NH3+])Cc1ncc(I)s1 ZINC000085352077 179029920 /nfs/dbraw/zinc/02/99/20/179029920.db2.gz YCTNDFJVOUQORI-YFKPBYRVSA-N 1 0 282.150 2.028 10 0 CEAERO CN(Cc1ccc(F)cc1F)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085367738 179037629 /nfs/dbraw/zinc/03/76/29/179037629.db2.gz GJGAODRHHPFYOM-TZMCWYRMSA-N 1 0 282.334 2.441 10 0 CEAERO CC(C)CN(CC(F)(F)F)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085368514 179038179 /nfs/dbraw/zinc/03/81/79/179038179.db2.gz XRLGDXJNDRRKAV-ZJUUUORDSA-N 1 0 266.307 2.161 10 0 CEAERO Cc1cccc(OCCN(C)C(=O)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000085368780 179038623 /nfs/dbraw/zinc/03/86/23/179038623.db2.gz YBFIUXFYTCNSQY-HZPDHXFCSA-N 1 0 290.407 2.350 10 0 CEAERO Cc1nc(C)c([C@H](C)NC(=O)[C@H]2CCC[C@@H]2[NH3+])s1 ZINC000085370585 179040570 /nfs/dbraw/zinc/04/05/70/179040570.db2.gz NURXFOFYPGEWQV-LSJOCFKGSA-N 1 0 267.398 2.065 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)NCc1ccc(OC(F)F)cc1 ZINC000085370896 179041210 /nfs/dbraw/zinc/04/12/10/179041210.db2.gz VIGCSZFBRBVNOD-OLZOCXBDSA-N 1 0 298.333 2.422 10 0 CEAERO CCOC(=O)c1ccc(NC(=O)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000085372143 179041861 /nfs/dbraw/zinc/04/18/61/179041861.db2.gz HIXSMTIZFDZBFH-UONOGXRCSA-N 1 0 290.363 2.319 10 0 CEAERO CCc1nc(NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])sc1C ZINC000085372483 179042477 /nfs/dbraw/zinc/04/24/77/179042477.db2.gz ZZQROFRCVWEDER-ZJUUUORDSA-N 1 0 267.398 2.470 10 0 CEAERO CCOC(=O)c1cc(C)sc1NC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085375420 179044122 /nfs/dbraw/zinc/04/41/22/179044122.db2.gz OIUXWKFKDWLGDY-GXSJLCMTSA-N 1 0 296.392 2.299 10 0 CEAERO COc1ccc(CN(C)C(=O)[C@H]2CCCC[C@@H]2[NH3+])cc1F ZINC000085365373 179036603 /nfs/dbraw/zinc/03/66/03/179036603.db2.gz DRJRZLBKQSGEOP-JSGCOSHPSA-N 1 0 294.370 2.310 10 0 CEAERO C[C@H]1CN(Cc2ccn(C3CCCCC3)n2)CC[NH2+]1 ZINC000085434540 179061421 /nfs/dbraw/zinc/06/14/21/179061421.db2.gz TXRYOMHMFCVIBW-ZDUSSCGKSA-N 1 0 262.401 2.182 10 0 CEAERO CC(C)n1ccc(CN2CC[NH2+][C@@H](C(C)(C)C)C2)n1 ZINC000085434966 179061422 /nfs/dbraw/zinc/06/14/22/179061422.db2.gz QBDOONQAXCSHEB-CQSZACIVSA-N 1 0 264.417 2.284 10 0 CEAERO CC1(C)CN(Cc2ccc3ccccc3n2)CC[NH2+]1 ZINC000085435131 179061722 /nfs/dbraw/zinc/06/17/22/179061722.db2.gz GQHNMGZAZSWIQI-UHFFFAOYSA-N 1 0 255.365 2.419 10 0 CEAERO CCC[C@H]1CN(CCn2cccn2)[C@@](C)(CC)C[NH2+]1 ZINC000085466080 179071790 /nfs/dbraw/zinc/07/17/90/179071790.db2.gz GSQKCVSZBXQCOE-GJZGRUSLSA-N 1 0 264.417 2.126 10 0 CEAERO CC(C)C[C@@H](C[NH3+])Nc1ncncc1Br ZINC000085466818 179071927 /nfs/dbraw/zinc/07/19/27/179071927.db2.gz ZAVMDZRPOVQENL-QMMMGPOBSA-N 1 0 273.178 2.024 10 0 CEAERO CCC[C@H]1C[N@H+](CCOC)C2(CCCCC2)CN1 ZINC000085466362 179071952 /nfs/dbraw/zinc/07/19/52/179071952.db2.gz UUOOQVOYBUKENX-AWEZNQCLSA-N 1 0 254.418 2.410 10 0 CEAERO CC(C)[NH2+]CCCOc1ncncc1Br ZINC000085467909 179072947 /nfs/dbraw/zinc/07/29/47/179072947.db2.gz LTYVSPKTJMKXCA-UHFFFAOYSA-N 1 0 274.162 2.006 10 0 CEAERO CC(C)[C@@H]1CN(C[C@@H]2CCCO2)C2(CCCC2)C[NH2+]1 ZINC000085468370 179073335 /nfs/dbraw/zinc/07/33/35/179073335.db2.gz WUVYAHZCJZKNIU-GJZGRUSLSA-N 1 0 266.429 2.408 10 0 CEAERO CC[C@]1(C)CN[C@H](C(C)C)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085468029 179073523 /nfs/dbraw/zinc/07/35/23/179073523.db2.gz JANKOLICSATKHH-SOUVJXGZSA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@H](C)n1ccc(CN2CC[NH2+]C[C@@H]2C(C)C)n1 ZINC000085451196 179065176 /nfs/dbraw/zinc/06/51/76/179065176.db2.gz DZJJEXDATVSZAZ-DZGCQCFKSA-N 1 0 264.417 2.284 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C(C)C)CN1C[C@@H]1CCCCO1 ZINC000085450549 179065276 /nfs/dbraw/zinc/06/52/76/179065276.db2.gz JLACBRKFFHTBQK-KKUMJFAQSA-N 1 0 254.418 2.264 10 0 CEAERO COc1ccc(CN2CC[NH2+]C[C@]2(C)C2CC2)cc1 ZINC000085452586 179066119 /nfs/dbraw/zinc/06/61/19/179066119.db2.gz MXVHMRLDAHBOEU-MRXNPFEDSA-N 1 0 260.381 2.269 10 0 CEAERO CCC1(CC)CNCC[N@@H+]1CCCOCC(F)(F)F ZINC000085452174 179066395 /nfs/dbraw/zinc/06/63/95/179066395.db2.gz TVWOFUPGANFXMM-UHFFFAOYSA-N 1 0 282.350 2.419 10 0 CEAERO CCC[C@@H]1C[N@H+](CC2CCOCC2)C(C)(C)CN1 ZINC000085455544 179067964 /nfs/dbraw/zinc/06/79/64/179067964.db2.gz HCILYQUHNAXMCV-CQSZACIVSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@@H]1C[N@@H+]([C@@H]2CCC[C@H](OC)C2)[C@@H](CC)CN1 ZINC000085472345 179077390 /nfs/dbraw/zinc/07/73/90/179077390.db2.gz LJODKUIRKPSHDI-BARDWOONSA-N 1 0 254.418 2.406 10 0 CEAERO CC[C@H]1CN(CCC(F)(F)F)[C@H](C2CC2)C[NH2+]1 ZINC000085473390 179077989 /nfs/dbraw/zinc/07/79/89/179077989.db2.gz ZLVNWXKFPTXAAV-QWRGUYRKSA-N 1 0 250.308 2.401 10 0 CEAERO CC[C@@H]1CN(CCOC(C)C)C2(CCCC2)C[NH2+]1 ZINC000085474776 179078621 /nfs/dbraw/zinc/07/86/21/179078621.db2.gz RCJZMQIFEOAMPZ-CQSZACIVSA-N 1 0 254.418 2.408 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(Cc2ncccn2)C(C)(C)C[NH2+]1 ZINC000085492832 179081884 /nfs/dbraw/zinc/08/18/84/179081884.db2.gz CKSUEGOQCLMRAY-OLZOCXBDSA-N 1 0 262.401 2.075 10 0 CEAERO CC(C)[C@H]1C[NH2+]C(C)(C)CN1CCOCC(F)(F)F ZINC000085469822 179075445 /nfs/dbraw/zinc/07/54/45/179075445.db2.gz JQHKSTSBBRAOKN-LLVKDONJSA-N 1 0 282.350 2.274 10 0 CEAERO [NH3+]Cc1c[nH]c(-c2ccccc2Br)n1 ZINC000062820776 362724251 /nfs/dbraw/zinc/72/42/51/362724251.db2.gz BOFCAMKUAJMVKM-UHFFFAOYSA-N 1 0 252.115 2.298 10 0 CEAERO CCOCCN1C[C@H](c2ccccc2)[NH2+]CC1(C)C ZINC000085507390 179084740 /nfs/dbraw/zinc/08/47/40/179084740.db2.gz CQMJMJOQNDOMJJ-OAHLLOKOSA-N 1 0 262.397 2.448 10 0 CEAERO COCC[N@@H+]1CC2(CCCCC2)NC[C@@H]1C(C)C ZINC000085502983 179084782 /nfs/dbraw/zinc/08/47/82/179084782.db2.gz QJXLFJUOZJTTLM-CQSZACIVSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@@H]1CN[C@@H](C2CC2)C[N@@H+]1CCCOCC(F)(F)F ZINC000085522742 179088610 /nfs/dbraw/zinc/08/86/10/179088610.db2.gz UHPJYVRJOAEEKD-CHWSQXEVSA-N 1 0 294.361 2.418 10 0 CEAERO CC[C@@H]1CN[C@](C)(C2CC2)C[N@@H+]1CCCn1ccnc1 ZINC000085509915 179085557 /nfs/dbraw/zinc/08/55/57/179085557.db2.gz KUMNONLTOBLILQ-CVEARBPZSA-N 1 0 276.428 2.126 10 0 CEAERO CC1(C)C[NH2+][C@](C)(C2CC2)CN1C[C@@H]1CCCCO1 ZINC000085514609 179086570 /nfs/dbraw/zinc/08/65/70/179086570.db2.gz POLISZYNXQHUDL-HOCLYGCPSA-N 1 0 266.429 2.408 10 0 CEAERO CC(C)[C@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1cnn(C)c1 ZINC000085512577 179086606 /nfs/dbraw/zinc/08/66/06/179086606.db2.gz NTEOYRUVMPDEPH-CVEARBPZSA-N 1 0 276.428 2.019 10 0 CEAERO C[C@]1(C2CC2)CN(Cc2ccncc2)[C@H](C2CC2)C[NH2+]1 ZINC000085513793 179086687 /nfs/dbraw/zinc/08/66/87/179086687.db2.gz QAZQDGUUPWYSHB-DLBZAZTESA-N 1 0 271.408 2.434 10 0 CEAERO CC[C@]1(C)C[NH2+][C@](C)(C2CC2)CN1[C@@H]1CCOC1 ZINC000085515151 179086802 /nfs/dbraw/zinc/08/68/02/179086802.db2.gz SGGUPZNLKLIBDK-KFWWJZLASA-N 1 0 252.402 2.018 10 0 CEAERO CC(C)[C@H]1CN[C@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085512492 179086821 /nfs/dbraw/zinc/08/68/21/179086821.db2.gz FGFAOSHAAMAXJD-IMJJTQAJSA-N 1 0 266.429 2.121 10 0 CEAERO CCC1(CC)CN(Cc2ncccn2)C(C)(C)C[NH2+]1 ZINC000085519876 179087293 /nfs/dbraw/zinc/08/72/93/179087293.db2.gz FPZZYGVWHRNVRQ-UHFFFAOYSA-N 1 0 262.401 2.219 10 0 CEAERO COCC[N@@H+]1C[C@@](C)(C2CC2)NCC12CCCCC2 ZINC000085516051 179087510 /nfs/dbraw/zinc/08/75/10/179087510.db2.gz FRKARCSWWUOFMK-HNNXBMFYSA-N 1 0 266.429 2.410 10 0 CEAERO CCC1(CC)CN(CCn2cccn2)[C@@H](C(C)C)C[NH2+]1 ZINC000085518172 179087618 /nfs/dbraw/zinc/08/76/18/179087618.db2.gz QVPXDKOMUPMEGC-OAHLLOKOSA-N 1 0 278.444 2.372 10 0 CEAERO CN1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)CC1=O ZINC000336789730 365810255 /nfs/dbraw/zinc/81/02/55/365810255.db2.gz JUDHCCBPKMQERM-JHJVBQTASA-N 1 0 252.402 2.412 10 0 CEAERO C[C@@]1(C2CC2)CN(Cc2ncccn2)C2(CCCC2)C[NH2+]1 ZINC000085515767 179087812 /nfs/dbraw/zinc/08/78/12/179087812.db2.gz TVPGFCLZNKAYPE-INIZCTEOSA-N 1 0 286.423 2.363 10 0 CEAERO CCC1(CC)C[N@H+](CC2CCOCC2)[C@H](C)CN1 ZINC000085516989 179088150 /nfs/dbraw/zinc/08/81/50/179088150.db2.gz KGFOIEMQYWCXBJ-CYBMUJFWSA-N 1 0 254.418 2.266 10 0 CEAERO CCC[C@H]1C[NH2+][C@](C)(CC)CN1Cc1cnn(C)c1 ZINC000085495270 179082292 /nfs/dbraw/zinc/08/22/92/179082292.db2.gz FXQJGQCNBGQCKW-LSDHHAIUSA-N 1 0 264.417 2.163 10 0 CEAERO CC[C@]1(C)C[N@H+](C[C@@H]2CCCO2)[C@H](C2CC2)CN1 ZINC000085495901 179082567 /nfs/dbraw/zinc/08/25/67/179082567.db2.gz IPOVZAOHSXEAJS-SOUVJXGZSA-N 1 0 252.402 2.018 10 0 CEAERO CCC[C@@H]1C[NH2+][C@](C)(CC)CN1Cc1cnn(C)c1 ZINC000085495267 179082644 /nfs/dbraw/zinc/08/26/44/179082644.db2.gz FXQJGQCNBGQCKW-HUUCEWRRSA-N 1 0 264.417 2.163 10 0 CEAERO CC[C@@H]1C[NH2+]C2(CCCC2)CN1CCOC(C)C ZINC000085497708 179083221 /nfs/dbraw/zinc/08/32/21/179083221.db2.gz UOFPIRHJPQXNPX-CQSZACIVSA-N 1 0 254.418 2.408 10 0 CEAERO CC[C@@]1(C)CNC2(CCCC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085498650 179083318 /nfs/dbraw/zinc/08/33/18/179083318.db2.gz CBWBOGHBXSSEEI-GJZGRUSLSA-N 1 0 266.429 2.410 10 0 CEAERO CCOCC[N@@H+]1C[C@H](c2ccccc2)NC[C@@H]1CC ZINC000085505050 179083994 /nfs/dbraw/zinc/08/39/94/179083994.db2.gz UVHBXZQSMRICJF-JKSUJKDBSA-N 1 0 262.397 2.448 10 0 CEAERO COCCN1CC2(CCCCC2)[NH2+]C[C@H]1C1CC1 ZINC000085503273 179084223 /nfs/dbraw/zinc/08/42/23/179084223.db2.gz FQRDKRUGXYJPJS-AWEZNQCLSA-N 1 0 252.402 2.020 10 0 CEAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@H](CO)c1ccccc1 ZINC000063002811 362742691 /nfs/dbraw/zinc/74/26/91/362742691.db2.gz LYGRPANULJKMIJ-TZMCWYRMSA-N 1 0 278.396 2.003 10 0 CEAERO CC1(C)[C@H]([NH3+])C[C@H]1Oc1cncc(Br)c1 ZINC000085526320 179089149 /nfs/dbraw/zinc/08/91/49/179089149.db2.gz XJYGHWFAAFBMMM-NXEZZACHSA-N 1 0 271.158 2.349 10 0 CEAERO CC(C)C[C@H]1CN[C@@H](C2CC2)C[N@@H+]1CCCn1ccnc1 ZINC000085525554 179089777 /nfs/dbraw/zinc/08/97/77/179089777.db2.gz NVGUQLIITIVEPX-DLBZAZTESA-N 1 0 290.455 2.372 10 0 CEAERO CC[C@H](C)[C@@H]1CN[C@H](C2CC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085525374 179089825 /nfs/dbraw/zinc/08/98/25/179089825.db2.gz UFEDGZYRRFPVNJ-SDADXPQNSA-N 1 0 266.429 2.121 10 0 CEAERO C([C@@H]1CCCCO1)N1C[C@H](C2CC2)[NH2+]C[C@@H]1C1CC1 ZINC000085526362 179089884 /nfs/dbraw/zinc/08/98/84/179089884.db2.gz GGUDLQYBKJHJFE-ARFHVFGLSA-N 1 0 264.413 2.018 10 0 CEAERO c1ccc([C@@H]2C[NH2+][C@@H](C3CC3)CN2[C@@H]2CCOC2)cc1 ZINC000085527237 179090012 /nfs/dbraw/zinc/09/00/12/179090012.db2.gz URPFWGDRFTYMBT-ZACQAIPSSA-N 1 0 272.392 2.200 10 0 CEAERO c1nc2c(n1[C@H]1CCCc3ccccc31)CC[NH2+]C2 ZINC000085567280 179095112 /nfs/dbraw/zinc/09/51/12/179095112.db2.gz ZNVZJWCQACOEBO-HNNXBMFYSA-N 1 0 253.349 2.455 10 0 CEAERO Cc1nc2c(n1CCc1cc(F)cc(F)c1)CC[NH2+]C2 ZINC000085570966 179096086 /nfs/dbraw/zinc/09/60/86/179096086.db2.gz GNJULFMGSQDTLN-UHFFFAOYSA-N 1 0 277.318 2.358 10 0 CEAERO Cc1nc2c(n1-c1ccc(OC(F)F)cc1)CC[NH2+]C2 ZINC000085569675 179096454 /nfs/dbraw/zinc/09/64/54/179096454.db2.gz JUMUQDBBGQEEIJ-UHFFFAOYSA-N 1 0 279.290 2.428 10 0 CEAERO C[C@H]([C@@H]1CCCO1)n1c2c(nc1C(F)(F)F)C[NH2+]CC2 ZINC000085570168 179096646 /nfs/dbraw/zinc/09/66/46/179096646.db2.gz KTNWPLVVGCEUNL-KCJUWKMLSA-N 1 0 289.301 2.288 10 0 CEAERO CCCCCNC(=O)[C@@H](C)[NH2+][C@@H](CO)c1ccccc1 ZINC000063002749 362741415 /nfs/dbraw/zinc/74/14/15/362741415.db2.gz HWLANVKXKZNXNO-HIFRSBDPSA-N 1 0 278.396 2.005 10 0 CEAERO CCC[C@@H](COC)n1c2c(nc1C1CC1)C[NH2+]CC2 ZINC000085574711 179099111 /nfs/dbraw/zinc/09/91/11/179099111.db2.gz KPJBQTUIAUZAPM-LBPRGKRZSA-N 1 0 263.385 2.394 10 0 CEAERO CCCc1nc2c(n1[C@H](CC)COC)CC[NH2+]C2 ZINC000085574816 179099307 /nfs/dbraw/zinc/09/93/07/179099307.db2.gz FUDJPGSWDNAMDV-LLVKDONJSA-N 1 0 251.374 2.079 10 0 CEAERO C[C@H](O)CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000336794009 365816789 /nfs/dbraw/zinc/81/67/89/365816789.db2.gz ZHVPUQNGRAVCGK-BYNSBNAKSA-N 1 0 255.402 2.163 10 0 CEAERO CC[C@@H](C)[C@H]1CN(Cc2cccc(OC)n2)CCC[NH2+]1 ZINC000085609366 179101335 /nfs/dbraw/zinc/10/13/35/179101335.db2.gz WPEIKAYQYVQRDP-UKRRQHHQSA-N 1 0 277.412 2.300 10 0 CEAERO CCC[C@H]1CN(Cc2cn3ccccc3n2)CCC[NH2+]1 ZINC000085612390 179102603 /nfs/dbraw/zinc/10/26/03/179102603.db2.gz SGGAEYMZDQVVGP-AWEZNQCLSA-N 1 0 272.396 2.298 10 0 CEAERO CC(C)[C@@H]1CN(CCOCC(F)(F)F)[C@@H](C)CC[NH2+]1 ZINC000085617929 179103697 /nfs/dbraw/zinc/10/36/97/179103697.db2.gz LDVCRFKCVPHGOA-RYUDHWBXSA-N 1 0 282.350 2.274 10 0 CEAERO CC[C@@H]1CN(Cc2ccn(C(C)C)n2)CCC[NH2+]1 ZINC000085614671 179103952 /nfs/dbraw/zinc/10/39/52/179103952.db2.gz BWEHKFBQVSPLPY-CYBMUJFWSA-N 1 0 250.390 2.038 10 0 CEAERO COc1ccc(CN2CCC[NH2+][C@@H](C3CC3)C2)cc1OC ZINC000085615881 179104499 /nfs/dbraw/zinc/10/44/99/179104499.db2.gz NXCVLDXCGIUMBF-OAHLLOKOSA-N 1 0 290.407 2.278 10 0 CEAERO CCn1cc(CN2CC3(CCCC3)[NH2+]CC[C@H]2C)cn1 ZINC000085623303 179105052 /nfs/dbraw/zinc/10/50/52/179105052.db2.gz YPOQVJXQNYPBMI-CQSZACIVSA-N 1 0 276.428 2.400 10 0 CEAERO CCc1c(C[NH3+])cnn1-c1ccc(Br)cn1 ZINC000085655543 179110660 /nfs/dbraw/zinc/11/06/60/179110660.db2.gz YRDIFTKOXROZGH-UHFFFAOYSA-N 1 0 281.157 2.051 10 0 CEAERO CCN1CCC([NH2+][C@H]2[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000085675103 179112035 /nfs/dbraw/zinc/11/20/35/179112035.db2.gz YWSASQBWGXZFNO-ILXRZTDVSA-N 1 0 266.429 2.264 10 0 CEAERO C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)c1nnc2n1CCC2 ZINC000085674064 179112093 /nfs/dbraw/zinc/11/20/93/179112093.db2.gz WSXQDWWBEIPBAS-VTPLQMEGSA-N 1 0 290.411 2.079 10 0 CEAERO Cc1n[nH]cc1CCC[NH2+][C@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000085676028 179112662 /nfs/dbraw/zinc/11/26/62/179112662.db2.gz SUTICVAYNIRDJZ-ILXRZTDVSA-N 1 0 277.412 2.444 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]CCCc2nnc[nH]2)C12CCCC2 ZINC000085681738 179113928 /nfs/dbraw/zinc/11/39/28/179113928.db2.gz JJBXIKIOFPQMJN-CHWSQXEVSA-N 1 0 278.400 2.065 10 0 CEAERO CCO[C@H]1C[C@H]([NH2+]CCCc2nnc[nH]2)C12CCCC2 ZINC000085681736 179114063 /nfs/dbraw/zinc/11/40/63/179114063.db2.gz JJBXIKIOFPQMJN-STQMWFEESA-N 1 0 278.400 2.065 10 0 CEAERO Cc1cc([C@H](C[NH3+])N(C)C)ccc1Br ZINC000085707107 179121979 /nfs/dbraw/zinc/12/19/79/179121979.db2.gz DNFAXCJWASFWDV-NSHDSACASA-N 1 0 257.175 2.319 10 0 CEAERO C[C@H]1Cc2ccccc2N([C@@H](C[NH3+])[C@@H]2CCOC2)C1 ZINC000110027929 136556302 /nfs/dbraw/zinc/55/63/02/136556302.db2.gz ZVXWXGAGKSEHNL-BJJXKVORSA-N 1 0 260.381 2.049 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000085364441 539548653 /nfs/dbraw/zinc/54/86/53/539548653.db2.gz DYMKUNMGLFXSDH-WFBLGPOFSA-N 1 0 278.318 2.351 10 0 CEAERO COc1ccc(F)cc1C[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000336818297 365863051 /nfs/dbraw/zinc/86/30/51/365863051.db2.gz UXQPPOMCALXJGZ-BXUZGUMPSA-N 1 0 267.344 2.475 10 0 CEAERO C[NH2+][C@@H](Cc1ccc(F)c(Br)c1)CN(C)C ZINC000085798774 179172988 /nfs/dbraw/zinc/17/29/88/179172988.db2.gz QKVPESIWIUTNLL-JTQLQIEISA-N 1 0 289.192 2.280 10 0 CEAERO [NH3+][C@@]1(c2nc3cc(F)ccc3n2C2CC2)CCOC1 ZINC000085849560 179187254 /nfs/dbraw/zinc/18/72/54/179187254.db2.gz CROHIJYROGNMLH-AWEZNQCLSA-N 1 0 261.300 2.085 10 0 CEAERO CN(Cc1ccc(C(C)(C)C)cc1)C(=O)[C@@]1([NH3+])CCOC1 ZINC000085875010 179194113 /nfs/dbraw/zinc/19/41/13/179194113.db2.gz OXYKZLATWOBNGF-QGZVFWFLSA-N 1 0 290.407 2.060 10 0 CEAERO CC[C@](C)(C[NH3+])[C@@H](O)c1ccc(Br)o1 ZINC000085902581 179196435 /nfs/dbraw/zinc/19/64/35/179196435.db2.gz CRAQNBSHFZQZSO-VHSXEESVSA-N 1 0 262.147 2.451 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1CNC(=O)c1ccc2ccccc2n1 ZINC000085963743 179205274 /nfs/dbraw/zinc/20/52/74/179205274.db2.gz QTBVHOSHKNSZBB-KGLIPLIRSA-N 1 0 283.375 2.482 10 0 CEAERO Cc1ccc(C(=O)NC[C@H]2CCCC[C@@H]2[NH3+])cc1F ZINC000085965363 179205564 /nfs/dbraw/zinc/20/55/64/179205564.db2.gz WIPJYNRIYVNHNB-OCCSQVGLSA-N 1 0 264.344 2.381 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1CNC(=O)c1ccc2ncccc2c1 ZINC000085965890 179205661 /nfs/dbraw/zinc/20/56/61/179205661.db2.gz KOWFBPCTLGBWBH-CABCVRRESA-N 1 0 283.375 2.482 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(F)cc1 ZINC000085967183 179205948 /nfs/dbraw/zinc/20/59/48/179205948.db2.gz KOSIDZDOEMMBEP-DGCLKSJQSA-N 1 0 250.317 2.073 10 0 CEAERO Cc1ccccc1CC(=O)NC[C@H]1CCCC[C@H]1[NH3+] ZINC000085966729 179206059 /nfs/dbraw/zinc/20/60/59/179206059.db2.gz RMDLXBIVXWEPIK-HUUCEWRRSA-N 1 0 260.381 2.171 10 0 CEAERO Cc1ccccc1CC(=O)NC[C@@H]1CCCC[C@H]1[NH3+] ZINC000085966723 179206097 /nfs/dbraw/zinc/20/60/97/179206097.db2.gz RMDLXBIVXWEPIK-LSDHHAIUSA-N 1 0 260.381 2.171 10 0 CEAERO Cc1ccc(CC(=O)NC[C@H]2CCCC[C@H]2[NH3+])cc1C ZINC000085966906 179206187 /nfs/dbraw/zinc/20/61/87/179206187.db2.gz NXDCVOMWSALOFN-HZPDHXFCSA-N 1 0 274.408 2.480 10 0 CEAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000085978292 179208469 /nfs/dbraw/zinc/20/84/69/179208469.db2.gz BHOYLZLBLRVKGH-GJZGRUSLSA-N 1 0 291.391 2.489 10 0 CEAERO Cc1cc(C[NH2+]C[C@H]2CCCC[C@H]2O)c(C)n1C ZINC000085972085 179207342 /nfs/dbraw/zinc/20/73/42/179207342.db2.gz MXAQJIFFHSIEFM-UKRRQHHQSA-N 1 0 250.386 2.283 10 0 CEAERO C[NH2+][C@@H](CCO)COc1ccc(C(C)C)c(C)c1 ZINC000085924417 179201218 /nfs/dbraw/zinc/20/12/18/179201218.db2.gz FSQRAXZCBRSWNY-ZDUSSCGKSA-N 1 0 251.370 2.468 10 0 CEAERO C[NH2+][C@@H](CCO)C[S@](=O)c1cc(Cl)ccc1Cl ZINC000085926733 179202294 /nfs/dbraw/zinc/20/22/94/179202294.db2.gz CVXQWVONMAGLJP-HUTHGQBESA-N 1 0 296.219 2.071 10 0 CEAERO CC[NH2+][C@H](CCO)CSc1nc2ccccc2o1 ZINC000085928942 179202712 /nfs/dbraw/zinc/20/27/12/179202712.db2.gz OYSAEFWRVQEYGX-SNVBAGLBSA-N 1 0 266.366 2.280 10 0 CEAERO Nc1ccc(SC[C@H]2C[NH2+]CCO2)cc1Cl ZINC000085938202 179202780 /nfs/dbraw/zinc/20/27/80/179202780.db2.gz YUJWQLYTFQBSJY-MRVPVSSYSA-N 1 0 258.774 2.003 10 0 CEAERO C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)C(=O)Nc1ccccc1 ZINC000085986244 179211992 /nfs/dbraw/zinc/21/19/92/179211992.db2.gz PMXBRNOPOTXSIM-NFAWXSAZSA-N 1 0 276.380 2.154 10 0 CEAERO O=C(C[NH2+]C[C@@H]1CCCC[C@@H]1O)Nc1ccccc1Cl ZINC000085987651 179212790 /nfs/dbraw/zinc/21/27/90/179212790.db2.gz MBFQPYVHJFASJF-FZMZJTMJSA-N 1 0 296.798 2.419 10 0 CEAERO O[C@H]1CCCC[C@H]1C[NH2+]CC1(O)CCCCCC1 ZINC000085987277 179213160 /nfs/dbraw/zinc/21/31/60/179213160.db2.gz BCKIWZHORDNSKV-KBPBESRZSA-N 1 0 255.402 2.212 10 0 CEAERO CC[NH2+][C@H]1CC[C@@H](Sc2nccc(=O)[nH]2)[C@@H]1C ZINC000086043765 179222965 /nfs/dbraw/zinc/22/29/65/179222965.db2.gz QZNJDBQKGIGNEV-KXUCPTDWSA-N 1 0 253.371 2.051 10 0 CEAERO CC[NH2+][C@@H]1CC[C@H](S(=O)(=O)CC2CCCC2)[C@@H]1C ZINC000086042124 179223106 /nfs/dbraw/zinc/22/31/06/179223106.db2.gz DPPOLFAMJRXWKK-BNOWGMLFSA-N 1 0 273.442 2.368 10 0 CEAERO C[C@H]1[C@H]([NH2+][C@@H]2CC(=O)N(C3CCCCC3)C2=O)CC[C@@H]1C ZINC000086075155 179224873 /nfs/dbraw/zinc/22/48/73/179224873.db2.gz QKRDGZXBMNLXEV-CTHBEMJXSA-N 1 0 292.423 2.471 10 0 CEAERO C[C@@H]1CC[C@H]([NH2+]CC(=O)N2CCCCCC2)[C@@H]1C ZINC000086077842 179225679 /nfs/dbraw/zinc/22/56/79/179225679.db2.gz BANZTYWBNYZFEF-MCIONIFRSA-N 1 0 252.402 2.413 10 0 CEAERO CC[NH2+][C@H]1CC[C@H](S(=O)(=O)c2ccccc2F)[C@@H]1C ZINC000086040722 179222318 /nfs/dbraw/zinc/22/23/18/179222318.db2.gz JSBROCIKCCNHHF-WXHSDQCUSA-N 1 0 285.384 2.376 10 0 CEAERO Fc1ccc(CN2CC[NH2+][C@H](C3CC3)C2)cc1F ZINC000086145192 179237707 /nfs/dbraw/zinc/23/77/07/179237707.db2.gz ZXOZTQRNOYMBJP-AWEZNQCLSA-N 1 0 252.308 2.149 10 0 CEAERO C[C@@]1(c2ccccc2)C[N@H+](CC[C@@H]2CCCO2)CCN1 ZINC000086145588 179238036 /nfs/dbraw/zinc/23/80/36/179238036.db2.gz MWAXQIASWWGUJP-IRXDYDNUSA-N 1 0 274.408 2.376 10 0 CEAERO CC[C@@H]1CC[C@H]([NH2+]C2CCN(C(C)=O)CC2)[C@@H]1C ZINC000086084118 179228747 /nfs/dbraw/zinc/22/87/47/179228747.db2.gz RNBWGTUUJSUABL-KYOSRNDESA-N 1 0 252.402 2.412 10 0 CEAERO C[C@H](Cc1cccs1)N1CC[NH2+][C@H](C2CC2)C1 ZINC000086149110 179240288 /nfs/dbraw/zinc/24/02/88/179240288.db2.gz CIOOEKYYHGMYMG-RISCZKNCSA-N 1 0 250.411 2.363 10 0 CEAERO C[C@]1(C2CC2)CN(CCOC2CCCC2)CC[NH2+]1 ZINC000086149504 179240351 /nfs/dbraw/zinc/24/03/51/179240351.db2.gz QLSUJPTVBIHHSW-OAHLLOKOSA-N 1 0 252.402 2.020 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C)CN1CCc1ccc2c(c1)OCCO2 ZINC000086151965 179240638 /nfs/dbraw/zinc/24/06/38/179240638.db2.gz QBBKPYTVASZYLC-ZFWWWQNUSA-N 1 0 290.407 2.073 10 0 CEAERO Cc1csc(CN2C[C@H](C)[NH2+]C[C@@H]2C(C)C)n1 ZINC000086173103 179245131 /nfs/dbraw/zinc/24/51/31/179245131.db2.gz DKEJCYPEGQWLNO-CMPLNLGQSA-N 1 0 253.415 2.270 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C(C)C)CN1Cc1cscn1 ZINC000086175746 179245746 /nfs/dbraw/zinc/24/57/46/179245746.db2.gz DAJQHEJVXIWONY-OLZOCXBDSA-N 1 0 253.415 2.352 10 0 CEAERO CC(C)[C@@H]1CN(CCOC2CCCC2)[C@@H](C)C[NH2+]1 ZINC000086175833 179245837 /nfs/dbraw/zinc/24/58/37/179245837.db2.gz NLCRXWIOCMQMAO-ZFWWWQNUSA-N 1 0 254.418 2.264 10 0 CEAERO c1nc(CCN2CC[NH2+]C[C@H]2c2ccccc2)cs1 ZINC000086177859 179246461 /nfs/dbraw/zinc/24/64/61/179246461.db2.gz CTXXDPIMYUEADK-HNNXBMFYSA-N 1 0 273.405 2.332 10 0 CEAERO CC(C)[C@@H]1CN([C@@H]2CCOc3ccccc32)CC[NH2+]1 ZINC000086147383 179239869 /nfs/dbraw/zinc/23/98/69/179239869.db2.gz XWUQZGNWRVNCBZ-LSDHHAIUSA-N 1 0 260.381 2.440 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1c1cnn(C)c1 ZINC000086218297 179249602 /nfs/dbraw/zinc/24/96/02/179249602.db2.gz WGQKUBSYCFXKPP-WCQYABFASA-N 1 0 250.390 2.023 10 0 CEAERO C[C@H]1C[NH2+][C@H](C2CC2)CN1CCc1cccc(F)c1 ZINC000086218739 179251068 /nfs/dbraw/zinc/25/10/68/179251068.db2.gz SSJWNKAEYCUUIB-LRDDRELGSA-N 1 0 262.372 2.441 10 0 CEAERO CC[C@H]1C[NH2+][C@](C)(C2CC2)CN1CCc1ccncc1 ZINC000086223295 179251742 /nfs/dbraw/zinc/25/17/42/179251742.db2.gz BAMJICSBEQNPGN-IRXDYDNUSA-N 1 0 273.424 2.477 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1CCc1cccnc1 ZINC000086223256 179252417 /nfs/dbraw/zinc/25/24/17/179252417.db2.gz QAAJXAFHGVEIPL-UKRRQHHQSA-N 1 0 261.413 2.333 10 0 CEAERO CC[C@@H]1C[NH2+][C@](C)(CC)CN1Cc1nccs1 ZINC000086226856 179253108 /nfs/dbraw/zinc/25/31/08/179253108.db2.gz DTKJKWWSNIUAPS-DGCLKSJQSA-N 1 0 253.415 2.496 10 0 CEAERO CC[C@H]1C[NH2+]C(C)(C)CN1Cc1cnc(C)s1 ZINC000086226789 179253774 /nfs/dbraw/zinc/25/37/74/179253774.db2.gz RBXJFQBWXKJXDB-NSHDSACASA-N 1 0 253.415 2.414 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C2CC2)CN1Cc1nc(C)cs1 ZINC000086227044 179253792 /nfs/dbraw/zinc/25/37/92/179253792.db2.gz DJODIWHYSVBUCR-OLZOCXBDSA-N 1 0 265.426 2.414 10 0 CEAERO [NH3+][C@H]1CCO[C@H]1c1ccc(Br)cc1F ZINC000086249692 179255076 /nfs/dbraw/zinc/25/50/76/179255076.db2.gz FFQFHUHYJUCLRD-UWVGGRQHSA-N 1 0 260.106 2.377 10 0 CEAERO C[C@H]1CNC2(CCCC2)C[N@@H+]1C[C@@H]1CCCOC1 ZINC000086260146 179259214 /nfs/dbraw/zinc/25/92/14/179259214.db2.gz YOEYITRWDPRGNR-KBPBESRZSA-N 1 0 252.402 2.020 10 0 CEAERO Cc1noc(CN2C[C@@H](C3CCCCC3)[NH2+]C[C@@H]2C)n1 ZINC000086260296 179259279 /nfs/dbraw/zinc/25/92/79/179259279.db2.gz ANSXANNCWMFMOP-FZMZJTMJSA-N 1 0 278.400 2.121 10 0 CEAERO Brc1csc(NC[C@H]2CCC[NH2+]C2)n1 ZINC000086290638 179265454 /nfs/dbraw/zinc/26/54/54/179265454.db2.gz QJTQLJAIMUOHPL-ZETCQYMHSA-N 1 0 276.203 2.317 10 0 CEAERO CC[C@H]1CN[C@@H](C2CC2)C[N@@H+]1[C@@H]1CCC[C@@H]1OC ZINC000086261356 179260176 /nfs/dbraw/zinc/26/01/76/179260176.db2.gz VFRCPBBGDQRZJW-YJNKXOJESA-N 1 0 252.402 2.016 10 0 CEAERO Cc1cc(CN2C[C@@H](CC(C)C)[NH2+]C[C@@H]2C)on1 ZINC000086260406 179260633 /nfs/dbraw/zinc/26/06/33/179260633.db2.gz GVEKDCXITSSTGK-QWHCGFSZSA-N 1 0 251.374 2.191 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1Cc1nccn1C ZINC000086264807 179261235 /nfs/dbraw/zinc/26/12/35/179261235.db2.gz FCGGCWFHDATGLK-OLZOCXBDSA-N 1 0 264.417 2.019 10 0 CEAERO C[C@H]1C[NH2+][C@@H](C2CC2)CN1CCOC1CCCC1 ZINC000086265710 179261718 /nfs/dbraw/zinc/26/17/18/179261718.db2.gz MACSWUXNACLEAS-SWLSCSKDSA-N 1 0 252.402 2.018 10 0 CEAERO CC[C@H]1CN(Cc2cscn2)[C@H](C(C)C)C[NH2+]1 ZINC000086265478 179261792 /nfs/dbraw/zinc/26/17/92/179261792.db2.gz SMRNMJHXYYQQFC-AAEUAGOBSA-N 1 0 253.415 2.352 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@H](C2CC2)CN1Cc1cscn1 ZINC000086265437 179262013 /nfs/dbraw/zinc/26/20/13/179262013.db2.gz JGLLWTHKNOIQKM-KBPBESRZSA-N 1 0 265.426 2.352 10 0 CEAERO CC[C@]1(C)C[N@H+]([C@@H]2CCCOC2)[C@H](C(C)C)CN1 ZINC000086265157 179262085 /nfs/dbraw/zinc/26/20/85/179262085.db2.gz XXFMPIMACHXZTE-QLFBSQMISA-N 1 0 254.418 2.264 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C2CC2)CN1CCOC1CCCC1 ZINC000086265678 179262289 /nfs/dbraw/zinc/26/22/89/179262289.db2.gz FJBATFAKGZHABY-GOEBONIOSA-N 1 0 266.429 2.408 10 0 CEAERO CC(C)C[C@H]1CN(Cc2nccs2)CCC[NH2+]1 ZINC000086289977 179264375 /nfs/dbraw/zinc/26/43/75/179264375.db2.gz XLTZFKYMQUEHSF-LBPRGKRZSA-N 1 0 253.415 2.353 10 0 CEAERO Cc1nc(CN2CCC[NH2+][C@@](C)(C3CC3)C2)cs1 ZINC000086290004 179264518 /nfs/dbraw/zinc/26/45/18/179264518.db2.gz NWIQLTDXFKHMMX-CQSZACIVSA-N 1 0 265.426 2.416 10 0 CEAERO c1cc(CCN2CCC[NH2+]C3(CCCC3)C2)ccn1 ZINC000086288763 179264523 /nfs/dbraw/zinc/26/45/23/179264523.db2.gz CDNNAOGJVNJBHN-UHFFFAOYSA-N 1 0 259.397 2.232 10 0 CEAERO CC(C)[C@@H]1CNC(C)(C)C[N@@H+]1CC[C@@H]1CCCO1 ZINC000086258820 179256972 /nfs/dbraw/zinc/25/69/72/179256972.db2.gz PYOXLSDWLIASAP-KBPBESRZSA-N 1 0 254.418 2.264 10 0 CEAERO C[C@H]1CN[C@H](C(C)(C)C)C[N@@H+]1CC[C@@H]1CCCO1 ZINC000086258895 179257105 /nfs/dbraw/zinc/25/71/05/179257105.db2.gz SAOUKWKZUGIBCS-IHRRRGAJSA-N 1 0 254.418 2.264 10 0 CEAERO C[C@H]1CC[C@H](C[NH3+])CN1c1nc(Br)cs1 ZINC000086290926 179265795 /nfs/dbraw/zinc/26/57/95/179265795.db2.gz WKQXYAVYHXRBNT-JGVFFNPUSA-N 1 0 290.230 2.469 10 0 CEAERO C[C@]1(C2CC2)CN(Cc2ccc3c(c2)OCO3)CCC[NH2+]1 ZINC000086295874 179267505 /nfs/dbraw/zinc/26/75/05/179267505.db2.gz IBGORZMOGQXKQY-QGZVFWFLSA-N 1 0 288.391 2.379 10 0 CEAERO C[C@@H]1CN(c2ccc(N3CCCC3)cc2)CCC[NH2+]1 ZINC000086296670 179267602 /nfs/dbraw/zinc/26/76/02/179267602.db2.gz UVTHQUCXMZBXKC-CQSZACIVSA-N 1 0 259.397 2.475 10 0 CEAERO C[C@H]1CN(c2ccc(N3CCCC3)cc2)CCC[NH2+]1 ZINC000086296673 179267841 /nfs/dbraw/zinc/26/78/41/179267841.db2.gz UVTHQUCXMZBXKC-AWEZNQCLSA-N 1 0 259.397 2.475 10 0 CEAERO CCC[C@H]1CN(CCc2nc(C)cs2)CCC[NH2+]1 ZINC000086296769 179267907 /nfs/dbraw/zinc/26/79/07/179267907.db2.gz FWUZZIFLBWAZMM-ZDUSSCGKSA-N 1 0 267.442 2.458 10 0 CEAERO COc1ccc(CN2CCC[NH2+][C@H](C3CC3)C2)c(OC)c1 ZINC000086297686 179268094 /nfs/dbraw/zinc/26/80/94/179268094.db2.gz OXVWYAICZXJTJI-INIZCTEOSA-N 1 0 290.407 2.278 10 0 CEAERO Cc1csc(CCN2CCC[NH2+][C@@H](C3CC3)C2)n1 ZINC000086296797 179268118 /nfs/dbraw/zinc/26/81/18/179268118.db2.gz SQHIRVHYEKZZGH-CYBMUJFWSA-N 1 0 265.426 2.068 10 0 CEAERO Cc1cc2c(N3CCC([NH2+]CC4CC4)CC3)nccn2n1 ZINC000129924794 365906279 /nfs/dbraw/zinc/90/62/79/365906279.db2.gz WVLHWKYEVDWFJV-UHFFFAOYSA-N 1 0 285.395 2.006 10 0 CEAERO CCn1c(C)nnc1C[N@@H+]1CCCCC[C@@H]1C[C@H](C)O ZINC000336841605 365915477 /nfs/dbraw/zinc/91/54/77/365915477.db2.gz SDGRVNSATXCPOX-GXTWGEPZSA-N 1 0 280.416 2.122 10 0 CEAERO [NH3+][C@@H]1CCCc2sc(N3CCCSCC3)nc21 ZINC000086443911 179293479 /nfs/dbraw/zinc/29/34/79/179293479.db2.gz WSDYKGKVTVLARP-SECBINFHSA-N 1 0 269.439 2.423 10 0 CEAERO CC1(C)CN(c2nc3c(s2)CCC[C@H]3[NH3+])CCO1 ZINC000086442913 179293583 /nfs/dbraw/zinc/29/35/83/179293583.db2.gz UUTJHBRCPIUWST-SECBINFHSA-N 1 0 267.398 2.094 10 0 CEAERO CC[NH2+][C@@H]1CCCc2sc(N3CCCOCC3)nc21 ZINC000086444007 179293713 /nfs/dbraw/zinc/29/37/13/179293713.db2.gz ONMFIXJUNRLVAF-LLVKDONJSA-N 1 0 281.425 2.357 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)c1ccc(C)o1 ZINC000086447337 179295542 /nfs/dbraw/zinc/29/55/42/179295542.db2.gz FKQAWYRHBJYMEK-NWDGAFQWSA-N 1 0 250.342 2.191 10 0 CEAERO CC[C@@H]1CN(C(=O)c2ccc(N(C)C)cc2)[C@H](CC)C[NH2+]1 ZINC000086447889 179295843 /nfs/dbraw/zinc/29/58/43/179295843.db2.gz OFBXXLSWMAUKSU-HUUCEWRRSA-N 1 0 289.423 2.355 10 0 CEAERO Cn1ccnc1C[C@@H]([NH3+])c1ccccc1Br ZINC000086486118 179301554 /nfs/dbraw/zinc/30/15/54/179301554.db2.gz JCQYQHUUUILNRY-LLVKDONJSA-N 1 0 280.169 2.425 10 0 CEAERO C[C@@]1(c2nc([C@H]3Cc4ccccc43)no2)CC[NH2+]C1 ZINC000086486217 179302082 /nfs/dbraw/zinc/30/20/82/179302082.db2.gz ISQHKYFJXPNYNK-SWLSCSKDSA-N 1 0 255.321 2.009 10 0 CEAERO Cc1cc(C[C@@H](C)[NH3+])nc([C@H]2Cc3ccccc32)n1 ZINC000086490806 179302668 /nfs/dbraw/zinc/30/26/68/179302668.db2.gz URXLDBNHXDXDMC-BMIGLBTASA-N 1 0 253.349 2.363 10 0 CEAERO CC(C)N(c1ccc(C[NH3+])cc1)S(=O)(=O)CC1CC1 ZINC000086496345 179302670 /nfs/dbraw/zinc/30/26/70/179302670.db2.gz VZGDLJXOAYKNRQ-UHFFFAOYSA-N 1 0 282.409 2.100 10 0 CEAERO C[NH2+][C@H](Cc1cnccc1N)[C@H]1Cc2ccccc21 ZINC000086488959 179302675 /nfs/dbraw/zinc/30/26/75/179302675.db2.gz GHKRXBXVWRKJHS-GOEBONIOSA-N 1 0 253.349 2.134 10 0 CEAERO CC[C@@H]1CN(CCCC(=O)N(CC)CC)[C@@H](CC)C[NH2+]1 ZINC000086463926 179296217 /nfs/dbraw/zinc/29/62/17/179296217.db2.gz CBJNOPTTZNUAIZ-CABCVRRESA-N 1 0 283.460 2.097 10 0 CEAERO COC(OC)[C@H]([NH3+])Cc1ccc(Cl)cc1Cl ZINC000086451799 179296473 /nfs/dbraw/zinc/29/64/73/179296473.db2.gz HUYIDTZZPXNSLA-SNVBAGLBSA-N 1 0 264.152 2.482 10 0 CEAERO NC1=[NH+]C[C@H](c2ccc(Br)s2)N1C1CC1 ZINC000086473064 179300238 /nfs/dbraw/zinc/30/02/38/179300238.db2.gz RHOPTLDROKVHLE-SSDOTTSWSA-N 1 0 286.198 2.344 10 0 CEAERO CCS(=O)(=O)CC[C@]1([NH3+])CCCc2ccccc21 ZINC000086567322 179307547 /nfs/dbraw/zinc/30/75/47/179307547.db2.gz JXQIUQDJHVJJEO-CQSZACIVSA-N 1 0 267.394 2.002 10 0 CEAERO COCCN1CC[C@H]([NH3+])[C@@H]1c1ccc(OC)c(Cl)c1 ZINC000086585222 179310046 /nfs/dbraw/zinc/31/00/46/179310046.db2.gz WPRLTOPTAMAOGW-JSGCOSHPSA-N 1 0 284.787 2.069 10 0 CEAERO [NH3+][C@]1(CO)CC[C@@H](Sc2ccc(Cl)cn2)C1 ZINC000086637077 179314959 /nfs/dbraw/zinc/31/49/59/179314959.db2.gz RDEAYEPIQMKLQU-MWLCHTKSSA-N 1 0 258.774 2.069 10 0 CEAERO CCn1c2ccc(C[NH3+])cc2nc1C1CCOCC1 ZINC000086641750 179315176 /nfs/dbraw/zinc/31/51/76/179315176.db2.gz BFCBQPMNICMLKP-UHFFFAOYSA-N 1 0 259.353 2.409 10 0 CEAERO CO[C@H](C)[C@@H]([NH3+])Cc1cc(F)cc(Br)c1 ZINC000086696448 179320508 /nfs/dbraw/zinc/32/05/08/179320508.db2.gz MHYZAFWFIYVSHS-HQJQHLMTSA-N 1 0 276.149 2.493 10 0 CEAERO C[C@@H](O)c1ccc(N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000103920058 185861171 /nfs/dbraw/zinc/86/11/71/185861171.db2.gz ZPCKOOYNFBWUGK-CZUORRHYSA-N 1 0 260.381 2.414 10 0 CEAERO CCOC[C@@H]([NH3+])Cc1cc(F)cc(Br)c1 ZINC000086696384 179320902 /nfs/dbraw/zinc/32/09/02/179320902.db2.gz GQMZWKDIFSADEF-NSHDSACASA-N 1 0 276.149 2.495 10 0 CEAERO Cc1cc(Br)cnc1N(C)[C@H](C)CC[NH3+] ZINC000086707005 179322034 /nfs/dbraw/zinc/32/20/34/179322034.db2.gz RNCLKOJGQQMLJU-SECBINFHSA-N 1 0 272.190 2.326 10 0 CEAERO CC[NH2+][C@](C)(CO)CCSc1nc(C)c(C)c(C)n1 ZINC000086646821 179316285 /nfs/dbraw/zinc/31/62/85/179316285.db2.gz GZZFPCLWZLUCES-AWEZNQCLSA-N 1 0 283.441 2.245 10 0 CEAERO CC[NH2+][C@H]1CCOC[C@H]1Sc1nc(C)c(C)c(C)n1 ZINC000086646623 179316441 /nfs/dbraw/zinc/31/64/41/179316441.db2.gz YLKCIJBUWWPJLL-QWHCGFSZSA-N 1 0 281.425 2.261 10 0 CEAERO CS(=O)(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1Cl ZINC000086669936 179316941 /nfs/dbraw/zinc/31/69/41/179316941.db2.gz LDRPQRGTDAMDBW-STQMWFEESA-N 1 0 287.812 2.395 10 0 CEAERO CS(=O)(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000086672030 179317750 /nfs/dbraw/zinc/31/77/50/179317750.db2.gz BXOGUJYMFKBKHH-QWHCGFSZSA-N 1 0 287.812 2.395 10 0 CEAERO CC[C@H](CC1CC1)[NH2+][C@H]1CCC[C@@H]1S(C)(=O)=O ZINC000086676136 179319436 /nfs/dbraw/zinc/31/94/36/179319436.db2.gz NDOFWEWEEFKZQR-AGIUHOORSA-N 1 0 259.415 2.120 10 0 CEAERO C[C@@H]1CCC[C@@H]1[NH+]1CCC([N@@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000086776358 179328778 /nfs/dbraw/zinc/32/87/78/179328778.db2.gz YAOGTICICRTWKR-VHDGCEQUSA-N 1 0 280.412 2.188 10 0 CEAERO CCOC[C@@H](O)COC1(C[NH3+])CCC(C(C)(C)C)CC1 ZINC000086713664 179322767 /nfs/dbraw/zinc/32/27/67/179322767.db2.gz MFAUXZDKMRBFFY-NPCAHTBFSA-N 1 0 287.444 2.334 10 0 CEAERO C[C@@H]1CCC[C@](C[NH3+])(OCC(=O)NC2CCCCC2)C1 ZINC000086713057 179322785 /nfs/dbraw/zinc/32/27/85/179322785.db2.gz VPEICTGNRBBKNL-CJNGLKHVSA-N 1 0 282.428 2.360 10 0 CEAERO CCCNC(=O)COC1(C[NH3+])CCC(C(C)C)CC1 ZINC000086713507 179322834 /nfs/dbraw/zinc/32/28/34/179322834.db2.gz ZUMDWLAJTZPPSC-UHFFFAOYSA-N 1 0 270.417 2.073 10 0 CEAERO CCCC1CCC(C[NH3+])(OCCC(=O)NC2CC2)CC1 ZINC000086713409 179322977 /nfs/dbraw/zinc/32/29/77/179322977.db2.gz SZXVMKKPCAAXLU-UHFFFAOYSA-N 1 0 282.428 2.360 10 0 CEAERO CC[C@]1(C(=O)[O-])CCC[N@@H+](C2CC[NH+](C(C)C)CC2)C1 ZINC000086784822 179332554 /nfs/dbraw/zinc/33/25/54/179332554.db2.gz YIWSBHWUFUYPCT-INIZCTEOSA-N 1 0 282.428 2.436 10 0 CEAERO CCS(=O)(=O)c1ccc(N[C@@H]2CCC[N@H+](C)CC2)cc1 ZINC000086817851 179346079 /nfs/dbraw/zinc/34/60/79/179346079.db2.gz HTJGHASCMAFPGE-CYBMUJFWSA-N 1 0 296.436 2.376 10 0 CEAERO CNC(=O)c1cccc(N[C@H]2CCC[N@H+](C)CC2)c1C ZINC000086818326 179346560 /nfs/dbraw/zinc/34/65/60/179346560.db2.gz HXULVUQGGXLLPV-ZDUSSCGKSA-N 1 0 275.396 2.251 10 0 CEAERO CCC[N@@H+]1CCC[C@@]([NH2+][C@@H](C)CC)(C(=O)[O-])CC1 ZINC000086850489 179357757 /nfs/dbraw/zinc/35/77/57/179357757.db2.gz KVXJAFQOHBAHQJ-JSGCOSHPSA-N 1 0 256.390 2.094 10 0 CEAERO Cc1cc(Br)cnc1NC1CC[NH2+]CC1 ZINC000086708387 539601019 /nfs/dbraw/zinc/60/10/19/539601019.db2.gz OKDVRCOECUBNIY-UHFFFAOYSA-N 1 0 270.174 2.316 10 0 CEAERO CC[N@@H+]1CCC[C@H](Nc2c(C)nn(C)c2C)CC1 ZINC000086836487 179350916 /nfs/dbraw/zinc/35/09/16/179350916.db2.gz NFWTWBIYCHLOOY-ZDUSSCGKSA-N 1 0 250.390 2.323 10 0 CEAERO CCC[N@@H+]1CCC[C@H](NCc2cccc(C(N)=O)c2)CC1 ZINC000086837644 179351330 /nfs/dbraw/zinc/35/13/30/179351330.db2.gz SMHMMYPNOWKXBV-INIZCTEOSA-N 1 0 289.423 2.140 10 0 CEAERO COC(=O)[C@@H](N[C@@H]1CCC[N@@H+](C(C)C)CC1)C(C)C ZINC000086837381 179351445 /nfs/dbraw/zinc/35/14/45/179351445.db2.gz JAHJRVWWTMJGOR-KGLIPLIRSA-N 1 0 270.417 2.037 10 0 CEAERO CC(C)[N@@H+]1CCC[C@H](Nc2ccc(CC(N)=O)cc2)CC1 ZINC000086839189 179351725 /nfs/dbraw/zinc/35/17/25/179351725.db2.gz DIUGSPNSDGXJNH-HNNXBMFYSA-N 1 0 289.423 2.389 10 0 CEAERO CC(C)[N@@H+]1CCC[C@H](Nc2ccc(=O)n(C)c2)CC1 ZINC000086841714 179352933 /nfs/dbraw/zinc/35/29/33/179352933.db2.gz BGZBEIUEONPFTM-ZDUSSCGKSA-N 1 0 263.385 2.060 10 0 CEAERO CC(C)[N@@H+]1CCC[C@H](NCc2nccs2)CC1 ZINC000086842586 179353127 /nfs/dbraw/zinc/35/31/27/179353127.db2.gz ATXOQSHSHWBGOO-LBPRGKRZSA-N 1 0 253.415 2.496 10 0 CEAERO CC(C)C[N@H+](CC(=O)[O-])[C@@H]1CCC[NH+](C(C)C)CC1 ZINC000086869089 179362050 /nfs/dbraw/zinc/36/20/50/179362050.db2.gz LENUKLLHCORLMA-CQSZACIVSA-N 1 0 270.417 2.292 10 0 CEAERO C[NH2+][C@@H]1CCCC[C@H]1c1nc(CC(F)(F)F)no1 ZINC000104067249 185890938 /nfs/dbraw/zinc/89/09/38/185890938.db2.gz NCCCQUDMFSBHFV-HTQZYQBOSA-N 1 0 263.263 2.420 10 0 CEAERO CC[C@H](C)[NH2+][C@]1(C(=O)[O-])CCC[N@@H+](C(C)C)CC1 ZINC000086850481 179358131 /nfs/dbraw/zinc/35/81/31/179358131.db2.gz KEVBEDFKHRUWCV-GXTWGEPZSA-N 1 0 256.390 2.092 10 0 CEAERO C1C[NH2+][C@@H](c2nc([C@@H]3CSCCS3)no2)C1 ZINC000086981374 179373060 /nfs/dbraw/zinc/37/30/60/179373060.db2.gz OXYOHLROPKIGPG-SFYZADRCSA-N 1 0 257.384 2.015 10 0 CEAERO CCS(=O)(=O)CCC[C@@H](C[NH3+])Cc1cccc(OC)c1 ZINC000086980705 179373307 /nfs/dbraw/zinc/37/33/07/179373307.db2.gz MQBQFVAFUYZYNU-CQSZACIVSA-N 1 0 299.436 2.028 10 0 CEAERO NC[C@@]1([NH+](CC2CC2)CC2CC2)CCCOCC1 ZINC000086875918 179365488 /nfs/dbraw/zinc/36/54/88/179365488.db2.gz RCUZGUYAVSCGIQ-OAHLLOKOSA-N 1 0 252.402 2.006 10 0 CEAERO [NH3+][C@H](Cc1ccncc1Cl)[C@H]1CSCCS1 ZINC000086983965 179373801 /nfs/dbraw/zinc/37/38/01/179373801.db2.gz HEZSKDOSUCLLPM-GHMZBOCLSA-N 1 0 274.842 2.453 10 0 CEAERO CC[NH2+][C@H](C1CCOCC1)[C@H]1CSCCS1 ZINC000086984382 179374022 /nfs/dbraw/zinc/37/40/22/179374022.db2.gz FVARYLNFTWBBEF-VXGBXAGGSA-N 1 0 261.456 2.240 10 0 CEAERO CC[C@H]1CCC[C@H]([NH2+]CCc2nncn2C)CC1 ZINC000086909060 179367309 /nfs/dbraw/zinc/36/73/09/179367309.db2.gz XDRNDKHHCCGIRB-STQMWFEESA-N 1 0 250.390 2.306 10 0 CEAERO CC1(C)CCC[C@]([NH3+])(CCCS(C)(=O)=O)CC1 ZINC000086898115 179367349 /nfs/dbraw/zinc/36/73/49/179367349.db2.gz MFSZIRLZSRSTOX-ZDUSSCGKSA-N 1 0 261.431 2.499 10 0 CEAERO C[C@@H]1SCCC[C@@H]1[NH2+]CCOCC(F)(F)F ZINC000086945019 179368141 /nfs/dbraw/zinc/36/81/41/179368141.db2.gz JVJWMCHDNCPYPN-IUCAKERBSA-N 1 0 257.321 2.439 10 0 CEAERO COC(=O)[C@]1(N2CC[NH2+]CC2)CCC[C@H](C(C)C)CC1 ZINC000086949874 179368758 /nfs/dbraw/zinc/36/87/58/179368758.db2.gz WCMYXFWEVMBBEV-HOCLYGCPSA-N 1 0 282.428 2.040 10 0 CEAERO CC(C)[C@H]1CCC[C@]([NH2+]CC2CC2)(C(N)=O)CC1 ZINC000086949496 179368860 /nfs/dbraw/zinc/36/88/60/179368860.db2.gz IAYRRYJUAWGFLA-DZGCQCFKSA-N 1 0 252.402 2.446 10 0 CEAERO COC(=O)[C@@]1(N2CC[NH2+]CC2)CCC[C@@H](C(C)C)CC1 ZINC000086949871 179368943 /nfs/dbraw/zinc/36/89/43/179368943.db2.gz WCMYXFWEVMBBEV-GDBMZVCRSA-N 1 0 282.428 2.040 10 0 CEAERO CC[NH2+][C@@H](Cc1nc(CCCOC)no1)C(C)(C)C ZINC000086971815 179370451 /nfs/dbraw/zinc/37/04/51/179370451.db2.gz CXYFDXCXEYFKFU-NSHDSACASA-N 1 0 269.389 2.215 10 0 CEAERO CC[C@H](C)n1ccc(C[C@@H](CCCOC)[NH2+]C)n1 ZINC000086969860 179370454 /nfs/dbraw/zinc/37/04/54/179370454.db2.gz LYJDEEAJPIJZLU-QWHCGFSZSA-N 1 0 253.390 2.411 10 0 CEAERO CCS(=O)(=O)CCCOc1ccc(C[NH3+])cc1Cl ZINC000086972347 179370547 /nfs/dbraw/zinc/37/05/47/179370547.db2.gz VUJAVWQJZPOYPO-UHFFFAOYSA-N 1 0 291.800 2.002 10 0 CEAERO CC[NH2+][C@@H](CC)[C@H](C)c1nc(CCCOC)no1 ZINC000086972127 179370904 /nfs/dbraw/zinc/37/09/04/179370904.db2.gz CBIXYNDVXVKCKE-QWRGUYRKSA-N 1 0 255.362 2.140 10 0 CEAERO CCC[NH2+][C@@H]1CCC[C@H]1CCCS(=O)(=O)CC ZINC000086976284 179371962 /nfs/dbraw/zinc/37/19/62/179371962.db2.gz UQDLGSYPZWUOCD-QWHCGFSZSA-N 1 0 261.431 2.370 10 0 CEAERO CCS(=O)(=O)CCC[C@H]1Cc2ccccc2[C@@H]1[NH2+]C ZINC000086976319 179372117 /nfs/dbraw/zinc/37/21/17/179372117.db2.gz MLYFCRUCDQUQTQ-DZGCQCFKSA-N 1 0 281.421 2.334 10 0 CEAERO Cc1cc([C@@H](O)[C@H](C)C[NH3+])sc1Br ZINC000087018770 179381302 /nfs/dbraw/zinc/38/13/02/179381302.db2.gz MDPZCJKALBSAQH-SVRRBLITSA-N 1 0 264.188 2.447 10 0 CEAERO CC[C@@](C)(O)C[NH2+]C[C@H](O)c1ccccc1Cl ZINC000087028117 179381614 /nfs/dbraw/zinc/38/16/14/179381614.db2.gz KCGAAMMIUPMAHN-QWHCGFSZSA-N 1 0 257.761 2.124 10 0 CEAERO CC[C@@](C)(O)CNC(=O)CC[C@@H](CC[NH3+])C(C)(C)C ZINC000087027121 179381735 /nfs/dbraw/zinc/38/17/35/179381735.db2.gz JTXJGRAGVHDAMI-SWLSCSKDSA-N 1 0 272.433 2.055 10 0 CEAERO CCC(O)(CC)C[NH2+]C[C@@H](O)COC1CCC(C)CC1 ZINC000087028478 179381751 /nfs/dbraw/zinc/38/17/51/179381751.db2.gz CDWYMYMHYSPWKD-SHARSMKWSA-N 1 0 287.444 2.083 10 0 CEAERO CC[NH2+][C@@H](Cc1ccsc1)[C@@H]1CSCCO1 ZINC000086989185 179374400 /nfs/dbraw/zinc/37/44/00/179374400.db2.gz FUQWNJLZNQPMAT-RYUDHWBXSA-N 1 0 257.424 2.401 10 0 CEAERO C[NH2+][C@@H](CCc1cccs1)[C@H]1CSCCO1 ZINC000086988595 179374489 /nfs/dbraw/zinc/37/44/89/179374489.db2.gz TXUBNMSDXFKZKJ-NWDGAFQWSA-N 1 0 257.424 2.401 10 0 CEAERO [NH3+][C@@H](Cc1ccc(Cl)cc1)[C@H]1CSCCO1 ZINC000086987585 179374717 /nfs/dbraw/zinc/37/47/17/179374717.db2.gz LYXHVEPQASTZEK-NWDGAFQWSA-N 1 0 257.786 2.342 10 0 CEAERO CCc1nc(-c2ccc(OC)c(F)c2)[nH+]c(NN)c1C ZINC000086994279 179375892 /nfs/dbraw/zinc/37/58/92/179375892.db2.gz DWFFFKVZNIJYBA-UHFFFAOYSA-N 1 0 276.315 2.448 10 0 CEAERO C[NH2+]C[C@H]1CCN(C)[C@@H]1c1ccc(OC)c(F)c1 ZINC000086994818 179376108 /nfs/dbraw/zinc/37/61/08/179376108.db2.gz DOVFXMWTLZVIHF-BXUZGUMPSA-N 1 0 252.333 2.047 10 0 CEAERO COc1ccc([C@H]2[C@H](C[NH3+])CCN2C2CC2)cc1F ZINC000086994949 179376291 /nfs/dbraw/zinc/37/62/91/179376291.db2.gz POAADTGAXKWGIQ-NHYWBVRUSA-N 1 0 264.344 2.318 10 0 CEAERO CN(C(=O)c1c(F)cc(F)cc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000086997892 179377392 /nfs/dbraw/zinc/37/73/92/179377392.db2.gz QXEGOFAFECVISD-ZACCUICWSA-N 1 0 298.308 2.459 10 0 CEAERO [NH3+]C[C@H]1CCCCN1C(=O)c1c(F)cc(F)cc1F ZINC000086997900 179377488 /nfs/dbraw/zinc/37/74/88/179377488.db2.gz PDMHDNWSQNFQMK-SECBINFHSA-N 1 0 272.270 2.057 10 0 CEAERO O=C(c1c(F)cc(F)cc1F)N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000086997909 179377584 /nfs/dbraw/zinc/37/75/84/179377584.db2.gz VNTFYFIIXKXKPQ-QWHCGFSZSA-N 1 0 298.308 2.461 10 0 CEAERO CC1CCC(O)(C[NH2+]C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000087045679 179388133 /nfs/dbraw/zinc/38/81/33/179388133.db2.gz VRBKQFIKBGWYQY-UHFFFAOYSA-N 1 0 298.427 2.137 10 0 CEAERO CCC1CCC(O)(C[NH2+][C@@H](C)c2cc[nH]n2)CC1 ZINC000087053424 179388629 /nfs/dbraw/zinc/38/86/29/179388629.db2.gz RPCUUDWKTCEKNO-DCBWTQNWSA-N 1 0 251.374 2.392 10 0 CEAERO C[C@H]([NH2+]CC1(O)CCCCC1)C(=O)NC1CCCCC1 ZINC000087029329 179382353 /nfs/dbraw/zinc/38/23/53/179382353.db2.gz SWFYCZZRHJKARP-ZDUSSCGKSA-N 1 0 282.428 2.109 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)OCc1cccc(Cl)c1 ZINC000087090534 179394297 /nfs/dbraw/zinc/39/42/97/179394297.db2.gz PRLAMEZROCQSEH-JOYOIKCWSA-N 1 0 253.729 2.239 10 0 CEAERO C[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)nn1 ZINC000087095600 179394307 /nfs/dbraw/zinc/39/43/07/179394307.db2.gz ZBROXDHGMABARG-UHFFFAOYSA-N 1 0 263.728 2.428 10 0 CEAERO COCC[NH2+]C[C@H](C)OCc1ccc(Cl)cc1 ZINC000087096826 179394365 /nfs/dbraw/zinc/39/43/65/179394365.db2.gz YFOAMIQORULXMG-NSHDSACASA-N 1 0 257.761 2.481 10 0 CEAERO CC1(C)CCC(O)(C[NH2+]C[C@@H](O)COC2CCCC2)CC1 ZINC000087063582 179389873 /nfs/dbraw/zinc/38/98/73/179389873.db2.gz LCMGBVZFSRYMMN-CQSZACIVSA-N 1 0 299.455 2.227 10 0 CEAERO CCC1CCC(O)(C[NH2+]Cc2ccccc2C(N)=O)CC1 ZINC000087065843 179390048 /nfs/dbraw/zinc/39/00/48/179390048.db2.gz QTCKHHDQIQELBB-UHFFFAOYSA-N 1 0 290.407 2.206 10 0 CEAERO CC[C@H](C)NC(=O)[C@H](C)[NH2+]CC1(O)CCC(C)(C)CC1 ZINC000087063965 179390173 /nfs/dbraw/zinc/39/01/73/179390173.db2.gz NITGJNQISMGYCH-STQMWFEESA-N 1 0 284.444 2.211 10 0 CEAERO CC1(C)CCC(O)(C[NH2+][C@@H]2CCCC[C@@H]2O)CC1 ZINC000087063652 179390213 /nfs/dbraw/zinc/39/02/13/179390213.db2.gz LSSIPPKSYQRVDZ-OLZOCXBDSA-N 1 0 255.402 2.211 10 0 CEAERO C[C@@H]1CCC[C@@](O)(C[NH2+]Cc2cn3ccccc3n2)C1 ZINC000087064171 179390301 /nfs/dbraw/zinc/39/03/01/179390301.db2.gz IWKRDMKHFXETCJ-CJNGLKHVSA-N 1 0 273.380 2.365 10 0 CEAERO CCCC1(C(=O)NC[C@]2(O)CCC[C@@H](C)C2)CC[NH2+]CC1 ZINC000087069377 179391248 /nfs/dbraw/zinc/39/12/48/179391248.db2.gz BOIFXGNRIDWWKG-PBHICJAKSA-N 1 0 296.455 2.214 10 0 CEAERO CCCSC[C@@H](Cc1cnccc1N)[NH2+]CC ZINC000087107755 179395524 /nfs/dbraw/zinc/39/55/24/179395524.db2.gz GFTMJFWOYORPGZ-GFCCVEGCSA-N 1 0 253.415 2.328 10 0 CEAERO C[NH2+][C@H](Cc1nc(CSC(C)C)no1)C1CC1 ZINC000087115066 179395637 /nfs/dbraw/zinc/39/56/37/179395637.db2.gz MDHKJMJNTSLYLI-SNVBAGLBSA-N 1 0 255.387 2.252 10 0 CEAERO CC(C)(C)OC(=O)N1CC([NH2+]CC2(O)CCCCCC2)C1 ZINC000087089052 179393569 /nfs/dbraw/zinc/39/35/69/179393569.db2.gz JYJRCUOXTUZWSK-UHFFFAOYSA-N 1 0 298.427 2.281 10 0 CEAERO COc1cc(OC)cc([C@@H]2C[NH2+]CC(C)(C)O2)c1 ZINC000087090446 179394064 /nfs/dbraw/zinc/39/40/64/179394064.db2.gz FJRUZNJSZQIYJA-ZDUSSCGKSA-N 1 0 251.326 2.143 10 0 CEAERO CC[C@@H]1C[NH2+]C[C@@H](c2cc(OC)ccc2OC)O1 ZINC000087090350 179394068 /nfs/dbraw/zinc/39/40/68/179394068.db2.gz ZUGQZOAYRPUSMD-YGRLFVJLSA-N 1 0 251.326 2.143 10 0 CEAERO CC[NH2+][C@@H](CSCC(C)C)Cc1cnn(C)c1 ZINC000087123901 179396517 /nfs/dbraw/zinc/39/65/17/179396517.db2.gz XWKKPIXYCVOBJR-CYBMUJFWSA-N 1 0 255.431 2.330 10 0 CEAERO CC[NH2+][C@H](CCCS(C)(=O)=O)CS[C@@H](C)CC ZINC000087136837 179396840 /nfs/dbraw/zinc/39/68/40/179396840.db2.gz YLKZRWROMJNKFP-NWDGAFQWSA-N 1 0 281.487 2.321 10 0 CEAERO COc1ccc(Cl)cc1CC1(O)CC[NH+](C)CC1 ZINC000087165786 179398619 /nfs/dbraw/zinc/39/86/19/179398619.db2.gz IKCYXYPMMZIWSA-UHFFFAOYSA-N 1 0 269.772 2.348 10 0 CEAERO Cc1oc(C)c(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])c1C ZINC000087188257 179399900 /nfs/dbraw/zinc/39/99/00/179399900.db2.gz BUCUACZNFRKIJB-VXGBXAGGSA-N 1 0 250.342 2.062 10 0 CEAERO CC[NH2+][C@@H](C[C@@H]1CCCO1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000087213768 179402602 /nfs/dbraw/zinc/40/26/02/179402602.db2.gz ZUDMCYSCORSLOA-AAEUAGOBSA-N 1 0 275.352 2.076 10 0 CEAERO CCOCC[C@H](O)[C@H](C[NH3+])c1c(F)cccc1Cl ZINC000087349339 179415172 /nfs/dbraw/zinc/41/51/72/179415172.db2.gz UZSWPRXOUUVIBG-CABZTGNLSA-N 1 0 275.751 2.309 10 0 CEAERO COc1ccc([C@@H](C[NH3+])[C@H](O)CCc2ccco2)cc1 ZINC000087354274 179415592 /nfs/dbraw/zinc/41/55/92/179415592.db2.gz UPXNZYYFJXRZJG-HZPDHXFCSA-N 1 0 275.348 2.324 10 0 CEAERO CCC[C@H](C[NH3+])NC(=O)c1cc(Cl)cn1CC ZINC000087387077 179419139 /nfs/dbraw/zinc/41/91/39/179419139.db2.gz AVUBCIRGZWPJMP-SNVBAGLBSA-N 1 0 257.765 2.019 10 0 CEAERO CCC[C@@H](C[NH3+])NS(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000087403932 179419905 /nfs/dbraw/zinc/41/99/05/179419905.db2.gz HGNMMPZRYIMURY-AWEZNQCLSA-N 1 0 298.452 2.291 10 0 CEAERO CC(C)(C)c1nnsc1C(=O)N[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000087455740 179427846 /nfs/dbraw/zinc/42/78/46/179427846.db2.gz OCUDWULSLAEASR-VHSXEESVSA-N 1 0 296.440 2.225 10 0 CEAERO CCCc1nsc(N2CCC[C@@H](CC[NH3+])C2)n1 ZINC000087642764 179462664 /nfs/dbraw/zinc/46/26/64/179462664.db2.gz CNUJANRFPJFDLE-JTQLQIEISA-N 1 0 254.403 2.056 10 0 CEAERO CCCc1nsc(NC[C@@H]2CCCC[C@H]2[NH3+])n1 ZINC000087644509 179463668 /nfs/dbraw/zinc/46/36/68/179463668.db2.gz NVSNSBHNSKDPRL-VHSXEESVSA-N 1 0 254.403 2.420 10 0 CEAERO [NH3+][C@@H]1CC[C@](O)(Cc2cccc(Br)c2)C1 ZINC000087654027 179463887 /nfs/dbraw/zinc/46/38/87/179463887.db2.gz MDFVEAMQGSOOPK-NEPJUHHUSA-N 1 0 270.170 2.234 10 0 CEAERO Cc1c(NC(=O)CCC(C)(C)CC[NH3+])cccc1C(N)=O ZINC000087693646 179471367 /nfs/dbraw/zinc/47/13/67/179471367.db2.gz VOYVEMYMGFKHPR-UHFFFAOYSA-N 1 0 291.395 2.188 10 0 CEAERO C[C@@H]([NH3+])[C@@H](Sc1ncns1)c1ccncc1 ZINC000087513749 179437906 /nfs/dbraw/zinc/43/79/06/179437906.db2.gz LRWMRSVYTKMCFE-VXNVDRBHSA-N 1 0 252.368 2.114 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000087517497 179438567 /nfs/dbraw/zinc/43/85/67/179438567.db2.gz NDJDNSWNKCNIRC-GFCCVEGCSA-N 1 0 272.352 2.186 10 0 CEAERO CC[C@H](C[NH3+])C(=O)N1CCC(c2ccccc2)CC1 ZINC000087525223 179440611 /nfs/dbraw/zinc/44/06/11/179440611.db2.gz IRUNPZUREMNNEL-CYBMUJFWSA-N 1 0 260.381 2.378 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)N(Cc1ccc(F)cc1F)C1CC1 ZINC000087525604 179440905 /nfs/dbraw/zinc/44/09/05/179440905.db2.gz CDFOANZWACQJPT-JTQLQIEISA-N 1 0 282.334 2.441 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)N(CC)[C@@H](C)c1cccc(O)c1 ZINC000087528367 179441455 /nfs/dbraw/zinc/44/14/55/179441455.db2.gz QTWHWSMLNLOYQA-RYUDHWBXSA-N 1 0 264.369 2.287 10 0 CEAERO CC[C@H](C[NH3+])C(=O)N(Cc1cccs1)C(C)C ZINC000087533100 179442759 /nfs/dbraw/zinc/44/27/59/179442759.db2.gz HHBIMPVVBLOBKL-LLVKDONJSA-N 1 0 254.399 2.470 10 0 CEAERO C[NH2+][C@@](C)(CC(=O)OC)c1cc(C)ccc1OC ZINC000087553097 179444959 /nfs/dbraw/zinc/44/49/59/179444959.db2.gz VHWXSGNRUKPJFI-AWEZNQCLSA-N 1 0 251.326 2.001 10 0 CEAERO C[NH2+][C@H](c1sccc1Br)[C@H]1COCCO1 ZINC000087570211 179447801 /nfs/dbraw/zinc/44/78/01/179447801.db2.gz UHDPHDVPWQWHNS-BDAKNGLRSA-N 1 0 292.198 2.187 10 0 CEAERO C[NH2+]C1(CC(=O)N2CCO[C@@H]3CCC[C@@H]32)CCCCC1 ZINC000087577612 179449451 /nfs/dbraw/zinc/44/94/51/179449451.db2.gz XYSJFCHDVBGEKY-UONOGXRCSA-N 1 0 280.412 2.079 10 0 CEAERO CC(C)[C@@H](C)N(C)C(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000087617317 179454972 /nfs/dbraw/zinc/45/49/72/179454972.db2.gz IFYXHUHVSGFTDY-DOMZBBRYSA-N 1 0 260.381 2.376 10 0 CEAERO C[C@@H]1CCC[C@H](Nc2nc(NN)[nH+]cc2F)[C@@H]1C ZINC000087904934 179516948 /nfs/dbraw/zinc/51/69/48/179516948.db2.gz WZKRFQVIXUEELV-MRTMQBJTSA-N 1 0 253.325 2.138 10 0 CEAERO CC(C)CCN(C)c1cc(NN)[nH+]c(C(C)C)n1 ZINC000087909634 179517662 /nfs/dbraw/zinc/51/76/62/179517662.db2.gz KPDIRUUIKDYZRA-UHFFFAOYSA-N 1 0 251.378 2.368 10 0 CEAERO COc1ccc(N[C@@]2(C[NH3+])CCO[C@H](C)C2)cc1 ZINC000087910676 179518195 /nfs/dbraw/zinc/51/81/95/179518195.db2.gz SXHNBTZGHKFTOI-RISCZKNCSA-N 1 0 250.342 2.004 10 0 CEAERO CC(=O)Nc1ccc([C@H]2C[N@@H+](C(C)(C)C)CCN2)cc1 ZINC000616632640 348540912 /nfs/dbraw/zinc/54/09/12/348540912.db2.gz UNTDBSDFKLOXSC-OAHLLOKOSA-N 1 0 275.396 2.390 10 0 CEAERO CC[N@@H+]1CCCO[C@H](c2cccc3ccnnc32)C1 ZINC000616650098 348547569 /nfs/dbraw/zinc/54/75/69/348547569.db2.gz SVCBGDVOKYKYEI-AWEZNQCLSA-N 1 0 257.337 2.413 10 0 CEAERO Cc1c(NCC(C)C)nc(C(C)(C)C)[nH+]c1NN ZINC000087918929 179523499 /nfs/dbraw/zinc/52/34/99/179523499.db2.gz LCQCEYONERPZEO-UHFFFAOYSA-N 1 0 251.378 2.436 10 0 CEAERO CC[N@@H+]1CCCOC[C@H]1c1cccc2nnccc21 ZINC000616649625 348547870 /nfs/dbraw/zinc/54/78/70/348547870.db2.gz NZXYPJOTHBNGLS-HNNXBMFYSA-N 1 0 257.337 2.413 10 0 CEAERO Cc1nn([C@H]2CC[C@H]2C[NH3+])c(C)c1Br ZINC000087923534 179523941 /nfs/dbraw/zinc/52/39/41/179523941.db2.gz XJSPHLBAFZZBRV-IUCAKERBSA-N 1 0 258.163 2.172 10 0 CEAERO CCOC(=O)c1ccc([C@@H]2C[N@H+](C)CCCO2)cc1 ZINC000616650680 348548052 /nfs/dbraw/zinc/54/80/52/348548052.db2.gz GZNJTLDRKOGIRE-AWEZNQCLSA-N 1 0 263.337 2.257 10 0 CEAERO CCCn1ccnc1[C@@H]([NH2+]CC)C1CCOCC1 ZINC000087811706 179490489 /nfs/dbraw/zinc/49/04/89/179490489.db2.gz OYMVFODWOHRGHM-ZDUSSCGKSA-N 1 0 251.374 2.370 10 0 CEAERO C[NH2+]C[C@@H](C)Cc1c(C)nc([C@@H]2CCCOC2)nc1C ZINC000087815581 179491774 /nfs/dbraw/zinc/49/17/74/179491774.db2.gz VEOJSCZZHDMVAS-SMDDNHRTSA-N 1 0 277.412 2.385 10 0 CEAERO CC(C)(C)[N@@H+]1CCOCC[C@@H]1c1cccc(C(N)=O)c1 ZINC000616655887 348550147 /nfs/dbraw/zinc/55/01/47/348550147.db2.gz KXZIUCHMWBLHEK-CQSZACIVSA-N 1 0 276.380 2.347 10 0 CEAERO [NH3+][C@@H](Cc1cccc2ccccc21)[C@@H]1COCCO1 ZINC000087857387 179502490 /nfs/dbraw/zinc/50/24/90/179502490.db2.gz BHHUYYJVAWXOLS-HOTGVXAUSA-N 1 0 257.333 2.125 10 0 CEAERO CC[C@H]1CC[NH2+]C[C@H]1NC(=O)C(C)(C)c1ccccc1 ZINC000616569973 348523463 /nfs/dbraw/zinc/52/34/63/348523463.db2.gz LEGXXGCAANQNRA-DZGCQCFKSA-N 1 0 274.408 2.469 10 0 CEAERO C/C=C/C(=O)N1CC[C@H](c2cccc(F)c2)[C@@H]([NH3+])C1 ZINC000616569378 348523642 /nfs/dbraw/zinc/52/36/42/348523642.db2.gz IWZXQWTXOXVFQT-UXLGEMMMSA-N 1 0 262.328 2.045 10 0 CEAERO CC(C)(C)OC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000616578770 348525703 /nfs/dbraw/zinc/52/57/03/348525703.db2.gz PZGVLTYXTHUJTP-UHFFFAOYSA-N 1 0 250.342 2.368 10 0 CEAERO OCCc1ccc([C@@H]2[NH2+]CCc3ccccc32)cc1 ZINC000616586878 348526665 /nfs/dbraw/zinc/52/66/65/348526665.db2.gz INXBPDJIHZOXNT-KRWDZBQOSA-N 1 0 253.345 2.457 10 0 CEAERO CC[N@@H+]1CCO[C@@H](c2cccc3nnccc32)CC1 ZINC000616593740 348528325 /nfs/dbraw/zinc/52/83/25/348528325.db2.gz LJDKNFHNBZKMNS-OAHLLOKOSA-N 1 0 257.337 2.413 10 0 CEAERO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)CCO1 ZINC000616595798 348528368 /nfs/dbraw/zinc/52/83/68/348528368.db2.gz PXHWZLQJKIKDLP-GFCCVEGCSA-N 1 0 286.416 2.401 10 0 CEAERO c1ccc(C[N@@H+]2CCOC[C@@H](c3ccnnc3)C2)cc1 ZINC000616598718 348530579 /nfs/dbraw/zinc/53/05/79/348530579.db2.gz QCFUKQFGBPZBGK-INIZCTEOSA-N 1 0 269.348 2.093 10 0 CEAERO CC(C)(C)OC(=O)N1CCOCC[C@H]1c1ccnc(N)c1 ZINC000616659550 348551081 /nfs/dbraw/zinc/55/10/81/348551081.db2.gz OXBVPDZULGCCCW-LBPRGKRZSA-N 1 0 293.367 2.193 10 0 CEAERO CCOC(=O)N1CC[NH2+]C[C@H]1c1cccc2ccncc21 ZINC000616605058 348532942 /nfs/dbraw/zinc/53/29/42/348532942.db2.gz QNDZJCFXQRENNJ-HNNXBMFYSA-N 1 0 285.347 2.338 10 0 CEAERO CC[N@@H+]1CCOC[C@H](c2ccc3ccnnc3c2)C1 ZINC000616659341 348551323 /nfs/dbraw/zinc/55/13/23/348551323.db2.gz IOPPLWFRCPAWGT-CQSZACIVSA-N 1 0 257.337 2.066 10 0 CEAERO OCC[N@@H+]1CCC[C@H](c2cncc3ccccc32)C1 ZINC000616618145 348535521 /nfs/dbraw/zinc/53/55/21/348535521.db2.gz OPFLEXIYMDKCKD-AWEZNQCLSA-N 1 0 256.349 2.407 10 0 CEAERO CCOC(=O)c1ccc(C2CCN(CC[NH3+])CC2)cc1 ZINC000616620290 348537213 /nfs/dbraw/zinc/53/72/13/348537213.db2.gz UTDRKTTUBPZERO-UHFFFAOYSA-N 1 0 276.380 2.001 10 0 CEAERO [NH3+]CCN1CCC[C@H](c2ccc3ccccc3n2)C1 ZINC000616621477 348537249 /nfs/dbraw/zinc/53/72/49/348537249.db2.gz PIAXAUUYPLGMEP-AWEZNQCLSA-N 1 0 255.365 2.373 10 0 CEAERO CCCc1nsc(N2CCC[C@H](C)[C@@H]2C[NH3+])n1 ZINC000087642783 539652255 /nfs/dbraw/zinc/65/22/55/539652255.db2.gz FKKMYMQOUFYLAQ-UWVGGRQHSA-N 1 0 254.403 2.054 10 0 CEAERO CCCc1nsc(N2CCC[C@@H](C)[C@@H]2C[NH3+])n1 ZINC000087642784 539652377 /nfs/dbraw/zinc/65/23/77/539652377.db2.gz FKKMYMQOUFYLAQ-ZJUUUORDSA-N 1 0 254.403 2.054 10 0 CEAERO CCS(=O)(=O)CC[C@@H](C[NH2+]C1CC1)c1ccccc1 ZINC000088098561 179547110 /nfs/dbraw/zinc/54/71/10/179547110.db2.gz DCUCJBXKHHQEAV-AWEZNQCLSA-N 1 0 281.421 2.347 10 0 CEAERO O=[S@](Cc1cc(Cl)ccc1Cl)CC1C[NH2+]C1 ZINC000088090754 179547296 /nfs/dbraw/zinc/54/72/96/179547296.db2.gz BUTWNXQIOCFLSJ-MRXNPFEDSA-N 1 0 278.204 2.462 10 0 CEAERO Cc1noc(COc2cccc3c2CCC[C@H]3[NH3+])n1 ZINC000088151327 179558002 /nfs/dbraw/zinc/55/80/02/179558002.db2.gz AMAUVHLWJXCXJK-GFCCVEGCSA-N 1 0 259.309 2.293 10 0 CEAERO COc1ccc([C@@H](C[NH3+])C[C@H](C)O)cc1Br ZINC000088187276 179561075 /nfs/dbraw/zinc/56/10/75/179561075.db2.gz NGPSMKWDCAPRGQ-WCBMZHEXSA-N 1 0 288.185 2.271 10 0 CEAERO Cc1ccnc(Cl)c1NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000088189050 179562318 /nfs/dbraw/zinc/56/23/18/179562318.db2.gz FATKOVHFNHWQJZ-VIFPVBQESA-N 1 0 253.733 2.124 10 0 CEAERO c1ncc([C@H]2COCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000616662704 348553534 /nfs/dbraw/zinc/55/35/34/348553534.db2.gz KESITHRCVZGOJP-CQSZACIVSA-N 1 0 258.321 2.291 10 0 CEAERO [NH3+]CCN1c2ccccc2CC[C@H]1OC(F)(F)F ZINC000616671534 348555936 /nfs/dbraw/zinc/55/59/36/348555936.db2.gz WXXSZXXKFVTYOQ-LLVKDONJSA-N 1 0 260.259 2.260 10 0 CEAERO Nc1ccc([C@@H]2Cc3ccccc3N(CC[NH3+])C2)cc1 ZINC000616672705 348556898 /nfs/dbraw/zinc/55/68/98/348556898.db2.gz LPGWXRDXGKVHQV-OAHLLOKOSA-N 1 0 267.376 2.374 10 0 CEAERO NC(=O)c1cccc([C@H]2[NH2+]CCc3ccccc32)c1 ZINC000616679466 348558085 /nfs/dbraw/zinc/55/80/85/348558085.db2.gz BHLZGYWJMLBEPP-OAHLLOKOSA-N 1 0 252.317 2.021 10 0 CEAERO Nc1cccc([C@H]2c3ccccc3CC[N@H+]2CCO)c1 ZINC000616678790 348558219 /nfs/dbraw/zinc/55/82/19/348558219.db2.gz MNNNMPJTMXCKDS-KRWDZBQOSA-N 1 0 268.360 2.209 10 0 CEAERO [NH3+]CCN1c2ccccc2NC[C@H]1c1ccncc1 ZINC000616682169 348559386 /nfs/dbraw/zinc/55/93/86/348559386.db2.gz DRYXERTVURGSEI-HNNXBMFYSA-N 1 0 254.337 2.014 10 0 CEAERO [NH3+]CCN1c2ccccc2NC[C@H]1c1ccccc1CO ZINC000616686714 348560925 /nfs/dbraw/zinc/56/09/25/348560925.db2.gz PXUJEUSMTNFLTP-KRWDZBQOSA-N 1 0 283.375 2.111 10 0 CEAERO CCN(CC)CC[NH2+]CCN1CCC(C(F)(F)F)CC1 ZINC000088438318 179601525 /nfs/dbraw/zinc/60/15/25/179601525.db2.gz VQXFBNSDPPGNHR-UHFFFAOYSA-N 1 0 295.393 2.192 10 0 CEAERO COc1ccc(COc2c(C)nn(C)c2C)cc1C[NH3+] ZINC000088453191 179607151 /nfs/dbraw/zinc/60/71/51/179607151.db2.gz NTCMIPJLWGKTGL-UHFFFAOYSA-N 1 0 275.352 2.083 10 0 CEAERO c1cncc(O[C@@H]2CC[N@@H+](CC[C@H]3CCCO3)C2)c1 ZINC000249284605 539657695 /nfs/dbraw/zinc/65/76/95/539657695.db2.gz LJYHTKKRWKVLJM-UKRRQHHQSA-N 1 0 262.353 2.104 10 0 CEAERO CCC[NH2+][C@@H](C)CCCn1c(=O)oc2cccnc21 ZINC000088396843 179590895 /nfs/dbraw/zinc/59/08/95/179590895.db2.gz NFFBNPMIVMPPSF-NSHDSACASA-N 1 0 263.341 2.158 10 0 CEAERO [NH3+][C@@H](Cc1ccccc1)[C@H](O)COc1cc(F)cc(F)c1 ZINC000088398162 179592285 /nfs/dbraw/zinc/59/22/85/179592285.db2.gz PKOOQNSKDGDQRJ-JKSUJKDBSA-N 1 0 293.313 2.275 10 0 CEAERO COCc1cccc([C@H](O)[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000088552462 179621164 /nfs/dbraw/zinc/62/11/64/179621164.db2.gz FVULEBYYXGFHGG-IRXDYDNUSA-N 1 0 271.360 2.436 10 0 CEAERO CC[NH2+][C@H](CC)c1ccccc1OCc1ncnn1C ZINC000088571647 179628339 /nfs/dbraw/zinc/62/83/39/179628339.db2.gz JEPJGUVISIKUFH-CYBMUJFWSA-N 1 0 274.368 2.455 10 0 CEAERO CCCN(Cc1ncnn1CCC)[C@@](C)(CC)C[NH3+] ZINC000088586013 179631195 /nfs/dbraw/zinc/63/11/95/179631195.db2.gz LIAKHFOQPNUHSG-AWEZNQCLSA-N 1 0 267.421 2.028 10 0 CEAERO CCCn1ncnc1C[C@@](C)([NH3+])Cc1ccccc1 ZINC000088607208 179636726 /nfs/dbraw/zinc/63/67/26/179636726.db2.gz YGFOQCAVZGIPIU-HNNXBMFYSA-N 1 0 258.369 2.191 10 0 CEAERO CC[C@H](C)SC[C@H]([NH3+])Cc1ncnn1CC(C)C ZINC000088612820 179639902 /nfs/dbraw/zinc/63/99/02/179639902.db2.gz IWHFKFGEOCMFKF-NWDGAFQWSA-N 1 0 270.446 2.336 10 0 CEAERO CCCn1ncnc1C[C@H](C[NH3+])Cc1ccccc1 ZINC000088619892 179640364 /nfs/dbraw/zinc/64/03/64/179640364.db2.gz RJIKRRBOGZZPRS-CQSZACIVSA-N 1 0 258.369 2.048 10 0 CEAERO CC(C)Cn1ncnc1C[C@]1(C[NH2+]C(C)(C)C)CCOC1 ZINC000088621674 179641215 /nfs/dbraw/zinc/64/12/15/179641215.db2.gz MWODYBGLCIDONW-INIZCTEOSA-N 1 0 294.443 2.271 10 0 CEAERO CC[NH2+][C@H]1CC[C@@H](Cc2ncnn2CC(C)C)C1 ZINC000088624017 179641780 /nfs/dbraw/zinc/64/17/80/179641780.db2.gz ZQFREUKALJBSDA-OLZOCXBDSA-N 1 0 250.390 2.255 10 0 CEAERO CCC1(CC)C[NH2+][C@@H](C)CN1Cc1ncnn1C(C)C ZINC000088625064 179641839 /nfs/dbraw/zinc/64/18/39/179641839.db2.gz IVLDWDCPXIPSBY-ZDUSSCGKSA-N 1 0 279.432 2.212 10 0 CEAERO CCCn1ncnc1C[C@@]1(C[NH3+])CCc2ccccc2C1 ZINC000088626937 179642909 /nfs/dbraw/zinc/64/29/09/179642909.db2.gz OQBQABZBLCAVGC-QGZVFWFLSA-N 1 0 284.407 2.365 10 0 CEAERO CCn1ncnc1CN1C[C@H](C2CC2)[NH2+]CC1(CC)CC ZINC000088625792 179643073 /nfs/dbraw/zinc/64/30/73/179643073.db2.gz UHOYYTFQUBQYSG-CQSZACIVSA-N 1 0 291.443 2.041 10 0 CEAERO [NH3+]C1CCC(C(=O)N2CCC[C@@H]3CCC[C@H]32)CC1 ZINC000087769563 539662571 /nfs/dbraw/zinc/66/25/71/539662571.db2.gz ABRGXLMUICGCFB-GFJIZPEISA-N 1 0 250.386 2.295 10 0 CEAERO C[C@@H]([NH3+])[C@@](O)(Cc1ccnc2ccccc12)C(F)(F)F ZINC000088529771 179618140 /nfs/dbraw/zinc/61/81/40/179618140.db2.gz TUUPXECYRSKDSZ-RNCFNFMXSA-N 1 0 284.281 2.418 10 0 CEAERO COc1ccc(C[C@H]([NH3+])Cc2ccccn2)cc1OC ZINC000088529959 179618385 /nfs/dbraw/zinc/61/83/85/179618385.db2.gz BJRQRCFXFVHNHV-ZDUSSCGKSA-N 1 0 272.348 2.211 10 0 CEAERO CCOCc1noc(CC[C@H]([NH3+])c2ccccc2)n1 ZINC000088737453 179661641 /nfs/dbraw/zinc/66/16/41/179661641.db2.gz ULGKFGOPORYVBA-LBPRGKRZSA-N 1 0 261.325 2.239 10 0 CEAERO Cc1cc(C[NH2+]C(C)C)cc(S(=O)(=O)NC(C)C)c1C ZINC000088976808 179689615 /nfs/dbraw/zinc/68/96/15/179689615.db2.gz YTQBSYIJMYTMBX-UHFFFAOYSA-N 1 0 298.452 2.488 10 0 CEAERO CC[NH2+]CCCc1ccc(S(=O)(=O)NCC(C)C)cc1 ZINC000088980341 179689753 /nfs/dbraw/zinc/68/97/53/179689753.db2.gz UHIRQQDIJNXCCL-UHFFFAOYSA-N 1 0 298.452 2.163 10 0 CEAERO C[NH2+]CCCc1nnc(-c2cccc(OC)c2)s1 ZINC000088811753 179676240 /nfs/dbraw/zinc/67/62/40/179676240.db2.gz MYTUFTOHLHEEOQ-UHFFFAOYSA-N 1 0 263.366 2.366 10 0 CEAERO Cc1cccc(OCCC(=O)N(C)[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000089110360 179705018 /nfs/dbraw/zinc/70/50/18/179705018.db2.gz FLIICNROQGHGCL-GOEBONIOSA-N 1 0 290.407 2.350 10 0 CEAERO Cc1ncsc1C(=O)N(C)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089131990 179713385 /nfs/dbraw/zinc/71/33/85/179713385.db2.gz UJIQPGMHGNKFIW-MNOVXSKESA-N 1 0 267.398 2.041 10 0 CEAERO Cn1cnnc1-c1ccc(N[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000089142005 179720559 /nfs/dbraw/zinc/72/05/59/179720559.db2.gz UILZQPIMKJCOCB-UKRRQHHQSA-N 1 0 285.395 2.412 10 0 CEAERO CCN(C(=O)c1cc(Cl)c[nH]1)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089114190 179708548 /nfs/dbraw/zinc/70/85/48/179708548.db2.gz OGAVZKAUPKIMGQ-JOYOIKCWSA-N 1 0 269.776 2.258 10 0 CEAERO CCN(C(=O)c1scnc1C)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089114912 179709595 /nfs/dbraw/zinc/70/95/95/179709595.db2.gz MIFPNQUMWIHFER-GHMZBOCLSA-N 1 0 267.398 2.041 10 0 CEAERO CCc1ncnc(NCc2ccc3c(c2)C[NH2+]C3)c1F ZINC000234218256 539694646 /nfs/dbraw/zinc/69/46/46/539694646.db2.gz PPDMAOUNTPBKPW-UHFFFAOYSA-N 1 0 272.327 2.393 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C)CN1Cc1nn(C)c2ccccc12 ZINC000089180283 179744029 /nfs/dbraw/zinc/74/40/29/179744029.db2.gz IQZNCPGPWFYBKB-QWHCGFSZSA-N 1 0 272.396 2.146 10 0 CEAERO C[C@H]([NH2+]C[C@H]1CCCO1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400427977 233177785 /nfs/dbraw/zinc/17/77/85/233177785.db2.gz ZDDSFXNZQLHVMH-BFHYXJOUSA-N 1 0 298.427 2.401 10 0 CEAERO Cc1ccc(C(=O)CC[N@@H+]2C[C@@H](C)C[C@H](O)C2)cc1 ZINC000401917450 233186036 /nfs/dbraw/zinc/18/60/36/233186036.db2.gz UXGAMHPFCBAPOG-ZFWWWQNUSA-N 1 0 261.365 2.271 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1ccc2c(c1)CCC2 ZINC000089449228 539716260 /nfs/dbraw/zinc/71/62/60/539716260.db2.gz CRLWTOXVFGPPHG-DZGCQCFKSA-N 1 0 258.365 2.489 10 0 CEAERO COc1cccc(C[C@H](C)[NH3+])c1OCc1cc(C)nn1C ZINC000089202243 179752901 /nfs/dbraw/zinc/75/29/01/179752901.db2.gz ZOZJHZHERUYDAM-NSHDSACASA-N 1 0 289.379 2.206 10 0 CEAERO CN(C)c1ccccc1NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089453439 539716598 /nfs/dbraw/zinc/71/65/98/539716598.db2.gz BEDBUIUYZMQTHV-NWDGAFQWSA-N 1 0 261.369 2.066 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1ccccc1-n1ccnc1 ZINC000089451597 539717260 /nfs/dbraw/zinc/71/72/60/539717260.db2.gz CRFUGOGCRYSXOG-OLZOCXBDSA-N 1 0 284.363 2.186 10 0 CEAERO CC[C@H]1C[NH2+]C(C)(C)CN1Cc1cc(C)nn1CC ZINC000089209396 179755153 /nfs/dbraw/zinc/75/51/53/179755153.db2.gz QQPKXFXPPDPSTE-ZDUSSCGKSA-N 1 0 264.417 2.174 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N(CC1CC1)CC1CC1 ZINC000089462906 539718862 /nfs/dbraw/zinc/71/88/62/539718862.db2.gz MGRPFFLNQWWGTH-KBPBESRZSA-N 1 0 250.386 2.010 10 0 CEAERO CC[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1nccs1 ZINC000089463146 539718907 /nfs/dbraw/zinc/71/89/07/539718907.db2.gz GTTOKEDHERBTRA-MXWKQRLJSA-N 1 0 267.398 2.085 10 0 CEAERO CCc1nn(C)c(CN2C[C@@H](C)[NH2+]C[C@@H]2CC)c1Cl ZINC000089346159 179771612 /nfs/dbraw/zinc/77/16/12/179771612.db2.gz XOVLWPDIEBXWHG-MNOVXSKESA-N 1 0 284.835 2.208 10 0 CEAERO CCc1nn(CC)c(CN2CCC[C@@H]([NH3+])C2)c1Cl ZINC000089353340 179772102 /nfs/dbraw/zinc/77/21/02/179772102.db2.gz AGULNZSONHDUBK-SNVBAGLBSA-N 1 0 270.808 2.042 10 0 CEAERO CCn1nc(C)c(Cl)c1CN(CC[NH3+])C(C)C ZINC000089279421 179764775 /nfs/dbraw/zinc/76/47/75/179764775.db2.gz UQXPZSHCTTZVGC-UHFFFAOYSA-N 1 0 258.797 2.034 10 0 CEAERO CC(C)N(CC1CC1)C(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089396789 179779895 /nfs/dbraw/zinc/77/98/95/179779895.db2.gz XZYJCZFTRKQODC-UONOGXRCSA-N 1 0 252.402 2.399 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1cccc(-n2cccn2)c1 ZINC000089451461 179792279 /nfs/dbraw/zinc/79/22/79/179792279.db2.gz QGELNDWGZKCGQM-DOMZBBRYSA-N 1 0 284.363 2.186 10 0 CEAERO COc1ccc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])cc1F ZINC000089450535 179792312 /nfs/dbraw/zinc/79/23/12/179792312.db2.gz JJDQEFTYLOVEIY-GXSJLCMTSA-N 1 0 266.316 2.148 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCCc1c[nH]c2ccccc12 ZINC000089459981 179795353 /nfs/dbraw/zinc/79/53/53/179795353.db2.gz YTMCQRPTNQEHQQ-WFASDCNBSA-N 1 0 285.391 2.202 10 0 CEAERO NC(=O)c1ccc(OC[C@H]2CCC[C@@H]2C[NH3+])cc1Cl ZINC000089538326 179813423 /nfs/dbraw/zinc/81/34/23/179813423.db2.gz LHHYDUAMXTVSHX-NXEZZACHSA-N 1 0 282.771 2.193 10 0 CEAERO CC1(C)CCCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089482332 179800624 /nfs/dbraw/zinc/80/06/24/179800624.db2.gz ONDANTVYKRWGBS-OLZOCXBDSA-N 1 0 252.402 2.400 10 0 CEAERO CCS(=O)(=O)c1ccc(NC[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089501413 179805569 /nfs/dbraw/zinc/80/55/69/179805569.db2.gz PRMZCXAKDVACRY-CHWSQXEVSA-N 1 0 296.436 2.267 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1CNC(=O)CC1CCCC1 ZINC000089530529 179810733 /nfs/dbraw/zinc/81/07/33/179810733.db2.gz LGDZNDIOOGPNBR-UONOGXRCSA-N 1 0 252.402 2.448 10 0 CEAERO C[C@@H](Cc1cccc(Cl)c1)NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000089742175 179857353 /nfs/dbraw/zinc/85/73/53/179857353.db2.gz ABTKXLJTICFMLD-AAEUAGOBSA-N 1 0 280.799 2.387 10 0 CEAERO O=C(C[C@H]1CC[NH2+]C1)N[C@H]1CCCc2ccccc21 ZINC000089741611 539730068 /nfs/dbraw/zinc/73/00/68/539730068.db2.gz MSCTUFRIPCGALF-DOMZBBRYSA-N 1 0 258.365 2.180 10 0 CEAERO COc1ccc([C@H]2C[NH2+]C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC000068575205 362944760 /nfs/dbraw/zinc/94/47/60/362944760.db2.gz NTUSMEQMZHLYMM-ZIAGYGMSSA-N 1 0 292.379 2.275 10 0 CEAERO CCC[C@@]1(C(=O)NC[C@@](C)(O)CC(C)C)CCC[NH2+]C1 ZINC000090272865 179945646 /nfs/dbraw/zinc/94/56/46/179945646.db2.gz YHGQRNXTWGVTAR-JKSUJKDBSA-N 1 0 284.444 2.070 10 0 CEAERO CCN(CCOc1cccc(Br)c1)C1C[NH2+]C1 ZINC000090291600 179951249 /nfs/dbraw/zinc/95/12/49/179951249.db2.gz ZNRFUUAFBXFUOQ-UHFFFAOYSA-N 1 0 299.212 2.122 10 0 CEAERO c1cc(-c2noc(COC3CC[NH2+]CC3)n2)cs1 ZINC000104385382 185988452 /nfs/dbraw/zinc/98/84/52/185988452.db2.gz QHMTUSUVAKVNIN-UHFFFAOYSA-N 1 0 265.338 2.067 10 0 CEAERO CN(C)CC[NH2+]CCn1ccc2cc(Cl)ccc21 ZINC000104408113 185990714 /nfs/dbraw/zinc/99/07/14/185990714.db2.gz NTSZOIKBINPLKW-UHFFFAOYSA-N 1 0 265.788 2.446 10 0 CEAERO COc1cccc(Cl)c1CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000234889794 539742692 /nfs/dbraw/zinc/74/26/92/539742692.db2.gz OKOUOVOHRWNZKG-CQSZACIVSA-N 1 0 282.771 2.107 10 0 CEAERO Cc1cccnc1Cn1cncc1C[NH2+]CC(C)C ZINC000090242534 179939082 /nfs/dbraw/zinc/93/90/82/179939082.db2.gz MRQZXJZTFTUYJZ-UHFFFAOYSA-N 1 0 258.369 2.380 10 0 CEAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1c1ncccc1Br ZINC000090334031 179964070 /nfs/dbraw/zinc/96/40/70/179964070.db2.gz WLWGHANNWFTAKW-CKYFFXLPSA-N 1 0 296.212 2.278 10 0 CEAERO CC1(C)[C@H]2C[NH2+]C[C@H]2CN1c1ncnc2ccccc21 ZINC000090339088 179966629 /nfs/dbraw/zinc/96/66/29/179966629.db2.gz SHZLMGNSRHVPOF-AAEUAGOBSA-N 1 0 268.364 2.064 10 0 CEAERO C[C@H]([NH3+])CSCCC(=O)Nc1ccccc1F ZINC000090343514 179968832 /nfs/dbraw/zinc/96/88/32/179968832.db2.gz RIJMTZYDQASWAA-VIFPVBQESA-N 1 0 256.346 2.235 10 0 CEAERO CCOc1ccc(OC(=O)CSCC[C@H](C)[NH3+])cc1 ZINC000090345964 179970260 /nfs/dbraw/zinc/97/02/60/179970260.db2.gz ATYJRGVXWVJQGT-NSHDSACASA-N 1 0 283.393 2.461 10 0 CEAERO CC(C)[NH2+][C@@](C)(C[C@@H](C)OCCC(C)(C)C)C(N)=O ZINC000090350174 179971912 /nfs/dbraw/zinc/97/19/12/179971912.db2.gz LQCXRCCAQTZROW-DOMZBBRYSA-N 1 0 272.433 2.460 10 0 CEAERO CC[C@@H]([NH3+])CSCC(=O)Nc1cc(C(C)C)no1 ZINC000090356683 179974738 /nfs/dbraw/zinc/97/47/38/179974738.db2.gz UKSSFLXHQVPCIR-SECBINFHSA-N 1 0 271.386 2.207 10 0 CEAERO CC[C@@H]([NH3+])CSCC(=O)Nc1ccccc1C(C)=O ZINC000090356449 179974824 /nfs/dbraw/zinc/97/48/24/179974824.db2.gz WACGNBBLWWXJKP-LLVKDONJSA-N 1 0 280.393 2.298 10 0 CEAERO CC[C@@H]([NH3+])CSCc1nc2c(C)cccc2c(=O)[nH]1 ZINC000090357095 179975957 /nfs/dbraw/zinc/97/59/57/179975957.db2.gz ZPYWKIXILUICQR-SNVBAGLBSA-N 1 0 277.393 2.202 10 0 CEAERO CCC[NH2+]C[C@@H]1CCCN(Cc2cscn2)C1 ZINC000104420074 185994930 /nfs/dbraw/zinc/99/49/30/185994930.db2.gz KPMQQPVDMBOQDJ-LBPRGKRZSA-N 1 0 253.415 2.355 10 0 CEAERO CCCCOc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2O)cc1 ZINC000623763801 350105580 /nfs/dbraw/zinc/10/55/80/350105580.db2.gz QDUFDRNCEPTYFW-CVEARBPZSA-N 1 0 279.380 2.105 10 0 CEAERO O[C@H]1COCC[C@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000623763770 350105718 /nfs/dbraw/zinc/10/57/18/350105718.db2.gz OOHKWVOKQYYCDH-NEPJUHHUSA-N 1 0 276.163 2.233 10 0 CEAERO CC[NH2+][C@H]1COC[C@@H]1CN(CC)c1ccccc1F ZINC000090494737 179993175 /nfs/dbraw/zinc/99/31/75/179993175.db2.gz YGANQAGCUCOFEO-JSGCOSHPSA-N 1 0 266.360 2.277 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH2+]CC[C@@H](C)[S@](C)=O)CCO2 ZINC000090517934 179996048 /nfs/dbraw/zinc/99/60/48/179996048.db2.gz BOPOQDQKZKKGDR-QRVQBPJGSA-N 1 0 297.420 2.266 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)NC(C)(C)CC(C)(C)C ZINC000090541303 180000330 /nfs/dbraw/zinc/00/03/30/180000330.db2.gz HZPVVOYMJDJCLZ-OLZOCXBDSA-N 1 0 284.444 2.332 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1CN(C)Cc1cccc(OC)c1 ZINC000090566332 180005703 /nfs/dbraw/zinc/00/57/03/180005703.db2.gz TUTOQDSEZLGBFF-DOTOQJQBSA-N 1 0 292.423 2.142 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1CN[C@@H](C)c1nc(C)cs1 ZINC000090567131 180006419 /nfs/dbraw/zinc/00/64/19/180006419.db2.gz IQICKTDUQCJPLA-RWMBFGLXSA-N 1 0 283.441 2.117 10 0 CEAERO C[C@]1(c2nc3c(cccc3F)n2C2CC2)COC[C@@H]1[NH3+] ZINC000090571796 180007234 /nfs/dbraw/zinc/00/72/34/180007234.db2.gz HMWGGKWIJUQIBE-WFASDCNBSA-N 1 0 275.327 2.126 10 0 CEAERO C[C@]1(c2nc3cc(F)ccc3s2)COC[C@@H]1[NH3+] ZINC000090573010 180008024 /nfs/dbraw/zinc/00/80/24/180008024.db2.gz GPONTLLWLCZPRC-JQWIXIFHSA-N 1 0 252.314 2.051 10 0 CEAERO C[C@]1(c2nc(-c3ccc(F)cc3Cl)no2)COC[C@H]1[NH3+] ZINC000090573780 180008046 /nfs/dbraw/zinc/00/80/46/180008046.db2.gz CJZBOBNWVROGDJ-MFKMUULPSA-N 1 0 297.717 2.144 10 0 CEAERO CC(C)c1ccc(NC(=O)[C@@]2(C)COC[C@@H]2[NH3+])cc1 ZINC000090580637 180008839 /nfs/dbraw/zinc/00/88/39/180008839.db2.gz FCUMTLNRVWARAN-ZFWWWQNUSA-N 1 0 262.353 2.112 10 0 CEAERO CC(C)C[C@H](NC(=O)[C@@]1(C)COC[C@@H]1[NH3+])c1ccccc1 ZINC000090587272 180009115 /nfs/dbraw/zinc/00/91/15/180009115.db2.gz HEZUXYNKIJQJOR-ZOBUZTSGSA-N 1 0 290.407 2.254 10 0 CEAERO CC(C)COc1ccccc1NC(=O)[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090590048 180010218 /nfs/dbraw/zinc/01/02/18/180010218.db2.gz OXZNMWMZTRNHLL-HOCLYGCPSA-N 1 0 292.379 2.024 10 0 CEAERO CCN(Cc1cccc(Cl)c1)C(=O)[C@@]1(C)COC[C@H]1[NH3+] ZINC000090592292 180010550 /nfs/dbraw/zinc/01/05/50/180010550.db2.gz QOHARZQLKBDCQS-HIFRSBDPSA-N 1 0 296.798 2.052 10 0 CEAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cn(CCCO)nn1 ZINC000090638243 180017415 /nfs/dbraw/zinc/01/74/15/180017415.db2.gz KORLZPKHQDPFRG-CABCVRRESA-N 1 0 294.443 2.355 10 0 CEAERO C[C@H](OCC(=O)Nc1ccc(C[NH3+])cc1)C(F)(F)F ZINC000090671984 180021081 /nfs/dbraw/zinc/02/10/81/180021081.db2.gz GWJOPYVWNDZUBV-QMMMGPOBSA-N 1 0 276.258 2.051 10 0 CEAERO CC(C)[NH2+][C@](C)(CCCCO[C@@H](C)C(F)(F)F)C(N)=O ZINC000090674193 180021748 /nfs/dbraw/zinc/02/17/48/180021748.db2.gz KHTUGIGHQLGKCT-CMPLNLGQSA-N 1 0 298.349 2.366 10 0 CEAERO COC(=O)c1cc(N[C@H](C)C[NH+]2CCCCC2)ccn1 ZINC000090737680 180034030 /nfs/dbraw/zinc/03/40/30/180034030.db2.gz YMFLJZBYKOXXPD-GFCCVEGCSA-N 1 0 277.368 2.155 10 0 CEAERO CC(=O)NCC1(c2ccccc2Cl)CC[NH2+]CC1 ZINC000090759812 180036857 /nfs/dbraw/zinc/03/68/57/180036857.db2.gz CMTGGQZIMHOVND-UHFFFAOYSA-N 1 0 266.772 2.097 10 0 CEAERO CC(=O)NC1(c2ccccc2Cl)CC[NH2+]CC1 ZINC000090759649 180036913 /nfs/dbraw/zinc/03/69/13/180036913.db2.gz VVOUCWIDQMKTJM-UHFFFAOYSA-N 1 0 252.745 2.055 10 0 CEAERO CCC(CC)[C@H](C)NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000104445584 186004723 /nfs/dbraw/zinc/00/47/23/186004723.db2.gz YHIXDRQYSNEWMY-WFASDCNBSA-N 1 0 262.397 2.497 10 0 CEAERO [NH3+][C@@H](CNc1ncncc1Br)c1ccccc1 ZINC000090781655 180038803 /nfs/dbraw/zinc/03/88/03/180038803.db2.gz QLHPRRDPAZNKBO-NSHDSACASA-N 1 0 293.168 2.351 10 0 CEAERO CC(C)Oc1cc(OC[C@@H]2CCCC[C@@H]2C[NH3+])ncn1 ZINC000090786353 180040680 /nfs/dbraw/zinc/04/06/80/180040680.db2.gz ZJFBHELWKVEJBH-OLZOCXBDSA-N 1 0 279.384 2.408 10 0 CEAERO COc1cc(N[C@@H](C)c2ccc(C[NH3+])cc2)nc(C)n1 ZINC000090786947 180040800 /nfs/dbraw/zinc/04/08/00/180040800.db2.gz VHFCGBPLXAIVCJ-JTQLQIEISA-N 1 0 272.352 2.425 10 0 CEAERO CC(C)Oc1cc(NC[C@H]2CCCC[C@@H]2C[NH3+])ncn1 ZINC000090786673 180040923 /nfs/dbraw/zinc/04/09/23/180040923.db2.gz JLDRPPYDPGNHDD-CHWSQXEVSA-N 1 0 278.400 2.441 10 0 CEAERO COc1ncnc(N[C@]2(C[NH3+])CCC[C@@H](C)C2)c1C ZINC000090789247 180041452 /nfs/dbraw/zinc/04/14/52/180041452.db2.gz VSLLAXFKFXIDKB-QMTHXVAHSA-N 1 0 264.373 2.113 10 0 CEAERO CCOc1ncnc(N(CC)CC[NH2+]C(C)C)c1C ZINC000090789915 180042177 /nfs/dbraw/zinc/04/21/77/180042177.db2.gz MKYBIVJFOCNBQJ-UHFFFAOYSA-N 1 0 266.389 2.008 10 0 CEAERO CCOc1ncnc(NCC[N@H+](C)C2CCCC2)c1C ZINC000090791412 180042539 /nfs/dbraw/zinc/04/25/39/180042539.db2.gz BFNAPFDSLKXYLM-UHFFFAOYSA-N 1 0 278.400 2.470 10 0 CEAERO COc1cc(N[C@H](CC(C)C)C[NH+](C)C)nc(C)n1 ZINC000090792201 180042853 /nfs/dbraw/zinc/04/28/53/180042853.db2.gz KFHVPLSYSGFZQN-GFCCVEGCSA-N 1 0 266.389 2.182 10 0 CEAERO COc1ccccc1[C@H](C)[NH2+]C[C@H](C)[S@](C)=O ZINC000090841233 180043906 /nfs/dbraw/zinc/04/39/06/180043906.db2.gz AGOYSAYJRLLAPX-PSVSLLHZSA-N 1 0 255.383 2.113 10 0 CEAERO C[NH2+][C@H]1C[C@@H](Oc2cc(OC)cc(OC)c2)C1(C)C ZINC000090861680 180047185 /nfs/dbraw/zinc/04/71/85/180047185.db2.gz YEVAVWGJNIJMJZ-UONOGXRCSA-N 1 0 265.353 2.469 10 0 CEAERO CC[NH2+]Cc1cccc(SCc2ncnn2C)c1 ZINC000090871055 180049412 /nfs/dbraw/zinc/04/94/12/180049412.db2.gz HIBQIRHOUVVCMV-UHFFFAOYSA-N 1 0 262.382 2.217 10 0 CEAERO CCC[NH2+]Cc1cccc(SCC(=O)NC)c1 ZINC000090871540 180050165 /nfs/dbraw/zinc/05/01/65/180050165.db2.gz TULKTAHJTQBLFV-UHFFFAOYSA-N 1 0 252.383 2.024 10 0 CEAERO CCNC(=O)[C@H](C)Sc1cccc(C[NH2+]CCOC)c1 ZINC000090873100 180050220 /nfs/dbraw/zinc/05/02/20/180050220.db2.gz ZXEVKDCPELQTSE-LBPRGKRZSA-N 1 0 296.436 2.039 10 0 CEAERO CN(C[C@@H]1Cc2ccccc2O1)c1ccc(C(N)=[NH2+])cc1 ZINC000090875224 180051320 /nfs/dbraw/zinc/05/13/20/180051320.db2.gz VPZMGVWQIOPLOO-HNNXBMFYSA-N 1 0 281.359 2.411 10 0 CEAERO CC[C@]1(C)C[NH2+][C@H](C)CN1C[C@@H]1Cc2ccccc2O1 ZINC000090878282 180051629 /nfs/dbraw/zinc/05/16/29/180051629.db2.gz KHQXLOIARPHHNA-UKPHBRMFSA-N 1 0 274.408 2.453 10 0 CEAERO CC[NH2+]Cc1cn(C[C@H]2Cc3ccccc3O2)nc1C ZINC000090877753 180052296 /nfs/dbraw/zinc/05/22/96/180052296.db2.gz WRWAZNVWMZFDQC-OAHLLOKOSA-N 1 0 271.364 2.305 10 0 CEAERO CC(C)[C@H](CN(C)C)[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892412 180054030 /nfs/dbraw/zinc/05/40/30/180054030.db2.gz HFDAPWSPECPTIC-GJZGRUSLSA-N 1 0 280.387 2.305 10 0 CEAERO OCC1([NH2+]C[C@H]2Cc3cc(F)ccc3O2)CCCC1 ZINC000090892691 180054677 /nfs/dbraw/zinc/05/46/77/180054677.db2.gz JSGULRUXVJVUPR-CYBMUJFWSA-N 1 0 265.328 2.024 10 0 CEAERO CC(C)C[NH2+]CCN(C)C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893535 180054726 /nfs/dbraw/zinc/05/47/26/180054726.db2.gz ZBTMBDJJNVGRDQ-HNNXBMFYSA-N 1 0 280.387 2.307 10 0 CEAERO Fc1ccc2c(c1)C[C@@H](CSCC1C[NH2+]C1)O2 ZINC000090893468 180055097 /nfs/dbraw/zinc/05/50/97/180055097.db2.gz HFSWXOJYFWKLFC-LBPRGKRZSA-N 1 0 253.342 2.082 10 0 CEAERO Fc1ccc2c(c1)C[C@H](COC[C@H]1CCCC[NH2+]1)O2 ZINC000090893683 180055211 /nfs/dbraw/zinc/05/52/11/180055211.db2.gz UAUFCSSPPIBGQH-ZIAGYGMSSA-N 1 0 265.328 2.288 10 0 CEAERO [NH3+]C1(COC[C@@H]2Cc3cc(F)ccc3O2)CCCC1 ZINC000090893718 180055696 /nfs/dbraw/zinc/05/56/96/180055696.db2.gz ZGPLSFJFKHOVIY-ZDUSSCGKSA-N 1 0 265.328 2.417 10 0 CEAERO OCCC[C@H]1CCC[N@@H+]1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090894786 180055850 /nfs/dbraw/zinc/05/58/50/180055850.db2.gz CFNSZRVBDPEULD-CABCVRRESA-N 1 0 279.355 2.366 10 0 CEAERO CC[C@](C)([NH3+])COC[C@H]1Cc2cc(F)ccc2O1 ZINC000090893725 180055928 /nfs/dbraw/zinc/05/59/28/180055928.db2.gz FJBFCQAPVMWZJK-OCCSQVGLSA-N 1 0 253.317 2.273 10 0 CEAERO CC1(C)CN(C[C@@H]2Cc3cc(F)ccc3O2)CCC[NH2+]1 ZINC000090896187 180056702 /nfs/dbraw/zinc/05/67/02/180056702.db2.gz GHQXNRKCXHZDSH-AWEZNQCLSA-N 1 0 278.371 2.203 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](Cn1ccnc1C[C@@H](C)[NH3+])O2 ZINC000090901594 180058746 /nfs/dbraw/zinc/05/87/46/180058746.db2.gz PIGCAOASTNFGED-OCCSQVGLSA-N 1 0 271.364 2.085 10 0 CEAERO CCN(C[C@@H]1Cc2cc(C)ccc2O1)[C@@H]1CCC[NH2+]C1 ZINC000090900163 180059115 /nfs/dbraw/zinc/05/91/15/180059115.db2.gz LDBAFBCYPBNNSO-CVEARBPZSA-N 1 0 274.408 2.372 10 0 CEAERO [NH3+]C[C@@H](c1ccccc1Cl)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905578 180060334 /nfs/dbraw/zinc/06/03/34/180060334.db2.gz DCLDQGSYQMLYSC-WDMOLILDSA-N 1 0 266.772 2.203 10 0 CEAERO Clc1ccc2c(c1)C[C@@H](C[NH2+]C[C@H]1CCOC1)O2 ZINC000090903842 180060398 /nfs/dbraw/zinc/06/03/98/180060398.db2.gz DYCLPYAFIWZSTN-MFKMUULPSA-N 1 0 267.756 2.270 10 0 CEAERO Cc1cc(C)c([C@@H](C[NH3+])N2C[C@H]3CC[C@@H](C2)O3)c(C)c1 ZINC000090905928 180060791 /nfs/dbraw/zinc/06/07/91/180060791.db2.gz QXPPXFDEMUOJQA-OWCLPIDISA-N 1 0 274.408 2.475 10 0 CEAERO CC[NH2+]Cc1cc(CN2C[C@H]3CC[C@@H](C2)O3)c(C)o1 ZINC000090907808 180062018 /nfs/dbraw/zinc/06/20/18/180062018.db2.gz FVHHFZBYCRPTOA-OKILXGFUSA-N 1 0 264.369 2.061 10 0 CEAERO CC[NH2+][C@H](CCN1C[C@H]2CC[C@@H](C1)O2)C(C)(C)C ZINC000090907514 180062055 /nfs/dbraw/zinc/06/20/55/180062055.db2.gz XSNVLKZUEXCVRZ-HZSPNIEDSA-N 1 0 254.418 2.264 10 0 CEAERO CC[NH2+][C@H](C)c1cnc(N2C[C@H]3CC[C@@H](C2)O3)s1 ZINC000090908144 180062066 /nfs/dbraw/zinc/06/20/66/180062066.db2.gz UNAMBXSRYKVIEP-MXWKQRLJSA-N 1 0 267.398 2.181 10 0 CEAERO C[NH2+]C[C@@](C)(CN1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000090907502 180062335 /nfs/dbraw/zinc/06/23/35/180062335.db2.gz YXZFTQIVUNVWLS-BBWFWOEESA-N 1 0 274.408 2.027 10 0 CEAERO COC[C@H](O)CC[NH2+][C@H](Cc1ccccc1OC)C(C)C ZINC000090949534 180071261 /nfs/dbraw/zinc/07/12/61/180071261.db2.gz RKAHIPNGAREOOY-HZPDHXFCSA-N 1 0 295.423 2.249 10 0 CEAERO [NH3+]CCc1nc(C(=O)Nc2ccc3[nH]ccc3c2)cs1 ZINC000090951965 180072763 /nfs/dbraw/zinc/07/27/63/180072763.db2.gz GXCQIVNMMLTPFE-UHFFFAOYSA-N 1 0 286.360 2.378 10 0 CEAERO COC[C@H](O)CC[NH2+][C@@H](C)c1occc1Br ZINC000090953546 180073917 /nfs/dbraw/zinc/07/39/17/180073917.db2.gz RVBISYMKZHKQCX-DTWKUNHWSA-N 1 0 292.173 2.090 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000090960516 180075399 /nfs/dbraw/zinc/07/53/99/180075399.db2.gz UPZPRFSHBZWMEW-LLVKDONJSA-N 1 0 279.409 2.033 10 0 CEAERO Nc1ccsc1C[NH2+][C@@H]1CCC[C@H]1n1ccnc1 ZINC000090959942 180075442 /nfs/dbraw/zinc/07/54/42/180075442.db2.gz CCPXZYYZRGBFKY-VXGBXAGGSA-N 1 0 262.382 2.410 10 0 CEAERO CC(C)(C)C(=O)N1CCC([NH2+]Cc2ccccc2N)CC1 ZINC000090962054 180076514 /nfs/dbraw/zinc/07/65/14/180076514.db2.gz VISFUDGWXPTBOF-UHFFFAOYSA-N 1 0 289.423 2.396 10 0 CEAERO NC(=S)C1CC[NH+](C[C@@H]2Cc3ccccc32)CC1 ZINC000090977093 180078777 /nfs/dbraw/zinc/07/87/77/180078777.db2.gz ICUJOOGISYNBEC-ZDUSSCGKSA-N 1 0 260.406 2.324 10 0 CEAERO CC[NH2+][C@H](C[C@@H]1Cc2ccccc21)[C@@H]1COCCO1 ZINC000090980723 180078958 /nfs/dbraw/zinc/07/89/58/180078958.db2.gz ODONFOBDTVTJJV-IMJJTQAJSA-N 1 0 261.365 2.110 10 0 CEAERO [NH3+][C@@H](c1ccc2[nH]c(=O)oc2c1)[C@@H]1Cc2ccccc21 ZINC000090983889 180080414 /nfs/dbraw/zinc/08/04/14/180080414.db2.gz VXUJDTPJTQSXSD-DOMZBBRYSA-N 1 0 266.300 2.461 10 0 CEAERO C[NH2+]CCCc1nnc([C@@H]2Cc3ccccc32)s1 ZINC000090991941 180081153 /nfs/dbraw/zinc/08/11/53/180081153.db2.gz CPJMLKUKYAQPGO-GFCCVEGCSA-N 1 0 259.378 2.378 10 0 CEAERO C[C@@H]([NH2+]C[C@@H]1Cc2ccccc21)C(=O)N1CCCCC1 ZINC000090992204 180081414 /nfs/dbraw/zinc/08/14/14/180081414.db2.gz AFEHHQCCUZWPHD-HIFRSBDPSA-N 1 0 272.392 2.317 10 0 CEAERO CCc1nn(C)c(Cn2ccc(C[NH3+])c2)c1Br ZINC000090995202 180082670 /nfs/dbraw/zinc/08/26/70/180082670.db2.gz NKIUULXESGCUSU-UHFFFAOYSA-N 1 0 297.200 2.054 10 0 CEAERO CC[NH2+]Cc1cn(Cc2ncon2)c2ccccc12 ZINC000090995427 180082882 /nfs/dbraw/zinc/08/28/82/180082882.db2.gz CGTFNROFQAJTMS-UHFFFAOYSA-N 1 0 256.309 2.182 10 0 CEAERO CCC[NH2+]Cc1cccn1CC(=O)NCCC(C)C ZINC000090996149 180083150 /nfs/dbraw/zinc/08/31/50/180083150.db2.gz JHKPHQXJGLJCSO-UHFFFAOYSA-N 1 0 265.401 2.150 10 0 CEAERO COCCOCCn1cccc1C[NH2+]C(C)(C)C ZINC000091001721 180083183 /nfs/dbraw/zinc/08/31/83/180083183.db2.gz JGGRWKGPRWQQEJ-UHFFFAOYSA-N 1 0 254.374 2.039 10 0 CEAERO Cc1cc(Cn2cccc2C[NH2+]C(C)(C)C)n(C)n1 ZINC000091001726 180083294 /nfs/dbraw/zinc/08/32/94/180083294.db2.gz JOKCICFFABVIDN-UHFFFAOYSA-N 1 0 260.385 2.466 10 0 CEAERO CC[NH2+]Cc1cccn1CC(=O)Nc1ccccc1 ZINC000090996022 180083332 /nfs/dbraw/zinc/08/33/32/180083332.db2.gz XNETVUALPMJGFU-UHFFFAOYSA-N 1 0 257.337 2.236 10 0 CEAERO CCn1nc(C)cc1Cn1ccnc1C[NH2+]CC(C)C ZINC000091002890 180084090 /nfs/dbraw/zinc/08/40/90/180084090.db2.gz JVMDIUMTAIUONM-UHFFFAOYSA-N 1 0 275.400 2.202 10 0 CEAERO CCn1ccc(C[NH2+][C@@H](CC(C)C)C(=O)N(C)C)c1 ZINC000091010316 180086287 /nfs/dbraw/zinc/08/62/87/180086287.db2.gz FHCXJXIXIKFHTE-AWEZNQCLSA-N 1 0 265.401 2.101 10 0 CEAERO CC(C)[NH2+]Cc1cn(Cc2cnn(C)c2)c2ncccc12 ZINC000091020715 180087680 /nfs/dbraw/zinc/08/76/80/180087680.db2.gz PKCAZGFMJUKMHL-UHFFFAOYSA-N 1 0 283.379 2.316 10 0 CEAERO C[C@@H]([NH3+])Cc1cn(C[C@@H]2CCCO2)c2ncccc12 ZINC000091021742 180088954 /nfs/dbraw/zinc/08/89/54/180088954.db2.gz DCIFXAWXFXEFAB-YPMHNXCESA-N 1 0 259.353 2.105 10 0 CEAERO C[C@H]([NH3+])c1nc(-c2nc(-c3ccncc3)no2)cs1 ZINC000090938545 180067927 /nfs/dbraw/zinc/06/79/27/180067927.db2.gz PJKVMOPYMZNMTC-ZETCQYMHSA-N 1 0 273.321 2.275 10 0 CEAERO CCn1cccc1C[NH2+]C[C@H]1CCCC[C@@H]1CO ZINC000091128005 180099790 /nfs/dbraw/zinc/09/97/90/180099790.db2.gz NXXMZQZDTRPESA-ZIAGYGMSSA-N 1 0 250.386 2.396 10 0 CEAERO c1ccc2c(c1)C[C@H]2c1noc(C[C@H]2CSCC[NH2+]2)n1 ZINC000091129162 180101116 /nfs/dbraw/zinc/10/11/16/180101116.db2.gz LKGQHZNBSKPSMO-WCQYABFASA-N 1 0 287.388 2.005 10 0 CEAERO CC(C)(C)OC(=O)N1CCC2(CC1)SCC[C@@H]2C[NH3+] ZINC000091303303 180129608 /nfs/dbraw/zinc/12/96/08/180129608.db2.gz VEQAXGUZXWDGEO-LLVKDONJSA-N 1 0 286.441 2.468 10 0 CEAERO CC(C)NC(=O)C[C@H](C[NH3+])N1CCC2(CCCCC2)CC1 ZINC000091318672 180133975 /nfs/dbraw/zinc/13/39/75/180133975.db2.gz RRRODFIZEINDME-OAHLLOKOSA-N 1 0 295.471 2.275 10 0 CEAERO C[N@H+]([C@H](CN)CC(=O)N1CCCCC1)C1CCCCCC1 ZINC000091325207 180135091 /nfs/dbraw/zinc/13/50/91/180135091.db2.gz CMLZNOXVVAVLLT-INIZCTEOSA-N 1 0 295.471 2.371 10 0 CEAERO CCOCCC[C@](C[NH3+])(c1ccccc1)[C@@H](C)O ZINC000091327733 180135813 /nfs/dbraw/zinc/13/58/13/180135813.db2.gz SLRNHVDWESANFF-UKRRQHHQSA-N 1 0 251.370 2.081 10 0 CEAERO COc1ccc(-n2ncc(C[NH3+])c2C(F)(F)F)cc1 ZINC000091338755 180136415 /nfs/dbraw/zinc/13/64/15/180136415.db2.gz MOWYMNJRMXLNPL-UHFFFAOYSA-N 1 0 271.242 2.358 10 0 CEAERO COCC[NH2+]Cc1cnn(-c2cc(F)c(F)cc2F)c1C ZINC000091339720 180136497 /nfs/dbraw/zinc/13/64/97/180136497.db2.gz FQXNXFCJSOQZEO-UHFFFAOYSA-N 1 0 299.296 2.334 10 0 CEAERO COCC[NH2+]Cc1cnn(-c2cc(C)ccn2)c1C(C)C ZINC000091338366 180136678 /nfs/dbraw/zinc/13/66/78/180136678.db2.gz USAMNHNKJIVPTD-UHFFFAOYSA-N 1 0 288.395 2.435 10 0 CEAERO Cc1cc2nnc([C@@H]3CC[C@@H]4CCCC[C@@H]4[NH2+]3)n2cn1 ZINC000091355291 180138918 /nfs/dbraw/zinc/13/89/18/180138918.db2.gz TUSIWTVMNQOXJM-AVGNSLFASA-N 1 0 271.368 2.416 10 0 CEAERO COc1cccc([C@@H]([NH3+])CSC[C@@H](C)CO)c1 ZINC000091260669 180115798 /nfs/dbraw/zinc/11/57/98/180115798.db2.gz ZLUNXRTXWRPZPN-GWCFXTLKSA-N 1 0 255.383 2.057 10 0 CEAERO Cc1nn(C)c(SC[C@H](C)CO)c1C[NH2+]C(C)(C)C ZINC000091259947 180116113 /nfs/dbraw/zinc/11/61/13/180116113.db2.gz GHWVTWMRJKMXAI-SNVBAGLBSA-N 1 0 285.457 2.337 10 0 CEAERO CC[NH2+][C@H]1C(=O)Nc2cc(S[C@H](C)CCO)ccc21 ZINC000091264464 180116468 /nfs/dbraw/zinc/11/64/68/180116468.db2.gz CJGKQXVGPQCWMV-NOZJJQNGSA-N 1 0 280.393 2.152 10 0 CEAERO Cc1nn(C)c(S[C@H](C)CCO)c1C[NH2+]C(C)C ZINC000091268358 180117196 /nfs/dbraw/zinc/11/71/96/180117196.db2.gz BODBMKFOUQGQSM-SNVBAGLBSA-N 1 0 271.430 2.090 10 0 CEAERO C[C@@H](CCO)SC[C@@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000091268861 180117261 /nfs/dbraw/zinc/11/72/61/180117261.db2.gz JOUBFLKCTPJGGX-WCQYABFASA-N 1 0 297.420 2.352 10 0 CEAERO CC(C)CN1C(=O)CCC[C@@H]([NH3+])[C@@H]1c1cncn1C1CC1 ZINC000091275609 180119018 /nfs/dbraw/zinc/11/90/18/180119018.db2.gz XVUKBLCNQYDELI-CZUORRHYSA-N 1 0 290.411 2.255 10 0 CEAERO CC1(C)CCN([C@H](C[NH3+])c2cncn2C2CC2)CC1 ZINC000091276522 180119994 /nfs/dbraw/zinc/11/99/94/180119994.db2.gz DVHXWLCBHWSQOC-CYBMUJFWSA-N 1 0 262.401 2.340 10 0 CEAERO O[C@H](c1cncn1C1CC1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000091277385 180120055 /nfs/dbraw/zinc/12/00/55/180120055.db2.gz QCUBQQYUUYPSST-HZPDHXFCSA-N 1 0 269.348 2.138 10 0 CEAERO O[C@H](c1cncn1C1CC1)[C@@H]1[NH2+]Cc2ccccc21 ZINC000091277439 180120402 /nfs/dbraw/zinc/12/04/02/180120402.db2.gz OYVGVQQWKVKDTA-HUUCEWRRSA-N 1 0 255.321 2.096 10 0 CEAERO CCCC1CCN(C(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000091290911 180122919 /nfs/dbraw/zinc/12/29/19/180122919.db2.gz GDMZELYPAMIUTA-CYBMUJFWSA-N 1 0 270.442 2.120 10 0 CEAERO C[C@H](NC(=O)C[C@@H]1CSCC[NH2+]1)c1ccsc1 ZINC000091291154 180123265 /nfs/dbraw/zinc/12/32/65/180123265.db2.gz RPWCYJIXAKRKAF-GXSJLCMTSA-N 1 0 270.423 2.020 10 0 CEAERO CC(C)n1c(C[C@@H]2C[NH2+]CCO2)nc2ccc(F)cc21 ZINC000091293353 180124123 /nfs/dbraw/zinc/12/41/23/180124123.db2.gz LZKMLLIQBBKTHF-GFCCVEGCSA-N 1 0 277.343 2.287 10 0 CEAERO c1c2ccccc2oc1-c1noc(C[C@H]2C[NH2+]CCO2)n1 ZINC000091295114 180124682 /nfs/dbraw/zinc/12/46/82/180124682.db2.gz KCBGVSOBBBPLBB-NSHDSACASA-N 1 0 285.303 2.014 10 0 CEAERO Cc1ccccc1NCCN1CCC[C@H]([NH+](C)C)C1 ZINC000091428519 180153118 /nfs/dbraw/zinc/15/31/18/180153118.db2.gz SSKAMUDGBQVYKO-HNNXBMFYSA-N 1 0 261.413 2.433 10 0 CEAERO CC(C)Cn1c2ccc(C[NH3+])cc2nc1C1CC(O)C1 ZINC000091430508 180153158 /nfs/dbraw/zinc/15/31/58/180153158.db2.gz XULBDKJKNJCGFQ-UHFFFAOYSA-N 1 0 273.380 2.389 10 0 CEAERO CC[C@@H]1CCC(=O)[C@H](C[N@@H+]2CCC[C@H](N(C)C)C2)C1 ZINC000091428354 180153228 /nfs/dbraw/zinc/15/32/28/180153228.db2.gz PEKPCDUFLLTHJU-ILXRZTDVSA-N 1 0 266.429 2.408 10 0 CEAERO CC[C@@H]([NH2+]C1CC(O)C1)c1ccc(OC)c(OC)c1 ZINC000091431103 180153746 /nfs/dbraw/zinc/15/37/46/180153746.db2.gz ZTSGLWWAHWKBAM-WXRRBKDZSA-N 1 0 265.353 2.268 10 0 CEAERO C[NH2+]Cc1cncc(Oc2ccc3c(c2)CCC3)n1 ZINC000091434811 180154271 /nfs/dbraw/zinc/15/42/71/180154271.db2.gz HVQGNYPXKMIXET-UHFFFAOYSA-N 1 0 255.321 2.477 10 0 CEAERO CC[NH2+]Cc1cncc(Oc2cccc(OC)c2)n1 ZINC000091434304 180154512 /nfs/dbraw/zinc/15/45/12/180154512.db2.gz WXKDPOWCEBGCPW-UHFFFAOYSA-N 1 0 259.309 2.387 10 0 CEAERO C[C@@H](Oc1cncc(C[NH2+]C2CC2)n1)C(F)(F)F ZINC000091435602 180154606 /nfs/dbraw/zinc/15/46/06/180154606.db2.gz GNKBLMXMXICPGU-SSDOTTSWSA-N 1 0 261.247 2.058 10 0 CEAERO COC[C@@H](C)[NH2+]Cc1cnc(C)n1-c1ccccc1 ZINC000091437404 180154983 /nfs/dbraw/zinc/15/49/83/180154983.db2.gz PJUXWPHHPNKUFA-GFCCVEGCSA-N 1 0 259.353 2.305 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccsc1)N(C)CC1CC(O)C1 ZINC000091451822 180158574 /nfs/dbraw/zinc/15/85/74/180158574.db2.gz AEUKYDNXSOOFCG-CCAROEGRSA-N 1 0 268.426 2.229 10 0 CEAERO CCC[NH2+]CC[C@](C)(O)Cc1ccccc1OC ZINC000091466501 180163639 /nfs/dbraw/zinc/16/36/39/180163639.db2.gz MJGPOLCWFWKVNU-HNNXBMFYSA-N 1 0 251.370 2.378 10 0 CEAERO CC(C)(C)[NH2+]C[C@@H](O)Cc1ccn(C2CCCC2)n1 ZINC000091467358 180164176 /nfs/dbraw/zinc/16/41/76/180164176.db2.gz YHONDLQIMGTLIO-AWEZNQCLSA-N 1 0 265.401 2.290 10 0 CEAERO CCC[NH2+]C[C@@H](O)Cc1cc(Cl)ccc1OC ZINC000091467305 180164459 /nfs/dbraw/zinc/16/44/59/180164459.db2.gz ZJSMGFGSRCFVSV-LBPRGKRZSA-N 1 0 257.761 2.252 10 0 CEAERO CC[C@@H](C)n1ccc(C[C@H](O)C[NH2+]C(C)(C)C)n1 ZINC000091469814 180164829 /nfs/dbraw/zinc/16/48/29/180164829.db2.gz LGXBKAOFZQUCOL-YPMHNXCESA-N 1 0 253.390 2.146 10 0 CEAERO CN(CC1CC([NH3+])C1)C(=O)c1ccc2ccccc2n1 ZINC000091475739 180165953 /nfs/dbraw/zinc/16/59/53/180165953.db2.gz UBVONCXNOVIIDK-UHFFFAOYSA-N 1 0 269.348 2.044 10 0 CEAERO CC1(C)C(C(=O)NCc2cccc(C[NH3+])c2)C1(C)C ZINC000091481437 180166676 /nfs/dbraw/zinc/16/66/76/180166676.db2.gz FIJYNHJSYWYYRM-UHFFFAOYSA-N 1 0 260.381 2.444 10 0 CEAERO C[N@H+](CCCOc1ccc(F)cc1)CC1CC(O)C1 ZINC000091489123 180168484 /nfs/dbraw/zinc/16/84/84/180168484.db2.gz OSPKVCQDKHUNSA-UHFFFAOYSA-N 1 0 267.344 2.297 10 0 CEAERO C[N@H+](CC1CC(O)C1)C[C@@H]1CC(C)(C)CCC1=O ZINC000091490321 180169877 /nfs/dbraw/zinc/16/98/77/180169877.db2.gz OPOOVGQMLGBCEN-CPCZMJQVSA-N 1 0 253.386 2.085 10 0 CEAERO CC1(C)C(C(=O)NC[C@@H]2CCC[C@H]2C[NH3+])C1(C)C ZINC000091494731 180171608 /nfs/dbraw/zinc/17/16/08/180171608.db2.gz DQRHHZDVSVFDTL-QWRGUYRKSA-N 1 0 252.402 2.160 10 0 CEAERO C[N@H+](CC[C@@H](N)c1ccccc1Cl)CC1CC(O)C1 ZINC000091499045 180173810 /nfs/dbraw/zinc/17/38/10/180173810.db2.gz AZHCELIFEJZIJP-KOHJWAIASA-N 1 0 282.815 2.433 10 0 CEAERO Cc1cccnc1C[C@H]([NH3+])c1cccc2c1OCCO2 ZINC000091383920 180143596 /nfs/dbraw/zinc/14/35/96/180143596.db2.gz MJSDMZWBAYKUPL-ZDUSSCGKSA-N 1 0 270.332 2.404 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(CC(=O)c2ccc(F)c(F)c2)C1 ZINC000091392379 180144910 /nfs/dbraw/zinc/14/49/10/180144910.db2.gz BRTPUQJPTRYRMY-GFCCVEGCSA-N 1 0 282.334 2.174 10 0 CEAERO CC(C)[NH2+]Cc1cncc(N(C)[C@H](C)C(C)C)n1 ZINC000091419379 180150943 /nfs/dbraw/zinc/15/09/43/180150943.db2.gz QOLYQFMEUCNUTH-GFCCVEGCSA-N 1 0 250.390 2.455 10 0 CEAERO CC(C)(C)[NH2+]Cc1cncc(N2CCCSCC2)n1 ZINC000091420982 180150966 /nfs/dbraw/zinc/15/09/66/180150966.db2.gz IZMRVGHMGUFTFC-UHFFFAOYSA-N 1 0 280.441 2.308 10 0 CEAERO CC[NH2+][C@H](c1ccnn1C)C(C)(C)N1CCCCC1 ZINC000091565187 180193190 /nfs/dbraw/zinc/19/31/90/180193190.db2.gz IPJAITUCHSNHKH-CQSZACIVSA-N 1 0 264.417 2.335 10 0 CEAERO CCc1ccc(C[C@@H](O)C(C)(C)[NH+]2CCOCC2)cc1 ZINC000091565690 180193204 /nfs/dbraw/zinc/19/32/04/180193204.db2.gz LPPRUGQIEUDSOQ-MRXNPFEDSA-N 1 0 277.408 2.263 10 0 CEAERO CCc1ccc(C[C@H](O)C(C)(C)[NH+]2CCOCC2)cc1 ZINC000091565689 180193528 /nfs/dbraw/zinc/19/35/28/180193528.db2.gz LPPRUGQIEUDSOQ-INIZCTEOSA-N 1 0 277.408 2.263 10 0 CEAERO CC(C)([C@@H]([NH3+])CCc1ccsc1)N1CCOCC1 ZINC000091566276 180193954 /nfs/dbraw/zinc/19/39/54/180193954.db2.gz ZPZJDHUDIAYRML-ZDUSSCGKSA-N 1 0 268.426 2.119 10 0 CEAERO C[NH2+][C@H](c1ccc(F)cc1F)C(C)(C)N1CCOCC1 ZINC000091566459 180193987 /nfs/dbraw/zinc/19/39/87/180193987.db2.gz NQOKWWKVWURNEW-CQSZACIVSA-N 1 0 284.350 2.336 10 0 CEAERO CCC[NH2+][C@@H](c1ccoc1)C(C)(C)N1CCOCC1 ZINC000091567188 180194816 /nfs/dbraw/zinc/19/48/16/180194816.db2.gz DPPJAJSXIZRRLH-AWEZNQCLSA-N 1 0 266.385 2.431 10 0 CEAERO CC(C)(C(=O)Cc1cccnc1N)[NH+]1CCCCCC1 ZINC000091567369 180194915 /nfs/dbraw/zinc/19/49/15/180194915.db2.gz UPVWTBOVBYMCDI-UHFFFAOYSA-N 1 0 275.396 2.430 10 0 CEAERO CCC[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1=O)c1cccs1 ZINC000105101725 186041681 /nfs/dbraw/zinc/04/16/81/186041681.db2.gz BOPPVENCMAVKGK-VXGBXAGGSA-N 1 0 292.404 2.469 10 0 CEAERO CC[C@](C)([C@H](N)c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000091569821 180195772 /nfs/dbraw/zinc/19/57/72/180195772.db2.gz QYMAEFJMMGISCX-HUUCEWRRSA-N 1 0 266.385 2.434 10 0 CEAERO CCC[NH2+][C@@H](Cc1cc(C)nn1C)[C@](C)(CC)N(C)C ZINC000091572050 180196286 /nfs/dbraw/zinc/19/62/86/180196286.db2.gz FTWQNKQJQSYQHM-HOTGVXAUSA-N 1 0 280.460 2.370 10 0 CEAERO CCCc1nn(C)c(NCC[NH+]2CCCCCC2)c1N ZINC000091579076 180198427 /nfs/dbraw/zinc/19/84/27/180198427.db2.gz BRTATCLWGHEHOL-UHFFFAOYSA-N 1 0 279.432 2.243 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@@H](NC)c1cncnc1 ZINC000091599149 180202057 /nfs/dbraw/zinc/20/20/57/180202057.db2.gz KRKQXAZPEZYBNI-UONOGXRCSA-N 1 0 250.390 2.248 10 0 CEAERO CCN(CC)[C@](C)(CC)[C@@H](Cc1cnn(C)c1)[NH2+]C ZINC000091599266 180202416 /nfs/dbraw/zinc/20/24/16/180202416.db2.gz XOXSBMUTCIEJAM-HUUCEWRRSA-N 1 0 266.433 2.061 10 0 CEAERO CCN(CC)[C@](C)(CC)[C@@H](Cc1ccnc(N)c1)[NH2+]C ZINC000091599126 180202516 /nfs/dbraw/zinc/20/25/16/180202516.db2.gz ATAHKMMZECLDBV-GDBMZVCRSA-N 1 0 278.444 2.305 10 0 CEAERO CC[C@@](C)([C@H](NC)c1cccnc1N)[NH+]1CCCC1 ZINC000091607004 180204198 /nfs/dbraw/zinc/20/41/98/180204198.db2.gz XWFMDDJOLBNEIC-HIFRSBDPSA-N 1 0 262.401 2.189 10 0 CEAERO CC[NH2+][C@H](c1cnn(C)c1)[C@@](C)(CC)N1CCCC1 ZINC000091607386 180204738 /nfs/dbraw/zinc/20/47/38/180204738.db2.gz XMAHFVDEUUSWOS-HUUCEWRRSA-N 1 0 264.417 2.335 10 0 CEAERO CC[C@@](C)([C@H](N)Cc1cc(C)nn1C)[NH+]1CCCCC1 ZINC000091609297 180205331 /nfs/dbraw/zinc/20/53/31/180205331.db2.gz OIEWWWQZPLNBCI-CVEARBPZSA-N 1 0 278.444 2.253 10 0 CEAERO CC[C@](C)([C@@H]([NH2+]C)[C@@H]1CCOC1)N1CCCCC1 ZINC000091609636 180205732 /nfs/dbraw/zinc/20/57/32/180205732.db2.gz CEJPCAUSQFWKRI-QLFBSQMISA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@](C)([C@H](O)c1ccc(F)cc1)[NH+]1CCOCC1 ZINC000091611258 180206778 /nfs/dbraw/zinc/20/67/78/180206778.db2.gz GAHIACRWXUVCSV-HUUCEWRRSA-N 1 0 267.344 2.360 10 0 CEAERO CC[C@](C)([C@@H]([NH2+]C)c1ccccc1)N1CCOCC1 ZINC000091612444 180207253 /nfs/dbraw/zinc/20/72/53/180207253.db2.gz ODNQHWFSGXBUSJ-JKSUJKDBSA-N 1 0 262.397 2.448 10 0 CEAERO CC[NH2+][C@H](c1ccoc1)[C@@](C)(CC)N1CCOCC1 ZINC000091612982 180207396 /nfs/dbraw/zinc/20/73/96/180207396.db2.gz NMIIJGGWIZPIEL-HUUCEWRRSA-N 1 0 266.385 2.431 10 0 CEAERO CCC[NH2+][C@H](c1cnccn1)[C@@](C)(CC)N1CCOCC1 ZINC000091613098 180207865 /nfs/dbraw/zinc/20/78/65/180207865.db2.gz IEUSQAMPKPUTIC-HZPDHXFCSA-N 1 0 292.427 2.018 10 0 CEAERO COCC[NH2+]CC[C@](C)(O)Cc1c(F)cccc1Cl ZINC000091519870 180178244 /nfs/dbraw/zinc/17/82/44/180178244.db2.gz FJNYQHFECIUGRJ-AWEZNQCLSA-N 1 0 289.778 2.399 10 0 CEAERO COCC[NH2+]CC[C@](C)(O)Cc1ccnc2ccccc12 ZINC000091519856 180178334 /nfs/dbraw/zinc/17/83/34/180178334.db2.gz SSKXEEBXVIHUQQ-KRWDZBQOSA-N 1 0 288.391 2.154 10 0 CEAERO COc1ccc([C@@H](C)[NH2+]CC2CC(O)C2)c(OC)c1 ZINC000091524946 180178702 /nfs/dbraw/zinc/17/87/02/180178702.db2.gz JVRGOYTVJMYMMC-VOMCLLRMSA-N 1 0 265.353 2.125 10 0 CEAERO CSc1cc2c(cc1C[NH2+]CC1CC(O)C1)OCCO2 ZINC000091525559 180179028 /nfs/dbraw/zinc/17/90/28/180179028.db2.gz XJJXIGCIEKJLQI-UHFFFAOYSA-N 1 0 295.404 2.040 10 0 CEAERO CCCn1nccc1[C@H](N)C(C)(C)[NH+](CC)CC ZINC000091530382 180180672 /nfs/dbraw/zinc/18/06/72/180180672.db2.gz NKXOUFRRWSEQBM-ZDUSSCGKSA-N 1 0 252.406 2.413 10 0 CEAERO CCN(CC)C(C)(C)[C@@H](Cc1ncnn1C(C)C)[NH2+]C ZINC000091531185 180180817 /nfs/dbraw/zinc/18/08/17/180180817.db2.gz UEVUQJJKXWMTHA-CYBMUJFWSA-N 1 0 281.448 2.110 10 0 CEAERO CC(C)([C@H](O)c1ccc2c(c1)OCCO2)[NH+]1CCCC1 ZINC000091533204 180181424 /nfs/dbraw/zinc/18/14/24/180181424.db2.gz JDPMXLLUQJKDKW-OAHLLOKOSA-N 1 0 277.364 2.366 10 0 CEAERO C[NH2+][C@H](CC[C@H]1CCCO1)C(C)(C)N1CCCC1 ZINC000091534553 180181594 /nfs/dbraw/zinc/18/15/94/180181594.db2.gz BCACUXIIJDDZTR-ZIAGYGMSSA-N 1 0 254.418 2.408 10 0 CEAERO CCCn1ccnc1[C@H](N)C(C)(C)[NH+]1CCCC1 ZINC000091534135 180181684 /nfs/dbraw/zinc/18/16/84/180181684.db2.gz MKEJGTXOMSLGAX-LBPRGKRZSA-N 1 0 250.390 2.167 10 0 CEAERO CCC[NH2+][C@@H](Cc1cnn(C)c1)C(C)(C)N1CCCC1 ZINC000091536187 180181940 /nfs/dbraw/zinc/18/19/40/180181940.db2.gz XDIHXRRPKJYJKG-HNNXBMFYSA-N 1 0 278.444 2.205 10 0 CEAERO CCn1ccnc1[C@H](NC)C(C)(C)[NH+]1CCCC1 ZINC000091534800 180182476 /nfs/dbraw/zinc/18/24/76/180182476.db2.gz IDOZPOAAJKZCFN-LBPRGKRZSA-N 1 0 250.390 2.038 10 0 CEAERO COc1ccc(Cl)c(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC000091539679 180182841 /nfs/dbraw/zinc/18/28/41/180182841.db2.gz ABDHTQNJYBOBRK-DTWKUNHWSA-N 1 0 268.744 2.415 10 0 CEAERO CC1CCC(CCNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000091541734 180183419 /nfs/dbraw/zinc/18/34/19/180183419.db2.gz OZWHAEYDLLUYIP-NWINJMCUSA-N 1 0 252.402 2.446 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](C(=O)Nc2c3nsnc3ccc2Cl)C1 ZINC000091542636 180184319 /nfs/dbraw/zinc/18/43/19/180184319.db2.gz QXYTZPIACCNBMU-RNFRBKRXSA-N 1 0 296.783 2.411 10 0 CEAERO CC[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)c1cccs1 ZINC000091544740 180185553 /nfs/dbraw/zinc/18/55/53/180185553.db2.gz GYQUIJRPLNMIRA-VWYCJHECSA-N 1 0 252.383 2.443 10 0 CEAERO CCCN1C(=O)C[C@@H]([NH2+][C@H]2CCCC[C@@H]2CC)C1=O ZINC000105025694 186038277 /nfs/dbraw/zinc/03/82/77/186038277.db2.gz WDLUHGNYAPYJGY-RWMBFGLXSA-N 1 0 266.385 2.082 10 0 CEAERO [NH3+][C@H]1CC[C@H](C(=O)NCc2ccccc2C(F)(F)F)C1 ZINC000091549121 180188169 /nfs/dbraw/zinc/18/81/69/180188169.db2.gz DHMYUHQZNQHKSN-ONGXEEELSA-N 1 0 286.297 2.449 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC3(CCCC3)CC2)C1 ZINC000091549130 180188204 /nfs/dbraw/zinc/18/82/04/180188204.db2.gz QBIDAKVHWQCRKQ-CHWSQXEVSA-N 1 0 250.386 2.297 10 0 CEAERO CCN(Cc1cccc(C)c1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091548277 180188421 /nfs/dbraw/zinc/18/84/21/180188421.db2.gz IVFVLGDKKCJZDF-LSDHHAIUSA-N 1 0 260.381 2.471 10 0 CEAERO Cc1nc(CC(=O)C2([NH+](C)C)CCCC2)cs1 ZINC000091635935 180210769 /nfs/dbraw/zinc/21/07/69/180210769.db2.gz GPJQFEJHQWLMHU-UHFFFAOYSA-N 1 0 252.383 2.438 10 0 CEAERO CCC(CC)([C@@H](O)Cc1cc(C)nn1C)[NH+]1CCCC1 ZINC000091634505 180211444 /nfs/dbraw/zinc/21/14/44/180211444.db2.gz BHZPCUUIBAFHHR-HNNXBMFYSA-N 1 0 279.428 2.287 10 0 CEAERO CCC(CC)([C@H](N)C1CCOCC1)[NH+]1CCCC1 ZINC000091634706 180211480 /nfs/dbraw/zinc/21/14/80/180211480.db2.gz TZISWCGCMSNVFY-CQSZACIVSA-N 1 0 254.418 2.395 10 0 CEAERO CCCn1ccnc1[C@@H](O)C1([NH+](C)C)CCCC1 ZINC000091636882 180211483 /nfs/dbraw/zinc/21/14/83/180211483.db2.gz DBDLFBFTWUUHSO-GFCCVEGCSA-N 1 0 251.374 2.201 10 0 CEAERO CCc1cc(C[C@H](N)C2([NH+](C)C)CCCC2)n(CC)n1 ZINC000091637340 180212014 /nfs/dbraw/zinc/21/20/14/180212014.db2.gz RYUGTURVJRPVHF-HNNXBMFYSA-N 1 0 278.444 2.210 10 0 CEAERO CC[NH+](CC)C1([C@H](O)c2cnn(C)c2)CCCC1 ZINC000091638972 180212276 /nfs/dbraw/zinc/21/22/76/180212276.db2.gz LIUTZAOBFFJLEL-CYBMUJFWSA-N 1 0 251.374 2.108 10 0 CEAERO CCn1nccc1[C@@H]([NH2+]C)C1(N(C)C)CCCC1 ZINC000091637555 180212509 /nfs/dbraw/zinc/21/25/09/180212509.db2.gz IPRFUTQJROFDLI-CYBMUJFWSA-N 1 0 250.390 2.038 10 0 CEAERO CCc1cc(C[C@H]([NH2+]C)C2(N(C)C)CCCC2)n(CC)n1 ZINC000091637731 180212608 /nfs/dbraw/zinc/21/26/08/180212608.db2.gz FNPBVUMSMSUYDB-INIZCTEOSA-N 1 0 292.471 2.470 10 0 CEAERO CCc1cc(C[C@@H](N)C2([NH+](C)C)CCCC2)n(CC)n1 ZINC000091637341 180212647 /nfs/dbraw/zinc/21/26/47/180212647.db2.gz RYUGTURVJRPVHF-OAHLLOKOSA-N 1 0 278.444 2.210 10 0 CEAERO O[C@H]([C@H]1CCOC1)C1([NH+]2CCCCC2)CCCC1 ZINC000091641539 180212923 /nfs/dbraw/zinc/21/29/23/180212923.db2.gz FGQPYFLDFUHUPC-UONOGXRCSA-N 1 0 253.386 2.183 10 0 CEAERO CCn1cc([C@@H](O)C2([NH+]3CCCC3)CCCC2)cn1 ZINC000091640201 180213213 /nfs/dbraw/zinc/21/32/13/180213213.db2.gz OAIPDXNFFROLKH-CQSZACIVSA-N 1 0 263.385 2.345 10 0 CEAERO CCN[C@H](c1cnn(C)c1)C1([NH+]2CCCC2)CCCC1 ZINC000091641198 180213419 /nfs/dbraw/zinc/21/34/19/180213419.db2.gz WILYBAZELZQLHU-OAHLLOKOSA-N 1 0 276.428 2.479 10 0 CEAERO Cn1nccc1[C@H](O)C1([NH+]2CCCCC2)CCCC1 ZINC000091641776 180213504 /nfs/dbraw/zinc/21/35/04/180213504.db2.gz PSVKOLYEODEHSU-AWEZNQCLSA-N 1 0 263.385 2.252 10 0 CEAERO Nc1ncccc1[C@@H](O)C1([NH+]2CCCCC2)CCCC1 ZINC000091641641 180213510 /nfs/dbraw/zinc/21/35/10/180213510.db2.gz DPYXPWOEADPEBP-CQSZACIVSA-N 1 0 275.396 2.496 10 0 CEAERO Cn1cc(C(=O)C2([NH+]3CCCCC3)CCCC2)cn1 ZINC000091641487 180213533 /nfs/dbraw/zinc/21/35/33/180213533.db2.gz DHNAXOCZVWIYMG-UHFFFAOYSA-N 1 0 261.369 2.402 10 0 CEAERO Cn1cc([C@H](N)C2([NH+]3CCCCC3)CCCC2)cn1 ZINC000091641955 180213581 /nfs/dbraw/zinc/21/35/81/180213581.db2.gz LFROKUBQJCBIJF-AWEZNQCLSA-N 1 0 262.401 2.219 10 0 CEAERO O[C@H](CC1CCC1)C1([NH+]2CCOCC2)CCCC1 ZINC000091642746 180214071 /nfs/dbraw/zinc/21/40/71/180214071.db2.gz SWBQAOXIYCFKFZ-CQSZACIVSA-N 1 0 253.386 2.183 10 0 CEAERO C[NH+](C)C1([C@H](O)CC2CCOCC2)CCCCC1 ZINC000091646815 180215253 /nfs/dbraw/zinc/21/52/53/180215253.db2.gz OCBPOQZTKANWGT-CQSZACIVSA-N 1 0 255.402 2.429 10 0 CEAERO CC(C)n1ncnc1C[C@@H](O)C1([NH+](C)C)CCCCC1 ZINC000091646690 180215460 /nfs/dbraw/zinc/21/54/60/180215460.db2.gz RKWZRCNSJVCSAH-CYBMUJFWSA-N 1 0 280.416 2.027 10 0 CEAERO CCn1cc([C@H](N)C2([NH+](C)C)CCCCC2)cn1 ZINC000091647280 180215700 /nfs/dbraw/zinc/21/57/00/180215700.db2.gz XDTYFVDTEFLIEJ-ZDUSSCGKSA-N 1 0 250.390 2.167 10 0 CEAERO C[NH2+][C@H](c1cnn(C)c1)[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC000091652797 180216848 /nfs/dbraw/zinc/21/68/48/180216848.db2.gz QTMCIKLAEJWVKL-YUELXQCFSA-N 1 0 264.417 2.191 10 0 CEAERO C[NH+](C)C1([C@@H](N)C2CCOCC2)CCCCCC1 ZINC000091654053 180217103 /nfs/dbraw/zinc/21/71/03/180217103.db2.gz JKEUELSEEKJKRQ-AWEZNQCLSA-N 1 0 254.418 2.395 10 0 CEAERO CC[N@@H+]1CC[C@H](CNc2nc(Cl)ncc2C)C1 ZINC000091658302 180218451 /nfs/dbraw/zinc/21/84/51/180218451.db2.gz FVKMBFIRNDMFJY-SNVBAGLBSA-N 1 0 254.765 2.192 10 0 CEAERO CCN(CC)C(=O)[C@H](C)[NH2+][C@H]1CCCc2cccnc21 ZINC000091660948 180219038 /nfs/dbraw/zinc/21/90/38/180219038.db2.gz JBTWUJYTEPBTGT-JSGCOSHPSA-N 1 0 275.396 2.306 10 0 CEAERO Cc1nc(Cl)c(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)nc1C ZINC000091677127 180225432 /nfs/dbraw/zinc/22/54/32/180225432.db2.gz ZSLDFUXCBGABPK-NEPJUHHUSA-N 1 0 296.802 2.022 10 0 CEAERO Cc1ccc(F)c([C@H](O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000091715564 180232938 /nfs/dbraw/zinc/23/29/38/180232938.db2.gz NHFGOVIZFUJXFT-DFBGVHRSSA-N 1 0 265.328 2.031 10 0 CEAERO CCC[NH2+][C@@H](CCc1ccsc1)[C@@H]1CN(C)CCO1 ZINC000091719302 180234259 /nfs/dbraw/zinc/23/42/59/180234259.db2.gz JZZYEWDPZPRFTQ-GJZGRUSLSA-N 1 0 282.453 2.380 10 0 CEAERO CCC[NH2+][C@@H](c1c(F)cccc1F)[C@H]1CN(C)CCO1 ZINC000091719160 180234317 /nfs/dbraw/zinc/23/43/17/180234317.db2.gz DXJINSXNMORVAV-UKRRQHHQSA-N 1 0 284.350 2.336 10 0 CEAERO CCC[NH2+][C@H](Cc1ccc(C)cc1)[C@H]1CN(C)CCO1 ZINC000091719097 180234389 /nfs/dbraw/zinc/23/43/89/180234389.db2.gz BGEZOBVNNNDIGN-IAGOWNOFSA-N 1 0 276.424 2.236 10 0 CEAERO CCC[NH2+][C@H](CCC(F)(F)F)[C@@H]1CN(C)CCO1 ZINC000091719515 180234418 /nfs/dbraw/zinc/23/44/18/180234418.db2.gz HTSKZINJPITKCX-MNOVXSKESA-N 1 0 268.323 2.028 10 0 CEAERO CC[NH2+][C@@H](CCc1ccc(OC)cc1)CN(C)C ZINC000091719738 180234444 /nfs/dbraw/zinc/23/44/44/180234444.db2.gz JBMVOOKUYBVHEI-AWEZNQCLSA-N 1 0 250.386 2.168 10 0 CEAERO C[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1ccccc1OC(F)F ZINC000624235368 350239117 /nfs/dbraw/zinc/23/91/17/350239117.db2.gz JEKUVBWIWVQAFQ-ZMLRMANQSA-N 1 0 287.306 2.088 10 0 CEAERO O[C@H]1COCC[C@H]1[NH2+]C1CCC2(CCCC2)CC1 ZINC000624238495 350241090 /nfs/dbraw/zinc/24/10/90/350241090.db2.gz SGZLKICCSANPPS-KGLIPLIRSA-N 1 0 253.386 2.229 10 0 CEAERO C[NH2+][C@H](c1cccc(Cl)c1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721195 180238472 /nfs/dbraw/zinc/23/84/72/180238472.db2.gz SWSXVHLDMKGAAJ-RBSFLKMASA-N 1 0 280.799 2.464 10 0 CEAERO C[NH2+][C@H](c1ccc(Cl)cc1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721455 180238923 /nfs/dbraw/zinc/23/89/23/180238923.db2.gz GNROODLLUNULMO-RBSFLKMASA-N 1 0 280.799 2.464 10 0 CEAERO CC1(C)OCC[C@@H]1[NH2+]C[C@@H]1CCCO[C@H]1c1cn[nH]c1 ZINC000624242981 350242300 /nfs/dbraw/zinc/24/23/00/350242300.db2.gz ANCHQNGJFFXISW-FPMFFAJLSA-N 1 0 279.384 2.035 10 0 CEAERO COCC[N@H+]([C@H](C)c1ccc(C(=O)OC)o1)C1CC1 ZINC000091781359 180253403 /nfs/dbraw/zinc/25/34/03/180253403.db2.gz HVDOFJDPRNYKSH-SNVBAGLBSA-N 1 0 267.325 2.238 10 0 CEAERO CC[NH2+][C@H](C)c1cccn1CC(=O)NCc1ccccc1 ZINC000091801409 180258932 /nfs/dbraw/zinc/25/89/32/180258932.db2.gz HXKONIWLWYRBDI-CQSZACIVSA-N 1 0 285.391 2.475 10 0 CEAERO CC[NH2+][C@H](CCc1ccccc1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091722011 180240115 /nfs/dbraw/zinc/24/01/15/180240115.db2.gz QKEBSKRPJARDBM-KZNAEPCWSA-N 1 0 288.435 2.461 10 0 CEAERO CCC[NH2+][C@H](CC[C@@H]1CCCO1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091722153 180240242 /nfs/dbraw/zinc/24/02/42/180240242.db2.gz JFBLPOWJMQJKIY-TWMKSMIVSA-N 1 0 296.455 2.177 10 0 CEAERO O[C@@H](CN[C@H]1CCc2ccc(F)cc21)C[NH+]1CCCCC1 ZINC000151302089 539781191 /nfs/dbraw/zinc/78/11/91/539781191.db2.gz VKKODQWSFMSBFS-RDJZCZTQSA-N 1 0 292.398 2.249 10 0 CEAERO Cc1cc2ncc([C@H](C)[NH2+][C@H](C)[C@@H](C)CO)c(C)n2n1 ZINC000091727248 180243317 /nfs/dbraw/zinc/24/33/17/180243317.db2.gz YFDFHLGZMVYRMO-WCQGTBRESA-N 1 0 276.384 2.014 10 0 CEAERO CN1CCO[C@H](C[NH2+]Cc2ccc(Cl)cc2Cl)C1 ZINC000105471998 186059367 /nfs/dbraw/zinc/05/93/67/186059367.db2.gz CDYHPJMKHCDFHT-GFCCVEGCSA-N 1 0 289.206 2.414 10 0 CEAERO CCC[NH2+][C@H](C)[C@H](CC)c1nc(CN(C)C)no1 ZINC000091747622 180245518 /nfs/dbraw/zinc/24/55/18/180245518.db2.gz ZUOGPOYIGQYXQY-MNOVXSKESA-N 1 0 254.378 2.013 10 0 CEAERO CCN(c1ccc(F)cc1C(N)=O)C1CCC([NH3+])CC1 ZINC000091851286 180272731 /nfs/dbraw/zinc/27/27/31/180272731.db2.gz ZBXNDYOLFDDHBI-UHFFFAOYSA-N 1 0 279.359 2.021 10 0 CEAERO CCN(c1cncc(OC(C)C)n1)C1CCC([NH3+])CC1 ZINC000091851175 180273151 /nfs/dbraw/zinc/27/31/51/180273151.db2.gz ICVRDIIKBBKIHN-UHFFFAOYSA-N 1 0 278.400 2.360 10 0 CEAERO C[C@H](C(=O)Nc1ccccc1)[N@H+](C)C1CCC(=O)CC1 ZINC000091854017 180273731 /nfs/dbraw/zinc/27/37/31/180273731.db2.gz DDNQMHHDHQOWQI-GFCCVEGCSA-N 1 0 274.364 2.457 10 0 CEAERO C[C@@H](C(=O)Nc1ccccc1)[N@H+](C)C1CCC(=O)CC1 ZINC000091854016 180273980 /nfs/dbraw/zinc/27/39/80/180273980.db2.gz DDNQMHHDHQOWQI-LBPRGKRZSA-N 1 0 274.364 2.457 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)c2occc2C)CC1 ZINC000091854439 180274861 /nfs/dbraw/zinc/27/48/61/180274861.db2.gz RSUDPOBMGCTFDW-UHFFFAOYSA-N 1 0 250.342 2.191 10 0 CEAERO CCC[NH2+][C@H](C)c1ccn(CC(=O)N[C@H](C)CC)c1 ZINC000091805932 180260458 /nfs/dbraw/zinc/26/04/58/180260458.db2.gz GBQSLCZLVPFBPB-CHWSQXEVSA-N 1 0 265.401 2.463 10 0 CEAERO CCCNC(=O)Cn1ccc([C@H](CCC)[NH2+]C)c1 ZINC000091821633 180264073 /nfs/dbraw/zinc/26/40/73/180264073.db2.gz AZPZTCCRJSJEFB-ZDUSSCGKSA-N 1 0 251.374 2.075 10 0 CEAERO CCS(=O)(=O)CCCn1ccc([C@H]([NH2+]C)C(C)C)c1 ZINC000091827364 180264513 /nfs/dbraw/zinc/26/45/13/180264513.db2.gz MNFGMIVCLYKAHG-CQSZACIVSA-N 1 0 286.441 2.229 10 0 CEAERO CCN(CC)C(=O)Cn1ccc([C@@H]([NH2+]C)C(C)C)c1 ZINC000091826579 180264749 /nfs/dbraw/zinc/26/47/49/180264749.db2.gz QZWCXRPUAUBRLM-HNNXBMFYSA-N 1 0 265.401 2.273 10 0 CEAERO CCC[NH2+][C@@H](c1ccn(CC(=O)OC)c1)C1CC1 ZINC000091838833 180267784 /nfs/dbraw/zinc/26/77/84/180267784.db2.gz UGISNGAABDHDCK-CQSZACIVSA-N 1 0 250.342 2.112 10 0 CEAERO CCCNC(=O)Cn1ccc([C@@H]([NH2+]CC)C2CC2)c1 ZINC000091837627 180268378 /nfs/dbraw/zinc/26/83/78/180268378.db2.gz ACDPAQZQKGHICD-HNNXBMFYSA-N 1 0 263.385 2.075 10 0 CEAERO CN(c1nncc2ccccc21)C1CCC([NH3+])CC1 ZINC000091848204 180271511 /nfs/dbraw/zinc/27/15/11/180271511.db2.gz RVSKJEJPECQILR-UHFFFAOYSA-N 1 0 256.353 2.336 10 0 CEAERO CC[N@H+](C[C@@H](C(=O)[O-])c1ccccc1)C1CCC([NH3+])CC1 ZINC000091850857 180271987 /nfs/dbraw/zinc/27/19/87/180271987.db2.gz WWGANJPPPXUOEO-UYSNPLJNSA-N 1 0 290.407 2.447 10 0 CEAERO NC(=[NH2+])COc1cccc(NC(=O)N2CCCCC2)c1 ZINC000091969878 180294987 /nfs/dbraw/zinc/29/49/87/180294987.db2.gz AHZNTRZVUIJQIW-UHFFFAOYSA-N 1 0 276.340 2.019 10 0 CEAERO COCC[NH2+]Cc1ncoc1-c1ccc(C)s1 ZINC000091959747 180291976 /nfs/dbraw/zinc/29/19/76/180291976.db2.gz VEZOYUGEFMBEJO-UHFFFAOYSA-N 1 0 252.339 2.448 10 0 CEAERO CCN(CC)C(=O)N(CC)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000091962185 180293062 /nfs/dbraw/zinc/29/30/62/180293062.db2.gz IDKRCXIMBOKQIK-OLZOCXBDSA-N 1 0 255.406 2.288 10 0 CEAERO C[NH2+]C1CCC(NS(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000091872409 180277928 /nfs/dbraw/zinc/27/79/28/180277928.db2.gz DTPRHYWQRYPDBF-VAWYXSNFSA-N 1 0 294.420 2.107 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)c2n[nH]c3ccccc32)CC1 ZINC000091872021 180278024 /nfs/dbraw/zinc/27/80/24/180278024.db2.gz OHPCAZWFGDDXKM-UHFFFAOYSA-N 1 0 286.379 2.166 10 0 CEAERO C[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000091871842 180278139 /nfs/dbraw/zinc/27/81/39/180278139.db2.gz LSCRXOQMEQGGRD-UHFFFAOYSA-N 1 0 296.798 2.366 10 0 CEAERO CCCOc1cncc(N(C)C2CCC([NH2+]C)CC2)n1 ZINC000091873700 180278749 /nfs/dbraw/zinc/27/87/49/180278749.db2.gz YHYSTJHCWXQJIB-UHFFFAOYSA-N 1 0 278.400 2.232 10 0 CEAERO CC[C@](C)(C[NH3+])[C@H](O)c1ccc(OC)cc1OC ZINC000091909618 180284577 /nfs/dbraw/zinc/28/45/77/180284577.db2.gz GPXOJLKSYNFVJI-ZIAGYGMSSA-N 1 0 253.342 2.112 10 0 CEAERO [NH3+]C[C@@]1([C@@H](O)c2cccs2)CCOc2ccccc21 ZINC000091910092 180284711 /nfs/dbraw/zinc/28/47/11/180284711.db2.gz JTZLOWSCPUHDIX-GJZGRUSLSA-N 1 0 275.373 2.461 10 0 CEAERO [NH3+]C[C@@]1([C@@H](O)c2ccccc2C(F)(F)F)CCOC1 ZINC000091910859 180285097 /nfs/dbraw/zinc/28/50/97/180285097.db2.gz UJEPEQCSVWOQTC-RYUDHWBXSA-N 1 0 275.270 2.104 10 0 CEAERO COc1ccc([C@H](O)C2(C[NH3+])CCCC2)c(OC)c1OC ZINC000091910877 180285237 /nfs/dbraw/zinc/28/52/37/180285237.db2.gz HMJMKDCKXQXIKK-HNNXBMFYSA-N 1 0 295.379 2.265 10 0 CEAERO [NH3+]C[C@@]1([C@@H](O)C2CCOCC2)CCCc2ccccc21 ZINC000091913463 180285308 /nfs/dbraw/zinc/28/53/08/180285308.db2.gz NLQBZJIHHJDTKL-IRXDYDNUSA-N 1 0 275.392 2.007 10 0 CEAERO CCC(CC)[C@@H](O)[C@]1(C[NH3+])CCOc2ccccc21 ZINC000091911264 180285353 /nfs/dbraw/zinc/28/53/53/180285353.db2.gz NETSWHVAHOWGME-CVEARBPZSA-N 1 0 263.381 2.463 10 0 CEAERO CC(C)(C)C[C@@H](O)[C@@]1(C[NH3+])COc2ccccc2C1 ZINC000091918065 180285636 /nfs/dbraw/zinc/28/56/36/180285636.db2.gz WHWQOZBXRCRVHG-ZBFHGGJFSA-N 1 0 263.381 2.364 10 0 CEAERO CC1(C)CCC(C[NH3+])([C@@]2(O)CCCOCC2)CC1 ZINC000091922837 180286571 /nfs/dbraw/zinc/28/65/71/180286571.db2.gz ODQPPLRRJHBXLR-OAHLLOKOSA-N 1 0 255.402 2.463 10 0 CEAERO CC(C)[C@H]1C[C@](O)(C2(C[NH3+])Cc3ccccc3C2)CCO1 ZINC000091918909 180286688 /nfs/dbraw/zinc/28/66/88/180286688.db2.gz UMADANARLDARRZ-AEFFLSMTSA-N 1 0 289.419 2.296 10 0 CEAERO CC[C@H]1CC[C@](C[NH3+])(C2(O)CCC3(CC2)OCCO3)C1 ZINC000091924482 180287337 /nfs/dbraw/zinc/28/73/37/180287337.db2.gz XISKBUKVBGOENT-KBPBESRZSA-N 1 0 283.412 2.190 10 0 CEAERO CCN1CCO[C@H](C[NH2+]CCC2CCCCC2)C1 ZINC000092052187 180312689 /nfs/dbraw/zinc/31/26/89/180312689.db2.gz YYSYAQIAARZEMA-OAHLLOKOSA-N 1 0 254.418 2.267 10 0 CEAERO CC(C)C[NH2+]Cc1ccc(OC[C@@H]2CN(C)CCO2)cc1 ZINC000092054503 180314540 /nfs/dbraw/zinc/31/45/40/180314540.db2.gz UXDXJTDYHHJFDA-KRWDZBQOSA-N 1 0 292.423 2.142 10 0 CEAERO CCC1CCC(C[NH2+]C[C@@H]2CN(C)CCO2)CC1 ZINC000092055473 180314670 /nfs/dbraw/zinc/31/46/70/180314670.db2.gz XQQIAHHCCCWYTI-YMAMQOFZSA-N 1 0 254.418 2.123 10 0 CEAERO [NH3+]CCN(C(=O)N1CCCCCC1)C1CCCC1 ZINC000091971132 180295260 /nfs/dbraw/zinc/29/52/60/180295260.db2.gz BDIFEWYJJLWLGX-UHFFFAOYSA-N 1 0 253.390 2.186 10 0 CEAERO CC1CCN(C(=O)N[C@H](C[NH3+])c2ccccc2)CC1 ZINC000091972834 180296276 /nfs/dbraw/zinc/29/62/76/180296276.db2.gz LWFSUJYTXIBOQA-CQSZACIVSA-N 1 0 261.369 2.128 10 0 CEAERO CC1CCN(C(=O)NCc2ccccc2C[NH3+])CC1 ZINC000091990852 180299747 /nfs/dbraw/zinc/29/97/47/180299747.db2.gz HOISFUKFJZJADC-UHFFFAOYSA-N 1 0 261.369 2.087 10 0 CEAERO CO[C@@H]1CCC[C@H](Oc2ccc(C)nc2C[NH3+])C1 ZINC000091993764 180300854 /nfs/dbraw/zinc/30/08/54/180300854.db2.gz XOXIYNZNDYLHOB-NEPJUHHUSA-N 1 0 250.342 2.185 10 0 CEAERO COc1ccc(CCOc2ccc(C)nc2C[NH3+])cc1 ZINC000091993932 180300940 /nfs/dbraw/zinc/30/09/40/180300940.db2.gz LEVBAGSELNCBQQ-UHFFFAOYSA-N 1 0 272.348 2.479 10 0 CEAERO C[NH2+]Cc1nc(C)ccc1OC[C@@H]1CCCCO1 ZINC000091994184 180301266 /nfs/dbraw/zinc/30/12/66/180301266.db2.gz RWEYXAJDRHRVKX-LBPRGKRZSA-N 1 0 250.342 2.057 10 0 CEAERO COC(=O)[C@H](C)Oc1ccc(C)nc1C[NH2+]CC(C)C ZINC000091996432 180302126 /nfs/dbraw/zinc/30/21/26/180302126.db2.gz IWHGJLIALNHJQM-LBPRGKRZSA-N 1 0 280.368 2.076 10 0 CEAERO COCCOc1ccc(C)nc1C[NH2+]C(C)(C)C ZINC000091996067 180302456 /nfs/dbraw/zinc/30/24/56/180302456.db2.gz JHGMKBUPEUKCNQ-UHFFFAOYSA-N 1 0 252.358 2.303 10 0 CEAERO CC[NH2+]Cc1ccc(S(=O)(=O)NC(C)(C)C)c(F)c1 ZINC000092115773 180327056 /nfs/dbraw/zinc/32/70/56/180327056.db2.gz ITTVDHNJHFFMIK-UHFFFAOYSA-N 1 0 288.388 2.012 10 0 CEAERO Cc1cc(C[NH3+])cc(S(=O)(=O)N2C[C@@H](C)[C@H](C)C2)c1C ZINC000092113696 180327342 /nfs/dbraw/zinc/32/73/42/180327342.db2.gz NRAXSONTJQBYGZ-VXGBXAGGSA-N 1 0 296.436 2.039 10 0 CEAERO CC[NH2+]Cc1ccccc1S(=O)(=O)N1C[C@@H](C)[C@H](C)C1 ZINC000092113833 180327395 /nfs/dbraw/zinc/32/73/95/180327395.db2.gz CAFQABJASCHKQE-CHWSQXEVSA-N 1 0 296.436 2.073 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)Nc1cc(C)nc2ccccc21 ZINC000092132520 180329890 /nfs/dbraw/zinc/32/98/90/180329890.db2.gz ORZPZXKAUJGJET-SNVBAGLBSA-N 1 0 257.337 2.337 10 0 CEAERO C[NH2+][C@@H](Cc1nn(C)c2ccccc12)C(C)(C)OC ZINC000092139055 180333511 /nfs/dbraw/zinc/33/35/11/180333511.db2.gz BANLFRBURXVZBD-AWEZNQCLSA-N 1 0 261.369 2.129 10 0 CEAERO CC[NH2+][C@H](Cc1cc(CC)nn1CC)C(C)(C)OC ZINC000092139567 180333712 /nfs/dbraw/zinc/33/37/12/180333712.db2.gz SSVUMRWBSXXCNM-CQSZACIVSA-N 1 0 267.417 2.411 10 0 CEAERO CC[NH2+][C@H]1CCC[C@H]1c1nc(C(C)(C)OC)no1 ZINC000092141506 180334248 /nfs/dbraw/zinc/33/42/48/180334248.db2.gz YDWVUBCZTDCPRL-ZJUUUORDSA-N 1 0 253.346 2.197 10 0 CEAERO Cc1ccc(NC(=O)C[N@H+]2C[C@H](C)[C@H](C)C2)cc1N ZINC000092081430 180319239 /nfs/dbraw/zinc/31/92/39/180319239.db2.gz GJZMBELFJYJYAW-TXEJJXNPSA-N 1 0 261.369 2.104 10 0 CEAERO Cc1c(N)cccc1NC(=O)C[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000092081633 180319402 /nfs/dbraw/zinc/31/94/02/180319402.db2.gz OHZVYIIPYDRIRG-GHMZBOCLSA-N 1 0 261.369 2.104 10 0 CEAERO CC[C@]1(C)C[C@@](CN)([N@@H+]2C[C@H](C)[C@H](C)C2)CCO1 ZINC000092082703 180319492 /nfs/dbraw/zinc/31/94/92/180319492.db2.gz MCHOLMAXZVCHCU-BARDWOONSA-N 1 0 254.418 2.251 10 0 CEAERO CCN[C@@](C)(CCC[N@@H+]1C[C@H](C)[C@H](C)C1)C(=O)OCC ZINC000092087518 180321365 /nfs/dbraw/zinc/32/13/65/180321365.db2.gz QLXFLXGCQBSSAH-LZWOXQAQSA-N 1 0 284.444 2.286 10 0 CEAERO COC(=O)[C@](C)(CCC[NH+]1C[C@H](C)[C@@H](C)C1)NC1CC1 ZINC000092087840 180321453 /nfs/dbraw/zinc/32/14/53/180321453.db2.gz JLQAGKINCMFWIF-XEZPLFJOSA-N 1 0 282.428 2.038 10 0 CEAERO C[C@H]1CN(CC[NH2+]CCc2ccsc2)C[C@H]1C ZINC000092089559 180321612 /nfs/dbraw/zinc/32/16/12/180321612.db2.gz XQLNEJLOGNSTOC-BETUJISGSA-N 1 0 252.427 2.468 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)Nc2ccc(F)cc2Br)C1 ZINC000092201801 180342971 /nfs/dbraw/zinc/34/29/71/180342971.db2.gz HLJIDRTXMCOKLR-APPZFPTMSA-N 1 0 299.143 2.430 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)Nc2ccccc2N2CCCC2)C1 ZINC000092202715 180343333 /nfs/dbraw/zinc/34/33/33/180343333.db2.gz KPBQJVFASQVHDT-QWHCGFSZSA-N 1 0 271.364 2.129 10 0 CEAERO CN(Cc1ccc(Cl)s1)C(=O)[C@H]1C=C[C@H]([NH3+])C1 ZINC000092204491 180343849 /nfs/dbraw/zinc/34/38/49/180343849.db2.gz HMUYPWHUMQAKBE-IUCAKERBSA-N 1 0 270.785 2.263 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)NCCCn2ccc3ccccc32)C1 ZINC000092206495 180344256 /nfs/dbraw/zinc/34/42/56/180344256.db2.gz JCWYUPRJQBFOQQ-LSDHHAIUSA-N 1 0 283.375 2.051 10 0 CEAERO COc1ccc([C@H](NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)C2CC2)cc1 ZINC000092206763 180344320 /nfs/dbraw/zinc/34/43/20/180344320.db2.gz PAFSXAXNJBEKQQ-IIAWOOMASA-N 1 0 286.375 2.166 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1Cc2ccccc2S1 ZINC000092231987 180348343 /nfs/dbraw/zinc/34/83/43/180348343.db2.gz RCUBVHCDBAEHBI-HIFRSBDPSA-N 1 0 290.432 2.304 10 0 CEAERO C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CSc2ccccc21 ZINC000092239326 180351131 /nfs/dbraw/zinc/35/11/31/180351131.db2.gz VGSNRZGEUSNXAM-GXTWGEPZSA-N 1 0 290.432 2.476 10 0 CEAERO CCOC(=O)C1CC[NH+](C[C@@H]2COc3ccccc32)CC1 ZINC000092305653 180360352 /nfs/dbraw/zinc/36/03/52/180360352.db2.gz TWOBLDBMODBDRE-CQSZACIVSA-N 1 0 289.375 2.438 10 0 CEAERO CC[C@@](C)(CO)[NH2+]C[C@H]1Cc2ccccc2S1 ZINC000092244576 180352408 /nfs/dbraw/zinc/35/24/08/180352408.db2.gz SJRCWEFDDBQUMU-OCCSQVGLSA-N 1 0 251.395 2.454 10 0 CEAERO C[C@@H](C(N)=S)[N@H+](C)C[C@@H]1Cc2ccccc2S1 ZINC000092261067 180354085 /nfs/dbraw/zinc/35/40/85/180354085.db2.gz QXAZIJKHRLTZBA-ONGXEEELSA-N 1 0 266.435 2.310 10 0 CEAERO C[NH2+]Cc1nccn1C[C@H]1Cc2ccccc2S1 ZINC000092268414 180355453 /nfs/dbraw/zinc/35/54/53/180355453.db2.gz YUFVLWGOJHZQHG-GFCCVEGCSA-N 1 0 259.378 2.320 10 0 CEAERO CCC[N@H+](CCO)C[C@H]1Cc2ccccc2S1 ZINC000092270252 180355745 /nfs/dbraw/zinc/35/57/45/180355745.db2.gz WKLCSWNUDQMEDZ-CYBMUJFWSA-N 1 0 251.395 2.408 10 0 CEAERO CCN(C[C@H]1Cc2ccccc2S1)[C@@H]1CC[NH2+]C1 ZINC000092267779 180355955 /nfs/dbraw/zinc/35/59/55/180355955.db2.gz HGVITSQJANFLPX-ZIAGYGMSSA-N 1 0 262.422 2.387 10 0 CEAERO C[C@H](C(N)=S)[N@H+](C)C[C@@H]1CSc2ccccc21 ZINC000092275958 180356243 /nfs/dbraw/zinc/35/62/43/180356243.db2.gz XHQCEHQGWINQED-NXEZZACHSA-N 1 0 266.435 2.482 10 0 CEAERO CN1C[C@@H]([NH2+]C[C@@H]2CSc3ccccc32)CCC1=O ZINC000092275676 180356289 /nfs/dbraw/zinc/35/62/89/180356289.db2.gz SUYHISMTMPOOOH-NEPJUHHUSA-N 1 0 276.405 2.086 10 0 CEAERO CC[C@@H]1CN(C[C@@H]2COc3ccccc32)CCC[NH2+]1 ZINC000092307401 180360519 /nfs/dbraw/zinc/36/05/19/180360519.db2.gz ICIJICXUKRXHAW-ZIAGYGMSSA-N 1 0 260.381 2.237 10 0 CEAERO NC(=S)[C@H]1CCC[N@H+](C[C@@H]2COc3ccccc32)C1 ZINC000092301818 180359215 /nfs/dbraw/zinc/35/92/15/180359215.db2.gz YWRVOSYAXIUPTR-NWDGAFQWSA-N 1 0 276.405 2.161 10 0 CEAERO CN(C[C@H]1COc2ccccc21)c1cc[nH+]cc1N ZINC000092302778 180359486 /nfs/dbraw/zinc/35/94/86/180359486.db2.gz PSMOQCJKAOTCQW-NSHDSACASA-N 1 0 255.321 2.276 10 0 CEAERO CC(C)C[NH2+]CCN(C)C[C@@H]1COc2ccccc21 ZINC000092302706 180359669 /nfs/dbraw/zinc/35/96/69/180359669.db2.gz COBALJQLYRDCEE-CQSZACIVSA-N 1 0 262.397 2.340 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)OCc2ccc(Cl)cc2)C1 ZINC000092177597 180337213 /nfs/dbraw/zinc/33/72/13/180337213.db2.gz ARSGMKFRTJPAQC-CMPLNLGQSA-N 1 0 251.713 2.287 10 0 CEAERO COc1cccc(-c2noc([C@@H]3C=C[C@@H]([NH3+])C3)n2)c1 ZINC000092181414 180338276 /nfs/dbraw/zinc/33/82/76/180338276.db2.gz CIZXOBGUORSMNU-GHMZBOCLSA-N 1 0 257.293 2.116 10 0 CEAERO CC[N@H+](CCC(=O)OC)C[C@H]1COc2ccccc21 ZINC000092305668 180360039 /nfs/dbraw/zinc/36/00/39/180360039.db2.gz IJUFDUXNEMUTKW-LBPRGKRZSA-N 1 0 263.337 2.048 10 0 CEAERO CN(c1cccnn1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000105910337 186089256 /nfs/dbraw/zinc/08/92/56/186089256.db2.gz SOHDHPYBBHMRBK-UHFFFAOYSA-N 1 0 297.406 2.015 10 0 CEAERO CCc1nc([C@H]2CCCO2)nc(CC)c1CC[NH2+]C ZINC000092318401 180361631 /nfs/dbraw/zinc/36/16/31/180361631.db2.gz YKDMZHQXVHOVRP-CQSZACIVSA-N 1 0 263.385 2.215 10 0 CEAERO C[C@@H](c1cc(F)ccc1F)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105924246 186091310 /nfs/dbraw/zinc/09/13/10/186091310.db2.gz FTHQZZSUGYBBLQ-WCQYABFASA-N 1 0 284.350 2.288 10 0 CEAERO CC[C@@]1(C(=O)N[C@@H](C)c2c(C)noc2C)CCC[NH2+]C1 ZINC000092329483 180363601 /nfs/dbraw/zinc/36/36/01/180363601.db2.gz WTGFUULDKVDRPH-ZUZCIYMTSA-N 1 0 279.384 2.248 10 0 CEAERO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(Cl)cc2)C[C@H]1C ZINC000106101164 186101840 /nfs/dbraw/zinc/10/18/40/186101840.db2.gz QDJBDZZWLLFQBJ-CHWSQXEVSA-N 1 0 282.815 2.227 10 0 CEAERO CC[C@H]1CN(Cc2ccccc2F)CC[N@@H+]1CCOC ZINC000106113392 186102694 /nfs/dbraw/zinc/10/26/94/186102694.db2.gz TTYZOLWKKXVPJI-HNNXBMFYSA-N 1 0 280.387 2.368 10 0 CEAERO Cc1cc(NS(=O)(=O)c2c(N)ccc(C)c2C)cc[nH+]1 ZINC000092348773 180367642 /nfs/dbraw/zinc/36/76/42/180367642.db2.gz ZBSVVPFGOCUYSP-UHFFFAOYSA-N 1 0 291.376 2.390 10 0 CEAERO c1ccc2c(CN3CC[NH2+][C@@H](C4CC4)C3)ccnc2c1 ZINC000092365554 180368936 /nfs/dbraw/zinc/36/89/36/180368936.db2.gz GVOWDDJJJMXNRZ-QGZVFWFLSA-N 1 0 267.376 2.419 10 0 CEAERO Cc1cc(NS(=O)(=O)c2ccc([C@@H](C)O)cc2)cc[nH+]1 ZINC000092365809 180369197 /nfs/dbraw/zinc/36/91/97/180369197.db2.gz JXZAHWJPOHCENB-LLVKDONJSA-N 1 0 292.360 2.244 10 0 CEAERO CCNc1cccc(C[N@@H+]2CCCC[C@@H]2CCO)n1 ZINC000092368054 180370056 /nfs/dbraw/zinc/37/00/56/180370056.db2.gz REYUIJCGPGFNQD-CQSZACIVSA-N 1 0 263.385 2.250 10 0 CEAERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000105897772 186085613 /nfs/dbraw/zinc/08/56/13/186085613.db2.gz UTUDPFRADVGTED-CQSZACIVSA-N 1 0 273.384 2.016 10 0 CEAERO COc1ccc2c(c1)[C@H](O)[C@H]([N@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000092387644 180374917 /nfs/dbraw/zinc/37/49/17/180374917.db2.gz VOWCXDQJXOUQLC-AWBCAMRRSA-N 1 0 291.391 2.153 10 0 CEAERO CC[C@H]([NH3+])[C@]1(CCO)CCCc2ccc(OC)cc21 ZINC000092390672 180375071 /nfs/dbraw/zinc/37/50/71/180375071.db2.gz LNUBOQSMUVVXSS-HOTGVXAUSA-N 1 0 263.381 2.389 10 0 CEAERO CC(C)[C@H](CO)[NH2+]Cc1cc2c(c(Cl)c1)OCO2 ZINC000092392137 180376158 /nfs/dbraw/zinc/37/61/58/180376158.db2.gz NUUGVLWDVIQZPO-NSHDSACASA-N 1 0 271.744 2.175 10 0 CEAERO CCCCOCCNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106912081 186149621 /nfs/dbraw/zinc/14/96/21/186149621.db2.gz RKBIPLOCSKCGBR-INIZCTEOSA-N 1 0 292.423 2.092 10 0 CEAERO CC(C)[C@H](CO)[NH2+]C[C@@H]1Cc2ccccc2S1 ZINC000092400496 180377776 /nfs/dbraw/zinc/37/77/76/180377776.db2.gz MITHQPXZXKURMI-STQMWFEESA-N 1 0 251.395 2.310 10 0 CEAERO [NH3+]CC[C@H]1CCCCN1Cc1cc(Cl)ccn1 ZINC000092417234 180380895 /nfs/dbraw/zinc/38/08/95/180380895.db2.gz LNZFWYDFECHYMV-CYBMUJFWSA-N 1 0 253.777 2.438 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)ccn1 ZINC000092417139 180381261 /nfs/dbraw/zinc/38/12/61/180381261.db2.gz GYFXWFDREFMKMK-VGPLMAKISA-N 1 0 251.761 2.189 10 0 CEAERO CCCc1[nH+]c(-c2ccc3c(c2)OCCO3)c(N)n1C ZINC000106834406 186138587 /nfs/dbraw/zinc/13/85/87/186138587.db2.gz VTCPIUJNMCJNAM-UHFFFAOYSA-N 1 0 273.336 2.393 10 0 CEAERO CCOCCO[C@H]1CCc2ccc(OC)cc2[C@H]1[NH2+]C ZINC000092386391 180373568 /nfs/dbraw/zinc/37/35/68/180373568.db2.gz AZVXEAARFGCLPV-JKSUJKDBSA-N 1 0 279.380 2.324 10 0 CEAERO CC[NH2+][C@@H]1c2cc(OC)ccc2CC[C@H]1OCCOC ZINC000092386362 180373666 /nfs/dbraw/zinc/37/36/66/180373666.db2.gz KRIPJHZQNUWLAB-HZPDHXFCSA-N 1 0 279.380 2.324 10 0 CEAERO C[NH2+][C@@H]1c2cc(OC)ccc2CC[C@@H]1N(C)CCCOC ZINC000092385833 180373954 /nfs/dbraw/zinc/37/39/54/180373954.db2.gz OMZCNXZKCGLJQJ-DLBZAZTESA-N 1 0 292.423 2.239 10 0 CEAERO COc1cc(OC)c([C@@H](C[NH3+])C(C)C)c(OC)c1 ZINC000107295771 186167760 /nfs/dbraw/zinc/16/77/60/186167760.db2.gz XGHMJPNIENOFPE-NSHDSACASA-N 1 0 253.342 2.411 10 0 CEAERO O=C(CC[N@H+]1[C@@H]2CC[C@H]1CC(O)C2)c1ccccc1 ZINC000107928023 186198529 /nfs/dbraw/zinc/19/85/29/186198529.db2.gz LZFLLQUFZMEWBQ-YIONKMFJSA-N 1 0 259.349 2.247 10 0 CEAERO CCn1nc(C)c2nc(N)n(C[C@@H](C)[NH+]3CCCCC3)c21 ZINC000092591804 180409320 /nfs/dbraw/zinc/40/93/20/180409320.db2.gz JDYSETNUXLRBBN-LLVKDONJSA-N 1 0 290.415 2.018 10 0 CEAERO CCC[C@H](C(=O)N[C@@H](C)c1cccc(O)c1)[NH+](C)C ZINC000130625486 365975477 /nfs/dbraw/zinc/97/54/77/365975477.db2.gz USSXRKLKHRPWKJ-SMDDNHRTSA-N 1 0 264.369 2.300 10 0 CEAERO C[C@H](CO)C[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000109122379 186244542 /nfs/dbraw/zinc/24/45/42/186244542.db2.gz YTMNYOJOLKQTPU-LRDDRELGSA-N 1 0 259.349 2.091 10 0 CEAERO C[NH2+][C@H]1CCCCC[C@H]1c1nc(C[C@@H]2CCCO2)no1 ZINC000109495594 186256677 /nfs/dbraw/zinc/25/66/77/186256677.db2.gz XUIXYHUEVWSCGC-XQQFMLRXSA-N 1 0 279.384 2.427 10 0 CEAERO C[NH2+][C@H](C)[C@@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000109503212 186257094 /nfs/dbraw/zinc/25/70/94/186257094.db2.gz PBBNDIDWSNPFHA-NXEZZACHSA-N 1 0 261.325 2.457 10 0 CEAERO COC[C@H]([NH3+])Cc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000109506081 186257828 /nfs/dbraw/zinc/25/78/28/186257828.db2.gz BZLZFTZKOOCTQP-CYBMUJFWSA-N 1 0 275.352 2.376 10 0 CEAERO Cc1nc(Cc2noc([C@@H]3CCC[C@H]3[NH3+])n2)cs1 ZINC000109511359 186258168 /nfs/dbraw/zinc/25/81/68/186258168.db2.gz SVVOIWCYUIAVTR-NXEZZACHSA-N 1 0 264.354 2.020 10 0 CEAERO CC[NH2+][C@H](Cc1nc(-c2cnccn2)no1)C(C)(C)C ZINC000109507146 186258183 /nfs/dbraw/zinc/25/81/83/186258183.db2.gz HBPQVOHJPUVYMY-LLVKDONJSA-N 1 0 275.356 2.093 10 0 CEAERO CC[NH2+][C@H](C)[C@H](c1nc(-c2cnccn2)no1)C(C)C ZINC000109507292 186258203 /nfs/dbraw/zinc/25/82/03/186258203.db2.gz YVTCMGZOLBQLSX-ZYHUDNBSSA-N 1 0 275.356 2.264 10 0 CEAERO C[NH2+][C@@H](C)[C@@H](C)c1nc(COc2ccccc2)no1 ZINC000109509506 186258466 /nfs/dbraw/zinc/25/84/66/186258466.db2.gz PTMTWMFEAIPSOW-MNOVXSKESA-N 1 0 261.325 2.360 10 0 CEAERO C[NH2+][C@H](C)Cc1nc(Cc2cc(C)cc(C)c2)no1 ZINC000109509652 186258501 /nfs/dbraw/zinc/25/85/01/186258501.db2.gz SOKLHGLQUBHETF-GFCCVEGCSA-N 1 0 259.353 2.428 10 0 CEAERO CC[NH2+][C@H](COC)Cc1nc(-c2cc(F)cc(F)c2)no1 ZINC000109520633 186258765 /nfs/dbraw/zinc/25/87/65/186258765.db2.gz LVXWEEUFNDSWEU-LBPRGKRZSA-N 1 0 297.305 2.182 10 0 CEAERO CC[NH2+][C@@H](COC)Cc1nc(-c2cc(F)cc(F)c2)no1 ZINC000109520637 186259207 /nfs/dbraw/zinc/25/92/07/186259207.db2.gz LVXWEEUFNDSWEU-GFCCVEGCSA-N 1 0 297.305 2.182 10 0 CEAERO C[NH2+][C@@H]1CCC[C@@H]1c1nc(-c2ncccc2C)no1 ZINC000109519064 186259417 /nfs/dbraw/zinc/25/94/17/186259417.db2.gz VDDSTGOHOOEHOR-WDEREUQCSA-N 1 0 258.325 2.296 10 0 CEAERO C[NH2+][C@H]1C(=O)Nc2cc(Oc3cccc(CO)c3)ccc21 ZINC000109576619 186263542 /nfs/dbraw/zinc/26/35/42/186263542.db2.gz MKFOUWNQBPAPFH-OAHLLOKOSA-N 1 0 284.315 2.184 10 0 CEAERO CCC[NH2+][C@@H]1C(=O)Nc2cc(-n3nc(C)cc3C)ccc21 ZINC000109572835 186263658 /nfs/dbraw/zinc/26/36/58/186263658.db2.gz JLENYKNQOQRRIU-HNNXBMFYSA-N 1 0 284.363 2.482 10 0 CEAERO C[N@@H+]1CC[C@@H](CNc2cc(C(=O)[O-])nc3ccccc32)C1 ZINC000109587694 186264196 /nfs/dbraw/zinc/26/41/96/186264196.db2.gz LUTACCOASUZVAA-NSHDSACASA-N 1 0 285.347 2.297 10 0 CEAERO CC[C@@H]1CC[C@@H](C[NH3+])[C@H](Sc2nnc(C)n2C)C1 ZINC000109687073 186268593 /nfs/dbraw/zinc/26/85/93/186268593.db2.gz UVBFEJWVBXCBEL-GRYCIOLGSA-N 1 0 268.430 2.369 10 0 CEAERO CCOc1ccc([C@@H](C)[NH2+]CCc2nncn2C)cc1 ZINC000109421055 186252043 /nfs/dbraw/zinc/25/20/43/186252043.db2.gz DRGBWACKWTUYBQ-GFCCVEGCSA-N 1 0 274.368 2.107 10 0 CEAERO CC(C)[C@@H]1CCc2nc(CN3CC[NH2+]CC3)sc2C1 ZINC000109432493 186252435 /nfs/dbraw/zinc/25/24/35/186252435.db2.gz PKCISCUHUYLYKW-GFCCVEGCSA-N 1 0 279.453 2.309 10 0 CEAERO C[NH+](C)[C@H]1CCN(c2cccc(Cl)c2C(N)=S)C1 ZINC000110278288 186289778 /nfs/dbraw/zinc/28/97/78/186289778.db2.gz STJQLJNQQOERFD-VIFPVBQESA-N 1 0 283.828 2.115 10 0 CEAERO C[NH+](C)[C@H]1CCN(Cc2ccc3c(c2)CCCN3)C1 ZINC000110370556 186294366 /nfs/dbraw/zinc/29/43/66/186294366.db2.gz BWAMRJNOHNEKHV-HNNXBMFYSA-N 1 0 259.397 2.181 10 0 CEAERO c1cc(CN2CC[C@H]([NH+]3CCCC3)C2)cc2c1NCC2 ZINC000110370949 186294403 /nfs/dbraw/zinc/29/44/03/186294403.db2.gz WTXROUNOEXFHKZ-INIZCTEOSA-N 1 0 271.408 2.325 10 0 CEAERO C[NH2+][C@@H](C)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000110444861 186296571 /nfs/dbraw/zinc/29/65/71/186296571.db2.gz BCFMUVFFQUDETP-ZETCQYMHSA-N 1 0 253.252 2.165 10 0 CEAERO CCC[NH2+][C@H](CC)[C@@H](C)c1nc(-c2ncccn2)no1 ZINC000110478748 186299607 /nfs/dbraw/zinc/29/96/07/186299607.db2.gz GQODRIZEBDCCJF-GHMZBOCLSA-N 1 0 275.356 2.408 10 0 CEAERO CC[C@H]([NH3+])[C@H](O[C@@H]1CCOC1)c1cccc(F)c1 ZINC000110525923 186301323 /nfs/dbraw/zinc/30/13/23/186301323.db2.gz ACJTURRSBQDQFU-HZSPNIEDSA-N 1 0 253.317 2.410 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(c2cc(OC)c(F)cc2N)CC1 ZINC000110627826 186306335 /nfs/dbraw/zinc/30/63/35/186306335.db2.gz IPCYBPBQAYTWRC-LLVKDONJSA-N 1 0 281.375 2.337 10 0 CEAERO CCOc1cc(N[C@H]2C[NH+]3CCC2CC3)c(N)cc1F ZINC000110632531 186307239 /nfs/dbraw/zinc/30/72/39/186307239.db2.gz VEMDZYHREXBLOT-AWEZNQCLSA-N 1 0 279.359 2.313 10 0 CEAERO COc1cc2c(cc1F)[nH+]c(N)n2[C@H]1CCCC[C@H]1O ZINC000110630115 186307305 /nfs/dbraw/zinc/30/73/05/186307305.db2.gz OZTGHTJSKGNJFQ-CMPLNLGQSA-N 1 0 279.315 2.242 10 0 CEAERO COc1cc2c(cc1F)[nH+]c(N)n2[C@H]1CCCOC1 ZINC000110630236 186307744 /nfs/dbraw/zinc/30/77/44/186307744.db2.gz AHIZTAFKKMBIGE-QMMMGPOBSA-N 1 0 265.288 2.118 10 0 CEAERO CC[NH+]1CCN(c2cc(OC(F)F)c(F)cc2N)CC1 ZINC000110635662 186307767 /nfs/dbraw/zinc/30/77/67/186307767.db2.gz DNQWNVZXTNYVEZ-UHFFFAOYSA-N 1 0 289.301 2.151 10 0 CEAERO C[NH2+]Cc1nc(CN2CCC[C@H](C)CC2)cs1 ZINC000110812503 186326480 /nfs/dbraw/zinc/32/64/80/186326480.db2.gz NPYWQHBOZYNZKK-NSHDSACASA-N 1 0 253.415 2.485 10 0 CEAERO C[C@H]1CCCN(S(=O)(=O)c2ccc(C[NH3+])s2)CC1 ZINC000110816271 186326549 /nfs/dbraw/zinc/32/65/49/186326549.db2.gz UROCTKPZIJLZQG-JTQLQIEISA-N 1 0 288.438 2.018 10 0 CEAERO C[C@H]1CCCN(c2nc3sccn3c2C[NH3+])CC1 ZINC000110807536 186326782 /nfs/dbraw/zinc/32/67/82/186326782.db2.gz RGMSDQZKWXTTBG-JTQLQIEISA-N 1 0 264.398 2.481 10 0 CEAERO CC[C@@H]([NH3+])[C@H](O)c1ccc(OC)c(OC)c1Cl ZINC000110827606 186327473 /nfs/dbraw/zinc/32/74/73/186327473.db2.gz XNGODKKXEKYHOM-LDYMZIIASA-N 1 0 259.733 2.128 10 0 CEAERO COc1ccc(CNC[C@@H]2CC[N@H+](C)C2)c(Cl)c1OC ZINC000110821655 186327795 /nfs/dbraw/zinc/32/77/95/186327795.db2.gz ILLVQWOZHZEMMV-NSHDSACASA-N 1 0 298.814 2.399 10 0 CEAERO CCN[C@@](C)(CC[N@H+](C)CC1CCCC1)C(=O)OCC ZINC000110840500 186328018 /nfs/dbraw/zinc/32/80/18/186328018.db2.gz QUJVHSOXXSCMAX-INIZCTEOSA-N 1 0 284.444 2.430 10 0 CEAERO CCOC(=O)[C@](C)(CCC[N@H+](C)CC1CCCC1)NC ZINC000110840993 186328205 /nfs/dbraw/zinc/32/82/05/186328205.db2.gz LFRNIUCJEXTWKR-INIZCTEOSA-N 1 0 284.444 2.430 10 0 CEAERO CCCN[C@](C)(CC[N@H+](C)CC1CCCC1)C(=O)OC ZINC000110841201 186328563 /nfs/dbraw/zinc/32/85/63/186328563.db2.gz SMHRZKXAMYWJFP-MRXNPFEDSA-N 1 0 284.444 2.430 10 0 CEAERO Cc1ccc([C@@H](SCCS(C)(=O)=O)[C@H](C)[NH3+])cc1 ZINC000111004245 186341283 /nfs/dbraw/zinc/34/12/83/186341283.db2.gz PMWLFCZQKDLEGL-AAEUAGOBSA-N 1 0 287.450 2.161 10 0 CEAERO CN(CC1CCCC1)C(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000110848105 186329759 /nfs/dbraw/zinc/32/97/59/186329759.db2.gz KEDVMQLLNQJXBO-UHFFFAOYSA-N 1 0 282.775 2.283 10 0 CEAERO CC(C)[C@H](CNCc1n[nH]nc1-c1ccccc1)[NH+](C)C ZINC000110924451 186333391 /nfs/dbraw/zinc/33/33/91/186333391.db2.gz CSEUIJZXVXQLCA-HNNXBMFYSA-N 1 0 287.411 2.148 10 0 CEAERO CN(c1cccc(C(F)(F)F)n1)[C@H]1CCC[NH2+]C1 ZINC000110932836 186333810 /nfs/dbraw/zinc/33/38/10/186333810.db2.gz UGTUIEOTFYIHSI-VIFPVBQESA-N 1 0 259.275 2.289 10 0 CEAERO Cc1ccc(-c2nnc(CN(C)[C@H]3CCC[NH2+]C3)o2)cc1 ZINC000110928843 186334062 /nfs/dbraw/zinc/33/40/62/186334062.db2.gz HQROELYHIUJEEX-AWEZNQCLSA-N 1 0 286.379 2.229 10 0 CEAERO CCc1ccc(S(=O)(=O)N(CC)[C@H]2CCC[NH2+]C2)cc1 ZINC000110941790 186334623 /nfs/dbraw/zinc/33/46/23/186334623.db2.gz GBHYAOXTEFNIDG-AWEZNQCLSA-N 1 0 296.436 2.012 10 0 CEAERO CCN(c1ccc(C(N)=O)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000110947433 186335295 /nfs/dbraw/zinc/33/52/95/186335295.db2.gz OPBATFJCJCXHFG-LLVKDONJSA-N 1 0 281.787 2.017 10 0 CEAERO CCCCC[C@@H](C)NC(=O)CN(CC)[C@@H]1CCC[NH2+]C1 ZINC000110943876 186335311 /nfs/dbraw/zinc/33/53/11/186335311.db2.gz CKGUZXVGIOLLEK-HUUCEWRRSA-N 1 0 283.460 2.145 10 0 CEAERO CC[C@H](C)NC(=O)[C@H](C)n1c(CC[NH3+])nc2ccccc21 ZINC000110948840 186335619 /nfs/dbraw/zinc/33/56/19/186335619.db2.gz FXQUUCWHBPXUOG-RYUDHWBXSA-N 1 0 288.395 2.013 10 0 CEAERO CCOc1cccc(-n2c(CC[NH3+])nc3ccccc32)n1 ZINC000110949092 186335724 /nfs/dbraw/zinc/33/57/24/186335724.db2.gz YBTRPXBTDYWDPG-UHFFFAOYSA-N 1 0 282.347 2.320 10 0 CEAERO C[NH2+]Cc1csc(Cc2nc3ccccc3[nH]2)n1 ZINC000110950450 186335893 /nfs/dbraw/zinc/33/58/93/186335893.db2.gz OESIFWJNGTYOEC-UHFFFAOYSA-N 1 0 258.350 2.330 10 0 CEAERO CCCN(CC(=O)NC1CCC(C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000110946292 186336035 /nfs/dbraw/zinc/33/60/35/186336035.db2.gz GJZVESHQERWKOF-UYSNPLJNSA-N 1 0 295.471 2.145 10 0 CEAERO Cc1ccc([C@@H](C)[NH3+])c(O[C@H](C)C(=O)NC(C)C)c1 ZINC000110957819 186336653 /nfs/dbraw/zinc/33/66/53/186336653.db2.gz NNHHSCHMESQKMP-VXGBXAGGSA-N 1 0 264.369 2.307 10 0 CEAERO CCCNC(=O)[C@@H](C)Oc1cc(C)ccc1[C@H](C)[NH3+] ZINC000110957682 186336753 /nfs/dbraw/zinc/33/67/53/186336753.db2.gz GWTPNLJULPXELU-NWDGAFQWSA-N 1 0 264.369 2.308 10 0 CEAERO CCN(CCOC)[C@H](C[NH3+])c1ccc(C)c(F)c1 ZINC000110977467 186338964 /nfs/dbraw/zinc/33/89/64/186338964.db2.gz OMNPIWTYFBVJII-CQSZACIVSA-N 1 0 254.349 2.102 10 0 CEAERO Cc1ccc([C@@H](C[NH3+])N2CCOCC2(C)C)cc1F ZINC000110977365 186339004 /nfs/dbraw/zinc/33/90/04/186339004.db2.gz XGEAAKMORMGICO-CQSZACIVSA-N 1 0 266.360 2.245 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1sccc1C)N1CCNC(=O)C1(C)C ZINC000110653813 186311469 /nfs/dbraw/zinc/31/14/69/186311469.db2.gz HGAUECIIQCTLQU-VXGBXAGGSA-N 1 0 295.452 2.045 10 0 CEAERO CC[N@@H+]1CCN(C(=O)c2cc(C)ccc2NC)C[C@H]1C ZINC000110696645 186314191 /nfs/dbraw/zinc/31/41/91/186314191.db2.gz XVYJBVYSHVJQSY-CYBMUJFWSA-N 1 0 275.396 2.203 10 0 CEAERO CC[C@H]1CN(CC(=O)c2ccccc2C)CC[N@@H+]1C ZINC000110728405 186317127 /nfs/dbraw/zinc/31/71/27/186317127.db2.gz QLTUMEFQMAPKIV-AWEZNQCLSA-N 1 0 260.381 2.204 10 0 CEAERO CC[C@H]1C[N@H+](C[C@@H]2CCCCCC2=O)CCN1C ZINC000110743978 186319230 /nfs/dbraw/zinc/31/92/30/186319230.db2.gz UADGDJUYZNIHGC-KBPBESRZSA-N 1 0 252.402 2.162 10 0 CEAERO C[C@H]1CN(CCNc2ccccc2Cl)CC[N@@H+]1C ZINC000110756463 186321574 /nfs/dbraw/zinc/32/15/74/186321574.db2.gz VRTRYQKSILFCIO-LBPRGKRZSA-N 1 0 267.804 2.388 10 0 CEAERO CCNc1ccc(C(=O)N2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000110771516 186323862 /nfs/dbraw/zinc/32/38/62/186323862.db2.gz OYOFMQQLIRMGRW-UHFFFAOYSA-N 1 0 275.396 2.285 10 0 CEAERO CCCn1cccc1C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000110792024 186324569 /nfs/dbraw/zinc/32/45/69/186324569.db2.gz BAUJQGHMRBFHPL-CYBMUJFWSA-N 1 0 263.385 2.018 10 0 CEAERO CCCCC[C@@H](C)[NH2+]CCSCCS(C)(=O)=O ZINC000111007441 186341990 /nfs/dbraw/zinc/34/19/90/186341990.db2.gz YJMUKXHMZMFBBM-GFCCVEGCSA-N 1 0 281.487 2.323 10 0 CEAERO C[NH+](C)CC(C)(C)CNC(=O)c1c(N)cccc1Cl ZINC000111008469 186342518 /nfs/dbraw/zinc/34/25/18/186342518.db2.gz YZUFOMPJSBVRKW-UHFFFAOYSA-N 1 0 283.803 2.240 10 0 CEAERO O=C1CC[C@@H]([NH2+][C@@H]2CCSc3c(F)cccc32)CN1 ZINC000111018064 186343763 /nfs/dbraw/zinc/34/37/63/186343763.db2.gz UPJFBHJUABMAQM-BXKDBHETSA-N 1 0 280.368 2.231 10 0 CEAERO [NH3+]Cc1cc(F)ccc1N[C@H](CO)Cc1ccccc1 ZINC000111028373 186346077 /nfs/dbraw/zinc/34/60/77/186346077.db2.gz XSUAHPVMMFGWKV-HNNXBMFYSA-N 1 0 274.339 2.300 10 0 CEAERO C[C@@H]1CN(c2ccc(F)cc2C(N)=[NH2+])CC(C)(C)O1 ZINC000111034456 186346644 /nfs/dbraw/zinc/34/66/44/186346644.db2.gz SRCAKWMYULXYKJ-SECBINFHSA-N 1 0 265.332 2.113 10 0 CEAERO COCCN([C@@H](C[NH3+])c1cccc(F)c1F)C1CC1 ZINC000111039634 186346859 /nfs/dbraw/zinc/34/68/59/186346859.db2.gz CIKSFADIJPDRSY-ZDUSSCGKSA-N 1 0 270.323 2.075 10 0 CEAERO Cc1cnccc1NC(=O)Cc1ccc(C[NH3+])cc1 ZINC000111043078 186347452 /nfs/dbraw/zinc/34/74/52/186347452.db2.gz LMOHYESYPNRUPD-UHFFFAOYSA-N 1 0 255.321 2.030 10 0 CEAERO CC[C@H](N)[C@H]([N@H+](C)C[C@@H]1CCCOC1)C(C)(C)C ZINC000111154053 186360981 /nfs/dbraw/zinc/36/09/81/186360981.db2.gz CWNSYMLHTVKMGI-IHRRRGAJSA-N 1 0 256.434 2.497 10 0 CEAERO Cc1cc([C@@H](CN)[N@H+](C)CC2CCOCC2)ccc1F ZINC000111159413 186361658 /nfs/dbraw/zinc/36/16/58/186361658.db2.gz VOZFFRFGZKVSDH-MRXNPFEDSA-N 1 0 280.387 2.492 10 0 CEAERO NC(=O)c1ccccc1C[NH2+]C[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000111086825 186351416 /nfs/dbraw/zinc/35/14/16/186351416.db2.gz XTBVZSVBVSTLPN-OUCADQQQSA-N 1 0 258.365 2.311 10 0 CEAERO [NH3+]Cc1ccc(CC(=O)NC[C@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000111075917 186351643 /nfs/dbraw/zinc/35/16/43/186351643.db2.gz VXJGJXZEOJGDTG-ARFHVFGLSA-N 1 0 272.392 2.240 10 0 CEAERO CCN(C(=O)C[NH2+]C[C@H]1C[C@H]2CC[C@@H]1C2)C1CC1 ZINC000111087980 186351894 /nfs/dbraw/zinc/35/18/94/186351894.db2.gz ZJMRGZVTKXFXPP-YNEHKIRRSA-N 1 0 250.386 2.023 10 0 CEAERO CCCOCCO[C@@H](C[NH3+])c1ccccc1OC ZINC000111105586 186352613 /nfs/dbraw/zinc/35/26/13/186352613.db2.gz CZUZCLIUXRYDOM-AWEZNQCLSA-N 1 0 253.342 2.138 10 0 CEAERO c1cc(CC[NH2+]CCSc2ccncn2)cs1 ZINC000111115880 186353250 /nfs/dbraw/zinc/35/32/50/186353250.db2.gz GEPRNECQYFVCFA-UHFFFAOYSA-N 1 0 265.407 2.463 10 0 CEAERO CCC([NH3+])(CC)CNc1nc(OC)ncc1Cl ZINC000130068830 187468851 /nfs/dbraw/zinc/46/88/51/187468851.db2.gz WGYCNZPJVOAGDY-UHFFFAOYSA-N 1 0 258.753 2.068 10 0 CEAERO CCC[NH2+]Cc1ccnc(N(CC)CCOCC)c1 ZINC000111123447 186354638 /nfs/dbraw/zinc/35/46/38/186354638.db2.gz ZKLHGLSCITUATN-UHFFFAOYSA-N 1 0 265.401 2.444 10 0 CEAERO CCOCCN(CC)c1nc(C)cc(C)c1C[NH2+]C ZINC000111123549 186355060 /nfs/dbraw/zinc/35/50/60/186355060.db2.gz NRGUXZHERKFJMA-UHFFFAOYSA-N 1 0 265.401 2.281 10 0 CEAERO CCOCCN(CC)c1ccc(C(N)=[NH2+])cc1Cl ZINC000111119651 186355092 /nfs/dbraw/zinc/35/50/92/186355092.db2.gz POKXDQOOJDXMBX-UHFFFAOYSA-N 1 0 269.776 2.487 10 0 CEAERO CCNc1ncccc1C[N@H+](CC)CCOCC ZINC000111122342 186355692 /nfs/dbraw/zinc/35/56/92/186355692.db2.gz XMEIIYMXNDNLMX-UHFFFAOYSA-N 1 0 251.374 2.372 10 0 CEAERO CN(CC[NH+](C)C)C1N=NC(=S)N1C1CCCCC1 ZINC000111141284 186358117 /nfs/dbraw/zinc/35/81/17/186358117.db2.gz VEPSNCVDQNWJDY-UHFFFAOYSA-N 1 0 283.445 2.070 10 0 CEAERO Cc1cc(C)c([C@@H](O)CN(C)CC[NH+](C)C)c(C)c1 ZINC000111143427 186359011 /nfs/dbraw/zinc/35/90/11/186359011.db2.gz YEENIKOLAIKSRF-HNNXBMFYSA-N 1 0 264.413 2.139 10 0 CEAERO CCNc1ncccc1C[N@H+](C)C[C@H]1CCCOC1 ZINC000111170713 186364858 /nfs/dbraw/zinc/36/48/58/186364858.db2.gz FOLJUZDJWLMWBG-CYBMUJFWSA-N 1 0 263.385 2.372 10 0 CEAERO O=C(c1ccc2c(c1)COC2)N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000111306347 186394238 /nfs/dbraw/zinc/39/42/38/186394238.db2.gz FZGSKHRBDFDXGJ-JKSUJKDBSA-N 1 0 286.375 2.073 10 0 CEAERO CC[C@H](C)[NH2+]C[C@H](C)Sc1nnc(N(C)C)s1 ZINC000111317387 186395747 /nfs/dbraw/zinc/39/57/47/186395747.db2.gz CUCNHGPYEUMPCE-IUCAKERBSA-N 1 0 274.459 2.473 10 0 CEAERO CCN(Cc1cccs1)[C@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111320889 186396941 /nfs/dbraw/zinc/39/69/41/186396941.db2.gz OSEQUIFPXXZKEW-TZMCWYRMSA-N 1 0 268.426 2.324 10 0 CEAERO C[NH2+]C[C@@]1(CN(C)Cc2ccc(C)o2)CCCOC1 ZINC000111325120 186398265 /nfs/dbraw/zinc/39/82/65/186398265.db2.gz XDBKWZZRBIBNRM-OAHLLOKOSA-N 1 0 266.385 2.036 10 0 CEAERO C[NH2+]C[C@]1(CN(C)c2ccccc2C)CCCOC1 ZINC000111327295 186398983 /nfs/dbraw/zinc/39/89/83/186398983.db2.gz HSEIEMPYESGURL-INIZCTEOSA-N 1 0 262.397 2.447 10 0 CEAERO CCN(C[C@@]1(C[NH3+])CCCOC1)c1ccc(F)cc1 ZINC000111326614 186399182 /nfs/dbraw/zinc/39/91/82/186399182.db2.gz QSFYVKANFGALIF-HNNXBMFYSA-N 1 0 266.360 2.408 10 0 CEAERO CC(C)CCc1noc([C@]2(C(F)(F)F)CC[NH2+]C2)n1 ZINC000111240893 186374875 /nfs/dbraw/zinc/37/48/75/186374875.db2.gz NXPFEWUAVAQUAL-NSHDSACASA-N 1 0 277.290 2.452 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)o1 ZINC000111244259 186376041 /nfs/dbraw/zinc/37/60/41/186376041.db2.gz CVCPCGMWAUIKHO-BXKDBHETSA-N 1 0 290.285 2.307 10 0 CEAERO COc1ccccc1-c1noc([C@H]2C[NH2+]C[C@H]2C)n1 ZINC000111256384 186379814 /nfs/dbraw/zinc/37/98/14/186379814.db2.gz CLRLLJMXZOZMTL-KOLCDFICSA-N 1 0 259.309 2.068 10 0 CEAERO CCOc1ccc(OCC)c(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000111262986 186380316 /nfs/dbraw/zinc/38/03/16/186380316.db2.gz XHKJVUNSPYVUMV-DGCLKSJQSA-N 1 0 292.379 2.278 10 0 CEAERO Cc1ccc2nc(NC(=O)[C@@H]3C[NH2+]C[C@@H]3C)sc2c1 ZINC000111262943 186380494 /nfs/dbraw/zinc/38/04/94/186380494.db2.gz XXQBONKUDDTLPR-VHSXEESVSA-N 1 0 275.377 2.399 10 0 CEAERO Cc1cc([C@@H](C)NC(=O)[C@@H]2C[NH2+]C[C@@H]2C)c(C)s1 ZINC000111264375 186381851 /nfs/dbraw/zinc/38/18/51/186381851.db2.gz KZYZDJBRMAFMJX-IYYTYJHQSA-N 1 0 266.410 2.398 10 0 CEAERO CCOC(=O)Nc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@@H]2C)cc1 ZINC000111265752 186381975 /nfs/dbraw/zinc/38/19/75/186381975.db2.gz YKOYUGOUHULCSP-GXFFZTMASA-N 1 0 291.351 2.049 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)N(Cc1ccco1)CC(F)(F)F ZINC000111268147 186382328 /nfs/dbraw/zinc/38/23/28/186382328.db2.gz BXSROEKZRMMYLZ-GXSJLCMTSA-N 1 0 290.285 2.026 10 0 CEAERO CCOc1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2C)c(C)c1 ZINC000111267716 186382539 /nfs/dbraw/zinc/38/25/39/186382539.db2.gz IJEQKQPPYZZXQJ-AAEUAGOBSA-N 1 0 262.353 2.188 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc(-c2cnco2)c1 ZINC000111267639 186382633 /nfs/dbraw/zinc/38/26/33/186382633.db2.gz GAGYTWVUNVXMKH-GWCFXTLKSA-N 1 0 271.320 2.136 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000111268003 186382913 /nfs/dbraw/zinc/38/29/13/186382913.db2.gz LNBWDPZXNVGXLB-BXUZGUMPSA-N 1 0 296.798 2.033 10 0 CEAERO CCc1nc2cc(NC(=O)[C@H]3C[NH2+]C[C@@H]3C)ccc2o1 ZINC000111267796 186383072 /nfs/dbraw/zinc/38/30/72/186383072.db2.gz QPKBHHGMYFAXTM-ONGXEEELSA-N 1 0 273.336 2.184 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC[C@@H]1c1cccs1 ZINC000111268055 186383375 /nfs/dbraw/zinc/38/33/75/186383375.db2.gz GATHRXPRXAGWCF-SDDRHHMPSA-N 1 0 264.394 2.267 10 0 CEAERO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000111268481 186383685 /nfs/dbraw/zinc/38/36/85/186383685.db2.gz VLWPUQLPOYPUEY-JFGNBEQYSA-N 1 0 282.334 2.340 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC[C@@H]1C1CCCCC1 ZINC000111269291 186383812 /nfs/dbraw/zinc/38/38/12/186383812.db2.gz MLVYKXSGKWUORV-AEGPPILISA-N 1 0 264.413 2.413 10 0 CEAERO Cc1ccc([C@H](C)N(C)C(=O)[C@@H]2C[NH2+]C[C@@H]2C)s1 ZINC000111269625 186383879 /nfs/dbraw/zinc/38/38/79/186383879.db2.gz QNSJRDDFCREXPR-ZMLRMANQSA-N 1 0 266.410 2.431 10 0 CEAERO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000111268479 186383922 /nfs/dbraw/zinc/38/39/22/186383922.db2.gz VLWPUQLPOYPUEY-NHCYSSNCSA-N 1 0 282.334 2.340 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000111268553 186383945 /nfs/dbraw/zinc/38/39/45/186383945.db2.gz NDNBTNNEUHAGLX-GWCFXTLKSA-N 1 0 266.772 2.154 10 0 CEAERO CN(CCc1ccncc1)c1ccccc1CC[NH3+] ZINC000111480591 186422698 /nfs/dbraw/zinc/42/26/98/186422698.db2.gz OWFICUNCGUICPV-UHFFFAOYSA-N 1 0 255.365 2.262 10 0 CEAERO Cc1cc(C)n(-c2c(F)cc(CC[NH3+])cc2F)n1 ZINC000111512580 186425813 /nfs/dbraw/zinc/42/58/13/186425813.db2.gz APNYZXSVWHLZNT-UHFFFAOYSA-N 1 0 251.280 2.269 10 0 CEAERO CC[C@H]([NH3+])Cc1cc(F)c(-n2cccn2)c(F)c1 ZINC000111512261 186426410 /nfs/dbraw/zinc/42/64/10/186426410.db2.gz GGPBERDUXSCSPK-JTQLQIEISA-N 1 0 251.280 2.430 10 0 CEAERO C[C@H]([NH3+])Cc1c(Sc2nccn2C)nc2sccn12 ZINC000111579697 186428310 /nfs/dbraw/zinc/42/83/10/186428310.db2.gz FYJNRNMSTOPRRB-QMMMGPOBSA-N 1 0 293.421 2.170 10 0 CEAERO CCC(CC)N1C(=O)C[C@H]([NH2+]CC2(C)CCCC2)C1=O ZINC000111620535 186432513 /nfs/dbraw/zinc/43/25/13/186432513.db2.gz XSUTVIUTIVMMJP-ZDUSSCGKSA-N 1 0 280.412 2.472 10 0 CEAERO C[C@H](Cc1nc([C@H](C)N2CC[NH2+]CC2)no1)C(C)(C)C ZINC000111656071 186438357 /nfs/dbraw/zinc/43/83/57/186438357.db2.gz OORJDNARWCJTBP-NEPJUHHUSA-N 1 0 280.416 2.261 10 0 CEAERO CCCCNC(=O)[C@@H](C)N1CCCC[C@@H]1C[NH2+]C(C)C ZINC000111702472 186446187 /nfs/dbraw/zinc/44/61/87/186446187.db2.gz QSFRJEJYQMHWIF-HUUCEWRRSA-N 1 0 283.460 2.144 10 0 CEAERO CC(C)[NH2+]C[C@H]1CCCN1c1ncc(Br)cn1 ZINC000111751420 186452496 /nfs/dbraw/zinc/45/24/96/186452496.db2.gz SFHDOWAGTVIVCF-LLVKDONJSA-N 1 0 299.216 2.206 10 0 CEAERO c1ccc2oc(NCCOC3CC[NH2+]CC3)nc2c1 ZINC000111755904 186453597 /nfs/dbraw/zinc/45/35/97/186453597.db2.gz JGOCUVOFENMGFJ-UHFFFAOYSA-N 1 0 261.325 2.008 10 0 CEAERO O=C(CCOC1CC[NH2+]CC1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000111800211 186459178 /nfs/dbraw/zinc/45/91/78/186459178.db2.gz APHLHUAYHCSGRP-ZBFHGGJFSA-N 1 0 294.439 2.326 10 0 CEAERO C[C@H]1CCC[C@@](C[NH3+])(NC(=O)c2ccc3c(c2)OCO3)C1 ZINC000111369995 186407787 /nfs/dbraw/zinc/40/77/87/186407787.db2.gz HXXMKZQYNDASEE-MEDUHNTESA-N 1 0 290.363 2.053 10 0 CEAERO Cc1cc2ncnn2c(N(CC[NH3+])C2CCCCC2)c1 ZINC000111374384 186410120 /nfs/dbraw/zinc/41/01/20/186410120.db2.gz LZJFLEXLJFADOY-UHFFFAOYSA-N 1 0 273.384 2.136 10 0 CEAERO NC(=[NH2+])c1c(Cl)cccc1N1[C@@H]2CC[C@H]1CC(O)C2 ZINC000111388229 186411630 /nfs/dbraw/zinc/41/16/30/186411630.db2.gz OJZKDPDAEKVJNI-ULKQDVFKSA-N 1 0 279.771 2.116 10 0 CEAERO Cc1cccc2nc(CN3C[C@@H]4CCC[N@H+]4C[C@@H]3C)cn21 ZINC000113268586 186566039 /nfs/dbraw/zinc/56/60/39/186566039.db2.gz JDWJUQJEFOQLMH-HOCLYGCPSA-N 1 0 284.407 2.311 10 0 CEAERO C[NH+](C)[C@H]1CCN(Cc2ccc(N)cc2C(F)(F)F)C1 ZINC000114163962 186610208 /nfs/dbraw/zinc/61/02/08/186610208.db2.gz ZQTVYDPNUSCXAP-LBPRGKRZSA-N 1 0 287.329 2.424 10 0 CEAERO CC(C)(C(=O)NC[C@H]1Cc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000119662260 186843297 /nfs/dbraw/zinc/84/32/97/186843297.db2.gz VIAYRRGRIBAWBR-CABCVRRESA-N 1 0 286.419 2.468 10 0 CEAERO CCOC(=O)c1ccc(N2CCC(CC[NH2+]C)CC2)nc1 ZINC000070190206 363052128 /nfs/dbraw/zinc/05/21/28/363052128.db2.gz JSYJNPYAFSSVGD-UHFFFAOYSA-N 1 0 291.395 2.084 10 0 CEAERO CCCc1noc(-c2ccnc(N3CCC[C@@H]([NH3+])C3)c2)n1 ZINC000070458140 363085845 /nfs/dbraw/zinc/08/58/45/363085845.db2.gz VIIFRBCJNXHGKI-GFCCVEGCSA-N 1 0 287.367 2.012 10 0 CEAERO [NH3+][C@@H]1CCCN(c2ccc(-c3cccs3)nn2)C1 ZINC000070458417 363086106 /nfs/dbraw/zinc/08/61/06/363086106.db2.gz SIXVRESPOKOYBH-SNVBAGLBSA-N 1 0 260.366 2.133 10 0 CEAERO COc1ccc(-c2ccc(N3CCC[C@H]([NH3+])C3)nn2)cc1 ZINC000070458409 363086173 /nfs/dbraw/zinc/08/61/73/363086173.db2.gz VKGSLZONWVPGCZ-ZDUSSCGKSA-N 1 0 284.363 2.080 10 0 CEAERO Cc1cc(Cl)cc(C(=O)N2CCC[C@H]2C[NH3+])c1 ZINC000131565458 366065571 /nfs/dbraw/zinc/06/55/71/366065571.db2.gz GOHFZHJQTJVNDV-LBPRGKRZSA-N 1 0 252.745 2.212 10 0 CEAERO CCCc1cc(N2CC[C@@H]([NH3+])C2)nc(-c2ccncc2)n1 ZINC000070455876 363084894 /nfs/dbraw/zinc/08/48/94/363084894.db2.gz IELWYKMCZFGLFI-CYBMUJFWSA-N 1 0 283.379 2.029 10 0 CEAERO CCc1nc(N[C@@H]2CCC[NH2+]C2)cc(-c2cccnc2)n1 ZINC000070456613 363085374 /nfs/dbraw/zinc/08/53/74/363085374.db2.gz JQDGRTGQICEEBJ-CYBMUJFWSA-N 1 0 283.379 2.265 10 0 CEAERO CO[C@H]1CN(CCOc2ccccc2Cl)[C@@](C)(C[NH3+])C1 ZINC000630360009 351711918 /nfs/dbraw/zinc/71/19/18/351711918.db2.gz IEACVQDJNQWETG-IUODEOHRSA-N 1 0 298.814 2.157 10 0 CEAERO CCCc1nc(CN2C[C@H](OC)C[C@]2(C)C[NH3+])cs1 ZINC000630361274 351712006 /nfs/dbraw/zinc/71/20/06/351712006.db2.gz IOCYEPMKBUFWBU-TZMCWYRMSA-N 1 0 283.441 2.034 10 0 CEAERO CO[C@@H]1CN(Cc2c(C)cccc2C)[C@](C)(C[NH3+])C1 ZINC000630361690 351712129 /nfs/dbraw/zinc/71/21/29/351712129.db2.gz VEWBPDCSVNPKHN-HOCLYGCPSA-N 1 0 262.397 2.242 10 0 CEAERO CO[C@H]1CN(Cc2cc(C)cc(C)c2)[C@@](C)(C[NH3+])C1 ZINC000630364815 351712932 /nfs/dbraw/zinc/71/29/32/351712932.db2.gz WCEBKNFAEVKZPC-HZPDHXFCSA-N 1 0 262.397 2.242 10 0 CEAERO CO[C@@H]1CN(C(=O)c2cccc(Cl)c2C)[C@@](C)(C[NH3+])C1 ZINC000630373635 351715289 /nfs/dbraw/zinc/71/52/89/351715289.db2.gz KSRHKACBOBQSJR-XHDPSFHLSA-N 1 0 296.798 2.227 10 0 CEAERO C[C@]12C[NH2+]C[C@@]1(C)CN(c1cnc3ccccc3n1)C2 ZINC000630537799 351777259 /nfs/dbraw/zinc/77/72/59/351777259.db2.gz DVTPBJAPZVZWKM-IYBDPMFKSA-N 1 0 268.364 2.066 10 0 CEAERO COc1cccnc1NCC[C@H]([NH3+])Cc1ccccc1 ZINC000630549871 351780516 /nfs/dbraw/zinc/78/05/16/351780516.db2.gz FAHDCEZVWUUEEN-AWEZNQCLSA-N 1 0 271.364 2.462 10 0 CEAERO C[C@@H]1CN(C(=O)Nc2ccc(F)cc2F)C[C@@H]1C[NH3+] ZINC000630581541 351792166 /nfs/dbraw/zinc/79/21/66/351792166.db2.gz KZXRDFHMNMJVTO-BDAKNGLRSA-N 1 0 269.295 2.023 10 0 CEAERO CCCC[C@H](C[NH3+])Nc1ccc(S(=O)(=O)CC)cc1 ZINC000130541647 187501550 /nfs/dbraw/zinc/50/15/50/187501550.db2.gz ZJVLOTUCSAKUTM-CYBMUJFWSA-N 1 0 284.425 2.410 10 0 CEAERO CCC[C@@H](C(=O)N(CC)CCc1nccs1)[NH+](C)C ZINC000122232077 187021766 /nfs/dbraw/zinc/02/17/66/187021766.db2.gz SMYMJUTXWNVKKC-LBPRGKRZSA-N 1 0 283.441 2.264 10 0 CEAERO Cc1cnn(C[C@H]2C[N@H+](C[C@H]3CC=CCC3)CCO2)c1 ZINC000122366035 187028841 /nfs/dbraw/zinc/02/88/41/187028841.db2.gz ZORPBPIWIGLWOM-JKSUJKDBSA-N 1 0 275.396 2.249 10 0 CEAERO Cc1cnn([C@H]2CCC[N@H+](Cc3cncs3)C2)c1 ZINC000122990038 187064463 /nfs/dbraw/zinc/06/44/63/187064463.db2.gz ISWWABVIMMZVSG-LBPRGKRZSA-N 1 0 262.382 2.485 10 0 CEAERO C[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1F)N1CCOCC1 ZINC000123258273 187080840 /nfs/dbraw/zinc/08/08/40/187080840.db2.gz MJVHUJKKLUABGD-RYUDHWBXSA-N 1 0 284.350 2.336 10 0 CEAERO COCCOc1cccc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000070575746 363097009 /nfs/dbraw/zinc/09/70/09/363097009.db2.gz BHUCMNQZEZJHND-STQMWFEESA-N 1 0 292.379 2.168 10 0 CEAERO [NH3+][C@H]1CCC[C@H](C(=O)Nc2ccccc2-n2ccnc2)C1 ZINC000070574542 363097019 /nfs/dbraw/zinc/09/70/19/363097019.db2.gz FPFNCVGQJAVRBD-STQMWFEESA-N 1 0 284.363 2.328 10 0 CEAERO COc1ccccc1[C@@H](C)[NH2+]C[C@H](C)N1CCOCC1 ZINC000123340472 187086095 /nfs/dbraw/zinc/08/60/95/187086095.db2.gz VFTDWFUKBACKIZ-UONOGXRCSA-N 1 0 278.396 2.067 10 0 CEAERO CC[C@H](C(=O)N1CC[C@H]([NH+](C)C)C1)c1ccc(F)cc1 ZINC000123415695 187090499 /nfs/dbraw/zinc/09/04/99/187090499.db2.gz CEBNYHYLEXWSDP-GJZGRUSLSA-N 1 0 278.371 2.482 10 0 CEAERO CN(C)c1ccccc1NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000070575233 363097290 /nfs/dbraw/zinc/09/72/90/363097290.db2.gz GJLCYAPSURNJMU-NEPJUHHUSA-N 1 0 261.369 2.209 10 0 CEAERO CCc1nccn1[C@@H]1CCC[N@H+](C[C@](C)(O)CC)C1 ZINC000123568632 187099041 /nfs/dbraw/zinc/09/90/41/187099041.db2.gz ONXNSFXNJVEDGE-UKRRQHHQSA-N 1 0 265.401 2.243 10 0 CEAERO CC(C)n1ncnc1C[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000631126292 351977239 /nfs/dbraw/zinc/97/72/39/351977239.db2.gz IIJAOPXAWFHJBD-CLLJXQQHSA-N 1 0 266.389 2.152 10 0 CEAERO C[C@H]([NH3+])c1nc(-c2ccc(Br)s2)n[nH]1 ZINC000070598069 363100437 /nfs/dbraw/zinc/10/04/37/363100437.db2.gz XEFPNIXIOJUDJZ-BYPYZUCNSA-N 1 0 273.159 2.315 10 0 CEAERO C[C@H]([NH2+][C@H]1CCN(C)C1=O)C12CC3CC(CC(C3)C1)C2 ZINC000071183372 363109392 /nfs/dbraw/zinc/10/93/92/363109392.db2.gz XKSLBRPZEOHLHW-INRQWTSDSA-N 1 0 276.424 2.412 10 0 CEAERO [NH3+][C@@H](CO)c1cc(C(F)(F)F)ccc1Br ZINC000072199641 363121281 /nfs/dbraw/zinc/12/12/81/363121281.db2.gz QLKALAKJZYWCAZ-QMMMGPOBSA-N 1 0 284.075 2.460 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000252742655 539897261 /nfs/dbraw/zinc/89/72/61/539897261.db2.gz NLGFTNNWOIGLHK-JKSUJKDBSA-N 1 0 294.826 2.118 10 0 CEAERO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1cc(C)no1 ZINC000252693663 539893329 /nfs/dbraw/zinc/89/33/29/539893329.db2.gz PDECIHNETMOXCZ-KBPBESRZSA-N 1 0 263.385 2.432 10 0 CEAERO CCC[NH2+][C@@H](CCO)CN1CCCc2cc(C)ccc21 ZINC000085921634 535186245 /nfs/dbraw/zinc/18/62/45/535186245.db2.gz QJSDHKVTSDMKMD-INIZCTEOSA-N 1 0 276.424 2.498 10 0 CEAERO CC1=C(C)CN(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000336450732 213318069 /nfs/dbraw/zinc/31/80/69/213318069.db2.gz SMJQIRHUIDDKPO-UONOGXRCSA-N 1 0 265.401 2.221 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1nccs1 ZINC000154175391 188127960 /nfs/dbraw/zinc/12/79/60/188127960.db2.gz QYMMONZXZYWDRN-LLVKDONJSA-N 1 0 282.413 2.385 10 0 CEAERO CCC[C@H](C(=O)NCCc1ccc(Cl)nc1)[NH+](C)C ZINC000154836462 188164650 /nfs/dbraw/zinc/16/46/50/188164650.db2.gz ATOFSJMVAVPZLG-GFCCVEGCSA-N 1 0 283.803 2.124 10 0 CEAERO Cc1ccc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)o1 ZINC000155671931 188220050 /nfs/dbraw/zinc/22/00/50/188220050.db2.gz XSFLCQPBCQGGHZ-JQWIXIFHSA-N 1 0 250.342 2.047 10 0 CEAERO CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000251759887 539990384 /nfs/dbraw/zinc/99/03/84/539990384.db2.gz LVRYTZAHLASOCO-RFGFWPKPSA-N 1 0 252.402 2.446 10 0 CEAERO CCc1nc(CC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cs1 ZINC000155719248 188222706 /nfs/dbraw/zinc/22/27/06/188222706.db2.gz HPAXGHAMFKIUQV-AAEUAGOBSA-N 1 0 295.452 2.093 10 0 CEAERO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1COc2ccccc21 ZINC000158192026 188362550 /nfs/dbraw/zinc/36/25/50/188362550.db2.gz GYRPRMZYSSMHPG-CQSZACIVSA-N 1 0 291.395 2.102 10 0 CEAERO C[C@H]([NH3+])c1ccc(Br)cc1OCCCO ZINC000132050481 366113066 /nfs/dbraw/zinc/11/30/66/366113066.db2.gz BSLSIYITSJPYPE-QMMMGPOBSA-N 1 0 274.158 2.230 10 0 CEAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000271717336 191289192 /nfs/dbraw/zinc/28/91/92/191289192.db2.gz NJRIAYBEDZAZKN-MPKXVKKWSA-N 1 0 282.409 2.173 10 0 CEAERO Cc1occc1CN(C)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000132507375 366149399 /nfs/dbraw/zinc/14/93/99/366149399.db2.gz WIQXFFXOFNXNAQ-SWLSCSKDSA-N 1 0 293.411 2.458 10 0 CEAERO CCOC(=O)CCCC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000132708011 366166290 /nfs/dbraw/zinc/16/62/90/366166290.db2.gz FHAURKJJQTUESD-UHFFFAOYSA-N 1 0 279.384 2.323 10 0 CEAERO Cc1cccc2c(CC(=O)N3CC[C@H]([NH+](C)C)C3)c[nH]c21 ZINC000132778058 366170908 /nfs/dbraw/zinc/17/09/08/366170908.db2.gz XWODJMCQGREXFE-AWEZNQCLSA-N 1 0 285.391 2.181 10 0 CEAERO Cc1cc(Cl)ncc1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000133068833 366193021 /nfs/dbraw/zinc/19/30/21/366193021.db2.gz UYRVKLRJOWUANL-SNVBAGLBSA-N 1 0 282.775 2.211 10 0 CEAERO CC(C)(C)OC(=O)N1CC(c2nccs2)=C[C@H]([NH3+])C1 ZINC000675079474 540119505 /nfs/dbraw/zinc/11/95/05/540119505.db2.gz ZLDBMUWOCWCXMS-JTQLQIEISA-N 1 0 281.381 2.105 10 0 CEAERO CCCCNC(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000378885750 540112315 /nfs/dbraw/zinc/11/23/15/540112315.db2.gz LHROCLZCLZUWNE-CABCVRRESA-N 1 0 275.396 2.170 10 0 CEAERO Cc1c(Br)cncc1-c1cnn2c1C[NH2+]CC2 ZINC000675075591 540117190 /nfs/dbraw/zinc/11/71/90/540117190.db2.gz BYGODSSPHBFICI-UHFFFAOYSA-N 1 0 293.168 2.119 10 0 CEAERO Cc1ccc([C@H](C)NC[C@@H](O)C[N@@H+](C)C(C)C)cc1F ZINC000380681581 540134927 /nfs/dbraw/zinc/13/49/27/540134927.db2.gz KAFRZEZHGPNYLM-DZGCQCFKSA-N 1 0 282.403 2.486 10 0 CEAERO CC(C)COC1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261661541 540150160 /nfs/dbraw/zinc/15/01/60/540150160.db2.gz FFIYBVFPNSXNCQ-UKRRQHHQSA-N 1 0 282.428 2.025 10 0 CEAERO COc1cccc2c1CC[C@@H]2NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261729228 540150897 /nfs/dbraw/zinc/15/08/97/540150897.db2.gz KVFOJRNKKXYUBJ-JMSVASOKSA-N 1 0 288.391 2.174 10 0 CEAERO [NH3+]CC1(c2cc(Cl)cc(Cl)c2F)OCCO1 ZINC000575497795 366291887 /nfs/dbraw/zinc/29/18/87/366291887.db2.gz LRYXTMRVIKRHIW-UHFFFAOYSA-N 1 0 266.099 2.291 10 0 CEAERO CO[C@H]1CCC[N@H+](C[C@H](O)COc2cc(C)ccc2C)C1 ZINC000076343437 363538690 /nfs/dbraw/zinc/53/86/90/363538690.db2.gz RWKWBVYSVUMYIP-HOTGVXAUSA-N 1 0 293.407 2.154 10 0 CEAERO CCOc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)NC1CC1 ZINC000134846935 366364217 /nfs/dbraw/zinc/36/42/17/366364217.db2.gz LQNPSJQAIAQDSE-RYUDHWBXSA-N 1 0 276.380 2.403 10 0 CEAERO O[C@H]1CCC[C@H](C[N@@H+]2CCOCC23CCCC3)C1 ZINC000388534046 540327835 /nfs/dbraw/zinc/32/78/35/540327835.db2.gz MLJDURPLNOXZCU-KBPBESRZSA-N 1 0 253.386 2.183 10 0 CEAERO CCOCC[N@@H+]1CCN(Cc2nccs2)C[C@H]1CC ZINC000135050796 366391454 /nfs/dbraw/zinc/39/14/54/366391454.db2.gz VCHJBKUATCNZRV-CYBMUJFWSA-N 1 0 283.441 2.076 10 0 CEAERO Cc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)N(C)C)CC2)o1 ZINC000135359594 366432329 /nfs/dbraw/zinc/43/23/29/366432329.db2.gz WIWGWODQJXDEEH-GFCCVEGCSA-N 1 0 279.384 2.385 10 0 CEAERO C[C@]1(C(=O)Nc2ccc(Cn3cccn3)cc2)CCC[NH2+]1 ZINC000079516047 363612636 /nfs/dbraw/zinc/61/26/36/363612636.db2.gz MDOWJNANFUZSGN-MRXNPFEDSA-N 1 0 284.363 2.012 10 0 CEAERO COc1ccc(OC)c(C[NH2+][C@H]2CCCCC[C@@H]2O)c1 ZINC000135658525 366465259 /nfs/dbraw/zinc/46/52/59/366465259.db2.gz AQQCCMCTTGJTDP-GJZGRUSLSA-N 1 0 279.380 2.487 10 0 CEAERO CCn1nccc1C[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000341452003 215974094 /nfs/dbraw/zinc/97/40/94/215974094.db2.gz GJCGUUOTCORMOV-RYUDHWBXSA-N 1 0 251.374 2.196 10 0 CEAERO COc1c(C[NH2+]CC2C[C@H](C)O[C@@H](C)C2)c(C)nn1C ZINC000341478062 215983437 /nfs/dbraw/zinc/98/34/37/215983437.db2.gz ZOUYYHZLRKKKFA-QWRGUYRKSA-N 1 0 281.400 2.030 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1C(=O)c1cccc2ncccc21 ZINC000061416268 283458844 /nfs/dbraw/zinc/45/88/44/283458844.db2.gz LTLHHEIHFFARST-LBPRGKRZSA-N 1 0 269.348 2.188 10 0 CEAERO CC1CC[NH+](CC(=O)N2CCCC[C@H]2c2cn[nH]c2)CC1 ZINC000137435265 366543071 /nfs/dbraw/zinc/54/30/71/366543071.db2.gz GRZMHECGISUECD-HNNXBMFYSA-N 1 0 290.411 2.195 10 0 CEAERO CC(C)(C)OC(=O)NC[C@H]([NH3+])c1cccc(F)c1 ZINC000147331582 366575432 /nfs/dbraw/zinc/57/54/32/366575432.db2.gz QFUQQBUPPLTVQF-NSHDSACASA-N 1 0 254.305 2.350 10 0 CEAERO Cc1cncc(/C=C/C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000151692878 366658725 /nfs/dbraw/zinc/65/87/25/366658725.db2.gz RADLBONPJNOQPW-NCVJHSOJSA-N 1 0 285.391 2.098 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cnn(C(C)(C)C)c1 ZINC000177040042 189023361 /nfs/dbraw/zinc/02/33/61/189023361.db2.gz CFBGYTUSQOZXTI-CQSZACIVSA-N 1 0 292.427 2.194 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccsc1 ZINC000177366800 189046405 /nfs/dbraw/zinc/04/64/05/189046405.db2.gz UFYAENSJFRPWQU-ZDUSSCGKSA-N 1 0 281.425 2.374 10 0 CEAERO O=C(N1CC[N@@H+]2CCC[C@@H]2C1)C1(Cc2ccccc2)CC1 ZINC000177473073 189053415 /nfs/dbraw/zinc/05/34/15/189053415.db2.gz DVEFBHYGOSIFFK-MRXNPFEDSA-N 1 0 284.403 2.316 10 0 CEAERO C[C@H](NC[C@@H](O)C[NH+]1CCCCC1)c1ccsc1 ZINC000178519735 189122975 /nfs/dbraw/zinc/12/29/75/189122975.db2.gz WELLKGATXMBSOM-GXTWGEPZSA-N 1 0 268.426 2.246 10 0 CEAERO C[C@@H]([NH2+][C@@H](C)CS(C)(=O)=O)c1ccc(Cl)s1 ZINC000081899760 363746245 /nfs/dbraw/zinc/74/62/45/363746245.db2.gz DMFIZMCWCUIMRF-JGVFFNPUSA-N 1 0 281.830 2.485 10 0 CEAERO [NH3+][C@@H]1CC[C@H]2CN(c3cccc(C(F)(F)F)n3)C[C@@H]12 ZINC000261660790 283600989 /nfs/dbraw/zinc/60/09/89/283600989.db2.gz ZCKALGHHUGLNHJ-IVZWLZJFSA-N 1 0 271.286 2.274 10 0 CEAERO CCC[C@H](C(=O)N[C@@H](C)COCc1ccccc1)[NH+](C)C ZINC000179468273 189196446 /nfs/dbraw/zinc/19/64/46/189196446.db2.gz FFVCULVUHKVJLN-GOEBONIOSA-N 1 0 292.423 2.438 10 0 CEAERO [NH3+][C@@H]1CC[C@H]2CN(c3ncccc3Br)C[C@H]12 ZINC000261571986 283602070 /nfs/dbraw/zinc/60/20/70/283602070.db2.gz HXQLPUNPCFLVGA-ATZCPNFKSA-N 1 0 282.185 2.018 10 0 CEAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc(C=O)[nH]1 ZINC000179721705 189215998 /nfs/dbraw/zinc/21/59/98/189215998.db2.gz VZZLKNSVLXIREM-ZDUSSCGKSA-N 1 0 299.374 2.078 10 0 CEAERO CC(C)C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccccn1 ZINC000180597792 189264936 /nfs/dbraw/zinc/26/49/36/189264936.db2.gz QDYPTZIXCHKATH-ZFWWWQNUSA-N 1 0 285.395 2.365 10 0 CEAERO C[C@H]([NH2+]C[C@@H](O)Cn1cccn1)c1ccc(F)c(Cl)c1 ZINC000180738239 189272495 /nfs/dbraw/zinc/27/24/95/189272495.db2.gz FRHKMKXILJCGBG-CMPLNLGQSA-N 1 0 297.761 2.387 10 0 CEAERO CO[C@H](C)CCC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000180852955 189280218 /nfs/dbraw/zinc/28/02/18/189280218.db2.gz UFEJZJZPYVRDFM-UKRRQHHQSA-N 1 0 278.396 2.221 10 0 CEAERO COc1cc([C@@H](C)[NH3+])c(OC)cc1Br ZINC000003705591 361288661 /nfs/dbraw/zinc/28/86/61/361288661.db2.gz JKOMOTQHGDWZAQ-ZCFIWIBFSA-N 1 0 260.131 2.486 10 0 CEAERO Cc1nscc1C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000181065597 189287648 /nfs/dbraw/zinc/28/76/48/189287648.db2.gz ZVESPMNDRVSODB-AWEZNQCLSA-N 1 0 289.404 2.484 10 0 CEAERO CCc1ccnc(C(=O)N(C)C[C@@H]2CCC[N@H+]2CC)c1 ZINC000181914440 189309593 /nfs/dbraw/zinc/30/95/93/189309593.db2.gz WDVVHQOTYMBWCQ-AWEZNQCLSA-N 1 0 275.396 2.200 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccnc(Cl)c1 ZINC000181922126 189309958 /nfs/dbraw/zinc/30/99/58/189309958.db2.gz ULEWMLMJCWDOCI-ZYHUDNBSSA-N 1 0 294.786 2.435 10 0 CEAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1nnsc1Cl ZINC000083704509 363785323 /nfs/dbraw/zinc/78/53/23/363785323.db2.gz NETDVKBSWXVLAA-NXEZZACHSA-N 1 0 286.832 2.250 10 0 CEAERO Cc1cc(Oc2ccc(NC(=O)[C@H]3CCC[NH2+]3)cc2)n[nH]1 ZINC000182491001 189325254 /nfs/dbraw/zinc/32/52/54/189325254.db2.gz WJAGVIYFRJIZPO-CYBMUJFWSA-N 1 0 286.335 2.201 10 0 CEAERO Cc1nccn1C[C@H]1CCC[N@H+]1CCN1CCC(C)CC1 ZINC000154146088 366759218 /nfs/dbraw/zinc/75/92/18/366759218.db2.gz XEOZZTMSSDNCCC-QGZVFWFLSA-N 1 0 290.455 2.388 10 0 CEAERO Cc1cc(NC(=O)[C@H]2CCC[NH2+]2)nn1-c1ccc(C)cc1 ZINC000183049371 189343786 /nfs/dbraw/zinc/34/37/86/189343786.db2.gz JIXJSOMMYVYNCA-CQSZACIVSA-N 1 0 284.363 2.180 10 0 CEAERO CC[C@@H](O)C[NH+]1CCN(CCCc2cccc(F)c2)CC1 ZINC000182814113 189336130 /nfs/dbraw/zinc/33/61/30/189336130.db2.gz NVBASRIKAJYZEB-QGZVFWFLSA-N 1 0 294.414 2.147 10 0 CEAERO CC(C)N(C(=O)[C@H](C)[NH2+][C@H](CO)c1ccccc1)C(C)C ZINC000182903933 189339115 /nfs/dbraw/zinc/33/91/15/189339115.db2.gz NYSLRISDPPCSBA-GOEBONIOSA-N 1 0 292.423 2.344 10 0 CEAERO C[C@H](NC[C@H](O)C[NH+]1CCCCC1)c1cccc(F)c1F ZINC000183232433 189351394 /nfs/dbraw/zinc/35/13/94/189351394.db2.gz RSJABOUEVWIIOV-STQMWFEESA-N 1 0 298.377 2.462 10 0 CEAERO OC[C@H]1CCC[N@@H+]1C[C@@H]1CCCN1c1ncccc1Cl ZINC000301699107 201145865 /nfs/dbraw/zinc/14/58/65/201145865.db2.gz COYIGZOJGQRFKT-QWHCGFSZSA-N 1 0 295.814 2.161 10 0 CEAERO OC[C@@H]1CCC[N@@H+]1C[C@H]1CCCN1c1ncccc1Cl ZINC000301699106 201147240 /nfs/dbraw/zinc/14/72/40/201147240.db2.gz COYIGZOJGQRFKT-OLZOCXBDSA-N 1 0 295.814 2.161 10 0 CEAERO CCc1ccc([C@H]2CC[N@H+](C)C[C@H]2C(=O)OC)cc1 ZINC000013806644 361442232 /nfs/dbraw/zinc/44/22/32/361442232.db2.gz PVNKREHVUHDWNO-HUUCEWRRSA-N 1 0 261.365 2.457 10 0 CEAERO Cc1cccnc1/C=C/C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000183647031 189364878 /nfs/dbraw/zinc/36/48/78/189364878.db2.gz ZBGAOIRROCJRPZ-JSMHICHCSA-N 1 0 285.391 2.098 10 0 CEAERO CCc1ccc([C@H](C)[NH2+]CCN2CCOCC2)cc1 ZINC000019954955 361569959 /nfs/dbraw/zinc/56/99/59/361569959.db2.gz LYAJRMXJNVIXJM-AWEZNQCLSA-N 1 0 262.397 2.232 10 0 CEAERO c1ccc(C[C@@H]2C[NH2+][C@H](Cc3ccccc3)CN2)cc1 ZINC000022924899 361590604 /nfs/dbraw/zinc/59/06/04/361590604.db2.gz MHZXGSQZAQYQPG-QZTJIDSGSA-N 1 0 266.388 2.402 10 0 CEAERO Cc1nc(C)c(CN(C[C@@H]2CCC[NH2+]2)C2CC2)s1 ZINC000301907663 201257631 /nfs/dbraw/zinc/25/76/31/201257631.db2.gz PVLDESKLHKMVIV-LBPRGKRZSA-N 1 0 265.426 2.476 10 0 CEAERO CCOc1cccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000027932463 361663215 /nfs/dbraw/zinc/66/32/15/361663215.db2.gz GVFKIXALQKQEMM-CQSZACIVSA-N 1 0 274.364 2.006 10 0 CEAERO CCSc1cccc(C[NH2+][C@H]2CCc3ncnn3C2)c1 ZINC000185523093 189415796 /nfs/dbraw/zinc/41/57/96/189415796.db2.gz JXPXNCLLXJTBEA-ZDUSSCGKSA-N 1 0 288.420 2.495 10 0 CEAERO CCOc1ccccc1OC[C@@H](O)C[NH2+]CC(C)C ZINC000032115325 361728312 /nfs/dbraw/zinc/72/83/12/361728312.db2.gz BZNJLXYFLDXNEY-ZDUSSCGKSA-N 1 0 267.369 2.071 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000087770111 363869955 /nfs/dbraw/zinc/86/99/55/363869955.db2.gz KSYWWYPYWZQXEV-IHRRRGAJSA-N 1 0 250.386 2.167 10 0 CEAERO CCn1nc(C[NH2+]C[C@H]2CCC[C@H]2O)c2ccccc21 ZINC000089174585 363945922 /nfs/dbraw/zinc/94/59/22/363945922.db2.gz FZGZENJQBVIDHB-MLGOLLRUSA-N 1 0 273.380 2.307 10 0 CEAERO Nc1cccc2c1c(Cl)nn2CC[NH+]1CCCC1 ZINC000089196350 363947885 /nfs/dbraw/zinc/94/78/85/363947885.db2.gz KYAMAASWVYMCOD-UHFFFAOYSA-N 1 0 264.760 2.368 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]CC[C@H](C)[S@](C)=O)c1C ZINC000090513779 364060593 /nfs/dbraw/zinc/06/05/93/364060593.db2.gz FSEUBENAXBVQPO-ZHYXMNDGSA-N 1 0 285.457 2.328 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(Cl)nc1 ZINC000092627404 364090061 /nfs/dbraw/zinc/09/00/61/364090061.db2.gz RRJMRJPSJMAURC-GFCCVEGCSA-N 1 0 281.787 2.291 10 0 CEAERO CCOC(=O)c1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)o1 ZINC000093437660 364181583 /nfs/dbraw/zinc/18/15/83/364181583.db2.gz WDOGPPCXVINPIL-QWHCGFSZSA-N 1 0 292.379 2.125 10 0 CEAERO Cc1oc(-c2ccccc2)nc1CC(=O)N1CCC[C@H]1C[NH3+] ZINC000237648743 370740642 /nfs/dbraw/zinc/74/06/42/370740642.db2.gz FAKIYICZGOHANG-AWEZNQCLSA-N 1 0 299.374 2.142 10 0 CEAERO CCC(CC)[C@@H](CNCc1cnn(C)c1C)[NH+](C)C ZINC000093649371 364208989 /nfs/dbraw/zinc/20/89/89/364208989.db2.gz QEBYIIQFVYJXMU-OAHLLOKOSA-N 1 0 266.433 2.185 10 0 CEAERO O=C(CC[C@H]1CCC[NH2+]1)NC[C@@H]1CCCC12CC2 ZINC000638794204 370756365 /nfs/dbraw/zinc/75/63/65/370756365.db2.gz BJNHJLAMQJWMAB-QWHCGFSZSA-N 1 0 250.386 2.215 10 0 CEAERO CCc1ccc(O)c(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000094139730 364253573 /nfs/dbraw/zinc/25/35/73/364253573.db2.gz CZJLZEXCUXBXAI-GXTWGEPZSA-N 1 0 288.391 2.263 10 0 CEAERO [NH3+][C@H]1CCC[C@H](C(=O)NCc2ccccc2-n2cccn2)C1 ZINC000238043394 370766774 /nfs/dbraw/zinc/76/67/74/370766774.db2.gz FAVFBSPDBWCWKZ-ZFWWWQNUSA-N 1 0 298.390 2.006 10 0 CEAERO CN(c1cccc(Br)n1)C1CC[NH2+]CC1 ZINC000095070633 364331050 /nfs/dbraw/zinc/33/10/50/364331050.db2.gz MYSGJZBLOMNDIG-UHFFFAOYSA-N 1 0 270.174 2.032 10 0 CEAERO CNc1nc2ccccc2nc1OC[C@@H]1CCC[NH2+]C1 ZINC000095071406 364331296 /nfs/dbraw/zinc/33/12/96/364331296.db2.gz VULIDRAQUCOEER-LLVKDONJSA-N 1 0 272.352 2.050 10 0 CEAERO O=[S@](C[C@H]1CC[NH2+]C1)c1nc2ccccc2s1 ZINC000095073687 364333608 /nfs/dbraw/zinc/33/36/08/364333608.db2.gz DVHQKWYZCJYFQT-XYZCENFISA-N 1 0 266.391 2.013 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1c(F)c(F)nc(F)c1F ZINC000094628676 364284085 /nfs/dbraw/zinc/28/40/85/364284085.db2.gz LKBSWXJEEVUACI-HTQZYQBOSA-N 1 0 289.276 2.311 10 0 CEAERO CCS(=O)(=O)c1ccccc1N[C@@H](C)CCC[NH3+] ZINC000094948014 364313265 /nfs/dbraw/zinc/31/32/65/364313265.db2.gz APSIUBNMXMQPLB-NSHDSACASA-N 1 0 270.398 2.020 10 0 CEAERO CCc1ccc(CN(C)C(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000097093183 364446285 /nfs/dbraw/zinc/44/62/85/364446285.db2.gz ZNTRPDMCEGWLSK-CABCVRRESA-N 1 0 260.381 2.335 10 0 CEAERO [NH3+]Cc1c(Cl)cccc1I ZINC000098096516 364531245 /nfs/dbraw/zinc/53/12/45/364531245.db2.gz YNIBAKRJOUNDQQ-UHFFFAOYSA-N 1 0 267.497 2.403 10 0 CEAERO Cc1nc(N(C)C2CC([NH3+])C2)ccc1Br ZINC000335661414 212380725 /nfs/dbraw/zinc/38/07/25/212380725.db2.gz RICSSVVSRILHDP-UHFFFAOYSA-N 1 0 270.174 2.078 10 0 CEAERO CC(C)[C@@H](C)NC(=O)NCCC1CC[NH+](C)CC1 ZINC000103297545 364640961 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CCC[C@@H](C(=O)N[C@@H](C)c1nc(C(C)(C)C)no1)[NH+](C)C ZINC000162353626 367154765 /nfs/dbraw/zinc/15/47/65/367154765.db2.gz YRVKFZDSXJKIAT-QWRGUYRKSA-N 1 0 296.415 2.275 10 0 CEAERO C[C@H](Oc1cccc(Cl)c1)C(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638891216 370823895 /nfs/dbraw/zinc/82/38/95/370823895.db2.gz ZGMWMPUYXUPFPN-SDDRHHMPSA-N 1 0 296.798 2.161 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C(=O)OC)c1ccccc1 ZINC000245474056 370826717 /nfs/dbraw/zinc/82/67/17/370826717.db2.gz QMGVLZQJJYUDNQ-HZPDHXFCSA-N 1 0 290.407 2.317 10 0 CEAERO Cc1csc(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)c1Cl ZINC000638898356 370828412 /nfs/dbraw/zinc/82/84/12/370828412.db2.gz KYSRJMWDMOCTOB-IONNQARKSA-N 1 0 272.801 2.377 10 0 CEAERO CC(C)C[C@@H]1CCN(C(=O)Cc2ccccc2)C[C@H]1[NH3+] ZINC000616568714 367231908 /nfs/dbraw/zinc/23/19/08/367231908.db2.gz CRURLBXTGPPZSG-JKSUJKDBSA-N 1 0 274.408 2.451 10 0 CEAERO CC(C)n1cc([C@H](C)N[C@@H]2CCCn3ncnc32)cn1 ZINC000164789163 367296899 /nfs/dbraw/zinc/29/68/99/367296899.db2.gz VSYMINKSBLUEIP-WCQYABFASA-N 1 0 274.372 2.241 10 0 CEAERO Cc1ccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1C ZINC000171068093 367469794 /nfs/dbraw/zinc/46/97/94/367469794.db2.gz RNLZDGMJOIYHPU-CQSZACIVSA-N 1 0 261.369 2.471 10 0 CEAERO CCOCc1cccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000171084034 367474456 /nfs/dbraw/zinc/47/44/56/367474456.db2.gz AUBPLPPPXFRCJC-OAHLLOKOSA-N 1 0 291.395 2.391 10 0 CEAERO Cc1cc(F)ccc1C[N@@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000245713038 370861938 /nfs/dbraw/zinc/86/19/38/370861938.db2.gz GIBUDWHDYJLRCR-YOEHRIQHSA-N 1 0 292.398 2.287 10 0 CEAERO Cc1cc(C)c(CNC(=O)N2CC[C@H]([NH+](C)C)C2)c(C)c1 ZINC000170835162 367429309 /nfs/dbraw/zinc/42/93/09/367429309.db2.gz UEGADPMOIAKBDE-HNNXBMFYSA-N 1 0 289.423 2.457 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)CCCOc2ccccc2)C1 ZINC000170862384 367434070 /nfs/dbraw/zinc/43/40/70/367434070.db2.gz BKKMRAVRODZQCH-CQSZACIVSA-N 1 0 276.380 2.008 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)Cc2ccccc2Cl)C1 ZINC000170861530 367434474 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C[C@H]1CN(Cc2ncc(-c3ccccc3)o2)C[C@H]1C[NH3+] ZINC000631839227 367579510 /nfs/dbraw/zinc/57/95/10/367579510.db2.gz CCXJLSBKJLWIIE-GXTWGEPZSA-N 1 0 271.364 2.368 10 0 CEAERO Cc1ccc(NC(=O)CN2C[C@H](C)[C@@H](C[NH3+])C2)cc1Cl ZINC000631843313 367586228 /nfs/dbraw/zinc/58/62/28/367586228.db2.gz MDXHFQHNBKVGIU-RYUDHWBXSA-N 1 0 295.814 2.114 10 0 CEAERO CCC1CCC(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000171903139 367635759 /nfs/dbraw/zinc/63/57/59/367635759.db2.gz ZRUCXCWPZFNLBV-YMAMQOFZSA-N 1 0 279.428 2.445 10 0 CEAERO C[NH+](C)C[C@H]1CN(C(=O)c2cccc(C(F)F)c2)CCO1 ZINC000172307229 367715114 /nfs/dbraw/zinc/71/51/14/367715114.db2.gz VUHJSHZGJHQZKV-ZDUSSCGKSA-N 1 0 298.333 2.027 10 0 CEAERO C[C@@H]([NH2+][C@H](C)c1cccs1)C(=O)NC(=O)NC(C)(C)C ZINC000172604065 367786498 /nfs/dbraw/zinc/78/64/98/367786498.db2.gz RCKLJZINDZTKNR-NXEZZACHSA-N 1 0 297.424 2.412 10 0 CEAERO Cc1ccc(CN2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)cc1C ZINC000245807183 370874867 /nfs/dbraw/zinc/87/48/67/370874867.db2.gz 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ZINC000282333154 375459602 /nfs/dbraw/zinc/45/96/02/375459602.db2.gz OFIHYWBRKDMMET-UHIISALHSA-N 1 0 264.344 2.013 10 0 CEAERO C[C@@H]1C[C@@H](C[NH2+]Cc2cccc(C(N)=O)c2)C[C@H](C)O1 ZINC000282389454 375473129 /nfs/dbraw/zinc/47/31/29/375473129.db2.gz XVLQZZRWOZYGQY-DABQJJPHSA-N 1 0 276.380 2.079 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)c1ccc(F)cc1 ZINC000282208551 375429861 /nfs/dbraw/zinc/42/98/61/375429861.db2.gz DDMQESCONDHJRO-OUJBWJOFSA-N 1 0 250.317 2.143 10 0 CEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000282247153 375438826 /nfs/dbraw/zinc/43/88/26/375438826.db2.gz GKPPJDGVGMQLKK-CABZTGNLSA-N 1 0 268.307 2.381 10 0 CEAERO COc1ccc(Cl)cc1C[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000282524225 375506380 /nfs/dbraw/zinc/50/63/80/375506380.db2.gz YMFBWTVSYNFLME-JOYOIKCWSA-N 1 0 282.771 2.105 10 0 CEAERO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2CCc3ncnn3C2)o1 ZINC000262435640 190054826 /nfs/dbraw/zinc/05/48/26/190054826.db2.gz UHSOPKMTLJJKOL-MDZLAQPJSA-N 1 0 272.352 2.099 10 0 CEAERO C[C@H]1C[NH2+][C@@]2(CCN(C(=O)OC(C)(C)C)C2)SC1 ZINC000306628016 376551142 /nfs/dbraw/zinc/55/11/42/376551142.db2.gz ZZCXFJLEHWYDGO-GWCFXTLKSA-N 1 0 272.414 2.296 10 0 CEAERO C[C@@H]1[C@H](N2CCCNC2=O)CC[N@@H+]1Cc1ccccc1 ZINC000306716664 376553975 /nfs/dbraw/zinc/55/39/75/376553975.db2.gz BRZFYBHZSWVLAT-UKRRQHHQSA-N 1 0 273.380 2.065 10 0 CEAERO [NH3+][C@@H]1CCO[C@@H]1c1cc(F)cc(Br)c1 ZINC000306187300 376542950 /nfs/dbraw/zinc/54/29/50/376542950.db2.gz BTPYJGPGLPEECA-NXEZZACHSA-N 1 0 260.106 2.377 10 0 CEAERO [NH3+]Cc1ccc2cccc(I)c2n1 ZINC000306184242 376543202 /nfs/dbraw/zinc/54/32/02/376543202.db2.gz DMNBOZGJHUISTF-UHFFFAOYSA-N 1 0 284.100 2.298 10 0 CEAERO CCc1nc(C)cc(N(C)CC[C@H]([NH3+])C(C)C)n1 ZINC000310641407 376630639 /nfs/dbraw/zinc/63/06/39/376630639.db2.gz CINTVSXYFVJJDT-LBPRGKRZSA-N 1 0 250.390 2.157 10 0 CEAERO O=C(NCc1c(Cl)cccc1Cl)[C@H]1C[C@H](F)C[NH2+]1 ZINC000563155194 377109103 /nfs/dbraw/zinc/10/91/03/377109103.db2.gz YPUFCWDKRCWEFX-WRWORJQWSA-N 1 0 291.153 2.310 10 0 CEAERO C[C@@H]1CN(Cc2cccc(Br)n2)C[C@@H]1[NH+](C)C ZINC000293367460 377539772 /nfs/dbraw/zinc/53/97/72/377539772.db2.gz YVEHRQNGEWDAME-PWSUYJOCSA-N 1 0 298.228 2.226 10 0 CEAERO C[C@@H](C[NH2+][C@@H]1CCn2ccnc21)N(C)C(=O)OC(C)(C)C ZINC000293878122 377801736 /nfs/dbraw/zinc/80/17/36/377801736.db2.gz FIZDZBLIYAXYSS-NWDGAFQWSA-N 1 0 294.399 2.173 10 0 CEAERO C[C@@](O)(C[N@@H+]1CC[C@H](O)CC(C)(C)C1)c1ccccc1 ZINC000295628845 378242933 /nfs/dbraw/zinc/24/29/33/378242933.db2.gz ZUTMAUHVGLWCBA-DOTOQJQBSA-N 1 0 277.408 2.377 10 0 CEAERO C[C@@](O)(C[N@@H+]1CC[C@@H](O)CC(C)(C)C1)c1ccccc1 ZINC000295628846 378243472 /nfs/dbraw/zinc/24/34/72/378243472.db2.gz ZUTMAUHVGLWCBA-NVXWUHKLSA-N 1 0 277.408 2.377 10 0 CEAERO CN1CC[C@@H](Nc2cc[nH+]c3cc(F)ccc23)C1=O ZINC000301351137 379263667 /nfs/dbraw/zinc/26/36/67/379263667.db2.gz JACUUJDUIHFXLN-GFCCVEGCSA-N 1 0 259.284 2.017 10 0 CEAERO CCCCOCC[NH2+][C@@H]1C[C@@H](OCC)C12CCOCC2 ZINC000186295173 183638107 /nfs/dbraw/zinc/63/81/07/183638107.db2.gz JNXCNBNCNWSJAR-HUUCEWRRSA-N 1 0 285.428 2.367 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(C)cn1 ZINC000334357992 380298032 /nfs/dbraw/zinc/29/80/32/380298032.db2.gz RLOWQFQPTOANCW-HOTGVXAUSA-N 1 0 259.397 2.449 10 0 CEAERO O=C(/C=C\c1cccc(O)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000492485781 380574210 /nfs/dbraw/zinc/57/42/10/380574210.db2.gz DTARSGWWAMCZBC-LZNQSLFOSA-N 1 0 286.375 2.102 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)/C=C\c1cccc(O)c1 ZINC000492704301 380661794 /nfs/dbraw/zinc/66/17/94/380661794.db2.gz LWNUGIJPTDSGEY-KVPUOBJLSA-N 1 0 288.391 2.348 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)/C=C\c2cccc(O)c2)C1 ZINC000492740430 380673609 /nfs/dbraw/zinc/67/36/09/380673609.db2.gz UMQRXVCGRJFQBT-XURSXEJRSA-N 1 0 288.391 2.250 10 0 CEAERO C[C@H]([NH2+]CC(=O)N(C)C1CCC(C)CC1)[C@@H]1CCCO1 ZINC000183119013 542287451 /nfs/dbraw/zinc/28/74/51/542287451.db2.gz CFYYTAOQEHWIPP-SHWKFHJASA-N 1 0 282.428 2.181 10 0 CEAERO CNC(=O)[C@H]([NH2+]CCSc1ccccc1)C(C)C ZINC000183686331 542293601 /nfs/dbraw/zinc/29/36/01/542293601.db2.gz PERREMOORVTBPW-CYBMUJFWSA-N 1 0 266.410 2.139 10 0 CEAERO C[C@H](NC(=O)N(C)CCC[NH+](C)C)c1cccs1 ZINC000185242148 542303953 /nfs/dbraw/zinc/30/39/53/542303953.db2.gz ILZGDUNXDPEUKU-NSHDSACASA-N 1 0 269.414 2.402 10 0 CEAERO Cn1c2ccccc2nc1C[N@@H+]1CCC[C@@H]1Cn1ccnc1 ZINC000188401081 542321688 /nfs/dbraw/zinc/32/16/88/542321688.db2.gz MWCUTXFHJNOZAA-CQSZACIVSA-N 1 0 295.390 2.434 10 0 CEAERO C[C@H]1CN(c2ccccc2F)CC[N@@H+]1CC(C)(C)O ZINC000191617256 542343017 /nfs/dbraw/zinc/34/30/17/542343017.db2.gz JPMRZGGGYKLDCZ-LBPRGKRZSA-N 1 0 266.360 2.107 10 0 CEAERO CC[C@H](C)N(CC)c1nc2c(cc1C(N)=[NH2+])CCC2 ZINC000043406534 184558695 /nfs/dbraw/zinc/55/86/95/184558695.db2.gz ZECWLFWLUDMUSS-JTQLQIEISA-N 1 0 260.385 2.479 10 0 CEAERO COc1ccc([C@H](C)[NH2+][C@@H](C)C(OC)OC)c(F)c1 ZINC000079604542 184595162 /nfs/dbraw/zinc/59/51/62/184595162.db2.gz OYVDJTAZLILWRD-UWVGGRQHSA-N 1 0 271.332 2.492 10 0 CEAERO COc1ccc(S[C@H]2CC3(CC[C@@H]2[NH3+])OCCO3)cc1 ZINC000081863877 184598141 /nfs/dbraw/zinc/59/81/41/184598141.db2.gz TYBIYRFXMMLMHP-KBPBESRZSA-N 1 0 295.404 2.410 10 0 CEAERO [NH3+]CCC[C@@H](C(=O)NC1CC1)c1cccc(Cl)c1 ZINC000076703894 184590413 /nfs/dbraw/zinc/59/04/13/184590413.db2.gz XETQTVGLNKMZSA-CYBMUJFWSA-N 1 0 266.772 2.441 10 0 CEAERO CCCCCNC(=O)[C@H](C)OC(CC)(CC)C[NH3+] ZINC000086710603 184609829 /nfs/dbraw/zinc/60/98/29/184609829.db2.gz OPMYLTOYRJDYDE-LBPRGKRZSA-N 1 0 258.406 2.215 10 0 CEAERO C[C@H](OC1(C[NH3+])CCCC1)C(=O)Nc1ccccc1 ZINC000086710755 184610122 /nfs/dbraw/zinc/61/01/22/184610122.db2.gz PFQYDTHLXJSFLR-LBPRGKRZSA-N 1 0 262.353 2.302 10 0 CEAERO CCCCNC(=O)[C@H](C)OC1(C[NH3+])CCCCCC1 ZINC000086724545 184610217 /nfs/dbraw/zinc/61/02/17/184610217.db2.gz NCGMGMZGLYPIRG-ZDUSSCGKSA-N 1 0 270.417 2.360 10 0 CEAERO COc1ccccc1NC(=O)COC1(C[NH3+])CCCCC1 ZINC000086711217 184610269 /nfs/dbraw/zinc/61/02/69/184610269.db2.gz BULUUNIVNNTTPS-UHFFFAOYSA-N 1 0 292.379 2.312 10 0 CEAERO Fc1ccc(Br)cc1N[C@@H]1CC[NH2+]C1 ZINC000086726532 184610393 /nfs/dbraw/zinc/61/03/93/184610393.db2.gz YXMFDBYKAQRXCZ-MRVPVSSYSA-N 1 0 259.122 2.362 10 0 CEAERO Cc1cc(NC(=O)CC(C)(C)[NH3+])ncc1Br ZINC000086716325 184610594 /nfs/dbraw/zinc/61/05/94/184610594.db2.gz GVIQKBNQPUNSTH-UHFFFAOYSA-N 1 0 286.173 2.218 10 0 CEAERO CCN(CC)C(=O)[C@@H](C)OC1(C[NH3+])CCCCCC1 ZINC000086724807 184610752 /nfs/dbraw/zinc/61/07/52/184610752.db2.gz YKJABZINQOUHGB-CYBMUJFWSA-N 1 0 270.417 2.312 10 0 CEAERO CC[C@@H](C)CN(C)S(=O)(=O)CCCC[NH2+]C(C)C ZINC000088953785 184615580 /nfs/dbraw/zinc/61/55/80/184615580.db2.gz OTENIWJNLKEJQM-CYBMUJFWSA-N 1 0 278.462 2.072 10 0 CEAERO O=C(CC[NH2+]C[C@@H]1CSc2ccccc21)NC1CC1 ZINC000092987883 184641242 /nfs/dbraw/zinc/64/12/42/184641242.db2.gz CIKPYCZADOPZPG-LLVKDONJSA-N 1 0 276.405 2.134 10 0 CEAERO C[NH2+]Cc1sc(N(C)[C@@H](C)COC)nc1C(C)C ZINC000092999845 184641680 /nfs/dbraw/zinc/64/16/80/184641680.db2.gz UFCGLABQJRFUDD-JTQLQIEISA-N 1 0 271.430 2.457 10 0 CEAERO COCC[NH2+]C[C@@H]1CCCO[C@@H]1c1ccc2c(c1)CCO2 ZINC000092888256 184633605 /nfs/dbraw/zinc/63/36/05/184633605.db2.gz KUBMOMBURPZFOT-DOTOQJQBSA-N 1 0 291.391 2.325 10 0 CEAERO C[C@H](NC(=O)[C@H]1CC[NH2+][C@@H]1C)c1cccc(F)c1 ZINC000092955727 184637379 /nfs/dbraw/zinc/63/73/79/184637379.db2.gz ZTPFZOUSMKDGLV-CWSCBRNRSA-N 1 0 250.317 2.001 10 0 CEAERO CC[NH2+]C[C@@H](c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000093125354 184650669 /nfs/dbraw/zinc/65/06/69/184650669.db2.gz RCUNTYGNLRNKKX-GJZGRUSLSA-N 1 0 281.421 2.123 10 0 CEAERO Cc1cccc([C@@H]2C[NH2+]CC[C@]23CCCS(=O)(=O)C3)c1 ZINC000093143299 184651201 /nfs/dbraw/zinc/65/12/01/184651201.db2.gz YRAWDHNLHVTHGV-HOTGVXAUSA-N 1 0 293.432 2.267 10 0 CEAERO O=S1(=O)CCC2(CC[NH2+]C[C@H]2c2cccc(F)c2)CC1 ZINC000093174135 184652735 /nfs/dbraw/zinc/65/27/35/184652735.db2.gz WWHJWRFWWOVGNX-AWEZNQCLSA-N 1 0 297.395 2.098 10 0 CEAERO Cc1c(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)ccn1C ZINC000194992991 542363804 /nfs/dbraw/zinc/36/38/04/542363804.db2.gz LDYHHDWQRSWAFA-INIZCTEOSA-N 1 0 285.391 2.366 10 0 CEAERO Cc1cn[nH]c1C[NH2+][C@@H](C)COCc1ccccc1 ZINC000289411543 197334551 /nfs/dbraw/zinc/33/45/51/197334551.db2.gz BMGOHGHTEPSYNV-ZDUSSCGKSA-N 1 0 259.353 2.413 10 0 CEAERO CCc1nnc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2CC)s1 ZINC000392153269 542374882 /nfs/dbraw/zinc/37/48/82/542374882.db2.gz ZREHTNMDDYJUGH-NEPJUHHUSA-N 1 0 280.441 2.159 10 0 CEAERO C[C@H](COCc1ccccc1)[NH2+]Cc1cn(C)cn1 ZINC000390548420 542374037 /nfs/dbraw/zinc/37/40/37/542374037.db2.gz AFYISBKLNGQMBO-CYBMUJFWSA-N 1 0 259.353 2.115 10 0 CEAERO O=c1ccc2c([nH]1)CC[C@H]([NH2+]Cc1ccc(F)cc1)C2 ZINC000096067516 285222447 /nfs/dbraw/zinc/22/24/47/285222447.db2.gz ZLUAPSHEKUJMFE-AWEZNQCLSA-N 1 0 272.323 2.161 10 0 CEAERO C[C@H](C[C@@H]1CCCC[NH2+]1)NCc1cccc2c1OCO2 ZINC000093486463 184683039 /nfs/dbraw/zinc/68/30/39/184683039.db2.gz LKGCTUXIQQAQCE-OCCSQVGLSA-N 1 0 276.380 2.426 10 0 CEAERO C[C@@H](C[C@H]1CCCCC[NH2+]1)Nc1ccc(CC(N)=O)cc1 ZINC000093515325 184686441 /nfs/dbraw/zinc/68/64/41/184686441.db2.gz UJQMEXRXOGVBOM-XJKSGUPXSA-N 1 0 289.423 2.437 10 0 CEAERO CC(C)N1C(=[NH2+])NC[C@H]1c1ccc(OC(F)F)cc1 ZINC000093374307 184668092 /nfs/dbraw/zinc/66/80/92/184668092.db2.gz JGZOHEDYWXUUIZ-NSHDSACASA-N 1 0 269.295 2.368 10 0 CEAERO COc1ccc([C@@H]2CNC(=[NH2+])N2C2CCCC2)cc1O ZINC000093391740 184670206 /nfs/dbraw/zinc/67/02/06/184670206.db2.gz PPHHFOBNEOGTTR-LBPRGKRZSA-N 1 0 275.352 2.015 10 0 CEAERO CC(C)n1cncc1[C@@H]1CNC(=[NH2+])N1C1CCCC1 ZINC000093391930 184670296 /nfs/dbraw/zinc/67/02/96/184670296.db2.gz WIIPKZSCULVPGS-ZDUSSCGKSA-N 1 0 261.373 2.078 10 0 CEAERO C[C@@H](NC(=O)C1CCC(C[NH3+])CC1)c1ccccn1 ZINC000093424843 184673178 /nfs/dbraw/zinc/67/31/78/184673178.db2.gz MVTBNZXAOHVPEC-PNESKVBLSA-N 1 0 261.369 2.024 10 0 CEAERO C[C@@H](O)c1ccccc1NC(=O)C1CCC(C[NH3+])CC1 ZINC000093425653 184674270 /nfs/dbraw/zinc/67/42/70/184674270.db2.gz JVNILTHRQIMLLK-PNESKVBLSA-N 1 0 276.380 2.444 10 0 CEAERO C[C@H](C[C@H]1CCC[NH2+]1)Nc1cccc(NS(C)(=O)=O)c1 ZINC000093462882 184678117 /nfs/dbraw/zinc/67/81/17/184678117.db2.gz PETDIIGQXKOECQ-VXGBXAGGSA-N 1 0 297.424 2.001 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)C(=O)N1CCCCCC1 ZINC000177713911 285274726 /nfs/dbraw/zinc/27/47/26/285274726.db2.gz IHWWLASPJNBARJ-HOTGVXAUSA-N 1 0 295.471 2.194 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2OC[C@H]1S(=O)(=O)[C@@H](C)CC ZINC000081938003 177903422 /nfs/dbraw/zinc/90/34/22/177903422.db2.gz UWBXZURSZWHMSY-GLQYFDAESA-N 1 0 297.420 2.312 10 0 CEAERO Cc1ccc([C@H]([NH3+])[C@@H](C)S(=O)(=O)CC(C)C)cc1 ZINC000081928436 177900066 /nfs/dbraw/zinc/90/00/66/177900066.db2.gz PIKQJSVCUADOMY-TZMCWYRMSA-N 1 0 269.410 2.454 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2OC[C@@H]1S(=O)(=O)CC(C)C ZINC000081929466 177900171 /nfs/dbraw/zinc/90/01/71/177900171.db2.gz CEBWHIGOBZZCMY-GJZGRUSLSA-N 1 0 297.420 2.169 10 0 CEAERO CCC[C@H](CS(=O)(=O)Cc1ccccc1)[NH2+]CC ZINC000081923796 177897851 /nfs/dbraw/zinc/89/78/51/177897851.db2.gz OHSGQUGGAIARPM-CQSZACIVSA-N 1 0 269.410 2.380 10 0 CEAERO COc1ccccc1[C@H]([NH3+])CSc1ccncn1 ZINC000081886773 177878382 /nfs/dbraw/zinc/87/83/82/177878382.db2.gz JMSWMSAXKLOHRO-LLVKDONJSA-N 1 0 261.350 2.277 10 0 CEAERO CCC(C)(C)[C@H]1CC[C@H]([NH3+])[C@H](Sc2n[nH]c(=O)n2C)C1 ZINC000081880766 177875401 /nfs/dbraw/zinc/87/54/01/177875401.db2.gz CXKSMFYSNFFVLZ-GARJFASQSA-N 1 0 298.456 2.133 10 0 CEAERO CCC[NH2+][C@H](CCC)CSc1n[nH]c(=O)n1CCC ZINC000081879265 177872576 /nfs/dbraw/zinc/87/25/76/177872576.db2.gz LJYMSBMXAUZSIB-LLVKDONJSA-N 1 0 286.445 2.242 10 0 CEAERO CCC[C@@H]1CC[C@@H]([NH2+]C)[C@H](SCC(=O)OC)C1 ZINC000081792125 177860489 /nfs/dbraw/zinc/86/04/89/177860489.db2.gz SEIQBMYZBIKQPP-IJLUTSLNSA-N 1 0 259.415 2.449 10 0 CEAERO CN(C)c1nnc(SC[C@H]([NH3+])C(C)(C)C)s1 ZINC000081769291 177856807 /nfs/dbraw/zinc/85/68/07/177856807.db2.gz VASRVYPLJXNINS-ZETCQYMHSA-N 1 0 260.432 2.070 10 0 CEAERO COCCSC[C@@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000081777776 177858234 /nfs/dbraw/zinc/85/82/34/177858234.db2.gz YXZXGVPPPBJKFC-GFCCVEGCSA-N 1 0 283.393 2.227 10 0 CEAERO CC[NH2+][C@H]1CCCCC[C@@H]1Sc1nnnn1C1CC1 ZINC000081867715 177868227 /nfs/dbraw/zinc/86/82/27/177868227.db2.gz PNWQYGIIBNCZDV-RYUDHWBXSA-N 1 0 281.429 2.411 10 0 CEAERO C[NH2+][C@H]1CCC(C)(C)C[C@@H]1Sc1nncn1C ZINC000081867102 177867163 /nfs/dbraw/zinc/86/71/63/177867163.db2.gz PECXRVYUCQGHNZ-UWVGGRQHSA-N 1 0 254.403 2.074 10 0 CEAERO CC[NH2+][C@H]1CCC[C@@H]1Sc1nnnn1C1CCCC1 ZINC000081866633 177866361 /nfs/dbraw/zinc/86/63/61/177866361.db2.gz GHGJWYZFCBVQLL-RYUDHWBXSA-N 1 0 281.429 2.411 10 0 CEAERO CCOC(=O)CSC[C@@H]([NH2+]C)c1ccccc1 ZINC000081795991 177861960 /nfs/dbraw/zinc/86/19/60/177861960.db2.gz XMBGJWPPHPXPNM-GFCCVEGCSA-N 1 0 253.367 2.243 10 0 CEAERO CCCCS[C@@H]1CC2(CC[C@H]1[NH2+]C)OCCO2 ZINC000081770630 177856533 /nfs/dbraw/zinc/85/65/33/177856533.db2.gz FHWHMQKXXYFACH-VXGBXAGGSA-N 1 0 259.415 2.403 10 0 CEAERO C[C@H](C[NH2+]C[C@H]1CCCO1)Oc1cncc(Cl)c1 ZINC000081703040 177841236 /nfs/dbraw/zinc/84/12/36/177841236.db2.gz NJSIFBGXFDEISJ-ZYHUDNBSSA-N 1 0 270.760 2.271 10 0 CEAERO C[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])[C@@H]1C ZINC000089449447 296439814 /nfs/dbraw/zinc/43/98/14/296439814.db2.gz GHLWHHJRVPQBSE-DHGKCCLASA-N 1 0 252.402 2.302 10 0 CEAERO CCOC(=O)C[C@@H]([C@@H]1CCCOC1)[NH+]1CCCCC1 ZINC000080691969 177692708 /nfs/dbraw/zinc/69/27/08/177692708.db2.gz QCVIOWFDPXJEPQ-KGLIPLIRSA-N 1 0 269.385 2.221 10 0 CEAERO CCOC(=O)C[C@@](C)(CCOC)[NH+]1CCCCC1 ZINC000080691876 177692308 /nfs/dbraw/zinc/69/23/08/177692308.db2.gz NEVGITYVCYRYKY-CQSZACIVSA-N 1 0 257.374 2.221 10 0 CEAERO CC(C)NC(=O)[C@@H](C[NH3+])Cc1cccc2c1OC(C)(C)C2 ZINC000080506890 177659369 /nfs/dbraw/zinc/65/93/69/177659369.db2.gz KHJLQPOVGSIGSF-CQSZACIVSA-N 1 0 290.407 2.042 10 0 CEAERO CC[C@@H]1CC[C@](C[NH3+])(N2CCN(CC(F)(F)F)CC2)C1 ZINC000080462075 177654653 /nfs/dbraw/zinc/65/46/53/177654653.db2.gz QQGVVPQADOZGMT-OLZOCXBDSA-N 1 0 293.377 2.074 10 0 CEAERO [NH3+]Cc1cccc2c1ccn2CC(=O)N1CCCCC1 ZINC000080335405 177643413 /nfs/dbraw/zinc/64/34/13/177643413.db2.gz ANMZIXJETHFOKB-UHFFFAOYSA-N 1 0 271.364 2.113 10 0 CEAERO NC(=S)C[N@H+](CCc1ccncc1)C1CCCC1 ZINC000080223415 177628130 /nfs/dbraw/zinc/62/81/30/177628130.db2.gz CUUMTYRMDNMODK-UHFFFAOYSA-N 1 0 263.410 2.155 10 0 CEAERO C[NH2+][C@]1(CO)CCC[C@H]1CCn1cnc2ccccc21 ZINC000093618727 184696640 /nfs/dbraw/zinc/69/66/40/184696640.db2.gz CUUNPVGENMXMJR-BBRMVZONSA-N 1 0 273.380 2.177 10 0 CEAERO CC(C)[NH2+][C@]1(CO)CCC[C@@H]1CCn1cc(Cl)cn1 ZINC000093618825 184696882 /nfs/dbraw/zinc/69/68/82/184696882.db2.gz KXYJFVWOSXABPO-OCCSQVGLSA-N 1 0 285.819 2.456 10 0 CEAERO CN(C)c1cccc(OCC[C@@H]2CCC[C@]2([NH3+])CO)c1 ZINC000093619645 184697233 /nfs/dbraw/zinc/69/72/33/184697233.db2.gz WSQPMESKIRBMCR-BBRMVZONSA-N 1 0 278.396 2.011 10 0 CEAERO CC[NH2+][C@@]1(CO)CCC[C@H]1CCOCC(F)(F)F ZINC000093620716 184697320 /nfs/dbraw/zinc/69/73/20/184697320.db2.gz GCQJAEMOXNWBBQ-WDEREUQCSA-N 1 0 269.307 2.096 10 0 CEAERO COC(=O)[C@@]1([NH3+])CCC[C@@H]1CCOc1ccccc1 ZINC000093625040 184698067 /nfs/dbraw/zinc/69/80/67/184698067.db2.gz LQGOBSNIWLGZTM-IUODEOHRSA-N 1 0 263.337 2.126 10 0 CEAERO CCOc1ccccc1OCC[C@@H]1CCC[C@]1(O)C[NH3+] ZINC000093627949 184698549 /nfs/dbraw/zinc/69/85/49/184698549.db2.gz ALBQOFIJVFJRAN-BBRMVZONSA-N 1 0 279.380 2.344 10 0 CEAERO [NH3+]C[C@]1(O)CCC[C@@H]1CCOc1cc(F)cc(F)c1 ZINC000093627432 184698575 /nfs/dbraw/zinc/69/85/75/184698575.db2.gz SUMOCUGSDDTBJG-QMTHXVAHSA-N 1 0 271.307 2.224 10 0 CEAERO CCOc1cccc(OCC[C@H]2CCC[C@]2(O)C[NH3+])c1 ZINC000093627414 184698893 /nfs/dbraw/zinc/69/88/93/184698893.db2.gz RCDSZDPMTNXOAQ-CJNGLKHVSA-N 1 0 279.380 2.344 10 0 CEAERO CCc1nn(CC)c(C[C@H]([NH3+])[C@H](C)OC)c1Cl ZINC000093690020 184706649 /nfs/dbraw/zinc/70/66/49/184706649.db2.gz KTPDLVBXRAUGRM-IUCAKERBSA-N 1 0 259.781 2.024 10 0 CEAERO CCC[C@@H](CC[C@@H]1CCCN(S(C)(=O)=O)C1)[NH2+]CC ZINC000093697945 184707303 /nfs/dbraw/zinc/70/73/03/184707303.db2.gz MLFJEXWEBICPPE-KBPBESRZSA-N 1 0 290.473 2.216 10 0 CEAERO C[NH2+][C@@]1(CO)CCC[C@@H](Oc2ccc(F)c(F)c2)C1 ZINC000093785820 184721916 /nfs/dbraw/zinc/72/19/16/184721916.db2.gz FBGBHEZJTFHUGE-RISCZKNCSA-N 1 0 271.307 2.237 10 0 CEAERO CC[NH2+][C@]1(CO)CCC[C@@H](OCC2CCCC2)C1 ZINC000093785967 184722151 /nfs/dbraw/zinc/72/21/51/184722151.db2.gz WDXWERNDTXAZTC-HUUCEWRRSA-N 1 0 255.402 2.476 10 0 CEAERO C[NH2+][C@@]1(CO)CCC[C@H](Oc2ccc3c(c2)CCC3)C1 ZINC000093785166 184722161 /nfs/dbraw/zinc/72/21/61/184722161.db2.gz OGSITXDLPFAGSM-IRXDYDNUSA-N 1 0 275.392 2.447 10 0 CEAERO CC(C)[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCc1cscn1 ZINC000094449824 184802955 /nfs/dbraw/zinc/80/29/55/184802955.db2.gz MXUZTCDOARZIMU-HUUCEWRRSA-N 1 0 279.453 2.490 10 0 CEAERO CC(C)c1nnsc1C(=O)NC1C(C)(C)C([NH3+])C1(C)C ZINC000094006404 184749625 /nfs/dbraw/zinc/74/96/25/184749625.db2.gz YTPQVIYALXGHPW-UHFFFAOYSA-N 1 0 296.440 2.153 10 0 CEAERO CN(CC1CC[NH2+]CC1)C(=O)c1c(F)cc(F)cc1F ZINC000094022065 184750346 /nfs/dbraw/zinc/75/03/46/184750346.db2.gz NZHCLHZUKSJFJL-UHFFFAOYSA-N 1 0 286.297 2.176 10 0 CEAERO C[NH2+][C@H](Cc1nc(-c2ccc(F)cn2)no1)C(C)(C)C ZINC000094051159 184752458 /nfs/dbraw/zinc/75/24/58/184752458.db2.gz GOSCVEAWXHTUMG-LLVKDONJSA-N 1 0 278.331 2.447 10 0 CEAERO CCc1ccc(C[C@H](Cc2ccncc2)[NH2+]C)nc1 ZINC000094117408 184755631 /nfs/dbraw/zinc/75/56/31/184755631.db2.gz YJTUZHJRMCMGIT-INIZCTEOSA-N 1 0 255.365 2.412 10 0 CEAERO CCn1c(C[C@H]([NH2+]C)[C@@H]2CCOC2)nc2ccccc21 ZINC000094171587 184759376 /nfs/dbraw/zinc/75/93/76/184759376.db2.gz NWHPNULYZBMZLU-OCCSQVGLSA-N 1 0 273.380 2.223 10 0 CEAERO C[NH2+][C@H](c1ccc(OC)c(OC)c1)[C@@H]1CCO[C@@H]1C ZINC000094176074 184759750 /nfs/dbraw/zinc/75/97/50/184759750.db2.gz FUDCXPZJAVZRIK-IXPVHAAZSA-N 1 0 265.353 2.389 10 0 CEAERO [NH3+]CCCN(C(=O)c1ccc(F)c(F)c1F)C1CC1 ZINC000094183439 184760288 /nfs/dbraw/zinc/76/02/88/184760288.db2.gz NDHQHUOGYHTUEU-UHFFFAOYSA-N 1 0 272.270 2.057 10 0 CEAERO CCCNC(=O)[C@H](C)Oc1ccc(C[NH2+]C(C)(C)C)nc1 ZINC000094211507 184763962 /nfs/dbraw/zinc/76/39/62/184763962.db2.gz KDEGIDHUOAIZLA-LBPRGKRZSA-N 1 0 293.411 2.263 10 0 CEAERO CC[NH2+]CCC(C)(C)c1ccc(NS(C)(=O)=O)cc1 ZINC000094269767 184773582 /nfs/dbraw/zinc/77/35/82/184773582.db2.gz ATXIFWOPLKVINI-UHFFFAOYSA-N 1 0 284.425 2.335 10 0 CEAERO CCC[NH2+]Cc1cc(F)c(OCC(=O)OC)c(F)c1 ZINC000094347296 184786127 /nfs/dbraw/zinc/78/61/27/184786127.db2.gz OJNZIOSYULDFIH-UHFFFAOYSA-N 1 0 273.279 2.016 10 0 CEAERO [NH3+][C@]1([C@H]2CCOC3(CCSCC3)C2)CCCOC1 ZINC000094390982 184792857 /nfs/dbraw/zinc/79/28/57/184792857.db2.gz WYQVGNDUIVUOFU-GXTWGEPZSA-N 1 0 271.426 2.187 10 0 CEAERO CC[C@]([NH3+])(COC)[C@@H]1CCOC2(CCSCC2)C1 ZINC000094391079 184793070 /nfs/dbraw/zinc/79/30/70/184793070.db2.gz XUZCBTWJJXEXCX-OCCSQVGLSA-N 1 0 273.442 2.433 10 0 CEAERO CC[NH2+][C@@H]([C@@H]1CCCO1)[C@@H]1CCOC2(CCOCC2)C1 ZINC000094405064 184793361 /nfs/dbraw/zinc/79/33/61/184793361.db2.gz PBDOWTBGQHDKEY-QLFBSQMISA-N 1 0 283.412 2.119 10 0 CEAERO Cc1cccnc1[C@H]([NH3+])[C@@H]1CCOC2(CCOCC2)C1 ZINC000094401077 184793622 /nfs/dbraw/zinc/79/36/22/184793622.db2.gz DNNJFMXPLVFKNM-ZIAGYGMSSA-N 1 0 276.380 2.366 10 0 CEAERO COCC[NH2+]CC/C=C(/C)[C@H]1CCO[C@]2(CCOC2)C1 ZINC000094419609 184794987 /nfs/dbraw/zinc/79/49/87/184794987.db2.gz LPMQFBRINOJPJA-RPAFBDFDSA-N 1 0 283.412 2.145 10 0 CEAERO Cn1cc(CN2C[C@@H](C3CC3)[NH2+]Cc3ccccc32)cn1 ZINC000094421494 184795632 /nfs/dbraw/zinc/79/56/32/184795632.db2.gz SPAWYSFQRVSCBX-INIZCTEOSA-N 1 0 282.391 2.309 10 0 CEAERO CC[NH2+]Cc1ccc(Cn2ncc(Cl)c2C)nc1 ZINC000094759232 184855734 /nfs/dbraw/zinc/85/57/34/184855734.db2.gz VFXDTSHRRBYOKA-UHFFFAOYSA-N 1 0 264.760 2.398 10 0 CEAERO CC[NH2+][C@H](Cc1nc([C@@]2(C)CCCO2)no1)C(C)C ZINC000094785991 184863950 /nfs/dbraw/zinc/86/39/50/184863950.db2.gz LIGWEYOPLXFFEQ-BXUZGUMPSA-N 1 0 267.373 2.272 10 0 CEAERO C[NH2+][C@@H](c1cccc(OC(C)C)c1)C(OC)OC ZINC000094835485 184877200 /nfs/dbraw/zinc/87/72/00/184877200.db2.gz LKPIVRFJZUQENQ-ZDUSSCGKSA-N 1 0 253.342 2.353 10 0 CEAERO C[C@H]1C[C@](C[NH3+])(N(C)c2ccc(F)cc2)CS1 ZINC000094473561 184807698 /nfs/dbraw/zinc/80/76/98/184807698.db2.gz PDNNGVAZYJFLDR-GXFFZTMASA-N 1 0 254.374 2.485 10 0 CEAERO CC[C@H](C)NC(=O)CC[NH2+][C@H]1CCCS[C@@H]1C ZINC000094478169 184807925 /nfs/dbraw/zinc/80/79/25/184807925.db2.gz ZQQDIOVRUBQXGQ-TUAOUCFPSA-N 1 0 258.431 2.165 10 0 CEAERO CCOC(=O)CCC[NH2+][C@H]1CSCCC1(C)C ZINC000094483767 184808691 /nfs/dbraw/zinc/80/86/91/184808691.db2.gz HGFCYMSUKYZINN-NSHDSACASA-N 1 0 259.415 2.451 10 0 CEAERO CCC[C@@H](C[NH3+])c1nc([C@H]2CSCCS2)no1 ZINC000094495652 184809754 /nfs/dbraw/zinc/80/97/54/184809754.db2.gz IJPKZEZFPJNWQQ-DTWKUNHWSA-N 1 0 273.427 2.433 10 0 CEAERO CC[NH2+][C@@H](Cc1csc(C)n1)[C@H]1CSCCO1 ZINC000094504107 184811562 /nfs/dbraw/zinc/81/15/62/184811562.db2.gz ZYORNAXOAOAWIP-NWDGAFQWSA-N 1 0 272.439 2.104 10 0 CEAERO C[NH2+][C@@H](Cc1cccc(F)c1F)[C@H]1CSCCO1 ZINC000094503156 184811775 /nfs/dbraw/zinc/81/17/75/184811775.db2.gz ZEFBYPICACMWSV-NWDGAFQWSA-N 1 0 273.348 2.227 10 0 CEAERO Cc1cc(C)c(NC(=O)[C@@H]2CC[C@@H](C[NH3+])O2)c(C)c1 ZINC000094562649 184818726 /nfs/dbraw/zinc/81/87/26/184818726.db2.gz KQEDETYGMBIXGD-STQMWFEESA-N 1 0 262.353 2.057 10 0 CEAERO CN(c1nc2ccc(Cl)cn2n1)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000094608893 184825418 /nfs/dbraw/zinc/82/54/18/184825418.db2.gz TXZOSIWTWQMVCN-PWSUYJOCSA-N 1 0 293.802 2.336 10 0 CEAERO NC(=O)[C@@](CSc1cccc(F)c1)([NH2+]C1CC1)C1CC1 ZINC000094624506 184828450 /nfs/dbraw/zinc/82/84/50/184828450.db2.gz SHFPEAUNRMHGGM-HNNXBMFYSA-N 1 0 294.395 2.304 10 0 CEAERO CC[NH2+][C@H](C)C[C@H](C)S(=O)(=O)c1cccc(F)c1 ZINC000094625070 184829014 /nfs/dbraw/zinc/82/90/14/184829014.db2.gz LLUHVWYDBCMHJH-MNOVXSKESA-N 1 0 273.373 2.376 10 0 CEAERO CC[NH2+][C@H](CSCC)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094642448 184832599 /nfs/dbraw/zinc/83/25/99/184832599.db2.gz MTEBSGHZQAWDAW-FRRDWIJNSA-N 1 0 293.498 2.321 10 0 CEAERO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000094647834 184834169 /nfs/dbraw/zinc/83/41/69/184834169.db2.gz GKHKNLAQLISDBI-VHSXEESVSA-N 1 0 266.307 2.175 10 0 CEAERO COc1cc(OC)cc([C@H]([NH3+])c2cc(C)ccn2)c1 ZINC000094651136 184835193 /nfs/dbraw/zinc/83/51/93/184835193.db2.gz PNGNHDYZBAUEQH-HNNXBMFYSA-N 1 0 258.321 2.455 10 0 CEAERO Cc1ncccc1O[C@H](C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000094673014 184838272 /nfs/dbraw/zinc/83/82/72/184838272.db2.gz BOCGPWOXYIMTMP-GFCCVEGCSA-N 1 0 285.347 2.255 10 0 CEAERO CCC[NH2+][C@@H](Cc1ncnn1C)c1ccc(Cl)cn1 ZINC000094844989 184879044 /nfs/dbraw/zinc/87/90/44/184879044.db2.gz TUECRMQCSLWPGN-LBPRGKRZSA-N 1 0 279.775 2.147 10 0 CEAERO CC(C)C[C@H](C[NH3+])C(=O)NCC1C(C)(C)C1(C)C ZINC000094701011 184842691 /nfs/dbraw/zinc/84/26/91/184842691.db2.gz DTAQPXGAHNUAAI-LLVKDONJSA-N 1 0 254.418 2.406 10 0 CEAERO C[NH2+][C@@H](Cc1nc(C)cs1)[C@H]1COc2ccccc2O1 ZINC000094973637 184909538 /nfs/dbraw/zinc/90/95/38/184909538.db2.gz AYEXIKJXGLORCK-SMDDNHRTSA-N 1 0 290.388 2.422 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccsc1)N(C)CCOCC1CC1 ZINC000094983996 184909896 /nfs/dbraw/zinc/90/98/96/184909896.db2.gz ZTUUMXBFFHEMJN-BXUZGUMPSA-N 1 0 268.426 2.495 10 0 CEAERO CCC[C@H]1C[NH2+]CCN1Cc1nc(C)c(C)s1 ZINC000094979255 184910135 /nfs/dbraw/zinc/91/01/35/184910135.db2.gz YZBNKNGRVNCFKM-LBPRGKRZSA-N 1 0 253.415 2.334 10 0 CEAERO C[NH+](C)CCSCC(=O)Nc1ccc(Cl)c(N)c1 ZINC000095020145 184915998 /nfs/dbraw/zinc/91/59/98/184915998.db2.gz MHALRWSJISSZGS-UHFFFAOYSA-N 1 0 287.816 2.156 10 0 CEAERO CCN(C(=O)C[C@@H]1CCCCO1)c1ccc(C[NH3+])cc1 ZINC000095030585 184918073 /nfs/dbraw/zinc/91/80/73/184918073.db2.gz UQCMHMOYSUYGAB-HNNXBMFYSA-N 1 0 276.380 2.457 10 0 CEAERO C[C@@H](NC(=O)Cc1ccc(F)c(F)c1)[C@H]1CCCC[NH2+]1 ZINC000095048494 184923882 /nfs/dbraw/zinc/92/38/82/184923882.db2.gz JGTZVLGDBJFPHV-QMTHXVAHSA-N 1 0 282.334 2.154 10 0 CEAERO O=C(Cc1ccc(F)c(F)c1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000095047702 184924211 /nfs/dbraw/zinc/92/42/11/184924211.db2.gz CSCNVDLDMDIKLM-YNEHKIRRSA-N 1 0 294.345 2.012 10 0 CEAERO CCN(CC(C)(C)C[NH3+])C(=O)Cc1ccc(F)cc1F ZINC000095067772 184930258 /nfs/dbraw/zinc/93/02/58/184930258.db2.gz GLNSWVUIACHJJT-UHFFFAOYSA-N 1 0 284.350 2.341 10 0 CEAERO Clc1ccnc(OCCC[C@@H]2CCC[NH2+]C2)n1 ZINC000095070171 184931893 /nfs/dbraw/zinc/93/18/93/184931893.db2.gz MWOLQMJEDIJZDK-JTQLQIEISA-N 1 0 255.749 2.289 10 0 CEAERO Brc1ccc(COC[C@@H]2CCC[NH2+]2)cn1 ZINC000095092436 184941601 /nfs/dbraw/zinc/94/16/01/184941601.db2.gz ZQXLCJLEGYNAOE-JTQLQIEISA-N 1 0 271.158 2.113 10 0 CEAERO Brc1cc(COC[C@@H]2CCC[NH2+]2)ccn1 ZINC000095092463 184941714 /nfs/dbraw/zinc/94/17/14/184941714.db2.gz DTIJLNUCISPGIB-JTQLQIEISA-N 1 0 271.158 2.113 10 0 CEAERO COc1ccc(F)c(N2CC[C@H](C[NH2+]C3CC3)C2)c1 ZINC000094856142 184881611 /nfs/dbraw/zinc/88/16/11/184881611.db2.gz BCJFCPNHGIOURD-LLVKDONJSA-N 1 0 264.344 2.413 10 0 CEAERO CCC[NH2+][C@H]1CCN(c2cc(OC)ccc2F)C1 ZINC000094856109 184881927 /nfs/dbraw/zinc/88/19/27/184881927.db2.gz DKFBZQLIVBIJJV-NSHDSACASA-N 1 0 252.333 2.413 10 0 CEAERO COc1ccc(F)c(N2CCC[NH2+][C@H](C3CC3)C2)c1 ZINC000094857137 184883780 /nfs/dbraw/zinc/88/37/80/184883780.db2.gz SQGQHIUAAYQHGE-AWEZNQCLSA-N 1 0 264.344 2.413 10 0 CEAERO c1nc2c(c(N3CCC[C@H]3[C@@H]3CCC[NH2+]3)n1)CCCC2 ZINC000094872454 184885320 /nfs/dbraw/zinc/88/53/20/184885320.db2.gz FYAHGSWUBDNXEB-GJZGRUSLSA-N 1 0 272.396 2.076 10 0 CEAERO CCc1ccsc1CNC(=O)C[NH2+][C@@H](C)CC ZINC000094876807 184886621 /nfs/dbraw/zinc/88/66/21/184886621.db2.gz VHVLZDOTKLDUSI-JTQLQIEISA-N 1 0 254.399 2.315 10 0 CEAERO Cc1cc(CNC(=O)[C@H]2C[NH2+]C[C@@H](C)C2)cc(C)c1F ZINC000094894928 184889273 /nfs/dbraw/zinc/88/92/73/184889273.db2.gz KHANFNHZICHSPU-IINYFYTJSA-N 1 0 278.371 2.304 10 0 CEAERO CCOc1cccc([C@H]([NH2+]C)C(C)(C)N2CCOCC2)c1 ZINC000094933188 184895723 /nfs/dbraw/zinc/89/57/23/184895723.db2.gz JXDDIGOKPSWRCM-INIZCTEOSA-N 1 0 292.423 2.457 10 0 CEAERO C[C@@H](CCCO)[NH2+]C[C@H]1Cc2ccccc2S1 ZINC000094944021 184899345 /nfs/dbraw/zinc/89/93/45/184899345.db2.gz SLGKSKAJUDSSOY-WCQYABFASA-N 1 0 251.395 2.454 10 0 CEAERO CC[C@@H](CCO)C[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000094953759 184902912 /nfs/dbraw/zinc/90/29/12/184902912.db2.gz CJMVYFKUTALDSX-FZMZJTMJSA-N 1 0 267.344 2.127 10 0 CEAERO Cc1csc(COc2cc3c(cc2C[NH3+])OCO3)n1 ZINC000094964779 184906924 /nfs/dbraw/zinc/90/69/24/184906924.db2.gz FHHJSUKJKJIYJL-UHFFFAOYSA-N 1 0 278.333 2.218 10 0 CEAERO C[C@@H]([NH2+]Cc1cc[nH]n1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400463034 533442331 /nfs/dbraw/zinc/44/23/31/533442331.db2.gz SBXOAEKWKVYHML-NEPJUHHUSA-N 1 0 294.399 2.145 10 0 CEAERO c1ccc2c(c1)N(C[C@H]1CCC[NH2+]C1)CCN2C1CC1 ZINC000261954037 285518241 /nfs/dbraw/zinc/51/82/41/285518241.db2.gz OJKCRKMLDLJXPE-AWEZNQCLSA-N 1 0 271.408 2.475 10 0 CEAERO CC[NH2+]C[C@H]1CCCCN1c1ncncc1Cl ZINC000097848611 134513887 /nfs/dbraw/zinc/51/38/87/134513887.db2.gz FMUHLICZJJRJBO-SNVBAGLBSA-N 1 0 254.765 2.098 10 0 CEAERO C[NH+](C)CC1CCN(c2ccc(C(N)=S)cc2)CC1 ZINC000042388259 134887768 /nfs/dbraw/zinc/88/77/68/134887768.db2.gz AJEPFMAPSCLRMV-UHFFFAOYSA-N 1 0 277.437 2.099 10 0 CEAERO OC[C@@](CN1CCCc2ccccc21)([NH2+]C1CC1)C1CC1 ZINC000070513014 134952394 /nfs/dbraw/zinc/95/23/94/134952394.db2.gz LKNOFBANYRZBCT-GOSISDBHSA-N 1 0 286.419 2.332 10 0 CEAERO C[C@@H]1CCC[C@@H]([NH+]2CCN(c3ccc(N)cn3)CC2)C1 ZINC000071150624 134958373 /nfs/dbraw/zinc/95/83/73/134958373.db2.gz PSRILFDKARDYKZ-UKRRQHHQSA-N 1 0 274.412 2.365 10 0 CEAERO Cc1ccc2c(c1)CCCN2c1cnc(C(N)=[NH2+])cn1 ZINC000071179873 134960356 /nfs/dbraw/zinc/96/03/56/134960356.db2.gz YIJKXJCDZSOLHD-UHFFFAOYSA-N 1 0 267.336 2.153 10 0 CEAERO CCCCS(=O)(=O)N1CC[C@H]([NH3+])c2ccccc21 ZINC000071324849 134962954 /nfs/dbraw/zinc/96/29/54/134962954.db2.gz WLLILWYIIJKXST-LBPRGKRZSA-N 1 0 268.382 2.026 10 0 CEAERO CC[C@@H]([NH2+]C1CCN(c2ncccn2)CC1)C1CC1 ZINC000086116611 135038725 /nfs/dbraw/zinc/03/87/25/135038725.db2.gz CVLKTTIUOFXZSQ-CQSZACIVSA-N 1 0 260.385 2.224 10 0 CEAERO CC(C)([NH3+])C(C)(C)C(=O)N1CCOc2ccccc21 ZINC000087628962 135050879 /nfs/dbraw/zinc/05/08/79/135050879.db2.gz LYFVAQYPHPSYNG-UHFFFAOYSA-N 1 0 262.353 2.176 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCCN1c1c(F)cc(F)cc1F ZINC000088724122 135056527 /nfs/dbraw/zinc/05/65/27/135056527.db2.gz SSRQWEHHRXCROL-LBPRGKRZSA-N 1 0 284.281 2.351 10 0 CEAERO CCc1cc(N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)nc(C)n1 ZINC000088760569 135057069 /nfs/dbraw/zinc/05/70/69/135057069.db2.gz UDQDVRUMPLCTFN-HIFRSBDPSA-N 1 0 274.412 2.316 10 0 CEAERO CCCOc1cc(N2C[C@H](CC)[NH2+]C[C@@H]2CC)ncn1 ZINC000090785250 135065007 /nfs/dbraw/zinc/06/50/07/135065007.db2.gz PKQORQANLCGSKB-STQMWFEESA-N 1 0 278.400 2.232 10 0 CEAERO CCOc1ncnc(N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c1C ZINC000090789615 135065495 /nfs/dbraw/zinc/06/54/95/135065495.db2.gz KGSHLHCHOZITFF-KBPBESRZSA-N 1 0 290.411 2.295 10 0 CEAERO CCOc1ncnc(N2CCC(CC[NH2+]C)CC2)c1C ZINC000090789672 135065498 /nfs/dbraw/zinc/06/54/98/135065498.db2.gz FIGLUQUCQUOWSM-UHFFFAOYSA-N 1 0 278.400 2.010 10 0 CEAERO C[C@H]1Cc2ccccc2N(c2cncc(C[NH3+])n2)C1 ZINC000091421552 135069347 /nfs/dbraw/zinc/06/93/47/135069347.db2.gz ISMILCQLBGBHKR-NSHDSACASA-N 1 0 254.337 2.266 10 0 CEAERO CCC[NH2+]Cc1cncc(N2CCC[C@H](OCCC)C2)n1 ZINC000091421014 135069467 /nfs/dbraw/zinc/06/94/67/135069467.db2.gz WCSJTSUTCSPWTE-HNNXBMFYSA-N 1 0 292.427 2.372 10 0 CEAERO Cc1cc(F)cc(N2CCC[C@@H]([NH2+]C3CC3)C2=O)c1 ZINC000091527218 135071047 /nfs/dbraw/zinc/07/10/47/135071047.db2.gz DOVDBWGZSFPVQT-CQSZACIVSA-N 1 0 262.328 2.382 10 0 CEAERO C[C@@H]1[NH2+]CC[C@@H]1CN1CCN(c2ccccc2Cl)CC1 ZINC000092957713 135077493 /nfs/dbraw/zinc/07/74/93/135077493.db2.gz MENMDHMLGPQRLA-UONOGXRCSA-N 1 0 293.842 2.460 10 0 CEAERO C[C@@H]1[NH2+]CC[C@@H]1CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000092957723 135078291 /nfs/dbraw/zinc/07/82/91/135078291.db2.gz LDDFOMIKJXNFFY-UONOGXRCSA-N 1 0 293.842 2.460 10 0 CEAERO [NH3+][C@H]1CC[C@@H](Nc2ccc(N3CCCCC3)nc2)C1 ZINC000093206388 135079924 /nfs/dbraw/zinc/07/99/24/135079924.db2.gz SMUVZUVCCBCDJC-QWHCGFSZSA-N 1 0 260.385 2.364 10 0 CEAERO Cc1cccc(N2CCN(C3(C[NH3+])CCC3)CC2)c1C ZINC000093394484 135080563 /nfs/dbraw/zinc/08/05/63/135080563.db2.gz GAKUILLHSMPWAV-UHFFFAOYSA-N 1 0 273.424 2.307 10 0 CEAERO CN1CCN(C(=O)C2CCC(C[NH3+])CC2)c2ccccc21 ZINC000093425876 135080844 /nfs/dbraw/zinc/08/08/44/135080844.db2.gz STYDIVIYRGQZBO-UHFFFAOYSA-N 1 0 287.407 2.235 10 0 CEAERO C[C@H](O)c1ccc(N2CC[NH+](C(C)(C)C)CC2)cc1O ZINC000093672289 135082174 /nfs/dbraw/zinc/08/21/74/135082174.db2.gz HHKMZJYGCHYYTJ-LBPRGKRZSA-N 1 0 278.396 2.366 10 0 CEAERO CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCO[C@@H]2C)c2ccccc21 ZINC000094173396 135083102 /nfs/dbraw/zinc/08/31/02/135083102.db2.gz JVVBSGSJYLQBJN-UMVBOHGHSA-N 1 0 288.391 2.499 10 0 CEAERO C[NH2+][C@H](c1ccc2c(c1)CCC(=O)N2C)[C@@H]1CCO[C@@H]1C ZINC000094177066 135083795 /nfs/dbraw/zinc/08/37/95/135083795.db2.gz IKHGUGCREQQZQT-JDSLSITLSA-N 1 0 288.391 2.281 10 0 CEAERO Cc1cc(C=O)ccc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094439713 135087739 /nfs/dbraw/zinc/08/77/39/135087739.db2.gz YEVWEECOGMZHKA-OAHLLOKOSA-N 1 0 258.365 2.482 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@H](C)c1nc(C2CCCCC2)no1 ZINC000236921886 394489575 /nfs/dbraw/zinc/48/95/75/394489575.db2.gz KGLDHIMIEYIQRU-PWSUYJOCSA-N 1 0 294.399 2.422 10 0 CEAERO CCC1CCC([NH2+]C2CCS(=O)(=O)CC2)CC1 ZINC000036331226 394494710 /nfs/dbraw/zinc/49/47/10/394494710.db2.gz SDTKACSSNPZUSP-UHFFFAOYSA-N 1 0 259.415 2.122 10 0 CEAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CC[C@@H]1CCCO1 ZINC000251928667 394569841 /nfs/dbraw/zinc/56/98/41/394569841.db2.gz YNVLBVIVLVBZAX-ILXRZTDVSA-N 1 0 252.402 2.114 10 0 CEAERO CC(C)[C@@H]1CCC[C@H](NC(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000246570756 394518382 /nfs/dbraw/zinc/51/83/82/394518382.db2.gz UYHZIRAFNCFAOG-RFGFWPKPSA-N 1 0 252.402 2.445 10 0 CEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)[C@@H](C)c2cccnc2)C1 ZINC000247391841 394530364 /nfs/dbraw/zinc/53/03/64/394530364.db2.gz QMHUBWIDGIUBJY-KCQAQPDRSA-N 1 0 275.396 2.030 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cc(C)ccc2C)C1 ZINC000048841627 394533037 /nfs/dbraw/zinc/53/30/37/394533037.db2.gz LWTWIVRURVIQMI-CQSZACIVSA-N 1 0 296.436 2.066 10 0 CEAERO CC(C)OCCCN1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000310558261 394535300 /nfs/dbraw/zinc/53/53/00/394535300.db2.gz AJAVIALXPAULHR-LSDHHAIUSA-N 1 0 254.418 2.360 10 0 CEAERO COc1cc(F)cc(C[NH2+][C@@H]2CCCC[C@@H]2CO)c1 ZINC000312262980 394540772 /nfs/dbraw/zinc/54/07/72/394540772.db2.gz BCIDBBOCBVCJRU-IUODEOHRSA-N 1 0 267.344 2.475 10 0 CEAERO CC[C@@H]1CN(C(=O)[C@H]2C[C@]2(C)C(C)C)CC[N@@H+]1CCOC ZINC000248481104 394541593 /nfs/dbraw/zinc/54/15/93/394541593.db2.gz RXDGOEXRZHLNBB-BFYDXBDKSA-N 1 0 296.455 2.238 10 0 CEAERO C(C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21)O[C@H]1CCCCO1 ZINC000248503661 394541796 /nfs/dbraw/zinc/54/17/96/394541796.db2.gz VCPGOSMUNIOHBS-ZNMIVQPWSA-N 1 0 269.385 2.173 10 0 CEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCCC3(CC3)C2)C1 ZINC000248717548 394546381 /nfs/dbraw/zinc/54/63/81/394546381.db2.gz NVVVCFGETGYHQF-UONOGXRCSA-N 1 0 279.428 2.301 10 0 CEAERO Oc1cccc(C[NH2+][C@H]2CCC[C@H](O)C2)c1Cl ZINC000328254866 394551397 /nfs/dbraw/zinc/55/13/97/394551397.db2.gz UAEDMEUCNVBYOJ-QWRGUYRKSA-N 1 0 255.745 2.439 10 0 CEAERO Cc1ccc(-c2nc(CN3C[C@H](C)[C@H]([NH3+])C3)co2)cc1 ZINC000261654977 394605056 /nfs/dbraw/zinc/60/50/56/394605056.db2.gz 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ZINC000176995175 165182076 /nfs/dbraw/zinc/18/20/76/165182076.db2.gz OOCLVMQFOVAWPJ-CQSZACIVSA-N 1 0 275.396 2.255 10 0 CEAERO C[C@H]1C[N@H+](CCC2CCCC2)C[C@@H]1N1CCOCC1 ZINC000177235045 165188099 /nfs/dbraw/zinc/18/80/99/165188099.db2.gz SOEWJDDEKCQKEA-HOCLYGCPSA-N 1 0 266.429 2.219 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCCOCC(C)C ZINC000177337818 165195906 /nfs/dbraw/zinc/19/59/06/165195906.db2.gz FXTXYCLHNKROHC-HNNXBMFYSA-N 1 0 299.459 2.175 10 0 CEAERO CC(C)COC1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000178443320 165241672 /nfs/dbraw/zinc/24/16/72/165241672.db2.gz ODJCIWADWSHFDN-KBPBESRZSA-N 1 0 282.428 2.168 10 0 CEAERO O=C(CCc1ccc2[nH]ccc2c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000180472754 165310224 /nfs/dbraw/zinc/31/02/24/165310224.db2.gz CKSQSOOQGNQCSS-MRXNPFEDSA-N 1 0 297.402 2.407 10 0 CEAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(C)o1)CC2 ZINC000180611420 165315655 /nfs/dbraw/zinc/31/56/55/165315655.db2.gz FFPSXZNKAJJDOV-NWDGAFQWSA-N 1 0 274.368 2.408 10 0 CEAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](C)C(C)C)CC2 ZINC000180651636 165318669 /nfs/dbraw/zinc/31/86/69/165318669.db2.gz ZUQAEMPYOUXCOY-NWDGAFQWSA-N 1 0 250.390 2.350 10 0 CEAERO CCn1cc(C2CC[NH+](C[C@@H](C)OC)CC2)cn1 ZINC000182107789 165362714 /nfs/dbraw/zinc/36/27/14/165362714.db2.gz GOHKYTQGCKRGAW-GFCCVEGCSA-N 1 0 251.374 2.117 10 0 CEAERO CCC[C@@H](C)C[NH2+][C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182483125 165372637 /nfs/dbraw/zinc/37/26/37/165372637.db2.gz LIOVYFKWROACAZ-OCCSQVGLSA-N 1 0 292.427 2.250 10 0 CEAERO CCC[C@@H](C)C[NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182483084 165373380 /nfs/dbraw/zinc/37/33/80/165373380.db2.gz LIOVYFKWROACAZ-TZMCWYRMSA-N 1 0 292.427 2.250 10 0 CEAERO c1cn(CCC[N@@H+]2CC[C@H](CNc3ccccn3)C2)cn1 ZINC000183180402 165388020 /nfs/dbraw/zinc/38/80/20/165388020.db2.gz PSIKFOAWUSDEMQ-OAHLLOKOSA-N 1 0 285.395 2.102 10 0 CEAERO CC[C@H](C)[C@@H](C)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000183505660 165398568 /nfs/dbraw/zinc/39/85/68/165398568.db2.gz DBQMHAPLGTXTTC-BFHYXJOUSA-N 1 0 252.402 2.365 10 0 CEAERO Cc1cnn(CC[NH2+]Cc2cnc(C(C)(C)C)nc2)c1 ZINC000284212924 196004688 /nfs/dbraw/zinc/00/46/88/196004688.db2.gz CHUGPBKBUSPNME-UHFFFAOYSA-N 1 0 273.384 2.069 10 0 CEAERO CC[NH+](CC)CCn1nc(-c2cccs2)ccc1=O ZINC000005388128 170093276 /nfs/dbraw/zinc/09/32/76/170093276.db2.gz HOMPFWUXIKMSIW-UHFFFAOYSA-N 1 0 277.393 2.314 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCOC(C)(C)C ZINC000245442018 287229922 /nfs/dbraw/zinc/22/99/22/287229922.db2.gz VWQPENYBXAZKKZ-KGLIPLIRSA-N 1 0 254.418 2.360 10 0 CEAERO Cc1ccc(N)cc1NC(=O)[C@H](C)[NH+]1CCCCC1 ZINC000006533885 170211409 /nfs/dbraw/zinc/21/14/09/170211409.db2.gz NMCYBLKMXRPGDD-LBPRGKRZSA-N 1 0 261.369 2.390 10 0 CEAERO COc1ccccc1NC(=O)NCC[C@H]1CCCC[NH2+]1 ZINC000019428135 170796011 /nfs/dbraw/zinc/79/60/11/170796011.db2.gz UQOYEJWODVKLSC-GFCCVEGCSA-N 1 0 277.368 2.349 10 0 CEAERO C[C@H]1CC[C@H](C(=O)Nc2ccc3c(c2)OCCCO3)C[NH2+]1 ZINC000019478582 170808638 /nfs/dbraw/zinc/80/86/38/170808638.db2.gz FPRSSRSQMYFIOT-RYUDHWBXSA-N 1 0 290.363 2.175 10 0 CEAERO Cc1cnc(NC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)s1 ZINC000019503137 170815785 /nfs/dbraw/zinc/81/57/85/170815785.db2.gz CJZNRWOJSWUNIS-OUAUKWLOSA-N 1 0 265.382 2.311 10 0 CEAERO C[C@H]1CC[C@@H](C(=O)Nc2ccc(F)c(F)c2)C[NH2+]1 ZINC000019518612 170824634 /nfs/dbraw/zinc/82/46/34/170824634.db2.gz PBDTXTMTAWOVID-DTWKUNHWSA-N 1 0 254.280 2.291 10 0 CEAERO CCOc1ccccc1NC(=O)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000019802265 170871190 /nfs/dbraw/zinc/87/11/90/170871190.db2.gz DJMUQNCFLVFASS-VXGBXAGGSA-N 1 0 262.353 2.412 10 0 CEAERO COc1cc(OC)c(NCC[NH+](C)C)cc1Cl ZINC000020046729 170978063 /nfs/dbraw/zinc/97/80/63/170978063.db2.gz RJJYXTCIWUCKLJ-UHFFFAOYSA-N 1 0 258.749 2.331 10 0 CEAERO C[C@@H]1CN(C[C@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C[C@@H](C)O1 ZINC000020071814 170982509 /nfs/dbraw/zinc/98/25/09/170982509.db2.gz JPAXTNPVALZXLN-QMIVOQANSA-N 1 0 252.402 2.016 10 0 CEAERO CC(C)[NH+]1CCC(NC[C@H]2COc3ccccc3O2)CC1 ZINC000020137676 171025103 /nfs/dbraw/zinc/02/51/03/171025103.db2.gz GHRQUKZGYMCVQU-HNNXBMFYSA-N 1 0 290.407 2.289 10 0 CEAERO CC(=O)NCC[NH2+][C@H](c1ccccc1)c1ccc(O)cc1 ZINC000020148850 171036913 /nfs/dbraw/zinc/03/69/13/171036913.db2.gz XRBKPRWGJRBOEX-QGZVFWFLSA-N 1 0 284.359 2.207 10 0 CEAERO [NH3+]C[C@H](c1cccc(Cl)c1)N1CCC(CO)CC1 ZINC000020179058 171044606 /nfs/dbraw/zinc/04/46/06/171044606.db2.gz NICYJZVUQYVQIH-CQSZACIVSA-N 1 0 268.788 2.044 10 0 CEAERO CCOc1cc2c(cc1C[NH2+][C@@H](CC)CO)O[C@H](C)C2 ZINC000020194373 171060147 /nfs/dbraw/zinc/06/01/47/171060147.db2.gz OWQWLIXHWNUUBE-RISCZKNCSA-N 1 0 279.380 2.269 10 0 CEAERO CC(=O)c1cc(F)ccc1N1CCC[N@@H+](C)CC1 ZINC000020217759 171080918 /nfs/dbraw/zinc/08/09/18/171080918.db2.gz LEYBNQSOTCUNSR-UHFFFAOYSA-N 1 0 250.317 2.170 10 0 CEAERO CCCC(=O)N(CCC[NH3+])c1ccc(OC)cc1 ZINC000020233720 171095229 /nfs/dbraw/zinc/09/52/29/171095229.db2.gz IXNKHPWSIWQXDL-UHFFFAOYSA-N 1 0 250.342 2.177 10 0 CEAERO CCCNC(=O)[C@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC000020305603 171142197 /nfs/dbraw/zinc/14/21/97/171142197.db2.gz QCUGFYNUTBZWHJ-JTQLQIEISA-N 1 0 254.761 2.344 10 0 CEAERO Cc1sc2nc(C)nc(NCCC[NH3+])c2c1C ZINC000020323677 171150206 /nfs/dbraw/zinc/15/02/06/171150206.db2.gz RWGJUHOAMUUBKT-UHFFFAOYSA-N 1 0 250.371 2.377 10 0 CEAERO C[C@@H]([NH3+])c1ccc(O[C@H](C)C(=O)N2CCCC2)cc1 ZINC000020419318 171183592 /nfs/dbraw/zinc/18/35/92/171183592.db2.gz ODTJCCUITAXUTM-VXGBXAGGSA-N 1 0 262.353 2.096 10 0 CEAERO CCCCNC(=O)[C@@H](C)Oc1ccc([C@H](C)[NH3+])cc1 ZINC000020419276 171183717 /nfs/dbraw/zinc/18/37/17/171183717.db2.gz XDXQOWBQUAUZPO-NWDGAFQWSA-N 1 0 264.369 2.390 10 0 CEAERO CC[C@H](C)NC(=O)[C@H](C)Oc1ccc([C@@H](C)[NH3+])cc1 ZINC000020419287 171184038 /nfs/dbraw/zinc/18/40/38/171184038.db2.gz KBLXAMJPLRRPBV-TUAOUCFPSA-N 1 0 264.369 2.388 10 0 CEAERO CC(C)CCCO[C@@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000020511626 171231289 /nfs/dbraw/zinc/23/12/89/171231289.db2.gz CJKZKSJWFFFAMG-QWHCGFSZSA-N 1 0 257.374 2.062 10 0 CEAERO CCC(CC)[C@H](C[NH2+]Cc1cccn1C)N(C)C ZINC000020520791 171234173 /nfs/dbraw/zinc/23/41/73/171234173.db2.gz KPVMHYCYCZMZHY-HNNXBMFYSA-N 1 0 251.418 2.481 10 0 CEAERO CCN1CC[N@H+](Cc2ccc(C)s2)CCC1=O ZINC000020779677 171272267 /nfs/dbraw/zinc/27/22/67/171272267.db2.gz YJMGVRHCWAHTQI-UHFFFAOYSA-N 1 0 252.383 2.111 10 0 CEAERO CCOc1cc(C[NH2+][C@@H](C)CC)ccc1OCCO ZINC000020934661 171281201 /nfs/dbraw/zinc/28/12/01/171281201.db2.gz GAKYRLVHQQBNQJ-LBPRGKRZSA-N 1 0 267.369 2.345 10 0 CEAERO CCC[NH2+]C[C@H](O)COc1ccc(O)c2ccccc12 ZINC000022061130 171351607 /nfs/dbraw/zinc/35/16/07/171351607.db2.gz VNEVYWUJEGCYPZ-LBPRGKRZSA-N 1 0 275.348 2.285 10 0 in-vitro CEAERO [NH3+]Cc1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000022147730 171357308 /nfs/dbraw/zinc/35/73/08/171357308.db2.gz JIDVFUBRZIDATI-UHFFFAOYSA-N 1 0 280.324 2.085 10 0 CEAERO CC[NH+](CC)CCCC(=O)Nc1cc(N)ccc1F ZINC000022151733 171359051 /nfs/dbraw/zinc/35/90/51/171359051.db2.gz NPRBAJWWSBWSJL-UHFFFAOYSA-N 1 0 267.348 2.468 10 0 CEAERO [NH3+]Cc1ccc(OCC(=O)N2CCc3ccccc32)cc1 ZINC000022175864 171370369 /nfs/dbraw/zinc/37/03/69/171370369.db2.gz AGXYSAFHIOWRNL-UHFFFAOYSA-N 1 0 282.343 2.113 10 0 CEAERO CCC[NH+]1CCN(C(=O)c2ccc(Cl)c(N)c2)CC1 ZINC000022222768 171379331 /nfs/dbraw/zinc/37/93/31/171379331.db2.gz BPEMYBZZKWCQFY-UHFFFAOYSA-N 1 0 281.787 2.090 10 0 CEAERO CC[NH+](CC)C[C@H](N)c1ccc2c(c1)OCCCO2 ZINC000023070061 171409990 /nfs/dbraw/zinc/40/99/90/171409990.db2.gz CZDKMWUFCRLCEH-ZDUSSCGKSA-N 1 0 264.369 2.190 10 0 CEAERO COc1cc([C@H](O)C[NH2+]C(C)(C)C)cc(OC)c1OC ZINC000032128930 171714329 /nfs/dbraw/zinc/71/43/29/171714329.db2.gz BNDFZIWTIBKAQS-LLVKDONJSA-N 1 0 283.368 2.134 10 0 CEAERO [NH3+]C[C@@H](c1ccncc1)N1CCc2ccccc2C1 ZINC000033435427 171796437 /nfs/dbraw/zinc/79/64/37/171796437.db2.gz CPTZTHBMGBSJAB-INIZCTEOSA-N 1 0 253.349 2.140 10 0 CEAERO COC[C@H](C)[NH2+]Cc1cccc(OC)c1OC(F)F ZINC000035161343 172020561 /nfs/dbraw/zinc/02/05/61/172020561.db2.gz UHAPLHLEKQRXDO-VIFPVBQESA-N 1 0 275.295 2.421 10 0 CEAERO C[C@H](Cn1ccnc1)[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000035275220 172095515 /nfs/dbraw/zinc/09/55/15/172095515.db2.gz WGXOKMUKEYYJAB-CQSZACIVSA-N 1 0 281.363 2.247 10 0 CEAERO Cc1ccc(OCC(=O)NC2CCCC2)c([C@@H](C)[NH3+])c1 ZINC000035629388 172310257 /nfs/dbraw/zinc/31/02/57/172310257.db2.gz VXQGVDZFUKSDSS-GFCCVEGCSA-N 1 0 276.380 2.452 10 0 CEAERO CCCCNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC)cc1 ZINC000035633206 172316112 /nfs/dbraw/zinc/31/61/12/172316112.db2.gz OLUXBFYGSXLLJK-LBPRGKRZSA-N 1 0 284.425 2.436 10 0 CEAERO CCC(CC)NS(=O)(=O)c1cccc([C@H](C)[NH2+]C)c1 ZINC000035632910 172316248 /nfs/dbraw/zinc/31/62/48/172316248.db2.gz LPSLJJQVRYHJBJ-NSHDSACASA-N 1 0 284.425 2.434 10 0 CEAERO CCN(C(C)C)S(=O)(=O)c1ccc([C@@H](C)[NH2+]C)cc1 ZINC000035633752 172317484 /nfs/dbraw/zinc/31/74/84/172317484.db2.gz LEFKLFFXSAGKMV-GFCCVEGCSA-N 1 0 284.425 2.386 10 0 CEAERO COc1ccc(Cn2ccnc2C[NH2+]C(C)C)cc1 ZINC000035636839 172320471 /nfs/dbraw/zinc/32/04/71/172320471.db2.gz VCIPGXYLXIKKLW-UHFFFAOYSA-N 1 0 259.353 2.438 10 0 CEAERO COCCSCCc1[nH]c2ccc(N)cc2[nH+]1 ZINC000035659218 172335026 /nfs/dbraw/zinc/33/50/26/172335026.db2.gz DBKWENLNJDKXBO-UHFFFAOYSA-N 1 0 251.355 2.067 10 0 CEAERO O=S1(=O)C[C@H]([NH2+]CC2CCCC2)c2ccccc21 ZINC000035688454 172356487 /nfs/dbraw/zinc/35/64/87/172356487.db2.gz RRUQNYPDGYIYGR-ZDUSSCGKSA-N 1 0 265.378 2.295 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)c1ccncc1 ZINC000035693592 172362235 /nfs/dbraw/zinc/36/22/35/172362235.db2.gz ORPNXKMOTXVDCW-UNQGMJICSA-N 1 0 273.380 2.180 10 0 CEAERO [NH3+]C[C@H]1CCCCC[C@@H]1Sc1nnnn1C1CC1 ZINC000035724229 172379446 /nfs/dbraw/zinc/37/94/46/172379446.db2.gz ZOJDICDVZQBPID-KOLCDFICSA-N 1 0 267.402 2.008 10 0 CEAERO COc1ccc(Cl)cc1[C@H](O)[C@H]1CCC[NH2+]C1 ZINC000036172746 172492105 /nfs/dbraw/zinc/49/21/05/172492105.db2.gz QAKPBULBCBFSAM-TVQRCGJNSA-N 1 0 255.745 2.382 10 0 CEAERO CC[C@@H](C)C[C@@H](CC)[NH2+]C1CCS(=O)(=O)CC1 ZINC000036331466 172615819 /nfs/dbraw/zinc/61/58/19/172615819.db2.gz SZTQTUCNAYTUMI-VXGBXAGGSA-N 1 0 261.431 2.368 10 0 CEAERO CCCN(CCC[NH3+])C(=O)c1ccc(F)c(F)c1 ZINC000036731212 172662644 /nfs/dbraw/zinc/66/26/44/172662644.db2.gz OLGWRSVROQZMHM-UHFFFAOYSA-N 1 0 256.296 2.166 10 0 CEAERO C[NH2+]Cc1c(N(C)[C@@H](C)C2CC2)nc2sccn12 ZINC000036786020 172702872 /nfs/dbraw/zinc/70/28/72/172702872.db2.gz OFBPFCNJXIATDT-VIFPVBQESA-N 1 0 264.398 2.350 10 0 CEAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCNC2=O)CC(C)(C)C1 ZINC000036977116 172843448 /nfs/dbraw/zinc/84/34/48/172843448.db2.gz ASOFCYMQHQIHEZ-JHJVBQTASA-N 1 0 252.402 2.460 10 0 CEAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CCCc2c1cnn2C ZINC000037167332 173001229 /nfs/dbraw/zinc/00/12/29/173001229.db2.gz ZJDUAKFNNYBPGC-HIFRSBDPSA-N 1 0 278.444 2.363 10 0 CEAERO Cc1ccc([C@@H](C[NH3+])N(C)[C@@H]2CCSC2)cc1 ZINC000037174482 173008242 /nfs/dbraw/zinc/00/82/42/173008242.db2.gz MKPHPVJRMAGFOC-ZIAGYGMSSA-N 1 0 250.411 2.432 10 0 CEAERO CC[C@H]1CN([C@@H](C[NH3+])c2ccc(C)c(C)c2)CCO1 ZINC000037180129 173012616 /nfs/dbraw/zinc/01/26/16/173012616.db2.gz JQLOTVIBVYWHSY-HOTGVXAUSA-N 1 0 262.397 2.414 10 0 CEAERO CC(C)C[C@@H](C)[NH2+]Cc1nc2ccccc2c(=O)[nH]1 ZINC000037264724 173073552 /nfs/dbraw/zinc/07/35/52/173073552.db2.gz KGUWSJHENUHGKU-LLVKDONJSA-N 1 0 259.353 2.447 10 0 CEAERO COc1ccccc1N(CCC[NH3+])C(=O)[C@@H]1C[C@H]1C ZINC000037298181 173101802 /nfs/dbraw/zinc/10/18/02/173101802.db2.gz IOCVKVFPTYRTJK-VXGBXAGGSA-N 1 0 262.353 2.033 10 0 CEAERO C[NH+](C)CCNc1ccc(C(N)=S)c(C(F)(F)F)c1 ZINC000037306527 173110644 /nfs/dbraw/zinc/11/06/44/173110644.db2.gz RJQIZYPRJQZWRT-UHFFFAOYSA-N 1 0 291.342 2.313 10 0 CEAERO CCN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1scnc1C ZINC000037315830 173116415 /nfs/dbraw/zinc/11/64/15/173116415.db2.gz JCMKMPCUSZTCTJ-GHMZBOCLSA-N 1 0 269.414 2.359 10 0 CEAERO O=C(Nc1ccccc1OC(F)F)[C@@H]1CCC[NH2+]C1 ZINC000037328078 173128845 /nfs/dbraw/zinc/12/88/45/173128845.db2.gz DDPZTZRRHAHBFJ-SECBINFHSA-N 1 0 270.279 2.226 10 0 CEAERO [NH3+][C@H]1C[C@H]1c1cc(Br)c2c(c1)OCCCO2 ZINC000037381755 173168080 /nfs/dbraw/zinc/16/80/80/173168080.db2.gz ORSRVWFSXGMYDJ-WPRPVWTQSA-N 1 0 284.153 2.425 10 0 CEAERO O=C(C[NH2+]C1CCCC1)N1CCc2ccccc2C1 ZINC000037387050 173170907 /nfs/dbraw/zinc/17/09/07/173170907.db2.gz JIOWTLZJMRPXJL-UHFFFAOYSA-N 1 0 258.365 2.104 10 0 CEAERO C[C@H]1[C@H](NC(=O)C[NH2+]C2CCCC2)CCC[C@@H]1C ZINC000037387055 173171032 /nfs/dbraw/zinc/17/10/32/173171032.db2.gz SOJDYRSXQFDSSY-OUCADQQQSA-N 1 0 252.402 2.460 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000037395347 173175853 /nfs/dbraw/zinc/17/58/53/173175853.db2.gz STBSWTXPXGAWHR-MRVPVSSYSA-N 1 0 284.743 2.395 10 0 CEAERO CO[C@H]1C[NH2+][C@H](c2nc3c(cccc3Cl)[nH]2)C1 ZINC000037443847 173212144 /nfs/dbraw/zinc/21/21/44/173212144.db2.gz CCQIBJVIMAXOIU-XCBNKYQSSA-N 1 0 251.717 2.266 10 0 CEAERO CC(C)[NH2+][C@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000037446544 173213522 /nfs/dbraw/zinc/21/35/22/173213522.db2.gz VAEPNPKXUZCGAE-LBPRGKRZSA-N 1 0 274.286 2.404 10 0 CEAERO C[C@H]([NH3+])CC(=O)Nc1ccccc1Br ZINC000037475868 173227756 /nfs/dbraw/zinc/22/77/56/173227756.db2.gz UVVMMAWEKJUCJY-ZETCQYMHSA-N 1 0 257.131 2.125 10 0 CEAERO Cc1cc(N2CC[C@@H]([NH3+])C2)ccc1Br ZINC000037483397 173228483 /nfs/dbraw/zinc/22/84/83/173228483.db2.gz VHZUCQQPHJTEEE-SECBINFHSA-N 1 0 255.159 2.295 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)N(C)Cc1ccc(OC)c(OC)c1 ZINC000037493551 173233940 /nfs/dbraw/zinc/23/39/40/173233940.db2.gz QMYIZIZTJOMQCM-LBPRGKRZSA-N 1 0 294.395 2.050 10 0 CEAERO CCC[NH2+][C@](C)(C(N)=O)c1ccc(SC)cc1 ZINC000037513893 173245255 /nfs/dbraw/zinc/24/52/55/173245255.db2.gz ORIZIFNMFZQNQE-ZDUSSCGKSA-N 1 0 252.383 2.109 10 0 CEAERO C[C@@H]([NH3+])Cc1cc(Cl)cc(Cl)c1O[C@H](C)C(N)=O ZINC000037728987 173648563 /nfs/dbraw/zinc/64/85/63/173648563.db2.gz OJNYOJRKLSDSGU-RNFRBKRXSA-N 1 0 291.178 2.136 10 0 CEAERO CCC(CC)[C@@H](CN[C@@H](C)c1cc[nH]n1)[NH+](C)C ZINC000037906983 173838818 /nfs/dbraw/zinc/83/88/18/173838818.db2.gz OIFJNAMBIYCHND-SMDDNHRTSA-N 1 0 252.406 2.427 10 0 CEAERO CC[NH2+]CCCNc1ccc(C(F)(F)F)cc1C(N)=O ZINC000038043407 174049721 /nfs/dbraw/zinc/04/97/21/174049721.db2.gz UVTSRXYYVDLJIN-UHFFFAOYSA-N 1 0 289.301 2.216 10 0 CEAERO c1ccc(CN2CC[C@H]([NH2+]C[C@@H]3CCCOC3)C2)cc1 ZINC000038044564 174052341 /nfs/dbraw/zinc/05/23/41/174052341.db2.gz IKGSWUHIGGAQTL-IRXDYDNUSA-N 1 0 274.408 2.277 10 0 CEAERO CCn1c2ccccc2nc1CNC[C@@H]1CC[N@H+](C)C1 ZINC000038046859 174056096 /nfs/dbraw/zinc/05/60/96/174056096.db2.gz HPLMXUWLJDSIOP-ZDUSSCGKSA-N 1 0 272.396 2.098 10 0 CEAERO COc1ccc(CCC(=O)N[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000038049410 174060626 /nfs/dbraw/zinc/06/06/26/174060626.db2.gz KDXWFUKEVZJGHL-LSDHHAIUSA-N 1 0 276.380 2.014 10 0 CEAERO COc1ccccc1NC(=O)N[C@H]1CCCC[C@@H]1[NH3+] ZINC000038049860 174061220 /nfs/dbraw/zinc/06/12/20/174061220.db2.gz JGVRFUKEUHUXEM-QWRGUYRKSA-N 1 0 263.341 2.087 10 0 CEAERO CC(C)CN(CC(F)(F)F)C(=O)CC1CC[NH2+]CC1 ZINC000038075864 174086414 /nfs/dbraw/zinc/08/64/14/174086414.db2.gz UUASQGJYVXPFSS-UHFFFAOYSA-N 1 0 280.334 2.423 10 0 CEAERO CC[NH+]1CCC(NCc2c(C)nc3sccn23)CC1 ZINC000038098124 174113594 /nfs/dbraw/zinc/11/35/94/174113594.db2.gz OIBWJPQTSLNTTN-UHFFFAOYSA-N 1 0 278.425 2.278 10 0 CEAERO C[C@@H]([NH2+][C@@H](C)C(=O)NC1CC1)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000040176551 174201781 /nfs/dbraw/zinc/20/17/81/174201781.db2.gz IQDMBUXPNLTTQD-GHMOJZLGSA-N 1 0 250.386 2.068 10 0 CEAERO [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1 ZINC000040458634 174268719 /nfs/dbraw/zinc/26/87/19/174268719.db2.gz RRSCQPDXYDYSQI-AWEZNQCLSA-N 1 0 280.331 2.071 10 0 CEAERO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC[C@H]1c1ccncc1 ZINC000040487162 174289847 /nfs/dbraw/zinc/28/98/47/174289847.db2.gz LROZUGNCXKCKJX-XBFCOCLRSA-N 1 0 261.369 2.119 10 0 CEAERO Cc1cc(C)c(C[NH3+])c(Sc2nncs2)n1 ZINC000040509885 174303831 /nfs/dbraw/zinc/30/38/31/174303831.db2.gz COVPNOPXNFREFU-UHFFFAOYSA-N 1 0 252.368 2.160 10 0 CEAERO Cc1cc(C)c(C(N)=S)c(NCC(F)(F)F)[nH+]1 ZINC000040510160 174304076 /nfs/dbraw/zinc/30/40/76/174304076.db2.gz JGJXLDYYHZLNPB-UHFFFAOYSA-N 1 0 263.288 2.307 10 0 CEAERO CC[NH+](CC)C[C@H](O)CN[C@H](C)c1sc(C)nc1C ZINC000040518536 174308074 /nfs/dbraw/zinc/30/80/74/174308074.db2.gz FGEKGJVSCHSOHD-ZWNOBZJWSA-N 1 0 285.457 2.113 10 0 CEAERO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)c1sc(C)nc1C ZINC000040519000 174308588 /nfs/dbraw/zinc/30/85/88/174308588.db2.gz BFHLVTYFJPKOKD-ARENWVFISA-N 1 0 269.414 2.311 10 0 CEAERO Cc1nc(C)c([C@@H](C)NC(=O)CC[NH2+]C(C)C)s1 ZINC000040519128 174308625 /nfs/dbraw/zinc/30/86/25/174308625.db2.gz SLCJZHSFJUOBLB-SNVBAGLBSA-N 1 0 269.414 2.325 10 0 CEAERO Cc1nc(C)c([C@H](C)[NH2+]CC(=O)N2CCCC2)s1 ZINC000040518803 174308747 /nfs/dbraw/zinc/30/87/47/174308747.db2.gz NOOCJJGTTZRHNH-VIFPVBQESA-N 1 0 267.398 2.033 10 0 CEAERO C[NH2+]C[C@@H]1CCCN(C(=O)Nc2ccccc2OC)C1 ZINC000040596586 174348870 /nfs/dbraw/zinc/34/88/70/174348870.db2.gz CAXHUFCQAWVHEC-LBPRGKRZSA-N 1 0 277.368 2.159 10 0 CEAERO C[NH2+]C[C@H]1CCCN(Cc2cc(C(C)=O)ccc2OC)C1 ZINC000040600942 174351072 /nfs/dbraw/zinc/35/10/72/174351072.db2.gz IFTBQNSIRQTRSY-CQSZACIVSA-N 1 0 290.407 2.329 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000040630289 174358031 /nfs/dbraw/zinc/35/80/31/174358031.db2.gz SZVGOPNOSPEPJS-KWQFWETISA-N 1 0 289.162 2.309 10 0 CEAERO CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC[C@@H]2c2ccccc2C)C1 ZINC000040636067 174361435 /nfs/dbraw/zinc/36/14/35/174361435.db2.gz IOCIISUOMVUPAT-NUEKZKHPSA-N 1 0 288.391 2.035 10 0 CEAERO CO[C@@H]1C[NH2+][C@@H](c2nc(-c3ccccc3C)c[nH]2)C1 ZINC000040637844 174362038 /nfs/dbraw/zinc/36/20/38/174362038.db2.gz IWWHVBKSEFUFMV-WCQYABFASA-N 1 0 257.337 2.435 10 0 CEAERO CCOc1ccc(C[NH2+]CCc2nccn2C)cc1 ZINC000040638527 174363048 /nfs/dbraw/zinc/36/30/48/174363048.db2.gz SSQPCTNBIXYNPM-UHFFFAOYSA-N 1 0 259.353 2.151 10 0 CEAERO C[C@@H]([NH2+]CCc1nccn1C)c1ccc2c(c1)CCO2 ZINC000040639289 174363524 /nfs/dbraw/zinc/36/35/24/174363524.db2.gz OXADXAWOOACDJQ-GFCCVEGCSA-N 1 0 271.364 2.248 10 0 CEAERO C[C@@H](NCc1cccc2c1OCO2)[C@@H]1CCC[N@H+](C)C1 ZINC000040667117 174366308 /nfs/dbraw/zinc/36/63/08/174366308.db2.gz UIGPRUDLOKWPHC-TZMCWYRMSA-N 1 0 276.380 2.235 10 0 CEAERO C[C@H]1CCC[C@@](C[NH2+][C@@H]2CN3CCC2CC3)(N(C)C)C1 ZINC000040668651 174367465 /nfs/dbraw/zinc/36/74/65/174367465.db2.gz FFAJFPSYCMKZQP-USXIJHARSA-N 1 0 279.472 2.181 10 0 CEAERO CCOC1CC[NH+]([C@]2(CN)CCC[C@@H](C)C2)CC1 ZINC000040689153 174375634 /nfs/dbraw/zinc/37/56/34/174375634.db2.gz UCSYXLSHIZQUOY-UKRRQHHQSA-N 1 0 254.418 2.395 10 0 CEAERO CC(C)(C)NNc1[nH+]cnc(N2CCc3ccccc32)c1N ZINC000040687420 174375771 /nfs/dbraw/zinc/37/57/71/174375771.db2.gz YXNZYTCODOUCTI-UHFFFAOYSA-N 1 0 298.394 2.468 10 0 CEAERO CCOC1CCN([C@@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000040689111 174376018 /nfs/dbraw/zinc/37/60/18/174376018.db2.gz DDPRDDYWEMGCLZ-INIZCTEOSA-N 1 0 278.396 2.196 10 0 CEAERO CCn1c2ccc(Cl)cc2nc1[C@H]([NH3+])CCO ZINC000040710308 174380678 /nfs/dbraw/zinc/38/06/78/174380678.db2.gz LZWAZAGLCRNNJM-SECBINFHSA-N 1 0 253.733 2.092 10 0 CEAERO COc1ccc(OC)c([C@H](C[NH3+])N2CC[C@@H](C)C2)c1 ZINC000040717601 174384989 /nfs/dbraw/zinc/38/49/89/174384989.db2.gz WEKHWPGRQKOLPE-RISCZKNCSA-N 1 0 264.369 2.045 10 0 CEAERO Cc1cc(N(CCC[NH3+])c2cccc(F)c2)ncn1 ZINC000040726842 174387320 /nfs/dbraw/zinc/38/73/20/174387320.db2.gz IINHXXGRYBSFHK-UHFFFAOYSA-N 1 0 260.316 2.411 10 0 CEAERO c1cc2c(ncnc2NC2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000040746378 174391269 /nfs/dbraw/zinc/39/12/69/174391269.db2.gz GXHSXYCNTNIMRX-ULKQDVFKSA-N 1 0 260.366 2.386 10 0 CEAERO CCN(CC(=O)N(C(C)C)C(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748204 174393230 /nfs/dbraw/zinc/39/32/30/174393230.db2.gz UGKLTRUOXIMEFA-XYPWUTKMSA-N 1 0 295.471 2.237 10 0 CEAERO Cc1ccc(CC(=O)N2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040749515 174394409 /nfs/dbraw/zinc/39/44/09/174394409.db2.gz IELGTLDPBOKYBI-GOOCMWNKSA-N 1 0 258.365 2.018 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccc(Cl)cc1 ZINC000040749956 174394663 /nfs/dbraw/zinc/39/46/63/174394663.db2.gz RMGHADBRUUYWBT-QXMXGUDHSA-N 1 0 293.798 2.233 10 0 CEAERO Nc1cc(C(=O)NCC[NH+]2CCCCCC2)c(F)cc1F ZINC000040766990 174398179 /nfs/dbraw/zinc/39/81/79/174398179.db2.gz FCECCOVOTLSADE-UHFFFAOYSA-N 1 0 297.349 2.153 10 0 CEAERO CC(C)C[C@H](CNC(=O)c1cc(F)ccc1N)[NH+](C)C ZINC000040831322 174413156 /nfs/dbraw/zinc/41/31/56/174413156.db2.gz DBGZJKIOQXOOEY-GFCCVEGCSA-N 1 0 281.375 2.114 10 0 CEAERO C[C@H](NC(=O)c1ccccc1CC[NH3+])C1CCCC1 ZINC000070542472 414771358 /nfs/dbraw/zinc/77/13/58/414771358.db2.gz IJNLEYGLBLSFQE-LBPRGKRZSA-N 1 0 260.381 2.496 10 0 CEAERO COc1cc(C)ccc1OCCC(=O)[C@H]1CCC[NH2+]1 ZINC000041356574 174534326 /nfs/dbraw/zinc/53/43/26/174534326.db2.gz LXEGLWYMTRNFCM-GFCCVEGCSA-N 1 0 263.337 2.094 10 0 CEAERO CC[NH+](CC)C[C@H](C)NC(=O)C1(C(N)=S)CCCCC1 ZINC000041680967 174604238 /nfs/dbraw/zinc/60/42/38/174604238.db2.gz YQCTZTVXRPKETJ-LBPRGKRZSA-N 1 0 299.484 2.070 10 0 CEAERO CCOCCNC(=O)Nc1ccc([C@@H](C)[NH2+]C)cc1 ZINC000041707726 174610804 /nfs/dbraw/zinc/61/08/04/174610804.db2.gz CXSMPLAIAGEDLO-LLVKDONJSA-N 1 0 265.357 2.125 10 0 CEAERO C[C@@H]([NH3+])c1cccc(NC(=O)NCCc2ccncc2)c1 ZINC000041717274 174615714 /nfs/dbraw/zinc/61/57/14/174615714.db2.gz WYPFSIFRPSMFRQ-GFCCVEGCSA-N 1 0 284.363 2.466 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1snnc1C ZINC000311832383 414863260 /nfs/dbraw/zinc/86/32/60/414863260.db2.gz PHTQLZYIKRHENV-CHWSQXEVSA-N 1 0 280.441 2.295 10 0 CEAERO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1snnc1C ZINC000311832386 414863486 /nfs/dbraw/zinc/86/34/86/414863486.db2.gz PHTQLZYIKRHENV-STQMWFEESA-N 1 0 280.441 2.295 10 0 CEAERO C[C@@H]1CCCC[C@@H]1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246779064 287293444 /nfs/dbraw/zinc/29/34/44/287293444.db2.gz BDTMFKPRDAJRKZ-KBXIAJHMSA-N 1 0 279.428 2.443 10 0 CEAERO C[C@H]([NH2+]CC(=O)N1CCCC1)c1cccc(F)c1 ZINC000042213613 174658947 /nfs/dbraw/zinc/65/89/47/174658947.db2.gz ZWGLEZCJPWYGIQ-NSHDSACASA-N 1 0 250.317 2.099 10 0 CEAERO CCCc1nccnc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000663396495 414941139 /nfs/dbraw/zinc/94/11/39/414941139.db2.gz CGJQPHXRFUCLOM-OLZOCXBDSA-N 1 0 260.385 2.468 10 0 CEAERO C[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@H]1CCCO1 ZINC000042325824 174685640 /nfs/dbraw/zinc/68/56/40/174685640.db2.gz JDRLDJHIVVRGFF-WCQYABFASA-N 1 0 297.443 2.162 10 0 CEAERO COCc1csc(C[NH2+]CCn2cc(C)cn2)c1 ZINC000657353276 414879941 /nfs/dbraw/zinc/87/99/41/414879941.db2.gz PQFIFUOIPABNIW-UHFFFAOYSA-N 1 0 265.382 2.189 10 0 CEAERO COCCC[N@H+](CCOC)[C@H](C)c1ccc(N)cc1 ZINC000042408324 174713869 /nfs/dbraw/zinc/71/38/69/174713869.db2.gz YIXGAFWHSWMQHG-CYBMUJFWSA-N 1 0 266.385 2.315 10 0 CEAERO CN(Cc1cccs1)C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653058543 414892651 /nfs/dbraw/zinc/89/26/51/414892651.db2.gz YNBUMKNTGBJUDQ-NXEZZACHSA-N 1 0 292.326 2.104 10 0 CEAERO Cc1c[nH]c(C[NH2+][C@@H](C)COCc2ccccc2)n1 ZINC000657377768 414897732 /nfs/dbraw/zinc/89/77/32/414897732.db2.gz GAVCYJMFXFEEOX-ZDUSSCGKSA-N 1 0 259.353 2.413 10 0 CEAERO C[C@@H]1CCC[C@H](CNC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653078829 414899147 /nfs/dbraw/zinc/89/91/47/414899147.db2.gz KMXFEKWUUIZJMV-WRWGMCAJSA-N 1 0 292.345 2.327 10 0 CEAERO Cc1nc2ccccc2nc1NCC12CC(C1)C[NH2+]2 ZINC000663273788 414900362 /nfs/dbraw/zinc/90/03/62/414900362.db2.gz IQYLVRNZHZFIHJ-UHFFFAOYSA-N 1 0 254.337 2.102 10 0 CEAERO CC(C)N(CC1CC1)C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653447086 414996405 /nfs/dbraw/zinc/99/64/05/414996405.db2.gz ITDPALDYSMOFTH-GHMZBOCLSA-N 1 0 278.318 2.031 10 0 CEAERO CC(C)C[C@@H](CNC(=O)c1cccnc1)[NH+]1CCCC1 ZINC000042560207 174795782 /nfs/dbraw/zinc/79/57/82/174795782.db2.gz XPRXJBIAHCPHSJ-HNNXBMFYSA-N 1 0 275.396 2.322 10 0 CEAERO C[C@H]1CC(C[NH2+]Cc2cnc3n2CCC3)C[C@H](C)O1 ZINC000657458921 414948900 /nfs/dbraw/zinc/94/89/00/414948900.db2.gz RBLMSMIEJYYTCD-RYUDHWBXSA-N 1 0 263.385 2.123 10 0 CEAERO CN1C[C@@H](C[NH2+]Cc2cccc(C(F)(F)F)c2)CC1=O ZINC000657693394 415048751 /nfs/dbraw/zinc/04/87/51/415048751.db2.gz BNLCNARWEDGMDB-LLVKDONJSA-N 1 0 286.297 2.273 10 0 CEAERO Cc1c(C[NH2+][C@H]2CCc3ccc(O)cc32)cnn1C ZINC000657693019 415049561 /nfs/dbraw/zinc/04/95/61/415049561.db2.gz IDSSAJQYCPMBBN-HNNXBMFYSA-N 1 0 257.337 2.211 10 0 CEAERO CN1C[C@@H](C[NH2+]Cc2ccccc2Br)CC1=O ZINC000657694337 415051249 /nfs/dbraw/zinc/05/12/49/415051249.db2.gz KDDCVFRVBIZGKJ-SNVBAGLBSA-N 1 0 297.196 2.017 10 0 CEAERO CC(C)[C@H](C[NH2+]C[C@@H]1CC(=O)N(C)C1)c1ccccc1 ZINC000657694786 415051352 /nfs/dbraw/zinc/05/13/52/415051352.db2.gz GKPWKFJIPRQPBC-HOCLYGCPSA-N 1 0 274.408 2.494 10 0 CEAERO CC[NH2+]Cc1c(Cl)cccc1N(CC(N)=O)CC(C)C ZINC000042691784 174839928 /nfs/dbraw/zinc/83/99/28/174839928.db2.gz KUNARAFDHRTHRN-UHFFFAOYSA-N 1 0 297.830 2.397 10 0 CEAERO CN(Cc1cscn1)C1(C[NH3+])Cc2ccccc2C1 ZINC000042862615 174893992 /nfs/dbraw/zinc/89/39/92/174893992.db2.gz VBJXHSDQUAATEB-UHFFFAOYSA-N 1 0 273.405 2.071 10 0 CEAERO COc1ccccc1[C@@H](C[NH3+])N(C)Cc1cscn1 ZINC000042864134 174894541 /nfs/dbraw/zinc/89/45/41/174894541.db2.gz XDTDAMAZOOIWAW-CYBMUJFWSA-N 1 0 277.393 2.284 10 0 CEAERO C[C@H]1CN(c2nccc3c(N)cccc32)C[C@@H]1[NH+](C)C ZINC000663710495 415024996 /nfs/dbraw/zinc/02/49/96/415024996.db2.gz UHOUORZBTZUXJV-NHYWBVRUSA-N 1 0 270.380 2.203 10 0 CEAERO C[C@@H]([NH3+])[C@@H](Sc1nnnn1C1CC1)c1ccccc1 ZINC000042904642 174907427 /nfs/dbraw/zinc/90/74/27/174907427.db2.gz PPXASFQOWFYXEO-BXKDBHETSA-N 1 0 275.381 2.189 10 0 CEAERO COc1ccc([C@@H]([C@H](C)[NH3+])n2nc(C)cc2C)cc1 ZINC000042962274 174927095 /nfs/dbraw/zinc/92/70/95/174927095.db2.gz RWJAXTGAQLFWJH-SWLSCSKDSA-N 1 0 259.353 2.445 10 0 CEAERO COc1ccccc1[C@@H]([C@H](C)[NH3+])N1CCOC(C)(C)C1 ZINC000043097660 174965908 /nfs/dbraw/zinc/96/59/08/174965908.db2.gz QOUZRGMRKAVGCG-SWLSCSKDSA-N 1 0 278.396 2.194 10 0 CEAERO C[C@H]([NH3+])[C@H](c1cccs1)N1CCOCC1(C)C ZINC000043105477 174970255 /nfs/dbraw/zinc/97/02/55/174970255.db2.gz AWCXYWPWYBQZQI-CMPLNLGQSA-N 1 0 254.399 2.247 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1nc[nH]n1)c1cccs1 ZINC000043112599 174974371 /nfs/dbraw/zinc/97/43/71/174974371.db2.gz GOQYZNPLKQKCAN-VXNVDRBHSA-N 1 0 254.384 2.437 10 0 CEAERO CCOc1ccccc1O[C@@H](c1cnn(C)c1)[C@H](C)[NH3+] ZINC000043233469 174986152 /nfs/dbraw/zinc/98/61/52/174986152.db2.gz IFVMXVCOZVTQJW-XHDPSFHLSA-N 1 0 275.352 2.286 10 0 CEAERO C[NH2+][C@H](c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043300267 175000891 /nfs/dbraw/zinc/00/08/91/175000891.db2.gz POEOQSUZTHXCNW-CMPLNLGQSA-N 1 0 273.785 2.035 10 0 CEAERO CCCCC[C@@H]([NH2+]CCC)[C@@H]1CCS(=O)(=O)C1 ZINC000043301416 175002084 /nfs/dbraw/zinc/00/20/84/175002084.db2.gz CAWASYISNPXUTH-CHWSQXEVSA-N 1 0 261.431 2.370 10 0 CEAERO CCC[NH2+][C@H](c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043301174 175002186 /nfs/dbraw/zinc/00/21/86/175002186.db2.gz VVDCHLJIVUSFNB-TZMCWYRMSA-N 1 0 285.384 2.301 10 0 CEAERO CC[NH2+][C@H](c1cccc(C)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000043315519 175004940 /nfs/dbraw/zinc/00/49/40/175004940.db2.gz ZMSFVFQARNCYJD-ZFWWWQNUSA-N 1 0 281.421 2.389 10 0 CEAERO CCC[NH2+][C@@H]1CCN(c2cc(OC)ccc2Cl)C1=O ZINC000043318014 175005056 /nfs/dbraw/zinc/00/50/56/175005056.db2.gz KJXZDIWYTUPQMA-GFCCVEGCSA-N 1 0 282.771 2.454 10 0 CEAERO CC[NH2+][C@H]1CCN(c2cc(OC)ccc2Cl)C1=O ZINC000043318012 175005256 /nfs/dbraw/zinc/00/52/56/175005256.db2.gz BDUATCWRJQFYCR-NSHDSACASA-N 1 0 268.744 2.063 10 0 CEAERO COc1ccc(Cl)c(-n2nnc([C@H](C)[NH3+])c2C)c1 ZINC000043318452 175005763 /nfs/dbraw/zinc/00/57/63/175005763.db2.gz XRSRDFWPPCWXNA-ZETCQYMHSA-N 1 0 266.732 2.257 10 0 CEAERO CC(C)C(=O)Nc1ccc(N[C@H]2CCC[NH2+]C2)cc1 ZINC000043326054 175007537 /nfs/dbraw/zinc/00/75/37/175007537.db2.gz PDBLPHFGMKKRID-AWEZNQCLSA-N 1 0 261.369 2.445 10 0 CEAERO FC(F)(F)[C@@H]1CCCC[C@H]1N[C@@H]1CCC[NH2+]C1 ZINC000043326672 175008089 /nfs/dbraw/zinc/00/80/89/175008089.db2.gz YPOXULRGTISFJA-GMTAPVOTSA-N 1 0 250.308 2.449 10 0 CEAERO COCCOc1cc(C)ccc1N[C@H]1CCC[NH2+]C1 ZINC000043327238 175008662 /nfs/dbraw/zinc/00/86/62/175008662.db2.gz GFOMVENXGHGNSZ-ZDUSSCGKSA-N 1 0 264.369 2.184 10 0 CEAERO COc1ccc(O)c(C(=O)N(C)CC[C@@H]2CCCC[NH2+]2)c1 ZINC000043327795 175009206 /nfs/dbraw/zinc/00/92/06/175009206.db2.gz AAHLJHBFLDIPCC-LBPRGKRZSA-N 1 0 292.379 2.005 10 0 CEAERO CC[NH2+]C1CCC(NC(=O)c2cc(OC)ccc2O)CC1 ZINC000043327760 175009489 /nfs/dbraw/zinc/00/94/89/175009489.db2.gz DYJXNEHUKFZUKA-UHFFFAOYSA-N 1 0 292.379 2.051 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccco1)N(C)C[C@@H]1CCCO1 ZINC000043335726 175011553 /nfs/dbraw/zinc/01/15/53/175011553.db2.gz HJOMVIMIMILCNJ-OUCADQQQSA-N 1 0 252.358 2.169 10 0 CEAERO C[C@@H]([NH3+])[C@H](Oc1ccc(S(C)(=O)=O)cc1)c1ccco1 ZINC000043337840 175012417 /nfs/dbraw/zinc/01/24/17/175012417.db2.gz JUYAUPTXLIQEHN-YGRLFVJLSA-N 1 0 295.360 2.150 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccccn1)N(C)Cc1cccnc1 ZINC000043339252 175013232 /nfs/dbraw/zinc/01/32/32/175013232.db2.gz DJXYTMHCFFLJBP-ZBFHGGJFSA-N 1 0 270.380 2.387 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccccn1)N(C)[C@@H]1CCSC1 ZINC000043339153 175013370 /nfs/dbraw/zinc/01/33/70/175013370.db2.gz PGRBGHIIRFSKMI-DYEKYZERSA-N 1 0 265.426 2.297 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1nccc(=O)[nH]1)c1ccccn1 ZINC000043344825 175016189 /nfs/dbraw/zinc/01/61/89/175016189.db2.gz DZXZRGYKBDZELC-CABZTGNLSA-N 1 0 276.365 2.148 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cccnc1)N(CCOC)CC(C)C ZINC000043347902 175017975 /nfs/dbraw/zinc/01/79/75/175017975.db2.gz HQSSGNXAXNNWBB-CVEARBPZSA-N 1 0 279.428 2.464 10 0 CEAERO [NH3+]C[C@H](c1cccnc1)n1ccnc1-c1ccccc1 ZINC000043348934 175019142 /nfs/dbraw/zinc/01/91/42/175019142.db2.gz FEOFEXQZUQSVEX-OAHLLOKOSA-N 1 0 264.332 2.493 10 0 CEAERO Cc1cnc(S[C@H](c2cccnc2)[C@H](C)[NH3+])nc1 ZINC000043352845 175020074 /nfs/dbraw/zinc/02/00/74/175020074.db2.gz DBPYBHYCTANTNC-JQWIXIFHSA-N 1 0 260.366 2.361 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccncc1)N(C)CCc1ccccn1 ZINC000043353160 175020139 /nfs/dbraw/zinc/02/01/39/175020139.db2.gz HWLJIHKWHHEPHG-IRXDYDNUSA-N 1 0 284.407 2.430 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccncc1)N(C)[C@@H]1CCSC1 ZINC000043353367 175020743 /nfs/dbraw/zinc/02/07/43/175020743.db2.gz OFTGXNZPFPXGCQ-HZSPNIEDSA-N 1 0 265.426 2.297 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccncc1)N(CCO)C1CCCC1 ZINC000043354627 175022286 /nfs/dbraw/zinc/02/22/86/175022286.db2.gz KWMPFWARSJDPQN-HOTGVXAUSA-N 1 0 277.412 2.097 10 0 CEAERO CC[C@H]([NH3+])[C@H](OC1CCOCC1)c1ccncc1 ZINC000043356326 175023505 /nfs/dbraw/zinc/02/35/05/175023505.db2.gz YEUZVVVZBCTYBE-UONOGXRCSA-N 1 0 250.342 2.056 10 0 CEAERO C[C@H]([NH3+])[C@@H](OCCc1ccccn1)c1ccncc1 ZINC000043356054 175023666 /nfs/dbraw/zinc/02/36/66/175023666.db2.gz OHRAMZAKJAVUKL-SWLSCSKDSA-N 1 0 257.337 2.124 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1ncccn1)c1ccncc1 ZINC000043363281 175024019 /nfs/dbraw/zinc/02/40/19/175024019.db2.gz WBENPLVEEOZTLR-NEPJUHHUSA-N 1 0 260.366 2.442 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)N1CCN(CC)CC1 ZINC000043363781 175024234 /nfs/dbraw/zinc/02/42/34/175024234.db2.gz URGKFIYPMPKOBH-HIFRSBDPSA-N 1 0 265.401 2.004 10 0 CEAERO Cc1ccc([C@H]([C@H](C)[NH3+])N(CCCO)C(C)C)o1 ZINC000043365167 175026111 /nfs/dbraw/zinc/02/61/11/175026111.db2.gz UXVOMDBAECHDIZ-JSGCOSHPSA-N 1 0 254.374 2.069 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1nnnn1C1CC1)c1ccc(C)o1 ZINC000043367345 175027548 /nfs/dbraw/zinc/02/75/48/175027548.db2.gz LKKAEFBWTXKBTI-CMPLNLGQSA-N 1 0 293.396 2.480 10 0 CEAERO CC[C@H]([NH3+])[C@H](N(C)[C@@H]1CCSC1)C(F)(F)F ZINC000043377117 175030188 /nfs/dbraw/zinc/03/01/88/175030188.db2.gz SNYWJBZAWLFJDW-VGMNWLOBSA-N 1 0 256.337 2.092 10 0 CEAERO C[C@H]([NH3+])[C@@H](N(C)Cc1ccsc1)C(F)(F)F ZINC000043377230 175030208 /nfs/dbraw/zinc/03/02/08/175030208.db2.gz AKLLEFRSUODQCT-IONNQARKSA-N 1 0 252.305 2.458 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](N(CCO)C1CCCCC1)C(F)(F)F ZINC000043378985 175030960 /nfs/dbraw/zinc/03/09/60/175030960.db2.gz QFCFZCSYFNTTQE-VXGBXAGGSA-N 1 0 282.350 2.282 10 0 CEAERO CC(=O)Nc1ccccc1O[C@H]([C@@H](C)[NH3+])C(F)(F)F ZINC000043384024 175031232 /nfs/dbraw/zinc/03/12/32/175031232.db2.gz SKBNNQWWRHUOAV-RDDDGLTNSA-N 1 0 276.258 2.302 10 0 CEAERO CC[C@@H]([NH3+])[C@H](OC[C@@H]1CCCCO1)C(F)(F)F ZINC000043384315 175031507 /nfs/dbraw/zinc/03/15/07/175031507.db2.gz CIKXFDDMUSPYDR-AEJSXWLSSA-N 1 0 255.280 2.240 10 0 CEAERO CC[NH+](CC)CCN[C@H](CO)c1cc(C)cc(C)c1 ZINC000043395113 175035797 /nfs/dbraw/zinc/03/57/97/175035797.db2.gz GWEOTGMQHKGOOM-MRXNPFEDSA-N 1 0 264.413 2.268 10 0 CEAERO C[C@H](C1CC1)N(C)c1nc2c(cc1C(N)=[NH2+])CCC2 ZINC000043406576 175037095 /nfs/dbraw/zinc/03/70/95/175037095.db2.gz XGGJMYYCWZMICF-SECBINFHSA-N 1 0 258.369 2.089 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCNC1=O)c1cc2c(s1)CCCC2 ZINC000658052591 415174608 /nfs/dbraw/zinc/17/46/08/415174608.db2.gz MNNQOKWFUXAURN-GXSJLCMTSA-N 1 0 264.394 2.166 10 0 CEAERO CCn1c2ccc(Cl)cc2nc1[C@H]1C[NH2+]CCO1 ZINC000043705092 175099086 /nfs/dbraw/zinc/09/90/86/175099086.db2.gz WNHOBSUKIJQPAL-GFCCVEGCSA-N 1 0 265.744 2.371 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCNC1=O)c1cc(Br)cs1 ZINC000658053191 415176674 /nfs/dbraw/zinc/17/66/74/415176674.db2.gz UYSJZUCEJDPMDM-HTRCEHHLSA-N 1 0 289.198 2.050 10 0 CEAERO C[NH2+][C@@H](CN1CCCC1)c1ccc2c(c1)OCCCO2 ZINC000043807128 175108385 /nfs/dbraw/zinc/10/83/85/175108385.db2.gz CULGMHHEXVTNIA-AWEZNQCLSA-N 1 0 276.380 2.204 10 0 CEAERO C[NH2+][C@H](CN1CCOCC1)c1cc2ccccc2o1 ZINC000043808156 175108896 /nfs/dbraw/zinc/10/88/96/175108896.db2.gz YEWVCPULYYNXEZ-CYBMUJFWSA-N 1 0 260.337 2.026 10 0 CEAERO CC[NH2+][C@H](CN1CCOCC1)c1ccc(OCC)cc1 ZINC000043808373 175109034 /nfs/dbraw/zinc/10/90/34/175109034.db2.gz WEUQCNIDKWUPLD-MRXNPFEDSA-N 1 0 278.396 2.068 10 0 CEAERO C[NH2+][C@H]1c2ccccc2CC[C@H]1N1C[C@@H](C)O[C@@H](C)C1 ZINC000043811434 175110261 /nfs/dbraw/zinc/11/02/61/175110261.db2.gz VJMFDPZWKQUDPQ-GFOFROLCSA-N 1 0 274.408 2.371 10 0 CEAERO C[NH2+][C@H](CN(C)C(C)C)c1ccc2c(c1)OCO2 ZINC000043813112 175111067 /nfs/dbraw/zinc/11/10/67/175111067.db2.gz PZGYRTZMWFZXHT-GFCCVEGCSA-N 1 0 250.342 2.016 10 0 CEAERO CCCN(C)C[C@H]([NH2+]C)c1ccc(OC)cc1OC ZINC000043885811 175116762 /nfs/dbraw/zinc/11/67/62/175116762.db2.gz BFNUOPMORARIOA-AWEZNQCLSA-N 1 0 266.385 2.306 10 0 CEAERO CCCN(C)C[C@@H]([NH2+]C)c1ccc2c(c1)OCO2 ZINC000043885876 175117078 /nfs/dbraw/zinc/11/70/78/175117078.db2.gz ZHCCKLIGHCPBMF-GFCCVEGCSA-N 1 0 250.342 2.018 10 0 CEAERO C[NH2+][C@@H](CN(C)CC(C)C)c1ccc2c(c1)OCCO2 ZINC000043886577 175117243 /nfs/dbraw/zinc/11/72/43/175117243.db2.gz JWWSEYJNDFNYGP-AWEZNQCLSA-N 1 0 278.396 2.306 10 0 CEAERO CC[NH2+][C@@H](CN1CCOC[C@@H]1C)c1ccccc1OCC ZINC000043891536 175118117 /nfs/dbraw/zinc/11/81/17/175118117.db2.gz NMIISCUAAAHQSC-HOCLYGCPSA-N 1 0 292.423 2.457 10 0 CEAERO C[NH2+][C@H]1c2ccccc2OC[C@H]1N(C)Cc1ccccn1 ZINC000043894374 175119297 /nfs/dbraw/zinc/11/92/97/175119297.db2.gz VCHIHWQGJOYRPL-WBVHZDCISA-N 1 0 283.375 2.235 10 0 CEAERO CC[NH2+][C@@H](CN1CCOC(C)(C)C1)c1cccc(OC)c1 ZINC000043897874 175120273 /nfs/dbraw/zinc/12/02/73/175120273.db2.gz DGMZNXVIXRDULQ-INIZCTEOSA-N 1 0 292.423 2.457 10 0 CEAERO CC[NH2+][C@H]1CCCCC[C@@H]1N1CCOC(C)(C)C1 ZINC000043897816 175120298 /nfs/dbraw/zinc/12/02/98/175120298.db2.gz XMYCCVFHEJTVOC-KBPBESRZSA-N 1 0 254.418 2.408 10 0 CEAERO CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N1CCOC(C)(C)C1 ZINC000043897805 175120606 /nfs/dbraw/zinc/12/06/06/175120606.db2.gz ODNBBMBJOQOGTE-MJBXVCDLSA-N 1 0 254.418 2.264 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2OC[C@@H]1N1CCOC(C)(C)C1 ZINC000043897925 175120670 /nfs/dbraw/zinc/12/06/70/175120670.db2.gz OZBBHTATHIJUDM-HOCLYGCPSA-N 1 0 290.407 2.209 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2C[C@H]1N(C)CC(F)(F)F ZINC000043900592 175121956 /nfs/dbraw/zinc/12/19/56/175121956.db2.gz MMDJRQZLRDXAMO-VXGBXAGGSA-N 1 0 258.287 2.366 10 0 CEAERO CCOC1CCN(C[C@@H]([NH2+]C)c2ccccc2OC)CC1 ZINC000043906940 175122450 /nfs/dbraw/zinc/12/24/50/175122450.db2.gz BBBVERXZAHWVKU-MRXNPFEDSA-N 1 0 292.423 2.457 10 0 CEAERO CCC[NH2+][C@@H]1CCCCC[C@H]1N(CCOC)CCOC ZINC000043912901 175124167 /nfs/dbraw/zinc/12/41/67/175124167.db2.gz HMEYUYYFRXHLSC-HZPDHXFCSA-N 1 0 286.460 2.282 10 0 CEAERO CC[C@@H]1CO[C@H](C)CN1[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C ZINC000043913793 175124288 /nfs/dbraw/zinc/12/42/88/175124288.db2.gz PYSJQBJZIQHAFP-WNOSKKOXSA-N 1 0 274.408 2.371 10 0 CEAERO CC[NH2+][C@H](CN(CCOC)CCOC)c1ccccc1C ZINC000043912799 175124678 /nfs/dbraw/zinc/12/46/78/175124678.db2.gz ZWFGIYIAMVZKAR-QGZVFWFLSA-N 1 0 294.439 2.240 10 0 CEAERO CCC[NH2+][C@H]1c2ccccc2C[C@H]1N(C)CCOC ZINC000043916319 175125028 /nfs/dbraw/zinc/12/50/28/175125028.db2.gz MFWZVVTZIICCML-CVEARBPZSA-N 1 0 262.397 2.230 10 0 CEAERO CC[NH2+][C@H]1CCCCC[C@@H]1N1CCOCC1(C)C ZINC000043916959 175125430 /nfs/dbraw/zinc/12/54/30/175125430.db2.gz IOAFOMBJAMQEEH-KBPBESRZSA-N 1 0 254.418 2.408 10 0 CEAERO C[NH2+][C@H](CN1CCOCC1(C)C)c1ccccc1OC ZINC000043916646 175125496 /nfs/dbraw/zinc/12/54/96/175125496.db2.gz DDJCMJLWNZUIHB-CQSZACIVSA-N 1 0 278.396 2.067 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2C[C@H]1N(C)C[C@@H]1CCCO1 ZINC000043966101 175127060 /nfs/dbraw/zinc/12/70/60/175127060.db2.gz ZCTXKHNODDQSIC-USXIJHARSA-N 1 0 274.408 2.373 10 0 CEAERO C[NH2+][C@H](CN(C)C[C@@H]1CCCO1)c1ccc(C)cc1 ZINC000043965759 175127115 /nfs/dbraw/zinc/12/71/15/175127115.db2.gz YKNCHNBJIDSZHB-JKSUJKDBSA-N 1 0 262.397 2.366 10 0 CEAERO C[NH2+][C@H]1c2ccccc2CC[C@@H]1N(C)C[C@@H]1CCCO1 ZINC000043965964 175127148 /nfs/dbraw/zinc/12/71/48/175127148.db2.gz MYSHKHKCDKBEQH-XIRDDKMYSA-N 1 0 274.408 2.373 10 0 CEAERO CC[NH2+][C@H]1CCCCC[C@@H]1N(C)C[C@@H]1CCCO1 ZINC000043966044 175127227 /nfs/dbraw/zinc/12/72/27/175127227.db2.gz NSCVOAMHKJVSIA-KKUMJFAQSA-N 1 0 254.418 2.408 10 0 CEAERO C[NH2+][C@@H]1CCCCCC[C@@H]1N(C)Cc1cnn(C)c1 ZINC000043967143 175128636 /nfs/dbraw/zinc/12/86/36/175128636.db2.gz WOKSLRRVHSVYKA-CABCVRRESA-N 1 0 264.417 2.163 10 0 CEAERO C[NH2+][C@@H](CN(CCOC)C1CC1)c1ccc(OC)cc1 ZINC000043969681 175130381 /nfs/dbraw/zinc/13/03/81/175130381.db2.gz VTGHMOZKGAIUIQ-INIZCTEOSA-N 1 0 278.396 2.067 10 0 CEAERO CCc1ccc([C@H](CN(C)[C@@H](C)COC)[NH2+]C)cc1 ZINC000043969124 175130519 /nfs/dbraw/zinc/13/05/19/175130519.db2.gz FVNYPYOMGMPAPP-BBRMVZONSA-N 1 0 264.413 2.476 10 0 CEAERO CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N(CCOC)C1CC1 ZINC000043969880 175130899 /nfs/dbraw/zinc/13/08/99/175130899.db2.gz AZTOKYNMIONGAP-CFVMTHIKSA-N 1 0 254.418 2.264 10 0 CEAERO CCC[NH2+][C@H]1CCCC[C@H]1N(CCCOC)CCOC ZINC000043971102 175131725 /nfs/dbraw/zinc/13/17/25/175131725.db2.gz TXAWJHPGWJBNPZ-JKSUJKDBSA-N 1 0 286.460 2.282 10 0 CEAERO CC[NH+]1CCN(C[C@@H](O)c2c(C)cc(C)cc2C)CC1 ZINC000044114500 175141830 /nfs/dbraw/zinc/14/18/30/175141830.db2.gz IELSCHCETKOWSG-MRXNPFEDSA-N 1 0 276.424 2.283 10 0 CEAERO CC(C)(C)N1CC[C@H]1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000658059727 415183009 /nfs/dbraw/zinc/18/30/09/415183009.db2.gz WTZHXXQYBVOIAA-REWJHTLYSA-N 1 0 266.429 2.262 10 0 CEAERO CC[C@@H]1CCCN1C(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000044427008 175175047 /nfs/dbraw/zinc/17/50/47/175175047.db2.gz NNQSJDBXEAMWQA-HIFRSBDPSA-N 1 0 258.365 2.274 10 0 CEAERO CCCNC(=O)[C@H](C)Oc1ccc2c(c1)CCC[C@H]2[NH3+] ZINC000044744906 175241540 /nfs/dbraw/zinc/24/15/40/175241540.db2.gz CXBCXDHNRRRVDW-XHDPSFHLSA-N 1 0 276.380 2.316 10 0 CEAERO CC[NH2+][C@@H]1CCCc2cc(OCC(=O)OC)ccc21 ZINC000044745559 175241903 /nfs/dbraw/zinc/24/19/03/175241903.db2.gz GIVKSLJGMJLBTF-CQSZACIVSA-N 1 0 263.337 2.225 10 0 CEAERO C[C@@H](CN1CCCC1=O)[NH2+][C@H]1CCCc2cc(O)ccc21 ZINC000044747390 175243128 /nfs/dbraw/zinc/24/31/28/175243128.db2.gz IODGUQDFIYYSJM-LRDDRELGSA-N 1 0 288.391 2.370 10 0 CEAERO CCN(C(=O)C1(C[NH3+])CCCCCC1)[C@H](C)COC ZINC000044764248 175248195 /nfs/dbraw/zinc/24/81/95/175248195.db2.gz YDOOFVUGEOBBKE-CYBMUJFWSA-N 1 0 270.417 2.169 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]CC[C@@H](COC)OC)c1C ZINC000658081198 415197814 /nfs/dbraw/zinc/19/78/14/415197814.db2.gz BKMLAWKJYFKPTA-FZMZJTMJSA-N 1 0 283.416 2.222 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)Nc1ccc(F)cc1OC ZINC000044806678 175256565 /nfs/dbraw/zinc/25/65/65/175256565.db2.gz XVPMVWWVLMOQAG-VIFPVBQESA-N 1 0 254.305 2.148 10 0 CEAERO Cc1cc([C@H](C)NC(=O)[C@@H](C[NH3+])C(C)C)c(C)o1 ZINC000044808556 175257380 /nfs/dbraw/zinc/25/73/80/175257380.db2.gz ZTZGWMMJUXXZRB-GWCFXTLKSA-N 1 0 252.358 2.305 10 0 CEAERO C[C@H](CNc1ccc(N)c2nonc21)[NH+]1CCCCC1 ZINC000044989242 175285491 /nfs/dbraw/zinc/28/54/91/175285491.db2.gz XSKZIVHBHVDYMU-SNVBAGLBSA-N 1 0 275.356 2.091 10 0 CEAERO C[C@@H](CNc1ccc(N)c2nonc21)[NH+]1CCCCC1 ZINC000044989239 175285751 /nfs/dbraw/zinc/28/57/51/175285751.db2.gz XSKZIVHBHVDYMU-JTQLQIEISA-N 1 0 275.356 2.091 10 0 CEAERO C[C@@H](CNC1N=NC(=S)S1)[NH+]1CCCCC1 ZINC000045004939 175287742 /nfs/dbraw/zinc/28/77/42/175287742.db2.gz LOEHDDDAMULWPM-QMMMGPOBSA-N 1 0 258.416 2.113 10 0 CEAERO CC1(NS(=O)(=O)c2ccccc2C[NH3+])CCCCC1 ZINC000045046339 175296331 /nfs/dbraw/zinc/29/63/31/175296331.db2.gz UBSYXRSKRSDKDN-UHFFFAOYSA-N 1 0 282.409 2.146 10 0 CEAERO C[C@H]([NH3+])c1cccc(S(=O)(=O)N(C)CC(C)(C)C)c1 ZINC000045089927 175305476 /nfs/dbraw/zinc/30/54/76/175305476.db2.gz OZPAQXQXOMLPNH-NSHDSACASA-N 1 0 284.425 2.373 10 0 CEAERO COC(C)(C)C[C@@H](C)[NH2+]CCCCn1ccnc1 ZINC000045105603 175307654 /nfs/dbraw/zinc/30/76/54/175307654.db2.gz NKADBNZBHMLIFL-CYBMUJFWSA-N 1 0 253.390 2.457 10 0 CEAERO C[C@H](CNCc1nc2cc(Cl)ccc2c(=O)[nH]1)[NH+](C)C ZINC000045107659 175308172 /nfs/dbraw/zinc/30/81/72/175308172.db2.gz WBFMJSPBPAGGQQ-SECBINFHSA-N 1 0 294.786 2.029 10 0 CEAERO Nc1[nH+]c2ccccc2n1CCCCn1ccnc1 ZINC000045108604 175309033 /nfs/dbraw/zinc/30/90/33/175309033.db2.gz NBGGXCKYDKAZEK-UHFFFAOYSA-N 1 0 255.325 2.295 10 0 CEAERO CC(C)[N@@H+]1CC[C@@H](CNCc2cn3ccccc3n2)C1 ZINC000045135175 175312564 /nfs/dbraw/zinc/31/25/64/175312564.db2.gz GKOXRSKGYDRKDH-AWEZNQCLSA-N 1 0 272.396 2.154 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(S(=O)(=O)N[C@@H]2CC2(C)C)cc1 ZINC000045138127 175314487 /nfs/dbraw/zinc/31/44/87/175314487.db2.gz XIEICVWUSDMAAW-BXUZGUMPSA-N 1 0 296.436 2.434 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]C[C@H](O)c1ccccc1 ZINC000045169698 175320716 /nfs/dbraw/zinc/32/07/16/175320716.db2.gz YGGJATLJNZDVIR-ABAIWWIYSA-N 1 0 273.380 2.421 10 0 CEAERO CCOC(=O)[C@@](N)(C[N@@H+]1CCC[C@@H]1CC)c1ccccc1 ZINC000045221069 175330367 /nfs/dbraw/zinc/33/03/67/175330367.db2.gz YGVDIUKUMQXWIS-DOTOQJQBSA-N 1 0 290.407 2.278 10 0 CEAERO CCCC[N@H+](C)CC[C@](C)(NCC)C(=O)OCC ZINC000045222194 175330807 /nfs/dbraw/zinc/33/08/07/175330807.db2.gz GFYCXJGVAHYORH-AWEZNQCLSA-N 1 0 258.406 2.040 10 0 CEAERO CCCC[N@H+](C)CC[C@](C)(NCCC)C(=O)OCC ZINC000045222214 175330846 /nfs/dbraw/zinc/33/08/46/175330846.db2.gz NITCERGHOQKVLB-HNNXBMFYSA-N 1 0 272.433 2.430 10 0 CEAERO COC(=O)[C@@](C)(CC[NH+]1CCCCCCC1)NC1CC1 ZINC000045223804 175331389 /nfs/dbraw/zinc/33/13/89/175331389.db2.gz JPAKULFNCMYDOC-MRXNPFEDSA-N 1 0 282.428 2.326 10 0 CEAERO CC[N@H+](CC[C@](C)([NH2+]C)C(=O)[O-])C1CCCCC1 ZINC000045224099 175332217 /nfs/dbraw/zinc/33/22/17/175332217.db2.gz ZRHVHXODQXORRR-AWEZNQCLSA-N 1 0 256.390 2.094 10 0 CEAERO CCN[C@](C[NH+](CC)CC)(C(=O)OCC)c1ccccc1 ZINC000045226486 175333447 /nfs/dbraw/zinc/33/34/47/175333447.db2.gz QLYPVVIGBPDGBZ-KRWDZBQOSA-N 1 0 292.423 2.396 10 0 CEAERO CCOC(=O)[C@@](C)(CC[N@H+](C)C1CCCCC1)NC ZINC000045231267 175335236 /nfs/dbraw/zinc/33/52/36/175335236.db2.gz XRQVLMCTLNINIQ-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CCC[NH2+][C@](C)(CCN(CC)c1ccccc1)C(N)=O ZINC000045232170 175335378 /nfs/dbraw/zinc/33/53/78/175335378.db2.gz NAFLJEHPNAOENL-MRXNPFEDSA-N 1 0 277.412 2.147 10 0 CEAERO CN[C@](C[N@H+](C)C1CCCC1)(C(=O)OC)c1ccccc1 ZINC000045266069 175338989 /nfs/dbraw/zinc/33/89/89/175338989.db2.gz KJFRSSRFYCWFOE-KRWDZBQOSA-N 1 0 290.407 2.149 10 0 CEAERO CCCN[C@@](C)(C[N@@H+]1CCCC[C@@H]1CC)C(=O)OC ZINC000045265849 175339259 /nfs/dbraw/zinc/33/92/59/175339259.db2.gz UQBYARSRSIHDSK-ZFWWWQNUSA-N 1 0 270.417 2.182 10 0 CEAERO CCC[N@H+](CC[C@](C)(NC1CC1)C(=O)OCC)C1CC1 ZINC000045268034 175339642 /nfs/dbraw/zinc/33/96/42/175339642.db2.gz VDNYYMGWKMKMLS-INIZCTEOSA-N 1 0 282.428 2.325 10 0 CEAERO CC[NH2+][C@@](C)(CC[N@H+](CC)C1CCCC1)C(=O)[O-] ZINC000045269259 175340972 /nfs/dbraw/zinc/34/09/72/175340972.db2.gz FLFDXAMGXULLQG-AWEZNQCLSA-N 1 0 256.390 2.094 10 0 CEAERO CCN(CC[C@@](C)([NH2+]C(C)C)C(N)=O)c1cccc(C)c1 ZINC000045273260 175344151 /nfs/dbraw/zinc/34/41/51/175344151.db2.gz AQIMJBGHUQZFEL-QGZVFWFLSA-N 1 0 291.439 2.453 10 0 CEAERO CCN[C@@](C)(CC[N@H+](CC(C)C)C1CC1)C(=O)OC ZINC000045277558 175347479 /nfs/dbraw/zinc/34/74/79/175347479.db2.gz FWZOMPMRFMVDOA-HNNXBMFYSA-N 1 0 270.417 2.038 10 0 CEAERO CCOC(=O)[C@@](C)(C[N@@H+]1CCC[C@@H]1C1CCCC1)NC ZINC000045277362 175347497 /nfs/dbraw/zinc/34/74/97/175347497.db2.gz PIDCFSGZVYVCIK-GDBMZVCRSA-N 1 0 282.428 2.182 10 0 CEAERO CCCCC[N@H+](C[C@@](C)(NC(C)C)C(N)=O)C(C)C ZINC000045278587 175348186 /nfs/dbraw/zinc/34/81/86/175348186.db2.gz JOTYJGMVMGCQFV-OAHLLOKOSA-N 1 0 271.449 2.129 10 0 CEAERO CCOC(=O)[C@](C)(CC[NH+]1CCC(CC)CC1)NC ZINC000045281440 175352244 /nfs/dbraw/zinc/35/22/44/175352244.db2.gz WQSCMNTVQOYPFY-HNNXBMFYSA-N 1 0 270.417 2.040 10 0 CEAERO CCN[C@@](C)(CCC[NH+](CC)CC)C(=O)OCC ZINC000045375923 175366708 /nfs/dbraw/zinc/36/67/08/175366708.db2.gz DTSPFIYUBPKMQY-AWEZNQCLSA-N 1 0 258.406 2.040 10 0 CEAERO CCCN[C@@](C)(CCCC[NH+]1CCCC1)C(=O)OC ZINC000045375270 175366710 /nfs/dbraw/zinc/36/67/10/175366710.db2.gz GEKHEKMEGWBSDE-HNNXBMFYSA-N 1 0 270.417 2.184 10 0 CEAERO CC(C)[NH2+][C@](C)(CCCC[NH+]1CCCCC1)C(=O)[O-] ZINC000045378221 175367754 /nfs/dbraw/zinc/36/77/54/175367754.db2.gz VXNNFUSSJBKSIU-OAHLLOKOSA-N 1 0 270.417 2.484 10 0 CEAERO CCCN[C@H](C[N@H+](C)C1CCCCC1)C(=O)OCC ZINC000045379011 175368307 /nfs/dbraw/zinc/36/83/07/175368307.db2.gz DFQUHTNYYJWQHY-CQSZACIVSA-N 1 0 270.417 2.182 10 0 CEAERO CCN[C@](C)(CCC[N@H+](CC)CC(C)C)C(=O)OC ZINC000045381823 175369601 /nfs/dbraw/zinc/36/96/01/175369601.db2.gz MMRRVBLDLIKNTK-OAHLLOKOSA-N 1 0 272.433 2.286 10 0 CEAERO CCC[N@H+](C)CCCC[C@@](C)(NC)C(=O)OCC ZINC000045382159 175370401 /nfs/dbraw/zinc/37/04/01/175370401.db2.gz GQCGUCSAAIQWHW-CQSZACIVSA-N 1 0 258.406 2.040 10 0 CEAERO CCC[N@H+](CCCC[C@](C)([NH2+]CC)C(=O)[O-])C1CC1 ZINC000045387361 175373272 /nfs/dbraw/zinc/37/32/72/175373272.db2.gz OXACCKGGWFOCRY-HNNXBMFYSA-N 1 0 270.417 2.484 10 0 CEAERO CCC[N@H+](CCCC[C@@](C)(NC)C(=O)OC)C1CC1 ZINC000045387421 175373293 /nfs/dbraw/zinc/37/32/93/175373293.db2.gz OQPZPAIEBULYKS-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CC[NH2+][C@](C)(CCC[N@H+](C)[C@@H](C)C(C)C)C(=O)[O-] ZINC000045392058 175375357 /nfs/dbraw/zinc/37/53/57/175375357.db2.gz FZDSRQAZNHJEHY-GXTWGEPZSA-N 1 0 258.406 2.196 10 0 CEAERO COC(=O)[C@](C)(CCC[N@H+](C)[C@@H](C)C1CC1)NC(C)C ZINC000045393055 175375564 /nfs/dbraw/zinc/37/55/64/175375564.db2.gz ZIODZYQQAJIGKP-BBRMVZONSA-N 1 0 284.444 2.427 10 0 CEAERO CCN[C@](C)(CCC[N@H+](C)[C@@H](C)C(C)C)C(=O)OC ZINC000045392137 175375588 /nfs/dbraw/zinc/37/55/88/175375588.db2.gz JOSDRYWWPUOITL-DZGCQCFKSA-N 1 0 272.433 2.284 10 0 CEAERO CC[NH2+][C@@](C)(CCC[N@@H+]1CCC[C@@H](CC)C1)C(=O)[O-] ZINC000045393430 175376496 /nfs/dbraw/zinc/37/64/96/175376496.db2.gz JPNQJSZNNNITEC-HIFRSBDPSA-N 1 0 270.417 2.341 10 0 CEAERO CCC[NH2+][C@@](C)(CCCC[N@H+](C)CC1CC1)C(=O)[O-] ZINC000045419897 175377927 /nfs/dbraw/zinc/37/79/27/175377927.db2.gz YNIFVEYXHZLXFT-HNNXBMFYSA-N 1 0 270.417 2.341 10 0 CEAERO Cc1ccc(-c2nc(C)cc(N3CC[C@@H]([NH3+])C3)n2)cc1 ZINC000045954475 175389130 /nfs/dbraw/zinc/38/91/30/175389130.db2.gz FOIHTRFQRFFQNZ-CQSZACIVSA-N 1 0 268.364 2.298 10 0 CEAERO CN1C[C@H](C[NH2+][C@H]2CCSc3ccccc32)CC1=O ZINC000658243362 415277826 /nfs/dbraw/zinc/27/78/26/415277826.db2.gz COEFJONRLGVCMA-AAEUAGOBSA-N 1 0 276.405 2.291 10 0 CEAERO CC(C)(C)[NH2+]C[C@H]1CC[C@@H](COc2cccnc2)O1 ZINC000052646707 175536677 /nfs/dbraw/zinc/53/66/77/175536677.db2.gz VHYOPJMJZPQRII-KGLIPLIRSA-N 1 0 264.369 2.396 10 0 CEAERO COCC[NH2+][C@@H](CCSC)c1nc(C)cs1 ZINC000053288558 175546679 /nfs/dbraw/zinc/54/66/79/175546679.db2.gz ZLVWIYOZWZMTKR-JTQLQIEISA-N 1 0 260.428 2.482 10 0 CEAERO CCO[C@H]1C[C@H]([NH2+]C2CC(CO)C2)C12CCCC2 ZINC000658354928 415337305 /nfs/dbraw/zinc/33/73/05/415337305.db2.gz FLISYTDACZXDEF-HOAMVYINSA-N 1 0 253.386 2.085 10 0 CEAERO CCOc1ccc(N[C@@H]2CC[N@H+](C)C2)cc1OC ZINC000061986050 175660156 /nfs/dbraw/zinc/66/01/56/175660156.db2.gz PSWAYTJOPSCYPF-GFCCVEGCSA-N 1 0 250.342 2.210 10 0 CEAERO [NH3+]C[C@H]1CCCCN1Cc1cc(F)c(F)c(F)c1 ZINC000062719301 175673264 /nfs/dbraw/zinc/67/32/64/175673264.db2.gz ZYJGQDWJAQVVEG-SNVBAGLBSA-N 1 0 258.287 2.417 10 0 CEAERO C[C@H]1C[C@H](CNC(=O)[C@H]2CC[C@H]([NH3+])C2)C[C@@H](C)C1 ZINC000659342243 415531729 /nfs/dbraw/zinc/53/17/29/415531729.db2.gz DLCFOSXCDDHELN-ZSLBOAEBSA-N 1 0 252.402 2.302 10 0 CEAERO Cc1cc(C)cc(CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000659346090 415533752 /nfs/dbraw/zinc/53/37/52/415533752.db2.gz ZVGRLUVTKMQMAV-CABCVRRESA-N 1 0 260.381 2.437 10 0 CEAERO CC[C@@H](C)NC(=O)CC[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000070359010 175888487 /nfs/dbraw/zinc/88/84/87/175888487.db2.gz UQWZTTPMERUZBI-MCIONIFRSA-N 1 0 270.417 2.084 10 0 CEAERO CC(C)[C@@H]1C[C@H]([NH2+]CCOCC(F)(F)F)CCO1 ZINC000070362284 175889769 /nfs/dbraw/zinc/88/97/69/175889769.db2.gz BAZUQOBYRRWBPB-MNOVXSKESA-N 1 0 269.307 2.359 10 0 CEAERO CC[C@H]1C[C@](C[NH3+])(N(C)c2cccc(OC)c2)CCO1 ZINC000070365496 175894816 /nfs/dbraw/zinc/89/48/16/175894816.db2.gz YSIZGAUTVYWNHO-GOEBONIOSA-N 1 0 278.396 2.418 10 0 CEAERO CC(C)[C@H]1C[C@@]([NH3+])(c2noc(C(C)(C)C)n2)CCO1 ZINC000070369659 175898698 /nfs/dbraw/zinc/89/86/98/175898698.db2.gz UZMYMVFRSUXYSZ-QMTHXVAHSA-N 1 0 267.373 2.356 10 0 CEAERO C[C@@H]1CN(C(=O)CC[C@@H]2CCCC[NH2+]2)C[C@@H](C)S1 ZINC000070386688 175904780 /nfs/dbraw/zinc/90/47/80/175904780.db2.gz ZVFCPYIDOVWLRW-UPJWGTAASA-N 1 0 270.442 2.261 10 0 CEAERO COc1ccccc1-c1cc(N2CCC[C@H]([NH3+])C2)n[nH]1 ZINC000070460132 175942267 /nfs/dbraw/zinc/94/22/67/175942267.db2.gz WDDZNWNXLJMGFU-NSHDSACASA-N 1 0 272.352 2.013 10 0 CEAERO CCOc1ccc(-c2cc(N3CCC[C@@H]([NH3+])C3)n[nH]2)cc1 ZINC000070460125 175942539 /nfs/dbraw/zinc/94/25/39/175942539.db2.gz BELWFCREDXRVKN-CYBMUJFWSA-N 1 0 286.379 2.403 10 0 CEAERO COCCOCCOc1ccc(OC)cc1C[NH2+]C(C)C ZINC000070480299 175952125 /nfs/dbraw/zinc/95/21/25/175952125.db2.gz XDFOFYMALZIXDD-UHFFFAOYSA-N 1 0 297.395 2.235 10 0 CEAERO CCC[NH2+][C@](C)(CO)CCCn1cc(C(F)(F)F)cn1 ZINC000070515751 175964648 /nfs/dbraw/zinc/96/46/48/175964648.db2.gz AUUCMBHWONNCTG-LBPRGKRZSA-N 1 0 293.333 2.433 10 0 CEAERO CCC[NH2+][C@@H](CO)COc1cccc2ccc(C)nc21 ZINC000070519457 175966622 /nfs/dbraw/zinc/96/66/22/175966622.db2.gz LGMVLYVMJIXILV-AWEZNQCLSA-N 1 0 274.364 2.283 10 0 CEAERO CCC[NH2+]C[C@@H](C)CN1c2ccc(C)cc2C(=O)C1=O ZINC000070526723 175971184 /nfs/dbraw/zinc/97/11/84/175971184.db2.gz CFKIIFSDDPBULX-GFCCVEGCSA-N 1 0 274.364 2.160 10 0 CEAERO O=C(CC[C@@H]1CCC[NH2+]C1)N[C@H]1COc2ccccc21 ZINC000070530518 175972838 /nfs/dbraw/zinc/97/28/38/175972838.db2.gz VMWQBNGGAYJDEH-JSGCOSHPSA-N 1 0 274.364 2.016 10 0 CEAERO C[C@@H]([NH3+])Cc1nc(-c2nccc3ccccc32)no1 ZINC000070543280 175978265 /nfs/dbraw/zinc/97/82/65/175978265.db2.gz IJTIBGDKHKRANQ-SECBINFHSA-N 1 0 254.293 2.175 10 0 CEAERO Cc1ncc(CNC2=[NH+]C[C@@H](C3CC3)S2)s1 ZINC000070888434 176010053 /nfs/dbraw/zinc/01/00/53/176010053.db2.gz ZYBPGLOMMBGJAI-JTQLQIEISA-N 1 0 253.396 2.423 10 0 CEAERO [NH3+]CCN(C(=O)Cc1cccc(F)c1)C1CCCC1 ZINC000070943699 176016538 /nfs/dbraw/zinc/01/65/38/176016538.db2.gz MOEXJWGDMXGLHW-UHFFFAOYSA-N 1 0 264.344 2.098 10 0 CEAERO [NH3+][C@H]1CCC(=O)N(C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000070987222 176018335 /nfs/dbraw/zinc/01/83/35/176018335.db2.gz GYHKJSJDZFKJOU-JSGCOSHPSA-N 1 0 266.291 2.118 10 0 CEAERO CCc1ccccc1[C@@H]1[C@@H]([NH3+])CCC(=O)N1C1CC1 ZINC000070987078 176018593 /nfs/dbraw/zinc/01/85/93/176018593.db2.gz OLGYAJLSEGBEBM-GOEBONIOSA-N 1 0 258.365 2.402 10 0 CEAERO O[C@@]1(C[NH2+]C2CC2)CCc2cc(Br)ccc2C1 ZINC000070988277 176018599 /nfs/dbraw/zinc/01/85/99/176018599.db2.gz IQTICXGHHSSHAQ-AWEZNQCLSA-N 1 0 296.208 2.421 10 0 CEAERO CC[NH2+][C@H]1CCCN([C@@H](C)Cc2ccc(F)cc2)C1=O ZINC000071031274 176022660 /nfs/dbraw/zinc/02/26/60/176022660.db2.gz JZBDXBJCUQRORO-WFASDCNBSA-N 1 0 278.371 2.357 10 0 CEAERO CC[C@@H](c1cccs1)N1CCC[C@@H]([NH2+]C)C1=O ZINC000071031738 176022853 /nfs/dbraw/zinc/02/28/53/176022853.db2.gz GNCDBARHPUXZRA-MNOVXSKESA-N 1 0 252.383 2.410 10 0 CEAERO Cc1ccc(N2CC[C@H]([NH2+]C(C)C)C2=O)cc1F ZINC000071033022 176023522 /nfs/dbraw/zinc/02/35/22/176023522.db2.gz YKRYHUMJXBMXLO-ZDUSSCGKSA-N 1 0 250.317 2.237 10 0 CEAERO CC[NH2+][C@@H]1CCCN(c2nc(C(C)C)cs2)C1=O ZINC000071033801 176024145 /nfs/dbraw/zinc/02/41/45/176024145.db2.gz XBFRNOCLOFRKGO-SNVBAGLBSA-N 1 0 267.398 2.371 10 0 CEAERO CC[NH2+][C@H]1CCCN([C@@H](C)Cc2ccsc2)C1=O ZINC000071035425 176025612 /nfs/dbraw/zinc/02/56/12/176025612.db2.gz HKXFGBXJQYDPAH-AAEUAGOBSA-N 1 0 266.410 2.280 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN([C@@H](C)CCc2ccco2)C1=O ZINC000071036747 176025756 /nfs/dbraw/zinc/02/57/56/176025756.db2.gz OOIGCWSLKICKND-GXTWGEPZSA-N 1 0 264.369 2.200 10 0 CEAERO CC[NH2+][C@@H]1CCCN([C@@H](C)CCc2ccco2)C1=O ZINC000071036766 176025766 /nfs/dbraw/zinc/02/57/66/176025766.db2.gz FMUIDOJXPGJZTH-GXTWGEPZSA-N 1 0 264.369 2.201 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCN1c1cccc2cccnc21 ZINC000071037587 176026688 /nfs/dbraw/zinc/02/66/88/176026688.db2.gz NDAAVOGZARDADW-ZDUSSCGKSA-N 1 0 267.332 2.092 10 0 CEAERO CCC[NH2+][C@@H]1CCCN(Cc2ccc(OC)cc2)C1=O ZINC000071037686 176026804 /nfs/dbraw/zinc/02/68/04/176026804.db2.gz OIAJDMZWXQPLOW-OAHLLOKOSA-N 1 0 276.380 2.186 10 0 CEAERO CC(C)[NH2+][C@H]1CCN(Cc2ccc(Cl)cc2)C1=O ZINC000071038657 176027344 /nfs/dbraw/zinc/02/73/44/176027344.db2.gz BFZLFVQAJRJCJP-ZDUSSCGKSA-N 1 0 266.772 2.439 10 0 CEAERO CC(C)[NH2+][C@H]1CCCN(Cc2cccs2)C1=O ZINC000071039673 176027356 /nfs/dbraw/zinc/02/73/56/176027356.db2.gz QNRNYNMZSSAQQP-LBPRGKRZSA-N 1 0 252.383 2.237 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN(CCc2cc(F)cc(F)c2)C1=O ZINC000071042429 176028478 /nfs/dbraw/zinc/02/84/78/176028478.db2.gz IGNXPUWNNSGMQX-CQSZACIVSA-N 1 0 282.334 2.106 10 0 CEAERO Cc1ccc(CN2CC[C@@H]([NH2+]C(C)C)C2=O)s1 ZINC000071042013 176028516 /nfs/dbraw/zinc/02/85/16/176028516.db2.gz XXUVEXCESNZEMM-GFCCVEGCSA-N 1 0 252.383 2.155 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCCN1[C@@H]1CCOc2ccccc21 ZINC000071043269 176029038 /nfs/dbraw/zinc/02/90/38/176029038.db2.gz HOOOMIAMXBDNSD-LSDHHAIUSA-N 1 0 286.375 2.253 10 0 CEAERO C[NH2+][C@H]1CCCN(CCC2CCC(C)CC2)C1=O ZINC000071044358 176029610 /nfs/dbraw/zinc/02/96/10/176029610.db2.gz HFWVKRUVWPZFSY-RUXDESIVSA-N 1 0 252.402 2.413 10 0 CEAERO CC[NH2+][C@@H]1CCCN([C@@H](C)Cc2cccs2)C1=O ZINC000071043822 176029711 /nfs/dbraw/zinc/02/97/11/176029711.db2.gz LVRHBKRQYVDBTI-WCQYABFASA-N 1 0 266.410 2.280 10 0 CEAERO C[C@@H](C1CCCC1)N1CCC[C@@H]([NH2+]C2CC2)C1=O ZINC000071043963 176029760 /nfs/dbraw/zinc/02/97/60/176029760.db2.gz LFUYUOOJFSYHGW-SMDDNHRTSA-N 1 0 250.386 2.308 10 0 CEAERO [NH3+]CCCN(C[C@@H]1OCCc2ccccc21)C1CC1 ZINC000071044751 176029773 /nfs/dbraw/zinc/02/97/73/176029773.db2.gz DALLTXMRSLJKBO-INIZCTEOSA-N 1 0 260.381 2.114 10 0 CEAERO c1ccc2c(c1)CCO[C@@H]2C[NH2+]C[C@H]1CCCCO1 ZINC000071090960 176031389 /nfs/dbraw/zinc/03/13/89/176031389.db2.gz RVPGJVCMDYRERW-GDBMZVCRSA-N 1 0 261.365 2.459 10 0 CEAERO Cc1nn(C[C@@H]2OCCc3ccccc32)c(C)c1C[NH3+] ZINC000071092272 176031850 /nfs/dbraw/zinc/03/18/50/176031850.db2.gz MRMKJKNHOQCWQW-INIZCTEOSA-N 1 0 271.364 2.273 10 0 CEAERO CC[NH2+]CCN(CC)C[C@H]1OCCc2ccccc21 ZINC000071091536 176031866 /nfs/dbraw/zinc/03/18/66/176031866.db2.gz PLGYTCPJPFWEQY-MRXNPFEDSA-N 1 0 262.397 2.232 10 0 CEAERO CC[NH2+]Cc1nccn1C[C@H]1OCCc2ccccc21 ZINC000071092284 176031920 /nfs/dbraw/zinc/03/19/20/176031920.db2.gz KMFKBUGCTQSXEU-OAHLLOKOSA-N 1 0 271.364 2.307 10 0 CEAERO COCCC[NH2+]C[C@H](C)Oc1cc(OC)cc(OC)c1 ZINC000071137810 176036354 /nfs/dbraw/zinc/03/63/54/176036354.db2.gz DISSMHXHMPCJKU-LBPRGKRZSA-N 1 0 283.368 2.097 10 0 CEAERO COCC[NH2+]CCCCOc1cc(OC)cc(OC)c1 ZINC000071137820 176036402 /nfs/dbraw/zinc/03/64/02/176036402.db2.gz JGNLLLGGSJCZFB-UHFFFAOYSA-N 1 0 283.368 2.099 10 0 CEAERO CCC[NH2+][C@H](c1ccc(CCOC)cc1)[C@H]1COCCO1 ZINC000071138257 176037084 /nfs/dbraw/zinc/03/70/84/176037084.db2.gz ZIJWMCYNXHHJEO-IAGOWNOFSA-N 1 0 293.407 2.332 10 0 CEAERO CCCc1ccc(NC(=O)CN2CC[C@H](C[NH2+]C)C2)cc1 ZINC000071145365 176042248 /nfs/dbraw/zinc/04/22/48/176042248.db2.gz VSXNMSXVLBPFOV-OAHLLOKOSA-N 1 0 289.423 2.119 10 0 CEAERO CC[C@@H]1CCC[C@@H]([NH+]2CCN([C@@H](C)C(N)=S)CC2)C1 ZINC000071148239 176043955 /nfs/dbraw/zinc/04/39/55/176043955.db2.gz CJUHWYJQHWQWKU-BFHYXJOUSA-N 1 0 283.485 2.247 10 0 CEAERO CC[C@H]1CCC[C@H]([NH+]2CCN([C@@H](C)C(N)=S)CC2)C1 ZINC000071148237 176043989 /nfs/dbraw/zinc/04/39/89/176043989.db2.gz CJUHWYJQHWQWKU-IHRRRGAJSA-N 1 0 283.485 2.247 10 0 CEAERO CC[C@H]1CCCC[C@]1(CN)[N@H+](C)C[C@@H]1CCCO1 ZINC000071161821 176046098 /nfs/dbraw/zinc/04/60/98/176046098.db2.gz CNYJCIYNKTUOHM-SOUVJXGZSA-N 1 0 254.418 2.395 10 0 CEAERO CC[C@H]1CCCC[C@@]1(CN)[NH+]1CCC(OC)CC1 ZINC000071161613 176046608 /nfs/dbraw/zinc/04/66/08/176046608.db2.gz QARDMHJSRKAIKG-ZFWWWQNUSA-N 1 0 254.418 2.395 10 0 CEAERO [NH3+]C[C@@H](Oc1cc(F)ccc1F)c1ccccn1 ZINC000071167110 176049513 /nfs/dbraw/zinc/04/95/13/176049513.db2.gz VNRKXJNEVINOMV-CYBMUJFWSA-N 1 0 250.248 2.439 10 0 CEAERO COc1ccc(C[C@](C)(C[NH3+])N2CCOCC2(C)C)cc1 ZINC000071169169 176050071 /nfs/dbraw/zinc/05/00/71/176050071.db2.gz QZHCJPHSOGFWPM-QGZVFWFLSA-N 1 0 292.423 2.066 10 0 CEAERO CC[C@H](C)[NH2+][C@@](C)(CO)Cc1ccc(OC)cc1 ZINC000071169932 176050560 /nfs/dbraw/zinc/05/05/60/176050560.db2.gz XVSUYHGXZUXNQI-SWLSCSKDSA-N 1 0 251.370 2.377 10 0 CEAERO CCCOc1cncc(N(CCC)[C@H]2CCC[NH2+]C2)n1 ZINC000071176293 176054866 /nfs/dbraw/zinc/05/48/66/176054866.db2.gz ZRXVEVFQJDZCGR-ZDUSSCGKSA-N 1 0 278.400 2.234 10 0 CEAERO CC(C)Oc1cncc(N[C@@H](C[NH3+])c2ccccc2)n1 ZINC000071177429 176055298 /nfs/dbraw/zinc/05/52/98/176055298.db2.gz JTVLFBPIHCXXFE-ZDUSSCGKSA-N 1 0 272.352 2.376 10 0 CEAERO C[NH2+][C@H](C)c1cc(Cl)ccc1O[C@H]1CCN(C)C1=O ZINC000071183089 176058606 /nfs/dbraw/zinc/05/86/06/176058606.db2.gz XDIURKZKOPLBQB-RNCFNFMXSA-N 1 0 282.771 2.230 10 0 CEAERO CC(C)[C@H]([NH2+][C@@H]1CCN(C)C1=O)c1cccs1 ZINC000071183736 176058818 /nfs/dbraw/zinc/05/88/18/176058818.db2.gz CRPKEVKFGQPBCD-PWSUYJOCSA-N 1 0 252.383 2.266 10 0 CEAERO Cc1ccc(C[NH3+])c(N[C@@H](CO)Cc2ccccc2)c1 ZINC000071187513 176060724 /nfs/dbraw/zinc/06/07/24/176060724.db2.gz NUYXJPBNFSPGSF-MRXNPFEDSA-N 1 0 270.376 2.469 10 0 CEAERO CN(C[C@H]1CC[N@H+](C)C1)c1n[nH]c(=S)n1C1CCCC1 ZINC000071190257 176066722 /nfs/dbraw/zinc/06/67/22/176066722.db2.gz AWHRLKFBISGFOB-NSHDSACASA-N 1 0 295.456 2.444 10 0 CEAERO CCCNc1ccc(CN(C)C[C@H]2CC[N@H+](C)C2)cn1 ZINC000071191127 176068345 /nfs/dbraw/zinc/06/83/45/176068345.db2.gz PPZVRMHRNHMBOG-HNNXBMFYSA-N 1 0 276.428 2.287 10 0 CEAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1c[nH]c2ccccc12 ZINC000071192943 176074476 /nfs/dbraw/zinc/07/44/76/176074476.db2.gz FLKZQLNQLRMZSB-LBPRGKRZSA-N 1 0 271.364 2.192 10 0 CEAERO C[C@H](O)c1ccc(NC(=O)N(C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071193047 176075094 /nfs/dbraw/zinc/07/50/94/176075094.db2.gz ZFPGUFTZGDPPCD-QWHCGFSZSA-N 1 0 291.395 2.155 10 0 CEAERO COc1ccc([C@@H]2C[NH2+][C@@H](C)C2)c(OC)c1OC ZINC000071202231 176078130 /nfs/dbraw/zinc/07/81/30/176078130.db2.gz YFMDIMTUIWHGNC-UWVGGRQHSA-N 1 0 251.326 2.178 10 0 CEAERO C[NH2+][C@@H](C)CCCn1cc(C(F)(F)F)ccc1=O ZINC000071211972 176083877 /nfs/dbraw/zinc/08/38/77/176083877.db2.gz HYNGWNWSZCCCCH-VIFPVBQESA-N 1 0 262.275 2.255 10 0 CEAERO COCCN(CCC[NH3+])Cc1ccc2ccccc2n1 ZINC000071224730 176089103 /nfs/dbraw/zinc/08/91/03/176089103.db2.gz SPCXBYQGCYMLRU-UHFFFAOYSA-N 1 0 273.380 2.032 10 0 CEAERO C[N@@H+](Cc1ccc(F)cc1C(N)=S)C[C@H]1CCCO1 ZINC000071265939 176099536 /nfs/dbraw/zinc/09/95/36/176099536.db2.gz BJLTZIRRJFHKAY-GFCCVEGCSA-N 1 0 282.384 2.071 10 0 CEAERO Cc1nnc(SCc2ccc(F)cc2C(N)=[NH2+])o1 ZINC000071268446 176102099 /nfs/dbraw/zinc/10/20/99/176102099.db2.gz YDSWFZCXBCOECE-UHFFFAOYSA-N 1 0 266.301 2.093 10 0 CEAERO Cn1ccnc1Cn1c(N)[nH+]c2cc(Cl)ccc21 ZINC000071274555 176106041 /nfs/dbraw/zinc/10/60/41/176106041.db2.gz NUNYCEDIXJZHOJ-UHFFFAOYSA-N 1 0 261.716 2.054 10 0 CEAERO CCOC(=O)CCCCC[NH2+]C[C@H]1CCCOC1 ZINC000071293645 176111657 /nfs/dbraw/zinc/11/16/57/176111657.db2.gz BDCZPZGQQDZZJP-CYBMUJFWSA-N 1 0 257.374 2.126 10 0 CEAERO CCN(C(=O)c1cc(Cl)ccc1OC)[C@@H]1CC[NH2+]C1 ZINC000071312592 176119198 /nfs/dbraw/zinc/11/91/98/176119198.db2.gz GCPWQLPBOQJNNO-LLVKDONJSA-N 1 0 282.771 2.173 10 0 CEAERO CCN([C@@H](C)Cc1ccc(OC)cc1)[C@@H]1CC[NH2+]C1 ZINC000071312341 176119376 /nfs/dbraw/zinc/11/93/76/176119376.db2.gz JLVOQCRPQWDVDS-DZGCQCFKSA-N 1 0 262.397 2.310 10 0 CEAERO Cn1nccc1Cn1ccc2c1CC(C)(C)C[C@H]2[NH3+] ZINC000071334978 176127149 /nfs/dbraw/zinc/12/71/49/176127149.db2.gz GUHNZVMEKQBOPD-CYBMUJFWSA-N 1 0 258.369 2.242 10 0 CEAERO C[C@@H]1CCC[NH2+][C@H]1CNC(=O)c1ccc(OC(F)F)cc1 ZINC000071338574 176129044 /nfs/dbraw/zinc/12/90/44/176129044.db2.gz WPEARTWCFAASKD-MFKMUULPSA-N 1 0 298.333 2.406 10 0 CEAERO COc1ccc(CCC(=O)NC[C@@H]2[NH2+]CCC[C@H]2C)cc1 ZINC000071338634 176129170 /nfs/dbraw/zinc/12/91/70/176129170.db2.gz JZXZTGJGGHFINV-CJNGLKHVSA-N 1 0 290.407 2.132 10 0 CEAERO C[C@@H]1CCC[NH2+][C@H]1CNC(=O)Nc1ccc(F)cc1 ZINC000071338947 176129265 /nfs/dbraw/zinc/12/92/65/176129265.db2.gz OTHKSRUBEWMADN-MFKMUULPSA-N 1 0 265.332 2.335 10 0 CEAERO C[C@@H]1CCC[NH2+][C@@H]1CNC(=O)Nc1ccc(F)cc1 ZINC000071338945 176129397 /nfs/dbraw/zinc/12/93/97/176129397.db2.gz OTHKSRUBEWMADN-ZWNOBZJWSA-N 1 0 265.332 2.335 10 0 CEAERO C[C@H]1CCC[NH2+][C@H]1CNC(=O)NC1CCCCC1 ZINC000071338934 176129520 /nfs/dbraw/zinc/12/95/20/176129520.db2.gz YHLKYDSMKYKPQP-AAEUAGOBSA-N 1 0 253.390 2.006 10 0 CEAERO C[C@H]1CCC[NH2+][C@@H]1CNC(=O)Nc1ccccc1F ZINC000071338940 176129575 /nfs/dbraw/zinc/12/95/75/176129575.db2.gz NOPPNOPYOHBBIQ-GXFFZTMASA-N 1 0 265.332 2.335 10 0 CEAERO Cc1cccnc1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000071339365 176129867 /nfs/dbraw/zinc/12/98/67/176129867.db2.gz ITONWAQKLLNEAO-UHFFFAOYSA-N 1 0 262.353 2.165 10 0 CEAERO CC[C@@H](C)[C@@H]1CNC(C)(C)C[N@@H+]1CCCn1ccnc1 ZINC000071342524 176130543 /nfs/dbraw/zinc/13/05/43/176130543.db2.gz MLJBLLZFAFQSGL-CABCVRRESA-N 1 0 278.444 2.372 10 0 CEAERO COCCOCCN1CC(C)(C)[NH2+]C[C@H]1c1ccccc1 ZINC000071342958 176130653 /nfs/dbraw/zinc/13/06/53/176130653.db2.gz SORRCPFUUMTTJB-INIZCTEOSA-N 1 0 292.423 2.075 10 0 CEAERO COc1cccc(CN2CC(C)(C)[NH2+]C[C@@H]2C2CC2)n1 ZINC000071342793 176130694 /nfs/dbraw/zinc/13/06/94/176130694.db2.gz PMMMBSGDMPYWLN-CQSZACIVSA-N 1 0 275.396 2.053 10 0 CEAERO CC1(C)C[N@H+](CCCn2ccnc2)[C@](C)(C2CC2)CN1 ZINC000071343330 176130861 /nfs/dbraw/zinc/13/08/61/176130861.db2.gz BXZIHVNKANPERD-INIZCTEOSA-N 1 0 276.428 2.126 10 0 CEAERO CC1(C)C[N@H+](C[C@@H]2CCOC2)[C@@H](c2ccccc2)CN1 ZINC000071342967 176130877 /nfs/dbraw/zinc/13/08/77/176130877.db2.gz HSPPFNUVXCDIPK-GOEBONIOSA-N 1 0 274.408 2.448 10 0 CEAERO CC[C@@H]1CN(CCn2cccn2)[C@H](c2ccccc2)C[NH2+]1 ZINC000071344415 176130924 /nfs/dbraw/zinc/13/09/24/176130924.db2.gz WZQZEYWVSHZUDB-SJORKVTESA-N 1 0 284.407 2.308 10 0 CEAERO CCn1cc(CN2CC(C)(C)[NH2+]C[C@@]2(C)C2CC2)cn1 ZINC000071343381 176131012 /nfs/dbraw/zinc/13/10/12/176131012.db2.gz CKJCWCHMIHZJHW-INIZCTEOSA-N 1 0 276.428 2.256 10 0 CEAERO CC(C)C[C@@H]1CN(CCn2cccn2)[C@H](C(C)C)C[NH2+]1 ZINC000071350550 176134063 /nfs/dbraw/zinc/13/40/63/176134063.db2.gz VNBRNRPQGUWFRW-CVEARBPZSA-N 1 0 278.444 2.228 10 0 CEAERO CC(C)c1ccc(CN2CCC[N@H+](CCO)CC2)cc1 ZINC000071350282 176134252 /nfs/dbraw/zinc/13/42/52/176134252.db2.gz SYYNXRVMFFVJFW-UHFFFAOYSA-N 1 0 276.424 2.310 10 0 CEAERO CC(C)C[C@@H]1C[N@H+](CCCn2ccnc2)[C@H](C2CC2)CN1 ZINC000071351107 176134429 /nfs/dbraw/zinc/13/44/29/176134429.db2.gz PVLUUKVXGPQJRJ-SJORKVTESA-N 1 0 290.455 2.372 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](Cc2ccccc2)CN1C[C@@H]1CCCO1 ZINC000071352514 176135611 /nfs/dbraw/zinc/13/56/11/176135611.db2.gz XSMOPRVWOQTSPZ-PVAVHDDUSA-N 1 0 274.408 2.070 10 0 CEAERO CCOCCN1C[C@@H](Cc2ccccc2)[NH2+]CC1(C)C ZINC000071353232 176135799 /nfs/dbraw/zinc/13/57/99/176135799.db2.gz UBROFCGQRHSCLI-MRXNPFEDSA-N 1 0 276.424 2.318 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@H](Cc2ccccc2)CN1CCOC ZINC000071353374 176136356 /nfs/dbraw/zinc/13/63/56/176136356.db2.gz QDWFOSXQYHGQRP-SJORKVTESA-N 1 0 276.424 2.318 10 0 CEAERO CCC[C@H]1C[NH2+][C@@H]([C@@H](C)CC)CN1CCOCCOC ZINC000071354608 176136473 /nfs/dbraw/zinc/13/64/73/176136473.db2.gz UPEDZVRLVLNDFG-HRCADAONSA-N 1 0 286.460 2.138 10 0 CEAERO CC[C@H](C)[C@H]1CN(CCn2cccn2)[C@@](C)(CC)C[NH2+]1 ZINC000071355889 176136607 /nfs/dbraw/zinc/13/66/07/176136607.db2.gz MHXWJXWJKYXESC-XHSDSOJGSA-N 1 0 278.444 2.372 10 0 CEAERO Cc1nccn1CC[N@H+]1CC2(CCCC2)NC[C@H]1C(C)C ZINC000071358501 176137876 /nfs/dbraw/zinc/13/78/76/176137876.db2.gz GPCKNSGQDNSXCR-INIZCTEOSA-N 1 0 290.455 2.434 10 0 CEAERO CC[C@@H](C)[C@@H]1C[NH2+][C@@](C)(CC)CN1Cc1cnn(C)c1 ZINC000071357188 176137924 /nfs/dbraw/zinc/13/79/24/176137924.db2.gz SLCUDJFXRNLFLD-KBMXLJTQSA-N 1 0 278.444 2.409 10 0 CEAERO C[C@@H]1CNC2(CCCCC2)C[N@@H+]1CC1CCOCC1 ZINC000071359342 176137946 /nfs/dbraw/zinc/13/79/46/176137946.db2.gz ZHIBZVBQRPTWII-CQSZACIVSA-N 1 0 266.429 2.410 10 0 CEAERO CC[C@@H]1CNC2(CCCC2)C[N@@H+]1CC1CCOCC1 ZINC000071358364 176137985 /nfs/dbraw/zinc/13/79/85/176137985.db2.gz FXTVWZXPRYQDGZ-OAHLLOKOSA-N 1 0 266.429 2.410 10 0 CEAERO CCC[C@@H]1C[NH2+]C2(CCCC2)CN1CCOCCOC ZINC000071358436 176138090 /nfs/dbraw/zinc/13/80/90/176138090.db2.gz FCWRQHBCILASDB-OAHLLOKOSA-N 1 0 284.444 2.036 10 0 CEAERO Cc1ccc(C)c(CSc2nnc(C[NH3+])n2C)c1 ZINC000071374164 176139980 /nfs/dbraw/zinc/13/99/80/176139980.db2.gz ZKXNCXBPAADQPA-UHFFFAOYSA-N 1 0 262.382 2.183 10 0 CEAERO [NH3+]Cc1nnc(SCc2cccnc2Cl)n1C1CC1 ZINC000071376335 176140961 /nfs/dbraw/zinc/14/09/61/176140961.db2.gz XPVGSNOPVXXTEL-UHFFFAOYSA-N 1 0 295.799 2.412 10 0 CEAERO C[N@H+](CCNc1ccccc1S(C)(=O)=O)C1CCCC1 ZINC000071377593 176143068 /nfs/dbraw/zinc/14/30/68/176143068.db2.gz FLDFMXPLYGQBGZ-UHFFFAOYSA-N 1 0 296.436 2.376 10 0 CEAERO CCC[C@@H](C)NC(=O)COc1ccc(C)cc1C[NH2+]C ZINC000071403454 176154637 /nfs/dbraw/zinc/15/46/37/176154637.db2.gz WQVUZCLWSVDGHZ-CYBMUJFWSA-N 1 0 278.396 2.398 10 0 CEAERO CC[C@@H](Oc1ccc(C)cc1C[NH2+]CC(C)C)C(N)=O ZINC000071407296 176156396 /nfs/dbraw/zinc/15/63/96/176156396.db2.gz VUVBFQSFUSMQJA-CQSZACIVSA-N 1 0 278.396 2.383 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc(C)ccc1OCC(=O)N(C)CC ZINC000071412070 176157450 /nfs/dbraw/zinc/15/74/50/176157450.db2.gz OJLQFEHZYCRWTM-CQSZACIVSA-N 1 0 278.396 2.132 10 0 CEAERO [NH3+]CC[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000071485007 176189419 /nfs/dbraw/zinc/18/94/19/176189419.db2.gz CEIRXDLTBFIZPM-CYBMUJFWSA-N 1 0 262.353 2.384 10 0 CEAERO CC[NH2+][C@H](C)[C@H](O)c1cc(OC)c(C)cc1OC ZINC000071574794 176201802 /nfs/dbraw/zinc/20/18/02/176201802.db2.gz CSBMONGGIZCBAC-YGRLFVJLSA-N 1 0 253.342 2.044 10 0 CEAERO Brc1ccccc1N1CCC[NH2+]CC1 ZINC000071576400 176204354 /nfs/dbraw/zinc/20/43/54/176204354.db2.gz BSUJYCSEJUHZCN-UHFFFAOYSA-N 1 0 255.159 2.249 10 0 CEAERO COCCOc1ccc(-c2csc(C[NH3+])n2)cc1 ZINC000071596825 176220249 /nfs/dbraw/zinc/22/02/49/176220249.db2.gz ASGIPLSLRVHYCE-UHFFFAOYSA-N 1 0 264.350 2.294 10 0 CEAERO C[NH2+][C@H](C(C)C)[C@H](O)c1ccc(OC)c(C)c1OC ZINC000071599202 176223579 /nfs/dbraw/zinc/22/35/79/176223579.db2.gz MRACEWZTYMKXEH-ZIAGYGMSSA-N 1 0 267.369 2.290 10 0 CEAERO Brc1ccc(CC[C@@H]2COCC[NH2+]2)cc1 ZINC000071601305 176228363 /nfs/dbraw/zinc/22/83/63/176228363.db2.gz HIBJTEDDXAJNJV-GFCCVEGCSA-N 1 0 270.170 2.370 10 0 CEAERO C[C@](O)(c1ccc2c(c1)OCCCO2)[C@@H]1CCC[NH2+]C1 ZINC000071628232 176236355 /nfs/dbraw/zinc/23/63/55/176236355.db2.gz JXXFMDQTVFADFD-CJNGLKHVSA-N 1 0 277.364 2.055 10 0 CEAERO COc1ccc([C@H](O)[C@@H]([NH3+])C(C)C)cc1Br ZINC000071644293 176239461 /nfs/dbraw/zinc/23/94/61/176239461.db2.gz PKPMKXCYDDKNRN-RYUDHWBXSA-N 1 0 288.185 2.474 10 0 CEAERO OCC[C@H]1CCCC[N@@H+]1Cc1cnc2ccccc2n1 ZINC000659879957 415755986 /nfs/dbraw/zinc/75/59/86/415755986.db2.gz ZOGDCYCYHMLJHP-CQSZACIVSA-N 1 0 271.364 2.367 10 0 CEAERO O[C@]12CCCC[C@@H]1C[N@H+](CCO[C@@H]1CC1(F)F)CC2 ZINC000660013187 415851923 /nfs/dbraw/zinc/85/19/23/415851923.db2.gz POHWOEAFWQGZDQ-UPJWGTAASA-N 1 0 275.339 2.038 10 0 CEAERO CCc1cc2c(ncnc2N(C)CC(C)(C)[NH3+])s1 ZINC000656607962 415783639 /nfs/dbraw/zinc/78/36/39/415783639.db2.gz BOXAEQCJKYQAER-UHFFFAOYSA-N 1 0 264.398 2.427 10 0 CEAERO Clc1cncnc1N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656609031 415784419 /nfs/dbraw/zinc/78/44/19/415784419.db2.gz JPYVKTDKFRCKGV-LBPRGKRZSA-N 1 0 280.803 2.346 10 0 CEAERO CC[C@H]([NH2+]C)C(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000662394633 415821688 /nfs/dbraw/zinc/82/16/88/415821688.db2.gz LJZNRABQFHMLTB-UONOGXRCSA-N 1 0 296.798 2.238 10 0 CEAERO CC(C)[N@H+](C)C[C@@H](O)CN1CCCC[C@H]1c1nccs1 ZINC000656700388 415822792 /nfs/dbraw/zinc/82/27/92/415822792.db2.gz IKNNVLCNKBRKLL-KGLIPLIRSA-N 1 0 297.468 2.371 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCC(C2CCC2)CC1 ZINC000662631835 415913701 /nfs/dbraw/zinc/91/37/01/415913701.db2.gz YUUYJWOKRWEMBF-AWEZNQCLSA-N 1 0 252.402 2.399 10 0 CEAERO O=C(CC[NH+]1CCCCC1)NCCc1cccs1 ZINC000074693765 176600510 /nfs/dbraw/zinc/60/05/10/176600510.db2.gz LITWQUWLKZYTME-UHFFFAOYSA-N 1 0 266.410 2.283 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)N1CCC[C@H](C2CCC2)C1 ZINC000662716486 415941693 /nfs/dbraw/zinc/94/16/93/415941693.db2.gz UEFWNALKMQWJTM-UONOGXRCSA-N 1 0 252.402 2.399 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCC[C@@H](C2CCC2)C1 ZINC000662716167 415942098 /nfs/dbraw/zinc/94/20/98/415942098.db2.gz RHTROYGHBOKXMP-CFVMTHIKSA-N 1 0 264.413 2.413 10 0 CEAERO CCC1(CC)CCCN(C(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000662694181 415932013 /nfs/dbraw/zinc/93/20/13/415932013.db2.gz XTJQORYUZINMTC-ZDUSSCGKSA-N 1 0 252.402 2.415 10 0 CEAERO CC(C)[C@@H](CNC(=O)N[C@@H]1C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000076057498 176894679 /nfs/dbraw/zinc/89/46/79/176894679.db2.gz QZWAZIJUGMLJOB-RRFJBIMHSA-N 1 0 281.444 2.451 10 0 CEAERO Cc1ccc(Br)cc1[C@H](C[NH3+])N(C)C ZINC000076306668 176977167 /nfs/dbraw/zinc/97/71/67/176977167.db2.gz HMCYPUHZRPSDCM-NSHDSACASA-N 1 0 257.175 2.319 10 0 CEAERO COc1ccc(C(=O)[C@H](C)[NH2+]C2CC2)c(OC)c1C ZINC000076362308 177002607 /nfs/dbraw/zinc/00/26/07/177002607.db2.gz FPFDJSHSCFRKSI-JTQLQIEISA-N 1 0 263.337 2.335 10 0 CEAERO C[NH2+]CCC(=O)N(C)c1cc(C(C)C)ccc1OC ZINC000076369120 177006255 /nfs/dbraw/zinc/00/62/55/177006255.db2.gz NKPBXMWYLUVFJP-UHFFFAOYSA-N 1 0 264.369 2.391 10 0 CEAERO CCOc1cc(C)c(N(C)C(=O)CC[NH2+]C)cc1C ZINC000076369123 177006289 /nfs/dbraw/zinc/00/62/89/177006289.db2.gz IVNBDRIMDXGOTH-UHFFFAOYSA-N 1 0 264.369 2.274 10 0 CEAERO Cc1ccc(Br)cc1OCCN1CC[NH2+]CC1 ZINC000076499940 177029816 /nfs/dbraw/zinc/02/98/16/177029816.db2.gz QLOYOVUTIQVFRW-UHFFFAOYSA-N 1 0 299.212 2.042 10 0 CEAERO COc1cccc(NC(=O)[C@H](CC[NH3+])C(C)C)c1 ZINC000076654576 177044357 /nfs/dbraw/zinc/04/43/57/177044357.db2.gz VZLXMLHJXAOZRR-CYBMUJFWSA-N 1 0 250.342 2.255 10 0 CEAERO CC[C@@H](C)NC(=O)[C@H](CC[NH3+])c1ccccc1F ZINC000076656555 177045923 /nfs/dbraw/zinc/04/59/23/177045923.db2.gz SPSXPMXCLHRRSN-ZYHUDNBSSA-N 1 0 252.333 2.173 10 0 CEAERO CCNC(=O)CC[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000076659023 177047467 /nfs/dbraw/zinc/04/74/67/177047467.db2.gz NBGPKZOMIQBNHM-NSHDSACASA-N 1 0 254.761 2.299 10 0 CEAERO COc1ccc(Cl)cc1NC(=O)[C@H](C)CC[NH3+] ZINC000076663469 177050198 /nfs/dbraw/zinc/05/01/98/177050198.db2.gz FYQZQBPWGHGFSF-MRVPVSSYSA-N 1 0 256.733 2.272 10 0 CEAERO CC(=O)c1cccc(NC(=O)[C@H](CC[NH3+])C(C)C)c1 ZINC000076674765 177055458 /nfs/dbraw/zinc/05/54/58/177055458.db2.gz TWMJJQDQSNFKMQ-CQSZACIVSA-N 1 0 262.353 2.449 10 0 CEAERO COc1ccc(C)cc1N(CCC(C)C)C(=O)C[NH3+] ZINC000076680193 177057756 /nfs/dbraw/zinc/05/77/56/177057756.db2.gz VQOYLFRXCPMCDR-UHFFFAOYSA-N 1 0 264.369 2.341 10 0 CEAERO Cc1nc(C)c(C[NH2+]C[C@@H](C(C)C)N(C)C)s1 ZINC000076866003 177125056 /nfs/dbraw/zinc/12/50/56/177125056.db2.gz KXOLTIPKVHWQKQ-LBPRGKRZSA-N 1 0 255.431 2.436 10 0 CEAERO CC(C)CNC(=O)C[NH2+]Cc1cccc(OC(C)C)c1 ZINC000077170739 177229334 /nfs/dbraw/zinc/22/93/34/177229334.db2.gz HIRAZJVOFMWZJL-UHFFFAOYSA-N 1 0 278.396 2.336 10 0 CEAERO C[NH2+]C[C@H](O)CN(C)c1ccccc1C(C)(C)C ZINC000077432351 177268512 /nfs/dbraw/zinc/26/85/12/177268512.db2.gz QDFIYZDGNXZUJO-LBPRGKRZSA-N 1 0 250.386 2.001 10 0 CEAERO CC(C)[NH2+]Cc1ccc(OCCO)cc1Br ZINC000078302375 177331698 /nfs/dbraw/zinc/33/16/98/177331698.db2.gz QPTMMMPJVIKQKL-UHFFFAOYSA-N 1 0 288.185 2.318 10 0 CEAERO COCc1cccc(Oc2c(C[NH3+])c(C)nn2C)c1 ZINC000078449653 177342658 /nfs/dbraw/zinc/34/26/58/177342658.db2.gz ZXMKIMPSPLDMQH-UHFFFAOYSA-N 1 0 261.325 2.126 10 0 CEAERO CC(C)N(C(=O)C[N@H+](C)CC(C)(C)O)C1CCCCC1 ZINC000078778809 177387408 /nfs/dbraw/zinc/38/74/08/177387408.db2.gz FCXFZRISBRLWRC-UHFFFAOYSA-N 1 0 284.444 2.259 10 0 CEAERO COCC[NH+](CCOC)Cc1ccc(N)c(Cl)c1 ZINC000078896965 177402998 /nfs/dbraw/zinc/40/29/98/177402998.db2.gz UJPKBWPLQQJXRN-UHFFFAOYSA-N 1 0 272.776 2.017 10 0 CEAERO C[C@@H](CC[NH3+])CCC(=O)Nc1ccc(Cl)cn1 ZINC000079079451 177429923 /nfs/dbraw/zinc/42/99/23/177429923.db2.gz RKCBVYRHEYNDIT-SECBINFHSA-N 1 0 255.749 2.439 10 0 CEAERO C[C@@H](CC[NH3+])CCC(=O)NCc1cccc(F)c1 ZINC000079079563 177429962 /nfs/dbraw/zinc/42/99/62/177429962.db2.gz OEWMKUNSFMKOFU-LLVKDONJSA-N 1 0 252.333 2.207 10 0 CEAERO CCC[C@H](CC[NH3+])CCC(=O)N1CCOC[C@H]1CC ZINC000079237062 177453109 /nfs/dbraw/zinc/45/31/09/177453109.db2.gz HSGDDTQYGQQCEY-UONOGXRCSA-N 1 0 270.417 2.169 10 0 CEAERO CCO[C@H]1CCCN(C(=O)CC[C@H](CC[NH3+])C(C)C)C1 ZINC000079278172 177461850 /nfs/dbraw/zinc/46/18/50/177461850.db2.gz IQFUPCVVZDGXRX-CABCVRRESA-N 1 0 284.444 2.415 10 0 CEAERO CC(C)[C@@H](CC[NH3+])CCC(=O)NCCc1nccs1 ZINC000079278751 177462359 /nfs/dbraw/zinc/46/23/59/177462359.db2.gz LTDFPYNMLWJLLI-GFCCVEGCSA-N 1 0 283.441 2.203 10 0 CEAERO Cc1ncsc1CNC(=O)CC[C@@H](CC[NH3+])C(C)C ZINC000079278774 177462493 /nfs/dbraw/zinc/46/24/93/177462493.db2.gz YFLPDKOCLKSAKZ-LBPRGKRZSA-N 1 0 283.441 2.469 10 0 CEAERO CC1CCC(CCNC(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000079521760 177514781 /nfs/dbraw/zinc/51/47/81/177514781.db2.gz ATUYHKOWOSVNGN-PIMMBPRGSA-N 1 0 252.402 2.461 10 0 CEAERO CCC[C@H](COC)[NH2+]C[C@@H](O)CO[C@@H]1CCCC[C@@H]1C ZINC000079743675 177549078 /nfs/dbraw/zinc/54/90/78/177549078.db2.gz NSBORBFTZGGRBP-ZJIFWQFVSA-N 1 0 287.444 2.347 10 0 CEAERO CCN(C[C@H](C)C(N)=[NH2+])C(=O)Nc1ccc(C)cc1 ZINC000079778976 177557016 /nfs/dbraw/zinc/55/70/16/177557016.db2.gz YGBDUBFJPALHSQ-NSHDSACASA-N 1 0 262.357 2.421 10 0 CEAERO Cc1nn(C[C@@H]2CCCO2)c(C)c1CC[NH2+]C(C)C ZINC000080064061 177604280 /nfs/dbraw/zinc/60/42/80/177604280.db2.gz UIABRLZHPHVXJK-AWEZNQCLSA-N 1 0 265.401 2.219 10 0 CEAERO CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1NC(=O)c1cc[nH+]c(NN)c1 ZINC000080160682 177616697 /nfs/dbraw/zinc/61/66/97/177616697.db2.gz AUMUJTDPYGVTSC-XFJVYGCCSA-N 1 0 288.395 2.312 10 0 CEAERO C[C@H](C[NH2+][C@@H]1CC(C)(C)C[C@H]1C)N1CCOCC1 ZINC000193121743 228058894 /nfs/dbraw/zinc/05/88/94/228058894.db2.gz QTNJNGYAPNFNRN-MGPQQGTHSA-N 1 0 254.418 2.121 10 0 CEAERO C[C@@]1(C(=O)N2CCC3(CC3(F)F)CC2)CCCC[NH2+]1 ZINC000405108571 419401169 /nfs/dbraw/zinc/40/11/69/419401169.db2.gz MGGQFTWMPJPDRZ-LBPRGKRZSA-N 1 0 272.339 2.166 10 0 CEAERO Cc1cnc([C@H](C)NC(=O)[C@H]2CCC[C@@H]2C[NH3+])s1 ZINC000135366242 419441948 /nfs/dbraw/zinc/44/19/48/419441948.db2.gz HPHDCQAKEAOKJX-AXFHLTTASA-N 1 0 267.398 2.004 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)Nc1ccc(-n2cccn2)cc1 ZINC000136335348 419444228 /nfs/dbraw/zinc/44/42/28/419444228.db2.gz PRAFGEVXPYMEBQ-CQSZACIVSA-N 1 0 272.352 2.184 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)NCc1ccc(Cl)cc1 ZINC000136307044 419444604 /nfs/dbraw/zinc/44/46/04/419444604.db2.gz HZSSXCWCMBYKPQ-GFCCVEGCSA-N 1 0 254.761 2.330 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)NCCc1ccc(Cl)cc1 ZINC000136434471 419447518 /nfs/dbraw/zinc/44/75/18/419447518.db2.gz SHXUMFCHWZGALQ-ZDUSSCGKSA-N 1 0 268.788 2.372 10 0 CEAERO C[C@@H]1CCN(c2ccncc2Br)[C@@H](C[NH3+])C1 ZINC000235371103 287605243 /nfs/dbraw/zinc/60/52/43/287605243.db2.gz FFOQUDGIMWXKTA-NXEZZACHSA-N 1 0 284.201 2.408 10 0 CEAERO C[C@H](CC[NH2+]C[C@H]1CCCOC1)NC(=O)OC(C)(C)C ZINC000224803771 270309385 /nfs/dbraw/zinc/30/93/85/270309385.db2.gz QOCNMKXGIBHAFZ-CHWSQXEVSA-N 1 0 286.416 2.306 10 0 CEAERO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC(=O)N[C@@H]2C)C1 ZINC000392866153 270341533 /nfs/dbraw/zinc/34/15/33/270341533.db2.gz HKYQOCDJJVOMAA-MQYQWHSLSA-N 1 0 252.402 2.458 10 0 CEAERO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C)C1 ZINC000392866155 270341624 /nfs/dbraw/zinc/34/16/24/270341624.db2.gz HKYQOCDJJVOMAA-RFQIPJPRSA-N 1 0 252.402 2.458 10 0 CEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C[C@H]1CCCCC1(F)F ZINC000393092781 270341676 /nfs/dbraw/zinc/34/16/76/270341676.db2.gz MDPJLFUSBNIIJK-HBNTYKKESA-N 1 0 260.328 2.069 10 0 CEAERO Cc1noc(C)c1[C@@H](C)CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179247458 261774666 /nfs/dbraw/zinc/77/46/66/261774666.db2.gz JILOEZTWGXGTFQ-SMDDNHRTSA-N 1 0 291.395 2.092 10 0 CEAERO C[C@H](NC(=O)[C@H]1CC[C@@H](C)O1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187178066 270253580 /nfs/dbraw/zinc/25/35/80/270253580.db2.gz FCCJGCQIOIDPCA-CLWVCHIJSA-N 1 0 290.407 2.362 10 0 CEAERO CCC[C@H](C)[NH+]1CCN([C@H](C)c2nc(CC)no2)CC1 ZINC000187683204 270255478 /nfs/dbraw/zinc/25/54/78/270255478.db2.gz AHTABKNTOMAVDM-QWHCGFSZSA-N 1 0 280.416 2.499 10 0 CEAERO CC[C@H]([NH2+]CCO)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000188648214 270257485 /nfs/dbraw/zinc/25/74/85/270257485.db2.gz ZVCPBNYBWWUBIF-STQMWFEESA-N 1 0 286.416 2.137 10 0 CEAERO C[C@@H](C1CC1)[NH+](C[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000192939497 270281761 /nfs/dbraw/zinc/28/17/61/270281761.db2.gz MLVGVTSJSAVVOM-QEJZJMRPSA-N 1 0 253.386 2.445 10 0 CEAERO CCOc1ncccc1NC(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000194342055 270297494 /nfs/dbraw/zinc/29/74/94/270297494.db2.gz UTDXELPQOMKDDL-GFCCVEGCSA-N 1 0 292.383 2.086 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CC=CCC2)C1 ZINC000250111826 270328041 /nfs/dbraw/zinc/32/80/41/270328041.db2.gz LQDXTZDNLYOZFX-KGLIPLIRSA-N 1 0 265.401 2.126 10 0 CEAERO Cc1csc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)n1 ZINC000398713285 270361089 /nfs/dbraw/zinc/36/10/89/270361089.db2.gz PJGVQVNJKWVHAB-SDDRHHMPSA-N 1 0 252.383 2.044 10 0 CEAERO C[C@H](NC(=O)[C@H]([NH3+])C1CCC1)c1ccc(F)c(F)c1 ZINC000398968267 270365342 /nfs/dbraw/zinc/36/53/42/270365342.db2.gz SWAWOFRMETZWRL-ISVAXAHUSA-N 1 0 268.307 2.269 10 0 CEAERO COc1c(C)cnc(C[N@@H+]2C[C@H](O)CC[C@@H]2C)c1C ZINC000399160212 270366520 /nfs/dbraw/zinc/36/65/20/270366520.db2.gz BPPUBOPDCJBIGR-WCQYABFASA-N 1 0 264.369 2.052 10 0 CEAERO C[C@H]1CC[C@H](O)C[N@@H+]1CCCOCc1ccccc1 ZINC000399220879 270367503 /nfs/dbraw/zinc/36/75/03/270367503.db2.gz VWXPPESHEBPMAX-HOCLYGCPSA-N 1 0 263.381 2.439 10 0 CEAERO COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)CC2 ZINC000149399797 274127826 /nfs/dbraw/zinc/12/78/26/274127826.db2.gz KBJWKUHSMFLHQG-DJSGYFEHSA-N 1 0 261.365 2.320 10 0 CEAERO Cc1cn2c([nH]c3ccccc3c2=O)c1-[n+]1ccccc1 ZINC000002654020 274823091 /nfs/dbraw/zinc/82/30/91/274823091.db2.gz YBUUNZQUTGYIKE-UHFFFAOYSA-O 1 0 276.319 2.366 10 0 CEAERO Cc1cnn(CC[NH2+][C@H](C)c2nc3ccccc3n2C)c1 ZINC000180158389 274830364 /nfs/dbraw/zinc/83/03/64/274830364.db2.gz UBGZQGVMBOTNFX-CYBMUJFWSA-N 1 0 283.379 2.429 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]2CN(c3ccc(Br)cn3)C[C@H]21 ZINC000228551142 274957441 /nfs/dbraw/zinc/95/74/41/274957441.db2.gz JTLDVDOKBBLDCL-YUSALJHKSA-N 1 0 296.212 2.408 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]2CN(c3cncc(Br)c3)C[C@@H]21 ZINC000261548225 274957443 /nfs/dbraw/zinc/95/74/43/274957443.db2.gz JCXUPGAQFIAOFK-JIMOISOXSA-N 1 0 296.212 2.408 10 0 CEAERO O=C1Nc2ccccc2CC[C@H]1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000192108537 275025962 /nfs/dbraw/zinc/02/59/62/275025962.db2.gz NCOZEECQJMGIMJ-NVXWUHKLSA-N 1 0 299.418 2.110 10 0 CEAERO CC1(C)CN(C(=O)[C@@H]2CSc3ccccc32)CC[C@@H]1[NH3+] ZINC000261843273 275839878 /nfs/dbraw/zinc/83/98/78/275839878.db2.gz VZEDJLFGDHAFOT-OCCSQVGLSA-N 1 0 290.432 2.462 10 0 CEAERO CC1(C)CN(C(=O)c2nccc3ccccc32)CC[C@H]1[NH3+] ZINC000261775716 275843718 /nfs/dbraw/zinc/84/37/18/275843718.db2.gz WMKREPZDMXUQMG-CQSZACIVSA-N 1 0 283.375 2.434 10 0 CEAERO CCC[C@@H](C(=O)NCCC[C@H]1CCCCO1)[NH+](C)C ZINC000183431974 276020903 /nfs/dbraw/zinc/02/09/03/276020903.db2.gz KENDZEVVFSGHOU-KGLIPLIRSA-N 1 0 270.417 2.182 10 0 CEAERO CC1(C)CCCC[C@@H]1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000176797380 276103222 /nfs/dbraw/zinc/10/32/22/276103222.db2.gz MTTQPPIBHBDFKB-KGLIPLIRSA-N 1 0 279.428 2.445 10 0 CEAERO CC[NH+](CC)C[C@H](C)N[C@H]1CC(=O)N(C)c2ccccc21 ZINC000045693275 276108849 /nfs/dbraw/zinc/10/88/49/276108849.db2.gz VDAMTONGTKQSJI-ZFWWWQNUSA-N 1 0 289.423 2.414 10 0 CEAERO CC1(C)C[C@@H](NC(=O)C[C@@H]2CC[NH2+]C2)c2ccccc2O1 ZINC000129613163 276141422 /nfs/dbraw/zinc/14/14/22/276141422.db2.gz JDIJCRRUPJSLDG-GXTWGEPZSA-N 1 0 288.391 2.405 10 0 CEAERO CCN1CCN(C[C@]2(C)CC[NH2+]C2)c2ccccc21 ZINC000261932831 276196516 /nfs/dbraw/zinc/19/65/16/276196516.db2.gz CYUXDBIVAUPGEY-MRXNPFEDSA-N 1 0 259.397 2.333 10 0 CEAERO CCN1CC[C@H]([NH2+][C@@H]2CCCc3ccc(O)cc32)C1 ZINC000334579879 276230591 /nfs/dbraw/zinc/23/05/91/276230591.db2.gz QADFZTBHPPAZQC-XJKSGUPXSA-N 1 0 260.381 2.453 10 0 CEAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)CC2 ZINC000180618122 276703100 /nfs/dbraw/zinc/70/31/00/276703100.db2.gz YOCYXWXMWBKZRL-RYUDHWBXSA-N 1 0 292.427 2.091 10 0 CEAERO CN(C(=O)[C@H]1CCC[NH2+]C1)C1CCC(C)(C)CC1 ZINC000094858641 276735090 /nfs/dbraw/zinc/73/50/90/276735090.db2.gz CKWLCGHTTDCGNH-LBPRGKRZSA-N 1 0 252.402 2.413 10 0 CEAERO CN1C(=O)C[C@H]([NH2+]CCc2nccs2)c2ccccc21 ZINC000063133901 277014518 /nfs/dbraw/zinc/01/45/18/277014518.db2.gz UXLBUMKGTBPAKZ-LBPRGKRZSA-N 1 0 287.388 2.383 10 0 CEAERO CN1CCO[C@H](C[NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)C1 ZINC000123493760 277128288 /nfs/dbraw/zinc/12/82/88/277128288.db2.gz KQAXZEATEQJHIV-ZACQAIPSSA-N 1 0 288.435 2.489 10 0 CEAERO CC(C)(C)OC(=O)CC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000131938106 277176617 /nfs/dbraw/zinc/17/66/17/277176617.db2.gz BBKQPFRTOIIORK-CJNGLKHVSA-N 1 0 283.412 2.345 10 0 CEAERO CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@H](CCO)[NH2+]C1CC1 ZINC000095086195 277182844 /nfs/dbraw/zinc/18/28/44/277182844.db2.gz HTJWTDQXKSHSTP-KGLIPLIRSA-N 1 0 298.427 2.279 10 0 CEAERO C[NH2+]C[C@@H]1CCN(c2cccc(C(F)(F)F)n2)C1 ZINC000071147912 277280133 /nfs/dbraw/zinc/28/01/33/277280133.db2.gz FIOMDUHLZBWJCZ-VIFPVBQESA-N 1 0 259.275 2.146 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)C[C@H]1C ZINC000120522709 277393914 /nfs/dbraw/zinc/39/39/14/277393914.db2.gz FKUZPPRXGRVXGS-IIAWOOMASA-N 1 0 294.439 2.228 10 0 CEAERO COc1ccc([C@@H]([NH2+]C[C@@H]2CN(C)CCO2)C2CC2)cc1 ZINC000223335322 277426737 /nfs/dbraw/zinc/42/67/37/277426737.db2.gz DSURFNSAWGJXEP-SJORKVTESA-N 1 0 290.407 2.067 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@@H]1C1CCCC1 ZINC000111272115 277934667 /nfs/dbraw/zinc/93/46/67/277934667.db2.gz BUQIVEAVCKVLCJ-MRVWCRGKSA-N 1 0 250.386 2.023 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCOC1)CCO2 ZINC000103961266 277992436 /nfs/dbraw/zinc/99/24/36/277992436.db2.gz UCEARDPMEDCJOY-SMDDNHRTSA-N 1 0 263.337 2.287 10 0 CEAERO CS[C@H](C)C[NH2+][C@H]1CC(=O)N(C)c2ccccc21 ZINC000163577071 278159341 /nfs/dbraw/zinc/15/93/41/278159341.db2.gz JNWNNKCSUIPMJG-PWSUYJOCSA-N 1 0 264.394 2.435 10 0 CEAERO C[C@@H](C(=O)N1C[C@@H](C)Cc2ccccc21)C1C[NH2+]C1 ZINC000164544093 278198327 /nfs/dbraw/zinc/19/83/27/278198327.db2.gz WHRJFECWEMRJQZ-NWDGAFQWSA-N 1 0 258.365 2.067 10 0 CEAERO CC1(C)CN(C(=O)N[C@@H]2CCC23CCCC3)CC[C@H]1[NH3+] ZINC000335143641 278304366 /nfs/dbraw/zinc/30/43/66/278304366.db2.gz ZHWRWDAQXYTQHG-CHWSQXEVSA-N 1 0 279.428 2.478 10 0 CEAERO C[C@@H]([NH3+])[C@H]1CCCN(c2nnc(C(F)(F)F)s2)C1 ZINC000160373918 278317958 /nfs/dbraw/zinc/31/79/58/278317958.db2.gz FAFZBCFFKLNIDG-RQJHMYQMSA-N 1 0 280.319 2.121 10 0 CEAERO C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000125455432 278452927 /nfs/dbraw/zinc/45/29/27/278452927.db2.gz SRWCKDBKEFARIF-ZLKJLUDKSA-N 1 0 278.783 2.264 10 0 CEAERO C[C@@H]1CCN(c2ncccc2Br)C[C@@H]1C[NH3+] ZINC000167688974 278559507 /nfs/dbraw/zinc/55/95/07/278559507.db2.gz KMLVBKKRSXWMJV-ZJUUUORDSA-N 1 0 284.201 2.265 10 0 CEAERO C[C@@H]1CCN(c2nnc(C(F)F)s2)[C@H](C[NH3+])C1 ZINC000261560511 278560307 /nfs/dbraw/zinc/56/03/07/278560307.db2.gz USCSLJHTBBYFJR-RQJHMYQMSA-N 1 0 262.329 2.039 10 0 CEAERO 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ZINC000061675927 520175656 /nfs/dbraw/zinc/17/56/56/520175656.db2.gz VLVSEKKNOPXZOT-DGCLKSJQSA-N 1 0 264.369 2.308 10 0 CEAERO CC[NH2+][C@H](C)c1cc(C)ccc1OC[C@@H](O)COCC ZINC000069275544 520176162 /nfs/dbraw/zinc/17/61/62/520176162.db2.gz VEAOPWIECVBFSK-KGLIPLIRSA-N 1 0 281.396 2.442 10 0 CEAERO CC[NH2+][C@H](c1ccnn1C)c1cc(F)cc(F)c1 ZINC000069467640 520211368 /nfs/dbraw/zinc/21/13/68/520211368.db2.gz HMMGROGFJZSZFP-ZDUSSCGKSA-N 1 0 251.280 2.397 10 0 CEAERO CCN(CC(F)(F)F)C(=O)c1cccc(CC[NH3+])c1 ZINC000053662787 520418370 /nfs/dbraw/zinc/41/83/70/520418370.db2.gz YIRKAQKXYZTIOW-UHFFFAOYSA-N 1 0 274.286 2.212 10 0 CEAERO CC[NH+](CC)CCN[C@@]1(C(=O)OC)CC[C@H](C)C[C@@H]1C ZINC000068631287 520690376 /nfs/dbraw/zinc/69/03/76/520690376.db2.gz YCXAKOBQOKOBHJ-DZKIICNBSA-N 1 0 284.444 2.286 10 0 CEAERO CCCCOCCOC[C@H](O)C[NH2+][C@@H](C)CCCC ZINC000050888334 520789920 /nfs/dbraw/zinc/78/99/20/520789920.db2.gz DEMHYHUARUQVFC-LSDHHAIUSA-N 1 0 275.433 2.349 10 0 CEAERO CCCC[C@@H](C)[NH2+]Cc1ccc(OCC(N)=O)cc1 ZINC000050886889 521007583 /nfs/dbraw/zinc/00/75/83/521007583.db2.gz ZYVWLWANRWFWSJ-GFCCVEGCSA-N 1 0 264.369 2.219 10 0 CEAERO CCOC(=O)[C@@](C[NH+](CC)CC)(NC(C)C)C1CC1 ZINC000069093685 521166424 /nfs/dbraw/zinc/16/64/24/521166424.db2.gz ZFQPJLCRFVIGMP-HNNXBMFYSA-N 1 0 270.417 2.038 10 0 CEAERO CCOC(=O)[C@H](CC[N@H+](CC1CC1)C(C)C)NC1CC1 ZINC000062525681 521242335 /nfs/dbraw/zinc/24/23/35/521242335.db2.gz YKEVLLNVNRZCJN-HNNXBMFYSA-N 1 0 282.428 2.181 10 0 CEAERO CCOC(=O)[C@H](CC[N@H+](C)C[C@H](C)CC)NC1CC1 ZINC000062447647 521242806 /nfs/dbraw/zinc/24/28/06/521242806.db2.gz ACMCESLDLKQVEI-OCCSQVGLSA-N 1 0 270.417 2.038 10 0 CEAERO CCOC(=O)[C@](C[N@H+](C)CC1CC1)(NC(C)C)C1CC1 ZINC000069100750 521337804 /nfs/dbraw/zinc/33/78/04/521337804.db2.gz CIZCXPARRMRPCN-MRXNPFEDSA-N 1 0 282.428 2.038 10 0 CEAERO CCC(CC)C[N@H+](CC)C[C@](N)(C(=O)OC)C1CC1 ZINC000069132105 521519073 /nfs/dbraw/zinc/51/90/73/521519073.db2.gz RIQWAQHXQOTBQG-OAHLLOKOSA-N 1 0 270.417 2.025 10 0 CEAERO CCCc1nc(N2CCOCC2(C)C)sc1C[NH2+]C ZINC000055001907 521532514 /nfs/dbraw/zinc/53/25/14/521532514.db2.gz VSCIQKJYISVNAU-UHFFFAOYSA-N 1 0 283.441 2.430 10 0 CEAERO CCCc1nc(N2CCO[C@@H](CC)C2)sc1C[NH2+]C ZINC000054997421 521533673 /nfs/dbraw/zinc/53/36/73/521533673.db2.gz VLFUGYAVGGCYDA-NSHDSACASA-N 1 0 283.441 2.430 10 0 CEAERO CCNC(=O)[C@@H](C)Oc1ccccc1C[NH2+]C(C)(C)C ZINC000062729235 521743970 /nfs/dbraw/zinc/74/39/70/521743970.db2.gz MPWWPBSGZPBTGG-GFCCVEGCSA-N 1 0 278.396 2.478 10 0 CEAERO CCNC(=O)[C@@H](C)Oc1cccc(C[NH2+]CC(C)C)c1 ZINC000062731456 521744009 /nfs/dbraw/zinc/74/40/09/521744009.db2.gz FOTRTIOBBPHUIW-CYBMUJFWSA-N 1 0 278.396 2.336 10 0 CEAERO CCNC(=O)[C@@H](C)Oc1ccc(C[NH2+]CC(C)C)cc1 ZINC000062728901 521744018 /nfs/dbraw/zinc/74/40/18/521744018.db2.gz UXOJATPXYQVWSK-CYBMUJFWSA-N 1 0 278.396 2.336 10 0 CEAERO C[NH2+]CCc1c(C)nc(Cc2ccccc2)nc1C ZINC000054838003 522019264 /nfs/dbraw/zinc/01/92/64/522019264.db2.gz OWCNEYOVQFLDGA-UHFFFAOYSA-N 1 0 255.365 2.446 10 0 CEAERO C[NH2+]C[C@@H](OC1CCOCC1)c1cccc(F)c1 ZINC000050485913 522036217 /nfs/dbraw/zinc/03/62/17/522036217.db2.gz SWSNIQZMCKWKPM-CQSZACIVSA-N 1 0 253.317 2.282 10 0 CEAERO C[NH2+]C[C@H](OC[C@H]1CCCO1)c1ccc(F)cc1 ZINC000050494386 522078094 /nfs/dbraw/zinc/07/80/94/522078094.db2.gz JWBKQHHKNZNMPF-KGLIPLIRSA-N 1 0 253.317 2.282 10 0 CEAERO C[NH2+]Cc1cc(C)ccc1OC[C@@H](O)C(F)(F)F ZINC000068878181 522102171 /nfs/dbraw/zinc/10/21/71/522102171.db2.gz MDWPXPYFRMINMB-LLVKDONJSA-N 1 0 263.259 2.016 10 0 CEAERO C[NH2+]Cc1oc(CN2C[C@@H](C)OC(C)(C)C2)cc1C ZINC000052543658 522159806 /nfs/dbraw/zinc/15/98/06/522159806.db2.gz CQLQHLDFMQTLKP-GFCCVEGCSA-N 1 0 266.385 2.307 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)Nc1ccc(OC)c(C)c1 ZINC000049532034 522227563 /nfs/dbraw/zinc/22/75/63/522227563.db2.gz KORVLQJMTMAAFZ-LLVKDONJSA-N 1 0 250.342 2.330 10 0 CEAERO CCc1nc(N(CC)[C@@H](C)COC)sc1C[NH2+]C ZINC000054998691 522380508 /nfs/dbraw/zinc/38/05/08/522380508.db2.gz VAKCOPZKAIFKCD-JTQLQIEISA-N 1 0 271.430 2.286 10 0 CEAERO CC[C@H]([NH2+]C)c1cccc(S(=O)(=O)N[C@H]2C[C@@H]2C)c1 ZINC000052295447 522556537 /nfs/dbraw/zinc/55/65/37/522556537.db2.gz OQOXDIONPRKPSS-BPNCWPANSA-N 1 0 282.409 2.044 10 0 CEAERO CCc1nc(Cl)c(C)c(N2CC[C@H]([NH+](C)C)C2)n1 ZINC000093537930 517863206 /nfs/dbraw/zinc/86/32/06/517863206.db2.gz JJDSGRXZWUGYQY-JTQLQIEISA-N 1 0 268.792 2.141 10 0 CEAERO CC(C)(C)C[NH+]1CCN(C(=O)C[C@H]2CCCCO2)CC1 ZINC000062456128 518663635 /nfs/dbraw/zinc/66/36/35/518663635.db2.gz ISJIOPFYBZXFLI-CQSZACIVSA-N 1 0 282.428 2.136 10 0 CEAERO CC(C)(C)[NH2+]CCc1nnc([C@@H]2CCCCO2)o1 ZINC000050973941 518759531 /nfs/dbraw/zinc/75/95/31/518759531.db2.gz KQEWTBSKKQFBJC-JTQLQIEISA-N 1 0 253.346 2.242 10 0 CEAERO CC(C)(C)[NH2+]CCc1nnc(-c2cccs2)[nH]1 ZINC000054700244 518759542 /nfs/dbraw/zinc/75/95/42/518759542.db2.gz LYZFSRZGAYXGAD-UHFFFAOYSA-N 1 0 250.371 2.464 10 0 CEAERO CC(C)(C)[NH2+]Cc1ccc(OC[C@H]2CNC(=O)O2)cc1 ZINC000062728801 518763679 /nfs/dbraw/zinc/76/36/79/518763679.db2.gz WRCQZWJSYJPDFQ-CYBMUJFWSA-N 1 0 278.352 2.062 10 0 CEAERO CC(C)(C)[NH2+]Cc1ccc(CN2CCS(=O)CC2)cc1 ZINC000052516437 518764738 /nfs/dbraw/zinc/76/47/38/518764738.db2.gz HEBRAZPNCSDTNF-UHFFFAOYSA-N 1 0 294.464 2.139 10 0 CEAERO CC(C)(C)[NH2+]Cc1nnnn1Cc1ccc(F)c(Cl)c1 ZINC000054746623 518769974 /nfs/dbraw/zinc/76/99/74/518769974.db2.gz NHIHXDUCJJJWGA-UHFFFAOYSA-N 1 0 297.765 2.402 10 0 CEAERO CC(C)(C)c1csc(NC(=O)[C@]2(C)CC[NH2+]C2)n1 ZINC000062901693 519085203 /nfs/dbraw/zinc/08/52/03/519085203.db2.gz VFFJVMANQMCUSX-CYBMUJFWSA-N 1 0 267.398 2.379 10 0 CEAERO CC(C)C[C@@H]1CN(Cc2cn3ccccc3n2)CC[NH2+]1 ZINC000068692968 519271180 /nfs/dbraw/zinc/27/11/80/519271180.db2.gz JTNPPTYTBUAGAY-CQSZACIVSA-N 1 0 272.396 2.154 10 0 CEAERO CC(C)C[C@H](C)OCCC(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000158018852 519323917 /nfs/dbraw/zinc/32/39/17/519323917.db2.gz SWWCIJJKTQRUSH-MJBXVCDLSA-N 1 0 270.417 2.071 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)n1ccc(=O)[nH]c1=S ZINC000052313088 519344559 /nfs/dbraw/zinc/34/45/59/519344559.db2.gz YMMREPRCZPZLDS-SNVBAGLBSA-N 1 0 255.387 2.055 10 0 CEAERO CC(C)C[C@H](C[NH2+]C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000052951194 519351444 /nfs/dbraw/zinc/35/14/44/519351444.db2.gz ZDSVARWRBIEOTG-QWHCGFSZSA-N 1 0 261.431 2.081 10 0 CEAERO CC(C)C[C@H]([NH2+][C@H]1CCO[C@H](C(C)C)C1)C(=O)N(C)C ZINC000070349038 519400067 /nfs/dbraw/zinc/40/00/67/519400067.db2.gz CVRYNVRKUQZHOU-KKUMJFAQSA-N 1 0 284.444 2.283 10 0 CEAERO CC(C)N(CC(F)(F)F)c1ncc(C[NH3+])s1 ZINC000054896508 519638918 /nfs/dbraw/zinc/63/89/18/519638918.db2.gz VNCOUTKWWBNCDM-UHFFFAOYSA-N 1 0 253.293 2.379 10 0 CEAERO CC(C)N(CCC[NH3+])C(=O)c1cc(F)c(F)c(F)c1 ZINC000063003851 519643037 /nfs/dbraw/zinc/64/30/37/519643037.db2.gz ZWKHYYBPLHRERU-UHFFFAOYSA-N 1 0 274.286 2.303 10 0 CEAERO CC(C)[NH+](CCCNC(=O)[C@@H]1CC[C@H](C)O1)C(C)C ZINC000158882240 519643983 /nfs/dbraw/zinc/64/39/83/519643983.db2.gz VCONCHWNPGCDCU-KBPBESRZSA-N 1 0 270.417 2.179 10 0 CEAERO CC(C)N(Cc1csc(C[NH3+])n1)CC(F)(F)F ZINC000052502832 519663660 /nfs/dbraw/zinc/66/36/60/519663660.db2.gz KSULEHHJUUUONP-UHFFFAOYSA-N 1 0 267.320 2.375 10 0 CEAERO CC(C)NC(=O)CC[NH2+]C[C@@]1(N(C)C)CCC[C@H](C)C1 ZINC000054048217 519703799 /nfs/dbraw/zinc/70/37/99/519703799.db2.gz FIIQQWJVYRUQSL-GOEBONIOSA-N 1 0 283.460 2.001 10 0 CEAERO CC(C)CN(CC(C)C)S(=O)(=O)C[C@H]1CCCC[NH2+]1 ZINC000049631251 519713404 /nfs/dbraw/zinc/71/34/04/519713404.db2.gz LGAGZMWDXDDYCA-CQSZACIVSA-N 1 0 290.473 2.072 10 0 CEAERO CC(C)NC(=O)[C@H](C[NH3+])Cc1ccc2ccccc2c1 ZINC000050304184 519715588 /nfs/dbraw/zinc/71/55/88/519715588.db2.gz LPAYIYYPTKHJOW-INIZCTEOSA-N 1 0 270.376 2.482 10 0 CEAERO CC(C)[NH2+]CCCS(=O)(=O)Nc1ccc(Cl)cc1 ZINC000049641626 519721112 /nfs/dbraw/zinc/72/11/12/519721112.db2.gz ADYZGSSCEIWLRO-UHFFFAOYSA-N 1 0 290.816 2.470 10 0 CEAERO CC(=O)Nc1ccc(N2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000054626988 519721336 /nfs/dbraw/zinc/72/13/36/519721336.db2.gz BBZJHPVTZZGSLD-PHTAMDTFSA-N 1 0 259.353 2.104 10 0 CEAERO CC(C)[NH2+]CCNC(=O)Cc1ccc(Br)cc1 ZINC000054264761 519721709 /nfs/dbraw/zinc/72/17/09/519721709.db2.gz IQFVBOXDXPQYSJ-UHFFFAOYSA-N 1 0 299.212 2.106 10 0 CEAERO CC(C)[NH2+]Cc1ccc(OC[C@H](O)C(F)(F)F)cc1 ZINC000068875917 519727332 /nfs/dbraw/zinc/72/73/32/519727332.db2.gz MYOGKGLYQAQTSX-LBPRGKRZSA-N 1 0 277.286 2.487 10 0 CEAERO CC(C)[NH2+]Cc1nnc(-c2cccc3c2OCCO3)o1 ZINC000050616039 519729777 /nfs/dbraw/zinc/72/97/77/519729777.db2.gz IZWAALLSTOPPIB-UHFFFAOYSA-N 1 0 275.308 2.006 10 0 CEAERO CC(C)[NH2+]Cc1occc1CN1CCSCC1 ZINC000052425566 519730378 /nfs/dbraw/zinc/73/03/78/519730378.db2.gz FTRPFXDLUYFQSL-UHFFFAOYSA-N 1 0 254.399 2.326 10 0 CEAERO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCS[C@@H](C)C2)C1 ZINC000150739871 519730572 /nfs/dbraw/zinc/73/05/72/519730572.db2.gz GEARQSCWFSVBHE-KBPBESRZSA-N 1 0 299.484 2.111 10 0 CEAERO CC(C)C[NH2+]Cc1c(-n2cccn2)nc2sccn12 ZINC000062738498 519746719 /nfs/dbraw/zinc/74/67/19/519746719.db2.gz WVOYXGZAHILREX-UHFFFAOYSA-N 1 0 275.381 2.327 10 0 CEAERO CC(C)C[NH2+]Cc1ccc(O[C@H]2CCCCNC2=O)cc1 ZINC000062728871 519747522 /nfs/dbraw/zinc/74/75/22/519747522.db2.gz SKOSDWITUKCMFV-INIZCTEOSA-N 1 0 290.407 2.480 10 0 CEAERO CC(C)C[NH2+]Cc1ccccc1OCCn1cncn1 ZINC000052575130 519747710 /nfs/dbraw/zinc/74/77/10/519747710.db2.gz LRGDYHVCPKDAGZ-UHFFFAOYSA-N 1 0 274.368 2.103 10 0 CEAERO CC(C)C[NH2+]Cc1nnnn1-c1ccc(Cl)cc1F ZINC000054762699 519748702 /nfs/dbraw/zinc/74/87/02/519748702.db2.gz LMJOWBLNZHQDAY-UHFFFAOYSA-N 1 0 283.738 2.200 10 0 CEAERO CC(C)OCCOC[C@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000052627606 519768631 /nfs/dbraw/zinc/76/86/31/519768631.db2.gz AFEYIHQCZXXSLG-UONOGXRCSA-N 1 0 273.417 2.364 10 0 CEAERO CC(C)OCCOc1ccc(C(N)=[NH2+])cc1Cl ZINC000049259755 519768952 /nfs/dbraw/zinc/76/89/52/519768952.db2.gz QIPVGWIXSSKURI-UHFFFAOYSA-N 1 0 256.733 2.428 10 0 CEAERO CC(C)C[C@@H](CN(C)C)[NH2+][C@H](C)C(=O)NC1CCCCC1 ZINC000049555898 519775905 /nfs/dbraw/zinc/77/59/05/519775905.db2.gz GRJDQAITMJVQBQ-ZBFHGGJFSA-N 1 0 297.487 2.390 10 0 CEAERO CC(C)Oc1cccc(C(=O)N2[C@H](C)C[NH2+]C[C@H]2C)c1 ZINC000069132907 519782477 /nfs/dbraw/zinc/78/24/77/519782477.db2.gz HAPSZTVDOFGSGL-CHWSQXEVSA-N 1 0 276.380 2.296 10 0 CEAERO CC(C)[C@@H](CN(C)C)[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000049204491 519793593 /nfs/dbraw/zinc/79/35/93/519793593.db2.gz APJRGBGQILYSGF-HUUCEWRRSA-N 1 0 268.376 2.035 10 0 CEAERO CC(C)[C@@H](C[NH+](C)C)N[C@H](c1ccco1)c1nccn1C ZINC000049198438 519793938 /nfs/dbraw/zinc/79/39/38/519793938.db2.gz KOLSFXXTTVXLOA-UKRRQHHQSA-N 1 0 290.411 2.278 10 0 CEAERO CC(C)[C@@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1cccs1 ZINC000068802618 519799169 /nfs/dbraw/zinc/79/91/69/519799169.db2.gz BNADLJDSOZRPGB-UKRRQHHQSA-N 1 0 281.469 2.281 10 0 CEAERO CC(C)[C@@H]1CCC(=O)[C@@H](C[N@H+](CCO)C(C)C)C1 ZINC000054559343 519801819 /nfs/dbraw/zinc/80/18/19/519801819.db2.gz SHYGHGZYTHJPLV-ZIAGYGMSSA-N 1 0 255.402 2.331 10 0 CEAERO CC(C)[C@H](C[NH2+]C(C)(C)C)N(C)Cc1cnn(C)c1 ZINC000052570263 519815778 /nfs/dbraw/zinc/81/57/78/519815778.db2.gz QBZNRQIZCLYXGC-AWEZNQCLSA-N 1 0 266.433 2.265 10 0 CEAERO CC(C)[C@H]1CCC(=O)[C@@H](C[NH+]2CCC(O)CC2)C1 ZINC000054558831 519824375 /nfs/dbraw/zinc/82/43/75/519824375.db2.gz XWVBRSCMCZDRCT-QWHCGFSZSA-N 1 0 253.386 2.085 10 0 CEAERO CC(C)[C@H]1CCc2nc(N3CC[NH2+]CC3)sc2C1 ZINC000054556888 519826097 /nfs/dbraw/zinc/82/60/97/519826097.db2.gz ZKXHRDCEOHDCBH-NSHDSACASA-N 1 0 265.426 2.314 10 0 CEAERO CCC1(c2nncn2-c2ccccc2)CC[NH2+]CC1 ZINC000062846093 519848247 /nfs/dbraw/zinc/84/82/47/519848247.db2.gz PSGJHVZKHOYRGO-UHFFFAOYSA-N 1 0 256.353 2.299 10 0 CEAERO CCCNC(=O)CN(C)c1ccccc1C[NH2+]CC(C)C ZINC000062737367 519874919 /nfs/dbraw/zinc/87/49/19/519874919.db2.gz CQJURDKZESVCCH-UHFFFAOYSA-N 1 0 291.439 2.395 10 0 CEAERO CCCNC(=O)COc1cc(F)ccc1[C@H](C)[NH2+]CC ZINC000062747123 519881085 /nfs/dbraw/zinc/88/10/85/519881085.db2.gz JOPRRWPLLHKXCL-NSHDSACASA-N 1 0 282.359 2.401 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N(C)CCOc1cccc(C)c1 ZINC000061295747 519903374 /nfs/dbraw/zinc/90/33/74/519903374.db2.gz NCMAQLQHZIGSHB-UHFFFAOYSA-N 1 0 278.396 2.220 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N(C)Cc1ccc(F)c(F)c1 ZINC000061294757 519903379 /nfs/dbraw/zinc/90/33/79/519903379.db2.gz MCQHNCSLPSJYEZ-UHFFFAOYSA-N 1 0 270.323 2.311 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1ccc(NC(C)=O)c(C)c1 ZINC000061290311 519907306 /nfs/dbraw/zinc/90/73/06/519907306.db2.gz IFQLOJHAOXHXSG-UHFFFAOYSA-N 1 0 277.368 2.280 10 0 CEAERO CC[NH2+]CCC(=O)N(C)Cc1cccc(Cl)c1 ZINC000061294017 519915286 /nfs/dbraw/zinc/91/52/86/519915286.db2.gz YEWHUOSVIMZOFO-UHFFFAOYSA-N 1 0 254.761 2.298 10 0 CEAERO CC[NH2+]CCC(=O)Nc1cccc(Cl)c1-n1cccn1 ZINC000061293558 519918606 /nfs/dbraw/zinc/91/86/06/519918606.db2.gz MXSOZAGLIAPFFC-UHFFFAOYSA-N 1 0 292.770 2.464 10 0 CEAERO CCC[NH2+]C[C@@H](C)Sc1nnc2ccccn21 ZINC000061409138 519921232 /nfs/dbraw/zinc/92/12/32/519921232.db2.gz LRPBKFXHUDXADQ-SNVBAGLBSA-N 1 0 250.371 2.210 10 0 CEAERO CC(C)n1c(S[C@H](c2ccccc2)[C@H](C)[NH3+])n[nH]c1=O ZINC000061595114 519923302 /nfs/dbraw/zinc/92/33/02/519923302.db2.gz PEAKFEHODYADHQ-JQWIXIFHSA-N 1 0 292.408 2.333 10 0 CEAERO 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CC[NH2+][C@@H](CC1CC1)c1ccc2c(c1)NC(=O)CO2 ZINC000049730057 520084262 /nfs/dbraw/zinc/08/42/62/520084262.db2.gz JWZDIMUJHMGFMW-LBPRGKRZSA-N 1 0 260.337 2.468 10 0 CEAERO CC[NH2+][C@@H](CC)c1cccc(S(=O)(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000052295452 520084804 /nfs/dbraw/zinc/08/48/04/520084804.db2.gz KCNYHGLHLCUFFB-TUKIKUTGSA-N 1 0 296.436 2.434 10 0 CEAERO CCN(C(=O)c1ccc(OC)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000061668683 520088686 /nfs/dbraw/zinc/08/86/86/520088686.db2.gz ZCFMGSJBPPVGTK-LBPRGKRZSA-N 1 0 280.343 2.048 10 0 CEAERO CCCCCC[NH2+]CCn1c(C)cc(C)nc1=O ZINC000053500117 520093586 /nfs/dbraw/zinc/09/35/86/520093586.db2.gz WHPLSZLIADNWIQ-UHFFFAOYSA-N 1 0 251.374 2.030 10 0 CEAERO CCN(C(=O)c1cccc(OC(C)C)c1)[C@H]1CC[NH2+]C1 ZINC000061666023 520101744 /nfs/dbraw/zinc/10/17/44/520101744.db2.gz DBUAKCBVNVZLLL-AWEZNQCLSA-N 1 0 276.380 2.298 10 0 CEAERO CC[NH2+][C@@H](COc1ccc2c(c1)CCC(=O)N2)C1CC1 ZINC000069080591 520102330 /nfs/dbraw/zinc/10/23/30/520102330.db2.gz LFJOBPJMDKFCFS-HNNXBMFYSA-N 1 0 274.364 2.338 10 0 CEAERO CC[NH2+][C@@H](c1cc(C)ccc1OCC)[C@H]1COCCO1 ZINC000055301432 520107366 /nfs/dbraw/zinc/10/73/66/520107366.db2.gz RLEFWSXZMKGCRC-CVEARBPZSA-N 1 0 279.380 2.460 10 0 CEAERO CC[NH2+][C@@H](c1ccc(Cl)s1)[C@@H]1COCCO1 ZINC000055300153 520110487 /nfs/dbraw/zinc/11/04/87/520110487.db2.gz KOMCAIXWMZSGRX-GZMMTYOYSA-N 1 0 261.774 2.468 10 0 CEAERO CC[NH2+][C@@H](c1ccc2c(c1)oc(=O)n2C)[C@H]1CCCOC1 ZINC000062234924 520111631 /nfs/dbraw/zinc/11/16/31/520111631.db2.gz FOYLFHMFPHWQLC-WFASDCNBSA-N 1 0 290.363 2.209 10 0 CEAERO CC[NH2+][C@@H](c1ccc2[nH]c(=O)[nH]c2c1)[C@H]1CCCCO1 ZINC000050962046 520111639 /nfs/dbraw/zinc/11/16/39/520111639.db2.gz XMPGRSYTIQOFJD-KGLIPLIRSA-N 1 0 275.352 2.076 10 0 CEAERO CC[NH2+][C@@H]1CCCC[C@@H]1S(=O)(=O)c1ccccc1 ZINC000061702650 520116179 /nfs/dbraw/zinc/11/61/79/520116179.db2.gz KTUAHBHUMDULOT-KGLIPLIRSA-N 1 0 267.394 2.381 10 0 CEAERO CC[NH2+][C@@H]1COc2cc(OCCn3ccnc3C)ccc21 ZINC000062804561 520123645 /nfs/dbraw/zinc/12/36/45/520123645.db2.gz ZFNUFXIBXHMYPW-OAHLLOKOSA-N 1 0 287.363 2.314 10 0 CEAERO CC[NH2+][C@@H]1CCc2c1cccc2O[C@H](C)C(=O)OC ZINC000062799490 520123788 /nfs/dbraw/zinc/12/37/88/520123788.db2.gz TXSAHPAUPKKKPK-ZWNOBZJWSA-N 1 0 263.337 2.224 10 0 CEAERO CC[NH2+][C@@H]1COc2cc(OCc3ccno3)ccc21 ZINC000062804653 520124864 /nfs/dbraw/zinc/12/48/64/520124864.db2.gz AHJIWWOOZGQROJ-CYBMUJFWSA-N 1 0 260.293 2.297 10 0 CEAERO CCCCCC[C@H](C)OCC[C@H]([NH2+]CC)C(N)=O ZINC000062542700 520132981 /nfs/dbraw/zinc/13/29/81/520132981.db2.gz IHUNNVRYKTWELU-STQMWFEESA-N 1 0 258.406 2.215 10 0 CEAERO CCCNc1cc(C(=O)N[C@H](C)C[NH+](CC)CC)ccn1 ZINC000050780594 520133149 /nfs/dbraw/zinc/13/31/49/520133149.db2.gz MIYHRROIAKAMNE-CYBMUJFWSA-N 1 0 292.427 2.364 10 0 CEAERO CCCNc1ccc(C(=O)NC[C@H]2CC[N@H+](C)C2)cc1 ZINC000050770164 520149652 /nfs/dbraw/zinc/14/96/52/520149652.db2.gz LWDYCGBOAGJMMU-CYBMUJFWSA-N 1 0 275.396 2.190 10 0 CEAERO CCN[C@@](C[N@H+](CC1CC1)C(C)C)(C(=O)OCC)C1CC1 ZINC000069183630 520152143 /nfs/dbraw/zinc/15/21/43/520152143.db2.gz IDEWYOOVCNVMNK-QGZVFWFLSA-N 1 0 296.455 2.428 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1ccc(OC)c(OCC)c1 ZINC000061271205 520169525 /nfs/dbraw/zinc/16/95/25/520169525.db2.gz RGJBOAASMSIBJR-LLVKDONJSA-N 1 0 280.368 2.421 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000061268850 520170879 /nfs/dbraw/zinc/17/08/79/520170879.db2.gz FLKQKLBXOUFEAF-LLVKDONJSA-N 1 0 278.352 2.175 10 0 CEAERO CC[NH2+][C@H](CC1CC1)c1ccc2c(c1)n(C)c(=O)n2C ZINC000051392568 520185304 /nfs/dbraw/zinc/18/53/04/520185304.db2.gz HLXMCXHBEPCTMY-CYBMUJFWSA-N 1 0 273.380 2.328 10 0 CEAERO CCCNc1nc(N2CCOCC2)[nH+]c(C)c1CC ZINC000050849783 520188327 /nfs/dbraw/zinc/18/83/27/520188327.db2.gz HEZOQFKOXHAKCP-UHFFFAOYSA-N 1 0 264.373 2.006 10 0 CEAERO CC[NH2+][C@H](Cn1ncccc1=O)c1cc(C)ccc1C ZINC000061402107 520205447 /nfs/dbraw/zinc/20/54/47/520205447.db2.gz OOIZXWQVUBRILM-OAHLLOKOSA-N 1 0 271.364 2.211 10 0 CEAERO CC[NH2+][C@H](Cn1c(=O)ccc2ccccc21)C1CC1 ZINC000070339804 520206450 /nfs/dbraw/zinc/20/64/50/520206450.db2.gz ZSEMXORGOBQIDN-CQSZACIVSA-N 1 0 256.349 2.390 10 0 CEAERO CC[NH2+][C@H]1CCc2c1cccc2OC[C@H](O)COCC ZINC000069276157 520219219 /nfs/dbraw/zinc/21/92/19/520219219.db2.gz FCKFQACSCRMQKS-DOMZBBRYSA-N 1 0 279.380 2.060 10 0 CEAERO CC[NH2+][C@H]1CC[C@@H](c2ccccc2)C[C@@H]1S(C)(=O)=O ZINC000054930397 520220313 /nfs/dbraw/zinc/22/03/13/520220313.db2.gz MOLZUTWHLKZIJX-ILXRZTDVSA-N 1 0 281.421 2.345 10 0 CEAERO CCN[C@](C)(CCC[NH+]1Cc2ccccc2C1)C(=O)OC ZINC000050912270 520227153 /nfs/dbraw/zinc/22/71/53/520227153.db2.gz JTGBWSQBPVAMBT-QGZVFWFLSA-N 1 0 290.407 2.324 10 0 CEAERO CC[NH2+][C@](CO)(CN(C)c1ccc(C)cc1C)C1CC1 ZINC000070338986 520248601 /nfs/dbraw/zinc/24/86/01/520248601.db2.gz OSANRRQUVINEKR-KRWDZBQOSA-N 1 0 276.424 2.490 10 0 CEAERO CCNc1c(F)cccc1C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000061656076 520254776 /nfs/dbraw/zinc/25/47/76/520254776.db2.gz HOYPIXJOIBCCBJ-LBPRGKRZSA-N 1 0 293.386 2.424 10 0 CEAERO CCNc1cc(C(=O)N2CC[NH+]([C@H](C)CC)CC2)ccn1 ZINC000055085291 520259594 /nfs/dbraw/zinc/25/95/94/520259594.db2.gz PGQBXTQZTZZZGT-CYBMUJFWSA-N 1 0 290.411 2.070 10 0 CEAERO CCO[C@@H](C[NH3+])CSc1ncnc2ccccc21 ZINC000062740638 520310908 /nfs/dbraw/zinc/31/09/08/520310908.db2.gz KFSYFIATAALYGH-JTQLQIEISA-N 1 0 263.366 2.086 10 0 CEAERO CCO[C@@H]1CCCN([C@@H](C[NH2+]C)c2ccccc2)C1 ZINC000052372337 520320604 /nfs/dbraw/zinc/32/06/04/520320604.db2.gz NNUYRFYIBJXRQN-CVEARBPZSA-N 1 0 262.397 2.448 10 0 CEAERO CCNc1cccc(C(=O)NCCCC[N@H+](C)C(C)C)n1 ZINC000051071722 520334146 /nfs/dbraw/zinc/33/41/46/520334146.db2.gz MJLOHGPEQKMYRD-UHFFFAOYSA-N 1 0 292.427 2.364 10 0 CEAERO CCNc1ccccc1C(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC000050777811 520338059 /nfs/dbraw/zinc/33/80/59/520338059.db2.gz LAQQNQJLIYEQRO-ZDUSSCGKSA-N 1 0 275.396 2.333 10 0 CEAERO CCCOc1ccc(C[C@H](C)[NH3+])c(O[C@H](CC)C(N)=O)c1 ZINC000061678314 520376929 /nfs/dbraw/zinc/37/69/29/520376929.db2.gz IOYWWEDPUYNQMM-SMDDNHRTSA-N 1 0 294.395 2.008 10 0 CEAERO CCNc1ncccc1CN1CCC[C@@H]1C[NH+](C)C ZINC000061653231 520378414 /nfs/dbraw/zinc/37/84/14/520378414.db2.gz NHLVBIVOOGHXEV-CQSZACIVSA-N 1 0 262.401 2.039 10 0 CEAERO CCN(CC(F)(F)F)C(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000061613004 520416490 /nfs/dbraw/zinc/41/64/90/520416490.db2.gz OXJPWBJLOZVZGI-NSHDSACASA-N 1 0 274.286 2.140 10 0 CEAERO CCCOc1ccc([C@@](O)(C[NH3+])C(F)(F)F)cc1 ZINC000062784633 520423926 /nfs/dbraw/zinc/42/39/26/520423926.db2.gz UQIUKLZBQITTRV-NSHDSACASA-N 1 0 263.259 2.184 10 0 CEAERO CCCCN(CC(F)(F)F)C(=O)[C@H](C)C1C[NH2+]C1 ZINC000164224995 520444409 /nfs/dbraw/zinc/44/44/09/520444409.db2.gz CAFQPQHAVKRNBZ-SECBINFHSA-N 1 0 266.307 2.033 10 0 CEAERO CCCOc1ccccc1OCC[C@@H]([NH2+]C(C)C)C(N)=O ZINC000062544630 520483333 /nfs/dbraw/zinc/48/33/33/520483333.db2.gz AWDQJRWTJWFMSH-CYBMUJFWSA-N 1 0 294.395 2.096 10 0 CEAERO CC1(C)CN(c2cc(Cl)ccc2C[NH3+])CCO1 ZINC000062786853 520495102 /nfs/dbraw/zinc/49/51/02/520495102.db2.gz LEBYXPFDYMOSHK-UHFFFAOYSA-N 1 0 254.761 2.414 10 0 CEAERO CC1(C)CN(c2ccc(C(N)=[NH2+])c(Cl)c2)CCO1 ZINC000061856564 520495188 /nfs/dbraw/zinc/49/51/88/520495188.db2.gz QGYQJUHGHZOWKJ-UHFFFAOYSA-N 1 0 267.760 2.239 10 0 CEAERO CCCC[NH+](CCCC)C[C@@](NC)(C(=O)OC)C1CC1 ZINC000069096563 520497334 /nfs/dbraw/zinc/49/73/34/520497334.db2.gz ZPHIXYLWDKXLLI-INIZCTEOSA-N 1 0 284.444 2.430 10 0 CEAERO CCO[C@H](C[NH3+])CN(C)Cc1ccc(Cl)cc1 ZINC000062739655 520518336 /nfs/dbraw/zinc/51/83/36/520518336.db2.gz UIPWGIXWYGFUNZ-CYBMUJFWSA-N 1 0 256.777 2.136 10 0 CEAERO CCO[C@H](C[NH3+])COc1cccc2ccc(C)nc21 ZINC000062740387 520519433 /nfs/dbraw/zinc/51/94/33/520519433.db2.gz NRBRXYZCEGWMSZ-CYBMUJFWSA-N 1 0 260.337 2.286 10 0 CEAERO CCO[C@H](C[NH3+])COc1ccccc1Br ZINC000062740405 520519752 /nfs/dbraw/zinc/51/97/52/520519752.db2.gz MRGUFMCNTMGNDA-SECBINFHSA-N 1 0 274.158 2.192 10 0 CEAERO CCN(CC)C(=O)[C@H](C)Oc1cc(F)ccc1[C@H](C)[NH3+] ZINC000062745771 520536877 /nfs/dbraw/zinc/53/68/77/520536877.db2.gz HLFSLSCXRQYVEJ-QWRGUYRKSA-N 1 0 282.359 2.481 10 0 CEAERO CCC[C@@H](C)[N@H+](C)C[C@](NC)(C(=O)OCC)C1CC1 ZINC000069100231 520646286 /nfs/dbraw/zinc/64/62/86/520646286.db2.gz SYOLWKMTCSCBFY-IUODEOHRSA-N 1 0 270.417 2.038 10 0 CEAERO CCCCNC(=O)[C@H](C)[NH2+][C@@H]1CCOc2ccccc21 ZINC000052928788 520669145 /nfs/dbraw/zinc/66/91/45/520669145.db2.gz APDQALPVLXWGDI-GXTWGEPZSA-N 1 0 276.380 2.405 10 0 CEAERO CCC[C@@H](CC)NS(=O)(=O)c1cccc2c1CC[NH2+]C2 ZINC000050406159 520688774 /nfs/dbraw/zinc/68/87/74/520688774.db2.gz NDHGEOGQINRHBJ-CYBMUJFWSA-N 1 0 296.436 2.189 10 0 CEAERO CCOC(=O)CC[C@H]([NH3+])Cc1ccc(C)c(F)c1 ZINC000069605444 520714195 /nfs/dbraw/zinc/71/41/95/520714195.db2.gz RMEVFKLMFUYKOZ-LBPRGKRZSA-N 1 0 253.317 2.347 10 0 CEAERO CC[NH+](CC)C[C@@H](C)NC(=O)c1cccc(C)c1N ZINC000045661698 520719638 /nfs/dbraw/zinc/71/96/38/520719638.db2.gz MAVGHGUQWOQERO-GFCCVEGCSA-N 1 0 263.385 2.037 10 0 CEAERO CCCCOCCOc1ccc(CC(N)=[NH2+])cc1 ZINC000049262462 520792591 /nfs/dbraw/zinc/79/25/91/520792591.db2.gz HCVWVQBGZVTBHC-UHFFFAOYSA-N 1 0 250.342 2.361 10 0 CEAERO CC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCC[NH3+] ZINC000069506509 520890734 /nfs/dbraw/zinc/89/07/34/520890734.db2.gz TXWDWOKGGPXJRS-AWEZNQCLSA-N 1 0 259.353 2.068 10 0 CEAERO CCOC(=O)C[C@]1([NH+]2CCOCC2)CCC[C@H](C)[C@@H]1C ZINC000068633925 520902692 /nfs/dbraw/zinc/90/26/92/520902692.db2.gz JYBHYDMZCQJDOH-OFQRWUPVSA-N 1 0 283.412 2.467 10 0 CEAERO CCOc1ccc(C(=O)N[C@H]2CCC[C@H]2[NH3+])cc1OCC ZINC000063174118 520914914 /nfs/dbraw/zinc/91/49/14/520914914.db2.gz KJFQHLLUWBGHNB-OLZOCXBDSA-N 1 0 292.379 2.094 10 0 CEAERO CC1CCC(CNC(=O)C2(C)CC[NH2+]CC2)CC1 ZINC000063146227 520918052 /nfs/dbraw/zinc/91/80/52/520918052.db2.gz VISVCPGHXBZVFR-UHFFFAOYSA-N 1 0 252.402 2.319 10 0 CEAERO CC1CCC(NC(=O)[C@H]2CC[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000055124529 520951657 /nfs/dbraw/zinc/95/16/57/520951657.db2.gz QMZMULNFRWGZMW-XGVQBZMBSA-N 1 0 252.402 2.445 10 0 CEAERO CC1CCC(OC[C@@H](O)C[NH2+]C2(CO)CCCCC2)CC1 ZINC000053097014 520962886 /nfs/dbraw/zinc/96/28/86/520962886.db2.gz GINDLLKUYHZLKH-PCKAHOCUSA-N 1 0 299.455 2.227 10 0 CEAERO CCCC[C@@H](C[NH3+])Nc1nc(OC)ncc1Cl ZINC000157856589 521048710 /nfs/dbraw/zinc/04/87/10/521048710.db2.gz HDQWUAWNJAIJNO-QMMMGPOBSA-N 1 0 258.753 2.068 10 0 CEAERO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](CC(C)C)CN(C)C ZINC000049555879 521054093 /nfs/dbraw/zinc/05/40/93/521054093.db2.gz CRLVCNXQMWRECB-KKUMJFAQSA-N 1 0 285.476 2.246 10 0 CEAERO CCN(CC[NH2+][C@@H](C)COC)c1cccc(F)c1 ZINC000053431969 521077994 /nfs/dbraw/zinc/07/79/94/521077994.db2.gz AMKJLPHPNQXUQJ-LBPRGKRZSA-N 1 0 254.349 2.277 10 0 CEAERO CCOC(=O)[C@@](C[N@H+](C)CC1CCCCC1)(NC)C1CC1 ZINC000069183938 521165095 /nfs/dbraw/zinc/16/50/95/521165095.db2.gz FZODANBWPHJFKJ-KRWDZBQOSA-N 1 0 296.455 2.430 10 0 CEAERO CCOC(=O)[C@H](C)Oc1ccc(C)cc1[C@@H](C)[NH3+] ZINC000049954874 521217118 /nfs/dbraw/zinc/21/71/18/521217118.db2.gz GFQCRUMCVLTOSL-MNOVXSKESA-N 1 0 251.326 2.345 10 0 CEAERO CC[N@H+](C[C@@H](O)c1ccc(OC)cc1OC)CC1CC1 ZINC000069239150 521219909 /nfs/dbraw/zinc/21/99/09/521219909.db2.gz MIHCBYLHKQDATM-OAHLLOKOSA-N 1 0 279.380 2.469 10 0 CEAERO CCC[C@H]1CN(CCn2cccn2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000068702523 521220654 /nfs/dbraw/zinc/22/06/54/521220654.db2.gz OJFUTJNNXSMMMK-JKSUJKDBSA-N 1 0 276.428 2.126 10 0 CEAERO CCOc1ccc([C@@H](C)[NH2+]C)cc1CN1CCN(C)C1=O ZINC000052885608 521222128 /nfs/dbraw/zinc/22/21/28/521222128.db2.gz WMWFXDUMSDJACZ-GFCCVEGCSA-N 1 0 291.395 2.233 10 0 CEAERO CCOc1ccc([C@H](CO[C@@H](C)COC)[NH2+]C)cc1 ZINC000070207670 521264260 /nfs/dbraw/zinc/26/42/60/521264260.db2.gz VOBMBYGROREIHT-WFASDCNBSA-N 1 0 267.369 2.397 10 0 CEAERO CCN(C[C@H]1CC12CC[NH2+]CC2)CC(F)(F)F ZINC000070257453 521264469 /nfs/dbraw/zinc/26/44/69/521264469.db2.gz ONSVETZBCKQYQK-SNVBAGLBSA-N 1 0 250.308 2.260 10 0 CEAERO CCOC(=O)[C@](C[N@@H+]1CCCC(C)(C)C1)(NC)C1CC1 ZINC000069517107 521339638 /nfs/dbraw/zinc/33/96/38/521339638.db2.gz SGOSOYMVKVKWJY-MRXNPFEDSA-N 1 0 282.428 2.040 10 0 CEAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+]C[C@@H](C)CSC ZINC000069447868 521341224 /nfs/dbraw/zinc/34/12/24/521341224.db2.gz ZFSNMBHSBYEZDS-MNOVXSKESA-N 1 0 260.447 2.268 10 0 CEAERO CCOc1cccc(C[NH2+]C(C)(C)C)c1OCCO ZINC000062732676 521360179 /nfs/dbraw/zinc/36/01/79/521360179.db2.gz IWJMWLKJNKHTIB-UHFFFAOYSA-N 1 0 267.369 2.345 10 0 CEAERO CCCc1ccc([C@H](Cn2nc(C)ccc2=O)[NH2+]C)cc1 ZINC000061810251 521418991 /nfs/dbraw/zinc/41/89/91/521418991.db2.gz YCYKZRLNEPVENC-INIZCTEOSA-N 1 0 285.391 2.465 10 0 CEAERO CCN(c1ccccc1F)[C@@](C)(C[NH3+])CCOC ZINC000050011561 521502639 /nfs/dbraw/zinc/50/26/39/521502639.db2.gz VLVQHNLWHNRHJF-CQSZACIVSA-N 1 0 254.349 2.406 10 0 CEAERO CCCc1nc(N2C[C@H](C)OC[C@@H]2C)sc1C[NH2+]C ZINC000054997294 521534043 /nfs/dbraw/zinc/53/40/43/521534043.db2.gz MKWUOHWKAJFJQT-QWRGUYRKSA-N 1 0 283.441 2.429 10 0 CEAERO CCC(CC)N(CCO)c1cc(C)ccc1C(N)=[NH2+] ZINC000051579565 521553235 /nfs/dbraw/zinc/55/32/35/521553235.db2.gz UPUUGLPJFXFQGD-UHFFFAOYSA-N 1 0 263.385 2.266 10 0 CEAERO CCC(CC)N(CCOC)C(=O)[C@H]1CCC[C@@H](C)[C@@H]1[NH3+] ZINC000055133748 521557535 /nfs/dbraw/zinc/55/75/35/521557535.db2.gz SRZUHJQPXHPQPD-SNPRPXQTSA-N 1 0 284.444 2.414 10 0 CEAERO CCCC1N=NC(=S)N1[C@@H](C)C[NH+]1CCCC1 ZINC000049184515 521570417 /nfs/dbraw/zinc/57/04/17/521570417.db2.gz KJPPWWWGGMMZIV-JTQLQIEISA-N 1 0 254.403 2.176 10 0 CEAERO CCC(CC)[NH2+]C[C@H](C)N1CCN(c2nccs2)CC1 ZINC000053488381 521596394 /nfs/dbraw/zinc/59/63/94/521596394.db2.gz GXYMFDKKJWWQEE-ZDUSSCGKSA-N 1 0 296.484 2.432 10 0 CEAERO CCC(CC)c1cc(C(=O)N2CCC[C@H]([NH3+])C2)on1 ZINC000157789415 521629603 /nfs/dbraw/zinc/62/96/03/521629603.db2.gz MPVWFQRMSUZIGU-NSHDSACASA-N 1 0 265.357 2.142 10 0 CEAERO CCCn1c(S[C@@H](C[NH3+])c2sccc2C)n[nH]c1=O ZINC000061594961 521635183 /nfs/dbraw/zinc/63/51/83/521635183.db2.gz MKXLUUOFQBUACC-VIFPVBQESA-N 1 0 298.437 2.143 10 0 CEAERO CCCn1c(Sc2cccc(F)c2[C@@H](C)[NH3+])n[nH]c1=O ZINC000061595908 521636029 /nfs/dbraw/zinc/63/60/29/521636029.db2.gz FNKYJAHYLGYATO-MRVPVSSYSA-N 1 0 296.371 2.291 10 0 CEAERO CCCn1c(Sc2ccccc2[C@H](C)[NH3+])n[nH]c1=O ZINC000061595901 521636404 /nfs/dbraw/zinc/63/64/04/521636404.db2.gz CQYSEIJOIGQPHY-VIFPVBQESA-N 1 0 278.381 2.152 10 0 CEAERO CCC(CC)n1ccc(CN2CC[NH2+][C@@H](C3CC3)C2)n1 ZINC000068692674 521640360 /nfs/dbraw/zinc/64/03/60/521640360.db2.gz AOGAMIIHQSAJDJ-MRXNPFEDSA-N 1 0 276.428 2.428 10 0 CEAERO CCS(=O)(=O)CC[C@@H](C[NH2+]C)Cc1ccccc1C ZINC000052978689 521645164 /nfs/dbraw/zinc/64/51/64/521645164.db2.gz FUBSFKHDHPIKSR-CQSZACIVSA-N 1 0 283.437 2.198 10 0 CEAERO CCS(=O)(=O)CC[C@H](C[NH2+]C)Cc1ccc(C)cc1 ZINC000052974404 521645858 /nfs/dbraw/zinc/64/58/58/521645858.db2.gz CAOOMVJTBJHOPP-HNNXBMFYSA-N 1 0 283.437 2.198 10 0 CEAERO CCCn1cc(Cl)cc1C(=O)N1[C@@H](C)C[NH2+]C[C@@H]1C ZINC000069132897 521654155 /nfs/dbraw/zinc/65/41/55/521654155.db2.gz NNAYXNRYTSWGEE-QWRGUYRKSA-N 1 0 283.803 2.374 10 0 CEAERO CCCN(CC[NH+](C)C)Cc1cc(F)ccc1C(N)=S ZINC000069403110 521656477 /nfs/dbraw/zinc/65/64/77/521656477.db2.gz XZNRFJYFJGPHJZ-UHFFFAOYSA-N 1 0 297.443 2.234 10 0 CEAERO CCCn1cccc1C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000070175982 521658583 /nfs/dbraw/zinc/65/85/83/521658583.db2.gz BJUBCLIXQGQZHL-JSGCOSHPSA-N 1 0 263.385 2.098 10 0 CEAERO CCC1(C(=O)N(C)Cc2ccoc2)CC[NH2+]CC1 ZINC000062849870 521658922 /nfs/dbraw/zinc/65/89/22/521658922.db2.gz JXQMBOSWQYNLRX-UHFFFAOYSA-N 1 0 250.342 2.018 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CNc1nc(Cl)nc(Cl)n1 ZINC000061518180 521659322 /nfs/dbraw/zinc/65/93/22/521659322.db2.gz WWWMZOLNQWPXMG-ZETCQYMHSA-N 1 0 276.171 2.075 10 0 CEAERO CCC1(CC)CC[NH+]([C@@H](CN)[C@@H]2CCOC2)CC1 ZINC000062952547 521687920 /nfs/dbraw/zinc/68/79/20/521687920.db2.gz QPKVHWIKCNKFGG-KGLIPLIRSA-N 1 0 254.418 2.252 10 0 CEAERO COC(=O)c1c(NC(=O)CC[C@H](C)[NH3+])sc2c1CCC2 ZINC000070317764 521765456 /nfs/dbraw/zinc/76/54/56/521765456.db2.gz ZCQOLTWWVPNNLJ-QMMMGPOBSA-N 1 0 296.392 2.089 10 0 CEAERO COC(=O)c1cc(C[NH2+]C[C@@H](C)CSC)oc1C ZINC000069440066 521857431 /nfs/dbraw/zinc/85/74/31/521857431.db2.gz WACAYHKRDGYFBL-SECBINFHSA-N 1 0 271.382 2.463 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1c1c(N)ccc(F)c1F ZINC000061643008 521874320 /nfs/dbraw/zinc/87/43/20/521874320.db2.gz ORJRQHWYXZLMRF-SECBINFHSA-N 1 0 255.312 2.077 10 0 CEAERO CCc1ccccc1[C@@H](C[NH3+])N(CCOC)C1CC1 ZINC000052203772 521929847 /nfs/dbraw/zinc/92/98/47/521929847.db2.gz NWBZCDIEOHZWBV-MRXNPFEDSA-N 1 0 262.397 2.360 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N1CCCCC[C@@H]1c1cccn1C ZINC000061316971 521933535 /nfs/dbraw/zinc/93/35/35/521933535.db2.gz XMJSIZZTOYZTCL-CQSZACIVSA-N 1 0 277.412 2.467 10 0 CEAERO CC[C@H](C)[C@H]([NH3+])C(=O)N(CC)C[C@H](O)c1ccc(C)cc1 ZINC000155524118 521944778 /nfs/dbraw/zinc/94/47/78/521944778.db2.gz PQYGZNRDQPHNKN-BPUTZDHNSA-N 1 0 292.423 2.250 10 0 CEAERO C[NH2+]C(C)(C)C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000061318886 521945054 /nfs/dbraw/zinc/94/50/54/521945054.db2.gz GNKNCRNNQVXNPP-UHFFFAOYSA-N 1 0 255.387 2.377 10 0 CEAERO COCC[C@H]([NH3+])C(=O)Nc1cc(Cl)ccc1Cl ZINC000052790701 521945280 /nfs/dbraw/zinc/94/52/80/521945280.db2.gz GTOFXMKOFYZLKU-VIFPVBQESA-N 1 0 277.151 2.296 10 0 CEAERO CCc1ccccc1[C@H](C[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000052203313 521953216 /nfs/dbraw/zinc/95/32/16/521953216.db2.gz RSIZWNSVQUHPFN-ZENOOKHLSA-N 1 0 262.397 2.358 10 0 CEAERO C[NH2+]CC1(CN2C[C@@H](C)O[C@H](C)C2)CCCCC1 ZINC000051209801 521971071 /nfs/dbraw/zinc/97/10/71/521971071.db2.gz OEBYOZCVXUQPGP-ZIAGYGMSSA-N 1 0 254.418 2.266 10 0 CEAERO COCCc1ccc(OCC[NH2+]CC(C)C)cc1 ZINC000052699345 522012945 /nfs/dbraw/zinc/01/29/45/522012945.db2.gz OSWBVXPZYSUYRF-UHFFFAOYSA-N 1 0 251.370 2.500 10 0 CEAERO C[NH2+]CCc1c(C)nc(Cc2csc(C)n2)nc1C ZINC000055296949 522020926 /nfs/dbraw/zinc/02/09/26/522020926.db2.gz SXEQRBJEAVXXGH-UHFFFAOYSA-N 1 0 276.409 2.211 10 0 CEAERO C[NH2+]C[C@@H]1CCCCN1Cc1nc2ccccc2[nH]1 ZINC000063168758 522040783 /nfs/dbraw/zinc/04/07/83/522040783.db2.gz IRZHTALFZYVESI-LBPRGKRZSA-N 1 0 258.369 2.137 10 0 CEAERO C[NH2+]C[C@H](CCCOC)Cc1ccc(OC)cc1 ZINC000052975775 522074332 /nfs/dbraw/zinc/07/43/32/522074332.db2.gz KHOMAJBZILLQOD-CQSZACIVSA-N 1 0 251.370 2.500 10 0 CEAERO C[NH2+]C[C@H](OC[C@@H]1CCCO1)c1cccc(F)c1 ZINC000050494228 522076524 /nfs/dbraw/zinc/07/65/24/522076524.db2.gz LXULQRJYVQBFJI-KBPBESRZSA-N 1 0 253.317 2.282 10 0 CEAERO C[NH2+]C[C@H]1CC[C@H](COc2ccccc2Cl)O1 ZINC000052664745 522096077 /nfs/dbraw/zinc/09/60/77/522096077.db2.gz HTRWXFGWWNJRJX-GHMZBOCLSA-N 1 0 255.745 2.486 10 0 CEAERO C[NH2+]Cc1cc(Cl)cc(Cl)c1OC[C@@H](O)COC ZINC000069053653 522111936 /nfs/dbraw/zinc/11/19/36/522111936.db2.gz HYIYHRPCMYEGNI-JTQLQIEISA-N 1 0 294.178 2.099 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(C[C@H](O)c2ccccc2OC)CC1 ZINC000055069817 522125142 /nfs/dbraw/zinc/12/51/42/522125142.db2.gz AUDUGHYKCKRZME-ZBFHGGJFSA-N 1 0 292.423 2.145 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(c2ccc(F)cc2N)CC1 ZINC000055066318 522133851 /nfs/dbraw/zinc/13/38/51/522133851.db2.gz OMRUTLSUTVZPRN-LLVKDONJSA-N 1 0 251.349 2.328 10 0 CEAERO C[NH2+]Cc1ccoc1CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000052573085 522141520 /nfs/dbraw/zinc/14/15/20/522141520.db2.gz HJDXZLCUNVHDJU-UONOGXRCSA-N 1 0 264.369 2.142 10 0 CEAERO C[NH2+]Cc1cnc(-n2cc(Cl)cn2)c(Cl)c1 ZINC000051492749 522146952 /nfs/dbraw/zinc/14/69/52/522146952.db2.gz NPULKDCIKUUPMN-UHFFFAOYSA-N 1 0 257.124 2.294 10 0 CEAERO C[NH2+]Cc1nc(Cn2ncc3ccccc32)cs1 ZINC000052574285 522152359 /nfs/dbraw/zinc/15/23/59/522152359.db2.gz KSXPKOGBHADUOC-UHFFFAOYSA-N 1 0 258.350 2.261 10 0 CEAERO C[NH2+]Cc1oc(CN2C[C@H](C)OC(C)(C)C2)cc1C ZINC000052543657 522160336 /nfs/dbraw/zinc/16/03/36/522160336.db2.gz CQLQHLDFMQTLKP-LBPRGKRZSA-N 1 0 266.385 2.307 10 0 CEAERO CC[C@H](C[NH2+]C1CC1)[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000052973869 522195537 /nfs/dbraw/zinc/19/55/37/522195537.db2.gz QXELNUHONYOZKX-RISCZKNCSA-N 1 0 279.405 2.336 10 0 CEAERO COc1cc(C)c([C@@H]([NH3+])[C@H]2CCOC2)cc1OC ZINC000048626215 522224951 /nfs/dbraw/zinc/22/49/51/522224951.db2.gz NREYPEWBJOTBAI-HZMBPMFUSA-N 1 0 251.326 2.049 10 0 CEAERO CC[C@H]([NH3+])Cc1c(C)nn(CCOC(C)C)c1C ZINC000054741289 522331349 /nfs/dbraw/zinc/33/13/49/522331349.db2.gz HYLMSCPIQYNLDC-ZDUSSCGKSA-N 1 0 253.390 2.205 10 0 CEAERO C[NH2+][C@@H](C)c1cccc(NC(=O)NC[C@@H]2CCOC2)c1 ZINC000061148546 522334266 /nfs/dbraw/zinc/33/42/66/522334266.db2.gz FSBBSWOGIBOPDG-RYUDHWBXSA-N 1 0 277.368 2.125 10 0 CEAERO CC[C@H]([NH3+])Cc1ccnc(Cc2nc(C)cs2)n1 ZINC000055270013 522335337 /nfs/dbraw/zinc/33/53/37/522335337.db2.gz HVTMBCHBIJFDCH-JTQLQIEISA-N 1 0 262.382 2.112 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Oc1cccc(COC)c1)c1cnn(C)c1 ZINC000070094871 522336523 /nfs/dbraw/zinc/33/65/23/522336523.db2.gz LXZANAMVCIWPLQ-HOTGVXAUSA-N 1 0 289.379 2.424 10 0 CEAERO CC[C@H]([NH3+])Cc1nccn1Cc1cccc(OC)c1 ZINC000062803045 522337425 /nfs/dbraw/zinc/33/74/25/522337425.db2.gz RXNOQQZMERFXFO-ZDUSSCGKSA-N 1 0 259.353 2.220 10 0 CEAERO C[NH2+][C@@H](C)c1sc(N(C)C2CCOCC2)nc1C ZINC000054904558 522338923 /nfs/dbraw/zinc/33/89/23/522338923.db2.gz COYKAEFOUHNBLV-VIFPVBQESA-N 1 0 269.414 2.347 10 0 CEAERO CC[C@H]([NH3+])[C@](O)(c1cc(C)ccc1OC)C(F)(F)F ZINC000062784631 522346776 /nfs/dbraw/zinc/34/67/76/522346776.db2.gz OXQWFLPZWXPQFA-NWDGAFQWSA-N 1 0 277.286 2.491 10 0 CEAERO C[NH2+][C@@H](c1ccc(OC(C)C)cc1)[C@@H]1COCCO1 ZINC000055299621 522367982 /nfs/dbraw/zinc/36/79/82/522367982.db2.gz HWHKEQHHFPNUEI-GJZGRUSLSA-N 1 0 265.353 2.150 10 0 CEAERO C[NH2+][C@@H](c1cc(OC)c(OC)cc1F)[C@H]1CCOC1 ZINC000061561007 522368190 /nfs/dbraw/zinc/36/81/90/522368190.db2.gz XSVMVZHGLMOHEG-LKFCYVNXSA-N 1 0 269.316 2.140 10 0 CEAERO COc1cc(CN2CCC[C@@H]2C[NH3+])ccc1OC(F)F ZINC000156177017 522376975 /nfs/dbraw/zinc/37/69/75/522376975.db2.gz DIOHDRKBGIKJHZ-LLVKDONJSA-N 1 0 286.322 2.220 10 0 CEAERO C[NH2+][C@@H]1CCCN(c2cc(C)c(Br)cn2)C1 ZINC000163954769 522387239 /nfs/dbraw/zinc/38/72/39/522387239.db2.gz JTDYAQHDABTASG-SNVBAGLBSA-N 1 0 284.201 2.341 10 0 CEAERO CCc1nc(N2CCOCC2(C)C)sc1C[NH2+]C ZINC000055001892 522388030 /nfs/dbraw/zinc/38/80/30/522388030.db2.gz SARVUJFAELWTBY-UHFFFAOYSA-N 1 0 269.414 2.040 10 0 CEAERO CCc1nc(N2C[C@H](C)OC(C)(C)C2)sc1C[NH3+] ZINC000055000440 522390251 /nfs/dbraw/zinc/39/02/51/522390251.db2.gz VIWOMIQOFANHSF-VIFPVBQESA-N 1 0 269.414 2.168 10 0 CEAERO C[NH2+][C@@H]1COc2cc(OCC3CCOCC3)ccc21 ZINC000062804031 522398685 /nfs/dbraw/zinc/39/86/85/522398685.db2.gz ADFBPFBKUDABLW-CQSZACIVSA-N 1 0 263.337 2.145 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2CC[C@@H]1Cc1cnn(C)c1 ZINC000050540808 522400123 /nfs/dbraw/zinc/40/01/23/522400123.db2.gz GZOBSTQLHGWVCZ-ZBFHGGJFSA-N 1 0 255.365 2.486 10 0 CEAERO C[NH2+][C@@](C)(CO)CCCCN1CCN(C)c2ccccc21 ZINC000070335556 522413187 /nfs/dbraw/zinc/41/31/87/522413187.db2.gz IPRWWHUDRKYMOB-QGZVFWFLSA-N 1 0 291.439 2.084 10 0 CEAERO C[NH2+][C@@](C)(C[C@@H](C)n1ccnc1-c1cccs1)C(N)=O ZINC000068649663 522418225 /nfs/dbraw/zinc/41/82/25/522418225.db2.gz MKDJWJNEMHYXIN-YGRLFVJLSA-N 1 0 292.408 2.026 10 0 CEAERO C[NH2+][C@@](CO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)(C(N)=O)C1CC1 ZINC000069195935 522428881 /nfs/dbraw/zinc/42/88/81/522428881.db2.gz NYZCJSZHPHPULR-DPAVQSFQSA-N 1 0 296.455 2.317 10 0 CEAERO C[NH2+][C@H](C)CCc1ccc(OCCC(=O)OC)cc1 ZINC000069317090 522439567 /nfs/dbraw/zinc/43/95/67/522439567.db2.gz ACLRRUSPGLTZSV-GFCCVEGCSA-N 1 0 265.353 2.169 10 0 CEAERO COc1cc(C[NH2+]C(C)(C)C)ccc1OC[C@H](C)O ZINC000062731786 522440175 /nfs/dbraw/zinc/44/01/75/522440175.db2.gz XVFWXACOLMTCJM-NSHDSACASA-N 1 0 267.369 2.343 10 0 CEAERO C[NH2+][C@H](C)C[C@@H](C)N1CCN(c2cccc(OC)c2)CC1 ZINC000068654197 522440819 /nfs/dbraw/zinc/44/08/19/522440819.db2.gz ZLYYXXHVOSKNEC-HUUCEWRRSA-N 1 0 291.439 2.204 10 0 CEAERO C[NH2+][C@H](CCCS(C)(=O)=O)C1CCC(C)CC1 ZINC000063017220 522460101 /nfs/dbraw/zinc/46/01/01/522460101.db2.gz RQGGOWSSZSIERZ-WXRRBKDZSA-N 1 0 261.431 2.226 10 0 CEAERO CC[C@@H](CC1CC1)NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000070104090 522489976 /nfs/dbraw/zinc/48/99/76/522489976.db2.gz NLUKKKATHUCAOU-CMPLNLGQSA-N 1 0 278.318 2.223 10 0 CEAERO C[NH2+][C@H]1CCc2c1cccc2OCc1ncccn1 ZINC000062799127 522505580 /nfs/dbraw/zinc/50/55/80/522505580.db2.gz DAFKTTXBVIDBQL-ZDUSSCGKSA-N 1 0 255.321 2.262 10 0 CEAERO C[NH2+][C@](C)(CCCSc1ccc(F)cc1F)C(N)=O ZINC000045551952 522515474 /nfs/dbraw/zinc/51/54/74/522515474.db2.gz XBCCWPGWVXDTDH-CYBMUJFWSA-N 1 0 288.363 2.301 10 0 CEAERO CNc1ccc(C(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000050788130 522590897 /nfs/dbraw/zinc/59/08/97/522590897.db2.gz BDMSUCHZPOQQHD-CYBMUJFWSA-N 1 0 275.396 2.333 10 0 CEAERO COC[C@H](C)N(C)c1nc(C(C)(C)C)c(C[NH3+])s1 ZINC000054998791 522598909 /nfs/dbraw/zinc/59/89/09/522598909.db2.gz YOMGDWAXPIIRED-VIFPVBQESA-N 1 0 271.430 2.370 10 0 CEAERO CNc1ccc(C)cc1C(=O)NC[C@H]1CCCC[N@@H+]1C ZINC000053003519 522603400 /nfs/dbraw/zinc/60/34/00/522603400.db2.gz GXNRYIRIYNZWDN-CYBMUJFWSA-N 1 0 275.396 2.251 10 0 CEAERO COc1cc(F)ccc1NC(=O)[C@H]1CC[C@H](C)[NH2+]C1 ZINC000049570462 522611384 /nfs/dbraw/zinc/61/13/84/522611384.db2.gz TXJDPSYPQZTPOS-UWVGGRQHSA-N 1 0 266.316 2.161 10 0 CEAERO CC[C@@H]([NH3+])Cc1cnc(Cc2cccc(F)c2)nc1 ZINC000054858297 522644526 /nfs/dbraw/zinc/64/45/26/522644526.db2.gz MSOXZRDLZQCTIP-CQSZACIVSA-N 1 0 259.328 2.486 10 0 CEAERO CC[C@@H]([NH3+])[C@@](O)(c1ccc(F)c(F)c1)C(F)(F)F ZINC000062784730 522650808 /nfs/dbraw/zinc/65/08/08/522650808.db2.gz PTHOBYHQIACRIP-ZJUUUORDSA-N 1 0 269.213 2.452 10 0 CEAERO CN(CC1CCCCC1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054291361 522652842 /nfs/dbraw/zinc/65/28/42/522652842.db2.gz ZJRNSZRCAYJFCI-CQSZACIVSA-N 1 0 252.402 2.415 10 0 CEAERO CC[C@@H]([NH3+])[C@](O)(c1ccc(F)cc1)C(F)(F)F ZINC000062784360 522655260 /nfs/dbraw/zinc/65/52/60/522655260.db2.gz LXSIWMBBMMBYGS-NXEZZACHSA-N 1 0 251.223 2.313 10 0 CEAERO CC[C@@H]([NH3+])c1cccc(S(=O)(=O)NC[C@@H](C)CC)c1 ZINC000054489168 522655300 /nfs/dbraw/zinc/65/53/00/522655300.db2.gz ZBZGZIBJVLHVBZ-SMDDNHRTSA-N 1 0 284.425 2.421 10 0 CEAERO CNc1ccnc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000050721268 522667668 /nfs/dbraw/zinc/66/76/68/522667668.db2.gz DJCHJGFNCNAJQH-ZDUSSCGKSA-N 1 0 290.411 2.118 10 0 CEAERO COC1CC[NH+]([C@@H]2C[C@@H](C(C)C)CC[C@H]2N)CC1 ZINC000054554968 522707681 /nfs/dbraw/zinc/70/76/81/522707681.db2.gz BCKFEVQGFOLKTD-NWANDNLSSA-N 1 0 254.418 2.249 10 0 CEAERO COC1CCN(c2ccc(C(N)=[NH2+])cc2Cl)CC1 ZINC000062794011 522710687 /nfs/dbraw/zinc/71/06/87/522710687.db2.gz JJZYRULPIKJLRG-UHFFFAOYSA-N 1 0 267.760 2.239 10 0 CEAERO CC[C@@H]([NH2+]C)c1cccc(S(=O)(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000052295443 522806440 /nfs/dbraw/zinc/80/64/40/522806440.db2.gz OQOXDIONPRKPSS-ZLKJLUDKSA-N 1 0 282.409 2.044 10 0 CEAERO CC[C@@H]([NH2+]CC(=O)N[C@@H](C)COC)C1CCCCC1 ZINC000052338483 522815821 /nfs/dbraw/zinc/81/58/21/522815821.db2.gz GGMBKGBKVPGUJJ-GXTWGEPZSA-N 1 0 270.417 2.086 10 0 CEAERO CC[C@H](Oc1c(Cl)cc(Cl)cc1C[NH2+]C)C(N)=O ZINC000061675942 522866682 /nfs/dbraw/zinc/86/66/82/522866682.db2.gz UBJGZHJWFOGYRT-JTQLQIEISA-N 1 0 291.178 2.356 10 0 CEAERO C[N@H+](CCNc1cc(Cl)ccc1C(N)=S)C1CC1 ZINC000062788584 522870604 /nfs/dbraw/zinc/87/06/04/522870604.db2.gz RMDRYVNQVMLILN-UHFFFAOYSA-N 1 0 283.828 2.480 10 0 CEAERO COc1cc(OC)cc(OC[C@H]2CCC[NH2+]C2)c1 ZINC000068834403 522871452 /nfs/dbraw/zinc/87/14/52/522871452.db2.gz HHPPFVSSUQFPHX-NSHDSACASA-N 1 0 251.326 2.082 10 0 CEAERO COc1cc(OC)cc(OC[C@H]2CCCC[NH2+]2)c1 ZINC000068835543 522871671 /nfs/dbraw/zinc/87/16/71/522871671.db2.gz NQVGACFMQQCROA-LLVKDONJSA-N 1 0 251.326 2.225 10 0 CEAERO CC[C@@H](NS(=O)(=O)CC[NH2+]C(C)C)C1CCCCC1 ZINC000052344046 522900388 /nfs/dbraw/zinc/90/03/88/522900388.db2.gz FRGBWFADESHRDY-CQSZACIVSA-N 1 0 290.473 2.263 10 0 CEAERO COc1cc([C@@H]([NH3+])Cc2cnn(C)c2)cc(Cl)c1OC ZINC000050542977 522913541 /nfs/dbraw/zinc/91/35/41/522913541.db2.gz RLVBABRKAYGPKO-LBPRGKRZSA-N 1 0 295.770 2.333 10 0 CEAERO COCC1CC[NH+]([C@@H](C)[C@@H](O)c2ccccc2)CC1 ZINC000070081769 522938171 /nfs/dbraw/zinc/93/81/71/522938171.db2.gz AMERPRPAZQWQFA-XJKSGUPXSA-N 1 0 263.381 2.467 10 0 CEAERO COc1cc2c(c(OC)c1OC)CCCC[C@H]2[NH3+] ZINC000054742701 522992955 /nfs/dbraw/zinc/99/29/55/522992955.db2.gz DYIDFRVJIRNKIH-LLVKDONJSA-N 1 0 251.326 2.439 10 0 CEAERO COC(=O)CCC[C@H]([NH3+])c1cc(OC)c(OC)cc1F ZINC000061561775 523047302 /nfs/dbraw/zinc/04/73/02/523047302.db2.gz QLAHIGIHXUVVPY-NSHDSACASA-N 1 0 285.315 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COC(=O)[C@@](C)(C[C@H](C)[N@H+](C)[C@@H](C)C1CC1)NC1CC1 ZINC000068625457 523816535 /nfs/dbraw/zinc/81/65/35/523816535.db2.gz HSLMURKNJUNXRK-MQIPJXDCSA-N 1 0 282.428 2.179 10 0 CEAERO COC(=O)[C@H](CC[N@H+](C)[C@@H]1CCCC[C@@H]1C)NC1CC1 ZINC000062522780 523898221 /nfs/dbraw/zinc/89/82/21/523898221.db2.gz QMMPLTMMJIGWIQ-AEGPPILISA-N 1 0 282.428 2.181 10 0 CEAERO COCC[NH2+]CC1(Cc2ccccc2F)CCOCC1 ZINC000061674605 523936441 /nfs/dbraw/zinc/93/64/41/523936441.db2.gz XAFCPSNNMHBBHA-UHFFFAOYSA-N 1 0 281.371 2.401 10 0 CEAERO COCC[NH2+]C[C@@H](CCOC)Cc1ccccc1OC ZINC000054667560 523940587 /nfs/dbraw/zinc/94/05/87/523940587.db2.gz IMVKAPHNODLJGG-AWEZNQCLSA-N 1 0 281.396 2.126 10 0 CEAERO COCC[NH2+]C[C@@]1(Cc2ccc(C)cc2)CCOC1 ZINC000054666374 523942784 /nfs/dbraw/zinc/94/27/84/523942784.db2.gz HKXVZSGMKLYLHK-INIZCTEOSA-N 1 0 263.381 2.180 10 0 CEAERO COCC[NH2+]C[C@H](CCOC)Cc1ccc(F)cc1 ZINC000054666756 523943422 /nfs/dbraw/zinc/94/34/22/523943422.db2.gz VIDJYJCHQWSQGW-CQSZACIVSA-N 1 0 269.360 2.257 10 0 CEAERO COCC[NH2+]C[C@](C)(O)c1ccc(C(C)C)cc1 ZINC000055033628 523944346 /nfs/dbraw/zinc/94/43/46/523944346.db2.gz CUTWNUFXUMWUDA-HNNXBMFYSA-N 1 0 251.370 2.254 10 0 CEAERO COCC[NH2+]C[C@H]1C[C@H]1c1cc2c(c(Cl)c1)OCO2 ZINC000054598716 523944841 /nfs/dbraw/zinc/94/48/41/523944841.db2.gz GKFJGUVEKIQWQB-MNOVXSKESA-N 1 0 283.755 2.408 10 0 CEAERO COCC[NH2+]C[C@]1(O)CCC(C)(C)c2ccccc21 ZINC000055030609 523945455 /nfs/dbraw/zinc/94/54/55/523945455.db2.gz RYFKGEDOLGMGBX-MRXNPFEDSA-N 1 0 263.381 2.182 10 0 CEAERO COCC[NH2+]Cc1cc(F)c(-n2ccc(C)n2)c(F)c1 ZINC000062738931 523948745 /nfs/dbraw/zinc/94/87/45/523948745.db2.gz AFEYOWUZMRSRHK-UHFFFAOYSA-N 1 0 281.306 2.195 10 0 CEAERO COCC[NH2+]Cc1cc(Cl)cc(Cl)c1OCCO ZINC000062733001 523949030 /nfs/dbraw/zinc/94/90/30/523949030.db2.gz LAXDMYQQGOJMAW-UHFFFAOYSA-N 1 0 294.178 2.101 10 0 CEAERO COCC[NH2+]Cc1ccc(OC)cc1OCC(F)(F)F ZINC000062733268 523951600 /nfs/dbraw/zinc/95/16/00/523951600.db2.gz ZWDAHFFBVHFXRV-UHFFFAOYSA-N 1 0 293.285 2.372 10 0 CEAERO CC[C@H](C)N1CC[NH+](CC(CC)(CC)CO)CC1 ZINC000055072900 523952424 /nfs/dbraw/zinc/95/24/24/523952424.db2.gz FPWKQUNHBZDLHO-AWEZNQCLSA-N 1 0 256.434 2.201 10 0 CEAERO COc1ccc(CCNC(=O)CC[C@H]2CCCC[NH2+]2)cc1 ZINC000050939471 523955537 /nfs/dbraw/zinc/95/55/37/523955537.db2.gz OFHJWPNQYVDOKO-OAHLLOKOSA-N 1 0 290.407 2.276 10 0 CEAERO COCC[NH2+]Cc1sc(N(C)C)nc1C(C)(C)C ZINC000054995964 523957881 /nfs/dbraw/zinc/95/78/81/523957881.db2.gz UPHPIRTZAIOJAF-UHFFFAOYSA-N 1 0 271.430 2.243 10 0 CEAERO COC(=O)[C@](C)(C[C@@H](C)[N@H+](C)CC1CCC1)NC1CC1 ZINC000068642724 524000103 /nfs/dbraw/zinc/00/01/03/524000103.db2.gz AAQUJKAYEYSPML-WBMJQRKESA-N 1 0 282.428 2.181 10 0 CEAERO COC(=O)[C@](C[N@H+](C)[C@@H](C)C(C)(C)C)(NC1CC1)C1CC1 ZINC000069101052 524003558 /nfs/dbraw/zinc/00/35/58/524003558.db2.gz UTYOALJSVLJWTP-YVEFUNNKSA-N 1 0 296.455 2.427 10 0 CEAERO COc1ccc(C[NH3+])cc1Cn1ccc(C(F)(F)F)n1 ZINC000050125630 524016585 /nfs/dbraw/zinc/01/65/85/524016585.db2.gz HHUFBLIYCBQROM-UHFFFAOYSA-N 1 0 285.269 2.418 10 0 CEAERO COCCOCc1cc(C[NH2+]CC(C)C)oc1C ZINC000052628348 524027685 /nfs/dbraw/zinc/02/76/85/524027685.db2.gz DYDVNNCCYBTDSB-UHFFFAOYSA-N 1 0 255.358 2.497 10 0 CEAERO COCCOc1cc(OC)ccc1C[NH2+]CC(C)C ZINC000062733173 524041191 /nfs/dbraw/zinc/04/11/91/524041191.db2.gz HKCHQVPUCFCERW-UHFFFAOYSA-N 1 0 267.369 2.466 10 0 CEAERO COc1ccc(CN2[C@H](C)C[NH2+]C[C@H]2C)cc1F ZINC000069134288 524043506 /nfs/dbraw/zinc/04/35/06/524043506.db2.gz HCWDIWLDNUKAEH-GHMZBOCLSA-N 1 0 252.333 2.017 10 0 CEAERO CCc1cccc(C)c1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000049632363 524066291 /nfs/dbraw/zinc/06/62/91/524066291.db2.gz LTDDZZWMDWQYIM-UHFFFAOYSA-N 1 0 296.436 2.299 10 0 CEAERO CNC(=O)COc1c(C)cc(C[NH2+]C(C)(C)C)cc1C ZINC000062728497 524074842 /nfs/dbraw/zinc/07/48/42/524074842.db2.gz JETMLIMJPWLZFX-UHFFFAOYSA-N 1 0 278.396 2.316 10 0 CEAERO CNC(=O)[C@H](C)Oc1cccc(C[NH2+]C(C)(C)C)c1 ZINC000062731295 524101688 /nfs/dbraw/zinc/10/16/88/524101688.db2.gz YOKQMECSTXNWJF-NSHDSACASA-N 1 0 264.369 2.088 10 0 CEAERO C[C@H]1CCC[NH2+][C@H]1C(=O)N1CCCc2ccccc2C1 ZINC000062946100 524124227 /nfs/dbraw/zinc/12/42/27/524124227.db2.gz LRSJLWNIJFQINN-XJKSGUPXSA-N 1 0 272.392 2.350 10 0 CEAERO C[C@H]1CCC[NH2+][C@H]1C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000051791077 524125763 /nfs/dbraw/zinc/12/57/63/524125763.db2.gz KZDKTMAHZFYFHM-XHDPSFHLSA-N 1 0 290.363 2.175 10 0 CEAERO C[C@H]1CCC[C@@H](N(C)S(=O)(=O)c2ccc(C[NH3+])cc2)C1 ZINC000049013978 524144012 /nfs/dbraw/zinc/14/40/12/524144012.db2.gz RGIQMFHAJAHHNG-GXTWGEPZSA-N 1 0 296.436 2.345 10 0 CEAERO C[C@@H]1CCCC[C@H]1N(C)CC[NH2+]C1CCOCC1 ZINC000062767842 524163484 /nfs/dbraw/zinc/16/34/84/524163484.db2.gz MKSCFAUPRQBCLE-UKRRQHHQSA-N 1 0 254.418 2.266 10 0 CEAERO C[C@H](CC[NH3+])N(C)C(=O)c1ccc(OC(F)F)cc1 ZINC000063085738 524172780 /nfs/dbraw/zinc/17/27/80/524172780.db2.gz ZLCCGHGDCAEEOA-SECBINFHSA-N 1 0 272.295 2.097 10 0 CEAERO C[C@@H]1CCCN(C(=O)[C@H]([NH3+])Cc2ccccc2)[C@H]1C ZINC000050565453 524205713 /nfs/dbraw/zinc/20/57/13/524205713.db2.gz 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274.389 2.495 10 0 CEAERO COc1ccc([C@@H](C)[NH2+]Cc2cnc[nH]2)cc1OC ZINC000054765149 525155461 /nfs/dbraw/zinc/15/54/61/525155461.db2.gz ZCSWAZYBJRPQMN-SNVBAGLBSA-N 1 0 261.325 2.278 10 0 CEAERO C[C@]1(C(=O)N2CCC[C@@H]2c2ccsc2)CC[NH2+]C1 ZINC000062895579 525191962 /nfs/dbraw/zinc/19/19/62/525191962.db2.gz MZLLFNLLQZJFLO-OCCSQVGLSA-N 1 0 264.394 2.411 10 0 CEAERO Cc1ccc(NC(=O)c2ccc(NN)[nH+]c2)c(C)c1 ZINC000051096262 525241021 /nfs/dbraw/zinc/24/10/21/525241021.db2.gz IESWVCLIOPKRRM-UHFFFAOYSA-N 1 0 256.309 2.236 10 0 CEAERO C[C@H]([NH2+]CCN(C)c1ccccc1F)[C@@H]1CCCO1 ZINC000053434447 525349847 /nfs/dbraw/zinc/34/98/47/525349847.db2.gz JRAXPMNJZLFLSQ-WFASDCNBSA-N 1 0 266.360 2.419 10 0 CEAERO COc1ccc([C@H](O)[C@@H]([NH3+])CC(C)C)c(OC)c1 ZINC000054929577 525376687 /nfs/dbraw/zinc/37/66/87/525376687.db2.gz DYHKKSBDXQJYFD-JSGCOSHPSA-N 1 0 253.342 2.111 10 0 CEAERO Cc1ccc(OC[C@@H]2CC[C@@H](C[NH2+]C3CC3)O2)cn1 ZINC000052596318 525431433 /nfs/dbraw/zinc/43/14/33/525431433.db2.gz 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ZINC000062859305 525805217 /nfs/dbraw/zinc/80/52/17/525805217.db2.gz WJXBDVOQQLWNLQ-IUODEOHRSA-N 1 0 262.353 2.163 10 0 CEAERO C[C@@]1(C(=O)N[C@H]2CCCc3occc32)CCC[NH2+]C1 ZINC000062859307 525806333 /nfs/dbraw/zinc/80/63/33/525806333.db2.gz WJXBDVOQQLWNLQ-SWLSCSKDSA-N 1 0 262.353 2.163 10 0 CEAERO Cc1c(N)cccc1C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000062082646 525819654 /nfs/dbraw/zinc/81/96/54/525819654.db2.gz GNKNAVGHUHZJGS-GFCCVEGCSA-N 1 0 275.396 2.039 10 0 CEAERO C[C@H](O)c1cc(F)ccc1N1CCC[C@@H]1C[NH+](C)C ZINC000061645476 525852564 /nfs/dbraw/zinc/85/25/64/525852564.db2.gz JBJDIKDSJYJYLO-WCQYABFASA-N 1 0 266.360 2.409 10 0 CEAERO C[C@@]1(c2ccccc2)CN(Cc2ccccn2)CC[NH2+]1 ZINC000068693697 525902438 /nfs/dbraw/zinc/90/24/38/525902438.db2.gz JKRGDXIXONFEOI-KRWDZBQOSA-N 1 0 267.376 2.402 10 0 CEAERO C[C@H](OCC[C@@H]1CCC[NH2+]C1)C(=O)N1CCCCCC1 ZINC000051917571 525902648 /nfs/dbraw/zinc/90/26/48/525902648.db2.gz AVHHQUINCWIQPZ-GJZGRUSLSA-N 1 0 282.428 2.184 10 0 CEAERO Cc1ccc(=O)n(CC[NH2+]Cc2ccc(Cl)s2)n1 ZINC000061811088 525976226 /nfs/dbraw/zinc/97/62/26/525976226.db2.gz CAQMUTZKSLTVNR-UHFFFAOYSA-N 1 0 283.784 2.056 10 0 CEAERO Cc1ccc(=O)n(C[C@H]([NH3+])c2ccc(CC(C)C)cc2)n1 ZINC000061810460 525977578 /nfs/dbraw/zinc/97/75/78/525977578.db2.gz HXYKFWGSMGFODW-INIZCTEOSA-N 1 0 285.391 2.450 10 0 CEAERO C[C@H]([C@H](O)c1ccccc1)[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061652638 526030376 /nfs/dbraw/zinc/03/03/76/526030376.db2.gz KCFVXUVSHDGFKU-BMFZPTHFSA-N 1 0 262.397 2.135 10 0 CEAERO COc1cccc(N(C)C(=O)[C@@H](C[NH3+])c2ccccc2)c1 ZINC000061613227 526129840 /nfs/dbraw/zinc/12/98/40/526129840.db2.gz BDPKRZYSHLSSIQ-INIZCTEOSA-N 1 0 284.359 2.401 10 0 CEAERO Cc1ccc(C(C)C)c(O[C@@H](C)C[C@](C)([NH3+])C(N)=O)c1 ZINC000068655712 526248776 /nfs/dbraw/zinc/24/87/76/526248776.db2.gz OPUCRHQPHUCGIE-LRDDRELGSA-N 1 0 278.396 2.479 10 0 CEAERO Cc1ccc(C(N)=O)c(N2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000063201522 526252120 /nfs/dbraw/zinc/25/21/20/526252120.db2.gz ALJCGFGRENWCAQ-HNNXBMFYSA-N 1 0 287.407 2.062 10 0 CEAERO C[C@H]1CCCC[C@@H]1OC(=O)[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000048633776 526259076 /nfs/dbraw/zinc/25/90/76/526259076.db2.gz QMRBBLHIHFVZHA-BPUTZDHNSA-N 1 0 294.439 2.325 10 0 CEAERO C[C@H]1CCCN(C(=O)c2c[nH+]c(NN)c(Cl)c2)[C@H]1C ZINC000051091736 526267239 /nfs/dbraw/zinc/26/72/39/526267239.db2.gz VZEIFBUTDLYAOR-IUCAKERBSA-N 1 0 282.775 2.281 10 0 CEAERO O=C([O-])[C@@H]1CCCC[C@H]1[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062756979 526270208 /nfs/dbraw/zinc/27/02/08/526270208.db2.gz MKSATQPMYHUWPP-HZPDHXFCSA-N 1 0 294.439 2.438 10 0 CEAERO Cc1nn(Cc2ccoc2C[NH3+])c(C)c1Br ZINC000052573619 526298445 /nfs/dbraw/zinc/29/84/45/526298445.db2.gz NOQZFNHIMOOZNR-UHFFFAOYSA-N 1 0 284.157 2.362 10 0 CEAERO Cc1nn([C@@H](c2ccncc2)[C@@H](C)[NH3+])c(C)c1Cl ZINC000050586400 526302663 /nfs/dbraw/zinc/30/26/63/526302663.db2.gz AVLMRZIKOIGSIO-AMIZOPFISA-N 1 0 264.760 2.485 10 0 CEAERO O[C@H]1CCOC[C@H]1[NH+]1CCC2(CCCCC2)CC1 ZINC000061821378 526312349 /nfs/dbraw/zinc/31/23/49/526312349.db2.gz QLPDDWQXHBMXHW-KGLIPLIRSA-N 1 0 253.386 2.183 10 0 CEAERO c1ccc(-c2noc(CC[C@H]3CCCC[NH2+]3)n2)nc1 ZINC000050927979 526457348 /nfs/dbraw/zinc/45/73/48/526457348.db2.gz HVJVJYDPRJLOIT-LLVKDONJSA-N 1 0 258.325 2.206 10 0 CEAERO c1ccc2c(c1)C[C@H](N1CCC[N@@H+]3CCC[C@@H]3C1)CN2 ZINC000062941032 526508884 /nfs/dbraw/zinc/50/88/84/526508884.db2.gz UJOLPYZLIQLNCP-CVEARBPZSA-N 1 0 271.408 2.193 10 0 CEAERO c1ccn2c(c1)nnc2SCC[NH2+]C1CCCC1 ZINC000061408923 526521449 /nfs/dbraw/zinc/52/14/49/526521449.db2.gz KOGSEDQBECRZGI-UHFFFAOYSA-N 1 0 262.382 2.354 10 0 CEAERO O=C(CC[C@@H]1CCCC[NH2+]1)NCc1ccccc1F ZINC000050940104 526547882 /nfs/dbraw/zinc/54/78/82/526547882.db2.gz IZLZNTPROQSMPT-ZDUSSCGKSA-N 1 0 264.344 2.364 10 0 CEAERO O=C(CC[C@H]1CCCC[NH2+]1)Nc1ccc2n[nH]cc2c1 ZINC000050944146 526565261 /nfs/dbraw/zinc/56/52/61/526565261.db2.gz NLYNALGWDYZXHK-GFCCVEGCSA-N 1 0 272.352 2.424 10 0 CEAERO O=C(CC[C@H]1CCCC[NH2+]1)OC[C@@H]1CCCCO1 ZINC000050928556 526565549 /nfs/dbraw/zinc/56/55/49/526565549.db2.gz CHWXAWQQDSGROJ-OLZOCXBDSA-N 1 0 255.358 2.021 10 0 CEAERO c1csc(CNC[C@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)n1 ZINC000049538977 526581751 /nfs/dbraw/zinc/58/17/51/526581751.db2.gz DYSCUZSGHFZFDY-TUAOUCFPSA-N 1 0 251.399 2.153 10 0 CEAERO NC(=[NH2+])c1ccccc1Sc1nnc2ccccn21 ZINC000061406777 526824274 /nfs/dbraw/zinc/82/42/74/526824274.db2.gz BTXYAXOEOYXULW-UHFFFAOYSA-N 1 0 269.333 2.165 10 0 CEAERO NC(=[NH2+])c1ccccc1CSc1nnc2ccccn21 ZINC000061406813 526824282 /nfs/dbraw/zinc/82/42/82/526824282.db2.gz AUADUTPCDFFBIT-UHFFFAOYSA-N 1 0 283.360 2.306 10 0 CEAERO Cc1nc(CN2CC[C@H](C[NH2+]C3CC3)C2)cs1 ZINC000053032278 526871402 /nfs/dbraw/zinc/87/14/02/526871402.db2.gz DYJYXTGSGMNYGV-LLVKDONJSA-N 1 0 251.399 2.025 10 0 CEAERO Cc1nc(Cc2ccncc2)[nH+]c(NN)c1C(C)C ZINC000061689049 526928762 /nfs/dbraw/zinc/92/87/62/526928762.db2.gz YRIBXCBDBXAJQM-UHFFFAOYSA-N 1 0 257.341 2.180 10 0 CEAERO NC(=O)[C@H]([NH2+]C[C@@H]1CCCO1)c1csc2ccccc21 ZINC000054464862 526996939 /nfs/dbraw/zinc/99/69/39/526996939.db2.gz BNBIXGMVEKFDEZ-IINYFYTJSA-N 1 0 290.388 2.196 10 0 CEAERO NC(=O)c1ccc(C[NH2+]CCc2ccsc2)c(F)c1 ZINC000049181558 527050854 /nfs/dbraw/zinc/05/08/54/527050854.db2.gz VGFLSPHXNDHOJU-UHFFFAOYSA-N 1 0 278.352 2.318 10 0 CEAERO NC(=S)c1ccc(F)cc1C[NH+]1CCCCC1 ZINC000069402564 527118492 /nfs/dbraw/zinc/11/84/92/527118492.db2.gz ORAPRYNMVVWIDV-UHFFFAOYSA-N 1 0 252.358 2.446 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1ccccc1-n1cccn1 ZINC000054306987 527119922 /nfs/dbraw/zinc/11/99/22/527119922.db2.gz OXBPXWYOZOTIQL-ZDUSSCGKSA-N 1 0 284.363 2.201 10 0 CEAERO [NH3+]CCc1cccc(C(=O)N2Cc3ccccc3C2)c1 ZINC000053663090 527198211 /nfs/dbraw/zinc/19/82/11/527198211.db2.gz AIHBRUBPOPAAIG-UHFFFAOYSA-N 1 0 266.344 2.344 10 0 CEAERO [NH3+]C[C@@H](Oc1cc(F)cc(F)c1)c1ccncc1 ZINC000054932482 527206595 /nfs/dbraw/zinc/20/65/95/527206595.db2.gz DGFGLJOKRNOSQW-CYBMUJFWSA-N 1 0 250.248 2.439 10 0 CEAERO Cn1cc(COc2ccc(C3=CC[NH2+]CC3)cc2)cn1 ZINC000050539323 527227578 /nfs/dbraw/zinc/22/75/78/527227578.db2.gz LJGMATIXLFBDFX-UHFFFAOYSA-N 1 0 269.348 2.376 10 0 CEAERO Cn1cc(C[C@@H]([NH3+])c2nccc3ccccc32)cn1 ZINC000069313697 527228968 /nfs/dbraw/zinc/22/89/68/527228968.db2.gz JFQYVQQJDBJHJI-CQSZACIVSA-N 1 0 252.321 2.211 10 0 CEAERO [NH3+]C[C@H](c1cccc(F)c1)N(CCO)Cc1ccccc1 ZINC000050514015 527230502 /nfs/dbraw/zinc/23/05/02/527230502.db2.gz JLENHAJFZHKPCQ-QGZVFWFLSA-N 1 0 288.366 2.320 10 0 CEAERO [NH3+]C[C@H](c1nc(-c2ccccn2)no1)c1ccccc1 ZINC000061609348 527230796 /nfs/dbraw/zinc/23/07/96/527230796.db2.gz RFUQAMCNRGZZSW-LBPRGKRZSA-N 1 0 266.304 2.222 10 0 CEAERO [NH3+]Cc1ccnc(C2(c3ccccc3)CCOCC2)n1 ZINC000062784125 527260742 /nfs/dbraw/zinc/26/07/42/527260742.db2.gz IAQCWGBOGXWKSM-UHFFFAOYSA-N 1 0 269.348 2.032 10 0 CEAERO [NH3+]Cc1cnc(Cc2cccc(Br)c2)nc1 ZINC000054855317 527262600 /nfs/dbraw/zinc/26/26/00/527262600.db2.gz YALZHDAETZQADM-UHFFFAOYSA-N 1 0 278.153 2.289 10 0 CEAERO [NH3+]Cc1coc(CN2CCN(Cc3ccccc3)CC2)c1 ZINC000052417124 527263236 /nfs/dbraw/zinc/26/32/36/527263236.db2.gz WEXZGPLRYBANEQ-UHFFFAOYSA-N 1 0 285.391 2.056 10 0 CEAERO [NH3+]Cc1nccn1Cc1sccc1Br ZINC000051003968 527267172 /nfs/dbraw/zinc/26/71/72/527267172.db2.gz DOLKXSFPJWODFB-UHFFFAOYSA-N 1 0 272.171 2.214 10 0 CEAERO NNc1ccc(Cl)c(CSC2CCOCC2)[nH+]1 ZINC000062056718 527280402 /nfs/dbraw/zinc/28/04/02/527280402.db2.gz RYTRWJFKQGFDBC-UHFFFAOYSA-N 1 0 273.789 2.433 10 0 CEAERO O=C(Nc1ccc2c(c1)C[NH2+]CC2)c1ccccc1O ZINC000069052635 527280453 /nfs/dbraw/zinc/28/04/53/527280453.db2.gz ZVXUPSIQPOUIFW-UHFFFAOYSA-N 1 0 268.316 2.290 10 0 CEAERO Cn1cc([C@@H]([NH3+])Cc2ccc(F)cc2Cl)cn1 ZINC000062607801 527292481 /nfs/dbraw/zinc/29/24/81/527292481.db2.gz VNLYNWMOHDEXAN-LBPRGKRZSA-N 1 0 253.708 2.455 10 0 CEAERO [NH3+][C@@H](c1ccc2c(c1)CC(=O)N2)c1ccc2c(c1)CCO2 ZINC000050892073 527338726 /nfs/dbraw/zinc/33/87/26/527338726.db2.gz HRLVKFCJRIOSGF-KRWDZBQOSA-N 1 0 280.327 2.164 10 0 CEAERO Cc1nccc(N(CCC[NH3+])c2cccc(F)c2)n1 ZINC000054935388 527343399 /nfs/dbraw/zinc/34/33/99/527343399.db2.gz VVFRRGPSCTZUQN-UHFFFAOYSA-N 1 0 260.316 2.411 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H](C(=O)OCc2ccccc2F)C1 ZINC000069280604 527349773 /nfs/dbraw/zinc/34/97/73/527349773.db2.gz DBQYXEGKXPZHRL-ZYHUDNBSSA-N 1 0 251.301 2.386 10 0 CEAERO [NH3+][C@H]1CCN(C2CC2)[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000070299681 527411176 /nfs/dbraw/zinc/41/11/76/527411176.db2.gz SECDLPODRWPKLJ-XJKSGUPXSA-N 1 0 274.364 2.084 10 0 CEAERO [NH3+][C@H]1Cc2ccccc2N(C(=O)c2ccc(F)cc2F)C1 ZINC000070195661 527420290 /nfs/dbraw/zinc/42/02/90/527420290.db2.gz GOGRZCCIBDZNPL-LBPRGKRZSA-N 1 0 288.297 2.495 10 0 CEAERO [NH3+][C@H]1Cc2ccccc2[C@H]1NC(=O)CC[C@@H]1CCCCO1 ZINC000069405634 527420489 /nfs/dbraw/zinc/42/04/89/527420489.db2.gz LNKZQVHJUYGNKY-JLJPHGGASA-N 1 0 288.391 2.077 10 0 CEAERO [NH3+][C@H]1c2ccccc2C[C@H]1S(=O)(=O)c1ccccc1 ZINC000061702584 527420897 /nfs/dbraw/zinc/42/08/97/527420897.db2.gz FEZKWDACMCUOKN-CABCVRRESA-N 1 0 273.357 2.085 10 0 CEAERO Cc1nccn1CCN1CC[NH2+]C[C@@]1(C)c1ccccc1 ZINC000068696569 527427372 /nfs/dbraw/zinc/42/73/72/527427372.db2.gz GDHSGUWNFROLBN-KRWDZBQOSA-N 1 0 284.407 2.012 10 0 CEAERO Nc1cc(N)[nH+]c(SCc2ccc(Cl)cc2N)n1 ZINC000050443926 527455603 /nfs/dbraw/zinc/45/56/03/527455603.db2.gz QPFCDCQJNSJUFN-UHFFFAOYSA-N 1 0 281.772 2.169 10 0 CEAERO Nc1cc([C@H]2CCC[NH2+]C2)nc2c(-c3ccccc3)cnn21 ZINC000060327784 527460408 /nfs/dbraw/zinc/46/04/08/527460408.db2.gz PKMHWWNKFMBGBK-ZDUSSCGKSA-N 1 0 293.374 2.446 10 0 CEAERO Nc1ccc(C(=O)N2CCC([NH+]3CCCC3)CC2)cc1F ZINC000054413301 527466571 /nfs/dbraw/zinc/46/65/71/527466571.db2.gz OJMMGOCNYQVLJN-UHFFFAOYSA-N 1 0 291.370 2.108 10 0 CEAERO Nc1cnn(CC[N@@H+]2CCC[C@H]2c2ccccc2)c1 ZINC000050614716 527539096 /nfs/dbraw/zinc/53/90/96/527539096.db2.gz IQNQURBNGDCRBI-HNNXBMFYSA-N 1 0 256.353 2.302 10 0 CEAERO Cc1nn(-c2nc(C)ccc2C[NH3+])c(C)c1Br ZINC000050588574 527568872 /nfs/dbraw/zinc/56/88/72/527568872.db2.gz WUXJIDKXSNYALB-UHFFFAOYSA-N 1 0 295.184 2.414 10 0 CEAERO FC(F)(F)c1cc(Cl)c2nnc([C@@H]3CC[NH2+]C3)n2c1 ZINC000062119486 527680014 /nfs/dbraw/zinc/68/00/14/527680014.db2.gz JVBNPEYDIIXWIE-ZCFIWIBFSA-N 1 0 290.676 2.478 10 0 CEAERO CCO[C@H](C)c1noc(CN(C)C[C@@H]2CCC[N@@H+]2CC)n1 ZINC000175356144 528018472 /nfs/dbraw/zinc/01/84/72/528018472.db2.gz CDAUTMJMAFWRPP-OLZOCXBDSA-N 1 0 296.415 2.083 10 0 CEAERO CCCCN(CCCC)C(=O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178639691 528400749 /nfs/dbraw/zinc/40/07/49/528400749.db2.gz ZZMQNFRGEJTKQW-MRXNPFEDSA-N 1 0 295.471 2.195 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCC1(C)CCC1 ZINC000177413477 528500094 /nfs/dbraw/zinc/50/00/94/528500094.db2.gz FUYFQWYCHFQHSI-CYBMUJFWSA-N 1 0 269.433 2.452 10 0 CEAERO CCC(O)(CC)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000165198369 528966189 /nfs/dbraw/zinc/96/61/89/528966189.db2.gz UQADJYMZYMXMQA-UHFFFAOYSA-N 1 0 276.424 2.355 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCC2(CC)CCC2)C1 ZINC000176440057 529055098 /nfs/dbraw/zinc/05/50/98/529055098.db2.gz XELQYGAQTTYTQT-CYBMUJFWSA-N 1 0 267.417 2.350 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCC1(C)CCC1 ZINC000176642658 529063539 /nfs/dbraw/zinc/06/35/39/529063539.db2.gz YQTIRRMEAZVOSN-CYBMUJFWSA-N 1 0 267.417 2.302 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cnc(C)s1 ZINC000175351416 529069828 /nfs/dbraw/zinc/06/98/28/529069828.db2.gz WBIONIXSFUPRNG-GFCCVEGCSA-N 1 0 253.415 2.368 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1nc(C(C)(C)C)no1 ZINC000175360027 529097450 /nfs/dbraw/zinc/09/74/50/529097450.db2.gz LMYOSCMZCKVHGQ-LBPRGKRZSA-N 1 0 280.416 2.283 10 0 CEAERO CC[C@H](C)[C@@H]([NH2+]C)[C@H](CC(=O)OC(C)(C)C)OC ZINC000504016163 529219150 /nfs/dbraw/zinc/21/91/50/529219150.db2.gz VRBFIJCLCNKGGT-GMXVVIOVSA-N 1 0 259.390 2.367 10 0 CEAERO CC[C@@H](O)C[NH+]1CCN([C@@H](C)c2cc(F)ccc2F)CC1 ZINC000174086283 529229562 /nfs/dbraw/zinc/22/95/62/529229562.db2.gz UWGQAIJKXUTSDM-GXTWGEPZSA-N 1 0 298.377 2.414 10 0 CEAERO CCSc1ccc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC000186936466 529241750 /nfs/dbraw/zinc/24/17/50/529241750.db2.gz FCMPITXGMRPITL-YNEHKIRRSA-N 1 0 291.420 2.003 10 0 CEAERO CCC[NH2+][C@@H]1CCN([C@@H](CC)C(N)=O)c2ccccc21 ZINC000071378529 535187571 /nfs/dbraw/zinc/18/75/71/535187571.db2.gz NVJAQHDFSYKSBD-KGLIPLIRSA-N 1 0 275.396 2.201 10 0 CEAERO CC[C@@]1(C)CN(c2cc(OC)ccc2OC)CC[NH2+]1 ZINC000086123174 536059208 /nfs/dbraw/zinc/05/92/08/536059208.db2.gz WAAAEKABUQVFGS-HNNXBMFYSA-N 1 0 264.369 2.282 10 0 CEAERO CC[C@@]1(CN2CCN(C)c3ccccc32)CC[NH2+]C1 ZINC000111464566 536077747 /nfs/dbraw/zinc/07/77/47/536077747.db2.gz DUSDPZOLQXXMJU-MRXNPFEDSA-N 1 0 259.397 2.333 10 0 CEAERO CCc1nc(Cl)c(C)c(N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000093538020 536144787 /nfs/dbraw/zinc/14/47/87/536144787.db2.gz SNHLUHCJGGZQBT-LLVKDONJSA-N 1 0 280.803 2.285 10 0 CEAERO COC(=O)c1cc(N2CCC[C@H](C[NH2+]C(C)C)C2)ccn1 ZINC000090739002 536513206 /nfs/dbraw/zinc/51/32/06/536513206.db2.gz OBFIMIAJFYKHIX-CYBMUJFWSA-N 1 0 291.395 2.083 10 0 CEAERO COc1cc(N2CCCC[C@H]2C[NH2+]C(C)(C)C)ncn1 ZINC000090783866 536827396 /nfs/dbraw/zinc/82/73/96/536827396.db2.gz LUNIISVPRIHCHF-LBPRGKRZSA-N 1 0 278.400 2.232 10 0 CEAERO COc1cccc2c1N(C(=O)[C@H](C[NH3+])C(C)C)CCC2 ZINC000087528458 536958561 /nfs/dbraw/zinc/95/85/61/536958561.db2.gz AWDAXZSDSDLUKL-CYBMUJFWSA-N 1 0 276.380 2.205 10 0 CEAERO COc1ccc2c(c1)CCCN2C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000070577581 536969491 /nfs/dbraw/zinc/96/94/91/536969491.db2.gz DYYWVNPETRSCKX-KBPBESRZSA-N 1 0 288.391 2.492 10 0 CEAERO COc1cccc(N2CC[NH+]([C@@H]3CCC[C@H](O)C3)CC2)c1 ZINC000093731525 537124962 /nfs/dbraw/zinc/12/49/62/537124962.db2.gz XQBZWRHWFPYHFA-ZBFHGGJFSA-N 1 0 290.407 2.121 10 0 CEAERO COc1cccc(N2CC[NH2+]CC23CCCCC3)n1 ZINC000088396658 537125742 /nfs/dbraw/zinc/12/57/42/537125742.db2.gz KDQVLJSYLBKBCI-UHFFFAOYSA-N 1 0 261.369 2.203 10 0 CEAERO CC(C)(C)OC(=O)N1CCO[C@H](c2ccc(C[NH3+])cc2)C1 ZINC000117720303 538737802 /nfs/dbraw/zinc/73/78/02/538737802.db2.gz BEOPBNFOLOEFOJ-AWEZNQCLSA-N 1 0 292.379 2.454 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000227389382 538816960 /nfs/dbraw/zinc/81/69/60/538816960.db2.gz DIMQPQRBXIRWHX-ARFHVFGLSA-N 1 0 272.392 2.378 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cccc2[nH]ccc21 ZINC000229583386 574441550 /nfs/dbraw/zinc/44/15/50/574441550.db2.gz DYLSXOHLCKNZAN-MFKMUULPSA-N 1 0 257.337 2.038 10 0 CEAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@@H]1c1cc(Cl)ccn1 ZINC000757185870 574511691 /nfs/dbraw/zinc/51/16/91/574511691.db2.gz BCJQYRDFWBSDJQ-WDEREUQCSA-N 1 0 282.771 2.380 10 0 CEAERO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(C)c(Cl)c1 ZINC000757185009 574511608 /nfs/dbraw/zinc/51/16/08/574511608.db2.gz PBAXKPRLDTUYPN-MNOVXSKESA-N 1 0 253.729 2.124 10 0 CEAERO Cc1cnn(CC[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]2C)c1 ZINC000309720312 625294426 /nfs/dbraw/zinc/29/44/26/625294426.db2.gz MAMPHEKVJHMAJN-FUHWJXTLSA-N 1 0 298.434 2.444 10 0 CEAERO Cc1nc(NC[C@H]([NH3+])C2CC2)ccc1Br ZINC000235951343 625577990 /nfs/dbraw/zinc/57/79/90/625577990.db2.gz UNJLWCTZATXRBL-JTQLQIEISA-N 1 0 270.174 2.302 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1c1nc(N2C[C@@H]3CCC[C@@H]3C2)no1 ZINC000757123779 622771264 /nfs/dbraw/zinc/77/12/64/622771264.db2.gz KALBHDLQDZEPCS-QNWHQSFQSA-N 1 0 276.384 2.291 10 0 CEAERO FC1(F)CCCC[C@H]1C[N@@H+]1CCC2(C1)OCCO2 ZINC000306904556 622844911 /nfs/dbraw/zinc/84/49/11/622844911.db2.gz KBASGCUSIGSYCC-NSHDSACASA-N 1 0 261.312 2.261 10 0 CEAERO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1cc(C)cc(Br)c1 ZINC000757183859 622956849 /nfs/dbraw/zinc/95/68/49/622956849.db2.gz IFPYTQSUQLPNEC-NWDGAFQWSA-N 1 0 298.180 2.234 10 0 CEAERO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(C)cc1Br ZINC000757184753 622957228 /nfs/dbraw/zinc/95/72/28/622957228.db2.gz NCJDKBAAFOUYJC-MNOVXSKESA-N 1 0 298.180 2.234 10 0 CEAERO O=C(NC[C@]12CC[C@H](C1)CC[NH2+]2)OCc1ccccc1 ZINC000757207384 622972074 /nfs/dbraw/zinc/97/20/74/622972074.db2.gz AKKDLZZVYIAPHL-BBRMVZONSA-N 1 0 274.364 2.445 10 0 CEAERO CCS(=O)(=O)c1ccc(N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000050163830 623328194 /nfs/dbraw/zinc/32/81/94/623328194.db2.gz DSLUGGPNXYHJGM-CHWSQXEVSA-N 1 0 296.436 2.280 10 0 CEAERO CC[C@@H](NC(=O)CC[C@H]1CCC[NH2+]1)c1nccs1 ZINC000261571363 623382661 /nfs/dbraw/zinc/38/26/61/623382661.db2.gz KZEUZKSLGUASAS-GHMZBOCLSA-N 1 0 267.398 2.243 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)Nc1cccc(F)c1 ZINC000061884450 623694662 /nfs/dbraw/zinc/69/46/62/623694662.db2.gz VQUWSXXYAWSHIY-SKDRFNHKSA-N 1 0 251.305 2.075 10 0 CEAERO C[C@@H]1CN(C(=O)Cc2cccc3ccccc32)C[C@H]1[NH3+] ZINC000235403459 624722170 /nfs/dbraw/zinc/72/21/70/624722170.db2.gz JVXFLCCMDINIQR-MLGOLLRUSA-N 1 0 268.360 2.188 10 0 CEAERO C[C@@H]1CC[C@H](C(=O)O[C@H]2CC[N@H+](Cc3ccccc3)C2)O1 ZINC000248116649 624827100 /nfs/dbraw/zinc/82/71/00/624827100.db2.gz CYPOICAOBHADNB-VNQPRFMTSA-N 1 0 289.375 2.372 10 0 CEAERO C[C@H](Cc1cccc(F)c1)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000246513360 624977367 /nfs/dbraw/zinc/97/73/67/624977367.db2.gz QRVHDTQBMAQNBH-OSAQELSMSA-N 1 0 278.371 2.248 10 0 CEAERO Cc1ccnc(N2CCC[C@@H]([NH3+])C2)c1Br ZINC000235922847 625793556 /nfs/dbraw/zinc/79/35/56/625793556.db2.gz JIMYAXCGGRFTPR-SECBINFHSA-N 1 0 270.174 2.080 10 0 CEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(F)c(C)c1 ZINC000166588099 627642392 /nfs/dbraw/zinc/64/23/92/627642392.db2.gz KTVJYXOGAMHXHZ-NWDGAFQWSA-N 1 0 251.301 2.000 10 0 CEAERO C[NH2+]CCc1noc([C@@H]2CCCc3sccc32)n1 ZINC000168464048 627682944 /nfs/dbraw/zinc/68/29/44/627682944.db2.gz JVTQTTBTWMOABW-SNVBAGLBSA-N 1 0 263.366 2.361 10 0 CEAERO CC[C@@H]1CN(S(=O)(=O)/C=C\c2ccccc2)CC[C@H]1[NH3+] ZINC000312150464 628141724 /nfs/dbraw/zinc/14/17/24/628141724.db2.gz DOFXPKZMNWRVFU-RQFGCTGCSA-N 1 0 294.420 2.046 10 0 CEAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1cnc2ccccc2c1 ZINC000311280555 628474806 /nfs/dbraw/zinc/47/48/06/628474806.db2.gz ZINBPHWCULVAHN-HOCLYGCPSA-N 1 0 256.349 2.485 10 0 CEAERO CC(C)CN1CCC[C@@H]1C[NH2+]C[C@H]1CCC=CO1 ZINC000194522398 628509236 /nfs/dbraw/zinc/50/92/36/628509236.db2.gz OMJZKJUWQBVLKX-HUUCEWRRSA-N 1 0 252.402 2.389 10 0 CEAERO CCS(=O)(=O)c1ccc(N2CCCC[C@H]2C[NH2+]C)cc1 ZINC000053706665 628512739 /nfs/dbraw/zinc/51/27/39/628512739.db2.gz APFNTTCSWGGCQO-AWEZNQCLSA-N 1 0 296.436 2.059 10 0 CEAERO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(Cl)ccc3O)C[C@@H]2C1 ZINC000312960511 628570126 /nfs/dbraw/zinc/57/01/26/628570126.db2.gz JJGCFATZNDTBTB-QWRGUYRKSA-N 1 0 294.782 2.069 10 0 CEAERO [NH3+]CC[C@H]1CCCN(c2ncc(Cl)cc2F)C1 ZINC000094052564 628750246 /nfs/dbraw/zinc/75/02/46/628750246.db2.gz XFLNAWYNCGTFJM-SECBINFHSA-N 1 0 257.740 2.439 10 0 CEAERO Cc1ccc([C@@H](C)[NH2+]C2CCN(CCO)CC2)c(C)c1 ZINC000399111247 628776245 /nfs/dbraw/zinc/77/62/45/628776245.db2.gz ZITWFNKIGYTHCK-OAHLLOKOSA-N 1 0 276.424 2.411 10 0 CEAERO CC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(CCO)CC1 ZINC000399157156 628781395 /nfs/dbraw/zinc/78/13/95/628781395.db2.gz DIULONDVVJAKEL-HIFRSBDPSA-N 1 0 254.418 2.002 10 0 CEAERO CCC(CC)(CNC(=O)C[C@@H]([NH3+])C(C)C)SC ZINC000225812663 628895572 /nfs/dbraw/zinc/89/55/72/628895572.db2.gz YBQAQIGOJHIOFO-LLVKDONJSA-N 1 0 260.447 2.398 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1c1nc([C@H]2CCCS2)no1 ZINC000250678028 628934305 /nfs/dbraw/zinc/93/43/05/628934305.db2.gz XDAQLELJQRQTSI-IVZWLZJFSA-N 1 0 253.371 2.480 10 0 CEAERO Cc1cc(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)ccc1Cl ZINC000261546258 628937155 /nfs/dbraw/zinc/93/71/55/628937155.db2.gz GUBIHZMWZOCZRV-BXKDBHETSA-N 1 0 252.745 2.210 10 0 CEAERO CC[NH2+]CC1CCN(c2nnc(C(F)F)s2)CC1 ZINC000261571099 628939153 /nfs/dbraw/zinc/93/91/53/628939153.db2.gz KVCLOQRCDJXLLL-UHFFFAOYSA-N 1 0 276.356 2.302 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N[C@H]1CCC[C@@H](C)CC1 ZINC000261587689 628941619 /nfs/dbraw/zinc/94/16/19/628941619.db2.gz VCMPTCAKDQJLCC-ZOBORPQBSA-N 1 0 252.402 2.460 10 0 CEAERO C[C@@H]1CCN(c2nccc(C(C)(C)C)n2)[C@H](C[NH3+])C1 ZINC000261581149 628941673 /nfs/dbraw/zinc/94/16/73/628941673.db2.gz FVNJUAOZIHMNAS-NEPJUHHUSA-N 1 0 262.401 2.338 10 0 CEAERO Cc1ccc2cc(CN3CC[C@@H]([NH3+])[C@H]3C)ccc2n1 ZINC000261579090 628941814 /nfs/dbraw/zinc/94/18/14/628941814.db2.gz DNONNLKSCZEPGE-IUODEOHRSA-N 1 0 255.365 2.465 10 0 CEAERO COC(=O)c1cc(Cl)cc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)c1 ZINC000178569254 628947967 /nfs/dbraw/zinc/94/79/67/628947967.db2.gz ZCINYGBICOBMKA-KWQFWETISA-N 1 0 296.754 2.193 10 0 CEAERO C[C@H]1CN(Cc2nc(-c3cccc(Cl)c3)no2)C[C@H]1[NH3+] ZINC000261634326 628953740 /nfs/dbraw/zinc/95/37/40/628953740.db2.gz FSCJEWKGNPIXGG-JOYOIKCWSA-N 1 0 292.770 2.169 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCc2cc(F)ccc2C1 ZINC000236957653 629132512 /nfs/dbraw/zinc/13/25/12/629132512.db2.gz ZZRSJJUIHJIDQH-QMTHXVAHSA-N 1 0 264.344 2.084 10 0 CEAERO Cc1sc2ncnc(N3CC[C@H]4[NH2+]CC[C@H]4C3)c2c1C ZINC000261710362 629143718 /nfs/dbraw/zinc/14/37/18/629143718.db2.gz JIKQULCKNHFELQ-NWDGAFQWSA-N 1 0 288.420 2.496 10 0 CEAERO CCN(Cc1cc(C(F)(F)F)n[nH]1)[C@H]1CCC[NH2+]CC1 ZINC000261745791 629179453 /nfs/dbraw/zinc/17/94/53/629179453.db2.gz BTPAAVZXWYOHKT-NSHDSACASA-N 1 0 290.333 2.393 10 0 CEAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1ccc(Cl)cn1 ZINC000261782334 629207758 /nfs/dbraw/zinc/20/77/58/629207758.db2.gz HNTZIYBRBADRQD-CNGMEFBOSA-N 1 0 293.798 2.371 10 0 CEAERO C[C@H](C[NH3+])c1noc(Cc2cccc(Cl)c2)n1 ZINC000054158524 629258423 /nfs/dbraw/zinc/25/84/23/629258423.db2.gz JQASTSIRAZGXCV-MRVPVSSYSA-N 1 0 251.717 2.376 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@H]([NH3+])C2CCOCC2)cc1F ZINC000261892678 629304784 /nfs/dbraw/zinc/30/47/84/629304784.db2.gz VSBAYANUZUKYQH-XHDPSFHLSA-N 1 0 294.370 2.065 10 0 CEAERO C[C@H]1CN(Cc2c(F)cccc2Br)C[C@H]1[NH3+] ZINC000261930254 629339292 /nfs/dbraw/zinc/33/92/92/629339292.db2.gz CSUPKDMPMPGDOS-QPUJVOFHSA-N 1 0 287.176 2.367 10 0 CEAERO COC[C@@H]([NH3+])C(=O)N(Cc1ccsc1)c1ccccc1 ZINC000262052414 629608455 /nfs/dbraw/zinc/60/84/55/629608455.db2.gz HPLJXYJKOWPPPP-CQSZACIVSA-N 1 0 290.388 2.255 10 0 CEAERO CC(=O)Nc1ccc(NC(=O)C[C@@H]2CCC[NH2+]C2)cc1C ZINC000054306432 631152922 /nfs/dbraw/zinc/15/29/22/631152922.db2.gz WPGGGVRXGNXKFY-ZDUSSCGKSA-N 1 0 289.379 2.282 10 0 CEAERO COC(=O)Nc1ccc(NC(=O)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000054307405 631153895 /nfs/dbraw/zinc/15/38/95/631153895.db2.gz YEPQZFSQYZCMKU-NSHDSACASA-N 1 0 291.351 2.193 10 0 CEAERO Cc1ccccc1CCC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000051986134 631460290 /nfs/dbraw/zinc/46/02/90/631460290.db2.gz GCKKYWQTUCEGAD-XYPWUTKMSA-N 1 0 272.392 2.327 10 0 CEAERO C[C@@H](OCc1ccccc1)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000237421434 631669214 /nfs/dbraw/zinc/66/92/14/631669214.db2.gz IVKRAOZASWBGLQ-IUDNXUCKSA-N 1 0 290.407 2.320 10 0 CEAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccc(Cl)nn1 ZINC000252856872 631674877 /nfs/dbraw/zinc/67/48/77/631674877.db2.gz LCEYNTPMNWXDPL-YPMHNXCESA-N 1 0 280.803 2.189 10 0 CEAERO COc1cccc([C@H]2C[NH2+]C[C@H]2C(=O)OC(C)(C)C)c1 ZINC000757184126 631830242 /nfs/dbraw/zinc/83/02/42/631830242.db2.gz IWIRQCNWSDNQQO-ZIAGYGMSSA-N 1 0 277.364 2.340 10 0 CEAERO CC(C)n1nccc1[C@H]1C[NH2+]C[C@@H]1C(=O)OC(C)(C)C ZINC000757192221 631833027 /nfs/dbraw/zinc/83/30/27/631833027.db2.gz WLUGYMPDIGAKPG-RYUDHWBXSA-N 1 0 279.384 2.109 10 0 CEAERO CCCCOC(=O)CC[N@@H+]1CCC[C@@H](NC(=O)CCC)C1 ZINC000101733565 637957981 /nfs/dbraw/zinc/95/79/81/637957981.db2.gz PPYZJBCSHZFGOB-CQSZACIVSA-N 1 0 298.427 2.101 10 0 CEAERO C[C@H](CCC[NH+](C)C)NC(=O)c1cncc2cccnc21 ZINC000222622765 639385690 /nfs/dbraw/zinc/38/56/90/639385690.db2.gz DZLKRAUUDLAPPP-GFCCVEGCSA-N 1 0 286.379 2.090 10 0 CEAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccc(Cl)nn1 ZINC000167261613 639510852 /nfs/dbraw/zinc/51/08/52/639510852.db2.gz LCEYNTPMNWXDPL-WCQYABFASA-N 1 0 280.803 2.189 10 0 CEAERO CCc1cnccc1-c1noc([C@H]2CC[C@@H]([NH3+])C2)n1 ZINC000167493204 639519853 /nfs/dbraw/zinc/51/98/53/639519853.db2.gz QOQHWDOOFKVBBM-WDEREUQCSA-N 1 0 258.325 2.289 10 0 CEAERO CO[C@H](c1noc([C@@H]2CCCC[C@@H]2C[NH3+])n1)C1CC1 ZINC000227333819 639584543 /nfs/dbraw/zinc/58/45/43/639584543.db2.gz GYRZFYKRPSGIMY-UTUOFQBUSA-N 1 0 265.357 2.400 10 0 CEAERO CCC(CC)(CNC(=O)[C@H]1CCC[C@@H]1C[NH3+])SC ZINC000227431027 639591817 /nfs/dbraw/zinc/59/18/17/639591817.db2.gz JPXSMBZKBMEVOL-NEPJUHHUSA-N 1 0 272.458 2.399 10 0 CEAERO CCc1cc(C(=O)N(C)C[C@H]2CC[N@H+](C)C2)cc(Cl)n1 ZINC000228116598 639617950 /nfs/dbraw/zinc/61/79/50/639617950.db2.gz PUNMONGQCAWSDZ-NSHDSACASA-N 1 0 295.814 2.321 10 0 CEAERO Cc1ccc2c(CC(=O)N3CC[N@@H+]4CCC[C@H]4C3)c[nH]c2c1 ZINC000171135384 639702704 /nfs/dbraw/zinc/70/27/04/639702704.db2.gz OYIQBBMOIJIOII-HNNXBMFYSA-N 1 0 297.402 2.325 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(F)cc1F ZINC000061884435 639727471 /nfs/dbraw/zinc/72/74/71/639727471.db2.gz DQVXMRZGQRTHTD-GZMMTYOYSA-N 1 0 269.295 2.214 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)CCCc1ccccc1 ZINC000061883536 639727578 /nfs/dbraw/zinc/72/75/78/639727578.db2.gz JUGREZMZOGGRSI-LSDHHAIUSA-N 1 0 260.381 2.253 10 0 CEAERO COc1cccc(-c2nc(C[C@H]3CCC[NH2+]C3)no2)c1 ZINC000063084713 639823755 /nfs/dbraw/zinc/82/37/55/639823755.db2.gz BBXIOAXAGFNVKV-LLVKDONJSA-N 1 0 273.336 2.287 10 0 CEAERO COc1ccccc1-c1nc(C[C@@H]2CCC[NH2+]C2)no1 ZINC000063084724 639823988 /nfs/dbraw/zinc/82/39/88/639823988.db2.gz RDSKJJPSSKGPJZ-NSHDSACASA-N 1 0 273.336 2.287 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1c1nc(-c2ccc(O)c(F)c2)no1 ZINC000232348981 639914550 /nfs/dbraw/zinc/91/45/50/639914550.db2.gz WLGIZRHTCUESKE-VHSXEESVSA-N 1 0 277.299 2.424 10 0 CEAERO [NH3+][C@@H](CCO)c1ccc(Cl)cc1Br ZINC000089063814 640036836 /nfs/dbraw/zinc/03/68/36/640036836.db2.gz VGVWYISKDVRHMU-VIFPVBQESA-N 1 0 264.550 2.485 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1c1nc(-c2ccc(O)cc2)no1 ZINC000089430702 640430573 /nfs/dbraw/zinc/43/05/73/640430573.db2.gz WXDLPZQFAIZYQK-PWSUYJOCSA-N 1 0 259.309 2.285 10 0 CEAERO CCc1ccc(CC(=O)N[C@H]2CCC[NH2+][C@H]2C)cc1 ZINC000193642979 640579820 /nfs/dbraw/zinc/57/98/20/640579820.db2.gz LSVMRASFQSSZFV-WFASDCNBSA-N 1 0 260.381 2.048 10 0 CEAERO CCCCOC[C@H](O)C[NH2+][C@@H]1CC[C@@H](SC)C1 ZINC000233002018 641298456 /nfs/dbraw/zinc/29/84/56/641298456.db2.gz OWSYKCNLVQHDMT-JHJVBQTASA-N 1 0 261.431 2.038 10 0 CEAERO CCc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)s1 ZINC000170858223 641370951 /nfs/dbraw/zinc/37/09/51/641370951.db2.gz JDTJKMSNTPPFLY-SNVBAGLBSA-N 1 0 252.383 2.087 10 0 CEAERO CSCCCCCCNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000182193308 641633842 /nfs/dbraw/zinc/63/38/42/641633842.db2.gz QKBWLAMRNSRTSR-CYBMUJFWSA-N 1 0 287.473 2.255 10 0 CEAERO CCc1ccc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)s1 ZINC000185070707 641932625 /nfs/dbraw/zinc/93/26/25/641932625.db2.gz KKDMQVVPFXDHTE-WCQGTBRESA-N 1 0 264.394 2.120 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21 ZINC000111264247 643755953 /nfs/dbraw/zinc/75/59/53/643755953.db2.gz NUDISJCHYWUQCY-KCPJHIHWSA-N 1 0 258.365 2.036 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@H](O)c1ccc(F)c(F)c1 ZINC000113269719 644310730 /nfs/dbraw/zinc/31/07/30/644310730.db2.gz RHZXXDZPRFEZHR-KFNAQCHYSA-N 1 0 296.361 2.167 10 0 CEAERO COc1cc(-c2noc([C@H]3CCC[NH2+]C3)n2)ccc1F ZINC000212280032 652048041 /nfs/dbraw/zinc/04/80/41/652048041.db2.gz FERRISHZRVIZBG-JTQLQIEISA-N 1 0 277.299 2.351 10 0 CEAERO O[C@@H]1C[NH2+][C@H](c2nc(-c3cccc4ccccc43)no2)C1 ZINC000131746856 652459789 /nfs/dbraw/zinc/45/97/89/652459789.db2.gz VOHNFNJPILMJOJ-FZMZJTMJSA-N 1 0 281.315 2.285 10 0 CEAERO CC1CCC(CNC(=O)[C@@]2(C)CCCC[NH2+]2)CC1 ZINC000133446504 652630336 /nfs/dbraw/zinc/63/03/36/652630336.db2.gz KUDUFQIJTNCNAM-SSDMNJCBSA-N 1 0 252.402 2.461 10 0 CEAERO Cc1cc(C)cc([C@H](O)CN(C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000133474313 652630908 /nfs/dbraw/zinc/63/09/08/652630908.db2.gz DNNNZGSERCMJKH-NVXWUHKLSA-N 1 0 276.424 2.220 10 0 CEAERO CCCNC(=O)c1ccccc1NC(=O)C[C@@H]([NH3+])C(C)C ZINC000136304713 653062678 /nfs/dbraw/zinc/06/26/78/653062678.db2.gz RDXVSASSYDRLDE-CYBMUJFWSA-N 1 0 291.395 2.138 10 0 CEAERO COc1ccc([C@H](C)[NH3+])cc1CS(=O)(=O)C(C)C ZINC000081980009 177910961 /nfs/dbraw/zinc/91/09/61/177910961.db2.gz BIMHTFKCZRMWEF-JTQLQIEISA-N 1 0 271.382 2.038 10 0 CEAERO Cc1ccccc1CS(=O)(=O)CCC[NH2+]C(C)C ZINC000081984992 177912739 /nfs/dbraw/zinc/91/27/39/177912739.db2.gz AFQSIJJMUMWQMW-UHFFFAOYSA-N 1 0 269.410 2.298 10 0 CEAERO C[C@@H]([C@@H]([NH3+])c1ccccc1)S(=O)(=O)C1CCCC1 ZINC000081988002 177914191 /nfs/dbraw/zinc/91/41/91/177914191.db2.gz FNFCGXIQWJSDDK-SMDDNHRTSA-N 1 0 267.394 2.432 10 0 CEAERO COc1ccccc1[S@@](=O)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000081999977 177917075 /nfs/dbraw/zinc/91/70/75/177917075.db2.gz BJQZSCWRZFMOQD-RRUGBERISA-N 1 0 267.394 2.463 10 0 CEAERO CCC[C@@H](C[S@@](=O)c1ccccc1OC)[NH2+]C ZINC000082000173 177917712 /nfs/dbraw/zinc/91/77/12/177917712.db2.gz LVOHLSRUZXRKAM-GTNSWQLSSA-N 1 0 255.383 2.191 10 0 CEAERO CN(C(=O)c1cccc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000082348260 177972380 /nfs/dbraw/zinc/97/23/80/177972380.db2.gz BIRBUQDNWQOLKA-GFCCVEGCSA-N 1 0 297.196 2.273 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1c1nc2cc(Br)cnc2[nH]1 ZINC000082557972 178095079 /nfs/dbraw/zinc/09/50/79/178095079.db2.gz OZQXENLDLDFUPF-POYBYMJQSA-N 1 0 281.157 2.043 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1c1nc2cc(Br)cnc2[nH]1 ZINC000082557971 178095414 /nfs/dbraw/zinc/09/54/14/178095414.db2.gz OZQXENLDLDFUPF-HTRCEHHLSA-N 1 0 281.157 2.043 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccccc1Br ZINC000082558832 178095681 /nfs/dbraw/zinc/09/56/81/178095681.db2.gz SRBUMYNMWULBPM-BDAKNGLRSA-N 1 0 283.169 2.243 10 0 CEAERO CC[C@H]1CN(CCc2ccccc2F)CC[N@@H+]1C[C@@H](C)O ZINC000121375009 365559232 /nfs/dbraw/zinc/55/92/32/365559232.db2.gz JVYYDVIZWSWMAF-ZBFHGGJFSA-N 1 0 294.414 2.145 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)CCCCSC)C1 ZINC000121462383 365571646 /nfs/dbraw/zinc/57/16/46/365571646.db2.gz WYAYWPCRMPMKHN-LBPRGKRZSA-N 1 0 258.431 2.120 10 0 CEAERO CCC(CC)(C[NH3+])Nc1ncc(Br)cn1 ZINC000082663617 178152433 /nfs/dbraw/zinc/15/24/33/178152433.db2.gz OEMUPNKZWJYSSJ-UHFFFAOYSA-N 1 0 273.178 2.169 10 0 CEAERO CN1c2ccc([C@@H]([NH3+])c3ccccc3)cc2CC1=O ZINC000034940647 361798894 /nfs/dbraw/zinc/79/88/94/361798894.db2.gz PNMXAHZLEFKVQJ-INIZCTEOSA-N 1 0 252.317 2.254 10 0 CEAERO NC(=[NH2+])c1cccc(COCCc2ccccn2)c1 ZINC000034958514 361800436 /nfs/dbraw/zinc/80/04/36/361800436.db2.gz IKLYEJBMHPVCPP-UHFFFAOYSA-N 1 0 255.321 2.125 10 0 CEAERO C[C@H]1CN2CC[N@H+](C)C[C@H]2C[C@@]1(C)c1cccc(O)c1 ZINC000035075263 361808420 /nfs/dbraw/zinc/80/84/20/361808420.db2.gz RVHGUBXCMCTOGS-YSVLISHTSA-N 1 0 274.408 2.306 10 0 CEAERO C[C@H]([NH3+])C[S@](=O)c1cc(Cl)ccc1Cl ZINC000082744580 178269174 /nfs/dbraw/zinc/26/91/74/178269174.db2.gz DTCFJXJYMWTGMC-DXRPGJJCSA-N 1 0 252.166 2.448 10 0 CEAERO CC1(NC(=O)c2c[nH+]c(NN)c(Cl)c2)CCCC1 ZINC000082786002 178292405 /nfs/dbraw/zinc/29/24/05/178292405.db2.gz WLOIKEPSNIKTJC-UHFFFAOYSA-N 1 0 268.748 2.083 10 0 CEAERO [NH3+][C@H]1CC[C@@H]([S@](=O)c2ccccc2Br)C1 ZINC000082820413 178317102 /nfs/dbraw/zinc/31/71/02/178317102.db2.gz FCPBXALNOWPCCX-IQMYEBEASA-N 1 0 288.210 2.437 10 0 CEAERO C[C@H]([NH3+])[C@H](CO)Sc1ccccc1Br ZINC000082987979 178332647 /nfs/dbraw/zinc/33/26/47/178332647.db2.gz TUNZOGTZZOCCOF-XVKPBYJWSA-N 1 0 276.199 2.249 10 0 CEAERO C[C@H](C[NH3+])[C@@H](O)c1cc(Br)ccc1F ZINC000083021728 178334598 /nfs/dbraw/zinc/33/45/98/178334598.db2.gz IJFXOEYERQKFSJ-LHLIQPBNSA-N 1 0 262.122 2.216 10 0 CEAERO C[C@@](O)(C[NH3+])CSc1ccccc1Br ZINC000082917455 178329508 /nfs/dbraw/zinc/32/95/08/178329508.db2.gz MWFCAYPMUTUPIP-SNVBAGLBSA-N 1 0 276.199 2.251 10 0 CEAERO C[C@H](CC[S@@](C)=O)[NH2+]Cc1ccnc2ccccc12 ZINC000125520986 365678488 /nfs/dbraw/zinc/67/84/88/365678488.db2.gz JORIYNLVHOMPEO-BLVKFPJESA-N 1 0 276.405 2.482 10 0 CEAERO [NH3+][C@@]1(Cc2ccc(F)cc2Br)CCOC1 ZINC000083186853 178351956 /nfs/dbraw/zinc/35/19/56/178351956.db2.gz JTQUSSHBYJJXMV-LLVKDONJSA-N 1 0 274.133 2.249 10 0 CEAERO COc1ccc(Br)cc1C[C@]1([NH3+])CCOC1 ZINC000083186756 178351984 /nfs/dbraw/zinc/35/19/84/178351984.db2.gz OQHCESPZJJWOBO-GFCCVEGCSA-N 1 0 286.169 2.118 10 0 CEAERO CCOc1ccc(NC(=O)CSCC[NH3+])cc1OCC ZINC000096751720 185111420 /nfs/dbraw/zinc/11/14/20/185111420.db2.gz MQHFVLBBDZOCFL-UHFFFAOYSA-N 1 0 298.408 2.114 10 0 CEAERO COCC[N@@H+](Cc1ccccc1F)C[C@H](O)COC(C)C ZINC000036096239 361828151 /nfs/dbraw/zinc/82/81/51/361828151.db2.gz KTVIXCOJQDQMNK-HNNXBMFYSA-N 1 0 299.386 2.060 10 0 CEAERO COc1ncccc1-c1nc2ccc(C[NH3+])cc2[nH]1 ZINC000096874527 185119274 /nfs/dbraw/zinc/11/92/74/185119274.db2.gz OFHMRQLMROFGIV-UHFFFAOYSA-N 1 0 254.293 2.092 10 0 CEAERO C[NH2+]CC[C@H](O)c1cc(OC)c(Cl)cc1OC ZINC000096889984 185124046 /nfs/dbraw/zinc/12/40/46/185124046.db2.gz RFJKTEHYXXGLLL-JTQLQIEISA-N 1 0 259.733 2.000 10 0 CEAERO COc1ccc(NC(C)=O)cc1[C@@H](C)CCC[NH3+] ZINC000096890685 185124059 /nfs/dbraw/zinc/12/40/59/185124059.db2.gz UFCXZBQLKSBJQF-JTQLQIEISA-N 1 0 250.342 2.496 10 0 CEAERO Cc1n[nH]cc1CN[C@@H](C[NH+](C)C)c1ccccc1 ZINC000036901600 361868315 /nfs/dbraw/zinc/86/83/15/361868315.db2.gz YBEWQFOPGXVOHT-HNNXBMFYSA-N 1 0 258.369 2.111 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[NH2+][C@H]2CCC[C@H]2C1 ZINC000096958499 185142013 /nfs/dbraw/zinc/14/20/13/185142013.db2.gz HJOHSKHVVDVSMK-RYUDHWBXSA-N 1 0 254.374 2.386 10 0 CEAERO COc1ccc(C[NH2+][C@H]2CCC[C@@H](O)C2)c(OC)c1 ZINC000037164320 361902623 /nfs/dbraw/zinc/90/26/23/361902623.db2.gz KARMEDYDRYSAGM-QWHCGFSZSA-N 1 0 265.353 2.097 10 0 CEAERO CCOC[C@@H](C)n1cncc1C1(C)CC[NH2+]CC1 ZINC000097019304 185152802 /nfs/dbraw/zinc/15/28/02/185152802.db2.gz UOFUMGAZOSDXDL-GFCCVEGCSA-N 1 0 251.374 2.122 10 0 CEAERO Cc1ccc([C@H](C)[NH2+]C2CCN(C(N)=O)CC2)c(C)c1 ZINC000037772157 361935681 /nfs/dbraw/zinc/93/56/81/361935681.db2.gz FFHXQIXVRBFVSZ-ZDUSSCGKSA-N 1 0 275.396 2.497 10 0 CEAERO [NH3+][C@H]1CCCN(CCSc2ccc(F)cc2)C1 ZINC000041029557 539033085 /nfs/dbraw/zinc/03/30/85/539033085.db2.gz FNHJUMVQACAMPG-LBPRGKRZSA-N 1 0 254.374 2.341 10 0 CEAERO Cc1cc(C[NH2+][C@@H](C(N)=O)C(C)C)ccc1Br ZINC000072738117 539165908 /nfs/dbraw/zinc/16/59/08/539165908.db2.gz WNRIXMLQCHVZAA-GFCCVEGCSA-N 1 0 299.212 2.357 10 0 CEAERO CC[C@H](NC(=O)[C@H]([NH3+])CC(C)C)c1nccs1 ZINC000080269042 539172416 /nfs/dbraw/zinc/17/24/16/539172416.db2.gz XAHRVLJWUYRWNA-ZJUUUORDSA-N 1 0 255.387 2.084 10 0 CEAERO CCc1c(C)cc2nc(C3C[NH2+]C3)nn2c1Br ZINC000725248632 539193529 /nfs/dbraw/zinc/19/35/29/539193529.db2.gz YYHWICGBCYMAHZ-UHFFFAOYSA-N 1 0 295.184 2.049 10 0 CEAERO CO[C@@H]1C[N@H+](Cc2cccc(C3CC3)c2)C[C@H]1c1c[nH]nn1 ZINC000668579119 539203408 /nfs/dbraw/zinc/20/34/08/539203408.db2.gz QZFJWYNPNHMCRG-DOTOQJQBSA-N 1 0 298.390 2.297 10 0 CEAERO CC(C)CC(=O)N1CCC[C@H]([C@]23CC[C@@H]2CC[NH2+]3)C1 ZINC000725263678 539212374 /nfs/dbraw/zinc/21/23/74/539212374.db2.gz ZIENZEZENGCJCC-YCPHGPKFSA-N 1 0 264.413 2.413 10 0 CEAERO CC(C)n1ccnc1C[NH2+][C@@H]1CCCC[C@H]1CO ZINC000124994620 539212563 /nfs/dbraw/zinc/21/25/63/539212563.db2.gz CIJUTSYOOMHNNG-QWHCGFSZSA-N 1 0 251.374 2.105 10 0 CEAERO C[C@H](c1cnn(CC2CCC2)c1)[N@@H+]1CC[C@@H](CO)C1 ZINC000725264344 539212820 /nfs/dbraw/zinc/21/28/20/539212820.db2.gz HXRXJKPHYNCFRU-TZMCWYRMSA-N 1 0 263.385 2.058 10 0 CEAERO CC(C)(C)OC(=O)[C@@](C)(C[NH3+])c1ccc(F)cc1 ZINC000725265189 539213114 /nfs/dbraw/zinc/21/31/14/539213114.db2.gz MRCNADRLTZQMGH-AWEZNQCLSA-N 1 0 253.317 2.384 10 0 CEAERO CC(C)[C@H]1C[NH2+]CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC000725271330 539215225 /nfs/dbraw/zinc/21/52/25/539215225.db2.gz CTVHNJODEDTDIM-CYBMUJFWSA-N 1 0 298.427 2.401 10 0 CEAERO CN1CCO[C@H](C[NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000150179627 539215462 /nfs/dbraw/zinc/21/54/62/539215462.db2.gz YTGNQGRSAXRWMP-CYBMUJFWSA-N 1 0 270.323 2.044 10 0 CEAERO CC1(C)CCc2ccccc2[C@H]1[NH2+]C[C@@H]1CNC(=O)C1 ZINC000398333033 539261768 /nfs/dbraw/zinc/26/17/68/539261768.db2.gz GRQKFYFRNVKEIW-BLLLJJGKSA-N 1 0 272.392 2.426 10 0 CEAERO O[C@@H]1CC[C@H]2C[N@H+](CCOCc3ccccc3)C[C@@H]2C1 ZINC000398926913 539262782 /nfs/dbraw/zinc/26/27/82/539262782.db2.gz NHEGXVQDPZLGPL-YESZJQIVSA-N 1 0 275.392 2.296 10 0 CEAERO c1ccc(CN2C[C@H]3C[C@@H](C2)C3[NH2+]C[C@@H]2CCCO2)cc1 ZINC000399636635 539267585 /nfs/dbraw/zinc/26/75/85/539267585.db2.gz XBCQXOWTSLHHSJ-KTGAGVNESA-N 1 0 286.419 2.276 10 0 CEAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CC3(C2)CCCCC3)C1 ZINC000336530902 282217970 /nfs/dbraw/zinc/21/79/70/282217970.db2.gz GXVBQMPDLTWFMP-UONOGXRCSA-N 1 0 279.428 2.445 10 0 CEAERO C[C@@H](NC(=O)C(C)(C)[NH3+])c1ccc2c(c1)CCCC2 ZINC000040922098 362009242 /nfs/dbraw/zinc/00/92/42/362009242.db2.gz GVFUEHKXGDKFPL-LLVKDONJSA-N 1 0 260.381 2.480 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CCC2(CCC2)CC1 ZINC000308703732 539291208 /nfs/dbraw/zinc/29/12/08/539291208.db2.gz WPUPRKDYWNUKDF-OLZOCXBDSA-N 1 0 250.386 2.167 10 0 CEAERO CCN1CCO[C@H](C[NH2+]C2[C@@H](C)CCC[C@@H]2C)C1 ZINC000225808157 539297854 /nfs/dbraw/zinc/29/78/54/539297854.db2.gz XTNRPQPWTJDHHJ-MELADBBJSA-N 1 0 254.418 2.121 10 0 CEAERO C[C@@H](NCC[NH2+][C@H](C)c1ccncc1)c1ccncc1 ZINC000019367988 343374557 /nfs/dbraw/zinc/37/45/57/343374557.db2.gz BFOGSPSCGNNNHA-ZIAGYGMSSA-N 1 0 270.380 2.478 10 0 CEAERO CC[NH+](CC)CCOc1ccccc1OC[C@@H](C)O ZINC000027873246 343394893 /nfs/dbraw/zinc/39/48/93/343394893.db2.gz LFWCPYWAFBRTTK-CYBMUJFWSA-N 1 0 267.369 2.167 10 0 CEAERO [NH3+]C[C@H](O)c1cccc(OCc2ccccc2)c1F ZINC000032240873 343411996 /nfs/dbraw/zinc/41/19/96/343411996.db2.gz MUJVDWHBAVZXAR-ZDUSSCGKSA-N 1 0 261.296 2.397 10 0 CEAERO c1[nH]c2ncncc2c1-c1cccc(C2=CC[NH2+]CC2)n1 ZINC000035281806 343421905 /nfs/dbraw/zinc/42/19/05/343421905.db2.gz BHEZPSQBKDMCKG-UHFFFAOYSA-N 1 0 277.331 2.397 10 0 CEAERO COc1cc(C[NH2+][C@@H]2CCC[C@H](O)C2)cc(OC)c1OC ZINC000037164262 343426064 /nfs/dbraw/zinc/42/60/64/343426064.db2.gz GOHAMCMBAWJBBY-OLZOCXBDSA-N 1 0 295.379 2.106 10 0 CEAERO CN(Cc1ccsc1)C(=O)C1CCC([NH3+])CC1 ZINC000037626251 343430534 /nfs/dbraw/zinc/43/05/34/343430534.db2.gz WGVKKZXQAQJLGC-UHFFFAOYSA-N 1 0 252.383 2.224 10 0 CEAERO COc1ccc([C@@H](C)[NH2+]Cc2cn[nH]c2)cc1OC ZINC000038005896 343433085 /nfs/dbraw/zinc/43/30/85/343433085.db2.gz SEPBYXUQOTXCES-SNVBAGLBSA-N 1 0 261.325 2.278 10 0 CEAERO [NH3+]CCCN1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000038295535 343434309 /nfs/dbraw/zinc/43/43/09/343434309.db2.gz PLJDJHOUYPGFDS-UHFFFAOYSA-N 1 0 288.222 2.464 10 0 CEAERO CCc1ccc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)o1 ZINC000133040988 136389888 /nfs/dbraw/zinc/38/98/88/136389888.db2.gz VEIPWGYNQIKXLC-CYBMUJFWSA-N 1 0 286.379 2.391 10 0 CEAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000052270423 290061226 /nfs/dbraw/zinc/06/12/26/290061226.db2.gz VTTRMAHTHNRHDU-KWBADKCTSA-N 1 0 253.367 2.149 10 0 CEAERO COc1ncnc(N2CCC(C[NH2+]C(C)C)CC2)c1C ZINC000090789024 536904691 /nfs/dbraw/zinc/90/46/91/536904691.db2.gz QNSFTYOIVAGDII-UHFFFAOYSA-N 1 0 278.400 2.008 10 0 CEAERO O[C@@H](C[NH2+]Cc1ccc(F)cc1F)COCc1ccco1 ZINC000051017449 343547515 /nfs/dbraw/zinc/54/75/15/343547515.db2.gz ZQXOGSRVLFSGQD-ZDUSSCGKSA-N 1 0 297.301 2.225 10 0 CEAERO CC[C@@H]1CC[C@@H](C)N(C(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000306095735 539327183 /nfs/dbraw/zinc/32/71/83/539327183.db2.gz MEZGOHVJQVZEEO-MCIONIFRSA-N 1 0 252.402 2.413 10 0 CEAERO C[C@@H](C(=O)N(C)[C@@H](C)c1c(F)cccc1F)C1C[NH2+]C1 ZINC000262207534 295708148 /nfs/dbraw/zinc/70/81/48/295708148.db2.gz NSDWKPTYYCAIKZ-ZJUUUORDSA-N 1 0 282.334 2.340 10 0 CEAERO C[C@@H]1C[C@H]1c1ccc(CN2CCO[C@H](C[NH+](C)C)C2)o1 ZINC000128146850 187353843 /nfs/dbraw/zinc/35/38/43/187353843.db2.gz RTUWROCHDWCYCG-BPLDGKMQSA-N 1 0 278.396 2.165 10 0 CEAERO O=C(c1ccc2c(c1)CCC2)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000049515940 362368848 /nfs/dbraw/zinc/36/88/48/362368848.db2.gz XAVYHEJEWYUZTQ-INIZCTEOSA-N 1 0 270.376 2.096 10 0 CEAERO C[NH+]1CCN(Cc2ccc(C(F)(F)F)cc2N)CC1 ZINC000115698083 344283937 /nfs/dbraw/zinc/28/39/37/344283937.db2.gz GIXKNGOTGJACOC-UHFFFAOYSA-N 1 0 273.302 2.035 10 0 CEAERO C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000134125912 344372088 /nfs/dbraw/zinc/37/20/88/344372088.db2.gz PCTSABJKVKRUSZ-AATLWQCWSA-N 1 0 266.307 2.207 10 0 CEAERO CC[C@H](CC[NH+](CC)CC)NS(=O)(=O)c1ccccc1 ZINC000141502904 344401557 /nfs/dbraw/zinc/40/15/57/344401557.db2.gz HACSHQRHBYSDPD-CQSZACIVSA-N 1 0 298.452 2.475 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1Oc1ccncc1Br ZINC000159993896 344457097 /nfs/dbraw/zinc/45/70/97/344457097.db2.gz CGPMQDXGVORJEN-WPRPVWTQSA-N 1 0 257.131 2.103 10 0 CEAERO [NH3+]Cc1c(Br)cccc1-n1cccn1 ZINC000164960913 344473135 /nfs/dbraw/zinc/47/31/35/344473135.db2.gz KZFSXJGNGZJHMQ-UHFFFAOYSA-N 1 0 252.115 2.094 10 0 CEAERO C[NH2+]C[C@@H](C)c1ncc(I)s1 ZINC000167375322 344478532 /nfs/dbraw/zinc/47/85/32/344478532.db2.gz LBUFHTZSSCZARK-RXMQYKEDSA-N 1 0 282.150 2.071 10 0 CEAERO C[N@H+](CCCO)C[C@@H](O)C(c1ccccc1)c1ccccc1 ZINC000169322440 344481812 /nfs/dbraw/zinc/48/18/12/344481812.db2.gz WOGSKGRPHLDNLO-GOSISDBHSA-N 1 0 299.414 2.494 10 0 CEAERO C[C@H]1C[C@H]1NC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000170811959 344490339 /nfs/dbraw/zinc/49/03/39/344490339.db2.gz HYUVBUOWMOYWNM-FRRDWIJNSA-N 1 0 267.417 2.205 10 0 CEAERO [NH3+]CCCc1n[nH]c2c1cccc2Br ZINC000215298168 344533850 /nfs/dbraw/zinc/53/38/50/344533850.db2.gz IBMSDLBHJJPVEG-UHFFFAOYSA-N 1 0 254.131 2.217 10 0 CEAERO O[C@]1(c2cccc(Br)c2)CCC[NH2+]C1 ZINC000215435391 344533913 /nfs/dbraw/zinc/53/39/13/344533913.db2.gz LHYAHQDJVIPXIK-LLVKDONJSA-N 1 0 256.143 2.020 10 0 CEAERO CC(C)[C@@H]1CCN(c2cnc3ccccc3n2)CC[NH2+]1 ZINC000217909447 344535753 /nfs/dbraw/zinc/53/57/53/344535753.db2.gz AURAFYDFYDVYQB-ZDUSSCGKSA-N 1 0 270.380 2.454 10 0 CEAERO CCCCNC(=O)O[C@H]1C[NH2+]C[C@@H]1c1ccc(F)cc1 ZINC000225919410 344547815 /nfs/dbraw/zinc/54/78/15/344547815.db2.gz IKYJJOQNYAKNKD-KGLIPLIRSA-N 1 0 280.343 2.407 10 0 CEAERO C[C@H]([NH3+])C[S@@](=O)c1c(Cl)cccc1Cl ZINC000227966980 344558152 /nfs/dbraw/zinc/55/81/52/344558152.db2.gz YMKKHKGBGFTXNS-DXRPGJJCSA-N 1 0 252.166 2.448 10 0 CEAERO CCS(=O)(=O)c1ccc(N[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000228268707 344559953 /nfs/dbraw/zinc/55/99/53/344559953.db2.gz IOJXJMCKGPLTBB-WDEREUQCSA-N 1 0 270.398 2.018 10 0 CEAERO C[C@@H](Nc1ncnc(N)c1Br)C1CC1 ZINC000235218132 344589806 /nfs/dbraw/zinc/58/98/06/344589806.db2.gz VPBHWWXNGPPIPC-RXMQYKEDSA-N 1 0 257.135 2.032 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)N1CCc2ccc(F)cc21 ZINC000236188904 344594738 /nfs/dbraw/zinc/59/47/38/344594738.db2.gz HFQZFCCEBHLWSH-NSHDSACASA-N 1 0 262.328 2.105 10 0 CEAERO [NH3+][C@H]1CCCCC[C@H]1NC(=O)NCc1ccccc1 ZINC000232306476 344577285 /nfs/dbraw/zinc/57/72/85/344577285.db2.gz KTZOMFVHDAPQOV-UONOGXRCSA-N 1 0 261.369 2.146 10 0 CEAERO O=C1NCCC[C@H]1[NH2+]Cc1cccc2ccccc21 ZINC000050393832 362417082 /nfs/dbraw/zinc/41/70/82/362417082.db2.gz MPGXCIQRCBPFSJ-OAHLLOKOSA-N 1 0 254.333 2.208 10 0 CEAERO COc1ccc(CC[N@@H+]2CCC[C@@H]2CCCO)cc1 ZINC000052761983 362474070 /nfs/dbraw/zinc/47/40/70/362474070.db2.gz FONRFGAQSNQZTF-OAHLLOKOSA-N 1 0 263.381 2.475 10 0 CEAERO OCCC[C@@H]1CCC[N@@H+]1CCOc1ccccc1F ZINC000052761934 362474084 /nfs/dbraw/zinc/47/40/84/362474084.db2.gz QVWPULKXXKNAIW-ZDUSSCGKSA-N 1 0 267.344 2.441 10 0 CEAERO COc1ccc(CC[N@@H+]2CCC[C@H]2CCCO)cc1 ZINC000052761984 362474230 /nfs/dbraw/zinc/47/42/30/362474230.db2.gz FONRFGAQSNQZTF-HNNXBMFYSA-N 1 0 263.381 2.475 10 0 CEAERO OCCC[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccccc2)o1 ZINC000052762097 362474280 /nfs/dbraw/zinc/47/42/80/362474280.db2.gz PNWSNACHEQVGIZ-CQSZACIVSA-N 1 0 287.363 2.474 10 0 CEAERO [NH3+]C[C@@H]1CCCN1C(=O)CCOc1cccc(Cl)c1 ZINC000237942987 344604872 /nfs/dbraw/zinc/60/48/72/344604872.db2.gz JBTJIQCGITZBDU-LBPRGKRZSA-N 1 0 282.771 2.059 10 0 CEAERO CC(C)(C)OC(=O)N1C[C@H]([NH3+])C[C@@H](C(F)(F)F)C1 ZINC000238135496 344605503 /nfs/dbraw/zinc/60/55/03/344605503.db2.gz MTUOZRYHCWOEFS-HTQZYQBOSA-N 1 0 268.279 2.133 10 0 CEAERO COc1cc([C@@H]([NH3+])CF)cc(Br)c1O ZINC000238417157 344606646 /nfs/dbraw/zinc/60/66/46/344606646.db2.gz RKSSBTXSKSHPCE-ZETCQYMHSA-N 1 0 264.094 2.133 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@@H]1[C@H](C)[C@@H](OC)C1(CC)CC ZINC000262590054 344654764 /nfs/dbraw/zinc/65/47/64/344654764.db2.gz ULDDXPGPCLYBBJ-WUHRBBMRSA-N 1 0 270.417 2.070 10 0 CEAERO CC[C@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])C1)Oc1cccc(F)c1 ZINC000262643858 344655400 /nfs/dbraw/zinc/65/54/00/344655400.db2.gz QJIOGKHMTLCRCE-IACUBPJLSA-N 1 0 294.370 2.227 10 0 CEAERO CC[C@H](C)[N@@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000248373780 344622375 /nfs/dbraw/zinc/62/23/75/344622375.db2.gz LHOMLXNSKZUHKZ-SMDDNHRTSA-N 1 0 250.390 2.405 10 0 CEAERO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000252114532 344638488 /nfs/dbraw/zinc/63/84/88/344638488.db2.gz IHKDDKIAMMBPTP-MGPQQGTHSA-N 1 0 252.402 2.413 10 0 CEAERO O[C@@H](c1cscc1Br)[C@H]1C=CC[NH2+]1 ZINC000307454022 344722861 /nfs/dbraw/zinc/72/28/61/344722861.db2.gz VZWQVCWKLQHEFR-BDAKNGLRSA-N 1 0 260.156 2.072 10 0 CEAERO [NH3+]C1CCC(C(=O)Nc2nc3ccccc3[nH]2)CC1 ZINC000311248210 344733283 /nfs/dbraw/zinc/73/32/83/344733283.db2.gz OKLHVKBRXSKUAR-UHFFFAOYSA-N 1 0 258.325 2.019 10 0 CEAERO CN1CCC[C@H]([NH3+])[C@H]1c1occc1Br ZINC000300216534 344698909 /nfs/dbraw/zinc/69/89/09/344698909.db2.gz RKBPYSKBBSCSGV-IUCAKERBSA-N 1 0 259.147 2.136 10 0 CEAERO [NH3+]CC1(Oc2ccc(Br)cc2F)CC1 ZINC000300750630 344701512 /nfs/dbraw/zinc/70/15/12/344701512.db2.gz KHGRLEPHBAJGMX-UHFFFAOYSA-N 1 0 260.106 2.458 10 0 CEAERO [NH3+][C@@H]1CCc2cc(N3C(=O)c4ccccc4C3=O)ccc2C1 ZINC000306281253 344712929 /nfs/dbraw/zinc/71/29/29/344712929.db2.gz WGXVJLQDGNSKBI-CYBMUJFWSA-N 1 0 292.338 2.303 10 0 CEAERO [NH3+][C@@H]1CCO[C@@H]1c1cccc(Br)c1F ZINC000306566255 344714456 /nfs/dbraw/zinc/71/44/56/344714456.db2.gz SBKXKVFVAPYNEG-PSASIEDQSA-N 1 0 260.106 2.377 10 0 CEAERO CC[C@@H]1CC[C@@H]([NH3+])[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000306558188 344714675 /nfs/dbraw/zinc/71/46/75/344714675.db2.gz OQQGZFWOLGMXEH-HONMWMINSA-N 1 0 272.348 2.189 10 0 CEAERO C[N@H+](C[C@H]1CCc2nccn2C1)C[C@](C)(O)c1ccccc1 ZINC000328628023 344756668 /nfs/dbraw/zinc/75/66/68/344756668.db2.gz GUKVZQXAUGKBDP-QAPCUYQASA-N 1 0 299.418 2.285 10 0 CEAERO CCC[C@H]([NH2+]C[C@H]1CN(CC)CCO1)C1CCC1 ZINC000322868276 539408083 /nfs/dbraw/zinc/40/80/83/539408083.db2.gz VNMKLXPCPQZGBQ-GJZGRUSLSA-N 1 0 254.418 2.266 10 0 CEAERO C[C@@H](CC(N)=[NH2+])N(C)C(=O)Nc1ccc(F)cc1F ZINC000083757581 178742362 /nfs/dbraw/zinc/74/23/62/178742362.db2.gz QEBARHZABCCJQR-ZETCQYMHSA-N 1 0 270.283 2.143 10 0 CEAERO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1C[C@H]1CCC[C@H](O)C1 ZINC000380748192 344823403 /nfs/dbraw/zinc/82/34/03/344823403.db2.gz NBKAFFFQZAKSMC-IHRRRGAJSA-N 1 0 283.412 2.344 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@H](C)[C@@H]1CC2CCC1CC2 ZINC000381668321 344824814 /nfs/dbraw/zinc/82/48/14/344824814.db2.gz KTBMTCNXMMSQJD-JKZOPUQSSA-N 1 0 252.402 2.445 10 0 CEAERO COC(=O)c1cccc(CN2CC[C@@H]([NH+](C)C)C2)c1Cl ZINC000381787501 344825237 /nfs/dbraw/zinc/82/52/37/344825237.db2.gz ARJKDJRYQUAGFP-GFCCVEGCSA-N 1 0 296.798 2.263 10 0 CEAERO [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@@H]2CC3CCC2CC3)C1 ZINC000400106034 344860267 /nfs/dbraw/zinc/86/02/67/344860267.db2.gz IDBOXOPSRGULIP-QXRZNBQRSA-N 1 0 264.413 2.446 10 0 CEAERO CC(C)(C)c1nc(CN2CC[C@@H]3OCC[NH2+][C@@H]3C2)cs1 ZINC000404095660 344877892 /nfs/dbraw/zinc/87/78/92/344877892.db2.gz XVCMBSCSCGOBKA-OLZOCXBDSA-N 1 0 295.452 2.003 10 0 CEAERO Fc1c(Cl)cccc1CN1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404255913 344878765 /nfs/dbraw/zinc/87/87/65/344878765.db2.gz LXLYYOFVGYDVBA-CHWSQXEVSA-N 1 0 284.762 2.042 10 0 CEAERO C[NH2+][C@@H](C[S@@](=O)c1ccc2c(c1)CCC2)C1CC1 ZINC000084030872 178773173 /nfs/dbraw/zinc/77/31/73/178773173.db2.gz CTTVWZRSAVSMDY-YJBOKZPZSA-N 1 0 263.406 2.281 10 0 CEAERO C[C@@H]([NH3+])CCC[S@](=O)c1ccc2c(c1)CCC2 ZINC000084030955 178773289 /nfs/dbraw/zinc/77/32/89/178773289.db2.gz KWMVEYRVXLBSOQ-PIGZYNQJSA-N 1 0 251.395 2.410 10 0 CEAERO C[NH2+][C@H](C[S@](=O)CCOC)c1cccc2ccccc21 ZINC000084035523 178775699 /nfs/dbraw/zinc/77/56/99/178775699.db2.gz DJODIJUPBQDDHM-UZLBHIALSA-N 1 0 291.416 2.495 10 0 CEAERO CC[NH2+][C@@H](C[S@](=O)c1ccccc1C)C1CC1 ZINC000084040059 178776666 /nfs/dbraw/zinc/77/66/66/178776666.db2.gz AINMHNYARMQEJY-SUMWQHHRSA-N 1 0 251.395 2.491 10 0 CEAERO CCC[NH2+][C@@H]1c2ccc(OC)cc2CC[C@@H]1[S@](C)=O ZINC000084046920 178778250 /nfs/dbraw/zinc/77/82/50/178778250.db2.gz PCCWAYBFQHJNNO-QMTMVMCOSA-N 1 0 281.421 2.429 10 0 CEAERO [NH3+][C@H]1C[C@@H](O)C[C@H]1Nc1nc2ccc(Cl)cc2s1 ZINC000584603485 344963689 /nfs/dbraw/zinc/96/36/89/344963689.db2.gz YVSMDRPBCWNYML-KHQFGBGNSA-N 1 0 283.784 2.212 10 0 CEAERO Cc1cnc(-c2cnc(C(F)(F)F)nc2)cc1C[NH3+] ZINC000584636828 344970993 /nfs/dbraw/zinc/97/09/93/344970993.db2.gz FTTYSBZUOOGXEF-UHFFFAOYSA-N 1 0 268.242 2.325 10 0 CEAERO CCN1CC[C@@H]2C[N@H+](Cc3ccccc3)CCN2C1=O ZINC000584640010 344971890 /nfs/dbraw/zinc/97/18/90/344971890.db2.gz ATVGUPCMRWDSFY-OAHLLOKOSA-N 1 0 273.380 2.018 10 0 CEAERO C[C@@H](COc1ccc(O)cc1)[N@@H+]1CC[C@@H](CF)C1 ZINC000584648368 344973050 /nfs/dbraw/zinc/97/30/50/344973050.db2.gz GWWNKXHKJFYWCR-RYUDHWBXSA-N 1 0 253.317 2.451 10 0 CEAERO CSCCc1nnc(CC[NH2+]CC(C)C)s1 ZINC000084121406 178797577 /nfs/dbraw/zinc/79/75/77/178797577.db2.gz JHGNRGHGKVZXJP-UHFFFAOYSA-N 1 0 259.444 2.232 10 0 CEAERO C[NH2+][C@@H](C)c1cccc(SCCN2CCNC2=O)c1 ZINC000084124196 178798614 /nfs/dbraw/zinc/79/86/14/178798614.db2.gz FHGCDNDMOYGDHK-NSHDSACASA-N 1 0 279.409 2.084 10 0 CEAERO COc1ccccc1C[C@@H](C)NC(=O)CC1([NH3+])CCCC1 ZINC000084169394 178813450 /nfs/dbraw/zinc/81/34/50/178813450.db2.gz QFWBXVQMDXGWHV-CYBMUJFWSA-N 1 0 290.407 2.404 10 0 CEAERO C[NH2+][C@H](C)C(=O)Nc1ccccc1OCC(C)C ZINC000054074623 362508594 /nfs/dbraw/zinc/50/85/94/362508594.db2.gz GUDIQNVGAAZEEU-LLVKDONJSA-N 1 0 250.342 2.268 10 0 CEAERO C[NH2+][C@H](C)C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000054073333 362508989 /nfs/dbraw/zinc/50/89/89/362508989.db2.gz BSUFWGDSMDGVPM-LDYMZIIASA-N 1 0 268.357 2.087 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)N[C@@H]1CCc2ccccc2C1 ZINC000054292820 362523059 /nfs/dbraw/zinc/52/30/59/362523059.db2.gz LCNDKAHQIFRHOS-CZUORRHYSA-N 1 0 272.392 2.050 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)N[C@@H]1CCc2ccccc2C1 ZINC000054292814 362523246 /nfs/dbraw/zinc/52/32/46/362523246.db2.gz LCNDKAHQIFRHOS-XJKSGUPXSA-N 1 0 272.392 2.050 10 0 CEAERO COc1ccc([C@@H](C)NC(=O)C[C@H]2CCC[NH2+]C2)cc1F ZINC000054307264 362525229 /nfs/dbraw/zinc/52/52/29/362525229.db2.gz KPTYTWMCEDJVFU-VXGBXAGGSA-N 1 0 294.370 2.401 10 0 CEAERO [NH3+]CCc1cn(Cc2ccccc2Br)cn1 ZINC000084197683 178822524 /nfs/dbraw/zinc/82/25/24/178822524.db2.gz DTIWMHUEBVPTBH-UHFFFAOYSA-N 1 0 280.169 2.195 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1Oc1ncccc1Br ZINC000084241210 178831025 /nfs/dbraw/zinc/83/10/25/178831025.db2.gz ZOYWAUDJFPBEMI-WCBMZHEXSA-N 1 0 271.158 2.350 10 0 CEAERO COc1ccc([C@H]([NH3+])Cc2c(C)nn(C)c2C)cc1OC ZINC000097078303 185521710 /nfs/dbraw/zinc/52/17/10/185521710.db2.gz KJYALYWZOYSCCK-CQSZACIVSA-N 1 0 289.379 2.297 10 0 CEAERO CCOC(=O)[C@@](C)(N)C[C@H](C)[NH+]1CCCCCCC1 ZINC000084296277 178848405 /nfs/dbraw/zinc/84/84/05/178848405.db2.gz YJVFXQWJRIXSQS-ZFWWWQNUSA-N 1 0 270.417 2.312 10 0 CEAERO CCOC(=O)[C@](C)(N)C[C@@H](C)[NH+]1CCC(CC)CC1 ZINC000084350151 178863123 /nfs/dbraw/zinc/86/31/23/178863123.db2.gz HDFYBORNYSXWCC-IUODEOHRSA-N 1 0 270.417 2.168 10 0 CEAERO C[NH2+][C@H](C[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1C ZINC000097120664 185540347 /nfs/dbraw/zinc/54/03/47/185540347.db2.gz KLKPDVBDTREYMN-SMDDNHRTSA-N 1 0 285.384 2.219 10 0 CEAERO CCS(=O)(=O)CCCC1(C[NH2+]C(C)(C)C)CC1 ZINC000097148105 185549350 /nfs/dbraw/zinc/54/93/50/185549350.db2.gz WKEHLJKAWZYKAN-UHFFFAOYSA-N 1 0 261.431 2.370 10 0 CEAERO CC[NH2+][C@@H](c1cc(CC)nn1C)C1CCOCC1 ZINC000097181019 185556220 /nfs/dbraw/zinc/55/62/20/185556220.db2.gz IPZFCGYANWRDIE-CQSZACIVSA-N 1 0 251.374 2.060 10 0 CEAERO CC[C@H]1CCCCN1C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000057870593 362597869 /nfs/dbraw/zinc/59/78/69/362597869.db2.gz MASQHJVNWITPEV-KGLIPLIRSA-N 1 0 267.417 2.445 10 0 CEAERO CCC[NH2+][C@@H](c1c(C)nn(C)c1C)[C@@H]1CCOC1 ZINC000097181711 185557709 /nfs/dbraw/zinc/55/77/09/185557709.db2.gz HLCWBVXOPGSRAA-TZMCWYRMSA-N 1 0 251.374 2.114 10 0 CEAERO CCn1nc(C[C@](C)(O)C[NH2+]C(C)C)c2ccccc21 ZINC000097210328 185564712 /nfs/dbraw/zinc/56/47/12/185564712.db2.gz NDNSLZCWRLZJBI-INIZCTEOSA-N 1 0 275.396 2.348 10 0 CEAERO CCC1CCC([C@H]([NH3+])C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000097226315 185567425 /nfs/dbraw/zinc/56/74/25/185567425.db2.gz YFXSRQKKTKYAMV-FKZOYECMSA-N 1 0 273.442 2.355 10 0 CEAERO C[NH2+][C@@H](CCSC)Cc1nc2ccccc2n1C ZINC000097303474 185580935 /nfs/dbraw/zinc/58/09/35/185580935.db2.gz JJGVHKSARJYYQW-NSHDSACASA-N 1 0 263.410 2.457 10 0 CEAERO C[NH2+][C@@H](Cc1ccccn1)Cn1cnc2ccccc21 ZINC000097272594 185575912 /nfs/dbraw/zinc/57/59/12/185575912.db2.gz YZLHPGKEETVWOK-AWEZNQCLSA-N 1 0 266.348 2.262 10 0 CEAERO CCc1cc(C[C@@H]([NH2+]C)[C@]2(C)CCCS2)n(C)n1 ZINC000097277021 185576372 /nfs/dbraw/zinc/57/63/72/185576372.db2.gz PKUSERZBCJQHFN-KGLIPLIRSA-N 1 0 267.442 2.399 10 0 CEAERO CCCn1ncnc1C[C@@H]([NH3+])[C@H]1Cc2ccccc2S1 ZINC000097281761 185578690 /nfs/dbraw/zinc/57/86/90/185578690.db2.gz FKRCGDBCHBQLJZ-TZMCWYRMSA-N 1 0 288.420 2.275 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H]([NH3+])[C@@H]1CCOC2(CCOCC2)C1 ZINC000097310878 185583757 /nfs/dbraw/zinc/58/37/57/185583757.db2.gz QJMNMDVPVHEXOP-HIFRSBDPSA-N 1 0 293.411 2.013 10 0 CEAERO Cc1ccc(SCC(=[NH2+])N2CCOCC2)cc1 ZINC000097333451 185586277 /nfs/dbraw/zinc/58/62/77/185586277.db2.gz CYMGLQNNHDPYCY-UHFFFAOYSA-N 1 0 250.367 2.397 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H]([NH3+])[C@@H]1CCOC2(CCC2)C1 ZINC000097306566 185582282 /nfs/dbraw/zinc/58/22/82/185582282.db2.gz QXKPIBMLEWQKFX-OCCSQVGLSA-N 1 0 263.385 2.386 10 0 CEAERO CCc1cc([C@H]([NH3+])[C@@H]2CCc3cccnc32)n(C)n1 ZINC000097305244 185582563 /nfs/dbraw/zinc/58/25/63/185582563.db2.gz LVQCASNSTDSTOI-GXTWGEPZSA-N 1 0 256.353 2.107 10 0 CEAERO C[NH2+][C@H](c1ccnnc1)[C@H]1CCOC2(CCCC2)C1 ZINC000097338478 185586820 /nfs/dbraw/zinc/58/68/20/185586820.db2.gz KFQXHUKRAUALJK-JSGCOSHPSA-N 1 0 261.369 2.477 10 0 CEAERO C[NH2+][C@H](Cc1ccn(C)n1)[C@H]1CSc2ccccc21 ZINC000097353369 185588189 /nfs/dbraw/zinc/58/81/89/185588189.db2.gz DZDSOXVUJNAQMY-UONOGXRCSA-N 1 0 273.405 2.440 10 0 CEAERO Cc1ccccc1CN(C)C(=O)c1c[nH+]ccc1N ZINC000127507402 187311575 /nfs/dbraw/zinc/31/15/75/187311575.db2.gz TVZBWFNOFXLEDM-UHFFFAOYSA-N 1 0 255.321 2.244 10 0 CEAERO C[NH2+][C@H](Cc1c(C)nn(C)c1Cl)c1snnc1C ZINC000097391838 185597620 /nfs/dbraw/zinc/59/76/20/185597620.db2.gz QAGANRJFAULAKL-SECBINFHSA-N 1 0 285.804 2.045 10 0 CEAERO C[NH2+]CC1CC(Oc2ccc(Br)cn2)C1 ZINC000084985414 178938998 /nfs/dbraw/zinc/93/89/98/178938998.db2.gz KPUKAKQISWWQQG-UHFFFAOYSA-N 1 0 271.158 2.221 10 0 CEAERO CC[NH2+][C@@H](CSc1cccc(C)c1)Cc1ncnn1C ZINC000097396404 185598235 /nfs/dbraw/zinc/59/82/35/185598235.db2.gz MEWOYSJNBFCLBC-CYBMUJFWSA-N 1 0 290.436 2.436 10 0 CEAERO COC(=O)C[C@H](c1ccccc1OC)C(C)(C)[NH3+] ZINC000097433586 185602979 /nfs/dbraw/zinc/60/29/79/185602979.db2.gz SSXPGBFCBUBGRV-LLVKDONJSA-N 1 0 251.326 2.079 10 0 CEAERO COc1ccc(CC[C@@](C)(CCO)[C@H](C)[NH3+])cc1 ZINC000097434892 185603302 /nfs/dbraw/zinc/60/33/02/185603302.db2.gz AZWXPJOEZLNBGR-WFASDCNBSA-N 1 0 251.370 2.364 10 0 CEAERO C[NH2+][C@@H](Cc1cccc(OC)c1F)c1snnc1C ZINC000097415422 185599422 /nfs/dbraw/zinc/59/94/22/185599422.db2.gz HWZRCYQNGVEHOE-JTQLQIEISA-N 1 0 281.356 2.497 10 0 CEAERO Cn1cc(C[C@@]2([NH3+])CCC[C@H](C(F)(F)F)C2)cn1 ZINC000085128944 178952822 /nfs/dbraw/zinc/95/28/22/178952822.db2.gz VCSDHXBNPHYDGH-QWRGUYRKSA-N 1 0 261.291 2.413 10 0 CEAERO FC(F)(F)[C@@H]1CCC[C@H]([NH2+]CCCc2nnc[nH]2)C1 ZINC000085130117 178953138 /nfs/dbraw/zinc/95/31/38/178953138.db2.gz WFJQCSALVSUATB-ZJUUUORDSA-N 1 0 276.306 2.448 10 0 CEAERO C[NH2+][C@H](Cn1cnc2ccccc21)[C@@H](C)CCOC ZINC000097424663 185601136 /nfs/dbraw/zinc/60/11/36/185601136.db2.gz HKLPFXZQNVGRBS-GXTWGEPZSA-N 1 0 261.369 2.297 10 0 CEAERO COC(=O)CC1(C[NH3+])CCC(C(F)(F)F)CC1 ZINC000097430366 185601854 /nfs/dbraw/zinc/60/18/54/185601854.db2.gz YYSVPGUZWWGCMN-UHFFFAOYSA-N 1 0 253.264 2.247 10 0 CEAERO CCCS(=O)(=O)c1ccc(NC[C@H](C)CC[NH3+])cc1 ZINC000097441349 185605145 /nfs/dbraw/zinc/60/51/45/185605145.db2.gz XJCMVJNIURTFPC-GFCCVEGCSA-N 1 0 284.425 2.267 10 0 CEAERO CC[NH2+][C@](C)(CO)C[C@H](C)N1Cc2ccccc2C1 ZINC000085210838 178973295 /nfs/dbraw/zinc/97/32/95/178973295.db2.gz ARTNUWMHQVMQRH-BBRMVZONSA-N 1 0 262.397 2.141 10 0 CEAERO C[C@@H]1SCCC[C@@H]1[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000094477207 136513610 /nfs/dbraw/zinc/51/36/10/136513610.db2.gz WHKXBEKRIUMTSW-MJBXVCDLSA-N 1 0 292.452 2.319 10 0 CEAERO CC[NH2+][C@@H](C)[C@H]1CCCN(c2ncccc2F)C1 ZINC000094618566 136514143 /nfs/dbraw/zinc/51/41/43/136514143.db2.gz ULQGUNCMOBTPAY-RYUDHWBXSA-N 1 0 251.349 2.435 10 0 CEAERO CCN(CC(F)(F)F)[C@H](C)C[C@@](C)(CO)[NH2+]C1CC1 ZINC000085241585 178982003 /nfs/dbraw/zinc/98/20/03/178982003.db2.gz SJSPBWIJDKZBPN-PWSUYJOCSA-N 1 0 282.350 2.152 10 0 CEAERO Cc1cc(F)ccc1C[C@@H](NN)C(C)(C)[NH+]1CCCC1 ZINC000097581437 185629960 /nfs/dbraw/zinc/62/99/60/185629960.db2.gz KBTTZJUBCOELPS-OAHLLOKOSA-N 1 0 279.403 2.383 10 0 CEAERO CCC(CC)([C@H](CCC[C@H]1CCCO1)NN)[NH+](C)C ZINC000097586515 185632206 /nfs/dbraw/zinc/63/22/06/185632206.db2.gz DAYUIDBDJMXLGR-KBPBESRZSA-N 1 0 271.449 2.288 10 0 CEAERO C[NH+](C)C1([C@@H](NN)c2cccc3c2OCC3)CCCCC1 ZINC000097589651 185633967 /nfs/dbraw/zinc/63/39/67/185633967.db2.gz KIDJKKPYSKMEMW-INIZCTEOSA-N 1 0 289.423 2.390 10 0 CEAERO CC[NH2+][C@@H](CO)CCOc1ccccc1C(F)(F)F ZINC000085282957 179000923 /nfs/dbraw/zinc/00/09/23/179000923.db2.gz AUZNWHSZNCZDTC-SNVBAGLBSA-N 1 0 277.286 2.445 10 0 CEAERO CCC[NH2+][C@](C)(CO)COc1ccc(C)cc1C ZINC000085283498 179001702 /nfs/dbraw/zinc/00/17/02/179001702.db2.gz LYYCTBVDPWJNBC-OAHLLOKOSA-N 1 0 251.370 2.433 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCOc1ccccc1OCC ZINC000085283785 179001727 /nfs/dbraw/zinc/00/17/27/179001727.db2.gz PRFZXSICNJOFOP-OAHLLOKOSA-N 1 0 267.369 2.215 10 0 CEAERO CC[NH2+][C@](C)(CO)C[C@H](C)n1nc(C)c(CC)c1C ZINC000085264134 178993719 /nfs/dbraw/zinc/99/37/19/178993719.db2.gz AMSOVRPQAPTKHM-NHYWBVRUSA-N 1 0 267.417 2.374 10 0 CEAERO CCC[NH2+][C@@H](CO)CCOc1cc(F)cc(F)c1 ZINC000085265132 178995351 /nfs/dbraw/zinc/99/53/51/178995351.db2.gz DGMYEHHDYIJESL-GFCCVEGCSA-N 1 0 259.296 2.094 10 0 CEAERO C[NH2+][C@@](C)(CO)CCCOc1cc(F)cc(F)c1 ZINC000085265207 178995381 /nfs/dbraw/zinc/99/53/81/178995381.db2.gz YCGFAILMMAKODI-CYBMUJFWSA-N 1 0 259.296 2.094 10 0 CEAERO [NH3+][C@](CO)(COc1ccc2ccccc2c1)C1CC1 ZINC000085285725 179003344 /nfs/dbraw/zinc/00/33/44/179003344.db2.gz QEUJVMYXMWUESI-MRXNPFEDSA-N 1 0 257.333 2.318 10 0 CEAERO C[NH2+][C@](C)(CO)C[C@H](C)Oc1ccc(C)cc1OC ZINC000085285984 179003479 /nfs/dbraw/zinc/00/34/79/179003479.db2.gz VGSCAYOGJXKRFL-WFASDCNBSA-N 1 0 267.369 2.131 10 0 CEAERO Cc1cc(C(C)(C)C)ccc1OCC[C@H]([NH3+])CO ZINC000085286579 179004005 /nfs/dbraw/zinc/00/40/05/179004005.db2.gz FCTYWCPDMMORPE-ZDUSSCGKSA-N 1 0 251.370 2.381 10 0 CEAERO CC[NH2+][C@](CO)(COc1ccc(F)c(F)c1)C1CC1 ZINC000085286718 179004117 /nfs/dbraw/zinc/00/41/17/179004117.db2.gz USEKLVJPCNAHRT-CQSZACIVSA-N 1 0 271.307 2.094 10 0 CEAERO CC[NH2+][C@@](CO)(COc1ccc(F)c(F)c1)C1CC1 ZINC000085286717 179004135 /nfs/dbraw/zinc/00/41/35/179004135.db2.gz USEKLVJPCNAHRT-AWEZNQCLSA-N 1 0 271.307 2.094 10 0 CEAERO CC[NH2+][C@@](CO)(COc1ccccc1CC)C1CC1 ZINC000085286367 179004197 /nfs/dbraw/zinc/00/41/97/179004197.db2.gz UFQSCCVBIRRUBP-INIZCTEOSA-N 1 0 263.381 2.378 10 0 CEAERO CCC[NH2+][C@@](C)(CO)C[C@H](C)Sc1nccn1C ZINC000085299187 179009979 /nfs/dbraw/zinc/00/99/79/179009979.db2.gz HFPFPQDBTXISIQ-WCQYABFASA-N 1 0 271.430 2.041 10 0 CEAERO Cc1cc(C)nc(SCCCC[C@](C)([NH3+])CO)n1 ZINC000085287952 179005489 /nfs/dbraw/zinc/00/54/89/179005489.db2.gz BDMLJBGQTHHBOS-ZDUSSCGKSA-N 1 0 269.414 2.066 10 0 CEAERO COCCCSCCCC[C@](C)(CO)[NH2+]C1CC1 ZINC000085289985 179005847 /nfs/dbraw/zinc/00/58/47/179005847.db2.gz VCSWYAZXDKPXMW-CQSZACIVSA-N 1 0 275.458 2.429 10 0 CEAERO [NH3+][C@](CO)(CSc1ccccn1)c1ccccc1 ZINC000085292024 179007877 /nfs/dbraw/zinc/00/78/77/179007877.db2.gz KLNQDUANOPMLHX-CQSZACIVSA-N 1 0 260.362 2.020 10 0 CEAERO C[C@H](C[C@](C)([NH3+])CO)Sc1ncnc2ccccc21 ZINC000085297225 179008636 /nfs/dbraw/zinc/00/86/36/179008636.db2.gz JJMXHMJRXQMNHV-YGRLFVJLSA-N 1 0 277.393 2.210 10 0 CEAERO C[NH2+][C@](C)(CO)CCCOc1cc(C)ccc1C ZINC000085284600 179002813 /nfs/dbraw/zinc/00/28/13/179002813.db2.gz KYDRHLKGRXWGDE-HNNXBMFYSA-N 1 0 251.370 2.433 10 0 CEAERO Cc1ccc(OC[C@](C)(O)C[NH3+])c(C(C)(C)C)c1 ZINC000085306458 179012875 /nfs/dbraw/zinc/01/28/75/179012875.db2.gz BWTADWZVQMUTIS-OAHLLOKOSA-N 1 0 251.370 2.381 10 0 CEAERO C[C@@H](C[C@](C)(O)C[NH3+])Sc1nc2ccccc2[nH]1 ZINC000085308476 179013021 /nfs/dbraw/zinc/01/30/21/179013021.db2.gz MMXZZXYYPRJCQA-ZANVPECISA-N 1 0 265.382 2.143 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1c1nc2ccccc2n1CCO ZINC000085321811 179015514 /nfs/dbraw/zinc/01/55/14/179015514.db2.gz PGXBMDPRCHWSGK-VXGBXAGGSA-N 1 0 259.353 2.014 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)NCc1ccccc1Cl ZINC000085355964 179030320 /nfs/dbraw/zinc/03/03/20/179030320.db2.gz VQQRGQKMTLXVIM-YPMHNXCESA-N 1 0 266.772 2.474 10 0 CEAERO COc1ccc(C)cc1NC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085356312 179030354 /nfs/dbraw/zinc/03/03/54/179030354.db2.gz JVBZNBDLOWQTRC-NWDGAFQWSA-N 1 0 262.353 2.460 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1ccc(F)c(F)c1 ZINC000085356628 179030777 /nfs/dbraw/zinc/03/07/77/179030777.db2.gz ISHPVANHFNFTJX-CABZTGNLSA-N 1 0 254.280 2.421 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1ccc(F)cc1F ZINC000085356886 179030981 /nfs/dbraw/zinc/03/09/81/179030981.db2.gz OWLMBUQUDJKMNS-ONGXEEELSA-N 1 0 254.280 2.421 10 0 CEAERO COC(=O)c1cccc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])c1C ZINC000085362418 179034261 /nfs/dbraw/zinc/03/42/61/179034261.db2.gz GUQSAMFICZYKQT-STQMWFEESA-N 1 0 290.363 2.238 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1ccc2c[nH]nc2c1 ZINC000085363684 179034640 /nfs/dbraw/zinc/03/46/40/179034640.db2.gz ZNCNEKCVFIPWAM-NEPJUHHUSA-N 1 0 258.325 2.019 10 0 CEAERO CC(=O)Nc1nc(CS[C@H](C)CC[NH3+])cs1 ZINC000085346131 179029089 /nfs/dbraw/zinc/02/90/89/179029089.db2.gz OWQVSCMYOFZMLX-SSDOTTSWSA-N 1 0 259.400 2.072 10 0 CEAERO CN(CCOc1ccccc1)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085366468 179036911 /nfs/dbraw/zinc/03/69/11/179036911.db2.gz AYAFAZWADIGYKH-LSDHHAIUSA-N 1 0 276.380 2.041 10 0 CEAERO C[C@H](c1ccc(F)cc1)N(C)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085367526 179037646 /nfs/dbraw/zinc/03/76/46/179037646.db2.gz CPTVYVBEOPVDOX-SWHYSGLUSA-N 1 0 264.344 2.473 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000085368928 179038687 /nfs/dbraw/zinc/03/86/87/179038687.db2.gz QNCOXPJYYVJEMZ-JYJNAYRXSA-N 1 0 288.391 2.104 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)NCCSc1ccccc1 ZINC000085369580 179039216 /nfs/dbraw/zinc/03/92/16/179039216.db2.gz OJNKNMDALLQNIV-KGLIPLIRSA-N 1 0 278.421 2.412 10 0 CEAERO CCOC(=O)c1ccccc1NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085371204 179041208 /nfs/dbraw/zinc/04/12/08/179041208.db2.gz SWEDCBJFGQJFAY-YPMHNXCESA-N 1 0 290.363 2.319 10 0 CEAERO CC(=O)c1ccc(NC(=O)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000085371785 179041653 /nfs/dbraw/zinc/04/16/53/179041653.db2.gz SOBPJQANONPKFP-UONOGXRCSA-N 1 0 260.337 2.345 10 0 CEAERO COc1ccc(C)cc1CN(C)C(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085371906 179041807 /nfs/dbraw/zinc/04/18/07/179041807.db2.gz ZGSFANMISYHPQN-UONOGXRCSA-N 1 0 276.380 2.089 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000085374543 179043540 /nfs/dbraw/zinc/04/35/40/179043540.db2.gz WBSOIUSIOPCBGD-NEPJUHHUSA-N 1 0 286.297 2.449 10 0 CEAERO CC(C)c1nc2cc(NC(=O)[C@@H]3CC[NH2+]C3)ccc2o1 ZINC000062113985 362707532 /nfs/dbraw/zinc/70/75/32/362707532.db2.gz JPYNRHZDNZTYFA-SNVBAGLBSA-N 1 0 273.336 2.499 10 0 CEAERO CN(C(=O)[C@H]1CC[NH2+]C1)[C@H]1CCCc2ccccc21 ZINC000062114560 362707947 /nfs/dbraw/zinc/70/79/47/362707947.db2.gz UWKMDCZZPFBICQ-ZFWWWQNUSA-N 1 0 258.365 2.132 10 0 CEAERO COC(C[NH2+][C@@H]1C[C@@H](OCC(C)C)C1(C)C)OC ZINC000085400640 179051541 /nfs/dbraw/zinc/05/15/41/179051541.db2.gz LSWXZYMAQHSPIQ-VXGBXAGGSA-N 1 0 259.390 2.035 10 0 CEAERO O=C(Nc1cc(Br)ccc1F)[C@H]1CC[NH2+]C1 ZINC000062112896 362707198 /nfs/dbraw/zinc/70/71/98/362707198.db2.gz DJLRVARZPZCXHP-ZETCQYMHSA-N 1 0 287.132 2.136 10 0 CEAERO [NH3+]Cc1cccc(Oc2ncncc2Br)c1 ZINC000085467702 179072775 /nfs/dbraw/zinc/07/27/75/179072775.db2.gz LFSNRYGAZVNCDI-UHFFFAOYSA-N 1 0 280.125 2.490 10 0 CEAERO COCCC[N@@H+]1C[C@@H](C(C)C)NCC12CCCC2 ZINC000085468311 179073269 /nfs/dbraw/zinc/07/32/69/179073269.db2.gz 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/nfs/dbraw/zinc/68/99/70/185689970.db2.gz SELKSYKXZMXUJP-GFCCVEGCSA-N 1 0 250.342 2.194 10 0 CEAERO CC(C)C[C@H]1CNC(C)(C)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085470495 179075505 /nfs/dbraw/zinc/07/55/05/179075505.db2.gz MOJPZJXWEGIEID-KBPBESRZSA-N 1 0 254.418 2.121 10 0 CEAERO CCC1(CC)CNC(C)(C)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085471390 179076378 /nfs/dbraw/zinc/07/63/78/179076378.db2.gz OLTSHBYUJRLJSZ-ZDUSSCGKSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1cnn(CC)c1 ZINC000085510615 179085292 /nfs/dbraw/zinc/08/52/92/179085292.db2.gz VHOXYXYDWSEXDK-JKSUJKDBSA-N 1 0 276.428 2.256 10 0 CEAERO CC[C@H]1C[NH2+][C@](C)(C2CC2)CN1CCOCC(F)(F)F ZINC000085510097 179085596 /nfs/dbraw/zinc/08/55/96/179085596.db2.gz IRCJXLOGCBXOTG-STQMWFEESA-N 1 0 294.361 2.418 10 0 CEAERO CC[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1cccc(OC)n1 ZINC000085510463 179085952 /nfs/dbraw/zinc/08/59/52/179085952.db2.gz DOOLISJYKQBBRO-NVXWUHKLSA-N 1 0 289.423 2.443 10 0 CEAERO CC[C@H](C)[C@H]1CN[C@@](C)(C2CC2)C[N@@H+]1CCOC ZINC000085512947 179086666 /nfs/dbraw/zinc/08/66/66/179086666.db2.gz LYYYWQIWUDRRSJ-NWANDNLSSA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@@]1(C)CN[C@@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085515326 179086817 /nfs/dbraw/zinc/08/68/17/179086817.db2.gz JFXMTURUUYVSER-CWRNSKLLSA-N 1 0 266.429 2.266 10 0 CEAERO CC[C@]1(C)C[NH2+][C@@](C)(C2CC2)CN1Cc1ncccn1 ZINC000085515036 179087041 /nfs/dbraw/zinc/08/70/41/179087041.db2.gz RHWWFOJNSZRLOR-HZPDHXFCSA-N 1 0 274.412 2.219 10 0 CEAERO CCC1(CC)CN(CCn2cccn2)[C@H](C(C)C)C[NH2+]1 ZINC000085518171 179087606 /nfs/dbraw/zinc/08/76/06/179087606.db2.gz QVPXDKOMUPMEGC-HNNXBMFYSA-N 1 0 278.444 2.372 10 0 CEAERO COCC[N@@H+]1C[C@@](C)(C2CC2)NCC12CCCC2 ZINC000085515875 179087850 /nfs/dbraw/zinc/08/78/50/179087850.db2.gz JHGCRZWZMPZYNG-AWEZNQCLSA-N 1 0 252.402 2.020 10 0 CEAERO Cn1cc(CN2C[C@](C)(C3CC3)[NH2+]C[C@@]2(C)C2CC2)cn1 ZINC000085516472 179087893 /nfs/dbraw/zinc/08/78/93/179087893.db2.gz AYVURHCYJKYLCW-SJORKVTESA-N 1 0 288.439 2.163 10 0 CEAERO CC[C@@H](C)[C@@H]1C[N@H+](C[C@@H]2CCOC2)C(C)(C)CN1 ZINC000085493063 179082268 /nfs/dbraw/zinc/08/22/68/179082268.db2.gz VUYMROMTNSNCHG-RDBSUJKOSA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@H]1C[NH2+][C@@](C)(CC)CN1Cc1cnn(CC)c1 ZINC000085494669 179082554 /nfs/dbraw/zinc/08/25/54/179082554.db2.gz UOSRYOZGKZAJCH-GJZGRUSLSA-N 1 0 264.417 2.256 10 0 CEAERO CC[C@H]1CNC2(CCCC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085497845 179083676 /nfs/dbraw/zinc/08/36/76/179083676.db2.gz NKNWUTSISQTEGO-KBPBESRZSA-N 1 0 252.402 2.020 10 0 CEAERO CC(C)[C@H]1CN[C@@H](c2ccccc2)C[N@@H+]1[C@@H]1CCOC1 ZINC000085506264 179084255 /nfs/dbraw/zinc/08/42/55/179084255.db2.gz PLSRNSHIYRTPEE-BRWVUGGUSA-N 1 0 274.408 2.446 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](c2ccccc2)CN1Cc1ncccn1 ZINC000085505236 179084591 /nfs/dbraw/zinc/08/45/91/179084591.db2.gz XNIYCOAWKJYXFR-HZPDHXFCSA-N 1 0 282.391 2.402 10 0 CEAERO CC1(C)C[NH2+]C2(CCCCC2)CN1[C@@H]1CCOC1 ZINC000085503471 179084653 /nfs/dbraw/zinc/08/46/53/179084653.db2.gz AZLUCTJJJXHLSM-CYBMUJFWSA-N 1 0 252.402 2.162 10 0 CEAERO COc1ccc(-n2c(C)nc3c2CC[NH2+]C3)cc1C ZINC000085572488 179097485 /nfs/dbraw/zinc/09/74/85/179097485.db2.gz XGVZYJYAYFEVQE-UHFFFAOYSA-N 1 0 257.337 2.143 10 0 CEAERO CC(C)[C@H]1C[NH2+][C@H](C2CC2)CN1Cc1ccncc1 ZINC000085524716 179088825 /nfs/dbraw/zinc/08/88/25/179088825.db2.gz PKYUJCOSIKVYPL-JKSUJKDBSA-N 1 0 259.397 2.290 10 0 CEAERO Cc1nccn1CCN1C[C@@H](C2CC2)[NH2+]C[C@@H]1CC(C)C ZINC000085525765 179089572 /nfs/dbraw/zinc/08/95/72/179089572.db2.gz ARAOPLOYGNMAEX-IRXDYDNUSA-N 1 0 290.455 2.290 10 0 CEAERO CC(C)[C@H]1C[NH2+][C@@H](C2CC2)CN1Cc1ccncc1 ZINC000085524723 179089823 /nfs/dbraw/zinc/08/98/23/179089823.db2.gz PKYUJCOSIKVYPL-HZPDHXFCSA-N 1 0 259.397 2.290 10 0 CEAERO c1cnc(CN2C[C@@H](C3CC3)[NH2+]CC23CCCCC3)nc1 ZINC000085529257 179090381 /nfs/dbraw/zinc/09/03/81/179090381.db2.gz FBHVBQJKLDBLIB-HNNXBMFYSA-N 1 0 286.423 2.363 10 0 CEAERO CC[C@@]1(C)CN[C@@H](C2CC2)C[N@@H+]1CCCn1ccnc1 ZINC000085528187 179090697 /nfs/dbraw/zinc/09/06/97/179090697.db2.gz NWEAVQMYAXQLIE-CVEARBPZSA-N 1 0 276.428 2.126 10 0 CEAERO CSCc1ccc(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000602594931 347093452 /nfs/dbraw/zinc/09/34/52/347093452.db2.gz SQZBVYNOYKNBCP-FZMZJTMJSA-N 1 0 278.421 2.216 10 0 CEAERO C([C@@H]1CCOC1)[N@@H+]1C[C@@H](C2CC2)NCC12CCCCC2 ZINC000085529298 179091216 /nfs/dbraw/zinc/09/12/16/179091216.db2.gz AVEKUVZZOBNIMA-HOCLYGCPSA-N 1 0 278.440 2.410 10 0 CEAERO Cc1nccn1CCN1C[C@@H](C2CC2)[NH2+]C[C@@]1(C)C1CC1 ZINC000085529401 179091508 /nfs/dbraw/zinc/09/15/08/179091508.db2.gz QDWNIWPZFLYPTC-IRXDYDNUSA-N 1 0 288.439 2.044 10 0 CEAERO COc1ccc(C)cc1-n1c(C)nc2c1CC[NH2+]C2 ZINC000085568856 179095123 /nfs/dbraw/zinc/09/51/23/179095123.db2.gz DRHJEVGECRULJH-UHFFFAOYSA-N 1 0 257.337 2.143 10 0 CEAERO CCc1nc2c(n1[C@H]1COc3ccccc31)CC[NH2+]C2 ZINC000085572056 179097433 /nfs/dbraw/zinc/09/74/33/179097433.db2.gz OFNYLDNYALVSDI-AWEZNQCLSA-N 1 0 269.348 2.073 10 0 CEAERO C[C@@H](Cn1ccnc1)n1c2c(nc1C(C)(C)C)C[NH2+]CC2 ZINC000085573547 179099131 /nfs/dbraw/zinc/09/91/31/179099131.db2.gz VCRWRBBPSGUIFR-LBPRGKRZSA-N 1 0 287.411 2.284 10 0 CEAERO CCCc1nc2c(n1[C@@H](CCC)COC)CC[NH2+]C2 ZINC000085574725 179099443 /nfs/dbraw/zinc/09/94/43/179099443.db2.gz FFXSFQZBRBQPKL-LBPRGKRZSA-N 1 0 265.401 2.469 10 0 CEAERO C[C@@H]([NH3+])CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000063171177 362754237 /nfs/dbraw/zinc/75/42/37/362754237.db2.gz PDBUWUQDGZOILD-SSDOTTSWSA-N 1 0 297.207 2.009 10 0 CEAERO CC[C@H](C)[C@@H]1CN(CCOCC(F)(F)F)CCC[NH2+]1 ZINC000085609102 179101996 /nfs/dbraw/zinc/10/19/96/179101996.db2.gz ARAHLUVEVXNLAT-RYUDHWBXSA-N 1 0 282.350 2.275 10 0 CEAERO C[C@H]1CC[NH2+][C@@H](C(C)(C)C)CN1Cc1cnn(C)c1 ZINC000085624768 179107449 /nfs/dbraw/zinc/10/74/49/179107449.db2.gz WZWXVVWBWCFGCJ-GXTWGEPZSA-N 1 0 264.417 2.019 10 0 CEAERO C[C@@H]1CCN[C@](C)(C2CC2)C[N@@H+]1CCCn1ccnc1 ZINC000085623476 179105528 /nfs/dbraw/zinc/10/55/28/179105528.db2.gz FPAGZJLCKZCJSK-ZBFHGGJFSA-N 1 0 276.428 2.126 10 0 CEAERO C[C@@H]1CC[NH2+]C(C)(C)CN1CCOCC(F)(F)F ZINC000085622480 179105876 /nfs/dbraw/zinc/10/58/76/179105876.db2.gz JZHLAHOYOUEWHX-SNVBAGLBSA-N 1 0 268.323 2.028 10 0 CEAERO C[C@H]1CC[NH2+][C@@H](c2ccccc2)CN1Cc1ncccn1 ZINC000085621352 179106113 /nfs/dbraw/zinc/10/61/13/179106113.db2.gz ARQHPFMRLZPNRY-GOEBONIOSA-N 1 0 282.391 2.402 10 0 CEAERO Cc1csc(CC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)n1 ZINC000085638320 179110060 /nfs/dbraw/zinc/11/00/60/179110060.db2.gz NRZPKYXWGZDBSU-UHTWSYAYSA-N 1 0 266.410 2.397 10 0 CEAERO CC1(C)[C@H]([NH2+]CCOC2CCCC2)[C@H]2CCO[C@@H]21 ZINC000085638595 179110142 /nfs/dbraw/zinc/11/01/42/179110142.db2.gz LQFICLKMCZTSGO-MCIONIFRSA-N 1 0 253.386 2.349 10 0 CEAERO CN(C)C(C)(C)C[NH2+][C@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085671149 179111250 /nfs/dbraw/zinc/11/12/50/179111250.db2.gz OWBGVOAHYLTHLZ-AVGNSLFASA-N 1 0 254.418 2.120 10 0 CEAERO CC[C@H]1CO[C@@H](C)CN1c1ccc(F)cc1CC[NH3+] ZINC000104276146 136554090 /nfs/dbraw/zinc/55/40/90/136554090.db2.gz XPBVBYDBAQEXFZ-FZMZJTMJSA-N 1 0 266.360 2.331 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)N2CC[C@H](C[NH+](C)C)C2)o1 ZINC000129343652 365848673 /nfs/dbraw/zinc/84/86/73/365848673.db2.gz VQACJDANKGTJHN-CHWSQXEVSA-N 1 0 279.384 2.242 10 0 CEAERO CCOC(=O)c1cccnc1N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000600962710 346720047 /nfs/dbraw/zinc/72/00/47/346720047.db2.gz KGLGTVXGONMWOF-HAQNSBGRSA-N 1 0 277.368 2.188 10 0 CEAERO CC[C@](C)([C@@H]([NH3+])Cc1ccccc1)N1CCOCC1 ZINC000085750025 179142229 /nfs/dbraw/zinc/14/22/29/179142229.db2.gz WTKNNLRUDVBGLK-JKSUJKDBSA-N 1 0 262.397 2.057 10 0 CEAERO CCn1c2ccc(Cl)cc2nc1[C@]1([NH3+])CCOC1 ZINC000085849585 179187194 /nfs/dbraw/zinc/18/71/94/179187194.db2.gz PYBKOWLRMDHYNY-ZDUSSCGKSA-N 1 0 265.744 2.284 10 0 CEAERO CCCn1c2cccc(F)c2nc1[C@]1([NH3+])CCOC1 ZINC000085849685 179187492 /nfs/dbraw/zinc/18/74/92/179187492.db2.gz BVQXZQJICBCGQB-AWEZNQCLSA-N 1 0 263.316 2.160 10 0 CEAERO CC(C)n1c2cccc(F)c2nc1[C@]1([NH3+])CCOC1 ZINC000085849708 179187576 /nfs/dbraw/zinc/18/75/76/179187576.db2.gz PLUHSGFTNGQINO-AWEZNQCLSA-N 1 0 263.316 2.331 10 0 CEAERO Cc1cccn2c(C[N@H+]3CC[C@H](c4cnn(C)c4)C3)cnc12 ZINC000128476614 187372850 /nfs/dbraw/zinc/37/28/50/187372850.db2.gz WRINCNZTKSOMEQ-AWEZNQCLSA-N 1 0 295.390 2.366 10 0 CEAERO CC(C)(C)C[C@H](NC(=O)[C@]1([NH3+])CCOC1)c1ccccc1 ZINC000085869957 179192885 /nfs/dbraw/zinc/19/28/85/179192885.db2.gz UJQNOHMOTPMBQE-YOEHRIQHSA-N 1 0 290.407 2.398 10 0 CEAERO CC(C)[C@@H](NC(=O)[C@@]1([NH3+])CCOC1)c1ccc(Cl)cc1 ZINC000085871332 179193443 /nfs/dbraw/zinc/19/34/43/179193443.db2.gz OUUZAXJDTHGVSE-UKRRQHHQSA-N 1 0 296.798 2.271 10 0 CEAERO [NH3+]CC[C@@]1(O)CCc2cc(Br)ccc2C1 ZINC000085902294 179196382 /nfs/dbraw/zinc/19/63/82/179196382.db2.gz JOLXCLXAMISHGX-LBPRGKRZSA-N 1 0 270.170 2.018 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1CNC(=O)CCc1ccccc1 ZINC000085965314 179205289 /nfs/dbraw/zinc/20/52/89/179205289.db2.gz QZIXHEQORXLUEL-GJZGRUSLSA-N 1 0 260.381 2.253 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1CNC(=O)CCOc1ccccc1 ZINC000085964517 179205346 /nfs/dbraw/zinc/20/53/46/179205346.db2.gz LXGDAPJKSQNLEC-HIFRSBDPSA-N 1 0 276.380 2.089 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1CNC(=O)c1ccc2ccccc2n1 ZINC000085963748 179205445 /nfs/dbraw/zinc/20/54/45/179205445.db2.gz QTBVHOSHKNSZBB-UONOGXRCSA-N 1 0 283.375 2.482 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1CNC(=O)c1cccc(F)c1 ZINC000085967115 179206223 /nfs/dbraw/zinc/20/62/23/179206223.db2.gz ZQLJLMPWHILOAG-AAEUAGOBSA-N 1 0 250.317 2.073 10 0 CEAERO CCC(C)(C)c1ccc(O[C@H](CO)[C@H](C)[NH3+])cc1 ZINC000085919399 179199376 /nfs/dbraw/zinc/19/93/76/179199376.db2.gz XEIKYSDGVNUREE-SMDDNHRTSA-N 1 0 251.370 2.461 10 0 CEAERO Nc1ccc(SC[C@@H]2C[NH2+]CCO2)cc1Cl ZINC000085938200 179202878 /nfs/dbraw/zinc/20/28/78/179202878.db2.gz YUJWQLYTFQBSJY-QMMMGPOBSA-N 1 0 258.774 2.003 10 0 CEAERO COC(=O)c1ccccc1C[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000085977775 179208777 /nfs/dbraw/zinc/20/87/77/179208777.db2.gz XLPXFQIIALMVGH-DZGCQCFKSA-N 1 0 277.364 2.114 10 0 CEAERO O[C@@H]1CCCC[C@@H]1C[NH2+]CCCOCC(F)(F)F ZINC000085985612 179211480 /nfs/dbraw/zinc/21/14/80/179211480.db2.gz LTXFNDYPCUNNBL-GHMZBOCLSA-N 1 0 269.307 2.096 10 0 CEAERO [NH3+][C@@H](CCC(=O)NC[C@H]1CCCC[C@@H]1O)c1ccccc1 ZINC000085987050 179212279 /nfs/dbraw/zinc/21/22/79/179212279.db2.gz BIXRALDNYXSIER-PMPSAXMXSA-N 1 0 290.407 2.134 10 0 CEAERO C[C@H](O)CC[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000085990756 179213683 /nfs/dbraw/zinc/21/36/83/179213683.db2.gz JZEXKJVYICRSQN-BLLLJJGKSA-N 1 0 259.349 2.234 10 0 CEAERO CC[NH2+][C@@H]1CC[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1C ZINC000086040251 179222449 /nfs/dbraw/zinc/22/24/49/179222449.db2.gz CJZNNBKTLCAGLW-MRVWCRGKSA-N 1 0 267.394 2.237 10 0 CEAERO CC[NH2+][C@H]1CC[C@H](S(=O)(=O)CC2CCCC2)[C@@H]1C ZINC000086042126 179222786 /nfs/dbraw/zinc/22/27/86/179222786.db2.gz DPPOLFAMJRXWKK-XBFCOCLRSA-N 1 0 273.442 2.368 10 0 CEAERO C[C@@H]1CC[C@H]([NH2+]Cc2cnc(N(C)C)n2C)[C@@H]1C ZINC000086073608 179225266 /nfs/dbraw/zinc/22/52/66/179225266.db2.gz VRDNWMCIPCIXQZ-WZRBSPASSA-N 1 0 250.390 2.010 10 0 CEAERO C[C@@H]1CC[C@@H]([NH2+]CC(=O)N2CCCCCC2)[C@@H]1C ZINC000086077844 179226081 /nfs/dbraw/zinc/22/60/81/179226081.db2.gz BANZTYWBNYZFEF-MGPQQGTHSA-N 1 0 252.402 2.413 10 0 CEAERO CCC[NH2+][C@H](Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000086025871 179219606 /nfs/dbraw/zinc/21/96/06/179219606.db2.gz SONTXSBLLBUCHH-DGCLKSJQSA-N 1 0 287.450 2.094 10 0 CEAERO Nc1cc[nH+]cc1C[C@H](O)c1ccc(Cl)cc1N ZINC000086112259 179233583 /nfs/dbraw/zinc/23/35/83/179233583.db2.gz PICXPUFIGJGANT-ZDUSSCGKSA-N 1 0 263.728 2.176 10 0 CEAERO CC[C@](C[NH3+])(C1CC1)N(C)Cc1scnc1C ZINC000086120829 179234556 /nfs/dbraw/zinc/23/45/56/179234556.db2.gz XHZZUIXMIBKHGN-ZDUSSCGKSA-N 1 0 253.415 2.401 10 0 CEAERO Cc1cc2ccccc2n1CC[NH2+][C@@H](C)Cn1cncn1 ZINC000065508064 362828980 /nfs/dbraw/zinc/82/89/80/362828980.db2.gz LULNBIXKIOJJJH-ZDUSSCGKSA-N 1 0 283.379 2.220 10 0 CEAERO CC[C@@]1(C)CN(CCc2ccc(OC)cc2)CC[NH2+]1 ZINC000086122939 179236115 /nfs/dbraw/zinc/23/61/15/179236115.db2.gz ZVEIPALQHXYOBU-INIZCTEOSA-N 1 0 262.397 2.312 10 0 CEAERO Nc1cc[nH+]c(COc2cncc(Br)c2)c1 ZINC000086134987 179236675 /nfs/dbraw/zinc/23/66/75/179236675.db2.gz MESNCBMGXYJJIL-UHFFFAOYSA-N 1 0 280.125 2.400 10 0 CEAERO Cc1nc(CN2CC[NH2+][C@@H](Cc3ccccc3)C2)cs1 ZINC000086144266 179237536 /nfs/dbraw/zinc/23/75/36/179237536.db2.gz KODGMXPHRBPELC-HNNXBMFYSA-N 1 0 287.432 2.468 10 0 CEAERO C[C@@H]1CC[C@@H](NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])[C@@H]1C ZINC000086082258 179228162 /nfs/dbraw/zinc/22/81/62/179228162.db2.gz IUASWUYLKIRQTH-PEBLQZBPSA-N 1 0 252.402 2.445 10 0 CEAERO CC[C@@H]1CC[C@@H](NC(=O)c2cnn(CCC[NH3+])c2C)[C@@H]1C ZINC000086082832 179228165 /nfs/dbraw/zinc/22/81/65/179228165.db2.gz VZJRCLGWEMKOKB-UXIGCNINSA-N 1 0 292.427 2.095 10 0 CEAERO C[C@H]1[C@H](NC(=O)CC2CCC([NH3+])CC2)CC[C@@H]1C ZINC000086082263 179228499 /nfs/dbraw/zinc/22/84/99/179228499.db2.gz DZXUFRAUCHROCY-GMZKHCIJSA-N 1 0 252.402 2.445 10 0 CEAERO CC[C@@H]1CC[C@@H](NC(=O)c2ccc(C[NH3+])cn2)[C@@H]1C ZINC000086082852 179228553 /nfs/dbraw/zinc/22/85/53/179228553.db2.gz MDOYOBDOFJHJSY-RAIGVLPGSA-N 1 0 261.369 2.095 10 0 CEAERO CC[C@H]1CC[C@H](NS(=O)(=O)c2ccccc2C[NH3+])[C@@H]1C ZINC000086091439 179229096 /nfs/dbraw/zinc/22/90/96/179229096.db2.gz YYXOKMFHMQNMGB-DYEKYZERSA-N 1 0 296.436 2.248 10 0 CEAERO C[C@@H]1CN[C@@H](Cc2ccccc2)C[N@@H+]1C1CCOCC1 ZINC000086154448 179241710 /nfs/dbraw/zinc/24/17/10/179241710.db2.gz GLLAMSONOWUOCN-ZBFHGGJFSA-N 1 0 274.408 2.070 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@@H](C)CN1[C@@H]1COc2ccccc21 ZINC000086176289 179247272 /nfs/dbraw/zinc/24/72/72/179247272.db2.gz PZCGTFCVPDDUNZ-AEGPPILISA-N 1 0 260.381 2.438 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1CCc1cccnc1 ZINC000086171875 179243879 /nfs/dbraw/zinc/24/38/79/179243879.db2.gz FPJANBHHRRPACN-HZPDHXFCSA-N 1 0 261.413 2.333 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C(C)C)CN1Cc1cc(C)on1 ZINC000086173887 179244912 /nfs/dbraw/zinc/24/49/12/179244912.db2.gz APTFYSLNTKKCIN-KGLIPLIRSA-N 1 0 251.374 2.191 10 0 CEAERO Cc1ncc(CN2C[C@H](C(C)C)[NH2+]C[C@@H]2C)s1 ZINC000086173013 179245065 /nfs/dbraw/zinc/24/50/65/179245065.db2.gz NWJMIYTVTOYOQU-GXFFZTMASA-N 1 0 253.415 2.270 10 0 CEAERO Cc1nccc(CN2C[C@H](C)[NH2+]C[C@@H]2c2ccccc2)n1 ZINC000086174013 179245996 /nfs/dbraw/zinc/24/59/96/179245996.db2.gz LAMDYMQAWMKKDO-SUMWQHHRSA-N 1 0 282.391 2.320 10 0 CEAERO CC[C@H]1CNC2(CCCCC2)C[N@@H+]1[C@@H](C)COC ZINC000086179961 179246895 /nfs/dbraw/zinc/24/68/95/179246895.db2.gz KIQXXLWJRUAZIA-KBPBESRZSA-N 1 0 254.418 2.408 10 0 CEAERO COC[C@@H](C)N1CC(C)(C)[NH2+]C[C@@H]1c1ccccc1 ZINC000086179880 179246961 /nfs/dbraw/zinc/24/69/61/179246961.db2.gz HUQORAVSAULMOV-UKRRQHHQSA-N 1 0 262.397 2.446 10 0 CEAERO COC[C@@H](C)C[N@@H+]1CCN[C@@](C)(c2ccccc2)C1 ZINC000086146664 179239192 /nfs/dbraw/zinc/23/91/92/179239192.db2.gz QFOULQHNZAKXQC-GOEBONIOSA-N 1 0 262.397 2.090 10 0 CEAERO CC(C)C[C@H]1CN(Cc2ccc3c(c2)OCO3)CC[NH2+]1 ZINC000086148245 179239528 /nfs/dbraw/zinc/23/95/28/179239528.db2.gz CHJUDLWAGRLCSS-AWEZNQCLSA-N 1 0 276.380 2.235 10 0 CEAERO Cc1ncsc1CN1CC[NH2+]C2(CCCC2)C1 ZINC000086149016 179239569 /nfs/dbraw/zinc/23/95/69/179239569.db2.gz ISBMSSDLJIXYSO-UHFFFAOYSA-N 1 0 251.399 2.170 10 0 CEAERO CO[C@H]1CCC[C@H]1[N@@H+]1CCNC2(CCCCC2)C1 ZINC000086146816 179239755 /nfs/dbraw/zinc/23/97/55/179239755.db2.gz PWGWUGXPHLGDDB-KGLIPLIRSA-N 1 0 252.402 2.162 10 0 CEAERO C[C@@H]1C[NH2+][C@](C)(c2ccccc2)CN1c1cnn(C)c1 ZINC000086218348 179249235 /nfs/dbraw/zinc/24/92/35/179249235.db2.gz UJQNATZDBLNZIW-CJNGLKHVSA-N 1 0 270.380 2.134 10 0 CEAERO CC(C)[C@H]1C[NH2+]C2(CCCC2)CN1c1cnn(C)c1 ZINC000086218379 179249783 /nfs/dbraw/zinc/24/97/83/179249783.db2.gz JIFXPJBJBDFLRM-CQSZACIVSA-N 1 0 262.401 2.167 10 0 CEAERO CC[C@@H]1C[NH2+][C@](C)(CC)CN1CCc1cccnc1 ZINC000086223236 179252198 /nfs/dbraw/zinc/25/21/98/179252198.db2.gz DELDSZGGIYSLIO-HZPDHXFCSA-N 1 0 261.413 2.477 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C(C)(C)C)CN1c1cnn(CCOC)c1 ZINC000086227219 179254678 /nfs/dbraw/zinc/25/46/78/179254678.db2.gz PUKVKIHWKOYUJA-ZFWWWQNUSA-N 1 0 294.443 2.132 10 0 CEAERO CCOC[C@H](C)[N@@H+]1C[C@@](C)(C2CC2)NC[C@@H]1CC ZINC000086259690 179259153 /nfs/dbraw/zinc/25/91/53/179259153.db2.gz ZCKCBFPZBLYOML-QEJZJMRPSA-N 1 0 254.418 2.264 10 0 CEAERO CC[C@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1cnc(C)cn1 ZINC000086263056 179259965 /nfs/dbraw/zinc/25/99/65/179259965.db2.gz YILAOMKXRMCSQS-HOTGVXAUSA-N 1 0 274.412 2.138 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](c2ccccc2)CN1Cc1nccn1C ZINC000086264844 179260817 /nfs/dbraw/zinc/26/08/17/179260817.db2.gz DKCDAJMDKZQBFE-JKSUJKDBSA-N 1 0 284.407 2.345 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C2CC2)CN1c1cnn(C(C)C)c1 ZINC000086263480 179260971 /nfs/dbraw/zinc/26/09/71/179260971.db2.gz QGVZCNXDGBIERF-ZFWWWQNUSA-N 1 0 262.401 2.431 10 0 CEAERO C[NH+](C)[C@H]1CCCN(c2nc(Br)cs2)C1 ZINC000086291394 179265489 /nfs/dbraw/zinc/26/54/89/179265489.db2.gz CGLRIFWRGXYJEA-QMMMGPOBSA-N 1 0 290.230 2.436 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](CC(C)C)CN1Cc1nccn1C ZINC000086264879 179261328 /nfs/dbraw/zinc/26/13/28/179261328.db2.gz HUULTARFJNKPAN-ZIAGYGMSSA-N 1 0 264.417 2.019 10 0 CEAERO CC[C@@H](COC)[N@@H+]1C[C@](C)(C2CC2)NC[C@@H]1CC ZINC000086267442 179261918 /nfs/dbraw/zinc/26/19/18/179261918.db2.gz WWMHPSXVHFNYEE-SOUVJXGZSA-N 1 0 254.418 2.264 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C2CC2)CN1Cc1cscn1 ZINC000086265454 179262220 /nfs/dbraw/zinc/26/22/20/179262220.db2.gz QRPLBVQKWWQTJJ-QWHCGFSZSA-N 1 0 251.399 2.106 10 0 CEAERO C[NH+]1CCC(Nc2nc(Br)cs2)CC1 ZINC000086278775 179262725 /nfs/dbraw/zinc/26/27/25/179262725.db2.gz KYCAVXFGPKJWBD-UHFFFAOYSA-N 1 0 276.203 2.412 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(c2cnn(CC)c2)CCC[NH2+]1 ZINC000086287182 179264209 /nfs/dbraw/zinc/26/42/09/179264209.db2.gz VAOOUMXCYDTVFR-OCCSQVGLSA-N 1 0 250.390 2.117 10 0 CEAERO CC[C@@H]1CN[C@@](C)(CC)C[N@@H+]1CC[C@@H]1CCCO1 ZINC000086258842 179256564 /nfs/dbraw/zinc/25/65/64/179256564.db2.gz XEMJHPLGWONFPH-ILXRZTDVSA-N 1 0 254.418 2.408 10 0 CEAERO CC(C)[C@H]([NH3+])CNc1nc(Br)cs1 ZINC000086290946 179265584 /nfs/dbraw/zinc/26/55/84/179265584.db2.gz LEGPKBSXXAZXNV-ZCFIWIBFSA-N 1 0 264.192 2.301 10 0 CEAERO C[C@H]1CN(c2nc(Br)cs2)[C@@H](C)C[NH2+]1 ZINC000086290974 179265817 /nfs/dbraw/zinc/26/58/17/179265817.db2.gz ZKLFFAIXXXYOFR-BQBZGAKWSA-N 1 0 276.203 2.092 10 0 CEAERO Cc1cc(CN2CCC[NH2+]C3(CCCCC3)C2)no1 ZINC000086292073 179266474 /nfs/dbraw/zinc/26/64/74/179266474.db2.gz MIDACONHPIUSLP-UHFFFAOYSA-N 1 0 263.385 2.481 10 0 CEAERO Cc1cc(CN2CCC[NH2+][C@@H](CC(C)C)C2)on1 ZINC000086292729 179266947 /nfs/dbraw/zinc/26/69/47/179266947.db2.gz IIMOTOUTHSDULN-ZDUSSCGKSA-N 1 0 251.374 2.193 10 0 CEAERO CC(C)(C)[C@H]1CN(Cc2cscn2)CCC[NH2+]1 ZINC000086297852 179267494 /nfs/dbraw/zinc/26/74/94/179267494.db2.gz NCVVTRDZPHZZCQ-GFCCVEGCSA-N 1 0 253.415 2.353 10 0 CEAERO c1ccc([C@@H]2C[N@H+]([C@@H]3CCCOC3)CCCN2)cc1 ZINC000086297631 179267679 /nfs/dbraw/zinc/26/76/79/179267679.db2.gz HDFCNCXWJCYZTA-CVEARBPZSA-N 1 0 260.381 2.202 10 0 CEAERO CCC1(CC)CN(Cc2cscn2)CCC[NH2+]1 ZINC000086297874 179267738 /nfs/dbraw/zinc/26/77/38/179267738.db2.gz OGVOENSIZZIICE-UHFFFAOYSA-N 1 0 253.415 2.497 10 0 CEAERO CCC[C@@H]1CN(CCc2nccs2)CCC[NH2+]1 ZINC000086296839 179267782 /nfs/dbraw/zinc/26/77/82/179267782.db2.gz KBCGYRPYFWGGFS-GFCCVEGCSA-N 1 0 253.415 2.150 10 0 CEAERO Cc1csc(CCN2CCC[NH2+]C(C)(C)C2)n1 ZINC000086296741 179268212 /nfs/dbraw/zinc/26/82/12/179268212.db2.gz PWSBPHUKQDFCQE-UHFFFAOYSA-N 1 0 253.415 2.068 10 0 CEAERO CSC[C@@H](C)C[N@@H+]1CCCN[C@@](C)(C2CC2)C1 ZINC000086298542 179268911 /nfs/dbraw/zinc/26/89/11/179268911.db2.gz HGPGXELTGTXERP-GXTWGEPZSA-N 1 0 256.459 2.450 10 0 CEAERO [NH3+]CCN1C(=O)S/C(=C/c2ccc3ccccc3n2)C1=O ZINC000086317270 179269497 /nfs/dbraw/zinc/26/94/97/179269497.db2.gz ZYNPEMRVTQAQBF-UKTHLTGXSA-N 1 0 299.355 2.230 10 0 CEAERO C[C@]1([NH2+]Cc2cc(Cl)cs2)CCS(=O)(=O)C1 ZINC000086332386 179273213 /nfs/dbraw/zinc/27/32/13/179273213.db2.gz OGBGNDDWYYUYSX-JTQLQIEISA-N 1 0 279.814 2.068 10 0 CEAERO COC1CCN(c2nc3c(s2)CCC[C@@H]3[NH3+])CC1 ZINC000086442647 179293963 /nfs/dbraw/zinc/29/39/63/179293963.db2.gz IWKCDMJSQRDENJ-JTQLQIEISA-N 1 0 267.398 2.094 10 0 CEAERO CC[C@@H]1CN(C(=O)c2ccccc2F)[C@@H](CC)C[NH2+]1 ZINC000086447265 179295709 /nfs/dbraw/zinc/29/57/09/179295709.db2.gz IABHTNPBBFOBCN-NEPJUHHUSA-N 1 0 264.344 2.428 10 0 CEAERO CCN(C(=O)CN1C[C@@H](C)[NH2+]C[C@@H]1C)c1ccccc1C ZINC000086470895 179300775 /nfs/dbraw/zinc/30/07/75/179300775.db2.gz VPAIQXIUSQJDKS-CABCVRRESA-N 1 0 289.423 2.030 10 0 CEAERO CC(C)[NH2+]CCc1nc([C@@H]2Cc3ccccc32)no1 ZINC000086486550 179301481 /nfs/dbraw/zinc/30/14/81/179301481.db2.gz OSQCVYMKNIINAG-CYBMUJFWSA-N 1 0 257.337 2.298 10 0 CEAERO CCc1nc([C@H]2Cc3ccccc32)[nH+]c(NN)c1C ZINC000086490655 179302336 /nfs/dbraw/zinc/30/23/36/179302336.db2.gz MXMPKMVPZNNHHT-LBPRGKRZSA-N 1 0 254.337 2.321 10 0 CEAERO CC[C@H]1CN(CCc2scnc2C)[C@@H](CC)C[NH2+]1 ZINC000086465535 179297031 /nfs/dbraw/zinc/29/70/31/179297031.db2.gz RCEGINXVDZPSJW-STQMWFEESA-N 1 0 267.442 2.456 10 0 CEAERO CCCn1cc(Cl)cc1C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000086467725 179297621 /nfs/dbraw/zinc/29/76/21/179297621.db2.gz VWSKIZRLTYMNTR-GHMZBOCLSA-N 1 0 283.803 2.374 10 0 CEAERO CCC[NH2+]CC1(S(C)(=O)=O)CC2(C1)CCCC2 ZINC000086523436 179306048 /nfs/dbraw/zinc/30/60/48/179306048.db2.gz VNAKAJFMRBLZHF-UHFFFAOYSA-N 1 0 259.415 2.124 10 0 CEAERO [NH3+][C@@H]1CCCN(c2cscc2Br)C1 ZINC000086556323 179307870 /nfs/dbraw/zinc/30/78/70/179307870.db2.gz AQAXATJUVLEUHY-SSDOTTSWSA-N 1 0 261.188 2.438 10 0 CEAERO CO[C@H](C)[C@@H]([NH3+])Cc1sccc1Br ZINC000086575832 179308622 /nfs/dbraw/zinc/30/86/22/179308622.db2.gz UOOOTHRVOSBPDK-SVRRBLITSA-N 1 0 264.188 2.415 10 0 CEAERO C[NH2+]Cc1nc2cc(F)c(Br)cc2[nH]1 ZINC000086598509 179311096 /nfs/dbraw/zinc/31/10/96/179311096.db2.gz PLQRPZLXHCEUCJ-UHFFFAOYSA-N 1 0 258.094 2.184 10 0 CEAERO CCOC(=O)[C@@](C)([NH3+])CCSc1nc(C)c(C)c(C)n1 ZINC000086644641 179315970 /nfs/dbraw/zinc/31/59/70/179315970.db2.gz QLFAIKWYVBAWLA-AWEZNQCLSA-N 1 0 297.424 2.165 10 0 CEAERO C[NH2+][C@@]1(CO)CC[C@H](Sc2nc(C)cs2)C1 ZINC000086636053 179314944 /nfs/dbraw/zinc/31/49/44/179314944.db2.gz SXKPZNLTHWQVLW-ONGXEEELSA-N 1 0 258.412 2.047 10 0 CEAERO CCCn1c(CCOCC)nc2cc(C[NH3+])ccc21 ZINC000086641336 179315137 /nfs/dbraw/zinc/31/51/37/179315137.db2.gz RIBWDNQESRZBJQ-UHFFFAOYSA-N 1 0 261.369 2.484 10 0 CEAERO CC(C)(C)n1c2ccc(C[NH3+])cc2nc1[C@H]1COCCO1 ZINC000086641995 179315229 /nfs/dbraw/zinc/31/52/29/179315229.db2.gz IWCXMMARPFENFV-CQSZACIVSA-N 1 0 289.379 2.338 10 0 CEAERO CCC(CC)(CC)n1nnnc1C[NH2+]C(C)(C)C ZINC000086643604 179315719 /nfs/dbraw/zinc/31/57/19/179315719.db2.gz VRYNDADWTAUAQN-UHFFFAOYSA-N 1 0 253.394 2.487 10 0 CEAERO Cc1nc(S[C@H](c2cnn(C)c2)[C@@H](C)[NH3+])nc(C)c1C ZINC000086643635 179315760 /nfs/dbraw/zinc/31/57/60/179315760.db2.gz WMVXTWYHVJPQNN-RNCFNFMXSA-N 1 0 291.424 2.316 10 0 CEAERO COC[C@H](Nc1[nH+]c(C)cc(C)c1C(N)=S)C(C)C ZINC000086701758 179321247 /nfs/dbraw/zinc/32/12/47/179321247.db2.gz CEWOKRBKHYMBON-NSHDSACASA-N 1 0 281.425 2.416 10 0 CEAERO COC[C@H](C)[NH2+]CCSc1nc(C)c(C)c(C)n1 ZINC000086645253 179316335 /nfs/dbraw/zinc/31/63/35/179316335.db2.gz CWOIMMAHUKYCSG-VIFPVBQESA-N 1 0 269.414 2.118 10 0 CEAERO C[NH2+][C@@H](CSc1nc(C)c(C)c(C)n1)C1CC1 ZINC000086646491 179316506 /nfs/dbraw/zinc/31/65/06/179316506.db2.gz PTFFVOHDOBWSOF-LBPRGKRZSA-N 1 0 251.399 2.492 10 0 CEAERO CCC[NH2+][C@](C)(CO)CSc1nc(C)c(C)c(C)n1 ZINC000086646879 179316742 /nfs/dbraw/zinc/31/67/42/179316742.db2.gz HKFMONQVWPUSAP-CQSZACIVSA-N 1 0 283.441 2.245 10 0 CEAERO Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2S(C)(=O)=O)cc1 ZINC000086670697 179317252 /nfs/dbraw/zinc/31/72/52/179317252.db2.gz HRDDXSZCZAOLHD-KBPBESRZSA-N 1 0 267.394 2.050 10 0 CEAERO CC[C@H](CC1CC1)[NH2+][C@@H]1CCC[C@@H]1S(C)(=O)=O ZINC000086676134 179319017 /nfs/dbraw/zinc/31/90/17/179319017.db2.gz NDOFWEWEEFKZQR-UPJWGTAASA-N 1 0 259.415 2.120 10 0 CEAERO CCCC1CC[NH+](Cc2c[nH]c(=NN)s2)CC1 ZINC000086767783 179325842 /nfs/dbraw/zinc/32/58/42/179325842.db2.gz SQZFEBXQGSRIOZ-UHFFFAOYSA-N 1 0 254.403 2.441 10 0 CEAERO CC[C@@H](C1CC1)[NH+]1CCC([N@@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000086776218 179328151 /nfs/dbraw/zinc/32/81/51/179328151.db2.gz DETPSNSYKYTQCJ-LSDHHAIUSA-N 1 0 280.412 2.188 10 0 CEAERO CC(C)C[C@@H](C)[NH+]1CCC([N@@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000086776239 179328619 /nfs/dbraw/zinc/32/86/19/179328619.db2.gz IMWIQVRXHLDLLZ-UKRRQHHQSA-N 1 0 282.428 2.434 10 0 CEAERO CCCC1CCC(C[NH3+])(O[C@H](C)C(=O)NC2CC2)CC1 ZINC000086713403 179322929 /nfs/dbraw/zinc/32/29/29/179322929.db2.gz QFDAZRSTMRECJU-VEAWUBTESA-N 1 0 282.428 2.358 10 0 CEAERO CC[C@](C)([NH3+])C(=O)N(C)Cc1ccc(Cl)s1 ZINC000086803389 179336678 /nfs/dbraw/zinc/33/66/78/179336678.db2.gz AXGBDWJMIQWSQE-NSHDSACASA-N 1 0 260.790 2.487 10 0 CEAERO CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000086786676 179333179 /nfs/dbraw/zinc/33/31/79/179333179.db2.gz SHROEXUGEZWSPC-GXTWGEPZSA-N 1 0 268.401 2.094 10 0 CEAERO CCC[NH+]1CCC([NH+]2CCC(CC)(C(=O)[O-])CC2)CC1 ZINC000086788597 179334056 /nfs/dbraw/zinc/33/40/56/179334056.db2.gz SWICFUBQPDCYFX-UHFFFAOYSA-N 1 0 282.428 2.438 10 0 CEAERO CC[N@@H+]1CCC[C@]([NH2+]Cc2ccccc2)(C(=O)[O-])CC1 ZINC000086849883 179357746 /nfs/dbraw/zinc/35/77/46/179357746.db2.gz KPNBCLFKHPKQRZ-MRXNPFEDSA-N 1 0 276.380 2.105 10 0 CEAERO C[N@@H+]1CCC[C@@](CO)(Nc2ccc(F)cc2)CC1 ZINC000086834285 179350028 /nfs/dbraw/zinc/35/00/28/179350028.db2.gz XFUYTKPBZMEFMZ-CQSZACIVSA-N 1 0 252.333 2.084 10 0 CEAERO C[N@@H+]1CCC[C@]([NH2+]C2CCCCCC2)(C(=O)[O-])CC1 ZINC000086833411 179350430 /nfs/dbraw/zinc/35/04/30/179350430.db2.gz OEDPQDYVDLNSMW-OAHLLOKOSA-N 1 0 268.401 2.238 10 0 CEAERO C[N@@H+]1CCC[C@@H]([NH+]2CCc3sccc3[C@@H]2C(=O)[O-])CC1 ZINC000086834620 179350650 /nfs/dbraw/zinc/35/06/50/179350650.db2.gz BXHUZYBBLQOXIU-BXUZGUMPSA-N 1 0 294.420 2.216 10 0 CEAERO CCC[N@@H+]1CCC[C@H](N[C@H](C(=O)OC)[C@@H](C)CC)CC1 ZINC000086839591 179351394 /nfs/dbraw/zinc/35/13/94/179351394.db2.gz CJNHEWQLZLIKLH-KKUMJFAQSA-N 1 0 284.444 2.428 10 0 CEAERO CCC[N@@H+]1CCC[C@@H](NCc2cccc(C(N)=O)c2)CC1 ZINC000086837645 179351599 /nfs/dbraw/zinc/35/15/99/179351599.db2.gz SMHMMYPNOWKXBV-MRXNPFEDSA-N 1 0 289.423 2.140 10 0 CEAERO CCC[N@@H+]1CCC[C@@H](N[C@@H](C)c2nnc3n2CCC3)CC1 ZINC000086840406 179353190 /nfs/dbraw/zinc/35/31/90/179353190.db2.gz XLYTZSAKQHCDFO-UONOGXRCSA-N 1 0 291.443 2.139 10 0 CEAERO CC[N@@H+]1CCC[C@H](Nc2cccc(S(C)(=O)=O)c2)CC1 ZINC000086841129 179353395 /nfs/dbraw/zinc/35/33/95/179353395.db2.gz YLKFGYRVPSXBQP-ZDUSSCGKSA-N 1 0 296.436 2.376 10 0 CEAERO CC(C)C[C@H]([NH2+][C@@H]1CCC[N@@H+](C(C)C)CC1)C(=O)[O-] ZINC000086843281 179353617 /nfs/dbraw/zinc/35/36/17/179353617.db2.gz HSXIBYQEATXGGH-KGLIPLIRSA-N 1 0 270.417 2.338 10 0 CEAERO CC[N@@H+]1CCC[C@](CO)(Nc2ccccc2OC)CC1 ZINC000086868145 179360107 /nfs/dbraw/zinc/36/01/07/179360107.db2.gz GGSKREMYGVGKBJ-INIZCTEOSA-N 1 0 278.396 2.344 10 0 CEAERO CC(C)[N@@H+]1CCC[C@H]([NH+](CCC(=O)[O-])C2CC2)CC1 ZINC000086868721 179361430 /nfs/dbraw/zinc/36/14/30/179361430.db2.gz IOSDLJOABJBHNU-ZDUSSCGKSA-N 1 0 268.401 2.188 10 0 CEAERO CCC[N@@H+]1CCC[C@H]([NH+]2CCC[C@@](C)(C(=O)[O-])C2)CC1 ZINC000086869134 179361648 /nfs/dbraw/zinc/36/16/48/179361648.db2.gz GSVXWWDONUNOLU-GOEBONIOSA-N 1 0 282.428 2.438 10 0 CEAERO CCC[N@@H+]1CCC[C@H]([NH2+]C2CCC(C(=O)[O-])CC2)CC1 ZINC000086868703 179362720 /nfs/dbraw/zinc/36/27/20/179362720.db2.gz QSHGGQUEAYTHSW-SLTAFYQDSA-N 1 0 282.428 2.484 10 0 CEAERO CN(Cc1ccsc1)[C@@]1(C[NH3+])CCCOCC1 ZINC000086874937 179364716 /nfs/dbraw/zinc/36/47/16/179364716.db2.gz WJQQGWSZYKHEBW-ZDUSSCGKSA-N 1 0 254.399 2.078 10 0 CEAERO CC(C)[N@@H+]1CCC[C@@]([NH2+]C2CCCC2)(C(=O)[O-])CC1 ZINC000086850362 179357995 /nfs/dbraw/zinc/35/79/95/179357995.db2.gz DVVWHUXRNZYQKO-HNNXBMFYSA-N 1 0 268.401 2.236 10 0 CEAERO CCCN[C@@]1(C(=O)OCC)CCC[N@H+](CCC)CC1 ZINC000086849845 179358393 /nfs/dbraw/zinc/35/83/93/179358393.db2.gz OXPJLWSZQBVFGM-HNNXBMFYSA-N 1 0 270.417 2.184 10 0 CEAERO CCC[N@@H+]1CCC[C@]([NH2+][C@@H](C)CC)(C(=O)[O-])CC1 ZINC000086850487 179358500 /nfs/dbraw/zinc/35/85/00/179358500.db2.gz KVXJAFQOHBAHQJ-GXTWGEPZSA-N 1 0 256.390 2.094 10 0 CEAERO CC[N@@H+]1CCC[C@](O)(Cc2ccccc2OC)CC1 ZINC000086852251 179359066 /nfs/dbraw/zinc/35/90/66/179359066.db2.gz CWLGXGHKIDISQV-MRXNPFEDSA-N 1 0 263.381 2.475 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH3+])c1ccc(C)cc1 ZINC000086978569 179372408 /nfs/dbraw/zinc/37/24/08/179372408.db2.gz WYUSLKIQMDOLTK-CYBMUJFWSA-N 1 0 255.383 2.210 10 0 CEAERO CCS(=O)(=O)CCC[C@@H](C[NH2+]C1CC1)C(C)C ZINC000086980842 179372907 /nfs/dbraw/zinc/37/29/07/179372907.db2.gz WFVVIXUDRUUAMD-LBPRGKRZSA-N 1 0 261.431 2.226 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH3+])c1nccc2ccccc21 ZINC000086979734 179373323 /nfs/dbraw/zinc/37/33/23/179373323.db2.gz MBVFXXJKOLAKNP-CQSZACIVSA-N 1 0 292.404 2.450 10 0 CEAERO C1C[NH2+][C@H](c2nc([C@H]3CSCCS3)no2)C1 ZINC000086981380 179373343 /nfs/dbraw/zinc/37/33/43/179373343.db2.gz OXYOHLROPKIGPG-JGVFFNPUSA-N 1 0 257.384 2.015 10 0 CEAERO C[C@H]1CCC[C@@](C[NH3+])(N(C)Cc2cnn(C)c2)CC1 ZINC000086891001 179366112 /nfs/dbraw/zinc/36/61/12/179366112.db2.gz ZDGATUOGTVJJNU-DZGCQCFKSA-N 1 0 264.417 2.150 10 0 CEAERO COCCN(CCOC)[C@@]1(C[NH3+])CCCC(C)(C)CC1 ZINC000086911330 179367197 /nfs/dbraw/zinc/36/71/97/179367197.db2.gz MTTZKAKWQYOGBR-INIZCTEOSA-N 1 0 286.460 2.269 10 0 CEAERO C[C@@H]1SCCC[C@@]1(CN)[N@H+](C)[C@@H]1CCSC1 ZINC000086946120 179368100 /nfs/dbraw/zinc/36/81/00/179368100.db2.gz KHZUNRKKJJCQFU-TUAOUCFPSA-N 1 0 260.472 2.037 10 0 CEAERO COCC[NH2+][C@@]1(C(N)=O)CCC[C@@H](C(C)(C)C)CC1 ZINC000086959937 179368428 /nfs/dbraw/zinc/36/84/28/179368428.db2.gz QMFZXGSSHKTQIX-DOMZBBRYSA-N 1 0 270.417 2.073 10 0 CEAERO COCCC[C@@H]([NH3+])Cc1ccn(C2CCCC2)n1 ZINC000086963620 179369608 /nfs/dbraw/zinc/36/96/08/179369608.db2.gz YJVSWADRCKIPRH-GFCCVEGCSA-N 1 0 251.374 2.295 10 0 CEAERO CCC[NH2+][C@@H](CCC)Cc1nc(CCCOC)no1 ZINC000086971934 179370538 /nfs/dbraw/zinc/37/05/38/179370538.db2.gz VYPPKFLEKMBXDT-LBPRGKRZSA-N 1 0 269.389 2.359 10 0 CEAERO CCS(=O)(=O)CCCOc1cccc([C@H](C)[NH2+]C)c1 ZINC000086972846 179371198 /nfs/dbraw/zinc/37/11/98/179371198.db2.gz YLWLUOCFVHQUKE-LBPRGKRZSA-N 1 0 285.409 2.171 10 0 CEAERO CCS(=O)(=O)CCC[C@]1([NH3+])CCc2ccccc2C1 ZINC000086977393 179371902 /nfs/dbraw/zinc/37/19/02/179371902.db2.gz FIQGTOXMOQGKPM-HNNXBMFYSA-N 1 0 281.421 2.088 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]1CCCCC[C@@H]1[NH2+]C ZINC000086976393 179371995 /nfs/dbraw/zinc/37/19/95/179371995.db2.gz WBRYFGCPVMGAGK-STQMWFEESA-N 1 0 261.431 2.370 10 0 CEAERO CCC(O)(CC)C[NH2+]Cc1ccccc1C(=O)OC ZINC000087015364 179380111 /nfs/dbraw/zinc/38/01/11/179380111.db2.gz LRTUJDCCUVXQHE-UHFFFAOYSA-N 1 0 265.353 2.114 10 0 CEAERO C[C@H]([NH2+]CC1(O)CCCCC1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000087018064 179380468 /nfs/dbraw/zinc/38/04/68/179380468.db2.gz JZWPTGWMLYJTIQ-NSHDSACASA-N 1 0 289.379 2.202 10 0 CEAERO CC[C@@](C)(O)C[NH2+]CC(=O)Nc1ccc(Cl)cc1 ZINC000087028089 179382045 /nfs/dbraw/zinc/38/20/45/179382045.db2.gz GKJQZIVPVYRCLL-CYBMUJFWSA-N 1 0 270.760 2.029 10 0 CEAERO CC[C@](C)(O)C[NH2+][C@@H](C)C(=O)Nc1ccc(C)cc1 ZINC000087027806 179381590 /nfs/dbraw/zinc/38/15/90/179381590.db2.gz MLBCDVDRQNRMQA-WFASDCNBSA-N 1 0 264.369 2.073 10 0 CEAERO C[NH2+][C@H](CCc1cccs1)[C@H]1CSCCO1 ZINC000086988596 179374442 /nfs/dbraw/zinc/37/44/42/179374442.db2.gz TXUBNMSDXFKZKJ-VXGBXAGGSA-N 1 0 257.424 2.401 10 0 CEAERO [NH3+][C@@H](Cc1ccc(Cl)cc1)[C@@H]1CSCCO1 ZINC000086987581 179374463 /nfs/dbraw/zinc/37/44/63/179374463.db2.gz LYXHVEPQASTZEK-RYUDHWBXSA-N 1 0 257.786 2.342 10 0 CEAERO COc1ccc([C@@H](C[NH3+])NC(=O)OC(C)(C)C)cc1F ZINC000086991941 179375572 /nfs/dbraw/zinc/37/55/72/179375572.db2.gz DJISSLZFLNGBSY-LLVKDONJSA-N 1 0 284.331 2.359 10 0 CEAERO COc1ccc(-c2nc3c(c(NN)[nH+]2)CCCC3)cc1F ZINC000086994250 179376162 /nfs/dbraw/zinc/37/61/62/179376162.db2.gz MKVNWNKAZOUCBS-UHFFFAOYSA-N 1 0 288.326 2.456 10 0 CEAERO C[C@H]1C[C@@H]([NH3+])CN(Cc2ccc(Br)o2)C1 ZINC000087040080 179386631 /nfs/dbraw/zinc/38/66/31/179386631.db2.gz BTTZCVJDWPCAIQ-DTWKUNHWSA-N 1 0 273.174 2.211 10 0 CEAERO C[C@H]1C[C@@H]([NH3+])CN(C(=O)c2ccc(Cl)s2)C1 ZINC000087040612 179387162 /nfs/dbraw/zinc/38/71/62/179387162.db2.gz KUELAYWWUVJZTR-JGVFFNPUSA-N 1 0 258.774 2.211 10 0 CEAERO C[C@@H]([NH3+])Cc1nc2cc(Br)ccc2o1 ZINC000087049650 179388888 /nfs/dbraw/zinc/38/88/88/179388888.db2.gz RQMLCGDQLVCLHJ-ZCFIWIBFSA-N 1 0 255.115 2.480 10 0 CEAERO O=C(C[NH2+]CC1(O)CCCC1)Nc1cccc(Cl)c1 ZINC000087028970 179382510 /nfs/dbraw/zinc/38/25/10/179382510.db2.gz GIPAOJDTTRMCGJ-UHFFFAOYSA-N 1 0 282.771 2.173 10 0 CEAERO C[NH2+][C@H](Cc1ccccc1)Cc1ccc(OC)nc1 ZINC000087116627 179395589 /nfs/dbraw/zinc/39/55/89/179395589.db2.gz NCROXAWSDLJCMG-OAHLLOKOSA-N 1 0 256.349 2.463 10 0 CEAERO CC1(C)CCC(O)(C[NH2+][C@H]2CCCC[C@@H]2O)CC1 ZINC000087063653 179389839 /nfs/dbraw/zinc/38/98/39/179389839.db2.gz LSSIPPKSYQRVDZ-STQMWFEESA-N 1 0 255.402 2.211 10 0 CEAERO C[C@@H]1CCC[C@@](O)(C[NH2+]CC2(O)CCCCC2)C1 ZINC000087065431 179389990 /nfs/dbraw/zinc/38/99/90/179389990.db2.gz XWFKXZZIPFIHKL-HIFRSBDPSA-N 1 0 255.402 2.212 10 0 CEAERO C[C@@H]1CCC[C@@](O)(C[NH2+]CC(=O)Nc2ccc(F)cc2)C1 ZINC000087064335 179390069 /nfs/dbraw/zinc/39/00/69/179390069.db2.gz OAMHVGVOMKUPCK-WBMJQRKESA-N 1 0 294.370 2.295 10 0 CEAERO [NH3+]C[C@@H]1CC[C@H](COCc2ccc(Cl)cc2)O1 ZINC000087096166 179394003 /nfs/dbraw/zinc/39/40/03/179394003.db2.gz ZEKFDLNLGSCYFS-QWHCGFSZSA-N 1 0 255.745 2.363 10 0 CEAERO COc1ccc(C[C@@]2(C)C[NH2+]CC(C)(C)O2)cc1OC ZINC000087090399 179394023 /nfs/dbraw/zinc/39/40/23/179394023.db2.gz LZSKLHLJMAINRX-INIZCTEOSA-N 1 0 279.380 2.403 10 0 CEAERO C[C@@H](Oc1ccc(C[NH3+])cc1Br)[C@H](C)O ZINC000087125604 179396402 /nfs/dbraw/zinc/39/64/02/179396402.db2.gz ZNYLAVGRJYZREA-JGVFFNPUSA-N 1 0 274.158 2.056 10 0 CEAERO CCn1nccc1[C@H]([NH3+])c1cncc(Br)c1 ZINC000087281595 179407801 /nfs/dbraw/zinc/40/78/01/179407801.db2.gz YHICXOKJXHWSER-LLVKDONJSA-N 1 0 281.157 2.109 10 0 CEAERO C[C@@H]([NH3+])C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000087153070 179397956 /nfs/dbraw/zinc/39/79/56/179397956.db2.gz KNVWPXQMPLNIFP-RXMQYKEDSA-N 1 0 277.549 2.388 10 0 CEAERO c1ccc(SCc2noc([C@@H]3CC[NH2+]C3)n2)cc1 ZINC000087161511 179398293 /nfs/dbraw/zinc/39/82/93/179398293.db2.gz RGZBWGNYMHPWIY-SNVBAGLBSA-N 1 0 261.350 2.439 10 0 CEAERO COc1ccc(C[C@@](C)(O)[C@@H]2CCC[NH2+]C2)cc1F ZINC000087172667 179399078 /nfs/dbraw/zinc/39/90/78/179399078.db2.gz ZMXKUXCWOYMCPY-IUODEOHRSA-N 1 0 267.344 2.127 10 0 CEAERO CC(C)(C)SCc1noc(C[C@H]([NH3+])C2CC2)n1 ZINC000087120598 179395981 /nfs/dbraw/zinc/39/59/81/179395981.db2.gz JSTSRTMCCBWPBQ-VIFPVBQESA-N 1 0 255.387 2.381 10 0 CEAERO COc1ccc([C@@H](C[NH3+])[C@H](O)c2ccccc2)cc1OC ZINC000087370525 179416809 /nfs/dbraw/zinc/41/68/09/179416809.db2.gz CNGOJRWFIVGSDH-RHSMWYFYSA-N 1 0 287.359 2.480 10 0 CEAERO CC(C)(C)C[C@@H](O)[C@H](C[NH3+])c1ccc2c(c1)OCCO2 ZINC000087382093 179417655 /nfs/dbraw/zinc/41/76/55/179417655.db2.gz XZACJGGSOXJEIW-CHWSQXEVSA-N 1 0 279.380 2.297 10 0 CEAERO Cc1ccc([C@H](O)[C@H](C[NH3+])c2ccc3c(c2)OCCO3)o1 ZINC000087382000 179417662 /nfs/dbraw/zinc/41/76/62/179417662.db2.gz AWTOLAXQIUSBMD-MLGOLLRUSA-N 1 0 289.331 2.135 10 0 CEAERO CCC[C@H](C[NH3+])NS(=O)(=O)c1ccc(Cl)cc1C ZINC000087404302 179419961 /nfs/dbraw/zinc/41/99/61/179419961.db2.gz PVYFWTZKMIOSJO-LLVKDONJSA-N 1 0 290.816 2.054 10 0 CEAERO Cc1nn(C)cc1-c1csc(C[NH2+]C(C)C)n1 ZINC000087410405 179421804 /nfs/dbraw/zinc/42/18/04/179421804.db2.gz JZCJJQVNKYNNSS-UHFFFAOYSA-N 1 0 250.371 2.350 10 0 CEAERO O=S1(=O)C[C@H](C2(C[NH2+]C3CC3)CCC2)c2ccccc21 ZINC000087411728 179422526 /nfs/dbraw/zinc/42/25/26/179422526.db2.gz WKFWKZSHVOHNDH-AWEZNQCLSA-N 1 0 291.416 2.480 10 0 CEAERO CC(C)C[NH2+]Cc1cnc(-c2cnn(C)c2)s1 ZINC000087426177 179423937 /nfs/dbraw/zinc/42/39/37/179423937.db2.gz CMQZPXKDEHKKBS-UHFFFAOYSA-N 1 0 250.371 2.289 10 0 CEAERO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000248494469 539636540 /nfs/dbraw/zinc/63/65/40/539636540.db2.gz KKUQVVGZUZCUHH-VNHYZAJKSA-N 1 0 297.420 2.006 10 0 CEAERO Cc1ccccc1CNC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000248619276 539638292 /nfs/dbraw/zinc/63/82/92/539638292.db2.gz SMGFOOHHAICHDU-OFQRWUPVSA-N 1 0 290.407 2.157 10 0 CEAERO CC(C)([NH3+])C(C)(C)c1nc(Cc2ccccn2)no1 ZINC000087621617 179457262 /nfs/dbraw/zinc/45/72/62/179457262.db2.gz FFBKQWUKODSPRG-UHFFFAOYSA-N 1 0 260.341 2.070 10 0 CEAERO CCN(Cc1ccco1)C(=O)C(C)(C)C(C)(C)[NH3+] ZINC000087628056 179458919 /nfs/dbraw/zinc/45/89/19/179458919.db2.gz SGCVKLJNJPGWAE-UHFFFAOYSA-N 1 0 252.358 2.392 10 0 CEAERO CC(C)([NH3+])C(C)(C)C(=O)NC[C@@H]1Cc2ccccc21 ZINC000087627765 179459322 /nfs/dbraw/zinc/45/93/22/179459322.db2.gz ROXQWPVGAPYEBJ-LBPRGKRZSA-N 1 0 260.381 2.206 10 0 CEAERO CNC(=O)c1cccc(NC(=O)C(C)(C)C(C)(C)[NH3+])c1C ZINC000087627752 179459359 /nfs/dbraw/zinc/45/93/59/179459359.db2.gz OPFCXQUZYAVJQB-UHFFFAOYSA-N 1 0 291.395 2.057 10 0 CEAERO COc1ccc(NC(=O)[C@@H](C)CCC[C@@H](C)[NH3+])cn1 ZINC000087682683 179470281 /nfs/dbraw/zinc/47/02/81/179470281.db2.gz YSUCVWLBOUESNI-WDEREUQCSA-N 1 0 265.357 2.182 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccnc(C)n2)C12CCC2 ZINC000087710419 179475725 /nfs/dbraw/zinc/47/57/25/179475725.db2.gz RRRVYKRPSJFHEL-UONOGXRCSA-N 1 0 261.369 2.222 10 0 CEAERO COC(=O)C(C)(C)C[C@@H]([NH3+])c1ccc2c(c1)CCC(=O)N2 ZINC000087721074 179477155 /nfs/dbraw/zinc/47/71/55/179477155.db2.gz LNAJRFADTMDDHV-GFCCVEGCSA-N 1 0 290.363 2.160 10 0 CEAERO CC[NH2+][C@@H](Cc1nc([C@H]2CCCO2)no1)C(C)C ZINC000087803676 179488203 /nfs/dbraw/zinc/48/82/03/179488203.db2.gz CNQSCIHHXWBNGB-WDEREUQCSA-N 1 0 253.346 2.098 10 0 CEAERO [NH3+]C[C@H](Sc1ncns1)c1ccc(F)cc1 ZINC000087513814 179438098 /nfs/dbraw/zinc/43/80/98/179438098.db2.gz ZAVDTKAMQZGYRX-VIFPVBQESA-N 1 0 255.343 2.469 10 0 CEAERO COC(=O)Nc1cccc(NC(=O)[C@@H](C[NH3+])C(C)C)c1 ZINC000087523415 179440176 /nfs/dbraw/zinc/44/01/76/179440176.db2.gz ZREGUWBJVMJKQY-LBPRGKRZSA-N 1 0 279.340 2.034 10 0 CEAERO CC(C)[C@@H](C[NH3+])C(=O)N(CC(F)(F)F)[C@H](C)C1CC1 ZINC000087525325 179440557 /nfs/dbraw/zinc/44/05/57/179440557.db2.gz ONAGKJKVOJRHTP-MWLCHTKSSA-N 1 0 280.334 2.407 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000087532091 179442039 /nfs/dbraw/zinc/44/20/39/179442039.db2.gz YBPAFPUWZARXHJ-JTQLQIEISA-N 1 0 290.285 2.186 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000087533166 179442255 /nfs/dbraw/zinc/44/22/55/179442255.db2.gz OHZLEIWJGDHZEC-QMMMGPOBSA-N 1 0 255.387 2.364 10 0 CEAERO CCC[NH2+][C@@H](CC(N)=O)c1cccc(OCC)c1 ZINC000087551652 179445507 /nfs/dbraw/zinc/44/55/07/179445507.db2.gz KQAIMZPMYAXISQ-ZDUSSCGKSA-N 1 0 250.342 2.001 10 0 CEAERO C[NH2+]C1(CC(=O)N(CCOC)CC(C)C)CCCCC1 ZINC000087577183 179449084 /nfs/dbraw/zinc/44/90/84/179449084.db2.gz KJZCZLADKGHRMI-UHFFFAOYSA-N 1 0 284.444 2.430 10 0 CEAERO COc1ccc(N[C@]2(C[NH3+])CCCSC2)cc1 ZINC000087910707 179518246 /nfs/dbraw/zinc/51/82/46/179518246.db2.gz BNRJMZCDABEUBL-ZDUSSCGKSA-N 1 0 252.383 2.332 10 0 CEAERO CC(C)(C)[N@@H+]1CCN[C@H](c2ccc3ccnnc3c2)C1 ZINC000616633686 348542193 /nfs/dbraw/zinc/54/21/93/348542193.db2.gz DWGLAUVWAHHTMT-HNNXBMFYSA-N 1 0 270.380 2.375 10 0 CEAERO CC(C)[N@@H+]1CCCOC[C@H]1c1cccc(CCO)c1 ZINC000616644413 348545348 /nfs/dbraw/zinc/54/53/48/348545348.db2.gz CVURTKHGMFKUBU-INIZCTEOSA-N 1 0 263.381 2.393 10 0 CEAERO c1ccc(C[N@@H+]2CCCO[C@@H](c3ccncn3)C2)cc1 ZINC000616652188 348548701 /nfs/dbraw/zinc/54/87/01/348548701.db2.gz ULBAHWCIECIXTJ-MRXNPFEDSA-N 1 0 269.348 2.440 10 0 CEAERO COc1ccc(C[C@H]([NH3+])[C@@H]2CCCOC2)cc1F ZINC000087813956 179491125 /nfs/dbraw/zinc/49/11/25/179491125.db2.gz LNONFNOUCARPNP-YPMHNXCESA-N 1 0 253.317 2.131 10 0 CEAERO CCC[C@]1(c2nc([C@@H]3CCCOC3)no2)CCC[NH2+]C1 ZINC000087813736 179491154 /nfs/dbraw/zinc/49/11/54/179491154.db2.gz LUASXUMJZLFNKS-DOMZBBRYSA-N 1 0 279.384 2.385 10 0 CEAERO COc1ccc(CSc2cnn(C)c2)cc1C(N)=[NH2+] ZINC000087828845 179496355 /nfs/dbraw/zinc/49/63/55/179496355.db2.gz QQONATQHNIHWDR-UHFFFAOYSA-N 1 0 276.365 2.005 10 0 CEAERO CC(C)[N@@H+]1CCOC[C@H](c2cc3ccccc3nn2)C1 ZINC000616658284 348550405 /nfs/dbraw/zinc/55/04/05/348550405.db2.gz CTFIDUFJAZWYMS-CQSZACIVSA-N 1 0 271.364 2.454 10 0 CEAERO CC[C@H](C[NH3+])c1nc([C@@H]2COc3ccccc3O2)no1 ZINC000087855828 179501661 /nfs/dbraw/zinc/50/16/61/179501661.db2.gz VJIAYJLEAGDIMX-SKDRFNHKSA-N 1 0 275.308 2.034 10 0 CEAERO CC[NH2+][C@@H](Cc1cc(Cl)ccc1OC)[C@H]1COCCO1 ZINC000087857956 179502439 /nfs/dbraw/zinc/50/24/39/179502439.db2.gz NTZFUNVXXNVAQY-DZGCQCFKSA-N 1 0 299.798 2.285 10 0 CEAERO CN(CC1CCCCC1)c1nc(NN)[nH+]cc1Cl ZINC000087864623 179505186 /nfs/dbraw/zinc/50/51/86/179505186.db2.gz VVDWCAHMCHJOCG-UHFFFAOYSA-N 1 0 269.780 2.432 10 0 CEAERO COC(=O)c1cnc(-c2ccccc2)nc1[C@H]1CCC[NH2+]1 ZINC000616580022 348526277 /nfs/dbraw/zinc/52/62/77/348526277.db2.gz STIHXXAVCBPBLY-CYBMUJFWSA-N 1 0 283.331 2.355 10 0 CEAERO CC[N@@H+]1CCO[C@H](c2cccc(NC(C)=O)c2)CC1 ZINC000616592397 348527871 /nfs/dbraw/zinc/52/78/71/348527871.db2.gz DFVCXTXODSLEJV-HNNXBMFYSA-N 1 0 262.353 2.428 10 0 CEAERO CC(C)[N@@H+]1CCOCC[C@@H]1c1ccccc1CCO ZINC000616598180 348529134 /nfs/dbraw/zinc/52/91/34/348529134.db2.gz HUUJGCZVTUWWBH-MRXNPFEDSA-N 1 0 263.381 2.393 10 0 CEAERO CC[N@@H+]1CCOCC[C@@H]1c1cnnc2ccccc21 ZINC000616598194 348529215 /nfs/dbraw/zinc/52/92/15/348529215.db2.gz ICQCJTPJQSGGIC-OAHLLOKOSA-N 1 0 257.337 2.413 10 0 CEAERO CC(C)(C)[N@@H+]1CCO[C@@H](c2ccc(C(N)=O)cc2)CC1 ZINC000616596242 348529511 /nfs/dbraw/zinc/52/95/11/348529511.db2.gz TZBSQLSDSRMMBJ-CQSZACIVSA-N 1 0 276.380 2.347 10 0 CEAERO CC[N@@H+]1CCCO[C@H](c2cccc(NC(C)=O)c2)C1 ZINC000616599513 348530543 /nfs/dbraw/zinc/53/05/43/348530543.db2.gz VYOFTKSEDZGTHW-HNNXBMFYSA-N 1 0 262.353 2.428 10 0 CEAERO CCOC(=O)c1cccc([C@H]2CCCC[N@H+](CCO)C2)c1 ZINC000616604886 348532115 /nfs/dbraw/zinc/53/21/15/348532115.db2.gz SNEBAJUZECRLPT-INIZCTEOSA-N 1 0 291.391 2.425 10 0 CEAERO [NH3+]CCN1CCC[C@@H](c2cncc3ccccc32)C1 ZINC000616609316 348533286 /nfs/dbraw/zinc/53/32/86/348533286.db2.gz QALYFYZIGRNQKP-CQSZACIVSA-N 1 0 255.365 2.373 10 0 CEAERO OCC[N@@H+]1CCCC[C@@H]1c1ccc2nnccc2c1 ZINC000616614526 348534959 /nfs/dbraw/zinc/53/49/59/348534959.db2.gz UJSLBHDZPDWUAF-OAHLLOKOSA-N 1 0 257.337 2.149 10 0 CEAERO OCC[N@@H+]1CCC[C@@H](c2cccc3cccnc32)C1 ZINC000616619996 348536637 /nfs/dbraw/zinc/53/66/37/348536637.db2.gz DNVLQDDLIULBDY-CQSZACIVSA-N 1 0 256.349 2.407 10 0 CEAERO CCOC(=O)c1ccccc1[C@@H]1CCCN(CC[NH3+])C1 ZINC000616621139 348537409 /nfs/dbraw/zinc/53/74/09/348537409.db2.gz PFCFRLRCSBXMGI-CYBMUJFWSA-N 1 0 276.380 2.001 10 0 CEAERO OCCc1ccccc1[C@H]1CCCCC[N@H+]1CCO ZINC000616623563 348537734 /nfs/dbraw/zinc/53/77/34/348537734.db2.gz NAUCLDZZEBWVNY-MRXNPFEDSA-N 1 0 263.381 2.131 10 0 CEAERO OCCc1cccc([C@@H]2CCCCC[N@H+]2CCO)c1 ZINC000616625945 348538729 /nfs/dbraw/zinc/53/87/29/348538729.db2.gz ZILCYKDJZPUATD-INIZCTEOSA-N 1 0 263.381 2.131 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH3+])[C@@H]1CCOc2ccccc21 ZINC000088019343 179536684 /nfs/dbraw/zinc/53/66/84/179536684.db2.gz CGDMNECUYKRDJC-OCCSQVGLSA-N 1 0 297.420 2.095 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH3+])[C@@H]1CCc2ccccc21 ZINC000088030106 179537088 /nfs/dbraw/zinc/53/70/88/179537088.db2.gz URIOGGRHIRVPDJ-HUUCEWRRSA-N 1 0 281.421 2.259 10 0 CEAERO C[C@@H]([NH3+])C[S@](=O)Cc1ccc(F)cc1Br ZINC000088069507 179544018 /nfs/dbraw/zinc/54/40/18/179544018.db2.gz OVWGEVQXUSNDNX-KWKYVRJSSA-N 1 0 294.189 2.184 10 0 CEAERO [NH3+]CCCS(=O)(=O)Cc1cc(Cl)ccc1Cl ZINC000088067174 179544044 /nfs/dbraw/zinc/54/40/44/179544044.db2.gz WQVSRLOZBCFZBQ-UHFFFAOYSA-N 1 0 282.192 2.257 10 0 CEAERO CC[C@H]([NH3+])C[S@@](=O)Cc1cc(Br)cs1 ZINC000088073448 179544619 /nfs/dbraw/zinc/54/46/19/179544619.db2.gz QTRXXEWPZYYHJN-RTHLEPHNSA-N 1 0 296.255 2.497 10 0 CEAERO COc1cccc(F)c1C(=O)N1C[C@@H](C[NH3+])CC[C@@H]1C ZINC000088081147 179546167 /nfs/dbraw/zinc/54/61/67/179546167.db2.gz UGBYZSBUMOWVDE-WDEREUQCSA-N 1 0 280.343 2.034 10 0 CEAERO C[C@@H](C[NH3+])C[S@](=O)Cc1ccc(Br)cc1 ZINC000088089476 179547082 /nfs/dbraw/zinc/54/70/82/179547082.db2.gz UCTXUVJTEIOYGQ-BJOHPYRUSA-N 1 0 290.226 2.293 10 0 CEAERO C[C@H]([NH3+])CCC(=O)Nc1c2nsnc2ccc1Cl ZINC000088126506 179552760 /nfs/dbraw/zinc/55/27/60/179552760.db2.gz ZFJWHGOSVGRPKD-LURJTMIESA-N 1 0 284.772 2.411 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]1)Nc1c2nsnc2ccc1Cl ZINC000088126553 179552829 /nfs/dbraw/zinc/55/28/29/179552829.db2.gz OCLYWENDAKICIY-ZETCQYMHSA-N 1 0 296.783 2.425 10 0 CEAERO C[C@@H](CC[NH3+])[S@](=O)c1ccccc1Br ZINC000088144698 179556062 /nfs/dbraw/zinc/55/60/62/179556062.db2.gz MRLPRXMICBYTTI-RMLUDKJBSA-N 1 0 276.199 2.294 10 0 CEAERO CCNC(=O)COc1cccc2c1CCC[C@@H]2[NH2+]CC ZINC000088152035 179557861 /nfs/dbraw/zinc/55/78/61/179557861.db2.gz LAQWCVWEDBCYOR-AWEZNQCLSA-N 1 0 276.380 2.188 10 0 CEAERO C[NH2+][C@H]1CCCc2c(O[C@H]3CCCCNC3=O)cccc21 ZINC000088151590 179557916 /nfs/dbraw/zinc/55/79/16/179557916.db2.gz YLOXFQSVRUZEEU-HOCLYGCPSA-N 1 0 288.391 2.331 10 0 CEAERO Cc1ccnc(Cl)c1NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000088189084 179561737 /nfs/dbraw/zinc/56/17/37/179561737.db2.gz MCRMJLPDZICKLJ-GFCCVEGCSA-N 1 0 253.733 2.124 10 0 CEAERO Nc1ccc([C@H]2CC[N@H+](Cc3ccccc3)CCO2)cn1 ZINC000616663646 348553544 /nfs/dbraw/zinc/55/35/44/348553544.db2.gz VQESZDZGXOIFEV-MRXNPFEDSA-N 1 0 283.375 2.458 10 0 CEAERO [NH3+]CCN1CC[C@H](OC(F)(F)F)c2ccccc21 ZINC000616674404 348556847 /nfs/dbraw/zinc/55/68/47/348556847.db2.gz FTUOMPLPJLESKY-NSHDSACASA-N 1 0 260.259 2.433 10 0 CEAERO COc1ccccc1C[C@@H](C)N(C)C(=O)[C@@H]([NH3+])CC(C)C ZINC000088200128 179565098 /nfs/dbraw/zinc/56/50/98/179565098.db2.gz LGRUZLTZSOGBBM-HIFRSBDPSA-N 1 0 292.423 2.458 10 0 CEAERO OCC[N@@H+]1CCc2ccccc2[C@H]1c1ccncc1 ZINC000616678502 348558161 /nfs/dbraw/zinc/55/81/61/348558161.db2.gz ISESGTRHMLCOKV-MRXNPFEDSA-N 1 0 254.333 2.021 10 0 CEAERO OCCc1cccc([C@H]2c3ccccc3CC[N@H+]2CCO)c1 ZINC000616679357 348558274 /nfs/dbraw/zinc/55/82/74/348558274.db2.gz UMVJIGREWKKAAH-IBGZPJMESA-N 1 0 297.398 2.161 10 0 CEAERO CC(C)[N@@H+]1CCO[C@H](c2ccc(CCO)cc2)CC1 ZINC000616687309 348560858 /nfs/dbraw/zinc/56/08/58/348560858.db2.gz TXBMSMWYAXNICP-INIZCTEOSA-N 1 0 263.381 2.393 10 0 CEAERO CC(C)(C)[N@@H+]1CCO[C@H](c2ccc(C(N)=O)cc2)CC1 ZINC000616687311 348560907 /nfs/dbraw/zinc/56/09/07/348560907.db2.gz TZBSQLSDSRMMBJ-AWEZNQCLSA-N 1 0 276.380 2.347 10 0 CEAERO CCOc1ccccc1OCC[C@@]1(C[NH2+]C)CCOC1 ZINC000088414877 179595417 /nfs/dbraw/zinc/59/54/17/179595417.db2.gz LUDRWKMQHSLKPN-MRXNPFEDSA-N 1 0 279.380 2.480 10 0 CEAERO COc1ccccc1OCCN1CC(C)(C)[NH2+]C[C@H]1C ZINC000088415581 179596470 /nfs/dbraw/zinc/59/64/70/179596470.db2.gz IWYQAEDLVVMBMW-CYBMUJFWSA-N 1 0 278.396 2.146 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C(=O)Nc2cc(F)c(F)cc2F)C1 ZINC000088450985 179606714 /nfs/dbraw/zinc/60/67/14/179606714.db2.gz NDEDTUIPGODSGR-HTQZYQBOSA-N 1 0 272.270 2.288 10 0 CEAERO Cc1nn(C)c(C)c1OC[C@@H]1CC[C@H](C[NH2+]CC(C)C)O1 ZINC000088453752 179607257 /nfs/dbraw/zinc/60/72/57/179607257.db2.gz PTRPPYHQZOGDNR-CABCVRRESA-N 1 0 295.427 2.209 10 0 CEAERO C[C@H](C[NH3+])S(=O)(=O)Nc1ccccc1-c1ccccc1 ZINC000088471909 179610089 /nfs/dbraw/zinc/61/00/89/179610089.db2.gz BGJWFDATPKFTEM-GFCCVEGCSA-N 1 0 290.388 2.443 10 0 CEAERO CN(CCC[NH+](C)C)c1cccc(Cl)c1CO ZINC000104194623 185924309 /nfs/dbraw/zinc/92/43/09/185924309.db2.gz XHRDPTLFRHPFRI-UHFFFAOYSA-N 1 0 256.777 2.220 10 0 CEAERO CCC[NH2+][C@H](Cc1ncnn1C)c1ccccc1C ZINC000088581804 179629252 /nfs/dbraw/zinc/62/92/52/179629252.db2.gz DSCJFFFOPGWULK-CQSZACIVSA-N 1 0 258.369 2.407 10 0 CEAERO Cn1ncnc1C[C@H]([NH3+])Cc1ccc(Cl)cc1Cl ZINC000088581691 179629562 /nfs/dbraw/zinc/62/95/62/179629562.db2.gz GWYKHAQOYPXFCP-SNVBAGLBSA-N 1 0 285.178 2.234 10 0 CEAERO CC(C)n1ncnc1C[C@@](C)([NH3+])c1ccc(F)cc1 ZINC000088606917 179636480 /nfs/dbraw/zinc/63/64/80/179636480.db2.gz RBWSZNPGOVBFQQ-CQSZACIVSA-N 1 0 262.332 2.415 10 0 CEAERO CCC[NH2+][C@H](Cc1csc(C)n1)Cc1ncnn1CC ZINC000088611936 179639141 /nfs/dbraw/zinc/63/91/41/179639141.db2.gz QZMHYOPXCLQHPV-GFCCVEGCSA-N 1 0 293.440 2.216 10 0 CEAERO CCn1ncnc1C[C@H]([NH2+]C)C(C)(C)c1ccccc1 ZINC000088612045 179639190 /nfs/dbraw/zinc/63/91/90/179639190.db2.gz BVDZHHIPIFDHSO-AWEZNQCLSA-N 1 0 272.396 2.406 10 0 CEAERO CCCn1ncnc1C[C@H](CSC(C)C)[NH2+]CC ZINC000088612746 179639971 /nfs/dbraw/zinc/63/99/71/179639971.db2.gz DAHMIZDRSWMPGD-GFCCVEGCSA-N 1 0 270.446 2.350 10 0 CEAERO CC(C)n1ncnc1Cn1cc(CC[NH3+])c2ccccc21 ZINC000088622435 179641287 /nfs/dbraw/zinc/64/12/87/179641287.db2.gz FUUBEUNNGFZWEB-UHFFFAOYSA-N 1 0 283.379 2.363 10 0 CEAERO CC(C)n1ncnc1Cn1cc(C[NH3+])c2ccccc21 ZINC000088623550 179641788 /nfs/dbraw/zinc/64/17/88/179641788.db2.gz MRQDBLCJSRVAMO-UHFFFAOYSA-N 1 0 269.352 2.321 10 0 CEAERO CCC[C@H]1C[NH2+][C@@H](C(C)C)CN1Cc1ncnn1CCC ZINC000088624884 179641879 /nfs/dbraw/zinc/64/18/79/179641879.db2.gz DYZPREFCUCNEON-LSDHHAIUSA-N 1 0 293.459 2.287 10 0 CEAERO CCCn1ncnc1CN1CC2(CCCC2)[NH2+]C[C@H]1CC ZINC000088625625 179642878 /nfs/dbraw/zinc/64/28/78/179642878.db2.gz NRKVBONIFFDAHE-CQSZACIVSA-N 1 0 291.443 2.185 10 0 CEAERO COc1cc(C[NH3+])cc(OC)c1OCCC1CC1 ZINC000088490466 179613033 /nfs/dbraw/zinc/61/30/33/179613033.db2.gz XKWVZFBJGJGYEM-UHFFFAOYSA-N 1 0 251.326 2.341 10 0 CEAERO Cc1nc(Cl)c(NCC(C)(C)[NH+](C)C)nc1C ZINC000088497244 179614199 /nfs/dbraw/zinc/61/41/99/179614199.db2.gz KQSDKSBMKCJXLP-UHFFFAOYSA-N 1 0 256.781 2.499 10 0 CEAERO CC[NH2+][C@H](Cc1nc2ccccc2o1)[C@H]1CCOC1 ZINC000088518461 179617585 /nfs/dbraw/zinc/61/75/85/179617585.db2.gz QJXFYXCVJJBJIB-WCQYABFASA-N 1 0 260.337 2.385 10 0 CEAERO C[NH2+][C@H](Cc1ccncc1)c1ccc2c(c1)OCO2 ZINC000088526483 179618264 /nfs/dbraw/zinc/61/82/64/179618264.db2.gz YAFHBIUYBCABEJ-CYBMUJFWSA-N 1 0 256.305 2.314 10 0 CEAERO CCc1nc(CC)n([C@H](c2cccs2)[C@@H](C)[NH3+])n1 ZINC000088740116 179662159 /nfs/dbraw/zinc/66/21/59/179662159.db2.gz PFYGPUBVRAQEEL-RNCFNFMXSA-N 1 0 264.398 2.401 10 0 CEAERO CCC[NH2+]CCCS(=O)(=O)NC1CCCCCC1 ZINC000088974254 179688873 /nfs/dbraw/zinc/68/88/73/179688873.db2.gz DDZVOKIOSHIBIK-UHFFFAOYSA-N 1 0 276.446 2.018 10 0 CEAERO CC[NH2+]Cc1cccc(S(=O)(=O)N[C@@H](C)CC)c1C ZINC000088978293 179689461 /nfs/dbraw/zinc/68/94/61/179689461.db2.gz IONAJHWZSAOWLO-NSHDSACASA-N 1 0 284.425 2.181 10 0 CEAERO CCC[NH2+]CCc1ccc(S(=O)(=O)N[C@@H](C)CC)cc1 ZINC000088978064 179689662 /nfs/dbraw/zinc/68/96/62/179689662.db2.gz RZBCFMMFKDPTGP-ZDUSSCGKSA-N 1 0 298.452 2.306 10 0 CEAERO CCC[NH2+]CCCCS(=O)(=O)N(C)[C@H](C)C(C)(C)C ZINC000089007223 179690772 /nfs/dbraw/zinc/69/07/72/179690772.db2.gz MTFAOSZSFXEMFI-CYBMUJFWSA-N 1 0 292.489 2.462 10 0 CEAERO CCCCCN(C(C)C)S(=O)(=O)CCCC[NH2+]C ZINC000089004200 179690893 /nfs/dbraw/zinc/69/08/93/179690893.db2.gz KJCDKFKQCBICEI-UHFFFAOYSA-N 1 0 278.462 2.216 10 0 CEAERO CCCCN(C1CC1)S(=O)(=O)CCCC[NH2+]C(C)C ZINC000088995384 179691241 /nfs/dbraw/zinc/69/12/41/179691241.db2.gz WANQSAHADGDSJG-UHFFFAOYSA-N 1 0 290.473 2.359 10 0 CEAERO CC[NH2+]Cc1ccc(CS(=O)(=O)N[C@H]2CC2(C)C)cc1 ZINC000089014001 179692080 /nfs/dbraw/zinc/69/20/80/179692080.db2.gz ADXDVCMUISNPDK-AWEZNQCLSA-N 1 0 296.436 2.014 10 0 CEAERO C[NH2+]CCCc1nnc([C@H]2COc3ccccc3O2)s1 ZINC000088811646 179676509 /nfs/dbraw/zinc/67/65/09/179676509.db2.gz SSTPOAWQWBNQBS-GFCCVEGCSA-N 1 0 291.376 2.203 10 0 CEAERO O=C(CCC(F)(F)F)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000088834074 179680140 /nfs/dbraw/zinc/68/01/40/179680140.db2.gz HULRWTHDLPXEDC-WDEREUQCSA-N 1 0 278.318 2.462 10 0 CEAERO CC(C)[C@@H]1CCCN1c1nc2c(cc1C(N)=[NH2+])CCC2 ZINC000088837149 179681647 /nfs/dbraw/zinc/68/16/47/179681647.db2.gz FFFJXPXSSOFKQT-AWEZNQCLSA-N 1 0 272.396 2.479 10 0 CEAERO CCN1CCO[C@H](C[NH2+]Cc2ccc(C)cc2Cl)C1 ZINC000233519258 539672619 /nfs/dbraw/zinc/67/26/19/539672619.db2.gz BAHVNITUISBRES-CQSZACIVSA-N 1 0 282.815 2.459 10 0 CEAERO CC[C@H]([NH3+])Cc1c(C)nn(CCOC(F)(F)F)c1C ZINC000089056559 179695030 /nfs/dbraw/zinc/69/50/30/179695030.db2.gz PBXUYUBUFXTWKW-JTQLQIEISA-N 1 0 279.306 2.316 10 0 CEAERO Cc1cc(C)cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000089108164 179703644 /nfs/dbraw/zinc/70/36/44/179703644.db2.gz KNMIDJGMMHKZKY-DZGCQCFKSA-N 1 0 296.436 2.099 10 0 CEAERO CCN(C1(C[NH3+])CCC(C)CC1)S(=O)(=O)C(C)(C)C ZINC000104238902 185940281 /nfs/dbraw/zinc/94/02/81/185940281.db2.gz DRKBQPFNJCQQQR-UHFFFAOYSA-N 1 0 290.473 2.344 10 0 CEAERO CN([C@H]1CCCC[C@@H]1C[NH3+])S(=O)(=O)C1CCCCC1 ZINC000089132374 179713760 /nfs/dbraw/zinc/71/37/60/179713760.db2.gz MPYHUAICGRHUAN-OCCSQVGLSA-N 1 0 288.457 2.098 10 0 CEAERO Cn1cnnc1-c1ccc(N[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000089142007 179720649 /nfs/dbraw/zinc/72/06/49/179720649.db2.gz UILZQPIMKJCOCB-HIFRSBDPSA-N 1 0 285.395 2.412 10 0 CEAERO Cc1cc(=O)n(CCC[NH2+]C2CCCCC2)c(C)n1 ZINC000104269567 185950028 /nfs/dbraw/zinc/95/00/28/185950028.db2.gz ABLRFWASLITDFR-UHFFFAOYSA-N 1 0 263.385 2.173 10 0 CEAERO COc1cccc(C(=O)N(C)[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000089120126 179711869 /nfs/dbraw/zinc/71/18/69/179711869.db2.gz INDILGNIJTYXIB-ZFWWWQNUSA-N 1 0 276.380 2.285 10 0 CEAERO COC(=O)c1ccc(C)c(N[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000089148431 179723716 /nfs/dbraw/zinc/72/37/16/179723716.db2.gz YVPSAYWQNZHITO-STQMWFEESA-N 1 0 262.353 2.321 10 0 CEAERO CC(=O)N(C)Cc1ccccc1N[C@H]1CCC[C@@H]1C[NH3+] ZINC000089148727 179724943 /nfs/dbraw/zinc/72/49/43/179724943.db2.gz QUFWQWNOWYXZPG-HIFRSBDPSA-N 1 0 275.396 2.204 10 0 CEAERO CNC(=O)c1cc(N[C@@H]2CCC[C@@H]2C[NH3+])ccc1Cl ZINC000089150048 179725253 /nfs/dbraw/zinc/72/52/53/179725253.db2.gz OKCPRGQLQWVIKS-NOZJJQNGSA-N 1 0 281.787 2.239 10 0 CEAERO Cc1cc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])ccc1F ZINC000089461773 539719180 /nfs/dbraw/zinc/71/91/80/539719180.db2.gz ZILAFXHGRAIUGL-CMPLNLGQSA-N 1 0 250.317 2.448 10 0 CEAERO Cc1nn(C)c(COc2ccc3c(c2)OC[C@H]3[NH3+])c1Cl ZINC000089231443 179758624 /nfs/dbraw/zinc/75/86/24/179758624.db2.gz PIIGDFFLBNKNDM-LLVKDONJSA-N 1 0 293.754 2.353 10 0 CEAERO CCn1nc(C)cc1C[C@@]1([NH3+])CCOc2ccccc21 ZINC000089231062 179758822 /nfs/dbraw/zinc/75/88/22/179758822.db2.gz UQSNNPFCVFIIST-INIZCTEOSA-N 1 0 271.364 2.391 10 0 CEAERO C[NH2+][C@H](Cc1cc(C)nn1C)c1ccc(OC)c(OC)c1 ZINC000089192522 179750030 /nfs/dbraw/zinc/75/00/30/179750030.db2.gz JQKNWYCSMFKPLA-CQSZACIVSA-N 1 0 289.379 2.249 10 0 CEAERO CCc1cc(C[C@H]([NH3+])[C@@H]2Cc3ccccc32)n(C)n1 ZINC000089198499 179751723 /nfs/dbraw/zinc/75/17/23/179751723.db2.gz MMZDSIUAYKGKJL-CVEARBPZSA-N 1 0 255.365 2.192 10 0 CEAERO CCC[NH2+][C@H](Cc1cc(C)nn1CC)[C@H]1CCCO1 ZINC000089199333 179752116 /nfs/dbraw/zinc/75/21/16/179752116.db2.gz BXTXYXLVRMCCLM-HUUCEWRRSA-N 1 0 265.401 2.301 10 0 CEAERO Cc1cc(C[C@H]([NH3+])[C@H]2CCOc3ccccc32)n(C)n1 ZINC000089200698 179752241 /nfs/dbraw/zinc/75/22/41/179752241.db2.gz HAFZLTZITRLJEM-ZFWWWQNUSA-N 1 0 271.364 2.165 10 0 CEAERO CC(C)CCN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000089456235 539717518 /nfs/dbraw/zinc/71/75/18/539717518.db2.gz ZFHVYZRCWQTDKX-TZMCWYRMSA-N 1 0 252.402 2.399 10 0 CEAERO CCn1nc(C)cc1Cn1nccc1C[NH2+]CC(C)C ZINC000089207539 179754102 /nfs/dbraw/zinc/75/41/02/179754102.db2.gz OJBDTRKEKLFOJB-UHFFFAOYSA-N 1 0 275.400 2.202 10 0 CEAERO CCc1cc(CN2CC[NH2+][C@@H](CC(C)C)C2)n(CC)n1 ZINC000089208501 179754773 /nfs/dbraw/zinc/75/47/73/179754773.db2.gz XCQYPZYBEYBLFA-HNNXBMFYSA-N 1 0 278.444 2.285 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCCc1cccc(Cl)c1 ZINC000089459809 539718586 /nfs/dbraw/zinc/71/85/86/539718586.db2.gz GWBADRPTKNISAQ-OCCSQVGLSA-N 1 0 280.799 2.374 10 0 CEAERO CCC1(CC)CN(Cc2cc(C)nn2C)[C@H](C)C[NH2+]1 ZINC000089210866 179755819 /nfs/dbraw/zinc/75/58/19/179755819.db2.gz FNVYVDNULGNKNR-CYBMUJFWSA-N 1 0 264.417 2.081 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400352781 233176899 /nfs/dbraw/zinc/17/68/99/233176899.db2.gz NMDFFHBASMUTEM-RFQIPJPRSA-N 1 0 298.427 2.399 10 0 CEAERO CC[NH2+]C[C@H]1CCCN1Cc1c(Cl)c(CC)nn1C ZINC000089320586 179769408 /nfs/dbraw/zinc/76/94/08/179769408.db2.gz SYUMNQPJUAYVTR-LLVKDONJSA-N 1 0 284.835 2.210 10 0 CEAERO Cc1nn(C)c(C[C@@]2([NH3+])COc3ccccc3C2)c1Cl ZINC000089273217 179764004 /nfs/dbraw/zinc/76/40/04/179764004.db2.gz AXHJAJBXDFHGKF-OAHLLOKOSA-N 1 0 291.782 2.257 10 0 CEAERO CCn1nc(C)c(Cl)c1CN(C)C1CC[NH2+]CC1 ZINC000089281820 179764424 /nfs/dbraw/zinc/76/44/24/179764424.db2.gz MBFVLKCKPLGMCT-UHFFFAOYSA-N 1 0 270.808 2.049 10 0 CEAERO CC(=O)Nc1cc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])ccc1C ZINC000089454279 179793510 /nfs/dbraw/zinc/79/35/10/179793510.db2.gz XCNMOAXNTVBOMD-OCCSQVGLSA-N 1 0 289.379 2.267 10 0 CEAERO CC1CCC(N(C)C(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089456047 179794173 /nfs/dbraw/zinc/79/41/73/179794173.db2.gz CNBJWWRWSFZFDF-HHTDUIENSA-N 1 0 252.402 2.399 10 0 CEAERO CCN(Cc1ccco1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089456797 179794552 /nfs/dbraw/zinc/79/45/52/179794552.db2.gz GKJDHVAMXJVVQL-WCQYABFASA-N 1 0 250.342 2.003 10 0 CEAERO C[C@H](CCc1ccco1)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089459534 179795241 /nfs/dbraw/zinc/79/52/41/179795241.db2.gz JSHHTDDWHTYYOE-YRGRVCCFSA-N 1 0 264.369 2.092 10 0 CEAERO CCC(=O)Nc1cccc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089459481 179795300 /nfs/dbraw/zinc/79/53/00/179795300.db2.gz XCVOXNYHWSQWSC-RISCZKNCSA-N 1 0 289.379 2.349 10 0 CEAERO C[C@H](OC[C@H]1CCCC[C@@H]1C[NH3+])C(=O)N1CCCCC1 ZINC000089535777 179812315 /nfs/dbraw/zinc/81/23/15/179812315.db2.gz BCLHJKMLQLTHGQ-RRFJBIMHSA-N 1 0 282.428 2.169 10 0 CEAERO NC(=O)c1c(Cl)cccc1OC[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089538433 179813563 /nfs/dbraw/zinc/81/35/63/179813563.db2.gz FRUWJPDUPFQTBA-ZJUUUORDSA-N 1 0 282.771 2.193 10 0 CEAERO Cc1cc(C(=O)NC[C@@H]2CCC[C@H]2C[NH3+])ccc1F ZINC000089500300 179804879 /nfs/dbraw/zinc/80/48/79/179804879.db2.gz MHIUAMGHBQLKOB-STQMWFEESA-N 1 0 264.344 2.239 10 0 CEAERO OC[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000089505042 179806436 /nfs/dbraw/zinc/80/64/36/179806436.db2.gz GQQZCJGYCLPSLT-ZIAGYGMSSA-N 1 0 277.364 2.304 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(C)cc1O[C@@H](CC)C(N)=O ZINC000104333337 185972694 /nfs/dbraw/zinc/97/26/94/185972694.db2.gz WEMRIXYOIGYWHS-AAEUAGOBSA-N 1 0 264.369 2.308 10 0 CEAERO COCCC[NH2+]CCOc1ccc(SC)cc1 ZINC000104333599 185973069 /nfs/dbraw/zinc/97/30/69/185973069.db2.gz QPZIZQICZDBIBD-UHFFFAOYSA-N 1 0 255.383 2.413 10 0 CEAERO O=C(C[C@H]1CC[NH2+]C1)N[C@@H]1CCCc2ccccc21 ZINC000089741612 539730158 /nfs/dbraw/zinc/73/01/58/539730158.db2.gz MSCTUFRIPCGALF-IUODEOHRSA-N 1 0 258.365 2.180 10 0 CEAERO CC(C)C[C@](C)(O)C[NH2+]C[C@H](O)c1ccc(F)c(F)c1 ZINC000090271922 179944490 /nfs/dbraw/zinc/94/44/90/179944490.db2.gz FCWPQVMMEXCIAF-GJZGRUSLSA-N 1 0 287.350 2.385 10 0 CEAERO C[C@](O)(CO)C[NH2+]Cc1sc2ccccc2c1Cl ZINC000090284552 179949134 /nfs/dbraw/zinc/94/91/34/179949134.db2.gz GGWOCTLZAORFOX-CYBMUJFWSA-N 1 0 285.796 2.388 10 0 CEAERO CCCN(Cc1cn(C)c2ccccc12)C1C[NH2+]C1 ZINC000090292538 179951119 /nfs/dbraw/zinc/95/11/19/179951119.db2.gz RDVOVCIWWPOALU-UHFFFAOYSA-N 1 0 257.381 2.362 10 0 CEAERO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C(=O)c1cccc(Cl)c1 ZINC000090324900 179959091 /nfs/dbraw/zinc/95/90/91/179959091.db2.gz HEKLMXQGFFZGOU-IRUJWGPZSA-N 1 0 264.756 2.020 10 0 CEAERO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1C(=O)c1ccc2[nH]ccc2c1 ZINC000090336341 179965066 /nfs/dbraw/zinc/96/50/66/179965066.db2.gz PRKYQENNXZZQNY-UONOGXRCSA-N 1 0 283.375 2.238 10 0 CEAERO COc1cccc(NC(=O)N2C[C@@H]3C[NH2+]C[C@H]3C2(C)C)c1 ZINC000090336700 179965579 /nfs/dbraw/zinc/96/55/79/179965579.db2.gz PSIRKSJBGHSKPQ-SMDDNHRTSA-N 1 0 289.379 2.157 10 0 CEAERO Cc1cccc(NC(=O)CSC[C@H](C)[NH3+])c1C ZINC000090343653 179969429 /nfs/dbraw/zinc/96/94/29/179969429.db2.gz IXVHALYDPJZFSJ-JTQLQIEISA-N 1 0 252.383 2.322 10 0 CEAERO CCOC(=O)c1nc(CSCC[C@H](C)[NH3+])cs1 ZINC000090345986 179970201 /nfs/dbraw/zinc/97/02/01/179970201.db2.gz DQAYEDQFDMYAEW-QMMMGPOBSA-N 1 0 274.411 2.290 10 0 CEAERO C[C@H](C[NH3+])CSCC(=O)Nc1cccc(F)c1 ZINC000090350731 179972068 /nfs/dbraw/zinc/97/20/68/179972068.db2.gz IDWJJGAFADFSRJ-SECBINFHSA-N 1 0 256.346 2.092 10 0 CEAERO COc1ccccc1OCCSC[C@@H](C)C[NH3+] ZINC000090351011 179972757 /nfs/dbraw/zinc/97/27/57/179972757.db2.gz ZEYHIPXGIFIHKS-NSHDSACASA-N 1 0 255.383 2.402 10 0 CEAERO CC(C)CC[C@H](C)NC(=O)CSC[C@H](C)C[NH3+] ZINC000090350958 179972830 /nfs/dbraw/zinc/97/28/30/179972830.db2.gz YRBRDXRMFQHCNX-NEPJUHHUSA-N 1 0 260.447 2.255 10 0 CEAERO CC(=O)c1ccc(NC(=O)CSC[C@H](C)C[NH3+])cc1 ZINC000090350932 179972938 /nfs/dbraw/zinc/97/29/38/179972938.db2.gz ZSUFOZWXCOJIFH-SNVBAGLBSA-N 1 0 280.393 2.156 10 0 CEAERO CC(C)([NH3+])CSCC(=O)Nc1ccc(F)cc1F ZINC000090358153 179976305 /nfs/dbraw/zinc/97/63/05/179976305.db2.gz ITRMLUPJEFNLOF-UHFFFAOYSA-N 1 0 274.336 2.374 10 0 CEAERO CC(C)([NH3+])CSCC(=O)N1CCCCCCC1 ZINC000090358321 179976409 /nfs/dbraw/zinc/97/64/09/179976409.db2.gz FEPJEHJMMMTZII-UHFFFAOYSA-N 1 0 258.431 2.250 10 0 CEAERO C[C@@H]1CCC[C@H](C)N1C(=O)CSCC(C)(C)[NH3+] ZINC000090358247 179976447 /nfs/dbraw/zinc/97/64/47/179976447.db2.gz QOWXFIHTTPQEOV-PHIMTYICSA-N 1 0 258.431 2.246 10 0 CEAERO CC[NH2+][C@H]1COC[C@H]1C(=O)N(Cc1ccccc1)C(C)C ZINC000090487619 179991277 /nfs/dbraw/zinc/99/12/77/179991277.db2.gz QSMXCHTYOMEKNL-CVEARBPZSA-N 1 0 290.407 2.048 10 0 CEAERO CC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1cc(Cl)ccc1C ZINC000090488234 179991537 /nfs/dbraw/zinc/99/15/37/179991537.db2.gz HYSMHOBKTNONLV-WCQYABFASA-N 1 0 282.771 2.211 10 0 CEAERO O[C@@H]1COCC[C@H]1[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000623765125 350106284 /nfs/dbraw/zinc/10/62/84/350106284.db2.gz OBJKJOQXOZQQFR-TZMCWYRMSA-N 1 0 290.388 2.050 10 0 CEAERO CC(C)Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2O)cc1 ZINC000623765675 350106428 /nfs/dbraw/zinc/10/64/28/350106428.db2.gz VZJVGCCHXGEQLH-CVEARBPZSA-N 1 0 263.381 2.125 10 0 CEAERO CC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc2sccc2c1 ZINC000090489230 179991951 /nfs/dbraw/zinc/99/19/51/179991951.db2.gz NGEYONOPGMHAOX-QWHCGFSZSA-N 1 0 290.388 2.464 10 0 CEAERO O[C@H]1COCC[C@H]1[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000623767295 350107326 /nfs/dbraw/zinc/10/73/26/350107326.db2.gz TXNISVUSEQWPHE-NEPJUHHUSA-N 1 0 293.260 2.084 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc(C)cc1C ZINC000090538846 180000189 /nfs/dbraw/zinc/00/01/89/180000189.db2.gz UQZGVQISUXNWTR-HIFRSBDPSA-N 1 0 276.380 2.257 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)N(CC)c1ccccc1C ZINC000090538740 180000479 /nfs/dbraw/zinc/00/04/79/180000479.db2.gz WNETZDVGIRHXPO-HUUCEWRRSA-N 1 0 290.407 2.363 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)N(C)[C@@H](C)c1cccs1 ZINC000090542233 180000729 /nfs/dbraw/zinc/00/07/29/180000729.db2.gz YCCGQLCOWBKVQQ-YNEHKIRRSA-N 1 0 296.436 2.282 10 0 CEAERO CCC(CC)[C@H](C)[NH2+]CC(=O)NCC(F)(F)F ZINC000104437384 186001513 /nfs/dbraw/zinc/00/15/13/186001513.db2.gz SGICZDHDYUFYAB-QMMMGPOBSA-N 1 0 254.296 2.079 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1CN(C)c1ccccc1OC ZINC000090566687 180006614 /nfs/dbraw/zinc/00/66/14/180006614.db2.gz LUZGGESGARPBGB-KBPBESRZSA-N 1 0 278.396 2.146 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1CN(C)c1ccc(C)cc1 ZINC000090566723 180006619 /nfs/dbraw/zinc/00/66/19/180006619.db2.gz DPEJMWMZFDMRCR-HOCLYGCPSA-N 1 0 262.397 2.446 10 0 CEAERO C[C@]1(c2nc3cc(Cl)ccc3o2)COC[C@H]1[NH3+] ZINC000090574331 180008359 /nfs/dbraw/zinc/00/83/59/180008359.db2.gz GCQIFCLUSKVTLQ-PWSUYJOCSA-N 1 0 252.701 2.096 10 0 CEAERO CCCCc1ccc(NC(=O)[C@@]2(C)COC[C@@H]2[NH3+])cc1 ZINC000090582904 180008411 /nfs/dbraw/zinc/00/84/11/180008411.db2.gz ROYLSMDEBDPNJI-HOCLYGCPSA-N 1 0 276.380 2.332 10 0 CEAERO C[C@]1(C(=O)Nc2ccccc2C(F)(F)F)COC[C@H]1[NH3+] ZINC000090580302 180008753 /nfs/dbraw/zinc/00/87/53/180008753.db2.gz LLSWDPUZTJBTEQ-PWSUYJOCSA-N 1 0 288.269 2.008 10 0 CEAERO C[C@@]1(c2ccccc2)OC[C@H](CSCC2C[NH2+]C2)O1 ZINC000090712149 180028800 /nfs/dbraw/zinc/02/88/00/180028800.db2.gz GPCXZFNZZIBDSK-HUUCEWRRSA-N 1 0 279.405 2.227 10 0 CEAERO CC[C@H](C)Oc1cccc(NC(=O)[C@]2(C)COC[C@@H]2[NH3+])c1 ZINC000090602816 180011343 /nfs/dbraw/zinc/01/13/43/180011343.db2.gz LHZDJROULUXRTG-HZUKXOBISA-N 1 0 292.379 2.166 10 0 CEAERO O=C(Nn1ccc2cc(Cl)ccc21)[C@@H]1CCC[NH2+]C1 ZINC000090624465 180014876 /nfs/dbraw/zinc/01/48/76/180014876.db2.gz ACIJFNMHGPREQS-LLVKDONJSA-N 1 0 277.755 2.364 10 0 CEAERO C[C@H](OC[C@@H]([NH3+])c1ccc2c(c1)OCO2)C(F)(F)F ZINC000090672242 180020755 /nfs/dbraw/zinc/02/07/55/180020755.db2.gz XQMRDBFBKIRLEX-IONNQARKSA-N 1 0 277.242 2.383 10 0 CEAERO C[C@H](OCCC(=O)Nc1cccc(C[NH3+])c1)C(F)(F)F ZINC000090671940 180020905 /nfs/dbraw/zinc/02/09/05/180020905.db2.gz UACMSQMORKRWBW-VIFPVBQESA-N 1 0 290.285 2.441 10 0 CEAERO C[C@H](Oc1nc2c(cc1C(N)=[NH2+])CCC2)C(F)(F)F ZINC000090673176 180021648 /nfs/dbraw/zinc/02/16/48/180021648.db2.gz KIVQJIKBQBDOGK-LURJTMIESA-N 1 0 273.258 2.184 10 0 CEAERO C[C@H](OCCC[C@](C)(CO)[NH2+]C1CC1)C(F)(F)F ZINC000090675968 180022555 /nfs/dbraw/zinc/02/25/55/180022555.db2.gz BWOBTXCWPOLJDJ-GXSJLCMTSA-N 1 0 269.307 2.237 10 0 CEAERO CCC[NH2+][C@@](C)(CO)CCO[C@H](C)C(F)(F)F ZINC000090676009 180022620 /nfs/dbraw/zinc/02/26/20/180022620.db2.gz RIYCYDHQGXJQTP-NXEZZACHSA-N 1 0 257.296 2.095 10 0 CEAERO C[C@@H]1CC[NH2+]C[C@@H]1N1CCC(C(F)(F)F)CC1 ZINC000090695701 180026446 /nfs/dbraw/zinc/02/64/46/180026446.db2.gz HRIQQSVDTSLNPG-KOLCDFICSA-N 1 0 250.308 2.259 10 0 CEAERO C[NH2+][C@@H](c1cnccc1C)[C@H]1COc2ccccc2O1 ZINC000090710180 180027965 /nfs/dbraw/zinc/02/79/65/180027965.db2.gz WLJRONVJZXMGOW-CVEARBPZSA-N 1 0 270.332 2.491 10 0 CEAERO CS[C@H](C)C[NH2+][C@H]1CCCc2[nH]c(=O)ccc21 ZINC000090725947 180032660 /nfs/dbraw/zinc/03/26/60/180032660.db2.gz JBJQREBGAUQPMQ-KOLCDFICSA-N 1 0 252.383 2.093 10 0 CEAERO CCCOc1cc(OC[C@H]2CCCC[C@H]2C[NH3+])ncn1 ZINC000090785425 180040123 /nfs/dbraw/zinc/04/01/23/180040123.db2.gz YUUNUFHBXLXCLV-QWHCGFSZSA-N 1 0 279.384 2.409 10 0 CEAERO CC(C)Oc1cc(OCC[C@@H]2CCCC[NH2+]2)ncn1 ZINC000090786323 180040790 /nfs/dbraw/zinc/04/07/90/180040790.db2.gz RHOWKEPEBZADCX-LBPRGKRZSA-N 1 0 265.357 2.175 10 0 CEAERO CCOc1cc(N(CC)C2C[C@H]3CC[C@@H](C2)[NH2+]3)nc(C)n1 ZINC000090787817 180041142 /nfs/dbraw/zinc/04/11/42/180041142.db2.gz UTTNHJJSCJWQKH-PBWFPOADSA-N 1 0 290.411 2.293 10 0 CEAERO C[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1)[S@](C)=O ZINC000090843193 180044515 /nfs/dbraw/zinc/04/45/15/180044515.db2.gz WONDSUMTIUPQNY-KSRUKNBBSA-N 1 0 261.337 2.382 10 0 CEAERO C[NH2+][C@H]1CCC[C@@H]1CN(C)Cc1scnc1C ZINC000104449401 186006310 /nfs/dbraw/zinc/00/63/10/186006310.db2.gz PKWSWUKKBILUKD-NEPJUHHUSA-N 1 0 253.415 2.271 10 0 CEAERO CC[NH2+]Cc1cccc(S[C@@H](C)C(=O)NC)c1 ZINC000090871184 180048961 /nfs/dbraw/zinc/04/89/61/180048961.db2.gz ODMLQPPJNCTZSJ-JTQLQIEISA-N 1 0 252.383 2.023 10 0 CEAERO C[C@@H](CN1CCCC1)[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000090874396 180049710 /nfs/dbraw/zinc/04/97/10/180049710.db2.gz MMMXMLVIMGSOSF-DZGCQCFKSA-N 1 0 260.381 2.064 10 0 CEAERO Cc1cccnc1C[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000090874633 180051206 /nfs/dbraw/zinc/05/12/06/180051206.db2.gz AHODQIZOTYIBSQ-CQSZACIVSA-N 1 0 254.333 2.483 10 0 CEAERO CC(C)[NH2+]Cc1cnn(C[C@@H]2Cc3ccccc3O2)c1 ZINC000090877766 180051780 /nfs/dbraw/zinc/05/17/80/180051780.db2.gz TXBWILZBLIYTQY-HNNXBMFYSA-N 1 0 271.364 2.385 10 0 CEAERO C[C@@H]1CN(C[C@@H]2Cc3ccccc3O2)[C@@H](C)CC[NH2+]1 ZINC000090878327 180051799 /nfs/dbraw/zinc/05/17/99/180051799.db2.gz KTKOLIGSHUZENX-IPYPFGDCSA-N 1 0 260.381 2.062 10 0 CEAERO c1cn(C[C@H]2Cc3ccccc3O2)c(C[NH2+]C2CC2)n1 ZINC000090876354 180052098 /nfs/dbraw/zinc/05/20/98/180052098.db2.gz YYSPVBPBKBIJCW-CQSZACIVSA-N 1 0 269.348 2.139 10 0 CEAERO CC[NH2+]C1CCN(C[C@@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090878918 180053226 /nfs/dbraw/zinc/05/32/26/180053226.db2.gz KNSMPQWMRNVULW-HNNXBMFYSA-N 1 0 278.371 2.203 10 0 CEAERO CC[C@@H](C)NC(=O)CC[NH2+]C[C@H]1Cc2cc(F)ccc2O1 ZINC000090892251 180053708 /nfs/dbraw/zinc/05/37/08/180053708.db2.gz XGLUVYRKODHJLV-BXUZGUMPSA-N 1 0 294.370 2.024 10 0 CEAERO C[C@@H]1CC[C@@H](OC[C@@H]2Cc3cc(F)ccc3O2)C[NH2+]1 ZINC000090893579 180054965 /nfs/dbraw/zinc/05/49/65/180054965.db2.gz VBMPXHAULQYPNP-HONMWMINSA-N 1 0 265.328 2.286 10 0 CEAERO Fc1ccc2c(c1)C[C@@H](COC[C@H]1CCC[NH2+]C1)O2 ZINC000090893680 180055361 /nfs/dbraw/zinc/05/53/61/180055361.db2.gz CICDOICWGCSFAU-FZMZJTMJSA-N 1 0 265.328 2.145 10 0 CEAERO CCOC(=O)CCC[NH2+]C[C@H]1Cc2cc(F)ccc2O1 ZINC000090892911 180055385 /nfs/dbraw/zinc/05/53/85/180055385.db2.gz KCWZJTNCJRDMFX-CYBMUJFWSA-N 1 0 281.327 2.062 10 0 CEAERO CC(C)[C@@H]1CN(C[C@@H]2Cc3cc(F)ccc3O2)CC[NH2+]1 ZINC000090896099 180056334 /nfs/dbraw/zinc/05/63/34/180056334.db2.gz VTANLWRPUSXRRK-GJZGRUSLSA-N 1 0 278.371 2.059 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](C[NH2+]CC[C@H]1CCCO1)O2 ZINC000090897533 180056660 /nfs/dbraw/zinc/05/66/60/180056660.db2.gz LSKOMVLHNHTAPT-CABCVRRESA-N 1 0 261.365 2.457 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](C[NH2+]CCN1CCCCC1)O2 ZINC000090897761 180057244 /nfs/dbraw/zinc/05/72/44/180057244.db2.gz LZFWUWHXLNCFJE-INIZCTEOSA-N 1 0 274.408 2.374 10 0 CEAERO COc1ncccc1C[NH2+]C[C@H]1Cc2cc(C)ccc2O1 ZINC000090897440 180057285 /nfs/dbraw/zinc/05/72/85/180057285.db2.gz HEWSQACWPNSYAF-OAHLLOKOSA-N 1 0 284.359 2.492 10 0 CEAERO COc1ccc(C[NH2+]C[C@H]2Cc3cc(C)ccc3O2)cn1 ZINC000090897990 180057471 /nfs/dbraw/zinc/05/74/71/180057471.db2.gz PVBVYNZTVYQBDU-OAHLLOKOSA-N 1 0 284.359 2.492 10 0 CEAERO CCOC(=O)CC[NH2+]C[C@H]1Cc2cc(Cl)ccc2O1 ZINC000090899742 180058423 /nfs/dbraw/zinc/05/84/23/180058423.db2.gz OJJIIHGKCQLNNA-GFCCVEGCSA-N 1 0 283.755 2.186 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](Cn1nccc1C[NH2+]C1CC1)O2 ZINC000090901940 180059899 /nfs/dbraw/zinc/05/98/99/180059899.db2.gz HNEYBZMPJVAUJR-INIZCTEOSA-N 1 0 283.375 2.447 10 0 CEAERO O[C@H](C[NH2+]C[C@H]1Cc2cc(Cl)ccc2O1)C1CC1 ZINC000090904777 180060113 /nfs/dbraw/zinc/06/01/13/180060113.db2.gz LODIBKNGPGFOSS-CHWSQXEVSA-N 1 0 267.756 2.004 10 0 CEAERO CC[NH2+][C@@H](C)c1csc(N2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000090908127 180061998 /nfs/dbraw/zinc/06/19/98/180061998.db2.gz VXZQGGUCEJVSMI-GARJFASQSA-N 1 0 267.398 2.181 10 0 CEAERO CC(C)(C)[NH2+]CC1(CN2C[C@H]3CC[C@@H](C2)O3)CCOCC1 ZINC000090907537 180062042 /nfs/dbraw/zinc/06/20/42/180062042.db2.gz YTYGLVQFQZINLC-GASCZTMLSA-N 1 0 296.455 2.035 10 0 CEAERO C[NH2+][C@H](C)c1sc(N2C[C@H]3CC[C@@H](C2)O3)nc1C ZINC000090908121 180062101 /nfs/dbraw/zinc/06/21/01/180062101.db2.gz LOZZVMHTJTYIKR-IEBDPFPHSA-N 1 0 267.398 2.100 10 0 CEAERO C[C@@H](NC(=O)c1csc(CC[NH3+])n1)c1ccccc1F ZINC000090949114 180071213 /nfs/dbraw/zinc/07/12/13/180071213.db2.gz ALMPEZDOBFXHOE-SECBINFHSA-N 1 0 293.367 2.274 10 0 CEAERO CC(C)C[C@@H](C)N(C)C(=O)c1csc(CC[NH3+])n1 ZINC000090949755 180071699 /nfs/dbraw/zinc/07/16/99/180071699.db2.gz UASYKBYMFXAVIY-SNVBAGLBSA-N 1 0 269.414 2.151 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+]Cc1c[nH]nc1C ZINC000090960334 180075331 /nfs/dbraw/zinc/07/53/31/180075331.db2.gz KAGPEPZHISDLEE-UHFFFAOYSA-N 1 0 264.354 2.028 10 0 CEAERO C[C@]1(C2CC2)CNCC[N@@H+]1C[C@@H]1Cc2ccccc21 ZINC000090982024 180079581 /nfs/dbraw/zinc/07/95/81/180079581.db2.gz DOYCDQZFOIHSNG-WMLDXEAASA-N 1 0 256.393 2.400 10 0 CEAERO C[C@@H]([NH3+])c1csc(NC(=O)[C@@H]2Cc3ccccc32)n1 ZINC000090983485 180079984 /nfs/dbraw/zinc/07/99/84/180079984.db2.gz YGCSKHVACXIBOT-LDYMZIIASA-N 1 0 273.361 2.441 10 0 CEAERO C[NH2+][C@H](c1ccc2[nH]c(=O)[nH]c2c1)[C@H]1Cc2ccccc21 ZINC000090983981 180080190 /nfs/dbraw/zinc/08/01/90/180080190.db2.gz KEEDJBCVYCEIJG-XJKSGUPXSA-N 1 0 279.343 2.457 10 0 CEAERO c1ccc2c(c1)C[C@H]2c1nc(C[C@@H]2CCC[NH2+]C2)no1 ZINC000090986705 180080757 /nfs/dbraw/zinc/08/07/57/180080757.db2.gz JUABMKLOURIUJP-SMDDNHRTSA-N 1 0 269.348 2.300 10 0 CEAERO CN(C)C(=O)CCn1cc(C[NH2+]C2CC2)c2ccccc21 ZINC000090995587 180082611 /nfs/dbraw/zinc/08/26/11/180082611.db2.gz FCPXXRSTGAZGGB-UHFFFAOYSA-N 1 0 285.391 2.372 10 0 CEAERO C[NH2+]Cc1cn(Cc2nccn2C)c2ccccc12 ZINC000090995286 180082648 /nfs/dbraw/zinc/08/26/48/180082648.db2.gz ORZKSYZQKVFVDB-UHFFFAOYSA-N 1 0 254.337 2.143 10 0 CEAERO CCn1ccnc1Cn1cc(C[NH3+])c2ccccc21 ZINC000090995019 180082760 /nfs/dbraw/zinc/08/27/60/180082760.db2.gz LXPLLKDLLNWCCC-UHFFFAOYSA-N 1 0 254.337 2.365 10 0 CEAERO CC[NH2+]Cc1cn(CCC(=O)NC2CC2)c2ccccc12 ZINC000090995419 180082912 /nfs/dbraw/zinc/08/29/12/180082912.db2.gz RBBJFWZLVLKAEC-UHFFFAOYSA-N 1 0 285.391 2.420 10 0 CEAERO C[NH2+]Cc1cn(Cc2nonc2C)c2ccccc12 ZINC000090995292 180082997 /nfs/dbraw/zinc/08/29/97/180082997.db2.gz XQQIHZBNSFWZKQ-UHFFFAOYSA-N 1 0 256.309 2.100 10 0 CEAERO C[C@H]([NH3+])Cc1ccn(CCCOCC(F)(F)F)c1 ZINC000091005983 180084624 /nfs/dbraw/zinc/08/46/24/180084624.db2.gz GJJBAXCAMROZDX-JTQLQIEISA-N 1 0 264.291 2.347 10 0 CEAERO Cc1nn(C)c(Cn2cccc2C[C@H](C)[NH3+])c1Cl ZINC000091005494 180084744 /nfs/dbraw/zinc/08/47/44/180084744.db2.gz TXZRPQISJUYSMH-VIFPVBQESA-N 1 0 266.776 2.121 10 0 CEAERO CN1CCCC[C@@H]1C[NH2+]Cc1c[nH]c2ncccc12 ZINC000091017682 180086867 /nfs/dbraw/zinc/08/68/67/180086867.db2.gz LHMMDLRCWOTYOC-CYBMUJFWSA-N 1 0 258.369 2.137 10 0 CEAERO CCCn1ccc(C[NH2+]C[C@H]2CCC[C@H]2CO)c1 ZINC000091016022 180087247 /nfs/dbraw/zinc/08/72/47/180087247.db2.gz NOCZILCFGLJVSB-CABCVRRESA-N 1 0 250.386 2.396 10 0 CEAERO CCC[NH2+]Cc1cn(Cc2ncccn2)c2ncccc12 ZINC000091020299 180087747 /nfs/dbraw/zinc/08/77/47/180087747.db2.gz NWKHAJAZGGHSLC-UHFFFAOYSA-N 1 0 281.363 2.374 10 0 CEAERO CCC[NH2+]Cc1cn(CC(=O)N(C)CC)c2ncccc12 ZINC000091020392 180088232 /nfs/dbraw/zinc/08/82/32/180088232.db2.gz JEDBWGJOQOQHSY-UHFFFAOYSA-N 1 0 288.395 2.014 10 0 CEAERO C[C@@H](Cn1cc(C[NH2+]C(C)(C)C)c2cccnc21)C(N)=O ZINC000091021024 180089015 /nfs/dbraw/zinc/08/90/15/180089015.db2.gz FKCQDWLSFPORMD-NSHDSACASA-N 1 0 288.395 2.046 10 0 CEAERO CCn1c(C[C@@H]2CSCC[NH2+]2)nc2c1cccc2F ZINC000091128594 180100255 /nfs/dbraw/zinc/10/02/55/180100255.db2.gz CFXSQXWMGKWPNW-SNVBAGLBSA-N 1 0 279.384 2.443 10 0 CEAERO CCN(CC)C(=O)C[C@@H](C[NH3+])Nc1cccc(Cl)c1 ZINC000091323009 180134321 /nfs/dbraw/zinc/13/43/21/180134321.db2.gz SWYMPHPCDUDAPH-ZDUSSCGKSA-N 1 0 283.803 2.338 10 0 CEAERO CCCC[NH+](CCCC)[C@H](CN)CC(=O)N(CC)CC ZINC000091322616 180134513 /nfs/dbraw/zinc/13/45/13/180134513.db2.gz NRRAMGMRWKECGG-HNNXBMFYSA-N 1 0 285.476 2.474 10 0 CEAERO CCN(Cc1cccs1)[C@@H](C[NH3+])CC(=O)NC(C)(C)C ZINC000091321244 180134540 /nfs/dbraw/zinc/13/45/40/180134540.db2.gz JUQOLWNQCOTFSU-GFCCVEGCSA-N 1 0 297.468 2.202 10 0 CEAERO CCCC1CCN([C@@H](C[NH3+])CC(=O)NC(C)(C)C)CC1 ZINC000091321534 180134701 /nfs/dbraw/zinc/13/47/01/180134701.db2.gz AWKNDBFWTNIOPB-CQSZACIVSA-N 1 0 283.460 2.131 10 0 CEAERO C[N@H+]([C@@H](CN)CC(=O)N1CCCCC1)C1CCCCCC1 ZINC000091325208 180135201 /nfs/dbraw/zinc/13/52/01/180135201.db2.gz CMLZNOXVVAVLLT-MRXNPFEDSA-N 1 0 295.471 2.371 10 0 CEAERO Cc1ccc2n1CCN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@@H]2C ZINC000091351389 180137815 /nfs/dbraw/zinc/13/78/15/180137815.db2.gz NFOHYGLFRNRBRW-MGPQQGTHSA-N 1 0 275.396 2.075 10 0 CEAERO O=C(NCc1cscn1)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091361362 180141808 /nfs/dbraw/zinc/14/18/08/180141808.db2.gz JPYJGJCTJBHXPE-DRZSPHRISA-N 1 0 279.409 2.070 10 0 CEAERO CN(C[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)C1CCOCC1 ZINC000091362333 180141893 /nfs/dbraw/zinc/14/18/93/180141893.db2.gz BICFIACZUSLSPQ-DZKIICNBSA-N 1 0 266.429 2.408 10 0 CEAERO C[C@H](CO)CSC[C@@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000091260488 180116229 /nfs/dbraw/zinc/11/62/29/180116229.db2.gz SJHRLYKICKXBTF-DGCLKSJQSA-N 1 0 297.420 2.209 10 0 CEAERO CC(C)n1cncc1CN(C)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000091273117 180118217 /nfs/dbraw/zinc/11/82/17/180118217.db2.gz DHMQTTYPTJANSV-HIFRSBDPSA-N 1 0 264.417 2.413 10 0 CEAERO COc1ccc(NC(=O)C[C@@H]2CSCC[NH2+]2)cc1C ZINC000091290500 180121730 /nfs/dbraw/zinc/12/17/30/180121730.db2.gz KQKVUKFMIMMVQT-GFCCVEGCSA-N 1 0 280.393 2.037 10 0 CEAERO CC[C@@H](NC(=O)C[C@@H]1CSCC[NH2+]1)c1ccccc1 ZINC000091290945 180122588 /nfs/dbraw/zinc/12/25/88/180122588.db2.gz GOVAGWJZIPKFCR-ZIAGYGMSSA-N 1 0 278.421 2.349 10 0 CEAERO c1coc(CN(CC[C@H]2CSCC[NH2+]2)C2CC2)c1 ZINC000091292168 180123633 /nfs/dbraw/zinc/12/36/33/180123633.db2.gz HFHXZFBJYAEKRX-LBPRGKRZSA-N 1 0 266.410 2.339 10 0 CEAERO O=C(C[C@@H]1C[NH2+]CCO1)Nc1cc(Cl)ccc1Cl ZINC000091298876 180125472 /nfs/dbraw/zinc/12/54/72/180125472.db2.gz BRNZKBHDRQHADH-SECBINFHSA-N 1 0 289.162 2.310 10 0 CEAERO C[NH2+]Cc1cncc(Oc2cccc(N(C)C)c2)n1 ZINC000091435028 180154535 /nfs/dbraw/zinc/15/45/35/180154535.db2.gz APYCTIORHVUBMK-UHFFFAOYSA-N 1 0 258.325 2.054 10 0 CEAERO CCS(=O)(=O)CCC[C@]1(CC(C)C)CCC[NH2+]1 ZINC000091446304 180156772 /nfs/dbraw/zinc/15/67/72/180156772.db2.gz ALLMXQNQKVTRQP-ZDUSSCGKSA-N 1 0 261.431 2.370 10 0 CEAERO C[N@@H+](Cc1ccc(Cl)cc1N)CC1CC(O)C1 ZINC000091451672 180159059 /nfs/dbraw/zinc/15/90/59/180159059.db2.gz PQWCACXBEZPDCA-UHFFFAOYSA-N 1 0 254.761 2.125 10 0 CEAERO C[N@@H+](Cc1ccc(Cl)c(N)c1)CC1CC(O)C1 ZINC000091463347 180162599 /nfs/dbraw/zinc/16/25/99/180162599.db2.gz KKQMPNVJPOLXEB-UHFFFAOYSA-N 1 0 254.761 2.125 10 0 CEAERO CC(C)[NH2+]CC[C@@](C)(O)c1ccc2c(c1)OCCCO2 ZINC000091467965 180164526 /nfs/dbraw/zinc/16/45/26/180164526.db2.gz PLCFTSHAUVPWEN-MRXNPFEDSA-N 1 0 279.380 2.444 10 0 CEAERO CCc1nn(C)c(C[C@@](C)(O)CC[NH2+]C(C)C)c1Cl ZINC000091470086 180165023 /nfs/dbraw/zinc/16/50/23/180165023.db2.gz SHIFRAUTFIIIRU-AWEZNQCLSA-N 1 0 287.835 2.318 10 0 CEAERO C[NH2+]CC1CC(OCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000091473133 180165412 /nfs/dbraw/zinc/16/54/12/180165412.db2.gz SGYTXUUCKBARAY-UHFFFAOYSA-N 1 0 282.771 2.293 10 0 CEAERO C[C@@H]1C[C@H](C)Cc2nc([C@@H]3C[NH2+]CCO3)sc21 ZINC000091501731 180175181 /nfs/dbraw/zinc/17/51/81/180175181.db2.gz KLIGRHUXFLTBLF-NGZCFLSTSA-N 1 0 252.383 2.490 10 0 CEAERO CC1(C)C(C(=O)N[C@@H]2CCCCC[C@H]2[NH3+])C1(C)C ZINC000091492718 180170948 /nfs/dbraw/zinc/17/09/48/180170948.db2.gz FLXMGMCLXBJFMM-GHMZBOCLSA-N 1 0 252.402 2.445 10 0 CEAERO Cc1ccc(CC(=O)N[C@H]2CCC[NH2+][C@@H]2C)cc1C ZINC000091496637 180172313 /nfs/dbraw/zinc/17/23/13/180172313.db2.gz HMZLWQSKLPESBA-HIFRSBDPSA-N 1 0 260.381 2.103 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(CC(=O)c2c(F)cccc2F)C1 ZINC000091395573 180146008 /nfs/dbraw/zinc/14/60/08/180146008.db2.gz BBDZVJBNEYSZKF-LLVKDONJSA-N 1 0 282.334 2.174 10 0 CEAERO C[NH+](C)[C@H]1CCCN(CC(=O)c2ccc(F)cc2)C1 ZINC000091395306 180146091 /nfs/dbraw/zinc/14/60/91/180146091.db2.gz ISDHDWMBWIQPQY-AWEZNQCLSA-N 1 0 264.344 2.034 10 0 CEAERO CC[NH2+][C@H](C)C(C)(C)CN1CCN(CC(F)(F)F)CC1 ZINC000091404758 180147349 /nfs/dbraw/zinc/14/73/49/180147349.db2.gz ZEDQCHKMSNCBAM-GFCCVEGCSA-N 1 0 295.393 2.191 10 0 CEAERO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C1C[NH2+]C1 ZINC000091408911 180148419 /nfs/dbraw/zinc/14/84/19/180148419.db2.gz RZDBCWBOUQVRGG-LBPRGKRZSA-N 1 0 258.365 2.033 10 0 CEAERO FC(F)(F)CN(c1cncc(C[NH2+]C2CC2)n1)C1CC1 ZINC000091419808 180150917 /nfs/dbraw/zinc/15/09/17/180150917.db2.gz JTDRDYJZTDWHKF-UHFFFAOYSA-N 1 0 286.301 2.260 10 0 CEAERO Cc1cc(C)n(-c2cncc(C[NH2+]CC(C)C)n2)n1 ZINC000091422354 180151164 /nfs/dbraw/zinc/15/11/64/180151164.db2.gz HHJYADNJJXAHNP-UHFFFAOYSA-N 1 0 259.357 2.025 10 0 CEAERO COc1cc([C@H](C)[NH2+]CC2CC(O)C2)cc(OC)c1OC ZINC000091426155 180151860 /nfs/dbraw/zinc/15/18/60/180151860.db2.gz MPGDJFHUNASONA-ZBOXLXRLSA-N 1 0 295.379 2.134 10 0 CEAERO C[NH2+][C@@H](C[C@@H]1Cc2ccccc21)C(C)(C)N1CCOCC1 ZINC000091566509 180193922 /nfs/dbraw/zinc/19/39/22/180193922.db2.gz LTPSEZISYLFZLZ-RDJZCZTQSA-N 1 0 288.435 2.415 10 0 CEAERO Cc1ccc(C)c([C@H]([NH3+])C(C)(C)N2CCOCC2)c1 ZINC000091566305 180194082 /nfs/dbraw/zinc/19/40/82/180194082.db2.gz LDIVOEAAVXHGHR-HNNXBMFYSA-N 1 0 262.397 2.414 10 0 CEAERO Cc1cc(C)cc([C@H]([NH3+])C(C)(C)N2CCOCC2)c1 ZINC000091566068 180194219 /nfs/dbraw/zinc/19/42/19/180194219.db2.gz LYVJTZIXZOERRE-HNNXBMFYSA-N 1 0 262.397 2.414 10 0 CEAERO C[NH2+][C@H](Cc1ccccc1C)C(C)(C)N1CCOCC1 ZINC000091566613 180194284 /nfs/dbraw/zinc/19/42/84/180194284.db2.gz KQYNUKWOVYDHHQ-MRXNPFEDSA-N 1 0 276.424 2.236 10 0 CEAERO CC(C)([C@@H](N)Cc1cnccc1N)[NH+]1CCCCCC1 ZINC000091568002 180194563 /nfs/dbraw/zinc/19/45/63/180194563.db2.gz QOICDHSIIDSHQL-HNNXBMFYSA-N 1 0 276.428 2.188 10 0 CEAERO CC[NH2+][C@H](c1ccoc1)C(C)(C)N1CCOCC1 ZINC000091566997 180194810 /nfs/dbraw/zinc/19/48/10/180194810.db2.gz OQHORZQUHMSNEY-CYBMUJFWSA-N 1 0 252.358 2.041 10 0 CEAERO CC[C@@](C)([C@@H](O)c1ccc(OC)cc1OC)[NH+](C)C ZINC000091569526 180195742 /nfs/dbraw/zinc/19/57/42/180195742.db2.gz SQAXSXGKWHNJHU-GJZGRUSLSA-N 1 0 267.369 2.468 10 0 CEAERO CC[NH2+][C@H](Cc1ncnn1CC(C)C)[C@](C)(CC)N(C)C ZINC000091570972 180195883 /nfs/dbraw/zinc/19/58/83/180195883.db2.gz ZTTPRWIYUFAGNK-ZBFHGGJFSA-N 1 0 295.475 2.185 10 0 CEAERO CCCc1nn(C)c(N2CC[C@@H]([NH+]3CCCCC3)C2)c1N ZINC000091578667 180198185 /nfs/dbraw/zinc/19/81/85/180198185.db2.gz DARDOSKQFUDCOC-CYBMUJFWSA-N 1 0 291.443 2.019 10 0 CEAERO CCc1[nH+]c(N)nc(NCc2c(C)nn(CC)c2C)c1C ZINC000091593844 180201507 /nfs/dbraw/zinc/20/15/07/180201507.db2.gz SSYPQPNBVYUBDH-UHFFFAOYSA-N 1 0 288.399 2.375 10 0 CEAERO CCCn1ncnc1C[C@H]([NH2+]C)[C@@](C)(CC)N(CC)CC ZINC000091599952 180202378 /nfs/dbraw/zinc/20/23/78/180202378.db2.gz NGTIPTFPTBYFRT-GOEBONIOSA-N 1 0 295.475 2.329 10 0 CEAERO CCn1nccc1[C@@H](O)[C@](C)(CC)[NH+]1CCCC1 ZINC000091602515 180202882 /nfs/dbraw/zinc/20/28/82/180202882.db2.gz DLRPURHYZCDTTD-KGLIPLIRSA-N 1 0 251.374 2.201 10 0 CEAERO CC[C@@](C)([C@H](NC)c1c(C)ccnc1N)[NH+]1CCCC1 ZINC000091606140 180204217 /nfs/dbraw/zinc/20/42/17/180204217.db2.gz COZLBKAEWAQGJT-ZBFHGGJFSA-N 1 0 276.428 2.497 10 0 CEAERO CC[C@@](C)([C@H](Cc1cnn(C)c1)[NH2+]C)N1CCCCC1 ZINC000091609699 180205322 /nfs/dbraw/zinc/20/53/22/180205322.db2.gz RIIBHZPKSFRXFL-HOTGVXAUSA-N 1 0 278.444 2.205 10 0 CEAERO CC[C@](C)([C@H](O)Cc1ccccc1OC)[NH+]1CCOCC1 ZINC000091611346 180206151 /nfs/dbraw/zinc/20/61/51/180206151.db2.gz LOGCFUXMFIKLIY-IAGOWNOFSA-N 1 0 293.407 2.100 10 0 CEAERO CC[C@](C)([C@@H]([NH3+])c1ccccc1F)N1CCOCC1 ZINC000091611880 180206444 /nfs/dbraw/zinc/20/64/44/180206444.db2.gz FNVFXFAWOXPUHZ-LSDHHAIUSA-N 1 0 266.360 2.326 10 0 CEAERO CC[C@@](C)([C@H]([NH3+])c1cc(F)cc(F)c1)N1CCOCC1 ZINC000091611921 180206510 /nfs/dbraw/zinc/20/65/10/180206510.db2.gz AHMLPUMDAANFFD-CABCVRRESA-N 1 0 284.350 2.466 10 0 CEAERO CC[C@@](C)([C@H](O)CC1CCCC1)[NH+]1CCOCC1 ZINC000091611213 180206698 /nfs/dbraw/zinc/20/66/98/180206698.db2.gz AKXASBBTILOFLN-CABCVRRESA-N 1 0 255.402 2.429 10 0 CEAERO CCC(CC)(C(=O)Cc1ncnn1C(C)C)[NH+](C)C ZINC000091613373 180207916 /nfs/dbraw/zinc/20/79/16/180207916.db2.gz PUXZYPCLCWNWDQ-UHFFFAOYSA-N 1 0 266.389 2.091 10 0 CEAERO CCC(CC)([C@H](N)Cc1csc(C)n1)[NH+](C)C ZINC000091614047 180208075 /nfs/dbraw/zinc/20/80/75/180208075.db2.gz WWTFIVRDMZMKOV-GFCCVEGCSA-N 1 0 255.431 2.442 10 0 CEAERO CCn1nc(C)cc1C[C@@](C)(O)CC[NH2+]CC(C)C ZINC000091520235 180177926 /nfs/dbraw/zinc/17/79/26/180177926.db2.gz PKTWPIUUEBUPOQ-HNNXBMFYSA-N 1 0 267.417 2.141 10 0 CEAERO COCC[NH2+]CC[C@@](C)(O)Cc1ccc(Cl)s1 ZINC000091519479 180178034 /nfs/dbraw/zinc/17/80/34/180178034.db2.gz CTKHYTGFKHXGSM-GFCCVEGCSA-N 1 0 277.817 2.321 10 0 CEAERO COCC[NH2+]CC[C@@](C)(O)c1cc(Cl)ccc1OC ZINC000091519493 180178079 /nfs/dbraw/zinc/17/80/79/180178079.db2.gz COPATMSCHBJQKN-CQSZACIVSA-N 1 0 287.787 2.182 10 0 CEAERO O[C@@H](C[NH2+]CC1CC(O)C1)c1ccc(C(F)(F)F)cc1 ZINC000091525314 180179004 /nfs/dbraw/zinc/17/90/04/180179004.db2.gz AZUHVEQIRIPNRW-LDUAJXOISA-N 1 0 289.297 2.099 10 0 CEAERO Cn1nc(CC(=O)C(C)(C)[NH+](C)C)c2ccccc21 ZINC000091528058 180179550 /nfs/dbraw/zinc/17/95/50/180179550.db2.gz WBKMZPSTSHDBBQ-UHFFFAOYSA-N 1 0 259.353 2.025 10 0 CEAERO CC[NH+](CC)C(C)(C)[C@@H](O)c1c(C)ccnc1N ZINC000091529883 180180378 /nfs/dbraw/zinc/18/03/78/180180378.db2.gz XVRGJPJJBSMDTN-LBPRGKRZSA-N 1 0 251.374 2.126 10 0 CEAERO CCn1nc(C)cc1CC(=O)C(C)(C)[NH+](CC)CC ZINC000091529775 180180700 /nfs/dbraw/zinc/18/07/00/180180700.db2.gz FPDUIEXNWUEEIV-UHFFFAOYSA-N 1 0 265.401 2.443 10 0 CEAERO CC[NH2+][C@@H](c1cnccc1N)C(C)(C)N(CC)CC ZINC000091531429 180180713 /nfs/dbraw/zinc/18/07/13/180180713.db2.gz YEBYMTAZEAROMN-AWEZNQCLSA-N 1 0 264.417 2.435 10 0 CEAERO CCN(CC)C(C)(C)[C@H]([NH2+]C)c1cnn(CC)c1 ZINC000091531055 180180891 /nfs/dbraw/zinc/18/08/91/180180891.db2.gz CFNLAJUJHQCPIR-CYBMUJFWSA-N 1 0 252.406 2.284 10 0 CEAERO C[NH2+][C@@H](Cc1cccc(OC)c1)C(C)(C)N(C)C ZINC000091528779 180180951 /nfs/dbraw/zinc/18/09/51/180180951.db2.gz ZJJHRZCXXBZOPH-AWEZNQCLSA-N 1 0 250.386 2.166 10 0 CEAERO CCCN[C@@H](c1nccn1C)C(C)(C)[NH+]1CCCC1 ZINC000091536229 180181987 /nfs/dbraw/zinc/18/19/87/180181987.db2.gz RUNTZHMXVZSEGJ-ZDUSSCGKSA-N 1 0 264.417 2.335 10 0 CEAERO C[NH2+][C@H](c1cncc(F)c1)C(C)(C)N1CCCC1 ZINC000091534836 180182201 /nfs/dbraw/zinc/18/22/01/180182201.db2.gz RJZUMIYGBNWGDN-CYBMUJFWSA-N 1 0 251.349 2.356 10 0 CEAERO COc1ccc([C@@H](C)[NH2+]CC2CC(O)C2)cc1OC ZINC000091538823 180183043 /nfs/dbraw/zinc/18/30/43/180183043.db2.gz SWGBFYMJHVOCQW-XSRFYTQQSA-N 1 0 265.353 2.125 10 0 CEAERO Cc1ccc(CN(C)C(=O)[C@@H]2CC[C@@H]([NH3+])C2)c(C)c1 ZINC000091542235 180184572 /nfs/dbraw/zinc/18/45/72/180184572.db2.gz CMWXZNVMAUKHCM-UKRRQHHQSA-N 1 0 260.381 2.389 10 0 CEAERO CCN(C(=O)[C@H]1CC[C@@H]([NH3+])C1)c1ccccc1F ZINC000091543823 180185142 /nfs/dbraw/zinc/18/51/42/180185142.db2.gz TWHPQMVCSRHGAX-WDEREUQCSA-N 1 0 250.317 2.306 10 0 CEAERO CCc1nc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)sc1C ZINC000091543338 180185160 /nfs/dbraw/zinc/18/51/60/180185160.db2.gz WCTZVZYPCKKBNJ-BDAKNGLRSA-N 1 0 253.371 2.080 10 0 CEAERO Cc1ccc(-c2nnco2)cc1NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091545797 180186323 /nfs/dbraw/zinc/18/63/23/180186323.db2.gz OQZLKSSWGYBOMF-PWSUYJOCSA-N 1 0 286.335 2.111 10 0 CEAERO CC[C@H](C)N1C(=O)C[C@@H]([NH2+][C@@H](C)Cc2ccsc2)C1=O ZINC000105034592 186038564 /nfs/dbraw/zinc/03/85/64/186038564.db2.gz JQRWGTOJABLCOW-GMXVVIOVSA-N 1 0 294.420 2.195 10 0 CEAERO CCC(CC)([C@@H](N)c1cnn(C)c1)[NH+]1CCCC1 ZINC000091634879 180210791 /nfs/dbraw/zinc/21/07/91/180210791.db2.gz HATVVOJYQSQJFF-ZDUSSCGKSA-N 1 0 250.390 2.075 10 0 CEAERO CCC(CC)([C@@H](NC)c1cnccn1)[NH+]1CCCC1 ZINC000091635091 180210975 /nfs/dbraw/zinc/21/09/75/180210975.db2.gz MTRLSHHUFYTJOR-AWEZNQCLSA-N 1 0 262.401 2.392 10 0 CEAERO C[NH2+][C@H](Cc1ccn(C(C)C)n1)C1(N(C)C)CCCC1 ZINC000091637814 180212027 /nfs/dbraw/zinc/21/20/27/180212027.db2.gz YWNCZPHCIKISBC-OAHLLOKOSA-N 1 0 278.444 2.469 10 0 CEAERO CCC[NH2+][C@@H](Cc1cccnc1N)C1(N(C)C)CCCC1 ZINC000091638337 180212161 /nfs/dbraw/zinc/21/21/61/180212161.db2.gz WOBJVVXIEURCBD-HNNXBMFYSA-N 1 0 290.455 2.449 10 0 CEAERO CCC[NH2+][C@H](c1cncnc1)C1(N(C)C)CCCC1 ZINC000091638286 180212399 /nfs/dbraw/zinc/21/23/99/180212399.db2.gz VOZZGBXCUOYYMR-CQSZACIVSA-N 1 0 262.401 2.392 10 0 CEAERO C[NH2+][C@@H](Cc1ccn(C(C)C)n1)C1(N(C)C)CCCC1 ZINC000091637813 180212644 /nfs/dbraw/zinc/21/26/44/180212644.db2.gz YWNCZPHCIKISBC-HNNXBMFYSA-N 1 0 278.444 2.469 10 0 CEAERO Cc1cc(C[C@H](O)C2([NH+]3CCCCC3)CCCC2)n(C)n1 ZINC000091641652 180213022 /nfs/dbraw/zinc/21/30/22/180213022.db2.gz BWGLQWTZSADTGD-INIZCTEOSA-N 1 0 291.439 2.431 10 0 CEAERO CCn1nc(C)cc1C[C@H](N)C1([NH+](C)C)CCCCC1 ZINC000091647206 180215160 /nfs/dbraw/zinc/21/51/60/180215160.db2.gz HYYNMCKATSCCHH-HNNXBMFYSA-N 1 0 278.444 2.346 10 0 CEAERO C[NH2+][C@H](Cc1ccccn1)C1(N(C)C)CCCCC1 ZINC000091647401 180215384 /nfs/dbraw/zinc/21/53/84/180215384.db2.gz VBFGCVMURNKSLI-OAHLLOKOSA-N 1 0 261.413 2.477 10 0 CEAERO CC[NH2+][C@@H](C1CCOCC1)C1(N2CCOCC2)CCCC1 ZINC000091646233 180215564 /nfs/dbraw/zinc/21/55/64/180215564.db2.gz JJKVUUYNDSJDEH-INIZCTEOSA-N 1 0 296.455 2.036 10 0 CEAERO C[NH2+][C@H](c1ccnn1C)C1(N(C)C)CCC(C)CC1 ZINC000091649195 180216694 /nfs/dbraw/zinc/21/66/94/180216694.db2.gz JRDNDJULNPTHPH-HNFVBEJKSA-N 1 0 264.417 2.191 10 0 CEAERO Cn1cc([C@@H](N)C2([NH+](C)C)CCCCCC2)cn1 ZINC000091654214 180216758 /nfs/dbraw/zinc/21/67/58/180216758.db2.gz QYBWCMILVLNECG-CYBMUJFWSA-N 1 0 250.390 2.075 10 0 CEAERO C[NH2+][C@@H](Cc1cnccc1N)C1(N(C)C)CCCCCC1 ZINC000091654426 180217405 /nfs/dbraw/zinc/21/74/05/180217405.db2.gz XSAOEHGFTGSASR-INIZCTEOSA-N 1 0 290.455 2.449 10 0 CEAERO CC1CCC(C[NH2+]C[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000091666166 180222131 /nfs/dbraw/zinc/22/21/31/180222131.db2.gz OKVUJQAYCWVBLD-QDIHITRGSA-N 1 0 266.429 2.266 10 0 CEAERO CC[NH2+][C@@H](Cc1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000091718518 180233278 /nfs/dbraw/zinc/23/32/78/180233278.db2.gz SNAMVSIFRPUJPM-GJZGRUSLSA-N 1 0 282.815 2.191 10 0 CEAERO CC[NH2+][C@@H](c1ccccc1Cl)[C@H]1CN(C)CCO1 ZINC000091718288 180233656 /nfs/dbraw/zinc/23/36/56/180233656.db2.gz YQDAAAMCILOSDT-KGLIPLIRSA-N 1 0 268.788 2.321 10 0 CEAERO CC[NH2+][C@@H](Cc1ccn(C2CCCC2)n1)CN(C)C ZINC000091719750 180234334 /nfs/dbraw/zinc/23/43/34/180234334.db2.gz WDBAKDMNAPPUDS-AWEZNQCLSA-N 1 0 264.417 2.080 10 0 CEAERO CCC[NH2+][C@H](c1ccccc1F)[C@@H]1CN(C)CCO1 ZINC000091719227 180234441 /nfs/dbraw/zinc/23/44/41/180234441.db2.gz QVCHEJXQOWJQPH-LSDHHAIUSA-N 1 0 266.360 2.197 10 0 CEAERO CCC[NH2+][C@H](c1csc(C)c1)[C@H]1CN(C)CCO1 ZINC000091719465 180234536 /nfs/dbraw/zinc/23/45/36/180234536.db2.gz QWBKGDCYEUXRGQ-ZIAGYGMSSA-N 1 0 268.426 2.428 10 0 CEAERO C[NH2+][C@@H](Cc1ccc(OC(F)(F)F)cc1)CN(C)C ZINC000091719674 180234568 /nfs/dbraw/zinc/23/45/68/180234568.db2.gz BFBGSUYLBFWOEA-NSHDSACASA-N 1 0 276.302 2.277 10 0 CEAERO CCC[NH2+][C@H](C1CCCCC1)[C@H]1CN(C)CCO1 ZINC000091719201 180234617 /nfs/dbraw/zinc/23/46/17/180234617.db2.gz SITXKEUGRGRUGK-HUUCEWRRSA-N 1 0 254.418 2.266 10 0 CEAERO COc1ccc(Cl)cc1[C@H](N)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720661 180236431 /nfs/dbraw/zinc/23/64/31/180236431.db2.gz PJSWCSRBIQTXPM-UGFHNGPFSA-N 1 0 296.798 2.212 10 0 CEAERO [NH3+][C@H](c1cccc(Cl)c1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091720522 180236606 /nfs/dbraw/zinc/23/66/06/180236606.db2.gz WYRGCTZFBUCEOH-HZSPNIEDSA-N 1 0 266.772 2.203 10 0 CEAERO CCC[NH2+][C@@H](Cc1cc(F)ccc1F)CN(C)C ZINC000091720016 180236663 /nfs/dbraw/zinc/23/66/63/180236663.db2.gz SKNADLDETODVFL-ZDUSSCGKSA-N 1 0 256.340 2.437 10 0 CEAERO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCOC[C@H]2O)cc1C ZINC000624235899 350239543 /nfs/dbraw/zinc/23/95/43/350239543.db2.gz ROHXEVQRTSANTN-CWRNSKLLSA-N 1 0 263.381 2.412 10 0 CEAERO CCCCC[C@H]([NH2+]CC)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721736 180238768 /nfs/dbraw/zinc/23/87/68/180238768.db2.gz ASFMYIZFDJSNCU-ILXRZTDVSA-N 1 0 254.418 2.408 10 0 CEAERO CCc1ccc(C(=O)N(CC[NH3+])C2CCCC2)o1 ZINC000091759372 180247394 /nfs/dbraw/zinc/24/73/94/180247394.db2.gz IIBGSJQKDIVQMI-UHFFFAOYSA-N 1 0 250.342 2.186 10 0 CEAERO CCc1ccc(C(=O)N(CC[NH3+])Cc2ccccc2)o1 ZINC000091759283 180247471 /nfs/dbraw/zinc/24/74/71/180247471.db2.gz VKVRQCNBTGDFGR-UHFFFAOYSA-N 1 0 272.348 2.443 10 0 CEAERO CCc1ccc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2[NH3+])o1 ZINC000091777298 180251891 /nfs/dbraw/zinc/25/18/91/180251891.db2.gz QVJBWHUCALCEMY-DZGCQCFKSA-N 1 0 270.332 2.197 10 0 CEAERO Cc1ccc(C)n1NC(=O)[C@H](C)CCC[C@@H](C)[NH3+] ZINC000091787726 180256377 /nfs/dbraw/zinc/25/63/77/180256377.db2.gz SZCLJNKXURDLLY-GHMZBOCLSA-N 1 0 251.374 2.329 10 0 CEAERO Cc1noc(CC[NH2+]Cc2cccc(Cl)c2)n1 ZINC000105470215 186059711 /nfs/dbraw/zinc/05/97/11/186059711.db2.gz BAGIRHDRNSVFHX-UHFFFAOYSA-N 1 0 251.717 2.364 10 0 CEAERO CCCN(C(=O)C(F)(F)F)C1CCC([NH3+])CC1 ZINC000091852083 180272814 /nfs/dbraw/zinc/27/28/14/180272814.db2.gz WKKVWKKUWMQUIJ-UHFFFAOYSA-N 1 0 252.280 2.057 10 0 CEAERO CCc1cc(C[N@H+](C)C2CCC(=O)CC2)n(CC)n1 ZINC000091854095 180273628 /nfs/dbraw/zinc/27/36/28/180273628.db2.gz ZQHJTYIIZNHSOQ-UHFFFAOYSA-N 1 0 263.385 2.409 10 0 CEAERO CCC(C)(C)NC(=O)Cn1ccc([C@@H](C)[NH2+]C)c1 ZINC000091804441 180259693 /nfs/dbraw/zinc/25/96/93/180259693.db2.gz WTYJZAGHHWKACS-LLVKDONJSA-N 1 0 251.374 2.073 10 0 CEAERO CCC[NH2+][C@H](C)c1cccn1CC(=O)N(C)C(C)C ZINC000091802779 180259887 /nfs/dbraw/zinc/25/98/87/180259887.db2.gz VHCFTGUFUOMNNP-CYBMUJFWSA-N 1 0 265.401 2.416 10 0 CEAERO C[C@H]([NH3+])c1ccn(CC(=O)Nc2ccc(F)cc2)c1 ZINC000091803358 180260077 /nfs/dbraw/zinc/26/00/77/180260077.db2.gz LRSLRBDTGUVLGM-JTQLQIEISA-N 1 0 261.300 2.286 10 0 CEAERO CCC[NH2+][C@@H](CC)c1ccn(CC(=O)N(C)CC)c1 ZINC000091818130 180262659 /nfs/dbraw/zinc/26/26/59/180262659.db2.gz ZWRDMUUKRHHNBI-AWEZNQCLSA-N 1 0 265.401 2.417 10 0 CEAERO CC[C@H]([NH2+]C)c1ccn(CC(=O)N2CCCCC2)c1 ZINC000091816661 180262671 /nfs/dbraw/zinc/26/26/71/180262671.db2.gz VHGVETXPXPUKGJ-AWEZNQCLSA-N 1 0 263.385 2.171 10 0 CEAERO CC[NH2+][C@@H](CC)c1ccn(CCCS(=O)(=O)CC)c1 ZINC000091817497 180263110 /nfs/dbraw/zinc/26/31/10/180263110.db2.gz MGLDOCMJHRYDIY-AWEZNQCLSA-N 1 0 286.441 2.374 10 0 CEAERO CC[NH2+][C@@H](CC)c1ccn(CCCC(=O)NC)c1 ZINC000091817157 180263265 /nfs/dbraw/zinc/26/32/65/180263265.db2.gz CJLGRORCVDRAHP-ZDUSSCGKSA-N 1 0 251.374 2.075 10 0 CEAERO CCC[C@@H]([NH2+]CC)c1ccn(CC(=O)N[C@H](C)COC)c1 ZINC000091823299 180263805 /nfs/dbraw/zinc/26/38/05/180263805.db2.gz HBOWGSSDBZFSLR-UKRRQHHQSA-N 1 0 295.427 2.090 10 0 CEAERO CCC[C@H]([NH2+]CC)c1ccn(CC(=O)N(C)C)c1 ZINC000091822577 180263870 /nfs/dbraw/zinc/26/38/70/180263870.db2.gz LYPCYIYQHMSZRK-ZDUSSCGKSA-N 1 0 251.374 2.027 10 0 CEAERO C[NH2+][C@H](c1ccn(CCCC(=O)N(C)C)c1)C(C)C ZINC000091827352 180264875 /nfs/dbraw/zinc/26/48/75/180264875.db2.gz WAEUIYRUIDIJPW-HNNXBMFYSA-N 1 0 265.401 2.273 10 0 CEAERO CC[NH2+][C@H](c1ccn(CC(=O)NCC2CC2)c1)C1CC1 ZINC000091838636 180268391 /nfs/dbraw/zinc/26/83/91/180268391.db2.gz LXBXRFNVFHHALJ-INIZCTEOSA-N 1 0 275.396 2.075 10 0 CEAERO CCN(C(=O)c1cc(Cl)c[nH]1)C1CCC([NH3+])CC1 ZINC000091850118 180272298 /nfs/dbraw/zinc/27/22/98/180272298.db2.gz IBKYIZIXIOZJNL-UHFFFAOYSA-N 1 0 269.776 2.400 10 0 CEAERO CCCC1CCC(C[NH3+])([C@H](O)c2cncn2C)CC1 ZINC000091926059 180287627 /nfs/dbraw/zinc/28/76/27/180287627.db2.gz OTHQUFZSKYCCEC-HNFVBEJKSA-N 1 0 265.401 2.389 10 0 CEAERO Cc1nc([C@@H]2COc3ccccc3O2)sc1CC[NH3+] ZINC000091960371 180292748 /nfs/dbraw/zinc/29/27/48/180292748.db2.gz LJVPSTGXHBPVHH-LBPRGKRZSA-N 1 0 276.361 2.465 10 0 CEAERO CCCN(C(=O)N1CCCC1)C1(C[NH3+])CCCC1 ZINC000091963138 180292984 /nfs/dbraw/zinc/29/29/84/180292984.db2.gz UDXUZNNPNVUUHS-UHFFFAOYSA-N 1 0 253.390 2.186 10 0 CEAERO [NH3+]CCCN(C(=O)N1CCCC1)c1ccccc1F ZINC000091962954 180293021 /nfs/dbraw/zinc/29/30/21/180293021.db2.gz KJQVDSSSGFVGGO-UHFFFAOYSA-N 1 0 265.332 2.197 10 0 CEAERO CCS(=O)(=O)c1ccccc1NC1CCC([NH2+]C)CC1 ZINC000091873561 180277925 /nfs/dbraw/zinc/27/79/25/180277925.db2.gz GUKQLLBWAYDIOJ-UHFFFAOYSA-N 1 0 296.436 2.423 10 0 CEAERO CCCC1CCC(O)(C2(C[NH3+])CCOCC2)CC1 ZINC000091904770 180284122 /nfs/dbraw/zinc/28/41/22/180284122.db2.gz WWACUSCDGDYYOG-UHFFFAOYSA-N 1 0 255.402 2.463 10 0 CEAERO CC[C@H](C[NH3+])[C@@H](O)c1ccc(OC)c(OC(F)F)c1 ZINC000091909138 180284606 /nfs/dbraw/zinc/28/46/06/180284606.db2.gz RTVSLLIOHGQNKN-PRHODGIISA-N 1 0 275.295 2.315 10 0 CEAERO CCOc1cc2c(cc1[C@H](O)[C@H](CC)C[NH3+])O[C@@H](C)C2 ZINC000091909270 180284631 /nfs/dbraw/zinc/28/46/31/180284631.db2.gz DAAKQFCQFSGINA-LYOVBCGYSA-N 1 0 279.380 2.427 10 0 CEAERO [NH3+]C[C@]1([C@@H](O)c2c(Cl)cccc2Cl)CCOC1 ZINC000091909861 180284645 /nfs/dbraw/zinc/28/46/45/180284645.db2.gz GHJFEMINGMKYKT-NWDGAFQWSA-N 1 0 276.163 2.392 10 0 CEAERO CC[C@@H](C[NH3+])[C@H](O)c1cc2c(c(Cl)c1)OCO2 ZINC000091909963 180284783 /nfs/dbraw/zinc/28/47/83/180284783.db2.gz SYVVISDWGDEGBQ-CPCISQLKSA-N 1 0 257.717 2.087 10 0 CEAERO CC[C@@](C)(C[NH3+])[C@H](O)c1cnn(-c2ccccc2)c1 ZINC000091909363 180284862 /nfs/dbraw/zinc/28/48/62/180284862.db2.gz VYEYRIPVTAFPKU-CABCVRRESA-N 1 0 259.353 2.281 10 0 CEAERO [NH3+]C[C@]1([C@@H](O)c2ccoc2)CCc2ccccc2C1 ZINC000091912604 180285049 /nfs/dbraw/zinc/28/50/49/180285049.db2.gz NBMWBUDHRTUCMC-HOTGVXAUSA-N 1 0 257.333 2.447 10 0 CEAERO CC[C@H](C[NH3+])[C@@H](O)c1ccc(OC)c(OC)c1Cl ZINC000091912694 180285056 /nfs/dbraw/zinc/28/50/56/180285056.db2.gz UHWZTBYIOVFUCO-PRHODGIISA-N 1 0 273.760 2.376 10 0 CEAERO [NH3+]C[C@]1([C@H](O)c2cc(Cl)cc(Cl)c2)CCOC1 ZINC000091913082 180285185 /nfs/dbraw/zinc/28/51/85/180285185.db2.gz ILTOVXCQOYMTRL-VXGBXAGGSA-N 1 0 276.163 2.392 10 0 CEAERO [NH3+]C[C@]1([C@H](O)C2CCCC2)COc2ccccc2C1 ZINC000091913244 180285225 /nfs/dbraw/zinc/28/52/25/180285225.db2.gz VUYXQYVGRSBZGE-CVEARBPZSA-N 1 0 261.365 2.118 10 0 CEAERO [NH3+]C[C@@]1([C@@]2(O)CCCOCC2)CCc2ccccc2C1 ZINC000091922871 180286653 /nfs/dbraw/zinc/28/66/53/180286653.db2.gz DPDMOPDLHLMQLX-IAGOWNOFSA-N 1 0 275.392 2.052 10 0 CEAERO CC[C@H]1CC[C@@](C[NH3+])(C2(O)CN(C(=O)OC(C)(C)C)C2)C1 ZINC000091925220 180287429 /nfs/dbraw/zinc/28/74/29/180287429.db2.gz RAUKSLVYHFVZCZ-SWLSCSKDSA-N 1 0 298.427 2.123 10 0 CEAERO C[C@@H]1CCC[C@@H](CNC(=O)N2CCCCCC2)[NH2+]1 ZINC000091971213 180295097 /nfs/dbraw/zinc/29/50/97/180295097.db2.gz IPXPLLCDXYUQBL-OLZOCXBDSA-N 1 0 253.390 2.103 10 0 CEAERO CCN1CCO[C@H](C[N@H+](CC)C2(CN)CCCCCC2)C1 ZINC000092051567 180312673 /nfs/dbraw/zinc/31/26/73/180312673.db2.gz PHDILQDKWXYKSO-INIZCTEOSA-N 1 0 297.487 2.081 10 0 CEAERO CC[C@@H]([NH2+]C)c1ccc(OC[C@H]2CN(CC)CCO2)cc1 ZINC000092051173 180312889 /nfs/dbraw/zinc/31/28/89/180312889.db2.gz YVJHKSJFJCBEIL-IAGOWNOFSA-N 1 0 292.423 2.457 10 0 CEAERO CCC[N@H+](C[C@@H]1CN(C)CCO1)C1(CN)CCCCCC1 ZINC000092054903 180313806 /nfs/dbraw/zinc/31/38/06/180313806.db2.gz JNYGTPURVQYGBI-INIZCTEOSA-N 1 0 297.487 2.081 10 0 CEAERO CC1CCC(CC[NH2+]C[C@@H]2CN(C)CCO2)CC1 ZINC000092055974 180314024 /nfs/dbraw/zinc/31/40/24/180314024.db2.gz VCUIWNKNPUKKLT-YMAMQOFZSA-N 1 0 254.418 2.123 10 0 CEAERO C[C@H]1CCCN(C(=O)N(C)C2CCC([NH3+])CC2)C1 ZINC000091972078 180295435 /nfs/dbraw/zinc/29/54/35/180295435.db2.gz MBKBDQABAFOAOX-HIFPTAJRSA-N 1 0 253.390 2.040 10 0 CEAERO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)N1CCCCCC1 ZINC000091971611 180295618 /nfs/dbraw/zinc/29/56/18/180295618.db2.gz YVULULUUZQWXGH-OLZOCXBDSA-N 1 0 253.390 2.184 10 0 CEAERO O=C(N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)N1CCCCCC1 ZINC000091971569 180295681 /nfs/dbraw/zinc/29/56/81/180295681.db2.gz KIDDXIVNPXTQOS-GJZGRUSLSA-N 1 0 279.428 2.446 10 0 CEAERO NC(=[NH2+])c1cccc(NC(=O)N2CCCCCC2)c1 ZINC000091971989 180295751 /nfs/dbraw/zinc/29/57/51/180295751.db2.gz OIDPXPCZTLWTQX-UHFFFAOYSA-N 1 0 260.341 2.379 10 0 CEAERO C[C@@H]1CCCN(C(=O)N(CCC[NH3+])Cc2cccnc2)C1 ZINC000091972544 180296114 /nfs/dbraw/zinc/29/61/14/180296114.db2.gz ZLOLPTBXIHTOFP-CQSZACIVSA-N 1 0 290.411 2.084 10 0 CEAERO C[C@H]([NH3+])c1csc(NC(=O)N2CCC[C@@H](C)C2)n1 ZINC000091973016 180296385 /nfs/dbraw/zinc/29/63/85/180296385.db2.gz CBLGDIJANNRTHF-BDAKNGLRSA-N 1 0 268.386 2.427 10 0 CEAERO C[C@H]1CCCN(C(=O)Nc2nc3c(s2)C[NH2+]CC3)C1 ZINC000091990535 180299803 /nfs/dbraw/zinc/29/98/03/180299803.db2.gz VQGXENKVBVFRBI-VIFPVBQESA-N 1 0 280.397 2.053 10 0 CEAERO CC1CCC(NC(=O)N2CCC[C@H](C)C2)(C(N)=[NH2+])CC1 ZINC000091993349 180300464 /nfs/dbraw/zinc/30/04/64/180300464.db2.gz RWISVHGHBXBSNS-AVERBVTBSA-N 1 0 280.416 2.313 10 0 CEAERO C[C@@H]1CCCN(C(=O)NC2(C(N)=[NH2+])CCCCCC2)C1 ZINC000091993353 180300480 /nfs/dbraw/zinc/30/04/80/180300480.db2.gz BLLYAIABZFFYBH-GFCCVEGCSA-N 1 0 280.416 2.457 10 0 CEAERO C[C@@H]1CCCN(C(=O)Nc2ccc(C(N)=[NH2+])cc2)C1 ZINC000091993276 180300499 /nfs/dbraw/zinc/30/04/99/180300499.db2.gz XLYOZRWFCHQBGO-SNVBAGLBSA-N 1 0 260.341 2.234 10 0 CEAERO CC1CCN(C(=O)N(CC(N)=[NH2+])C2CCCC2)CC1 ZINC000091993446 180300501 /nfs/dbraw/zinc/30/05/01/180300501.db2.gz IQHDKNOWPKOHBY-UHFFFAOYSA-N 1 0 266.389 2.019 10 0 CEAERO CC1CCN(C(=O)N[C@@H]2c3ccccc3C[C@H]2[NH3+])CC1 ZINC000091993159 180300556 /nfs/dbraw/zinc/30/05/56/180300556.db2.gz HSLQLURAHGSVQR-HUUCEWRRSA-N 1 0 273.380 2.053 10 0 CEAERO CC1CCN(C(=O)N[C@@]2(C[NH3+])CCC[C@@H](C)C2)CC1 ZINC000091993185 180300594 /nfs/dbraw/zinc/30/05/94/180300594.db2.gz XADLDBIPDODDPH-HIFRSBDPSA-N 1 0 267.417 2.336 10 0 CEAERO CC1CCN(C(=O)N(C)c2ccc(C(N)=[NH2+])cc2)CC1 ZINC000091993401 180300639 /nfs/dbraw/zinc/30/06/39/180300639.db2.gz VNPFOYHBGTWTKF-UHFFFAOYSA-N 1 0 274.368 2.259 10 0 CEAERO COc1ccccc1COc1ccc(C)nc1C[NH3+] ZINC000091993683 180300887 /nfs/dbraw/zinc/30/08/87/180300887.db2.gz KPHGYXIMEQFJSM-UHFFFAOYSA-N 1 0 258.321 2.436 10 0 CEAERO Cc1ccc(O)c(C[NH2+][C@@H]2CCC[C@H]2n2ccnc2)n1 ZINC000091994161 180301011 /nfs/dbraw/zinc/30/10/11/180301011.db2.gz ZJHBQIVWUYZJRG-TZMCWYRMSA-N 1 0 272.352 2.176 10 0 CEAERO Cc1ccc(OCCCOCC(F)(F)F)c(C[NH3+])n1 ZINC000091994007 180301140 /nfs/dbraw/zinc/30/11/40/180301140.db2.gz IWBYURROCOXEET-UHFFFAOYSA-N 1 0 278.274 2.197 10 0 CEAERO CC[NH2+]Cc1nc(C)ccc1OCc1ncc(Cl)n1C ZINC000091994661 180301241 /nfs/dbraw/zinc/30/12/41/180301241.db2.gz MWHLYECCZKJQGT-UHFFFAOYSA-N 1 0 294.786 2.465 10 0 CEAERO C/C=C/COc1ccc(C)nc1C[NH2+]CCOC ZINC000091996650 180302231 /nfs/dbraw/zinc/30/22/31/180302231.db2.gz MMYQUQIOMFLGGX-SNAWJCMRSA-N 1 0 250.342 2.081 10 0 CEAERO CCCNC(=O)COc1ccc(C)nc1C[NH2+]C(C)(C)C ZINC000091996222 180302414 /nfs/dbraw/zinc/30/24/14/180302414.db2.gz FJGYDMKLODSKKN-UHFFFAOYSA-N 1 0 293.411 2.183 10 0 CEAERO Cc1ccc(OCCOCC(F)(F)F)c(C[C@@H](C)[NH3+])n1 ZINC000092000152 180303516 /nfs/dbraw/zinc/30/35/16/180303516.db2.gz RNDMSLJPXOKTLH-SECBINFHSA-N 1 0 292.301 2.237 10 0 CEAERO CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)C[NH2+]C ZINC000092132633 180330720 /nfs/dbraw/zinc/33/07/20/180330720.db2.gz BMUWEOFMAKRNAI-VXGBXAGGSA-N 1 0 291.395 2.009 10 0 CEAERO CC[NH2+][C@H](Cc1cc(C)nn1CC)C(C)(C)OC ZINC000092139558 180333547 /nfs/dbraw/zinc/33/35/47/180333547.db2.gz GMNOLJWLALSYBZ-CYBMUJFWSA-N 1 0 253.390 2.157 10 0 CEAERO COC(C)(C)c1noc([C@@H]2CCCC[C@H]2C[NH3+])n1 ZINC000092138092 180333713 /nfs/dbraw/zinc/33/37/13/180333713.db2.gz VGUTVWQNVSYUAZ-VHSXEESVSA-N 1 0 253.346 2.184 10 0 CEAERO C[NH2+]C1(Cc2nc(C(C)(C)OC)no2)CCCCC1 ZINC000092137840 180333781 /nfs/dbraw/zinc/33/37/81/180333781.db2.gz QCIMGKCWSWMFOS-UHFFFAOYSA-N 1 0 267.373 2.416 10 0 CEAERO C[C@@H]1C[NH+]([C@@H](CN)c2ccc3c(c2)CCO3)C[C@H]1C ZINC000092083609 180320347 /nfs/dbraw/zinc/32/03/47/180320347.db2.gz JZSOABACIKELBI-JMSVASOKSA-N 1 0 260.381 2.209 10 0 CEAERO C[C@H]1C[NH+](CCOc2cccc(C(N)=S)c2)C[C@@H]1C ZINC000092085443 180320555 /nfs/dbraw/zinc/32/05/55/180320555.db2.gz GXUVIQHFTVRWIS-RYUDHWBXSA-N 1 0 278.421 2.287 10 0 CEAERO COCC[NH2+]Cc1sc(N2C[C@H](C)[C@@H](C)C2)nc1C ZINC000092089813 180321436 /nfs/dbraw/zinc/32/14/36/180321436.db2.gz XCUYUCQSUJHIQH-QWRGUYRKSA-N 1 0 283.441 2.280 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)Nc2ccc(Br)cc2F)C1 ZINC000092201298 180342746 /nfs/dbraw/zinc/34/27/46/180342746.db2.gz ZWMJUAJGZBSODF-IONNQARKSA-N 1 0 299.143 2.430 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)N(Cc2ccccc2)C2CC2)C1 ZINC000092202024 180342751 /nfs/dbraw/zinc/34/27/51/180342751.db2.gz MTCCXJCNLQCVRX-KBPBESRZSA-N 1 0 256.349 2.081 10 0 CEAERO COc1ccc2nc(NC(=O)[C@@H]3C=C[C@@H]([NH3+])C3)sc2c1 ZINC000092201432 180342786 /nfs/dbraw/zinc/34/27/86/180342786.db2.gz CEPPRDINALMLDU-RKDXNWHRSA-N 1 0 289.360 2.147 10 0 CEAERO COc1ccc(Cl)cc1NC(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092201399 180342901 /nfs/dbraw/zinc/34/29/01/180342901.db2.gz SKLXCNRAJGKKFR-WCBMZHEXSA-N 1 0 266.728 2.191 10 0 CEAERO C[C@H](NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1)c1ccc(Cl)s1 ZINC000092202957 180343334 /nfs/dbraw/zinc/34/33/34/180343334.db2.gz BWQAQQAQWHIRHM-DJLDLDEBSA-N 1 0 270.785 2.482 10 0 CEAERO CC(=O)Nc1ccc(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)cc1Cl ZINC000092202894 180343495 /nfs/dbraw/zinc/34/34/95/180343495.db2.gz LWZGHKZWDPQQPC-ZJUUUORDSA-N 1 0 293.754 2.140 10 0 CEAERO CC(C)C(=O)Nc1cccc(NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)c1 ZINC000092203476 180343540 /nfs/dbraw/zinc/34/35/40/180343540.db2.gz NVSGTIXMSJSPCX-VXGBXAGGSA-N 1 0 287.363 2.123 10 0 CEAERO CN(CCOc1ccc(Cl)cc1)C(=O)[C@H]1C=C[C@H]([NH3+])C1 ZINC000092204443 180343637 /nfs/dbraw/zinc/34/36/37/180343637.db2.gz FUJTVFUFWXFWIJ-AAEUAGOBSA-N 1 0 294.782 2.081 10 0 CEAERO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092204738 180343651 /nfs/dbraw/zinc/34/36/51/180343651.db2.gz PHFBSQZSYAGKOP-ADEWGFFLSA-N 1 0 280.318 2.388 10 0 CEAERO C[C@H](NC(=O)[C@H]1C=C[C@@H]([NH3+])C1)c1c(F)cccc1F ZINC000092204087 180343953 /nfs/dbraw/zinc/34/39/53/180343953.db2.gz VTRUFCAZNXVORN-LPEHRKFASA-N 1 0 266.291 2.045 10 0 CEAERO Cc1ccc(CN(C(=O)[C@@H]2C=C[C@H]([NH3+])C2)C2CC2)cc1 ZINC000092204960 180344206 /nfs/dbraw/zinc/34/42/06/180344206.db2.gz SJPIJCWFIPTZMJ-CABCVRRESA-N 1 0 270.376 2.389 10 0 CEAERO CCC1CCC(N(C)C(=O)[C@H]2C=C[C@H]([NH3+])C2)CC1 ZINC000092205806 180344291 /nfs/dbraw/zinc/34/42/91/180344291.db2.gz LOJAPAYLEWQDPI-QPPOZKHWSA-N 1 0 250.386 2.317 10 0 CEAERO CCC1CCC(CNC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)CC1 ZINC000092205758 180344298 /nfs/dbraw/zinc/34/42/98/180344298.db2.gz YBHLELJXIHOFCJ-NWINJMCUSA-N 1 0 250.386 2.222 10 0 CEAERO C[C@H](CCNC(=O)[C@H]1C=C[C@@H]([NH3+])C1)c1ccccc1 ZINC000092207458 180344319 /nfs/dbraw/zinc/34/43/19/180344319.db2.gz NJLLJEOURAYNEQ-VHDGCEQUSA-N 1 0 258.365 2.200 10 0 CEAERO CCOC(=O)c1cc(C)sc1NC(=O)[C@H]1C=C[C@H]([NH3+])C1 ZINC000092207667 180344861 /nfs/dbraw/zinc/34/48/61/180344861.db2.gz YYSPLDIOLAQBML-UWVGGRQHSA-N 1 0 294.376 2.075 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CSc2ccccc21 ZINC000092239332 180350850 /nfs/dbraw/zinc/35/08/50/180350850.db2.gz VGSNRZGEUSNXAM-OCCSQVGLSA-N 1 0 290.432 2.476 10 0 CEAERO CCN(C(=O)[C@@H]1CSc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000092239455 180351074 /nfs/dbraw/zinc/35/10/74/180351074.db2.gz ZQKQQOKBEROZPU-TZMCWYRMSA-N 1 0 290.432 2.476 10 0 CEAERO NC(=O)C1CCC([NH2+]CCSc2ccccc2)CC1 ZINC000092242916 180351652 /nfs/dbraw/zinc/35/16/52/180351652.db2.gz KZXSLPCRUHQODC-UHFFFAOYSA-N 1 0 278.421 2.412 10 0 CEAERO C[C@@H](C[NH3+])c1noc([C@@H]2CSc3ccccc32)n1 ZINC000092240228 180351724 /nfs/dbraw/zinc/35/17/24/180351724.db2.gz UHDVXQBEJBKLIR-WCBMZHEXSA-N 1 0 261.350 2.369 10 0 CEAERO [NH3+]CCCc1noc([C@@H]2CSc3ccccc32)n1 ZINC000092240226 180351841 /nfs/dbraw/zinc/35/18/41/180351841.db2.gz KKBDIXHMHKQYRA-SNVBAGLBSA-N 1 0 261.350 2.199 10 0 CEAERO C[NH2+]CCCc1nnc([C@@H]2CSc3ccccc32)o1 ZINC000092240326 180351850 /nfs/dbraw/zinc/35/18/50/180351850.db2.gz OJSQZLUGBRGKDQ-LLVKDONJSA-N 1 0 275.377 2.459 10 0 CEAERO CC[C@H]1C[NH2+]CCN1C[C@@H]1Cc2ccccc2S1 ZINC000092263339 180354867 /nfs/dbraw/zinc/35/48/67/180354867.db2.gz KMNLUTBHFOBKKD-KBPBESRZSA-N 1 0 262.422 2.387 10 0 CEAERO COC(=O)CC[N@H+](C)C[C@H]1Cc2ccccc2S1 ZINC000092270222 180355640 /nfs/dbraw/zinc/35/56/40/180355640.db2.gz JDDUFAFFSXYFHP-GFCCVEGCSA-N 1 0 265.378 2.198 10 0 CEAERO OC[C@H]1CCC[N@H+](C[C@@H]2Cc3ccccc3S2)C1 ZINC000092270242 180355648 /nfs/dbraw/zinc/35/56/48/180355648.db2.gz ULRNLCXXKGTKRX-JSGCOSHPSA-N 1 0 263.406 2.408 10 0 CEAERO C[C@@]1([NH2+]C[C@H]2CSc3ccccc32)CCS(=O)(=O)C1 ZINC000092275309 180356324 /nfs/dbraw/zinc/35/63/24/180356324.db2.gz JFHVUADXTJAJIU-SMDDNHRTSA-N 1 0 297.445 2.043 10 0 CEAERO Cc1nn(C[C@H]2Cc3ccccc3S2)cc1C[NH3+] ZINC000092271858 180356469 /nfs/dbraw/zinc/35/64/69/180356469.db2.gz AKCXTSWALBZQIP-CYBMUJFWSA-N 1 0 259.378 2.367 10 0 CEAERO COC(=O)CC[NH2+]C[C@H]1CSc2ccccc21 ZINC000092274937 180356582 /nfs/dbraw/zinc/35/65/82/180356582.db2.gz DZGKRWULFMPWLA-JTQLQIEISA-N 1 0 251.351 2.029 10 0 CEAERO c1ccc2c(c1)OC[C@@H]2CN1CCC[NH2+][C@H](C2CC2)C1 ZINC000092307404 180360504 /nfs/dbraw/zinc/36/05/04/180360504.db2.gz OYUKBJORPBVREE-HOCLYGCPSA-N 1 0 272.392 2.237 10 0 CEAERO c1cn(C[C@@H]2COc3ccccc32)c(C[NH2+]C2CC2)n1 ZINC000092304795 180360526 /nfs/dbraw/zinc/36/05/26/180360526.db2.gz HBTDBBHUZOLNIC-GFCCVEGCSA-N 1 0 269.348 2.311 10 0 CEAERO Cc1cnn(CC[NH2+]Cc2ccncc2Br)c1 ZINC000625147455 350415209 /nfs/dbraw/zinc/41/52/09/350415209.db2.gz SDZOUXOSDUPPQX-UHFFFAOYSA-N 1 0 295.184 2.139 10 0 CEAERO c1cnn(CC2CC[NH+](C[C@H]3CCCCO3)CC2)c1 ZINC000105886170 186082740 /nfs/dbraw/zinc/08/27/40/186082740.db2.gz YJSVRJSXUOMQOS-OAHLLOKOSA-N 1 0 263.385 2.164 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)OCc2ccc(Cl)cc2)C1 ZINC000092177605 180337430 /nfs/dbraw/zinc/33/74/30/180337430.db2.gz ARSGMKFRTJPAQC-PWSUYJOCSA-N 1 0 251.713 2.287 10 0 CEAERO [NH3+][C@H]1C=C[C@H](c2nc(-c3ccc(F)c(F)c3)no2)C1 ZINC000092181479 180338277 /nfs/dbraw/zinc/33/82/77/180338277.db2.gz RBQZIBRZVZAJCB-IUCAKERBSA-N 1 0 263.247 2.386 10 0 CEAERO CC[C@H]([NH3+])Cc1nccn1C[C@@H]1COc2ccccc21 ZINC000092306326 180360599 /nfs/dbraw/zinc/36/05/99/180360599.db2.gz MOIAXUDKQUKWGG-OLZOCXBDSA-N 1 0 271.364 2.339 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](c2nc(Cc3ccc(F)cc3F)no2)C1 ZINC000092181944 180338971 /nfs/dbraw/zinc/33/89/71/180338971.db2.gz URMPRNKQKZVJIL-GXSJLCMTSA-N 1 0 277.274 2.309 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C)CN1C[C@@H]1COc2ccccc21 ZINC000092307275 180360751 /nfs/dbraw/zinc/36/07/51/180360751.db2.gz DISPXXDJKFJSBD-MGPQQGTHSA-N 1 0 260.381 2.235 10 0 CEAERO CC[NH2+][C@H](CN1C(=O)C[C@H](C)C1=O)c1ccc(C)cc1C ZINC000105832579 186076688 /nfs/dbraw/zinc/07/66/88/186076688.db2.gz LBHSNNSPSXNVOQ-DZGCQCFKSA-N 1 0 288.391 2.349 10 0 CEAERO COc1ccccc1[C@H](C)NC(=O)C[NH2+]C(C)(C)C ZINC000105854765 186078478 /nfs/dbraw/zinc/07/84/78/186078478.db2.gz OUKBBDANOWYSOZ-NSHDSACASA-N 1 0 264.369 2.261 10 0 CEAERO C[C@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000106424468 186116525 /nfs/dbraw/zinc/11/65/25/186116525.db2.gz DKUQHOMCEXNWNM-GOEBONIOSA-N 1 0 274.408 2.418 10 0 CEAERO CCOCC[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000105922300 186090220 /nfs/dbraw/zinc/09/02/20/186090220.db2.gz LNKRYKVUYVVNOG-CYBMUJFWSA-N 1 0 251.374 2.210 10 0 CEAERO COc1ccccc1-n1nc(C)c(C[C@@H](C)[NH3+])c1C ZINC000092320062 180361977 /nfs/dbraw/zinc/36/19/77/180361977.db2.gz AILFXUNHPAGJEA-SNVBAGLBSA-N 1 0 259.353 2.387 10 0 CEAERO C[C@@H](c1ccccc1F)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105924565 186091551 /nfs/dbraw/zinc/09/15/51/186091551.db2.gz BRBPWRZUHQZYBD-QWHCGFSZSA-N 1 0 266.360 2.149 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+]Cc1c(C)nn(C)c1C ZINC000092324507 180362245 /nfs/dbraw/zinc/36/22/45/180362245.db2.gz FDFGKTRCUBWQLC-UHFFFAOYSA-N 1 0 292.408 2.347 10 0 CEAERO Cc1nn(-c2nc3ccccc3[nH]2)c(C)c1CCC[NH3+] ZINC000092323632 180362446 /nfs/dbraw/zinc/36/24/46/180362446.db2.gz CXJTWBWTSQBOKW-UHFFFAOYSA-N 1 0 269.352 2.257 10 0 CEAERO CCC[C@]1(C(=O)N[C@@H](C)c2c(C)noc2C)CC[NH2+]C1 ZINC000092329796 180363884 /nfs/dbraw/zinc/36/38/84/180363884.db2.gz MAACNMOPUIYZFP-BONVTDFDSA-N 1 0 279.384 2.248 10 0 CEAERO CCC[C@@H](CC[NH3+])CCC(=O)NCc1c(C)noc1C ZINC000092330441 180364039 /nfs/dbraw/zinc/36/40/39/180364039.db2.gz SGDJHEWPVISNLI-CYBMUJFWSA-N 1 0 281.400 2.453 10 0 CEAERO CCOC(=O)C[C@@H]([NH3+])c1cc(C)nc2ccccc21 ZINC000092344491 180366201 /nfs/dbraw/zinc/36/62/01/180366201.db2.gz YOGNSEJUTFDXQK-CYBMUJFWSA-N 1 0 258.321 2.496 10 0 CEAERO COCC[NH2+]CCN(C)Cc1cc(C)nc2ccccc12 ZINC000092348438 180367018 /nfs/dbraw/zinc/36/70/18/180367018.db2.gz UFASSZWYBNMCTB-UHFFFAOYSA-N 1 0 287.407 2.211 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(Cc2cccc(NC)n2)CC1 ZINC000092370245 180369787 /nfs/dbraw/zinc/36/97/87/180369787.db2.gz KODNRBDDFHPYIQ-CYBMUJFWSA-N 1 0 262.401 2.039 10 0 CEAERO COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)C1CC1)CCC2 ZINC000092384017 180372349 /nfs/dbraw/zinc/37/23/49/180372349.db2.gz UWKMVGYLQMYRSB-HOTGVXAUSA-N 1 0 261.365 2.433 10 0 CEAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@@H](Sc1nnc(C)o1)CC2 ZINC000092389897 180375351 /nfs/dbraw/zinc/37/53/51/180375351.db2.gz DLOJJQKHVBPIFI-QWHCGFSZSA-N 1 0 291.376 2.494 10 0 CEAERO Cc1ncc(C[NH2+][C@H](CO)C(C)C)n1-c1ccccc1 ZINC000092394074 180376693 /nfs/dbraw/zinc/37/66/93/180376693.db2.gz MEDBDWSNHPDNTF-MRXNPFEDSA-N 1 0 273.380 2.287 10 0 CEAERO CCC[C@@H](CC)[NH2+][C@H]1CC(=O)N(C2CCCC2)C1=O ZINC000106534176 186125703 /nfs/dbraw/zinc/12/57/03/186125703.db2.gz QJZRGSVVJPLUSV-YPMHNXCESA-N 1 0 266.385 2.225 10 0 CEAERO CCNc1cc[nH+]c(CN2CCSC[C@@H]2C)c1 ZINC000092419284 180381935 /nfs/dbraw/zinc/38/19/35/180381935.db2.gz STZRZZMVWAVCLK-NSHDSACASA-N 1 0 251.399 2.451 10 0 CEAERO CCCNc1cc[nH+]c(Cn2c(C)csc2=O)c1 ZINC000092419665 180382000 /nfs/dbraw/zinc/38/20/00/180382000.db2.gz NINZSBQKQKLURE-UHFFFAOYSA-N 1 0 263.366 2.483 10 0 CEAERO CNc1cc[nH+]c(CSc2ncnc3[nH]cnc32)c1 ZINC000092420947 180382154 /nfs/dbraw/zinc/38/21/54/180382154.db2.gz WLWFMDHQBSWPGT-UHFFFAOYSA-N 1 0 272.337 2.082 10 0 CEAERO CCCC[C@H](C)[NH2+][C@H]1CC(=O)N(c2ccccc2)C1=O ZINC000106785119 186135159 /nfs/dbraw/zinc/13/51/59/186135159.db2.gz HBIUIPRYRAAHBI-JSGCOSHPSA-N 1 0 274.364 2.487 10 0 CEAERO COc1cc(-c2[nH+]c(C)n(C)c2N)cc(OC)c1OC ZINC000106830834 186137689 /nfs/dbraw/zinc/13/76/89/186137689.db2.gz TYYDJPXRDJPKEA-UHFFFAOYSA-N 1 0 277.324 2.004 10 0 CEAERO COc1ccc2c(c1)[C@@](CN)([NH+]1CCCC1)CCC2 ZINC000092384533 180373541 /nfs/dbraw/zinc/37/35/41/180373541.db2.gz RSBSRIXDRFCESQ-MRXNPFEDSA-N 1 0 260.381 2.281 10 0 CEAERO CCOCC[N@H+](CC)[C@@H]1CCc2ccc(OC)cc2[C@@H]1N ZINC000092385864 180373961 /nfs/dbraw/zinc/37/39/61/180373961.db2.gz UNUVVOGETLYDCQ-SJORKVTESA-N 1 0 292.423 2.368 10 0 CEAERO COc1cc(C(C)C)ccc1NC(=O)CCC[NH3+] ZINC000107294677 186167610 /nfs/dbraw/zinc/16/76/10/186167610.db2.gz GLKWDADAXISCMU-UHFFFAOYSA-N 1 0 250.342 2.496 10 0 CEAERO C(COC1CCOCC1)[NH2+]C1(C2CCC2)CCC1 ZINC000625468345 350509918 /nfs/dbraw/zinc/50/99/18/350509918.db2.gz WBAZGAAEQKKWBU-UHFFFAOYSA-N 1 0 253.386 2.494 10 0 CEAERO Cc1cccc(CN2C[C@@H](C)[NH2+]CC23CCCC3)n1 ZINC000092433181 180384310 /nfs/dbraw/zinc/38/43/10/180384310.db2.gz VNLXASMZTTVBEZ-CQSZACIVSA-N 1 0 259.397 2.497 10 0 CEAERO CCC[NH+]1CCC(n2c(N)nc3cc(C)cnc32)CC1 ZINC000092558192 180405306 /nfs/dbraw/zinc/40/53/06/180405306.db2.gz QGKJIFFRBWQZMX-UHFFFAOYSA-N 1 0 273.384 2.369 10 0 CEAERO S=c1[nH]c2cnccc2n1[C@@H]1C[NH+]2CCC1CC2 ZINC000092514186 180399966 /nfs/dbraw/zinc/39/99/66/180399966.db2.gz BFTVYPHHZHLWIQ-GFCCVEGCSA-N 1 0 260.366 2.361 10 0 CEAERO CC(C)[C@H]1C(=O)NC(=O)C[C@]12CCC[N@@H+](C(C)C)CC2 ZINC000092689882 180429772 /nfs/dbraw/zinc/42/97/72/180429772.db2.gz QDBMMACKIXPXPR-GOEBONIOSA-N 1 0 280.412 2.186 10 0 CEAERO CSC[C@H](C)C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000108959170 186238113 /nfs/dbraw/zinc/23/81/13/186238113.db2.gz GDRIMGYSSLVHQX-JSGCOSHPSA-N 1 0 280.437 2.405 10 0 CEAERO C[C@@H](c1ncc(-c2ccccc2)cn1)N1CC[NH2+]CC1 ZINC000109475623 186255408 /nfs/dbraw/zinc/25/54/08/186255408.db2.gz KJVSKDXEKRIYDF-ZDUSSCGKSA-N 1 0 268.364 2.110 10 0 CEAERO COc1ccc(-c2noc([C@H]3CCC[C@@H]3[NH3+])n2)cc1OC ZINC000109505614 186257368 /nfs/dbraw/zinc/25/73/68/186257368.db2.gz IPCAHGOCALLXQC-QWRGUYRKSA-N 1 0 289.335 2.349 10 0 CEAERO COC[C@@H]([NH3+])Cc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000109506079 186257406 /nfs/dbraw/zinc/25/74/06/186257406.db2.gz BZLZFTZKOOCTQP-ZDUSSCGKSA-N 1 0 275.352 2.376 10 0 CEAERO C[NH2+][C@@H](Cc1nc(-c2ccccc2OC)no1)C1CC1 ZINC000109503895 186257419 /nfs/dbraw/zinc/25/74/19/186257419.db2.gz RYWSITBUIGXDIN-LBPRGKRZSA-N 1 0 273.336 2.286 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1c1nc(Cc2cccnc2)no1 ZINC000109510582 186258095 /nfs/dbraw/zinc/25/80/95/186258095.db2.gz YPQUQKZMRXTWPS-RYUDHWBXSA-N 1 0 258.325 2.040 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1c1nc(COc2ccccc2)no1 ZINC000109509269 186258460 /nfs/dbraw/zinc/25/84/60/186258460.db2.gz YOZLPHTVCRXGOZ-NWDGAFQWSA-N 1 0 259.309 2.243 10 0 CEAERO C[NH2+][C@H](Cc1nc(Cc2cc(F)cc(F)c2)no1)C1CC1 ZINC000109516969 186258742 /nfs/dbraw/zinc/25/87/42/186258742.db2.gz KHGWSQWARIYXBY-CYBMUJFWSA-N 1 0 293.317 2.479 10 0 CEAERO CCC[NH2+]C1CCC(c2nc(COC)no2)CC1 ZINC000109518941 186258757 /nfs/dbraw/zinc/25/87/57/186258757.db2.gz QSLGGJRZIUXORZ-UHFFFAOYSA-N 1 0 253.346 2.242 10 0 CEAERO CC[NH+](CC)CCc1nc(N)c2c(n1)CCCCC2 ZINC000109521787 186259222 /nfs/dbraw/zinc/25/92/22/186259222.db2.gz JJRRFPBZYLOLSH-UHFFFAOYSA-N 1 0 262.401 2.212 10 0 CEAERO C[NH2+][C@@H](Cc1nc(Cc2ccc(OC)cc2)no1)C(C)C ZINC000109520864 186259262 /nfs/dbraw/zinc/25/92/62/186259262.db2.gz CRRILIOHFSOTSN-AWEZNQCLSA-N 1 0 289.379 2.456 10 0 CEAERO CCC[NH2+][C@H]1CCCC[C@H]1c1nc(COC)no1 ZINC000109518933 186259503 /nfs/dbraw/zinc/25/95/03/186259503.db2.gz ZJEPUMGXONIGKQ-MNOVXSKESA-N 1 0 253.346 2.242 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+][C@H]2CCCOC2)c1C ZINC000109546072 186261455 /nfs/dbraw/zinc/26/14/55/186261455.db2.gz SBDIPYXUQOYJHJ-MFKMUULPSA-N 1 0 251.374 2.349 10 0 CEAERO COc1ccc(C[NH2+][C@H]2CCCCC[C@H]2O)c(OC)c1 ZINC000109554117 186262647 /nfs/dbraw/zinc/26/26/47/186262647.db2.gz UUTYTHBVJQUEMM-LSDHHAIUSA-N 1 0 279.380 2.487 10 0 CEAERO COc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2O)c(OC)c1 ZINC000109554109 186262791 /nfs/dbraw/zinc/26/27/91/186262791.db2.gz UUTYTHBVJQUEMM-CABCVRRESA-N 1 0 279.380 2.487 10 0 CEAERO C[C@@H](O)c1cc(F)ccc1N1CC[C@@H]([NH+](C)C)C1 ZINC000109584734 186263865 /nfs/dbraw/zinc/26/38/65/186263865.db2.gz URAFCBQBCKYZHJ-ZYHUDNBSSA-N 1 0 252.333 2.019 10 0 CEAERO CCC[NH2+][C@H]1c2ccc(OCCOCC)cc2NC1=O ZINC000109573601 186264120 /nfs/dbraw/zinc/26/41/20/186264120.db2.gz XTRBMZCBDDAMAS-AWEZNQCLSA-N 1 0 278.352 2.095 10 0 CEAERO COCCN(c1ccccc1[C@H](C)[NH3+])[C@@H](C)COC ZINC000109570212 186264231 /nfs/dbraw/zinc/26/42/31/186264231.db2.gz VFEQZTWAQNMDCB-STQMWFEESA-N 1 0 266.385 2.194 10 0 CEAERO CN(CC[NH+]1CCCC1)c1cc(CO)nc2ccccc21 ZINC000109594772 186265207 /nfs/dbraw/zinc/26/52/07/186265207.db2.gz NKQFCGOAJFAQGG-UHFFFAOYSA-N 1 0 285.391 2.259 10 0 CEAERO CCOC(=O)[C@H]1CCCN1[C@@H](CC[NH3+])c1ccccc1 ZINC000109604566 186268092 /nfs/dbraw/zinc/26/80/92/186268092.db2.gz VJVKVTVTJJGPIX-LSDHHAIUSA-N 1 0 276.380 2.104 10 0 CEAERO C[C@H]1C[C@@H]([NH2+]CCc2nncn2C)CC(C)(C)C1 ZINC000109420776 186251547 /nfs/dbraw/zinc/25/15/47/186251547.db2.gz BUPJWGDFVNTZRG-NWDGAFQWSA-N 1 0 250.390 2.162 10 0 CEAERO Nc1cccc(F)c1C[N@@H+]1CCCC[C@@H]1CCO ZINC000109427039 186251883 /nfs/dbraw/zinc/25/18/83/186251883.db2.gz OJJPWVRNZCIWBF-LLVKDONJSA-N 1 0 252.333 2.145 10 0 CEAERO Cn1cnnc1CC[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000109422599 186251912 /nfs/dbraw/zinc/25/19/12/186251912.db2.gz OZIBBZPVPSZTPL-HNNXBMFYSA-N 1 0 274.343 2.238 10 0 CEAERO Cn1cnnc1CC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000109420856 186252013 /nfs/dbraw/zinc/25/20/13/186252013.db2.gz LITKFCGGRLVKKR-UHFFFAOYSA-N 1 0 285.178 2.454 10 0 CEAERO CCC[NH2+][C@]1(c2nc3c(s2)CCC3)CCOC1 ZINC000109432216 186252410 /nfs/dbraw/zinc/25/24/10/186252410.db2.gz IMVALQAKXJTLBX-CYBMUJFWSA-N 1 0 252.383 2.247 10 0 CEAERO CCCC[C@@H](CC)C[NH+]1CCN([C@@H](C)C(N)=S)CC1 ZINC000109468025 186254434 /nfs/dbraw/zinc/25/44/34/186254434.db2.gz PMIYMICFJKTODM-UONOGXRCSA-N 1 0 285.501 2.495 10 0 CEAERO CCC[C@H](c1nc2c(s1)CCC2)N1CC[NH2+]CC1 ZINC000109472722 186254610 /nfs/dbraw/zinc/25/46/10/186254610.db2.gz YOCTVPUTZQFEOE-GFCCVEGCSA-N 1 0 265.426 2.378 10 0 CEAERO CC[C@@H](c1noc(-c2ccccc2)n1)N1CC[NH2+]CC1 ZINC000109474585 186255248 /nfs/dbraw/zinc/25/52/48/186255248.db2.gz UJATYRLHOUFRPG-ZDUSSCGKSA-N 1 0 272.352 2.093 10 0 CEAERO CC(C)(c1nccc(-c2ccccc2)n1)N1CC[NH2+]CC1 ZINC000109476253 186255269 /nfs/dbraw/zinc/25/52/69/186255269.db2.gz CODQSQDXQFJUML-UHFFFAOYSA-N 1 0 282.391 2.284 10 0 CEAERO Cc1nnc(Sc2cccc(F)c2[C@H](C)[NH3+])n1C ZINC000110368797 186294753 /nfs/dbraw/zinc/29/47/53/186294753.db2.gz XTLFKSBZNJBLGS-ZETCQYMHSA-N 1 0 266.345 2.434 10 0 CEAERO CC[C@@H](C(N)=S)[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC000110460815 186297227 /nfs/dbraw/zinc/29/72/27/186297227.db2.gz KHYNYMJTWOKBNA-AWEZNQCLSA-N 1 0 295.427 2.008 10 0 CEAERO CCC[NH2+][C@H](Cc1cnn(C)c1)c1cccc(C)n1 ZINC000110475387 186297769 /nfs/dbraw/zinc/29/77/69/186297769.db2.gz YRZLGNJVDVJLIR-OAHLLOKOSA-N 1 0 258.369 2.407 10 0 CEAERO CC[C@@H]([NH2+]C)[C@H](C)c1nc(CC(F)(F)F)no1 ZINC000110470549 186298126 /nfs/dbraw/zinc/29/81/26/186298126.db2.gz SFEZYRCXBAGIKC-NKWVEPMBSA-N 1 0 251.252 2.276 10 0 CEAERO CC[C@]1(c2nc(-c3cccc(C)n3)no2)CC[NH2+]C1 ZINC000110473343 186298559 /nfs/dbraw/zinc/29/85/59/186298559.db2.gz FXILTXICZWYJDI-AWEZNQCLSA-N 1 0 258.325 2.081 10 0 CEAERO CCc1nc(-c2ccc3c(c2)OCO3)[nH+]c(NN)c1C ZINC000110477627 186298730 /nfs/dbraw/zinc/29/87/30/186298730.db2.gz UPHUEEJSUMABTO-UHFFFAOYSA-N 1 0 272.308 2.029 10 0 CEAERO C[C@@H]1CCC[C@H](C[NH3+])N1CC(=O)NC1CCCCCC1 ZINC000110480906 186299051 /nfs/dbraw/zinc/29/90/51/186299051.db2.gz RYNSOTOYTJMVLT-UKRRQHHQSA-N 1 0 281.444 2.027 10 0 CEAERO NC(=[NH2+])c1cc(C(F)(F)F)ccc1O[C@H]1CCOC1 ZINC000110528064 186301491 /nfs/dbraw/zinc/30/14/91/186301491.db2.gz IWTIPQIBACIRGT-QMMMGPOBSA-N 1 0 274.242 2.157 10 0 CEAERO C[C@@](O)(c1cnc2ccccc2c1)[C@@H]1CCC[NH2+]C1 ZINC000110551855 186303641 /nfs/dbraw/zinc/30/36/41/186303641.db2.gz DRNUKWRNAAKSRL-CJNGLKHVSA-N 1 0 256.349 2.442 10 0 CEAERO CCOC[C@H](C)n1c(N)[nH+]c2cc(F)c(OC)cc21 ZINC000110629967 186307563 /nfs/dbraw/zinc/30/75/63/186307563.db2.gz WVCYJYCRCUYHIM-QMMMGPOBSA-N 1 0 267.304 2.364 10 0 CEAERO COc1cc2c(cc1F)[nH+]c(N)n2C[C@H]1CCCCO1 ZINC000110629901 186307696 /nfs/dbraw/zinc/30/76/96/186307696.db2.gz VLOGOJABENWJAD-SECBINFHSA-N 1 0 279.315 2.335 10 0 CEAERO C[NH+](C)CCCOc1cc(OC(F)F)c(F)cc1N ZINC000110642825 186308499 /nfs/dbraw/zinc/30/84/99/186308499.db2.gz BKMWWYQHNHPAKH-UHFFFAOYSA-N 1 0 278.274 2.340 10 0 CEAERO CCOC(=O)c1cccnc1NCC[C@@H]1CCC[NH2+]C1 ZINC000110793797 186325125 /nfs/dbraw/zinc/32/51/25/186325125.db2.gz XOKOTINKDLSXPV-LBPRGKRZSA-N 1 0 277.368 2.060 10 0 CEAERO NC(=O)c1cc(Cl)ccc1NCC[C@@H]1CCC[NH2+]C1 ZINC000110793742 186325259 /nfs/dbraw/zinc/32/52/59/186325259.db2.gz UCZQSAFGMRNOAT-JTQLQIEISA-N 1 0 281.787 2.241 10 0 CEAERO C[C@@H]1CCCN(c2nc3sccn3c2C[NH3+])CC1 ZINC000110807532 186326191 /nfs/dbraw/zinc/32/61/91/186326191.db2.gz RGMSDQZKWXTTBG-SNVBAGLBSA-N 1 0 264.398 2.481 10 0 CEAERO CCOC(=O)[C@](C)(C[N@H+](C)CC1CCCC1)NC(C)C ZINC000110841281 186328065 /nfs/dbraw/zinc/32/80/65/186328065.db2.gz VVDDDRJATABQHR-INIZCTEOSA-N 1 0 284.444 2.428 10 0 CEAERO C[N@@H+](CC(=O)Nc1cc(N)ccc1F)CC1CCCC1 ZINC000110833409 186328071 /nfs/dbraw/zinc/32/80/71/186328071.db2.gz SDBBHTUDFHEXJU-UHFFFAOYSA-N 1 0 279.359 2.468 10 0 CEAERO CN(Cc1ccc2ccccc2n1)[C@H]1CCC[NH2+]C1 ZINC000110930157 186333283 /nfs/dbraw/zinc/33/32/83/186333283.db2.gz QWXCMHBCCGFHIA-HNNXBMFYSA-N 1 0 255.365 2.419 10 0 CEAERO CCOc1ccc(C(C)=O)cc1CN(C)[C@H]1CCC[NH2+]C1 ZINC000110931950 186333331 /nfs/dbraw/zinc/33/33/31/186333331.db2.gz WGECBNLMTITXLX-INIZCTEOSA-N 1 0 290.407 2.472 10 0 CEAERO Cc1c(Cl)cccc1NC(=O)CN(C)[C@H]1CCC[NH2+]C1 ZINC000110931722 186333360 /nfs/dbraw/zinc/33/33/60/186333360.db2.gz ZOICHTDJDTXHGT-LBPRGKRZSA-N 1 0 295.814 2.271 10 0 CEAERO CN(CCOc1ccccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000110931281 186333435 /nfs/dbraw/zinc/33/34/35/186333435.db2.gz DVFIIGXULOUUJI-LBPRGKRZSA-N 1 0 268.788 2.403 10 0 CEAERO Cc1cccc(NC(=O)CCCN(C)[C@H]2CCC[NH2+]C2)c1 ZINC000110930132 186333856 /nfs/dbraw/zinc/33/38/56/186333856.db2.gz QBNFTUCIJIPTAM-INIZCTEOSA-N 1 0 289.423 2.398 10 0 CEAERO CCCN(Cc1cc(C)c(C(=O)OC)o1)[C@H]1CCC[NH2+]C1 ZINC000110946695 186335824 /nfs/dbraw/zinc/33/58/24/186335824.db2.gz ZHXSEAMAAWCVNT-ZDUSSCGKSA-N 1 0 294.395 2.339 10 0 CEAERO Cc1ccc([C@@H](C)[NH3+])c(O[C@@H](C)C(=O)NC(C)C)c1 ZINC000110957816 186336262 /nfs/dbraw/zinc/33/62/62/186336262.db2.gz NNHHSCHMESQKMP-NEPJUHHUSA-N 1 0 264.369 2.307 10 0 CEAERO Cc1ccc([C@H]([NH2+]C2CCCC2)C(N)=O)cc1F ZINC000110978245 186338902 /nfs/dbraw/zinc/33/89/02/186338902.db2.gz NNJITGWBOPRJRW-ZDUSSCGKSA-N 1 0 250.317 2.193 10 0 CEAERO NC(=[NH2+])c1cc2c(nc1Oc1ccccc1CO)CCC2 ZINC000110993768 186340758 /nfs/dbraw/zinc/34/07/58/186340758.db2.gz GUBISTGWIZVHAF-UHFFFAOYSA-N 1 0 283.331 2.139 10 0 CEAERO C[N@@H+]1CCN(Cc2cc3ccccc3nc2N)CC1(C)C ZINC000110743126 186318758 /nfs/dbraw/zinc/31/87/58/186318758.db2.gz LLUFPMHNSDWFKY-UHFFFAOYSA-N 1 0 284.407 2.343 10 0 CEAERO CC[N@@H+]1CCN(C(=O)c2ccc3c(c2)CCCN3)C[C@@H]1C ZINC000110741030 186319540 /nfs/dbraw/zinc/31/95/40/186319540.db2.gz SFZSUNFLUYQRCW-ZDUSSCGKSA-N 1 0 287.407 2.211 10 0 CEAERO C[N@@H+]1CCN(CCNc2cccc(F)c2)CC1(C)C ZINC000110758018 186321206 /nfs/dbraw/zinc/32/12/06/186321206.db2.gz NHUKIGROLBZYTR-UHFFFAOYSA-N 1 0 265.376 2.264 10 0 CEAERO CCOC(CC[N@H+](CCO)Cc1ccccc1)OCC ZINC000110785880 186324092 /nfs/dbraw/zinc/32/40/92/186324092.db2.gz DDEORPITGFDXEL-UHFFFAOYSA-N 1 0 281.396 2.270 10 0 CEAERO CC[NH2+]CCN(C)c1ncnc2sc(C)cc21 ZINC000110779920 186324447 /nfs/dbraw/zinc/32/44/47/186324447.db2.gz UJFXIHZWNDBQQF-UHFFFAOYSA-N 1 0 250.371 2.045 10 0 CEAERO CCn1cc(Cl)cc1C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000110792035 186324599 /nfs/dbraw/zinc/32/45/99/186324599.db2.gz ATASJWMGHRJIEO-LLVKDONJSA-N 1 0 283.803 2.281 10 0 CEAERO CCOc1cc(N2CCC[C@H]2C[NH+](C)C)ccc1N ZINC000111055834 186349480 /nfs/dbraw/zinc/34/94/80/186349480.db2.gz WMGFGIYLOYGINK-ZDUSSCGKSA-N 1 0 263.385 2.198 10 0 CEAERO CC(C)CC[C@@H](C)[NH2+]CCSCCS(C)(=O)=O ZINC000111007339 186342412 /nfs/dbraw/zinc/34/24/12/186342412.db2.gz BWAPDKCAXLYMRH-GFCCVEGCSA-N 1 0 281.487 2.179 10 0 CEAERO Nc1cccc(Cl)c1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000111010732 186343016 /nfs/dbraw/zinc/34/30/16/186343016.db2.gz CGWKKBHRAJXVPK-UHFFFAOYSA-N 1 0 293.798 2.090 10 0 CEAERO CC[NH2+][C@@H](c1cccc(F)c1F)[C@@H]1CCS(=O)(=O)C1 ZINC000111037633 186346672 /nfs/dbraw/zinc/34/66/72/186346672.db2.gz JUPODVJJTUDHRD-NOZJJQNGSA-N 1 0 289.347 2.050 10 0 CEAERO CN(CCc1ccncc1)c1ccc(F)cc1C(N)=[NH2+] ZINC000111033836 186347222 /nfs/dbraw/zinc/34/72/22/186347222.db2.gz BHCSFCNIIQHAQC-UHFFFAOYSA-N 1 0 272.327 2.184 10 0 CEAERO COc1ccc([C@@H]([C@H](C)[NH3+])N(C)C[C@@H]2CCCOC2)cc1 ZINC000111154763 186360366 /nfs/dbraw/zinc/36/03/66/186360366.db2.gz SAVUHVVVUWZXHK-GRDNDAEWSA-N 1 0 292.423 2.442 10 0 CEAERO CCNc1c(F)cccc1C(=O)N(C)CCC[NH+](C)C ZINC000111151842 186361070 /nfs/dbraw/zinc/36/10/70/186361070.db2.gz CXXOWYZNDCZWQV-UHFFFAOYSA-N 1 0 281.375 2.281 10 0 CEAERO C[NH2+][C@@H]1CCCCC[C@H]1N(C)C[C@@H]1CCCOC1 ZINC000111160980 186361509 /nfs/dbraw/zinc/36/15/09/186361509.db2.gz ULNOWCDWQLAUEB-RRFJBIMHSA-N 1 0 254.418 2.266 10 0 CEAERO [NH3+]C1CCC(CC(=O)NC[C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000111104900 186352746 /nfs/dbraw/zinc/35/27/46/186352746.db2.gz QSPIYPMOGSWAEI-BSMMKNRVSA-N 1 0 264.413 2.446 10 0 CEAERO CCCOCCOC[C@@H]([NH3+])c1cc(OC)ccc1OC ZINC000111107655 186352949 /nfs/dbraw/zinc/35/29/49/186352949.db2.gz UOPZSZVDOPPBRX-CQSZACIVSA-N 1 0 283.368 2.147 10 0 CEAERO COC(CNCC1([NH+]2CCCCC2)CCCCC1)OC ZINC000111111790 186353239 /nfs/dbraw/zinc/35/32/39/186353239.db2.gz REMSGYLCDWOVSP-UHFFFAOYSA-N 1 0 284.444 2.384 10 0 CEAERO COC(C[NH2+][C@H](C)Cc1cccc(Cl)c1)OC ZINC000111112264 186353768 /nfs/dbraw/zinc/35/37/68/186353768.db2.gz XXXSRVHJVOMEEJ-SNVBAGLBSA-N 1 0 257.761 2.480 10 0 CEAERO CCOCCN(CC)c1ccc(C(N)=[NH2+])c(Cl)c1 ZINC000111119612 186354502 /nfs/dbraw/zinc/35/45/02/186354502.db2.gz JENLWSBBSQFJNP-UHFFFAOYSA-N 1 0 269.776 2.487 10 0 CEAERO CCOCCN(CC)c1nc(C)c(C[NH2+]C)s1 ZINC000111124668 186354660 /nfs/dbraw/zinc/35/46/60/186354660.db2.gz XADTWKBDJGUCSP-UHFFFAOYSA-N 1 0 257.403 2.034 10 0 CEAERO CCOCCN(CC)[C@@H](C[NH3+])c1ccc(F)c(F)c1 ZINC000111117680 186354896 /nfs/dbraw/zinc/35/48/96/186354896.db2.gz NPEWGKSVROGVHD-AWEZNQCLSA-N 1 0 272.339 2.323 10 0 CEAERO CCOCC[N@H+](CC)[C@@H]1CCc2ccccc2[C@@H]1O ZINC000111121420 186355403 /nfs/dbraw/zinc/35/54/03/186355403.db2.gz MXNGAORJBGFJTG-CVEARBPZSA-N 1 0 263.381 2.393 10 0 CEAERO CN(CCC[NH+](C)C)C(=O)c1cc2ccccc2cc1N ZINC000111137666 186357374 /nfs/dbraw/zinc/35/73/74/186357374.db2.gz KPLWPSOJNZPYDP-UHFFFAOYSA-N 1 0 285.391 2.446 10 0 CEAERO C[N@@H+](Cc1cc(C(N)=S)ccc1F)C[C@H]1CCCOC1 ZINC000111163117 186363585 /nfs/dbraw/zinc/36/35/85/186363585.db2.gz AOXODPZHAUHIEC-LLVKDONJSA-N 1 0 296.411 2.318 10 0 CEAERO Cc1cc(C)c(CO)c(N(C)C[C@@H]2CCCOC2)[nH+]1 ZINC000111167690 186364360 /nfs/dbraw/zinc/36/43/60/186364360.db2.gz IKPHZJDJHXPXDW-ZDUSSCGKSA-N 1 0 264.369 2.054 10 0 CEAERO CC[NH2+][C@H](Cc1ncc[nH]1)[C@@H]1CCOc2ccccc21 ZINC000111185788 186366413 /nfs/dbraw/zinc/36/64/13/186366413.db2.gz ICQLURAGXNYEKM-TZMCWYRMSA-N 1 0 271.364 2.497 10 0 CEAERO [NH3+][C@H](c1noc([C@H]2CCOc3ccccc32)n1)C1CC1 ZINC000111189370 186367239 /nfs/dbraw/zinc/36/72/39/186367239.db2.gz JNKIXDQWYURISZ-AAEUAGOBSA-N 1 0 271.320 2.394 10 0 CEAERO CC[NH2+]CCc1nnc([C@@H]2CCOc3ccccc32)o1 ZINC000111189610 186367476 /nfs/dbraw/zinc/36/74/76/186367476.db2.gz LMJOEWLVIHNHNA-GFCCVEGCSA-N 1 0 273.336 2.136 10 0 CEAERO CN(C)c1nnc(SCc2ccc(C(N)=[NH2+])cc2)s1 ZINC000111316002 186395715 /nfs/dbraw/zinc/39/57/15/186395715.db2.gz SLZBIIYLJNLLCG-UHFFFAOYSA-N 1 0 293.421 2.180 10 0 CEAERO C[C@@H]1CC[C@H](C[NH3+])[C@H](Sc2nnc(N(C)C)s2)C1 ZINC000111316281 186396288 /nfs/dbraw/zinc/39/62/88/186396288.db2.gz MHJCCFCSQCNICT-OPRDCNLKSA-N 1 0 286.470 2.460 10 0 CEAERO CC[NH2+]C[C@@]1(CN2CCc3ccccc3C2)CCCOC1 ZINC000111324261 186397623 /nfs/dbraw/zinc/39/76/23/186397623.db2.gz WEWIEUBFTCIZQY-GOSISDBHSA-N 1 0 288.435 2.451 10 0 CEAERO CCCN(CC(F)(F)F)C[C@@]1(C[NH3+])CCCOC1 ZINC000111326293 186399158 /nfs/dbraw/zinc/39/91/58/186399158.db2.gz BLVAGLYDGHXQPS-NSHDSACASA-N 1 0 268.323 2.016 10 0 CEAERO CCCCCN(c1c(C(N)=[NH2+])c(C)nn1C)C(C)C ZINC000111358497 186404951 /nfs/dbraw/zinc/40/49/51/186404951.db2.gz ZIYPGBZWUPLTHX-UHFFFAOYSA-N 1 0 265.405 2.418 10 0 CEAERO Cc1cccc(NC[C@H]2CCN(Cc3ncc[nH]3)C2)[nH+]1 ZINC000111213000 186370882 /nfs/dbraw/zinc/37/08/82/186370882.db2.gz OYTCHLHJFOHTSI-CYBMUJFWSA-N 1 0 271.368 2.047 10 0 CEAERO CCCN(CC(=O)N1[C@@H](C)CCC[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000111237820 186372956 /nfs/dbraw/zinc/37/29/56/186372956.db2.gz VLYDXAOFMHHXSM-HRCADAONSA-N 1 0 295.471 2.240 10 0 CEAERO CC[C@H]1CCCCN1C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111243561 186374559 /nfs/dbraw/zinc/37/45/59/186374559.db2.gz JLZVPYYRDMYPAW-CMPLNLGQSA-N 1 0 278.318 2.320 10 0 CEAERO C[C@](O)(C[NH+]1CCC(n2ccnc2)CC1)c1ccccc1 ZINC000111244049 186375792 /nfs/dbraw/zinc/37/57/92/186375792.db2.gz KDNFSGTTXRJWGA-KRWDZBQOSA-N 1 0 285.391 2.428 10 0 CEAERO CC[C@H](NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)C(C)C ZINC000111246267 186376096 /nfs/dbraw/zinc/37/60/96/186376096.db2.gz VAWODYGEWNBJSZ-GXSJLCMTSA-N 1 0 266.307 2.079 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1c1nc(-c2cc(F)cc(F)c2)no1 ZINC000111256541 186378917 /nfs/dbraw/zinc/37/89/17/186378917.db2.gz GYCQIMDIHCYIPM-RDDDGLTNSA-N 1 0 265.263 2.338 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1cc(Cl)ccc1F ZINC000111263947 186382129 /nfs/dbraw/zinc/38/21/29/186382129.db2.gz UIBASSNFMWHSBO-APPZFPTMSA-N 1 0 256.708 2.273 10 0 CEAERO CCN(CC)c1ccc(NC(=O)[C@H]2C[NH2+]C[C@H]2C)cc1 ZINC000111264953 186382147 /nfs/dbraw/zinc/38/21/47/186382147.db2.gz OPTBXMFEIPSYFX-DOMZBBRYSA-N 1 0 275.396 2.327 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21 ZINC000111264249 186382158 /nfs/dbraw/zinc/38/21/58/186382158.db2.gz NUDISJCHYWUQCY-NILFDRSVSA-N 1 0 258.365 2.036 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000111266884 186382733 /nfs/dbraw/zinc/38/27/33/186382733.db2.gz PTTHEUKWJSWWPY-SFXRXQKFSA-N 1 0 278.318 2.079 10 0 CEAERO CSc1ccc(CN(C)C(=O)[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000111267974 186383021 /nfs/dbraw/zinc/38/30/21/186383021.db2.gz MGOQOINCLWZIBN-BXUZGUMPSA-N 1 0 278.421 2.222 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)N(Cc1ccccc1F)C1CC1 ZINC000111268240 186383417 /nfs/dbraw/zinc/38/34/17/186383417.db2.gz FLXSRRAWRSWOHJ-SMDDNHRTSA-N 1 0 276.355 2.172 10 0 CEAERO C[C@@H](c1cccs1)N(C)C(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000111269599 186383632 /nfs/dbraw/zinc/38/36/32/186383632.db2.gz FDTIRXRIKXSGJS-GARJFASQSA-N 1 0 252.383 2.123 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)N(C)C1C2CC3CC(C2)CC1C3 ZINC000111268862 186383792 /nfs/dbraw/zinc/38/37/92/186383792.db2.gz IIFAZPFSVZWKQT-YZQVSVNPSA-N 1 0 276.424 2.125 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@@H]1C1CCCCC1 ZINC000111269294 186383976 /nfs/dbraw/zinc/38/39/76/186383976.db2.gz MLVYKXSGKWUORV-NWANDNLSSA-N 1 0 264.413 2.413 10 0 CEAERO CC(C)c1csc(NC(=O)[C@H]2C[NH2+]C[C@H]2C)n1 ZINC000111271849 186384073 /nfs/dbraw/zinc/38/40/73/186384073.db2.gz DTAPSYFXEOSOAD-BDAKNGLRSA-N 1 0 253.371 2.061 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CCC(c2ccccc2)CC1 ZINC000111268512 186384354 /nfs/dbraw/zinc/38/43/54/186384354.db2.gz BOOBVEPYQRJKSV-CJNGLKHVSA-N 1 0 272.392 2.248 10 0 CEAERO Cc1ccc([C@H](C)N(C)C(=O)[C@H]2C[NH2+]C[C@@H]2C)s1 ZINC000111269628 186384521 /nfs/dbraw/zinc/38/45/21/186384521.db2.gz QNSJRDDFCREXPR-DLOVCJGASA-N 1 0 266.410 2.431 10 0 CEAERO CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000111269285 186384554 /nfs/dbraw/zinc/38/45/54/186384554.db2.gz SIWRBUZKJJUTEQ-ZYHUDNBSSA-N 1 0 282.334 2.169 10 0 CEAERO CCC[NH2+][C@@H](COC)Cc1nc([C@H](C)CC)no1 ZINC000111275535 186387085 /nfs/dbraw/zinc/38/70/85/186387085.db2.gz FVHFFLZJDGKGRG-GHMZBOCLSA-N 1 0 255.362 2.140 10 0 CEAERO Cc1ccccc1N(C)C(=O)c1ccc(C[NH3+])cn1 ZINC000111282219 186387956 /nfs/dbraw/zinc/38/79/56/186387956.db2.gz IXIJKIDFXGEADO-UHFFFAOYSA-N 1 0 255.321 2.125 10 0 CEAERO C[C@H](NC(=O)c1ccc(C[NH3+])cn1)c1cccc(F)c1 ZINC000111281856 186388057 /nfs/dbraw/zinc/38/80/57/186388057.db2.gz ZOIQUAVKEAAPAD-JTQLQIEISA-N 1 0 273.311 2.170 10 0 CEAERO Cc1ccc(C)c(NC(=O)c2ccc(C[NH3+])cn2)c1 ZINC000111281065 186388463 /nfs/dbraw/zinc/38/84/63/186388463.db2.gz XDIBUFWBRHNQEK-UHFFFAOYSA-N 1 0 255.321 2.409 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1ccc2cc[nH]c2c1 ZINC000111288949 186391021 /nfs/dbraw/zinc/39/10/21/186391021.db2.gz DPTYBDAAMYFNIY-OLZOCXBDSA-N 1 0 257.337 2.168 10 0 CEAERO CCN(C(=O)c1ccc2cc[nH]c2c1)[C@H]1CCC[NH2+]C1 ZINC000111289291 186391207 /nfs/dbraw/zinc/39/12/07/186391207.db2.gz VEBNXYYGUIAJCD-AWEZNQCLSA-N 1 0 271.364 2.382 10 0 CEAERO Cc1nc(Cl)c(C)c(N[C@H]2C[NH+]3CCC2CC3)n1 ZINC000111295898 186391812 /nfs/dbraw/zinc/39/18/12/186391812.db2.gz NDCPNWHABPQOHO-NSHDSACASA-N 1 0 266.776 2.253 10 0 CEAERO CCCS(=O)(=O)c1ccccc1NC[C@H]([NH3+])CC ZINC000111304797 186393979 /nfs/dbraw/zinc/39/39/79/186393979.db2.gz SEYBJLPOJTXSCD-LLVKDONJSA-N 1 0 270.398 2.020 10 0 CEAERO Cc1ccc(O[C@H](C)C(=O)N2CCCC[C@H]2C[NH3+])cc1 ZINC000131023142 366013597 /nfs/dbraw/zinc/01/35/97/366013597.db2.gz UMAUSOLRXVRMTE-KGLIPLIRSA-N 1 0 276.380 2.102 10 0 CEAERO CC[C@@H]([NH3+])Cc1c(N2CCSCC2)nc2ccccn21 ZINC000111490372 186424275 /nfs/dbraw/zinc/42/42/75/186424275.db2.gz CNQRBYQMOUORBA-GFCCVEGCSA-N 1 0 290.436 2.167 10 0 CEAERO CCC(CC)N(CCOC)c1c(C[C@@H](C)[NH3+])c(C)nn1C ZINC000111510076 186424605 /nfs/dbraw/zinc/42/46/05/186424605.db2.gz OPFOWJANBWXLNP-GFCCVEGCSA-N 1 0 296.459 2.260 10 0 CEAERO COCCN(C)c1nc2ccccc2cc1C[C@H](C)[NH3+] ZINC000111509608 186424929 /nfs/dbraw/zinc/42/49/29/186424929.db2.gz FQBMTCPIHBJTCG-LBPRGKRZSA-N 1 0 273.380 2.207 10 0 CEAERO COCCCN(C)c1ccc(C[C@H](C)[NH3+])cc1C ZINC000111499648 186424992 /nfs/dbraw/zinc/42/49/92/186424992.db2.gz DYMPVDPAABJUHO-ZDUSSCGKSA-N 1 0 250.386 2.357 10 0 CEAERO CC[C@H]([NH3+])Cc1ccc(N(C)[C@@H](C)COC)cc1 ZINC000111502801 186425215 /nfs/dbraw/zinc/42/52/15/186425215.db2.gz GNSNLGCWQVQPCE-JSGCOSHPSA-N 1 0 250.386 2.438 10 0 CEAERO CC[C@@H]([NH3+])Cc1c(Cl)cccc1-n1cncn1 ZINC000111512335 186426020 /nfs/dbraw/zinc/42/60/20/186426020.db2.gz BCYBFADQLMOJNX-SECBINFHSA-N 1 0 250.733 2.201 10 0 CEAERO CC[C@H]([NH3+])Cc1cc(F)ccc1Sc1nc[nH]n1 ZINC000111580158 186429872 /nfs/dbraw/zinc/42/98/72/186429872.db2.gz QBCXPWFQEXQWPM-JTQLQIEISA-N 1 0 266.345 2.375 10 0 CEAERO CCC[NH2+][C@H]1CCN(Cc2cscn2)C[C@@H]1C ZINC000111627755 186433612 /nfs/dbraw/zinc/43/36/12/186433612.db2.gz VTFYOULAIOKOBC-AAEUAGOBSA-N 1 0 253.415 2.353 10 0 CEAERO CC[NH2+][C@H](Cc1nc(-c2cc(C)ccn2)no1)C1CC1 ZINC000111682826 186441413 /nfs/dbraw/zinc/44/14/13/186441413.db2.gz OXFQHOSPCDPGSD-GFCCVEGCSA-N 1 0 272.352 2.371 10 0 CEAERO CC[NH2+]C[C@H]1CCCCN1CC(=O)Nc1ccccc1F ZINC000111701572 186446581 /nfs/dbraw/zinc/44/65/81/186446581.db2.gz DVSUGFHLWNLLQR-CYBMUJFWSA-N 1 0 293.386 2.228 10 0 CEAERO CCc1nc(CN2CCCC[C@@H]2C[NH2+]CCOC)cs1 ZINC000111705397 186447847 /nfs/dbraw/zinc/44/78/47/186447847.db2.gz ZTJXZBMQAFXSON-CQSZACIVSA-N 1 0 297.468 2.296 10 0 CEAERO CCC[C@H](C)NC(=O)[C@H](C)N1CCCC[C@@H]1[C@@H](C)[NH2+]C ZINC000111710817 186448801 /nfs/dbraw/zinc/44/88/01/186448801.db2.gz NTGUTKZCQMOODD-LJISPDSOSA-N 1 0 283.460 2.142 10 0 CEAERO CCn1c(COC2CC[NH2+]CC2)nc2c1cccc2F ZINC000111794092 186458439 /nfs/dbraw/zinc/45/84/39/186458439.db2.gz ZWBOPYBZPPHGIG-UHFFFAOYSA-N 1 0 277.343 2.464 10 0 CEAERO CCCCN(CC[NH3+])C(=O)Nc1cccc(F)c1 ZINC000111371282 186408201 /nfs/dbraw/zinc/40/82/01/186408201.db2.gz MESKATLSZQJOSL-UHFFFAOYSA-N 1 0 253.321 2.418 10 0 CEAERO [NH3+]C[C@@H](Cc1ccccc1)NC(=O)NC1CCCCC1 ZINC000111371522 186409047 /nfs/dbraw/zinc/40/90/47/186409047.db2.gz ZCXPGXHSNYHHNG-OAHLLOKOSA-N 1 0 275.396 2.188 10 0 CEAERO CC1CCC(C[NH3+])(N2C(=O)CC(C)(C)CC2=O)CC1 ZINC000111382569 186411437 /nfs/dbraw/zinc/41/14/37/186411437.db2.gz QSHLYYJENYLBQJ-UHFFFAOYSA-N 1 0 266.385 2.069 10 0 CEAERO Cc1nc(CN2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)[nH]c1C ZINC000628180234 350993580 /nfs/dbraw/zinc/99/35/80/350993580.db2.gz HHADIHGZJMYIJZ-FZMZJTMJSA-N 1 0 262.401 2.085 10 0 CEAERO O[C@H]1COCC[C@H]1[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000628467532 351108230 /nfs/dbraw/zinc/10/82/30/351108230.db2.gz XUMMCKWXZTZNMT-NEPJUHHUSA-N 1 0 293.260 2.084 10 0 CEAERO Cc1ccccc1CC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113226854 186561906 /nfs/dbraw/zinc/56/19/06/186561906.db2.gz KYXAQQKXOIXPRJ-GOEBONIOSA-N 1 0 272.392 2.233 10 0 CEAERO CO[C@H]1C[NH2+][C@@](C)(c2nc(-c3ccc(C)cc3)no2)C1 ZINC000629676313 351462812 /nfs/dbraw/zinc/46/28/12/351462812.db2.gz GMVNGXWWUVNEJA-IUODEOHRSA-N 1 0 273.336 2.269 10 0 CEAERO C[C@@H](NC(=O)CC[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000070307698 363069270 /nfs/dbraw/zinc/06/92/70/363069270.db2.gz YAGLMIZEBWNPNO-CHWSQXEVSA-N 1 0 252.402 2.461 10 0 CEAERO CNc1nc(N[C@@H](C)C2CC2)ncc1Br ZINC000131227533 366033155 /nfs/dbraw/zinc/03/31/55/366033155.db2.gz VNVFQMIFCOUXLL-LURJTMIESA-N 1 0 271.162 2.491 10 0 CEAERO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccncc2)CCS1 ZINC000131409480 366051263 /nfs/dbraw/zinc/05/12/63/366051263.db2.gz KUOBTAXCJNJWBK-LBPRGKRZSA-N 1 0 288.420 2.419 10 0 CEAERO Clc1cccc(-c2ccc(N3CC[NH2+]CC3)nn2)c1 ZINC000070458893 363085952 /nfs/dbraw/zinc/08/59/52/363085952.db2.gz SRBBFINYFJDJPD-UHFFFAOYSA-N 1 0 274.755 2.207 10 0 CEAERO CO[C@@H]1CN(Cc2ccccc2Cl)[C@](C)(C[NH3+])C1 ZINC000630357179 351711068 /nfs/dbraw/zinc/71/10/68/351711068.db2.gz XEYZEIJZPSKFES-JSGCOSHPSA-N 1 0 268.788 2.278 10 0 CEAERO Cc1cc(NCC2CC[NH2+]CC2)nc(-c2ccncc2)n1 ZINC000070456016 363085303 /nfs/dbraw/zinc/08/53/03/363085303.db2.gz SWWWACPMQSMPHP-UHFFFAOYSA-N 1 0 283.379 2.259 10 0 CEAERO CO[C@H]1CN(Cc2nc3ccccc3s2)[C@@](C)(C[NH3+])C1 ZINC000630367304 351714101 /nfs/dbraw/zinc/71/41/01/351714101.db2.gz NRPOGOYDBSRQRW-IAQYHMDHSA-N 1 0 291.420 2.234 10 0 CEAERO CC[C@@H]1[NH2+]CC[C@H]1Nc1ccc(OC(F)F)cn1 ZINC000630526532 351773448 /nfs/dbraw/zinc/77/34/48/351773448.db2.gz XUXHYUSQNZPZAQ-VHSXEESVSA-N 1 0 257.284 2.235 10 0 CEAERO Cc1cc(N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)nc(C)n1 ZINC000630530162 351774044 /nfs/dbraw/zinc/77/40/44/351774044.db2.gz ZCRBMVPBBXIHKJ-MNOVXSKESA-N 1 0 288.317 2.057 10 0 CEAERO Cc1ncsc1C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000122449775 187032726 /nfs/dbraw/zinc/03/27/26/187032726.db2.gz QLLDGNMZBQQSLI-UHFFFAOYSA-N 1 0 277.349 2.041 10 0 CEAERO COc1ccsc1C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000122487205 187034839 /nfs/dbraw/zinc/03/48/39/187034839.db2.gz ILYUVXPQWUROLO-UHFFFAOYSA-N 1 0 292.360 2.347 10 0 CEAERO C[C@H](NC(=O)C(C)(C)C[NH3+])c1ccc(F)cc1F ZINC000122934292 187060292 /nfs/dbraw/zinc/06/02/92/187060292.db2.gz OHQPRDNKHFQHLD-QMMMGPOBSA-N 1 0 256.296 2.127 10 0 CEAERO CCc1nc(C)c([C@@H](C)[NH2+]C[C@H](C)N2CCOCC2)s1 ZINC000123237948 187079780 /nfs/dbraw/zinc/07/97/80/187079780.db2.gz ZXFAPJNBLSCAGO-NWDGAFQWSA-N 1 0 297.468 2.385 10 0 CEAERO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](C)N1CCOCC1)CC2 ZINC000123446009 187091939 /nfs/dbraw/zinc/09/19/39/187091939.db2.gz BSBFNWCKFVJZLZ-YOEHRIQHSA-N 1 0 274.408 2.293 10 0 CEAERO CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CCOCC2)cc1 ZINC000123537439 187097541 /nfs/dbraw/zinc/09/75/41/187097541.db2.gz BQEIGSYJXRZFNY-CABCVRRESA-N 1 0 292.423 2.457 10 0 CEAERO O=C1CCCN1c1ccc(NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000130906057 187527951 /nfs/dbraw/zinc/52/79/51/187527951.db2.gz OTIQGPDTYAQVCZ-CYBMUJFWSA-N 1 0 273.380 2.225 10 0 CEAERO COc1ccc(Br)c2c1C[NH2+][C@H](C)C2 ZINC000070653038 363102067 /nfs/dbraw/zinc/10/20/67/363102067.db2.gz LUACTYRFSJGIJR-SSDOTTSWSA-N 1 0 256.143 2.492 10 0 CEAERO CCOc1cncc(N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)n1 ZINC000131900495 187595192 /nfs/dbraw/zinc/59/51/92/187595192.db2.gz NTSJGMQZNVQVNI-RYUDHWBXSA-N 1 0 264.373 2.016 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CC=CCC1 ZINC000253548024 539849643 /nfs/dbraw/zinc/84/96/43/539849643.db2.gz BAHZOVDPMJMJKE-KFWWJZLASA-N 1 0 262.397 2.428 10 0 CEAERO Cc1ccc(C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)cc1N ZINC000094446624 539879426 /nfs/dbraw/zinc/87/94/26/539879426.db2.gz KJLVOMYPNSPGTP-ZFWWWQNUSA-N 1 0 287.407 2.276 10 0 CEAERO Cc1cc(F)ccc1CCNC(=O)C1CCC([NH3+])CC1 ZINC000094956150 539888332 /nfs/dbraw/zinc/88/83/32/539888332.db2.gz KOXFSIFICXGHNV-UHFFFAOYSA-N 1 0 278.371 2.310 10 0 CEAERO CCC1(CC)CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000094802189 539886293 /nfs/dbraw/zinc/88/62/93/539886293.db2.gz YARGEIKGWCNFLE-CHWSQXEVSA-N 1 0 252.402 2.400 10 0 CEAERO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc2ccccc2n1 ZINC000073106337 363198120 /nfs/dbraw/zinc/19/81/20/363198120.db2.gz PZORGEWFEKEFQE-MRXNPFEDSA-N 1 0 283.375 2.287 10 0 CEAERO CC[C@@H](C)OCC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000152482063 188022033 /nfs/dbraw/zinc/02/20/33/188022033.db2.gz ZPUQYFPGGSHWGE-HIFRSBDPSA-N 1 0 278.396 2.221 10 0 CEAERO O=C(NCCC[NH+]1CCCCC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250833518 539969491 /nfs/dbraw/zinc/96/94/91/539969491.db2.gz JYNSXYMOLDJJJN-BTTYYORXSA-N 1 0 250.386 2.025 10 0 CEAERO O=C([C@@H]1C[C@H]2C[C@H]2C1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000251459580 539973902 /nfs/dbraw/zinc/97/39/02/539973902.db2.gz UNRGXBHFQFQDFI-LXTVHRRPSA-N 1 0 262.397 2.023 10 0 CEAERO CCc1onc(C)c1NC(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000154204744 188129329 /nfs/dbraw/zinc/12/93/29/188129329.db2.gz NMAONWLYFQPDFP-LBPRGKRZSA-N 1 0 294.399 2.493 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2[nH]nc3ccccc32)C1 ZINC000155491926 188210582 /nfs/dbraw/zinc/21/05/82/188210582.db2.gz WLMFCWLWFPLOKC-RISCZKNCSA-N 1 0 286.379 2.021 10 0 CEAERO COc1c(CNc2cccc(C[NH+](C)C)c2)c(C)nn1C ZINC000156527454 188267302 /nfs/dbraw/zinc/26/73/02/188267302.db2.gz AQBNAKCGHXIDNI-UHFFFAOYSA-N 1 0 288.395 2.411 10 0 CEAERO CCC[C@H](C(=O)Nc1cc(C(=O)OC)ccc1F)[NH+](C)C ZINC000156856798 188284845 /nfs/dbraw/zinc/28/48/45/188284845.db2.gz LYMWKTVLAPNBNH-CYBMUJFWSA-N 1 0 296.342 2.281 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)CSc2ccncc2)[C@@H](C)C1 ZINC000158862498 188397214 /nfs/dbraw/zinc/39/72/14/188397214.db2.gz IDKRUHWWCLNCJG-JSGCOSHPSA-N 1 0 293.436 2.019 10 0 CEAERO Cc1cnc([C@H](C)NC(=O)[C@@H]2CCC[C@H]2C[NH3+])s1 ZINC000252685086 540007229 /nfs/dbraw/zinc/00/72/29/540007229.db2.gz HPHDCQAKEAOKJX-GARJFASQSA-N 1 0 267.398 2.004 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC(C)(C)C1 ZINC000073722310 363243005 /nfs/dbraw/zinc/24/30/05/363243005.db2.gz GTPCLXIHZRQZAU-CYBMUJFWSA-N 1 0 269.433 2.404 10 0 CEAERO O[C@H]1CCCC[C@@H]1[NH+]1CCC(Nc2cccc(F)n2)CC1 ZINC000132849145 366174811 /nfs/dbraw/zinc/17/48/11/366174811.db2.gz CULMIODVDADABA-KBPBESRZSA-N 1 0 293.386 2.401 10 0 CEAERO C[C@]1(C(=O)Nc2ccc3c[nH]nc3c2)CCCC[NH2+]1 ZINC000133177060 366202936 /nfs/dbraw/zinc/20/29/36/366202936.db2.gz XAURZQFSTOTEIG-CQSZACIVSA-N 1 0 258.325 2.034 10 0 CEAERO C[C@H]1C[C@@H](C(=O)N2CCCC(C)(C)C2)CC[N@@H+]1C ZINC000335931305 291037605 /nfs/dbraw/zinc/03/76/05/291037605.db2.gz XQVIRAWBPVMEKG-STQMWFEESA-N 1 0 252.402 2.365 10 0 CEAERO Cn1cc(C[NH3+])cc1C(=O)C(Cl)(Cl)Cl ZINC000074942321 363425524 /nfs/dbraw/zinc/42/55/24/363425524.db2.gz BZSWVLYUMRZTLO-UHFFFAOYSA-N 1 0 255.532 2.037 10 0 CEAERO CC[NH2+]CC[C@@H](NC(=O)OC(C)(C)C)C(F)F ZINC000675051268 540064524 /nfs/dbraw/zinc/06/45/24/540064524.db2.gz OPGHSHUNFGGQQA-MRVPVSSYSA-N 1 0 252.305 2.144 10 0 CEAERO O=C(NC[C@]12C[C@H](C[NH2+]1)CCC2)NC1CCCCC1 ZINC000675051597 540065345 /nfs/dbraw/zinc/06/53/45/540065345.db2.gz PBZZCFSHMIARAQ-DOMZBBRYSA-N 1 0 265.401 2.151 10 0 CEAERO [NH3+]CC[C@@H]1CCC[C@@H](C(F)(F)F)N1C(=O)CC1CC1 ZINC000675074090 540115822 /nfs/dbraw/zinc/11/58/22/540115822.db2.gz XQJWQUIXXXKGRT-QWRGUYRKSA-N 1 0 278.318 2.447 10 0 CEAERO C[C@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1)Oc1ccccc1 ZINC000569957914 299229737 /nfs/dbraw/zinc/22/97/37/299229737.db2.gz WOYRABXRSHQOGJ-KFWWJZLASA-N 1 0 262.397 2.432 10 0 CEAERO Nc1[nH+]ccn1Cc1cc(F)cc(Br)c1 ZINC000312393050 540141915 /nfs/dbraw/zinc/14/19/15/540141915.db2.gz NXHYBUVFOVAIGB-UHFFFAOYSA-N 1 0 270.105 2.415 10 0 CEAERO c1ccc2c(c1)CCN2CCC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000133599484 366239414 /nfs/dbraw/zinc/23/94/14/366239414.db2.gz RXLPKYNFYTUPDR-MRXNPFEDSA-N 1 0 273.424 2.171 10 0 CEAERO [NH3+][C@H]1CO[C@@H](c2cccc(I)c2)C1 ZINC000575470906 366291871 /nfs/dbraw/zinc/29/18/71/366291871.db2.gz LEZFDPNDOIYHQM-NXEZZACHSA-N 1 0 289.116 2.080 10 0 CEAERO C[NH2+][C@@H]1COC[C@@H]1c1sccc1Br ZINC000575530693 366292947 /nfs/dbraw/zinc/29/29/47/366292947.db2.gz KMLVKLYSVBACGB-POYBYMJQSA-N 1 0 262.172 2.212 10 0 CEAERO Nc1[nH+]ccn1Cc1ccsc1Br ZINC000575541932 366294320 /nfs/dbraw/zinc/29/43/20/366294320.db2.gz MUNAXTIZAZMMNC-UHFFFAOYSA-N 1 0 258.144 2.168 10 0 CEAERO C[C@@H]1COC[C@@]1([NH3+])c1cscc1Br ZINC000575568363 366295914 /nfs/dbraw/zinc/29/59/14/366295914.db2.gz CNABZLJECVGOQA-MUWHJKNJSA-N 1 0 262.172 2.331 10 0 CEAERO C[C@H]1COC[C@@]1([NH3+])c1cscc1Br ZINC000575568364 366296156 /nfs/dbraw/zinc/29/61/56/366296156.db2.gz CNABZLJECVGOQA-RCOVLWMOSA-N 1 0 262.172 2.331 10 0 CEAERO CC(C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000079340989 363590234 /nfs/dbraw/zinc/59/02/34/363590234.db2.gz POLZSHGQRJINAC-KGLIPLIRSA-N 1 0 252.402 2.271 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]Cc2cncn2C)c1C ZINC000353570887 540317045 /nfs/dbraw/zinc/31/70/45/540317045.db2.gz NZJJDACGOOQYHI-JTQLQIEISA-N 1 0 261.373 2.104 10 0 CEAERO COc1cccc(C[NH2+][C@H]2CCCC[C@H]2O)c1F ZINC000165842766 540326651 /nfs/dbraw/zinc/32/66/51/540326651.db2.gz JYLKPVYWVQDNHW-NWDGAFQWSA-N 1 0 253.317 2.227 10 0 CEAERO CCN1CCO[C@H](C[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000165910181 540327517 /nfs/dbraw/zinc/32/75/17/540327517.db2.gz AWLQMQYJQFGXTB-QGZVFWFLSA-N 1 0 274.408 2.374 10 0 CEAERO O[C@@H]1CCC[C@@H](C[N@@H+]2CCOCC23CCCC3)C1 ZINC000388534049 540327873 /nfs/dbraw/zinc/32/78/73/540327873.db2.gz MLJDURPLNOXZCU-ZIAGYGMSSA-N 1 0 253.386 2.183 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1C[NH2+]CC(C)C ZINC000307985076 540337185 /nfs/dbraw/zinc/33/71/85/540337185.db2.gz IJCUYPUQIYFHNK-DZGCQCFKSA-N 1 0 265.401 2.360 10 0 CEAERO C[C@@H](COCc1ccccc1)[NH2+][C@@H]1CCCC[C@H]1O ZINC000390633353 540392932 /nfs/dbraw/zinc/39/29/32/540392932.db2.gz BEGFEVLDLUIWTB-NUEKZKHPSA-N 1 0 263.381 2.485 10 0 CEAERO NC(=O)c1cccc(C[NH2+][C@@H]2CCOc3ccccc32)c1 ZINC000036902892 283384835 /nfs/dbraw/zinc/38/48/35/283384835.db2.gz JZPYNXCWIANGMB-OAHLLOKOSA-N 1 0 282.343 2.399 10 0 CEAERO COc1cccc(C[NH2+][C@H]2CCCCC[C@H]2O)c1OC ZINC000135658454 366465483 /nfs/dbraw/zinc/46/54/83/366465483.db2.gz QWCJEYGGTBJZSL-UONOGXRCSA-N 1 0 279.380 2.487 10 0 CEAERO O=C(N[C@H]1CCCC12CCCCC2)[C@H]1CC[NH2+]C1 ZINC000312997513 540463500 /nfs/dbraw/zinc/46/35/00/540463500.db2.gz QOVDGNLPXOFYKE-STQMWFEESA-N 1 0 250.386 2.215 10 0 CEAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1cc(O)ccc1F ZINC000336213713 213036023 /nfs/dbraw/zinc/03/60/23/213036023.db2.gz WNNBWDBXBBAXBG-RYUDHWBXSA-N 1 0 292.354 2.230 10 0 CEAERO CC[C@H]1CC[NH2+]C[C@@H]1NC(=O)/C=C/c1ccccc1 ZINC000685939276 540635273 /nfs/dbraw/zinc/63/52/73/540635273.db2.gz WOOZNRTWWFSRDT-JJGIJDNGSA-N 1 0 258.365 2.204 10 0 CEAERO CC(C)N1CC[C@H]([NH3+])[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000685954142 540649304 /nfs/dbraw/zinc/64/93/04/540649304.db2.gz LMAHXKFIGJWOKP-BBRMVZONSA-N 1 0 297.443 2.198 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1Nc1nccc(C(F)(F)F)n1 ZINC000089092404 283482549 /nfs/dbraw/zinc/48/25/49/283482549.db2.gz GIYXLZJGPVPQDG-JGVFFNPUSA-N 1 0 260.263 2.035 10 0 CEAERO COCC[N@@H+]1CCN(CCc2ccccc2F)C[C@H]1C ZINC000137592820 366545738 /nfs/dbraw/zinc/54/57/38/366545738.db2.gz QHIIVEBQKNWXMX-CQSZACIVSA-N 1 0 280.387 2.021 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000037044183 283525654 /nfs/dbraw/zinc/52/56/54/283525654.db2.gz CBJCGRYFIBCDSC-UDNWOFFPSA-N 1 0 266.307 2.351 10 0 CEAERO [NH3+]Cc1ccc(-c2cccc(Br)n2)nc1 ZINC000072204082 283527633 /nfs/dbraw/zinc/52/76/33/283527633.db2.gz MVGHBHLNOFSSGY-UHFFFAOYSA-N 1 0 264.126 2.365 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccccc1 ZINC000177025023 189022020 /nfs/dbraw/zinc/02/20/20/189022020.db2.gz ACNMAGWLASXYCK-HNNXBMFYSA-N 1 0 275.396 2.312 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)/C=C/c1cnc(C)s1 ZINC000177033751 189022272 /nfs/dbraw/zinc/02/22/72/189022272.db2.gz VVHWEZNSQMPRFD-GWJCSSMESA-N 1 0 293.436 2.407 10 0 CEAERO Cc1ccccc1C[N@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000177265069 189040312 /nfs/dbraw/zinc/04/03/12/189040312.db2.gz VAQBQNVSJNKTPM-DOTOQJQBSA-N 1 0 274.408 2.148 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)C2(Cc3ccccc3)CC2)C1 ZINC000177462424 189052551 /nfs/dbraw/zinc/05/25/51/189052551.db2.gz LKQLFTNOBVIYBY-HNNXBMFYSA-N 1 0 272.392 2.172 10 0 CEAERO O[C@@H](CN1CC[N@@H+]2CCCC[C@@H]2C1)c1ccc(F)cc1F ZINC000177761508 189067737 /nfs/dbraw/zinc/06/77/37/189067737.db2.gz DWWWGKBCSRTKKW-CJNGLKHVSA-N 1 0 296.361 2.168 10 0 CEAERO C[C@@H]([NH2+][C@@H](C)CS(C)(=O)=O)c1ccc(F)c(F)c1 ZINC000081899564 363744898 /nfs/dbraw/zinc/74/48/98/363744898.db2.gz IPPHGOJPWNVQBD-DTWKUNHWSA-N 1 0 277.336 2.049 10 0 CEAERO C[C@@H]([NH3+])CC(=O)N(C)CC12CC3CC(CC(C3)C1)C2 ZINC000037809823 296016235 /nfs/dbraw/zinc/01/62/35/296016235.db2.gz NFLALTYODUXUAR-UWJCENJNSA-N 1 0 264.413 2.399 10 0 CEAERO Cc1cnn(CC[NH2+][C@H](C)c2ccc3c(c2)CCO3)c1 ZINC000179293178 189183625 /nfs/dbraw/zinc/18/36/25/189183625.db2.gz JFRLZFZPUPHTAJ-CYBMUJFWSA-N 1 0 271.364 2.477 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cnn2ccccc12 ZINC000179686621 189213289 /nfs/dbraw/zinc/21/32/89/189213289.db2.gz BDVAEXCEEPGHMJ-UKRRQHHQSA-N 1 0 270.380 2.003 10 0 CEAERO CO[C@@H](C)CCC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000180852900 189280079 /nfs/dbraw/zinc/28/00/79/189280079.db2.gz UFEJZJZPYVRDFM-ZFWWWQNUSA-N 1 0 278.396 2.221 10 0 CEAERO CC(C)n1nccc1C[NH2+][C@H]1CCCCC[C@H]1O ZINC000342282008 216290878 /nfs/dbraw/zinc/29/08/78/216290878.db2.gz OONDGBMCJGENBF-UONOGXRCSA-N 1 0 251.374 2.247 10 0 CEAERO CCc1ccc([C@H](C)[NH2+]CC(=O)Nc2nncs2)cc1 ZINC000182189721 189316836 /nfs/dbraw/zinc/31/68/36/189316836.db2.gz NZYHHJHWRXQFQR-JTQLQIEISA-N 1 0 290.392 2.390 10 0 CEAERO Cc1ccc(-c2nc(C)c(C)c(N3CC[NH2+]CC3)n2)cc1 ZINC000006704845 361338981 /nfs/dbraw/zinc/33/89/81/361338981.db2.gz QFEDTBZDDFZLGF-UHFFFAOYSA-N 1 0 282.391 2.478 10 0 CEAERO CCC[C@@H](CC)[NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182338828 189320743 /nfs/dbraw/zinc/32/07/43/189320743.db2.gz UHMMVQQYCBUTLY-ZIAGYGMSSA-N 1 0 292.427 2.392 10 0 CEAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CCc1cccnc1 ZINC000083704298 363784889 /nfs/dbraw/zinc/78/48/89/363784889.db2.gz XGVMXYLTNGPSRL-GDBMZVCRSA-N 1 0 259.397 2.183 10 0 CEAERO CCCCOCCN1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000083705052 363785250 /nfs/dbraw/zinc/78/52/50/363785250.db2.gz UVNGUTXYOGQRAX-GJZGRUSLSA-N 1 0 254.418 2.362 10 0 CEAERO COCCN1CC[N@H+](CCCc2cccc(F)c2)C[C@@H]1C ZINC000182751642 189333494 /nfs/dbraw/zinc/33/34/94/189333494.db2.gz HHRKPMRGNMQEQC-HNNXBMFYSA-N 1 0 294.414 2.411 10 0 CEAERO CCc1nccn1[C@H]1CCC[N@H+](CCCn2ccnc2)C1 ZINC000182761456 189333903 /nfs/dbraw/zinc/33/39/03/189333903.db2.gz UAYRVRJTUDFDKJ-HNNXBMFYSA-N 1 0 287.411 2.369 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCOc1ccccc1 ZINC000083550751 363779383 /nfs/dbraw/zinc/77/93/83/363779383.db2.gz ZYPXSBLUWKEQFM-LSDHHAIUSA-N 1 0 260.381 2.234 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)c1ncccn1 ZINC000301593513 201085635 /nfs/dbraw/zinc/08/56/35/201085635.db2.gz YDHXTFCUGXSQLS-MRXNPFEDSA-N 1 0 297.406 2.363 10 0 CEAERO CC(C)[C@H](C)[NH2+][C@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000012672290 361396266 /nfs/dbraw/zinc/39/62/66/361396266.db2.gz ROBUVDYMFNYAOF-NWDGAFQWSA-N 1 0 277.368 2.357 10 0 CEAERO C[C@H]([NH2+][C@H](CO)c1ccccc1)C(=O)NCc1ccccc1 ZINC000182917152 189339618 /nfs/dbraw/zinc/33/96/18/189339618.db2.gz LLJOSWBWGKXMRW-WMLDXEAASA-N 1 0 298.386 2.015 10 0 CEAERO COC(=O)c1ccc(C[NH2+][C@H](C)[C@@H]2CCCO2)cc1F ZINC000183156605 189348679 /nfs/dbraw/zinc/34/86/79/189348679.db2.gz JBKMFSLFLWIWJU-YGRLFVJLSA-N 1 0 281.327 2.269 10 0 CEAERO CCCCOC(=O)CC[NH2+][C@@H](CO)c1ccccc1 ZINC000183640217 189364420 /nfs/dbraw/zinc/36/44/20/189364420.db2.gz WTRZOQCALVWVRD-AWEZNQCLSA-N 1 0 265.353 2.043 10 0 CEAERO CCC[C@@H](C(=O)NC[C@@H](C)c1ncc(C)s1)[NH+](C)C ZINC000184017008 189374289 /nfs/dbraw/zinc/37/42/89/189374289.db2.gz YLJKHXLKMVAOLM-PWSUYJOCSA-N 1 0 283.441 2.402 10 0 CEAERO Cc1cnn([C@@H]2CCC[N@@H+]([C@@H](C)c3cnccn3)C2)c1 ZINC000184530840 189388236 /nfs/dbraw/zinc/38/82/36/189388236.db2.gz IBDLOMHMJCHSJT-UONOGXRCSA-N 1 0 271.368 2.380 10 0 CEAERO C[NH+](C)[C@H]1CC[C@@H](Nc2ncc(Br)cn2)C1 ZINC000301915351 201262024 /nfs/dbraw/zinc/26/20/24/201262024.db2.gz GJWBECFOWMMDRD-ZJUUUORDSA-N 1 0 285.189 2.134 10 0 CEAERO COC(=O)c1ccc(N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)nc1C ZINC000301975085 201283831 /nfs/dbraw/zinc/28/38/31/201283831.db2.gz VQZVTBKBAPIMPD-RISCZKNCSA-N 1 0 291.395 2.317 10 0 CEAERO CC(C)(C)[NH2+]CC1(O)CCN(C(=O)OC(C)(C)C)CC1 ZINC000032133771 361731717 /nfs/dbraw/zinc/73/17/17/361731717.db2.gz OVCUOXONNCBKKY-UHFFFAOYSA-N 1 0 286.416 2.137 10 0 CEAERO COCCOCC[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000085133753 363831261 /nfs/dbraw/zinc/83/12/61/363831261.db2.gz VQDVMDRIEWGGEE-WDEREUQCSA-N 1 0 269.307 2.360 10 0 CEAERO COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC[C@@H]2O)cc1 ZINC000089165425 363944739 /nfs/dbraw/zinc/94/47/39/363944739.db2.gz RIPOXSYURLIGLR-NOLJZWGESA-N 1 0 263.381 2.377 10 0 CEAERO CCn1nc(C[NH2+]C[C@@H]2CCC[C@@H]2O)c2ccccc21 ZINC000089174582 363945254 /nfs/dbraw/zinc/94/52/54/363945254.db2.gz FZGZENJQBVIDHB-LRDDRELGSA-N 1 0 273.380 2.307 10 0 CEAERO Cn1cccc1C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000092812922 364109503 /nfs/dbraw/zinc/10/95/03/364109503.db2.gz SPNMEBRKGWHBSV-AWEZNQCLSA-N 1 0 270.380 2.354 10 0 CEAERO CCN(CCC[NH+](C)C)C(=O)N[C@H]1COc2ccccc21 ZINC000189151818 189524980 /nfs/dbraw/zinc/52/49/80/189524980.db2.gz UGKMYVLWCQGTQW-AWEZNQCLSA-N 1 0 291.395 2.103 10 0 CEAERO CN1CCO[C@H](C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000189153518 189525005 /nfs/dbraw/zinc/52/50/05/189525005.db2.gz XLNNGAIOVOIJPQ-KZNAEPCWSA-N 1 0 288.435 2.318 10 0 CEAERO Cc1c(CNc2cccc(OCC[NH+](C)C)c2)cnn1C ZINC000093649723 364209116 /nfs/dbraw/zinc/20/91/16/364209116.db2.gz WMRHJBBSPAGCEE-UHFFFAOYSA-N 1 0 288.395 2.281 10 0 CEAERO Cc1c(CNc2ccc(C[NH+](C)C)cc2)cnn1C ZINC000093649940 364210898 /nfs/dbraw/zinc/21/08/98/364210898.db2.gz NYOUKJYWXGVVHZ-UHFFFAOYSA-N 1 0 258.369 2.402 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1ccc2ccccc2c1O ZINC000312728727 291304853 /nfs/dbraw/zinc/30/48/53/291304853.db2.gz IUOFATXSQIPVAL-IINYFYTJSA-N 1 0 270.332 2.107 10 0 CEAERO [NH3+][C@H]1CCC[C@@H](C(=O)Nc2ccc(Cn3cccn3)cc2)C1 ZINC000238024890 370766818 /nfs/dbraw/zinc/76/68/18/370766818.db2.gz DLCUZRILOMPCCZ-CABCVRRESA-N 1 0 298.390 2.387 10 0 CEAERO Clc1ccc(COCC[C@@H]2CCC[NH2+]C2)nn1 ZINC000095070503 364330963 /nfs/dbraw/zinc/33/09/63/364330963.db2.gz DAKSUJFJCNTRLZ-JTQLQIEISA-N 1 0 255.749 2.036 10 0 CEAERO [NH3+]C[C@H]1CCCN(c2nc3ccccc3nc2NC2CC2)C1 ZINC000095072509 364332410 /nfs/dbraw/zinc/33/24/10/364332410.db2.gz MDBAAWMHVALFHF-GFCCVEGCSA-N 1 0 297.406 2.379 10 0 CEAERO Cc1ccc([C@H](C)[NH2+]C2CCN(C(N)=O)CC2)cc1F ZINC000094952552 364314573 /nfs/dbraw/zinc/31/45/73/364314573.db2.gz VMGLCYOQWUVHHF-NSHDSACASA-N 1 0 279.359 2.328 10 0 CEAERO [NH3+][C@H]1CC[C@H](c2nc(CCc3ccccc3)no2)C1 ZINC000097068009 364439332 /nfs/dbraw/zinc/43/93/32/364439332.db2.gz OTFSTADUNMVKNN-STQMWFEESA-N 1 0 257.337 2.450 10 0 CEAERO CCC(=O)Nc1ccc(C)c(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC000097093739 364445761 /nfs/dbraw/zinc/44/57/61/364445761.db2.gz FZCIYQXQVOZRJQ-NWDGAFQWSA-N 1 0 289.379 2.409 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@@H](C)CCO)c1C ZINC000097439993 364501139 /nfs/dbraw/zinc/50/11/39/364501139.db2.gz ZAFNXDKUTKUHCZ-QWRGUYRKSA-N 1 0 253.390 2.189 10 0 CEAERO COC(=O)c1ccc(Oc2ccc(C[NH3+])cn2)cc1 ZINC000098179842 364536968 /nfs/dbraw/zinc/53/69/68/364536968.db2.gz SJIQYONLPHVICI-UHFFFAOYSA-N 1 0 258.277 2.119 10 0 CEAERO CC1(C[NH2+]C[C@H](O)COCc2ccco2)CCCC1 ZINC000111621399 364747506 /nfs/dbraw/zinc/74/75/06/364747506.db2.gz HKBPFUCREAVTKW-ZDUSSCGKSA-N 1 0 267.369 2.327 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)NC[C@@H]2CCc3ccccc32)C1 ZINC000111879877 364765919 /nfs/dbraw/zinc/76/59/19/364765919.db2.gz BNIMIIOLGBDWGV-LSDHHAIUSA-N 1 0 287.407 2.062 10 0 CEAERO COc1ccccc1OCC[N@@H+]1CCC[C@H]1CCCO ZINC000112830352 364847532 /nfs/dbraw/zinc/84/75/32/364847532.db2.gz TXFTWNGQIDJGME-AWEZNQCLSA-N 1 0 279.380 2.311 10 0 CEAERO CSc1cc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)ccn1 ZINC000113222358 364876253 /nfs/dbraw/zinc/87/62/53/364876253.db2.gz LGGHUOGJHMNBHY-DGCLKSJQSA-N 1 0 291.420 2.112 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1noc2ccccc21 ZINC000113226558 364877011 /nfs/dbraw/zinc/87/70/11/364877011.db2.gz DHNVGNAQZMMAQT-CHWSQXEVSA-N 1 0 299.374 2.065 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1ccccc1 ZINC000113232398 364879138 /nfs/dbraw/zinc/87/91/38/364879138.db2.gz FZFAWXKVPKEMEF-GOEBONIOSA-N 1 0 272.392 2.314 10 0 CEAERO COc1cccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000113367341 364890853 /nfs/dbraw/zinc/89/08/53/364890853.db2.gz PACMQXUPUNHXDG-TZMCWYRMSA-N 1 0 289.379 2.396 10 0 CEAERO C[C@H]([NH3+])CCC(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000193287657 189639345 /nfs/dbraw/zinc/63/93/45/189639345.db2.gz ILWQHTMAYUNDDI-XQQFMLRXSA-N 1 0 296.436 2.290 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)Cc2c[nH]c3ccc(F)cc23)C1 ZINC000115361885 365002229 /nfs/dbraw/zinc/00/22/29/365002229.db2.gz ZFZFNVMGHJUNIC-CYBMUJFWSA-N 1 0 289.354 2.012 10 0 CEAERO O=C(CN1CCC[C@H]1c1ccco1)NC1CCCC1 ZINC000116295666 365050041 /nfs/dbraw/zinc/05/00/41/365050041.db2.gz QSBDBFBZDVCFKP-ZDUSSCGKSA-N 1 0 262.353 2.475 10 0 CEAERO Cn1cc([C@@H]2CC[N@H+](C[C@H](O)c3ccccc3F)C2)cn1 ZINC000116321097 365051668 /nfs/dbraw/zinc/05/16/68/365051668.db2.gz RVDQNKUJIKRDSJ-WBMJQRKESA-N 1 0 289.354 2.082 10 0 CEAERO Cn1cc([C@@H]2CC[N@H+](CCOc3ccccc3F)C2)cn1 ZINC000116320395 365051778 /nfs/dbraw/zinc/05/17/78/365051778.db2.gz JDHZIACOMXXDPZ-CYBMUJFWSA-N 1 0 289.354 2.428 10 0 CEAERO C[NH+]1CCC(NC(=O)N2CCC[C@H]2c2ccco2)CC1 ZINC000116521535 365059839 /nfs/dbraw/zinc/05/98/39/365059839.db2.gz OUOVMAVBTORUNZ-ZDUSSCGKSA-N 1 0 277.368 2.220 10 0 CEAERO C[C@@H]1C[C@@H]1NC(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000115674950 365022094 /nfs/dbraw/zinc/02/20/94/365022094.db2.gz ZVDORPXRMAGSPY-JYVUQVBGSA-N 1 0 279.428 2.301 10 0 CEAERO C[NH+](C)C[C@@H]1CN(C(=O)NC2CCCCCCC2)CCO1 ZINC000117023703 365088581 /nfs/dbraw/zinc/08/85/81/365088581.db2.gz OQLBDXUVDSWHPS-OAHLLOKOSA-N 1 0 297.443 2.071 10 0 CEAERO CCCC[C@@H](CC)CC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117261645 365098825 /nfs/dbraw/zinc/09/88/25/365098825.db2.gz AWHVLVRURNOHBJ-HUUCEWRRSA-N 1 0 284.444 2.382 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CC(F)(F)F ZINC000119593796 365296828 /nfs/dbraw/zinc/29/68/28/365296828.db2.gz FBZDPOMVBHOVQI-SNVBAGLBSA-N 1 0 266.307 2.175 10 0 CEAERO CC(C)CN1CCC[C@@H]1C[NH2+][C@@H](C)CCn1cccn1 ZINC000159147814 366882033 /nfs/dbraw/zinc/88/20/33/366882033.db2.gz ZKBDYEQKFMNABB-JKSUJKDBSA-N 1 0 278.444 2.372 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1c(C)nn(C)c1Cl ZINC000159002700 366868503 /nfs/dbraw/zinc/86/85/03/366868503.db2.gz CUDPPJXKGNVVJN-QWHCGFSZSA-N 1 0 296.846 2.441 10 0 CEAERO CCC1(C[NH+]2C[C@H](C)S(=O)[C@@H](C)C2)CCOCC1 ZINC000336089307 365393923 /nfs/dbraw/zinc/39/39/23/365393923.db2.gz YMXZUEYNTAJQGD-STQMWFEESA-N 1 0 273.442 2.035 10 0 CEAERO CC[C@H]1CN(Cc2cccs2)CC[N@@H+]1C[C@@H](C)O ZINC000120701226 365462280 /nfs/dbraw/zinc/46/22/80/365462280.db2.gz VXQRFPHWPVAYGI-OLZOCXBDSA-N 1 0 268.426 2.025 10 0 CEAERO COC(=O)c1sccc1CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000121018916 365512640 /nfs/dbraw/zinc/51/26/40/365512640.db2.gz GIJAGRBWRXJHAW-DGCLKSJQSA-N 1 0 294.420 2.203 10 0 CEAERO C[C@]1(C(=O)N2C[C@@H]3CCCC[C@@H]3C2)CCC[NH2+]C1 ZINC000237538502 291358666 /nfs/dbraw/zinc/35/86/66/291358666.db2.gz WIFYAUDLANKVGT-GUTXKFCHSA-N 1 0 250.386 2.025 10 0 CEAERO COCCN1CC[C@H]([NH2+]C2C3CC4CC(C3)CC2C4)C1 ZINC000340451993 366890443 /nfs/dbraw/zinc/89/04/43/366890443.db2.gz ODVNVWQLTHXAIZ-IKXAHOJESA-N 1 0 278.440 2.121 10 0 CEAERO Cn1ccnc1CN1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000120959408 365502184 /nfs/dbraw/zinc/50/21/84/365502184.db2.gz IESHSQUBIYWDNJ-BXUZGUMPSA-N 1 0 293.317 2.006 10 0 CEAERO C[C@]1(CNc2ncc(Br)cn2)CCC[NH2+]C1 ZINC000160004599 366965189 /nfs/dbraw/zinc/96/51/89/366965189.db2.gz LNGWTZJHSJCXQP-NSHDSACASA-N 1 0 285.189 2.041 10 0 CEAERO C[NH2+]C[C@H]1CCN(c2ncnc3c(C)csc32)C1 ZINC000222335356 189730546 /nfs/dbraw/zinc/73/05/46/189730546.db2.gz VWPKRKJKFVXSPY-SNVBAGLBSA-N 1 0 262.382 2.045 10 0 CEAERO Cc1ccc(C[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)o1 ZINC000583616511 367072641 /nfs/dbraw/zinc/07/26/41/367072641.db2.gz FMSUCDWJUQKNBD-ZBFHGGJFSA-N 1 0 285.347 2.045 10 0 CEAERO C[NH2+]C[C@@H]1CCCN(c2ccnc3cccnc32)C1 ZINC000341012548 367132077 /nfs/dbraw/zinc/13/20/77/367132077.db2.gz GVYRHYAIMYENLG-LBPRGKRZSA-N 1 0 256.353 2.066 10 0 CEAERO C[C@H](O)c1ccc2c(c1)[C@](C)(CC[NH+](C)C)CN2C ZINC000584619115 367174075 /nfs/dbraw/zinc/17/40/75/367174075.db2.gz DZSBARFFOHIDGH-BLLLJJGKSA-N 1 0 262.397 2.399 10 0 CEAERO C[C@H](C[NH2+]CCO)Oc1ccc(C(F)(F)F)cc1 ZINC000584643630 367174599 /nfs/dbraw/zinc/17/45/99/367174599.db2.gz SFBONCRITCGFAL-SECBINFHSA-N 1 0 263.259 2.055 10 0 CEAERO Cc1ccccc1SCC(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638884983 370819714 /nfs/dbraw/zinc/81/97/14/370819714.db2.gz LHFVOZDNBALTRU-OLZOCXBDSA-N 1 0 278.421 2.140 10 0 CEAERO C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2)C[C@@H]1C[NH3+] ZINC000638887174 370822352 /nfs/dbraw/zinc/82/23/52/370822352.db2.gz UQFKOQXLINIROL-ONGXEEELSA-N 1 0 286.297 2.372 10 0 CEAERO Cc1cc(C)c(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)c(C)c1 ZINC000638893691 370826026 /nfs/dbraw/zinc/82/60/26/370826026.db2.gz NPEIXTSNDZVJCI-UONOGXRCSA-N 1 0 260.381 2.279 10 0 CEAERO CCc1onc(C)c1NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000245623914 370850250 /nfs/dbraw/zinc/85/02/50/370850250.db2.gz POEYACZNKMFCFM-ZYHUDNBSSA-N 1 0 294.399 2.396 10 0 CEAERO C/C=C\C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000616568648 367231999 /nfs/dbraw/zinc/23/19/99/367231999.db2.gz CFCNXKYECYLHRK-FGXVQYDJSA-N 1 0 262.328 2.045 10 0 CEAERO O[C@]12CCCC[C@@H]1C[N@H+](CCc1cccnc1)CC2 ZINC000168687134 367357026 /nfs/dbraw/zinc/35/70/26/367357026.db2.gz GKOBULUQJSWNIZ-CVEARBPZSA-N 1 0 260.381 2.251 10 0 CEAERO C[C@H]1CN(Cc2ccc(Br)cn2)C[C@@H]1[NH+](C)C ZINC000168423314 367352946 /nfs/dbraw/zinc/35/29/46/367352946.db2.gz RCWMJGQYOIKYLR-GWCFXTLKSA-N 1 0 298.228 2.226 10 0 CEAERO Cc1nc(CC(=O)N[C@H](CC(C)C)C[NH+](C)C)c(C)s1 ZINC000164972319 367299874 /nfs/dbraw/zinc/29/98/74/367299874.db2.gz QUBDLMKBSAKFGS-CYBMUJFWSA-N 1 0 297.468 2.395 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)NCCCOC2CCCCC2)C1 ZINC000170826928 367425924 /nfs/dbraw/zinc/42/59/24/367425924.db2.gz FMADRZYSCZPVAG-AWEZNQCLSA-N 1 0 297.443 2.071 10 0 CEAERO COCc1cccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000171075773 367471773 /nfs/dbraw/zinc/47/17/73/367471773.db2.gz RHLBCDORTGJIJD-CQSZACIVSA-N 1 0 277.368 2.001 10 0 CEAERO Cc1ccccc1SCC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170861920 367434360 /nfs/dbraw/zinc/43/43/60/367434360.db2.gz MOMTUHWLJMKUBL-ZDUSSCGKSA-N 1 0 278.421 2.250 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)NCCc2ccc(Cl)cc2)C1 ZINC000170861863 367434746 /nfs/dbraw/zinc/43/47/46/367434746.db2.gz PGAUGSZOSSNEHS-AWEZNQCLSA-N 1 0 295.814 2.228 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc3ncccc3c2)C1 ZINC000170864491 367435886 /nfs/dbraw/zinc/43/58/86/367435886.db2.gz OXZKUEICISQGFK-AWEZNQCLSA-N 1 0 269.348 2.011 10 0 CEAERO CC(C)[NH+](CCNC(=O)N1CCS[C@@H](C)C1)C(C)C ZINC000171412260 367536057 /nfs/dbraw/zinc/53/60/57/367536057.db2.gz YDFNZOQSCTUDRM-ZDUSSCGKSA-N 1 0 287.473 2.252 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]CCC2(O)CCC2)c1C ZINC000342804869 367547218 /nfs/dbraw/zinc/54/72/18/367547218.db2.gz AFNXPYNPQKVIEN-LLVKDONJSA-N 1 0 265.401 2.476 10 0 CEAERO CCn1c(C)cc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000171279205 367513113 /nfs/dbraw/zinc/51/31/13/367513113.db2.gz LUWKPEZJEDKJAH-AWEZNQCLSA-N 1 0 275.396 2.045 10 0 CEAERO Cc1ccc(NC(=O)CN2C[C@@H](C)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000631843406 367584926 /nfs/dbraw/zinc/58/49/26/367584926.db2.gz 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ZINC000311000141 376647410 /nfs/dbraw/zinc/64/74/10/376647410.db2.gz IFAIXZHCYGKWJD-LLVKDONJSA-N 1 0 270.398 2.020 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCn1cc(Cl)cn1 ZINC000311397174 376666669 /nfs/dbraw/zinc/66/66/69/376666669.db2.gz PQFFQYXATPLERL-ZIAGYGMSSA-N 1 0 282.819 2.095 10 0 CEAERO CC(C)CC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000616569332 542153971 /nfs/dbraw/zinc/15/39/71/542153971.db2.gz IKEOZIPFEUJHQD-CABCVRRESA-N 1 0 260.381 2.294 10 0 CEAERO CCC1CC([NH2+]C[C@@H]2C[C@H](F)CN2Cc2cncnc2)C1 ZINC000330032023 377047988 /nfs/dbraw/zinc/04/79/88/377047988.db2.gz HHESTLNTTPAAFE-LVBITLCTSA-N 1 0 292.402 2.167 10 0 CEAERO CCC[C@H]([NH2+]C[C@@H]1CN(C)CCO1)C1CCCC1 ZINC000313467921 249395623 /nfs/dbraw/zinc/39/56/23/249395623.db2.gz LXWKEIIIZFVHSW-CABCVRRESA-N 1 0 254.418 2.266 10 0 CEAERO Cc1nc(CCN2CC[N@@H+]3CCCC[C@H]3C2)cs1 ZINC000300412546 379167067 /nfs/dbraw/zinc/16/70/67/379167067.db2.gz YKLXBHYYLVXCGJ-AWEZNQCLSA-N 1 0 265.426 2.164 10 0 CEAERO Cc1n[nH]cc1[C@@H](C)[NH2+][C@H]1CCc2nc(C(C)C)nn2C1 ZINC000180857854 542267991 /nfs/dbraw/zinc/26/79/91/542267991.db2.gz SHOIJZOGGNENGM-PWSUYJOCSA-N 1 0 288.399 2.099 10 0 CEAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cccc(F)c1Cl ZINC000334437887 380411806 /nfs/dbraw/zinc/41/18/06/380411806.db2.gz ITTFVZDHOQMZSH-KCJUWKMLSA-N 1 0 270.735 2.236 10 0 CEAERO O=C(/C=C\c1ccc(O)cc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000492405810 380541987 /nfs/dbraw/zinc/54/19/87/380541987.db2.gz DRFMEHQZROURKC-WUKHSURWSA-N 1 0 286.375 2.102 10 0 CEAERO C[C@@H]1C[C@@H](O)C[N@H+](Cc2cccc3cccnc32)C1 ZINC000334747593 207010062 /nfs/dbraw/zinc/01/00/62/207010062.db2.gz UNJODMUMGVJHJX-IUODEOHRSA-N 1 0 256.349 2.438 10 0 CEAERO C[C@H]([NH2+]CCCCCn1cccn1)[C@H]1CCCO1 ZINC000183154547 542287916 /nfs/dbraw/zinc/28/79/16/542287916.db2.gz YQGNNXBLNGPWRS-UONOGXRCSA-N 1 0 251.374 2.211 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+]CCCOC(C)C)C12CCOCC2 ZINC000186205506 270249295 /nfs/dbraw/zinc/24/92/95/270249295.db2.gz MEBIAURRIBQYEH-CABCVRRESA-N 1 0 285.428 2.365 10 0 CEAERO CC(C)N1C(=O)CC[C@H]([NH3+])[C@@H]1c1ccc2c(c1)CCO2 ZINC000070986677 184574324 /nfs/dbraw/zinc/57/43/24/184574324.db2.gz ZTXUARXSJILLAW-BBRMVZONSA-N 1 0 274.364 2.021 10 0 CEAERO CC[C@H](Sc1ccc([C@H](C)[NH2+]C)cc1)C(N)=O ZINC000079578865 184593899 /nfs/dbraw/zinc/59/38/99/184593899.db2.gz QQKYPQVBIWPUKI-CABZTGNLSA-N 1 0 252.383 2.323 10 0 CEAERO COc1ccccc1[C@H]([NH3+])CSc1nccn1C ZINC000081841029 184597185 /nfs/dbraw/zinc/59/71/85/184597185.db2.gz QBTJJJAYOWYZRY-LLVKDONJSA-N 1 0 263.366 2.221 10 0 CEAERO COC[C@@H]([NH2+]C[C@@H](C(=O)OC)c1ccccc1)C(C)C ZINC000086699288 184610198 /nfs/dbraw/zinc/61/01/98/184610198.db2.gz LJKYXYIHQPLESS-HUUCEWRRSA-N 1 0 279.380 2.204 10 0 CEAERO CC[C@H](C)NC(=O)[C@@H](C)OC1(C[NH3+])CCCCCC1 ZINC000086724869 184610346 /nfs/dbraw/zinc/61/03/46/184610346.db2.gz QEKXRWKXNDRBNE-QWHCGFSZSA-N 1 0 270.417 2.358 10 0 CEAERO C[NH2+]Cc1sccc1S(=O)(=O)N(C)c1ccccc1 ZINC000088911585 184614218 /nfs/dbraw/zinc/61/42/18/184614218.db2.gz OOFYWSNPMHXNFX-UHFFFAOYSA-N 1 0 296.417 2.293 10 0 CEAERO CCCCS(=O)(=O)[C@@H]1Cc2ccc(OC)cc2[C@H]1[NH2+]C ZINC000092911518 184634300 /nfs/dbraw/zinc/63/43/00/184634300.db2.gz WOAYIKVNFIEMCF-HUUCEWRRSA-N 1 0 297.420 2.095 10 0 CEAERO COCc1nc(C[NH2+][C@H]2CCS[C@@H]2C)cs1 ZINC000381586083 542355252 /nfs/dbraw/zinc/35/52/52/542355252.db2.gz HOMNFYNSALAPSN-SCZZXKLOSA-N 1 0 258.412 2.273 10 0 CEAERO CCn1cc(CC2(c3ccc(C)cc3)C[NH2+]C2)cn1 ZINC000093196054 184654618 /nfs/dbraw/zinc/65/46/18/184654618.db2.gz GBMHJAPVWRZSCS-UHFFFAOYSA-N 1 0 255.365 2.295 10 0 CEAERO CC(C)n1ncnc1CC1(Cc2ccccc2)C[NH2+]C1 ZINC000093195562 184654637 /nfs/dbraw/zinc/65/46/37/184654637.db2.gz DFRFLEWYOKNCPM-UHFFFAOYSA-N 1 0 270.380 2.234 10 0 CEAERO Cc1cc(CC2(c3ccccc3Cl)C[NH2+]C2)n(C)n1 ZINC000093196806 184654814 /nfs/dbraw/zinc/65/48/14/184654814.db2.gz JPIHUEUYQKCSOC-UHFFFAOYSA-N 1 0 275.783 2.466 10 0 CEAERO CCC[C@H](C[NH3+])[C@@H](O)c1ccc(OC)c(OC)c1OC ZINC000093080988 184647283 /nfs/dbraw/zinc/64/72/83/184647283.db2.gz AFPKUXHGMNEZOX-ZWNOBZJWSA-N 1 0 283.368 2.121 10 0 CEAERO CCS(=O)(=O)CC[C@@H](C[NH2+]C)c1ccccc1C ZINC000093105233 184649733 /nfs/dbraw/zinc/64/97/33/184649733.db2.gz BFINCJDQQBWCRO-ZDUSSCGKSA-N 1 0 269.410 2.123 10 0 CEAERO CC[NH2+]C[C@H](CCCS(C)(=O)=O)c1cccc(F)c1 ZINC000093164174 184652709 /nfs/dbraw/zinc/65/27/09/184652709.db2.gz CYQUKCAOFMSSDR-ZDUSSCGKSA-N 1 0 287.400 2.344 10 0 CEAERO CC(C)[NH2+]C[C@H](Cc1ncnn1C)c1ccccc1F ZINC000093177931 184653345 /nfs/dbraw/zinc/65/33/45/184653345.db2.gz NFYFVEQSINNDNF-LBPRGKRZSA-N 1 0 276.359 2.279 10 0 CEAERO CCc1ccc([C@@H](C)NC[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000289345228 197305782 /nfs/dbraw/zinc/30/57/82/197305782.db2.gz JXQCRCLSWQFZKE-DYVFJYSZSA-N 1 0 276.424 2.355 10 0 CEAERO Cn1nc(Br)cc1[C@@H]1[NH2+]CCc2sccc21 ZINC000709304766 542374562 /nfs/dbraw/zinc/37/45/62/542374562.db2.gz KBMUOOWUIFPFJA-LLVKDONJSA-N 1 0 298.209 2.479 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)OC(C)(C)C ZINC000092632056 285241270 /nfs/dbraw/zinc/24/12/70/285241270.db2.gz HUBXULBQGWFXQF-QWHCGFSZSA-N 1 0 270.417 2.133 10 0 CEAERO O[C@@H](C[C@H]1CCCC[NH2+]1)c1ccc2c(c1)OCCO2 ZINC000093517226 184686676 /nfs/dbraw/zinc/68/66/76/184686676.db2.gz ZBKNGRFMBZWMGL-OLZOCXBDSA-N 1 0 263.337 2.023 10 0 CEAERO [NH2+]=C1NC[C@@H](c2c(F)cccc2Cl)N1C[C@H]1CCCO1 ZINC000093377708 184668815 /nfs/dbraw/zinc/66/88/15/184668815.db2.gz SOGVCLPITWAVQD-SKDRFNHKSA-N 1 0 297.761 2.330 10 0 CEAERO CCCCS(=O)(=O)[C@H]1C[C@@H](C)CC[C@@H]1[NH2+]CC ZINC000081973576 177909264 /nfs/dbraw/zinc/90/92/64/177909264.db2.gz ZDXMFMSRGWOHKZ-AVGNSLFASA-N 1 0 261.431 2.368 10 0 CEAERO CC(C)[NH2+]CCS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000081962163 177908771 /nfs/dbraw/zinc/90/87/71/177908771.db2.gz GOKGEBZMAXGBPY-UHFFFAOYSA-N 1 0 279.764 2.251 10 0 CEAERO CCC[NH2+][C@@H](CCC)CSc1nnc(C)n1C ZINC000081886450 177877997 /nfs/dbraw/zinc/87/79/97/177877997.db2.gz YQGCLUCCCUSFGV-NSHDSACASA-N 1 0 256.419 2.384 10 0 CEAERO Cc1nnc(S[C@H](C)[C@@H]([NH3+])c2ccccc2)n1C ZINC000081886441 177878023 /nfs/dbraw/zinc/87/80/23/177878023.db2.gz ZGQJTXZIHIYTRL-BXKDBHETSA-N 1 0 262.382 2.304 10 0 CEAERO CC(C)n1c(S[C@@H](C)[C@@H]([NH3+])c2ccccc2)n[nH]c1=O ZINC000081881901 177876416 /nfs/dbraw/zinc/87/64/16/177876416.db2.gz NUZKWJHZOFGJSN-CMPLNLGQSA-N 1 0 292.408 2.333 10 0 CEAERO CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1Sc1nncn1C ZINC000081867341 177867531 /nfs/dbraw/zinc/86/75/31/177867531.db2.gz BVDRSAYNXMVBIS-DCAQKATOSA-N 1 0 254.403 2.074 10 0 CEAERO Cc1ccc([C@H]([NH3+])[C@@H](C)Sc2nncn2C)cc1 ZINC000081867296 177867018 /nfs/dbraw/zinc/86/70/18/177867018.db2.gz VHWJYADUYWZIJD-ZYHUDNBSSA-N 1 0 262.382 2.304 10 0 CEAERO CCCCN(C[C@H](O)C[NH2+]CC)c1ccccc1 ZINC000081600538 177829197 /nfs/dbraw/zinc/82/91/97/177829197.db2.gz MYSUXJRPUSSBCW-OAHLLOKOSA-N 1 0 250.386 2.264 10 0 CEAERO CC(C)[C@@H](C)C[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC000081059406 177762409 /nfs/dbraw/zinc/76/24/09/177762409.db2.gz FSKQTVBKYBUYCD-LBPRGKRZSA-N 1 0 259.353 2.076 10 0 CEAERO CC[C@@](C)(C[NH3+])Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000080885506 177722907 /nfs/dbraw/zinc/72/29/07/177722907.db2.gz CTAXNFRLPYFQQO-LBPRGKRZSA-N 1 0 292.351 2.222 10 0 CEAERO CC(C)[NH2+]Cc1cccc2c1ccn2CC(=O)NC1CC1 ZINC000080336775 177643600 /nfs/dbraw/zinc/64/36/00/177643600.db2.gz BDCCXOQQEOUVDN-UHFFFAOYSA-N 1 0 285.391 2.418 10 0 CEAERO CC(C)[NH2+][C@@H]1CCCN([C@H](C)c2nccs2)C1=O ZINC000080331603 177642888 /nfs/dbraw/zinc/64/28/88/177642888.db2.gz HYUZDUAGTIPODK-GHMZBOCLSA-N 1 0 267.398 2.193 10 0 CEAERO CC(C)[C@H]1C[C@@](CN)([N@H+](CC2CC2)C2CC2)CCO1 ZINC000080366831 177645957 /nfs/dbraw/zinc/64/59/57/177645957.db2.gz PBPOJASWXCTPNX-CVEARBPZSA-N 1 0 266.429 2.393 10 0 CEAERO O[C@H](C[N@@H+]1CCO[C@H]2CCCC[C@H]21)c1ccccc1 ZINC000252412701 285352953 /nfs/dbraw/zinc/35/29/53/285352953.db2.gz AWVXIRYCMVPHQK-OAGGEKHMSA-N 1 0 261.365 2.363 10 0 CEAERO CC[C@H](C)c1ccccc1O[C@@H]1CC[C@]([NH3+])(C(N)=O)C1 ZINC000093846546 184732227 /nfs/dbraw/zinc/73/22/27/184732227.db2.gz HFYUYXWTVNLVAI-HWWQOWPSSA-N 1 0 276.380 2.314 10 0 CEAERO CC[NH2+][C@@]1(C(=O)[O-])CCC[C@@H]1CC[NH+]1CCCCC1 ZINC000093584465 184692293 /nfs/dbraw/zinc/69/22/93/184692293.db2.gz ZHXQRCPSROAOSY-HIFRSBDPSA-N 1 0 268.401 2.095 10 0 CEAERO C[NH2+][C@@]1(CO)CCC[C@@H]1CCN(C)c1ccccc1F ZINC000093615437 184695310 /nfs/dbraw/zinc/69/53/10/184695310.db2.gz AYALLSLDIVPJQN-CZUORRHYSA-N 1 0 280.387 2.403 10 0 CEAERO CC[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCOc1ccccc1F ZINC000093624787 184697786 /nfs/dbraw/zinc/69/77/86/184697786.db2.gz CPNKBTAKUUEWMY-MLGOLLRUSA-N 1 0 294.370 2.228 10 0 CEAERO [NH3+]C[C@]1(O)CCC[C@H]1CCOc1cccc(F)c1 ZINC000093628103 184698984 /nfs/dbraw/zinc/69/89/84/184698984.db2.gz DKJTYYUAOUCZAH-SMDDNHRTSA-N 1 0 253.317 2.085 10 0 CEAERO C[NH2+][C@@H]1CCCc2nc(-c3cnn(C)c3C)sc21 ZINC000093652048 184702713 /nfs/dbraw/zinc/70/27/13/184702713.db2.gz SBRRJKIUAYTMLZ-SNVBAGLBSA-N 1 0 262.382 2.449 10 0 CEAERO CO[C@@H](C)c1noc(CC[C@@H](CC[NH3+])C(C)C)n1 ZINC000093688668 184706566 /nfs/dbraw/zinc/70/65/66/184706566.db2.gz JDVPEFVNZPIYSQ-QWRGUYRKSA-N 1 0 255.362 2.331 10 0 CEAERO CCC[C@H](CC[NH3+])CCc1nc([C@H](C)OC)no1 ZINC000093688812 184706883 /nfs/dbraw/zinc/70/68/83/184706883.db2.gz CORSIAJRBMKZPV-QWRGUYRKSA-N 1 0 255.362 2.475 10 0 CEAERO CC(C)(C)[NH2+]CC1CC[NH+](CC(C)(C)C(=O)[O-])CC1 ZINC000093728429 184710432 /nfs/dbraw/zinc/71/04/32/184710432.db2.gz WDXNBMMMYJBKNK-UHFFFAOYSA-N 1 0 270.417 2.197 10 0 CEAERO COc1ccc(S[C@@H]2CCC[C@@]([NH3+])(CO)C2)cc1 ZINC000093786639 184722198 /nfs/dbraw/zinc/72/21/98/184722198.db2.gz RUIWUGHJFRCDSR-KGLIPLIRSA-N 1 0 267.394 2.420 10 0 CEAERO OCC1(C[N@@H+]2CCN3CCCC[C@@H]3C2)CCCCCC1 ZINC000094443096 184801369 /nfs/dbraw/zinc/80/13/69/184801369.db2.gz GFNMMANTJJNCPK-MRXNPFEDSA-N 1 0 280.456 2.489 10 0 CEAERO CC(C)(C)[NH2+]Cc1ccc(SC[C@@H](O)CO)cc1 ZINC000093960591 184746218 /nfs/dbraw/zinc/74/62/18/184746218.db2.gz FGLGHCAKTUGMJO-LBPRGKRZSA-N 1 0 269.410 2.020 10 0 CEAERO CCN(CC1CC[NH2+]CC1)C(=O)[C@@H]1Cc2ccccc21 ZINC000094022290 184750134 /nfs/dbraw/zinc/75/01/34/184750134.db2.gz REWKMAJUNMCSPB-MRXNPFEDSA-N 1 0 272.392 2.174 10 0 CEAERO CCCCNC(=O)N(CCC)CC1CC[NH2+]CC1 ZINC000094023613 184750959 /nfs/dbraw/zinc/75/09/59/184750959.db2.gz WTTWTFSUYZSKQF-UHFFFAOYSA-N 1 0 255.406 2.208 10 0 CEAERO CCCN(CC1CC[NH2+]CC1)C(=O)c1ccco1 ZINC000094022830 184751248 /nfs/dbraw/zinc/75/12/48/184751248.db2.gz YMHJBEYVVAVVKU-UHFFFAOYSA-N 1 0 250.342 2.131 10 0 CEAERO COc1ccc([C@@H]([NH3+])c2ccc(F)cn2)cc1OC ZINC000094046167 184752606 /nfs/dbraw/zinc/75/26/06/184752606.db2.gz DAYUESYQBPLVJW-CQSZACIVSA-N 1 0 262.284 2.286 10 0 CEAERO CN(C)C(=O)c1cccc(NC2CCC([NH3+])CC2)c1 ZINC000094080034 184753857 /nfs/dbraw/zinc/75/38/57/184753857.db2.gz XMSXWVRNCAFTGU-UHFFFAOYSA-N 1 0 261.369 2.070 10 0 CEAERO [NH3+][C@@H](Cc1ccncc1)[C@@H]1CCCc2cccnc21 ZINC000094117401 184755987 /nfs/dbraw/zinc/75/59/87/184755987.db2.gz IHYKFIGHEDSAQC-GJZGRUSLSA-N 1 0 253.349 2.467 10 0 CEAERO CCc1ccc(C[C@@](C)(O)C[NH2+]C(C)(C)C)nc1 ZINC000094140935 184756149 /nfs/dbraw/zinc/75/61/49/184756149.db2.gz FMGSDQMQTWLPPK-OAHLLOKOSA-N 1 0 250.386 2.326 10 0 CEAERO CC[NH+](CC)C(CC)(CC)[C@H](O)Cc1nccn1C ZINC000094144556 184756665 /nfs/dbraw/zinc/75/66/65/184756665.db2.gz DEKMJUMORBJDGE-CYBMUJFWSA-N 1 0 267.417 2.224 10 0 CEAERO C[NH2+][C@@H](Cc1nc2ccccc2n1C)C(C)(C)OC ZINC000094171940 184759090 /nfs/dbraw/zinc/75/90/90/184759090.db2.gz BGAQJKPHKFIQFG-ZDUSSCGKSA-N 1 0 261.369 2.129 10 0 CEAERO C[C@@H]1CC[C@H](CNC(=O)c2ccc(F)c(F)c2F)C[NH2+]1 ZINC000094184042 184760254 /nfs/dbraw/zinc/76/02/54/184760254.db2.gz KOHGAGMJTFHLGK-BDAKNGLRSA-N 1 0 286.297 2.222 10 0 CEAERO CC1CC[NH+](CCNC(=O)c2c(F)ccc(N)c2F)CC1 ZINC000094189751 184760607 /nfs/dbraw/zinc/76/06/07/184760607.db2.gz JXEYZHNLKHJVPP-UHFFFAOYSA-N 1 0 297.349 2.009 10 0 CEAERO Cc1ncsc1CCOc1ccc(C[C@@H](C)[NH3+])nc1 ZINC000094215932 184763620 /nfs/dbraw/zinc/76/36/20/184763620.db2.gz RFZKDIICDVBWMP-SNVBAGLBSA-N 1 0 277.393 2.358 10 0 CEAERO CC[C@@](C)([NH3+])C(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000094232430 184766822 /nfs/dbraw/zinc/76/68/22/184766822.db2.gz GTMXQZJTVCOZNP-CQSZACIVSA-N 1 0 264.325 2.260 10 0 CEAERO CCC([NH3+])(CC)C(=O)NCc1ccccc1Cl ZINC000094243480 184769356 /nfs/dbraw/zinc/76/93/56/184769356.db2.gz OOQWYVXHAHCVBW-UHFFFAOYSA-N 1 0 254.761 2.474 10 0 CEAERO C[NH2+]CC[C@@](C)(O)Cc1nc2ccccc2s1 ZINC000094251989 184769715 /nfs/dbraw/zinc/76/97/15/184769715.db2.gz YHFUTEGLFCCUJU-CYBMUJFWSA-N 1 0 250.367 2.199 10 0 CEAERO C[C@@H]([NH3+])[C@@](O)(Cc1nc2ccccc2s1)C(F)(F)F ZINC000094250130 184769932 /nfs/dbraw/zinc/76/99/32/184769932.db2.gz TZTKEMOCRLUUBJ-HQJQHLMTSA-N 1 0 290.310 2.479 10 0 CEAERO Cc1nn(-c2ccncn2)c(C)c1C[C@H](C)C[NH2+]C(C)C ZINC000094259466 184770816 /nfs/dbraw/zinc/77/08/16/184770816.db2.gz NIRVROUOBROCCX-LBPRGKRZSA-N 1 0 287.411 2.456 10 0 CEAERO CC1(C)CC[C@@](C[NH3+])(Cc2ccc(F)cc2)[C@@H]1O ZINC000094314728 184779544 /nfs/dbraw/zinc/77/95/44/184779544.db2.gz FOQXIBNYDYCKCH-HIFRSBDPSA-N 1 0 251.345 2.494 10 0 CEAERO Cc1cccc(-c2nc(CN3CC[C@H]([NH3+])[C@H](C)C3)no2)c1 ZINC000094342016 184786055 /nfs/dbraw/zinc/78/60/55/184786055.db2.gz WFNLPVCUUUFLDS-OCCSQVGLSA-N 1 0 286.379 2.214 10 0 CEAERO C[NH2+]Cc1cccc(O[C@H]2CCO[C@]3(CCOC3)C2)c1 ZINC000094363687 184789237 /nfs/dbraw/zinc/78/92/37/184789237.db2.gz ASGQWSJOPXLCIV-JKSUJKDBSA-N 1 0 277.364 2.123 10 0 CEAERO C(O[C@@H]1CCOC2(CCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000094380829 184791473 /nfs/dbraw/zinc/79/14/73/184791473.db2.gz XPCBTCNPRFHUSX-ZIAGYGMSSA-N 1 0 253.386 2.494 10 0 CEAERO [NH3+]C1([C@H]2CCOC3(CCOCC3)C2)Cc2ccccc2C1 ZINC000094390251 184792649 /nfs/dbraw/zinc/79/26/49/184792649.db2.gz SOKWPQFJGHGFAF-INIZCTEOSA-N 1 0 287.403 2.459 10 0 CEAERO Cn1cc([C@H]([NH3+])[C@H]2CCOC3(CCSCC3)C2)cn1 ZINC000094404809 184793368 /nfs/dbraw/zinc/79/33/68/184793368.db2.gz CYJCGOQGLBNRIF-WCQYABFASA-N 1 0 281.425 2.112 10 0 CEAERO COCC[C@H]([NH3+])[C@@H]1CCOC2(CCSCC2)C1 ZINC000094400489 184793403 /nfs/dbraw/zinc/79/34/03/184793403.db2.gz XWJTYHFVQJHILS-NEPJUHHUSA-N 1 0 259.415 2.043 10 0 CEAERO CC(C)([C@H](O)[C@@H]1CCOC2(CCOCC2)C1)[NH+]1CCCC1 ZINC000094396730 184793507 /nfs/dbraw/zinc/79/35/07/184793507.db2.gz NGRFUDLDEVYAAA-HUUCEWRRSA-N 1 0 297.439 2.198 10 0 CEAERO [NH3+][C@@H](C1CCOCC1)[C@@H]1CCOC2(CCSCC2)C1 ZINC000094405223 184793955 /nfs/dbraw/zinc/79/39/55/184793955.db2.gz JWOSRJDABWJURM-KGLIPLIRSA-N 1 0 285.453 2.433 10 0 CEAERO C[C@@](O)(C[NH2+]C1CC1)[C@H]1CCOC2(CCCC2)C1 ZINC000094418892 184794971 /nfs/dbraw/zinc/79/49/71/184794971.db2.gz NVKVSWLLAUMZBV-GXTWGEPZSA-N 1 0 253.386 2.229 10 0 CEAERO CC(C)[NH2+]Cc1cn([C@@H]2CCOC3(CCCC3)C2)nn1 ZINC000094419086 184795025 /nfs/dbraw/zinc/79/50/25/184795025.db2.gz AWJIGQFTKKCQTB-CQSZACIVSA-N 1 0 278.400 2.440 10 0 CEAERO CC(C)[NH2+]C[C@](C)(O)[C@@H]1CCOC2(CCCC2)C1 ZINC000094418862 184795115 /nfs/dbraw/zinc/79/51/15/184795115.db2.gz BNCCLAZTZACPCB-KGLIPLIRSA-N 1 0 255.402 2.475 10 0 CEAERO [NH3+]C[C@@H](Nc1ccc2nccnc2n1)c1ccccc1 ZINC000094727532 184848165 /nfs/dbraw/zinc/84/81/65/184848165.db2.gz GYIZNRNDQIOMCV-CYBMUJFWSA-N 1 0 265.320 2.137 10 0 CEAERO Cc1ccc(CN(C)C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])o1 ZINC000094749829 184852253 /nfs/dbraw/zinc/85/22/53/184852253.db2.gz UYYZSCWBOOKSPY-KGLIPLIRSA-N 1 0 264.369 2.454 10 0 CEAERO CCC[NH2+]Cc1ccc(CN2C[C@H](C)O[C@@H](C)C2)nc1 ZINC000094755895 184853917 /nfs/dbraw/zinc/85/39/17/184853917.db2.gz ZPKBMVINDPGTMR-KBPBESRZSA-N 1 0 277.412 2.190 10 0 CEAERO C[C@]1(c2noc(-c3cccc(C[NH3+])c3)n2)CCCO1 ZINC000094781264 184863089 /nfs/dbraw/zinc/86/30/89/184863089.db2.gz ILRCEXICGFZVNM-CQSZACIVSA-N 1 0 259.309 2.221 10 0 CEAERO C[C@H](O)c1ccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000094466282 184806153 /nfs/dbraw/zinc/80/61/53/184806153.db2.gz RSHRBLKDBPKRPZ-SWLSCSKDSA-N 1 0 289.379 2.052 10 0 CEAERO CNC(=O)[C@H](CC(C)C)[NH2+][C@H]1CCCS[C@@H]1C ZINC000094477734 184808103 /nfs/dbraw/zinc/80/81/03/184808103.db2.gz ILDGZGBGHAOTCI-WOPDTQHZSA-N 1 0 258.431 2.021 10 0 CEAERO [NH3+]CCc1ccccc1-c1nc([C@H]2CSCCO2)no1 ZINC000094502191 184811050 /nfs/dbraw/zinc/81/10/50/184811050.db2.gz RMLRGZZBPZIFFU-GFCCVEGCSA-N 1 0 291.376 2.042 10 0 CEAERO Cc1nc([C@H]2CSCCO2)nc(C)c1C[NH2+]C(C)C ZINC000094505484 184811931 /nfs/dbraw/zinc/81/19/31/184811931.db2.gz YEDMZYDXVQEQMC-CYBMUJFWSA-N 1 0 281.425 2.396 10 0 CEAERO C[C@@H]1C[C@H]([NH3+])CN(C(=O)Cc2c(F)cccc2Cl)C1 ZINC000094549422 184815653 /nfs/dbraw/zinc/81/56/53/184815653.db2.gz MSEVERZUPZCSIA-ZJUUUORDSA-N 1 0 284.762 2.217 10 0 CEAERO Cc1ccc(Cc2noc([C@@H]3CC[C@H](C[NH3+])O3)n2)cc1 ZINC000094560967 184818576 /nfs/dbraw/zinc/81/85/76/184818576.db2.gz FXHPCPARLWOQSZ-OLZOCXBDSA-N 1 0 273.336 2.148 10 0 CEAERO CC(C)(C)c1ccccc1NC(=O)[C@H]1CC[C@H](C[NH3+])O1 ZINC000094566067 184819365 /nfs/dbraw/zinc/81/93/65/184819365.db2.gz ISNJXOUPFSHBKZ-BXUZGUMPSA-N 1 0 276.380 2.429 10 0 CEAERO [NH3+][C@H](CNc1nc2ccc(Cl)cn2n1)c1ccccc1 ZINC000094607845 184825504 /nfs/dbraw/zinc/82/55/04/184825504.db2.gz TXFGGCIVHTYMJK-GFCCVEGCSA-N 1 0 287.754 2.495 10 0 CEAERO C[NH2+]C1CCC(N(C)c2nc3ccc(C)cn3n2)CC1 ZINC000094609184 184825535 /nfs/dbraw/zinc/82/55/35/184825535.db2.gz KBKVFWPFRNIEIQ-UHFFFAOYSA-N 1 0 273.384 2.005 10 0 CEAERO Cc1ccn2nc(N3CCC[C@H](C[NH2+]C(C)C)C3)nc2c1 ZINC000094607892 184825789 /nfs/dbraw/zinc/82/57/89/184825789.db2.gz HDVXZHHTDINVJR-CQSZACIVSA-N 1 0 287.411 2.252 10 0 CEAERO CC[NH2+][C@@H]1CC[C@H](S(=O)(=O)c2cccc(F)c2)[C@@H]1C ZINC000094624936 184829037 /nfs/dbraw/zinc/82/90/37/184829037.db2.gz OWUHIWNRQFPKJR-HONMWMINSA-N 1 0 285.384 2.376 10 0 CEAERO CC[C@H](CC[C@H]1CCC[C@H](S(C)(=O)=O)C1)[NH2+]C ZINC000094644634 184832118 /nfs/dbraw/zinc/83/21/18/184832118.db2.gz VSTVIGQCOCOKDX-UPJWGTAASA-N 1 0 261.431 2.368 10 0 CEAERO COc1cc(OC)cc([C@@H]([NH3+])Cc2cccnc2)c1 ZINC000094651060 184834688 /nfs/dbraw/zinc/83/46/88/184834688.db2.gz DBFFUZUOLCEZRF-HNNXBMFYSA-N 1 0 258.321 2.341 10 0 CEAERO COC(=O)c1cc(NC[C@@H]2CCC[N@H+](C)C2)cc(C)c1N ZINC000094695078 184840257 /nfs/dbraw/zinc/84/02/57/184840257.db2.gz YDKBCXSWTBQUMA-LBPRGKRZSA-N 1 0 291.395 2.118 10 0 CEAERO COc1ccc([C@@H]2CNC(=[NH2+])N2C)c2ccccc12 ZINC000094693850 184840744 /nfs/dbraw/zinc/84/07/44/184840744.db2.gz WEDAYCLXOPBWDV-ZDUSSCGKSA-N 1 0 255.321 2.150 10 0 CEAERO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]CC2(C)COC2)C1 ZINC000094721810 184846526 /nfs/dbraw/zinc/84/65/26/184846526.db2.gz QHIAUKDVPATHJU-RYUDHWBXSA-N 1 0 284.400 2.058 10 0 CEAERO CCOc1ccc(NC(=O)[C@]2([NH3+])CCC[C@@H](C)C2)cn1 ZINC000094988967 184910700 /nfs/dbraw/zinc/91/07/00/184910700.db2.gz QNFFBTFBKCCJFN-ABAIWWIYSA-N 1 0 277.368 2.326 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(NC(=O)CCCOC)cc1 ZINC000095035449 184920457 /nfs/dbraw/zinc/92/04/57/184920457.db2.gz ADHVOMLQSGSJHC-NSHDSACASA-N 1 0 250.342 2.332 10 0 CEAERO C[C@H](NC(=O)Cc1c(F)cccc1F)[C@@H]1CCCC[NH2+]1 ZINC000095048495 184924360 /nfs/dbraw/zinc/92/43/60/184924360.db2.gz XQWVWKMCFSYXKH-HZMBPMFUSA-N 1 0 282.334 2.154 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1CNC(=O)Cc1ccc(F)c(F)c1 ZINC000095061984 184926916 /nfs/dbraw/zinc/92/69/16/184926916.db2.gz DMPNRMGMZNRZIQ-QWHCGFSZSA-N 1 0 296.361 2.389 10 0 CEAERO COc1nc2ccccc2nc1OCC1CC[NH2+]CC1 ZINC000095071721 184933416 /nfs/dbraw/zinc/93/34/16/184933416.db2.gz ZJGBVJZFOYFMLE-UHFFFAOYSA-N 1 0 273.336 2.017 10 0 CEAERO CO[C@@H]1CC[N@H+](C[C@H](O)COCc2ccccc2)[C@H](C)C1 ZINC000281516289 195271703 /nfs/dbraw/zinc/27/17/03/195271703.db2.gz AJEIONLDRBBHKD-HYVNUMGLSA-N 1 0 293.407 2.063 10 0 CEAERO CCOC(=O)[C@](C)(C[N@H+](C)C1CCC(C)(C)CC1)NC ZINC000094860912 184883615 /nfs/dbraw/zinc/88/36/15/184883615.db2.gz QLOHNVZGKYBHRF-INIZCTEOSA-N 1 0 284.444 2.428 10 0 CEAERO c1nc2c(c(OC[C@@H]3CCC[NH2+]C3)n1)CCCCC2 ZINC000094888402 184888555 /nfs/dbraw/zinc/88/85/55/184888555.db2.gz NZOGPDMADMFTGJ-GFCCVEGCSA-N 1 0 261.369 2.124 10 0 CEAERO c1nc2c(c(N3CCC[C@@H]3C[NH2+]C3CC3)n1)CCCCC2 ZINC000094888456 184888581 /nfs/dbraw/zinc/88/85/81/184888581.db2.gz VCGPKCXLKPMVLU-CQSZACIVSA-N 1 0 286.423 2.466 10 0 CEAERO CC(C)CC1(C(=O)NCC2CC([NH3+])C2)CCCC1 ZINC000094909406 184890706 /nfs/dbraw/zinc/89/07/06/184890706.db2.gz UVVTZCKOZYUWQV-UHFFFAOYSA-N 1 0 252.402 2.446 10 0 CEAERO C[C@@H]1NC(=O)CC[C@H]1Nc1cc[nH+]c2ccccc12 ZINC000281660546 195325982 /nfs/dbraw/zinc/32/59/82/195325982.db2.gz ONMCJLTUXBOIFU-CMPLNLGQSA-N 1 0 255.321 2.314 10 0 CEAERO O[C@]12CCCC[C@@H]1C[N@H+](C[C@@H]1CCCOC1)CC2 ZINC000336723456 285379081 /nfs/dbraw/zinc/37/90/81/285379081.db2.gz ZJDXQGGMQNLLFV-ZNMIVQPWSA-N 1 0 253.386 2.040 10 0 CEAERO C[C@@H](CC(=O)N1CCO[C@H](C[NH+](C)C)C1)C1CCCCC1 ZINC000116783514 533418832 /nfs/dbraw/zinc/41/88/32/533418832.db2.gz YQDWJLFQTLYFOI-GOEBONIOSA-N 1 0 296.455 2.382 10 0 CEAERO O=S1(=O)CCC([NH2+]C2CCC(C(F)(F)F)CC2)CC1 ZINC000037099292 304785148 /nfs/dbraw/zinc/78/51/48/304785148.db2.gz IXAVJEAXEGALKD-UHFFFAOYSA-N 1 0 299.358 2.274 10 0 CEAERO [NH3+]C1CCN(c2nccn3nc(-c4cccs4)cc23)CC1 ZINC000070459261 134949685 /nfs/dbraw/zinc/94/96/85/134949685.db2.gz MKVVXRJXXCJNPP-UHFFFAOYSA-N 1 0 299.403 2.385 10 0 CEAERO CC(C)Oc1cncc(N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000071176179 134959385 /nfs/dbraw/zinc/95/93/85/134959385.db2.gz GAWKNRHPTODVGM-KBPBESRZSA-N 1 0 290.411 2.375 10 0 CEAERO C[C@H]1CCc2ccccc2N1C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085355399 135036203 /nfs/dbraw/zinc/03/62/03/135036203.db2.gz UXGZUBIUPNYBHB-UBHSHLNASA-N 1 0 258.365 2.482 10 0 CEAERO Cc1cccc2c1N(C(=O)[C@H]1CCC[C@@H]1[NH3+])CCC2 ZINC000085371952 135036468 /nfs/dbraw/zinc/03/64/68/135036468.db2.gz POPQDUHMNISBIN-KBPBESRZSA-N 1 0 258.365 2.402 10 0 CEAERO CC[C@]1(C)CN(c2cc(OC)cc(OC)c2)CC[NH2+]1 ZINC000086122987 135038633 /nfs/dbraw/zinc/03/86/33/135038633.db2.gz DFARTDRYPWCBTB-OAHLLOKOSA-N 1 0 264.369 2.282 10 0 CEAERO CC1(C)CN(c2ccccc2OC(F)F)CC[NH2+]1 ZINC000086127125 135039412 /nfs/dbraw/zinc/03/94/12/135039412.db2.gz FSJDMLWRTCZRQM-UHFFFAOYSA-N 1 0 256.296 2.476 10 0 CEAERO COc1cc(F)ccc1N1CC[NH2+][C@](C)(C2CC2)C1 ZINC000086145060 135039418 /nfs/dbraw/zinc/03/94/18/135039418.db2.gz WGDMKUNGXRLDKA-HNNXBMFYSA-N 1 0 264.344 2.413 10 0 CEAERO Fc1cc(F)c(N2CC[NH2+][C@@H](C3CC3)C2)cc1F ZINC000086147827 135039455 /nfs/dbraw/zinc/03/94/55/135039455.db2.gz TXFCBDHNQCKGOM-GFCCVEGCSA-N 1 0 256.271 2.292 10 0 CEAERO NNc1nc(N2CCc3sccc3C2)c(Cl)c[nH+]1 ZINC000087897541 135052130 /nfs/dbraw/zinc/05/21/30/135052130.db2.gz OZGMIZAENZKBLF-UHFFFAOYSA-N 1 0 281.772 2.040 10 0 CEAERO CC[NH2+][C@@H](C)[C@@H]1CCCN(c2nc(C)cnc2C)C1 ZINC000088057494 135052312 /nfs/dbraw/zinc/05/23/12/135052312.db2.gz VRORSYJTHSUOFH-GXTWGEPZSA-N 1 0 262.401 2.308 10 0 CEAERO CCC[NH2+]C[C@H](C)S(=O)(=O)N1CCCc2ccccc21 ZINC000088925071 135057621 /nfs/dbraw/zinc/05/76/21/135057621.db2.gz QNSAFFZLLRWLQD-ZDUSSCGKSA-N 1 0 296.436 2.157 10 0 CEAERO C[C@@H](CC[NH3+])SCC(=O)N1CCCc2ccccc21 ZINC000090354235 135062763 /nfs/dbraw/zinc/06/27/63/135062763.db2.gz PZOIKTKDMFWTTM-LBPRGKRZSA-N 1 0 278.421 2.436 10 0 CEAERO Nc1ccsc1C[NH2+]C1CCN(c2ccccn2)CC1 ZINC000090959421 135066848 /nfs/dbraw/zinc/06/68/48/135066848.db2.gz IIVGTYOJRUIXSP-UHFFFAOYSA-N 1 0 288.420 2.484 10 0 CEAERO CCn1ccc(C[NH2+][C@H]2CCCN(c3ncccn3)C2)c1 ZINC000091011551 135067031 /nfs/dbraw/zinc/06/70/31/135067031.db2.gz GFOJLHOPZCKMMG-HNNXBMFYSA-N 1 0 285.395 2.057 10 0 CEAERO C[C@@H]1CN(c2cncc(C[NH2+]C3CC3)n2)C[C@H](C)S1 ZINC000091421881 135069972 /nfs/dbraw/zinc/06/99/72/135069972.db2.gz KPWGDHUNZTYJKW-PHIMTYICSA-N 1 0 278.425 2.059 10 0 CEAERO C[C@@H]1CCc2ccccc2N1C(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092201147 135075851 /nfs/dbraw/zinc/07/58/51/135075851.db2.gz JHJULLYDCQBMBH-KWCYVHTRSA-N 1 0 256.349 2.258 10 0 CEAERO Cc1ccc2c(c1)CCCN2C(=O)[C@@H]1C=C[C@H]([NH3+])C1 ZINC000092201681 135075929 /nfs/dbraw/zinc/07/59/29/135075929.db2.gz FWVYPBHJQVFNQR-KGLIPLIRSA-N 1 0 256.349 2.178 10 0 CEAERO C[C@H]1[C@@H](C)N(c2ccc(N3CCOCC3)cc2)CC[C@@H]1[NH3+] ZINC000093035281 135078355 /nfs/dbraw/zinc/07/83/55/135078355.db2.gz JMKZANUHZCNXDA-VBQJREDUSA-N 1 0 289.423 2.085 10 0 CEAERO C[NH2+]C[C@H](C)[C@H](C)N1CCN(c2cccc(OC)c2)CC1 ZINC000093068622 135078869 /nfs/dbraw/zinc/07/88/69/135078869.db2.gz JNAOWJRRXDHMAB-GJZGRUSLSA-N 1 0 291.439 2.061 10 0 CEAERO C[C@H](C[NH3+])[C@@H](C)N1CCN(c2ccccc2Cl)CC1 ZINC000093068717 135079071 /nfs/dbraw/zinc/07/90/71/135079071.db2.gz UKHXLAYPUYQFCU-CHWSQXEVSA-N 1 0 281.831 2.445 10 0 CEAERO Nc1ccc(N2CCC(C(F)(F)F)CC2)[nH+]c1N ZINC000094260604 135084502 /nfs/dbraw/zinc/08/45/02/135084502.db2.gz OHDWRIYUDAVEHZ-UHFFFAOYSA-N 1 0 260.263 2.025 10 0 CEAERO CC[C@@](C)([NH3+])C(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000094232839 135084566 /nfs/dbraw/zinc/08/45/66/135084566.db2.gz IZLIMDVEMPQUMN-OAHLLOKOSA-N 1 0 276.384 2.138 10 0 CEAERO CC1(C)CCC[C@@H]1NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246477995 394516900 /nfs/dbraw/zinc/51/69/00/394516900.db2.gz HJWPOUDKFRXCAN-STQMWFEESA-N 1 0 265.401 2.055 10 0 CEAERO COC(=O)[C@@H](C)C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000020550770 394471923 /nfs/dbraw/zinc/47/19/23/394471923.db2.gz FBPCHYNRYWDGQP-OWWVKFPZSA-N 1 0 251.370 2.354 10 0 CEAERO CC(C)[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000232690724 394481428 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OWFBZBVWPKFIBR-TZMCWYRMSA-N 1 0 278.396 2.213 10 0 CEAERO CCC[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)[C@H]1CC1(C)C ZINC000397651173 395224299 /nfs/dbraw/zinc/22/42/99/395224299.db2.gz AUMIKCCHDVDMKX-LPWJVIDDSA-N 1 0 252.402 2.458 10 0 CEAERO CCCCOC[C@@H](O)C[N@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000195184489 395461409 /nfs/dbraw/zinc/46/14/09/395461409.db2.gz GIGKCJSYFYVQRI-YOEHRIQHSA-N 1 0 295.423 2.433 10 0 CEAERO CCCCOC[C@H](O)C[N@@H+]1CCS[C@H](C(C)C)C1 ZINC000195180136 395461655 /nfs/dbraw/zinc/46/16/55/395461655.db2.gz HYGWHVMLUOUMSP-KGLIPLIRSA-N 1 0 275.458 2.237 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)COc2c(C)cccc2C)C1 ZINC000194626248 395444541 /nfs/dbraw/zinc/44/45/41/395444541.db2.gz DJOITGJDAUEKIM-OAHLLOKOSA-N 1 0 290.407 2.283 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)CSc2ccccc2)C1 ZINC000194625602 395444552 /nfs/dbraw/zinc/44/45/52/395444552.db2.gz CSYXXSWJQIXCFP-CYBMUJFWSA-N 1 0 278.421 2.379 10 0 CEAERO CCN(CCC(F)(F)F)C(=O)C1CCC([NH3+])CC1 ZINC000648049426 395820181 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CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)COC(C)(C)C)C1(C)C ZINC000247315338 286246963 /nfs/dbraw/zinc/24/69/63/286246963.db2.gz WLNGWZGOBZMGMX-MGPQQGTHSA-N 1 0 287.444 2.298 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000261591576 297800621 /nfs/dbraw/zinc/80/06/21/297800621.db2.gz MBSZAANACIYYCK-LMLFDSFASA-N 1 0 278.318 2.303 10 0 CEAERO COc1ccc(CN2CC[C@H](C)C[C@H]2C[NH3+])c(OC)c1 ZINC000261634331 286308238 /nfs/dbraw/zinc/30/82/38/286308238.db2.gz FWOKDZAKSHTJQS-JSGCOSHPSA-N 1 0 278.396 2.263 10 0 CEAERO COc1ccc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)cc1O ZINC000188409342 153053333 /nfs/dbraw/zinc/05/33/33/153053333.db2.gz HQFWJAZQBSMOKL-AWEZNQCLSA-N 1 0 287.363 2.262 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCCC[C@H](C)C2)C1 ZINC000188480252 153058315 /nfs/dbraw/zinc/05/83/15/153058315.db2.gz HFQANORNPAHPJP-UONOGXRCSA-N 1 0 267.417 2.302 10 0 CEAERO C[C@@H]1OCCC[C@@H]1C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000189903756 153109646 /nfs/dbraw/zinc/10/96/46/153109646.db2.gz FBJMIQLGBVLDHB-HOCLYGCPSA-N 1 0 296.455 2.382 10 0 CEAERO CC(=O)CC(C)(C)CC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000191903269 153197047 /nfs/dbraw/zinc/19/70/47/153197047.db2.gz XFONAXFESBYFQS-JSGCOSHPSA-N 1 0 282.428 2.227 10 0 CEAERO C[C@@H]1C[C@H]([NH2+]Cc2nc(N(C)C)no2)CC(C)(C)C1 ZINC000191899455 153198085 /nfs/dbraw/zinc/19/80/85/153198085.db2.gz OGDNRQHNLPTWJC-MNOVXSKESA-N 1 0 266.389 2.440 10 0 CEAERO CC(=O)CCCC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000192929871 153223453 /nfs/dbraw/zinc/22/34/53/153223453.db2.gz IZSVVKUUXUZFBN-HNNXBMFYSA-N 1 0 276.380 2.165 10 0 CEAERO COc1ncccc1C[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000193371571 153232295 /nfs/dbraw/zinc/23/22/95/153232295.db2.gz BTJYTAFHTKYNIP-HNNXBMFYSA-N 1 0 286.379 2.260 10 0 CEAERO O=C(c1ccc2ccccc2c1O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195318657 153280986 /nfs/dbraw/zinc/28/09/86/153280986.db2.gz XXGQQESPODLCPO-CQSZACIVSA-N 1 0 296.370 2.466 10 0 CEAERO CSc1ccccc1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195310892 153282954 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ZINC000195402810 153288596 /nfs/dbraw/zinc/28/85/96/153288596.db2.gz NKANZOLVYWTESN-KGLIPLIRSA-N 1 0 298.452 2.417 10 0 CEAERO Cc1c(Cl)cccc1C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000219882417 153306324 /nfs/dbraw/zinc/30/63/24/153306324.db2.gz LLWVIDZJKOPOBT-QPUJVOFHSA-N 1 0 252.745 2.068 10 0 CEAERO CCOc1ccc(OCC[N@@H+]2CC[C@H](CCO)C2)cc1 ZINC000227568412 153346622 /nfs/dbraw/zinc/34/66/22/153346622.db2.gz NTXXTGXWPNVUHH-CQSZACIVSA-N 1 0 279.380 2.168 10 0 CEAERO OCC[C@H]1CC[N@H+](Cc2ccn(-c3ccccc3)n2)C1 ZINC000227570699 153347077 /nfs/dbraw/zinc/34/70/77/153347077.db2.gz MBWQSZMCDPMFCE-CQSZACIVSA-N 1 0 271.364 2.077 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)N2CCOCC2)C12CCCC2 ZINC000181438165 286387989 /nfs/dbraw/zinc/38/79/89/286387989.db2.gz OLFOZPWNSJWZAA-OWCLPIDISA-N 1 0 296.455 2.035 10 0 CEAERO CC1(C)CN(C(=O)Nc2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000261569003 153763864 /nfs/dbraw/zinc/76/38/64/153763864.db2.gz LOVFNYIFPSXTPY-GFCCVEGCSA-N 1 0 265.332 2.417 10 0 CEAERO CCCCS[C@@H](C)C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261649226 153798017 /nfs/dbraw/zinc/79/80/17/153798017.db2.gz AHFNKAQLTKKFHL-RYUDHWBXSA-N 1 0 272.458 2.494 10 0 CEAERO CC1(C)CN(C(=O)COc2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000261641848 153798759 /nfs/dbraw/zinc/79/87/59/153798759.db2.gz CHTPKVVZXBCJEY-CYBMUJFWSA-N 1 0 296.798 2.305 10 0 CEAERO CC[C@@H](C)c1cc(-c2nc(C[C@H](C)[NH2+]C)no2)on1 ZINC000261708387 153815148 /nfs/dbraw/zinc/81/51/48/153815148.db2.gz IRLUKMXDONTCOX-BDAKNGLRSA-N 1 0 264.329 2.389 10 0 CEAERO COCC1(CNc2cnc3ccccc3n2)CC[NH2+]CC1 ZINC000261750264 153831593 /nfs/dbraw/zinc/83/15/93/153831593.db2.gz SYOZDBKYAAKNJC-UHFFFAOYSA-N 1 0 286.379 2.058 10 0 CEAERO FC(F)(F)c1ncc(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)s1 ZINC000261772357 153837008 /nfs/dbraw/zinc/83/70/08/153837008.db2.gz DVWBGLITTGINBN-DTORHVGOSA-N 1 0 291.342 2.488 10 0 CEAERO CC(C)N(Cc1cccnc1)C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261785256 153838755 /nfs/dbraw/zinc/83/87/55/153838755.db2.gz PXJNGDVCZWXKQT-HNNXBMFYSA-N 1 0 275.396 2.351 10 0 CEAERO CCOCc1cccc(NC(=O)[C@@H](C)C2C[NH2+]C2)c1 ZINC000262574738 153962224 /nfs/dbraw/zinc/96/22/24/153962224.db2.gz SUHFCRQUHSUWCJ-NSHDSACASA-N 1 0 262.353 2.017 10 0 CEAERO O=C(NCC[C@H]1CCC[NH2+]C1)C(F)(F)c1ccccc1 ZINC000262604142 153966729 /nfs/dbraw/zinc/96/67/29/153966729.db2.gz RYFRGDCTCCQXNW-GFCCVEGCSA-N 1 0 282.334 2.284 10 0 CEAERO Cc1c2ccccc2oc1-c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263208273 154034957 /nfs/dbraw/zinc/03/49/57/154034957.db2.gz JYOYVGWOLSQOHP-LBPRGKRZSA-N 1 0 298.346 2.367 10 0 CEAERO Cc1cccc([C@H](C)c2nc([C@@H]3C[NH2+]CCN3C)no2)c1 ZINC000263223652 154037683 /nfs/dbraw/zinc/03/76/83/154037683.db2.gz MKRWEMJEDGURKA-JSGCOSHPSA-N 1 0 286.379 2.106 10 0 CEAERO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000263270675 154046267 /nfs/dbraw/zinc/04/62/67/154046267.db2.gz SDIRKMFUBRNCEC-NYTXWWLZSA-N 1 0 282.428 2.071 10 0 CEAERO CC[C@@H](C(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C)[NH+](C)C ZINC000164321789 286731005 /nfs/dbraw/zinc/73/10/05/286731005.db2.gz UJDPVQPASGQBHM-UONOGXRCSA-N 1 0 292.427 2.041 10 0 CEAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)C1CCCCCC1 ZINC000150141559 162300823 /nfs/dbraw/zinc/30/08/23/162300823.db2.gz DYXKQUZKZNSCIH-ZFWWWQNUSA-N 1 0 254.418 2.266 10 0 CEAERO CCC([NH3+])(CC)CNc1ncc(Br)cn1 ZINC000168516118 162366588 /nfs/dbraw/zinc/36/65/88/162366588.db2.gz REKAXDACXLVUEW-UHFFFAOYSA-N 1 0 273.178 2.169 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc(F)c(F)c2)C1 ZINC000171069540 162376673 /nfs/dbraw/zinc/37/66/73/162376673.db2.gz OSEHCLZVRWXXBX-SNVBAGLBSA-N 1 0 269.295 2.133 10 0 CEAERO CC(C)OCCCNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000171674303 162388073 /nfs/dbraw/zinc/38/80/73/162388073.db2.gz NEKIKVALWYPSQV-MRXNPFEDSA-N 1 0 292.423 2.091 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1cncc(Br)c1 ZINC000261534605 162541315 /nfs/dbraw/zinc/54/13/15/162541315.db2.gz MSOPKDUBJMXJMZ-KWQFWETISA-N 1 0 270.174 2.397 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCC1CCCC1 ZINC000172247360 165055111 /nfs/dbraw/zinc/05/51/11/165055111.db2.gz DKAHCFYUMSEODQ-DZGCQCFKSA-N 1 0 279.428 2.445 10 0 CEAERO CCn1cc(C2CC[NH+]([C@@H](C)COC)CC2)cn1 ZINC000173604904 165078925 /nfs/dbraw/zinc/07/89/25/165078925.db2.gz NQJVIMNZGDXPJR-LBPRGKRZSA-N 1 0 251.374 2.117 10 0 CEAERO CC[C@@H](O)C[N@@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000173757829 165081336 /nfs/dbraw/zinc/08/13/36/165081336.db2.gz HTPBKYGAEGXJAG-VXGBXAGGSA-N 1 0 254.399 2.402 10 0 CEAERO CCC(CC)CS(=O)(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000173886244 165086068 /nfs/dbraw/zinc/08/60/68/165086068.db2.gz FOBBNUTYODHIOW-JSGCOSHPSA-N 1 0 290.473 2.071 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1noc(C(C)(C)C)n1 ZINC000175050564 165121713 /nfs/dbraw/zinc/12/17/13/165121713.db2.gz RQSKLGUEIRKJMN-QWHCGFSZSA-N 1 0 292.427 2.426 10 0 CEAERO CCO[C@@H]1C[C@@H]([N@H+](C)CCOCCOC)C12CCCC2 ZINC000175711312 165144290 /nfs/dbraw/zinc/14/42/90/165144290.db2.gz AZQXEMWERNGQLY-HUUCEWRRSA-N 1 0 285.428 2.319 10 0 CEAERO C[C@H]1C[C@H]1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176022302 165151681 /nfs/dbraw/zinc/15/16/81/165151681.db2.gz LYWQNYHWLJOOAW-SMDDNHRTSA-N 1 0 265.401 2.101 10 0 CEAERO O=C(c1cccc2c1CCCN2)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000176825790 165176623 /nfs/dbraw/zinc/17/66/23/165176623.db2.gz VUTVRQNDFGCUBY-AWEZNQCLSA-N 1 0 299.418 2.355 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)COc1cccc(C)c1 ZINC000176974876 165180864 /nfs/dbraw/zinc/18/08/64/165180864.db2.gz HFMZGQJJSLVBFB-OAHLLOKOSA-N 1 0 290.407 2.317 10 0 CEAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1cncn1C ZINC000177058296 165185212 /nfs/dbraw/zinc/18/52/12/165185212.db2.gz VQZGPITXAAIHSO-CQSZACIVSA-N 1 0 273.384 2.108 10 0 CEAERO CCCC1(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000177607715 165203067 /nfs/dbraw/zinc/20/30/67/165203067.db2.gz YRZFDEXXHPIGRE-CYBMUJFWSA-N 1 0 265.401 2.056 10 0 CEAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCOC(C)(C)C ZINC000178289886 165231184 /nfs/dbraw/zinc/23/11/84/165231184.db2.gz ORXROUCVEXXWKR-AWEZNQCLSA-N 1 0 265.401 2.471 10 0 CEAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1ccncc1 ZINC000178331283 165233291 /nfs/dbraw/zinc/23/32/91/165233291.db2.gz QZOYVLUDVVPCLW-HNNXBMFYSA-N 1 0 256.353 2.251 10 0 CEAERO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)CCCOC ZINC000178416930 165240726 /nfs/dbraw/zinc/24/07/26/165240726.db2.gz CUIDUPTVOTYFNX-RYUDHWBXSA-N 1 0 266.389 2.080 10 0 CEAERO CC[C@H](C)Oc1ccc(C(=O)NCC[C@@H](C)[NH3+])cc1 ZINC000178679750 165253483 /nfs/dbraw/zinc/25/34/83/165253483.db2.gz NQHRLVFRRLYZDM-NEPJUHHUSA-N 1 0 264.369 2.331 10 0 CEAERO CCN1CCN(C(=O)C[C@@H]2CCC[NH2+]2)c2ccccc21 ZINC000178788650 165260937 /nfs/dbraw/zinc/26/09/37/165260937.db2.gz JHAZXSDIOPDPSX-ZDUSSCGKSA-N 1 0 273.380 2.002 10 0 CEAERO C[C@H](NC(=O)C[C@H]1CCC[NH2+]1)c1cccc(-n2ccnc2)c1 ZINC000178862812 165262828 /nfs/dbraw/zinc/26/28/28/165262828.db2.gz HDCNHIJEYGNDNG-DZGCQCFKSA-N 1 0 298.390 2.192 10 0 CEAERO CC[C@@H]1C[C@H](C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)CCO1 ZINC000180428477 165310917 /nfs/dbraw/zinc/31/09/17/165310917.db2.gz VFHSZNLMXIVFRP-GBJTYRQASA-N 1 0 282.428 2.037 10 0 CEAERO CCC[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(OC)cc1 ZINC000180493570 165313399 /nfs/dbraw/zinc/31/33/99/165313399.db2.gz HSWHNWIHURVNFZ-DLBZAZTESA-N 1 0 292.423 2.457 10 0 CEAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(C)o1)CC2 ZINC000180611480 165317298 /nfs/dbraw/zinc/31/72/98/165317298.db2.gz FFPSXZNKAJJDOV-NEPJUHHUSA-N 1 0 274.368 2.408 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCCCOC(C)C ZINC000181922456 165360414 /nfs/dbraw/zinc/36/04/14/165360414.db2.gz JLIHQNKOVFMUFE-HNNXBMFYSA-N 1 0 299.459 2.317 10 0 CEAERO OC1CC[NH+](C2(c3ccccc3)CCC(O)CC2)CC1 ZINC000006095970 170176248 /nfs/dbraw/zinc/17/62/48/170176248.db2.gz YGCULZOYLHBIQI-UHFFFAOYSA-N 1 0 275.392 2.274 10 0 CEAERO [NH3+]C[C@@H](c1ccccc1F)S(=O)(=O)c1cccs1 ZINC000008031216 170315354 /nfs/dbraw/zinc/31/53/54/170315354.db2.gz ZIWWHYIECWAGDN-NSHDSACASA-N 1 0 285.365 2.361 10 0 CEAERO CC(C)(C)OC(=O)N[C@H](C[NH3+])c1ccccc1F ZINC000019421621 170792548 /nfs/dbraw/zinc/79/25/48/170792548.db2.gz MNJFCFOLAVKZLU-LLVKDONJSA-N 1 0 254.305 2.350 10 0 CEAERO NC(=[NH2+])c1ccc(COCC(F)(F)F)c(F)c1 ZINC000019508150 170819055 /nfs/dbraw/zinc/81/90/55/170819055.db2.gz JEVAKQBGKNZSSM-UHFFFAOYSA-N 1 0 250.195 2.189 10 0 CEAERO CN(CCc1ccccn1)c1ccccc1C(N)=[NH2+] ZINC000020076168 170984730 /nfs/dbraw/zinc/98/47/30/170984730.db2.gz GQBKSTQALMJSHE-UHFFFAOYSA-N 1 0 254.337 2.045 10 0 CEAERO COc1cccc([C@H](C[NH3+])N(C)CC2CC2)c1OC ZINC000020226681 171091189 /nfs/dbraw/zinc/09/11/89/171091189.db2.gz DQCZCVDHZJKPRD-ZDUSSCGKSA-N 1 0 264.369 2.045 10 0 CEAERO C[C@@H]1C[C@H]1c1ccc([C@@H](C[NH3+])N2CCSCC2)o1 ZINC000020257186 171111512 /nfs/dbraw/zinc/11/15/12/171111512.db2.gz OBUUDSORQRPDEU-IJLUTSLNSA-N 1 0 266.410 2.452 10 0 CEAERO CN(C)C[C@@H]([NH2+]Cc1cccn1C)c1ccccc1 ZINC000020360557 171158730 /nfs/dbraw/zinc/15/87/30/171158730.db2.gz BJUVRTQFGXYBTP-MRXNPFEDSA-N 1 0 257.381 2.418 10 0 CEAERO CCN(CC)C(=O)[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC000020364501 171162835 /nfs/dbraw/zinc/16/28/35/171162835.db2.gz RYQWRZVWUYRFCI-NSHDSACASA-N 1 0 252.333 2.172 10 0 CEAERO [NH3+]CC[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000020399902 171181907 /nfs/dbraw/zinc/18/19/07/171181907.db2.gz QSNXDWBUNXDGJJ-HNNXBMFYSA-N 1 0 257.333 2.442 10 0 CEAERO Cc1ccc(F)c(NC(=O)[C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000020471998 171214714 /nfs/dbraw/zinc/21/47/14/171214714.db2.gz AKGKZUPIJCLMKU-MNOVXSKESA-N 1 0 250.317 2.461 10 0 CEAERO O=C(Nc1cccc(Cl)c1F)[C@H]1CCC[NH2+]C1 ZINC000020472625 171215765 /nfs/dbraw/zinc/21/57/65/171215765.db2.gz FZZUHSVFHUPKES-QMMMGPOBSA-N 1 0 256.708 2.417 10 0 CEAERO O=C(C[NH2+]Cc1ccncc1)Nc1cccc(Cl)c1 ZINC000020551899 171247368 /nfs/dbraw/zinc/24/73/68/171247368.db2.gz JZWCQRXWABQXBI-UHFFFAOYSA-N 1 0 275.739 2.463 10 0 CEAERO CCC1N=NC(=S)N1CCC[N@@H+]1CCCC[C@H]1C ZINC000020589304 171260228 /nfs/dbraw/zinc/26/02/28/171260228.db2.gz ALUFWDFKFZKRSR-LLVKDONJSA-N 1 0 268.430 2.394 10 0 CEAERO O=C(C[C@H]1CCCC[NH2+]1)Nc1c(F)cccc1F ZINC000020597558 171266254 /nfs/dbraw/zinc/26/62/54/171266254.db2.gz BFCNQSMXGKNKFZ-SECBINFHSA-N 1 0 254.280 2.436 10 0 CEAERO CCCCC[NH2+]Cc1cc(Cl)ccc1OCC(N)=O ZINC000020873338 171277103 /nfs/dbraw/zinc/27/71/03/171277103.db2.gz JPEZPACSPRNXLQ-UHFFFAOYSA-N 1 0 284.787 2.484 10 0 CEAERO Cc1cc(F)ccc1C[N@H+]1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000284737957 196121402 /nfs/dbraw/zinc/12/14/02/196121402.db2.gz KTPWPEQSYMHQNB-JKSUJKDBSA-N 1 0 278.371 2.039 10 0 CEAERO [NH3+]Cc1ccccc1NS(=O)(=O)Cc1ccccc1 ZINC000021955829 171341624 /nfs/dbraw/zinc/34/16/24/171341624.db2.gz HKEDCYOTJKRWPP-UHFFFAOYSA-N 1 0 276.361 2.087 10 0 CEAERO C[C@H](C(=O)Nc1cc(Cl)ccc1N)[NH+]1CCCC1 ZINC000022154364 171361019 /nfs/dbraw/zinc/36/10/19/171361019.db2.gz SEWSEDYYYVVEQO-SECBINFHSA-N 1 0 267.760 2.345 10 0 CEAERO CC[NH+](CC)[C@@H](C)C(=O)Nc1ccc(F)c(N)c1 ZINC000022156409 171362789 /nfs/dbraw/zinc/36/27/89/171362789.db2.gz LCPILZOBRBXUSC-VIFPVBQESA-N 1 0 253.321 2.077 10 0 CEAERO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2ccc(F)c(N)c2)C1 ZINC000022163190 171364657 /nfs/dbraw/zinc/36/46/57/171364657.db2.gz HGRHURDTERNNDJ-GHMZBOCLSA-N 1 0 279.359 2.324 10 0 CEAERO CC[NH+](CC)CCCNC(=O)c1c(C)cccc1N ZINC000022163800 171365354 /nfs/dbraw/zinc/36/53/54/171365354.db2.gz USLIXISPLLYMNQ-UHFFFAOYSA-N 1 0 263.385 2.039 10 0 CEAERO COc1ccc(N)cc1NC(=O)CCC[NH+]1CCCC1 ZINC000022165711 171365953 /nfs/dbraw/zinc/36/59/53/171365953.db2.gz SARUZEIALYIOHY-UHFFFAOYSA-N 1 0 277.368 2.092 10 0 CEAERO COc1ccc(NC(=O)C[NH+]2[C@@H](C)CCC[C@@H]2C)c(N)c1 ZINC000022171262 171368105 /nfs/dbraw/zinc/36/81/05/171368105.db2.gz SEILEWMRUXDACY-RYUDHWBXSA-N 1 0 291.395 2.479 10 0 CEAERO C[C@H]1CN([C@@H](C[NH3+])c2ccc(Br)cc2)CCO1 ZINC000022171426 171368304 /nfs/dbraw/zinc/36/83/04/171368304.db2.gz WMUGGOYLIBHWQQ-GWCFXTLKSA-N 1 0 299.212 2.170 10 0 CEAERO Cc1ccsc1[C@H](C[NH3+])N1C[C@@H](C)O[C@H](C)C1 ZINC000022175134 171369774 /nfs/dbraw/zinc/36/97/74/171369774.db2.gz MDPAFPAXNWVLIR-UTUOFQBUSA-N 1 0 254.399 2.166 10 0 CEAERO [NH3+]Cc1ccccc1NC(=O)CN1CCc2ccccc21 ZINC000022210306 171373131 /nfs/dbraw/zinc/37/31/31/171373131.db2.gz FQIHWZBGNIIVLW-UHFFFAOYSA-N 1 0 281.359 2.147 10 0 CEAERO Cc1ccc(NS(=O)(=O)c2cccc(C[NH3+])c2)cc1 ZINC000022212114 171374011 /nfs/dbraw/zinc/37/40/11/171374011.db2.gz RJHMRWDCIAYVLA-UHFFFAOYSA-N 1 0 276.361 2.255 10 0 CEAERO COc1cc([C@@H](C)[NH3+])ccc1OC[C@@H]1CCCO1 ZINC000022217718 171376399 /nfs/dbraw/zinc/37/63/99/171376399.db2.gz HJUMHRCBDLOROP-PWSUYJOCSA-N 1 0 251.326 2.273 10 0 CEAERO [NH3+]Cc1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000022219982 171377402 /nfs/dbraw/zinc/37/74/02/171377402.db2.gz JFVQPBXCTMMRMJ-UHFFFAOYSA-N 1 0 280.324 2.085 10 0 CEAERO COc1ccc([C@H]([NH3+])[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000022564511 171391622 /nfs/dbraw/zinc/39/16/22/171391622.db2.gz HWILGWVBEFOAFD-OQMKEHIESA-N 1 0 278.396 2.193 10 0 CEAERO [NH3+][C@@H](Cn1cccnc1=O)c1ccc2ccccc2c1 ZINC000022564680 171391658 /nfs/dbraw/zinc/39/16/58/171391658.db2.gz FCSURFUDAYMSRC-HNNXBMFYSA-N 1 0 265.316 2.097 10 0 CEAERO COc1ccc([C@@H](O)C[NH2+]C(C)(C)C)cc1OC ZINC000032107942 171699531 /nfs/dbraw/zinc/69/95/31/171699531.db2.gz XORCKFYSYJIZNV-NSHDSACASA-N 1 0 253.342 2.125 10 0 CEAERO CN(CCC(N)=[NH2+])Cc1ccc(Br)cc1F ZINC000035285004 172103443 /nfs/dbraw/zinc/10/34/43/172103443.db2.gz LECQYQRANOVDSO-UHFFFAOYSA-N 1 0 288.164 2.346 10 0 CEAERO C[C@@H]([NH3+])c1ccc2ccccc2c1O[C@H](C)C(N)=O ZINC000035427259 172194826 /nfs/dbraw/zinc/19/48/26/172194826.db2.gz PQENBEDAGNGBHA-NXEZZACHSA-N 1 0 258.321 2.112 10 0 CEAERO CCCN(C)c1nc2sccn2c1C[NH2+]C1CC1 ZINC000035430166 172199243 /nfs/dbraw/zinc/19/92/43/172199243.db2.gz KUJXJMBWJXCAFG-UHFFFAOYSA-N 1 0 264.398 2.494 10 0 CEAERO C[NH2+][C@@H](c1ccc(OC)cc1OC)[C@H]1CCCO1 ZINC000035489009 172224160 /nfs/dbraw/zinc/22/41/60/172224160.db2.gz NSHIZNZEGLYOGS-OCCSQVGLSA-N 1 0 251.326 2.143 10 0 CEAERO CC[NH2+]Cc1nccn1Cc1ccc(F)c(F)c1 ZINC000035518080 172243230 /nfs/dbraw/zinc/24/32/30/172243230.db2.gz XJHDTQADNOBMDT-UHFFFAOYSA-N 1 0 251.280 2.319 10 0 CEAERO C[NH2+][C@H](C)c1ccc(S(=O)(=O)N[C@@H](C)C(C)C)cc1 ZINC000035633675 172317111 /nfs/dbraw/zinc/31/71/11/172317111.db2.gz RZZKEBWJQVSPSN-NWDGAFQWSA-N 1 0 284.425 2.290 10 0 CEAERO CCCCN(CC)S(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000035679254 172349819 /nfs/dbraw/zinc/34/98/19/172349819.db2.gz ZLLFVZURZGMREN-UHFFFAOYSA-N 1 0 290.454 2.060 10 0 CEAERO CC(C)c1ccc2c(c1)[C@@H]([NH3+])[C@H](C)CS2(=O)=O ZINC000035755747 172396426 /nfs/dbraw/zinc/39/64/26/172396426.db2.gz UEOUHOVNFXMWJR-RNCFNFMXSA-N 1 0 253.367 2.233 10 0 CEAERO CCOc1ccc([C@@H](CNC(=O)OC)[NH+](C)C)cc1 ZINC000036090748 172436453 /nfs/dbraw/zinc/43/64/53/172436453.db2.gz PTMHKIPVLWBESB-CYBMUJFWSA-N 1 0 266.341 2.044 10 0 CEAERO CCc1ccc([C@@H]([NH3+])CN2CCOC[C@@H]2CC)cc1 ZINC000036326093 172609828 /nfs/dbraw/zinc/60/98/28/172609828.db2.gz CNMMSHQQVPTPQH-HOTGVXAUSA-N 1 0 262.397 2.360 10 0 CEAERO O[C@]1(c2cn[nH]n2)CC[N@H+](Cc2cccc3ccccc32)C1 ZINC000285485987 196300680 /nfs/dbraw/zinc/30/06/80/196300680.db2.gz LYXYUVIBCYRYJJ-QGZVFWFLSA-N 1 0 294.358 2.051 10 0 CEAERO Cc1ncsc1CCOc1ccc(C(N)=[NH2+])cc1F ZINC000036888039 172783154 /nfs/dbraw/zinc/78/31/54/172783154.db2.gz JQMNSYTVNHXFRZ-UHFFFAOYSA-N 1 0 279.340 2.496 10 0 CEAERO CC[NH2+]C[C@H](O)COc1ccccc1C(F)(F)F ZINC000036950972 172824786 /nfs/dbraw/zinc/82/47/86/172824786.db2.gz ZAAWCYMUHVLIPJ-VIFPVBQESA-N 1 0 263.259 2.055 10 0 CEAERO CC(C)[NH2+]C[C@@H](O)CSc1nc2ccccc2[nH]1 ZINC000036951367 172824947 /nfs/dbraw/zinc/82/49/47/172824947.db2.gz MLANZQLINZHDMK-SNVBAGLBSA-N 1 0 265.382 2.014 10 0 CEAERO CC[NH+](CC)CCCOc1cccc(C(N)=S)c1 ZINC000037143842 172982299 /nfs/dbraw/zinc/98/22/99/172982299.db2.gz FBASDRVACQQJBX-UHFFFAOYSA-N 1 0 266.410 2.432 10 0 CEAERO Cc1n[nH]c(C)c1C[NH2+][C@@H](CC(C)C)CN(C)C ZINC000037167259 173001582 /nfs/dbraw/zinc/00/15/82/173001582.db2.gz BDCCICRTVXWDML-ZDUSSCGKSA-N 1 0 252.406 2.092 10 0 CEAERO [NH3+]CC[C@@H](Oc1ccc2c(c1)OCO2)C(F)(F)F ZINC000037179395 173012953 /nfs/dbraw/zinc/01/29/53/173012953.db2.gz LQDUZEWPRXEYJE-SNVBAGLBSA-N 1 0 263.215 2.074 10 0 CEAERO C=COCCC[NH2+]Cc1c(C)nc2sccn21 ZINC000037239140 173055941 /nfs/dbraw/zinc/05/59/41/173055941.db2.gz ZSWBQTKIHVPLQC-UHFFFAOYSA-N 1 0 251.355 2.344 10 0 CEAERO CCC[NH2+][C@H]1CCN(CCc2ccc(OC)cc2)C1 ZINC000037240627 173057111 /nfs/dbraw/zinc/05/71/11/173057111.db2.gz OLBPLUDHIVJQRX-HNNXBMFYSA-N 1 0 262.397 2.312 10 0 CEAERO Cc1nc2sccn2c1C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000037242345 173058941 /nfs/dbraw/zinc/05/89/41/173058941.db2.gz SMHVBCFZXHLEAV-CMPLNLGQSA-N 1 0 265.382 2.361 10 0 CEAERO CC(C)[C@H](C)[NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000037249522 173062072 /nfs/dbraw/zinc/06/20/72/173062072.db2.gz XBMHDJUEJUNGPI-QWRGUYRKSA-N 1 0 270.398 2.029 10 0 CEAERO COC(=O)CC[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000037252080 173063681 /nfs/dbraw/zinc/06/36/81/173063681.db2.gz BXNAPXHSUXMZGA-UHFFFAOYSA-N 1 0 279.308 2.388 10 0 CEAERO COC(=O)CC[NH2+][C@@H](C)c1ccc(C)cc1OC ZINC000037252214 173064205 /nfs/dbraw/zinc/06/42/05/173064205.db2.gz VOMFFJZUZGBROQ-NSHDSACASA-N 1 0 251.326 2.217 10 0 CEAERO CNC(=O)C[NH2+][C@H](C)c1sc(C(C)(C)C)nc1C ZINC000037254172 173065160 /nfs/dbraw/zinc/06/51/60/173065160.db2.gz LLEKVNGXPHWKFI-MRVPVSSYSA-N 1 0 269.414 2.146 10 0 CEAERO COc1ccc(N(CCC[NH3+])C(=O)[C@H]2C[C@@H]2C)cc1 ZINC000037298099 173101702 /nfs/dbraw/zinc/10/17/02/173101702.db2.gz RKAIXUORISVFPU-FZMZJTMJSA-N 1 0 262.353 2.033 10 0 CEAERO CCOc1cc2c(cc1C[NH2+]CCC(=O)OC)O[C@H](C)C2 ZINC000037301302 173106994 /nfs/dbraw/zinc/10/69/94/173106994.db2.gz JNQMGUVFHHEQIQ-LLVKDONJSA-N 1 0 293.363 2.061 10 0 CEAERO CC(C)(C)c1nc(C2([NH3+])Cc3ccccc3C2)no1 ZINC000037374877 173164101 /nfs/dbraw/zinc/16/41/01/173164101.db2.gz SVNWXBXZVLJCMK-UHFFFAOYSA-N 1 0 257.337 2.320 10 0 CEAERO c1nn(-c2ccccc2)cc1COC1CC[NH2+]CC1 ZINC000037390721 173173701 /nfs/dbraw/zinc/17/37/01/173173701.db2.gz RZWHKEZVNIQAOY-UHFFFAOYSA-N 1 0 257.337 2.141 10 0 CEAERO C[C@H](Cc1cccs1)[NH2+][C@@H]1CN2CCC1CC2 ZINC000037413574 173190198 /nfs/dbraw/zinc/19/01/98/173190198.db2.gz OAGFITLLABWBJI-BXUZGUMPSA-N 1 0 250.411 2.363 10 0 CEAERO CC(C)n1c2ccc(F)cc2nc1[C@H]([NH3+])[C@H](C)O ZINC000037439725 173209710 /nfs/dbraw/zinc/20/97/10/173209710.db2.gz MBFDIXYUBRSTNG-QPUJVOFHSA-N 1 0 251.305 2.137 10 0 CEAERO [NH3+][C@@H](CO)c1nc2cc(Br)ccc2n1C1CC1 ZINC000037441941 173211156 /nfs/dbraw/zinc/21/11/56/173211156.db2.gz LOJSWGSIHODHQJ-VIFPVBQESA-N 1 0 296.168 2.126 10 0 CEAERO [NH3+][C@H]1CCN(c2ccc(F)cc2Br)C1 ZINC000037483534 173228987 /nfs/dbraw/zinc/22/89/87/173228987.db2.gz VMMZFSXDJULWTD-QMMMGPOBSA-N 1 0 259.122 2.126 10 0 CEAERO CCC[NH2+][C@](C)(C(N)=O)c1ccccc1C(F)(F)F ZINC000037513855 173244813 /nfs/dbraw/zinc/24/48/13/173244813.db2.gz ONBAEVPMGZLLAL-LBPRGKRZSA-N 1 0 274.286 2.406 10 0 CEAERO CCC[NH2+][C@](CC)(C(N)=O)c1ccc(Cl)cc1 ZINC000037513787 173244850 /nfs/dbraw/zinc/24/48/50/173244850.db2.gz AEBXOAVJEPIDJA-ZDUSSCGKSA-N 1 0 254.761 2.430 10 0 CEAERO CCC[NH2+][C@@](CC)(C(N)=O)c1cccc(Cl)c1 ZINC000037513848 173245024 /nfs/dbraw/zinc/24/50/24/173245024.db2.gz AIGHKRZSUVTXSD-CYBMUJFWSA-N 1 0 254.761 2.430 10 0 CEAERO Nc1ccc(C[N@@H+]2CCC[C@@H](CO)C2)c(Br)c1 ZINC000037515998 173247330 /nfs/dbraw/zinc/24/73/30/173247330.db2.gz CBVZEJDLPDWRSX-SNVBAGLBSA-N 1 0 299.212 2.236 10 0 CEAERO CCN(CC)C(=O)CC[NH2+][C@H](C)CC(C)(C)OC ZINC000037752659 173677129 /nfs/dbraw/zinc/67/71/29/173677129.db2.gz HRXIWNDWRXEHSF-GFCCVEGCSA-N 1 0 258.406 2.038 10 0 CEAERO C[NH+](C)C1CCN([C@@H]2CNc3ccccc3C2)CC1 ZINC000037761147 173688210 /nfs/dbraw/zinc/68/82/10/173688210.db2.gz OMHVZGCIVNYWIM-HNNXBMFYSA-N 1 0 259.397 2.049 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)N(CC(C)C)CC(F)(F)F ZINC000037813310 173759822 /nfs/dbraw/zinc/75/98/22/173759822.db2.gz XADCHKSIGOHLJG-JTQLQIEISA-N 1 0 268.323 2.421 10 0 CEAERO C[C@@H](c1cccs1)N(C)C(=O)[C@H]1CCC[NH2+]C1 ZINC000037821238 173774172 /nfs/dbraw/zinc/77/41/72/173774172.db2.gz XJAMKLUJNAINHD-QWRGUYRKSA-N 1 0 252.383 2.267 10 0 CEAERO CCCCC[C@H](C)NC(=O)[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000038043222 174049647 /nfs/dbraw/zinc/04/96/47/174049647.db2.gz BQAGNTVHVKUTRV-HOCLYGCPSA-N 1 0 295.471 2.288 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)Nc1ccc(F)cc1F ZINC000038049788 174061042 /nfs/dbraw/zinc/06/10/42/174061042.db2.gz MYINLXDKODKCNA-CMPLNLGQSA-N 1 0 269.295 2.356 10 0 CEAERO Clc1cnn(-c2nc3sccn3c2C[NH2+]C2CC2)c1 ZINC000038053883 174065438 /nfs/dbraw/zinc/06/54/38/174065438.db2.gz DQKHTTGVQBGQAH-UHFFFAOYSA-N 1 0 293.783 2.487 10 0 CEAERO CC[C@H](C)[NH2+][C@](CC)(C(N)=O)c1ccc(F)cc1 ZINC000038065509 174075707 /nfs/dbraw/zinc/07/57/07/174075707.db2.gz DCBUZVZBPJKZBY-HZMBPMFUSA-N 1 0 252.333 2.304 10 0 CEAERO COc1ccccc1C1CC([NH2+]C[C@@H](C)N(C)C)C1 ZINC000038087788 174100791 /nfs/dbraw/zinc/10/07/91/174100791.db2.gz ARGOMFPTVAJTJF-IYXRBSQSSA-N 1 0 262.397 2.481 10 0 CEAERO C[NH+](C)C[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000039952271 174176796 /nfs/dbraw/zinc/17/67/96/174176796.db2.gz QSLUPJBQUKFJDH-AWEZNQCLSA-N 1 0 262.353 2.207 10 0 CEAERO C[NH+](C)CCCn1c(N)nnc1SCc1ccccc1 ZINC000040172950 174199536 /nfs/dbraw/zinc/19/95/36/174199536.db2.gz IVNHECHMWYPSMG-UHFFFAOYSA-N 1 0 291.424 2.104 10 0 CEAERO C[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1CCOC ZINC000040404823 174254258 /nfs/dbraw/zinc/25/42/58/174254258.db2.gz XYNVGAVLINIGBV-UHFFFAOYSA-N 1 0 287.285 2.421 10 0 CEAERO CSCC[C@H]([NH3+])C(=O)N(C)[C@@H](C)c1cccs1 ZINC000040468423 174276576 /nfs/dbraw/zinc/27/65/76/174276576.db2.gz CUPYCMWFXLGRHB-UWVGGRQHSA-N 1 0 272.439 2.348 10 0 CEAERO COc1cccc(OC[C@H](O)C[NH2+]CC(C)(C)C)c1 ZINC000040493234 174292988 /nfs/dbraw/zinc/29/29/88/174292988.db2.gz RTPKMNVTQKUCLO-GFCCVEGCSA-N 1 0 267.369 2.071 10 0 CEAERO COc1ccc(NC(=O)C[NH2+]CC(C)(C)C)cc1 ZINC000040493770 174293221 /nfs/dbraw/zinc/29/32/21/174293221.db2.gz RBUDAWVDRUUYLO-UHFFFAOYSA-N 1 0 250.342 2.269 10 0 CEAERO O[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1-n1cccn1 ZINC000040495629 174294479 /nfs/dbraw/zinc/29/44/79/174294479.db2.gz RXYOPYKMMMSBNO-HOCLYGCPSA-N 1 0 271.364 2.265 10 0 CEAERO Cc1ccc(OC[C@H](C)[NH2+][C@H]2CCCCNC2=O)cc1 ZINC000040499925 174296470 /nfs/dbraw/zinc/29/64/70/174296470.db2.gz ZVKVCOMOMDXVJW-ZFWWWQNUSA-N 1 0 276.380 2.021 10 0 CEAERO Cc1ccc(OC[C@@H](C)NC(=O)C2CCC([NH3+])CC2)cc1 ZINC000040500156 174296485 /nfs/dbraw/zinc/29/64/85/174296485.db2.gz SRXFZUIPAFYGPH-WLYUNCDWSA-N 1 0 290.407 2.396 10 0 CEAERO Cc1ccc(OC[C@H](C)[NH2+][C@@H]2CCCCNC2=O)cc1 ZINC000040499923 174296656 /nfs/dbraw/zinc/29/66/56/174296656.db2.gz ZVKVCOMOMDXVJW-DZGCQCFKSA-N 1 0 276.380 2.021 10 0 CEAERO CCOC(=O)CC[NH2+][C@H](C)COc1ccc(C)cc1 ZINC000040499867 174296663 /nfs/dbraw/zinc/29/66/63/174296663.db2.gz MKNQCMWANJVHGG-CYBMUJFWSA-N 1 0 265.353 2.305 10 0 CEAERO COC(=O)[C@H](C)C[NH2+][C@H](C)COc1ccc(C)cc1 ZINC000040499744 174296672 /nfs/dbraw/zinc/29/66/72/174296672.db2.gz BQKPEKILXFCEDV-CHWSQXEVSA-N 1 0 265.353 2.161 10 0 CEAERO Cc1cc(C)c(C(N)=S)c(NCCc2ccccn2)[nH+]1 ZINC000040510162 174303791 /nfs/dbraw/zinc/30/37/91/174303791.db2.gz AIBWXXYBLOUDCZ-UHFFFAOYSA-N 1 0 286.404 2.382 10 0 CEAERO COC(=O)CCC[NH2+][C@H](C)c1sc(C)nc1C ZINC000040518612 174308183 /nfs/dbraw/zinc/30/81/83/174308183.db2.gz ZYKQPJPUURTVQD-MRVPVSSYSA-N 1 0 256.371 2.364 10 0 CEAERO C[NH2+]C[C@H]1CCCN(C(=O)Nc2ccccc2OC)C1 ZINC000040596589 174349138 /nfs/dbraw/zinc/34/91/38/174349138.db2.gz CAXHUFCQAWVHEC-GFCCVEGCSA-N 1 0 277.368 2.159 10 0 CEAERO C[NH2+]C[C@H]1CCCN(Cc2cc(F)ccc2OC)C1 ZINC000040599975 174350245 /nfs/dbraw/zinc/35/02/45/174350245.db2.gz MGIVFYPCZGWWON-GFCCVEGCSA-N 1 0 266.360 2.266 10 0 CEAERO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc(N)c(F)cc2F)C1 ZINC000040620604 174354701 /nfs/dbraw/zinc/35/47/01/174354701.db2.gz NGBPTEHDNLMCSA-SNVBAGLBSA-N 1 0 297.349 2.007 10 0 CEAERO COc1ccc(-c2c[nH]c([C@H]3C[C@@H](OC)C[NH2+]3)n2)cc1F ZINC000040637806 174361853 /nfs/dbraw/zinc/36/18/53/174361853.db2.gz KNSXOPRMGXUHFE-ZYHUDNBSSA-N 1 0 291.326 2.274 10 0 CEAERO CCCNC(=O)[C@H](C)[NH2+]Cc1cccc(OC(C)C)c1 ZINC000040640372 174363639 /nfs/dbraw/zinc/36/36/39/174363639.db2.gz BWANRWOXGNLVOV-ZDUSSCGKSA-N 1 0 278.396 2.478 10 0 CEAERO Cn1ccnc1CC[NH2+]Cc1ccccc1N1CCCC1 ZINC000040639157 174363932 /nfs/dbraw/zinc/36/39/32/174363932.db2.gz QZMBRLIGRYYQNZ-UHFFFAOYSA-N 1 0 284.407 2.353 10 0 CEAERO O[C@H]1CCC[C@@H]([NH2+][C@@H]2CCN(CCc3ccccc3)C2)C1 ZINC000040671463 174369206 /nfs/dbraw/zinc/36/92/06/174369206.db2.gz GQMVAEKEUFLVCD-KURKYZTESA-N 1 0 288.435 2.197 10 0 CEAERO Cn1cc(N[C@H]2CC[N@H+](CCc3ccccc3)C2)cn1 ZINC000040671415 174369514 /nfs/dbraw/zinc/36/95/14/174369514.db2.gz PSTYMKHDGCNXRL-HNNXBMFYSA-N 1 0 270.380 2.149 10 0 CEAERO COc1ccc2ccccc2c1C[NH2+]C(C)(C)C(N)=O ZINC000040674475 174372584 /nfs/dbraw/zinc/37/25/84/174372584.db2.gz BVMXFHZUUPLGSH-UHFFFAOYSA-N 1 0 272.348 2.202 10 0 CEAERO CSc1ccc([C@H](C)[NH2+]C(C)(C)C(N)=O)cc1 ZINC000040674311 174373032 /nfs/dbraw/zinc/37/30/32/174373032.db2.gz ATZYZDIQSXEYJC-VIFPVBQESA-N 1 0 252.383 2.323 10 0 CEAERO CCOC1CCN([C@H](C[NH3+])c2cccc(OC)c2)CC1 ZINC000040689116 174375695 /nfs/dbraw/zinc/37/56/95/174375695.db2.gz IVCGNCDZQWCUJE-MRXNPFEDSA-N 1 0 278.396 2.196 10 0 CEAERO CCc1ccccc1Nc1nc[nH+]c(NN(C)C)c1N ZINC000040688246 174375926 /nfs/dbraw/zinc/37/59/26/174375926.db2.gz AEDQEOPGPPBAMZ-UHFFFAOYSA-N 1 0 272.356 2.253 10 0 CEAERO CCOC1CCN([C@H](C[NH3+])c2ccccc2C)CC1 ZINC000040689102 174376138 /nfs/dbraw/zinc/37/61/38/174376138.db2.gz MJHMZAAFAVWCIK-MRXNPFEDSA-N 1 0 262.397 2.496 10 0 CEAERO CCOC1CCN(C[C@@H]([NH3+])c2ccccc2OC)CC1 ZINC000040689337 174376267 /nfs/dbraw/zinc/37/62/67/174376267.db2.gz FPGBJXSWHHHNDN-OAHLLOKOSA-N 1 0 278.396 2.196 10 0 CEAERO C[C@H]1CC[N@H+](CCCC(=O)Nc2ccccc2N)C1 ZINC000040716843 174384127 /nfs/dbraw/zinc/38/41/27/174384127.db2.gz VRQUUMZOUNVCHA-LBPRGKRZSA-N 1 0 261.369 2.329 10 0 CEAERO COc1cc(OC)cc([C@H](C[NH3+])N2CC[C@@H](C)C2)c1 ZINC000040717279 174384506 /nfs/dbraw/zinc/38/45/06/174384506.db2.gz DYNVGBAVNBFILT-ABAIWWIYSA-N 1 0 264.369 2.045 10 0 CEAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1c[nH]c2ccccc12 ZINC000040740773 174390965 /nfs/dbraw/zinc/39/09/65/174390965.db2.gz IDTJUVMKRMLZKI-FOSCPWQOSA-N 1 0 269.348 2.181 10 0 CEAERO CCN(Cc1cn2ccccc2n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748103 174393291 /nfs/dbraw/zinc/39/32/91/174393291.db2.gz WKRJKBUPIIVKHC-MZBDJJRSSA-N 1 0 284.407 2.439 10 0 CEAERO CCN(Cc1ccoc1C(=O)OC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748334 174393325 /nfs/dbraw/zinc/39/33/25/174393325.db2.gz SPDYSVHPUDSYKN-PBWFPOADSA-N 1 0 292.379 2.171 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2ccccc2n1 ZINC000040749644 174394411 /nfs/dbraw/zinc/39/44/11/174394411.db2.gz TXYFWIZZVDCINV-AGUYFDCRSA-N 1 0 281.359 2.329 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1Cl ZINC000040749648 174394474 /nfs/dbraw/zinc/39/44/74/174394474.db2.gz AAGPIZYOXQWESN-FGWVZKOKSA-N 1 0 264.756 2.434 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(F)ccc1F ZINC000040749608 174394497 /nfs/dbraw/zinc/39/44/97/174394497.db2.gz REFCTVWINLQETD-FGWVZKOKSA-N 1 0 266.291 2.059 10 0 CEAERO Cc1ccc(F)cc1NC(=O)CN1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750002 174394812 /nfs/dbraw/zinc/39/48/12/174394812.db2.gz YWCJEYSVRFSECF-AGUYFDCRSA-N 1 0 291.370 2.027 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1noc(-c2ccccc2)n1 ZINC000040750192 174395365 /nfs/dbraw/zinc/39/53/65/174395365.db2.gz HXLMVKZAPYOBIC-AGUYFDCRSA-N 1 0 284.363 2.191 10 0 CEAERO CCc1nnc(COc2cc(OC)ccc2C[C@H](C)[NH3+])o1 ZINC000040905116 174430621 /nfs/dbraw/zinc/43/06/21/174430621.db2.gz LQDVTJXNWFZCQU-JTQLQIEISA-N 1 0 291.351 2.109 10 0 CEAERO CC[C@H]([NH3+])Cc1ccc(OC)cc1OCc1noc(C)n1 ZINC000040905453 174430997 /nfs/dbraw/zinc/43/09/97/174430997.db2.gz KJMGLBPFWJYNAL-LBPRGKRZSA-N 1 0 291.351 2.245 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(NC(=O)[C@H]2CCOC2)cc1 ZINC000040941554 174437576 /nfs/dbraw/zinc/43/75/76/174437576.db2.gz VJQGIULTMHQGHL-YPMHNXCESA-N 1 0 262.353 2.332 10 0 CEAERO CC(=O)c1cc(F)ccc1N1CC[C@H]([NH+](C)C)C1 ZINC000062965976 414760429 /nfs/dbraw/zinc/76/04/29/414760429.db2.gz JCSFYDKMTSLSKW-LBPRGKRZSA-N 1 0 250.317 2.169 10 0 CEAERO COc1ccc([C@H](C)NC(=O)CCCC[NH3+])cc1OC ZINC000070203059 414770022 /nfs/dbraw/zinc/77/00/22/414770022.db2.gz HIGCVPRRHNPSPG-NSHDSACASA-N 1 0 280.368 2.010 10 0 CEAERO COc1ccccc1N(C)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000070578010 414771630 /nfs/dbraw/zinc/77/16/30/414771630.db2.gz VSSKAUUSNMCWKK-RYUDHWBXSA-N 1 0 262.353 2.176 10 0 CEAERO C[C@@H]1C[C@@H]([NH2+]CC[C@@]2(O)CCOC2)CC(C)(C)C1 ZINC000404163404 414772931 /nfs/dbraw/zinc/77/29/31/414772931.db2.gz ZUIMSLFPVSUZIO-UMVBOHGHSA-N 1 0 255.402 2.332 10 0 CEAERO [NH3+]C1CCC(C(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000662873791 414782339 /nfs/dbraw/zinc/78/23/39/414782339.db2.gz RLRMLXAQPNLXDQ-ISDWTXNASA-N 1 0 250.386 2.056 10 0 CEAERO O=C1CC2(CCCCC2)C(=O)N1[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000041156922 174500551 /nfs/dbraw/zinc/50/05/51/174500551.db2.gz FQJPXRJHWKODOS-ZDUSSCGKSA-N 1 0 290.407 2.371 10 0 CEAERO C1CC1[NH2+][C@H](c1nc2c(s1)CCC2)[C@@H]1CCOC1 ZINC000041201051 174510140 /nfs/dbraw/zinc/51/01/40/174510140.db2.gz NXVPVJMYGAKSDL-RNCFNFMXSA-N 1 0 264.394 2.461 10 0 CEAERO CCCc1ccc(C(=O)CN2CCC[NH2+]CC2)cc1 ZINC000041348537 174529473 /nfs/dbraw/zinc/52/94/73/174529473.db2.gz OTOUVTDEFNXAOR-UHFFFAOYSA-N 1 0 260.381 2.117 10 0 CEAERO CC[C@H]1CN(c2cnc3ccccc3n2)CC[C@@H]1[NH3+] ZINC000123013103 414790479 /nfs/dbraw/zinc/79/04/79/414790479.db2.gz SYIHJGJOVZIUKE-RYUDHWBXSA-N 1 0 256.353 2.193 10 0 CEAERO CC[C@H]1CN(c2nc3ccccc3n2C)CC[C@@H]1[NH3+] ZINC000122955723 414792141 /nfs/dbraw/zinc/79/21/41/414792141.db2.gz KOBKYMUYRJIAAM-RYUDHWBXSA-N 1 0 258.369 2.137 10 0 CEAERO CN(C(=O)c1cccc(Cl)c1)[C@@H](C[NH3+])C(F)(F)F ZINC000662976250 414814961 /nfs/dbraw/zinc/81/49/61/414814961.db2.gz MSGMONHOGOWSKS-VIFPVBQESA-N 1 0 280.677 2.302 10 0 CEAERO CCOc1ccc(C(=O)N(C)[C@H](C[NH3+])C(F)(F)F)cc1 ZINC000662978183 414816733 /nfs/dbraw/zinc/81/67/33/414816733.db2.gz YXLVHZDFEOXAGZ-LLVKDONJSA-N 1 0 290.285 2.047 10 0 CEAERO C[C@H]([NH3+])c1cccc(NC(=O)N2CCOC(C)(C)C2)c1 ZINC000041716772 174615282 /nfs/dbraw/zinc/61/52/82/174615282.db2.gz VWRTWGXMEWPZMW-NSHDSACASA-N 1 0 277.368 2.349 10 0 CEAERO C[C@H](C(=O)N(C)C)n1ccc2c1CC(C)(C)C[C@@H]2[NH3+] ZINC000041723558 174618402 /nfs/dbraw/zinc/61/84/02/174618402.db2.gz BWBXFTZKEHLGJB-PWSUYJOCSA-N 1 0 263.385 2.110 10 0 CEAERO C[C@H](COCc1ccccc1)[NH2+]C[C@@H](O)CC(F)(F)F ZINC000307951738 414854060 /nfs/dbraw/zinc/85/40/60/414854060.db2.gz UZVSECNVCZJEDZ-YPMHNXCESA-N 1 0 291.313 2.495 10 0 CEAERO COCC1(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)CCC1 ZINC000311708870 414860232 /nfs/dbraw/zinc/86/02/32/414860232.db2.gz VQGILAGFFZNWBN-HOCLYGCPSA-N 1 0 267.413 2.430 10 0 CEAERO COc1cc(F)cc(C[NH2+][C@@H]2CCC[C@@H](O)C2)c1 ZINC000312250816 414861813 /nfs/dbraw/zinc/86/18/13/414861813.db2.gz BFWRUKFNMRNSEG-CHWSQXEVSA-N 1 0 253.317 2.227 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CCn1cc(Cl)cn1 ZINC000312221644 414862147 /nfs/dbraw/zinc/86/21/47/414862147.db2.gz BDNNEMMKXJHAPF-HUUCEWRRSA-N 1 0 296.846 2.485 10 0 CEAERO Cc1nc(CN[C@H](CC(C)C)C[NH+](C)C)[nH]c1C ZINC000657347122 414873905 /nfs/dbraw/zinc/87/39/05/414873905.db2.gz UJWBEJBPFAHAGK-CYBMUJFWSA-N 1 0 252.406 2.092 10 0 CEAERO CCC[NH2+][C@@H]1CCCC[C@@H]1CCS(=O)(=O)CC ZINC000042403394 174710837 /nfs/dbraw/zinc/71/08/37/174710837.db2.gz VSYNSBSRRXKOSS-CHWSQXEVSA-N 1 0 261.431 2.370 10 0 CEAERO O=C(NCCCC1CCCC1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653070332 414895306 /nfs/dbraw/zinc/89/53/06/414895306.db2.gz RTNZNNRVLMLLKR-VXGBXAGGSA-N 1 0 292.345 2.471 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]CCOCCF)c1C ZINC000663461851 414960813 /nfs/dbraw/zinc/96/08/13/414960813.db2.gz IBATUUVDACBSBT-JTQLQIEISA-N 1 0 257.353 2.157 10 0 CEAERO CN1C[C@@H](C[NH2+]Cc2ccc(C3CC3)cc2)CC1=O ZINC000657696074 415050485 /nfs/dbraw/zinc/05/04/85/415050485.db2.gz DNKVNHRLSKUKQU-CYBMUJFWSA-N 1 0 258.365 2.132 10 0 CEAERO CCCOc1cccc(C[NH2+]C[C@H]2CC(=O)N(C)C2)c1 ZINC000657695540 415050767 /nfs/dbraw/zinc/05/07/67/415050767.db2.gz AUPXTXBWEFOVTO-CQSZACIVSA-N 1 0 276.380 2.043 10 0 CEAERO CCCOc1ccc(C[NH2+]C[C@@H]2CC(=O)N(C)C2)cc1 ZINC000657694618 415050933 /nfs/dbraw/zinc/05/09/33/415050933.db2.gz NOUQZFYTKZNDSK-AWEZNQCLSA-N 1 0 276.380 2.043 10 0 CEAERO CN1C[C@H](C[NH2+]Cc2ccc(F)c(Cl)c2)CC1=O ZINC000657694202 415051166 /nfs/dbraw/zinc/05/11/66/415051166.db2.gz ATOGTLPTZCPBOQ-JTQLQIEISA-N 1 0 270.735 2.047 10 0 CEAERO CC1=C[C@H](C)C[C@H](C[NH2+]C[C@@H]2CC(=O)N(C)C2)C1 ZINC000657695452 415051367 /nfs/dbraw/zinc/05/13/67/415051367.db2.gz LZRSAPCIBPFKBF-UBHSHLNASA-N 1 0 250.386 2.047 10 0 CEAERO CC(C)N(CC(F)(F)F)C(=O)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000042781266 174877420 /nfs/dbraw/zinc/87/74/20/174877420.db2.gz AFBVBFGSKKRBSJ-ZJUUUORDSA-N 1 0 266.307 2.174 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1ccccc1)n1nnc(-c2ccccc2)n1 ZINC000042902797 174906790 /nfs/dbraw/zinc/90/67/90/174906790.db2.gz MCAVBXFDMBCWRQ-DOMZBBRYSA-N 1 0 279.347 2.277 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000043050551 174958341 /nfs/dbraw/zinc/95/83/41/174958341.db2.gz MFUABOONOLRVLE-KGLIPLIRSA-N 1 0 268.788 2.451 10 0 CEAERO [NH3+]C[C@@H](Sc1nnnn1C1CC1)c1ccccc1Cl ZINC000043089308 174963603 /nfs/dbraw/zinc/96/36/03/174963603.db2.gz PWPXKIFZBUEIHI-LLVKDONJSA-N 1 0 295.799 2.454 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccccc1OC)N1CCOC[C@@H]1C ZINC000043097402 174964987 /nfs/dbraw/zinc/96/49/87/174964987.db2.gz BFFXKASKLWVZGU-NOLJZWGESA-N 1 0 278.396 2.194 10 0 CEAERO CC[C@H]([NH3+])[C@@H](OCCOC)c1ccccc1OC ZINC000043099391 174967303 /nfs/dbraw/zinc/96/73/03/174967303.db2.gz KPUYUCYAPAWXBM-JSGCOSHPSA-N 1 0 253.342 2.137 10 0 CEAERO [NH3+]C[C@@H](c1cccs1)n1cc(Br)cn1 ZINC000043107299 174973337 /nfs/dbraw/zinc/97/33/37/174973337.db2.gz KCNUSVNRWLRBQL-QMMMGPOBSA-N 1 0 272.171 2.255 10 0 CEAERO [NH3+]C[C@H](Sc1nccc(=O)[nH]1)c1ccsc1 ZINC000043126152 174978158 /nfs/dbraw/zinc/97/81/58/174978158.db2.gz PGRIDHZFZZJFMT-QMMMGPOBSA-N 1 0 253.352 2.036 10 0 CEAERO CC(C)(C)c1ccc([C@H]([NH3+])[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000043299989 175001092 /nfs/dbraw/zinc/00/10/92/175001092.db2.gz BEXQOPQVZFDAOO-OCCSQVGLSA-N 1 0 281.421 2.419 10 0 CEAERO CC[NH2+][C@H](c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043300916 175001735 /nfs/dbraw/zinc/00/17/35/175001735.db2.gz NCBPLSPDYIISCK-UONOGXRCSA-N 1 0 267.394 2.080 10 0 CEAERO CC[NH2+][C@@H](c1cccc(OCC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043301077 175002170 /nfs/dbraw/zinc/00/21/70/175002170.db2.gz QHHPFBBJUASOCA-ZFWWWQNUSA-N 1 0 297.420 2.171 10 0 CEAERO COc1ccc(Cl)c(-n2nnc([C@@H](C)[NH3+])c2C)c1 ZINC000043318450 175005132 /nfs/dbraw/zinc/00/51/32/175005132.db2.gz XRSRDFWPPCWXNA-SSDOTTSWSA-N 1 0 266.732 2.257 10 0 CEAERO COc1ccc(Cl)c(NC(=O)[C@H]2CCCC[NH2+]2)c1 ZINC000043318536 175005466 /nfs/dbraw/zinc/00/54/66/175005466.db2.gz JVIZGELNLNYKRN-LLVKDONJSA-N 1 0 268.744 2.429 10 0 CEAERO COc1ccc(Cl)c(NC(=O)C[NH2+]C2CC2)c1 ZINC000043318637 175005535 /nfs/dbraw/zinc/00/55/35/175005535.db2.gz CQDCQAGSSDPVAY-UHFFFAOYSA-N 1 0 254.717 2.039 10 0 CEAERO CC(C)C(=O)Nc1ccc(N[C@@H]2CCC[NH2+]C2)cc1 ZINC000043326052 175007636 /nfs/dbraw/zinc/00/76/36/175007636.db2.gz PDBLPHFGMKKRID-CQSZACIVSA-N 1 0 261.369 2.445 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1nnnn1C1CC1)c1ccco1 ZINC000043338247 175012610 /nfs/dbraw/zinc/01/26/10/175012610.db2.gz DDUJVOQCIPJQFB-ONGXEEELSA-N 1 0 279.369 2.172 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1n[nH]c(C)n1)c1ccco1 ZINC000043338667 175013297 /nfs/dbraw/zinc/01/32/97/175013297.db2.gz HSAZMBIVGYBTIA-WCBMZHEXSA-N 1 0 252.343 2.277 10 0 CEAERO CCCO[C@@H]1CCCN([C@@H](c2ccccn2)[C@@H](C)[NH3+])C1 ZINC000043340595 175014681 /nfs/dbraw/zinc/01/46/81/175014681.db2.gz JVNCDGLPCXFEET-IIAWOOMASA-N 1 0 277.412 2.361 10 0 CEAERO [NH3+]C[C@@H](c1ccccn1)n1ccnc1-c1ccccc1 ZINC000043341485 175015553 /nfs/dbraw/zinc/01/55/53/175015553.db2.gz RQYGBWKEXZCIBS-HNNXBMFYSA-N 1 0 264.332 2.493 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccccn1)n1cc(Cl)cn1 ZINC000043341464 175015573 /nfs/dbraw/zinc/01/55/73/175015573.db2.gz LLXDTTCYJNGARF-ZYHUDNBSSA-N 1 0 250.733 2.258 10 0 CEAERO C[C@H]([NH3+])[C@@H](OC[C@@H]1CCCCO1)c1ccccn1 ZINC000043342866 175015632 /nfs/dbraw/zinc/01/56/32/175015632.db2.gz MWSWMKMUZGNACH-SGMGOOAPSA-N 1 0 250.342 2.056 10 0 CEAERO Cc1cnc(S[C@@H](c2ccccn2)[C@H](C)[NH3+])nc1 ZINC000043345339 175016847 /nfs/dbraw/zinc/01/68/47/175016847.db2.gz UJNRCPNWWSXMTR-CMPLNLGQSA-N 1 0 260.366 2.361 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1cccnc1)N(C)Cc1ccccn1 ZINC000043346501 175017355 /nfs/dbraw/zinc/01/73/55/175017355.db2.gz FKAOFEQVHQKHDN-HOTGVXAUSA-N 1 0 270.380 2.387 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1cccnc1)N(CC)[C@@H](C)COC ZINC000043348595 175018994 /nfs/dbraw/zinc/01/89/94/175018994.db2.gz WMYHMTWHBOQFKV-NWANDNLSSA-N 1 0 265.401 2.217 10 0 CEAERO CN(C)c1cccc(O[C@H](C[NH3+])c2cccnc2)c1 ZINC000043351442 175019682 /nfs/dbraw/zinc/01/96/82/175019682.db2.gz IGEQOLBNZDLBAT-OAHLLOKOSA-N 1 0 257.337 2.226 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1nc(C)cc(=O)[nH]1)c1cccnc1 ZINC000043352035 175019727 /nfs/dbraw/zinc/01/97/27/175019727.db2.gz OQVYAOIJEXUFRD-YPMHNXCESA-N 1 0 290.392 2.456 10 0 CEAERO Cc1cnc(S[C@@H](c2cccnc2)[C@@H](C)[NH3+])nc1 ZINC000043352842 175020076 /nfs/dbraw/zinc/02/00/76/175020076.db2.gz DBPYBHYCTANTNC-ZYHUDNBSSA-N 1 0 260.366 2.361 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccncc1)N(CC)[C@@H](C)COC ZINC000043354804 175021958 /nfs/dbraw/zinc/02/19/58/175021958.db2.gz XJNBPESUQILRFF-NWANDNLSSA-N 1 0 265.401 2.217 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccncc1)n1cc(Br)cn1 ZINC000043354987 175023019 /nfs/dbraw/zinc/02/30/19/175023019.db2.gz JWPJPSCEGZRXIL-RYUDHWBXSA-N 1 0 295.184 2.367 10 0 CEAERO C[C@@H]([NH3+])[C@@H](Oc1ccc2c(c1)OCO2)c1ccncc1 ZINC000043355832 175023395 /nfs/dbraw/zinc/02/33/95/175023395.db2.gz GHBHGEWSDAXJNT-MEBBXXQBSA-N 1 0 272.304 2.278 10 0 CEAERO CC[C@@H]([NH3+])[C@H](SCCC(=O)OC)c1ccncc1 ZINC000043363463 175023951 /nfs/dbraw/zinc/02/39/51/175023951.db2.gz ZKINQRSCGBXOJG-DGCLKSJQSA-N 1 0 268.382 2.156 10 0 CEAERO Cc1cc(CN(C)[C@@H](c2ccc(C)o2)[C@@H](C)[NH3+])no1 ZINC000043364432 175024470 /nfs/dbraw/zinc/02/44/70/175024470.db2.gz HLHZUWJQSJQLAD-BXUZGUMPSA-N 1 0 263.341 2.405 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccc(C)o1)N1CCCC[C@@H]1CO ZINC000043364606 175025885 /nfs/dbraw/zinc/02/58/85/175025885.db2.gz AXYMCMYNCZYNJJ-VNHYZAJKSA-N 1 0 266.385 2.213 10 0 CEAERO Cc1ccc([C@H]([C@@H](C)[NH3+])N(CCCO)C(C)C)o1 ZINC000043365165 175026761 /nfs/dbraw/zinc/02/67/61/175026761.db2.gz UXVOMDBAECHDIZ-OCCSQVGLSA-N 1 0 254.374 2.069 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)N(CCO)C(C)C ZINC000043365148 175026937 /nfs/dbraw/zinc/02/69/37/175026937.db2.gz BYPBSFOAMSFIET-JSGCOSHPSA-N 1 0 254.374 2.069 10 0 CEAERO CC[C@H]([NH3+])[C@@H](N(C)Cc1cccnc1)C(F)(F)F ZINC000043377298 175030115 /nfs/dbraw/zinc/03/01/15/175030115.db2.gz STWAYIUDLACKNP-WDEREUQCSA-N 1 0 261.291 2.182 10 0 CEAERO COc1ccc(CN(C)[C@@H]([C@@H](C)[NH3+])C(F)(F)F)cc1 ZINC000043378162 175030442 /nfs/dbraw/zinc/03/04/42/175030442.db2.gz KIRIYTFYYXWWSE-SKDRFNHKSA-N 1 0 276.302 2.405 10 0 CEAERO C[C@@H]([NH3+])[C@@H](OCCOc1ccccc1)C(F)(F)F ZINC000043384176 175031144 /nfs/dbraw/zinc/03/11/44/175031144.db2.gz LQZVUMBHJDWDHJ-MWLCHTKSSA-N 1 0 263.259 2.360 10 0 CEAERO Cc1ncsc1CCO[C@H]([C@H](C)[NH3+])C(F)(F)F ZINC000043384373 175031558 /nfs/dbraw/zinc/03/15/58/175031558.db2.gz HTNWKZQXSINZSY-IMTBSYHQSA-N 1 0 268.304 2.289 10 0 CEAERO C[C@H]([NH3+])[C@H](Oc1cccc(N(C)C)c1)C(F)(F)F ZINC000043385353 175031856 /nfs/dbraw/zinc/03/18/56/175031856.db2.gz IJZZZAJEFUEUDV-KWQFWETISA-N 1 0 262.275 2.410 10 0 CEAERO CC[C@H](C)[NH2+][C@@H](C(N)=O)c1ccc(Cl)c(F)c1 ZINC000043390934 175034325 /nfs/dbraw/zinc/03/43/25/175034325.db2.gz IPYUOFDBXUNGCR-WRWORJQWSA-N 1 0 258.724 2.394 10 0 CEAERO COC1CCN([C@@H](C[NH3+])c2cc(C)cc(C)c2)CC1 ZINC000043394073 175034624 /nfs/dbraw/zinc/03/46/24/175034624.db2.gz QCESUBBSNPZWEC-INIZCTEOSA-N 1 0 262.397 2.414 10 0 CEAERO Cc1ccc(Cl)c(NC(=O)[C@H]2C[NH2+]CCO2)c1Cl ZINC000043707474 175100530 /nfs/dbraw/zinc/10/05/30/175100530.db2.gz BCHAXOGSRUZCIC-SECBINFHSA-N 1 0 289.162 2.229 10 0 CEAERO O=C([C@@H]1C[NH2+]CCO1)N(C1CCCCC1)C1CCCCC1 ZINC000043707605 175100722 /nfs/dbraw/zinc/10/07/22/175100722.db2.gz DUYLVPADVVHCDV-INIZCTEOSA-N 1 0 294.439 2.469 10 0 CEAERO C[NH2+][C@H]1CCC2(C[C@@H]1N(C)Cc1ccccc1)OCCO2 ZINC000043816423 175112108 /nfs/dbraw/zinc/11/21/08/175112108.db2.gz WKRXURFZOBKRRX-HOTGVXAUSA-N 1 0 290.407 2.002 10 0 CEAERO CCCCN(C)C[C@H]([NH2+]C)c1ccc2c(c1)OCO2 ZINC000043816732 175112617 /nfs/dbraw/zinc/11/26/17/175112617.db2.gz ADCCEETUAOVZIY-ZDUSSCGKSA-N 1 0 264.369 2.408 10 0 CEAERO CC[NH2+][C@H]1CCCC[C@H]1N(C)CCc1ccccn1 ZINC000043818869 175113854 /nfs/dbraw/zinc/11/38/54/175113854.db2.gz PAMPGNXYHBQCES-JKSUJKDBSA-N 1 0 261.413 2.477 10 0 CEAERO CCN(C)C[C@H]([NH2+]C)c1ccc2c(c1)OCCCO2 ZINC000043820085 175113893 /nfs/dbraw/zinc/11/38/93/175113893.db2.gz OOBAMPZBSLLBKD-ZDUSSCGKSA-N 1 0 264.369 2.060 10 0 CEAERO CC[NH2+][C@H](CN1CCOC[C@@H]1C)c1ccccc1OCC ZINC000043891539 175118061 /nfs/dbraw/zinc/11/80/61/175118061.db2.gz NMIISCUAAAHQSC-GOEBONIOSA-N 1 0 292.423 2.457 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2OC[C@@H]1N1CCC(OC)CC1 ZINC000043890278 175118356 /nfs/dbraw/zinc/11/83/56/175118356.db2.gz CTCFTMJINUBHIK-DOTOQJQBSA-N 1 0 290.407 2.209 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2OC[C@H]1N(C)Cc1ccccn1 ZINC000043894373 175119174 /nfs/dbraw/zinc/11/91/74/175119174.db2.gz VCHIHWQGJOYRPL-NVXWUHKLSA-N 1 0 283.375 2.235 10 0 CEAERO C[NH2+][C@H]1c2ccccc2C[C@H]1N(C)Cc1ccncc1 ZINC000043893864 175119240 /nfs/dbraw/zinc/11/92/40/175119240.db2.gz LYRHSQYBVAQPNE-SJORKVTESA-N 1 0 267.376 2.399 10 0 CEAERO CC[NH2+][C@@H]1CCOC[C@@H]1N(C)Cc1ccccc1C ZINC000043910292 175123166 /nfs/dbraw/zinc/12/31/66/175123166.db2.gz GQRDZLSBDXWKHR-CVEARBPZSA-N 1 0 262.397 2.194 10 0 CEAERO C[NH2+][C@@H]1CCC2(C[C@@H]1N(CC(C)C)CC(C)C)OCCO2 ZINC000043909591 175123183 /nfs/dbraw/zinc/12/31/83/175123183.db2.gz PZZFYMURBOBVBG-CVEARBPZSA-N 1 0 298.471 2.484 10 0 CEAERO CCC[NH2+][C@@H]1CCOC[C@@H]1N(C)Cc1ccc(F)cc1 ZINC000043911397 175123796 /nfs/dbraw/zinc/12/37/96/175123796.db2.gz IDUDWNJBBBDIDT-CVEARBPZSA-N 1 0 280.387 2.415 10 0 CEAERO CC[C@@H]1CO[C@@H](C)CN1[C@@H]1CCCCC[C@@H]1[NH2+]C ZINC000043913704 175124543 /nfs/dbraw/zinc/12/45/43/175124543.db2.gz WPNNWBFZNNEBQY-LJISPDSOSA-N 1 0 254.418 2.406 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2CC[C@H]1N(C)CCOC ZINC000043916111 175125155 /nfs/dbraw/zinc/12/51/55/175125155.db2.gz OFBMCYCVXLJYMG-CVEARBPZSA-N 1 0 262.397 2.230 10 0 CEAERO CC(C)CCOc1cc2c(cc1CC[NH3+])OCO2 ZINC000044418119 175173245 /nfs/dbraw/zinc/17/32/45/175173245.db2.gz HBWDZTYCGLVUKU-UHFFFAOYSA-N 1 0 251.326 2.341 10 0 CEAERO CC[NH2+][C@@H]1CCCc2cc(O[C@H](C)C(=O)NC)ccc21 ZINC000044745593 175241919 /nfs/dbraw/zinc/24/19/19/175241919.db2.gz FLYFCJCNIYUXQT-IAQYHMDHSA-N 1 0 276.380 2.187 10 0 CEAERO CC[NH2+][C@H]1CCCc2cc(O[C@@H]3CCOC3=O)ccc21 ZINC000044745556 175241990 /nfs/dbraw/zinc/24/19/90/175241990.db2.gz IEKHYFGNTWPXBF-LSDHHAIUSA-N 1 0 275.348 2.368 10 0 CEAERO C[C@@H](NC(=O)C1(C[NH3+])CCCCC1)c1cccnc1 ZINC000044762625 175246851 /nfs/dbraw/zinc/24/68/51/175246851.db2.gz NPKHGVZUGJGNRS-GFCCVEGCSA-N 1 0 261.369 2.168 10 0 CEAERO CCC(CC)(C[NH3+])C(=O)N[C@@H](C)Cc1ccco1 ZINC000044763622 175247394 /nfs/dbraw/zinc/24/73/94/175247394.db2.gz GTYGUSDMHMXZJQ-NSHDSACASA-N 1 0 252.358 2.092 10 0 CEAERO C[C@@H](Cc1ccco1)NC(=O)C1(C[NH3+])CCCCC1 ZINC000044763616 175247453 /nfs/dbraw/zinc/24/74/53/175247453.db2.gz USTPHQKKDNIJFH-LBPRGKRZSA-N 1 0 264.369 2.236 10 0 CEAERO CN(C[C@@H]1CCCCO1)C(=O)C1(C[NH3+])CCCCCC1 ZINC000044763350 175247576 /nfs/dbraw/zinc/24/75/76/175247576.db2.gz ZLSGKQNMBUVVEE-AWEZNQCLSA-N 1 0 282.428 2.313 10 0 CEAERO CC(C)CCC[C@H](C)NC(=O)C1(C[NH3+])CCOCC1 ZINC000044763634 175247602 /nfs/dbraw/zinc/24/76/02/175247602.db2.gz CEVDYEXMUFKQGY-ZDUSSCGKSA-N 1 0 270.417 2.073 10 0 CEAERO COCCN(CC(C)C)C(=O)C1(C[NH3+])CCCCC1 ZINC000044763932 175247780 /nfs/dbraw/zinc/24/77/80/175247780.db2.gz VUGFLYIEKLWTRE-UHFFFAOYSA-N 1 0 270.417 2.027 10 0 CEAERO CCC(CC)(C[NH3+])C(=O)N(CC(F)(F)F)C1CC1 ZINC000044764260 175248107 /nfs/dbraw/zinc/24/81/07/175248107.db2.gz NMXOGGCZBQADIF-UHFFFAOYSA-N 1 0 266.307 2.305 10 0 CEAERO COCCN(C(=O)C1(C[NH3+])CCCCC1)[C@H](C)C1CC1 ZINC000044764189 175248251 /nfs/dbraw/zinc/24/82/51/175248251.db2.gz ZKNISXFZZLBDBD-CYBMUJFWSA-N 1 0 282.428 2.169 10 0 CEAERO C[C@H](C[NH3+])C(=O)NC(c1ccccc1)c1ccccc1 ZINC000044800204 175255527 /nfs/dbraw/zinc/25/55/27/175255527.db2.gz HICMCOUYBIMURT-CYBMUJFWSA-N 1 0 268.360 2.487 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)Nc1cccc(COC)c1 ZINC000044806243 175256400 /nfs/dbraw/zinc/25/64/00/175256400.db2.gz LQEPKKQZHCRXKN-GFCCVEGCSA-N 1 0 250.342 2.147 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)N(CC(F)(F)F)C(C)C ZINC000044808189 175257081 /nfs/dbraw/zinc/25/70/81/175257081.db2.gz SEOJZUDFZSERIG-VIFPVBQESA-N 1 0 254.296 2.161 10 0 CEAERO Cc1noc(CNc2ccc(N)c3c[nH+]ccc23)n1 ZINC000044987950 175284940 /nfs/dbraw/zinc/28/49/40/175284940.db2.gz RFRJQYJJJKJCMG-UHFFFAOYSA-N 1 0 255.281 2.121 10 0 CEAERO COCC[C@H](C)[NH2+][C@H](CC(=O)OC)c1cccs1 ZINC000045023376 175292241 /nfs/dbraw/zinc/29/22/41/175292241.db2.gz DIRFMWGKSQKCHL-WDEREUQCSA-N 1 0 271.382 2.367 10 0 CEAERO C[NH2+][C@@H]1CCOC[C@H]1n1ccnc1-c1cccs1 ZINC000045048124 175297171 /nfs/dbraw/zinc/29/71/71/175297171.db2.gz NDGFDELBEWKFLQ-GHMZBOCLSA-N 1 0 263.366 2.161 10 0 CEAERO C[C@H](CN1C(=S)N=NC1c1cccs1)[NH+](C)C ZINC000045108453 175308727 /nfs/dbraw/zinc/30/87/27/175308727.db2.gz NKLTUSPQKCFMMX-MRVPVSSYSA-N 1 0 268.411 2.245 10 0 CEAERO Nc1cccc2c1C[N@H+](CCCCn1ccnc1)C2 ZINC000045109245 175309634 /nfs/dbraw/zinc/30/96/34/175309634.db2.gz IYWIMKGUEWHPFN-UHFFFAOYSA-N 1 0 256.353 2.261 10 0 CEAERO CC1(C)C[C@@H]1[NH2+]CC(=O)N1CCc2sccc2C1 ZINC000045119467 175312035 /nfs/dbraw/zinc/31/20/35/175312035.db2.gz MUTPIUPUUIQSOP-LBPRGKRZSA-N 1 0 264.394 2.021 10 0 CEAERO C[C@H](C(N)=S)[N@H+](C)Cc1ccc2ccccc2n1 ZINC000045147133 175317103 /nfs/dbraw/zinc/31/71/03/175317103.db2.gz JDLJQYMEQDWRTL-SNVBAGLBSA-N 1 0 259.378 2.341 10 0 CEAERO CCn1nc(C)c([C@@H](C)NCCC[NH+](C)C)c1C ZINC000045167685 175319179 /nfs/dbraw/zinc/31/91/79/175319179.db2.gz XLDRCJVDEHMOSO-LLVKDONJSA-N 1 0 252.406 2.122 10 0 CEAERO Cc1nn(C)c(C)c1[C@H](C)NCCC[NH+]1CCCC1 ZINC000045168323 175319515 /nfs/dbraw/zinc/31/95/15/175319515.db2.gz BCZQZNBYTSYTND-LBPRGKRZSA-N 1 0 264.417 2.173 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]CCc1ccncc1 ZINC000045171511 175321063 /nfs/dbraw/zinc/32/10/63/175321063.db2.gz LTCLOBBFFFMIOC-LLVKDONJSA-N 1 0 258.369 2.325 10 0 CEAERO Cc1nn(C)c(C)c1[C@H](C)N[C@@H](C)CC[NH+](C)C ZINC000045172570 175321969 /nfs/dbraw/zinc/32/19/69/175321969.db2.gz MAEXBJMECXHDKF-QWRGUYRKSA-N 1 0 252.406 2.028 10 0 CEAERO CCN[C@@](C[N@@H+]1CCC[C@@H]1C)(C(=O)OC)c1ccccc1 ZINC000045221489 175330744 /nfs/dbraw/zinc/33/07/44/175330744.db2.gz JJPZUZMDPQYLNC-WMLDXEAASA-N 1 0 290.407 2.149 10 0 CEAERO CCCN[C@](C)(CCN1CCc2ccccc21)C(=O)OC ZINC000045224346 175332280 /nfs/dbraw/zinc/33/22/80/175332280.db2.gz MRQIFTXYRLPFCE-QGZVFWFLSA-N 1 0 290.407 2.371 10 0 CEAERO CCOC(=O)[C@@](C)(CN1CCc2ccccc21)NC(C)C ZINC000045224267 175332380 /nfs/dbraw/zinc/33/23/80/175332380.db2.gz YGZHICAKWMWVOG-QGZVFWFLSA-N 1 0 290.407 2.369 10 0 CEAERO CCOC(=O)[C@@](C[NH+](CC)CC)(NC)c1ccccc1 ZINC000045226467 175333328 /nfs/dbraw/zinc/33/33/28/175333328.db2.gz GFSLPCKLZMPWER-INIZCTEOSA-N 1 0 278.396 2.006 10 0 CEAERO CCOC(=O)[C@](N)(C[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000045226862 175333544 /nfs/dbraw/zinc/33/35/44/175333544.db2.gz JIDKGYVNUXPLBU-YOEHRIQHSA-N 1 0 290.407 2.278 10 0 CEAERO CCCN[C@@](C)(CC[N@@H+]1CCCC[C@@H]1C)C(=O)OC ZINC000045227098 175333621 /nfs/dbraw/zinc/33/36/21/175333621.db2.gz PKRLUCMOUFLMCQ-ZFWWWQNUSA-N 1 0 270.417 2.182 10 0 CEAERO CCCN[C@@](C[N@H+](C)C(C)C)(C(=O)OC)c1ccccc1 ZINC000045229382 175334226 /nfs/dbraw/zinc/33/42/26/175334226.db2.gz CCNXUCDXUWVLKC-QGZVFWFLSA-N 1 0 292.423 2.395 10 0 CEAERO CCOC(=O)[C@](C)(C[N@H+](CC)CC(C)C)NC(C)C ZINC000045264136 175337582 /nfs/dbraw/zinc/33/75/82/175337582.db2.gz JOLFISYMJYECMK-HNNXBMFYSA-N 1 0 272.433 2.284 10 0 CEAERO CCC[N@H+](C[C@](C)(NC1CC1)C(=O)OCC)C(C)C ZINC000045266846 175338952 /nfs/dbraw/zinc/33/89/52/175338952.db2.gz PAKLLKFERBBASY-HNNXBMFYSA-N 1 0 270.417 2.181 10 0 CEAERO CCN[C@](C)(C[N@H+](C)C(CC)CC)C(=O)OCC ZINC000045269641 175341452 /nfs/dbraw/zinc/34/14/52/175341452.db2.gz RXANPKBXXISWEQ-CQSZACIVSA-N 1 0 258.406 2.038 10 0 CEAERO CCOC(=O)[C@](C)(CC[N@H+](C)[C@@H](C)C(C)C)NC1CC1 ZINC000045269981 175341634 /nfs/dbraw/zinc/34/16/34/175341634.db2.gz BEHJDBPFBBUVFN-BBRMVZONSA-N 1 0 284.444 2.427 10 0 CEAERO CCOC(=O)[C@](C)(C[N@H+](C)C(CC)CC)NC(C)C ZINC000045269664 175341868 /nfs/dbraw/zinc/34/18/68/175341868.db2.gz ZTUGCXYMITUCJU-HNNXBMFYSA-N 1 0 272.433 2.427 10 0 CEAERO COC(=O)[C@@](C)(C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)NC(C)C ZINC000045272101 175342963 /nfs/dbraw/zinc/34/29/63/175342963.db2.gz SGKUFAVTHJAYDU-ZMSDIMECSA-N 1 0 296.455 2.428 10 0 CEAERO CCCC[N@H+](CC[C@@](C)(NCC)C(=O)OC)C1CC1 ZINC000045276348 175346714 /nfs/dbraw/zinc/34/67/14/175346714.db2.gz RPQPXWUTDYPOMZ-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CCCC[N@H+](CC[C@](C)(NCC)C(=O)OC)C1CC1 ZINC000045276346 175346853 /nfs/dbraw/zinc/34/68/53/175346853.db2.gz RPQPXWUTDYPOMZ-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CCCN[C@](C)(CC[N@@H+]1CCC[C@@H]1C1CCCC1)C(N)=O ZINC000045277429 175347680 /nfs/dbraw/zinc/34/76/80/175347680.db2.gz BGICBNCZEUVLSF-NVXWUHKLSA-N 1 0 295.471 2.275 10 0 CEAERO CCN[C@](C)(C[N@H+](CC(C)C)C1CC1)C(=O)OCC ZINC000045277492 175347790 /nfs/dbraw/zinc/34/77/90/175347790.db2.gz UJXCXYIIUCRNIJ-OAHLLOKOSA-N 1 0 270.417 2.038 10 0 CEAERO CCCCC[N@H+](CC[C@](C)(N)C(=O)OC)C(C)C ZINC000045278614 175347987 /nfs/dbraw/zinc/34/79/87/175347987.db2.gz DKSQJMBYYUHOJM-AWEZNQCLSA-N 1 0 258.406 2.168 10 0 CEAERO CCCCC[N@H+](CC[C@@](C)(NC)C(=O)OC)C(C)C ZINC000045278625 175348276 /nfs/dbraw/zinc/34/82/76/175348276.db2.gz ISLMKOTVKWYKAQ-OAHLLOKOSA-N 1 0 272.433 2.428 10 0 CEAERO CCC[NH2+][C@](C)(CC[N@H+](C)CC(C)(C)C)C(=O)[O-] ZINC000045279362 175349348 /nfs/dbraw/zinc/34/93/48/175349348.db2.gz AZGGFGBQMBRIPC-CQSZACIVSA-N 1 0 258.406 2.197 10 0 CEAERO CCN[C@@](C)(CC[N@H+](C)CCC(C)C)C(=O)OCC ZINC000045281291 175351765 /nfs/dbraw/zinc/35/17/65/175351765.db2.gz YCSVISYNXKOJJV-HNNXBMFYSA-N 1 0 272.433 2.286 10 0 CEAERO CCN[C@](C)(C[N@H+](C)C1CCC(CC)CC1)C(=O)OC ZINC000045281104 175352085 /nfs/dbraw/zinc/35/20/85/175352085.db2.gz YSHPBUUQMRZOGJ-ZBCRRDGASA-N 1 0 284.444 2.428 10 0 CEAERO CCN[C@@](C)(C[N@H+](C)CC1CCCCC1)C(=O)OC ZINC000045281555 175352973 /nfs/dbraw/zinc/35/29/73/175352973.db2.gz GMOAUCRAEPQNQM-HNNXBMFYSA-N 1 0 270.417 2.040 10 0 CEAERO COC(=O)[C@](C)(N)CCCC[NH+]1CCCCCCC1 ZINC000045371387 175364319 /nfs/dbraw/zinc/36/43/19/175364319.db2.gz REBUQAYKDOWDJJ-OAHLLOKOSA-N 1 0 270.417 2.313 10 0 CEAERO CCCN[C@](C)(CCC[NH+]1CCCC1)C(=O)OCC ZINC000045375394 175366349 /nfs/dbraw/zinc/36/63/49/175366349.db2.gz VQBWFDPEAXUMGW-OAHLLOKOSA-N 1 0 270.417 2.184 10 0 CEAERO CCCN[C@](C)(CCC[NH+](CC)CC)C(=O)OCC ZINC000045375935 175366559 /nfs/dbraw/zinc/36/65/59/175366559.db2.gz SEZOXGYWADXUOQ-OAHLLOKOSA-N 1 0 272.433 2.430 10 0 CEAERO CCC[NH2+][C@@](C)(CCC[NH+]1CCCCCC1)C(=O)[O-] ZINC000045377494 175367152 /nfs/dbraw/zinc/36/71/52/175367152.db2.gz CEQFRYIXTXLMTN-HNNXBMFYSA-N 1 0 270.417 2.486 10 0 CEAERO CCOC(=O)[C@@](C)(CCC[NH+]1CCCCC1)NC1CC1 ZINC000045378375 175367802 /nfs/dbraw/zinc/36/78/02/175367802.db2.gz RSXASRFNMFZETN-MRXNPFEDSA-N 1 0 282.428 2.326 10 0 CEAERO CCOC(=O)[C@](C)(CCCC[N@H+](C)C(C)C)NC ZINC000045377967 175367860 /nfs/dbraw/zinc/36/78/60/175367860.db2.gz RTVMBGZJTASKOV-AWEZNQCLSA-N 1 0 258.406 2.038 10 0 CEAERO CCOC(=O)[C@@](C)(CCCC[N@H+](C)CC(C)C)NC ZINC000045380847 175369875 /nfs/dbraw/zinc/36/98/75/175369875.db2.gz WBDLHYGHTXGDDS-OAHLLOKOSA-N 1 0 272.433 2.286 10 0 CEAERO CCN[C@@](C)(CCC[N@H+](C)CC(C)C)C(=O)OCC ZINC000045381002 175370408 /nfs/dbraw/zinc/37/04/08/175370408.db2.gz IMBDXLBCMYJXDT-HNNXBMFYSA-N 1 0 272.433 2.286 10 0 CEAERO CCC[N@H+](C)CCC[C@@](C)(NC1CC1)C(=O)OCC ZINC000045382422 175371471 /nfs/dbraw/zinc/37/14/71/175371471.db2.gz FNMKFMPTYKTNAX-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CCC[N@H+](CCC[C@@](C)([NH2+]CC)C(=O)[O-])C1CC1 ZINC000045387520 175373097 /nfs/dbraw/zinc/37/30/97/175373097.db2.gz NYPCZONZTQVVKI-CQSZACIVSA-N 1 0 256.390 2.094 10 0 CEAERO CCC[N@H+](CC)CCC[C@](C)(NC(C)C)C(=O)OC ZINC000045387122 175373300 /nfs/dbraw/zinc/37/33/00/175373300.db2.gz AXJSWRRUSDFUIZ-HNNXBMFYSA-N 1 0 272.433 2.428 10 0 CEAERO CCOC(=O)[C@](C)(CCC[N@H+](C)[C@@H](C)C1CC1)NC ZINC000045393000 175375760 /nfs/dbraw/zinc/37/57/60/175375760.db2.gz UBPMBXLSXPCBDP-WFASDCNBSA-N 1 0 270.417 2.038 10 0 CEAERO C[NH2+][C@@](C)(CCCC[N@H+](C)[C@@H](C)C(C)C)C(=O)[O-] ZINC000045391894 175375812 /nfs/dbraw/zinc/37/58/12/175375812.db2.gz LGKVPUBHZKEXMY-JSGCOSHPSA-N 1 0 258.406 2.196 10 0 CEAERO CCCN[C@@](C)(CCC[N@H+](C)CC1CC1)C(=O)OC ZINC000045419967 175378266 /nfs/dbraw/zinc/37/82/66/175378266.db2.gz UZOMDPBZGLQVLD-HNNXBMFYSA-N 1 0 270.417 2.040 10 0 CEAERO COC(=O)[C@](C)([NH3+])CCCCN(CC(F)(F)F)C1CC1 ZINC000045420705 175379371 /nfs/dbraw/zinc/37/93/71/175379371.db2.gz PFRMPXQYLURPIP-GFCCVEGCSA-N 1 0 296.333 2.074 10 0 CEAERO CCc1nc(CC)c(C)c(NCC2CC[NH2+]CC2)n1 ZINC000045954834 175388945 /nfs/dbraw/zinc/38/89/45/175388945.db2.gz KAOAFBWWJPAMTC-UHFFFAOYSA-N 1 0 262.401 2.321 10 0 CEAERO Cc1cc(N[C@@H]2CCC[NH2+]C2)nc(-c2cccnc2)n1 ZINC000045955132 175388968 /nfs/dbraw/zinc/38/89/68/175388968.db2.gz VUOGQBVBHNGKSY-CYBMUJFWSA-N 1 0 269.352 2.011 10 0 CEAERO CN1C[C@H](C[NH2+]C2CC(c3ccc(F)cc3)C2)CC1=O ZINC000658238246 415271653 /nfs/dbraw/zinc/27/16/53/415271653.db2.gz FRMFIXFYTYNDLJ-ZOODHJKOSA-N 1 0 276.355 2.140 10 0 CEAERO CN1C[C@@H](C[NH2+][C@H]2CCCC23CCCC3)CC1=O ZINC000658239114 415271877 /nfs/dbraw/zinc/27/18/77/415271877.db2.gz BAYRXEPGOLWCHM-OLZOCXBDSA-N 1 0 250.386 2.167 10 0 CEAERO CC[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1ccccc1F ZINC000658240043 415273981 /nfs/dbraw/zinc/27/39/81/415273981.db2.gz PHGAMAIUWUNRKZ-SMDDNHRTSA-N 1 0 264.344 2.345 10 0 CEAERO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1cnc2ccsc2c1 ZINC000658243533 415279496 /nfs/dbraw/zinc/27/94/96/415279496.db2.gz OFKMWADEDDFZRA-GHMZBOCLSA-N 1 0 289.404 2.425 10 0 CEAERO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1ccc2c(c1)CCC2 ZINC000658246461 415282763 /nfs/dbraw/zinc/28/27/63/415282763.db2.gz ZYMULRCWWBSOHC-STQMWFEESA-N 1 0 272.392 2.304 10 0 CEAERO C[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@@H](O)C2)[C@H]1CCO ZINC000661498563 415292733 /nfs/dbraw/zinc/29/27/33/415292733.db2.gz LXZRZGXBQRVUNL-TUVASFSCSA-N 1 0 255.402 2.020 10 0 CEAERO CCc1ccc(N(C)[C@@H](C[NH3+])c2cnn(C)c2)cc1 ZINC000049977850 175506135 /nfs/dbraw/zinc/50/61/35/175506135.db2.gz DXECHCGEOZSKSW-HNNXBMFYSA-N 1 0 258.369 2.119 10 0 CEAERO Cc1cc(C)cc(N(C)[C@@H](C[NH3+])c2cnn(C)c2)c1 ZINC000049978040 175506166 /nfs/dbraw/zinc/50/61/66/175506166.db2.gz JALOTQNJADUADF-HNNXBMFYSA-N 1 0 258.369 2.173 10 0 CEAERO Cc1cc(C)cc(N(C)[C@H](C[NH3+])c2cnn(C)c2)c1 ZINC000049978042 175506249 /nfs/dbraw/zinc/50/62/49/175506249.db2.gz JALOTQNJADUADF-OAHLLOKOSA-N 1 0 258.369 2.173 10 0 CEAERO COc1ccc([C@H]([NH3+])[C@H]2CCCCO2)cc1OC ZINC000050960623 175521377 /nfs/dbraw/zinc/52/13/77/175521377.db2.gz RYHTVIULQHJCJN-OCCSQVGLSA-N 1 0 251.326 2.273 10 0 CEAERO C[NH2+]CC(C)(C)Oc1c(OC)cc(C)cc1OC ZINC000051958015 175528669 /nfs/dbraw/zinc/52/86/69/175528669.db2.gz OIMXUVOGSXWHAX-UHFFFAOYSA-N 1 0 253.342 2.389 10 0 CEAERO Cc1ccc(CCC(=O)N2CCCC[C@H]2C[NH3+])cc1 ZINC000052946125 175541229 /nfs/dbraw/zinc/54/12/29/175541229.db2.gz UANKRNAJUGXHJK-HNNXBMFYSA-N 1 0 260.381 2.267 10 0 CEAERO Cc1cccc(CCC(=O)N[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000061883612 175657062 /nfs/dbraw/zinc/65/70/62/175657062.db2.gz XIXZSUZWKOMAOC-LSDHHAIUSA-N 1 0 260.381 2.171 10 0 CEAERO Cn1cc(CC[NH3+])c2ccc(Br)cc21 ZINC000068576878 175811210 /nfs/dbraw/zinc/81/12/10/175811210.db2.gz IOVAUWWOJIDVCV-UHFFFAOYSA-N 1 0 253.143 2.442 10 0 CEAERO O=C([C@H]1CC[NH2+]C1)N1CC[C@H](C2CCCCC2)C1 ZINC000659358055 415538796 /nfs/dbraw/zinc/53/87/96/415538796.db2.gz OKDUIWCGKDPMMI-KBPBESRZSA-N 1 0 250.386 2.025 10 0 CEAERO COc1cccc(N(C)[C@@]2(C[NH3+])CCOC(C)(C)C2)c1 ZINC000070365513 175895226 /nfs/dbraw/zinc/89/52/26/175895226.db2.gz VOCBGWRPTJLPTJ-INIZCTEOSA-N 1 0 278.396 2.418 10 0 CEAERO CCOc1cccc(CC[NH3+])c1O[C@@H](C)COC ZINC000070378046 175899959 /nfs/dbraw/zinc/89/99/59/175899959.db2.gz KEAYZHWVZJIANY-NSHDSACASA-N 1 0 253.342 2.000 10 0 CEAERO Cc1ccc(C[C@@H](O)Cc2c[nH+]ccc2N)cc1C ZINC000070400564 175910636 /nfs/dbraw/zinc/91/06/36/175910636.db2.gz YMPPNMPABUCMJT-OAHLLOKOSA-N 1 0 256.349 2.427 10 0 CEAERO CC(C)[NH+]1CCC(O)(c2cc(Cl)cnc2N)CC1 ZINC000070405241 175912623 /nfs/dbraw/zinc/91/26/23/175912623.db2.gz PZUSGHISJLKWJS-UHFFFAOYSA-N 1 0 269.776 2.009 10 0 CEAERO C[C@@H]1CCCCCN1S(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000070410660 175914158 /nfs/dbraw/zinc/91/41/58/175914158.db2.gz KSQWXDGFBADHQU-KGLIPLIRSA-N 1 0 288.457 2.113 10 0 CEAERO CCOC(=O)COC[C@H]([NH3+])c1cc(CC)ccc1CC ZINC000070441025 175934580 /nfs/dbraw/zinc/93/45/80/175934580.db2.gz FEUZKUQGECUDDJ-HNNXBMFYSA-N 1 0 279.380 2.391 10 0 CEAERO CCc1cc(N2CC[C@H]([NH3+])C2)nc(-c2cccc(F)c2)n1 ZINC000070455809 175940313 /nfs/dbraw/zinc/94/03/13/175940313.db2.gz BVQRSDHJKGCYPB-ZDUSSCGKSA-N 1 0 286.354 2.383 10 0 CEAERO C[C@H]([NH3+])[C@H](c1cccnc1)n1cc(C(F)(F)F)cn1 ZINC000070465799 175945719 /nfs/dbraw/zinc/94/57/19/175945719.db2.gz HQIBGVCODHKUMT-GZMMTYOYSA-N 1 0 270.258 2.234 10 0 CEAERO Cc1cc([C@H](C)N2C[C@@H](C[NH3+])CC2=O)c(C)s1 ZINC000070493323 175955811 /nfs/dbraw/zinc/95/58/11/175955811.db2.gz SINOOANXDDGZNA-GXSJLCMTSA-N 1 0 252.383 2.233 10 0 CEAERO C[C@@H](c1ccc(Cl)cc1)N1C[C@@H](C[NH3+])CC1=O ZINC000070493328 175956017 /nfs/dbraw/zinc/95/60/17/175956017.db2.gz CKDKFUFKBDHPMJ-VHSXEESVSA-N 1 0 252.745 2.208 10 0 CEAERO [NH3+]Cc1ccc(OC[C@@H]2CCCO2)c(Br)c1 ZINC000070503579 175958502 /nfs/dbraw/zinc/95/85/02/175958502.db2.gz XVVNVCKMIYOUAA-JTQLQIEISA-N 1 0 286.169 2.466 10 0 CEAERO CC[C@]1(c2ccc(Br)cc2)C[C@@]1(C[NH3+])CO ZINC000070500821 175958579 /nfs/dbraw/zinc/95/85/79/175958579.db2.gz MZOVHJVOOPKKPJ-CHWSQXEVSA-N 1 0 284.197 2.438 10 0 CEAERO COCc1cccc(OCC[C@](C)(CO)[NH2+]C(C)C)c1 ZINC000070516558 175965352 /nfs/dbraw/zinc/96/53/52/175965352.db2.gz VQTWHYJHJZILOM-MRXNPFEDSA-N 1 0 281.396 2.351 10 0 CEAERO CCC[NH2+][C@@](C)(CO)C[C@@H](C)Oc1ccccc1CO ZINC000070516396 175965597 /nfs/dbraw/zinc/96/55/97/175965597.db2.gz LUBLUJZHPRVPTK-CZUORRHYSA-N 1 0 281.396 2.087 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)CCCOc1cccc(CO)c1 ZINC000070516861 175965656 /nfs/dbraw/zinc/96/56/56/175965656.db2.gz LWZQPRYXUUAVQZ-INIZCTEOSA-N 1 0 281.396 2.087 10 0 CEAERO C[C@]([NH3+])(CO)CCCCOc1cccc2cccnc21 ZINC000070517825 175966136 /nfs/dbraw/zinc/96/61/36/175966136.db2.gz QCBFQBUPWKNXDJ-MRXNPFEDSA-N 1 0 274.364 2.494 10 0 CEAERO [NH3+]C[C@@H]1CCO[C@@H]1c1cccc(Br)c1 ZINC000070674045 176000495 /nfs/dbraw/zinc/00/04/95/176000495.db2.gz ZNOXAMMANSEHGY-GXSJLCMTSA-N 1 0 256.143 2.485 10 0 CEAERO CC[NH2+]CC[C@@H](C)n1cc(I)cn1 ZINC000070678967 176001182 /nfs/dbraw/zinc/00/11/82/176001182.db2.gz HNUDZLFSGKNRRV-MRVPVSSYSA-N 1 0 293.152 2.048 10 0 CEAERO [NH3+]Cc1csc(N2CCc3sccc3C2)n1 ZINC000070681788 176001341 /nfs/dbraw/zinc/00/13/41/176001341.db2.gz ZDWBJAIGJMPRCT-UHFFFAOYSA-N 1 0 251.380 2.226 10 0 CEAERO CCN(CC(F)(F)F)c1nc(C[NH2+]C)cs1 ZINC000070682256 176001648 /nfs/dbraw/zinc/00/16/48/176001648.db2.gz QFQKTRHWVSWSSA-UHFFFAOYSA-N 1 0 253.293 2.251 10 0 CEAERO CC[C@@](C)(C[NH3+])Nc1ncccc1Br ZINC000070894882 176010707 /nfs/dbraw/zinc/01/07/07/176010707.db2.gz KFGBCMQOJGOYAO-JTQLQIEISA-N 1 0 258.163 2.383 10 0 CEAERO CC[C@@]1(C)C[C@@H]([NH2+][C@@H]2CN3CCC2CC3)CCO1 ZINC000070988091 176018726 /nfs/dbraw/zinc/01/87/26/176018726.db2.gz HKRQUDITXLDAAI-ZNMIVQPWSA-N 1 0 252.402 2.018 10 0 CEAERO Cc1cccc([C@H]2[C@H]([NH3+])CCC(=O)N2C2CC2)c1C ZINC000070987518 176018785 /nfs/dbraw/zinc/01/87/85/176018785.db2.gz PVLULRGCAKAZKF-ZBFHGGJFSA-N 1 0 258.365 2.457 10 0 CEAERO CCC[NH2+][C@H]1CCCN(c2ccsc2C(=O)OC)C1=O ZINC000071032490 176023398 /nfs/dbraw/zinc/02/33/98/176023398.db2.gz WRBVTHWUKDVJJU-JTQLQIEISA-N 1 0 296.392 2.030 10 0 CEAERO COC(=O)c1sccc1N1CCC[C@H]([NH2+]C(C)C)C1=O ZINC000071032500 176023420 /nfs/dbraw/zinc/02/34/20/176023420.db2.gz PPRFSYDRXSXVOK-JTQLQIEISA-N 1 0 296.392 2.028 10 0 CEAERO CC(C)[NH2+][C@H]1CCCN(Cc2ccc(F)cc2)C1=O ZINC000071033389 176023825 /nfs/dbraw/zinc/02/38/25/176023825.db2.gz GYLWAQDEDWCXEW-AWEZNQCLSA-N 1 0 264.344 2.315 10 0 CEAERO Cc1cc(F)ccc1N1CC[C@H]([NH2+]C(C)C)C1=O ZINC000071032801 176023832 /nfs/dbraw/zinc/02/38/32/176023832.db2.gz IIKIXORTNKYNNR-LBPRGKRZSA-N 1 0 250.317 2.237 10 0 CEAERO CC(C)c1csc(N2CC[C@@H]([NH2+]C3CC3)C2=O)n1 ZINC000071033785 176024142 /nfs/dbraw/zinc/02/41/42/176024142.db2.gz SUDJVFCUYVWCNB-SNVBAGLBSA-N 1 0 265.382 2.124 10 0 CEAERO CC[NH2+][C@@H]1CCCN([C@@H](C)c2cccc(F)c2)C1=O ZINC000071034941 176024763 /nfs/dbraw/zinc/02/47/63/176024763.db2.gz LFFWCPXTVOQUQN-SMDDNHRTSA-N 1 0 264.344 2.487 10 0 CEAERO C[C@@H](Cc1ccsc1)N1CC[C@@H]([NH2+]C2CC2)C1=O ZINC000071035410 176025243 /nfs/dbraw/zinc/02/52/43/176025243.db2.gz XZCPCOYCSGJWLA-GXFFZTMASA-N 1 0 264.394 2.032 10 0 CEAERO C[C@@H](Cc1ccsc1)N1CCC[C@@H]([NH2+]C2CC2)C1=O ZINC000071035437 176025630 /nfs/dbraw/zinc/02/56/30/176025630.db2.gz GGARVPJNALLYHV-SMDDNHRTSA-N 1 0 278.421 2.422 10 0 CEAERO Cc1nc(C)c([C@H](C)N2CC[C@H]([NH2+]C3CC3)C2=O)s1 ZINC000071036206 176025692 /nfs/dbraw/zinc/02/56/92/176025692.db2.gz AMPXISVETHWMSC-CABZTGNLSA-N 1 0 279.409 2.174 10 0 CEAERO CCC1CCC(CN2CCC[C@@H]([NH2+]C)C2=O)CC1 ZINC000071036841 176025777 /nfs/dbraw/zinc/02/57/77/176025777.db2.gz YVOJGZYTVKIWJR-JXQTWKCFSA-N 1 0 252.402 2.413 10 0 CEAERO CCC[NH2+][C@@H]1CCCN(C(C2CC2)C2CC2)C1=O ZINC000071037219 176026166 /nfs/dbraw/zinc/02/61/66/176026166.db2.gz ACVWOACRRRAYJV-CYBMUJFWSA-N 1 0 250.386 2.166 10 0 CEAERO COc1ccc(N2CC[C@@H]([NH2+]C3CC3)C2=O)cc1Cl ZINC000071038112 176026507 /nfs/dbraw/zinc/02/65/07/176026507.db2.gz NTIKDXNRBOZBGQ-GFCCVEGCSA-N 1 0 280.755 2.206 10 0 CEAERO CCC[NH2+][C@@H]1CCCN(CCc2ccccc2F)C1=O ZINC000071038342 176027072 /nfs/dbraw/zinc/02/70/72/176027072.db2.gz XULSPLALQIGMRJ-OAHLLOKOSA-N 1 0 278.371 2.359 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCN1[C@H]1CCCc2sccc21 ZINC000071042755 176028957 /nfs/dbraw/zinc/02/89/57/176028957.db2.gz UMCPAFFPJLSWNM-STQMWFEESA-N 1 0 276.405 2.478 10 0 CEAERO CC[C@@H]1CCC[C@](C[NH3+])(N2CCOC(C)(C)C2)C1 ZINC000071123452 176035050 /nfs/dbraw/zinc/03/50/50/176035050.db2.gz KMTLUNOVMSXAMQ-HIFRSBDPSA-N 1 0 254.418 2.395 10 0 CEAERO CC[C@H]1CCC[C@H](OC[C@]([NH2+]C2CC2)(C(N)=O)C2CC2)C1 ZINC000071134041 176035915 /nfs/dbraw/zinc/03/59/15/176035915.db2.gz UZLDSQUEGUTOCY-YLQAJVPDSA-N 1 0 294.439 2.358 10 0 CEAERO CC[C@H]1CCC[C@H](O[C@@H](C[NH3+])c2cnn(C)c2)C1 ZINC000071130591 176035928 /nfs/dbraw/zinc/03/59/28/176035928.db2.gz AWTVCQRTOQJJIB-UBHSHLNASA-N 1 0 251.374 2.405 10 0 CEAERO CC[C@@H]1CCCC[C@]1(CN)[N@H+](C)C1CCOCC1 ZINC000071161685 176046275 /nfs/dbraw/zinc/04/62/75/176046275.db2.gz FGZNLRHKZCDTSK-UKRRQHHQSA-N 1 0 254.418 2.395 10 0 CEAERO COc1ccc(C[C@@](C)([NH2+]C2CCCC2)C(N)=O)cc1 ZINC000071169669 176050398 /nfs/dbraw/zinc/05/03/98/176050398.db2.gz NAFKDWQWGUHOON-MRXNPFEDSA-N 1 0 276.380 2.014 10 0 CEAERO COc1ccc(C[C@](C)([NH2+]C2CCCCC2)C(N)=O)cc1 ZINC000071169676 176050644 /nfs/dbraw/zinc/05/06/44/176050644.db2.gz ROCZWUTXYDSPPR-KRWDZBQOSA-N 1 0 290.407 2.404 10 0 CEAERO CCCN(c1cncc(OC(C)C)n1)[C@@H]1CCC[NH2+]C1 ZINC000071176294 176054936 /nfs/dbraw/zinc/05/49/36/176054936.db2.gz GOVNLTDHHYPRDD-CYBMUJFWSA-N 1 0 278.400 2.232 10 0 CEAERO CCC[NH2+]C[C@@H]1CCCN1c1cncc(OC(C)C)n1 ZINC000071176811 176055242 /nfs/dbraw/zinc/05/52/42/176055242.db2.gz MJEYKZVJWMMFRI-ZDUSSCGKSA-N 1 0 278.400 2.232 10 0 CEAERO CC[NH2+][C@H](C)c1cc(C)ccc1O[C@@H]1CCN(C)C1=O ZINC000071182993 176058170 /nfs/dbraw/zinc/05/81/70/176058170.db2.gz DRFATIAQKVQTHL-IUODEOHRSA-N 1 0 276.380 2.275 10 0 CEAERO CC[NH2+][C@@H](CC)c1ccccc1O[C@H]1CCN(C)C1=O ZINC000071182886 176058254 /nfs/dbraw/zinc/05/82/54/176058254.db2.gz MLHWRPQFZLKXQX-ZFWWWQNUSA-N 1 0 276.380 2.357 10 0 CEAERO Cc1ccc(O[C@@H]2CCN(C)C2=O)c(C[NH2+]C(C)(C)C)c1 ZINC000071183244 176058396 /nfs/dbraw/zinc/05/83/96/176058396.db2.gz GBNRHWPSYMZCOG-OAHLLOKOSA-N 1 0 290.407 2.493 10 0 CEAERO CC(C)[NH2+]Cc1ccc(O[C@H]2CCN(C)C2=O)c(Cl)c1 ZINC000071183067 176058732 /nfs/dbraw/zinc/05/87/32/176058732.db2.gz RTNHOXNXJKSKCZ-AWEZNQCLSA-N 1 0 296.798 2.448 10 0 CEAERO CN(C[C@H]1CC[N@H+](C)C1)c1nc2ccccc2cc1C=O ZINC000071189471 176064397 /nfs/dbraw/zinc/06/43/97/176064397.db2.gz AHOYIVIYPVICLR-ZDUSSCGKSA-N 1 0 283.375 2.435 10 0 CEAERO CC[NH2+][C@@H]1CCCN(Cc2ccc(OC)c(OC)c2)C1 ZINC000071199112 176077225 /nfs/dbraw/zinc/07/72/25/176077225.db2.gz MRNAJIJTUHSSAL-CQSZACIVSA-N 1 0 278.396 2.278 10 0 CEAERO CCC[NH2+][C@@H]1CCCN(C[C@@H]2Cc3ccccc3O2)C1 ZINC000071199360 176077360 /nfs/dbraw/zinc/07/73/60/176077360.db2.gz OGQLXUACDDKHJK-CVEARBPZSA-N 1 0 274.408 2.454 10 0 CEAERO Cc1csc(CN2CCC[C@@H]([NH2+]C3CC3)C2)n1 ZINC000071200861 176077946 /nfs/dbraw/zinc/07/79/46/176077946.db2.gz JXQJMQUZTPAGNI-GFCCVEGCSA-N 1 0 251.399 2.168 10 0 CEAERO CCOC(=O)c1ncsc1NCCC[NH+](CC)CC ZINC000071201757 176078371 /nfs/dbraw/zinc/07/83/71/176078371.db2.gz GXSVSGZAYXTKSW-UHFFFAOYSA-N 1 0 285.413 2.464 10 0 CEAERO COc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCC[C@@H]2C)cc1 ZINC000071207701 176080955 /nfs/dbraw/zinc/08/09/55/176080955.db2.gz CWIDXEGVMWZSQK-XEZPLFJOSA-N 1 0 279.380 2.213 10 0 CEAERO CC(C)(C)[NH2+]CCn1cc(C(F)(F)F)ccc1=O ZINC000071211984 176083793 /nfs/dbraw/zinc/08/37/93/176083793.db2.gz AXYMDIBPYLTJJW-UHFFFAOYSA-N 1 0 262.275 2.255 10 0 CEAERO O=c1ccc(C(F)(F)F)cn1CCC[C@H]1CCC[NH2+]1 ZINC000071212035 176083833 /nfs/dbraw/zinc/08/38/33/176083833.db2.gz UEWKOLPMFJXAMV-LLVKDONJSA-N 1 0 274.286 2.399 10 0 CEAERO CC(C)C[NH2+]Cc1nnnn1[C@H](C)Cc1cccs1 ZINC000071271976 176104761 /nfs/dbraw/zinc/10/47/61/176104761.db2.gz CUVHSZUSQSEAIH-LLVKDONJSA-N 1 0 279.413 2.284 10 0 CEAERO CC(C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2NCc1nccn1C ZINC000071273427 176105050 /nfs/dbraw/zinc/10/50/50/176105050.db2.gz KAMSARUIZHRWAP-MZBDJJRSSA-N 1 0 276.428 2.019 10 0 CEAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H](O)C1CC1 ZINC000071277799 176107795 /nfs/dbraw/zinc/10/77/95/176107795.db2.gz RYGKOKVWBDRUJG-HOTGVXAUSA-N 1 0 261.365 2.433 10 0 CEAERO CC(C)Cc1ccc([C@H](O)C[NH2+]C[C@@H](O)C2CC2)cc1 ZINC000071306051 176115487 /nfs/dbraw/zinc/11/54/87/176115487.db2.gz NCCMRCIRWGPHCN-IAGOWNOFSA-N 1 0 277.408 2.279 10 0 CEAERO COc1ccc([C@H]2C[NH2+]C[C@@H](C3CC3)O2)c(OC)c1 ZINC000071308556 176116470 /nfs/dbraw/zinc/11/64/70/176116470.db2.gz NWHYVGUTITVLGR-LSDHHAIUSA-N 1 0 263.337 2.143 10 0 CEAERO CCn1cc(CN(C)[C@H]2CC[NH2+]C2)c2ccccc21 ZINC000071309802 176116821 /nfs/dbraw/zinc/11/68/21/176116821.db2.gz SVJNNIFVBHRIAR-AWEZNQCLSA-N 1 0 257.381 2.455 10 0 CEAERO CCN([C@@H](C)c1ccc(O)c(OC)c1)[C@@H]1CC[NH2+]C1 ZINC000071311937 176118740 /nfs/dbraw/zinc/11/87/40/176118740.db2.gz FTBIFDZHOOXMDE-WCQYABFASA-N 1 0 264.369 2.146 10 0 CEAERO CCN(Cc1nnc(-c2cc(C)oc2C)o1)[C@H]1CC[NH2+]C1 ZINC000071313297 176119718 /nfs/dbraw/zinc/11/97/18/176119718.db2.gz XKWBZVFLQYOZQS-LBPRGKRZSA-N 1 0 290.367 2.130 10 0 CEAERO CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccnn1C ZINC000071335321 176127028 /nfs/dbraw/zinc/12/70/28/176127028.db2.gz SBLOEPNZINEVQI-GOOCMWNKSA-N 1 0 276.428 2.305 10 0 CEAERO COc1ccc(NC(=O)NC[C@@H]2[NH2+]CCC[C@@H]2C)cc1 ZINC000071338961 176129335 /nfs/dbraw/zinc/12/93/35/176129335.db2.gz OXSLMSNGPJZLDI-FZMZJTMJSA-N 1 0 277.368 2.205 10 0 CEAERO C[C@H]1CCC[NH2+][C@@H]1CN1C(=O)CC2(CCCCC2)C1=O ZINC000071339249 176129539 /nfs/dbraw/zinc/12/95/39/176129539.db2.gz CZIBEBWAKIEDQC-QWHCGFSZSA-N 1 0 278.396 2.084 10 0 CEAERO Cc1cccnc1C[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000071340133 176129731 /nfs/dbraw/zinc/12/97/31/176129731.db2.gz PHHGGXBYIBVOTD-MRXNPFEDSA-N 1 0 256.349 2.387 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1Cc1ncccn1 ZINC000071346689 176131941 /nfs/dbraw/zinc/13/19/41/176131941.db2.gz NUHLNRLNJRKBBP-ZIAGYGMSSA-N 1 0 276.428 2.465 10 0 CEAERO CC(C)(C)[C@H]1CN(Cc2ncccn2)[C@H](C2CC2)C[NH2+]1 ZINC000071347812 176132965 /nfs/dbraw/zinc/13/29/65/176132965.db2.gz QGRGPWWMOVWMDP-UONOGXRCSA-N 1 0 274.412 2.075 10 0 CEAERO CC(C)C[C@@H]1CN(CCn2cccn2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000071352299 176134824 /nfs/dbraw/zinc/13/48/24/176134824.db2.gz NXDSZIWULITNLS-IAGOWNOFSA-N 1 0 290.455 2.372 10 0 CEAERO C[C@@H]1C[NH2+][C@H](Cc2ccccc2)CN1Cc1ccncc1 ZINC000071352643 176135680 /nfs/dbraw/zinc/13/56/80/176135680.db2.gz PSQJQDCZVUHPKS-CRAIPNDOSA-N 1 0 281.403 2.487 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@H]([C@@H](C)CC)CN1CCn1cccn1 ZINC000071354509 176136503 /nfs/dbraw/zinc/13/65/03/176136503.db2.gz XMRMUCKYYPCSLY-ARFHVFGLSA-N 1 0 278.444 2.372 10 0 CEAERO CC[C@H](C)[C@@H]1CN(Cc2ncccn2)[C@H](C2CC2)C[NH2+]1 ZINC000071355297 176136605 /nfs/dbraw/zinc/13/66/05/176136605.db2.gz HFZVTEMFTSAJFZ-QEJZJMRPSA-N 1 0 274.412 2.075 10 0 CEAERO CCC[C@H]1C[NH2+][C@@H]([C@@H](C)CC)CN1CCn1cccn1 ZINC000071354510 176136915 /nfs/dbraw/zinc/13/69/15/176136915.db2.gz XMRMUCKYYPCSLY-HRCADAONSA-N 1 0 278.444 2.372 10 0 CEAERO Cn1cc(CN2CC3(CCCCC3)[NH2+]C[C@@H]2C2CC2)cn1 ZINC000071359755 176137147 /nfs/dbraw/zinc/13/71/47/176137147.db2.gz GOHAIRQSMYIRPV-MRXNPFEDSA-N 1 0 288.439 2.307 10 0 CEAERO CC[C@]1(C)CN(Cc2ncccn2)[C@H](C(C)(C)C)C[NH2+]1 ZINC000071357396 176137162 /nfs/dbraw/zinc/13/71/62/176137162.db2.gz GUUIQPUDPMISDK-XJKSGUPXSA-N 1 0 276.428 2.465 10 0 CEAERO CC[C@@H]1C[NH2+]C2(CCCCC2)CN1CCOCCOC ZINC000071359434 176137643 /nfs/dbraw/zinc/13/76/43/176137643.db2.gz PMIWORVEIDEWJN-OAHLLOKOSA-N 1 0 284.444 2.036 10 0 CEAERO CC[C@H]1C[NH2+]C2(CCCC2)CN1CCn1ccnc1C ZINC000071358319 176138024 /nfs/dbraw/zinc/13/80/24/176138024.db2.gz BHVZGVJCTDUZJE-HNNXBMFYSA-N 1 0 276.428 2.188 10 0 CEAERO CC(C)[C@@H](CN(C)C)[NH2+]Cc1cnn2ccccc12 ZINC000071373266 176138931 /nfs/dbraw/zinc/13/89/31/176138931.db2.gz FLBUDJPZTLTZPH-CQSZACIVSA-N 1 0 260.385 2.010 10 0 CEAERO CCCn1c(C[NH3+])nnc1SCCOCCC(C)C ZINC000071375580 176140428 /nfs/dbraw/zinc/14/04/28/176140428.db2.gz WAEYAGYOLOSUJO-UHFFFAOYSA-N 1 0 286.445 2.302 10 0 CEAERO CCCn1c(C[NH3+])nnc1SCc1ccco1 ZINC000071375353 176140713 /nfs/dbraw/zinc/14/07/13/176140713.db2.gz LLOKGEOQTSBUDN-UHFFFAOYSA-N 1 0 252.343 2.032 10 0 CEAERO [NH3+]Cc1nnc(SCc2ccccc2)n1C1CC1 ZINC000071375771 176140838 /nfs/dbraw/zinc/14/08/38/176140838.db2.gz INQZOHJGVYBIDN-UHFFFAOYSA-N 1 0 260.366 2.364 10 0 CEAERO C[N@H+](CCN[C@H]1COc2cc(O)ccc21)C1CCCC1 ZINC000071376733 176141522 /nfs/dbraw/zinc/14/15/22/176141522.db2.gz FGRBMKBCYUWTTP-HNNXBMFYSA-N 1 0 276.380 2.290 10 0 CEAERO C[N@H+](CCn1c(N)cc2ccccc2c1=O)C1CCCC1 ZINC000071378995 176143821 /nfs/dbraw/zinc/14/38/21/176143821.db2.gz WITJQRNXWBTKSN-UHFFFAOYSA-N 1 0 285.391 2.458 10 0 CEAERO COCCC[N@H+](CCOC)Cc1cc(C)ccc1N ZINC000071383859 176146843 /nfs/dbraw/zinc/14/68/43/176146843.db2.gz NKYJWWLNJGULOD-UHFFFAOYSA-N 1 0 266.385 2.062 10 0 CEAERO C[C@@H]1CCN(c2nc3ccccc3cc2C(N)=[NH2+])C1 ZINC000071390109 176148526 /nfs/dbraw/zinc/14/85/26/176148526.db2.gz DGRHNBYMUJYBID-SNVBAGLBSA-N 1 0 254.337 2.365 10 0 CEAERO [NH3+]Cc1ccc(OCCCCO)c(C(F)(F)F)c1 ZINC000071398290 176151772 /nfs/dbraw/zinc/15/17/72/176151772.db2.gz DLMFVUZUMSWDAG-UHFFFAOYSA-N 1 0 263.259 2.315 10 0 CEAERO CC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(C)cc1C[NH3+] ZINC000071403373 176154955 /nfs/dbraw/zinc/15/49/55/176154955.db2.gz SNDDMPUXBSGOTH-NWDGAFQWSA-N 1 0 264.369 2.136 10 0 CEAERO CCC[NH2+]Cc1cc(C)ccc1O[C@H](CC)C(N)=O ZINC000071406262 176155810 /nfs/dbraw/zinc/15/58/10/176155810.db2.gz BIGJSUSINCESJD-CYBMUJFWSA-N 1 0 264.369 2.137 10 0 CEAERO CC[NH2+]Cc1cc(C)ccc1O[C@@H](C)C(=O)N1CCCC1 ZINC000071406044 176155840 /nfs/dbraw/zinc/15/58/40/176155840.db2.gz MZPXIBATWKSJKW-AWEZNQCLSA-N 1 0 290.407 2.494 10 0 CEAERO CCCNC(=O)[C@@H](C)Oc1ccc(C)cc1C[NH2+]CC ZINC000071406048 176156008 /nfs/dbraw/zinc/15/60/08/176156008.db2.gz XMUIXYSZHGDHFT-CYBMUJFWSA-N 1 0 278.396 2.398 10 0 CEAERO COCC[NH2+]Cc1cc(C)ccc1O[C@@H]1CCCC[C@@H]1O ZINC000071407505 176156121 /nfs/dbraw/zinc/15/61/21/176156121.db2.gz FNDWGLZCYRVSGK-DOTOQJQBSA-N 1 0 293.407 2.413 10 0 CEAERO Cc1ccc(O[C@@H]2CCCCNC2=O)c(C[NH2+]C2CC2)c1 ZINC000071407036 176156175 /nfs/dbraw/zinc/15/61/75/176156175.db2.gz OXJMFGTXMYSEJH-MRXNPFEDSA-N 1 0 288.391 2.295 10 0 CEAERO Cc1ccc(OCC(=O)N(C)C)c(C[NH2+]C(C)(C)C)c1 ZINC000071407194 176156178 /nfs/dbraw/zinc/15/61/78/176156178.db2.gz KHNQQVGJBUNJPC-UHFFFAOYSA-N 1 0 278.396 2.350 10 0 CEAERO Cc1ccc(O[C@H](C)C(=O)NCC(C)C)c(C[C@@H](C)[NH3+])c1 ZINC000071411693 176156994 /nfs/dbraw/zinc/15/69/94/176156994.db2.gz ZGBCUOLGOIKELE-ZIAGYGMSSA-N 1 0 292.423 2.424 10 0 CEAERO Cc1noc(COc2ccc(C)cc2C[C@@H](C)[NH3+])n1 ZINC000071411651 176157080 /nfs/dbraw/zinc/15/70/80/176157080.db2.gz UBQYSFRNIZPYSL-SNVBAGLBSA-N 1 0 261.325 2.155 10 0 CEAERO C[C@@H]1CC[NH2+]C[C@@H]1N1C(=O)CC2(CCCCC2)CC1=O ZINC000071413301 176158502 /nfs/dbraw/zinc/15/85/02/176158502.db2.gz UXNASKAEZQTHCD-OLZOCXBDSA-N 1 0 278.396 2.084 10 0 CEAERO C[C@H]1CC[NH2+]C[C@H]1N1C(=O)CC2(CCCCC2)CC1=O ZINC000071413304 176158517 /nfs/dbraw/zinc/15/85/17/176158517.db2.gz UXNASKAEZQTHCD-QWHCGFSZSA-N 1 0 278.396 2.084 10 0 CEAERO CC[NH+](CC)CCn1cc(-c2ccc(N)cc2)cn1 ZINC000071414978 176160025 /nfs/dbraw/zinc/16/00/25/176160025.db2.gz HKTXZUAMVWLYQM-UHFFFAOYSA-N 1 0 258.369 2.474 10 0 CEAERO COc1ccc([C@H](O)[C@@H](C)[NH2+]C(C)C)c(OC)c1 ZINC000071574776 176201901 /nfs/dbraw/zinc/20/19/01/176201901.db2.gz WPWHCEUDINNTRI-QMTHXVAHSA-N 1 0 253.342 2.124 10 0 CEAERO C[C@@H]([NH3+])CS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000071576822 176204543 /nfs/dbraw/zinc/20/45/43/176204543.db2.gz AGYZGVMBATVCGV-SNVBAGLBSA-N 1 0 255.383 2.105 10 0 CEAERO Brc1cccc([C@H]2C[NH2+]CCOC2)c1 ZINC000071577311 176205362 /nfs/dbraw/zinc/20/53/62/176205362.db2.gz BUROSXCEBJVSBB-JTQLQIEISA-N 1 0 256.143 2.153 10 0 CEAERO CC(C)[C@H]([NH3+])[C@@H](O)c1cccc(Br)c1 ZINC000071583630 176208293 /nfs/dbraw/zinc/20/82/93/176208293.db2.gz IBEKPCMGHQNIBW-QWRGUYRKSA-N 1 0 258.159 2.466 10 0 CEAERO CCOc1cccc(CCCN2CC[NH2+]C[C@@H]2C)c1 ZINC000071589129 176217407 /nfs/dbraw/zinc/21/74/07/176217407.db2.gz ZQADZKZWFREXEZ-AWEZNQCLSA-N 1 0 262.397 2.312 10 0 CEAERO COc1cc([C@H](O)[C@H](C)[NH2+]C2CC2)c(OC)cc1C ZINC000071597819 176221567 /nfs/dbraw/zinc/22/15/67/176221567.db2.gz JMMHIJIFOJNHJN-ZUZCIYMTSA-N 1 0 265.353 2.186 10 0 CEAERO CN(CCc1ccncc1)c1ccc(CC[NH3+])cc1F ZINC000071612897 176233342 /nfs/dbraw/zinc/23/33/42/176233342.db2.gz HMJJTKUJZHNKCF-UHFFFAOYSA-N 1 0 273.355 2.401 10 0 CEAERO O=c1[nH]ncc(N2CCC[C@H](C3CC[NH2+]CC3)C2)c1Cl ZINC000656607651 415782927 /nfs/dbraw/zinc/78/29/27/415782927.db2.gz DKBLJOCHATWIGX-NSHDSACASA-N 1 0 296.802 2.052 10 0 CEAERO C[NH2+][C@H]1CCN(C(=O)OCc2ccccc2)[C@H](C)C1 ZINC000073657069 176484066 /nfs/dbraw/zinc/48/40/66/176484066.db2.gz OULNFTUDKFNUBC-OCCSQVGLSA-N 1 0 262.353 2.396 10 0 CEAERO CC(C)[N@H+](C)C[C@H](O)CN1CCCC[C@H]1c1nccs1 ZINC000656700387 415820830 /nfs/dbraw/zinc/82/08/30/415820830.db2.gz IKNNVLCNKBRKLL-KBPBESRZSA-N 1 0 297.468 2.371 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)[C@H]2C[C@H]([NH3+])C2)cc1F ZINC000662643013 415917300 /nfs/dbraw/zinc/91/73/00/415917300.db2.gz IQYQCIKSCQFSDF-YUSALJHKSA-N 1 0 250.317 2.049 10 0 CEAERO O=C(CC[NH+]1CCCC1)Nc1c(F)cccc1F ZINC000074693725 176600542 /nfs/dbraw/zinc/60/05/42/176600542.db2.gz HHIGMYKYKKUWFM-UHFFFAOYSA-N 1 0 254.280 2.389 10 0 CEAERO C[C@H]1C[C@H]1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000075977974 176855585 /nfs/dbraw/zinc/85/55/85/176855585.db2.gz HNUVTEPSXQHCQP-XJKSGUPXSA-N 1 0 287.407 2.490 10 0 CEAERO COc1cc(C)c(Cl)cc1CCN(C)CC[NH3+] ZINC000076306118 176976958 /nfs/dbraw/zinc/97/69/58/176976958.db2.gz OHXRCCCBCCCBSE-UHFFFAOYSA-N 1 0 256.777 2.090 10 0 CEAERO CCOc1ccc(N2C[C@H](CC[NH2+]C)OC2=O)cc1 ZINC000076367593 177005169 /nfs/dbraw/zinc/00/51/69/177005169.db2.gz JXXXMZOXCRMGPO-ZDUSSCGKSA-N 1 0 264.325 2.020 10 0 CEAERO C[NH2+]CC[C@@H](O)CN(C)c1c(C)cc(C)cc1Cl ZINC000076409101 177020211 /nfs/dbraw/zinc/02/02/11/177020211.db2.gz KBHHEDCJZQXYMC-GFCCVEGCSA-N 1 0 270.804 2.363 10 0 CEAERO COc1ccc(N(CCC(C)C)C(=O)C[NH3+])cc1 ZINC000076654901 177044890 /nfs/dbraw/zinc/04/48/90/177044890.db2.gz VIUIFRQMQIWTGJ-UHFFFAOYSA-N 1 0 250.342 2.033 10 0 CEAERO CCN(CC)C(=O)[C@@H](CC[NH3+])c1cccc(F)c1 ZINC000076656595 177045963 /nfs/dbraw/zinc/04/59/63/177045963.db2.gz XPBUYPJJSLPCKA-ZDUSSCGKSA-N 1 0 252.333 2.127 10 0 CEAERO Cc1ccc(CN(CC[NH3+])Cc2ccccn2)cc1 ZINC000076660895 177048725 /nfs/dbraw/zinc/04/87/25/177048725.db2.gz BSWZATTXYKWFLW-UHFFFAOYSA-N 1 0 255.365 2.351 10 0 CEAERO c1ccc(C[N@@H+]2CC[C@H](Nc3cncnc3)C2)cc1 ZINC000076695191 177059874 /nfs/dbraw/zinc/05/98/74/177059874.db2.gz YAMLEEFAXDCNAA-AWEZNQCLSA-N 1 0 254.337 2.163 10 0 CEAERO CNC(=O)[C@@H](CC(C)C)[NH2+]Cc1ccc2ccccc2n1 ZINC000077490298 177274604 /nfs/dbraw/zinc/27/46/04/177274604.db2.gz FYYHXJIEDQRTST-MRXNPFEDSA-N 1 0 285.391 2.485 10 0 CEAERO CCN(C(=O)CN1[C@@H](C[NH3+])CCC[C@@H]1C)C1CCCCC1 ZINC000078492966 177346595 /nfs/dbraw/zinc/34/65/95/177346595.db2.gz RJMKZMCQEYSSGQ-GOEBONIOSA-N 1 0 295.471 2.369 10 0 CEAERO CC(C)[C@H](CNC(=O)c1ccc(N)c(Cl)c1)[NH+](C)C ZINC000078891225 177401933 /nfs/dbraw/zinc/40/19/33/177401933.db2.gz RZRIJPZBMYVWLN-ZDUSSCGKSA-N 1 0 283.803 2.238 10 0 CEAERO O=C(OCc1ccccc1)N1CC[C@@H]2C[NH2+]CC[C@H]21 ZINC000079034808 177418914 /nfs/dbraw/zinc/41/89/14/177418914.db2.gz GIRZMPWEZFDLNO-ZIAGYGMSSA-N 1 0 260.337 2.007 10 0 CEAERO Cc1ccc2n1CCN(C(=O)CC[C@@H](C)CC[NH3+])[C@@H]2C ZINC000079118191 177436472 /nfs/dbraw/zinc/43/64/72/177436472.db2.gz GXMIIGYZTZSLBY-TZMCWYRMSA-N 1 0 277.412 2.465 10 0 CEAERO C[C@H](CC[NH3+])CCC(=O)N(C)Cc1cccc(O)c1 ZINC000079118800 177436920 /nfs/dbraw/zinc/43/69/20/177436920.db2.gz BLWFLJSOYNEGNP-LBPRGKRZSA-N 1 0 264.369 2.116 10 0 CEAERO CC[C@@H](CC[NH3+])CCc1nc(CC(F)(F)F)no1 ZINC000079200486 177444126 /nfs/dbraw/zinc/44/41/26/177444126.db2.gz DFQWQCLWYYBFTP-MRVPVSSYSA-N 1 0 265.279 2.482 10 0 CEAERO COCc1noc(CC[C@H](CC[NH3+])C(C)(C)C)n1 ZINC000079285146 177463454 /nfs/dbraw/zinc/46/34/54/177463454.db2.gz OAOPOJAICUAQFC-SNVBAGLBSA-N 1 0 255.362 2.160 10 0 CEAERO Cc1cc(N(C)C)ccc1NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+] ZINC000079526415 177516162 /nfs/dbraw/zinc/51/61/62/177516162.db2.gz XGTUYLQXRSQWRF-KNPMLCFXSA-N 1 0 287.407 2.373 10 0 CEAERO C[C@H](NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+])C1CCCC1 ZINC000079536547 177517331 /nfs/dbraw/zinc/51/73/31/177517331.db2.gz IOUGTPXMHATRMB-SWTDPAGASA-N 1 0 250.386 2.055 10 0 CEAERO COC1CC[NH+](C[C@@H]2CC(C)(C)CCC2=O)CC1 ZINC000079661419 177532811 /nfs/dbraw/zinc/53/28/11/177532811.db2.gz LGBKSMRNETWYFF-LBPRGKRZSA-N 1 0 253.386 2.493 10 0 CEAERO CCC[C@@H](COC)NC(=O)CC[C@@H](CC)CC[NH3+] ZINC000079748865 177551603 /nfs/dbraw/zinc/55/16/03/177551603.db2.gz YIFZNMVOAJWWDH-OLZOCXBDSA-N 1 0 258.406 2.073 10 0 CEAERO CC(C)[NH2+]Cc1cc(=O)[nH]c(C2(c3ccccc3)CC2)n1 ZINC000079940234 177584778 /nfs/dbraw/zinc/58/47/78/177584778.db2.gz KNRJSNMDMMUZJR-UHFFFAOYSA-N 1 0 283.375 2.348 10 0 CEAERO CC(C)C[NH2+]Cc1cc(=O)[nH]c(CCc2ccccc2)n1 ZINC000079941162 177586138 /nfs/dbraw/zinc/58/61/38/177586138.db2.gz VHMHKFGFHHDTSW-UHFFFAOYSA-N 1 0 285.391 2.301 10 0 CEAERO Cc1c(Cl)cnn1CCOc1ccc(C[NH3+])cc1 ZINC000080009946 177594546 /nfs/dbraw/zinc/59/45/46/177594546.db2.gz ZFMQLSUQFKTGKZ-UHFFFAOYSA-N 1 0 265.744 2.383 10 0 CEAERO Cc1nn(CCOc2ccc(CC[NH3+])cc2)cc1Cl ZINC000080009916 177594745 /nfs/dbraw/zinc/59/47/45/177594745.db2.gz CMVISXKUSVGGJU-UHFFFAOYSA-N 1 0 279.771 2.425 10 0 CEAERO COCCCn1ccc2ccc(C[NH2+]CCOC)cc21 ZINC000080082043 177605039 /nfs/dbraw/zinc/60/50/39/177605039.db2.gz DTJQLBHEPLEICA-UHFFFAOYSA-N 1 0 276.380 2.414 10 0 CEAERO CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1[NH2+]CCC(=O)NC1CC1 ZINC000080148686 177614629 /nfs/dbraw/zinc/61/46/29/177614629.db2.gz OEADYBYQLAWEES-SGIREYDYSA-N 1 0 264.413 2.460 10 0 CEAERO [NH3+]Cc1ccc(NC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000080157154 177615867 /nfs/dbraw/zinc/61/58/67/177615867.db2.gz WJGOOQFZUZKKIO-OUCADQQQSA-N 1 0 259.353 2.455 10 0 CEAERO C[C@@H]([NH3+])c1ccccc1NS(=O)(=O)CC(C)(C)C ZINC000080189137 177622223 /nfs/dbraw/zinc/62/22/23/177622223.db2.gz YTOHDBQYFKLLGJ-SNVBAGLBSA-N 1 0 270.398 2.494 10 0 CEAERO O=C(CC[C@H]1CCC[NH2+]1)N1CCC2(CC2(F)F)CC1 ZINC000405103841 419402100 /nfs/dbraw/zinc/40/21/00/419402100.db2.gz JJRFBOCKEJAFMJ-LLVKDONJSA-N 1 0 272.339 2.166 10 0 CEAERO Cc1cc(C)c(O)c(NC(=O)[C@@]2(C)CCCC[NH2+]2)c1 ZINC000133563250 419430776 /nfs/dbraw/zinc/43/07/76/419430776.db2.gz JUIFWQLIAJNSLL-OAHLLOKOSA-N 1 0 262.353 2.480 10 0 CEAERO COCCOc1ccc(NC(=O)C[C@H]([NH3+])C(C)C)cc1 ZINC000136361675 419444384 /nfs/dbraw/zinc/44/43/84/419444384.db2.gz GSSXFYVGRKBKOE-AWEZNQCLSA-N 1 0 280.368 2.024 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)NCCc1ccc(Cl)cc1 ZINC000136434439 419447418 /nfs/dbraw/zinc/44/74/18/419447418.db2.gz SHXUMFCHWZGALQ-CYBMUJFWSA-N 1 0 268.788 2.372 10 0 CEAERO CC(C)C1(C[NH2+]C[C@@H](O)COCc2ccco2)CC1 ZINC000232669219 270314297 /nfs/dbraw/zinc/31/42/97/270314297.db2.gz AKTVKLYWDUNYAC-CYBMUJFWSA-N 1 0 267.369 2.183 10 0 CEAERO CCOc1ccccc1[C@@H](C)[NH2+]CCn1cncn1 ZINC000268857894 270330743 /nfs/dbraw/zinc/33/07/43/270330743.db2.gz UYCZRDUMBSQIID-GFCCVEGCSA-N 1 0 260.341 2.028 10 0 CEAERO CCN(CCC[NH+](CC)CC)C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000190128193 270267034 /nfs/dbraw/zinc/26/70/34/270267034.db2.gz QLWZEWRKFUWDHD-CABCVRRESA-N 1 0 299.459 2.317 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)CCOCc2ccccc2)C1 ZINC000193687596 270288179 /nfs/dbraw/zinc/28/81/79/270288179.db2.gz RKHLEUKZROWBHW-INIZCTEOSA-N 1 0 290.407 2.194 10 0 CEAERO CCCN(CC1CC1)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000194173314 270293198 /nfs/dbraw/zinc/29/31/98/270293198.db2.gz VLMHFNKEOJHMNZ-AWEZNQCLSA-N 1 0 267.417 2.302 10 0 CEAERO C[C@H]([NH2+]C[C@H](O)C1CCC1)c1nc2ccccc2n1C ZINC000316693673 270334675 /nfs/dbraw/zinc/33/46/75/270334675.db2.gz DIVYYUJHSHCRKZ-NHYWBVRUSA-N 1 0 273.380 2.385 10 0 CEAERO CC[C@H](C[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O)OC ZINC000397063616 270351160 /nfs/dbraw/zinc/35/11/60/270351160.db2.gz RYJZPQBZEKKCTD-BARDWOONSA-N 1 0 255.402 2.427 10 0 CEAERO CC[C@@](C)(O)C[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC000435908549 271642276 /nfs/dbraw/zinc/64/22/76/271642276.db2.gz PFBVLEFHYYWBGK-IEODJVTJSA-N 1 0 288.435 2.478 10 0 CEAERO CC1(C)[C@H]([NH2+][C@@H]2Cc3ccccc3[C@@H]2O)[C@H]2CCCO[C@@H]21 ZINC000181759013 273593669 /nfs/dbraw/zinc/59/36/69/273593669.db2.gz PWJSDTUIIIVFTN-UUAJXVIYSA-N 1 0 287.403 2.438 10 0 CEAERO C[C@@H]1CCN(c2ncnc3sccc32)C[C@H]1C[NH3+] ZINC000253197841 274304950 /nfs/dbraw/zinc/30/49/50/274304950.db2.gz VHYQJLNDUGMFKS-NXEZZACHSA-N 1 0 262.382 2.112 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1O ZINC000166472239 274378199 /nfs/dbraw/zinc/37/81/99/274378199.db2.gz RRMLXHFNZNWCOX-VXNVDRBHSA-N 1 0 288.269 2.205 10 0 CEAERO C[C@H]1CCN(c2ncnc3ccsc32)C[C@H]1C[NH3+] ZINC000253201706 274563986 /nfs/dbraw/zinc/56/39/86/274563986.db2.gz YFCGIUUATGAIPG-VHSXEESVSA-N 1 0 262.382 2.112 10 0 CEAERO Cc1nc(N2CCC[C@H](C[NH3+])C2)ccc1Br ZINC000235930944 274840990 /nfs/dbraw/zinc/84/09/90/274840990.db2.gz UPJPZPGUFUVPCT-SNVBAGLBSA-N 1 0 284.201 2.328 10 0 CEAERO Cc1nc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1Br ZINC000261549829 274842049 /nfs/dbraw/zinc/84/20/49/274842049.db2.gz KSMKDGJPYWMNCJ-PWSUYJOCSA-N 1 0 296.212 2.341 10 0 CEAERO Brc1ccc(N[C@H]2CCC[NH2+]C2)nc1 ZINC000070950574 275369780 /nfs/dbraw/zinc/36/97/80/275369780.db2.gz JIORUUCSYTUVCU-VIFPVBQESA-N 1 0 256.147 2.008 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C[C@H](O)c1ccc(F)cc1 ZINC000106379273 276169714 /nfs/dbraw/zinc/16/97/14/276169714.db2.gz JBKZQXICHYUHQS-CVEARBPZSA-N 1 0 280.387 2.275 10 0 CEAERO CCC(=O)CCC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000232871543 276200391 /nfs/dbraw/zinc/20/03/91/276200391.db2.gz DGCVMRHFXLZOKB-UKRRQHHQSA-N 1 0 253.386 2.373 10 0 CEAERO CCCc1ccc([C@@H](NC(=O)[C@@H]([NH3+])COC)C(C)C)cc1 ZINC000262163607 276295793 /nfs/dbraw/zinc/29/57/93/276295793.db2.gz ADJOSPXTWVWAJN-HOTGVXAUSA-N 1 0 292.423 2.426 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+][C@@H]2CCCC[C@H]2C2CC2)C1 ZINC000263531964 276315381 /nfs/dbraw/zinc/31/53/81/276315381.db2.gz WYLFBCNYGDEDSF-SSHXOBKSSA-N 1 0 294.439 2.482 10 0 CEAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)C1CCCC1)CC2 ZINC000180616774 276694986 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COC(=O)[C@H](CC(C)C)[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000351877218 277383337 /nfs/dbraw/zinc/38/33/37/277383337.db2.gz BCIKBAZGCWGILQ-OFQRWUPVSA-N 1 0 283.412 2.201 10 0 CEAERO CS(=O)(=O)c1ccc(NC2=[NH+]CCCCC2)cc1 ZINC000095082314 277503395 /nfs/dbraw/zinc/50/33/95/277503395.db2.gz ONDOUXWKMMKMIO-UHFFFAOYSA-N 1 0 266.366 2.475 10 0 CEAERO C[C@@H](CCCC[NH3+])Nc1ccccc1S(C)(=O)=O ZINC000336787043 277562387 /nfs/dbraw/zinc/56/23/87/277562387.db2.gz DEBJBJJXORAHJN-NSHDSACASA-N 1 0 270.398 2.020 10 0 CEAERO CO[C@H]1CCN(Cc2ccc(F)cc2Cl)[C@@H](C[NH3+])C1 ZINC000226420109 277744365 /nfs/dbraw/zinc/74/43/65/277744365.db2.gz ZEEHTZMZIYWBRP-OLZOCXBDSA-N 1 0 286.778 2.417 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1cc2c(s1)CCCC2 ZINC000261560330 278081553 /nfs/dbraw/zinc/08/15/53/278081553.db2.gz FHGZAJKKSHWIBH-KOLCDFICSA-N 1 0 264.394 2.189 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1cccc2ccccc21 ZINC000261573549 278098882 /nfs/dbraw/zinc/09/88/82/278098882.db2.gz ATWLNMQZUKTRAV-IAQYHMDHSA-N 1 0 254.333 2.402 10 0 CEAERO CSc1nccc(OCC[C@@H]2CCCC[NH2+]2)n1 ZINC000095071876 278180771 /nfs/dbraw/zinc/18/07/71/278180771.db2.gz YVVGJRDIVVPFBE-JTQLQIEISA-N 1 0 253.371 2.110 10 0 CEAERO C[C@@H](C(=O)N1CC[C@@H](C)c2ccccc21)C1C[NH2+]C1 ZINC000261580483 278195727 /nfs/dbraw/zinc/19/57/27/278195727.db2.gz FKDIBXKKSNGVSL-VXGBXAGGSA-N 1 0 258.365 2.382 10 0 CEAERO C[C@@H]1C[C@@H](C[NH3+])CN1c1nc(C(C)(C)C)ns1 ZINC000216212223 278890993 /nfs/dbraw/zinc/89/09/93/278890993.db2.gz KJXAJACXQJUVSS-BDAKNGLRSA-N 1 0 254.403 2.009 10 0 CEAERO CCN(C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C)C(C)C ZINC000246549927 279003570 /nfs/dbraw/zinc/00/35/70/279003570.db2.gz VXTQMFLDVCVPHO-CHWSQXEVSA-N 1 0 255.406 2.155 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1cc(Cl)ccn1 ZINC000335593707 279030666 /nfs/dbraw/zinc/03/06/66/279030666.db2.gz KZTAOJCOYJKZBH-WPRPVWTQSA-N 1 0 253.733 2.062 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC[NH+](CC2CCCCC2)CC1 ZINC000186686906 279060266 /nfs/dbraw/zinc/06/02/66/279060266.db2.gz UFNSSHHBEFLEQO-UHFFFAOYSA-N 1 0 282.428 2.438 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc2ccccc2c1 ZINC000261619404 279086164 /nfs/dbraw/zinc/08/61/64/279086164.db2.gz UOYHNTAVLWVXOU-ABAIWWIYSA-N 1 0 254.333 2.402 10 0 CEAERO C[C@H]1CCN(c2ccc3c(n2)CCCC3=O)C[C@H]1C[NH3+] ZINC000333640124 279728784 /nfs/dbraw/zinc/72/87/84/279728784.db2.gz HZVXDVJXUDUZKA-NWDGAFQWSA-N 1 0 273.380 2.022 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC[C@H]2O)C1(C)C ZINC000252856761 279875475 /nfs/dbraw/zinc/87/54/75/279875475.db2.gz IDTGJOHEAUFGOM-YIYPIFLZSA-N 1 0 255.402 2.473 10 0 CEAERO C[C@H]1CN(c2ccc(Br)cn2)CC[C@H]1[NH3+] ZINC000251879033 279880565 /nfs/dbraw/zinc/88/05/65/279880565.db2.gz UQTYBCDTEVPKCU-WCBMZHEXSA-N 1 0 270.174 2.018 10 0 CEAERO COC(=O)Nc1cccc(NC[C@H]2CCC[NH2+]C2)c1 ZINC000132194036 279972805 /nfs/dbraw/zinc/97/28/05/279972805.db2.gz GUHRPZZWAPMYHH-NSHDSACASA-N 1 0 263.341 2.276 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)C(C)C ZINC000133678011 280003106 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CCC[C@H](CC)NC(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000195394217 280203751 /nfs/dbraw/zinc/20/37/51/280203751.db2.gz IBMFJEKKDKCJQL-QWHCGFSZSA-N 1 0 255.406 2.349 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC1C[C@H](C)O[C@@H](C)C1 ZINC000245753457 280259711 /nfs/dbraw/zinc/25/97/11/280259711.db2.gz ZBNXWOABJXGYJY-KCQAQPDRSA-N 1 0 297.443 2.068 10 0 CEAERO CCOCCN1CCN(Cc2nc(C)c(C)s2)C[C@H]1C ZINC000246206025 280280255 /nfs/dbraw/zinc/28/02/55/280280255.db2.gz JTHGNPTVNZTEHL-GFCCVEGCSA-N 1 0 297.468 2.303 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nc(C2CCCC2)no1 ZINC000246787067 280310146 /nfs/dbraw/zinc/31/01/46/280310146.db2.gz SAIZZCNJAKSULY-OCCSQVGLSA-N 1 0 290.411 2.396 10 0 CEAERO C[C@@H]1CCCC[C@H]1CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247470349 280330603 /nfs/dbraw/zinc/33/06/03/280330603.db2.gz GWTAHVXURCCXEM-ILXRZTDVSA-N 1 0 279.428 2.302 10 0 CEAERO Cc1cc(C(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)cc(C)c1F ZINC000270700292 280343441 /nfs/dbraw/zinc/34/34/41/280343441.db2.gz ZABLSHPKWFVJPQ-JSGCOSHPSA-N 1 0 278.371 2.465 10 0 CEAERO CO[C@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000248445791 280347338 /nfs/dbraw/zinc/34/73/38/280347338.db2.gz WOCFGQAIKAAZJV-NEPJUHHUSA-N 1 0 272.389 2.010 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)/C=C/c2cccc(O)c2)C1 ZINC000249088973 280383442 /nfs/dbraw/zinc/38/34/42/280383442.db2.gz UMQRXVCGRJFQBT-WHHBIATBSA-N 1 0 288.391 2.250 10 0 CEAERO C[C@@H]([NH3+])CCNC(=O)/C=C\c1ccnc2ccccc12 ZINC000255333221 280488955 /nfs/dbraw/zinc/48/89/55/280488955.db2.gz CGCHIBPNDUTOCP-ZHRWSRJISA-N 1 0 269.348 2.102 10 0 CEAERO CCC[C@@H]1C[C@H]1[NH2+]C[C@H](O)COc1ccccc1F ZINC000300593727 280579081 /nfs/dbraw/zinc/57/90/81/280579081.db2.gz ZESJVDVTXDUSNE-MBNYWOFBSA-N 1 0 267.344 2.344 10 0 CEAERO CC[C@@H]1c2ccsc2CCN1C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000234116951 280619737 /nfs/dbraw/zinc/61/97/37/280619737.db2.gz ITYNCPSPYPBACP-RAIGVLPGSA-N 1 0 278.421 2.439 10 0 CEAERO CC[C@H](C)c1ccc(S(=O)(=O)N2CC[C@H]([NH3+])[C@H]2C)cc1 ZINC000261857918 280803290 /nfs/dbraw/zinc/80/32/90/280803290.db2.gz XKTSEAJCCFQTJO-ZOWXZIJZSA-N 1 0 296.436 2.310 10 0 CEAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)OC(C)(C)C ZINC000082725354 288291359 /nfs/dbraw/zinc/29/13/59/288291359.db2.gz QNYMOBDYIUJTAI-VXGBXAGGSA-N 1 0 254.374 2.480 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C)n1C ZINC000174991357 281191968 /nfs/dbraw/zinc/19/19/68/281191968.db2.gz LGHHQZMCMIMVFY-UONOGXRCSA-N 1 0 275.396 2.032 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(Cl)c[nH]1 ZINC000246896360 281198377 /nfs/dbraw/zinc/19/83/77/281198377.db2.gz HGGIRPKWYNNEAA-RYUDHWBXSA-N 1 0 281.787 2.367 10 0 CEAERO CC[C@](C)(O)C[N@@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000189205023 281291225 /nfs/dbraw/zinc/29/12/25/281291225.db2.gz IFUXLJVFTDUBNW-HIFRSBDPSA-N 1 0 271.401 2.201 10 0 CEAERO Cc1nc(N2CC[C@H]([C@@H](C)[NH3+])C2)ccc1Br ZINC000261533365 281938468 /nfs/dbraw/zinc/93/84/68/281938468.db2.gz HHSCNFGUXFGCEI-SCZZXKLOSA-N 1 0 284.201 2.326 10 0 CEAERO C[C@@H]1COC[C@H](C)[N@H+]1CCCOCC(F)(F)F ZINC000077369892 288378782 /nfs/dbraw/zinc/37/87/82/288378782.db2.gz VOGAEZUOKLGFIU-AOOOYVTPSA-N 1 0 255.280 2.065 10 0 CEAERO Cc1nc2cc(NC(=O)[C@H]3CCC[C@@H]([NH3+])C3)ccc2[nH]1 ZINC000070575344 282054112 /nfs/dbraw/zinc/05/41/12/282054112.db2.gz CMAVAARWBQQCJN-WDEREUQCSA-N 1 0 272.352 2.327 10 0 CEAERO C[C@@H]1C[C@@H](C(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC(C)(C)C1 ZINC000248549087 288449938 /nfs/dbraw/zinc/44/99/38/288449938.db2.gz KBCPZHQOQCXMLR-KFWWJZLASA-N 1 0 296.455 2.238 10 0 CEAERO CN(C(=O)[C@H]1Cc2ccccc2S1)[C@@H]1CCC[NH2+]CC1 ZINC000231477226 288914924 /nfs/dbraw/zinc/91/49/24/288914924.db2.gz QEEGOWOULPQRCW-UKRRQHHQSA-N 1 0 290.432 2.304 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)C1CCC1 ZINC000152409892 289087626 /nfs/dbraw/zinc/08/76/26/289087626.db2.gz QMAOGCNCHCLYGK-CQSZACIVSA-N 1 0 267.417 2.301 10 0 CEAERO CC[N@H+](CCc1nccs1)C[C@H](O)COC(C)(C)C ZINC000159300271 289250625 /nfs/dbraw/zinc/25/06/25/289250625.db2.gz XYOMNXAKLXZFBW-LBPRGKRZSA-N 1 0 286.441 2.184 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H](C(=O)N(C[C@H]2CCCO2)C2CCCC2)C1 ZINC000262603704 289259725 /nfs/dbraw/zinc/25/97/25/289259725.db2.gz AUEYFYMBLHFVKF-IIAWOOMASA-N 1 0 294.439 2.454 10 0 CEAERO C[C@H](C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)c1ccccc1 ZINC000124483218 289320326 /nfs/dbraw/zinc/32/03/26/289320326.db2.gz GXOHHWVBHVORRX-IJEWVQPXSA-N 1 0 272.392 2.485 10 0 CEAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CCCC2(C)C)C1 ZINC000334459932 289325276 /nfs/dbraw/zinc/32/52/76/289325276.db2.gz TZFLMAAWTMZCQK-NWDGAFQWSA-N 1 0 253.390 2.053 10 0 CEAERO C[C@H](C[C@H]1COCCN1)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000133708668 289737183 /nfs/dbraw/zinc/73/71/83/289737183.db2.gz HBBHGNZVWXIGLU-XVSSEFHLSA-N 1 0 294.361 2.464 10 0 CEAERO CNC(=O)CN1CCC([NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000035273464 290424475 /nfs/dbraw/zinc/42/44/75/290424475.db2.gz WEMLONUPXABYNL-UKRRQHHQSA-N 1 0 295.471 2.001 10 0 CEAERO COc1ccc(CN2CCCC[C@@H]2C[NH3+])c(OC)c1OC ZINC000044539915 295128587 /nfs/dbraw/zinc/12/85/87/295128587.db2.gz BPCMQFPBXHIISL-CYBMUJFWSA-N 1 0 294.395 2.026 10 0 CEAERO [NH3+]CC1(C(=O)N2C[C@@H]3CCCC[C@@H]3C2)CCCC1 ZINC000158764584 295220633 /nfs/dbraw/zinc/22/06/33/295220633.db2.gz SBILGPYDTFGGNY-BETUJISGSA-N 1 0 250.386 2.154 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000261768927 295272295 /nfs/dbraw/zinc/27/22/95/295272295.db2.gz OEACDKDEAGMFMS-KJWHEZOQSA-N 1 0 264.413 2.446 10 0 CEAERO [NH3+][C@@H](CO)c1cc(Cl)ccc1Br ZINC000072199129 295295300 /nfs/dbraw/zinc/29/53/00/295295300.db2.gz PBDZJYYIEXHHKS-QMMMGPOBSA-N 1 0 250.523 2.095 10 0 CEAERO [NH3+][C@@H](CO)c1cc(Br)cc(Br)c1 ZINC000072199730 295295464 /nfs/dbraw/zinc/29/54/64/295295464.db2.gz BSESVAZJMMNEGU-QMMMGPOBSA-N 1 0 294.974 2.204 10 0 CEAERO C[C@H](C[C@H](C)[NH3+])Nc1ncccc1Br ZINC000165760675 297464015 /nfs/dbraw/zinc/46/40/15/297464015.db2.gz GBYGDSCGIIBBOI-JGVFFNPUSA-N 1 0 258.163 2.382 10 0 CEAERO [NH3+]Cc1nccn1Cc1cc(Br)cs1 ZINC000051003951 527267078 /nfs/dbraw/zinc/26/70/78/527267078.db2.gz GYFQHHMSCBJSSG-UHFFFAOYSA-N 1 0 272.171 2.214 10 0 CEAERO C[C@H]1CN(C(=O)CC23CC4CC(CC(C4)C2)C3)C[C@@H]1[NH3+] ZINC000235740731 300123224 /nfs/dbraw/zinc/12/32/24/300123224.db2.gz BWBGVGWVMWZBHL-INRQWTSDSA-N 1 0 276.424 2.399 10 0 CEAERO [NH3+]C1(CNC(=O)[C@H]2CCCO[C@H]2c2ccccc2)CCC1 ZINC000230067295 303359416 /nfs/dbraw/zinc/35/94/16/303359416.db2.gz YIILDVDXKGFCHE-GJZGRUSLSA-N 1 0 288.391 2.152 10 0 CEAERO [NH3+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000226279854 303403624 /nfs/dbraw/zinc/40/36/24/303403624.db2.gz PUERPFDEJWTJDV-MXWKQRLJSA-N 1 0 278.318 2.305 10 0 CEAERO COc1c(C[NH2+][C@H]2C[C@@](C)(OC)C2(C)C)c(C)nn1C ZINC000174135200 312687186 /nfs/dbraw/zinc/68/71/86/312687186.db2.gz XWEKBQATCZTAML-SWLSCSKDSA-N 1 0 281.400 2.030 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)N1CCC(c2nccs2)CC1 ZINC000581380476 322392368 /nfs/dbraw/zinc/39/23/68/322392368.db2.gz VMXIOQHPGCJZOU-LBPRGKRZSA-N 1 0 293.436 2.239 10 0 CEAERO C[C@H](Nc1cccc(CCCO)c1)[C@H]1CCC[NH2+]C1 ZINC000582050087 322442283 /nfs/dbraw/zinc/44/22/83/322442283.db2.gz FZGLUTHEIGXGCZ-ZFWWWQNUSA-N 1 0 262.397 2.412 10 0 CEAERO Cn1ccc([C@@H]2[NH2+]C[C@@]23CCN(C(=O)OC(C)(C)C)C3)c1 ZINC000536958517 330383775 /nfs/dbraw/zinc/38/37/75/330383775.db2.gz GLUIVEHQRVZPJX-XJKSGUPXSA-N 1 0 291.395 2.297 10 0 CEAERO CC(C)(C)[NH2+]Cc1ccc(N2CCCOCC2)nc1 ZINC000061935327 518764471 /nfs/dbraw/zinc/76/44/71/518764471.db2.gz MCWQPICZZHBOJI-UHFFFAOYSA-N 1 0 263.385 2.196 10 0 CEAERO CC(C)C[C@@H]([NH3+])[C@@H](O)c1cc2c(c(Cl)c1)OCO2 ZINC000054929326 519224726 /nfs/dbraw/zinc/22/47/26/519224726.db2.gz PXSIECXPFQCTOA-PWSUYJOCSA-N 1 0 271.744 2.476 10 0 CEAERO CC(C)(c1ccc(F)cc1)[C@H]([NH3+])CCCS(C)(=O)=O ZINC000069396491 519380762 /nfs/dbraw/zinc/38/07/62/519380762.db2.gz WXNOXEKBFVIUHI-CYBMUJFWSA-N 1 0 287.400 2.255 10 0 CEAERO CC(C)[NH2+]Cc1cnc(N2CCO[C@H](C)C2)c(Cl)c1 ZINC000051400132 519728782 /nfs/dbraw/zinc/72/87/82/519728782.db2.gz XCPFBOHCFNSFPJ-LLVKDONJSA-N 1 0 283.803 2.458 10 0 CEAERO CC(C)[NH2+]Cc1nnnn1-c1cc(Cl)cc(Cl)c1 ZINC000054744696 519729411 /nfs/dbraw/zinc/72/94/11/519729411.db2.gz OEPZYLMJDMYSPU-UHFFFAOYSA-N 1 0 286.166 2.467 10 0 CEAERO CC(C)CN1CC[NH+]([C@H]2C[C@H](C(C)C)CC[C@@H]2O)CC1 ZINC000055080832 519728643 /nfs/dbraw/zinc/72/86/43/519728643.db2.gz NLOYSWIVXNNSEF-IKGGRYGDSA-N 1 0 282.472 2.446 10 0 CEAERO CC(C)[NH2+][C@H](CC[N@@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000062461003 519737898 /nfs/dbraw/zinc/73/78/98/519737898.db2.gz HKFWBQYDSLQXQB-HUUCEWRRSA-N 1 0 282.428 2.482 10 0 CEAERO CC(C)C[NH2+]CC1([C@H]2CCS(=O)(=O)C2)CCCC1 ZINC000054655995 519743444 /nfs/dbraw/zinc/74/34/44/519743444.db2.gz HDCRSQPYJWIQRO-ZDUSSCGKSA-N 1 0 273.442 2.227 10 0 CEAERO CC[NH2+]CCS(=O)(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000049641014 519925255 /nfs/dbraw/zinc/92/52/55/519925255.db2.gz DRPDTGWEYMZYBA-UHFFFAOYSA-N 1 0 297.207 2.345 10 0 CEAERO CC[NH2+]CCS(=O)(=O)Nc1c(CC)cccc1CC ZINC000049632573 519926221 /nfs/dbraw/zinc/92/62/21/519926221.db2.gz XVLMCODOOYKBGP-UHFFFAOYSA-N 1 0 284.425 2.163 10 0 CEAERO CCC[NH2+]C[C@@H]1CC[C@H](Cn2cc(Cl)cn2)O1 ZINC000052577273 519927320 /nfs/dbraw/zinc/92/73/20/519927320.db2.gz AYTAFZALFAJZLO-NWDGAFQWSA-N 1 0 257.765 2.084 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N[C@H](C)c1ccc(OC)c(F)c1 ZINC000061233010 519937314 /nfs/dbraw/zinc/93/73/14/519937314.db2.gz QRJBGSNJKNBCMJ-GHMZBOCLSA-N 1 0 282.359 2.257 10 0 CEAERO CCC[NH2+]Cc1cnc(N(C)[C@H](C)COC)s1 ZINC000054906728 519961652 /nfs/dbraw/zinc/96/16/52/519961652.db2.gz PKSUMGXHLPAPOL-SNVBAGLBSA-N 1 0 257.403 2.114 10 0 CEAERO CCCN[C@@H](CC[N@H+](C)[C@@H]1CCCC[C@@H]1C)C(=O)OC ZINC000062522741 519997042 /nfs/dbraw/zinc/99/70/42/519997042.db2.gz IIJQGWKUSQMWLV-SOUVJXGZSA-N 1 0 284.444 2.428 10 0 CEAERO CCC[NH2+][C@@H](CC[N@H+](CC(C)C)C(C)C)C(=O)[O-] ZINC000062525341 519997164 /nfs/dbraw/zinc/99/71/64/519997164.db2.gz GJSKXCNFKJWCSZ-ZDUSSCGKSA-N 1 0 258.406 2.196 10 0 CEAERO CC[NH2+]Cc1nc(CN(C)CC(F)(F)F)cs1 ZINC000052483181 520020747 /nfs/dbraw/zinc/02/07/47/520020747.db2.gz OZKUSAAXARMMQZ-UHFFFAOYSA-N 1 0 267.320 2.247 10 0 CEAERO CCCN[C@](C)(C[C@@H](C)[N@H+](C)[C@@H](C)C(C)(C)C)C(N)=O ZINC000068630337 520110143 /nfs/dbraw/zinc/11/01/43/520110143.db2.gz LORLQKBXZOZNHX-DVOMOZLQSA-N 1 0 285.476 2.375 10 0 CEAERO CC[NH2+][C@H]1CCCc2nc(N(C)CCOC)sc21 ZINC000054909080 520216020 /nfs/dbraw/zinc/21/60/20/520216020.db2.gz FALGCLJPDQKJQO-JTQLQIEISA-N 1 0 269.414 2.213 10 0 CEAERO CCO[C@H]1CCCN(c2ncc(C[NH3+])cc2Cl)C1 ZINC000051398221 520529139 /nfs/dbraw/zinc/52/91/39/520529139.db2.gz RJQMFTJOPJPWRU-NSHDSACASA-N 1 0 269.776 2.199 10 0 CEAERO CCOC(=O)[C@@](C[N@H+](CC(C)C)C1CC1)(NC)C1CC1 ZINC000069132038 521166126 /nfs/dbraw/zinc/16/61/26/521166126.db2.gz HMEMDZJEIOQGLE-INIZCTEOSA-N 1 0 282.428 2.038 10 0 CEAERO CCC(C)(C)[N@H+](C)CCCC[C@@](C)([NH3+])C(=O)OC ZINC000069443455 521301619 /nfs/dbraw/zinc/30/16/19/521301619.db2.gz AZQZAYSASUHDCI-CQSZACIVSA-N 1 0 258.406 2.168 10 0 CEAERO CCOC(=O)[C@](C)(C[C@H](C)[NH+]1CCC(C)(C)CC1)NC ZINC000068643340 521323853 /nfs/dbraw/zinc/32/38/53/521323853.db2.gz BZURYUASHXYHIF-BBRMVZONSA-N 1 0 284.444 2.428 10 0 CEAERO CCOC(=O)[C@](C)([NH3+])C[C@@H](C)n1cc(C(F)(F)F)cn1 ZINC000068650412 521329059 /nfs/dbraw/zinc/32/90/59/521329059.db2.gz LWBGDRQVSFLZKN-LDYMZIIASA-N 1 0 293.289 2.134 10 0 CEAERO CCNC(=O)CC[NH2+]Cc1ccccc1C(F)(F)F ZINC000061626617 521735828 /nfs/dbraw/zinc/73/58/28/521735828.db2.gz KKGZMAROEHHWQN-UHFFFAOYSA-N 1 0 274.286 2.321 10 0 CEAERO C[NH2+]C(C)(C)C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000061318528 521936420 /nfs/dbraw/zinc/93/64/20/521936420.db2.gz UNUHKTBBRYFOAQ-UHFFFAOYSA-N 1 0 290.285 2.199 10 0 CEAERO C[NH2+]Cc1sc(N2CCCO[C@H](C)C2)nc1C1CC1 ZINC000069182161 522167617 /nfs/dbraw/zinc/16/76/17/522167617.db2.gz OHHUYTJUJFEZSL-SNVBAGLBSA-N 1 0 281.425 2.355 10 0 CEAERO COC[C@@H](C)N(C)[C@@H](C[NH3+])c1cc2ccccc2o1 ZINC000068811584 522219509 /nfs/dbraw/zinc/21/95/09/522219509.db2.gz OOKQXEAXAVBACQ-YPMHNXCESA-N 1 0 262.353 2.399 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1ncnc2[nH]cnc21)C(F)(F)F ZINC000051036386 522343929 /nfs/dbraw/zinc/34/39/29/522343929.db2.gz VLJKBNYTAHWMLD-FSPLSTOPSA-N 1 0 291.302 2.113 10 0 CEAERO CCc1nc(N2CCC(C[NH+](C)C)CC2)sc1C=O ZINC000054967600 522383218 /nfs/dbraw/zinc/38/32/18/522383218.db2.gz DEMDBAXIUYDRBL-UHFFFAOYSA-N 1 0 281.425 2.296 10 0 CEAERO C[NH2+][C@H](C)c1sc(N(C)C[C@@H]2CCCO2)nc1C ZINC000054907702 522456744 /nfs/dbraw/zinc/45/67/44/522456744.db2.gz GAHNZOHZDKVNLJ-KOLCDFICSA-N 1 0 269.414 2.347 10 0 CEAERO C[NH2+][C@H](C)c1nnc(-c2ccc(OC)cc2OC)o1 ZINC000050618313 522456757 /nfs/dbraw/zinc/45/67/57/522456757.db2.gz NBUYUOOSSHHGJA-MRVPVSSYSA-N 1 0 263.297 2.034 10 0 CEAERO CC[NH2+]C[C@](C)(O)COc1ccc(Cl)cc1C ZINC000090823001 517670340 /nfs/dbraw/zinc/67/03/40/517670340.db2.gz UPUGQJFUMUZOAV-ZDUSSCGKSA-N 1 0 257.761 2.388 10 0 CEAERO C[C@H]1CCCCN1c1nc2ccccn2c1CC[NH3+] ZINC000111477752 518184060 /nfs/dbraw/zinc/18/40/60/518184060.db2.gz JCBFUEPAVLNXGB-LBPRGKRZSA-N 1 0 258.369 2.214 10 0 CEAERO Brc1ccc(OCCO[C@H]2CC[NH2+]C2)cc1 ZINC000051782826 518214691 /nfs/dbraw/zinc/21/46/91/518214691.db2.gz HTPWTDRYUQSHQI-LBPRGKRZSA-N 1 0 286.169 2.206 10 0 CEAERO CC(C)(C)[NH2+]Cc1cc(N2CCn3ccnc3C2)ccn1 ZINC000062324243 518764062 /nfs/dbraw/zinc/76/40/62/518764062.db2.gz SXWWHDFPAYXOTM-UHFFFAOYSA-N 1 0 285.395 2.186 10 0 CEAERO CC(C)(C)[NH2+]Cc1nnnn1-c1cccc2c1CCCC2 ZINC000054745022 518770210 /nfs/dbraw/zinc/77/02/10/518770210.db2.gz ULZQEKDUUCLDLW-UHFFFAOYSA-N 1 0 285.395 2.429 10 0 CEAERO CC(C)(C)c1csc(NC(=O)C[NH2+]C2CC2)n1 ZINC000049500078 519084847 /nfs/dbraw/zinc/08/48/47/519084847.db2.gz KLXKFJWSOCRFCB-UHFFFAOYSA-N 1 0 253.371 2.131 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccccc1O ZINC000049560312 519340746 /nfs/dbraw/zinc/34/07/46/519340746.db2.gz CWGTVLHNJDVRMF-GFCCVEGCSA-N 1 0 264.369 2.098 10 0 CEAERO CC(C)N(CCCO)c1cc(C(N)=[NH2+])c2ccccc2n1 ZINC000068797935 519644930 /nfs/dbraw/zinc/64/49/30/519644930.db2.gz IQZULZRSSMEZTB-UHFFFAOYSA-N 1 0 286.379 2.116 10 0 CEAERO CC(C)N1C(=O)C[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1=O ZINC000049504018 519666510 /nfs/dbraw/zinc/66/65/10/519666510.db2.gz BFZPVWXWMGNICI-GXFFZTMASA-N 1 0 278.327 2.012 10 0 CEAERO CC(C)CC[C@@H](C)[NH2+][C@@H]1CC(=O)N(C2CCCC2)C1=O ZINC000069234464 519682681 /nfs/dbraw/zinc/68/26/81/519682681.db2.gz IMCNLYWGCISYQK-TZMCWYRMSA-N 1 0 280.412 2.471 10 0 CEAERO CC(C)[NH+]1CCN(c2c(N)ccc(F)c2F)CC1 ZINC000053165439 519683610 /nfs/dbraw/zinc/68/36/10/519683610.db2.gz HSWBSUQMNLAIMY-UHFFFAOYSA-N 1 0 255.312 2.077 10 0 CEAERO CC(C)CN(C(=O)[C@@H](C[NH3+])c1ccccc1)C1CC1 ZINC000061612003 519706793 /nfs/dbraw/zinc/70/67/93/519706793.db2.gz KCFFUFPWPIFPOA-HNNXBMFYSA-N 1 0 260.381 2.376 10 0 CEAERO CC(C)[NH2+]CCCS(=O)(=O)N1c2ccccc2C[C@@H]1C ZINC000049641220 519720996 /nfs/dbraw/zinc/72/09/96/519720996.db2.gz MOPJDOFBBPMMSU-ZDUSSCGKSA-N 1 0 296.436 2.156 10 0 CEAERO CC(C)[NH2+]CCS(=O)(=O)NC1CCCCCCC1 ZINC000049640965 519722413 /nfs/dbraw/zinc/72/24/13/519722413.db2.gz PPCWYWWDFVVUOG-UHFFFAOYSA-N 1 0 276.446 2.017 10 0 CEAERO CC(C)[NH2+]C[C@@H]1CCCN(Cc2nnsc2Cl)C1 ZINC000063139229 519723641 /nfs/dbraw/zinc/72/36/41/519723641.db2.gz FYJDISVELCUNLR-JTQLQIEISA-N 1 0 288.848 2.402 10 0 CEAERO CC(C)[NH2+]C[C@H]1CCCN(c2nccn(C(C)C)c2=O)C1 ZINC000061775635 519725406 /nfs/dbraw/zinc/72/54/06/519725406.db2.gz ZLGAJGGIHNQPOS-CQSZACIVSA-N 1 0 292.427 2.039 10 0 CEAERO CC(C)C[NH+]1CCN(C[C@@](C)(O)c2ccccc2)CC1 ZINC000055080479 519726474 /nfs/dbraw/zinc/72/64/74/519726474.db2.gz ZWMAPCCWUPLORU-QGZVFWFLSA-N 1 0 276.424 2.168 10 0 CEAERO CC(C)[NH2+]Cc1ccc(-n2nnc3ccccc32)nc1 ZINC000051491831 519726763 /nfs/dbraw/zinc/72/67/63/519726763.db2.gz PWKPSINIFKRWLR-UHFFFAOYSA-N 1 0 267.336 2.314 10 0 CEAERO CC(C)[NH2+]Cc1cc2c(cc1OC1CCOCC1)OCO2 ZINC000069289154 519726970 /nfs/dbraw/zinc/72/69/70/519726970.db2.gz IYAUYZWGZZLOHD-UHFFFAOYSA-N 1 0 293.363 2.471 10 0 CEAERO CC(C)C[NH+]1CCN(Cc2nc(N)ccc2Cl)CC1 ZINC000061639149 519727142 /nfs/dbraw/zinc/72/71/42/519727142.db2.gz VUMLCUHDDCNPGK-UHFFFAOYSA-N 1 0 282.819 2.091 10 0 CEAERO CC(C)[NH2+]Cc1nnnn1C(C)(C)CC(C)(C)C ZINC000054748144 519729515 /nfs/dbraw/zinc/72/95/15/519729515.db2.gz SXMDACLRXQKUIO-UHFFFAOYSA-N 1 0 253.394 2.342 10 0 CEAERO CC(C)[NH2+]Cc1nnnn1-c1ccccc1C(F)(F)F ZINC000054744817 519729519 /nfs/dbraw/zinc/72/95/19/519729519.db2.gz SKLHZDKESOXFCJ-UHFFFAOYSA-N 1 0 285.273 2.179 10 0 CEAERO CC(=O)Nc1ccc([C@H](O)[C@H]([NH3+])CC(C)C)cc1 ZINC000054929542 519734323 /nfs/dbraw/zinc/73/43/23/519734323.db2.gz JACBETFJQKZQRH-KGLIPLIRSA-N 1 0 250.342 2.052 10 0 CEAERO CC(C)[NH2+][C@@H](CCSC1CCCCC1)C(N)=O ZINC000062601098 519734785 /nfs/dbraw/zinc/73/47/85/519734785.db2.gz AQGQQTQVEPPZRF-LBPRGKRZSA-N 1 0 258.431 2.294 10 0 CEAERO CC(C)N[C@@](C)(C[C@@H](C)[N@H+](C)CC1CCCC1)C(N)=O ZINC000068647043 519735947 /nfs/dbraw/zinc/73/59/47/519735947.db2.gz LHLQFXLSEVCJBR-CJNGLKHVSA-N 1 0 283.460 2.129 10 0 CEAERO CC(C)[NH2+][C@](C)(CCCN(C)c1ccc(F)cc1)C(N)=O ZINC000049965677 519739250 /nfs/dbraw/zinc/73/92/50/519739250.db2.gz WGXMSURKVJQWDW-MRXNPFEDSA-N 1 0 295.402 2.284 10 0 CEAERO CC(C)C[NH2+]CCN(C)CCOc1ccccc1 ZINC000053661456 519744083 /nfs/dbraw/zinc/74/40/83/519744083.db2.gz MFDXLYIHVPYSOF-UHFFFAOYSA-N 1 0 250.386 2.243 10 0 CEAERO CC(C)C[NH2+]C[C@H](C)n1nnc(-c2ccccc2)n1 ZINC000052574709 519746030 /nfs/dbraw/zinc/74/60/30/519746030.db2.gz CTHBRTGDFWUPSF-LBPRGKRZSA-N 1 0 259.357 2.147 10 0 CEAERO CC(C)C[NH2+]C[C@](C)(O)c1ccc2c(c1)OCCCO2 ZINC000055033473 519746731 /nfs/dbraw/zinc/74/67/31/519746731.db2.gz NUHAJGVVBBCECC-INIZCTEOSA-N 1 0 279.380 2.301 10 0 CEAERO CC(C)C[NH2+]Cc1ccccc1N1CCC(C(N)=O)CC1 ZINC000062734528 519747663 /nfs/dbraw/zinc/74/76/63/519747663.db2.gz PXGWAGPFJXECIH-UHFFFAOYSA-N 1 0 289.423 2.134 10 0 CEAERO CC(C)OCCN1CCC[NH2+][C@H](c2ccccc2)C1 ZINC000062660574 519765708 /nfs/dbraw/zinc/76/57/08/519765708.db2.gz KMTPXIFHCSLSFM-INIZCTEOSA-N 1 0 262.397 2.448 10 0 CEAERO CC(C)C[C@@H](C)OCCn1cc(C[NH2+]C(C)C)nn1 ZINC000052603551 519774103 /nfs/dbraw/zinc/77/41/03/519774103.db2.gz ZDGWSOKCPMAEMH-CYBMUJFWSA-N 1 0 268.405 2.227 10 0 CEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc(F)c(N)c1 ZINC000049550957 519775510 /nfs/dbraw/zinc/77/55/10/519775510.db2.gz BVHDYKAQIGICMM-LBPRGKRZSA-N 1 0 281.375 2.114 10 0 CEAERO CC(C)[C@@H]1CCC(=O)[C@@H](C[N@H+](CCO)C2CC2)C1 ZINC000054559349 519801822 /nfs/dbraw/zinc/80/18/22/519801822.db2.gz FLBZEYIXOXGGKN-CHWSQXEVSA-N 1 0 253.386 2.085 10 0 CEAERO CC(C)[C@@H]1CC[C@@H]([NH3+])[C@H](N2CCOC(C)(C)C2)C1 ZINC000054555125 519803340 /nfs/dbraw/zinc/80/33/40/519803340.db2.gz SCRAVURLFIJJBC-MGPQQGTHSA-N 1 0 254.418 2.249 10 0 CEAERO CC(C)[C@@H]1CC[C@H](O)[C@H]([NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000054558154 519803495 /nfs/dbraw/zinc/80/34/95/519803495.db2.gz ZEBHRKSFCBCQGZ-RYPNDVFKSA-N 1 0 255.402 2.281 10 0 CEAERO CC(C)[C@H]1CCC(=O)[C@@H](C[NH+]2CCC(CO)CC2)C1 ZINC000054558812 519824449 /nfs/dbraw/zinc/82/44/49/519824449.db2.gz NEZIPMQNXIAMKX-LSDHHAIUSA-N 1 0 267.413 2.332 10 0 CEAERO CC(C)c1ccc([C@@H]([NH3+])Cn2ncccc2=O)cc1 ZINC000061402685 519839316 /nfs/dbraw/zinc/83/93/16/519839316.db2.gz POEYRTDHGJVINK-AWEZNQCLSA-N 1 0 257.337 2.067 10 0 CEAERO CC(C)c1ccn(-c2nc3ccccn3c2C[NH3+])n1 ZINC000052884902 519848252 /nfs/dbraw/zinc/84/82/52/519848252.db2.gz RCTVRPOAQRYPAD-UHFFFAOYSA-N 1 0 255.325 2.102 10 0 CEAERO CCC1CCC(C[NH3+])(N(C)Cc2ncccn2)CC1 ZINC000054458700 519850494 /nfs/dbraw/zinc/85/04/94/519850494.db2.gz IGEJPCGFEWWEFZ-UHFFFAOYSA-N 1 0 262.401 2.206 10 0 CEAERO CCC1CCC(NS(=O)(=O)c2cccc(C[NH3+])c2)CC1 ZINC000049120978 519856957 /nfs/dbraw/zinc/85/69/57/519856957.db2.gz DYOULCORAYZTLR-UHFFFAOYSA-N 1 0 296.436 2.392 10 0 CEAERO CC(C)c1[nH+]c2cc(N)ccc2n1CCCS(C)(=O)=O ZINC000052853977 519869436 /nfs/dbraw/zinc/86/94/36/519869436.db2.gz ZELULFCJUANLSD-UHFFFAOYSA-N 1 0 295.408 2.177 10 0 CEAERO CCCNC(=O)COc1cccc(C[NH2+]CC(C)C)c1 ZINC000062731441 519881533 /nfs/dbraw/zinc/88/15/33/519881533.db2.gz KOLVKTWKFGRFAU-UHFFFAOYSA-N 1 0 278.396 2.337 10 0 CEAERO CCCNC(=O)[C@@H](C)Oc1ccc2c(c1)OC[C@@H]2[NH2+]CC ZINC000062804837 519888850 /nfs/dbraw/zinc/88/88/50/519888850.db2.gz VRPOQCDLOOTPIW-RISCZKNCSA-N 1 0 292.379 2.023 10 0 CEAERO CCN(C(=O)CC[NH2+]C1CC1)c1ccccc1F ZINC000050013389 519905416 /nfs/dbraw/zinc/90/54/16/519905416.db2.gz BPARQHPUFFWJJB-UHFFFAOYSA-N 1 0 250.317 2.321 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000061296779 519905639 /nfs/dbraw/zinc/90/56/39/519905639.db2.gz KGQRIQCWJZCQOG-NSHDSACASA-N 1 0 291.395 2.210 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N[C@H](C)c1cc(F)ccc1OC ZINC000061292825 519906131 /nfs/dbraw/zinc/90/61/31/519906131.db2.gz NIDCCWYZDNVOIE-SNVBAGLBSA-N 1 0 282.359 2.400 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1ccc(C(=O)NC(C)C)cc1 ZINC000061293716 519906661 /nfs/dbraw/zinc/90/66/61/519906661.db2.gz DXVXJPLOHANJDK-UHFFFAOYSA-N 1 0 291.395 2.151 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1ccc(-c2nnco2)cc1 ZINC000061298589 519906720 /nfs/dbraw/zinc/90/67/20/519906720.db2.gz JGPMSNOFMMJJIM-UHFFFAOYSA-N 1 0 274.324 2.063 10 0 CEAERO CCN(C(=O)CCc1ccc(C)cc1)[C@H]1CC[NH2+]C1 ZINC000052945801 519907120 /nfs/dbraw/zinc/90/71/20/519907120.db2.gz WUOQJHUESRNEAO-HNNXBMFYSA-N 1 0 260.381 2.138 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000061298715 519907503 /nfs/dbraw/zinc/90/75/03/519907503.db2.gz WMVQEMAQDQNDSL-UHFFFAOYSA-N 1 0 289.379 2.140 10 0 CEAERO CC[NH2+]CCC(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000061291110 519917652 /nfs/dbraw/zinc/91/76/52/519917652.db2.gz AEXCFFPLVJECIU-UHFFFAOYSA-N 1 0 270.716 2.007 10 0 CEAERO CC[NH2+]CCC(=O)Nc1cc(NC(=O)CC)ccc1C ZINC000061290613 519917887 /nfs/dbraw/zinc/91/78/87/519917887.db2.gz BXGJQIXCAPRQMN-UHFFFAOYSA-N 1 0 277.368 2.282 10 0 CEAERO CCC[NH2+]CCc1c(C)nc(-c2cnccn2)nc1C ZINC000054853767 519919211 /nfs/dbraw/zinc/91/92/11/519919211.db2.gz LSCLYOQNISIPNX-UHFFFAOYSA-N 1 0 271.368 2.093 10 0 CEAERO CCC[NH2+]CCc1nnc(-c2scnc2C)o1 ZINC000050619963 519920404 /nfs/dbraw/zinc/92/04/04/519920404.db2.gz STCDWMDKTBTPFG-UHFFFAOYSA-N 1 0 252.343 2.044 10 0 CEAERO CCC[NH2+]C[C@@H](C)N1CCN(c2ccccc2F)CC1 ZINC000052374646 519920514 /nfs/dbraw/zinc/92/05/14/519920514.db2.gz ZFCMEXVJNFPBTL-CQSZACIVSA-N 1 0 279.403 2.336 10 0 CEAERO CC(C)n1c2ccccc2nc1CN1CCC[NH2+]CC1 ZINC000061145456 519927030 /nfs/dbraw/zinc/92/70/30/519927030.db2.gz LCNWKDMJNSTOBY-UHFFFAOYSA-N 1 0 272.396 2.413 10 0 CEAERO CC[NH2+]CCc1nnc(-c2c(F)cccc2F)o1 ZINC000050619725 519927677 /nfs/dbraw/zinc/92/76/77/519927677.db2.gz XJTGVYWSOJCTJR-UHFFFAOYSA-N 1 0 253.252 2.167 10 0 CEAERO CC[NH2+]CC[C@H](C)N1CCN(c2cccc(OC)c2)CC1 ZINC000052423708 519928287 /nfs/dbraw/zinc/92/82/87/519928287.db2.gz OCEARNYVHQZYEV-HNNXBMFYSA-N 1 0 291.439 2.205 10 0 CEAERO CC[NH2+]CC[C@@H](C)N1CCN(c2ccccc2OC)CC1 ZINC000052422935 519928657 /nfs/dbraw/zinc/92/86/57/519928657.db2.gz OCQPQQDYHGYSFR-OAHLLOKOSA-N 1 0 291.439 2.205 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N(C)CCCc1ccccc1 ZINC000061230204 519930970 /nfs/dbraw/zinc/93/09/70/519930970.db2.gz SAUINEJCBSEHDQ-CQSZACIVSA-N 1 0 262.397 2.323 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N(C)[C@@H]1CCc2ccccc21 ZINC000061230117 519931711 /nfs/dbraw/zinc/93/17/11/519931711.db2.gz KGVJVDNZPKMAMW-IUODEOHRSA-N 1 0 260.381 2.378 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)NCC(C)(C)c1ccccc1 ZINC000061266192 519934508 /nfs/dbraw/zinc/93/45/08/519934508.db2.gz KAURVCLGQGUJNM-CYBMUJFWSA-N 1 0 262.397 2.326 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000061267385 519935857 /nfs/dbraw/zinc/93/58/57/519935857.db2.gz IMSHOPXSMGRICH-GFCCVEGCSA-N 1 0 273.380 2.072 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000061231149 519937479 /nfs/dbraw/zinc/93/74/79/519937479.db2.gz VHRBFYZKBDMKOZ-ZJUUUORDSA-N 1 0 270.323 2.388 10 0 CEAERO CCC[NH2+]C[C@H]1CC[C@H](CN(C)CC(F)(F)F)O1 ZINC000052483387 519938348 /nfs/dbraw/zinc/93/83/48/519938348.db2.gz BSCGIUMYGWRNQV-GHMZBOCLSA-N 1 0 268.323 2.028 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccc(F)c(F)c1F ZINC000061227478 519940916 /nfs/dbraw/zinc/94/09/16/519940916.db2.gz NOJQNXRJXBCVPC-SSDOTTSWSA-N 1 0 260.259 2.288 10 0 CEAERO CC[NH2+]C[C@@H](C)c1nc(COc2ccccc2)no1 ZINC000061220870 519944773 /nfs/dbraw/zinc/94/47/73/519944773.db2.gz REMVOHUUWGNKCS-LLVKDONJSA-N 1 0 261.325 2.362 10 0 CEAERO CCC[NH2+]Cc1ccccc1OC[C@@H](O)C(F)(F)F ZINC000068875949 519957429 /nfs/dbraw/zinc/95/74/29/519957429.db2.gz CCAHYSLBVAJMQJ-GFCCVEGCSA-N 1 0 277.286 2.488 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N1CCC(Oc2ccccc2)CC1 ZINC000061234269 519959995 /nfs/dbraw/zinc/95/99/95/519959995.db2.gz VHYJAALYLKXCOC-AWEZNQCLSA-N 1 0 290.407 2.302 10 0 CEAERO CCC[NH2+]Cc1cn(CCOCCCC(C)C)nn1 ZINC000052630278 519961254 /nfs/dbraw/zinc/96/12/54/519961254.db2.gz WWBXRLFOTKOHIZ-UHFFFAOYSA-N 1 0 268.405 2.231 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000061230295 519962076 /nfs/dbraw/zinc/96/20/76/519962076.db2.gz JRXXNSMZHMWPHF-BFHYXJOUSA-N 1 0 252.402 2.271 10 0 CEAERO CC(C)n1cc(NC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cn1 ZINC000061683525 519964011 /nfs/dbraw/zinc/96/40/11/519964011.db2.gz ITOVWPYZQJFMEY-KWCYVHTRSA-N 1 0 276.384 2.323 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N[C@@H](C)c1cccc(F)c1 ZINC000061267145 519964596 /nfs/dbraw/zinc/96/45/96/519964596.db2.gz SMDCEXUUFGNAHM-QWRGUYRKSA-N 1 0 252.333 2.249 10 0 CEAERO CCC[NH2+]Cc1cnn([C@@H]2CCCCC[C@@H]2O)c1 ZINC000054600471 519964888 /nfs/dbraw/zinc/96/48/88/519964888.db2.gz QYPTXMAWXHVMQB-KGLIPLIRSA-N 1 0 251.374 2.249 10 0 CEAERO CCC[NH2+]Cc1cnc(N2C[C@H](C)OC[C@@H]2C)s1 ZINC000054903455 519964904 /nfs/dbraw/zinc/96/49/04/519964904.db2.gz LAABJNUNZWSVCQ-QWRGUYRKSA-N 1 0 269.414 2.256 10 0 CEAERO CCC[NH2+]Cc1cnc(N2CCOC[C@@H]2CC)s1 ZINC000054904662 519965984 /nfs/dbraw/zinc/96/59/84/519965984.db2.gz SZGLLKIQADWLPI-NSHDSACASA-N 1 0 269.414 2.258 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccc(F)cc1OCC ZINC000061233714 519967074 /nfs/dbraw/zinc/96/70/74/519967074.db2.gz XBSLYCXSYQOPSG-JTQLQIEISA-N 1 0 268.332 2.409 10 0 CEAERO CC[NH2+]C[C@]1(CCc2scnc2C)CCOC1 ZINC000054664268 519983479 /nfs/dbraw/zinc/98/34/79/519983479.db2.gz XMKDNXMMHCOYTH-ZDUSSCGKSA-N 1 0 254.399 2.400 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccc(F)cc1OCC(=O)OC ZINC000062747370 519989479 /nfs/dbraw/zinc/98/94/79/519989479.db2.gz WKSMZZTVPXGQMK-JTQLQIEISA-N 1 0 269.316 2.438 10 0 CEAERO CCOCCOC[C@H](O)C[NH2+]C(C)(C)CC(C)(C)C ZINC000050878028 520000096 /nfs/dbraw/zinc/00/00/96/520000096.db2.gz BZVSKWMFBCUGCW-CYBMUJFWSA-N 1 0 275.433 2.205 10 0 CEAERO CCC[NH2+][C@@H](c1ccc2c(c1)CCO2)[C@H]1COCCO1 ZINC000055300472 520017349 /nfs/dbraw/zinc/01/73/49/520017349.db2.gz BUQASXQQETVKCR-CVEARBPZSA-N 1 0 277.364 2.078 10 0 CEAERO CCC[NH2+][C@@H](c1ccc2c(c1)CC(=O)N2)[C@H]1CCOC1 ZINC000048625680 520017939 /nfs/dbraw/zinc/01/79/39/520017939.db2.gz DLBJQEOZMYHCGL-LRDDRELGSA-N 1 0 274.364 2.258 10 0 CEAERO CCOCCO[C@@H](C[NH2+]C)c1ccccc1OC ZINC000050489724 520018866 /nfs/dbraw/zinc/01/88/66/520018866.db2.gz WSBBQAAELRVTTC-AWEZNQCLSA-N 1 0 253.342 2.009 10 0 CEAERO CC[NH2+]Cc1occc1CN1C[C@H](C)OC[C@@H]1CC ZINC000052570972 520030558 /nfs/dbraw/zinc/03/05/58/520030558.db2.gz RNHAPQBXOTYROK-JSGCOSHPSA-N 1 0 266.385 2.388 10 0 CEAERO CCCN[C@@](C)(C[C@@H](C)[NH+]1CCCCC1)C(=O)OC ZINC000068620184 520041027 /nfs/dbraw/zinc/04/10/27/520041027.db2.gz BCCDATOGYRNGMJ-HIFRSBDPSA-N 1 0 270.417 2.182 10 0 CEAERO CCCN[C@@](C[N@H+](C)[C@@H](C)C1CC1)(C(=O)OC)C1CC1 ZINC000069099804 520050643 /nfs/dbraw/zinc/05/06/43/520050643.db2.gz QIVXWUWMSVUIQI-BLLLJJGKSA-N 1 0 282.428 2.038 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N[C@@H](C)Cc1c(F)cccc1F ZINC000061271550 520065032 /nfs/dbraw/zinc/06/50/32/520065032.db2.gz RIUFNZJHSWPKSU-QWRGUYRKSA-N 1 0 284.350 2.400 10 0 CEAERO CCC[NH2+][C@H](C)c1ccccc1OCCC(=O)NC ZINC000051757172 520065153 /nfs/dbraw/zinc/06/51/53/520065153.db2.gz ILAXDXLUTALXQW-GFCCVEGCSA-N 1 0 264.369 2.262 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000061272846 520065418 /nfs/dbraw/zinc/06/54/18/520065418.db2.gz XJSLGSQYFRBCAH-RYUDHWBXSA-N 1 0 291.395 2.210 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N[C@@H](C)c1ccccc1OC ZINC000061273846 520066725 /nfs/dbraw/zinc/06/67/25/520066725.db2.gz GXVXOGFHNQTKCN-RYUDHWBXSA-N 1 0 264.369 2.261 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000061270958 520067473 /nfs/dbraw/zinc/06/74/73/520067473.db2.gz ZCVALQAGMJKMBL-WCQYABFASA-N 1 0 262.353 2.015 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1cc(F)c(F)c(F)c1 ZINC000061274870 520068620 /nfs/dbraw/zinc/06/86/20/520068620.db2.gz RNHMVQIQUFFLEJ-ZETCQYMHSA-N 1 0 260.259 2.431 10 0 CEAERO CC[NH2+][C@@H](C)CCN1CCN(c2ccc(F)cc2)CC1 ZINC000061274930 520071756 /nfs/dbraw/zinc/07/17/56/520071756.db2.gz JUJYQFWKCWQZKA-AWEZNQCLSA-N 1 0 279.403 2.336 10 0 CEAERO CC[NH2+][C@@H](C)Cc1nc(COc2ccccc2)no1 ZINC000061213132 520072787 /nfs/dbraw/zinc/07/27/87/520072787.db2.gz YCBJJHXJOGTCMQ-NSHDSACASA-N 1 0 261.325 2.189 10 0 CEAERO CCC[NH2+][C@H](CC[NH+]1CCC(CCC)CC1)C(=O)[O-] ZINC000062531111 520073965 /nfs/dbraw/zinc/07/39/65/520073965.db2.gz XDEASZAIBBQHNN-CQSZACIVSA-N 1 0 270.417 2.341 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(F)cc1OCC(=O)NC1CC1 ZINC000062747086 520074145 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CCC[C@H]1C[NH2+][C@@H](C)CN1Cc1cn2ccccc2n1 ZINC000068697592 521224294 /nfs/dbraw/zinc/22/42/94/521224294.db2.gz VGMVVZSTSORQFG-ZFWWWQNUSA-N 1 0 272.396 2.297 10 0 CEAERO CCC(=O)Nc1cccc(NC(=O)[C@@]2(C)CCC[NH2+]C2)c1 ZINC000062859131 521225654 /nfs/dbraw/zinc/22/56/54/521225654.db2.gz MHPDMTHCHBEEGP-INIZCTEOSA-N 1 0 289.379 2.363 10 0 CEAERO CCN(C[C@H](C)C[NH3+])C(=O)c1cc(F)c(F)c(F)c1 ZINC000063003869 521249616 /nfs/dbraw/zinc/24/96/16/521249616.db2.gz IGJXTMMWTSIVTJ-MRVPVSSYSA-N 1 0 274.286 2.161 10 0 CEAERO CCC[C@]1(C(=O)N[C@H](C)c2ccncc2)CC[NH2+]C1 ZINC000062890664 521300137 /nfs/dbraw/zinc/30/01/37/521300137.db2.gz BYAONSCKNVSKKX-DOMZBBRYSA-N 1 0 261.369 2.039 10 0 CEAERO CCOC(=O)[C@](C)(CCC[N@@H+]1CCCC(C)(C)C1)NC ZINC000069516543 521319416 /nfs/dbraw/zinc/31/94/16/521319416.db2.gz DPLKYPBWOXNCAL-INIZCTEOSA-N 1 0 284.444 2.430 10 0 CEAERO CCC(C)(C)NC(=O)COc1ccc2c(c1)OC[C@@H]2[NH2+]C ZINC000062804061 521320131 /nfs/dbraw/zinc/32/01/31/521320131.db2.gz HFFQDTDJFGXGJJ-ZDUSSCGKSA-N 1 0 292.379 2.023 10 0 CEAERO CCOC(=O)c1c(CC)c(C)sc1NC(=O)[C@@H](C)[NH2+]C ZINC000052395744 521411585 /nfs/dbraw/zinc/41/15/85/521411585.db2.gz DAGAMSLPJSFVFL-MRVPVSSYSA-N 1 0 298.408 2.342 10 0 CEAERO CCOc1ccccc1C(=O)CN1CCC[C@@H]1C[NH+](C)C ZINC000061645783 521449423 /nfs/dbraw/zinc/44/94/23/521449423.db2.gz ORVJYHRJVHFIAR-CQSZACIVSA-N 1 0 290.407 2.294 10 0 CEAERO CCC(CC)(CO)[NH2+]C[C@H](O)COc1cc(C)ccc1C ZINC000053070463 521458706 /nfs/dbraw/zinc/45/87/06/521458706.db2.gz KAMMQWBRNADBIZ-HNNXBMFYSA-N 1 0 295.423 2.184 10 0 CEAERO CCCN(C)c1nc(C)c(C[NH2+]CCOC)s1 ZINC000054996386 521519900 /nfs/dbraw/zinc/51/99/00/521519900.db2.gz GVFOKCOUIGMANV-UHFFFAOYSA-N 1 0 257.403 2.034 10 0 CEAERO CCC(CC)C[N@H+](CC)C[C@@](NC1CC1)(C(N)=O)C1CC1 ZINC000069132126 521520053 /nfs/dbraw/zinc/52/00/53/521520053.db2.gz QQQLLVCNGDNMPU-KRWDZBQOSA-N 1 0 295.471 2.131 10 0 CEAERO CCCc1[nH+]c2cc(N)ccc2n1CC(=O)NC(C)C ZINC000052852928 521542069 /nfs/dbraw/zinc/54/20/69/521542069.db2.gz VLUILTNVBRBNNB-UHFFFAOYSA-N 1 0 274.368 2.096 10 0 CEAERO CC[NH+]1CCC(N(C)Cc2ccnc(NC)c2)CC1 ZINC000052727962 521565277 /nfs/dbraw/zinc/56/52/77/521565277.db2.gz LSEWFTNZABNVII-UHFFFAOYSA-N 1 0 262.401 2.039 10 0 CEAERO CC[NH+]1CCC(N(C)c2nc3c(s2)[C@@H](O)CCC3)CC1 ZINC000054927998 521567449 /nfs/dbraw/zinc/56/74/49/521567449.db2.gz SKXOAIRVEKEYRY-ZDUSSCGKSA-N 1 0 295.452 2.433 10 0 CEAERO CCCN(CC(=O)OCC)Cc1cc(F)ccc1C[NH3+] ZINC000069401724 521573958 /nfs/dbraw/zinc/57/39/58/521573958.db2.gz RYAPFNFOIOWFFC-UHFFFAOYSA-N 1 0 282.359 2.060 10 0 CEAERO CCOc1ccccc1[C@@](O)([C@@H](C)[NH3+])C(F)(F)F ZINC000062784685 521580791 /nfs/dbraw/zinc/58/07/91/521580791.db2.gz KOZTTWWKRXAVOS-KCJUWKMLSA-N 1 0 263.259 2.182 10 0 CEAERO CC[NH+]1CCC(O)(Cc2cc(C)ccc2OC)CC1 ZINC000050705993 521582435 /nfs/dbraw/zinc/58/24/35/521582435.db2.gz QLICUSCRRRLVCN-UHFFFAOYSA-N 1 0 263.381 2.393 10 0 CEAERO CCS(=O)(=O)CC[C@H](C[NH2+]C(C)(C)C)C(C)C ZINC000052972684 521645797 /nfs/dbraw/zinc/64/57/97/521645797.db2.gz WFUGOTDZWDXLDA-GFCCVEGCSA-N 1 0 263.447 2.472 10 0 CEAERO CCCn1cc(Cl)cc1C(=O)NCC[C@H](C)[NH3+] ZINC000063169949 521653918 /nfs/dbraw/zinc/65/39/18/521653918.db2.gz FSHFECLBEXPVRG-VIFPVBQESA-N 1 0 257.765 2.019 10 0 CEAERO CCOC1CCN(c2nc(C)c([C@H](C)[NH3+])s2)CC1 ZINC000054896415 521657850 /nfs/dbraw/zinc/65/78/50/521657850.db2.gz SRYCNQTUSPOAGM-VIFPVBQESA-N 1 0 269.414 2.477 10 0 CEAERO CCCn1ccnc1[C@H]([NH3+])c1ccc2c(c1)CCO2 ZINC000050892633 521663670 /nfs/dbraw/zinc/66/36/70/521663670.db2.gz ZSELIVDOJWVZPU-CQSZACIVSA-N 1 0 257.337 2.276 10 0 CEAERO CCC1(C(=O)NC(C2CC2)C2CC2)CC[NH2+]CC1 ZINC000062849691 521665836 /nfs/dbraw/zinc/66/58/36/521665836.db2.gz NYJKCCAZXXFEFU-UHFFFAOYSA-N 1 0 250.386 2.071 10 0 CEAERO CCS(=O)(=O)c1ccc(N(C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000156797143 521688799 /nfs/dbraw/zinc/68/87/99/521688799.db2.gz FDOJIVBIXJEOLO-OAHLLOKOSA-N 1 0 298.452 2.290 10 0 CEAERO CCC1(CC)C[NH2+][C@@H](C(C)C)CN1Cc1ncccn1 ZINC000068704479 521690803 /nfs/dbraw/zinc/69/08/03/521690803.db2.gz MCLFHMQZBPXCLU-CQSZACIVSA-N 1 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SJUWBPJBKBLTOB-QGZVFWFLSA-N 1 0 276.424 2.305 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N(C)C1C2CC3CC(C2)CC1C3 ZINC000061317246 521931656 /nfs/dbraw/zinc/93/16/56/521931656.db2.gz DXSUTRVOMINORA-UHFFFAOYSA-N 1 0 264.413 2.268 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000061316833 521932468 /nfs/dbraw/zinc/93/24/68/521932468.db2.gz RIVTUOVZJMZOPI-UHFFFAOYSA-N 1 0 286.322 2.244 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N(Cc1ccc(F)cc1F)C1CC1 ZINC000061317172 521933433 /nfs/dbraw/zinc/93/34/33/521933433.db2.gz CYNWOHRGNFWKFI-UHFFFAOYSA-N 1 0 282.334 2.454 10 0 CEAERO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC(=O)N(C2CCCC2)C1=O ZINC000049093470 521939072 /nfs/dbraw/zinc/93/90/72/521939072.db2.gz AZQVCQMVPGXIPV-GMXVVIOVSA-N 1 0 266.385 2.081 10 0 CEAERO C[NH2+]C(C)(C)C(=O)Nc1ccccc1OC(C)C ZINC000061300625 521944512 /nfs/dbraw/zinc/94/45/12/521944512.db2.gz IQNCLYCJHPTVHX-UHFFFAOYSA-N 1 0 250.342 2.410 10 0 CEAERO COCC[C@H]([NH3+])c1nnc(C)n1C1CCCCC1 ZINC000052785697 521950831 /nfs/dbraw/zinc/95/08/31/521950831.db2.gz FMEYNWZFFXCZQD-LBPRGKRZSA-N 1 0 252.362 2.128 10 0 CEAERO C[NH2+]CC1(CN(C)Cc2ccc(F)cc2)CCOCC1 ZINC000052198203 521964998 /nfs/dbraw/zinc/96/49/98/521964998.db2.gz UEXIVQONPBRVFT-UHFFFAOYSA-N 1 0 280.387 2.274 10 0 CEAERO C[NH2+]CCCc1nnc(-c2cc(F)cc(F)c2)o1 ZINC000050616672 522001284 /nfs/dbraw/zinc/00/12/84/522001284.db2.gz VDPOWRMIOSUFBY-UHFFFAOYSA-N 1 0 253.252 2.167 10 0 CEAERO C[NH2+]CCc1noc(Cc2ccccc2Cl)n1 ZINC000051850840 522022815 /nfs/dbraw/zinc/02/28/15/522022815.db2.gz OUFSMJGZPUHYGP-UHFFFAOYSA-N 1 0 251.717 2.076 10 0 CEAERO C[NH2+]C[C@@H](CCCOC)Cc1ccc(OC)cc1 ZINC000052975773 522033696 /nfs/dbraw/zinc/03/36/96/522033696.db2.gz KHOMAJBZILLQOD-AWEZNQCLSA-N 1 0 251.370 2.500 10 0 CEAERO C[NH2+]C[C@@H](c1ccccc1)n1nnc(-c2ccccc2)n1 ZINC000052574710 522038270 /nfs/dbraw/zinc/03/82/70/522038270.db2.gz WJUXJGULSKHAQE-HNNXBMFYSA-N 1 0 279.347 2.149 10 0 CEAERO C[NH+](C)[C@@H]1CCN(Cc2ccc(N)cc2Cl)C1 ZINC000062964245 522053513 /nfs/dbraw/zinc/05/35/13/522053513.db2.gz GBXUWAJGVNLFSI-GFCCVEGCSA-N 1 0 253.777 2.058 10 0 CEAERO C[NH2+]C[C@@H]1OCCN(C)[C@@H]1c1cccc(OC(C)C)c1 ZINC000070284860 522060942 /nfs/dbraw/zinc/06/09/42/522060942.db2.gz NZWGEAJYLZRQGB-JKSUJKDBSA-N 1 0 278.396 2.065 10 0 CEAERO C[NH2+]C[C@H](CCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000052950216 522074192 /nfs/dbraw/zinc/07/41/92/522074192.db2.gz TZVLCTFBACXPOG-HOTGVXAUSA-N 1 0 295.448 2.280 10 0 CEAERO C[NH2+]C[C@H](OC[C@H]1CCOC1)c1ccc(F)cc1 ZINC000050501682 522078421 /nfs/dbraw/zinc/07/84/21/522078421.db2.gz CPPAIEFUWBHXRU-FZMZJTMJSA-N 1 0 253.317 2.139 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1C(=O)c1cc(F)ccc1F ZINC000063167688 522080376 /nfs/dbraw/zinc/08/03/76/522080376.db2.gz JSRZYLAHMGISIM-LLVKDONJSA-N 1 0 268.307 2.179 10 0 CEAERO C[NH2+]C[C@H]1CCN(c2cc(OC)c(Cl)cc2OC)C1 ZINC000053011964 522093088 /nfs/dbraw/zinc/09/30/88/522093088.db2.gz JCZYFDHCBBTPLH-SNVBAGLBSA-N 1 0 284.787 2.403 10 0 CEAERO C[NH2+]C[C@H]1CC[C@@H](CN(C)c2ccc(F)cc2)O1 ZINC000052540539 522094085 /nfs/dbraw/zinc/09/40/85/522094085.db2.gz CQNPIVSNXYQMKN-KGLIPLIRSA-N 1 0 252.333 2.029 10 0 CEAERO C[NH2+]C[C@H]1OCCN(C2CC2)[C@@H]1c1ccc(C)c(F)c1 ZINC000070289368 522098578 /nfs/dbraw/zinc/09/85/78/522098578.db2.gz PUSUFNIVWJZQLR-HZPDHXFCSA-N 1 0 278.371 2.258 10 0 CEAERO C[NH2+]Cc1c(C)nc(-c2ccc(OC)c(OC)c2)nc1C ZINC000054854061 522101294 /nfs/dbraw/zinc/10/12/94/522101294.db2.gz RHRCAABMWFLYOB-UHFFFAOYSA-N 1 0 287.363 2.497 10 0 CEAERO C[NH2+]Cc1cc(F)c(-n2nnc3ccccc32)c(F)c1 ZINC000062719596 522112210 /nfs/dbraw/zinc/11/22/10/522112210.db2.gz FPBZZTLPNRUWFP-UHFFFAOYSA-N 1 0 274.274 2.418 10 0 CEAERO CC[C@H](CC1CC1)NS(=O)(=O)c1ccc(CC[NH3+])cc1 ZINC000070106735 522118908 /nfs/dbraw/zinc/11/89/08/522118908.db2.gz UBKYXWVZJCKZBI-CQSZACIVSA-N 1 0 296.436 2.045 10 0 CEAERO CC[C@@H](C)N1CC[NH+]([C@@H]2CCCCCC[C@@H]2O)CC1 ZINC000055069806 522129858 /nfs/dbraw/zinc/12/98/58/522129858.db2.gz VZTUTRLKJHMYQV-OAGGEKHMSA-N 1 0 268.445 2.486 10 0 CEAERO CC[C@@H](C)[NH+]1CCN([C@H]2CCc3ccccc3[C@@H]2O)CC1 ZINC000055069444 522130626 /nfs/dbraw/zinc/13/06/26/522130626.db2.gz GVBZXMDHCPJUBA-JLSDUUJJSA-N 1 0 288.435 2.451 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(c2c(F)cc(N)cc2F)CC1 ZINC000055066680 522133913 /nfs/dbraw/zinc/13/39/13/522133913.db2.gz RLOCZPDGGBMJQM-SNVBAGLBSA-N 1 0 269.339 2.468 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(c2c(N)ccc(F)c2F)CC1 ZINC000055066652 522134625 /nfs/dbraw/zinc/13/46/25/522134625.db2.gz NEUGALKWPBKPOC-SNVBAGLBSA-N 1 0 269.339 2.468 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(c2ncc([C@H](C)O)s2)CC1 ZINC000055076438 522136103 /nfs/dbraw/zinc/13/61/03/522136103.db2.gz ZKLVXTOFWXIDNY-MNOVXSKESA-N 1 0 269.414 2.117 10 0 CEAERO C[NH2+]Cc1cn(CCOc2c(C)ccc(C)c2C)nn1 ZINC000052696978 522145567 /nfs/dbraw/zinc/14/55/67/522145567.db2.gz BCHQHLYBEDELSN-UHFFFAOYSA-N 1 0 274.368 2.002 10 0 CEAERO C[NH2+]Cc1nnnn1-c1c(Cl)cccc1C(F)(F)F ZINC000054744514 522156880 /nfs/dbraw/zinc/15/68/80/522156880.db2.gz VCLWJFXDLIWQNS-UHFFFAOYSA-N 1 0 291.664 2.054 10 0 CEAERO C[NH2+]Cc1sc(N2CCOC[C@H]2C)nc1C(C)(C)C ZINC000054997338 522166403 /nfs/dbraw/zinc/16/64/03/522166403.db2.gz VNIFJQRXCRFAEX-SNVBAGLBSA-N 1 0 283.441 2.385 10 0 CEAERO C[NH2+]Cc1sc(N2CCO[C@@H]3CCC[C@@H]32)nc1C1CC1 ZINC000069180401 522167877 /nfs/dbraw/zinc/16/78/77/522167877.db2.gz RWYDBGUZLZKNSM-NWDGAFQWSA-N 1 0 293.436 2.498 10 0 CEAERO CC[C@H](C[NH3+])C(=O)NCc1ccccc1C(F)(F)F ZINC000061626535 522172336 /nfs/dbraw/zinc/17/23/36/522172336.db2.gz YFHNNHFGAMSMLY-SECBINFHSA-N 1 0 274.286 2.307 10 0 CEAERO COc1cc(C)cc(OC)c1OC[C@@H]1CC[NH2+]C1 ZINC000051890746 522253306 /nfs/dbraw/zinc/25/33/06/522253306.db2.gz BBYMAGXHCMHBLG-LLVKDONJSA-N 1 0 251.326 2.001 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(F)cc1O[C@H](C)C(=O)N1CCCC1 ZINC000062746468 522332566 /nfs/dbraw/zinc/33/25/66/522332566.db2.gz POUBMJWCMNWKRL-NWDGAFQWSA-N 1 0 294.370 2.496 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(F)cc1OCc1nccn1C ZINC000062746252 522332740 /nfs/dbraw/zinc/33/27/40/522332740.db2.gz KSJOPXAPTDOEQW-JTQLQIEISA-N 1 0 263.316 2.419 10 0 CEAERO CC[C@H]([NH3+])Cc1c(C)nn(Cc2ccccn2)c1C ZINC000062803307 522332894 /nfs/dbraw/zinc/33/28/94/522332894.db2.gz XCDMXTDMGUQMHF-ZDUSSCGKSA-N 1 0 258.369 2.223 10 0 CEAERO CC[C@H]([NH3+])Cc1cnn(Cc2ccccc2OC)c1 ZINC000054741659 522335565 /nfs/dbraw/zinc/33/55/65/522335565.db2.gz XGHLBYBSVYXWBI-AWEZNQCLSA-N 1 0 259.353 2.220 10 0 CEAERO CC[C@H]([NH3+])Cc1nccn1Cc1ccc(OC)c(F)c1 ZINC000062802989 522337772 /nfs/dbraw/zinc/33/77/72/522337772.db2.gz JWQICCIOFXFIIV-LBPRGKRZSA-N 1 0 277.343 2.359 10 0 CEAERO CC[C@H]([NH3+])[C@@](O)(c1cc(F)cc(F)c1)C(F)(F)F ZINC000062784281 522341808 /nfs/dbraw/zinc/34/18/08/522341808.db2.gz NLQKNQMFJFFHKH-UWVGGRQHSA-N 1 0 269.213 2.452 10 0 CEAERO CC[C@H]([NH3+])[C@@](O)(c1ccccc1OC)C(F)(F)F ZINC000062784311 522342196 /nfs/dbraw/zinc/34/21/96/522342196.db2.gz CPNRFECNCIJTFX-QWRGUYRKSA-N 1 0 263.259 2.182 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C)c1sccc1C ZINC000061592653 522344968 /nfs/dbraw/zinc/34/49/68/522344968.db2.gz YNQAEYLCFDTLAF-WPRPVWTQSA-N 1 0 298.437 2.049 10 0 CEAERO CC[C@H]([NH3+])[C@](O)(c1cc(F)cc(F)c1)C(F)(F)F ZINC000062784283 522347240 /nfs/dbraw/zinc/34/72/40/522347240.db2.gz NLQKNQMFJFFHKH-VHSXEESVSA-N 1 0 269.213 2.452 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1cnn(C)c1)N1Cc2ccccc2C1 ZINC000050910108 522347458 /nfs/dbraw/zinc/34/74/58/522347458.db2.gz POFCEXVZEBCJMZ-HOTGVXAUSA-N 1 0 270.380 2.214 10 0 CEAERO C[NH2+][C@@H](C[C@H]1CCCO1)c1ccc2c(c1)OCCO2 ZINC000055223559 522360402 /nfs/dbraw/zinc/36/04/02/522360402.db2.gz KMDVCPZUNLURDW-OLZOCXBDSA-N 1 0 263.337 2.287 10 0 CEAERO CN(C)c1nccc(N2CCC[C@H](C[NH2+]C(C)(C)C)C2)n1 ZINC000068690255 522362118 /nfs/dbraw/zinc/36/21/18/522362118.db2.gz KMVAWGMZPGPURW-CYBMUJFWSA-N 1 0 291.443 2.147 10 0 CEAERO C[NH2+][C@@H](Cc1cnn(C)c1)c1cc(F)c(F)c(F)c1 ZINC000050543171 522362478 /nfs/dbraw/zinc/36/24/78/522362478.db2.gz FOPRKPOHTPELJY-LBPRGKRZSA-N 1 0 269.270 2.341 10 0 CEAERO CN(C)c1nccc(N2CCC(C[NH2+]C(C)(C)C)CC2)n1 ZINC000068690229 522362554 /nfs/dbraw/zinc/36/25/54/522362554.db2.gz CQTCFOJSJJTACL-UHFFFAOYSA-N 1 0 291.443 2.147 10 0 CEAERO CN(C)c1nccc(N2CCCC[C@H]2C[NH2+]C(C)(C)C)n1 ZINC000068690244 522362742 /nfs/dbraw/zinc/36/27/42/522362742.db2.gz LONLDPXVZQMLCS-ZDUSSCGKSA-N 1 0 291.443 2.290 10 0 CEAERO C[NH2+][C@@H](c1ccc(OC)cc1Cl)[C@@H]1COCCO1 ZINC000055300793 522369283 /nfs/dbraw/zinc/36/92/83/522369283.db2.gz WIHOLQGGVOPUFU-STQMWFEESA-N 1 0 271.744 2.025 10 0 CEAERO C[NH2+][C@@H](c1ccc(OC)cc1OC)[C@@H]1CCCOC1 ZINC000062231371 522369442 /nfs/dbraw/zinc/36/94/42/522369442.db2.gz VERGEBKQXGSSFD-IAQYHMDHSA-N 1 0 265.353 2.391 10 0 CEAERO C[NH2+][C@@H]1CCCc2nc(N(C)CCCOC)sc21 ZINC000062037711 522391206 /nfs/dbraw/zinc/39/12/06/522391206.db2.gz MJMOQRSNCHDOHT-SNVBAGLBSA-N 1 0 269.414 2.213 10 0 CEAERO C[NH2+][C@@H]1CCN(c2cc(Br)ccc2OC)C1 ZINC000049568587 522394945 /nfs/dbraw/zinc/39/49/45/522394945.db2.gz ZEBJAMDQJFWBRV-SNVBAGLBSA-N 1 0 285.185 2.256 10 0 CEAERO C[NH2+][C@H](C)c1cccc(NC(=O)[C@@H]2CCCCO2)c1 ZINC000050959781 522450843 /nfs/dbraw/zinc/45/08/43/522450843.db2.gz GZSRHOANSFCMHE-RISCZKNCSA-N 1 0 262.353 2.475 10 0 CEAERO C[NH2+][C@H](C)c1nnc(-c2ccc(Br)o2)o1 ZINC000050618608 522452959 /nfs/dbraw/zinc/45/29/59/522452959.db2.gz ALRBXXZDXFWPFJ-RXMQYKEDSA-N 1 0 272.102 2.373 10 0 CEAERO C[NH2+][C@H](Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000050542677 522475858 /nfs/dbraw/zinc/47/58/58/522475858.db2.gz QAWMZTQAEOLNJX-AWEZNQCLSA-N 1 0 263.772 2.447 10 0 CEAERO C[NH2+][C@H]1CC(C)(C)Cc2nc(N3CCOCC3)sc21 ZINC000054900032 522488188 /nfs/dbraw/zinc/48/81/88/522488188.db2.gz NNWQZLIPFVGIDL-JTQLQIEISA-N 1 0 281.425 2.213 10 0 CEAERO CC[C@@H](CC[NH3+])NC(=O)c1cccc(OC(C)C)c1 ZINC000061665829 522498162 /nfs/dbraw/zinc/49/81/62/522498162.db2.gz ONNSZTSPNRLSCI-ZDUSSCGKSA-N 1 0 264.369 2.331 10 0 CEAERO CCc1nc2ccccc2n1CC[NH2+][C@@H](C)COC ZINC000062808179 522500756 /nfs/dbraw/zinc/50/07/56/522500756.db2.gz ZEONDDWBISTOMH-LBPRGKRZSA-N 1 0 261.369 2.223 10 0 CEAERO C[NH2+][C@H]1CCc2c1cccc2OCc1cnn(C)c1 ZINC000062799065 522505348 /nfs/dbraw/zinc/50/53/48/522505348.db2.gz YYMFCYFOHIVUGP-AWEZNQCLSA-N 1 0 257.337 2.206 10 0 CEAERO C[NH2+][C@H]1CCc2c1cccc2OCCn1cccn1 ZINC000062798951 522505551 /nfs/dbraw/zinc/50/55/51/522505551.db2.gz KHASZATYKMXOBL-AWEZNQCLSA-N 1 0 257.337 2.169 10 0 CEAERO C[NH2+][C@H]1COc2cc(OC[C@@H](O)c3ccccc3)ccc21 ZINC000062804278 522508154 /nfs/dbraw/zinc/50/81/54/522508154.db2.gz WKKFXWKDFWKXSP-JKSUJKDBSA-N 1 0 285.343 2.452 10 0 CEAERO C[NH2+][C@H]1COc2cc(O[C@@H]3CCCC[C@@H]3O)ccc21 ZINC000062804290 522508294 /nfs/dbraw/zinc/50/82/94/522508294.db2.gz QLDCCDQGOIJWLY-MELADBBJSA-N 1 0 263.337 2.022 10 0 CEAERO CN[C@](C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)(C(=O)OC)C1CC1 ZINC000069100577 522527427 /nfs/dbraw/zinc/52/74/27/522527427.db2.gz SQWISVRJIUQAMN-VBQJREDUSA-N 1 0 294.439 2.040 10 0 CEAERO CC[C@H]([NH2+]C)[C@@H](C)Oc1cc(OC)cc(OC)c1 ZINC000068967410 522555748 /nfs/dbraw/zinc/55/57/48/522555748.db2.gz OBCDZWZLPOXIPB-YGRLFVJLSA-N 1 0 253.342 2.469 10 0 CEAERO COC[C@H](C)N(C)Cc1cc(C[NH2+]C(C)(C)C)no1 ZINC000052511605 522593210 /nfs/dbraw/zinc/59/32/10/522593210.db2.gz PXABGGPDNKOISM-NSHDSACASA-N 1 0 269.389 2.029 10 0 CEAERO CNc1ccc(C[N@H+](CCOC)[C@H](C)C2CC2)cn1 ZINC000050816727 522607221 /nfs/dbraw/zinc/60/72/21/522607221.db2.gz GJGFORZXHZKXQW-GFCCVEGCSA-N 1 0 263.385 2.370 10 0 CEAERO CNc1ccc(Cl)c(CN(C)[C@H]2CCC[N@H+](C)C2)n1 ZINC000061639136 522623533 /nfs/dbraw/zinc/62/35/33/522623533.db2.gz GTKDWQMKHIMEER-NSHDSACASA-N 1 0 282.819 2.303 10 0 CEAERO COC[C@H](C)OC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000070204864 522630965 /nfs/dbraw/zinc/63/09/65/522630965.db2.gz PRWVGTWUVCYLDW-AAEUAGOBSA-N 1 0 251.326 2.045 10 0 CEAERO COC[C@H](C)OC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000070204869 522631009 /nfs/dbraw/zinc/63/10/09/522631009.db2.gz PRWVGTWUVCYLDW-WCQYABFASA-N 1 0 251.326 2.045 10 0 CEAERO CC[C@@H]([NH3+])Cc1cccc(OC)c1O[C@H]1CCOC1 ZINC000070072716 522643706 /nfs/dbraw/zinc/64/37/06/522643706.db2.gz WOSSDNJKRNGDAP-OLZOCXBDSA-N 1 0 265.353 2.143 10 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COCC[NH2+]C[C@H]1C[C@@]1(C)c1c(F)cccc1F ZINC000054598882 523944409 /nfs/dbraw/zinc/94/44/09/523944409.db2.gz ULTLWLLXJJOUEL-QMTHXVAHSA-N 1 0 255.308 2.478 10 0 CEAERO COCC[NH2+]Cc1cc(F)ccc1N(C)C(C)C ZINC000062734552 523950344 /nfs/dbraw/zinc/95/03/44/523950344.db2.gz JVFWBFAAQOJYRN-UHFFFAOYSA-N 1 0 254.349 2.406 10 0 CEAERO CC[C@H](C)[NH+]1CCN(CC2(CO)CCCCC2)CC1 ZINC000055072907 523953577 /nfs/dbraw/zinc/95/35/77/523953577.db2.gz RUARIVILMBDXTF-HNNXBMFYSA-N 1 0 268.445 2.345 10 0 CEAERO COCC[NH2+]Cc1sc(N2CCC[C@@H]2C)nc1C ZINC000054968900 523958595 /nfs/dbraw/zinc/95/85/95/523958595.db2.gz HXWODCQNHMAMMB-JTQLQIEISA-N 1 0 269.414 2.176 10 0 CEAERO CC[C@H](C)[NH+]1CCN([C@H]2CCCCCC2=O)CC1 ZINC000055064227 523959588 /nfs/dbraw/zinc/95/95/88/523959588.db2.gz SCPDHZBACWRRQR-KBPBESRZSA-N 1 0 252.402 2.304 10 0 CEAERO CC[C@H](C)[NH+]1CCN(c2cc(F)ccc2N)CC1 ZINC000055066672 523960243 /nfs/dbraw/zinc/96/02/43/523960243.db2.gz KTTWEHQYDXYGEL-NSHDSACASA-N 1 0 251.349 2.328 10 0 CEAERO C[N@@H+]1CC[C@@H](CNCc2cc(F)c(F)c(F)c2)C1 ZINC000062707787 523961728 /nfs/dbraw/zinc/96/17/28/523961728.db2.gz GDBVOSQXOQTBCU-VIFPVBQESA-N 1 0 258.287 2.145 10 0 CEAERO COC(=O)[C@](C[N@@H+]1CCCC1(C)C)(NC(C)C)C1CC1 ZINC000069232881 524004513 /nfs/dbraw/zinc/00/45/13/524004513.db2.gz XHNDDXDSSVFCGN-MRXNPFEDSA-N 1 0 282.428 2.181 10 0 CEAERO COCCO[C@H](C[NH2+]C1CC1)c1ccccc1F ZINC000050495986 524034233 /nfs/dbraw/zinc/03/42/33/524034233.db2.gz LXCIXKRINYGWQU-CQSZACIVSA-N 1 0 253.317 2.282 10 0 CEAERO CNC(=O)CCCOc1ccc(CC[C@H](C)[NH2+]C)cc1 ZINC000068816343 524065463 /nfs/dbraw/zinc/06/54/63/524065463.db2.gz BWTJDZGJPMCNJM-ZDUSSCGKSA-N 1 0 278.396 2.132 10 0 CEAERO COc1ccc(C[NH2+]C(C)(C)C)cc1OCC(=O)N(C)C ZINC000062732434 524068898 /nfs/dbraw/zinc/06/88/98/524068898.db2.gz PMQUGSFKPXKIPS-UHFFFAOYSA-N 1 0 294.395 2.050 10 0 CEAERO COc1ccc(C[NH2+]C[C@@H](C)CSC)cc1O ZINC000069435718 524071747 /nfs/dbraw/zinc/07/17/47/524071747.db2.gz XKACQYWMZRAZFM-SNVBAGLBSA-N 1 0 255.383 2.490 10 0 CEAERO CNC(=O)[C@@H](C)Oc1ccc(C[NH2+]C(C)(C)C)cc1OC ZINC000062731779 524080794 /nfs/dbraw/zinc/08/07/94/524080794.db2.gz OXUBFLSIWWQIBJ-LLVKDONJSA-N 1 0 294.395 2.097 10 0 CEAERO Cc1ccc(C)c(C(=O)[C@H](C)N2CCC[NH2+]CC2)c1 ZINC000050499181 524088631 /nfs/dbraw/zinc/08/86/31/524088631.db2.gz IDSRJKGYFZACSR-AWEZNQCLSA-N 1 0 260.381 2.170 10 0 CEAERO C[C@H]1CCC[NH2+][C@@H]1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000051790728 524124303 /nfs/dbraw/zinc/12/43/03/524124303.db2.gz NOXTUPHEPGONTD-INRQWTSDSA-N 1 0 276.424 2.460 10 0 CEAERO C[C@@H]1CCCC[C@@H]1[N@H+](C)CC1(CO)CCOCC1 ZINC000052199763 524132192 /nfs/dbraw/zinc/13/21/92/524132192.db2.gz REYMBVLAVYYHJB-KGLIPLIRSA-N 1 0 255.402 2.286 10 0 CEAERO C[C@H]1CCC[C@@H](C[NH3+])N1Cc1nc(C(C)(C)C)no1 ZINC000070155226 524134001 /nfs/dbraw/zinc/13/40/01/524134001.db2.gz QYHMGXVWSBLREG-QWRGUYRKSA-N 1 0 266.389 2.069 10 0 CEAERO C[C@H]1CCC[C@@H](C[NH3+])N1c1ncnc2ccccc21 ZINC000070158088 524136110 /nfs/dbraw/zinc/13/61/10/524136110.db2.gz UJWGFIOTQAKXGR-RYUDHWBXSA-N 1 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SCIICTKZYRWRBT-ZJUUUORDSA-N 1 0 268.307 2.083 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C)N1C(=O)Cc1ccc(Cl)cc1 ZINC000069132841 524695886 /nfs/dbraw/zinc/69/58/86/524695886.db2.gz SDNGVDFHGLJAJP-QWRGUYRKSA-N 1 0 266.772 2.091 10 0 CEAERO Cc1cc(CN2CC[NH+](CC(C)C)CC2)ccc1N ZINC000055083670 524696825 /nfs/dbraw/zinc/69/68/25/524696825.db2.gz SINIKDUSBJKBJN-UHFFFAOYSA-N 1 0 261.413 2.351 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C)N1C(=O)c1cccc(Cl)c1 ZINC000069133076 524699998 /nfs/dbraw/zinc/69/99/98/524699998.db2.gz ZQPFXGANXNECEE-UWVGGRQHSA-N 1 0 252.745 2.162 10 0 CEAERO C[C@H]1COCCN1Cc1ccccc1C[NH2+]C1CC1 ZINC000052476106 524725360 /nfs/dbraw/zinc/72/53/60/524725360.db2.gz BIFHMQYUJSDBLD-ZDUSSCGKSA-N 1 0 260.381 2.159 10 0 CEAERO C[C@@H]1CCc2ccccc2N1CCN1CCC[NH2+]CC1 ZINC000061274916 524730807 /nfs/dbraw/zinc/73/08/07/524730807.db2.gz VNTABZOFVBTTHJ-OAHLLOKOSA-N 1 0 273.424 2.123 10 0 CEAERO C[C@@H](C[NH2+]Cc1ccc(O)c(Br)c1)N(C)C ZINC000062702743 524743542 /nfs/dbraw/zinc/74/35/42/524743542.db2.gz MSKFMYMNRKBDQV-VIFPVBQESA-N 1 0 287.201 2.194 10 0 CEAERO C[C@H](Cc1ccco1)[NH2+][C@@H]1CCCc2c1cnn2CCO ZINC000062771684 524746415 /nfs/dbraw/zinc/74/64/15/524746415.db2.gz ACBUKPVHVPNUHA-IUODEOHRSA-N 1 0 289.379 2.067 10 0 CEAERO C[C@H](Cc1ccsc1)[NH2+]C[C@H](O)COC(C)(C)C ZINC000049182115 524760727 /nfs/dbraw/zinc/76/07/27/524760727.db2.gz BIFBWKQYANESTB-YPMHNXCESA-N 1 0 271.426 2.445 10 0 CEAERO Cc1cccc(O[C@@H](C)C[C@](C)([NH2+]C2CC2)C(N)=O)c1 ZINC000068656212 524776620 /nfs/dbraw/zinc/77/66/20/524776620.db2.gz YRWCCWBEURXZJR-LRDDRELGSA-N 1 0 276.380 2.148 10 0 CEAERO Cc1ccc(F)c(C(=O)N(CCC[NH3+])C2CC2)c1 ZINC000052980497 524783611 /nfs/dbraw/zinc/78/36/11/524783611.db2.gz WAPSNWVGFCGMKG-UHFFFAOYSA-N 1 0 250.317 2.088 10 0 CEAERO Cc1ccc(F)c(C(=O)N[C@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000052981614 524798257 /nfs/dbraw/zinc/79/82/57/524798257.db2.gz IKCXHXQXENJRBS-BXUZGUMPSA-N 1 0 264.344 2.395 10 0 CEAERO Cc1cc(C[C@@H](C[NH3+])C(=O)N2CCCCC2)ccc1F ZINC000050544425 524829557 /nfs/dbraw/zinc/82/95/57/524829557.db2.gz LILFHOGYITVEEB-AWEZNQCLSA-N 1 0 278.371 2.264 10 0 CEAERO C[C@H]([NH3+])Cc1nccn1Cc1ccc2ccccc2n1 ZINC000062802835 524835524 /nfs/dbraw/zinc/83/55/24/524835524.db2.gz HHEXHGRPCRNZNC-LBPRGKRZSA-N 1 0 266.348 2.369 10 0 CEAERO C[C@H]([NH3+])[C@H](OCc1ccccc1F)c1cnn(C)c1 ZINC000069282136 524854307 /nfs/dbraw/zinc/85/43/07/524854307.db2.gz MFTLYLOODMFPCK-HZMBPMFUSA-N 1 0 263.316 2.164 10 0 CEAERO C[C@@H](C[C@](C)([NH2+]C1CC1)C(=O)[O-])[N@H+](C)CC1CCCC1 ZINC000068646968 524861946 /nfs/dbraw/zinc/86/19/46/524861946.db2.gz XIZOQHBEXLMYRX-LRDDRELGSA-N 1 0 282.428 2.482 10 0 CEAERO Cc1ccc(N(C)CCn2cc(C[NH2+]C(C)C)nn2)cc1 ZINC000052509521 524886843 /nfs/dbraw/zinc/88/68/43/524886843.db2.gz BHIHIQHALSGPNP-UHFFFAOYSA-N 1 0 287.411 2.221 10 0 CEAERO COc1ccc(OC)c([C@@H]([NH3+])Cc2ccncc2)c1 ZINC000055234846 524887421 /nfs/dbraw/zinc/88/74/21/524887421.db2.gz JHCKZLTYROTOBO-AWEZNQCLSA-N 1 0 258.321 2.341 10 0 CEAERO C[C@@H](Cc1cccc(Cl)c1)[NH2+]Cc1cn(C)nn1 ZINC000054859672 524903120 /nfs/dbraw/zinc/90/31/20/524903120.db2.gz DVEZGEWSNVNWEY-JTQLQIEISA-N 1 0 264.760 2.189 10 0 CEAERO COc1ccc(OC)c([C@H]([NH3+])C[C@H]2CCCO2)c1 ZINC000055234641 524908504 /nfs/dbraw/zinc/90/85/04/524908504.db2.gz UBAQSLMYHBINAJ-DGCLKSJQSA-N 1 0 251.326 2.273 10 0 CEAERO C[C@@H](Cc1ccco1)[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC000062771619 524927526 /nfs/dbraw/zinc/92/75/26/524927526.db2.gz XIGPIAQSRHNVGK-LBPRGKRZSA-N 1 0 276.380 2.201 10 0 CEAERO C[C@H](NC(=O)CC[C@@H]1CCCC[NH2+]1)c1ccco1 ZINC000050942218 524935545 /nfs/dbraw/zinc/93/55/45/524935545.db2.gz RKGIAZUUESLNBR-RYUDHWBXSA-N 1 0 250.342 2.379 10 0 CEAERO Cc1cc(F)ccc1C[C@H](C[NH3+])C(=O)NC(C)(C)C ZINC000050568823 524981817 /nfs/dbraw/zinc/98/18/17/524981817.db2.gz UEHJRCKPJZXPNN-GFCCVEGCSA-N 1 0 266.360 2.166 10 0 CEAERO C[C@@H]([NH3+])Cc1c(N2CCSC[C@@H]2C)nc2ccccn21 ZINC000070222383 524998347 /nfs/dbraw/zinc/99/83/47/524998347.db2.gz UACNNHZFLZEZLI-NEPJUHHUSA-N 1 0 290.436 2.166 10 0 CEAERO C[C@@H]([NH3+])Cc1noc(Cc2cccc(Cl)c2)n1 ZINC000054161130 525003094 /nfs/dbraw/zinc/00/30/94/525003094.db2.gz GJTIJTOVOZKCJV-MRVPVSSYSA-N 1 0 251.717 2.204 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccccc1F)N1CCC[C@@H]1CCCO ZINC000052757580 525018789 /nfs/dbraw/zinc/01/87/89/525018789.db2.gz ORSXLDSZVIORON-XJKCOSOUSA-N 1 0 280.387 2.451 10 0 CEAERO C[C@@H]([NH3+])c1ccc(OCCCO)c(Br)c1 ZINC000061699352 525028688 /nfs/dbraw/zinc/02/86/88/525028688.db2.gz MFMFWIFYNNLERI-MRVPVSSYSA-N 1 0 274.158 2.230 10 0 CEAERO Cc1cc(N)cnc1N1CC[NH+](C2CCCC2)CC1 ZINC000052813568 525040035 /nfs/dbraw/zinc/04/00/35/525040035.db2.gz GVCXZIJFFPNIFW-UHFFFAOYSA-N 1 0 260.385 2.037 10 0 CEAERO C[C@@H]1C[N@@H+]([C@@H](CC(N)=S)c2ccccc2)CCO1 ZINC000055024453 525057020 /nfs/dbraw/zinc/05/70/20/525057020.db2.gz GGZIOEJAIZSWDC-YPMHNXCESA-N 1 0 264.394 2.125 10 0 CEAERO C[C@@H]1CN([C@@H]2C[NH2+]Cc3ccccc32)CC(C)(C)O1 ZINC000069266796 525059961 /nfs/dbraw/zinc/05/99/61/525059961.db2.gz FRWSCWWQTGZOBX-IUODEOHRSA-N 1 0 260.381 2.330 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DYOURRLQEDSIMJ-KKUMJFAQSA-N 1 0 280.412 2.079 10 0 CEAERO c1nc(N2CCCSCC2)sc1C[NH2+]C1CC1 ZINC000054909468 526600399 /nfs/dbraw/zinc/60/03/99/526600399.db2.gz CZSSTCQAZZYRQK-UHFFFAOYSA-N 1 0 269.439 2.338 10 0 CEAERO Cc1nc(C)c([C@@H](C)NC(=O)CC[C@H](C)[NH3+])s1 ZINC000070317318 526742441 /nfs/dbraw/zinc/74/24/41/526742441.db2.gz IZKULPLURFOZKL-IONNQARKSA-N 1 0 255.387 2.065 10 0 CEAERO Cc1oc(CN2CCN(C)CC2)cc1C[NH2+]CC(C)C ZINC000052379319 526772229 /nfs/dbraw/zinc/77/22/29/526772229.db2.gz OMKWSLVXUOFBTD-UHFFFAOYSA-N 1 0 279.428 2.081 10 0 CEAERO NC(=[NH2+])c1cc(Cl)ccc1N(CCO)C1CCCC1 ZINC000052860158 526820842 /nfs/dbraw/zinc/82/08/42/526820842.db2.gz SWIDBSQAXAWLIV-UHFFFAOYSA-N 1 0 281.787 2.365 10 0 CEAERO NC(=[NH2+])c1ccc(Cl)cc1N(CCO)C1CCCC1 ZINC000062788921 526821964 /nfs/dbraw/zinc/82/19/64/526821964.db2.gz OOYGXRNLMOLROE-UHFFFAOYSA-N 1 0 281.787 2.365 10 0 CEAERO Cc1nc(Cl)cc(N(CC[NH+](C)C)CC(C)C)n1 ZINC000052837134 526932979 /nfs/dbraw/zinc/93/29/79/526932979.db2.gz ICOGCZGSKIDPNF-UHFFFAOYSA-N 1 0 270.808 2.462 10 0 CEAERO Cc1nc(Cc2ccccn2)nc(C)c1C[NH2+]C1CC1 ZINC000054854376 526929355 /nfs/dbraw/zinc/92/93/55/526929355.db2.gz VSSBHUGAXBIJNZ-UHFFFAOYSA-N 1 0 268.364 2.331 10 0 CEAERO Cc1nc(N2CCC([NH+]3CCCCC3)CC2)sc1CO ZINC000055003734 526963559 /nfs/dbraw/zinc/96/35/59/526963559.db2.gz WVBOSMQNXWSHGI-UHFFFAOYSA-N 1 0 295.452 2.399 10 0 CEAERO Cc1nc(N2CCO[C@@H]3CCCC[C@@H]32)sc1C[NH3+] ZINC000055001788 526972170 /nfs/dbraw/zinc/97/21/70/526972170.db2.gz QSOJLZNTWIKPIY-WDEREUQCSA-N 1 0 267.398 2.058 10 0 CEAERO NC(=O)[C@H]([NH2+]C[C@H]1CCCO1)c1csc2ccccc21 ZINC000054464868 526996981 /nfs/dbraw/zinc/99/69/81/526996981.db2.gz BNBIXGMVEKFDEZ-QMTHXVAHSA-N 1 0 290.388 2.196 10 0 CEAERO O=C1CCc2cc(OCCC[NH2+]C3CC3)ccc2N1 ZINC000062367573 526997572 /nfs/dbraw/zinc/99/75/72/526997572.db2.gz AQKMQIIRWICVOG-UHFFFAOYSA-N 1 0 260.337 2.092 10 0 CEAERO Clc1nc(Cl)nc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)n1 ZINC000061518752 527003268 /nfs/dbraw/zinc/00/32/68/527003268.db2.gz ZSVWWAUOVSGFKH-YUMQZZPRSA-N 1 0 288.182 2.217 10 0 CEAERO Clc1nc(Cl)nc(OCC[NH+]2CCCCC2)n1 ZINC000061517903 527004309 /nfs/dbraw/zinc/00/43/09/527004309.db2.gz OLIFNSVKJPQBIN-UHFFFAOYSA-N 1 0 277.155 2.043 10 0 CEAERO NC(=O)c1ccc(Cl)cc1OCC[C@H]1CCC[NH2+]C1 ZINC000062786613 527053254 /nfs/dbraw/zinc/05/32/54/527053254.db2.gz QJYQSFGXTWQNCF-SNVBAGLBSA-N 1 0 282.771 2.207 10 0 CEAERO NC(=S)c1ccc(NCC[NH+]2CCCCC2)c(F)c1 ZINC000049575548 527119786 /nfs/dbraw/zinc/11/97/86/527119786.db2.gz NKLIZLAFCABHPA-UHFFFAOYSA-N 1 0 281.400 2.358 10 0 CEAERO [NH3+]C1CCN(Cc2nc(Cl)ccc2Cl)CC1 ZINC000061630428 527144321 /nfs/dbraw/zinc/14/43/21/527144321.db2.gz JPFITKUMBRUBQS-UHFFFAOYSA-N 1 0 260.168 2.312 10 0 CEAERO Cc1nc2ccccc2n(CC[NH2+]CC2CCCC2)c1=O ZINC000053537484 527161913 /nfs/dbraw/zinc/16/19/13/527161913.db2.gz UUEVXGBXBWATJW-UHFFFAOYSA-N 1 0 285.391 2.485 10 0 CEAERO [NH3+]CCCSCC(=O)Nc1ccccc1Cl ZINC000058249979 527181201 /nfs/dbraw/zinc/18/12/01/527181201.db2.gz KXCJTTPWYUYPCT-UHFFFAOYSA-N 1 0 258.774 2.361 10 0 CEAERO [NH3+]CC[C@H](Sc1nnnn1C1CC1)c1ccccc1 ZINC000055019505 527193044 /nfs/dbraw/zinc/19/30/44/527193044.db2.gz MSFRYJNTKRMQPU-LBPRGKRZSA-N 1 0 275.381 2.190 10 0 CEAERO [NH3+]CCc1ccccc1C(=O)Nc1ccc(O)c(F)c1 ZINC000070330193 527197697 /nfs/dbraw/zinc/19/76/97/527197697.db2.gz OMMKUAKLNOKXSM-UHFFFAOYSA-N 1 0 274.295 2.285 10 0 CEAERO [NH3+]CCc1ccnc(-c2nccc3ccccc32)n1 ZINC000069316267 527197852 /nfs/dbraw/zinc/19/78/52/527197852.db2.gz YDDWEACGFKVKLF-UHFFFAOYSA-N 1 0 250.305 2.193 10 0 CEAERO [NH3+]CCc1cnc(Cc2ccc(F)cc2Cl)nc1 ZINC000062609349 527197871 /nfs/dbraw/zinc/19/78/71/527197871.db2.gz XFXCHMDLBUNGSQ-UHFFFAOYSA-N 1 0 265.719 2.361 10 0 CEAERO [NH3+]CCc1cnc(C2(c3ccccc3)CCOCC2)nc1 ZINC000062784164 527198028 /nfs/dbraw/zinc/19/80/28/527198028.db2.gz CTUCWRGEYPRWCJ-UHFFFAOYSA-N 1 0 283.375 2.074 10 0 CEAERO Cc1nc[nH]c1C[NH2+]CCc1cc(F)cc(F)c1 ZINC000054797590 527213402 /nfs/dbraw/zinc/21/34/02/527213402.db2.gz OENHPYFVUKFGNS-UHFFFAOYSA-N 1 0 251.280 2.329 10 0 CEAERO [NH3+]C[C@H](Cc1ccccc1)NC(=O)CC[C@@H]1CCCCO1 ZINC000069405606 527224873 /nfs/dbraw/zinc/22/48/73/527224873.db2.gz LUMQBNBWHFJBBD-HOTGVXAUSA-N 1 0 290.407 2.022 10 0 CEAERO O=C(Cc1ccc(O)cc1)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000069052649 527240794 /nfs/dbraw/zinc/24/07/94/527240794.db2.gz ISMOCERTWHPUOU-UHFFFAOYSA-N 1 0 282.343 2.219 10 0 CEAERO [NH3+]C[C@H]1CC[C@H](COCc2ccccc2Cl)O1 ZINC000052623072 527241018 /nfs/dbraw/zinc/24/10/18/527241018.db2.gz MCLIQPLHDOYBHW-VXGBXAGGSA-N 1 0 255.745 2.363 10 0 CEAERO [NH3+]C[C@]1(Cc2cc(F)ccc2Br)CCOC1 ZINC000054637613 527241672 /nfs/dbraw/zinc/24/16/72/527241672.db2.gz IIBAMOGHZLXRLW-GFCCVEGCSA-N 1 0 288.160 2.496 10 0 CEAERO [NH3+]Cc1c(F)cccc1OCCOCC(F)(F)F ZINC000049310452 527244061 /nfs/dbraw/zinc/24/40/61/527244061.db2.gz ORCGDLXRBJDAIK-UHFFFAOYSA-N 1 0 267.222 2.242 10 0 CEAERO [NH3+]Cc1cc(Sc2nnc3n2CCCCC3)ccn1 ZINC000061812306 527250887 /nfs/dbraw/zinc/25/08/87/527250887.db2.gz PJJFCRBKUVLETQ-UHFFFAOYSA-N 1 0 275.381 2.009 10 0 CEAERO Cc1ncc(CNCC[C@H]2CCCC[N@H+]2C)s1 ZINC000052205830 527270310 /nfs/dbraw/zinc/27/03/10/527270310.db2.gz HKACKLXYBPKNDS-GFCCVEGCSA-N 1 0 253.415 2.416 10 0 CEAERO NNc1ccc(C(=O)N(Cc2ccsc2)C2CC2)c[nH+]1 ZINC000051115635 527275595 /nfs/dbraw/zinc/27/55/95/527275595.db2.gz OTPJCGWOORTGNS-UHFFFAOYSA-N 1 0 288.376 2.234 10 0 CEAERO NNc1[nH+]c(-c2ccc3ncccc3c2)nc2c1CCC2 ZINC000062802590 527285228 /nfs/dbraw/zinc/28/52/28/527285228.db2.gz PXLAOVYIFWMWHO-UHFFFAOYSA-N 1 0 277.331 2.466 10 0 CEAERO NNc1[nH+]cc(C(=O)NC2CCCCC2)cc1Cl ZINC000051093716 527286448 /nfs/dbraw/zinc/28/64/48/527286448.db2.gz RMWHTNSAINPCQC-UHFFFAOYSA-N 1 0 268.748 2.083 10 0 CEAERO NNc1[nH+]cc(C(=O)NCCc2ccsc2)cc1Cl ZINC000051120042 527287548 /nfs/dbraw/zinc/28/75/48/527287548.db2.gz BTLYEUNFRDAAPI-UHFFFAOYSA-N 1 0 296.783 2.055 10 0 CEAERO O=S1(=O)CCC[C@H]([NH2+][C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000069142726 527304469 /nfs/dbraw/zinc/30/44/69/527304469.db2.gz BRQGNYCKDPJIIX-GJZGRUSLSA-N 1 0 297.395 2.444 10 0 CEAERO [NH3+][C@@H](c1ccccc1)[C@@H](O)c1ccc2c(c1)OCCO2 ZINC000054681938 527339293 /nfs/dbraw/zinc/33/92/93/527339293.db2.gz QNPDAQVEUMGMTF-HOTGVXAUSA-N 1 0 271.316 2.191 10 0 CEAERO [NH3+][C@H](c1ccc2c(c1)OCCCO2)[C@H]1CCCOC1 ZINC000062230478 527391086 /nfs/dbraw/zinc/39/10/86/527391086.db2.gz XOPTYCRNDVZALT-SWLSCSKDSA-N 1 0 263.337 2.274 10 0 CEAERO Cn1cccc1[C@H]1CCCCCN1C(=O)[C@H]1CC[NH2+]C1 ZINC000062114628 527408653 /nfs/dbraw/zinc/40/86/53/527408653.db2.gz ZQZHGRRHTAGYIE-DZGCQCFKSA-N 1 0 275.396 2.078 10 0 CEAERO Cc1nccn1CCN1C[C@@H](C(C)C)[NH2+]C[C@@H]1C(C)C ZINC000068702799 527427408 /nfs/dbraw/zinc/42/74/08/527427408.db2.gz MLHRQIZVAFTHEB-JKSUJKDBSA-N 1 0 278.444 2.146 10 0 CEAERO Nc1ccc(Cl)c(CN2CC[C@H]([NH+]3CCCCC3)C2)n1 ZINC000062969569 527485979 /nfs/dbraw/zinc/48/59/79/527485979.db2.gz OGTRLZCILLSNBY-LBPRGKRZSA-N 1 0 294.830 2.377 10 0 CEAERO Cn1cnnc1SCC[NH2+]C1CCCCCC1 ZINC000053609827 527528449 /nfs/dbraw/zinc/52/84/49/527528449.db2.gz FFWPNHHUPZOFET-UHFFFAOYSA-N 1 0 254.403 2.220 10 0 CEAERO OCCC[C@@H]1CCC[N@@H+]1CC1(CO)CCCCC1 ZINC000052763437 527543581 /nfs/dbraw/zinc/54/35/81/527543581.db2.gz RZQZRQYJABHXMG-AWEZNQCLSA-N 1 0 255.402 2.166 10 0 CEAERO O=C([O-])C1(C[NH+]2CCC(C[NH+]3CCCC3)CC2)CCCC1 ZINC000062035738 527555074 /nfs/dbraw/zinc/55/50/74/527555074.db2.gz OVAFPBLVRMXTRN-UHFFFAOYSA-N 1 0 294.439 2.439 10 0 CEAERO Nc1[nH+]c2cc(Cl)ccc2n1C[C@H]1CCOC1 ZINC000061146984 527561196 /nfs/dbraw/zinc/56/11/96/527561196.db2.gz XQAWELFBECEGSP-MRVPVSSYSA-N 1 0 251.717 2.308 10 0 CEAERO OCCn1cc(C[NH2+][C@H]2CCCC[C@H]2C(F)(F)F)cn1 ZINC000068691069 527575948 /nfs/dbraw/zinc/57/59/48/527575948.db2.gz XPCSPBURWFMRCK-NEPJUHHUSA-N 1 0 291.317 2.086 10 0 CEAERO Cn1nccc1[C@@H]([NH3+])C1(c2ccccc2)CCOCC1 ZINC000069468045 527621774 /nfs/dbraw/zinc/62/17/74/527621774.db2.gz WZGINBWMEOIIHT-OAHLLOKOSA-N 1 0 271.364 2.168 10 0 CEAERO O[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000061674828 527667592 /nfs/dbraw/zinc/66/75/92/527667592.db2.gz JJFWFLUQRSVOAF-QWHCGFSZSA-N 1 0 263.337 2.199 10 0 CEAERO FC(F)(F)CN1CC[NH2+][C@@H](C2CCCCC2)C1 ZINC000068693798 527668003 /nfs/dbraw/zinc/66/80/03/527668003.db2.gz YFXCWCOUKSIQIO-LLVKDONJSA-N 1 0 250.308 2.403 10 0 CEAERO FC(F)(F)COCCN1CC[NH2+]C[C@@H]1C1CCCCC1 ZINC000068697021 527669501 /nfs/dbraw/zinc/66/95/01/527669501.db2.gz DUCGSEAVINOMQD-CYBMUJFWSA-N 1 0 294.361 2.419 10 0 CEAERO Cc1nn(C)c(N(C)C[C@H]2CCCO2)c1C[NH2+]C(C)(C)C ZINC000062737035 527670371 /nfs/dbraw/zinc/67/03/71/527670371.db2.gz FKQPJULCBDSUNI-CYBMUJFWSA-N 1 0 294.443 2.232 10 0 CEAERO CCO[C@@H]1C[C@@](CO)([NH2+][C@@H](C)C2CCC2)C1(C)C ZINC000192641268 527872812 /nfs/dbraw/zinc/87/28/12/527872812.db2.gz DWXBBPTVQAIYBX-LNSITVRQSA-N 1 0 255.402 2.331 10 0 CEAERO CCNc1nc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)cs1 ZINC000158290255 528440729 /nfs/dbraw/zinc/44/07/29/528440729.db2.gz FSJHGNSZIGOOIL-LLVKDONJSA-N 1 0 298.456 2.281 10 0 CEAERO CCOCCCNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000047676577 528680705 /nfs/dbraw/zinc/68/07/05/528680705.db2.gz PIOBLNDHRFTCEK-HNNXBMFYSA-N 1 0 293.411 2.015 10 0 CEAERO CCC[C@@H](C(=O)N(C)Cc1ccc(OC)c(O)c1)[NH+](C)C ZINC000154719053 528836343 /nfs/dbraw/zinc/83/63/43/528836343.db2.gz XTGBVPPBTSVVKT-ZDUSSCGKSA-N 1 0 294.395 2.090 10 0 CEAERO CCCCc1noc(CN(C)C[C@@H]2CCC[N@@H+]2CC)n1 ZINC000175354581 529055010 /nfs/dbraw/zinc/05/50/10/529055010.db2.gz GIRAKUKJJGKQQF-ZDUSSCGKSA-N 1 0 280.416 2.328 10 0 CEAERO CC[C@@H](O)C[NH+]1CCN(Cc2coc3ccccc23)CC1 ZINC000123502327 529228574 /nfs/dbraw/zinc/22/85/74/529228574.db2.gz IADOAEVXLOCOCO-OAHLLOKOSA-N 1 0 288.391 2.321 10 0 CEAERO CC1CCN(C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)CC1 ZINC000091991324 535270493 /nfs/dbraw/zinc/27/04/93/535270493.db2.gz XATSMVLGDNRUNR-AWEZNQCLSA-N 1 0 273.380 2.228 10 0 CEAERO CCC[C@@H](C[NH3+])CN1CCN(c2ccccc2F)CC1 ZINC000087535425 535341265 /nfs/dbraw/zinc/34/12/65/535341265.db2.gz GCYBIVNPMURGLP-AWEZNQCLSA-N 1 0 279.403 2.323 10 0 CEAERO CCOC1CCN(c2cncc(C[NH2+]C(C)(C)C)n2)CC1 ZINC000091419700 535400624 /nfs/dbraw/zinc/40/06/24/535400624.db2.gz DJAJVSORNXKWPE-UHFFFAOYSA-N 1 0 292.427 2.370 10 0 CEAERO CC[NH2+][C@H]1CCN(CC(=O)N(C)C2CC2)c2ccccc21 ZINC000071378045 535516179 /nfs/dbraw/zinc/51/61/79/535516179.db2.gz SFCVJKZATGQPMT-HNNXBMFYSA-N 1 0 287.407 2.168 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C)CN1c1ccc(F)cc1OC ZINC000083393359 536169551 /nfs/dbraw/zinc/16/95/51/536169551.db2.gz ZPUYICLBKLOSCU-PWSUYJOCSA-N 1 0 252.333 2.411 10 0 CEAERO C[NH2+][C@@H](C)[C@H]1CCCN(c2cnc3ccccc3n2)C1 ZINC000111716764 536350782 /nfs/dbraw/zinc/35/07/82/536350782.db2.gz XKVJEICLQFBPCH-STQMWFEESA-N 1 0 270.380 2.454 10 0 CEAERO C[NH2+][C@@H]1CCN(C(=O)c2ccncc2)c2ccccc21 ZINC000071324330 536374879 /nfs/dbraw/zinc/37/48/79/536374879.db2.gz GUBSWNUDOOWXMF-CQSZACIVSA-N 1 0 267.332 2.393 10 0 CEAERO CN1CCN(c2nc3sccn3c2C[NH3+])c2ccccc21 ZINC000111461366 536425546 /nfs/dbraw/zinc/42/55/46/536425546.db2.gz WKGPRPUIJLHIFD-UHFFFAOYSA-N 1 0 299.403 2.442 10 0 CEAERO COC(C[C@@](C)(C[NH3+])N1CCCc2ccccc21)OC ZINC000090265672 536510017 /nfs/dbraw/zinc/51/00/17/536510017.db2.gz GJQQRHJGUZHOMS-INIZCTEOSA-N 1 0 278.396 2.166 10 0 CEAERO COC(=O)c1ccc(N2CCCC[C@H]2CC[NH3+])c(F)c1F ZINC000094272150 536732816 /nfs/dbraw/zinc/73/28/16/536732816.db2.gz AIGMIINNPZVXRY-JTQLQIEISA-N 1 0 298.333 2.459 10 0 CEAERO COc1cc(N2CCCC[C@@H]2C[NH2+]CC(C)C)ncn1 ZINC000090783869 536826864 /nfs/dbraw/zinc/82/68/64/536826864.db2.gz QELHRYFEYSHFNL-CYBMUJFWSA-N 1 0 278.400 2.090 10 0 CEAERO COc1cccc(N2CC[NH+]([C@H]3CCC[C@@H](O)C3)CC2)c1 ZINC000093731528 537124995 /nfs/dbraw/zinc/12/49/95/537124995.db2.gz XQBZWRHWFPYHFA-GOEBONIOSA-N 1 0 290.407 2.121 10 0 CEAERO CC1(C)C[NH2+][C@@]2(CCSC2)O[C@]12CCCOC2 ZINC000757143503 574510254 /nfs/dbraw/zinc/51/02/54/574510254.db2.gz LVJRMCRMNZSOST-STQMWFEESA-N 1 0 257.399 2.015 10 0 CEAERO CC[NH+]1CCC2(CC1)NCC1(CC1)[C@H](C(C)C)O2 ZINC000757146391 574510409 /nfs/dbraw/zinc/51/04/09/574510409.db2.gz RGYBDSHAJOUJLN-ZDUSSCGKSA-N 1 0 252.402 2.223 10 0 CEAERO [NH3+]C[C@@H]1CCN1Cc1ccc(F)cc1Br ZINC000757148147 574510565 /nfs/dbraw/zinc/51/05/65/574510565.db2.gz WPVFYNFNRDCHTL-JTQLQIEISA-N 1 0 273.149 2.121 10 0 CEAERO CC1(C)CC2(CC(C)(C)[NH2+]1)NCC[C@H](C(F)F)O2 ZINC000757150389 574510748 /nfs/dbraw/zinc/51/07/48/574510748.db2.gz XVMQVWRTPUDRSO-SECBINFHSA-N 1 0 262.344 2.267 10 0 CEAERO CC(C)(C)OC(=O)N(c1ccc(C[NH3+])nc1)C1CC1 ZINC000757133093 574826457 /nfs/dbraw/zinc/82/64/57/574826457.db2.gz GNIAPYIQCQVJKR-UHFFFAOYSA-N 1 0 263.341 2.444 10 0 CEAERO C[C@@H](N1CCC[C@]12C[NH2+]C[C@@H](C)C2)C(F)(F)F ZINC000757124350 574825835 /nfs/dbraw/zinc/82/58/35/574825835.db2.gz CFSQJXNUWOJPIJ-AXFHLTTASA-N 1 0 250.308 2.401 10 0 CEAERO CC[C@@H]1C[NH2+][C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000725255413 567915093 /nfs/dbraw/zinc/91/50/93/567915093.db2.gz AOVPPVLCLQCUHE-FZMZJTMJSA-N 1 0 254.374 2.386 10 0 CEAERO Cc1cnc(N2CCC[NH2+]CC2)nc1-c1ccccc1F ZINC000235967497 625579654 /nfs/dbraw/zinc/57/96/54/625579654.db2.gz HGVKLHATGBLWDB-UHFFFAOYSA-N 1 0 286.354 2.391 10 0 CEAERO CCC(CC)[C@H]([NH3+])CS(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000757147528 622916694 /nfs/dbraw/zinc/91/66/94/622916694.db2.gz CKPRFMIMPZCHSH-YRGRVCCFSA-N 1 0 290.473 2.058 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cn1ncn(C2CC2)c1=S ZINC000177157788 625620275 /nfs/dbraw/zinc/62/02/75/625620275.db2.gz JGMAWZXXGMDPSR-ZDUSSCGKSA-N 1 0 295.456 2.123 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)CN1C[C@H](CC(C)C)CC1=O ZINC000177162427 625622915 /nfs/dbraw/zinc/62/29/15/625622915.db2.gz PWOWKTSGYMHDFC-CVEARBPZSA-N 1 0 295.471 2.255 10 0 CEAERO CCCc1ccc(NC(=O)C2(C[NH3+])CCOCC2)cc1 ZINC000049932851 623260730 /nfs/dbraw/zinc/26/07/30/623260730.db2.gz IYOOPBSHWZLJEO-UHFFFAOYSA-N 1 0 276.380 2.333 10 0 CEAERO CCc1ncnc(NCc2ccc(CC[NH3+])cc2)c1F ZINC000234193330 623278375 /nfs/dbraw/zinc/27/83/75/623278375.db2.gz LHXQHHIYDCAWEN-UHFFFAOYSA-N 1 0 274.343 2.291 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1ccc(Cl)c(F)c1 ZINC000261554852 623374267 /nfs/dbraw/zinc/37/42/67/623374267.db2.gz PEPKSSGWOJHSBT-WRWORJQWSA-N 1 0 256.708 2.041 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)c1cc(C)cc(Br)c1 ZINC000261575427 623383595 /nfs/dbraw/zinc/38/35/95/623383595.db2.gz JRSVBAQGOOHXNK-VIFPVBQESA-N 1 0 285.185 2.095 10 0 CEAERO COC[C@]1(CNc2nccc3occc32)CCC[NH2+]1 ZINC000261645556 623416137 /nfs/dbraw/zinc/41/61/37/623416137.db2.gz XNIJSPDDMPZBGY-CQSZACIVSA-N 1 0 261.325 2.008 10 0 CEAERO CCOc1ccc(-c2nc(CC[NH2+]C)no2)cc1OCC ZINC000051850785 624622577 /nfs/dbraw/zinc/62/25/77/624622577.db2.gz LVTZPVIPMXFOGT-UHFFFAOYSA-N 1 0 291.351 2.296 10 0 CEAERO Cc1nc2ccccc2nc1NC[C@@H]1CCC[NH2+]C1 ZINC000052099578 624773714 /nfs/dbraw/zinc/77/37/14/624773714.db2.gz XUSZHVKPJJRXAT-GFCCVEGCSA-N 1 0 256.353 2.350 10 0 CEAERO CCCCC[C@@H](C)NC(=O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177767649 625876585 /nfs/dbraw/zinc/87/65/85/625876585.db2.gz XYNODQMDEAPBPW-HZPDHXFCSA-N 1 0 295.471 2.242 10 0 CEAERO COC1CC([NH2+][C@@H](C)CC(=O)Nc2ccccc2)C1 ZINC000311419724 627660830 /nfs/dbraw/zinc/66/08/30/627660830.db2.gz MFKLUFPWHKLAQN-XGNXJENSSA-N 1 0 262.353 2.171 10 0 CEAERO COc1cccnc1N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000328228433 627868417 /nfs/dbraw/zinc/86/84/17/627868417.db2.gz COBZSKSCBVMTTC-UONOGXRCSA-N 1 0 269.348 2.021 10 0 CEAERO O[C@H]1CCCC[C@H]1C[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000396425561 628223578 /nfs/dbraw/zinc/22/35/78/628223578.db2.gz RPRPUUAMTRYGTJ-QCXCNERSSA-N 1 0 295.345 2.363 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1c1ncnc2sccc21 ZINC000053706638 628512867 /nfs/dbraw/zinc/51/28/67/628512867.db2.gz SFDMLECYVKBGNI-SNVBAGLBSA-N 1 0 262.382 2.270 10 0 CEAERO COc1c(C[NH2+]CCSC(F)(F)F)c(C)nn1C ZINC000195520407 628535358 /nfs/dbraw/zinc/53/53/58/628535358.db2.gz CTULPQSKYOECFU-UHFFFAOYSA-N 1 0 283.319 2.080 10 0 CEAERO C[N@H+](Cc1cccc(O)c1)C1(CO)CCSCC1 ZINC000093362245 628644797 /nfs/dbraw/zinc/64/47/97/628644797.db2.gz ZIJOIJBBJJNILZ-UHFFFAOYSA-N 1 0 267.394 2.082 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C[C@@H]1CCCOC1 ZINC000094434259 628714416 /nfs/dbraw/zinc/71/44/16/628714416.db2.gz IQLRBEIFJVLVEX-ARFHVFGLSA-N 1 0 266.429 2.362 10 0 CEAERO C[C@H](C[NH3+])c1noc([C@H]2CCOc3ccccc32)n1 ZINC000104203737 628762563 /nfs/dbraw/zinc/76/25/63/628762563.db2.gz QXQOLPWYSIKLRU-KOLCDFICSA-N 1 0 259.309 2.046 10 0 CEAERO OCCN1CCC([NH2+][C@@H]2CCCc3sccc32)CC1 ZINC000399077704 628773365 /nfs/dbraw/zinc/77/33/65/628773365.db2.gz QLYCUQKREBPOMM-CQSZACIVSA-N 1 0 280.437 2.172 10 0 CEAERO COc1ccc(OC)c(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000094646852 628869415 /nfs/dbraw/zinc/86/94/15/628869415.db2.gz GGKRQRRZWUTYNC-CMPLNLGQSA-N 1 0 278.352 2.030 10 0 CEAERO Cc1nc(N2CC[C@@H]([NH3+])[C@H]2C)ccc1Br ZINC000261534729 628935750 /nfs/dbraw/zinc/93/57/50/628935750.db2.gz MYHBFNREZKPLOT-PSASIEDQSA-N 1 0 270.174 2.078 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1Cc1ccc(Br)cc1 ZINC000261533815 628936033 /nfs/dbraw/zinc/93/60/33/628936033.db2.gz LHPOYBZQFHCKGW-BXKDBHETSA-N 1 0 269.186 2.371 10 0 CEAERO FC(F)(F)c1ccc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)nc1 ZINC000261580492 628941533 /nfs/dbraw/zinc/94/15/33/628941533.db2.gz FKOHQYFFALAYJI-KOLCDFICSA-N 1 0 271.286 2.289 10 0 CEAERO Cc1cccc(NC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000261617837 628949139 /nfs/dbraw/zinc/94/91/39/628949139.db2.gz UHVCKWOLJNIHDL-IACUBPJLSA-N 1 0 259.353 2.196 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1)C1CC1 ZINC000251626485 629161092 /nfs/dbraw/zinc/16/10/92/629161092.db2.gz QUWLLHPGOGIUAS-DEQVHRJGSA-N 1 0 250.386 2.212 10 0 CEAERO COC(=O)[C@@H]1C[N@H+](C[C@H]2Cc3ccccc32)C[C@@H]1C ZINC000251865002 629162692 /nfs/dbraw/zinc/16/26/92/629162692.db2.gz SUSWNCWXQXDAHE-NJZAAPMLSA-N 1 0 259.349 2.067 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000261731880 629164689 /nfs/dbraw/zinc/16/46/89/629164689.db2.gz LONANXCCKDJYJP-VIFPVBQESA-N 1 0 293.754 2.333 10 0 CEAERO CC[NH2+]Cc1ccccc1NC(=O)[C@@H](C)COC ZINC000237062226 629183297 /nfs/dbraw/zinc/18/32/97/629183297.db2.gz LUTMYDFLPWVKAC-NSHDSACASA-N 1 0 250.342 2.017 10 0 CEAERO CCc1cc2c(ncnc2N2CC[C@@H]3[NH2+]CC[C@H]3C2)s1 ZINC000261811774 629252764 /nfs/dbraw/zinc/25/27/64/629252764.db2.gz SMDLINNGISGQMM-GWCFXTLKSA-N 1 0 288.420 2.442 10 0 CEAERO CC(C)(O)C(C)(C)[NH2+]Cc1cnc2ccccc2n1 ZINC000229050062 629483143 /nfs/dbraw/zinc/48/31/43/629483143.db2.gz CHYPRQQXCZKHEL-UHFFFAOYSA-N 1 0 259.353 2.269 10 0 CEAERO Fc1cc(F)cc(Cc2noc(C[C@H]3CCC[NH2+]C3)n2)c1 ZINC000054301537 631143194 /nfs/dbraw/zinc/14/31/94/631143194.db2.gz WHMLTAIEBDVUBD-SNVBAGLBSA-N 1 0 293.317 2.481 10 0 CEAERO O[C@H]1CCC[C@@H]([NH2+]Cc2cccc3c2NCCC3)C1 ZINC000163310909 631185888 /nfs/dbraw/zinc/18/58/88/631185888.db2.gz IBNYGKWQMRUNTD-CABCVRRESA-N 1 0 260.381 2.438 10 0 CEAERO CC(C)n1nccc1[C@@H]1C[NH2+]C[C@@H]1C(=O)OC(C)(C)C ZINC000757192217 631832617 /nfs/dbraw/zinc/83/26/17/631832617.db2.gz WLUGYMPDIGAKPG-NEPJUHHUSA-N 1 0 279.384 2.109 10 0 CEAERO COC(=O)[C@H]1C[N@H+](Cc2cc(F)cc(F)c2)C[C@H]1C ZINC000093762159 632333639 /nfs/dbraw/zinc/33/36/39/632333639.db2.gz GYKJDWUDMZWCHF-RNCFNFMXSA-N 1 0 269.291 2.206 10 0 CEAERO [NH3+]C1(CNc2ncc(Cl)cc2Br)CC1 ZINC000900409129 633706536 /nfs/dbraw/zinc/70/65/36/633706536.db2.gz LHVCKTVTCBXXHH-UHFFFAOYSA-N 1 0 276.565 2.401 10 0 CEAERO Cc1cc2c(ncnc2N2CC[C@@H](C)[C@H](C[NH3+])C2)s1 ZINC000163952702 639338964 /nfs/dbraw/zinc/33/89/64/639338964.db2.gz OFXJEOUEOZGOFQ-MWLCHTKSSA-N 1 0 276.409 2.421 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC000164226419 639353746 /nfs/dbraw/zinc/35/37/46/639353746.db2.gz JFONDSZBYCGBLR-STQMWFEESA-N 1 0 284.400 2.155 10 0 CEAERO Cc1ccsc1C(=O)N(C(=O)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000223181346 639414620 /nfs/dbraw/zinc/41/46/20/639414620.db2.gz WZOQZPUENUGHSR-NSHDSACASA-N 1 0 292.404 2.187 10 0 CEAERO CCc1cccnc1-c1noc([C@@H]2CC[C@H]([NH3+])C2)n1 ZINC000157294271 639477562 /nfs/dbraw/zinc/47/75/62/639477562.db2.gz WEQKFAATHLPUER-MNOVXSKESA-N 1 0 258.325 2.289 10 0 CEAERO CC[C@H](COC)[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000157335123 639481069 /nfs/dbraw/zinc/48/10/69/639481069.db2.gz PAFVWQGAFOWICI-CHWSQXEVSA-N 1 0 286.416 2.258 10 0 CEAERO Cc1cc(Cl)ncc1NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000157418699 639486066 /nfs/dbraw/zinc/48/60/66/639486066.db2.gz AZHBEHNTOLMWLY-RKDXNWHRSA-N 1 0 253.733 2.109 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1c1ccc(C(F)(F)F)nn1 ZINC000167112976 639508435 /nfs/dbraw/zinc/50/84/35/639508435.db2.gz CVZDYDMOWSUDGE-SECBINFHSA-N 1 0 274.290 2.074 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1F ZINC000227581223 639597326 /nfs/dbraw/zinc/59/73/26/639597326.db2.gz ZUCUISVQYNWSPP-WCFLWFBJSA-N 1 0 264.344 2.439 10 0 CEAERO Cc1nc2ccccc2nc1N[C@@H]1CCC[NH2+][C@H]1C ZINC000229607043 639710127 /nfs/dbraw/zinc/71/01/27/639710127.db2.gz JAOPGAQJEYZZSM-CMPLNLGQSA-N 1 0 256.353 2.491 10 0 CEAERO COc1ccccc1[C@H](O)C[NH2+]Cc1cn2ccccc2n1 ZINC000171379596 639715625 /nfs/dbraw/zinc/71/56/25/639715625.db2.gz JFMSHYDGTKZGDL-OAHLLOKOSA-N 1 0 297.358 2.166 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+]Cc2cc[nH]c2)C1 ZINC000230167810 639742711 /nfs/dbraw/zinc/74/27/11/639742711.db2.gz SZDUUZVQQYUJSK-ZDUSSCGKSA-N 1 0 279.384 2.361 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+][C@@H]2CCCOC2)C1 ZINC000230393696 639756510 /nfs/dbraw/zinc/75/65/10/639756510.db2.gz ROLDCDXVMBMXRF-QWHCGFSZSA-N 1 0 284.400 2.012 10 0 CEAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1occc1Br ZINC000230702383 639781099 /nfs/dbraw/zinc/78/10/99/639781099.db2.gz OCTYFAMNPSSHIH-PSASIEDQSA-N 1 0 274.158 2.293 10 0 CEAERO Cc1cc(C[NH2+]CCc2ccnn2C)cc(C)c1O ZINC000230772919 639786005 /nfs/dbraw/zinc/78/60/05/639786005.db2.gz DACOKLCHCPIJOW-UHFFFAOYSA-N 1 0 259.353 2.075 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc(F)cc1N ZINC000062823198 639786069 /nfs/dbraw/zinc/78/60/69/639786069.db2.gz IXFGXRDSRMZVIY-GFCCVEGCSA-N 1 0 281.375 2.114 10 0 CEAERO COc1cc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)ccc1Cl ZINC000232201067 639905102 /nfs/dbraw/zinc/90/51/02/639905102.db2.gz PTUZHFIESBZHTJ-DTWKUNHWSA-N 1 0 268.744 2.415 10 0 CEAERO c1ccc2c(c1)O[C@H](c1noc([C@@H]3CC[NH2+]C3)n1)CS2 ZINC000232479169 639925121 /nfs/dbraw/zinc/92/51/21/639925121.db2.gz TTZBPUYLNSFUNP-KOLCDFICSA-N 1 0 289.360 2.372 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@@H](C2CC2)C(C)(C)C)C1 ZINC000323966766 639956467 /nfs/dbraw/zinc/95/64/67/639956467.db2.gz HPOOJCACLSQUTH-KBPBESRZSA-N 1 0 254.418 2.121 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1C(=O)NCCc1cccs1 ZINC000089386544 640360675 /nfs/dbraw/zinc/36/06/75/640360675.db2.gz ITWFOORXWPJABV-AAEUAGOBSA-N 1 0 266.410 2.172 10 0 CEAERO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C[C@H](O)C(C)(C)C ZINC000324263381 640380625 /nfs/dbraw/zinc/38/06/25/640380625.db2.gz IAVSXVFIAIAFMZ-NSHDSACASA-N 1 0 288.432 2.286 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1C(=O)NCc1ccsc1 ZINC000089399253 640390581 /nfs/dbraw/zinc/39/05/81/640390581.db2.gz OYPJZTDHKAMCJI-NWDGAFQWSA-N 1 0 252.383 2.129 10 0 CEAERO Cc1ccc2c(C[N@@H+]3CC[C@@H](CCO)C3)cc(=O)oc2c1 ZINC000227567409 640432845 /nfs/dbraw/zinc/43/28/45/640432845.db2.gz MZFUOHCTDOFECH-ZDUSSCGKSA-N 1 0 287.359 2.306 10 0 CEAERO CC(C)(C)[C@H](O)C[NH2+]C[C@H](O)c1ccccc1Cl ZINC000324431571 640575828 /nfs/dbraw/zinc/57/58/28/640575828.db2.gz BQVPVEYFQOZPSE-QWHCGFSZSA-N 1 0 271.788 2.370 10 0 CEAERO CCC1CCC(NC(=O)[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000232892911 640938410 /nfs/dbraw/zinc/93/84/10/640938410.db2.gz AZNJREFQOPBULI-NELGMTEASA-N 1 0 252.402 2.460 10 0 CEAERO CC[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1OC ZINC000233886976 641346092 /nfs/dbraw/zinc/34/60/92/641346092.db2.gz BFCAHKMBQMCLKZ-MRVWCRGKSA-N 1 0 276.380 2.118 10 0 CEAERO Cc1cc(Br)cc(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC000261557126 641520166 /nfs/dbraw/zinc/52/01/66/641520166.db2.gz RGFPORWXIHVPEZ-BXKDBHETSA-N 1 0 297.196 2.319 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@H](C)Cc2cccc(F)c2)C1 ZINC000252739367 641584527 /nfs/dbraw/zinc/58/45/27/641584527.db2.gz HBJQTPDZTXNSOH-CZUORRHYSA-N 1 0 280.387 2.067 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H](C(=O)NC2C3CC4CC(C3)CC2C4)C1 ZINC000070575126 641679977 /nfs/dbraw/zinc/67/99/77/641679977.db2.gz GIKRRVABHOOMDS-WBSGLHFFSA-N 1 0 276.424 2.445 10 0 CEAERO OC1(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)CCCCC1 ZINC000128260612 651397343 /nfs/dbraw/zinc/39/73/43/651397343.db2.gz NCAVWGXOPSMMQL-GDBMZVCRSA-N 1 0 267.413 2.309 10 0 CEAERO Cn1ccc(C[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)n1 ZINC000212245642 652045343 /nfs/dbraw/zinc/04/53/43/652045343.db2.gz FXOOYFKVRTXKFD-CYBMUJFWSA-N 1 0 299.296 2.262 10 0 CEAERO C[N@H+](CCCNC(=O)n1ccnc1)C1CCCCC1 ZINC000129993886 652200844 /nfs/dbraw/zinc/20/08/44/652200844.db2.gz OBEOOCQMNVWSGB-UHFFFAOYSA-N 1 0 264.373 2.095 10 0 CEAERO CCOC(=O)c1cccnc1NCC([NH3+])(CC)CC ZINC000130054774 652208725 /nfs/dbraw/zinc/20/87/25/652208725.db2.gz PYYMXJCBPZBFOR-UHFFFAOYSA-N 1 0 265.357 2.188 10 0 CEAERO CCc1cccnc1-c1noc([C@H]2CCC[NH2+]C2)n1 ZINC000131968012 652484533 /nfs/dbraw/zinc/48/45/33/652484533.db2.gz UJGIFNIXPYQAAT-NSHDSACASA-N 1 0 258.325 2.161 10 0 CEAERO Cc1cnc(=S)n(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000133087021 652598023 /nfs/dbraw/zinc/59/80/23/652598023.db2.gz JVVWLYZBQRCHFR-QWHCGFSZSA-N 1 0 278.425 2.047 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CC2CC(O)C2)CC1 ZINC000133870788 652737588 /nfs/dbraw/zinc/73/75/88/652737588.db2.gz HBEWIMVMIONWRQ-MOKVOYLWSA-N 1 0 298.427 2.137 10 0 CEAERO C[C@H]1C[C@H](C[NH3+])CN1c1cccc(C(F)(F)F)n1 ZINC000216191642 652969140 /nfs/dbraw/zinc/96/91/40/652969140.db2.gz ZYVHUARQCAQHRQ-DTWKUNHWSA-N 1 0 259.275 2.274 10 0 CEAERO Fc1ccc(Cl)c(C[N+]23CCN(CC2)CC3)c1 ZINC000187745643 717157858 /nfs/dbraw/zinc/15/78/58/717157858.db2.gz SHFHSLKMNUPLHK-UHFFFAOYSA-N 1 0 255.744 2.125 10 0 CEAERO C[NH2+][C@@H](CS(=O)(=O)c1cccc(Cl)c1)C1CC1 ZINC000081981912 177911880 /nfs/dbraw/zinc/91/18/80/177911880.db2.gz AAVYJAVDFKSAED-LBPRGKRZSA-N 1 0 273.785 2.112 10 0 CEAERO CC[NH2+][C@H](C)CCS(=O)(=O)Cc1ccccc1C ZINC000081984910 177912449 /nfs/dbraw/zinc/91/24/49/177912449.db2.gz CKTMAMVWGOOABS-CYBMUJFWSA-N 1 0 269.410 2.298 10 0 CEAERO [NH3+][C@@H]1c2ccccc2CC[C@H]1S(=O)(=O)C1CCCC1 ZINC000081988935 177914801 /nfs/dbraw/zinc/91/48/01/177914801.db2.gz ZBJIKBHDPDLUPA-HUUCEWRRSA-N 1 0 279.405 2.359 10 0 CEAERO [NH3+][C@@H](C[S@@](=O)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000082000865 177917505 /nfs/dbraw/zinc/91/75/05/177917505.db2.gz BICVHGCHKMMYBX-RBZFPXEDSA-N 1 0 289.356 2.223 10 0 CEAERO CCCCS(=O)(=O)[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CC ZINC000082004437 177917907 /nfs/dbraw/zinc/91/79/07/177917907.db2.gz SRHRIMZWRLVTHL-CABCVRRESA-N 1 0 281.421 2.477 10 0 CEAERO CC(C)CCNC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000124401226 187135936 /nfs/dbraw/zinc/13/59/36/187135936.db2.gz JFTMUSIGEHKVQB-CQSZACIVSA-N 1 0 269.433 2.452 10 0 CEAERO C[NH+](C)[C@@H](CO)c1ccc(F)c(Br)c1 ZINC000095532651 185005207 /nfs/dbraw/zinc/00/52/07/185005207.db2.gz CTULQLDFYNQDKI-JTQLQIEISA-N 1 0 262.122 2.183 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(Br)cc1 ZINC000082558839 178095250 /nfs/dbraw/zinc/09/52/50/178095250.db2.gz JIJYHIIQAWCTLL-GZMMTYOYSA-N 1 0 283.169 2.243 10 0 CEAERO O=C(OCc1ccccc1)N1CCC[C@@H]([C@@H]2CC[NH2+]2)C1 ZINC000095803830 185029150 /nfs/dbraw/zinc/02/91/50/185029150.db2.gz IRTSPZPLLXMUKD-CABCVRRESA-N 1 0 274.364 2.397 10 0 CEAERO Cc1noc([C@H](C)N2CC[NH+](C[C@H]3CC=CCC3)CC2)n1 ZINC000121257129 365541998 /nfs/dbraw/zinc/54/19/98/365541998.db2.gz CGKWNEPXJBTQCL-ZFWWWQNUSA-N 1 0 290.411 2.413 10 0 CEAERO Cn1cc(CN2CCC[N@H+](Cc3ccsc3)CC2)cn1 ZINC000121598807 365592269 /nfs/dbraw/zinc/59/22/69/365592269.db2.gz RVRMFTUXUKLYSI-UHFFFAOYSA-N 1 0 290.436 2.190 10 0 CEAERO CNC(=O)C1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000121660179 365600684 /nfs/dbraw/zinc/60/06/84/365600684.db2.gz LXLONWOXXCUDQE-UHFFFAOYSA-N 1 0 283.375 2.193 10 0 CEAERO c1c2nc([C@@H]3CCC[NH2+]3)[nH]c2cc2c1OCCCO2 ZINC000034939118 361798352 /nfs/dbraw/zinc/79/83/52/361798352.db2.gz CXDYIZPSZZVNGW-VIFPVBQESA-N 1 0 259.309 2.149 10 0 CEAERO Cn1cc([C@H]([NH3+])c2cc(Br)ccc2F)cn1 ZINC000034957618 361799965 /nfs/dbraw/zinc/79/99/65/361799965.db2.gz DXJSSQCBGXDIFK-NSHDSACASA-N 1 0 284.132 2.370 10 0 CEAERO COc1cc(Nc2cc[nH+]cc2N)cc(OC)c1OC ZINC000034964419 361801299 /nfs/dbraw/zinc/80/12/99/361801299.db2.gz ZHOVLQQHSNGEJT-UHFFFAOYSA-N 1 0 275.308 2.433 10 0 CEAERO COc1cccc(CN2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC000082728991 178245729 /nfs/dbraw/zinc/24/57/29/178245729.db2.gz IQMGVJJEDOPDEZ-GDBMZVCRSA-N 1 0 260.381 2.269 10 0 CEAERO Clc1ccc(NCC[NH2+][C@H]2CN3CCC2CC3)cc1 ZINC000034400080 361789081 /nfs/dbraw/zinc/78/90/81/361789081.db2.gz BFWOBKVXTNMUNK-HNNXBMFYSA-N 1 0 279.815 2.436 10 0 CEAERO c1ccc(O[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3C2CCC2)nc1 ZINC000096065851 185084263 /nfs/dbraw/zinc/08/42/63/185084263.db2.gz DUFATYHRRWZFKL-SQWLQELKSA-N 1 0 274.364 2.245 10 0 CEAERO CC[C@@H](CC[NH3+])S(=O)(=O)c1ccc(Cl)cc1 ZINC000082789711 178294629 /nfs/dbraw/zinc/29/46/29/178294629.db2.gz JZZDKYDPXUXAJR-JTQLQIEISA-N 1 0 261.774 2.241 10 0 CEAERO [NH3+][C@@H]1CCCc2c1cnn2-c1nc2ccccc2[nH]1 ZINC000082826904 178324711 /nfs/dbraw/zinc/32/47/11/178324711.db2.gz ITWZIQLEEACKJN-SNVBAGLBSA-N 1 0 253.309 2.085 10 0 CEAERO [NH3+][C@@H](CCO)CSc1ccc(Br)cc1 ZINC000082988881 178332305 /nfs/dbraw/zinc/33/23/05/178332305.db2.gz BNPRVKAYHLMEOP-VIFPVBQESA-N 1 0 276.199 2.251 10 0 CEAERO C[C@@H](C[NH3+])[C@H](O)c1ccc(F)c(Br)c1 ZINC000083021733 178334757 /nfs/dbraw/zinc/33/47/57/178334757.db2.gz HDQDEBIVOLMXRL-WKEGUHRASA-N 1 0 262.122 2.216 10 0 CEAERO C[C@@H]1CC(F)(F)CCN1C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000638632331 370645686 /nfs/dbraw/zinc/64/56/86/370645686.db2.gz WTZDICAHSGFBRL-OUAUKWLOSA-N 1 0 260.328 2.150 10 0 CEAERO CCC[NH2+][C@H](CO)CSc1ncccc1Cl ZINC000082905476 178329639 /nfs/dbraw/zinc/32/96/39/178329639.db2.gz UDLKHBPDJKOOSK-SECBINFHSA-N 1 0 260.790 2.188 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H]1CCCS1 ZINC000125205400 187174480 /nfs/dbraw/zinc/17/44/80/187174480.db2.gz RRSYKMTYLGELAU-STQMWFEESA-N 1 0 285.457 2.008 10 0 CEAERO C[C@H]1CC[C@H](C(=O)NC2CC[NH+](C3CCCC3)CC2)O1 ZINC000119393998 290626128 /nfs/dbraw/zinc/62/61/28/290626128.db2.gz HLIJIHGYIOLRBN-SWLSCSKDSA-N 1 0 280.412 2.077 10 0 CEAERO Cc1ccc([S@](=O)C[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000083309217 178380266 /nfs/dbraw/zinc/38/02/66/178380266.db2.gz MXHRUKTWTFFMPK-GUYCJALGSA-N 1 0 251.395 2.411 10 0 CEAERO [NH3+]CCNc1nccc2cc(Br)ccc21 ZINC000096848608 185117045 /nfs/dbraw/zinc/11/70/45/185117045.db2.gz GVPBSOMNMKJALL-UHFFFAOYSA-N 1 0 266.142 2.368 10 0 CEAERO [NH3+]C1CCC(c2nc(-c3cncs3)no2)CC1 ZINC000096883012 185119201 /nfs/dbraw/zinc/11/92/01/185119201.db2.gz IGMVMYMUZWEUEH-UHFFFAOYSA-N 1 0 250.327 2.178 10 0 CEAERO Cc1nn(C)c(C)c1-c1nc2ccc(C[NH3+])cc2[nH]1 ZINC000096874638 185119503 /nfs/dbraw/zinc/11/95/03/185119503.db2.gz CCKMSHFPEMEYCR-UHFFFAOYSA-N 1 0 255.325 2.039 10 0 CEAERO CCNc1cncc(N[C@@H](C)C[NH+](CC)CC)n1 ZINC000083420558 178429078 /nfs/dbraw/zinc/42/90/78/178429078.db2.gz PYVGWYUXLXAWSL-NSHDSACASA-N 1 0 251.378 2.051 10 0 CEAERO Cc1n[nH]cc1CN[C@H](C[NH+](C)C)c1ccccc1 ZINC000036901601 361869239 /nfs/dbraw/zinc/86/92/39/361869239.db2.gz YBEWQFOPGXVOHT-OAHLLOKOSA-N 1 0 258.369 2.111 10 0 CEAERO [NH3+][C@H]1CCN(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000096940015 185133798 /nfs/dbraw/zinc/13/37/98/185133798.db2.gz YQWQUEDCZQSVOF-HNNXBMFYSA-N 1 0 296.370 2.439 10 0 CEAERO C[C@@H]1C[NH2+]C[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000096958512 185141671 /nfs/dbraw/zinc/14/16/71/185141671.db2.gz FPINZJWMLCTLKJ-RISCZKNCSA-N 1 0 254.374 2.243 10 0 CEAERO CC[C@@H]1CN(CCc2scnc2C)CC[N@@H+]1CCOC ZINC000172535580 529394690 /nfs/dbraw/zinc/39/46/90/529394690.db2.gz JUCPXTIIHUYZTL-CQSZACIVSA-N 1 0 297.468 2.037 10 0 CEAERO Clc1cccc(-n2cncc2[C@H]2C[NH2+]CCO2)c1 ZINC000097007449 185151148 /nfs/dbraw/zinc/15/11/48/185151148.db2.gz SAELOINCBSPFOV-CYBMUJFWSA-N 1 0 263.728 2.187 10 0 CEAERO COc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2O)cc1OC ZINC000037891681 361959152 /nfs/dbraw/zinc/95/91/52/361959152.db2.gz GHZQKJYAWXTJEB-KBPBESRZSA-N 1 0 279.380 2.487 10 0 CEAERO O=C(Cc1cccc(F)c1)N1CCC[C@H]1C1CC[NH2+]CC1 ZINC000037916031 361964007 /nfs/dbraw/zinc/96/40/07/361964007.db2.gz CUSPVCTYOSHDEW-INIZCTEOSA-N 1 0 290.382 2.359 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]1)c1ccc(Br)cn1 ZINC000725256689 539202474 /nfs/dbraw/zinc/20/24/74/539202474.db2.gz FMJMWXXHFYSPLQ-VIFPVBQESA-N 1 0 269.142 2.169 10 0 CEAERO CC(C)NC(=O)NC[C@@H]([NH3+])C1CCC(C)(C)CC1 ZINC000725254925 539200720 /nfs/dbraw/zinc/20/07/20/539200720.db2.gz KIEFYVKVCJOMSL-GFCCVEGCSA-N 1 0 255.406 2.238 10 0 CEAERO CCCC(=O)N1CCC[C@H]([C@]23CC[C@@H]2CC[NH2+]3)C1 ZINC000725263449 539212094 /nfs/dbraw/zinc/21/20/94/539212094.db2.gz HDEDUEOIPZLOOS-IPYPFGDCSA-N 1 0 250.386 2.167 10 0 CEAERO CC(C)C(=O)N1CC[C@@H]2CC[C@@]21[C@H]1CCC[NH2+]C1 ZINC000725263440 539212228 /nfs/dbraw/zinc/21/22/28/539212228.db2.gz GWOXPTXNAWGQPK-YDHLFZDLSA-N 1 0 250.386 2.023 10 0 CEAERO C[C@@H](O)C[N@H+](C)[C@@H](C)c1cnn(CC2CCC2)c1 ZINC000725264113 539212549 /nfs/dbraw/zinc/21/25/49/539212549.db2.gz DBFUTZLCJMNTJC-NEPJUHHUSA-N 1 0 251.374 2.057 10 0 CEAERO C[C@H](c1cnn(CC2CCC2)c1)N1CC[NH2+]C[C@H]1C ZINC000725264204 539212624 /nfs/dbraw/zinc/21/26/24/539212624.db2.gz GOWBTFXDWVFLOU-CHWSQXEVSA-N 1 0 262.401 2.038 10 0 CEAERO CCC[C@H](C)C(=O)N[C@@H]1CCCC12CC[NH2+]CC2 ZINC000725264191 539212784 /nfs/dbraw/zinc/21/27/84/539212784.db2.gz ORCOXLZSNPHICY-QWHCGFSZSA-N 1 0 252.402 2.461 10 0 CEAERO C[C@H](c1cnn(CC2CCC2)c1)N1CC[NH2+][C@@H](C)C1 ZINC000725264406 539212896 /nfs/dbraw/zinc/21/28/96/539212896.db2.gz LVCXTEAHTHFEDP-QWHCGFSZSA-N 1 0 262.401 2.038 10 0 CEAERO C[NH2+][C@@H]1C[C@@H](C(C)C)CC[C@H]1S(=O)(=O)C(C)C ZINC000725265957 539213326 /nfs/dbraw/zinc/21/33/26/539213326.db2.gz ABLJLQOTGOLVPM-YNEHKIRRSA-N 1 0 261.431 2.222 10 0 CEAERO CN1C[C@H](C[NH2+]CCC2CCCCCC2)CC1=O ZINC000668617012 539215137 /nfs/dbraw/zinc/21/51/37/539215137.db2.gz UCWWCYQKQSVKCA-AWEZNQCLSA-N 1 0 252.402 2.415 10 0 CEAERO CC[C@H](C)[N@H+](C)C[C@H](O)CN(C)Cc1ccccc1 ZINC000305259871 539222170 /nfs/dbraw/zinc/22/21/70/539222170.db2.gz XMTDGABVECRJGV-GOEBONIOSA-N 1 0 264.413 2.210 10 0 CEAERO CCC(CC)NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000173294527 282204617 /nfs/dbraw/zinc/20/46/17/282204617.db2.gz LBEFWTUOYCGNAK-UONOGXRCSA-N 1 0 267.417 2.443 10 0 CEAERO C[C@@H](C[NH2+]C1C2CC3CC(C2)CC1C3)N1CCOCC1 ZINC000126138620 187219922 /nfs/dbraw/zinc/21/99/22/187219922.db2.gz NMBFEVWFJDUXQU-CNSOWSRNSA-N 1 0 278.440 2.121 10 0 CEAERO C[C@@H]1C[C@H](C)C[N@@H+](CCN2C[C@@H]3CC[C@@H](O)C[C@H]3C2)C1 ZINC000398790569 539262564 /nfs/dbraw/zinc/26/25/64/539262564.db2.gz NJXLUHIIEZLWLN-BQJWPVKWSA-N 1 0 280.456 2.057 10 0 CEAERO C[C@@H]1C[C@@H]1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000125990326 365693996 /nfs/dbraw/zinc/69/39/96/365693996.db2.gz PYPGQZGDCWWWQG-RJZRQDKASA-N 1 0 277.412 2.053 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CC1(C)C ZINC000126037972 365695816 /nfs/dbraw/zinc/69/58/16/365695816.db2.gz HAXVUVDQCKYOLJ-JHJVBQTASA-N 1 0 250.386 2.118 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCc2ccccc2C1 ZINC000300291206 539269290 /nfs/dbraw/zinc/26/92/90/539269290.db2.gz BETXROSXIRERAN-JYJNAYRXSA-N 1 0 272.392 2.035 10 0 CEAERO C[NH+](C)C[C@@H](NC(=O)c1ccnc(F)c1)c1ccccc1 ZINC000041040238 362014354 /nfs/dbraw/zinc/01/43/54/362014354.db2.gz JZLDDATUXHRNGC-CQSZACIVSA-N 1 0 287.338 2.253 10 0 CEAERO CC(=O)c1ccc(NC(=O)[C@H]([NH3+])Cc2ccccc2)cc1 ZINC000040854126 362007101 /nfs/dbraw/zinc/00/71/01/362007101.db2.gz HEWRLSFMKRJZMW-MRXNPFEDSA-N 1 0 282.343 2.398 10 0 CEAERO C[C@@H]1C[C@@H]([NH3+])c2cc(Br)ccc2[S@@]1=O ZINC000040976822 362011222 /nfs/dbraw/zinc/01/12/22/362011222.db2.gz QCPDGRFNHXEZRE-PHUZMZJCSA-N 1 0 274.183 2.349 10 0 CEAERO CCOc1ccc(NC(=O)c2ccnc(C[NH3+])c2)cc1F ZINC000126472805 187242387 /nfs/dbraw/zinc/24/23/87/187242387.db2.gz UQIKEIIIMUJPCY-UHFFFAOYSA-N 1 0 289.310 2.330 10 0 CEAERO CCN(CC)C[C@@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085637460 539292339 /nfs/dbraw/zinc/29/23/39/539292339.db2.gz MFZLQDIUEZUWDR-RQJABVFESA-N 1 0 254.418 2.120 10 0 CEAERO CC[C@H](O)CC[NH2+][C@H](C)c1c(C)nn(CC)c1C ZINC000132819572 529694955 /nfs/dbraw/zinc/69/49/55/529694955.db2.gz XUALYNBJEFGGTL-MFKMUULPSA-N 1 0 253.390 2.331 10 0 CEAERO O=c1[nH]c2cc(C[NH+]3CCCC3)ccc2n2cccc12 ZINC000043065590 362135606 /nfs/dbraw/zinc/13/56/06/362135606.db2.gz ZLYVTQGSZRQZLA-UHFFFAOYSA-N 1 0 267.332 2.377 10 0 in-vitro CEAERO Cc1ccc(C[NH2+][C@H](C(N)=O)C(C)C)c(Br)c1 ZINC000229193286 539300637 /nfs/dbraw/zinc/30/06/37/539300637.db2.gz OLLIYWROXREKSM-LBPRGKRZSA-N 1 0 299.212 2.357 10 0 CEAERO Cc1cc(C)c(O)c(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000094574367 539301518 /nfs/dbraw/zinc/30/15/18/539301518.db2.gz MABGPNUOEXJYSS-NEPJUHHUSA-N 1 0 262.353 2.465 10 0 CEAERO Cc1ccc(CNC(=O)C2CCC(C[NH3+])CC2)s1 ZINC000083493337 178516475 /nfs/dbraw/zinc/51/64/75/178516475.db2.gz MNGJRBIAIBSTSV-UHFFFAOYSA-N 1 0 266.410 2.438 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc2ccccc2[nH]1 ZINC000126699483 187256543 /nfs/dbraw/zinc/25/65/43/187256543.db2.gz NRIRJXGHYRTLJF-QWHCGFSZSA-N 1 0 270.380 2.231 10 0 CEAERO CCC(C)(C)c1ccc(OC[C@@H]2C[NH+]=C(N)O2)cc1 ZINC000034536929 343419908 /nfs/dbraw/zinc/41/99/08/343419908.db2.gz JAPJKKYHEHGGIU-ZDUSSCGKSA-N 1 0 262.353 2.467 10 0 CEAERO CCOC(=O)[C@H](C[NH3+])Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000034964059 343421332 /nfs/dbraw/zinc/42/13/32/343421332.db2.gz VINFEPPBIGMRQS-NHCYSSNCSA-N 1 0 251.326 2.084 10 0 CEAERO CC(C)C[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000037029984 343425689 /nfs/dbraw/zinc/42/56/89/343425689.db2.gz XXBQEHOZBAWPHG-DGCLKSJQSA-N 1 0 292.379 2.008 10 0 CEAERO CC[NH+](CC)CCNC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000047578099 362214324 /nfs/dbraw/zinc/21/43/24/362214324.db2.gz YLAQIMCITLUEQA-LBPRGKRZSA-N 1 0 267.373 2.290 10 0 CEAERO COc1cc2c(cc1OC)[C@H](C[NH2+]C(C)C)OCC2 ZINC000039307061 343436117 /nfs/dbraw/zinc/43/61/17/343436117.db2.gz UFHXDOAKNHPDHP-HNNXBMFYSA-N 1 0 265.353 2.316 10 0 CEAERO CSC[C@H](C)[NH2+][C@H]1CC(=O)N(C)c2ccccc21 ZINC000131539372 136389175 /nfs/dbraw/zinc/38/91/75/136389175.db2.gz IPHQCJKCTGCSMR-JQWIXIFHSA-N 1 0 264.394 2.435 10 0 CEAERO O=C(NCCCC[NH+]1CCCC1)c1cccs1 ZINC000044456365 343471934 /nfs/dbraw/zinc/47/19/34/343471934.db2.gz XRJQACDORBYZFH-UHFFFAOYSA-N 1 0 252.383 2.354 10 0 CEAERO CCc1nc(C[NH2+][C@H]2CCCC[C@H]2CO)cs1 ZINC000152332245 529740876 /nfs/dbraw/zinc/74/08/76/529740876.db2.gz RTGCSRMUIPOEEG-JQWIXIFHSA-N 1 0 254.399 2.346 10 0 CEAERO COCCCCNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000048216634 362248940 /nfs/dbraw/zinc/24/89/40/362248940.db2.gz BUGADDSXOUEOPL-HNNXBMFYSA-N 1 0 293.411 2.015 10 0 CEAERO COc1ccc(Br)c([C@@H](O)[C@H](C)C[NH3+])c1 ZINC000083563654 178581549 /nfs/dbraw/zinc/58/15/49/178581549.db2.gz VGTFHANIPQNVIQ-HQJQHLMTSA-N 1 0 274.158 2.086 10 0 CEAERO CNC(=O)[C@H]([NH2+]CCSCc1ccccc1)C(C)C ZINC000192735133 529920916 /nfs/dbraw/zinc/92/09/16/529920916.db2.gz KHDWTNNSBVFMSL-CQSZACIVSA-N 1 0 280.437 2.280 10 0 CEAERO CCCc1nnc(NC[C@H]2CCC[N@H+](C)C2)s1 ZINC000091482856 344165367 /nfs/dbraw/zinc/16/53/67/344165367.db2.gz NDZWOCODGBQGQZ-SNVBAGLBSA-N 1 0 254.403 2.244 10 0 CEAERO Cc1cccc2c(NCC3(C(N)=O)CCOCC3)cc[nH+]c12 ZINC000091483226 344165389 /nfs/dbraw/zinc/16/53/89/344165389.db2.gz YOOCYIACQPJORD-UHFFFAOYSA-N 1 0 299.374 2.237 10 0 CEAERO CC(C)(C)c1ccccc1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000132814345 344365893 /nfs/dbraw/zinc/36/58/93/344365893.db2.gz PYNVEKKCULIHFY-AWEZNQCLSA-N 1 0 260.381 2.451 10 0 CEAERO CC(C)([NH3+])[C@H](O)c1cc(Br)cs1 ZINC000129098669 344340850 /nfs/dbraw/zinc/34/08/50/344340850.db2.gz UQMLPKKOONKLIS-SSDOTTSWSA-N 1 0 250.161 2.281 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1Oc1ncccc1Br ZINC000131582532 344358923 /nfs/dbraw/zinc/35/89/23/344358923.db2.gz KHNXKKJCRCERMP-IUCAKERBSA-N 1 0 257.131 2.103 10 0 CEAERO CN(C(=O)C1([NH3+])CCOCC1)[C@H]1CCCc2ccccc21 ZINC000132159229 344361978 /nfs/dbraw/zinc/36/19/78/344361978.db2.gz HKLLULFRWKFCGW-HNNXBMFYSA-N 1 0 288.391 2.030 10 0 CEAERO CC(C)Oc1cncc(N2CCC([NH2+]CC3CC3)CC2)n1 ZINC000133698565 344370362 /nfs/dbraw/zinc/37/03/62/344370362.db2.gz GURDASBLQZJQHI-UHFFFAOYSA-N 1 0 290.411 2.232 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]Cc2cc(C)c(C)cc2C)C1 ZINC000134438863 344373928 /nfs/dbraw/zinc/37/39/28/344373928.db2.gz RHZPZUFGDZYOPH-KRWDZBQOSA-N 1 0 276.424 2.422 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@@H](C)c2cc(F)ccc2F)C1 ZINC000134567596 344375301 /nfs/dbraw/zinc/37/53/01/344375301.db2.gz UYLKLBHGTUVDSM-AAEUAGOBSA-N 1 0 284.350 2.336 10 0 CEAERO CC(C)(O)[C@@H](CN1CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000139176558 344391930 /nfs/dbraw/zinc/39/19/30/344391930.db2.gz PDCLGEOHVQIEGP-AWEZNQCLSA-N 1 0 282.815 2.100 10 0 CEAERO CCS(=O)(=O)c1c(Cl)cc(Cl)cc1C[NH3+] ZINC000143512773 344405715 /nfs/dbraw/zinc/40/57/15/344405715.db2.gz IRXINDHYDWQPND-UHFFFAOYSA-N 1 0 268.165 2.246 10 0 CEAERO CC(C)(C)[NH2+]CC(=O)N1CCc2ccccc2CC1 ZINC000083662287 178671527 /nfs/dbraw/zinc/67/15/27/178671527.db2.gz HTGINSSAHVWMLD-UHFFFAOYSA-N 1 0 260.381 2.002 10 0 CEAERO CC[C@](C)(C[NH3+])Nc1ccncc1Br ZINC000160026753 344457002 /nfs/dbraw/zinc/45/70/02/344457002.db2.gz VAZWEEWLHXDBSW-SNVBAGLBSA-N 1 0 258.163 2.383 10 0 CEAERO CCN(C)c1ccc(C(N)=[NH2+])cc1Br ZINC000169204909 344481613 /nfs/dbraw/zinc/48/16/13/344481613.db2.gz PULHZLQEYUORNK-UHFFFAOYSA-N 1 0 256.147 2.189 10 0 CEAERO CCCC[C@@H](CC)C[N@@H+]1CCC(O)=C(C(=O)OC)C1 ZINC000169676075 344481886 /nfs/dbraw/zinc/48/18/86/344481886.db2.gz LTRLWTREJPLHDV-OLZOCXBDSA-N 1 0 269.385 2.267 10 0 CEAERO Cc1csc2c1ncnc2NCC1CC[NH2+]CC1 ZINC000222331459 344540569 /nfs/dbraw/zinc/54/05/69/344540569.db2.gz WXBARMAQUQMTBW-UHFFFAOYSA-N 1 0 262.382 2.411 10 0 CEAERO CC(C)(C)OC(=O)Nc1ccc(NC2CC([NH3+])C2)cn1 ZINC000227621628 344555991 /nfs/dbraw/zinc/55/59/91/344555991.db2.gz XIRQIYJFRIQPMT-UHFFFAOYSA-N 1 0 278.356 2.330 10 0 CEAERO CCCCOC[C@@H](O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000227907787 344557485 /nfs/dbraw/zinc/55/74/85/344557485.db2.gz COTDOTWJCBPZOE-KKUMJFAQSA-N 1 0 255.402 2.429 10 0 CEAERO CCCCOC[C@H](O)C[NH2+][C@H](C)Cc1cccs1 ZINC000227892543 344557732 /nfs/dbraw/zinc/55/77/32/344557732.db2.gz DSNKBVAMXZRMPM-CHWSQXEVSA-N 1 0 271.426 2.446 10 0 CEAERO CCN1C(=[NH2+])NC[C@H]1c1sccc1Br ZINC000228027200 344558156 /nfs/dbraw/zinc/55/81/56/344558156.db2.gz MEPKSZMUZMDURQ-ZETCQYMHSA-N 1 0 274.187 2.202 10 0 CEAERO C[C@@H]([NH3+])C[C@@H](O)c1ccc(I)cc1 ZINC000235155968 344589645 /nfs/dbraw/zinc/58/96/45/344589645.db2.gz ZONCIDVAMTYPDU-GMSGAONNSA-N 1 0 291.132 2.062 10 0 CEAERO [NH3+][C@@H]1CCN(c2c(F)cccc2Br)C1 ZINC000232131109 344576968 /nfs/dbraw/zinc/57/69/68/344576968.db2.gz NMYOEICKBOXTPO-SSDOTTSWSA-N 1 0 259.122 2.126 10 0 CEAERO CC(C)C1CCN(C(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000232531727 344578172 /nfs/dbraw/zinc/57/81/72/344578172.db2.gz ZLQGCIOIIOJCFJ-ZDUSSCGKSA-N 1 0 252.402 2.271 10 0 CEAERO Cc1ccc(C[NH2+]C[C@H]2CN(C)CCO2)c(Cl)c1 ZINC000234352085 344584364 /nfs/dbraw/zinc/58/43/64/344584364.db2.gz DETJTQTUCMVVJF-ZDUSSCGKSA-N 1 0 268.788 2.069 10 0 CEAERO CN(C)C[C@@H]([NH3+])c1cccc(Br)c1F ZINC000234269195 344584465 /nfs/dbraw/zinc/58/44/65/344584465.db2.gz ZUGIEXOWKRXZTI-SECBINFHSA-N 1 0 261.138 2.150 10 0 CEAERO COc1cccc(Cl)c1CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000234880404 344588304 /nfs/dbraw/zinc/58/83/04/344588304.db2.gz JHCUSGVWDIZUFX-LLVKDONJSA-N 1 0 296.798 2.355 10 0 CEAERO CC(=O)Nc1ccc(C[NH2+][C@H]2CCCC[C@H]2O)cc1 ZINC000051990953 362454844 /nfs/dbraw/zinc/45/48/44/362454844.db2.gz DKDRROVSDKRDNP-LSDHHAIUSA-N 1 0 262.353 2.038 10 0 CEAERO CCOCC[N@@H+]1CCN(Cc2cccc(OC)c2)C[C@H]1C ZINC000246778692 344618123 /nfs/dbraw/zinc/61/81/23/344618123.db2.gz ZEYDMJFUHOWWOT-OAHLLOKOSA-N 1 0 292.423 2.238 10 0 CEAERO [NH3+]Cc1nc2c(cc(Cl)cc2Br)[nH]1 ZINC000238637035 344607247 /nfs/dbraw/zinc/60/72/47/344607247.db2.gz XKJOYMAPBGGZNV-UHFFFAOYSA-N 1 0 260.522 2.438 10 0 CEAERO C[NH+](C)C[C@@H](NC(=O)NCc1ccccn1)c1ccccc1 ZINC000053249324 362489168 /nfs/dbraw/zinc/48/91/68/362489168.db2.gz WAFBPDJEECWNMG-MRXNPFEDSA-N 1 0 298.390 2.184 10 0 CEAERO O=S1(=O)CC[C@H](C[NH2+][C@H]2CCCC[C@H]2C(F)(F)F)C1 ZINC000251339384 344636159 /nfs/dbraw/zinc/63/61/59/344636159.db2.gz PXIWWRMSYDRDKW-MXWKQRLJSA-N 1 0 299.358 2.132 10 0 CEAERO [NH3+][C@H]1CC[C@H](CNc2nc(Br)cs2)C1 ZINC000307275331 344721438 /nfs/dbraw/zinc/72/14/38/344721438.db2.gz QIWPSLYBRZEKFA-BQBZGAKWSA-N 1 0 276.203 2.445 10 0 CEAERO C[C@@H]([NH3+])[C@@H](C)Nc1ccccc1I ZINC000307437603 344722834 /nfs/dbraw/zinc/72/28/34/344722834.db2.gz UVFIXGZDAPFZSY-HTQZYQBOSA-N 1 0 290.148 2.439 10 0 CEAERO CC(C)C[C@@H]1CCN(C(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000307785027 344724830 /nfs/dbraw/zinc/72/48/30/344724830.db2.gz ASEVFJSSNXMGKF-KGLIPLIRSA-N 1 0 252.402 2.271 10 0 CEAERO Cc1ccc(Br)cc1OCC1C[NH2+]C1 ZINC000306559843 344714654 /nfs/dbraw/zinc/71/46/54/344714654.db2.gz LSFAMRUWRNRRSN-UHFFFAOYSA-N 1 0 256.143 2.356 10 0 CEAERO [NH3+][C@@H]1CCO[C@H]1c1cccc(Br)c1F ZINC000306566256 344714680 /nfs/dbraw/zinc/71/46/80/344714680.db2.gz SBKXKVFVAPYNEG-SCZZXKLOSA-N 1 0 260.106 2.377 10 0 CEAERO CC1(C)CN(c2c(N)c[nH+]cc2Br)C1 ZINC000306677798 344716191 /nfs/dbraw/zinc/71/61/91/344716191.db2.gz ZWCOHINNCQYEAQ-UHFFFAOYSA-N 1 0 256.147 2.273 10 0 CEAERO O=[S@](c1cc(Cl)cc(Cl)c1)C1C[NH2+]C1 ZINC000306826213 344717776 /nfs/dbraw/zinc/71/77/76/344717776.db2.gz ZEDQTKGPXJHKCR-CQSZACIVSA-N 1 0 250.150 2.073 10 0 CEAERO O[C@@H](C[NH2+][C@@H](C1CC1)C1CCC1)COCc1ccco1 ZINC000324990343 344754590 /nfs/dbraw/zinc/75/45/90/344754590.db2.gz VGTSGGPRNABJQH-GOEBONIOSA-N 1 0 279.380 2.325 10 0 CEAERO O[C@H](C[NH2+][C@@H](C1CC1)C1CCC1)COCc1ccco1 ZINC000324990342 344754712 /nfs/dbraw/zinc/75/47/12/344754712.db2.gz VGTSGGPRNABJQH-GDBMZVCRSA-N 1 0 279.380 2.325 10 0 CEAERO CCc1nc(CN(C)C(=O)[C@H]2CCC[C@H]([NH3+])C2)cs1 ZINC000328298805 344755164 /nfs/dbraw/zinc/75/51/64/344755164.db2.gz CXFIAPOVLIIKFU-QWRGUYRKSA-N 1 0 281.425 2.181 10 0 CEAERO NC[C@H]([NH2+]CC1CC1)c1ccc(Br)cc1 ZINC000083763856 178744045 /nfs/dbraw/zinc/74/40/45/178744045.db2.gz OPUVUBNXPUSJTF-LBPRGKRZSA-N 1 0 269.186 2.449 10 0 CEAERO C[C@H]1Nc2ccccc2C[C@H]1C(=O)NCC(C)(C)[NH+](C)C ZINC000083768010 178744931 /nfs/dbraw/zinc/74/49/31/178744931.db2.gz VHKPPIJRDQKLCL-TZMCWYRMSA-N 1 0 289.423 2.116 10 0 CEAERO C[C@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C[NH2+]1 ZINC000398959301 344856431 /nfs/dbraw/zinc/85/64/31/344856431.db2.gz LATHDXCRRULWDD-DTWKUNHWSA-N 1 0 253.277 2.286 10 0 CEAERO C[C@@H]([NH2+]C1CCN(CCO)CC1)c1cccc(Cl)c1 ZINC000399043663 344857071 /nfs/dbraw/zinc/85/70/71/344857071.db2.gz RMVVPYACVCTXLA-GFCCVEGCSA-N 1 0 282.815 2.447 10 0 CEAERO C[C@@H](NC1CC[NH+](CCO)CC1)c1cc(F)ccc1F ZINC000399247325 344857849 /nfs/dbraw/zinc/85/78/49/344857849.db2.gz KKQVMYZMQBXRBO-LLVKDONJSA-N 1 0 284.350 2.072 10 0 CEAERO CCOc1ccc(N)cc1C[N@@H+]1CC[C@@H](COC)C1 ZINC000083898071 178761532 /nfs/dbraw/zinc/76/15/32/178761532.db2.gz VRDIIIGZGSUKHU-GFCCVEGCSA-N 1 0 264.369 2.136 10 0 CEAERO CCOc1ccc([C@H](C)[NH3+])cc1C[S@](=O)CCOC ZINC000084036317 178775732 /nfs/dbraw/zinc/77/57/32/178775732.db2.gz ABWFFFDXOIZPEX-WLRWDXFRSA-N 1 0 285.409 2.000 10 0 CEAERO CCOC(=O)[C@H](CC)Oc1ccc(C[NH2+]C)cc1 ZINC000084098511 178788633 /nfs/dbraw/zinc/78/86/33/178788633.db2.gz LPDICOBGHNFFPG-ZDUSSCGKSA-N 1 0 251.326 2.127 10 0 CEAERO COCCOc1cc(C[C@@H]([NH3+])C2(C)CC2)ccc1OC ZINC000584595184 344961301 /nfs/dbraw/zinc/96/13/01/344961301.db2.gz YUNGBMUBTQVQQL-OAHLLOKOSA-N 1 0 279.380 2.390 10 0 CEAERO O=C([C@H]1CCCC[C@H]1[NH+]1CCCC1)N1CCCC1 ZINC000584605945 344964118 /nfs/dbraw/zinc/96/41/18/344964118.db2.gz ACNLORUZHFFDDZ-UONOGXRCSA-N 1 0 250.386 2.263 10 0 CEAERO [NH3+][C@H]1COc2cc(Nc3ncc(Cl)cn3)ccc2C1 ZINC000584626402 344968387 /nfs/dbraw/zinc/96/83/87/344968387.db2.gz YGTDUDOCECWACA-SNVBAGLBSA-N 1 0 276.727 2.136 10 0 CEAERO CCOC(=O)C=Cc1c(C)[nH+]cc(Br)c1N ZINC000584627584 344968729 /nfs/dbraw/zinc/96/87/29/344968729.db2.gz QXPUTOYTFOOJFP-SNAWJCMRSA-N 1 0 285.141 2.141 10 0 CEAERO C[N@H+]1C[C@H](C(O)(c2ccccc2)c2ccccc2)C[C@H](O)C1 ZINC000584631779 344970016 /nfs/dbraw/zinc/97/00/16/344970016.db2.gz VYIWRCQCGWIWKO-MSOLQXFVSA-N 1 0 297.398 2.235 10 0 CEAERO CCCCCC[N@@H+]1CCN2C(=O)N(CC)CC[C@@H]2C1 ZINC000584640270 344971456 /nfs/dbraw/zinc/97/14/56/344971456.db2.gz UWGZCEVBUCIAAG-CQSZACIVSA-N 1 0 267.417 2.399 10 0 CEAERO CCS(=O)(=O)CCSc1cccc([C@@H](C)[NH3+])c1 ZINC000084123286 178798036 /nfs/dbraw/zinc/79/80/36/178798036.db2.gz CSDYEQMGYHHBIZ-SNVBAGLBSA-N 1 0 273.423 2.233 10 0 CEAERO C[NH2+][C@@H](C)c1cccc(SCC(=O)NCCCOC)c1 ZINC000084124576 178798501 /nfs/dbraw/zinc/79/85/01/178798501.db2.gz BLTSLBFLBNJGGK-LBPRGKRZSA-N 1 0 296.436 2.212 10 0 CEAERO COCC[NH2+]C[C@H](C)Cc1occc1Br ZINC000084141648 178800120 /nfs/dbraw/zinc/80/01/20/178800120.db2.gz QOOMWUREPFEJAB-SECBINFHSA-N 1 0 276.174 2.457 10 0 CEAERO CC[NH+](CC)c1ccc(N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000054009849 362505400 /nfs/dbraw/zinc/50/54/00/362505400.db2.gz OVRDYJQFCJAHEO-CYBMUJFWSA-N 1 0 282.409 2.132 10 0 CEAERO C[NH2+][C@H](C)C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000054071728 362509072 /nfs/dbraw/zinc/50/90/72/362509072.db2.gz XOPIPLBUUQHYMD-SSDOTTSWSA-N 1 0 262.231 2.132 10 0 CEAERO O=C(Nc1ccc2ncccc2c1)[C@H]1CCC[NH2+]C1 ZINC000054108627 362511475 /nfs/dbraw/zinc/51/14/75/362511475.db2.gz SGRYYFMZUMACQH-LBPRGKRZSA-N 1 0 255.321 2.173 10 0 CEAERO CC[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054291499 362523064 /nfs/dbraw/zinc/52/30/64/362523064.db2.gz NMPUEPFWYYXQJV-BFHYXJOUSA-N 1 0 252.402 2.461 10 0 CEAERO Cc1c(F)cccc1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054292146 362523215 /nfs/dbraw/zinc/52/32/15/362523215.db2.gz NKSIJEMPHCNKQR-LLVKDONJSA-N 1 0 250.317 2.462 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1ccccc1-n1ccnc1 ZINC000054306451 362525111 /nfs/dbraw/zinc/52/51/11/362525111.db2.gz SLHRWIXESITMEJ-CYBMUJFWSA-N 1 0 284.363 2.201 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)NCc1cccc(Cl)c1 ZINC000054306019 362525635 /nfs/dbraw/zinc/52/56/35/362525635.db2.gz MHIWRPFFEAMQBZ-LBPRGKRZSA-N 1 0 266.772 2.346 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1nc2c(s1)CCCC2 ZINC000054308965 362526587 /nfs/dbraw/zinc/52/65/87/362526587.db2.gz XCDJHUVXXYDFOP-SNVBAGLBSA-N 1 0 279.409 2.350 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1nc2c(s1)CCCC2 ZINC000054308964 362526607 /nfs/dbraw/zinc/52/66/07/362526607.db2.gz XCDJHUVXXYDFOP-JTQLQIEISA-N 1 0 279.409 2.350 10 0 CEAERO C[C@@H]1CN(C(=O)CC2([NH3+])CCCC2)C[C@H](C)S1 ZINC000084187426 178821168 /nfs/dbraw/zinc/82/11/68/178821168.db2.gz MJNYRQFPRLLYTK-PHIMTYICSA-N 1 0 256.415 2.000 10 0 CEAERO Cc1cccc(F)c1NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000225030115 539441580 /nfs/dbraw/zinc/44/15/80/539441580.db2.gz XESMNYUASSNHMV-WDEREUQCSA-N 1 0 250.317 2.448 10 0 CEAERO CCc1ccccc1CNC(=O)C[C@@H]1CCCC[NH2+]1 ZINC000084204420 178823976 /nfs/dbraw/zinc/82/39/76/178823976.db2.gz HKKKSEPGPGEJJY-HNNXBMFYSA-N 1 0 260.381 2.397 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1Oc1ncc(Br)cn1 ZINC000084242552 178831103 /nfs/dbraw/zinc/83/11/03/178831103.db2.gz GOQZWZRKZNWTMF-WCBMZHEXSA-N 1 0 286.173 2.135 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@@H]1S(=O)(=O)c1ccc(F)cc1F ZINC000084269760 178836695 /nfs/dbraw/zinc/83/66/95/178836695.db2.gz GORKENYEWMGDAX-SKDRFNHKSA-N 1 0 289.347 2.256 10 0 CEAERO Cc1ccccc1CS(=O)(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084272280 178838887 /nfs/dbraw/zinc/83/88/87/178838887.db2.gz NAFCGFABHMJYIX-TZMCWYRMSA-N 1 0 267.394 2.037 10 0 CEAERO [NH3+][C@H]1CC[C@@H](c2nc(COc3ccccc3)no2)C1 ZINC000097068202 185521081 /nfs/dbraw/zinc/52/10/81/185521081.db2.gz PHTUXJXUTATHSN-MNOVXSKESA-N 1 0 259.309 2.243 10 0 CEAERO [NH3+][C@H]1CC[C@H](c2nc(Cc3ccccc3F)no2)C1 ZINC000097068029 185521335 /nfs/dbraw/zinc/52/13/35/185521335.db2.gz JCNBCOOCRUMDJY-QWRGUYRKSA-N 1 0 261.300 2.394 10 0 CEAERO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000084267931 178834938 /nfs/dbraw/zinc/83/49/38/178834938.db2.gz IBVCWUYVKHPLLH-JSGCOSHPSA-N 1 0 267.394 2.286 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1S(=O)(=O)c1ccc(F)cc1 ZINC000084268063 178835378 /nfs/dbraw/zinc/83/53/78/178835378.db2.gz RBUBJBYQJTVHNY-GXFFZTMASA-N 1 0 271.357 2.117 10 0 CEAERO Cc1nn(C)c(C[C@@H]2CCC[NH2+]C2)c1Br ZINC000084276480 178840636 /nfs/dbraw/zinc/84/06/36/178840636.db2.gz POLUWNTXZNCNFO-VIFPVBQESA-N 1 0 272.190 2.033 10 0 CEAERO CCn1nc(C)c(Br)c1COCC(C)(C)[NH3+] ZINC000084278677 178841831 /nfs/dbraw/zinc/84/18/31/178841831.db2.gz WAXJLOYTXRUACW-UHFFFAOYSA-N 1 0 290.205 2.228 10 0 CEAERO CC(C)[NH2+][C@](C)(C[C@H](C)[NH+]1CCC(C)CC1)C(=O)[O-] ZINC000084298644 178849419 /nfs/dbraw/zinc/84/94/19/178849419.db2.gz WLQYXLGFFPSXAB-DZGCQCFKSA-N 1 0 270.417 2.338 10 0 CEAERO Cc1ccccc1CS(=O)(=O)[C@H](C)C[C@@H](C)[NH3+] ZINC000084357653 178868392 /nfs/dbraw/zinc/86/83/92/178868392.db2.gz NREBBKLKUAKKQH-VXGBXAGGSA-N 1 0 255.383 2.036 10 0 CEAERO [NH3+][C@H](C[C@H]1CCS(=O)(=O)C1)c1cccc2cnccc21 ZINC000097123592 185541651 /nfs/dbraw/zinc/54/16/51/185541651.db2.gz QYXKBCJQEWEYLP-IAQYHMDHSA-N 1 0 290.388 2.059 10 0 CEAERO CC[NH2+][C@@](C)(C[C@H](C)OCCCC(C)C)C(N)=O ZINC000084366779 178874726 /nfs/dbraw/zinc/87/47/26/178874726.db2.gz BUQJDZLNUDCQFG-JSGCOSHPSA-N 1 0 258.406 2.071 10 0 CEAERO [NH3+][C@H]1CC[C@H](S(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000084433693 178887475 /nfs/dbraw/zinc/88/74/75/178887475.db2.gz WFRCODADMVFBNQ-YUMQZZPRSA-N 1 0 277.748 2.133 10 0 CEAERO CCC[NH2+][C@@H](c1cc(C)nn1CC)[C@H]1CCOC1 ZINC000097181553 185556146 /nfs/dbraw/zinc/55/61/46/185556146.db2.gz FNPMDEMSJXYRSA-GXTWGEPZSA-N 1 0 251.374 2.289 10 0 CEAERO CC[NH2+][C@@H]1CCC[C@@H](S(=O)(=O)c2ccccc2)C1 ZINC000084429812 178885932 /nfs/dbraw/zinc/88/59/32/178885932.db2.gz HJNFAEGBGNNGKJ-TZMCWYRMSA-N 1 0 267.394 2.381 10 0 CEAERO CCC[NH2+][C@H]1CCC[C@@H](SCCS(C)(=O)=O)C1 ZINC000084430986 178886421 /nfs/dbraw/zinc/88/64/21/178886421.db2.gz JXRXYFDOLFBJTG-NWDGAFQWSA-N 1 0 279.471 2.075 10 0 CEAERO C[NH2+][C@@H]1C[C@H](C)C[C@@H](C)[C@@H]1S(=O)(=O)CC(C)C ZINC000084471979 178892688 /nfs/dbraw/zinc/89/26/88/178892688.db2.gz UEJBTLRGFDNJEE-LPWJVIDDSA-N 1 0 261.431 2.080 10 0 CEAERO Cc1ccc(CN(C)CC[N@H+](C)CCO)c(Cl)c1 ZINC000623090569 349935300 /nfs/dbraw/zinc/93/53/00/349935300.db2.gz UEEFIASJBVXDLM-UHFFFAOYSA-N 1 0 270.804 2.004 10 0 CEAERO Cc1cccc(CN2CCO[C@@H](C[NH+](C)C)C2)c1C ZINC000128236146 187359602 /nfs/dbraw/zinc/35/96/02/187359602.db2.gz LRIVIFFURCJYGX-INIZCTEOSA-N 1 0 262.397 2.066 10 0 CEAERO CCn1nc(C)cc1C[C@@H]([NH3+])[C@@H]1OCCc2ccccc21 ZINC000097281293 185579022 /nfs/dbraw/zinc/57/90/22/185579022.db2.gz YBYIZWANWFZYHH-IAGOWNOFSA-N 1 0 285.391 2.395 10 0 CEAERO CCn1c(C[C@H]([NH2+]C)c2ccnn2C)nc2ccccc21 ZINC000097303650 185580603 /nfs/dbraw/zinc/58/06/03/185580603.db2.gz UXZCNTTUTRVVMA-ZDUSSCGKSA-N 1 0 283.379 2.293 10 0 CEAERO CCn1c2ccccc2nc1C[C@@H]([NH3+])c1ccnn1C ZINC000097303641 185581214 /nfs/dbraw/zinc/58/12/14/185581214.db2.gz VFMGQDBDZIPEPF-LLVKDONJSA-N 1 0 269.352 2.032 10 0 CEAERO CC[NH2+][C@H](CCc1ccccn1)Cc1cc(C)nn1C ZINC000097273459 185576150 /nfs/dbraw/zinc/57/61/50/185576150.db2.gz ALURESSYTLYSQO-OAHLLOKOSA-N 1 0 272.396 2.277 10 0 CEAERO CC(C)n1ncnc1C[C@H]([NH3+])c1cccc2nccnc21 ZINC000097277334 185576403 /nfs/dbraw/zinc/57/64/03/185576403.db2.gz WZHBJKKWCPYSGU-LBPRGKRZSA-N 1 0 282.351 2.045 10 0 CEAERO CC[NH2+][C@@H](CCCOCC)Cc1ncnn1C(C)C ZINC000097277414 185576799 /nfs/dbraw/zinc/57/67/99/185576799.db2.gz DNESWJQZIBZBCT-ZDUSSCGKSA-N 1 0 268.405 2.196 10 0 CEAERO CCn1nc(C[C@H]([NH3+])c2cc(C)nn2C)c2ccccc21 ZINC000097277266 185576800 /nfs/dbraw/zinc/57/68/00/185576800.db2.gz IFPDNKKEFNXHTN-ZDUSSCGKSA-N 1 0 283.379 2.341 10 0 CEAERO CCc1nn(C)c(C[C@H]([NH3+])c2c(C)nn(C)c2C)c1Cl ZINC000097276190 185577150 /nfs/dbraw/zinc/57/71/50/185577150.db2.gz AMORHLTWWXBFJG-JTQLQIEISA-N 1 0 295.818 2.229 10 0 CEAERO Cc1c(C(=O)NC2C[C@@H](C)C[C@H](C)C2)cnn1CCC[NH3+] ZINC000084971935 178936098 /nfs/dbraw/zinc/93/60/98/178936098.db2.gz XYEWVYQAQTYUTF-RYUDHWBXSA-N 1 0 292.427 2.095 10 0 CEAERO CC(C)CCn1cccc1CN1CCO[C@H](C[NH+](C)C)C1 ZINC000128257118 187360520 /nfs/dbraw/zinc/36/05/20/187360520.db2.gz SHTJUPLAXAFAMW-QGZVFWFLSA-N 1 0 293.455 2.297 10 0 CEAERO [NH3+][C@@H](Cc1cn2ccsc2n1)Cn1cnc2ccccc21 ZINC000097349267 185588310 /nfs/dbraw/zinc/58/83/10/185588310.db2.gz YFJMMRNUXRSJGD-NSHDSACASA-N 1 0 297.387 2.316 10 0 CEAERO COCC(=O)N1CCC([NH2+][C@H]2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC000084986503 178938689 /nfs/dbraw/zinc/93/86/89/178938689.db2.gz NSLWXDNVHMYAAZ-IPYPFGDCSA-N 1 0 282.428 2.038 10 0 CEAERO C[C@](O)(C[NH3+])Cc1nc2cc(Cl)ccc2s1 ZINC000085000356 178941379 /nfs/dbraw/zinc/94/13/79/178941379.db2.gz LCASPSRXBUSNSQ-LLVKDONJSA-N 1 0 256.758 2.202 10 0 CEAERO CC(C)([NH3+])CC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000084168073 539499740 /nfs/dbraw/zinc/49/97/40/539499740.db2.gz OIMKDWLAYFBXHQ-BDAKNGLRSA-N 1 0 266.307 2.351 10 0 CEAERO CC(C)[NH2+]C[C@@H](O)Cc1cc(F)ccc1Br ZINC000084993572 178941579 /nfs/dbraw/zinc/94/15/79/178941579.db2.gz SNTJYOZQZYYQLK-NSHDSACASA-N 1 0 290.176 2.490 10 0 CEAERO COC(=O)C[C@@H](c1ccc(OC)c(OC)c1)C(C)(C)[NH3+] ZINC000097433562 185603093 /nfs/dbraw/zinc/60/30/93/185603093.db2.gz XCKSGBRDOVIDKD-NSHDSACASA-N 1 0 281.352 2.088 10 0 CEAERO CC[C@H]([NH3+])[C@H](CC(=O)OC)c1cc(OC)ccc1OC ZINC000097432582 185602322 /nfs/dbraw/zinc/60/23/22/185602322.db2.gz KVGKLTNFJQTYQA-YPMHNXCESA-N 1 0 281.352 2.088 10 0 CEAERO Cn1ncc(Br)c1[C@H]([NH3+])CCc1ccccn1 ZINC000097461558 185610589 /nfs/dbraw/zinc/61/05/89/185610589.db2.gz MLFRTNARYICBKD-LLVKDONJSA-N 1 0 295.184 2.210 10 0 CEAERO CCO[C@H](C)[C@@H]([NH3+])Cc1ccn(C2CCCC2)n1 ZINC000085183543 178966522 /nfs/dbraw/zinc/96/65/22/178966522.db2.gz AXGFFMLCABWRQY-RISCZKNCSA-N 1 0 251.374 2.293 10 0 CEAERO Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)c2ncccc12 ZINC000094457919 136513232 /nfs/dbraw/zinc/51/32/32/136513232.db2.gz QYBMPZYLRUUVMB-GFCCVEGCSA-N 1 0 268.364 2.101 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCCc2ccccc21 ZINC000094646930 136514339 /nfs/dbraw/zinc/51/43/39/136514339.db2.gz QITQYFZBXLPBOZ-GXTWGEPZSA-N 1 0 258.365 2.354 10 0 CEAERO CC[NH+](CC)C(C)(C)[C@@H](Cc1c(F)cccc1F)NN ZINC000097581030 185629464 /nfs/dbraw/zinc/62/94/64/185629464.db2.gz ZDKBCMZMYCDCJI-CQSZACIVSA-N 1 0 285.382 2.460 10 0 CEAERO C[NH+](C)C1([C@H](Cc2ccncc2Cl)NN)CCCCC1 ZINC000097589283 185633712 /nfs/dbraw/zinc/63/37/12/185633712.db2.gz DMOFCJYQZDFLIU-AWEZNQCLSA-N 1 0 296.846 2.374 10 0 CEAERO CC[NH2+][C@@](C)(CO)C[C@@H](C)n1ncc2ccccc21 ZINC000085262616 178991839 /nfs/dbraw/zinc/99/18/39/178991839.db2.gz HYOOUDJBPNSYDD-IUODEOHRSA-N 1 0 261.369 2.348 10 0 CEAERO CCC[NH2+][C@@](CO)(COc1ccc(F)cc1)C1CC1 ZINC000085285071 179002620 /nfs/dbraw/zinc/00/26/20/179002620.db2.gz JKIGUXRCRYSMDH-HNNXBMFYSA-N 1 0 267.344 2.345 10 0 CEAERO C[C@@](CO)(CCOc1ccc(F)cc1F)[NH2+]C1CC1 ZINC000085283084 179000887 /nfs/dbraw/zinc/00/08/87/179000887.db2.gz PMKJTCYCARRJJE-AWEZNQCLSA-N 1 0 271.307 2.237 10 0 CEAERO C[C@@]([NH3+])(CO)CCCCOc1ccc(F)cc1F ZINC000085283098 179001111 /nfs/dbraw/zinc/00/11/11/179001111.db2.gz XGNAUJTUIADJEN-ZDUSSCGKSA-N 1 0 259.296 2.224 10 0 CEAERO CC[NH2+][C@](C)(CO)CCOc1cccc(C)c1C ZINC000085283916 179001553 /nfs/dbraw/zinc/00/15/53/179001553.db2.gz NIJTUXHWGJHOLX-HNNXBMFYSA-N 1 0 251.370 2.433 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)Cn1ccnc1-c1cccs1 ZINC000085264605 178994666 /nfs/dbraw/zinc/99/46/66/178994666.db2.gz KLVWQPMUSKHSJL-CQSZACIVSA-N 1 0 279.409 2.361 10 0 CEAERO CC[NH2+][C@](C)(CO)CCCCOC[C@H]1CCCCO1 ZINC000085269929 178997736 /nfs/dbraw/zinc/99/77/36/178997736.db2.gz QGKXETVORFJWEW-CABCVRRESA-N 1 0 273.417 2.103 10 0 CEAERO CC[NH2+][C@](CO)(COc1cc(C)cc(C)c1)C1CC1 ZINC000085284750 179002793 /nfs/dbraw/zinc/00/27/93/179002793.db2.gz JMHDTQZMLNJCAK-MRXNPFEDSA-N 1 0 263.381 2.433 10 0 CEAERO Cc1ccc2[nH]c(S[C@@H](C)C[C@@](C)([NH3+])CO)nc2c1 ZINC000085288273 179005460 /nfs/dbraw/zinc/00/54/60/179005460.db2.gz KNHSCQAFSSNMQV-IINYFYTJSA-N 1 0 279.409 2.452 10 0 CEAERO C[C@@](CO)(CSc1nc2ccccc2[nH]1)[NH2+]C1CC1 ZINC000085291731 179007312 /nfs/dbraw/zinc/00/73/12/179007312.db2.gz JGKSXRSDWRYAAT-CQSZACIVSA-N 1 0 277.393 2.158 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)CCCSc1nccn1C ZINC000085299080 179009355 /nfs/dbraw/zinc/00/93/55/179009355.db2.gz KUOXUFKFNFLMDC-ZDUSSCGKSA-N 1 0 271.430 2.041 10 0 CEAERO Cc1cnc(SC[C@](CO)([NH2+]C(C)C)C2CC2)nc1 ZINC000085297752 179009554 /nfs/dbraw/zinc/00/95/54/179009554.db2.gz FMISVLNSUATZOV-AWEZNQCLSA-N 1 0 281.425 2.016 10 0 CEAERO CN(CCCC[C@](C)(O)C[NH3+])c1ccc(F)cc1 ZINC000085303480 179011088 /nfs/dbraw/zinc/01/10/88/179011088.db2.gz NHNSHQZXNYKRSE-AWEZNQCLSA-N 1 0 254.349 2.142 10 0 CEAERO CCN(CCCC[C@](C)(O)C[NH3+])c1ccccc1 ZINC000085304287 179011373 /nfs/dbraw/zinc/01/13/73/179011373.db2.gz SSSHLJZGVNGZON-HNNXBMFYSA-N 1 0 250.386 2.393 10 0 CEAERO Cc1ccccc1OC[C@@](O)(C[NH3+])c1ccccc1 ZINC000085307040 179012397 /nfs/dbraw/zinc/01/23/97/179012397.db2.gz XCIMXQGNLMMNMD-INIZCTEOSA-N 1 0 257.333 2.220 10 0 CEAERO C[C@H](C[NH3+])SCc1nc(-c2ccsc2)no1 ZINC000085307623 179012483 /nfs/dbraw/zinc/01/24/83/179012483.db2.gz WLELKDATIZWGGQ-SSDOTTSWSA-N 1 0 255.368 2.379 10 0 CEAERO C[C@@](O)(C[NH3+])CCCCOc1ccc(F)c(F)c1 ZINC000085307590 179012781 /nfs/dbraw/zinc/01/27/81/179012781.db2.gz BCKKCBNFDSXTLX-ZDUSSCGKSA-N 1 0 259.296 2.224 10 0 CEAERO C[C@](O)(C[NH3+])CCCOc1cccc2cccnc21 ZINC000085306271 179012838 /nfs/dbraw/zinc/01/28/38/179012838.db2.gz JSNGBCSPKJRKAQ-OAHLLOKOSA-N 1 0 260.337 2.104 10 0 CEAERO C[C@@H](C[C@](C)(O)C[NH3+])Sc1ncnc2ccccc21 ZINC000085320449 179013958 /nfs/dbraw/zinc/01/39/58/179013958.db2.gz SCVFVIUGPSTAAN-HZMBPMFUSA-N 1 0 277.393 2.210 10 0 CEAERO COc1ccccc1SCCC[C@](C)(O)C[NH3+] ZINC000085320466 179014189 /nfs/dbraw/zinc/01/41/89/179014189.db2.gz WNIPVZFEJFVRTA-ZDUSSCGKSA-N 1 0 255.383 2.277 10 0 CEAERO CCC[NH2+][C@H](CCO)c1ccc(OC)c(OC)c1 ZINC000085320618 179014281 /nfs/dbraw/zinc/01/42/81/179014281.db2.gz NFADESNSJHGZJJ-GFCCVEGCSA-N 1 0 253.342 2.127 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1c1nnc2ccc(C(F)(F)F)cn21 ZINC000085324975 179017805 /nfs/dbraw/zinc/01/78/05/179017805.db2.gz JLZTZDQSQWLBPQ-RKDXNWHRSA-N 1 0 270.258 2.343 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1ccc(F)c(F)c1 ZINC000085356630 179030840 /nfs/dbraw/zinc/03/08/40/179030840.db2.gz ISHPVANHFNFTJX-BXKDBHETSA-N 1 0 254.280 2.421 10 0 CEAERO CC(=O)Nc1cccc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000085357422 179030850 /nfs/dbraw/zinc/03/08/50/179030850.db2.gz LPTRSKURVLXDFG-KBPBESRZSA-N 1 0 275.352 2.101 10 0 CEAERO CN(C(=O)[C@@H]1CCC[C@@H]1[NH3+])[C@@H]1CCc2ccccc21 ZINC000085358860 179031336 /nfs/dbraw/zinc/03/13/36/179031336.db2.gz WZHXKAZUWGNVSI-QLFBSQMISA-N 1 0 258.365 2.260 10 0 CEAERO C[C@@H](NC(=O)[C@H]1CCC[C@@H]1[NH3+])c1ccc(F)cc1F ZINC000085360617 179033073 /nfs/dbraw/zinc/03/30/73/179033073.db2.gz DWEGURPVBBPXER-WLTAIBSBSA-N 1 0 268.307 2.269 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1ccccc1-n1cccn1 ZINC000085362160 179033718 /nfs/dbraw/zinc/03/37/18/179033718.db2.gz HPFCHDBBNAGORN-OLZOCXBDSA-N 1 0 284.363 2.328 10 0 CEAERO C[C@H](CCc1ccc(O)cc1)NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085363988 179035513 /nfs/dbraw/zinc/03/55/13/179035513.db2.gz XBNURIKCNJEJLB-KCXAZCMYSA-N 1 0 290.407 2.347 10 0 CEAERO [NH3+][C@@H]1COC[C@@H]1c1nc2cc(Br)ccc2s1 ZINC000085352955 179029955 /nfs/dbraw/zinc/02/99/55/179029955.db2.gz CPYJUPLFOALELO-JGVFFNPUSA-N 1 0 299.193 2.500 10 0 CEAERO Cc1ccccc1OCCN(C)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085367443 179037600 /nfs/dbraw/zinc/03/76/00/179037600.db2.gz SWOVCBZVNOTUJU-LSDHHAIUSA-N 1 0 290.407 2.350 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)N(Cc1ccco1)C1CC1 ZINC000085368003 179037830 /nfs/dbraw/zinc/03/78/30/179037830.db2.gz XLQBKFWHVCXZRM-KBPBESRZSA-N 1 0 262.353 2.288 10 0 CEAERO CCCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085368406 179038084 /nfs/dbraw/zinc/03/80/84/179038084.db2.gz DCIVDUSWAXKSGN-NXEZZACHSA-N 1 0 266.307 2.305 10 0 CEAERO CN(CCOc1cccc(F)c1)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085368773 179038739 /nfs/dbraw/zinc/03/87/39/179038739.db2.gz WBFAZESVZVYYKD-LSDHHAIUSA-N 1 0 294.370 2.180 10 0 CEAERO CC(C)N(Cc1cccnc1)C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085369168 179038814 /nfs/dbraw/zinc/03/88/14/179038814.db2.gz DPVDVHGJPKOWDM-CABCVRRESA-N 1 0 275.396 2.336 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)N(Cc1cccc(O)c1)C1CC1 ZINC000085369297 179039134 /nfs/dbraw/zinc/03/91/34/179039134.db2.gz FEZWEMUCBCMRSB-GJZGRUSLSA-N 1 0 274.364 2.011 10 0 CEAERO CCOC(=O)c1cccc(NC(=O)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000085371890 179041731 /nfs/dbraw/zinc/04/17/31/179041731.db2.gz NCXAAYVMIIMXEQ-UONOGXRCSA-N 1 0 290.363 2.319 10 0 CEAERO CN(C(=O)[C@@H]1CCCC[C@@H]1[NH3+])c1ccccc1F ZINC000085373571 179042724 /nfs/dbraw/zinc/04/27/24/179042724.db2.gz VJKABRHKSGSFME-PWSUYJOCSA-N 1 0 250.317 2.306 10 0 CEAERO CN(C(=O)[C@H]1CCCC[C@@H]1[NH3+])c1ccc(F)cc1 ZINC000085373398 179042904 /nfs/dbraw/zinc/04/29/04/179042904.db2.gz ILQFWZDPPVVILV-STQMWFEESA-N 1 0 250.317 2.306 10 0 CEAERO CCc1ccccc1CNC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085376562 179044453 /nfs/dbraw/zinc/04/44/53/179044453.db2.gz CXHQEXHQDNQVFJ-GJZGRUSLSA-N 1 0 260.381 2.383 10 0 CEAERO COCCOCCC[NH2+][C@@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000085399859 179051596 /nfs/dbraw/zinc/05/15/96/179051596.db2.gz JKHLBZYTWWYTHR-HUUCEWRRSA-N 1 0 287.444 2.469 10 0 CEAERO CCCCOCCN(CC(F)(F)F)C1CC[NH2+]CC1 ZINC000085402790 179052565 /nfs/dbraw/zinc/05/25/65/179052565.db2.gz CETFXQWKPRZGDH-UHFFFAOYSA-N 1 0 282.350 2.419 10 0 CEAERO c1ccc2c(c1)CCC[C@H]2CN1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC000085403081 179053264 /nfs/dbraw/zinc/05/32/64/179053264.db2.gz UMPBQUBOQQDGRZ-YQQAZPJKSA-N 1 0 256.393 2.400 10 0 CEAERO C[C@@H]([NH2+]CC(=O)N(C)C)c1cnc2ccsc2c1 ZINC000085433343 179060592 /nfs/dbraw/zinc/06/05/92/179060592.db2.gz OEWSJORMTVRYOV-SECBINFHSA-N 1 0 263.366 2.035 10 0 CEAERO CC[C@H](C)n1ccc(CN2CC[NH2+][C@@](C)(CC)C2)n1 ZINC000085435200 179062040 /nfs/dbraw/zinc/06/20/40/179062040.db2.gz CBJWUTKVOYLGQM-ZFWWWQNUSA-N 1 0 264.417 2.428 10 0 CEAERO C([C@@H]1CCCCO1)N1CC[NH2+]C2(CCCCC2)C1 ZINC000085435377 179062066 /nfs/dbraw/zinc/06/20/66/179062066.db2.gz MYYZVFJSBHGIKS-AWEZNQCLSA-N 1 0 252.402 2.164 10 0 CEAERO CC[C@]1(C)C[NH2+][C@H](C(C)C)CN1Cc1ncccn1 ZINC000085467827 179072815 /nfs/dbraw/zinc/07/28/15/179072815.db2.gz QJAAQYSYSGKXIU-DZGCQCFKSA-N 1 0 262.401 2.075 10 0 CEAERO CC[C@H]1C[NH2+]C(C)(C)CN1CCOCC(F)(F)F ZINC000085469135 179074803 /nfs/dbraw/zinc/07/48/03/179074803.db2.gz IAVOFSZDXNBTAJ-JTQLQIEISA-N 1 0 268.323 2.028 10 0 CEAERO CC(C)[C@@H]1C[N@H+](C[C@@H]2CCOC2)[C@@](C)(C2CC2)CN1 ZINC000085468633 179073930 /nfs/dbraw/zinc/07/39/30/179073930.db2.gz OKAPFHXWFDOIOP-CWRNSKLLSA-N 1 0 266.429 2.121 10 0 CEAERO CC[C@@H]1CNC(C)(C)C[N@@H+]1[C@@H]1CCC[C@H](OC)C1 ZINC000085469321 179074613 /nfs/dbraw/zinc/07/46/13/179074613.db2.gz HELGPQQVDGUQKL-MCIONIFRSA-N 1 0 254.418 2.406 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@H](C(C)C)CN1C[C@@H]1CCCO1 ZINC000085450766 179065322 /nfs/dbraw/zinc/06/53/22/179065322.db2.gz BUCCOMIDNAFLDD-QLFBSQMISA-N 1 0 254.418 2.264 10 0 CEAERO CC(C)CCOCCN1C[C@@H](C(C)C)[NH2+]C[C@@H]1C ZINC000085450206 179065551 /nfs/dbraw/zinc/06/55/51/179065551.db2.gz OOWKQHLWHFIMJJ-GJZGRUSLSA-N 1 0 256.434 2.367 10 0 CEAERO FC(F)(F)CN1CC[NH2+]C[C@@H]1C1CCCCC1 ZINC000085452977 179066812 /nfs/dbraw/zinc/06/68/12/179066812.db2.gz REFCOQBEIRBVSV-LLVKDONJSA-N 1 0 250.308 2.403 10 0 CEAERO C[C@H]1CN(CCc2cccs2)[C@H](C2CC2)C[NH2+]1 ZINC000085453681 179067326 /nfs/dbraw/zinc/06/73/26/179067326.db2.gz SZEXAIGAHZFCEK-FZMZJTMJSA-N 1 0 250.411 2.363 10 0 CEAERO C[C@@H]1CN(CCC(F)(F)F)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085454648 179068162 /nfs/dbraw/zinc/06/81/62/179068162.db2.gz QIRLVFRVWGTZEH-MWLCHTKSSA-N 1 0 250.308 2.401 10 0 CEAERO CCOc1ccc(CC[C@@H](C)[NH3+])cc1NC(C)=O ZINC000098128712 185690542 /nfs/dbraw/zinc/69/05/42/185690542.db2.gz CFGDWIUNHMWNKF-SNVBAGLBSA-N 1 0 250.342 2.324 10 0 CEAERO CC[C@H]1CN(C[C@@H]2CCCCO2)[C@H](C2CC2)C[NH2+]1 ZINC000085473418 179077766 /nfs/dbraw/zinc/07/77/66/179077766.db2.gz JWSBYJAGHUPYPD-KKUMJFAQSA-N 1 0 252.402 2.018 10 0 CEAERO CC[C@@H]1CN(Cc2cccnc2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085475158 179078577 /nfs/dbraw/zinc/07/85/77/179078577.db2.gz XRXMSXSXPIUHTK-HZPDHXFCSA-N 1 0 259.397 2.434 10 0 CEAERO CC[C@]1(C)C[NH2+][C@@H](C(C)(C)C)CN1[C@@H]1CCOC1 ZINC000085486406 179080056 /nfs/dbraw/zinc/08/00/56/179080056.db2.gz SKWFYPUNRUKYHS-UMVBOHGHSA-N 1 0 254.418 2.264 10 0 CEAERO CC(C)C[C@@H]1C[N@H+](C[C@@H]2CCOC2)[C@H](C(C)C)CN1 ZINC000085487808 179081413 /nfs/dbraw/zinc/08/14/13/179081413.db2.gz JNIUDBZOPWWIQW-XHSDSOJGSA-N 1 0 268.445 2.367 10 0 CEAERO CC(C)(C)[C@H]1C[NH2+]C(C)(C)CN1Cc1ncccn1 ZINC000085470797 179075871 /nfs/dbraw/zinc/07/58/71/179075871.db2.gz FZHYSBZLMWVQLG-GFCCVEGCSA-N 1 0 262.401 2.075 10 0 CEAERO C[C@H]1C[NH2+][C@](C)(C2CC2)CN1C[C@@H]1CCCCO1 ZINC000085509275 179085296 /nfs/dbraw/zinc/08/52/96/179085296.db2.gz KUEHFTYGLONEAU-QEJZJMRPSA-N 1 0 252.402 2.018 10 0 CEAERO CC(C)[C@H]1CN[C@@](C)(C2CC2)C[N@@H+]1CCCn1ccnc1 ZINC000085512039 179085321 /nfs/dbraw/zinc/08/53/21/179085321.db2.gz BNQBETSOHBMWIE-IAGOWNOFSA-N 1 0 290.455 2.372 10 0 CEAERO CC[C@H](C)[C@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1cnn(C)c1 ZINC000085513027 179086229 /nfs/dbraw/zinc/08/62/29/179086229.db2.gz LBMWIHHJCSQMTM-IAOVAPTHSA-N 1 0 290.455 2.409 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1cnn(C)c1 ZINC000085512570 179086485 /nfs/dbraw/zinc/08/64/85/179086485.db2.gz NTEOYRUVMPDEPH-JKSUJKDBSA-N 1 0 276.428 2.019 10 0 CEAERO CC[NH2+]CCc1cn(C)c2cc(OC)c(OC)cc12 ZINC000098160234 185695030 /nfs/dbraw/zinc/69/50/30/185695030.db2.gz CUQVHRVVXIZFQC-UHFFFAOYSA-N 1 0 262.353 2.348 10 0 CEAERO CC[C@@]1(C)CN[C@](C)(C2CC2)C[N@@H+]1CCCOC ZINC000085514877 179086925 /nfs/dbraw/zinc/08/69/25/179086925.db2.gz XMUZVZDEOYGKMU-GJZGRUSLSA-N 1 0 254.418 2.266 10 0 CEAERO COCCC[N@@H+]1C[C@@](C)(C2CC2)NCC12CCCC2 ZINC000085515703 179087815 /nfs/dbraw/zinc/08/78/15/179087815.db2.gz XCFIJCKDVVIMIR-HNNXBMFYSA-N 1 0 266.429 2.410 10 0 CEAERO C[C@H]1C[NH2+][C@H](C2CC2)CN1CCc1cccs1 ZINC000085521319 179088111 /nfs/dbraw/zinc/08/81/11/179088111.db2.gz HJNIFLOILDAJNG-FZMZJTMJSA-N 1 0 250.411 2.363 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C2CC2)CN1C[C@@H]1CCCCO1 ZINC000085522629 179088503 /nfs/dbraw/zinc/08/85/03/179088503.db2.gz IGTXYZYCTIZQRB-KKUMJFAQSA-N 1 0 252.402 2.018 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@H](C2CC2)CN1CCn1ccnc1C ZINC000085523437 179088959 /nfs/dbraw/zinc/08/89/59/179088959.db2.gz XWTZZHQBEYXSOP-HZPDHXFCSA-N 1 0 276.428 2.044 10 0 CEAERO CC[C@@H](C)[C@@H]1CN[C@H](C2CC2)C[N@@H+]1CCCOC ZINC000085524870 179089139 /nfs/dbraw/zinc/08/91/39/179089139.db2.gz IWQYWSNRPZVIJM-SNPRPXQTSA-N 1 0 254.418 2.121 10 0 CEAERO CC(C)n1ccc(CN2C[C@H](C3CC3)[NH2+]CC2(C)C)n1 ZINC000085527949 179091048 /nfs/dbraw/zinc/09/10/48/179091048.db2.gz LDELVMIICPOZNZ-OAHLLOKOSA-N 1 0 276.428 2.426 10 0 CEAERO C[C@]1(C2CC2)CN[C@@H](C2CC2)C[N@@H+]1C[C@@H]1CCCCO1 ZINC000085529426 179091369 /nfs/dbraw/zinc/09/13/69/179091369.db2.gz ALCHWPLITKZYIX-GVDBMIGSSA-N 1 0 278.440 2.408 10 0 CEAERO C[C@@]1(C2CC2)CN[C@@H](C2CC2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085529409 179091657 /nfs/dbraw/zinc/09/16/57/179091657.db2.gz JOZXXFUVLDDFIX-XHSDSOJGSA-N 1 0 264.413 2.018 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](C2CCCCC2)CN1[C@@H]1CCOC1 ZINC000085529688 179091877 /nfs/dbraw/zinc/09/18/77/179091877.db2.gz NEYBGSFNXFRBHZ-BPLDGKMQSA-N 1 0 252.402 2.018 10 0 CEAERO COCCC[N@@H+]1C[C@](C)(c2ccccc2)NC[C@@H]1C ZINC000085531595 179092025 /nfs/dbraw/zinc/09/20/25/179092025.db2.gz BNWAEZSXIOHSOJ-GOEBONIOSA-N 1 0 262.397 2.232 10 0 CEAERO FC(F)(F)CCCCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000128965672 365813771 /nfs/dbraw/zinc/81/37/71/365813771.db2.gz QRGZXTWJWPFKTJ-NSHDSACASA-N 1 0 250.308 2.499 10 0 CEAERO CCc1nc2c(n1CCc1ccccc1F)CC[NH2+]C2 ZINC000085568567 179095677 /nfs/dbraw/zinc/09/56/77/179095677.db2.gz LMUNLSLYGHOIDG-UHFFFAOYSA-N 1 0 273.355 2.473 10 0 CEAERO COc1ccc(-n2c(C)nc3c2CC[NH2+]C3)c(C)c1 ZINC000085571063 179096604 /nfs/dbraw/zinc/09/66/04/179096604.db2.gz QQOFDTCQSFDCRP-UHFFFAOYSA-N 1 0 257.337 2.143 10 0 CEAERO CC(C)c1nc2c(n1[C@@H](C)[C@H]1CCCO1)CC[NH2+]C2 ZINC000085570158 179096653 /nfs/dbraw/zinc/09/66/53/179096653.db2.gz JGDGUDMWZFIFET-SMDDNHRTSA-N 1 0 263.385 2.392 10 0 CEAERO CC(C)c1nc2c(n1CC[C@@H]1CCCO1)CC[NH2+]C2 ZINC000085573405 179098074 /nfs/dbraw/zinc/09/80/74/179098074.db2.gz TUQTWHQNAROPDJ-LBPRGKRZSA-N 1 0 263.385 2.221 10 0 CEAERO CCCCOCCn1c2c(nc1C1CC1)C[NH2+]CC2 ZINC000085573849 179099243 /nfs/dbraw/zinc/09/92/43/179099243.db2.gz QAOGQIOBGQUCOJ-UHFFFAOYSA-N 1 0 263.385 2.223 10 0 CEAERO COCC[C@H](C)n1c2c(nc1C(C)C)C[NH2+]CC2 ZINC000085575268 179099479 /nfs/dbraw/zinc/09/94/79/179099479.db2.gz AQLLFZREKJEHCX-NSHDSACASA-N 1 0 251.374 2.250 10 0 CEAERO CC(C)Cc1nc2c(n1[C@@H](C)Cn1ccnc1)CC[NH2+]C2 ZINC000085573543 179099647 /nfs/dbraw/zinc/09/96/47/179099647.db2.gz BRCWIOAXYVOSIR-ZDUSSCGKSA-N 1 0 287.411 2.185 10 0 CEAERO CC(C)[C@@H]1CN(Cc2ccn(C(C)C)n2)CCC[NH2+]1 ZINC000085608441 179101193 /nfs/dbraw/zinc/10/11/93/179101193.db2.gz LTMHSVWTFVDNLN-HNNXBMFYSA-N 1 0 264.417 2.284 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(Cc2cccc(OC)n2)CCC[NH2+]1 ZINC000085609358 179101507 /nfs/dbraw/zinc/10/15/07/179101507.db2.gz WPEIKAYQYVQRDP-HIFRSBDPSA-N 1 0 277.412 2.300 10 0 CEAERO C[C@H]1CN(Cc2ccc3ncccc3c2)CCC[NH2+]1 ZINC000085610218 179101596 /nfs/dbraw/zinc/10/15/96/179101596.db2.gz FCDKAXFZUUOHJJ-ZDUSSCGKSA-N 1 0 255.365 2.419 10 0 CEAERO COc1ccc(CN2CCC[NH2+][C@@H](C)C2)cc1F ZINC000085610287 179101776 /nfs/dbraw/zinc/10/17/76/179101776.db2.gz OJNQQZZXPSWPEY-NSHDSACASA-N 1 0 252.333 2.018 10 0 CEAERO CC(C)(C)[C@@H]1C[N@H+](CC2CCOCC2)CCCN1 ZINC000085614022 179102714 /nfs/dbraw/zinc/10/27/14/179102714.db2.gz GUGJYVRVSQRZMC-AWEZNQCLSA-N 1 0 254.418 2.123 10 0 CEAERO CC1(C)CN(C[C@@H]2OCCc3ccccc32)CCC[NH2+]1 ZINC000085611640 179103437 /nfs/dbraw/zinc/10/34/37/179103437.db2.gz CLKPGJHJRFRPRX-INIZCTEOSA-N 1 0 274.408 2.374 10 0 CEAERO CC[C@H]1CN(Cc2ncc(C)c(OC)c2C)CCC[NH2+]1 ZINC000085614177 179103500 /nfs/dbraw/zinc/10/35/00/179103500.db2.gz PTSJPGIQRLWODL-AWEZNQCLSA-N 1 0 277.412 2.281 10 0 CEAERO C[C@@H]1CC[NH2+]C2(CCCCC2)CN1Cc1ncccn1 ZINC000085620923 179105829 /nfs/dbraw/zinc/10/58/29/179105829.db2.gz FDCNZRNNPWFPSC-CQSZACIVSA-N 1 0 274.412 2.363 10 0 CEAERO COc1ccc(CN2C[C@@H](C)[NH2+]CC[C@@H]2C)cc1F ZINC000085620702 179106181 /nfs/dbraw/zinc/10/61/81/179106181.db2.gz XKRWAIDOSAPOIQ-NEPJUHHUSA-N 1 0 266.360 2.407 10 0 CEAERO COc1cc(C[NH2+][C@H]2[C@H]3CCCO[C@@H]3C2(C)C)ccn1 ZINC000085676506 179112551 /nfs/dbraw/zinc/11/25/51/179112551.db2.gz TZJDNRPHOVTYHQ-SNPRPXQTSA-N 1 0 276.380 2.383 10 0 CEAERO COCC[NH2+][C@H](CO)c1ccc(Br)c(C)c1 ZINC000085708071 179123003 /nfs/dbraw/zinc/12/30/03/179123003.db2.gz SVSVMDTUKOONJF-GFCCVEGCSA-N 1 0 288.185 2.027 10 0 CEAERO CC[C@](C)([C@H](O)Cc1ccccc1)[NH+]1CCOCC1 ZINC000085749889 179142057 /nfs/dbraw/zinc/14/20/57/179142057.db2.gz UDRFTXDOZMXXQB-HZPDHXFCSA-N 1 0 263.381 2.091 10 0 CEAERO [NH3+]Cc1ccccc1NC(=O)c1ccc2[nH]cnc2c1 ZINC000085810325 179177697 /nfs/dbraw/zinc/17/76/97/179177697.db2.gz LRORCQJEWATUSV-UHFFFAOYSA-N 1 0 266.304 2.274 10 0 CEAERO CCCOc1ccc(Cl)cc1NC(=O)[C@@]1([NH3+])CCOC1 ZINC000085874478 179194371 /nfs/dbraw/zinc/19/43/71/179194371.db2.gz LPDKSFKEEQWWQE-CQSZACIVSA-N 1 0 298.770 2.185 10 0 CEAERO COc1nc2sccn2c1C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000085973277 179207277 /nfs/dbraw/zinc/20/72/77/179207277.db2.gz CJQGHEJOOHPFDM-ZYHUDNBSSA-N 1 0 295.408 2.045 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1CNS(=O)(=O)CC1CCCCC1 ZINC000085971824 179207413 /nfs/dbraw/zinc/20/74/13/179207413.db2.gz QEMWELVWDCDMCT-ZIAGYGMSSA-N 1 0 288.457 2.004 10 0 CEAERO CCC[NH2+][C@@H](CCO)CN(CC)CC(CC)CC ZINC000085922133 179200278 /nfs/dbraw/zinc/20/02/78/179200278.db2.gz QBHALGOHLCSBQB-HNNXBMFYSA-N 1 0 258.450 2.495 10 0 CEAERO CCC[C@@H]1CCCN(C[C@@H](CCO)[NH2+]CC)CC1 ZINC000085923186 179201027 /nfs/dbraw/zinc/20/10/27/179201027.db2.gz NKSWAILRCNNMMQ-HUUCEWRRSA-N 1 0 256.434 2.249 10 0 CEAERO CC[NH2+][C@@H](CCO)CN1CCC(CC)(CC)CC1 ZINC000085922928 179201471 /nfs/dbraw/zinc/20/14/71/179201471.db2.gz LXLUFQNKELWQCN-AWEZNQCLSA-N 1 0 256.434 2.249 10 0 CEAERO CCC[NH2+][C@@H](CCO)C[S@](=O)c1cc(C)ccc1C ZINC000085926588 179202389 /nfs/dbraw/zinc/20/23/89/179202389.db2.gz GHJSCKFMJOKAFB-IFXJQAMLSA-N 1 0 283.437 2.162 10 0 CEAERO CCC[NH2+][C@H](CCO)CSc1nc2ccccc2[nH]1 ZINC000085928540 179202903 /nfs/dbraw/zinc/20/29/03/179202903.db2.gz QAEUTELGUQZGMN-LLVKDONJSA-N 1 0 279.409 2.406 10 0 CEAERO CCCCCCOC[C@H](O)C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000085985412 179211317 /nfs/dbraw/zinc/21/13/17/179211317.db2.gz MPDKOWHXBWOAHS-XHSDSOJGSA-N 1 0 287.444 2.085 10 0 CEAERO CC[NH2+][C@H]1CC[C@H](S(=O)(=O)Cc2ccccc2)[C@@H]1C ZINC000086040855 179222429 /nfs/dbraw/zinc/22/24/29/179222429.db2.gz KWOVZYNBFVIQDX-SNPRPXQTSA-N 1 0 281.421 2.378 10 0 CEAERO C[NH2+][C@H]1CC[C@H](Sc2nnc3n2CCCCC3)[C@@H]1C ZINC000086044621 179222821 /nfs/dbraw/zinc/22/28/21/179222821.db2.gz OLOVQUOAROZPHE-WOPDTQHZSA-N 1 0 280.441 2.483 10 0 CEAERO CCC[NH2+][C@H]1CC[C@@H](Sc2nnc(C)n2C)[C@@H]1C ZINC000086045963 179222989 /nfs/dbraw/zinc/22/29/89/179222989.db2.gz HNYWJRZZUJNPNF-ADEWGFFLSA-N 1 0 268.430 2.382 10 0 CEAERO CC[NH2+][C@@H]1CC[C@@H](S(=O)(=O)CC2CCCC2)[C@@H]1C ZINC000086042131 179223228 /nfs/dbraw/zinc/22/32/28/179223228.db2.gz DPPOLFAMJRXWKK-MRVWCRGKSA-N 1 0 273.442 2.368 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)Nc1ccc(F)cc1Br ZINC000086065255 179223473 /nfs/dbraw/zinc/22/34/73/179223473.db2.gz ZXPHIOUSBIORJZ-ZETCQYMHSA-N 1 0 289.148 2.382 10 0 CEAERO CCOc1ccc(C)cc1[C@@H]([NH2+]C)[C@@H]1CCS(=O)(=O)C1 ZINC000086022538 179218725 /nfs/dbraw/zinc/21/87/25/179218725.db2.gz TWDZSXOJBPHXOX-DOMZBBRYSA-N 1 0 297.420 2.089 10 0 CEAERO CCc1ccc(CC)c([C@H]([NH3+])[C@@H]2CCS(=O)(=O)C2)c1 ZINC000086022885 179218838 /nfs/dbraw/zinc/21/88/38/179218838.db2.gz AKHPKCVPLBNPMQ-UKRRQHHQSA-N 1 0 281.421 2.246 10 0 CEAERO CC[NH2+][C@H](Cc1ccc(C)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000086026801 179220324 /nfs/dbraw/zinc/22/03/24/179220324.db2.gz UHIVIIMXGYXAAL-JKSUJKDBSA-N 1 0 295.448 2.259 10 0 CEAERO c1ccc(C[C@H]2C[N@H+](CC[C@@H]3CCCO3)CCN2)cc1 ZINC000086145618 179237748 /nfs/dbraw/zinc/23/77/48/179237748.db2.gz WWDDXDCKPNSZKB-IRXDYDNUSA-N 1 0 274.408 2.072 10 0 CEAERO Cc1nc(CN2CC[NH2+][C@H](Cc3ccccc3)C2)cs1 ZINC000086144264 179237953 /nfs/dbraw/zinc/23/79/53/179237953.db2.gz KODGMXPHRBPELC-OAHLLOKOSA-N 1 0 287.432 2.468 10 0 CEAERO CC[C@H]1CC[C@H]([NH2+]Cc2ccc(OCC(N)=O)cc2)[C@@H]1C ZINC000086083715 179228766 /nfs/dbraw/zinc/22/87/66/179228766.db2.gz SUTVYQVDGQVWGB-INWMFGNUSA-N 1 0 290.407 2.465 10 0 CEAERO CC[C@@H]1CC[C@H](NC(=O)[C@@H]([NH3+])CCSC)[C@@H]1C ZINC000086093975 179228890 /nfs/dbraw/zinc/22/88/90/179228890.db2.gz HGZGCNLDWDFNNR-WYUUTHIRSA-N 1 0 258.431 2.008 10 0 CEAERO CC[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(C[NH3+])cc2)[C@@H]1C ZINC000086091552 179229147 /nfs/dbraw/zinc/22/91/47/179229147.db2.gz LQSCYJZJRGZRDW-UXIGCNINSA-N 1 0 296.436 2.248 10 0 CEAERO CC[C@H]1CC[C@H](NC(=O)C[C@@H]2CCCC[NH2+]2)[C@@H]1C ZINC000086098753 179229429 /nfs/dbraw/zinc/22/94/29/179229429.db2.gz VGMJBLPHXRCGBI-RFGFWPKPSA-N 1 0 252.402 2.460 10 0 CEAERO CC[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])[C@@H]1C ZINC000086094548 179229598 /nfs/dbraw/zinc/22/95/98/179229598.db2.gz LQJQOVWAAHKJDE-XGFWRYKXSA-N 1 0 252.402 2.445 10 0 CEAERO CC[C@]1(C)CN(C[C@@H]2Cc3ccccc3O2)CC[NH2+]1 ZINC000086146968 179239944 /nfs/dbraw/zinc/23/99/44/179239944.db2.gz FYSLGQOIAPISSZ-GOEBONIOSA-N 1 0 260.381 2.064 10 0 CEAERO C[C@]1(C2CC2)CN([C@@H]2COc3ccccc32)CC[NH2+]1 ZINC000086150083 179240338 /nfs/dbraw/zinc/24/03/38/179240338.db2.gz FKPCEIMIFVRAGH-GDBMZVCRSA-N 1 0 258.365 2.194 10 0 CEAERO CSCCCN1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC000086149806 179240361 /nfs/dbraw/zinc/24/03/61/179240361.db2.gz HQZNDONUSGQANN-HNNXBMFYSA-N 1 0 264.438 2.256 10 0 CEAERO CCOCCCN1C[C@H](C)[NH2+]C[C@@H]1c1ccccc1 ZINC000086153012 179240378 /nfs/dbraw/zinc/24/03/78/179240378.db2.gz QKQIKFVTQQKFJT-GOEBONIOSA-N 1 0 262.397 2.448 10 0 CEAERO CC[C@H](C)[C@H]1C[N@H+]([C@@H](C)COC)[C@H](C(C)C)CN1 ZINC000086151863 179240480 /nfs/dbraw/zinc/24/04/80/179240480.db2.gz OOEQSOLEPZJZOA-XQLPTFJDSA-N 1 0 256.434 2.366 10 0 CEAERO COCC[C@@H](C)N1CC[NH2+][C@H](C2CCCCC2)C1 ZINC000086150663 179240518 /nfs/dbraw/zinc/24/05/18/179240518.db2.gz SSOJOQOPKCCUTE-HIFRSBDPSA-N 1 0 254.418 2.266 10 0 CEAERO C[C@H](c1nccs1)N1CC[NH2+][C@@](C)(C2CC2)C1 ZINC000086150545 179240965 /nfs/dbraw/zinc/24/09/65/179240965.db2.gz NUVCDOVLKVEOMH-ZWNOBZJWSA-N 1 0 251.399 2.278 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C(C)C)CN1[C@@H](C)[C@@H]1CCCO1 ZINC000086154098 179241535 /nfs/dbraw/zinc/24/15/35/179241535.db2.gz XECWMGBZIWPRDG-AJNGGQMLSA-N 1 0 254.418 2.262 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C)CN1CCc1nc(C)cs1 ZINC000086175390 179245425 /nfs/dbraw/zinc/24/54/25/179245425.db2.gz UDYFUCDYHQUEIQ-ZYHUDNBSSA-N 1 0 253.415 2.066 10 0 CEAERO CC[C@H](C)[C@H]1CN(Cc2nc(C)no2)[C@H](C(C)C)C[NH2+]1 ZINC000086174050 179245644 /nfs/dbraw/zinc/24/56/44/179245644.db2.gz LSJQHGLGWGPFTK-YUTCNCBUSA-N 1 0 280.416 2.223 10 0 CEAERO CC[C@H](COC)[N@@H+]1C[C@H](C(C)C)NC[C@@H]1C(C)C ZINC000086176413 179246266 /nfs/dbraw/zinc/24/62/66/179246266.db2.gz SFZSZUQBYSOZEN-RBSFLKMASA-N 1 0 256.434 2.366 10 0 CEAERO CC(C)[C@@H]1C[NH2+]CCN1[C@@H]1CCOc2ccccc21 ZINC000086177693 179246277 /nfs/dbraw/zinc/24/62/77/179246277.db2.gz LSIVZLBJGJGUOZ-CABCVRRESA-N 1 0 260.381 2.440 10 0 CEAERO COc1cc(CN2CC[NH2+][C@H](c3ccccc3)C2)ccn1 ZINC000086148570 179239745 /nfs/dbraw/zinc/23/97/45/179239745.db2.gz LBDWCODMCLHEJK-INIZCTEOSA-N 1 0 283.375 2.237 10 0 CEAERO COc1ccc(CN2CC[NH2+][C@H](c3ccccc3)C2)cn1 ZINC000086148622 179239871 /nfs/dbraw/zinc/23/98/71/179239871.db2.gz SDFLUIHMOFVWMQ-INIZCTEOSA-N 1 0 283.375 2.237 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](C2CCCCC2)CN1c1cnn(C)c1 ZINC000086218314 179249643 /nfs/dbraw/zinc/24/96/43/179249643.db2.gz XPTKQUCYUOMDPN-IUODEOHRSA-N 1 0 262.401 2.167 10 0 CEAERO C[C@H]1C[NH2+][C@@](C)(c2ccccc2)CN1c1cnn(C)c1 ZINC000086218347 179249824 /nfs/dbraw/zinc/24/98/24/179249824.db2.gz UJQNATZDBLNZIW-XJKSGUPXSA-N 1 0 270.380 2.134 10 0 CEAERO C[C@@H]1C[NH2+]C2(CCCC2)CN1CCc1ccccn1 ZINC000086221480 179250386 /nfs/dbraw/zinc/25/03/86/179250386.db2.gz LEEVDSDKKPFESC-CQSZACIVSA-N 1 0 259.397 2.231 10 0 CEAERO CC(C)[C@@H]1CN[C@](C)(C2CC2)C[N@@H+]1C1CCOCC1 ZINC000086218768 179250419 /nfs/dbraw/zinc/25/04/19/179250419.db2.gz MCRDTYRNSWCIIH-HOTGVXAUSA-N 1 0 266.429 2.264 10 0 CEAERO CC[C@@]1(C)C[N@H+](C2CCOCC2)[C@H](C(C)C)CN1 ZINC000086218771 179250465 /nfs/dbraw/zinc/25/04/65/179250465.db2.gz BQCLGNICDNIZAS-GJZGRUSLSA-N 1 0 254.418 2.264 10 0 CEAERO CC[C@@H]1C[NH2+][C@@](C)(CC)CN1Cc1nccs1 ZINC000086226854 179252988 /nfs/dbraw/zinc/25/29/88/179252988.db2.gz DTKJKWWSNIUAPS-YPMHNXCESA-N 1 0 253.415 2.496 10 0 CEAERO Cc1oncc1C[NH+]1CCC(Cn2cccn2)CC1 ZINC000128549731 187377041 /nfs/dbraw/zinc/37/70/41/187377041.db2.gz SSINRUJFJPKZQQ-UHFFFAOYSA-N 1 0 260.341 2.092 10 0 CEAERO Cc1nc(CN2C[C@](C)(C3CC3)[NH2+]C[C@@H]2C)cs1 ZINC000086226933 179253181 /nfs/dbraw/zinc/25/31/81/179253181.db2.gz DGCKCKCSKIZBJQ-IINYFYTJSA-N 1 0 265.426 2.414 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1c1cnn(CCOC)c1 ZINC000086227218 179254386 /nfs/dbraw/zinc/25/43/86/179254386.db2.gz PUKVKIHWKOYUJA-HIFRSBDPSA-N 1 0 294.443 2.132 10 0 CEAERO [NH3+][C@@H]1CCO[C@H]1c1ccc(F)c(Br)c1 ZINC000086249127 179254826 /nfs/dbraw/zinc/25/48/26/179254826.db2.gz KWSOPTRAZDPULB-ZJUUUORDSA-N 1 0 260.106 2.377 10 0 CEAERO CC[C@@H]1C[NH2+]C2(CCCCC2)CN1Cc1nc(C)no1 ZINC000086260307 179258968 /nfs/dbraw/zinc/25/89/68/179258968.db2.gz VKFFMNLTYRVPKS-CYBMUJFWSA-N 1 0 278.400 2.265 10 0 CEAERO CC[C@H]1C[NH2+][C@H](CC(C)C)CN1Cc1ccnc(C)n1 ZINC000086260248 179259200 /nfs/dbraw/zinc/25/92/00/179259200.db2.gz PWOPKJSJMONJFS-CVEARBPZSA-N 1 0 276.428 2.384 10 0 CEAERO C[C@H]1CN[C@H](c2ccccc2)C[N@@H+]1C[C@@H]1CCCOC1 ZINC000086260072 179259245 /nfs/dbraw/zinc/25/92/45/179259245.db2.gz RZMCDUYBWXLFIO-ZOBUZTSGSA-N 1 0 274.408 2.448 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C(C)(C)C)CN1Cc1ccnc(C)n1 ZINC000086260198 179259413 /nfs/dbraw/zinc/25/94/13/179259413.db2.gz HVCDAOVDZMMBGB-GJZGRUSLSA-N 1 0 276.428 2.384 10 0 CEAERO CCOC[C@H](C)[N@@H+]1C[C@H](c2ccccc2)NC[C@@H]1C ZINC000086259682 179259502 /nfs/dbraw/zinc/25/95/02/179259502.db2.gz MJDKQMAHXIRHNO-OFQRWUPVSA-N 1 0 262.397 2.446 10 0 CEAERO Cc1cnc(CN2C[C@@](C)(C3CC3)[NH2+]C[C@@H]2C(C)C)cn1 ZINC000086263057 179260618 /nfs/dbraw/zinc/26/06/18/179260618.db2.gz YLKFHCRQNNTVIE-SJORKVTESA-N 1 0 288.439 2.384 10 0 CEAERO C[C@H]1C[NH2+][C@@](C)(C2CC2)CN1CCOC1CCCC1 ZINC000086265652 179261748 /nfs/dbraw/zinc/26/17/48/179261748.db2.gz SZOABFOMOYAENC-XJKSGUPXSA-N 1 0 266.429 2.408 10 0 CEAERO C[C@@]1(C2CC2)C[N@H+](CC[C@@H]2CCCO2)CCCN1 ZINC000086291395 179265515 /nfs/dbraw/zinc/26/55/15/179265515.db2.gz UMVPOUDLGHJTMZ-GJZGRUSLSA-N 1 0 252.402 2.020 10 0 CEAERO COc1ccc(OC)c(N2CCC[NH2+]C(C)(C)C2)c1 ZINC000086269537 179262082 /nfs/dbraw/zinc/26/20/82/179262082.db2.gz JGBMHQVQACOOBD-UHFFFAOYSA-N 1 0 264.369 2.282 10 0 CEAERO CC[C@@H]1CN(CCc2ccc3c(c2)OCCO3)CCC[NH2+]1 ZINC000086269672 179262313 /nfs/dbraw/zinc/26/23/13/179262313.db2.gz MFFDPGGKXWBQEK-OAHLLOKOSA-N 1 0 290.407 2.074 10 0 CEAERO COc1cc(OC)cc(N2CCC[NH2+]C(C)(C)C2)c1 ZINC000086269461 179262438 /nfs/dbraw/zinc/26/24/38/179262438.db2.gz MVOWCAPNXDGCNR-UHFFFAOYSA-N 1 0 264.369 2.282 10 0 CEAERO Fc1ccccc1CCN1CCC[NH2+][C@@H](C2CC2)C1 ZINC000086285760 179263655 /nfs/dbraw/zinc/26/36/55/179263655.db2.gz YNGPCYAOVWKLAU-MRXNPFEDSA-N 1 0 262.372 2.442 10 0 CEAERO Cc1csc(CN2CCC[NH2+][C@](C)(C3CC3)C2)n1 ZINC000086290056 179264479 /nfs/dbraw/zinc/26/44/79/179264479.db2.gz ULTXKWHRZIVXKA-AWEZNQCLSA-N 1 0 265.426 2.416 10 0 CEAERO CC(C)(C)[C@@H]1CN(Cc2nccs2)CCC[NH2+]1 ZINC000086289981 179264637 /nfs/dbraw/zinc/26/46/37/179264637.db2.gz OIBCOPJGPNFBSX-NSHDSACASA-N 1 0 253.415 2.353 10 0 CEAERO Cc1ncc(CN2CCC[NH2+][C@@](C)(C3CC3)C2)s1 ZINC000086289954 179264845 /nfs/dbraw/zinc/26/48/45/179264845.db2.gz CGWPBZNEWJGMPY-CQSZACIVSA-N 1 0 265.426 2.416 10 0 CEAERO Cc1cccc(OCCN2C[C@H](C3CC3)[NH2+]C[C@@H]2C)c1 ZINC000086257973 179256618 /nfs/dbraw/zinc/25/66/18/179256618.db2.gz YTWMAAXREDZJBT-WMLDXEAASA-N 1 0 274.408 2.446 10 0 CEAERO CC(C)[C@@H]1CN[C@@H](C2CC2)C[N@@H+]1CC[C@@H]1CCCO1 ZINC000086258814 179257155 /nfs/dbraw/zinc/25/71/55/179257155.db2.gz IUCUOGTZAILJBH-XHSDSOJGSA-N 1 0 266.429 2.264 10 0 CEAERO CC[C@H]1CN[C@H](C2CC2)C[N@@H+]1CC[C@@H]1CCCO1 ZINC000086258837 179257358 /nfs/dbraw/zinc/25/73/58/179257358.db2.gz IVMCWBGVQGNIPB-KKUMJFAQSA-N 1 0 252.402 2.018 10 0 CEAERO CC[C@@H]1CN[C@@](C)(C2CC2)C[N@@H+]1CCCCOC ZINC000086259401 179257555 /nfs/dbraw/zinc/25/75/55/179257555.db2.gz ZMYRMBGIMPUZMM-HUUCEWRRSA-N 1 0 254.418 2.266 10 0 CEAERO [NH3+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccc2ccccc2n1 ZINC000086317434 179270224 /nfs/dbraw/zinc/27/02/24/179270224.db2.gz YWVVSAWSEIZGHV-CXAGYDPISA-N 1 0 281.359 2.388 10 0 CEAERO Brc1csc(O[C@H]2CCC[NH2+]C2)n1 ZINC000086291682 179266471 /nfs/dbraw/zinc/26/64/71/179266471.db2.gz PXUXKJRIRDEUMW-LURJTMIESA-N 1 0 263.160 2.036 10 0 CEAERO CC(C)C[C@@H]1C[N@H+](C[C@@H]2CCCOC2)CCCN1 ZINC000086292452 179266735 /nfs/dbraw/zinc/26/67/35/179266735.db2.gz JMWWTPVBOZMBPJ-LSDHHAIUSA-N 1 0 254.418 2.123 10 0 CEAERO COc1cc(CN2CCC[NH2+]C3(CCCC3)C2)ccn1 ZINC000086296349 179267937 /nfs/dbraw/zinc/26/79/37/179267937.db2.gz PKDINDNXUQPLQU-UHFFFAOYSA-N 1 0 275.396 2.198 10 0 CEAERO C[C@]1(c2ccccc2)C[N@@H+]([C@@H]2CCCOC2)CCCN1 ZINC000086297626 179268393 /nfs/dbraw/zinc/26/83/93/179268393.db2.gz RSQWTOSIARUUGW-IAGOWNOFSA-N 1 0 274.408 2.376 10 0 CEAERO CCC[C@H]1CN(CCc2cscn2)CCC[NH2+]1 ZINC000086297909 179269268 /nfs/dbraw/zinc/26/92/68/179269268.db2.gz DVZWDUXXMLARDR-LBPRGKRZSA-N 1 0 253.415 2.150 10 0 CEAERO [NH3+]CC[C@H]1CN(C(=O)c2ccncc2F)c2ccccc21 ZINC000086316772 179269724 /nfs/dbraw/zinc/26/97/24/179269724.db2.gz YHXCQUVIOJXKSZ-NSHDSACASA-N 1 0 285.322 2.314 10 0 CEAERO C[NH2+][C@H]1CCCc2sc(N(CCOC)C3CC3)nc21 ZINC000086443596 179293910 /nfs/dbraw/zinc/29/39/10/179293910.db2.gz KUBBFOJEWDVDFZ-NSHDSACASA-N 1 0 281.425 2.355 10 0 CEAERO CC[C@H](C)[NH+]1CCN(c2nc3c(s2)CCC[C@H]3O)CC1 ZINC000086444735 179294675 /nfs/dbraw/zinc/29/46/75/179294675.db2.gz YFYAWCMAUXJODR-NWDGAFQWSA-N 1 0 295.452 2.433 10 0 CEAERO CC(C)C[NH+]1CCN(c2nc3c(s2)CCC[C@@H]3O)CC1 ZINC000086444736 179294951 /nfs/dbraw/zinc/29/49/51/179294951.db2.gz QVYDYEKDULZAQZ-LBPRGKRZSA-N 1 0 295.452 2.291 10 0 CEAERO CN(CC1CCOCC1)c1nc2c(s1)CCC[C@H]2[NH3+] ZINC000086444215 179295069 /nfs/dbraw/zinc/29/50/69/179295069.db2.gz UNTMRZROTWICNB-LLVKDONJSA-N 1 0 281.425 2.342 10 0 CEAERO CC[C@@H]1CN(C(=O)c2cccc(OC)c2)[C@@H](CC)C[NH2+]1 ZINC000086447284 179295345 /nfs/dbraw/zinc/29/53/45/179295345.db2.gz IJIQFDGLZUODKP-KGLIPLIRSA-N 1 0 276.380 2.298 10 0 CEAERO CC[C@@H]1CN(C(=O)Cc2ccc(OC)cc2)[C@@H](CC)C[NH2+]1 ZINC000086447178 179295466 /nfs/dbraw/zinc/29/54/66/179295466.db2.gz RCQXXKDZAZUMGE-CABCVRRESA-N 1 0 290.407 2.227 10 0 CEAERO CC[NH2+][C@H]1CCCc2sc(N3CCCOCC3)nc21 ZINC000086444008 179293351 /nfs/dbraw/zinc/29/33/51/179293351.db2.gz ONMFIXJUNRLVAF-NSHDSACASA-N 1 0 281.425 2.357 10 0 CEAERO C[C@](O)(C[NH3+])Cc1nc2ccc(Cl)cc2s1 ZINC000086480011 179300424 /nfs/dbraw/zinc/30/04/24/179300424.db2.gz JFYCBHKIYSOPCD-LLVKDONJSA-N 1 0 256.758 2.202 10 0 CEAERO C[C@]1(c2nc([C@H]3Cc4ccccc43)no2)CCC[NH2+]C1 ZINC000086486396 179302016 /nfs/dbraw/zinc/30/20/16/179302016.db2.gz BQIVJKJRBOGXDO-BBRMVZONSA-N 1 0 269.348 2.399 10 0 CEAERO Cn1nc(C[NH2+]C[C@H]2CCCC[C@H]2O)c2ccccc21 ZINC000086485859 179302086 /nfs/dbraw/zinc/30/20/86/179302086.db2.gz KDRWCCQDFBKCRX-MLGOLLRUSA-N 1 0 273.380 2.214 10 0 CEAERO CC[C@H]([NH3+])Cc1ccnc([C@H]2Cc3ccccc32)n1 ZINC000086490803 179302543 /nfs/dbraw/zinc/30/25/43/179302543.db2.gz YFRIWRLTTAGUNH-WFASDCNBSA-N 1 0 253.349 2.444 10 0 CEAERO CC[C@@](C)(CO)[NH2+]Cc1cc2c(cc1SC)OCCO2 ZINC000086506909 179302798 /nfs/dbraw/zinc/30/27/98/179302798.db2.gz DQSZELKQTCTGNW-HNNXBMFYSA-N 1 0 297.420 2.430 10 0 CEAERO COC(=O)CC[NH2+]Cc1cc(OC)c(OC)cc1SC ZINC000086506226 179303241 /nfs/dbraw/zinc/30/32/41/179303241.db2.gz HPKGGCQMVVSMOJ-UHFFFAOYSA-N 1 0 299.392 2.078 10 0 CEAERO CC[C@H]1CN(Cc2cccc(C(=O)OC)c2)[C@@H](CC)C[NH2+]1 ZINC000086464697 179297246 /nfs/dbraw/zinc/29/72/46/179297246.db2.gz TWVCRWCFOLXVPG-HOTGVXAUSA-N 1 0 290.407 2.436 10 0 CEAERO Cc1cccc(NC(=O)CCCN2C[C@@H](C)[NH2+]C[C@@H]2C)c1 ZINC000086469625 179299723 /nfs/dbraw/zinc/29/97/23/179299723.db2.gz CRPHOPZMLKSXGY-CABCVRRESA-N 1 0 289.423 2.396 10 0 CEAERO CC(C)(C)[NH2+]CC1(S(C)(=O)=O)CC2(CCC2)C1 ZINC000086544543 179307051 /nfs/dbraw/zinc/30/70/51/179307051.db2.gz IJKMOIOEIIFEFG-UHFFFAOYSA-N 1 0 259.415 2.122 10 0 CEAERO C[NH+](C)C[C@@H](O)c1cscc1Br ZINC000086554670 179307085 /nfs/dbraw/zinc/30/70/85/179307085.db2.gz CCSZHHLPGKPISN-MRVPVSSYSA-N 1 0 250.161 2.106 10 0 CEAERO CCC[C@@](C)([NH3+])[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000086566764 179307619 /nfs/dbraw/zinc/30/76/19/179307619.db2.gz LXAIGNBREDYYHD-DGCLKSJQSA-N 1 0 253.367 2.075 10 0 CEAERO CC(C)[NH2+]CC1(S(C)(=O)=O)CC(C(C)(C)C)C1 ZINC000086560041 179308062 /nfs/dbraw/zinc/30/80/62/179308062.db2.gz NXWQPRLDVBSRRY-UHFFFAOYSA-N 1 0 261.431 2.224 10 0 CEAERO CO[C@H](C)[C@@H]([NH3+])Cc1cc(Br)cs1 ZINC000086576171 179308783 /nfs/dbraw/zinc/30/87/83/179308783.db2.gz LHFMQGVENGQUEE-MUWHJKNJSA-N 1 0 264.188 2.415 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)N[C@@H]3CCc4ccccc43)C[C@H]12 ZINC000333868010 539581836 /nfs/dbraw/zinc/58/18/36/539581836.db2.gz BDYSJEXYEFCKRD-SLBVQIDZSA-N 1 0 285.391 2.053 10 0 CEAERO O=C(N[C@@H]1CCc2ccccc21)N[C@@H]1CCCC[NH2+]C1 ZINC000333902378 539582023 /nfs/dbraw/zinc/58/20/23/539582023.db2.gz IYUMCXCFNZFJES-UKRRQHHQSA-N 1 0 273.380 2.115 10 0 CEAERO CCN1CC[C@@H]([NH3+])[C@@H]1c1ccc(OC)c(Cl)c1 ZINC000086585193 179310246 /nfs/dbraw/zinc/31/02/46/179310246.db2.gz VKWFYZGNJBHECR-YPMHNXCESA-N 1 0 254.761 2.443 10 0 CEAERO CCn1c2ccc(C[NH3+])cc2nc1-c1cnc(C)cn1 ZINC000086641900 179315248 /nfs/dbraw/zinc/31/52/48/179315248.db2.gz GVIBFXSKXVNNGH-UHFFFAOYSA-N 1 0 267.336 2.280 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H](c2ccc3c(c2)OCCCO3)OC1 ZINC000086633813 179315352 /nfs/dbraw/zinc/31/53/52/179315352.db2.gz CQEYFQXNXMJFAZ-NHYWBVRUSA-N 1 0 263.337 2.145 10 0 CEAERO [NH3+][C@@H](Cc1cc(F)cc(Br)c1)[C@H]1CCOC1 ZINC000086696347 179320601 /nfs/dbraw/zinc/32/06/01/179320601.db2.gz DPCCEXIGQHSXOG-CABZTGNLSA-N 1 0 288.160 2.495 10 0 CEAERO C[NH2+][C@@H](COC)Cc1cc(F)cc(Br)c1 ZINC000086696175 179320732 /nfs/dbraw/zinc/32/07/32/179320732.db2.gz NFNBQWJFSCPQHR-LLVKDONJSA-N 1 0 276.149 2.365 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1S(C)(=O)=O)c1ccccc1 ZINC000086669410 179317004 /nfs/dbraw/zinc/31/70/04/179317004.db2.gz PPQMQVSLLNWMKZ-YUTCNCBUSA-N 1 0 267.394 2.303 10 0 CEAERO C[C@@H]([NH2+][C@H]1CCC[C@@H]1S(C)(=O)=O)c1ccc(F)cc1 ZINC000086670915 179317606 /nfs/dbraw/zinc/31/76/06/179317606.db2.gz MQYDORZNCBTQMT-SWHYSGLUSA-N 1 0 285.384 2.442 10 0 CEAERO C[NH+](C)Cc1cccc(N[C@@H]2CCC[C@@H]2S(C)(=O)=O)c1 ZINC000086672977 179317630 /nfs/dbraw/zinc/31/76/30/179317630.db2.gz IEGGZBQDNGDGIB-CABCVRRESA-N 1 0 296.436 2.126 10 0 CEAERO COc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]1S(C)(=O)=O ZINC000086670955 179317796 /nfs/dbraw/zinc/31/77/96/179317796.db2.gz XGDJQPLWVUYWDO-LNSITVRQSA-N 1 0 297.420 2.312 10 0 CEAERO CS(=O)(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCc2occc21 ZINC000086672017 179318116 /nfs/dbraw/zinc/31/81/16/179318116.db2.gz NDSXQCQLAUOMKN-MBNYWOFBSA-N 1 0 283.393 2.212 10 0 CEAERO CCN(C)C(=O)CC[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000130269223 365939223 /nfs/dbraw/zinc/93/92/23/365939223.db2.gz SARAEPAMZNMBMW-ZDUSSCGKSA-N 1 0 295.452 2.499 10 0 CEAERO CC1CCC(C[NH2+][C@H]2CCC[C@H]2S(C)(=O)=O)CC1 ZINC000086676037 179319603 /nfs/dbraw/zinc/31/96/03/179319603.db2.gz PKDFQGPHXFXTCH-CLRIEMFWSA-N 1 0 273.442 2.368 10 0 CEAERO CCCC1CCC(C[NH3+])(OCCN2CCOCC2)CC1 ZINC000086713427 179322727 /nfs/dbraw/zinc/32/27/27/179322727.db2.gz ICWHBWCNKZPZIA-UHFFFAOYSA-N 1 0 284.444 2.023 10 0 CEAERO CCC1CCC(C[NH3+])(O[C@H](C)C(=O)N2CCCC2)CC1 ZINC000086713269 179322738 /nfs/dbraw/zinc/32/27/38/179322738.db2.gz IMBRECXVTWYRKF-VQCLRJIVSA-N 1 0 282.428 2.312 10 0 CEAERO CCC1CCC(C[NH3+])(OC[C@H](O)COC(C)C)CC1 ZINC000086713220 179322978 /nfs/dbraw/zinc/32/29/78/179322978.db2.gz CCBCWJNDXJEOHM-SHARSMKWSA-N 1 0 273.417 2.087 10 0 CEAERO CCC[NH+]1CCC([NH+]2CCC(CCC(=O)[O-])CC2)CC1 ZINC000086755822 179323592 /nfs/dbraw/zinc/32/35/92/179323592.db2.gz LPJPBAFGAGBQFO-UHFFFAOYSA-N 1 0 282.428 2.438 10 0 CEAERO C[N@@H+]1CCC[C@H](Nc2ccc(C(N)=O)c(Cl)c2)CC1 ZINC000086818365 179347348 /nfs/dbraw/zinc/34/73/48/179347348.db2.gz RBKJHTLASGZUMQ-JTQLQIEISA-N 1 0 281.787 2.335 10 0 CEAERO C[N@@H+]1CCC[C@](O)(Cc2cc(F)ccc2F)CC1 ZINC000086833989 179349252 /nfs/dbraw/zinc/34/92/52/179349252.db2.gz DXLNXEKXZNQSJI-CQSZACIVSA-N 1 0 255.308 2.354 10 0 CEAERO CC[N@@H+]1CCC[C@H](Nc2ccc(C(N)=O)cc2)CC1 ZINC000086835249 179350446 /nfs/dbraw/zinc/35/04/46/179350446.db2.gz WASFAOOBZKJFCL-ZDUSSCGKSA-N 1 0 261.369 2.072 10 0 CEAERO CCC[N@@H+]1CCC[C@]([NH2+]C2CCCC2)(C(=O)[O-])CC1 ZINC000086850363 179357867 /nfs/dbraw/zinc/35/78/67/179357867.db2.gz BKHZTTGZAMQYJF-OAHLLOKOSA-N 1 0 268.401 2.238 10 0 CEAERO CC(C)[N@@H+]1CCC[C@H](Nc2ccccc2CC(N)=O)CC1 ZINC000086839835 179352164 /nfs/dbraw/zinc/35/21/64/179352164.db2.gz QCQZFMANKLXPPL-HNNXBMFYSA-N 1 0 289.423 2.389 10 0 CEAERO COC(=O)[C@@H](CC(C)C)N[C@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086838332 179352190 /nfs/dbraw/zinc/35/21/90/179352190.db2.gz RBINWAIGCDNPEH-LSDHHAIUSA-N 1 0 284.444 2.427 10 0 CEAERO CCC[N@@H+]1CCC[C@@](O)(Cc2cnn(CC)c2)CC1 ZINC000086852783 179359550 /nfs/dbraw/zinc/35/95/50/179359550.db2.gz ZBKQOYKNWXREPW-HNNXBMFYSA-N 1 0 265.401 2.073 10 0 CEAERO CC[N@@H+]1CCC[C@@](CO)(Nc2cccc(F)c2)CC1 ZINC000086868155 179360543 /nfs/dbraw/zinc/36/05/43/179360543.db2.gz JXUGIUCDBBNLAH-OAHLLOKOSA-N 1 0 266.360 2.475 10 0 CEAERO CC(C)[N@H+](CC(=O)[O-])[C@H]1CCC[NH+](C(C)C)CC1 ZINC000086868758 179361260 /nfs/dbraw/zinc/36/12/60/179361260.db2.gz YPMJTACTIYPKCL-ZDUSSCGKSA-N 1 0 256.390 2.044 10 0 CEAERO CC[N@H+]([C@H]1CCC[NH+](CC)CC1)C(C)(C)C(=O)[O-] ZINC000086868917 179362549 /nfs/dbraw/zinc/36/25/49/179362549.db2.gz PYDTVVHSUVVUKU-LBPRGKRZSA-N 1 0 256.390 2.046 10 0 CEAERO CC(C)(C)[C@@H]([NH3+])Cc1nc(CC(F)(F)F)no1 ZINC000104066018 185891262 /nfs/dbraw/zinc/89/12/62/185891262.db2.gz OXCTYWOXMNSFRV-LURJTMIESA-N 1 0 251.252 2.090 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH2+]C)c1cc(F)cc(F)c1 ZINC000086979094 179372754 /nfs/dbraw/zinc/37/27/54/179372754.db2.gz LTYLJRRIPHLCEL-ZDUSSCGKSA-N 1 0 291.363 2.440 10 0 CEAERO CCN(CC)CC[NH2+][C@@]1(CO)CCC[C@H](C)CC1 ZINC000086892960 179366069 /nfs/dbraw/zinc/36/60/69/179366069.db2.gz NKFOTTROGOCXQP-GJZGRUSLSA-N 1 0 256.434 2.249 10 0 CEAERO CC[NH+](CC)CCN[C@]1(C(=O)OC)CCC[C@H](C)CC1 ZINC000086891863 179366292 /nfs/dbraw/zinc/36/62/92/179366292.db2.gz CBRFWSRLIYWJQT-GOEBONIOSA-N 1 0 284.444 2.430 10 0 CEAERO COC1CC[NH+]([C@@]2(CN)CCC[C@H](C)CC2)CC1 ZINC000086890609 179366536 /nfs/dbraw/zinc/36/65/36/179366536.db2.gz RQBUOBZCUDSSAA-ZFWWWQNUSA-N 1 0 254.418 2.395 10 0 CEAERO CC[C@@H]1CCC[C@@](C[NH3+])(N2CCn3ccnc3C2)CC1 ZINC000086913301 179367136 /nfs/dbraw/zinc/36/71/36/179367136.db2.gz BQSFFYQTZQLDTC-GDBMZVCRSA-N 1 0 276.428 2.387 10 0 CEAERO CCC[C@H]1CCC[C@@](C(=O)[O-])([N@@H+]2CCC[NH2+]CC2)CC1 ZINC000086949796 179368400 /nfs/dbraw/zinc/36/84/00/179368400.db2.gz QKIAOFNKCWZOGL-GOEBONIOSA-N 1 0 282.428 2.486 10 0 CEAERO CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CN(C)CCN2C)CC1 ZINC000086947106 179368457 /nfs/dbraw/zinc/36/84/57/179368457.db2.gz FERHWOFKGDCUPL-IXDOHACOSA-N 1 0 281.488 2.427 10 0 CEAERO CC(C)[C@@H]1CCC[C@@](CO)([NH2+]CCN(C)C)CC1 ZINC000086952250 179368992 /nfs/dbraw/zinc/36/89/92/179368992.db2.gz HIEUQSXFQXBRCO-HUUCEWRRSA-N 1 0 256.434 2.105 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]C ZINC000086976429 179371838 /nfs/dbraw/zinc/37/18/38/179371838.db2.gz HJASBIOLJSHLCB-XQQFMLRXSA-N 1 0 261.431 2.226 10 0 CEAERO CCC(O)(CC)C[NH2+]C[C@H](O)c1ccc(F)c(F)c1 ZINC000087028564 179381762 /nfs/dbraw/zinc/38/17/62/179381762.db2.gz AHPGNTXPGMDYBY-ZDUSSCGKSA-N 1 0 273.323 2.139 10 0 CEAERO CC[NH2+][C@H](C1CCOCC1)[C@@H]1CSCCS1 ZINC000086984380 179374094 /nfs/dbraw/zinc/37/40/94/179374094.db2.gz FVARYLNFTWBBEF-NWDGAFQWSA-N 1 0 261.456 2.240 10 0 CEAERO C[NH2+][C@H](Cc1ccccn1)[C@H]1CSCCS1 ZINC000086984806 179374221 /nfs/dbraw/zinc/37/42/21/179374221.db2.gz ORDIMQUBWCUMIX-VXGBXAGGSA-N 1 0 254.424 2.061 10 0 CEAERO CC(C)[NH2+]Cc1csc([C@H]2CSCCO2)n1 ZINC000086989919 179374556 /nfs/dbraw/zinc/37/45/56/179374556.db2.gz SZXGPZABRFPWGN-SNVBAGLBSA-N 1 0 258.412 2.446 10 0 CEAERO CC[C@](C)(O)C[NH2+]C[C@@H](O)c1ccccc1Cl ZINC000087028118 179381909 /nfs/dbraw/zinc/38/19/09/179381909.db2.gz KCGAAMMIUPMAHN-OLZOCXBDSA-N 1 0 257.761 2.124 10 0 CEAERO COCCN(CC(C)C)[C@H](C[NH3+])c1ccc(OC)c(F)c1 ZINC000086991905 179375410 /nfs/dbraw/zinc/37/54/10/179375410.db2.gz KZTANVDHXVQOSF-OAHLLOKOSA-N 1 0 298.402 2.439 10 0 CEAERO [NH3+]CCCN(C(=O)c1c(F)cc(F)cc1F)C1CC1 ZINC000086995695 179376705 /nfs/dbraw/zinc/37/67/05/179376705.db2.gz CLOXDWWGKCNMLN-UHFFFAOYSA-N 1 0 272.270 2.057 10 0 CEAERO C[NH2+]C[C@@H]1CCCCN1C(=O)c1c(F)cc(F)cc1F ZINC000086997940 179377541 /nfs/dbraw/zinc/37/75/41/179377541.db2.gz BYLHRNOMNBQZHT-JTQLQIEISA-N 1 0 286.297 2.318 10 0 CEAERO C[C@@H]([NH3+])Cc1noc(-c2c(F)cc(F)cc2F)n1 ZINC000086998694 179377761 /nfs/dbraw/zinc/37/77/61/179377761.db2.gz MJLCNXPLWQZWON-RXMQYKEDSA-N 1 0 257.215 2.044 10 0 CEAERO CCC[C@H]([NH3+])C(=O)Nc1ccc(Cl)cc1NC(C)=O ZINC000236936472 370659029 /nfs/dbraw/zinc/65/90/29/370659029.db2.gz WBNBSWGQDALWQA-JTQLQIEISA-N 1 0 283.759 2.364 10 0 CEAERO CC1CCC(O)(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000087045719 179388247 /nfs/dbraw/zinc/38/82/47/179388247.db2.gz CCQMSJBLVSWGCF-WBDXWENLSA-N 1 0 267.413 2.331 10 0 CEAERO C[C@H]1CCC[C@](O)(C[NH2+]C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000087052347 179388540 /nfs/dbraw/zinc/38/85/40/179388540.db2.gz XRSFLOSKWRPSPG-BLLLJJGKSA-N 1 0 298.427 2.137 10 0 CEAERO C[C@H]1CCC[C@](O)(C[NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000087050707 179388582 /nfs/dbraw/zinc/38/85/82/179388582.db2.gz QVYSZKWFCNSTBY-DZGCQCFKSA-N 1 0 283.412 2.203 10 0 CEAERO C[C@@H]1CCC[C@@](O)(C[NH2+][C@@H]2CCCc3c2cnn3C)C1 ZINC000087049709 179389002 /nfs/dbraw/zinc/38/90/02/179389002.db2.gz XCGNELNTJAWEFC-XPKDYRNWSA-N 1 0 277.412 2.328 10 0 CEAERO CC[C@H]1C[NH2+]C[C@H](c2ccc3c(c2)OCCCO3)O1 ZINC000087090223 179394428 /nfs/dbraw/zinc/39/44/28/179394428.db2.gz ASSNDCNXAOXTCG-SWLSCSKDSA-N 1 0 263.337 2.287 10 0 CEAERO CCC[NH2+][C@@H](CSCC)Cc1ccnc(N)c1 ZINC000087106097 179394844 /nfs/dbraw/zinc/39/48/44/179394844.db2.gz WYBLQGHEAZKBJA-GFCCVEGCSA-N 1 0 253.415 2.328 10 0 CEAERO CCC1CCC(O)(C[NH2+]Cc2ccc(C(N)=O)cc2)CC1 ZINC000087061391 179389495 /nfs/dbraw/zinc/38/94/95/179389495.db2.gz OBQWVDDYOKNPLQ-UHFFFAOYSA-N 1 0 290.407 2.206 10 0 CEAERO CCN(CC)CC[NH2+]CC1(O)CCC(C)(C)CC1 ZINC000087063627 179390453 /nfs/dbraw/zinc/39/04/53/179390453.db2.gz QBZISCHNSQJJBU-UHFFFAOYSA-N 1 0 256.434 2.249 10 0 CEAERO CC(C)[C@H](CC[NH3+])CCC(=O)NCC1(O)CCC(C)CC1 ZINC000087068241 179390633 /nfs/dbraw/zinc/39/06/33/179390633.db2.gz ZKGWTQSQADYSTN-CKDBGZEDSA-N 1 0 298.471 2.445 10 0 CEAERO CC(C)(C)SCc1noc([C@@]2(C)CC[NH2+]C2)n1 ZINC000087115521 179395626 /nfs/dbraw/zinc/39/56/26/179395626.db2.gz JQDIJSDGHWYDPX-LBPRGKRZSA-N 1 0 255.387 2.352 10 0 CEAERO CC[C@H]1C[NH2+]C[C@H](c2ccc(OC)c(OC)c2)O1 ZINC000087090247 179394089 /nfs/dbraw/zinc/39/40/89/179394089.db2.gz WXRFZCDNLFVAEM-SMDDNHRTSA-N 1 0 251.326 2.143 10 0 CEAERO C[NH2+]Cc1cccc(Br)c1O[C@@H](C)[C@H](C)O ZINC000087125554 179396504 /nfs/dbraw/zinc/39/65/04/179396504.db2.gz VNGSFFKVMARKNU-IUCAKERBSA-N 1 0 288.185 2.317 10 0 CEAERO Clc1ccc(NC2C[NH2+]C2)cc1Br ZINC000087152715 179398010 /nfs/dbraw/zinc/39/80/10/179398010.db2.gz DWVZEMRDDDPBAY-UHFFFAOYSA-N 1 0 261.550 2.486 10 0 CEAERO O[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCC[NH2+]C1 ZINC000087172527 179399384 /nfs/dbraw/zinc/39/93/84/179399384.db2.gz RSHRROYEPCKWOB-LBPRGKRZSA-N 1 0 275.270 2.242 10 0 CEAERO COc1ccc(CC[NH2+]CC[C@H]2CCCO2)cc1OC ZINC000087246922 179404713 /nfs/dbraw/zinc/40/47/13/179404713.db2.gz XLXHIFOYQWFKGB-CQSZACIVSA-N 1 0 279.380 2.405 10 0 CEAERO Cc1ccc([C@@H](C[NH3+])[C@H](O)c2cccnc2)cc1C ZINC000087383034 179418039 /nfs/dbraw/zinc/41/80/39/179418039.db2.gz OHLVFLHLXHRFHL-HZPDHXFCSA-N 1 0 256.349 2.474 10 0 CEAERO CCC[C@H](C[NH3+])NC(=O)c1ccc(OCC)c(OCC)c1 ZINC000087387056 179419163 /nfs/dbraw/zinc/41/91/63/179419163.db2.gz JBCPSGQGLHGHPO-CYBMUJFWSA-N 1 0 294.395 2.341 10 0 CEAERO CCOc1ccc(C(=O)N[C@H](C[NH3+])C(C)C)cc1OCC ZINC000087402903 179419563 /nfs/dbraw/zinc/41/95/63/179419563.db2.gz NCZWMNDUKLKEMM-CYBMUJFWSA-N 1 0 294.395 2.197 10 0 CEAERO C[C@H]1CC[C@@H](C[NH3+])CN1C(=O)c1snnc1C(C)(C)C ZINC000087456053 179428141 /nfs/dbraw/zinc/42/81/41/179428141.db2.gz DJPUKNIZCAYTOE-UWVGGRQHSA-N 1 0 296.440 2.035 10 0 CEAERO CCCc1nnsc1-c1nc([C@H]2CCC[NH2+]C2)no1 ZINC000087456771 179428723 /nfs/dbraw/zinc/42/87/23/179428723.db2.gz IGGMGSAJAJBQCN-QMMMGPOBSA-N 1 0 279.369 2.008 10 0 CEAERO Cn1cc(-c2noc(CC[C@H](CC[NH3+])C(C)(C)C)n2)cn1 ZINC000087412535 179422654 /nfs/dbraw/zinc/42/26/54/179422654.db2.gz LQSLZKRPHPJPCX-GFCCVEGCSA-N 1 0 291.399 2.414 10 0 CEAERO Cc1nnsc1-c1nnc(CCC[NH2+]C(C)(C)C)o1 ZINC000087429617 179425421 /nfs/dbraw/zinc/42/54/21/179425421.db2.gz TZPOLXWSPLFWMO-UHFFFAOYSA-N 1 0 281.385 2.217 10 0 CEAERO CC(C)(C)c1nsc(N[C@H]2CCCC[NH2+]C2)n1 ZINC000087642738 179462326 /nfs/dbraw/zinc/46/23/26/179462326.db2.gz OGNWOAVXZOEFCC-VIFPVBQESA-N 1 0 254.403 2.390 10 0 CEAERO CCOc1cc(C[NH3+])ccc1Oc1ncns1 ZINC000087643415 179462854 /nfs/dbraw/zinc/46/28/54/179462854.db2.gz NXZAHRWDSLBBPG-UHFFFAOYSA-N 1 0 251.311 2.188 10 0 CEAERO CCCc1nsc(N2CCC[C@H]2C[NH2+]C2CC2)n1 ZINC000087643721 179463079 /nfs/dbraw/zinc/46/30/79/179463079.db2.gz KQLODUPHNCQMMN-NSHDSACASA-N 1 0 266.414 2.211 10 0 CEAERO O[C@@H](Cc1ccccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000087650780 179463528 /nfs/dbraw/zinc/46/35/28/179463528.db2.gz FRJPEINSGNUKEA-YPMHNXCESA-N 1 0 284.197 2.352 10 0 CEAERO CC1(C)CCCN(C(=O)c2cc[nH+]c(NN)c2)CC1 ZINC000087660864 179466245 /nfs/dbraw/zinc/46/62/45/179466245.db2.gz UCEDRUBAJGDTQJ-UHFFFAOYSA-N 1 0 262.357 2.020 10 0 CEAERO CCCCOCCOC(=O)[C@@H](C)CCC[C@H](C)[NH3+] ZINC000087673183 179467712 /nfs/dbraw/zinc/46/77/12/179467712.db2.gz SAJDPUFIBOGEPL-STQMWFEESA-N 1 0 259.390 2.500 10 0 CEAERO COc1ccc(NC(=O)[C@@H](C)CCC[C@H](C)[NH3+])cn1 ZINC000087682687 179470394 /nfs/dbraw/zinc/47/03/94/179470394.db2.gz YSUCVWLBOUESNI-QWRGUYRKSA-N 1 0 265.357 2.182 10 0 CEAERO C[C@H]([NH3+])CCC[C@H](C)C(=O)NCC1(O)CCC(C)CC1 ZINC000087704236 179473220 /nfs/dbraw/zinc/47/32/20/179473220.db2.gz DMZSCYQRZSRFCC-WJEHIRDRSA-N 1 0 284.444 2.197 10 0 CEAERO CC1(C(=O)N2CCC[C@H]3CCC[C@H]32)CC[NH2+]CC1 ZINC000087770137 179483604 /nfs/dbraw/zinc/48/36/04/179483604.db2.gz UTQXFFGNPKERGA-CHWSQXEVSA-N 1 0 250.386 2.167 10 0 CEAERO CC(C)[C@H](C[NH3+])C(=O)Nc1cccc(Cn2cccn2)c1 ZINC000087516499 179438524 /nfs/dbraw/zinc/43/85/24/179438524.db2.gz JYYWXRHZEKMQGA-HNNXBMFYSA-N 1 0 286.379 2.101 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N[C@H](C)Cc1ccccc1C ZINC000087523473 179440124 /nfs/dbraw/zinc/44/01/24/179440124.db2.gz DJNRXNMBTMTLKY-UKRRQHHQSA-N 1 0 262.397 2.417 10 0 CEAERO CC[C@H](C[NH3+])C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000087533167 179442509 /nfs/dbraw/zinc/44/25/09/179442509.db2.gz OHZLEIWJGDHZEC-MRVPVSSYSA-N 1 0 255.387 2.364 10 0 CEAERO CCOC(=O)C[C@](C)([NH2+]C)c1ccc(OC)c(OC)c1 ZINC000087547149 179443121 /nfs/dbraw/zinc/44/31/21/179443121.db2.gz AEZPMEMOXAJAQQ-HNNXBMFYSA-N 1 0 281.352 2.092 10 0 CEAERO Cc1cc(CNC(=O)[C@@H]([NH3+])C(C)(C)C)sc1C ZINC000087578212 179450183 /nfs/dbraw/zinc/45/01/83/179450183.db2.gz POWBCVSBBQCJSJ-LLVKDONJSA-N 1 0 254.399 2.355 10 0 CEAERO CCCOCc1noc([C@@H]2C[NH2+]Cc3ccccc32)n1 ZINC000087611726 179454312 /nfs/dbraw/zinc/45/43/12/179454312.db2.gz VMXOTTMMCXSKRS-CYBMUJFWSA-N 1 0 273.336 2.231 10 0 CEAERO CC(C)CN(C)c1cc(NN)[nH+]c(C(C)(C)C)n1 ZINC000087909473 179517228 /nfs/dbraw/zinc/51/72/28/179517228.db2.gz ABCAVLGLBGFROG-UHFFFAOYSA-N 1 0 251.378 2.152 10 0 CEAERO CCc1nc(O[C@@H]2CCC[C@H](C)C2)cc(NN)[nH+]1 ZINC000087907334 179517506 /nfs/dbraw/zinc/51/75/06/179517506.db2.gz DTPJYLAZOKWJRH-VHSXEESVSA-N 1 0 250.346 2.282 10 0 CEAERO CC(C)[N@@H+]1CCOC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000616659765 348551776 /nfs/dbraw/zinc/55/17/76/348551776.db2.gz FJWLYIFTSDVVPV-ZDUSSCGKSA-N 1 0 286.416 2.258 10 0 CEAERO CC(C)(C)[N@@H+]1CCN[C@@H](c2ccc3nnccc3c2)C1 ZINC000616632804 348540840 /nfs/dbraw/zinc/54/08/40/348540840.db2.gz ZWHAWFYSSVDKFJ-OAHLLOKOSA-N 1 0 270.380 2.375 10 0 CEAERO CC(C)(C)[N@@H+]1CCOC[C@H]1c1ccc(CCO)cc1 ZINC000616641181 348543912 /nfs/dbraw/zinc/54/39/12/348543912.db2.gz DAKUTTJYGGSPIR-HNNXBMFYSA-N 1 0 263.381 2.393 10 0 CEAERO CC(C)(C)[N@@H+]1CCCOC[C@H]1c1cccc(C(N)=O)c1 ZINC000616645515 348545284 /nfs/dbraw/zinc/54/52/84/348545284.db2.gz OLBUYSQZBSZYFH-AWEZNQCLSA-N 1 0 276.380 2.347 10 0 CEAERO CC(C)(C)[N@@H+]1CCCO[C@H](c2ccc(C(N)=O)cc2)C1 ZINC000616648849 348547051 /nfs/dbraw/zinc/54/70/51/348547051.db2.gz FOOULUGDJVAAPC-AWEZNQCLSA-N 1 0 276.380 2.347 10 0 CEAERO CCc1nc(O[C@@H](C)CC(C)C)c(C)c(NN)[nH+]1 ZINC000087919159 179523319 /nfs/dbraw/zinc/52/33/19/179523319.db2.gz FXQWTROHMJLJLK-VIFPVBQESA-N 1 0 252.362 2.446 10 0 CEAERO CC[N@@H+]1CCCOC[C@H]1c1ccc2ccnnc2c1 ZINC000616650022 348547681 /nfs/dbraw/zinc/54/76/81/348547681.db2.gz VHOBACPFXAKNIP-HNNXBMFYSA-N 1 0 257.337 2.413 10 0 CEAERO Brc1cnn([C@@H]2CC[C@H]2C[NH2+]C2CC2)c1 ZINC000087923825 179524142 /nfs/dbraw/zinc/52/41/42/179524142.db2.gz HVHYGFNIDUTNTN-GZMMTYOYSA-N 1 0 270.174 2.349 10 0 CEAERO CCC1CCC(C[NH3+])(CCCS(C)(=O)=O)CC1 ZINC000087933739 179527491 /nfs/dbraw/zinc/52/74/91/179527491.db2.gz KJTNNYOTZJHADT-UHFFFAOYSA-N 1 0 261.431 2.357 10 0 CEAERO c1ccc(C[N@@H+]2CCCO[C@H](c3cccnn3)C2)cc1 ZINC000616652099 348548604 /nfs/dbraw/zinc/54/86/04/348548604.db2.gz IPRLMINCQAIVCU-INIZCTEOSA-N 1 0 269.348 2.440 10 0 CEAERO C(C[C@@H]1CCCC[NH2+]1)c1nc([C@H]2CCCOC2)no1 ZINC000087813582 179491089 /nfs/dbraw/zinc/49/10/89/179491089.db2.gz QCGFWGHUHDIGDJ-RYUDHWBXSA-N 1 0 265.357 2.038 10 0 CEAERO CCC[NH2+][C@@H](c1cnn(CC)c1)[C@@H]1CCCOC1 ZINC000087815043 179491181 /nfs/dbraw/zinc/49/11/81/179491181.db2.gz CZNBXEUVICLFID-TZMCWYRMSA-N 1 0 251.374 2.370 10 0 CEAERO c1ccc(C[N@@H+]2CCCO[C@H](c3ccnnc3)C2)cc1 ZINC000616652649 348549475 /nfs/dbraw/zinc/54/94/75/348549475.db2.gz MWDAYYKFFRTNKG-INIZCTEOSA-N 1 0 269.348 2.440 10 0 CEAERO CC[N@@H+]1CCCO[C@@H](c2ccc3ccnnc3c2)C1 ZINC000616653326 348549531 /nfs/dbraw/zinc/54/95/31/348549531.db2.gz LUMIZUSQIAQZMQ-OAHLLOKOSA-N 1 0 257.337 2.413 10 0 CEAERO COc1ccc(CS(=O)(=O)c2cccs2)cc1C[NH3+] ZINC000087833048 179497367 /nfs/dbraw/zinc/49/73/67/179497367.db2.gz BPZBYWMCOZJUHB-UHFFFAOYSA-N 1 0 297.401 2.189 10 0 CEAERO CC(=O)Nc1ccc([C@H]2COCC[N@@H+](C(C)C)C2)cc1 ZINC000616658009 348550420 /nfs/dbraw/zinc/55/04/20/348550420.db2.gz ALAVUAPRQXOVQO-OAHLLOKOSA-N 1 0 276.380 2.469 10 0 CEAERO C[C@@]1(c2nc([C@@H]3COc4ccccc4O3)no2)CCC[NH2+]1 ZINC000087855928 179501942 /nfs/dbraw/zinc/50/19/42/179501942.db2.gz QXHCCOXMLXJQGU-WFASDCNBSA-N 1 0 287.319 2.181 10 0 CEAERO C[NH2+][C@H](c1cc(Cl)ccc1OC)[C@@H]1COCCO1 ZINC000087857775 179502481 /nfs/dbraw/zinc/50/24/81/179502481.db2.gz IASLAVPNQQUHSM-QWHCGFSZSA-N 1 0 271.744 2.025 10 0 CEAERO [NH3+][C@H]1CN(C(=O)CC2CC2)CC[C@@H]1c1ccc(F)cc1 ZINC000616569923 348523679 /nfs/dbraw/zinc/52/36/79/348523679.db2.gz LAQUUABAAJCFSE-CABCVRRESA-N 1 0 276.355 2.269 10 0 CEAERO Cc1nc([C@@H]2COc3ccccc3O2)nc(C)c1CC[NH3+] ZINC000087860916 179504587 /nfs/dbraw/zinc/50/45/87/179504587.db2.gz WSLKBMNVKJYTLB-HNNXBMFYSA-N 1 0 285.347 2.107 10 0 CEAERO Cc1cc(N[C@H](C)Cc2cccs2)nc(NN)[nH+]1 ZINC000087876666 179507868 /nfs/dbraw/zinc/50/78/68/179507868.db2.gz ZHFNQKJQFYPHCR-MRVPVSSYSA-N 1 0 263.370 2.175 10 0 CEAERO CC[N@@H+]1CCOCC[C@H]1c1ccc2ccnnc2c1 ZINC000616597867 348529547 /nfs/dbraw/zinc/52/95/47/348529547.db2.gz LQFVJSXUHVKYSX-HNNXBMFYSA-N 1 0 257.337 2.413 10 0 CEAERO CC[N@@H+]1CCOC[C@@H](c2cccc(NC(C)=O)c2)C1 ZINC000616596791 348529630 /nfs/dbraw/zinc/52/96/30/348529630.db2.gz BXGNYPOTAQVBOL-AWEZNQCLSA-N 1 0 262.353 2.081 10 0 CEAERO CC(=O)Nc1ccccc1[C@H]1C[N@@H+](C(C)(C)C)CCN1 ZINC000616600119 348530219 /nfs/dbraw/zinc/53/02/19/348530219.db2.gz BXONTSHUKVTQQW-OAHLLOKOSA-N 1 0 275.396 2.390 10 0 CEAERO CC[C@@H](Nc1cc(C)[nH+]c(NN)n1)c1nccs1 ZINC000087881376 179509119 /nfs/dbraw/zinc/50/91/19/179509119.db2.gz QGDQPEMZOGZKPF-MRVPVSSYSA-N 1 0 264.358 2.090 10 0 CEAERO CSc1nc(N[C@H](C)c2nccs2)cc(NN)[nH+]1 ZINC000087881421 179509497 /nfs/dbraw/zinc/50/94/97/179509497.db2.gz HWTQXNYOQXPKCE-ZCFIWIBFSA-N 1 0 282.398 2.114 10 0 CEAERO [NH3+]CCN1CCC(c2ccc3cccnc3c2)CC1 ZINC000616619338 348536704 /nfs/dbraw/zinc/53/67/04/348536704.db2.gz HYVPXPCFDDTXBX-UHFFFAOYSA-N 1 0 255.365 2.373 10 0 CEAERO CSc1nc(N2CCCCCCC2)cc(NN)[nH+]1 ZINC000087897665 179515688 /nfs/dbraw/zinc/51/56/88/179515688.db2.gz PRPMJBHKXAPNQU-UHFFFAOYSA-N 1 0 267.402 2.255 10 0 CEAERO [NH3+]CCN1CCC[C@H](c2ccc3ncccc3c2)C1 ZINC000616621541 348537222 /nfs/dbraw/zinc/53/72/22/348537222.db2.gz RYRDVTDEACZGIY-HNNXBMFYSA-N 1 0 255.365 2.373 10 0 CEAERO CCc1ccsc1CNc1nc(NN)[nH+]cc1C ZINC000087895423 179515766 /nfs/dbraw/zinc/51/57/66/179515766.db2.gz PLRGVBMBOWYDJE-UHFFFAOYSA-N 1 0 263.370 2.307 10 0 CEAERO CC(C)C[C@@H](C[NH3+])CC(=O)OC[C@@H]1CCCCO1 ZINC000088273434 179573477 /nfs/dbraw/zinc/57/34/77/179573477.db2.gz BTQZXXLGXJVHFJ-OLZOCXBDSA-N 1 0 257.374 2.110 10 0 CEAERO C[C@@H]1CN(Cc2nnc(-c3ccccc3Cl)o2)CC[NH2+]1 ZINC000088060363 179543332 /nfs/dbraw/zinc/54/33/32/179543332.db2.gz VNHISXRRPFQMCJ-SNVBAGLBSA-N 1 0 292.770 2.184 10 0 CEAERO C[C@@H]([NH3+])C[S@@](=O)Cc1nc(C(C)(C)C)cs1 ZINC000088070102 179544145 /nfs/dbraw/zinc/54/41/45/179544145.db2.gz CFGZIPLIIVSJRJ-BCTVWOGZSA-N 1 0 260.428 2.037 10 0 CEAERO COc1cccc(F)c1C(=O)N[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000088080024 179545032 /nfs/dbraw/zinc/54/50/32/179545032.db2.gz SEDVFFRNQGGNDX-CMPLNLGQSA-N 1 0 280.343 2.095 10 0 CEAERO CC(C)c1nsc(N2CCC[C@@H](C)[C@H]2C[NH3+])n1 ZINC000087642785 539652510 /nfs/dbraw/zinc/65/25/10/539652510.db2.gz XVEGMVNRSRRWNT-NXEZZACHSA-N 1 0 254.403 2.225 10 0 CEAERO COCC[NH2+]CCOc1cc(F)cc(Br)c1 ZINC000088139257 179555901 /nfs/dbraw/zinc/55/59/01/179555901.db2.gz DEYCXIWMKSBGKH-UHFFFAOYSA-N 1 0 292.148 2.203 10 0 CEAERO CC(C)N(C)C(=O)COc1cccc2c1CCC[C@H]2[NH3+] ZINC000088151183 179557830 /nfs/dbraw/zinc/55/78/30/179557830.db2.gz XPCPIRVEFUKEIF-CQSZACIVSA-N 1 0 276.380 2.268 10 0 CEAERO C[NH2+][C@H]1CCCc2c(OCC(=O)NCC(C)C)cccc21 ZINC000088151819 179557919 /nfs/dbraw/zinc/55/79/19/179557919.db2.gz QWLVVUKZMLVDHV-HNNXBMFYSA-N 1 0 290.407 2.434 10 0 CEAERO CCCNC(=[NH2+])N(C)[C@H](C)Cc1ccccc1OC ZINC000088204321 179566199 /nfs/dbraw/zinc/56/61/99/179566199.db2.gz RPWUZXRUUPQSGJ-GFCCVEGCSA-N 1 0 263.385 2.492 10 0 CEAERO CCOC(=O)c1ccc([C@@H]2CC[N@H+](C)CCO2)cc1 ZINC000616686262 348560765 /nfs/dbraw/zinc/56/07/65/348560765.db2.gz HHBIJCYWVRUYPH-AWEZNQCLSA-N 1 0 263.337 2.257 10 0 CEAERO [NH3+]CCN1C[C@@H](c2cccnc2)Nc2ccccc21 ZINC000616691488 348561919 /nfs/dbraw/zinc/56/19/19/348561919.db2.gz BSXIRDQPURJZQU-AWEZNQCLSA-N 1 0 254.337 2.014 10 0 CEAERO CC[C@@H](NC(=O)[C@@H]1C[NH2+]Cc2ccccc21)C(C)C ZINC000087618698 539651667 /nfs/dbraw/zinc/65/16/67/539651667.db2.gz YLMRDSCMZHTGRY-HUUCEWRRSA-N 1 0 260.381 2.424 10 0 CEAERO COc1ccccc1OCCN1CC[NH2+]C2(CCCC2)C1 ZINC000088415483 179595639 /nfs/dbraw/zinc/59/56/39/179595639.db2.gz QXZMRQXHRGDIQJ-UHFFFAOYSA-N 1 0 290.407 2.292 10 0 CEAERO COc1ccccc1OCCN1CC[NH2+]C[C@H]1CC(C)C ZINC000088415545 179596381 /nfs/dbraw/zinc/59/63/81/179596381.db2.gz JLFYOAQXCOCCJH-OAHLLOKOSA-N 1 0 292.423 2.394 10 0 CEAERO COc1ccccc1OCC[C@@]1(C[NH3+])CCCC[C@H]1O ZINC000088415933 179596452 /nfs/dbraw/zinc/59/64/52/179596452.db2.gz MNNOAAUNVPPKBF-HZPDHXFCSA-N 1 0 279.380 2.344 10 0 CEAERO Cc1cc(NC(=O)[C@H]2C[NH2+]C[C@H](C)C2)ccc1F ZINC000088450997 179606659 /nfs/dbraw/zinc/60/66/59/179606659.db2.gz CFAWHAAKUWUDTN-MWLCHTKSSA-N 1 0 250.317 2.318 10 0 CEAERO [NH3+]C[C@H]1CC[C@@H](CN2CCCCc3ccccc32)O1 ZINC000088335948 179579342 /nfs/dbraw/zinc/57/93/42/179579342.db2.gz HVLRZNXHOVSYMU-CABCVRRESA-N 1 0 260.381 2.336 10 0 CEAERO CC(C)(C)NC(=O)N1CC[NH2+]CC12CCCCC2 ZINC000088396150 179591329 /nfs/dbraw/zinc/59/13/29/179591329.db2.gz DCRVRONRVDMIEJ-UHFFFAOYSA-N 1 0 253.390 2.103 10 0 CEAERO CC[NH2+][C@H](Cc1ncnn1C)[C@@H]1CCc2ccccc21 ZINC000088582534 179630183 /nfs/dbraw/zinc/63/01/83/179630183.db2.gz ZTLNRNUJAIBAHF-HUUCEWRRSA-N 1 0 270.380 2.066 10 0 CEAERO C[NH2+][C@H](CSC1CCCCC1)Cc1ncnn1C ZINC000088582349 179630216 /nfs/dbraw/zinc/63/02/16/179630216.db2.gz LYQFMMCCRYIDLO-NSHDSACASA-N 1 0 268.430 2.012 10 0 CEAERO CC[C@@H](C)[C@H]1CN(Cc2ncnn2C)C(CC)(CC)C[NH2+]1 ZINC000088583965 179630907 /nfs/dbraw/zinc/63/09/07/179630907.db2.gz QSVAFTFMLXOBOD-ZIAGYGMSSA-N 1 0 293.459 2.194 10 0 CEAERO CC(C)n1ncnc1COc1cccc([C@@H](C)[NH3+])c1 ZINC000088585343 179631497 /nfs/dbraw/zinc/63/14/97/179631497.db2.gz GHCBBJXFCZQLEE-LLVKDONJSA-N 1 0 260.341 2.458 10 0 CEAERO CCCn1ncnc1COc1ccc(C(N)=[NH2+])cc1Cl ZINC000088594711 179632540 /nfs/dbraw/zinc/63/25/40/179632540.db2.gz ZPGGAUABVJWTQR-UHFFFAOYSA-N 1 0 293.758 2.205 10 0 CEAERO CC(C)n1ncnc1CN1CCC[C@H]1C[NH2+]C(C)(C)C ZINC000088595276 179632672 /nfs/dbraw/zinc/63/26/72/179632672.db2.gz AJSSSHODCWNICR-ZDUSSCGKSA-N 1 0 279.432 2.212 10 0 CEAERO CCn1ncnc1C[C@@](C)([NH3+])c1ccccc1Cl ZINC000088607001 179636719 /nfs/dbraw/zinc/63/67/19/179636719.db2.gz YZUPUQTXXSXBNG-CYBMUJFWSA-N 1 0 264.760 2.368 10 0 CEAERO CC[NH2+][C@H](Cc1ncnn1CC)Cc1ccc(OC)cc1 ZINC000088610993 179637795 /nfs/dbraw/zinc/63/77/95/179637795.db2.gz UFKFAPJPAIJFKP-AWEZNQCLSA-N 1 0 288.395 2.070 10 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SDQUQUZHFZFCAO-KBPBESRZSA-N 1 0 293.459 2.458 10 0 CEAERO CN(CC[NH+](C)C)C(=O)c1sc2ccccc2c1N ZINC000088638647 179645761 /nfs/dbraw/zinc/64/57/61/179645761.db2.gz UJXKZYIGHYSBHS-UHFFFAOYSA-N 1 0 277.393 2.117 10 0 CEAERO Cc1ccc2c(N)c(C(=O)N3CCC[C@H]([NH3+])C3)sc2c1 ZINC000088641270 179646106 /nfs/dbraw/zinc/64/61/06/179646106.db2.gz KJRIMYVMRJDLTH-JTQLQIEISA-N 1 0 289.404 2.355 10 0 CEAERO [NH3+][C@@H](Cc1ccccn1)c1ccc2nccnc2c1 ZINC000088530533 179618094 /nfs/dbraw/zinc/61/80/94/179618094.db2.gz GHDADQQKQGTMIH-ZDUSSCGKSA-N 1 0 250.305 2.267 10 0 CEAERO CCc1nc(CC)n([C@@H]2CC(C)(C)CC[C@H]2[NH3+])n1 ZINC000088740938 179662113 /nfs/dbraw/zinc/66/21/13/179662113.db2.gz WCDYQDFMXSKBGZ-GHMZBOCLSA-N 1 0 250.390 2.481 10 0 CEAERO C[NH2+][C@@H]1COc2cc(O[C@H]3CCCCC[C@@H]3O)ccc21 ZINC000088761971 179668623 /nfs/dbraw/zinc/66/86/23/179668623.db2.gz BWXAKIDZFVGCLO-ILXRZTDVSA-N 1 0 277.364 2.412 10 0 CEAERO CCCN(CC1CC1)S(=O)(=O)c1cccc(C[NH3+])c1C ZINC000088994821 179690254 /nfs/dbraw/zinc/69/02/54/179690254.db2.gz PTJRKEJQZLLMKL-UHFFFAOYSA-N 1 0 296.436 2.264 10 0 CEAERO CC(C)C[NH2+]CCc1nnc(-c2cscn2)s1 ZINC000088823911 179678610 /nfs/dbraw/zinc/67/86/10/179678610.db2.gz YCMPKJXISIDEBX-UHFFFAOYSA-N 1 0 268.411 2.450 10 0 CEAERO CCOc1ccc([C@H](C)NC(=O)[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000233793610 539681547 /nfs/dbraw/zinc/68/15/47/539681547.db2.gz XCJCSXIDXXTRCP-TYNCELHUSA-N 1 0 276.380 2.118 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1cccc2[nH]ccc21 ZINC000089090916 179698737 /nfs/dbraw/zinc/69/87/37/179698737.db2.gz QPOLPTUKIFIQGP-MFKMUULPSA-N 1 0 257.337 2.025 10 0 CEAERO CN(C(=O)[C@@H]1CCOc2ccccc21)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089111079 179705848 /nfs/dbraw/zinc/70/58/48/179705848.db2.gz YMFIDWPTWZTFLJ-BPLDGKMQSA-N 1 0 288.391 2.139 10 0 CEAERO CN(C(=O)c1ccc2cc[nH]c2c1)[C@H]1CCC[C@H]1C[NH3+] ZINC000089111166 179705936 /nfs/dbraw/zinc/70/59/36/179705936.db2.gz IHBMTNZSHRMVIY-ZFWWWQNUSA-N 1 0 271.364 2.367 10 0 CEAERO CC[NH2+]CCCS(=O)(=O)N1CCC[C@H](C(C)C)CC1 ZINC000089047313 179693435 /nfs/dbraw/zinc/69/34/35/179693435.db2.gz HQDOLYMLQIKXNK-AWEZNQCLSA-N 1 0 290.473 2.074 10 0 CEAERO C[NH2+]CCc1ccc(S(=O)(=O)NC2(C)CCCC2)cc1 ZINC000089049082 179693507 /nfs/dbraw/zinc/69/35/07/179693507.db2.gz CRQQIILZQGVYJQ-UHFFFAOYSA-N 1 0 296.436 2.060 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1Nc1ccc(-n2cccn2)nc1 ZINC000089142565 179720493 /nfs/dbraw/zinc/72/04/93/179720493.db2.gz ABWGPUFCNMYIKB-GXTWGEPZSA-N 1 0 271.368 2.197 10 0 CEAERO Cc1c(N[C@@H]2CCCC[C@H]2C[NH3+])cccc1C(N)=O ZINC000089142402 179720523 /nfs/dbraw/zinc/72/05/23/179720523.db2.gz XGAWMZPATYJGSC-SMDDNHRTSA-N 1 0 261.369 2.023 10 0 CEAERO COC(=O)c1ccc(C)c(N[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000089148430 179723845 /nfs/dbraw/zinc/72/38/45/179723845.db2.gz YVPSAYWQNZHITO-QWHCGFSZSA-N 1 0 262.353 2.321 10 0 CEAERO Cc1cc(COc2cc(F)ccc2[C@H](C)[NH3+])n(C)n1 ZINC000089181523 179745118 /nfs/dbraw/zinc/74/51/18/179745118.db2.gz CGRQUIVZVDUFCF-JTQLQIEISA-N 1 0 263.316 2.466 10 0 CEAERO CCCN(Cc1cc(CC)nn1CC)[C@H]1CC[NH2+]C1 ZINC000089188502 179747472 /nfs/dbraw/zinc/74/74/72/179747472.db2.gz DIDVLRQNPMNHDV-AWEZNQCLSA-N 1 0 264.417 2.039 10 0 CEAERO CCC1(C)CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089462207 539719211 /nfs/dbraw/zinc/71/92/11/539719211.db2.gz ZRXUGHNOYVXKEP-CHWSQXEVSA-N 1 0 252.402 2.400 10 0 CEAERO Cc1nn(C)c(CN(C)c2cccc(C(N)=[NH2+])c2)c1Cl ZINC000089234219 179759779 /nfs/dbraw/zinc/75/97/79/179759779.db2.gz CDSRTZMKYRGUPJ-UHFFFAOYSA-N 1 0 291.786 2.302 10 0 CEAERO CCc1cc(C[C@H](Cc2csc(C)n2)[NH2+]C)n(C)n1 ZINC000089194344 179750574 /nfs/dbraw/zinc/75/05/74/179750574.db2.gz YMYAKGOCANYBTL-LBPRGKRZSA-N 1 0 278.425 2.121 10 0 CEAERO COc1ccc([C@H](C)NC(=O)[C@H]2CCC[C@@H]2C[NH3+])cc1F ZINC000089453323 539716660 /nfs/dbraw/zinc/71/66/60/539716660.db2.gz FOTKRVOXQNZRJI-UHTWSYAYSA-N 1 0 294.370 2.387 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000089454194 539716686 /nfs/dbraw/zinc/71/66/86/539716686.db2.gz FJXOREBCFTWXPK-JSGCOSHPSA-N 1 0 284.363 2.390 10 0 CEAERO COCc1cccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000089451539 539717269 /nfs/dbraw/zinc/71/72/69/539717269.db2.gz WFZZKODCASJZQD-JSGCOSHPSA-N 1 0 262.353 2.147 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCCC1CCCCC1 ZINC000089454480 539717338 /nfs/dbraw/zinc/71/73/38/539717338.db2.gz UTOXBXIHYDGWAJ-ZIAGYGMSSA-N 1 0 252.402 2.448 10 0 CEAERO C[C@H](CNC(=O)[C@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000089460170 539718167 /nfs/dbraw/zinc/71/81/67/539718167.db2.gz SQQVWEFQFNAKHU-YUELXQCFSA-N 1 0 260.381 2.281 10 0 CEAERO CC[C@H]1C[NH2+][C@H](CC(C)C)CN1Cc1cc(C)nn1C ZINC000089210101 179755341 /nfs/dbraw/zinc/75/53/41/179755341.db2.gz VDKMDVOIOJMRPN-CABCVRRESA-N 1 0 278.444 2.327 10 0 CEAERO C[C@]1(CNc2ncnc3sccc32)CCC[NH2+]C1 ZINC000129415852 187429447 /nfs/dbraw/zinc/42/94/47/187429447.db2.gz YKMUGAGNHRBEES-ZDUSSCGKSA-N 1 0 262.382 2.493 10 0 CEAERO CCC[NH2+]CCOCc1c(Cl)c(CC)nn1C ZINC000089321162 179769253 /nfs/dbraw/zinc/76/92/53/179769253.db2.gz ZUZXJRUKUHJBDS-UHFFFAOYSA-N 1 0 259.781 2.152 10 0 CEAERO Cc1nc(CN2CC[NH2+]CC23CCCC3)cs1 ZINC000089270245 179763502 /nfs/dbraw/zinc/76/35/02/179763502.db2.gz MLUQAFLFGJTIAZ-UHFFFAOYSA-N 1 0 251.399 2.170 10 0 CEAERO COc1ccccc1CNC(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089385651 179777617 /nfs/dbraw/zinc/77/76/17/179777617.db2.gz DRERQDXZRHVDER-OCCSQVGLSA-N 1 0 276.380 2.077 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1C(=O)Nc1cccc2c[nH]nc21 ZINC000089390146 179778872 /nfs/dbraw/zinc/77/88/72/179778872.db2.gz SVNPFOGGSMYLBW-JQWIXIFHSA-N 1 0 272.352 2.267 10 0 CEAERO Cc1ccc(F)c(NC(=O)[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000089450269 179792431 /nfs/dbraw/zinc/79/24/31/179792431.db2.gz QTCUWPNEIKVVCK-QWRGUYRKSA-N 1 0 250.317 2.448 10 0 CEAERO COc1ccc2nc([C@H]3CCCC[C@H]3C[NH3+])[nH]c2n1 ZINC000089383220 179776095 /nfs/dbraw/zinc/77/60/95/179776095.db2.gz UWVNUKUSEJWOHH-UWVGGRQHSA-N 1 0 260.341 2.199 10 0 CEAERO CS(=O)(=O)c1ccc(NC[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000089532334 179811868 /nfs/dbraw/zinc/81/18/68/179811868.db2.gz UVFLETJICSPBLO-STQMWFEESA-N 1 0 296.436 2.267 10 0 CEAERO COCc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2CO)cc1 ZINC000089492615 179803111 /nfs/dbraw/zinc/80/31/11/179803111.db2.gz YBADMJVMHNNDIR-HOTGVXAUSA-N 1 0 263.381 2.331 10 0 CEAERO COc1ccc(OCC[NH2+]C[C@@H]2CCC[C@@H]2CO)cc1 ZINC000089498393 179804635 /nfs/dbraw/zinc/80/46/35/179804635.db2.gz MJHLICBGWJDZQV-UONOGXRCSA-N 1 0 279.380 2.072 10 0 CEAERO Cc1ccc(NC(=O)NC[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089500871 179805499 /nfs/dbraw/zinc/80/54/99/179805499.db2.gz AQGKYJXTPALNLV-CHWSQXEVSA-N 1 0 261.369 2.492 10 0 CEAERO Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@@H]1CCCC[C@@H]1CO ZINC000089505302 179806685 /nfs/dbraw/zinc/80/66/85/179806685.db2.gz QIMSBNJLIWSFEP-GUTXKFCHSA-N 1 0 277.412 2.186 10 0 CEAERO c1ccc2c(c1)CCC[C@H]2C[NH2+]C[C@H]1COCCO1 ZINC000104320135 185967884 /nfs/dbraw/zinc/96/78/84/185967884.db2.gz RBSKTJXDLNISSR-GJZGRUSLSA-N 1 0 261.365 2.112 10 0 CEAERO CCOc1ccccc1CN(C)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000089745265 179858598 /nfs/dbraw/zinc/85/85/98/179858598.db2.gz UHOOUSYSWSHIKN-ZDUSSCGKSA-N 1 0 276.380 2.043 10 0 CEAERO Cc1cc(C(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)ccc1F ZINC000089710090 179850976 /nfs/dbraw/zinc/85/09/76/179850976.db2.gz IHBOZBFGMNBFDU-SMDDNHRTSA-N 1 0 264.344 2.156 10 0 CEAERO CCN(c1ccccc1F)[C@@H](C[NH3+])c1cncn1C ZINC000090167810 179924079 /nfs/dbraw/zinc/92/40/79/179924079.db2.gz YMHXERXTBYVRDH-ZDUSSCGKSA-N 1 0 262.332 2.086 10 0 CEAERO Cn1cncc1[C@@H](C[NH3+])Nc1ccccc1Br ZINC000090168122 179924297 /nfs/dbraw/zinc/92/42/97/179924297.db2.gz RARMTSKKAJXWJR-LLVKDONJSA-N 1 0 295.184 2.295 10 0 CEAERO Cc1ccc(C)c([C@@H]([NH2+]C[C@@H](O)CO)c2ccccc2)c1 ZINC000090282008 179948077 /nfs/dbraw/zinc/94/80/77/179948077.db2.gz SNSHYNAZDZCVMX-AEFFLSMTSA-N 1 0 285.387 2.336 10 0 CEAERO CCCN([C@@H](C)c1cc(OC)ccc1OC)C1C[NH2+]C1 ZINC000090292684 179951432 /nfs/dbraw/zinc/95/14/32/179951432.db2.gz VJOIYZFWPSTAME-LBPRGKRZSA-N 1 0 278.396 2.449 10 0 CEAERO CCCN([C@@H](C)c1ccc(O)c(OC)c1)C1C[NH2+]C1 ZINC000090292659 179951562 /nfs/dbraw/zinc/95/15/62/179951562.db2.gz PGLZTQVMEUFCAF-NSHDSACASA-N 1 0 264.369 2.146 10 0 CEAERO CCCN(CC(=O)N[C@@H](C)CCCC(C)C)C1C[NH2+]C1 ZINC000090293436 179951874 /nfs/dbraw/zinc/95/18/74/179951874.db2.gz BRBGEQSZIBHCEV-AWEZNQCLSA-N 1 0 283.460 2.001 10 0 CEAERO CC(C)[NH2+]C[C@H](O)COc1ccc(F)c(Cl)c1 ZINC000104408065 185990557 /nfs/dbraw/zinc/99/05/57/185990557.db2.gz HKMADKMAMDBNRT-VIFPVBQESA-N 1 0 261.724 2.217 10 0 CEAERO CCCN(C(=O)Nc1ccccc1F)C1C[NH2+]C1 ZINC000090293180 179952011 /nfs/dbraw/zinc/95/20/11/179952011.db2.gz KMQFYGGWTUTALT-UHFFFAOYSA-N 1 0 251.305 2.041 10 0 CEAERO CCCN(Cc1c(Cl)c(CC)nn1CC)C1C[NH2+]C1 ZINC000090294058 179952139 /nfs/dbraw/zinc/95/21/39/179952139.db2.gz HISGRIMSGCAKMH-UHFFFAOYSA-N 1 0 284.835 2.303 10 0 CEAERO CCN(c1ccccc1C)[C@@](C)(C[NH3+])C(OC)OC ZINC000090266331 179942810 /nfs/dbraw/zinc/94/28/10/179942810.db2.gz AHMDYZJNPVDRFX-HNNXBMFYSA-N 1 0 266.385 2.158 10 0 CEAERO O=C(c1ccc(Cl)c(Cl)c1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090321498 179957748 /nfs/dbraw/zinc/95/77/48/179957748.db2.gz YKCFNSRLZIJIFW-UWVGGRQHSA-N 1 0 285.174 2.285 10 0 CEAERO C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)Nc1ccccc1Cl ZINC000090325761 179959399 /nfs/dbraw/zinc/95/93/99/179959399.db2.gz QWVIRTLPDOLSDO-MXWKQRLJSA-N 1 0 279.771 2.412 10 0 CEAERO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1c1ccc2ccccc2n1 ZINC000090328389 179959862 /nfs/dbraw/zinc/95/98/62/179959862.db2.gz XXCMLLOTXUORMH-MRVWCRGKSA-N 1 0 253.349 2.279 10 0 CEAERO Cc1cccc(C(=O)N2C[C@@H]3C[NH2+]C[C@H]3C2(C)C)c1 ZINC000090335773 179964980 /nfs/dbraw/zinc/96/49/80/179964980.db2.gz VWPFOEVRSPXIHH-UONOGXRCSA-N 1 0 258.365 2.065 10 0 CEAERO Cc1nc(N2C[C@@H]3C[NH2+]C[C@@H]3C2(C)C)sc1C ZINC000090338809 179966635 /nfs/dbraw/zinc/96/66/35/179966635.db2.gz OIEUQMBRXZMFKP-QWRGUYRKSA-N 1 0 251.399 2.194 10 0 CEAERO COC(=O)[C@H](CS[C@H](C)C[NH3+])c1ccccc1 ZINC000090341113 179967705 /nfs/dbraw/zinc/96/77/05/179967705.db2.gz NUHBYQKDPAPAGW-ZYHUDNBSSA-N 1 0 253.367 2.024 10 0 CEAERO Cc1ccc(NC(=O)CSC[C@@H](C)[NH3+])cc1C ZINC000090343494 179968932 /nfs/dbraw/zinc/96/89/32/179968932.db2.gz AIRIMBLUYSFDJE-LLVKDONJSA-N 1 0 252.383 2.322 10 0 CEAERO C[C@@H](C[NH3+])CSCCC(=O)Nc1cccc(F)c1 ZINC000090349685 179971417 /nfs/dbraw/zinc/97/14/17/179971417.db2.gz RBGYKCWUUBWPAL-JTQLQIEISA-N 1 0 270.373 2.482 10 0 CEAERO C[C@@H](C[NH3+])CSCC(=O)Nc1ccc2c(c1)CCC2 ZINC000090349546 179971504 /nfs/dbraw/zinc/97/15/04/179971504.db2.gz MMVKISPZFKFLGQ-NSHDSACASA-N 1 0 278.421 2.442 10 0 CEAERO C[C@H]1C[NH2+][C@@H](c2ccc3c(c2)OCO3)CSC1 ZINC000090351665 179972643 /nfs/dbraw/zinc/97/26/43/179972643.db2.gz GRHNGYVRAXVTFZ-GXSJLCMTSA-N 1 0 251.351 2.429 10 0 CEAERO C[C@H](CC[NH3+])SCC(=O)N[C@@H](C)c1ccccc1 ZINC000090354637 179973460 /nfs/dbraw/zinc/97/34/60/179973460.db2.gz MQKDZSKUWAPHKU-NEPJUHHUSA-N 1 0 266.410 2.334 10 0 CEAERO C[C@H](CC[NH3+])SCC(=O)Nc1cc(F)cc(F)c1 ZINC000090355201 179974250 /nfs/dbraw/zinc/97/42/50/179974250.db2.gz YKJAQKLSEHFZKF-MRVPVSSYSA-N 1 0 274.336 2.374 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)N(C)C1CCCCCC1 ZINC000090540666 180000156 /nfs/dbraw/zinc/00/01/56/180000156.db2.gz JHBQTPGDHAJURK-CABCVRRESA-N 1 0 282.428 2.182 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)N[C@@H](CC)C1CCCCC1 ZINC000090544682 180001114 /nfs/dbraw/zinc/00/11/14/180001114.db2.gz APKYGKMELTZWNX-OWCLPIDISA-N 1 0 296.455 2.476 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N1CCC(CC)(CC)CC1 ZINC000090545166 180001193 /nfs/dbraw/zinc/00/11/93/180001193.db2.gz FHSYTBYUIAITPP-LSDHHAIUSA-N 1 0 296.455 2.430 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N[C@@H](C)c1cccc(F)c1 ZINC000090543294 180001245 /nfs/dbraw/zinc/00/12/45/180001245.db2.gz YFGFREJHEPFSHP-TUKIKUTGSA-N 1 0 294.370 2.018 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1CN(CC(F)(F)F)C1CC1 ZINC000090566608 180006722 /nfs/dbraw/zinc/00/67/22/180006722.db2.gz SVJRWAVBXGYITQ-ZYHUDNBSSA-N 1 0 280.334 2.028 10 0 CEAERO CC(C)n1c2cc(F)ccc2nc1[C@]1(C)COC[C@@H]1[NH3+] ZINC000090571860 180008037 /nfs/dbraw/zinc/00/80/37/180008037.db2.gz WDIYZMDNAZXBJQ-DZGCQCFKSA-N 1 0 277.343 2.372 10 0 CEAERO CN(Cc1ccc(Cl)s1)C[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090606790 180011478 /nfs/dbraw/zinc/01/14/78/180011478.db2.gz QPCIBYAHATZJQX-JQWIXIFHSA-N 1 0 274.817 2.197 10 0 CEAERO CCN(C[C@]1(C)COC[C@@H]1[NH3+])c1ccccc1F ZINC000090620771 180013925 /nfs/dbraw/zinc/01/39/25/180013925.db2.gz JKSWZLXANWSWCZ-UONOGXRCSA-N 1 0 252.333 2.016 10 0 CEAERO COC(C[C@H](C[NH3+])N1CCC(C(C)(C)C)CC1)OC ZINC000090625291 180015703 /nfs/dbraw/zinc/01/57/03/180015703.db2.gz VUACCEHJCFGUAH-CYBMUJFWSA-N 1 0 272.433 2.081 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)CCO[C@H](C)C(F)(F)F ZINC000090676041 180022524 /nfs/dbraw/zinc/02/25/24/180022524.db2.gz AGYWMGQGCRVKKI-NXEZZACHSA-N 1 0 257.296 2.093 10 0 CEAERO C[NH+](C)C[C@H]1CSCCCN1C(=O)C1CCCCC1 ZINC000090699767 180027710 /nfs/dbraw/zinc/02/77/10/180027710.db2.gz ZZGMQCZPXSRHSN-AWEZNQCLSA-N 1 0 284.469 2.462 10 0 CEAERO C[NH+](C)C[C@@H]1CSCCCN1C(=O)c1ccccc1 ZINC000090699802 180027763 /nfs/dbraw/zinc/02/77/63/180027763.db2.gz QGPHDDXYEFFUGP-CQSZACIVSA-N 1 0 278.421 2.196 10 0 CEAERO CC(C)C(=O)N1CCCSC[C@@H]1C[NH+]1CCCC1 ZINC000090700520 180027774 /nfs/dbraw/zinc/02/77/74/180027774.db2.gz RKSGULODCOWRRD-ZDUSSCGKSA-N 1 0 270.442 2.072 10 0 CEAERO COC(=O)c1cc(OC[C@H]2CCCC[C@H]2C[NH3+])ccn1 ZINC000090739934 180034620 /nfs/dbraw/zinc/03/46/20/180034620.db2.gz XRKNJQNILWIPMG-NWDGAFQWSA-N 1 0 278.352 2.012 10 0 CEAERO CCCOc1cc(N[C@H](C)[C@@H]2CCC[NH2+]C2)ncn1 ZINC000090785148 180039890 /nfs/dbraw/zinc/03/98/90/180039890.db2.gz UCVDPDCTOUWWFS-VXGBXAGGSA-N 1 0 264.373 2.065 10 0 CEAERO CC(C)Oc1cc(NCC[C@@H]2CCC[NH2+]C2)ncn1 ZINC000090786126 180040304 /nfs/dbraw/zinc/04/03/04/180040304.db2.gz YBGSKWWKPWJFMZ-LBPRGKRZSA-N 1 0 264.373 2.065 10 0 CEAERO CC(C)Oc1cc(OCC[C@H]2CCCC[NH2+]2)ncn1 ZINC000090786324 180040587 /nfs/dbraw/zinc/04/05/87/180040587.db2.gz RHOWKEPEBZADCX-GFCCVEGCSA-N 1 0 265.357 2.175 10 0 CEAERO [NH3+]Cc1nc(-c2nc(Cc3ccccc3F)no2)cs1 ZINC000090933529 180066808 /nfs/dbraw/zinc/06/68/08/180066808.db2.gz SANGCEROUBEGLQ-UHFFFAOYSA-N 1 0 290.323 2.382 10 0 CEAERO CCOc1ncnc(Nc2ccccc2C[NH3+])c1C ZINC000090790136 180041740 /nfs/dbraw/zinc/04/17/40/180041740.db2.gz SFDLEPNXYNWFDI-UHFFFAOYSA-N 1 0 258.325 2.386 10 0 CEAERO CCOc1ncnc(N(C)c2ccc(C[NH3+])cc2)c1C ZINC000090789519 180042219 /nfs/dbraw/zinc/04/22/19/180042219.db2.gz AHWCWBIQTTWUCT-UHFFFAOYSA-N 1 0 272.352 2.410 10 0 CEAERO C[NH2+][C@@H]1C[C@@H](Oc2cc(OC)cc(OC)c2)C1(C)C ZINC000090861679 180047190 /nfs/dbraw/zinc/04/71/90/180047190.db2.gz YEVAVWGJNIJMJZ-ZIAGYGMSSA-N 1 0 265.353 2.469 10 0 CEAERO CCC1(CC)[C@H]([NH3+])C[C@H]1Oc1ccc(S(C)(=O)=O)cc1 ZINC000090861989 180047408 /nfs/dbraw/zinc/04/74/08/180047408.db2.gz OUEMVTFGNWPLNY-ZIAGYGMSSA-N 1 0 297.420 2.375 10 0 CEAERO C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1c1snc2ccccc21 ZINC000090869485 180048929 /nfs/dbraw/zinc/04/89/29/180048929.db2.gz GAPOXOUIRLWILR-FOGDFJRCSA-N 1 0 259.378 2.340 10 0 CEAERO CC[NH2+]Cc1cccc(S[C@H](C)C(=O)NC)c1 ZINC000090871185 180048986 /nfs/dbraw/zinc/04/89/86/180048986.db2.gz ODMLQPPJNCTZSJ-SNVBAGLBSA-N 1 0 252.383 2.023 10 0 CEAERO CCC[NH2+]Cc1cccc(S[C@H](C)C(=O)NC)c1 ZINC000090871546 180049619 /nfs/dbraw/zinc/04/96/19/180049619.db2.gz GOLARWZITJFUEU-LLVKDONJSA-N 1 0 266.410 2.413 10 0 CEAERO CN(CC[NH2+]C(C)(C)C)C[C@@H]1Cc2ccccc2O1 ZINC000090875396 180050684 /nfs/dbraw/zinc/05/06/84/180050684.db2.gz MOYMJUYWNWOHAL-AWEZNQCLSA-N 1 0 262.397 2.310 10 0 CEAERO Cc1cccc(C[NH2+]C[C@H]2Cc3ccccc3O2)n1 ZINC000090874543 180051237 /nfs/dbraw/zinc/05/12/37/180051237.db2.gz TUOCRVKACVRSPK-OAHLLOKOSA-N 1 0 254.333 2.483 10 0 CEAERO CN(CC[C@@H]1CCCC[NH2+]1)C[C@@H]1Cc2ccccc2O1 ZINC000090878904 180051610 /nfs/dbraw/zinc/05/16/10/180051610.db2.gz NHUNDBYEODSTGO-HOTGVXAUSA-N 1 0 274.408 2.454 10 0 CEAERO CCC[C@@H]1C[NH2+]CCN1C[C@@H]1Cc2ccccc2O1 ZINC000090878250 180051794 /nfs/dbraw/zinc/05/17/94/180051794.db2.gz WYDLHNDDRQJBKY-CABCVRRESA-N 1 0 260.381 2.064 10 0 CEAERO c1cn(C[C@@H]2Cc3ccccc3O2)c(C[NH2+]C2CC2)n1 ZINC000090876355 180052213 /nfs/dbraw/zinc/05/22/13/180052213.db2.gz YYSPVBPBKBIJCW-AWEZNQCLSA-N 1 0 269.348 2.139 10 0 CEAERO [NH3+]C[C@]1(C[C@H]2Cc3ccccc3O2)CCCC[C@@H]1O ZINC000090878520 180052242 /nfs/dbraw/zinc/05/22/42/180052242.db2.gz DEECVBUNQQSCPX-VNQPRFMTSA-N 1 0 261.365 2.260 10 0 CEAERO [NH3+]Cc1nn(C[C@H]2Cc3ccccc3O2)c2ccccc12 ZINC000090877722 180052425 /nfs/dbraw/zinc/05/24/25/180052425.db2.gz KGLQGZFKKKALAL-CYBMUJFWSA-N 1 0 279.343 2.499 10 0 CEAERO Fc1ccc2c(c1)C[C@@H](C[NH2+]C[C@@H]1CCCOC1)O2 ZINC000090892262 180054359 /nfs/dbraw/zinc/05/43/59/180054359.db2.gz WACCTGBMTPSSEY-FZMZJTMJSA-N 1 0 265.328 2.145 10 0 CEAERO CCN(CC)C[C@@H](C)[NH2+]C[C@H]1Cc2cc(F)ccc2O1 ZINC000090892629 180054814 /nfs/dbraw/zinc/05/48/14/180054814.db2.gz WUALJWPECDEEDY-IUODEOHRSA-N 1 0 280.387 2.449 10 0 CEAERO C[NH2+]C[C@@]1(C[C@@H]2Cc3cc(F)ccc3O2)CCOC1 ZINC000090895176 180055834 /nfs/dbraw/zinc/05/58/34/180055834.db2.gz WFKQEGYTPQGXGQ-ZFWWWQNUSA-N 1 0 265.328 2.145 10 0 CEAERO C[NH2+]CC1CC(OC[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090893749 180056208 /nfs/dbraw/zinc/05/62/08/180056208.db2.gz JUEVSZFYCLWKHT-DBRPNBKGSA-N 1 0 265.328 2.144 10 0 CEAERO CC[C@@H](C)NC(=O)CC[NH2+]C[C@H]1Cc2cc(C)ccc2O1 ZINC000090897486 180056754 /nfs/dbraw/zinc/05/67/54/180056754.db2.gz LZFAVOFCIUGSPO-UKRRQHHQSA-N 1 0 290.407 2.193 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](C[NH2+]C[C@@H]1CCCCN1C)O2 ZINC000090897795 180056986 /nfs/dbraw/zinc/05/69/86/180056986.db2.gz PIOOAYBJVAQCJE-HOTGVXAUSA-N 1 0 274.408 2.372 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[N@@H+]1CCC[C@@H]1C(N)=S)O2 ZINC000090898438 180057844 /nfs/dbraw/zinc/05/78/44/180057844.db2.gz GSDUJJYRZVWADG-CHWSQXEVSA-N 1 0 276.405 2.049 10 0 CEAERO CCCN(CC[NH2+]C)C[C@H]1Cc2cc(C)ccc2O1 ZINC000090898932 180057919 /nfs/dbraw/zinc/05/79/19/180057919.db2.gz AUIVNMDBZHGCST-OAHLLOKOSA-N 1 0 262.397 2.230 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](CN(CCC(N)=[NH2+])C1CC1)O2 ZINC000090898690 180058443 /nfs/dbraw/zinc/05/84/43/180058443.db2.gz NDUQHSQVSVCKLQ-AWEZNQCLSA-N 1 0 273.380 2.089 10 0 CEAERO CC(C)([NH3+])c1cn(C[C@@H]2Cc3cc(Cl)ccc3O2)nn1 ZINC000090901113 180059135 /nfs/dbraw/zinc/05/91/35/180059135.db2.gz IPGMCXBQHNBHIP-NSHDSACASA-N 1 0 292.770 2.129 10 0 CEAERO CCN(C[C@@H]1Cc2cc(Cl)ccc2O1)[C@@H]1CC[NH2+]C1 ZINC000090900133 180059352 /nfs/dbraw/zinc/05/93/52/180059352.db2.gz PDGGLXVJUPPYCL-KGLIPLIRSA-N 1 0 280.799 2.327 10 0 CEAERO CCN(C)CC[NH2+]C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090904635 180059952 /nfs/dbraw/zinc/05/99/52/180059952.db2.gz KGILMAUTNZFMLX-ZDUSSCGKSA-N 1 0 268.788 2.185 10 0 CEAERO Clc1ccc2c(c1)C[C@H](C[NH2+][C@@H]1CN3CCC1CC3)O2 ZINC000090903389 180059989 /nfs/dbraw/zinc/05/99/89/180059989.db2.gz ZIEWXBMOEXJKOK-HUUCEWRRSA-N 1 0 292.810 2.327 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](CN1C[C@H](C)[NH2+]CC1(C)C)O2 ZINC000090902482 180060366 /nfs/dbraw/zinc/06/03/66/180060366.db2.gz XOUSFSHKEQPONL-ZFWWWQNUSA-N 1 0 274.408 2.371 10 0 CEAERO [NH3+]CCc1nc(-c2nc3c(cccc3F)[nH]2)cs1 ZINC000090934697 180067617 /nfs/dbraw/zinc/06/76/17/180067617.db2.gz LYHKSBYCMOLRIA-UHFFFAOYSA-N 1 0 262.313 2.327 10 0 CEAERO CC[NH2+][C@@H](CN1C[C@H]2CC[C@@H](C1)O2)c1ccc(OC)cc1 ZINC000090906115 180060839 /nfs/dbraw/zinc/06/08/39/180060839.db2.gz FEWLJXJORXMWQT-BBWFWOEESA-N 1 0 290.407 2.209 10 0 CEAERO CCOc1ccccc1[C@@H](CN1C[C@H]2CC[C@@H](C1)O2)[NH2+]C ZINC000090906004 180060982 /nfs/dbraw/zinc/06/09/82/180060982.db2.gz MMDFQTSJVHFOON-IJEWVQPXSA-N 1 0 290.407 2.209 10 0 CEAERO O[C@@H](CN1C[C@H]2CC[C@@H](C1)O2)c1cc2ccccc2o1 ZINC000090906961 180061165 /nfs/dbraw/zinc/06/11/65/180061165.db2.gz CHUHAXFCBXZMEA-MJBXVCDLSA-N 1 0 273.332 2.329 10 0 CEAERO OCC1(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)CCCCCC1 ZINC000090907672 180061554 /nfs/dbraw/zinc/06/15/54/180061554.db2.gz FLPYXXXHSFSDIJ-OKILXGFUSA-N 1 0 253.386 2.183 10 0 CEAERO CCC[NH2+]Cc1cnc(N2C[C@H]3CC[C@@H](C2)O3)s1 ZINC000090908137 180062452 /nfs/dbraw/zinc/06/24/52/180062452.db2.gz LTZURFKRHRATIF-PHIMTYICSA-N 1 0 267.398 2.010 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+][C@H](C)CN1CCCC1 ZINC000090960439 180075486 /nfs/dbraw/zinc/07/54/86/180075486.db2.gz YUGPXYQZNDZCSV-LLVKDONJSA-N 1 0 281.425 2.280 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+][C@H]1CCCC[C@@H]1O ZINC000090960595 180075625 /nfs/dbraw/zinc/07/56/25/180075625.db2.gz JNROMQMIYKCFHY-JQWIXIFHSA-N 1 0 268.382 2.100 10 0 CEAERO COc1ccccc1C[C@@H]([NH2+]Cc1ncn(C)n1)C(C)C ZINC000090969280 180076993 /nfs/dbraw/zinc/07/69/93/180076993.db2.gz YNVGJIBIVJUNTI-CQSZACIVSA-N 1 0 288.395 2.181 10 0 CEAERO CC(=O)Nc1ccccc1C[NH2+]C[C@@H]1CCC[C@H]1CO ZINC000090975355 180078872 /nfs/dbraw/zinc/07/88/72/180078872.db2.gz HCVDNFWMFNJHKM-ZFWWWQNUSA-N 1 0 276.380 2.143 10 0 CEAERO FC(F)(F)COCC[NH2+]C[C@H]1Cc2ccccc21 ZINC000090976772 180079175 /nfs/dbraw/zinc/07/91/75/180079175.db2.gz XJCMRFWFRIUALU-LLVKDONJSA-N 1 0 259.271 2.495 10 0 CEAERO CN(C(=O)[C@H]1Cc2ccccc21)c1ccc(C[NH3+])cc1 ZINC000090982604 180079763 /nfs/dbraw/zinc/07/97/63/180079763.db2.gz CJVHLMHKZGIXLQ-INIZCTEOSA-N 1 0 266.344 2.448 10 0 CEAERO Cn1c2ccc([C@H]([NH3+])[C@@H]3Cc4ccccc43)cc2oc1=O ZINC000090984274 180080012 /nfs/dbraw/zinc/08/00/12/180080012.db2.gz NODCCMGQIFGAEX-CJNGLKHVSA-N 1 0 280.327 2.471 10 0 CEAERO c1ccc2c(c1)C[C@H]2c1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000090986707 180080897 /nfs/dbraw/zinc/08/08/97/180080897.db2.gz JUABMKLOURIUJP-BXUZGUMPSA-N 1 0 269.348 2.300 10 0 CEAERO CCc1cc(C[NH2+]C[C@@H]2Cc3ccccc32)n(C)n1 ZINC000090992165 180081300 /nfs/dbraw/zinc/08/13/00/180081300.db2.gz BZXATLGQPFYDFA-ZDUSSCGKSA-N 1 0 255.365 2.412 10 0 CEAERO Cc1nc2c(n1C[C@@H]1Cc3ccccc31)CC[NH2+]C2 ZINC000090993431 180082142 /nfs/dbraw/zinc/08/21/42/180082142.db2.gz KGAFNUPSPUIMRJ-ZDUSSCGKSA-N 1 0 253.349 2.177 10 0 CEAERO Cc1nc2c(n1C[C@H]1Cc3ccccc31)CC[NH2+]C2 ZINC000090993432 180082389 /nfs/dbraw/zinc/08/23/89/180082389.db2.gz KGAFNUPSPUIMRJ-CYBMUJFWSA-N 1 0 253.349 2.177 10 0 CEAERO CCn1nc(C)c(Br)c1Cn1ccc(C[NH3+])c1 ZINC000090995228 180082864 /nfs/dbraw/zinc/08/28/64/180082864.db2.gz WLHQEQNGBFABCV-UHFFFAOYSA-N 1 0 297.200 2.282 10 0 CEAERO CC(C)Cn1ncnc1Cn1cccc1C[NH2+]C1CC1 ZINC000091001419 180083292 /nfs/dbraw/zinc/08/32/92/180083292.db2.gz QGLPBBTXYRWOCQ-UHFFFAOYSA-N 1 0 273.384 2.036 10 0 CEAERO C[NH2+]Cc1ccn(CC(=O)Nc2ccccc2C)c1 ZINC000091003023 180083818 /nfs/dbraw/zinc/08/38/18/180083818.db2.gz CAYPQSWSMOBUKT-UHFFFAOYSA-N 1 0 257.337 2.155 10 0 CEAERO Cc1nn(C)c(Cn2ccnc2C[NH2+]CC(C)C)c1Cl ZINC000091002777 180083827 /nfs/dbraw/zinc/08/38/27/180083827.db2.gz ZWLOOYFWDBCNPJ-UHFFFAOYSA-N 1 0 295.818 2.372 10 0 CEAERO Cc1nccn1CCn1ccc(C[NH2+]CC(C)C)c1 ZINC000091004382 180084086 /nfs/dbraw/zinc/08/40/86/180084086.db2.gz HWAAVRNHIJCXBO-UHFFFAOYSA-N 1 0 260.385 2.439 10 0 CEAERO CCOC(=O)CCCCCn1ccc(C[NH2+]C)c1 ZINC000091002949 180084108 /nfs/dbraw/zinc/08/41/08/180084108.db2.gz CLMAPCBNNGWSLN-UHFFFAOYSA-N 1 0 252.358 2.331 10 0 CEAERO C[NH2+]Cc1ccn(Cc2ccc(C(=O)OC)cc2)c1 ZINC000091002953 180084206 /nfs/dbraw/zinc/08/42/06/180084206.db2.gz NMLUYBQGPRHCQH-UHFFFAOYSA-N 1 0 258.321 2.042 10 0 CEAERO CC[C@H]([NH3+])Cc1cccn1CCOCC(F)(F)F ZINC000091005657 180084747 /nfs/dbraw/zinc/08/47/47/180084747.db2.gz GFFORSPXRHKZDO-JTQLQIEISA-N 1 0 264.291 2.347 10 0 CEAERO COc1c(C)cnc(Cn2cccc2C[C@H](C)[NH3+])c1C ZINC000091005276 180084834 /nfs/dbraw/zinc/08/48/34/180084834.db2.gz KQNLIPBGIOJTDD-LBPRGKRZSA-N 1 0 273.380 2.447 10 0 CEAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1c[nH]c2ncccc12 ZINC000091018806 180086913 /nfs/dbraw/zinc/08/69/13/180086913.db2.gz YWJRCQFZGPKWHH-BXUZGUMPSA-N 1 0 259.353 2.204 10 0 CEAERO CCC[NH2+]Cc1cn(CCC(=O)NCC)c2ncccc12 ZINC000091020289 180087672 /nfs/dbraw/zinc/08/76/72/180087672.db2.gz PDIUJQDSJCHANO-UHFFFAOYSA-N 1 0 288.395 2.062 10 0 CEAERO COC(=O)CCn1cc(C[NH2+]C(C)C)c2cccnc21 ZINC000091020606 180088178 /nfs/dbraw/zinc/08/81/78/180088178.db2.gz JRZZPRUEZNOKOA-UHFFFAOYSA-N 1 0 275.352 2.097 10 0 CEAERO CCCn1cccc1C[C@@H]([NH3+])CCC(=O)OCC ZINC000091022160 180088596 /nfs/dbraw/zinc/08/85/96/180088596.db2.gz HHVKENSVOKXXMI-LBPRGKRZSA-N 1 0 252.358 2.111 10 0 CEAERO C[C@@H](O)Cn1cc(C[NH2+]C(C)(C)C)c2cccnc21 ZINC000091021062 180088729 /nfs/dbraw/zinc/08/87/29/180088729.db2.gz YNEXKOSNQKVPHZ-LLVKDONJSA-N 1 0 261.369 2.305 10 0 CEAERO C[C@@H](C[NH3+])[C@H](O)c1ccsc1Br ZINC000669377166 539758277 /nfs/dbraw/zinc/75/82/77/539758277.db2.gz IFZCBDZKWFXXCL-FSPLSTOPSA-N 1 0 250.161 2.139 10 0 CEAERO C[C@@H]([NH3+])c1nc(-c2nnc3n2CCCCC3)cs1 ZINC000090936138 180068094 /nfs/dbraw/zinc/06/80/94/180068094.db2.gz LLIULAHDGLJVCI-MRVPVSSYSA-N 1 0 263.370 2.148 10 0 CEAERO CC(C)[NH+](CCNC(=O)c1csc([C@H](C)N)n1)C(C)C ZINC000090945407 180069251 /nfs/dbraw/zinc/06/92/51/180069251.db2.gz NJEQCMSTVTYPRB-NSHDSACASA-N 1 0 298.456 2.011 10 0 CEAERO [NH3+]CCc1nc(C(=O)NCc2cccc(Cl)c2)cs1 ZINC000090946875 180070405 /nfs/dbraw/zinc/07/04/05/180070405.db2.gz UAVLHHSSZQUHCP-UHFFFAOYSA-N 1 0 295.795 2.228 10 0 CEAERO CC(C)n1ccc(C[C@](C[NH3+])(c2ccccc2)[C@H](C)O)n1 ZINC000091327599 180135791 /nfs/dbraw/zinc/13/57/91/180135791.db2.gz HEHKSTOJAIUOFG-WMLDXEAASA-N 1 0 287.407 2.284 10 0 CEAERO COCC[NH2+]C[C@]1(c2ccc3c(c2)OCCO3)CC[C@@H]1C ZINC000091329155 180135981 /nfs/dbraw/zinc/13/59/81/180135981.db2.gz VFDBZUQHADACHJ-SUMWQHHRSA-N 1 0 291.391 2.362 10 0 CEAERO COCC[NH2+]Cc1cnn(CC(C)C)c1C1CC1 ZINC000091336511 180136486 /nfs/dbraw/zinc/13/64/86/180136486.db2.gz VQWZDQQLLLLOEM-UHFFFAOYSA-N 1 0 251.374 2.153 10 0 CEAERO O=C(Nc1cccc(CO)c1)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000091359828 180140721 /nfs/dbraw/zinc/14/07/21/180140721.db2.gz ARZUNBIOJPVPED-KBMXLJTQSA-N 1 0 288.391 2.428 10 0 CEAERO CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)[C@@H](C)COC ZINC000091360042 180141293 /nfs/dbraw/zinc/14/12/93/180141293.db2.gz UEPYEMGKWAZTPM-AJNGGQMLSA-N 1 0 282.428 2.181 10 0 CEAERO COCCN(C[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)[C@@H](C)COC ZINC000091362601 180141490 /nfs/dbraw/zinc/14/14/90/180141490.db2.gz MPWRYVHDBGWMNH-QAETUUGQSA-N 1 0 298.471 2.281 10 0 CEAERO COc1cccc([C@@H](C[NH3+])S[C@H](C)CCO)c1 ZINC000091262194 180116557 /nfs/dbraw/zinc/11/65/57/180116557.db2.gz VYMYZLKPEPXLTH-ZWNOBZJWSA-N 1 0 255.383 2.199 10 0 CEAERO CC(C)n1cncc1CN1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000091273000 180117959 /nfs/dbraw/zinc/11/79/59/180117959.db2.gz MNRLCXVVJZNGJS-OCCSQVGLSA-N 1 0 250.390 2.166 10 0 CEAERO CCCN(Cc1cncn1C(C)C)[C@H]1CC[NH2+]C1 ZINC000091273014 180118174 /nfs/dbraw/zinc/11/81/74/180118174.db2.gz UMRKFKIDISAVBN-ZDUSSCGKSA-N 1 0 250.390 2.038 10 0 CEAERO [NH3+][C@H]1CCCc2nc(-c3cncn3C3CC3)ncc21 ZINC000091274872 180118634 /nfs/dbraw/zinc/11/86/34/180118634.db2.gz QCFREVGYGYOZDR-NSHDSACASA-N 1 0 255.325 2.011 10 0 CEAERO [NH3+]C[C@H](Nc1ccc(F)cc1)c1cncn1C1CC1 ZINC000091276652 180119622 /nfs/dbraw/zinc/11/96/22/180119622.db2.gz AAMXKHSOQZFHEO-ZDUSSCGKSA-N 1 0 260.316 2.469 10 0 CEAERO CC[C@H]1CCCCN1[C@@H](C[NH3+])c1cncn1C1CC1 ZINC000091276220 180119806 /nfs/dbraw/zinc/11/98/06/180119806.db2.gz RVONEDITMSSFNN-JSGCOSHPSA-N 1 0 262.401 2.482 10 0 CEAERO COc1cccc(N(C)[C@@H](C[NH3+])c2cncn2C2CC2)c1 ZINC000091276473 180119831 /nfs/dbraw/zinc/11/98/31/180119831.db2.gz GGRLXQMXQSRSMM-HNNXBMFYSA-N 1 0 286.379 2.363 10 0 CEAERO C[NH2+]CC[C@H]1CCCCN1Cc1cncn1C1CC1 ZINC000091277086 180120082 /nfs/dbraw/zinc/12/00/82/180120082.db2.gz VPVDSUPBJGOYSR-CYBMUJFWSA-N 1 0 262.401 2.182 10 0 CEAERO COc1ccccc1N[C@@H](C[NH3+])c1cncn1C1CC1 ZINC000091276636 180120438 /nfs/dbraw/zinc/12/04/38/180120438.db2.gz YYXZRZMEDYHEJX-ZDUSSCGKSA-N 1 0 272.352 2.339 10 0 CEAERO CC(C)N(CC[C@H]1CSCC[NH2+]1)CC(F)(F)F ZINC000091292178 180123661 /nfs/dbraw/zinc/12/36/61/180123661.db2.gz UHEYDJDGMUDENE-JTQLQIEISA-N 1 0 270.364 2.354 10 0 CEAERO Cc1ccc(C)c([C@H](O)CN2CCC[C@H]([NH+](C)C)C2)c1 ZINC000091432254 180153761 /nfs/dbraw/zinc/15/37/61/180153761.db2.gz RLGVAPMDMLEPEE-DOTOQJQBSA-N 1 0 276.424 2.363 10 0 CEAERO C[C@H](Oc1cncc(C[NH2+]C2CC2)n1)C(F)(F)F ZINC000091435601 180154339 /nfs/dbraw/zinc/15/43/39/180154339.db2.gz GNKBLMXMXICPGU-ZETCQYMHSA-N 1 0 261.247 2.058 10 0 CEAERO OC1CC([NH2+]Cc2nc(-c3ccccc3)cs2)C1 ZINC000091433383 180154591 /nfs/dbraw/zinc/15/45/91/180154591.db2.gz DSYQKAKCWFSTJT-UHFFFAOYSA-N 1 0 260.362 2.423 10 0 CEAERO OC1CC([NH2+][C@H]2CCSc3c(F)cccc32)C1 ZINC000091449507 180158135 /nfs/dbraw/zinc/15/81/35/180158135.db2.gz LDUDXOXDCSCKHS-KWPJZBAWSA-N 1 0 253.342 2.476 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cccc(F)c1)N(C)CC1CC(O)C1 ZINC000091451288 180158847 /nfs/dbraw/zinc/15/88/47/180158847.db2.gz RWKQDSBYUHVWLL-UCSXMVFBSA-N 1 0 280.387 2.307 10 0 CEAERO Cc1ccsc1[C@H]([C@@H](C)[NH3+])N(C)CC1CC(O)C1 ZINC000091462843 180162619 /nfs/dbraw/zinc/16/26/19/180162619.db2.gz ZVWZWXOXNAWALJ-XVSSEFHLSA-N 1 0 268.426 2.148 10 0 CEAERO Cc1cccc([C@H]([C@H](C)[NH3+])N(C)CC2CC(O)C2)c1 ZINC000091464234 180163091 /nfs/dbraw/zinc/16/30/91/180163091.db2.gz AFJQEJWGUNJFOZ-QTISTPMNSA-N 1 0 262.397 2.086 10 0 CEAERO CN(CC1CC(O)C1)[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000091464608 180163339 /nfs/dbraw/zinc/16/33/39/180163339.db2.gz DPGDRGJNNAGWGL-RTBKNWGFSA-N 1 0 274.817 2.104 10 0 CEAERO CCC(CC)n1ccc(C[C@H](O)C[NH2+]CC(C)C)n1 ZINC000091465602 180163761 /nfs/dbraw/zinc/16/37/61/180163761.db2.gz AQOTTWOWZINNTM-HNNXBMFYSA-N 1 0 267.417 2.393 10 0 CEAERO CC[NH2+]CC[C@](C)(O)CCc1ccc2c(c1)CCO2 ZINC000091465357 180163993 /nfs/dbraw/zinc/16/39/93/180163993.db2.gz CDKCWGRWHIQDHD-MRXNPFEDSA-N 1 0 263.381 2.305 10 0 CEAERO CC[NH2+]CC[C@](C)(O)Cc1ccc(OC)c(F)c1 ZINC000091466780 180164311 /nfs/dbraw/zinc/16/43/11/180164311.db2.gz VXXIOKROKAKSLM-AWEZNQCLSA-N 1 0 255.333 2.127 10 0 CEAERO CCC[NH2+]C[C@@H](O)Cc1ccn(C2CCCCC2)n1 ZINC000091467996 180164397 /nfs/dbraw/zinc/16/43/97/180164397.db2.gz JHEGUOSCCDJNOK-HNNXBMFYSA-N 1 0 265.401 2.291 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000091496772 180172789 /nfs/dbraw/zinc/17/27/89/180172789.db2.gz AUUUXJWEZUITJU-QDCKZUPOSA-N 1 0 291.439 2.395 10 0 CEAERO C[N@@H+](Cc1nc2ccccc2s1)CC1CC(O)C1 ZINC000091499351 180173895 /nfs/dbraw/zinc/17/38/95/180173895.db2.gz IJFITMUAZGFOTQ-UHFFFAOYSA-N 1 0 262.378 2.499 10 0 CEAERO Cc1ccc(C[C@@H]([NH3+])c2ccc3c(c2)OCCO3)nc1 ZINC000091385297 180144321 /nfs/dbraw/zinc/14/43/21/180144321.db2.gz GDJMVRYXIFBGRO-CQSZACIVSA-N 1 0 270.332 2.404 10 0 CEAERO Cc1ccccc1C(=O)CN1CCC[C@@H]([NH+](C)C)C1 ZINC000091393755 180145629 /nfs/dbraw/zinc/14/56/29/180145629.db2.gz WRQAZQDBVTUNAH-CQSZACIVSA-N 1 0 260.381 2.204 10 0 CEAERO CCN(CC(C)C)c1cncc(C[NH2+]C(C)C)n1 ZINC000091419148 180150854 /nfs/dbraw/zinc/15/08/54/180150854.db2.gz PXOYORDSXWQPPO-UHFFFAOYSA-N 1 0 250.390 2.457 10 0 CEAERO C[NH2+]Cc1cncc(-n2cnc3cc(C)c(C)cc32)n1 ZINC000091422337 180151282 /nfs/dbraw/zinc/15/12/82/180151282.db2.gz PZRCXJDAGYDHLK-UHFFFAOYSA-N 1 0 267.336 2.152 10 0 CEAERO O[C@@H](C[NH2+]C1CC(O)C1)c1cc(Cl)ccc1Cl ZINC000091424760 180151756 /nfs/dbraw/zinc/15/17/56/180151756.db2.gz HASJRTZOEVTNSI-KWPJZBAWSA-N 1 0 276.163 2.140 10 0 CEAERO c1ccc2c(c1)OCc1sc([C@H]3C[NH2+]CCO3)nc1-2 ZINC000091500825 180174838 /nfs/dbraw/zinc/17/48/38/180174838.db2.gz XQCLYPSBGIWTMK-LLVKDONJSA-N 1 0 274.345 2.363 10 0 CEAERO CCCCCNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000123417128 282673492 /nfs/dbraw/zinc/67/34/92/282673492.db2.gz FZIFLODMWOCFDX-CYBMUJFWSA-N 1 0 257.422 2.452 10 0 CEAERO CCc1cc(C[C@H]([NH3+])C(C)(C)N2CCCCC2)n(C)n1 ZINC000091564525 180193154 /nfs/dbraw/zinc/19/31/54/180193154.db2.gz UVQWADLUJHVZDQ-HNNXBMFYSA-N 1 0 278.444 2.117 10 0 CEAERO CC[NH2+][C@@H](c1cnn(C)c1)C(C)(C)N1CCCCC1 ZINC000091565184 180193307 /nfs/dbraw/zinc/19/33/07/180193307.db2.gz VKJXVNMZIJTDKV-AWEZNQCLSA-N 1 0 264.417 2.335 10 0 CEAERO CC(C)([C@H](O)CCCc1ccccc1)[NH+]1CCOCC1 ZINC000091565735 180193349 /nfs/dbraw/zinc/19/33/49/180193349.db2.gz YXBFOZMQXPANMP-MRXNPFEDSA-N 1 0 277.408 2.481 10 0 CEAERO Cc1ccc([C@H](O)C(C)(C)[NH+]2CCOCC2)c(C)c1 ZINC000091565920 180194056 /nfs/dbraw/zinc/19/40/56/180194056.db2.gz IRKZPJGICLNSGL-HNNXBMFYSA-N 1 0 263.381 2.448 10 0 CEAERO CC(C)([C@H]([NH3+])C[C@@H]1Cc2ccccc21)N1CCOCC1 ZINC000091566149 180194124 /nfs/dbraw/zinc/19/41/24/180194124.db2.gz VCRIUXQGHOWMSC-GOEBONIOSA-N 1 0 274.408 2.155 10 0 CEAERO CC[NH2+][C@@H](C1CCCC1)C(C)(C)N1CCOCC1 ZINC000091566860 180194631 /nfs/dbraw/zinc/19/46/31/180194631.db2.gz WSUFVIRYROCGBY-AWEZNQCLSA-N 1 0 254.418 2.266 10 0 CEAERO CC[NH2+][C@@H](CC1CCC1)C(C)(C)N1CCOCC1 ZINC000091567044 180194833 /nfs/dbraw/zinc/19/48/33/180194833.db2.gz SPCSWWPECCXXLB-AWEZNQCLSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@](C)([C@H](O)Cc1c(Cl)c(C)nn1C)[NH+](C)C ZINC000091569489 180195430 /nfs/dbraw/zinc/19/54/30/180195430.db2.gz AEGPMSAXPWXOKA-DGCLKSJQSA-N 1 0 273.808 2.016 10 0 CEAERO CCC[NH2+][C@H](c1cccnc1N)[C@](C)(CC)N(C)C ZINC000091572279 180196153 /nfs/dbraw/zinc/19/61/53/180196153.db2.gz BZABSHFBYWVNTF-HIFRSBDPSA-N 1 0 264.417 2.435 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@@H](O)CCCS(=O)(=O)CC ZINC000091573318 180196294 /nfs/dbraw/zinc/19/62/94/180196294.db2.gz PFNSQQBKZKSNSZ-KBPBESRZSA-N 1 0 293.473 2.073 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@H](NC)c1cnn(C)c1 ZINC000091599617 180202525 /nfs/dbraw/zinc/20/25/25/180202525.db2.gz UKFSGCVMTOLWKJ-KGLIPLIRSA-N 1 0 252.406 2.191 10 0 CEAERO CCc1cc(C[C@@H](O)[C@](C)(CC)[NH+]2CCCC2)n(C)n1 ZINC000091603017 180202890 /nfs/dbraw/zinc/20/28/90/180202890.db2.gz XFCJGNUPBUYIQL-CVEARBPZSA-N 1 0 279.428 2.150 10 0 CEAERO CC[C@@](C)([C@H](O)Cc1ncnn1C(C)C)[NH+]1CCCC1 ZINC000091602839 180203505 /nfs/dbraw/zinc/20/35/05/180203505.db2.gz DVDYEKGQJRYTQY-HIFRSBDPSA-N 1 0 280.416 2.027 10 0 CEAERO CCn1nccc1[C@@H](NC)[C@](C)(CC)[NH+]1CCCC1 ZINC000091606071 180204008 /nfs/dbraw/zinc/20/40/08/180204008.db2.gz UXUMPPISRYMHOT-CABCVRRESA-N 1 0 264.417 2.428 10 0 CEAERO CC[C@@](C)(C(=O)Cc1cccnc1N)[NH+]1CCCCC1 ZINC000091608181 180204039 /nfs/dbraw/zinc/20/40/39/180204039.db2.gz PJFXVHGAYNFOMX-INIZCTEOSA-N 1 0 275.396 2.430 10 0 CEAERO CCn1ccnc1[C@@H](N)[C@](C)(CC)[NH+]1CCCC1 ZINC000091605574 180204220 /nfs/dbraw/zinc/20/42/20/180204220.db2.gz PMIFCTIWKNGWRY-OCCSQVGLSA-N 1 0 250.390 2.167 10 0 CEAERO CC[C@](C)([C@H](Cc1cccnc1N)[NH2+]C)N1CCCCC1 ZINC000091609748 180204993 /nfs/dbraw/zinc/20/49/93/180204993.db2.gz LHRNBRIKZZXRPL-DOTOQJQBSA-N 1 0 290.455 2.449 10 0 CEAERO CC[C@](C)([C@@H](N)Cc1cccnc1N)[NH+]1CCCCC1 ZINC000091609152 180205098 /nfs/dbraw/zinc/20/50/98/180205098.db2.gz ZLOSACPTEAGMIJ-GOEBONIOSA-N 1 0 276.428 2.188 10 0 CEAERO CC[C@](C)([C@@H](N)c1cccnc1N)[NH+]1CCCCC1 ZINC000091609528 180205121 /nfs/dbraw/zinc/20/51/21/180205121.db2.gz YKCBRLZNOJEJIT-DZGCQCFKSA-N 1 0 262.401 2.318 10 0 CEAERO CC[C@](C)([C@H](O)Cc1cccc(F)c1)[NH+]1CCOCC1 ZINC000091610982 180205923 /nfs/dbraw/zinc/20/59/23/180205923.db2.gz FSWFRXPJNBMBMH-HZPDHXFCSA-N 1 0 281.371 2.230 10 0 CEAERO CC[C@](C)([C@H]([NH3+])c1cc(F)ccc1F)N1CCOCC1 ZINC000091611586 180206320 /nfs/dbraw/zinc/20/63/20/180206320.db2.gz AZLZWSMYNZIUMA-HUUCEWRRSA-N 1 0 284.350 2.466 10 0 CEAERO CC[C@](C)([C@H](CC1CCC1)[NH2+]C)N1CCOCC1 ZINC000091612720 180207105 /nfs/dbraw/zinc/20/71/05/180207105.db2.gz IKDCNCMNVAOOLE-LSDHHAIUSA-N 1 0 254.418 2.266 10 0 CEAERO CC[NH2+][C@@H](CC1CCOCC1)[C@](C)(CC)N1CCOCC1 ZINC000091612799 180207371 /nfs/dbraw/zinc/20/73/71/180207371.db2.gz DNTNBNSRCBXAIQ-IRXDYDNUSA-N 1 0 298.471 2.282 10 0 CEAERO CCC[NH2+][C@H](C1CCOCC1)[C@](C)(CC)N1CCOCC1 ZINC000091613080 180207515 /nfs/dbraw/zinc/20/75/15/180207515.db2.gz SMURHIDRKBUDIZ-SJORKVTESA-N 1 0 298.471 2.282 10 0 CEAERO CC[NH+](CC)C(CC)(CC)[C@H](N)c1cncnc1 ZINC000091615823 180207935 /nfs/dbraw/zinc/20/79/35/180207935.db2.gz BYJGALPHFOZWEU-CYBMUJFWSA-N 1 0 250.390 2.377 10 0 CEAERO O[C@@H](C[NH2+]CC1CC(O)C1)c1cc(Cl)ccc1Cl ZINC000091524895 180179158 /nfs/dbraw/zinc/17/91/58/180179158.db2.gz ABIOEMHOHMXNAD-RHYVWVDMSA-N 1 0 290.190 2.387 10 0 CEAERO CCCn1nccc1[C@@H](O)C(C)(C)[NH+](CC)CC ZINC000091530113 180180515 /nfs/dbraw/zinc/18/05/15/180180515.db2.gz OCTSHLQPSDSRPR-CYBMUJFWSA-N 1 0 253.390 2.447 10 0 CEAERO C[NH2+][C@@H](Cc1ccccc1OC)C(C)(C)N(C)C ZINC000091528849 180180522 /nfs/dbraw/zinc/18/05/22/180180522.db2.gz NAUQSLWGHMJNTA-AWEZNQCLSA-N 1 0 250.386 2.166 10 0 CEAERO CC[NH2+][C@H](Cc1cnccc1N)C(C)(C)N(CC)CC ZINC000091531682 180180661 /nfs/dbraw/zinc/18/06/61/180180661.db2.gz JELLZRXBEUMMPR-OAHLLOKOSA-N 1 0 278.444 2.305 10 0 CEAERO CCCn1ccnc1[C@H](N)C(C)(C)[NH+](CC)CC ZINC000091530542 180180960 /nfs/dbraw/zinc/18/09/60/180180960.db2.gz OLMUNXDXUZLKID-LBPRGKRZSA-N 1 0 252.406 2.413 10 0 CEAERO CCc1cc(C[C@@H]([NH2+]C)C(C)(C)N2CCCC2)n(CC)n1 ZINC000091534706 180182340 /nfs/dbraw/zinc/18/23/40/180182340.db2.gz ZIGPYBOXNFCXLR-MRXNPFEDSA-N 1 0 292.471 2.470 10 0 CEAERO CC[NH2+][C@H](Cc1cc(C)nn1C)C(C)(C)N1CCCC1 ZINC000091535607 180182419 /nfs/dbraw/zinc/18/24/19/180182419.db2.gz TURLUKXJFHENFY-OAHLLOKOSA-N 1 0 278.444 2.124 10 0 CEAERO CCC[NH2+][C@H](c1cncnc1)C(C)(C)N1CCCC1 ZINC000091536146 180182454 /nfs/dbraw/zinc/18/24/54/180182454.db2.gz DEERYJPBWOUVQA-CQSZACIVSA-N 1 0 262.401 2.392 10 0 CEAERO Cc1nc2cc(NC(=O)[C@H]3CC[C@H]([NH3+])C3)ccc2o1 ZINC000091539614 180183052 /nfs/dbraw/zinc/18/30/52/180183052.db2.gz CEDCNEKYTXHFKY-UWVGGRQHSA-N 1 0 259.309 2.202 10 0 CEAERO COc1cc(Cl)c(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1OC ZINC000091541080 180183564 /nfs/dbraw/zinc/18/35/64/180183564.db2.gz LPXARQSWWZQWAW-DTWKUNHWSA-N 1 0 298.770 2.423 10 0 CEAERO CC(C)n1ncc2cc(NC(=O)[C@@H]3CC[C@@H]([NH3+])C3)cnc21 ZINC000091542446 180184366 /nfs/dbraw/zinc/18/43/66/180184366.db2.gz WIHPSBLGGUUMNH-ZYHUDNBSSA-N 1 0 287.367 2.078 10 0 CEAERO Cc1ccnc(Cl)c1NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091543891 180185194 /nfs/dbraw/zinc/18/51/94/180185194.db2.gz ZIPGLRZXRRUAIB-RKDXNWHRSA-N 1 0 253.733 2.109 10 0 CEAERO CC[C@H]([NH2+][C@H]1CC(=O)N(C2CCCCC2)C1=O)C(C)C ZINC000105028341 186038399 /nfs/dbraw/zinc/03/83/99/186038399.db2.gz MGPUNHPBRJSWIM-KBPBESRZSA-N 1 0 280.412 2.471 10 0 CEAERO CCC(CC)([C@@H](O)Cc1ncnn1C(C)C)[NH+]1CCCC1 ZINC000091634429 180210464 /nfs/dbraw/zinc/21/04/64/180210464.db2.gz MBIQTTJKNUSKKZ-AWEZNQCLSA-N 1 0 294.443 2.417 10 0 CEAERO CCc1nn(C)c(C[C@H](N)C2([NH+](C)C)CCCC2)c1Cl ZINC000091637226 180210908 /nfs/dbraw/zinc/21/09/08/180210908.db2.gz MITFOGUEKNDKFC-ZDUSSCGKSA-N 1 0 298.862 2.380 10 0 CEAERO CCCn1ncnc1C[C@@H](O)C1([NH+](CC)CC)CCCC1 ZINC000091638779 180212086 /nfs/dbraw/zinc/21/20/86/180212086.db2.gz XBINRPCNAFCQSH-CQSZACIVSA-N 1 0 294.443 2.246 10 0 CEAERO CCCn1ncnc1C[C@@H]([NH2+]CC)C1(N(C)C)CCCC1 ZINC000091638176 180212146 /nfs/dbraw/zinc/21/21/46/180212146.db2.gz ZQIFQWVPXKNXFS-CQSZACIVSA-N 1 0 293.459 2.083 10 0 CEAERO CCn1cc(C[C@H](O)C2([NH+](CC)CC)CCCC2)cn1 ZINC000091638814 180212291 /nfs/dbraw/zinc/21/22/91/180212291.db2.gz XIMRRTZFWVQNCP-HNNXBMFYSA-N 1 0 279.428 2.461 10 0 CEAERO CC[NH2+][C@H](Cc1cnn(CC)c1)C1(N(C)C)CCCC1 ZINC000091638004 180212303 /nfs/dbraw/zinc/21/23/03/180212303.db2.gz NTBQRYFDXNUYPL-OAHLLOKOSA-N 1 0 278.444 2.298 10 0 CEAERO CCn1cc([C@@H]([NH2+]C)C2(N(C)C)CCCC2)cn1 ZINC000091637804 180212722 /nfs/dbraw/zinc/21/27/22/180212722.db2.gz SXMRGHPWQBRUQI-CYBMUJFWSA-N 1 0 250.390 2.038 10 0 CEAERO CCc1cc(C[C@@H](O)C2([NH+]3CCCC3)CCCC2)n(C)n1 ZINC000091640250 180212873 /nfs/dbraw/zinc/21/28/73/180212873.db2.gz WPOCPEYQDHVVLH-MRXNPFEDSA-N 1 0 291.439 2.295 10 0 CEAERO Cc1cnc(N)c([C@H](N)C2([NH+]3CCCC3)CCCC2)c1 ZINC000091640546 180213294 /nfs/dbraw/zinc/21/32/94/180213294.db2.gz XCXQNMYMQJWUIS-AWEZNQCLSA-N 1 0 274.412 2.381 10 0 CEAERO Nc1ccncc1[C@@H](N)C1([NH+]2CCCC2)CCCC1 ZINC000091640597 180213519 /nfs/dbraw/zinc/21/35/19/180213519.db2.gz FMMXSTHNOABYFF-CQSZACIVSA-N 1 0 260.385 2.072 10 0 CEAERO CN[C@@H](c1cnccc1N)C1([NH+]2CCCC2)CCCC1 ZINC000091640915 180213583 /nfs/dbraw/zinc/21/35/83/180213583.db2.gz SZPOKFIHZZPBQK-HNNXBMFYSA-N 1 0 274.412 2.333 10 0 CEAERO CC(C)CC[C@@H]([NH3+])C1(N2CCOCC2)CCCC1 ZINC000091642831 180213977 /nfs/dbraw/zinc/21/39/77/180213977.db2.gz JOZCYUULHWAMBT-CQSZACIVSA-N 1 0 254.418 2.395 10 0 CEAERO C[NH2+][C@H](C(C)(C)C)C1(N2CCOCC2)CCCC1 ZINC000091643174 180214316 /nfs/dbraw/zinc/21/43/16/180214316.db2.gz REZYSQBZCDCWPS-CYBMUJFWSA-N 1 0 254.418 2.266 10 0 CEAERO CCn1ccnc1[C@H](N)C1([NH+](C)C)CCCCC1 ZINC000091647260 180215276 /nfs/dbraw/zinc/21/52/76/180215276.db2.gz HHVQZXVKKKABRX-LBPRGKRZSA-N 1 0 250.390 2.167 10 0 CEAERO CC1CCC([C@H](N)c2cccnc2N)([NH+](C)C)CC1 ZINC000091649011 180216224 /nfs/dbraw/zinc/21/62/24/180216224.db2.gz LNHMUKFJJVRRCO-GLWUULTISA-N 1 0 262.401 2.174 10 0 CEAERO Cc1ccnc(N)c1[C@H](N)C1([NH+](C)C)CCC(C)CC1 ZINC000091648747 180216299 /nfs/dbraw/zinc/21/62/99/180216299.db2.gz OWZPBRBLTFSQEH-WMEQCIOUSA-N 1 0 276.428 2.483 10 0 CEAERO C[NH2+][C@H](Cc1cnn(C)c1)C1(N(C)C)CCC(C)CC1 ZINC000091649107 180216577 /nfs/dbraw/zinc/21/65/77/180216577.db2.gz ZWSXXXPADDCLPN-OGVSOVDVSA-N 1 0 278.444 2.061 10 0 CEAERO C[NH2+][C@@H](c1cncnc1)C1(N(C)C)CCCCCC1 ZINC000091654410 180217193 /nfs/dbraw/zinc/21/71/93/180217193.db2.gz GRTASPYQWWWTLP-AWEZNQCLSA-N 1 0 262.401 2.392 10 0 CEAERO CCn1cc(C[C@@H](O)C2([NH+](C)C)CCCCCC2)cn1 ZINC000091653808 180217403 /nfs/dbraw/zinc/21/74/03/180217403.db2.gz CVLMGNZCFRXVIB-OAHLLOKOSA-N 1 0 279.428 2.461 10 0 CEAERO C[C@@H]([NH2+][C@H]1CCCc2cccnc21)C(=O)N1CCCCC1 ZINC000091661172 180218675 /nfs/dbraw/zinc/21/86/75/180218675.db2.gz YYWLSDDKPFZQOO-HIFRSBDPSA-N 1 0 287.407 2.450 10 0 CEAERO Nc1cc(Cl)c(F)cc1NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091662885 180219726 /nfs/dbraw/zinc/21/97/26/180219726.db2.gz UAFOTYGXHKUJFD-NXEZZACHSA-N 1 0 299.777 2.336 10 0 CEAERO c1[nH]c2ccccc2c1C[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091662903 180220380 /nfs/dbraw/zinc/22/03/80/180220380.db2.gz BANGPAIGKWKSEC-HUUCEWRRSA-N 1 0 285.391 2.121 10 0 CEAERO CN1CCO[C@H](C[NH2+][C@@H](c2cccs2)C2CC2)C1 ZINC000091667343 180223316 /nfs/dbraw/zinc/22/33/16/180223316.db2.gz ITMHVEQDNICUJO-TZMCWYRMSA-N 1 0 266.410 2.119 10 0 CEAERO CCc1cc(CC(=O)CC[NH+](CC)CC)n(CC)n1 ZINC000091687883 180226136 /nfs/dbraw/zinc/22/61/36/180226136.db2.gz VLSFMSDOVJZKAG-UHFFFAOYSA-N 1 0 265.401 2.309 10 0 CEAERO O=C1CCCC2(CC[NH2+]CC2)N1Cc1ccccc1 ZINC000091692059 180228221 /nfs/dbraw/zinc/22/82/21/180228221.db2.gz WWDDVFHDJPKNPM-UHFFFAOYSA-N 1 0 258.365 2.321 10 0 CEAERO O=C(c1cccc2cnccc21)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091714081 180231448 /nfs/dbraw/zinc/23/14/48/180231448.db2.gz PSZXNYATJZKPPC-CJNGLKHVSA-N 1 0 282.343 2.281 10 0 CEAERO CC[NH2+][C@@H](c1cnc2ccccc2c1)[C@@H]1CN(C)CCO1 ZINC000091718666 180233231 /nfs/dbraw/zinc/23/32/31/180233231.db2.gz IUVUAQWRCYMGGX-IRXDYDNUSA-N 1 0 285.391 2.216 10 0 CEAERO CC[NH2+][C@@H](Cc1cccc(Cl)c1)[C@@H]1CN(C)CCO1 ZINC000091718842 180233347 /nfs/dbraw/zinc/23/33/47/180233347.db2.gz GHHCORXOTNOMKS-GJZGRUSLSA-N 1 0 282.815 2.191 10 0 CEAERO CCCOc1ccc([C@@H]([NH2+]CC)[C@@H]2CN(C)CCO2)cc1 ZINC000091718767 180233423 /nfs/dbraw/zinc/23/34/23/180233423.db2.gz YRLMTSNKKHCLEF-DLBZAZTESA-N 1 0 292.423 2.457 10 0 CEAERO C[NH2+][C@@H](c1cccc2ccccc21)[C@H]1CN(C)CCO1 ZINC000091718116 180233436 /nfs/dbraw/zinc/23/34/36/180233436.db2.gz CBCOUXINSFPOIV-SJORKVTESA-N 1 0 270.376 2.431 10 0 CEAERO CC[NH2+][C@@H](c1cccc(Cl)c1)[C@H]1CN(C)CCO1 ZINC000091718568 180233608 /nfs/dbraw/zinc/23/36/08/180233608.db2.gz AAOHXSYTFPPCBU-KGLIPLIRSA-N 1 0 268.788 2.321 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccc(F)cc1F)CN(C)C ZINC000091720090 180235180 /nfs/dbraw/zinc/23/51/80/180235180.db2.gz JMYDXYYMKJUMFN-ZDUSSCGKSA-N 1 0 256.340 2.437 10 0 CEAERO CCCCCC[C@H]([NH2+]C)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091720887 180236759 /nfs/dbraw/zinc/23/67/59/180236759.db2.gz IJUJVAXUZAYWHK-QLFBSQMISA-N 1 0 254.418 2.408 10 0 CEAERO CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CCOC[C@@H]2O)cc1 ZINC000624235875 350239624 /nfs/dbraw/zinc/23/96/24/350239624.db2.gz RFCIZFXUWXNIOA-MAZHCROVSA-N 1 0 279.380 2.274 10 0 CEAERO CCc1ccc([C@H](C)[NH2+][C@H]2CCOC[C@H]2O)s1 ZINC000624235459 350239769 /nfs/dbraw/zinc/23/97/69/350239769.db2.gz KJGLCQHCDNEXGO-ZMLRMANQSA-N 1 0 255.383 2.111 10 0 CEAERO Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CCOC[C@@H]2O)c1 ZINC000624236671 350240336 /nfs/dbraw/zinc/24/03/36/350240336.db2.gz HRPKKSWSAGNQRL-IMJJTQAJSA-N 1 0 263.381 2.056 10 0 CEAERO CC(C)C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCOC[C@@H]2O)C1 ZINC000624238273 350241264 /nfs/dbraw/zinc/24/12/64/350241264.db2.gz NUIPSLKHJXZGDY-XQLPTFJDSA-N 1 0 255.402 2.331 10 0 CEAERO C[NH2+][C@H](c1csc(C)c1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721419 180238390 /nfs/dbraw/zinc/23/83/90/180238390.db2.gz VVMMUWKKKZQPGK-MGPQQGTHSA-N 1 0 266.410 2.180 10 0 CEAERO CCc1ccc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)o1 ZINC000091762789 180248257 /nfs/dbraw/zinc/24/82/57/180248257.db2.gz BJKXAEDDLGDDNJ-WDEREUQCSA-N 1 0 250.342 2.041 10 0 CEAERO CCc1ccc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)o1 ZINC000091762784 180248270 /nfs/dbraw/zinc/24/82/70/180248270.db2.gz BJKXAEDDLGDDNJ-GHMZBOCLSA-N 1 0 250.342 2.041 10 0 CEAERO CCc1ccc(C(=O)N2CCCC[C@H]2CC[NH2+]C)o1 ZINC000091762830 180248331 /nfs/dbraw/zinc/24/83/31/180248331.db2.gz RZCOBIAGMWWBNG-LBPRGKRZSA-N 1 0 264.369 2.446 10 0 CEAERO CCc1ccc(C(=O)NC[C@@H]2CCCC[C@@H]2[NH3+])o1 ZINC000091777329 180251615 /nfs/dbraw/zinc/25/16/15/180251615.db2.gz YZWJRAODRRNNHE-JQWIXIFHSA-N 1 0 250.342 2.089 10 0 CEAERO CCc1ccc(C(=O)N[C@H](C[NH3+])c2ccccc2)o1 ZINC000091777292 180251793 /nfs/dbraw/zinc/25/17/93/180251793.db2.gz QENYVYHPSFTESV-CYBMUJFWSA-N 1 0 258.321 2.272 10 0 CEAERO CCC[NH2+][C@H]([C@H]1CN2CCC[C@@H]2CO1)C(C)(C)C ZINC000091722163 180240382 /nfs/dbraw/zinc/24/03/82/180240382.db2.gz WGFXBSIQLGWPNR-MGPQQGTHSA-N 1 0 254.418 2.264 10 0 CEAERO CCC[NH2+][C@@H](C)[C@H](CC)c1nc(CN(C)C)no1 ZINC000091747621 180244915 /nfs/dbraw/zinc/24/49/15/180244915.db2.gz ZUOGPOYIGQYXQY-QWRGUYRKSA-N 1 0 254.378 2.013 10 0 CEAERO CCCN(C(=O)C[C@@H]1CCCO1)C1CCC([NH3+])CC1 ZINC000091852036 180273165 /nfs/dbraw/zinc/27/31/65/180273165.db2.gz FTCIIBFRZBZDFW-RUXDESIVSA-N 1 0 268.401 2.064 10 0 CEAERO CC[NH2+][C@@H](C)c1ccn(CC(=O)N[C@H](C)C(C)C)c1 ZINC000091805175 180259843 /nfs/dbraw/zinc/25/98/43/180259843.db2.gz XCTZUYOGGGDGND-OLZOCXBDSA-N 1 0 265.401 2.319 10 0 CEAERO Cc1nn(C)c(Cn2ccc([C@H](C)[NH3+])c2)c1Br ZINC000091803600 180259882 /nfs/dbraw/zinc/25/98/82/180259882.db2.gz OZFJASFLWXEHMR-QMMMGPOBSA-N 1 0 297.200 2.361 10 0 CEAERO C[NH2+][C@@H](C)c1ccn(Cc2nccn2C(F)F)c1 ZINC000091804665 180259962 /nfs/dbraw/zinc/25/99/62/180259962.db2.gz ZFSOOTBFEXSQTQ-VIFPVBQESA-N 1 0 254.284 2.408 10 0 CEAERO C[NH2+][C@@H](C)c1ccn(Cc2ncc(Cl)n2C)c1 ZINC000091804228 180259966 /nfs/dbraw/zinc/25/99/66/180259966.db2.gz JEUYTAZRHHQSKH-VIFPVBQESA-N 1 0 252.749 2.204 10 0 CEAERO CCC[NH2+][C@@H](C)c1cccn1CC(=O)NC(C)(C)C ZINC000091802856 180260283 /nfs/dbraw/zinc/26/02/83/180260283.db2.gz IFRGQZUTZYDCPM-LBPRGKRZSA-N 1 0 265.401 2.463 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccn(CCOCCOC)c1 ZINC000091806077 180260488 /nfs/dbraw/zinc/26/04/88/180260488.db2.gz HVEYLHHHFLYJKM-ZDUSSCGKSA-N 1 0 254.374 2.212 10 0 CEAERO CC[C@@H]([NH3+])c1ccn(CCOCC(F)(F)F)c1 ZINC000091816164 180261225 /nfs/dbraw/zinc/26/12/25/180261225.db2.gz COURXOIAGRDHGI-SNVBAGLBSA-N 1 0 250.264 2.477 10 0 CEAERO CC[NH2+][C@H](CC)c1ccn(CCCC(=O)N(C)C)c1 ZINC000091817492 180262901 /nfs/dbraw/zinc/26/29/01/180262901.db2.gz RMQCUABMWWKNKF-CQSZACIVSA-N 1 0 265.401 2.417 10 0 CEAERO CCC[C@H]([NH2+]C)c1ccn(CC(=O)NC(C)(C)C)c1 ZINC000091822173 180263848 /nfs/dbraw/zinc/26/38/48/180263848.db2.gz QVKZTMWPVSPYGK-ZDUSSCGKSA-N 1 0 265.401 2.463 10 0 CEAERO CCC[C@H]([NH2+]C)c1ccn(CC(=O)N[C@H](C)CC)c1 ZINC000091821777 180264004 /nfs/dbraw/zinc/26/40/04/180264004.db2.gz DIMJHXAIJZMFIB-OCCSQVGLSA-N 1 0 265.401 2.463 10 0 CEAERO CCCNC(=O)Cn1ccc([C@H]([NH2+]CC)C(C)C)c1 ZINC000091827413 180264870 /nfs/dbraw/zinc/26/48/70/180264870.db2.gz BMVOEONJFKSUFP-OAHLLOKOSA-N 1 0 265.401 2.321 10 0 CEAERO CCC[NH2+][C@@H](c1ccn(CC(=O)NCC)c1)C(C)C ZINC000091828323 180265002 /nfs/dbraw/zinc/26/50/02/180265002.db2.gz BWSICKTWFGQLMR-OAHLLOKOSA-N 1 0 265.401 2.321 10 0 CEAERO CC(C)[C@H]([NH3+])c1ccn(CCCC(=O)N(C)C)c1 ZINC000091826398 180265080 /nfs/dbraw/zinc/26/50/80/180265080.db2.gz XNLAKVIHTFXMCF-AWEZNQCLSA-N 1 0 251.374 2.012 10 0 CEAERO CC[NH2+][C@H](c1ccn(Cc2ncnn2CC)c1)C(C)C ZINC000091828142 180265129 /nfs/dbraw/zinc/26/51/29/180265129.db2.gz AQXOJRFRVHJNAS-HNNXBMFYSA-N 1 0 275.400 2.454 10 0 CEAERO CC(C)[C@@H](O)c1ccn(C[C@@H]2C[N@@H+](C(C)C)CCO2)c1 ZINC000091825368 180265201 /nfs/dbraw/zinc/26/52/01/180265201.db2.gz IOGUZFIWDOIQTB-HZPDHXFCSA-N 1 0 280.412 2.287 10 0 CEAERO C[NH2+][C@@H](c1ccn(Cc2cc(C)nn2C)c1)C1CC1 ZINC000091836632 180268277 /nfs/dbraw/zinc/26/82/77/180268277.db2.gz VUUVKNMOVYDPDQ-OAHLLOKOSA-N 1 0 258.369 2.249 10 0 CEAERO C[C@H]1CN(C(=O)c2cc3ccc(F)cc3s2)C[C@H]1[NH3+] ZINC000235688299 539787294 /nfs/dbraw/zinc/78/72/94/539787294.db2.gz YXZVBDIZAYJGAQ-GZMMTYOYSA-N 1 0 278.352 2.460 10 0 CEAERO COCC[NH2+]Cc1ncoc1-c1cc(F)ccc1F ZINC000091959424 180292353 /nfs/dbraw/zinc/29/23/53/180292353.db2.gz FRXUJBCDQRDKGB-UHFFFAOYSA-N 1 0 268.263 2.356 10 0 CEAERO CC[NH2+]Cc1ncoc1-c1c(OC)cccc1OC ZINC000091957855 180292478 /nfs/dbraw/zinc/29/24/78/180292478.db2.gz HPXJZLUFZAWGJH-UHFFFAOYSA-N 1 0 262.309 2.468 10 0 CEAERO CC1CCC(C[NH3+])(N(C)C(=O)N2CCCC2)CC1 ZINC000091963087 180293326 /nfs/dbraw/zinc/29/33/26/180293326.db2.gz OULBJMZIYIDBPK-UHFFFAOYSA-N 1 0 253.390 2.042 10 0 CEAERO CCN(CC)C(=O)N(CC)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000091962186 180293415 /nfs/dbraw/zinc/29/34/15/180293415.db2.gz IDKRCXIMBOKQIK-QWHCGFSZSA-N 1 0 255.406 2.288 10 0 CEAERO [NH3+]CCCN(C(=O)N1CCCCC1)C1CCCC1 ZINC000091969021 180294503 /nfs/dbraw/zinc/29/45/03/180294503.db2.gz IWGYSZPLUCRENY-UHFFFAOYSA-N 1 0 253.390 2.186 10 0 CEAERO C[C@@](O)(c1ccc2c(c1)CCCC2)[C@@]1(C[NH3+])CCOC1 ZINC000091907021 180283982 /nfs/dbraw/zinc/28/39/82/180283982.db2.gz UIECQUPEGOZFQR-IAGOWNOFSA-N 1 0 275.392 2.138 10 0 CEAERO CC[C@](C)(C[NH3+])[C@@](C)(O)Cc1ccc(OC)cc1 ZINC000091907665 180283985 /nfs/dbraw/zinc/28/39/85/180283985.db2.gz AKSWMXGMMDSKGM-CABCVRRESA-N 1 0 251.370 2.364 10 0 CEAERO C[C@H]1CC(C)(C)C[C@](O)(C2(C[NH3+])CCOCC2)C1 ZINC000091904860 180284246 /nfs/dbraw/zinc/28/42/46/180284246.db2.gz FFNZPKXFEMPBSY-WFASDCNBSA-N 1 0 255.402 2.319 10 0 CEAERO [NH3+]C[C@]1([C@H](O)c2ccncc2)CCCc2ccccc21 ZINC000091909582 180284722 /nfs/dbraw/zinc/28/47/22/180284722.db2.gz KXMGMFFPOUTVON-IAGOWNOFSA-N 1 0 268.360 2.348 10 0 CEAERO [NH3+]C[C@@]1([C@H](O)c2ccc(C(F)(F)F)cc2)CCOC1 ZINC000091910552 180285311 /nfs/dbraw/zinc/28/53/11/180285311.db2.gz MJMBLERZLNWOPI-NEPJUHHUSA-N 1 0 275.270 2.104 10 0 CEAERO [NH3+]C[C@@]1([C@H](O)c2ccccc2F)COc2ccccc2C1 ZINC000091910780 180285341 /nfs/dbraw/zinc/28/53/41/180285341.db2.gz ZLCNMJVERRLCOY-IAGOWNOFSA-N 1 0 287.334 2.439 10 0 CEAERO CCN1CCO[C@@H](COc2cccc([C@@H](C)[NH2+]C)c2)C1 ZINC000092051134 180312628 /nfs/dbraw/zinc/31/26/28/180312628.db2.gz HSEQMUJWDNXIJR-CZUORRHYSA-N 1 0 278.396 2.067 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@@H](C)c2cccs2)C1 ZINC000092052140 180312808 /nfs/dbraw/zinc/31/28/08/180312808.db2.gz JOKMTHCMDALDPN-RYUDHWBXSA-N 1 0 254.399 2.119 10 0 CEAERO CC[NH2+][C@H](CC)c1ccccc1OC[C@H]1CN(C)CCO1 ZINC000092054157 180313291 /nfs/dbraw/zinc/31/32/91/180313291.db2.gz CFMZFUPOXKRWKR-GDBMZVCRSA-N 1 0 292.423 2.457 10 0 CEAERO CCN1CCO[C@@H](C[N@H+](CC)C2(CN)CCCCCC2)C1 ZINC000092051571 180313400 /nfs/dbraw/zinc/31/34/00/180313400.db2.gz PHDILQDKWXYKSO-MRXNPFEDSA-N 1 0 297.487 2.081 10 0 CEAERO CN1CCO[C@@H](COc2ccc(C[NH2+]C(C)(C)C)cc2)C1 ZINC000092054499 180314152 /nfs/dbraw/zinc/31/41/52/180314152.db2.gz NXVZDLKPORGERF-MRXNPFEDSA-N 1 0 292.423 2.284 10 0 CEAERO CC[NH+](CC)c1ccc(NC[C@H]2CN(C)CCO2)cc1 ZINC000092055902 180314577 /nfs/dbraw/zinc/31/45/77/180314577.db2.gz PNGCAVGNNXJUGY-INIZCTEOSA-N 1 0 277.412 2.275 10 0 CEAERO CN(C(=O)N1CCCCCC1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000091971701 180295418 /nfs/dbraw/zinc/29/54/18/180295418.db2.gz RZNKMTFDICXSSH-CHWSQXEVSA-N 1 0 253.390 2.042 10 0 CEAERO [NH3+]C[C@@H](Cc1ccccc1)NC(=O)N1CCCCCC1 ZINC000091971942 180295518 /nfs/dbraw/zinc/29/55/18/180295518.db2.gz SSIZPEHYHOGTIS-OAHLLOKOSA-N 1 0 275.396 2.142 10 0 CEAERO NC(=[NH2+])c1cccc(CNC(=O)N2CCCCCC2)c1 ZINC000091971978 180295693 /nfs/dbraw/zinc/29/56/93/180295693.db2.gz LLSQCYJFKWVAOZ-UHFFFAOYSA-N 1 0 274.368 2.056 10 0 CEAERO C[C@@H]1CCCN(C(=O)N[C@H](C[NH3+])c2ccccc2)C1 ZINC000091972831 180295959 /nfs/dbraw/zinc/29/59/59/180295959.db2.gz DQGCNFSYFABYFK-TZMCWYRMSA-N 1 0 261.369 2.128 10 0 CEAERO CCN(C)C(=O)N(CC)[C@@]1(C[NH3+])CCC[C@H](C)C1 ZINC000091972877 180296053 /nfs/dbraw/zinc/29/60/53/180296053.db2.gz MRNGVDYBWQKXDX-JSGCOSHPSA-N 1 0 255.406 2.288 10 0 CEAERO C[C@H]1CCCN(C(=O)N[C@@H](C[NH3+])c2ccccc2)C1 ZINC000091972830 180296312 /nfs/dbraw/zinc/29/63/12/180296312.db2.gz DQGCNFSYFABYFK-JSGCOSHPSA-N 1 0 261.369 2.128 10 0 CEAERO CCN(C(=O)N1CCC(C)CC1)C1CCC([NH3+])CC1 ZINC000091991690 180299882 /nfs/dbraw/zinc/29/98/82/180299882.db2.gz JRCWGQMFJISYDH-UHFFFAOYSA-N 1 0 267.417 2.430 10 0 CEAERO CCCCCNC(=O)[C@@H](C)Oc1ccc(C)nc1C[NH2+]C ZINC000091994459 180300879 /nfs/dbraw/zinc/30/08/79/180300879.db2.gz FXWHVUHFSPZXLH-CYBMUJFWSA-N 1 0 293.411 2.183 10 0 CEAERO Cc1ccc(OC[C@@H]2Cc3ccccc3O2)c(C[NH3+])n1 ZINC000091994014 180300968 /nfs/dbraw/zinc/30/09/68/180300968.db2.gz IEDPGHGNNMTFMB-ZDUSSCGKSA-N 1 0 270.332 2.231 10 0 CEAERO C[NH2+]Cc1nc(C)ccc1OCCc1scnc1C ZINC000091994329 180301505 /nfs/dbraw/zinc/30/15/05/180301505.db2.gz HAFUFHHAZMFUII-UHFFFAOYSA-N 1 0 277.393 2.496 10 0 CEAERO Cc1ccc(OCCCO)c(C[NH2+]C(C)(C)C)n1 ZINC000091996107 180302168 /nfs/dbraw/zinc/30/21/68/180302168.db2.gz RAIOOMDBBLCVDB-UHFFFAOYSA-N 1 0 252.358 2.039 10 0 CEAERO COC[C@@H](C)Oc1ccc(C)nc1C[NH2+]C1CC1 ZINC000091995787 180302382 /nfs/dbraw/zinc/30/23/82/180302382.db2.gz PMDUFLZTGBFZOE-LLVKDONJSA-N 1 0 250.342 2.056 10 0 CEAERO CC[C@@H]([NH3+])Cc1cccc(OC[C@@H]2CN(CC)CCO2)c1 ZINC000092060666 180315432 /nfs/dbraw/zinc/31/54/32/180315432.db2.gz YOOJVCRPVNRIDS-WBVHZDCISA-N 1 0 292.423 2.066 10 0 CEAERO COc1ccccc1COc1ccc(C)nc1CC[NH3+] ZINC000091999621 180303537 /nfs/dbraw/zinc/30/35/37/180303537.db2.gz ALYWDUCCHSWZAW-UHFFFAOYSA-N 1 0 272.348 2.479 10 0 CEAERO COc1ccc(C[NH2+]C[C@H](C)N2CCCC2)cc1F ZINC000092021879 180307834 /nfs/dbraw/zinc/30/78/34/180307834.db2.gz ZBQDALHAKLWNLE-LBPRGKRZSA-N 1 0 266.360 2.408 10 0 CEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N[C@H](C)CC)c(F)c1 ZINC000092115788 180327526 /nfs/dbraw/zinc/32/75/26/180327526.db2.gz QXOPMHMGHWYUCW-SNVBAGLBSA-N 1 0 288.388 2.012 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)N(C)[C@H](C)c1ccccc1OC ZINC000092134390 180332003 /nfs/dbraw/zinc/33/20/03/180332003.db2.gz FLFCIYZWWVKTCY-VXGBXAGGSA-N 1 0 264.369 2.070 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)N(C)[C@@H](C)c1ccccc1OC ZINC000092134388 180332233 /nfs/dbraw/zinc/33/22/33/180332233.db2.gz FLFCIYZWWVKTCY-NEPJUHHUSA-N 1 0 264.369 2.070 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)N(Cc1ccco1)CC(F)(F)F ZINC000092134162 180332288 /nfs/dbraw/zinc/33/22/88/180332288.db2.gz ALOMPSHEUCFIGS-SECBINFHSA-N 1 0 278.274 2.026 10 0 CEAERO CC[NH2+][C@@H](Cc1c(Cl)c(C)nn1C)C(C)(C)OC ZINC000092139313 180333654 /nfs/dbraw/zinc/33/36/54/180333654.db2.gz PSCWUABJITWDNJ-NSHDSACASA-N 1 0 273.808 2.328 10 0 CEAERO Cc1ccc(N2CCC[N@H+](CCOC(C)(C)C)CC2)nn1 ZINC000105801775 186072858 /nfs/dbraw/zinc/07/28/58/186072858.db2.gz NVPQHOLSVDHQAC-UHFFFAOYSA-N 1 0 292.427 2.112 10 0 CEAERO CC[NH2+][C@@H](CC)[C@@H](C)c1nc(C(C)(C)OC)no1 ZINC000092141633 180334362 /nfs/dbraw/zinc/33/43/62/180334362.db2.gz VGLFRRMPOPJGBD-ZJUUUORDSA-N 1 0 255.362 2.443 10 0 CEAERO COc1ccc(NC(=O)CC[N@@H+]2C[C@H](C)[C@H](C)C2)c(N)c1 ZINC000092080439 180318925 /nfs/dbraw/zinc/31/89/25/180318925.db2.gz ZKMYWWYNWQGKHC-TXEJJXNPSA-N 1 0 291.395 2.194 10 0 CEAERO C[C@H]1CN([C@@H](C[NH3+])c2cnn(-c3ccccc3)c2)C[C@H]1C ZINC000092083401 180320109 /nfs/dbraw/zinc/32/01/09/180320109.db2.gz MGCGJBXZOJYSLL-VBQJREDUSA-N 1 0 284.407 2.460 10 0 CEAERO C[C@H]1C[N@H+](CCOc2ccc(C(N)=S)cc2)C[C@H]1C ZINC000092085484 180320176 /nfs/dbraw/zinc/32/01/76/180320176.db2.gz GZKBEYMBTLYGTQ-TXEJJXNPSA-N 1 0 278.421 2.287 10 0 CEAERO COc1ccc(C[NH+]2C[C@@H](C)[C@H](C)C2)cc1C(N)=S ZINC000092085522 180320190 /nfs/dbraw/zinc/32/01/90/180320190.db2.gz PBDLQWYZANHHKY-GHMZBOCLSA-N 1 0 278.421 2.417 10 0 CEAERO CC(C)C[NH2+]Cc1cncc(N2C[C@@H](C)[C@H](C)C2)n1 ZINC000092089050 180321685 /nfs/dbraw/zinc/32/16/85/180321685.db2.gz CJRHJBKKNKNFRL-CHWSQXEVSA-N 1 0 262.401 2.314 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)Nc2cccc3cccnc32)C1 ZINC000092201170 180342639 /nfs/dbraw/zinc/34/26/39/180342639.db2.gz UIALXZRTLFDFPN-NEPJUHHUSA-N 1 0 253.305 2.077 10 0 CEAERO [NH3+]C[C@]1(C[C@H]2COc3ccccc32)CCCC[C@@H]1O ZINC000092307679 180360065 /nfs/dbraw/zinc/36/00/65/180360065.db2.gz BSPCFBZOCQTJFN-VBNZEHGJSA-N 1 0 261.365 2.433 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)N2CCC[C@@H]2c2ccccc2)C1 ZINC000092202047 180343049 /nfs/dbraw/zinc/34/30/49/180343049.db2.gz FXYUVNCAMFYKNT-RRFJBIMHSA-N 1 0 256.349 2.254 10 0 CEAERO CC(=O)Nc1ccc(NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)cc1Cl ZINC000092202892 180343325 /nfs/dbraw/zinc/34/33/25/180343325.db2.gz LWZGHKZWDPQQPC-NXEZZACHSA-N 1 0 293.754 2.140 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)Nc2cccc3c(O)cccc23)C1 ZINC000092203541 180343376 /nfs/dbraw/zinc/34/33/76/180343376.db2.gz DIXAXDFYALQBNQ-QWRGUYRKSA-N 1 0 268.316 2.387 10 0 CEAERO CCOC(=O)Nc1ccc(NC(=O)[C@H]2C=C[C@H]([NH3+])C2)cc1 ZINC000092203079 180343487 /nfs/dbraw/zinc/34/34/87/180343487.db2.gz RIHLNHSZAOHUKX-QWRGUYRKSA-N 1 0 289.335 2.097 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)Nc2ccc(N3CCCC3)c(F)c2)C1 ZINC000092204254 180343656 /nfs/dbraw/zinc/34/36/56/180343656.db2.gz KONBQANDNTUYPU-NEPJUHHUSA-N 1 0 289.354 2.268 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)N(Cc2ccccc2)CC(F)(F)F)C1 ZINC000092204579 180343892 /nfs/dbraw/zinc/34/38/92/180343892.db2.gz CIZNNRLVBPXMAR-STQMWFEESA-N 1 0 298.308 2.481 10 0 CEAERO CC[NH2+]Cc1ccn(C[C@H]2COc3ccccc32)n1 ZINC000092306729 180360115 /nfs/dbraw/zinc/36/01/15/180360115.db2.gz FJDSJSBKYWVNAJ-LBPRGKRZSA-N 1 0 257.337 2.169 10 0 CEAERO CC(C)(C)c1csc(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)n1 ZINC000092206937 180344165 /nfs/dbraw/zinc/34/41/65/180344165.db2.gz UNJOVWWUFUUKHB-DTWKUNHWSA-N 1 0 265.382 2.283 10 0 CEAERO CC[NH2+]Cc1ccn(C[C@@H]2COc3ccccc32)n1 ZINC000092306728 180360180 /nfs/dbraw/zinc/36/01/80/180360180.db2.gz FJDSJSBKYWVNAJ-GFCCVEGCSA-N 1 0 257.337 2.169 10 0 CEAERO C[C@@H]1CC[C@H](C[NH3+])CN1C(=O)[C@@H]1Cc2ccccc2S1 ZINC000092232279 180348333 /nfs/dbraw/zinc/34/83/33/180348333.db2.gz DXVMUXHEUBEJPN-JMSVASOKSA-N 1 0 290.432 2.289 10 0 CEAERO CSc1ccc(C(=O)N2CC[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000092232214 180348600 /nfs/dbraw/zinc/34/86/00/180348600.db2.gz UJNSITZNYCESCN-GXFFZTMASA-N 1 0 264.394 2.218 10 0 CEAERO CCN(C(=O)[C@@H]1CSc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000092239457 180350699 /nfs/dbraw/zinc/35/06/99/180350699.db2.gz ZQKQQOKBEROZPU-GXTWGEPZSA-N 1 0 290.432 2.476 10 0 CEAERO [NH3+]CCc1cnn(C[C@H]2Cc3ccccc3S2)c1 ZINC000092271340 180355503 /nfs/dbraw/zinc/35/55/03/180355503.db2.gz KPQYJPXCUCKOJK-CYBMUJFWSA-N 1 0 259.378 2.101 10 0 CEAERO C[NH2+]Cc1nccn1C[C@H]1CSc2ccccc21 ZINC000092291081 180358091 /nfs/dbraw/zinc/35/80/91/180358091.db2.gz IYJFADNIWLQULZ-NSHDSACASA-N 1 0 259.378 2.492 10 0 CEAERO COc1cc(C[NH2+]C[C@H]2COc3ccccc32)ccn1 ZINC000092300884 180358430 /nfs/dbraw/zinc/35/84/30/180358430.db2.gz WBLUBTOXHXOWAU-ZDUSSCGKSA-N 1 0 270.332 2.356 10 0 CEAERO c1ccc2c(c1)OC[C@@H]2C[NH2+]CCN1CCCCC1 ZINC000092300370 180358456 /nfs/dbraw/zinc/35/84/56/180358456.db2.gz RXXZZROOFLOVKC-AWEZNQCLSA-N 1 0 260.381 2.238 10 0 CEAERO Cc1ccccc1C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000105882581 186082696 /nfs/dbraw/zinc/08/26/96/186082696.db2.gz AOAPEIPBATZXGE-OAHLLOKOSA-N 1 0 270.380 2.499 10 0 CEAERO CCOc1ccccc1C[NH2+]CCn1cc(C)cn1 ZINC000105881313 186083006 /nfs/dbraw/zinc/08/30/06/186083006.db2.gz KSMRNZFUEKMCPW-UHFFFAOYSA-N 1 0 259.353 2.380 10 0 CEAERO CC[C@H]1CN(CCc2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000105826226 186073599 /nfs/dbraw/zinc/07/35/99/186073599.db2.gz LNGOGEFOYITVEX-WBVHZDCISA-N 1 0 276.424 2.006 10 0 CEAERO COc1ccccc1-c1noc([C@@H]2C=C[C@H]([NH3+])C2)n1 ZINC000092181408 180338407 /nfs/dbraw/zinc/33/84/07/180338407.db2.gz RIBULWKYEKPHLK-ZJUUUORDSA-N 1 0 257.293 2.116 10 0 CEAERO Cc1cccc(Cc2noc([C@@H]3C=C[C@@H]([NH3+])C3)n2)c1 ZINC000092181618 180338836 /nfs/dbraw/zinc/33/88/36/180338836.db2.gz DARWXHFREULPHN-CHWSQXEVSA-N 1 0 255.321 2.340 10 0 CEAERO C[C@@H]1C[NH2+][C@H](C2CC2)CN1C[C@@H]1COc2ccccc21 ZINC000092307371 180360609 /nfs/dbraw/zinc/36/06/09/180360609.db2.gz OZTXCZANJRPODE-XPKDYRNWSA-N 1 0 272.392 2.235 10 0 CEAERO CC[NH2+][C@@H](CN1C(=O)C[C@H](C)C1=O)c1ccc(C)c(C)c1 ZINC000105832428 186076307 /nfs/dbraw/zinc/07/63/07/186076307.db2.gz PZLIANWECWDDQJ-ZFWWWQNUSA-N 1 0 288.391 2.349 10 0 CEAERO CC(C)OCC[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886492 186084155 /nfs/dbraw/zinc/08/41/55/186084155.db2.gz NYHOMYFOLWSVEZ-UHFFFAOYSA-N 1 0 251.374 2.020 10 0 CEAERO CC[C@]1(C)C[NH2+]CCN1C[C@@H]1COc2ccccc21 ZINC000092307261 180359995 /nfs/dbraw/zinc/35/99/95/180359995.db2.gz HCYXTPHIFAYMFU-CZUORRHYSA-N 1 0 260.381 2.237 10 0 CEAERO CC(C)CCOCC[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000105909095 186087509 /nfs/dbraw/zinc/08/75/09/186087509.db2.gz KYKRGLTWQMDILM-UHFFFAOYSA-N 1 0 292.427 2.051 10 0 CEAERO CCc1nc2n(n1)C[C@H]([NH2+]Cc1cccc3[nH]ccc31)CC2 ZINC000105907056 186087978 /nfs/dbraw/zinc/08/79/78/186087978.db2.gz PAUXKGOUCMNGFZ-CYBMUJFWSA-N 1 0 295.390 2.426 10 0 CEAERO CN(C/C=C/Cl)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915979 186089394 /nfs/dbraw/zinc/08/93/94/186089394.db2.gz DJYMQKREUIJAMX-QHHAFSJGSA-N 1 0 282.819 2.032 10 0 CEAERO CCO[C@@H](C)c1nc(CC)c(CC[NH2+]C)c(CC)n1 ZINC000092318397 180361572 /nfs/dbraw/zinc/36/15/72/180361572.db2.gz XVANMYIURONZQS-NSHDSACASA-N 1 0 265.401 2.461 10 0 CEAERO CC[NH2+]CCc1c(CC)nc([C@@H]2CCOC2)nc1CC ZINC000092318654 180361826 /nfs/dbraw/zinc/36/18/26/180361826.db2.gz MZXRRKJFNFQYOZ-GFCCVEGCSA-N 1 0 277.412 2.257 10 0 CEAERO CC[NH2+]CCc1c(CC)nc(-c2ccncn2)nc1CC ZINC000092318563 180361892 /nfs/dbraw/zinc/36/18/92/180361892.db2.gz MQTHVEOOKIGGMF-UHFFFAOYSA-N 1 0 285.395 2.210 10 0 CEAERO Cc1nn(-c2ccc(F)cc2F)c(C)c1CC[NH3+] ZINC000092319546 180361979 /nfs/dbraw/zinc/36/19/79/180361979.db2.gz VDABYWZDPGJMEP-UHFFFAOYSA-N 1 0 251.280 2.269 10 0 CEAERO CN(C)[C@H](C[NH2+]C[C@@H]1CCCO1)c1cccs1 ZINC000105946358 186093642 /nfs/dbraw/zinc/09/36/42/186093642.db2.gz DQIONJGHCDOQFV-NWDGAFQWSA-N 1 0 254.399 2.119 10 0 CEAERO Cc1noc(C)c1CNC(=O)[C@@H](C)CCC[C@@H](C)[NH3+] ZINC000092330602 180363922 /nfs/dbraw/zinc/36/39/22/180363922.db2.gz XLAWGPYCRQVWTF-VHSXEESVSA-N 1 0 267.373 2.061 10 0 CEAERO COc1ccccc1[C@H](C[NH3+])NCc1ccccc1 ZINC000106024236 186098693 /nfs/dbraw/zinc/09/86/93/186098693.db2.gz MXMIQMGOWKDSPX-HNNXBMFYSA-N 1 0 256.349 2.485 10 0 CEAERO CCC[C@@]1(C(=O)N[C@@H](C)c2c(C)noc2C)CC[NH2+]C1 ZINC000092329798 180364052 /nfs/dbraw/zinc/36/40/52/180364052.db2.gz MAACNMOPUIYZFP-ZUZCIYMTSA-N 1 0 279.384 2.248 10 0 CEAERO COc1cc2c(cc1F)[nH+]c(N)n2Cc1c(C)noc1C ZINC000092341093 180365982 /nfs/dbraw/zinc/36/59/82/180365982.db2.gz DRJZQXSYBJBPQJ-UHFFFAOYSA-N 1 0 290.298 2.419 10 0 CEAERO CCc1ccc(S(=O)(=O)Nc2cc[nH+]c(C)c2)cc1N ZINC000092348646 180367426 /nfs/dbraw/zinc/36/74/26/180367426.db2.gz ZONUBYDLTHTHII-UHFFFAOYSA-N 1 0 291.376 2.335 10 0 CEAERO CCNc1cccc(CN2CCC[C@@H]2C[NH+](C)C)n1 ZINC000092370290 180370310 /nfs/dbraw/zinc/37/03/10/180370310.db2.gz QJOPRJXFGCFRNC-CQSZACIVSA-N 1 0 262.401 2.039 10 0 CEAERO CNc1cccc(CN2CC[C@H]([NH+]3CCCCC3)C2)n1 ZINC000092370626 180370367 /nfs/dbraw/zinc/37/03/67/180370367.db2.gz VUXUVTJUAQMSOF-HNNXBMFYSA-N 1 0 274.412 2.184 10 0 CEAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CCCCC1 ZINC000106423660 186116187 /nfs/dbraw/zinc/11/61/87/186116187.db2.gz WQALIVORDCUARP-OAHLLOKOSA-N 1 0 260.381 2.172 10 0 CEAERO CC[C@H]1CN(Cc2cccc(C)n2)[C@H](C2CC2)C[NH2+]1 ZINC000092433401 180384288 /nfs/dbraw/zinc/38/42/88/180384288.db2.gz LVGNTMBVZFFMBO-HOCLYGCPSA-N 1 0 259.397 2.352 10 0 CEAERO CCc1nn(C)cc1C[NH2+][C@H](C)c1c(C)nn(C)c1C ZINC000092389472 180375120 /nfs/dbraw/zinc/37/51/20/180375120.db2.gz OCJYKUPZOCBUBJ-SNVBAGLBSA-N 1 0 275.400 2.184 10 0 CEAERO C[NH2+][C@@H]1c2cc(OC)ccc2CC[C@H]1SCCCO ZINC000092390241 180375146 /nfs/dbraw/zinc/37/51/46/180375146.db2.gz JVJLKXRAXNNBPS-HUUCEWRRSA-N 1 0 281.421 2.386 10 0 CEAERO CC[NH2+][C@@H]1c2cc(OC)ccc2CC[C@@H]1[S@](C)=O ZINC000092389011 180375479 /nfs/dbraw/zinc/37/54/79/180375479.db2.gz YIYKRGQIAHTEKA-PMUMKWKESA-N 1 0 267.394 2.039 10 0 CEAERO CC(C)[C@@H](CO)[NH2+]C[C@H]1CSc2ccccc21 ZINC000092395065 180376982 /nfs/dbraw/zinc/37/69/82/180376982.db2.gz SCGNYSKTZSDESH-WCQYABFASA-N 1 0 251.395 2.482 10 0 CEAERO CCCCCNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106453560 186118885 /nfs/dbraw/zinc/11/88/85/186118885.db2.gz BDKRMLIBIRMFBM-OAHLLOKOSA-N 1 0 262.397 2.466 10 0 CEAERO CC(C)[C@@H]1CO[C@@H](c2ccc3c(c2)OCCO3)C[NH2+]1 ZINC000092403379 180378186 /nfs/dbraw/zinc/37/81/86/180378186.db2.gz VSERRWYEDJBIOB-SWLSCSKDSA-N 1 0 263.337 2.143 10 0 CEAERO CCNc1cc[nH+]c(CSCC(=O)OCC)c1 ZINC000092420904 180381910 /nfs/dbraw/zinc/38/19/10/180381910.db2.gz UYBBCXNEAVDNPA-UHFFFAOYSA-N 1 0 254.355 2.310 10 0 CEAERO CNc1cc[nH+]c(Cn2c3ccccc3oc2=O)c1 ZINC000092419582 180382284 /nfs/dbraw/zinc/38/22/84/180382284.db2.gz WAVQPRVHCJIXJM-UHFFFAOYSA-N 1 0 255.277 2.080 10 0 CEAERO CS(=O)(=O)c1ccc(SCc2cc(N)cc[nH+]2)cc1 ZINC000092421018 180382743 /nfs/dbraw/zinc/38/27/43/180382743.db2.gz BBJLNFBEDGCITG-UHFFFAOYSA-N 1 0 294.401 2.360 10 0 CEAERO Cc1cccc(COc2cc3c(cc2C[NH3+])OCO3)n1 ZINC000092427533 180383821 /nfs/dbraw/zinc/38/38/21/180383821.db2.gz GMKGHNCBFYXFDT-UHFFFAOYSA-N 1 0 272.304 2.156 10 0 CEAERO CC[C@@H](C)[NH2+][C@@]1(C(N)=O)CCCc2ccc(OC)cc21 ZINC000092384982 180374154 /nfs/dbraw/zinc/37/41/54/180374154.db2.gz SGECSRPUEOOLJS-BZNIZROVSA-N 1 0 276.380 2.100 10 0 CEAERO C[C@H]1OCC[C@H]1[NH2+]Cc1ccncc1Br ZINC000625446038 350500503 /nfs/dbraw/zinc/50/05/03/350500503.db2.gz WESPQTSWILXOSI-LDYMZIIASA-N 1 0 271.158 2.111 10 0 CEAERO C[C@H](c1nc2c(s1)CCCCC2)N1CC[NH2+]CC1 ZINC000109471925 186255394 /nfs/dbraw/zinc/25/53/94/186255394.db2.gz HOFROXLHXCVTER-LLVKDONJSA-N 1 0 265.426 2.378 10 0 CEAERO CCC[NH2+][C@@H](C)[C@@H](CC)c1nc(-c2ncccn2)no1 ZINC000109505424 186257467 /nfs/dbraw/zinc/25/74/67/186257467.db2.gz XDSAEHKMMHCPKS-WDEREUQCSA-N 1 0 275.356 2.408 10 0 CEAERO CC[C@@H](Cc1nc(-c2ccc(OC)cc2)no1)[NH2+]C ZINC000109503140 186257477 /nfs/dbraw/zinc/25/74/77/186257477.db2.gz XQEPILQYHQMHEO-NSHDSACASA-N 1 0 261.325 2.286 10 0 CEAERO C[NH2+][C@@H](C)CCc1nc(-c2ccccc2OC)no1 ZINC000109503829 186257485 /nfs/dbraw/zinc/25/74/85/186257485.db2.gz NUBDDGLEMMLONS-JTQLQIEISA-N 1 0 261.325 2.286 10 0 CEAERO C[NH2+][C@H](Cc1nc(-c2ncccn2)no1)c1ccccc1 ZINC000109505396 186257621 /nfs/dbraw/zinc/25/76/21/186257621.db2.gz LLXMVYQZTACRQD-GFCCVEGCSA-N 1 0 281.319 2.030 10 0 CEAERO CC[NH2+][C@@H]1CCCC[C@@H]1c1nc(-c2cnccn2)no1 ZINC000109507186 186258225 /nfs/dbraw/zinc/25/82/25/186258225.db2.gz RLRILKIIJCCQJP-WDEREUQCSA-N 1 0 273.340 2.162 10 0 CEAERO CCC[NH2+][C@@H]1CCCC[C@H]1c1nc(CCOC)no1 ZINC000109517109 186258895 /nfs/dbraw/zinc/25/88/95/186258895.db2.gz PSHUXVOXDPFDER-VXGBXAGGSA-N 1 0 267.373 2.284 10 0 CEAERO CCCCOC[C@H](O)C[N@@H+]1CCC(F)(F)C[C@H]1C ZINC000625980899 350619610 /nfs/dbraw/zinc/61/96/10/350619610.db2.gz WSYKOAUQLIRKTQ-VXGBXAGGSA-N 1 0 265.344 2.284 10 0 CEAERO CCNC(=O)c1ccc(N)c(NCCC[NH+](CC)CC)c1 ZINC000109534854 186260908 /nfs/dbraw/zinc/26/09/08/186260908.db2.gz YORQCZHEGPGNAF-UHFFFAOYSA-N 1 0 292.427 2.162 10 0 CEAERO COc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2O)c(OC)c1 ZINC000109554115 186262928 /nfs/dbraw/zinc/26/29/28/186262928.db2.gz UUTYTHBVJQUEMM-HUUCEWRRSA-N 1 0 279.380 2.487 10 0 CEAERO COCCN(c1ccc(F)cc1[C@H](C)[NH3+])[C@@H](C)COC ZINC000109570190 186263423 /nfs/dbraw/zinc/26/34/23/186263423.db2.gz DLRNMQPBBZOXAQ-RYUDHWBXSA-N 1 0 284.375 2.333 10 0 CEAERO COCCCN(C)c1cc(C[NH3+])nc2ccccc21 ZINC000109589568 186265271 /nfs/dbraw/zinc/26/52/71/186265271.db2.gz OSYUAZABDWQISS-UHFFFAOYSA-N 1 0 259.353 2.166 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1C(=S)Nc1ccccc1 ZINC000109671207 186268963 /nfs/dbraw/zinc/26/89/63/186268963.db2.gz RODGVBPYAGZLIP-CYBMUJFWSA-N 1 0 263.410 2.409 10 0 CEAERO COC(=O)c1ccccc1N(C)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000109684734 186269292 /nfs/dbraw/zinc/26/92/92/186269292.db2.gz UEIZWRWFUJVUFR-TZMCWYRMSA-N 1 0 276.380 2.427 10 0 CEAERO Cn1cnnc1CC[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000109422596 186251516 /nfs/dbraw/zinc/25/15/16/186251516.db2.gz OZIBBZPVPSZTPL-OAHLLOKOSA-N 1 0 274.343 2.238 10 0 CEAERO [NH3+]Cc1nnc(SC2CCCCC2)n1C1CC1 ZINC000109405385 186251610 /nfs/dbraw/zinc/25/16/10/186251610.db2.gz QNCKBRDUBWTOKZ-UHFFFAOYSA-N 1 0 252.387 2.497 10 0 CEAERO Cn1cnnc1CC[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000109421955 186251697 /nfs/dbraw/zinc/25/16/97/186251697.db2.gz DHJKYQFKHPRMLU-UHFFFAOYSA-N 1 0 274.343 2.033 10 0 CEAERO CCC[NH2+][C@@]1(c2nc3c(s2)CCC3)CCOC1 ZINC000109432220 186252430 /nfs/dbraw/zinc/25/24/30/186252430.db2.gz IMVALQAKXJTLBX-ZDUSSCGKSA-N 1 0 252.383 2.247 10 0 CEAERO CCc1ccc(CN2CC[NH+]([C@H](C)C(N)=S)CC2)s1 ZINC000109468638 186254404 /nfs/dbraw/zinc/25/44/04/186254404.db2.gz MDRDWXCLWINYSQ-LLVKDONJSA-N 1 0 297.493 2.103 10 0 CEAERO C[C@@H](c1nc(-c2ccccn2)cs1)N1CC[NH2+]CC1 ZINC000109471947 186254628 /nfs/dbraw/zinc/25/46/28/186254628.db2.gz YXESLBWIOYUCIN-NSHDSACASA-N 1 0 274.393 2.171 10 0 CEAERO Cc1ccc(-c2nc([C@@H](C)N3CC[NH2+]CC3)no2)cc1F ZINC000109474014 186254906 /nfs/dbraw/zinc/25/49/06/186254906.db2.gz RJYOEPBSBUSDRK-LLVKDONJSA-N 1 0 290.342 2.150 10 0 CEAERO CC[C@@H](c1nc(C)cc(C(F)(F)F)n1)N1CC[NH2+]CC1 ZINC000109475934 186255094 /nfs/dbraw/zinc/25/50/94/186255094.db2.gz YZPOKGUXZKYQAC-JTQLQIEISA-N 1 0 288.317 2.160 10 0 CEAERO C[C@H]([NH3+])C1CCN(C(=O)c2ccc(Cl)cc2O)CC1 ZINC000110647342 186310155 /nfs/dbraw/zinc/31/01/55/186310155.db2.gz XSIANUWXMBQFFH-VIFPVBQESA-N 1 0 282.771 2.245 10 0 CEAERO COC[C@H](C)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000110438860 186296272 /nfs/dbraw/zinc/29/62/72/186296272.db2.gz KMADSUHAWWOZLP-AWEZNQCLSA-N 1 0 270.417 2.041 10 0 CEAERO CC[NH2+][C@@H](CC)Cc1nc(-c2cccc(C)n2)no1 ZINC000110476051 186297744 /nfs/dbraw/zinc/29/77/44/186297744.db2.gz NNMIJXCFJSLYMC-NSHDSACASA-N 1 0 260.341 2.371 10 0 CEAERO [NH3+]Cc1cc(C(F)(F)F)ccc1O[C@@H]1CCOC1 ZINC000110524725 186300672 /nfs/dbraw/zinc/30/06/72/186300672.db2.gz DTAOHRDOZNCSOO-SNVBAGLBSA-N 1 0 261.243 2.332 10 0 CEAERO CC[NH2+][C@@H](CO[C@@H]1CCOC1)c1ccc(OC)cc1 ZINC000110526233 186301333 /nfs/dbraw/zinc/30/13/33/186301333.db2.gz MLAKGJMUJOADMW-CABCVRRESA-N 1 0 265.353 2.151 10 0 CEAERO CCC[NH2+]Cc1c(C)cc(C)nc1O[C@H]1CCOC1 ZINC000110532413 186301644 /nfs/dbraw/zinc/30/16/44/186301644.db2.gz ZTDNHIUSWDEMJV-ZDUSSCGKSA-N 1 0 264.369 2.366 10 0 CEAERO CCOc1cccc(N(CCC[NH3+])Cc2cccnc2)n1 ZINC000110541546 186302792 /nfs/dbraw/zinc/30/27/92/186302792.db2.gz YXQJUEAJCJPMRA-UHFFFAOYSA-N 1 0 286.379 2.231 10 0 CEAERO COc1ccc(C)cc1C[C@@](C)(O)[C@H]1CCC[NH2+]C1 ZINC000110552011 186303466 /nfs/dbraw/zinc/30/34/66/186303466.db2.gz VRNNXEBTPJAZEE-GOEBONIOSA-N 1 0 263.381 2.297 10 0 CEAERO [NH3+]Cc1ccc(CC(=O)NCCc2cccc(F)c2)cc1 ZINC000110612161 186305326 /nfs/dbraw/zinc/30/53/26/186305326.db2.gz ZAQCIHUBUKCCFX-UHFFFAOYSA-N 1 0 286.350 2.186 10 0 CEAERO C[C@@H]1C[C@@H](C)CN(C(=O)Cc2ccc(C[NH3+])cc2)C1 ZINC000110611739 186305913 /nfs/dbraw/zinc/30/59/13/186305913.db2.gz MNQDELQSGIHKLN-CHWSQXEVSA-N 1 0 260.381 2.192 10 0 CEAERO CCOc1cc(NCCC[NH+](C)C)c(N)cc1F ZINC000110632543 186307647 /nfs/dbraw/zinc/30/76/47/186307647.db2.gz DQFXEFAHTJKBFE-UHFFFAOYSA-N 1 0 255.337 2.170 10 0 CEAERO CCOc1cc(NC[C@H](C)[NH+](C)C)c(N)cc1F ZINC000110634282 186308007 /nfs/dbraw/zinc/30/80/07/186308007.db2.gz DICPJGKVWZNOCQ-VIFPVBQESA-N 1 0 255.337 2.169 10 0 CEAERO CCCn1cc(Cl)cc1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000110794923 186325234 /nfs/dbraw/zinc/32/52/34/186325234.db2.gz SCSJCWHLCIMELQ-NSHDSACASA-N 1 0 283.803 2.281 10 0 CEAERO C[C@H]1CCCN(S(=O)(=O)Cc2ccc(C[NH3+])cc2)CC1 ZINC000110809020 186325922 /nfs/dbraw/zinc/32/59/22/186325922.db2.gz RVWJVBJLTCNSMF-ZDUSSCGKSA-N 1 0 296.436 2.097 10 0 CEAERO C[C@@H]1CCCN(c2nc3c(cc2C(N)=[NH2+])CCC3)CC1 ZINC000110805211 186326112 /nfs/dbraw/zinc/32/61/12/186326112.db2.gz YWUBTRPQWVLEEK-LLVKDONJSA-N 1 0 272.396 2.481 10 0 CEAERO CC[C@@]1(C(=O)N2CCC[C@@H](C)CC2)CCC[NH2+]C1 ZINC000110814935 186326284 /nfs/dbraw/zinc/32/62/84/186326284.db2.gz FFOAPJKAOIVRLR-UKRRQHHQSA-N 1 0 252.402 2.415 10 0 CEAERO C[C@H]1CCCN(c2nc3ccccn3c2C[NH3+])CC1 ZINC000110807694 186326891 /nfs/dbraw/zinc/32/68/91/186326891.db2.gz GKFOLHONVDUIGQ-LBPRGKRZSA-N 1 0 258.369 2.419 10 0 CEAERO COC(=O)[C@@H](CC[N@H+](C)CC1CCCC1)NC(C)C ZINC000110840746 186328735 /nfs/dbraw/zinc/32/87/35/186328735.db2.gz DWUGMZZHIGRCTE-CQSZACIVSA-N 1 0 270.417 2.038 10 0 CEAERO CCc1ccc(C(=O)N(C)[C@@H]2CCC[NH2+]C2)s1 ZINC000110927442 186333288 /nfs/dbraw/zinc/33/32/88/186333288.db2.gz PLRLSKPGBILHGM-SNVBAGLBSA-N 1 0 252.383 2.135 10 0 CEAERO CSc1ccccc1NC(=O)CN(C)[C@@H]1CCC[NH2+]C1 ZINC000110930929 186333384 /nfs/dbraw/zinc/33/33/84/186333384.db2.gz YQLFOBKADBPYOB-GFCCVEGCSA-N 1 0 293.436 2.031 10 0 CEAERO CN(Cc1nnc(-c2ccc(F)cc2)o1)[C@@H]1CCC[NH2+]C1 ZINC000110931476 186333431 /nfs/dbraw/zinc/33/34/31/186333431.db2.gz JUJYYJJQAWLMFP-CYBMUJFWSA-N 1 0 290.342 2.060 10 0 CEAERO CN(Cc1cnn(-c2ccccc2)c1)[C@H]1CCC[NH2+]C1 ZINC000110926076 186333517 /nfs/dbraw/zinc/33/35/17/186333517.db2.gz JCJLHPFIINZLSJ-INIZCTEOSA-N 1 0 270.380 2.056 10 0 CEAERO CCN(C(=O)CSc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000110939584 186334818 /nfs/dbraw/zinc/33/48/18/186334818.db2.gz ZZZNXLJBUAUNAS-ZDUSSCGKSA-N 1 0 278.421 2.379 10 0 CEAERO CCCN(CCC(=O)Nc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000110945433 186335198 /nfs/dbraw/zinc/33/51/98/186335198.db2.gz JPGOHWOTOKHKLJ-MRXNPFEDSA-N 1 0 289.423 2.479 10 0 CEAERO CCN(CC(=O)Nc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC000110944140 186335631 /nfs/dbraw/zinc/33/56/31/186335631.db2.gz CMCFSNIQVIELLX-CQSZACIVSA-N 1 0 295.814 2.352 10 0 CEAERO CCN(Cc1nc(-c2ccsc2)no1)[C@@H]1CCC[NH2+]C1 ZINC000110943540 186335776 /nfs/dbraw/zinc/33/57/76/186335776.db2.gz JDBBSLYWHVKMII-GFCCVEGCSA-N 1 0 292.408 2.372 10 0 CEAERO CCN(Cc1ccc(Cl)nc1)[C@H]1CCC[NH2+]C1 ZINC000110944789 186335807 /nfs/dbraw/zinc/33/58/07/186335807.db2.gz HOLYOBXHKIOTBN-LBPRGKRZSA-N 1 0 253.777 2.309 10 0 CEAERO CC[C@@H]([NH3+])[C@H](C)c1nc(Cc2nc3ccccc3[nH]2)no1 ZINC000110951445 186336346 /nfs/dbraw/zinc/33/63/46/186336346.db2.gz VZVHWGHAOGYLFA-VHSXEESVSA-N 1 0 285.351 2.378 10 0 CEAERO CC(C)[C@@H]([NH3+])Cc1nc(Cc2nc3ccccc3[nH]2)no1 ZINC000110951471 186336602 /nfs/dbraw/zinc/33/66/02/186336602.db2.gz YJXBQAZOEPLBCP-JTQLQIEISA-N 1 0 285.351 2.063 10 0 CEAERO CC[N@H+](Cc1ccsc1C(=O)[O-])C1CC[NH2+]CC1 ZINC000110955683 186336773 /nfs/dbraw/zinc/33/67/73/186336773.db2.gz ULURCYUDXSNFNJ-UHFFFAOYSA-N 1 0 268.382 2.020 10 0 CEAERO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](C)COC)C1 ZINC000110974688 186337376 /nfs/dbraw/zinc/33/73/76/186337376.db2.gz PRHHSMLCYDBALU-UONOGXRCSA-N 1 0 284.444 2.286 10 0 CEAERO CCN([C@H](C)COC)[C@@H](C[NH3+])c1ccc(C)c(F)c1 ZINC000110977644 186338753 /nfs/dbraw/zinc/33/87/53/186338753.db2.gz KJTPVWLAYUYMKR-DOMZBBRYSA-N 1 0 268.376 2.491 10 0 CEAERO [NH3+]Cc1cc2c(nc1Oc1ccccc1CO)CCC2 ZINC000110992337 186339910 /nfs/dbraw/zinc/33/99/10/186339910.db2.gz DMRPCGSYEXEPSB-UHFFFAOYSA-N 1 0 270.332 2.314 10 0 CEAERO CC[C@@H]1CN(C(=O)Cc2c[nH]c3ccccc23)CC[N@@H+]1C ZINC000110767512 186322660 /nfs/dbraw/zinc/32/26/60/186322660.db2.gz AZSPMSXVYQVJTK-CQSZACIVSA-N 1 0 285.391 2.263 10 0 CEAERO CCOc1cc(NCC2CC[NH+](C)CC2)ccc1N ZINC000111054172 186348368 /nfs/dbraw/zinc/34/83/68/186348368.db2.gz FRTLEZKVAXNWEC-UHFFFAOYSA-N 1 0 263.385 2.421 10 0 CEAERO C[C@H]([NH3+])c1ccc(SCCS(C)(=O)=O)c(Cl)c1 ZINC000111005095 186342106 /nfs/dbraw/zinc/34/21/06/186342106.db2.gz ZAGIUCQKXJPKLE-QMMMGPOBSA-N 1 0 293.841 2.496 10 0 CEAERO CC[NH+](CC)[C@@H]1CCN(C(=O)c2c(N)cccc2Cl)C1 ZINC000111012832 186342903 /nfs/dbraw/zinc/34/29/03/186342903.db2.gz SXRJEDBIYFVWCE-LLVKDONJSA-N 1 0 295.814 2.479 10 0 CEAERO O=C1CC[C@@H]([NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CN1 ZINC000111017437 186343803 /nfs/dbraw/zinc/34/38/03/186343803.db2.gz LFXXPOPSMAAMGU-REWJHTLYSA-N 1 0 250.386 2.214 10 0 CEAERO C[N@@H+]1CCC[C@H]1CCOc1ccc(F)cc1C(N)=S ZINC000111034026 186346942 /nfs/dbraw/zinc/34/69/42/186346942.db2.gz LFPRGEUFPDMBJF-NSHDSACASA-N 1 0 282.384 2.323 10 0 CEAERO C[C@@H]1CN([C@@H](C[NH3+])c2cccc(F)c2F)C[C@H](C)O1 ZINC000111038972 186346976 /nfs/dbraw/zinc/34/69/76/186346976.db2.gz RMVDUHRJFMQHFD-CWSCBRNRSA-N 1 0 270.323 2.074 10 0 CEAERO C[N@@H+]1CCC[C@@H](CNc2ccc(F)cc2C(N)=S)C1 ZINC000111032096 186347011 /nfs/dbraw/zinc/34/70/11/186347011.db2.gz OKDWQEKNFQNWAS-JTQLQIEISA-N 1 0 281.400 2.214 10 0 CEAERO CC[NH+](CC)[C@H]1CCN(c2ccc(F)cc2C(N)=S)C1 ZINC000111032871 186347085 /nfs/dbraw/zinc/34/70/85/186347085.db2.gz OFJFVGHEXKFUQA-LBPRGKRZSA-N 1 0 295.427 2.380 10 0 CEAERO Cc1cnccc1NC(=O)[C@H](C[NH3+])Cc1ccccc1 ZINC000111043496 186347441 /nfs/dbraw/zinc/34/74/41/186347441.db2.gz BPCVWRZZNHHNMC-AWEZNQCLSA-N 1 0 269.348 2.146 10 0 CEAERO CCOc1cc(NC[C@@H]2CCC[N@H+](C)C2)ccc1N ZINC000111054190 186348124 /nfs/dbraw/zinc/34/81/24/186348124.db2.gz GNVNYPDFKQIJRH-LBPRGKRZSA-N 1 0 263.385 2.421 10 0 CEAERO COc1ccc(C[N@H+](C)C[C@H]2CCCOC2)cc1N ZINC000111154688 186360546 /nfs/dbraw/zinc/36/05/46/186360546.db2.gz WNOUHEQORYYAKD-CYBMUJFWSA-N 1 0 264.369 2.136 10 0 CEAERO C[NH2+][C@H]1c2ccccc2C[C@@H]1N(C)C[C@@H]1CCCOC1 ZINC000111160795 186362346 /nfs/dbraw/zinc/36/23/46/186362346.db2.gz BRUQOLGZPKGCMP-JQFCIGGWSA-N 1 0 274.408 2.230 10 0 CEAERO COc1ccccc1[C@@H](N)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000111160541 186363220 /nfs/dbraw/zinc/36/32/20/186363220.db2.gz GWLFDLMSHPEVPJ-ZFWWWQNUSA-N 1 0 278.396 2.053 10 0 CEAERO COc1ccc([C@H](O)[C@@H](C)[N@H+](C)CC2CCOCC2)cc1 ZINC000111168826 186363339 /nfs/dbraw/zinc/36/33/39/186363339.db2.gz MHNSRZOCPKPGBN-CXAGYDPISA-N 1 0 293.407 2.476 10 0 CEAERO C[N@@H+](Cc1ccc(C(N)=S)cc1F)CC1CCOCC1 ZINC000111163194 186363568 /nfs/dbraw/zinc/36/35/68/186363568.db2.gz WHKBIMCCBAPTNF-UHFFFAOYSA-N 1 0 296.411 2.318 10 0 CEAERO CCOCCN(CC)c1c(C(N)=[NH2+])cnc2ccccc21 ZINC000111119603 186355214 /nfs/dbraw/zinc/35/52/14/186355214.db2.gz XZEAUALJLGDFFM-UHFFFAOYSA-N 1 0 286.379 2.382 10 0 CEAERO CCOCC[N@H+](CC)C[C@@](C)(CO)c1ccccc1 ZINC000111123264 186355233 /nfs/dbraw/zinc/35/52/33/186355233.db2.gz SKCAVGQTERCJQS-INIZCTEOSA-N 1 0 265.397 2.295 10 0 CEAERO CCC[NH2+]Cc1cc(CN(CC)CCOCC)on1 ZINC000111123666 186355243 /nfs/dbraw/zinc/35/52/43/186355243.db2.gz DVERWILZUBBZJR-UHFFFAOYSA-N 1 0 269.389 2.033 10 0 CEAERO CCOCCN(CC)C[C@@H]([NH2+]C)c1cccc(OC)c1 ZINC000111118301 186355334 /nfs/dbraw/zinc/35/53/34/186355334.db2.gz FHOIHHQTWGBFQV-MRXNPFEDSA-N 1 0 280.412 2.314 10 0 CEAERO CN(CCC[NH+](C)C)c1ccc(N)c2cnccc21 ZINC000111132307 186356290 /nfs/dbraw/zinc/35/62/90/186356290.db2.gz JMNUBONYHPMLLO-UHFFFAOYSA-N 1 0 258.369 2.205 10 0 CEAERO CN(CCC[NH+](C)C)C[C@@H](N)c1cc2ccccc2o1 ZINC000111136739 186357411 /nfs/dbraw/zinc/35/74/11/186357411.db2.gz OHNKOCAKXMTLFS-CQSZACIVSA-N 1 0 275.396 2.316 10 0 CEAERO CC(C)Nc1ccccc1C(=O)N(C)CC[NH+](C)C ZINC000111141528 186359244 /nfs/dbraw/zinc/35/92/44/186359244.db2.gz NOVOXHMTYQLEGN-UHFFFAOYSA-N 1 0 263.385 2.141 10 0 CEAERO CN(CC[C@H](O)c1ccc(Cl)cc1)CC[NH+](C)C ZINC000111148558 186359598 /nfs/dbraw/zinc/35/95/98/186359598.db2.gz TUCVJWKWCNPILD-AWEZNQCLSA-N 1 0 270.804 2.257 10 0 CEAERO C[NH2+]Cc1cc(F)ccc1N(C)C[C@H]1CCCOC1 ZINC000111166907 186364482 /nfs/dbraw/zinc/36/44/82/186364482.db2.gz ZHYFQXLYTODVER-GFCCVEGCSA-N 1 0 266.360 2.408 10 0 CEAERO CN(CC[NH2+]CCC(C)(C)C)CC1CCOCC1 ZINC000111176932 186366004 /nfs/dbraw/zinc/36/60/04/186366004.db2.gz UGHPJSHUMZOASK-UHFFFAOYSA-N 1 0 256.434 2.371 10 0 CEAERO [NH3+][C@H]1CCCCC[C@@H]1NC(=O)[C@@H]1CCOc2ccccc21 ZINC000111189048 186367119 /nfs/dbraw/zinc/36/71/19/186367119.db2.gz QSYHUXXJXDXDJI-ILXRZTDVSA-N 1 0 288.391 2.329 10 0 CEAERO [NH3+][C@@H](c1noc([C@@H]2CCOc3ccccc32)n1)C1CC1 ZINC000111189363 186367296 /nfs/dbraw/zinc/36/72/96/186367296.db2.gz JNKIXDQWYURISZ-DGCLKSJQSA-N 1 0 271.320 2.394 10 0 CEAERO c1cc(-c2nnc(CCC[NH2+]C3CC3)o2)cc2c1COC2 ZINC000111307055 186394735 /nfs/dbraw/zinc/39/47/35/186394735.db2.gz LQVHQWCJVUYAAN-UHFFFAOYSA-N 1 0 285.347 2.451 10 0 CEAERO CN(C)c1nnc(SCCC[C@H]2CCC[NH2+]2)s1 ZINC000111316599 186395731 /nfs/dbraw/zinc/39/57/31/186395731.db2.gz MZFHABBJIHQFTE-SECBINFHSA-N 1 0 272.443 2.228 10 0 CEAERO CCC[C@H](C)[NH2+]CCSc1nnc(N(C)C)s1 ZINC000111317297 186395921 /nfs/dbraw/zinc/39/59/21/186395921.db2.gz MRROMLDINJOFTM-VIFPVBQESA-N 1 0 274.459 2.474 10 0 CEAERO O=c1cc2c(nn1Cc1csc3ccccc13)CC[NH2+]C2 ZINC000111314406 186396284 /nfs/dbraw/zinc/39/62/84/186396284.db2.gz OJZUJHWIGGXWPJ-UHFFFAOYSA-N 1 0 297.383 2.152 10 0 CEAERO CN(C)c1nnc(SCC[C@@H]2CCCC[NH2+]2)s1 ZINC000111316607 186396334 /nfs/dbraw/zinc/39/63/34/186396334.db2.gz GYPKPYAWJOVGGE-VIFPVBQESA-N 1 0 272.443 2.228 10 0 CEAERO CCN(CC(F)(F)F)C[C@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111326214 186398822 /nfs/dbraw/zinc/39/88/22/186398822.db2.gz GKSHRPJJQCSRIN-CYBMUJFWSA-N 1 0 294.361 2.419 10 0 CEAERO CC(C)(C)[NH2+]C[C@@]1(CN2CCOCC2(C)C)CCCOC1 ZINC000111327726 186399635 /nfs/dbraw/zinc/39/96/35/186399635.db2.gz UHUREOLRVGDSJY-QGZVFWFLSA-N 1 0 298.471 2.282 10 0 CEAERO CCC[C@H](C)N(C)C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111243867 186375823 /nfs/dbraw/zinc/37/58/23/186375823.db2.gz KNESPJIXBBBORB-GXSJLCMTSA-N 1 0 266.307 2.175 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000111255805 186378963 /nfs/dbraw/zinc/37/89/63/186378963.db2.gz OAMHBSGDXQSVRV-UWVGGRQHSA-N 1 0 273.336 2.047 10 0 CEAERO COc1cccc(-c2noc([C@H]3C[NH2+]C[C@H]3C)n2)c1 ZINC000111256393 186379557 /nfs/dbraw/zinc/37/95/57/186379557.db2.gz SSXOPLUISSCGCT-SKDRFNHKSA-N 1 0 259.309 2.068 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1ccccc1OC(F)(F)F ZINC000111263169 186380502 /nfs/dbraw/zinc/38/05/02/186380502.db2.gz KOXZNVZRRKHSKB-DTWKUNHWSA-N 1 0 288.269 2.379 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000111263756 186381434 /nfs/dbraw/zinc/38/14/34/186381434.db2.gz XDVLAVUVQWDLGM-CBAPKCEASA-N 1 0 256.708 2.273 10 0 CEAERO Cc1cc(N2CCCC2)ccc1NC(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000111265067 186381481 /nfs/dbraw/zinc/38/14/81/186381481.db2.gz KXOWISRWHAEUAQ-HIFRSBDPSA-N 1 0 287.407 2.389 10 0 CEAERO CCc1ccc([C@@H](C)NC(=O)[C@H]2C[NH2+]C[C@@H]2C)cc1 ZINC000111265157 186382017 /nfs/dbraw/zinc/38/20/17/186382017.db2.gz YKTZAEMEMQDABZ-ZOWXZIJZSA-N 1 0 260.381 2.282 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000111266967 186382326 /nfs/dbraw/zinc/38/23/26/186382326.db2.gz NJSFGXLAKMTVFG-IUODEOHRSA-N 1 0 273.380 2.081 10 0 CEAERO CC(C)[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@@H]1C)c1cccs1 ZINC000111266267 186382490 /nfs/dbraw/zinc/38/24/90/186382490.db2.gz CWSJFXLUVYYIHT-DMDPSCGWSA-N 1 0 266.410 2.417 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000111266899 186383319 /nfs/dbraw/zinc/38/33/19/186383319.db2.gz XTOKHTSCOKEMJE-VPOLOUISSA-N 1 0 278.318 2.079 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000111271404 186383872 /nfs/dbraw/zinc/38/38/72/186383872.db2.gz GDUWVIKIDIHAOJ-BVOGVELGSA-N 1 0 276.424 2.175 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC(c2ccccc2)CC1 ZINC000111268515 186384135 /nfs/dbraw/zinc/38/41/35/186384135.db2.gz BOOBVEPYQRJKSV-CZUORRHYSA-N 1 0 272.392 2.248 10 0 CEAERO C[C@@H](c1cccs1)N(C)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000111269598 186384411 /nfs/dbraw/zinc/38/44/11/186384411.db2.gz FDTIRXRIKXSGJS-OUAUKWLOSA-N 1 0 252.383 2.123 10 0 CEAERO CC(C)c1csc(NC(=O)[C@@H]2C[NH2+]C[C@@H]2C)n1 ZINC000111271854 186384457 /nfs/dbraw/zinc/38/44/57/186384457.db2.gz DTAPSYFXEOSOAD-DTWKUNHWSA-N 1 0 253.371 2.061 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)N(C)Cc1nc2ccccc2s1 ZINC000111268258 186384476 /nfs/dbraw/zinc/38/44/76/186384476.db2.gz QPDJEXGRQDZNJW-QWRGUYRKSA-N 1 0 289.404 2.110 10 0 CEAERO CCCC1CCC(NC(=O)[C@@H]2C[NH2+]C[C@@H]2C)CC1 ZINC000111271883 186385244 /nfs/dbraw/zinc/38/52/44/186385244.db2.gz CSUDMSFISRAUJX-GFJIZPEISA-N 1 0 252.402 2.317 10 0 CEAERO CCN(C(=O)[C@@H]1C[NH2+]C[C@H]1C)c1ccc(F)cc1 ZINC000111272247 186385289 /nfs/dbraw/zinc/38/52/89/186385289.db2.gz BIXITSWDNWWOHD-ZWNOBZJWSA-N 1 0 250.317 2.034 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc2ncccc2c1 ZINC000111272488 186385509 /nfs/dbraw/zinc/38/55/09/186385509.db2.gz LUKGIGLWAQVOOI-GWCFXTLKSA-N 1 0 255.321 2.029 10 0 CEAERO CCN(C(=O)c1ccc(C[NH3+])cn1)c1ccccc1 ZINC000111281077 186387621 /nfs/dbraw/zinc/38/76/21/186387621.db2.gz VEGUQVJQAISFLB-UHFFFAOYSA-N 1 0 255.321 2.207 10 0 CEAERO Cc1ccc(NC(=O)c2ccc(C[NH3+])cn2)cc1F ZINC000111281124 186388970 /nfs/dbraw/zinc/38/89/70/186388970.db2.gz GOPYGDBMPPTXCS-UHFFFAOYSA-N 1 0 259.284 2.240 10 0 CEAERO CCc1c(Cl)ncnc1NC[C@@H]1CC[N@H+](C)C1 ZINC000111296636 186392129 /nfs/dbraw/zinc/39/21/29/186392129.db2.gz ZMGAOJJJCXENJE-VIFPVBQESA-N 1 0 254.765 2.056 10 0 CEAERO C[C@H]([NH3+])Cc1c(-n2ccc(C3CC3)n2)nc2ccccn21 ZINC000111513840 186426114 /nfs/dbraw/zinc/42/61/14/186426114.db2.gz CJMICRZRIQQOLH-NSHDSACASA-N 1 0 281.363 2.287 10 0 CEAERO Cc1cc(C[NH2+]CC(C)C)ccc1Sc1nnnn1C ZINC000111555319 186427958 /nfs/dbraw/zinc/42/79/58/186427958.db2.gz FYMITBSEBSSBLR-UHFFFAOYSA-N 1 0 291.424 2.415 10 0 CEAERO CCC(CC)[C@@H](C)NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111661557 186439456 /nfs/dbraw/zinc/43/94/56/186439456.db2.gz HLGSLQXDBUFEIT-SKDRFNHKSA-N 1 0 280.334 2.469 10 0 CEAERO CCC(CC)NC(=O)CN1CCCC[C@H]1C[NH2+]C(C)C ZINC000111702994 186448215 /nfs/dbraw/zinc/44/82/15/186448215.db2.gz UNBBNHIZYDGTMJ-HNNXBMFYSA-N 1 0 283.460 2.144 10 0 CEAERO C[NH2+][C@H](C)[C@@H]1CCCCN1CC(=O)Nc1cccc(F)c1 ZINC000111710313 186449183 /nfs/dbraw/zinc/44/91/83/186449183.db2.gz FQCNPVWXOGWZQX-DOMZBBRYSA-N 1 0 293.386 2.227 10 0 CEAERO Cc1cccc(C(=O)N[C@H](C[NH3+])Cc2ccccc2)c1 ZINC000111365696 186407167 /nfs/dbraw/zinc/40/71/67/186407167.db2.gz OLQUZGTUCCBOEW-INIZCTEOSA-N 1 0 268.360 2.295 10 0 CEAERO C[C@H]1CCC[C@@](C[NH3+])(Nc2ccccc2S(C)(=O)=O)C1 ZINC000111378884 186409339 /nfs/dbraw/zinc/40/93/39/186409339.db2.gz JRLAHSSNNJTTAD-SWLSCSKDSA-N 1 0 296.436 2.410 10 0 CEAERO C[C@@H]1CCC[C@](C[NH3+])(Nc2ccccc2S(C)(=O)=O)C1 ZINC000111378885 186410067 /nfs/dbraw/zinc/41/00/67/186410067.db2.gz JRLAHSSNNJTTAD-DOMZBBRYSA-N 1 0 296.436 2.410 10 0 CEAERO [NH3+]CCC[C@H]1CCCN1c1ncnc2sccc21 ZINC000111379939 186410201 /nfs/dbraw/zinc/41/02/01/186410201.db2.gz QUDAXPXKTVKPDM-JTQLQIEISA-N 1 0 262.382 2.399 10 0 CEAERO Cc1ncc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)o1 ZINC000628181551 350993369 /nfs/dbraw/zinc/99/33/69/350993369.db2.gz HKVSETTUMHNNTM-JSGCOSHPSA-N 1 0 250.342 2.110 10 0 CEAERO Cc1nc(C)n(C[C@H]2CCCC[N@@H+]2Cc2cccnc2)n1 ZINC000069877711 363010972 /nfs/dbraw/zinc/01/09/72/363010972.db2.gz ZFPXNILDFLPGDO-MRXNPFEDSA-N 1 0 285.395 2.345 10 0 CEAERO CCCN(CC(=O)Nc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000113282203 186568457 /nfs/dbraw/zinc/56/84/57/186568457.db2.gz WERSUZRADGUWIW-OAHLLOKOSA-N 1 0 275.396 2.089 10 0 CEAERO CCN(CC(=O)Nc1cccc(C)c1)[C@H]1CCC[NH2+]C1 ZINC000113281854 186568715 /nfs/dbraw/zinc/56/87/15/186568715.db2.gz WJCXEYDKXOSZAG-HNNXBMFYSA-N 1 0 275.396 2.007 10 0 CEAERO CCc1csc([C@@H]2CCC[N@@H+]([C@@H]3CCN(C)C3=O)C2)n1 ZINC000116275057 186704396 /nfs/dbraw/zinc/70/43/96/186704396.db2.gz GNAYWMCSHLTPPU-DGCLKSJQSA-N 1 0 293.436 2.116 10 0 CEAERO CO[C@@H]1C[NH2+][C@@](C)(c2nc(-c3cccs3)no2)C1 ZINC000629676119 351462738 /nfs/dbraw/zinc/46/27/38/351462738.db2.gz CMHIXZOEXDASRT-QPUJVOFHSA-N 1 0 265.338 2.022 10 0 CEAERO CCCCN(CC(F)(F)F)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000111268984 282763728 /nfs/dbraw/zinc/76/37/28/282763728.db2.gz ZLOCBJZHKQQUIG-NXEZZACHSA-N 1 0 266.307 2.033 10 0 CEAERO COc1cccc(-c2cc(N3CCC[C@H]([NH3+])C3)n[nH]2)c1 ZINC000070460122 363086860 /nfs/dbraw/zinc/08/68/60/363086860.db2.gz ZIIDJLZIZIQMOB-LBPRGKRZSA-N 1 0 272.352 2.013 10 0 CEAERO Cc1ccccc1-c1cc(N2CCC[C@H]([NH3+])C2)n[nH]1 ZINC000070460148 363087182 /nfs/dbraw/zinc/08/71/82/363087182.db2.gz SWCPMTKORDIACB-LBPRGKRZSA-N 1 0 256.353 2.313 10 0 CEAERO [NH3+][C@H]1CCN(c2nccn3nc(-c4cccc(F)c4)cc23)C1 ZINC000070459342 363087460 /nfs/dbraw/zinc/08/74/60/363087460.db2.gz UGKQZQXAKNZFGI-ZDUSSCGKSA-N 1 0 297.337 2.073 10 0 CEAERO CO[C@@H]1CN(CCSc2ccccc2)[C@](C)(C[NH3+])C1 ZINC000630361546 351712208 /nfs/dbraw/zinc/71/22/08/351712208.db2.gz JQNYBDBETMEDTM-ZFWWWQNUSA-N 1 0 280.437 2.217 10 0 CEAERO CO[C@H]1CN(CCCOCc2ccccc2)[C@](C)(C[NH3+])C1 ZINC000630364192 351713077 /nfs/dbraw/zinc/71/30/77/351713077.db2.gz DNHGSJWMQYHJQF-SJORKVTESA-N 1 0 292.423 2.031 10 0 CEAERO CO[C@@H]1CN(C[C@H]2CCCCC2(F)F)[C@@](C)(C[NH3+])C1 ZINC000630363572 351713236 /nfs/dbraw/zinc/71/32/36/351713236.db2.gz BRPRCWUSDYMSML-FRRDWIJNSA-N 1 0 276.371 2.250 10 0 CEAERO CO[C@H]1CN(Cc2ccc(F)cc2Cl)[C@@](C)(C[NH3+])C1 ZINC000630363892 351713355 /nfs/dbraw/zinc/71/33/55/351713355.db2.gz SRSPYTKXTDZAMW-TZMCWYRMSA-N 1 0 286.778 2.417 10 0 CEAERO CO[C@H]1CN(C(=O)c2cccc(Cl)c2C)[C@@](C)(C[NH3+])C1 ZINC000630373629 351715491 /nfs/dbraw/zinc/71/54/91/351715491.db2.gz KSRHKACBOBQSJR-IAQYHMDHSA-N 1 0 296.798 2.227 10 0 CEAERO [NH3+][C@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 ZINC000070458396 363085825 /nfs/dbraw/zinc/08/58/25/363085825.db2.gz KRKYREPTFFPHLS-ZDUSSCGKSA-N 1 0 254.337 2.071 10 0 CEAERO C[C@H]1CC[C@@H](Nc2nccc(C(F)(F)F)n2)C[NH2+]1 ZINC000630533585 351775318 /nfs/dbraw/zinc/77/53/18/351775318.db2.gz DUGZYTFPBFGZES-JGVFFNPUSA-N 1 0 260.263 2.048 10 0 CEAERO C[C@@H]1CC[C@@H](Nc2ccc(Br)cn2)C[NH2+]1 ZINC000630535555 351776170 /nfs/dbraw/zinc/77/61/70/351776170.db2.gz WCTPTJLVIWLAPY-PSASIEDQSA-N 1 0 270.174 2.397 10 0 CEAERO CCc1csc(N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)n1 ZINC000630539186 351777843 /nfs/dbraw/zinc/77/78/43/351777843.db2.gz BHNREQQYUCBSMB-BETUJISGSA-N 1 0 251.399 2.141 10 0 CEAERO CCS(=O)(=O)c1ccc(N2CCCCC[C@H]([NH3+])C2)cc1 ZINC000630549558 351780662 /nfs/dbraw/zinc/78/06/62/351780662.db2.gz KXMUXWSSLFFUGF-ZDUSSCGKSA-N 1 0 296.436 2.188 10 0 CEAERO Cc1cc(Br)cnc1N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000630572743 351788558 /nfs/dbraw/zinc/78/85/58/351788558.db2.gz RYPCHWSLVICHLP-UWVGGRQHSA-N 1 0 284.201 2.184 10 0 CEAERO C[C@@H]1CN(c2ncccc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC000630572748 351788686 /nfs/dbraw/zinc/78/86/86/351788686.db2.gz SARHAQSHRMQUJP-BDAKNGLRSA-N 1 0 259.275 2.131 10 0 CEAERO Cc1cc(C)nc(N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)n1 ZINC000630526906 351773144 /nfs/dbraw/zinc/77/31/44/351773144.db2.gz NSXARAURZZLUJP-MNOVXSKESA-N 1 0 288.317 2.057 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc(F)cn1 ZINC000122295257 187025037 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ZINC000123321764 187085090 /nfs/dbraw/zinc/08/50/90/187085090.db2.gz MUSXTMQECYDMGX-RYUDHWBXSA-N 1 0 283.803 2.106 10 0 CEAERO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CCOCC2)cc1 ZINC000123530463 187096607 /nfs/dbraw/zinc/09/66/07/187096607.db2.gz RAECWJDSMILBHJ-CABCVRRESA-N 1 0 262.397 2.366 10 0 CEAERO CC[C@@H](O)C[NH+]1CCN(Cc2cccc(C)c2C)CC1 ZINC000123531372 187096740 /nfs/dbraw/zinc/09/67/40/187096740.db2.gz ZBMLKHCCLZSMJS-QGZVFWFLSA-N 1 0 276.424 2.192 10 0 CEAERO Cc1csc([C@@H]2CCCN(C(=O)C[C@H]3CC[NH2+]C3)C2)n1 ZINC000130648313 187509180 /nfs/dbraw/zinc/50/91/80/187509180.db2.gz WRZMLIWWMUAJMR-CHWSQXEVSA-N 1 0 293.436 2.157 10 0 CEAERO C[C@H]1CC[C@@H](C(=O)NCCCC[NH+]2CCC(C)CC2)O1 ZINC000131680909 187580762 /nfs/dbraw/zinc/58/07/62/187580762.db2.gz KXPQCNRRCTYGPG-GJZGRUSLSA-N 1 0 282.428 2.182 10 0 CEAERO C[C@H](NC(=O)[C@H]1CC[NH2+][C@H]1C)c1ccc(F)cc1F ZINC000092951846 539831533 /nfs/dbraw/zinc/83/15/33/539831533.db2.gz ZTEZQPDQQIKJBN-AUTRQRHGSA-N 1 0 268.307 2.140 10 0 CEAERO 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SPLQZLHBTLANKV-TZMCWYRMSA-N 1 0 278.421 2.400 10 0 CEAERO COc1ccc(C)cc1[C@H](C)NC(=O)CC[NH2+]C1CC1 ZINC000037612832 540154479 /nfs/dbraw/zinc/15/44/79/540154479.db2.gz QFAAGAHMYFBDRF-LBPRGKRZSA-N 1 0 276.380 2.323 10 0 CEAERO COc1ccc(C[N@@H+]2CCC[C@@H](O)[C@@H]2C)c(F)c1 ZINC000384940208 540220741 /nfs/dbraw/zinc/22/07/41/540220741.db2.gz UFDXTJUKHBLFSW-IINYFYTJSA-N 1 0 253.317 2.180 10 0 CEAERO O=C1c2ccccc2C(=O)N1c1cccc2c1C[NH2+]C2 ZINC000575500413 366293251 /nfs/dbraw/zinc/29/32/51/366293251.db2.gz RKEFRNFTRVHKDT-UHFFFAOYSA-N 1 0 264.284 2.090 10 0 CEAERO C[NH2+][C@@H]1COC[C@H]1c1sccc1Br ZINC000575530692 366293416 /nfs/dbraw/zinc/29/34/16/366293416.db2.gz KMLVKLYSVBACGB-HTRCEHHLSA-N 1 0 262.172 2.212 10 0 CEAERO CN1CC[C@]([NH3+])(c2cscc2Br)C1 ZINC000575560348 366295933 /nfs/dbraw/zinc/29/59/33/366295933.db2.gz JAXRFMHQLDLGDB-SECBINFHSA-N 1 0 261.188 2.000 10 0 CEAERO [NH3+][C@]1(c2cnsc2)CCN(Cc2ccccc2)C1 ZINC000575558382 366296484 /nfs/dbraw/zinc/29/64/84/366296484.db2.gz CQRDTBVEDCZFRR-CQSZACIVSA-N 1 0 259.378 2.203 10 0 CEAERO CCc1c(OC)ccc(I)c1C[NH3+] ZINC000575724755 366347519 /nfs/dbraw/zinc/34/75/19/366347519.db2.gz BRENUDYXMLROED-UHFFFAOYSA-N 1 0 291.132 2.321 10 0 CEAERO CC[NH2+]CC1CCN(c2nc3ccccc3n2C)CC1 ZINC000079049236 363569673 /nfs/dbraw/zinc/56/96/73/363569673.db2.gz GQAZPFMHVCBJLZ-UHFFFAOYSA-N 1 0 272.396 2.399 10 0 CEAERO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H]2C[C@H]2C)c1 ZINC000120401096 538846514 /nfs/dbraw/zinc/84/65/14/538846514.db2.gz IQOKJYVGXXCESW-NTZNESFSSA-N 1 0 292.379 2.419 10 0 CEAERO CC(C)c1cc(N2C[C@@H]3CCC[C@]3(C[NH3+])C2)ncn1 ZINC000388689621 540329907 /nfs/dbraw/zinc/32/99/07/540329907.db2.gz DJMVBQGVHYQIFO-WFASDCNBSA-N 1 0 260.385 2.165 10 0 CEAERO [NH3+]C[C@]12CCC[C@H]1CN(c1nccc3occc31)C2 ZINC000388895974 540333546 /nfs/dbraw/zinc/33/35/46/540333546.db2.gz GPEYEEVOTRAJCP-NHYWBVRUSA-N 1 0 257.337 2.393 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H](C)Cc2ccccc2F)C1 ZINC000158085499 540378546 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ZINC000136139059 366498597 /nfs/dbraw/zinc/49/85/97/366498597.db2.gz YPBJAFOQROQHGE-CMPLNLGQSA-N 1 0 278.318 2.320 10 0 CEAERO O[C@H]1CCC[C@@H](C[N@@H+]2CCOc3ccccc3C2)C1 ZINC000311637849 540457266 /nfs/dbraw/zinc/45/72/66/540457266.db2.gz KHBMJEDYVPMABU-HIFRSBDPSA-N 1 0 261.365 2.432 10 0 CEAERO CCn1nc(C[NH2+][C@@H]2CCO[C@H]2C)c2ccccc21 ZINC000149586506 366590322 /nfs/dbraw/zinc/59/03/22/366590322.db2.gz HZASBIQJRHLTES-WCQYABFASA-N 1 0 259.353 2.323 10 0 CEAERO [NH3+]C[C@H]1CCCCN1Cc1cc(F)c(F)cc1F ZINC000219737774 283500118 /nfs/dbraw/zinc/50/01/18/283500118.db2.gz PUXCMFLINHPHBH-SNVBAGLBSA-N 1 0 258.287 2.417 10 0 CEAERO O[C@@H](CN[C@@H]1CCc2cc(F)ccc21)C[NH+]1CCCCC1 ZINC000151246048 366633678 /nfs/dbraw/zinc/63/36/78/366633678.db2.gz NYPHKYQIOAPBBQ-DOTOQJQBSA-N 1 0 292.398 2.249 10 0 CEAERO O[C@@H](CN[C@H]1CCc2ccccc21)C[NH+]1CCCCC1 ZINC000151267964 366634318 /nfs/dbraw/zinc/63/43/18/366634318.db2.gz XEWQHMFVPSDGGS-RDJZCZTQSA-N 1 0 274.408 2.110 10 0 CEAERO C[C@H](NC[C@@H](O)C[NH+]1CCCCC1)c1cccs1 ZINC000151267038 366634929 /nfs/dbraw/zinc/63/49/29/366634929.db2.gz KZXGHKSFYOFGKD-QWHCGFSZSA-N 1 0 268.426 2.246 10 0 CEAERO Cc1cccc([C@@H](C)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000151340622 366639791 /nfs/dbraw/zinc/63/97/91/366639791.db2.gz MSCPQLCXQXRJNJ-NVXWUHKLSA-N 1 0 276.424 2.492 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)COc1ccccc1 ZINC000177016089 189020454 /nfs/dbraw/zinc/02/04/54/189020454.db2.gz CCHNYRJHUIKDMM-CQSZACIVSA-N 1 0 276.380 2.008 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ncccc1C ZINC000177024769 189021637 /nfs/dbraw/zinc/02/16/37/189021637.db2.gz XMWDVUAJGLDNEO-CYBMUJFWSA-N 1 0 276.384 2.338 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CCc2ccco2)C1 ZINC000177068932 189025986 /nfs/dbraw/zinc/02/59/86/189025986.db2.gz PSARMECHYLQGRO-OCCSQVGLSA-N 1 0 264.369 2.057 10 0 CEAERO [NH3+]CCC1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000081587169 363732996 /nfs/dbraw/zinc/73/29/96/363732996.db2.gz FMAINKOGVBPAFE-UHFFFAOYSA-N 1 0 274.290 2.061 10 0 CEAERO O[C@H](CN1CC[N@@H+]2CCCC[C@@H]2C1)c1ccc(F)cc1F ZINC000177761491 189067900 /nfs/dbraw/zinc/06/79/00/189067900.db2.gz DWWWGKBCSRTKKW-CZUORRHYSA-N 1 0 296.361 2.168 10 0 CEAERO CCOc1ccccc1[C@H](C)[NH2+][C@H](C)CS(C)(=O)=O ZINC000081901649 363745915 /nfs/dbraw/zinc/74/59/15/363745915.db2.gz IEKQHOSEATUAAJ-NEPJUHHUSA-N 1 0 285.409 2.169 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCCc2ccccc21 ZINC000250541960 283575741 /nfs/dbraw/zinc/57/57/41/283575741.db2.gz XQKQNSRGDJUXMY-ZNMIVQPWSA-N 1 0 258.365 2.308 10 0 CEAERO Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178691395 189137996 /nfs/dbraw/zinc/13/79/96/189137996.db2.gz KBGUAMMVVFBVCP-MGPQQGTHSA-N 1 0 290.432 2.467 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]2CN(c3ncccc3Br)C[C@@H]21 ZINC000230133381 283588576 /nfs/dbraw/zinc/58/85/76/283588576.db2.gz OBHDJNDXSOCLNG-JBLDHEPKSA-N 1 0 296.212 2.408 10 0 CEAERO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ncc(F)cn1 ZINC000676563417 540934271 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ZINC000301526856 201047428 /nfs/dbraw/zinc/04/74/28/201047428.db2.gz NSKVOGJWLHSTHP-ZDUSSCGKSA-N 1 0 274.412 2.449 10 0 CEAERO Cc1c(Cl)cccc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000082286836 363760562 /nfs/dbraw/zinc/76/05/62/363760562.db2.gz OLNZVHUXPZAHEF-NSHDSACASA-N 1 0 266.772 2.425 10 0 CEAERO Cn1ccnc1[C@H]([NH3+])c1cccc(Br)c1 ZINC000011848576 361365877 /nfs/dbraw/zinc/36/58/77/361365877.db2.gz DGXGJTLDGFJPPX-SNVBAGLBSA-N 1 0 266.142 2.231 10 0 CEAERO [NH3+]C[C@@H]1CCCN1c1cc(-c2ccccc2)ncn1 ZINC000011849497 361366154 /nfs/dbraw/zinc/36/61/54/361366154.db2.gz BMJZVDZFZXUMKT-ZDUSSCGKSA-N 1 0 254.337 2.071 10 0 CEAERO [NH3+][C@@H](Cn1ccnc1)c1ccc(Br)cc1 ZINC000011848837 361366511 /nfs/dbraw/zinc/36/65/11/361366511.db2.gz MRZXMUDQTWUEOU-NSHDSACASA-N 1 0 266.142 2.346 10 0 CEAERO Cc1nc(-c2ccccc2)cc(N2CCC([NH3+])CC2)n1 ZINC000011849565 361366664 /nfs/dbraw/zinc/36/66/64/361366664.db2.gz HXEJEBVBOIOJBR-UHFFFAOYSA-N 1 0 268.364 2.380 10 0 CEAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1nnsc1Cl 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C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000261551727 283677547 /nfs/dbraw/zinc/67/75/47/283677547.db2.gz WUONNKWXYYMVEC-UTLUCORTSA-N 1 0 266.307 2.079 10 0 CEAERO CCc1ccc(CN(Cc2ccco2)C[C@@H](O)C[NH3+])cc1 ZINC000026509469 361641443 /nfs/dbraw/zinc/64/14/43/361641443.db2.gz TYEKHRLTZKLKBN-INIZCTEOSA-N 1 0 288.391 2.164 10 0 CEAERO COC(=O)[C@H]1C=C2c3cccc4[nH]cc(c43)C[C@H]2[N@@H+](C)C1 ZINC000029589917 361686536 /nfs/dbraw/zinc/68/65/36/361686536.db2.gz RNHDWLRHUJZABX-XHDPSFHLSA-N 1 0 282.343 2.211 10 0 CEAERO CC(C)C[NH2+]C[C@H](O)COc1ccc(Cl)cc1 ZINC000032110458 361728427 /nfs/dbraw/zinc/72/84/27/361728427.db2.gz NJSVNWCRAQLCFJ-LBPRGKRZSA-N 1 0 257.761 2.325 10 0 CEAERO Cc1cccc2c(NCCn3ccnn3)cc[nH+]c12 ZINC000302208085 201397407 /nfs/dbraw/zinc/39/74/07/201397407.db2.gz XSDPIDUWKBXNHZ-UHFFFAOYSA-N 1 0 253.309 2.247 10 0 CEAERO c1cncc(C[NH2+]CCCNc2nc(C3CC3)ns2)c1 ZINC000087642623 363865084 /nfs/dbraw/zinc/86/50/84/363865084.db2.gz XPTUWXCRPSRJOO-UHFFFAOYSA-N 1 0 289.408 2.402 10 0 CEAERO CC(C)c1nsc(N2CCC(CC[NH3+])CC2)n1 ZINC000087642806 363866720 /nfs/dbraw/zinc/86/67/20/363866720.db2.gz CNJRKDZZXUFVJT-UHFFFAOYSA-N 1 0 254.403 2.227 10 0 CEAERO C[NH+](C)CCn1ncc2ccc(Br)cc21 ZINC000089197574 363948952 /nfs/dbraw/zinc/94/89/52/363948952.db2.gz JMRSKQYXYMGSDI-UHFFFAOYSA-N 1 0 268.158 2.360 10 0 CEAERO CCN1CCC[C@@H]([NH2+]Cc2cncn2C(C)C)C1 ZINC000090208725 364048921 /nfs/dbraw/zinc/04/89/21/364048921.db2.gz XSXDJCOXUYIDTK-CYBMUJFWSA-N 1 0 250.390 2.038 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cccs1 ZINC000092677486 364096661 /nfs/dbraw/zinc/09/66/61/364096661.db2.gz YCKVTRKHUGOFRA-NSHDSACASA-N 1 0 252.383 2.304 10 0 CEAERO Cc1cccn2c(CN3C[C@H]4CCC[N@H+]4C[C@@H]3C)cnc12 ZINC000093437532 364181596 /nfs/dbraw/zinc/18/15/96/364181596.db2.gz GHXNWMDFEFMSMH-LSDHHAIUSA-N 1 0 284.407 2.311 10 0 CEAERO Cc1nc(C(C)(C)NC(=O)[C@H]2CC[C@H]([NH3+])C2)sc1C ZINC000237598927 370735921 /nfs/dbraw/zinc/73/59/21/370735921.db2.gz CDQTVTBJMVAQKW-QWRGUYRKSA-N 1 0 281.425 2.239 10 0 CEAERO Cc1cc(C)c(C)c(OCCC(=O)N2CCC[C@H]2C[NH3+])c1 ZINC000237807002 370751961 /nfs/dbraw/zinc/75/19/61/370751961.db2.gz WYHUSDVTFMIBSE-HNNXBMFYSA-N 1 0 290.407 2.330 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@@H]1CCCC12CC2 ZINC000638794249 370756204 /nfs/dbraw/zinc/75/62/04/370756204.db2.gz CATDTZRKTKNMFA-AVGNSLFASA-N 1 0 250.386 2.071 10 0 CEAERO Cc1cc(C(=O)CN2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)c(C)[nH]1 ZINC000094446536 364274746 /nfs/dbraw/zinc/27/47/46/364274746.db2.gz RSKXUVLHALWJLH-ZFWWWQNUSA-N 1 0 289.423 2.373 10 0 CEAERO CCC[C@@H](C(=O)Nc1cccc(NC(=O)NC)c1)[NH+](C)C ZINC000093911053 364241280 /nfs/dbraw/zinc/24/12/80/364241280.db2.gz GLXIUPFEXUAIRM-ZDUSSCGKSA-N 1 0 292.383 2.107 10 0 CEAERO CCOc1nc2ccccc2nc1OC[C@@H]1CCC[NH2+]C1 ZINC000095069732 364329654 /nfs/dbraw/zinc/32/96/54/364329654.db2.gz WBMQSVFCESJWEM-GFCCVEGCSA-N 1 0 287.363 2.407 10 0 CEAERO C[C@@H]1CN(c2nc3ccccc3nc2NC2CC2)CC[NH2+]1 ZINC000095069521 364330141 /nfs/dbraw/zinc/33/01/41/364330141.db2.gz SJHGHSHDQGISRI-LLVKDONJSA-N 1 0 283.379 2.002 10 0 CEAERO CNc1nc2ccccc2nc1N(C)C[C@@H]1CCCC[NH2+]1 ZINC000095071345 364330830 /nfs/dbraw/zinc/33/08/30/364330830.db2.gz PTBJOGDFUJARQX-LBPRGKRZSA-N 1 0 285.395 2.250 10 0 CEAERO CSc1nc(Cl)cc(N(C)C[C@H]2CCC[NH2+]C2)n1 ZINC000095071744 364332415 /nfs/dbraw/zinc/33/24/15/364332415.db2.gz XRIAUNAVRXFGDE-VIFPVBQESA-N 1 0 286.832 2.288 10 0 CEAERO [NH3+]C[C@@H]1CC[C@@H](c2nc(CCc3ccccc3)no2)O1 ZINC000094560893 364277137 /nfs/dbraw/zinc/27/71/37/364277137.db2.gz JKTLEDOGLCJYJQ-STQMWFEESA-N 1 0 273.336 2.034 10 0 CEAERO O=C(Nc1cc(Br)ccc1O)[C@H]1CCC[NH2+]C1 ZINC000094573584 364278482 /nfs/dbraw/zinc/27/84/82/364278482.db2.gz AVIBPAWEZNIRQE-QMMMGPOBSA-N 1 0 299.168 2.093 10 0 CEAERO Cc1ccc([C@H](C)[NH2+][C@H](C)CS(C)(=O)=O)cc1F ZINC000094838128 364303765 /nfs/dbraw/zinc/30/37/65/364303765.db2.gz JORAACAAZYAWOU-MNOVXSKESA-N 1 0 273.373 2.218 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cc(F)c(F)c(F)c1F ZINC000335022731 364365132 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364652265 /nfs/dbraw/zinc/65/22/65/364652265.db2.gz VUVVMPDSORVISU-ZDUSSCGKSA-N 1 0 270.417 2.040 10 0 CEAERO CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)COC)c1ccco1 ZINC000103432542 364653123 /nfs/dbraw/zinc/65/31/23/364653123.db2.gz LMGFKIROSGLWPK-OLZOCXBDSA-N 1 0 282.384 2.061 10 0 CEAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1nn(C)cc1Cl ZINC000335445623 364744885 /nfs/dbraw/zinc/74/48/85/364744885.db2.gz TUSXYCIGYYMNPR-VXGBXAGGSA-N 1 0 282.819 2.132 10 0 CEAERO C[N@H+](CCc1ccccn1)[C@H]1CCCN(c2cccnn2)C1 ZINC000105909693 364703060 /nfs/dbraw/zinc/70/30/60/364703060.db2.gz PHAVGYMOEBQXHB-INIZCTEOSA-N 1 0 297.406 2.015 10 0 CEAERO C[N@H+](CCOC(C)(C)C)[C@H]1CCCN(c2cccnn2)C1 ZINC000105804161 364703326 /nfs/dbraw/zinc/70/33/26/364703326.db2.gz UQRVALGOPCGWMY-AWEZNQCLSA-N 1 0 292.427 2.192 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1C(=O)c1cc(F)c(F)c(F)c1F ZINC000335534728 364800106 /nfs/dbraw/zinc/80/01/06/364800106.db2.gz KTOPVDJLLXNDGG-ZETCQYMHSA-N 1 0 290.260 2.196 10 0 CEAERO [NH3+][C@@H](C(=O)N[C@H]1CCCc2ccccc21)C1CCC1 ZINC000335595789 364810538 /nfs/dbraw/zinc/81/05/38/364810538.db2.gz PEZUSINJHWHBLJ-LSDHHAIUSA-N 1 0 258.365 2.308 10 0 CEAERO O[C@H](CN[C@@H]1CCCc2occc21)C[NH+]1CCCCC1 ZINC000192721935 189627610 /nfs/dbraw/zinc/62/76/10/189627610.db2.gz KECQZYCZENWYDY-UKRRQHHQSA-N 1 0 278.396 2.093 10 0 CEAERO CC(=O)c1ccccc1OCCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000113164335 364873059 /nfs/dbraw/zinc/87/30/59/364873059.db2.gz ZHDIGRRTZQWPPJ-OAHLLOKOSA-N 1 0 288.391 2.048 10 0 CEAERO Cc1cccc(NC(=O)CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000113267634 364880741 /nfs/dbraw/zinc/88/07/41/364880741.db2.gz IFTRGXLPIIPGQS-GOEBONIOSA-N 1 0 287.407 2.102 10 0 CEAERO C[C@H]1C[NH+](CC(C)(C)O)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000112998018 364866577 /nfs/dbraw/zinc/86/65/77/364866577.db2.gz MQQIYMDAOSJVPU-RYUDHWBXSA-N 1 0 286.416 2.087 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)CCc1cc(F)ccc1F ZINC000193486529 189643759 /nfs/dbraw/zinc/64/37/59/189643759.db2.gz IYUYJYUXCVBYEV-IINYFYTJSA-N 1 0 282.334 2.154 10 0 CEAERO C[C@@H](CC1CCCC1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000114328160 364936596 /nfs/dbraw/zinc/93/65/96/364936596.db2.gz TWUWPUNLXPLHON-GXTWGEPZSA-N 1 0 252.402 2.365 10 0 CEAERO CC(C)[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CCCS(C)(=O)=O ZINC000216514731 189705153 /nfs/dbraw/zinc/70/51/53/189705153.db2.gz UKQHBZUYAZEVHT-IHRRRGAJSA-N 1 0 275.458 2.472 10 0 CEAERO Cn1cc([C@@H]2CC[N@H+](CCOc3ccccc3)C2)cn1 ZINC000116320361 365051652 /nfs/dbraw/zinc/05/16/52/365051652.db2.gz BRUYAMPQZPMLAV-CQSZACIVSA-N 1 0 271.364 2.288 10 0 CEAERO CC[C@@H]1CN(C(=O)c2cccc(F)c2)CCN1CCOC ZINC000117302781 365101423 /nfs/dbraw/zinc/10/14/23/365101423.db2.gz OFWDHQWMVDHBPQ-OAHLLOKOSA-N 1 0 294.370 2.009 10 0 CEAERO CCCCCC(=O)N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000117306328 365101437 /nfs/dbraw/zinc/10/14/37/365101437.db2.gz NTLNSSPADZAURA-CQSZACIVSA-N 1 0 270.417 2.136 10 0 CEAERO CCCCC[N@@H+]1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000117880614 365129508 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C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)C[C@@H]1C[NH3+] ZINC000638887085 370822060 /nfs/dbraw/zinc/82/20/60/370822060.db2.gz CXKGLXXQLCNOPD-WYUUTHIRSA-N 1 0 292.345 2.408 10 0 CEAERO C[C@H]1CN(C(=O)CCOc2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC000638889174 370823013 /nfs/dbraw/zinc/82/30/13/370823013.db2.gz KEXQBHDPUMYAAQ-RYUDHWBXSA-N 1 0 296.798 2.162 10 0 CEAERO CC(=O)c1ccccc1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000245464817 370823832 /nfs/dbraw/zinc/82/38/32/370823832.db2.gz PSNBAGHQIJAYRT-JSGCOSHPSA-N 1 0 286.375 2.198 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000245473456 370826891 /nfs/dbraw/zinc/82/68/91/370826891.db2.gz QAJNZTNPNIFCET-CVEARBPZSA-N 1 0 297.487 2.436 10 0 CEAERO C[C@@H]1CN(C(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)C[C@H]1C[NH3+] ZINC000638901955 370830569 /nfs/dbraw/zinc/83/05/69/370830569.db2.gz KQWASMNCDACVOP-DDHJBXDOSA-N 1 0 292.345 2.408 10 0 CEAERO Cc1nnc([C@@H]2C[N@H+](C[C@H]3CCC[C@H](C)C3)CCO2)[nH]1 ZINC000245535176 370833120 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ZINC000572484180 299372042 /nfs/dbraw/zinc/37/20/42/299372042.db2.gz CUVAVCHCECFEGD-VIFPVBQESA-N 1 0 273.163 2.219 10 0 CEAERO Cc1c(Cl)cccc1NC(=O)CN1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631844382 367585102 /nfs/dbraw/zinc/58/51/02/367585102.db2.gz IHBNTUYLIDVBSQ-CMPLNLGQSA-N 1 0 295.814 2.114 10 0 CEAERO O=C(NCC[NH+]1CCCC1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000171770339 367612598 /nfs/dbraw/zinc/61/25/98/367612598.db2.gz BNLCMCQBFNWRSS-STQMWFEESA-N 1 0 294.345 2.280 10 0 CEAERO C[C@@H]1CCC[C@H](CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000171904089 367635721 /nfs/dbraw/zinc/63/57/21/367635721.db2.gz AOZJSTAAIVNLAL-QLFBSQMISA-N 1 0 279.428 2.302 10 0 CEAERO O=C(NC1CC1)[C@H]1CCC[N@@H+]1Cc1ccc2ccccc2n1 ZINC000172415052 367737956 /nfs/dbraw/zinc/73/79/56/367737956.db2.gz VEVTUEBDKMPVQI-QGZVFWFLSA-N 1 0 295.386 2.478 10 0 CEAERO CSCC[N@@H+]1CC[C@H](CNc2cccc(C)n2)C1 ZINC000172434076 367743037 /nfs/dbraw/zinc/74/30/37/367743037.db2.gz JHEGFEVVHPYMDD-CYBMUJFWSA-N 1 0 265.426 2.487 10 0 CEAERO COc1ccc([C@H](C)[NH2+][C@H]2CN(C)C[C@H]2C)cc1OC ZINC000358014239 370870654 /nfs/dbraw/zinc/87/06/54/370870654.db2.gz KHKFPUTXVBJTRG-DYEKYZERSA-N 1 0 278.396 2.305 10 0 CEAERO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@H]1C[C@@H]1C ZINC000245841939 370879033 /nfs/dbraw/zinc/87/90/33/370879033.db2.gz DQDHFAXRIKHJON-GUTXKFCHSA-N 1 0 275.396 2.215 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H](C)C1CCOCC1 ZINC000245918411 370887787 /nfs/dbraw/zinc/88/77/87/370887787.db2.gz OEZXYXHIAIGURP-FVQBIDKESA-N 1 0 294.439 2.134 10 0 CEAERO CCc1nn(C)c(CC)c1CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000245767320 370871723 /nfs/dbraw/zinc/87/17/23/370871723.db2.gz RAZUCJSRPRSIEY-ZIAGYGMSSA-N 1 0 290.455 2.213 10 0 CEAERO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCS[C@@H](C)C1 ZINC000245805165 370875373 /nfs/dbraw/zinc/87/53/73/370875373.db2.gz BYWLMHAZKHAYRT-RDBSUJKOSA-N 1 0 299.484 2.254 10 0 CEAERO C[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)c1ccc(-n2cncn2)cc1 ZINC000245957825 370893480 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C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2SCCc3ccccc32)C1 ZINC000173763179 367941935 /nfs/dbraw/zinc/94/19/35/367941935.db2.gz OCGOIAXZTVOWNA-DZGCQCFKSA-N 1 0 290.432 2.180 10 0 CEAERO C[C@@H]([NH2+]CC(C)(C)O)c1nc(-c2cccc(F)c2)no1 ZINC000174336079 368012165 /nfs/dbraw/zinc/01/21/65/368012165.db2.gz DTLRUBVBGUOXAV-SECBINFHSA-N 1 0 279.315 2.297 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)c1ccnc(C2CC2)n1 ZINC000175166777 368107015 /nfs/dbraw/zinc/10/70/15/368107015.db2.gz JQDMKTMFYCQVBZ-CYBMUJFWSA-N 1 0 260.385 2.275 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(Cl)n1 ZINC000175008888 368088727 /nfs/dbraw/zinc/08/87/27/368088727.db2.gz NAHFUYABFRNXOD-VXGBXAGGSA-N 1 0 293.798 2.434 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)Nc1ccc(C)cc1 ZINC000175350705 368129159 /nfs/dbraw/zinc/12/91/59/368129159.db2.gz CIZAMUCKYSKODD-MRXNPFEDSA-N 1 0 289.423 2.350 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1cccc(O)c1 ZINC000175448172 368139278 /nfs/dbraw/zinc/13/92/78/368139278.db2.gz CWOYGQDNTJSHDS-HUUCEWRRSA-N 1 0 288.391 2.020 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@@H](C)c2ccc(OC)c(F)c2)C1 ZINC000163854127 541680789 /nfs/dbraw/zinc/68/07/89/541680789.db2.gz OAMSBSGGVREEMR-JSGCOSHPSA-N 1 0 296.386 2.206 10 0 CEAERO Cc1c2ccccc2oc1C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000335484884 212160595 /nfs/dbraw/zinc/16/05/95/212160595.db2.gz WLUACHSHSXUAQR-CABZTGNLSA-N 1 0 258.321 2.160 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCNC(=O)OC(C)(C)C ZINC000246003871 370898712 /nfs/dbraw/zinc/89/87/12/370898712.db2.gz JNXVTEYIBMDSAY-KGLIPLIRSA-N 1 0 297.443 2.070 10 0 CEAERO Cc1ccc2c(c1)[C@@H]([NH2+]CCCn1ccnn1)CCCO2 ZINC000184267940 368684102 /nfs/dbraw/zinc/68/41/02/368684102.db2.gz BULJXMYVCVMBII-HNNXBMFYSA-N 1 0 286.379 2.480 10 0 CEAERO C[C@@H]1C[C@H]1c1ccc(CN2CCO[C@@H](C[NH+](C)C)C2)o1 ZINC000246233134 370932222 /nfs/dbraw/zinc/93/22/22/370932222.db2.gz RTUWROCHDWCYCG-VHDGCEQUSA-N 1 0 278.396 2.165 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2ccc(F)cc2)C1 ZINC000246208419 370928051 /nfs/dbraw/zinc/92/80/51/370928051.db2.gz KAFVEBFXULEGJO-IUODEOHRSA-N 1 0 293.386 2.354 10 0 CEAERO CO[C@@H]1CCC[N@H+](C[C@H](O)COc2cc(C)ccc2C)C1 ZINC000246144102 370915373 /nfs/dbraw/zinc/91/53/73/370915373.db2.gz RWKWBVYSVUMYIP-JKSUJKDBSA-N 1 0 293.407 2.154 10 0 CEAERO CCOCC[N@@H+]1CCN(c2ccnc(C(C)C)n2)C[C@H]1C ZINC000246176873 370921529 /nfs/dbraw/zinc/92/15/29/370921529.db2.gz PKRFCYMFOOKHBS-CQSZACIVSA-N 1 0 292.427 2.147 10 0 CEAERO C[C@@H]1CCCC[C@@H]1OCCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000246259543 370937126 /nfs/dbraw/zinc/93/71/26/370937126.db2.gz KWXJZIRWMLZDJA-BARDWOONSA-N 1 0 282.428 2.215 10 0 CEAERO CCC[C@@H](C(=O)Nc1cccc2c1OCC[C@H]2O)[NH+](C)C ZINC000185284802 368781302 /nfs/dbraw/zinc/78/13/02/368781302.db2.gz GGAFTRZCMJNISL-UONOGXRCSA-N 1 0 292.379 2.171 10 0 CEAERO Cc1cc(F)cc(NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)c1 ZINC000634770571 368875358 /nfs/dbraw/zinc/87/53/58/368875358.db2.gz PUOVQYRQTBPOLC-NHYWBVRUSA-N 1 0 262.328 2.462 10 0 CEAERO O=C(NCC1CCCCC1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634735665 368849569 /nfs/dbraw/zinc/84/95/69/368849569.db2.gz MYZKWLAPKWLQEQ-ZFWWWQNUSA-N 1 0 250.386 2.073 10 0 CEAERO O=C(N[C@@H]1C[C@@H]1c1ccccc1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634738660 368851810 /nfs/dbraw/zinc/85/18/10/368851810.db2.gz WFYBROPVXVNQBQ-HWMZRRJGSA-N 1 0 270.376 2.048 10 0 CEAERO C[C@@]1(C(=O)N2CCCC(F)(F)CC2)CCCC[NH2+]1 ZINC000634738667 368852091 /nfs/dbraw/zinc/85/20/91/368852091.db2.gz WKEPQDDMFQCKGF-LBPRGKRZSA-N 1 0 260.328 2.166 10 0 CEAERO CC[C@@H]1CCCN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634742819 368854195 /nfs/dbraw/zinc/85/41/95/368854195.db2.gz YXDJKZAISQDFPC-IPYPFGDCSA-N 1 0 250.386 2.025 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+]Cc2cncc(C)c2)C12CCOCC2 ZINC000186435746 368973460 /nfs/dbraw/zinc/97/34/60/368973460.db2.gz WZZPSSODXLETNE-CVEARBPZSA-N 1 0 290.407 2.454 10 0 CEAERO COc1ccsc1[C@@H](C)[NH2+][C@H]1CCc2ncnn2C1 ZINC000186207398 368937074 /nfs/dbraw/zinc/93/70/74/368937074.db2.gz 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XOCFACGUHTWZDP-WDEREUQCSA-N 1 0 283.368 2.362 10 0 CEAERO C[NH2+][C@H]1CCOC[C@H]1Sc1nc2ccccc2[nH]1 ZINC000081862648 184598337 /nfs/dbraw/zinc/59/83/37/184598337.db2.gz OGURFPAYNNNUON-NWDGAFQWSA-N 1 0 263.366 2.032 10 0 CEAERO CCC[NH2+][C@](CO)(CN(C)CCC)c1ccccc1 ZINC000085239523 184608302 /nfs/dbraw/zinc/60/83/02/184608302.db2.gz NZKSBEDSAHRRLJ-INIZCTEOSA-N 1 0 264.413 2.216 10 0 CEAERO C[C@@H]1CC[C@](C[NH3+])(OCC(=O)Nc2ccc(F)cc2)C1 ZINC000086724208 184610463 /nfs/dbraw/zinc/61/04/63/184610463.db2.gz CZWKVLILKLNMEC-ABAIWWIYSA-N 1 0 280.343 2.298 10 0 CEAERO Cc1cc(Sc2ncns2)ccc1C(N)=[NH2+] ZINC000088124642 184613046 /nfs/dbraw/zinc/61/30/46/184613046.db2.gz YMULKQFLYNDEMH-UHFFFAOYSA-N 1 0 250.352 2.282 10 0 CEAERO CCN(CC)S(=O)(=O)Cc1cccc(C[NH2+]C(C)C)c1 ZINC000088906328 184613717 /nfs/dbraw/zinc/61/37/17/184613717.db2.gz BHYIAZQQKSDPRK-UHFFFAOYSA-N 1 0 298.452 2.356 10 0 CEAERO CC(C)N(C)S(=O)(=O)c1ccc(CC[NH2+]C2CC2)cc1 ZINC000088916887 184614512 /nfs/dbraw/zinc/61/45/12/184614512.db2.gz BGSOYFJEYSDUOL-UHFFFAOYSA-N 1 0 296.436 2.010 10 0 CEAERO C[NH2+]CCCCS(=O)(=O)N(Cc1ccccc1)C(C)C ZINC000088915037 184614588 /nfs/dbraw/zinc/61/45/88/184614588.db2.gz HACPWNIDNNOGGX-UHFFFAOYSA-N 1 0 298.452 2.226 10 0 CEAERO Cc1cc(C)cc(N(C)C[C@@](C)(O)C[NH2+]C(C)C)c1 ZINC000090822186 184618341 /nfs/dbraw/zinc/61/83/41/184618341.db2.gz LHFAXPXTCKMHTL-INIZCTEOSA-N 1 0 264.413 2.489 10 0 CEAERO CCC[NH2+][C@](CO)(CN1[C@H](C)CCC[C@@H]1C)C1CC1 ZINC000085239139 184607347 /nfs/dbraw/zinc/60/73/47/184607347.db2.gz KXCHLFVCQLNLNN-LZWOXQAQSA-N 1 0 268.445 2.390 10 0 CEAERO CC1(C)C(CNC(=O)[C@@H]2CC23CC[NH2+]CC3)C1(C)C ZINC000092818079 184627967 /nfs/dbraw/zinc/62/79/67/184627967.db2.gz OYIDFAIXZDVWAV-NSHDSACASA-N 1 0 264.413 2.175 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@@H]([S@](=O)C(C)(C)C)C2 ZINC000092859446 184632429 /nfs/dbraw/zinc/63/24/29/184632429.db2.gz DHJAWFRBAMGQJG-ZJNRKIDTSA-N 1 0 267.394 2.167 10 0 CEAERO CC[NH2+][C@@H]1c2cc(OC)ccc2C[C@H]1SC1COC1 ZINC000092861107 184632585 /nfs/dbraw/zinc/63/25/85/184632585.db2.gz XFAALZHPHUZXMJ-HUUCEWRRSA-N 1 0 279.405 2.403 10 0 CEAERO O=C(Nc1ccc(F)cc1F)OC1CC[NH2+]CC1 ZINC000092742474 184624261 /nfs/dbraw/zinc/62/42/61/184624261.db2.gz UHKNCVSALDJRMB-UHFFFAOYSA-N 1 0 256.252 2.265 10 0 CEAERO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(-n2cccc2)c1 ZINC000092953076 184636999 /nfs/dbraw/zinc/63/69/99/184636999.db2.gz SMNOJTOLZKIVMW-SWLSCSKDSA-N 1 0 269.348 2.414 10 0 CEAERO CCCn1ncnc1CC1(c2ccccc2C)C[NH2+]C1 ZINC000093196340 184654948 /nfs/dbraw/zinc/65/49/48/184654948.db2.gz PEIDYSXDBNZLJQ-UHFFFAOYSA-N 1 0 270.380 2.080 10 0 CEAERO CC[NH2+]C[C@@H](c1ccccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000093104658 184649434 /nfs/dbraw/zinc/64/94/34/184649434.db2.gz CUPZQASHFITGST-UKRRQHHQSA-N 1 0 281.421 2.123 10 0 CEAERO COCC[C@H](C)[NH2+][C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000093208658 184655792 /nfs/dbraw/zinc/65/57/92/184655792.db2.gz IPZQUCFTKQDSCO-XQQFMLRXSA-N 1 0 286.416 2.447 10 0 CEAERO C[NH2+]C[C@@H](Cc1ncnn1C)c1cccc(Cl)c1 ZINC000093166009 184652613 /nfs/dbraw/zinc/65/26/13/184652613.db2.gz FQILCKKKEPQZLD-LLVKDONJSA-N 1 0 264.760 2.014 10 0 CEAERO CCn1ncnc1C[C@H](C[NH2+]C)c1cccc(Cl)c1 ZINC000093166094 184653194 /nfs/dbraw/zinc/65/31/94/184653194.db2.gz OWHXDTBSHAGPSQ-GFCCVEGCSA-N 1 0 278.787 2.497 10 0 CEAERO C[NH2+]Cc1cn(C)nc1-c1c(C)nn(C(C)C)c1C ZINC000093296895 184661517 /nfs/dbraw/zinc/66/15/17/184661517.db2.gz YCEAHZOTVGUNCI-UHFFFAOYSA-N 1 0 261.373 2.201 10 0 CEAERO [NH3+]CCOCC(=O)Nc1ccc2oc3ccccc3c2c1 ZINC000093231929 184657312 /nfs/dbraw/zinc/65/73/12/184657312.db2.gz HIRNYIAUMNFBJA-UHFFFAOYSA-N 1 0 284.315 2.500 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000177696270 285241310 /nfs/dbraw/zinc/24/13/10/285241310.db2.gz YGIHLDPOYZUXKJ-JKSUJKDBSA-N 1 0 295.471 2.050 10 0 CEAERO COc1ccc2cc([C@]3(C)CNC(=[NH2+])N3C)ccc2c1 ZINC000093357646 184667326 /nfs/dbraw/zinc/66/73/26/184667326.db2.gz QXXRJKNYDYFRRF-INIZCTEOSA-N 1 0 269.348 2.324 10 0 CEAERO CC(C)Oc1ccc([C@@]2(C)CNC(=[NH2+])N2C2CC2)cc1 ZINC000093373609 184667954 /nfs/dbraw/zinc/66/79/54/184667954.db2.gz HGUAGKWLONDSDE-MRXNPFEDSA-N 1 0 273.380 2.482 10 0 CEAERO COc1ccc2c(c1)CCC[C@]21CNC(=[NH2+])N1C(C)C ZINC000093374280 184668038 /nfs/dbraw/zinc/66/80/38/184668038.db2.gz KAOVOZGCPXCAMU-INIZCTEOSA-N 1 0 273.380 2.266 10 0 CEAERO C[C@]1(c2ccccc2Br)CNC(=[NH2+])N1C1CC1 ZINC000093373968 184668370 /nfs/dbraw/zinc/66/83/70/184668370.db2.gz VTXWUASHUCTJLL-CYBMUJFWSA-N 1 0 294.196 2.457 10 0 CEAERO C[C@]1(c2ccc(F)cc2F)CNC(=[NH2+])N1CC1CC1 ZINC000093394409 184670196 /nfs/dbraw/zinc/67/01/96/184670196.db2.gz PNJNWCOCULPEII-CQSZACIVSA-N 1 0 265.307 2.220 10 0 CEAERO COc1cccc([C@@H]2CNC(=[NH2+])N2C2CCCC2)c1 ZINC000093391843 184670223 /nfs/dbraw/zinc/67/02/23/184670223.db2.gz CVXLPJLKKWGBNJ-AWEZNQCLSA-N 1 0 259.353 2.309 10 0 CEAERO NC(=O)c1c(F)cccc1OC[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000093410672 184671894 /nfs/dbraw/zinc/67/18/94/184671894.db2.gz GMHDYFZALCTWEU-MNOVXSKESA-N 1 0 280.343 2.069 10 0 CEAERO COC(=O)c1ccc(C[NH2+]CC2C[C@@H](C)O[C@H](C)C2)o1 ZINC000281421669 195233344 /nfs/dbraw/zinc/23/33/44/195233344.db2.gz YYDXJBGQOUWZMJ-GHMZBOCLSA-N 1 0 281.352 2.359 10 0 CEAERO CC[C@H]([NH2+]C)[C@H](C)S(=O)(=O)c1cc(F)ccc1F ZINC000081945788 177907214 /nfs/dbraw/zinc/90/72/14/177907214.db2.gz QQPWMCWGGUDWLM-KWQFWETISA-N 1 0 277.336 2.125 10 0 CEAERO C[NH2+][C@H](CS(=O)(=O)C(C)(C)C)c1cccc(OC)c1 ZINC000081924289 177897324 /nfs/dbraw/zinc/89/73/24/177897324.db2.gz MEXGBCVMZMGHLN-CYBMUJFWSA-N 1 0 285.409 2.169 10 0 CEAERO CCOC(=O)CS[C@@H]1C[C@H](CC)CC[C@@H]1[NH2+]C ZINC000081794705 177861464 /nfs/dbraw/zinc/86/14/64/177861464.db2.gz AMCYREPHYIFHOI-GRYCIOLGSA-N 1 0 259.415 2.449 10 0 CEAERO COC(=O)CCS[C@H]1CCc2cc(OC)ccc2[C@@H]1[NH3+] ZINC000081788965 177859025 /nfs/dbraw/zinc/85/90/25/177859025.db2.gz VGKQQDVLLDVZMU-ZFWWWQNUSA-N 1 0 295.404 2.306 10 0 CEAERO C[NH2+][C@@H]1CCOC[C@@H]1Sc1nc2ccccc2o1 ZINC000081868915 177868683 /nfs/dbraw/zinc/86/86/83/177868683.db2.gz IVGNUOZLUUSRTA-PWSUYJOCSA-N 1 0 264.350 2.297 10 0 CEAERO COc1cccc([C@@H]([NH3+])CSc2nc(C)cc(=O)[nH]2)c1 ZINC000081868470 177868148 /nfs/dbraw/zinc/86/81/48/177868148.db2.gz FSSJXWDMTOFCEJ-LBPRGKRZSA-N 1 0 291.376 2.291 10 0 CEAERO Cc1nccc(CN[C@H](C)C[C@@H]2CCCCC[NH2+]2)n1 ZINC000093515869 184687089 /nfs/dbraw/zinc/68/70/89/184687089.db2.gz CRBYJKWIBMTNFO-OCCSQVGLSA-N 1 0 262.401 2.185 10 0 CEAERO CCOC(=O)CS[C@H]1CC(C)(C)CC[C@H]1[NH2+]C ZINC000081795760 177862061 /nfs/dbraw/zinc/86/20/61/177862061.db2.gz YUDBMNJCXGQAOP-MNOVXSKESA-N 1 0 259.415 2.449 10 0 CEAERO O=C(CC1C[NH2+]C1)Nc1ccc(-c2nccs2)cc1 ZINC000081749174 177853136 /nfs/dbraw/zinc/85/31/36/177853136.db2.gz QESORDXDJAZTEV-UHFFFAOYSA-N 1 0 273.361 2.358 10 0 CEAERO CCCNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000081631739 177834179 /nfs/dbraw/zinc/83/41/79/177834179.db2.gz DGGZETOADZCSAO-FPMFFAJLSA-N 1 0 252.402 2.460 10 0 CEAERO NC(=[NH2+])c1cccc(Oc2cncc(Br)c2)n1 ZINC000081622476 177833625 /nfs/dbraw/zinc/83/36/25/177833625.db2.gz MBGTZHRGTVXXPB-UHFFFAOYSA-N 1 0 293.124 2.315 10 0 CEAERO COc1ncccc1CN1CC[C@@H]2[C@@H]1CC[N@@H+]2CC1CC1 ZINC000247828284 256696561 /nfs/dbraw/zinc/69/65/61/256696561.db2.gz GNOKISZZHQTDFF-CVEARBPZSA-N 1 0 287.407 2.149 10 0 CEAERO CN(C(=O)[C@@H]1CCCCC[NH2+]1)c1ccccc1F ZINC000081018392 177756456 /nfs/dbraw/zinc/75/64/56/177756456.db2.gz ZFEREZCZSDSKGR-LBPRGKRZSA-N 1 0 250.317 2.321 10 0 CEAERO CCC(CC)N(CCOC)C(=O)[C@H]1CCCCC[NH2+]1 ZINC000080996385 177750796 /nfs/dbraw/zinc/75/07/96/177750796.db2.gz ONAOQKZGKRDDPW-CQSZACIVSA-N 1 0 270.417 2.182 10 0 CEAERO CCC[NH+](CCC)CC[C@H]1CCC[C@@]1([NH3+])C(=O)[O-] ZINC000093584808 184693276 /nfs/dbraw/zinc/69/32/76/184693276.db2.gz RKUGWMWRXVFAGX-OCCSQVGLSA-N 1 0 256.390 2.081 10 0 CEAERO CC(C)[NH2+][C@@]1(CO)CCC[C@H]1CCN(C)CC(F)(F)F ZINC000093617125 184695916 /nfs/dbraw/zinc/69/59/16/184695916.db2.gz MVPAKUVHAYLDGS-QWHCGFSZSA-N 1 0 296.377 2.400 10 0 CEAERO CC[NH2+][C@@]1(CO)CCC[C@@H]1CCn1nc(C)c(C)c1C ZINC000093618882 184696768 /nfs/dbraw/zinc/69/67/68/184696768.db2.gz BOTXMCAGRMKJQV-HZPDHXFCSA-N 1 0 279.428 2.339 10 0 CEAERO CCOC(=O)[C@@]1([NH3+])CCC[C@H]1CCOC(C)(C)C ZINC000093618752 184696981 /nfs/dbraw/zinc/69/69/81/184696981.db2.gz QCRWVVRNTGIYOW-SMDDNHRTSA-N 1 0 257.374 2.252 10 0 CEAERO C[NH2+][C@@]1(CO)CCC[C@@H]1CCOc1cccc(F)c1 ZINC000093621474 184697372 /nfs/dbraw/zinc/69/73/72/184697372.db2.gz MCOXFZWDKIZTBI-IUODEOHRSA-N 1 0 267.344 2.345 10 0 CEAERO CCC[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCOc1ccccc1 ZINC000093624983 184698225 /nfs/dbraw/zinc/69/82/25/184698225.db2.gz VLBZHIDGAVFMHC-RHSMWYFYSA-N 1 0 290.407 2.479 10 0 CEAERO C[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCOc1cc(C)ccc1C ZINC000093624812 184698325 /nfs/dbraw/zinc/69/83/25/184698325.db2.gz NIQZCFMKBKYDFC-RHSMWYFYSA-N 1 0 290.407 2.316 10 0 CEAERO CC[NH2+][C@]1(C(N)=O)CCC[C@H]1CCSC(C)C ZINC000093629778 184698520 /nfs/dbraw/zinc/69/85/20/184698520.db2.gz XFZBKBVXECUVHO-WCQYABFASA-N 1 0 258.431 2.152 10 0 CEAERO COCC[NH2+]CC/C=C(/C)Cc1c(Cl)c(C)nn1C ZINC000093676627 184704490 /nfs/dbraw/zinc/70/44/90/184704490.db2.gz BSSZJJBDWMHGMV-WDZFZDKYSA-N 1 0 285.819 2.497 10 0 CEAERO CO[C@H](C)c1noc(CC[C@@H]([NH3+])c2ccccc2)n1 ZINC000093689123 184706703 /nfs/dbraw/zinc/70/67/03/184706703.db2.gz MYOSGYBDDFYGPT-ZYHUDNBSSA-N 1 0 261.325 2.410 10 0 CEAERO CC[NH2+][C@H](C[C@H]1CCCN(S(C)(=O)=O)C1)C(C)(C)C ZINC000093700030 184708081 /nfs/dbraw/zinc/70/80/81/184708081.db2.gz ZAOZMNICNOYLHZ-CHWSQXEVSA-N 1 0 290.473 2.072 10 0 CEAERO CCCN[C@@]1(C(N)=O)CCC[C@@H]([NH+](CCC)CCC)C1 ZINC000093749173 184712794 /nfs/dbraw/zinc/71/27/94/184712794.db2.gz VADAMSPGAOQAHA-ZBFHGGJFSA-N 1 0 283.460 2.275 10 0 CEAERO CCN[C@]1(C(=O)OCC)CCC[C@H]([NH+]2CCCCC2)C1 ZINC000093749082 184712953 /nfs/dbraw/zinc/71/29/53/184712953.db2.gz FJUFJYKDWQDHHN-GOEBONIOSA-N 1 0 282.428 2.326 10 0 CEAERO Cc1cnn([C@@H]2CCC[C@](CO)([NH2+]C(C)C)C2)c1 ZINC000093784195 184720912 /nfs/dbraw/zinc/72/09/12/184720912.db2.gz LTGMNRUMYPANPF-KGLIPLIRSA-N 1 0 251.374 2.036 10 0 CEAERO COCCCS[C@@H]1CCC[C@](CO)([NH2+]C(C)C)C1 ZINC000093786312 184722073 /nfs/dbraw/zinc/72/20/73/184722073.db2.gz ARTWUFRSOSDNEI-KGLIPLIRSA-N 1 0 275.458 2.428 10 0 CEAERO Cc1cc(S[C@@H]2CCC[C@@](CO)([NH2+]C3CC3)C2)n(C)n1 ZINC000093786233 184722187 /nfs/dbraw/zinc/72/21/87/184722187.db2.gz QKQSVQBRIZIFBZ-UKRRQHHQSA-N 1 0 295.452 2.246 10 0 CEAERO CCC[NH2+][C@@]1(CO)CCC[C@@H](Sc2cc(C)nn2C)C1 ZINC000093786224 184722256 /nfs/dbraw/zinc/72/22/56/184722256.db2.gz NQYSGEMHIVULJL-HIFRSBDPSA-N 1 0 297.468 2.494 10 0 CEAERO C[NH2+][C@]1(CO)CCC[C@@H](OCC2CCCCC2)C1 ZINC000093784495 184722258 /nfs/dbraw/zinc/72/22/58/184722258.db2.gz LTAQJJRVPQWYRU-HUUCEWRRSA-N 1 0 255.402 2.476 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCc1nccs1 ZINC000094449713 184801699 /nfs/dbraw/zinc/80/16/99/184801699.db2.gz VBVLDASBWRMXIE-QWHCGFSZSA-N 1 0 265.426 2.244 10 0 CEAERO CCC[NH2+][C@H](Cc1ccccc1F)[C@H]1CN(CC)CCO1 ZINC000093915432 184742085 /nfs/dbraw/zinc/74/20/85/184742085.db2.gz DVVZOOCXYNKTLZ-IAGOWNOFSA-N 1 0 294.414 2.457 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccccc1F)[C@H]1CN(CC)CCO1 ZINC000093915431 184742105 /nfs/dbraw/zinc/74/21/05/184742105.db2.gz DVVZOOCXYNKTLZ-DLBZAZTESA-N 1 0 294.414 2.457 10 0 CEAERO CC(C)Oc1nc(Cl)nc(OCC(C)(C)[NH+](C)C)n1 ZINC000093955071 184745736 /nfs/dbraw/zinc/74/57/36/184745736.db2.gz BFJCLCXOWVSTHW-UHFFFAOYSA-N 1 0 288.779 2.031 10 0 CEAERO O=C(c1ccccc1)N(CC1CC[NH2+]CC1)C1CC1 ZINC000094023256 184751320 /nfs/dbraw/zinc/75/13/20/184751320.db2.gz HBWLQKJEBFLKOT-UHFFFAOYSA-N 1 0 258.365 2.291 10 0 CEAERO CC[NH2+][C@H](C(OCC)OCC)[C@H]1CCc2cccnc21 ZINC000094138870 184755947 /nfs/dbraw/zinc/75/59/47/184755947.db2.gz QRMSEINUNVLYAL-ZFWWWQNUSA-N 1 0 278.396 2.489 10 0 CEAERO CCc1ccc(C[C@@H](O)C(C)(C)[NH+]2CCCC2)nc1 ZINC000094115106 184756033 /nfs/dbraw/zinc/75/60/33/184756033.db2.gz IZBBSMVJKOCRKF-OAHLLOKOSA-N 1 0 262.397 2.422 10 0 CEAERO CCn1ccnc1C[C@H](N)C1([NH+](C)C)CCCCC1 ZINC000094163615 184758276 /nfs/dbraw/zinc/75/82/76/184758276.db2.gz SVAQYKCQYKEQQX-ZDUSSCGKSA-N 1 0 264.417 2.037 10 0 CEAERO Cn1c2ccccc2nc1C[C@H](O)C1([NH+](C)C)CCCC1 ZINC000094170504 184759406 /nfs/dbraw/zinc/75/94/06/184759406.db2.gz ADUMNPJSNIEPMR-HNNXBMFYSA-N 1 0 287.407 2.351 10 0 CEAERO CCc1noc(COc2ccc(C[NH2+]C(C)(C)C)nc2)n1 ZINC000094211657 184763605 /nfs/dbraw/zinc/76/36/05/184763605.db2.gz VJASIPYUEHPKFI-UHFFFAOYSA-N 1 0 290.367 2.494 10 0 CEAERO COC(=O)c1ccc(N[C@H]2CCC[C@H]2[NH3+])c(F)c1F ZINC000094272056 184774360 /nfs/dbraw/zinc/77/43/60/184774360.db2.gz SFHNBTTVXOKVGF-BDAKNGLRSA-N 1 0 270.279 2.043 10 0 CEAERO C[NH2+][C@@H]1[C@H](N(C)Cc2cnn(C)c2)CCCC1(C)C ZINC000094274403 184774639 /nfs/dbraw/zinc/77/46/39/184774639.db2.gz MESQYFKRFZIIJS-ZIAGYGMSSA-N 1 0 264.417 2.019 10 0 CEAERO Cc1nn(C)c(C[C@]2(C[NH3+])CCC(C)(C)[C@@H]2O)c1Cl ZINC000094314919 184779024 /nfs/dbraw/zinc/77/90/24/184779024.db2.gz VXFVVZYJQSFMSV-JSGCOSHPSA-N 1 0 285.819 2.050 10 0 CEAERO Cc1nccn1CCOc1c(F)cc(C[C@H](C)[NH3+])cc1F ZINC000094350350 184786982 /nfs/dbraw/zinc/78/69/82/184786982.db2.gz HUHZNDAROZDYLY-JTQLQIEISA-N 1 0 295.333 2.438 10 0 CEAERO CCOC(=O)CCC[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000094373678 184791048 /nfs/dbraw/zinc/79/10/48/184791048.db2.gz SOYNKSLNSOJKKB-LBPRGKRZSA-N 1 0 255.358 2.021 10 0 CEAERO C[C@H]([NH3+])Cc1cnn([C@H]2CCOC3(CCCC3)C2)c1 ZINC000094413246 184794466 /nfs/dbraw/zinc/79/44/66/184794466.db2.gz QNLZCCMNQOFJIA-JSGCOSHPSA-N 1 0 263.385 2.437 10 0 CEAERO C[C@](O)(C[NH2+]C1CC1)[C@H]1CCOC2(CCSCC2)C1 ZINC000094418905 184795299 /nfs/dbraw/zinc/79/52/99/184795299.db2.gz KKIKVUKDMYEXEI-JSGCOSHPSA-N 1 0 285.453 2.182 10 0 CEAERO CC(=O)Nc1cccc(NC(=O)[C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000094749494 184852486 /nfs/dbraw/zinc/85/24/86/184852486.db2.gz YDYOLXZJIYUAJC-LSDHHAIUSA-N 1 0 289.379 2.491 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)N1CCC(CC)(CC)C1 ZINC000094802355 184868015 /nfs/dbraw/zinc/86/80/15/184868015.db2.gz MGBGQENQGWDBJL-ZIAGYGMSSA-N 1 0 282.428 2.040 10 0 CEAERO 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DIQKCYLQQVCCTI-RYUDHWBXSA-N 1 0 295.814 2.256 10 0 CEAERO Cc1ccccc1-c1noc(CN2C[C@@H](C)C[C@H]([NH3+])C2)n1 ZINC000094552550 184816938 /nfs/dbraw/zinc/81/69/38/184816938.db2.gz LKDIWFIABVVPBK-AAEUAGOBSA-N 1 0 286.379 2.214 10 0 CEAERO Cc1ccc(NC(=O)[C@@H]2CC[C@@H](C[NH3+])O2)c(Cl)c1 ZINC000094564952 184818261 /nfs/dbraw/zinc/81/82/61/184818261.db2.gz MZMPACYKYQGSAN-CABZTGNLSA-N 1 0 268.744 2.093 10 0 CEAERO Cc1ccc2nc(NC(=O)[C@H]3CC[C@H](C[NH3+])O3)sc2c1 ZINC000094563048 184818459 /nfs/dbraw/zinc/81/84/59/184818459.db2.gz DHQWUHKJZHWWAD-MWLCHTKSSA-N 1 0 291.376 2.050 10 0 CEAERO [NH3+]C1CC(CNC(=O)c2cccc(C(F)(F)F)c2F)C1 ZINC000094600379 184823564 /nfs/dbraw/zinc/82/35/64/184823564.db2.gz NGBJXLJXJLCOMB-UHFFFAOYSA-N 1 0 290.260 2.312 10 0 CEAERO CC(C)N(CC1CC[NH2+]CC1)c1nc2ccc(F)cn2n1 ZINC000094609260 184825230 /nfs/dbraw/zinc/82/52/30/184825230.db2.gz WNANAEQFCWGPIM-UHFFFAOYSA-N 1 0 291.374 2.083 10 0 CEAERO C[NH2+][C@@]1(C(N)=O)CCC[C@H](Sc2cccc(F)c2)C1 ZINC000094624280 184828396 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C[NH2+]CC[C@H]1CCCCN1C(=O)Cc1cccc(F)c1F ZINC000094713617 184845343 /nfs/dbraw/zinc/84/53/43/184845343.db2.gz IQNXFKMZJYYKKX-CYBMUJFWSA-N 1 0 296.361 2.498 10 0 CEAERO CC(C)(C)[NH2+]Cc1ccnn1Cc1nccs1 ZINC000094978853 184909992 /nfs/dbraw/zinc/90/99/92/184909992.db2.gz FXKXRUJMIXQFBW-UHFFFAOYSA-N 1 0 250.371 2.276 10 0 CEAERO CCC[C@@H]1C[NH2+][C@H](C2CC2)CN1Cc1nccs1 ZINC000094980431 184910352 /nfs/dbraw/zinc/91/03/52/184910352.db2.gz VZQRRRIYWIVOFK-OLZOCXBDSA-N 1 0 265.426 2.496 10 0 CEAERO COc1ncccc1CN1CC[NH2+]Cc2ccccc21 ZINC000095009382 184914721 /nfs/dbraw/zinc/91/47/21/184914721.db2.gz OJHLTCFJPPFIPT-UHFFFAOYSA-N 1 0 269.348 2.200 10 0 CEAERO [NH3+]CCN(C(=O)C[C@H]1CCCCO1)C1CCCCC1 ZINC000095033163 184919762 /nfs/dbraw/zinc/91/97/62/184919762.db2.gz NNORPHLRZHCUGY-CQSZACIVSA-N 1 0 268.401 2.066 10 0 CEAERO CC(C)[NH2+]CCc1nnc(C[C@H]2CCCCO2)s1 ZINC000095033347 184919845 /nfs/dbraw/zinc/91/98/45/184919845.db2.gz WIJPEMQQVVNTIC-LLVKDONJSA-N 1 0 269.414 2.190 10 0 CEAERO CCOCCCc1nnc(CCC[NH2+]C(C)(C)C)o1 ZINC000095038109 184920289 /nfs/dbraw/zinc/92/02/89/184920289.db2.gz CLZSPHGVAXQTHE-UHFFFAOYSA-N 1 0 269.389 2.359 10 0 CEAERO c1ccc2nc(OC3CC[NH2+]CC3)c(NC3CC3)nc2c1 ZINC000095068062 184930225 /nfs/dbraw/zinc/93/02/25/184930225.db2.gz YZHDVFQIOGCFHT-UHFFFAOYSA-N 1 0 284.363 2.335 10 0 CEAERO c1ccc2nc(NC3CC3)c(NC[C@H]3CC[NH2+]C3)nc2c1 ZINC000095092609 184941579 /nfs/dbraw/zinc/94/15/79/184941579.db2.gz PTDVYWAPYUNAMJ-NSHDSACASA-N 1 0 283.379 2.226 10 0 CEAERO CCN(Cc1cccc(C)n1)[C@@H]([C@@H](C)[NH3+])C(F)(F)F ZINC000094910871 184891376 /nfs/dbraw/zinc/89/13/76/184891376.db2.gz LXILMSDUDLELHP-PWSUYJOCSA-N 1 0 275.318 2.490 10 0 CEAERO C[C@H](CCCO)NC(=O)CC[C@@H](CC[NH3+])C(C)(C)C ZINC000094944210 184899419 /nfs/dbraw/zinc/89/94/19/184899419.db2.gz GZMCLLXYOYFOPX-OLZOCXBDSA-N 1 0 272.433 2.055 10 0 CEAERO CCOC(=O)CCCCC[NH2+]C[C@H](CC)CCO ZINC000094953930 184902794 /nfs/dbraw/zinc/90/27/94/184902794.db2.gz ZPNRTBKIGYPMKA-CYBMUJFWSA-N 1 0 259.390 2.108 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)[C@H]([NH3+])C(C)C)cc1F ZINC000094956477 184903485 /nfs/dbraw/zinc/90/34/85/184903485.db2.gz OJEMFLFGZGKTAY-ZWNOBZJWSA-N 1 0 252.333 2.295 10 0 CEAERO Cc1cc(F)ccc1CCNC(=O)CC1([NH3+])CCCC1 ZINC000094955967 184903795 /nfs/dbraw/zinc/90/37/95/184903795.db2.gz XHQXUIPUGJDOOK-UHFFFAOYSA-N 1 0 278.371 2.454 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)CC(C)(C)[NH3+])cc1F ZINC000094956462 184903904 /nfs/dbraw/zinc/90/39/04/184903904.db2.gz OERRVNMWPUYXQO-JTQLQIEISA-N 1 0 252.333 2.439 10 0 CEAERO COCC[C@@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1ccc(C)o1 ZINC000262300299 533284199 /nfs/dbraw/zinc/28/41/99/533284199.db2.gz AIAILJSIYTVCKF-FPMFFAJLSA-N 1 0 294.395 2.170 10 0 CEAERO C[C@@H](NC(=O)[C@@H](C)C1C[NH2+]C1)c1ccc(Cl)cc1 ZINC000164418187 130315860 /nfs/dbraw/zinc/31/58/60/130315860.db2.gz BYQZWOUREXKWAW-VHSXEESVSA-N 1 0 266.772 2.373 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000085361553 134505697 /nfs/dbraw/zinc/50/56/97/134505697.db2.gz WGHTYAJHGBDLDT-ZIAGYGMSSA-N 1 0 288.395 2.138 10 0 CEAERO O=C(C1CC1)N1CCN(CC[NH+]2CCCC2)c2ccccc21 ZINC000041371113 134880135 /nfs/dbraw/zinc/88/01/35/134880135.db2.gz GJVWFZGXCVOZNW-UHFFFAOYSA-N 1 0 299.418 2.345 10 0 CEAERO Cc1cccc2c1N(C(=O)C[C@H]1CCC[NH2+]1)CCC2 ZINC000042171566 134886028 /nfs/dbraw/zinc/88/60/28/134886028.db2.gz YVJSZGWTNALNPP-CQSZACIVSA-N 1 0 258.365 2.416 10 0 CEAERO CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCOC2)c2ccccc21 ZINC000071324510 134962906 /nfs/dbraw/zinc/96/29/06/134962906.db2.gz DHAFQMYXOSJVHX-TZMCWYRMSA-N 1 0 274.364 2.110 10 0 CEAERO CCC(C)(C)NC(=O)CN1CC[C@@H]([NH2+]C)c2ccccc21 ZINC000071325674 134964466 /nfs/dbraw/zinc/96/44/66/134964466.db2.gz WBYFWDKVKSHFQU-CQSZACIVSA-N 1 0 289.423 2.462 10 0 CEAERO C[N@@H+]1CCC[C@H]1CC(=O)N1CCCc2ccccc21 ZINC000082322407 135006919 /nfs/dbraw/zinc/00/69/19/135006919.db2.gz DECZTAJVDDJZDQ-AWEZNQCLSA-N 1 0 258.365 2.450 10 0 CEAERO COc1cc(OC)cc(N2CC[NH2+]C[C@H]2C(C)C)c1 ZINC000083479499 135023802 /nfs/dbraw/zinc/02/38/02/135023802.db2.gz WHCOGLGOJNCPKU-HNNXBMFYSA-N 1 0 264.369 2.138 10 0 CEAERO Cc1ccc2c(c1)CCCN2CCC[C@@](C)([NH3+])CO ZINC000085216376 135035632 /nfs/dbraw/zinc/03/56/32/135035632.db2.gz GCGOUNDEHSZOPP-MRXNPFEDSA-N 1 0 262.397 2.238 10 0 CEAERO C[C@H]1CCC[C@]1(C[NH3+])N1CCN(c2ccc(F)cc2)CC1 ZINC000086676387 135048626 /nfs/dbraw/zinc/04/86/26/135048626.db2.gz TZJHAZKQNNNIDU-WMLDXEAASA-N 1 0 291.414 2.465 10 0 CEAERO C[C@@H]1C[C@@H]([NH3+])CN(c2ncccc2Br)C1 ZINC000087043199 135049135 /nfs/dbraw/zinc/04/91/35/135049135.db2.gz BMGNIHXVGRZHGY-RKDXNWHRSA-N 1 0 270.174 2.018 10 0 CEAERO [NH3+][C@@H]1CCN(C(=O)CC[C@H]2CCCO2)c2ccccc21 ZINC000087203557 135049175 /nfs/dbraw/zinc/04/91/75/135049175.db2.gz JLPLWRLAZFXJRA-TZMCWYRMSA-N 1 0 274.364 2.382 10 0 CEAERO CN1c2ccc([C@@H]([NH3+])C[C@H]3CCCO3)cc2CCC1=O ZINC000087215155 135049179 /nfs/dbraw/zinc/04/91/79/135049179.db2.gz XZDVWLAFYRWQFK-KGLIPLIRSA-N 1 0 274.364 2.165 10 0 CEAERO Cc1cc2ncnn2c(N2CC[NH2+]CC23CCCCC3)c1 ZINC000088396585 135054182 /nfs/dbraw/zinc/05/41/82/135054182.db2.gz OOIJPENAQKNHCS-UHFFFAOYSA-N 1 0 285.395 2.150 10 0 CEAERO [NH3+]Cc1cc(N2CCC[C@H](C(F)(F)F)C2)ccn1 ZINC000088416197 135054297 /nfs/dbraw/zinc/05/42/97/135054297.db2.gz KGDZHLRZIUMANQ-VIFPVBQESA-N 1 0 259.275 2.319 10 0 CEAERO C[C@@H]1CC[C@H](C)N(c2ccc(C[NH2+]C3CC3)nn2)C1 ZINC000088710956 135056436 /nfs/dbraw/zinc/05/64/36/135056436.db2.gz IFJZAKXCVQDDEL-NEPJUHHUSA-N 1 0 260.385 2.353 10 0 CEAERO CCc1cc(CN2C[C@H]([NH3+])Cc3ccccc32)n(CC)n1 ZINC000089188599 135058285 /nfs/dbraw/zinc/05/82/85/135058285.db2.gz BNISYNRXKAGMCD-CQSZACIVSA-N 1 0 284.407 2.355 10 0 CEAERO CCOc1ncnc(N2CCCC[C@H]2CC[NH2+]C)c1C ZINC000090789674 135065529 /nfs/dbraw/zinc/06/55/29/135065529.db2.gz VYMDIHACSKJFFJ-ZDUSSCGKSA-N 1 0 278.400 2.152 10 0 CEAERO CCOc1ncnc(N2CCC(C[NH2+]C3CC3)CC2)c1C ZINC000090789873 135065535 /nfs/dbraw/zinc/06/55/35/135065535.db2.gz NABMBHWWQSWSDM-UHFFFAOYSA-N 1 0 290.411 2.152 10 0 CEAERO [NH3+]Cc1cc(Cl)ccc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905337 135066050 /nfs/dbraw/zinc/06/60/50/135066050.db2.gz FJUMZLVKCISPIL-TXEJJXNPSA-N 1 0 252.745 2.166 10 0 CEAERO Cc1nc(N2CCC(C[NH3+])CC2)ccc1Br ZINC000235982746 135067663 /nfs/dbraw/zinc/06/76/63/135067663.db2.gz ORDRCSKAYOHLHC-UHFFFAOYSA-N 1 0 284.201 2.328 10 0 CEAERO Cc1ccc2c(c1)CCCN2CC[C@H]1C[NH2+]CCO1 ZINC000091313638 135067770 /nfs/dbraw/zinc/06/77/70/135067770.db2.gz HUPBMMUQTQQPAQ-HNNXBMFYSA-N 1 0 260.381 2.126 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(c2ccc(N)c3ncccc23)C1 ZINC000091394446 135068954 /nfs/dbraw/zinc/06/89/54/135068954.db2.gz MMNXNQIINPMJSH-GFCCVEGCSA-N 1 0 270.380 2.347 10 0 CEAERO C[NH+](C)[C@H]1CCCN(c2ccc(N)c3ncccc23)C1 ZINC000091394447 135069092 /nfs/dbraw/zinc/06/90/92/135069092.db2.gz MMNXNQIINPMJSH-LBPRGKRZSA-N 1 0 270.380 2.347 10 0 CEAERO c1ncc(N2CCC[C@H]3CCC[C@@H]32)nc1C[NH2+]C1CC1 ZINC000091422055 135069825 /nfs/dbraw/zinc/06/98/25/135069825.db2.gz PGOIEZIQKNXQSC-DOMZBBRYSA-N 1 0 272.396 2.498 10 0 CEAERO Cc1cccc(N2CCN(C[C@@H]3CC[NH2+][C@H]3C)CC2)c1 ZINC000092957676 135077305 /nfs/dbraw/zinc/07/73/05/135077305.db2.gz FBORPFHERXNERL-HOTGVXAUSA-N 1 0 273.424 2.115 10 0 CEAERO CC[C@H]1CO[C@@H](C)CN1c1cccc(F)c1C[NH3+] ZINC000093395231 135080312 /nfs/dbraw/zinc/08/03/12/135080312.db2.gz ZNYPUEZHHUFQAC-QWRGUYRKSA-N 1 0 252.333 2.288 10 0 CEAERO C[C@@H]1CN(c2cccc(F)c2C(N)=[NH2+])C[C@H](C)S1 ZINC000093408978 135080901 /nfs/dbraw/zinc/08/09/01/135080901.db2.gz GLYSICIOUMYTJB-DTORHVGOSA-N 1 0 267.373 2.440 10 0 CEAERO C[C@H](C[C@@H]1CCC[NH2+]1)Nc1ccc(N2CCOCC2)cc1 ZINC000093462720 135080992 /nfs/dbraw/zinc/08/09/92/135080992.db2.gz NUHRZYJHRFXLTA-ZBFHGGJFSA-N 1 0 289.423 2.466 10 0 CEAERO O[C@@H]1CCC[C@@H]1CC[NH+]1CCN(c2ccccc2)CC1 ZINC000093584344 135081534 /nfs/dbraw/zinc/08/15/34/135081534.db2.gz GFVZILYFMGDYQF-NVXWUHKLSA-N 1 0 274.408 2.360 10 0 CEAERO CC1(C)CC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1=O ZINC000094315153 135085860 /nfs/dbraw/zinc/08/58/60/135085860.db2.gz OFDAUJFVSAEXLF-CQSZACIVSA-N 1 0 287.407 2.209 10 0 CEAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1c1cc(Cl)ncn1 ZINC000094442743 135088831 /nfs/dbraw/zinc/08/88/31/135088831.db2.gz GRKXAIZDWDGZTM-WDEREUQCSA-N 1 0 266.776 2.193 10 0 CEAERO Cc1c(Cl)nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)c1C ZINC000094442684 135089019 /nfs/dbraw/zinc/08/90/19/135089019.db2.gz IRDYOVNYPXPMQH-GFCCVEGCSA-N 1 0 280.803 2.421 10 0 CEAERO [NH3+]CCc1cc(F)c(N2CCN3CCCC[C@@H]3C2)c(F)c1 ZINC000094444545 135089067 /nfs/dbraw/zinc/08/90/67/135089067.db2.gz OWDDHAUALFNDHC-CYBMUJFWSA-N 1 0 295.377 2.141 10 0 CEAERO Fc1ccc2ncnc(N3CC[N@@H+]4CCCC[C@@H]4C3)c2c1 ZINC000301258259 394459123 /nfs/dbraw/zinc/45/91/23/394459123.db2.gz UKONYDGPPPJPNM-CYBMUJFWSA-N 1 0 286.354 2.443 10 0 CEAERO CCC[C@H]([NH3+])C(=O)NC[C@@H](C)Oc1ccccc1C ZINC000236865805 394487389 /nfs/dbraw/zinc/48/73/89/394487389.db2.gz WSSZQSKDINFZAI-OLZOCXBDSA-N 1 0 264.369 2.006 10 0 CEAERO CCc1ccc(C[N@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1 ZINC000246468461 394516310 /nfs/dbraw/zinc/51/63/10/394516310.db2.gz NXIHMIQEIZHTBY-YJBOKZPZSA-N 1 0 288.435 2.402 10 0 CEAERO Brc1cc(CNC2=[NH+]CCS2)co1 ZINC000306525723 394516375 /nfs/dbraw/zinc/51/63/75/394516375.db2.gz RDDAYGZUTAWRBA-UHFFFAOYSA-N 1 0 261.144 2.235 10 0 CEAERO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@H](C)CC(=O)OC(C)(C)C)C1 ZINC000246135008 394509424 /nfs/dbraw/zinc/50/94/24/394509424.db2.gz AGYHKWFBOPPCNZ-MCIONIFRSA-N 1 0 284.444 2.425 10 0 CEAERO Cc1csc(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)n1 ZINC000246168590 394510066 /nfs/dbraw/zinc/51/00/66/394510066.db2.gz FGSCPKGPLPXWQQ-MWLCHTKSSA-N 1 0 282.413 2.302 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)NCc2cccc(C)c2)C1 ZINC000052522749 394557696 /nfs/dbraw/zinc/55/76/96/394557696.db2.gz DWCGBGJTABZNKH-HNNXBMFYSA-N 1 0 275.396 2.279 10 0 CEAERO COc1cccc(CN(C)C(=O)C[C@H]2CCC[NH2+]C2)c1 ZINC000054291218 394560274 /nfs/dbraw/zinc/56/02/74/394560274.db2.gz SSFIUKRJEKEBNH-CYBMUJFWSA-N 1 0 276.380 2.043 10 0 CEAERO CC[C@H]1C[N@H+](CCCc2ccccc2)CCN1C[C@H](C)O ZINC000252321823 394570420 /nfs/dbraw/zinc/57/04/20/394570420.db2.gz ZBRABSTWEOQQHE-WMZOPIPTSA-N 1 0 290.451 2.396 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC(C2CC2)C2CC2)C1 ZINC000247286978 394528251 /nfs/dbraw/zinc/52/82/51/394528251.db2.gz KQDMAIGIWXWTJY-BXUZGUMPSA-N 1 0 279.428 2.203 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccccc2F)C1 ZINC000048769318 394528280 /nfs/dbraw/zinc/52/82/80/394528280.db2.gz HWXWXOAEWMBNIQ-LLVKDONJSA-N 1 0 265.332 2.432 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cccc(OC)c2)C1 ZINC000048769126 394528316 /nfs/dbraw/zinc/52/83/16/394528316.db2.gz SPIOKWRBFGPRCC-ZDUSSCGKSA-N 1 0 277.368 2.301 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccccc2F)C1 ZINC000048768898 394528383 /nfs/dbraw/zinc/52/83/83/394528383.db2.gz YYYZIIIJTIRBPF-ZDUSSCGKSA-N 1 0 279.359 2.109 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc2c1OCCO2 ZINC000247411187 394530325 /nfs/dbraw/zinc/53/03/25/394530325.db2.gz QCKFXWJWMKBASW-HIFRSBDPSA-N 1 0 288.391 2.126 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2nc(C)cs2)C1 ZINC000049210936 394543208 /nfs/dbraw/zinc/54/32/08/394543208.db2.gz MKYYTQJOFQMDEU-SNVBAGLBSA-N 1 0 268.386 2.057 10 0 CEAERO CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000248858995 394548577 /nfs/dbraw/zinc/54/85/77/394548577.db2.gz RFXBYHVDFXLZDR-BYNSBNAKSA-N 1 0 282.428 2.323 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCCNC1=O)c1ccc(F)c(Cl)c1 ZINC000050394794 394555314 /nfs/dbraw/zinc/55/53/14/394555314.db2.gz ZGFJRKOBASEOJQ-QPUJVOFHSA-N 1 0 270.735 2.408 10 0 CEAERO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CC1CC(O)C1 ZINC000091425687 394656982 /nfs/dbraw/zinc/65/69/82/394656982.db2.gz FAOHXUKYIPCWLK-XGNXJENSSA-N 1 0 277.364 2.097 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cnc(Cl)s1 ZINC000094342847 394670561 /nfs/dbraw/zinc/67/05/61/394670561.db2.gz SHTSFNXDHZCVLX-VHSXEESVSA-N 1 0 271.817 2.465 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCOCC(F)(F)F ZINC000093954885 394670661 /nfs/dbraw/zinc/67/06/61/394670661.db2.gz ZVEAKFCDFIGSRG-VXGBXAGGSA-N 1 0 280.334 2.124 10 0 CEAERO Cc1cc(C)n2c(CN3C[C@H]4CCC[N@H+]4C[C@@H]3C)cnc2n1 ZINC000093437476 394665839 /nfs/dbraw/zinc/66/58/39/394665839.db2.gz NTQAMZAUGXIVDO-LSDHHAIUSA-N 1 0 299.422 2.015 10 0 CEAERO Brc1cncc(NCC[C@@H]2CC[NH2+]C2)c1 ZINC000261531597 394602077 /nfs/dbraw/zinc/60/20/77/394602077.db2.gz HGJYUVIWIMVDJJ-VIFPVBQESA-N 1 0 270.174 2.256 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]2CN(c3nccc4occc43)C[C@H]21 ZINC000261575236 394602851 /nfs/dbraw/zinc/60/28/51/394602851.db2.gz YORRBPFBWUTRID-RAIGVLPGSA-N 1 0 257.337 2.391 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)Cc1ccco1 ZINC000079495802 394632209 /nfs/dbraw/zinc/63/22/09/394632209.db2.gz NGRMVGNKKNNMQP-CYBMUJFWSA-N 1 0 281.400 2.397 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(N(C)C)c1 ZINC000113444789 394747886 /nfs/dbraw/zinc/74/78/86/394747886.db2.gz DREZXOUWNQTOMF-XJKSGUPXSA-N 1 0 287.407 2.061 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1c(F)cccc1F ZINC000105872198 394722593 /nfs/dbraw/zinc/72/25/93/394722593.db2.gz UEKSDCZHTFCORB-VHSXEESVSA-N 1 0 278.306 2.222 10 0 CEAERO CC[C@@](C)(O)C[NH2+][C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000119094695 394763679 /nfs/dbraw/zinc/76/36/79/394763679.db2.gz ANUMRISLLDDWCC-IUODEOHRSA-N 1 0 286.416 2.040 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)C[C@@H]1C ZINC000120522876 394780509 /nfs/dbraw/zinc/78/05/09/394780509.db2.gz FKUZPPRXGRVXGS-SQWLQELKSA-N 1 0 294.439 2.228 10 0 CEAERO CCCC[C@@H](C[NH3+])Nc1ccccc1S(C)(=O)=O ZINC000130558727 394890999 /nfs/dbraw/zinc/89/09/99/394890999.db2.gz YCEDQAWHINSVKG-NSHDSACASA-N 1 0 270.398 2.020 10 0 CEAERO CCC(CC)CC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000132238864 394927130 /nfs/dbraw/zinc/92/71/30/394927130.db2.gz ZJVFDZDLUCTRKC-HIFRSBDPSA-N 1 0 284.444 2.116 10 0 CEAERO Cc1cc(N2CCC([N@H+]3CCC[C@@H]3C)CC2)ncn1 ZINC000154928145 395025008 /nfs/dbraw/zinc/02/50/08/395025008.db2.gz MZLXEHSMVKQBTA-ZDUSSCGKSA-N 1 0 260.385 2.238 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCOC1CCC1 ZINC000367862925 394973152 /nfs/dbraw/zinc/97/31/52/394973152.db2.gz LVUWAUNZFREUKO-KGLIPLIRSA-N 1 0 252.402 2.114 10 0 CEAERO CCCC[C@@H](C(=O)OC)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000168810056 395089193 /nfs/dbraw/zinc/08/91/93/395089193.db2.gz ROCAAVSJJBXVNF-KBPBESRZSA-N 1 0 270.417 2.134 10 0 CEAERO CN(C)C(=O)C[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000156726607 395033201 /nfs/dbraw/zinc/03/32/01/395033201.db2.gz QJVVRWYPLKFHJQ-HNNXBMFYSA-N 1 0 260.381 2.378 10 0 CEAERO CC(C)N1CC[C@@H]([N@@H+]2CCC[C@@H]2c2ccco2)C1=O ZINC000177684249 395154273 /nfs/dbraw/zinc/15/42/73/395154273.db2.gz MXERQXVEHOZZKN-CHWSQXEVSA-N 1 0 262.353 2.426 10 0 CEAERO C[C@@H](NC(=O)C1(C)C[NH2+]C1)c1ccc2c(c1)CCCC2 ZINC000399310292 395245047 /nfs/dbraw/zinc/24/50/47/395245047.db2.gz QVCPVLOWNXZDHD-GFCCVEGCSA-N 1 0 272.392 2.352 10 0 CEAERO CO[C@H](C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1)C1CC1 ZINC000400164040 395251399 /nfs/dbraw/zinc/25/13/99/395251399.db2.gz IHRABLPDGOGBGY-RRFJBIMHSA-N 1 0 253.386 2.038 10 0 CEAERO COc1ccc([C@H](C)N[C@@H]2CCC[NH2+][C@@H]2C)cc1OC ZINC000396558096 395216516 /nfs/dbraw/zinc/21/65/16/395216516.db2.gz IYQSUBPSDRWYSB-OUCADQQQSA-N 1 0 278.396 2.495 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)N2CCCC3(CC3)C2)[C@@H](C)C1 ZINC000185846359 395283160 /nfs/dbraw/zinc/28/31/60/395283160.db2.gz NVVVCFGETGYHQF-KBPBESRZSA-N 1 0 279.428 2.301 10 0 CEAERO CCC1(CC)[C@H]([NH2+]Cc2nnc(C3CC3)n2C)C[C@H]1OC ZINC000191370322 395356899 /nfs/dbraw/zinc/35/68/99/395356899.db2.gz VRGBLINZIAJFIR-CHWSQXEVSA-N 1 0 292.427 2.376 10 0 CEAERO C[C@@H](N[C@H](C[NH+](C)C)c1ccccc1)c1ccnn1C ZINC000192246516 395378628 /nfs/dbraw/zinc/37/86/28/395378628.db2.gz HGNCJZKUANAEEI-UKRRQHHQSA-N 1 0 272.396 2.374 10 0 CEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCSC[C@@H](C)C2)C1 ZINC000192345752 395380642 /nfs/dbraw/zinc/38/06/42/395380642.db2.gz RVTQHJLYKSEIBX-MELADBBJSA-N 1 0 299.484 2.110 10 0 CEAERO CCCCOC[C@@H](O)C[NH2+][C@@](C)(CO)C1CCCCC1 ZINC000195178491 395461584 /nfs/dbraw/zinc/46/15/84/395461584.db2.gz HSPIOZILFZYQCV-HOTGVXAUSA-N 1 0 287.444 2.085 10 0 CEAERO CCCCOC[C@@H](O)C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000195219601 395462172 /nfs/dbraw/zinc/46/21/72/395462172.db2.gz PNFSZKNHCYQUJR-QWHCGFSZSA-N 1 0 273.417 2.100 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)Oc2ccccc2)C1 ZINC000194633309 395444309 /nfs/dbraw/zinc/44/43/09/395444309.db2.gz YVMLLBSYTBQRCN-ZIAGYGMSSA-N 1 0 276.380 2.054 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)CCC(=O)c2cccs2)C1 ZINC000194629328 395444529 /nfs/dbraw/zinc/44/45/29/395444529.db2.gz MGOKSFXMACCLDF-LBPRGKRZSA-N 1 0 294.420 2.312 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1C(=O)c1cccc2ccncc21 ZINC000647709888 395747255 /nfs/dbraw/zinc/74/72/55/395747255.db2.gz ZEOULFJAXZKUHV-ZDUSSCGKSA-N 1 0 269.348 2.188 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1cccc2ccncc21 ZINC000647827412 395760672 /nfs/dbraw/zinc/76/06/72/395760672.db2.gz AVKSWMVWMKFHPV-SWLSCSKDSA-N 1 0 269.348 2.092 10 0 CEAERO CCN(CCC(F)(F)F)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000648049378 395819975 /nfs/dbraw/zinc/81/99/75/395819975.db2.gz PLFNMDBJSBPJLI-NXEZZACHSA-N 1 0 266.307 2.162 10 0 CEAERO CC[C@H]1CN(Cc2nccn2C(C)C)CC[C@@H]1[NH3+] ZINC000649416536 396149269 /nfs/dbraw/zinc/14/92/69/396149269.db2.gz CYAUZVOWSWAYKJ-STQMWFEESA-N 1 0 250.390 2.023 10 0 CEAERO O[C@H](C[NH2+]CC[C@@H]1CCCO1)COc1ccccc1Cl ZINC000038096623 400124625 /nfs/dbraw/zinc/12/46/25/400124625.db2.gz YNJDKEDKXADPNM-OLZOCXBDSA-N 1 0 299.798 2.238 10 0 CEAERO C[C@@H]1CCC[C@H](CNC(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000300409168 400328162 /nfs/dbraw/zinc/32/81/62/400328162.db2.gz NFTXQXPKSPZYAH-RFGFWPKPSA-N 1 0 252.402 2.304 10 0 CEAERO CC(C)(NC(=O)[C@@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000388413218 400532145 /nfs/dbraw/zinc/53/21/45/400532145.db2.gz OGMJAFOITVZSPH-GXTWGEPZSA-N 1 0 260.381 2.413 10 0 CEAERO C[C@H](COCc1ccccc1)[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000390634311 400540721 /nfs/dbraw/zinc/54/07/21/400540721.db2.gz CHZYGHDLQRZTSO-DGCLKSJQSA-N 1 0 291.313 2.495 10 0 CEAERO Cc1nc(N2C[C@@H]3CCC[C@]3(C[NH3+])C2)sc1C 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CCc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCC13CCCC3)CC2 ZINC000189161951 153083515 /nfs/dbraw/zinc/08/35/15/153083515.db2.gz BCPIFTXBLTZKAS-QWHCGFSZSA-N 1 0 274.412 2.468 10 0 CEAERO C[C@@H]1C(=O)NCCC[N@H+]1CCCOc1cccc(Cl)c1 ZINC000189266997 153086461 /nfs/dbraw/zinc/08/64/61/153086461.db2.gz HPIUPVPBGGQTSB-GFCCVEGCSA-N 1 0 296.798 2.319 10 0 CEAERO Cc1cnn([C@@H]2CCC[N@H+](C[C@H](O)CC(F)(F)F)C2)c1 ZINC000189220932 153086757 /nfs/dbraw/zinc/08/67/57/153086757.db2.gz HCAQTUOMLGHCIJ-VXGBXAGGSA-N 1 0 291.317 2.142 10 0 CEAERO CSc1ccc(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC000189312164 153089190 /nfs/dbraw/zinc/08/91/90/153089190.db2.gz SVQGNAKBPNRVFQ-GXFFZTMASA-N 1 0 264.394 2.279 10 0 CEAERO C[C@H](O)C1CC[NH+](C[C@@H](O)C2CCCCC2)CC1 ZINC000190539432 153132818 /nfs/dbraw/zinc/13/28/18/153132818.db2.gz IBDFRANYHJWXCA-SWLSCSKDSA-N 1 0 255.402 2.020 10 0 CEAERO C[C@H]1OCCC[C@@H]1C(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000191678854 153186325 /nfs/dbraw/zinc/18/63/25/153186325.db2.gz PCNLCOKMLHYION-HIFRSBDPSA-N 1 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2.286 10 0 CEAERO COCCC[C@H](C)C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000182274692 292381770 /nfs/dbraw/zinc/38/17/70/292381770.db2.gz YOZUBPIUXMRZDD-HOCLYGCPSA-N 1 0 292.423 2.468 10 0 CEAERO C[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000237331056 286907593 /nfs/dbraw/zinc/90/75/93/286907593.db2.gz XQNIQKUXMIHCDG-SNVBAGLBSA-N 1 0 276.336 2.404 10 0 CEAERO CCCN(c1ccncc1Br)[C@H]1CC[NH2+]C1 ZINC000159899814 162320565 /nfs/dbraw/zinc/32/05/65/162320565.db2.gz HMJFYDCOTLXIMF-JTQLQIEISA-N 1 0 284.201 2.422 10 0 CEAERO COc1ccc(CN(C(=O)[C@@H](C)C2C[NH2+]C2)C2CC2)cc1 ZINC000164169537 162334822 /nfs/dbraw/zinc/33/48/22/162334822.db2.gz MAECVSYDVFEMAZ-LBPRGKRZSA-N 1 0 288.391 2.042 10 0 CEAERO Cc1cccc(CC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000171206441 162380907 /nfs/dbraw/zinc/38/09/07/162380907.db2.gz YINRBNKSONWHIQ-INIZCTEOSA-N 1 0 272.392 2.234 10 0 CEAERO C[N@H+](C[Si](C)(C)C)C1CCN(CCn2cccn2)CC1 ZINC000171746308 162391162 /nfs/dbraw/zinc/39/11/62/162391162.db2.gz BEPBETXDEXVJHM-UHFFFAOYSA-N 1 0 294.519 2.157 10 0 CEAERO C[C@H]1CN(Cc2nc(C(C)(C)C)cs2)C[C@H]1[NH3+] ZINC000261540095 162543173 /nfs/dbraw/zinc/54/31/73/162543173.db2.gz DLNIXEWLANJFGE-VHSXEESVSA-N 1 0 253.415 2.220 10 0 CEAERO C[C@@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1ccccc1F ZINC000126687572 165029059 /nfs/dbraw/zinc/02/90/59/165029059.db2.gz CUUFCNNXMQZLFU-GHMZBOCLSA-N 1 0 271.357 2.054 10 0 CEAERO CCSCC[C@@H](C)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000173623331 165077534 /nfs/dbraw/zinc/07/75/34/165077534.db2.gz ZAXKFKIWQGYSFO-CHWSQXEVSA-N 1 0 285.457 2.008 10 0 CEAERO CSCCC[N@@H+]1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000173645679 165077909 /nfs/dbraw/zinc/07/79/09/165077909.db2.gz UFYULHBQOHALKJ-LBPRGKRZSA-N 1 0 269.414 2.386 10 0 CEAERO C[C@@H](NC(=O)c1ccnn1C)c1cccc(-n2ccnc2)c1 ZINC000173925772 165092095 /nfs/dbraw/zinc/09/20/95/165092095.db2.gz JITLFVQXYBJEAQ-GFCCVEGCSA-N 1 0 295.346 2.097 10 0 CEAERO Clc1ccccc1CC[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173935921 165092436 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ZINC000177199308 165189218 /nfs/dbraw/zinc/18/92/18/165189218.db2.gz WGWDRRHCWJVGDN-ZIAGYGMSSA-N 1 0 254.418 2.266 10 0 CEAERO CCn1nc(C)c(NC(=O)N[C@@H]2CCC[N@H+](CC)C2)c1C ZINC000179538974 165284921 /nfs/dbraw/zinc/28/49/21/165284921.db2.gz FPKRIDZVEREFBK-CYBMUJFWSA-N 1 0 293.415 2.126 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCOC(C)C ZINC000182952683 165379629 /nfs/dbraw/zinc/37/96/29/165379629.db2.gz UGSJUYTZCBAVEJ-LSDHHAIUSA-N 1 0 282.428 2.277 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=S)Nc2ccccc2)C1 ZINC000004774216 170014964 /nfs/dbraw/zinc/01/49/64/170014964.db2.gz WDGSTMYQKKBSCO-CYBMUJFWSA-N 1 0 263.410 2.457 10 0 CEAERO Nc1[nH]c2cc([S@@](=O)c3ccccc3)ccc2[nH+]1 ZINC000005117414 170067976 /nfs/dbraw/zinc/06/79/76/170067976.db2.gz IWVYUWQPDMROLN-GOSISDBHSA-N 1 0 257.318 2.312 10 0 CEAERO CC(C)[NH2+]C[C@@H](O)COc1cccc2c1CC=CC2 ZINC000005760541 170137972 /nfs/dbraw/zinc/13/79/72/170137972.db2.gz MMODIROKOSLUHP-CQSZACIVSA-N 1 0 261.365 2.079 10 0 CEAERO Cc1ccc(S(=O)(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000014252476 170628969 /nfs/dbraw/zinc/62/89/69/170628969.db2.gz FPOPXDCFPBRICB-UHFFFAOYSA-N 1 0 296.436 2.146 10 0 CEAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCCCc2ccccc2)C1 ZINC000284499541 196070726 /nfs/dbraw/zinc/07/07/26/196070726.db2.gz DDQJDRSBWWQHGL-JKSUJKDBSA-N 1 0 263.381 2.091 10 0 CEAERO CC(=O)Nc1cccc(NC(=O)c2cccc(C[NH3+])c2)c1 ZINC000019506455 170818570 /nfs/dbraw/zinc/81/85/70/170818570.db2.gz OZTUFEAMPQOKGD-UHFFFAOYSA-N 1 0 283.331 2.356 10 0 CEAERO CC[C@@H]([NH3+])c1ccccc1O[C@@H]1CCCCNC1=O ZINC000019813321 170879814 /nfs/dbraw/zinc/87/98/14/170879814.db2.gz DYTIPFJBKDETCL-TZMCWYRMSA-N 1 0 262.353 2.144 10 0 CEAERO CCN(CC)CC[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC000019919226 170927083 /nfs/dbraw/zinc/92/70/83/170927083.db2.gz WHOSBTMIUOUMJL-UHFFFAOYSA-N 1 0 263.385 2.076 10 0 CEAERO C[C@H]([NH3+])c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000020187957 171052580 /nfs/dbraw/zinc/05/25/80/171052580.db2.gz ZMKKCSGRNGCYBJ-LBPRGKRZSA-N 1 0 282.409 2.271 10 0 CEAERO Cc1cccc(NS(=O)(=O)c2ccc(F)c(C[NH3+])c2)c1 ZINC000020189213 171054811 /nfs/dbraw/zinc/05/48/11/171054811.db2.gz PYZIRGCIXNPFEZ-UHFFFAOYSA-N 1 0 294.351 2.394 10 0 CEAERO COc1cc(C[NH2+]C[C@@H](CC(C)C)N(C)C)ccc1O ZINC000020201061 171064854 /nfs/dbraw/zinc/06/48/54/171064854.db2.gz NRFMIDXRQQZWLA-CQSZACIVSA-N 1 0 280.412 2.467 10 0 CEAERO [NH3+]C[C@@H](c1ccccc1Cl)N1CCSCC1 ZINC000020257093 171111483 /nfs/dbraw/zinc/11/14/83/171111483.db2.gz RJHFPKYMNFDIIM-LBPRGKRZSA-N 1 0 256.802 2.389 10 0 CEAERO [NH3+]C[C@]1(N2CCSCC2)CCCc2ccccc21 ZINC000020257101 171112008 /nfs/dbraw/zinc/11/20/08/171112008.db2.gz WZZBMODWKBWGPS-OAHLLOKOSA-N 1 0 262.422 2.226 10 0 CEAERO c1ccc(CN2CC[C@@H]([NH2+]C[C@@H]3CCCO3)C2)cc1 ZINC000020361834 171160427 /nfs/dbraw/zinc/16/04/27/171160427.db2.gz ZELRJFQILGMINN-CVEARBPZSA-N 1 0 260.381 2.030 10 0 CEAERO CC[C@H](C)NC(=O)[C@H](C)[NH2+]CCc1ccc(OC)cc1 ZINC000020364311 171163277 /nfs/dbraw/zinc/16/32/77/171163277.db2.gz KUOUCYDEYRDUDK-STQMWFEESA-N 1 0 278.396 2.131 10 0 CEAERO CC[C@H]([NH3+])c1ccc(O[C@@H](C)C(=O)NC2CC2)cc1 ZINC000020419560 171184213 /nfs/dbraw/zinc/18/42/13/171184213.db2.gz LGMHPDZSCBEYOQ-HZMBPMFUSA-N 1 0 262.353 2.142 10 0 CEAERO CCCCNC(=O)[C@@H](C)Oc1ccccc1[C@@H](C)[NH3+] ZINC000020419432 171184228 /nfs/dbraw/zinc/18/42/28/171184228.db2.gz UBRXHDOVQAESCQ-VXGBXAGGSA-N 1 0 264.369 2.390 10 0 CEAERO O=C(Nc1ccc(F)cc1Br)[C@H]1CCC[NH2+]1 ZINC000020430934 171195562 /nfs/dbraw/zinc/19/55/62/171195562.db2.gz LGRVYSKDFIPLTO-SNVBAGLBSA-N 1 0 287.132 2.279 10 0 CEAERO Cc1cc(C)n(-c2nc3ccccc3cc2C[NH3+])n1 ZINC000020469819 171211464 /nfs/dbraw/zinc/21/14/64/171211464.db2.gz JUQGWOVMXBOFIZ-UHFFFAOYSA-N 1 0 252.321 2.496 10 0 CEAERO CC(C)CCCO[C@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000020511632 171230910 /nfs/dbraw/zinc/23/09/10/171230910.db2.gz CJKZKSJWFFFAMG-OLZOCXBDSA-N 1 0 257.374 2.062 10 0 CEAERO S=C1N=NCN1C1CC[NH+](Cc2ccccc2)CC1 ZINC000020583243 171257763 /nfs/dbraw/zinc/25/77/63/171257763.db2.gz IVPALUTUPRYAAQ-UHFFFAOYSA-N 1 0 274.393 2.404 10 0 CEAERO COc1cc([C@@H]2C[C@H]2[C@@H](C)[NH3+])cc(OC)c1OC ZINC000020594452 171263556 /nfs/dbraw/zinc/26/35/56/171263556.db2.gz UBRKUULMDRJAIX-MIMYLULJSA-N 1 0 251.326 2.163 10 0 CEAERO CCC(CC)NS(=O)(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000021516357 171312781 /nfs/dbraw/zinc/31/27/81/171312781.db2.gz UKXAHVYVTWXAQK-JTQLQIEISA-N 1 0 270.398 2.173 10 0 CEAERO Cc1oc(-c2ccccc2C)nc1CN1CC[NH2+]CC1 ZINC000021924531 171337155 /nfs/dbraw/zinc/33/71/55/171337155.db2.gz NSBPENWYCDSJFD-UHFFFAOYSA-N 1 0 271.364 2.364 10 0 CEAERO COc1ccc([C@@H](C)N2CCC[NH2+]CC2)cc1F ZINC000022108514 171352861 /nfs/dbraw/zinc/35/28/61/171352861.db2.gz DAXOBJJGYGTFLP-LLVKDONJSA-N 1 0 252.333 2.191 10 0 CEAERO Cc1cc(N)ccc1NC(=O)CCC[N@@H+]1CCO[C@H](C)C1 ZINC000022152174 171359235 /nfs/dbraw/zinc/35/92/35/171359235.db2.gz QUZJUOODFQWCJY-CYBMUJFWSA-N 1 0 291.395 2.017 10 0 CEAERO Nc1cc(Cl)ccc1NC(=O)CC[NH+]1CCCC1 ZINC000022153644 171360846 /nfs/dbraw/zinc/36/08/46/171360846.db2.gz AZBXXPBPWCXSGA-UHFFFAOYSA-N 1 0 267.760 2.347 10 0 CEAERO C[C@@H](C(=O)Nc1ccc(Cl)cc1N)[NH+]1CCCC1 ZINC000022155253 171361871 /nfs/dbraw/zinc/36/18/71/171361871.db2.gz XCWALNCXRTYMKY-VIFPVBQESA-N 1 0 267.760 2.345 10 0 CEAERO CC[NH+](CC)CCCNC(=O)c1ccc(Cl)cc1N ZINC000022209897 171373101 /nfs/dbraw/zinc/37/31/01/171373101.db2.gz UWGSLPWGKSCPQQ-UHFFFAOYSA-N 1 0 283.803 2.384 10 0 CEAERO C[C@H](OCc1ccco1)C(=O)Nc1ccccc1C[NH3+] ZINC000022211372 171373362 /nfs/dbraw/zinc/37/33/62/171373362.db2.gz FFJNGFRCPHVQGQ-NSHDSACASA-N 1 0 274.320 2.282 10 0 CEAERO [NH3+]C[C@@H](c1ccc(OC(F)F)cc1)N1CCCC1 ZINC000022218880 171376593 /nfs/dbraw/zinc/37/65/93/171376593.db2.gz LUCLYKZLDNVJPJ-LBPRGKRZSA-N 1 0 256.296 2.384 10 0 CEAERO CC(C)[C@@H](C)[NH2+][C@@H](C)C(=O)NC(=O)Nc1ccccc1F ZINC000025253901 171451987 /nfs/dbraw/zinc/45/19/87/171451987.db2.gz NUCYKDCRGJEGCM-MNOVXSKESA-N 1 0 295.358 2.496 10 0 CEAERO CC(C)[C@@H](C)[NH2+][C@H](C)C(=O)NC(=O)Nc1ccccc1F ZINC000025253908 171451994 /nfs/dbraw/zinc/45/19/94/171451994.db2.gz NUCYKDCRGJEGCM-GHMZBOCLSA-N 1 0 295.358 2.496 10 0 CEAERO CCC[NH2+][C@@H](CC)c1ccc(OCC(N)=O)cc1 ZINC000034822887 171876353 /nfs/dbraw/zinc/87/63/53/171876353.db2.gz VJHUYMOLIVINKM-ZDUSSCGKSA-N 1 0 250.342 2.001 10 0 CEAERO CCOCCOc1ccc(C[NH2+]C)cc1OCC ZINC000035063503 171963697 /nfs/dbraw/zinc/96/36/97/171963697.db2.gz CWVJXYHRVSTPHL-UHFFFAOYSA-N 1 0 253.342 2.220 10 0 CEAERO O=C(C[NH2+][C@H]1CCSc2ccccc21)NC1CC1 ZINC000035141801 172009482 /nfs/dbraw/zinc/00/94/82/172009482.db2.gz RASJJESZWJWYCJ-LBPRGKRZSA-N 1 0 262.378 2.092 10 0 CEAERO COCC[NH2+]CC(=O)Nc1c(Cl)cccc1Cl ZINC000035159794 172017822 /nfs/dbraw/zinc/01/78/22/172017822.db2.gz JRLYKFJDHWGWJP-UHFFFAOYSA-N 1 0 277.151 2.168 10 0 CEAERO CC(C)CNC(=O)C[NH2+][C@H]1CCCc2ccccc21 ZINC000035179184 172032502 /nfs/dbraw/zinc/03/25/02/172032502.db2.gz OTHIMNVVCWPJJM-HNNXBMFYSA-N 1 0 260.381 2.426 10 0 CEAERO CC(C)CNC(=O)[C@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC000035180616 172034129 /nfs/dbraw/zinc/03/41/29/172034129.db2.gz BBXIMHIPCQZANR-WFASDCNBSA-N 1 0 260.381 2.424 10 0 CEAERO CCN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CCOc2ccccc21 ZINC000035224767 172069313 /nfs/dbraw/zinc/06/93/13/172069313.db2.gz AWVGXLANOGNAPP-GXTWGEPZSA-N 1 0 276.380 2.357 10 0 CEAERO CCN(CC)c1nc2sccn2c1C[NH2+]C1CC1 ZINC000035429575 172197569 /nfs/dbraw/zinc/19/75/69/172197569.db2.gz LTNKWLNHLWLQEB-UHFFFAOYSA-N 1 0 264.398 2.494 10 0 CEAERO c1cn2c(C[NH2+]C3CC3)c(N3CCSCC3)nc2s1 ZINC000035429999 172197960 /nfs/dbraw/zinc/19/79/60/172197960.db2.gz XEYZBXKVJDQATQ-UHFFFAOYSA-N 1 0 294.449 2.201 10 0 CEAERO CCC[NH2+]Cc1c(-n2ccnc2)nc2sccn12 ZINC000035430376 172198780 /nfs/dbraw/zinc/19/87/80/172198780.db2.gz ZLYATCJOMDEJNR-UHFFFAOYSA-N 1 0 261.354 2.081 10 0 CEAERO CC[C@H](C)N(CC)c1nc2sccn2c1C[NH3+] ZINC000035430240 172198910 /nfs/dbraw/zinc/19/89/10/172198910.db2.gz XMXCWRREVARYKL-VIFPVBQESA-N 1 0 252.387 2.479 10 0 CEAERO C[NH2+][C@@H](c1ccccc1)c1ccc2[nH]c(=O)oc2c1 ZINC000035500620 172234756 /nfs/dbraw/zinc/23/47/56/172234756.db2.gz USQXCUJKHXRIPX-AWEZNQCLSA-N 1 0 254.289 2.430 10 0 CEAERO CC[NH2+][C@H](c1ccco1)c1ccc2c(c1)CC(=O)N2 ZINC000035549831 172257571 /nfs/dbraw/zinc/25/75/71/172257571.db2.gz CDWAIGQLKPCNTO-HNNXBMFYSA-N 1 0 256.305 2.473 10 0 CEAERO CCCNS(=O)(=O)c1cccc([C@H](C)[NH2+]CC)c1 ZINC000035632730 172315789 /nfs/dbraw/zinc/31/57/89/172315789.db2.gz WHJWEVSLGITJTG-NSHDSACASA-N 1 0 270.398 2.045 10 0 CEAERO [NH3+]C[C@@H]1CCCCC[C@@H]1Sc1nnnn1C1CC1 ZINC000035724230 172379510 /nfs/dbraw/zinc/37/95/10/172379510.db2.gz ZOJDICDVZQBPID-ONGXEEELSA-N 1 0 267.402 2.008 10 0 CEAERO C[C@H]1CS(=O)(=O)c2c(Cl)ccc(Cl)c2[C@H]1[NH3+] ZINC000035755725 172396414 /nfs/dbraw/zinc/39/64/14/172396414.db2.gz WFGQKKKDCDCTQF-CDUCUWFYSA-N 1 0 280.176 2.417 10 0 CEAERO C[C@@H]1CS(=O)(=O)c2ccc(C(C)(C)C)cc2[C@H]1[NH3+] ZINC000035755769 172396464 /nfs/dbraw/zinc/39/64/64/172396464.db2.gz SMXCFSTYSGJFKG-RNCFNFMXSA-N 1 0 267.394 2.407 10 0 CEAERO C[C@@H]1C[C@H]([NH2+]C2CC2)c2ccccc2S1(=O)=O ZINC000035760591 172398421 /nfs/dbraw/zinc/39/84/21/172398421.db2.gz SZGOOMLXUMKWPP-SKDRFNHKSA-N 1 0 251.351 2.046 10 0 CEAERO C[NH2+][C@@H]1CCCS(=O)(=O)c2c(Cl)cccc21 ZINC000035761219 172399151 /nfs/dbraw/zinc/39/91/51/172399151.db2.gz FYEIHYXEGQDZLN-SNVBAGLBSA-N 1 0 259.758 2.168 10 0 CEAERO CC[NH2+][C@H]1c2cc(Cl)ccc2S(=O)(=O)C[C@H]1C ZINC000035760913 172399204 /nfs/dbraw/zinc/39/92/04/172399204.db2.gz CFGLDJRGASSOOT-PRHODGIISA-N 1 0 273.785 2.414 10 0 CEAERO CC[NH2+][C@@H]1CCS(=O)(=O)c2c(Cl)cccc21 ZINC000035761237 172399285 /nfs/dbraw/zinc/39/92/85/172399285.db2.gz FZYAKAPRZQINRS-SNVBAGLBSA-N 1 0 259.758 2.168 10 0 CEAERO CC[NH2+][C@H]1c2cccc(Cl)c2S(=O)(=O)C[C@@H]1C ZINC000035761263 172399391 /nfs/dbraw/zinc/39/93/91/172399391.db2.gz ULFOTONYNSPVCY-GZMMTYOYSA-N 1 0 273.785 2.414 10 0 CEAERO O=S1(=O)CC[C@@H]([NH2+]C2CC2)c2cccc(Cl)c21 ZINC000035761186 172399822 /nfs/dbraw/zinc/39/98/22/172399822.db2.gz AWYKIPRLFFDRKF-LLVKDONJSA-N 1 0 271.769 2.311 10 0 CEAERO O[C@]1(c2cn[nH]n2)CC[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000285415388 196277938 /nfs/dbraw/zinc/27/79/38/196277938.db2.gz HCGNEELPQGQFFZ-QGZVFWFLSA-N 1 0 294.358 2.051 10 0 CEAERO O[C@H](c1ccc(Br)s1)[C@H]1CCC[NH2+]1 ZINC000036173445 172493362 /nfs/dbraw/zinc/49/33/62/172493362.db2.gz UCRMLJGIDZLTCE-MUWHJKNJSA-N 1 0 262.172 2.296 10 0 CEAERO O=C(N[C@H]1CC[NH2+]C2(CCCCC2)C1)C1CCC1 ZINC000036260652 172553542 /nfs/dbraw/zinc/55/35/42/172553542.db2.gz REJMJZMDKAYPMH-ZDUSSCGKSA-N 1 0 250.386 2.358 10 0 CEAERO COCCC[NH2+]Cc1cc2c(c(Cl)c1)OCO2 ZINC000036804094 172720738 /nfs/dbraw/zinc/72/07/38/172720738.db2.gz GXJACQJYQMZOAW-UHFFFAOYSA-N 1 0 257.717 2.195 10 0 CEAERO CC(C)C[C@@H]([NH2+]CCc1ccccc1)C(=O)N(C)C ZINC000036923951 172807085 /nfs/dbraw/zinc/80/70/85/172807085.db2.gz VYXPHONCMSFYTE-OAHLLOKOSA-N 1 0 262.397 2.322 10 0 CEAERO CC[C@@H]1C[C@@H](C(=O)N[C@H](CC(C)C)C[NH+](C)C)CCO1 ZINC000248535841 287273445 /nfs/dbraw/zinc/27/34/45/287273445.db2.gz GQEPVXRANJYIOO-RRFJBIMHSA-N 1 0 284.444 2.284 10 0 CEAERO C[NH2+]CC(=O)Nc1c2ncsc2ccc1Cl ZINC000037008179 172866092 /nfs/dbraw/zinc/86/60/92/172866092.db2.gz KHCISSMWRSKJQZ-UHFFFAOYSA-N 1 0 255.730 2.108 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc(OC)c(F)c1 ZINC000037032611 172899667 /nfs/dbraw/zinc/89/96/67/172899667.db2.gz VSICZIQIUDOUEL-BXKDBHETSA-N 1 0 268.332 2.139 10 0 CEAERO NC(=S)c1ccccc1OCCC[NH+]1CCCC1 ZINC000037143817 172982117 /nfs/dbraw/zinc/98/21/17/172982117.db2.gz YSVFLNBQIHBEJX-UHFFFAOYSA-N 1 0 264.394 2.186 10 0 CEAERO COc1cc(C[NH2+][C@H](CC(C)C)CN(C)C)ccc1O ZINC000037166669 173001384 /nfs/dbraw/zinc/00/13/84/173001384.db2.gz MACPWGBMCMVNBR-CQSZACIVSA-N 1 0 280.412 2.467 10 0 CEAERO CN([C@@H](C[NH3+])c1ccc(F)cc1)[C@@H]1CCSC1 ZINC000037174528 173009137 /nfs/dbraw/zinc/00/91/37/173009137.db2.gz XSBJNBJWWATMSG-OLZOCXBDSA-N 1 0 254.374 2.263 10 0 CEAERO CO[C@@H]1CCCC[C@H]1[NH2+]CCCOC[C@@H]1CCCO1 ZINC000037233940 173052992 /nfs/dbraw/zinc/05/29/92/173052992.db2.gz FECLLNNNTSGNAG-RRFJBIMHSA-N 1 0 271.401 2.119 10 0 CEAERO CNC(=O)C[NH2+][C@H](Cc1cccs1)c1cccs1 ZINC000037254200 173065680 /nfs/dbraw/zinc/06/56/80/173065680.db2.gz SRBXINDDBKTLOK-LLVKDONJSA-N 1 0 280.418 2.429 10 0 CEAERO COC1CCN([C@@H](C[NH3+])c2sccc2C)CC1 ZINC000037265854 173074980 /nfs/dbraw/zinc/07/49/80/173074980.db2.gz QFPLNQMZTVSTHM-LBPRGKRZSA-N 1 0 254.399 2.167 10 0 CEAERO COC(=O)C[C@@H]([NH3+])c1cc(Cl)c2c(c1)OCCCO2 ZINC000037324580 173125873 /nfs/dbraw/zinc/12/58/73/173125873.db2.gz DTEMPMJRTOFGCM-SNVBAGLBSA-N 1 0 285.727 2.064 10 0 CEAERO O[C@@H](C[NH2+]C1CC1)COc1cccc(C(F)(F)F)c1 ZINC000037372617 173161648 /nfs/dbraw/zinc/16/16/48/173161648.db2.gz MZFGGZATINEVQJ-NSHDSACASA-N 1 0 275.270 2.197 10 0 CEAERO C[C@@H](Cc1cccs1)[NH2+][C@@H]1CN2CCC1CC2 ZINC000037413572 173190011 /nfs/dbraw/zinc/19/00/11/173190011.db2.gz OAGFITLLABWBJI-SMDDNHRTSA-N 1 0 250.411 2.363 10 0 CEAERO CC(C)n1c2ccc(Br)cc2nc1[C@@H]([NH3+])CO ZINC000037441806 173210795 /nfs/dbraw/zinc/21/07/95/173210795.db2.gz JVORTRNVVWXJBW-VIFPVBQESA-N 1 0 298.184 2.372 10 0 CEAERO C[C@@H]([NH3+])Cc1nc(Cc2ccc(Br)cc2)no1 ZINC000037452945 173219188 /nfs/dbraw/zinc/21/91/88/173219188.db2.gz PIZAJVUPEPYZQJ-MRVPVSSYSA-N 1 0 296.168 2.313 10 0 CEAERO [NH3+][C@H](Cc1ccc(Br)cc1)c1ncccn1 ZINC000037467226 173226448 /nfs/dbraw/zinc/22/64/48/173226448.db2.gz LTAGLHYSGAKORN-LLVKDONJSA-N 1 0 278.153 2.482 10 0 CEAERO C[C@H]([NH2+]Cc1cccs1)C(=O)N1CCCCC1 ZINC000037466964 173226883 /nfs/dbraw/zinc/22/68/83/173226883.db2.gz VVYGVEPMJWPXES-NSHDSACASA-N 1 0 252.383 2.239 10 0 CEAERO C[C@H]([NH3+])CC(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000037476502 173227872 /nfs/dbraw/zinc/22/78/72/173227872.db2.gz WGJRROFXXPGZEJ-IUCAKERBSA-N 1 0 285.185 2.364 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)N[C@@H](C)c1ccccc1F ZINC000037495664 173235016 /nfs/dbraw/zinc/23/50/16/173235016.db2.gz VROMWNJEWMDUQP-QWRGUYRKSA-N 1 0 252.333 2.391 10 0 CEAERO O=C(C[NH2+]C1CC1)N(Cc1ccccc1)CC(F)(F)F ZINC000037495961 173235332 /nfs/dbraw/zinc/23/53/32/173235332.db2.gz BUZLCGISJMJAAI-UHFFFAOYSA-N 1 0 286.297 2.330 10 0 CEAERO CCCN(C(=O)NC1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000037541789 173263881 /nfs/dbraw/zinc/26/38/81/173263881.db2.gz PAHQTCCGTVQGIQ-AWEZNQCLSA-N 1 0 267.417 2.493 10 0 CEAERO COc1ccc(OCc2cscn2)c(CC[NH3+])c1 ZINC000037720045 173638450 /nfs/dbraw/zinc/63/84/50/173638450.db2.gz GWFXRSGILVDPSI-UHFFFAOYSA-N 1 0 264.350 2.232 10 0 CEAERO CCOCCOc1ccc(OC)cc1C[C@@H](C)[NH3+] ZINC000037722726 173641683 /nfs/dbraw/zinc/64/16/83/173641683.db2.gz IIELAHFSYMUVDV-LLVKDONJSA-N 1 0 253.342 2.000 10 0 CEAERO CCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1C[C@H](C)[NH3+] ZINC000037725822 173643938 /nfs/dbraw/zinc/64/39/38/173643938.db2.gz ZPUNRJXAZCADPW-VHSXEESVSA-N 1 0 284.787 2.133 10 0 CEAERO Cc1ccc([C@@H](C)N(C)C(=O)[C@@H]2CCC[NH2+]2)s1 ZINC000037821928 173774918 /nfs/dbraw/zinc/77/49/18/173774918.db2.gz UEWARGRDDAVOCB-MNOVXSKESA-N 1 0 252.383 2.328 10 0 CEAERO CCN(C(=O)[C@@H]1CCC[NH2+]1)[C@@H](C)c1cccc(O)c1 ZINC000037827056 173784914 /nfs/dbraw/zinc/78/49/14/173784914.db2.gz VEHUNYHLQUBUSV-FZMZJTMJSA-N 1 0 262.353 2.054 10 0 CEAERO c1ccc(CN2CC[C@@H]([NH2+]C[C@@H]3CCCOC3)C2)cc1 ZINC000038044565 174052265 /nfs/dbraw/zinc/05/22/65/174052265.db2.gz IKGSWUHIGGAQTL-DLBZAZTESA-N 1 0 274.408 2.277 10 0 CEAERO O[C@@H](C[NH2+]C[C@@H]1CCCOC1)COc1cccc(Cl)c1 ZINC000038045361 174053732 /nfs/dbraw/zinc/05/37/32/174053732.db2.gz AFXVJDCERHOLQF-JSGCOSHPSA-N 1 0 299.798 2.096 10 0 CEAERO CCn1c(C[NH2+]C2CCC(O)CC2)nc2ccccc21 ZINC000038046592 174055393 /nfs/dbraw/zinc/05/53/93/174055393.db2.gz XRLBLROCHSYNKO-UHFFFAOYSA-N 1 0 273.380 2.449 10 0 CEAERO CCn1c(CNCC[NH+](CC)CC)nc2ccccc21 ZINC000038046594 174055436 /nfs/dbraw/zinc/05/54/36/174055436.db2.gz RADUNSFZSURVHX-UHFFFAOYSA-N 1 0 274.412 2.488 10 0 CEAERO Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2[NH3+])cc1F ZINC000038048972 174059818 /nfs/dbraw/zinc/05/98/18/174059818.db2.gz TWCSYWSATWIRFV-QWHCGFSZSA-N 1 0 250.317 2.134 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)/C=C/c1ccc(F)cc1 ZINC000038049543 174060459 /nfs/dbraw/zinc/06/04/59/174060459.db2.gz YGNYVMKZOGGETQ-MUNSZCJHSA-N 1 0 262.328 2.225 10 0 CEAERO CC[C@H](C)[NH2+][C@@](C)(C(N)=O)c1ccc(F)c(F)c1 ZINC000038065551 174075749 /nfs/dbraw/zinc/07/57/49/174075749.db2.gz OUXGOBVCGBOZNS-ISVAXAHUSA-N 1 0 256.296 2.053 10 0 CEAERO CC[NH2+][C@H](C[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000038085302 174095944 /nfs/dbraw/zinc/09/59/44/174095944.db2.gz UEHLKEMALDKZCB-TZMCWYRMSA-N 1 0 267.394 2.162 10 0 CEAERO Cc1csc(CN[C@@H](C)[C@@H]2CCC[N@H+](C)C2)n1 ZINC000038090927 174104725 /nfs/dbraw/zinc/10/47/25/174104725.db2.gz IHJASVSATQNRAZ-NWDGAFQWSA-N 1 0 253.415 2.271 10 0 CEAERO C[C@H]([NH2+]CC[C@@H]1CCCO1)C(=O)Nc1ccccc1 ZINC000038097357 174111281 /nfs/dbraw/zinc/11/12/81/174111281.db2.gz FEDLPFLXYZEFGV-JSGCOSHPSA-N 1 0 262.353 2.172 10 0 CEAERO [NH3+][C@@H]1c2cc(Br)ccc2CCC[C@@H]1O ZINC000039941521 174175705 /nfs/dbraw/zinc/17/57/05/174175705.db2.gz BZTCUTHVQHKBPV-WDEREUQCSA-N 1 0 256.143 2.146 10 0 CEAERO CCOCCCn1c(CCC[NH3+])nc2ccccc21 ZINC000040163857 174196685 /nfs/dbraw/zinc/19/66/85/174196685.db2.gz FWQOAZRMUJVPNC-UHFFFAOYSA-N 1 0 261.369 2.354 10 0 CEAERO C[C@@H]([NH2+][C@@H](C)C(=O)NC1CC1)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000040176549 174201865 /nfs/dbraw/zinc/20/18/65/174201865.db2.gz IQDMBUXPNLTTQD-MOWSAHLDSA-N 1 0 250.386 2.068 10 0 CEAERO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@H]1c1cc(C)no1 ZINC000040468349 174276840 /nfs/dbraw/zinc/27/68/40/174276840.db2.gz BBNTZLHLGKGKKT-GAFUQQFSSA-N 1 0 265.357 2.020 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3cc(N)ccc3o2)C1 ZINC000040501770 174298152 /nfs/dbraw/zinc/29/81/52/174298152.db2.gz DREYDEMPPHDSBV-CYBMUJFWSA-N 1 0 287.363 2.229 10 0 CEAERO Cc1cc(C)c(C[NH3+])c(Oc2ccccc2C(N)=O)n1 ZINC000040509661 174304204 /nfs/dbraw/zinc/30/42/04/174304204.db2.gz UWOBRGBNDJLYLS-UHFFFAOYSA-N 1 0 271.320 2.048 10 0 CEAERO CC[NH+](CC)CCOc1nc(C)cc(C)c1C(N)=S ZINC000040515026 174306347 /nfs/dbraw/zinc/30/63/47/174306347.db2.gz YWHHCLASOORMNR-UHFFFAOYSA-N 1 0 281.425 2.053 10 0 CEAERO Cc1nc(C)c([C@H](C)NC(=O)[C@@H]([NH3+])CC(C)C)s1 ZINC000040519049 174308491 /nfs/dbraw/zinc/30/84/91/174308491.db2.gz NEGDLFVDFPDMOG-ONGXEEELSA-N 1 0 269.414 2.311 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)N[C@@H](C)c1sc(C)nc1C ZINC000040519125 174308644 /nfs/dbraw/zinc/30/86/44/174308644.db2.gz OEJNCZGNEFTQNL-WPRPVWTQSA-N 1 0 269.414 2.325 10 0 CEAERO Cc1nc(C)c([C@@H](C)[NH2+]CC(=O)N(C)C(C)C)s1 ZINC000040518876 174308650 /nfs/dbraw/zinc/30/86/50/174308650.db2.gz NNJCYSYOSXZMCQ-SECBINFHSA-N 1 0 269.414 2.277 10 0 CEAERO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2O)C1 ZINC000040594949 174348387 /nfs/dbraw/zinc/34/83/87/174348387.db2.gz ZAMILWFCUVALJC-JTQLQIEISA-N 1 0 282.771 2.117 10 0 CEAERO [NH3+]Cc1ccc(N2C(=O)C[C@@H](c3ccccc3)C2=O)cc1 ZINC000040605790 174353140 /nfs/dbraw/zinc/35/31/40/174353140.db2.gz FGYPJWOXSRNKJR-HNNXBMFYSA-N 1 0 280.327 2.192 10 0 CEAERO CC1CC[NH+]([C@H](CNC(=O)N(C)C)c2ccco2)CC1 ZINC000040614790 174353563 /nfs/dbraw/zinc/35/35/63/174353563.db2.gz ACJVNPJAEVABPM-CYBMUJFWSA-N 1 0 279.384 2.324 10 0 CEAERO CC(C)(C)[C@H]([NH3+])C(=O)NCc1cc2c(s1)CCC2 ZINC000040627907 174357020 /nfs/dbraw/zinc/35/70/20/174357020.db2.gz NMTYUAFVLFZAFS-GFCCVEGCSA-N 1 0 266.410 2.226 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2cccc3ccccc32)C1 ZINC000040629718 174358004 /nfs/dbraw/zinc/35/80/04/174358004.db2.gz PZWDJMGNFUWRCE-IUODEOHRSA-N 1 0 270.332 2.155 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2cccc(C(C)C)c2)C1 ZINC000040631284 174358538 /nfs/dbraw/zinc/35/85/38/174358538.db2.gz QUQFNSIAIINQRD-KBPBESRZSA-N 1 0 262.353 2.125 10 0 CEAERO CO[C@H]1C[NH2+][C@H](C(=O)Nc2ccc3ccccc3c2)C1 ZINC000040632817 174359155 /nfs/dbraw/zinc/35/91/55/174359155.db2.gz CXHJWEJTUKVPOR-CABCVRRESA-N 1 0 270.332 2.155 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](C(=O)N(C)Cc2ccc(C(C)C)cc2)C1 ZINC000040635089 174360742 /nfs/dbraw/zinc/36/07/42/174360742.db2.gz AMNGRWXICFJVKI-HOTGVXAUSA-N 1 0 290.407 2.145 10 0 CEAERO CCCN(Cc1ccc(C)cc1)C(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000040634718 174360871 /nfs/dbraw/zinc/36/08/71/174360871.db2.gz ZMKUBLHAHSKOAX-HZPDHXFCSA-N 1 0 290.407 2.111 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](c2nc(-c3ccc(F)cc3)c[nH]2)C1 ZINC000040637654 174361693 /nfs/dbraw/zinc/36/16/93/174361693.db2.gz RHFGIMIKHWIFOE-RYUDHWBXSA-N 1 0 261.300 2.265 10 0 CEAERO COc1ccc(C)cc1-c1c[nH]c([C@H]2C[C@@H](OC)C[NH2+]2)n1 ZINC000040637858 174361856 /nfs/dbraw/zinc/36/18/56/174361856.db2.gz BAVDSWXRZJJUBU-DGCLKSJQSA-N 1 0 287.363 2.443 10 0 CEAERO CCN(c1cccc(C)c1)c1nc[nH+]c(NN(C)C)c1N ZINC000040661788 174365867 /nfs/dbraw/zinc/36/58/67/174365867.db2.gz VKXHTXOXQZFKJN-UHFFFAOYSA-N 1 0 286.383 2.414 10 0 CEAERO C[C@H]1CCC[C@@](CNc2ccnc(C(N)=O)c2)([NH+](C)C)C1 ZINC000040670006 174368336 /nfs/dbraw/zinc/36/83/36/174368336.db2.gz HTSBDGDQABQGLK-BLLLJJGKSA-N 1 0 290.411 2.103 10 0 CEAERO Cn1ccc(N[C@@H]2CC[N@H+](CCc3ccccc3)C2)n1 ZINC000040671468 174369198 /nfs/dbraw/zinc/36/91/98/174369198.db2.gz HUPHRDDSGZQLQP-OAHLLOKOSA-N 1 0 270.380 2.149 10 0 CEAERO Cc1n[nH]cc1C[NH2+][C@@H]1CCN(CCc2ccccc2)C1 ZINC000040671496 174369772 /nfs/dbraw/zinc/36/97/72/174369772.db2.gz ZCWVCHGSOFZWSP-QGZVFWFLSA-N 1 0 284.407 2.125 10 0 CEAERO Cc1nnc(N[C@H]2CCC[N@@H+](C)C2)c2ccccc12 ZINC000040673446 174372490 /nfs/dbraw/zinc/37/24/90/174372490.db2.gz AQGSAJUEDQMGMD-LBPRGKRZSA-N 1 0 256.353 2.444 10 0 CEAERO Nc1nc(CN2CCC([NH+]3CCCCC3)CC2)cs1 ZINC000040694060 174377900 /nfs/dbraw/zinc/37/79/00/174377900.db2.gz ABMXVXFEUOQNCC-UHFFFAOYSA-N 1 0 280.441 2.176 10 0 CEAERO Cc1nn([C@@H]2COc3ccccc3[C@H]2[NH3+])c(C)c1C ZINC000040729835 174388364 /nfs/dbraw/zinc/38/83/64/174388364.db2.gz FAKCXUPJEMFVNN-UKRRQHHQSA-N 1 0 257.337 2.442 10 0 CEAERO CCc1c(C)nn(C[C@@H](O)c2ccc(C[NH3+])cc2)c1C ZINC000040731779 174388625 /nfs/dbraw/zinc/38/86/25/174388625.db2.gz RFPQLMLIPHNFNS-MRXNPFEDSA-N 1 0 273.380 2.255 10 0 CEAERO COc1ccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000040740875 174390794 /nfs/dbraw/zinc/39/07/94/174390794.db2.gz RLCBHLWFSXCFFM-FUNVUKJBSA-N 1 0 275.352 2.100 10 0 CEAERO CCN(C(=O)/C=C/c1ccco1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747759 174392743 /nfs/dbraw/zinc/39/27/43/174392743.db2.gz UPYOIJPRAOIEKE-ULJSPXAWSA-N 1 0 274.364 2.424 10 0 CEAERO CN(C)Nc1[nH+]cnc(Sc2ccccc2)c1N ZINC000040759982 174396679 /nfs/dbraw/zinc/39/66/79/174396679.db2.gz VDCVKEMIEIOFCZ-UHFFFAOYSA-N 1 0 261.354 2.099 10 0 CEAERO CC[NH2+]Cc1cnn(-c2ccc(C(F)(F)F)cn2)c1 ZINC000040932415 174436261 /nfs/dbraw/zinc/43/62/61/174436261.db2.gz ZRDLBSPFMDLBEL-UHFFFAOYSA-N 1 0 270.258 2.396 10 0 CEAERO C[C@@H]1C[C@@H](O)C[N@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000401861292 414755453 /nfs/dbraw/zinc/75/54/53/414755453.db2.gz ZCFZPOMDAJCHLW-MCIONIFRSA-N 1 0 253.386 2.181 10 0 CEAERO [NH3+]CCCCC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000070202044 414769770 /nfs/dbraw/zinc/76/97/70/414769770.db2.gz NKNSLSJGJBYHCG-UHFFFAOYSA-N 1 0 250.386 2.056 10 0 CEAERO Fc1ccc(CN2CC[C@H]3OCC[NH2+][C@H]3C2)cc1Cl ZINC000404253516 414777904 /nfs/dbraw/zinc/77/79/04/414777904.db2.gz KNJNNGNZBPWBBA-UONOGXRCSA-N 1 0 284.762 2.042 10 0 CEAERO CC(C)[C@@H]([NH3+])Cc1nc(Cc2cccc(F)c2)no1 ZINC000104068777 414778583 /nfs/dbraw/zinc/77/85/83/414778583.db2.gz BPWVIACPDGZGIV-LBPRGKRZSA-N 1 0 263.316 2.325 10 0 CEAERO CCN(Cc1ccc(C)cc1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000662861959 414779804 /nfs/dbraw/zinc/77/98/04/414779804.db2.gz CGONOTBFMYFTEW-GJZGRUSLSA-N 1 0 260.381 2.471 10 0 CEAERO CC[C@@H]([NH3+])c1noc(-c2c(OC)cccc2OC)n1 ZINC000041122292 174486821 /nfs/dbraw/zinc/48/68/21/174486821.db2.gz DNDTYGWVNXXVFV-MRVPVSSYSA-N 1 0 263.297 2.164 10 0 CEAERO CC[NH2+]Cc1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000041157481 174500979 /nfs/dbraw/zinc/50/09/79/174500979.db2.gz LYWMXQABXXTJKB-GJZGRUSLSA-N 1 0 284.359 2.252 10 0 CEAERO c1[nH]c2ccccc2c1CC[NH2+]CCN1CCCC1 ZINC000041328517 174525031 /nfs/dbraw/zinc/52/50/31/174525031.db2.gz FMKCTMZIBMIGGY-UHFFFAOYSA-N 1 0 257.381 2.396 10 0 CEAERO [NH3+]C1CCC(C(=O)NC[C@H]2CC3CCC2CC3)CC1 ZINC000400127290 414747299 /nfs/dbraw/zinc/74/72/99/414747299.db2.gz SUSSHSHYRKDRDJ-WRHSUISWSA-N 1 0 264.413 2.446 10 0 CEAERO CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H]1CC2CCC1CC2 ZINC000400141685 414747666 /nfs/dbraw/zinc/74/76/66/414747666.db2.gz IGRQEJJPPSOMHL-CLRIEMFWSA-N 1 0 252.402 2.302 10 0 CEAERO Cc1cc(C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)sc1C ZINC000662975672 414815285 /nfs/dbraw/zinc/81/52/85/414815285.db2.gz JZFJMSKDVYWROF-VIFPVBQESA-N 1 0 280.315 2.327 10 0 CEAERO CN(C(=O)c1ccc(Cl)cc1F)[C@H](C[NH3+])C(F)(F)F ZINC000662976563 414816337 /nfs/dbraw/zinc/81/63/37/414816337.db2.gz GRKLGTJZKSDENR-SECBINFHSA-N 1 0 298.667 2.441 10 0 CEAERO Cc1ccccc1CCC(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662980568 414816995 /nfs/dbraw/zinc/81/69/95/414816995.db2.gz QDINUHMTKVEQGM-LBPRGKRZSA-N 1 0 288.313 2.276 10 0 CEAERO CN(C(=O)c1cc2ccccc2[nH]1)[C@@H](C[NH3+])C(F)(F)F ZINC000662986280 414818327 /nfs/dbraw/zinc/81/83/27/414818327.db2.gz KQINACBSQZJBCQ-NSHDSACASA-N 1 0 285.269 2.130 10 0 CEAERO O[C@@H]1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1CCO[C@@H]1CC1(F)F ZINC000660465668 414835080 /nfs/dbraw/zinc/83/50/80/414835080.db2.gz RTCOKTJRIMLJLE-XJFOESAGSA-N 1 0 289.366 2.426 10 0 CEAERO CCC[NH2+][C@@H](C)c1cccc(NC(=O)NCC(=O)OC)c1 ZINC000041710553 174612930 /nfs/dbraw/zinc/61/29/30/174612930.db2.gz WLAMJPMVMGRVDT-NSHDSACASA-N 1 0 293.367 2.042 10 0 CEAERO C[C@@H](COCc1ccccc1)[NH2+]C[C@H](O)CC(F)(F)F ZINC000307951737 414853915 /nfs/dbraw/zinc/85/39/15/414853915.db2.gz UZVSECNVCZJEDZ-WCQYABFASA-N 1 0 291.313 2.495 10 0 CEAERO CNc1ccccc1C(=O)N(CC[NH+](C)C)CC(C)C ZINC000042032881 174633721 /nfs/dbraw/zinc/63/37/21/174633721.db2.gz HIHHBUDQTMBQFC-UHFFFAOYSA-N 1 0 277.412 2.388 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)C1CCCC1 ZINC000653089727 414903862 /nfs/dbraw/zinc/90/38/62/414903862.db2.gz RWXPAVBPCIMRLX-FBIMIBRVSA-N 1 0 278.318 2.079 10 0 CEAERO OC[C@H]([NH2+]Cc1ccnc2ccccc12)C1CCC1 ZINC000657558075 415000879 /nfs/dbraw/zinc/00/08/79/415000879.db2.gz JOTHNDOJRQJWRL-INIZCTEOSA-N 1 0 256.349 2.485 10 0 CEAERO COCCN(c1cccc(Cl)c1C[NH3+])[C@@H](C)COC ZINC000042609271 174822313 /nfs/dbraw/zinc/82/23/13/174822313.db2.gz YCHGGOMJWNEZPE-NSHDSACASA-N 1 0 286.803 2.286 10 0 CEAERO COc1c(C[NH2+]C[C@H](OC)C2CCCC2)c(C)nn1C ZINC000657767708 415074804 /nfs/dbraw/zinc/07/48/04/415074804.db2.gz PLITYYVFIKDGJQ-AWEZNQCLSA-N 1 0 281.400 2.032 10 0 CEAERO [NH3+][C@@H]1c2ccccc2OC[C@H]1N(CC(F)(F)F)C1CC1 ZINC000042748990 174866620 /nfs/dbraw/zinc/86/66/20/174866620.db2.gz RXHWIMWKNGMLII-DGCLKSJQSA-N 1 0 286.297 2.474 10 0 CEAERO CC(C)N(CC(F)(F)F)c1cc(C(N)=[NH2+])ccn1 ZINC000042767613 174869301 /nfs/dbraw/zinc/86/93/01/174869301.db2.gz RSISHQIBQDNOIB-UHFFFAOYSA-N 1 0 260.263 2.143 10 0 CEAERO OCC1CC([NH2+]Cc2csc(-c3ccccn3)n2)C1 ZINC000657813172 415090239 /nfs/dbraw/zinc/09/02/39/415090239.db2.gz RNYZKRWDGSWLPW-UHFFFAOYSA-N 1 0 275.377 2.066 10 0 CEAERO CCN(CC)C(=O)CN(C)[C@H](c1ccc(C)cc1)[C@@H](C)[NH3+] ZINC000042909324 174909895 /nfs/dbraw/zinc/90/98/95/174909895.db2.gz NIPLTYHJUKWJNO-PBHICJAKSA-N 1 0 291.439 2.184 10 0 CEAERO C[C@H]([NH3+])[C@H](Sc1nnnn1C1CC1)c1ccc(F)cc1 ZINC000042943242 174918905 /nfs/dbraw/zinc/91/89/05/174918905.db2.gz FGCGRWQCKBDNCN-UFBFGSQYSA-N 1 0 293.371 2.328 10 0 CEAERO CON(C)[C@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043092250 174964272 /nfs/dbraw/zinc/96/42/72/174964272.db2.gz CFKNJLKNAHZGML-KCJUWKMLSA-N 1 0 273.174 2.331 10 0 CEAERO COc1ccccc1[C@H](OC[C@@H]1CCCO1)[C@@H](C)[NH3+] ZINC000043099469 174967314 /nfs/dbraw/zinc/96/73/14/174967314.db2.gz ORYULRJQJPZHDO-TYNCELHUSA-N 1 0 265.353 2.279 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cccs1)N(C)Cc1cnn(C)c1 ZINC000043105615 174971679 /nfs/dbraw/zinc/97/16/79/174971679.db2.gz YCQHIJXQCBTTEC-TZMCWYRMSA-N 1 0 278.425 2.392 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccsc1)N(C)C[C@@H]1CCCO1 ZINC000043123341 174976577 /nfs/dbraw/zinc/97/65/77/174976577.db2.gz RHDUGQQRHZTSTA-KGYLQXTDSA-N 1 0 254.399 2.247 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1cnn(C)c1)N(C)Cc1cccs1 ZINC000043127226 174978731 /nfs/dbraw/zinc/97/87/31/174978731.db2.gz ZIRSFRMKDFOKAB-MFKMUULPSA-N 1 0 264.398 2.002 10 0 CEAERO Cc1ccc([C@H]([C@@H](C)[NH3+])N(CC(N)=O)C2CCCC2)s1 ZINC000043242800 174989742 /nfs/dbraw/zinc/98/97/42/174989742.db2.gz WQISUOUWERCLHU-ABAIWWIYSA-N 1 0 295.452 2.175 10 0 CEAERO Cc1ccsc1[C@@H](Sc1nc(N)cc(N)n1)[C@@H](C)[NH3+] ZINC000043251591 174993879 /nfs/dbraw/zinc/99/38/79/174993879.db2.gz ZBPLSRITFBWJEV-HQJQHLMTSA-N 1 0 295.437 2.192 10 0 CEAERO CC[NH2+][C@@H](c1cc(F)ccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000043300841 175001720 /nfs/dbraw/zinc/00/17/20/175001720.db2.gz NZNDIZALWDLGQX-NOZJJQNGSA-N 1 0 289.347 2.050 10 0 CEAERO CCCCC[C@H]([NH2+]CCC)[C@H]1CCS(=O)(=O)C1 ZINC000043301418 175002166 /nfs/dbraw/zinc/00/21/66/175002166.db2.gz CAWASYISNPXUTH-STQMWFEESA-N 1 0 261.431 2.370 10 0 CEAERO Cc1c(F)cccc1NC(=O)[C@H]1CC[C@H](C)[NH2+]C1 ZINC000043322301 175006078 /nfs/dbraw/zinc/00/60/78/175006078.db2.gz FBEFEOHNPQNELB-ONGXEEELSA-N 1 0 250.317 2.461 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccco1)N1CCC(OC)CC1 ZINC000043334789 175010808 /nfs/dbraw/zinc/01/08/08/175010808.db2.gz FOMZZAKDIRAYMZ-TZMCWYRMSA-N 1 0 252.358 2.169 10 0 CEAERO C[C@H]([NH3+])[C@H](c1ccco1)n1cc(Br)cn1 ZINC000043336465 175012475 /nfs/dbraw/zinc/01/24/75/175012475.db2.gz VLIYRCUKBKOVJJ-OIBJUYFYSA-N 1 0 270.130 2.175 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccccn1)N1CCCC[C@@H]1CCO ZINC000043338902 175013134 /nfs/dbraw/zinc/01/31/34/175013134.db2.gz ANYDRRHYQMWZAO-IIAWOOMASA-N 1 0 277.412 2.097 10 0 CEAERO C[C@H]([NH3+])[C@H](c1ccccn1)N(CC(F)(F)F)C1CC1 ZINC000043341181 175015388 /nfs/dbraw/zinc/01/53/88/175015388.db2.gz HCZATDYWNLTTID-JOYOIKCWSA-N 1 0 273.302 2.497 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Oc1ccc(CO)cc1)c1ccccn1 ZINC000043343999 175016174 /nfs/dbraw/zinc/01/61/74/175016174.db2.gz BZRRSZBGQWGLIC-GOEBONIOSA-N 1 0 272.348 2.431 10 0 CEAERO CC(=O)Nc1ccccc1O[C@@H](C[NH3+])c1cccnc1 ZINC000043349937 175019178 /nfs/dbraw/zinc/01/91/78/175019178.db2.gz OCMKTGAXWSZQAG-HNNXBMFYSA-N 1 0 271.320 2.119 10 0 CEAERO CC[C@H]([NH3+])[C@@H](OC[C@@H]1CCCCO1)c1cccnc1 ZINC000043350308 175019373 /nfs/dbraw/zinc/01/93/73/175019373.db2.gz DNQPJQMYAANZRQ-KKUMJFAQSA-N 1 0 264.369 2.446 10 0 CEAERO CCCCOCCO[C@@H](c1cccnc1)[C@H](C)[NH3+] ZINC000043350761 175019653 /nfs/dbraw/zinc/01/96/53/175019653.db2.gz AGQJGVKAZFSWEV-GXTWGEPZSA-N 1 0 252.358 2.303 10 0 CEAERO [NH3+]C[C@H](c1ccncc1)N(CC(F)(F)F)C1CC1 ZINC000043354823 175021983 /nfs/dbraw/zinc/02/19/83/175021983.db2.gz VHYVVVWFHJFQGB-LLVKDONJSA-N 1 0 259.275 2.108 10 0 CEAERO CCOC(=O)CS[C@H](c1ccncc1)[C@@H]([NH3+])CC ZINC000043363482 175024057 /nfs/dbraw/zinc/02/40/57/175024057.db2.gz MMWBVLVPNYYCSX-WCQYABFASA-N 1 0 268.382 2.156 10 0 CEAERO Cc1cc(=O)[nH]c(S[C@@H](c2ccncc2)[C@H](C)[NH3+])n1 ZINC000043363224 175024276 /nfs/dbraw/zinc/02/42/76/175024276.db2.gz FIFJJENGPVRRGX-JOYOIKCWSA-N 1 0 276.365 2.066 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)N1CCOC[C@@H]1C ZINC000043364176 175024723 /nfs/dbraw/zinc/02/47/23/175024723.db2.gz YFYZDLWKUVLLJN-JKOKRWQUSA-N 1 0 252.358 2.087 10 0 CEAERO Cc1ccc([C@H]([C@H](C)[NH3+])N(C)CC(F)(F)F)o1 ZINC000043364515 175025367 /nfs/dbraw/zinc/02/53/67/175025367.db2.gz QGKQUQYIWJXEPX-WPRPVWTQSA-N 1 0 250.264 2.470 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)N(CCO)C(C)C ZINC000043365151 175026307 /nfs/dbraw/zinc/02/63/07/175026307.db2.gz BYPBSFOAMSFIET-TZMCWYRMSA-N 1 0 254.374 2.069 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1nnnn1C1CC1)c1ccc(C)o1 ZINC000043367346 175027546 /nfs/dbraw/zinc/02/75/46/175027546.db2.gz LKKAEFBWTXKBTI-ZYHUDNBSSA-N 1 0 293.396 2.480 10 0 CEAERO Cc1ccc([C@H](Sc2nccc(=O)[nH]2)[C@@H](C)[NH3+])o1 ZINC000043367479 175027859 /nfs/dbraw/zinc/02/78/59/175027859.db2.gz QXHVBYRIUMMTKN-LDYMZIIASA-N 1 0 265.338 2.264 10 0 CEAERO CC[C@H]([NH3+])[C@H](N(C)CCc1ccccn1)C(F)(F)F ZINC000043376776 175030030 /nfs/dbraw/zinc/03/00/30/175030030.db2.gz POCHRIQZEUHCOF-RYUDHWBXSA-N 1 0 275.318 2.224 10 0 CEAERO Cc1occc1CN(C)[C@H]([C@@H](C)[NH3+])C(F)(F)F ZINC000043378258 175030393 /nfs/dbraw/zinc/03/03/93/175030393.db2.gz NFYJVFLEMRZRFQ-GMSGAONNSA-N 1 0 250.264 2.298 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1nccn1C)C(F)(F)F ZINC000043385503 175032125 /nfs/dbraw/zinc/03/21/25/175032125.db2.gz ZSNDHUHAMBZXNX-BQBZGAKWSA-N 1 0 253.293 2.180 10 0 CEAERO COCCN([C@@H](C[NH3+])c1cc(C)cc(C)c1)C1CC1 ZINC000043394434 175034699 /nfs/dbraw/zinc/03/46/99/175034699.db2.gz CBNPXLAMTDSKLL-INIZCTEOSA-N 1 0 262.397 2.414 10 0 CEAERO CC[C@@H]1COCCN1[C@@H](C[NH3+])c1cc(C)cc(C)c1 ZINC000043394194 175034741 /nfs/dbraw/zinc/03/47/41/175034741.db2.gz YOAANWQHGWGEGJ-CVEARBPZSA-N 1 0 262.397 2.414 10 0 CEAERO Cc1cc(C)cc([C@@H](CN)[N@@H+](C)C2CCOCC2)c1 ZINC000043394188 175034907 /nfs/dbraw/zinc/03/49/07/175034907.db2.gz MOQPAOFPUAJJRA-MRXNPFEDSA-N 1 0 262.397 2.414 10 0 CEAERO Cc1cc(C)cc([C@H](C[NH3+])N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000043393798 175035261 /nfs/dbraw/zinc/03/52/61/175035261.db2.gz ZVRCZKSRRYWBCB-LZWOXQAQSA-N 1 0 262.397 2.412 10 0 CEAERO CC(C)n1c2cccc(F)c2nc1[C@H]1C[NH2+]CCO1 ZINC000043705120 175099058 /nfs/dbraw/zinc/09/90/58/175099058.db2.gz MCSHUNHRLZAWER-GFCCVEGCSA-N 1 0 263.316 2.417 10 0 CEAERO CC(C)n1c2ccc(F)cc2nc1[C@@H]1C[NH2+]CCO1 ZINC000043705085 175099081 /nfs/dbraw/zinc/09/90/81/175099081.db2.gz LILCAVKEGSMUEG-ZDUSSCGKSA-N 1 0 263.316 2.417 10 0 CEAERO CCCn1c2ccc(C)cc2nc1[C@H]1C[NH2+]CCO1 ZINC000043710857 175103548 /nfs/dbraw/zinc/10/35/48/175103548.db2.gz CZIZUQSIZFMLBS-CQSZACIVSA-N 1 0 259.353 2.416 10 0 CEAERO CC[NH2+][C@H](CN1CCOCC1)c1cc(C)ccc1C ZINC000043808392 175108855 /nfs/dbraw/zinc/10/88/55/175108855.db2.gz YPBVHQMUDIAWRV-MRXNPFEDSA-N 1 0 262.397 2.286 10 0 CEAERO C[NH2+][C@@H](CN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1OC ZINC000043811290 175110285 /nfs/dbraw/zinc/11/02/85/175110285.db2.gz WJHHLMJMXVRNBD-GUTXKFCHSA-N 1 0 278.396 2.065 10 0 CEAERO CC[NH2+][C@@H]1CCC2(C[C@@H]1N1CCCCCC1)OCCO2 ZINC000043812219 175111043 /nfs/dbraw/zinc/11/10/43/175111043.db2.gz VSUDZEXNMLIKSM-CABCVRRESA-N 1 0 282.428 2.136 10 0 CEAERO CC[NH2+][C@@H](CN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1OC ZINC000043811489 175111188 /nfs/dbraw/zinc/11/11/88/175111188.db2.gz NUSHSYIPMFFQJB-LZWOXQAQSA-N 1 0 292.423 2.455 10 0 CEAERO CCC[NH2+][C@H]1CCOC[C@H]1N(C)Cc1ccccc1 ZINC000043816614 175112196 /nfs/dbraw/zinc/11/21/96/175112196.db2.gz LNJGZZAISCAXTR-JKSUJKDBSA-N 1 0 262.397 2.276 10 0 CEAERO CC[NH2+][C@H]1CCC2(C[C@H]1N(C)C1CCCC1)OCCO2 ZINC000043884043 175116399 /nfs/dbraw/zinc/11/63/99/175116399.db2.gz PWLOGUKLHURVJH-LSDHHAIUSA-N 1 0 282.428 2.135 10 0 CEAERO CCCN(C)C[C@@H]([NH2+]C)c1ccc2c(c1)OCCO2 ZINC000043885886 175117000 /nfs/dbraw/zinc/11/70/00/175117000.db2.gz SJQDYNSBLKWBGC-CYBMUJFWSA-N 1 0 264.369 2.060 10 0 CEAERO CCC[NH2+][C@@H]1c2ccccc2C[C@@H]1N1CCOC[C@@H]1C ZINC000043891820 175118516 /nfs/dbraw/zinc/11/85/16/175118516.db2.gz ALDQNSSGSXJROF-RRQGHBQHSA-N 1 0 274.408 2.373 10 0 CEAERO C[NH2+][C@H](CN(C)Cc1ccccn1)c1ccccc1 ZINC000043894231 175119623 /nfs/dbraw/zinc/11/96/23/175119623.db2.gz DUIZYACJWVXKCG-MRXNPFEDSA-N 1 0 255.365 2.474 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2OC[C@@H]1N1CCOC(C)(C)C1 ZINC000043897923 175120599 /nfs/dbraw/zinc/12/05/99/175120599.db2.gz OZBBHTATHIJUDM-GOEBONIOSA-N 1 0 290.407 2.209 10 0 CEAERO CC[NH2+][C@@H](CN1CCOC[C@@H]1CC)c1ccccc1 ZINC000043899116 175121500 /nfs/dbraw/zinc/12/15/00/175121500.db2.gz MCVWOZSBJNPICP-HOTGVXAUSA-N 1 0 262.397 2.448 10 0 CEAERO C[NH2+][C@H]1c2ccccc2CC[C@@H]1N(C)C1CCOCC1 ZINC000043898291 175121538 /nfs/dbraw/zinc/12/15/38/175121538.db2.gz DMNYNVWLQFGKDT-IRXDYDNUSA-N 1 0 274.408 2.373 10 0 CEAERO C[NH2+][C@@H](CN(C)C1CCOCC1)c1cc(C)ccc1OC ZINC000043898241 175121554 /nfs/dbraw/zinc/12/15/54/175121554.db2.gz SNNCPFKQOAHAHU-INIZCTEOSA-N 1 0 292.423 2.375 10 0 CEAERO C[NH2+][C@H](CN(C)CC(F)(F)F)c1cccc(OC)c1 ZINC000043900600 175122080 /nfs/dbraw/zinc/12/20/80/175122080.db2.gz OQNSZAABBSYADV-GFCCVEGCSA-N 1 0 276.302 2.450 10 0 CEAERO CC[NH2+][C@H]1CCCC[C@H]1N1C[C@@H](C)OC[C@@H]1CC ZINC000043914184 175124111 /nfs/dbraw/zinc/12/41/11/175124111.db2.gz UANSAQAYDKJZAJ-CBBWQLFWSA-N 1 0 254.418 2.406 10 0 CEAERO C[NH2+][C@H](CN(C)C[C@@H]1CCCO1)c1ccc(OC)cc1 ZINC000043965835 175127150 /nfs/dbraw/zinc/12/71/50/175127150.db2.gz ZICIGXOBJXALBV-JKSUJKDBSA-N 1 0 278.396 2.067 10 0 CEAERO CCN(C[C@H]1CCCO1)[C@@H]1CCCCC[C@@H]1[NH2+]C ZINC000043966765 175127837 /nfs/dbraw/zinc/12/78/37/175127837.db2.gz RDIATCDSOKCLMG-QLFBSQMISA-N 1 0 254.418 2.408 10 0 CEAERO CC[NH2+][C@@H]1CCCCC[C@H]1N(C)Cc1cnn(C)c1 ZINC000043967239 175128638 /nfs/dbraw/zinc/12/86/38/175128638.db2.gz GGBMLQOBSKLZKM-HUUCEWRRSA-N 1 0 264.417 2.163 10 0 CEAERO CCC[NH2+][C@H]1c2ccccc2OC[C@H]1N(CC)CCOC ZINC000043968810 175129943 /nfs/dbraw/zinc/12/99/43/175129943.db2.gz YIPPNSOTHRWNFY-WBVHZDCISA-N 1 0 292.423 2.457 10 0 CEAERO C[NH2+][C@@H]1CCC2(C[C@H]1N(C)CC1CCCCC1)OCCO2 ZINC000043968233 175129969 /nfs/dbraw/zinc/12/99/69/175129969.db2.gz UPQXOEHFRHKSDH-HZPDHXFCSA-N 1 0 296.455 2.382 10 0 CEAERO CCOc1ccc([C@@H](CN(C)[C@@H](C)COC)[NH2+]C)cc1 ZINC000043969083 175130159 /nfs/dbraw/zinc/13/01/59/175130159.db2.gz VSLJLISSWIIBBD-XJKSGUPXSA-N 1 0 280.412 2.313 10 0 CEAERO CC[C@@H]1CC[C@@H]([NH2+]C)[C@H](N(CCOC)C2CC2)C1 ZINC000043969661 175130528 /nfs/dbraw/zinc/13/05/28/175130528.db2.gz NODBVMLBYZXDED-BPLDGKMQSA-N 1 0 254.418 2.264 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2OC[C@@H]1N(CCOC)C1CC1 ZINC000043970012 175131571 /nfs/dbraw/zinc/13/15/71/175131571.db2.gz WBFJOFAVGRMQJD-DOTOQJQBSA-N 1 0 290.407 2.209 10 0 CEAERO CCC[NH2+][C@H]1CCCC[C@@H]1N(CCOC)C1CC1 ZINC000043970162 175131594 /nfs/dbraw/zinc/13/15/94/175131594.db2.gz LUIOIRRKZJNHKE-GJZGRUSLSA-N 1 0 254.418 2.408 10 0 CEAERO CCC[C@@H]([NH2+]C)[C@H](CC)N(CCCOC)CCOC ZINC000043970917 175131714 /nfs/dbraw/zinc/13/17/14/175131714.db2.gz ROEQHZXISHVCCK-CABCVRRESA-N 1 0 274.449 2.138 10 0 CEAERO Cc1ccc([C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000044117003 175142246 /nfs/dbraw/zinc/14/22/46/175142246.db2.gz PCLGQDVYHIIECX-LZWOXQAQSA-N 1 0 263.381 2.446 10 0 CEAERO Cc1ccc([C@@H](O)C[N@@H+](C)C2CCN(C)CC2)c(C)c1 ZINC000044121175 175142683 /nfs/dbraw/zinc/14/26/83/175142683.db2.gz YNBFWYLPIUHJIR-KRWDZBQOSA-N 1 0 276.424 2.363 10 0 CEAERO CCOc1ccc(OCCN2CCCC[C@H]2C[NH3+])cc1 ZINC000044557729 175202998 /nfs/dbraw/zinc/20/29/98/175202998.db2.gz GLUQMIXDUBGVTB-AWEZNQCLSA-N 1 0 278.396 2.277 10 0 CEAERO [NH3+]Cc1ccc(C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000044673759 175226449 /nfs/dbraw/zinc/22/64/49/175226449.db2.gz ZLLHYTWOYSKHNG-CVEARBPZSA-N 1 0 266.344 2.431 10 0 CEAERO [NH3+][C@H]1CCCc2cc(O[C@@H]3CCCCNC3=O)ccc21 ZINC000044744979 175241629 /nfs/dbraw/zinc/24/16/29/175241629.db2.gz NOKQNDQBEWLDJG-LSDHHAIUSA-N 1 0 274.364 2.070 10 0 CEAERO CC[C@H](C)NC(=O)COc1ccc2c(c1)CCC[C@H]2[NH3+] ZINC000044745048 175241716 /nfs/dbraw/zinc/24/17/16/175241716.db2.gz BQTBOTVCRRRTLN-XHDPSFHLSA-N 1 0 276.380 2.316 10 0 CEAERO C[NH2+][C@H]1CCCc2cc(O[C@@H]3CCCCNC3=O)ccc21 ZINC000044745348 175241832 /nfs/dbraw/zinc/24/18/32/175241832.db2.gz XFOOGOXYAWPDAU-JKSUJKDBSA-N 1 0 288.391 2.331 10 0 CEAERO CC[NH2+][C@@H]1CCCc2cc(OC[C@@H]3CNC(=O)O3)ccc21 ZINC000044745575 175241873 /nfs/dbraw/zinc/24/18/73/175241873.db2.gz MFFSPQYMKAPHAV-DZGCQCFKSA-N 1 0 290.363 2.161 10 0 CEAERO C[C@H]1[C@H](NC(=O)C2(C[NH3+])CCCC2)CCC[C@@H]1C ZINC000044753505 175245892 /nfs/dbraw/zinc/24/58/92/175245892.db2.gz SLIYIKPDYYSAHY-YNEHKIRRSA-N 1 0 252.402 2.446 10 0 CEAERO CCOc1ccc(NC(=O)[C@@H](CC)C[NH3+])cc1OCC ZINC000044798651 175255285 /nfs/dbraw/zinc/25/52/85/175255285.db2.gz AHPHCKSFWRGULN-NSHDSACASA-N 1 0 280.368 2.407 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)N[C@@H](C)CCc1ccccc1 ZINC000044808349 175256857 /nfs/dbraw/zinc/25/68/57/175256857.db2.gz PEZAYTMXUDFHCO-ZFWWWQNUSA-N 1 0 262.397 2.499 10 0 CEAERO CCCC[C@@H](CC)C[NH2+][C@]1(C)CCS(=O)(=O)C1 ZINC000044929926 175279669 /nfs/dbraw/zinc/27/96/69/175279669.db2.gz MTUWWHVHSZWOMM-CHWSQXEVSA-N 1 0 261.431 2.370 10 0 CEAERO CCN(Cc1ccccc1)[C@](C)(C[NH3+])CCOC ZINC000045043151 175294940 /nfs/dbraw/zinc/29/49/40/175294940.db2.gz YUBXSMWAIWSOQY-HNNXBMFYSA-N 1 0 250.386 2.262 10 0 CEAERO C[NH2+]Cc1ccc(S(=O)(=O)NC2(C)CCCCC2)cc1 ZINC000045047343 175296643 /nfs/dbraw/zinc/29/66/43/175296643.db2.gz ORKFOLPLTYHMMC-UHFFFAOYSA-N 1 0 296.436 2.407 10 0 CEAERO CCCNC(=O)CC[NH2+]Cc1c(C)nc2scc(C)n12 ZINC000045072697 175301674 /nfs/dbraw/zinc/30/16/74/175301674.db2.gz NRDPZHLIECVNGQ-UHFFFAOYSA-N 1 0 294.424 2.019 10 0 CEAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+]CCOCCC(C)C ZINC000045106869 175308199 /nfs/dbraw/zinc/30/81/99/175308199.db2.gz NRCLKOFSCVYILD-CYBMUJFWSA-N 1 0 272.433 2.332 10 0 CEAERO C[C@@H](Cn1c(N)nc2cc(Cl)ccc21)[NH+](C)C ZINC000045108633 175308935 /nfs/dbraw/zinc/30/89/35/175308935.db2.gz QJZZFKQIPIFXJI-QMMMGPOBSA-N 1 0 252.749 2.222 10 0 CEAERO COc1nc(N(C)C)sc1C[NH2+][C@@H]1CC1(C)C ZINC000045117115 175311427 /nfs/dbraw/zinc/31/14/27/175311427.db2.gz SPAHEEMHLDXXEM-SECBINFHSA-N 1 0 255.387 2.106 10 0 CEAERO CC(C)C[C@@H]1CSC(NCc2cnn(C)c2)=[NH+]1 ZINC000045136098 175313420 /nfs/dbraw/zinc/31/34/20/175313420.db2.gz YAIQIGHJQFEPSE-LLVKDONJSA-N 1 0 252.387 2.027 10 0 CEAERO C[NH2+][C@@H](C)c1cccc(S(=O)(=O)N[C@@H]2CC2(C)C)c1 ZINC000045138142 175314744 /nfs/dbraw/zinc/31/47/44/175314744.db2.gz VCVGZIUKYQPSCO-GXFFZTMASA-N 1 0 282.409 2.044 10 0 CEAERO C[C@H](C(N)=S)[N@H+](C)Cc1ccc2ncccc2c1 ZINC000045147137 175317467 /nfs/dbraw/zinc/31/74/67/175317467.db2.gz SAYOPTCASYUUKJ-SNVBAGLBSA-N 1 0 259.378 2.341 10 0 CEAERO Cc1nn(C)c(C)c1[C@H](C)[NH2+][C@H](C)C(=O)N1CCCCC1 ZINC000045171786 175321181 /nfs/dbraw/zinc/32/11/81/175321181.db2.gz KOMYYBGBODCSDZ-WCQYABFASA-N 1 0 292.427 2.089 10 0 CEAERO Cc1nn(C)c(C)c1[C@H](C)[NH2+][C@H](C)CN1CCCC1 ZINC000045172384 175321726 /nfs/dbraw/zinc/32/17/26/175321726.db2.gz XRZSKUYQGWIJPJ-NEPJUHHUSA-N 1 0 264.417 2.172 10 0 CEAERO CCCC[N@H+](C)C[C@](NCC)(C(=O)OC)c1ccccc1 ZINC000045221925 175330809 /nfs/dbraw/zinc/33/08/09/175330809.db2.gz KLVNYNJPEZQCQZ-QGZVFWFLSA-N 1 0 292.423 2.396 10 0 CEAERO CCCN[C@@](C)(CC[NH+]1CCC(C)CC1)C(=O)OCC ZINC000045225563 175332592 /nfs/dbraw/zinc/33/25/92/175332592.db2.gz RFMQHGRBVNYSQK-INIZCTEOSA-N 1 0 284.444 2.430 10 0 CEAERO CCOC(=O)[C@](C)(CC[NH+]1CCC(C)CC1)NC1CC1 ZINC000045225600 175333050 /nfs/dbraw/zinc/33/30/50/175333050.db2.gz WNHZAAUEZSFTFR-INIZCTEOSA-N 1 0 282.428 2.182 10 0 CEAERO CC(C)[NH2+][C@](C)(CC[NH+]1CCCCCC1)C(=O)[O-] ZINC000045228847 175334014 /nfs/dbraw/zinc/33/40/14/175334014.db2.gz LRZGKQZBUNTULZ-CQSZACIVSA-N 1 0 256.390 2.094 10 0 CEAERO CN[C@](C[NH+]1CCCCCC1)(C(=O)OC)c1ccccc1 ZINC000045228677 175334216 /nfs/dbraw/zinc/33/42/16/175334216.db2.gz UZIBNHANKOYSPS-KRWDZBQOSA-N 1 0 290.407 2.150 10 0 CEAERO C[N@H+](CC[C@@](C)([NH2+]C1CC1)C(=O)[O-])C1CCCCC1 ZINC000045231237 175334552 /nfs/dbraw/zinc/33/45/52/175334552.db2.gz SHICIAIPJPNFBO-OAHLLOKOSA-N 1 0 268.401 2.236 10 0 CEAERO CCN[C@](C[N@H+](C)CC(C)C)(C(=O)OC)c1ccccc1 ZINC000045263463 175337460 /nfs/dbraw/zinc/33/74/60/175337460.db2.gz KAIWODNOHMZWET-KRWDZBQOSA-N 1 0 292.423 2.252 10 0 CEAERO CCCN[C@@](C)(C[N@H+](CC)CC(C)C)C(=O)OCC ZINC000045264123 175337999 /nfs/dbraw/zinc/33/79/99/175337999.db2.gz NDWLKHYPTCZDIM-HNNXBMFYSA-N 1 0 272.433 2.286 10 0 CEAERO CCC[N@H+](C)C[C@](NC1CC1)(C(=O)OC)c1ccccc1 ZINC000045264346 175338108 /nfs/dbraw/zinc/33/81/08/175338108.db2.gz WVVLTSLNMQDPCY-QGZVFWFLSA-N 1 0 290.407 2.149 10 0 CEAERO CCCN[C@@](C[N@H+](CC)C(C)C)(C(N)=O)c1ccccc1 ZINC000045265421 175338233 /nfs/dbraw/zinc/33/82/33/175338233.db2.gz UBZVVVKOKMXKDO-QGZVFWFLSA-N 1 0 291.439 2.097 10 0 CEAERO CCCN[C@](C)(CC[N@H+](CC)C(C)C)C(=O)OCC ZINC000045265670 175338585 /nfs/dbraw/zinc/33/85/85/175338585.db2.gz IDLCFPVKWTYYEQ-OAHLLOKOSA-N 1 0 272.433 2.428 10 0 CEAERO CCC[NH2+][C@](C)(CC[N@H+](CC)[C@@H](C)CC)C(=O)[O-] ZINC000045266518 175339159 /nfs/dbraw/zinc/33/91/59/175339159.db2.gz FDDKHTORIQEKAH-GXTWGEPZSA-N 1 0 258.406 2.340 10 0 CEAERO CCC[N@H+](CC)C[C@](N)(C(=O)OCC)c1ccccc1 ZINC000045267428 175340242 /nfs/dbraw/zinc/34/02/42/175340242.db2.gz BASVZYWXZWZTTG-MRXNPFEDSA-N 1 0 278.396 2.136 10 0 CEAERO CCOC(=O)[C@](C)(C[N@H+](C)C[C@@H](C)CC)NC1CC1 ZINC000045268409 175340766 /nfs/dbraw/zinc/34/07/66/175340766.db2.gz KHMJMDOWUUAJKS-WFASDCNBSA-N 1 0 270.417 2.038 10 0 CEAERO CCC(CC)[N@H+](C)CC[C@@](C)(NC(C)C)C(=O)OC ZINC000045269748 175341492 /nfs/dbraw/zinc/34/14/92/175341492.db2.gz FZMCYZUIPMQJBI-OAHLLOKOSA-N 1 0 272.433 2.427 10 0 CEAERO CCOC(=O)[C@@](C)(C[N@H+](C)C1CCCCCC1)NC ZINC000045271896 175342313 /nfs/dbraw/zinc/34/23/13/175342313.db2.gz WQIHNBHBSOYIJV-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO COC(=O)[C@@](C)(C[N@H+](CC(C)C)C(C)C)NC1CC1 ZINC000045280721 175350895 /nfs/dbraw/zinc/35/08/95/175350895.db2.gz LNEQNQAYNRCLKM-OAHLLOKOSA-N 1 0 270.417 2.037 10 0 CEAERO CCC1CCC([N@H+](C)C[C@](C)(NC)C(=O)OC)CC1 ZINC000045281094 175351697 /nfs/dbraw/zinc/35/16/97/175351697.db2.gz HHADRFPQLZBVBT-PIMMBPRGSA-N 1 0 270.417 2.038 10 0 CEAERO CC(C)CC[N@H+](C)CC[C@@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045281267 175351727 /nfs/dbraw/zinc/35/17/27/175351727.db2.gz GVEJZKXKPUKJFI-CQSZACIVSA-N 1 0 258.406 2.196 10 0 CEAERO CC(C)N[C@@](C)(CC[N@H+](C)CC1CCCCC1)C(N)=O ZINC000045281680 175352487 /nfs/dbraw/zinc/35/24/87/175352487.db2.gz LLQXGIGEYKZPOP-INIZCTEOSA-N 1 0 283.460 2.131 10 0 CEAERO CCOC(=O)[C@@](C)(C[N@H+](C)CC1CCCCC1)NC ZINC000045281546 175352800 /nfs/dbraw/zinc/35/28/00/175352800.db2.gz BMTXEORPRXYGAN-OAHLLOKOSA-N 1 0 270.417 2.040 10 0 CEAERO COC(=O)[C@](C)(CCC[N@@H+]1CCC[C@@H]1C)NC(C)C ZINC000045367954 175362964 /nfs/dbraw/zinc/36/29/64/175362964.db2.gz FWJHXCSUIWYXQK-ZFWWWQNUSA-N 1 0 270.417 2.181 10 0 CEAERO CCOC(=O)[C@](C)(CCC[NH+]1CCC(C)CC1)NC ZINC000045374949 175365655 /nfs/dbraw/zinc/36/56/55/175365655.db2.gz PKPVJTMIVCSKAE-HNNXBMFYSA-N 1 0 270.417 2.040 10 0 CEAERO CCOC(=O)[C@](C)(CCC[N@H+](C)C(C)C)NC(C)C ZINC000045378093 175367602 /nfs/dbraw/zinc/36/76/02/175367602.db2.gz LGPXAUKBZFLYDJ-HNNXBMFYSA-N 1 0 272.433 2.427 10 0 CEAERO C[NH2+][C@@](C)(CCCC[N@@H+]1CCc2ccccc2C1)C(=O)[O-] ZINC000045378753 175368323 /nfs/dbraw/zinc/36/83/23/175368323.db2.gz MASKSWCOURWEDX-KRWDZBQOSA-N 1 0 290.407 2.278 10 0 CEAERO CC[N@H+](CCC[C@](C)(NC(C)C)C(=O)OC)C(C)C ZINC000045383877 175371030 /nfs/dbraw/zinc/37/10/30/175371030.db2.gz QDRJOADOKOWVBW-HNNXBMFYSA-N 1 0 272.433 2.427 10 0 CEAERO CCCN[C@](C)(CCC[N@H+](C)CC)C(=O)OCC ZINC000045382892 175371074 /nfs/dbraw/zinc/37/10/74/175371074.db2.gz YHSJOUQHNHXWMG-CQSZACIVSA-N 1 0 258.406 2.040 10 0 CEAERO CCOC(=O)[C@](C)(CCC[N@H+](CC)[C@@H](C)CC)NC ZINC000045385467 175371996 /nfs/dbraw/zinc/37/19/96/175371996.db2.gz PAGHWOYZLIUHSN-ZFWWWQNUSA-N 1 0 272.433 2.428 10 0 CEAERO CCOC(=O)[C@](C)(CCCC[N@H+](CC)C1CC1)NC ZINC000045386352 175373151 /nfs/dbraw/zinc/37/31/51/175373151.db2.gz BPJOLEVJCCGIJI-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CCN[C@](C)(CCC[N@H+](C)[C@@H](C)C1CC1)C(=O)OCC ZINC000045393021 175375932 /nfs/dbraw/zinc/37/59/32/175375932.db2.gz NXTMYCZEJILZOA-XJKSGUPXSA-N 1 0 284.444 2.428 10 0 CEAERO CCOC(=O)[C@@](C)(CCC[N@H+](C)CC1CC1)NC(C)C ZINC000045419975 175377817 /nfs/dbraw/zinc/37/78/17/175377817.db2.gz CCRHJZJDIAOQQH-MRXNPFEDSA-N 1 0 284.444 2.428 10 0 CEAERO Cc1cc([C@H](C)[NH2+]C[C@H]2CC(=O)N(C)C2)cs1 ZINC000658241157 415273728 /nfs/dbraw/zinc/27/37/28/415273728.db2.gz KYRFCOONHYISAK-WDEREUQCSA-N 1 0 252.383 2.185 10 0 CEAERO CC[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1cccs1 ZINC000658243661 415277072 /nfs/dbraw/zinc/27/70/72/415277072.db2.gz FOLMJHKFFIANHG-WDEREUQCSA-N 1 0 252.383 2.267 10 0 CEAERO CC(=O)Nc1cccc([C@@H](C)[NH2+]C2CC(CO)C2)c1 ZINC000658351901 415334171 /nfs/dbraw/zinc/33/41/71/415334171.db2.gz QLYXBZSRGIBZCE-CKQAKLJMSA-N 1 0 262.353 2.067 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]C2CC(CO)C2)C12CCCCC2 ZINC000658355148 415335380 /nfs/dbraw/zinc/33/53/80/415335380.db2.gz GQGHKGAPHSABRY-NEXFUWMNSA-N 1 0 267.413 2.475 10 0 CEAERO C[NH2+][C@H](C)C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000659358696 415537499 /nfs/dbraw/zinc/53/74/99/415537499.db2.gz KQYYRYWKUPBHFW-SSDOTTSWSA-N 1 0 261.152 2.218 10 0 CEAERO CO[C@H](CNC(=O)C[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000659381734 415552998 /nfs/dbraw/zinc/55/29/98/415552998.db2.gz FRVGONHOPSMEAA-UKRRQHHQSA-N 1 0 282.428 2.088 10 0 CEAERO COCC[NH2+][C@]1(c2nc(C)cs2)CCO[C@@H](C)C1 ZINC000070369493 175898595 /nfs/dbraw/zinc/89/85/95/175898595.db2.gz RHHIVGUDYPEWFW-WCQYABFASA-N 1 0 270.398 2.082 10 0 CEAERO CC[NH2+][C@H]1COc2cc(O[C@@H](C)COC)ccc21 ZINC000070375891 175899667 /nfs/dbraw/zinc/89/96/67/175899667.db2.gz GXVLKEFQFZQELG-GWCFXTLKSA-N 1 0 251.326 2.143 10 0 CEAERO COC[C@@H](C)Oc1c(Cl)cc(CC[NH3+])cc1OC ZINC000070378023 175899902 /nfs/dbraw/zinc/89/99/02/175899902.db2.gz WXBDTECWWNSYPY-SECBINFHSA-N 1 0 273.760 2.264 10 0 CEAERO CCc1cc(N[C@H]2CCC[NH2+]C2)nc(-c2cccnc2)n1 ZINC000070456518 175940876 /nfs/dbraw/zinc/94/08/76/175940876.db2.gz ONCWNYXHDILOKM-AWEZNQCLSA-N 1 0 283.379 2.265 10 0 CEAERO CCN(c1ccccc1F)[C@]1(C[NH3+])CCCOC1 ZINC000070465182 175945521 /nfs/dbraw/zinc/94/55/21/175945521.db2.gz OSGAJBOSHABYLM-AWEZNQCLSA-N 1 0 252.333 2.160 10 0 CEAERO [NH3+][C@H]1CCC[C@@H](C(=O)N(CC2CC2)CC2CC2)C1 ZINC000070505388 175959188 /nfs/dbraw/zinc/95/91/88/175959188.db2.gz OHZURUWTRJIXBL-KGLIPLIRSA-N 1 0 250.386 2.153 10 0 CEAERO COC(=O)[C@@](C)(C[NH+](CC1CC1)CC1CC1)NC(C)C ZINC000070506909 175959456 /nfs/dbraw/zinc/95/94/56/175959456.db2.gz HSOVDTMNFNHNRQ-MRXNPFEDSA-N 1 0 282.428 2.038 10 0 CEAERO C[C@H]1COc2ccc([C@H]([NH3+])[C@@H]3CCOC3)cc2OC1 ZINC000070509975 175960510 /nfs/dbraw/zinc/96/05/10/175960510.db2.gz KNWRZSVNHCDJKU-NVBFEUDRSA-N 1 0 263.337 2.130 10 0 CEAERO CCCN(CC(F)(F)F)C[C@@](CO)([NH2+]C(C)C)C1CC1 ZINC000070513960 175962476 /nfs/dbraw/zinc/96/24/76/175962476.db2.gz NFMHQOFYORFNSU-ZDUSSCGKSA-N 1 0 296.377 2.400 10 0 CEAERO C[NH2+][C@](C)(CO)CCCCOc1cccc(N(C)C)c1 ZINC000070516828 175965415 /nfs/dbraw/zinc/96/54/15/175965415.db2.gz IPHXAEZEQROZDZ-INIZCTEOSA-N 1 0 280.412 2.272 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)COc1cccc2cccnc21 ZINC000070517800 175965821 /nfs/dbraw/zinc/96/58/21/175965821.db2.gz TVEZNHXWKYZNMG-MRXNPFEDSA-N 1 0 274.364 2.363 10 0 CEAERO CC[NH2+][C@](CO)(COc1ccccc1OCC)C1CC1 ZINC000070518354 175966116 /nfs/dbraw/zinc/96/61/16/175966116.db2.gz BXRROYKMSWUXNE-MRXNPFEDSA-N 1 0 279.380 2.215 10 0 CEAERO C[C@@H](C[C@](C)(O)C[NH3+])Sc1nnc(C2CC2)n1C1CC1 ZINC000070522103 175967617 /nfs/dbraw/zinc/96/76/17/175967617.db2.gz DHRCCLWRWKAOTR-XPTSAGLGSA-N 1 0 296.440 2.071 10 0 CEAERO C[C@@H]1COc2ccc([C@@H](O)[C@@H]3CCC[NH2+]C3)cc2OC1 ZINC000070522243 175967705 /nfs/dbraw/zinc/96/77/05/175967705.db2.gz JRKDTXFIEQRGNV-AXAPSJFSSA-N 1 0 277.364 2.127 10 0 CEAERO CCC[NH2+][C@@H](CC)CN1CCc2ccccc2C1=O ZINC000070536553 175975888 /nfs/dbraw/zinc/97/58/88/175975888.db2.gz JTMXFXCXHHGWPW-AWEZNQCLSA-N 1 0 260.381 2.463 10 0 CEAERO [NH3+][C@@H](Cc1ccccc1F)c1ccc2c(c1)C(=O)NCC2 ZINC000070544624 175978954 /nfs/dbraw/zinc/97/89/54/175978954.db2.gz ADVGTWCQRDCHMG-INIZCTEOSA-N 1 0 284.334 2.354 10 0 CEAERO CCCN(c1ccc(Br)cn1)[C@@H]1CC[NH2+]C1 ZINC000070917504 176011647 /nfs/dbraw/zinc/01/16/47/176011647.db2.gz LDKZRCPMCRPHOV-LLVKDONJSA-N 1 0 284.201 2.422 10 0 CEAERO Cc1ccc([C@@H]2[C@@H]([NH3+])CCC(=O)N2C2CC2)c(C)c1 ZINC000070987303 176018467 /nfs/dbraw/zinc/01/84/67/176018467.db2.gz QEMLYWUMEAOUQU-GOEBONIOSA-N 1 0 258.365 2.457 10 0 CEAERO C[C@H](Cc1ccccc1)N1CCC[C@@H]([NH2+]C2CC2)C1=O ZINC000071031362 176022390 /nfs/dbraw/zinc/02/23/90/176022390.db2.gz SRMZUWLFRWLRNP-CZUORRHYSA-N 1 0 272.392 2.361 10 0 CEAERO CC[NH2+][C@@H]1CCCN([C@@H](C)Cc2ccc(F)cc2)C1=O ZINC000071031273 176022605 /nfs/dbraw/zinc/02/26/05/176022605.db2.gz JZBDXBJCUQRORO-SWLSCSKDSA-N 1 0 278.371 2.357 10 0 CEAERO CC[NH2+][C@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000071032094 176023019 /nfs/dbraw/zinc/02/30/19/176023019.db2.gz KMEHZTSNUUMTKQ-FZMZJTMJSA-N 1 0 264.344 2.487 10 0 CEAERO CC[NH2+][C@H]1CCCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000071032096 176023183 /nfs/dbraw/zinc/02/31/83/176023183.db2.gz KMEHZTSNUUMTKQ-RISCZKNCSA-N 1 0 264.344 2.487 10 0 CEAERO Cc1cccc(OCCN2CCC[C@@H]([NH2+]C(C)C)C2=O)c1 ZINC000071031521 176023214 /nfs/dbraw/zinc/02/32/14/176023214.db2.gz CKOSVGBHZWOJEZ-MRXNPFEDSA-N 1 0 290.407 2.363 10 0 CEAERO C[NH2+][C@@H]1CCCN(CC[C@H](C)c2ccccc2)C1=O ZINC000071031477 176023221 /nfs/dbraw/zinc/02/32/21/176023221.db2.gz RNCLTBFZJKFVRA-DZGCQCFKSA-N 1 0 260.381 2.391 10 0 CEAERO C[C@H](c1ccccc1)N1CCC[C@H]([NH2+]C2CC2)C1=O ZINC000071032699 176023497 /nfs/dbraw/zinc/02/34/97/176023497.db2.gz HZSJSORIBVDVBE-DOMZBBRYSA-N 1 0 258.365 2.491 10 0 CEAERO CC(C)[NH2+][C@@H]1CCCN(CCc2ccccc2)C1=O ZINC000071033101 176023545 /nfs/dbraw/zinc/02/35/45/176023545.db2.gz DSCPSEQZMBHMJF-OAHLLOKOSA-N 1 0 260.381 2.218 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCN1c1ccc(Cl)cc1 ZINC000071032589 176023759 /nfs/dbraw/zinc/02/37/59/176023759.db2.gz KNJCFUBUAXQWSP-LBPRGKRZSA-N 1 0 250.729 2.197 10 0 CEAERO C[NH2+][C@@H]1CCCN([C@H](C)CCc2ccccc2)C1=O ZINC000071035106 176024579 /nfs/dbraw/zinc/02/45/79/176024579.db2.gz DCDTTZPXISRRJD-UKRRQHHQSA-N 1 0 260.381 2.218 10 0 CEAERO CC[NH2+][C@@H]1CCCN(Cc2ccc(F)c(F)c2)C1=O ZINC000071034457 176024666 /nfs/dbraw/zinc/02/46/66/176024666.db2.gz APQOGIZGFHHXJZ-CYBMUJFWSA-N 1 0 268.307 2.065 10 0 CEAERO COc1ccccc1CN1CCC[C@H]([NH2+]C(C)C)C1=O ZINC000071038040 176026580 /nfs/dbraw/zinc/02/65/80/176026580.db2.gz FWYYMKSDEARAET-AWEZNQCLSA-N 1 0 276.380 2.184 10 0 CEAERO CCC[NH2+][C@H]1CCCN(Cc2ccc(OC)cc2)C1=O ZINC000071037687 176026678 /nfs/dbraw/zinc/02/66/78/176026678.db2.gz OIAJDMZWXQPLOW-HNNXBMFYSA-N 1 0 276.380 2.186 10 0 CEAERO CC[C@@H](c1ccccc1)N1CC[C@H]([NH2+]C2CC2)C1=O ZINC000071041849 176028236 /nfs/dbraw/zinc/02/82/36/176028236.db2.gz UOXXCWHLXRNHBV-GJZGRUSLSA-N 1 0 258.365 2.491 10 0 CEAERO CC[NH2+][C@@H]1CCCN(CCc2cccc(C)c2)C1=O ZINC000071041998 176028464 /nfs/dbraw/zinc/02/84/64/176028464.db2.gz RUUMYTPQQANIGK-OAHLLOKOSA-N 1 0 260.381 2.138 10 0 CEAERO CC[NH2+][C@@H]1CCCN(c2cnc3ccccc3c2)C1=O ZINC000071042719 176028593 /nfs/dbraw/zinc/02/85/93/176028593.db2.gz QUOPVXWMVZOQDU-OAHLLOKOSA-N 1 0 269.348 2.340 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCN1c1cnc2ccccc2c1 ZINC000071042711 176028628 /nfs/dbraw/zinc/02/86/28/176028628.db2.gz DUASAYPITBOLSC-OAHLLOKOSA-N 1 0 267.332 2.092 10 0 CEAERO CC[NH2+]C1CCN(C[C@H]2OCCc3ccccc32)CC1 ZINC000071044394 176029629 /nfs/dbraw/zinc/02/96/29/176029629.db2.gz WFXQQFGIBKRULV-QGZVFWFLSA-N 1 0 274.408 2.374 10 0 CEAERO CC[C@@H]([NH3+])Cc1cnn(C[C@H]2OCCc3ccccc32)c1 ZINC000071099191 176033216 /nfs/dbraw/zinc/03/32/16/176033216.db2.gz RBHVMVCITUYREQ-NVXWUHKLSA-N 1 0 285.391 2.477 10 0 CEAERO CC[C@H]1CCC[C@@](CN)([NH+]2CCC(OC)CC2)C1 ZINC000071123288 176035219 /nfs/dbraw/zinc/03/52/19/176035219.db2.gz IRHMWYYCUXQNNP-DZGCQCFKSA-N 1 0 254.418 2.395 10 0 CEAERO CC[C@@H]1CCC[C@](NCC[NH+](CC)CC)(C(=O)OC)C1 ZINC000071125747 176035862 /nfs/dbraw/zinc/03/58/62/176035862.db2.gz OVVOSZDPKQOGQI-GDBMZVCRSA-N 1 0 284.444 2.430 10 0 CEAERO CCOCCC[NH2+]CCOc1cc(OC)cc(OC)c1 ZINC000071137878 176036204 /nfs/dbraw/zinc/03/62/04/176036204.db2.gz FDIRKAJKSHHWMD-UHFFFAOYSA-N 1 0 283.368 2.099 10 0 CEAERO C[C@@H]1CCC[C@@H]([NH+]2CCN(C(C)(C)C(N)=S)CC2)C1 ZINC000071148296 176043928 /nfs/dbraw/zinc/04/39/28/176043928.db2.gz SKGSLTRGDRHGNU-CHWSQXEVSA-N 1 0 283.485 2.247 10 0 CEAERO CC[C@H]1COCCN1[C@@]1(C[NH3+])CCCC[C@@H]1CC ZINC000071161689 176046233 /nfs/dbraw/zinc/04/62/33/176046233.db2.gz WHCHSEOSVDJAHB-SOUVJXGZSA-N 1 0 254.418 2.395 10 0 CEAERO CC[C@H]1CCCC[C@]1(C[NH3+])N(C)Cc1nccn1C ZINC000071162183 176046357 /nfs/dbraw/zinc/04/63/57/176046357.db2.gz DOCFDOHSQXWMTL-DZGCQCFKSA-N 1 0 264.417 2.150 10 0 CEAERO CCCOc1cncc(N2CCC[C@@H]2C[NH2+]CC(C)C)n1 ZINC000071176863 176055116 /nfs/dbraw/zinc/05/51/16/176055116.db2.gz GNKFRBWTOFZNAI-CQSZACIVSA-N 1 0 292.427 2.480 10 0 CEAERO CCCOc1cncc(N[C@@H](C[NH3+])Cc2ccccc2)n1 ZINC000071177444 176055289 /nfs/dbraw/zinc/05/52/89/176055289.db2.gz ZGCUPEFCCMVQQY-CQSZACIVSA-N 1 0 286.379 2.247 10 0 CEAERO CCCOc1cncc(OCCC[NH2+]C(C)C)n1 ZINC000071176730 176055388 /nfs/dbraw/zinc/05/53/88/176055388.db2.gz ZEGCBUCTGSIDJE-UHFFFAOYSA-N 1 0 253.346 2.032 10 0 CEAERO CC[NH2+][C@H](CC)c1ccc(O[C@H]2CCN(C)C2=O)cc1 ZINC000071182951 176058036 /nfs/dbraw/zinc/05/80/36/176058036.db2.gz AXSQBPJJCHLVHL-CABCVRRESA-N 1 0 276.380 2.357 10 0 CEAERO CC(=O)c1ccc(N(C)C[C@H]2CC[N@H+](C)C2)c(F)c1 ZINC000071189369 176065045 /nfs/dbraw/zinc/06/50/45/176065045.db2.gz FHBXGKOLWAMEFE-LBPRGKRZSA-N 1 0 264.344 2.416 10 0 CEAERO CN(C[C@@H]1CC[N@H+](C)C1)c1ccc(C(N)=S)c(Cl)c1 ZINC000071190386 176067005 /nfs/dbraw/zinc/06/70/05/176067005.db2.gz BBZLHVHMXSTBKN-SNVBAGLBSA-N 1 0 297.855 2.362 10 0 CEAERO C[NH+](C)Cc1ccccc1NCc1cccc(C(N)=O)c1 ZINC000071205026 176079622 /nfs/dbraw/zinc/07/96/22/176079622.db2.gz SAHWEUHXVPYXAB-UHFFFAOYSA-N 1 0 283.375 2.459 10 0 CEAERO CCC(CC)N1C(=O)C[C@@H]([NH2+][C@@H]2CCC[C@@H]2C)C1=O ZINC000071207046 176080371 /nfs/dbraw/zinc/08/03/71/176080371.db2.gz OFLKMYRUDZJBST-CYZMBNFOSA-N 1 0 266.385 2.081 10 0 CEAERO C[C@@H]([NH2+]CCn1cc(C(F)(F)F)ccc1=O)C1CC1 ZINC000071212173 176084012 /nfs/dbraw/zinc/08/40/12/176084012.db2.gz MZKBSYIYTAHYBL-SECBINFHSA-N 1 0 274.286 2.255 10 0 CEAERO CCC[C@]1(C(=O)NCc2scnc2C)CCC[NH2+]C1 ZINC000071213512 176085263 /nfs/dbraw/zinc/08/52/63/176085263.db2.gz XLVGSPWNWJBYJM-AWEZNQCLSA-N 1 0 281.425 2.238 10 0 CEAERO COCCN(CCC(N)=[NH2+])Cc1ccc(C)c(C)c1 ZINC000071228908 176091058 /nfs/dbraw/zinc/09/10/58/176091058.db2.gz NDUXIRQVUIGHDP-UHFFFAOYSA-N 1 0 263.385 2.078 10 0 CEAERO NC(=[NH2+])c1cc(F)ccc1COCC1CCOCC1 ZINC000071268339 176102223 /nfs/dbraw/zinc/10/22/23/176102223.db2.gz RGTWBEMVPFDCGA-UHFFFAOYSA-N 1 0 266.316 2.053 10 0 CEAERO CCOC(=O)CCCCC[NH2+]C[C@@H]1CCCOC1 ZINC000071293644 176111512 /nfs/dbraw/zinc/11/15/12/176111512.db2.gz BDCZPZGQQDZZJP-ZDUSSCGKSA-N 1 0 257.374 2.126 10 0 CEAERO CCOC(=O)CCCCCN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000071293443 176111815 /nfs/dbraw/zinc/11/18/15/176111815.db2.gz CEKFRDDPUITZMV-OAHLLOKOSA-N 1 0 282.428 2.280 10 0 CEAERO CCOC(=O)CCCCC[N@@H+]1CCC[C@@H]1C(=O)OCC ZINC000071297921 176112521 /nfs/dbraw/zinc/11/25/21/176112521.db2.gz HITQHENMEGKNGM-CYBMUJFWSA-N 1 0 285.384 2.137 10 0 CEAERO CCOC(=O)CCCCC[NH2+]CCOCC(F)(F)F ZINC000071297457 176112860 /nfs/dbraw/zinc/11/28/60/176112860.db2.gz VTXKORMDYMOSSI-UHFFFAOYSA-N 1 0 285.306 2.278 10 0 CEAERO Cc1ccc(SCCN(C)[C@@H]2CC[NH2+]C2)cc1 ZINC000071311421 176118459 /nfs/dbraw/zinc/11/84/59/176118459.db2.gz LPWMNHOJZPKRKX-CYBMUJFWSA-N 1 0 250.411 2.381 10 0 CEAERO CCN(C(=O)c1ccc(F)cc1Cl)[C@H]1CC[NH2+]C1 ZINC000071312667 176119312 /nfs/dbraw/zinc/11/93/12/176119312.db2.gz PUCFOOXVKKUFEE-JTQLQIEISA-N 1 0 270.735 2.303 10 0 CEAERO CCN(Cc1cc(C(C)=O)ccc1OC)[C@H]1CC[NH2+]C1 ZINC000071313169 176119618 /nfs/dbraw/zinc/11/96/18/176119618.db2.gz HWPKBJMHJQCYIR-HNNXBMFYSA-N 1 0 276.380 2.082 10 0 CEAERO CCN(CCCC(=O)Nc1cccc(C)c1)[C@@H]1CC[NH2+]C1 ZINC000071313092 176119759 /nfs/dbraw/zinc/11/97/59/176119759.db2.gz HQUNQINXYZQGFA-MRXNPFEDSA-N 1 0 289.423 2.398 10 0 CEAERO CCN(Cc1cc(F)ccc1OC)[C@@H]1CC[NH2+]C1 ZINC000071313970 176120366 /nfs/dbraw/zinc/12/03/66/176120366.db2.gz MMVCZTNDIMQHKD-CYBMUJFWSA-N 1 0 252.333 2.018 10 0 CEAERO CCCN(c1nncc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000071332857 176125864 /nfs/dbraw/zinc/12/58/64/176125864.db2.gz KZYHNBKMLHYENT-ZDUSSCGKSA-N 1 0 256.353 2.208 10 0 CEAERO Cc1ccc(C[NH2+]C2CN(C(=O)OC(C)(C)C)C2)cn1 ZINC000071336054 176127739 /nfs/dbraw/zinc/12/77/39/176127739.db2.gz UBEXUVBCLSJBHE-UHFFFAOYSA-N 1 0 277.368 2.099 10 0 CEAERO COc1cccc(NC(=O)NC[C@H]2[NH2+]CCC[C@H]2C)c1 ZINC000071338983 176129409 /nfs/dbraw/zinc/12/94/09/176129409.db2.gz OGBFIWCDHFWPBX-BXUZGUMPSA-N 1 0 277.368 2.205 10 0 CEAERO CC1(C)CN(CCn2cccn2)[C@H](c2ccccc2)C[NH2+]1 ZINC000071342944 176130463 /nfs/dbraw/zinc/13/04/63/176130463.db2.gz HWUMYXSXWCZJQM-INIZCTEOSA-N 1 0 284.407 2.308 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1Cc1cnn(C)c1 ZINC000071347139 176132217 /nfs/dbraw/zinc/13/22/17/176132217.db2.gz LAWQQNBSBMAXCR-LSDHHAIUSA-N 1 0 278.444 2.265 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](Cc2ccccc2)CN1Cc1ccncc1 ZINC000071352647 176135674 /nfs/dbraw/zinc/13/56/74/176135674.db2.gz PSQJQDCZVUHPKS-QAPCUYQASA-N 1 0 281.403 2.487 10 0 CEAERO CC[C@H](C)[C@H]1CN(Cc2ncccn2)[C@H](C(C)C)C[NH2+]1 ZINC000071354816 176136872 /nfs/dbraw/zinc/13/68/72/176136872.db2.gz XFTRDVKMPXRADZ-ZNMIVQPWSA-N 1 0 276.428 2.321 10 0 CEAERO C[C@@H]1C[NH2+]C2(CCCC2)CN1Cc1cn2ccccc2n1 ZINC000071358256 176137192 /nfs/dbraw/zinc/13/71/92/176137192.db2.gz IQDSXMWSESIHTH-CQSZACIVSA-N 1 0 284.407 2.441 10 0 CEAERO CC[C@@H](C)[C@H]1CNC2(CCCC2)C[N@@H+]1CCOCCOC ZINC000071358614 176137438 /nfs/dbraw/zinc/13/74/38/176137438.db2.gz MOPGMOMUDGUQHO-HZPDHXFCSA-N 1 0 298.471 2.282 10 0 CEAERO C([C@@H]1CCOC1)[N@@H+]1CC2(CCCCC2)NC[C@@H]1C1CC1 ZINC000071359746 176137793 /nfs/dbraw/zinc/13/77/93/176137793.db2.gz IWMNOKWNQJGNNJ-GOEBONIOSA-N 1 0 278.440 2.410 10 0 CEAERO CC1CCC(CO)([NH2+]Cc2cnn3ccccc23)CC1 ZINC000071373512 176139218 /nfs/dbraw/zinc/13/92/18/176139218.db2.gz WYUKNIOMAUXISL-UHFFFAOYSA-N 1 0 273.380 2.365 10 0 CEAERO CCn1c(C[NH3+])nnc1SCc1ccc(OC)cc1 ZINC000071374617 176139806 /nfs/dbraw/zinc/13/98/06/176139806.db2.gz ZDJZANHSUJXDHA-UHFFFAOYSA-N 1 0 278.381 2.058 10 0 CEAERO CCCn1c(C[NH3+])nnc1SCc1c(C)noc1C ZINC000071375162 176140210 /nfs/dbraw/zinc/14/02/10/176140210.db2.gz HRDFEPCFJHGHJH-UHFFFAOYSA-N 1 0 281.385 2.044 10 0 CEAERO Cc1ccc(N)c(C(=O)NCC[NH+]2CCCCCC2)c1 ZINC000071383392 176146654 /nfs/dbraw/zinc/14/66/54/176146654.db2.gz YQIMFLXLIBMXPU-UHFFFAOYSA-N 1 0 275.396 2.183 10 0 CEAERO Cn1cc(COc2ccc(C[NH3+])cc2C(F)(F)F)cn1 ZINC000071398322 176151853 /nfs/dbraw/zinc/15/18/53/176151853.db2.gz MPCBDHULBLJWOL-UHFFFAOYSA-N 1 0 285.269 2.477 10 0 CEAERO C=COCCCNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000071401067 176153349 /nfs/dbraw/zinc/15/33/49/176153349.db2.gz QNBQCAZOFVYVCX-AWEZNQCLSA-N 1 0 262.353 2.133 10 0 CEAERO CCOC[C@H](C)NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000071401290 176153589 /nfs/dbraw/zinc/15/35/89/176153589.db2.gz NQHZXXCUBFMDIA-JSGCOSHPSA-N 1 0 264.369 2.008 10 0 CEAERO CCCCNC(=O)[C@@H](C)Oc1ccc(C)cc1C[NH2+]C ZINC000071403676 176155370 /nfs/dbraw/zinc/15/53/70/176155370.db2.gz KBQMIUCPNDNXEI-CYBMUJFWSA-N 1 0 278.396 2.398 10 0 CEAERO CCC[C@@H](C)NC(=O)COc1ccc(C)cc1CC[NH3+] ZINC000071411439 176156979 /nfs/dbraw/zinc/15/69/79/176156979.db2.gz VPPVRFUFPGXUIN-CYBMUJFWSA-N 1 0 278.396 2.180 10 0 CEAERO CCc1nnc(COc2ccc(C)cc2CC[NH3+])o1 ZINC000071411208 176157248 /nfs/dbraw/zinc/15/72/48/176157248.db2.gz SPWOCHNPGBRIJY-UHFFFAOYSA-N 1 0 261.325 2.021 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc(C)ccc1O[C@H](C)C(=O)N(C)C ZINC000071412104 176157667 /nfs/dbraw/zinc/15/76/67/176157667.db2.gz SACJRBOGDJOYLU-TZMCWYRMSA-N 1 0 278.396 2.130 10 0 CEAERO CCOc1ccc(CCCN2CC[NH2+]C[C@@H]2C)cc1 ZINC000071589140 176217427 /nfs/dbraw/zinc/21/74/27/176217427.db2.gz PFGRCAQUHXEATK-AWEZNQCLSA-N 1 0 262.397 2.312 10 0 CEAERO C[NH2+][C@H](C(C)C)[C@@H](O)c1cc(OC)c(C)cc1OC ZINC000071599193 176223669 /nfs/dbraw/zinc/22/36/69/176223669.db2.gz SSPHWIBBJSQMFZ-CABCVRRESA-N 1 0 267.369 2.290 10 0 CEAERO O=C1CC[NH2+]C[C@H]1Cc1cccc(Br)c1 ZINC000071599558 176224499 /nfs/dbraw/zinc/22/44/99/176224499.db2.gz UWNPUOOCWBLAIK-SNVBAGLBSA-N 1 0 268.154 2.170 10 0 CEAERO CC(C)[NH2+]C[C@@H](O)Cc1ccc(Br)cc1 ZINC000071611513 176231620 /nfs/dbraw/zinc/23/16/20/176231620.db2.gz LUFVNIPSNBYTSN-LBPRGKRZSA-N 1 0 272.186 2.351 10 0 CEAERO O=C(Cc1ccc(Cl)c(Cl)c1)CN1CC[NH2+]CC1 ZINC000071643540 176239668 /nfs/dbraw/zinc/23/96/68/176239668.db2.gz GQHFOJPGJNUEOC-UHFFFAOYSA-N 1 0 287.190 2.010 10 0 CEAERO CC(C)(C)c1ccc(OCc2n[nH]c(C[NH3+])n2)cc1 ZINC000072236614 176345659 /nfs/dbraw/zinc/34/56/59/176345659.db2.gz NHNPKXGPDUVYSA-UHFFFAOYSA-N 1 0 260.341 2.140 10 0 CEAERO C[C@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000662444574 415847208 /nfs/dbraw/zinc/84/72/08/415847208.db2.gz IWZZNHIBNZCVCI-PEXQALLHSA-N 1 0 252.745 2.255 10 0 CEAERO Cc1nccnc1N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656607977 415782672 /nfs/dbraw/zinc/78/26/72/415782672.db2.gz GFGSSDXYBWBMAY-AWEZNQCLSA-N 1 0 260.385 2.001 10 0 CEAERO Cc1nnc(N2CCC([C@@H]3CCC[NH2+]C3)CC2)s1 ZINC000656609198 415785321 /nfs/dbraw/zinc/78/53/21/415785321.db2.gz QZQWFQGETFGHBX-GFCCVEGCSA-N 1 0 266.414 2.063 10 0 CEAERO C[C@@H]1C[N@H+](C[C@@H]2CCC[C@H](O)C2)C[C@@](C)(C(F)F)O1 ZINC000662358587 415799076 /nfs/dbraw/zinc/79/90/76/415799076.db2.gz QGHUWBFQIYRVKE-NMKXLXIOSA-N 1 0 277.355 2.282 10 0 CEAERO CC[C@@H]([NH2+]C)C(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000662394734 415821984 /nfs/dbraw/zinc/82/19/84/415821984.db2.gz LJZNRABQFHMLTB-ZIAGYGMSSA-N 1 0 296.798 2.238 10 0 CEAERO CCC[C@@H]1C[C@@H]1NC(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662518070 415871712 /nfs/dbraw/zinc/87/17/12/415871712.db2.gz ZGFMJAQFGXVHAF-KOLCDFICSA-N 1 0 264.394 2.312 10 0 CEAERO CC1(C)CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC(C)(C)C1 ZINC000662657189 415921583 /nfs/dbraw/zinc/92/15/83/415921583.db2.gz KGZDFODFTOAUEB-NWDGAFQWSA-N 1 0 270.392 2.361 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC[C@@H](C3CCC3)C2)C1 ZINC000662715723 415941579 /nfs/dbraw/zinc/94/15/79/415941579.db2.gz PDDXMOKMLANDKY-MGPQQGTHSA-N 1 0 250.386 2.153 10 0 CEAERO CCCOc1ccc(-c2nccnc2CC[NH3+])cc1 ZINC000076309556 176979229 /nfs/dbraw/zinc/97/92/29/176979229.db2.gz KJBIHMPPQFXVSB-UHFFFAOYSA-N 1 0 257.337 2.434 10 0 CEAERO CC(C)CNC(=O)[C@H](CC[NH3+])c1cccc(F)c1 ZINC000076656549 177045863 /nfs/dbraw/zinc/04/58/63/177045863.db2.gz PMOXIYWILSXCCH-CYBMUJFWSA-N 1 0 252.333 2.030 10 0 CEAERO COc1ccccc1N(CC[NH3+])Cc1ccccn1 ZINC000076664277 177050481 /nfs/dbraw/zinc/05/04/81/177050481.db2.gz FANHJBLITRSFCF-UHFFFAOYSA-N 1 0 257.337 2.056 10 0 CEAERO COc1ccc(OC[C@H](C[NH3+])c2ccccn2)cc1 ZINC000076666091 177050884 /nfs/dbraw/zinc/05/08/84/177050884.db2.gz YYBMMKGBGACOHA-LBPRGKRZSA-N 1 0 258.321 2.212 10 0 CEAERO [NH3+]CCN(Cc1ccc(F)cc1)Cc1ccccn1 ZINC000076668715 177052499 /nfs/dbraw/zinc/05/24/99/177052499.db2.gz GINXKWAFLPNGMW-UHFFFAOYSA-N 1 0 259.328 2.182 10 0 CEAERO C[C@H]1COC[C@]2(CCC[NH2+]C2)N1Cc1ccccc1 ZINC000076698237 177061797 /nfs/dbraw/zinc/06/17/97/177061797.db2.gz DOKNYLNVXZWKNQ-GOEBONIOSA-N 1 0 260.381 2.030 10 0 CEAERO C[C@H](C[NH3+])CC(=O)Nc1cccc(Br)c1 ZINC000076710920 177067719 /nfs/dbraw/zinc/06/77/19/177067719.db2.gz MLZJLHTYGQTFBA-QMMMGPOBSA-N 1 0 271.158 2.373 10 0 CEAERO C[C@@H](CC[NH3+])C(=O)Nc1cccc(Br)c1 ZINC000076710908 177067998 /nfs/dbraw/zinc/06/79/98/177067998.db2.gz ZOWUKAJFKVKOEL-QMMMGPOBSA-N 1 0 271.158 2.373 10 0 CEAERO Cc1cc(Br)c2nc([C@@H](C)[NH3+])cn2c1 ZINC000076792251 177097153 /nfs/dbraw/zinc/09/71/53/177097153.db2.gz DJLAZUGKEAGPPN-SSDOTTSWSA-N 1 0 254.131 2.425 10 0 CEAERO COc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2O)cc1F ZINC000077204488 177232942 /nfs/dbraw/zinc/23/29/42/177232942.db2.gz QRHPMUYEEYQOIL-TZMCWYRMSA-N 1 0 267.344 2.475 10 0 CEAERO Cc1nn(C)c(Cl)c1C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000077466279 177271644 /nfs/dbraw/zinc/27/16/44/177271644.db2.gz ACSYTSQOERJAGK-JQWIXIFHSA-N 1 0 271.792 2.023 10 0 CEAERO CNC(=O)[C@H](CC(C)C)[NH2+]Cc1ccc2ccccc2n1 ZINC000077490297 177274663 /nfs/dbraw/zinc/27/46/63/177274663.db2.gz FYYHXJIEDQRTST-INIZCTEOSA-N 1 0 285.391 2.485 10 0 CEAERO CSCCCNC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000077569984 177281833 /nfs/dbraw/zinc/28/18/33/177281833.db2.gz QKAZSHCRNQYBKW-LBPRGKRZSA-N 1 0 275.462 2.015 10 0 CEAERO Cn1c(C[NH2+][C@@](C)(CO)C2CCCCC2)nnc1C1CC1 ZINC000077655754 177291770 /nfs/dbraw/zinc/29/17/70/177291770.db2.gz GSNPDGKXXJOIHU-INIZCTEOSA-N 1 0 292.427 2.113 10 0 CEAERO CCC[NH2+]C[C@H](O)c1ccc(OC)c(OC)c1Cl ZINC000078626000 177361839 /nfs/dbraw/zinc/36/18/39/177361839.db2.gz KQZNBYOJLWUPEZ-JTQLQIEISA-N 1 0 273.760 2.390 10 0 CEAERO Cc1cc2ncc(C[NH2+]C[C@@]3(O)CCC[C@@H](C)C3)cn2n1 ZINC000078638674 177363579 /nfs/dbraw/zinc/36/35/79/177363579.db2.gz MASPACIYOBFFNA-MLGOLLRUSA-N 1 0 288.395 2.069 10 0 CEAERO CCOC[C@H](O)C[N@@H+]1C[C@H](c2ccccc2)OCC1(C)C ZINC000078699580 177373069 /nfs/dbraw/zinc/37/30/69/177373069.db2.gz XEGLLTWHXXUGGI-HZPDHXFCSA-N 1 0 293.407 2.236 10 0 CEAERO CC(=O)Nc1cc(NC(=O)CC[C@H](C)CC[NH3+])ccc1F ZINC000079118054 177436479 /nfs/dbraw/zinc/43/64/79/177436479.db2.gz LNYBMSAABUPOLO-JTQLQIEISA-N 1 0 295.358 2.488 10 0 CEAERO CCC[C@H]1CCC(=O)N(C[C@H]([NH2+]C)C2CC2)CC1 ZINC000079227181 177450664 /nfs/dbraw/zinc/45/06/64/177450664.db2.gz BFEBVIOSMQPEQN-JSGCOSHPSA-N 1 0 252.402 2.413 10 0 CEAERO CC(C)[C@@H]1CCC(=O)N(Cc2cc[nH+]c(NN)c2)CC1 ZINC000079249608 177457273 /nfs/dbraw/zinc/45/72/73/177457273.db2.gz VRBOCCSCTHSXCS-CYBMUJFWSA-N 1 0 276.384 2.152 10 0 CEAERO CC(C)(C)[C@@H](CC[NH3+])CCC(=O)OC[C@H]1CCCO1 ZINC000079287102 177463969 /nfs/dbraw/zinc/46/39/69/177463969.db2.gz KHWKGSSQJXPUHI-CHWSQXEVSA-N 1 0 271.401 2.500 10 0 CEAERO C[C@@H]1CN(C(=O)CC[C@@H](CC[NH3+])C(C)(C)C)C[C@@H](C)O1 ZINC000079288272 177464072 /nfs/dbraw/zinc/46/40/72/177464072.db2.gz LTKNYBARVWPUAS-MCIONIFRSA-N 1 0 284.444 2.414 10 0 CEAERO Cc1nn(C)c(N2CCC[C@H](C(C)C)CC2)c1CC[NH3+] ZINC000079419378 177485868 /nfs/dbraw/zinc/48/58/68/177485868.db2.gz NAYUTPUNVISBOO-AWEZNQCLSA-N 1 0 278.444 2.492 10 0 CEAERO C[C@@]1(C(=O)N[C@@H](c2ccccc2)C2CC2)CCC[NH2+]1 ZINC000079515196 177512280 /nfs/dbraw/zinc/51/22/80/177512280.db2.gz OUWKXERPOOQFDT-HOCLYGCPSA-N 1 0 258.365 2.396 10 0 CEAERO CCCCN(CC(F)(F)F)C(=O)[C@]1(C)CCC[NH2+]1 ZINC000079517404 177513046 /nfs/dbraw/zinc/51/30/46/177513046.db2.gz WKXHIEGATPLOJU-NSHDSACASA-N 1 0 266.307 2.320 10 0 CEAERO CCC[C@@H](COC)[NH2+]C1CCN(C(=O)OCC)CC1 ZINC000079739338 177547718 /nfs/dbraw/zinc/54/77/18/177547718.db2.gz YRDTUEBUUULFOJ-ZDUSSCGKSA-N 1 0 272.389 2.012 10 0 CEAERO CCC[C@H](COC)[NH2+]CC(=O)Nc1cccc(OC)c1 ZINC000079743573 177549276 /nfs/dbraw/zinc/54/92/76/177549276.db2.gz USVRCAKWDLQPRF-CYBMUJFWSA-N 1 0 280.368 2.038 10 0 CEAERO CC[C@H](COC)NC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000079774068 177555503 /nfs/dbraw/zinc/55/55/03/177555503.db2.gz UJGAMXUTOIGCAG-CMPLNLGQSA-N 1 0 265.357 2.253 10 0 CEAERO CCN(C[C@H](C)C(N)=[NH2+])C(=O)Nc1ccc(F)cc1F ZINC000079778890 177557131 /nfs/dbraw/zinc/55/71/31/177557131.db2.gz WABWEUXBTRACNF-QMMMGPOBSA-N 1 0 284.310 2.391 10 0 CEAERO COc1ccc(NC(=O)N2CCCC[C@H]2C(N)=[NH2+])cc1 ZINC000079824547 177565509 /nfs/dbraw/zinc/56/55/09/177565509.db2.gz HIBQAHUSZCDKMZ-LBPRGKRZSA-N 1 0 276.340 2.018 10 0 CEAERO NC(=[NH2+])[C@H]1CCCN(Cc2ccc(F)cc2F)C1 ZINC000079838566 177568031 /nfs/dbraw/zinc/56/80/31/177568031.db2.gz JPRMSUOJYVPSKK-JTQLQIEISA-N 1 0 253.296 2.113 10 0 CEAERO CCC(CC)(c1ccccc1)c1nc(C[NH3+])cc(=O)[nH]1 ZINC000079939485 177583968 /nfs/dbraw/zinc/58/39/68/177583968.db2.gz XJVIYHVOYKCRRJ-UHFFFAOYSA-N 1 0 271.364 2.335 10 0 CEAERO CCNC(=O)[C@H]1C[C@@H](c2ccc(OCC)cc2)CC[NH2+]1 ZINC000080104921 177608445 /nfs/dbraw/zinc/60/84/45/177608445.db2.gz YEODRSXZDZENID-DZGCQCFKSA-N 1 0 276.380 2.057 10 0 CEAERO Cc1ccc([C@H](C)[NH2+][C@H](C)C[C@@H]2COCCN2)o1 ZINC000133588721 419432370 /nfs/dbraw/zinc/43/23/70/419432370.db2.gz FSTFFAXBTCQPES-KGYLQXTDSA-N 1 0 252.358 2.006 10 0 CEAERO CCOc1ccc(NC(=O)C[C@H]([NH3+])C(C)C)cc1OC ZINC000136345965 419443583 /nfs/dbraw/zinc/44/35/83/419443583.db2.gz MJQYDJAUVSUROO-LBPRGKRZSA-N 1 0 280.368 2.406 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)Nc1cnc2c(cnn2C(C)C)c1 ZINC000136431957 419446569 /nfs/dbraw/zinc/44/65/69/419446569.db2.gz CLNQWRGUZYYERU-CYBMUJFWSA-N 1 0 289.383 2.324 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)NCc1ccc(F)c(Cl)c1 ZINC000136452842 419447750 /nfs/dbraw/zinc/44/77/50/419447750.db2.gz PNDUTQHAKIMNQF-LBPRGKRZSA-N 1 0 272.751 2.469 10 0 CEAERO CC[C@H](C)N(C)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000080012648 287565845 /nfs/dbraw/zinc/56/58/45/287565845.db2.gz WOEWRGUGHJXFSN-QWHCGFSZSA-N 1 0 257.422 2.403 10 0 CEAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000667851205 419828171 /nfs/dbraw/zinc/82/81/71/419828171.db2.gz HEMPTVJFNJMDDW-KFWWJZLASA-N 1 0 254.418 2.120 10 0 CEAERO CC[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC(=O)N[C@@H]2C)C1 ZINC000394503952 261183330 /nfs/dbraw/zinc/18/33/30/261183330.db2.gz DJMDUYXXORPORO-MQYQWHSLSA-N 1 0 252.402 2.460 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]2CN(c3cncc(Br)c3)C[C@H]21 ZINC000261548228 274958404 /nfs/dbraw/zinc/95/84/04/274958404.db2.gz JCXUPGAQFIAOFK-ZWKOPEQDSA-N 1 0 296.212 2.408 10 0 CEAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@]1(O)CCOC1 ZINC000222426706 270308956 /nfs/dbraw/zinc/30/89/56/270308956.db2.gz UKRJYIVGUAPZSH-NFAWXSAZSA-N 1 0 255.402 2.332 10 0 CEAERO C[C@@H]([NH2+]CCn1cncn1)c1ccc2c(c1)CCC2 ZINC000268857875 270330717 /nfs/dbraw/zinc/33/07/17/270330717.db2.gz UWUSDNYTEKQFDH-GFCCVEGCSA-N 1 0 256.353 2.118 10 0 CEAERO Cc1nnsc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000311544301 270333073 /nfs/dbraw/zinc/33/30/73/270333073.db2.gz OCJBJGSPJOFZPF-XQQFMLRXSA-N 1 0 281.425 2.362 10 0 CEAERO Cc1ccc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)c(Cl)c1 ZINC000392928458 270341505 /nfs/dbraw/zinc/34/15/05/270341505.db2.gz NQTWQJZERBWJTH-GWCFXTLKSA-N 1 0 266.772 2.405 10 0 CEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C[C@H]1CCCCC1(F)F ZINC000393092777 270341729 /nfs/dbraw/zinc/34/17/29/270341729.db2.gz MDPJLFUSBNIIJK-AXFHLTTASA-N 1 0 260.328 2.069 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)Nc1cccc(Br)c1 ZINC000398727625 270361949 /nfs/dbraw/zinc/36/19/49/270361949.db2.gz LLKZWWIBMKHRGA-MRVPVSSYSA-N 1 0 286.173 2.179 10 0 CEAERO C[C@H](NC(=O)[C@H]([NH3+])C1CCC1)c1ccc(F)cc1F ZINC000398966823 270364825 /nfs/dbraw/zinc/36/48/25/270364825.db2.gz RSZOKINVRHZIAX-ISVAXAHUSA-N 1 0 268.307 2.269 10 0 CEAERO Cc1cccc(CSCC(=O)N2CC[C@H]([NH3+])[C@H]2C)c1 ZINC000423648731 270929389 /nfs/dbraw/zinc/92/93/89/270929389.db2.gz RTTXZRZKHARJGG-OCCSQVGLSA-N 1 0 278.421 2.176 10 0 CEAERO COCC(C)(C)C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000426408713 271219175 /nfs/dbraw/zinc/21/91/75/271219175.db2.gz CAOJBHUIOZKRRS-ZFWWWQNUSA-N 1 0 255.402 2.286 10 0 CEAERO C[NH2+][C@@H]1CCN(c2ncnc3sc(C)c(C)c32)C1 ZINC000129121094 273972826 /nfs/dbraw/zinc/97/28/26/273972826.db2.gz NTBNYWNYRWWEAS-SNVBAGLBSA-N 1 0 262.382 2.106 10 0 CEAERO Cc1sc2ncnc(N3CC[C@](C)(C[NH3+])C3)c2c1C ZINC000236025846 274879562 /nfs/dbraw/zinc/87/95/62/274879562.db2.gz QQUYCLRSISPDIE-CQSZACIVSA-N 1 0 276.409 2.483 10 0 CEAERO CC(C)CC[NH2+][C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000236737547 275563218 /nfs/dbraw/zinc/56/32/18/275563218.db2.gz KWNILDKBFIRXIR-GFCCVEGCSA-N 1 0 250.390 2.352 10 0 CEAERO CCC[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccccn1 ZINC000180588525 276025734 /nfs/dbraw/zinc/02/57/34/276025734.db2.gz CWHNIJHCEMSWAY-TZMCWYRMSA-N 1 0 271.368 2.119 10 0 CEAERO CCC[C@H](C(=O)N(C)Cc1cc(Cl)cn1C)[NH+](C)C ZINC000154042626 276037183 /nfs/dbraw/zinc/03/71/83/276037183.db2.gz QVUZCRWTTMVQIB-CYBMUJFWSA-N 1 0 285.819 2.367 10 0 CEAERO CC(C)n1ccnc1CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247115830 276086423 /nfs/dbraw/zinc/08/64/23/276086423.db2.gz IVDFAHISHODJHT-KGLIPLIRSA-N 1 0 262.401 2.133 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cccc(N(C)C)c1 ZINC000177424252 276181981 /nfs/dbraw/zinc/18/19/81/276181981.db2.gz RYRPPSVVQHDSLY-INIZCTEOSA-N 1 0 289.423 2.309 10 0 CEAERO CCCCOC[C@H](O)CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000248642331 276238594 /nfs/dbraw/zinc/23/85/94/276238594.db2.gz DDIDTUDWZIQMKL-DLBZAZTESA-N 1 0 298.471 2.114 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC3(CCCC3)C2)C1 ZINC000174234987 276374871 /nfs/dbraw/zinc/37/48/71/276374871.db2.gz XYJDZWGRMVDKGN-AWEZNQCLSA-N 1 0 279.428 2.446 10 0 CEAERO CCS(=O)(=O)c1ccc(N2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261811563 276393718 /nfs/dbraw/zinc/39/37/18/276393718.db2.gz SGSWBKWIAOKICX-AWEZNQCLSA-N 1 0 296.436 2.044 10 0 CEAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCCc3occc31)CC2 ZINC000192984203 276695014 /nfs/dbraw/zinc/69/50/14/276695014.db2.gz XXHNPZDHIBNGPH-AAEUAGOBSA-N 1 0 286.379 2.416 10 0 CEAERO COC1CCC([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000346433740 277193644 /nfs/dbraw/zinc/19/36/44/277193644.db2.gz SAYNIZAOPKVKLM-LFGDDXOXSA-N 1 0 253.386 2.347 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)CCSc1ccc(C)cc1 ZINC000261713951 277297449 /nfs/dbraw/zinc/29/74/49/277297449.db2.gz KFJQTOJGYMLSOZ-GFCCVEGCSA-N 1 0 266.410 2.201 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC(=O)C[C@H]1C ZINC000120522368 277393870 /nfs/dbraw/zinc/39/38/70/277393870.db2.gz FKUZPPRXGRVXGS-FMKPAKJESA-N 1 0 294.439 2.228 10 0 CEAERO C[C@@H](NC(=O)CCC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000019473233 277603853 /nfs/dbraw/zinc/60/38/53/277603853.db2.gz KRFDFFRNNXZZEA-UWJCENJNSA-N 1 0 264.413 2.446 10 0 CEAERO COCc1cccc2sc(NC(=O)C[C@H](C)[NH3+])nc21 ZINC000261736883 277612735 /nfs/dbraw/zinc/61/27/35/277612735.db2.gz IAOSWRQQDPOVDQ-QMMMGPOBSA-N 1 0 279.365 2.119 10 0 CEAERO COc1ccc(N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cn1 ZINC000250446629 277916740 /nfs/dbraw/zinc/91/67/40/277916740.db2.gz PSJJTPFAXFANMJ-BFHYXJOUSA-N 1 0 261.369 2.423 10 0 CEAERO CC(C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000079340991 277935801 /nfs/dbraw/zinc/93/58/01/277935801.db2.gz POLZSHGQRJINAC-KBPBESRZSA-N 1 0 252.402 2.271 10 0 CEAERO COc1cccc(CN[C@H](C[NH+](C)C)c2ccccc2)n1 ZINC000189426518 278013063 /nfs/dbraw/zinc/01/30/63/278013063.db2.gz LLEVTSHKHJIJOP-MRXNPFEDSA-N 1 0 285.391 2.483 10 0 CEAERO CC(C)c1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000038050554 278043484 /nfs/dbraw/zinc/04/34/84/278043484.db2.gz LIHSOAZWMMBWNF-LSDHHAIUSA-N 1 0 296.436 2.358 10 0 CEAERO CC(C)c1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000038050557 278043730 /nfs/dbraw/zinc/04/37/30/278043730.db2.gz LIHSOAZWMMBWNF-CABCVRRESA-N 1 0 296.436 2.358 10 0 CEAERO CSCCC[NH2+][C@H]1CC(=O)N(C)c2ccccc21 ZINC000069432477 278129217 /nfs/dbraw/zinc/12/92/17/278129217.db2.gz ISVGZKJRLRFBOG-LBPRGKRZSA-N 1 0 264.394 2.437 10 0 CEAERO C[C@@H]([NH3+])CCNC(=O)C[C@H]1CCCc2ccccc21 ZINC000178667911 278306524 /nfs/dbraw/zinc/30/65/24/278306524.db2.gz YXFBSNIUAAQBJZ-TZMCWYRMSA-N 1 0 260.381 2.350 10 0 CEAERO C[C@@H]([NH3+])[C@@H]1CCN(c2cncc(Br)c2)C1 ZINC000261536189 278314461 /nfs/dbraw/zinc/31/44/61/278314461.db2.gz QRGRLPMLAVZUEH-RKDXNWHRSA-N 1 0 270.174 2.018 10 0 CEAERO C[C@@H]([NH3+])[C@H]1CCCN(c2ccc(C(F)(F)F)nn2)C1 ZINC000167028745 278317821 /nfs/dbraw/zinc/31/78/21/278317821.db2.gz LASNYIFIPKGSMK-BDAKNGLRSA-N 1 0 274.290 2.059 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cccc(F)c1 ZINC000105872223 278376636 /nfs/dbraw/zinc/37/66/36/278376636.db2.gz UXCAVQBUGYKBKV-ZWNOBZJWSA-N 1 0 260.316 2.083 10 0 CEAERO Cc1cc(C)c(C(=O)N[C@H]2CCC[C@H]2C[NH3+])c(C)c1 ZINC000061883222 278660117 /nfs/dbraw/zinc/66/01/17/278660117.db2.gz FGTLOTDHSSKOPM-KBPBESRZSA-N 1 0 260.381 2.469 10 0 CEAERO C[C@@H]1CN(c2c(F)c(F)nc(F)c2F)C[C@@H]1[NH+](C)C ZINC000123987197 278798700 /nfs/dbraw/zinc/79/87/00/278798700.db2.gz QTVBNTKOGQULMH-RQJHMYQMSA-N 1 0 277.265 2.024 10 0 CEAERO C[C@@H]1CN(c2ccncc2Br)C[C@@H]1[NH+](C)C ZINC000135105430 278808828 /nfs/dbraw/zinc/80/88/28/278808828.db2.gz MSJAPXLUFQITFZ-SKDRFNHKSA-N 1 0 284.201 2.230 10 0 CEAERO CC(C)CN(CC(C)C)C(=O)CN1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000070178275 278842627 /nfs/dbraw/zinc/84/26/27/278842627.db2.gz YUMVCBPUNHHBCK-HZPDHXFCSA-N 1 0 297.487 2.186 10 0 CEAERO Cc1ccnc(N2CCCC[C@H]2C[NH3+])c1Br ZINC000235921302 278984342 /nfs/dbraw/zinc/98/43/42/278984342.db2.gz XXQIIPGGJPBFDX-JTQLQIEISA-N 1 0 284.201 2.470 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)C1 ZINC000263523271 279059832 /nfs/dbraw/zinc/05/98/32/279059832.db2.gz SAXHASYOILMSFB-WMUDQEJXSA-N 1 0 282.428 2.338 10 0 CEAERO CC(C)C[C@H](C)OCCC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262110713 279115719 /nfs/dbraw/zinc/11/57/19/279115719.db2.gz VPSWOVNQWNOEGG-KBPBESRZSA-N 1 0 284.444 2.414 10 0 CEAERO C[C@H](C(=O)Nc1nc2c(s1)C[C@@H](C)CC2)C1C[NH2+]C1 ZINC000262282570 279237620 /nfs/dbraw/zinc/23/76/20/279237620.db2.gz XJMWERCZHJISRC-IUCAKERBSA-N 1 0 279.409 2.062 10 0 CEAERO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCS[C@@H](C)C1 ZINC000245805160 279308102 /nfs/dbraw/zinc/30/81/02/279308102.db2.gz BYWLMHAZKHAYRT-MCIONIFRSA-N 1 0 299.484 2.254 10 0 CEAERO [NH3+]C[C@H]1CCCN1C(=O)COc1ccc2ccccc2c1 ZINC000238037374 279651550 /nfs/dbraw/zinc/65/15/50/279651550.db2.gz FWTQVUSGAGBMRE-OAHLLOKOSA-N 1 0 284.359 2.168 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)C1CCC(F)(F)CC1 ZINC000216252031 279652505 /nfs/dbraw/zinc/65/25/05/279652505.db2.gz NQTJVZLTFPNTBR-MNOVXSKESA-N 1 0 260.328 2.056 10 0 CEAERO C[C@H]1CCN(C(=O)c2cccc3c2CCC3)[C@@H](C[NH3+])C1 ZINC000261665927 279712524 /nfs/dbraw/zinc/71/25/24/279712524.db2.gz CKLJTUPXYHBSBF-GXTWGEPZSA-N 1 0 272.392 2.375 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+][C@@]2(C)CCOC2)C1 ZINC000120244118 279756060 /nfs/dbraw/zinc/75/60/60/279756060.db2.gz XMXYMWXFAUZHFZ-CJNGLKHVSA-N 1 0 298.427 2.402 10 0 CEAERO CCC[C@H](C(=O)NCCCOC1CCCC1)[NH+](C)C ZINC000126359519 279829121 /nfs/dbraw/zinc/82/91/21/279829121.db2.gz JHMBTNAQQBAAEA-CQSZACIVSA-N 1 0 270.417 2.182 10 0 CEAERO Cc1cc(C)cc(CCC(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000128436935 279887755 /nfs/dbraw/zinc/88/77/55/279887755.db2.gz JEABNBOLSRGNIB-INIZCTEOSA-N 1 0 274.408 2.399 10 0 CEAERO CCS[C@@H]1CCC[C@H](NC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000175873634 280050131 /nfs/dbraw/zinc/05/01/31/280050131.db2.gz DCQKQHKTNLHRCN-MELADBBJSA-N 1 0 299.484 2.396 10 0 CEAERO CC(C)[C@H](C)NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000137481593 280068473 /nfs/dbraw/zinc/06/84/73/280068473.db2.gz RPRIZSRMRRFYDN-HSBZDZAISA-N 1 0 269.433 2.451 10 0 CEAERO CCCC(O)(CCC)CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000161641518 280096241 /nfs/dbraw/zinc/09/62/41/280096241.db2.gz VHRANLUWNUORQS-LSDHHAIUSA-N 1 0 296.455 2.403 10 0 CEAERO COC[C@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000187390624 280133703 /nfs/dbraw/zinc/13/37/03/280133703.db2.gz GBWDECYQWMKVFV-CHWSQXEVSA-N 1 0 286.416 2.258 10 0 CEAERO CC(C)COc1ccc(CN2CCCNC(=O)[C@H]2C)cc1 ZINC000189089002 280142471 /nfs/dbraw/zinc/14/24/71/280142471.db2.gz VMPATWGGOPNZMQ-CQSZACIVSA-N 1 0 290.407 2.432 10 0 CEAERO O[C@@H]1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccno1 ZINC000228489526 280217288 /nfs/dbraw/zinc/21/72/88/280217288.db2.gz BSAWUDZQWALPBT-HZSPNIEDSA-N 1 0 250.342 2.190 10 0 CEAERO C[C@@H](C[NH3+])Nc1ncc(Br)cc1Cl ZINC000235118602 280221207 /nfs/dbraw/zinc/22/12/07/280221207.db2.gz GWQLPTYUDDJKMN-YFKPBYRVSA-N 1 0 264.554 2.257 10 0 CEAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C[C@H]1CN(C)CCO1 ZINC000245462301 280242096 /nfs/dbraw/zinc/24/20/96/280242096.db2.gz WXNZQPJUOCYCAP-QXSJWSMHSA-N 1 0 268.445 2.367 10 0 CEAERO CCC[C@H](C(=O)N1C[C@@H]2CCCC[C@H]2C1)[NH+](C)C ZINC000245745250 280259423 /nfs/dbraw/zinc/25/94/23/280259423.db2.gz FTWCFFJXLUKFBR-MELADBBJSA-N 1 0 252.402 2.365 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)[C@H](C)C2(C)CC2)C1 ZINC000245876384 280263737 /nfs/dbraw/zinc/26/37/37/280263737.db2.gz INIUEDUJLPHQJJ-CHWSQXEVSA-N 1 0 267.417 2.301 10 0 CEAERO Cc1ccc(O)c(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000246588168 280302247 /nfs/dbraw/zinc/30/22/47/280302247.db2.gz YPTJWHDBPDEHCN-OCCSQVGLSA-N 1 0 276.380 2.159 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)CC(C)C)C1 ZINC000246674758 280305872 /nfs/dbraw/zinc/30/58/72/280305872.db2.gz LNKOEWUJUCDTNI-OLZOCXBDSA-N 1 0 255.406 2.205 10 0 CEAERO CC[N@@H+]1CC[C@@H](N(C)Cc2nnc(C(C)C)n2C)[C@@H](C)C1 ZINC000247032562 280318593 /nfs/dbraw/zinc/31/85/93/280318593.db2.gz MWFSODWSUPIODK-UONOGXRCSA-N 1 0 293.459 2.101 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CC[C@H](C)CC2)C1 ZINC000247185307 280322367 /nfs/dbraw/zinc/32/23/67/280322367.db2.gz PWBKCDFMLAQHCQ-MGPQQGTHSA-N 1 0 267.417 2.349 10 0 CEAERO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CCN(C)Cc1ccc(F)cc1 ZINC000248867170 280369860 /nfs/dbraw/zinc/36/98/60/280369860.db2.gz YSLZATFQDPVZDN-XOIINTDNSA-N 1 0 294.414 2.491 10 0 CEAERO CNC(=O)[C@H]([NH2+]C[C@H]1C(C)=CCC[C@@H]1C)C(C)C ZINC000249144797 280386587 /nfs/dbraw/zinc/38/65/87/280386587.db2.gz YQPZFHGIISGKFL-MELADBBJSA-N 1 0 252.402 2.339 10 0 CEAERO CC[C@H]1CC[C@H](C(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])CC1 ZINC000262231100 288241253 /nfs/dbraw/zinc/24/12/53/288241253.db2.gz NZEDXBWZLJMTKF-TUVASFSCSA-N 1 0 282.428 2.168 10 0 CEAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000300576772 280578786 /nfs/dbraw/zinc/57/87/86/280578786.db2.gz CVGGYCMKKDQYPF-KYOSRNDESA-N 1 0 267.344 2.344 10 0 CEAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)OCC(F)(F)F ZINC000083704943 288291225 /nfs/dbraw/zinc/29/12/25/288291225.db2.gz SYLNSGJFFGIYKB-NXEZZACHSA-N 1 0 280.290 2.244 10 0 CEAERO Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000423639908 281072892 /nfs/dbraw/zinc/07/28/92/281072892.db2.gz JSQSRFXXQQCXSX-WZRBSPASSA-N 1 0 296.798 2.364 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1csnc1C ZINC000182094646 288311238 /nfs/dbraw/zinc/31/12/38/288311238.db2.gz NTAVVBJURUZJLX-NWDGAFQWSA-N 1 0 279.409 2.150 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@@H](C)Cc2ccccc21 ZINC000223928329 288326152 /nfs/dbraw/zinc/32/61/52/288326152.db2.gz KBSVJUZHEWQNKL-OUCADQQQSA-N 1 0 258.365 2.067 10 0 CEAERO COCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(C)c1 ZINC000157297079 289210967 /nfs/dbraw/zinc/21/09/67/289210967.db2.gz CGERPRMZEAPFLC-ZIAGYGMSSA-N 1 0 278.396 2.187 10 0 CEAERO CN1CC[NH2+]C[C@@H]1c1noc([C@H]2C[C@H]2C2CCCCC2)n1 ZINC000263214946 290062461 /nfs/dbraw/zinc/06/24/61/290062461.db2.gz KSNATWZBFPIXRV-MELADBBJSA-N 1 0 290.411 2.330 10 0 CEAERO C[C@H](O)C[N@@H+]1CCN([C@@H](C)c2ccc(F)cc2F)C[C@H]1C ZINC000247579881 290116563 /nfs/dbraw/zinc/11/65/63/290116563.db2.gz IIAVBNNHZNYDOR-AGIUHOORSA-N 1 0 298.377 2.413 10 0 CEAERO Clc1cnc(N2CCC([C@@H]3CCC[NH2+]3)CC2)nc1 ZINC000168056800 294118937 /nfs/dbraw/zinc/11/89/37/294118937.db2.gz RPEKYMAYWPECEO-LBPRGKRZSA-N 1 0 266.776 2.098 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1Cl ZINC000038049287 295298488 /nfs/dbraw/zinc/29/84/88/295298488.db2.gz GTPVFVJZFAVFQX-NEPJUHHUSA-N 1 0 252.745 2.340 10 0 CEAERO C[C@H](C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccccc1 ZINC000122055570 298052892 /nfs/dbraw/zinc/05/28/92/298052892.db2.gz IXFKVGPJAPMFRP-GOEBONIOSA-N 1 0 272.392 2.487 10 0 CEAERO C/C(=C/c1ccccc1)C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000530460127 298072833 /nfs/dbraw/zinc/07/28/33/298072833.db2.gz DXPNURBCSFENLF-FZDNWWAKSA-N 1 0 258.365 2.300 10 0 CEAERO CC1(C)CCc2ccccc2[C@H]1[NH2+]CC1(CO)COC1 ZINC000543472955 298310526 /nfs/dbraw/zinc/31/05/26/298310526.db2.gz QSNQQYVZJPMCCA-OAHLLOKOSA-N 1 0 275.392 2.299 10 0 CEAERO CCc1nc(C)c(CN[C@H](C)[C@@H]2CCC[NH2+]C2)o1 ZINC000562956910 298725219 /nfs/dbraw/zinc/72/52/19/298725219.db2.gz ALFFBQLRXULOSF-ZYHUDNBSSA-N 1 0 251.374 2.023 10 0 CEAERO C[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1nccs1 ZINC000567343983 299054790 /nfs/dbraw/zinc/05/47/90/299054790.db2.gz MPPIYNGPLNFLSP-WOPDTQHZSA-N 1 0 253.415 2.224 10 0 CEAERO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000248883291 302163787 /nfs/dbraw/zinc/16/37/87/302163787.db2.gz SWGNPNJZJXZUJT-QCEMKRCNSA-N 1 0 272.392 2.355 10 0 CEAERO Cc1nc(CN[C@H](C)[C@@H]2CCC[NH2+]C2)sc1C ZINC000571651933 314100599 /nfs/dbraw/zinc/10/05/99/314100599.db2.gz IRGAMXVIDDMNBW-ZYHUDNBSSA-N 1 0 253.415 2.238 10 0 CEAERO [NH3+]C[C@H]1CC[C@@H](Nc2nccc(C(F)(F)F)n2)C1 ZINC000382454565 321840023 /nfs/dbraw/zinc/84/00/23/321840023.db2.gz IEWOQFXAAWFONV-JGVFFNPUSA-N 1 0 260.263 2.035 10 0 CEAERO C[C@@H]1C[NH2+]CC[C@]12C[C@@H](N(C)C(=O)OC(C)(C)C)CO2 ZINC000536956544 330383276 /nfs/dbraw/zinc/38/32/76/330383276.db2.gz YOSXSJFSPCDHIN-JMSVASOKSA-N 1 0 284.400 2.010 10 0 CEAERO C[C@@H]1C[NH2+]CC[C@]12C[C@H](N(C)C(=O)OC(C)(C)C)CO2 ZINC000536956556 330383285 /nfs/dbraw/zinc/38/32/85/330383285.db2.gz YOSXSJFSPCDHIN-XUJVJEKNSA-N 1 0 284.400 2.010 10 0 CEAERO CC(C)CCCOC[C@]([NH2+]C(C)C)(C(N)=O)C1CC1 ZINC000069195778 519642769 /nfs/dbraw/zinc/64/27/69/519642769.db2.gz ACCMZZRASOEOIB-OAHLLOKOSA-N 1 0 270.417 2.071 10 0 CEAERO CC(C)N[C@](C)(C[C@H](C)[N@H+](C)CC1CCCC1)C(N)=O ZINC000068647049 519740107 /nfs/dbraw/zinc/74/01/07/519740107.db2.gz LHLQFXLSEVCJBR-XJKSGUPXSA-N 1 0 283.460 2.129 10 0 CEAERO CC(C)[C@H](CN(C)C)[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000049199199 519814605 /nfs/dbraw/zinc/81/46/05/519814605.db2.gz ZSACJHSPDVSJOP-AWEZNQCLSA-N 1 0 266.433 2.314 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N(C)c1ccccc1OC ZINC000061299308 519903187 /nfs/dbraw/zinc/90/31/87/519903187.db2.gz INJWRWOTMLUDTN-UHFFFAOYSA-N 1 0 250.342 2.046 10 0 CEAERO CCC[NH2+]CCCOCc1ccc2c(c1)OCO2 ZINC000052625008 519913382 /nfs/dbraw/zinc/91/33/82/519913382.db2.gz UGTBMDZBVQTDGE-UHFFFAOYSA-N 1 0 251.326 2.322 10 0 CEAERO CCC[NH2+]CCCc1c(C)nc(N(C)C)nc1C ZINC000054837673 519914344 /nfs/dbraw/zinc/91/43/44/519914344.db2.gz BNOZFDUFYDKCBL-UHFFFAOYSA-N 1 0 250.390 2.092 10 0 CEAERO CC[NH2+]CCC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000061286858 519917690 /nfs/dbraw/zinc/91/76/90/519917690.db2.gz NZVCGQOURAOQGA-UHFFFAOYSA-N 1 0 286.759 2.295 10 0 CEAERO CCC[NH2+]C[C@@H](Oc1ccc(S(C)(=O)=O)cc1)C(C)C ZINC000052701916 519921764 /nfs/dbraw/zinc/92/17/64/519921764.db2.gz BTQZACHBJQBZEC-OAHLLOKOSA-N 1 0 299.436 2.493 10 0 CEAERO CC(C)n1c(S[C@@H](c2ccsc2)[C@@H](C)[NH3+])n[nH]c1=O ZINC000061595197 519923990 /nfs/dbraw/zinc/92/39/90/519923990.db2.gz TZPIMGUSIGLDTO-PSASIEDQSA-N 1 0 298.437 2.394 10 0 CEAERO CCC[NH2+]C[C@](C)(O)CCc1ccc(OC)cc1 ZINC000055028500 519941121 /nfs/dbraw/zinc/94/11/21/519941121.db2.gz SOQLLFCHDCPEOP-OAHLLOKOSA-N 1 0 251.370 2.378 10 0 CEAERO CCC[NH2+]Cc1cnc(N(C)[C@@H](C)COC)s1 ZINC000054906726 519961969 /nfs/dbraw/zinc/96/19/69/519961969.db2.gz PKSUMGXHLPAPOL-JTQLQIEISA-N 1 0 257.403 2.114 10 0 CEAERO CCC[NH2+]Cc1nnnn1[C@H](C)c1ccccc1Cl ZINC000054747802 519971908 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520055537 /nfs/dbraw/zinc/05/55/37/520055537.db2.gz ZLVLBNULUGGEIX-QGZVFWFLSA-N 1 0 292.423 2.272 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000061272514 520061818 /nfs/dbraw/zinc/06/18/18/520061818.db2.gz CRYRAHKEMVYEFM-WFASDCNBSA-N 1 0 294.370 2.114 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000061273432 520065351 /nfs/dbraw/zinc/06/53/51/520065351.db2.gz AVNANQHEARFQHT-RYUDHWBXSA-N 1 0 294.395 2.269 10 0 CEAERO CCC[NH2+][C@H](C)c1ccc(F)cc1OC[C@H](O)COC ZINC000069053937 520065503 /nfs/dbraw/zinc/06/55/03/520065503.db2.gz SAXFQICRCQNPSB-DGCLKSJQSA-N 1 0 285.359 2.272 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(NC(=O)N(C)CCOC)cc1 ZINC000048925490 520076335 /nfs/dbraw/zinc/07/63/35/520076335.db2.gz UHZSESYNCILWOS-LBPRGKRZSA-N 1 0 279.384 2.467 10 0 CEAERO CC[NH2+][C@@H](CC)COc1c(OC)cccc1OC ZINC000050180760 520081391 /nfs/dbraw/zinc/08/13/91/520081391.db2.gz SOKVIKRIXDIPTQ-NSHDSACASA-N 1 0 253.342 2.471 10 0 CEAERO CCC[NH2+][C@H](CN1CCCOCC1)c1cccc(OC)c1 ZINC000061918100 520081868 /nfs/dbraw/zinc/08/18/68/520081868.db2.gz BCIDMIYPFLNIIG-QGZVFWFLSA-N 1 0 292.423 2.458 10 0 CEAERO CC[NH2+][C@@H](CC)c1ccc(O[C@H](CC)C(N)=O)cc1 ZINC000061675872 520084887 /nfs/dbraw/zinc/08/48/87/520084887.db2.gz UODIHLQYSNFRTA-UONOGXRCSA-N 1 0 264.369 2.390 10 0 CEAERO CCC[NH2+][C@H](CS(C)(=O)=O)c1cc(F)ccc1C ZINC000055228741 520085653 /nfs/dbraw/zinc/08/56/53/520085653.db2.gz TUWGBDLUQHTPJP-CYBMUJFWSA-N 1 0 273.373 2.219 10 0 CEAERO CCC[NH2+][C@H](Cn1ncc2ccccc2c1=O)C1CC1 ZINC000069076613 520088222 /nfs/dbraw/zinc/08/82/22/520088222.db2.gz YNBZWTVZKSDIRI-OAHLLOKOSA-N 1 0 271.364 2.175 10 0 CEAERO CCC[NH2+][C@H](Cn1ncccc1=O)c1ccc(C)cc1 ZINC000061402210 520088854 /nfs/dbraw/zinc/08/88/54/520088854.db2.gz NJNDTXRQSGOTLT-OAHLLOKOSA-N 1 0 271.364 2.293 10 0 CEAERO CCC[NH2+][C@H]1CCCc2nc(CS(C)(=O)=O)sc21 ZINC000052789312 520094853 /nfs/dbraw/zinc/09/48/53/520094853.db2.gz MHVURZODQSPLDD-VIFPVBQESA-N 1 0 288.438 2.065 10 0 CEAERO CC[NH2+][C@@H](CC[C@H]1CCCCO1)Cc1ncc[nH]1 ZINC000069391981 520098287 /nfs/dbraw/zinc/09/82/87/520098287.db2.gz YFOPCKXYFYCWOY-QWHCGFSZSA-N 1 0 251.374 2.280 10 0 CEAERO CCC[NH2+][C@H]1COc2cc(OCc3nccn3C)ccc21 ZINC000062805070 520098310 /nfs/dbraw/zinc/09/83/10/520098310.db2.gz ZFKOSGFJAMZUCL-AWEZNQCLSA-N 1 0 287.363 2.432 10 0 CEAERO CC[NH2+][C@@H](CN1c2ccccc2CCC1=O)C1CC1 ZINC000069076472 520100410 /nfs/dbraw/zinc/10/04/10/520100410.db2.gz ABCIVJNYSLEXIG-AWEZNQCLSA-N 1 0 258.365 2.354 10 0 CEAERO CCOC[C@@H](O)C[NH2+]C[C@H](c1ccccc1)N(CC)CC ZINC000069277060 520101507 /nfs/dbraw/zinc/10/15/07/520101507.db2.gz WVTZLERYNXYKML-DLBZAZTESA-N 1 0 294.439 2.057 10 0 CEAERO CC[NH2+][C@@H](CS(C)(=O)=O)C12CC3CC(CC(C3)C1)C2 ZINC000054930402 520102631 /nfs/dbraw/zinc/10/26/31/520102631.db2.gz CWUBBZKZDGFABN-IHXHZNKUSA-N 1 0 285.453 2.226 10 0 CEAERO CCC[NH2+][C@](C)(CCN(CC)c1ccccc1F)C(N)=O ZINC000050012731 520105830 /nfs/dbraw/zinc/10/58/30/520105830.db2.gz ULHNLTATTRNIEC-MRXNPFEDSA-N 1 0 295.402 2.286 10 0 CEAERO CC[NH2+][C@@H](c1cc(C)oc1C)C(C)(C)S(C)(=O)=O ZINC000070129211 520107166 /nfs/dbraw/zinc/10/71/66/520107166.db2.gz MPQHWTGIKIWZLI-LBPRGKRZSA-N 1 0 273.398 2.370 10 0 CEAERO CCCN[C@](C)(C[N@@H+]1CCCC(C)(C)C1)C(=O)OCC ZINC000069516726 520107200 /nfs/dbraw/zinc/10/72/00/520107200.db2.gz KCKWCRWDHCHQBV-MRXNPFEDSA-N 1 0 284.444 2.430 10 0 CEAERO CC[NH2+][C@@H](c1ccc2c(c1)CC(=O)N2C)[C@H]1CCCCO1 ZINC000050962162 520112365 /nfs/dbraw/zinc/11/23/65/520112365.db2.gz PTBZYXPJGQUPDF-WBVHZDCISA-N 1 0 288.391 2.425 10 0 CEAERO CC[NH2+][C@@H](c1ccc2c(c1)OCCCO2)c1cnccn1 ZINC000055224646 520112750 /nfs/dbraw/zinc/11/27/50/520112750.db2.gz MQDKPOIEGKGZHZ-INIZCTEOSA-N 1 0 285.347 2.337 10 0 CEAERO CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1N1CCOCC1 ZINC000054554570 520120985 /nfs/dbraw/zinc/12/09/85/520120985.db2.gz MNBZXXVVVYDTPB-KFWWJZLASA-N 1 0 254.418 2.121 10 0 CEAERO CC[NH2+][C@@](C)(CCCOc1ccc2c(c1)CCC2)C(N)=O ZINC000045504972 520132887 /nfs/dbraw/zinc/13/28/87/520132887.db2.gz SJWSIWUBSWVLOL-KRWDZBQOSA-N 1 0 290.407 2.188 10 0 CEAERO CC[NH2+][C@@](C)(CCC[NH+]1Cc2ccccc2C1)C(=O)[O-] ZINC000050912195 520133166 /nfs/dbraw/zinc/13/31/66/520133166.db2.gz SSPGXVPILLEALW-INIZCTEOSA-N 1 0 276.380 2.235 10 0 CEAERO CC[NH2+][C@@](C)(CCSCc1ccccc1)C(N)=O ZINC000045556660 520135280 /nfs/dbraw/zinc/13/52/80/520135280.db2.gz BVQFIKSXKSKGQI-AWEZNQCLSA-N 1 0 266.410 2.163 10 0 CEAERO CCCNc1ccc(CN(C)CC[NH+]2CCCC2)cn1 ZINC000063053407 520155617 /nfs/dbraw/zinc/15/56/17/520155617.db2.gz YOBGBQUCUOSDHN-UHFFFAOYSA-N 1 0 276.428 2.431 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000061268833 520168030 /nfs/dbraw/zinc/16/80/30/520168030.db2.gz JHPJWDWKQYNYER-SNVBAGLBSA-N 1 0 296.367 2.039 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1cccc(Cn2ccnc2)c1 ZINC000061270084 520170613 /nfs/dbraw/zinc/17/06/13/520170613.db2.gz LKYYNBVQQOKTIJ-CYBMUJFWSA-N 1 0 286.379 2.258 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000061271081 520170845 /nfs/dbraw/zinc/17/08/45/520170845.db2.gz IZZBRJJZBKKQTB-LLVKDONJSA-N 1 0 272.352 2.403 10 0 CEAERO CC[NH2+][C@H](C)c1cccc(OCCC(=O)OC)c1 ZINC000069317112 520179864 /nfs/dbraw/zinc/17/98/64/520179864.db2.gz VVHVAHUIHFFUED-LLVKDONJSA-N 1 0 251.326 2.299 10 0 CEAERO CC[NH2+][C@H](CC[N@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000062451251 520185433 /nfs/dbraw/zinc/18/54/33/520185433.db2.gz XKTJODMHOKBHJT-CYBMUJFWSA-N 1 0 256.390 2.094 10 0 CEAERO CC[NH2+][C@H](CN1CCCOCC1)c1ccccc1OC ZINC000061918056 520195909 /nfs/dbraw/zinc/19/59/09/520195909.db2.gz GBPXPQNIUDYRRF-OAHLLOKOSA-N 1 0 278.396 2.068 10 0 CEAERO CC[NH2+][C@H](Cc1ccc(OC)c(OC)c1)[C@@H]1CCOC1 ZINC000048627686 520202757 /nfs/dbraw/zinc/20/27/57/520202757.db2.gz LURBAYCLFBDDDC-ZIAGYGMSSA-N 1 0 279.380 2.261 10 0 CEAERO CC[NH2+][C@H](c1ccc(OC)c(C)c1)[C@@H]1COCCO1 ZINC000055300288 520208652 /nfs/dbraw/zinc/20/86/52/520208652.db2.gz TTZOLGUHRSAMEA-LSDHHAIUSA-N 1 0 265.353 2.070 10 0 CEAERO CC[NH2+][C@H](c1ccc2c(c1)CC(C)(C)O2)[C@H]1COCCO1 ZINC000055301518 520209671 /nfs/dbraw/zinc/20/96/71/520209671.db2.gz OPMFLBQWMZTBBL-HZPDHXFCSA-N 1 0 291.391 2.466 10 0 CEAERO CC[NH2+][C@H]1CCCc2nc(N3CCOC[C@@H]3C)sc21 ZINC000054903547 520215236 /nfs/dbraw/zinc/21/52/36/520215236.db2.gz DVJVJRKLPYKDNC-QWRGUYRKSA-N 1 0 281.425 2.355 10 0 CEAERO CC[NH2+][C@](C)(CCCN(CC)c1ccc(F)cc1)C(N)=O ZINC000050012833 520227018 /nfs/dbraw/zinc/22/70/18/520227018.db2.gz XAFCRPSCFPEVDP-MRXNPFEDSA-N 1 0 295.402 2.286 10 0 CEAERO CC[NH2+][C@](C)(CCC[N@@H+]1CCCC(C)(C)C1)C(=O)[O-] ZINC000069517141 520227084 /nfs/dbraw/zinc/22/70/84/520227084.db2.gz YZHRKNPWKAYHLS-OAHLLOKOSA-N 1 0 270.417 2.341 10 0 CEAERO CCN[C@](C)(CC[N@@H+]1CCCC(C)(C)C1)C(=O)OC ZINC000069517136 520229614 /nfs/dbraw/zinc/22/96/14/520229614.db2.gz OZZXOYVGVNQTRC-OAHLLOKOSA-N 1 0 270.417 2.040 10 0 CEAERO CCN[C@](C)(C[C@@H](C)[N@H+](C)C1CCC(C)CC1)C(N)=O ZINC000068637475 520233297 /nfs/dbraw/zinc/23/32/97/520233297.db2.gz WHLXKHOOGPHOIQ-YWIABWOTSA-N 1 0 283.460 2.129 10 0 CEAERO CCN[C@](C)(C[C@H](C)[NH+]1Cc2ccccc2C1)C(=O)OC ZINC000068641992 520239569 /nfs/dbraw/zinc/23/95/69/520239569.db2.gz WZOPTDBRYMZFGR-SUMWQHHRSA-N 1 0 290.407 2.322 10 0 CEAERO CCN[C@](C[N@H+](C)[C@@H]1CCCC[C@@H]1C)(C(=O)OC)C1CC1 ZINC000069132448 520244355 /nfs/dbraw/zinc/24/43/55/520244355.db2.gz DVBIGHPJIOQKLU-LXZKKBNFSA-N 1 0 296.455 2.428 10 0 CEAERO CCCO[C@H]1CCCN(C(=O)C2CCC(C[NH3+])CC2)C1 ZINC000055162076 520279518 /nfs/dbraw/zinc/27/95/18/520279518.db2.gz ZXCQGWZRSYXAIE-NRXISQOPSA-N 1 0 282.428 2.169 10 0 CEAERO CCNc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000050777808 520288906 /nfs/dbraw/zinc/28/89/06/520288906.db2.gz PKKCRURNCXQDFX-OAHLLOKOSA-N 1 0 275.396 2.333 10 0 CEAERO CCNc1ccc(Cl)c(C(=O)N[C@@H](C)CC[NH+](C)C)n1 ZINC000050788275 520307899 /nfs/dbraw/zinc/30/78/99/520307899.db2.gz ANNWQPHNNYZHHE-JTQLQIEISA-N 1 0 298.818 2.237 10 0 CEAERO CCN(CC(=O)NC(C)C)c1cc(Cl)ccc1C[NH3+] ZINC000062786941 520324893 /nfs/dbraw/zinc/32/48/93/520324893.db2.gz BLNWMIGMWMUDAH-UHFFFAOYSA-N 1 0 283.803 2.150 10 0 CEAERO CCNc1cccc(C(=O)N2CC[NH+]([C@H](C)CC)CC2)n1 ZINC000055085358 520333513 /nfs/dbraw/zinc/33/35/13/520333513.db2.gz IZNCLGVNUWCSMZ-CYBMUJFWSA-N 1 0 290.411 2.070 10 0 CEAERO CCNc1ccnc(C(=O)N2CC[NH+](C(C)(C)C)CC2)c1 ZINC000050789004 520345189 /nfs/dbraw/zinc/34/51/89/520345189.db2.gz RBEPNFKWWROOIY-UHFFFAOYSA-N 1 0 290.411 2.070 10 0 CEAERO CCNc1nc2ccccc2cc1C[N@@H+]1CC[C@@H](O)C1 ZINC000061711584 520359688 /nfs/dbraw/zinc/35/96/88/520359688.db2.gz RWJIXZLXLUJLPR-CQSZACIVSA-N 1 0 271.364 2.233 10 0 CEAERO CCCOc1ccc(C[C@H](C[NH3+])C(=O)N2CCCC2)cc1 ZINC000052919434 520376289 /nfs/dbraw/zinc/37/62/89/520376289.db2.gz VINGGQDPHZFXAX-OAHLLOKOSA-N 1 0 290.407 2.215 10 0 CEAERO CCCOc1ccc(NC(=O)[C@@H](CC)C[NH3+])cc1 ZINC000051785648 520397856 /nfs/dbraw/zinc/39/78/56/520397856.db2.gz ZNVVUKUMXYUKQQ-NSHDSACASA-N 1 0 250.342 2.399 10 0 CEAERO CCCOc1ccc([C@@H](C[NH3+])N(C)[C@@H](C)COC)cc1 ZINC000052920085 520417855 /nfs/dbraw/zinc/41/78/55/520417855.db2.gz RFSJSJKXXMKYOC-XJKSGUPXSA-N 1 0 280.412 2.442 10 0 CEAERO CCCOc1cccc(C(=O)N(CC[NH3+])C2CC2)c1 ZINC000061667236 520439998 /nfs/dbraw/zinc/43/99/98/520439998.db2.gz AQAFJLUPGOXMBL-UHFFFAOYSA-N 1 0 262.353 2.039 10 0 CEAERO CCCOc1cccc(C(=O)N2[C@H](C)C[NH2+]C[C@H]2C)c1 ZINC000069133465 520443078 /nfs/dbraw/zinc/44/30/78/520443078.db2.gz XGRUPQJKWHHSFZ-CHWSQXEVSA-N 1 0 276.380 2.298 10 0 CEAERO CCO[C@H](C[NH3+])CCn1cc(-c2ccccc2)cn1 ZINC000062741479 520517421 /nfs/dbraw/zinc/51/74/21/520517421.db2.gz CGFWFMVQFUMREE-HNNXBMFYSA-N 1 0 259.353 2.304 10 0 CEAERO CC1(C)Cc2c(ccn2[C@@H]2CCCS(=O)(=O)C2)[C@@H]([NH3+])C1 ZINC000069146150 520575410 /nfs/dbraw/zinc/57/54/10/520575410.db2.gz WADXYFUQTWHBKD-YPMHNXCESA-N 1 0 296.436 2.210 10 0 CEAERO CC1(C)Cc2cccc(OCC[NH2+]C[C@H]3CCOC3)c2O1 ZINC000053565260 520584032 /nfs/dbraw/zinc/58/40/32/520584032.db2.gz MVEAETPTEDJSMV-CYBMUJFWSA-N 1 0 291.391 2.405 10 0 CEAERO CCC[C@@H](C)C[C@H](C[NH2+]C)[C@@H]1CCS(=O)(=O)C1 ZINC000052949996 520636718 /nfs/dbraw/zinc/63/67/18/520636718.db2.gz HMFMBXJATULHSV-JHJVBQTASA-N 1 0 261.431 2.083 10 0 CEAERO CCCCNC(=O)[C@@H](C)[NH2+][C@H]1CCc2ccccc2C1 ZINC000052396225 520650769 /nfs/dbraw/zinc/65/07/69/520650769.db2.gz VVLOFFZYZLJKPK-CJNGLKHVSA-N 1 0 274.408 2.438 10 0 CEAERO CCOc1cc(C[NH2+]C(C)(C)C)ccc1O[C@@H](C)C(N)=O ZINC000062731134 520707432 /nfs/dbraw/zinc/70/74/32/520707432.db2.gz JBEFOOLECTZDNG-NSHDSACASA-N 1 0 294.395 2.226 10 0 CEAERO CCC[C@@H](C[NH2+]C)[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000052969124 520707790 /nfs/dbraw/zinc/70/77/90/520707790.db2.gz ZSSPPHUYOBIZGQ-AAEUAGOBSA-N 1 0 267.394 2.193 10 0 CEAERO CC[NH+](CC)CCc1nc(C)c(C(C)C)c(N)n1 ZINC000061687304 520711979 /nfs/dbraw/zinc/71/19/79/520711979.db2.gz HHNXNZDGFURGNN-UHFFFAOYSA-N 1 0 250.390 2.375 10 0 CEAERO CC[NH+](CC)C[C@H](C)NC(=O)c1cc(N)c(C)c(F)c1 ZINC000045661828 520733076 /nfs/dbraw/zinc/73/30/76/520733076.db2.gz JMERHZUWBABAIL-JTQLQIEISA-N 1 0 281.375 2.176 10 0 CEAERO CC[NH+](CC)C[C@H](C)Nc1ncccc1C(=O)OC ZINC000050046125 520735047 /nfs/dbraw/zinc/73/50/47/520735047.db2.gz IKSZNTUEUKAOIO-NSHDSACASA-N 1 0 265.357 2.010 10 0 CEAERO CCCCOCCNC(=O)[C@@H]1CCC[C@H](CC[NH3+])C1 ZINC000055162042 520777545 /nfs/dbraw/zinc/77/75/45/520777545.db2.gz OYMGTWSBYSCDRB-ZIAGYGMSSA-N 1 0 270.417 2.075 10 0 CEAERO CCC[C@@H]1CN(CCn2cccn2)[C@H](C(C)(C)C)C[NH2+]1 ZINC000068701215 520837692 /nfs/dbraw/zinc/83/76/92/520837692.db2.gz HXXYYMDZDSCQMQ-CABCVRRESA-N 1 0 278.444 2.372 10 0 CEAERO CC1=NN(Cc2cccc(C)c2)C(=O)[C@H]1CCC[NH3+] ZINC000069506434 520890540 /nfs/dbraw/zinc/89/05/40/520890540.db2.gz LAFRRRCKCXCHLM-AWEZNQCLSA-N 1 0 259.353 2.068 10 0 CEAERO CC1CCC(N(C)C(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000054291329 520930385 /nfs/dbraw/zinc/93/03/85/520930385.db2.gz VBEMCTFUIPRLPB-MOKVOYLWSA-N 1 0 252.402 2.413 10 0 CEAERO CC1CCC(NC(=O)[C@@H]2CCC[C@H](C[NH3+])C2)CC1 ZINC000055146045 520949898 /nfs/dbraw/zinc/94/98/98/520949898.db2.gz ZOXZYCCTOPGULB-YIFLHPOLSA-N 1 0 252.402 2.446 10 0 CEAERO CC[N@H+](CC1CC1)[C@H](C)C(=O)Nc1cc(N)ccc1F ZINC000069237158 520966119 /nfs/dbraw/zinc/96/61/19/520966119.db2.gz ATJFVAJISQVACO-SNVBAGLBSA-N 1 0 279.359 2.467 10 0 CEAERO CCOC(=O)Nc1ccc(NC(=O)C(C)(C)[NH2+]C)cc1 ZINC000061300885 520994596 /nfs/dbraw/zinc/99/45/96/520994596.db2.gz OSMMGOGOUNIPCP-UHFFFAOYSA-N 1 0 279.340 2.192 10 0 CEAERO CCOC(=O)[C@@H](C)C[NH2+]CCc1cc(F)cc(F)c1 ZINC000060718223 521005724 /nfs/dbraw/zinc/00/57/24/521005724.db2.gz YUPOKKZMMCRQQB-JTQLQIEISA-N 1 0 271.307 2.296 10 0 CEAERO CCCC[C@@H](C)NC(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000051091838 521006300 /nfs/dbraw/zinc/00/63/00/521006300.db2.gz VYIBEAGFUDMXFZ-MRVPVSSYSA-N 1 0 270.764 2.329 10 0 CEAERO CCOc1ccc(Cl)cc1NC(=O)[C@@H]([NH3+])CCOC ZINC000052808161 521015313 /nfs/dbraw/zinc/01/53/13/521015313.db2.gz PGONGQPBEQJXOC-JTQLQIEISA-N 1 0 286.759 2.041 10 0 CEAERO CCOC(=O)[C@@H](C[NH+]1CCC(CC)(CC)CC1)NC ZINC000062956499 521063553 /nfs/dbraw/zinc/06/35/53/521063553.db2.gz QATLVYNNBNXBOV-CYBMUJFWSA-N 1 0 270.417 2.040 10 0 CEAERO CCN(CC[NH2+]C[C@@H]1CCOC1)c1cccc(C)c1 ZINC000053389195 521079499 /nfs/dbraw/zinc/07/94/99/521079499.db2.gz QKIVNMKGZBHIHI-HNNXBMFYSA-N 1 0 262.397 2.447 10 0 CEAERO CCOc1ccc(NC(=O)c2cc[nH+]c(NN)c2)cc1 ZINC000051089284 521120072 /nfs/dbraw/zinc/12/00/72/521120072.db2.gz DMRKNRKWKGFIGE-UHFFFAOYSA-N 1 0 272.308 2.018 10 0 CEAERO CCN(CCOC)c1cccc(Cl)c1C(N)=[NH2+] ZINC000052905561 521141455 /nfs/dbraw/zinc/14/14/55/521141455.db2.gz YFVWHTLYCNWDKV-UHFFFAOYSA-N 1 0 255.749 2.097 10 0 CEAERO CCOC(=O)[C@@](C)(C[C@H](C)[N@H+]1C[C@H](C)C[C@H](C)C1)NC ZINC000068618200 521149619 /nfs/dbraw/zinc/14/96/19/521149619.db2.gz DVFDLLPMRIBDNL-KNCOVGOOSA-N 1 0 284.444 2.284 10 0 CEAERO CCOC(=O)[C@@](C)([NH3+])CCn1cc(-c2ccccc2)cn1 ZINC000054961948 521153488 /nfs/dbraw/zinc/15/34/88/521153488.db2.gz BNLVCTGHPJGCLI-INIZCTEOSA-N 1 0 287.363 2.221 10 0 CEAERO CCOC(=O)[C@@](C)([NH3+])CCCn1nc(C)c(Cl)c1C ZINC000050588065 521155008 /nfs/dbraw/zinc/15/50/08/521155008.db2.gz OWLVTFYYDBVMND-ZDUSSCGKSA-N 1 0 287.791 2.214 10 0 CEAERO CCOC(=O)[C@@](C)([NH3+])C[C@H](C)n1ccc(C(F)(F)F)n1 ZINC000068649340 521157052 /nfs/dbraw/zinc/15/70/52/521157052.db2.gz MFXAZLIRZZPSJI-KWQFWETISA-N 1 0 293.289 2.134 10 0 CEAERO CCOC(=O)[C@@](C)(N)C[C@H](C)[NH+]1Cc2ccccc2C1 ZINC000068641932 521157104 /nfs/dbraw/zinc/15/71/04/521157104.db2.gz UXFMABWWWAMFSQ-LRDDRELGSA-N 1 0 276.380 2.061 10 0 CEAERO CCOC(=O)[C@@](C[N@H+](C)[C@@H](C)C(C)C)(NC1CC1)C1CC1 ZINC000069099612 521164483 /nfs/dbraw/zinc/16/44/83/521164483.db2.gz NYRLMXHFBHGVTJ-GUYCJALGSA-N 1 0 296.455 2.427 10 0 CEAERO CCCC[C@H](CC)C[C@@]1(C[NH3+])CCS(=O)(=O)C1 ZINC000054635232 521181605 /nfs/dbraw/zinc/18/16/05/521181605.db2.gz NQUBMNKMVMYKGT-QWHCGFSZSA-N 1 0 261.431 2.357 10 0 CEAERO CCOC(=O)[C@@]1(N2CCC[NH2+]CC2)C[C@H](C)CC[C@@H]1C ZINC000068631362 521183243 /nfs/dbraw/zinc/18/32/43/521183243.db2.gz WBWKBEATBMMEEI-IJEWVQPXSA-N 1 0 282.428 2.040 10 0 CEAERO CCOC(=O)[C@H](CC[N@H+](CC)C1CCCC1)NC1CC1 ZINC000062448451 521241851 /nfs/dbraw/zinc/24/18/51/521241851.db2.gz UHNQVEFJHWJKGT-HNNXBMFYSA-N 1 0 282.428 2.325 10 0 CEAERO CCOC(=O)[C@H](C[N@H+](C)C(C)(C)CC)NC(C)C ZINC000069446546 521250663 /nfs/dbraw/zinc/25/06/63/521250663.db2.gz IWXCHXNHFDMCMC-LBPRGKRZSA-N 1 0 258.406 2.037 10 0 CEAERO CCOc1ccc([C@@](O)([C@H](C)[NH3+])C(F)(F)F)cc1 ZINC000062784299 521251348 /nfs/dbraw/zinc/25/13/48/521251348.db2.gz YRDKJLFEPJWQEK-KWQFWETISA-N 1 0 263.259 2.182 10 0 CEAERO CCN(C[C@H]([NH2+]C)c1ccc2c(c1)OCCO2)CC1CC1 ZINC000069238054 521260256 /nfs/dbraw/zinc/26/02/56/521260256.db2.gz HIMAQHMJJNVDIE-HNNXBMFYSA-N 1 0 290.407 2.450 10 0 CEAERO CCN(C[C@H]1CCCO1)[C@@H](C[NH2+]C1CC1)C(C)C ZINC000052510504 521268687 /nfs/dbraw/zinc/26/86/87/521268687.db2.gz UAPRMCDDNQZOLZ-CABCVRRESA-N 1 0 254.418 2.264 10 0 CEAERO CCOC(=O)[C@](C)(C[C@H](C)[N@@H+]1CCC[C@@H](CC)C1)NC ZINC000068625715 521324692 /nfs/dbraw/zinc/32/46/92/521324692.db2.gz GOHBWXQOVGCWJU-LZWOXQAQSA-N 1 0 284.444 2.428 10 0 CEAERO CCC[C@]1(c2nc3ccccc3n2CCO)CCC[NH2+]C1 ZINC000062869220 521325566 /nfs/dbraw/zinc/32/55/66/521325566.db2.gz LYJPQCSQIPCCQU-KRWDZBQOSA-N 1 0 287.407 2.450 10 0 CEAERO CCOC(=O)[C@](C)([NH3+])C[C@@H](C)n1ncc2ccccc21 ZINC000068649714 521330030 /nfs/dbraw/zinc/33/00/30/521330030.db2.gz OWLGXVSWIZRDAP-IAQYHMDHSA-N 1 0 275.352 2.268 10 0 CEAERO CCOC(=O)[C@](C[N@@H+]1CCC[C@@H](CC)C1)(NC)C1CC1 ZINC000069099971 521340253 /nfs/dbraw/zinc/34/02/53/521340253.db2.gz LHSYGAPKFOQWJM-CZUORRHYSA-N 1 0 282.428 2.040 10 0 CEAERO CCOC(=O)[C@]1(N2CCC[NH2+]CC2)CC[C@H](C)C[C@@H]1C ZINC000068631383 521358525 /nfs/dbraw/zinc/35/85/25/521358525.db2.gz XUBLNEDIYCQAIF-DZKIICNBSA-N 1 0 282.428 2.040 10 0 CEAERO CC[N@H+](Cc1cccnc1C(N)=S)C1CCCC1 ZINC000061659728 521398539 /nfs/dbraw/zinc/39/85/39/521398539.db2.gz YSIDNUIKASUKLQ-UHFFFAOYSA-N 1 0 263.410 2.480 10 0 CEAERO CCCc1ccc([C@H](CN2CCN(C)C2=O)[NH2+]C)cc1 ZINC000052885588 521418766 /nfs/dbraw/zinc/41/87/66/521418766.db2.gz WDUIOVPPQRTDHL-HNNXBMFYSA-N 1 0 275.396 2.267 10 0 CEAERO CCCN(C(=O)[C@@H](OC)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000050437481 521433757 /nfs/dbraw/zinc/43/37/57/521433757.db2.gz AHRTYKPRBJYXIC-CVEARBPZSA-N 1 0 290.407 2.365 10 0 CEAERO CCC(CC)(C[NH2+]C1CC1)CN(CCOC)CCOC ZINC000051258315 521439456 /nfs/dbraw/zinc/43/94/56/521439456.db2.gz PNGRPXARMQNHMR-UHFFFAOYSA-N 1 0 286.460 2.140 10 0 CEAERO CCCc1ccccc1NS(=O)(=O)C[C@@H]1CCC[NH2+]1 ZINC000049646480 521446152 /nfs/dbraw/zinc/44/61/52/521446152.db2.gz HOFBJFJITSVJOE-ZDUSSCGKSA-N 1 0 282.409 2.133 10 0 CEAERO CCN(c1cccc(Cl)c1C(N)=[NH2+])[C@@H](C)COC ZINC000052905829 521496535 /nfs/dbraw/zinc/49/65/35/521496535.db2.gz RHKZNYCIYYRYIM-VIFPVBQESA-N 1 0 269.776 2.485 10 0 CEAERO CCOC(=O)c1ccc(NC(=O)C[C@H]2CCC[NH2+]C2)cc1 ZINC000054308867 521500448 /nfs/dbraw/zinc/50/04/48/521500448.db2.gz LXJKYGQCJGQNTN-GFCCVEGCSA-N 1 0 290.363 2.192 10 0 CEAERO CCCc1nc(COc2ccc(CC[NH3+])cc2)no1 ZINC000049344111 521521019 /nfs/dbraw/zinc/52/10/19/521521019.db2.gz JNIHSXVNJYKFBY-UHFFFAOYSA-N 1 0 261.325 2.102 10 0 CEAERO CCN1C(=O)C[C@@H]([NH2+][C@@H](C)c2ccc(Cl)cc2)C1=O ZINC000049525456 521522422 /nfs/dbraw/zinc/52/24/22/521522422.db2.gz LDPITODWAAJHDC-JOYOIKCWSA-N 1 0 280.755 2.138 10 0 CEAERO CCOc1ncccc1NC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000052881893 521624982 /nfs/dbraw/zinc/62/49/82/521624982.db2.gz LXLXVAZZDKIJOW-MRXNPFEDSA-N 1 0 285.347 2.293 10 0 CEAERO CCCn1c(S[C@@H](c2ccc(C)o2)[C@H](C)[NH3+])n[nH]c1=O ZINC000061594895 521634622 /nfs/dbraw/zinc/63/46/22/521634622.db2.gz GTAXAAOVFSMNQI-GXSJLCMTSA-N 1 0 296.396 2.063 10 0 CEAERO CCCn1cccc1C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000070195887 521658541 /nfs/dbraw/zinc/65/85/41/521658541.db2.gz LBKZAPRGEGAOTL-CQSZACIVSA-N 1 0 283.375 2.428 10 0 CEAERO CCCn1ccnc1-c1cc(OC)c(OC)cc1C[NH3+] ZINC000069496117 521661794 /nfs/dbraw/zinc/66/17/94/521661794.db2.gz BIZVQYMYSKEZPB-UHFFFAOYSA-N 1 0 275.352 2.436 10 0 CEAERO CCCn1ccnc1[C@H]([NH3+])Cc1csc(C)n1 ZINC000069498582 521663441 /nfs/dbraw/zinc/66/34/41/521663441.db2.gz WCOXNAPUPMEHCD-LLVKDONJSA-N 1 0 250.371 2.301 10 0 CEAERO CCCN(Cc1ccc[nH+]c1NN)CC(F)(F)F ZINC000052718979 521690706 /nfs/dbraw/zinc/69/07/06/521690706.db2.gz VTUBXOCMHCSAFE-UHFFFAOYSA-N 1 0 262.279 2.142 10 0 CEAERO CCCN1C(=O)C[C@H]([NH2+][C@H]2CCCC[C@@H]2CC)C1=O ZINC000049118450 521700368 /nfs/dbraw/zinc/70/03/68/521700368.db2.gz WDLUHGNYAPYJGY-AVGNSLFASA-N 1 0 266.385 2.082 10 0 CEAERO CCNC(=O)[C@@H](C)Oc1cc(F)ccc1[C@H](C)[NH2+]C ZINC000062746500 521743914 /nfs/dbraw/zinc/74/39/14/521743914.db2.gz LNDARSYSDOQGKP-VHSXEESVSA-N 1 0 268.332 2.010 10 0 CEAERO COCC[C@@H]([NH3+])Cc1cc(F)ccc1Br ZINC000053832779 521832344 /nfs/dbraw/zinc/83/23/44/521832344.db2.gz ZIPJAULAIMXBIP-SNVBAGLBSA-N 1 0 276.149 2.495 10 0 CEAERO COc1c(C)ccc(NC(=O)[C@@H](C)C2C[NH2+]C2)c1C ZINC000163918776 521802341 /nfs/dbraw/zinc/80/23/41/521802341.db2.gz HBGOEXAYAXRDMW-JTQLQIEISA-N 1 0 262.353 2.106 10 0 CEAERO COCC[C@@H]([NH3+])C(=O)Nc1c2ncsc2ccc1Cl ZINC000052791890 521824872 /nfs/dbraw/zinc/82/48/72/521824872.db2.gz SYCSSTOSHVIYPA-MRVPVSSYSA-N 1 0 299.783 2.252 10 0 CEAERO COCC[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc(CC(C)C)cc1 ZINC000052792003 521824994 /nfs/dbraw/zinc/82/49/94/521824994.db2.gz HRIAFONVFXNPLV-CZUORRHYSA-N 1 0 292.423 2.426 10 0 CEAERO COCC[C@@H]([NH3+])CN(Cc1ccccc1)C(C)C ZINC000052810542 521831881 /nfs/dbraw/zinc/83/18/81/521831881.db2.gz YIRYAOJRYHUULH-OAHLLOKOSA-N 1 0 250.386 2.261 10 0 CEAERO COCC[C@@H]([NH3+])c1nc(-c2ccc(OC)cc2)c[nH]1 ZINC000052811280 521834940 /nfs/dbraw/zinc/83/49/40/521834940.db2.gz VMKFEGMGESWRFP-GFCCVEGCSA-N 1 0 261.325 2.122 10 0 CEAERO CC[C@H](C)[C@@H]1C[NH2+][C@H](C(C)C)CN1Cc1cnn(C)c1 ZINC000068703220 521895428 /nfs/dbraw/zinc/89/54/28/521895428.db2.gz FGTPLWUVUJSYCV-BPUTZDHNSA-N 1 0 278.444 2.265 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000061316844 521932360 /nfs/dbraw/zinc/93/23/60/521932360.db2.gz KHFDSGPHUDMDAN-UHFFFAOYSA-N 1 0 299.212 2.406 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N(CC(F)(F)F)[C@@H](C)C1CC1 ZINC000061317091 521933809 /nfs/dbraw/zinc/93/38/09/521933809.db2.gz NEABWNYLWQBWSJ-QMMMGPOBSA-N 1 0 266.307 2.174 10 0 CEAERO C[NH2+]CC1(CN(C)c2ccccc2OC)CCOCC1 ZINC000052182924 521970523 /nfs/dbraw/zinc/97/05/23/521970523.db2.gz LZXRLCBYYRDRMX-UHFFFAOYSA-N 1 0 278.396 2.148 10 0 CEAERO CC[C@@H](C)C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000050427027 521987924 /nfs/dbraw/zinc/98/79/24/521987924.db2.gz WKMWABPDQPACFY-TZMCWYRMSA-N 1 0 268.401 2.046 10 0 CEAERO COCC[C@](C)([NH3+])c1ccc2c(c1)OCCCO2 ZINC000055198466 521996512 /nfs/dbraw/zinc/99/65/12/521996512.db2.gz SLFYIGZHUBUPSV-AWEZNQCLSA-N 1 0 251.326 2.058 10 0 CEAERO C[NH2+]CCN(C)C(=O)c1cc(Cl)cn1C(C)C ZINC000070303729 522005642 /nfs/dbraw/zinc/00/56/42/522005642.db2.gz FTDAKGDNPBVYSO-UHFFFAOYSA-N 1 0 257.765 2.014 10 0 CEAERO C[NH2+]CCc1nnc(COc2cccc(Cl)c2)o1 ZINC000051018877 522022291 /nfs/dbraw/zinc/02/22/91/522022291.db2.gz NVAXUHWZUNYDQI-UHFFFAOYSA-N 1 0 267.716 2.064 10 0 CEAERO C[NH2+]CCc1noc(Cc2c(F)cccc2Cl)n1 ZINC000051850880 522023282 /nfs/dbraw/zinc/02/32/82/522023282.db2.gz JBJKLWKTARIDKF-UHFFFAOYSA-N 1 0 269.707 2.215 10 0 CEAERO C[NH2+]CCc1nnc(Cc2cccc(Br)c2)o1 ZINC000050619635 522023659 /nfs/dbraw/zinc/02/36/59/522023659.db2.gz MWLQPXMBPFEDFA-UHFFFAOYSA-N 1 0 296.168 2.185 10 0 CEAERO COCCc1nc(C)c(C[NH2+]C(C)(C)C)c(C)n1 ZINC000054854482 522031917 /nfs/dbraw/zinc/03/19/17/522031917.db2.gz PZENYJQUQUPSSU-UHFFFAOYSA-N 1 0 251.374 2.170 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1c1ncccc1Br ZINC000053706850 522081296 /nfs/dbraw/zinc/08/12/96/522081296.db2.gz VJDQIKIDIUDUCY-SNVBAGLBSA-N 1 0 284.201 2.422 10 0 CEAERO CC[C@@H](C)N(CCOC)C(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000061612982 522088470 /nfs/dbraw/zinc/08/84/70/522088470.db2.gz AXJUSWXEBPOZEL-HIFRSBDPSA-N 1 0 278.396 2.002 10 0 CEAERO CC[C@@H](C)N(CCOC)C(=O)C1CCC(C[NH3+])CC1 ZINC000055162971 522088697 /nfs/dbraw/zinc/08/86/97/522088697.db2.gz UMFQWAGFFMDSTF-IYXRBSQSSA-N 1 0 270.417 2.025 10 0 CEAERO C[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000053010073 522092891 /nfs/dbraw/zinc/09/28/91/522092891.db2.gz HOWLLHHFWRHVDB-SNVBAGLBSA-N 1 0 269.186 2.495 10 0 CEAERO C[NH2+]C[C@H]1C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000054588693 522098439 /nfs/dbraw/zinc/09/84/39/522098439.db2.gz NHUKAAIFABLYIS-GHMZBOCLSA-N 1 0 251.326 2.035 10 0 CEAERO CC[C@@H](C)N1C(=O)C[C@@H]([NH2+]C2CCC(CC)CC2)C1=O ZINC000049118576 522106720 /nfs/dbraw/zinc/10/67/20/522106720.db2.gz XFIPBEVIXNROAZ-BLYZHGLHSA-N 1 0 280.412 2.471 10 0 CEAERO C[NH2+]Cc1cc(COc2ccc3c(c2)CCC3)on1 ZINC000052693384 522112439 /nfs/dbraw/zinc/11/24/39/522112439.db2.gz CNCDCEDEPSXUJF-UHFFFAOYSA-N 1 0 258.321 2.462 10 0 CEAERO C[NH2+]Cc1cc2ccccc2c(N2CCO[C@@H](C)C2)n1 ZINC000051400155 522114756 /nfs/dbraw/zinc/11/47/56/522114756.db2.gz GJISBAUIBXKCFU-LBPRGKRZSA-N 1 0 271.364 2.179 10 0 CEAERO CC[C@H](CC[NH3+])NC(=O)[C@@H]1CCCc2ccccc21 ZINC000054668395 522127578 /nfs/dbraw/zinc/12/75/78/522127578.db2.gz FOUVXUUIMLNONJ-UKRRQHHQSA-N 1 0 260.381 2.350 10 0 CEAERO C[NH2+]Cc1cccc(OCCN(C)CC(F)(F)F)c1 ZINC000052483308 522132749 /nfs/dbraw/zinc/13/27/49/522132749.db2.gz MKRBUPSZNYRPOE-UHFFFAOYSA-N 1 0 276.302 2.279 10 0 CEAERO C[NH2+]Cc1ccnc(N(CCOC)[C@H](C)C2CC2)c1 ZINC000051491638 522139350 /nfs/dbraw/zinc/13/93/50/522139350.db2.gz HYEHFIJYYXTMLU-GFCCVEGCSA-N 1 0 263.385 2.052 10 0 CEAERO C[NH2+]Cc1sc(N(CCOC)CC(C)C)nc1C ZINC000054998854 522167679 /nfs/dbraw/zinc/16/76/79/522167679.db2.gz SXSUYUZASSSTMM-UHFFFAOYSA-N 1 0 271.430 2.280 10 0 CEAERO Cc1cccc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1O ZINC000155443313 534618359 /nfs/dbraw/zinc/61/83/59/534618359.db2.gz QZOSPKCAEAEDDW-GXTWGEPZSA-N 1 0 276.380 2.159 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(Cc2cn3ccccc3n2)CC[NH2+]1 ZINC000068694492 522332031 /nfs/dbraw/zinc/33/20/31/522332031.db2.gz DMMGKEKVDRFZGY-HIFRSBDPSA-N 1 0 272.396 2.154 10 0 CEAERO CC[C@H]([NH3+])[C@@](O)(c1ccc(F)c(F)c1)C(F)(F)F ZINC000062784729 522341323 /nfs/dbraw/zinc/34/13/23/522341323.db2.gz PTHOBYHQIACRIP-UWVGGRQHSA-N 1 0 269.213 2.452 10 0 CEAERO CN(C)c1nccc(N(CCC[NH3+])c2ccc(F)cc2)n1 ZINC000068689993 522360862 /nfs/dbraw/zinc/36/08/62/522360862.db2.gz NGTKACSITZLVBG-UHFFFAOYSA-N 1 0 289.358 2.169 10 0 CEAERO C[NH2+][C@@H](Cc1ccc(OC)c(OC)c1)C1CCOCC1 ZINC000061672883 522360747 /nfs/dbraw/zinc/36/07/47/522360747.db2.gz NPLZGUHRSZPPRV-AWEZNQCLSA-N 1 0 279.380 2.261 10 0 CEAERO C[NH2+][C@@H](Cn1ccc(=O)cc1)c1cc(C)ccc1OC ZINC000061627805 522365732 /nfs/dbraw/zinc/36/57/32/522365732.db2.gz WJCVTQGIAPVGSY-HNNXBMFYSA-N 1 0 272.348 2.126 10 0 CEAERO C[NH2+][C@@H]1CCC2(C[C@H]1Oc1cccc(F)c1F)OCCO2 ZINC000062613575 522378367 /nfs/dbraw/zinc/37/83/67/522378367.db2.gz PUXIKSQVPZXCMQ-DGCLKSJQSA-N 1 0 299.317 2.227 10 0 CEAERO C[NH2+][C@@H]1CCc2c1cccc2OC[C@H](O)C(F)(F)F ZINC000068878051 522397361 /nfs/dbraw/zinc/39/73/61/522397361.db2.gz DQUYVXMQSIQBDZ-PWSUYJOCSA-N 1 0 275.270 2.195 10 0 CEAERO C[NH2+][C@@H]1COc2cc(OCc3ccccn3)ccc21 ZINC000062804489 522401070 /nfs/dbraw/zinc/40/10/70/522401070.db2.gz YFMCDYIJWLVEIR-CQSZACIVSA-N 1 0 256.305 2.314 10 0 CEAERO 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CAPYBWOINRWUMV-KCJUWKMLSA-N 1 0 263.259 2.269 10 0 CEAERO C[NH2+][C@H](C)c1cccc(NC(=O)N2CCCOCC2)c1 ZINC000061938742 522451689 /nfs/dbraw/zinc/45/16/89/522451689.db2.gz HEOUEGVQLZMMRU-GFCCVEGCSA-N 1 0 277.368 2.221 10 0 CEAERO C[NH2+][C@H](c1ccc(OC)c(OC)c1OC)[C@@H]1CCCOC1 ZINC000062234163 522480769 /nfs/dbraw/zinc/48/07/69/522480769.db2.gz FOAHGDPPQUKCHU-RISCZKNCSA-N 1 0 295.379 2.400 10 0 CEAERO C[NH2+][C@H](c1cncnc1)c1cc(Cl)c(OC)c(OC)c1 ZINC000052887273 522484570 /nfs/dbraw/zinc/48/45/70/522484570.db2.gz MTKNJDHGVPITIE-ZDUSSCGKSA-N 1 0 293.754 2.456 10 0 CEAERO C[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1n1nc(C)nc1C ZINC000054556040 522505061 /nfs/dbraw/zinc/50/50/61/522505061.db2.gz URGPHRXSCLQGCD-IHRRRGAJSA-N 1 0 250.390 2.480 10 0 CEAERO C[NH2+][C@H]1COc2cc(OCCOCC(F)(F)F)ccc21 ZINC000062804084 522507751 /nfs/dbraw/zinc/50/77/51/522507751.db2.gz AIPRFQHNKNNWBF-NSHDSACASA-N 1 0 291.269 2.297 10 0 CEAERO C[NH2+][C@H]1COc2cc(OC[C@H]3CCCCO3)ccc21 ZINC000062804016 522508241 /nfs/dbraw/zinc/50/82/41/522508241.db2.gz QMVWFRGKMAIGNX-OCCSQVGLSA-N 1 0 263.337 2.287 10 0 CEAERO CC[C@H](NC(=O)[C@H]1CCCC[NH2+]1)c1cccs1 ZINC000049532089 522511546 /nfs/dbraw/zinc/51/15/46/522511546.db2.gz KOCSXBYOYPBAIN-WDEREUQCSA-N 1 0 252.383 2.458 10 0 CEAERO CNc1ccc(C[N@H+](CCOC)CC(C)C)cn1 ZINC000050815107 522606202 /nfs/dbraw/zinc/60/62/02/522606202.db2.gz BSSVOPKHOLAZMY-UHFFFAOYSA-N 1 0 251.374 2.228 10 0 CEAERO COc1cc(F)ccc1NC(=O)[C@H]([NH3+])CC(C)C ZINC000049569941 522610902 /nfs/dbraw/zinc/61/09/02/522610902.db2.gz JZAWEPXDJZPDMZ-SNVBAGLBSA-N 1 0 254.305 2.146 10 0 CEAERO COc1cc(F)ccc1N[C@@H]1C[NH+]2CCC1CC2 ZINC000049564012 522616981 /nfs/dbraw/zinc/61/69/81/522616981.db2.gz MWDPGYHWOIKFDZ-CYBMUJFWSA-N 1 0 250.317 2.340 10 0 CEAERO CC[C@@H]([NH3+])Cc1cnn(CCCOCC(F)(F)F)c1 ZINC000054741658 522644592 /nfs/dbraw/zinc/64/45/92/522644592.db2.gz LICCWNMJHZGGQL-LLVKDONJSA-N 1 0 279.306 2.132 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccccc1OCc1ncccn1 ZINC000054461762 522644816 /nfs/dbraw/zinc/64/48/16/522644816.db2.gz MTPFHARYEXCQNB-CYBMUJFWSA-N 1 0 257.337 2.335 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C1CC1)c1ccco1 ZINC000061594625 522648250 /nfs/dbraw/zinc/64/82/50/522648250.db2.gz XUMWBLONHQRBSY-MWLCHTKSSA-N 1 0 294.380 2.070 10 0 CEAERO COC1CCN(c2nc(C)c([C@H](C)[NH3+])s2)CC1 ZINC000054895412 522709581 /nfs/dbraw/zinc/70/95/81/522709581.db2.gz OBLSNSDBILNMGJ-QMMMGPOBSA-N 1 0 255.387 2.086 10 0 CEAERO COC1CCN(c2c(C[NH2+]C(C)(C)C)c(C)nn2C)CC1 ZINC000062735580 522710543 /nfs/dbraw/zinc/71/05/43/522710543.db2.gz QFMSDIUISBOSFC-UHFFFAOYSA-N 1 0 294.443 2.232 10 0 CEAERO CC[C@H]([NH2+][C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000052336370 522760394 /nfs/dbraw/zinc/76/03/94/522760394.db2.gz DHYUTBNQFCCBBG-STQMWFEESA-N 1 0 259.415 2.122 10 0 CEAERO COc1cc(OC)c(OC)cc1C[NH2+][C@H]1C[C@@H]1C ZINC000052269560 522827139 /nfs/dbraw/zinc/82/71/39/522827139.db2.gz UUUOACBRDQFQSP-ONGXEEELSA-N 1 0 251.326 2.210 10 0 CEAERO CC[C@@H]([NH2+]C[C@H](O)c1ccc2c(c1)OCO2)C(C)C ZINC000049130186 522862937 /nfs/dbraw/zinc/86/29/37/522862937.db2.gz UNJZDHQCICCDJE-OLZOCXBDSA-N 1 0 265.353 2.473 10 0 CEAERO COc1cc(OC)cc([C@@H](O)C[NH2+]C(C)(C)C)c1 ZINC000055029720 522876962 /nfs/dbraw/zinc/87/69/62/522876962.db2.gz DGBRGAFKFCFHOU-ZDUSSCGKSA-N 1 0 253.342 2.125 10 0 CEAERO COC[C@](C)(C[NH3+])N1CCc2sccc2[C@@H]1C ZINC000053198579 522881915 /nfs/dbraw/zinc/88/19/15/522881915.db2.gz CXJPBJFXQGTWQB-GWCFXTLKSA-N 1 0 254.399 2.031 10 0 CEAERO CC[C@H](Oc1ccccc1C[NH2+]C(C)(C)C)C(N)=O ZINC000062729323 522895426 /nfs/dbraw/zinc/89/54/26/522895426.db2.gz YXEFZXNCIKMGCD-LBPRGKRZSA-N 1 0 264.369 2.217 10 0 CEAERO CC[C@@H]([NH2+][C@@H](C)C(=O)N1CCOCC1)c1cccs1 ZINC000049530654 522906615 /nfs/dbraw/zinc/90/66/15/522906615.db2.gz GMAPFUYKQFIUHK-NWDGAFQWSA-N 1 0 282.409 2.036 10 0 CEAERO C[N@H+](CC[C@H]([NH2+]C1CC1)C(=O)[O-])C1CCCCCC1 ZINC000062451280 522932689 /nfs/dbraw/zinc/93/26/89/522932689.db2.gz KAIOTIVPZVFYRA-AWEZNQCLSA-N 1 0 268.401 2.236 10 0 CEAERO COCC1CC[NH+](C[C@](C)(O)c2ccccc2)CC1 ZINC000070081592 522935170 /nfs/dbraw/zinc/93/51/70/522935170.db2.gz QREFZJXVPWIRMI-INIZCTEOSA-N 1 0 263.381 2.253 10 0 CEAERO CC[C@@H](Oc1c(Cl)cc(Cl)cc1CC[NH3+])C(N)=O ZINC000061678310 523035757 /nfs/dbraw/zinc/03/57/57/523035757.db2.gz CJXQMEYKYBCHEB-SNVBAGLBSA-N 1 0 291.178 2.137 10 0 CEAERO COCc1cccc(CNC(=O)CC[C@@H]2CCCC[NH2+]2)c1 ZINC000050948180 523042562 /nfs/dbraw/zinc/04/25/62/523042562.db2.gz PKTRWOZAXUKOLH-INIZCTEOSA-N 1 0 290.407 2.372 10 0 CEAERO CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1C[NH3+] ZINC000049120934 523045933 /nfs/dbraw/zinc/04/59/33/523045933.db2.gz VGETWBHGNVPSIQ-JSGCOSHPSA-N 1 0 296.436 2.392 10 0 CEAERO COCc1cccc(NC(=O)[C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000049511975 523072695 /nfs/dbraw/zinc/07/26/95/523072695.db2.gz PXYLJNVIDIJMEU-AAEUAGOBSA-N 1 0 262.353 2.160 10 0 CEAERO COCc1cccc(OCCCC[C@@](C)([NH3+])C(=O)OC)c1 ZINC000069508459 523082954 /nfs/dbraw/zinc/08/29/54/523082954.db2.gz DVMIAENMZFZORJ-MRXNPFEDSA-N 1 0 295.379 2.273 10 0 CEAERO COCc1ccccc1NC(=O)[C@H]1CC[C@H](C)[NH2+]C1 ZINC000049512001 523120721 /nfs/dbraw/zinc/12/07/21/523120721.db2.gz AGGYULWMLUOUCM-RYUDHWBXSA-N 1 0 262.353 2.160 10 0 CEAERO COC(=O)COc1cc(C[NH2+]C(C)(C)C)ccc1OC ZINC000062732469 523218500 /nfs/dbraw/zinc/21/85/00/523218500.db2.gz KFLJAJJNOMMGKK-UHFFFAOYSA-N 1 0 281.352 2.135 10 0 CEAERO COCCC[N@H+](C)C[C@H](O)c1ccc(C)cc1C ZINC000062034411 523229466 /nfs/dbraw/zinc/22/94/66/523229466.db2.gz CBAMEGREWIQRJJ-HNNXBMFYSA-N 1 0 251.370 2.305 10 0 CEAERO COc1ccc(-c2ncc(C[C@@H](C)[NH3+])cn2)cc1OC ZINC000054857891 523235979 /nfs/dbraw/zinc/23/59/79/523235979.db2.gz VJVMDFPQVNGLQX-SNVBAGLBSA-N 1 0 273.336 2.051 10 0 CEAERO CCn1c(S[C@@H](C[NH3+])c2ccc(Cl)cc2)n[nH]c1=O ZINC000061594278 523242953 /nfs/dbraw/zinc/24/29/53/523242953.db2.gz UCYQHKSJWLRLSL-JTQLQIEISA-N 1 0 298.799 2.037 10 0 CEAERO CCn1c(S[C@@H](c2cccc(C)c2)[C@H](C)[NH3+])n[nH]c1=O ZINC000061594234 523244556 /nfs/dbraw/zinc/24/45/56/523244556.db2.gz APPUSFAOCABXJP-CMPLNLGQSA-N 1 0 292.408 2.080 10 0 CEAERO COCCC[N@H+](CCOC)[C@@]1(CN)C[C@@H](C)CC[C@@H]1C ZINC000068628387 523257853 /nfs/dbraw/zinc/25/78/53/523257853.db2.gz OFTQPCVKVIMYSR-HRCADAONSA-N 1 0 286.460 2.125 10 0 CEAERO CC[C@H]1CO[C@H](C)CN1Cc1cc(C[NH3+])oc1C ZINC000052571056 523350371 /nfs/dbraw/zinc/35/03/71/523350371.db2.gz RLTUJPFTXNLYBK-MFKMUULPSA-N 1 0 252.358 2.046 10 0 CEAERO COc1ccc(-n2nnnc2C[NH2+]C(C)(C)C)cc1Cl ZINC000054744793 523354926 /nfs/dbraw/zinc/35/49/26/523354926.db2.gz RZBCTWDSOHAGNP-UHFFFAOYSA-N 1 0 295.774 2.212 10 0 CEAERO COCCC[NH2+]C[C@@H](C)Oc1cccc(F)c1F ZINC000062654959 523373317 /nfs/dbraw/zinc/37/33/17/523373317.db2.gz FRUSYDGVQFCYDB-SNVBAGLBSA-N 1 0 259.296 2.358 10 0 CEAERO CCn1cc(C[C@@](C)(CC)C[NH2+]CCOC)cn1 ZINC000054661976 523395697 /nfs/dbraw/zinc/39/56/97/523395697.db2.gz LPTGLIHAKPCQMC-CQSZACIVSA-N 1 0 253.390 2.098 10 0 CEAERO CCn1cc([C@H]([NH3+])c2nccc3ccccc32)cn1 ZINC000069313902 523479716 /nfs/dbraw/zinc/47/97/16/523479716.db2.gz PJXVDBBFYKWMCU-AWEZNQCLSA-N 1 0 252.321 2.499 10 0 CEAERO CCn1cc([C@H](Cc2csc(C)n2)[NH2+]C)cn1 ZINC000055295098 523480663 /nfs/dbraw/zinc/48/06/63/523480663.db2.gz CBPFEYINTCFNCH-LBPRGKRZSA-N 1 0 250.371 2.171 10 0 CEAERO CC[C@]1(C(=O)Nc2ccc(F)cc2OC)CC[NH2+]C1 ZINC000062901867 523543693 /nfs/dbraw/zinc/54/36/93/523543693.db2.gz DGZBLNDWUPIFRO-AWEZNQCLSA-N 1 0 266.316 2.163 10 0 CEAERO COCC[N@H+](C)CCN[C@@H](C)c1c(F)cccc1F ZINC000061375076 523607653 /nfs/dbraw/zinc/60/76/53/523607653.db2.gz WKSABRLSFCGMPJ-NSHDSACASA-N 1 0 272.339 2.194 10 0 CEAERO CN(c1cc(C(N)=[NH2+])c2ccccc2n1)C1CCOCC1 ZINC000068797776 523631811 /nfs/dbraw/zinc/63/18/11/523631811.db2.gz GAYNDLMJJQXIDT-UHFFFAOYSA-N 1 0 284.363 2.134 10 0 CEAERO COCCN(C)c1nc(C)c(C[NH2+]CC(C)C)s1 ZINC000055001750 523637198 /nfs/dbraw/zinc/63/71/98/523637198.db2.gz JXZRZCNCDRINOQ-UHFFFAOYSA-N 1 0 271.430 2.280 10 0 CEAERO CN1C(=O)CCC[C@H]([NH3+])[C@@H]1c1ccccc1Cl ZINC000070292156 523682151 /nfs/dbraw/zinc/68/21/51/523682151.db2.gz KITJYRCANFOHHP-AAEUAGOBSA-N 1 0 252.745 2.351 10 0 CEAERO COCCN(CCC[NH+](C)C)C(=O)c1cc(C)ccc1F ZINC000053008881 523693132 /nfs/dbraw/zinc/69/31/32/523693132.db2.gz AJGBQTRVKLJWES-UHFFFAOYSA-N 1 0 296.386 2.174 10 0 CEAERO COc1ccc(C(=O)N[C@@H](C)[C@H]2CCCC[NH2+]2)cc1F ZINC000061668773 523722673 /nfs/dbraw/zinc/72/26/73/523722673.db2.gz DCVUEBZPHZBPOE-GXFFZTMASA-N 1 0 280.343 2.095 10 0 CEAERO COc1ccc(C)cc1C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000052943450 523800941 /nfs/dbraw/zinc/80/09/41/523800941.db2.gz LKKTUVRFSCZYLL-ZDUSSCGKSA-N 1 0 276.380 2.123 10 0 CEAERO COc1ccc(C)cc1C(=O)NC[C@H]1CCC[C@H](C)[NH2+]1 ZINC000052943455 523802507 /nfs/dbraw/zinc/80/25/07/523802507.db2.gz WCYVIKOHFPYBET-QWHCGFSZSA-N 1 0 276.380 2.264 10 0 CEAERO COC(=O)[C@@](C)(N)C[C@H](C)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000068632783 523819149 /nfs/dbraw/zinc/81/91/49/523819149.db2.gz PGMJJVDKBOUCJK-BJJXKVORSA-N 1 0 282.428 2.310 10 0 CEAERO CO[C@H](C(=O)Nc1cccc(C[NH3+])c1)c1ccccc1 ZINC000050436850 523835150 /nfs/dbraw/zinc/83/51/50/523835150.db2.gz 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/nfs/dbraw/zinc/94/59/66/523945966.db2.gz YLXFGBKMKNRRAX-ZDUSSCGKSA-N 1 0 296.459 2.335 10 0 CEAERO COCC[NH2+]Cc1cc(C)c(OCCOC)c(C)c1 ZINC000062728627 523948864 /nfs/dbraw/zinc/94/88/64/523948864.db2.gz ZSMQXGJWCJPEMF-UHFFFAOYSA-N 1 0 267.369 2.065 10 0 CEAERO COCC[NH2+]Cc1cc(F)ccc1N(C)[C@@H](C)COC ZINC000062737321 523949694 /nfs/dbraw/zinc/94/96/94/523949694.db2.gz CUPHUSFLMVUDQQ-LBPRGKRZSA-N 1 0 284.375 2.033 10 0 CEAERO CC[C@H](C)[NH+]1CCN(Cc2nc3cc(N)ccc3[nH]2)CC1 ZINC000055063493 523956242 /nfs/dbraw/zinc/95/62/42/523956242.db2.gz IBWVWKRPCQFTEW-LBPRGKRZSA-N 1 0 287.411 2.061 10 0 CEAERO COCC[NH2+]Cc1cnc(N2Cc3ccccc3C2)s1 ZINC000054905513 523956509 /nfs/dbraw/zinc/95/65/09/523956509.db2.gz VLFVLRKNKOGHFQ-UHFFFAOYSA-N 1 0 289.404 2.399 10 0 CEAERO COCC[NH2+][C@](C)(CO)c1cccc2ccccc21 ZINC000053292559 523962054 /nfs/dbraw/zinc/96/20/54/523962054.db2.gz ZOBSXSSFBOYCSP-MRXNPFEDSA-N 1 0 259.349 2.283 10 0 CEAERO COC(=O)[C@](C)(C[C@H](C)[N@H+]1C[C@H](C)C[C@H](C)C1)NC1CC1 ZINC000068618121 524001050 /nfs/dbraw/zinc/00/10/50/524001050.db2.gz FLWAZDOZAXDQPW-LOUJCGABSA-N 1 0 296.455 2.427 10 0 CEAERO COC(=O)[C@](C)([NH3+])CCCSc1nc2ccccc2[nH]1 ZINC000045559206 524001448 /nfs/dbraw/zinc/00/14/48/524001448.db2.gz HFFDXFRLSWCGJQ-CQSZACIVSA-N 1 0 293.392 2.326 10 0 CEAERO CC[C@H](C)[NH2+][C@H](C(N)=O)c1cc(F)c(F)c(F)c1 ZINC000062712721 524005456 /nfs/dbraw/zinc/00/54/56/524005456.db2.gz PYWUULRUNZKZDK-KGFZYKRKSA-N 1 0 260.259 2.018 10 0 CEAERO COc1ccc(CN2CC[NH2+][C@](C)(C3CC3)C2)cc1 ZINC000068694147 524034573 /nfs/dbraw/zinc/03/45/73/524034573.db2.gz NSCDXPUGCBJPCX-INIZCTEOSA-N 1 0 260.381 2.269 10 0 CEAERO C[NH+](C)CCCNc1ccc(C(N)=S)cc1Cl ZINC000062795167 524057362 /nfs/dbraw/zinc/05/73/62/524057362.db2.gz VQVFIDKWCQTYDE-UHFFFAOYSA-N 1 0 271.817 2.338 10 0 CEAERO CCc1cccc(C)c1-n1nnnc1C[NH2+]CC(C)C ZINC000054744239 524062091 /nfs/dbraw/zinc/06/20/91/524062091.db2.gz GABXVYVGXHRAPA-UHFFFAOYSA-N 1 0 273.384 2.279 10 0 CEAERO C[C@@H](C(=O)N(Cc1ccc(F)cc1F)C1CC1)C1C[NH2+]C1 ZINC000164203165 524090743 /nfs/dbraw/zinc/09/07/43/524090743.db2.gz OKPPLPSKYRHKRS-SNVBAGLBSA-N 1 0 294.345 2.311 10 0 CEAERO C[C@H]1CCC[C@@H](C[NH3+])N1Cc1nc(-c2cccs2)no1 ZINC000070155627 524133670 /nfs/dbraw/zinc/13/36/70/524133670.db2.gz PMKABNPGZJQLMX-QWRGUYRKSA-N 1 0 292.408 2.500 10 0 CEAERO C[C@@H]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055089622 524156493 /nfs/dbraw/zinc/15/64/93/524156493.db2.gz HMDJRBJJUMYFHO-RQJABVFESA-N 1 0 252.402 2.446 10 0 CEAERO C[C@@H]1CCCC[C@H]1[NH2+]CCN(C)C[C@@H]1CCCO1 ZINC000053431045 524173182 /nfs/dbraw/zinc/17/31/82/524173182.db2.gz GEYXNTFHYGYYRF-QLFBSQMISA-N 1 0 254.418 2.266 10 0 CEAERO COc1ccc(Cl)c(NC(=O)c2cc[nH+]c(NN)c2)c1 ZINC000051094546 524184742 /nfs/dbraw/zinc/18/47/42/524184742.db2.gz REVMYWJIBYRMFI-UHFFFAOYSA-N 1 0 292.726 2.282 10 0 CEAERO Cc1cc(C)c(C(=O)N2CC[C@H](C)[C@@H]([NH3+])C2)c(C)c1 ZINC000070145789 524226814 /nfs/dbraw/zinc/22/68/14/524226814.db2.gz CKQVXZHKRLLGEF-FZMZJTMJSA-N 1 0 260.381 2.421 10 0 CEAERO Cc1cc(C)c(C(N)=S)c(N[C@@H](C)C[NH+]2CCCC2)n1 ZINC000049186055 524246947 /nfs/dbraw/zinc/24/69/47/524246947.db2.gz FNVCCHJJCFBCIG-LBPRGKRZSA-N 1 0 292.452 2.229 10 0 CEAERO C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CCC[C@@H]1CCCO ZINC000052762987 524276480 /nfs/dbraw/zinc/27/64/80/524276480.db2.gz YIAGLOWXYDZDEW-DZGCQCFKSA-N 1 0 276.380 2.251 10 0 CEAERO C[C@@H]1CCC[C@@H](CNC(=O)c2ccc3c(c2)CCC3)[NH2+]1 ZINC000051573366 524293575 /nfs/dbraw/zinc/29/35/75/524293575.db2.gz XFSVSWWCFQLKAR-WBMJQRKESA-N 1 0 272.392 2.436 10 0 CEAERO Cc1ccc(CCC(=O)N2[C@H]3C[NH2+]C[C@H]3C[C@@H]2C)cc1 ZINC000052946097 524294160 /nfs/dbraw/zinc/29/41/60/524294160.db2.gz MQKNJEMHYSHTST-IMJJTQAJSA-N 1 0 272.392 2.136 10 0 CEAERO COc1ccccc1C(=O)CN1CC[NH+](CC(C)C)CC1 ZINC000055080145 524336152 /nfs/dbraw/zinc/33/61/52/524336152.db2.gz AIVVCGSKYUKLIJ-UHFFFAOYSA-N 1 0 290.407 2.152 10 0 CEAERO Cc1cccc(C2CC([NH2+]C[C@@H]3CN(C)CCN3C)C2)c1 ZINC000068800954 524336402 /nfs/dbraw/zinc/33/64/02/524336402.db2.gz GUMZPNQNBLHQLA-DAWZGUTISA-N 1 0 287.451 2.076 10 0 CEAERO COc1ccc(N(C)C(=O)[C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000049973068 524346100 /nfs/dbraw/zinc/34/61/00/524346100.db2.gz KYOWVBGDKYITTD-NEPJUHHUSA-N 1 0 262.353 2.046 10 0 CEAERO C[C@@H]1CCC[C@H](C[NH3+])N1C(=O)Cc1noc2ccccc21 ZINC000070152270 524375561 /nfs/dbraw/zinc/37/55/61/524375561.db2.gz BAMSWNDFRYJGCF-VXGBXAGGSA-N 1 0 287.363 2.099 10 0 CEAERO C[C@@H]1CCC[C@H](C[NH3+])N1Cc1nnc(-c2ccco2)o1 ZINC000070156658 524375726 /nfs/dbraw/zinc/37/57/26/524375726.db2.gz VXHGAYQIQPDIOG-GHMZBOCLSA-N 1 0 276.340 2.031 10 0 CEAERO Cc1cccc(CN(C)Cc2ccc[nH+]c2NN)c1 ZINC000052722949 524375859 /nfs/dbraw/zinc/37/58/59/524375859.db2.gz JBFUVWYKAPEVBA-UHFFFAOYSA-N 1 0 256.353 2.308 10 0 CEAERO C[C@@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C ZINC000055123509 524391954 /nfs/dbraw/zinc/39/19/54/524391954.db2.gz NTWTZGSXWHPLJI-PEBLQZBPSA-N 1 0 252.402 2.445 10 0 CEAERO C[C@@H]1CCC[C@](C[NH3+])(N(C)CC(=O)Nc2ccccc2)C1 ZINC000050088951 524429066 /nfs/dbraw/zinc/42/90/66/524429066.db2.gz GIDCSKPWNKJCAG-PBHICJAKSA-N 1 0 289.423 2.465 10 0 CEAERO C[C@@H](CC[NH+](C)C)Nc1ccc(C(N)=S)cc1 ZINC000049560155 524478563 /nfs/dbraw/zinc/47/85/63/524478563.db2.gz JGTIGTASMVISTN-JTQLQIEISA-N 1 0 251.399 2.073 10 0 CEAERO C[C@@H]1CCN(C(=O)c2ccc3ncccc3c2)C[C@H]1[NH3+] ZINC000070146077 524489931 /nfs/dbraw/zinc/48/99/31/524489931.db2.gz ZUGKRBISRAZSQC-BXUZGUMPSA-N 1 0 269.348 2.044 10 0 CEAERO COc1ccc(NC(=O)C[NH+]2CCC(C)(C)CC2)c(N)c1 ZINC000061818189 524493224 /nfs/dbraw/zinc/49/32/24/524493224.db2.gz ADCPBZNNKPWRHO-UHFFFAOYSA-N 1 0 291.395 2.338 10 0 CEAERO COc1ccc(NC(=O)C[NH2+]C[C@@H](C)CSC)cc1 ZINC000069447974 524498313 /nfs/dbraw/zinc/49/83/13/524498313.db2.gz HYVKWAQYDOFJPB-LLVKDONJSA-N 1 0 282.409 2.222 10 0 CEAERO COc1ccc(NC(=O)COCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000051862058 524501435 /nfs/dbraw/zinc/50/14/35/524501435.db2.gz IKQLOXJNJVVEKB-ZDUSSCGKSA-N 1 0 292.379 2.183 10 0 CEAERO COc1ccccc1Cn1nc(C)c(C[C@@H](C)[NH3+])c1C ZINC000054741141 524521640 /nfs/dbraw/zinc/52/16/40/524521640.db2.gz OKQHONQPZURHDI-LLVKDONJSA-N 1 0 273.380 2.447 10 0 CEAERO Cc1cccc(N(CCC[NH3+])C(=O)C2CCOCC2)c1 ZINC000061670857 524525471 /nfs/dbraw/zinc/52/54/71/524525471.db2.gz ZJXIFJBLTIFJIK-UHFFFAOYSA-N 1 0 276.380 2.103 10 0 CEAERO COc1ccc(NC(=O)[C@@H](C[NH3+])c2ccccc2)cc1O ZINC000061611785 524589275 /nfs/dbraw/zinc/58/92/75/524589275.db2.gz JUDBFKDQGVSVGT-ZDUSSCGKSA-N 1 0 286.331 2.082 10 0 CEAERO COc1ccc(NC(=O)[C@H]2CCC[C@H](C)[NH2+]2)cc1C ZINC000049532365 524615838 /nfs/dbraw/zinc/61/58/38/524615838.db2.gz RUSFGFORVYECAM-WCQYABFASA-N 1 0 262.353 2.473 10 0 CEAERO Cc1ccc(F)cc1C(=O)NC[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000062665133 524845145 /nfs/dbraw/zinc/84/51/45/524845145.db2.gz SBMIFIMLDJUEFV-VXGBXAGGSA-N 1 0 264.344 2.252 10 0 CEAERO Cc1ccc(F)cc1C(=O)NC[C@H]1CC[C@H](C)[NH2+]C1 ZINC000062665130 524846450 /nfs/dbraw/zinc/84/64/50/524846450.db2.gz SBMIFIMLDJUEFV-RYUDHWBXSA-N 1 0 264.344 2.252 10 0 CEAERO Cc1ccc(N(C)S(=O)(=O)CC[C@H]2CCCC[NH2+]2)cc1 ZINC000050009613 524887694 /nfs/dbraw/zinc/88/76/94/524887694.db2.gz AAIFWKGCZFFCJS-CQSZACIVSA-N 1 0 296.436 2.293 10 0 CEAERO C[C@H](NC(=O)CC[C@H]1CCCC[NH2+]1)c1ccco1 ZINC000050942225 524936783 /nfs/dbraw/zinc/93/67/83/524936783.db2.gz RKGIAZUUESLNBR-NWDGAFQWSA-N 1 0 250.342 2.379 10 0 CEAERO C[C@@H]1C[N@H+](CCCOCC(F)(F)F)[C@@](C)(C2CC2)CN1 ZINC000068699456 524949242 /nfs/dbraw/zinc/94/92/42/524949242.db2.gz WRUIAKUHFZJYNC-DGCLKSJQSA-N 1 0 294.361 2.418 10 0 CEAERO COc1ccc(OC[C@@H]2CC[C@H](C[NH2+]C3CC3)O2)cc1 ZINC000052676897 524969930 /nfs/dbraw/zinc/96/99/30/524969930.db2.gz PVERCNJQRVDXHM-CVEARBPZSA-N 1 0 277.364 2.374 10 0 CEAERO C[C@@H]([NH3+])Cc1c(N2CCSC[C@@H]2C)nc2sccn12 ZINC000070222387 524998609 /nfs/dbraw/zinc/99/86/09/524998609.db2.gz YZIYGVFIYCAIQU-ZJUUUORDSA-N 1 0 296.465 2.227 10 0 CEAERO C[C@@H]([NH3+])Cc1ccnc(-c2cc(F)c(F)c(F)c2)n1 ZINC000054834110 524999357 /nfs/dbraw/zinc/99/93/57/524999357.db2.gz JKYFVCCBZFKBHT-SSDOTTSWSA-N 1 0 267.254 2.451 10 0 CEAERO Cc1cc(F)ccc1[C@@H]([NH2+]C1CCCC1)C(N)=O ZINC000050579741 525005819 /nfs/dbraw/zinc/00/58/19/525005819.db2.gz YQJXTHOYYDGYDW-CYBMUJFWSA-N 1 0 250.317 2.193 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1cnn(C)c1)n1cc(-c2ccccc2)cn1 ZINC000054960783 525006436 /nfs/dbraw/zinc/00/64/36/525006436.db2.gz JTICTLPQQPESSW-WBMJQRKESA-N 1 0 281.363 2.220 10 0 CEAERO C[C@@H]([NH3+])[C@@H]1CCCCN1c1cnc2ccccc2n1 ZINC000063196425 525008144 /nfs/dbraw/zinc/00/81/44/525008144.db2.gz GFPYNWYPGYESNG-RISCZKNCSA-N 1 0 256.353 2.336 10 0 CEAERO C[C@@H]([NH3+])[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000062784218 525015517 /nfs/dbraw/zinc/01/55/17/525015517.db2.gz YGGPJGGAUWTXNM-HZGVNTEJSA-N 1 0 253.651 2.437 10 0 CEAERO C[C@@H]([NH3+])[C@H](Oc1cc(F)cc(F)c1)c1cnn(C)c1 ZINC000054932240 525015941 /nfs/dbraw/zinc/01/59/41/525015941.db2.gz OTAYHLUADMTLRY-OQPBUACISA-N 1 0 267.279 2.166 10 0 CEAERO C[C@@H]([NH3+])[C@H](Sc1ncnc2[nH]cnc21)C(C)(C)C ZINC000051036262 525016341 /nfs/dbraw/zinc/01/63/41/525016341.db2.gz MVRJSZPPWULNLN-APPZFPTMSA-N 1 0 265.386 2.207 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1cccc(F)c1)N1CCC[C@@H]1CCCO ZINC000052757636 525016611 /nfs/dbraw/zinc/01/66/11/525016611.db2.gz AXLVMUURHFPUFY-DAXOMENPSA-N 1 0 280.387 2.451 10 0 CEAERO C[C@@H]([NH3+])[C@H]1CCCN(c2ncccc2Br)C1 ZINC000069725737 525021167 /nfs/dbraw/zinc/02/11/67/525021167.db2.gz CWPMHGHJNKANHU-ZJUUUORDSA-N 1 0 284.201 2.408 10 0 CEAERO C[C@@H]([NH3+])[C@](O)(c1ccccc1Cl)C(F)(F)F ZINC000062784756 525023585 /nfs/dbraw/zinc/02/35/85/525023585.db2.gz IUIMTKDSDKFNOE-MUWHJKNJSA-N 1 0 253.651 2.437 10 0 CEAERO C[C@@H]1CN(Cc2cnn(C)c2)[C@@](C)(c2ccccc2)C[NH2+]1 ZINC000068699199 525025004 /nfs/dbraw/zinc/02/50/04/525025004.db2.gz JMUIOQTVYLPMFY-RHSMWYFYSA-N 1 0 284.407 2.129 10 0 CEAERO C[C@@H]1CN(c2cc(C(N)=[NH2+])c3ccccc3n2)CCCO1 ZINC000068798033 525061397 /nfs/dbraw/zinc/06/13/97/525061397.db2.gz XSTTWDSXHXVSSP-LLVKDONJSA-N 1 0 284.363 2.134 10 0 CEAERO Cc1cc(N2CC[NH+](CC3CC3)CC2)ccc1CO ZINC000050583107 525081272 /nfs/dbraw/zinc/08/12/72/525081272.db2.gz JSVPXRDGWGUPNH-UHFFFAOYSA-N 1 0 260.381 2.019 10 0 CEAERO Cc1cc(N2CCSC[C@H]2C)ccc1CC[NH3+] ZINC000070222403 525088133 /nfs/dbraw/zinc/08/81/33/525088133.db2.gz GIFJBUVMQJKLST-GFCCVEGCSA-N 1 0 250.411 2.438 10 0 CEAERO Cc1ccccc1CN(C)C(=O)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000048872778 525126255 /nfs/dbraw/zinc/12/62/55/525126255.db2.gz PBOBXLUXXZORIR-KGLIPLIRSA-N 1 0 260.381 2.342 10 0 CEAERO C[C@@H](NC(=O)C[C@@H]1CCC[NH2+]C1)c1ccsc1 ZINC000061366510 525127873 /nfs/dbraw/zinc/12/78/73/525127873.db2.gz DFBIZWOXTXRLLU-MNOVXSKESA-N 1 0 252.383 2.315 10 0 CEAERO C[C@@H](NC(=O)Cc1ccc(C[NH3+])cc1)C1CCCC1 ZINC000070305089 525133512 /nfs/dbraw/zinc/13/35/12/525133512.db2.gz BXHLSVLFEDPEAH-GFCCVEGCSA-N 1 0 260.381 2.383 10 0 CEAERO C[C@]([NH3+])(C(=O)NC[C@H]1CC=CCC1)c1ccccc1 ZINC000052883053 525144352 /nfs/dbraw/zinc/14/43/52/525144352.db2.gz ZMKBUGOSCBXAPX-XJKSGUPXSA-N 1 0 258.365 2.333 10 0 CEAERO C[C@@H]1CSCCN1c1nc(C2CC2)c(C[NH3+])s1 ZINC000070222238 525171570 /nfs/dbraw/zinc/17/15/70/525171570.db2.gz NCLRYNXCTJQZCD-MRVPVSSYSA-N 1 0 269.439 2.421 10 0 CEAERO Cc1ccc(NC(=O)[C@@H](C)[NH2+]CC2CCOCC2)cc1 ZINC000070218151 525193594 /nfs/dbraw/zinc/19/35/94/525193594.db2.gz VHHUVUROGBRZCM-CYBMUJFWSA-N 1 0 276.380 2.338 10 0 CEAERO Cc1cc(NC(=O)[C@H]2CC[C@@H](C)[NH2+]C2)ccc1F ZINC000061120316 525234641 /nfs/dbraw/zinc/23/46/41/525234641.db2.gz ZYTRNQPHFYZCDW-MNOVXSKESA-N 1 0 250.317 2.461 10 0 CEAERO Cc1ccccc1NCC[N@H+]1CCC[C@@H]1CN(C)C ZINC000061655186 525268260 /nfs/dbraw/zinc/26/82/60/525268260.db2.gz ZTFFKXVFDBGRCS-OAHLLOKOSA-N 1 0 261.413 2.433 10 0 CEAERO Cc1ccccc1OCCCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000155474227 525291205 /nfs/dbraw/zinc/29/12/05/525291205.db2.gz WWTRQCFCXKXYMN-ZIAGYGMSSA-N 1 0 276.380 2.008 10 0 CEAERO Cc1cc(OC(F)F)c(C(=O)N2CCC[C@H]([NH3+])C2)s1 ZINC000158593298 525354744 /nfs/dbraw/zinc/35/47/44/525354744.db2.gz MBUBPVFNJDHWSD-QMMMGPOBSA-N 1 0 290.335 2.221 10 0 CEAERO Cc1ccccc1[C@@H](C)n1nnnc1C[NH2+]C(C)(C)C ZINC000054747912 525364332 /nfs/dbraw/zinc/36/43/32/525364332.db2.gz UDWYNPJHTQDQQU-GFCCVEGCSA-N 1 0 273.384 2.479 10 0 CEAERO COc1ccc([C@H](O)[C@H]([NH3+])c2ccccc2)c(OC)c1 ZINC000054682425 525379347 /nfs/dbraw/zinc/37/93/47/525379347.db2.gz ISMDOTMBGOSBDD-CVEARBPZSA-N 1 0 273.332 2.437 10 0 CEAERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000155922220 525414279 /nfs/dbraw/zinc/41/42/79/525414279.db2.gz OKGZPQVGTXAWKQ-KFWWJZLASA-N 1 0 290.407 2.281 10 0 CEAERO Cc1ccccc1[C@H](C)[NH2+][C@H]1CC(=O)N(C(C)C)C1=O ZINC000049525497 525416346 /nfs/dbraw/zinc/41/63/46/525416346.db2.gz WHOLPRDHJKVHEA-JSGCOSHPSA-N 1 0 274.364 2.182 10 0 CEAERO Cc1ccccc1[C@H](C)n1nnnc1C[NH2+]C(C)C ZINC000054747907 525420063 /nfs/dbraw/zinc/42/00/63/525420063.db2.gz JHFYVHSLCVTJSJ-LBPRGKRZSA-N 1 0 259.357 2.089 10 0 CEAERO Cc1ccc(O[C@@H](C)C[C@](C)([NH2+]C(C)C)C(N)=O)cc1 ZINC000068653539 525461907 /nfs/dbraw/zinc/46/19/07/525461907.db2.gz NVUAGEMFTDEQGO-BBRMVZONSA-N 1 0 278.396 2.394 10 0 CEAERO C[NH2+][C@H](C)c1cc(F)ccc1N1CCOC[C@@H]1C ZINC000035776768 536406507 /nfs/dbraw/zinc/40/65/07/536406507.db2.gz HAFVGIJRLHPULC-WDEREUQCSA-N 1 0 252.333 2.331 10 0 CEAERO CSC[C@@H](C)C[NH2+][C@H]1CCS(=O)(=O)c2ccccc21 ZINC000069438818 525623045 /nfs/dbraw/zinc/62/30/45/525623045.db2.gz HTPSAEDSJJAVQQ-AAEUAGOBSA-N 1 0 299.461 2.494 10 0 CEAERO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cccnc1C(N)=S ZINC000061663655 525642060 /nfs/dbraw/zinc/64/20/60/525642060.db2.gz NFOKQYKXFBZESY-WDEREUQCSA-N 1 0 263.410 2.336 10 0 CEAERO Cc1cc2ncnn2c(N[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000049502138 525686569 /nfs/dbraw/zinc/68/65/69/525686569.db2.gz DQNBGSRJBZXBHJ-ZDUSSCGKSA-N 1 0 273.384 2.324 10 0 CEAERO Cc1c(C)n([C@H](C)CC[NH+](C)C)c2nc(C)nc(N)c12 ZINC000049559815 525687823 /nfs/dbraw/zinc/68/78/23/525687823.db2.gz SPBIJQPUSDZLHB-SECBINFHSA-N 1 0 275.400 2.451 10 0 CEAERO C[C@@H]1c2ccsc2CCN1CC[NH2+]C1CCOCC1 ZINC000062767766 525736394 /nfs/dbraw/zinc/73/63/94/525736394.db2.gz DLVFMFYMWATWLS-GFCCVEGCSA-N 1 0 280.437 2.436 10 0 CEAERO C[C@@]([NH3+])(CCCS(C)(=O)=O)c1cccc(Cl)c1 ZINC000063016348 525748287 /nfs/dbraw/zinc/74/82/87/525748287.db2.gz GAZMNMZNXQWLEC-GFCCVEGCSA-N 1 0 275.801 2.339 10 0 CEAERO C[C@@]([NH3+])(c1cncnc1)c1ccccc1Br ZINC000052887684 525750612 /nfs/dbraw/zinc/75/06/12/525750612.db2.gz ICTLAJCEIYXAIV-GFCCVEGCSA-N 1 0 278.153 2.461 10 0 CEAERO Cc1c(N)cc(C(=O)N[C@H](C)C[NH+]2CCCCC2)cc1F ZINC000049500490 525817478 /nfs/dbraw/zinc/81/74/78/525817478.db2.gz SRPWJNCGZIATBB-LLVKDONJSA-N 1 0 293.386 2.321 10 0 CEAERO C[C@H](O)c1ccccc1NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000070255679 525860774 /nfs/dbraw/zinc/86/07/74/525860774.db2.gz RVVMELUMRHILMF-AAEUAGOBSA-N 1 0 274.364 2.068 10 0 CEAERO C[C@@H](O)c1nc2cc(N)ccc2n1CC(C)(C)[NH+](C)C ZINC000053737538 525881397 /nfs/dbraw/zinc/88/13/97/525881397.db2.gz ZXSIMMNGVOGQGR-SNVBAGLBSA-N 1 0 276.384 2.012 10 0 CEAERO Cc1ccsc1[C@H]([NH3+])c1ccc2c(c1)n(C)c(=O)n2C ZINC000051392339 525890849 /nfs/dbraw/zinc/89/08/49/525890849.db2.gz GOABMWYSCJKADX-CYBMUJFWSA-N 1 0 287.388 2.295 10 0 CEAERO COc1cccc(CN(C)Cc2occc2C[NH3+])c1 ZINC000052372918 525916512 /nfs/dbraw/zinc/91/65/12/525916512.db2.gz QYAFPXAPVBLVHS-UHFFFAOYSA-N 1 0 260.337 2.379 10 0 CEAERO C[C@H](Oc1ccc(C[NH2+]C(C)(C)C)cc1)C(=O)N(C)C ZINC000062728735 525929536 /nfs/dbraw/zinc/92/95/36/525929536.db2.gz LZLNBTVFHUYLRH-LBPRGKRZSA-N 1 0 278.396 2.430 10 0 CEAERO C[C@H](C(=O)NC1CCCC1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063190365 526030243 /nfs/dbraw/zinc/03/02/43/526030243.db2.gz HMCQCFQTRGQYJQ-VNQPRFMTSA-N 1 0 293.455 2.040 10 0 CEAERO C[C@@H](c1ccc(Br)cc1)N1C[C@@H]([NH3+])CC1=O ZINC000049526772 526037176 /nfs/dbraw/zinc/03/71/76/526037176.db2.gz BREGPPHYBUDXTQ-KWQFWETISA-N 1 0 283.169 2.070 10 0 CEAERO Cc1cnc(CNC2=[NH+][C@H](CC(C)C)CS2)cn1 ZINC000061322104 526038337 /nfs/dbraw/zinc/03/83/37/526038337.db2.gz ZXAIDRNYCXVGQC-LLVKDONJSA-N 1 0 264.398 2.392 10 0 CEAERO C[C@@H](c1ccccc1)[C@@H](C[NH3+])N1CCOCC1(C)C ZINC000048926822 526095405 /nfs/dbraw/zinc/09/54/05/526095405.db2.gz VPWYSULPGITGIV-DZGCQCFKSA-N 1 0 262.397 2.228 10 0 CEAERO COc1cccc(N(C)C(=O)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000070255989 526129420 /nfs/dbraw/zinc/12/94/20/526129420.db2.gz KXYMDOBLLALBQB-CQSZACIVSA-N 1 0 274.364 2.048 10 0 CEAERO Cc1ccc(C(=O)N2[C@H](C)CCC[C@H]2C[NH3+])cc1O ZINC000070152009 526142227 /nfs/dbraw/zinc/14/22/27/526142227.db2.gz ARWDFTSRXSVEDR-YPMHNXCESA-N 1 0 262.353 2.043 10 0 CEAERO C[C@H](c1nc(-c2cccc(Cl)c2)no1)N1CC[NH2+]CC1 ZINC000051640263 526168803 /nfs/dbraw/zinc/16/88/03/526168803.db2.gz TUDSDBATBJGUHG-SNVBAGLBSA-N 1 0 292.770 2.356 10 0 CEAERO Cc1ccc(C(=O)NC[C@H]2CC[C@@H](C)[NH2+]C2)c(C)c1 ZINC000062036675 526182179 /nfs/dbraw/zinc/18/21/79/526182179.db2.gz WBUXXOPKLZWZJG-KGLIPLIRSA-N 1 0 260.381 2.421 10 0 CEAERO COc1cccc(NC(=O)NC[C@@H]2CCC[C@@H](C)[NH2+]2)c1 ZINC000051574040 526191114 /nfs/dbraw/zinc/19/11/14/526191114.db2.gz MZAVYMBTZSPCFQ-YPMHNXCESA-N 1 0 277.368 2.347 10 0 CEAERO Cc1cc(C(=O)N2CCC[C@H]2[C@H]2CCC[NH2+]2)c(C)o1 ZINC000051358645 526251068 /nfs/dbraw/zinc/25/10/68/526251068.db2.gz HFZHFRWFHJJCLT-KGLIPLIRSA-N 1 0 262.353 2.253 10 0 CEAERO Cc1ccc(C(N)=S)c(N2CCC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000062943021 526254772 /nfs/dbraw/zinc/25/47/72/526254772.db2.gz HTAIOLZQDWFCJK-CYBMUJFWSA-N 1 0 289.448 2.304 10 0 CEAERO Cc1nn(CCOc2ccccc2)c(C)c1C[C@H](C)[NH3+] ZINC000062803280 526281463 /nfs/dbraw/zinc/28/14/63/526281463.db2.gz DTOYJSVHGWYWJM-LBPRGKRZSA-N 1 0 273.380 2.469 10 0 CEAERO Cc1nn([C@H](C)C[NH2+]C[C@@H]2CCCO2)c(C)c1Cl ZINC000053536400 526306556 /nfs/dbraw/zinc/30/65/56/526306556.db2.gz UESXIRSKQWVRHP-SKDRFNHKSA-N 1 0 271.792 2.483 10 0 CEAERO Cc1nnc(N2C[C@@H](C)[NH2+][C@@H](C)C2)c2ccccc12 ZINC000053712169 526360954 /nfs/dbraw/zinc/36/09/54/526360954.db2.gz LJTKQJFAUDJYDZ-PHIMTYICSA-N 1 0 256.353 2.125 10 0 CEAERO Fc1cccc(OCC[NH2+]C[C@@H]2CCCO2)c1F ZINC000062655133 526398168 /nfs/dbraw/zinc/39/81/68/526398168.db2.gz NOVZUQPOBCHXFN-JTQLQIEISA-N 1 0 257.280 2.112 10 0 CEAERO c1ccc([C@H]2CN(Cc3ccccn3)CC[NH2+]2)cc1 ZINC000068693508 526498909 /nfs/dbraw/zinc/49/89/09/526498909.db2.gz MWLTVYNPTWUZKA-MRXNPFEDSA-N 1 0 253.349 2.228 10 0 CEAERO O=C(CC[NH2+][C@@H]1CCCc2sccc21)NC1CC1 ZINC000061362162 526515180 /nfs/dbraw/zinc/51/51/80/526515180.db2.gz ACFVEJVEYDLCEZ-GFCCVEGCSA-N 1 0 264.394 2.384 10 0 CEAERO O=C(CC[C@H]1CCCC[NH2+]1)NCc1ccccc1F ZINC000050940107 526565679 /nfs/dbraw/zinc/56/56/79/526565679.db2.gz IZLZNTPROQSMPT-CYBMUJFWSA-N 1 0 264.344 2.364 10 0 CEAERO Cc1nc(-c2ccncc2)nc(C)c1CC[NH2+]C1CC1 ZINC000054853868 526618057 /nfs/dbraw/zinc/61/80/57/526618057.db2.gz WPKUDTKLQUJFIK-UHFFFAOYSA-N 1 0 268.364 2.450 10 0 CEAERO Cc1nc(C2CCOCC2)[nH+]c(NN)c1C(C)C ZINC000061689077 526785067 /nfs/dbraw/zinc/78/50/67/526785067.db2.gz JUCUKQRMJLMHIR-UHFFFAOYSA-N 1 0 250.346 2.088 10 0 CEAERO O=C(c1ccccc1F)N1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000051358308 526805257 /nfs/dbraw/zinc/80/52/57/526805257.db2.gz ROTKGDMXGWWSCJ-ZIAGYGMSSA-N 1 0 262.328 2.182 10 0 CEAERO NC(=[NH2+])c1c(Cl)cccc1-n1nnc(-c2ccccc2)n1 ZINC000052906444 526819812 /nfs/dbraw/zinc/81/98/12/526819812.db2.gz QBVVTAPMEKCYJH-UHFFFAOYSA-N 1 0 298.737 2.267 10 0 CEAERO NC(=[NH2+])c1ccc(Sc2nccc(=O)[nH]2)c(Cl)c1 ZINC000062794857 526823885 /nfs/dbraw/zinc/82/38/85/526823885.db2.gz NBMDUFLUWKGQFI-UHFFFAOYSA-N 1 0 280.740 2.271 10 0 CEAERO Cc1nc(CN(C)C(=O)CC[C@@H]2CCCC[NH2+]2)cs1 ZINC000050951748 526832865 /nfs/dbraw/zinc/83/28/65/526832865.db2.gz DYHPAFVUKMVJAO-LBPRGKRZSA-N 1 0 281.425 2.332 10 0 CEAERO Cc1nc(CNCC[C@H]2CCCC[N@H+]2C)cs1 ZINC000052205834 526888176 /nfs/dbraw/zinc/88/81/76/526888176.db2.gz MAJDOZBXGYUYFD-CYBMUJFWSA-N 1 0 253.415 2.416 10 0 CEAERO Cc1nc(C[NH2+][C@]2(CO)CCC[C@@H](C)C2)cs1 ZINC000053116174 526894713 /nfs/dbraw/zinc/89/47/13/526894713.db2.gz RWXXODAXGBBSAV-ZWNOBZJWSA-N 1 0 254.399 2.482 10 0 CEAERO CC(=O)Nc1cc(N[C@@H](C)[C@@H]2CC[NH2+]C2)ccc1F ZINC000400444308 526928447 /nfs/dbraw/zinc/92/84/47/526928447.db2.gz NFMUTVZEHJICOJ-GXSJLCMTSA-N 1 0 265.332 2.194 10 0 CEAERO O=C(COC[C@H]1CCC[NH2+]C1)Nc1cccc(Cl)c1 ZINC000051815371 526935576 /nfs/dbraw/zinc/93/55/76/526935576.db2.gz KUKBDBOQJJZMKC-NSHDSACASA-N 1 0 282.771 2.295 10 0 CEAERO Clc1ccc(N2CCC[C@H]2C[NH2+]C2CC2)nc1 ZINC000053694651 526956011 /nfs/dbraw/zinc/95/60/11/526956011.db2.gz GAPWDFJMFRHGDY-LBPRGKRZSA-N 1 0 251.761 2.456 10 0 CEAERO Clc1cccc(-c2cc(N3CC[NH2+]CC3)n[nH]2)c1 ZINC000062669952 526970681 /nfs/dbraw/zinc/97/06/81/526970681.db2.gz UIEKFOBSYLWKGN-UHFFFAOYSA-N 1 0 262.744 2.140 10 0 CEAERO Cc1nc(N2CCOCC2(C)C)sc1C[NH2+]C1CC1 ZINC000055001882 526971039 /nfs/dbraw/zinc/97/10/39/526971039.db2.gz VHZYJWARIOKHEE-UHFFFAOYSA-N 1 0 281.425 2.319 10 0 CEAERO O=C1CCc2ccc(F)cc2N1CC[C@@H]1CCC[NH2+]C1 ZINC000051919737 526998732 /nfs/dbraw/zinc/99/87/32/526998732.db2.gz STSZBEJFZSIFRN-LBPRGKRZSA-N 1 0 276.355 2.495 10 0 CEAERO NC(=O)[C@]1([NH2+]C2CCCC2)CCCc2sccc21 ZINC000061329906 527016601 /nfs/dbraw/zinc/01/66/01/527016601.db2.gz AJXNCUBDPNMCKE-AWEZNQCLSA-N 1 0 264.394 2.297 10 0 CEAERO NC(=O)c1c(Cl)cccc1OCC[C@H]1CCC[NH2+]C1 ZINC000052908654 527019170 /nfs/dbraw/zinc/01/91/70/527019170.db2.gz IAMXKGQSUHFYNR-SNVBAGLBSA-N 1 0 282.771 2.207 10 0 CEAERO NC(=O)c1cc(N[C@@H]2CCCC[C@H]2[NH3+])nc2ccccc21 ZINC000068770788 527032580 /nfs/dbraw/zinc/03/25/80/527032580.db2.gz SYMMUFYCVJLUJR-TZMCWYRMSA-N 1 0 284.363 2.016 10 0 CEAERO NC(=S)c1ccc(F)c(C[N@@H+]2CCC[C@H]2CCCO)c1 ZINC000052759748 527119293 /nfs/dbraw/zinc/11/92/93/527119293.db2.gz MSQUASCZZFTQJT-ZDUSSCGKSA-N 1 0 296.411 2.197 10 0 CEAERO [NH3+]C1CCC(C(=O)Nc2nc3c(s2)CCC3)CC1 ZINC000049547740 527139189 /nfs/dbraw/zinc/13/91/89/527139189.db2.gz BMQAAWDWWAFXAI-UHFFFAOYSA-N 1 0 265.382 2.088 10 0 CEAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccc2c(c1)OCO2 ZINC000061675085 527145434 /nfs/dbraw/zinc/14/54/34/527145434.db2.gz OUFOPQXFHUHWLX-AGUYFDCRSA-N 1 0 274.364 2.260 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(F)c1F ZINC000054212010 527146667 /nfs/dbraw/zinc/14/66/67/527146667.db2.gz DUMUOQUOMHDZQN-PBINXNQUSA-N 1 0 266.291 2.059 10 0 CEAERO [NH3+]CCCN(C(=O)NC1CC1)C1CCCCCC1 ZINC000054456918 527177620 /nfs/dbraw/zinc/17/76/20/527177620.db2.gz RLDXNYCNEYXZPN-UHFFFAOYSA-N 1 0 253.390 2.232 10 0 CEAERO [NH3+]CCCc1nnc(-c2cc(Cl)ccc2F)o1 ZINC000050283580 527182760 /nfs/dbraw/zinc/18/27/60/527182760.db2.gz NQIXECCKAGSJOW-UHFFFAOYSA-N 1 0 255.680 2.420 10 0 CEAERO [NH3+]CCC[C@H]1CCCN1C(=O)CC[C@@H]1CCCCO1 ZINC000069405730 527183085 /nfs/dbraw/zinc/18/30/85/527183085.db2.gz SRZGIKSEHDXVEH-KBPBESRZSA-N 1 0 268.401 2.066 10 0 CEAERO [NH3+]CC[C@H]1CCCN(S(=O)(=O)/C=C/c2ccccc2)C1 ZINC000070170396 527194772 /nfs/dbraw/zinc/19/47/72/527194772.db2.gz HOBHUGPRAQVPNB-SAAWKEMMSA-N 1 0 294.420 2.048 10 0 CEAERO [NH3+]CCc1cc(Cl)ccc1OC1CCOCC1 ZINC000069310480 527195350 /nfs/dbraw/zinc/19/53/50/527195350.db2.gz LNDVIPPSKVRSDY-UHFFFAOYSA-N 1 0 255.745 2.399 10 0 CEAERO [NH3+]CCc1ccnc(Cc2ccc(Br)cc2)n1 ZINC000054833677 527197741 /nfs/dbraw/zinc/19/77/41/527197741.db2.gz JLSNZZWKTPKVQG-UHFFFAOYSA-N 1 0 292.180 2.331 10 0 CEAERO [NH3+]C[C@@H](C(=O)Nc1cccc2n[nH]cc21)c1ccccc1 ZINC000061611924 527202722 /nfs/dbraw/zinc/20/27/22/527202722.db2.gz HAEPQDGNVIZHEX-GFCCVEGCSA-N 1 0 280.331 2.244 10 0 CEAERO [NH3+]C[C@@H]1C[C@@H]1c1cc2c(c(Br)c1)OCO2 ZINC000054586976 527221460 /nfs/dbraw/zinc/22/14/60/527221460.db2.gz JDFXGJZAPDDHHT-JGVFFNPUSA-N 1 0 270.126 2.240 10 0 CEAERO [NH3+]C[C@H](C(=O)Nc1cccc2n[nH]cc21)c1ccccc1 ZINC000061611925 527225393 /nfs/dbraw/zinc/22/53/93/527225393.db2.gz HAEPQDGNVIZHEX-LBPRGKRZSA-N 1 0 280.331 2.244 10 0 CEAERO Cn1cc(Cl)cc1C(=O)N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000051358927 527237845 /nfs/dbraw/zinc/23/78/45/527237845.db2.gz POTXWJKCMRUHKC-RYUDHWBXSA-N 1 0 281.787 2.035 10 0 CEAERO [NH3+]Cc1c(N2Cc3ccccc3C2)nc2ccccn21 ZINC000050911783 527242974 /nfs/dbraw/zinc/24/29/74/527242974.db2.gz YGJRAPWQNXRFFU-UHFFFAOYSA-N 1 0 264.332 2.313 10 0 CEAERO [NH3+]Cc1cc(-n2nnc3ccccc32)nc2ccccc12 ZINC000051491566 527243160 /nfs/dbraw/zinc/24/31/60/527243160.db2.gz VTVOSXAIMNAJMW-UHFFFAOYSA-N 1 0 275.315 2.427 10 0 CEAERO [NH3+]Cc1ccc(F)cc1Cn1ncc(=O)c2ccccc21 ZINC000069401992 527254607 /nfs/dbraw/zinc/25/46/07/527254607.db2.gz ZLORQDGUHLEVED-UHFFFAOYSA-N 1 0 283.306 2.043 10 0 CEAERO [NH3+]Cc1ccc(NC(=O)NC2CC2)c(C(F)(F)F)c1 ZINC000054456977 527256353 /nfs/dbraw/zinc/25/63/53/527256353.db2.gz GFQUPCCYWOBVFN-UHFFFAOYSA-N 1 0 273.258 2.448 10 0 CEAERO [NH3+]Cc1ccnc(Cc2ccc(F)cc2Cl)n1 ZINC000062609148 527262127 /nfs/dbraw/zinc/26/21/27/527262127.db2.gz OMEPFGCQKUFWGR-UHFFFAOYSA-N 1 0 251.692 2.319 10 0 CEAERO [NH3+]Cc1nccnc1Sc1cc(F)ccc1F ZINC000054378835 527267660 /nfs/dbraw/zinc/26/76/60/527267660.db2.gz MQNGZPLFZVLFNK-UHFFFAOYSA-N 1 0 253.277 2.365 10 0 CEAERO NNc1cc(C(=O)Nc2ccc(Cl)cc2)cc[nH+]1 ZINC000051096327 527272684 /nfs/dbraw/zinc/27/26/84/527272684.db2.gz WOYDTRXKORHZBP-UHFFFAOYSA-N 1 0 262.700 2.273 10 0 CEAERO O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000069052704 527278309 /nfs/dbraw/zinc/27/83/09/527278309.db2.gz WJHNVUNQNQMXNL-PVXIVEMSSA-N 1 0 268.360 2.483 10 0 CEAERO NNc1[nH+]c(Cc2cccs2)nc2c1CCCC2 ZINC000052901194 527285299 /nfs/dbraw/zinc/28/52/99/527285299.db2.gz ULYZDFVPMFGJOH-UHFFFAOYSA-N 1 0 260.366 2.293 10 0 CEAERO NNc1[nH+]cccc1CN1c2ccccc2CCCC1=O ZINC000052726652 527288941 /nfs/dbraw/zinc/28/89/41/527288941.db2.gz VDCAOMGXXLJCHV-UHFFFAOYSA-N 1 0 282.347 2.237 10 0 CEAERO [NH3+][C@@H]1COc2cc(OCCc3ccncc3)ccc21 ZINC000062803648 527376498 /nfs/dbraw/zinc/37/64/98/527376498.db2.gz KBVVOXFCECMKII-CQSZACIVSA-N 1 0 256.305 2.095 10 0 CEAERO [NH3+][C@H](c1ccc2c(c1)CCO2)c1ccc2[nH]c(=O)oc2c1 ZINC000050892104 527390809 /nfs/dbraw/zinc/39/08/09/527390809.db2.gz JIIGDDVKEFVNPL-OAHLLOKOSA-N 1 0 282.299 2.104 10 0 CEAERO [NH3+][C@H](c1ccccc1)[C@@H](O)c1ccc2c(c1)OCCO2 ZINC000054681942 527392191 /nfs/dbraw/zinc/39/21/91/527392191.db2.gz QNPDAQVEUMGMTF-CVEARBPZSA-N 1 0 271.316 2.191 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1NC(=O)c1c(F)cccc1Cl ZINC000063172755 527404206 /nfs/dbraw/zinc/40/42/06/527404206.db2.gz BEYATJONOGPPLU-UWVGGRQHSA-N 1 0 256.708 2.089 10 0 CEAERO [NH3+][C@H]1CC[C@@H]2CN(C(=O)C3(c4ccccc4)CC3)C[C@@H]2C1 ZINC000061618335 527414288 /nfs/dbraw/zinc/41/42/88/527414288.db2.gz JCLVCCGUNIUHRZ-YCPHGPKFSA-N 1 0 284.403 2.304 10 0 CEAERO [NH3+][C@H]1COc2cc(OCCc3ccncc3)ccc21 ZINC000062803647 527417150 /nfs/dbraw/zinc/41/71/50/527417150.db2.gz KBVVOXFCECMKII-AWEZNQCLSA-N 1 0 256.305 2.095 10 0 CEAERO O=c1[nH][nH]c(=S)n1C1CC[NH+](Cc2ccccc2)CC1 ZINC000061591155 527435031 /nfs/dbraw/zinc/43/50/31/527435031.db2.gz UKZKHBOOIUWRCM-UHFFFAOYSA-N 1 0 290.392 2.071 10 0 CEAERO Cn1ccnc1Sc1cc(C(N)=[NH2+])c2ccccc2n1 ZINC000068798353 527449614 /nfs/dbraw/zinc/44/96/14/527449614.db2.gz YZRQNDOZDXOEKB-UHFFFAOYSA-N 1 0 283.360 2.404 10 0 CEAERO OCCC[C@H]1CCC[N@@H+]1CC1(CO)CCCCC1 ZINC000052763436 527546781 /nfs/dbraw/zinc/54/67/81/527546781.db2.gz RZQZRQYJABHXMG-CQSZACIVSA-N 1 0 255.402 2.166 10 0 CEAERO Nc1nc2c(cccc2F)n1CC[NH+]1CCCCC1 ZINC000049575357 527559477 /nfs/dbraw/zinc/55/94/77/527559477.db2.gz OYCIRBWRUVZLKE-UHFFFAOYSA-N 1 0 262.332 2.244 10 0 CEAERO Nc1nc2ccccc2cc1C[N@@H+]1CCCC[C@@H]1CO ZINC000050817062 527560852 /nfs/dbraw/zinc/56/08/52/527560852.db2.gz FSYNZZVKAIBOBU-CQSZACIVSA-N 1 0 271.364 2.164 10 0 CEAERO Nc1[nH+]c2cccc(Cl)c2n1[C@H]1CCCS(=O)(=O)C1 ZINC000069145419 527561361 /nfs/dbraw/zinc/56/13/61/527561361.db2.gz RSWLSNTVKUKWLX-QMMMGPOBSA-N 1 0 299.783 2.022 10 0 CEAERO Cn1nccc1C(=O)Nc1ccc(C[NH3+])cc1C(F)(F)F ZINC000061665173 527596117 /nfs/dbraw/zinc/59/61/17/527596117.db2.gz UGTNXXUWIZRNTA-UHFFFAOYSA-N 1 0 298.268 2.150 10 0 CEAERO Cc1nn(C)c(-n2ccnc2C)c1C[NH2+]C(C)(C)C ZINC000062738603 527598409 /nfs/dbraw/zinc/59/84/09/527598409.db2.gz URUMVJSOCYGBBK-UHFFFAOYSA-N 1 0 261.373 2.111 10 0 CEAERO Cn1nccc1[C@H]([NH3+])c1cccc(Br)c1 ZINC000069020481 527628674 /nfs/dbraw/zinc/62/86/74/527628674.db2.gz UKUDROSBGPNOLZ-LLVKDONJSA-N 1 0 266.142 2.231 10 0 CEAERO O[C@@H](c1ccc(Br)cc1F)[C@@H]1CCC[NH2+]1 ZINC000069843697 527665892 /nfs/dbraw/zinc/66/58/92/527665892.db2.gz XFPJWZUAVZAQOW-QWRGUYRKSA-N 1 0 274.133 2.374 10 0 CEAERO FC(F)(F)CN1CCN([C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000069267210 527667763 /nfs/dbraw/zinc/66/77/63/527667763.db2.gz YENYHMPRMFVFKQ-CQSZACIVSA-N 1 0 299.340 2.011 10 0 CEAERO FC(F)(F)COCCC[NH2+]CC[C@@H]1CCCO1 ZINC000049312401 527668486 /nfs/dbraw/zinc/66/84/86/527668486.db2.gz SPGLJEZFUFVQPZ-JTQLQIEISA-N 1 0 255.280 2.114 10 0 CEAERO Cc1nn(C)c(N2CCC[C@H]2C)c1C[NH2+]CC(C)C ZINC000062736471 527676253 /nfs/dbraw/zinc/67/62/53/527676253.db2.gz OXBSUYGKRNCVLG-GFCCVEGCSA-N 1 0 264.417 2.463 10 0 CEAERO Cc1nn(C)c(N2CC[C@H](C)C2)c1C[NH2+]C(C)(C)C ZINC000062736631 527677060 /nfs/dbraw/zinc/67/70/60/527677060.db2.gz VEYBGGGUSAXFJW-NSHDSACASA-N 1 0 264.417 2.463 10 0 CEAERO CCCC1(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000177250848 528047611 /nfs/dbraw/zinc/04/76/11/528047611.db2.gz NHNDKRQLAMHNTE-CQSZACIVSA-N 1 0 279.428 2.446 10 0 CEAERO CC(C)[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000173330103 528965934 /nfs/dbraw/zinc/96/59/34/528965934.db2.gz DUCLCKTWUQWNOR-AVGNSLFASA-N 1 0 255.406 2.155 10 0 CEAERO CCC[NH2+][C@@H](C)c1cc(F)ccc1N1CCN(C)C(=O)C1 ZINC000084204826 535185979 /nfs/dbraw/zinc/18/59/79/535185979.db2.gz UBXZQGBNGCGUGR-LBPRGKRZSA-N 1 0 293.386 2.165 10 0 CEAERO CC[NH2+][C@H]1CCCN(c2cc(OC)cc(OC)c2)C1 ZINC000071197922 535515988 /nfs/dbraw/zinc/51/59/88/535515988.db2.gz VCHRXWYEXSNNFI-LBPRGKRZSA-N 1 0 264.369 2.282 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C)CN1c1ccc(N2CCOCC2)cc1 ZINC000086175373 536169513 /nfs/dbraw/zinc/16/95/13/536169513.db2.gz NMAFWGVPIQSGNY-CABCVRRESA-N 1 0 289.423 2.100 10 0 CEAERO CN1CCCc2cc([C@@H](O)C3(C[NH3+])CCC3)ccc21 ZINC000091909794 536397368 /nfs/dbraw/zinc/39/73/68/536397368.db2.gz ANVBUXNCIUHDKA-OAHLLOKOSA-N 1 0 260.381 2.231 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000227389369 538816388 /nfs/dbraw/zinc/81/63/88/538816388.db2.gz DIMQPQRBXIRWHX-XHSDSOJGSA-N 1 0 272.392 2.378 10 0 CEAERO CC[C@@H]1C[N@@H+]2CC[C@]34c5ccccc5N[C@H]3[C@@H](CO)[C@H]1C[C@H]24 ZINC000004097953 560195125 /nfs/dbraw/zinc/19/51/25/560195125.db2.gz FAQGZHFLASTWAV-RWANUPMISA-N 1 0 298.430 2.461 10 0 in-vitro CEAERO CC1(C)C[NH2+][C@@]2(CCCSC2)O[C@]12CCOC2 ZINC000757144978 574510336 /nfs/dbraw/zinc/51/03/36/574510336.db2.gz NZRDIZLSLLWUAT-STQMWFEESA-N 1 0 257.399 2.015 10 0 CEAERO CC[N@@H+]1CCC[C@H](c2ccc(NS(C)(=O)=O)cc2)C1 ZINC000757567122 574514026 /nfs/dbraw/zinc/51/40/26/574514026.db2.gz NGJQKAJGBUNJDG-ZDUSSCGKSA-N 1 0 282.409 2.257 10 0 CEAERO [NH3+]Cc1cccc(-c2c[nH]c(=O)c3ncccc23)c1 ZINC000757569868 574514150 /nfs/dbraw/zinc/51/41/50/574514150.db2.gz AEUXJIQKLVNUIM-UHFFFAOYSA-N 1 0 251.289 2.461 10 0 CEAERO CCC[C@@]1(C[NH3+])CN(C(=O)[C@H](C)C(C)(C)C)CCO1 ZINC000675059496 570365734 /nfs/dbraw/zinc/36/57/34/570365734.db2.gz QGWIDOXAAFRQLF-SWLSCSKDSA-N 1 0 270.417 2.025 10 0 CEAERO CCC[C@@H](C(=O)NCCc1ccccc1OCC)[NH+](C)C ZINC000131896127 625280922 /nfs/dbraw/zinc/28/09/22/625280922.db2.gz SGZUHAWZFPEQBE-HNNXBMFYSA-N 1 0 292.423 2.474 10 0 CEAERO Cc1cnn(CC[NH2+][C@H]2CCN(Cc3ccccc3)[C@H]2C)c1 ZINC000309720314 625293744 /nfs/dbraw/zinc/29/37/44/625293744.db2.gz MAMPHEKVJHMAJN-WMZOPIPTSA-N 1 0 298.434 2.444 10 0 CEAERO Nc1nc(NCCCNc2cccnc2)c2c([nH+]1)CCCC2 ZINC000095387623 625473332 /nfs/dbraw/zinc/47/33/32/625473332.db2.gz MBCWPSSLRZKDKJ-UHFFFAOYSA-N 1 0 298.394 2.247 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)/C=C\c1ccccc1 ZINC000255200630 623348317 /nfs/dbraw/zinc/34/83/17/623348317.db2.gz VSTCSLVZRGZJJQ-WQTVUKCASA-N 1 0 294.420 2.061 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000261551726 623373417 /nfs/dbraw/zinc/37/34/17/623373417.db2.gz WUONNKWXYYMVEC-BBBLOLIVSA-N 1 0 266.307 2.079 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1C(=O)c1cc(Cl)nc(Cl)c1 ZINC000237846628 623410162 /nfs/dbraw/zinc/41/01/62/623410162.db2.gz HYFAOLHIPWCKAZ-VIFPVBQESA-N 1 0 288.178 2.342 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1C(=O)Nc1nc2ccccc2[nH]1 ZINC000089399461 623464634 /nfs/dbraw/zinc/46/46/34/623464634.db2.gz YZSBAWJDXPOHFX-QWRGUYRKSA-N 1 0 272.352 2.267 10 0 CEAERO CC/C=C(\C)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1CC ZINC000255266291 623485632 /nfs/dbraw/zinc/48/56/32/623485632.db2.gz SNHRXWNEAKLANE-NMEJBFKPSA-N 1 0 250.386 2.428 10 0 CEAERO C[C@@H]1C[N@H+](C[C@](C)(O)c2ccccc2)CC(C)(C)O1 ZINC000052097445 625662498 /nfs/dbraw/zinc/66/24/98/625662498.db2.gz ZBHQYEMYRHILBR-CJNGLKHVSA-N 1 0 263.381 2.393 10 0 CEAERO C/C=C(/C)C[N@@H+]1CC[C@H](CNC(=O)Cc2ccncc2)C1 ZINC000096842700 623649343 /nfs/dbraw/zinc/64/93/43/623649343.db2.gz LZAJYVMWIMHFMA-AUBBPRACSA-N 1 0 287.407 2.028 10 0 CEAERO Cc1csc(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)c1Cl ZINC000235635412 625681548 /nfs/dbraw/zinc/68/15/48/625681548.db2.gz SHUOVKXUEQTDSV-POYBYMJQSA-N 1 0 258.774 2.129 10 0 CEAERO O[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000094371809 624144257 /nfs/dbraw/zinc/14/42/57/624144257.db2.gz QPAGAEPJEWGPKJ-HZSPNIEDSA-N 1 0 253.386 2.371 10 0 CEAERO Cc1ccccc1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000262037201 624315462 /nfs/dbraw/zinc/31/54/62/624315462.db2.gz YBEUBNVAKNOLKG-KURKYZTESA-N 1 0 288.435 2.284 10 0 CEAERO CCC(CC)(C[NH3+])C(=O)N[C@H]1CCOc2ccccc21 ZINC000051987633 624725555 /nfs/dbraw/zinc/72/55/55/624725555.db2.gz PUWAUSQCMODNLK-ZDUSSCGKSA-N 1 0 276.380 2.392 10 0 CEAERO C[NH2+]CCC(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000262283269 624915085 /nfs/dbraw/zinc/91/50/85/624915085.db2.gz XKEJNZADDCEBPB-SECBINFHSA-N 1 0 290.285 2.372 10 0 CEAERO C[C@@H](C[NH2+][C@@H]1COCC1(C)C)N(C)C(=O)OC(C)(C)C ZINC000312966774 628570702 /nfs/dbraw/zinc/57/07/02/628570702.db2.gz GDARORZDGFJUSG-NWDGAFQWSA-N 1 0 286.416 2.256 10 0 CEAERO Cc1cccc(Cc2noc(C[C@H]([NH3+])C(C)C)n2)c1 ZINC000104070388 628630316 /nfs/dbraw/zinc/63/03/16/628630316.db2.gz WDPHRYILGFTAGG-ZDUSSCGKSA-N 1 0 259.353 2.495 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CC1CCOCC1 ZINC000094434689 628714718 /nfs/dbraw/zinc/71/47/18/628714718.db2.gz XYKLUNNXSMSORD-HZPDHXFCSA-N 1 0 266.429 2.362 10 0 CEAERO [NH3+]CC[C@@H]1CCCN(c2ncc(Cl)cc2F)C1 ZINC000094052565 628750448 /nfs/dbraw/zinc/75/04/48/628750448.db2.gz XFLNAWYNCGTFJM-VIFPVBQESA-N 1 0 257.740 2.439 10 0 CEAERO Cc1ccccc1[C@H](C)[NH2+]C1CCN(CCO)CC1 ZINC000399066666 628773633 /nfs/dbraw/zinc/77/36/33/628773633.db2.gz BUOXVDWOEXDOSI-AWEZNQCLSA-N 1 0 262.397 2.102 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1c1nc(CCC(F)(F)F)no1 ZINC000094492303 628858613 /nfs/dbraw/zinc/85/86/13/628858613.db2.gz VRUQGJUABFHFHZ-YUMQZZPRSA-N 1 0 263.263 2.407 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CCCC(C)(C)CC1 ZINC000094648639 628870406 /nfs/dbraw/zinc/87/04/06/628870406.db2.gz DTUWOOVXQKSYFI-OLZOCXBDSA-N 1 0 252.402 2.413 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1Cc1cc(Cl)cc2c1OCC2 ZINC000261558290 628937901 /nfs/dbraw/zinc/93/79/01/628937901.db2.gz DERMOKKAGOIAAP-TVQRCGJNSA-N 1 0 266.772 2.196 10 0 CEAERO FC(F)(F)c1ccc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)nc1 ZINC000261580493 628941752 /nfs/dbraw/zinc/94/17/52/628941752.db2.gz FKOHQYFFALAYJI-MWLCHTKSSA-N 1 0 271.286 2.289 10 0 CEAERO CN(Cc1ccc(F)cc1)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000261602788 628945288 /nfs/dbraw/zinc/94/52/88/628945288.db2.gz QNFWCCSNCVFJEP-CQSZACIVSA-N 1 0 264.344 2.316 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)c1csc(-c2ccc(C)o2)n1 ZINC000261621856 628950132 /nfs/dbraw/zinc/95/01/32/628950132.db2.gz BLTPEMQHJYRKPX-QMMMGPOBSA-N 1 0 279.365 2.049 10 0 CEAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1cc(F)ccc1C ZINC000233698014 628956523 /nfs/dbraw/zinc/95/65/23/628956523.db2.gz MPWVNINAYXAKEN-OLZOCXBDSA-N 1 0 251.301 2.000 10 0 CEAERO Cc1sc2ncnc(N3CC[C@@H]4[NH2+]CC[C@@H]4C3)c2c1C ZINC000261710359 629143887 /nfs/dbraw/zinc/14/38/87/629143887.db2.gz JIKQULCKNHFELQ-NEPJUHHUSA-N 1 0 288.420 2.496 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)[C@H](C)CSc1ccccc1 ZINC000261752094 629183199 /nfs/dbraw/zinc/18/31/99/629183199.db2.gz NKDPDEISDFNGPX-VXGBXAGGSA-N 1 0 266.410 2.139 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)[C@H](OC1CCCC1)c1ccccc1 ZINC000261792912 629238191 /nfs/dbraw/zinc/23/81/91/629238191.db2.gz RAYGIUZMPUXILN-XJKSGUPXSA-N 1 0 290.407 2.411 10 0 CEAERO Cc1nc([C@H](C)NC(=O)CC[C@H]2CC[NH2+]C2)cs1 ZINC000261883874 629299334 /nfs/dbraw/zinc/29/93/34/629299334.db2.gz SEKVWFBWZAFLAK-ONGXEEELSA-N 1 0 267.398 2.018 10 0 CEAERO C[C@@H](NC(=O)[C@@H](C)C[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000262038562 629507427 /nfs/dbraw/zinc/50/74/27/629507427.db2.gz FXOUDEDHAVBLSY-DTWKUNHWSA-N 1 0 290.285 2.357 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(Cl)nc2)C1 ZINC000049210945 629853209 /nfs/dbraw/zinc/85/32/09/629853209.db2.gz WYKIYIXHTSYQGG-NSHDSACASA-N 1 0 282.775 2.341 10 0 CEAERO Cc1cc(CN2C[C@@H](C)[C@@H]([NH+](C)C)C2)cc(Cl)n1 ZINC000320497109 630824370 /nfs/dbraw/zinc/82/43/70/630824370.db2.gz STEGZJWJRUJPKJ-MFKMUULPSA-N 1 0 267.804 2.425 10 0 CEAERO CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000248832756 631207579 /nfs/dbraw/zinc/20/75/79/631207579.db2.gz BXDOPPBMXGATQR-IMJJTQAJSA-N 1 0 290.407 2.409 10 0 CEAERO C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000262907630 631253583 /nfs/dbraw/zinc/25/35/83/631253583.db2.gz FGNZCCLYNRPMAP-CTASWTNQSA-N 1 0 280.412 2.064 10 0 CEAERO Cc1cccc(CSCC(=O)N[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000237644116 631406927 /nfs/dbraw/zinc/40/69/27/631406927.db2.gz KREWMIMRJWWSGZ-GJZGRUSLSA-N 1 0 292.448 2.472 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)C1 ZINC000263494095 631445992 /nfs/dbraw/zinc/44/59/92/631445992.db2.gz JGAYBKDRZDNQFL-OEGGNGQFSA-N 1 0 282.428 2.338 10 0 CEAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(N(CC)CC)cc1 ZINC000757185065 631829755 /nfs/dbraw/zinc/82/97/55/631829755.db2.gz QCQQZAFIFHRAGE-HOTGVXAUSA-N 1 0 290.407 2.399 10 0 CEAERO COc1ccc2[nH]cc(C(=O)[C@H]3CCCN3C)c2c1 ZINC000034508471 632346369 /nfs/dbraw/zinc/34/63/69/632346369.db2.gz PIDKOVWQCFASGM-CQSZACIVSA-N 1 0 258.321 2.453 10 0 CEAERO c1ccc(OCCc2nc(C3CC[NH2+]CC3)no2)cc1 ZINC000041409608 632413977 /nfs/dbraw/zinc/41/39/77/632413977.db2.gz XKHVEHUSRBKIQG-UHFFFAOYSA-N 1 0 273.336 2.158 10 0 CEAERO COc1ncc(Cl)c(NCc2ccc(CC[NH3+])cc2)n1 ZINC000125983159 650291127 /nfs/dbraw/zinc/29/11/27/650291127.db2.gz AWXUGWFPOBCAMK-UHFFFAOYSA-N 1 0 292.770 2.252 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1c1nc(-c2cscn2)no1 ZINC000150263090 638076085 /nfs/dbraw/zinc/07/60/85/638076085.db2.gz KDDFXAFFEKAIJC-YUMQZZPRSA-N 1 0 250.327 2.036 10 0 CEAERO Cc1ccnc(C[C@@H](C)[N@H+](C)Cc2cnc3nccn3c2)c1 ZINC000055413862 639364931 /nfs/dbraw/zinc/36/49/31/639364931.db2.gz WEECVNPVKQFYNL-CQSZACIVSA-N 1 0 295.390 2.496 10 0 CEAERO CC[C@H](COC)[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000157334873 639481598 /nfs/dbraw/zinc/48/15/98/639481598.db2.gz PAFVWQGAFOWICI-QWHCGFSZSA-N 1 0 286.416 2.258 10 0 CEAERO CO[C@H](c1noc(C[C@@H]([NH3+])C(C)(C)C)n1)C1CC1 ZINC000227333764 639585197 /nfs/dbraw/zinc/58/51/97/639585197.db2.gz RODXQXLTNSOSHL-KOLCDFICSA-N 1 0 253.346 2.083 10 0 CEAERO CC(C)c1ccc(NC(=O)C[N@@H+]2CC[C@H](CCO)C2)cc1 ZINC000227569496 639595653 /nfs/dbraw/zinc/59/56/53/639595653.db2.gz GWENTRAJJLVFEN-CQSZACIVSA-N 1 0 290.407 2.453 10 0 CEAERO [NH3+][C@@H]1CC[C@H](CNc2nccc(C(F)(F)F)n2)C1 ZINC000227646873 639599193 /nfs/dbraw/zinc/59/91/93/639599193.db2.gz NPYJHJNBRFRZFL-JGVFFNPUSA-N 1 0 260.263 2.035 10 0 CEAERO COCC(=O)N1CC[C@H](C2CC[NH+](CCC(C)C)CC2)C1 ZINC000169752289 639634674 /nfs/dbraw/zinc/63/46/74/639634674.db2.gz JPUCVKZHVRGUGD-INIZCTEOSA-N 1 0 296.455 2.239 10 0 CEAERO CCc1csc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000228551907 639642726 /nfs/dbraw/zinc/64/27/26/639642726.db2.gz YUDNIIJQGGLFCH-MVWJERBFSA-N 1 0 251.399 2.269 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1cccc2cccnc21 ZINC000061883741 639727609 /nfs/dbraw/zinc/72/76/09/639727609.db2.gz YXHZCNWGNFDWNN-TZMCWYRMSA-N 1 0 269.348 2.092 10 0 CEAERO CO[C@@H](c1nc(C[C@@H]2CCC[NH2+]C2)no1)c1ccccc1 ZINC000063084415 639821846 /nfs/dbraw/zinc/82/18/46/639821846.db2.gz LDQGCOKHTZWODA-SWLSCSKDSA-N 1 0 287.363 2.348 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cnc(Cl)cn1 ZINC000231283004 639845771 /nfs/dbraw/zinc/84/57/71/639845771.db2.gz CXRWCYOHMNFHSX-GFCCVEGCSA-N 1 0 268.792 2.046 10 0 CEAERO Cc1nn(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c(=S)s1 ZINC000153214172 640431347 /nfs/dbraw/zinc/43/13/47/640431347.db2.gz SOAGFZDNDYQTBG-ONGXEEELSA-N 1 0 284.454 2.109 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)nc(Cl)c2)C1 ZINC000180916368 641494589 /nfs/dbraw/zinc/49/45/89/641494589.db2.gz FACDEAMYCRVRQV-GFCCVEGCSA-N 1 0 281.787 2.258 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1c1nc(-c2ccc3nccnc3c2)no1 ZINC000070432490 641667318 /nfs/dbraw/zinc/66/73/18/641667318.db2.gz KOGWGTZHBUOLJF-MWLCHTKSSA-N 1 0 281.319 2.003 10 0 CEAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000123156875 648826646 /nfs/dbraw/zinc/82/66/46/648826646.db2.gz RWIYSSJVLZBFDB-WYUUTHIRSA-N 1 0 254.374 2.430 10 0 CEAERO CC(C)(C)OC(=O)N1CCOc2ccc(C[NH3+])cc2C1 ZINC000211299880 651570701 /nfs/dbraw/zinc/57/07/01/651570701.db2.gz BEBXKKFYHXJKGM-UHFFFAOYSA-N 1 0 278.352 2.275 10 0 CEAERO CCCCCC[C@@H](C)NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129632338 652055454 /nfs/dbraw/zinc/05/54/54/652055454.db2.gz FFZIIXHAVWABEO-CQSZACIVSA-N 1 0 283.460 2.145 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@H](C2(C[NH3+])CC2)C1 ZINC000214547891 652427321 /nfs/dbraw/zinc/42/73/21/652427321.db2.gz HRDJYOMKFATYKY-NSHDSACASA-N 1 0 254.374 2.372 10 0 CEAERO C[C@H](C[C@H]1COCCN1)[NH2+][C@@H](C)c1cccs1 ZINC000133468823 652630899 /nfs/dbraw/zinc/63/08/99/652630899.db2.gz DQMCXQPUTZIVAD-WOPDTQHZSA-N 1 0 254.399 2.166 10 0 CEAERO CCC(CC)(C[NH3+])NS(=O)(=O)/C=C\c1ccccc1 ZINC000216273004 652970361 /nfs/dbraw/zinc/97/03/61/652970361.db2.gz PWKJNFCGHMTFRN-KHPPLWFESA-N 1 0 282.409 2.094 10 0 CEAERO COC(=O)Nc1ccc(NC(=O)C[C@H]([NH3+])C(C)C)cc1 ZINC000136359186 653066681 /nfs/dbraw/zinc/06/66/81/653066681.db2.gz OJVOQRUKNLXRSS-LBPRGKRZSA-N 1 0 279.340 2.177 10 0 CEAERO CCC[NH2+][C@@H]1CCC[C@H]1S(=O)(=O)c1ccccc1OC ZINC000081987629 177913997 /nfs/dbraw/zinc/91/39/97/177913997.db2.gz MLSODJNGVVJDLV-TZMCWYRMSA-N 1 0 297.420 2.390 10 0 CEAERO [NH3+][C@@H](C[S@](=O)c1cccc(Br)c1)C1CC1 ZINC000081995101 177916037 /nfs/dbraw/zinc/91/60/37/177916037.db2.gz DPPWWWBZJCFPOC-XHDPSFHLSA-N 1 0 288.210 2.294 10 0 CEAERO [NH3+][C@@H](Cc1ccccc1)C(=O)n1cnc2ccccc21 ZINC000082261731 177934127 /nfs/dbraw/zinc/93/41/27/177934127.db2.gz HWCRUYPYGUPNFN-ZDUSSCGKSA-N 1 0 265.316 2.247 10 0 CEAERO C[N@@H+]1CCC[C@H]1CC(=O)Nc1ccc(F)c(F)c1 ZINC000082339226 177970174 /nfs/dbraw/zinc/97/01/74/177970174.db2.gz QWNDHBMOKMPRTO-JTQLQIEISA-N 1 0 254.280 2.388 10 0 CEAERO COCc1nc(-c2ccc(OC)c(OC)c2)sc1C[NH3+] ZINC000082446495 178023932 /nfs/dbraw/zinc/02/39/32/178023932.db2.gz WMNKRFQUBMXNAI-UHFFFAOYSA-N 1 0 294.376 2.432 10 0 CEAERO C[NH2+]Cc1sc(N2CCCC[C@@H]2C)nc1COC ZINC000082447160 178026143 /nfs/dbraw/zinc/02/61/43/178026143.db2.gz HSDNPLPMMXYWDF-JTQLQIEISA-N 1 0 269.414 2.388 10 0 CEAERO C[NH2+]Cc1sc(N2CCCCCC2)nc1COC ZINC000082447331 178027052 /nfs/dbraw/zinc/02/70/52/178027052.db2.gz BXZTVRGSICFKGF-UHFFFAOYSA-N 1 0 269.414 2.389 10 0 CEAERO CCO[C@H]1C[C@@H]([N@H+](C)CCCCO)C12CCCC2 ZINC000121185187 365532904 /nfs/dbraw/zinc/53/29/04/365532904.db2.gz GVRZMBXUDIGATN-KGLIPLIRSA-N 1 0 255.402 2.429 10 0 CEAERO C[C@@H](C[NH+]1CCCC1)Nc1ncc(Br)cn1 ZINC000082661967 178150164 /nfs/dbraw/zinc/15/01/64/178150164.db2.gz KOBILMBYVLUGFZ-VIFPVBQESA-N 1 0 285.189 2.135 10 0 CEAERO Cc1cc(Br)cn2c([C@@H](C)[NH3+])cnc12 ZINC000082693422 178187709 /nfs/dbraw/zinc/18/77/09/178187709.db2.gz QPPCQXMJQXOVTD-SSDOTTSWSA-N 1 0 254.131 2.425 10 0 CEAERO Cc1nn(C(=O)Nc2ccc(F)cc2)c2c1C[NH2+]CC2 ZINC000096028865 185067349 /nfs/dbraw/zinc/06/73/49/185067349.db2.gz HCVOVSWDQDHJSD-UHFFFAOYSA-N 1 0 274.299 2.057 10 0 CEAERO C[C@H]1CN(c2cc(Cl)nc(C3CC3)n2)C[C@@H]1[NH+](C)C ZINC000124728098 187150381 /nfs/dbraw/zinc/15/03/81/187150381.db2.gz MWFYFKSWQPSIKG-ONGXEEELSA-N 1 0 280.803 2.394 10 0 CEAERO Cc1cccc(C(N)=O)c1NCc1nccn1C(C)C ZINC000124721795 187150574 /nfs/dbraw/zinc/15/05/74/187150574.db2.gz XOWBSZZNYSKNIT-UHFFFAOYSA-N 1 0 272.352 2.483 10 0 CEAERO c1nn(Cc2ccccc2)cc1N1CC[C@]2(CC[NH2+]C2)C1 ZINC000082713950 178227209 /nfs/dbraw/zinc/22/72/09/178227209.db2.gz BIMFOLXLPRJATH-KRWDZBQOSA-N 1 0 282.391 2.121 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](c2nc3cc(Cl)ccc3[nH]2)C1 ZINC000034939067 361797965 /nfs/dbraw/zinc/79/79/65/361797965.db2.gz BHUOJUTVIWWRLN-LDYMZIIASA-N 1 0 251.717 2.266 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C)C(=O)NCc1ccco1 ZINC000034937110 361798059 /nfs/dbraw/zinc/79/80/59/361798059.db2.gz PJJYQHZDRCONKK-MBNYWOFBSA-N 1 0 264.369 2.453 10 0 CEAERO Cn1cc([C@H]([NH3+])c2ccc(F)cc2Br)cn1 ZINC000034957694 361800318 /nfs/dbraw/zinc/80/03/18/361800318.db2.gz SVXABXRIYBCCLP-NSHDSACASA-N 1 0 284.132 2.370 10 0 CEAERO Cn1cc([C@@H]([NH3+])c2cc(F)ccc2Br)cn1 ZINC000034957683 361800328 /nfs/dbraw/zinc/80/03/28/361800328.db2.gz ILBHGOJHEGZNHD-LLVKDONJSA-N 1 0 284.132 2.370 10 0 CEAERO FC(F)(F)c1ccc(CCN2CC[NH2+]CC2)cc1 ZINC000034529011 361791737 /nfs/dbraw/zinc/79/17/37/361791737.db2.gz NMQBNWKRKXJPNA-UHFFFAOYSA-N 1 0 258.287 2.153 10 0 CEAERO C[C@@H]1CN(Cc2csc(Cl)n2)C[C@@H]1[NH+](C)C ZINC000294962236 199271940 /nfs/dbraw/zinc/27/19/40/199271940.db2.gz NDEVNBOSJMLVQX-SCZZXKLOSA-N 1 0 259.806 2.178 10 0 CEAERO CC[C@@H]([NH3+])C[S@](=O)c1ccc(Br)cc1 ZINC000082747093 178268966 /nfs/dbraw/zinc/26/89/66/178268966.db2.gz KORDSCGLDXAACV-YMTOWFKASA-N 1 0 276.199 2.294 10 0 CEAERO [NH3+][C@@H](C[S@@](=O)c1ccc(Br)cc1)C1CC1 ZINC000082747115 178269335 /nfs/dbraw/zinc/26/93/35/178269335.db2.gz GXLRMDYVIUIWMR-NHYWBVRUSA-N 1 0 288.210 2.294 10 0 CEAERO C[C@H](C(=O)OC(C)(C)C)N(C)CC[C@@H]1CCC[N@@H+]1C ZINC000124947334 187162411 /nfs/dbraw/zinc/16/24/11/187162411.db2.gz IFBJSEARPCQUQG-OLZOCXBDSA-N 1 0 270.417 2.133 10 0 CEAERO C[C@H](C[NH3+])[C@H](O)c1cc(Br)ccc1F ZINC000083021726 178334273 /nfs/dbraw/zinc/33/42/73/178334273.db2.gz IJFXOEYERQKFSJ-LDWIPMOCSA-N 1 0 262.122 2.216 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cncc(Cl)c1 ZINC000621258082 349540694 /nfs/dbraw/zinc/54/06/94/349540694.db2.gz WXPOJTWAHYMCGS-SMDDNHRTSA-N 1 0 265.788 2.404 10 0 CEAERO CC[NH2+][C@@](C)(CO)CSc1ncccc1Cl ZINC000082905483 178329518 /nfs/dbraw/zinc/32/95/18/178329518.db2.gz NKBVDYGBRPFEKA-NSHDSACASA-N 1 0 260.790 2.188 10 0 CEAERO C[C@@](O)(C[NH3+])CCSc1ncccc1Br ZINC000082917612 178329623 /nfs/dbraw/zinc/32/96/23/178329623.db2.gz WQNNIYLJNOYDAX-JTQLQIEISA-N 1 0 291.214 2.036 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C)CN1CCc1ccccc1F ZINC000083383575 178386224 /nfs/dbraw/zinc/38/62/24/178386224.db2.gz LWWVYDCEPLHEQR-GXTWGEPZSA-N 1 0 250.361 2.441 10 0 CEAERO CC[C@@H]1CN(CCc2ccccc2F)[C@H](C)C[NH2+]1 ZINC000083383545 178386321 /nfs/dbraw/zinc/38/63/21/178386321.db2.gz SWJDSNCLCNXLTI-TZMCWYRMSA-N 1 0 250.361 2.441 10 0 CEAERO CC(C)COc1ccc(NC(=O)CSCC[NH3+])cc1 ZINC000096751702 185111650 /nfs/dbraw/zinc/11/16/50/185111650.db2.gz QAVSBJYUHILGRF-UHFFFAOYSA-N 1 0 282.409 2.352 10 0 CEAERO CC[C@@H](O)C[N@H+](CCCOC)Cc1cccc(OC)c1 ZINC000036100197 361828201 /nfs/dbraw/zinc/82/82/01/361828201.db2.gz WAZSSMASUBJIOP-OAHLLOKOSA-N 1 0 281.396 2.305 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@]2(CC[NH2+]C2)CC1 ZINC000096897253 185124851 /nfs/dbraw/zinc/12/48/51/185124851.db2.gz CGGXHYGLYWPCQL-AWEZNQCLSA-N 1 0 254.374 2.387 10 0 CEAERO CCOc1cc(F)ccc1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000037044066 361891777 /nfs/dbraw/zinc/89/17/77/361891777.db2.gz QDFSDDNOSDMXPJ-JTQLQIEISA-N 1 0 266.316 2.163 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)Nc1ccccc1N1CCCC1 ZINC000037016732 361884075 /nfs/dbraw/zinc/88/40/75/361884075.db2.gz YHCGTIXFZGBPDN-GFCCVEGCSA-N 1 0 261.369 2.353 10 0 CEAERO CC(C)([NH3+])C(=O)Cc1ccc(Br)cc1 ZINC000096957616 185141703 /nfs/dbraw/zinc/14/17/03/185141703.db2.gz RJXGGVBQSGAMHY-UHFFFAOYSA-N 1 0 256.143 2.298 10 0 CEAERO [NH3+]C[C@H](c1ccc2c(c1)OCCCO2)N1CCCCC1 ZINC000037675140 361920860 /nfs/dbraw/zinc/92/08/60/361920860.db2.gz ZTZWOYXQTOHXLS-CQSZACIVSA-N 1 0 276.380 2.334 10 0 CEAERO C[NH+]1CCC2(CC1)C[C@H](O)c1ccc(F)cc1O2 ZINC000097005902 185150742 /nfs/dbraw/zinc/15/07/42/185150742.db2.gz CWLCFRCWRLIGMF-LBPRGKRZSA-N 1 0 251.301 2.106 10 0 CEAERO C[N@@H+]1CC[C@]2(C1)C[C@@H](O)c1cc(Br)ccc1O2 ZINC000097004738 185150764 /nfs/dbraw/zinc/15/07/64/185150764.db2.gz CYXSQJHHFFYTMC-DGCLKSJQSA-N 1 0 298.180 2.339 10 0 CEAERO [NH3+][C@@H](c1cncn1Cc1cccs1)[C@H]1CCOC1 ZINC000097013769 185151572 /nfs/dbraw/zinc/15/15/72/185151572.db2.gz BPFRUYREPCJIJX-GXFFZTMASA-N 1 0 263.366 2.029 10 0 CEAERO CCn1c2ccccc2cc(C[NH2+]C[C@H]2CCCO2)c1=O ZINC000039287555 361987771 /nfs/dbraw/zinc/98/77/71/361987771.db2.gz CZCITERFAWWJER-OAHLLOKOSA-N 1 0 286.375 2.290 10 0 CEAERO CCC[NH2+]Cc1cc2cc(OC)c(OC)cc2n(C)c1=O ZINC000039288592 361987922 /nfs/dbraw/zinc/98/79/22/361987922.db2.gz FMMIYZAVGWCQJE-UHFFFAOYSA-N 1 0 290.363 2.055 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccnc(Cl)c1 ZINC000037991407 361973598 /nfs/dbraw/zinc/97/35/98/361973598.db2.gz CWNQZVUAWKJARK-GFCCVEGCSA-N 1 0 283.803 2.441 10 0 CEAERO CCC(CC)C[N@@H+]1CCC[C@H]([NH+](C)CC(=O)[O-])CC1 ZINC000263534670 282162998 /nfs/dbraw/zinc/16/29/98/282162998.db2.gz YOAJMPHJASNJKA-AWEZNQCLSA-N 1 0 270.417 2.294 10 0 CEAERO CC[C@@H](NC(=O)[C@H]([NH3+])CC(C)C)c1nccs1 ZINC000080269046 539172459 /nfs/dbraw/zinc/17/24/59/539172459.db2.gz XAHRVLJWUYRWNA-NXEZZACHSA-N 1 0 255.387 2.084 10 0 CEAERO C[C@@H](NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)C1CCCC1 ZINC000070307714 539173357 /nfs/dbraw/zinc/17/33/57/539173357.db2.gz WVCRJIFNWVRHEF-BXKDBHETSA-N 1 0 278.318 2.223 10 0 CEAERO C[C@@H](NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)C1CCCC1 ZINC000070307712 539173440 /nfs/dbraw/zinc/17/34/40/539173440.db2.gz WVCRJIFNWVRHEF-SKDRFNHKSA-N 1 0 278.318 2.223 10 0 CEAERO CCN1C[C@]2(C[C@H]2[NH3+])c2cc(Br)ccc21 ZINC000725247754 539192701 /nfs/dbraw/zinc/19/27/01/539192701.db2.gz XATMWTQASIIMGN-VXGBXAGGSA-N 1 0 267.170 2.258 10 0 CEAERO CC(C)CC(=O)N[C@H]1CC[NH2+]CC[C@@H]1C(F)(F)F ZINC000725262876 539212026 /nfs/dbraw/zinc/21/20/26/539212026.db2.gz QDHAGWJFTYIBBD-UWVGGRQHSA-N 1 0 266.307 2.079 10 0 CEAERO O=C(CC1CC1)N1CC[C@@H]2CC[C@@]21[C@H]1CCC[NH2+]C1 ZINC000725263415 539212072 /nfs/dbraw/zinc/21/20/72/539212072.db2.gz CVSDMEIKLYBZHR-DZKIICNBSA-N 1 0 262.397 2.167 10 0 CEAERO CC(C)[C@H](C)NC(=O)N1CC[C@@]2([NH3+])CCCC[C@@H]12 ZINC000725264192 539212850 /nfs/dbraw/zinc/21/28/50/539212850.db2.gz GFKMYXNSYVOKDI-SCRDCRAPSA-N 1 0 253.390 2.086 10 0 CEAERO COC12CCC(C(=O)OC(C)(C)C)(CC1)[C@@H]([NH3+])C2 ZINC000725265115 539213146 /nfs/dbraw/zinc/21/31/46/539213146.db2.gz GXNGANKOURDSAS-FNBIGBAISA-N 1 0 255.358 2.005 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+][C@@H]2CCC[C@@H](O)C2)c1C ZINC000218812706 539247844 /nfs/dbraw/zinc/24/78/44/539247844.db2.gz JMIWELCQXZFJIK-ZLKJLUDKSA-N 1 0 265.401 2.474 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2CCCc3occc32)C1 ZINC000170830511 282198178 /nfs/dbraw/zinc/19/81/78/282198178.db2.gz GELXDBKFDBJXQX-YPMHNXCESA-N 1 0 277.368 2.003 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC000247081736 282200202 /nfs/dbraw/zinc/20/02/02/282200202.db2.gz CZYPDUAQTVRFPF-UTUOFQBUSA-N 1 0 294.345 2.231 10 0 CEAERO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CN(CC)CCO2)cc1 ZINC000223622119 539268531 /nfs/dbraw/zinc/26/85/31/539268531.db2.gz QRVSMPBXIDQRJP-RHSMWYFYSA-N 1 0 292.423 2.457 10 0 CEAERO Cc1ccccc1[C@H](C)[NH2+]C[C@@H](O)COC(C)C ZINC000042203578 362068911 /nfs/dbraw/zinc/06/89/11/362068911.db2.gz CZPWPOVPQWXUAS-UONOGXRCSA-N 1 0 251.370 2.432 10 0 CEAERO C[C@@H]([NH2+]C[C@@H](O)Cn1cccn1)c1ccc(Cl)s1 ZINC000042587552 362104544 /nfs/dbraw/zinc/10/45/44/362104544.db2.gz MIFSPVBCBDUFOM-NXEZZACHSA-N 1 0 285.800 2.310 10 0 CEAERO C[N@@H+]1C[C@@H](CO)C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000000487953 343350543 /nfs/dbraw/zinc/35/05/43/343350543.db2.gz UFKTZIXVYHGAES-PSOPSSQASA-N 1 0 256.349 2.120 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)C2(c3ccccc3)CCC2)C1 ZINC000082287423 282260878 /nfs/dbraw/zinc/26/08/78/282260878.db2.gz GGXFOVZVIVJNES-HNNXBMFYSA-N 1 0 272.392 2.271 10 0 CEAERO COc1cc(OC)c(OC)cc1C[NH2+][C@H]1CCC[C@H](O)C1 ZINC000037164490 343426168 /nfs/dbraw/zinc/42/61/68/343426168.db2.gz DMWVXVNQGQQWRM-STQMWFEESA-N 1 0 295.379 2.106 10 0 CEAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3ccnc3)cc2)C1 ZINC000037321166 343426758 /nfs/dbraw/zinc/42/67/58/343426758.db2.gz IMQVRBTZYANTST-GDBMZVCRSA-N 1 0 271.364 2.265 10 0 CEAERO CCCCOC[C@@H](O)C[NH2+]CCc1cc(F)cc(F)c1 ZINC000227892164 539323462 /nfs/dbraw/zinc/32/34/62/539323462.db2.gz KYEISNLWPBDJRS-HNNXBMFYSA-N 1 0 287.350 2.275 10 0 CEAERO Nc1cc[nH+]cc1C(=O)NCc1ccc(Cl)s1 ZINC000127927487 187341540 /nfs/dbraw/zinc/34/15/40/187341540.db2.gz KXQBUIXJZKDNDR-UHFFFAOYSA-N 1 0 267.741 2.309 10 0 CEAERO O=C(NC1(c2ccc(F)cc2)CCC1)[C@H]1CCC[NH2+]C1 ZINC000082259618 539324768 /nfs/dbraw/zinc/32/47/68/539324768.db2.gz FPYSXMUCUCEBNB-LBPRGKRZSA-N 1 0 276.355 2.321 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)NCCc1c[nH]c2ccccc12 ZINC000054308817 343587468 /nfs/dbraw/zinc/58/74/68/343587468.db2.gz HDIQLQUMVIPUDZ-CYBMUJFWSA-N 1 0 285.391 2.216 10 0 CEAERO CC(C)COc1ccccc1OC[C@@H](O)C[NH2+]C(C)C ZINC000059391836 343652901 /nfs/dbraw/zinc/65/29/01/343652901.db2.gz LKTXCLRZWYCUKH-AWEZNQCLSA-N 1 0 281.396 2.459 10 0 CEAERO COc1cccc([C@H](CNC(=O)N[C@H]2C[C@H]2C)[NH+](C)C)c1 ZINC000076051960 343878082 /nfs/dbraw/zinc/87/80/82/343878082.db2.gz SWTVMLNNAKRLSS-UGFHNGPFSA-N 1 0 291.395 2.006 10 0 CEAERO CC(C)[C@H](C[NH3+])c1nc2cc(Br)cnc2[nH]1 ZINC000083602604 178612307 /nfs/dbraw/zinc/61/23/07/178612307.db2.gz CIELLGPSXRZSMX-QMMMGPOBSA-N 1 0 283.173 2.419 10 0 CEAERO Cc1cc(Nc2cnn(CC[NH+]3CCCCC3)c2)ncn1 ZINC000092978329 344209491 /nfs/dbraw/zinc/20/94/91/344209491.db2.gz KMKRTQYZHFGOPF-UHFFFAOYSA-N 1 0 286.383 2.211 10 0 CEAERO CCOC(C[NH3+])(OCC)c1ccnc(NC(C)C)c1 ZINC000114540864 344280445 /nfs/dbraw/zinc/28/04/45/344280445.db2.gz BMAYDZQORFPELM-UHFFFAOYSA-N 1 0 267.373 2.086 10 0 CEAERO C[C@]([NH3+])(CCO)c1cc(Br)c(F)cc1F ZINC000116129332 344285420 /nfs/dbraw/zinc/28/54/20/344285420.db2.gz RQSCZHOLHSHJQO-JTQLQIEISA-N 1 0 280.112 2.284 10 0 CEAERO [NH2+]=C1N[C@@H](c2ccc(NC(=O)c3ccccc3)cc2)CO1 ZINC000117020729 344287896 /nfs/dbraw/zinc/28/78/96/344287896.db2.gz OGGRNHXBMJAMJL-CQSZACIVSA-N 1 0 281.315 2.325 10 0 CEAERO CC(C)[C@H](C)NC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000127458866 344329899 /nfs/dbraw/zinc/32/98/99/344329899.db2.gz PTXLCRUCTFVOHP-KGLIPLIRSA-N 1 0 269.433 2.452 10 0 CEAERO [NH3+]CCN[C@H]1CCCc2sc(Br)cc21 ZINC000132277154 344362418 /nfs/dbraw/zinc/36/24/18/344362418.db2.gz PKFICMOPRJMTEI-QMMMGPOBSA-N 1 0 275.215 2.436 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]Cc2cc(C)ccc2C)C1 ZINC000134435546 344373899 /nfs/dbraw/zinc/37/38/99/344373899.db2.gz CKKZADXQCIMLFQ-INIZCTEOSA-N 1 0 262.397 2.114 10 0 CEAERO [NH3+]CCCNc1ccc(I)cc1 ZINC000135268121 344381098 /nfs/dbraw/zinc/38/10/98/344381098.db2.gz XFVDMDGAAUWWKZ-UHFFFAOYSA-N 1 0 276.121 2.052 10 0 CEAERO [NH3+]CC[C@](O)(COCc1ccccc1)c1ccccc1 ZINC000137329094 344388027 /nfs/dbraw/zinc/38/80/27/344388027.db2.gz YZFCZQOFFBKVMJ-KRWDZBQOSA-N 1 0 271.360 2.440 10 0 CEAERO NC(=O)c1ccccc1[C@H]1[NH2+]CCc2ccccc21 ZINC000165488105 344474290 /nfs/dbraw/zinc/47/42/90/344474290.db2.gz VAMDMRKHKPRFQT-HNNXBMFYSA-N 1 0 252.317 2.021 10 0 CEAERO CC(C)([NH3+])C(=O)Cc1ccc(F)cc1Br ZINC000168662511 344480805 /nfs/dbraw/zinc/48/08/05/344480805.db2.gz CFWVXVUMCNPFOJ-UHFFFAOYSA-N 1 0 274.133 2.437 10 0 CEAERO C[N@H+](CCCO)C[C@H](O)C(c1ccccc1)c1ccccc1 ZINC000169322441 344481830 /nfs/dbraw/zinc/48/18/30/344481830.db2.gz WOGSKGRPHLDNLO-SFHVURJKSA-N 1 0 299.414 2.494 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)COc2cccc3ccccc32)C1 ZINC000170861776 344491668 /nfs/dbraw/zinc/49/16/68/344491668.db2.gz IVCFKNOEVUAHIE-HNNXBMFYSA-N 1 0 298.386 2.381 10 0 CEAERO Cc1cccc(CCC(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000170857070 344491676 /nfs/dbraw/zinc/49/16/76/344491676.db2.gz SFHMZNTYQWHRHD-OAHLLOKOSA-N 1 0 260.381 2.090 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)NCCc1ccc(Cl)s1 ZINC000226422449 344549497 /nfs/dbraw/zinc/54/94/97/344549497.db2.gz PCYKTZNZKLIXOY-JTQLQIEISA-N 1 0 286.828 2.450 10 0 CEAERO CCC[C@@H]1C[C@@H]1NC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000226379780 344549847 /nfs/dbraw/zinc/54/98/47/344549847.db2.gz UHEKDEAUBOUZRT-VHDGCEQUSA-N 1 0 258.365 2.178 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](C(=O)N2CCC[C@H](C(C)(C)C)CC2)C1 ZINC000226983820 344551344 /nfs/dbraw/zinc/55/13/44/344551344.db2.gz NJGBBAZOZOWMAM-BFHYXJOUSA-N 1 0 282.428 2.038 10 0 CEAERO CCCCOC[C@H](O)C[NH+]1CCc2ccccc2CC1 ZINC000227907198 344557438 /nfs/dbraw/zinc/55/74/38/344557438.db2.gz PDNAIIZHMOKYTB-QGZVFWFLSA-N 1 0 277.408 2.265 10 0 CEAERO CCCCOC[C@H](O)C[NH2+]CCc1ccc(F)cc1C ZINC000227894492 344557505 /nfs/dbraw/zinc/55/75/05/344557505.db2.gz JOUXIBOXFXJOMU-MRXNPFEDSA-N 1 0 283.387 2.444 10 0 CEAERO COC[C@@H]([NH3+])c1ccc(F)c(F)c1Br ZINC000229826655 344569111 /nfs/dbraw/zinc/56/91/11/344569111.db2.gz ASLUBBLJXSQXGP-SSDOTTSWSA-N 1 0 266.085 2.374 10 0 CEAERO O[C@H](c1cscc1Br)[C@@H]1CCC[NH2+]1 ZINC000236548389 344595835 /nfs/dbraw/zinc/59/58/35/344595835.db2.gz OMDUUPMDFPQPDG-DTWKUNHWSA-N 1 0 262.172 2.296 10 0 CEAERO CCC1(CNC(=O)C[C@@H]2CCC[NH2+]C2)CCCC1 ZINC000232987729 344580554 /nfs/dbraw/zinc/58/05/54/344580554.db2.gz GONGXSFKFOEBDM-ZDUSSCGKSA-N 1 0 252.402 2.463 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCCNC1=O)c1ccc(F)c(Cl)c1 ZINC000050394795 362418276 /nfs/dbraw/zinc/41/82/76/362418276.db2.gz ZGFJRKOBASEOJQ-PRHODGIISA-N 1 0 270.735 2.408 10 0 CEAERO COc1ccc(C[N@@H+]2CCC[C@@H]2CCCO)cc1OC ZINC000052762143 362473932 /nfs/dbraw/zinc/47/39/32/362473932.db2.gz BWQBSDCBKUGHQB-CQSZACIVSA-N 1 0 279.380 2.441 10 0 CEAERO Cc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@@H]1CCCO ZINC000052762891 362474149 /nfs/dbraw/zinc/47/41/49/362474149.db2.gz CFHCSSSZHXAUIK-OAHLLOKOSA-N 1 0 290.407 2.479 10 0 CEAERO O=C(CC[N@H+]1CCC[C@H]1CCCO)Nc1cccc(F)c1 ZINC000052762200 362474210 /nfs/dbraw/zinc/47/42/10/362474210.db2.gz ABKDVLYUMLWRSY-HNNXBMFYSA-N 1 0 294.370 2.391 10 0 CEAERO CC(C)CN(CC(C)C)C(=O)C[N@@H+]1CCC[C@@H]1CCCO ZINC000052761937 362474260 /nfs/dbraw/zinc/47/42/60/362474260.db2.gz MOUDVGRMDVHYLA-MRXNPFEDSA-N 1 0 298.471 2.364 10 0 CEAERO [NH3+][C@@H](CF)c1cc(I)ccc1F ZINC000238573179 344606747 /nfs/dbraw/zinc/60/67/47/344606747.db2.gz APAOJPBQVVOKJI-QMMMGPOBSA-N 1 0 283.059 2.400 10 0 CEAERO C[C@@H]1CC[C@H](NC(=O)[C@H]2CCC[NH2+]2)c2ccccc21 ZINC000262517014 344654793 /nfs/dbraw/zinc/65/47/93/344654793.db2.gz CWXUFPYYGUMPJY-BYCMXARLSA-N 1 0 258.365 2.493 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@H](C)c2cc(F)ccc2F)C1 ZINC000252968198 344643106 /nfs/dbraw/zinc/64/31/06/344643106.db2.gz UYLKLBHGTUVDSM-DGCLKSJQSA-N 1 0 284.350 2.336 10 0 CEAERO [NH3+]C[C@@H]1C[C@@H]1c1ccc(I)cc1 ZINC000307336268 344722020 /nfs/dbraw/zinc/72/20/20/344722020.db2.gz HFNIKUAYDHNWDS-WCBMZHEXSA-N 1 0 273.117 2.353 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(Cc3cc4c(c(Cl)c3)OCO4)C[C@H]12 ZINC000312737344 344739782 /nfs/dbraw/zinc/73/97/82/344739782.db2.gz UOVFXAOYHPSRCN-NTZNESFSSA-N 1 0 294.782 2.238 10 0 CEAERO CCC(C)(C)[N@H+](C)Cc1ncccc1C(=O)OC ZINC000306020937 344711759 /nfs/dbraw/zinc/71/17/59/344711759.db2.gz YJPDJFXCHDLGAW-UHFFFAOYSA-N 1 0 250.342 2.489 10 0 CEAERO CC[NH+]1CCN(Cc2coc(Br)c2)CC1 ZINC000306667190 344716169 /nfs/dbraw/zinc/71/61/69/344716169.db2.gz JPROKJQLCLQUET-UHFFFAOYSA-N 1 0 273.174 2.180 10 0 CEAERO C[N@H+](CC1CC1)C[C@@H]1CN(Cc2cccs2)CCO1 ZINC000328633232 344757539 /nfs/dbraw/zinc/75/75/39/344757539.db2.gz LXABDPWSCUUSCP-CQSZACIVSA-N 1 0 280.437 2.291 10 0 CEAERO Nc1ccc(N[C@@H]2CCC[N@H+](Cc3ccncc3)CC2)cn1 ZINC000328625300 344756102 /nfs/dbraw/zinc/75/61/02/344756102.db2.gz CYJPPMGBSGATPD-OAHLLOKOSA-N 1 0 297.406 2.356 10 0 CEAERO CCCn1cc(CN(C[C@H]2CCC[NH2+]2)C2CC2)cn1 ZINC000328626030 344756508 /nfs/dbraw/zinc/75/65/08/344756508.db2.gz DSONXGYZTLAGQM-CQSZACIVSA-N 1 0 262.401 2.010 10 0 CEAERO [NH3+]Cc1ccc(CNc2ccnc3cccnc32)cc1 ZINC000379164081 344820600 /nfs/dbraw/zinc/82/06/00/344820600.db2.gz LHZHXUKGIZFGOB-UHFFFAOYSA-N 1 0 264.332 2.123 10 0 CEAERO OCCN1CCC[C@@H]([NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC000384687545 344829096 /nfs/dbraw/zinc/82/90/96/344829096.db2.gz HUBPURWVOZNGHM-GFCCVEGCSA-N 1 0 286.778 2.025 10 0 CEAERO O=[N+]([O-])c1cc(Cl)ccc1NC1CC[NH+](CCO)CC1 ZINC000398989582 344856225 /nfs/dbraw/zinc/85/62/25/344856225.db2.gz JOQDHXOKARYAJP-UHFFFAOYSA-N 1 0 299.758 2.117 10 0 CEAERO C[C@H]1CC[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C[NH2+]1 ZINC000398958919 344856416 /nfs/dbraw/zinc/85/64/16/344856416.db2.gz KRRLGHKYPLHIGT-WPRPVWTQSA-N 1 0 253.277 2.286 10 0 CEAERO CCCCN(C[C@@H](O)C[NH2+]C1CC1)c1ccccc1 ZINC000083927388 178765207 /nfs/dbraw/zinc/76/52/07/178765207.db2.gz VGYGBJXGYCITBE-INIZCTEOSA-N 1 0 262.397 2.406 10 0 CEAERO CC(C)[C@@H]1CC[C@@H]([NH3+])[C@H](Sc2n[nH]c(=O)n2C2CC2)C1 ZINC000083966828 178767652 /nfs/dbraw/zinc/76/76/52/178767652.db2.gz HNMOTSGKEKBZMZ-YUSALJHKSA-N 1 0 296.440 2.150 10 0 CEAERO COc1ccc([S@@](=O)[C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000084002438 178770047 /nfs/dbraw/zinc/77/00/47/178770047.db2.gz POEGJAWJNVWVER-IYOUNJFTSA-N 1 0 267.394 2.463 10 0 CEAERO C[NH2+][C@H](C[S@@](=O)c1ccc(OC)cc1)C(C)(C)C ZINC000084002315 178770053 /nfs/dbraw/zinc/77/00/53/178770053.db2.gz SJPQBMYVTSIYRQ-ACJLOTCBSA-N 1 0 269.410 2.437 10 0 CEAERO CCCC[S@@](=O)C[C@@H]([NH3+])c1cc(OC)ccc1OC ZINC000084038764 178776809 /nfs/dbraw/zinc/77/68/09/178776809.db2.gz XGOMONBSSJMKMH-YJYMSZOUSA-N 1 0 285.409 2.252 10 0 CEAERO CC[NH2+]CCC1=N[C@@H](c2ccc(OC)cc2)N(CC)O1 ZINC000584613735 344965145 /nfs/dbraw/zinc/96/51/45/344965145.db2.gz GPTNTUZETQOTGK-OAHLLOKOSA-N 1 0 277.368 2.359 10 0 CEAERO CCOc1ccc(C(=O)[C@@H](C)N2CCC[N@H+](C)CC2)cc1 ZINC000584621230 344967033 /nfs/dbraw/zinc/96/70/33/344967033.db2.gz VUERMKNDHRKGCV-CQSZACIVSA-N 1 0 290.407 2.294 10 0 CEAERO [NH3+]CCCc1nnc(-c2ccc(Cl)cn2)s1 ZINC000084117141 178796187 /nfs/dbraw/zinc/79/61/87/178796187.db2.gz FNJDVTAFOMLEIH-UHFFFAOYSA-N 1 0 254.746 2.145 10 0 CEAERO COCCCNC(=O)[C@@H](C)Sc1cccc([C@H](C)[NH3+])c1 ZINC000084123270 178797981 /nfs/dbraw/zinc/79/79/81/178797981.db2.gz GEGNTKXQJSXBFG-NWDGAFQWSA-N 1 0 296.436 2.340 10 0 CEAERO [NH3+]C1(Cc2nc(Cc3ccncc3)no2)CCCCC1 ZINC000084144720 178801557 /nfs/dbraw/zinc/80/15/57/178801557.db2.gz PMZZONVBMRVUIG-UHFFFAOYSA-N 1 0 272.352 2.260 10 0 CEAERO CN(CCOc1ccccc1)C(=O)CC1([NH3+])CCCC1 ZINC000084169706 178813400 /nfs/dbraw/zinc/81/34/00/178813400.db2.gz VVJLJUGESHFPFD-UHFFFAOYSA-N 1 0 276.380 2.185 10 0 CEAERO COc1ccc(NC(=O)C[C@H]2CCC[NH2+]C2)c(OC)c1 ZINC000054290046 362521439 /nfs/dbraw/zinc/52/14/39/362521439.db2.gz XNAGMDFGAQAUJS-LLVKDONJSA-N 1 0 278.352 2.032 10 0 CEAERO Cc1ccc(CN(C)C(=O)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000054290589 362521627 /nfs/dbraw/zinc/52/16/27/362521627.db2.gz DTJHUNQCEKSIHU-HNNXBMFYSA-N 1 0 260.381 2.343 10 0 CEAERO C[NH2+][C@H](C)C(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000054074916 362510375 /nfs/dbraw/zinc/51/03/75/362510375.db2.gz QKMCQQPAQFAGBJ-RKDXNWHRSA-N 1 0 256.296 2.092 10 0 CEAERO C[NH2+][C@H](C)C(=O)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000054075016 362510518 /nfs/dbraw/zinc/51/05/18/362510518.db2.gz ZIPZVJLJTWUFHR-SNVBAGLBSA-N 1 0 266.772 2.439 10 0 CEAERO COc1ccccc1[C@@H](C)N(C)C(=O)CC(C)(C)[NH3+] ZINC000084181456 178816368 /nfs/dbraw/zinc/81/63/68/178816368.db2.gz SMEYCANRLUAOAH-LLVKDONJSA-N 1 0 264.369 2.342 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)N1CCC[C@@H]1c1cccnc1 ZINC000054306171 362525263 /nfs/dbraw/zinc/52/52/63/362525263.db2.gz HZRJUQAMBBYOCO-UKRRQHHQSA-N 1 0 273.380 2.135 10 0 CEAERO CCOCCC[C@H]([NH3+])c1ccc2c(c1)OCCO2 ZINC000097077893 185521766 /nfs/dbraw/zinc/52/17/66/185521766.db2.gz RCARUNRZHSKFFV-LBPRGKRZSA-N 1 0 251.326 2.274 10 0 CEAERO Cc1nn(C)c(CCC[C@@H](C)[NH3+])c1Br ZINC000084276669 178840565 /nfs/dbraw/zinc/84/05/65/178840565.db2.gz UXYYVPAQIDAIOY-SSDOTTSWSA-N 1 0 260.179 2.161 10 0 CEAERO CCCN[C@](C)(C[C@@H](C)[N@H+](C)C(C)C)C(=O)OC ZINC000084301670 178850068 /nfs/dbraw/zinc/85/00/68/178850068.db2.gz JGCOLEXTMPXNQH-TZMCWYRMSA-N 1 0 258.406 2.037 10 0 CEAERO CCC[NH2+][C@](C)(C[C@@H](C)[N@H+](C)C[C@@H]1C[C@@H]1C)C(=O)[O-] ZINC000084359851 178869329 /nfs/dbraw/zinc/86/93/29/178869329.db2.gz MUJIPLDJFGZLSW-SFDCQRBFSA-N 1 0 270.417 2.196 10 0 CEAERO C[NH+](C)C[C@@H](NC(=O)C1=COCCC1)c1ccccc1 ZINC000107437898 232196236 /nfs/dbraw/zinc/19/62/36/232196236.db2.gz AGQQTWCKKVEJJO-OAHLLOKOSA-N 1 0 274.364 2.100 10 0 CEAERO C[NH2+][C@@H](c1cnns1)c1cccc2cnccc21 ZINC000097124393 185541333 /nfs/dbraw/zinc/54/13/33/185541333.db2.gz OWDJPTHMKXABLJ-CYBMUJFWSA-N 1 0 256.334 2.395 10 0 CEAERO Cc1ccccc1CS(=O)(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000084430367 178885986 /nfs/dbraw/zinc/88/59/86/178885986.db2.gz JYDVXYHFGSPFHW-KGLIPLIRSA-N 1 0 267.394 2.180 10 0 CEAERO CCC[NH2+][C@H]1CC[C@@H](S(=O)(=O)c2cccc(OC)c2)C1 ZINC000084433261 178887260 /nfs/dbraw/zinc/88/72/60/178887260.db2.gz DUGKVFYNEAWNRH-SWLSCSKDSA-N 1 0 297.420 2.390 10 0 CEAERO [NH3+]CCC[C@@H]1CCCN1C(=O)c1ccc(F)cc1 ZINC000084585249 178900599 /nfs/dbraw/zinc/90/05/99/178900599.db2.gz WTFFOCMCKKOMSC-CYBMUJFWSA-N 1 0 250.317 2.169 10 0 CEAERO CC[NH2+][C@@H](c1cc(CC)nn1CC)[C@@H]1CCOC1 ZINC000097181651 185557858 /nfs/dbraw/zinc/55/78/58/185557858.db2.gz ROPAFAUAKGAXCK-BXUZGUMPSA-N 1 0 251.374 2.153 10 0 CEAERO COC[C@@H](C)[NH2+]Cc1ccc(O)c(Br)c1 ZINC000057942683 362602471 /nfs/dbraw/zinc/60/24/71/362602471.db2.gz CBWJFYRMDKAIJD-MRVPVSSYSA-N 1 0 274.158 2.279 10 0 CEAERO CC[C@@H](C)n1ccc(C[C@H]([NH3+])Cc2c(C)nn(C)c2C)n1 ZINC000097225073 185568365 /nfs/dbraw/zinc/56/83/65/185568365.db2.gz FREUKSYPDCDVBQ-RISCZKNCSA-N 1 0 289.427 2.317 10 0 CEAERO CC[NH2+][C@H](CCOCC)Cc1c(Cl)c(C)nn1C ZINC000097274085 185575479 /nfs/dbraw/zinc/57/54/79/185575479.db2.gz AXQCPPQLLZAWPK-LLVKDONJSA-N 1 0 273.808 2.329 10 0 CEAERO CC[NH2+][C@H](Cc1ncnn1CC)c1cccc(N(C)C)c1 ZINC000097280483 185579294 /nfs/dbraw/zinc/57/92/94/185579294.db2.gz GZOZUQRTIQRHKO-OAHLLOKOSA-N 1 0 287.411 2.257 10 0 CEAERO Cn1c(C[C@H]([NH3+])[C@H]2CCSC2)nc2ccccc21 ZINC000097303460 185581005 /nfs/dbraw/zinc/58/10/05/185581005.db2.gz FOCMVTQMQMURCJ-QWRGUYRKSA-N 1 0 261.394 2.196 10 0 CEAERO C[NH2+][C@H](Cc1cc(C)nn1C)[C@]1(C)CCCS1 ZINC000097273431 185575811 /nfs/dbraw/zinc/57/58/11/185575811.db2.gz BXHKTNBDUJGYQO-OLZOCXBDSA-N 1 0 253.415 2.145 10 0 CEAERO CCC[NH2+][C@H](Cc1ncnn1C)c1snnc1C(C)C ZINC000097275419 185576976 /nfs/dbraw/zinc/57/69/76/185576976.db2.gz PBNRWCDZEZVOFK-SNVBAGLBSA-N 1 0 294.428 2.073 10 0 CEAERO CC[NH2+][C@@H](Cc1ncnn1C)c1ccc(C(F)(F)F)cn1 ZINC000097275478 185577192 /nfs/dbraw/zinc/57/71/92/185577192.db2.gz KQYSKAGGZMMRRK-NSHDSACASA-N 1 0 299.300 2.122 10 0 CEAERO CCn1nc(C)cc1C[C@@H]([NH3+])CCc1c(C)nn(C)c1C ZINC000097281623 185578626 /nfs/dbraw/zinc/57/86/26/185578626.db2.gz FPYZQTULXNWYNF-AWEZNQCLSA-N 1 0 289.427 2.064 10 0 CEAERO C[C@H](C(=O)N(C)C)n1c(N)[nH+]c2cc(Cl)c(F)cc21 ZINC000097364391 185589897 /nfs/dbraw/zinc/58/98/97/185589897.db2.gz ZZQJUJBKYATERO-ZCFIWIBFSA-N 1 0 284.722 2.060 10 0 CEAERO CCn1nccc1C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000128251533 187360283 /nfs/dbraw/zinc/36/02/83/187360283.db2.gz ISZLEJGPXABIGG-AWEZNQCLSA-N 1 0 285.395 2.232 10 0 CEAERO C[NH2+][C@@H](C[C@@H]1CCS(=O)(=O)C1)c1cc(C)cc(F)c1 ZINC000097337854 185587496 /nfs/dbraw/zinc/58/74/96/185587496.db2.gz LAIQEMLWJGAKEQ-FZMZJTMJSA-N 1 0 285.384 2.219 10 0 CEAERO C[NH2+][C@H](Cc1c(C)cccc1C)C[C@@H]1CCS(=O)(=O)C1 ZINC000097352136 185588375 /nfs/dbraw/zinc/58/83/75/185588375.db2.gz YZFJKPJAGIHMRA-GJZGRUSLSA-N 1 0 295.448 2.259 10 0 CEAERO C[NH2+][C@H](Cc1cccnc1)Cn1cnc2ccccc21 ZINC000097390742 185597418 /nfs/dbraw/zinc/59/74/18/185597418.db2.gz YNIAVCIJOOXCEB-CQSZACIVSA-N 1 0 266.348 2.262 10 0 CEAERO CCn1c(C[NH2+][C@@H]2CCO[C@H]2C)nc2ccccc21 ZINC000149475954 539501497 /nfs/dbraw/zinc/50/14/97/539501497.db2.gz GJXRFUHGKYGIIM-NWDGAFQWSA-N 1 0 259.353 2.323 10 0 CEAERO Cn1ccc(C[C@H]([NH3+])c2ccnc3ccccc32)n1 ZINC000097380426 185594267 /nfs/dbraw/zinc/59/42/67/185594267.db2.gz OXDXZMDFIDXDEB-AWEZNQCLSA-N 1 0 252.321 2.211 10 0 CEAERO O[C@@H](C[NH2+]C1CC1)Cc1cc(F)ccc1Br ZINC000084994122 178941404 /nfs/dbraw/zinc/94/14/04/178941404.db2.gz BEDPLKFGPSSPCI-LLVKDONJSA-N 1 0 288.160 2.244 10 0 CEAERO Cn1ccc(C[C@@H]([NH3+])c2ccnc3ccccc32)n1 ZINC000097380427 185594636 /nfs/dbraw/zinc/59/46/36/185594636.db2.gz OXDXZMDFIDXDEB-CQSZACIVSA-N 1 0 252.321 2.211 10 0 CEAERO CC[C@@H]([NH3+])[C@](C)(CC(=O)OC)c1cccc(F)c1 ZINC000097431985 185602600 /nfs/dbraw/zinc/60/26/00/185602600.db2.gz ISYQFWJPGSCSEG-TZMCWYRMSA-N 1 0 253.317 2.384 10 0 CEAERO COc1ccc([C@](C)(CCO)C(C)(C)[NH3+])cc1OC ZINC000097434715 185603004 /nfs/dbraw/zinc/60/30/04/185603004.db2.gz PNWZWIOLDLVYQK-HNNXBMFYSA-N 1 0 267.369 2.081 10 0 CEAERO COC(=O)C[C@@H](c1ccc2c(c1)OCCCO2)C(C)(C)[NH3+] ZINC000097433896 185603005 /nfs/dbraw/zinc/60/30/05/185603005.db2.gz KOGVMSAPRHGBDR-LBPRGKRZSA-N 1 0 293.363 2.232 10 0 CEAERO COC(=O)C[C@H](c1ccc(OC)c(OC)c1)C(C)(C)[NH3+] ZINC000097433564 185603055 /nfs/dbraw/zinc/60/30/55/185603055.db2.gz XCKSGBRDOVIDKD-LLVKDONJSA-N 1 0 281.352 2.088 10 0 CEAERO O[C@H](CNc1ccc2ccccc2n1)C[NH+]1CCCCC1 ZINC000174684381 232296965 /nfs/dbraw/zinc/29/69/65/232296965.db2.gz CAADNQMEPIHRHM-OAHLLOKOSA-N 1 0 285.391 2.494 10 0 CEAERO C[NH2+][C@@H](COC(C)(C)C)c1cnnn1-c1ccccc1 ZINC000097423495 185600607 /nfs/dbraw/zinc/60/06/07/185600607.db2.gz IXSUVGRFWYYWBH-ZDUSSCGKSA-N 1 0 274.368 2.343 10 0 CEAERO CC[NH2+][C@@H](CCc1nccn1C)COC(C)(C)C ZINC000097451750 185608888 /nfs/dbraw/zinc/60/88/88/185608888.db2.gz YHAAQYXNGFSUFY-LBPRGKRZSA-N 1 0 253.390 2.146 10 0 CEAERO Clc1cnccc1CN(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000310599563 201873786 /nfs/dbraw/zinc/87/37/86/201873786.db2.gz APXOMWDMLWXOGT-GFCCVEGCSA-N 1 0 265.788 2.451 10 0 CEAERO [NH3+]CC1CCC(C(=O)Nc2ccnc(Cl)c2)CC1 ZINC000097467132 185611716 /nfs/dbraw/zinc/61/17/16/185611716.db2.gz SLIBCPNNDYHROO-UHFFFAOYSA-N 1 0 267.760 2.439 10 0 CEAERO [NH3+]CC1CCC(C(=O)NCC2CCSCC2)CC1 ZINC000097467509 185612121 /nfs/dbraw/zinc/61/21/21/185612121.db2.gz WAKMSVXNHCJCJY-UHFFFAOYSA-N 1 0 270.442 2.011 10 0 CEAERO Cc1nc(C[C@H]([NH3+])Cc2ccn(C(C)C)n2)cs1 ZINC000085170029 178961428 /nfs/dbraw/zinc/96/14/28/178961428.db2.gz YVHBCJOWONZGKU-LLVKDONJSA-N 1 0 264.398 2.341 10 0 CEAERO CCN(C[C@@H](CO)[NH2+]C(C)C)c1cccc(F)c1 ZINC000085242028 178983428 /nfs/dbraw/zinc/98/34/28/178983428.db2.gz GAQGBSKHULERRM-ZDUSSCGKSA-N 1 0 254.349 2.011 10 0 CEAERO CCC[NH2+][C@@H](CO)CCN(CC)c1ccc(F)cc1 ZINC000085214409 178978910 /nfs/dbraw/zinc/97/89/10/178978910.db2.gz MSDDVQAHLBXMHR-CQSZACIVSA-N 1 0 268.376 2.403 10 0 CEAERO Cc1cc(N2CC[N@@H+]3CCC[C@@H]3C2)c([C@H](C)O)cc1F ZINC000094769632 136514915 /nfs/dbraw/zinc/51/49/15/136514915.db2.gz UNINNDAKBAKFNQ-QWHCGFSZSA-N 1 0 278.371 2.472 10 0 CEAERO CCCO[C@@H]1CCCN(c2cc([C@H](C)[NH3+])ccn2)C1 ZINC000094998945 136515228 /nfs/dbraw/zinc/51/52/28/136515228.db2.gz APPFKSLPSKAURE-GXTWGEPZSA-N 1 0 263.385 2.497 10 0 CEAERO CC(C)([C@@H](CC[C@@H]1CCCO1)NN)[NH+]1CCCCCC1 ZINC000097582518 185630442 /nfs/dbraw/zinc/63/04/42/185630442.db2.gz VFVHGJJXGXMFMY-LSDHHAIUSA-N 1 0 283.460 2.432 10 0 CEAERO CC[C@](C)([C@@H](NN)[C@@H]1CC(C)(C)OC1(C)C)[NH+](C)C ZINC000097583276 185630674 /nfs/dbraw/zinc/63/06/74/185630674.db2.gz LKYRWVIPNSKVGT-SLEUVZQESA-N 1 0 271.449 2.142 10 0 CEAERO CCC(CC)([C@H](CC[C@H]1CCCO1)NN)[NH+]1CCCC1 ZINC000097587177 185632730 /nfs/dbraw/zinc/63/27/30/185632730.db2.gz BTKOBKOSTMYBJG-CABCVRRESA-N 1 0 283.460 2.432 10 0 CEAERO C[NH2+][C@@H](CO)CCOc1ccccc1C(C)(C)C ZINC000085283306 179000662 /nfs/dbraw/zinc/00/06/62/179000662.db2.gz VFVPGPMYNXIEFG-GFCCVEGCSA-N 1 0 251.370 2.333 10 0 CEAERO CCOc1ccccc1O[C@@H](C)C[C@@](C)(CO)[NH2+]C ZINC000085283743 179001401 /nfs/dbraw/zinc/00/14/01/179001401.db2.gz FCVZGYFKLDMLHD-WFASDCNBSA-N 1 0 267.369 2.213 10 0 CEAERO CCOc1ccc(OCCC[C@](C)(CO)[NH2+]C)cc1 ZINC000085283378 179001410 /nfs/dbraw/zinc/00/14/10/179001410.db2.gz AHQODSMEHCKCHD-OAHLLOKOSA-N 1 0 267.369 2.215 10 0 CEAERO CCOc1ccccc1OCCC[C@](C)(CO)[NH2+]C ZINC000085283781 179001634 /nfs/dbraw/zinc/00/16/34/179001634.db2.gz DEZHNMJXTBAEAK-OAHLLOKOSA-N 1 0 267.369 2.215 10 0 CEAERO CCC[NH2+][C@@](C)(CO)COc1ccccc1OCC ZINC000085283791 179001689 /nfs/dbraw/zinc/00/16/89/179001689.db2.gz FDBQDJSPHVLOOZ-HNNXBMFYSA-N 1 0 267.369 2.215 10 0 CEAERO C[NH2+][C@](C)(CO)COc1cc(C)ccc1C(C)C ZINC000085284193 179002348 /nfs/dbraw/zinc/00/23/48/179002348.db2.gz DMXVUULMIGSHQU-OAHLLOKOSA-N 1 0 251.370 2.468 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)COc1cc(F)cc(F)c1 ZINC000085265179 178995594 /nfs/dbraw/zinc/99/55/94/178995594.db2.gz QCRMTSGSCUZQNA-CYBMUJFWSA-N 1 0 259.296 2.093 10 0 CEAERO CCCCOCCO[C@H](C)C[C@](C)(CO)[NH2+]C(C)C ZINC000085267911 178997487 /nfs/dbraw/zinc/99/74/87/178997487.db2.gz GYWLBZBDOUEVLT-HUUCEWRRSA-N 1 0 275.433 2.347 10 0 CEAERO CC[NH+](CC)CC[C@@H](Cc1ccn(C2CCCC2)n1)NN ZINC000097591794 185634848 /nfs/dbraw/zinc/63/48/48/185634848.db2.gz QKYBYIWQGLUAJF-AWEZNQCLSA-N 1 0 293.459 2.105 10 0 CEAERO CC[NH2+][C@@](CO)(COC1CCCC1)c1ccccc1 ZINC000085282734 178999964 /nfs/dbraw/zinc/99/99/64/178999964.db2.gz LUDWJWCQQCUGRE-INIZCTEOSA-N 1 0 263.381 2.443 10 0 CEAERO C[NH2+][C@](C)(CO)CCCCOc1ccc(OC)cc1 ZINC000085285668 179003573 /nfs/dbraw/zinc/00/35/73/179003573.db2.gz LJZBBFOHADVIMH-HNNXBMFYSA-N 1 0 267.369 2.215 10 0 CEAERO Cc1cc(C)c(C)c(O[C@@H](C)C[C@](C)([NH3+])CO)c1 ZINC000085286061 179003861 /nfs/dbraw/zinc/00/38/61/179003861.db2.gz JBQPEIMCEMWJAC-WFASDCNBSA-N 1 0 251.370 2.479 10 0 CEAERO CC[NH2+][C@](C)(CO)CCOc1ccccc1CC ZINC000085286446 179003959 /nfs/dbraw/zinc/00/39/59/179003959.db2.gz PFVWCGNBJZEOJF-HNNXBMFYSA-N 1 0 251.370 2.378 10 0 CEAERO CCC[NH2+][C@](CO)(COCCC)c1ccccc1 ZINC000085286605 179004218 /nfs/dbraw/zinc/00/42/18/179004218.db2.gz HUNHNFBYKYBPFO-OAHLLOKOSA-N 1 0 251.370 2.300 10 0 CEAERO COCCCSCCC[C@](C)(CO)[NH2+]C1CC1 ZINC000085289974 179005772 /nfs/dbraw/zinc/00/57/72/179005772.db2.gz HZAFDKRXVFVHPQ-CYBMUJFWSA-N 1 0 261.431 2.039 10 0 CEAERO COCCCSCCC[C@](C)(CO)[NH2+]C(C)C ZINC000085289972 179005949 /nfs/dbraw/zinc/00/59/49/179005949.db2.gz QPPAJKNGZSOJFD-CYBMUJFWSA-N 1 0 263.447 2.285 10 0 CEAERO CCC[NH2+][C@](C)(CO)C[C@@H](C)Sc1cc(C)nn1C ZINC000085289557 179006065 /nfs/dbraw/zinc/00/60/65/179006065.db2.gz LQKWSRQPUHPIFK-OCCSQVGLSA-N 1 0 285.457 2.350 10 0 CEAERO CCC[NH2+][C@@](C)(CO)C[C@@H](C)SC1CCOCC1 ZINC000085290213 179006759 /nfs/dbraw/zinc/00/67/59/179006759.db2.gz YHYDQJUPPHZBNZ-TZMCWYRMSA-N 1 0 275.458 2.428 10 0 CEAERO C[NH2+][C@@](C)(CO)CCCSc1nc2ccccc2[nH]1 ZINC000085291672 179007268 /nfs/dbraw/zinc/00/72/68/179007268.db2.gz URKZXVOZLHBRGO-CQSZACIVSA-N 1 0 279.409 2.406 10 0 CEAERO COc1ccc(SCCC[C@@](C)([NH3+])CO)cc1 ZINC000085291939 179007304 /nfs/dbraw/zinc/00/73/04/179007304.db2.gz JJNSMCKHVXLSEE-CYBMUJFWSA-N 1 0 255.383 2.277 10 0 CEAERO Cc1nnc(S[C@H](C)C[C@@](C)(CO)[NH2+]C2CC2)s1 ZINC000085297106 179008392 /nfs/dbraw/zinc/00/83/92/179008392.db2.gz GYDPXYKTUUPFJF-PELKAZGASA-N 1 0 287.454 2.220 10 0 CEAERO Cc1nnc(S[C@H](C)C[C@@](C)(CO)[NH2+]C(C)C)s1 ZINC000085297102 179008508 /nfs/dbraw/zinc/00/85/08/179008508.db2.gz YTHWSWCGUZPHAU-SKDRFNHKSA-N 1 0 289.470 2.466 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)CCCSc1ncccn1 ZINC000085292732 179008708 /nfs/dbraw/zinc/00/87/08/179008708.db2.gz BDZSPAUWAMVYBG-ZDUSSCGKSA-N 1 0 269.414 2.098 10 0 CEAERO Cc1cnc(SCC[C@](C)(CO)[NH2+]C(C)C)nc1 ZINC000085297802 179009046 /nfs/dbraw/zinc/00/90/46/179009046.db2.gz SBZJEMCFYGMSQI-CYBMUJFWSA-N 1 0 269.414 2.016 10 0 CEAERO CCC[NH2+][C@](CO)(CSCCOC)c1ccccc1 ZINC000085298007 179009162 /nfs/dbraw/zinc/00/91/62/179009162.db2.gz KSDYZZOJYYETRT-OAHLLOKOSA-N 1 0 283.437 2.253 10 0 CEAERO Cc1cnc(S[C@@H](C)C[C@](C)(CO)[NH2+]C(C)C)nc1 ZINC000085297771 179009462 /nfs/dbraw/zinc/00/94/62/179009462.db2.gz XOROSNHGTBTNDQ-GXTWGEPZSA-N 1 0 283.441 2.405 10 0 CEAERO CCC[NH2+][C@@](C)(CO)COc1ccc(C)c(C)c1 ZINC000085284722 179003047 /nfs/dbraw/zinc/00/30/47/179003047.db2.gz CLEQHGILNCTSJQ-HNNXBMFYSA-N 1 0 251.370 2.433 10 0 CEAERO C[C@@H](C[C@](C)(O)C[NH3+])n1ccnc1-c1cccs1 ZINC000085304868 179012173 /nfs/dbraw/zinc/01/21/73/179012173.db2.gz BAVICYURKGTYHV-GWCFXTLKSA-N 1 0 265.382 2.272 10 0 CEAERO CC(C)C[C@H](C)OC[C@@](O)(C[NH3+])c1ccccc1 ZINC000085306185 179012447 /nfs/dbraw/zinc/01/24/47/179012447.db2.gz UWRDCXFZUNYHGM-ZFWWWQNUSA-N 1 0 251.370 2.284 10 0 CEAERO CCCOc1ccc(O[C@@H](C)C[C@@](C)(O)C[NH3+])cc1 ZINC000085307414 179012858 /nfs/dbraw/zinc/01/28/58/179012858.db2.gz FLDXXESATNBGED-SWLSCSKDSA-N 1 0 267.369 2.343 10 0 CEAERO C[C@@H](C[C@@](C)(O)C[NH3+])Sc1ncnc2ccccc21 ZINC000085320451 179013928 /nfs/dbraw/zinc/01/39/28/179013928.db2.gz SCVFVIUGPSTAAN-IINYFYTJSA-N 1 0 277.393 2.210 10 0 CEAERO C[C@H]([NH3+])CSCc1nc(-c2cccs2)no1 ZINC000085314308 179014095 /nfs/dbraw/zinc/01/40/95/179014095.db2.gz WLBCAKXIMCLKHY-ZETCQYMHSA-N 1 0 255.368 2.379 10 0 CEAERO COc1cccc(CN2CCCC[C@@H]2C[NH3+])c1F ZINC000084946813 539535259 /nfs/dbraw/zinc/53/52/59/539535259.db2.gz VGADNGVOZWGSSZ-GFCCVEGCSA-N 1 0 252.333 2.148 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)Nc1cccc2cccnc21 ZINC000085355465 179030464 /nfs/dbraw/zinc/03/04/64/179030464.db2.gz DUOLMHQFZURHGL-RYUDHWBXSA-N 1 0 255.321 2.301 10 0 CEAERO COc1ccc(NC(=O)[C@H]2CCCC[C@H]2[NH3+])cc1F ZINC000085358296 179031121 /nfs/dbraw/zinc/03/11/21/179031121.db2.gz LGMXSMJBUOXURD-CMPLNLGQSA-N 1 0 266.316 2.290 10 0 CEAERO CN(C(=O)[C@H]1CCC[C@@H]1[NH3+])[C@H]1CCc2ccccc21 ZINC000085358865 179031137 /nfs/dbraw/zinc/03/11/37/179031137.db2.gz WZHXKAZUWGNVSI-KKUMJFAQSA-N 1 0 258.365 2.260 10 0 CEAERO CC(=O)Nc1cc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])ccc1C ZINC000085364936 179036176 /nfs/dbraw/zinc/03/61/76/179036176.db2.gz GIAJWQDRGYWDQB-STQMWFEESA-N 1 0 275.352 2.019 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1cc(F)c(F)c(F)c1 ZINC000061119171 362677177 /nfs/dbraw/zinc/67/71/77/362677177.db2.gz MZSHCJGKXYJPLF-MRVPVSSYSA-N 1 0 272.270 2.432 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000085361494 179033554 /nfs/dbraw/zinc/03/35/54/179033554.db2.gz STOCVTCQSIOLGH-KBPBESRZSA-N 1 0 288.395 2.138 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000085362907 179033950 /nfs/dbraw/zinc/03/39/50/179033950.db2.gz UKFIHYPNWPWRPW-WPGIIJABSA-N 1 0 262.397 2.055 10 0 CEAERO CN(C)c1ccc(Cl)cc1NC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085363498 179034662 /nfs/dbraw/zinc/03/46/62/179034662.db2.gz DWKSBTOBKPGNTD-QWRGUYRKSA-N 1 0 281.787 2.472 10 0 CEAERO [NH3+][C@H]1COC[C@H]1c1nc2cccc(Cl)c2s1 ZINC000085352956 179029832 /nfs/dbraw/zinc/02/98/32/179029832.db2.gz BKMOBPAEGZZCRA-SVRRBLITSA-N 1 0 254.742 2.391 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)N(Cc1ccncc1)C1CC1 ZINC000085367596 179037613 /nfs/dbraw/zinc/03/76/13/179037613.db2.gz XXKDQLKMXMFDPB-LSDHHAIUSA-N 1 0 273.380 2.090 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)N(Cc1cccnc1)C1CC1 ZINC000085367229 179037831 /nfs/dbraw/zinc/03/78/31/179037831.db2.gz DLLABNTYUHQANI-CABCVRRESA-N 1 0 273.380 2.090 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)N(Cc1cccc(O)c1)C1CC1 ZINC000085369293 179039218 /nfs/dbraw/zinc/03/92/18/179039218.db2.gz ABQOIYAYHIWKDY-HOTGVXAUSA-N 1 0 288.391 2.401 10 0 CEAERO COc1ccccc1CN(C)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085369683 179039747 /nfs/dbraw/zinc/03/97/47/179039747.db2.gz XDDMOKDHFBKWRP-KBPBESRZSA-N 1 0 276.380 2.171 10 0 CEAERO Cc1nc(C)c([C@@H](C)NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])s1 ZINC000085370578 179040699 /nfs/dbraw/zinc/04/06/99/179040699.db2.gz LOLHRFAASIGZCQ-JLLWLGSASA-N 1 0 281.425 2.455 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)NCCCn1ccc2ccccc21 ZINC000085371012 179041083 /nfs/dbraw/zinc/04/10/83/179041083.db2.gz SQXQYGQNQCQZKK-GJZGRUSLSA-N 1 0 285.391 2.275 10 0 CEAERO CC(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000085371782 179041624 /nfs/dbraw/zinc/04/16/24/179041624.db2.gz SOBPJQANONPKFP-ZIAGYGMSSA-N 1 0 260.337 2.345 10 0 CEAERO CC(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000085371778 179041642 /nfs/dbraw/zinc/04/16/42/179041642.db2.gz SOBPJQANONPKFP-KGLIPLIRSA-N 1 0 260.337 2.345 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)NCc1ccccc1OC(F)F ZINC000085371971 179041859 /nfs/dbraw/zinc/04/18/59/179041859.db2.gz FSXXKHHVBRWFIM-GHMZBOCLSA-N 1 0 284.306 2.032 10 0 CEAERO CCc1nc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])sc1C ZINC000085372498 179042211 /nfs/dbraw/zinc/04/22/11/179042211.db2.gz GIWQCYNLIPQQAU-RKDXNWHRSA-N 1 0 253.371 2.080 10 0 CEAERO Cc1cc([C@@H](C)NC(=O)[C@H]2CCC[C@@H]2[NH3+])c(C)o1 ZINC000085373220 179042932 /nfs/dbraw/zinc/04/29/32/179042932.db2.gz VELSDGMUIZXOAY-CDMKHQONSA-N 1 0 250.342 2.201 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)N1CCCc2ccccc2C1 ZINC000085375020 179043340 /nfs/dbraw/zinc/04/33/40/179043340.db2.gz LYFGIOXTPWJQMT-JKSUJKDBSA-N 1 0 272.392 2.479 10 0 CEAERO C[C@H](Cc1ccc(F)cc1)NC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085374705 179043456 /nfs/dbraw/zinc/04/34/56/179043456.db2.gz NJNJPDIIEYDSBJ-SWHYSGLUSA-N 1 0 264.344 2.000 10 0 CEAERO Cc1csc([C@@H](C)NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])n1 ZINC000085376293 179044673 /nfs/dbraw/zinc/04/46/73/179044673.db2.gz VSPNDOKRDILUIJ-MXWKQRLJSA-N 1 0 267.398 2.146 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+][C@@H](C)c2nnc3n2CCC3)C1(C)C ZINC000085384808 179046716 /nfs/dbraw/zinc/04/67/16/179046716.db2.gz UZXGLJVMRLLWEB-TUAOUCFPSA-N 1 0 278.400 2.079 10 0 CEAERO [NH3+]CCc1ccc(Cn2cc(C(F)(F)F)cn2)cc1 ZINC000097807541 185670647 /nfs/dbraw/zinc/67/06/47/185670647.db2.gz FFFCUEAMMMDWFO-UHFFFAOYSA-N 1 0 269.270 2.451 10 0 CEAERO [NH3+]C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 ZINC000062202790 362714297 /nfs/dbraw/zinc/71/42/97/362714297.db2.gz VDJANXGCQDVHBM-UHFFFAOYSA-N 1 0 272.327 2.210 10 0 CEAERO CCC[C@@H]1CN(CCn2cccn2)[C@@](C)(CC)C[NH2+]1 ZINC000085466078 179071573 /nfs/dbraw/zinc/07/15/73/179071573.db2.gz GSQKCVSZBXQCOE-CABCVRRESA-N 1 0 264.417 2.126 10 0 CEAERO CCOCC[N@@H+]1C[C@@H](C(C)C)NC[C@@H]1[C@@H](C)CC ZINC000085466677 179072065 /nfs/dbraw/zinc/07/20/65/179072065.db2.gz BVTYXFGTDHNVCG-SOUVJXGZSA-N 1 0 256.434 2.367 10 0 CEAERO CC(C)[C@H]1CN(C[C@@H]2CCCCO2)[C@H](C2CC2)C[NH2+]1 ZINC000085467130 179072423 /nfs/dbraw/zinc/07/24/23/179072423.db2.gz BYGRSSCSJBTBPT-XHSDSOJGSA-N 1 0 266.429 2.264 10 0 CEAERO Brc1cncnc1OCC[C@@H]1CCC[NH2+]C1 ZINC000085467963 179073062 /nfs/dbraw/zinc/07/30/62/179073062.db2.gz KHNFIBFIUBZQEF-VIFPVBQESA-N 1 0 286.173 2.008 10 0 CEAERO CCC[C@H]1C[NH2+][C@H](C(C)C)CN1Cc1ncccn1 ZINC000085450726 179065140 /nfs/dbraw/zinc/06/51/40/179065140.db2.gz ABYQFPKZQXPQSI-KBPBESRZSA-N 1 0 262.401 2.075 10 0 CEAERO CC[C@@]1(C)C[NH2+]CCN1CCCOCC(F)(F)F ZINC000085452003 179066136 /nfs/dbraw/zinc/06/61/36/179066136.db2.gz DKUTWXQGYTYJKM-NSHDSACASA-N 1 0 268.323 2.029 10 0 CEAERO CC[C@H](C)[C@H]1CNCC[N@@H+]1[C@@H]1CCC[C@H](OC)C1 ZINC000085452855 179066328 /nfs/dbraw/zinc/06/63/28/179066328.db2.gz FYHXTIZHVFSARF-LJISPDSOSA-N 1 0 254.418 2.264 10 0 CEAERO C[C@@]1(C2CC2)CNCC[N@@H+]1CCCOCC(F)(F)F ZINC000085452577 179066420 /nfs/dbraw/zinc/06/64/20/179066420.db2.gz OGPMPOGCLJTZHA-LBPRGKRZSA-N 1 0 280.334 2.029 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@H](C)CN1Cc1ccn(C(C)C)n1 ZINC000085454209 179067068 /nfs/dbraw/zinc/06/70/68/179067068.db2.gz GLECZYHVTDEYJE-HIFRSBDPSA-N 1 0 264.417 2.426 10 0 CEAERO CC[C@]1(C)C[NH2+][C@H](C)CN1Cc1ccn(C(C)C)n1 ZINC000085454208 179067415 /nfs/dbraw/zinc/06/74/15/179067415.db2.gz GLECZYHVTDEYJE-UKRRQHHQSA-N 1 0 264.417 2.426 10 0 CEAERO C[C@@H]1C[N@H+](CC2CCOCC2)C2(CCCC2)CN1 ZINC000085454438 179067728 /nfs/dbraw/zinc/06/77/28/179067728.db2.gz QLEXDIBPCIYJRD-CYBMUJFWSA-N 1 0 252.402 2.020 10 0 CEAERO CCC[C@@H]1CN([C@@H]2CCOC2)[C@H]([C@@H](C)CC)C[NH2+]1 ZINC000085455282 179067986 /nfs/dbraw/zinc/06/79/86/179067986.db2.gz WCVZVHSCKGEQPY-YJNKXOJESA-N 1 0 254.418 2.264 10 0 CEAERO CC[NH+](CC)CCc1nc(C)c(Br)c(N)n1 ZINC000085459061 179068028 /nfs/dbraw/zinc/06/80/28/179068028.db2.gz YVYVVENMRIZCBB-UHFFFAOYSA-N 1 0 287.205 2.014 10 0 CEAERO C[C@H]1C[N@H+](CC2CCOCC2)C2(CCCCC2)CN1 ZINC000085454507 179068067 /nfs/dbraw/zinc/06/80/67/179068067.db2.gz LZKITHKAKRGPHF-AWEZNQCLSA-N 1 0 266.429 2.410 10 0 CEAERO CC[C@H](C)[C@@H]1CN[C@@](C)(CC)C[N@@H+]1[C@@H]1CCOC1 ZINC000085495589 179082015 /nfs/dbraw/zinc/08/20/15/179082015.db2.gz ASVBNLKKSJTUDH-XGUBFFRZSA-N 1 0 254.418 2.264 10 0 CEAERO CCC[C@H]1C[NH2+][C@@H](CC)CN1CCn1ccnc1C ZINC000085472664 179077155 /nfs/dbraw/zinc/07/71/55/179077155.db2.gz ZZKZQVDRYQARBI-GJZGRUSLSA-N 1 0 264.417 2.044 10 0 CEAERO CC[C@H]1C[N@H+](C[C@@H]2CCOC2)[C@H](C(C)(C)C)CN1 ZINC000085473785 179077853 /nfs/dbraw/zinc/07/78/53/179077853.db2.gz ZVFSBCCOITZOFE-IHRRRGAJSA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1C[C@@H]1CCCO1 ZINC000085475544 179078734 /nfs/dbraw/zinc/07/87/34/179078734.db2.gz IGLQJBXMBAUNAF-MELADBBJSA-N 1 0 254.418 2.264 10 0 CEAERO CC[C@H](C)[C@@H]1C[N@H+](C[C@@H]2CCOC2)[C@@H](CC)CN1 ZINC000085490901 179080976 /nfs/dbraw/zinc/08/09/76/179080976.db2.gz WBKFWXAWVSFVPT-AJNGGQMLSA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@H](C)[C@H]1CN(Cc2ncccn2)[C@@H](CC)C[NH2+]1 ZINC000085490690 179081359 /nfs/dbraw/zinc/08/13/59/179081359.db2.gz HKPYSBGXLNWYNS-MELADBBJSA-N 1 0 262.401 2.075 10 0 CEAERO CC(C)[C@@H]1C[NH2+]C(C)(C)CN1CCOCC(F)(F)F ZINC000085469818 179075223 /nfs/dbraw/zinc/07/52/23/179075223.db2.gz JQHKSTSBBRAOKN-NSHDSACASA-N 1 0 282.350 2.274 10 0 CEAERO CC1(C)C[N@H+](C[C@@H]2CCCO2)[C@](C)(C2CC2)CN1 ZINC000085471592 179075983 /nfs/dbraw/zinc/07/59/83/179075983.db2.gz YJIYPTFQBLXQAB-ZFWWWQNUSA-N 1 0 252.402 2.018 10 0 CEAERO CC[C@]1(C)CN(Cc2ncccn2)[C@H](C(C)C)C[NH2+]1 ZINC000085495356 179081986 /nfs/dbraw/zinc/08/19/86/179081986.db2.gz YRMIRUBPQRTEHT-DZGCQCFKSA-N 1 0 262.401 2.075 10 0 CEAERO CC[C@@]1(C)CNC(C)(C)C[N@@H+]1CCCn1ccnc1 ZINC000085471145 179076396 /nfs/dbraw/zinc/07/63/96/179076396.db2.gz ONCSETJWCWRZEU-HNNXBMFYSA-N 1 0 264.417 2.126 10 0 CEAERO CC[C@H]1C[N@H+](CCCOCC(F)(F)F)[C@@H](CC)CN1 ZINC000085472364 179076853 /nfs/dbraw/zinc/07/68/53/179076853.db2.gz JEERLTSWINQACY-RYUDHWBXSA-N 1 0 282.350 2.418 10 0 CEAERO CC[C@H]1C[NH2+][C@@](C)(C2CC2)CN1CC(F)(F)F ZINC000085510731 179085241 /nfs/dbraw/zinc/08/52/41/179085241.db2.gz MXGDQRRJXADABU-WDEREUQCSA-N 1 0 250.308 2.401 10 0 CEAERO CC[C@H]1C[NH2+][C@](C)(C2CC2)CN1CCOC(C)C ZINC000085509904 179085988 /nfs/dbraw/zinc/08/59/88/179085988.db2.gz HCNBFPVAXRRWQC-GJZGRUSLSA-N 1 0 254.418 2.264 10 0 CEAERO C[NH2+]CCCc1cn(C)c2c1c(OC)ccc2OC ZINC000098160239 185694834 /nfs/dbraw/zinc/69/48/34/185694834.db2.gz WEGRQAHGAKOJAZ-UHFFFAOYSA-N 1 0 262.353 2.348 10 0 CEAERO CCn1cc(CN2C[C@](C)(C3CC3)[NH2+]C[C@@H]2C2CC2)cn1 ZINC000085513700 179086325 /nfs/dbraw/zinc/08/63/25/179086325.db2.gz YQWMWFCAUVXNLR-IAGOWNOFSA-N 1 0 288.439 2.256 10 0 CEAERO C[C@]1(C2CC2)C[N@H+](CC2CCOCC2)[C@H](C2CC2)CN1 ZINC000085513766 179086488 /nfs/dbraw/zinc/08/64/88/179086488.db2.gz PUVAWMATAMFVPO-DLBZAZTESA-N 1 0 278.440 2.266 10 0 CEAERO C[C@@]1(C2CC2)C[N@H+](C[C@@H]2CCCO2)[C@H](C2CC2)CN1 ZINC000085513651 179086646 /nfs/dbraw/zinc/08/66/46/179086646.db2.gz AFWHNDDNVPTMOG-JYJNAYRXSA-N 1 0 264.413 2.018 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@@](C)(C2CC2)CN1Cc1ncccn1 ZINC000085515038 179087006 /nfs/dbraw/zinc/08/70/06/179087006.db2.gz RHWWFOJNSZRLOR-JKSUJKDBSA-N 1 0 274.412 2.219 10 0 CEAERO CCC1(CC)CN(C[C@@H]2CCCO2)C(C)(C)C[NH2+]1 ZINC000085519901 179087530 /nfs/dbraw/zinc/08/75/30/179087530.db2.gz KDGKZSDINFBTEG-ZDUSSCGKSA-N 1 0 254.418 2.408 10 0 CEAERO COCCOCCN1C[C@](C)(C2CC2)[NH2+]CC12CCCC2 ZINC000085515834 179087590 /nfs/dbraw/zinc/08/75/90/179087590.db2.gz YNJMRCUWMSHBCX-MRXNPFEDSA-N 1 0 296.455 2.036 10 0 CEAERO C[C@]1(C2CC2)CN(CCn2cccn2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085516232 179088016 /nfs/dbraw/zinc/08/80/16/179088016.db2.gz XGKMIHKAKFVPKU-IAGOWNOFSA-N 1 0 288.439 2.126 10 0 CEAERO CC[C@H](C)[C@@H]1CN([C@@H]2CCOC2)[C@@](C)(CC)C[NH2+]1 ZINC000085493341 179082334 /nfs/dbraw/zinc/08/23/34/179082334.db2.gz GLZKDSWNHUUKRD-XGUBFFRZSA-N 1 0 254.418 2.264 10 0 CEAERO CCOCC[N@@H+]1C[C@](C)(CC)NCC12CCCC2 ZINC000085497065 179083753 /nfs/dbraw/zinc/08/37/53/179083753.db2.gz XUEDWKVIGWDXHM-AWEZNQCLSA-N 1 0 254.418 2.410 10 0 CEAERO CC(C)OCCN1C[C@H](c2ccccc2)[NH2+]C[C@@H]1C ZINC000085504274 179084107 /nfs/dbraw/zinc/08/41/07/179084107.db2.gz HPWHKHKKJUBHLU-GOEBONIOSA-N 1 0 262.397 2.446 10 0 CEAERO COc1ccc(CN2C[C@@H](C3CC3)[NH2+]C[C@@H]2C)cc1F ZINC000085521997 179088829 /nfs/dbraw/zinc/08/88/29/179088829.db2.gz ODCZJSNZGPNACH-NHYWBVRUSA-N 1 0 278.371 2.407 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C2CC2)CN1C[C@@H]1CCCCO1 ZINC000085522627 179088879 /nfs/dbraw/zinc/08/88/79/179088879.db2.gz IGTXYZYCTIZQRB-ILXRZTDVSA-N 1 0 252.402 2.018 10 0 CEAERO CC[C@@H](C)[C@@H]1C[NH2+][C@H](C2CC2)CN1Cc1ncccn1 ZINC000085525056 179089078 /nfs/dbraw/zinc/08/90/78/179089078.db2.gz YXBJNDKVBGWKSC-SNPRPXQTSA-N 1 0 274.412 2.075 10 0 CEAERO CC[C@@H](C)[C@@H]1CN[C@H](C2CC2)C[N@@H+]1CCn1ccnc1C ZINC000085525088 179089876 /nfs/dbraw/zinc/08/98/76/179089876.db2.gz OGBTWKKKDPWDSJ-COXVUDFISA-N 1 0 290.455 2.290 10 0 CEAERO Cc1cccc(CSCC(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000602595923 347093201 /nfs/dbraw/zinc/09/32/01/347093201.db2.gz ZGOMNHAJYWDGLX-UKRRQHHQSA-N 1 0 292.448 2.281 10 0 CEAERO Cc1oncc1C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000128941545 365812251 /nfs/dbraw/zinc/81/22/51/365812251.db2.gz NEJIVJBCGNVIQQ-KGLIPLIRSA-N 1 0 250.342 2.110 10 0 CEAERO CCOCCN1C[C@H](C2CCCCC2)[NH2+]C[C@@H]1C ZINC000085529582 179091466 /nfs/dbraw/zinc/09/14/66/179091466.db2.gz PUNOPVKJDSTPML-DZGCQCFKSA-N 1 0 254.418 2.266 10 0 CEAERO C[C@]1(C2CC2)CN[C@@H](C2CC2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085529408 179091503 /nfs/dbraw/zinc/09/15/03/179091503.db2.gz JOZXXFUVLDDFIX-ARFHVFGLSA-N 1 0 264.413 2.018 10 0 CEAERO COCCN1C[C@H](C2CCCCC2)[NH2+]C[C@@H]1C1CC1 ZINC000085530810 179091728 /nfs/dbraw/zinc/09/17/28/179091728.db2.gz ISWHZODBWRVGRF-HZPDHXFCSA-N 1 0 266.429 2.266 10 0 CEAERO CC(C)Cc1nc2c(n1CC(F)(F)F)CC[NH2+]C2 ZINC000085568603 179095409 /nfs/dbraw/zinc/09/54/09/179095409.db2.gz CSDYTIYJJBPFEY-UHFFFAOYSA-N 1 0 261.291 2.290 10 0 CEAERO CC(C)c1nc2c(n1[C@H]1CCCC[C@@H]1O)CC[NH2+]C2 ZINC000085571298 179097142 /nfs/dbraw/zinc/09/71/42/179097142.db2.gz JHRZNOBDFNTYCP-KBPBESRZSA-N 1 0 263.385 2.128 10 0 CEAERO C[C@@H]1CC[NH2+][C@H](C(C)(C)C)CN1Cc1cnn(C)c1 ZINC000085624760 179106658 /nfs/dbraw/zinc/10/66/58/179106658.db2.gz WZWXVVWBWCFGCJ-OCCSQVGLSA-N 1 0 264.417 2.019 10 0 CEAERO C[C@@H]1CC[NH2+][C@@H](C(C)(C)C)CN1Cc1ncccn1 ZINC000085624247 179107041 /nfs/dbraw/zinc/10/70/41/179107041.db2.gz XSGJQDUVSOYTFV-CHWSQXEVSA-N 1 0 262.401 2.075 10 0 CEAERO CCC1(CC)CN(Cc2ncccn2)[C@H](C)CC[NH2+]1 ZINC000085627844 179107118 /nfs/dbraw/zinc/10/71/18/179107118.db2.gz RHXOGAVUMPCFPK-CYBMUJFWSA-N 1 0 262.401 2.219 10 0 CEAERO COCC[C@H](C)n1c2c(nc1C(C)(C)C)C[NH2+]CC2 ZINC000085575248 179099553 /nfs/dbraw/zinc/09/95/53/179099553.db2.gz IJGMJSWXPCFJRJ-NSHDSACASA-N 1 0 265.401 2.424 10 0 CEAERO C[C@@H]1CC[NH2+][C@H](C2CC2)CN1CCC(F)(F)F ZINC000085626442 179107369 /nfs/dbraw/zinc/10/73/69/179107369.db2.gz WYTPFTUXWDDKNA-KOLCDFICSA-N 1 0 250.308 2.401 10 0 CEAERO COc1cccc(CN2CCC[NH2+][C@H](CC(C)C)C2)n1 ZINC000085611250 179102447 /nfs/dbraw/zinc/10/24/47/179102447.db2.gz PAYZQMVTGVOTPD-OAHLLOKOSA-N 1 0 277.412 2.300 10 0 CEAERO CCn1cc(CN2CCC[NH2+][C@H](C(C)(C)C)C2)cn1 ZINC000085613885 179102467 /nfs/dbraw/zinc/10/24/67/179102467.db2.gz FNMKUJRZKSLDTE-AWEZNQCLSA-N 1 0 264.417 2.113 10 0 CEAERO CC[C@H](C)n1ccc(CN2CCC[NH2+]C(C)(C)C2)n1 ZINC000085611662 179103050 /nfs/dbraw/zinc/10/30/50/179103050.db2.gz HKLIGDDIYQIPRZ-ZDUSSCGKSA-N 1 0 264.417 2.428 10 0 CEAERO CC(C)C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)C(=O)N(C)C ZINC000085672508 179111979 /nfs/dbraw/zinc/11/19/79/179111979.db2.gz YAJWNYYOJVXVGO-XQLPTFJDSA-N 1 0 296.455 2.283 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+]CCc2nccn2C)C12CCCC2 ZINC000085680390 179113279 /nfs/dbraw/zinc/11/32/79/179113279.db2.gz KHGXWYPJDMTMNE-KGLIPLIRSA-N 1 0 277.412 2.290 10 0 CEAERO [NH3+]CCc1ccc(N2CCO[C@H]3CCCC[C@@H]32)cc1 ZINC000104282010 136554262 /nfs/dbraw/zinc/55/42/62/136554262.db2.gz MPHYBCONTFGACS-HOTGVXAUSA-N 1 0 260.381 2.336 10 0 CEAERO C[C@H]([NH3+])[C@H](c1ccccn1)N1CCN(C)c2ccccc21 ZINC000111459294 136562148 /nfs/dbraw/zinc/56/21/48/136562148.db2.gz LODIJMKQYBAZMG-SUMWQHHRSA-N 1 0 282.391 2.426 10 0 CEAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1csc(C2CC2)n1 ZINC000129217808 365837735 /nfs/dbraw/zinc/83/77/35/365837735.db2.gz KMDBFCIGNITBSP-ZACCUICWSA-N 1 0 277.393 2.033 10 0 CEAERO [NH3+][C@H](Cc1ccccc1)C1(N2CCOCC2)CCCC1 ZINC000085752809 179144323 /nfs/dbraw/zinc/14/43/23/179144323.db2.gz CMAIAFNKSCQNGS-MRXNPFEDSA-N 1 0 274.408 2.201 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)N(C[C@H]1CCCO1)C1CCCC1 ZINC000236901172 370649383 /nfs/dbraw/zinc/64/93/83/370649383.db2.gz HNFYJEWUCFKUTO-ZIAGYGMSSA-N 1 0 268.401 2.064 10 0 CEAERO [NH3+][C@@]1(C(=O)Nc2ccc(OC3CCCC3)cc2)CCOC1 ZINC000085871965 179193139 /nfs/dbraw/zinc/19/31/39/179193139.db2.gz HOPFNUHLSGHPIB-INIZCTEOSA-N 1 0 290.363 2.064 10 0 CEAERO CC(C)c1ccc([C@H](C)NC(=O)[C@]2([NH3+])CCOC2)cc1 ZINC000085872167 179193165 /nfs/dbraw/zinc/19/31/65/179193165.db2.gz NKWWKZFWSBBKTJ-LRDDRELGSA-N 1 0 276.380 2.105 10 0 CEAERO CC(C)[C@H](NC(=O)[C@@]1([NH3+])CCOC1)c1ccc(Cl)cc1 ZINC000085871328 179193343 /nfs/dbraw/zinc/19/33/43/179193343.db2.gz OUUZAXJDTHGVSE-DZGCQCFKSA-N 1 0 296.798 2.271 10 0 CEAERO CC(C)(C)c1ccccc1NC(=O)[C@]1([NH3+])CCOC1 ZINC000085870936 179193473 /nfs/dbraw/zinc/19/34/73/179193473.db2.gz PLVRBIWEJYEQLT-HNNXBMFYSA-N 1 0 262.353 2.040 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1CNC(=O)CCc1ccccc1 ZINC000085965316 179205282 /nfs/dbraw/zinc/20/52/82/179205282.db2.gz QZIXHEQORXLUEL-CABCVRRESA-N 1 0 260.381 2.253 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1CNC(=O)c1ccc2ncccc2c1 ZINC000085965899 179205335 /nfs/dbraw/zinc/20/53/35/179205335.db2.gz KOWFBPCTLGBWBH-HUUCEWRRSA-N 1 0 283.375 2.482 10 0 CEAERO Cc1ccc(F)c(C(=O)NC[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000085964068 179205644 /nfs/dbraw/zinc/20/56/44/179205644.db2.gz QFWAYCLFZOBZAP-FZMZJTMJSA-N 1 0 264.344 2.381 10 0 CEAERO COc1ccccc1NC(=O)NC[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085970381 179206507 /nfs/dbraw/zinc/20/65/07/179206507.db2.gz AVNIROAHBBFIBX-RYUDHWBXSA-N 1 0 277.368 2.334 10 0 CEAERO CC[C@@H](C)NC(=O)CC[NH2+]C/C(Cl)=C/Cl ZINC000085977936 179208638 /nfs/dbraw/zinc/20/86/38/179208638.db2.gz ROFQCSFCQHBWPU-WSQKDGNHSA-N 1 0 253.173 2.200 10 0 CEAERO CCCOc1cncc(NC[C@@H]2CCCC[C@H]2[NH3+])n1 ZINC000085975465 179207935 /nfs/dbraw/zinc/20/79/35/179207935.db2.gz PLANPDBPYZRQRL-NWDGAFQWSA-N 1 0 264.373 2.195 10 0 CEAERO CCC[NH2+][C@@H](CCO)CN(C)Cc1ccccc1F ZINC000085921948 179200154 /nfs/dbraw/zinc/20/01/54/179200154.db2.gz VXPAYBPPBJQZDK-AWEZNQCLSA-N 1 0 268.376 2.008 10 0 CEAERO CC[NH2+][C@@H](CCO)CN1CCC2(CCCC2)CC1 ZINC000085922941 179201520 /nfs/dbraw/zinc/20/15/20/179201520.db2.gz NXALDQTUDCMEJQ-AWEZNQCLSA-N 1 0 254.418 2.003 10 0 CEAERO CCC[NH2+][C@H](CCO)C[S@](=O)c1cccc(Cl)c1 ZINC000085925758 179202457 /nfs/dbraw/zinc/20/24/57/179202457.db2.gz KSPUQVYKHWAISS-KZULUSFZSA-N 1 0 289.828 2.198 10 0 CEAERO O=C(C[NH2+]C[C@H]1CCCC[C@H]1O)Nc1c(F)cccc1F ZINC000085986713 179212335 /nfs/dbraw/zinc/21/23/35/179212335.db2.gz IFHWSBJYXWQYDL-ZWNOBZJWSA-N 1 0 298.333 2.044 10 0 CEAERO Cc1ncsc1CC[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000085987370 179212978 /nfs/dbraw/zinc/21/29/78/179212978.db2.gz SAKTUVJASVGUTG-RYUDHWBXSA-N 1 0 254.399 2.135 10 0 CEAERO C[N@@H+]1CCC=C(CCNC(=O)Cc2ccc(F)cc2)C1 ZINC000065421453 362819819 /nfs/dbraw/zinc/81/98/19/362819819.db2.gz HDEZMMOJGPTNCU-UHFFFAOYSA-N 1 0 276.355 2.136 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CC[C@@H]1Sc1ccc(S(C)(=O)=O)cc1 ZINC000086046104 179222712 /nfs/dbraw/zinc/22/27/12/179222712.db2.gz VSOVSPUAKIPZEU-WQAKAFBOSA-N 1 0 285.434 2.308 10 0 CEAERO CC[NH2+][C@@H]1CC[C@@H](Sc2n[nH]c(=O)n2C(C)C)[C@@H]1C ZINC000086045588 179222760 /nfs/dbraw/zinc/22/27/60/179222760.db2.gz QQPHZEYJVNMXNJ-GMTAPVOTSA-N 1 0 284.429 2.021 10 0 CEAERO CCC[NH2+][C@@H]1CC[C@@H](Sc2nccc(=O)[nH]2)[C@@H]1C ZINC000086043774 179222777 /nfs/dbraw/zinc/22/27/77/179222777.db2.gz HGIBAEZVEIMJAI-GMTAPVOTSA-N 1 0 267.398 2.441 10 0 CEAERO C[C@H]1[C@H]([NH3+])CC[C@@H]1Sc1ccc(S(C)(=O)=O)cc1 ZINC000086046106 179222912 /nfs/dbraw/zinc/22/29/12/179222912.db2.gz VSOVSPUAKIPZEU-BIMULSAOSA-N 1 0 285.434 2.308 10 0 CEAERO C[C@@H]1[C@@H](C)CC[C@@H]1[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC000086076826 179225887 /nfs/dbraw/zinc/22/58/87/179225887.db2.gz YWMHMYWYYHTXJT-SCRDCRAPSA-N 1 0 271.364 2.219 10 0 CEAERO [NH3+][C@@H](c1csc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000086020171 179218242 /nfs/dbraw/zinc/21/82/42/179218242.db2.gz RMAPDAHBOYUOLE-NOZJJQNGSA-N 1 0 281.402 2.336 10 0 CEAERO CCc1oc2ccccc2c1[C@@H]([NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000086022730 179219096 /nfs/dbraw/zinc/21/90/96/179219096.db2.gz FAYRVEHJMPPYHW-BONVTDFDSA-N 1 0 293.388 2.430 10 0 CEAERO CC(C)[C@H]1CSC(NCCc2nccs2)=[NH+]1 ZINC000086127268 179235294 /nfs/dbraw/zinc/23/52/94/179235294.db2.gz PDGPQZGIUKJTSS-SECBINFHSA-N 1 0 255.412 2.403 10 0 CEAERO CCC[C@@H]1CN(CCc2ccc(OC)cc2)CC[NH2+]1 ZINC000086122955 179235980 /nfs/dbraw/zinc/23/59/80/179235980.db2.gz QYWAVHVHXHZANH-OAHLLOKOSA-N 1 0 262.397 2.312 10 0 CEAERO c1cc(CCN2CC[NH2+][C@H](C3CCCCC3)C2)ccn1 ZINC000086141990 179237036 /nfs/dbraw/zinc/23/70/36/179237036.db2.gz JZVCHMREUFSKBP-KRWDZBQOSA-N 1 0 273.424 2.478 10 0 CEAERO Cc1csc(CN2CC[NH2+][C@@H](CC(C)C)C2)n1 ZINC000086144340 179237972 /nfs/dbraw/zinc/23/79/72/179237972.db2.gz CPDSPGRVHCYMIG-LBPRGKRZSA-N 1 0 253.415 2.271 10 0 CEAERO CC[C@H]1CC[C@H](NS(=O)(=O)c2cccc(C[NH3+])c2)[C@@H]1C ZINC000086091577 179228934 /nfs/dbraw/zinc/22/89/34/179228934.db2.gz OYNPTOYOMCRTSJ-ZLDLUXBVSA-N 1 0 296.436 2.248 10 0 CEAERO CC(C)(C)[C@@H]1CN(CCc2nccs2)CC[NH2+]1 ZINC000086148902 179239935 /nfs/dbraw/zinc/23/99/35/179239935.db2.gz WMGAMHIXLOKPBV-NSHDSACASA-N 1 0 253.415 2.006 10 0 CEAERO C[C@@]1(c2ccccc2)CN(Cc2cscn2)CC[NH2+]1 ZINC000086149431 179240295 /nfs/dbraw/zinc/24/02/95/179240295.db2.gz BWTRNNHOEKBKJT-HNNXBMFYSA-N 1 0 273.405 2.464 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C)CN1CCc1ccc(OC)c(OC)c1 ZINC000086152076 179240318 /nfs/dbraw/zinc/24/03/18/179240318.db2.gz FNXDJZCNROJWDK-DZGCQCFKSA-N 1 0 292.423 2.319 10 0 CEAERO c1nc(CN2CC[NH2+][C@H](C3CCCCC3)C2)cs1 ZINC000086149434 179240761 /nfs/dbraw/zinc/24/07/61/179240761.db2.gz DHSGRNPMMHYNLB-AWEZNQCLSA-N 1 0 265.426 2.497 10 0 CEAERO C[C@H](c1nccs1)N1CC[NH2+]C2(CCCC2)C1 ZINC000086150524 179240928 /nfs/dbraw/zinc/24/09/28/179240928.db2.gz RMCAMXIVEYOUIM-LLVKDONJSA-N 1 0 251.399 2.422 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C(C)C)CN1c1cnn(CC)c1 ZINC000086154279 179241238 /nfs/dbraw/zinc/24/12/38/179241238.db2.gz VFRMEBKEXPHWQY-GXTWGEPZSA-N 1 0 250.390 2.116 10 0 CEAERO C[C@H]1CN[C@@H](Cc2ccccc2)C[N@@H+]1C[C@@H]1CCCOC1 ZINC000086174002 179244176 /nfs/dbraw/zinc/24/41/76/179244176.db2.gz TZMAPDSSSPHANL-SZMVWBNQSA-N 1 0 288.435 2.318 10 0 CEAERO CC[C@H](C)[C@H]1CN([C@@H]2CCCOC2)[C@@H](CC)C[NH2+]1 ZINC000086175679 179245895 /nfs/dbraw/zinc/24/58/95/179245895.db2.gz IJRPZOSKVJMAAW-BYNSBNAKSA-N 1 0 254.418 2.264 10 0 CEAERO Cc1cnc(CN2CC[NH2+][C@@H](C3CCCCC3)C2)cn1 ZINC000086148012 179239698 /nfs/dbraw/zinc/23/96/98/179239698.db2.gz DKYJCBBRRSINFU-MRXNPFEDSA-N 1 0 274.412 2.139 10 0 CEAERO CC[C@H]1C[NH2+][C@H](CC(C)C)CN1c1cnn(C)c1 ZINC000086218373 179249732 /nfs/dbraw/zinc/24/97/32/179249732.db2.gz SDHFEWFQRQTMER-OLZOCXBDSA-N 1 0 250.390 2.023 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C2CCCCC2)CN1C[C@@H]1COCCO1 ZINC000086223623 179251522 /nfs/dbraw/zinc/25/15/22/179251522.db2.gz IJIGBPOKYUKAFF-BBWFWOEESA-N 1 0 296.455 2.035 10 0 CEAERO CC(C)C[C@@H]1CN(CCc2cccnc2)[C@@H](C)C[NH2+]1 ZINC000086223243 179252001 /nfs/dbraw/zinc/25/20/01/179252001.db2.gz GCIRBDSDLJAKAF-GOEBONIOSA-N 1 0 261.413 2.333 10 0 CEAERO C[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1CCc1ccncc1 ZINC000086223352 179252230 /nfs/dbraw/zinc/25/22/30/179252230.db2.gz SNHJSOBZBFGBRO-HIFRSBDPSA-N 1 0 261.413 2.333 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C2CCCCC2)CN1C[C@@H]1COCCO1 ZINC000086223625 179252327 /nfs/dbraw/zinc/25/23/27/179252327.db2.gz IJIGBPOKYUKAFF-GVDBMIGSSA-N 1 0 296.455 2.035 10 0 CEAERO C[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1nccs1 ZINC000086226820 179253546 /nfs/dbraw/zinc/25/35/46/179253546.db2.gz JWYBIDPQQAMLDM-ZWNOBZJWSA-N 1 0 251.399 2.106 10 0 CEAERO Brc1csc(NCCC[NH2+]C2CC2)n1 ZINC000086290524 179265378 /nfs/dbraw/zinc/26/53/78/179265378.db2.gz WBENHACNQQAWBY-UHFFFAOYSA-N 1 0 276.203 2.460 10 0 CEAERO CN(CC[NH+]1CCCC1)c1nc(Br)cs1 ZINC000086291170 179265416 /nfs/dbraw/zinc/26/54/16/179265416.db2.gz VGMDWLRSLPSEID-UHFFFAOYSA-N 1 0 290.230 2.438 10 0 CEAERO COCCCC[N@@H+]1C[C@H](C2CC2)NC[C@@H]1C(C)C ZINC000086259428 179258827 /nfs/dbraw/zinc/25/88/27/179258827.db2.gz PVCLLODAJKTZHH-HUUCEWRRSA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@H]1CNC2(CCCC2)C[N@@H+]1C[C@@H](C)COC ZINC000086260984 179259971 /nfs/dbraw/zinc/25/99/71/179259971.db2.gz JHNMBRXMGZFNSD-KGLIPLIRSA-N 1 0 254.418 2.266 10 0 CEAERO COC[C@H](C)C[N@@H+]1C[C@@H](c2ccccc2)NC[C@@H]1C ZINC000086260916 179260393 /nfs/dbraw/zinc/26/03/93/179260393.db2.gz WSULEUMPGUAPON-YCPHGPKFSA-N 1 0 262.397 2.304 10 0 CEAERO CC[C@@H]1CN(c2cnn(C(C)C)c2)[C@@H](CC)C[NH2+]1 ZINC000086263508 179261288 /nfs/dbraw/zinc/26/12/88/179261288.db2.gz WRDBEBXWMOCMOG-OLZOCXBDSA-N 1 0 250.390 2.431 10 0 CEAERO COc1cc(CN2C[C@@](C)(C3CC3)[NH2+]C[C@@H]2C)ccn1 ZINC000086263822 179261376 /nfs/dbraw/zinc/26/13/76/179261376.db2.gz FIJTZWWSOLUTCG-LRDDRELGSA-N 1 0 275.396 2.053 10 0 CEAERO C[C@H]1C[NH2+][C@@H](C2CC2)CN1CCOC1CCCCC1 ZINC000086265794 179261868 /nfs/dbraw/zinc/26/18/68/179261868.db2.gz SXIBJDAVOJBWKK-XJKSGUPXSA-N 1 0 266.429 2.408 10 0 CEAERO COc1ccc(CN2CC(C)(C)[NH2+]C[C@@H]2C)c(OC)c1 ZINC000086265270 179262011 /nfs/dbraw/zinc/26/20/11/179262011.db2.gz NIJYOQQUNUNLFF-LBPRGKRZSA-N 1 0 278.396 2.276 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@@H](C2CC2)CN1CCc1cscn1 ZINC000086265555 179262116 /nfs/dbraw/zinc/26/21/16/179262116.db2.gz OGEJGOSZYPUKPR-CABCVRRESA-N 1 0 279.453 2.394 10 0 CEAERO CC(C)C[C@@H]1CN(CCc2ccccn2)CCC[NH2+]1 ZINC000086288176 179264077 /nfs/dbraw/zinc/26/40/77/179264077.db2.gz AXWJJPPSJFWSAI-MRXNPFEDSA-N 1 0 261.413 2.334 10 0 CEAERO CCn1cc(N2CCC[NH2+][C@H](c3ccccc3)C2)cn1 ZINC000086287203 179264700 /nfs/dbraw/zinc/26/47/00/179264700.db2.gz VGAITUACCJFNRN-INIZCTEOSA-N 1 0 270.380 2.444 10 0 CEAERO C[C@H]1[NH2+]CC[C@@H]1c1nc2cc(Br)cnc2[nH]1 ZINC000086256074 179256676 /nfs/dbraw/zinc/25/66/76/179256676.db2.gz SGTGQRPKHOOLGR-SVRRBLITSA-N 1 0 281.157 2.186 10 0 CEAERO c1csc(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000128587395 187379236 /nfs/dbraw/zinc/37/92/36/187379236.db2.gz GKOJRURFCHMZQC-GFCCVEGCSA-N 1 0 262.382 2.252 10 0 CEAERO Brc1csc(N[C@@H]2CCC[NH2+]C2)n1 ZINC000086290803 179265602 /nfs/dbraw/zinc/26/56/02/179265602.db2.gz ULZRKYPQJPYOJE-ZCFIWIBFSA-N 1 0 262.176 2.070 10 0 CEAERO Brc1csc(NCC[NH2+]C2CC2)n1 ZINC000086290698 179265751 /nfs/dbraw/zinc/26/57/51/179265751.db2.gz UNMJFQALZCRMRF-UHFFFAOYSA-N 1 0 262.176 2.070 10 0 CEAERO Cc1cc(CN2CCC[NH2+][C@H](CC(C)C)C2)on1 ZINC000086292727 179266277 /nfs/dbraw/zinc/26/62/77/179266277.db2.gz IIMOTOUTHSDULN-CYBMUJFWSA-N 1 0 251.374 2.193 10 0 CEAERO c1ccc(C[C@@H]2C[N@H+](C[C@@H]3CCCOC3)CCCN2)cc1 ZINC000086292435 179266612 /nfs/dbraw/zinc/26/66/12/179266612.db2.gz ILNFCFAOQDCHGT-ZWKOTPCHSA-N 1 0 288.435 2.320 10 0 CEAERO C[C@@H](Cc1ccc(F)cc1)N1CCC[NH2+][C@@H](C)C1 ZINC000086296181 179267852 /nfs/dbraw/zinc/26/78/52/179267852.db2.gz NFZHIKWNGYNHRS-STQMWFEESA-N 1 0 250.361 2.441 10 0 CEAERO CC(C)[C@@H]1CN(c2cnn(C(C)C)c2)CCC[NH2+]1 ZINC000086295953 179268316 /nfs/dbraw/zinc/26/83/16/179268316.db2.gz BCWGYLQPLLKMDM-AWEZNQCLSA-N 1 0 250.390 2.288 10 0 CEAERO C[C@H]1[C@@H](C)S(=O)(=O)c2ccc(Cl)cc2[C@@H]1[NH3+] ZINC000086308935 179269105 /nfs/dbraw/zinc/26/91/05/179269105.db2.gz RZBWRKFETFZZLO-MVKOHCKWSA-N 1 0 259.758 2.152 10 0 CEAERO CC(C)[C@@H]1CN(CCc2cscn2)CCC[NH2+]1 ZINC000086297945 179269169 /nfs/dbraw/zinc/26/91/69/179269169.db2.gz ZZQOXBKZEAIUPA-ZDUSSCGKSA-N 1 0 253.415 2.006 10 0 CEAERO C[C@H]1CN([C@@H](C[NH3+])c2cc(Cl)cs2)CCO1 ZINC000086333170 179273175 /nfs/dbraw/zinc/27/31/75/179273175.db2.gz WTGNENSLIYSSNN-WPRPVWTQSA-N 1 0 260.790 2.122 10 0 CEAERO CCn1nc(C)c(Br)c1CC1(C)C[NH2+]C1 ZINC000086395372 179285289 /nfs/dbraw/zinc/28/52/89/179285289.db2.gz WFUSZYONQLVDMW-UHFFFAOYSA-N 1 0 272.190 2.126 10 0 CEAERO CC[C@@H]1CN(C(=O)c2scnc2C)[C@H](CC)C[NH2+]1 ZINC000086448143 179295810 /nfs/dbraw/zinc/29/58/10/179295810.db2.gz ZGKQUMOEDDPVJN-GHMZBOCLSA-N 1 0 267.398 2.054 10 0 CEAERO CC1(C)COCCN1c1nc2c(s1)CCC[C@@H]2[NH3+] ZINC000086443851 179294259 /nfs/dbraw/zinc/29/42/59/179294259.db2.gz ZERYTIWYMGYFII-VIFPVBQESA-N 1 0 267.398 2.094 10 0 CEAERO O[C@@H]1CCCc2sc(N3CCC[N@@H+]4CCC[C@@H]4C3)nc21 ZINC000086444772 179294507 /nfs/dbraw/zinc/29/45/07/179294507.db2.gz YHSUPWVOEIBADB-VXGBXAGGSA-N 1 0 293.436 2.187 10 0 CEAERO CN(C[C@H]1CCCOC1)c1nc2c(s1)CCC[C@@H]2[NH3+] ZINC000086444209 179294859 /nfs/dbraw/zinc/29/48/59/179294859.db2.gz ZBDXQCQCXHAWQI-MNOVXSKESA-N 1 0 281.425 2.342 10 0 CEAERO [NH3+][C@H]1CCC(=O)N(C[C@H]2CCCc3ccccc32)C1 ZINC000086444898 179294917 /nfs/dbraw/zinc/29/49/17/179294917.db2.gz OYTXQCRHLQPSKB-KGLIPLIRSA-N 1 0 258.365 2.056 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1c1nc2c(s1)CCC[C@@H]2O ZINC000086444741 179294925 /nfs/dbraw/zinc/29/49/25/179294925.db2.gz CZGKXKFNSBAJKD-MNOVXSKESA-N 1 0 281.425 2.043 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)c1ccc2c(c1)CCO2 ZINC000086447444 179295563 /nfs/dbraw/zinc/29/55/63/179295563.db2.gz KRULSTGKVMBQQJ-LSDHHAIUSA-N 1 0 288.391 2.224 10 0 CEAERO CC[C@H]1CN(C(=O)c2cc(C)oc2C)[C@@H](CC)C[NH2+]1 ZINC000086447252 179295724 /nfs/dbraw/zinc/29/57/24/179295724.db2.gz ANTDOWBPJQHMNN-STQMWFEESA-N 1 0 264.369 2.499 10 0 CEAERO CC[C@@H]1CN(C(=O)CC[C@@H]2CCCCO2)[C@@H](CC)C[NH2+]1 ZINC000086447811 179295876 /nfs/dbraw/zinc/29/58/76/179295876.db2.gz GBIHDVUYDCHLLY-ILXRZTDVSA-N 1 0 282.428 2.325 10 0 CEAERO NC(=[NH2+])c1c(F)cccc1Sc1nncs1 ZINC000086477295 179300452 /nfs/dbraw/zinc/30/04/52/179300452.db2.gz CIBQETSJZJLGCA-UHFFFAOYSA-N 1 0 254.315 2.112 10 0 CEAERO CC[NH2+][C@@H](C)Cc1nc([C@H]2Cc3ccccc32)no1 ZINC000086486452 179301945 /nfs/dbraw/zinc/30/19/45/179301945.db2.gz AXDSCOKVWIGUAZ-GWCFXTLKSA-N 1 0 257.337 2.298 10 0 CEAERO CC(C)C[NH2+]Cc1cc(=O)[nH]c([C@H]2Cc3ccccc32)n1 ZINC000086492507 179302613 /nfs/dbraw/zinc/30/26/13/179302613.db2.gz PYMYUUYZBUYLOE-HNNXBMFYSA-N 1 0 283.375 2.204 10 0 CEAERO CNC(=O)[C@@H]1C[C@@H](c2cc(C)c(C)cc2C)CC[NH2+]1 ZINC000086492920 179302653 /nfs/dbraw/zinc/30/26/53/179302653.db2.gz UCJGGKQZINJPQW-ZFWWWQNUSA-N 1 0 260.381 2.193 10 0 CEAERO CN1C(=[NH2+])NC[C@]1(C)c1ccc(Cl)cc1Cl ZINC000086458880 179296256 /nfs/dbraw/zinc/29/62/56/179296256.db2.gz IDWDGSGXKZISLF-LLVKDONJSA-N 1 0 258.152 2.469 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)N1CCC2(CCC2)CC1 ZINC000308694278 539577681 /nfs/dbraw/zinc/57/76/81/539577681.db2.gz KTLKWSKANFZIMC-CYBMUJFWSA-N 1 0 250.386 2.169 10 0 CEAERO CC[C@H]1CN(Cc2nccn2C(F)F)[C@@H](CC)C[NH2+]1 ZINC000086463789 179296531 /nfs/dbraw/zinc/29/65/31/179296531.db2.gz RTYZWSVORHVMBF-QWRGUYRKSA-N 1 0 272.343 2.241 10 0 CEAERO COc1ccc(C2(C[NH3+])CC3(C2)CCOCC3)cc1OC ZINC000086539810 179307014 /nfs/dbraw/zinc/30/70/14/179307014.db2.gz GQCBUPHRWLMCEY-UHFFFAOYSA-N 1 0 291.391 2.491 10 0 CEAERO CC(C)(C[NH3+])COc1cncc(Br)c1 ZINC000086597214 179311211 /nfs/dbraw/zinc/31/12/11/179311211.db2.gz SYHCCRWSGONULC-UHFFFAOYSA-N 1 0 259.147 2.208 10 0 CEAERO CO[C@@H](C)[C@@H]([NH3+])Cc1cc(F)ccc1Br ZINC000086575751 179308519 /nfs/dbraw/zinc/30/85/19/179308519.db2.gz BHWCKJXEOQMNNM-CPCISQLKSA-N 1 0 276.149 2.493 10 0 CEAERO COc1ccc([C@H]2[C@@H](C[NH3+])OCCN2C2CC2)cc1Cl ZINC000086585002 179310448 /nfs/dbraw/zinc/31/04/48/179310448.db2.gz VYWCGGGKRLSYDZ-CABCVRRESA-N 1 0 296.798 2.212 10 0 CEAERO C[C@H](CO)C[NH2+][C@H](c1ccccc1)c1ccncc1 ZINC000086627950 179313665 /nfs/dbraw/zinc/31/36/65/179313665.db2.gz BYCVAYZNLFNSBZ-XJKSGUPXSA-N 1 0 256.349 2.389 10 0 CEAERO COCCc1nc2cc(C[NH3+])ccc2n1C(C)(C)C ZINC000086641944 179314872 /nfs/dbraw/zinc/31/48/72/179314872.db2.gz SFFISDOWDRVORO-UHFFFAOYSA-N 1 0 261.369 2.439 10 0 CEAERO CC(C)Cn1c2ccc(C[NH3+])cc2nc1CN(C)C ZINC000086641734 179315170 /nfs/dbraw/zinc/31/51/70/179315170.db2.gz QGRLMNVBBZHUSQ-UHFFFAOYSA-N 1 0 260.385 2.213 10 0 CEAERO Cc1cc(Br)cnc1N(C)C[C@@H](C)C(N)=[NH2+] ZINC000086707172 179322297 /nfs/dbraw/zinc/32/22/97/179322297.db2.gz QZEQJQQNVAYFOV-MRVPVSSYSA-N 1 0 285.189 2.161 10 0 CEAERO C[NH2+][C@H](Cc1cc(F)cc(Br)c1)CN(C)C ZINC000086696413 179321157 /nfs/dbraw/zinc/32/11/57/179321157.db2.gz BGLNRIOPXVKYEB-GFCCVEGCSA-N 1 0 289.192 2.280 10 0 CEAERO CCN(CCC(N)=[NH2+])c1ncc(Br)cc1C ZINC000086707169 179321994 /nfs/dbraw/zinc/32/19/94/179321994.db2.gz WDISHXFQAOLVPC-UHFFFAOYSA-N 1 0 285.189 2.305 10 0 CEAERO CCC[NH+]1CCC(O)([C@H]2Cc3ccccc3N2)CC1 ZINC000086648486 179316749 /nfs/dbraw/zinc/31/67/49/179316749.db2.gz DVWQYZHGPJSNSH-OAHLLOKOSA-N 1 0 260.381 2.260 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1S(C)(=O)=O)c1cccc(F)c1 ZINC000086671737 179317937 /nfs/dbraw/zinc/31/79/37/179317937.db2.gz AFWNDTIXQKPNOU-GDLCADMTSA-N 1 0 285.384 2.442 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1S(C)(=O)=O)c1cccc(F)c1 ZINC000086671739 179318131 /nfs/dbraw/zinc/31/81/31/179318131.db2.gz AFWNDTIXQKPNOU-HONMWMINSA-N 1 0 285.384 2.442 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1S(C)(=O)=O)c1cccc(O)c1 ZINC000086674623 179318568 /nfs/dbraw/zinc/31/85/68/179318568.db2.gz GJWGOMVWYVSPBD-GDLCADMTSA-N 1 0 283.393 2.009 10 0 CEAERO COc1cccc([C@@H](C)[NH2+][C@@H]2CCC[C@@H]2S(C)(=O)=O)c1 ZINC000086674892 179318891 /nfs/dbraw/zinc/31/88/91/179318891.db2.gz UWZXDVXQLNRFPH-DFBGVHRSSA-N 1 0 297.420 2.312 10 0 CEAERO C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCC[C@@H]1S(C)(=O)=O ZINC000086675997 179318957 /nfs/dbraw/zinc/31/89/57/179318957.db2.gz PHLDTZGYUQSLHU-UGFHNGPFSA-N 1 0 299.411 2.312 10 0 CEAERO CCC(CC)[C@H](C)[NH2+][C@H]1CCC[C@@H]1S(C)(=O)=O ZINC000086676123 179319154 /nfs/dbraw/zinc/31/91/54/179319154.db2.gz YVJYDWHWYYYYDE-DRZSPHRISA-N 1 0 261.431 2.366 10 0 CEAERO Fc1cc(Br)cc(CO[C@H]2CC[NH2+]C2)c1 ZINC000086694875 179320477 /nfs/dbraw/zinc/32/04/77/179320477.db2.gz CFHDIAKSFZAYTC-NSHDSACASA-N 1 0 274.133 2.467 10 0 CEAERO CCCC1CCC(C[NH3+])(O[C@H](C)C(=O)OC)CC1 ZINC000086713422 179322781 /nfs/dbraw/zinc/32/27/81/179322781.db2.gz VCIRVFUJEKPBLT-LKSINWNRSA-N 1 0 257.374 2.252 10 0 CEAERO CCOC(=O)C[C@]1([NH+](CC)CC)CCCN(C)CC1 ZINC000086834407 179349381 /nfs/dbraw/zinc/34/93/81/179349381.db2.gz LQHZSDNTQGCYTD-HNNXBMFYSA-N 1 0 270.417 2.136 10 0 CEAERO CCS(=O)(=O)c1ccc(N[C@H]2CCC[N@H+](C)CC2)cc1 ZINC000086817852 179345796 /nfs/dbraw/zinc/34/57/96/179345796.db2.gz HTJGHASCMAFPGE-ZDUSSCGKSA-N 1 0 296.436 2.376 10 0 CEAERO C[N@@H+]1CCC[C@@H](Nc2cccc(N3CCNC3=O)c2)CC1 ZINC000086817946 179345888 /nfs/dbraw/zinc/34/58/88/179345888.db2.gz WDFFOOASVJYTAX-CYBMUJFWSA-N 1 0 288.395 2.112 10 0 CEAERO C[N@@H+]1CCC[C@@H](Nc2cccnc2-n2cccn2)CC1 ZINC000086818370 179346662 /nfs/dbraw/zinc/34/66/62/179346662.db2.gz APDBNJIZCQRAMY-CYBMUJFWSA-N 1 0 271.368 2.164 10 0 CEAERO CC[N@@H+]1CCC[C@H](NCc2ccnc(OC)c2)CC1 ZINC000086844670 179355796 /nfs/dbraw/zinc/35/57/96/179355796.db2.gz CZQZABAICAIRQD-AWEZNQCLSA-N 1 0 263.385 2.054 10 0 CEAERO CC[N@@H+]1CCC[C@H](Nc2ccc(C(=O)NC)cc2)CC1 ZINC000086838082 179351363 /nfs/dbraw/zinc/35/13/63/179351363.db2.gz TXSSIOBBHQBCTQ-AWEZNQCLSA-N 1 0 275.396 2.333 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000086839557 179351706 /nfs/dbraw/zinc/35/17/06/179351706.db2.gz CJZXPLKAJHZDCK-CYBMUJFWSA-N 1 0 286.383 2.153 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2ccccc2CC(=O)NC)CC1 ZINC000086838418 179351833 /nfs/dbraw/zinc/35/18/33/179351833.db2.gz VYOXAZHLBSZRKS-OAHLLOKOSA-N 1 0 289.423 2.261 10 0 CEAERO CC[N@@H+]1CCC[C@@H](n2nc(C)c(Cl)c2N)CC1 ZINC000086846040 179355192 /nfs/dbraw/zinc/35/51/92/179355192.db2.gz RYWQGULWFRCBCI-SNVBAGLBSA-N 1 0 256.781 2.474 10 0 CEAERO COC(=O)C[C@@](C)([NH3+])c1ccccc1Br ZINC000086851292 179359489 /nfs/dbraw/zinc/35/94/89/179359489.db2.gz FKSXAZZGUKNBIA-LLVKDONJSA-N 1 0 272.142 2.186 10 0 CEAERO CCC[N@@H+]1CCC[C@@H]([NH+]2CCC[C@@](C)(C(=O)[O-])C2)CC1 ZINC000086869137 179362649 /nfs/dbraw/zinc/36/26/49/179362649.db2.gz GSVXWWDONUNOLU-GDBMZVCRSA-N 1 0 282.428 2.438 10 0 CEAERO CC[N@H+](CCC(=O)[O-])[C@@H]1CCC[NH+](C(C)C)CC1 ZINC000086868860 179362779 /nfs/dbraw/zinc/36/27/79/179362779.db2.gz OQGHWKLZNYBDFN-CYBMUJFWSA-N 1 0 256.390 2.046 10 0 CEAERO COc1ccc(C[C@@]2([NH3+])CCCOCC2)cc1F ZINC000086870404 179363519 /nfs/dbraw/zinc/36/35/19/179363519.db2.gz DKFSNVPPDKRGIM-CQSZACIVSA-N 1 0 253.317 2.275 10 0 CEAERO CC(C)C[NH+](CC(C)C)[C@@]1(CN)CCCOCC1 ZINC000086875068 179364621 /nfs/dbraw/zinc/36/46/21/179364621.db2.gz PSWXQIRYORHVFS-HNNXBMFYSA-N 1 0 256.434 2.498 10 0 CEAERO CC(C)[N@@H+]1CCC[C@](Nc2ccccc2F)(C(N)=O)CC1 ZINC000086849500 179358457 /nfs/dbraw/zinc/35/84/57/179358457.db2.gz LVYLYKYKASGYNA-MRXNPFEDSA-N 1 0 293.386 2.356 10 0 CEAERO CCC[N@@H+]1CCC[C@@](N)(c2noc(C(C)(C)C)n2)CC1 ZINC000086851779 179358891 /nfs/dbraw/zinc/35/88/91/179358891.db2.gz RWIQTPXBVPRBMI-HNNXBMFYSA-N 1 0 280.416 2.417 10 0 CEAERO CCS(=O)(=O)CCC[C@]1([NH3+])CCCC(C)(C)C1 ZINC000086977469 179372791 /nfs/dbraw/zinc/37/27/91/179372791.db2.gz PTQFEGJHCLLICJ-CYBMUJFWSA-N 1 0 261.431 2.499 10 0 CEAERO CC[NH2+][C@@H]1CC[C@H](CCCS(=O)(=O)CC)[C@@H]1C ZINC000086981859 179373773 /nfs/dbraw/zinc/37/37/73/179373773.db2.gz UHFQBSAGZXRFAJ-RWMBFGLXSA-N 1 0 261.431 2.226 10 0 CEAERO C[C@@H]1CCC[C@@](C[NH3+])(N2CCOCC2(C)C)CC1 ZINC000086890936 179366000 /nfs/dbraw/zinc/36/60/00/179366000.db2.gz ULCVQTRGYLPKQK-UKRRQHHQSA-N 1 0 254.418 2.395 10 0 CEAERO CC[C@H]1CCC[C@](C[NH3+])(N2CCn3ccnc3C2)CC1 ZINC000086913310 179367406 /nfs/dbraw/zinc/36/74/06/179367406.db2.gz BQSFFYQTZQLDTC-HOCLYGCPSA-N 1 0 276.428 2.387 10 0 CEAERO CCS(=O)(=O)CCC[C@H]1CCc2ccccc2[C@@H]1[NH3+] ZINC000086976346 179372045 /nfs/dbraw/zinc/37/20/45/179372045.db2.gz YVKVMKWMZROOAE-DZGCQCFKSA-N 1 0 281.421 2.464 10 0 CEAERO CCC(O)(CC)C[NH2+]C[C@H](O)c1cc(F)ccc1F ZINC000087028485 179382012 /nfs/dbraw/zinc/38/20/12/179382012.db2.gz NQYVVLRXCGONAU-ZDUSSCGKSA-N 1 0 273.323 2.139 10 0 CEAERO O=C(OCc1ccccc1)N1C[C@@H]2CC[C@H]1C[NH2+]C2 ZINC000066351351 362862858 /nfs/dbraw/zinc/86/28/58/362862858.db2.gz LPSOUWORWCUSEM-KGLIPLIRSA-N 1 0 260.337 2.007 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]C[C@@](C)(O)CC)c1C ZINC000087013787 179379800 /nfs/dbraw/zinc/37/98/00/179379800.db2.gz USYBOYAYRWKNOM-YGRLFVJLSA-N 1 0 253.390 2.331 10 0 CEAERO CCC(O)(CC)C[NH2+][C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000087015197 179379876 /nfs/dbraw/zinc/37/98/76/179379876.db2.gz BTBNVVBEAGZJNF-CYBMUJFWSA-N 1 0 297.420 2.046 10 0 CEAERO Cc1cc(C(=O)NC2CC([NH3+])C2)sc1Br ZINC000087018480 179381471 /nfs/dbraw/zinc/38/14/71/179381471.db2.gz GKFUIWAVXGZNRZ-UHFFFAOYSA-N 1 0 289.198 2.039 10 0 CEAERO [NH3+][C@@H]1CCCc2nc([C@H]3CSCCO3)sc21 ZINC000086989834 179374526 /nfs/dbraw/zinc/37/45/26/179374526.db2.gz XEVWICGKOLYJOL-VXNVDRBHSA-N 1 0 256.396 2.284 10 0 CEAERO CCOCCN(CC)[C@H](C[NH3+])c1ccc(OC)c(F)c1 ZINC000086992288 179375047 /nfs/dbraw/zinc/37/50/47/179375047.db2.gz YVYYDLQUCLHPKD-CQSZACIVSA-N 1 0 284.375 2.193 10 0 CEAERO COc1ccc([C@H]2[C@@H](C[NH3+])CCCN2C)cc1F ZINC000086994635 179375985 /nfs/dbraw/zinc/37/59/85/179375985.db2.gz VZFCSRQMYVSDNP-RISCZKNCSA-N 1 0 252.333 2.176 10 0 CEAERO C[C@H]1CC[C@H](CNC(=O)c2c(F)cc(F)cc2F)C[NH2+]1 ZINC000086996411 179376874 /nfs/dbraw/zinc/37/68/74/179376874.db2.gz MGWZKXDTMVJAQL-IUCAKERBSA-N 1 0 286.297 2.222 10 0 CEAERO CC[C@@](C)(O)C[NH2+]CC(=O)Nc1ccccc1Cl ZINC000087027957 179381957 /nfs/dbraw/zinc/38/19/57/179381957.db2.gz YKGIQWFXGIELRQ-CYBMUJFWSA-N 1 0 270.760 2.029 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1CNC(=O)c1c(F)cc(F)cc1F ZINC000086998961 179378069 /nfs/dbraw/zinc/37/80/69/179378069.db2.gz VWZKVBJPFCDZIN-UFBFGSQYSA-N 1 0 286.297 2.351 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1CNC(=O)c1c(F)cc(F)cc1F ZINC000086998964 179378106 /nfs/dbraw/zinc/37/81/06/179378106.db2.gz VWZKVBJPFCDZIN-QPUJVOFHSA-N 1 0 286.297 2.351 10 0 CEAERO [NH3+]CCC[C@H]1CCCN1C(=O)c1c(F)cc(F)cc1F ZINC000086998954 179378187 /nfs/dbraw/zinc/37/81/87/179378187.db2.gz PBWZPOVSSANGCC-JTQLQIEISA-N 1 0 286.297 2.447 10 0 CEAERO C[NH2+]C[C@@H]1CCCCN1C(=O)CC1=CCCCC1 ZINC000104114455 185897983 /nfs/dbraw/zinc/89/79/83/185897983.db2.gz JDWSCPDGYNTXKM-AWEZNQCLSA-N 1 0 250.386 2.477 10 0 CEAERO CCC1CCC(O)(C[NH2+][C@H]2CCN(C(C)C)C2)CC1 ZINC000087052951 179388937 /nfs/dbraw/zinc/38/89/37/179388937.db2.gz HNYWEKHKOQAYPB-PCKAHOCUSA-N 1 0 268.445 2.390 10 0 CEAERO COC(=O)[C@H](C[NH2+]CC1(O)CCCCC1)c1ccccc1 ZINC000087029096 179382341 /nfs/dbraw/zinc/38/23/41/179382341.db2.gz XSYWTJFUAGJCDE-OAHLLOKOSA-N 1 0 291.391 2.228 10 0 CEAERO CCOC(=O)CCCCC[NH2+]CC1(O)CCCCC1 ZINC000087029313 179382405 /nfs/dbraw/zinc/38/24/05/179382405.db2.gz WGLRWSVGBWBSRI-UHFFFAOYSA-N 1 0 271.401 2.395 10 0 CEAERO CCC1CCC(O)(C[NH2+]Cc2c[nH]nc2C)CC1 ZINC000087061366 179389693 /nfs/dbraw/zinc/38/96/93/179389693.db2.gz BLLWMPYQGNDQNY-UHFFFAOYSA-N 1 0 251.374 2.139 10 0 CEAERO CCC1CCC(O)(CNC(=O)CC2([NH3+])CCCC2)CC1 ZINC000087070500 179391429 /nfs/dbraw/zinc/39/14/29/179391429.db2.gz XTULJWZOFYAENX-UHFFFAOYSA-N 1 0 282.428 2.096 10 0 CEAERO CC[C@@H]1C[NH2+]C[C@@H](c2ccc(OC)cc2OC)O1 ZINC000087090342 179394159 /nfs/dbraw/zinc/39/41/59/179394159.db2.gz HPADKTXUECYTIM-YGRLFVJLSA-N 1 0 251.326 2.143 10 0 CEAERO CCn1cc(C[C@@H](CSCC(C)C)[NH2+]C)cn1 ZINC000087123222 179396495 /nfs/dbraw/zinc/39/64/95/179396495.db2.gz TWXCUWIHPDIIAA-ZDUSSCGKSA-N 1 0 255.431 2.423 10 0 CEAERO c1ccc(SCc2noc([C@@H]3C[NH2+]CCO3)n2)cc1 ZINC000087161502 179397738 /nfs/dbraw/zinc/39/77/38/179397738.db2.gz UFTYVBHJXAHKLO-NSHDSACASA-N 1 0 277.349 2.023 10 0 CEAERO CC[NH2+]CCc1c(C)nn(CC[C@@H]2CCCO2)c1C ZINC000087278217 179407590 /nfs/dbraw/zinc/40/75/90/179407590.db2.gz XVXIFGOLIFJDJD-AWEZNQCLSA-N 1 0 265.401 2.221 10 0 CEAERO CC[C@H](Cc1nc(CSCC(C)C)no1)[NH2+]C ZINC000087126287 179396328 /nfs/dbraw/zinc/39/63/28/179396328.db2.gz MBGOPYNXBXBQJP-SNVBAGLBSA-N 1 0 257.403 2.499 10 0 CEAERO CCOCCC[NH2+]Cc1cccnc1OC(C)C ZINC000087325203 179412859 /nfs/dbraw/zinc/41/28/59/179412859.db2.gz DLDXOVHAIDHXBI-UHFFFAOYSA-N 1 0 252.358 2.385 10 0 CEAERO COc1ccc([C@H](C[NH3+])[C@@H](O)c2ccc(C)o2)cc1 ZINC000087353886 179415477 /nfs/dbraw/zinc/41/54/77/179415477.db2.gz JYBOCHDAEDBMNQ-DZGCQCFKSA-N 1 0 261.321 2.373 10 0 CEAERO COc1ccc(Cl)cc1[C@@H](C[NH3+])[C@H](O)C(C)C ZINC000087375638 179417162 /nfs/dbraw/zinc/41/71/62/179417162.db2.gz BGUGLHBGEONASJ-DGCLKSJQSA-N 1 0 257.761 2.408 10 0 CEAERO [NH3+]C[C@H](c1cccs1)[C@@H](O)c1ccc2c(c1)CCO2 ZINC000087374662 179417289 /nfs/dbraw/zinc/41/72/89/179417289.db2.gz PSRUODMNJCXLLB-DOMZBBRYSA-N 1 0 275.373 2.459 10 0 CEAERO COc1ccc(Cl)cc1[C@H](C[NH3+])[C@H](O)C1CC1 ZINC000087375961 179417302 /nfs/dbraw/zinc/41/73/02/179417302.db2.gz RLVZSNNPCYZZPC-WCQYABFASA-N 1 0 255.745 2.162 10 0 CEAERO COCC[C@H](O)[C@@H](C[NH3+])c1ccc(C(C)C)cc1 ZINC000087381953 179417593 /nfs/dbraw/zinc/41/75/93/179417593.db2.gz QTAHGRVJYCWQNB-GJZGRUSLSA-N 1 0 251.370 2.250 10 0 CEAERO [NH3+]C[C@@H](c1ccc(F)cc1Cl)[C@H](O)C(F)(F)F ZINC000087380759 179417599 /nfs/dbraw/zinc/41/75/99/179417599.db2.gz FPNBIUBVYNSKQP-CBAPKCEASA-N 1 0 271.641 2.445 10 0 CEAERO CCC[C@H](C[NH3+])NC(=O)Cc1cccc(Br)c1 ZINC000087387943 179419222 /nfs/dbraw/zinc/41/92/22/179419222.db2.gz FGWXGFYEGVBKPM-GFCCVEGCSA-N 1 0 299.212 2.235 10 0 CEAERO CC(C)[C@H](C[NH3+])NC(=O)c1cccn1Cc1ccccc1 ZINC000087403471 179419428 /nfs/dbraw/zinc/41/94/28/179419428.db2.gz BJGKEXSNAXXBEW-HNNXBMFYSA-N 1 0 285.391 2.250 10 0 CEAERO CC(C)[C@H](C[NH3+])NC(=O)CCCc1cccs1 ZINC000087403502 179419511 /nfs/dbraw/zinc/41/95/11/179419511.db2.gz VQBIEEIWZCTSSA-LBPRGKRZSA-N 1 0 254.399 2.170 10 0 CEAERO COc1cccc([C@@H](C[NH2+]CC2(O)CCCC2)N(C)C)c1 ZINC000087459834 179429295 /nfs/dbraw/zinc/42/92/95/179429295.db2.gz FWNAPOFYMWBKAW-MRXNPFEDSA-N 1 0 292.423 2.193 10 0 CEAERO C[C@H](Cc1ccco1)NC(=O)C(C)(C)C(C)(C)[NH3+] ZINC000087627549 179458319 /nfs/dbraw/zinc/45/83/19/179458319.db2.gz VAGBHDOFOFURCH-SNVBAGLBSA-N 1 0 252.358 2.090 10 0 CEAERO CC(C)(C)[C@H](Cn1ccnc1)NC(=O)C(C)(C)C(C)(C)[NH3+] ZINC000087627364 179458663 /nfs/dbraw/zinc/45/86/63/179458663.db2.gz JJHVHHQPCFQGAJ-LBPRGKRZSA-N 1 0 294.443 2.178 10 0 CEAERO [NH3+][C@H]1CC[C@](O)(Cc2cc(Br)ccc2F)C1 ZINC000087654129 179463399 /nfs/dbraw/zinc/46/33/99/179463399.db2.gz NNYYGPZRDNEEGC-JQWIXIFHSA-N 1 0 288.160 2.373 10 0 CEAERO CC[NH2+][C@H](C)[C@@H](CC)c1nc([C@@H]2CCOC2)no1 ZINC000087810005 179489572 /nfs/dbraw/zinc/48/95/72/179489572.db2.gz RMCKJRBMBFPMCF-GMTAPVOTSA-N 1 0 253.346 2.065 10 0 CEAERO [NH3+][C@H](C[C@@H]1OCCc2ccccc21)C1CCOCC1 ZINC000087811060 179489609 /nfs/dbraw/zinc/48/96/09/179489609.db2.gz WRCBINMPZLOIAX-CVEARBPZSA-N 1 0 261.365 2.444 10 0 CEAERO Cc1cc(C)n2c(nnc2[C@@H](C)CCC[C@H](C)[NH3+])n1 ZINC000087663420 179466761 /nfs/dbraw/zinc/46/67/61/179466761.db2.gz QZBAEBNIHPWSCD-UWVGGRQHSA-N 1 0 261.373 2.362 10 0 CEAERO COCC1CCN(C(=O)CCC(C)(C)CC[NH3+])CC1 ZINC000087703209 179473249 /nfs/dbraw/zinc/47/32/49/179473249.db2.gz UADYZRGODIWDFU-UHFFFAOYSA-N 1 0 270.417 2.027 10 0 CEAERO Cc1cccnc1CNC(=O)CCC(C)(C)CC[NH3+] ZINC000087702586 179473401 /nfs/dbraw/zinc/47/34/01/179473401.db2.gz IYGOIXVHNRXJQO-UHFFFAOYSA-N 1 0 263.385 2.161 10 0 CEAERO COC(=O)C(C)(C)C[C@H]([NH3+])c1ccc(OC)c(F)c1 ZINC000087722524 179477192 /nfs/dbraw/zinc/47/71/92/179477192.db2.gz LDESXRURBZVQKF-NSHDSACASA-N 1 0 269.316 2.423 10 0 CEAERO COc1ccc([C@H]([NH3+])CC(C)(C)C(N)=O)c(Cl)c1 ZINC000087722618 179477566 /nfs/dbraw/zinc/47/75/66/179477566.db2.gz KRHPFADRXIDZEJ-LLVKDONJSA-N 1 0 270.760 2.250 10 0 CEAERO CCC[NH2+]CCOCCc1cc(OC)c(OC)cc1F ZINC000087731009 179479164 /nfs/dbraw/zinc/47/91/64/179479164.db2.gz VRDUKPPLGRAZSL-UHFFFAOYSA-N 1 0 285.359 2.402 10 0 CEAERO CCOCCCN(CC(F)(F)F)C(=O)[C@@H](C[NH3+])C(C)C ZINC000087526241 179441012 /nfs/dbraw/zinc/44/10/12/179441012.db2.gz OZFIAPCOYOAZAX-NSHDSACASA-N 1 0 298.349 2.035 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)Nc1ccc2oc(C)nc2c1 ZINC000087531913 179441612 /nfs/dbraw/zinc/44/16/12/179441612.db2.gz IJBXBLSYGYROCG-SNVBAGLBSA-N 1 0 261.325 2.450 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N[C@H](C)Cc1ccc(C)s1 ZINC000087534759 179442677 /nfs/dbraw/zinc/44/26/77/179442677.db2.gz LFQSZTLWKKZORK-ZYHUDNBSSA-N 1 0 268.426 2.479 10 0 CEAERO CC[NH2+][C@H](CC(=O)OCC)c1cccc(OC)c1 ZINC000087549066 179444739 /nfs/dbraw/zinc/44/47/39/179444739.db2.gz UZFGLBHNJRCMGN-CYBMUJFWSA-N 1 0 251.326 2.299 10 0 CEAERO CC[NH2+][C@@](CC)(CC(=O)OC)c1ccc(OC)cc1 ZINC000087553783 179446239 /nfs/dbraw/zinc/44/62/39/179446239.db2.gz ZPLOMBOGQZNJIE-HNNXBMFYSA-N 1 0 265.353 2.473 10 0 CEAERO CC(=O)Nc1cccc([C@H]2CCC[N@H+](CCO)CC2)c1 ZINC000616626907 348539570 /nfs/dbraw/zinc/53/95/70/348539570.db2.gz DXLIRUVDOIULNX-AWEZNQCLSA-N 1 0 276.380 2.207 10 0 CEAERO [NH3+]CCN1CCC[C@@H](c2ccc3nnccc3c2)CC1 ZINC000616627286 348539746 /nfs/dbraw/zinc/53/97/46/348539746.db2.gz GPVADSPPEVKYSG-CYBMUJFWSA-N 1 0 270.380 2.158 10 0 CEAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H]1c1ccc(CO)cc1 ZINC000616635424 348541852 /nfs/dbraw/zinc/54/18/52/348541852.db2.gz BSPHFMQIVMAUFW-CQSZACIVSA-N 1 0 292.379 2.060 10 0 CEAERO CCOC(=O)c1cccc([C@H]2C[NH2+]CCN2C(C)C)c1 ZINC000616637498 348543007 /nfs/dbraw/zinc/54/30/07/348543007.db2.gz NXJREXNKXTYUPJ-OAHLLOKOSA-N 1 0 276.380 2.218 10 0 CEAERO c1ccc(C[N@@H+]2CCOC[C@@H](c3ccncn3)C2)cc1 ZINC000616659733 348552069 /nfs/dbraw/zinc/55/20/69/348552069.db2.gz IASZYURPVZCBHC-HNNXBMFYSA-N 1 0 269.348 2.093 10 0 CEAERO C[C@H]([NH2+]C[C@H](c1cccs1)N(C)C)C(C)(C)O ZINC000087817449 179492250 /nfs/dbraw/zinc/49/22/50/179492250.db2.gz YMLRPQWBDIDHJO-WDEREUQCSA-N 1 0 256.415 2.100 10 0 CEAERO c1ccc(C[N@@H+]2CCCO[C@H](c3ccncn3)C2)cc1 ZINC000616653374 348549326 /nfs/dbraw/zinc/54/93/26/348549326.db2.gz ULBAHWCIECIXTJ-INIZCTEOSA-N 1 0 269.348 2.440 10 0 CEAERO C/C=C(/C)C(=O)N1CC[C@H](c2cccc(F)c2)[C@@H]([NH3+])C1 ZINC000616573017 348524283 /nfs/dbraw/zinc/52/42/83/348524283.db2.gz YNDLGRIKWYJKML-WJOBXRDNSA-N 1 0 276.355 2.435 10 0 CEAERO C[C@@]12C[C@H](c3ccccc3)[NH2+][C@@H]1CCC[C@H](O)[C@@H]2O ZINC000616575297 348525010 /nfs/dbraw/zinc/52/50/10/348525010.db2.gz JHLUARSBRCKCFI-DGADGQDISA-N 1 0 261.365 2.002 10 0 CEAERO CC(=O)N1CC2(C[C@@H]1Cc1ccccc1)CC[NH2+]CC2 ZINC000616578370 348525452 /nfs/dbraw/zinc/52/54/52/348525452.db2.gz LVLGRABLIWCJEE-INIZCTEOSA-N 1 0 272.392 2.220 10 0 CEAERO Cc1c(N[C@H](C)Cc2cccs2)nc[nH+]c1NN ZINC000087876662 179507708 /nfs/dbraw/zinc/50/77/08/179507708.db2.gz URNLRXNGPUSVIR-MRVPVSSYSA-N 1 0 263.370 2.175 10 0 CEAERO NNc1nc(NCc2ccc(Cl)s2)c(F)c[nH+]1 ZINC000087880110 179508183 /nfs/dbraw/zinc/50/81/83/179508183.db2.gz OMLYEMGCYCGERZ-UHFFFAOYSA-N 1 0 273.724 2.228 10 0 CEAERO Cc1nc(N[C@@H](C)c2nccs2)c(C)c(NN)[nH+]1 ZINC000087881386 179509454 /nfs/dbraw/zinc/50/94/54/179509454.db2.gz SLEMXJOVUNVOGW-ZETCQYMHSA-N 1 0 264.358 2.009 10 0 CEAERO CCOC(=O)c1cccc([C@@H]2CCCN(CC[NH3+])CC2)c1 ZINC000616602061 348530852 /nfs/dbraw/zinc/53/08/52/348530852.db2.gz RLZZUXNYRJCYMH-CQSZACIVSA-N 1 0 290.407 2.392 10 0 CEAERO CO[C@H]1CCCC[N@H+](CCNC(=O)OC(C)(C)C)C1 ZINC000616601896 348531385 /nfs/dbraw/zinc/53/13/85/348531385.db2.gz LPLMGYVXCAFSQG-LBPRGKRZSA-N 1 0 272.389 2.012 10 0 CEAERO CC(=O)Nc1ccccc1[C@H]1C[NH2+]CCN1C(C)(C)C ZINC000616602738 348531697 /nfs/dbraw/zinc/53/16/97/348531697.db2.gz BBUQKEYRCFKJPN-OAHLLOKOSA-N 1 0 275.396 2.390 10 0 CEAERO CC(=O)Nc1ccc([C@@H]2CCCC[N@H+](CCO)C2)cc1 ZINC000616605922 348532559 /nfs/dbraw/zinc/53/25/59/348532559.db2.gz ZVYHYDGIURKTQJ-OAHLLOKOSA-N 1 0 276.380 2.207 10 0 CEAERO Nc1cc([C@@H]2CC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000616612181 348534052 /nfs/dbraw/zinc/53/40/52/348534052.db2.gz VDUQAYJFYQKEAZ-OAHLLOKOSA-N 1 0 253.349 2.484 10 0 CEAERO [NH3+]CCN1CCCC[C@H]1c1ccc2ccnnc2c1 ZINC000616615794 348535200 /nfs/dbraw/zinc/53/52/00/348535200.db2.gz BIMHPMYVPJQGQT-HNNXBMFYSA-N 1 0 256.353 2.116 10 0 CEAERO [NH3+]CCN1CCC(c2cc3ccccc3cn2)CC1 ZINC000616619341 348536690 /nfs/dbraw/zinc/53/66/90/348536690.db2.gz HZUDONKFUYTRMJ-UHFFFAOYSA-N 1 0 255.365 2.373 10 0 CEAERO NNc1nc(NC[C@H]2CCCCS2)c(Cl)c[nH+]1 ZINC000087896244 179516085 /nfs/dbraw/zinc/51/60/85/179516085.db2.gz JTZYBWVNVQJGKD-SSDOTTSWSA-N 1 0 273.793 2.113 10 0 CEAERO CCn1cc(C[C@H]([NH2+]C)[C@H]2COc3ccccc3C2)cn1 ZINC000088021407 179536848 /nfs/dbraw/zinc/53/68/48/179536848.db2.gz MPRQGBQCNSLRQQ-CVEARBPZSA-N 1 0 285.391 2.285 10 0 CEAERO C[NH2+][C@H](Cc1cccnc1N)C1Cc2ccccc2C1 ZINC000088029484 179537076 /nfs/dbraw/zinc/53/70/76/179537076.db2.gz DKFBVNIXVARRFN-MRXNPFEDSA-N 1 0 267.376 2.209 10 0 CEAERO CC[C@@H]1CC[C@@]([NH3+])([C@@H]2CS(=O)(=O)c3ccccc32)C1 ZINC000088044804 179539395 /nfs/dbraw/zinc/53/93/95/179539395.db2.gz MXYYVUPCDPVCFW-KYOSRNDESA-N 1 0 279.405 2.465 10 0 CEAERO CCOC(=O)C[C@]1([NH+]2CCN(C)CC2)CCCC[C@H]1C ZINC000088046094 179539703 /nfs/dbraw/zinc/53/97/03/179539703.db2.gz IVXDBDPHJJLECU-GDBMZVCRSA-N 1 0 282.428 2.136 10 0 CEAERO C[C@@H]([NH3+])C[S@@](=O)Cc1cc(Br)ccc1F ZINC000088069819 179543942 /nfs/dbraw/zinc/54/39/42/179543942.db2.gz KKNAXPWOOOOKEX-MLXNANBUSA-N 1 0 294.189 2.184 10 0 CEAERO C[C@@H](C[NH3+])[S@](=O)Cc1cc(F)cc(Br)c1 ZINC000088067455 179544211 /nfs/dbraw/zinc/54/42/11/179544211.db2.gz VXTVDUDCIQVNRO-ZIDLFYJRSA-N 1 0 294.189 2.184 10 0 CEAERO c1cc(CC[NH2+]CC[C@@H]2CCCO2)cc2c1OCC2 ZINC000088101403 179547562 /nfs/dbraw/zinc/54/75/62/179547562.db2.gz YPDVKVOFYYCHAI-HNNXBMFYSA-N 1 0 261.365 2.323 10 0 CEAERO C[NH2+][C@H]1CCCc2c(OCCC(=O)OC)cccc21 ZINC000088151446 179557755 /nfs/dbraw/zinc/55/77/55/179557755.db2.gz JVGAITVUIHPGLJ-ZDUSSCGKSA-N 1 0 263.337 2.225 10 0 CEAERO COc1ccccc1C[C@@H](C)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000088193501 179562815 /nfs/dbraw/zinc/56/28/15/179562815.db2.gz RAXZBFGBYDXTCF-MFKMUULPSA-N 1 0 290.329 2.448 10 0 CEAERO c1cn([C@@H]2CC[N@H+](Cc3ccccc3)CCO2)cn1 ZINC000616664060 348554713 /nfs/dbraw/zinc/55/47/13/348554713.db2.gz MQHFWZDOJZVLKL-HNNXBMFYSA-N 1 0 257.337 2.304 10 0 CEAERO [NH3+]CCN1CCc2ccccc2[C@@H]1c1ccc(CCO)cc1 ZINC000616692368 348562715 /nfs/dbraw/zinc/56/27/15/348562715.db2.gz ORDFOZAGYNCOQT-IBGZPJMESA-N 1 0 296.414 2.128 10 0 CEAERO [NH3+]CCN1C[C@@H](c2cccc(CO)c2)Nc2ccccc21 ZINC000616693490 348562730 /nfs/dbraw/zinc/56/27/30/348562730.db2.gz VFSLWAJBEHLJMF-INIZCTEOSA-N 1 0 283.375 2.111 10 0 CEAERO CC(C)C[C@@H](C[NH3+])CC(=O)N1CCc2ccc(O)cc2C1 ZINC000088277436 179574410 /nfs/dbraw/zinc/57/44/10/179574410.db2.gz WZVZIPBVAILVHW-CYBMUJFWSA-N 1 0 290.407 2.288 10 0 CEAERO CC[C@H](NC(=O)[C@@H]1C[NH2+]Cc2ccccc21)C(C)C ZINC000087618695 539651722 /nfs/dbraw/zinc/65/17/22/539651722.db2.gz YLMRDSCMZHTGRY-CABCVRRESA-N 1 0 260.381 2.424 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H](C(=O)Nc2ccccc2OC(F)F)C1 ZINC000088449838 179605998 /nfs/dbraw/zinc/60/59/98/179605998.db2.gz AQOZBUVVWZNBHI-ZJUUUORDSA-N 1 0 284.306 2.472 10 0 CEAERO CC1CCC(CNC(=O)[C@H]2C[NH2+]C[C@@H](C)C2)CC1 ZINC000088451167 179606566 /nfs/dbraw/zinc/60/65/66/179606566.db2.gz VWXDDCLRVPZEDS-GNRIBBGQSA-N 1 0 252.402 2.175 10 0 CEAERO CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@]1(O)CCC[C@@H](C)C1 ZINC000088289970 179575517 /nfs/dbraw/zinc/57/55/17/179575517.db2.gz ANSMHYYWEKQPRS-IJEWVQPXSA-N 1 0 284.444 2.055 10 0 CEAERO [NH3+][C@H](Cc1ccccc1)[C@@H](O)COc1cc(F)cc(F)c1 ZINC000088398165 179591841 /nfs/dbraw/zinc/59/18/41/179591841.db2.gz PKOOQNSKDGDQRJ-CVEARBPZSA-N 1 0 293.313 2.275 10 0 CEAERO Nc1ccc(SC[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000088398478 179592200 /nfs/dbraw/zinc/59/22/00/179592200.db2.gz FNIPAQXXHHIKSA-JKSUJKDBSA-N 1 0 288.416 2.292 10 0 CEAERO CC(C)Cn1ncnc1C[C@]1([NH3+])CCc2ccccc21 ZINC000088606852 179636587 /nfs/dbraw/zinc/63/65/87/179636587.db2.gz UCDSJJLUOXHVTP-MRXNPFEDSA-N 1 0 270.380 2.277 10 0 CEAERO C[NH2+][C@H](Cc1ncnn1CC(C)C)Cc1ccccc1F ZINC000088611086 179638588 /nfs/dbraw/zinc/63/85/88/179638588.db2.gz IEDSRRKWKZQHAQ-AWEZNQCLSA-N 1 0 290.386 2.446 10 0 CEAERO CCn1ncnc1C[C@@H]([NH3+])Cc1ccccc1Cl ZINC000088611284 179638653 /nfs/dbraw/zinc/63/86/53/179638653.db2.gz XYBMWLUJGZCKQN-NSHDSACASA-N 1 0 264.760 2.064 10 0 CEAERO CC(C)Cn1ncnc1C[C@@H]([NH3+])[C@@H]1Cc2ccccc21 ZINC000088612624 179639052 /nfs/dbraw/zinc/63/90/52/179639052.db2.gz AFBRDMRAQNMBSW-HUUCEWRRSA-N 1 0 270.380 2.144 10 0 CEAERO CC[NH2+][C@H](Cc1ncnn1CC)Cc1ccc(F)cc1F ZINC000088612569 179639085 /nfs/dbraw/zinc/63/90/85/179639085.db2.gz MSWYNDJUGZPPAA-ZDUSSCGKSA-N 1 0 294.349 2.340 10 0 CEAERO CCn1ncnc1C[C@@H]([NH3+])c1ccc2ncccc2c1 ZINC000088612200 179639262 /nfs/dbraw/zinc/63/92/62/179639262.db2.gz WSYPVWYRTKIJOS-CYBMUJFWSA-N 1 0 267.336 2.089 10 0 CEAERO CCCn1ncnc1C[C@H]([NH3+])CS[C@H](C)CC ZINC000088612825 179639935 /nfs/dbraw/zinc/63/99/35/179639935.db2.gz KLRJHAOVXJZPNE-MNOVXSKESA-N 1 0 256.419 2.090 10 0 CEAERO C[NH2+][C@@H](C)c1c(C)nn(Cc2ncnn2CC(C)C)c1C ZINC000088622048 179641068 /nfs/dbraw/zinc/64/10/68/179641068.db2.gz ZASHLYUZTKIEAI-NSHDSACASA-N 1 0 290.415 2.076 10 0 CEAERO CCC[C@@H]1C[NH2+][C@](C)(CC)CN1Cc1ncnn1CCC ZINC000088625566 179642697 /nfs/dbraw/zinc/64/26/97/179642697.db2.gz WPBXIFWCOKFYET-GDBMZVCRSA-N 1 0 293.459 2.431 10 0 CEAERO C[C@H]1CCCCC[C@@H]1NC(=O)c1ccc(NN)[nH+]c1 ZINC000088517771 179617477 /nfs/dbraw/zinc/61/74/77/179617477.db2.gz ZIQMWZLPJKOAAH-JQWIXIFHSA-N 1 0 262.357 2.066 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc2cccnc21 ZINC000104214690 185933750 /nfs/dbraw/zinc/93/37/50/185933750.db2.gz ZRKOBRGMIZKFIR-JQWIXIFHSA-N 1 0 255.321 2.029 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1C(=O)c1cccc2cc[nH]c21 ZINC000088732322 179660073 /nfs/dbraw/zinc/66/00/73/179660073.db2.gz KHLRRLWZQKYMPX-CYBMUJFWSA-N 1 0 271.364 2.382 10 0 CEAERO CCc1nc(CC)n([C@H](c2ccc(OC)cc2)[C@H](C)[NH3+])n1 ZINC000088739522 179661552 /nfs/dbraw/zinc/66/15/52/179661552.db2.gz AMNBAPPPOOXDDV-ZBEGNZNMSA-N 1 0 288.395 2.348 10 0 CEAERO CCc1nc(CC)n([C@@H]2C[C@H](CC)CC[C@@H]2[NH3+])n1 ZINC000088741183 179662340 /nfs/dbraw/zinc/66/23/40/179662340.db2.gz KHTHCQFTFWZHCM-GRYCIOLGSA-N 1 0 250.390 2.481 10 0 CEAERO CCc1nc(CC)n([C@H](C)CCC[NH2+]C2CC2)n1 ZINC000088743960 179662703 /nfs/dbraw/zinc/66/27/03/179662703.db2.gz SNVTZYYDZPWZRS-LLVKDONJSA-N 1 0 250.390 2.496 10 0 CEAERO CCC[NH2+]CCCS(=O)(=O)NC1(C)CCCCC1 ZINC000089013301 179691347 /nfs/dbraw/zinc/69/13/47/179691347.db2.gz UHPPMIPJRPHSCI-UHFFFAOYSA-N 1 0 276.446 2.018 10 0 CEAERO CCCC1CCN(S(=O)(=O)CCCC[NH2+]CC)CC1 ZINC000089022905 179691663 /nfs/dbraw/zinc/69/16/63/179691663.db2.gz WECIPDPXQAGIQF-UHFFFAOYSA-N 1 0 290.473 2.218 10 0 CEAERO COCC[NH2+]CCCc1nnc([C@@H](C)C(C)C)s1 ZINC000088813261 179677431 /nfs/dbraw/zinc/67/74/31/179677431.db2.gz KUHAOCSQIOSKCB-NSHDSACASA-N 1 0 271.430 2.466 10 0 CEAERO Cc1cc2c(n1[C@@H]1C=CS(=O)(=O)C1)CC(C)(C)C[C@H]2[NH3+] ZINC000088859990 179684241 /nfs/dbraw/zinc/68/42/41/179684241.db2.gz VXIVZWLVWJOWSN-DGCLKSJQSA-N 1 0 294.420 2.252 10 0 CEAERO CCn1cc(Cl)cc1C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000089090793 179698275 /nfs/dbraw/zinc/69/82/75/179698275.db2.gz ZAWRPYCGPFWWOB-GXSJLCMTSA-N 1 0 269.776 2.019 10 0 CEAERO CCOc1cc(Oc2ccc(C[NH3+])cc2)nc(C)n1 ZINC000233812103 539682075 /nfs/dbraw/zinc/68/20/75/539682075.db2.gz VHLUJUFYBZETRP-UHFFFAOYSA-N 1 0 259.309 2.435 10 0 CEAERO C[C@@H](CC[NH+](C)C)Nc1ccc(F)cc1C(N)=S ZINC000104236825 185939906 /nfs/dbraw/zinc/93/99/06/185939906.db2.gz LXHUWCIFALHWPB-VIFPVBQESA-N 1 0 269.389 2.212 10 0 CEAERO CN(C(=O)c1n[nH]c2ccccc21)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089131902 179713520 /nfs/dbraw/zinc/71/35/20/179713520.db2.gz XMFVCUCJAZDWPP-RISCZKNCSA-N 1 0 286.379 2.152 10 0 CEAERO CC[C@H]([NH3+])Cc1c(N2CCSCC2)nc2sccn12 ZINC000104272462 185950446 /nfs/dbraw/zinc/95/04/46/185950446.db2.gz HADGKAGLHMGSEI-JTQLQIEISA-N 1 0 296.465 2.229 10 0 CEAERO CCN(C(=O)c1cccc(OC)c1)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089114602 179708880 /nfs/dbraw/zinc/70/88/80/179708880.db2.gz VJLIEFCEPMGGRI-DZGCQCFKSA-N 1 0 276.380 2.285 10 0 CEAERO CCN(C(=O)c1occc1C)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089114698 179708980 /nfs/dbraw/zinc/70/89/80/179708980.db2.gz IGCDATGNLCWAIU-NWDGAFQWSA-N 1 0 250.342 2.178 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1Nc1ccc2c(c1)CCC(=O)N2 ZINC000089149481 179725296 /nfs/dbraw/zinc/72/52/96/179725296.db2.gz GYKBJHUSEVZTBC-YPMHNXCESA-N 1 0 259.353 2.111 10 0 CEAERO Cc1nn(C)c(Oc2ccc(F)c(F)c2)c1CC[NH3+] ZINC000104288016 185955956 /nfs/dbraw/zinc/95/59/56/185955956.db2.gz CCUDTMSOOOVMGC-UHFFFAOYSA-N 1 0 267.279 2.300 10 0 CEAERO Cn1nc(COC2CCC([NH3+])CC2)c2ccccc21 ZINC000089175172 179740417 /nfs/dbraw/zinc/74/04/17/179740417.db2.gz LFSLZPSAUQZCAV-UHFFFAOYSA-N 1 0 259.353 2.360 10 0 CEAERO CCc1cc(CN2C[C@@H](CC)[NH2+]C[C@@H]2CC)n(CC)n1 ZINC000089188612 179748692 /nfs/dbraw/zinc/74/86/92/179748692.db2.gz FQBNVLDLOBPILY-CABCVRRESA-N 1 0 278.444 2.428 10 0 CEAERO C[C@H]([NH2+]CC(F)F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400476609 233179382 /nfs/dbraw/zinc/17/93/82/233179382.db2.gz ZZZSBXWRUAJIMO-VHSXEESVSA-N 1 0 278.343 2.487 10 0 CEAERO COc1ccc([C@H](C)N[C@H](C)[C@@H]2CCC[NH2+]2)cc1OC ZINC000400456556 233179585 /nfs/dbraw/zinc/17/95/85/233179585.db2.gz SQMWCILNMTYXKD-SCRDCRAPSA-N 1 0 278.396 2.495 10 0 CEAERO COc1ccc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c(C)c1 ZINC000089461850 539719213 /nfs/dbraw/zinc/71/92/13/539719213.db2.gz UCMXSIPJKPYFET-DGCLKSJQSA-N 1 0 262.353 2.317 10 0 CEAERO CC[NH2+][C@@H](Cc1c(Cl)c(C)nn1C)[C@@H](C)OCC ZINC000089251816 179760764 /nfs/dbraw/zinc/76/07/64/179760764.db2.gz QZLBJYOPWJKOKB-MNOVXSKESA-N 1 0 273.808 2.328 10 0 CEAERO CC[NH2+][C@@H](Cc1csc(C)n1)[C@@H]1CCCOC1 ZINC000089252230 179761007 /nfs/dbraw/zinc/76/10/07/179761007.db2.gz WEZJITZENKTUFJ-YPMHNXCESA-N 1 0 254.399 2.399 10 0 CEAERO CCC[NH2+]Cc1cn(Cc2c(Cl)c(C)nn2C)nc1C ZINC000089256883 179761420 /nfs/dbraw/zinc/76/14/20/179761420.db2.gz YBNZJUQKZIHDRN-UHFFFAOYSA-N 1 0 295.818 2.435 10 0 CEAERO C[C@H]1C[C@H](O)C[N@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000401490732 233182843 /nfs/dbraw/zinc/18/28/43/233182843.db2.gz GORJLOQBMVMHRR-FZMZJTMJSA-N 1 0 296.798 2.371 10 0 CEAERO CCc1cc(C[C@H](Cc2ccccc2F)[NH2+]C)n(C)n1 ZINC000089193674 179749659 /nfs/dbraw/zinc/74/96/59/179749659.db2.gz JBVCMJHTEHWYSP-AWEZNQCLSA-N 1 0 275.371 2.495 10 0 CEAERO CCc1cc(C[C@H]([NH3+])Cc2nc(C)cs2)n(CC)n1 ZINC000089194303 179750659 /nfs/dbraw/zinc/75/06/59/179750659.db2.gz JAQWJPQYNACUAE-NSHDSACASA-N 1 0 278.425 2.343 10 0 CEAERO CCC[NH2+][C@@H](Cc1cc(C)nn1CC)[C@H]1CCCO1 ZINC000089199331 179752224 /nfs/dbraw/zinc/75/22/24/179752224.db2.gz BXTXYXLVRMCCLM-LSDHHAIUSA-N 1 0 265.401 2.301 10 0 CEAERO C[NH2+][C@H](Cc1cc(C)nn1C)[C@@H]1CCOc2ccccc21 ZINC000089200726 179752273 /nfs/dbraw/zinc/75/22/73/179752273.db2.gz OHZZPDIDCXTZEG-GDBMZVCRSA-N 1 0 285.391 2.425 10 0 CEAERO CN(Cc1ccc(F)cc1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089450883 539716392 /nfs/dbraw/zinc/71/63/92/539716392.db2.gz NWOKHZZZHUKEPX-GXTWGEPZSA-N 1 0 264.344 2.159 10 0 CEAERO CCC(=O)Nc1ccc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089453161 539716594 /nfs/dbraw/zinc/71/65/94/539716594.db2.gz YEJODFYMEIYADB-RISCZKNCSA-N 1 0 289.379 2.349 10 0 CEAERO CCOCc1ccccc1CNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089454548 539716665 /nfs/dbraw/zinc/71/66/65/539716665.db2.gz GFQUOTHYFPOERD-XJKSGUPXSA-N 1 0 290.407 2.214 10 0 CEAERO CCN(CC)c1ccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])cn1 ZINC000089452527 539717139 /nfs/dbraw/zinc/71/71/39/539717139.db2.gz FKLDIXAVRSWKQT-JSGCOSHPSA-N 1 0 290.411 2.241 10 0 CEAERO CCOc1cccc(CNC(=O)[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000089454400 539717176 /nfs/dbraw/zinc/71/71/76/539717176.db2.gz OBXXZJGUHLKODL-ZFWWWQNUSA-N 1 0 276.380 2.077 10 0 CEAERO CC1CCC(N(C)C(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089456052 539717253 /nfs/dbraw/zinc/71/72/53/539717253.db2.gz CNBJWWRWSFZFDF-GNRIBBGQSA-N 1 0 252.402 2.399 10 0 CEAERO Cc1cccc(CN(C)C(=O)[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089456307 539717607 /nfs/dbraw/zinc/71/76/07/539717607.db2.gz AMXHAXOPWYZLBG-CABCVRRESA-N 1 0 260.381 2.328 10 0 CEAERO Cc1cc(CN2CC[NH2+][C@H](C3CCCCC3)C2)n(C)n1 ZINC000089208541 179754703 /nfs/dbraw/zinc/75/47/03/179754703.db2.gz RZCVMQYJGXLCPB-INIZCTEOSA-N 1 0 276.428 2.083 10 0 CEAERO CCc1cc(CN2CC(C)(C)[NH2+]C[C@@H]2C(C)C)n(C)n1 ZINC000089209430 179755133 /nfs/dbraw/zinc/75/51/33/179755133.db2.gz BYVNQIIGCPFIGS-OAHLLOKOSA-N 1 0 278.444 2.191 10 0 CEAERO CC[C@H](C)[C@@H]1C[NH2+]C(C)(C)CN1Cc1cc(C)nn1C ZINC000089209475 179755203 /nfs/dbraw/zinc/75/52/03/179755203.db2.gz CDUYJORNCIVOOM-WFASDCNBSA-N 1 0 278.444 2.327 10 0 CEAERO CCc1cc(CN2C[C@](C)(C3CC3)[NH2+]CC2(C)C)n(C)n1 ZINC000089210820 179755940 /nfs/dbraw/zinc/75/59/40/179755940.db2.gz PHNAGLHDCASKKU-QGZVFWFLSA-N 1 0 290.455 2.335 10 0 CEAERO C[C@H](COCc1ccccc1)N[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400321122 233176270 /nfs/dbraw/zinc/17/62/70/233176270.db2.gz BVJDZWLWTFYRHZ-FMKPAKJESA-N 1 0 262.397 2.322 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCC(C(F)(F)F)CC1 ZINC000089482501 539719989 /nfs/dbraw/zinc/71/99/89/539719989.db2.gz CTQXIQKZTQCCBW-ONGXEEELSA-N 1 0 278.318 2.162 10 0 CEAERO Cc1nn(C)c(CN2CC[NH2+]C3(CCCCC3)C2)c1Cl ZINC000089270170 179763041 /nfs/dbraw/zinc/76/30/41/179763041.db2.gz SEUVFAXGLWMBGQ-UHFFFAOYSA-N 1 0 296.846 2.490 10 0 CEAERO CC(C)n1nccc1NC(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089385821 179777571 /nfs/dbraw/zinc/77/75/71/179777571.db2.gz SOIHGBJJFYPWTB-NWDGAFQWSA-N 1 0 264.373 2.168 10 0 CEAERO COc1cccc(CN(C)C(=O)[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000089390765 179778561 /nfs/dbraw/zinc/77/85/61/179778561.db2.gz FKEOXZBEOJLECX-HOCLYGCPSA-N 1 0 290.407 2.419 10 0 CEAERO Cc1cccc(CNC(=O)[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000089390376 179779012 /nfs/dbraw/zinc/77/90/12/179779012.db2.gz VJUCIYOVJPDOQA-GJZGRUSLSA-N 1 0 260.381 2.376 10 0 CEAERO Cc1occc1CN(C)C(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089396130 179780171 /nfs/dbraw/zinc/78/01/71/179780171.db2.gz GGXMHHGYXQWTPT-GXTWGEPZSA-N 1 0 264.369 2.312 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000089448948 179791634 /nfs/dbraw/zinc/79/16/34/179791634.db2.gz QLZHYZKWXXSPRK-AAEUAGOBSA-N 1 0 290.363 2.161 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCc1ccccc1Cl ZINC000089449087 179791807 /nfs/dbraw/zinc/79/18/07/179791807.db2.gz SLKAPNCNIKSBAD-JQWIXIFHSA-N 1 0 266.772 2.331 10 0 CEAERO CN(CC1CCCCC1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089457330 179794642 /nfs/dbraw/zinc/79/46/42/179794642.db2.gz SIPYICRDCFZWFG-KBPBESRZSA-N 1 0 252.402 2.400 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCCc1cccc(Cl)c1 ZINC000089459812 179795225 /nfs/dbraw/zinc/79/52/25/179795225.db2.gz GWBADRPTKNISAQ-GXTWGEPZSA-N 1 0 280.799 2.374 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1cccc(F)c1F ZINC000089458426 179795287 /nfs/dbraw/zinc/79/52/87/179795287.db2.gz DVHAISLJZKQVPK-IUCAKERBSA-N 1 0 254.280 2.278 10 0 CEAERO Cc1ccccc1CC(=O)NC[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089531288 179811260 /nfs/dbraw/zinc/81/12/60/179811260.db2.gz BNPXRPFRNXUWED-CVEARBPZSA-N 1 0 274.408 2.419 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1CNC(=O)c1cc(F)cc(F)c1 ZINC000089531924 179811357 /nfs/dbraw/zinc/81/13/57/179811357.db2.gz HZOZZOVYLRJULE-QWRGUYRKSA-N 1 0 282.334 2.460 10 0 CEAERO CS(=O)(=O)c1ccccc1NC[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089532378 179811849 /nfs/dbraw/zinc/81/18/49/179811849.db2.gz ASZXEVYXTBQSEI-STQMWFEESA-N 1 0 296.436 2.267 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1COc1ncnc2sccc21 ZINC000089538877 179813886 /nfs/dbraw/zinc/81/38/86/179813886.db2.gz CISHQQGWDTZIRC-ZJUUUORDSA-N 1 0 263.366 2.445 10 0 CEAERO CC(C)[NH2+]C[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000089556567 179815994 /nfs/dbraw/zinc/81/59/94/179815994.db2.gz KRMGWTHSEYVFSM-LBPRGKRZSA-N 1 0 284.425 2.038 10 0 CEAERO Cc1nc2ccccn2c1C[NH2+]C[C@@H]1CCC[C@H]1CO ZINC000089489875 179802351 /nfs/dbraw/zinc/80/23/51/179802351.db2.gz VLMAAQMRANFKKK-KBPBESRZSA-N 1 0 273.380 2.141 10 0 CEAERO Cc1cc(C(=O)NC[C@H]2CCC[C@H]2C[NH3+])c(C)o1 ZINC000089500489 179804907 /nfs/dbraw/zinc/80/49/07/179804907.db2.gz RAOQOUPAGBJPFO-NWDGAFQWSA-N 1 0 250.342 2.001 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1CNc1nccc(C(F)(F)F)n1 ZINC000089501383 179805385 /nfs/dbraw/zinc/80/53/85/179805385.db2.gz LMPPWMLXYKSIDL-DTWKUNHWSA-N 1 0 274.290 2.282 10 0 CEAERO OC[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000089505044 179806486 /nfs/dbraw/zinc/80/64/86/179806486.db2.gz GQQZCJGYCLPSLT-KGLIPLIRSA-N 1 0 277.364 2.304 10 0 CEAERO COc1ccccc1OCC[NH2+]C[C@@H]1CCCC[C@H]1CO ZINC000089530084 179810321 /nfs/dbraw/zinc/81/03/21/179810321.db2.gz KFOMOORKFBVLKT-GJZGRUSLSA-N 1 0 293.407 2.462 10 0 CEAERO C[C@@](O)(CO)C[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000090284939 179949084 /nfs/dbraw/zinc/94/90/84/179949084.db2.gz KBKKOYXLIBUREM-KBPBESRZSA-N 1 0 269.410 2.312 10 0 CEAERO CCn1cncc1COc1c(C[NH2+]C)cccc1OC ZINC000090235471 179936852 /nfs/dbraw/zinc/93/68/52/179936852.db2.gz NTGQJTLQUKZXAK-UHFFFAOYSA-N 1 0 275.352 2.210 10 0 CEAERO CC[NH2+]C[C@@H]1CCCCN1Cc1cncn1C1CC1 ZINC000090237833 179937871 /nfs/dbraw/zinc/93/78/71/179937871.db2.gz ZUTRHZYNQGTFKM-AWEZNQCLSA-N 1 0 262.401 2.182 10 0 CEAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)C1CCCCCC1 ZINC000090330986 179962271 /nfs/dbraw/zinc/96/22/71/179962271.db2.gz BHFAYGNISMKFBD-RBSFLKMASA-N 1 0 264.413 2.413 10 0 CEAERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)Cc1ccccc1Cl ZINC000090336335 179965117 /nfs/dbraw/zinc/96/51/17/179965117.db2.gz JFDXDNLOIOFQLI-CHWSQXEVSA-N 1 0 292.810 2.339 10 0 CEAERO CC1(C)[C@H]2C[NH2+]C[C@H]2CN1C(=O)CCc1ccccc1 ZINC000090336489 179965324 /nfs/dbraw/zinc/96/53/24/179965324.db2.gz CFNNXLLYFKJBKX-GJZGRUSLSA-N 1 0 272.392 2.076 10 0 CEAERO CCN(C(=O)CSCCC[NH3+])C1=CCCCC1 ZINC000090344917 179970073 /nfs/dbraw/zinc/97/00/73/179970073.db2.gz BZXIYIJZSBKSTH-UHFFFAOYSA-N 1 0 256.415 2.375 10 0 CEAERO CCN(C(C)=O)c1nc(CSCC[C@@H](C)[NH3+])cs1 ZINC000090346620 179970490 /nfs/dbraw/zinc/97/04/90/179970490.db2.gz KJOBJAPNQLPZTK-SECBINFHSA-N 1 0 287.454 2.486 10 0 CEAERO C[C@H](C[NH3+])CSCc1nnc(-c2ccco2)o1 ZINC000090351075 179972925 /nfs/dbraw/zinc/97/29/25/179972925.db2.gz SZHANDXALBPQLN-MRVPVSSYSA-N 1 0 253.327 2.158 10 0 CEAERO C[C@H](CC[NH3+])SC[C@@H]1COc2ccccc2O1 ZINC000090354501 179973490 /nfs/dbraw/zinc/97/34/90/179973490.db2.gz HQMYGBBBZMAKMO-MNOVXSKESA-N 1 0 253.367 2.297 10 0 CEAERO C[C@@H](NC(=O)CS[C@@H](C)CC[NH3+])c1ccc(F)cc1 ZINC000090355048 179974046 /nfs/dbraw/zinc/97/40/46/179974046.db2.gz JBPQDCCSEGEXNT-WDEREUQCSA-N 1 0 284.400 2.473 10 0 CEAERO C[C@H](CC[NH3+])SCC(=O)Nc1ccc(F)c(F)c1 ZINC000090355019 179974505 /nfs/dbraw/zinc/97/45/05/179974505.db2.gz ZDQMXTUOSADRSU-MRVPVSSYSA-N 1 0 274.336 2.374 10 0 CEAERO CC(C)[NH2+]Cc1cn(-c2cc(F)cc(F)c2F)nn1 ZINC000090300233 179954328 /nfs/dbraw/zinc/95/43/28/179954328.db2.gz HGJLEPGYEQJNSE-UHFFFAOYSA-N 1 0 270.258 2.183 10 0 CEAERO CC[NH2+][C@@H]1COC[C@@H]1c1nc2cc(C)c(C)cc2[nH]1 ZINC000090472726 179989242 /nfs/dbraw/zinc/98/92/42/179989242.db2.gz OIADMWLDQBLSCS-SMDDNHRTSA-N 1 0 259.353 2.272 10 0 CEAERO CC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1cccc2c1CCCC2 ZINC000090487343 179991519 /nfs/dbraw/zinc/99/15/19/179991519.db2.gz FPZFRBOGFXEOCI-HOCLYGCPSA-N 1 0 288.391 2.128 10 0 CEAERO O[C@H]1COCC[C@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000623764895 350106614 /nfs/dbraw/zinc/10/66/14/350106614.db2.gz LJDBJVAMXSOUBQ-NEPJUHHUSA-N 1 0 276.163 2.233 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)N(CC)c1ccccc1 ZINC000090539147 180000458 /nfs/dbraw/zinc/00/04/58/180000458.db2.gz VRVNXFPGFYAYBK-CABCVRRESA-N 1 0 276.380 2.054 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)N[C@@H](C)c1ccccc1C ZINC000090543501 180001100 /nfs/dbraw/zinc/00/11/00/180001100.db2.gz VBMYTRYHQOIMIZ-IMJJTQAJSA-N 1 0 290.407 2.187 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)N[C@@H](C)C1CCCCC1 ZINC000090544675 180001211 /nfs/dbraw/zinc/00/12/11/180001211.db2.gz CYGLJMKTHAABKN-NWANDNLSSA-N 1 0 282.428 2.086 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)N(CC)c1cccc(C)c1 ZINC000090542712 180001230 /nfs/dbraw/zinc/00/12/30/180001230.db2.gz OJMPLLZPOLGDLN-CVEARBPZSA-N 1 0 290.407 2.363 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)N1CCCC(C)(C)CC1 ZINC000090546382 180001302 /nfs/dbraw/zinc/00/13/02/180001302.db2.gz ZPPFQEBALZNOMO-KBPBESRZSA-N 1 0 282.428 2.040 10 0 CEAERO C[NH2+]Cc1cccnc1N(C)Cc1scnc1C ZINC000104436088 186001414 /nfs/dbraw/zinc/00/14/14/186001414.db2.gz GYQPHQDTDYEECD-UHFFFAOYSA-N 1 0 262.382 2.202 10 0 CEAERO COc1ccc(OC)c(CSCC2C[NH2+]C2)c1 ZINC000090712490 180028693 /nfs/dbraw/zinc/02/86/93/180028693.db2.gz UOAODLGEJTUTDA-UHFFFAOYSA-N 1 0 253.367 2.156 10 0 CEAERO C[C@]1(c2nc(-c3ccc(Cl)cc3)no2)COC[C@H]1[NH3+] ZINC000090573124 180007208 /nfs/dbraw/zinc/00/72/08/180007208.db2.gz BYWCLPGYUDPPHL-MFKMUULPSA-N 1 0 279.727 2.005 10 0 CEAERO C[C@@]1(c2nc3cc(F)ccc3n2C2CC2)COC[C@@H]1[NH3+] ZINC000090571729 180007338 /nfs/dbraw/zinc/00/73/38/180007338.db2.gz SGYDVISRESMZKC-DZGCQCFKSA-N 1 0 275.327 2.126 10 0 CEAERO C[C@@]1(c2nc(-c3cccc(Cl)c3)no2)COC[C@@H]1[NH3+] ZINC000090573285 180008015 /nfs/dbraw/zinc/00/80/15/180008015.db2.gz JEQHBEYUJCRTPO-GXFFZTMASA-N 1 0 279.727 2.005 10 0 CEAERO CCC(C)(C)C1CCC(NC(=O)[C@@]2(C)COC[C@@H]2[NH3+])CC1 ZINC000090585350 180009687 /nfs/dbraw/zinc/00/96/87/180009687.db2.gz UBVAVMBBFSMJLF-QKRUXVEJSA-N 1 0 296.455 2.461 10 0 CEAERO CC(C)COc1ccccc1NC(=O)[C@]1(C)COC[C@@H]1[NH3+] ZINC000090590041 180010048 /nfs/dbraw/zinc/01/00/48/180010048.db2.gz OXZNMWMZTRNHLL-GOEBONIOSA-N 1 0 292.379 2.024 10 0 CEAERO Nc1[nH+]c2ccccc2n1CCOCC(F)(F)F ZINC000104439086 186001998 /nfs/dbraw/zinc/00/19/98/186001998.db2.gz XNAUCDKVQPYNKG-UHFFFAOYSA-N 1 0 259.231 2.197 10 0 CEAERO c1ccc(-c2nnc(CSCC3C[NH2+]C3)o2)cc1 ZINC000090712039 180028873 /nfs/dbraw/zinc/02/88/73/180028873.db2.gz NLUVHAYBVJRMGN-UHFFFAOYSA-N 1 0 261.350 2.189 10 0 CEAERO COC(C[C@H](C[NH3+])N(Cc1cccs1)C(C)C)OC ZINC000090625191 180015864 /nfs/dbraw/zinc/01/58/64/180015864.db2.gz QUDPDPMZAYOAMR-GFCCVEGCSA-N 1 0 286.441 2.295 10 0 CEAERO CCN(c1cccc(C)c1)[C@H](C[NH3+])CC(OC)OC ZINC000090625100 180015890 /nfs/dbraw/zinc/01/58/90/180015890.db2.gz WCYRJJSDRHTWET-AWEZNQCLSA-N 1 0 266.385 2.158 10 0 CEAERO COC(C[C@@H](C[NH3+])N(C)Cc1ccccc1Cl)OC ZINC000090625118 180016043 /nfs/dbraw/zinc/01/60/43/180016043.db2.gz IMBLNTLXKUMISV-LBPRGKRZSA-N 1 0 286.803 2.108 10 0 CEAERO C[C@@H](OC[C@@H]([NH3+])c1ccc2c(c1)OCO2)C(F)(F)F ZINC000090672243 180020889 /nfs/dbraw/zinc/02/08/89/180020889.db2.gz XQMRDBFBKIRLEX-VXNVDRBHSA-N 1 0 277.242 2.383 10 0 CEAERO CCC[NH2+][C@@](CO)(CO[C@@H](C)C(F)(F)F)C1CC1 ZINC000090675970 180022582 /nfs/dbraw/zinc/02/25/82/180022582.db2.gz FFQVXAQWFMPPTG-ONGXEEELSA-N 1 0 269.307 2.095 10 0 CEAERO C[NH2+][C@](CO)(CO[C@H](C)C(F)(F)F)c1ccccc1 ZINC000090676025 180022644 /nfs/dbraw/zinc/02/26/44/180022644.db2.gz YKSQOMXJDRTPGN-ZYHUDNBSSA-N 1 0 277.286 2.061 10 0 CEAERO CCCCC(=O)N1CCCSC[C@@H]1C[NH+](C)C ZINC000090699750 180027750 /nfs/dbraw/zinc/02/77/50/180027750.db2.gz UQCRYUIDSWUDRV-LBPRGKRZSA-N 1 0 258.431 2.072 10 0 CEAERO C/C=C/C(=O)N1CCCSC[C@@H]1C[NH+]1CCCCC1 ZINC000090701292 180027800 /nfs/dbraw/zinc/02/78/00/180027800.db2.gz BOERPMNQJLDSHV-NOYTZHBZSA-N 1 0 282.453 2.383 10 0 CEAERO C[NH+](C)C[C@@H]1CSCCCN1C(=O)c1ccc(F)cc1 ZINC000090699848 180027915 /nfs/dbraw/zinc/02/79/15/180027915.db2.gz QMRSUDLAFDFNDX-CQSZACIVSA-N 1 0 296.411 2.335 10 0 CEAERO CCCOc1cc(N[C@@H]2CCCC[C@H]2C[NH3+])ncn1 ZINC000090785280 180040271 /nfs/dbraw/zinc/04/02/71/180040271.db2.gz PLDNQKVWAAQWJK-NWDGAFQWSA-N 1 0 264.373 2.195 10 0 CEAERO CCCOc1cc(Nc2cccc(OCC[NH3+])c2)ncn1 ZINC000090785169 180040308 /nfs/dbraw/zinc/04/03/08/180040308.db2.gz IYUJCVUIGQCBDI-UHFFFAOYSA-N 1 0 288.351 2.347 10 0 CEAERO CC(C)C[C@H](C[NH3+])Nc1cc(OC(C)C)ncn1 ZINC000090786140 180040873 /nfs/dbraw/zinc/04/08/73/180040873.db2.gz KIRYYAGTWWZJNR-LLVKDONJSA-N 1 0 252.362 2.049 10 0 CEAERO CC(C)Oc1cc(N[C@H](C[NH3+])c2ccccc2)ncn1 ZINC000090786636 180040970 /nfs/dbraw/zinc/04/09/70/180040970.db2.gz JGZWMUGTXQSJRZ-CYBMUJFWSA-N 1 0 272.352 2.376 10 0 CEAERO Cc1ccc(C[NH3+])cc1NS(=O)(=O)CCC(C)C ZINC000104446791 186004959 /nfs/dbraw/zinc/00/49/59/186004959.db2.gz BMKSRUYNGGXDQU-UHFFFAOYSA-N 1 0 270.398 2.242 10 0 CEAERO CCOc1cc(N[C@@H]2CCCC[C@@H]2C[NH3+])nc(C)n1 ZINC000090787960 180041308 /nfs/dbraw/zinc/04/13/08/180041308.db2.gz KAZUKYHANWVZOX-VXGBXAGGSA-N 1 0 264.373 2.113 10 0 CEAERO COc1ncnc(NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1C ZINC000090790859 180041822 /nfs/dbraw/zinc/04/18/22/180041822.db2.gz MYQOVDARTRTDJR-YHWZYXNKSA-N 1 0 276.384 2.078 10 0 CEAERO CCOc1ncnc(NC[C@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000090790783 180041944 /nfs/dbraw/zinc/04/19/44/180041944.db2.gz VYROPVRQAUFQGZ-GFCCVEGCSA-N 1 0 276.384 2.080 10 0 CEAERO CCOc1cc(N[C@@H](C[NH+](C)C)C(C)C)nc(C)n1 ZINC000090792138 180042807 /nfs/dbraw/zinc/04/28/07/180042807.db2.gz VVBCSMKRMIMBRK-LBPRGKRZSA-N 1 0 266.389 2.182 10 0 CEAERO C[C@@H](C[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2)[S@](C)=O ZINC000090841659 180043864 /nfs/dbraw/zinc/04/38/64/180043864.db2.gz JKMAWJVUGZMOBU-JOOBJXAISA-N 1 0 297.420 2.266 10 0 CEAERO C[NH2+][C@H]1C[C@H](Oc2c(OC)cccc2OC)C1(C)C ZINC000090839359 180043947 /nfs/dbraw/zinc/04/39/47/180043947.db2.gz PGLGXYOUQAFPRF-STQMWFEESA-N 1 0 265.353 2.469 10 0 CEAERO CCC1(CC)[C@H]([NH3+])C[C@@H]1Oc1c(C)nn(C)c1C ZINC000090865713 180047714 /nfs/dbraw/zinc/04/77/14/180047714.db2.gz XBQIFLMVRLYCSF-NEPJUHHUSA-N 1 0 251.374 2.322 10 0 CEAERO CC[NH2+]Cc1cccc(SCCCC(=O)NC)c1 ZINC000090871198 180049176 /nfs/dbraw/zinc/04/91/76/180049176.db2.gz AXIKVOBHHQELPU-UHFFFAOYSA-N 1 0 266.410 2.414 10 0 CEAERO C[NH2+]Cc1cccc(SC[C@H](O)COC(C)C)c1 ZINC000090870945 180049518 /nfs/dbraw/zinc/04/95/18/180049518.db2.gz QBCPPOMQUQBBBZ-CYBMUJFWSA-N 1 0 269.410 2.284 10 0 CEAERO CC(C)[N@@H+]1CCO[C@@H](CSc2cccc(CO)c2)C1 ZINC000090873314 180050168 /nfs/dbraw/zinc/05/01/68/180050168.db2.gz ZRTYQHIHAVPVPE-CQSZACIVSA-N 1 0 281.421 2.380 10 0 CEAERO C[C@@H](C[NH2+]C[C@H]1Cc2ccccc2O1)N1CCCCC1 ZINC000090874494 180050352 /nfs/dbraw/zinc/05/03/52/180050352.db2.gz NIGDMZBWNQNZPG-GOEBONIOSA-N 1 0 274.408 2.454 10 0 CEAERO CC(C)[NH2+]Cc1nccn1C[C@H]1Cc2ccccc2O1 ZINC000090876353 180051791 /nfs/dbraw/zinc/05/17/91/180051791.db2.gz FUPAAGJRDWANNA-CQSZACIVSA-N 1 0 271.364 2.385 10 0 CEAERO CC[NH2+]C[C@]1(C[C@H]2Cc3ccccc3O2)CCOC1 ZINC000090877312 180052015 /nfs/dbraw/zinc/05/20/15/180052015.db2.gz KQDKILNUWDPIJS-GDBMZVCRSA-N 1 0 261.365 2.396 10 0 CEAERO CC[C@](C)(C[NH3+])OC[C@H]1Cc2cc(F)ccc2O1 ZINC000090878963 180053330 /nfs/dbraw/zinc/05/33/30/180053330.db2.gz BPODDDLNYQIUEA-TZMCWYRMSA-N 1 0 253.317 2.273 10 0 CEAERO CCC(CC)(CO)[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892693 180054987 /nfs/dbraw/zinc/05/49/87/180054987.db2.gz LZRXNTYMOPEXRX-ZDUSSCGKSA-N 1 0 267.344 2.270 10 0 CEAERO C[NH2+]C[C@@H]1CCCCN1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893493 180055017 /nfs/dbraw/zinc/05/50/17/180055017.db2.gz HOSLMAXNFTZBES-GJZGRUSLSA-N 1 0 278.371 2.203 10 0 CEAERO NC(=[NH2+])c1ccc(OC[C@@H]2Cc3cc(F)ccc3O2)cc1 ZINC000090893391 180055321 /nfs/dbraw/zinc/05/53/21/180055321.db2.gz MERHLTYUTLALDL-AWEZNQCLSA-N 1 0 286.306 2.492 10 0 CEAERO CCC[NH2+]CCN(C)C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893531 180055425 /nfs/dbraw/zinc/05/54/25/180055425.db2.gz MUOYPMYURFEWOI-AWEZNQCLSA-N 1 0 266.360 2.061 10 0 CEAERO [NH3+]CC1(C[C@@H]2Cc3cc(F)ccc3O2)CCOCC1 ZINC000090895196 180056052 /nfs/dbraw/zinc/05/60/52/180056052.db2.gz WXGLZWCCVNYXHN-ZDUSSCGKSA-N 1 0 265.328 2.275 10 0 CEAERO CC(C)[C@H]1CN(C[C@@H]2Cc3cc(F)ccc3O2)CC[NH2+]1 ZINC000090896100 180056093 /nfs/dbraw/zinc/05/60/93/180056093.db2.gz VTANLWRPUSXRRK-LSDHHAIUSA-N 1 0 278.371 2.059 10 0 CEAERO CC[NH2+]Cc1ccn(C[C@H]2Cc3cc(F)ccc3O2)n1 ZINC000090895620 180056436 /nfs/dbraw/zinc/05/64/36/180056436.db2.gz XILXNRMMZBGGDW-CQSZACIVSA-N 1 0 275.327 2.135 10 0 CEAERO CC1(C)CN(C[C@H]2Cc3cc(F)ccc3O2)CCC[NH2+]1 ZINC000090896188 180056650 /nfs/dbraw/zinc/05/66/50/180056650.db2.gz GHQXNRKCXHZDSH-CQSZACIVSA-N 1 0 278.371 2.203 10 0 CEAERO [NH3+]C[C@]1(C[C@H]2Cc3cc(F)ccc3O2)CCC[C@@H]1O ZINC000090896389 180056761 /nfs/dbraw/zinc/05/67/61/180056761.db2.gz MZCFSDMJWSVDAW-VHDGCEQUSA-N 1 0 265.328 2.009 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](CN(C)c1cc[nH+]cc1N)O2 ZINC000090898998 180058086 /nfs/dbraw/zinc/05/80/86/180058086.db2.gz DNIHHCAJOKOYBE-ZDUSSCGKSA-N 1 0 269.348 2.412 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](CN1CCCC[C@@H]1C[NH3+])O2 ZINC000090898912 180058431 /nfs/dbraw/zinc/05/84/31/180058431.db2.gz QVWJLFPACGGOOR-CABCVRRESA-N 1 0 260.381 2.112 10 0 CEAERO OCC[N@H+](C[C@@H]1Cc2cc(Cl)ccc2O1)C1CC1 ZINC000090900902 180058529 /nfs/dbraw/zinc/05/85/29/180058529.db2.gz LBJBWYIFLYZJIX-ZDUSSCGKSA-N 1 0 267.756 2.100 10 0 CEAERO [NH3+][C@H]1CCCN(C[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000090900058 180058757 /nfs/dbraw/zinc/05/87/57/180058757.db2.gz MCUZNJKXJUBTSE-STQMWFEESA-N 1 0 266.772 2.067 10 0 CEAERO Cc1nn(C[C@H]2Cc3cc(C)ccc3O2)c(C)c1C[NH3+] ZINC000090900407 180059204 /nfs/dbraw/zinc/05/92/04/180059204.db2.gz FSCSRGHCGXRTOB-CQSZACIVSA-N 1 0 271.364 2.271 10 0 CEAERO Cc1ccc2c(c1)C[C@H](CN1CCC[NH2+][C@H](C3CC3)C1)O2 ZINC000090902513 180060022 /nfs/dbraw/zinc/06/00/22/180060022.db2.gz ULZXWNRKKGNAJQ-SJORKVTESA-N 1 0 286.419 2.372 10 0 CEAERO [NH3+]CC1(N2C[C@H]3CC[C@@H](C2)O3)CCC(C(F)(F)F)CC1 ZINC000090905911 180060873 /nfs/dbraw/zinc/06/08/73/180060873.db2.gz VFDKOQMTNWPNJB-UNTZMWQOSA-N 1 0 292.345 2.300 10 0 CEAERO CCc1ccc([C@H](O)CN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090906985 180061230 /nfs/dbraw/zinc/06/12/30/180061230.db2.gz IOBGEILIJDEYCI-OWCLPIDISA-N 1 0 261.365 2.146 10 0 CEAERO CC[NH2+][C@H](C)c1sc(N2C[C@H]3CC[C@@H](C2)O3)nc1C ZINC000090908135 180062266 /nfs/dbraw/zinc/06/22/66/180062266.db2.gz LRAVXSRZNSJFLD-JLLWLGSASA-N 1 0 281.425 2.490 10 0 CEAERO CC(C)C[NH2+]Cc1occc1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000090907879 180062427 /nfs/dbraw/zinc/06/24/27/180062427.db2.gz TXYRQTCATHJAQF-GASCZTMLSA-N 1 0 278.396 2.388 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+][C@H](C)Cn1ccnc1 ZINC000090960112 180075289 /nfs/dbraw/zinc/07/52/89/180075289.db2.gz ODTSXBPOZJOBDS-SNVBAGLBSA-N 1 0 278.381 2.081 10 0 CEAERO CS(=O)(=O)c1ccc(C[NH2+]Cc2sccc2N)cc1 ZINC000090960539 180075358 /nfs/dbraw/zinc/07/53/58/180075358.db2.gz VKGUSEHIRPUFFR-UHFFFAOYSA-N 1 0 296.417 2.024 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000090960131 180075706 /nfs/dbraw/zinc/07/57/06/180075706.db2.gz JWCIYKIVCMYMMX-WDEREUQCSA-N 1 0 268.382 2.100 10 0 CEAERO CC(=O)Nc1ccccc1C[NH2+]CC[C@@H]1CCCO1 ZINC000090962311 180076469 /nfs/dbraw/zinc/07/64/69/180076469.db2.gz UFKBVKWTSZUUDH-AWEZNQCLSA-N 1 0 262.353 2.304 10 0 CEAERO NC(=S)[C@H]1CCCC[N@@H+]1C[C@@H]1Cc2ccccc21 ZINC000090977089 180078707 /nfs/dbraw/zinc/07/87/07/180078707.db2.gz DUQQHYBXQXHIPD-GXTWGEPZSA-N 1 0 260.406 2.467 10 0 CEAERO C[C@]1(C2CC2)CN(C[C@@H]2Cc3ccccc32)CC[NH2+]1 ZINC000090981990 180079165 /nfs/dbraw/zinc/07/91/65/180079165.db2.gz DITZZTGGYDRFJF-WMLDXEAASA-N 1 0 256.393 2.400 10 0 CEAERO CN(Cc1ccc(C[NH3+])cc1)C(=O)[C@@H]1Cc2ccccc21 ZINC000090982617 180079378 /nfs/dbraw/zinc/07/93/78/180079378.db2.gz HIFCQTZCMWNJLZ-QGZVFWFLSA-N 1 0 280.371 2.444 10 0 CEAERO [NH3+][C@@H](c1ccc2c(c1)NC(=O)CO2)[C@H]1Cc2ccccc21 ZINC000090983908 180080117 /nfs/dbraw/zinc/08/01/17/180080117.db2.gz CITTUNOVVUTVDM-GUYCJALGSA-N 1 0 280.327 2.357 10 0 CEAERO CCCN(C(=O)[C@H]1Cc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000090983545 180080119 /nfs/dbraw/zinc/08/01/19/180080119.db2.gz KOVRISNAPSSQNU-HOCLYGCPSA-N 1 0 272.392 2.317 10 0 CEAERO [NH3+][C@H](c1ccc2[nH]c(=O)[nH]c2c1)[C@H]1Cc2ccccc21 ZINC000090983806 180080194 /nfs/dbraw/zinc/08/01/94/180080194.db2.gz UZCZNFHSDHGUEO-SWLSCSKDSA-N 1 0 265.316 2.196 10 0 CEAERO CCCN(C(=O)[C@H]1Cc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000090983544 180080235 /nfs/dbraw/zinc/08/02/35/180080235.db2.gz KOVRISNAPSSQNU-ZBFHGGJFSA-N 1 0 272.392 2.317 10 0 CEAERO CCN(CC)C(=O)[C@@H](C)[NH2+]C[C@H]1Cc2ccccc21 ZINC000090992599 180082501 /nfs/dbraw/zinc/08/25/01/180082501.db2.gz KZCUTKFSXXMKMR-TZMCWYRMSA-N 1 0 260.381 2.173 10 0 CEAERO CCn1nc(C)c(Cl)c1Cn1ccc(C[NH3+])c1 ZINC000090995227 180082659 /nfs/dbraw/zinc/08/26/59/180082659.db2.gz WTLSEWARGYZWIE-UHFFFAOYSA-N 1 0 252.749 2.173 10 0 CEAERO CC[NH2+]Cc1cn(CC(=O)NC(C)C)c2ccccc12 ZINC000090995433 180082995 /nfs/dbraw/zinc/08/29/95/180082995.db2.gz UYZWXTLQJALJRL-UHFFFAOYSA-N 1 0 273.380 2.275 10 0 CEAERO CC[NH2+]Cc1cn(CC(=O)NC2CC2)c2ccccc12 ZINC000090995416 180083014 /nfs/dbraw/zinc/08/30/14/180083014.db2.gz NULFVHQWILVBTK-UHFFFAOYSA-N 1 0 271.364 2.029 10 0 CEAERO CCc1nc(Cn2cccc2C[NH2+]C(C)(C)C)no1 ZINC000091001563 180083514 /nfs/dbraw/zinc/08/35/14/180083514.db2.gz BJYCZVXDHICNNQ-UHFFFAOYSA-N 1 0 262.357 2.370 10 0 CEAERO CC[NH2+]Cc1ccn(Cc2cn3ccccc3n2)c1 ZINC000091003142 180083831 /nfs/dbraw/zinc/08/38/31/180083831.db2.gz ABSLWUDSHNLBCN-UHFFFAOYSA-N 1 0 254.337 2.294 10 0 CEAERO Cc1nn(CC(=O)NC(C)(C)C)c(C)c1C[NH2+]CC(C)C ZINC000091002266 180084317 /nfs/dbraw/zinc/08/43/17/180084317.db2.gz KZMZVSAKOKYAGF-UHFFFAOYSA-N 1 0 294.443 2.160 10 0 CEAERO CCCn1ccc(C[NH2+]CCC(=O)N[C@H](C)CC)c1 ZINC000091012630 180086334 /nfs/dbraw/zinc/08/63/34/180086334.db2.gz MIVPKEZORWGURZ-CYBMUJFWSA-N 1 0 265.401 2.293 10 0 CEAERO CCn1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2CO)c1 ZINC000091016025 180086802 /nfs/dbraw/zinc/08/68/02/180086802.db2.gz OXSYWYGEOGACOS-GJZGRUSLSA-N 1 0 250.386 2.396 10 0 CEAERO C[C@H]([NH3+])[C@H]1CCCCN1Cc1c[nH]c2ncccc12 ZINC000091019566 180087789 /nfs/dbraw/zinc/08/77/89/180087789.db2.gz LUSGRWHVZLGFQK-SMDDNHRTSA-N 1 0 258.369 2.265 10 0 CEAERO c1c(C[NH2+]C2CC2)c2cccnc2n1C[C@H]1CCCO1 ZINC000091020835 180088615 /nfs/dbraw/zinc/08/86/15/180088615.db2.gz GZNLQZCVHMXDBN-CQSZACIVSA-N 1 0 271.364 2.467 10 0 CEAERO C[C@@H]([NH3+])Cc1cn(CC[C@H]2CCCO2)c2ncccc12 ZINC000091021718 180088630 /nfs/dbraw/zinc/08/86/30/180088630.db2.gz HFNPISRELFOGHU-TZMCWYRMSA-N 1 0 273.380 2.495 10 0 CEAERO CN(C)C(=O)Cn1cc(C[NH2+]C(C)(C)C)c2cccnc21 ZINC000091021006 180088799 /nfs/dbraw/zinc/08/87/99/180088799.db2.gz BPOKQYSAHCUGIG-UHFFFAOYSA-N 1 0 288.395 2.013 10 0 CEAERO [NH3+]CCc1nc(-c2nc(-c3ccc(O)cc3)no2)cs1 ZINC000090938594 180067914 /nfs/dbraw/zinc/06/79/14/180067914.db2.gz OMLRLOYODILSJI-UHFFFAOYSA-N 1 0 288.332 2.067 10 0 CEAERO [NH3+]CCc1nc(-c2nc([C@@H]3Cc4ccccc43)no2)cs1 ZINC000090939149 180068056 /nfs/dbraw/zinc/06/80/56/180068056.db2.gz GQTSKIKAWUBGMD-LLVKDONJSA-N 1 0 298.371 2.382 10 0 CEAERO C[C@@H](C[NH3+])[C@@H](O)c1ccsc1Br ZINC000669377165 539758421 /nfs/dbraw/zinc/75/84/21/539758421.db2.gz IFZCBDZKWFXXCL-CAHLUQPWSA-N 1 0 250.161 2.139 10 0 CEAERO Cc1nnc(-c2csc([C@@H](C)[NH3+])n2)n1C(C)C ZINC000090945101 180069421 /nfs/dbraw/zinc/06/94/21/180069421.db2.gz WDGUWKXVFYIWNU-SSDOTTSWSA-N 1 0 251.359 2.311 10 0 CEAERO [NH3+]CCc1nc(C(=O)NCc2ccccc2Cl)cs1 ZINC000090945615 180069721 /nfs/dbraw/zinc/06/97/21/180069721.db2.gz CMKAGIYDZQIUFZ-UHFFFAOYSA-N 1 0 295.795 2.228 10 0 CEAERO CC(C)n1c(C[C@@H]2CSCC[NH2+]2)nc2cccnc21 ZINC000091128712 180100562 /nfs/dbraw/zinc/10/05/62/180100562.db2.gz DYYBHNSGNUSZEJ-LLVKDONJSA-N 1 0 276.409 2.260 10 0 CEAERO CC1CCC([N@H+](C)[C@H](CN)CC(=O)NC(C)(C)C)CC1 ZINC000091321236 180134466 /nfs/dbraw/zinc/13/44/66/180134466.db2.gz MESJPHVMLJVEIP-RUXDESIVSA-N 1 0 283.460 2.129 10 0 CEAERO CCC(CC)C[N@H+](CC)[C@@H](CN)CC(=O)NC(C)(C)C ZINC000091321248 180134610 /nfs/dbraw/zinc/13/46/10/180134610.db2.gz ZTODSMKHWZIWST-CQSZACIVSA-N 1 0 285.476 2.377 10 0 CEAERO Cc1ccc([C@H]([NH2+]CC[S@](C)=O)C2CC2)cc1 ZINC000091341690 180137299 /nfs/dbraw/zinc/13/72/99/180137299.db2.gz WYKWUIQGDMUYLK-WMLDXEAASA-N 1 0 251.395 2.414 10 0 CEAERO CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)C1CC1 ZINC000091359314 180140283 /nfs/dbraw/zinc/14/02/83/180140283.db2.gz ZENDWXFYLROXTQ-UBHSHLNASA-N 1 0 250.386 2.308 10 0 CEAERO CN(C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)[C@@H]1CCSC1 ZINC000091359374 180140300 /nfs/dbraw/zinc/14/03/00/180140300.db2.gz MJZKLVJMBLAKDK-CRWXNKLISA-N 1 0 282.453 2.261 10 0 CEAERO Cc1nc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)cs1 ZINC000091360586 180141174 /nfs/dbraw/zinc/14/11/74/180141174.db2.gz DXKNZYSQYXVMKM-UBHSHLNASA-N 1 0 293.436 2.379 10 0 CEAERO O=C(NCCc1ccncc1)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000091359920 180141299 /nfs/dbraw/zinc/14/12/99/180141299.db2.gz WJTODLNZEFBBQW-PMPSAXMXSA-N 1 0 287.407 2.051 10 0 CEAERO CC(C)n1cncc1[C@@H]([NH2+]C1CCCCCC1)C(N)=O ZINC000091272620 180118185 /nfs/dbraw/zinc/11/81/85/180118185.db2.gz SMKHEIKXTLENQB-CQSZACIVSA-N 1 0 278.400 2.303 10 0 CEAERO CN(Cc1ccccc1)[C@@H](C[NH3+])c1cncn1C1CC1 ZINC000091276192 180119579 /nfs/dbraw/zinc/11/95/79/180119579.db2.gz BKBUEQGKBMFXLP-HNNXBMFYSA-N 1 0 270.380 2.350 10 0 CEAERO CCCn1c(C[C@@H]2C[NH2+]CCO2)nc2c1cccc2F ZINC000091293287 180124191 /nfs/dbraw/zinc/12/41/91/180124191.db2.gz RZHSJOWNEROFOV-LLVKDONJSA-N 1 0 277.343 2.116 10 0 CEAERO Clc1ccc2oc(C[C@H]3C[NH2+]CCO3)nc2c1 ZINC000091295230 180124749 /nfs/dbraw/zinc/12/47/49/180124749.db2.gz LPUIEIPKYNHOOR-VIFPVBQESA-N 1 0 252.701 2.012 10 0 CEAERO CCNc1ccccc1C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000091428293 180153196 /nfs/dbraw/zinc/15/31/96/180153196.db2.gz JXIPFMNILNDOLU-ZDUSSCGKSA-N 1 0 275.396 2.285 10 0 CEAERO [NH3+]CC1CC(OCC(=O)Nc2cccc(Cl)c2)C1 ZINC000091451618 180158646 /nfs/dbraw/zinc/15/86/46/180158646.db2.gz BWIHWUPXRGZLCZ-UHFFFAOYSA-N 1 0 268.744 2.032 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@@H]1NC(=O)c1ccncc1Cl ZINC000091456935 180160415 /nfs/dbraw/zinc/16/04/15/180160415.db2.gz HKCUORFTTNAORE-NEPJUHHUSA-N 1 0 267.760 2.125 10 0 CEAERO CN(CC1CC(O)C1)[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000091460938 180161796 /nfs/dbraw/zinc/16/17/96/180161796.db2.gz GQSQVRJYPYMZRI-UZANAETPSA-N 1 0 268.788 2.043 10 0 CEAERO C[N@@H+](Cc1c(N)cccc1Br)CC1CC(O)C1 ZINC000091463891 180162186 /nfs/dbraw/zinc/16/21/86/180162186.db2.gz KNVDTHMUWIYTFA-UHFFFAOYSA-N 1 0 299.212 2.234 10 0 CEAERO CC[C@H](N)[C@@H](c1ccccc1C)[N@H+](C)CC1CC(O)C1 ZINC000091463314 180162668 /nfs/dbraw/zinc/16/26/68/180162668.db2.gz VTOQRJAUUBRGGB-YQEWQEHLSA-N 1 0 276.424 2.476 10 0 CEAERO COCC[NH2+]C[C@@H](O)Cc1c(Cl)cccc1Cl ZINC000091467716 180164329 /nfs/dbraw/zinc/16/43/29/180164329.db2.gz HIXXCEJUZFWRQR-VIFPVBQESA-N 1 0 278.179 2.133 10 0 CEAERO COCC[NH2+]C[C@H](O)C[C@@H]1CCCc2ccccc21 ZINC000091470257 180165022 /nfs/dbraw/zinc/16/50/22/180165022.db2.gz GIZNNRHQEABFFH-LSDHHAIUSA-N 1 0 263.381 2.094 10 0 CEAERO Cc1ccc(C)c(CC(=O)N(C)CC2CC([NH3+])C2)c1 ZINC000091471952 180165257 /nfs/dbraw/zinc/16/52/57/180165257.db2.gz VOGAKIWHPQKWHG-UHFFFAOYSA-N 1 0 260.381 2.042 10 0 CEAERO CC[C@H](C(=O)N(C)CC1CC([NH3+])C1)c1ccccc1 ZINC000091475721 180166222 /nfs/dbraw/zinc/16/62/22/180166222.db2.gz AWVNLZAOPPJZNQ-ZALBZXLWSA-N 1 0 260.381 2.376 10 0 CEAERO C[N@H+](CC1CC(O)C1)CC(C)(C)[C@H](O)c1ccccc1 ZINC000091490194 180169074 /nfs/dbraw/zinc/16/90/74/180169074.db2.gz PMZUVMPYBDSRQK-AVVWSFFYSA-N 1 0 277.408 2.449 10 0 CEAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)C1C(C)(C)C1(C)C ZINC000091492845 180170643 /nfs/dbraw/zinc/17/06/43/180170643.db2.gz ZIVKALRQKKBQHP-IJLUTSLNSA-N 1 0 264.413 2.125 10 0 CEAERO COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1O)CC2 ZINC000129586085 187441120 /nfs/dbraw/zinc/44/11/20/187441120.db2.gz RSEFPICIEXSDPU-LXZKKBNFSA-N 1 0 275.392 2.303 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(CC(=O)c2ccc(F)cc2F)C1 ZINC000091395581 180146401 /nfs/dbraw/zinc/14/64/01/180146401.db2.gz LANITUDOUBICNH-GFCCVEGCSA-N 1 0 282.334 2.174 10 0 CEAERO C[NH+](C)[C@H]1CCCN(C(=O)c2cc3cc(N)ccc3o2)C1 ZINC000091394413 180146684 /nfs/dbraw/zinc/14/66/84/180146684.db2.gz PYKJIWAENGJPRD-ZDUSSCGKSA-N 1 0 287.363 2.181 10 0 CEAERO O=C(Nc1ccccc1SCC(F)(F)F)C1C[NH2+]C1 ZINC000091406540 180147711 /nfs/dbraw/zinc/14/77/11/180147711.db2.gz AFPDLOIBNOLANJ-UHFFFAOYSA-N 1 0 290.310 2.499 10 0 CEAERO O=C(Nc1ccc(OC(F)F)c(Cl)c1)C1C[NH2+]C1 ZINC000091408641 180148382 /nfs/dbraw/zinc/14/83/82/180148382.db2.gz GORRQBYJSHKNPH-UHFFFAOYSA-N 1 0 276.670 2.099 10 0 CEAERO OC1CC(C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000091415793 180149398 /nfs/dbraw/zinc/14/93/98/180149398.db2.gz KFDAATGLMDLZJI-UHFFFAOYSA-N 1 0 297.782 2.362 10 0 CEAERO CC[NH2+]Cc1cncc(N2CCc3ccccc32)n1 ZINC000091418789 180150158 /nfs/dbraw/zinc/15/01/58/180150158.db2.gz RLZFUIFTNAVJIG-UHFFFAOYSA-N 1 0 254.337 2.280 10 0 CEAERO Cc1nn(-c2cncc(C[NH2+]CC(C)C)n2)cc1Cl ZINC000091422584 180151531 /nfs/dbraw/zinc/15/15/31/180151531.db2.gz MHCNCEXQYVQKND-UHFFFAOYSA-N 1 0 279.775 2.370 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]C2CC(O)C2)C12CCCCC2 ZINC000091423774 180151547 /nfs/dbraw/zinc/15/15/47/180151547.db2.gz NRHHFJCZRUVWGW-NWINJMCUSA-N 1 0 253.386 2.227 10 0 CEAERO CC(C)[C@@H]1CCCN1c1cncc(C[NH2+]C2CC2)n1 ZINC000091422187 180151549 /nfs/dbraw/zinc/15/15/49/180151549.db2.gz TYHAESZGASYDSZ-AWEZNQCLSA-N 1 0 260.385 2.353 10 0 CEAERO C[NH2+][C@H](c1c(C)ccnc1N)C(C)(C)N1CCCCC1 ZINC000091564743 180193405 /nfs/dbraw/zinc/19/34/05/180193405.db2.gz QIUFHBLQZRNXAP-CQSZACIVSA-N 1 0 276.428 2.497 10 0 CEAERO CC(C)([C@H]([NH3+])c1ccc(F)c(F)c1F)N1CCOCC1 ZINC000091566325 180193979 /nfs/dbraw/zinc/19/39/79/180193979.db2.gz ULMGAGWAKSRPKW-CYBMUJFWSA-N 1 0 288.313 2.215 10 0 CEAERO C[NH2+][C@@H](Cc1ccc(F)cc1)C(C)(C)N1CCOCC1 ZINC000091566661 180194015 /nfs/dbraw/zinc/19/40/15/180194015.db2.gz PCWFNXVFWXULNN-HNNXBMFYSA-N 1 0 280.387 2.067 10 0 CEAERO CC(C)([C@@H]([NH3+])Cc1ccc2c(c1)CCC2)N1CCOCC1 ZINC000091566071 180194110 /nfs/dbraw/zinc/19/41/10/180194110.db2.gz VHZOCFPMOJNKCQ-KRWDZBQOSA-N 1 0 288.435 2.156 10 0 CEAERO C[NH2+][C@@H](Cc1ccc(C)cc1)C(C)(C)N1CCOCC1 ZINC000091566518 180194179 /nfs/dbraw/zinc/19/41/79/180194179.db2.gz MFGZCEBDFMILRM-INIZCTEOSA-N 1 0 276.424 2.236 10 0 CEAERO C[NH2+][C@@H](c1cccc(C)c1)C(C)(C)N1CCOCC1 ZINC000091566580 180194265 /nfs/dbraw/zinc/19/42/65/180194265.db2.gz FAICPIKLRAHCDI-HNNXBMFYSA-N 1 0 262.397 2.366 10 0 CEAERO C[NH2+][C@H](CCc1cccs1)C(C)(C)N1CCOCC1 ZINC000091566546 180194275 /nfs/dbraw/zinc/19/42/75/180194275.db2.gz YNSUPGQZMQMMND-CQSZACIVSA-N 1 0 282.453 2.380 10 0 CEAERO CC(C)([C@H](O)C1CCOCC1)[NH+]1CCCCCC1 ZINC000091567421 180194835 /nfs/dbraw/zinc/19/48/35/180194835.db2.gz XKOCRYLWMJDGBB-CQSZACIVSA-N 1 0 255.402 2.429 10 0 CEAERO Cc1cc(C[C@H](N)C(C)(C)[NH+]2CCCCCC2)n(C)n1 ZINC000091567959 180194869 /nfs/dbraw/zinc/19/48/69/180194869.db2.gz TYCZXSZYLVNJTH-HNNXBMFYSA-N 1 0 278.444 2.253 10 0 CEAERO CCOc1ccccc1[C@H]([NH2+]C)C(C)(C)N1CCOCC1 ZINC000091566706 180195011 /nfs/dbraw/zinc/19/50/11/180195011.db2.gz LFFFGKKCQZWBCF-INIZCTEOSA-N 1 0 292.423 2.457 10 0 CEAERO CC[NH2+][C@@H](c1ccco1)C(C)(C)N1CCOCC1 ZINC000091566912 180195153 /nfs/dbraw/zinc/19/51/53/180195153.db2.gz LKXHSPUSRYRCBK-ZDUSSCGKSA-N 1 0 252.358 2.041 10 0 CEAERO CC[C@](C)([C@H](N)c1ccc(OC)cc1OC)[NH+](C)C ZINC000091569661 180195656 /nfs/dbraw/zinc/19/56/56/180195656.db2.gz VNEJJBTVLCGLAT-HUUCEWRRSA-N 1 0 266.385 2.434 10 0 CEAERO CC[C@@](C)([C@H](Cc1ccn(C(C)C)n1)[NH2+]C)N(C)C ZINC000091570794 180195701 /nfs/dbraw/zinc/19/57/01/180195701.db2.gz CEUVTGNZCHGPPS-GJZGRUSLSA-N 1 0 266.433 2.325 10 0 CEAERO CC[NH2+][C@H](c1cnn(CC)c1)[C@@](C)(CC)N(C)C ZINC000091571513 180196098 /nfs/dbraw/zinc/19/60/98/180196098.db2.gz ZYJNZNJYSULYLI-ZIAGYGMSSA-N 1 0 252.406 2.284 10 0 CEAERO CC(C)N1C(=O)C[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C1=O ZINC000105088431 186041940 /nfs/dbraw/zinc/04/19/40/186041940.db2.gz PCVXSKTVAOIDQM-GWCFXTLKSA-N 1 0 278.327 2.012 10 0 CEAERO C[C@H](CN1CCOCC1)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000091578403 180198258 /nfs/dbraw/zinc/19/82/58/180198258.db2.gz BIDMRMBOAFWLQB-ZIAGYGMSSA-N 1 0 264.369 2.137 10 0 CEAERO CC(C)c1nn(C)c(N[C@H](C)C[NH+]2CCCCC2)c1N ZINC000091584026 180199624 /nfs/dbraw/zinc/19/96/24/180199624.db2.gz WDKVUBZBYQJWFD-GFCCVEGCSA-N 1 0 279.432 2.412 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@H](NC)c1cccnc1N ZINC000091600080 180201944 /nfs/dbraw/zinc/20/19/44/180201944.db2.gz WXLFPZPCBZZRNZ-UKRRQHHQSA-N 1 0 264.417 2.435 10 0 CEAERO CC[NH2+][C@@H](Cc1ncnn1CC)[C@@](C)(CC)N(CC)CC ZINC000091601019 180202898 /nfs/dbraw/zinc/20/28/98/180202898.db2.gz RDEBSZOEJUBCDT-GOEBONIOSA-N 1 0 295.475 2.329 10 0 CEAERO CC[C@](C)([C@H](O)Cc1ncnn1CC(C)C)[NH+]1CCCC1 ZINC000091603494 180203295 /nfs/dbraw/zinc/20/32/95/180203295.db2.gz SDNAOOQILMLUDL-GDBMZVCRSA-N 1 0 294.443 2.102 10 0 CEAERO CCn1ccnc1[C@H](O)[C@@](C)(CC)[NH+]1CCCC1 ZINC000091602767 180203397 /nfs/dbraw/zinc/20/33/97/180203397.db2.gz XYYZFWDRBXLIAB-GXTWGEPZSA-N 1 0 251.374 2.201 10 0 CEAERO CCn1cc(C[C@H]([NH2+]C)[C@@](C)(CC)N2CCCC2)cn1 ZINC000091606301 180203858 /nfs/dbraw/zinc/20/38/58/180203858.db2.gz SDPIECRUWTZOEZ-JKSUJKDBSA-N 1 0 278.444 2.298 10 0 CEAERO CC[C@](C)([C@@H](Cc1cc(C)nn1C)[NH2+]C)N1CCCC1 ZINC000091606602 180204731 /nfs/dbraw/zinc/20/47/31/180204731.db2.gz NSJXCMANVPILAE-HZPDHXFCSA-N 1 0 278.444 2.124 10 0 CEAERO CC[C@](C)([C@H](N)Cc1cccnc1N)[NH+]1CCCCC1 ZINC000091609150 180205648 /nfs/dbraw/zinc/20/56/48/180205648.db2.gz ZLOSACPTEAGMIJ-GDBMZVCRSA-N 1 0 276.428 2.188 10 0 CEAERO CCn1ncnc1C[C@@H]([NH2+]C)[C@@](C)(CC)N1CCCCC1 ZINC000091610058 180205963 /nfs/dbraw/zinc/20/59/63/180205963.db2.gz RWYVQABUXGQXIV-GDBMZVCRSA-N 1 0 293.459 2.083 10 0 CEAERO CC[C@@](C)([C@@H]([NH3+])c1cccc(C)c1)N1CCOCC1 ZINC000091611855 180206272 /nfs/dbraw/zinc/20/62/72/180206272.db2.gz HUGCNYJHZDVZMW-HOTGVXAUSA-N 1 0 262.397 2.496 10 0 CEAERO CC[C@@](C)([C@@H]([NH3+])c1ccccc1OC)N1CCOCC1 ZINC000091611635 180206347 /nfs/dbraw/zinc/20/63/47/180206347.db2.gz GUYZWWOGEOVYER-HOTGVXAUSA-N 1 0 278.396 2.196 10 0 CEAERO CC[C@](C)([C@H]([NH3+])Cc1ccccc1F)N1CCOCC1 ZINC000091611566 180206458 /nfs/dbraw/zinc/20/64/58/180206458.db2.gz KZAMACGYPMXSRY-HZPDHXFCSA-N 1 0 280.387 2.196 10 0 CEAERO CCC[NH2+][C@@H](c1cncnc1)[C@](C)(CC)N1CCOCC1 ZINC000091613091 180207736 /nfs/dbraw/zinc/20/77/36/180207736.db2.gz KKROAHNKOUHJAU-HOTGVXAUSA-N 1 0 292.427 2.018 10 0 CEAERO Cc1nc(NC(=O)C2CC[NH2+]CC2)ccc1Br ZINC000091507294 180176447 /nfs/dbraw/zinc/17/64/47/180176447.db2.gz QGYGRMLKBVBFOR-UHFFFAOYSA-N 1 0 298.184 2.091 10 0 CEAERO COCC[NH2+]CC[C@](C)(O)Cc1cc(C)ccc1C ZINC000091522711 180178078 /nfs/dbraw/zinc/17/80/78/180178078.db2.gz KLPYDMXZNOSXGN-INIZCTEOSA-N 1 0 265.397 2.223 10 0 CEAERO CCc1ccc(C[C@@](C)(O)CC[NH2+]CCOC)cc1 ZINC000091520269 180178197 /nfs/dbraw/zinc/17/81/97/180178197.db2.gz NANUJKMLTGSCMJ-INIZCTEOSA-N 1 0 265.397 2.169 10 0 CEAERO CCC[NH2+][C@@H](c1cnccn1)[C@](C)(CC)N1CCOCC1 ZINC000091613099 180208326 /nfs/dbraw/zinc/20/83/26/180208326.db2.gz IEUSQAMPKPUTIC-HOTGVXAUSA-N 1 0 292.427 2.018 10 0 CEAERO C[NH+](C)C(C)(C)[C@@H](N)Cc1ccnc2ccccc12 ZINC000091528406 180179900 /nfs/dbraw/zinc/17/99/00/180179900.db2.gz WBXRJEDOAMIKBA-HNNXBMFYSA-N 1 0 257.381 2.445 10 0 CEAERO CC[NH2+][C@H](c1cnn(C)c1)C(C)(C)N(CC)CC ZINC000091531579 180180432 /nfs/dbraw/zinc/18/04/32/180180432.db2.gz NCJWDKZZSYMDKH-CYBMUJFWSA-N 1 0 252.406 2.191 10 0 CEAERO CCC[NH2+][C@H](c1nccn1CC)C(C)(C)N(C)C ZINC000091529547 180180650 /nfs/dbraw/zinc/18/06/50/180180650.db2.gz MWMLTMAJNMGXID-GFCCVEGCSA-N 1 0 252.406 2.284 10 0 CEAERO CCc1cc(C[C@H](N)C(C)(C)[NH+](CC)CC)n(CC)n1 ZINC000091530460 180180759 /nfs/dbraw/zinc/18/07/59/180180759.db2.gz OHJAFXKXRYXNRE-HNNXBMFYSA-N 1 0 280.460 2.456 10 0 CEAERO CCc1nn(C)c(C[C@H]([NH3+])C(C)(C)N2CCCC2)c1Cl ZINC000091533757 180181479 /nfs/dbraw/zinc/18/14/79/180181479.db2.gz RRORIIPVIRONTP-ZDUSSCGKSA-N 1 0 298.862 2.380 10 0 CEAERO CC[NH2+][C@@H](c1cc(C)cnc1N)C(C)(C)N1CCCC1 ZINC000091535218 180182323 /nfs/dbraw/zinc/18/23/23/180182323.db2.gz BQPCJKHVJXARFW-AWEZNQCLSA-N 1 0 276.428 2.497 10 0 CEAERO CCC[NH2+][C@H](Cc1cnn(C)c1)C(C)(C)N1CCCC1 ZINC000091536189 180182466 /nfs/dbraw/zinc/18/24/66/180182466.db2.gz XDIHXRRPKJYJKG-OAHLLOKOSA-N 1 0 278.444 2.205 10 0 CEAERO CCCn1ncnc1C[C@@H]([NH2+]CC)C(C)(C)N1CCCC1 ZINC000091535841 180182534 /nfs/dbraw/zinc/18/25/34/180182534.db2.gz YBQOAWGUDGMSKN-CQSZACIVSA-N 1 0 293.459 2.083 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)c1ccc(F)cc1F ZINC000091541962 180183699 /nfs/dbraw/zinc/18/36/99/180183699.db2.gz AAZCMGFDOMPANN-NGZCFLSTSA-N 1 0 268.307 2.269 10 0 CEAERO CN(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)C1C2CC3CC(C2)CC1C3 ZINC000091542268 180184691 /nfs/dbraw/zinc/18/46/91/180184691.db2.gz CDPPCTLRUMWRCH-WBSGLHFFSA-N 1 0 276.424 2.397 10 0 CEAERO COC(=O)c1ccc(Cl)c(NC(=O)[C@H]2CC[C@H]([NH3+])C2)c1 ZINC000091543549 180185016 /nfs/dbraw/zinc/18/50/16/180185016.db2.gz SNMNXZGFMLVJHE-WPRPVWTQSA-N 1 0 296.754 2.193 10 0 CEAERO [NH3+][C@@H]1CC[C@H](C(=O)Nc2ccc3ncccc3c2)C1 ZINC000091544751 180185981 /nfs/dbraw/zinc/18/59/81/180185981.db2.gz OMUDAVZKUWTVEK-NWDGAFQWSA-N 1 0 255.321 2.301 10 0 CEAERO [NH3+][C@H]1CC[C@@H](C(=O)Nc2cccc(OC(F)F)c2)C1 ZINC000091545364 180186193 /nfs/dbraw/zinc/18/61/93/180186193.db2.gz XYCKVWWVEHJEIO-BDAKNGLRSA-N 1 0 270.279 2.354 10 0 CEAERO CCC(CC)([C@@H](N)c1nccn1C)[NH+]1CCCC1 ZINC000091634809 180210937 /nfs/dbraw/zinc/21/09/37/180210937.db2.gz RCTPTWLSXYCFTC-LBPRGKRZSA-N 1 0 250.390 2.075 10 0 CEAERO CCC(CC)([C@@H](NC)c1cncnc1)[NH+]1CCCC1 ZINC000091635085 180211644 /nfs/dbraw/zinc/21/16/44/180211644.db2.gz VOMVUADNOGSZJB-AWEZNQCLSA-N 1 0 262.401 2.392 10 0 CEAERO CCC(CC)([C@@H](NC)c1ccnn1C)[NH+]1CCCC1 ZINC000091635199 180211717 /nfs/dbraw/zinc/21/17/17/180211717.db2.gz SIMSDIGAWMBACR-AWEZNQCLSA-N 1 0 264.417 2.335 10 0 CEAERO CCCn1ccnc1[C@@H](N)C1([NH+](C)C)CCCC1 ZINC000091637419 180212202 /nfs/dbraw/zinc/21/22/02/180212202.db2.gz IJAWQTNEARIKHJ-GFCCVEGCSA-N 1 0 250.390 2.167 10 0 CEAERO Cn1nccc1C(=O)C1([NH+]2CCCCC2)CCCC1 ZINC000091641402 180213071 /nfs/dbraw/zinc/21/30/71/180213071.db2.gz GDWZCBGZJNXYMP-UHFFFAOYSA-N 1 0 261.369 2.402 10 0 CEAERO Cn1cc(C[C@@H](O)C2([NH+]3CCCCC3)CCCC2)cn1 ZINC000091641731 180213086 /nfs/dbraw/zinc/21/30/86/180213086.db2.gz XZEZAQQOGMHCOV-OAHLLOKOSA-N 1 0 277.412 2.122 10 0 CEAERO O=C([C@H]1CCOC1)C1([NH+]2CCCCC2)CCCC1 ZINC000091641462 180213229 /nfs/dbraw/zinc/21/32/29/180213229.db2.gz OVQHSNUVQDICMN-ZDUSSCGKSA-N 1 0 251.370 2.391 10 0 CEAERO CCn1nc(C)cc1C[C@H](N)C1([NH+]2CCCC2)CCCC1 ZINC000091640674 180213250 /nfs/dbraw/zinc/21/32/50/180213250.db2.gz YWOFSMPAFXZTDR-INIZCTEOSA-N 1 0 290.455 2.490 10 0 CEAERO CCn1cc(C[C@@H](O)C2([NH+]3CCCC3)CCCC2)cn1 ZINC000091640240 180213355 /nfs/dbraw/zinc/21/33/55/180213355.db2.gz NBFXOIXFXSMLQL-OAHLLOKOSA-N 1 0 277.412 2.215 10 0 CEAERO COc1cccc([C@H](O)C2([NH+]3CCOCC3)CCCC2)c1 ZINC000091642585 180213769 /nfs/dbraw/zinc/21/37/69/180213769.db2.gz UKHXDTQIPVRETF-INIZCTEOSA-N 1 0 291.391 2.374 10 0 CEAERO [NH3+][C@H](c1ccc(F)cc1)C1(N2CCOCC2)CCCC1 ZINC000091643018 180214074 /nfs/dbraw/zinc/21/40/74/180214074.db2.gz QLOGAUVTWOEDPP-OAHLLOKOSA-N 1 0 278.371 2.471 10 0 CEAERO CC[NH2+][C@@H](CC1CC1)C1(N2CCOCC2)CCCC1 ZINC000091646275 180215250 /nfs/dbraw/zinc/21/52/50/180215250.db2.gz NAEALUXIMKMGTC-HNNXBMFYSA-N 1 0 266.429 2.410 10 0 CEAERO CC[NH2+][C@H](c1ccnn1C)C1(N(C)C)CCCCC1 ZINC000091647871 180215726 /nfs/dbraw/zinc/21/57/26/180215726.db2.gz ZRHMLBUEXGQFDE-CQSZACIVSA-N 1 0 264.417 2.335 10 0 CEAERO CC(C)n1ncnc1C[C@@H](O)C1([NH+](C)C)CCC(C)CC1 ZINC000091648427 180215866 /nfs/dbraw/zinc/21/58/66/180215866.db2.gz JYMUTHRNPAHDLI-NPCAHTBFSA-N 1 0 294.443 2.273 10 0 CEAERO CC1CCC([C@@H](N)c2cccnc2N)([NH+](C)C)CC1 ZINC000091649012 180215995 /nfs/dbraw/zinc/21/59/95/180215995.db2.gz LNHMUKFJJVRRCO-QRJNDHJOSA-N 1 0 262.401 2.174 10 0 CEAERO CCCn1ncnc1C[C@H](N)C1([NH+](C)C)CCC(C)CC1 ZINC000091648971 180216060 /nfs/dbraw/zinc/21/60/60/180216060.db2.gz WWPYDBKJHHVMNC-BBBYJDLNSA-N 1 0 293.459 2.068 10 0 CEAERO C[NH2+][C@@H](Cc1cnccc1N)C1(N(C)C)CCC(C)CC1 ZINC000091649098 180216133 /nfs/dbraw/zinc/21/61/33/180216133.db2.gz QGOAKGSAPHNFHU-PWZRNIHTSA-N 1 0 290.455 2.305 10 0 CEAERO CN[C@H](c1nccn1C)C1([NH+](C)C)CCCCCC1 ZINC000091654453 180216817 /nfs/dbraw/zinc/21/68/17/180216817.db2.gz DRDSTJBJFXSFFR-CYBMUJFWSA-N 1 0 264.417 2.335 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CNc1nc(Cl)ncc1C ZINC000091658221 180218377 /nfs/dbraw/zinc/21/83/77/180218377.db2.gz BOGBNBDJVYEVGS-JTQLQIEISA-N 1 0 254.765 2.335 10 0 CEAERO c1cnc2c(c1)CCC[C@H]2[NH2+][C@H]1CN2CCC1CC2 ZINC000091660181 180218717 /nfs/dbraw/zinc/21/87/17/180218717.db2.gz SOYQUNZWYPMMTH-CABCVRRESA-N 1 0 257.381 2.143 10 0 CEAERO Cc1cnc(Cl)nc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000091658769 180219055 /nfs/dbraw/zinc/21/90/55/180219055.db2.gz KJJOKJZOIFAZMZ-VIFPVBQESA-N 1 0 252.749 2.087 10 0 CEAERO CC[C@H]([NH2+]C[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(O)cc1 ZINC000091662340 180219404 /nfs/dbraw/zinc/21/94/04/180219404.db2.gz UYJRFQRZAJLNPT-OIISXLGYSA-N 1 0 290.407 2.296 10 0 CEAERO COC(OC)[C@H](C)[NH2+][C@H]1CCCc2cccnc21 ZINC000091661729 180219889 /nfs/dbraw/zinc/21/98/89/180219889.db2.gz OBDSZEKLUZONMZ-JQWIXIFHSA-N 1 0 250.342 2.056 10 0 CEAERO CC1CCC(C[NH2+]C[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000091666167 180221665 /nfs/dbraw/zinc/22/16/65/180221665.db2.gz OKVUJQAYCWVBLD-FJBKBRRZSA-N 1 0 266.429 2.266 10 0 CEAERO CN1CCO[C@@H](C[NH2+][C@@H]2CCCC(C)(C)CC2)C1 ZINC000091667125 180223076 /nfs/dbraw/zinc/22/30/76/180223076.db2.gz ZHTJYRGJHRMLEH-KGLIPLIRSA-N 1 0 254.418 2.266 10 0 CEAERO C[NH2+][C@H](Cc1csc2ccccc12)[C@@H]1CN(C)CCO1 ZINC000091718167 180233345 /nfs/dbraw/zinc/23/33/45/180233345.db2.gz RALNDPPQFUMKRW-CABCVRRESA-N 1 0 290.432 2.362 10 0 CEAERO CCC[NH2+][C@@H](Cc1cccc(F)c1F)[C@H]1CN(C)CCO1 ZINC000091718980 180233586 /nfs/dbraw/zinc/23/35/86/180233586.db2.gz GGLITWFWVWCVBW-LSDHHAIUSA-N 1 0 298.377 2.206 10 0 CEAERO CC[NH2+][C@H](Cc1c(Cl)c(CC)nn1CC)CN(C)C ZINC000091719845 180234327 /nfs/dbraw/zinc/23/43/27/180234327.db2.gz LHWCSPQJLPAYIV-LLVKDONJSA-N 1 0 286.851 2.201 10 0 CEAERO CCC[NH2+][C@@H](c1cccs1)[C@@H]1CN(C)CCO1 ZINC000091719538 180234399 /nfs/dbraw/zinc/23/43/99/180234399.db2.gz WKPLMHNIAGTBPN-WCQYABFASA-N 1 0 254.399 2.119 10 0 CEAERO CCC[NH2+][C@@H](c1ccccc1OCC)[C@@H]1CN(C)CCO1 ZINC000091719442 180234485 /nfs/dbraw/zinc/23/44/85/180234485.db2.gz PAGVVOGYCFCLFU-IRXDYDNUSA-N 1 0 292.423 2.457 10 0 CEAERO CCC[NH2+][C@H](c1cccc(C)c1)[C@H]1CN(C)CCO1 ZINC000091719205 180234632 /nfs/dbraw/zinc/23/46/32/180234632.db2.gz YCTDZZWNFQSUGW-HZPDHXFCSA-N 1 0 262.397 2.366 10 0 CEAERO C[NH2+][C@H](c1ccc(OC)cc1C)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721511 180238846 /nfs/dbraw/zinc/23/88/46/180238846.db2.gz BCSJASNYULCCIC-KBRIMQKVSA-N 1 0 290.407 2.127 10 0 CEAERO CCc1ccc(C(=O)NC[C@H]2CCCC[C@@H]2[NH3+])o1 ZINC000091777330 180251497 /nfs/dbraw/zinc/25/14/97/180251497.db2.gz YZWJRAODRRNNHE-PWSUYJOCSA-N 1 0 250.342 2.089 10 0 CEAERO CCc1ccc(-c2nnc(CC[NH2+]CCOC)s2)o1 ZINC000091777742 180251739 /nfs/dbraw/zinc/25/17/39/180251739.db2.gz FJPXYLMBRAJHMP-UHFFFAOYSA-N 1 0 281.381 2.139 10 0 CEAERO CCc1ccc(C(=O)N[C@@H]2c3ccccc3C[C@H]2[NH3+])o1 ZINC000091777301 180251747 /nfs/dbraw/zinc/25/17/47/180251747.db2.gz QVJBWHUCALCEMY-UKRRQHHQSA-N 1 0 270.332 2.197 10 0 CEAERO CCc1ccc(C(=O)NC2(C[NH3+])CCC(C)CC2)o1 ZINC000091777323 180251820 /nfs/dbraw/zinc/25/18/20/180251820.db2.gz MAUGYSMEJDQKHJ-UHFFFAOYSA-N 1 0 264.369 2.479 10 0 CEAERO CCN([C@H](C)c1ccc(C(=O)OC)o1)C1CC[NH2+]CC1 ZINC000091780862 180254134 /nfs/dbraw/zinc/25/41/34/180254134.db2.gz HYJSHEZERVZVRU-LLVKDONJSA-N 1 0 280.368 2.201 10 0 CEAERO C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000091782518 180254830 /nfs/dbraw/zinc/25/48/30/180254830.db2.gz SBUAJOFHEZUXBQ-NSHDSACASA-N 1 0 280.368 2.312 10 0 CEAERO CCC[NH2+][C@H](CC1CCC1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091722345 180240088 /nfs/dbraw/zinc/24/00/88/180240088.db2.gz MXASSDYROBECRO-OAGGEKHMSA-N 1 0 266.429 2.408 10 0 CEAERO CCN(C(=O)[C@H]1COc2ccccc21)C1CCC([NH3+])CC1 ZINC000091850129 180272398 /nfs/dbraw/zinc/27/23/98/180272398.db2.gz MBTULBNVOFLQFI-PIMMBPRGSA-N 1 0 288.391 2.281 10 0 CEAERO CCCN(C1CCC([NH3+])CC1)S(=O)(=O)CCC(C)C ZINC000091852227 180272749 /nfs/dbraw/zinc/27/27/49/180272749.db2.gz ACZPGTOVXFCMOJ-UHFFFAOYSA-N 1 0 290.473 2.344 10 0 CEAERO CCCN(C(=O)c1cc(C)no1)C1CCC([NH3+])CC1 ZINC000091852027 180273063 /nfs/dbraw/zinc/27/30/63/180273063.db2.gz HHZDSIQFFJPXEC-UHFFFAOYSA-N 1 0 265.357 2.105 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)c2cccc(N(C)C)c2)CC1 ZINC000091854429 180274350 /nfs/dbraw/zinc/27/43/50/180274350.db2.gz LHDISXBKMRBCSP-UHFFFAOYSA-N 1 0 289.423 2.355 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)c2ccc(OC)c(F)c2)CC1 ZINC000091854408 180274686 /nfs/dbraw/zinc/27/46/86/180274686.db2.gz KYYMSGJUFWPYME-UHFFFAOYSA-N 1 0 294.370 2.437 10 0 CEAERO CC[NH2+][C@@H](C)c1ccn(CC(=O)N(C)C(C)C)c1 ZINC000091805248 180260504 /nfs/dbraw/zinc/26/05/04/180260504.db2.gz GIDKXJFKHCJZSV-LBPRGKRZSA-N 1 0 251.374 2.025 10 0 CEAERO CC[NH2+][C@H](CC)c1ccn(CC(=O)N(CC)CC)c1 ZINC000091817104 180262695 /nfs/dbraw/zinc/26/26/95/180262695.db2.gz XYMKLEMQFDMISH-CQSZACIVSA-N 1 0 265.401 2.417 10 0 CEAERO CC[C@@H]([NH2+]C)c1ccn(CC(=O)N(CC)CC)c1 ZINC000091816586 180263122 /nfs/dbraw/zinc/26/31/22/180263122.db2.gz LGELKMXZXCVATI-CYBMUJFWSA-N 1 0 251.374 2.027 10 0 CEAERO CCC[C@@H]([NH3+])c1ccn(CC(=O)N(CC)CC)c1 ZINC000091820681 180264033 /nfs/dbraw/zinc/26/40/33/180264033.db2.gz YCBSWVOQRYDKOM-CYBMUJFWSA-N 1 0 251.374 2.156 10 0 CEAERO C[NH2+][C@@H](c1ccn(CC(=O)NCC(C)C)c1)C(C)C ZINC000091827244 180264676 /nfs/dbraw/zinc/26/46/76/180264676.db2.gz AHFOKYYBDQWNAI-OAHLLOKOSA-N 1 0 265.401 2.177 10 0 CEAERO CC[NH2+][C@@H](c1ccn(CC(=O)OCC)c1)C(C)C ZINC000091827549 180265016 /nfs/dbraw/zinc/26/50/16/180265016.db2.gz IFTQDIMGEUEYAN-CQSZACIVSA-N 1 0 252.358 2.358 10 0 CEAERO CC[NH2+][C@H](c1ccn(CCn2ccnc2)c1)C1CC1 ZINC000091837965 180267970 /nfs/dbraw/zinc/26/79/70/180267970.db2.gz DQVCQSTVAYVBPB-HNNXBMFYSA-N 1 0 258.369 2.445 10 0 CEAERO CCN(C(=O)c1cccc(N(C)C)c1)C1CCC([NH3+])CC1 ZINC000091850101 180271771 /nfs/dbraw/zinc/27/17/71/180271771.db2.gz KAKFDNBDOIAAIM-UHFFFAOYSA-N 1 0 289.423 2.485 10 0 CEAERO CCN(C(=O)CC[C@@H]1CCCCO1)C1CCC([NH3+])CC1 ZINC000091850174 180272224 /nfs/dbraw/zinc/27/22/24/180272224.db2.gz GGGLNLJYKUZCSG-NRXISQOPSA-N 1 0 282.428 2.454 10 0 CEAERO CCn1cncc1[C@@H](O)[C@@]1(C[NH3+])CCCc2ccccc21 ZINC000091926165 180287532 /nfs/dbraw/zinc/28/75/32/180287532.db2.gz POMMJZBAZYRXIS-IAGOWNOFSA-N 1 0 285.391 2.169 10 0 CEAERO CCCn1cncc1[C@H](O)[C@@]1(C[NH3+])CCc2ccccc21 ZINC000091926350 180287734 /nfs/dbraw/zinc/28/77/34/180287734.db2.gz QKJCZZXURQAOOW-DLBZAZTESA-N 1 0 285.391 2.169 10 0 CEAERO CC[NH2+]Cc1ncoc1-c1cc(OC)ccc1OC ZINC000091957753 180292423 /nfs/dbraw/zinc/29/24/23/180292423.db2.gz JPYIDTXHEAAMDS-UHFFFAOYSA-N 1 0 262.309 2.468 10 0 CEAERO COCC[NH2+]Cc1ncoc1-c1c(OC)cccc1OC ZINC000091959642 180292590 /nfs/dbraw/zinc/29/25/90/180292590.db2.gz XVKRECLGNOIFOO-UHFFFAOYSA-N 1 0 292.335 2.095 10 0 CEAERO Cc1ccc(N(CCC[NH3+])C(=O)N2CCCC2)cc1 ZINC000091962944 180293069 /nfs/dbraw/zinc/29/30/69/180293069.db2.gz PNASORCSNNMPPP-UHFFFAOYSA-N 1 0 261.369 2.366 10 0 CEAERO CCN(CC)C(=O)N(CCC[NH3+])c1cccc(F)c1 ZINC000091961434 180293237 /nfs/dbraw/zinc/29/32/37/180293237.db2.gz TXNIHSZLTFAQFR-UHFFFAOYSA-N 1 0 267.348 2.443 10 0 CEAERO O=C(N1CCCC1)N1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000091968340 180293936 /nfs/dbraw/zinc/29/39/36/180293936.db2.gz VUGJFGDGMQWSCB-OAHLLOKOSA-N 1 0 279.428 2.446 10 0 CEAERO CCOc1cccc(N(C)C2CCC([NH2+]C)CC2)n1 ZINC000091870911 180277171 /nfs/dbraw/zinc/27/71/71/180277171.db2.gz URTQDXXUMVTRRW-UHFFFAOYSA-N 1 0 263.385 2.447 10 0 CEAERO CCOc1cc(NC2CCC([NH2+]C)CC2)nc(C)n1 ZINC000091873571 180278816 /nfs/dbraw/zinc/27/88/16/180278816.db2.gz AQLKAJMUQSWVNW-UHFFFAOYSA-N 1 0 264.373 2.126 10 0 CEAERO C[NH2+]C1CCC(N(C)c2cc3ccccc3c(=O)[nH]2)CC1 ZINC000091873641 180278878 /nfs/dbraw/zinc/27/88/78/180278878.db2.gz DBUJSIXQNJFUSB-UHFFFAOYSA-N 1 0 285.391 2.495 10 0 CEAERO CC[C@](O)(C(C)C)[C@@]1(C[NH3+])CCOc2ccccc21 ZINC000091906653 180284014 /nfs/dbraw/zinc/28/40/14/180284014.db2.gz FZERNXJNHUVXAV-CVEARBPZSA-N 1 0 263.381 2.463 10 0 CEAERO Cc1ccc([C@@H](O)[C@@]2(C[NH3+])COc3ccccc3C2)o1 ZINC000091909204 180284673 /nfs/dbraw/zinc/28/46/73/180284673.db2.gz NXNVXPZLOUMKDH-CVEARBPZSA-N 1 0 273.332 2.202 10 0 CEAERO CC[C@](C)(C[NH3+])[C@H](O)c1cccc(OC)c1OC ZINC000091910464 180285265 /nfs/dbraw/zinc/28/52/65/180285265.db2.gz MLAAPFQYWAEMOM-ZIAGYGMSSA-N 1 0 253.342 2.112 10 0 CEAERO CC[C@@H](C[NH3+])[C@H](O)c1ccc(OC)c(OC)c1Cl ZINC000091912691 180285275 /nfs/dbraw/zinc/28/52/75/180285275.db2.gz UHWZTBYIOVFUCO-UFBFGSQYSA-N 1 0 273.760 2.376 10 0 CEAERO [NH3+]C[C@]1([C@@H](O)C2CCOCC2)CCCc2ccccc21 ZINC000091913464 180285366 /nfs/dbraw/zinc/28/53/66/180285366.db2.gz NLQBZJIHHJDTKL-DLBZAZTESA-N 1 0 275.392 2.007 10 0 CEAERO [NH3+]CC1([C@@H](O)Cc2ccccc2)Cc2ccccc2C1 ZINC000091914056 180285962 /nfs/dbraw/zinc/28/59/62/180285962.db2.gz KYPVPNVPSKYSLW-KRWDZBQOSA-N 1 0 267.372 2.334 10 0 CEAERO CCC[C@@H]1C[C@@](O)(C2(C[NH3+])Cc3ccccc3C2)CCO1 ZINC000091918787 180286783 /nfs/dbraw/zinc/28/67/83/180286783.db2.gz VUAZPEZYPSNIII-SJLPKXTDSA-N 1 0 289.419 2.441 10 0 CEAERO CC1(C)C[C@](O)([C@@]2(C[NH3+])CCc3ccccc32)CCO1 ZINC000091918945 180286944 /nfs/dbraw/zinc/28/69/44/180286944.db2.gz OGXWQSYNUFISMS-SJORKVTESA-N 1 0 275.392 2.149 10 0 CEAERO CC(C)n1cncc1[C@@H](O)[C@@]1(C[NH3+])CC[C@@H](C)C1 ZINC000091926493 180287273 /nfs/dbraw/zinc/28/72/73/180287273.db2.gz LBIOBSVUBVOWGJ-BNOWGMLFSA-N 1 0 251.374 2.263 10 0 CEAERO CCN1CCO[C@@H](COC2(C[NH3+])CCC(C(C)C)CC2)C1 ZINC000092050599 180312113 /nfs/dbraw/zinc/31/21/13/180312113.db2.gz XKSSBPBIMPVTGW-AQFXKWCLSA-N 1 0 298.471 2.267 10 0 CEAERO C[C@@H]([NH2+]Cc1cnc2cnc(Br)cn12)C1CC1 ZINC000092049240 180312180 /nfs/dbraw/zinc/31/21/80/180312180.db2.gz GALLKZILLSKPHR-MRVPVSSYSA-N 1 0 295.184 2.380 10 0 CEAERO CC[NH+](CC)c1ccc(NC[C@@H]2CN(C)CCO2)cc1 ZINC000092055901 180314327 /nfs/dbraw/zinc/31/43/27/180314327.db2.gz PNGCAVGNNXJUGY-MRXNPFEDSA-N 1 0 277.412 2.275 10 0 CEAERO CC[C@H]([NH3+])Cc1ccccc1OC[C@@H]1CN(CC)CCO1 ZINC000092060631 180315662 /nfs/dbraw/zinc/31/56/62/180315662.db2.gz QBPRMWONHCROPC-HOTGVXAUSA-N 1 0 292.423 2.066 10 0 CEAERO C[C@@H]([NH3+])C1CCN(C(=O)N2CCCCCC2)CC1 ZINC000091971626 180295454 /nfs/dbraw/zinc/29/54/54/180295454.db2.gz UJDDTOGBJHKPQW-GFCCVEGCSA-N 1 0 253.390 2.042 10 0 CEAERO NC(=[NH2+])[C@H](NC(=O)N1CCCCCC1)c1ccccc1 ZINC000091971992 180295634 /nfs/dbraw/zinc/29/56/34/180295634.db2.gz DKOJKKBNTVUFIW-CYBMUJFWSA-N 1 0 274.368 2.249 10 0 CEAERO CCN(C(=O)N1CCC[C@@H](C)C1)C1(C[NH3+])CCCC1 ZINC000091972911 180296227 /nfs/dbraw/zinc/29/62/27/180296227.db2.gz WOAVGLOYBAPREM-CYBMUJFWSA-N 1 0 267.417 2.432 10 0 CEAERO C[C@H]1CCCN(C(=O)N(C)CCC2CC[NH2+]CC2)C1 ZINC000091973184 180297013 /nfs/dbraw/zinc/29/70/13/180297013.db2.gz XRXORDKOLDDKBF-ZDUSSCGKSA-N 1 0 267.417 2.160 10 0 CEAERO C[C@H]1CCCN(C(=O)Nc2cccc(C(N)=[NH2+])c2)C1 ZINC000091993284 180300328 /nfs/dbraw/zinc/30/03/28/180300328.db2.gz KQNIBJVFZVUMQK-JTQLQIEISA-N 1 0 260.341 2.234 10 0 CEAERO CC1CCN(C(=O)N[C@]2(C[NH3+])CCC[C@@H](C)C2)CC1 ZINC000091993184 180300502 /nfs/dbraw/zinc/30/05/02/180300502.db2.gz XADLDBIPDODDPH-UKRRQHHQSA-N 1 0 267.417 2.336 10 0 CEAERO Cc1nn(C)c(COc2ccc(C)nc2C[NH3+])c1Cl ZINC000091994130 180301343 /nfs/dbraw/zinc/30/13/43/180301343.db2.gz BTQIKRVSPGRTMJ-UHFFFAOYSA-N 1 0 280.759 2.123 10 0 CEAERO COCC[NH2+]Cc1nc(C)ccc1OCC=C(C)C ZINC000091996492 180301894 /nfs/dbraw/zinc/30/18/94/180301894.db2.gz OUDRAQYTMAYYMQ-UHFFFAOYSA-N 1 0 264.369 2.471 10 0 CEAERO Cc1ccc(O[C@@H]2CCC[C@H]2O)c(C[NH2+]C(C)C)n1 ZINC000091995529 180301915 /nfs/dbraw/zinc/30/19/15/180301915.db2.gz QGZJWEPFCKQJQZ-UKRRQHHQSA-N 1 0 264.369 2.180 10 0 CEAERO CC(C)Oc1nc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1N ZINC000092001615 180303645 /nfs/dbraw/zinc/30/36/45/180303645.db2.gz HRKAQDIJMYJREH-OLZOCXBDSA-N 1 0 290.411 2.124 10 0 CEAERO Cc1cccc(C(=O)CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000092002107 180304209 /nfs/dbraw/zinc/30/42/09/180304209.db2.gz JKMYDNLOAYLMDX-CVEARBPZSA-N 1 0 272.392 2.346 10 0 CEAERO CNc1c(F)cccc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092023885 180308468 /nfs/dbraw/zinc/30/84/68/180308468.db2.gz ADJSBHYFBXWCGY-NEPJUHHUSA-N 1 0 291.370 2.176 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000092132961 180330793 /nfs/dbraw/zinc/33/07/93/180330793.db2.gz CGNKFYRLWMUZDG-UWVGGRQHSA-N 1 0 299.212 2.482 10 0 CEAERO CC[C@H](C)n1ccc(C[C@@H]([NH2+]C)C(C)(C)OC)n1 ZINC000092138868 180333498 /nfs/dbraw/zinc/33/34/98/180333498.db2.gz DXQMTSPKPPJCQQ-WCQYABFASA-N 1 0 253.390 2.410 10 0 CEAERO COC(C)(C)c1noc([C@@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000092138088 180333614 /nfs/dbraw/zinc/33/36/14/180333614.db2.gz VGUTVWQNVSYUAZ-NXEZZACHSA-N 1 0 253.346 2.184 10 0 CEAERO CCC[NH2+][C@@H](Cc1ncnn1CCC)C(C)(C)OC ZINC000092140479 180333703 /nfs/dbraw/zinc/33/37/03/180333703.db2.gz ZMQLUFOQYKKTDX-LBPRGKRZSA-N 1 0 268.405 2.024 10 0 CEAERO CCCC[NH+]1CCN(Cc2cnc(C)s2)CC1 ZINC000105814939 186072845 /nfs/dbraw/zinc/07/28/45/186072845.db2.gz RCNDUDRPINVFLS-UHFFFAOYSA-N 1 0 253.415 2.369 10 0 CEAERO Cc1ccc(N)cc1NC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000092080567 180318875 /nfs/dbraw/zinc/31/88/75/180318875.db2.gz SHGXKJOFYDVFHA-XQQFMLRXSA-N 1 0 275.396 2.492 10 0 CEAERO C[C@@H]1C[NH+](CC(=O)Nc2ccc(Cl)c(N)c2)C[C@H]1C ZINC000092080956 180319812 /nfs/dbraw/zinc/31/98/12/180319812.db2.gz ADRUKGNCRBWESZ-NXEZZACHSA-N 1 0 281.787 2.449 10 0 CEAERO CC[C@]1(C)C[C@](CN)([N@@H+]2C[C@H](C)[C@H](C)C2)CCO1 ZINC000092082707 180319967 /nfs/dbraw/zinc/31/99/67/180319967.db2.gz MCHOLMAXZVCHCU-LXTVHRRPSA-N 1 0 254.418 2.251 10 0 CEAERO C[NH2+]Cc1c(N2C[C@H](C)[C@H](C)C2)nc2sccn12 ZINC000092086487 180320400 /nfs/dbraw/zinc/32/04/00/180320400.db2.gz IRHCMQCFKSYCPV-AOOOYVTPSA-N 1 0 264.398 2.207 10 0 CEAERO C[C@H]1C[N@H+](CCCC[C@](C)([NH2+]C2CC2)C(=O)[O-])C[C@H]1C ZINC000092087533 180321395 /nfs/dbraw/zinc/32/13/95/180321395.db2.gz YCXZIKKEMIOLHP-ZENOOKHLSA-N 1 0 282.428 2.340 10 0 CEAERO C[C@H]1CN(CC[NH2+]CCc2ccsc2)C[C@@H]1C ZINC000092089560 180321837 /nfs/dbraw/zinc/32/18/37/180321837.db2.gz XQLNEJLOGNSTOC-STQMWFEESA-N 1 0 252.427 2.468 10 0 CEAERO C[C@H]1C[N@H+](C[C@](CO)(NC2CC2)c2ccccc2)C[C@H]1C ZINC000092090250 180322323 /nfs/dbraw/zinc/32/23/23/180322323.db2.gz OWKKUMUCUAWKHC-RVKKMQEKSA-N 1 0 288.435 2.214 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)Nc2cccc(OC(F)(F)F)c2)C1 ZINC000092201641 180342819 /nfs/dbraw/zinc/34/28/19/180342819.db2.gz QKUCIUHJPDCQIO-BDAKNGLRSA-N 1 0 286.253 2.427 10 0 CEAERO CCc1ccc(CN(C)C(=O)[C@@H]2C=C[C@H]([NH3+])C2)cc1 ZINC000092202077 180342966 /nfs/dbraw/zinc/34/29/66/180342966.db2.gz QCTSMMNLIRWFNT-CABCVRRESA-N 1 0 258.365 2.111 10 0 CEAERO COc1c(C)ccc(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)c1C ZINC000092202281 180342985 /nfs/dbraw/zinc/34/29/85/180342985.db2.gz CYLDRPNEMUXILD-NEPJUHHUSA-N 1 0 260.337 2.154 10 0 CEAERO CC(C)Oc1ccccc1NC(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092202282 180342994 /nfs/dbraw/zinc/34/29/94/180342994.db2.gz AZHFZXLDJJKSCF-NWDGAFQWSA-N 1 0 260.337 2.316 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)N(Cc2cccs2)C2CC2)C1 ZINC000092204856 180343653 /nfs/dbraw/zinc/34/36/53/180343653.db2.gz YUSQUAZHOKISJR-MNOVXSKESA-N 1 0 262.378 2.143 10 0 CEAERO COc1ccc(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)cc1OC(F)F ZINC000092203785 180343792 /nfs/dbraw/zinc/34/37/92/180343792.db2.gz IKRASLDAUISIFJ-DTWKUNHWSA-N 1 0 298.289 2.139 10 0 CEAERO CN(Cc1ccccc1Cl)C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092204402 180343795 /nfs/dbraw/zinc/34/37/95/180343795.db2.gz JTPJZQGTUKDEPB-ZYHUDNBSSA-N 1 0 264.756 2.202 10 0 CEAERO CCN(Cc1cccc(F)c1)C(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092204557 180343830 /nfs/dbraw/zinc/34/38/30/180343830.db2.gz GDYGHQPQJKLSTK-GXTWGEPZSA-N 1 0 262.328 2.078 10 0 CEAERO Cc1ccc(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)c2cccnc12 ZINC000092203793 180343945 /nfs/dbraw/zinc/34/39/45/180343945.db2.gz TXACTUARLSZTCT-NWDGAFQWSA-N 1 0 267.332 2.385 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)N(Cc2ccc(F)cc2F)C2CC2)C1 ZINC000092204886 180343958 /nfs/dbraw/zinc/34/39/58/180343958.db2.gz RPCPYXACFMFUFG-ZWNOBZJWSA-N 1 0 292.329 2.359 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)Nc2cccc(-c3cnco3)c2)C1 ZINC000092204222 180343966 /nfs/dbraw/zinc/34/39/66/180343966.db2.gz BTRXMHJPZLDBIA-NEPJUHHUSA-N 1 0 269.304 2.184 10 0 CEAERO C[NH2+]CCc1c(C)nn(C[C@H]2COc3ccccc32)c1C ZINC000092306673 180360108 /nfs/dbraw/zinc/36/01/08/180360108.db2.gz XBTCILDRKOMTOD-AWEZNQCLSA-N 1 0 285.391 2.438 10 0 CEAERO C[C@@H]1c2ccsc2CCN1C(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092205828 180344242 /nfs/dbraw/zinc/34/42/42/180344242.db2.gz ZJTXMQBVUPBQEU-OUAUKWLOSA-N 1 0 262.378 2.097 10 0 CEAERO CC(C)(C)C1CCN(C(=O)[C@@H]2C=C[C@@H]([NH3+])C2)CC1 ZINC000092207224 180344306 /nfs/dbraw/zinc/34/43/06/180344306.db2.gz JHQHIDKPEPKYES-DGCLKSJQSA-N 1 0 250.386 2.175 10 0 CEAERO CC[C@H](NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1)C1CCCCC1 ZINC000092207313 180344398 /nfs/dbraw/zinc/34/43/98/180344398.db2.gz ATQNPPIUDJNXFV-MCIONIFRSA-N 1 0 250.386 2.365 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)Nc2ccc(Br)c(F)c2)C1 ZINC000092208353 180344492 /nfs/dbraw/zinc/34/44/92/180344492.db2.gz UGDSSCNPJXVYHN-JGVFFNPUSA-N 1 0 299.143 2.430 10 0 CEAERO CC(C)(C)[C@H]1CN(C[C@@H]2COc3ccccc32)CC[NH2+]1 ZINC000092307226 180360272 /nfs/dbraw/zinc/36/02/72/180360272.db2.gz JFPJGIYMRLNKFO-CZUORRHYSA-N 1 0 274.408 2.483 10 0 CEAERO C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1Cc2ccccc2S1 ZINC000092231988 180348402 /nfs/dbraw/zinc/34/84/02/180348402.db2.gz RCUBVHCDBAEHBI-DZGCQCFKSA-N 1 0 290.432 2.304 10 0 CEAERO C[NH2+]Cc1cnn(C[C@H]2Cc3ccccc3S2)c1 ZINC000092271203 180355444 /nfs/dbraw/zinc/35/54/44/180355444.db2.gz ACSYUYBBMQFLHP-CYBMUJFWSA-N 1 0 259.378 2.320 10 0 CEAERO C[C@H]([NH3+])Cc1cnn(C[C@@H]2Cc3ccccc3S2)c1 ZINC000092271355 180355873 /nfs/dbraw/zinc/35/58/73/180355873.db2.gz YKZKGZCHPMBPOZ-FZMZJTMJSA-N 1 0 273.405 2.490 10 0 CEAERO c1ccc2c(c1)SC[C@@H]2C[NH2+]CCCN1CCOCC1 ZINC000092274801 180356212 /nfs/dbraw/zinc/35/62/12/180356212.db2.gz ZRVGSUSIOJQWEV-AWEZNQCLSA-N 1 0 292.448 2.188 10 0 CEAERO c1cn(CC[NH2+]C[C@@H]2CSc3ccccc32)cn1 ZINC000092275064 180356268 /nfs/dbraw/zinc/35/62/68/180356268.db2.gz ITTBEVFJFXFZCF-GFCCVEGCSA-N 1 0 259.378 2.362 10 0 CEAERO C[C@@H]([NH2+]C[C@@H]1CSc2ccccc21)c1nncn1C ZINC000092275375 180356317 /nfs/dbraw/zinc/35/63/17/180356317.db2.gz SFVCGDGSYPTHFP-GHMZBOCLSA-N 1 0 274.393 2.355 10 0 CEAERO CC[NH2+]Cc1cn(C[C@H]2Cc3ccccc3S2)nn1 ZINC000092274213 180356777 /nfs/dbraw/zinc/35/67/77/180356777.db2.gz AIZOGZCPGDMHTJ-CYBMUJFWSA-N 1 0 274.393 2.105 10 0 CEAERO CC[C@H](C)[C@@H]1C[NH2+]CCN1C[C@@H]1COc2ccccc21 ZINC000092307270 180360568 /nfs/dbraw/zinc/36/05/68/180360568.db2.gz PGUIFFLWCRVHND-LZWOXQAQSA-N 1 0 274.408 2.483 10 0 CEAERO C[NH2+]Cc1ccn(C[C@@H]2CSc3ccccc32)n1 ZINC000092295451 180358537 /nfs/dbraw/zinc/35/85/37/180358537.db2.gz KXNVKZARHGVZGR-LLVKDONJSA-N 1 0 259.378 2.492 10 0 CEAERO CCOC(=O)[C@@H]1CCC[N@H+](C[C@@H]2COc3ccccc32)C1 ZINC000092305655 180360555 /nfs/dbraw/zinc/36/05/55/180360555.db2.gz RSRVGZICGCJEPB-ZIAGYGMSSA-N 1 0 289.375 2.438 10 0 CEAERO CN(CC[NH2+]C(C)(C)C)C[C@@H]1COc2ccccc21 ZINC000092302703 180359410 /nfs/dbraw/zinc/35/94/10/180359410.db2.gz CEMYHRZTWNAPGG-CYBMUJFWSA-N 1 0 262.397 2.483 10 0 CEAERO CCn1c(C[NH3+])nnc1SC[C@H]1COc2ccccc21 ZINC000092302481 180359417 /nfs/dbraw/zinc/35/94/17/180359417.db2.gz YYQMSNNDKDPABH-SNVBAGLBSA-N 1 0 290.392 2.025 10 0 CEAERO CC(=O)C1CC[NH+](C[C@H]2COc3ccccc32)CC1 ZINC000092301870 180359542 /nfs/dbraw/zinc/35/95/42/180359542.db2.gz FXDDLKYMSCSYTB-AWEZNQCLSA-N 1 0 259.349 2.464 10 0 CEAERO C[NH+](C)[C@H]1CC[C@@H](NC(=O)Nc2ccc3c(c2)COC3)C1 ZINC000092162510 180336008 /nfs/dbraw/zinc/33/60/08/180336008.db2.gz IBIRQZZAHGMKOR-CABCVRRESA-N 1 0 289.379 2.321 10 0 CEAERO CCC[NH2+][C@H](CN1C(=O)C[C@H](C)C1=O)c1ccccc1C ZINC000105832484 186075668 /nfs/dbraw/zinc/07/56/68/186075668.db2.gz CTJRPTWUWYKRCX-DZGCQCFKSA-N 1 0 288.391 2.431 10 0 CEAERO CCOCC[N@@H+]1CCN(Cc2c(C)noc2C)C[C@H]1CC ZINC000105837608 186076387 /nfs/dbraw/zinc/07/63/87/186076387.db2.gz CONHCSZSXAKVSS-OAHLLOKOSA-N 1 0 295.427 2.224 10 0 CEAERO CC(C)CCOCC[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105919346 186089178 /nfs/dbraw/zinc/08/91/78/186089178.db2.gz OOSMSZHQKDAXMS-HNNXBMFYSA-N 1 0 280.416 2.053 10 0 CEAERO CCc1nc(CC(F)(F)F)nc(CC)c1CC[NH2+]C ZINC000092318429 180361887 /nfs/dbraw/zinc/36/18/87/180361887.db2.gz ITWHNPHKIXEBTL-UHFFFAOYSA-N 1 0 275.318 2.468 10 0 CEAERO CCc1nc(N(CC)CC)nc(CC)c1CC[NH2+]C ZINC000092318510 180361895 /nfs/dbraw/zinc/36/18/95/180361895.db2.gz FUICMEZRMAXULY-UHFFFAOYSA-N 1 0 264.417 2.210 10 0 CEAERO CCc1nc(C(C)(C)OC)nc(CC)c1CC[NH2+]C ZINC000092318497 180361970 /nfs/dbraw/zinc/36/19/70/180361970.db2.gz XDRKQOBHFABNJC-UHFFFAOYSA-N 1 0 265.401 2.245 10 0 CEAERO C[C@H](c1ccc(F)cc1F)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105924276 186091525 /nfs/dbraw/zinc/09/15/25/186091525.db2.gz GPYUIEOHEBRRFO-DGCLKSJQSA-N 1 0 284.350 2.288 10 0 CEAERO CC(C)Oc1ccccc1CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000105923929 186091578 /nfs/dbraw/zinc/09/15/78/186091578.db2.gz SOPMVUJDEHHSEY-INIZCTEOSA-N 1 0 292.423 2.236 10 0 CEAERO CCC[NH2+]CCc1c(CC)nn(-c2ncccn2)c1CC ZINC000092321515 180362533 /nfs/dbraw/zinc/36/25/33/180362533.db2.gz WOOZGVMZULIMSG-UHFFFAOYSA-N 1 0 287.411 2.329 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH2+]CC(OC)OC)CCC2 ZINC000092383682 180372980 /nfs/dbraw/zinc/37/29/80/180372980.db2.gz YPMVUPKJLVRNQK-CQSZACIVSA-N 1 0 265.353 2.281 10 0 CEAERO Cc1noc(C)c1[C@H](C)N[C@@H]1CCC[N@H+](C)CC1 ZINC000092328420 180363090 /nfs/dbraw/zinc/36/30/90/180363090.db2.gz LCEBSIPDPWGTGY-GXFFZTMASA-N 1 0 251.374 2.426 10 0 CEAERO Cc1nn(C)c(C)c1C[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000092330990 180364570 /nfs/dbraw/zinc/36/45/70/180364570.db2.gz REERDTYQIFCXPK-AWEZNQCLSA-N 1 0 289.354 2.269 10 0 CEAERO CC[C@@H]1CN(Cc2ccccc2F)CC[N@@H+]1CCOC ZINC000106113390 186102765 /nfs/dbraw/zinc/10/27/65/186102765.db2.gz TTYZOLWKKXVPJI-OAHLLOKOSA-N 1 0 280.387 2.368 10 0 CEAERO Cc1cnn(C[C@@H]2C[N@H+](CC3CCCCC3)CCO2)c1 ZINC000106194277 186103818 /nfs/dbraw/zinc/10/38/18/186103818.db2.gz OSQMHYHTCYTFHA-INIZCTEOSA-N 1 0 277.412 2.473 10 0 CEAERO C[C@@H](C[NH3+])[C@@H](O)c1cc(Cl)c2c(c1)OCCCO2 ZINC000106205507 186104141 /nfs/dbraw/zinc/10/41/41/186104141.db2.gz XNXZYXNTJRMQIZ-QPUJVOFHSA-N 1 0 271.744 2.130 10 0 CEAERO CC(C)[C@H](C)NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106428765 186116827 /nfs/dbraw/zinc/11/68/27/186116827.db2.gz LCPUVGZKRYMKMR-DZGCQCFKSA-N 1 0 262.397 2.320 10 0 CEAERO CC[C@H](C)[C@@H]1CN(Cc2c(C)noc2C)CC[NH2+]1 ZINC000092342592 180366018 /nfs/dbraw/zinc/36/60/18/180366018.db2.gz KFJXQEHSWUSMOX-HZMBPMFUSA-N 1 0 251.374 2.111 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(Cc2c(C)noc2C)CC[NH2+]1 ZINC000092342591 180366110 /nfs/dbraw/zinc/36/61/10/180366110.db2.gz KFJXQEHSWUSMOX-YGRLFVJLSA-N 1 0 251.374 2.111 10 0 CEAERO Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2N)cc[nH+]1 ZINC000092348779 180367106 /nfs/dbraw/zinc/36/71/06/180367106.db2.gz WOGWREDGGZTYGD-UHFFFAOYSA-N 1 0 297.767 2.426 10 0 CEAERO Cc1cc(NS(=O)(=O)c2c(C)cccc2N)cc[nH+]1 ZINC000092348713 180367331 /nfs/dbraw/zinc/36/73/31/180367331.db2.gz IOAMWLKSZMLZMG-UHFFFAOYSA-N 1 0 277.349 2.081 10 0 CEAERO C[C@H]1CCC[C@H](C[NH3+])N1Cc1cccc(Cl)n1 ZINC000092366798 180368739 /nfs/dbraw/zinc/36/87/39/180368739.db2.gz DGFAZOLZRBBHRZ-CMPLNLGQSA-N 1 0 253.777 2.437 10 0 CEAERO C[C@@H]1CN(Cc2ccnc3ccccc23)CCC[NH2+]1 ZINC000092365799 180368752 /nfs/dbraw/zinc/36/87/52/180368752.db2.gz GIGGCBJQJMDXIP-CYBMUJFWSA-N 1 0 255.365 2.419 10 0 CEAERO CCN(Cc1cccc(Cl)n1)[C@@H]1CCC[NH2+]C1 ZINC000092366781 180369042 /nfs/dbraw/zinc/36/90/42/180369042.db2.gz BORBACHJABXBKX-GFCCVEGCSA-N 1 0 253.777 2.309 10 0 CEAERO CC[NH+](CC)[C@@H]1CCN(Cc2cccc(NC)n2)C1 ZINC000092370594 180369706 /nfs/dbraw/zinc/36/97/06/180369706.db2.gz GWTORIFGOTXEKK-CQSZACIVSA-N 1 0 262.401 2.039 10 0 CEAERO CC[C@H](C)[N@H+](CCOC)Cc1cccc(NC)n1 ZINC000092369653 180370128 /nfs/dbraw/zinc/37/01/28/180370128.db2.gz HMEJZGKIAGCPHG-LBPRGKRZSA-N 1 0 251.374 2.370 10 0 CEAERO CCC[C@H]1CCC(=O)N(Cc2cccc(NN)[nH+]2)CC1 ZINC000092371170 180370195 /nfs/dbraw/zinc/37/01/95/180370195.db2.gz CUJNJGAAOHHYDK-LBPRGKRZSA-N 1 0 276.384 2.296 10 0 CEAERO CCc1nccn1[C@H]1CCC[N@H+](CCCOC)C1 ZINC000105897573 186085340 /nfs/dbraw/zinc/08/53/40/186085340.db2.gz DHTUDJNWJZKURE-ZDUSSCGKSA-N 1 0 251.374 2.119 10 0 CEAERO COC(=O)CC[NH2+][C@H]1CCCc2ccc(OC)cc21 ZINC000092383501 180372832 /nfs/dbraw/zinc/37/28/32/180372832.db2.gz ZYUQQBIEYOZCFA-AWEZNQCLSA-N 1 0 263.337 2.225 10 0 CEAERO COc1ccc2c(c1)[C@H](O)[C@H]([N@H+](C)CC1CC1)CC2 ZINC000092387823 180374507 /nfs/dbraw/zinc/37/45/07/180374507.db2.gz YZSFTKUMIPDDTD-CVEARBPZSA-N 1 0 261.365 2.385 10 0 CEAERO COc1ccc(CC[NH3+])c(OCc2cccc(C)n2)c1 ZINC000092431968 180384275 /nfs/dbraw/zinc/38/42/75/180384275.db2.gz MQBBNAQYNBQZRY-UHFFFAOYSA-N 1 0 272.348 2.479 10 0 CEAERO C[C@H](NC(=O)[C@H](Cc1ccccc1)[NH+](C)C)c1cccnc1 ZINC000106901661 186148512 /nfs/dbraw/zinc/14/85/12/186148512.db2.gz BPSWGRWLRRUBHE-YOEHRIQHSA-N 1 0 297.402 2.432 10 0 CEAERO C[NH2+]C[C@H]1CCCN(Cc2cc(Cl)ccn2)C1 ZINC000092417127 180381397 /nfs/dbraw/zinc/38/13/97/180381397.db2.gz XWAYVMDATOSTBN-LLVKDONJSA-N 1 0 253.777 2.166 10 0 CEAERO CCCNc1cc[nH+]c(CN(CCC)CC(=O)N(C)C)c1 ZINC000092418938 180382011 /nfs/dbraw/zinc/38/20/11/180382011.db2.gz GHRINFGZGMUKNF-UHFFFAOYSA-N 1 0 292.427 2.204 10 0 CEAERO Cc1cccc(COc2ccc3c(c2)OC[C@@H]3[NH3+])n1 ZINC000092427678 180383847 /nfs/dbraw/zinc/38/38/47/180383847.db2.gz XIYPZRLCZQYQRE-AWEZNQCLSA-N 1 0 256.305 2.361 10 0 CEAERO CCCOCCO[C@H]1CCc2ccc(OC)cc2[C@@H]1[NH3+] ZINC000092386824 180373624 /nfs/dbraw/zinc/37/36/24/180373624.db2.gz SEGWJKLDCYGKRA-HOTGVXAUSA-N 1 0 279.380 2.453 10 0 CEAERO CCOCCO[C@@H]1CCc2ccc(OC)cc2[C@H]1[NH3+] ZINC000092386397 180373816 /nfs/dbraw/zinc/37/38/16/180373816.db2.gz QCUHETCOTWIWFH-HUUCEWRRSA-N 1 0 265.353 2.063 10 0 CEAERO CC[NH2+][C@H]1c2cc(OC)ccc2CC[C@@H]1N(C)CCOC ZINC000092385708 180373923 /nfs/dbraw/zinc/37/39/23/180373923.db2.gz XQOFVVFOVTTYMD-IRXDYDNUSA-N 1 0 292.423 2.239 10 0 CEAERO CC(C)(C)N1CCN(C(=[NH2+])Nc2ccccc2)CC1 ZINC000107074566 186159082 /nfs/dbraw/zinc/15/90/82/186159082.db2.gz BFLJMARKABAUBE-UHFFFAOYSA-N 1 0 260.385 2.449 10 0 CEAERO CNC(=O)c1ccc(Cl)c(NC(=O)C[NH2+]C(C)(C)C)c1 ZINC000092460688 180389792 /nfs/dbraw/zinc/38/97/92/180389792.db2.gz NDOYVCQSJAXGTC-UHFFFAOYSA-N 1 0 297.786 2.026 10 0 CEAERO CCc1nc(CNC(=O)NC[C@H](C)[NH+](CC)CC)cs1 ZINC000107832700 186194845 /nfs/dbraw/zinc/19/48/45/186194845.db2.gz GAYWJQKBBGMRRE-NSHDSACASA-N 1 0 298.456 2.235 10 0 CEAERO COCC[NH2+]CC(=O)Nc1ccc2sccc2c1 ZINC000092495389 180396548 /nfs/dbraw/zinc/39/65/48/180396548.db2.gz ZQCDEYQNZYXTCS-UHFFFAOYSA-N 1 0 264.350 2.076 10 0 CEAERO COCC[NH2+]CC(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000092495316 180396683 /nfs/dbraw/zinc/39/66/83/180396683.db2.gz HUVGSXFBVBLHLI-ZDUSSCGKSA-N 1 0 292.423 2.397 10 0 CEAERO OC1(C[NH2+][C@@H]2CCSc3ccc(F)cc32)CCOCC1 ZINC000178634450 542250924 /nfs/dbraw/zinc/25/09/24/542250924.db2.gz IOWOPRIXMIIQKP-CYBMUJFWSA-N 1 0 297.395 2.494 10 0 CEAERO CC(C)[C@@H]([NH2+]CC(C)(C)NS(C)(=O)=O)c1ccccc1 ZINC000109041594 186240913 /nfs/dbraw/zinc/24/09/13/186240913.db2.gz PQIHKSOQDKIGQC-CQSZACIVSA-N 1 0 298.452 2.301 10 0 CEAERO Cc1ccc([C@H](C)[NH2+]CC(C)(C)NS(C)(=O)=O)c(C)c1 ZINC000109041896 186240964 /nfs/dbraw/zinc/24/09/64/186240964.db2.gz HCSIEJZDQPVKJR-ZDUSSCGKSA-N 1 0 298.452 2.282 10 0 CEAERO CCNc1cc(CN(C)C[C@H]2CCC[N@@H+]2CC)ccn1 ZINC000092669339 180428032 /nfs/dbraw/zinc/42/80/32/180428032.db2.gz KGFLDFHLWQLSDZ-OAHLLOKOSA-N 1 0 276.428 2.430 10 0 CEAERO CC[NH2+][C@@H](Cc1nc(C[C@@H]2CCCO2)no1)C(C)(C)C ZINC000109495681 186256318 /nfs/dbraw/zinc/25/63/18/186256318.db2.gz IPYOZINHKPBQPS-RYUDHWBXSA-N 1 0 281.400 2.358 10 0 CEAERO CC[NH2+][C@@H]1CCC[C@@H]1c1nc(-c2ccncc2)no1 ZINC000109498338 186256442 /nfs/dbraw/zinc/25/64/42/186256442.db2.gz KQLJRTPDAMFGBD-NWDGAFQWSA-N 1 0 258.325 2.377 10 0 CEAERO C[NH2+][C@H](Cc1nc(-c2ccncc2)no1)C(C)(C)C ZINC000109498395 186256505 /nfs/dbraw/zinc/25/65/05/186256505.db2.gz PCSFQHGRCZMGID-LLVKDONJSA-N 1 0 260.341 2.308 10 0 CEAERO C[NH2+]C1CCC(c2nc(C[C@H]3CCCO3)no2)CC1 ZINC000109495877 186257081 /nfs/dbraw/zinc/25/70/81/186257081.db2.gz MIEQQQMFLHKVMB-HTAVTVPLSA-N 1 0 265.357 2.037 10 0 CEAERO CC[NH2+][C@@H](Cc1nc(-c2ncccn2)no1)C(C)(C)C ZINC000109505435 186257132 /nfs/dbraw/zinc/25/71/32/186257132.db2.gz LADFRZRFZJZSCP-JTQLQIEISA-N 1 0 275.356 2.093 10 0 CEAERO COc1ccc(-c2noc(C[C@H]([NH3+])C(C)C)n2)cc1OC ZINC000109505646 186257548 /nfs/dbraw/zinc/25/75/48/186257548.db2.gz XDDASMJNHSEJNY-NSHDSACASA-N 1 0 291.351 2.280 10 0 CEAERO C[NH2+][C@@H]1CCCCC[C@@H]1c1nc(-c2ncccn2)no1 ZINC000109505335 186257582 /nfs/dbraw/zinc/25/75/82/186257582.db2.gz MHOCRAJMFZDPIG-WDEREUQCSA-N 1 0 273.340 2.162 10 0 CEAERO CCC[NH2+][C@H](C)[C@H](CC)c1nc(-c2ncccn2)no1 ZINC000109505431 186257611 /nfs/dbraw/zinc/25/76/11/186257611.db2.gz XDSAEHKMMHCPKS-MNOVXSKESA-N 1 0 275.356 2.408 10 0 CEAERO C[NH2+][C@@H](C)Cc1nc(-c2ccc3ccccc3n2)no1 ZINC000109515205 186258633 /nfs/dbraw/zinc/25/86/33/186258633.db2.gz RFPROQBEJVTRJZ-JTQLQIEISA-N 1 0 268.320 2.435 10 0 CEAERO NNc1[nH+]c(Cc2ccncc2)nc2c1CCCCC2 ZINC000109522307 186258888 /nfs/dbraw/zinc/25/88/88/186258888.db2.gz JNEKAZAYHXXDAM-UHFFFAOYSA-N 1 0 269.352 2.017 10 0 CEAERO CC[C@@H]([NH3+])Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000109520945 186259521 /nfs/dbraw/zinc/25/95/21/186259521.db2.gz PHDWIKSIAODVBM-SSDOTTSWSA-N 1 0 271.242 2.434 10 0 CEAERO CC(C)n1ccnc(NCc2ccc(C[NH3+])cc2F)c1=O ZINC000109540675 186261312 /nfs/dbraw/zinc/26/13/12/186261312.db2.gz ZTYZUWZXLYDTKS-UHFFFAOYSA-N 1 0 290.342 2.034 10 0 CEAERO c1ccc(C[C@H]2CSC(N[C@H]3CCCOC3)=[NH+]2)cc1 ZINC000109548881 186261885 /nfs/dbraw/zinc/26/18/85/186261885.db2.gz MCZWEECRIFYCSV-KBPBESRZSA-N 1 0 276.405 2.469 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(NC(=O)N[C@H]2CCCOC2)cc1 ZINC000109552718 186262724 /nfs/dbraw/zinc/26/27/24/186262724.db2.gz GEXUAZVRDJEXJO-FZMZJTMJSA-N 1 0 277.368 2.268 10 0 CEAERO C[C@@H]([NH3+])c1cccc(NC(=O)N[C@H]2CCCOC2)c1 ZINC000109552768 186262839 /nfs/dbraw/zinc/26/28/39/186262839.db2.gz BXVBUTIWOWNRFX-MFKMUULPSA-N 1 0 263.341 2.007 10 0 CEAERO C[NH2+][C@@H]1c2ccc(-n3nc(C)c(C)c3C)cc2NC1=O ZINC000109572968 186263814 /nfs/dbraw/zinc/26/38/14/186263814.db2.gz GHSGHFCHDXIYSJ-CQSZACIVSA-N 1 0 270.336 2.010 10 0 CEAERO CN(Cc1cnn(C)c1)c1cc(CO)[nH+]c2ccccc21 ZINC000109594497 186265344 /nfs/dbraw/zinc/26/53/44/186265344.db2.gz VUPFKJPHWDXTBF-UHFFFAOYSA-N 1 0 282.347 2.097 10 0 CEAERO COc1ccccc1NC(=S)N1CCC[C@@H]1C[NH+](C)C ZINC000109671244 186268825 /nfs/dbraw/zinc/26/88/25/186268825.db2.gz WRABJVRKGBXQAD-GFCCVEGCSA-N 1 0 293.436 2.418 10 0 CEAERO CC(C)[N@H+](C)CCCCNC(=O)OCC(F)(F)F ZINC000109747079 186270494 /nfs/dbraw/zinc/27/04/94/186270494.db2.gz ZQGHJCUPBALLLK-UHFFFAOYSA-N 1 0 270.295 2.395 10 0 CEAERO CCC[C@@H]1CCc2nc(CN3CC[NH2+]CC3)sc2C1 ZINC000109432323 186252386 /nfs/dbraw/zinc/25/23/86/186252386.db2.gz NLMGLXGMUCGVAZ-GFCCVEGCSA-N 1 0 279.453 2.453 10 0 CEAERO CCC[C@@H](C)C(=O)N1CC[NH+]([C@H](CCC)C(N)=S)CC1 ZINC000109464274 186254043 /nfs/dbraw/zinc/25/40/43/186254043.db2.gz BRWQPEPXLCQQCE-CHWSQXEVSA-N 1 0 299.484 2.022 10 0 CEAERO CCC[C@H](C[NH3+])N1CCN(Cc2ccc(F)cc2F)CC1 ZINC000109461762 186254254 /nfs/dbraw/zinc/25/42/54/186254254.db2.gz JUGMOPLCTPZYES-OAHLLOKOSA-N 1 0 297.393 2.210 10 0 CEAERO CCCCCC[NH2+]CCSc1nnc(C)n1C ZINC000110250102 186288571 /nfs/dbraw/zinc/28/85/71/186288571.db2.gz JTLOSLMYKLAVDT-UHFFFAOYSA-N 1 0 256.419 2.386 10 0 CEAERO C[NH2+][C@@H]1CCCc2nc(-c3cccc(C)n3)ncc21 ZINC000110475616 186297920 /nfs/dbraw/zinc/29/79/20/186297920.db2.gz FTCBAWXPSWJFEE-GFCCVEGCSA-N 1 0 254.337 2.444 10 0 CEAERO CC[C@@H]([NH3+])[C@H](O[C@@H]1CCOC1)c1ccccc1F ZINC000110525791 186301297 /nfs/dbraw/zinc/30/12/97/186301297.db2.gz YLDQTRIZGTXKBS-LERXQTSPSA-N 1 0 253.317 2.410 10 0 CEAERO [NH3+]C[C@H](C(=O)Nc1nc2ccccc2[nH]1)c1ccccc1 ZINC000110537941 186301602 /nfs/dbraw/zinc/30/16/02/186301602.db2.gz FDDSIXLFCMTEHK-LBPRGKRZSA-N 1 0 280.331 2.244 10 0 CEAERO COc1ccc([C@@H](C)[NH3+])cc1CO[C@H]1CCOC1 ZINC000110526951 186301622 /nfs/dbraw/zinc/30/16/22/186301622.db2.gz FRDASNCTWBDPBV-MFKMUULPSA-N 1 0 251.326 2.020 10 0 CEAERO CC(C)(C)[NH2+]Cc1cccnc1O[C@@H]1CCOC1 ZINC000110532449 186301711 /nfs/dbraw/zinc/30/17/11/186301711.db2.gz KKHGFQMCLLAYDW-GFCCVEGCSA-N 1 0 250.342 2.137 10 0 CEAERO CC[NH2+]C[C@H](O[C@@H]1CCOC1)c1ccc(OC)cc1 ZINC000110529933 186302276 /nfs/dbraw/zinc/30/22/76/186302276.db2.gz VSALLCDCXVAXJX-CABCVRRESA-N 1 0 265.353 2.151 10 0 CEAERO [NH3+]Cc1cccc(NC(=O)[C@H]2COc3ccccc3C2)c1 ZINC000110539579 186302435 /nfs/dbraw/zinc/30/24/35/186302435.db2.gz FAZPIVSZTOFHMZ-CQSZACIVSA-N 1 0 282.343 2.335 10 0 CEAERO CC[C@H]([NH3+])Cc1noc([C@H]2COc3ccccc3C2)n1 ZINC000110541027 186302809 /nfs/dbraw/zinc/30/28/09/186302809.db2.gz VXQANZJPFOWNOQ-NEPJUHHUSA-N 1 0 273.336 2.068 10 0 CEAERO [NH3+][C@H](c1noc([C@@H]2COc3ccccc3C2)n1)C1CC1 ZINC000110540931 186302815 /nfs/dbraw/zinc/30/28/15/186302815.db2.gz AWVYEGUOVXRSRX-AAEUAGOBSA-N 1 0 271.320 2.198 10 0 CEAERO COc1cc2c(cc1F)[nH+]c(N)n2[C@@H]1CCCOC1 ZINC000110630234 186307226 /nfs/dbraw/zinc/30/72/26/186307226.db2.gz AHIZTAFKKMBIGE-MRVPVSSYSA-N 1 0 265.288 2.118 10 0 CEAERO C[N@@H+]1CC[C@@H](CNc2cc(OC(F)F)c(F)cc2N)C1 ZINC000110638207 186307509 /nfs/dbraw/zinc/30/75/09/186307509.db2.gz HRPXUFPTRFFWKC-QMMMGPOBSA-N 1 0 289.301 2.373 10 0 CEAERO COc1ccc(C)cc1C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000110646122 186308891 /nfs/dbraw/zinc/30/88/91/186308891.db2.gz MGAVMYCWIPUELC-GFCCVEGCSA-N 1 0 276.380 2.203 10 0 CEAERO CNc1nc(C[N@@H+]2CCC[C@H](C)CC2)nc2c1cnn2C ZINC000110810139 186325940 /nfs/dbraw/zinc/32/59/40/186325940.db2.gz XMNRDOALFMXMKF-NSHDSACASA-N 1 0 288.399 2.027 10 0 CEAERO COCC[NH2+]Cc1c(C)nn(C)c1N1CCC[C@@H](C)CC1 ZINC000110807709 186325945 /nfs/dbraw/zinc/32/59/45/186325945.db2.gz IMLLWKSZHFIBGY-CYBMUJFWSA-N 1 0 294.443 2.091 10 0 CEAERO C[C@@H]1CCCN(S(=O)(=O)c2ccc(C[NH3+])s2)CC1 ZINC000110816268 186326724 /nfs/dbraw/zinc/32/67/24/186326724.db2.gz UROCTKPZIJLZQG-SNVBAGLBSA-N 1 0 288.438 2.018 10 0 CEAERO COc1ccc([C@H](C[NH3+])N2CCCC2)c(Cl)c1OC ZINC000110827309 186327177 /nfs/dbraw/zinc/32/71/77/186327177.db2.gz ZTWVGZMQYFKIFY-NSHDSACASA-N 1 0 284.787 2.453 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](O)c1ccc(OC)c(OC)c1Cl ZINC000110827610 186327376 /nfs/dbraw/zinc/32/73/76/186327376.db2.gz XNGODKKXEKYHOM-KCJUWKMLSA-N 1 0 259.733 2.128 10 0 CEAERO Cc1ccc([C@@H](SCCS(C)(=O)=O)[C@@H](C)[NH3+])cc1 ZINC000111004240 186341266 /nfs/dbraw/zinc/34/12/66/186341266.db2.gz PMWLFCZQKDLEGL-YPMHNXCESA-N 1 0 287.450 2.161 10 0 CEAERO COC(=O)[C@@](C)(CC[N@H+](C)CC1CCCC1)NC(C)C ZINC000110840959 186328676 /nfs/dbraw/zinc/32/86/76/186328676.db2.gz GXBRDPLYSNYSMP-MRXNPFEDSA-N 1 0 284.444 2.428 10 0 CEAERO CN(CC1CCCC1)c1nc2sccn2c1C[NH3+] ZINC000110838942 186328930 /nfs/dbraw/zinc/32/89/30/186328930.db2.gz GSVZCTRPUMIVLP-UHFFFAOYSA-N 1 0 264.398 2.481 10 0 CEAERO C[C@@H]1C[C@@H](C(=O)N(C)CC2CCCC2)CC[C@@H]1[NH3+] ZINC000110848188 186329203 /nfs/dbraw/zinc/32/92/03/186329203.db2.gz CARYIHBXGDGIMB-XBFCOCLRSA-N 1 0 252.402 2.399 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1cnccn1)c1ccccn1 ZINC000110913079 186332206 /nfs/dbraw/zinc/33/22/06/186332206.db2.gz LKGZQCMMLRFRRP-MFKMUULPSA-N 1 0 260.366 2.442 10 0 CEAERO C[C@@H](CCc1ccc(O)cc1)N(C)[C@@H]1CCC[NH2+]C1 ZINC000110926513 186333142 /nfs/dbraw/zinc/33/31/42/186333142.db2.gz XEHAQRIMEKZMCS-DZGCQCFKSA-N 1 0 262.397 2.397 10 0 CEAERO C=COCCC[NH2+]Cc1[nH]nnc1-c1ccccc1 ZINC000110924493 186333474 /nfs/dbraw/zinc/33/34/74/186333474.db2.gz ADWABBBRBKWCTL-UHFFFAOYSA-N 1 0 258.325 2.112 10 0 CEAERO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1[nH]nnc1-c1ccccc1 ZINC000110925350 186334001 /nfs/dbraw/zinc/33/40/01/186334001.db2.gz IVEZRZGZHCORFQ-GXTWGEPZSA-N 1 0 272.352 2.129 10 0 CEAERO CCN(C(=O)c1ccc(Cl)cc1O)[C@@H]1CCC[NH2+]C1 ZINC000110939361 186334984 /nfs/dbraw/zinc/33/49/84/186334984.db2.gz FSKPMDZZSJVXBN-LLVKDONJSA-N 1 0 282.771 2.260 10 0 CEAERO CCCN(Cc1ccc(OC)c(O)c1)[C@@H]1CCC[NH2+]C1 ZINC000110938327 186335037 /nfs/dbraw/zinc/33/50/37/186335037.db2.gz ODWHHNFSQAANAR-CQSZACIVSA-N 1 0 278.396 2.365 10 0 CEAERO CCN(CCCOCC(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000110943219 186335538 /nfs/dbraw/zinc/33/55/38/186335538.db2.gz OYEYTWDYOMYUFQ-LLVKDONJSA-N 1 0 268.323 2.029 10 0 CEAERO CCCN(CC(=O)N[C@@H]1CCCC[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000110945709 186335676 /nfs/dbraw/zinc/33/56/76/186335676.db2.gz WNDDZQYBYDABPU-ARFHVFGLSA-N 1 0 295.471 2.145 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(C)cc1O[C@@H]1CCS(=O)(=O)C1 ZINC000110960684 186336347 /nfs/dbraw/zinc/33/63/47/186336347.db2.gz RCQVJSKREYXBJC-CHWSQXEVSA-N 1 0 297.420 2.231 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(C)cc1O[C@@H](C)C(=O)NC1CC1 ZINC000110959584 186336884 /nfs/dbraw/zinc/33/68/84/186336884.db2.gz QEBRMDRPAMAKPK-RYUDHWBXSA-N 1 0 276.380 2.321 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(C)cc1O[C@H]1CCOC1=O ZINC000110960782 186338194 /nfs/dbraw/zinc/33/81/94/186338194.db2.gz DQTQXWGMRJQRKB-AAEUAGOBSA-N 1 0 263.337 2.360 10 0 CEAERO C[C@H]1CN([C@@H](C[NH3+])c2ccc(Cl)s2)CCN1C ZINC000110701627 186314905 /nfs/dbraw/zinc/31/49/05/186314905.db2.gz ASWBHIFNJYXZTK-UWVGGRQHSA-N 1 0 273.833 2.037 10 0 CEAERO C[C@H]1CN(c2nc3ccc(N)cc3s2)CC[N@@H+]1C ZINC000110709002 186316073 /nfs/dbraw/zinc/31/60/73/186316073.db2.gz RWVWPOJLBDMYFW-VIFPVBQESA-N 1 0 262.382 2.019 10 0 CEAERO CC[C@@H]1CN(CC(=O)c2cc(C)n(CC)c2C)CC[N@@H+]1C ZINC000110729094 186316856 /nfs/dbraw/zinc/31/68/56/186316856.db2.gz SENZTTFCETWSCJ-OAHLLOKOSA-N 1 0 291.439 2.334 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)N1CCN(CC)[C@H](C)C1 ZINC000110724117 186318091 /nfs/dbraw/zinc/31/80/91/186318091.db2.gz JDHHXOCODJQZCI-CQSZACIVSA-N 1 0 283.460 2.084 10 0 CEAERO C[C@@H]([C@H](O)c1ccccc1)[N@@H+]1CCN(C)C(C)(C)C1 ZINC000110736562 186318978 /nfs/dbraw/zinc/31/89/78/186318978.db2.gz FLTXLUCMNHSJPU-ZFWWWQNUSA-N 1 0 262.397 2.135 10 0 CEAERO Cc1nc(C[NH3+])sc1-c1nc(-c2ccccc2)n[nH]1 ZINC000110791176 186324009 /nfs/dbraw/zinc/32/40/09/186324009.db2.gz AQTQDIUQQZDHKF-UHFFFAOYSA-N 1 0 271.349 2.362 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)Nc1sc(C)cc1C(=O)OCC ZINC000110777773 186324667 /nfs/dbraw/zinc/32/46/67/186324667.db2.gz ULBXGDVPEJOWQT-SNVBAGLBSA-N 1 0 284.381 2.299 10 0 CEAERO O[C@H]1C[NH2+]C[C@@H]1Sc1ncc(C(F)(F)F)cc1Cl ZINC000111060272 186348909 /nfs/dbraw/zinc/34/89/09/186348909.db2.gz UESFULGRNQUCKT-YUMQZZPRSA-N 1 0 298.717 2.179 10 0 CEAERO C[C@H]([NH2+][C@H]1CCC(=O)NC1)c1nc2ccccc2s1 ZINC000111015750 186343985 /nfs/dbraw/zinc/34/39/85/186343985.db2.gz YCWPXEBLWDCVSK-UWVGGRQHSA-N 1 0 275.377 2.226 10 0 CEAERO O=C1CC[C@@H]([NH2+][C@H](c2cccs2)C2CC2)CN1 ZINC000111016182 186344389 /nfs/dbraw/zinc/34/43/89/186344389.db2.gz NBEGWOQRMUNMHB-MFKMUULPSA-N 1 0 250.367 2.067 10 0 CEAERO Cc1cc2c(n1[C@@H]1CCC(=O)NC1)CC(C)(C)C[C@H]2[NH3+] ZINC000111024630 186345760 /nfs/dbraw/zinc/34/57/60/186345760.db2.gz HGPODZODSIXQHN-DGCLKSJQSA-N 1 0 275.396 2.220 10 0 CEAERO NC(=O)[C@H]([NH2+]C1CCCCC1)c1cccc(F)c1F ZINC000111040354 186346452 /nfs/dbraw/zinc/34/64/52/186346452.db2.gz BNJNSWHMUTYYPZ-CYBMUJFWSA-N 1 0 268.307 2.414 10 0 CEAERO CC[C@H](C)N(CCOC)c1ccc(F)cc1C(N)=[NH2+] ZINC000111034325 186346509 /nfs/dbraw/zinc/34/65/09/186346509.db2.gz HRNHUFXLGYTKFH-JTQLQIEISA-N 1 0 267.348 2.361 10 0 CEAERO NC(=[NH2+])c1cc(F)ccc1N1CCCSCC1 ZINC000111033980 186346729 /nfs/dbraw/zinc/34/67/29/186346729.db2.gz ZYDKCEPOUYVNIX-UHFFFAOYSA-N 1 0 253.346 2.053 10 0 CEAERO CN([C@H](C[NH3+])c1cccc(F)c1F)C1CCOCC1 ZINC000111039325 186346800 /nfs/dbraw/zinc/34/68/00/186346800.db2.gz NWNYACGFJABKLD-CYBMUJFWSA-N 1 0 270.323 2.075 10 0 CEAERO CCCCOCCOc1ccc(F)cc1C(N)=[NH2+] ZINC000111035253 186346882 /nfs/dbraw/zinc/34/68/82/186346882.db2.gz BYQGXTQDCAXSDB-UHFFFAOYSA-N 1 0 254.305 2.305 10 0 CEAERO CC[NH2+][C@H](c1cccc(F)c1F)[C@H]1CCS(=O)(=O)C1 ZINC000111037640 186347128 /nfs/dbraw/zinc/34/71/28/186347128.db2.gz JUPODVJJTUDHRD-ZANVPECISA-N 1 0 289.347 2.050 10 0 CEAERO CCCC1(C(=O)Nc2ccncc2C)CC[NH2+]CC1 ZINC000111043692 186347401 /nfs/dbraw/zinc/34/74/01/186347401.db2.gz ZPUZUHYOLCGFBQ-UHFFFAOYSA-N 1 0 261.369 2.498 10 0 CEAERO CN(CCC[NH+](C)C)CCNc1ccc(F)cc1 ZINC000111151043 186360408 /nfs/dbraw/zinc/36/04/08/186360408.db2.gz NFQDUWCUUDMSAH-UHFFFAOYSA-N 1 0 253.365 2.121 10 0 CEAERO COc1cccc([C@H]([C@@H](C)[NH3+])N(C)C[C@@H]2CCCOC2)c1 ZINC000111154617 186361035 /nfs/dbraw/zinc/36/10/35/186361035.db2.gz BCSQAZUBAGCSNV-KEYYUXOJSA-N 1 0 292.423 2.442 10 0 CEAERO COc1ccc([C@@H](N)[C@@H](C)[N@H+](C)C[C@@H]2CCCOC2)cc1 ZINC000111160652 186361433 /nfs/dbraw/zinc/36/14/33/186361433.db2.gz CARVKMHNBURYJH-KEYYUXOJSA-N 1 0 292.423 2.442 10 0 CEAERO CCC[NH2+][C@H]1CCC[C@H]1N(C)C[C@@H]1CCCOC1 ZINC000111160601 186361635 /nfs/dbraw/zinc/36/16/35/186361635.db2.gz FAJKZQIXTNLWJM-SOUVJXGZSA-N 1 0 254.418 2.266 10 0 CEAERO C[NH2+][C@H]1CCCCC[C@@H]1N(C)C[C@@H]1CCCOC1 ZINC000111160978 186361738 /nfs/dbraw/zinc/36/17/38/186361738.db2.gz ULNOWCDWQLAUEB-KKUMJFAQSA-N 1 0 254.418 2.266 10 0 CEAERO C[C@H]([NH3+])[C@H](c1ccco1)N(C)CC1CCOCC1 ZINC000111156436 186362646 /nfs/dbraw/zinc/36/26/46/186362646.db2.gz PMUKFHRLHKZBNX-SMDDNHRTSA-N 1 0 252.358 2.026 10 0 CEAERO CCOCCN(CC)[C@H](C[NH3+])c1ccc(OC)cc1OC ZINC000111117693 186354424 /nfs/dbraw/zinc/35/44/24/186354424.db2.gz ZODMZVQBIOAQCA-OAHLLOKOSA-N 1 0 296.411 2.062 10 0 CEAERO CCOCCN(CC)[C@H]([C@@H]([NH3+])CC)C(F)(F)F ZINC000111116891 186355196 /nfs/dbraw/zinc/35/51/96/186355196.db2.gz JWVYLQSEPDBXKA-VHSXEESVSA-N 1 0 256.312 2.013 10 0 CEAERO CCOCCN(CC)c1ccc(Cl)c(C[NH3+])n1 ZINC000111123573 186355730 /nfs/dbraw/zinc/35/57/30/186355730.db2.gz HSQQNYMPIZDFMQ-UHFFFAOYSA-N 1 0 257.765 2.057 10 0 CEAERO Cc1ccc([C@@H](O)CN(C)CCC[NH+](C)C)c(C)c1 ZINC000111143948 186358455 /nfs/dbraw/zinc/35/84/55/186358455.db2.gz HLJRLYDLMBERND-INIZCTEOSA-N 1 0 264.413 2.220 10 0 CEAERO C[C@H]([NH3+])[C@H](c1ccco1)N(C)C[C@@H]1CCCOC1 ZINC000111154943 186360323 /nfs/dbraw/zinc/36/03/23/186360323.db2.gz MKILUPZQWPGNAL-SGMGOOAPSA-N 1 0 252.358 2.026 10 0 CEAERO CCCN(CCC[NH3+])C(=O)[C@@H]1CCOc2ccccc21 ZINC000111184167 186366155 /nfs/dbraw/zinc/36/61/55/186366155.db2.gz OXTRGEHKGIXGLI-CQSZACIVSA-N 1 0 276.380 2.140 10 0 CEAERO Cc1ccccc1CN(C)[C@@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111320793 186396706 /nfs/dbraw/zinc/39/67/06/186396706.db2.gz AJENIMAQPIOWKE-CVEARBPZSA-N 1 0 262.397 2.181 10 0 CEAERO Cc1ccc(N(C)[C@H](C[NH3+])[C@@H]2CCCOC2)c(C)c1 ZINC000111321096 186396989 /nfs/dbraw/zinc/39/69/89/186396989.db2.gz VAUSEKRCXCSEBM-GDBMZVCRSA-N 1 0 262.397 2.494 10 0 CEAERO [NH3+]CC[C@H]1CN(C[C@@H]2CCCOC2)c2ccccc21 ZINC000111322141 186397215 /nfs/dbraw/zinc/39/72/15/186397215.db2.gz BMSTZDYNXNLEQU-KBPBESRZSA-N 1 0 260.381 2.366 10 0 CEAERO CN(Cc1cccnc1)C[C@@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111325565 186398069 /nfs/dbraw/zinc/39/80/69/186398069.db2.gz OJKYJTFJPCDFOB-KRWDZBQOSA-N 1 0 289.423 2.062 10 0 CEAERO CCCC1CC[NH+](C[C@@]2(CO)CCCOC2)CC1 ZINC000111331215 186399456 /nfs/dbraw/zinc/39/94/56/186399456.db2.gz HKJJRQXWKQEVFT-OAHLLOKOSA-N 1 0 255.402 2.288 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1c1nc(C2(c3ccccc3)CC2)no1 ZINC000111256769 186379254 /nfs/dbraw/zinc/37/92/54/186379254.db2.gz MBHZRNRSBUQSKD-AAEUAGOBSA-N 1 0 269.348 2.472 10 0 CEAERO Cc1nc(-c2ccc(NC(=O)[C@H]3C[NH2+]C[C@@H]3C)cc2)co1 ZINC000111265771 186381184 /nfs/dbraw/zinc/38/11/84/186381184.db2.gz ONSCVXHDFXDTSI-HZMBPMFUSA-N 1 0 285.347 2.444 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc(OC(F)F)c1 ZINC000111265702 186381432 /nfs/dbraw/zinc/38/14/32/186381432.db2.gz PUIWOWYTEURUGV-KCJUWKMLSA-N 1 0 270.279 2.082 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc2cnccc21 ZINC000111265021 186382021 /nfs/dbraw/zinc/38/20/21/186382021.db2.gz NOZGHXJMAXGLRP-GWCFXTLKSA-N 1 0 255.321 2.029 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000111265249 186382210 /nfs/dbraw/zinc/38/22/10/186382210.db2.gz PODNOTGHALBUDD-JIMOISOXSA-N 1 0 294.395 2.334 10 0 CEAERO C[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1C)c1ccccc1OC(F)F ZINC000111266408 186382335 /nfs/dbraw/zinc/38/23/35/186382335.db2.gz FHCMTHXYJAUJHX-NHCYSSNCSA-N 1 0 298.333 2.321 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N(Cc1ccco1)CC(F)(F)F ZINC000111268142 186382466 /nfs/dbraw/zinc/38/24/66/186382466.db2.gz BXSROEKZRMMYLZ-KOLCDFICSA-N 1 0 290.285 2.026 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)N(C)Cc1cccc(Cl)c1 ZINC000111267985 186382802 /nfs/dbraw/zinc/38/28/02/186382802.db2.gz NENCMRBSRXVKEU-GWCFXTLKSA-N 1 0 266.772 2.154 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc2c(O)cccc12 ZINC000111266541 186382875 /nfs/dbraw/zinc/38/28/75/186382875.db2.gz IWRRBOQVRXPIPH-GXFFZTMASA-N 1 0 270.332 2.339 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N(Cc1ccco1)C1CCCC1 ZINC000111268767 186383943 /nfs/dbraw/zinc/38/39/43/186383943.db2.gz HSHVTXMDVAICQU-DOMZBBRYSA-N 1 0 276.380 2.406 10 0 CEAERO CC(C)c1ccc(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000111272108 186385364 /nfs/dbraw/zinc/38/53/64/186385364.db2.gz YOXALCVQIYESHL-IUODEOHRSA-N 1 0 260.381 2.282 10 0 CEAERO COc1ccc(NC(=O)c2ccc(C[NH3+])cn2)cc1C ZINC000111281859 186387721 /nfs/dbraw/zinc/38/77/21/186387721.db2.gz NPQCVCOIIJWUOI-UHFFFAOYSA-N 1 0 271.320 2.110 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)c2ccc(C[NH3+])cn2)cc1 ZINC000111281876 186387801 /nfs/dbraw/zinc/38/78/01/186387801.db2.gz ZIQOKIXLBNEEIF-LBPRGKRZSA-N 1 0 269.348 2.340 10 0 CEAERO [NH3+]Cc1ccc(C(=O)Nc2ccccc2OC(F)F)nc1 ZINC000111281374 186388953 /nfs/dbraw/zinc/38/89/53/186388953.db2.gz IRIWPRNTOUHFHC-UHFFFAOYSA-N 1 0 293.273 2.394 10 0 CEAERO CCN(C(=O)c1ccc2[nH]ccc2c1)C1CC[NH2+]CC1 ZINC000111288926 186391230 /nfs/dbraw/zinc/39/12/30/186391230.db2.gz BTNKNODWHDNWBJ-UHFFFAOYSA-N 1 0 271.364 2.382 10 0 CEAERO Cc1c(Cl)ncnc1N[C@@H](C)C[NH+]1CCCC1 ZINC000111297503 186392516 /nfs/dbraw/zinc/39/25/16/186392516.db2.gz LNTSWDDZIFOYNH-VIFPVBQESA-N 1 0 254.765 2.335 10 0 CEAERO [NH3+]CCCN(C(=O)c1ccc2c(c1)COC2)C1CCCC1 ZINC000111304881 186393448 /nfs/dbraw/zinc/39/34/48/186393448.db2.gz BQYPKIFVBLWMPI-UHFFFAOYSA-N 1 0 288.391 2.450 10 0 CEAERO CN(C[C@@H]1CCCCO1)c1ccc(CC[NH3+])cc1F ZINC000111483371 186422660 /nfs/dbraw/zinc/42/26/60/186422660.db2.gz ZVQOTYWHJSCBAS-ZDUSSCGKSA-N 1 0 266.360 2.332 10 0 CEAERO CC[C@H]([NH3+])Cc1ccccc1N(C)CCCOC ZINC000111499561 186424648 /nfs/dbraw/zinc/42/46/48/186424648.db2.gz PXNBFOZDMGKFSL-AWEZNQCLSA-N 1 0 250.386 2.439 10 0 CEAERO CC(C)[NH2+]Cc1ccc(Sc2nncn2C)cc1 ZINC000111558336 186428000 /nfs/dbraw/zinc/42/80/00/186428000.db2.gz BOUIXTBQLMOZCZ-UHFFFAOYSA-N 1 0 262.382 2.464 10 0 CEAERO CCC[NH2+]C[C@@H]1CCCCN1CC(=O)NCCC(C)C ZINC000111702062 186447078 /nfs/dbraw/zinc/44/70/78/186447078.db2.gz VVAQTYQZBCGBPO-HNNXBMFYSA-N 1 0 283.460 2.003 10 0 CEAERO CC(C)NC(=O)[C@@H](C)N1CCCC[C@@H]1C[NH2+]C(C)(C)C ZINC000111703880 186448007 /nfs/dbraw/zinc/44/80/07/186448007.db2.gz QJZPTIWUGIPLQE-ZIAGYGMSSA-N 1 0 283.460 2.142 10 0 CEAERO CCC[NH2+][C@H](C)[C@H]1CCCCN1S(=O)(=O)C(C)(C)C ZINC000111715662 186449822 /nfs/dbraw/zinc/44/98/22/186449822.db2.gz UZPKFGNZEGWLRY-CHWSQXEVSA-N 1 0 290.473 2.357 10 0 CEAERO NC(=O)c1ccc(Cl)cc1NC1(C[NH3+])CCCC1 ZINC000111833405 186461627 /nfs/dbraw/zinc/46/16/27/186461627.db2.gz BXPJYHPTJPBNFU-UHFFFAOYSA-N 1 0 267.760 2.122 10 0 CEAERO [NH3+]CCC[C@H]1CCCN1C(=O)c1cc(F)cc(F)c1 ZINC000111370712 186408863 /nfs/dbraw/zinc/40/88/63/186408863.db2.gz MDICRZCJFFRDHU-ZDUSSCGKSA-N 1 0 268.307 2.308 10 0 CEAERO [NH3+]CCc1cccc(-c2nncn2-c2ccccc2)c1 ZINC000111404518 186413670 /nfs/dbraw/zinc/41/36/70/186413670.db2.gz QZJJQEZRVSMJFE-UHFFFAOYSA-N 1 0 264.332 2.436 10 0 CEAERO CC(C)[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccccc1 ZINC000112453351 186498972 /nfs/dbraw/zinc/49/89/72/186498972.db2.gz XCIQZSKPROUCTN-JKSUJKDBSA-N 1 0 262.397 2.304 10 0 CEAERO O[C@H]1COCC[C@H]1[NH2+]Cc1cccc2ccccc21 ZINC000628467098 351107441 /nfs/dbraw/zinc/10/74/41/351107441.db2.gz OIKXYBSPRQPISR-CVEARBPZSA-N 1 0 257.333 2.079 10 0 CEAERO O=C(C1CC[NH+](C2CC2)CC1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000195361790 539811880 /nfs/dbraw/zinc/81/18/80/539811880.db2.gz LDXUIAVNBGDIHB-HZPDHXFCSA-N 1 0 292.423 2.031 10 0 CEAERO C[C@](O)(Cc1cc(F)ccc1F)[C@@H]1CCC[NH2+]C1 ZINC000113162619 186556986 /nfs/dbraw/zinc/55/69/86/186556986.db2.gz VSPFYJKLHUGWGX-RISCZKNCSA-N 1 0 255.308 2.258 10 0 CEAERO COc1cc(C)c(CN2CCCC[C@@H]2C[NH3+])cc1OC ZINC000070141791 363035139 /nfs/dbraw/zinc/03/51/39/363035139.db2.gz PQJLWXFAMHIQTN-CQSZACIVSA-N 1 0 278.396 2.325 10 0 CEAERO O[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000629587780 351423883 /nfs/dbraw/zinc/42/38/83/351423883.db2.gz UEYQGUKSHUDHQF-ARFHVFGLSA-N 1 0 261.365 2.021 10 0 CEAERO Cc1cc(N2C[C@@H](C)[C@@H](C[NH3+])C2)ncc1Br ZINC000630092484 351615682 /nfs/dbraw/zinc/61/56/82/351615682.db2.gz KFPBVWLRBVWGNI-ZJUUUORDSA-N 1 0 284.201 2.184 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]C[C@H](O)C(C)C)c1C ZINC000131328109 366043197 /nfs/dbraw/zinc/04/31/97/366043197.db2.gz CAVNPSBXODLWHO-MFKMUULPSA-N 1 0 253.390 2.187 10 0 CEAERO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2cccnc2)CCS1 ZINC000131345794 366044787 /nfs/dbraw/zinc/04/47/87/366044787.db2.gz KDSTVUQQZKNNTI-LBPRGKRZSA-N 1 0 288.420 2.419 10 0 CEAERO CCCc1noc(-c2ccnc(N3CCC[C@H]([NH3+])C3)c2)n1 ZINC000070458139 363086047 /nfs/dbraw/zinc/08/60/47/363086047.db2.gz VIIFRBCJNXHGKI-LBPRGKRZSA-N 1 0 287.367 2.012 10 0 CEAERO Cc1cc(Br)cc(C(=O)N2CCC[C@H]2C[NH3+])c1 ZINC000131501118 366060278 /nfs/dbraw/zinc/06/02/78/366060278.db2.gz SWADWYRFEHTYSF-LBPRGKRZSA-N 1 0 297.196 2.321 10 0 CEAERO Cc1ccc(-c2cc(N3CCC[C@@H]([NH3+])C3)n[nH]2)cc1 ZINC000070460129 363087175 /nfs/dbraw/zinc/08/71/75/363087175.db2.gz SXTASAXHMXEBOM-CYBMUJFWSA-N 1 0 256.353 2.313 10 0 CEAERO [NH3+][C@H]1CCCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1 ZINC000070460130 363087436 /nfs/dbraw/zinc/08/74/36/363087436.db2.gz JRHMZXNFTMWEKJ-LBPRGKRZSA-N 1 0 260.316 2.143 10 0 CEAERO CCCc1cc(N2CCC[NH2+]CC2)nc(-c2ccncc2)n1 ZINC000070451954 363084081 /nfs/dbraw/zinc/08/40/81/363084081.db2.gz CEMXHZRXXNWELZ-UHFFFAOYSA-N 1 0 297.406 2.291 10 0 CEAERO Cc1nc(NC[C@H]2CCC[NH2+]C2)cc(-c2cccnc2)n1 ZINC000070456384 363084627 /nfs/dbraw/zinc/08/46/27/363084627.db2.gz TVPCRZGAPVLBFP-ZDUSSCGKSA-N 1 0 283.379 2.259 10 0 CEAERO CCc1nc(-c2ccccn2)cc(N2CCC(C[NH3+])CC2)n1 ZINC000070456184 363084778 /nfs/dbraw/zinc/08/47/78/363084778.db2.gz AJCBSNXJJYJQEF-UHFFFAOYSA-N 1 0 297.406 2.276 10 0 CEAERO CO[C@@H]1CN(Cc2cc(C)cc(C)c2)[C@](C)(C[NH3+])C1 ZINC000630364813 351712950 /nfs/dbraw/zinc/71/29/50/351712950.db2.gz WCEBKNFAEVKZPC-HOTGVXAUSA-N 1 0 262.397 2.242 10 0 CEAERO [NH3+]C[C@H]1CC[C@H](Nc2ccncc2Br)CC1 ZINC000630558463 351785469 /nfs/dbraw/zinc/78/54/69/351785469.db2.gz MFAIPFTVALZDDZ-MGCOHNPYSA-N 1 0 284.201 2.195 10 0 CEAERO CCc1cc2c(ncnc2N2C[C@H](C)[C@@H](C[NH3+])C2)s1 ZINC000630569998 351788217 /nfs/dbraw/zinc/78/82/17/351788217.db2.gz LOKWHHGXHWPYOF-UWVGGRQHSA-N 1 0 276.409 2.285 10 0 CEAERO C[C@H]1CN(C(=O)Nc2ccc(Cl)cc2)C[C@@H]1C[NH3+] ZINC000630582143 351792707 /nfs/dbraw/zinc/79/27/07/351792707.db2.gz QWOQOJHUPZEQFW-UWVGGRQHSA-N 1 0 267.760 2.399 10 0 CEAERO [NH3+]C[C@H]1CN(c2ncncc2Cl)CC[C@@H]1C(F)(F)F ZINC000630527231 351773329 /nfs/dbraw/zinc/77/33/29/351773329.db2.gz PPXFTZHEEKXSMY-YUMQZZPRSA-N 1 0 294.708 2.094 10 0 CEAERO [NH3+]C[C@H]1CN(c2ccccn2)CC[C@H]1C(F)(F)F ZINC000630529841 351773592 /nfs/dbraw/zinc/77/35/92/351773592.db2.gz XBULQOPXGYVXCR-VHSXEESVSA-N 1 0 259.275 2.045 10 0 CEAERO Cc1cc(N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)nc(C)n1 ZINC000630530164 351773976 /nfs/dbraw/zinc/77/39/76/351773976.db2.gz ZCRBMVPBBXIHKJ-WDEREUQCSA-N 1 0 288.317 2.057 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)CC1CC1 ZINC000122614709 187041294 /nfs/dbraw/zinc/04/12/94/187041294.db2.gz QNBYWWPHDLLTJI-CYBMUJFWSA-N 1 0 255.406 2.014 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(F)cn1 ZINC000122636230 187042131 /nfs/dbraw/zinc/04/21/31/187042131.db2.gz HMPLBLZOAJFCRV-CHWSQXEVSA-N 1 0 292.358 2.311 10 0 CEAERO CC(=O)Oc1ccc(CN2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000123245423 187080298 /nfs/dbraw/zinc/08/02/98/187080298.db2.gz WCHLOBYCOWRZQA-MRXNPFEDSA-N 1 0 288.391 2.282 10 0 CEAERO CC[C@](C)(O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000123291878 187083005 /nfs/dbraw/zinc/08/30/05/187083005.db2.gz IWVQGIAEKHQQGQ-KRWDZBQOSA-N 1 0 290.407 2.498 10 0 CEAERO COc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CCOCC2)cc1F ZINC000123306337 187083604 /nfs/dbraw/zinc/08/36/04/187083604.db2.gz WCDOTLFSJBAHTJ-QWHCGFSZSA-N 1 0 296.386 2.206 10 0 CEAERO [NH3+][C@H]1CCC[C@@H](C(=O)Nc2ccccc2-n2ccnc2)C1 ZINC000070574541 363097293 /nfs/dbraw/zinc/09/72/93/363097293.db2.gz FPFNCVGQJAVRBD-OLZOCXBDSA-N 1 0 284.363 2.328 10 0 CEAERO C[NH2+][C@@H]1CCCN(C(=O)c2cc(C)c3ccccc3n2)C1 ZINC000133000992 187659822 /nfs/dbraw/zinc/65/98/22/187659822.db2.gz GLSWCKGFQNYAQL-CYBMUJFWSA-N 1 0 283.375 2.367 10 0 CEAERO C[C@@H](NC(=O)C1([NH3+])CCCC1)c1cccc(-n2ccnc2)c1 ZINC000237493464 539852789 /nfs/dbraw/zinc/85/27/89/539852789.db2.gz AJGWMZZZGOQRFT-CYBMUJFWSA-N 1 0 298.390 2.321 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@H]2C[C@@H](OCC(C)C)C2(C)C)C1 ZINC000252737298 539896803 /nfs/dbraw/zinc/89/68/03/539896803.db2.gz BMLBEKRZKISEME-OWCLPIDISA-N 1 0 298.471 2.136 10 0 CEAERO CCOC(=O)c1cccc(NC(=O)CC[C@H]2CC[NH2+]C2)c1 ZINC000134543397 187758396 /nfs/dbraw/zinc/75/83/96/187758396.db2.gz QKNDAHOVMIUASV-LBPRGKRZSA-N 1 0 290.363 2.192 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)C1 ZINC000252761389 539899076 /nfs/dbraw/zinc/89/90/76/539899076.db2.gz XTNRPQPWTJDHHJ-BARDWOONSA-N 1 0 254.418 2.121 10 0 CEAERO COc1cc(C[NH2+][C@H]2CCCCC[C@H]2O)cc(OC)c1 ZINC000135619949 187844559 /nfs/dbraw/zinc/84/45/59/187844559.db2.gz SDCKOUCACIMPDU-JKSUJKDBSA-N 1 0 279.380 2.487 10 0 CEAERO CCC[NH2+][C@H](C)c1ccccc1N1CCN(C)C(=O)C1 ZINC000084204755 535192071 /nfs/dbraw/zinc/19/20/71/535192071.db2.gz VLYYWDOLCSYUOF-CYBMUJFWSA-N 1 0 275.396 2.026 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1Cl ZINC000148794290 187918806 /nfs/dbraw/zinc/91/88/06/187918806.db2.gz UKCXSIMUVYQQTE-CKYFFXLPSA-N 1 0 266.772 2.373 10 0 CEAERO CCCc1nsc(N2CCC[C@H](C)[C@H]2C[NH3+])n1 ZINC000249720619 539962766 /nfs/dbraw/zinc/96/27/66/539962766.db2.gz FKKMYMQOUFYLAQ-VHSXEESVSA-N 1 0 254.403 2.054 10 0 CEAERO CC(C)CCN(C(=O)COC1(C)C[NH2+]C1)C1CCCC1 ZINC000098061073 539960991 /nfs/dbraw/zinc/96/09/91/539960991.db2.gz XRILHLDNRGLPAI-UHFFFAOYSA-N 1 0 282.428 2.182 10 0 CEAERO C[NH+](C)C[C@H](NC(=O)Cc1ccc(O)cc1)c1ccccc1 ZINC000154216977 188130420 /nfs/dbraw/zinc/13/04/20/188130420.db2.gz UODLKSXFCMXHGX-KRWDZBQOSA-N 1 0 298.386 2.354 10 0 CEAERO COc1ccc(CC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000155554235 188213953 /nfs/dbraw/zinc/21/39/53/188213953.db2.gz GQYVRWHCIDXQIQ-BBRMVZONSA-N 1 0 290.407 2.083 10 0 CEAERO CC[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000251879101 539993657 /nfs/dbraw/zinc/99/36/57/539993657.db2.gz VBJPHVJOKOTGKB-ZOBORPQBSA-N 1 0 252.402 2.446 10 0 CEAERO CSCC[C@H]([NH3+])C(=O)NCC1(Cc2ccccc2)CC1 ZINC000157804000 188339242 /nfs/dbraw/zinc/33/92/42/188339242.db2.gz CIVSEHMKDCIPCU-AWEZNQCLSA-N 1 0 292.448 2.206 10 0 CEAERO FC(F)(F)c1ccc(N2CC[C@@]3(CC[NH2+]C3)C2)nc1 ZINC000261605352 282920750 /nfs/dbraw/zinc/92/07/50/282920750.db2.gz RJGOICVLDGYSHY-GFCCVEGCSA-N 1 0 271.286 2.290 10 0 CEAERO Cc1ncccc1C[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000131949697 366103667 /nfs/dbraw/zinc/10/36/67/366103667.db2.gz YBXXSZFUBHKNFC-OAHLLOKOSA-N 1 0 256.353 2.461 10 0 CEAERO C[C@@H]1CC[C@@H](C(=O)Nc2ccc(OCC[NH+](C)C)cc2)O1 ZINC000132981139 366185757 /nfs/dbraw/zinc/18/57/57/366185757.db2.gz IEHWMPSMKRTQAB-DOMZBBRYSA-N 1 0 292.379 2.133 10 0 CEAERO Cc1cc(Cl)ncc1NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000133068606 366192459 /nfs/dbraw/zinc/19/24/59/366192459.db2.gz UYRVKLRJOWUANL-JTQLQIEISA-N 1 0 282.775 2.211 10 0 CEAERO CN1CCO[C@H](C[NH2+][C@H]2CCCCC23CCCC3)C1 ZINC000311697340 283024779 /nfs/dbraw/zinc/02/47/79/283024779.db2.gz LJUKPUXIBYXZQJ-CABCVRRESA-N 1 0 266.429 2.410 10 0 CEAERO Cc1ccc(C(=O)CCC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000170862480 188698557 /nfs/dbraw/zinc/69/85/57/188698557.db2.gz LYMQNXATHKVNFC-HNNXBMFYSA-N 1 0 288.391 2.120 10 0 CEAERO O=C(c1cc2c(s1)CCC2)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171585149 188745368 /nfs/dbraw/zinc/74/53/68/188745368.db2.gz ZWKYXWHSMQGSNF-GFCCVEGCSA-N 1 0 276.405 2.157 10 0 CEAERO COc1nc2ccc(Br)cc2cc1C[NH3+] ZINC000675069251 540108972 /nfs/dbraw/zinc/10/89/72/540108972.db2.gz DHPNVFBDXJRHOB-UHFFFAOYSA-N 1 0 267.126 2.465 10 0 CEAERO CN1CCC([N@H+](C)CCOc2cncc(Cl)c2)CC1 ZINC000675077181 540118618 /nfs/dbraw/zinc/11/86/18/540118618.db2.gz ZQIUTROHDDCSSD-UHFFFAOYSA-N 1 0 283.803 2.140 10 0 CEAERO COc1ccc(CN2C[C@H]([NH2+]C(C)(C)C)CC2=O)cc1 ZINC000675070377 540112736 /nfs/dbraw/zinc/11/27/36/540112736.db2.gz VUOGLVVTPNDBKA-CYBMUJFWSA-N 1 0 276.380 2.184 10 0 CEAERO CCCC(=O)N1[C@H](CC[NH3+])CCC[C@H]1C(F)(F)F ZINC000675073093 540114473 /nfs/dbraw/zinc/11/44/73/540114473.db2.gz LBDXTVKQUSXZOP-UWVGGRQHSA-N 1 0 266.307 2.447 10 0 CEAERO C[C@@H](COCc1ccccc1)NC(=O)C1CC[NH+](C)CC1 ZINC000173367631 188852079 /nfs/dbraw/zinc/85/20/79/188852079.db2.gz HJRQZDJNAYMRAC-AWEZNQCLSA-N 1 0 290.407 2.050 10 0 CEAERO O[C@H]1CCC[C@H](C[N@@H+]2CCC3(C2)CCOCC3)C1 ZINC000380884861 540136550 /nfs/dbraw/zinc/13/65/50/540136550.db2.gz FPRCYUXUYOMIPA-KBPBESRZSA-N 1 0 253.386 2.040 10 0 CEAERO C[NH2+][C@H](C)C(=O)N(C)Cc1csc(Br)c1 ZINC000054076668 540200613 /nfs/dbraw/zinc/20/06/13/540200613.db2.gz JRIQVRRCEGRORT-SSDOTTSWSA-N 1 0 291.214 2.077 10 0 CEAERO CCC1CCC(NC(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000054291504 540206263 /nfs/dbraw/zinc/20/62/63/540206263.db2.gz UMLHGPOCSPVYMQ-ROKHWSDSSA-N 1 0 252.402 2.461 10 0 CEAERO CCOC1(C)CC[NH+](C[C@H]2CCC[C@H](O)C2)CC1 ZINC000385262045 540226982 /nfs/dbraw/zinc/22/69/82/540226982.db2.gz WDWNPSONGXCZPD-KBPBESRZSA-N 1 0 255.402 2.429 10 0 CEAERO CC(C)[C@@H]([NH3+])CCN(C)c1nc2ccccc2n1C ZINC000133649242 366243703 /nfs/dbraw/zinc/24/37/03/366243703.db2.gz RDZGGIGKMPWUDM-LBPRGKRZSA-N 1 0 260.385 2.383 10 0 CEAERO CCCN(CC)CC[NH2+][C@@H]1C[C@@H](OCC)C12CCOCC2 ZINC000248978905 283173344 /nfs/dbraw/zinc/17/33/44/283173344.db2.gz IIRGUVSUXUSJAM-HZPDHXFCSA-N 1 0 298.471 2.282 10 0 CEAERO [NH3+]Cc1c(N2CCOCC2)cccc1C(F)(F)F ZINC000575602327 366298717 /nfs/dbraw/zinc/29/87/17/366298717.db2.gz YYRFIAFMOINSJZ-UHFFFAOYSA-N 1 0 260.259 2.001 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)c2cc(F)c(Cl)cc2F)C1 ZINC000134602176 366346138 /nfs/dbraw/zinc/34/61/38/366346138.db2.gz ACQKFEFNQPSDKJ-QMMMGPOBSA-N 1 0 288.725 2.394 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)c2cccc(F)c2)C1 ZINC000134795899 366361616 /nfs/dbraw/zinc/36/16/16/366361616.db2.gz TWZUDJIIUVKDDN-CQSZACIVSA-N 1 0 278.371 2.266 10 0 CEAERO C[C@@H](NC(=O)[C@@]1(C)CCC[NH2+]1)c1cc(F)ccc1F ZINC000079513009 538890956 /nfs/dbraw/zinc/89/09/56/538890956.db2.gz CFCYQXYZGZWMKD-YMTOWFKASA-N 1 0 268.307 2.284 10 0 CEAERO CCN1CC[C@@H]([NH2+]Cc2ccc3cnccc3c2)C1 ZINC000389314757 540351017 /nfs/dbraw/zinc/35/10/17/540351017.db2.gz GMPWOZIVXYUUER-MRXNPFEDSA-N 1 0 255.365 2.419 10 0 CEAERO Cc1cc(C[NH2+]CC2C[C@H](C)O[C@@H](C)C2)nn1C ZINC000414427875 236360383 /nfs/dbraw/zinc/36/03/83/236360383.db2.gz AFJOACPEZBSGPS-RYUDHWBXSA-N 1 0 251.374 2.022 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@@H](C)Cc2ccccc2F)C1 ZINC000158085641 540378606 /nfs/dbraw/zinc/37/86/06/540378606.db2.gz VQLAQEGEVQSWEH-ZFWWWQNUSA-N 1 0 280.387 2.067 10 0 CEAERO C[NH2+][C@H](C)C(=O)NCc1c(Cl)cccc1Cl ZINC000578205361 366460251 /nfs/dbraw/zinc/46/02/51/366460251.db2.gz OKAHHKRZSXMYES-SSDOTTSWSA-N 1 0 261.152 2.218 10 0 CEAERO O[C@@H]1CCC[C@H](C[N@@H+]2CCOc3ccccc3C2)C1 ZINC000311637848 540457594 /nfs/dbraw/zinc/45/75/94/540457594.db2.gz KHBMJEDYVPMABU-DZGCQCFKSA-N 1 0 261.365 2.432 10 0 CEAERO C[C@H](O)C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[C@H](O)C1 ZINC000310928561 540449033 /nfs/dbraw/zinc/44/90/33/540449033.db2.gz DRSDNXBMKZTIFQ-AJNGGQMLSA-N 1 0 255.402 2.163 10 0 CEAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc(C(C)(C)C)n[nH]1 ZINC000077703068 540553317 /nfs/dbraw/zinc/55/33/17/540553317.db2.gz FOKHMGZMJSJMIF-NSHDSACASA-N 1 0 280.416 2.167 10 0 CEAERO C/C=C(\C)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000685939258 540634957 /nfs/dbraw/zinc/63/49/57/540634957.db2.gz JYTQTTJOIRLDFS-AKPCMERSSA-N 1 0 258.365 2.215 10 0 CEAERO CC(C)N1CC[C@H]([NH3+])[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000685954151 540649377 /nfs/dbraw/zinc/64/93/77/540649377.db2.gz LMAHXKFIGJWOKP-XJKSGUPXSA-N 1 0 297.443 2.198 10 0 CEAERO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1cc(Cl)nc(N)n1 ZINC000146828425 366574243 /nfs/dbraw/zinc/57/42/43/366574243.db2.gz BXWAOBOOZPBLET-RKDXNWHRSA-N 1 0 254.765 2.475 10 0 CEAERO CCOc1ccccc1OCC[NH2+][C@@H]1CCO[C@@H]1C ZINC000149664064 366590645 /nfs/dbraw/zinc/59/06/45/366590645.db2.gz MZEKWLWCUBRQLJ-CHWSQXEVSA-N 1 0 265.353 2.231 10 0 CEAERO C[C@H]1C[N@H+](CCCc2ccccc2)C[C@@H]1N1CCOCC1 ZINC000177222712 189037265 /nfs/dbraw/zinc/03/72/65/189037265.db2.gz XLMNYQQARNIUTH-WMZOPIPTSA-N 1 0 288.435 2.272 10 0 CEAERO C[C@@H]([NH3+])C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000019475018 296014799 /nfs/dbraw/zinc/01/47/99/296014799.db2.gz SOPGEVJJXMXDGC-ZBZBBCKZSA-N 1 0 250.386 2.055 10 0 CEAERO CCC[C@H](C(=O)OCC)[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178331461 189107670 /nfs/dbraw/zinc/10/76/70/189107670.db2.gz UJUDRVBBYNQFRJ-HUUCEWRRSA-N 1 0 293.411 2.388 10 0 CEAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCc1cccnc1 ZINC000178751241 189143028 /nfs/dbraw/zinc/14/30/28/189143028.db2.gz HVWRLGQJBZYIII-MRXNPFEDSA-N 1 0 270.380 2.294 10 0 CEAERO C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000251094151 283585972 /nfs/dbraw/zinc/58/59/72/283585972.db2.gz KYBYEHYLJJITTH-IMJJTQAJSA-N 1 0 290.407 2.126 10 0 CEAERO CSC[C@@H](C)NC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000152020009 366683842 /nfs/dbraw/zinc/68/38/42/366683842.db2.gz CAPQIVSKQSNJQC-TZMCWYRMSA-N 1 0 295.452 2.340 10 0 CEAERO C[N@H+](C[C@H](O)COCc1ccccc1)[C@H]1CCSC1 ZINC000179285918 189183310 /nfs/dbraw/zinc/18/33/10/189183310.db2.gz HFDUUYIWHVFCQU-GJZGRUSLSA-N 1 0 281.421 2.001 10 0 CEAERO CCC[C@@H](C(=O)NCCc1ccc2c(c1)CCO2)[NH+](C)C ZINC000179329358 189186384 /nfs/dbraw/zinc/18/63/84/189186384.db2.gz PTEGFXIBRQJYIC-HNNXBMFYSA-N 1 0 290.407 2.011 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(c3cncc(Br)c3)C[C@@H]12 ZINC000261584590 283597170 /nfs/dbraw/zinc/59/71/70/283597170.db2.gz PZPDQKPQTOJSTF-GGZOMVNGSA-N 1 0 282.185 2.018 10 0 CEAERO CCCOc1ccc([C@H](C)[NH2+][C@@H]2CCNC2=O)cc1 ZINC000676234678 540907673 /nfs/dbraw/zinc/90/76/73/540907673.db2.gz JDWDPYQJRCSVBR-SMDDNHRTSA-N 1 0 262.353 2.015 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)s1 ZINC000051172608 283623453 /nfs/dbraw/zinc/62/34/53/283623453.db2.gz RDTQSVQMUNAMJC-JGVFFNPUSA-N 1 0 258.774 2.401 10 0 CEAERO CCC[N@@H+]1CC[C@H]2c3c(cccc3C(N)=O)CC[C@H]21 ZINC000000005617 361116626 /nfs/dbraw/zinc/11/66/26/361116626.db2.gz JSZBRMZCAIJCKB-TZMCWYRMSA-N 1 0 258.365 2.300 10 0 investigational CEAERO CC/C=C\CC[NH+]1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000342250310 216277940 /nfs/dbraw/zinc/27/79/40/216277940.db2.gz PNYDEKQWWBIINU-CFHLNLSMSA-N 1 0 278.400 2.413 10 0 CEAERO CCCc1cnc(NC(=O)N2CC[C@H]([NH+](C)C)C2)s1 ZINC000180797345 189275902 /nfs/dbraw/zinc/27/59/02/189275902.db2.gz NEPNHKSCRMAABJ-JTQLQIEISA-N 1 0 282.413 2.263 10 0 CEAERO CC[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccccc1F ZINC000180853466 189279686 /nfs/dbraw/zinc/27/96/86/189279686.db2.gz ACOFRWUCMNUTFG-SMDDNHRTSA-N 1 0 274.343 2.473 10 0 CEAERO COCCCCC[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152552473 366703460 /nfs/dbraw/zinc/70/34/60/366703460.db2.gz QZBKIUSUXHRDLW-OAHLLOKOSA-N 1 0 264.369 2.351 10 0 CEAERO C[C@H](CCC(C)(C)C)NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000153834882 366739029 /nfs/dbraw/zinc/73/90/29/366739029.db2.gz GMSPZPDGSSZUQU-KGLIPLIRSA-N 1 0 299.459 2.173 10 0 CEAERO C[NH+](C)[C@H]1CCCCN(c2nccc(C(F)(F)F)n2)C1 ZINC000082121800 363751703 /nfs/dbraw/zinc/75/17/03/363751703.db2.gz LTYVIPSPALHXKS-JTQLQIEISA-N 1 0 288.317 2.416 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cccc(Cl)c2)C1 ZINC000082284877 363758890 /nfs/dbraw/zinc/75/88/90/363758890.db2.gz OZGAKXUOLKDIST-GFCCVEGCSA-N 1 0 252.745 2.116 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccncc1C ZINC000182135206 189315125 /nfs/dbraw/zinc/31/51/25/189315125.db2.gz OHMLTSWYPJCXCT-ZIAGYGMSSA-N 1 0 288.395 2.481 10 0 CEAERO C[NH2+][C@@H]1CCCN(C(=O)CC2CCC(C)CC2)C1 ZINC000261774309 283654948 /nfs/dbraw/zinc/65/49/48/283654948.db2.gz RUMDSRUKEPQQPB-JXQTWKCFSA-N 1 0 252.402 2.413 10 0 CEAERO CC1CC[NH+](Cc2cc(N)cc3c2OCOC3)CC1 ZINC000011568548 361359737 /nfs/dbraw/zinc/35/97/37/361359737.db2.gz GVPMCAFJTVKGMU-UHFFFAOYSA-N 1 0 262.353 2.367 10 0 CEAERO [NH3+][C@@H](Cn1cccn1)c1cccc(Br)c1 ZINC000011848811 361365845 /nfs/dbraw/zinc/36/58/45/361365845.db2.gz RWWNMBNGUKOOPH-NSHDSACASA-N 1 0 266.142 2.346 10 0 CEAERO CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000011849282 361366453 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CC(C)[NH2+]C[C@H](O)COC(=O)c1ccc2ccccc2c1 ZINC000025973963 361633943 /nfs/dbraw/zinc/63/39/43/361633943.db2.gz QPDSYCQHSWVZPU-INIZCTEOSA-N 1 0 287.359 2.356 10 0 CEAERO COCc1nc(C[NH2+]C[C@@H]2CCO[C@H](C)C2)cs1 ZINC000678361955 541121782 /nfs/dbraw/zinc/12/17/82/541121782.db2.gz ORDPPWKXBXZCED-GHMZBOCLSA-N 1 0 270.398 2.194 10 0 CEAERO COC1(OC)C[C@H]2C[N@H+](C)C[C@@]21c1ccc(C)cc1 ZINC000027713760 361657058 /nfs/dbraw/zinc/65/70/58/361657058.db2.gz YJOWIGYADMADGH-LSDHHAIUSA-N 1 0 261.365 2.187 10 0 CEAERO O=C(CCC1CCCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000027932155 361662954 /nfs/dbraw/zinc/66/29/54/361662954.db2.gz HOQDCKRELOFZEP-CQSZACIVSA-N 1 0 250.386 2.263 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]CCc2cccnc2)C12CCOCC2 ZINC000186235364 189433908 /nfs/dbraw/zinc/43/39/08/189433908.db2.gz LVIZARUSVDBKTB-HZPDHXFCSA-N 1 0 290.407 2.188 10 0 CEAERO C[C@@H]([NH3+])CCNC(=O)c1cc2sccc2s1 ZINC000087795046 363869342 /nfs/dbraw/zinc/86/93/42/363869342.db2.gz IGHZBYPTTINMGN-SSDOTTSWSA-N 1 0 254.380 2.430 10 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GGNGKGGSTYCOKM-CVEARBPZSA-N 1 0 296.455 2.382 10 0 CEAERO CCCCCC[C@@H](C)NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117024008 365089010 /nfs/dbraw/zinc/08/90/10/365089010.db2.gz RLRLFSHNHFRUKI-HUUCEWRRSA-N 1 0 299.459 2.317 10 0 CEAERO CC(C)CCC[C@@H](C)NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000117023678 365089126 /nfs/dbraw/zinc/08/91/26/365089126.db2.gz JUHQSMAZNBDVJU-CABCVRRESA-N 1 0 299.459 2.173 10 0 CEAERO CO[C@@H](C)c1nsc(N[C@H](C[NH3+])CC(C)C)n1 ZINC000302386943 201441363 /nfs/dbraw/zinc/44/13/63/201441363.db2.gz FKFYRSZABMQSSI-IUCAKERBSA-N 1 0 258.391 2.031 10 0 CEAERO CCCCCNC(=O)N1CC[N@H+](CCOCC)[C@H](CC)C1 ZINC000117021850 365089557 /nfs/dbraw/zinc/08/95/57/365089557.db2.gz IIURULDSMUAJPR-OAHLLOKOSA-N 1 0 299.459 2.319 10 0 CEAERO COCCCC[N@@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000117881004 365130313 /nfs/dbraw/zinc/13/03/13/365130313.db2.gz WDZQEUAUILKRMD-UHFFFAOYSA-N 1 0 265.401 2.328 10 0 CEAERO Cc1ccc(CC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cn1 ZINC000119435513 365272673 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ZINC000159216734 366889509 /nfs/dbraw/zinc/88/95/09/366889509.db2.gz LYWQAXBRSOWJOT-UHFFFAOYSA-N 1 0 295.390 2.447 10 0 CEAERO Cn1ccnc1CN1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000120959575 365502343 /nfs/dbraw/zinc/50/23/43/365502343.db2.gz IESHSQUBIYWDNJ-SMDDNHRTSA-N 1 0 293.317 2.006 10 0 CEAERO Cc1c(C[NH2+]C(C)(C)CNC(=O)OC(C)(C)C)cnn1C ZINC000161941481 367123287 /nfs/dbraw/zinc/12/32/87/367123287.db2.gz VJBMYODFFMAKOC-UHFFFAOYSA-N 1 0 296.415 2.121 10 0 CEAERO Cc1ccc(C[C@H](C)NC(=O)N2CC[C@@H]([NH+](C)C)C2)s1 ZINC000162122176 367138587 /nfs/dbraw/zinc/13/85/87/367138587.db2.gz WZTHCUGLTQOHNZ-WCQYABFASA-N 1 0 295.452 2.333 10 0 CEAERO CCC[C@H](C(=O)NCCc1c(F)cccc1F)[NH+](C)C ZINC000161655785 367103925 /nfs/dbraw/zinc/10/39/25/367103925.db2.gz ITJWCNZEVBDYBV-CQSZACIVSA-N 1 0 284.350 2.354 10 0 CEAERO C[C@@H](c1nc2ccccc2o1)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000245542994 370836307 /nfs/dbraw/zinc/83/63/07/370836307.db2.gz KOBJSHBKAUKSMY-STQMWFEESA-N 1 0 289.379 2.151 10 0 CEAERO CC(C)(C)n1cc(CN2CC[N@@H+]3CCCC[C@H]3C2)cn1 ZINC000245567839 370840407 /nfs/dbraw/zinc/84/04/07/370840407.db2.gz UXAPSFYVVPGXRC-HNNXBMFYSA-N 1 0 276.428 2.308 10 0 CEAERO C[C@@H]1CN(C(=O)c2cc(F)c(F)cc2Cl)C[C@H]1C[NH3+] ZINC000638886785 370820345 /nfs/dbraw/zinc/82/03/45/370820345.db2.gz SPTLTORHPCBCBN-HTQZYQBOSA-N 1 0 288.725 2.285 10 0 CEAERO C[C@@H]1CN(C(=O)c2cc(F)c(F)cc2Cl)C[C@@H]1C[NH3+] ZINC000638886787 370820487 /nfs/dbraw/zinc/82/04/87/370820487.db2.gz SPTLTORHPCBCBN-SFYZADRCSA-N 1 0 288.725 2.285 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c(C)noc1C ZINC000245444277 370821300 /nfs/dbraw/zinc/82/13/00/370821300.db2.gz XYJJSVDSNOBYFX-KGLIPLIRSA-N 1 0 263.385 2.350 10 0 CEAERO COc1cc(CN2CC[N@@H+]3CCCC[C@H]3C2)cc(OC)c1 ZINC000245563148 370840956 /nfs/dbraw/zinc/84/09/56/370840956.db2.gz PJTALLQGVWMGNK-HNNXBMFYSA-N 1 0 290.407 2.374 10 0 CEAERO Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000638897027 370827480 /nfs/dbraw/zinc/82/74/80/370827480.db2.gz ZZAXJPMRBNXWTE-MNOVXSKESA-N 1 0 266.772 2.315 10 0 CEAERO CC[C@H]1CC[C@H](C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000638898051 370828257 /nfs/dbraw/zinc/82/82/57/370828257.db2.gz HINSATCPDUXFMM-XUXIUFHCSA-N 1 0 252.402 2.256 10 0 CEAERO CCC[C@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)C(C)C ZINC000245655106 370854609 /nfs/dbraw/zinc/85/46/09/370854609.db2.gz FTUACKAKEYWLTR-KBPBESRZSA-N 1 0 252.402 2.365 10 0 CEAERO C[C@@H]1C[C@@H]1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245683057 370857414 /nfs/dbraw/zinc/85/74/14/370857414.db2.gz VSXJJUWDXYDMNV-UNQGMJICSA-N 1 0 273.380 2.139 10 0 CEAERO CC[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccccc1F ZINC000164074654 367276133 /nfs/dbraw/zinc/27/61/33/367276133.db2.gz YWBUKSONFGKZNL-DOMZBBRYSA-N 1 0 266.360 2.197 10 0 CEAERO CC(C)COCCN1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000167612180 367341505 /nfs/dbraw/zinc/34/15/05/367341505.db2.gz DBTWEOKFMJOICM-LSDHHAIUSA-N 1 0 254.418 2.218 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)c2ccc(Cl)cc2)C1 ZINC000170727028 367402193 /nfs/dbraw/zinc/40/21/93/367402193.db2.gz AAMSYTWWBHLSPG-ZDUSSCGKSA-N 1 0 294.782 2.123 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc(OC(F)F)cc2)C1 ZINC000171070985 367471784 /nfs/dbraw/zinc/47/17/84/367471784.db2.gz HTEILSXEFJABJH-LLVKDONJSA-N 1 0 299.321 2.456 10 0 CEAERO CC(C)Oc1cccc(CC(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000170854848 367430629 /nfs/dbraw/zinc/43/06/29/367430629.db2.gz WFWBMXSKSGJNEX-HNNXBMFYSA-N 1 0 290.407 2.179 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000170863687 367433977 /nfs/dbraw/zinc/43/39/77/367433977.db2.gz FSLRZJOPSFUXRM-LBPRGKRZSA-N 1 0 286.297 2.482 10 0 CEAERO C[C@H](CC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000170862205 367434880 /nfs/dbraw/zinc/43/48/80/367434880.db2.gz ZBRLLPMAWRJHIQ-HIFRSBDPSA-N 1 0 260.381 2.343 10 0 CEAERO C[C@H]1C[N@H+](C[C@H](O)COCc2ccccc2F)CCS1 ZINC000170901506 367444183 /nfs/dbraw/zinc/44/41/83/367444183.db2.gz FQFYQITZZUGSRF-JSGCOSHPSA-N 1 0 299.411 2.141 10 0 CEAERO C[C@H]1CN(Cc2nc3ccccc3s2)C[C@@H]1C[NH3+] ZINC000631838274 367579460 /nfs/dbraw/zinc/57/94/60/367579460.db2.gz LJHIRDQQAOKYMX-QWRGUYRKSA-N 1 0 261.394 2.323 10 0 CEAERO Cc1ccc(Cl)cc1NC(=O)CN1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631843015 367585914 /nfs/dbraw/zinc/58/59/14/367585914.db2.gz IKRGJDDLMGGDEL-RYUDHWBXSA-N 1 0 295.814 2.114 10 0 CEAERO Cc1nn(C)c(C)c1CN1CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000171746372 367608231 /nfs/dbraw/zinc/60/82/31/367608231.db2.gz UDJMTQRXBCQVRP-MRXNPFEDSA-N 1 0 288.439 2.263 10 0 CEAERO C[Si](C)(C)C[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000171736269 367606060 /nfs/dbraw/zinc/60/60/60/367606060.db2.gz NTZNLEWXERWRIM-JTQLQIEISA-N 1 0 256.447 2.394 10 0 CEAERO CC(=O)c1ccc(NC(=O)[C@H]2CCC[NH2+][C@H]2C)cc1 ZINC000335532947 212228340 /nfs/dbraw/zinc/22/83/40/212228340.db2.gz HCLPDEBWFPQFAS-HZMBPMFUSA-N 1 0 260.337 2.216 10 0 CEAERO C[C@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)CCS1 ZINC000171694025 367597088 /nfs/dbraw/zinc/59/70/88/367597088.db2.gz RBZUSYMOTCYVKX-GWCFXTLKSA-N 1 0 255.358 2.296 10 0 CEAERO C[C@@H]1CCCC[C@H]1CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171904643 367635391 /nfs/dbraw/zinc/63/53/91/367635391.db2.gz GWTAHVXURCCXEM-QLFBSQMISA-N 1 0 279.428 2.302 10 0 CEAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CCc3cccnc3)C2)n1 ZINC000172163008 367687569 /nfs/dbraw/zinc/68/75/69/367687569.db2.gz QVBOLTKSPOBPNG-QGZVFWFLSA-N 1 0 299.422 2.245 10 0 CEAERO CCCCSCCC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172542529 367772898 /nfs/dbraw/zinc/77/28/98/367772898.db2.gz KXOZPXLXDZRGMN-CYBMUJFWSA-N 1 0 270.442 2.216 10 0 CEAERO CC[C@H]1CN(Cc2cc(F)cc(F)c2)CC[N@@H+]1C[C@H](C)O ZINC000245740536 370867078 /nfs/dbraw/zinc/86/70/78/370867078.db2.gz LQDBOZKDTLVATF-LRDDRELGSA-N 1 0 298.377 2.242 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCSC[C@@H]1C ZINC000172549517 367774504 /nfs/dbraw/zinc/77/45/04/367774504.db2.gz XOVBDQLZAAYYEG-QWHCGFSZSA-N 1 0 287.473 2.110 10 0 CEAERO CCC[C@@H](C)C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000245835204 370877461 /nfs/dbraw/zinc/87/74/61/370877461.db2.gz AYRKAWXDYKTUJD-ZIAGYGMSSA-N 1 0 250.390 2.426 10 0 CEAERO CCc1ccc([C@@H]2CCCC[N@@H+]2C[C@H](O)COC)o1 ZINC000172988222 367855243 /nfs/dbraw/zinc/85/52/43/367855243.db2.gz HMJLLNKQQJOXBU-JSGCOSHPSA-N 1 0 267.369 2.376 10 0 CEAERO CC(C)OC(=O)CC[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000173401032 367907934 /nfs/dbraw/zinc/90/79/34/367907934.db2.gz KKBSORDSIMKRAF-ZDUSSCGKSA-N 1 0 265.357 2.278 10 0 CEAERO CCCc1ncc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000173574419 367925158 /nfs/dbraw/zinc/92/51/58/367925158.db2.gz PBZQYSMAJUKJLE-NSHDSACASA-N 1 0 279.409 2.016 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccncc1Cl ZINC000173758209 367941833 /nfs/dbraw/zinc/94/18/33/367941833.db2.gz IUSYCHVAAJSSGG-DGCLKSJQSA-N 1 0 265.788 2.404 10 0 CEAERO Cn1ccc2ccc(NC(=O)N3CC[C@@H]([NH+](C)C)C3)cc21 ZINC000173905264 367957246 /nfs/dbraw/zinc/95/72/46/367957246.db2.gz VYGPIZZYFSMVGQ-CQSZACIVSA-N 1 0 286.379 2.346 10 0 CEAERO CC[C@H](O)CN1CC[NH+](C[C@H](C)c2ccccc2)CC1 ZINC000174071555 367978484 /nfs/dbraw/zinc/97/84/84/367978484.db2.gz YTTQMQGJFPSCLI-RDJZCZTQSA-N 1 0 276.424 2.179 10 0 CEAERO C[C@H](CCOc1ccccc1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000174288881 368005898 /nfs/dbraw/zinc/00/58/98/368005898.db2.gz PDNALGPPNMPMEL-HUUCEWRRSA-N 1 0 290.407 2.254 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1ccco1 ZINC000175005240 368088908 /nfs/dbraw/zinc/08/89/08/368088908.db2.gz DIUDJTBBCQNCJU-UONOGXRCSA-N 1 0 276.380 2.297 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)/C=C/c1cccnc1 ZINC000175048025 368092305 /nfs/dbraw/zinc/09/23/05/368092305.db2.gz UUNQLHXXOCPKAS-XLBHYRNJSA-N 1 0 285.391 2.180 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cccnc1OC ZINC000176304394 368222016 /nfs/dbraw/zinc/22/20/16/368222016.db2.gz XMGWIOTZTRAQSO-GFCCVEGCSA-N 1 0 292.383 2.038 10 0 CEAERO CC[C@H](C)NC(=O)C[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000176484545 368243964 /nfs/dbraw/zinc/24/39/64/368243964.db2.gz IMONQTWDXRDNNF-NWDGAFQWSA-N 1 0 292.379 2.023 10 0 CEAERO C[C@H]1CN(C(=O)Cc2ccc(Cl)cc2Cl)C[C@H]1[NH3+] ZINC000335483835 212159014 /nfs/dbraw/zinc/15/90/14/212159014.db2.gz SRDYQYDUVJJMBJ-QPUJVOFHSA-N 1 0 287.190 2.342 10 0 CEAERO CC[C@H]([NH2+]C[C@H]1CN(CC)CCO1)c1ccc(OC)cc1 ZINC000163847672 541679411 /nfs/dbraw/zinc/67/94/11/541679411.db2.gz AFBJAVKBWOLDBF-IRXDYDNUSA-N 1 0 292.423 2.457 10 0 CEAERO COCC[C@@](C)(O)C[NH2+]C[C@@H](C)c1ccc(OC)cc1 ZINC000182210677 368534771 /nfs/dbraw/zinc/53/47/71/368534771.db2.gz QXOCUTKTFYPOLE-CZUORRHYSA-N 1 0 281.396 2.176 10 0 CEAERO COCCN1CC[N@H+](C[C@@H]2CCCC[C@@H]2C)C[C@H]1C ZINC000183056315 368607033 /nfs/dbraw/zinc/60/70/33/368607033.db2.gz USJGEXKXWOXZNQ-XHSDSOJGSA-N 1 0 268.445 2.465 10 0 CEAERO CN1CCO[C@H](C[NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000183700820 368642566 /nfs/dbraw/zinc/64/25/66/368642566.db2.gz HWLWZFIRKQRMNW-WXRRBKDZSA-N 1 0 294.361 2.275 10 0 CEAERO CC[C@H](OC1CCCCC1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246040500 370902402 /nfs/dbraw/zinc/90/24/02/370902402.db2.gz RPJKGDKXRPDZQQ-HOCLYGCPSA-N 1 0 294.439 2.421 10 0 CEAERO CCc1cnccc1C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1CC ZINC000184334006 368687774 /nfs/dbraw/zinc/68/77/74/368687774.db2.gz JIZPIZIZOGBRNM-LSDHHAIUSA-N 1 0 287.407 2.343 10 0 CEAERO COC(=O)c1oc([C@H](C)N2CC[N@@H+]3CCC[C@H]3C2)cc1C ZINC000246204973 370927948 /nfs/dbraw/zinc/92/79/48/370927948.db2.gz YDTUNSVURZZAGC-STQMWFEESA-N 1 0 292.379 2.216 10 0 CEAERO C[C@@H](NC(=O)N1CC[N@@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000246123272 370911758 /nfs/dbraw/zinc/91/17/58/370911758.db2.gz IMQLUTGCJSNRCN-HIFRSBDPSA-N 1 0 279.428 2.445 10 0 CEAERO C[C@H](Cc1ccccc1F)NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000246169525 370919998 /nfs/dbraw/zinc/91/99/98/370919998.db2.gz BAHUDLXVVDXLGJ-KGYLQXTDSA-N 1 0 264.344 2.000 10 0 CEAERO Cc1cccc(C)c1OC[C@H](O)C[N@@H+]1CCS[C@@H](C)C1 ZINC000246174672 370921209 /nfs/dbraw/zinc/92/12/09/370921209.db2.gz TWXWHXRWRUQUOD-LSDHHAIUSA-N 1 0 295.448 2.480 10 0 CEAERO CCOc1ccc(CN2CC[N@H+](CCOC)[C@@H](C)C2)cc1 ZINC000246249665 370935809 /nfs/dbraw/zinc/93/58/09/370935809.db2.gz FFXAHVGUCZZQAE-HNNXBMFYSA-N 1 0 292.423 2.238 10 0 CEAERO CC(C)(C)CCCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634757232 368865131 /nfs/dbraw/zinc/86/51/31/368865131.db2.gz NVMSTLUUURSECS-WFASDCNBSA-N 1 0 252.402 2.319 10 0 CEAERO O=C(N1CCC2(CCC2)CC1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634772044 368876257 /nfs/dbraw/zinc/87/62/57/368876257.db2.gz SIYFUCIDTAQXGV-BBRMVZONSA-N 1 0 262.397 2.169 10 0 CEAERO O=C(NCCc1ccc(Cl)s1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634743028 368854034 /nfs/dbraw/zinc/85/40/34/368854034.db2.gz HBMHIUPYYKNCQD-HZMBPMFUSA-N 1 0 298.839 2.450 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(C)no2)C12CCOCC2 ZINC000186321404 368956085 /nfs/dbraw/zinc/95/60/85/368956085.db2.gz OMRXYIKJLJOJDZ-ZIAGYGMSSA-N 1 0 280.368 2.047 10 0 CEAERO Cc1ccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c(C)n1 ZINC000187042807 369090213 /nfs/dbraw/zinc/09/02/13/369090213.db2.gz LKIQETSVYLIYHR-OAHLLOKOSA-N 1 0 285.395 2.202 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)NCc2ccc(Cl)cc2F)C1 ZINC000187865710 369239290 /nfs/dbraw/zinc/23/92/90/369239290.db2.gz AAEBSXCBMNWGGT-GFCCVEGCSA-N 1 0 299.777 2.325 10 0 CEAERO Cc1cc(N2CCC[C@H]([NH2+]CCC(C)(C)C)C2=O)n(C)n1 ZINC000188048706 369284642 /nfs/dbraw/zinc/28/46/42/369284642.db2.gz KVLOOPDFECFOOP-ZDUSSCGKSA-N 1 0 292.427 2.250 10 0 CEAERO OC[C@H]1C[N@H+](CC2CCOCC2)C[C@H]1c1ccsc1 ZINC000188063807 369288466 /nfs/dbraw/zinc/28/84/66/369288466.db2.gz JOYWUFQOWZSNLJ-CABCVRRESA-N 1 0 281.421 2.182 10 0 CEAERO CN1CCO[C@H](C[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000188176732 369312690 /nfs/dbraw/zinc/31/26/90/369312690.db2.gz DPTZTOTXMNZEOQ-KSZLIROESA-N 1 0 288.435 2.417 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H](CNc2nc(C(F)(F)F)ns2)C1 ZINC000227667725 189787054 /nfs/dbraw/zinc/78/70/54/189787054.db2.gz RTFXPTJDKWTNIO-RNFRBKRXSA-N 1 0 280.319 2.486 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc2c1CCCN2 ZINC000246438886 370960159 /nfs/dbraw/zinc/96/01/59/370960159.db2.gz HPEIYVFBRIPNTN-KGLIPLIRSA-N 1 0 299.418 2.353 10 0 CEAERO C[C@@H]1C(=O)NCCC[N@H+]1Cc1cccc(-c2cccnc2)c1 ZINC000189072979 369451789 /nfs/dbraw/zinc/45/17/89/369451789.db2.gz VZPMBIOPDCTXFQ-CQSZACIVSA-N 1 0 295.386 2.459 10 0 CEAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)[C@H](C)CC)CC2 ZINC000246395641 370956606 /nfs/dbraw/zinc/95/66/06/370956606.db2.gz LHVKFMNWUAVKIH-IJLUTSLNSA-N 1 0 250.390 2.180 10 0 CEAERO C[C@@H](C[NH2+]Cc1ccc(Cl)cc1F)N1CCOCC1 ZINC000189242198 369481279 /nfs/dbraw/zinc/48/12/79/369481279.db2.gz KTUKDWWAHDRXKY-NSHDSACASA-N 1 0 286.778 2.289 10 0 CEAERO [NH3+][C@@H]1CCC[C@H](C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000246558778 370977149 /nfs/dbraw/zinc/97/71/49/370977149.db2.gz UHQKHSUPRDVQAE-MYPMTAMASA-N 1 0 276.355 2.315 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC1(C2CC2)CC1 ZINC000246631511 370987550 /nfs/dbraw/zinc/98/75/50/370987550.db2.gz RJOWNBNTGHZOIH-GJZGRUSLSA-N 1 0 291.439 2.445 10 0 CEAERO Fc1cncc(CN2CC[NH2+]CC23CCCCC3)c1 ZINC000231432351 189813074 /nfs/dbraw/zinc/81/30/74/189813074.db2.gz NKTGJHNCAJMMPU-UHFFFAOYSA-N 1 0 263.360 2.329 10 0 CEAERO CCOC(=O)C1CCC(O)(C[N@@H+]2CC[C@H](CC)C2)CC1 ZINC000191444487 369713905 /nfs/dbraw/zinc/71/39/05/369713905.db2.gz IIJYZNQQGYWDIA-HLIUYOAVSA-N 1 0 283.412 2.203 10 0 CEAERO CCCCOC[C@H](O)C[NH2+][C@H](CC)c1nccs1 ZINC000193242603 369910176 /nfs/dbraw/zinc/91/01/76/369910176.db2.gz WXCHKZRKZCIMCI-VXGBXAGGSA-N 1 0 272.414 2.361 10 0 CEAERO CCCCOC[C@@H](O)C[N@H+](C)Cc1ccoc1C ZINC000193248310 369910920 /nfs/dbraw/zinc/91/09/20/369910920.db2.gz FJFAMCXYWWZNFZ-AWEZNQCLSA-N 1 0 255.358 2.197 10 0 CEAERO CSC1(CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000194663540 370063556 /nfs/dbraw/zinc/06/35/56/370063556.db2.gz KRMKBLWEQPYGAC-AWEZNQCLSA-N 1 0 292.448 2.171 10 0 CEAERO O=C(CCC1C[NH2+]C1)N[C@H]1CCCc2ccccc21 ZINC000637873916 370139767 /nfs/dbraw/zinc/13/97/67/370139767.db2.gz HTVYTBGYJWYUIN-HNNXBMFYSA-N 1 0 258.365 2.180 10 0 CEAERO Cc1sc([C@@H]2COCC[NH2+]2)cc1Br ZINC000218134058 370204869 /nfs/dbraw/zinc/20/48/69/370204869.db2.gz WMPWOOOQFDKSPI-QMMMGPOBSA-N 1 0 262.172 2.480 10 0 CEAERO CCCCOC[C@@H](O)C[N@H+](C)Cc1cccc(OC)c1 ZINC000227905882 370389040 /nfs/dbraw/zinc/38/90/40/370389040.db2.gz XIFNGBYGHWJISI-HNNXBMFYSA-N 1 0 281.396 2.305 10 0 CEAERO CN(Cc1ncc(Cl)s1)[C@@H]1CCC[NH2+]CC1 ZINC000231460246 370480856 /nfs/dbraw/zinc/48/08/56/370480856.db2.gz NHRGHXSWHQTULW-SECBINFHSA-N 1 0 259.806 2.370 10 0 CEAERO CN(C(=O)c1ccc(Cl)o1)[C@@H]1CCC[NH2+]CC1 ZINC000231489446 370482021 /nfs/dbraw/zinc/48/20/21/370482021.db2.gz QHZWUNDVSIVBHU-SECBINFHSA-N 1 0 256.733 2.147 10 0 CEAERO Cc1ccc(NC(=O)CN(C)[C@@H]2CCC[NH2+]CC2)cc1C ZINC000231668277 370485989 /nfs/dbraw/zinc/48/59/89/370485989.db2.gz OLNCERVDFJHJGI-MRXNPFEDSA-N 1 0 289.423 2.316 10 0 CEAERO CN(CC(=O)Nc1ccccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000231670423 370486539 /nfs/dbraw/zinc/48/65/39/370486539.db2.gz LXIDMBGKLODWEF-LBPRGKRZSA-N 1 0 295.814 2.352 10 0 CEAERO CCOC(=O)C1CCC(O)(C[N@@H+]2CC[C@H](C)[C@@H](C)C2)CC1 ZINC000233656317 370520765 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CEAERO [NH3+][C@H]1CC[C@H](C(=O)N(CCC(F)(F)F)CC2CC2)C1 ZINC000237937755 189894563 /nfs/dbraw/zinc/89/45/63/189894563.db2.gz DXOCBCOYUTTZDC-QWRGUYRKSA-N 1 0 278.318 2.305 10 0 CEAERO CC1([NH3+])CCN(c2cncc(Br)c2)CC1 ZINC000643029002 372920158 /nfs/dbraw/zinc/92/01/58/372920158.db2.gz FVSXAJPZTCJOAF-UHFFFAOYSA-N 1 0 270.174 2.162 10 0 CEAERO COC[C@]1(C(=O)Nc2ccc(C)c(C)c2)CCC[NH2+]1 ZINC000643614943 373220236 /nfs/dbraw/zinc/22/02/36/373220236.db2.gz RBMWBHJKXHDWMV-HNNXBMFYSA-N 1 0 262.353 2.011 10 0 CEAERO COCCC1(C(=O)Nc2ccccc2)CC[NH2+]CC1 ZINC000643614202 373220287 /nfs/dbraw/zinc/22/02/87/373220287.db2.gz NBOKDKCIWRMXBN-UHFFFAOYSA-N 1 0 262.353 2.031 10 0 CEAERO CC[C@H](NC(=O)[C@@H]1C[NH2+]CCOC1)c1ccc(Cl)cc1 ZINC000643625871 373225404 /nfs/dbraw/zinc/22/54/04/373225404.db2.gz SYKARECRPLIEJP-OCCSQVGLSA-N 1 0 296.798 2.143 10 0 CEAERO Cc1ccc2c(CC(=O)N3CC[C@H]([NH3+])[C@H]3C)coc2c1 ZINC000643589966 373205373 /nfs/dbraw/zinc/20/53/73/373205373.db2.gz CQVNGYQHHWMOII-RISCZKNCSA-N 1 0 272.348 2.232 10 0 CEAERO COCCC1(C(=O)NCCCC(C)(C)C)CC[NH2+]CC1 ZINC000643711601 373241244 /nfs/dbraw/zinc/24/12/44/373241244.db2.gz WVTXFEXXNFNYIL-UHFFFAOYSA-N 1 0 284.444 2.335 10 0 CEAERO CC[C@@]1(C)CCN(C(=O)C2(CCOC)CC[NH2+]CC2)C1 ZINC000643725561 373243030 /nfs/dbraw/zinc/24/30/30/373243030.db2.gz XXWNVRLGJAACPO-HNNXBMFYSA-N 1 0 282.428 2.041 10 0 CEAERO Cc1ccc(CNC(=O)C[C@H]2CCC[NH2+]C2)s1 ZINC000054309051 541887180 /nfs/dbraw/zinc/88/71/80/541887180.db2.gz ZYPQEWYJMBUDOA-LLVKDONJSA-N 1 0 252.383 2.062 10 0 CEAERO CCN(CCC(F)(F)F)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000643985672 373326634 /nfs/dbraw/zinc/32/66/34/373326634.db2.gz JHQOLFIMDKQWAZ-UWVGGRQHSA-N 1 0 266.307 2.305 10 0 CEAERO Cc1cccc(OCC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000247170571 220219566 /nfs/dbraw/zinc/21/95/66/220219566.db2.gz KROAIQUXAXTZMZ-CABCVRRESA-N 1 0 288.391 2.069 10 0 CEAERO CC[C@@H]1CCC[C@@H](NC(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000247165190 220219214 /nfs/dbraw/zinc/21/92/14/220219214.db2.gz KVNFPFKWWGWWSY-MGPQQGTHSA-N 1 0 267.417 2.301 10 0 CEAERO CCc1cc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)nc(C)n1 ZINC000272916984 373710842 /nfs/dbraw/zinc/71/08/42/373710842.db2.gz SMHOXDCVSVCAMN-RISCZKNCSA-N 1 0 260.385 2.020 10 0 CEAERO CC(C)[NH2+]CCC(=O)N1CCC(c2nccs2)CC1 ZINC000645870816 374235855 /nfs/dbraw/zinc/23/58/55/374235855.db2.gz DHAWXAATNAYROU-UHFFFAOYSA-N 1 0 281.425 2.237 10 0 CEAERO CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CN(CC)CCO1 ZINC000165237851 541979111 /nfs/dbraw/zinc/97/91/11/541979111.db2.gz FWJMTONDSIHVHF-DLBZAZTESA-N 1 0 276.424 2.318 10 0 CEAERO c1ccc2c(c1)ccnc2N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000382045956 375183351 /nfs/dbraw/zinc/18/33/51/375183351.db2.gz VODLJHZUDZMAHQ-HIFRSBDPSA-N 1 0 253.349 2.423 10 0 CEAERO C[C@@H]1C[C@H]([NH3+])CN1c1ncc(Br)cc1Cl ZINC000385131547 375227440 /nfs/dbraw/zinc/22/74/40/375227440.db2.gz YJCUFAJWZSPDRY-SVRRBLITSA-N 1 0 290.592 2.423 10 0 CEAERO Cc1scc(CNC(=O)C[C@@H]2CCC[NH2+]C2)c1C ZINC000399810820 375369252 /nfs/dbraw/zinc/36/92/52/375369252.db2.gz HJAJXNNCQSORLT-LBPRGKRZSA-N 1 0 266.410 2.371 10 0 CEAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)c1ccc(F)c(F)c1 ZINC000282500706 375500469 /nfs/dbraw/zinc/50/04/69/375500469.db2.gz WRFVKEBOJVJWFT-RVBZMBCESA-N 1 0 268.307 2.283 10 0 CEAERO C[C@H](C[NH2+]Cc1cc[nH]c1)N(C)C(=O)OC(C)(C)C ZINC000282853487 375595416 /nfs/dbraw/zinc/59/54/16/375595416.db2.gz PRABKSXOHHKMFC-LLVKDONJSA-N 1 0 267.373 2.360 10 0 CEAERO C[C@@H](C[NH2+]Cc1ccccn1)N(C)C(=O)OC(C)(C)C ZINC000282816661 375582544 /nfs/dbraw/zinc/58/25/44/375582544.db2.gz MZHZEABYTNDZAY-LBPRGKRZSA-N 1 0 279.384 2.427 10 0 CEAERO C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)c1ccnn1C ZINC000283167280 375667647 /nfs/dbraw/zinc/66/76/47/375667647.db2.gz IYTSCCUBOFAMHF-NWDGAFQWSA-N 1 0 296.415 2.326 10 0 CEAERO CC(C)(C)OC(=O)N1CCCC2(CC(C[NH3+])C2)C1 ZINC000261508052 190040121 /nfs/dbraw/zinc/04/01/21/190040121.db2.gz PGLFFISCWKFIID-UHFFFAOYSA-N 1 0 254.374 2.372 10 0 CEAERO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262619406 190058947 /nfs/dbraw/zinc/05/89/47/190058947.db2.gz HRPQJFLHAXZRBQ-OHFALNGGSA-N 1 0 284.403 2.451 10 0 CEAERO C[NH2+]Cc1nnc(-c2coc(Br)c2)s1 ZINC000306622112 376551231 /nfs/dbraw/zinc/55/12/31/376551231.db2.gz CMUVAPZSCYIOQT-UHFFFAOYSA-N 1 0 274.143 2.280 10 0 CEAERO [NH3+][C@@H]1CCO[C@@H]1c1ccc(I)cc1 ZINC000307431257 376565484 /nfs/dbraw/zinc/56/54/84/376565484.db2.gz WQUXZGIOJJIDHX-NXEZZACHSA-N 1 0 289.116 2.080 10 0 CEAERO CC[C@H]1CCC[N@H+](Cc2ncccc2C(=O)OC)C1 ZINC000311367254 376667201 /nfs/dbraw/zinc/66/72/01/376667201.db2.gz DHZIFIDOPYZMDH-LBPRGKRZSA-N 1 0 262.353 2.490 10 0 CEAERO OCCN1CCC([NH2+]CCCC2CCCCC2)CC1 ZINC000685423376 542136197 /nfs/dbraw/zinc/13/61/97/542136197.db2.gz MCXKENMRLRZERD-UHFFFAOYSA-N 1 0 268.445 2.393 10 0 CEAERO CC[C@@H]1CN2CCC[C@H]2C[N@@H+]1C[C@@](C)(CC)OC ZINC000322741883 376830249 /nfs/dbraw/zinc/83/02/49/376830249.db2.gz YQILBVPGJJVFEZ-QLFBSQMISA-N 1 0 254.418 2.360 10 0 CEAERO CCN1CC[C@@H]([NH2+][C@H](C)c2cc(OC)ccc2OC)C1 ZINC000328448722 376849907 /nfs/dbraw/zinc/84/99/07/376849907.db2.gz COVSKAMFCOESCS-CHWSQXEVSA-N 1 0 278.396 2.449 10 0 CEAERO CN1CC[C@@H](C[NH2+]Cc2ccco2)[C@@H]1c1cccnc1 ZINC000328640210 376869363 /nfs/dbraw/zinc/86/93/63/376869363.db2.gz PWASFSWKICPAFG-HOCLYGCPSA-N 1 0 271.364 2.457 10 0 CEAERO CC(C)C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Cc1ccccc1 ZINC000616571119 542160976 /nfs/dbraw/zinc/16/09/76/542160976.db2.gz PJPUAIIUHAHASH-CVEARBPZSA-N 1 0 274.408 2.370 10 0 CEAERO C[C@H](C(=O)Nc1cccnc1)[C@@H]([NH3+])c1ccccc1 ZINC000131615635 249316337 /nfs/dbraw/zinc/31/63/37/249316337.db2.gz PYFHDVLPOUIBSM-SMDDNHRTSA-N 1 0 255.321 2.356 10 0 CEAERO C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000237644156 296278854 /nfs/dbraw/zinc/27/88/54/296278854.db2.gz WQSWJKMXUGHIIT-LPWJVIDDSA-N 1 0 252.402 2.445 10 0 CEAERO C[C@H]1CN(CCOc2ccc(Br)cc2)C[C@H]1[NH3+] ZINC000300048385 379151966 /nfs/dbraw/zinc/15/19/66/379151966.db2.gz JKLFJAAFXZZPAZ-GXFFZTMASA-N 1 0 299.212 2.107 10 0 CEAERO Cc1n[nH]cc1[C@H](C)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000181002350 542267687 /nfs/dbraw/zinc/26/76/87/542267687.db2.gz WNCGTTGEPLMXKN-GXTWGEPZSA-N 1 0 264.417 2.489 10 0 CEAERO CC[N@H+](C)[C@@H]1CCN(c2nc(C(C)C)ns2)C1 ZINC000302788509 379452294 /nfs/dbraw/zinc/45/22/94/379452294.db2.gz XLOXZJRMOHRSPS-SNVBAGLBSA-N 1 0 254.403 2.192 10 0 CEAERO O[C@H]1CCCC[C@@H]1N1CC[NH+](CC2CCCCC2)CC1 ZINC000305444955 379717278 /nfs/dbraw/zinc/71/72/78/379717278.db2.gz OTHYPRFQFWMERJ-IRXDYDNUSA-N 1 0 280.456 2.488 10 0 CEAERO CC(C)CO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)N2CCOCC2)C1(C)C ZINC000181437976 542272955 /nfs/dbraw/zinc/27/29/55/542272955.db2.gz YRXMEHKHBUCUNJ-BZUAXINKSA-N 1 0 298.471 2.136 10 0 CEAERO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CC[C@H](C)O1)CC(C)C ZINC000154621144 284822318 /nfs/dbraw/zinc/82/23/18/284822318.db2.gz ZKHQFEWUBBTDNM-SOUVJXGZSA-N 1 0 284.444 2.427 10 0 CEAERO O=C(C[C@@H]1CSCC[NH2+]1)NC1C2CC3CC(C2)CC1C3 ZINC000091135081 295539457 /nfs/dbraw/zinc/53/94/57/295539457.db2.gz XMMVXNFEADHPPW-GMDIISMXSA-N 1 0 294.464 2.022 10 0 CEAERO Cc1cccnc1/C=C\C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000492627637 380634361 /nfs/dbraw/zinc/63/43/61/380634361.db2.gz VIVQIPKEMLKEET-ZPIQOJFGSA-N 1 0 285.391 2.100 10 0 CEAERO Cc1ncsc1/C=C\C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000492710555 380663141 /nfs/dbraw/zinc/66/31/41/380663141.db2.gz DCRRXWBNUBRHOI-ANCZFUFASA-N 1 0 291.420 2.160 10 0 CEAERO C[C@H]([NH2+]CC(=O)N(C1CC1)C1CCCC1)[C@@H]1CCCO1 ZINC000183092149 542286145 /nfs/dbraw/zinc/28/61/45/542286145.db2.gz FPZRDGWCBZHZMZ-WFASDCNBSA-N 1 0 280.412 2.077 10 0 CEAERO O[C@H]1CCCC[C@H]1[NH+]1CCC(OC2CCC2)CC1 ZINC000334942270 207331425 /nfs/dbraw/zinc/33/14/25/207331425.db2.gz BWMLHBDPHPPCOQ-CABCVRRESA-N 1 0 253.386 2.323 10 0 CEAERO [NH3+][C@H]1c2ccccc2CCC[C@@H]1Sc1nc[nH]n1 ZINC000081849824 184597667 /nfs/dbraw/zinc/59/76/67/184597667.db2.gz LCVLUMVZIDBVBD-RYUDHWBXSA-N 1 0 260.366 2.302 10 0 CEAERO C[NH2+][C@H]1CCC2(C[C@@H]1Sc1ccccn1)OCCO2 ZINC000081865533 184598442 /nfs/dbraw/zinc/59/84/42/184598442.db2.gz JIKYUCRWSRMHAR-RYUDHWBXSA-N 1 0 280.393 2.057 10 0 CEAERO CC[NH2+][C@](C)(CO)CN(CC)c1cccc(C)c1 ZINC000085241302 184609118 /nfs/dbraw/zinc/60/91/18/184609118.db2.gz VJWILDPRUPOZQU-HNNXBMFYSA-N 1 0 250.386 2.182 10 0 CEAERO C[C@H](OC1(C[NH3+])CCCCC1)C(=O)N1CCCCCC1 ZINC000086711244 184610367 /nfs/dbraw/zinc/61/03/67/184610367.db2.gz IKXPGDXRTRLZNB-AWEZNQCLSA-N 1 0 282.428 2.456 10 0 CEAERO [NH3+]C[C@]1(OCc2ccn(C3CCCC3)n2)CCCOC1 ZINC000086722397 184610662 /nfs/dbraw/zinc/61/06/62/184610662.db2.gz KSHRTEMHYVJDFS-OAHLLOKOSA-N 1 0 279.384 2.023 10 0 CEAERO CCC[NH2+]Cc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000088921579 184614392 /nfs/dbraw/zinc/61/43/92/184614392.db2.gz RTTCOTVJZKQYCW-UHFFFAOYSA-N 1 0 296.436 2.361 10 0 CEAERO CCN(C1CC1)S(=O)(=O)c1ccccc1C[NH2+]C1CC1 ZINC000088940796 184614506 /nfs/dbraw/zinc/61/45/06/184614506.db2.gz BIGRMGXFSJAOJM-UHFFFAOYSA-N 1 0 294.420 2.112 10 0 CEAERO CCC[C@H](C)N(C)S(=O)(=O)c1csc(C[NH2+]C)c1 ZINC000088964434 184615551 /nfs/dbraw/zinc/61/55/51/184615551.db2.gz UCUYTHMXDCYDDH-JTQLQIEISA-N 1 0 290.454 2.277 10 0 CEAERO CCC[NH+]1CCC(O)([C@@H](C)C(=O)OC(C)(C)C)CC1 ZINC000090816413 184618003 /nfs/dbraw/zinc/61/80/03/184618003.db2.gz JGTGUEMBTKSWJB-LBPRGKRZSA-N 1 0 271.401 2.201 10 0 CEAERO C[C@H](C[C@@](C)(CO)[NH2+]C1CC1)OCC1CCCC1 ZINC000090812543 184618262 /nfs/dbraw/zinc/61/82/62/184618262.db2.gz HANPTVVQMIUFLR-DOMZBBRYSA-N 1 0 255.402 2.475 10 0 CEAERO CCC[NH2+][C@@H]1CCCN(C2C(C)(C)C2(C)C)C1=O ZINC000092818993 184629228 /nfs/dbraw/zinc/62/92/28/184629228.db2.gz SHKWUYRNAKKNPZ-LLVKDONJSA-N 1 0 252.402 2.412 10 0 CEAERO CC1(C)C(CNC(=O)[C@H]2CCCCC[NH2+]2)C1(C)C ZINC000092818117 184629435 /nfs/dbraw/zinc/62/94/35/184629435.db2.gz YMVKVZVHDUIQAX-LLVKDONJSA-N 1 0 252.402 2.317 10 0 CEAERO C[NH2+][C@@H]1c2cc(OC)ccc2CC[C@@H]1SC1COC1 ZINC000092712912 184622453 /nfs/dbraw/zinc/62/24/53/184622453.db2.gz WYNQTDBWYQEFIH-LSDHHAIUSA-N 1 0 279.405 2.403 10 0 CEAERO CCN(C(=O)[C@H]1CC[NH2+][C@@H]1C)c1cccc(F)c1 ZINC000092956378 184637543 /nfs/dbraw/zinc/63/75/43/184637543.db2.gz UAHZELSYGQEDPG-MFKMUULPSA-N 1 0 250.317 2.177 10 0 CEAERO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cc(F)cc(F)c1F ZINC000092956650 184637743 /nfs/dbraw/zinc/63/77/43/184637743.db2.gz MFWACBGKXSKQKE-POYBYMJQSA-N 1 0 258.243 2.040 10 0 CEAERO [NH3+][C@@H]1CC[C@H](Nc2cc3c(cc2Cl)OCO3)C1 ZINC000093206291 184655216 /nfs/dbraw/zinc/65/52/16/184655216.db2.gz YIVUIFCJDMFNMF-SFYZADRCSA-N 1 0 254.717 2.360 10 0 CEAERO [NH3+][C@H]1CCC[C@@H](Nc2cccc(C(=O)NC3CC3)c2)C1 ZINC000093210246 184655568 /nfs/dbraw/zinc/65/55/68/184655568.db2.gz VJNFWYYCEOZWRI-SWLSCSKDSA-N 1 0 273.380 2.261 10 0 CEAERO [NH3+][C@@H]1CC[C@H](Nc2cnc(-c3ccccc3)nc2)C1 ZINC000093206822 184655665 /nfs/dbraw/zinc/65/56/65/184655665.db2.gz KRAPKVJSYWQNKR-OLZOCXBDSA-N 1 0 254.337 2.435 10 0 CEAERO [NH3+][C@H]1CC[C@@H](Nc2cnn(Cc3ccccc3)c2)C1 ZINC000093207776 184655740 /nfs/dbraw/zinc/65/57/40/184655740.db2.gz BWVFNQYKSJLMBF-UONOGXRCSA-N 1 0 256.353 2.223 10 0 CEAERO Cc1cccc([C@H]2C[NH2+]CC[C@]23CCCS(=O)(=O)C3)c1 ZINC000093143302 184651401 /nfs/dbraw/zinc/65/14/01/184651401.db2.gz YRAWDHNLHVTHGV-CVEARBPZSA-N 1 0 293.432 2.267 10 0 CEAERO CC[NH2+]C[C@H](c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000093136536 184651677 /nfs/dbraw/zinc/65/16/77/184651677.db2.gz GMBZDTAMMCPLBX-LSDHHAIUSA-N 1 0 281.421 2.123 10 0 CEAERO CCS(=O)(=O)CC[C@@H](C[NH2+]C1CC1)c1cccc(F)c1 ZINC000093164501 184653050 /nfs/dbraw/zinc/65/30/50/184653050.db2.gz DKRSYMBQWMSJNS-ZDUSSCGKSA-N 1 0 299.411 2.486 10 0 CEAERO Cn1cc(C[NH3+])c(-c2cccc(OC(F)F)c2)n1 ZINC000093296837 184661152 /nfs/dbraw/zinc/66/11/52/184661152.db2.gz YWPUBBMXSDKWBI-UHFFFAOYSA-N 1 0 253.252 2.147 10 0 CEAERO Cc1ccc(C(=O)N(C)C)cc1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000093212360 184656174 /nfs/dbraw/zinc/65/61/74/184656174.db2.gz IRINVNKBMBDODV-KGLIPLIRSA-N 1 0 275.396 2.379 10 0 CEAERO NC(=O)c1ccc(O[C@@H]2CCC[C@@H]([NH3+])C2)c(Cl)c1 ZINC000093219955 184656872 /nfs/dbraw/zinc/65/68/72/184656872.db2.gz LYQKKEUMYRWALJ-NXEZZACHSA-N 1 0 268.744 2.088 10 0 CEAERO O=C(NC[C@@H]1CC[NH2+]C1)c1cc(Cl)c2ccccc2n1 ZINC000335465575 208513398 /nfs/dbraw/zinc/51/33/98/208513398.db2.gz WFUNIDLLABQVHI-SNVBAGLBSA-N 1 0 289.766 2.228 10 0 CEAERO COC(=O)c1ccc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)[nH]1 ZINC000281192333 195143504 /nfs/dbraw/zinc/14/35/04/195143504.db2.gz ILMAOIZBUCITKZ-ZSBIGDGJSA-N 1 0 280.368 2.095 10 0 CEAERO Cc1cc(C)c([C@@H]([NH3+])CN2C(=O)CC(C)CC2=O)c(C)c1 ZINC000093356588 184666488 /nfs/dbraw/zinc/66/64/88/184666488.db2.gz AANUYYBPDDLTPA-AWEZNQCLSA-N 1 0 288.391 2.397 10 0 CEAERO COCCn1cc(N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cn1 ZINC000093489003 184683093 /nfs/dbraw/zinc/68/30/93/184683093.db2.gz DNQGLABNSMYXNJ-HRCADAONSA-N 1 0 292.427 2.252 10 0 CEAERO CCOc1cc([C@@H]2CNC(=[NH2+])N2CC)ccc1OC(F)F ZINC000093357985 184667876 /nfs/dbraw/zinc/66/78/76/184667876.db2.gz LPEIUNRTYMZXTO-JTQLQIEISA-N 1 0 299.321 2.378 10 0 CEAERO NC1=[NH+]C[C@@]2(CCCSC2)N1Cc1cccs1 ZINC000093392657 184670544 /nfs/dbraw/zinc/67/05/44/184670544.db2.gz PQQMFZOTEALWFB-GFCCVEGCSA-N 1 0 267.423 2.144 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](C)c1c(C)n[nH]c1C ZINC000132081492 285271886 /nfs/dbraw/zinc/27/18/86/285271886.db2.gz ZGDJIOGWNQBYKX-FZMZJTMJSA-N 1 0 292.427 2.073 10 0 CEAERO CCC[NH2+][C@@H](CCC)[C@@H](CC)Sc1n[nH]c(=O)n1C ZINC000081880428 177874666 /nfs/dbraw/zinc/87/46/66/177874666.db2.gz QEUBLJDEYLKKQT-WDEREUQCSA-N 1 0 286.445 2.147 10 0 CEAERO CCC[C@@H](CSc1n[nH]c(=O)n1C(C)C)[NH2+]CC ZINC000081879388 177873101 /nfs/dbraw/zinc/87/31/01/177873101.db2.gz ANRVGXCFHILTES-JTQLQIEISA-N 1 0 272.418 2.023 10 0 CEAERO CC[NH2+][C@H](CC)[C@@H](C)Sc1n[nH]c(=O)n1C(C)C ZINC000081879371 177873172 /nfs/dbraw/zinc/87/31/72/177873172.db2.gz AUKCCOGNCAGPQE-NXEZZACHSA-N 1 0 272.418 2.021 10 0 CEAERO CCC[NH2+][C@@H](CC)[C@@H](C)Sc1n[nH]c(=O)n1CCC ZINC000081879328 177872867 /nfs/dbraw/zinc/87/28/67/177872867.db2.gz CUGXRGOFLBLLSS-MNOVXSKESA-N 1 0 286.445 2.240 10 0 CEAERO CC[NH2+][C@@H](CC)[C@H](C)Sc1ncnc2[nH]cnc21 ZINC000081876452 177870805 /nfs/dbraw/zinc/87/08/05/177870805.db2.gz NKCRFTNLRZXNOU-IUCAKERBSA-N 1 0 265.386 2.222 10 0 CEAERO C[NH2+][C@H](C)c1ccc(OC)c(CSCCO)c1 ZINC000081822025 177865377 /nfs/dbraw/zinc/86/53/77/177865377.db2.gz ZIIGGKQRUOJIBZ-SNVBAGLBSA-N 1 0 255.383 2.201 10 0 CEAERO CS(=O)(=O)CCS[C@@H]1CCCc2ccccc2[C@@H]1[NH3+] ZINC000081768505 177855922 /nfs/dbraw/zinc/85/59/22/177855922.db2.gz XCGAWIONHQNBMN-KGLIPLIRSA-N 1 0 299.461 2.169 10 0 CEAERO C[C@@H](C[NH2+]C[C@@H]1CCCO1)Oc1cncc(Cl)c1 ZINC000081703031 177841156 /nfs/dbraw/zinc/84/11/56/177841156.db2.gz NJSIFBGXFDEISJ-JQWIXIFHSA-N 1 0 270.760 2.271 10 0 CEAERO Clc1cncc(OC[C@H]2CC[C@@H](C[NH2+]C3CC3)O2)c1 ZINC000081702107 177841020 /nfs/dbraw/zinc/84/10/20/177841020.db2.gz LFUWXDSIFYSCSV-QWHCGFSZSA-N 1 0 282.771 2.413 10 0 CEAERO [NH3+]C[C@]1(N2CCSCC2)CCC[C@@H](C2CC2)C1 ZINC000081640535 177834764 /nfs/dbraw/zinc/83/47/64/177834764.db2.gz RFOUREQCAPNITL-KGLIPLIRSA-N 1 0 254.443 2.333 10 0 CEAERO CCC[NH2+][C@H]1CCCCC[C@H]1CN1CCn2cnnc2C1 ZINC000081541467 177812629 /nfs/dbraw/zinc/81/26/29/177812629.db2.gz NSGWDAVMFJXJAV-GJZGRUSLSA-N 1 0 291.443 2.042 10 0 CEAERO COCC[NH2+]Cc1cc(F)ccc1N1CC[C@H](COC)C1 ZINC000081072457 177765663 /nfs/dbraw/zinc/76/56/63/177765663.db2.gz JFHWBMKBRQUPSU-ZDUSSCGKSA-N 1 0 296.386 2.034 10 0 CEAERO CC(C)[C@@H](C)C[NH2+]C[C@H](O)c1ccc2c(c1)OCO2 ZINC000081058785 177762922 /nfs/dbraw/zinc/76/29/22/177762922.db2.gz DVKXOEGDUOESBP-AAEUAGOBSA-N 1 0 265.353 2.330 10 0 CEAERO O=C([C@@H]1CCCCC[NH2+]1)N(Cc1ccccn1)C1CC1 ZINC000080995933 177751185 /nfs/dbraw/zinc/75/11/85/177751185.db2.gz BIOYCBSNSQGMPT-HNNXBMFYSA-N 1 0 273.380 2.105 10 0 CEAERO [NH3+]C1(COc2ncnc3c2CCC3)CCCCCC1 ZINC000080902648 177725710 /nfs/dbraw/zinc/72/57/10/177725710.db2.gz KSBJDHIJXSGZEN-UHFFFAOYSA-N 1 0 261.369 2.396 10 0 CEAERO Cc1cc(C)c(C(N)=O)c(OCC2([NH3+])CCCCCC2)n1 ZINC000080901818 177725177 /nfs/dbraw/zinc/72/51/77/177725177.db2.gz KLDSOPDZLXZSHO-UHFFFAOYSA-N 1 0 291.395 2.228 10 0 CEAERO C[C@@H]1CCC(=O)N(C[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000080784684 177706600 /nfs/dbraw/zinc/70/66/00/177706600.db2.gz LISWYMMQFJUUEK-UKRRQHHQSA-N 1 0 260.381 2.378 10 0 CEAERO CCO[C@H](C)[C@@H](Cc1ccc(OC)c(F)c1)[NH2+]C ZINC000080743346 177697645 /nfs/dbraw/zinc/69/76/45/177697645.db2.gz OFUGJSQSAKADGZ-ZWNOBZJWSA-N 1 0 255.333 2.390 10 0 CEAERO Cc1csc([C@H](C)NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000080272078 177635412 /nfs/dbraw/zinc/63/54/12/177635412.db2.gz ZCSAWYFGBSRSFI-AXFHLTTASA-N 1 0 267.398 2.146 10 0 CEAERO C[NH2+][C@]1(CO)CCC[C@H]1CCn1ccc(C(F)(F)F)n1 ZINC000093618971 184696923 /nfs/dbraw/zinc/69/69/23/184696923.db2.gz MLWBYMXRYYUIQV-JQWIXIFHSA-N 1 0 291.317 2.043 10 0 CEAERO C[NH2+][C@H]1CCC[C@@H]1CCS(=O)(=O)c1ccccc1F ZINC000093622952 184697874 /nfs/dbraw/zinc/69/78/74/184697874.db2.gz JCMZGYPTBMAJMV-YPMHNXCESA-N 1 0 285.384 2.378 10 0 CEAERO C[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCOc1ccccc1C ZINC000093624916 184698017 /nfs/dbraw/zinc/69/80/17/184698017.db2.gz NATDRYWIAQXWHM-CZUORRHYSA-N 1 0 276.380 2.008 10 0 CEAERO C[NH2+][C@]1(C(N)=O)CCC[C@H]1CCSC(C)(C)C ZINC000093628029 184698845 /nfs/dbraw/zinc/69/88/45/184698845.db2.gz CHPBZIKNEBASGI-GXFFZTMASA-N 1 0 258.431 2.152 10 0 CEAERO C[NH2+]C[C@@H](C)Cc1c(C)nc([C@H](C)OC)nc1C ZINC000093693020 184707548 /nfs/dbraw/zinc/70/75/48/184707548.db2.gz IHUJZNHVHYYXEQ-CABZTGNLSA-N 1 0 251.374 2.199 10 0 CEAERO CCC[NH2+][C@@]1(CO)CCC[C@H](OCC2CCOCC2)C1 ZINC000093784510 184722026 /nfs/dbraw/zinc/72/20/26/184722026.db2.gz ARLPAZIAGKGVIA-HOTGVXAUSA-N 1 0 285.428 2.103 10 0 CEAERO [NH3+][C@@]1(CO)CCC[C@@H](Sc2ncccc2Cl)C1 ZINC000093787383 184722745 /nfs/dbraw/zinc/72/27/45/184722745.db2.gz MLPCEXKNQMMYNX-SKDRFNHKSA-N 1 0 272.801 2.460 10 0 CEAERO CCC[NH2+][C@@H](CC1CC1)[C@@H]1CN(C(C)C)CCO1 ZINC000093928474 184744538 /nfs/dbraw/zinc/74/45/38/184744538.db2.gz MDQFXBYCCNUARG-GJZGRUSLSA-N 1 0 254.418 2.264 10 0 CEAERO CC(C)COc1nc(OCC(C)(C)[NH+](C)C)ccc1N ZINC000093954954 184745619 /nfs/dbraw/zinc/74/56/19/184745619.db2.gz RCIMLGHIVNPZMN-UHFFFAOYSA-N 1 0 281.400 2.418 10 0 CEAERO CC(=O)N(C)Cc1ccccc1NCC1CC[NH2+]CC1 ZINC000094009860 184749688 /nfs/dbraw/zinc/74/96/88/184749688.db2.gz JDOZXAFUZOQHHQ-UHFFFAOYSA-N 1 0 275.396 2.076 10 0 CEAERO CC1CCN(C(=O)NC2C(C)(C)C([NH3+])C2(C)C)CC1 ZINC000094006443 184749823 /nfs/dbraw/zinc/74/98/23/184749823.db2.gz FDMRHLQQONWUFC-UHFFFAOYSA-N 1 0 267.417 2.190 10 0 CEAERO CN(CC1CC[NH2+]CC1)C(=O)c1cc2c(s1)CCC2 ZINC000094022166 184750482 /nfs/dbraw/zinc/75/04/82/184750482.db2.gz BVMORNPSNBMHDJ-UHFFFAOYSA-N 1 0 278.421 2.308 10 0 CEAERO Cc1cc(C)nc(N(CC2CC[NH2+]CC2)C(C)C)n1 ZINC000094044377 184752509 /nfs/dbraw/zinc/75/25/09/184752509.db2.gz LTLDOJDXOYNRLQ-UHFFFAOYSA-N 1 0 262.401 2.308 10 0 CEAERO CCc1ccc(C[C@@H](O)C2([NH+](C)C)CCCC2)nc1 ZINC000094115216 184755670 /nfs/dbraw/zinc/75/56/70/184755670.db2.gz BKMOPMFRMKNRAF-OAHLLOKOSA-N 1 0 262.397 2.422 10 0 CEAERO CC[NH2+][C@@H](Cc1csc(C)n1)Cc1nccn1CC ZINC000094159605 184757099 /nfs/dbraw/zinc/75/70/99/184757099.db2.gz KKCZJVPSXKYZMJ-LBPRGKRZSA-N 1 0 278.425 2.431 10 0 CEAERO CC[NH2+][C@@H](COCC)Cc1nc2ccccc2n1C ZINC000094171796 184759063 /nfs/dbraw/zinc/75/90/63/184759063.db2.gz CHWFGDHMUUODTF-GFCCVEGCSA-N 1 0 261.369 2.130 10 0 CEAERO Cc1noc(C)c1COc1ccc(C[C@H](C)[NH3+])nc1 ZINC000094215449 184763799 /nfs/dbraw/zinc/76/37/99/184763799.db2.gz OARMYUZZJGHPBN-VIFPVBQESA-N 1 0 261.325 2.155 10 0 CEAERO CCN(C(=O)c1cscc1C)C1CC[NH2+]CC1 ZINC000094248268 184769657 /nfs/dbraw/zinc/76/96/57/184769657.db2.gz FYLHCDHPAHQVHN-UHFFFAOYSA-N 1 0 252.383 2.271 10 0 CEAERO [NH3+]CCc1cc(F)c(OCc2ccccn2)c(F)c1 ZINC000094349818 184786984 /nfs/dbraw/zinc/78/69/84/184786984.db2.gz UIFRIMXIVDDPHC-UHFFFAOYSA-N 1 0 264.275 2.440 10 0 CEAERO Cc1csc(C[C@@H]([NH3+])[C@H]2CCOC3(CCOCC3)C2)n1 ZINC000094402176 184793446 /nfs/dbraw/zinc/79/34/46/184793446.db2.gz ADTKNTYFSJDRHE-QWHCGFSZSA-N 1 0 296.436 2.297 10 0 CEAERO CC[NH2+][C@H](C(OC)OC)[C@H]1CCOC2(CCCC2)C1 ZINC000094407915 184793912 /nfs/dbraw/zinc/79/39/12/184793912.db2.gz CXXUODCJXXSCKP-STQMWFEESA-N 1 0 271.401 2.323 10 0 CEAERO CC(C)C[NH2+]C[C@H](O)[C@H]1CCOC2(CCSCC2)C1 ZINC000094418552 184794906 /nfs/dbraw/zinc/79/49/06/184794906.db2.gz VROKGUXVDKBNLN-KBPBESRZSA-N 1 0 287.469 2.285 10 0 CEAERO CC[NH2+]C[C@](C)(O)[C@H]1CCOC2(CCCCC2)C1 ZINC000094418816 184794943 /nfs/dbraw/zinc/79/49/43/184794943.db2.gz QCRZSNXUQBJGIL-KBPBESRZSA-N 1 0 255.402 2.476 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@H]1CNc1ccc2nccnc2n1 ZINC000094727603 184848334 /nfs/dbraw/zinc/84/83/34/184848334.db2.gz OEERBWFDZAHPME-NEPJUHHUSA-N 1 0 271.368 2.202 10 0 CEAERO CC[C@H]([NH3+])Cc1cnc(-c2ccc(Cl)cn2)nc1 ZINC000094845286 184879257 /nfs/dbraw/zinc/87/92/57/184879257.db2.gz CHEMCPDTSCZBRN-NSHDSACASA-N 1 0 262.744 2.472 10 0 CEAERO COc1ccc(C[C@@H]([NH3+])[C@@]2(C)CCCO2)cc1F ZINC000094782553 184862757 /nfs/dbraw/zinc/86/27/57/184862757.db2.gz QZWIZFWNKXIQLP-ZIAGYGMSSA-N 1 0 253.317 2.273 10 0 CEAERO CCC[C@H](CC[NH3+])CCC(=O)NC[C@]1(C)CCCO1 ZINC000094802550 184867826 /nfs/dbraw/zinc/86/78/26/184867826.db2.gz TYQJGQGLZBLFSH-ZFWWWQNUSA-N 1 0 270.417 2.217 10 0 CEAERO C[C@@]1(C[NH2+]CCCOCC(F)(F)F)CCCO1 ZINC000094801297 184868626 /nfs/dbraw/zinc/86/86/26/184868626.db2.gz VXIBBPNUGCRKPC-JTQLQIEISA-N 1 0 255.280 2.114 10 0 CEAERO C[NH2+][C@H](CCN1CCOCC1)c1ccc(C)c(F)c1 ZINC000094839994 184877894 /nfs/dbraw/zinc/87/78/94/184877894.db2.gz QXBIBBJGBMRIHS-OAHLLOKOSA-N 1 0 266.360 2.117 10 0 CEAERO Fc1ccccc1NCCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094467526 184806062 /nfs/dbraw/zinc/80/60/62/184806062.db2.gz MDUJPSFQPDIIFD-CYBMUJFWSA-N 1 0 263.360 2.018 10 0 CEAERO C[C@H]1SCCC[C@H]1[NH2+]CCc1nnc2ccccn21 ZINC000094475700 184808038 /nfs/dbraw/zinc/80/80/38/184808038.db2.gz GOKYFRLNRPKQCK-VXGBXAGGSA-N 1 0 276.409 2.146 10 0 CEAERO CC1(C)CCSC[C@H]1[NH2+][C@H]1CCN(C2CC2)C1 ZINC000094483556 184808926 /nfs/dbraw/zinc/80/89/26/184808926.db2.gz OBBQGKCUJUGXNY-WCQYABFASA-N 1 0 254.443 2.344 10 0 CEAERO CC(C)(C[NH2+][C@H]1CSCC(C)(C)C1)N1CCOCC1 ZINC000094486549 184809130 /nfs/dbraw/zinc/80/91/30/184809130.db2.gz HNPOTBAWYXFCHP-CYBMUJFWSA-N 1 0 286.485 2.219 10 0 CEAERO CC[NH2+][C@H](C)Cc1nc(CCC(F)(F)F)no1 ZINC000094492252 184810048 /nfs/dbraw/zinc/81/00/48/184810048.db2.gz KHGVQWXOPGSPSA-SSDOTTSWSA-N 1 0 251.252 2.105 10 0 CEAERO CCC[C@@H](C[NH3+])c1nc(CCC(F)(F)F)no1 ZINC000094492028 184810204 /nfs/dbraw/zinc/81/02/04/184810204.db2.gz RSQWEXTTZCKXRD-ZETCQYMHSA-N 1 0 251.252 2.407 10 0 CEAERO C[NH2+][C@H]1CCC[C@@H]1c1nc(CCC(F)(F)F)no1 ZINC000094494240 184810210 /nfs/dbraw/zinc/81/02/10/184810210.db2.gz CYSITZJWLODFOG-YUMQZZPRSA-N 1 0 263.263 2.420 10 0 CEAERO CC[NH2+][C@H](Cc1ccncc1)[C@@H]1CSCCS1 ZINC000094498232 184810809 /nfs/dbraw/zinc/81/08/09/184810809.db2.gz BKAOYKJZAZYWRT-OLZOCXBDSA-N 1 0 268.451 2.451 10 0 CEAERO Cc1nc([C@@H]2CSCCO2)nc(C)c1CC[NH2+]C(C)C ZINC000094505467 184811918 /nfs/dbraw/zinc/81/19/18/184811918.db2.gz LLXTVIPSLNHHMG-AWEZNQCLSA-N 1 0 295.452 2.438 10 0 CEAERO C[C@H]1C[C@H]([NH3+])CN(C(=O)Cc2c(F)cccc2Cl)C1 ZINC000094549423 184815601 /nfs/dbraw/zinc/81/56/01/184815601.db2.gz MSEVERZUPZCSIA-UWVGGRQHSA-N 1 0 284.762 2.217 10 0 CEAERO C[C@@H]1C[C@H]([NH3+])CN(C(=O)CCCc2ccccc2)C1 ZINC000094549850 184816430 /nfs/dbraw/zinc/81/64/30/184816430.db2.gz QSDWORPKYXVXHW-HIFRSBDPSA-N 1 0 260.381 2.205 10 0 CEAERO C[C@H]1C[C@H]([NH3+])CN(CC(=O)Nc2ccc(F)cc2Cl)C1 ZINC000094552112 184817173 /nfs/dbraw/zinc/81/71/73/184817173.db2.gz YMQKPLHDGXPCFW-ONGXEEELSA-N 1 0 299.777 2.087 10 0 CEAERO Cc1cc(C)cc(Cc2noc([C@@H]3CC[C@H](C[NH3+])O3)n2)c1 ZINC000094560991 184818402 /nfs/dbraw/zinc/81/84/02/184818402.db2.gz WGVOJEMVRLBVQG-KGLIPLIRSA-N 1 0 287.363 2.456 10 0 CEAERO C[C@H](O)c1ccccc1NC(=O)c1ccc(C[NH3+])o1 ZINC000094570756 184820294 /nfs/dbraw/zinc/82/02/94/184820294.db2.gz AMCKFHDYJYOUFB-VIFPVBQESA-N 1 0 260.293 2.044 10 0 CEAERO NC(=O)[C@@]1([NH3+])CCC[C@H](Sc2cc3ccccc3[nH]2)C1 ZINC000094630028 184829185 /nfs/dbraw/zinc/82/91/85/184829185.db2.gz GRPBAQBWGGIZIL-XHDPSFHLSA-N 1 0 289.404 2.385 10 0 CEAERO C[NH2+]Cc1ccc(O[C@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000094634437 184830802 /nfs/dbraw/zinc/83/08/02/184830802.db2.gz WZGXEUVZIDVNLN-LSDHHAIUSA-N 1 0 297.420 2.141 10 0 CEAERO CC[NH2+]Cc1cccc(OCC)c1O[C@H](C)[C@@H](C)O ZINC000094652804 184834873 /nfs/dbraw/zinc/83/48/73/184834873.db2.gz HSTHMOPHAYCYNT-VXGBXAGGSA-N 1 0 267.369 2.343 10 0 CEAERO COc1ccc([C@@H]2C[NH2+][C@@H](C)[C@@H](C)O2)c(OC)c1 ZINC000094656985 184836324 /nfs/dbraw/zinc/83/63/24/184836324.db2.gz RVAGQWWEQBBVHE-RBZYPMLTSA-N 1 0 251.326 2.142 10 0 CEAERO Oc1cccc(CN2C[C@@H](C3CC3)[NH2+]C[C@@H]2C2CC2)c1 ZINC000094690385 184839208 /nfs/dbraw/zinc/83/92/08/184839208.db2.gz XDTNCDNFGGGEFR-DLBZAZTESA-N 1 0 272.392 2.355 10 0 CEAERO CC(C)C[C@H](C[NH3+])C(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000094699869 184842472 /nfs/dbraw/zinc/84/24/72/184842472.db2.gz KXBITAANHNVMKL-RBSFLKMASA-N 1 0 260.381 2.280 10 0 CEAERO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1[NH2+]C1COC1 ZINC000094710219 184845105 /nfs/dbraw/zinc/84/51/05/184845105.db2.gz ADQGQDNRMMFPNV-DGCLKSJQSA-N 1 0 284.400 2.058 10 0 CEAERO CC[C@H](CC[NH3+])S(=O)(=O)Cc1cc(C)cc(C)c1 ZINC000094721244 184846833 /nfs/dbraw/zinc/84/68/33/184846833.db2.gz WJDWZPAEDJBRCQ-CQSZACIVSA-N 1 0 269.410 2.346 10 0 CEAERO CC[NH+](CC)C(C)(C)[C@H](N)Cc1nc(C)cs1 ZINC000094974075 184909219 /nfs/dbraw/zinc/90/92/19/184909219.db2.gz MVFUHDCOMKCXHU-LLVKDONJSA-N 1 0 255.431 2.442 10 0 CEAERO CCOc1ccc(NC(=O)[C@@H](C[NH3+])CC(C)C)cn1 ZINC000094988980 184911099 /nfs/dbraw/zinc/91/10/99/184911099.db2.gz BYSJOLWFPCZLHK-LLVKDONJSA-N 1 0 265.357 2.040 10 0 CEAERO CCOCCCc1cnc(CC[NH2+]CC(C)C)o1 ZINC000095038367 184922454 /nfs/dbraw/zinc/92/24/54/184922454.db2.gz DBZMOPVDXFHOCY-UHFFFAOYSA-N 1 0 254.374 2.432 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)NCc1sccc1CC ZINC000094877144 184886681 /nfs/dbraw/zinc/88/66/81/184886681.db2.gz XUWUOLJACFPMSD-JTQLQIEISA-N 1 0 254.399 2.315 10 0 CEAERO C[C@H]1CCC[C@@](C[NH3+])(N(C)C(=O)NC2CCCC2)C1 ZINC000094890240 184888505 /nfs/dbraw/zinc/88/85/05/184888505.db2.gz GYBCGMMWNQZAMP-SWLSCSKDSA-N 1 0 267.417 2.478 10 0 CEAERO CCN(C(=O)c1ccc(C)cc1F)[C@@H]1CCC[NH2+]C1 ZINC000094914147 184892133 /nfs/dbraw/zinc/89/21/33/184892133.db2.gz PGSMOEMXXGNNON-GFCCVEGCSA-N 1 0 264.344 2.348 10 0 CEAERO CCOc1cccc([C@](O)([C@@H](C)[NH3+])C(F)(F)F)c1 ZINC000094934351 184896221 /nfs/dbraw/zinc/89/62/21/184896221.db2.gz HCQZNNQOFGDOLV-LDYMZIIASA-N 1 0 263.259 2.182 10 0 CEAERO CNc1cc(C)ccc1C(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000094929232 184896627 /nfs/dbraw/zinc/89/66/27/184896627.db2.gz QMIXNFRPESDWAD-ZDUSSCGKSA-N 1 0 275.396 2.060 10 0 CEAERO CC(C)[C@H](CC[NH3+])CCc1nc(-c2ncc[nH]2)no1 ZINC000094937306 184897559 /nfs/dbraw/zinc/89/75/59/184897559.db2.gz TWQXVQAAISQYNO-JTQLQIEISA-N 1 0 263.345 2.013 10 0 CEAERO Cc1cc(F)ccc1CCNC(=O)[C@@H]1C[NH2+]C[C@H](C)C1 ZINC000094961754 184906072 /nfs/dbraw/zinc/90/60/72/184906072.db2.gz FFHDFUMMQGNCLD-RISCZKNCSA-N 1 0 278.371 2.038 10 0 CEAERO CC[C@@H](CC[NH3+])CNC(=O)c1cc(C)ccc1F ZINC000094961833 184906113 /nfs/dbraw/zinc/90/61/13/184906113.db2.gz FLXXGTLVIIAZPM-NSHDSACASA-N 1 0 252.333 2.239 10 0 CEAERO COCC[NH2+]C[C@H]1CCCCN1Cc1nc(C)c(C)s1 ZINC000094967508 184906957 /nfs/dbraw/zinc/90/69/57/184906957.db2.gz PSVCZAAIYASWKR-CQSZACIVSA-N 1 0 297.468 2.350 10 0 CEAERO C[C@@H](Nc1ccc(N2CCCCC2)nc1)[C@H]1CC[NH2+]C1 ZINC000400359867 533554771 /nfs/dbraw/zinc/55/47/71/533554771.db2.gz CRHPZHKVFDCHFK-KGLIPLIRSA-N 1 0 274.412 2.482 10 0 CEAERO CCCc1cc(N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ncn1 ZINC000040765803 134870934 /nfs/dbraw/zinc/87/09/34/134870934.db2.gz KORJLLBIAXRPDL-HIFRSBDPSA-N 1 0 274.412 2.398 10 0 CEAERO C[C@H]1CN(c2ccc(Br)c(F)c2)CC[NH2+]1 ZINC000083536287 135027264 /nfs/dbraw/zinc/02/72/64/135027264.db2.gz WNVVXBCPBAXESY-QMMMGPOBSA-N 1 0 273.149 2.386 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)N1CCCc2ccccc21 ZINC000085357103 135036492 /nfs/dbraw/zinc/03/64/92/135036492.db2.gz OZKWFFKOKQIOMK-KBPBESRZSA-N 1 0 258.365 2.483 10 0 CEAERO c1cc2cnccc2c(N2CC[NH2+][C@@H](C3CC3)C2)c1 ZINC000086128326 135039336 /nfs/dbraw/zinc/03/93/36/135039336.db2.gz OUJRHGCFKHYMFD-OAHLLOKOSA-N 1 0 253.349 2.423 10 0 CEAERO Cc1cc(Br)cnc1N1CC[NH2+]CC1(C)C ZINC000086708641 135048337 /nfs/dbraw/zinc/04/83/37/135048337.db2.gz PDFCTOYIMWMAKB-UHFFFAOYSA-N 1 0 284.201 2.341 10 0 CEAERO [NH3+][C@H]1CCN(C(=O)CC[C@@H]2CCCO2)c2ccccc21 ZINC000087203552 135049094 /nfs/dbraw/zinc/04/90/94/135049094.db2.gz JLPLWRLAZFXJRA-JSGCOSHPSA-N 1 0 274.364 2.382 10 0 CEAERO CN1c2ccc([C@H]([NH3+])C[C@@H]3CCCO3)cc2CCC1=O ZINC000087215152 135049107 /nfs/dbraw/zinc/04/91/07/135049107.db2.gz XZDVWLAFYRWQFK-UONOGXRCSA-N 1 0 274.364 2.165 10 0 CEAERO CCC[C@H](C[NH3+])CN1CCN(c2ccccc2OC)CC1 ZINC000087535277 135051017 /nfs/dbraw/zinc/05/10/17/135051017.db2.gz ATTMHQHTUROFAS-OAHLLOKOSA-N 1 0 291.439 2.192 10 0 CEAERO NC(=[NH2+])c1ccnc(N2CCC(C(F)(F)F)CC2)c1 ZINC000088421448 135054715 /nfs/dbraw/zinc/05/47/15/135054715.db2.gz YNPWQWRPFKQWAD-UHFFFAOYSA-N 1 0 272.274 2.144 10 0 CEAERO CC(C)Cn1ncnc1CN1CC[C@@H]([NH3+])c2ccccc21 ZINC000088584870 135055303 /nfs/dbraw/zinc/05/53/03/135055303.db2.gz PTYZGIPWULGNIQ-CQSZACIVSA-N 1 0 285.395 2.344 10 0 CEAERO OC[C@H]1CCC[C@H]1C[NH2+]C1CCN(c2ccccn2)CC1 ZINC000089490406 135059192 /nfs/dbraw/zinc/05/91/92/135059192.db2.gz XUGIMVFFTAHACC-LSDHHAIUSA-N 1 0 289.423 2.049 10 0 CEAERO [NH3+][C@@H]1Cc2ccccc2N(Cc2cncn2C2CC2)C1 ZINC000090237687 135062950 /nfs/dbraw/zinc/06/29/50/135062950.db2.gz UJWBYCKXJNQSFA-CYBMUJFWSA-N 1 0 268.364 2.108 10 0 CEAERO CCOc1cc(N2CCCC[C@@H]2C[NH2+]C(C)C)ncn1 ZINC000090784615 135064661 /nfs/dbraw/zinc/06/46/61/135064661.db2.gz ZWBYERUURKGJOT-CYBMUJFWSA-N 1 0 278.400 2.232 10 0 CEAERO CCCOc1cc(N2C[C@@H](CC)[NH2+]C[C@@H]2CC)ncn1 ZINC000090785251 135064948 /nfs/dbraw/zinc/06/49/48/135064948.db2.gz PKQORQANLCGSKB-OLZOCXBDSA-N 1 0 278.400 2.232 10 0 CEAERO C[C@@H]1CCc2ccccc2N1C(=O)C[C@H]1CSCC[NH2+]1 ZINC000091133881 135067041 /nfs/dbraw/zinc/06/70/41/135067041.db2.gz WCGSFLJALYTLAB-OCCSQVGLSA-N 1 0 290.432 2.449 10 0 CEAERO C[C@H](O)c1ccc(N2CCC[C@@H]([NH+](C)C)C2)c(F)c1 ZINC000091394260 135068728 /nfs/dbraw/zinc/06/87/28/135068728.db2.gz CZEIXJCFRQRZKV-WCQYABFASA-N 1 0 266.360 2.409 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(c2c(N)cccc2Cl)C1 ZINC000091393902 135069079 /nfs/dbraw/zinc/06/90/79/135069079.db2.gz CKGRDCVLUPRFQY-SNVBAGLBSA-N 1 0 253.777 2.453 10 0 CEAERO CCc1ccc(C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)o1 ZINC000091762836 135073695 /nfs/dbraw/zinc/07/36/95/135073695.db2.gz UYXUJNOOLFYQGK-LBPRGKRZSA-N 1 0 270.332 2.372 10 0 CEAERO Cc1cc(Br)cnc1N1CCC(C(N)=[NH2+])CC1 ZINC000094050465 135083098 /nfs/dbraw/zinc/08/30/98/135083098.db2.gz JMRNVVXVXYRVTK-UHFFFAOYSA-N 1 0 297.200 2.305 10 0 CEAERO C[NH2+]C[C@@H]1CCCCN1c1ccc(C(=O)OC)c(F)c1F ZINC000094272043 135085133 /nfs/dbraw/zinc/08/51/33/135085133.db2.gz OVQSNIIAKVLZSH-JTQLQIEISA-N 1 0 298.333 2.330 10 0 CEAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000300576779 394456681 /nfs/dbraw/zinc/45/66/81/394456681.db2.gz CVGGYCMKKDQYPF-ZLDLUXBVSA-N 1 0 267.344 2.344 10 0 CEAERO CC(C)c1nccnc1NC[C@H](C)C[NH+]1CCCC1 ZINC000413063254 394477012 /nfs/dbraw/zinc/47/70/12/394477012.db2.gz CUEMXIRENMURPM-ZDUSSCGKSA-N 1 0 262.401 2.166 10 0 CEAERO CC(C)c1nccnc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000413059722 394477179 /nfs/dbraw/zinc/47/71/79/394477179.db2.gz GQQYBWLMJTWQKD-STQMWFEESA-N 1 0 260.385 2.061 10 0 CEAERO CCC[C@H]([NH3+])C(=O)NCc1ccccc1OC1CCC1 ZINC000236883881 394488990 /nfs/dbraw/zinc/48/89/90/394488990.db2.gz COOMHPVFWWONOF-AWEZNQCLSA-N 1 0 276.380 2.362 10 0 CEAERO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)C[C@H]1N1CCOCC1 ZINC000246445793 394516145 /nfs/dbraw/zinc/51/61/45/394516145.db2.gz MIBOMQOAFJIEFF-CZUORRHYSA-N 1 0 294.826 2.493 10 0 CEAERO NNc1ccc(-c2ccc3ccccc3c2O)n[nH+]1 ZINC000043464954 394504474 /nfs/dbraw/zinc/50/44/74/394504474.db2.gz PFGACLDPHOYPPF-UHFFFAOYSA-N 1 0 252.277 2.288 10 0 CEAERO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCCO[C@H]1C ZINC000253278603 394576318 /nfs/dbraw/zinc/57/63/18/394576318.db2.gz OFIDJTREUWDQHQ-CBBWQLFWSA-N 1 0 282.428 2.038 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)N(CC1CC1)CC1CC1 ZINC000070505404 394586906 /nfs/dbraw/zinc/58/69/06/394586906.db2.gz JIUXTMBVBMQCAH-CQSZACIVSA-N 1 0 250.386 2.025 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC1(C)CCCC1 ZINC000247058514 394525547 /nfs/dbraw/zinc/52/55/47/394525547.db2.gz HFDZDMNRXOVZBM-KBPBESRZSA-N 1 0 279.428 2.445 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(F)cc2)C1 ZINC000048768912 394528353 /nfs/dbraw/zinc/52/83/53/394528353.db2.gz HIGMSVDLWORTMI-CQSZACIVSA-N 1 0 279.359 2.109 10 0 CEAERO C[NH2+][C@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000048775792 394529320 /nfs/dbraw/zinc/52/93/20/394529320.db2.gz WKVIBAKDRLBSQK-MRVPVSSYSA-N 1 0 256.733 2.203 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2Cc3ccccc3C2)C1 ZINC000247464444 394531388 /nfs/dbraw/zinc/53/13/88/394531388.db2.gz URYRRRQKMMSWHJ-CZUORRHYSA-N 1 0 287.407 2.441 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CCCc2cccnc21 ZINC000248844515 394548208 /nfs/dbraw/zinc/54/82/08/394548208.db2.gz SPTRJLGTLMEBBW-BMFZPTHFSA-N 1 0 299.418 2.197 10 0 CEAERO C[C@@H]1CC[C@H](C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)O1 ZINC000248963412 394550244 /nfs/dbraw/zinc/55/02/44/394550244.db2.gz BJWJADPSJNLSDW-QLFBSQMISA-N 1 0 275.396 2.383 10 0 CEAERO CCN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000328132412 394551579 /nfs/dbraw/zinc/55/15/79/394551579.db2.gz ARTKZZCRLRUCOF-KBPBESRZSA-N 1 0 297.443 2.070 10 0 CEAERO CC[C@@](C)(O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(C)C ZINC000249345767 394554028 /nfs/dbraw/zinc/55/40/28/394554028.db2.gz JOZCYFPVUILQHQ-QLFBSQMISA-N 1 0 254.418 2.095 10 0 CEAERO CC[C@@](C)(O)C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000249366870 394554046 /nfs/dbraw/zinc/55/40/46/394554046.db2.gz MOBOKXHTSSAIQS-CVEARBPZSA-N 1 0 261.365 2.279 10 0 CEAERO Cc1cccc(C)c1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261653756 394604755 /nfs/dbraw/zinc/60/47/55/394604755.db2.gz YNGQNGUYHVPCHD-BFHYXJOUSA-N 1 0 258.365 2.113 10 0 CEAERO [NH3+][C@@H]1CC[C@H]2CN(Cc3cc(Cl)cc4c3OCC4)C[C@H]12 ZINC000261857976 394608234 /nfs/dbraw/zinc/60/82/34/394608234.db2.gz XOOCAYBPABTXKP-TUKIKUTGSA-N 1 0 292.810 2.444 10 0 CEAERO CC(C)n1ncc2cc(CN3CC[C@@]4(CC[NH2+]C4)C3)cnc21 ZINC000262106285 394613410 /nfs/dbraw/zinc/61/34/10/394613410.db2.gz WARKERJHXJBSDM-QGZVFWFLSA-N 1 0 299.422 2.198 10 0 CEAERO CC(C)(O)C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000266580094 394667788 /nfs/dbraw/zinc/66/77/88/394667788.db2.gz HMYATZBNBCMINS-HNNXBMFYSA-N 1 0 263.381 2.296 10 0 CEAERO COc1ccc(OCCN2[C@H](C)COC[C@@H]2C)cc1 ZINC000077367767 394622265 /nfs/dbraw/zinc/62/22/65/394622265.db2.gz YLAMBODTBJVOMI-BETUJISGSA-N 1 0 265.353 2.183 10 0 CEAERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1cccc(F)c1 ZINC000105872225 394722734 /nfs/dbraw/zinc/72/27/34/394722734.db2.gz UXCAVQBUGYKBKV-GWCFXTLKSA-N 1 0 260.316 2.083 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc2c1CCC2 ZINC000113229483 394748059 /nfs/dbraw/zinc/74/80/59/394748059.db2.gz QTAIQYXSEFZTBM-DZGCQCFKSA-N 1 0 284.403 2.484 10 0 CEAERO CC[C@](C)(O)C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000119094316 394763967 /nfs/dbraw/zinc/76/39/67/394763967.db2.gz ANUMRISLLDDWCC-WFASDCNBSA-N 1 0 286.416 2.040 10 0 CEAERO CCC[N@H+](CC(=O)OC(C)(C)C)C[C@@](C)(O)CC ZINC000119495219 394769606 /nfs/dbraw/zinc/76/96/06/394769606.db2.gz KQKQSHANEZQALA-AWEZNQCLSA-N 1 0 259.390 2.201 10 0 CEAERO C[NH2+][C@H](C)C(=O)Nc1ccc(Br)c(OC)c1 ZINC000123634944 394829973 /nfs/dbraw/zinc/82/99/73/394829973.db2.gz YUQMWILEINAZLD-SSDOTTSWSA-N 1 0 287.157 2.004 10 0 CEAERO C[C@@H]1CCCC[C@H]1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171897444 395099741 /nfs/dbraw/zinc/09/97/41/395099741.db2.gz FWNSEZFAYKHNIW-MGPQQGTHSA-N 1 0 265.401 2.055 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1occc1C ZINC000175038454 395130957 /nfs/dbraw/zinc/13/09/57/395130957.db2.gz HNBXGJWOZKREAQ-QWHCGFSZSA-N 1 0 262.353 2.287 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)OCC(F)(F)F)[C@@H](C)C1 ZINC000177029562 395145322 /nfs/dbraw/zinc/14/53/22/395145322.db2.gz FCFQACAEKQEOPA-IUCAKERBSA-N 1 0 268.279 2.004 10 0 CEAERO CC(C)OCCCCNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000181896440 395226508 /nfs/dbraw/zinc/22/65/08/395226508.db2.gz GXPQAJAKPKSVFV-CABCVRRESA-N 1 0 299.459 2.220 10 0 CEAERO Cc1cccc([C@H](C)NC[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000394063407 395203858 /nfs/dbraw/zinc/20/38/58/395203858.db2.gz RCEOXQCWTVLBKJ-XJKSGUPXSA-N 1 0 262.397 2.101 10 0 CEAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](C)C1CCC1)CC2 ZINC000180650496 395204655 /nfs/dbraw/zinc/20/46/55/395204655.db2.gz KLWSUMFAVRXSOF-WCQYABFASA-N 1 0 262.401 2.495 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCNC(=O)OC(C)(C)C ZINC000180828391 395206383 /nfs/dbraw/zinc/20/63/83/395206383.db2.gz JNXVTEYIBMDSAY-ZIAGYGMSSA-N 1 0 297.443 2.070 10 0 CEAERO CC[C@@H]1CN(C(=O)[C@H](C)OCc2ccccc2)CC[C@@H]1[NH3+] ZINC000404360241 395282952 /nfs/dbraw/zinc/28/29/52/395282952.db2.gz QDXQJNXDISYWGG-IMJJTQAJSA-N 1 0 290.407 2.178 10 0 CEAERO C[C@@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)c1cccs1 ZINC000192864788 395395509 /nfs/dbraw/zinc/39/55/09/395395509.db2.gz VVIUGUJFMUEFPJ-SECBINFHSA-N 1 0 283.397 2.023 10 0 CEAERO CCC[C@]1(COC)CCC[N@@H+]1Cc1nnnn1C(C)C ZINC000194946056 395454736 /nfs/dbraw/zinc/45/47/36/395454736.db2.gz KHOMMJUEMHXOIT-CQSZACIVSA-N 1 0 281.404 2.035 10 0 CEAERO CCCCOC[C@H](O)C[NH2+]C(C)(C)c1ncc(C)s1 ZINC000195217252 395462144 /nfs/dbraw/zinc/46/21/44/395462144.db2.gz OAWVOXFSLSLVGT-GFCCVEGCSA-N 1 0 286.441 2.454 10 0 CEAERO CN(OCc1ccccc1)C(=O)CCCCC[NH3+] ZINC000196482274 395468816 /nfs/dbraw/zinc/46/88/16/395468816.db2.gz FUSYIVJVVGZHJV-UHFFFAOYSA-N 1 0 250.342 2.096 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccc(OCCC(=O)NC)c(Cl)c1 ZINC000051762155 522643124 /nfs/dbraw/zinc/64/31/24/522643124.db2.gz RQZXITMEIFXVET-LLVKDONJSA-N 1 0 284.787 2.135 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)CCc2ccc(F)cc2)C1 ZINC000194636152 395444810 /nfs/dbraw/zinc/44/48/10/395444810.db2.gz KMEPJANGSLOZCX-OAHLLOKOSA-N 1 0 278.371 2.359 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cccc2ccncc21 ZINC000648128072 395842881 /nfs/dbraw/zinc/84/28/81/395842881.db2.gz CPBZYUFNAKEZHS-XHDPSFHLSA-N 1 0 269.348 2.105 10 0 CEAERO COCc1nc(C[NH2+][C@H](C)[C@H](OC)C2CC2)cs1 ZINC000648797035 395985833 /nfs/dbraw/zinc/98/58/33/395985833.db2.gz IVSQDMTYTDXQFU-RNCFNFMXSA-N 1 0 270.398 2.193 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1cc(C)nn1C)c1cnn(C)c1 ZINC000052308964 522645734 /nfs/dbraw/zinc/64/57/34/522645734.db2.gz REBVCWQJTANVBR-YPMHNXCESA-N 1 0 279.413 2.033 10 0 CEAERO [NH3+]C1CCC(C(=O)Nc2ccc3n[nH]cc3c2)CC1 ZINC000037655197 400117875 /nfs/dbraw/zinc/11/78/75/400117875.db2.gz KLMWMMGVWCEERF-UHFFFAOYSA-N 1 0 258.325 2.019 10 0 CEAERO Cc1cccc(CN(C)C(=O)C2CCC([NH3+])CC2)c1 ZINC000037807914 400119988 /nfs/dbraw/zinc/11/99/88/400119988.db2.gz XXNGDINKSIMNJX-UHFFFAOYSA-N 1 0 260.381 2.471 10 0 CEAERO CC[C@H]1CN(c2nc(C(F)(F)F)ns2)CC[C@H]1[NH3+] ZINC000300292530 400327139 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401309577 /nfs/dbraw/zinc/30/95/77/401309577.db2.gz JAZDDDFDANLZJR-MRXNPFEDSA-N 1 0 266.429 2.002 10 0 CEAERO COCC1(C[N@@H+]2C[C@H]3CCCCN3C[C@H]2C)CCC1 ZINC000336814625 292235151 /nfs/dbraw/zinc/23/51/51/292235151.db2.gz GBJZKMDGSACCAD-HUUCEWRRSA-N 1 0 266.429 2.362 10 0 CEAERO Cc1ccc([C@H](C)[NH2+][C@H](C)CS(C)(=O)=O)c(C)c1 ZINC000081900569 292247830 /nfs/dbraw/zinc/24/78/30/292247830.db2.gz MCJGAXWODABZJU-OLZOCXBDSA-N 1 0 269.410 2.387 10 0 CEAERO CCc1ccccc1CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000188404052 153053602 /nfs/dbraw/zinc/05/36/02/153053602.db2.gz FCTROYYQKAQYOO-YOEHRIQHSA-N 1 0 286.419 2.487 10 0 CEAERO Fc1ccc(C[NH+]2CCC(Cn3cccn3)CC2)cn1 ZINC000189342773 153088755 /nfs/dbraw/zinc/08/87/55/153088755.db2.gz AJBFBAXBPPRHFU-UHFFFAOYSA-N 1 0 274.343 2.329 10 0 CEAERO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](C[Si](C)(C)C)C1 ZINC000189344328 153091079 /nfs/dbraw/zinc/09/10/79/153091079.db2.gz RTRHIGHASFMHFH-WDEREUQCSA-N 1 0 269.421 2.017 10 0 CEAERO CCc1nc2n(n1)CCC[C@@H]2[NH2+]C1CC(OC(C)C)C1 ZINC000189548904 153098950 /nfs/dbraw/zinc/09/89/50/153098950.db2.gz GEEYJTAJGIJZMR-BPCQOVAHSA-N 1 0 278.400 2.221 10 0 CEAERO CO[C@H](C)[C@H](C)NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000189735657 153106233 /nfs/dbraw/zinc/10/62/33/153106233.db2.gz GOMJDOHXLXWJSZ-GUTXKFCHSA-N 1 0 293.411 2.012 10 0 CEAERO CC[C@@H](C)C[N@@H+]1CCO[C@H](c2cnn(CC)c2)C1 ZINC000191699478 153184207 /nfs/dbraw/zinc/18/42/07/153184207.db2.gz KRKSCLDLOVOLDY-OCCSQVGLSA-N 1 0 251.374 2.322 10 0 CEAERO c1n[nH]cc1[C@@H]1CCCC[N@H+]1CCO[C@@H]1CCCCO1 ZINC000193072084 153226708 /nfs/dbraw/zinc/22/67/08/153226708.db2.gz PLAIWGWIHDMHBW-LSDHHAIUSA-N 1 0 279.384 2.480 10 0 CEAERO CC(C)n1nnnc1C[N@H+](C)[C@@H]1CCCC[C@H]1C ZINC000195061183 153273685 /nfs/dbraw/zinc/27/36/85/153273685.db2.gz QEFRUOHZUBPQGU-VXGBXAGGSA-N 1 0 251.378 2.265 10 0 CEAERO CC(C)n1nnnc1C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000195101579 153275691 /nfs/dbraw/zinc/27/56/91/153275691.db2.gz JQSVBHRYBROQRC-CYBMUJFWSA-N 1 0 263.389 2.409 10 0 CEAERO O=C(Cc1c(F)cccc1Cl)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195314774 153282701 /nfs/dbraw/zinc/28/27/01/153282701.db2.gz PYZUFHBQLOFQBK-LLVKDONJSA-N 1 0 296.773 2.328 10 0 CEAERO CN(C)c1cccc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000195319650 153284187 /nfs/dbraw/zinc/28/41/87/153284187.db2.gz RELHWAPDRIGGAD-INIZCTEOSA-N 1 0 287.407 2.063 10 0 CEAERO COc1cccc([C@@H](C)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000195337098 153286049 /nfs/dbraw/zinc/28/60/49/153286049.db2.gz LSHGKBGHSBBWMB-UKRRQHHQSA-N 1 0 288.391 2.105 10 0 CEAERO CCSc1cc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)ccn1 ZINC000195337123 153287244 /nfs/dbraw/zinc/28/72/44/153287244.db2.gz VNOGYHHWHFDVRI-CYBMUJFWSA-N 1 0 291.420 2.114 10 0 CEAERO CCCN(CCC)C(=O)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195505957 153291378 /nfs/dbraw/zinc/29/13/78/153291378.db2.gz FITQWBSTTMUEQO-UHFFFAOYSA-N 1 0 292.427 2.238 10 0 CEAERO Cc1cc(C)c(NC(=O)C[N@@H+]2CC[C@@H](CCO)C2)c(C)c1 ZINC000227566051 153346787 /nfs/dbraw/zinc/34/67/87/153346787.db2.gz NMSJXWVKPXDIGF-HNNXBMFYSA-N 1 0 290.407 2.255 10 0 CEAERO O=C(CC[N@H+]1CC[C@H](CCO)C1)Nc1cccc(Cl)c1 ZINC000227572674 153347333 /nfs/dbraw/zinc/34/73/33/153347333.db2.gz JYZJMQMFVYKNDW-GFCCVEGCSA-N 1 0 296.798 2.373 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN2CC)C12CCOCC2 ZINC000248991325 286390798 /nfs/dbraw/zinc/39/07/98/286390798.db2.gz LDMACCLWVDYODW-OWCLPIDISA-N 1 0 296.455 2.035 10 0 CEAERO CCc1cc(CC)nc(N2CCC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000261584669 153778920 /nfs/dbraw/zinc/77/89/20/153778920.db2.gz HXPMAUKAOLUJIJ-NEPJUHHUSA-N 1 0 262.401 2.165 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Nc3cccc(F)c3)C[C@@H]12 ZINC000261629322 153794728 /nfs/dbraw/zinc/79/47/28/153794728.db2.gz VTOCJGCPEMSJEC-OASPWFOLSA-N 1 0 263.316 2.027 10 0 CEAERO C[C@@H]([NH3+])CC(=O)N[C@H](C)c1nc(-c2ccncc2)cs1 ZINC000261709990 153817446 /nfs/dbraw/zinc/81/74/46/153817446.db2.gz DIFPUHWMISZQML-NXEZZACHSA-N 1 0 290.392 2.120 10 0 CEAERO COCC1(CNc2nccc(C(C)(C)C)n2)CC[NH2+]CC1 ZINC000261806119 153845391 /nfs/dbraw/zinc/84/53/91/153845391.db2.gz ZHUCCYRNBPXZIX-UHFFFAOYSA-N 1 0 292.427 2.202 10 0 CEAERO C[C@H]([NH3+])CC(=O)N1C[C@H](c2ccccc2)C(C)(C)C1 ZINC000261863297 153862295 /nfs/dbraw/zinc/86/22/95/153862295.db2.gz PCVLTRUFESLGNM-GXTWGEPZSA-N 1 0 260.381 2.376 10 0 CEAERO C[NH2+]CCC(=O)Nc1c(C)cccc1OC(F)F ZINC000262052239 153905253 /nfs/dbraw/zinc/90/52/53/153905253.db2.gz HNTQFVHJAURQNM-UHFFFAOYSA-N 1 0 258.268 2.144 10 0 CEAERO CC1(C)CN(C(=O)CCCOc2ccccc2)CC[C@H]1[NH3+] ZINC000262105145 153914500 /nfs/dbraw/zinc/91/45/00/153914500.db2.gz VFPWEQJZGIXIKY-OAHLLOKOSA-N 1 0 290.407 2.431 10 0 CEAERO CC(C)c1nc([C@H]2CCCN2C[C@]2(C)CC[NH2+]C2)no1 ZINC000262142788 153916716 /nfs/dbraw/zinc/91/67/16/153916716.db2.gz ZFJGFKJCUYAYBU-IUODEOHRSA-N 1 0 278.400 2.330 10 0 CEAERO C[C@H](C(=O)NCC(C)(C)c1ccc(F)cc1)C1C[NH2+]C1 ZINC000262538295 153957471 /nfs/dbraw/zinc/95/74/71/153957471.db2.gz MWHGTJSICMLUBV-NSHDSACASA-N 1 0 278.371 2.075 10 0 CEAERO CN1CC[NH2+]C[C@H]1c1noc(C2CCCCCCC2)n1 ZINC000263193582 154030865 /nfs/dbraw/zinc/03/08/65/154030865.db2.gz IELDCINIMITYHM-ZDUSSCGKSA-N 1 0 278.400 2.474 10 0 CEAERO COC[C@@H]([NH3+])C(=O)Nc1cccc(C2SCCS2)c1 ZINC000263229900 154038920 /nfs/dbraw/zinc/03/89/20/154038920.db2.gz HUFFHJLAQRQXSY-LLVKDONJSA-N 1 0 298.433 2.077 10 0 CEAERO CC(C)c1ccsc1-c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263224106 154039040 /nfs/dbraw/zinc/03/90/40/154039040.db2.gz MMVAWCKXVWMHDF-LLVKDONJSA-N 1 0 292.408 2.498 10 0 CEAERO CC(C)c1ccsc1-c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263224107 154039603 /nfs/dbraw/zinc/03/96/03/154039603.db2.gz MMVAWCKXVWMHDF-NSHDSACASA-N 1 0 292.408 2.498 10 0 CEAERO CCc1sc(-c2nc([C@H]3C[NH2+]CCN3C)no2)cc1C ZINC000263285396 154049464 /nfs/dbraw/zinc/04/94/64/154049464.db2.gz UXWFFANWTJLUBB-SNVBAGLBSA-N 1 0 292.408 2.245 10 0 CEAERO CC1(C)CC([NH2+]C2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)C1 ZINC000263484286 154096128 /nfs/dbraw/zinc/09/61/28/154096128.db2.gz GZORTSVAKXYUQY-UHFFFAOYSA-N 1 0 280.412 2.092 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+][C@@H]2CCC[C@H](C)C2)C1 ZINC000263486602 154100811 /nfs/dbraw/zinc/10/08/11/154100811.db2.gz HNCLZGRQKKRPOF-MRFVTOPCSA-N 1 0 268.401 2.092 10 0 CEAERO Fc1cccc(CN2CCC[C@H]3C[NH2+]C[C@H]32)c1F ZINC000299921458 154178334 /nfs/dbraw/zinc/17/83/34/154178334.db2.gz QCHRURBFXMASHJ-GXFFZTMASA-N 1 0 252.308 2.149 10 0 CEAERO CO[C@H]1C[C@H](CO)[N@H+](Cc2csc3ccccc23)C1 ZINC000344081016 154269405 /nfs/dbraw/zinc/26/94/05/154269405.db2.gz CJDGNJPFKKEWKK-OLZOCXBDSA-N 1 0 277.389 2.483 10 0 CEAERO C[C@@H](C(=O)Nc1ccc2ncccc2c1)C1C[NH2+]C1 ZINC000164506299 162333016 /nfs/dbraw/zinc/33/30/16/162333016.db2.gz QCGOHBPMMKQIAA-SNVBAGLBSA-N 1 0 255.321 2.029 10 0 CEAERO CCC[NH2+]CCNc1cncc(Br)c1 ZINC000261527657 162541581 /nfs/dbraw/zinc/54/15/81/162541581.db2.gz FIUZKPTXHSWAFI-UHFFFAOYSA-N 1 0 258.163 2.256 10 0 CEAERO CCCc1ncc(C(=O)N[C@@H]2CCC[N@H+](CC)C2)s1 ZINC000173562351 165074248 /nfs/dbraw/zinc/07/42/48/165074248.db2.gz HIFLSLUDUAIPKI-LLVKDONJSA-N 1 0 281.425 2.310 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC(C1CC1)C1CC1 ZINC000173657269 165076509 /nfs/dbraw/zinc/07/65/09/165076509.db2.gz FWUFKWNWUWCMDP-HUUCEWRRSA-N 1 0 291.439 2.443 10 0 CEAERO CCSCC[C@@H](C)NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000173624094 165080336 /nfs/dbraw/zinc/08/03/36/165080336.db2.gz CYVWVGBBCSDKPO-ZIAGYGMSSA-N 1 0 299.484 2.398 10 0 CEAERO c1ccc2c(c1)CCC[C@H]2[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173932017 165089882 /nfs/dbraw/zinc/08/98/82/165089882.db2.gz GJCZWSUCAAITIN-FUHWJXTLSA-N 1 0 286.419 2.471 10 0 CEAERO COCC[NH2+]CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000174483934 165106686 /nfs/dbraw/zinc/10/66/86/165106686.db2.gz LUWNQDYIXKLOHA-UHFFFAOYSA-N 1 0 296.370 2.432 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCC(C)C ZINC000176132251 165154359 /nfs/dbraw/zinc/15/43/59/165154359.db2.gz XEYQYGKZVDLGMM-CYBMUJFWSA-N 1 0 255.406 2.158 10 0 CEAERO CCc1nnc(NC(=O)N(C)C[C@H]2CCC[N@H+]2CC)s1 ZINC000176264558 165158184 /nfs/dbraw/zinc/15/81/84/165158184.db2.gz FUMNZTGJGBEZQX-SNVBAGLBSA-N 1 0 297.428 2.049 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCC1CCC1 ZINC000176688305 165170991 /nfs/dbraw/zinc/17/09/91/165170991.db2.gz NDEZPOYMDZPICQ-TZMCWYRMSA-N 1 0 250.386 2.262 10 0 CEAERO CCC(CC)[N@H+](CC(C)C)C[C@@H](O)CN1CCCC1=O ZINC000177064975 165187287 /nfs/dbraw/zinc/18/72/87/165187287.db2.gz LJYGYKZSVODAOL-HNNXBMFYSA-N 1 0 284.444 2.116 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)C(=O)NC(C)(C)CC ZINC000177705835 165206902 /nfs/dbraw/zinc/20/69/02/165206902.db2.gz DARVRGGEUSTTSZ-KBPBESRZSA-N 1 0 283.460 2.096 10 0 CEAERO CSc1ccc(O[C@H](C)C(=O)NCC[C@@H](C)[NH3+])cc1 ZINC000178632911 165252592 /nfs/dbraw/zinc/25/25/92/165252592.db2.gz BEFBYFHZKBRWCM-GHMZBOCLSA-N 1 0 282.409 2.029 10 0 CEAERO Cc1cnn([C@H]2CCCN(C(=O)[C@H]([NH3+])c3ccccc3)C2)c1 ZINC000178783631 165260908 /nfs/dbraw/zinc/26/09/08/165260908.db2.gz PVVOZYUJSFCSDX-JKSUJKDBSA-N 1 0 298.390 2.055 10 0 CEAERO [NH3+][C@H]1CC[C@H](C(=O)N2CCN(CC3CC3)c3ccccc32)C1 ZINC000178834243 165260919 /nfs/dbraw/zinc/26/09/19/165260919.db2.gz GWZMGYZKDISDMY-GJZGRUSLSA-N 1 0 299.418 2.377 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)CCCN2 ZINC000179039228 165266255 /nfs/dbraw/zinc/26/62/55/165266255.db2.gz RAJXPLRAWHZQAK-QMTHXVAHSA-N 1 0 261.369 2.357 10 0 CEAERO CCC[C@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C(C)C ZINC000179410367 165278141 /nfs/dbraw/zinc/27/81/41/165278141.db2.gz FTUACKAKEYWLTR-KGLIPLIRSA-N 1 0 252.402 2.365 10 0 CEAERO CC[C@H](C)C[NH2+][C@H]1CCc2nnc(C(C)C)n2C1 ZINC000180231575 165302799 /nfs/dbraw/zinc/30/27/99/165302799.db2.gz MBLUQQGMVJGTGR-RYUDHWBXSA-N 1 0 250.390 2.352 10 0 CEAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H](C)C(C)C)CC2 ZINC000180505239 165314090 /nfs/dbraw/zinc/31/40/90/165314090.db2.gz VJWWHCDNWVKKCX-RYUDHWBXSA-N 1 0 250.390 2.350 10 0 CEAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H](C)C(C)C)CC2 ZINC000180505221 165314367 /nfs/dbraw/zinc/31/43/67/165314367.db2.gz VJWWHCDNWVKKCX-NWDGAFQWSA-N 1 0 250.390 2.350 10 0 CEAERO O=C(CC[N@@H+]1CCC[C@@H](Cn2cncn2)C1)c1ccccc1 ZINC000182304988 165370245 /nfs/dbraw/zinc/37/02/45/165370245.db2.gz JVIQUAAXMXISHG-OAHLLOKOSA-N 1 0 298.390 2.263 10 0 CEAERO CC[C@@H]1CN(C(=O)N[C@H](CC(C)C)C[NH+](C)C)C[C@@H](C)O1 ZINC000247376166 287147134 /nfs/dbraw/zinc/14/71/34/287147134.db2.gz FSPGLLITJPEWEN-RBSFLKMASA-N 1 0 299.459 2.172 10 0 CEAERO [NH3+]C[C@H](c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000008031276 170315028 /nfs/dbraw/zinc/31/50/28/170315028.db2.gz VFBPIPNDJUJURY-CQSZACIVSA-N 1 0 297.326 2.439 10 0 CEAERO COc1cccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000008583745 170342366 /nfs/dbraw/zinc/34/23/66/170342366.db2.gz LIJMFVZBVMEYGI-AWEZNQCLSA-N 1 0 289.379 2.397 10 0 CEAERO [NH3+]Cc1ccc(Cn2c(=O)oc3ccccc32)c(F)c1 ZINC000019271981 170767315 /nfs/dbraw/zinc/76/73/15/170767315.db2.gz WERSNHZRPFVBOQ-UHFFFAOYSA-N 1 0 272.279 2.241 10 0 CEAERO O=C([C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CCc2ccccc21 ZINC000019432998 170798228 /nfs/dbraw/zinc/79/82/28/170798228.db2.gz YXYUASCANQBKCC-QLFBSQMISA-N 1 0 270.376 2.496 10 0 CEAERO O=C(NCc1ccccc1)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000019436599 170800196 /nfs/dbraw/zinc/80/01/96/170800196.db2.gz FQVIJVRYWWIBEZ-QLFBSQMISA-N 1 0 258.365 2.224 10 0 CEAERO O=C(NCC[C@@H]1CCCC[NH2+]1)NC1CCCCC1 ZINC000019438553 170801039 /nfs/dbraw/zinc/80/10/39/170801039.db2.gz ANYBCUSCEYICKW-LBPRGKRZSA-N 1 0 253.390 2.151 10 0 CEAERO CC[C@H]([NH3+])c1ccccc1O[C@H]1CCCCNC1=O ZINC000019813327 170879881 /nfs/dbraw/zinc/87/98/81/170879881.db2.gz DYTIPFJBKDETCL-JSGCOSHPSA-N 1 0 262.353 2.144 10 0 CEAERO CC(=O)NCC[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000020148898 171037409 /nfs/dbraw/zinc/03/74/09/171037409.db2.gz FAJRKERSRBGNHY-ORGDTZJYSA-N 1 0 264.413 2.317 10 0 CEAERO CC(=O)NCC[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000020185195 171048154 /nfs/dbraw/zinc/04/81/54/171048154.db2.gz AXHJSEUNVHWOEZ-LBPRGKRZSA-N 1 0 260.381 2.352 10 0 CEAERO CC[C@@H](C)NS(=O)(=O)c1ccc(C[NH2+]C(C)C)cc1 ZINC000020188654 171053723 /nfs/dbraw/zinc/05/37/23/171053723.db2.gz BJVOPVCRXVTFLU-GFCCVEGCSA-N 1 0 284.425 2.261 10 0 CEAERO Cc1ccc(C[NH3+])cc1S(=O)(=O)Nc1ccccc1 ZINC000020189496 171055647 /nfs/dbraw/zinc/05/56/47/171055647.db2.gz DVOAOFANUYQDRT-UHFFFAOYSA-N 1 0 276.361 2.255 10 0 CEAERO CCCN(C)[C@@H](C[NH3+])c1ccc(OC)cc1OC ZINC000020226490 171091973 /nfs/dbraw/zinc/09/19/73/171091973.db2.gz COKXRPOADXVXOD-ZDUSSCGKSA-N 1 0 252.358 2.045 10 0 CEAERO [NH3+]CCCN(C(=O)c1cccnc1)c1ccccc1 ZINC000020232392 171094795 /nfs/dbraw/zinc/09/47/95/171094795.db2.gz WMGPTFZJXDKCKN-UHFFFAOYSA-N 1 0 255.321 2.077 10 0 CEAERO COc1ccc([C@H]([NH3+])CN2CCCCC2)cc1F ZINC000020260316 171117218 /nfs/dbraw/zinc/11/72/18/171117218.db2.gz NFJMQGCLRRFYQC-CYBMUJFWSA-N 1 0 252.333 2.320 10 0 CEAERO [NH3+][C@@H](CN1CCOC1=O)c1cccc2ccccc21 ZINC000020262236 171119481 /nfs/dbraw/zinc/11/94/81/171119481.db2.gz LVUXZNAJBYPOHL-AWEZNQCLSA-N 1 0 256.305 2.292 10 0 CEAERO Cc1ccc(CN(C)c2cc(C(N)=[NH2+])ccn2)cc1 ZINC000020264656 171122215 /nfs/dbraw/zinc/12/22/15/171122215.db2.gz KNUPOMMAVYOCLV-UHFFFAOYSA-N 1 0 254.337 2.310 10 0 CEAERO C[NH+](C)CCNc1ccc(I)cc1 ZINC000020359130 171158354 /nfs/dbraw/zinc/15/83/54/171158354.db2.gz RHIMOAOXSNXPBP-UHFFFAOYSA-N 1 0 290.148 2.265 10 0 CEAERO CCN(CC)C(=O)[C@H](C)[NH2+]CCc1ccc(OC)cc1 ZINC000020364331 171163218 /nfs/dbraw/zinc/16/32/18/171163218.db2.gz VZMIBAWZPINGIC-ZDUSSCGKSA-N 1 0 278.396 2.084 10 0 CEAERO [NH3+][C@@H](Cc1c[nH]cn1)c1nc2cc(Cl)ccc2[nH]1 ZINC000020374755 171170036 /nfs/dbraw/zinc/17/00/36/171170036.db2.gz WPRDJZAJVINGEW-VIFPVBQESA-N 1 0 261.716 2.182 10 0 CEAERO CC(C)CNC(=O)[C@@H](C)Oc1ccc([C@H](C)[NH3+])cc1 ZINC000020419337 171183887 /nfs/dbraw/zinc/18/38/87/171183887.db2.gz YCTUVNLTCYMOEB-NWDGAFQWSA-N 1 0 264.369 2.246 10 0 CEAERO CC[C@H]([NH3+])c1ccc(O[C@H](C)C(=O)N2CCCC2)cc1 ZINC000020419617 171184206 /nfs/dbraw/zinc/18/42/06/171184206.db2.gz ZDPHTBKPSUZLFZ-DOMZBBRYSA-N 1 0 276.380 2.486 10 0 CEAERO C[C@@H]1CCC[C@H](C(=O)Nc2c(F)cccc2F)[NH2+]1 ZINC000020476460 171220736 /nfs/dbraw/zinc/22/07/36/171220736.db2.gz DMIUAXBLJKIJDK-LDYMZIIASA-N 1 0 254.280 2.434 10 0 CEAERO C[C@H](C(=O)Nc1ccc(Cl)cc1N)[NH+]1CCCC1 ZINC000022155250 171361911 /nfs/dbraw/zinc/36/19/11/171361911.db2.gz XCWALNCXRTYMKY-SECBINFHSA-N 1 0 267.760 2.345 10 0 CEAERO C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000022163040 171364730 /nfs/dbraw/zinc/36/47/30/171364730.db2.gz RXOHXYNRGHWVIZ-BXUZGUMPSA-N 1 0 282.409 2.002 10 0 CEAERO COc1ccc([C@@H](C[NH3+])N(C)C(C)C)c(OC)c1 ZINC000022167740 171366587 /nfs/dbraw/zinc/36/65/87/171366587.db2.gz SLWVQTKUVPWDKA-CYBMUJFWSA-N 1 0 252.358 2.044 10 0 CEAERO C[C@@H]1CN([C@@H](C[NH3+])c2cccc(C(F)(F)F)c2)CCO1 ZINC000022222007 171378840 /nfs/dbraw/zinc/37/88/40/171378840.db2.gz DXGHJBSVXNUONK-MFKMUULPSA-N 1 0 288.313 2.426 10 0 CEAERO CC(C)N(C)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000022222109 171378943 /nfs/dbraw/zinc/37/89/43/171378943.db2.gz MQQMGBYZFWASPQ-QMMMGPOBSA-N 1 0 261.163 2.382 10 0 CEAERO CC[NH+](CC)CCOc1ccccc1OCC(C)=O ZINC000027873257 171535259 /nfs/dbraw/zinc/53/52/59/171535259.db2.gz YFLJJXAMDIXAAA-UHFFFAOYSA-N 1 0 265.353 2.375 10 0 CEAERO Cc1ccc(OC[C@H](O)C[NH2+]CC(C)C)cc1C ZINC000032106922 171698507 /nfs/dbraw/zinc/69/85/07/171698507.db2.gz MDHKSIDUVWIGFI-CQSZACIVSA-N 1 0 251.370 2.289 10 0 CEAERO CCC[NH2+]Cc1ccc(O[C@@H](C)C(=O)NCC)cc1 ZINC000034657815 171850702 /nfs/dbraw/zinc/85/07/02/171850702.db2.gz DBFUZFCRCGUADD-LBPRGKRZSA-N 1 0 264.369 2.090 10 0 CEAERO O=C(NCCC[NH+]1CCCC1)c1c[nH]c2ccccc12 ZINC000035137705 172004877 /nfs/dbraw/zinc/00/48/77/172004877.db2.gz LWIGJVKDFJBQDJ-UHFFFAOYSA-N 1 0 271.364 2.384 10 0 CEAERO OCC[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000035223213 172067400 /nfs/dbraw/zinc/06/74/00/172067400.db2.gz KPVAZDYTBVAJQY-UHFFFAOYSA-N 1 0 251.660 2.023 10 0 CEAERO COC(=O)c1cc(C[NH2+][C@@H](C)[C@@H]2CCCO2)oc1C ZINC000035273867 172094485 /nfs/dbraw/zinc/09/44/85/172094485.db2.gz XEKFTMGGTZHHSF-ZANVPECISA-N 1 0 267.325 2.032 10 0 CEAERO CCNC(=O)COc1c2ccccc2ccc1[C@H](C)[NH3+] ZINC000035427357 172194317 /nfs/dbraw/zinc/19/43/17/172194317.db2.gz GCBLILRSJVDENJ-NSHDSACASA-N 1 0 272.348 2.374 10 0 CEAERO C[NH2+]Cc1c(N2CCC[C@H](C)C2)nc2sccn12 ZINC000035429687 172197861 /nfs/dbraw/zinc/19/78/61/172197861.db2.gz FLVGDDVXINRIQV-JTQLQIEISA-N 1 0 264.398 2.352 10 0 CEAERO CCN(CC)c1nc2ccccn2c1C[NH2+]C1CC1 ZINC000035433871 172201751 /nfs/dbraw/zinc/20/17/51/172201751.db2.gz FFLKTUVLPHYQHJ-UHFFFAOYSA-N 1 0 258.369 2.433 10 0 CEAERO CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000035571753 172267600 /nfs/dbraw/zinc/26/76/00/172267600.db2.gz WKQFPVZPKMAOHI-WCQYABFASA-N 1 0 280.343 2.487 10 0 CEAERO C[C@@H](CO)[NH2+][C@@H](c1ccccc1)c1ccc(O)cc1 ZINC000035603254 172291781 /nfs/dbraw/zinc/29/17/81/172291781.db2.gz OIEHASWIADSZES-LRDDRELGSA-N 1 0 257.333 2.452 10 0 CEAERO CCCNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCC)cc1 ZINC000035632738 172315356 /nfs/dbraw/zinc/31/53/56/172315356.db2.gz ZELSWPLQZPJYPX-GFCCVEGCSA-N 1 0 284.425 2.436 10 0 CEAERO C[NH2+]Cc1cc(Cl)cc(Cl)c1OC[C@@H](C)C(N)=O ZINC000035661981 172340139 /nfs/dbraw/zinc/34/01/39/172340139.db2.gz JOYVRHZJCFZLGM-SSDOTTSWSA-N 1 0 291.178 2.213 10 0 CEAERO COc1ccc2[nH]c(SC[C@H](C)C[NH3+])nc2c1 ZINC000035723968 172379149 /nfs/dbraw/zinc/37/91/49/172379149.db2.gz JITKIYLMYBTJHV-MRVPVSSYSA-N 1 0 251.355 2.258 10 0 CEAERO C[C@@H]([NH2+]CC(=O)Nc1cccc(Cl)c1)[C@@H]1CCCO1 ZINC000035735816 172388214 /nfs/dbraw/zinc/38/82/14/172388214.db2.gz QFQFPHFETRRDHJ-MFKMUULPSA-N 1 0 282.771 2.436 10 0 CEAERO COc1ccc(Br)cc1[C@H](O)[C@@H]1CCC[NH2+]1 ZINC000036176965 172496659 /nfs/dbraw/zinc/49/66/59/172496659.db2.gz LCZIFQDPOOOSLT-JQWIXIFHSA-N 1 0 286.169 2.243 10 0 CEAERO [NH3+][C@H]1CC[C@@H]2CN(c3ccc(Br)cn3)C[C@@H]2C1 ZINC000036269138 172564499 /nfs/dbraw/zinc/56/44/99/172564499.db2.gz SKGIDVHZWOFUAE-SCVCMEIPSA-N 1 0 296.212 2.408 10 0 CEAERO CCC[NH+](CCC)CCc1cccc2c1CC(=O)N2CO ZINC000036430063 172635613 /nfs/dbraw/zinc/63/56/13/172635613.db2.gz GEIDKKVKHLHETQ-UHFFFAOYSA-N 1 0 290.407 2.190 10 0 in-vitro CEAERO C[C@H]1CCCC[C@H]1NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000036757189 172681159 /nfs/dbraw/zinc/68/11/59/172681159.db2.gz OIZBRTBOIPSKSG-MELADBBJSA-N 1 0 252.402 2.461 10 0 CEAERO CN(Cc1ccccn1)C[C@H]([NH3+])Cc1ccccc1 ZINC000036777699 172694792 /nfs/dbraw/zinc/69/47/92/172694792.db2.gz RARRJNAZLPTDBV-OAHLLOKOSA-N 1 0 255.365 2.083 10 0 CEAERO CCC(C)(C)[NH2+]Cc1sc(N(C)C)nc1OC ZINC000036907155 172796567 /nfs/dbraw/zinc/79/65/67/172796567.db2.gz MHKMYUHLPZPCDO-UHFFFAOYSA-N 1 0 257.403 2.496 10 0 CEAERO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccccc1-c1nc(C)no1 ZINC000037013352 172872071 /nfs/dbraw/zinc/87/20/71/172872071.db2.gz QDMNBRWHRJDWSE-RNCFNFMXSA-N 1 0 288.351 2.357 10 0 CEAERO CC(C)N(C(=O)CSCC[NH3+])C1CCCCC1 ZINC000037035528 172903636 /nfs/dbraw/zinc/90/36/36/172903636.db2.gz SHCTXKQGCNKZKS-UHFFFAOYSA-N 1 0 258.431 2.248 10 0 CEAERO Cc1noc(C)c1C[NH2+][C@@H](CC(C)C)CN(C)C ZINC000037167219 173001123 /nfs/dbraw/zinc/00/11/23/173001123.db2.gz SKJMPPUIQOENGU-ZDUSSCGKSA-N 1 0 253.390 2.357 10 0 CEAERO C[C@@H]([NH2+][C@H]1CCCc2c1cnn2CCO)C1(C)CC1 ZINC000037169255 173003783 /nfs/dbraw/zinc/00/37/83/173003783.db2.gz XURJVCZVWQKBKK-YPMHNXCESA-N 1 0 263.385 2.031 10 0 CEAERO CN([C@@H](C[NH3+])c1ccc(F)c(F)c1)[C@@H]1CCSC1 ZINC000037174468 173008642 /nfs/dbraw/zinc/00/86/42/173008642.db2.gz VAZFEXPHGNVKFB-MFKMUULPSA-N 1 0 272.364 2.402 10 0 CEAERO Cc1ccc([C@H](C[NH3+])N2CCOC(C)(C)C2)cc1C ZINC000037180175 173012759 /nfs/dbraw/zinc/01/27/59/173012759.db2.gz KNQVHZJNROAMIH-HNNXBMFYSA-N 1 0 262.397 2.414 10 0 CEAERO CCC[NH2+]Cc1ccc(I)o1 ZINC000037184357 173016724 /nfs/dbraw/zinc/01/67/24/173016724.db2.gz BPSDQTFBJVYUHH-UHFFFAOYSA-N 1 0 265.094 2.384 10 0 CEAERO CNC(=O)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000037207594 173029008 /nfs/dbraw/zinc/02/90/08/173029008.db2.gz NGQLQKFXQGWUKT-ZETCQYMHSA-N 1 0 261.152 2.390 10 0 CEAERO CC[NH2+][C@@H](C)c1cccc(OCC(=O)N(C)CC)c1 ZINC000037223122 173043839 /nfs/dbraw/zinc/04/38/39/173043839.db2.gz CQJHBPCPLDNORH-LBPRGKRZSA-N 1 0 264.369 2.214 10 0 CEAERO CC(C)(C)OC(=O)N[C@H](C[NH3+])c1cc(F)ccc1F ZINC000037228270 173047970 /nfs/dbraw/zinc/04/79/70/173047970.db2.gz QTPBOOVRMRCRTN-LLVKDONJSA-N 1 0 272.295 2.489 10 0 CEAERO Cc1nc2sccn2c1C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000037242343 173059145 /nfs/dbraw/zinc/05/91/45/173059145.db2.gz SMHVBCFZXHLEAV-PWSUYJOCSA-N 1 0 265.382 2.361 10 0 CEAERO C[C@H]([NH2+][C@H]1CSCc2ccccc21)C(=O)N(C)C ZINC000037268224 173078909 /nfs/dbraw/zinc/07/89/09/173078909.db2.gz PDSRXMSPXRPSND-GWCFXTLKSA-N 1 0 264.394 2.041 10 0 CEAERO CC(C)=CCN1CCC([NH2+]C2CCOCC2)CC1 ZINC000037269626 173080904 /nfs/dbraw/zinc/08/09/04/173080904.db2.gz CRGQPNMQRNGUSJ-UHFFFAOYSA-N 1 0 252.402 2.186 10 0 CEAERO CC[C@@H](C)C[N@H+](C)CC(=O)Nc1ccc(C)c(N)c1 ZINC000037273552 173085790 /nfs/dbraw/zinc/08/57/90/173085790.db2.gz XCLVEQRIQSJTCP-LLVKDONJSA-N 1 0 263.385 2.494 10 0 CEAERO O=C(c1cnn(-c2ccccc2)c1)C1CC[NH2+]CC1 ZINC000037308897 173111881 /nfs/dbraw/zinc/11/18/81/173111881.db2.gz QNAQQLAHDCEWMS-UHFFFAOYSA-N 1 0 255.321 2.055 10 0 CEAERO CCCn1c2ccccc2nc1[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000037323595 173124587 /nfs/dbraw/zinc/12/45/87/173124587.db2.gz PNBRCDTVTTVGHH-DGCLKSJQSA-N 1 0 259.353 2.496 10 0 CEAERO CCOc1ccc(NC(=O)C[NH2+][C@H](C)CC)cc1 ZINC000037386433 173169538 /nfs/dbraw/zinc/16/95/38/173169538.db2.gz JDDWNZQLHGDRNB-LLVKDONJSA-N 1 0 250.342 2.412 10 0 CEAERO O=C(C[NH2+]C1CCCC1)Nc1ccc2c(c1)OCCCO2 ZINC000037386794 173170417 /nfs/dbraw/zinc/17/04/17/173170417.db2.gz QTMTYKYSTZYBBQ-UHFFFAOYSA-N 1 0 290.363 2.319 10 0 CEAERO CCCOc1ccc(C[NH2+]CC(OC)OC)cc1 ZINC000037388327 173171414 /nfs/dbraw/zinc/17/14/14/173171414.db2.gz SBKBLFJAACXWQW-UHFFFAOYSA-N 1 0 253.342 2.184 10 0 CEAERO CC(C)[NH2+]CC(=O)N[C@H]1CCCC[C@H]1C(F)(F)F ZINC000037396012 173177010 /nfs/dbraw/zinc/17/70/10/173177010.db2.gz YJERMZBRVBZUQF-ZJUUUORDSA-N 1 0 266.307 2.222 10 0 CEAERO O[C@@H]1CCCC[C@@H]1[NH+]1CCN(Cc2ccccc2)CC1 ZINC000037490605 173232381 /nfs/dbraw/zinc/23/23/81/173232381.db2.gz RHZYYYBROVMBMN-DLBZAZTESA-N 1 0 274.408 2.108 10 0 CEAERO CCN(C(=O)c1cc(Cl)ccc1O)C1CC[NH2+]CC1 ZINC000037537387 173257038 /nfs/dbraw/zinc/25/70/38/173257038.db2.gz XTWVRDCVRBIUID-UHFFFAOYSA-N 1 0 282.771 2.260 10 0 CEAERO CCN(C(=O)Cc1ccccc1C)[C@@H]1CCC[NH2+]C1 ZINC000037541044 173262860 /nfs/dbraw/zinc/26/28/60/173262860.db2.gz OQTLHAIXOQOFOH-OAHLLOKOSA-N 1 0 260.381 2.138 10 0 CEAERO CCCN(C(=O)c1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000037541618 173263924 /nfs/dbraw/zinc/26/39/24/173263924.db2.gz QFJJTDJKCWACKG-CQSZACIVSA-N 1 0 264.344 2.430 10 0 CEAERO Cc1ccccc1CN(C)C(=O)C1CCC([NH3+])CC1 ZINC000037626320 173576390 /nfs/dbraw/zinc/57/63/90/173576390.db2.gz AIJOVCUWWODEJB-UHFFFAOYSA-N 1 0 260.381 2.471 10 0 CEAERO CC[C@H]([NH3+])Cc1cc(OC)ccc1OCCOC ZINC000037722818 173641303 /nfs/dbraw/zinc/64/13/03/173641303.db2.gz YDXKWPPGTDGGOE-LBPRGKRZSA-N 1 0 253.342 2.000 10 0 CEAERO CC[C@H]([NH3+])Cc1cccc(OCc2nc(C)no2)c1 ZINC000037726898 173645374 /nfs/dbraw/zinc/64/53/74/173645374.db2.gz PUVZOMZZQYARFN-LBPRGKRZSA-N 1 0 261.325 2.237 10 0 CEAERO C[C@H](NC(=O)CC[NH2+]C1CC1)c1ccccc1F ZINC000037764275 173691324 /nfs/dbraw/zinc/69/13/24/173691324.db2.gz RBYORTZSBBUJKP-JTQLQIEISA-N 1 0 250.317 2.145 10 0 CEAERO CC(C)CN(CC(F)(F)F)C(=O)[C@H]1CCC[NH2+]C1 ZINC000037813257 173759990 /nfs/dbraw/zinc/75/99/90/173759990.db2.gz CDCIEXLMLYVQSC-JTQLQIEISA-N 1 0 266.307 2.033 10 0 CEAERO C[C@H](c1ccncc1)N(C)C(=O)C[NH2+]C1CCCC1 ZINC000037824008 173778756 /nfs/dbraw/zinc/77/87/56/173778756.db2.gz BTGFQYLQYZRCTH-GFCCVEGCSA-N 1 0 261.369 2.133 10 0 CEAERO CCCCCC[C@@](C)(C(=O)OC)N1CCC[NH2+]CC1 ZINC000037959481 173903745 /nfs/dbraw/zinc/90/37/45/173903745.db2.gz VSFLIKQHBTURQJ-HNNXBMFYSA-N 1 0 270.417 2.184 10 0 CEAERO C[C@]([NH2+]C1CCCCC1)(C(N)=O)c1ccc2c(c1)OCO2 ZINC000037971038 173921776 /nfs/dbraw/zinc/92/17/76/173921776.db2.gz LYDRKKHEHPWEQI-MRXNPFEDSA-N 1 0 290.363 2.038 10 0 CEAERO C[N@H+]1[C@@H]2CC[C@H]1CC(CNC(=O)CNc1ccccc1)C2 ZINC000038019374 173995862 /nfs/dbraw/zinc/99/58/62/173995862.db2.gz YNBGNMRQNPIXSU-VHRNVKJDSA-N 1 0 287.407 2.088 10 0 CEAERO C[C@H](C[NH2+][C@@H]1COc2cc(O)ccc21)N1CCCCC1 ZINC000038028603 174017716 /nfs/dbraw/zinc/01/77/16/174017716.db2.gz TZYSAVQNJSUYBR-IUODEOHRSA-N 1 0 276.380 2.290 10 0 CEAERO CCOc1ccc(NC2CC[NH2+]CC2)cc1OC ZINC000038041155 174042141 /nfs/dbraw/zinc/04/21/41/174042141.db2.gz XWAGMZXQEWYSMA-UHFFFAOYSA-N 1 0 250.342 2.258 10 0 CEAERO O[C@@H](C[NH2+]C[C@@H]1CCCOC1)COc1ccc(Cl)cc1 ZINC000038045357 174054133 /nfs/dbraw/zinc/05/41/33/174054133.db2.gz VVGJQHRIQKTBLE-JSGCOSHPSA-N 1 0 299.798 2.096 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)Cc1c(F)cccc1Cl ZINC000038048745 174059237 /nfs/dbraw/zinc/05/92/37/174059237.db2.gz VCXYZCNDCNZQRE-STQMWFEESA-N 1 0 284.762 2.408 10 0 CEAERO NC(=[NH2+])c1cnc2ccccc2c1-n1cc(Cl)cn1 ZINC000038053605 174065167 /nfs/dbraw/zinc/06/51/67/174065167.db2.gz OGAHTSYPGFCKER-UHFFFAOYSA-N 1 0 271.711 2.358 10 0 CEAERO COc1ccc([C@@H](O)C[NH2+]CCc2ccco2)cc1 ZINC000038059477 174069653 /nfs/dbraw/zinc/06/96/53/174069653.db2.gz GTALWDKZAHXFMQ-HNNXBMFYSA-N 1 0 261.321 2.154 10 0 CEAERO CC[C@@H](C)[NH2+][C@](CC)(C(N)=O)c1ccc(F)cc1 ZINC000038065508 174075909 /nfs/dbraw/zinc/07/59/09/174075909.db2.gz DCBUZVZBPJKZBY-YGRLFVJLSA-N 1 0 252.333 2.304 10 0 CEAERO CC(C)[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1cccs1 ZINC000038083431 174093040 /nfs/dbraw/zinc/09/30/40/174093040.db2.gz YFRLEHGDQXYXNC-DGCLKSJQSA-N 1 0 287.450 2.470 10 0 CEAERO C[C@@H]1c2ccsc2CCN1C(=O)[C@H]1CCCC[NH2+]1 ZINC000038100815 174115600 /nfs/dbraw/zinc/11/56/00/174115600.db2.gz SANQQWAREVLCPH-ZYHUDNBSSA-N 1 0 264.394 2.336 10 0 CEAERO CC(C)c1ccc([C@@H](CO)N2CCC[NH2+]CC2)cc1 ZINC000038117451 174127301 /nfs/dbraw/zinc/12/73/01/174127301.db2.gz WBYKYIPRACIOON-MRXNPFEDSA-N 1 0 262.397 2.139 10 0 CEAERO C[NH2+]C[C@H](c1cc(OC)ccc1OC)N1CCCC1 ZINC000039795622 174173469 /nfs/dbraw/zinc/17/34/69/174173469.db2.gz FHZLPWYZXDFMKE-CQSZACIVSA-N 1 0 264.369 2.060 10 0 CEAERO COC(=O)c1ccccc1CN1CC[NH2+][C@H](CC(C)C)C1 ZINC000039952543 174176959 /nfs/dbraw/zinc/17/69/59/174176959.db2.gz OPNGWKTUQOLWCB-OAHLLOKOSA-N 1 0 290.407 2.293 10 0 CEAERO CCOCCn1c2ccccc2nc1[C@H]1CCC[NH2+]1 ZINC000040163812 174196711 /nfs/dbraw/zinc/19/67/11/174196711.db2.gz RBYSGEFICHPXRL-CYBMUJFWSA-N 1 0 259.353 2.497 10 0 CEAERO c1nc(C[C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c[nH]1 ZINC000040431084 174259883 /nfs/dbraw/zinc/25/98/83/174259883.db2.gz SLFMYESZZPZJHF-CQSZACIVSA-N 1 0 252.321 2.321 10 0 CEAERO COc1ccc([C@@H](C)NC(=O)[C@@H]([NH3+])CC(C)C)cc1OC ZINC000040491245 174292212 /nfs/dbraw/zinc/29/22/12/174292212.db2.gz DWENHOSOFFVQCX-YPMHNXCESA-N 1 0 294.395 2.254 10 0 CEAERO COc1ccc([C@@H](C)NC(=O)[C@@](C)([NH3+])C2CC2)cc1OC ZINC000040491288 174292364 /nfs/dbraw/zinc/29/23/64/174292364.db2.gz LUAGOTWCZHEYAT-HWPZZCPQSA-N 1 0 292.379 2.008 10 0 CEAERO CC[C@H](C)NC(=O)C[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000040491152 174292472 /nfs/dbraw/zinc/29/24/72/174292472.db2.gz AVFFMPPZIVWXLN-NWDGAFQWSA-N 1 0 294.395 2.269 10 0 CEAERO CCN1CCC[C@@H]([NH2+]Cc2cnc3ccccc3n2)C1 ZINC000040502836 174298828 /nfs/dbraw/zinc/29/88/28/174298828.db2.gz IHLYQEPBWLDOBO-CYBMUJFWSA-N 1 0 270.380 2.204 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)CCCN3)C1 ZINC000040503631 174300373 /nfs/dbraw/zinc/30/03/73/174300373.db2.gz HIBNGKGVVDNGLZ-HNNXBMFYSA-N 1 0 287.407 2.259 10 0 CEAERO Cc1nc(C)c([C@@H](C)NC(=O)CCCCC[NH3+])s1 ZINC000040519044 174308527 /nfs/dbraw/zinc/30/85/27/174308527.db2.gz AGEWJBRXVMYTSY-SNVBAGLBSA-N 1 0 269.414 2.456 10 0 CEAERO Cc1nc(C)c([C@@H](C)[NH2+]CC(=O)N2CCCC2)s1 ZINC000040518802 174308777 /nfs/dbraw/zinc/30/87/77/174308777.db2.gz NOOCJJGTTZRHNH-SECBINFHSA-N 1 0 267.398 2.033 10 0 CEAERO Cc1cccc(N)c1C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000040620439 174354773 /nfs/dbraw/zinc/35/47/73/174354773.db2.gz OVVLFKNGWFVDTP-ZDUSSCGKSA-N 1 0 275.396 2.037 10 0 CEAERO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(N)c(F)cc2F)C1 ZINC000040620608 174355214 /nfs/dbraw/zinc/35/52/14/174355214.db2.gz NGBPTEHDNLMCSA-JTQLQIEISA-N 1 0 297.349 2.007 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000040629899 174357772 /nfs/dbraw/zinc/35/77/72/174357772.db2.gz MRYBSHBHHUISQN-LDYMZIIASA-N 1 0 288.269 2.021 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000040635210 174361101 /nfs/dbraw/zinc/36/11/01/174361101.db2.gz XKXWJEHHIONAHJ-BPNCWPANSA-N 1 0 296.798 2.236 10 0 CEAERO CO[C@@H]1C[NH2+][C@@H](c2nc(-c3ccc(F)cc3F)c[nH]2)C1 ZINC000040637852 174361919 /nfs/dbraw/zinc/36/19/19/174361919.db2.gz SAEMIBPLOBOQGZ-JOYOIKCWSA-N 1 0 279.290 2.404 10 0 CEAERO Cn1ccnc1CC[NH2+]Cc1cc(F)ccc1F ZINC000040639036 174363116 /nfs/dbraw/zinc/36/31/16/174363116.db2.gz FAFGQWRSYYJABS-UHFFFAOYSA-N 1 0 251.280 2.031 10 0 CEAERO C[NH+](C)C(C)(C)CNC(=O)NCc1cccc(Cl)c1 ZINC000040654733 174365226 /nfs/dbraw/zinc/36/52/26/174365226.db2.gz RSRDZXGTCRQWNZ-UHFFFAOYSA-N 1 0 283.803 2.479 10 0 CEAERO C[C@@H]1CCC[C@](CNc2ncnc3nc[nH]c32)([NH+](C)C)C1 ZINC000040670087 174368491 /nfs/dbraw/zinc/36/84/91/174368491.db2.gz UWRCHWZQBAKKEC-ABAIWWIYSA-N 1 0 288.399 2.275 10 0 CEAERO C[C@@H]1CCC[C@](CNCC(=O)N2CCCCC2)([NH+](C)C)C1 ZINC000040669795 174368555 /nfs/dbraw/zinc/36/85/55/174368555.db2.gz JLUXIERYASYVBN-WBVHZDCISA-N 1 0 295.471 2.099 10 0 CEAERO CC(C)([NH2+]C1CC(c2ccc(Cl)cc2)C1)C(N)=O ZINC000040674517 174372961 /nfs/dbraw/zinc/37/29/61/174372961.db2.gz CDFDZIREPFZIEH-UHFFFAOYSA-N 1 0 266.772 2.440 10 0 CEAERO CC(C)([NH2+][C@H]1CCc2cc(Br)ccc21)C(N)=O ZINC000040674772 174373475 /nfs/dbraw/zinc/37/34/75/174373475.db2.gz QYZKKVUHJOYNJX-NSHDSACASA-N 1 0 297.196 2.290 10 0 CEAERO CCOC1CCN(C[C@H]([NH3+])c2ccccc2C)CC1 ZINC000040689256 174376007 /nfs/dbraw/zinc/37/60/07/174376007.db2.gz NKFFZFJXBWYFQY-INIZCTEOSA-N 1 0 262.397 2.496 10 0 CEAERO CCOC(=O)C1(Nc2ccccc2C)CC[NH2+]CC1 ZINC000040695302 174378147 /nfs/dbraw/zinc/37/81/47/174378147.db2.gz ZCGJKSHOCNZNIK-UHFFFAOYSA-N 1 0 262.353 2.092 10 0 CEAERO C[C@H]1CC[N@H+](CCCC(=O)Nc2ccc(F)cc2N)C1 ZINC000040716767 174384120 /nfs/dbraw/zinc/38/41/20/174384120.db2.gz SBRMTRSRESFHGP-NSHDSACASA-N 1 0 279.359 2.468 10 0 CEAERO Cc1cc(=O)n(C[C@@H]([NH3+])c2ccc(C(C)C)cc2)cn1 ZINC000040728038 174387660 /nfs/dbraw/zinc/38/76/60/174387660.db2.gz PFIRETYIDAXJFF-OAHLLOKOSA-N 1 0 271.364 2.375 10 0 CEAERO Cc1nn([C@H](C)C(=O)Nc2ccc(C[NH3+])cc2)c(C)c1C ZINC000040728957 174388224 /nfs/dbraw/zinc/38/82/24/174388224.db2.gz WFVTZHDAKNKDHW-CYBMUJFWSA-N 1 0 286.379 2.467 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)o1 ZINC000040749487 174394426 /nfs/dbraw/zinc/39/44/26/174394426.db2.gz FPAQJOOEVCKGIW-CBLAIPOGSA-N 1 0 254.717 2.027 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OC(F)F)cc1 ZINC000040749661 174394542 /nfs/dbraw/zinc/39/45/42/174394542.db2.gz RBQQMMXADWMLGI-YOGCLGLASA-N 1 0 296.317 2.382 10 0 CEAERO CN(C)Nc1[nH+]cnc(NC2CCCCCC2)c1N ZINC000040760123 174396949 /nfs/dbraw/zinc/39/69/49/174396949.db2.gz NCRGQFOHNKGLGV-UHFFFAOYSA-N 1 0 264.377 2.082 10 0 CEAERO CCc1cc(NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)ncn1 ZINC000040765194 174397780 /nfs/dbraw/zinc/39/77/80/174397780.db2.gz LZPCYCFYYLIINI-QXMXGUDHSA-N 1 0 260.385 2.324 10 0 CEAERO CC(C)c1cc(N2C[C@@H]3C[C@H]([NH3+])CC[C@@H]3C2)ncn1 ZINC000040766608 174398316 /nfs/dbraw/zinc/39/83/16/174398316.db2.gz KXTGIOCTQSRBRP-FRRDWIJNSA-N 1 0 260.385 2.164 10 0 CEAERO CC(C)C[C@H](CO)[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000040775206 174402878 /nfs/dbraw/zinc/40/28/78/174402878.db2.gz BRXARZBVKDQSMC-IAGOWNOFSA-N 1 0 276.424 2.258 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccc(OC)cc1OCCCC(=O)OC ZINC000040905524 174430882 /nfs/dbraw/zinc/43/08/82/174430882.db2.gz KFUXMUPMBJRPLJ-CYBMUJFWSA-N 1 0 295.379 2.307 10 0 CEAERO [NH3+][C@@H]1CCCN(Cc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000041029520 174454460 /nfs/dbraw/zinc/45/44/60/174454460.db2.gz GYQJEXVHSZYDTG-GFCCVEGCSA-N 1 0 292.770 2.313 10 0 CEAERO O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000071397021 414775402 /nfs/dbraw/zinc/77/54/02/414775402.db2.gz XLNBMAGRRXXYRZ-OAGGEKHMSA-N 1 0 288.391 2.023 10 0 CEAERO COc1cc(C[C@@H](C)[C@@H](C)[NH3+])cc(OC)c1OC ZINC000041323480 174520145 /nfs/dbraw/zinc/52/01/45/174520145.db2.gz ORKMAYBLJWYSIK-NXEZZACHSA-N 1 0 253.342 2.238 10 0 CEAERO Cc1cc(Cl)ccc1OCC[NH2+]CCN(C)C ZINC000041327467 174524131 /nfs/dbraw/zinc/52/41/31/174524131.db2.gz VLFJNSQLTYRCPI-UHFFFAOYSA-N 1 0 256.777 2.178 10 0 CEAERO CC[C@H]1CN(c2ccc(S(=O)(=O)CC)cc2)CC[C@@H]1[NH3+] ZINC000122922183 414790580 /nfs/dbraw/zinc/79/05/80/414790580.db2.gz LQXLWWDPHABIIE-WFASDCNBSA-N 1 0 296.436 2.044 10 0 CEAERO O=C(Cc1cccc(Br)c1)[C@@H]1CCC[NH2+]1 ZINC000041387054 174542968 /nfs/dbraw/zinc/54/29/68/174542968.db2.gz WAYFGMWRLIPIIW-NSHDSACASA-N 1 0 268.154 2.313 10 0 CEAERO O[C@@H](Cc1ccc(Br)cc1)[C@H]1CCC[NH2+]C1 ZINC000041458246 174554748 /nfs/dbraw/zinc/55/47/48/174554748.db2.gz OSKVNRDLSLEZRS-AAEUAGOBSA-N 1 0 284.197 2.352 10 0 CEAERO Cc1cccc(CCC(=O)N(C)[C@H](C[NH3+])C(F)(F)F)c1 ZINC000662980109 414816738 /nfs/dbraw/zinc/81/67/38/414816738.db2.gz ZRHMRBFWJGFZPD-GFCCVEGCSA-N 1 0 288.313 2.276 10 0 CEAERO CCc1ccsc1C(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662979307 414817663 /nfs/dbraw/zinc/81/76/63/414817663.db2.gz LCEZEFPERSTPSH-MRVPVSSYSA-N 1 0 280.315 2.272 10 0 CEAERO CN(C(=O)c1cccc(Cl)c1F)[C@@H](C[NH3+])C(F)(F)F ZINC000662984231 414819365 /nfs/dbraw/zinc/81/93/65/414819365.db2.gz IZXYOUYLFMPVBF-QMMMGPOBSA-N 1 0 298.667 2.441 10 0 CEAERO CC(C)(C)[C@@H]1C[N@H+](C[C@@H]2CCC[C@H](O)C2)CCO1 ZINC000660441581 414822726 /nfs/dbraw/zinc/82/27/26/414822726.db2.gz GHIYRESFATWVLT-RDBSUJKOSA-N 1 0 255.402 2.284 10 0 CEAERO C[C@@H]([NH3+])c1ccc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000041709052 174611698 /nfs/dbraw/zinc/61/16/98/174611698.db2.gz JXGLFLCUPBYOIN-SDDRHHMPSA-N 1 0 277.368 2.347 10 0 CEAERO CC[NH2+][C@@H](C)c1cccc(NC(=O)NCCC(=O)OC)c1 ZINC000041717951 174616421 /nfs/dbraw/zinc/61/64/21/174616421.db2.gz WURKHHGOOMJFGL-NSHDSACASA-N 1 0 293.367 2.042 10 0 CEAERO COCc1csc(C[NH2+][C@@H]2CCC[C@H](O)C2)c1 ZINC000657324759 414859971 /nfs/dbraw/zinc/85/99/71/414859971.db2.gz CVWRSEVZSHFICO-NEPJUHHUSA-N 1 0 255.383 2.288 10 0 CEAERO COCC1(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)CCC1 ZINC000311708872 414860032 /nfs/dbraw/zinc/86/00/32/414860032.db2.gz VQGILAGFFZNWBN-ZBFHGGJFSA-N 1 0 267.413 2.430 10 0 CEAERO CCc1ccc([C@H](C)NC[C@H](O)C[N@@H+](C)CC)cc1 ZINC000311453115 414860481 /nfs/dbraw/zinc/86/04/81/414860481.db2.gz JTNLBAZRFNFZHG-BBRMVZONSA-N 1 0 264.413 2.212 10 0 CEAERO C[C@H]1CCC[C@@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653067829 414894906 /nfs/dbraw/zinc/89/49/06/414894906.db2.gz MYKVBVUMIWHEKI-LNFKQOIKSA-N 1 0 278.318 2.079 10 0 CEAERO C[NH2+]C[C@@H](C)Nc1ncc(Br)cc1C ZINC000663279199 414902793 /nfs/dbraw/zinc/90/27/93/414902793.db2.gz PTZJKHPOWCDZQA-MRVPVSSYSA-N 1 0 258.163 2.172 10 0 CEAERO COCC[C@@H]([NH3+])Cc1ccccc1Br ZINC000042436487 174732022 /nfs/dbraw/zinc/73/20/22/174732022.db2.gz DNQOOPQQYUBZTG-SNVBAGLBSA-N 1 0 258.159 2.355 10 0 CEAERO CCN(C[C@@H](C)C(N)=[NH2+])c1ccc(Br)cn1 ZINC000042446623 174740631 /nfs/dbraw/zinc/74/06/31/174740631.db2.gz XGMQGICQNLYDFA-MRVPVSSYSA-N 1 0 285.189 2.242 10 0 CEAERO O=C(Nc1cc(Cl)ccn1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653346608 414991920 /nfs/dbraw/zinc/99/19/20/414991920.db2.gz AOUSFGCTGJQIRR-HTQZYQBOSA-N 1 0 293.676 2.071 10 0 CEAERO CCN(Cc1ccncc1)[C@@H](CC[NH3+])C(F)(F)F ZINC000042515226 174766680 /nfs/dbraw/zinc/76/66/80/174766680.db2.gz MCRRWAVJVJEWDF-NSHDSACASA-N 1 0 261.291 2.183 10 0 CEAERO CN1C[C@H](C[NH2+]Cc2ccccc2C2CC2)CC1=O ZINC000657695796 415051185 /nfs/dbraw/zinc/05/11/85/415051185.db2.gz DUVXYNOSTQUVGY-LBPRGKRZSA-N 1 0 258.365 2.132 10 0 CEAERO CCC[NH2+]Cc1ccccc1N(CC(N)=O)CC(C)C ZINC000042691792 174839954 /nfs/dbraw/zinc/83/99/54/174839954.db2.gz DLEZOMJTRKFMQV-UHFFFAOYSA-N 1 0 277.412 2.134 10 0 CEAERO OCC1CC([NH2+]Cc2ccccc2OC(F)F)C1 ZINC000657808593 415088126 /nfs/dbraw/zinc/08/81/26/415088126.db2.gz MVUAQUYYYWIEKZ-UHFFFAOYSA-N 1 0 257.280 2.149 10 0 CEAERO CC(C)(C)c1ncc(C[NH2+]C2CC(CO)C2)s1 ZINC000657813082 415090604 /nfs/dbraw/zinc/09/06/04/415090604.db2.gz QFFJMFDGNFORRK-UHFFFAOYSA-N 1 0 254.399 2.301 10 0 CEAERO CN(Cc1cscn1)Cc1ccc(C[NH3+])cc1F ZINC000042860498 174893620 /nfs/dbraw/zinc/89/36/20/174893620.db2.gz XKJABRYOIKGYCX-UHFFFAOYSA-N 1 0 265.357 2.373 10 0 CEAERO [NH3+]C[C@H](Sc1nnnn1-c1ccccc1)c1ccccc1 ZINC000042900386 174905121 /nfs/dbraw/zinc/90/51/21/174905121.db2.gz PXCYSADLVQHSSP-AWEZNQCLSA-N 1 0 297.387 2.454 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccc(F)cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000042912760 174911441 /nfs/dbraw/zinc/91/14/41/174911441.db2.gz VVUVOJXOWGRVRN-NWJSVONSSA-N 1 0 266.360 2.323 10 0 CEAERO Cc1cccc([C@H](Sc2nncn2C)[C@@H](C)[NH3+])c1 ZINC000042969787 174932839 /nfs/dbraw/zinc/93/28/39/174932839.db2.gz FULJVPADLVUZJG-ZYHUDNBSSA-N 1 0 262.382 2.304 10 0 CEAERO C[C@H]([NH3+])[C@H](c1cccc(Cl)c1)N1CCC(CO)CC1 ZINC000042975189 174938748 /nfs/dbraw/zinc/93/87/48/174938748.db2.gz UABAEJKIVZLTTH-XHDPSFHLSA-N 1 0 282.815 2.433 10 0 CEAERO Cc1ccccc1[C@H](Sc1nnnn1C1CC1)[C@@H](C)[NH3+] ZINC000043041047 174953528 /nfs/dbraw/zinc/95/35/28/174953528.db2.gz YLUWPTQKYQVLPG-ZWNOBZJWSA-N 1 0 289.408 2.497 10 0 CEAERO C[C@H]([NH3+])[C@H](OC1CCOCC1)c1ccccc1F ZINC000043048845 174957340 /nfs/dbraw/zinc/95/73/40/174957340.db2.gz DAAKQJPYUHJFOH-HZMBPMFUSA-N 1 0 253.317 2.410 10 0 CEAERO Cc1nc(C)n([C@H](c2ccccc2Cl)[C@@H](C)[NH3+])n1 ZINC000043053364 174961033 /nfs/dbraw/zinc/96/10/33/174961033.db2.gz PEJCFGLDXDFFTC-OQPBUACISA-N 1 0 264.760 2.485 10 0 CEAERO COc1ccccc1[C@@H](OC[C@@H]1CCCO1)[C@@H](C)[NH3+] ZINC000043099465 174967293 /nfs/dbraw/zinc/96/72/93/174967293.db2.gz ORYULRJQJPZHDO-XUJVJEKNSA-N 1 0 265.353 2.279 10 0 CEAERO COCCN([C@H](c1ccsc1)[C@@H](C)[NH3+])C1CC1 ZINC000043123604 174976408 /nfs/dbraw/zinc/97/64/08/174976408.db2.gz PWWTZDUMBSIQNS-MFKMUULPSA-N 1 0 254.399 2.247 10 0 CEAERO COC(=O)CCS[C@@H](c1ccsc1)[C@@H](C)[NH3+] ZINC000043126283 174978011 /nfs/dbraw/zinc/97/80/11/174978011.db2.gz XEZNNFAFYDBNMT-LDYMZIIASA-N 1 0 259.396 2.433 10 0 CEAERO C[C@H]([NH3+])[C@H](c1cc(Br)cs1)n1cncn1 ZINC000043287833 174997230 /nfs/dbraw/zinc/99/72/30/174997230.db2.gz KISUGEDASGFRQM-IMTBSYHQSA-N 1 0 287.186 2.039 10 0 CEAERO [NH3+][C@H](c1c(Cl)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000043300050 175001143 /nfs/dbraw/zinc/00/11/43/175001143.db2.gz BWXAKJMVYKPOHV-HQJQHLMTSA-N 1 0 294.203 2.428 10 0 CEAERO CCC[NH2+][C@H](c1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000043301219 175002177 /nfs/dbraw/zinc/00/21/77/175002177.db2.gz YHHLZJAZOFEQEU-DOMZBBRYSA-N 1 0 297.420 2.171 10 0 CEAERO Clc1cc2c(cc1N[C@H]1CCC[NH2+]C1)OCCO2 ZINC000043325774 175007521 /nfs/dbraw/zinc/00/75/21/175007521.db2.gz BVYXMKGQLNFMEC-VIFPVBQESA-N 1 0 268.744 2.275 10 0 CEAERO c1nn(Cc2ccccc2)cc1N[C@@H]1CCC[NH2+]C1 ZINC000043327287 175008537 /nfs/dbraw/zinc/00/85/37/175008537.db2.gz DLTIFFSXNFLGKG-CQSZACIVSA-N 1 0 256.353 2.095 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccco1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000043334344 175010587 /nfs/dbraw/zinc/01/05/87/175010587.db2.gz CMHYSWVWWGVJJD-KZVDOYCCSA-N 1 0 252.358 2.167 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccccn1)N(CCOC)CC(C)C ZINC000043340425 175014751 /nfs/dbraw/zinc/01/47/51/175014751.db2.gz XUKSTEDBFXXDSC-ZBFHGGJFSA-N 1 0 279.428 2.464 10 0 CEAERO CC[C@H]([NH3+])[C@H](Oc1ccccc1C(N)=O)c1ccccn1 ZINC000043342963 175015696 /nfs/dbraw/zinc/01/56/96/175015696.db2.gz UGFBHQJQKPLIOW-WFASDCNBSA-N 1 0 285.347 2.038 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1cccnc1)N(C)CCc1ccccn1 ZINC000043345943 175017020 /nfs/dbraw/zinc/01/70/20/175017020.db2.gz UHJZGJDDPJYASA-IAGOWNOFSA-N 1 0 284.407 2.430 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1cccnc1)N(C)Cc1cccnc1 ZINC000043346470 175017421 /nfs/dbraw/zinc/01/74/21/175017421.db2.gz AEYJJGJGSRMCHC-HOTGVXAUSA-N 1 0 270.380 2.387 10 0 CEAERO COCCN(CC(C)C)[C@@H](c1cccnc1)[C@@H](C)[NH3+] ZINC000043347892 175018268 /nfs/dbraw/zinc/01/82/68/175018268.db2.gz QRODICZWXOCBOA-UKRRQHHQSA-N 1 0 265.401 2.074 10 0 CEAERO [NH3+]C[C@H](Sc1nnc2n1CCCCC2)c1cccnc1 ZINC000043351923 175019524 /nfs/dbraw/zinc/01/95/24/175019524.db2.gz OVCNCLWLYOWAQT-LBPRGKRZSA-N 1 0 289.408 2.192 10 0 CEAERO [NH3+]C[C@@H](Oc1ccc(F)c(F)c1)c1cccnc1 ZINC000043351219 175019825 /nfs/dbraw/zinc/01/98/25/175019825.db2.gz GAKKDXLEIISISY-CYBMUJFWSA-N 1 0 250.248 2.439 10 0 CEAERO Cc1cc(=O)[nH]c(S[C@@H](c2cccnc2)[C@@H](C)[NH3+])n1 ZINC000043352021 175019871 /nfs/dbraw/zinc/01/98/71/175019871.db2.gz UWJCTNZSQGUTQR-BXKDBHETSA-N 1 0 276.365 2.066 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccncc1)N(C)Cc1cscn1 ZINC000043354853 175022179 /nfs/dbraw/zinc/02/21/79/175022179.db2.gz SCBDDGGDGUZZFW-UONOGXRCSA-N 1 0 276.409 2.449 10 0 CEAERO CC(=O)Nc1ccccc1O[C@@H](C[NH3+])c1ccncc1 ZINC000043355505 175023250 /nfs/dbraw/zinc/02/32/50/175023250.db2.gz VJTCAHLIIFWZLJ-HNNXBMFYSA-N 1 0 271.320 2.119 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)N1CCC(OC)CC1 ZINC000043364105 175024656 /nfs/dbraw/zinc/02/46/56/175024656.db2.gz XABACJWXVAJWCG-UKRRQHHQSA-N 1 0 266.385 2.477 10 0 CEAERO Cc1ccc([C@@H]([C@H](C)[NH3+])N(C)[C@@H]2CCSC2)o1 ZINC000043364092 175025100 /nfs/dbraw/zinc/02/51/00/175025100.db2.gz QTPMFVAMHOSKCS-DMDPSCGWSA-N 1 0 254.399 2.414 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)N(CC(N)=O)C1CCCC1 ZINC000043365105 175026182 /nfs/dbraw/zinc/02/61/82/175026182.db2.gz FIDMSUOCAGKDDX-CZUORRHYSA-N 1 0 293.411 2.096 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](OC[C@@H]1CCOC1)c1ccc(C)o1 ZINC000043367126 175027110 /nfs/dbraw/zinc/02/71/10/175027110.db2.gz QRRXCFZVSROWEA-YRGRVCCFSA-N 1 0 253.342 2.420 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1nc(N)cc(N)n1)c1ccc(C)o1 ZINC000043367712 175027848 /nfs/dbraw/zinc/02/78/48/175027848.db2.gz XBLYVUHWSKDMJQ-PELKAZGASA-N 1 0 293.396 2.113 10 0 CEAERO C[C@@H]([NH3+])[C@@H](N1CCc2sccc2C1)C(F)(F)F ZINC000043376294 175029645 /nfs/dbraw/zinc/02/96/45/175029645.db2.gz JEZCIYQBGZZIOP-GMSGAONNSA-N 1 0 264.316 2.384 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](N(CCOC)[C@@H](C)C1CC1)C(F)(F)F ZINC000043379147 175030963 /nfs/dbraw/zinc/03/09/63/175030963.db2.gz SDESHWLEFVHVSR-MVWJERBFSA-N 1 0 282.350 2.402 10 0 CEAERO CC[C@H]([NH3+])[C@@H](n1nnc(-c2ccccc2)n1)C(F)(F)F ZINC000043383029 175031133 /nfs/dbraw/zinc/03/11/33/175031133.db2.gz NGKQMVBYSVCSRL-VHSXEESVSA-N 1 0 285.273 2.181 10 0 CEAERO CC(C)C[NH2+][C@H](C(N)=O)c1ccc(Cl)c(F)c1 ZINC000043390875 175033529 /nfs/dbraw/zinc/03/35/29/175033529.db2.gz KRDRBJWNOHNNBH-NSHDSACASA-N 1 0 258.724 2.251 10 0 CEAERO OC[C@@H]([NH2+]C[C@@H]1CCCO1)c1ccc(Cl)c(F)c1 ZINC000043391479 175034504 /nfs/dbraw/zinc/03/45/04/175034504.db2.gz WHDJQHYGRHGBTG-GXFFZTMASA-N 1 0 273.735 2.281 10 0 CEAERO CCN(Cc1ccncc1)c1nc(C)ccc1C[NH3+] ZINC000043395874 175035411 /nfs/dbraw/zinc/03/54/11/175035411.db2.gz UQQOOLBXKSRCJS-UHFFFAOYSA-N 1 0 256.353 2.270 10 0 CEAERO Cc1ccc(C[NH3+])c(OCc2ccc3c(c2)OCO3)n1 ZINC000043396285 175036487 /nfs/dbraw/zinc/03/64/87/175036487.db2.gz LRSCREPCKSEVPA-UHFFFAOYSA-N 1 0 272.304 2.156 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2CCC[C@@H]1N1CCOCC1 ZINC000043808222 175109035 /nfs/dbraw/zinc/10/90/35/175109035.db2.gz XFZIQHIYMWTHAB-IRXDYDNUSA-N 1 0 274.408 2.374 10 0 CEAERO C[NH2+][C@@H](CN(C)C(C)C)c1ccc(OC)cc1OC ZINC000043813033 175111101 /nfs/dbraw/zinc/11/11/01/175111101.db2.gz JQJUKQJBTHUIRZ-AWEZNQCLSA-N 1 0 266.385 2.305 10 0 CEAERO CC[NH2+][C@@H]1CCC2(C[C@H]1N1CCCCCC1)OCCO2 ZINC000043812221 175111299 /nfs/dbraw/zinc/11/12/99/175111299.db2.gz VSUDZEXNMLIKSM-HUUCEWRRSA-N 1 0 282.428 2.136 10 0 CEAERO CC[NH2+][C@@H](CN(C)CC)c1ccc(OC)cc1OC ZINC000043820283 175113596 /nfs/dbraw/zinc/11/35/96/175113596.db2.gz QPUYKXXWSBSWIF-AWEZNQCLSA-N 1 0 266.385 2.306 10 0 CEAERO CCN(C[C@H]([NH2+]C)c1ccc2c(c1)OCCO2)C1CC1 ZINC000043821376 175114450 /nfs/dbraw/zinc/11/44/50/175114450.db2.gz FRVVYAQHMBJCNM-AWEZNQCLSA-N 1 0 276.380 2.203 10 0 CEAERO CC[NH2+][C@H](CN(C)C1CC1)c1ccc(OC)cc1OC ZINC000043823006 175114756 /nfs/dbraw/zinc/11/47/56/175114756.db2.gz WIIKULFGPQADRI-OAHLLOKOSA-N 1 0 278.396 2.449 10 0 CEAERO CCCN(C)C[C@@H]([NH2+]CC)c1ccc2c(c1)OCCO2 ZINC000043886108 175116674 /nfs/dbraw/zinc/11/66/74/175116674.db2.gz VDQOEOFROSUUEP-CQSZACIVSA-N 1 0 278.396 2.450 10 0 CEAERO CCCN(C)C[C@H]([NH2+]CC)c1ccc2c(c1)OCO2 ZINC000043886095 175116919 /nfs/dbraw/zinc/11/69/19/175116919.db2.gz UVPTWLZKVJGMPK-ZDUSSCGKSA-N 1 0 264.369 2.408 10 0 CEAERO CCOc1ccc([C@H](CN2CCC(OC)CC2)[NH2+]C)cc1 ZINC000043889989 175117438 /nfs/dbraw/zinc/11/74/38/175117438.db2.gz STZJSDNXDPNERD-KRWDZBQOSA-N 1 0 292.423 2.457 10 0 CEAERO CCC[NH2+][C@H]1CCC2(C[C@@H]1N(C)CC(C)C)OCCO2 ZINC000043887109 175117773 /nfs/dbraw/zinc/11/77/73/175117773.db2.gz PSUREDJIZWGWBO-GJZGRUSLSA-N 1 0 284.444 2.238 10 0 CEAERO C[NH2+][C@H](c1ccc(OC)cc1)[C@H](C)N1CCOC[C@@H]1C ZINC000043891155 175118243 /nfs/dbraw/zinc/11/82/43/175118243.db2.gz PVFAWFSAKDUCJD-XEZPLFJOSA-N 1 0 278.396 2.065 10 0 CEAERO CCC[NH2+][C@H]1CCCC[C@H]1N1CCC(OC)CC1 ZINC000043890422 175118342 /nfs/dbraw/zinc/11/83/42/175118342.db2.gz WHGKCFNODOERSW-LSDHHAIUSA-N 1 0 254.418 2.408 10 0 CEAERO CCC[NH2+][C@H]1c2ccccc2C[C@@H]1N1CCOC[C@@H]1C ZINC000043891823 175118668 /nfs/dbraw/zinc/11/86/68/175118668.db2.gz ALDQNSSGSXJROF-JQFCIGGWSA-N 1 0 274.408 2.373 10 0 CEAERO C[NH2+][C@H]1c2ccccc2CC[C@H]1N1CCOC(C)(C)C1 ZINC000043897755 175120357 /nfs/dbraw/zinc/12/03/57/175120357.db2.gz JUMSVRAYQUWBHN-CVEARBPZSA-N 1 0 274.408 2.373 10 0 CEAERO CCC[NH2+][C@H]1CCCC[C@@H]1N(C)C1CCOCC1 ZINC000043898753 175121465 /nfs/dbraw/zinc/12/14/65/175121465.db2.gz ABHBCHKYJPMHCW-GJZGRUSLSA-N 1 0 254.418 2.408 10 0 CEAERO CCOC1CCN([C@@H]2C[C@H](C)CC[C@@H]2[NH2+]C)CC1 ZINC000043906887 175122655 /nfs/dbraw/zinc/12/26/55/175122655.db2.gz ZZZWKXNVKUFMMP-VHDGCEQUSA-N 1 0 254.418 2.264 10 0 CEAERO CC[NH2+][C@@H]1CCCC[C@H]1N1CCC(OCC)CC1 ZINC000043907419 175123287 /nfs/dbraw/zinc/12/32/87/175123287.db2.gz WLCPKPSGXISEPN-HUUCEWRRSA-N 1 0 254.418 2.408 10 0 CEAERO CCC[NH2+][C@H](CN(C)CCOC)c1cccc(OC)c1 ZINC000043916325 175124790 /nfs/dbraw/zinc/12/47/90/175124790.db2.gz IMQHNBDUARNZQR-MRXNPFEDSA-N 1 0 280.412 2.314 10 0 CEAERO C[NH2+][C@H](CN(C)CCOC)c1cc(C)ccc1C ZINC000043915438 175125056 /nfs/dbraw/zinc/12/50/56/175125056.db2.gz UFYRPDQRXVFNQF-OAHLLOKOSA-N 1 0 250.386 2.142 10 0 CEAERO CCOc1ccc([C@@H](CN2CCOCC2(C)C)[NH2+]C)cc1 ZINC000043916722 175125868 /nfs/dbraw/zinc/12/58/68/175125868.db2.gz BOABBSRYKASDLN-MRXNPFEDSA-N 1 0 292.423 2.457 10 0 CEAERO CC[NH2+][C@@H](CN(C)C[C@@H]1CCCO1)c1ccc(OC)cc1 ZINC000043966093 175127011 /nfs/dbraw/zinc/12/70/11/175127011.db2.gz MXIRCVNBLAEJJB-IRXDYDNUSA-N 1 0 292.423 2.457 10 0 CEAERO C[NH2+][C@H](CN(C)C[C@@H]1CCCCO1)c1ccccc1 ZINC000043966340 175127836 /nfs/dbraw/zinc/12/78/36/175127836.db2.gz JQVRQGMTOVQQTA-JKSUJKDBSA-N 1 0 262.397 2.448 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2C[C@H]1N(C)Cc1cnn(C)c1 ZINC000043967259 175128430 /nfs/dbraw/zinc/12/84/30/175128430.db2.gz XQAMVTPXSZKHKU-IAGOWNOFSA-N 1 0 284.407 2.127 10 0 CEAERO CCC[NH2+][C@@H]1CCCC[C@H]1N(C)Cc1cnn(C)c1 ZINC000043967323 175128694 /nfs/dbraw/zinc/12/86/94/175128694.db2.gz PZTQQLOSSMHVQQ-HUUCEWRRSA-N 1 0 264.417 2.163 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2OC[C@@H]1N(C)[C@@H](C)COC ZINC000043969317 175130351 /nfs/dbraw/zinc/13/03/51/175130351.db2.gz RLHMJWQZQRIFSQ-DUVNUKRYSA-N 1 0 278.396 2.065 10 0 CEAERO CCC[NH2+][C@@H]1CCC[C@@H]1N1CCC[C@H](OCC)C1 ZINC000043971745 175132576 /nfs/dbraw/zinc/13/25/76/175132576.db2.gz YINVGIJPOVDYLA-ZNMIVQPWSA-N 1 0 254.418 2.408 10 0 CEAERO [NH3+][C@@H]1CCCc2cc(OCC(=O)N3CCCC3)ccc21 ZINC000044745012 175241445 /nfs/dbraw/zinc/24/14/45/175241445.db2.gz WILMTADVNLXYIP-OAHLLOKOSA-N 1 0 274.364 2.024 10 0 CEAERO [NH3+][C@H]1CCCc2cc(OCC(=O)N3CCCCC3)ccc21 ZINC000044744983 175241453 /nfs/dbraw/zinc/24/14/53/175241453.db2.gz MSJXKGDVOQBEON-INIZCTEOSA-N 1 0 288.391 2.414 10 0 CEAERO CCC[NH2+][C@H]1CCCc2cc(OCCOCCO)ccc21 ZINC000044745702 175241943 /nfs/dbraw/zinc/24/19/43/175241943.db2.gz FTTJSUWCIZNIIV-KRWDZBQOSA-N 1 0 293.407 2.451 10 0 CEAERO COCCOCCC[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000044746930 175242602 /nfs/dbraw/zinc/24/26/02/175242602.db2.gz FQAJTENPVZGDFF-MRXNPFEDSA-N 1 0 279.380 2.412 10 0 CEAERO Cc1cc(N)ccc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000044748849 175243895 /nfs/dbraw/zinc/24/38/95/175243895.db2.gz QGYUKFBUIHYZDY-OAHLLOKOSA-N 1 0 287.407 2.278 10 0 CEAERO CCCO[C@H]1CCCN(C(=O)C2(C[NH3+])CCCCC2)C1 ZINC000044763999 175247886 /nfs/dbraw/zinc/24/78/86/175247886.db2.gz KZXNOJRSGHHENV-AWEZNQCLSA-N 1 0 282.428 2.313 10 0 CEAERO [NH3+]CC1(C(=O)N2CCO[C@H]3CCCC[C@@H]32)CCCCC1 ZINC000044764344 175248693 /nfs/dbraw/zinc/24/86/93/175248693.db2.gz YQXRMPGLMGFRMU-KBPBESRZSA-N 1 0 280.412 2.066 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)Nc1cc(C)ccc1OC ZINC000044798885 175255173 /nfs/dbraw/zinc/25/51/73/175255173.db2.gz NLYGAANDGYSYDL-NSHDSACASA-N 1 0 250.342 2.317 10 0 CEAERO CC[C@H](C[NH3+])C(=O)Nc1ccccc1OC(F)F ZINC000044800143 175255659 /nfs/dbraw/zinc/25/56/59/175255659.db2.gz ZRRREZKEAHPSCQ-MRVPVSSYSA-N 1 0 258.268 2.211 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)Nc1ccc(OC)c(C)c1 ZINC000044806387 175256442 /nfs/dbraw/zinc/25/64/42/175256442.db2.gz ZHLDQQBFCIGAJT-LLVKDONJSA-N 1 0 250.342 2.317 10 0 CEAERO CCN(C[C@@H]1C[C@H](OC)C[NH2+]1)c1cccc(F)c1 ZINC000044881213 175269427 /nfs/dbraw/zinc/26/94/27/175269427.db2.gz DMUSZUHDSZILMN-JSGCOSHPSA-N 1 0 252.333 2.029 10 0 CEAERO CCCC1N=NC(=S)N1C[C@H](C)[NH+]1CCCCC1 ZINC000045005113 175288342 /nfs/dbraw/zinc/28/83/42/175288342.db2.gz RUWNIHUAWYJUOA-NSHDSACASA-N 1 0 268.430 2.394 10 0 CEAERO C[C@@H](CNc1cncc(Cl)n1)[NH+]1CCCCC1 ZINC000045014499 175291220 /nfs/dbraw/zinc/29/12/20/175291220.db2.gz VOACPYNCBJUDKY-JTQLQIEISA-N 1 0 254.765 2.416 10 0 CEAERO COCC[C@@H](C)[NH2+][C@H](CC(=O)OC)c1cccs1 ZINC000045023379 175292479 /nfs/dbraw/zinc/29/24/79/175292479.db2.gz DIRFMWGKSQKCHL-GHMZBOCLSA-N 1 0 271.382 2.367 10 0 CEAERO COCC[C@](C)(C[NH3+])N(C)Cc1cccc(F)c1 ZINC000045043140 175295105 /nfs/dbraw/zinc/29/51/05/175295105.db2.gz HDVVVBSBDAVKRT-CQSZACIVSA-N 1 0 254.349 2.011 10 0 CEAERO CC(C)OCCOC[C@H](O)C[NH2+]C1(C)CCCCC1 ZINC000045045357 175296188 /nfs/dbraw/zinc/29/61/88/175296188.db2.gz CUDMYADOZXAWPR-CQSZACIVSA-N 1 0 273.417 2.101 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1cnn(C)c1)n1ccnc1-c1cccs1 ZINC000045047762 175297173 /nfs/dbraw/zinc/29/71/73/175297173.db2.gz BZEKPOSUICCTSI-ZWNOBZJWSA-N 1 0 287.392 2.282 10 0 CEAERO CCC[N@H+](CC(N)=S)Cc1ccccc1OC ZINC000045093606 175307095 /nfs/dbraw/zinc/30/70/95/175307095.db2.gz OGHPSXKNRQCBHI-UHFFFAOYSA-N 1 0 252.383 2.193 10 0 CEAERO CCCC1N=NC(=S)N1C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000045135877 175313618 /nfs/dbraw/zinc/31/36/18/175313618.db2.gz LCXKIYOIIPSNKZ-NSHDSACASA-N 1 0 268.430 2.250 10 0 CEAERO CC(C)[N@@H+]1CC[C@H](CNc2nsnc2Cl)C1 ZINC000045140367 175315612 /nfs/dbraw/zinc/31/56/12/175315612.db2.gz MYSSVPQCKCSLME-MRVPVSSYSA-N 1 0 260.794 2.334 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]CCN2CCCC2)c1C ZINC000045168257 175319244 /nfs/dbraw/zinc/31/92/44/175319244.db2.gz JXXZWRUODQOZOB-GFCCVEGCSA-N 1 0 264.417 2.266 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]C[C@H]1CCCCO1 ZINC000045172619 175321983 /nfs/dbraw/zinc/32/19/83/175321983.db2.gz KINCGSZUYRTUQD-ZWNOBZJWSA-N 1 0 251.374 2.257 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+][C@H]2CCN(C3CC3)C2)c1C ZINC000045172782 175322081 /nfs/dbraw/zinc/32/20/81/175322081.db2.gz QJLGGUQMFLZATF-FZMZJTMJSA-N 1 0 276.428 2.407 10 0 CEAERO CCn1nc(C)c([C@H](C)N2CCCC[C@@H]2C[NH3+])c1C ZINC000045173315 175322172 /nfs/dbraw/zinc/32/21/72/175322172.db2.gz QZISSQFGHGFCEG-GXTWGEPZSA-N 1 0 264.417 2.394 10 0 CEAERO CCCC[N@H+](C)C[C@@](NCC)(C(=O)OC)c1ccccc1 ZINC000045221927 175331031 /nfs/dbraw/zinc/33/10/31/175331031.db2.gz KLVNYNJPEZQCQZ-KRWDZBQOSA-N 1 0 292.423 2.396 10 0 CEAERO CCCC[N@H+](CC)CC[C@@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045223353 175331134 /nfs/dbraw/zinc/33/11/34/175331134.db2.gz UGJVNUGFPRDLSA-CQSZACIVSA-N 1 0 258.406 2.340 10 0 CEAERO CCCC[N@H+](CC)CC[C@](C)(NCC)C(=O)OC ZINC000045223388 175331624 /nfs/dbraw/zinc/33/16/24/175331624.db2.gz CZIAVIMMJVOQJM-AWEZNQCLSA-N 1 0 258.406 2.040 10 0 CEAERO CCN[C@](C)(CCN1CCc2ccccc21)C(=O)OCC ZINC000045224338 175331912 /nfs/dbraw/zinc/33/19/12/175331912.db2.gz UEWWNUWEALBFES-QGZVFWFLSA-N 1 0 290.407 2.371 10 0 CEAERO CCN[C@@](C)(CC[N@@H+]1CCCC[C@@H]1C)C(=O)OCC ZINC000045227087 175333401 /nfs/dbraw/zinc/33/34/01/175333401.db2.gz NIUKCZJDSXODCD-ZFWWWQNUSA-N 1 0 270.417 2.182 10 0 CEAERO CC(C)[NH2+][C@](C)(CC[N@H+](C)C1CCCCC1)C(=O)[O-] ZINC000045231234 175334772 /nfs/dbraw/zinc/33/47/72/175334772.db2.gz XBMBCVZZZDPIBA-OAHLLOKOSA-N 1 0 270.417 2.482 10 0 CEAERO CCC[N@H+](CC[C@@](C)([NH2+]C(C)C)C(=O)[O-])C(C)C ZINC000045266878 175338826 /nfs/dbraw/zinc/33/88/26/175338826.db2.gz VAOONVSKIHTGNZ-CQSZACIVSA-N 1 0 258.406 2.338 10 0 CEAERO CCC[N@H+](C[C@@](C)(NC(C)C)C(=O)OC)C(C)C ZINC000045266823 175339399 /nfs/dbraw/zinc/33/93/99/175339399.db2.gz BZMUPJNYHRHBIT-CQSZACIVSA-N 1 0 258.406 2.037 10 0 CEAERO CCC[N@H+](CC[C@@](C)(NCC)C(=O)OCC)C1CC1 ZINC000045267998 175339815 /nfs/dbraw/zinc/33/98/15/175339815.db2.gz WRWGXCLZSZMGQG-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CCCCC[N@H+](C)CC[C@](C)([NH2+]CCC)C(=O)[O-] ZINC000045268190 175341035 /nfs/dbraw/zinc/34/10/35/175341035.db2.gz BMCQUXDRBKWTQE-AWEZNQCLSA-N 1 0 258.406 2.341 10 0 CEAERO CCN[C@@](C[N@H+](C)C(CC)CC)(C(N)=O)c1ccccc1 ZINC000045269590 175341787 /nfs/dbraw/zinc/34/17/87/175341787.db2.gz PEAAEMILYYYDNP-QGZVFWFLSA-N 1 0 291.439 2.097 10 0 CEAERO CCN[C@@](C)(C[N@H+](C)[C@@H]1CCCC[C@@H]1C)C(=O)OC ZINC000045279012 175349454 /nfs/dbraw/zinc/34/94/54/175349454.db2.gz VZUXCTXVIUZOET-GUTXKFCHSA-N 1 0 270.417 2.038 10 0 CEAERO CCN[C@](C)(C[N@H+](CC(C)C)C(C)C)C(=O)OCC ZINC000045280691 175351405 /nfs/dbraw/zinc/35/14/05/175351405.db2.gz BNOCBNCVKPAELR-OAHLLOKOSA-N 1 0 272.433 2.284 10 0 CEAERO COC(=O)[C@](C)(CC[N@H+](C)CCC(C)C)NC1CC1 ZINC000045281314 175351622 /nfs/dbraw/zinc/35/16/22/175351622.db2.gz WATYDWYTQMNCDR-HNNXBMFYSA-N 1 0 270.417 2.038 10 0 CEAERO CCCN[C@@](C)(C[N@H+](C)C1CCC(CC)CC1)C(N)=O ZINC000045281111 175351815 /nfs/dbraw/zinc/35/18/15/175351815.db2.gz IJOAAGHWXJLNGY-XUJLQICISA-N 1 0 283.460 2.131 10 0 CEAERO CCC1CC[NH+](C[C@@](N)(C(=O)OC)c2ccccc2)CC1 ZINC000045281335 175352246 /nfs/dbraw/zinc/35/22/46/175352246.db2.gz JTNVBNAVTWEMQX-KRWDZBQOSA-N 1 0 290.407 2.136 10 0 CEAERO CCCN[C@H](C[NH+]1CCCCCCC1)C(=O)OCC ZINC000045371273 175364174 /nfs/dbraw/zinc/36/41/74/175364174.db2.gz RWHONPDEGPPXDF-CQSZACIVSA-N 1 0 270.417 2.184 10 0 CEAERO CCOC(=O)[C@@H](C[NH+]1CCCCCCC1)NC(C)C ZINC000045371299 175364212 /nfs/dbraw/zinc/36/42/12/175364212.db2.gz GOHSDZRBLORBGD-CQSZACIVSA-N 1 0 270.417 2.182 10 0 CEAERO C[NH2+][C@](C)(CCCC[NH+]1CCCCCCC1)C(=O)[O-] ZINC000045371338 175364292 /nfs/dbraw/zinc/36/42/92/175364292.db2.gz CYUQWNLRXMVSRU-OAHLLOKOSA-N 1 0 270.417 2.486 10 0 CEAERO C[NH2+][C@@](C)(CCCC[NH+]1CCCCCC1)C(=O)[O-] ZINC000045377411 175367019 /nfs/dbraw/zinc/36/70/19/175367019.db2.gz SGMUWCKMQIXZMS-AWEZNQCLSA-N 1 0 256.390 2.095 10 0 CEAERO CCC[NH2+][C@](C)(CCCN(C)c1ccccc1)C(N)=O ZINC000045376639 175367021 /nfs/dbraw/zinc/36/70/21/175367021.db2.gz ZWWUVPFVVTWVNN-MRXNPFEDSA-N 1 0 277.412 2.147 10 0 CEAERO CC(C)[NH2+][C@@](C)(CCCC[NH+]1CCCCC1)C(=O)[O-] ZINC000045378219 175367600 /nfs/dbraw/zinc/36/76/00/175367600.db2.gz VXNNFUSSJBKSIU-HNNXBMFYSA-N 1 0 270.417 2.484 10 0 CEAERO C[C@@](CCCC[NH+]1CCCCC1)([NH2+]C1CC1)C(=O)[O-] ZINC000045378225 175367709 /nfs/dbraw/zinc/36/77/09/175367709.db2.gz OFNYSASSYVTQMZ-HNNXBMFYSA-N 1 0 268.401 2.238 10 0 CEAERO CCOC(=O)[C@](C)(CCCC[N@H+](C)CC(C)C)NC ZINC000045380850 175369676 /nfs/dbraw/zinc/36/96/76/175369676.db2.gz WBDLHYGHTXGDDS-HNNXBMFYSA-N 1 0 272.433 2.286 10 0 CEAERO CCCN[C@](C)(CCCC[N@H+](C)CCC)C(=O)OC ZINC000045382196 175370394 /nfs/dbraw/zinc/37/03/94/175370394.db2.gz CFBIFLIFPUSBBI-OAHLLOKOSA-N 1 0 272.433 2.430 10 0 CEAERO CC[N@H+](CCCC[C@](C)([NH2+]C1CC1)C(=O)[O-])C(C)C ZINC000045383612 175370688 /nfs/dbraw/zinc/37/06/88/175370688.db2.gz GMRKLOBJPBMJEV-HNNXBMFYSA-N 1 0 270.417 2.482 10 0 CEAERO CCOC(=O)[C@](C)(CCCC[N@H+](C)CC)NC(C)C ZINC000045382749 175370824 /nfs/dbraw/zinc/37/08/24/175370824.db2.gz UBOQWWYJUVVCTD-HNNXBMFYSA-N 1 0 272.433 2.428 10 0 CEAERO CC[N@H+](CCCC[C@@](C)([NH2+]C(C)C)C(=O)[O-])C1CC1 ZINC000045386311 175372175 /nfs/dbraw/zinc/37/21/75/175372175.db2.gz FFJWNPUCPWVJHB-OAHLLOKOSA-N 1 0 270.417 2.482 10 0 CEAERO CCC[N@H+](CC)CCC[C@](C)(NCC)C(=O)OC ZINC000045387075 175372624 /nfs/dbraw/zinc/37/26/24/175372624.db2.gz FVSLQRZYGRNTGY-AWEZNQCLSA-N 1 0 258.406 2.040 10 0 CEAERO COC(=O)[C@](C)([NH3+])CCCCN(CC(F)(F)F)C(C)C ZINC000045420486 175378511 /nfs/dbraw/zinc/37/85/11/175378511.db2.gz HHPWVCZPKZYJCG-GFCCVEGCSA-N 1 0 298.349 2.320 10 0 CEAERO CCN(CCCC[C@@](C)([NH2+]C)C(N)=O)c1cccc(F)c1 ZINC000045421320 175379791 /nfs/dbraw/zinc/37/97/91/175379791.db2.gz WQCMNRXKZDNTNR-MRXNPFEDSA-N 1 0 295.402 2.286 10 0 CEAERO Cc1cc([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(C)C2)cs1 ZINC000658241155 415272974 /nfs/dbraw/zinc/27/29/74/415272974.db2.gz KYRFCOONHYISAK-MNOVXSKESA-N 1 0 252.383 2.185 10 0 CEAERO Cc1ccc(C2CC([NH2+]C[C@@H]3CC(=O)N(C)C3)C2)cc1 ZINC000658241313 415274544 /nfs/dbraw/zinc/27/45/44/415274544.db2.gz WBDBNRUKVHFSFQ-JEYLPNPQSA-N 1 0 272.392 2.309 10 0 CEAERO CN1C[C@@H](C[NH2+][C@H]2CCc3cc(Cl)ccc32)CC1=O ZINC000658243160 415278260 /nfs/dbraw/zinc/27/82/60/415278260.db2.gz BPFBHZWBCCCJEM-YGRLFVJLSA-N 1 0 278.783 2.395 10 0 CEAERO CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000658245136 415280971 /nfs/dbraw/zinc/28/09/71/415280971.db2.gz WGCZOHIQMFXFLE-HZSPNIEDSA-N 1 0 252.402 2.269 10 0 CEAERO CCS(=O)(=O)c1ccccc1N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000050163872 175510649 /nfs/dbraw/zinc/51/06/49/175510649.db2.gz KVNHQOIANBRPLW-OLZOCXBDSA-N 1 0 296.436 2.280 10 0 CEAERO O=C(CC[C@H]1CCC[NH2+]1)N1CCC[C@H](OC2CCC2)C1 ZINC000655495557 415304481 /nfs/dbraw/zinc/30/44/81/415304481.db2.gz QCQRANCSARSEMR-HIFRSBDPSA-N 1 0 280.412 2.079 10 0 CEAERO C[C@@]1(C(=O)N2CCC[C@H](OC3CCC3)C2)CCCC[NH2+]1 ZINC000655494617 415306852 /nfs/dbraw/zinc/30/68/52/415306852.db2.gz DUNXDJKTZRMLCX-HOCLYGCPSA-N 1 0 280.412 2.079 10 0 CEAERO [NH3+][C@@H](c1ccc2c(c1)OCCCO2)[C@@H]1CCCCO1 ZINC000050960721 175521610 /nfs/dbraw/zinc/52/16/10/175521610.db2.gz JCVFAKWEQWRFBU-ZFWWWQNUSA-N 1 0 263.337 2.417 10 0 CEAERO CC[C@](C)(C[NH2+]C)Oc1c(OC)cccc1OC ZINC000051958658 175528514 /nfs/dbraw/zinc/52/85/14/175528514.db2.gz HJPHCDGWMHNHGK-CQSZACIVSA-N 1 0 253.342 2.471 10 0 CEAERO Cc1ccc(Nc2ccnc(N3CC[C@@H]([NH3+])C3)n2)cc1 ZINC000057330394 175592590 /nfs/dbraw/zinc/59/25/90/175592590.db2.gz QIAQRZMUMRIACH-GFCCVEGCSA-N 1 0 269.352 2.066 10 0 CEAERO Cc1nc(N(C)Cc2ccccc2)[nH+]c(NN)c1C ZINC000057331539 175592705 /nfs/dbraw/zinc/59/27/05/175592705.db2.gz RSYXCAPIUBGEKM-UHFFFAOYSA-N 1 0 257.341 2.015 10 0 CEAERO CN(CC1CCC1)c1nc2c(cc1C(N)=[NH2+])CCCC2 ZINC000061458387 175647187 /nfs/dbraw/zinc/64/71/87/175647187.db2.gz IEXKBVRJKOIWCI-UHFFFAOYSA-N 1 0 272.396 2.481 10 0 CEAERO [NH3+][C@@H](CNC(=O)CCc1ccccc1)c1ccccc1 ZINC000062838075 175675318 /nfs/dbraw/zinc/67/53/18/175675318.db2.gz XVDTUPJQMYAGQY-INIZCTEOSA-N 1 0 268.360 2.435 10 0 CEAERO CC[C@@H](NC(=O)[C@]1(COC)CCC[NH2+]1)C1CCCCC1 ZINC000659274635 415484410 /nfs/dbraw/zinc/48/44/10/415484410.db2.gz CQYYBWPZBKIXAL-GDBMZVCRSA-N 1 0 282.428 2.230 10 0 CEAERO CC[C@@H](NC(=O)[C@@]1(COC)CCC[NH2+]1)C1CCCCC1 ZINC000659274640 415484514 /nfs/dbraw/zinc/48/45/14/415484514.db2.gz CQYYBWPZBKIXAL-ZBFHGGJFSA-N 1 0 282.428 2.230 10 0 CEAERO CC[C@H](NC(=O)[C@@]1(COC)CCC[NH2+]1)C1CCCCC1 ZINC000659274638 415484678 /nfs/dbraw/zinc/48/46/78/415484678.db2.gz CQYYBWPZBKIXAL-HOCLYGCPSA-N 1 0 282.428 2.230 10 0 CEAERO C[C@@H](NC(=O)C1([NH3+])CC2(CCC2)C1)C1CCCC1 ZINC000659279637 415486645 /nfs/dbraw/zinc/48/66/45/415486645.db2.gz AAVWMKXTQQBHNV-LLVKDONJSA-N 1 0 250.386 2.343 10 0 CEAERO C[C@H]1C[C@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)C[C@@H](C)C1 ZINC000659342242 415531234 /nfs/dbraw/zinc/53/12/34/415531234.db2.gz DLCFOSXCDDHELN-MQLXINIDSA-N 1 0 252.402 2.302 10 0 CEAERO CCC(C)(C)[C@H](C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000659341063 415532629 /nfs/dbraw/zinc/53/26/29/415532629.db2.gz ZREYGJHAFVCITB-IVZWLZJFSA-N 1 0 280.334 2.325 10 0 CEAERO Cc1cc(C)cc(CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000659346093 415533991 /nfs/dbraw/zinc/53/39/91/415533991.db2.gz ZVGRLUVTKMQMAV-LSDHHAIUSA-N 1 0 260.381 2.437 10 0 CEAERO CC[C@@H]1CC[C@@H](C)N(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000659374533 415545179 /nfs/dbraw/zinc/54/51/79/415545179.db2.gz MYOPCWLEZBOVEI-AAVRWANBSA-N 1 0 252.402 2.412 10 0 CEAERO CC[C@@H]1CC[C@@H](C)N(C(=O)[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000659374535 415546227 /nfs/dbraw/zinc/54/62/27/415546227.db2.gz MYOPCWLEZBOVEI-SYQHCUMBSA-N 1 0 252.402 2.412 10 0 CEAERO CC(C)CC[C@@H](C)[NH2+]C[C@@H](O)COCCOC(C)C ZINC000070185059 175880162 /nfs/dbraw/zinc/88/01/62/175880162.db2.gz QMQVYETWBQGJMF-HUUCEWRRSA-N 1 0 275.433 2.203 10 0 CEAERO CC(C)[C@@H]1C[C@@](CN)([NH+]2CCCCCC2)CCO1 ZINC000070362594 175890687 /nfs/dbraw/zinc/89/06/87/175890687.db2.gz MAGDFIPWWTZGMT-GJZGRUSLSA-N 1 0 254.418 2.395 10 0 CEAERO CCC[C@H]1C[C@]([NH3+])(c2noc(C(F)(F)F)n2)CCO1 ZINC000070369671 175898663 /nfs/dbraw/zinc/89/86/63/175898663.db2.gz FAUDDYQGCBLVRU-XVKPBYJWSA-N 1 0 279.262 2.222 10 0 CEAERO COc1ccc([C@@H]([NH3+])c2cc(C)cnc2N)cc1OC ZINC000070404442 175912531 /nfs/dbraw/zinc/91/25/31/175912531.db2.gz VGPNFGYLUYPTHW-CQSZACIVSA-N 1 0 273.336 2.038 10 0 CEAERO CCCc1cc(N2CC[C@H]([NH3+])C2)nc(-c2cccnc2)n1 ZINC000070455891 175940248 /nfs/dbraw/zinc/94/02/48/175940248.db2.gz ZJMJKSOPGYNLLC-ZDUSSCGKSA-N 1 0 283.379 2.029 10 0 CEAERO [NH3+]CCc1ccccc1-n1cc(C(F)(F)F)cn1 ZINC000070468166 175948304 /nfs/dbraw/zinc/94/83/04/175948304.db2.gz JJNXIOIPCSTFJL-UHFFFAOYSA-N 1 0 255.243 2.392 10 0 CEAERO COC(=O)CC[C@H]([NH3+])c1ccc2c(c1)OC[C@@H](C)CO2 ZINC000070510473 175960669 /nfs/dbraw/zinc/96/06/69/175960669.db2.gz GUAUGJNWVUECTE-JQWIXIFHSA-N 1 0 279.336 2.047 10 0 CEAERO C[NH2+][C@@](C)(CO)C[C@H](C)Oc1ccc(CCOC)cc1 ZINC000070519341 175966299 /nfs/dbraw/zinc/96/62/99/175966299.db2.gz DJHFCLLWSIHPIT-XJKSGUPXSA-N 1 0 281.396 2.003 10 0 CEAERO C[NH2+]C[C@@H](C)CSc1ccc(S(C)(=O)=O)cc1 ZINC000070525992 175970452 /nfs/dbraw/zinc/97/04/52/175970452.db2.gz NXTCJPSSEKOWFJ-SNVBAGLBSA-N 1 0 273.423 2.038 10 0 CEAERO [NH3+]CCc1ccccc1-c1nnc2n1CCCCC2 ZINC000070541250 175977070 /nfs/dbraw/zinc/97/70/70/175977070.db2.gz DXQCNKOQHRTUGB-UHFFFAOYSA-N 1 0 256.353 2.173 10 0 CEAERO C[C@H]([NH2+]CC[C@@H]1CCC[C@@H](C)C1)C(=O)N1CCOCC1 ZINC000070548005 175979700 /nfs/dbraw/zinc/97/97/00/175979700.db2.gz NSOPHMVZAPUQJN-ILXRZTDVSA-N 1 0 282.428 2.040 10 0 CEAERO [NH3+]C[C@@H]1CCO[C@@H]1c1ccccc1Br ZINC000070674065 176000577 /nfs/dbraw/zinc/00/05/77/176000577.db2.gz OSPJECYBPGYVBQ-KWQFWETISA-N 1 0 256.143 2.485 10 0 CEAERO CC[NH2+]Cc1csc(N2CCSC[C@@H]2C)n1 ZINC000070682447 176001321 /nfs/dbraw/zinc/00/13/21/176001321.db2.gz VPDPISCGTOBYQH-VIFPVBQESA-N 1 0 257.428 2.194 10 0 CEAERO [NH3+]Cc1ccnn1Cc1cccc(Br)c1 ZINC000070708278 176002600 /nfs/dbraw/zinc/00/26/00/176002600.db2.gz DGUREFHALVMMQG-UHFFFAOYSA-N 1 0 266.142 2.153 10 0 CEAERO CN(Cc1ccc(F)cc1)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000070726720 176003582 /nfs/dbraw/zinc/00/35/82/176003582.db2.gz BUQXNZQRRUGLIS-GXTWGEPZSA-N 1 0 264.344 2.302 10 0 CEAERO O=C(Nc1ccc(-n2ccnc2)c(Cl)c1)[C@H]1CCC[NH2+]1 ZINC000070812379 176006546 /nfs/dbraw/zinc/00/65/46/176006546.db2.gz KJVPCXMIEQRGLE-GFCCVEGCSA-N 1 0 290.754 2.216 10 0 CEAERO CN(C[C@@H]1CC[N@H+](C)C1)c1ccc(Br)cn1 ZINC000070823939 176007725 /nfs/dbraw/zinc/00/77/25/176007725.db2.gz DRVYEIXPDVOZLK-SNVBAGLBSA-N 1 0 284.201 2.232 10 0 CEAERO CC[NH2+][C@H]1CCN(c2ccc(C)c(Br)c2)C1=O ZINC000070940853 176014900 /nfs/dbraw/zinc/01/49/00/176014900.db2.gz RHOKPFFGKXZHPG-LBPRGKRZSA-N 1 0 297.196 2.472 10 0 CEAERO [NH3+]CCN(C(=O)Cc1ccc(F)cc1)C1CCCC1 ZINC000070943578 176016255 /nfs/dbraw/zinc/01/62/55/176016255.db2.gz GQKYYGLIPVPYLS-UHFFFAOYSA-N 1 0 264.344 2.098 10 0 CEAERO CC(C)[NH2+][C@H]1CCCN(CCOc2ccccc2)C1=O ZINC000071031506 176022966 /nfs/dbraw/zinc/02/29/66/176022966.db2.gz CWQRPTNGIDPYCE-HNNXBMFYSA-N 1 0 276.380 2.054 10 0 CEAERO C[NH2+][C@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000071032081 176023225 /nfs/dbraw/zinc/02/32/25/176023225.db2.gz XKLFHWAXNKBIRP-GWCFXTLKSA-N 1 0 250.317 2.097 10 0 CEAERO CC(C)[NH2+][C@H]1CCN(c2ccc(F)cc2F)C1=O ZINC000071032921 176023617 /nfs/dbraw/zinc/02/36/17/176023617.db2.gz AUQHNEISUBPRNJ-NSHDSACASA-N 1 0 254.280 2.068 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN(CCc2ccc(Cl)cc2)C1=O ZINC000071034426 176024356 /nfs/dbraw/zinc/02/43/56/176024356.db2.gz LDHATBACCKFUTE-CQSZACIVSA-N 1 0 280.799 2.481 10 0 CEAERO C[NH2+][C@@H]1CCCN([C@H](C)c2cc(C)oc2C)C1=O ZINC000071035198 176024702 /nfs/dbraw/zinc/02/47/02/176024702.db2.gz DZCJPZPTXVSLLZ-ZWNOBZJWSA-N 1 0 250.342 2.168 10 0 CEAERO Cc1nc(N2CCC[C@@H]([NH2+]C3CC3)C2=O)sc1C ZINC000071037182 176026043 /nfs/dbraw/zinc/02/60/43/176026043.db2.gz ZOAJXJDFTWKMDZ-LLVKDONJSA-N 1 0 265.382 2.007 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN(CCCOc2ccccc2)C1=O ZINC000071043197 176029210 /nfs/dbraw/zinc/02/92/10/176029210.db2.gz KSSONHCNUVDJEJ-OAHLLOKOSA-N 1 0 276.380 2.054 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN(Cc2cc(F)ccc2F)C1=O ZINC000071043726 176030045 /nfs/dbraw/zinc/03/00/45/176030045.db2.gz HXYQCTXLKXYGQO-CYBMUJFWSA-N 1 0 268.307 2.064 10 0 CEAERO c1ccc2c(c1)CCO[C@H]2C[NH2+]CC[C@@H]1CCCO1 ZINC000071090779 176031060 /nfs/dbraw/zinc/03/10/60/176031060.db2.gz IPFWHEVPVQEQDI-HOCLYGCPSA-N 1 0 261.365 2.459 10 0 CEAERO CCC(CC)(CO)[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000071091113 176031594 /nfs/dbraw/zinc/03/15/94/176031594.db2.gz FZWDDJYTRYDSOQ-HNNXBMFYSA-N 1 0 263.381 2.441 10 0 CEAERO CC[C@@H]1CCC[C@](C[NH3+])(N2CCOC[C@@H]2CC)C1 ZINC000071123469 176034781 /nfs/dbraw/zinc/03/47/81/176034781.db2.gz ZMGURZJVKIOKHI-ILXRZTDVSA-N 1 0 254.418 2.395 10 0 CEAERO COc1ccc(CN2CCC[C@H]2C[NH2+]C2CC2)cc1 ZINC000071137970 176036297 /nfs/dbraw/zinc/03/62/97/176036297.db2.gz KWGYXOOQBIWDNW-HNNXBMFYSA-N 1 0 260.381 2.412 10 0 CEAERO COc1ccc(Cn2nc(C)c(CC[NH3+])c2C)cc1 ZINC000071139263 176037527 /nfs/dbraw/zinc/03/75/27/176037527.db2.gz SEUXFVDEFXSUSS-UHFFFAOYSA-N 1 0 259.353 2.058 10 0 CEAERO CC[NH2+][C@H](c1ccc2c(c1)C(=O)N(C)C(=O)C2)[C@H]1C[C@@H]1C ZINC000071139494 176038060 /nfs/dbraw/zinc/03/80/60/176038060.db2.gz MJEICDWFECGDKZ-YNZJMPHRSA-N 1 0 286.375 2.148 10 0 CEAERO CC[NH2+][C@@H](CC1CC1)c1ccc2c(c1)C(=O)N(C)C(=O)C2 ZINC000071139485 176038149 /nfs/dbraw/zinc/03/81/49/176038149.db2.gz PLMRPABQTZRFFX-HNNXBMFYSA-N 1 0 286.375 2.292 10 0 CEAERO CC[C@@H]1CCCC[C@]1(CN)[N@H+](CCCOC)CCOC ZINC000071161921 176046423 /nfs/dbraw/zinc/04/64/23/176046423.db2.gz KNSRLTBGGHZJBT-HZPDHXFCSA-N 1 0 286.460 2.269 10 0 CEAERO CC[C@@H]1CN([C@@]2(C[NH3+])CCCC[C@@H]2CC)CC[N@@H+]1C ZINC000071162258 176046651 /nfs/dbraw/zinc/04/66/51/176046651.db2.gz GLWCIBGMMPEZRL-ARFHVFGLSA-N 1 0 267.461 2.310 10 0 CEAERO Cc1c(Cl)nnc(OC2CC[NH+](C)CC2)c1C ZINC000071170898 176051547 /nfs/dbraw/zinc/05/15/47/176051547.db2.gz USRMMOMIJQRIQG-UHFFFAOYSA-N 1 0 255.749 2.220 10 0 CEAERO Cc1c(Cl)nnc(OCC[NH+]2CCCC2)c1C ZINC000071170886 176051631 /nfs/dbraw/zinc/05/16/31/176051631.db2.gz PBLNBAHBTMNKKR-UHFFFAOYSA-N 1 0 255.749 2.221 10 0 CEAERO CC(C)Oc1cncc(Nc2cccc(C[NH3+])c2)n1 ZINC000071177415 176055273 /nfs/dbraw/zinc/05/52/73/176055273.db2.gz UHTJQRDPOIMBAO-UHFFFAOYSA-N 1 0 258.325 2.466 10 0 CEAERO CCCOc1cncc(N[C@H]2c3ccccc3C[C@@H]2[NH3+])n1 ZINC000071177458 176055397 /nfs/dbraw/zinc/05/53/97/176055397.db2.gz VURQSOKZBHBIKG-BBRMVZONSA-N 1 0 284.363 2.302 10 0 CEAERO CN(Cc1cccc(Cl)c1)c1cnc(C[NH3+])cn1 ZINC000071177868 176055720 /nfs/dbraw/zinc/05/57/20/176055720.db2.gz ORDIZNVDYWSGHW-UHFFFAOYSA-N 1 0 262.744 2.225 10 0 CEAERO CC(C)C[NH2+]Cc1ccccc1O[C@@H]1CCN(C)C1=O ZINC000071183146 176058454 /nfs/dbraw/zinc/05/84/54/176058454.db2.gz NWSUYOWXTQMORG-OAHLLOKOSA-N 1 0 276.380 2.042 10 0 CEAERO CN(C[C@H]1CC[N@H+](C)C1)c1ccc(Cl)cc1N ZINC000071188408 176062611 /nfs/dbraw/zinc/06/26/11/176062611.db2.gz PJPSRTKAKIAJDC-JTQLQIEISA-N 1 0 253.777 2.310 10 0 CEAERO CN(C[C@@H]1CC[N@H+](C)C1)c1ccc(Cl)cc1N ZINC000071188409 176062653 /nfs/dbraw/zinc/06/26/53/176062653.db2.gz PJPSRTKAKIAJDC-SNVBAGLBSA-N 1 0 253.777 2.310 10 0 CEAERO CC(=O)c1c(F)cccc1N(C)C[C@H]1CC[N@H+](C)C1 ZINC000071189375 176064313 /nfs/dbraw/zinc/06/43/13/176064313.db2.gz XYSNJHQDRPGDIR-LBPRGKRZSA-N 1 0 264.344 2.416 10 0 CEAERO C[C@H](O)c1c(F)cccc1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189663 176065822 /nfs/dbraw/zinc/06/58/22/176065822.db2.gz XQFIZBZZMTZJFJ-NWDGAFQWSA-N 1 0 266.360 2.267 10 0 CEAERO CNc1ccc(Cl)c(CN(C)C[C@H]2CC[N@H+](C)C2)n1 ZINC000071191135 176070095 /nfs/dbraw/zinc/07/00/95/176070095.db2.gz KDNALLNEABNIBT-NSHDSACASA-N 1 0 282.819 2.160 10 0 CEAERO COc1ccc([C@H]2C[NH2+][C@@H](C)C2)c(OC)c1OC ZINC000071202233 176078221 /nfs/dbraw/zinc/07/82/21/176078221.db2.gz YFMDIMTUIWHGNC-VHSXEESVSA-N 1 0 251.326 2.178 10 0 CEAERO CCC[C@@]1(C(=O)N[C@H]2CCC[C@@H]2C)CCC[NH2+]C1 ZINC000071209048 176081889 /nfs/dbraw/zinc/08/18/89/176081889.db2.gz CGFOUHMKQXMJKD-KCQAQPDRSA-N 1 0 252.402 2.461 10 0 CEAERO CC[C@@H](C)[NH2+]CCn1cc(C(F)(F)F)ccc1=O ZINC000071212145 176083682 /nfs/dbraw/zinc/08/36/82/176083682.db2.gz NDSFWVFFBZTYJD-SECBINFHSA-N 1 0 262.275 2.255 10 0 CEAERO CCCC[C@@H](CC)C(=O)N(CCC[NH3+])CCOC ZINC000071222979 176087938 /nfs/dbraw/zinc/08/79/38/176087938.db2.gz MYNDBOMNRJKTJD-CYBMUJFWSA-N 1 0 258.406 2.027 10 0 CEAERO COCCN(CCC[NH3+])C(=O)c1cc2cc(C)ccc2o1 ZINC000071223112 176088371 /nfs/dbraw/zinc/08/83/71/176088371.db2.gz GUKPLKSKNJKTQU-UHFFFAOYSA-N 1 0 290.363 2.179 10 0 CEAERO CCc1ccc(C[N@H+](CCOC)CCC(N)=S)s1 ZINC000071225997 176089811 /nfs/dbraw/zinc/08/98/11/176089811.db2.gz MDBWQQLZSJATHV-UHFFFAOYSA-N 1 0 286.466 2.435 10 0 CEAERO COCCN(CCC(N)=[NH2+])Cc1cccc2cccnc21 ZINC000071229191 176091036 /nfs/dbraw/zinc/09/10/36/176091036.db2.gz RRTFMQTYDNHODB-UHFFFAOYSA-N 1 0 286.379 2.009 10 0 CEAERO C[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1C(N)=S ZINC000071265858 176099465 /nfs/dbraw/zinc/09/94/65/176099465.db2.gz TZRROQKIKDSPHM-VIFPVBQESA-N 1 0 252.358 2.444 10 0 CEAERO CCN(Cc1ccc(F)cc1C(N)=[NH2+])CC(F)(F)F ZINC000071267923 176101898 /nfs/dbraw/zinc/10/18/98/176101898.db2.gz TZDVDNMMOZLVOU-UHFFFAOYSA-N 1 0 277.265 2.494 10 0 CEAERO CCOC(=O)CCCCC[NH2+]C[C@@H]1CCCN1CC ZINC000071293154 176111229 /nfs/dbraw/zinc/11/12/29/176111229.db2.gz WXESWQHBPAWJRQ-AWEZNQCLSA-N 1 0 270.417 2.184 10 0 CEAERO CCOC(=O)CCCCC[N@H+](C)C1CCN(C)CC1 ZINC000071292853 176111335 /nfs/dbraw/zinc/11/13/35/176111335.db2.gz BSVAFUCZYSJJPA-UHFFFAOYSA-N 1 0 270.417 2.136 10 0 CEAERO CCOC(=O)CCCCC[NH2+][C@@H]1CCC[C@@H]1OC ZINC000071294001 176111839 /nfs/dbraw/zinc/11/18/39/176111839.db2.gz KURNPHCGECMCGL-OLZOCXBDSA-N 1 0 257.374 2.267 10 0 CEAERO COc1ccc([C@@H]2C[NH2+]C[C@@H](C3CC3)O2)cc1F ZINC000071308491 176116162 /nfs/dbraw/zinc/11/61/62/176116162.db2.gz YTUTUEGCTHFGQG-KBPBESRZSA-N 1 0 251.301 2.274 10 0 CEAERO COc1ccc([C@@H]2C[NH2+]C[C@@H](C3CC3)O2)c(OC)c1 ZINC000071308554 176116242 /nfs/dbraw/zinc/11/62/42/176116242.db2.gz NWHYVGUTITVLGR-GJZGRUSLSA-N 1 0 263.337 2.143 10 0 CEAERO COc1ccc([C@@H]2C[NH2+]C[C@H](C3CC3)O2)cc1F ZINC000071308487 176116267 /nfs/dbraw/zinc/11/62/67/176116267.db2.gz YTUTUEGCTHFGQG-KGLIPLIRSA-N 1 0 251.301 2.274 10 0 CEAERO CCN(C(=O)CCCc1cccs1)[C@@H]1CC[NH2+]C1 ZINC000071312590 176119298 /nfs/dbraw/zinc/11/92/98/176119298.db2.gz FZDAQVFOXQQYJM-GFCCVEGCSA-N 1 0 266.410 2.281 10 0 CEAERO CCCN(C(=O)c1c[nH]c2ccccc12)[C@@H]1CC[NH2+]C1 ZINC000071315620 176121705 /nfs/dbraw/zinc/12/17/05/176121705.db2.gz XEQVFWFKZVGDFG-GFCCVEGCSA-N 1 0 271.364 2.382 10 0 CEAERO CCCN(C(=O)c1ccc(Cl)cc1O)[C@H]1CC[NH2+]C1 ZINC000071330180 176124220 /nfs/dbraw/zinc/12/42/20/176124220.db2.gz WTJHIJWNUBCJRL-NSHDSACASA-N 1 0 282.771 2.260 10 0 CEAERO Cc1csc2nc(C)c(C[NH2+]Cc3ccnn3C)n12 ZINC000071333423 176125924 /nfs/dbraw/zinc/12/59/24/176125924.db2.gz JVJHBNWBOMKICU-UHFFFAOYSA-N 1 0 275.381 2.036 10 0 CEAERO Cc1ccc(C(=O)NC[C@H]2[NH2+]CCC[C@H]2C)cc1F ZINC000071338544 176128681 /nfs/dbraw/zinc/12/86/81/176128681.db2.gz LQOKMHUHWXDXFQ-BXUZGUMPSA-N 1 0 264.344 2.252 10 0 CEAERO COc1ccc(CCC(=O)NC[C@@H]2[NH2+]CCC[C@@H]2C)cc1 ZINC000071338635 176129064 /nfs/dbraw/zinc/12/90/64/176129064.db2.gz JZXZTGJGGHFINV-BBRMVZONSA-N 1 0 290.407 2.132 10 0 CEAERO Cc1cc(C(=O)NC[C@@H]2[NH2+]CCC[C@@H]2C)ccc1F ZINC000071338867 176129452 /nfs/dbraw/zinc/12/94/52/176129452.db2.gz RQNQKMGEYQNVLH-HZMBPMFUSA-N 1 0 264.344 2.252 10 0 CEAERO C[C@H]1CCC[NH2+][C@H]1CN1C(=O)CC2(CCCCCC2)C1=O ZINC000071339246 176129541 /nfs/dbraw/zinc/12/95/41/176129541.db2.gz ZWZLDYACRGGDAR-KBPBESRZSA-N 1 0 292.423 2.474 10 0 CEAERO CC(C)[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1Cc1cnn(C)c1 ZINC000071347141 176132083 /nfs/dbraw/zinc/13/20/83/176132083.db2.gz LAWQQNBSBMAXCR-HUUCEWRRSA-N 1 0 278.444 2.265 10 0 CEAERO CCC[C@H]1C[NH2+][C@@H](CC(C)C)CN1CCn1cccn1 ZINC000071350296 176134101 /nfs/dbraw/zinc/13/41/01/176134101.db2.gz IZQNUGXKGWOSRG-HOTGVXAUSA-N 1 0 278.444 2.372 10 0 CEAERO Nc1ccn(CCC[N@@H+]2CC[C@H](c3ccccc3)C2)n1 ZINC000071352456 176135390 /nfs/dbraw/zinc/13/53/90/176135390.db2.gz NZJFKKPUMWTXNW-HNNXBMFYSA-N 1 0 270.380 2.345 10 0 CEAERO C[C@@H]1C[NH2+][C@H](Cc2ccccc2)CN1CC(F)(F)F ZINC000071352568 176135496 /nfs/dbraw/zinc/13/54/96/176135496.db2.gz AHWMDIICEIJFJD-DGCLKSJQSA-N 1 0 272.314 2.454 10 0 CEAERO CC[C@H](C)[C@@H]1CN(Cc2ncccn2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000071356323 176136520 /nfs/dbraw/zinc/13/65/20/176136520.db2.gz DHWYUIVLQWNMJC-JLJPHGGASA-N 1 0 288.439 2.465 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@H]([C@@H](C)CC)CN1CCOCCOC ZINC000071354606 176136909 /nfs/dbraw/zinc/13/69/09/176136909.db2.gz UPEDZVRLVLNDFG-ARFHVFGLSA-N 1 0 286.460 2.138 10 0 CEAERO CC[C@@H]1C[NH2+][C@@](C)(CC)CN1C[C@@H]1CCCCO1 ZINC000071356656 176136931 /nfs/dbraw/zinc/13/69/31/176136931.db2.gz NIOVCDLVACAJLH-ILXRZTDVSA-N 1 0 254.418 2.408 10 0 CEAERO CC[C@@]1(C)CN(CCn2cccn2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000071358089 176137432 /nfs/dbraw/zinc/13/74/32/176137432.db2.gz GBQGGDLNEJWNKC-JKSUJKDBSA-N 1 0 276.428 2.126 10 0 CEAERO CCOc1ccccc1CSc1nnc(C[NH3+])n1CC ZINC000071374943 176140176 /nfs/dbraw/zinc/14/01/76/176140176.db2.gz CNHFWRANYXAGLG-UHFFFAOYSA-N 1 0 292.408 2.448 10 0 CEAERO C[C@H](NCC[N@H+](C)C1CCCC1)C(=O)N1CCCCCC1 ZINC000071377381 176141860 /nfs/dbraw/zinc/14/18/60/176141860.db2.gz MRZFOMUZZQHKPH-HNNXBMFYSA-N 1 0 295.471 2.242 10 0 CEAERO C[N@H+](CCN1C(=S)N=NC1C1CC1)C1CCCC1 ZINC000071377668 176142824 /nfs/dbraw/zinc/14/28/24/176142824.db2.gz XOZUXEJIOTVYIE-UHFFFAOYSA-N 1 0 266.414 2.319 10 0 CEAERO CC[C@H]1CCC[C@@H]([NH+]2CCN(CC(C)(C)O)CC2)C1 ZINC000071382257 176145707 /nfs/dbraw/zinc/14/57/07/176145707.db2.gz YFLMLAQMBIOVSL-LSDHHAIUSA-N 1 0 268.445 2.344 10 0 CEAERO CC[C@@H](C)NC(=O)[C@H](C)Oc1ccc(C)cc1C[NH2+]C ZINC000071403672 176155383 /nfs/dbraw/zinc/15/53/83/176155383.db2.gz BKPBAPOHUQOFQP-OLZOCXBDSA-N 1 0 278.396 2.396 10 0 CEAERO Cc1ccc(OCCOCCO)c(C[NH2+]C(C)(C)C)c1 ZINC000071407064 176156185 /nfs/dbraw/zinc/15/61/85/176156185.db2.gz HYCRYTRCOYUPTB-UHFFFAOYSA-N 1 0 281.396 2.271 10 0 CEAERO COC(=O)[C@H](C)Oc1ccc(C)cc1C[NH2+]C1CC1 ZINC000071406845 176156493 /nfs/dbraw/zinc/15/64/93/176156493.db2.gz MUTJISRVHDNCHG-NSHDSACASA-N 1 0 263.337 2.187 10 0 CEAERO C[C@@H]1CC[NH2+]C[C@@H]1N1C(=O)CC2(CCCCCC2)C1=O ZINC000071413277 176158542 /nfs/dbraw/zinc/15/85/42/176158542.db2.gz WWCLWNNKCOOCJA-OLZOCXBDSA-N 1 0 278.396 2.084 10 0 CEAERO COc1ccc([C@@H](O)[C@H](C)[NH2+]C(C)C)c(OC)c1 ZINC000071574773 176201859 /nfs/dbraw/zinc/20/18/59/176201859.db2.gz WPWHCEUDINNTRI-HZMBPMFUSA-N 1 0 253.342 2.124 10 0 CEAERO [NH3+]Cc1nc(-c2cc(Br)cs2)c[nH]1 ZINC000071583615 176208315 /nfs/dbraw/zinc/20/83/15/176208315.db2.gz WFBHTOMBNDBZFX-UHFFFAOYSA-N 1 0 258.144 2.359 10 0 CEAERO CCc1cc(Cc2nc(CC[NH3+])c[nH]2)ccc1OC ZINC000071585428 176210696 /nfs/dbraw/zinc/21/06/96/176210696.db2.gz HMATZQUBIPHDEI-UHFFFAOYSA-N 1 0 259.353 2.073 10 0 CEAERO CCOc1ccc(CC[C@@H](O)[C@H]2CCC[NH2+]C2)cc1 ZINC000071596030 176219081 /nfs/dbraw/zinc/21/90/81/176219081.db2.gz LQPILNAAJGORIM-GOEBONIOSA-N 1 0 263.381 2.378 10 0 CEAERO CC(C)c1ccc(S(=O)(=O)CC[NH2+]C2CC2)cc1 ZINC000071599326 176224195 /nfs/dbraw/zinc/22/41/95/176224195.db2.gz ZFYRDSYYOAPKHC-UHFFFAOYSA-N 1 0 267.394 2.336 10 0 CEAERO CC(=O)N1CCc2cc(N(C)C3CC[NH+](C)CC3)ccc21 ZINC000071711318 176248721 /nfs/dbraw/zinc/24/87/21/176248721.db2.gz PJAIYAITTYSANP-UHFFFAOYSA-N 1 0 287.407 2.126 10 0 CEAERO OCC[N@@H+]1CCC[C@H](c2nccnc2Oc2ccccc2)C1 ZINC000072361598 176377339 /nfs/dbraw/zinc/37/73/39/176377339.db2.gz HXNIWPYNBISFEE-AWEZNQCLSA-N 1 0 299.374 2.441 10 0 CEAERO COc1ccc([C@H]2Cc3n[nH]cc3[C@@H]([NH3+])C2)c(OC)c1 ZINC000072415371 176399495 /nfs/dbraw/zinc/39/94/95/176399495.db2.gz APDCQNAHPISFBL-RNCFNFMXSA-N 1 0 273.336 2.157 10 0 CEAERO C[NH+](C)CCN1CCc2c(Br)cccc2C1 ZINC000074449500 176553384 /nfs/dbraw/zinc/55/33/84/176553384.db2.gz HTMHMQBNTOBPOD-UHFFFAOYSA-N 1 0 283.213 2.369 10 0 CEAERO CC[C@H]([NH2+]C)C(=O)N[C@H](C)c1ccc(C)c(F)c1 ZINC000662497823 415865343 /nfs/dbraw/zinc/86/53/43/415865343.db2.gz YPGDYFUTCORCJW-MFKMUULPSA-N 1 0 252.333 2.309 10 0 CEAERO O=C([C@@H]1CC[NH2+]C1)N1CCC[C@@H](C2CCCCC2)C1 ZINC000662741552 415950768 /nfs/dbraw/zinc/95/07/68/415950768.db2.gz NLWGFFIZQYBSGL-HUUCEWRRSA-N 1 0 264.413 2.415 10 0 CEAERO C[C@@]1(C(=O)N2CCC[C@H](CCF)C2)CCCC[NH2+]1 ZINC000662689752 415931306 /nfs/dbraw/zinc/93/13/06/415931306.db2.gz XGIAHTXKNFJWAL-OCCSQVGLSA-N 1 0 256.365 2.117 10 0 CEAERO Cn1c(C[C@@H]([NH3+])c2ccccn2)nc2ccccc21 ZINC000075727799 176763893 /nfs/dbraw/zinc/76/38/93/176763893.db2.gz FGCWWPAUFPJTQE-LLVKDONJSA-N 1 0 252.321 2.211 10 0 CEAERO NC(=[NH2+])CCOc1cc(F)ccc1Br ZINC000075914353 176828802 /nfs/dbraw/zinc/82/88/02/176828802.db2.gz UCEZCUZXVAOBQG-UHFFFAOYSA-N 1 0 261.094 2.293 10 0 CEAERO C[NH2+]CCC(=O)N(C)c1ccc(OC(C)C)c(F)c1 ZINC000076399031 177015847 /nfs/dbraw/zinc/01/58/47/177015847.db2.gz QFYUHWBHUJHDKH-UHFFFAOYSA-N 1 0 268.332 2.185 10 0 CEAERO [NH3+][C@@H](Cn1cccn1)c1ccc(Br)s1 ZINC000076413320 177021239 /nfs/dbraw/zinc/02/12/39/177021239.db2.gz YZCZVZKKAOIEBZ-ZETCQYMHSA-N 1 0 272.171 2.407 10 0 CEAERO COc1cccc(NC(=O)[C@@H](CC[NH3+])C(C)C)c1 ZINC000076654579 177044496 /nfs/dbraw/zinc/04/44/96/177044496.db2.gz VZLXMLHJXAOZRR-ZDUSSCGKSA-N 1 0 250.342 2.255 10 0 CEAERO CC(C)(C)NC(=O)CC[C@@H](C[NH3+])c1cccs1 ZINC000076658572 177047573 /nfs/dbraw/zinc/04/75/73/177047573.db2.gz LYBJGTHERFBZRW-JTQLQIEISA-N 1 0 254.399 2.485 10 0 CEAERO COc1cc(C)ccc1OC[C@H](C[NH3+])c1ccc[nH]1 ZINC000076670756 177053632 /nfs/dbraw/zinc/05/36/32/177053632.db2.gz XCMJCOJJMVUXAV-LBPRGKRZSA-N 1 0 260.337 2.453 10 0 CEAERO CCC[C@@H](CC[NH3+])C(=O)Nc1ccc2c(c1)OCO2 ZINC000076679551 177057494 /nfs/dbraw/zinc/05/74/94/177057494.db2.gz QKGXGURSVYNFEM-JTQLQIEISA-N 1 0 264.325 2.119 10 0 CEAERO C[C@H](CC[NH3+])C(=O)Nc1cccc(Br)c1 ZINC000076710911 177067623 /nfs/dbraw/zinc/06/76/23/177067623.db2.gz ZOWUKAJFKVKOEL-MRVPVSSYSA-N 1 0 271.158 2.373 10 0 CEAERO C[NH2+][C@@H](C)c1cn2cccc(Br)c2n1 ZINC000076792721 177097826 /nfs/dbraw/zinc/09/78/26/177097826.db2.gz MMUBXVKGDRXBFQ-ZETCQYMHSA-N 1 0 254.131 2.377 10 0 CEAERO COc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)cc1F ZINC000077204483 177232907 /nfs/dbraw/zinc/23/29/07/177232907.db2.gz QRHPMUYEEYQOIL-JSGCOSHPSA-N 1 0 267.344 2.475 10 0 CEAERO CCc1nc(C[NH2+]C[C@H]2CCCC[C@H]2O)cs1 ZINC000077208081 177234851 /nfs/dbraw/zinc/23/48/51/177234851.db2.gz ZDAMZUQQKBJXNR-ZYHUDNBSSA-N 1 0 254.399 2.346 10 0 CEAERO COC[C@](C)([NH3+])c1cc(Br)cs1 ZINC000077430005 177266579 /nfs/dbraw/zinc/26/65/79/177266579.db2.gz KRLMOZAHQGNVFQ-QMMMGPOBSA-N 1 0 250.161 2.331 10 0 CEAERO CC[C@@H]1CC[C@@H]([NH2+]CCc2nnc3ccccn32)C1 ZINC000078005316 177316672 /nfs/dbraw/zinc/31/66/72/177316672.db2.gz SEMQTNAJGIBDIB-CHWSQXEVSA-N 1 0 258.369 2.440 10 0 CEAERO C[C@@H]([NH2+][C@@H](C)C(=O)NC1CC1)c1ccc(F)c(F)c1 ZINC000078525181 177350156 /nfs/dbraw/zinc/35/01/56/177350156.db2.gz XMMXHNLABNSZSC-BDAKNGLRSA-N 1 0 268.307 2.283 10 0 CEAERO C[C@](CO)([NH2+]C[C@@H]1CCCO1)c1ccc(F)cc1Cl ZINC000078904938 177404763 /nfs/dbraw/zinc/40/47/63/177404763.db2.gz BGQXPDDEIUEBLU-SMDDNHRTSA-N 1 0 287.762 2.455 10 0 CEAERO Cc1nc(Cc2noc(CC[C@H](C)CC[NH3+])n2)cs1 ZINC000079069331 177426583 /nfs/dbraw/zinc/42/65/83/177426583.db2.gz VWIHUUDDIJIFOH-VIFPVBQESA-N 1 0 280.397 2.343 10 0 CEAERO COc1cccc(N(C)C(=O)CC[C@@H](C)CC[NH3+])c1 ZINC000079119757 177437746 /nfs/dbraw/zinc/43/77/46/177437746.db2.gz WHFWNQRHBKAPEG-GFCCVEGCSA-N 1 0 264.369 2.423 10 0 CEAERO CCC[C@H](CC[NH3+])CCC(=O)N1CCCC[C@H]1CCO ZINC000079235487 177453006 /nfs/dbraw/zinc/45/30/06/177453006.db2.gz LACMKJRWWDPCHY-GJZGRUSLSA-N 1 0 284.444 2.295 10 0 CEAERO CCC[C@@H](CC[NH3+])CCC(=O)N(C)[C@H]1CCSC1 ZINC000079236186 177453054 /nfs/dbraw/zinc/45/30/54/177453054.db2.gz OCMLHTISHUJABA-OLZOCXBDSA-N 1 0 272.458 2.496 10 0 CEAERO CCC[C@@H](CC[NH3+])CCC(=O)N[C@@H](CO)CC(C)C ZINC000079239897 177453956 /nfs/dbraw/zinc/45/39/56/177453956.db2.gz XCGXXYOFIOXODJ-ZIAGYGMSSA-N 1 0 272.433 2.055 10 0 CEAERO CCC[C@H](CC[NH3+])CCC(=O)NC[C@@H]1CCCCO1 ZINC000079240871 177454412 /nfs/dbraw/zinc/45/44/12/177454412.db2.gz QATVBKOTTYWTHV-KBPBESRZSA-N 1 0 270.417 2.217 10 0 CEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(C)[C@@H](C)C1CC1 ZINC000079253490 177458722 /nfs/dbraw/zinc/45/87/22/177458722.db2.gz HVAPGXYHJZOOMA-RYUDHWBXSA-N 1 0 255.406 2.157 10 0 CEAERO CCn1c([C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])nc2cccnc21 ZINC000079558457 177520111 /nfs/dbraw/zinc/52/01/11/177520111.db2.gz HHSGRLZJJVHJMA-DNIRFERGSA-N 1 0 256.353 2.292 10 0 CEAERO CC(C)(C)[C@H](CC[NH3+])CCC(=O)NC[C@H]1CCCO1 ZINC000079289028 177464277 /nfs/dbraw/zinc/46/42/77/177464277.db2.gz JVLKSPOIMYXYHT-QWHCGFSZSA-N 1 0 270.417 2.073 10 0 CEAERO CCC[C@@H]1CCC[N@H+](CCn2cc(N)cn2)CC1 ZINC000079301194 177466484 /nfs/dbraw/zinc/46/64/84/177466484.db2.gz MREMWJIBKPLCTG-CYBMUJFWSA-N 1 0 250.390 2.368 10 0 CEAERO CSc1ccccc1NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000079513623 177511056 /nfs/dbraw/zinc/51/10/56/177511056.db2.gz IGWLQYDAXFGDMR-ZDUSSCGKSA-N 1 0 250.367 2.489 10 0 CEAERO CCC[C@@H](COC)[NH2+]C1CCC2(CC1)OCCO2 ZINC000079740558 177548376 /nfs/dbraw/zinc/54/83/76/177548376.db2.gz YQBVNTORIMRKEH-ZDUSSCGKSA-N 1 0 257.374 2.077 10 0 CEAERO Cc1c(Cl)cnn1CCOc1ccc(CC[NH3+])cc1 ZINC000080009944 177594638 /nfs/dbraw/zinc/59/46/38/177594638.db2.gz SFVOSUWHBMBMTA-UHFFFAOYSA-N 1 0 279.771 2.425 10 0 CEAERO C[C@]1(C(=O)Nc2cccc(F)c2F)CCCC[NH2+]1 ZINC000136158162 419440622 /nfs/dbraw/zinc/44/06/22/419440622.db2.gz IJRHQCYHBVCAAM-CYBMUJFWSA-N 1 0 254.280 2.436 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000136324846 419443430 /nfs/dbraw/zinc/44/34/30/419443430.db2.gz GZXSKQGPPQORCV-JTQLQIEISA-N 1 0 298.770 2.423 10 0 CEAERO CCNC(=O)c1ccc(NC(=O)C[C@H]([NH3+])C(C)C)c(C)c1 ZINC000136370292 419445005 /nfs/dbraw/zinc/44/50/05/419445005.db2.gz JUILEUZZFLJGBZ-ZDUSSCGKSA-N 1 0 291.395 2.057 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)NCCc1c[nH]c2ccccc12 ZINC000136433970 419446132 /nfs/dbraw/zinc/44/61/32/419446132.db2.gz USELYPAQIYMQLH-AWEZNQCLSA-N 1 0 273.380 2.200 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000136383059 419446163 /nfs/dbraw/zinc/44/61/63/419446163.db2.gz QZPJXIRHNRTISM-AWEZNQCLSA-N 1 0 285.391 2.426 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)N(C)CCc1cccs1 ZINC000136486402 419446952 /nfs/dbraw/zinc/44/69/52/419446952.db2.gz IKMGPMGIDQDJCQ-GFCCVEGCSA-N 1 0 254.399 2.122 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H](OC)c1ccccc1F ZINC000262095352 270330221 /nfs/dbraw/zinc/33/02/21/270330221.db2.gz BLJOYGRTXCPUBD-LEWSCRJBSA-N 1 0 282.359 2.145 10 0 CEAERO C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000392885224 270341118 /nfs/dbraw/zinc/34/11/18/270341118.db2.gz AWHNXHKHXALREQ-BBBLOLIVSA-N 1 0 266.307 2.364 10 0 CEAERO CCn1c(C)nnc1CN1CCC(CCC[NH+](C)C)CC1 ZINC000179705751 260064028 /nfs/dbraw/zinc/06/40/28/260064028.db2.gz LPOJDQQYCFESHH-UHFFFAOYSA-N 1 0 293.459 2.160 10 0 CEAERO CCNC(=O)C[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000020039539 262226630 /nfs/dbraw/zinc/22/66/30/262226630.db2.gz BODIZCHTGKDSKS-IKMFHRHGSA-N 1 0 264.413 2.317 10 0 CEAERO Brc1ccc(N[C@@H]2CCC[NH2+]C2)nc1 ZINC000070950573 275369689 /nfs/dbraw/zinc/36/96/89/275369689.db2.gz JIORUUCSYTUVCU-SECBINFHSA-N 1 0 256.147 2.008 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(OC)c(F)c2)C1 ZINC000194343507 270297607 /nfs/dbraw/zinc/29/76/07/270297607.db2.gz JSTATUMQSZXILN-GFCCVEGCSA-N 1 0 295.358 2.440 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)CCC(=O)c2ccccc2)C1 ZINC000194625228 270301304 /nfs/dbraw/zinc/30/13/04/270301304.db2.gz CHCRJXDPGVUSGZ-OAHLLOKOSA-N 1 0 288.391 2.250 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)CCc2cccc(F)c2F)C1 ZINC000195183468 270307010 /nfs/dbraw/zinc/30/70/10/270307010.db2.gz OCSRHSGRQIDXRD-ZDUSSCGKSA-N 1 0 296.361 2.498 10 0 CEAERO CCn1cncc1C[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C ZINC000227668923 270311599 /nfs/dbraw/zinc/31/15/99/270311599.db2.gz WPIMBIXSXGEGNN-GFCCVEGCSA-N 1 0 296.415 2.296 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]C[C@H](O)C2CCC2)c1C ZINC000316292789 270334291 /nfs/dbraw/zinc/33/42/91/270334291.db2.gz ZLVGFNRAAPBEMH-YGRLFVJLSA-N 1 0 265.401 2.331 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)Nc1ccc(Br)cc1 ZINC000398641187 270360487 /nfs/dbraw/zinc/36/04/87/270360487.db2.gz XWNYBAGKMZOEDF-QMMMGPOBSA-N 1 0 286.173 2.179 10 0 CEAERO CCOC(=O)CCCCC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398761336 270362819 /nfs/dbraw/zinc/36/28/19/270362819.db2.gz HQEFGVFLDNPDEL-RRFJBIMHSA-N 1 0 283.412 2.203 10 0 CEAERO O[C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3Cc4ccccc43)C[C@H]2C1 ZINC000398771576 270363095 /nfs/dbraw/zinc/36/30/95/270363095.db2.gz HDMATWXUBYZFNK-LVQVYYBASA-N 1 0 257.377 2.419 10 0 CEAERO COC(=O)c1cccnc1C[N@@H+]1C[C@H](C)[C@@H](C)[C@H]1C ZINC000399618893 270370778 /nfs/dbraw/zinc/37/07/78/270370778.db2.gz RCPGOSQSZZOTHD-QJPTWQEYSA-N 1 0 262.353 2.345 10 0 CEAERO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1ncccc1C(=O)OC ZINC000399662207 270371213 /nfs/dbraw/zinc/37/12/13/270371213.db2.gz LOLDSSLRPGNLTJ-VXGBXAGGSA-N 1 0 262.353 2.489 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CSc3ccccc32)C1 ZINC000118330099 273808361 /nfs/dbraw/zinc/80/83/61/273808361.db2.gz XZAYIHJESMLHPM-YPMHNXCESA-N 1 0 276.405 2.038 10 0 CEAERO COCC[N@@H+]1CC[C@H]2CN(c3cccc(F)c3)C[C@@H]2C1 ZINC000503714955 274033359 /nfs/dbraw/zinc/03/33/59/274033359.db2.gz AQCISQUSDXZEJF-KBPBESRZSA-N 1 0 278.371 2.230 10 0 CEAERO Cc1sc2ncnc(N3C[C@H]([NH3+])[C@@H](C)C3)c2c1C ZINC000235728044 274879707 /nfs/dbraw/zinc/87/97/07/274879707.db2.gz VZHVBKSMGUAJHM-XVKPBYJWSA-N 1 0 262.382 2.092 10 0 CEAERO [NH3+]C[C@H]1CCCN1C(=O)[C@H]1CCCc2sccc21 ZINC000131553563 274952042 /nfs/dbraw/zinc/95/20/42/274952042.db2.gz XWARMHSOIFFLFP-PWSUYJOCSA-N 1 0 264.394 2.118 10 0 CEAERO NNc1cc(-c2ccccc2)nc(N2CCCC2)[nH+]1 ZINC000051152252 274953761 /nfs/dbraw/zinc/95/37/61/274953761.db2.gz QCOHOKGTMRIUNW-UHFFFAOYSA-N 1 0 255.325 2.029 10 0 CEAERO Brc1cnccc1N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261593418 275377766 /nfs/dbraw/zinc/37/77/66/275377766.db2.gz WUKDELZQTXVSNA-ONGXEEELSA-N 1 0 282.185 2.032 10 0 CEAERO CCC[C@@H](C(=O)OCC)[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000247153348 276021571 /nfs/dbraw/zinc/02/15/71/276021571.db2.gz UJUDRVBBYNQFRJ-GJZGRUSLSA-N 1 0 293.411 2.388 10 0 CEAERO CCC[C@H](C(=O)N[C@H]1CCOc2c(F)cccc21)[NH+](C)C ZINC000189021753 276039022 /nfs/dbraw/zinc/03/90/22/276039022.db2.gz FSECNEBMNOBOEV-UONOGXRCSA-N 1 0 294.370 2.496 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1c(C)nsc1NC ZINC000176964185 276181410 /nfs/dbraw/zinc/18/14/10/276181410.db2.gz CXDQERDGWHYMHJ-NSHDSACASA-N 1 0 296.440 2.050 10 0 CEAERO CCN1CCC[C@](O)(C[N@@H+]2CCC[C@H]2c2ccncc2)C1 ZINC000253388858 276187919 /nfs/dbraw/zinc/18/79/19/276187919.db2.gz GKAZWMNTJLDKBU-DLBZAZTESA-N 1 0 289.423 2.065 10 0 CEAERO CC1CC[NH+](CCCNC(=O)[C@@H]2CCCO[C@@H]2C)CC1 ZINC000191229565 276196718 /nfs/dbraw/zinc/19/67/18/276196718.db2.gz WWVQMGFMMIIRQC-HUUCEWRRSA-N 1 0 282.428 2.040 10 0 CEAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCC13CCCC3)CC2 ZINC000189161990 276694993 /nfs/dbraw/zinc/69/49/93/276694993.db2.gz BCPIFTXBLTZKAS-STQMWFEESA-N 1 0 274.412 2.468 10 0 CEAERO C[NH+](C)C[C@H]1CN(Cc2c(F)cccc2Cl)CCO1 ZINC000128142719 276806555 /nfs/dbraw/zinc/80/65/55/276806555.db2.gz PXMLMXMWFAFXEU-NSHDSACASA-N 1 0 286.778 2.242 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)/C=C/c2ccc3ccccc3n2)C1 ZINC000170861246 276871796 /nfs/dbraw/zinc/87/17/96/276871796.db2.gz FFOOEIJFBSEVHB-SCOAYWHSSA-N 1 0 295.386 2.411 10 0 CEAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CC[C@@H]1CCC[N@@H+]1C ZINC000248030709 277105719 /nfs/dbraw/zinc/10/57/19/277105719.db2.gz KHBUPAHPTJMTPD-JONQDZQNSA-N 1 0 294.439 2.277 10 0 CEAERO CC(=O)c1ccc(N[C@H]2C[N@H+](C(C)C)C[C@H]2C)nc1 ZINC000181212800 277113103 /nfs/dbraw/zinc/11/31/03/277113103.db2.gz IGTJRBJVFOZURB-RISCZKNCSA-N 1 0 261.369 2.425 10 0 CEAERO CN1CCO[C@@H](C[NH2+][C@H]2CCc3c2cccc3Cl)C1 ZINC000246516923 277120066 /nfs/dbraw/zinc/12/00/66/277120066.db2.gz BYFMXRXMBVOZST-NHYWBVRUSA-N 1 0 280.799 2.248 10 0 CEAERO COC1(C[N@@H+]2CCN3CCCC[C@H]3C2)CCCC1 ZINC000336796641 277185094 /nfs/dbraw/zinc/18/50/94/277185094.db2.gz UTBKEDHIVDWVOU-AWEZNQCLSA-N 1 0 252.402 2.116 10 0 CEAERO CN1c2ccccc2[C@H]([NH2+]CC2CCOCC2)CC1=O ZINC000111153881 277218676 /nfs/dbraw/zinc/21/86/76/277218676.db2.gz VMABGLUUROYQKW-CQSZACIVSA-N 1 0 274.364 2.110 10 0 CEAERO COCCn1c(N)[nH+]cc1-c1ccc(Cl)cc1 ZINC000004678838 277242646 /nfs/dbraw/zinc/24/26/46/277242646.db2.gz MHILWEBJKVUJIT-UHFFFAOYSA-N 1 0 251.717 2.432 10 0 CEAERO COc1cccc2c1CC[C@@H]([NH2+][C@@H]1CCCn3ncnc31)C2 ZINC000192444365 278032499 /nfs/dbraw/zinc/03/24/99/278032499.db2.gz RLINFABYJSENNL-UKRRQHHQSA-N 1 0 298.390 2.269 10 0 CEAERO C[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000188220605 278051607 /nfs/dbraw/zinc/05/16/07/278051607.db2.gz VJTHWSNNGWHHBR-XHSDSOJGSA-N 1 0 294.439 2.136 10 0 CEAERO C[C@H](O)C[N@@H+]1CCN([C@@H](C)c2c(F)cccc2F)C[C@H]1C ZINC000247558807 278295101 /nfs/dbraw/zinc/29/51/01/278295101.db2.gz FTPPGVAFNLFNEJ-AGIUHOORSA-N 1 0 298.377 2.413 10 0 CEAERO C[C@@H]([NH3+])[C@H]1CCN(c2ccnc(C(F)(F)F)c2)C1 ZINC000261581593 278318535 /nfs/dbraw/zinc/31/85/35/278318535.db2.gz QTRVUTKMVPNWEY-BDAKNGLRSA-N 1 0 259.275 2.274 10 0 CEAERO C[C@H]1CCN(c2ncccc2Br)[C@@H](C[NH3+])C1 ZINC000235632308 278371108 /nfs/dbraw/zinc/37/11/08/278371108.db2.gz AVABBXXTFJRIFF-VHSXEESVSA-N 1 0 284.201 2.408 10 0 CEAERO CC(C)(C[NH3+])C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000122960877 278609517 /nfs/dbraw/zinc/60/95/17/278609517.db2.gz YRCIEHDPLGSSRO-UHFFFAOYSA-N 1 0 266.307 2.209 10 0 CEAERO CC(C)C(=O)N1CCC([NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000085634932 278670166 /nfs/dbraw/zinc/67/01/66/278670166.db2.gz SBBFFLNNRYTBDE-KKUMJFAQSA-N 1 0 294.439 2.037 10 0 CEAERO C[C@@H]1CN(Cc2cc(Cl)cc3c2OCC3)C[C@@H]1[NH3+] ZINC000235399500 278774682 /nfs/dbraw/zinc/77/46/82/278774682.db2.gz KTOPMVMCCIKRAP-RNCFNFMXSA-N 1 0 266.772 2.054 10 0 CEAERO C[C@@H]1CN(c2ncccc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000094342464 278816387 /nfs/dbraw/zinc/81/63/87/278816387.db2.gz HKBRTQLBKWBJFY-SCZZXKLOSA-N 1 0 259.275 2.274 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000111263074 278842454 /nfs/dbraw/zinc/84/24/54/278842454.db2.gz CIQVRZXMFVYPCD-LDYMZIIASA-N 1 0 272.270 2.499 10 0 CEAERO CC[C@H]([NH2+][C@H](CC(C)C)CN(C)C)[C@H]1CCOC1 ZINC000336785753 288084096 /nfs/dbraw/zinc/08/40/96/288084096.db2.gz FXQXLZWWQCHRJZ-ZNMIVQPWSA-N 1 0 256.434 2.367 10 0 CEAERO C[C@@H]1C[C@@H]([NH2+]CC2(S(C)(=O)=O)CC2)CC(C)(C)C1 ZINC000355429024 278917710 /nfs/dbraw/zinc/91/77/10/278917710.db2.gz XGDBTFUQCQDWMS-VXGBXAGGSA-N 1 0 273.442 2.368 10 0 CEAERO Cc1cnn(-c2ccc(C(=O)N[C@@H]3CCC[C@@H]3C[NH3+])cc2)c1 ZINC000237916456 279029115 /nfs/dbraw/zinc/02/91/15/279029115.db2.gz IKTXODKFGFBQKA-GDBMZVCRSA-N 1 0 298.390 2.038 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+][C@H]2CCCC[C@@H]2C)C1 ZINC000263466683 279059709 /nfs/dbraw/zinc/05/97/09/279059709.db2.gz CTWOJDVEVJDUKP-ABXWRUBCSA-N 1 0 268.401 2.092 10 0 CEAERO CC(C)C[C@H](C)OCCC(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000158018568 279116541 /nfs/dbraw/zinc/11/65/41/279116541.db2.gz SWWCIJJKTQRUSH-BFHYXJOUSA-N 1 0 270.417 2.071 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)[C@@H]1CCSC1 ZINC000123031430 279122704 /nfs/dbraw/zinc/12/27/04/279122704.db2.gz CIPOCZWHBXLHAI-CHWSQXEVSA-N 1 0 287.473 2.110 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1COc2ccccc21 ZINC000113156320 279130767 /nfs/dbraw/zinc/13/07/67/279130767.db2.gz FKYBSECRASLUNX-UKRRQHHQSA-N 1 0 290.407 2.255 10 0 CEAERO Cc1sc2ncnc(N(C)[C@H]3CC[NH2+]C3)c2c1C ZINC000071311776 279287571 /nfs/dbraw/zinc/28/75/71/279287571.db2.gz RIDBSEGSKAKEPV-JTQLQIEISA-N 1 0 262.382 2.106 10 0 CEAERO CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NCC[C@@H](C)[NH3+] ZINC000262529948 288136930 /nfs/dbraw/zinc/13/69/30/288136930.db2.gz GJZCWOZFWQDIJD-SYQHCUMBSA-N 1 0 270.417 2.214 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCCc2sccc21 ZINC000227180682 279641990 /nfs/dbraw/zinc/64/19/90/279641990.db2.gz HTOPMTCSAVSBNE-CYZMBNFOSA-N 1 0 278.421 2.412 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCCC1CC1 ZINC000073722186 279665161 /nfs/dbraw/zinc/66/51/61/279665161.db2.gz MWBQILTXKFXADV-CYBMUJFWSA-N 1 0 255.406 2.062 10 0 CEAERO COCc1cc([C@H](C)[NH2+]CC2CC(O)C2)ccc1OC ZINC000091415794 279708539 /nfs/dbraw/zinc/70/85/39/279708539.db2.gz BYPXZZUFMLHOQL-BZUNDVKYSA-N 1 0 279.380 2.263 10 0 CEAERO CCCn1c(C[NH2+]CC2CC(O)C2)nc2ccccc21 ZINC000091423442 279708614 /nfs/dbraw/zinc/70/86/14/279708614.db2.gz UWBHPYJWUAFCLB-UHFFFAOYSA-N 1 0 273.380 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1 0 267.756 2.135 10 0 CEAERO Cc1c(Cl)cccc1C(=O)N1CCC[C@H]1C[NH3+] ZINC000219875328 280231833 /nfs/dbraw/zinc/23/18/33/280231833.db2.gz XUPVBPHTKHGAFH-JTQLQIEISA-N 1 0 252.745 2.212 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000245716520 280257981 /nfs/dbraw/zinc/25/79/81/280257981.db2.gz UENKAHDZUFMIIC-LXTVHRRPSA-N 1 0 299.459 2.218 10 0 CEAERO CCC[C@H]1CN(C(=O)N[C@H](C)C(C)C)CC[N@@H+]1CCOC ZINC000245876895 280263774 /nfs/dbraw/zinc/26/37/74/280263774.db2.gz HPZUGMKATXBQPA-CABCVRRESA-N 1 0 299.459 2.173 10 0 CEAERO Cc1c2ccccc2oc1C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000335500772 280272561 /nfs/dbraw/zinc/27/25/61/280272561.db2.gz PZOITAQDWAZYNE-ZYHUDNBSSA-N 1 0 258.321 2.303 10 0 CEAERO Cc1cc(Br)cnc1N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261554897 280311818 /nfs/dbraw/zinc/31/18/18/280311818.db2.gz PHVDPQUMUBNICE-DLOVCJGASA-N 1 0 296.212 2.326 10 0 CEAERO CC(C)[C@H](C)NC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246997670 280317066 /nfs/dbraw/zinc/31/70/66/280317066.db2.gz KNGZWTUVMLMTNP-RWMBFGLXSA-N 1 0 255.406 2.203 10 0 CEAERO COC[C@@H](C)C[N@@H+]1CCCN(Cc2csc(C)n2)CC1 ZINC000249204642 280388769 /nfs/dbraw/zinc/38/87/69/280388769.db2.gz VLLQNLOYLMSTSJ-ZDUSSCGKSA-N 1 0 297.468 2.242 10 0 CEAERO CC[C@@](C)(O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000249302719 280392261 /nfs/dbraw/zinc/39/22/61/280392261.db2.gz CHRZCOALPZZKAP-SWLSCSKDSA-N 1 0 286.416 2.089 10 0 CEAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC[C@H]1CCCO1 ZINC000249494036 280399887 /nfs/dbraw/zinc/39/98/87/280399887.db2.gz VUFWEGNCMPWBLH-YJNKXOJESA-N 1 0 281.396 2.362 10 0 CEAERO Cc1cc(NC[C@@H]2CCC[NH2+]2)ncc1Br ZINC000163954910 280626708 /nfs/dbraw/zinc/62/67/08/280626708.db2.gz YFVRNHIHUWRXKD-VIFPVBQESA-N 1 0 270.174 2.316 10 0 CEAERO Cc1ccc(C)c(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000118786380 280797222 /nfs/dbraw/zinc/79/72/22/280797222.db2.gz GAGNUZIVOHJVFJ-CQSZACIVSA-N 1 0 291.395 2.098 10 0 CEAERO Cc1ccccc1OCCCC(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000423658030 281075968 /nfs/dbraw/zinc/07/59/68/281075968.db2.gz CRUZDLPNOIZOLF-ZIAGYGMSSA-N 1 0 276.380 2.102 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(F)ccc1O ZINC000246471168 281198396 /nfs/dbraw/zinc/19/83/96/281198396.db2.gz OLBHTKRZLDRUFT-STQMWFEESA-N 1 0 292.354 2.230 10 0 CEAERO Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000261991394 281343908 /nfs/dbraw/zinc/34/39/08/281343908.db2.gz STKARNUDEDGPQL-ZACQAIPSSA-N 1 0 274.408 2.242 10 0 CEAERO Cc1csc2c1ncnc2N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000261548441 281746262 /nfs/dbraw/zinc/74/62/62/281746262.db2.gz AXYHTSXBHIATBP-UWVGGRQHSA-N 1 0 262.382 2.173 10 0 CEAERO Cc1nc2cc(NC(=O)[C@H]3CCC[NH2+][C@H]3C)ccc2o1 ZINC000335595645 282054117 /nfs/dbraw/zinc/05/41/17/282054117.db2.gz GLVOHLYAXZLVFY-CABZTGNLSA-N 1 0 273.336 2.463 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@H]2CCCO2)c1C ZINC000045167763 288756409 /nfs/dbraw/zinc/75/64/09/288756409.db2.gz DUWWGBIPJDWSBO-GXFFZTMASA-N 1 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/nfs/dbraw/zinc/76/48/17/289764817.db2.gz XQNIQKUXMIHCDG-JTQLQIEISA-N 1 0 276.336 2.404 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1Nc1ccc(Br)cn1 ZINC000084212693 295273651 /nfs/dbraw/zinc/27/36/51/295273651.db2.gz SWXXZILDCWPQBZ-PSASIEDQSA-N 1 0 270.174 2.383 10 0 CEAERO [NH3+]Cc1ccc(C(=O)N[C@@H]2CCO[C@@H]2c2ccccc2)cc1 ZINC000237984062 295278319 /nfs/dbraw/zinc/27/83/19/295278319.db2.gz JGWXJTSPNMGMBB-IAGOWNOFSA-N 1 0 296.370 2.405 10 0 CEAERO [NH3+][C@H]1CC[C@@H](C(=O)NC2CCC(C(F)(F)F)CC2)C1 ZINC000091544520 295340815 /nfs/dbraw/zinc/34/08/15/295340815.db2.gz FXWMMPXDXMHYCN-VKAADOFISA-N 1 0 278.318 2.351 10 0 CEAERO C[C@@H]1COC[C@@H](C)[NH+]1CCCOCC(F)(F)F ZINC000077369897 297148796 /nfs/dbraw/zinc/14/87/96/297148796.db2.gz VOGAEZUOKLGFIU-NXEZZACHSA-N 1 0 255.280 2.065 10 0 CEAERO CCC[C@H](C(=O)Nc1ccc(-c2nc[nH]n2)cc1)[NH+](C)C ZINC000162098135 297449849 /nfs/dbraw/zinc/44/98/49/297449849.db2.gz HFUGCGUJOBAXBN-CYBMUJFWSA-N 1 0 287.367 2.141 10 0 CEAERO COc1nc(N(C)C)sc1C[NH2+]C[C@@H](C)CSC ZINC000069436343 524976201 /nfs/dbraw/zinc/97/62/01/524976201.db2.gz XLCAFSPNBDLSMR-SECBINFHSA-N 1 0 289.470 2.306 10 0 CEAERO CCc1nc(C)c(CN[C@@H](C)[C@H]2CCC[NH2+]C2)o1 ZINC000562956908 298725546 /nfs/dbraw/zinc/72/55/46/298725546.db2.gz ALFFBQLRXULOSF-JQWIXIFHSA-N 1 0 251.374 2.023 10 0 CEAERO O=C(CC[NH2+]C1CC1)N1CCCC[C@@H]1c1nccs1 ZINC000565667914 298916956 /nfs/dbraw/zinc/91/69/56/298916956.db2.gz XFAZUJPYNCNLRB-GFCCVEGCSA-N 1 0 279.409 2.339 10 0 CEAERO C[C@H]1C[C@H](NC(=O)N2CC[C@H]([NH+](C)C)C2)C[C@@H](C)C1 ZINC000246776263 300512137 /nfs/dbraw/zinc/51/21/37/300512137.db2.gz BUKCLRAFRIXQBO-DGAVXFQQSA-N 1 0 267.417 2.157 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+]CC2(CO)CCCC2)C12CCOCC2 ZINC000186478939 321750719 /nfs/dbraw/zinc/75/07/19/321750719.db2.gz WDTFAVYMWKOJBL-CABCVRRESA-N 1 0 297.439 2.103 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCCc1cccc(Cl)c1 ZINC000384480472 321852533 /nfs/dbraw/zinc/85/25/33/321852533.db2.gz PRUYYCLZPVSUJC-RISCZKNCSA-N 1 0 280.799 2.387 10 0 CEAERO CCc1nc(CN(C)C(=O)[C@@]2(C)CCCC[NH2+]2)cs1 ZINC000393245325 329085267 /nfs/dbraw/zinc/08/52/67/329085267.db2.gz SFCMDKORIFQADB-CQSZACIVSA-N 1 0 281.425 2.196 10 0 CEAERO CC(=O)c1sc(N2CCC[C@@H]2C[NH+](C)C)nc1C ZINC000061655422 518497519 /nfs/dbraw/zinc/49/75/19/518497519.db2.gz NZVHNNARVGAFHJ-LLVKDONJSA-N 1 0 267.398 2.185 10 0 CEAERO CC(C)(C)[NH2+]Cc1nnnn1Cc1ccc(Cl)cc1 ZINC000054745166 518770113 /nfs/dbraw/zinc/77/01/13/518770113.db2.gz RGRKJWVLVJIKGD-UHFFFAOYSA-N 1 0 279.775 2.263 10 0 CEAERO CC(C)C[NH+]1CCN(c2c(N)ccc(F)c2F)CC1 ZINC000055085638 519728378 /nfs/dbraw/zinc/72/83/78/519728378.db2.gz AHIPNLNVXWMQQE-UHFFFAOYSA-N 1 0 269.339 2.325 10 0 CEAERO CC(C)[NH2+][C@H](CC[N@H+](C)CC1CCCCC1)C(=O)[O-] ZINC000062526693 519737827 /nfs/dbraw/zinc/73/78/27/519737827.db2.gz WCGGCKZCIRRKJK-CQSZACIVSA-N 1 0 270.417 2.340 10 0 CEAERO CC(C)[NH2+][C@H](CC[N@H+](C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000062456670 519738114 /nfs/dbraw/zinc/73/81/14/519738114.db2.gz JUIZLCUGAOALBZ-NWDGAFQWSA-N 1 0 258.406 2.194 10 0 CEAERO CC(C)C[NH2+]CC1(CN2CCSCC2)CCOCC1 ZINC000052181131 519742937 /nfs/dbraw/zinc/74/29/37/519742937.db2.gz ROFOHLSDVQERTL-UHFFFAOYSA-N 1 0 286.485 2.078 10 0 CEAERO CC(C)C[NH2+]C[C@@H]1CC[C@@H](COC[C@@H]2CCCCO2)O1 ZINC000052605259 519745355 /nfs/dbraw/zinc/74/53/55/519745355.db2.gz MEDKXVUCBJHGNC-JYJNAYRXSA-N 1 0 285.428 2.365 10 0 CEAERO CC(C)C[NH2+]Cc1nnnn1C[C@H]1CCCC[C@H]1C ZINC000054746962 519748662 /nfs/dbraw/zinc/74/86/62/519748662.db2.gz JTJKSRGLVFUCSW-CHWSQXEVSA-N 1 0 265.405 2.245 10 0 CEAERO CC(C)C[NH2+]Cc1nnnn1Cc1cccc(Cl)c1 ZINC000054746588 519748906 /nfs/dbraw/zinc/74/89/06/519748906.db2.gz JLRCUDDQHYQPFX-UHFFFAOYSA-N 1 0 279.775 2.120 10 0 CEAERO CC(C)[C@@H]1CN(C[C@@H]2CCCO2)[C@@H](C(C)C)C[NH2+]1 ZINC000062625513 519804337 /nfs/dbraw/zinc/80/43/37/519804337.db2.gz XEWDXRVZFGXOCG-SOUVJXGZSA-N 1 0 254.418 2.120 10 0 CEAERO CC(C)[C@H](C)[N@H+](C)Cc1cccnc1C(N)=S ZINC000061659747 519811825 /nfs/dbraw/zinc/81/18/25/519811825.db2.gz JRRPWSIKVZOCQO-JTQLQIEISA-N 1 0 251.399 2.192 10 0 CEAERO CCCNC(=O)[C@H](C)Oc1cc(F)ccc1[C@@H](C)[NH3+] ZINC000062745687 519893484 /nfs/dbraw/zinc/89/34/84/519893484.db2.gz HYXIUJUWAKCESG-ZJUUUORDSA-N 1 0 268.332 2.139 10 0 CEAERO CC[NH2+]CCC(=O)N[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000061292881 519916678 /nfs/dbraw/zinc/91/66/78/519916678.db2.gz QNXQHHLFADSAKK-NXEZZACHSA-N 1 0 266.307 2.223 10 0 CEAERO CC[NH2+]CCC[C@H](C)Oc1ccc(S(C)(=O)=O)cc1 ZINC000052702178 519920020 /nfs/dbraw/zinc/92/00/20/519920020.db2.gz MVHJSWMDQRDUQG-LBPRGKRZSA-N 1 0 285.409 2.247 10 0 CEAERO CCCN[C@@H](CC[N@@H+]1CCCCC[C@@H]1C)C(=O)OC ZINC000069549643 519997980 /nfs/dbraw/zinc/99/79/80/519997980.db2.gz SBBPVMLWGGTVKA-KBPBESRZSA-N 1 0 270.417 2.182 10 0 CEAERO CC[NH2+]Cc1cnc(N2CCCSCC2)s1 ZINC000054909465 520016332 /nfs/dbraw/zinc/01/63/32/520016332.db2.gz CJRJAFXEVRHVPJ-UHFFFAOYSA-N 1 0 257.428 2.196 10 0 CEAERO CCN(C(=O)c1cc(C)ccc1F)C1CC[NH2+]CC1 ZINC000052998611 520062400 /nfs/dbraw/zinc/06/24/00/520062400.db2.gz OVKNAMDMCHLGKI-UHFFFAOYSA-N 1 0 264.344 2.348 10 0 CEAERO CCC[NH2+][C@H](CC[N@H+](C)C1CCC(C)CC1)C(=O)[O-] ZINC000062525121 520068532 /nfs/dbraw/zinc/06/85/32/520068532.db2.gz ASXWHLKLDCKORI-JXQTWKCFSA-N 1 0 270.417 2.340 10 0 CEAERO CCC[NH2+][C@H](CC[N@@H+]1CCCC[C@@H]1CC)C(=O)[O-] ZINC000062446145 520075133 /nfs/dbraw/zinc/07/51/33/520075133.db2.gz HBWFIAWIRXMYQF-QWHCGFSZSA-N 1 0 256.390 2.094 10 0 CEAERO CCCN[C@H](CC[N@@H+]1CCC[C@H](CC)C1)C(=O)OC ZINC000062449790 520073556 /nfs/dbraw/zinc/07/35/56/520073556.db2.gz LSDCWSXTIOXFBP-UONOGXRCSA-N 1 0 270.417 2.040 10 0 CEAERO CCC[NH2+][C@H](CS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000052789274 520084832 /nfs/dbraw/zinc/08/48/32/520084832.db2.gz PBPHBOUSDDJDSE-GFCCVEGCSA-N 1 0 275.801 2.425 10 0 CEAERO CCN[C@@](C)(C[C@@H](C)[N@H+](C)[C@@H](C)C1CC1)C(=O)OCC ZINC000068625509 520138403 /nfs/dbraw/zinc/13/84/03/520138403.db2.gz QQTGPDMVKUSPLP-WWGRRREGSA-N 1 0 284.444 2.427 10 0 CEAERO CCN[C@@](C)(C[C@H](C)[N@@H+]1CCC[C@H](C(C)C)CC1)C(N)=O ZINC000068648123 520144752 /nfs/dbraw/zinc/14/47/52/520144752.db2.gz BZUDOFCBFNNCQD-ZOBUZTSGSA-N 1 0 297.487 2.377 10 0 CEAERO CC[NH2+][C@@](C)(C[C@H](C)Sc1cccc(OC)c1)C(N)=O ZINC000068634264 520147937 /nfs/dbraw/zinc/14/79/37/520147937.db2.gz NFAITBODKLDVJJ-NHYWBVRUSA-N 1 0 296.436 2.419 10 0 CEAERO CCCCC[N@H+](C)CC[C@@H](NCC)C(=O)OCC ZINC000062447442 520148204 /nfs/dbraw/zinc/14/82/04/520148204.db2.gz BUWGIWZYADLSCK-CYBMUJFWSA-N 1 0 258.406 2.040 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)NCc1ccc(Br)cc1 ZINC000061269172 520165257 /nfs/dbraw/zinc/16/52/57/520165257.db2.gz MQVVGAYHMWAFHQ-SNVBAGLBSA-N 1 0 299.212 2.453 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(S(=O)(=O)N[C@@H]2C[C@@H]2C)cc1 ZINC000052295366 520179569 /nfs/dbraw/zinc/17/95/69/520179569.db2.gz BSQUBTVIWKYNRR-MISXGVKJSA-N 1 0 282.409 2.044 10 0 CEAERO CCN[C@H](CC[N@H+](C)C(CC)CC)C(=O)OCC ZINC000062448805 520184527 /nfs/dbraw/zinc/18/45/27/520184527.db2.gz YHJLAQDNYOZKRJ-CYBMUJFWSA-N 1 0 258.406 2.038 10 0 CEAERO CC[NH2+][C@H](CC)c1ccccc1OC[C@@H](O)COC 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CC(C)OC[C@@H](O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000070192000 519772286 /nfs/dbraw/zinc/77/22/86/519772286.db2.gz IETXUGMSJSASDE-ZNMIVQPWSA-N 1 0 255.402 2.284 10 0 CEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)CCc1cccc(N)c1 ZINC000049561759 519775230 /nfs/dbraw/zinc/77/52/30/519775230.db2.gz QZFGMCDVXZMFED-INIZCTEOSA-N 1 0 291.439 2.294 10 0 CEAERO CC(C)Oc1ccc([C@H]([NH3+])CN2C[C@@H](C)CC2=O)cc1 ZINC000062816486 519781919 /nfs/dbraw/zinc/78/19/19/519781919.db2.gz DRCAZUDQYXMYNF-SWLSCSKDSA-N 1 0 276.380 2.342 10 0 CEAERO CC(C)Oc1cccc(C(=O)N2CCC([NH3+])CC2)c1 ZINC000061665786 519782262 /nfs/dbraw/zinc/78/22/62/519782262.db2.gz VSSHDPMXGGKSIM-UHFFFAOYSA-N 1 0 262.353 2.037 10 0 CEAERO CC(C)[C@@]1(C)CC(=O)N([C@H]2CCCCC[C@@H]2[NH3+])C1=O ZINC000063214938 519808469 /nfs/dbraw/zinc/80/84/69/519808469.db2.gz QKIKAPVLNMMITP-SLEUVZQESA-N 1 0 266.385 2.068 10 0 CEAERO CC(C)[C@H](CN(C)C)[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000049197328 519814625 /nfs/dbraw/zinc/81/46/25/519814625.db2.gz FWAWHNWYXOMZRY-INIZCTEOSA-N 1 0 287.407 2.204 10 0 CEAERO CC(C)[C@H](CNC(=O)c1cccc(F)c1F)[NH+](C)C ZINC000054214586 519815707 /nfs/dbraw/zinc/81/57/07/519815707.db2.gz ZMKYZFFJXUWNMF-LBPRGKRZSA-N 1 0 270.323 2.281 10 0 CEAERO CC(C)[C@H]1CN(Cc2ncccn2)C2(CCCC2)C[NH2+]1 ZINC000068704639 519827002 /nfs/dbraw/zinc/82/70/02/519827002.db2.gz GICSAEKRLMTFTI-CQSZACIVSA-N 1 0 274.412 2.219 10 0 CEAERO CC(C)c1ccccc1NC(=O)CN1CC[C@H](C)[C@@H]([NH3+])C1 ZINC000070147041 519845136 /nfs/dbraw/zinc/84/51/36/519845136.db2.gz KOPZPGGWTDZNMI-ZFWWWQNUSA-N 1 0 289.423 2.418 10 0 CEAERO CCC[NH+]1CCC([C@@H](C)N[C@H](C)C(=O)OCC)CC1 ZINC000049369784 519847608 /nfs/dbraw/zinc/84/76/08/519847608.db2.gz XCUDBVYLEUURKC-CHWSQXEVSA-N 1 0 270.417 2.038 10 0 CEAERO CCC[NH+]1CCC(Nc2nccn(C(C)C)c2=O)CC1 ZINC000061765386 519847912 /nfs/dbraw/zinc/84/79/12/519847912.db2.gz WLWGWNUSULTXTM-UHFFFAOYSA-N 1 0 278.400 2.111 10 0 CEAERO CCC1CCC(CN)([N@H+](C)CCCCCO)CC1 ZINC000051020381 519850696 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CCN(C(=O)[C@@H](C)[NH2+]C)[C@@H](C)c1ccc(F)cc1 ZINC000054075259 520012626 /nfs/dbraw/zinc/01/26/26/520012626.db2.gz LJUQVHJVVHKKGI-MNOVXSKESA-N 1 0 252.333 2.343 10 0 CEAERO CCC[NH2+][C@@H](c1ccc2c(c1)CCO2)[C@@H]1COCCO1 ZINC000055300470 520017218 /nfs/dbraw/zinc/01/72/18/520017218.db2.gz BUQASXQQETVKCR-HOTGVXAUSA-N 1 0 277.364 2.078 10 0 CEAERO CC[NH2+]Cc1nc(-c2nccc3ccccc32)no1 ZINC000069312239 520021542 /nfs/dbraw/zinc/02/15/42/520021542.db2.gz AVSIDJWVSMUVFC-UHFFFAOYSA-N 1 0 254.293 2.394 10 0 CEAERO CC[NH2+]Cc1occc1CN(C)CC(F)(F)F ZINC000052483290 520029605 /nfs/dbraw/zinc/02/96/05/520029605.db2.gz SVYYYLOKAPHEEA-UHFFFAOYSA-N 1 0 250.264 2.383 10 0 CEAERO CC[NH2+]Cc1occc1Cn1nnc2ccccc21 ZINC000052576610 520031666 /nfs/dbraw/zinc/03/16/66/520031666.db2.gz BGZIYYZCUQKBSP-UHFFFAOYSA-N 1 0 256.309 2.182 10 0 CEAERO CC[NH2+]Cc1sc(N2CCOC[C@@H]2CC)nc1CC ZINC000054997926 520034519 /nfs/dbraw/zinc/03/45/19/520034519.db2.gz FZHUHIFPGKSAAZ-NSHDSACASA-N 1 0 283.441 2.430 10 0 CEAERO CCCN[C@@](C)(C[N@H+](C)C(C)(C)CC)C(=O)OC ZINC000069446651 520036668 /nfs/dbraw/zinc/03/66/68/520036668.db2.gz XJIBBLFUSBEWQJ-AWEZNQCLSA-N 1 0 258.406 2.038 10 0 CEAERO CCC[NH2+][C@@](C)(CCN(C)c1cc(C)cc(C)c1)C(N)=O ZINC000049989682 520037251 /nfs/dbraw/zinc/03/72/51/520037251.db2.gz ABXMSDRVVLPPRM-KRWDZBQOSA-N 1 0 291.439 2.373 10 0 CEAERO CCC[NH2+][C@@](C)(C[C@@H](C)[NH+]1CCCCC1)C(=O)[O-] ZINC000068620368 520041105 /nfs/dbraw/zinc/04/11/05/520041105.db2.gz SEKPGRBXDUAMDF-OCCSQVGLSA-N 1 0 256.390 2.094 10 0 CEAERO CCC[NH2+][C@H](C)CCCCN1C(=O)[C@@H]2[C@H](C1=O)C2(C)C ZINC000068689231 520061409 /nfs/dbraw/zinc/06/14/09/520061409.db2.gz KQKKLKIZTZWQDA-UPJWGTAASA-N 1 0 280.412 2.186 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1sccc1C(=O)OCC ZINC000061273855 520070598 /nfs/dbraw/zinc/07/05/98/520070598.db2.gz QTQRVVCPRVPTFA-VIFPVBQESA-N 1 0 284.381 2.251 10 0 CEAERO CCN(C(=O)c1ccc(Br)cc1)[C@H]1CC[NH2+]C1 ZINC000058233855 520077000 /nfs/dbraw/zinc/07/70/00/520077000.db2.gz OSWBJWBWBGGRKO-LBPRGKRZSA-N 1 0 297.196 2.273 10 0 CEAERO CCC[NH2+][C@H](CCSc1ccc(F)cc1)C(N)=O ZINC000062598867 520079304 /nfs/dbraw/zinc/07/93/04/520079304.db2.gz ZBNNLAPXPMSOTP-GFCCVEGCSA-N 1 0 270.373 2.161 10 0 CEAERO CCC[NH2+][C@H]1CCc2c1cccc2OC[C@H](C)C(N)=O ZINC000062800041 520097466 /nfs/dbraw/zinc/09/74/66/520097466.db2.gz VJTUBAZZXQGJIV-FZMZJTMJSA-N 1 0 276.380 2.174 10 0 CEAERO CC[NH2+][C@@H](c1ccc2c(c1)n(C)c(=O)n2C)C(C)C ZINC000051392601 520111192 /nfs/dbraw/zinc/11/11/92/520111192.db2.gz ZECRCZVKRRSFGV-CQSZACIVSA-N 1 0 261.369 2.184 10 0 CEAERO CCC[NH2+][C@](C)(C[C@H](C)Oc1ccccc1OC)C(N)=O ZINC000068656632 520114260 /nfs/dbraw/zinc/11/42/60/520114260.db2.gz FJWPWOJHNPCCOD-BLLLJJGKSA-N 1 0 294.395 2.096 10 0 CEAERO CCCN[C@](C)(C[C@H](C)[N@H+](C)[C@@H](C)CC(C)C)C(N)=O ZINC000068636765 520115260 /nfs/dbraw/zinc/11/52/60/520115260.db2.gz CZKHFRUFZMFISR-OFQRWUPVSA-N 1 0 285.476 2.375 10 0 CEAERO CCCN[C@](C[N@H+](C)CC1CCCCC1)(C(N)=O)C1CC1 ZINC000069183944 520117756 /nfs/dbraw/zinc/11/77/56/520117756.db2.gz APEFRAUXSIOGNC-KRWDZBQOSA-N 1 0 295.471 2.132 10 0 CEAERO CC[NH2+][C@@H]1COc2cc(OC[C@@H]3CCOC3)ccc21 ZINC000062804579 520124263 /nfs/dbraw/zinc/12/42/63/520124263.db2.gz GOMMEGAXTUNWSY-BXUZGUMPSA-N 1 0 263.337 2.145 10 0 CEAERO CCOC[C@H](O)C[NH2+]C[C@@H](c1ccccc1)N(CC)CC ZINC000069277063 520159782 /nfs/dbraw/zinc/15/97/82/520159782.db2.gz WVTZLERYNXYKML-SJORKVTESA-N 1 0 294.439 2.057 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)NCCCN(CC)c1ccccc1 ZINC000061273799 520165767 /nfs/dbraw/zinc/16/57/67/520165767.db2.gz RMKYMTAGXJKNLJ-OAHLLOKOSA-N 1 0 291.439 2.407 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N[C@H](C)c1cc(F)ccc1OC ZINC000061271187 520166619 /nfs/dbraw/zinc/16/66/19/520166619.db2.gz ZCNVUSGBQDVPTH-GHMZBOCLSA-N 1 0 282.359 2.400 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000061273565 520168260 /nfs/dbraw/zinc/16/82/60/520168260.db2.gz PBSDHUNZASGRCI-GHMZBOCLSA-N 1 0 252.333 2.391 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1ccccc1-c1n[nH]c(C)n1 ZINC000061270669 520171006 /nfs/dbraw/zinc/17/10/06/520171006.db2.gz HCFMYDCGLKTWTI-SNVBAGLBSA-N 1 0 287.367 2.107 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000061270942 520171817 /nfs/dbraw/zinc/17/18/17/520171817.db2.gz UEEGHLXDBXFGEI-GFCCVEGCSA-N 1 0 284.363 2.470 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1ccccc1[C@H](C)O ZINC000061274208 520172403 /nfs/dbraw/zinc/17/24/03/520172403.db2.gz KGCDLLJXGXPMMG-MNOVXSKESA-N 1 0 250.342 2.067 10 0 CEAERO CCCCC[N@H+](C[C@](NCC)(C(N)=O)C1CC1)C(C)C ZINC000069132307 520174444 /nfs/dbraw/zinc/17/44/44/520174444.db2.gz PIZHPPIWLDCUPK-MRXNPFEDSA-N 1 0 283.460 2.131 10 0 CEAERO CCCCC[N@H+](CC[C@H](NC)C(=O)OC)C(C)C ZINC000062463273 520175828 /nfs/dbraw/zinc/17/58/28/520175828.db2.gz PAEXXQIEJOWCJY-ZDUSSCGKSA-N 1 0 258.406 2.038 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(F)cc1OCC(=O)OC ZINC000062746961 520177972 /nfs/dbraw/zinc/17/79/72/520177972.db2.gz OPEZEZQKRWSNSW-SECBINFHSA-N 1 0 255.289 2.048 10 0 CEAERO CC[NH2+][C@H](C)c1cccc(S(=O)(=O)NC2CCC2)c1 ZINC000052212686 520179531 /nfs/dbraw/zinc/17/95/31/520179531.db2.gz VGWDUYLTQYCCRP-LLVKDONJSA-N 1 0 282.409 2.188 10 0 CEAERO CC[NH2+][C@H](C)c1cnc(N(CC)CCOC)s1 ZINC000054908265 520181242 /nfs/dbraw/zinc/18/12/42/520181242.db2.gz RSIYPIMHUMESDY-SNVBAGLBSA-N 1 0 257.403 2.286 10 0 CEAERO CC[NH2+][C@H](C)c1cnc(N2CCN(C3CC3)CC2)s1 ZINC000054909513 520181925 /nfs/dbraw/zinc/18/19/25/520181925.db2.gz ZEALKKLZJORNBP-LLVKDONJSA-N 1 0 280.441 2.098 10 0 CEAERO CC[NH2+][C@H](CC)c1nnc(-c2cccnc2OC)o1 ZINC000061513043 520184689 /nfs/dbraw/zinc/18/46/89/520184689.db2.gz JAGDJZOAVOWPPD-SNVBAGLBSA-N 1 0 262.313 2.201 10 0 CEAERO CC[NH2+][C@H](CCc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000061624469 520196903 /nfs/dbraw/zinc/19/69/03/520196903.db2.gz RJKDXUWGOBOVQE-LSDHHAIUSA-N 1 0 281.421 2.032 10 0 CEAERO CC[NH2+][C@H](CS(C)(=O)=O)C12CC3CC(CC(C3)C1)C2 ZINC000054930403 520201305 /nfs/dbraw/zinc/20/13/05/520201305.db2.gz CWUBBZKZDGFABN-WRHSUISWSA-N 1 0 285.453 2.226 10 0 CEAERO CC[NH2+][C@H](CS(C)(=O)=O)c1ccc(OC(C)C)cc1 ZINC000054930429 520201545 /nfs/dbraw/zinc/20/15/45/520201545.db2.gz CEKIQVGIFZEBAQ-CQSZACIVSA-N 1 0 285.409 2.169 10 0 CEAERO CC[NH2+][C@H](Cc1cnn(C)c1)Cc1cccc(F)c1 ZINC000050542991 520204837 /nfs/dbraw/zinc/20/48/37/520204837.db2.gz CFVAWNLMZSLKHP-HNNXBMFYSA-N 1 0 261.344 2.323 10 0 CEAERO CC[NH2+][C@H](c1ccc(CC)cc1)[C@@H](C)S(C)(=O)=O ZINC000054930475 520207549 /nfs/dbraw/zinc/20/75/49/520207549.db2.gz ZDSZVLIIBOJOFJ-RISCZKNCSA-N 1 0 269.410 2.333 10 0 CEAERO CCCCCNC(=O)[C@@H](C)[NH2+]C[C@H](C)CSC ZINC000069447766 520209344 /nfs/dbraw/zinc/20/93/44/520209344.db2.gz POKSGQXCRZWVPD-NWDGAFQWSA-N 1 0 260.447 2.270 10 0 CEAERO CC[NH2+][C@H](c1ccc2c(c1)CC(=O)N2C)[C@@H]1CCCCO1 ZINC000050962160 520210396 /nfs/dbraw/zinc/21/03/96/520210396.db2.gz PTBZYXPJGQUPDF-DOTOQJQBSA-N 1 0 288.391 2.425 10 0 CEAERO CC[NH2+][C@H]1CCN([C@@H]2CCCc3sccc32)C1=O ZINC000061363717 520216536 /nfs/dbraw/zinc/21/65/36/520216536.db2.gz 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CC[C@@H]1CCCC[N@@H+]1CC[C@H]([NH2+]C(C)C)C(=O)[O-] ZINC000062446147 523173135 /nfs/dbraw/zinc/17/31/35/523173135.db2.gz SHFPXGYKPVHRDH-OLZOCXBDSA-N 1 0 256.390 2.092 10 0 CEAERO CC[C@@H]1CCCC[N@@H+]1Cc1cccnc1C(N)=S ZINC000061659697 523177370 /nfs/dbraw/zinc/17/73/70/523177370.db2.gz ZKAFTNDNYWFUEK-GFCCVEGCSA-N 1 0 263.410 2.480 10 0 CEAERO CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NCCCOC ZINC000049119847 523224140 /nfs/dbraw/zinc/22/41/40/523224140.db2.gz GPWOBGRUYUPQGX-BFHYXJOUSA-N 1 0 270.417 2.086 10 0 CEAERO COc1ccc(-c2nc([C@@H]([NH3+])C3CC3)no2)cc1F ZINC000061669631 523224951 /nfs/dbraw/zinc/22/49/51/523224951.db2.gz DGXNMOQKZDVCCQ-NSHDSACASA-N 1 0 263.272 2.294 10 0 CEAERO CCn1c(S[C@@H](C[NH3+])c2cccc(Cl)c2)n[nH]c1=O ZINC000061594260 523242975 /nfs/dbraw/zinc/24/29/75/523242975.db2.gz YTRXSHFCMUTBHZ-JTQLQIEISA-N 1 0 298.799 2.037 10 0 CEAERO CC[C@H]1CN(CC2(C[NH2+]C(C)(C)C)CCOCC2)CCO1 ZINC000052181694 523270638 /nfs/dbraw/zinc/27/06/38/523270638.db2.gz FVSJPZKILWFIFB-HNNXBMFYSA-N 1 0 298.471 2.282 10 0 CEAERO COC(=O)C[C@H](C)C[C@@H]([NH3+])c1ccc(OC)cc1OC ZINC000061830014 523323209 /nfs/dbraw/zinc/32/32/09/523323209.db2.gz IQVYAJYISFCKPI-ZWNOBZJWSA-N 1 0 281.352 2.293 10 0 CEAERO CCn1cc(CN2CC[NH2+]C[C@]2(C)c2ccccc2)cn1 ZINC000068696597 523375579 /nfs/dbraw/zinc/37/55/79/523375579.db2.gz IWKOTYRRJOLNOU-QGZVFWFLSA-N 1 0 284.407 2.224 10 0 CEAERO CCn1cccc1C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000062839109 523501007 /nfs/dbraw/zinc/50/10/07/523501007.db2.gz DZVWGGGRGIJWHA-UHFFFAOYSA-N 1 0 273.336 2.098 10 0 CEAERO CCn1ccnc1[C@H](Cc1nc(C)cs1)[NH2+]C ZINC000069498540 523556664 /nfs/dbraw/zinc/55/66/64/523556664.db2.gz VXWZIXGMEHXRFG-JTQLQIEISA-N 1 0 250.371 2.171 10 0 CEAERO CN(Cc1[nH+]c(NN)ccc1Cl)CC(F)(F)F ZINC000061631058 523557604 /nfs/dbraw/zinc/55/76/04/523557604.db2.gz UTLSUVBININBJY-UHFFFAOYSA-N 1 0 268.670 2.015 10 0 CEAERO COCCN(C)[C@H](C[NH3+])c1csc2ccccc12 ZINC000054464316 523634174 /nfs/dbraw/zinc/63/41/74/523634174.db2.gz XPQCEEBSVCLTGO-CYBMUJFWSA-N 1 0 264.394 2.479 10 0 CEAERO COCCN(CC(C)C)c1nc(C)c(C[NH3+])s1 ZINC000054998846 523681567 /nfs/dbraw/zinc/68/15/67/523681567.db2.gz VKOKPLMCZRGWOH-UHFFFAOYSA-N 1 0 257.403 2.019 10 0 CEAERO CC[C@@]1(C(=O)N2CCCc3ccccc3C2)CC[NH2+]C1 ZINC000062945923 523692830 /nfs/dbraw/zinc/69/28/30/523692830.db2.gz CSSHYQLDOUWQOM-QGZVFWFLSA-N 1 0 272.392 2.351 10 0 CEAERO CC[C@@]1(C(=O)NCCN(C)c2ccccc2)CCC[NH2+]C1 ZINC000062859379 523694279 /nfs/dbraw/zinc/69/42/79/523694279.db2.gz ATVMHROQSNOSQN-QGZVFWFLSA-N 1 0 289.423 2.019 10 0 CEAERO CCn1nccc1-c1cc(OC)c(OC)cc1C[NH2+]C ZINC000069468633 523702738 /nfs/dbraw/zinc/70/27/38/523702738.db2.gz VUMQJJVHZMPBQT-UHFFFAOYSA-N 1 0 275.352 2.307 10 0 CEAERO CCc1c(C)nn(CC[NH2+][C@H](C)[C@@H]2CCCO2)c1C ZINC000053540877 523714934 /nfs/dbraw/zinc/71/49/34/523714934.db2.gz ZIJOTMHOLCPJRS-DOMZBBRYSA-N 1 0 265.401 2.219 10 0 CEAERO COCC[NH+](CCOC)C[C@@H]1C[C@H](C(C)C)CC[C@@H]1O ZINC000054561530 523716090 /nfs/dbraw/zinc/71/60/90/523716090.db2.gz IFMHBHWFAPJBRH-PMPSAXMXSA-N 1 0 287.444 2.014 10 0 CEAERO COCCN(CCOC)[C@@H](C[NH2+]C1CC1)c1ccccc1 ZINC000052571525 523723397 /nfs/dbraw/zinc/72/33/97/523723397.db2.gz GGEATGYPRSSQIK-KRWDZBQOSA-N 1 0 292.423 2.075 10 0 CEAERO COc1ccc(C(=O)N[C@H](C)[C@H]2CCCC[NH2+]2)cc1F ZINC000061668775 523734364 /nfs/dbraw/zinc/73/43/64/523734364.db2.gz DCVUEBZPHZBPOE-ZWNOBZJWSA-N 1 0 280.343 2.095 10 0 CEAERO CCn1nccc1[C@H](Cc1cccc(OC)c1)[NH2+]C ZINC000069471417 523747275 /nfs/dbraw/zinc/74/72/75/523747275.db2.gz AKDOCTFCMKRVEJ-AWEZNQCLSA-N 1 0 259.353 2.415 10 0 CEAERO CC[C@H](C(N)=[NH2+])n1nc(C)c(Br)c1C ZINC000050593441 523751497 /nfs/dbraw/zinc/75/14/97/523751497.db2.gz FYDRWHUBXSZRAS-SSDOTTSWSA-N 1 0 259.151 2.150 10 0 CEAERO COCCN(c1cc(Cl)ccc1C[NH3+])[C@@H](C)COC ZINC000062786980 523782324 /nfs/dbraw/zinc/78/23/24/523782324.db2.gz WEYKPCQOCCITPP-NSHDSACASA-N 1 0 286.803 2.286 10 0 CEAERO COc1ccc(C)cc1C(=O)N1C[C@@H]2C[C@H]([NH3+])CC[C@@H]2C1 ZINC000052943807 523801675 /nfs/dbraw/zinc/80/16/75/523801675.db2.gz WFPMDWLBCCSXOI-HZSPNIEDSA-N 1 0 288.391 2.203 10 0 CEAERO COc1ccc(C)cc1CN(CCC(N)=[NH2+])C1CC1 ZINC000050704465 523809321 /nfs/dbraw/zinc/80/93/21/523809321.db2.gz ZDFAVSNJEHDNCJ-UHFFFAOYSA-N 1 0 261.369 2.294 10 0 CEAERO COC(=O)[C@@](C)(C[C@@H](C)[N@@H+]1CCCC1(C)C)NC1CC1 ZINC000068646348 523814944 /nfs/dbraw/zinc/81/49/44/523814944.db2.gz WAOKTOFVPYNDML-MLGOLLRUSA-N 1 0 282.428 2.323 10 0 CEAERO COC(=O)[C@@](C)(C[C@H](C)[N@H+](C)CC1CCC1)NC(C)C ZINC000068642735 523817120 /nfs/dbraw/zinc/81/71/20/523817120.db2.gz IFTBHDKYJDSACO-XJKSGUPXSA-N 1 0 284.444 2.427 10 0 CEAERO COC(=O)[C@@](C)([NH3+])CCCCn1ncc2ccccc21 ZINC000050528469 523817394 /nfs/dbraw/zinc/81/73/94/523817394.db2.gz JAHDIYUGEBYLQR-HNNXBMFYSA-N 1 0 275.352 2.097 10 0 CEAERO CCc1ccc(-c2[nH]nc(N3CC[NH2+]CC3)c2C)cc1 ZINC000062670076 523852292 /nfs/dbraw/zinc/85/22/92/523852292.db2.gz BZFYXWDKNCFOGW-UHFFFAOYSA-N 1 0 270.380 2.357 10 0 CEAERO COc1ccc(C)cc1[C@@H](O)C[NH2+][C@H](CN(C)C)C(C)C ZINC000049204739 523854793 /nfs/dbraw/zinc/85/47/93/523854793.db2.gz ZDDZKYSCNGAEQC-CVEARBPZSA-N 1 0 294.439 2.213 10 0 CEAERO COc1ccc(C)cc1[C@H]([NH3+])c1ccc2[nH]c(=O)oc2c1 ZINC000052943499 523860603 /nfs/dbraw/zinc/86/06/03/523860603.db2.gz CQIZFSLINQRJMS-OAHLLOKOSA-N 1 0 284.315 2.486 10 0 CEAERO CCc1ccc(C(=O)N2CC[C@H](C)[C@@H]([NH3+])C2)s1 ZINC000070145385 523886991 /nfs/dbraw/zinc/88/69/91/523886991.db2.gz HVIXUUQHDFDIIQ-ONGXEEELSA-N 1 0 252.383 2.120 10 0 CEAERO CC[C@H](C)N(C)C(=O)c1cccn1C1CC[NH2+]CC1 ZINC000054442858 523914107 /nfs/dbraw/zinc/91/41/07/523914107.db2.gz CMVXIXRGQCKAJV-LBPRGKRZSA-N 1 0 263.385 2.283 10 0 CEAERO COCCNC(=O)[C@H](C)[NH2+][C@H](C)c1cc(C)sc1C ZINC000049507493 523914807 /nfs/dbraw/zinc/91/48/07/523914807.db2.gz ICCFKPSLIWLAAD-MNOVXSKESA-N 1 0 284.425 2.167 10 0 CEAERO COc1ccc(CCC(=O)NC[C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000062036855 523923339 /nfs/dbraw/zinc/92/33/39/523923339.db2.gz KTAWXZRKZGUGND-UKRRQHHQSA-N 1 0 290.407 2.132 10 0 CEAERO CC[C@H](C)N(C)c1ncc(C[NH2+]CCOC)s1 ZINC000054902724 523924044 /nfs/dbraw/zinc/92/40/44/523924044.db2.gz RQCLQFCWXULBJI-JTQLQIEISA-N 1 0 257.403 2.114 10 0 CEAERO COCC[NH2+]C[C@@H]1C[C@@H]1c1cnn(-c2ccccc2)c1 ZINC000054598461 523941583 /nfs/dbraw/zinc/94/15/83/523941583.db2.gz JRNFEFCRJQPYIH-BBRMVZONSA-N 1 0 271.364 2.212 10 0 CEAERO COCC[NH2+]C[C@@H]1C[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000054598593 523941585 /nfs/dbraw/zinc/94/15/85/523941585.db2.gz HDRWTOKBLBOVTC-AAEUAGOBSA-N 1 0 295.379 2.052 10 0 CEAERO COCC[NH2+]C[C@@H]1C[C@]1(C)c1c(F)cccc1F ZINC000054598883 523941597 /nfs/dbraw/zinc/94/15/97/523941597.db2.gz ULTLWLLXJJOUEL-HZMBPMFUSA-N 1 0 255.308 2.478 10 0 CEAERO COCC[NH2+]C[C@@](C)(O)c1ccc(C(C)C)cc1 ZINC000055033627 523942399 /nfs/dbraw/zinc/94/23/99/523942399.db2.gz CUTWNUFXUMWUDA-OAHLLOKOSA-N 1 0 251.370 2.254 10 0 CEAERO COCC[NH2+]C[C@H](CCOC)Cc1ccccc1C ZINC000054667293 523943555 /nfs/dbraw/zinc/94/35/55/523943555.db2.gz LURRVEHTTPHBTR-OAHLLOKOSA-N 1 0 265.397 2.426 10 0 CEAERO COCC[NH2+]C[C@H]1CCCCN1c1cc(C(C)C)ncn1 ZINC000053701157 523944011 /nfs/dbraw/zinc/94/40/11/523944011.db2.gz JGDPJVXUWSGOPZ-CQSZACIVSA-N 1 0 292.427 2.195 10 0 CEAERO COCC[NH2+]C[C@]1(Cc2ccc(F)cc2)CCOC1 ZINC000054666378 523945452 /nfs/dbraw/zinc/94/54/52/523945452.db2.gz NUOFWYCUMHIGFG-OAHLLOKOSA-N 1 0 267.344 2.011 10 0 CEAERO COCC[NH2+]Cc1c(OC[C@H](C)O)ccc2ccccc21 ZINC000062732177 523949007 /nfs/dbraw/zinc/94/90/07/523949007.db2.gz YWXXDEYDKJFKAI-ZDUSSCGKSA-N 1 0 289.375 2.335 10 0 CEAERO COCC[NH2+]Cc1cc(F)ccc1N1CCCO[C@H](C)C1 ZINC000062738351 523949779 /nfs/dbraw/zinc/94/97/79/523949779.db2.gz JMPQEVJCCJGHSC-CYBMUJFWSA-N 1 0 296.386 2.177 10 0 CEAERO COCC[NH2+]Cc1cc(F)ccc1N1CCOC(C)(C)C1 ZINC000062736257 523950380 /nfs/dbraw/zinc/95/03/80/523950380.db2.gz PFPMWVQJAHKMTQ-UHFFFAOYSA-N 1 0 296.386 2.177 10 0 CEAERO CC[C@H](C)[NH+]1CCN(C(=O)c2ccc(Cl)c(N)c2)CC1 ZINC000055063507 523950997 /nfs/dbraw/zinc/95/09/97/523950997.db2.gz COGBYPWJAADXEI-NSHDSACASA-N 1 0 295.814 2.479 10 0 CEAERO CC[C@H](C)[NH+]1CCN(C[C@](C)(CO)c2ccccc2)CC1 ZINC000055072921 523955510 /nfs/dbraw/zinc/95/55/10/523955510.db2.gz ZPHWGPSYJJHVCZ-FUHWJXTLSA-N 1 0 290.451 2.353 10 0 CEAERO COCC[NH2+]Cc1ccccc1O[C@@H]1CCCC[C@H]1O ZINC000062729592 523956123 /nfs/dbraw/zinc/95/61/23/523956123.db2.gz JHFOODCQSPUCCC-GDBMZVCRSA-N 1 0 279.380 2.105 10 0 CEAERO CC[C@H](C)N1CC[NH+]([C@H]2CCCCC[C@@H]2O)CC1 ZINC000055069778 523959037 /nfs/dbraw/zinc/95/90/37/523959037.db2.gz LQETYSAFNPJACY-KKUMJFAQSA-N 1 0 254.418 2.096 10 0 CEAERO CO[C@H](c1nc([C@H]([NH3+])C(C)C)no1)c1ccccc1 ZINC000050438337 523959168 /nfs/dbraw/zinc/95/91/68/523959168.db2.gz MYHQUZASYIKASI-NEPJUHHUSA-N 1 0 261.325 2.461 10 0 CEAERO C[N@@H+]1CC[C@@H](CNc2cc(Cl)ccc2C(N)=S)C1 ZINC000062788137 523962558 /nfs/dbraw/zinc/96/25/58/523962558.db2.gz KLEDNGCKIJQAON-VIFPVBQESA-N 1 0 283.828 2.338 10 0 CEAERO CC[C@H](C)NC(=O)COc1cc(F)ccc1[C@H](C)[NH2+]C ZINC000062746601 523974908 /nfs/dbraw/zinc/97/49/08/523974908.db2.gz FUMCZBXSXZKOFM-QWRGUYRKSA-N 1 0 282.359 2.400 10 0 CEAERO CO[C@H]1CCC[C@H](Oc2nc3c(cc2C(N)=[NH2+])CCC3)C1 ZINC000070330317 523984455 /nfs/dbraw/zinc/98/44/55/523984455.db2.gz VFQMZAMBFLLEDY-RYUDHWBXSA-N 1 0 289.379 2.191 10 0 CEAERO CC[C@H](C)[NH2+][C@@H](C(N)=O)c1ccc2ncccc2c1 ZINC000069503205 524005820 /nfs/dbraw/zinc/00/58/20/524005820.db2.gz KTUWABCOQNARLR-IINYFYTJSA-N 1 0 257.337 2.149 10 0 CEAERO CCc1ccc([C@@H](C)[NH2+][C@H]2CCCS(=O)(=O)C2)cc1 ZINC000069135938 524027577 /nfs/dbraw/zinc/02/75/77/524027577.db2.gz MUSYGNIFHNQGAN-DOMZBBRYSA-N 1 0 281.421 2.477 10 0 CEAERO CN1c2ccc([C@@H]([NH3+])c3ccoc3)cc2CCC1=O ZINC000062806378 524032903 /nfs/dbraw/zinc/03/29/03/524032903.db2.gz PJFVFBYLVIBVPR-OAHLLOKOSA-N 1 0 256.305 2.237 10 0 CEAERO COCCO[C@H](C[NH2+]C(C)C)c1cccc(OC)c1 ZINC000050496014 524034298 /nfs/dbraw/zinc/03/42/98/524034298.db2.gz UIGRZGKOEXZIMI-OAHLLOKOSA-N 1 0 267.369 2.397 10 0 CEAERO COCCOc1ccc(C[C@@H](C)[NH3+])cc1Br ZINC000062704461 524045232 /nfs/dbraw/zinc/04/52/32/524045232.db2.gz YLVUPERYXUSKJO-SECBINFHSA-N 1 0 288.185 2.364 10 0 CEAERO CCc1ccc([C@H](O)CN(C)CC[NH+]2CCCC2)cc1 ZINC000063052872 524051987 /nfs/dbraw/zinc/05/19/87/524051987.db2.gz VXGUQXLSRJENIK-QGZVFWFLSA-N 1 0 276.424 2.310 10 0 CEAERO C[NH+](C)CCCNC(=O)CCc1nc2c(s1)CCCC2 ZINC000049678378 524056567 /nfs/dbraw/zinc/05/65/67/524056567.db2.gz WIRVUDOOBYAPHO-UHFFFAOYSA-N 1 0 295.452 2.022 10 0 CEAERO CCc1cccc(C)c1NS(=O)(=O)C[C@H]1CCC[NH2+]1 ZINC000049632366 524066340 /nfs/dbraw/zinc/06/63/40/524066340.db2.gz PYTAVKMBAKJRIK-CYBMUJFWSA-N 1 0 282.409 2.051 10 0 CEAERO CNC(=O)[C@@H](C)Oc1cc(OC)ccc1C[NH2+]C(C)(C)C ZINC000062733107 524080844 /nfs/dbraw/zinc/08/08/44/524080844.db2.gz FQPJJIZDEZEQCA-LLVKDONJSA-N 1 0 294.395 2.097 10 0 CEAERO COc1ccc(COC[C@@H]2CCCC[NH2+]2)cc1F ZINC000051815854 524116857 /nfs/dbraw/zinc/11/68/57/524116857.db2.gz BJUOHFTVIOUXNH-LBPRGKRZSA-N 1 0 253.317 2.493 10 0 CEAERO C[C@H]1CCC[C@@H](NC(=O)C2CCC(C[NH3+])CC2)C1 ZINC000055147045 524146058 /nfs/dbraw/zinc/14/60/58/524146058.db2.gz MQJJJYQVGCKKCO-GFJIZPEISA-N 1 0 252.402 2.446 10 0 CEAERO COc1ccc(Cl)cc1C(=O)N1[C@H](C)C[NH2+]C[C@H]1C ZINC000069132685 524195012 /nfs/dbraw/zinc/19/50/12/524195012.db2.gz XXOQBYAWBJAWCA-NXEZZACHSA-N 1 0 282.771 2.171 10 0 CEAERO C[C@H]1CCC[C@H](CNC(=O)c2ccc3c(c2)CCC3)[NH2+]1 ZINC000051573365 524198807 /nfs/dbraw/zinc/19/88/07/524198807.db2.gz XFSVSWWCFQLKAR-BLLLJJGKSA-N 1 0 272.392 2.436 10 0 CEAERO Cc1cc(C)c(-n2nnnc2C[NH2+]C(C)(C)C)c(C)c1 ZINC000054744229 524212388 /nfs/dbraw/zinc/21/23/88/524212388.db2.gz NKSWIGMRLIXESO-UHFFFAOYSA-N 1 0 273.384 2.476 10 0 CEAERO Cc1ccc(C)c2c1C(=O)C(=O)N2CC[NH2+]C(C)(C)C ZINC000048785304 524214966 /nfs/dbraw/zinc/21/49/66/524214966.db2.gz FHHSFOQUEJGTHY-UHFFFAOYSA-N 1 0 274.364 2.221 10 0 CEAERO C[C@H](C[NH+]1CCCC1)NC(=O)c1c[nH]c2ccccc12 ZINC000049189000 524314040 /nfs/dbraw/zinc/31/40/40/524314040.db2.gz BXTKPBFEPQRJJC-GFCCVEGCSA-N 1 0 271.364 2.382 10 0 CEAERO C[C@H](CN1CCCC1)[NH2+][C@@H](C)c1ccc(NC(N)=O)cc1 ZINC000049151223 524318103 /nfs/dbraw/zinc/31/81/03/524318103.db2.gz 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COc1ccc([C@H](O)C[NH2+]C[C@@H](C)CSC)cc1 ZINC000069448174 525377091 /nfs/dbraw/zinc/37/70/91/525377091.db2.gz KBWHNFAAVVUXHR-BXUZGUMPSA-N 1 0 269.410 2.317 10 0 CEAERO COc1ccc([C@H](O)C[NH2+]C2(CO)CCCCC2)cc1 ZINC000053097107 525378070 /nfs/dbraw/zinc/37/80/70/525378070.db2.gz MPRFMXGITJTCIT-OAHLLOKOSA-N 1 0 279.380 2.013 10 0 CEAERO Cc1[nH]c2ccc(C(=O)N[C@H]3CCC[C@@H]3[NH3+])cc2c1C ZINC000063172330 525425114 /nfs/dbraw/zinc/42/51/14/525425114.db2.gz GORKJTOSDJEHIW-ZFWWWQNUSA-N 1 0 271.364 2.394 10 0 CEAERO Cc1nc[nH]c1C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000054795549 525464012 /nfs/dbraw/zinc/46/40/12/525464012.db2.gz LAIJZHBFNNMGTC-JTQLQIEISA-N 1 0 273.336 2.340 10 0 CEAERO C[C@H](NS(=O)(=O)c1cccc(C[NH3+])c1)C1CCCCC1 ZINC000052341337 525509085 /nfs/dbraw/zinc/50/90/85/525509085.db2.gz JLCHBORBRONRHM-LBPRGKRZSA-N 1 0 296.436 2.392 10 0 CEAERO CSCC[NH2+][C@@H]1CCN(CCc2ccccc2)C1 ZINC000069429982 525512792 /nfs/dbraw/zinc/51/27/92/525512792.db2.gz KIOUSFNLHSJVFN-OAHLLOKOSA-N 1 0 264.438 2.256 10 0 CEAERO CSCCNc1[nH+]c(C)cc(C)c1C(N)=S ZINC000069014967 525513106 /nfs/dbraw/zinc/51/31/06/525513106.db2.gz FQRCXCKUADGIEN-UHFFFAOYSA-N 1 0 255.412 2.108 10 0 CEAERO Cc1cc2ncn(C[C@@H](O)C[NH+]3CCCCC3)c2cc1C ZINC000051085341 525683384 /nfs/dbraw/zinc/68/33/84/525683384.db2.gz ZCUGYCJWJRIGLJ-HNNXBMFYSA-N 1 0 287.407 2.500 10 0 CEAERO Cc1c(C[NH2+]C(C)C)cnn1[C@@H]1CCCC[C@H]1O ZINC000054600043 525723255 /nfs/dbraw/zinc/72/32/55/525723255.db2.gz ZIPBAGYRYJLWHA-ZIAGYGMSSA-N 1 0 251.374 2.166 10 0 CEAERO COc1cccc(-c2nnc(CC[NH2+]C(C)C)o2)c1 ZINC000050620305 525731779 /nfs/dbraw/zinc/73/17/79/525731779.db2.gz RDCBHVCXNDLNNP-UHFFFAOYSA-N 1 0 261.325 2.286 10 0 CEAERO C[C@@]([NH3+])(c1nc2ccccc2n1CCO)c1ccccc1 ZINC000052879229 525751724 /nfs/dbraw/zinc/75/17/24/525751724.db2.gz MJVZHMWXNBTJMJ-KRWDZBQOSA-N 1 0 281.359 2.251 10 0 CEAERO Cc1ccc([C@@H](C[NH3+])Sc2n[nH]c(=O)n2C2CC2)s1 ZINC000061594598 525757150 /nfs/dbraw/zinc/75/71/50/525757150.db2.gz KETZCVLNQPWYDO-SNVBAGLBSA-N 1 0 296.421 2.068 10 0 CEAERO CSCc1nc(C)c(CC[NH2+]C(C)C)c(C)n1 ZINC000054853793 525764800 /nfs/dbraw/zinc/76/48/00/525764800.db2.gz JNGYUTWJOWRIKF-UHFFFAOYSA-N 1 0 253.415 2.497 10 0 CEAERO C[C@@H](O)c1ccc(NC(=O)N2CCC[C@H]2C[NH+](C)C)cc1 ZINC000061655763 525869629 /nfs/dbraw/zinc/86/96/29/525869629.db2.gz RJYMUFMWIZPTJF-DOMZBBRYSA-N 1 0 291.395 2.298 10 0 CEAERO C[C@@H](O)c1ccccc1NC(=O)C1([NH3+])CCCCC1 ZINC000049547403 525870943 /nfs/dbraw/zinc/87/09/43/525870943.db2.gz GYBJQGWTNVHEFA-LLVKDONJSA-N 1 0 262.353 2.340 10 0 CEAERO C[C@@H](O)c1ccccc1NC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000061612924 525872660 /nfs/dbraw/zinc/87/26/60/525872660.db2.gz PPCMMHGMDMXCGK-IUODEOHRSA-N 1 0 284.359 2.421 10 0 CEAERO C[C@@H](O)c1ccccc1NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000049547266 525872909 /nfs/dbraw/zinc/87/29/09/525872909.db2.gz ASRGZRNKSIQKGL-IUODEOHRSA-N 1 0 284.359 2.248 10 0 CEAERO C[C@H](OC[C@@H]1CCC[NH2+]C1)C(=O)Nc1ccccc1 ZINC000051815232 525905773 /nfs/dbraw/zinc/90/57/73/525905773.db2.gz FOZZUHARTHLOEW-QWHCGFSZSA-N 1 0 262.353 2.030 10 0 CEAERO COc1cccc(CN2CC[NH2+][C@@](C)(C3CC3)C2)c1 ZINC000068694167 525949099 /nfs/dbraw/zinc/94/90/99/525949099.db2.gz YOOMZPKNCXOUPR-MRXNPFEDSA-N 1 0 260.381 2.269 10 0 CEAERO Cc1ccc(C(N)=[NH2+])c(N(C)Cc2cscn2)c1 ZINC000051579821 526010817 /nfs/dbraw/zinc/01/08/17/526010817.db2.gz UPPOZJRMCIFGJT-UHFFFAOYSA-N 1 0 260.366 2.372 10 0 CEAERO Cc1cnc(CNc2[nH+]c(C)cc(C)c2C(N)=S)cn1 ZINC000061322859 526052433 /nfs/dbraw/zinc/05/24/33/526052433.db2.gz ABPWTGRJCSYFFJ-UHFFFAOYSA-N 1 0 287.392 2.043 10 0 CEAERO Cc1ccc(C(=O)N(C)c2cccc(C[NH3+])c2)c(C)n1 ZINC000061950444 526067234 /nfs/dbraw/zinc/06/72/34/526067234.db2.gz SUNOALAHNHYISW-UHFFFAOYSA-N 1 0 269.348 2.434 10 0 CEAERO C[C@H](c1ccccc1)[C@H](C[NH3+])N1CCOCC1(C)C ZINC000048926828 526104738 /nfs/dbraw/zinc/10/47/38/526104738.db2.gz VPWYSULPGITGIV-HIFRSBDPSA-N 1 0 262.397 2.228 10 0 CEAERO C[C@@H](c1ccncc1)N(C)C(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000052882311 526151558 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ZINC000051883020 526377102 /nfs/dbraw/zinc/37/71/02/526377102.db2.gz RPYOSKHEBQAKJV-LBPRGKRZSA-N 1 0 257.337 2.317 10 0 CEAERO c1c(N2CC[NH2+]CC2)n[nH]c1C12CC3CC(CC(C3)C1)C2 ZINC000062669853 526402224 /nfs/dbraw/zinc/40/22/24/526402224.db2.gz DKJGSCSIQYVRCM-UHFFFAOYSA-N 1 0 286.423 2.287 10 0 CEAERO c1cc(CN(CC[NH2+]C[C@H]2CCOC2)C2CC2)cs1 ZINC000053432805 526420159 /nfs/dbraw/zinc/42/01/59/526420159.db2.gz ACHQWAGXNSIDSE-CYBMUJFWSA-N 1 0 280.437 2.339 10 0 CEAERO c1ccc(C[C@H]2CN(C[C@@H]3CCCO3)CCC[NH2+]2)cc1 ZINC000062668031 526476408 /nfs/dbraw/zinc/47/64/08/526476408.db2.gz RQGHYZWCHOMHNH-IRXDYDNUSA-N 1 0 274.408 2.072 10 0 CEAERO c1ccc2[nH]c(SCC[NH2+]C3CCOCC3)nc2c1 ZINC000062768259 526500238 /nfs/dbraw/zinc/50/02/38/526500238.db2.gz KOLFSPBKAIZHQY-UHFFFAOYSA-N 1 0 277.393 2.424 10 0 CEAERO c1coc(-c2noc(CN3CCC[C@@H]3[C@@H]3CCC[NH2+]3)n2)c1 ZINC000051359728 526564901 /nfs/dbraw/zinc/56/49/01/526564901.db2.gz XCBHHWOPMHWGDT-NWDGAFQWSA-N 1 0 288.351 2.046 10 0 CEAERO Cc1nonc1COc1ccc(C)cc1C[C@H](C)[NH3+] ZINC000070269324 526704125 /nfs/dbraw/zinc/70/41/25/526704125.db2.gz PPFTZTLNOFNRKY-JTQLQIEISA-N 1 0 261.325 2.155 10 0 CEAERO O=C(CN1CC[C@@H]([NH+]2CCCC2)C1)c1ccc(F)cc1F ZINC000062981529 526801568 /nfs/dbraw/zinc/80/15/68/526801568.db2.gz AQVRBOVJQDJXEW-CYBMUJFWSA-N 1 0 294.345 2.318 10 0 CEAERO NC(=[NH2+])c1cc(Cl)ccc1OCC1CCOCC1 ZINC000052860401 526820565 /nfs/dbraw/zinc/82/05/65/526820565.db2.gz PVDZRPBUTGCINS-UHFFFAOYSA-N 1 0 268.744 2.429 10 0 CEAERO NC(=[NH2+])c1ccc(OCCCc2ccccc2)nc1 ZINC000045627810 526823159 /nfs/dbraw/zinc/82/31/59/526823159.db2.gz WVDZVSNZQAHXNI-UHFFFAOYSA-N 1 0 255.321 2.377 10 0 CEAERO Cc1nc(C[C@H]2CCCO2)nc(C)c1C[NH2+]C(C)C ZINC000054854305 526923242 /nfs/dbraw/zinc/92/32/42/526923242.db2.gz FBNJRKUNLQWAQE-CYBMUJFWSA-N 1 0 263.385 2.313 10 0 CEAERO Cc1nc(Cc2cccnc2)nc(C)c1[C@@H](C)C[NH3+] ZINC000054836978 526929505 /nfs/dbraw/zinc/92/95/05/526929505.db2.gz GKMLTMHPRJYQKZ-JTQLQIEISA-N 1 0 256.353 2.141 10 0 CEAERO O=C(COc1ccccc1)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000069052563 526985192 /nfs/dbraw/zinc/98/51/92/526985192.db2.gz DZHYKLAVOSOZHR-UHFFFAOYSA-N 1 0 282.343 2.350 10 0 CEAERO NC(=O)[C@H]([NH3+])CCSc1cc(Cl)ccc1Cl ZINC000062598316 526994194 /nfs/dbraw/zinc/99/41/94/526994194.db2.gz QZGOEDIYIRBDHJ-MRVPVSSYSA-N 1 0 279.192 2.288 10 0 CEAERO NC(=O)c1ccc(OC2CCC([NH3+])CC2)c(Cl)c1 ZINC000062791693 527070223 /nfs/dbraw/zinc/07/02/23/527070223.db2.gz BPSQUSUPYHOGPO-UHFFFAOYSA-N 1 0 268.744 2.088 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)N1CCCc2ccccc21 ZINC000054290200 527119965 /nfs/dbraw/zinc/11/99/65/527119965.db2.gz RHLRPNJIFOJMFG-ZDUSSCGKSA-N 1 0 258.365 2.356 10 0 CEAERO [NH3+]CCCc1noc(Cc2ccc(Br)cc2)n1 ZINC000054139210 527185207 /nfs/dbraw/zinc/18/52/07/527185207.db2.gz FHSDCIFFQGKFNC-UHFFFAOYSA-N 1 0 296.168 2.314 10 0 CEAERO [NH3+]CCc1ccc(CNC(=O)c2ccc(Cl)o2)cc1 ZINC000052899031 527196539 /nfs/dbraw/zinc/19/65/39/527196539.db2.gz HXTBMFKNTWYZFV-UHFFFAOYSA-N 1 0 278.739 2.364 10 0 CEAERO [NH3+]CCc1cnc(-c2ccc(Br)cc2)nc1 ZINC000054857516 527197788 /nfs/dbraw/zinc/19/77/88/527197788.db2.gz WIQWAGVQGSZAEW-UHFFFAOYSA-N 1 0 278.153 2.407 10 0 CEAERO [NH3+]CCc1cnn(Cc2ccccc2Br)c1 ZINC000054740845 527198099 /nfs/dbraw/zinc/19/80/99/527198099.db2.gz OGRGHBMBDNSYBE-UHFFFAOYSA-N 1 0 280.169 2.195 10 0 CEAERO O=C(Cc1ccc(F)cc1)N1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000051358972 527228367 /nfs/dbraw/zinc/22/83/67/527228367.db2.gz OKZLKKPJCJGCOF-HUUCEWRRSA-N 1 0 276.355 2.111 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1N1C(=O)CC2(CCCCC2)CC1=O ZINC000061884274 527236651 /nfs/dbraw/zinc/23/66/51/527236651.db2.gz LRCRKIFLFKVJKY-CHWSQXEVSA-N 1 0 278.396 2.213 10 0 CEAERO [NH3+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000054716818 527263559 /nfs/dbraw/zinc/26/35/59/527263559.db2.gz LJCZGYLQEKIUIR-UHFFFAOYSA-N 1 0 255.243 2.409 10 0 CEAERO [NH3+]Cc1occc1CN1CCN(c2ccccc2)CC1 ZINC000052417314 527269330 /nfs/dbraw/zinc/26/93/30/527269330.db2.gz GPAPKTRIEUUDTE-UHFFFAOYSA-N 1 0 271.364 2.061 10 0 CEAERO Cc1ncc(CNC[C@](C)([NH3+])c2ccccc2)s1 ZINC000052883530 527271866 /nfs/dbraw/zinc/27/18/66/527271866.db2.gz YUGMZUNCPOIOIZ-AWEZNQCLSA-N 1 0 261.394 2.415 10 0 CEAERO O=S1(=O)CC[C@H]([C@@H](C[NH2+]C2CC2)Cc2ccsc2)C1 ZINC000052951726 527312945 /nfs/dbraw/zinc/31/29/45/527312945.db2.gz DUYBRIIQDPUYLU-QWHCGFSZSA-N 1 0 299.461 2.094 10 0 CEAERO Cc1nccc(N2CCCC[C@@H]2C[NH2+]CC(C)C)n1 ZINC000054937631 527343484 /nfs/dbraw/zinc/34/34/84/527343484.db2.gz NAASPJMKRGLDHS-CQSZACIVSA-N 1 0 262.401 2.390 10 0 CEAERO [NH3+][C@@H]1CCCN(Cc2nc(Cl)ccc2Cl)C1 ZINC000061630474 527348573 /nfs/dbraw/zinc/34/85/73/527348573.db2.gz KYARCCFVTQFKIK-MRVPVSSYSA-N 1 0 260.168 2.312 10 0 CEAERO [NH3+][C@H](CC[C@@H]1CCCCO1)c1ccc2c(c1)NC(=O)CO2 ZINC000069389818 527385644 /nfs/dbraw/zinc/38/56/44/527385644.db2.gz XDLHIFCCRPBYCS-QWHCGFSZSA-N 1 0 290.363 2.367 10 0 CEAERO [NH3+][C@H](c1ccccc1)[C@@H](O)c1ccc2c(c1)OCO2 ZINC000054681929 527392061 /nfs/dbraw/zinc/39/20/61/527392061.db2.gz BWRHOZKZKTVQEU-CABCVRRESA-N 1 0 257.289 2.149 10 0 CEAERO [NH3+][C@H]1CCCCC[C@H]1NC(=O)Cc1cccs1 ZINC000063211885 527395359 /nfs/dbraw/zinc/39/53/59/527395359.db2.gz GBFTXKRAQKSIKT-NWDGAFQWSA-N 1 0 252.383 2.067 10 0 CEAERO Cc1ncn(C[C@H]2CC[C@@H](C[NH2+]C(C)(C)C)O2)c1C ZINC000052593729 527462713 /nfs/dbraw/zinc/46/27/13/527462713.db2.gz YXZWUPSHNJGJOU-UONOGXRCSA-N 1 0 265.401 2.436 10 0 CEAERO Cn1ccnc1[C@H]([NH3+])Cc1ccc(F)cc1Cl ZINC000069473872 527463275 /nfs/dbraw/zinc/46/32/75/527463275.db2.gz TXHBZKNZTFXQBE-LLVKDONJSA-N 1 0 253.708 2.455 10 0 CEAERO Nc1cc2ccccc2c(=O)n1CC[NH+]1CCCCC1 ZINC000049575427 527463747 /nfs/dbraw/zinc/46/37/47/527463747.db2.gz CSQNDUBUIBSTFB-UHFFFAOYSA-N 1 0 271.364 2.070 10 0 CEAERO OC1(c2ccccc2OC(F)(F)F)CC[NH2+]CC1 ZINC000055193334 527512913 /nfs/dbraw/zinc/51/29/13/527512913.db2.gz MWJFSRWOLBGCHD-UHFFFAOYSA-N 1 0 261.243 2.156 10 0 CEAERO OCCC[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC000052759532 527544277 /nfs/dbraw/zinc/54/42/77/527544277.db2.gz FZRYIAHVIZZDAI-LBPRGKRZSA-N 1 0 254.761 2.472 10 0 CEAERO FC(F)(F)COCCC[NH2+]CCc1ccncc1 ZINC000049312358 527669508 /nfs/dbraw/zinc/66/95/08/527669508.db2.gz WCJIOFQYZPKEIK-UHFFFAOYSA-N 1 0 262.275 2.183 10 0 CEAERO Cc1nn(C)c(N(C)C(C)C)c1C[NH2+]CC(C)C ZINC000062734548 527670114 /nfs/dbraw/zinc/67/01/14/527670114.db2.gz ZHAIRCCDDZUKOE-UHFFFAOYSA-N 1 0 252.406 2.319 10 0 CEAERO FC(F)(F)COCC[NH2+]Cc1ccc2c(c1)OCO2 ZINC000061674798 527670934 /nfs/dbraw/zinc/67/09/34/527670934.db2.gz JJMXBGPYDWHXSN-UHFFFAOYSA-N 1 0 277.242 2.084 10 0 CEAERO FC(F)(F)CO[C@H]1CCC[C@H]([NH2+]Cc2cncnc2)C1 ZINC000054767841 527671849 /nfs/dbraw/zinc/67/18/49/527671849.db2.gz DKXNXBYNBPCDIP-RYUDHWBXSA-N 1 0 289.301 2.456 10 0 CEAERO Cc1nn(C)c(N2CC[C@H](C)C2)c1C[NH2+]CC(C)C ZINC000062736633 527676947 /nfs/dbraw/zinc/67/69/47/527676947.db2.gz IHKCSTUYOLKEGQ-LBPRGKRZSA-N 1 0 264.417 2.320 10 0 CEAERO O[C@@]1(c2cccc3cnccc32)CC[N@@H+](C2CC2)C1 ZINC000061988525 527682066 /nfs/dbraw/zinc/68/20/66/527682066.db2.gz SMMDQGXMJUKKCQ-INIZCTEOSA-N 1 0 254.333 2.291 10 0 CEAERO CCC[C@H](C(=O)N1CCO[C@@H](c2cccs2)C1)[NH+](C)C ZINC000155003407 527974963 /nfs/dbraw/zinc/97/49/63/527974963.db2.gz BGRMHRIXUPAGFK-CHWSQXEVSA-N 1 0 296.436 2.378 10 0 CEAERO CCCCC(=O)N1CC[N@H+](CCOCC)[C@@H](CC)C1 ZINC000116767938 528083481 /nfs/dbraw/zinc/08/34/81/528083481.db2.gz HDPLAZXTFJFFDO-AWEZNQCLSA-N 1 0 270.417 2.136 10 0 CEAERO CC(C)n1ccnc1C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000412052158 528606193 /nfs/dbraw/zinc/60/61/93/528606193.db2.gz XKSHUZQMLSHKSO-MELADBBJSA-N 1 0 263.385 2.057 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)CCSc2ccccn2)C1 ZINC000152295651 529052240 /nfs/dbraw/zinc/05/22/40/529052240.db2.gz DBXCHPHKFCOKLB-CYBMUJFWSA-N 1 0 293.436 2.164 10 0 CEAERO CC[NH2+]CC1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000081587632 535461949 /nfs/dbraw/zinc/46/19/49/535461949.db2.gz ORVFMAXDUHPPDF-UHFFFAOYSA-N 1 0 288.317 2.321 10 0 CEAERO CCOCCCOc1ccccc1N1CCC[C@H]([NH3+])C1 ZINC000087326255 535553322 /nfs/dbraw/zinc/55/33/22/535553322.db2.gz BGMXPBIXYRRXLV-AWEZNQCLSA-N 1 0 278.396 2.420 10 0 CEAERO CCO[C@H]1CCCN(c2cncc(C[NH2+]C(C)(C)C)n2)C1 ZINC000091421052 535621352 /nfs/dbraw/zinc/62/13/52/535621352.db2.gz HYIDASPRVMLTHK-AWEZNQCLSA-N 1 0 292.427 2.370 10 0 CEAERO CC[C@H]1CN(c2ccc(N3CCOCC3)cc2)CCC[NH2+]1 ZINC000086296729 536160650 /nfs/dbraw/zinc/16/06/50/536160650.db2.gz LWMSDDOJFRUXRJ-HNNXBMFYSA-N 1 0 289.423 2.102 10 0 CEAERO C[NH2+][C@H]1CCCN(c2cccc3ccc(C)nc32)C1=O ZINC000071031459 536415311 /nfs/dbraw/zinc/41/53/11/536415311.db2.gz BNBLGJDZTVVBFR-ZDUSSCGKSA-N 1 0 269.348 2.258 10 0 CEAERO COc1ccc(OC)c(N2C[C@H](C3CC3)[NH2+]C[C@@H]2C)c1 ZINC000086179559 536832478 /nfs/dbraw/zinc/83/24/78/536832478.db2.gz KVDLUKBIGLWSLE-SMDDNHRTSA-N 1 0 276.380 2.281 10 0 CEAERO COc1ccccc1N1CC[NH+]([C@H]2CCC[C@H](O)C2)CC1 ZINC000093731516 537071534 /nfs/dbraw/zinc/07/15/34/537071534.db2.gz XLPROLVZOLIHLN-GJZGRUSLSA-N 1 0 290.407 2.121 10 0 CEAERO COc1cccc(N2CC[NH+](CC(C)(C)C(C)=O)CC2)c1 ZINC000091401909 537123340 /nfs/dbraw/zinc/12/33/40/537123340.db2.gz NOPXTZREEOUSPL-UHFFFAOYSA-N 1 0 290.407 2.432 10 0 CEAERO Cc1ccnc(CN2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)c1 ZINC000328170350 538838391 /nfs/dbraw/zinc/83/83/91/538838391.db2.gz KLSZEMQTQJUMOR-HOCLYGCPSA-N 1 0 259.397 2.449 10 0 CEAERO CC[NH+]1CCC2(CC1)NCC1(CC1)[C@@H](C(C)C)O2 ZINC000757146390 574510415 /nfs/dbraw/zinc/51/04/15/574510415.db2.gz RGYBDSHAJOUJLN-CYBMUJFWSA-N 1 0 252.402 2.223 10 0 CEAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(O)cc1 ZINC000757185020 574511604 /nfs/dbraw/zinc/51/16/04/574511604.db2.gz PCEWDMBOGUTQRI-STQMWFEESA-N 1 0 263.337 2.037 10 0 CEAERO C[N@@H+]1CCC[C@H]([C@@H]2CC[C@H](C(F)(F)F)NC2)C1 ZINC000757570377 574514123 /nfs/dbraw/zinc/51/41/23/574514123.db2.gz DNCPDAGEBJAXJG-OUAUKWLOSA-N 1 0 250.308 2.259 10 0 CEAERO C[C@H](N1CCC[C@]12C[NH2+]C[C@@H](C)C2)C(F)(F)F ZINC000757124368 574825760 /nfs/dbraw/zinc/82/57/60/574825760.db2.gz CFSQJXNUWOJPIJ-DCAQKATOSA-N 1 0 250.308 2.401 10 0 CEAERO C[C@@H]1C[C@@H](C)CC([NH3+])(CNC(=O)NC(C)(C)C)C1 ZINC000725255359 567915016 /nfs/dbraw/zinc/91/50/16/567915016.db2.gz ZWDQXRNMRNDSCA-GHMZBOCLSA-N 1 0 255.406 2.238 10 0 CEAERO CC(C)(C)OC(=O)[C@H](CCCC[NH3+])[C@@H]1CCOC1 ZINC000725272079 567925161 /nfs/dbraw/zinc/92/51/61/567925161.db2.gz YRBYZMPEBOTIIR-VXGBXAGGSA-N 1 0 257.374 2.110 10 0 CEAERO [NH3+]CC1([C@@H](O)c2cnn(Cc3ccccc3)c2)CCC1 ZINC000394469351 570282188 /nfs/dbraw/zinc/28/21/88/570282188.db2.gz DNHBIMDDFMJCOW-HNNXBMFYSA-N 1 0 271.364 2.094 10 0 CEAERO COc1ccc(Cl)cc1CN1CC[C@H]([NH3+])[C@H]1C ZINC000310273142 625436791 /nfs/dbraw/zinc/43/67/91/625436791.db2.gz IXQGYBWXUDYGEO-SKDRFNHKSA-N 1 0 254.761 2.270 10 0 CEAERO C[NH2+]C[C@@H]1CCN(c2cc(C(F)(F)F)ccn2)C1 ZINC000090803937 623115783 /nfs/dbraw/zinc/11/57/83/623115783.db2.gz SIGGVXJCQBHVCF-VIFPVBQESA-N 1 0 259.275 2.146 10 0 CEAERO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)/C=C/c2ccccc2)C1 ZINC000070173659 623118033 /nfs/dbraw/zinc/11/80/33/623118033.db2.gz FPUHBOAWVBPBKX-KSXXBGCLSA-N 1 0 294.420 2.046 10 0 CEAERO CCc1cc2c(ncnc2N2CC[C@@H](C[NH3+])C2)s1 ZINC000050249881 623374925 /nfs/dbraw/zinc/37/49/25/623374925.db2.gz MODKBBAPZKFDGU-VIFPVBQESA-N 1 0 262.382 2.039 10 0 CEAERO O=C1NCCC[C@H]1[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000050395261 623407009 /nfs/dbraw/zinc/40/70/09/623407009.db2.gz GPSYHHRYOYQDBG-VXGBXAGGSA-N 1 0 280.368 2.231 10 0 CEAERO [NH3+][C@H](CC1CCCCC1)C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000261768338 623450091 /nfs/dbraw/zinc/45/00/91/623450091.db2.gz VRDXZOJSKKDRPH-OWCLPIDISA-N 1 0 294.439 2.454 10 0 CEAERO Cc1nc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])sc1C ZINC000089460448 623996177 /nfs/dbraw/zinc/99/61/77/623996177.db2.gz SKPVBEFJMTWLJN-VHSXEESVSA-N 1 0 253.371 2.073 10 0 CEAERO Cc1ccc2oc(C(=O)N3C[C@H](C)[C@H]([NH3+])C3)cc2c1 ZINC000235687828 625710632 /nfs/dbraw/zinc/71/06/32/625710632.db2.gz VCOBZSSLSMFQHN-CMPLNLGQSA-N 1 0 258.321 2.160 10 0 CEAERO Cc1csc([C@H]2CCCN(CN3C[C@@H](C)CC3=O)C2)n1 ZINC000247165990 624600627 /nfs/dbraw/zinc/60/06/27/624600627.db2.gz KMGWTIRRFVEWES-AAEUAGOBSA-N 1 0 293.436 2.457 10 0 CEAERO Cc1ccnc(N2CCC[C@H]([NH3+])C2)c1Br ZINC000235924017 625792425 /nfs/dbraw/zinc/79/24/25/625792425.db2.gz JIMYAXCGGRFTPR-VIFPVBQESA-N 1 0 270.174 2.080 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)c(F)c1 ZINC000236174442 625904054 /nfs/dbraw/zinc/90/40/54/625904054.db2.gz QGCDEJMFFFCDPW-CABZTGNLSA-N 1 0 270.735 2.336 10 0 CEAERO C[NH+](C)[C@H]1CCN(Cn2nc(Cl)c3ccccc32)C1 ZINC000180368551 627316808 /nfs/dbraw/zinc/31/68/08/627316808.db2.gz MHAWMFPEAOCCKZ-NSHDSACASA-N 1 0 278.787 2.283 10 0 CEAERO CCN1CC[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)[C@H]2C)C1 ZINC000328531002 627889070 /nfs/dbraw/zinc/88/90/70/627889070.db2.gz XLFWQYWOXIAOTK-SZMVWBNQSA-N 1 0 287.451 2.333 10 0 CEAERO C[NH2+]C1(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)CCC1 ZINC000312015049 628056586 /nfs/dbraw/zinc/05/65/86/628056586.db2.gz XKDGVXDZWYYGAQ-VHSXEESVSA-N 1 0 278.318 2.366 10 0 CEAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1cnn(C)n1 ZINC000311093606 628361835 /nfs/dbraw/zinc/36/18/35/628361835.db2.gz RMNCYKUZFTVEKR-KWCYVHTRSA-N 1 0 250.390 2.366 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(COC)cc2)C1 ZINC000192511017 628381226 /nfs/dbraw/zinc/38/12/26/628381226.db2.gz KSWVQJXPYBNBIE-OAHLLOKOSA-N 1 0 291.395 2.439 10 0 CEAERO Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](C)C[C@@H]3C2)ccc1F ZINC000313067184 628577981 /nfs/dbraw/zinc/57/79/81/628577981.db2.gz UWXDFAUTKHKWLS-ZIAGYGMSSA-N 1 0 276.355 2.158 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1cc(C)no1 ZINC000094434278 628714444 /nfs/dbraw/zinc/71/44/44/628714444.db2.gz PDECIHNETMOXCZ-ZIAGYGMSSA-N 1 0 263.385 2.432 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1Cc1sccc1Br ZINC000261527365 628921812 /nfs/dbraw/zinc/92/18/12/628921812.db2.gz ABEALTSJERKJLH-VXNVDRBHSA-N 1 0 275.215 2.432 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1Cc1csc(Br)c1 ZINC000261527741 628921843 /nfs/dbraw/zinc/92/18/43/628921843.db2.gz GNUVYGXAHRNLKR-VXNVDRBHSA-N 1 0 275.215 2.432 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc(N(C)C)cc1 ZINC000094647329 628930889 /nfs/dbraw/zinc/93/08/89/628930889.db2.gz HRAQSVCXQBRJQU-SMDDNHRTSA-N 1 0 261.369 2.079 10 0 CEAERO CCS[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000261582473 628942245 /nfs/dbraw/zinc/94/22/45/628942245.db2.gz RFYDCVIOTHYRDN-QNWHQSFQSA-N 1 0 270.442 2.294 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1ccccc1Br ZINC000261597481 628943634 /nfs/dbraw/zinc/94/36/34/628943634.db2.gz ZCLYMBZARAEDIX-GZMMTYOYSA-N 1 0 283.169 2.011 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)c1occc1COc1ccccc1 ZINC000261731909 629165227 /nfs/dbraw/zinc/16/52/27/629165227.db2.gz LPNCYBWOPOGFEQ-GFCCVEGCSA-N 1 0 288.347 2.196 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)COc1ccc(C(C)C)c(C)c1 ZINC000261738531 629171105 /nfs/dbraw/zinc/17/11/05/629171105.db2.gz MGKGFCXQUJGTKU-CYBMUJFWSA-N 1 0 278.396 2.221 10 0 CEAERO CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NC[C@H](C)[NH2+]C ZINC000261794335 629238588 /nfs/dbraw/zinc/23/85/88/629238588.db2.gz RDSSZVQOBWBXAZ-FQUUOJAGSA-N 1 0 270.417 2.084 10 0 CEAERO C[C@@H](C[NH3+])c1noc(Cc2ccc(Br)cc2)n1 ZINC000054158837 629263495 /nfs/dbraw/zinc/26/34/95/629263495.db2.gz KNKCBYSVBPNCQZ-QMMMGPOBSA-N 1 0 296.168 2.485 10 0 CEAERO Cc1nccn1-c1ccc([C@H](C)NC(=O)C[C@@H](C)[NH3+])cc1 ZINC000261890441 629304688 /nfs/dbraw/zinc/30/46/88/629304688.db2.gz TUWLGWBEGYHDQM-NEPJUHHUSA-N 1 0 286.379 2.095 10 0 CEAERO Fc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000261905716 629310034 /nfs/dbraw/zinc/31/00/34/629310034.db2.gz IEJJHBAHDUNSQD-FVQBIDKESA-N 1 0 278.371 2.072 10 0 CEAERO [NH3+]C[C@@H]1CCCN(c2cccc(C(F)(F)F)n2)C1 ZINC000044532226 629390692 /nfs/dbraw/zinc/39/06/92/629390692.db2.gz QJBWLTHCFNJSIR-VIFPVBQESA-N 1 0 259.275 2.276 10 0 CEAERO CC(=O)[C@@H]1CCCN(CC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000319864717 629408784 /nfs/dbraw/zinc/40/87/84/629408784.db2.gz APKFPULRSDNBJQ-OFQRWUPVSA-N 1 0 266.429 2.265 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1cccc(C(F)(F)F)c1F ZINC000261660381 629835524 /nfs/dbraw/zinc/83/55/24/629835524.db2.gz FBHIDLJZTMQBSK-XCBNKYQSSA-N 1 0 290.260 2.406 10 0 CEAERO C[C@H](CC1CCCC1)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000237367302 630484978 /nfs/dbraw/zinc/48/49/78/630484978.db2.gz HMWJWNHRQMYSJY-BNOWGMLFSA-N 1 0 252.402 2.446 10 0 CEAERO CCO[C@H]1C[C@@H](NC(=[NH2+])NC2CCCC2)C12CCOCC2 ZINC000248645269 630782762 /nfs/dbraw/zinc/78/27/62/630782762.db2.gz QVJSOBYGRMMOHF-KGLIPLIRSA-N 1 0 295.427 2.017 10 0 CEAERO COc1cccc(Cc2noc(C[C@H]3CCC[NH2+]C3)n2)c1 ZINC000054301508 631143268 /nfs/dbraw/zinc/14/32/68/631143268.db2.gz NEZJOACFNHQYRR-CYBMUJFWSA-N 1 0 287.363 2.211 10 0 CEAERO CCn1cc(C2CCN(C(=O)CCCCC[NH3+])CC2)cn1 ZINC000155640445 637634666 /nfs/dbraw/zinc/63/46/66/637634666.db2.gz HPQJHSGFLHKPPH-UHFFFAOYSA-N 1 0 292.427 2.128 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)Nc1cc(Cl)nc(N)n1 ZINC000156666859 639370395 /nfs/dbraw/zinc/37/03/95/639370395.db2.gz LGELZMSTUYKENJ-SECBINFHSA-N 1 0 271.796 2.100 10 0 CEAERO COC(=O)[C@@H]1C[NH2+]C[C@@]12CCC[C@H](C(F)(F)F)C2 ZINC000166435331 639465160 /nfs/dbraw/zinc/46/51/60/639465160.db2.gz NOMIFGKAJPRNTJ-QXEWZRGKSA-N 1 0 265.275 2.118 10 0 CEAERO CCC1CCC(c2noc([C@H](C[NH3+])OC)n2)CC1 ZINC000227299303 639580482 /nfs/dbraw/zinc/58/04/82/639580482.db2.gz ONJBUVVZXOQSDC-ILDUYXDCSA-N 1 0 253.346 2.400 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C[C@@H](O)c1ccc(C)cc1 ZINC000227322029 639586102 /nfs/dbraw/zinc/58/61/02/639586102.db2.gz VASHOJHASLATHW-IAGOWNOFSA-N 1 0 276.424 2.445 10 0 CEAERO C[C@H](C[C@H](C)[NH3+])Nc1ccccc1S(=O)(=O)C(F)F ZINC000228270074 639627212 /nfs/dbraw/zinc/62/72/12/639627212.db2.gz HHQJLULFLDEYNL-DTWKUNHWSA-N 1 0 292.351 2.221 10 0 CEAERO OCCCCC[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000229127680 639677311 /nfs/dbraw/zinc/67/73/11/639677311.db2.gz RVIBXIIWMCWSAF-ZDUSSCGKSA-N 1 0 291.313 2.491 10 0 CEAERO COCCN(C)CC[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000061374814 639700448 /nfs/dbraw/zinc/70/04/48/639700448.db2.gz QYJQGKHVUVNLRN-ZIAGYGMSSA-N 1 0 256.434 2.369 10 0 CEAERO CC(C)/C=C\C[N@@H+]1CC[C@@H](CNC(=O)C2CCC2)C1 ZINC000229541346 639705935 /nfs/dbraw/zinc/70/59/35/639705935.db2.gz APIAPADSHORTNI-WSNITJDQSA-N 1 0 264.413 2.437 10 0 CEAERO C[NH+](C)[C@H]1CCN(Cn2ccc(-c3ccc(F)cc3)n2)C1 ZINC000171559939 639722929 /nfs/dbraw/zinc/72/29/29/639722929.db2.gz OVCPUJVZGMINHZ-HNNXBMFYSA-N 1 0 288.370 2.283 10 0 CEAERO CC(C)Cc1nnc(NC(=O)[C@H]2C[C@H](C)CC[NH2+]2)s1 ZINC000230295188 639753558 /nfs/dbraw/zinc/75/35/58/639753558.db2.gz MRQARUHBJLKYLJ-NXEZZACHSA-N 1 0 282.413 2.063 10 0 CEAERO CCC1CCC(NC(=O)[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000062859875 639789480 /nfs/dbraw/zinc/78/94/80/639789480.db2.gz JPRWHYUCYBQNAY-PIMMBPRGSA-N 1 0 252.402 2.461 10 0 CEAERO C[C@@H](C[NH3+])c1noc(-c2cc(F)c(F)c(F)c2)n1 ZINC000063008642 639818263 /nfs/dbraw/zinc/81/82/63/639818263.db2.gz LSHHAYSRQXSBPC-YFKPBYRVSA-N 1 0 257.215 2.216 10 0 CEAERO c1ccc(OCCc2nc(C[C@H]3CCC[NH2+]C3)no2)cc1 ZINC000063084547 639824091 /nfs/dbraw/zinc/82/40/91/639824091.db2.gz XAXOQMYVZMUWFR-CYBMUJFWSA-N 1 0 287.363 2.233 10 0 CEAERO CC(C)C[C@H](C[NH3+])CC(=O)N[C@H]1COc2ccccc21 ZINC000088289476 639955062 /nfs/dbraw/zinc/95/50/62/639955062.db2.gz QLGQPMOEDANYOX-JSGCOSHPSA-N 1 0 276.380 2.247 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CCOC2)C1 ZINC000088698038 639999617 /nfs/dbraw/zinc/99/96/17/639999617.db2.gz YDHBIFMNSCAZLX-QWHCGFSZSA-N 1 0 284.400 2.012 10 0 CEAERO CC[C@H]1CN(CCc2cccs2)CC[N@@H+]1C[C@@H](C)O ZINC000105827844 640936279 /nfs/dbraw/zinc/93/62/79/640936279.db2.gz KLTVUHPSPVLFIZ-KGLIPLIRSA-N 1 0 282.453 2.068 10 0 CEAERO CC(C)Nc1ncnc2c1ncn2C[N@@H+]1CC[C@H](C)[C@H]1C ZINC000174956540 641296013 /nfs/dbraw/zinc/29/60/13/641296013.db2.gz HISXVIRNSCJVOQ-NWDGAFQWSA-N 1 0 288.399 2.334 10 0 CEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1cc(C)ccc1F ZINC000233705339 641335381 /nfs/dbraw/zinc/33/53/81/641335381.db2.gz GYCHSCRZMBAKLR-VXGBXAGGSA-N 1 0 251.301 2.000 10 0 CEAERO C(C[C@@H]1CCCCO1)c1nc(C[C@@H]2CCC[NH2+]C2)no1 ZINC000069403401 641539227 /nfs/dbraw/zinc/53/92/27/641539227.db2.gz XBKHQQXSKUAAHU-STQMWFEESA-N 1 0 279.384 2.113 10 0 CEAERO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)/C=C/c2ccccc2)C1 ZINC000070170397 641640126 /nfs/dbraw/zinc/64/01/26/641640126.db2.gz HOBHUGPRAQVPNB-RZXPCSSPSA-N 1 0 294.420 2.048 10 0 CEAERO CCC(CC)(CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])SC ZINC000227431019 643357965 /nfs/dbraw/zinc/35/79/65/643357965.db2.gz JPXSMBZKBMEVOL-VXGBXAGGSA-N 1 0 272.458 2.399 10 0 CEAERO C[NH2+]C[C@@H]1CCN(c2ncc(Br)cc2C)C1 ZINC000086708506 643380617 /nfs/dbraw/zinc/38/06/17/643380617.db2.gz SLAIVOMWIUEIDG-JTQLQIEISA-N 1 0 284.201 2.198 10 0 CEAERO C[NH2+]C[C@H]1CCCN(c2ncnc3sc(C)cc32)C1 ZINC000110779225 643511578 /nfs/dbraw/zinc/51/15/78/643511578.db2.gz ARJMRTIPHLIGII-LLVKDONJSA-N 1 0 276.409 2.436 10 0 CEAERO CCS(=O)(=O)c1ccc(N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000111715938 643935454 /nfs/dbraw/zinc/93/54/54/643935454.db2.gz XFGNCVADPDRGMQ-OLZOCXBDSA-N 1 0 296.436 2.044 10 0 CEAERO O=C(Nc1cccnc1Cl)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000126739952 650926445 /nfs/dbraw/zinc/92/64/45/650926445.db2.gz YDRCXROSKLDKQY-LLVKDONJSA-N 1 0 294.786 2.437 10 0 CEAERO CCCCCCNC(=O)N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC000117468784 645784843 /nfs/dbraw/zinc/78/48/43/645784843.db2.gz SAKFYXWGLCJDRA-HNNXBMFYSA-N 1 0 299.459 2.319 10 0 CEAERO [NH3+][C@@H](CC(=O)NC1C2CC3CC(C2)CC1C3)C1CC1 ZINC000123705175 649116413 /nfs/dbraw/zinc/11/64/13/649116413.db2.gz SSKIIXOYEPREKT-OPOFEFIVSA-N 1 0 262.397 2.055 10 0 CEAERO C[C@@H]([NH3+])C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000019475020 649376419 /nfs/dbraw/zinc/37/64/19/649376419.db2.gz SOPGEVJJXMXDGC-KUWSCQPZSA-N 1 0 250.386 2.055 10 0 CEAERO C[C@H]1CC[C@H](C(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)O1 ZINC000124496613 649655559 /nfs/dbraw/zinc/65/55/59/649655559.db2.gz CYPOICAOBHADNB-NUEKZKHPSA-N 1 0 289.375 2.372 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1Nc1ccc(Br)cn1 ZINC000129521939 652007660 /nfs/dbraw/zinc/00/76/60/652007660.db2.gz IMIRQOBEXFQQDT-SCZZXKLOSA-N 1 0 270.174 2.397 10 0 CEAERO CCOc1ccccc1[C@@H](C)[NH2+]CC[S@](C)=O ZINC000131423253 652424247 /nfs/dbraw/zinc/42/42/47/652424247.db2.gz QFTCVEPTWBHJNK-PIGZYNQJSA-N 1 0 255.383 2.114 10 0 CEAERO CC[C@@]1(C)C[N@H+](C[C@](C)(O)c2ccccc2)CCO1 ZINC000135645556 652977859 /nfs/dbraw/zinc/97/78/59/652977859.db2.gz CIUDTPPOPVFTAJ-HOTGVXAUSA-N 1 0 263.381 2.395 10 0 CEAERO COC(=O)c1cc(NC(=O)[C@@]2(C)CCCC[NH2+]2)ccc1F ZINC000136153665 653046454 /nfs/dbraw/zinc/04/64/54/653046454.db2.gz QJPCESRZTFMNQZ-OAHLLOKOSA-N 1 0 294.326 2.083 10 0 CEAERO C[NH+](C)[C@H]1CCCN(c2nc(Cl)nc3cc[nH]c32)C1 ZINC000693098280 721884724 /nfs/dbraw/zinc/88/47/24/721884724.db2.gz CCQBKFLBWBCVCG-VIFPVBQESA-N 1 0 279.775 2.142 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(c2nc(Cl)nc3cc[nH]c32)C1 ZINC000693098279 721884780 /nfs/dbraw/zinc/88/47/80/721884780.db2.gz CCQBKFLBWBCVCG-SECBINFHSA-N 1 0 279.775 2.142 10 0 CEAERO C[NH2+][C@H]1c2ccccc2CC[C@@H]1S(=O)(=O)C(C)C ZINC000081980148 177910453 /nfs/dbraw/zinc/91/04/53/177910453.db2.gz OPFDVDLTANLTHP-KBPBESRZSA-N 1 0 267.394 2.085 10 0 CEAERO CCC[NH2+][C@H](C)[C@H](C)S(=O)(=O)CC1CCCC1 ZINC000081991126 177915336 /nfs/dbraw/zinc/91/53/36/177915336.db2.gz AGOJCYSJTMGKNJ-NEPJUHHUSA-N 1 0 261.431 2.368 10 0 CEAERO C[C@@H]1CC[C@H](C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)O1 ZINC000124574022 187143750 /nfs/dbraw/zinc/14/37/50/187143750.db2.gz ZYWXKYDTDWFYPT-BYCMXARLSA-N 1 0 294.370 2.112 10 0 CEAERO CCN1CCN(c2nc(C(C)C)c(C[NH2+]C)s2)CC1 ZINC000082434909 178012010 /nfs/dbraw/zinc/01/20/10/178012010.db2.gz PGYUHRPCKUNNMF-UHFFFAOYSA-N 1 0 282.457 2.128 10 0 CEAERO C[NH2+]Cc1sc(N2CCCC[C@H]2C)nc1COC ZINC000082447159 178025746 /nfs/dbraw/zinc/02/57/46/178025746.db2.gz HSDNPLPMMXYWDF-SNVBAGLBSA-N 1 0 269.414 2.388 10 0 CEAERO CCCc1nc(Cl)cc(NCCC[NH+](C)C)n1 ZINC000082509780 178076711 /nfs/dbraw/zinc/07/67/11/178076711.db2.gz ZSMYSVJGRCFURA-UHFFFAOYSA-N 1 0 256.781 2.446 10 0 CEAERO CCCOCCOc1ncc(Br)cc1C[NH3+] ZINC000082534134 178089179 /nfs/dbraw/zinc/08/91/79/178089179.db2.gz CNTOVVQZOMKIAS-UHFFFAOYSA-N 1 0 289.173 2.108 10 0 CEAERO [NH3+]Cc1cn(-c2ccccc2Br)cn1 ZINC000082555816 178091679 /nfs/dbraw/zinc/09/16/79/178091679.db2.gz LHZFBONMQHZGQV-UHFFFAOYSA-N 1 0 252.115 2.094 10 0 CEAERO Brc1cncc(C[C@@H]2CCC[NH2+]C2)c1 ZINC000095826310 185028829 /nfs/dbraw/zinc/02/88/29/185028829.db2.gz DZTPJNNKCGOFLH-VIFPVBQESA-N 1 0 255.159 2.386 10 0 CEAERO Cc1ccc(CC[N@@H+]2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000124638644 187146713 /nfs/dbraw/zinc/14/67/13/187146713.db2.gz XBHZCKGGQOVOIA-QGZVFWFLSA-N 1 0 285.391 2.135 10 0 CEAERO c1nc(CCNC2=[NH+]C[C@H](C3CC3)S2)cs1 ZINC000082626564 178140339 /nfs/dbraw/zinc/14/03/39/178140339.db2.gz JWLVMCZVJVWQEK-SNVBAGLBSA-N 1 0 253.396 2.157 10 0 CEAERO Cc1cnn(C[C@H]2C[N@H+](CCc3ccc(C)cc3)CCO2)c1 ZINC000124642555 187147139 /nfs/dbraw/zinc/14/71/39/187147139.db2.gz BEURWXMJIMVZEQ-GOSISDBHSA-N 1 0 299.418 2.443 10 0 CEAERO Cc1ccc([C@@H](C)[NH2+]C2CCN(C(N)=O)CC2)cc1C ZINC000121516581 365578622 /nfs/dbraw/zinc/57/86/22/365578622.db2.gz LJRZYODUVTUFRP-CYBMUJFWSA-N 1 0 275.396 2.497 10 0 CEAERO O=C(CCCc1nc2ccccc2s1)N[C@@H]1CC[NH2+]C1 ZINC000127738505 187330494 /nfs/dbraw/zinc/33/04/94/187330494.db2.gz XILDISJGVDIOHW-LLVKDONJSA-N 1 0 289.404 2.097 10 0 CEAERO CN1c2ccc([C@H]([NH3+])c3ccccc3)cc2CC1=O ZINC000034940646 361798290 /nfs/dbraw/zinc/79/82/90/361798290.db2.gz PNMXAHZLEFKVQJ-MRXNPFEDSA-N 1 0 252.317 2.254 10 0 CEAERO Cn1cc([C@H]([NH3+])Cc2c(F)cccc2Cl)cn1 ZINC000034957610 361800131 /nfs/dbraw/zinc/80/01/31/361800131.db2.gz IWKTYQFZDKMZIT-GFCCVEGCSA-N 1 0 253.708 2.455 10 0 CEAERO COc1ccc(CN2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC000082728996 178245515 /nfs/dbraw/zinc/24/55/15/178245515.db2.gz VBGCYWBAEZHRIR-ZBFHGGJFSA-N 1 0 260.381 2.269 10 0 CEAERO COc1ccccc1CN1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC000082729000 178245778 /nfs/dbraw/zinc/24/57/78/178245778.db2.gz KGNODUNWFMYOGS-HIFRSBDPSA-N 1 0 260.381 2.269 10 0 CEAERO CC[NH2+]CC[S@@](=O)c1ccccc1Br ZINC000082747318 178269449 /nfs/dbraw/zinc/26/94/49/178269449.db2.gz ZVMLVFYSSLBYHM-AWEZNQCLSA-N 1 0 276.199 2.166 10 0 CEAERO CC[NH2+][C@@H](C)C[C@@H](C)S(=O)(=O)c1cccs1 ZINC000082798421 178301767 /nfs/dbraw/zinc/30/17/67/178301767.db2.gz PUDMMOQRZNSFSQ-VHSXEESVSA-N 1 0 261.412 2.298 10 0 CEAERO CC[NH2+][C@@H](CCO)c1ccc(Br)cc1 ZINC000082918140 178329993 /nfs/dbraw/zinc/32/99/93/178329993.db2.gz XHDVHNSTOZRDNJ-NSHDSACASA-N 1 0 258.159 2.482 10 0 CEAERO CC(C)[C@H]1C[NH2+]CCN1CCc1ccccc1F ZINC000083383636 178386226 /nfs/dbraw/zinc/38/62/26/178386226.db2.gz LZEYRUVPDZNUPX-OAHLLOKOSA-N 1 0 250.361 2.298 10 0 CEAERO C[NH2+]C[C@@](C)(O)c1cc(Br)ccc1F ZINC000083255896 178371798 /nfs/dbraw/zinc/37/17/98/178371798.db2.gz FVQVKEQRJDZKDB-SNVBAGLBSA-N 1 0 262.122 2.015 10 0 CEAERO C[C@@H](CO)C[NH2+]CCOc1ccc(Br)cc1 ZINC000083386298 178394741 /nfs/dbraw/zinc/39/47/41/178394741.db2.gz UQTTWSLPZCTEEH-SNVBAGLBSA-N 1 0 288.185 2.046 10 0 CEAERO [NH3+]CCc1cccc(S(=O)(=O)c2ccccc2)c1 ZINC000036093365 361827460 /nfs/dbraw/zinc/82/74/60/361827460.db2.gz PXOKRWBUDGQCDL-UHFFFAOYSA-N 1 0 261.346 2.021 10 0 in-vivo CEAERO CC(C)Nc1cccc(C(=O)N(C)C2CC[NH+](C)CC2)n1 ZINC000096779279 185113070 /nfs/dbraw/zinc/11/30/70/185113070.db2.gz IRKXXYHCAOHLFG-UHFFFAOYSA-N 1 0 290.411 2.068 10 0 CEAERO Cc1sc(-c2ccco2)nc1C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000335506165 212189427 /nfs/dbraw/zinc/18/94/27/212189427.db2.gz WOCGWUVAPMVCBI-WCBMZHEXSA-N 1 0 291.376 2.273 10 0 CEAERO COc1cc(OC)c([C@H](C[NH3+])C2CC2)c(OC)c1 ZINC000096890804 185124018 /nfs/dbraw/zinc/12/40/18/185124018.db2.gz RLYYBXIHGYQEHB-LLVKDONJSA-N 1 0 251.326 2.165 10 0 CEAERO c1ccc(CN2CCOC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000096949591 185138541 /nfs/dbraw/zinc/13/85/41/185138541.db2.gz PHLSMJDCPJXLCL-HOTGVXAUSA-N 1 0 260.381 2.030 10 0 CEAERO CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000096958540 185141458 /nfs/dbraw/zinc/14/14/58/185141458.db2.gz LGXLMDDEBCEULE-NEPJUHHUSA-N 1 0 254.374 2.386 10 0 CEAERO CC[C@@H]([NH3+])C(=O)Cc1ccc(Br)cc1 ZINC000096957615 185141587 /nfs/dbraw/zinc/14/15/87/185141587.db2.gz QQTNORUJVJRCIO-SNVBAGLBSA-N 1 0 256.143 2.298 10 0 CEAERO Fc1ccc(-n2cncc2C2C[NH2+]C2)c(Br)c1 ZINC000097014214 185152157 /nfs/dbraw/zinc/15/21/57/185152157.db2.gz GBWUECIPGDHQLU-UHFFFAOYSA-N 1 0 296.143 2.461 10 0 CEAERO CC(C)C[NH2+]C[C@@H](O)CO[C@@H](C)c1ccccc1 ZINC000037852112 361954981 /nfs/dbraw/zinc/95/49/81/361954981.db2.gz JAPUDWDLLBJQGJ-DZGCQCFKSA-N 1 0 251.370 2.371 10 0 CEAERO COc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2O)cc1OC ZINC000037891682 361959636 /nfs/dbraw/zinc/95/96/36/361959636.db2.gz GHZQKJYAWXTJEB-ZIAGYGMSSA-N 1 0 279.380 2.487 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]Cc2ccccc2C2CC2)C1 ZINC000122002375 539032477 /nfs/dbraw/zinc/03/24/77/539032477.db2.gz IFMQAFHBOXKMFO-INIZCTEOSA-N 1 0 274.408 2.374 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nnc(C(C)C)o1 ZINC000175051101 529408476 /nfs/dbraw/zinc/40/84/76/529408476.db2.gz DZKNTUDTNDSGPI-CHWSQXEVSA-N 1 0 278.400 2.252 10 0 CEAERO Cc1cc(C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)cc(Cl)n1 ZINC000125801275 187200809 /nfs/dbraw/zinc/20/08/09/187200809.db2.gz RVNANVWZUNEMIH-LLVKDONJSA-N 1 0 281.787 2.067 10 0 CEAERO [NH3+][C@@H]1C[C@]12CNc1ccc(Br)c(Cl)c12 ZINC000725247694 539192561 /nfs/dbraw/zinc/19/25/61/539192561.db2.gz UVCTXCZXPHUPRR-XCBNKYQSSA-N 1 0 273.561 2.497 10 0 CEAERO CCC(=O)N(c1nc(CC)cs1)C1CC[NH2+]CC1 ZINC000725241749 539190446 /nfs/dbraw/zinc/19/04/46/539190446.db2.gz ORAJOIKRLNPGEI-UHFFFAOYSA-N 1 0 267.398 2.201 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]1)c1ccc(Br)cn1 ZINC000725256688 539202416 /nfs/dbraw/zinc/20/24/16/539202416.db2.gz FMJMWXXHFYSPLQ-SECBINFHSA-N 1 0 269.142 2.169 10 0 CEAERO CC[C@@]1(N)C[NH2+]C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000725262795 539211691 /nfs/dbraw/zinc/21/16/91/539211691.db2.gz QVGLTCVDVABRDZ-VXGBXAGGSA-N 1 0 258.287 2.500 10 0 CEAERO CCCCNC(=O)N[C@H]1CC[NH2+]CC[C@@H]1C(F)(F)F ZINC000725262862 539211700 /nfs/dbraw/zinc/21/17/00/539211700.db2.gz PSOLQUWLOLBJDV-UWVGGRQHSA-N 1 0 281.322 2.016 10 0 CEAERO CC(C)CC(=O)N1CC[C@H]([NH3+])[C@@H](C(F)(F)F)CC1 ZINC000725262959 539211861 /nfs/dbraw/zinc/21/18/61/539211861.db2.gz XUKVIBFASJYHMA-UWVGGRQHSA-N 1 0 266.307 2.161 10 0 CEAERO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H]2CCOC23CCCC3)C1 ZINC000725263994 539212453 /nfs/dbraw/zinc/21/24/53/539212453.db2.gz ZQXFCBUPQSZIBC-KGLIPLIRSA-N 1 0 281.396 2.363 10 0 CEAERO CC(C)([NH3+])c1cccc2c1CCCN2S(=O)(=O)C1CC1 ZINC000725270079 539215017 /nfs/dbraw/zinc/21/50/17/539215017.db2.gz DYLYRAQIKMOBME-UHFFFAOYSA-N 1 0 294.420 2.125 10 0 CEAERO OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccncc1Cl ZINC000231041990 539227790 /nfs/dbraw/zinc/22/77/90/539227790.db2.gz OXDDSECIMSRMMV-AAEUAGOBSA-N 1 0 254.761 2.376 10 0 CEAERO CCC(CC)NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247297195 282207383 /nfs/dbraw/zinc/20/73/83/282207383.db2.gz LEMOMVKQECIOHT-YPMHNXCESA-N 1 0 255.406 2.203 10 0 CEAERO C[N@@H+](Cc1ccccc1)C[C@H](O)CN1CCC[C@H]1C(F)F ZINC000677737830 539265947 /nfs/dbraw/zinc/26/59/47/539265947.db2.gz QMAZZVKVQFHPQC-GJZGRUSLSA-N 1 0 298.377 2.209 10 0 CEAERO N[C@]1(c2nccs2)CC[N@H+](Cc2ccccc2)C1 ZINC000041182163 362024212 /nfs/dbraw/zinc/02/42/12/362024212.db2.gz PERQCIVNKOUVBQ-CQSZACIVSA-N 1 0 259.378 2.203 10 0 CEAERO CS[C@H](C)C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000042853430 362124585 /nfs/dbraw/zinc/12/45/85/362124585.db2.gz BRKTYVYGLWAQDX-DGCLKSJQSA-N 1 0 266.410 2.157 10 0 CEAERO CN1C(=O)[C@H](C[NH+]2CCCCC2)C[C@@H]1C#Cc1ccccc1 ZINC000035823660 343422381 /nfs/dbraw/zinc/42/23/81/343422381.db2.gz VKXYLXZLODSKCD-ROUUACIJSA-N 1 0 296.414 2.371 10 0 CEAERO COC(=O)C[C@@H]([NH3+])c1cc(Br)ccc1OC ZINC000034961680 343421422 /nfs/dbraw/zinc/42/14/22/343421422.db2.gz DCBGEQZCKQFXFC-SECBINFHSA-N 1 0 288.141 2.021 10 0 CEAERO COC(=O)C[C@H]([NH3+])c1cncc(CCc2ccccc2)c1 ZINC000038956999 343434859 /nfs/dbraw/zinc/43/48/59/343434859.db2.gz RLROAGNNUOVXCN-INIZCTEOSA-N 1 0 284.359 2.430 10 0 CEAERO COC1CC([NH2+][C@@H](C)CN(C)Cc2ccccc2)C1 ZINC000336699816 365765002 /nfs/dbraw/zinc/76/50/02/365765002.db2.gz DINVZQWQPCKPEA-JEYLPNPQSA-N 1 0 262.397 2.274 10 0 CEAERO O[C@H](COCc1ccccc1)C[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000336710775 365774042 /nfs/dbraw/zinc/77/40/42/365774042.db2.gz KVRBJFDPNWUHQK-JYJNAYRXSA-N 1 0 261.365 2.048 10 0 CEAERO Cc1[nH]nc2ncnc(-c3cccc(C4(C[NH3+])CC4)c3)c12 ZINC000072318440 343803477 /nfs/dbraw/zinc/80/34/77/343803477.db2.gz BXVBGVHHDNMMNZ-UHFFFAOYSA-N 1 0 279.347 2.319 10 0 CEAERO C[NH2+]Cc1cnc2c(N)nc3cc(C)ccc3c2c1 ZINC000115956639 344284857 /nfs/dbraw/zinc/28/48/57/344284857.db2.gz PVTHNXOCAPHTNS-UHFFFAOYSA-N 1 0 252.321 2.393 10 0 CEAERO CC(C)([NH3+])[C@H](O)c1sccc1Br ZINC000129110762 344341399 /nfs/dbraw/zinc/34/13/99/344341399.db2.gz KPAOATTVPKLOKV-SSDOTTSWSA-N 1 0 250.161 2.281 10 0 CEAERO Cc1cc(Cl)ccc1NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129593629 344345072 /nfs/dbraw/zinc/34/50/72/344345072.db2.gz FIMSCMAJYBTCEK-UHFFFAOYSA-N 1 0 295.814 2.271 10 0 CEAERO Cc1ccc([C@@H](C[NH3+])N(C)C)c(Br)c1 ZINC000129633030 344345593 /nfs/dbraw/zinc/34/55/93/344345593.db2.gz ORCYAGQIPSLZIJ-LLVKDONJSA-N 1 0 257.175 2.319 10 0 CEAERO [NH3+][C@H]1CCC[C@@H](C(=O)N(C2CC2)C2CCCC2)C1 ZINC000151315911 344420758 /nfs/dbraw/zinc/42/07/58/344420758.db2.gz FXVOHPUYABVNCY-NEPJUHHUSA-N 1 0 250.386 2.438 10 0 CEAERO CCN1CCO[C@H](C[NH2+]Cc2cc(C)ccc2C)C1 ZINC000134435521 344373961 /nfs/dbraw/zinc/37/39/61/344373961.db2.gz CKKZADXQCIMLFQ-MRXNPFEDSA-N 1 0 262.397 2.114 10 0 CEAERO COc1c(C[NH2+]CC(C2CC2)C2CC2)c(C)nn1C ZINC000135235732 344380846 /nfs/dbraw/zinc/38/08/46/344380846.db2.gz MQENXNYGUMHNMW-UHFFFAOYSA-N 1 0 263.385 2.263 10 0 CEAERO C[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCCc2ccccc21 ZINC000139250943 344392709 /nfs/dbraw/zinc/39/27/09/344392709.db2.gz YVJJOSMNCHTZEB-GOEBONIOSA-N 1 0 287.407 2.457 10 0 CEAERO [NH3+]C[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1 ZINC000143484827 344405899 /nfs/dbraw/zinc/40/58/99/344405899.db2.gz SDFTVHVPMKAQAE-IBGZPJMESA-N 1 0 295.430 2.332 10 0 CEAERO C[C@H]1C[C@@H]([NH3+])CCN1c1nc(Br)cs1 ZINC000169027687 344480722 /nfs/dbraw/zinc/48/07/22/344480722.db2.gz IIQSENAUICWUGI-BQBZGAKWSA-N 1 0 276.203 2.222 10 0 CEAERO [NH3+][C@@]12CC[C@@](NC(=O)c3cccc(F)c3)(C1)CCC2 ZINC000169181414 344481521 /nfs/dbraw/zinc/48/15/21/344481521.db2.gz NIWAKPCNWODWLC-LSDHHAIUSA-N 1 0 262.328 2.360 10 0 CEAERO Cc1ccc(CCC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000170857062 344491665 /nfs/dbraw/zinc/49/16/65/344491665.db2.gz PEWWILGNODSTGE-HNNXBMFYSA-N 1 0 260.381 2.090 10 0 CEAERO Brc1ccc2c(c1)NC[C@@]21CC[NH2+]C1 ZINC000211148160 344531575 /nfs/dbraw/zinc/53/15/75/344531575.db2.gz SBHXNHQWRCTHHF-NSHDSACASA-N 1 0 253.143 2.106 10 0 CEAERO Cc1sc(CN2CC[NH2+]CC2)cc1Br ZINC000214845087 344533843 /nfs/dbraw/zinc/53/38/43/344533843.db2.gz OHSDGYYXHCMKAP-UHFFFAOYSA-N 1 0 275.215 2.224 10 0 CEAERO Cc1nc2c([nH]1)C[C@@H](C(=O)Nc1ccc(O)cc1)CC2 ZINC000220593671 344538713 /nfs/dbraw/zinc/53/87/13/344538713.db2.gz ISPWBMVKTLTDGO-JTQLQIEISA-N 1 0 271.320 2.167 10 0 CEAERO CCCC[C@H](CCC)NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000226069016 344548609 /nfs/dbraw/zinc/54/86/09/344548609.db2.gz YKVMNJXXFLSHGN-AWEZNQCLSA-N 1 0 283.460 2.145 10 0 CEAERO Cc1sc([C@H]2COC(=[NH2+])N2)cc1Br ZINC000227983968 344558117 /nfs/dbraw/zinc/55/81/17/344558117.db2.gz MWLGLRCJABVAKS-ZCFIWIBFSA-N 1 0 261.144 2.205 10 0 CEAERO C[C@H](c1ccc(Br)o1)N1CC[C@@H]([NH3+])C1 ZINC000228804100 344563786 /nfs/dbraw/zinc/56/37/86/344563786.db2.gz MBZQGSLDZOXJJW-HTQZYQBOSA-N 1 0 259.147 2.136 10 0 CEAERO CC[C@H]([NH2+][C@@H]1CCCNC1=O)c1ccc(F)cc1 ZINC000050394471 362418781 /nfs/dbraw/zinc/41/87/81/362418781.db2.gz QNQDEOMDCRPBSB-QWHCGFSZSA-N 1 0 250.317 2.145 10 0 CEAERO C[C@@]1(c2ccc(I)cc2)C[C@H]1[NH3+] ZINC000235419406 344590917 /nfs/dbraw/zinc/59/09/17/344590917.db2.gz LBCQXQKYWYKXRD-ZJUUUORDSA-N 1 0 273.117 2.280 10 0 CEAERO [NH3+][C@H]1CCO[C@H]1c1cc(F)ccc1Br ZINC000236328744 344595432 /nfs/dbraw/zinc/59/54/32/344595432.db2.gz NPUQZWJNJGZXAP-UWVGGRQHSA-N 1 0 260.106 2.377 10 0 CEAERO CSC[C@@H](C)[NH2+][C@H](C)CNC(=O)OC(C)(C)C ZINC000235036838 344589010 /nfs/dbraw/zinc/58/90/10/344589010.db2.gz JYFLYNFNZXMWBF-NXEZZACHSA-N 1 0 262.419 2.241 10 0 CEAERO OCCC[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccccc2)o1 ZINC000052762098 362474127 /nfs/dbraw/zinc/47/41/27/362474127.db2.gz PNWSNACHEQVGIZ-AWEZNQCLSA-N 1 0 287.363 2.474 10 0 CEAERO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1CCCO)c1cccs1 ZINC000052762065 362474333 /nfs/dbraw/zinc/47/43/33/362474333.db2.gz KSRJOXKTPUOXMQ-QWHCGFSZSA-N 1 0 296.436 2.162 10 0 CEAERO [NH3+]Cc1cc(OC(F)(F)F)cnc1Br ZINC000238675306 344607745 /nfs/dbraw/zinc/60/77/45/344607745.db2.gz XVRPPCCSRRPWLX-UHFFFAOYSA-N 1 0 271.036 2.201 10 0 CEAERO [NH3+]C[C@H]1CC[C@H](C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000252891778 344642320 /nfs/dbraw/zinc/64/23/20/344642320.db2.gz LTGLKGYJKVPNKK-MGCOHNPYSA-N 1 0 267.760 2.439 10 0 CEAERO C[NH+](C)Cc1ccc(Br)cc1C(N)=S ZINC000307036053 344719662 /nfs/dbraw/zinc/71/96/62/344719662.db2.gz OCMDDJRAHJXBNS-UHFFFAOYSA-N 1 0 273.199 2.145 10 0 CEAERO C[C@@H]1C[N@H+](C)CCN1Cc1coc(Br)c1 ZINC000307142174 344720597 /nfs/dbraw/zinc/72/05/97/344720597.db2.gz DQJFPLXGXHOMOX-SECBINFHSA-N 1 0 273.174 2.178 10 0 CEAERO Cc1cccc(OCC[NH2+]C[C@H](O)C(C)(C)C)c1 ZINC000310726023 344731008 /nfs/dbraw/zinc/73/10/08/344731008.db2.gz UHEOLQDIKQKEET-AWEZNQCLSA-N 1 0 251.370 2.370 10 0 CEAERO O=C(c1ccc(Cl)cn1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000311294619 344733336 /nfs/dbraw/zinc/73/33/36/344733336.db2.gz QYLJGNUNUZEYFK-NSHDSACASA-N 1 0 279.771 2.092 10 0 CEAERO C[C@@H]1CC[C@H](C[NH2+]C[C@H](O)COCc2ccco2)C1 ZINC000300304712 344699159 /nfs/dbraw/zinc/69/91/59/344699159.db2.gz ATGQSKUGROXLEW-RDBSUJKOSA-N 1 0 267.369 2.183 10 0 CEAERO C[C@@H]1CCC[C@H](NC(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000300572647 344700524 /nfs/dbraw/zinc/70/05/24/344700524.db2.gz MFVJZSLDXAAACS-RDBSUJKOSA-N 1 0 252.402 2.461 10 0 CEAERO CCS[C@@H]1CCC[C@H]1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000300646538 344701134 /nfs/dbraw/zinc/70/11/34/344701134.db2.gz GPDOGBDFKHINEG-JHJVBQTASA-N 1 0 270.442 2.167 10 0 CEAERO C[C@@H]1CSC2(CCN(C(=O)OC(C)(C)C)CC2)[NH2+]1 ZINC000300895390 344702004 /nfs/dbraw/zinc/70/20/04/344702004.db2.gz VDAIDYULUDMVGG-SNVBAGLBSA-N 1 0 272.414 2.439 10 0 CEAERO CC(C)(C)[C@H](O)C[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000324503530 344754202 /nfs/dbraw/zinc/75/42/02/344754202.db2.gz OOPNLFRMSPENDC-QWHCGFSZSA-N 1 0 287.469 2.428 10 0 CEAERO Cn1nc(C[NH2+]C[C@@H](O)C(C)(C)C)c2ccccc21 ZINC000324255311 344754207 /nfs/dbraw/zinc/75/42/07/344754207.db2.gz FQRBBHITIJBTCT-CQSZACIVSA-N 1 0 261.369 2.070 10 0 CEAERO CCCOc1ccc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)cc1 ZINC000392927756 344839814 /nfs/dbraw/zinc/83/98/14/344839814.db2.gz CXZRRRPIDTYNEX-WFASDCNBSA-N 1 0 276.380 2.232 10 0 CEAERO COC(=O)c1cccc(CN2CC[C@H]([NH+](C)C)C2)c1Cl ZINC000381787505 344825346 /nfs/dbraw/zinc/82/53/46/344825346.db2.gz ARJKDJRYQUAGFP-LBPRGKRZSA-N 1 0 296.798 2.263 10 0 CEAERO CC[NH2+][C@@H]1CCC[C@@H]1c1nc([C@@H](C)OCC)no1 ZINC000083860078 178754404 /nfs/dbraw/zinc/75/44/04/178754404.db2.gz GPQSLGKHBVPFFZ-OUAUKWLOSA-N 1 0 253.346 2.413 10 0 CEAERO C[C@H]1CC[C@H](Nc2ccc(C#N)cc2[N+](=O)[O-])C[NH2+]1 ZINC000399036386 344857079 /nfs/dbraw/zinc/85/70/79/344857079.db2.gz OLGOJICSWHOUML-ONGXEEELSA-N 1 0 260.297 2.019 10 0 CEAERO OCCN1CCC[C@H]([NH2+]Cc2c(F)cccc2Cl)C1 ZINC000394953081 344843778 /nfs/dbraw/zinc/84/37/78/344843778.db2.gz JFUAYJKXJMTQNN-NSHDSACASA-N 1 0 286.778 2.025 10 0 CEAERO CC[S@](=O)[C@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH3+] ZINC000084007547 178771083 /nfs/dbraw/zinc/77/10/83/178771083.db2.gz KJEVVJICJXXUCG-XJIUQZFPSA-N 1 0 251.395 2.419 10 0 CEAERO COc1cccc(-c2noc([C@@](C)([NH3+])C3CC3)n2)c1 ZINC000084097007 178788059 /nfs/dbraw/zinc/78/80/59/178788059.db2.gz RFSJOZRXZNAXCC-AWEZNQCLSA-N 1 0 259.309 2.329 10 0 CEAERO CCOC(=O)[C@@H](CC)Oc1c(C)cc(C[NH3+])cc1C ZINC000084098305 178788706 /nfs/dbraw/zinc/78/87/06/178788706.db2.gz NVVVXEDBRXZXRH-CYBMUJFWSA-N 1 0 265.353 2.483 10 0 CEAERO CC[NH+](CC)CCCCCCn1cnc2c1ncnc2N ZINC000584590433 344960528 /nfs/dbraw/zinc/96/05/28/344960528.db2.gz MOVMUIDTZBCIJJ-UHFFFAOYSA-N 1 0 290.415 2.311 10 0 CEAERO CCN(CC)CC[NH2+]C[C@H]1CCc2ccccc2N1 ZINC000584614489 344965249 /nfs/dbraw/zinc/96/52/49/344965249.db2.gz RUNHQOWNZOBOHB-OAHLLOKOSA-N 1 0 261.413 2.345 10 0 CEAERO CCOc1ccc(C(=O)[C@H](C)N2CCC[N@H+](C)CC2)cc1 ZINC000584621229 344967181 /nfs/dbraw/zinc/96/71/81/344967181.db2.gz VUERMKNDHRKGCV-AWEZNQCLSA-N 1 0 290.407 2.294 10 0 CEAERO C[NH+](C)C[C@H]1COc2ccccc2[C@]1(O)c1ccccc1 ZINC000584626321 344968430 /nfs/dbraw/zinc/96/84/30/344968430.db2.gz SLCBSKKXXYOQMP-YJBOKZPZSA-N 1 0 283.371 2.493 10 0 CEAERO Cc1nn(-c2ccccc2)c(C)c1[C@H](C[NH3+])N(C)C ZINC000053994332 362503975 /nfs/dbraw/zinc/50/39/75/362503975.db2.gz XBBRAPNJUBMSAQ-AWEZNQCLSA-N 1 0 258.369 2.051 10 0 CEAERO O=C(CC[N@H+]1CCC[C@@H]1CCCO)c1ccccc1 ZINC000053932015 362502090 /nfs/dbraw/zinc/50/20/90/362502090.db2.gz IBGDELDNQNIXFI-OAHLLOKOSA-N 1 0 261.365 2.496 10 0 CEAERO Cc1ccc(NC(=O)C[C@@H]2CCC[NH2+]C2)c(F)c1 ZINC000054290613 362521469 /nfs/dbraw/zinc/52/14/69/362521469.db2.gz UTIZRSVUCMRMQI-NSHDSACASA-N 1 0 250.317 2.462 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)NC12CC3CC(CC(C3)C1)C2 ZINC000054289967 362521681 /nfs/dbraw/zinc/52/16/81/362521681.db2.gz QJPJWIKWKVIHJR-JISDDCRVSA-N 1 0 276.424 2.461 10 0 CEAERO CCC[NH2+]CCNc1ccc(Br)cn1 ZINC000054267519 362522031 /nfs/dbraw/zinc/52/20/31/362522031.db2.gz LOBFXCDHHSQJPC-UHFFFAOYSA-N 1 0 258.163 2.256 10 0 CEAERO Brc1cc([C@H]2CC[NH2+]2)cc2c1OCCO2 ZINC000084178837 178816211 /nfs/dbraw/zinc/81/62/11/178816211.db2.gz HZBOOKQMVSJXAF-SECBINFHSA-N 1 0 270.126 2.255 10 0 CEAERO Cc1csc(Cc2noc([C@@H]3CC[C@@H]([NH3+])C3)n2)n1 ZINC000097068241 185521437 /nfs/dbraw/zinc/52/14/37/185521437.db2.gz OMXLRGNPNPZOGQ-RKDXNWHRSA-N 1 0 264.354 2.020 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CSCc1ccc(F)cc1 ZINC000591583175 345266631 /nfs/dbraw/zinc/26/66/31/345266631.db2.gz IRKQNQLWDCXXBG-MFKMUULPSA-N 1 0 282.384 2.007 10 0 CEAERO [NH3+][C@H]1CCCN(C(=O)CSCc2ccc(F)cc2)C1 ZINC000591669038 345273135 /nfs/dbraw/zinc/27/31/35/345273135.db2.gz NYUDXOOHCJYWJO-ZDUSSCGKSA-N 1 0 282.384 2.009 10 0 CEAERO CCOC(=O)[C@@](C)(N)C[C@H](C)[N@H+](CC)CC(C)C ZINC000084305114 178851749 /nfs/dbraw/zinc/85/17/49/178851749.db2.gz GUUNXHDCIYMSBV-JSGCOSHPSA-N 1 0 258.406 2.023 10 0 CEAERO CCOC(=O)[C@@](C)(C[C@H](C)[NH+]1CCCC1)NC(C)C ZINC000084298779 178849563 /nfs/dbraw/zinc/84/95/63/178849563.db2.gz AAEHQZVKUUHYJV-DZGCQCFKSA-N 1 0 270.417 2.181 10 0 CEAERO CCN[C@@](C)(C[C@@H](C)[NH+]1CCCCC1)C(=O)OCC ZINC000084302253 178850765 /nfs/dbraw/zinc/85/07/65/178850765.db2.gz VDAMZYYACJAXIA-HIFRSBDPSA-N 1 0 270.417 2.182 10 0 CEAERO CC[NH2+][C@@H](C)C[C@@H](C)S(=O)(=O)c1ccc(F)cc1 ZINC000084356426 178867350 /nfs/dbraw/zinc/86/73/50/178867350.db2.gz RMIRRZXYKVCIEQ-WDEREUQCSA-N 1 0 273.373 2.376 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)CC2CCCC2)C1 ZINC000057617705 362589749 /nfs/dbraw/zinc/58/97/49/362589749.db2.gz USMGJDVZZDOWDD-AWEZNQCLSA-N 1 0 267.417 2.302 10 0 CEAERO CCOc1ccc([C@H]([NH3+])c2ccnnc2)cc1OCC ZINC000097123183 185541338 /nfs/dbraw/zinc/54/13/38/185541338.db2.gz VGTIDUBDIPHETI-HNNXBMFYSA-N 1 0 273.336 2.322 10 0 CEAERO CC[NH2+][C@@H]1CC[C@@H](S(=O)(=O)CC2CCCC2)C1 ZINC000084434056 178888435 /nfs/dbraw/zinc/88/84/35/178888435.db2.gz OFCUUCHLBRFBDD-CHWSQXEVSA-N 1 0 259.415 2.122 10 0 CEAERO CS(=O)(=O)CCC[C@@H]([NH3+])c1cccc(Cl)c1F ZINC000084412732 178884785 /nfs/dbraw/zinc/88/47/85/178884785.db2.gz BTZULFCWLIPPLN-SNVBAGLBSA-N 1 0 279.764 2.304 10 0 CEAERO C[NH2+][C@H]1CCC[C@H](S(=O)(=O)Cc2ccccc2C)C1 ZINC000084430377 178885929 /nfs/dbraw/zinc/88/59/29/178885929.db2.gz BKAAUUAGNAMFII-GJZGRUSLSA-N 1 0 281.421 2.440 10 0 CEAERO CC[NH2+][C@@H]1CCC[C@H](Sc2ncnc3[nH]cnc32)C1 ZINC000084431787 178886496 /nfs/dbraw/zinc/88/64/96/178886496.db2.gz RKANKVWGGJTPCV-ZJUUUORDSA-N 1 0 277.397 2.366 10 0 CEAERO C[NH2+][C@H](COc1cccc(Cl)c1)[C@H]1CCOC1 ZINC000097181478 185556817 /nfs/dbraw/zinc/55/68/17/185556817.db2.gz HYXDZSKZXULDSO-GXFFZTMASA-N 1 0 255.745 2.343 10 0 CEAERO C[NH2+][C@@H]1C[C@H](C)C[C@@H](C)[C@@H]1Sc1n[nH]c(=O)n1C1CC1 ZINC000084474424 178894131 /nfs/dbraw/zinc/89/41/31/178894131.db2.gz ZESIIKUKRSPDHD-IQIPOGNMSA-N 1 0 296.440 2.021 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]CCSCCCO)c1C ZINC000151235499 232216037 /nfs/dbraw/zinc/21/60/37/232216037.db2.gz XSLXDNSLSKODEH-LLVKDONJSA-N 1 0 285.457 2.286 10 0 CEAERO COc1ccc(F)cc1CN(C)[C@H]1CCC[NH2+]C1 ZINC000084590565 178901428 /nfs/dbraw/zinc/90/14/28/178901428.db2.gz GWAQZYSRSWRMJA-ZDUSSCGKSA-N 1 0 252.333 2.018 10 0 CEAERO CC[NH2+][C@H](CCCS(=O)(=O)CC)c1cccnc1C ZINC000097217939 185567143 /nfs/dbraw/zinc/56/71/43/185567143.db2.gz MPZPBVQMFZKANR-CQSZACIVSA-N 1 0 284.425 2.256 10 0 CEAERO C[NH+](C)C[C@@H]1CN(Cc2cnc(C(C)(C)C)s2)CCO1 ZINC000128248705 187359811 /nfs/dbraw/zinc/35/98/11/187359811.db2.gz LHYMMPXLDTVQIY-GFCCVEGCSA-N 1 0 297.468 2.203 10 0 CEAERO CC(C)n1ncnc1C[C@@H]([NH3+])c1cccc(N(C)C)c1 ZINC000097277433 185576850 /nfs/dbraw/zinc/57/68/50/185576850.db2.gz NGFOTEFFVJHNNR-CQSZACIVSA-N 1 0 273.384 2.168 10 0 CEAERO CCc1cc(C[C@@H](CC[C@H](C)OC)[NH2+]C)n(CC)n1 ZINC000097279840 185577622 /nfs/dbraw/zinc/57/76/22/185577622.db2.gz PJBRFWLMLUGFCZ-GXTWGEPZSA-N 1 0 267.417 2.411 10 0 CEAERO COC[C@H](C)C[C@@H]([NH3+])Cc1nn(C)c2ccccc12 ZINC000097279245 185577746 /nfs/dbraw/zinc/57/77/46/185577746.db2.gz SOGQGVPTYJVBAJ-VXGBXAGGSA-N 1 0 261.369 2.116 10 0 CEAERO CCc1cc(C[C@H]([NH3+])[C@@H]2CCSC2)n(CC)n1 ZINC000097279948 185578323 /nfs/dbraw/zinc/57/83/23/185578323.db2.gz HCFOVECZEZTHBF-MFKMUULPSA-N 1 0 253.415 2.088 10 0 CEAERO CCn1ncnc1C[C@H]([NH2+]C)C1CCC(F)(F)CC1 ZINC000097280472 185578556 /nfs/dbraw/zinc/57/85/56/185578556.db2.gz UIIBWCOZXMHVRM-NSHDSACASA-N 1 0 272.343 2.254 10 0 CEAERO C[NH+](C)C[C@H]1CN(Cc2cnc(C(C)(C)C)s2)CCO1 ZINC000128248943 187360068 /nfs/dbraw/zinc/36/00/68/187360068.db2.gz LHYMMPXLDTVQIY-LBPRGKRZSA-N 1 0 297.468 2.203 10 0 CEAERO CC[C@@H](C)NC(=O)Cn1cc(C[NH3+])c2ccccc21 ZINC000084848174 178929614 /nfs/dbraw/zinc/92/96/14/178929614.db2.gz AZGJBUNMGMQRBN-LLVKDONJSA-N 1 0 259.353 2.015 10 0 CEAERO C[NH2+][C@@H](C[C@@H]1CCS(=O)(=O)C1)c1sccc1C ZINC000097308121 185582257 /nfs/dbraw/zinc/58/22/57/185582257.db2.gz SGNWOULYHLAJRR-QWRGUYRKSA-N 1 0 273.423 2.142 10 0 CEAERO C[NH2+][C@H](c1cnn(C)c1C)[C@H]1CCOC2(CCC2)C1 ZINC000097306217 185582390 /nfs/dbraw/zinc/58/23/90/185582390.db2.gz CVCCMGDMLZJEBQ-JSGCOSHPSA-N 1 0 263.385 2.338 10 0 CEAERO COc1cccc(CN2CC[C@@H](C)[C@@H]([NH3+])C2)c1F ZINC000084946069 178933798 /nfs/dbraw/zinc/93/37/98/178933798.db2.gz LXDUXTJEDYKOQH-PWSUYJOCSA-N 1 0 252.333 2.003 10 0 CEAERO C[NH2+][C@@H](C[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)s1 ZINC000097346804 185588111 /nfs/dbraw/zinc/58/81/11/185588111.db2.gz YHSDDFIVBLBTAC-BDAKNGLRSA-N 1 0 293.841 2.487 10 0 CEAERO CC[NH2+][C@@H](CCc1ccco1)c1ncc(OC)nc1OC ZINC000097386971 185595683 /nfs/dbraw/zinc/59/56/83/185595683.db2.gz JRUJQUQKCRFANF-LBPRGKRZSA-N 1 0 291.351 2.370 10 0 CEAERO C[NH2+][C@@H](c1nccnc1OC)[C@H]1Cc2ccccc2S1 ZINC000097388453 185596093 /nfs/dbraw/zinc/59/60/93/185596093.db2.gz XZFPQVFNDBIREI-CHWSQXEVSA-N 1 0 287.388 2.463 10 0 CEAERO CC(C)(C)c1nnsc1[C@@H]([NH3+])Cc1cccnc1 ZINC000097390802 185596814 /nfs/dbraw/zinc/59/68/14/185596814.db2.gz VTFVHAXYBKPTQA-JTQLQIEISA-N 1 0 262.382 2.473 10 0 CEAERO COC(=O)C[C@](C)(c1cc(C)oc1C)C(C)(C)[NH3+] ZINC000097433812 185602836 /nfs/dbraw/zinc/60/28/36/185602836.db2.gz RPFWQPDMPMDPAZ-CQSZACIVSA-N 1 0 253.342 2.455 10 0 CEAERO C[C@@H]1[C@@H](C)CCC[C@]1(C[NH3+])N(C)Cc1cnn(C)c1 ZINC000085102827 178949409 /nfs/dbraw/zinc/94/94/09/178949409.db2.gz PMQJIPMEJXZXPW-GZBFAFLISA-N 1 0 264.417 2.006 10 0 CEAERO C[C@@H]1CC[C@H](C)[C@@](C[NH3+])(N(C)Cc2nccn2C)C1 ZINC000085104258 178949608 /nfs/dbraw/zinc/94/96/08/178949608.db2.gz HMZVXTWJPMXYBS-VNHYZAJKSA-N 1 0 264.417 2.006 10 0 CEAERO COC(=O)C[C@@H](c1ccc(OC)c(F)c1)C(C)(C)[NH3+] ZINC000097433734 185603515 /nfs/dbraw/zinc/60/35/15/185603515.db2.gz VRRVNQDGBMTBIW-JTQLQIEISA-N 1 0 269.316 2.218 10 0 CEAERO CCSC1(C[NH2+]C[C@H](O)COCc2ccco2)CC1 ZINC000596066625 345931619 /nfs/dbraw/zinc/93/16/19/345931619.db2.gz UJEVXDMGTSRIFK-LBPRGKRZSA-N 1 0 285.409 2.032 10 0 CEAERO CCOc1ccc([C@@](C)(CC(=O)OC)[C@H](C)[NH3+])cc1 ZINC000097430994 185601552 /nfs/dbraw/zinc/60/15/52/185601552.db2.gz RHAMMMXAQPNMNU-NHYWBVRUSA-N 1 0 265.353 2.253 10 0 CEAERO COC(=O)C[C@](c1cccs1)([C@@H](C)[NH3+])C1CC1 ZINC000097430961 185601634 /nfs/dbraw/zinc/60/16/34/185601634.db2.gz AZPDTNMRUPMCRK-RNCFNFMXSA-N 1 0 253.367 2.306 10 0 CEAERO CC[NH2+]C[C@](C)(O)Cc1ccc(Br)s1 ZINC000085075887 178947938 /nfs/dbraw/zinc/94/79/38/178947938.db2.gz BSRSPYXPJHRQSK-SNVBAGLBSA-N 1 0 278.215 2.414 10 0 CEAERO COc1ccc(Br)cc1[C@@H](O)C(C)(C)[NH3+] ZINC000085071755 178948044 /nfs/dbraw/zinc/94/80/44/178948044.db2.gz BIMRVLXGFOUJKS-SNVBAGLBSA-N 1 0 274.158 2.228 10 0 CEAERO CC[NH2+][C@@H](COC)Cc1ccn(C(CC)CC)n1 ZINC000085182939 178966451 /nfs/dbraw/zinc/96/64/51/178966451.db2.gz SVEBNALBNFYYHD-CYBMUJFWSA-N 1 0 253.390 2.411 10 0 CEAERO CN(CCCC[C@](C)([NH3+])CO)c1cccc(F)c1 ZINC000085215262 178979383 /nfs/dbraw/zinc/97/93/83/178979383.db2.gz GHBSEWBTNKQMHC-AWEZNQCLSA-N 1 0 254.349 2.142 10 0 CEAERO CC[NH+](CC)C(C)(C)[C@H](Cc1c(F)cccc1F)NN ZINC000097581031 185629676 /nfs/dbraw/zinc/62/96/76/185629676.db2.gz ZDKBCMZMYCDCJI-AWEZNQCLSA-N 1 0 285.382 2.460 10 0 CEAERO CCC(CC)([C@H](Cc1ccc(OC)c(F)c1)NN)[NH+](C)C ZINC000097586435 185631920 /nfs/dbraw/zinc/63/19/20/185631920.db2.gz ZISGHPHJWIZAIN-HNNXBMFYSA-N 1 0 297.418 2.329 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCCOc1ccc(F)cc1F ZINC000085283093 179000631 /nfs/dbraw/zinc/00/06/31/179000631.db2.gz UTJJHIOOIONQOE-CQSZACIVSA-N 1 0 273.323 2.484 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCOc1ccc(C)cc1C ZINC000085283485 179001484 /nfs/dbraw/zinc/00/14/84/179001484.db2.gz ZSGGMGHMLNVGDV-OAHLLOKOSA-N 1 0 251.370 2.433 10 0 CEAERO CCOc1ccccc1OCCCC[C@@](C)([NH3+])CO ZINC000085283801 179001696 /nfs/dbraw/zinc/00/16/96/179001696.db2.gz LITNBCKCIPYWAT-OAHLLOKOSA-N 1 0 267.369 2.344 10 0 CEAERO CC[NH2+][C@@](C)(CO)C[C@H](C)Oc1ccccc1F ZINC000085284416 179001867 /nfs/dbraw/zinc/00/18/67/179001867.db2.gz UNLXEBVTXYNOIG-SMDDNHRTSA-N 1 0 255.333 2.344 10 0 CEAERO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1Cc1ccc(Cl)s1 ZINC000085283938 179001944 /nfs/dbraw/zinc/00/19/44/179001944.db2.gz KVAACCIJPSSJJH-FXPVBKGRSA-N 1 0 256.802 2.441 10 0 CEAERO CCC[NH2+][C@@](C)(CO)CCCn1nc(C)cc1C ZINC000085263512 178993876 /nfs/dbraw/zinc/99/38/76/178993876.db2.gz PBZWCNVKDWOBFF-CQSZACIVSA-N 1 0 253.390 2.031 10 0 CEAERO CC[NH2+][C@](C)(CO)CCOc1cc(C)ccc1C ZINC000085284604 179002674 /nfs/dbraw/zinc/00/26/74/179002674.db2.gz ILEKWJFOZMBGLR-HNNXBMFYSA-N 1 0 251.370 2.433 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)CCCCOC1CCOCC1 ZINC000085266943 178996919 /nfs/dbraw/zinc/99/69/19/178996919.db2.gz XWFBLGZBYPZTNV-HNNXBMFYSA-N 1 0 273.417 2.101 10 0 CEAERO CCCOc1ccccc1OCC[C@@H](CO)[NH2+]CC ZINC000085269839 178997777 /nfs/dbraw/zinc/99/77/77/178997777.db2.gz LCJLKKKJHDIEIZ-ZDUSSCGKSA-N 1 0 267.369 2.215 10 0 CEAERO C[NH2+][C@](C)(CO)C[C@@H](C)Oc1ccc(C)cc1OC ZINC000085285986 179003368 /nfs/dbraw/zinc/00/33/68/179003368.db2.gz VGSCAYOGJXKRFL-DOMZBBRYSA-N 1 0 267.369 2.131 10 0 CEAERO CCC[NH2+][C@H](CO)COc1ccc(OCCC)cc1 ZINC000085286164 179003803 /nfs/dbraw/zinc/00/38/03/179003803.db2.gz MMZRUGMRDYAGSO-CYBMUJFWSA-N 1 0 267.369 2.215 10 0 CEAERO CC[NH2+][C@@H](CO)COc1cccc(C(C)(C)C)c1 ZINC000085286486 179003951 /nfs/dbraw/zinc/00/39/51/179003951.db2.gz METAQSVBKSXVMF-ZDUSSCGKSA-N 1 0 251.370 2.333 10 0 CEAERO Cc1ccc2[nH]c(SCCC[C@](C)([NH3+])CO)nc2c1 ZINC000085288325 179005023 /nfs/dbraw/zinc/00/50/23/179005023.db2.gz MBXRUWIWFFMOLL-AWEZNQCLSA-N 1 0 279.409 2.453 10 0 CEAERO C[NH2+][C@@](C)(CO)CSc1ccc2c(c1)CCC2 ZINC000085292967 179008406 /nfs/dbraw/zinc/00/84/06/179008406.db2.gz ASKPWPSILAGTJI-AWEZNQCLSA-N 1 0 251.395 2.238 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)C[C@H](C)Sc1nccn1C ZINC000085299130 179009511 /nfs/dbraw/zinc/00/95/11/179009511.db2.gz MABFPGPQZFFCGG-WCQYABFASA-N 1 0 271.430 2.040 10 0 CEAERO Cc1ccccc1OC[C@@]([NH3+])(CO)c1ccccc1 ZINC000085285003 179003054 /nfs/dbraw/zinc/00/30/54/179003054.db2.gz GSLIMRLNKGBZHY-INIZCTEOSA-N 1 0 257.333 2.220 10 0 CEAERO C[NH2+][C@@](CO)(COc1ccccc1)c1ccccc1 ZINC000085285227 179003066 /nfs/dbraw/zinc/00/30/66/179003066.db2.gz XNQYWWFVPNNBBC-INIZCTEOSA-N 1 0 257.333 2.173 10 0 CEAERO C[C@@H]1CCCCC[N@@H+]1C[C@@](O)(CN)c1ccccc1 ZINC000085302722 179011585 /nfs/dbraw/zinc/01/15/85/179011585.db2.gz UBTTYPHCRQSMQS-ZBFHGGJFSA-N 1 0 262.397 2.097 10 0 CEAERO CC1(C)C[NH2+]CCN1c1ccc(C(F)(F)F)cn1 ZINC000104135421 136525251 /nfs/dbraw/zinc/52/52/51/136525251.db2.gz ZUJHZMULHQEREE-UHFFFAOYSA-N 1 0 259.275 2.289 10 0 CEAERO [NH3+]C[C@](O)(CSc1ccc(F)c(F)c1)C1CC1 ZINC000085320485 179014365 /nfs/dbraw/zinc/01/43/65/179014365.db2.gz CFPXIBCFHFSQAF-LBPRGKRZSA-N 1 0 259.321 2.157 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1c1nc(Cc2ccc(O)cc2)no1 ZINC000085325403 179018415 /nfs/dbraw/zinc/01/84/15/179018415.db2.gz AUGFXEASEWYBLU-STQMWFEESA-N 1 0 273.336 2.351 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1[NH3+])c1cccc(O)c1 ZINC000085359756 179031683 /nfs/dbraw/zinc/03/16/83/179031683.db2.gz AGWJXPXNXNHATP-GDLCADMTSA-N 1 0 262.353 2.087 10 0 CEAERO COC(=O)c1ccc(Cl)cc1NC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085360583 179032944 /nfs/dbraw/zinc/03/29/44/179032944.db2.gz CMOURVIOIDESOK-GXSJLCMTSA-N 1 0 296.754 2.193 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000085361492 179033518 /nfs/dbraw/zinc/03/35/18/179033518.db2.gz STOCVTCQSIOLGH-KGLIPLIRSA-N 1 0 288.395 2.138 10 0 CEAERO CCC(=O)Nc1ccc(NC(=O)[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000085362943 179034567 /nfs/dbraw/zinc/03/45/67/179034567.db2.gz ACJJWDVLNWREON-QWHCGFSZSA-N 1 0 275.352 2.101 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1ccc2c[nH]nc2c1 ZINC000085363688 179034807 /nfs/dbraw/zinc/03/48/07/179034807.db2.gz ZNCNEKCVFIPWAM-VXGBXAGGSA-N 1 0 258.325 2.019 10 0 CEAERO C[C@@H](NC(=O)N1CCS[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000085363709 179034904 /nfs/dbraw/zinc/03/49/04/179034904.db2.gz TULFHYHKMHNCBM-NWDGAFQWSA-N 1 0 287.473 2.110 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)N1CCc2sccc2C1 ZINC000085355141 179029532 /nfs/dbraw/zinc/02/95/32/179029532.db2.gz INUMDWVNRKRQQZ-NEPJUHHUSA-N 1 0 264.394 2.150 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)N(Cc1ccccc1F)C1CC1 ZINC000085367175 179037710 /nfs/dbraw/zinc/03/77/10/179037710.db2.gz UPFZQXXFKHFVMN-DZGCQCFKSA-N 1 0 276.355 2.444 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)N1CCC[C@@H]1Cc1ccccc1 ZINC000085367699 179037773 /nfs/dbraw/zinc/03/77/73/179037773.db2.gz ZMYYLCBHNLUELV-PMPSAXMXSA-N 1 0 272.392 2.348 10 0 CEAERO CCN(Cc1ccco1)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085368442 179038022 /nfs/dbraw/zinc/03/80/22/179038022.db2.gz RLCKWUGSGYKIEO-CHWSQXEVSA-N 1 0 250.342 2.146 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)N(Cc1cccs1)C1CC1 ZINC000085368033 179038252 /nfs/dbraw/zinc/03/82/52/179038252.db2.gz RNTZNAIQTNTZFN-QWHCGFSZSA-N 1 0 264.394 2.367 10 0 CEAERO Cc1ccc(CN(C(=O)[C@@H]2CCC[C@H]2[NH3+])C2CC2)o1 ZINC000085368684 179038713 /nfs/dbraw/zinc/03/87/13/179038713.db2.gz WEMNGIRZOKAMOG-ZIAGYGMSSA-N 1 0 262.353 2.206 10 0 CEAERO COc1ccccc1[C@H](C)NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085371577 179041792 /nfs/dbraw/zinc/04/17/92/179041792.db2.gz BYHRDIABSGTJNS-UBHSHLNASA-N 1 0 276.380 2.390 10 0 CEAERO C[C@@H](CCNC(=O)[C@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000085374652 179043418 /nfs/dbraw/zinc/04/34/18/179043418.db2.gz NQEAGNXPKGTTRP-QEJZJMRPSA-N 1 0 260.381 2.424 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000085364644 179036254 /nfs/dbraw/zinc/03/62/54/179036254.db2.gz ZKWQFZBMKFYMDK-QWHCGFSZSA-N 1 0 260.337 2.078 10 0 CEAERO CC(=O)Nc1cc(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])ccc1F ZINC000085365509 179036551 /nfs/dbraw/zinc/03/65/51/179036551.db2.gz DXKRFXJHUJPCJN-DGCLKSJQSA-N 1 0 293.342 2.240 10 0 CEAERO CCOc1cc(C)ccc1NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085365906 179036592 /nfs/dbraw/zinc/03/65/92/179036592.db2.gz PTBQVDJHTDNERP-NEPJUHHUSA-N 1 0 262.353 2.460 10 0 CEAERO CC[NH2+]C[C@@H]1CCCN(c2ncc(Br)cn2)C1 ZINC000111751430 136532418 /nfs/dbraw/zinc/53/24/18/136532418.db2.gz DXRQTTPLWFRULX-JTQLQIEISA-N 1 0 299.216 2.065 10 0 CEAERO C[NH2+]Cc1nc(CO[C@@H](C)C(F)(F)F)cs1 ZINC000085423526 179059594 /nfs/dbraw/zinc/05/95/94/179059594.db2.gz YDODDWINPXEHJY-LURJTMIESA-N 1 0 254.277 2.330 10 0 CEAERO c1cncc(CN2CC[NH2+][C@@H](C3CCCCC3)C2)c1 ZINC000085435525 179062340 /nfs/dbraw/zinc/06/23/40/179062340.db2.gz OGESJNCFIOHSAN-MRXNPFEDSA-N 1 0 259.397 2.436 10 0 CEAERO CO[C@H]1COCC[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000085435985 179062719 /nfs/dbraw/zinc/06/27/19/179062719.db2.gz HRRNPQNEWDGLFP-CYBMUJFWSA-N 1 0 260.337 2.015 10 0 CEAERO CCC[C@H]1CN(CCOCC)C2(CCCC2)C[NH2+]1 ZINC000085466254 179071796 /nfs/dbraw/zinc/07/17/96/179071796.db2.gz WPSGMFWNRBUMNP-AWEZNQCLSA-N 1 0 254.418 2.410 10 0 CEAERO COCCC[N@@H+]1C[C@H](C(C)C)NCC12CCCC2 ZINC000085468313 179073219 /nfs/dbraw/zinc/07/32/19/179073219.db2.gz BYWAMEFATSGFRH-CQSZACIVSA-N 1 0 254.418 2.266 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1Oc1ncncc1Br ZINC000085468071 179073691 /nfs/dbraw/zinc/07/36/91/179073691.db2.gz JDWUWLCCUVRNQJ-WPRPVWTQSA-N 1 0 286.173 2.135 10 0 CEAERO CC[C@@H](C)[C@@H]1CNCC[N@@H+]1CCCOCC(F)(F)F ZINC000085452862 179065905 /nfs/dbraw/zinc/06/59/05/179065905.db2.gz YGTYXZANIYEXPD-NEPJUHHUSA-N 1 0 282.350 2.275 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@H](C)CN1Cc1ccn(C(C)C)n1 ZINC000085453524 179067364 /nfs/dbraw/zinc/06/73/64/179067364.db2.gz NDNXREMTWKZRSQ-DZGCQCFKSA-N 1 0 264.417 2.426 10 0 CEAERO C[C@H]1C[N@H+](CC2CCOCC2)C2(CCCC2)CN1 ZINC000085454439 179067646 /nfs/dbraw/zinc/06/76/46/179067646.db2.gz QLEXDIBPCIYJRD-ZDUSSCGKSA-N 1 0 252.402 2.020 10 0 CEAERO CCC[C@@H]1CN[C@@H](CC)C[N@@H+]1CCCn1ccnc1 ZINC000085472543 179076990 /nfs/dbraw/zinc/07/69/90/179076990.db2.gz IJORBALVNYMIQS-LSDHHAIUSA-N 1 0 264.417 2.126 10 0 CEAERO C[NH2+]CCCc1ccc(S(=O)(=O)C(C)C)cc1 ZINC000098130217 185691071 /nfs/dbraw/zinc/69/10/71/185691071.db2.gz FWLPBJHUYRANTK-UHFFFAOYSA-N 1 0 255.383 2.021 10 0 CEAERO CC[C@@H]1CN(Cc2ncccn2)[C@H](C(C)(C)C)C[NH2+]1 ZINC000085473608 179077810 /nfs/dbraw/zinc/07/78/10/179077810.db2.gz JRRHRAXJHCWTDB-OLZOCXBDSA-N 1 0 262.401 2.075 10 0 CEAERO CC[C@H]1CN[C@H](CC(C)C)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085487464 179080805 /nfs/dbraw/zinc/08/08/05/179080805.db2.gz RIHSKLHGZMUVNP-ZNMIVQPWSA-N 1 0 254.418 2.121 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@H](CC(C)C)CN1[C@@H]1CCOC1 ZINC000085487634 179081615 /nfs/dbraw/zinc/08/16/15/179081615.db2.gz SCFXFWZTRLYVII-RRFJBIMHSA-N 1 0 254.418 2.264 10 0 CEAERO CC[C@]1(C)C[N@H+](C[C@@H]2CCCO2)[C@H](C(C)C)CN1 ZINC000085495376 179081974 /nfs/dbraw/zinc/08/19/74/179081974.db2.gz XOLKQRVIKGNVSU-SOUVJXGZSA-N 1 0 254.418 2.264 10 0 CEAERO CC1(C)CN(Cc2ccccn2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085471594 179076278 /nfs/dbraw/zinc/07/62/78/179076278.db2.gz FLCLSTHNCWQRDG-MRXNPFEDSA-N 1 0 259.397 2.434 10 0 CEAERO CC1(C)C[N@H+](C[C@@H]2CCCO2)[C@@](C)(C2CC2)CN1 ZINC000085471590 179076515 /nfs/dbraw/zinc/07/65/15/179076515.db2.gz YJIYPTFQBLXQAB-DZGCQCFKSA-N 1 0 252.402 2.018 10 0 CEAERO CC[C@H]1CN[C@@H](c2ccccc2)C[N@@H+]1CCCOC ZINC000085505077 179084934 /nfs/dbraw/zinc/08/49/34/179084934.db2.gz LVARIEUJJBWUFO-JKSUJKDBSA-N 1 0 262.397 2.448 10 0 CEAERO CC[C@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1cccnc1 ZINC000085510981 179085302 /nfs/dbraw/zinc/08/53/02/179085302.db2.gz CRQAAOQEGJGJIF-HOTGVXAUSA-N 1 0 259.397 2.434 10 0 CEAERO CC[C@H]1CN[C@](C)(C2CC2)C[N@@H+]1CC1CCOCC1 ZINC000085510855 179085655 /nfs/dbraw/zinc/08/56/55/179085655.db2.gz RNDTUPKHXQADIL-HOTGVXAUSA-N 1 0 266.429 2.266 10 0 CEAERO CCC[C@@H]1CN[C@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085511492 179085663 /nfs/dbraw/zinc/08/56/63/179085663.db2.gz NIELSCJAZOLIOR-PMPSAXMXSA-N 1 0 266.429 2.408 10 0 CEAERO Cn1cc(CN2C[C@H](c3ccccc3)[NH2+]CC2(C)C)cn1 ZINC000085507717 179085688 /nfs/dbraw/zinc/08/56/88/179085688.db2.gz JUOJHAIPNXDHIY-MRXNPFEDSA-N 1 0 284.407 2.345 10 0 CEAERO CC[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1C[C@@H]1CCCO1 ZINC000085510359 179086114 /nfs/dbraw/zinc/08/61/14/179086114.db2.gz DRRPVRNFNNJYHS-QLFBSQMISA-N 1 0 252.402 2.018 10 0 CEAERO CC(C)[C@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1ncccn1 ZINC000085512202 179087027 /nfs/dbraw/zinc/08/70/27/179087027.db2.gz PIYZDJRYQSGCJH-GDBMZVCRSA-N 1 0 274.412 2.075 10 0 CEAERO COCCOCCN1C[C@@](C)(C2CC2)[NH2+]CC12CCCC2 ZINC000085515835 179087348 /nfs/dbraw/zinc/08/73/48/179087348.db2.gz YNJMRCUWMSHBCX-INIZCTEOSA-N 1 0 296.455 2.036 10 0 CEAERO C[C@@]1(C2CC2)CN(Cc2ncccn2)[C@](C)(C2CC2)C[NH2+]1 ZINC000085516208 179087617 /nfs/dbraw/zinc/08/76/17/179087617.db2.gz MXSUNVRTPYBACR-IRXDYDNUSA-N 1 0 286.423 2.219 10 0 CEAERO CCC1(CC)C[N@H+](C[C@@H]2CCOC2)[C@@H](C2CC2)CN1 ZINC000085519259 179087641 /nfs/dbraw/zinc/08/76/41/179087641.db2.gz HEYLWOVLMXKPFD-DZGCQCFKSA-N 1 0 266.429 2.266 10 0 CEAERO CC[C@@H]1CNC2(CCCC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085497842 179082876 /nfs/dbraw/zinc/08/28/76/179082876.db2.gz NKNWUTSISQTEGO-UONOGXRCSA-N 1 0 252.402 2.020 10 0 CEAERO CC[C@@]1(C)C[N@H+](C[C@@H]2CCOC2)[C@@](C)(CC)CN1 ZINC000085496852 179083196 /nfs/dbraw/zinc/08/31/96/179083196.db2.gz HDJFSUTWUGDIQX-KKUMJFAQSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@@]1(C)C[N@H+](CCCOC)[C@@](C)(C2CC2)CN1 ZINC000085497287 179083275 /nfs/dbraw/zinc/08/32/75/179083275.db2.gz WZWHOCRSCGJJMF-LSDHHAIUSA-N 1 0 254.418 2.266 10 0 CEAERO COCCC[N@@H+]1CC2(CCCCC2)NCC1(C)C ZINC000085503398 179084263 /nfs/dbraw/zinc/08/42/63/179084263.db2.gz FVEXLKJFJHQRHD-UHFFFAOYSA-N 1 0 254.418 2.410 10 0 CEAERO CC[C@H](C)[C@H]1CN[C@H](C2CC2)C[N@@H+]1CCn1ccnc1C ZINC000085525096 179089195 /nfs/dbraw/zinc/08/91/95/179089195.db2.gz OGBTWKKKDPWDSJ-RRQGHBQHSA-N 1 0 290.455 2.290 10 0 CEAERO Cn1cc(CN2C[C@@H](C3CC3)[NH2+]C[C@@H]2C(C)(C)C)cn1 ZINC000085527092 179089500 /nfs/dbraw/zinc/08/95/00/179089500.db2.gz DMJMLOLVMPXHQL-LSDHHAIUSA-N 1 0 276.428 2.019 10 0 CEAERO CC[NH2+]C1CC(Oc2cncc(Br)c2)C1 ZINC000085526330 179089755 /nfs/dbraw/zinc/08/97/55/179089755.db2.gz SWHNUYFSCRXDDD-UHFFFAOYSA-N 1 0 271.158 2.363 10 0 CEAERO c1cnc(CN2C[C@H](C3CC3)[NH2+]CC23CCCCC3)nc1 ZINC000085529256 179090137 /nfs/dbraw/zinc/09/01/37/179090137.db2.gz FBHVBQJKLDBLIB-OAHLLOKOSA-N 1 0 286.423 2.363 10 0 CEAERO CCn1cc(CN2C[C@H](C3CC3)[NH2+]C[C@@]2(C)CC)cn1 ZINC000085528507 179090206 /nfs/dbraw/zinc/09/02/06/179090206.db2.gz KMKLUPOFDXFJGW-HZPDHXFCSA-N 1 0 276.428 2.256 10 0 CEAERO COCC[N@@H+]1C[C@H](C2CC2)NC[C@@H]1C1CCCCC1 ZINC000085527487 179090788 /nfs/dbraw/zinc/09/07/88/179090788.db2.gz PORYDBIOTLVNHB-HZPDHXFCSA-N 1 0 266.429 2.266 10 0 CEAERO CCc1nc2c(n1-c1cc(F)c(F)cc1F)CC[NH2+]C2 ZINC000085571097 179095802 /nfs/dbraw/zinc/09/58/02/179095802.db2.gz DNILOCXVQVXWPE-UHFFFAOYSA-N 1 0 281.281 2.498 10 0 CEAERO CO[C@@H]1CCC[C@@H]1n1c2c(nc1C1CC1)C[NH2+]CC2 ZINC000085570812 179096009 /nfs/dbraw/zinc/09/60/09/179096009.db2.gz XPUYATYXCILQHQ-UONOGXRCSA-N 1 0 261.369 2.146 10 0 CEAERO CO[C@H]1CCC[C@H]1n1c(CC(C)C)nc2c1CC[NH2+]C2 ZINC000085570788 179096218 /nfs/dbraw/zinc/09/62/18/179096218.db2.gz BFPVJCVUYXDJOH-CABCVRRESA-N 1 0 277.412 2.467 10 0 CEAERO c1cc(-n2c3c(nc2C2CC2)C[NH2+]CC3)cc2c1OCO2 ZINC000085569414 179096226 /nfs/dbraw/zinc/09/62/26/179096226.db2.gz QAARVSJMTSOUPN-UHFFFAOYSA-N 1 0 283.331 2.124 10 0 CEAERO CC(C)(C)c1nc2c(n1C1CCC(O)CC1)CC[NH2+]C2 ZINC000085569072 179096427 /nfs/dbraw/zinc/09/64/27/179096427.db2.gz CBBBQTTUMAWWCM-UHFFFAOYSA-N 1 0 277.412 2.302 10 0 CEAERO CO[C@H]1CCC[C@H]1n1c2c(nc1C(C)C)C[NH2+]CC2 ZINC000085570842 179096623 /nfs/dbraw/zinc/09/66/23/179096623.db2.gz ZMFKGXJWENQDLB-KGLIPLIRSA-N 1 0 263.385 2.392 10 0 CEAERO O[C@H]1CCCC[C@@H]1n1c2c(nc1C(F)(F)F)C[NH2+]CC2 ZINC000085571308 179097313 /nfs/dbraw/zinc/09/73/13/179097313.db2.gz HMUHGBPSSGTHMI-QWRGUYRKSA-N 1 0 289.301 2.024 10 0 CEAERO C[C@H]1CC[NH2+][C@H](C(C)(C)C)CN1Cc1cnn(C)c1 ZINC000085624762 179106793 /nfs/dbraw/zinc/10/67/93/179106793.db2.gz WZWXVVWBWCFGCJ-JSGCOSHPSA-N 1 0 264.417 2.019 10 0 CEAERO CCOC[C@@H](C)n1c2c(nc1C(F)(F)F)C[NH2+]CC2 ZINC000085572867 179098189 /nfs/dbraw/zinc/09/81/89/179098189.db2.gz GIQLPSDYMXBAOG-MRVPVSSYSA-N 1 0 277.290 2.145 10 0 CEAERO FC(F)(F)c1nc2c(n1CC[C@@H]1CCCO1)CC[NH2+]C2 ZINC000085573411 179098275 /nfs/dbraw/zinc/09/82/75/179098275.db2.gz YBAWEYMFYNLZTG-VIFPVBQESA-N 1 0 289.301 2.117 10 0 CEAERO O[C@H]1CC[C@H]([NH2+]Cc2ccnc(Br)c2)CC1 ZINC000100279996 185710761 /nfs/dbraw/zinc/71/07/61/185710761.db2.gz JJXRUQGFNNZMKV-PHIMTYICSA-N 1 0 285.185 2.237 10 0 CEAERO CC(C)Cc1nc2c(n1[C@H](C)Cn1cccn1)CC[NH2+]C2 ZINC000085574309 179099215 /nfs/dbraw/zinc/09/92/15/179099215.db2.gz LWMFIQOMRURXTL-CYBMUJFWSA-N 1 0 287.411 2.185 10 0 CEAERO COC[C@H](C)Cn1c2c(nc1-c1ccccc1)C[NH2+]CC2 ZINC000085607134 179100979 /nfs/dbraw/zinc/10/09/79/179100979.db2.gz MRJMHXIQAOBHOD-CYBMUJFWSA-N 1 0 285.391 2.478 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1Nc1ncccc1Br ZINC000063176700 362754338 /nfs/dbraw/zinc/75/43/38/362754338.db2.gz DYLMPOHPYMCQHE-BDAKNGLRSA-N 1 0 256.147 2.136 10 0 CEAERO c1ccc(C[C@H]2CN(Cc3cccnc3)CCC[NH2+]2)cc1 ZINC000085608814 179101405 /nfs/dbraw/zinc/10/14/05/179101405.db2.gz FWWOLYSOCNJQSD-SFHVURJKSA-N 1 0 281.403 2.488 10 0 CEAERO CCC[C@@H]1CN(Cc2cccc(OC)n2)CCC[NH2+]1 ZINC000085612100 179103064 /nfs/dbraw/zinc/10/30/64/179103064.db2.gz KTDBLWFBDJEGED-CYBMUJFWSA-N 1 0 263.385 2.054 10 0 CEAERO C[C@@]1(C2CC2)CN(Cc2cn3ccccc3n2)CCC[NH2+]1 ZINC000085613374 179103260 /nfs/dbraw/zinc/10/32/60/179103260.db2.gz KCVCXPXBFKPREH-KRWDZBQOSA-N 1 0 284.407 2.298 10 0 CEAERO CO[C@H]1CCC[C@@H]([N@@H+]2C[C@H](C3CC3)NCC[C@@H]2C)C1 ZINC000085626699 179107463 /nfs/dbraw/zinc/10/74/63/179107463.db2.gz WZVUYWDDIAPGDQ-DRPJVOAASA-N 1 0 266.429 2.406 10 0 CEAERO C[C@@H]1CCN[C@H](c2ccccc2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085621552 179105607 /nfs/dbraw/zinc/10/56/07/179105607.db2.gz IJMUQSGAVUVSRX-VYDXJSESSA-N 1 0 274.408 2.448 10 0 CEAERO C[C@H]([NH2+][C@H]1[C@@H]2CCCO[C@@H]2C1(C)C)C(=O)N1CCCCC1 ZINC000085674788 179111996 /nfs/dbraw/zinc/11/19/96/179111996.db2.gz NUMXMOFVNXPASS-AJNGGQMLSA-N 1 0 294.439 2.181 10 0 CEAERO CN(C)c1cc[nH+]cc1N[C@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000085632080 179107741 /nfs/dbraw/zinc/10/77/41/179107741.db2.gz FBFQGZZIBKNDMY-SWHYSGLUSA-N 1 0 261.369 2.373 10 0 CEAERO C[C@@H](CN1CCCCC1)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085634986 179109086 /nfs/dbraw/zinc/10/90/86/179109086.db2.gz XYPFJWAYTZCRGO-XQLPTFJDSA-N 1 0 266.429 2.264 10 0 CEAERO CC(C)CCOCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000085637367 179109755 /nfs/dbraw/zinc/10/97/55/179109755.db2.gz VBIBFYZZNGKNBE-MCIONIFRSA-N 1 0 255.402 2.452 10 0 CEAERO CCC[NH2+][C@@H](C(N)=O)c1ccc(Br)c(C)c1 ZINC000085707278 179121944 /nfs/dbraw/zinc/12/19/44/179121944.db2.gz JZMXXRBPGUYYNX-LLVKDONJSA-N 1 0 285.185 2.284 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccc(N2CCOC[C@@H]2C)cc1C ZINC000111493207 136562199 /nfs/dbraw/zinc/56/21/99/136562199.db2.gz AXGVDQZALVOHCP-DZGCQCFKSA-N 1 0 262.397 2.500 10 0 CEAERO [NH3+][C@@H](Cc1ccccc1)C1(N2CCOCC2)CCCC1 ZINC000085752807 179144597 /nfs/dbraw/zinc/14/45/97/179144597.db2.gz CMAIAFNKSCQNGS-INIZCTEOSA-N 1 0 274.408 2.201 10 0 CEAERO CN(C(=O)C[C@@H]1CC[NH2+]C1)[C@H]1CCc2ccccc2C1 ZINC000129406340 365854147 /nfs/dbraw/zinc/85/41/47/365854147.db2.gz LYIIRFXNPZCUQQ-BBRMVZONSA-N 1 0 272.392 2.002 10 0 CEAERO CN(C1CCCCC1)S(=O)(=O)Nc1ccccc1C[NH3+] ZINC000085810680 179177553 /nfs/dbraw/zinc/17/75/53/179177553.db2.gz XDJAEFUGRNEBMS-UHFFFAOYSA-N 1 0 297.424 2.067 10 0 CEAERO [NH3+][C@]1(c2nc3ccc(F)cc3n2C2CC2)CCOC1 ZINC000085849960 179187893 /nfs/dbraw/zinc/18/78/93/179187893.db2.gz MKNZWADJTAWCJO-CQSZACIVSA-N 1 0 261.300 2.085 10 0 CEAERO CC(C)n1c2cc(F)ccc2nc1[C@]1([NH3+])CCOC1 ZINC000085849938 179188236 /nfs/dbraw/zinc/18/82/36/179188236.db2.gz PBKDDHWSRBDNKP-AWEZNQCLSA-N 1 0 263.316 2.331 10 0 CEAERO CC[C@H](NC(=O)[C@@]1([NH3+])CCOC1)c1cccc(Cl)c1 ZINC000085870225 179192548 /nfs/dbraw/zinc/19/25/48/179192548.db2.gz OHOGLWYXHYZDNM-GXTWGEPZSA-N 1 0 282.771 2.025 10 0 CEAERO COc1ccc(Br)cc1[C@H](O)[C@H](C)C[NH3+] ZINC000085902367 179196122 /nfs/dbraw/zinc/19/61/22/179196122.db2.gz NNMJHNGJLHLFSH-RDDDGLTNSA-N 1 0 274.158 2.086 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)CCC2 ZINC000085965107 179205594 /nfs/dbraw/zinc/20/55/94/179205594.db2.gz GRJTYQSJQMWJKI-CVEARBPZSA-N 1 0 272.392 2.423 10 0 CEAERO CO[C@@H](C(=O)NC[C@@H]1CCCC[C@@H]1[NH3+])c1ccccc1 ZINC000085965736 179205619 /nfs/dbraw/zinc/20/56/19/179205619.db2.gz NCBQEQJECLHLJY-SOUVJXGZSA-N 1 0 276.380 2.008 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1CNC(=O)c1cccc(F)c1 ZINC000085967130 179205831 /nfs/dbraw/zinc/20/58/31/179205831.db2.gz ZQLJLMPWHILOAG-DGCLKSJQSA-N 1 0 250.317 2.073 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1CNC(=O)c1cc(F)cc(F)c1 ZINC000085966639 179205997 /nfs/dbraw/zinc/20/59/97/179205997.db2.gz UZOWDTCTFZWPAH-RNCFNFMXSA-N 1 0 268.307 2.212 10 0 CEAERO CCC[NH2+][C@H](CCO)CN(CC(F)(F)F)C(C)C ZINC000085922511 179201041 /nfs/dbraw/zinc/20/10/41/179201041.db2.gz WQXALEHDXMRZCE-LLVKDONJSA-N 1 0 270.339 2.010 10 0 CEAERO CCC[NH2+][C@H](CCO)COc1ccc(OCC)cc1 ZINC000085924109 179201319 /nfs/dbraw/zinc/20/13/19/179201319.db2.gz JAXFZSBYFNNNEH-CYBMUJFWSA-N 1 0 267.369 2.215 10 0 CEAERO CCC[NH2+][C@@H](CCO)C[S@](=O)c1ccccc1Cl ZINC000085926325 179202114 /nfs/dbraw/zinc/20/21/14/179202114.db2.gz BFWGZBZEDKPVJF-BBATYDOGSA-N 1 0 289.828 2.198 10 0 CEAERO C[NH2+][C@H](CCO)C[S@@](=O)c1cc(Cl)ccc1Cl ZINC000085926728 179202260 /nfs/dbraw/zinc/20/22/60/179202260.db2.gz CVXQWVONMAGLJP-XLFHBGCDSA-N 1 0 296.219 2.071 10 0 CEAERO C[C@H]1CN(c2ncc(Br)cc2C[NH3+])C[C@H]1C ZINC000086012401 179214606 /nfs/dbraw/zinc/21/46/06/179214606.db2.gz SAOQCLKGZJFOCF-DTORHVGOSA-N 1 0 284.201 2.395 10 0 CEAERO C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2C2CCCCC2)C1 ZINC000132935980 290810960 /nfs/dbraw/zinc/81/09/60/290810960.db2.gz IQDHNJRHHACWSX-KFWWJZLASA-N 1 0 264.413 2.413 10 0 CEAERO C[NH2+][C@H](c1ccc2c(c1)CCCC2)[C@H]1CCS(=O)(=O)C1 ZINC000086020334 179217772 /nfs/dbraw/zinc/21/77/72/179217772.db2.gz SYLYDXMIMIFCAT-JKSUJKDBSA-N 1 0 293.432 2.261 10 0 CEAERO Cc1cccc(NC(=O)C[NH2+]C[C@@H]2CCCC[C@@H]2O)c1 ZINC000085985789 179211809 /nfs/dbraw/zinc/21/18/09/179211809.db2.gz GBAQPAKQUTXXCE-ZFWWWQNUSA-N 1 0 276.380 2.074 10 0 CEAERO CC[C@@H](C)[NH2+]Cc1cnc2cnc(Br)cn12 ZINC000086004169 179214361 /nfs/dbraw/zinc/21/43/61/179214361.db2.gz DJJBCZIIHCXUKB-MRVPVSSYSA-N 1 0 283.173 2.380 10 0 CEAERO CC[NH2+][C@H]1CC[C@@H](Sc2n[nH]c(=O)n2C(C)C)[C@@H]1C ZINC000086045589 179222841 /nfs/dbraw/zinc/22/28/41/179222841.db2.gz QQPHZEYJVNMXNJ-OUAUKWLOSA-N 1 0 284.429 2.021 10 0 CEAERO CCCc1cc(=O)[nH]c(S[C@H]2CC[C@@H]([NH2+]C)[C@@H]2C)n1 ZINC000086044563 179223127 /nfs/dbraw/zinc/22/31/27/179223127.db2.gz WLUJFIWNRFNRJP-WCQGTBRESA-N 1 0 281.425 2.201 10 0 CEAERO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OCC(N)=O)cc2)[C@@H]1C ZINC000086070439 179224232 /nfs/dbraw/zinc/22/42/32/179224232.db2.gz LGPWKFBAVDJDTI-JMSVASOKSA-N 1 0 276.380 2.075 10 0 CEAERO C[C@H]1[C@H]([NH2+]Cc2cnc(N(C)C)n2C)CC[C@@H]1C ZINC000086073615 179224965 /nfs/dbraw/zinc/22/49/65/179224965.db2.gz VRDNWMCIPCIXQZ-DMDPSCGWSA-N 1 0 250.390 2.010 10 0 CEAERO C[C@@H]1[C@@H](C)CC[C@@H]1[NH2+]Cc1cnc(N(C)C)n1C ZINC000086073611 179224990 /nfs/dbraw/zinc/22/49/90/179224990.db2.gz VRDNWMCIPCIXQZ-LOWVWBTDSA-N 1 0 250.390 2.010 10 0 CEAERO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2F)[C@@H]1C ZINC000086075901 179225582 /nfs/dbraw/zinc/22/55/82/179225582.db2.gz LFBCROFAEWZNER-GPCCPHFNSA-N 1 0 264.344 2.449 10 0 CEAERO C[C@H]1[C@H](NC(=O)CC[C@@H]2CCCC[NH2+]2)CC[C@@H]1C ZINC000086076397 179225605 /nfs/dbraw/zinc/22/56/05/179225605.db2.gz BOZCWBXBZVCSRQ-RFQIPJPRSA-N 1 0 252.402 2.460 10 0 CEAERO CC[NH2+][C@H](c1ccc2c(c1)CCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000086021192 179218751 /nfs/dbraw/zinc/21/87/51/179218751.db2.gz AJGLFTDVVMNZGH-HZPDHXFCSA-N 1 0 293.432 2.261 10 0 CEAERO CCC[NH2+][C@@H](c1ccc(C)o1)[C@H]1CCS(=O)(=O)C1 ZINC000086022334 179218800 /nfs/dbraw/zinc/21/88/00/179218800.db2.gz PRMUKPRDYAUJKC-WCQYABFASA-N 1 0 271.382 2.063 10 0 CEAERO CCC[NH2+][C@@H](c1ccc(CC)o1)[C@H]1CCS(=O)(=O)C1 ZINC000086022623 179219027 /nfs/dbraw/zinc/21/90/27/179219027.db2.gz AFJGMWOCXATFKL-SMDDNHRTSA-N 1 0 285.409 2.317 10 0 CEAERO CCC[C@H](C)NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000603582518 347380491 /nfs/dbraw/zinc/38/04/91/347380491.db2.gz WURJRGVEIHLTMZ-AVGNSLFASA-N 1 0 253.390 2.053 10 0 CEAERO C[NH2+][C@@H]1CC[C@H](S(=O)(=O)C2CCCCC2)[C@@H]1C ZINC000086041654 179222100 /nfs/dbraw/zinc/22/21/00/179222100.db2.gz GKIDCULMRKIPQL-RTXFEEFZSA-N 1 0 259.415 2.120 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CC[C@@H]1S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000086040973 179222240 /nfs/dbraw/zinc/22/22/40/179222240.db2.gz GCJNWQYRMLPABG-KMUNFCNLSA-N 1 0 279.405 2.075 10 0 CEAERO Cc1cc(CN2CC[NH2+][C@@H](c3ccccc3)C2)on1 ZINC000086146397 179238473 /nfs/dbraw/zinc/23/84/73/179238473.db2.gz YXIBXGOTEBYEGY-OAHLLOKOSA-N 1 0 257.337 2.130 10 0 CEAERO CCC[NH2+]Cc1nnnn1[C@@H]1CC[C@H](CC)[C@@H]1C ZINC000086107361 179230704 /nfs/dbraw/zinc/23/07/04/179230704.db2.gz AICJUUMJAIMKPX-SDDRHHMPSA-N 1 0 251.378 2.170 10 0 CEAERO CC[C@@H]1CC[C@@H](n2nnnc2C[NH2+]CC(C)C)[C@@H]1C ZINC000086107393 179230907 /nfs/dbraw/zinc/23/09/07/179230907.db2.gz OOCUTOPODKRZII-JHJVBQTASA-N 1 0 265.405 2.416 10 0 CEAERO CC[C@@](C[NH3+])(C1CC1)N1CCOc2ccccc2C1 ZINC000086120768 179234908 /nfs/dbraw/zinc/23/49/08/179234908.db2.gz FWAPZEUIDVFSJC-MRXNPFEDSA-N 1 0 260.381 2.399 10 0 CEAERO C[C@@]1(C2CC2)CN(CCc2ccc(F)cc2)CC[NH2+]1 ZINC000086124029 179236187 /nfs/dbraw/zinc/23/61/87/179236187.db2.gz NRDIGQVXAGFLEG-INIZCTEOSA-N 1 0 262.372 2.442 10 0 CEAERO c1ccc(CCN2CC[NH2+]C3(CCCCC3)C2)nc1 ZINC000086130625 179237037 /nfs/dbraw/zinc/23/70/37/179237037.db2.gz DESNFGNYUOCJIO-UHFFFAOYSA-N 1 0 259.397 2.232 10 0 CEAERO CC[C@H]1CC[C@H](NC(=O)c2ccc(C[NH3+])cn2)[C@@H]1C ZINC000086082851 179227918 /nfs/dbraw/zinc/22/79/18/179227918.db2.gz MDOYOBDOFJHJSY-WXHSDQCUSA-N 1 0 261.369 2.095 10 0 CEAERO CC[C@H]1CC[C@@H](NC(=O)c2cnn(CCC[NH3+])c2C)[C@@H]1C ZINC000086082833 179228377 /nfs/dbraw/zinc/22/83/77/179228377.db2.gz VZJRCLGWEMKOKB-OSAQELSMSA-N 1 0 292.427 2.095 10 0 CEAERO CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(OCC(N)=O)cc2)[C@@H]1C ZINC000086083717 179228784 /nfs/dbraw/zinc/22/87/84/179228784.db2.gz SUTVYQVDGQVWGB-IVMMDQJWSA-N 1 0 290.407 2.465 10 0 CEAERO C(CN1CC[NH2+]C2(CCCC2)C1)OC1CCCC1 ZINC000086149486 179240400 /nfs/dbraw/zinc/24/04/00/179240400.db2.gz AEQFNIKYJQQXCS-UHFFFAOYSA-N 1 0 252.402 2.164 10 0 CEAERO C[C@H]1C[N@H+](C2CCOCC2)[C@H](c2ccccc2)CN1 ZINC000086154411 179241334 /nfs/dbraw/zinc/24/13/34/179241334.db2.gz LITXWVDROSUQIB-BBRMVZONSA-N 1 0 260.381 2.200 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1CCc1ccncc1 ZINC000086171907 179243225 /nfs/dbraw/zinc/24/32/25/179243225.db2.gz HMKVVNDAXPATAQ-HZPDHXFCSA-N 1 0 261.413 2.333 10 0 CEAERO Cc1csc(CCN2CC[NH2+]C3(CCCC3)C2)n1 ZINC000086148840 179239842 /nfs/dbraw/zinc/23/98/42/179239842.db2.gz ISLMLZZDEICWCN-UHFFFAOYSA-N 1 0 265.426 2.212 10 0 CEAERO Brc1csc(-c2noc(C3C[NH2+]C3)n2)c1 ZINC000086194465 179248597 /nfs/dbraw/zinc/24/85/97/179248597.db2.gz DFVHDLHDNKKVCY-UHFFFAOYSA-N 1 0 286.154 2.247 10 0 CEAERO CC[C@H]1CN[C@H](C2CC2)C[N@@H+]1[C@@H](C)[C@@H]1CCCO1 ZINC000086218202 179249855 /nfs/dbraw/zinc/24/98/55/179249855.db2.gz KAHHLODEJZFPDL-MXAVVETBSA-N 1 0 252.402 2.016 10 0 CEAERO CCC1(CC)CN(CCc2ccccn2)[C@@H](C)C[NH2+]1 ZINC000086221467 179250448 /nfs/dbraw/zinc/25/04/48/179250448.db2.gz UHRBIEWWTYALAE-AWEZNQCLSA-N 1 0 261.413 2.477 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C2CC2)CN1CCc1ccccn1 ZINC000086221458 179250531 /nfs/dbraw/zinc/25/05/31/179250531.db2.gz FHUCRWKWQMXCNV-CVEARBPZSA-N 1 0 259.397 2.087 10 0 CEAERO CC[C@@H]1CN[C@H](C(C)(C)C)C[N@@H+]1C1CCOCC1 ZINC000086218778 179250538 /nfs/dbraw/zinc/25/05/38/179250538.db2.gz NXXFXMQVYXDLSO-OCCSQVGLSA-N 1 0 254.418 2.264 10 0 CEAERO C[C@H]1CNC2(CCCCC2)C[N@@H+]1C1CCOCC1 ZINC000086218791 179250738 /nfs/dbraw/zinc/25/07/38/179250738.db2.gz CIKLSYZWKKXNNX-ZDUSSCGKSA-N 1 0 252.402 2.162 10 0 CEAERO C[C@H]1C[NH2+][C@H](C(C)(C)C)CN1CCc1ccccn1 ZINC000086221483 179251018 /nfs/dbraw/zinc/25/10/18/179251018.db2.gz KNEVOYBJGSYVPA-ZFWWWQNUSA-N 1 0 261.413 2.333 10 0 CEAERO C[C@@H]1CN[C@H](C2CCCCC2)C[N@@H+]1C1CCOCC1 ZINC000086218796 179251023 /nfs/dbraw/zinc/25/10/23/179251023.db2.gz TUPNDUKOIQQILN-CJNGLKHVSA-N 1 0 266.429 2.408 10 0 CEAERO C[C@@H]1C[NH2+]C2(CCCC2)CN1Cc1nccs1 ZINC000086226888 179253051 /nfs/dbraw/zinc/25/30/51/179253051.db2.gz RGEJXWMMVUHTFQ-LLVKDONJSA-N 1 0 251.399 2.250 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C2CC2)CN1Cc1cnc(C)s1 ZINC000086226742 179253382 /nfs/dbraw/zinc/25/33/82/179253382.db2.gz ONWSBDLJQSNQIE-OCCSQVGLSA-N 1 0 265.426 2.414 10 0 CEAERO CC[C@H]1CN(Cc2csc(C)n2)[C@@H](CC)C[NH2+]1 ZINC000086226985 179253512 /nfs/dbraw/zinc/25/35/12/179253512.db2.gz OLEBFVHTJSPFDE-AAEUAGOBSA-N 1 0 253.415 2.414 10 0 CEAERO OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1[nH]nc2ccccc21 ZINC000606914243 347500389 /nfs/dbraw/zinc/50/03/89/347500389.db2.gz SIKQHKDYKGZQMB-AAEUAGOBSA-N 1 0 259.353 2.204 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](c2ccccc2)CN1Cc1nc(C)no1 ZINC000086260311 179259351 /nfs/dbraw/zinc/25/93/51/179259351.db2.gz QGZIUOMFSOKVES-HUUCEWRRSA-N 1 0 286.379 2.303 10 0 CEAERO CC[C@H]1C[NH2+]C2(CCCC2)CN1Cc1ccnc(C)n1 ZINC000086260228 179259426 /nfs/dbraw/zinc/25/94/26/179259426.db2.gz YCPCDWUMJMVKSC-HNNXBMFYSA-N 1 0 274.412 2.282 10 0 CEAERO Cc1nccc(CN2C[C@H](c3ccccc3)[NH2+]C[C@@H]2C)n1 ZINC000086260183 179259598 /nfs/dbraw/zinc/25/95/98/179259598.db2.gz RBFDQZHOTAEWMK-SUMWQHHRSA-N 1 0 282.391 2.320 10 0 CEAERO COC[C@H](C)C[N@@H+]1C[C@@](C)(C2CC2)NC[C@@H]1C(C)C ZINC000086260930 179259955 /nfs/dbraw/zinc/25/99/55/179259955.db2.gz IEWSTXQSNMESKH-BMFZPTHFSA-N 1 0 268.445 2.367 10 0 CEAERO CC(C)[C@H]1C[NH2+]C(C)(C)CN1CCc1nccs1 ZINC000086264308 179260955 /nfs/dbraw/zinc/26/09/55/179260955.db2.gz NZJKXKVOHBDVFN-GFCCVEGCSA-N 1 0 267.442 2.394 10 0 CEAERO C[C@H]1C[NH2+][C@@H](C2CCCCC2)CN1Cc1nccn1C ZINC000086264828 179261022 /nfs/dbraw/zinc/26/10/22/179261022.db2.gz STTGANOFNXNHSI-DZGCQCFKSA-N 1 0 276.428 2.163 10 0 CEAERO CC[C@@H]1C[NH2+][C@](C)(CC)CN1Cc1cscn1 ZINC000086265461 179261833 /nfs/dbraw/zinc/26/18/33/179261833.db2.gz WLABZZVBAQFNLG-CHWSQXEVSA-N 1 0 253.415 2.496 10 0 CEAERO CC[C@H]1CN(CCOC2CCCC2)[C@@H](CC)C[NH2+]1 ZINC000086265706 179261915 /nfs/dbraw/zinc/26/19/15/179261915.db2.gz FEDPVBBUFYHOEG-KBPBESRZSA-N 1 0 254.418 2.408 10 0 CEAERO COCC[C@H](C)[N@@H+]1C[C@H](C2CC2)NC[C@@H]1C(C)C ZINC000086268092 179262563 /nfs/dbraw/zinc/26/25/63/179262563.db2.gz BNGWYSMZRIQHKU-NWANDNLSSA-N 1 0 254.418 2.120 10 0 CEAERO CN(c1nc(Br)cs1)C1CC[NH+](C)CC1 ZINC000086279278 179262733 /nfs/dbraw/zinc/26/27/33/179262733.db2.gz DEMAEIUAUVLNFP-UHFFFAOYSA-N 1 0 290.230 2.436 10 0 CEAERO CC[C@@H]1CN(CCOc2cccc(C)c2)CCC[NH2+]1 ZINC000086291092 179265228 /nfs/dbraw/zinc/26/52/28/179265228.db2.gz AGVYYOYEZYRNRG-OAHLLOKOSA-N 1 0 262.397 2.448 10 0 CEAERO CC(C)C[C@H]1CN(CCc2ccccn2)CCC[NH2+]1 ZINC000086288177 179264696 /nfs/dbraw/zinc/26/46/96/179264696.db2.gz AXWJJPPSJFWSAI-INIZCTEOSA-N 1 0 261.413 2.334 10 0 CEAERO C[C@]1(c2ccccc2)C[N@@H+](C2CCOCC2)CCCN1 ZINC000086287276 179264878 /nfs/dbraw/zinc/26/48/78/179264878.db2.gz IMUCDKPCGIIRKX-QGZVFWFLSA-N 1 0 274.408 2.376 10 0 CEAERO Cc1ncc(CN2CCC[NH2+][C@@H](C(C)C)C2)s1 ZINC000086289963 179264960 /nfs/dbraw/zinc/26/49/60/179264960.db2.gz NYQADYCRQSUNGD-CYBMUJFWSA-N 1 0 253.415 2.271 10 0 CEAERO C[C@H]1CN[C@@](C)(C2CC2)C[N@@H+]1CC[C@@H]1CCCO1 ZINC000086258792 179257146 /nfs/dbraw/zinc/25/71/46/179257146.db2.gz XUZDKINOIFZROK-AEGPPILISA-N 1 0 252.402 2.018 10 0 CEAERO C[NH2+][C@@H]1CCCN(c2nc(Br)cs2)C1 ZINC000086290684 179265638 /nfs/dbraw/zinc/26/56/38/179265638.db2.gz FYYFKAQOZSZMSR-SSDOTTSWSA-N 1 0 276.203 2.094 10 0 CEAERO CC[NH2+]CCCNc1nc(Br)cs1 ZINC000086290566 179265776 /nfs/dbraw/zinc/26/57/76/179265776.db2.gz XWBBDSXBVRTOMV-UHFFFAOYSA-N 1 0 264.192 2.317 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1Nc1nc(Br)cs1 ZINC000086291025 179265826 /nfs/dbraw/zinc/26/58/26/179265826.db2.gz RNEQCLDIFWNQEP-NKWVEPMBSA-N 1 0 276.203 2.445 10 0 CEAERO CC[C@H](C)[C@H]1CN(Cc2cc(C)no2)CCC[NH2+]1 ZINC000086292724 179266231 /nfs/dbraw/zinc/26/62/31/179266231.db2.gz GYVMJGHJUYNJER-SMDDNHRTSA-N 1 0 251.374 2.193 10 0 CEAERO c1csc(CCN2CCC[NH2+]C3(CCCC3)C2)n1 ZINC000086296848 179267499 /nfs/dbraw/zinc/26/74/99/179267499.db2.gz KAOLRCRTMNDCGW-UHFFFAOYSA-N 1 0 265.426 2.294 10 0 CEAERO C[NH2+][C@@H]1CCCc2sc(N(C)Cc3cnn(C)c3)nc21 ZINC000086443779 179293485 /nfs/dbraw/zinc/29/34/85/179293485.db2.gz OLHFBHSPMAYOEG-LLVKDONJSA-N 1 0 291.424 2.110 10 0 CEAERO CN(CC[NH+]1CCCC1)c1nc2c(s1)CCCC2=O ZINC000086441808 179293522 /nfs/dbraw/zinc/29/35/22/179293522.db2.gz BIBIVWCLJYOGQR-UHFFFAOYSA-N 1 0 279.409 2.194 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)c1ccc(OC)cc1O ZINC000086446954 179295821 /nfs/dbraw/zinc/29/58/21/179295821.db2.gz LUOINPCLEVDBMH-NWDGAFQWSA-N 1 0 292.379 2.003 10 0 CEAERO CC(C)[NH+]1CCN(c2nc3c(s2)CCC[C@H]3O)CC1 ZINC000086444462 179294636 /nfs/dbraw/zinc/29/46/36/179294636.db2.gz QNOJCKCEJJWTBG-LLVKDONJSA-N 1 0 281.425 2.043 10 0 CEAERO CC(C)[NH+]1CCN(c2nc3c(s2)CCC[C@@H]3O)CC1 ZINC000086444461 179294786 /nfs/dbraw/zinc/29/47/86/179294786.db2.gz QNOJCKCEJJWTBG-NSHDSACASA-N 1 0 281.425 2.043 10 0 CEAERO CC[C@@H]1CN(C(=O)c2ccc(OC)cc2)[C@H](CC)C[NH2+]1 ZINC000086446985 179295743 /nfs/dbraw/zinc/29/57/43/179295743.db2.gz FUAQJBBQQXIYJC-ZIAGYGMSSA-N 1 0 276.380 2.298 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)Cc1ccc(OC)cc1 ZINC000086447180 179295765 /nfs/dbraw/zinc/29/57/65/179295765.db2.gz RCQXXKDZAZUMGE-LSDHHAIUSA-N 1 0 290.407 2.227 10 0 CEAERO C[C@]([NH3+])(c1nc([C@H]2Cc3ccccc32)no1)C1CC1 ZINC000086486401 179301901 /nfs/dbraw/zinc/30/19/01/179301901.db2.gz SQCFOGXSGLWXJN-SWLSCSKDSA-N 1 0 255.321 2.342 10 0 CEAERO CC[C@]1(c2nc([C@@H]3Cc4ccccc43)no2)CC[NH2+]C1 ZINC000086486346 179301908 /nfs/dbraw/zinc/30/19/08/179301908.db2.gz BJBYZOZKCCYQRH-CJNGLKHVSA-N 1 0 269.348 2.399 10 0 CEAERO COc1ccc(C[NH2+]CCc2c[nH]cn2)cc1OC(F)F ZINC000086507151 179303487 /nfs/dbraw/zinc/30/34/87/179303487.db2.gz DERQEBRREIDLGY-UHFFFAOYSA-N 1 0 297.305 2.352 10 0 CEAERO [NH2+]=C1NC[C@@H](c2ccc(Br)cc2)N1C1CC1 ZINC000086460208 179296231 /nfs/dbraw/zinc/29/62/31/179296231.db2.gz IKTDPIHEHJDOHB-NSHDSACASA-N 1 0 280.169 2.283 10 0 CEAERO CN1C(=[NH2+])NC[C@]1(C)c1ccc(F)c(Br)c1 ZINC000086458574 179296240 /nfs/dbraw/zinc/29/62/40/179296240.db2.gz QFJJMQDYVOHQFE-LLVKDONJSA-N 1 0 286.148 2.064 10 0 CEAERO COC(OC)[C@@H]([NH3+])Cc1ccc(F)cc1Br ZINC000086451792 179296627 /nfs/dbraw/zinc/29/66/27/179296627.db2.gz ROVOTBOFFILFDJ-JTQLQIEISA-N 1 0 292.148 2.077 10 0 CEAERO CC[C@@H]1CN(CC(=O)Nc2ccccc2C)[C@@H](CC)C[NH2+]1 ZINC000086464811 179296889 /nfs/dbraw/zinc/29/68/89/179296889.db2.gz SWDZYOYFVZTYSE-CABCVRRESA-N 1 0 289.423 2.396 10 0 CEAERO CC[C@H]1CN(CC(=O)Nc2ccc(F)cc2)[C@@H](CC)C[NH2+]1 ZINC000086465435 179296955 /nfs/dbraw/zinc/29/69/55/179296955.db2.gz TWLVGKJPOBCAIJ-ZFWWWQNUSA-N 1 0 293.386 2.227 10 0 CEAERO CC(C)N(C(=O)CN1C[C@@H](C)[NH2+]C[C@@H]1C)C1CCCCC1 ZINC000086469609 179299673 /nfs/dbraw/zinc/29/96/73/179299673.db2.gz AETHPABMYHYIPY-CABCVRRESA-N 1 0 295.471 2.238 10 0 CEAERO C[C@H]1CN(CC(C)(C)C(=O)Nc2ccccc2)[C@@H](C)C[NH2+]1 ZINC000086470298 179299857 /nfs/dbraw/zinc/29/98/57/179299857.db2.gz PPZGYBKJSXBQFC-KBPBESRZSA-N 1 0 289.423 2.334 10 0 CEAERO COC(OC)[C@@H]([NH3+])c1cscc1Br ZINC000086556035 179307257 /nfs/dbraw/zinc/30/72/57/179307257.db2.gz MEEQUWBWDMMVEB-ZETCQYMHSA-N 1 0 266.160 2.129 10 0 CEAERO CC[C@@H](C[NH3+])N1CCN(C(=O)C2CCCCCCC2)CC1 ZINC000086577561 179308515 /nfs/dbraw/zinc/30/85/15/179308515.db2.gz DYRSDPBKDNZVSF-INIZCTEOSA-N 1 0 295.471 2.228 10 0 CEAERO [NH3+]CCCN1CCCN(C(=O)C2CCCCCCC2)CC1 ZINC000086577481 179308557 /nfs/dbraw/zinc/30/85/57/179308557.db2.gz LUXKONOWSVITJT-UHFFFAOYSA-N 1 0 295.471 2.230 10 0 CEAERO CO[C@@H](C)[C@@H]([NH3+])Cc1ccc(Br)cc1 ZINC000086576441 179308816 /nfs/dbraw/zinc/30/88/16/179308816.db2.gz LFNXLTGVPPMNKO-KWQFWETISA-N 1 0 258.159 2.354 10 0 CEAERO C(c1noc(C2CCCCCCC2)n1)N1CC[NH2+]CC1 ZINC000086581897 179308964 /nfs/dbraw/zinc/30/89/64/179308964.db2.gz SOQDEJVUTIRYGY-UHFFFAOYSA-N 1 0 278.400 2.303 10 0 CEAERO COc1ccc([C@H](O)c2c[nH+]ccc2N)cc1Cl ZINC000086596263 179310809 /nfs/dbraw/zinc/31/08/09/179310809.db2.gz ZERNREBDQBRFHS-ZDUSSCGKSA-N 1 0 264.712 2.408 10 0 CEAERO C[C@@H](CO)C[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000086629280 179313392 /nfs/dbraw/zinc/31/33/92/179313392.db2.gz NIFTVVQZNAGQGR-CHWSQXEVSA-N 1 0 259.353 2.151 10 0 CEAERO COc1ncccc1-c1nc2cc(C[NH3+])ccc2n1C ZINC000086637455 179315297 /nfs/dbraw/zinc/31/52/97/179315297.db2.gz YLARADDALVSKJV-UHFFFAOYSA-N 1 0 268.320 2.103 10 0 CEAERO CCC(CC)(CC)NS(=O)(=O)c1ccc(C[NH3+])s1 ZINC000086647092 179316561 /nfs/dbraw/zinc/31/65/61/179316561.db2.gz ASYXFXZHCZTREO-UHFFFAOYSA-N 1 0 290.454 2.454 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1S(C)(=O)=O)c1ccccc1F ZINC000086674844 179318851 /nfs/dbraw/zinc/31/88/51/179318851.db2.gz UOXJFAZTZSCORH-HONMWMINSA-N 1 0 285.384 2.442 10 0 CEAERO CS(=O)(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000086675890 179319086 /nfs/dbraw/zinc/31/90/86/179319086.db2.gz KHRQODUQSXQBCM-CHWSQXEVSA-N 1 0 287.812 2.395 10 0 CEAERO CC(C)(C)C1CCC(C[NH3+])(OCC(=O)NC2CC2)CC1 ZINC000086713684 179322917 /nfs/dbraw/zinc/32/29/17/179322917.db2.gz JPDHMOCTSDXULI-UHFFFAOYSA-N 1 0 282.428 2.215 10 0 CEAERO CCS(=O)(=O)c1ccccc1N[C@H]1CCC[N@H+](C)CC1 ZINC000086818392 179346870 /nfs/dbraw/zinc/34/68/70/179346870.db2.gz DCJLQQMQDCDZNJ-ZDUSSCGKSA-N 1 0 296.436 2.376 10 0 CEAERO C[N@@H+]1CCC[C@@](O)(c2ccc3c(c2)OCCCO3)CC1 ZINC000086834190 179350145 /nfs/dbraw/zinc/35/01/45/179350145.db2.gz CQPPLQRBDFUZQV-INIZCTEOSA-N 1 0 277.364 2.151 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2cc(C(N)=O)c(F)cc2F)CC1 ZINC000086837705 179351765 /nfs/dbraw/zinc/35/17/65/179351765.db2.gz MKNIAXFXFYAEQE-SNVBAGLBSA-N 1 0 297.349 2.350 10 0 CEAERO COc1ccc(CN[C@H]2CCC[N@@H+](C(C)C)CC2)cn1 ZINC000086836780 179351847 /nfs/dbraw/zinc/35/18/47/179351847.db2.gz HHHWGRIMTSPTHR-HNNXBMFYSA-N 1 0 277.412 2.443 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NCc2nc(C)cs2)CC1 ZINC000086842212 179352417 /nfs/dbraw/zinc/35/24/17/179352417.db2.gz RYGNDZRTLWGMLX-GFCCVEGCSA-N 1 0 253.415 2.416 10 0 CEAERO CC(C)C[C@H]([NH2+][C@H]1CCC[N@@H+](C(C)C)CC1)C(=O)[O-] ZINC000086843285 179353593 /nfs/dbraw/zinc/35/35/93/179353593.db2.gz HSXIBYQEATXGGH-KBPBESRZSA-N 1 0 270.417 2.338 10 0 CEAERO C[C@H]([NH2+][C@H]1CCCOCC1)c1ccc(NC(N)=O)cc1 ZINC000086873201 179364872 /nfs/dbraw/zinc/36/48/72/179364872.db2.gz BSHJURAGRXAUQX-AAEUAGOBSA-N 1 0 277.368 2.397 10 0 CEAERO CC[N@@H+]1CCC[C@@H]([NH+]2CCC(C)(C(=O)[O-])CC2)CC1 ZINC000086869065 179362286 /nfs/dbraw/zinc/36/22/86/179362286.db2.gz SHEMDSFOHGSVCD-CYBMUJFWSA-N 1 0 268.401 2.048 10 0 CEAERO CCC[N@H+](CC(=O)[O-])[C@@H]1CCC[NH+](CCC)CC1 ZINC000086869056 179362943 /nfs/dbraw/zinc/36/29/43/179362943.db2.gz TUTJQHQQFXBGMC-CYBMUJFWSA-N 1 0 256.390 2.048 10 0 CEAERO COc1ccccc1CN(C)[C@@]1(C[NH3+])CCCOCC1 ZINC000086875147 179364914 /nfs/dbraw/zinc/36/49/14/179364914.db2.gz NUAGAGCOEVGYLU-INIZCTEOSA-N 1 0 278.396 2.025 10 0 CEAERO [NH3+][C@]1(Cc2ccn(C3CCCC3)n2)CCCOCC1 ZINC000086870440 179363420 /nfs/dbraw/zinc/36/34/20/179363420.db2.gz RESYGXCGCLAZAS-OAHLLOKOSA-N 1 0 263.385 2.439 10 0 CEAERO COc1ccc(C[C@]2([NH3+])CCCOCC2)cc1F ZINC000086870402 179363522 /nfs/dbraw/zinc/36/35/22/179363522.db2.gz DKFSNVPPDKRGIM-AWEZNQCLSA-N 1 0 253.317 2.275 10 0 CEAERO COc1ccc(CN(C)[C@@]2(C[NH3+])CCCOCC2)cc1 ZINC000086875137 179364544 /nfs/dbraw/zinc/36/45/44/179364544.db2.gz NUCAEXLKHVRWQE-INIZCTEOSA-N 1 0 278.396 2.025 10 0 CEAERO CCOC(=O)[C@@]1(N[C@H](C)CC)CCC[N@H+](CC)CC1 ZINC000086850532 179358256 /nfs/dbraw/zinc/35/82/56/179358256.db2.gz YSBOUCOXYFQKBL-UKRRQHHQSA-N 1 0 270.417 2.182 10 0 CEAERO CCS(=O)(=O)CCC[C@H](Cc1cccc(OC)c1)[NH2+]C ZINC000086979019 179372414 /nfs/dbraw/zinc/37/24/14/179372414.db2.gz XVCIFYGITIIULU-CQSZACIVSA-N 1 0 299.436 2.041 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccc(OCCCS(=O)(=O)CC)cc1 ZINC000086980013 179372928 /nfs/dbraw/zinc/37/29/28/179372928.db2.gz CPKOUDBUDWOPHS-CQSZACIVSA-N 1 0 299.436 2.170 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH3+])c1ccccc1F ZINC000086979546 179373089 /nfs/dbraw/zinc/37/30/89/179373089.db2.gz QVLXZOBWAYLNMC-LBPRGKRZSA-N 1 0 259.346 2.040 10 0 CEAERO C[NH2+][C@]1(c2nc3c(s2)CCC3)CCCOCC1 ZINC000086876943 179365197 /nfs/dbraw/zinc/36/51/97/179365197.db2.gz XRKYIBKLAUFSCH-CYBMUJFWSA-N 1 0 252.383 2.247 10 0 CEAERO COc1ccc(Br)c(C=C2C[NH2+]C2)c1 ZINC000086881992 179365385 /nfs/dbraw/zinc/36/53/85/179365385.db2.gz RPZCFOSVBQWNGL-UHFFFAOYSA-N 1 0 254.127 2.444 10 0 CEAERO C[NH2+][C@H](c1cncc(F)c1)[C@H]1CSCCS1 ZINC000086985062 179373692 /nfs/dbraw/zinc/37/36/92/179373692.db2.gz KRJCJUIYFDNRNS-GHMZBOCLSA-N 1 0 258.387 2.330 10 0 CEAERO CC(C)(C)[C@H]1CCC[C@@](CO)(N2CC[NH2+]CC2)CC1 ZINC000086962037 179369702 /nfs/dbraw/zinc/36/97/02/179369702.db2.gz JDUWGYMWLSZFIR-GOEBONIOSA-N 1 0 268.445 2.249 10 0 CEAERO C[NH2+][C@H]1CC(C)(C)Cc2nc(CCCOC)ncc21 ZINC000086971277 179370738 /nfs/dbraw/zinc/37/07/38/179370738.db2.gz WPPLHTRCICZWGK-LBPRGKRZSA-N 1 0 263.385 2.289 10 0 CEAERO C[C@H]1SCCC[C@]1(CO)[NH2+]Cc1cccs1 ZINC000086968901 179370757 /nfs/dbraw/zinc/37/07/57/179370757.db2.gz YWQRXDATWZPHNF-ZYHUDNBSSA-N 1 0 257.424 2.484 10 0 CEAERO CCS(=O)(=O)CCCOc1ccc(C[NH2+]C(C)C)cc1 ZINC000086972704 179371183 /nfs/dbraw/zinc/37/11/83/179371183.db2.gz BTDALXZGVGZXSZ-UHFFFAOYSA-N 1 0 299.436 2.388 10 0 CEAERO CCS(=O)(=O)CCC[NH2+][C@H](C)Cc1ccccc1 ZINC000086974429 179371610 /nfs/dbraw/zinc/37/16/10/179371610.db2.gz XSHNIJCWVFBBNQ-CYBMUJFWSA-N 1 0 269.410 2.032 10 0 CEAERO CC[C@@]([NH3+])(CCCS(=O)(=O)CC)c1ccccc1 ZINC000086977398 179371905 /nfs/dbraw/zinc/37/19/05/179371905.db2.gz QHMZETVHBHTWSM-CQSZACIVSA-N 1 0 269.410 2.466 10 0 CEAERO CCC[NH2+][C@@H]1CCC[C@@H]1CCCS(=O)(=O)CC ZINC000086976279 179372088 /nfs/dbraw/zinc/37/20/88/179372088.db2.gz UQDLGSYPZWUOCD-CHWSQXEVSA-N 1 0 261.431 2.370 10 0 CEAERO CCC(O)(CC)C[NH2+]C[C@H](O)CO[C@H]1CCCC[C@@H]1C ZINC000087028352 179382019 /nfs/dbraw/zinc/38/20/19/179382019.db2.gz VZBWYMYEECYOOU-KKUMJFAQSA-N 1 0 287.444 2.083 10 0 CEAERO CCC(O)(CC)C[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000087014138 179380099 /nfs/dbraw/zinc/38/00/99/179380099.db2.gz KCRWDJBXZNMYSS-INIZCTEOSA-N 1 0 276.424 2.402 10 0 CEAERO Cn1ccnc1[C@@H]([NH2+]CC1(O)CCCC1)c1cccs1 ZINC000087016587 179380682 /nfs/dbraw/zinc/38/06/82/179380682.db2.gz LFXFCRZJVKWHJQ-ZDUSSCGKSA-N 1 0 291.420 2.466 10 0 CEAERO COc1cccc(N(C)c2cccc(C(N)=[NH2+])c2)n1 ZINC000104108120 185896245 /nfs/dbraw/zinc/89/62/45/185896245.db2.gz JFMRDFDVTBXFBG-UHFFFAOYSA-N 1 0 256.309 2.142 10 0 CEAERO C[NH2+][C@@H](CCc1ccsc1)[C@@H]1CSCCO1 ZINC000086988803 179374487 /nfs/dbraw/zinc/37/44/87/179374487.db2.gz PGJIIZHOXCEVTD-RYUDHWBXSA-N 1 0 257.424 2.401 10 0 CEAERO CCC[NH2+]Cc1csc([C@@H]2CSCCO2)n1 ZINC000086989913 179374518 /nfs/dbraw/zinc/37/45/18/179374518.db2.gz QJXZIJURSZEJLF-JTQLQIEISA-N 1 0 258.412 2.447 10 0 CEAERO [NH3+][C@@H](Cc1ccccc1Cl)[C@H]1CSCCO1 ZINC000086987595 179374707 /nfs/dbraw/zinc/37/47/07/179374707.db2.gz HBAMAFLLDFOZEY-NWDGAFQWSA-N 1 0 257.786 2.342 10 0 CEAERO CCc1ccc(C[C@H]([NH3+])[C@H]2CSCCO2)s1 ZINC000086987940 179374725 /nfs/dbraw/zinc/37/47/25/179374725.db2.gz AKNORABLRPFWQL-NWDGAFQWSA-N 1 0 257.424 2.312 10 0 CEAERO CCCN1CCO[C@@H](C[NH2+]C)[C@@H]1c1ccc(OC)c(F)c1 ZINC000086995041 179376075 /nfs/dbraw/zinc/37/60/75/179376075.db2.gz YBTSGEWDPMMUIJ-HOTGVXAUSA-N 1 0 296.386 2.206 10 0 CEAERO C[C@H](NC(=O)c1c(F)cc(F)cc1F)[C@@H]1CCCC[NH2+]1 ZINC000086996387 179376747 /nfs/dbraw/zinc/37/67/47/179376747.db2.gz AFZGGJDDFVFTQZ-UFBFGSQYSA-N 1 0 286.297 2.364 10 0 CEAERO C[C@@H]1CCCN(C(=O)c2c(F)cc(F)cc2F)[C@@H]1C[NH3+] ZINC000086998038 179378181 /nfs/dbraw/zinc/37/81/81/179378181.db2.gz VURFBUBVNZLBCZ-PRHODGIISA-N 1 0 286.297 2.303 10 0 CEAERO CS(=O)(=O)c1ccc([C@@H]2C[NH2+]CC3(CCCC3)O2)cc1 ZINC000087007792 179378709 /nfs/dbraw/zinc/37/87/09/179378709.db2.gz GLMBRANIRCHSTO-AWEZNQCLSA-N 1 0 295.404 2.064 10 0 CEAERO CCC[NH2+][C@H](CSCC)Cc1cnccc1N ZINC000087106222 179394555 /nfs/dbraw/zinc/39/45/55/179394555.db2.gz VCRPSSNZKVMJRB-LBPRGKRZSA-N 1 0 253.415 2.328 10 0 CEAERO CC1(C)CCC(O)(C[NH2+]C[C@H](O)c2ccco2)CC1 ZINC000087063587 179390126 /nfs/dbraw/zinc/39/01/26/179390126.db2.gz IYUHCGZGJIVYJW-LBPRGKRZSA-N 1 0 267.369 2.234 10 0 CEAERO CCC[NH2+][C@@H](CCCS(C)(=O)=O)CSCCC ZINC000087107957 179395743 /nfs/dbraw/zinc/39/57/43/179395743.db2.gz VPEWOJVKTCZICM-LBPRGKRZSA-N 1 0 281.487 2.323 10 0 CEAERO CC1CCC(O)(CNC(=[NH2+])NC2CCCCC2)CC1 ZINC000087076021 179392275 /nfs/dbraw/zinc/39/22/75/179392275.db2.gz HBHVRPNVVAAING-UHFFFAOYSA-N 1 0 267.417 2.374 10 0 CEAERO C[NH2+][C@@H](CSC(C)(C)C)Cc1cccnc1N ZINC000087117341 179395761 /nfs/dbraw/zinc/39/57/61/179395761.db2.gz OFMLEWOYSLMHRD-LLVKDONJSA-N 1 0 253.415 2.326 10 0 CEAERO O=C(C[NH2+]CC1(O)CCCCCC1)Nc1ccccc1F ZINC000087089351 179393616 /nfs/dbraw/zinc/39/36/16/179393616.db2.gz QWDQOTDPCGUOHQ-UHFFFAOYSA-N 1 0 294.370 2.439 10 0 CEAERO C[NH2+][C@@H](C)CCc1nc(CSCC(C)C)no1 ZINC000087126301 179396395 /nfs/dbraw/zinc/39/63/95/179396395.db2.gz WEPLYIWHVZDYQK-JTQLQIEISA-N 1 0 257.403 2.499 10 0 CEAERO CS(=O)(=O)CCC[C@H]([NH3+])CSC1CCCCC1 ZINC000087149120 179397258 /nfs/dbraw/zinc/39/72/58/179397258.db2.gz FIRIPGQLYLPMKY-NSHDSACASA-N 1 0 279.471 2.204 10 0 CEAERO CCS(=O)(=O)CCC[C@@H](CSC1CCCC1)[NH2+]C ZINC000087144613 179397565 /nfs/dbraw/zinc/39/75/65/179397565.db2.gz COFHQLLUBBYGSZ-LBPRGKRZSA-N 1 0 293.498 2.465 10 0 CEAERO COc1c(C)c[nH+]c(C[C@@H](O)C2CCOCC2)c1C ZINC000087180985 179399394 /nfs/dbraw/zinc/39/93/94/179399394.db2.gz SHLPLAIKVKGXDH-CQSZACIVSA-N 1 0 265.353 2.037 10 0 CEAERO CSC[C@@H](C)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000066829126 362887723 /nfs/dbraw/zinc/88/77/23/362887723.db2.gz BJTKXUMPIUXXEO-VXGBXAGGSA-N 1 0 260.447 2.078 10 0 CEAERO [NH3+]C[C@H](c1ccccc1)[C@H](O)c1ccc2c(c1)OCCO2 ZINC000087349665 179415180 /nfs/dbraw/zinc/41/51/80/179415180.db2.gz PHWLIDWBPBHRDN-RHSMWYFYSA-N 1 0 285.343 2.234 10 0 CEAERO [NH3+]C[C@@H](c1cccs1)[C@@H](O)c1ccc2c(c1)OCCO2 ZINC000087374128 179417025 /nfs/dbraw/zinc/41/70/25/179417025.db2.gz DWWARIGLXURQCG-NHYWBVRUSA-N 1 0 291.372 2.295 10 0 CEAERO C[NH2+]CCCc1nnc(-c2snnc2C(C)(C)C)o1 ZINC000087457173 179428485 /nfs/dbraw/zinc/42/84/85/179428485.db2.gz KYAUVCNVSYSEEB-UHFFFAOYSA-N 1 0 281.385 2.038 10 0 CEAERO Cn1ccc(-c2noc(CC[C@H](CC[NH3+])C(C)(C)C)n2)n1 ZINC000087412992 179422190 /nfs/dbraw/zinc/42/21/90/179422190.db2.gz FRPFTYQJLVVCHM-LLVKDONJSA-N 1 0 291.399 2.414 10 0 CEAERO CC[C@H](C[NH3+])c1nc(Cc2ccccc2OC)no1 ZINC000087499352 179435678 /nfs/dbraw/zinc/43/56/78/179435678.db2.gz RDXHCCOAMLLDLP-SNVBAGLBSA-N 1 0 261.325 2.121 10 0 CEAERO CCN(C[C@@H](C)C[NH3+])c1nc(C(C)(C)C)ns1 ZINC000087639680 179460908 /nfs/dbraw/zinc/46/09/08/179460908.db2.gz WTRDOIXIJBDJTO-VIFPVBQESA-N 1 0 256.419 2.257 10 0 CEAERO CCCc1nsc(N[C@@H](C)[C@H]2CCC[NH2+]C2)n1 ZINC000087642479 179462409 /nfs/dbraw/zinc/46/24/09/179462409.db2.gz DIFNMZSUUHWKQH-UWVGGRQHSA-N 1 0 254.403 2.291 10 0 CEAERO CCc1nsc(N2CCC(C[NH2+]C3CC3)CC2)n1 ZINC000087643669 179463032 /nfs/dbraw/zinc/46/30/32/179463032.db2.gz CDJCPKBWOFBUFK-UHFFFAOYSA-N 1 0 266.414 2.069 10 0 CEAERO CC[NH2+][C@@H](Cc1nc([C@@H]2CCOC2)no1)C(C)(C)C ZINC000087809907 179489668 /nfs/dbraw/zinc/48/96/68/179489668.db2.gz OCYGCMRINSUQKO-MNOVXSKESA-N 1 0 267.373 2.140 10 0 CEAERO C[C@H]([NH3+])CCC[C@H](C)C(=O)NCCc1ccco1 ZINC000087684513 179470283 /nfs/dbraw/zinc/47/02/83/179470283.db2.gz ZIIBZTYKECFCDB-RYUDHWBXSA-N 1 0 252.358 2.092 10 0 CEAERO C[C@H]([NH3+])CCC[C@H](C)C(=O)N(C)Cc1ccoc1 ZINC000087699846 179472806 /nfs/dbraw/zinc/47/28/06/179472806.db2.gz OEFDEVQSTHBRSW-RYUDHWBXSA-N 1 0 252.358 2.392 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CN3CCC2CC3)C12CCC2 ZINC000087708803 179474692 /nfs/dbraw/zinc/47/46/92/179474692.db2.gz BSAGOZDEEYWEEI-RBSFLKMASA-N 1 0 264.413 2.018 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]CCC(=O)N(CC)CC)C12CCC2 ZINC000087710236 179475392 /nfs/dbraw/zinc/47/53/92/179475392.db2.gz QLEOTDHYFMJSAC-UONOGXRCSA-N 1 0 282.428 2.182 10 0 CEAERO CC(C)Oc1ccc([C@@H]([NH3+])CC(C)(C)C(N)=O)cc1 ZINC000087722046 179477445 /nfs/dbraw/zinc/47/74/45/179477445.db2.gz XLNZRGQKRAGNER-ZDUSSCGKSA-N 1 0 264.369 2.375 10 0 CEAERO COc1ccc(Cl)cc1C[C@H]([NH3+])[C@H]1CCCO1 ZINC000087802010 179487961 /nfs/dbraw/zinc/48/79/61/179487961.db2.gz YDRNJSGNEODRGH-WCQYABFASA-N 1 0 255.745 2.397 10 0 CEAERO C[NH2+][C@@H](Cc1ccn(C2CCCC2)n1)[C@@H]1CCCO1 ZINC000087802196 179488325 /nfs/dbraw/zinc/48/83/25/179488325.db2.gz BNALQOFXWYXHAM-GJZGRUSLSA-N 1 0 263.385 2.308 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 ZINC000087516878 179438386 /nfs/dbraw/zinc/43/83/86/179438386.db2.gz OQRHEYPGDGIRAP-QMMMGPOBSA-N 1 0 284.743 2.050 10 0 CEAERO CCOCc1ccccc1NC(=O)[C@@H](C[NH3+])C(C)C ZINC000087516152 179438631 /nfs/dbraw/zinc/43/86/31/179438631.db2.gz VZXYIJPHEFMXNU-ZDUSSCGKSA-N 1 0 264.369 2.393 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)Nc1cc(C(=O)N(C)C)ccc1C ZINC000087519117 179438929 /nfs/dbraw/zinc/43/89/29/179438929.db2.gz YBFHIIGFDDXGEJ-ZDUSSCGKSA-N 1 0 291.395 2.010 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)N[C@H](C)c1c(F)cccc1F ZINC000087523144 179440167 /nfs/dbraw/zinc/44/01/67/179440167.db2.gz HGKVKBZNCAFXPJ-BDAKNGLRSA-N 1 0 256.296 2.127 10 0 CEAERO COc1ccc(CN(C)C(=O)[C@H](C[NH3+])C(C)C)cc1F ZINC000087523010 179440199 /nfs/dbraw/zinc/44/01/99/179440199.db2.gz WJWSSCUSYCVVNV-GFCCVEGCSA-N 1 0 282.359 2.024 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N(C)CCOc1ccccc1F ZINC000087524868 179440655 /nfs/dbraw/zinc/44/06/55/179440655.db2.gz BRIQVVFZGAMMKH-GFCCVEGCSA-N 1 0 282.359 2.038 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N1CCC[C@H]1c1cc(C)no1 ZINC000087527256 179441315 /nfs/dbraw/zinc/44/13/15/179441315.db2.gz MQZGHTWTISZZRP-NEPJUHHUSA-N 1 0 265.357 2.022 10 0 CEAERO C[NH2+][C@@H](Cc1ccc(OC)c(F)c1)[C@H]1CCOC1 ZINC000087804492 179488950 /nfs/dbraw/zinc/48/89/50/179488950.db2.gz UZFXNYXWDPUDOT-AAEUAGOBSA-N 1 0 253.317 2.001 10 0 CEAERO CCCOc1ccc([C@@H](CC(=O)OC)[NH2+]C)cc1 ZINC000087552863 179445387 /nfs/dbraw/zinc/44/53/87/179445387.db2.gz DGEJPDKKQKGJEX-CYBMUJFWSA-N 1 0 251.326 2.299 10 0 CEAERO Cc1cc(CNC(=O)[C@H](C[NH3+])C(C)C)sc1C ZINC000087578260 179450206 /nfs/dbraw/zinc/45/02/06/179450206.db2.gz BHFOFNAWKLBFGD-GFCCVEGCSA-N 1 0 254.399 2.212 10 0 CEAERO CCCc1nc(N(CC)CC(C)C)cc(NN)[nH+]1 ZINC000087907947 179517081 /nfs/dbraw/zinc/51/70/81/179517081.db2.gz SBQDHZHGDKKZTL-UHFFFAOYSA-N 1 0 251.378 2.197 10 0 CEAERO CC(C)c1nc(NC[C@@H]2CCCS2)cc(NN)[nH+]1 ZINC000087909951 179517629 /nfs/dbraw/zinc/51/76/29/179517629.db2.gz CTAAIWSZQRYHMJ-VIFPVBQESA-N 1 0 267.402 2.193 10 0 CEAERO [NH3+]CCN1CCCC[C@H](c2cc3ccccc3nn2)C1 ZINC000616630065 348540239 /nfs/dbraw/zinc/54/02/39/348540239.db2.gz YGXQLGCKXDWEEH-AWEZNQCLSA-N 1 0 270.380 2.158 10 0 CEAERO C[NH2+][C@@H](Cc1ccc(OC)c(F)c1)[C@@H]1CCCOC1 ZINC000087814176 179491234 /nfs/dbraw/zinc/49/12/34/179491234.db2.gz DFOVNHPZVWDVSZ-OCCSQVGLSA-N 1 0 267.344 2.391 10 0 CEAERO CCC[NH2+][C@@H](c1c(C)ccnc1N)[C@@H]1CCCOC1 ZINC000087814915 179491258 /nfs/dbraw/zinc/49/12/58/179491258.db2.gz OZGZUBURYOJEMN-TZMCWYRMSA-N 1 0 263.385 2.440 10 0 CEAERO [NH3+]CCc1ccccc1-c1nc([C@H]2CCCOC2)no1 ZINC000087813745 179491361 /nfs/dbraw/zinc/49/13/61/179491361.db2.gz ARRKKUPBCDMEJQ-LBPRGKRZSA-N 1 0 273.336 2.132 10 0 CEAERO CC(C)(C)[N@@H+]1CCOCC[C@@H]1c1ccccc1C(N)=O ZINC000616655989 348549848 /nfs/dbraw/zinc/54/98/48/348549848.db2.gz OZZIFDHNWIIWAM-CQSZACIVSA-N 1 0 276.380 2.347 10 0 CEAERO CC[C@@H]1CCN(C(=O)/C=C\c2ccccc2)C[C@H]1[NH3+] ZINC000616570053 348523453 /nfs/dbraw/zinc/52/34/53/348523453.db2.gz LNTRKMZPXHDNDI-SFRZCGLPSA-N 1 0 258.365 2.286 10 0 CEAERO CC[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(C)(C)c1ccccc1 ZINC000616569987 348523461 /nfs/dbraw/zinc/52/34/61/348523461.db2.gz LEGXXGCAANQNRA-HIFRSBDPSA-N 1 0 274.408 2.469 10 0 CEAERO C[NH2+]C[C@@H]1CC[C@H]1Cc1c(Br)c(C)nn1C ZINC000087954548 179529118 /nfs/dbraw/zinc/52/91/18/179529118.db2.gz FAPITCIAKLWRBT-UWVGGRQHSA-N 1 0 286.217 2.279 10 0 CEAERO CC1(C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccccc2)CC1 ZINC000616571249 348524393 /nfs/dbraw/zinc/52/43/93/348524393.db2.gz QCGMGUXHOBXDQW-KBPBESRZSA-N 1 0 258.365 2.048 10 0 CEAERO CC(C)=CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000616572949 348524445 /nfs/dbraw/zinc/52/44/45/348524445.db2.gz XTBIRXGZWYUWAW-HUUCEWRRSA-N 1 0 276.355 2.354 10 0 CEAERO NC(=O)c1cccc([C@@H]2[NH2+]CCc3ccccc32)c1 ZINC000616585379 348526807 /nfs/dbraw/zinc/52/68/07/348526807.db2.gz BHLZGYWJMLBEPP-HNNXBMFYSA-N 1 0 252.317 2.021 10 0 CEAERO [NH3+]CCN1CCO[C@@H](c2ccccc2Cl)CC1 ZINC000616594319 348528502 /nfs/dbraw/zinc/52/85/02/348528502.db2.gz FHRZWMSHTBGPGZ-CYBMUJFWSA-N 1 0 254.761 2.062 10 0 CEAERO CC[C@@H]1CCOCC[N@@H+]1CCNC(=O)OC(C)(C)C ZINC000616598093 348529304 /nfs/dbraw/zinc/52/93/04/348529304.db2.gz NYUDAGGQUVZMTP-GFCCVEGCSA-N 1 0 272.389 2.012 10 0 CEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H](F)CC1 ZINC000616601226 348530815 /nfs/dbraw/zinc/53/08/15/348530815.db2.gz MITBFEFWUYTBGL-LLVKDONJSA-N 1 0 260.353 2.335 10 0 CEAERO OCC[N@@H+]1CCC[C@@H](c2ccnc3ccccc32)C1 ZINC000616609280 348533334 /nfs/dbraw/zinc/53/33/34/348533334.db2.gz OSNZCZZEKSTBAP-CYBMUJFWSA-N 1 0 256.349 2.407 10 0 CEAERO CCOC(=O)c1cccc([C@H]2CCC[N@H+](CCO)C2)c1 ZINC000616617748 348535513 /nfs/dbraw/zinc/53/55/13/348535513.db2.gz IXYHCAHVFAMFOP-HNNXBMFYSA-N 1 0 277.364 2.035 10 0 CEAERO OCC[NH+]1CCC(c2cnc3ccccc3c2)CC1 ZINC000616619084 348536349 /nfs/dbraw/zinc/53/63/49/348536349.db2.gz BLXOWOQWCJWTSJ-UHFFFAOYSA-N 1 0 256.349 2.407 10 0 CEAERO OCC[NH+]1CCC(c2cccc3ncccc32)CC1 ZINC000616619543 348536600 /nfs/dbraw/zinc/53/66/00/348536600.db2.gz MXHMQGGRBFRNMX-UHFFFAOYSA-N 1 0 256.349 2.407 10 0 CEAERO CCc1ccsc1CNc1cc(C)[nH+]c(NN)n1 ZINC000087895443 179515960 /nfs/dbraw/zinc/51/59/60/179515960.db2.gz PBBHCUXJWYMYSU-UHFFFAOYSA-N 1 0 263.370 2.307 10 0 CEAERO CC(C)(C)OC(=O)NCC[C@@H]1CCCCCN1CC[NH3+] ZINC000616625657 348538676 /nfs/dbraw/zinc/53/86/76/348538676.db2.gz SIZMSJBIPFJSGL-ZDUSSCGKSA-N 1 0 285.432 2.105 10 0 CEAERO C[NH2+][C@H](Cc1cnn(C)c1)[C@@H]1CCc2ccccc2C1 ZINC000088033568 179537401 /nfs/dbraw/zinc/53/74/01/179537401.db2.gz QETQDEVRRRJKQA-IAGOWNOFSA-N 1 0 269.392 2.356 10 0 CEAERO CCOC(=O)CC1([NH+]2CCN(C)CC2)C[C@@H](C)C[C@H](C)C1 ZINC000088046086 179539896 /nfs/dbraw/zinc/53/98/96/179539896.db2.gz NMTIUAOUNGNATI-GJZGRUSLSA-N 1 0 296.455 2.382 10 0 CEAERO C[C@H]([NH3+])C[S@@](=O)Cc1ccc(Br)cc1 ZINC000088069416 179544263 /nfs/dbraw/zinc/54/42/63/179544263.db2.gz QFXLIJMETHUYEX-RTHLEPHNSA-N 1 0 276.199 2.045 10 0 CEAERO C[C@H](C[NH3+])C[S@@](=O)Cc1ccc(F)cc1Cl ZINC000088089205 179546924 /nfs/dbraw/zinc/54/69/24/179546924.db2.gz POQWSNKJHQXVIN-BCTVWOGZSA-N 1 0 263.765 2.323 10 0 CEAERO CC[NH2+]C[C@H](CCOCCOC)c1ccccc1 ZINC000088097801 179547457 /nfs/dbraw/zinc/54/74/57/179547457.db2.gz MRYQFVRNFLEJGS-HNNXBMFYSA-N 1 0 251.370 2.433 10 0 CEAERO [NH3+][C@@H](CCc1ccc2c(c1)CCO2)C[C@H]1CCCO1 ZINC000088104737 179549631 /nfs/dbraw/zinc/54/96/31/179549631.db2.gz PCOZPARMWBKDGI-LSDHHAIUSA-N 1 0 261.365 2.451 10 0 CEAERO [NH3+]C[C@@H]1CCN(c2c3nsnc3ccc2Cl)C1 ZINC000088120761 179552308 /nfs/dbraw/zinc/55/23/08/179552308.db2.gz HLRFPARSDZERLD-ZETCQYMHSA-N 1 0 268.773 2.130 10 0 CEAERO CC(C)([NH3+])CC(=O)Nc1c2nsnc2ccc1Cl ZINC000088126439 179553093 /nfs/dbraw/zinc/55/30/93/179553093.db2.gz CCELSMSHWLLCHW-UHFFFAOYSA-N 1 0 284.772 2.411 10 0 CEAERO COc1cc(CC[NH3+])cc(OC)c1OCC1CCC1 ZINC000088135189 179554372 /nfs/dbraw/zinc/55/43/72/179554372.db2.gz BALWWVULLYBZPI-UHFFFAOYSA-N 1 0 265.353 2.384 10 0 CEAERO CN(C)C(=O)CCCOc1cccc2c1CCC[C@H]2[NH3+] ZINC000088150821 179557371 /nfs/dbraw/zinc/55/73/71/179557371.db2.gz PBQCNEVCJJUXIU-CQSZACIVSA-N 1 0 276.380 2.270 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)Nc1c(C)ccnc1Cl ZINC000088189033 179561961 /nfs/dbraw/zinc/56/19/61/179561961.db2.gz RRXKLXJHMIPSPE-VIFPVBQESA-N 1 0 255.749 2.357 10 0 CEAERO CC(C)[C@H]1CC[N@H+](CCNC(=O)OC(C)(C)C)CCO1 ZINC000616666051 348554303 /nfs/dbraw/zinc/55/43/03/348554303.db2.gz DSSGRWZCSSUXFG-CYBMUJFWSA-N 1 0 286.416 2.258 10 0 CEAERO OCCc1ccc([C@@H]2c3ccccc3CC[N@H+]2CCO)cc1 ZINC000616679856 348558978 /nfs/dbraw/zinc/55/89/78/348558978.db2.gz ZHCQELHGBXTZQW-LJQANCHMSA-N 1 0 297.398 2.161 10 0 CEAERO [NH3+]CCN1C[C@H](c2ccncc2)Nc2ccccc21 ZINC000616686240 348560514 /nfs/dbraw/zinc/56/05/14/348560514.db2.gz ZCGJEPAYCJFNPK-CQSZACIVSA-N 1 0 254.337 2.014 10 0 CEAERO CC[N@@H+]1CCO[C@H](c2cnnc3ccccc32)CC1 ZINC000616686995 348561047 /nfs/dbraw/zinc/56/10/47/348561047.db2.gz OZEDNLDKFKIWGO-HNNXBMFYSA-N 1 0 257.337 2.413 10 0 CEAERO COCCN(C(=O)C[C@H](C[NH3+])CC(C)C)[C@@H](C)C1CC1 ZINC000088277305 179574406 /nfs/dbraw/zinc/57/44/06/179574406.db2.gz UJYNQCLUIKYBGE-UONOGXRCSA-N 1 0 284.444 2.271 10 0 CEAERO CC[C@H](C[NH3+])Cc1nc2cc(Br)cnc2[nH]1 ZINC000087981144 179531058 /nfs/dbraw/zinc/53/10/58/179531058.db2.gz OXJZPXUOOMNZEW-ZETCQYMHSA-N 1 0 283.173 2.248 10 0 CEAERO COc1ccc(OCC[N@H+](C)[C@@H](C)CC(N)=S)cc1 ZINC000088402026 179593800 /nfs/dbraw/zinc/59/38/00/179593800.db2.gz LDPDEPKOZSRCBJ-NSHDSACASA-N 1 0 282.409 2.071 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N1CCC(C(F)(F)F)CC1 ZINC000088420912 179597826 /nfs/dbraw/zinc/59/78/26/179597826.db2.gz LLMBRWTVBKHADW-VIFPVBQESA-N 1 0 266.307 2.033 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H](C(=O)N(C)Cc2cccc(F)c2)C1 ZINC000088449770 179605700 /nfs/dbraw/zinc/60/57/00/179605700.db2.gz KZSMDZNJNYAPFK-YPMHNXCESA-N 1 0 264.344 2.030 10 0 CEAERO Cc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H](C)C2)cc1F ZINC000088449635 179605880 /nfs/dbraw/zinc/60/58/80/179605880.db2.gz FJKSXFJZYJMUIZ-KOLCDFICSA-N 1 0 250.317 2.318 10 0 CEAERO C[C@@H](O)c1c(F)cccc1N(C)CCC[NH+](C)C ZINC000104193465 185924046 /nfs/dbraw/zinc/92/40/46/185924046.db2.gz FRSGBDHITMIHCV-LLVKDONJSA-N 1 0 254.349 2.267 10 0 CEAERO CCC[NH2+][C@@H](CCC)Cn1c(=O)oc2cccnc21 ZINC000088396899 179591043 /nfs/dbraw/zinc/59/10/43/179591043.db2.gz WRZBPYUTAYOCKO-NSHDSACASA-N 1 0 263.341 2.158 10 0 CEAERO [NH3+][C@@H](Cc1ccccc1)[C@H](O)CSc1ccccc1O ZINC000088398522 179591851 /nfs/dbraw/zinc/59/18/51/179591851.db2.gz BNANCFMMVXNTKT-DZGCQCFKSA-N 1 0 289.400 2.415 10 0 CEAERO CC(C)n1ncnc1CO[C@@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000088584944 179630742 /nfs/dbraw/zinc/63/07/42/179630742.db2.gz XIHVFUQCGDIIRA-OCCSQVGLSA-N 1 0 266.389 2.283 10 0 CEAERO CC[C@@H](C)[C@@H]1C[NH2+]C(CC)(CC)CN1Cc1ncnn1C ZINC000088584109 179630805 /nfs/dbraw/zinc/63/08/05/179630805.db2.gz HAIKUESHODYRNE-KGLIPLIRSA-N 1 0 293.459 2.194 10 0 CEAERO CC[NH2+][C@H]1CCC[C@H]1Cc1ncnn1CC(C)C ZINC000088597560 179633358 /nfs/dbraw/zinc/63/33/58/179633358.db2.gz HXMKRQLSMQTLGE-STQMWFEESA-N 1 0 250.390 2.255 10 0 CEAERO CCn1ncnc1C[C@H]([NH3+])c1cccc(Br)c1 ZINC000088610175 179637840 /nfs/dbraw/zinc/63/78/40/179637840.db2.gz ZCBDZRODEBSURD-NSHDSACASA-N 1 0 295.184 2.303 10 0 CEAERO CC[NH2+][C@H](Cc1ncnn1CC)c1ccccc1C ZINC000088610702 179638020 /nfs/dbraw/zinc/63/80/20/179638020.db2.gz GMWYKTUHSIQXEA-CQSZACIVSA-N 1 0 258.369 2.500 10 0 CEAERO CCC[NH2+][C@@H](Cc1ncnn1C(C)C)[C@H]1CCCOC1 ZINC000088613185 179639829 /nfs/dbraw/zinc/63/98/29/179639829.db2.gz NVPIPYBPFBFKDC-KBPBESRZSA-N 1 0 280.416 2.196 10 0 CEAERO CCCn1ncnc1C[C@@H]([NH3+])[C@@H]1CCc2ccccc21 ZINC000088616957 179639932 /nfs/dbraw/zinc/63/99/32/179639932.db2.gz SJYBIKOXNNFIHZ-HUUCEWRRSA-N 1 0 270.380 2.288 10 0 CEAERO CCCn1ncnc1COc1ccc(C[C@@H](C)[NH3+])cc1 ZINC000088617380 179640389 /nfs/dbraw/zinc/64/03/89/179640389.db2.gz AQSDRLFXHJCJJJ-GFCCVEGCSA-N 1 0 274.368 2.157 10 0 CEAERO CC(C)Cn1ncnc1C[C@@H](C[NH3+])c1ccccc1 ZINC000088621829 179641029 /nfs/dbraw/zinc/64/10/29/179641029.db2.gz SBWQBSVETTZUQI-AWEZNQCLSA-N 1 0 258.369 2.219 10 0 CEAERO CCC[C@](C)(C[NH2+]CCOC)Cc1ncnn1C(C)C ZINC000088621253 179641414 /nfs/dbraw/zinc/64/14/14/179641414.db2.gz OTMBIFAQNIXQOO-HNNXBMFYSA-N 1 0 282.432 2.444 10 0 CEAERO CC(C)n1ncnc1CN1CCC[NH2+][C@H](C(C)(C)C)C1 ZINC000088625866 179643082 /nfs/dbraw/zinc/64/30/82/179643082.db2.gz XLKZGPQKNJBVAS-ZDUSSCGKSA-N 1 0 279.432 2.069 10 0 CEAERO CC[NH2+][C@H](Cc1ccncc1)[C@H]1COc2ccccc2O1 ZINC000088531020 179618793 /nfs/dbraw/zinc/61/87/93/179618793.db2.gz BURSXPGXCRXBGW-RHSMWYFYSA-N 1 0 284.359 2.442 10 0 CEAERO CCC[NH2+][C@@H]1CCC[C@H]1c1nc(COCC)no1 ZINC000088739074 179661512 /nfs/dbraw/zinc/66/15/12/179661512.db2.gz JQBPZWUBTFPGJW-GHMZBOCLSA-N 1 0 253.346 2.242 10 0 CEAERO CCC[NH2+][C@H](CC)[C@@H](C)c1nc(COCC)no1 ZINC000088739121 179661647 /nfs/dbraw/zinc/66/16/47/179661647.db2.gz GXNWHGFVVYGSDH-GHMZBOCLSA-N 1 0 255.362 2.488 10 0 CEAERO CCc1nc(CC)n([C@H](C[NH3+])c2ccc(C)cc2)n1 ZINC000088739806 179661993 /nfs/dbraw/zinc/66/19/93/179661993.db2.gz FDLQVVVUDGFBEC-CYBMUJFWSA-N 1 0 258.369 2.259 10 0 CEAERO Cc1cccc(N(C)S(=O)(=O)[C@@H](C)C[NH2+]C(C)C)c1 ZINC000089021019 179691792 /nfs/dbraw/zinc/69/17/92/179691792.db2.gz DXOFUWJZLNMOOA-ZDUSSCGKSA-N 1 0 284.425 2.148 10 0 CEAERO Cc1ccc([C@@H](C)N(C)C(=O)[C@@H]2C[NH2+]C[C@@H]2C)cc1 ZINC000104222245 185935618 /nfs/dbraw/zinc/93/56/18/185935618.db2.gz BQOOOHZXBNHVAD-GZBFAFLISA-N 1 0 260.381 2.370 10 0 CEAERO CCCOc1cncc(N[C@@H]2CCCC[C@H]2C[NH3+])n1 ZINC000089108951 179704909 /nfs/dbraw/zinc/70/49/09/179704909.db2.gz YRMASHHMKKNNTH-NWDGAFQWSA-N 1 0 264.373 2.195 10 0 CEAERO CN(C(=O)c1ccc2c(c1)CCC2)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089110852 179706312 /nfs/dbraw/zinc/70/63/12/179706312.db2.gz TTWJIQJDHBIKOZ-JKSUJKDBSA-N 1 0 272.392 2.375 10 0 CEAERO CCC[NH2+]CCCCS(=O)(=O)N1CCCCC[C@H]1C ZINC000089046600 179693475 /nfs/dbraw/zinc/69/34/75/179693475.db2.gz QFDXXBOKORKZDV-CQSZACIVSA-N 1 0 290.473 2.361 10 0 CEAERO COCCOc1ccc(N[C@H]2CCCC[C@@H]2C[NH3+])cn1 ZINC000089142095 179720764 /nfs/dbraw/zinc/72/07/64/179720764.db2.gz SHINLJXYIVADCQ-OCCSQVGLSA-N 1 0 279.384 2.036 10 0 CEAERO CNC(=O)c1ccc(N[C@@H]2CCCC[C@@H]2C[NH3+])c(C)c1 ZINC000089144000 179721364 /nfs/dbraw/zinc/72/13/64/179721364.db2.gz HDXIGKBYNCGVGE-UKRRQHHQSA-N 1 0 275.396 2.284 10 0 CEAERO CCCc1nnsc1C(=O)N(C)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089119434 179711739 /nfs/dbraw/zinc/71/17/39/179711739.db2.gz ZZYUCBAXFISAFJ-CMPLNLGQSA-N 1 0 296.440 2.080 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1Nc1ccc2c(c1)NC(=O)CS2 ZINC000089149108 179724855 /nfs/dbraw/zinc/72/48/55/179724855.db2.gz BNVXWSMRRCJCHG-GXSJLCMTSA-N 1 0 277.393 2.270 10 0 CEAERO Cn1nc(COC[C@H]2CCCC[NH2+]2)c2ccccc21 ZINC000089175140 179740322 /nfs/dbraw/zinc/74/03/22/179740322.db2.gz BMPYIKMBYBRXGT-GFCCVEGCSA-N 1 0 259.353 2.232 10 0 CEAERO CC[C@@H]1CN(Cc2cc(C)nn2CC)[C@@H](CC)C[NH2+]1 ZINC000089188608 179748647 /nfs/dbraw/zinc/74/86/47/179748647.db2.gz BVDKZNBXCSAHIK-KGLIPLIRSA-N 1 0 264.417 2.174 10 0 CEAERO CCn1nc(C[C@]2(C[NH2+]C)CCOC2)c2ccccc21 ZINC000089179119 179743601 /nfs/dbraw/zinc/74/36/01/179743601.db2.gz XAQVUDYUMCSTJB-INIZCTEOSA-N 1 0 273.380 2.225 10 0 CEAERO COc1cc(C[NH3+])cc(Cl)c1OCc1cc(C)nn1C ZINC000089181191 179744984 /nfs/dbraw/zinc/74/49/84/179744984.db2.gz HQSPQCVOIIWPNS-UHFFFAOYSA-N 1 0 295.770 2.428 10 0 CEAERO C[C@@H](NCc1cnn(Cc2ccccc2)c1)[C@H]1CC[NH2+]C1 ZINC000400440244 233178617 /nfs/dbraw/zinc/17/86/17/233178617.db2.gz MFCTZYWUHDVTRK-PBHICJAKSA-N 1 0 284.407 2.019 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)N1CCCc2ccccc2C1 ZINC000089462192 539719229 /nfs/dbraw/zinc/71/92/29/539719229.db2.gz NVNKMDVBIDAVFE-ZBFHGGJFSA-N 1 0 272.392 2.336 10 0 CEAERO CC[NH2+][C@@H](Cc1csc(C)n1)c1ccn(C)n1 ZINC000089252134 179760677 /nfs/dbraw/zinc/76/06/77/179760677.db2.gz GWNAFHXBQNUUIM-LBPRGKRZSA-N 1 0 250.371 2.078 10 0 CEAERO CCC[NH2+]Cc1ccnn1Cc1c(Cl)c(C)nn1C ZINC000089256992 179761425 /nfs/dbraw/zinc/76/14/25/179761425.db2.gz JRRSAFHRDJUXIF-UHFFFAOYSA-N 1 0 281.791 2.126 10 0 CEAERO CCC[NH2+][C@@H](Cc1cc(C)nn1C)Cc1cccnc1 ZINC000089194174 179749733 /nfs/dbraw/zinc/74/97/33/179749733.db2.gz QVACIKKODSJJJC-OAHLLOKOSA-N 1 0 272.396 2.277 10 0 CEAERO CCc1cc(C[C@H]([NH2+]C)c2ccncc2)n(CC)n1 ZINC000089193027 179750068 /nfs/dbraw/zinc/75/00/68/179750068.db2.gz MMZOWJFARJKFTG-HNNXBMFYSA-N 1 0 258.369 2.364 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1cc(F)cc(F)c1 ZINC000089449709 539715908 /nfs/dbraw/zinc/71/59/08/539715908.db2.gz RZKYHNLRBQAFEG-PELKAZGASA-N 1 0 254.280 2.278 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000089453739 539716626 /nfs/dbraw/zinc/71/66/26/539716626.db2.gz BCAAQYIMJQGVPA-OCCSQVGLSA-N 1 0 284.363 2.390 10 0 CEAERO Cc1cc(C[C@H](C[NH3+])Cc2cccc(C)c2)n(C)n1 ZINC000089205506 179753342 /nfs/dbraw/zinc/75/33/42/179753342.db2.gz JYFDATJKEKXXFZ-OAHLLOKOSA-N 1 0 257.381 2.397 10 0 CEAERO Cc1ccc(OCCN(C)C(=O)[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089455674 539717305 /nfs/dbraw/zinc/71/73/05/539717305.db2.gz VPWFYSZYHJPYRM-ZBFHGGJFSA-N 1 0 290.407 2.207 10 0 CEAERO CCC[C@H]1CN(Cc2cc(C)nn2C)[C@@](C)(C2CC2)C[NH2+]1 ZINC000089209211 179754558 /nfs/dbraw/zinc/75/45/58/179754558.db2.gz AFYNHJYSOGPSMG-DOTOQJQBSA-N 1 0 290.455 2.471 10 0 CEAERO CCC[C@H]1C[NH2+]C(C)(C)CN1Cc1cc(C)nn1C ZINC000089209427 179755354 /nfs/dbraw/zinc/75/53/54/179755354.db2.gz YOXQTIVQEIIVHS-ZDUSSCGKSA-N 1 0 264.417 2.081 10 0 CEAERO CN(C(=O)[C@H]1CCC[C@H]1C[NH3+])c1ccc(F)cc1 ZINC000089461173 539718875 /nfs/dbraw/zinc/71/88/75/539718875.db2.gz RBSGSBMXXYDBOX-GWCFXTLKSA-N 1 0 250.317 2.164 10 0 CEAERO Cc1cc(F)c(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1F ZINC000248582215 539721646 /nfs/dbraw/zinc/72/16/46/539721646.db2.gz FOABFWYPSBDWMH-CHIMOYNISA-N 1 0 280.318 2.083 10 0 CEAERO CC[C@@H](C)[C@@H]1C[NH2+]CCN1Cc1csc(C)n1 ZINC000089270261 179763389 /nfs/dbraw/zinc/76/33/89/179763389.db2.gz XDCSSVNGMXLYHF-MFKMUULPSA-N 1 0 253.415 2.271 10 0 CEAERO Cc1nn(C)c(CN2C[C@@H](C3CC3)[NH2+]CC2(C)C)c1Cl ZINC000089271208 179763443 /nfs/dbraw/zinc/76/34/43/179763443.db2.gz IKTYMSVGFZYNBX-LBPRGKRZSA-N 1 0 296.846 2.344 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21 ZINC000089386563 179777379 /nfs/dbraw/zinc/77/73/79/179777379.db2.gz PVMXCYALTJNONF-ZIAGYGMSSA-N 1 0 258.365 2.341 10 0 CEAERO Cc1cc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])ccc1F ZINC000089461775 179796515 /nfs/dbraw/zinc/79/65/15/179796515.db2.gz ZILAFXHGRAIUGL-JQWIXIFHSA-N 1 0 250.317 2.448 10 0 CEAERO CC(C)(CNC(=O)[C@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000089458086 179794465 /nfs/dbraw/zinc/79/44/65/179794465.db2.gz XIMXPKXYUMAKJD-HIFRSBDPSA-N 1 0 274.408 2.455 10 0 CEAERO CCn1cc(COC[C@@H]2CCCC[C@H]2C[NH3+])cn1 ZINC000089535399 179812541 /nfs/dbraw/zinc/81/25/41/179812541.db2.gz AIEVRXLIHAXEKG-KBPBESRZSA-N 1 0 251.374 2.185 10 0 CEAERO CCn1nc(CC2(O)CCC([NH3+])CC2)c2ccccc21 ZINC000089539324 179813859 /nfs/dbraw/zinc/81/38/59/179813859.db2.gz DMFXFQUJMLFGTN-UHFFFAOYSA-N 1 0 273.380 2.231 10 0 CEAERO Cn1nc(C[NH2+]C[C@@H]2CCC[C@@H]2CO)c2ccccc21 ZINC000089498509 179804291 /nfs/dbraw/zinc/80/42/91/179804291.db2.gz GWRTXQMVHDFDNZ-QWHCGFSZSA-N 1 0 273.380 2.072 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1CNC(=O)C1CCCCCC1 ZINC000089500656 179804919 /nfs/dbraw/zinc/80/49/19/179804919.db2.gz RAXFYTOCLBRRJX-KBPBESRZSA-N 1 0 252.402 2.448 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1CNC(=O)c1cccc(OC(F)F)c1 ZINC000089500579 179804951 /nfs/dbraw/zinc/80/49/51/179804951.db2.gz LOEWHDRDEBRNPO-VXGBXAGGSA-N 1 0 298.333 2.393 10 0 CEAERO OC[C@H]1CCCC[C@@H]1C[NH2+]CCOc1ccccc1 ZINC000089529544 179810419 /nfs/dbraw/zinc/81/04/19/179810419.db2.gz JYGGWGCYOBPDOR-HUUCEWRRSA-N 1 0 263.381 2.454 10 0 CEAERO C[C@H](Cc1cccc(Cl)c1)NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000089742176 179857557 /nfs/dbraw/zinc/85/75/57/179857557.db2.gz ABTKXLJTICFMLD-YPMHNXCESA-N 1 0 280.799 2.387 10 0 CEAERO Cc1ccc([C@H](SCCS(C)(=O)=O)[C@@H](C)[NH3+])s1 ZINC000104335959 185973551 /nfs/dbraw/zinc/97/35/51/185973551.db2.gz QXQUZOSLIGCTFV-MWLCHTKSSA-N 1 0 293.479 2.223 10 0 CEAERO C[C@@H](NC(=O)C[C@@H]1CC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000089741918 539730321 /nfs/dbraw/zinc/73/03/21/539730321.db2.gz XAMULGHKOMBONY-ZJUUUORDSA-N 1 0 268.307 2.142 10 0 CEAERO CN1C(=O)CC[C@@H]([NH2+][C@H]2CCCCc3ccccc32)C1=O ZINC000090023092 179906515 /nfs/dbraw/zinc/90/65/15/179906515.db2.gz WUDRNUNZKAQYCE-LSDHHAIUSA-N 1 0 286.375 2.191 10 0 CEAERO COc1cccc(Cl)c1CNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000234887687 539742543 /nfs/dbraw/zinc/74/25/43/539742543.db2.gz ZAQBGVUJIPZKFD-WDEREUQCSA-N 1 0 296.798 2.340 10 0 CEAERO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1c1nccc2sccc21 ZINC000090328327 179960085 /nfs/dbraw/zinc/96/00/85/179960085.db2.gz JQIRHYVAWBQNOK-CKYFFXLPSA-N 1 0 259.378 2.340 10 0 CEAERO CC1(C)[C@H]2C[NH2+]C[C@@H]2CN1C(=O)C1(c2ccccc2)CC1 ZINC000090336499 179964929 /nfs/dbraw/zinc/96/49/29/179964929.db2.gz RCOCMWHGKAAXTN-HIFRSBDPSA-N 1 0 284.403 2.175 10 0 CEAERO Cc1ccc(C(=O)N2C[C@@H]3C[NH2+]C[C@H]3C2(C)C)cc1F ZINC000090335657 179965036 /nfs/dbraw/zinc/96/50/36/179965036.db2.gz IXDJKJJPEGDGRZ-QWHCGFSZSA-N 1 0 276.355 2.204 10 0 CEAERO Cc1cccc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2(C)C)c1C ZINC000090336334 179965095 /nfs/dbraw/zinc/96/50/95/179965095.db2.gz GBUHXWDIMXONMB-UKRRQHHQSA-N 1 0 272.392 2.373 10 0 CEAERO COC(=O)[C@H](CSC[C@@H](C)[NH3+])c1ccccc1 ZINC000090342562 179968633 /nfs/dbraw/zinc/96/86/33/179968633.db2.gz LLSMNCRVTPTDJE-ZYHUDNBSSA-N 1 0 253.367 2.024 10 0 CEAERO C[C@H]([NH3+])CSCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000090343618 179969226 /nfs/dbraw/zinc/96/92/26/179969226.db2.gz XVDAEVLTVIGIJI-ZETCQYMHSA-N 1 0 276.764 2.498 10 0 CEAERO C[C@H]([NH3+])CCSCCCn1c2ccccc2[nH]c1=O ZINC000090345923 179970123 /nfs/dbraw/zinc/97/01/23/179970123.db2.gz BMUPBJVYJLUDEB-NSHDSACASA-N 1 0 279.409 2.190 10 0 CEAERO C[C@H](C[NH3+])CSCC(=O)NCCSc1ccccc1 ZINC000090349971 179971913 /nfs/dbraw/zinc/97/19/13/179971913.db2.gz AYAIPQNZOFKNHN-GFCCVEGCSA-N 1 0 298.477 2.223 10 0 CEAERO COc1ccc(C)cc1NC(=O)CSC[C@@H](C)C[NH3+] ZINC000090350694 179972093 /nfs/dbraw/zinc/97/20/93/179972093.db2.gz ZAGGGXPKLXGSSX-NSHDSACASA-N 1 0 282.409 2.270 10 0 CEAERO CC[C@H]([NH3+])CSCc1csc(N(CC)C(C)=O)n1 ZINC000090357054 179975594 /nfs/dbraw/zinc/97/55/94/179975594.db2.gz ZAMLIPDOPNIJMZ-JTQLQIEISA-N 1 0 287.454 2.486 10 0 CEAERO CC(C)c1cc(NC(=O)CSCC(C)(C)[NH3+])on1 ZINC000090358308 179976444 /nfs/dbraw/zinc/97/64/44/179976444.db2.gz DXUODOMFOBPBLI-UHFFFAOYSA-N 1 0 271.386 2.207 10 0 CEAERO Cc1ccc2c(c1)nc([C@H]1COC[C@H]1[NH3+])n2C1CC1 ZINC000090363686 179977689 /nfs/dbraw/zinc/97/76/89/179977689.db2.gz BOAKJQRTZYQQDT-NWDGAFQWSA-N 1 0 257.337 2.121 10 0 CEAERO COc1ccc([C@@H](C)NC(=O)[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000090310380 179955440 /nfs/dbraw/zinc/95/54/40/179955440.db2.gz CPVXYUZZECCMKS-KYOSRNDESA-N 1 0 276.380 2.247 10 0 CEAERO CC[NH2+][C@H](C)[C@H]1CCCCN1Cc1cnn(CC)c1 ZINC000104428158 185998724 /nfs/dbraw/zinc/99/87/24/185998724.db2.gz PHQWQWXRAFJHIT-UKRRQHHQSA-N 1 0 264.417 2.256 10 0 CEAERO CC[NH2+][C@H]1COC[C@H]1c1nc(-c2cccc(Cl)c2)no1 ZINC000090473583 179989744 /nfs/dbraw/zinc/98/97/44/179989744.db2.gz WDOMXTVXACXECK-NEPJUHHUSA-N 1 0 293.754 2.482 10 0 CEAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)sc1Cl ZINC000623766093 350107667 /nfs/dbraw/zinc/10/76/67/350107667.db2.gz AGHUQIWROCUZOX-JGVFFNPUSA-N 1 0 282.192 2.294 10 0 CEAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623768398 350108164 /nfs/dbraw/zinc/10/81/64/350108164.db2.gz UZEPJWYYPBKCMU-IUCAKERBSA-N 1 0 281.299 2.006 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccc(CC)cc1 ZINC000090539052 180000449 /nfs/dbraw/zinc/00/04/49/180000449.db2.gz AKQHRWRNERATDZ-HUUCEWRRSA-N 1 0 276.380 2.202 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1cc(F)ccc1C ZINC000090539035 180000555 /nfs/dbraw/zinc/00/05/55/180000555.db2.gz BUDNXFTYIGUFEU-JSGCOSHPSA-N 1 0 280.343 2.087 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)N1CCCC(C)(C)CC1 ZINC000090546384 180001013 /nfs/dbraw/zinc/00/10/13/180001013.db2.gz ZPPFQEBALZNOMO-ZIAGYGMSSA-N 1 0 282.428 2.040 10 0 CEAERO Cc1ccc(NC(=O)CSCC2C[NH2+]C2)cc1C ZINC000090712868 180028582 /nfs/dbraw/zinc/02/85/82/180028582.db2.gz CDTXLKGZNHKEQV-UHFFFAOYSA-N 1 0 264.394 2.195 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1CN(C)c1ccccc1OC ZINC000090566689 180006685 /nfs/dbraw/zinc/00/66/85/180006685.db2.gz LUZGGESGARPBGB-KGLIPLIRSA-N 1 0 278.396 2.146 10 0 CEAERO C[C@@]1(c2nc3c(cccc3F)n2C2CC2)COC[C@H]1[NH3+] ZINC000090571799 180007847 /nfs/dbraw/zinc/00/78/47/180007847.db2.gz HMWGGKWIJUQIBE-IUODEOHRSA-N 1 0 275.327 2.126 10 0 CEAERO O=C(CSCC1C[NH2+]C1)Nc1ccccc1Cl ZINC000090712624 180028752 /nfs/dbraw/zinc/02/87/52/180028752.db2.gz HWDMIMFBRGCCPF-UHFFFAOYSA-N 1 0 270.785 2.231 10 0 CEAERO Cc1cccc(C(C)C)c1NC(=O)[C@]1(C)COC[C@@H]1[NH3+] ZINC000090580742 180008875 /nfs/dbraw/zinc/00/88/75/180008875.db2.gz ONLZSOYVNGGFCO-XJKSGUPXSA-N 1 0 276.380 2.421 10 0 CEAERO NC(=O)c1cccc(-c2cncc(NC[C@H]3CCC[NH2+]3)c2)c1 ZINC000090585597 180009361 /nfs/dbraw/zinc/00/93/61/180009361.db2.gz LMVDLAKTHWHLGE-OAHLLOKOSA-N 1 0 296.374 2.011 10 0 CEAERO CCC1CCC([N@H+](C)C[C@@]2(C)COC[C@@H]2N)CC1 ZINC000090606834 180011147 /nfs/dbraw/zinc/01/11/47/180011147.db2.gz BWKDKCVTJUIXGZ-WUCCLRPBSA-N 1 0 254.418 2.251 10 0 CEAERO COC(C[C@@H](C[NH3+])N(C)Cc1ccc(Cl)cc1)OC ZINC000090625120 180015542 /nfs/dbraw/zinc/01/55/42/180015542.db2.gz DWYLIBHFJBHAHL-ZDUSSCGKSA-N 1 0 286.803 2.108 10 0 CEAERO COC(C[C@@H](CN)[N@@H+]1CCC[C@@H](C(C)C)CC1)OC ZINC000090625404 180015916 /nfs/dbraw/zinc/01/59/16/180015916.db2.gz QBMJLPVLWGMTOS-KGLIPLIRSA-N 1 0 272.433 2.081 10 0 CEAERO C[C@H](Oc1ccc(F)cc1C(N)=[NH2+])C(F)(F)F ZINC000090673154 180020768 /nfs/dbraw/zinc/02/07/68/180020768.db2.gz GKBRVRFZAUDOLT-YFKPBYRVSA-N 1 0 250.195 2.439 10 0 CEAERO CCN1CCO[C@H](C[NH2+]C2CCC(C)(C)CC2)C1 ZINC000090715082 180029565 /nfs/dbraw/zinc/02/95/65/180029565.db2.gz DIWNTIBXORYQBF-CQSZACIVSA-N 1 0 254.418 2.266 10 0 CEAERO C[N@H+](CCCNc1nc(N)ns1)C1CCCCC1 ZINC000090693057 180025327 /nfs/dbraw/zinc/02/53/27/180025327.db2.gz GBXMTWRLARVRDS-UHFFFAOYSA-N 1 0 269.418 2.187 10 0 CEAERO C[N@H+](CCCNc1nc(N)ns1)Cc1ccccc1 ZINC000090693041 180025569 /nfs/dbraw/zinc/02/55/69/180025569.db2.gz MNEOMILSNPDAKL-UHFFFAOYSA-N 1 0 277.397 2.054 10 0 CEAERO CC(C)NC(=O)N1CCCSC[C@@H]1C[NH+]1CCCCC1 ZINC000090701790 180027955 /nfs/dbraw/zinc/02/79/55/180027955.db2.gz XJJRSASUSLRJDR-AWEZNQCLSA-N 1 0 299.484 2.398 10 0 CEAERO CCCOc1cc(NC[C@H]2CCC[C@H]2C[NH3+])ncn1 ZINC000090785740 180040016 /nfs/dbraw/zinc/04/00/16/180040016.db2.gz WJZLUEULGBXSDZ-NWDGAFQWSA-N 1 0 264.373 2.052 10 0 CEAERO CCCOc1cc(N[C@H]2CCCC[C@H]2C[NH3+])ncn1 ZINC000090785281 180040185 /nfs/dbraw/zinc/04/01/85/180040185.db2.gz PLDNQKVWAAQWJK-RYUDHWBXSA-N 1 0 264.373 2.195 10 0 CEAERO CCOc1cc(Nc2ccc(CC[NH3+])cc2)ncn1 ZINC000090784794 180040245 /nfs/dbraw/zinc/04/02/45/180040245.db2.gz GRMCRLJGZCERND-UHFFFAOYSA-N 1 0 258.325 2.120 10 0 CEAERO CCN(c1cc(OC)nc(C)n1)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000090787131 180040541 /nfs/dbraw/zinc/04/05/41/180040541.db2.gz ZLANVHSNLKFGCO-CHWSQXEVSA-N 1 0 278.400 2.137 10 0 CEAERO C[NH2+][C@H]1C[C@@H](Oc2c(OC)cccc2OC)C1(C)C ZINC000090839361 180043345 /nfs/dbraw/zinc/04/33/45/180043345.db2.gz PGLGXYOUQAFPRF-QWHCGFSZSA-N 1 0 265.353 2.469 10 0 CEAERO CC[C@H](C[NH3+])N1CCN(c2snc3ccccc32)CC1 ZINC000090868875 180049232 /nfs/dbraw/zinc/04/92/32/180049232.db2.gz RAVLUPFQGVJEGL-GFCCVEGCSA-N 1 0 290.436 2.156 10 0 CEAERO CC[C@@H]([NH3+])Cc1nccn1C[C@@H]1Cc2ccccc2O1 ZINC000090877415 180051879 /nfs/dbraw/zinc/05/18/79/180051879.db2.gz FBTXXMDIJXLBKC-KGLIPLIRSA-N 1 0 271.364 2.167 10 0 CEAERO Cc1ncc(C[NH2+]C2CC2)n1C[C@H]1Cc2ccccc2O1 ZINC000090877819 180052062 /nfs/dbraw/zinc/05/20/62/180052062.db2.gz KUTZIZDWBUIKJR-MRXNPFEDSA-N 1 0 283.375 2.447 10 0 CEAERO CC(C)[C@@H](CN(C)C)[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892411 180053650 /nfs/dbraw/zinc/05/36/50/180053650.db2.gz HFDAPWSPECPTIC-LSDHHAIUSA-N 1 0 280.387 2.305 10 0 CEAERO CC(C)C[C@H](CO)[NH2+]C[C@H]1Cc2cc(F)ccc2O1 ZINC000090892320 180054270 /nfs/dbraw/zinc/05/42/70/180054270.db2.gz CVXRJXBIXYQJMT-ZIAGYGMSSA-N 1 0 267.344 2.126 10 0 CEAERO C[C@H](CC(N)=S)[N@H+](C)C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893186 180054762 /nfs/dbraw/zinc/05/47/62/180054762.db2.gz YZDKANHVGZANJN-SKDRFNHKSA-N 1 0 282.384 2.126 10 0 CEAERO CC[C@@H]([NH3+])Cc1nccn1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090895274 180056335 /nfs/dbraw/zinc/05/63/35/180056335.db2.gz SVWHDPUUDZXXHU-KGLIPLIRSA-N 1 0 289.354 2.306 10 0 CEAERO CCCN(C[C@H]1Cc2cc(F)ccc2O1)[C@@H]1CC[NH2+]C1 ZINC000090894290 180056377 /nfs/dbraw/zinc/05/63/77/180056377.db2.gz TUVCSNPDCNPSOB-HUUCEWRRSA-N 1 0 278.371 2.203 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[NH2+][C@H](C)[C@@H]1CCCO1)O2 ZINC000090897388 180056952 /nfs/dbraw/zinc/05/69/52/180056952.db2.gz BUYUWUUJDSVNPS-YUELXQCFSA-N 1 0 261.365 2.456 10 0 CEAERO Cc1ccc2c(c1)C[C@H](COC[C@@H]1CCCC[NH2+]1)O2 ZINC000090899119 180057743 /nfs/dbraw/zinc/05/77/43/180057743.db2.gz NGMVIRZEGZCANN-LSDHHAIUSA-N 1 0 261.365 2.457 10 0 CEAERO COC(=O)C1CC[NH+](C[C@@H]2Cc3cc(C)ccc3O2)CC1 ZINC000090900778 180058617 /nfs/dbraw/zinc/05/86/17/180058617.db2.gz MTBZMWCATAZNOK-HNNXBMFYSA-N 1 0 289.375 2.184 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](C[N@@H+]1CCCC[C@@H]1CO)O2 ZINC000090900906 180058801 /nfs/dbraw/zinc/05/88/01/180058801.db2.gz SUNJZUIGEYJGED-CABCVRRESA-N 1 0 261.365 2.145 10 0 CEAERO CC[N@H+](CCC(=O)OC)C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090900801 180059044 /nfs/dbraw/zinc/05/90/44/180059044.db2.gz BDKPYGJADMQDJV-AWEZNQCLSA-N 1 0 277.364 2.184 10 0 CEAERO [NH3+]C[C@@H](c1ccc(Cl)c(F)c1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905715 180059734 /nfs/dbraw/zinc/05/97/34/180059734.db2.gz JWGSDHXTFVGADL-WDMOLILDSA-N 1 0 284.762 2.342 10 0 CEAERO CC(C)(CO)[NH2+]C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090903533 180060317 /nfs/dbraw/zinc/06/03/17/180060317.db2.gz PEDMSGOCYYKXDN-NSHDSACASA-N 1 0 255.745 2.004 10 0 CEAERO CC[C@](C)(CO)[NH2+]C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090905016 180060452 /nfs/dbraw/zinc/06/04/52/180060452.db2.gz GJCLPAZZWROWFW-GXTWGEPZSA-N 1 0 269.772 2.394 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](CC1(CO)CC[NH2+]CC1)O2 ZINC000090902794 180060511 /nfs/dbraw/zinc/06/05/11/180060511.db2.gz YPWYITUFDLXXTJ-AWEZNQCLSA-N 1 0 261.365 2.051 10 0 CEAERO CCCOc1ccc([C@@H]([NH3+])CN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090906073 180060735 /nfs/dbraw/zinc/06/07/35/180060735.db2.gz CPUWYNNKNHGSSJ-BBWFWOEESA-N 1 0 290.407 2.338 10 0 CEAERO CC[NH2+]C[C@](C)(CN1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000090907500 180062068 /nfs/dbraw/zinc/06/20/68/180062068.db2.gz KHJVKBXZFSPENQ-FGTMMUONSA-N 1 0 288.435 2.417 10 0 CEAERO C[C@H]([NH3+])c1nc(-c2nc3cccnc3n2C)cs1 ZINC000090934779 180067449 /nfs/dbraw/zinc/06/74/49/180067449.db2.gz NGCZJBLQOKIWJC-ZETCQYMHSA-N 1 0 259.338 2.112 10 0 CEAERO COc1ccc(C[NH2+]Cc2sccc2NC(C)=O)cn1 ZINC000090959232 180075298 /nfs/dbraw/zinc/07/52/98/180075298.db2.gz JWHBIFCRDXNHNT-UHFFFAOYSA-N 1 0 291.376 2.400 10 0 CEAERO [NH3+]CCc1nc(CN2CCC[C@H](C(F)(F)F)C2)cs1 ZINC000090958798 180075449 /nfs/dbraw/zinc/07/54/49/180075449.db2.gz NHGPGXZKFQRCPV-VIFPVBQESA-N 1 0 293.358 2.419 10 0 CEAERO CC(=O)Nc1ccccc1C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000090961360 180076328 /nfs/dbraw/zinc/07/63/28/180076328.db2.gz XMWONSLDMDDFIB-XHDPSFHLSA-N 1 0 262.353 2.302 10 0 CEAERO C[NH2+][C@@H](c1ccc2[nH]c(=O)[nH]c2c1)[C@H]1Cc2ccccc21 ZINC000090983980 180080053 /nfs/dbraw/zinc/08/00/53/180080053.db2.gz KEEDJBCVYCEIJG-BBRMVZONSA-N 1 0 279.343 2.457 10 0 CEAERO C[C@@H]1CCC[C@](C[NH3+])(NC(=O)[C@@H]2Cc3ccccc32)C1 ZINC000090987196 180080713 /nfs/dbraw/zinc/08/07/13/180080713.db2.gz VKECEZJXEOLZJU-VMGRFDJRSA-N 1 0 272.392 2.350 10 0 CEAERO [NH3+]Cc1cccc(C(=O)NC[C@@H]2Cc3ccccc32)c1 ZINC000090992110 180081568 /nfs/dbraw/zinc/08/15/68/180081568.db2.gz FBSVSHQHEDABDU-HNNXBMFYSA-N 1 0 266.344 2.215 10 0 CEAERO NC(=O)c1ccc(F)c(C[NH2+]C[C@H]2Cc3ccccc32)c1 ZINC000090992880 180082282 /nfs/dbraw/zinc/08/22/82/180082282.db2.gz JNXPNDGVLYUROG-CYBMUJFWSA-N 1 0 284.334 2.354 10 0 CEAERO CCn1nc(C)c(Br)c1Cn1cccc1C[NH3+] ZINC000090995126 180082730 /nfs/dbraw/zinc/08/27/30/180082730.db2.gz LMYSQLCJBLFKMT-UHFFFAOYSA-N 1 0 297.200 2.282 10 0 CEAERO [NH3+]Cc1cn(Cc2nc(C3CC3)no2)c2ccccc12 ZINC000090995004 180082780 /nfs/dbraw/zinc/08/27/80/180082780.db2.gz SSXPJVDAVSGHGN-UHFFFAOYSA-N 1 0 268.320 2.409 10 0 CEAERO C[NH2+]Cc1cn(Cc2nc(C)no2)c2ccccc12 ZINC000090995321 180082793 /nfs/dbraw/zinc/08/27/93/180082793.db2.gz KDMNESZEVHJVNZ-UHFFFAOYSA-N 1 0 256.309 2.100 10 0 CEAERO CCC[NH2+]Cc1cn(C[C@@H](C)C(N)=O)c2ccccc12 ZINC000090995476 180082900 /nfs/dbraw/zinc/08/29/00/180082900.db2.gz ARLPTZAPSORVCF-GFCCVEGCSA-N 1 0 273.380 2.262 10 0 CEAERO CC(C)[NH2+]Cc1cccn1Cc1nc(C2CC2)no1 ZINC000091001086 180083224 /nfs/dbraw/zinc/08/32/24/180083224.db2.gz MJYXMKBNAOQTLB-UHFFFAOYSA-N 1 0 260.341 2.295 10 0 CEAERO CCCn1ccc(C[NH2+]CCC(=O)N(CC)CC)c1 ZINC000091012264 180086396 /nfs/dbraw/zinc/08/63/96/180086396.db2.gz QFWPLDWDVWCIJB-UHFFFAOYSA-N 1 0 265.401 2.246 10 0 CEAERO C[C@H](CN1CCCC1)[NH2+]Cc1c[nH]c2ncccc12 ZINC000091017596 180086795 /nfs/dbraw/zinc/08/67/95/180086795.db2.gz YEVYPQZXRQPYRD-GFCCVEGCSA-N 1 0 258.369 2.137 10 0 CEAERO C[C@H]([NH2+]Cc1c[nH]c2ncccc12)C(=O)N1CCCCC1 ZINC000091017324 180086907 /nfs/dbraw/zinc/08/69/07/180086907.db2.gz UDQVLBJIEURMLA-LBPRGKRZSA-N 1 0 286.379 2.054 10 0 CEAERO CC[NH2+]Cc1cn(Cc2nccn2CC)c2ncccc12 ZINC000091020152 180087704 /nfs/dbraw/zinc/08/77/04/180087704.db2.gz DMASURVZSAXHRW-UHFFFAOYSA-N 1 0 283.379 2.411 10 0 CEAERO CCCCOC(=O)Cn1cc(C[NH2+]C)c2cccnc21 ZINC000091019397 180087901 /nfs/dbraw/zinc/08/79/01/180087901.db2.gz BVBAIPOQVKNPEB-UHFFFAOYSA-N 1 0 275.352 2.099 10 0 CEAERO CC[NH2+]Cc1cn(Cc2cc(C)no2)c2ncccc12 ZINC000091019994 180088187 /nfs/dbraw/zinc/08/81/87/180088187.db2.gz XWLQFUWNMOBAKX-UHFFFAOYSA-N 1 0 270.336 2.491 10 0 CEAERO CCC[NH2+]Cc1cn(Cc2nnc(C)o2)c2ncccc12 ZINC000091020399 180088298 /nfs/dbraw/zinc/08/82/98/180088298.db2.gz RVBYSZIXPFBIFP-UHFFFAOYSA-N 1 0 285.351 2.276 10 0 CEAERO CNC(=O)CCn1cc(C[NH2+]C(C)(C)C)c2cccnc21 ZINC000091021053 180088923 /nfs/dbraw/zinc/08/89/23/180088923.db2.gz VQXXINWFYAVTRA-UHFFFAOYSA-N 1 0 288.395 2.061 10 0 CEAERO C[C@@H]([NH3+])c1nc(-c2nc(Cc3ccncc3)no2)cs1 ZINC000090938929 180068315 /nfs/dbraw/zinc/06/83/15/180068315.db2.gz BQOUXNCPDSSFHF-MRVPVSSYSA-N 1 0 287.348 2.199 10 0 CEAERO c1cc2c(cn1)nc(C[C@H]1CSCC[NH2+]1)n2C1CC1 ZINC000091128707 180100314 /nfs/dbraw/zinc/10/03/14/180100314.db2.gz MLEPQEPHNPSHPZ-JTQLQIEISA-N 1 0 274.393 2.014 10 0 CEAERO Cn1c(C[C@@H]2CSCC[NH2+]2)nc2cc(Cl)ccc21 ZINC000091128540 180100531 /nfs/dbraw/zinc/10/05/31/180100531.db2.gz QTSPNSFDSGBEMI-SNVBAGLBSA-N 1 0 281.812 2.474 10 0 CEAERO CCC1CCC([N@H+](C)[C@H](CN)CC(=O)NC(C)C)CC1 ZINC000091318486 180133441 /nfs/dbraw/zinc/13/34/41/180133441.db2.gz QQPYKXXNNWMGQB-NRXISQOPSA-N 1 0 283.460 2.129 10 0 CEAERO CCN(c1cccc(C)c1)[C@@H](C[NH3+])CC(=O)NC(C)C ZINC000091318337 180133459 /nfs/dbraw/zinc/13/34/59/180133459.db2.gz SCUOJMSAHAMUGU-OAHLLOKOSA-N 1 0 277.412 2.063 10 0 CEAERO CC(C)NC(=O)C[C@@H](C[NH3+])N(C)[C@@H](C)c1ccccc1F ZINC000091318698 180133469 /nfs/dbraw/zinc/13/34/69/180133469.db2.gz OCOJYEWNAURSHQ-STQMWFEESA-N 1 0 295.402 2.061 10 0 CEAERO Cc1ccccc1N[C@@H](C[NH3+])CC(=O)NC(C)(C)C ZINC000091321843 180134345 /nfs/dbraw/zinc/13/43/45/180134345.db2.gz UMOVMKVTKFECOD-GFCCVEGCSA-N 1 0 263.385 2.039 10 0 CEAERO CCCC[NH+](CCCC)[C@@H](CN)CC(=O)N(CC)CC ZINC000091322617 180134778 /nfs/dbraw/zinc/13/47/78/180134778.db2.gz NRRAMGMRWKECGG-OAHLLOKOSA-N 1 0 285.476 2.474 10 0 CEAERO CCCCOCC[C@](C[NH3+])(c1ccccc1)[C@H](C)O ZINC000091327611 180135916 /nfs/dbraw/zinc/13/59/16/180135916.db2.gz NAPGLXGYLAXCEM-GOEBONIOSA-N 1 0 265.397 2.471 10 0 CEAERO Cc1ncc(C[C@](C[NH3+])(c2ccccc2)[C@@H](C)O)s1 ZINC000091327585 180135976 /nfs/dbraw/zinc/13/59/76/180135976.db2.gz JUVHZCDFXDYGJN-IAQYHMDHSA-N 1 0 276.405 2.272 10 0 CEAERO CN(C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)[C@H]1CCSC1 ZINC000091359375 180140687 /nfs/dbraw/zinc/14/06/87/180140687.db2.gz MJZKLVJMBLAKDK-XUXIUFHCSA-N 1 0 282.453 2.261 10 0 CEAERO O=C(NCc1cscn1)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000091361364 180141543 /nfs/dbraw/zinc/14/15/43/180141543.db2.gz JPYJGJCTJBHXPE-WXHSDQCUSA-N 1 0 279.409 2.070 10 0 CEAERO C[NH2+]CC[C@H]1CCCCN1Cc1cncn1C(C)C ZINC000091273064 180117826 /nfs/dbraw/zinc/11/78/26/180117826.db2.gz DISRUGNXSUNJIM-CQSZACIVSA-N 1 0 264.417 2.428 10 0 CEAERO CN(CC[C@H]1CSCC[NH2+]1)c1ccccc1F ZINC000091292234 180123474 /nfs/dbraw/zinc/12/34/74/180123474.db2.gz YWEZNVBULAHFMB-NSHDSACASA-N 1 0 254.374 2.357 10 0 CEAERO CCSc1ccccc1NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000091300509 180128038 /nfs/dbraw/zinc/12/80/38/180128038.db2.gz LVXDUHYGRWRVIG-NSHDSACASA-N 1 0 280.393 2.116 10 0 CEAERO C[NH+](C)[C@@H]1CCCN([C@@H]2CCc3ccccc3[C@@H]2O)C1 ZINC000091433098 180153692 /nfs/dbraw/zinc/15/36/92/180153692.db2.gz MTRWDENDBLLKLY-OIISXLGYSA-N 1 0 274.408 2.061 10 0 CEAERO C[NH+](C)[C@H]1CCCN(CCNc2ccc(F)cc2)C1 ZINC000091432960 180153821 /nfs/dbraw/zinc/15/38/21/180153821.db2.gz WEAXPYRKDPHXDM-HNNXBMFYSA-N 1 0 265.376 2.264 10 0 CEAERO CC(C)[NH2+]Cc1cncc(O[C@H](C)C(F)(F)F)n1 ZINC000091435610 180154334 /nfs/dbraw/zinc/15/43/34/180154334.db2.gz VWXVXURVRKNEJA-MRVPVSSYSA-N 1 0 263.263 2.304 10 0 CEAERO C[C@@H]([NH3+])c1c(F)cccc1N(C)CC1CC(O)C1 ZINC000091460533 180161396 /nfs/dbraw/zinc/16/13/96/180161396.db2.gz PVGOECMKZADKEY-KPPDAEKUSA-N 1 0 252.333 2.053 10 0 CEAERO CC[C@@H]([NH2+]C)c1nnc(-c2ccncc2Cl)o1 ZINC000091465278 180164013 /nfs/dbraw/zinc/16/40/13/180164013.db2.gz CQGXXRQPMKFHCS-SECBINFHSA-N 1 0 252.705 2.456 10 0 CEAERO CCC[NH2+]CC[C@@](C)(O)Cc1nn(C)c2ccccc12 ZINC000091469643 180164890 /nfs/dbraw/zinc/16/48/90/180164890.db2.gz JTZPAHZVXUHDFN-MRXNPFEDSA-N 1 0 275.396 2.257 10 0 CEAERO CCCS(=O)(=O)c1ccccc1OC1CC(C[NH2+]C)C1 ZINC000091474836 180165635 /nfs/dbraw/zinc/16/56/35/180165635.db2.gz OZPBHKSWIUUJGY-UHFFFAOYSA-N 1 0 297.420 2.247 10 0 CEAERO Cc1ccc(C(F)(F)F)cc1N1C[C@H]([NH3+])CC1=O ZINC000091480780 180166750 /nfs/dbraw/zinc/16/67/50/180166750.db2.gz WTDVGWBNUIALJP-SECBINFHSA-N 1 0 258.243 2.078 10 0 CEAERO [NH3+]CC1CN(C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000091487590 180168066 /nfs/dbraw/zinc/16/80/66/180168066.db2.gz KPXLREIFITZVHP-UHFFFAOYSA-N 1 0 273.258 2.128 10 0 CEAERO C[C@@H](c1noc(C2C(C)(C)C2(C)C)n1)N1CC[NH2+]CC1 ZINC000091494285 180171027 /nfs/dbraw/zinc/17/10/27/180171027.db2.gz OVDVNZDOBWYAAA-JTQLQIEISA-N 1 0 278.400 2.185 10 0 CEAERO CCC[NH2+][C@@H]([C@@H](C)c1ccncc1)C(C)(C)S(C)(=O)=O ZINC000091379988 180143857 /nfs/dbraw/zinc/14/38/57/180143857.db2.gz JYAGYXLGOZJGFR-JSGCOSHPSA-N 1 0 298.452 2.377 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]C2CC(O)C2)C12CCCCC2 ZINC000091423771 180151500 /nfs/dbraw/zinc/15/15/00/180151500.db2.gz NRHHFJCZRUVWGW-CLRIEMFWSA-N 1 0 253.386 2.227 10 0 CEAERO C[C@@H](NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccccn1 ZINC000105080187 186040404 /nfs/dbraw/zinc/04/04/04/186040404.db2.gz YBKIDBSFAKJUOW-ZIAGYGMSSA-N 1 0 288.395 2.022 10 0 CEAERO CC(C)([C@H](O)CCc1ccccc1)[NH+]1CCOCC1 ZINC000091565679 180193161 /nfs/dbraw/zinc/19/31/61/180193161.db2.gz IBDCXABCHCSGEM-OAHLLOKOSA-N 1 0 263.381 2.091 10 0 CEAERO Cc1ccnc(N)c1[C@@H](N)C(C)(C)[NH+]1CCCCC1 ZINC000091564378 180193250 /nfs/dbraw/zinc/19/32/50/180193250.db2.gz WEFNJBSMCNAHJA-CYBMUJFWSA-N 1 0 262.401 2.237 10 0 CEAERO CCn1cc([C@H]([NH2+]C)C(C)(C)N2CCCCC2)cn1 ZINC000091564948 180193740 /nfs/dbraw/zinc/19/37/40/180193740.db2.gz NJCDJQZHJBYFGK-AWEZNQCLSA-N 1 0 264.417 2.428 10 0 CEAERO CC(C)([C@@H]([NH3+])c1ccc(F)c(F)c1)N1CCOCC1 ZINC000091566266 180194151 /nfs/dbraw/zinc/19/41/51/180194151.db2.gz FBKXMSMRDIAXMX-ZDUSSCGKSA-N 1 0 270.323 2.075 10 0 CEAERO CC(C)([C@@H]([NH3+])Cc1cccc(Cl)c1)N1CCOCC1 ZINC000091566386 180194240 /nfs/dbraw/zinc/19/42/40/180194240.db2.gz FOUUGRQVZNIIJC-AWEZNQCLSA-N 1 0 282.815 2.321 10 0 CEAERO Cc1ccc(C[C@@H](O)C(C)(C)[NH+]2CCOCC2)cc1 ZINC000091565915 180194276 /nfs/dbraw/zinc/19/42/76/180194276.db2.gz DZNCOUVIZPEWNY-OAHLLOKOSA-N 1 0 263.381 2.009 10 0 CEAERO CC[NH2+][C@@H](Cc1csc(C)n1)C(C)(C)N1CCOCC1 ZINC000091566936 180194920 /nfs/dbraw/zinc/19/49/20/180194920.db2.gz ZCTPSJNGOLZECQ-AWEZNQCLSA-N 1 0 297.468 2.083 10 0 CEAERO C[NH2+][C@@H](c1cccc(F)c1F)C(C)(C)N1CCOCC1 ZINC000091566715 180195157 /nfs/dbraw/zinc/19/51/57/180195157.db2.gz PTSIJJWUUFEURF-AWEZNQCLSA-N 1 0 284.350 2.336 10 0 CEAERO CC[NH2+][C@@H](c1cnccc1N)[C@@](C)(CC)N(C)C ZINC000091571211 180195704 /nfs/dbraw/zinc/19/57/04/180195704.db2.gz WNNFZCXFRMDGGQ-UONOGXRCSA-N 1 0 250.390 2.045 10 0 CEAERO CC[C@@](C)([C@@H](O)Cc1nn(C)c2ccccc12)[NH+](C)C ZINC000091569286 180195869 /nfs/dbraw/zinc/19/58/69/180195869.db2.gz OHLQTUUZGLJERJ-HOTGVXAUSA-N 1 0 275.396 2.207 10 0 CEAERO CC[C@@](C)([C@H](N)Cc1nn(C)c2ccccc12)[NH+](C)C ZINC000091569740 180195890 /nfs/dbraw/zinc/19/58/90/180195890.db2.gz NVWXCNZDTGRXNU-CVEARBPZSA-N 1 0 274.412 2.173 10 0 CEAERO CCn1ccnc1[C@@H](N)[C@](C)(CC)[NH+](CC)CC ZINC000091573972 180196106 /nfs/dbraw/zinc/19/61/06/180196106.db2.gz TZHSFTWOUFYBOS-OCCSQVGLSA-N 1 0 252.406 2.413 10 0 CEAERO CCn1ccnc1[C@@H](N)[C@@](C)(CC)[NH+](CC)CC ZINC000091573973 180196489 /nfs/dbraw/zinc/19/64/89/180196489.db2.gz TZHSFTWOUFYBOS-TZMCWYRMSA-N 1 0 252.406 2.413 10 0 CEAERO CCC[NH2+][C@H](c1cncnc1)[C@](C)(CC)N(C)C ZINC000091571767 180196665 /nfs/dbraw/zinc/19/66/65/180196665.db2.gz JCQNYKJAEOXTDM-KGLIPLIRSA-N 1 0 250.390 2.248 10 0 CEAERO CC[NH+](CC)C[C@H](C)Nc1c(N)c(C(C)C)nn1C ZINC000091582478 180199269 /nfs/dbraw/zinc/19/92/69/180199269.db2.gz VHLBPAYLBHXTLR-NSHDSACASA-N 1 0 267.421 2.268 10 0 CEAERO CC[C@](C)(C(=O)Cc1cc(C)nn1C)[NH+]1CCCC1 ZINC000091601666 180203382 /nfs/dbraw/zinc/20/33/82/180203382.db2.gz SFGISGUXPAIWAL-OAHLLOKOSA-N 1 0 263.385 2.105 10 0 CEAERO CCN[C@H](c1ccnn1C)[C@](C)(CC)[NH+]1CCCC1 ZINC000091607389 180204057 /nfs/dbraw/zinc/20/40/57/180204057.db2.gz UHKPJJBVGPGNPW-CABCVRRESA-N 1 0 264.417 2.335 10 0 CEAERO CCc1cc(C[C@@H](N)[C@](C)(CC)[NH+]2CCCC2)n(C)n1 ZINC000091605403 180204375 /nfs/dbraw/zinc/20/43/75/180204375.db2.gz FJFDOCCNWRTKMI-CVEARBPZSA-N 1 0 278.444 2.117 10 0 CEAERO CCn1nccc1[C@@H](NC)[C@@](C)(CC)[NH+]1CCCC1 ZINC000091606073 180204462 /nfs/dbraw/zinc/20/44/62/180204462.db2.gz UXUMPPISRYMHOT-HUUCEWRRSA-N 1 0 264.417 2.428 10 0 CEAERO CCn1cc(C[C@@H](N)[C@](C)(CC)[NH+]2CCCC2)cn1 ZINC000091605031 180204549 /nfs/dbraw/zinc/20/45/49/180204549.db2.gz CZDYLQNQVZCHMR-CABCVRRESA-N 1 0 264.417 2.037 10 0 CEAERO CC[C@](C)([C@@H]([NH2+]C)c1cnn(C)c1)N1CCCCC1 ZINC000091609864 180205042 /nfs/dbraw/zinc/20/50/42/180205042.db2.gz MHHRFSNTJSVIRU-LSDHHAIUSA-N 1 0 264.417 2.335 10 0 CEAERO CCn1cc(C[C@H](N)[C@@](C)(CC)[NH+]2CCCCC2)cn1 ZINC000091609124 180205836 /nfs/dbraw/zinc/20/58/36/180205836.db2.gz KIRREZNGRQULLP-JKSUJKDBSA-N 1 0 278.444 2.427 10 0 CEAERO CC[C@@](C)([C@@H]([NH3+])c1cccc(OC)c1)N1CCOCC1 ZINC000091611691 180206373 /nfs/dbraw/zinc/20/63/73/180206373.db2.gz JKLUNDRWURJEKC-HOTGVXAUSA-N 1 0 278.396 2.196 10 0 CEAERO CC[C@](C)([C@H](O)Cc1ccccc1C)[NH+]1CCOCC1 ZINC000091611270 180206557 /nfs/dbraw/zinc/20/65/57/180206557.db2.gz YGGPNNZQRBALMO-IAGOWNOFSA-N 1 0 277.408 2.399 10 0 CEAERO CC[NH2+][C@H](Cc1ccncc1)[C@](C)(CC)N1CCOCC1 ZINC000091613009 180207377 /nfs/dbraw/zinc/20/73/77/180207377.db2.gz HGDNPNWWKVGCGO-SJORKVTESA-N 1 0 291.439 2.103 10 0 CEAERO CC[NH2+][C@H](c1cnn(CC)c1)[C@](C)(CC)N1CCOCC1 ZINC000091612997 180207438 /nfs/dbraw/zinc/20/74/38/180207438.db2.gz MEOWRJXSAPBRFI-CVEARBPZSA-N 1 0 294.443 2.055 10 0 CEAERO CCn1nc(C)cc1C[C@@H](O)C(CC)(CC)[NH+](C)C ZINC000091613485 180207692 /nfs/dbraw/zinc/20/76/92/180207692.db2.gz CQVHCTCIDLJARH-CQSZACIVSA-N 1 0 267.417 2.235 10 0 CEAERO CCCn1nccc1[C@@H](O)C(CC)(CC)[NH+](C)C ZINC000091613710 180207836 /nfs/dbraw/zinc/20/78/36/180207836.db2.gz WNJYIWDGKZOCCV-CYBMUJFWSA-N 1 0 253.390 2.447 10 0 CEAERO CC[NH+](CC)C(CC)(CC)[C@H](O)c1ccnn1C ZINC000091615747 180207861 /nfs/dbraw/zinc/20/78/61/180207861.db2.gz UUAPLAMCNUWTBC-CYBMUJFWSA-N 1 0 253.390 2.354 10 0 CEAERO CC[NH+](CC)C(CC)(CC)[C@H](O)c1cnn(C)c1 ZINC000091615693 180207972 /nfs/dbraw/zinc/20/79/72/180207972.db2.gz MSEUJHKFNRGAHT-CYBMUJFWSA-N 1 0 253.390 2.354 10 0 CEAERO CCCn1ncnc1C[C@@H](N)C(CC)(CC)[NH+](CC)CC ZINC000091616058 180208019 /nfs/dbraw/zinc/20/80/19/180208019.db2.gz OPCQMHARPCVIIO-CQSZACIVSA-N 1 0 295.475 2.459 10 0 CEAERO CCc1cc(C[C@H](O)C(CC)(CC)[NH+](C)C)n(C)n1 ZINC000091613587 180208213 /nfs/dbraw/zinc/20/82/13/180208213.db2.gz NRPYEHBMRWBBHE-AWEZNQCLSA-N 1 0 267.417 2.006 10 0 CEAERO CCn1ncnc1CC(=O)C(CC)(CC)[NH+](CC)CC ZINC000091615393 180208222 /nfs/dbraw/zinc/20/82/22/180208222.db2.gz IFQHCISNHPLNAO-UHFFFAOYSA-N 1 0 280.416 2.310 10 0 CEAERO Cc1nc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)ccc1Br ZINC000091507080 180176314 /nfs/dbraw/zinc/17/63/14/180176314.db2.gz DXNLHUHOJVXEGI-DTWKUNHWSA-N 1 0 298.184 2.218 10 0 CEAERO COCC[NH2+]CC[C@@](C)(O)c1ccccc1Cl ZINC000091519867 180178431 /nfs/dbraw/zinc/17/84/31/180178431.db2.gz PGDJSGZYFGYBOM-CYBMUJFWSA-N 1 0 257.761 2.174 10 0 CEAERO COCC[NH2+]CC[C@@](C)(O)Cc1c(F)cccc1Cl ZINC000091519869 180178458 /nfs/dbraw/zinc/17/84/58/180178458.db2.gz FJNYQHFECIUGRJ-CQSZACIVSA-N 1 0 289.778 2.399 10 0 CEAERO CC[N@H+](CC(=O)N[C@@H](C)CCC(C)C)CC(C)(C)O ZINC000091527938 180179786 /nfs/dbraw/zinc/17/97/86/180179786.db2.gz JFYJJJOMZHOKCK-ZDUSSCGKSA-N 1 0 272.433 2.020 10 0 CEAERO CC[NH+](CC)C(C)(C)[C@H](N)Cc1c(Cl)c(C)nn1C ZINC000091530318 180180266 /nfs/dbraw/zinc/18/02/66/180180266.db2.gz WATIEPIONMHHOL-GFCCVEGCSA-N 1 0 286.851 2.372 10 0 CEAERO CCN(CC)C(C)(C)[C@H](Cc1cc(C)nn1CC)[NH2+]C ZINC000091530898 180180508 /nfs/dbraw/zinc/18/05/08/180180508.db2.gz WQZBQSZQRSPWCJ-HNNXBMFYSA-N 1 0 280.460 2.462 10 0 CEAERO C[C@H](NC(=O)[C@H]1CC[C@H]([NH3+])C1)c1cccc(F)c1 ZINC000091543774 180185228 /nfs/dbraw/zinc/18/52/28/180185228.db2.gz FGHQTELFUIGRBF-GAFUQQFSSA-N 1 0 250.317 2.130 10 0 CEAERO [NH3+][C@H]1CC[C@H](C(=O)Nc2ccc3ncccc3c2)C1 ZINC000091544749 180185724 /nfs/dbraw/zinc/18/57/24/180185724.db2.gz OMUDAVZKUWTVEK-RYUDHWBXSA-N 1 0 255.321 2.301 10 0 CEAERO Cc1nn(C(C)C)c(C)c1NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091545871 180186463 /nfs/dbraw/zinc/18/64/63/180186463.db2.gz FYKDWHQZKHQWOO-VXGBXAGGSA-N 1 0 264.373 2.147 10 0 CEAERO CC[C@@H]([NH2+][C@H]1CC(=O)N(C2CCCC2)C1=O)C(C)C ZINC000105028335 186038423 /nfs/dbraw/zinc/03/84/23/186038423.db2.gz QSQSPRNKPGRKMC-OLZOCXBDSA-N 1 0 266.385 2.081 10 0 CEAERO [NH3+][C@H]1CC[C@H](C(=O)NCCc2ccc(Cl)cc2)C1 ZINC000091546857 180187625 /nfs/dbraw/zinc/18/76/25/180187625.db2.gz QJNYRJYUXGTMES-AAEUAGOBSA-N 1 0 266.772 2.126 10 0 CEAERO [NH3+][C@H]1CC[C@H](C(=O)N(Cc2ccsc2)C2CC2)C1 ZINC000091549055 180188099 /nfs/dbraw/zinc/18/80/99/180188099.db2.gz NAHUMFHZWDWBSC-RYUDHWBXSA-N 1 0 264.394 2.367 10 0 CEAERO CC[NH+](CC)C1([C@@H](N)c2ccnn2C)CCCC1 ZINC000091639241 180212230 /nfs/dbraw/zinc/21/22/30/180212230.db2.gz HQLPOASITNORPH-ZDUSSCGKSA-N 1 0 250.390 2.075 10 0 CEAERO C[NH2+][C@@H](c1cc(C)cnc1N)C1(N(C)C)CCCC1 ZINC000091637589 180212343 /nfs/dbraw/zinc/21/23/43/180212343.db2.gz QTEZUURZNPARJE-ZDUSSCGKSA-N 1 0 262.401 2.107 10 0 CEAERO C[NH2+][C@@H](c1cnn(C)c1)C1(N2CCCCC2)CCCC1 ZINC000091642171 180213238 /nfs/dbraw/zinc/21/32/38/180213238.db2.gz QFARWZFAGCRNBV-HNNXBMFYSA-N 1 0 276.428 2.479 10 0 CEAERO CCn1nccc1[C@H](O)C1([NH+]2CCCC2)CCCC1 ZINC000091640160 180213293 /nfs/dbraw/zinc/21/32/93/180213293.db2.gz WUPVUHWDCUDFTP-AWEZNQCLSA-N 1 0 263.385 2.345 10 0 CEAERO Cc1cc(C[C@H](O)C2([NH+]3CCCC3)CCCC2)n(C)n1 ZINC000091640291 180213394 /nfs/dbraw/zinc/21/33/94/180213394.db2.gz WPAMYXPBPCEBPO-HNNXBMFYSA-N 1 0 277.412 2.041 10 0 CEAERO [NH3+][C@@H](C1CCCC1)C1(N2CCOCC2)CCCC1 ZINC000091642917 180214042 /nfs/dbraw/zinc/21/40/42/180214042.db2.gz DQJKIXAGYZPOAO-AWEZNQCLSA-N 1 0 252.402 2.149 10 0 CEAERO [NH3+][C@@H](CCC[C@H]1CCCO1)C1(N2CCOCC2)CCCC1 ZINC000091643076 180214258 /nfs/dbraw/zinc/21/42/58/180214258.db2.gz YDHBDKUUONRBAU-HOTGVXAUSA-N 1 0 296.455 2.308 10 0 CEAERO C[NH2+][C@@H](Cc1cnccc1N)C1(N(C)C)CCCCC1 ZINC000091647431 180215185 /nfs/dbraw/zinc/21/51/85/180215185.db2.gz CSWNFSKTOGKLNK-HNNXBMFYSA-N 1 0 276.428 2.059 10 0 CEAERO CC(C)n1ncnc1C[C@H](O)C1([NH+](C)C)CCCCC1 ZINC000091646689 180215382 /nfs/dbraw/zinc/21/53/82/180215382.db2.gz RKWZRCNSJVCSAH-ZDUSSCGKSA-N 1 0 280.416 2.027 10 0 CEAERO CC[NH2+][C@H](c1cccnc1)C1(N2CCOCC2)CCCC1 ZINC000091646260 180215417 /nfs/dbraw/zinc/21/54/17/180215417.db2.gz JPSXLKVVGCCMQA-MRXNPFEDSA-N 1 0 289.423 2.377 10 0 CEAERO CCn1cc([C@@H](O)C2([NH+](C)C)CCC(C)CC2)cn1 ZINC000091648412 180215575 /nfs/dbraw/zinc/21/55/75/180215575.db2.gz FCIPJTZNWFBJOP-HNFVBEJKSA-N 1 0 265.401 2.447 10 0 CEAERO CC[NH2+][C@@H](Cc1ccnc(N)c1)C1(N(C)C)CCCCC1 ZINC000091647748 180215807 /nfs/dbraw/zinc/21/58/07/180215807.db2.gz DLOYCBQLRLOPIK-HNNXBMFYSA-N 1 0 290.455 2.449 10 0 CEAERO CC[NH2+][C@H](Cc1cnn(C)c1)C1(N(C)C)CCCCC1 ZINC000091647783 180215816 /nfs/dbraw/zinc/21/58/16/180215816.db2.gz CUHSXABZLCLANL-OAHLLOKOSA-N 1 0 278.444 2.205 10 0 CEAERO Cc1cc(CC(=O)C2([NH+](C)C)CCC(C)CC2)n(C)n1 ZINC000091648176 180215860 /nfs/dbraw/zinc/21/58/60/180215860.db2.gz ICYBEDXJGVFEBL-UHFFFAOYSA-N 1 0 277.412 2.351 10 0 CEAERO CC1CCC([C@@H](N)C2CCOCC2)([NH+](C)C)CC1 ZINC000091648704 180216301 /nfs/dbraw/zinc/21/63/01/180216301.db2.gz MDLSGJVYPLSKRS-BLZCZZARSA-N 1 0 254.418 2.251 10 0 CEAERO CC(C)n1ncnc1C[C@@H](O)C1([NH+](C)C)CCCCCC1 ZINC000091653784 180217440 /nfs/dbraw/zinc/21/74/40/180217440.db2.gz XYHAPGYDSFAVQA-CQSZACIVSA-N 1 0 294.443 2.417 10 0 CEAERO CC[C@H]([NH2+]C[C@H]1CN2CCC[C@@H]2CO1)c1ccc(O)cc1 ZINC000091662342 180220073 /nfs/dbraw/zinc/22/00/73/180220073.db2.gz UYJRFQRZAJLNPT-PVAVHDDUSA-N 1 0 290.407 2.296 10 0 CEAERO Cc1ccsc1[C@@H](C)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000091667212 180223632 /nfs/dbraw/zinc/22/36/32/180223632.db2.gz LHRUTDRVDAFBQV-VXGBXAGGSA-N 1 0 254.399 2.038 10 0 CEAERO O[C@H]1COCC[C@H]1[NH2+]C1CCC(C2CCC2)CC1 ZINC000624239727 350241929 /nfs/dbraw/zinc/24/19/29/350241929.db2.gz RYYMXRQZVRGWKQ-CVSAEHQPSA-N 1 0 253.386 2.085 10 0 CEAERO CCN[C@@H](CC[NH+](CC)CC)c1cccnc1N ZINC000091716694 180232484 /nfs/dbraw/zinc/23/24/84/180232484.db2.gz HTPIYDWBFRGABA-ZDUSSCGKSA-N 1 0 250.390 2.046 10 0 CEAERO CCN[C@@H](CC[NH+](CC)CC)c1cnn(CC)c1 ZINC000091716630 180232661 /nfs/dbraw/zinc/23/26/61/180232661.db2.gz MAZYRXMFCNJLPG-AWEZNQCLSA-N 1 0 252.406 2.286 10 0 CEAERO CC[NH2+][C@@H](c1cccc2cnccc21)[C@H]1CN(C)CCO1 ZINC000091718732 180233128 /nfs/dbraw/zinc/23/31/28/180233128.db2.gz XQKOMPNYPXGISA-SJORKVTESA-N 1 0 285.391 2.216 10 0 CEAERO CCCOc1ccc([C@H]([NH2+]CC)[C@@H]2CN(C)CCO2)cc1 ZINC000091718766 180233396 /nfs/dbraw/zinc/23/33/96/180233396.db2.gz YRLMTSNKKHCLEF-IRXDYDNUSA-N 1 0 292.423 2.457 10 0 CEAERO CC[NH2+][C@@H](c1cccc(C)c1C)[C@H]1CN(C)CCO1 ZINC000091718704 180233603 /nfs/dbraw/zinc/23/36/03/180233603.db2.gz XNNBSYPMLDSLJT-CVEARBPZSA-N 1 0 262.397 2.285 10 0 CEAERO CCC[NH2+][C@H](c1ccc(C)cc1)[C@@H]1CN(C)CCO1 ZINC000091719235 180234234 /nfs/dbraw/zinc/23/42/34/180234234.db2.gz IFUKMIUUNGCWHB-JKSUJKDBSA-N 1 0 262.397 2.366 10 0 CEAERO CCC[NH2+][C@@H](c1cc(F)cc(F)c1)[C@H]1CN(C)CCO1 ZINC000091719280 180234336 /nfs/dbraw/zinc/23/43/36/180234336.db2.gz BXENFVHRBAJWAJ-CABCVRRESA-N 1 0 284.350 2.336 10 0 CEAERO CCC[NH2+][C@@H](Cc1ncc(C)c(OC)c1C)CN(C)C ZINC000091719918 180234370 /nfs/dbraw/zinc/23/43/70/180234370.db2.gz FPYMRTCRNIROHL-AWEZNQCLSA-N 1 0 279.428 2.179 10 0 CEAERO CCC[NH2+][C@@H](c1ccc(OC)cc1C)[C@@H]1CN(C)CCO1 ZINC000091719554 180234586 /nfs/dbraw/zinc/23/45/86/180234586.db2.gz WRYPKBQDIQLRBQ-IRXDYDNUSA-N 1 0 292.423 2.375 10 0 CEAERO CCCOc1ccc([C@H](C)[NH2+][C@@H]2CCOC[C@@H]2O)cc1 ZINC000624236153 350239175 /nfs/dbraw/zinc/23/91/75/350239175.db2.gz XGXFRVPLUDJBEU-MAZHCROVSA-N 1 0 279.380 2.276 10 0 CEAERO CC(C)C[C@@H]1CCC[C@H]([NH2+][C@H]2CCOC[C@@H]2O)C1 ZINC000624238271 350241209 /nfs/dbraw/zinc/24/12/09/350241209.db2.gz NUIPSLKHJXZGDY-AJNGGQMLSA-N 1 0 255.402 2.331 10 0 CEAERO C[NH2+][C@H](Cc1cc(C)ccc1C)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721245 180238240 /nfs/dbraw/zinc/23/82/40/180238240.db2.gz UZYDKVROJORYRA-KURKYZTESA-N 1 0 288.435 2.297 10 0 CEAERO CC[NH2+][C@H](c1cc(F)ccc1F)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721547 180238276 /nfs/dbraw/zinc/23/82/76/180238276.db2.gz PWMLFIICSASRAC-DAXOMENPSA-N 1 0 296.361 2.479 10 0 CEAERO C[C@@H]([NH3+])c1cccn1CC(=O)Nc1ccc(F)cc1 ZINC000091799855 180259350 /nfs/dbraw/zinc/25/93/50/180259350.db2.gz XTIXBHMDLIAGFJ-SNVBAGLBSA-N 1 0 261.300 2.286 10 0 CEAERO CCc1ccc(C(=O)N2CCC[C@@H](CC[NH3+])C2)o1 ZINC000091762777 180248526 /nfs/dbraw/zinc/24/85/26/180248526.db2.gz BRABGGSMKXRUDV-NSHDSACASA-N 1 0 250.342 2.043 10 0 CEAERO CCc1ccc(C(=O)NC[C@H]2CCCC[C@H]2C[NH3+])o1 ZINC000091777356 180251618 /nfs/dbraw/zinc/25/16/18/180251618.db2.gz BZZJHMXCYRUPRA-NWDGAFQWSA-N 1 0 264.369 2.337 10 0 CEAERO COC(=O)c1ccc([C@@H](C)N2CCC[C@@H]2C[NH+](C)C)o1 ZINC000091782257 180253333 /nfs/dbraw/zinc/25/33/33/180253333.db2.gz VCQIDTXXZFBXEH-VXGBXAGGSA-N 1 0 280.368 2.153 10 0 CEAERO C[NH2+][C@H](C)c1cccn1Cc1cn2ccccc2n1 ZINC000091800984 180259498 /nfs/dbraw/zinc/25/94/98/180259498.db2.gz GHAILAHBWGAVLN-GFCCVEGCSA-N 1 0 254.337 2.465 10 0 CEAERO COC(=O)c1ccc([C@H](C)N(C)C[C@@H]2CC[N@H+](C)C2)o1 ZINC000091782527 180254586 /nfs/dbraw/zinc/25/45/86/180254586.db2.gz MIZFWIPRESLSSS-NWDGAFQWSA-N 1 0 280.368 2.011 10 0 CEAERO Cc1ccc(C)n1NC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000091787762 180256636 /nfs/dbraw/zinc/25/66/36/180256636.db2.gz PMVSZPLNJVCLKZ-OAHLLOKOSA-N 1 0 257.337 2.049 10 0 CEAERO CC(C)(C)[C@H](CC[NH3+])CCC(=O)Nn1cccc1 ZINC000091787583 180256658 /nfs/dbraw/zinc/25/66/58/180256658.db2.gz MLXJXVGGUGQTAZ-LBPRGKRZSA-N 1 0 251.374 2.350 10 0 CEAERO CC[NH2+][C@@H](C)c1sc([C@H]2CN(C)CCO2)nc1C ZINC000091722424 180240187 /nfs/dbraw/zinc/24/01/87/180240187.db2.gz VEIGEHNJENXWKP-GXSJLCMTSA-N 1 0 269.414 2.125 10 0 CEAERO CC[NH2+][C@H]1CCCc2nc([C@@H]3CN(C)CCO3)sc21 ZINC000091722467 180240195 /nfs/dbraw/zinc/24/01/95/180240195.db2.gz SXOIIJBXNRBQRX-JQWIXIFHSA-N 1 0 281.425 2.133 10 0 CEAERO O[C@@H](CN[C@@H]1CCc2ccc(F)cc21)C[NH+]1CCCCC1 ZINC000151302013 539781119 /nfs/dbraw/zinc/78/11/19/539781119.db2.gz VKKODQWSFMSBFS-DOTOQJQBSA-N 1 0 292.398 2.249 10 0 CEAERO Cc1nc([C@@H]2CN(C)CCO2)sc1C[NH2+]C(C)(C)C ZINC000091723156 180241401 /nfs/dbraw/zinc/24/14/01/180241401.db2.gz NYKDYMGDIXIZLQ-NSHDSACASA-N 1 0 283.441 2.343 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)c2ccc(OC)cc2)CC1 ZINC000091854463 180274741 /nfs/dbraw/zinc/27/47/41/180274741.db2.gz SNZUKWKIUQVXIO-UHFFFAOYSA-N 1 0 276.380 2.298 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000091854497 180274797 /nfs/dbraw/zinc/27/47/97/180274797.db2.gz UOVLFNDNERQYKY-UHFFFAOYSA-N 1 0 290.363 2.018 10 0 CEAERO CC[NH2+][C@@H](C)c1ccn(CC(=O)NCCC(C)C)c1 ZINC000091805169 180259868 /nfs/dbraw/zinc/25/98/68/180259868.db2.gz OEFWEJIVZJRMKE-ZDUSSCGKSA-N 1 0 265.401 2.321 10 0 CEAERO CCC[NH2+][C@H](C)c1cccn1CC(=O)N(C)CC ZINC000091802980 180259872 /nfs/dbraw/zinc/25/98/72/180259872.db2.gz LDKTXOXVYDDAAM-GFCCVEGCSA-N 1 0 251.374 2.027 10 0 CEAERO CC[NH2+][C@H](C)c1ccn(CC(=O)N(C)C(C)C)c1 ZINC000091805249 180260943 /nfs/dbraw/zinc/26/09/43/180260943.db2.gz GIDKXJFKHCJZSV-GFCCVEGCSA-N 1 0 251.374 2.025 10 0 CEAERO CCC[NH2+][C@@H](CC)c1ccn(CCCS(C)(=O)=O)c1 ZINC000091817618 180263124 /nfs/dbraw/zinc/26/31/24/180263124.db2.gz QXRSLRMYRIQOGY-AWEZNQCLSA-N 1 0 286.441 2.374 10 0 CEAERO CC[C@H]([NH2+]C)c1ccn(CC(=O)N(C)C(C)C)c1 ZINC000091816775 180263126 /nfs/dbraw/zinc/26/31/26/180263126.db2.gz AUTPZPCPXCBJFH-ZDUSSCGKSA-N 1 0 251.374 2.025 10 0 CEAERO CCC[C@@H]([NH3+])c1ccn(CC(=O)N[C@H](C)C(C)C)c1 ZINC000091820984 180263973 /nfs/dbraw/zinc/26/39/73/180263973.db2.gz OXASIESQERTWNU-TZMCWYRMSA-N 1 0 265.401 2.449 10 0 CEAERO CC(C)[C@@H]([NH3+])c1ccn(CC(=O)N(C)C(C)C)c1 ZINC000091825936 180264465 /nfs/dbraw/zinc/26/44/65/180264465.db2.gz DEDROQXOJRJHOK-CQSZACIVSA-N 1 0 251.374 2.011 10 0 CEAERO CCC(C)(C)NC(=O)Cn1ccc([C@@H]([NH3+])C(C)C)c1 ZINC000091826075 180265155 /nfs/dbraw/zinc/26/51/55/180265155.db2.gz PFRBMGYPEQPTRE-AWEZNQCLSA-N 1 0 265.401 2.449 10 0 CEAERO CC(C)[C@H]([NH3+])c1ccn(CC(=O)NC(C)(C)C)c1 ZINC000091826010 180265190 /nfs/dbraw/zinc/26/51/90/180265190.db2.gz OXDJDVCJMQKOET-ZDUSSCGKSA-N 1 0 251.374 2.059 10 0 CEAERO CN(C1CCC([NH3+])CC1)S(=O)(=O)/C=C/c1ccccc1 ZINC000091845951 180270268 /nfs/dbraw/zinc/27/02/68/180270268.db2.gz IOWUESHTCSGCTE-VAWYXSNFSA-N 1 0 294.420 2.189 10 0 CEAERO CCN(C(=O)c1ccc(C)nc1)C1CCC([NH3+])CC1 ZINC000091850403 180272099 /nfs/dbraw/zinc/27/20/99/180272099.db2.gz PNGXWQPTDVZVQF-UHFFFAOYSA-N 1 0 261.369 2.122 10 0 CEAERO CC1(C)CCC[C@@](O)(C2(C[NH3+])CCOCC2)CC1 ZINC000091923512 180287513 /nfs/dbraw/zinc/28/75/13/180287513.db2.gz NIASLOIRTQFTNI-HNNXBMFYSA-N 1 0 255.402 2.463 10 0 CEAERO C[C@@H]1CCC[C@](C[NH3+])(C2(O)CN(C(=O)OC(C)(C)C)C2)C1 ZINC000091925236 180287684 /nfs/dbraw/zinc/28/76/84/180287684.db2.gz YCIUASMRHBUCHG-DOMZBBRYSA-N 1 0 298.427 2.123 10 0 CEAERO Cc1nc(Cc2nc3ccccc3[nH]2)sc1CC[NH3+] ZINC000091960321 180292200 /nfs/dbraw/zinc/29/22/00/180292200.db2.gz GIXGDPIZPWKCHU-UHFFFAOYSA-N 1 0 272.377 2.420 10 0 CEAERO CN(C(=O)N1CCCCC1)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000091969547 180294423 /nfs/dbraw/zinc/29/44/23/180294423.db2.gz QNEMSZSZLICENG-QWHCGFSZSA-N 1 0 253.390 2.042 10 0 CEAERO CC[NH2+]C1CCC(N(C)C(=O)NC(C)(C)C)CC1 ZINC000091869828 180277005 /nfs/dbraw/zinc/27/70/05/180277005.db2.gz CIOSRKDLKYXWCB-UHFFFAOYSA-N 1 0 255.406 2.347 10 0 CEAERO CCC[NH2+]C1CCC(N(C)C(=O)[C@H]2C[C@H]2C)CC1 ZINC000091869716 180277104 /nfs/dbraw/zinc/27/71/04/180277104.db2.gz BDWQTWVNBWBGJD-RYSNWHEDSA-N 1 0 252.402 2.412 10 0 CEAERO C[NH2+]C1CCC(N(C)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000091869991 180277283 /nfs/dbraw/zinc/27/72/83/180277283.db2.gz QSPJSWSKTXMXPA-UHFFFAOYSA-N 1 0 296.436 2.146 10 0 CEAERO C[NH2+]C1CCC(N(C)Cc2csc(NC(C)=O)n2)CC1 ZINC000091872831 180277888 /nfs/dbraw/zinc/27/78/88/180277888.db2.gz PPSIZNLIRBILIP-UHFFFAOYSA-N 1 0 296.440 2.064 10 0 CEAERO C[C@](O)(c1ccccc1Cl)C1(C[NH3+])CCOCC1 ZINC000091905779 180283814 /nfs/dbraw/zinc/28/38/14/180283814.db2.gz YEMMNTCMPUNLTC-ZDUSSCGKSA-N 1 0 269.772 2.303 10 0 CEAERO CC[C@](C)(C[NH3+])[C@H](O)c1cnn(-c2ccccc2)c1 ZINC000091909364 180284677 /nfs/dbraw/zinc/28/46/77/180284677.db2.gz VYEYRIPVTAFPKU-HUUCEWRRSA-N 1 0 259.353 2.281 10 0 CEAERO [NH3+]C[C@]1([C@H](O)c2ccsc2)COc2ccccc2C1 ZINC000091909757 180284812 /nfs/dbraw/zinc/28/48/12/180284812.db2.gz FBDDDIBJWPLDTP-CABCVRRESA-N 1 0 275.373 2.362 10 0 CEAERO NC(=[NH2+])COc1ccccc1NC(=O)N1CCCCC1 ZINC000091969877 180294931 /nfs/dbraw/zinc/29/49/31/180294931.db2.gz OIVNQMBXMSGVRT-UHFFFAOYSA-N 1 0 276.340 2.019 10 0 CEAERO [NH3+]CC1([C@H](O)c2ccc3c(c2)OCO3)CCCCC1 ZINC000091910504 180285269 /nfs/dbraw/zinc/28/52/69/180285269.db2.gz BNMBJODEWSMKCP-CQSZACIVSA-N 1 0 263.337 2.358 10 0 CEAERO [NH3+]C[C@]1([C@H](O)c2cccc(F)c2)COc2ccccc2C1 ZINC000091910833 180285291 /nfs/dbraw/zinc/28/52/91/180285291.db2.gz DDGYQCRWLMKVIV-SJORKVTESA-N 1 0 287.334 2.439 10 0 CEAERO [NH3+]C[C@]1([C@H](O)C2CCOCC2)CCCc2ccccc21 ZINC000091913462 180285304 /nfs/dbraw/zinc/28/53/04/180285304.db2.gz NLQBZJIHHJDTKL-IAGOWNOFSA-N 1 0 275.392 2.007 10 0 CEAERO [NH3+]C[C@@]1([C@H](O)Cc2ccccc2)CCc2ccccc21 ZINC000091914001 180285818 /nfs/dbraw/zinc/28/58/18/180285818.db2.gz LJXCZTYXKIRPTR-MSOLQXFVSA-N 1 0 267.372 2.433 10 0 CEAERO CC(C)[C@H]1C[C@@](O)(C2(C[NH3+])Cc3ccccc3C2)CCO1 ZINC000091918915 180286817 /nfs/dbraw/zinc/28/68/17/180286817.db2.gz UMADANARLDARRZ-SJLPKXTDSA-N 1 0 289.419 2.296 10 0 CEAERO CC(C)C1CCC(C[NH3+])([C@@H](O)c2ccncn2)CC1 ZINC000091918324 180286946 /nfs/dbraw/zinc/28/69/46/180286946.db2.gz AWMPYOVDQLMTSO-BLZCZZARSA-N 1 0 263.385 2.301 10 0 CEAERO CCN(C(=O)N1CCCCCC1)[C@H]1CCC[NH2+]C1 ZINC000091971169 180295095 /nfs/dbraw/zinc/29/50/95/180295095.db2.gz GZZNGASTDGLQGJ-ZDUSSCGKSA-N 1 0 253.390 2.056 10 0 CEAERO CCC[N@H+](C[C@H]1CN(C)CCO1)C1(CN)CCCCCC1 ZINC000092054906 180314615 /nfs/dbraw/zinc/31/46/15/180314615.db2.gz JNYGTPURVQYGBI-MRXNPFEDSA-N 1 0 297.487 2.081 10 0 CEAERO C[C@@H]1CC[C@H](C[NH3+])CN1C(=O)N1CCCCCC1 ZINC000091971662 180295729 /nfs/dbraw/zinc/29/57/29/180295729.db2.gz VGJDMVVOMUAXJR-CHWSQXEVSA-N 1 0 253.390 2.042 10 0 CEAERO CCN(C(=O)N1CCC[C@@H](C)C1)[C@@](C)(CC)C[NH3+] ZINC000091972931 180295860 /nfs/dbraw/zinc/29/58/60/180295860.db2.gz LOVURJQMGDDUHM-OCCSQVGLSA-N 1 0 255.406 2.288 10 0 CEAERO CCN(C(=O)N1CCC(C)CC1)[C@@](C)(CC)C[NH3+] ZINC000091972933 180296144 /nfs/dbraw/zinc/29/61/44/180296144.db2.gz GUPCHRUZYVDEBM-AWEZNQCLSA-N 1 0 255.406 2.288 10 0 CEAERO C[C@H](c1ccncc1)[N@H+](C)C[C@H](O)COC(C)(C)C ZINC000091986631 180298562 /nfs/dbraw/zinc/29/85/62/180298562.db2.gz GNSRSKCKACCXKK-OCCSQVGLSA-N 1 0 266.385 2.250 10 0 CEAERO CC[C@@H]1CN(C(=O)N2CCC(C)CC2)[C@H](CC)C[NH2+]1 ZINC000091991341 180299837 /nfs/dbraw/zinc/29/98/37/180299837.db2.gz YNISVJSJICHWHG-ZIAGYGMSSA-N 1 0 267.417 2.301 10 0 CEAERO C[C@H]1CCCN(C(=O)N2CC[NH2+]CC23CCCCC3)C1 ZINC000091991392 180299935 /nfs/dbraw/zinc/29/99/35/180299935.db2.gz CFPGPUMXPGNAHI-AWEZNQCLSA-N 1 0 279.428 2.446 10 0 CEAERO CCN(C(=O)N1CCC[C@H](C)C1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000091991524 180300098 /nfs/dbraw/zinc/30/00/98/180300098.db2.gz OAMBLJYKEXUTFE-BFHYXJOUSA-N 1 0 267.417 2.288 10 0 CEAERO C[C@@H]1CCCN(C(=O)Nc2cccc(F)c2C(N)=[NH2+])C1 ZINC000091993309 180300538 /nfs/dbraw/zinc/30/05/38/180300538.db2.gz JZLCXPKIBNAAEK-SECBINFHSA-N 1 0 278.331 2.374 10 0 CEAERO CC[NH2+]Cc1nc(C)ccc1OCc1cc(C)no1 ZINC000091994923 180301031 /nfs/dbraw/zinc/30/10/31/180301031.db2.gz JWIHXQYUYGZWDU-UHFFFAOYSA-N 1 0 261.325 2.375 10 0 CEAERO Cc1ccc(OC[C@@H](O)C(F)(F)F)c(C[NH2+]C(C)C)n1 ZINC000091995547 180302197 /nfs/dbraw/zinc/30/21/97/180302197.db2.gz MXXBOKJAQAUSLN-GFCCVEGCSA-N 1 0 292.301 2.190 10 0 CEAERO CC[C@@H](C)NC(=O)COc1ccc(C)nc1C[NH2+]C(C)C ZINC000091995625 180302378 /nfs/dbraw/zinc/30/23/78/180302378.db2.gz NVDZYSVDKHDALK-GFCCVEGCSA-N 1 0 293.411 2.182 10 0 CEAERO Cc1ccc(OCCc2cccnc2)c(C[C@H](C)[NH3+])n1 ZINC000091999875 180303829 /nfs/dbraw/zinc/30/38/29/180303829.db2.gz IFOCQWNEBBYNDO-LBPRGKRZSA-N 1 0 271.364 2.296 10 0 CEAERO Cc1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1N ZINC000092005572 180305773 /nfs/dbraw/zinc/30/57/73/180305773.db2.gz YNFLQEYLPVXTPJ-CABCVRRESA-N 1 0 259.397 2.246 10 0 CEAERO Cc1c(Cl)ncnc1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092023770 180308700 /nfs/dbraw/zinc/30/87/00/180308700.db2.gz VTAUADPBDRVWLA-MNOVXSKESA-N 1 0 266.776 2.111 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC000092133179 180330698 /nfs/dbraw/zinc/33/06/98/180330698.db2.gz NYYCXLZGBURDHE-FZMZJTMJSA-N 1 0 266.360 2.495 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)Nc1ccc(OC)c(OC(F)F)c1 ZINC000092133753 180331824 /nfs/dbraw/zinc/33/18/24/180331824.db2.gz CKSSAQYEYZGGIJ-QMMMGPOBSA-N 1 0 288.294 2.091 10 0 CEAERO CCC(CC)N(CC(F)(F)F)C(=O)[C@H](C)C[NH2+]C ZINC000092134522 180332125 /nfs/dbraw/zinc/33/21/25/180332125.db2.gz XEVCVRJGGVZIFT-SECBINFHSA-N 1 0 268.323 2.421 10 0 CEAERO c1ccc(OCC[NH+]2CCC(Nc3cccnn3)CC2)cc1 ZINC000105804535 186072512 /nfs/dbraw/zinc/07/25/12/186072512.db2.gz ZSHUOSNEUHUNKQ-UHFFFAOYSA-N 1 0 298.390 2.432 10 0 CEAERO C[C@H]1C[NH+](CCC(=O)Nc2ccc(F)c(N)c2)C[C@@H]1C ZINC000092080562 180318865 /nfs/dbraw/zinc/31/88/65/180318865.db2.gz BAMGWINVPBFNOH-QWRGUYRKSA-N 1 0 279.359 2.324 10 0 CEAERO C[C@H]1CN(c2nc3c(cc2C(N)=[NH2+])CCCC3)C[C@@H]1C ZINC000092085665 180320463 /nfs/dbraw/zinc/32/04/63/180320463.db2.gz LCUZTYNWOXSXFH-QWRGUYRKSA-N 1 0 272.396 2.337 10 0 CEAERO C[C@H]1CN(c2ccc(C[NH2+]C(C)(C)C)nn2)C[C@@H]1C ZINC000092089034 180321749 /nfs/dbraw/zinc/32/17/49/180321749.db2.gz FGFHXYLOARUYLX-RYUDHWBXSA-N 1 0 262.401 2.457 10 0 CEAERO CC[NH+](CC)[C@H](CNC(=O)CC[C@H](C)O)c1ccccc1 ZINC000092155727 180335223 /nfs/dbraw/zinc/33/52/23/180335223.db2.gz GCYRVGAKKVIPEM-GOEBONIOSA-N 1 0 292.423 2.347 10 0 CEAERO CC(C)[NH2+][C@@](C)(CCC[N@@H+]1C[C@H](C)[C@H](C)C1)C(=O)[O-] ZINC000092087729 180321846 /nfs/dbraw/zinc/32/18/46/180321846.db2.gz PXYRVFWJEOSNMO-GUTXKFCHSA-N 1 0 270.417 2.196 10 0 CEAERO CCCC1(C(=O)N2C[C@H](C)[C@@H](C)C2)CC[NH2+]CC1 ZINC000092090523 180322122 /nfs/dbraw/zinc/32/21/22/180322122.db2.gz YSJQMNAHRYBFCP-STQMWFEESA-N 1 0 252.402 2.271 10 0 CEAERO CCOc1ccc(NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)cc1OCC ZINC000092201359 180342918 /nfs/dbraw/zinc/34/29/18/180342918.db2.gz MLUIKECYWMBXNT-VXGBXAGGSA-N 1 0 290.363 2.326 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)Nc2cccc3cnccc32)C1 ZINC000092202627 180343347 /nfs/dbraw/zinc/34/33/47/180343347.db2.gz PECIWZUBAHOJHI-PWSUYJOCSA-N 1 0 253.305 2.077 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)N[C@H](c2ccccc2)C2CC2)C1 ZINC000092203428 180343353 /nfs/dbraw/zinc/34/33/53/180343353.db2.gz DNONNYCNGWQBKR-RRFJBIMHSA-N 1 0 256.349 2.157 10 0 CEAERO CCN(CC)c1ccc(NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)cc1 ZINC000092202581 180343531 /nfs/dbraw/zinc/34/35/31/180343531.db2.gz XHQWBOWSJZYSOQ-CHWSQXEVSA-N 1 0 273.380 2.375 10 0 CEAERO CC[C@H](NC(=O)[C@H]1C=C[C@@H]([NH3+])C1)c1ccc(OC)cc1 ZINC000092203311 180343556 /nfs/dbraw/zinc/34/35/56/180343556.db2.gz DHKVANCEMBVYSN-GUTXKFCHSA-N 1 0 274.364 2.166 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)Nc2cccc(-n3cccc3)c2)C1 ZINC000092203833 180343714 /nfs/dbraw/zinc/34/37/14/180343714.db2.gz QJJLHMPUQHDMOL-QWHCGFSZSA-N 1 0 267.332 2.319 10 0 CEAERO CSc1ccc(CN(C)C(=O)[C@@H]2C=C[C@@H]([NH3+])C2)cc1 ZINC000092204426 180343742 /nfs/dbraw/zinc/34/37/42/180343742.db2.gz YALXEJWLLJSFEN-CHWSQXEVSA-N 1 0 276.405 2.270 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)N2CC=C(c3ccccc3)CC2)C1 ZINC000092204772 180343844 /nfs/dbraw/zinc/34/38/44/180343844.db2.gz ABXCQYMRODYAHH-CVEARBPZSA-N 1 0 268.360 2.206 10 0 CEAERO CC[C@@H]1c2ccsc2CCN1C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092205061 180344316 /nfs/dbraw/zinc/34/43/16/180344316.db2.gz XKHRCGLUGFXYKY-NQBHXWOUSA-N 1 0 276.405 2.487 10 0 CEAERO C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1Cc2ccccc2S1 ZINC000092231986 180348478 /nfs/dbraw/zinc/34/84/78/180348478.db2.gz RCUBVHCDBAEHBI-ZFWWWQNUSA-N 1 0 290.432 2.304 10 0 CEAERO [NH3+]CCCc1noc([C@H]2Cc3ccccc3S2)n1 ZINC000092234134 180349382 /nfs/dbraw/zinc/34/93/82/180349382.db2.gz JDCCUETWQVANBB-LLVKDONJSA-N 1 0 261.350 2.350 10 0 CEAERO CN(C(=O)[C@H]1CSc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000092239454 180351114 /nfs/dbraw/zinc/35/11/14/180351114.db2.gz NWBZKUIHMZZDPR-AAEUAGOBSA-N 1 0 276.405 2.086 10 0 CEAERO CCN(C)CC[NH2+]C[C@@H]1Cc2ccccc2S1 ZINC000092244052 180352200 /nfs/dbraw/zinc/35/22/00/180352200.db2.gz FEGIMEQXLYEVBZ-ZDUSSCGKSA-N 1 0 250.411 2.245 10 0 CEAERO Cn1ccnc1CC[NH2+]C[C@@H]1CSc2ccccc21 ZINC000092275334 180356435 /nfs/dbraw/zinc/35/64/35/180356435.db2.gz MZELTBCYYUZKCW-GFCCVEGCSA-N 1 0 273.405 2.442 10 0 CEAERO C[C@H]1CC[NH2+]CCN1CCSc1ccccc1 ZINC000092273141 180356762 /nfs/dbraw/zinc/35/67/62/180356762.db2.gz WSHJRYOQDNYGNB-ZDUSSCGKSA-N 1 0 250.411 2.463 10 0 CEAERO c1cn(CCCC[NH2+]C[C@@H]2COc3ccccc32)cn1 ZINC000092300525 180358652 /nfs/dbraw/zinc/35/86/52/180358652.db2.gz BSCZMJNMDCYNNA-CQSZACIVSA-N 1 0 271.364 2.429 10 0 CEAERO c1ccc(CC[NH2+]C[C@@H]2COc3ccccc32)nc1 ZINC000092299214 180358804 /nfs/dbraw/zinc/35/88/04/180358804.db2.gz VLKZPJAZXBSLOO-CYBMUJFWSA-N 1 0 254.333 2.390 10 0 CEAERO CC[NH2+]C1CCN(C[C@H]2COc3ccccc32)CC1 ZINC000092298006 180358920 /nfs/dbraw/zinc/35/89/20/180358920.db2.gz XVBOXFDZKFQRFF-ZDUSSCGKSA-N 1 0 260.381 2.237 10 0 CEAERO Fc1cccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000105883331 186083025 /nfs/dbraw/zinc/08/30/25/186083025.db2.gz ARUJPCJFXNVJHH-CQSZACIVSA-N 1 0 274.343 2.329 10 0 CEAERO Cc1ccc(Cc2noc([C@H]3C=C[C@H]([NH3+])C3)n2)cc1 ZINC000092181691 180338731 /nfs/dbraw/zinc/33/87/31/180338731.db2.gz SXNPRJBKLVLGTE-STQMWFEESA-N 1 0 255.321 2.340 10 0 CEAERO CCC[NH2+][C@@H](CN1C(=O)C[C@H](C)C1=O)c1ccccc1C ZINC000105832481 186075205 /nfs/dbraw/zinc/07/52/05/186075205.db2.gz CTJRPTWUWYKRCX-ZFWWWQNUSA-N 1 0 288.391 2.431 10 0 CEAERO COCC[N@@H+]1CCN(Cc2csc(C(C)C)n2)C[C@@H]1C ZINC000105833772 186077162 /nfs/dbraw/zinc/07/71/62/186077162.db2.gz RGFCAGIOOAOBMO-ZDUSSCGKSA-N 1 0 297.468 2.419 10 0 CEAERO CCCOCc1nc(CC)c(CC[NH3+])c(CC)n1 ZINC000092308305 180361429 /nfs/dbraw/zinc/36/14/29/180361429.db2.gz PYZGEJWPKWXPKI-UHFFFAOYSA-N 1 0 251.374 2.029 10 0 CEAERO CCN1CCC[C@@H]1C[NH2+]CCOc1ccc(OC)cc1 ZINC000105935685 186093479 /nfs/dbraw/zinc/09/34/79/186093479.db2.gz UEXGUOHLXBGBJL-CQSZACIVSA-N 1 0 278.396 2.148 10 0 CEAERO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1c(C)nn(C)c1C ZINC000092325247 180362832 /nfs/dbraw/zinc/36/28/32/180362832.db2.gz JEHSVQLEEWKFLX-KBPBESRZSA-N 1 0 251.374 2.084 10 0 CEAERO CC[C@@]1(C(=O)N[C@H](C)c2c(C)noc2C)CCC[NH2+]C1 ZINC000092329487 180363523 /nfs/dbraw/zinc/36/35/23/180363523.db2.gz WTGFUULDKVDRPH-MEBBXXQBSA-N 1 0 279.384 2.248 10 0 CEAERO Cc1noc(C)c1[C@@H](C)NC(=O)C[C@H](C[NH3+])CC(C)C ZINC000092330046 180363714 /nfs/dbraw/zinc/36/37/14/180363714.db2.gz VORLRROKTQGIRW-ZWNOBZJWSA-N 1 0 281.400 2.480 10 0 CEAERO Cc1noc(C)c1[C@@H](C)NC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000092329973 180363783 /nfs/dbraw/zinc/36/37/83/180363783.db2.gz BWJCGXRUXKGEEW-MFKMUULPSA-N 1 0 279.384 2.391 10 0 CEAERO C[C@@H]1CN(Cc2ccncc2Br)C[C@@H]1[NH+](C)C ZINC000625275279 350450324 /nfs/dbraw/zinc/45/03/24/350450324.db2.gz MWKIDQBRAUVNGA-MFKMUULPSA-N 1 0 298.228 2.226 10 0 CEAERO CCOC(=O)Cc1csc(CC[NH+](CC)CC)n1 ZINC000106100338 186101897 /nfs/dbraw/zinc/10/18/97/186101897.db2.gz NSPXBMWWEFLPPK-UHFFFAOYSA-N 1 0 270.398 2.133 10 0 CEAERO Cc1noc(C)c1[C@H](C)[NH2+]C[C@H](O)COC(C)(C)C ZINC000092339407 180365084 /nfs/dbraw/zinc/36/50/84/180365084.db2.gz BFDCCPSEFHYXBA-CABZTGNLSA-N 1 0 270.373 2.118 10 0 CEAERO Cc1noc(C)c1[C@@H](C)N1CCC[C@H]([NH2+]C(C)C)C1=O ZINC000092342017 180365832 /nfs/dbraw/zinc/36/58/32/180365832.db2.gz LGTGIYZEVXNXRN-YPMHNXCESA-N 1 0 279.384 2.341 10 0 CEAERO CC[C@H]1CSC(NCc2c(C)nn(C)c2C)=[NH+]1 ZINC000092341145 180365916 /nfs/dbraw/zinc/36/59/16/180365916.db2.gz XEKZZWUJENULPJ-JTQLQIEISA-N 1 0 252.387 2.008 10 0 CEAERO Cc1noc(C)c1CN1CCC[NH2+][C@@H](C(C)C)C1 ZINC000092342880 180366328 /nfs/dbraw/zinc/36/63/28/180366328.db2.gz CGIGRQIAMCLKEA-CQSZACIVSA-N 1 0 251.374 2.111 10 0 CEAERO Cc1noc(C)c1CN1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC000092342697 180366407 /nfs/dbraw/zinc/36/64/07/180366407.db2.gz SCMCZSPFKKODDS-INIZCTEOSA-N 1 0 285.391 2.308 10 0 CEAERO Cc1noc(C)c1CN1C[C@@](C)(C2CC2)[NH2+]C[C@@H]1C ZINC000092342887 180366624 /nfs/dbraw/zinc/36/66/24/180366624.db2.gz WBABKOQXCWXLAH-BONVTDFDSA-N 1 0 263.385 2.254 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C(C)C)CN1Cc1c(C)noc1C ZINC000092342735 180366753 /nfs/dbraw/zinc/36/67/53/180366753.db2.gz UFIQDDCURPIYSM-ZFWWWQNUSA-N 1 0 265.401 2.500 10 0 CEAERO Cc1cc(NC(=O)[C@@H]2[NH2+]CCc3ccccc32)ccn1 ZINC000092349791 180367250 /nfs/dbraw/zinc/36/72/50/180367250.db2.gz PIAMLPHMTKLUNO-OAHLLOKOSA-N 1 0 267.332 2.216 10 0 CEAERO CC1(C)[C@H]2C[NH2+]C[C@H]2CN1Cc1cccc(Cl)n1 ZINC000092366946 180368819 /nfs/dbraw/zinc/36/88/19/180368819.db2.gz BVPGTUSOHTZSSY-JQWIXIFHSA-N 1 0 265.788 2.165 10 0 CEAERO COc1ccccc1N(C)Cc1cccc(NN)[nH+]1 ZINC000092369441 180369675 /nfs/dbraw/zinc/36/96/75/180369675.db2.gz BLZAPRBSFAAYGF-UHFFFAOYSA-N 1 0 258.325 2.012 10 0 CEAERO NNc1cccc(Cn2ccnc2-c2cccs2)[nH+]1 ZINC000092370732 180370111 /nfs/dbraw/zinc/37/01/11/180370111.db2.gz LHHZHNFSWOQVNT-UHFFFAOYSA-N 1 0 271.349 2.341 10 0 CEAERO Cc1cccc(CN(C)Cc2cccc(NN)[nH+]2)c1 ZINC000092369819 180370320 /nfs/dbraw/zinc/37/03/20/180370320.db2.gz IFRPRRBRHHYPJI-UHFFFAOYSA-N 1 0 256.353 2.308 10 0 CEAERO CCN1CCC[C@@H]1C[N@H+](C)CC1(O)CCCCC1 ZINC000106379368 186112365 /nfs/dbraw/zinc/11/23/65/186112365.db2.gz PQYXXVPYLRFACC-CQSZACIVSA-N 1 0 254.418 2.098 10 0 CEAERO CCc1nccn1[C@@H]1CCC[N@H+](C[C@@H]2CCCO2)C1 ZINC000105897225 186085307 /nfs/dbraw/zinc/08/53/07/186085307.db2.gz CDVKOHLHYKTFPZ-KGLIPLIRSA-N 1 0 263.385 2.261 10 0 CEAERO COc1ccc2c(c1)[C@H](O)[C@@H]([N@H+](C)CC1CC1)CC2 ZINC000092387825 180374471 /nfs/dbraw/zinc/37/44/71/180374471.db2.gz YZSFTKUMIPDDTD-HOTGVXAUSA-N 1 0 261.365 2.385 10 0 CEAERO CCN(C1C[NH2+]C1)[C@@H]1CCCc2ccc(OC)cc21 ZINC000092387310 180374678 /nfs/dbraw/zinc/37/46/78/180374678.db2.gz NELCRGVCIVETFE-MRXNPFEDSA-N 1 0 260.381 2.366 10 0 CEAERO COC(=O)C[C@@]1([C@H](C)[NH3+])CCCc2ccc(OC)cc21 ZINC000092390621 180375626 /nfs/dbraw/zinc/37/56/26/180375626.db2.gz BCXWPTUMOKHJRR-MEDUHNTESA-N 1 0 277.364 2.180 10 0 CEAERO CC[NH2+]Cc1nc2c([nH]1)CCc1ccc(OC)cc1-2 ZINC000092389111 180375630 /nfs/dbraw/zinc/37/56/30/180375630.db2.gz CWMVHASIQOLIHZ-UHFFFAOYSA-N 1 0 257.337 2.293 10 0 CEAERO Cc1ccc(-c2n[nH]cc2C[NH2+][C@H](CO)C(C)C)o1 ZINC000092392983 180375815 /nfs/dbraw/zinc/37/58/15/180375815.db2.gz FFBLLPCUAWTCFA-GFCCVEGCSA-N 1 0 263.341 2.085 10 0 CEAERO C[C@H]([NH3+])[C@H]1CCCCN1Cc1cc(Cl)ccn1 ZINC000092417200 180381092 /nfs/dbraw/zinc/38/10/92/180381092.db2.gz GWLMDVFULGOTQW-GXFFZTMASA-N 1 0 253.777 2.437 10 0 CEAERO CCNc1cc[nH+]c(COc2ccc(C(N)=O)cc2)c1 ZINC000092420408 180381925 /nfs/dbraw/zinc/38/19/25/180381925.db2.gz DLBSLCJOSNUQGD-UHFFFAOYSA-N 1 0 271.320 2.191 10 0 CEAERO CCNc1cc[nH+]c(Cn2c(C)c(C)sc2=O)c1 ZINC000092419816 180382237 /nfs/dbraw/zinc/38/22/37/180382237.db2.gz FNXABTYHHLFSSA-UHFFFAOYSA-N 1 0 263.366 2.402 10 0 CEAERO CCNc1cc[nH+]c(CN2CCC(COC)CC2)c1 ZINC000092419280 180382490 /nfs/dbraw/zinc/38/24/90/180382490.db2.gz TYYGUQFELBIGSB-UHFFFAOYSA-N 1 0 263.385 2.372 10 0 CEAERO CC(C)[C@H]1CCC(=O)N(Cc2cc(N)cc[nH+]2)CC1 ZINC000092419895 180382587 /nfs/dbraw/zinc/38/25/87/180382587.db2.gz CMGJEZZUJSPBBY-LBPRGKRZSA-N 1 0 261.369 2.449 10 0 CEAERO CCCNc1cc[nH+]c(CN2C(=O)CC(C)(C)C2=O)c1 ZINC000092419925 180382697 /nfs/dbraw/zinc/38/26/97/180382697.db2.gz XWUAEASKWXPGKX-UHFFFAOYSA-N 1 0 275.352 2.189 10 0 CEAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@@H](n1nc(C)nc1C)CC2 ZINC000092386144 180373402 /nfs/dbraw/zinc/37/34/02/180373402.db2.gz LYIBOWQSFVURET-LSDHHAIUSA-N 1 0 272.352 2.091 10 0 CEAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@H](N1CCC(OC)CC1)CC2 ZINC000092385540 180373436 /nfs/dbraw/zinc/37/34/36/180373436.db2.gz XKPCZJAJYXJFLT-IAGOWNOFSA-N 1 0 290.407 2.121 10 0 CEAERO C[NH2+][C@H]1c2cc(OC)ccc2CC[C@@H]1n1cccn1 ZINC000092385989 180373443 /nfs/dbraw/zinc/37/34/43/180373443.db2.gz XXEVSHXXNIAPOC-GJZGRUSLSA-N 1 0 257.337 2.340 10 0 CEAERO C[NH2+][C@H]1c2cc(OC)ccc2CC[C@H]1n1ccnc1 ZINC000092386055 180373630 /nfs/dbraw/zinc/37/36/30/180373630.db2.gz DOYRGZFOGRQMOV-CABCVRRESA-N 1 0 257.337 2.340 10 0 CEAERO COCCC[N@H+](C)[C@]1(CN)CCCc2ccc(OC)cc21 ZINC000092384758 180373868 /nfs/dbraw/zinc/37/38/68/180373868.db2.gz MEKPQJDZXZZRND-KRWDZBQOSA-N 1 0 292.423 2.154 10 0 CEAERO CCOCC[N@H+](CC)C[C@@](C)(O)c1ccccc1 ZINC000107062178 186157560 /nfs/dbraw/zinc/15/75/60/186157560.db2.gz HAKSPLUNOOHTLL-OAHLLOKOSA-N 1 0 251.370 2.253 10 0 CEAERO CC[NH+]1CCC(Cn2c(N)nc3cc(C)cnc32)CC1 ZINC000092558322 180405214 /nfs/dbraw/zinc/40/52/14/180405214.db2.gz KVPHZCUWPGXOGO-UHFFFAOYSA-N 1 0 273.384 2.054 10 0 CEAERO Cc1nc(NCC[NH2+]C2CC2)ccc1Br ZINC000235947431 539801238 /nfs/dbraw/zinc/80/12/38/539801238.db2.gz CEIUAMWPWDOIPP-UHFFFAOYSA-N 1 0 270.174 2.316 10 0 CEAERO CCn1nc(C)c2nc(N)n([C@@H](CC(C)C)C[NH+](C)C)c21 ZINC000092591679 180409561 /nfs/dbraw/zinc/40/95/61/180409561.db2.gz CDADSVBAISIVFT-LBPRGKRZSA-N 1 0 292.431 2.292 10 0 CEAERO CC(C)N1C(=O)C[C@@H]([NH2+][C@H]2CCCc3sccc32)C1=O ZINC000108291578 186212034 /nfs/dbraw/zinc/21/20/34/186212034.db2.gz HPDJSIXMKHEAIA-NWDGAFQWSA-N 1 0 292.404 2.251 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1c(C)cccc1O ZINC000625969569 350616061 /nfs/dbraw/zinc/61/60/61/350616061.db2.gz KAHSVQQTNBJEFO-ZDUSSCGKSA-N 1 0 276.380 2.257 10 0 CEAERO C[NH2+][C@@H](Cc1nc(Cc2ccc(F)cc2)no1)C1CC1 ZINC000109501601 186257125 /nfs/dbraw/zinc/25/71/25/186257125.db2.gz BNQLKARCGLMAMZ-ZDUSSCGKSA-N 1 0 275.327 2.340 10 0 CEAERO CC[NH2+][C@H]1CCCC[C@@H]1c1nc(-c2ncccn2)no1 ZINC000109505487 186257661 /nfs/dbraw/zinc/25/76/61/186257661.db2.gz WKUMDIPRBDAABG-QWRGUYRKSA-N 1 0 273.340 2.162 10 0 CEAERO CNC(=O)c1ccc(N)c(N[C@H](CC(C)C)C[NH+](C)C)c1 ZINC000109532552 186260247 /nfs/dbraw/zinc/26/02/47/186260247.db2.gz LFIPBQDHSYPQRP-CYBMUJFWSA-N 1 0 292.427 2.017 10 0 CEAERO C[C@H]1CN(c2cc(CO)[nH+]c3ccccc32)CCCO1 ZINC000109594750 186264602 /nfs/dbraw/zinc/26/46/02/186264602.db2.gz SZZVHIYNOMOJSY-LBPRGKRZSA-N 1 0 272.348 2.342 10 0 CEAERO Cc1nnc(S[C@@H]2CCCCC[C@@H]2C[NH3+])n1C ZINC000109687055 186268449 /nfs/dbraw/zinc/26/84/49/186268449.db2.gz RODFWICMWVBLDE-GHMZBOCLSA-N 1 0 254.403 2.123 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)Cc1cccnc1 ZINC000109394770 186250231 /nfs/dbraw/zinc/25/02/31/186250231.db2.gz ZYWDZWIPGDZCGW-OAHLLOKOSA-N 1 0 292.427 2.199 10 0 CEAERO C[C@H]([NH2+]CCc1nncn1C)c1cccc(Cl)c1 ZINC000109421107 186251321 /nfs/dbraw/zinc/25/13/21/186251321.db2.gz LIEZHAHRDRJKQN-JTQLQIEISA-N 1 0 264.760 2.362 10 0 CEAERO Cn1cnnc1CC[NH2+][C@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000109422376 186251625 /nfs/dbraw/zinc/25/16/25/186251625.db2.gz VDAFYNDIAWEUJO-MCIONIFRSA-N 1 0 262.401 2.306 10 0 CEAERO Cc1cc(NCCc2nncn2C)c2ccccc2[nH+]1 ZINC000109424476 186251946 /nfs/dbraw/zinc/25/19/46/186251946.db2.gz OHDPZMDMVFJLCF-UHFFFAOYSA-N 1 0 267.336 2.326 10 0 CEAERO Cn1cnnc1CC[NH2+]Cc1csc2ccccc12 ZINC000109422716 186252086 /nfs/dbraw/zinc/25/20/86/186252086.db2.gz JIFRYOTYWUIZQJ-UHFFFAOYSA-N 1 0 272.377 2.362 10 0 CEAERO FC(F)(F)CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCOC2)C1 ZINC000109430952 186252507 /nfs/dbraw/zinc/25/25/07/186252507.db2.gz UZKCNSKJKQQJOA-HBNTYKKESA-N 1 0 267.291 2.255 10 0 CEAERO CCC[C@@H](C(N)=S)[NH+]1CCN(C(=O)C(CC)CC)CC1 ZINC000109463624 186254236 /nfs/dbraw/zinc/25/42/36/186254236.db2.gz FRZXDVJKKJTLSN-ZDUSSCGKSA-N 1 0 299.484 2.022 10 0 CEAERO CCC[C@@H](C(N)=S)[NH+]1CCN(Cc2cccs2)CC1 ZINC000109470296 186254606 /nfs/dbraw/zinc/25/46/06/186254606.db2.gz LPDOZJLJELOCHK-ZDUSSCGKSA-N 1 0 297.493 2.321 10 0 CEAERO CC[C@@H](c1noc(-c2ccsc2)n1)N1CC[NH2+]CC1 ZINC000109474620 186254797 /nfs/dbraw/zinc/25/47/97/186254797.db2.gz DFRQAVIQFIJAFQ-NSHDSACASA-N 1 0 278.381 2.154 10 0 CEAERO CCC[C@@H](c1nc(C)cc(CC)n1)N1CC[NH2+]CC1 ZINC000109476023 186254932 /nfs/dbraw/zinc/25/49/32/186254932.db2.gz GTCJJDLRDHXSNG-AWEZNQCLSA-N 1 0 262.401 2.094 10 0 CEAERO CCc1cc(C2CC2)nc([C@H](CC)N2CC[NH2+]CC2)n1 ZINC000109475873 186255205 /nfs/dbraw/zinc/25/52/05/186255205.db2.gz GMLVGKGHOBWNSU-HNNXBMFYSA-N 1 0 274.412 2.273 10 0 CEAERO CCC[C@H](C)CN1CC[NH+]([C@@H](CCC)C(N)=S)CC1 ZINC000109470178 186255289 /nfs/dbraw/zinc/25/52/89/186255289.db2.gz OGVBGBDRHLMJMA-KBPBESRZSA-N 1 0 285.501 2.495 10 0 CEAERO CCCN[C@H](C[N@H+](CCC(C)C)C1CC1)C(=O)OC ZINC000109999551 186281733 /nfs/dbraw/zinc/28/17/33/186281733.db2.gz MSGXJVAOROZILK-CQSZACIVSA-N 1 0 270.417 2.038 10 0 CEAERO C[C@H]([NH3+])C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000110648348 186310227 /nfs/dbraw/zinc/31/02/27/186310227.db2.gz HHFTXDZZAJFYOD-SRXBQZRASA-N 1 0 294.420 2.046 10 0 CEAERO C[NH+](C)[C@@H]1CCN(c2cc(Cl)ccc2C(N)=S)C1 ZINC000110278335 186289945 /nfs/dbraw/zinc/28/99/45/186289945.db2.gz OCOMDCRQBPXRKW-SNVBAGLBSA-N 1 0 283.828 2.115 10 0 CEAERO COc1ccc([C@H]([NH3+])c2cccc(C)n2)c(OC)c1 ZINC000110474513 186298096 /nfs/dbraw/zinc/29/80/96/186298096.db2.gz ABHKCSHVPOIKEL-HNNXBMFYSA-N 1 0 258.321 2.455 10 0 CEAERO CCCOCc1noc([C@@H](C)[C@@H](CC)[NH2+]CC)n1 ZINC000110470698 186298304 /nfs/dbraw/zinc/29/83/04/186298304.db2.gz LINWDEIEUUPOSP-WDEREUQCSA-N 1 0 255.362 2.488 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](C)c1nc(Cc2nc(C)cs2)no1 ZINC000110470289 186298425 /nfs/dbraw/zinc/29/84/25/186298425.db2.gz QSUYFRLYBACGSQ-RKDXNWHRSA-N 1 0 266.370 2.266 10 0 CEAERO COCC[NH2+]Cc1c(C)nc(-c2cccc(C)n2)nc1C ZINC000110482207 186298824 /nfs/dbraw/zinc/29/88/24/186298824.db2.gz DVUNNKBXEHBOEE-UHFFFAOYSA-N 1 0 286.379 2.200 10 0 CEAERO Cc1ccc(NC(=O)CN2[C@@H](C[NH3+])CCC[C@@H]2C)cc1 ZINC000110480823 186299271 /nfs/dbraw/zinc/29/92/71/186299271.db2.gz RBQZDHJYYRIMLR-DZGCQCFKSA-N 1 0 275.396 2.135 10 0 CEAERO C[NH2+][C@H](C)c1ccc(OC)c(CO[C@H]2CCOC2)c1 ZINC000110526870 186301078 /nfs/dbraw/zinc/30/10/78/186301078.db2.gz VKVMCOBYNLYQCK-RISCZKNCSA-N 1 0 265.353 2.281 10 0 CEAERO [NH3+][C@H]1CC[C@@H]2CN(C(=O)CC3=CCCCC3)C[C@@H]2C1 ZINC000110535012 186301689 /nfs/dbraw/zinc/30/16/89/186301689.db2.gz RFQWXJDWLPWLMT-ILXRZTDVSA-N 1 0 262.397 2.463 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CC3=CCCCC3)C[C@@H]2C1 ZINC000110535015 186302223 /nfs/dbraw/zinc/30/22/23/186302223.db2.gz RFQWXJDWLPWLMT-QLFBSQMISA-N 1 0 262.397 2.463 10 0 CEAERO CC[C@@](C)([NH3+])c1noc([C@H]2COc3ccccc3C2)n1 ZINC000110540947 186302821 /nfs/dbraw/zinc/30/28/21/186302821.db2.gz HBNRGKCNIZHZIE-IAQYHMDHSA-N 1 0 273.336 2.372 10 0 CEAERO [NH3+]Cc1ccc(CC(=O)N[C@H]2C[C@H]2c2ccccc2)cc1 ZINC000110613496 186305351 /nfs/dbraw/zinc/30/53/51/186305351.db2.gz HZTJSIOWRQXLJJ-IRXDYDNUSA-N 1 0 280.371 2.360 10 0 CEAERO [NH3+]Cc1ccc(CC(=O)N2CCCCCCC2)cc1 ZINC000110611935 186305372 /nfs/dbraw/zinc/30/53/72/186305372.db2.gz HEGTUMJVSQGGCQ-UHFFFAOYSA-N 1 0 260.381 2.481 10 0 CEAERO CCOc1cc(N(C)CC[NH+]2CCCC2)c(N)cc1F ZINC000110634728 186308182 /nfs/dbraw/zinc/30/81/82/186308182.db2.gz YYTNTASGACZKOF-UHFFFAOYSA-N 1 0 281.375 2.339 10 0 CEAERO CN[C@@](C)(CCCC[N@@H+]1CCC[C@@H](C)CC1)C(=O)OC ZINC000110809420 186326802 /nfs/dbraw/zinc/32/68/02/186326802.db2.gz WDZMCZONHZJXLC-ZBFHGGJFSA-N 1 0 284.444 2.430 10 0 CEAERO C[C@@H]1C[C@@H](C(=O)N2CCC[C@@H](C)CC2)CC[C@@H]1[NH3+] ZINC000110818780 186327644 /nfs/dbraw/zinc/32/76/44/186327644.db2.gz IOXHAICAALJWGD-MQYQWHSLSA-N 1 0 252.402 2.399 10 0 CEAERO C[N@@H+](CC(=O)Nc1cc(F)ccc1N)CC1CCCC1 ZINC000110832927 186328268 /nfs/dbraw/zinc/32/82/68/186328268.db2.gz NTFKBOQDRKXDJI-UHFFFAOYSA-N 1 0 279.359 2.468 10 0 CEAERO CCCN[C@@](C)(C[N@H+](C)CC1CCCC1)C(=O)OCC ZINC000110840487 186328936 /nfs/dbraw/zinc/32/89/36/186328936.db2.gz FGMGUTHQCJTVPL-INIZCTEOSA-N 1 0 284.444 2.430 10 0 CEAERO C[C@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)N(C)CC1CCCC1 ZINC000110848235 186329237 /nfs/dbraw/zinc/32/92/37/186329237.db2.gz ZTFFUJPQGYWIOP-UBHSHLNASA-N 1 0 252.402 2.399 10 0 CEAERO C[C@@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)N(C)CC1CCCC1 ZINC000110848232 186329596 /nfs/dbraw/zinc/32/95/96/186329596.db2.gz ZTFFUJPQGYWIOP-XBFCOCLRSA-N 1 0 252.402 2.399 10 0 CEAERO COc1ccc(Cl)cc1C(=O)N(C)[C@@H]1CCC[NH2+]C1 ZINC000110927575 186333297 /nfs/dbraw/zinc/33/32/97/186333297.db2.gz CQJMUSARHCMZLE-LLVKDONJSA-N 1 0 282.771 2.173 10 0 CEAERO Cc1ccc(NC(=O)CN(C)[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000110930957 186333302 /nfs/dbraw/zinc/33/33/02/186333302.db2.gz NUIHEWXSZKVECA-LBPRGKRZSA-N 1 0 295.814 2.271 10 0 CEAERO CN(C(=O)c1nccc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000110927043 186333386 /nfs/dbraw/zinc/33/33/86/186333386.db2.gz NTOGRNRXPOLSDN-CYBMUJFWSA-N 1 0 269.348 2.059 10 0 CEAERO CN(Cc1ccc(-n2ccnc2)cc1)[C@H]1CCC[NH2+]C1 ZINC000110930736 186333999 /nfs/dbraw/zinc/33/39/99/186333999.db2.gz UNQHYFANRCUQMR-INIZCTEOSA-N 1 0 270.380 2.056 10 0 CEAERO CCN(CCC(=O)Nc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000110942921 186334266 /nfs/dbraw/zinc/33/42/66/186334266.db2.gz ITVICULRHSYAEY-HNNXBMFYSA-N 1 0 275.396 2.089 10 0 CEAERO [NH3+]CCCCCc1nc(Cc2nc3ccccc3[nH]2)no1 ZINC000110949277 186335240 /nfs/dbraw/zinc/33/52/40/186335240.db2.gz ACIQRKRYXFCOBW-UHFFFAOYSA-N 1 0 285.351 2.208 10 0 CEAERO CC(C)[NH2+]CCc1nc(Cc2nc3ccccc3[nH]2)no1 ZINC000110949222 186335291 /nfs/dbraw/zinc/33/52/91/186335291.db2.gz VLEONQLNIDEJJN-UHFFFAOYSA-N 1 0 285.351 2.077 10 0 CEAERO CCN(CCOc1cccc(C)c1)[C@@H]1CCC[NH2+]C1 ZINC000110944673 186336016 /nfs/dbraw/zinc/33/60/16/186336016.db2.gz CPEPGKWMKFLKEV-OAHLLOKOSA-N 1 0 262.397 2.448 10 0 CEAERO CC(C)CCN(C(=O)c1ccc(NN)[nH+]c1)C1CC1 ZINC000110969491 186337266 /nfs/dbraw/zinc/33/72/66/186337266.db2.gz JNSPVVFHWDMALJ-UHFFFAOYSA-N 1 0 262.357 2.018 10 0 CEAERO CC[C@@H]1CN(C(=O)c2ccc(NC)c(C)c2)CC[N@@H+]1C ZINC000110697078 186313912 /nfs/dbraw/zinc/31/39/12/186313912.db2.gz UOBFVDKGVBTVHC-CQSZACIVSA-N 1 0 275.396 2.203 10 0 CEAERO C[N@@H+]1CCN(Cc2ccc(Cl)cc2N)CC1(C)C ZINC000110704609 186313990 /nfs/dbraw/zinc/31/39/90/186313990.db2.gz WHYXOBFCTMWVAX-UHFFFAOYSA-N 1 0 267.804 2.448 10 0 CEAERO COc1ccc(C(C)=O)cc1CN1CC[N@H+](C)C(C)(C)C1 ZINC000110729419 186317186 /nfs/dbraw/zinc/31/71/86/186317186.db2.gz UDUVOBUWCWULTF-UHFFFAOYSA-N 1 0 290.407 2.424 10 0 CEAERO CC[N@@H+]1CCN(Cc2ccc3c(c2)CCN3)C[C@@H]1C ZINC000110762674 186323184 /nfs/dbraw/zinc/32/31/84/186323184.db2.gz GTYNOZFJIZQPSS-ZDUSSCGKSA-N 1 0 259.397 2.181 10 0 CEAERO CCOC(CC[N@H+](C)C[C@@H]1CCCCO1)OCC ZINC000110785196 186324640 /nfs/dbraw/zinc/32/46/40/186324640.db2.gz OMHFVXMBBOIFCU-ZDUSSCGKSA-N 1 0 259.390 2.277 10 0 CEAERO O[C@H]1C[NH2+]C[C@H]1Oc1ccc(Cl)c2ccccc12 ZINC000111060068 186348882 /nfs/dbraw/zinc/34/88/82/186348882.db2.gz FJCOIVBXUNEJJY-GXTWGEPZSA-N 1 0 263.724 2.205 10 0 CEAERO c1ccc(NC[C@H]2CC[N@H+](Cc3ccncc3)C2)nc1 ZINC000130753641 365988065 /nfs/dbraw/zinc/98/80/65/365988065.db2.gz RZFVZEGOKNTSKB-OAHLLOKOSA-N 1 0 268.364 2.411 10 0 CEAERO Nc1cccc(Cl)c1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000111009588 186341961 /nfs/dbraw/zinc/34/19/61/186341961.db2.gz PLESYFWFMSESIF-SNVBAGLBSA-N 1 0 293.798 2.136 10 0 CEAERO C[NH+](C)CC1CCN(C(=O)c2c(N)cccc2Cl)CC1 ZINC000111010982 186343106 /nfs/dbraw/zinc/34/31/06/186343106.db2.gz MSPXHNTUTSGYCQ-UHFFFAOYSA-N 1 0 295.814 2.336 10 0 CEAERO O=C1CC[C@@H]([NH2+][C@H]2CCSc3c(F)cccc32)CN1 ZINC000111018061 186343965 /nfs/dbraw/zinc/34/39/65/186343965.db2.gz UPJFBHJUABMAQM-SKDRFNHKSA-N 1 0 280.368 2.231 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)NCCc2cccs2)[C@@H](C)C1 ZINC000130791509 365992238 /nfs/dbraw/zinc/99/22/38/365992238.db2.gz PUBSLEJXSZRZSJ-JSGCOSHPSA-N 1 0 295.452 2.319 10 0 CEAERO CC[N@@H+]1CCC[C@H](Nc2ccc(F)cc2C(N)=S)C1 ZINC000111031054 186346963 /nfs/dbraw/zinc/34/69/63/186346963.db2.gz UHIJDJURCNLNON-NSHDSACASA-N 1 0 281.400 2.356 10 0 CEAERO CN(CC1CCOCC1)c1nc2c(cc1C[NH3+])CCCC2 ZINC000111153833 186360459 /nfs/dbraw/zinc/36/04/59/186360459.db2.gz QWRDFPNJUHEXQU-UHFFFAOYSA-N 1 0 289.423 2.282 10 0 CEAERO CNc1ccc(C)cc1C(=O)N(C)CCC[NH+](C)C ZINC000111152025 186360793 /nfs/dbraw/zinc/36/07/93/186360793.db2.gz AZQBZLUIGNZVRD-UHFFFAOYSA-N 1 0 263.385 2.060 10 0 CEAERO C[C@H]1CCC[C@](CN)([N@H+](C)C[C@@H]2CCCOC2)C1 ZINC000111158750 186361876 /nfs/dbraw/zinc/36/18/76/186361876.db2.gz OWKZUWACOADUPB-KKUMJFAQSA-N 1 0 254.418 2.252 10 0 CEAERO CC[NH2+][C@H]1CCCC[C@H]1N(C)C[C@@H]1CCCOC1 ZINC000111160371 186362674 /nfs/dbraw/zinc/36/26/74/186362674.db2.gz VMXLMCHVGKJFCL-SOUVJXGZSA-N 1 0 254.418 2.266 10 0 CEAERO CC(C)CC[C@](C)(CN)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111157860 186362863 /nfs/dbraw/zinc/36/28/63/186362863.db2.gz WMOAYYRBWGFBDT-LSDHHAIUSA-N 1 0 256.434 2.498 10 0 CEAERO Cc1ccc([C@H](CN)[N@H+](C)CC2CCOCC2)cc1 ZINC000111156671 186363116 /nfs/dbraw/zinc/36/31/16/186363116.db2.gz PCGACCWMIFCUNR-INIZCTEOSA-N 1 0 262.397 2.353 10 0 CEAERO [NH3+]CCc1cccc(C(=O)NC[C@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000111075813 186351097 /nfs/dbraw/zinc/35/10/97/186351097.db2.gz YSHBLKKDYAJMJR-SQWLQELKSA-N 1 0 272.392 2.354 10 0 CEAERO CC(C)[NH2+]CCC(=O)N(C)C[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000111088166 186351478 /nfs/dbraw/zinc/35/14/78/186351478.db2.gz UHXJRDCMIGQFII-BFHYXJOUSA-N 1 0 252.402 2.269 10 0 CEAERO COc1ccccc1[C@@H](N)C[N@H+](C)CC1CCOCC1 ZINC000111161778 186363335 /nfs/dbraw/zinc/36/33/35/186363335.db2.gz ZTYNBEDAGNBLIF-HNNXBMFYSA-N 1 0 278.396 2.053 10 0 CEAERO COC(C[NH2+][C@@H](C)Cc1cccc(Cl)c1)OC ZINC000111112261 186354149 /nfs/dbraw/zinc/35/41/49/186354149.db2.gz XXXSRVHJVOMEEJ-JTQLQIEISA-N 1 0 257.761 2.480 10 0 CEAERO CCOCCN(CC)[C@@H](C[NH3+])c1cc(F)ccc1F ZINC000111117724 186354327 /nfs/dbraw/zinc/35/43/27/186354327.db2.gz SVYXQWRCWIVZMF-AWEZNQCLSA-N 1 0 272.339 2.323 10 0 CEAERO C[C@@H]1C[C@H](C(=O)N(C)CCC[NH+](C)C)c2ccccc2N1 ZINC000111139359 186358064 /nfs/dbraw/zinc/35/80/64/186358064.db2.gz QBFNTTIZUKRZCN-HIFRSBDPSA-N 1 0 289.423 2.384 10 0 CEAERO CN(CC[NH+](C)C)c1nc2c(s1)[C@@H](O)CC(C)(C)C2 ZINC000111151544 186359735 /nfs/dbraw/zinc/35/97/35/186359735.db2.gz DZSDUWKVPNIGNR-NSHDSACASA-N 1 0 283.441 2.147 10 0 CEAERO C[NH+](C)CCC[N@H+](C)[C@H](CC(=O)[O-])c1ccccc1 ZINC000111152319 186359935 /nfs/dbraw/zinc/35/99/35/186359935.db2.gz BTWLKAILOYBDIU-CQSZACIVSA-N 1 0 264.369 2.086 10 0 CEAERO CC[C@H](N)[C@H]([N@H+](C)CC1CCOCC1)C(C)(C)C ZINC000111155425 186360304 /nfs/dbraw/zinc/36/03/04/186360304.db2.gz OLSBOLUZOPHLGV-KBPBESRZSA-N 1 0 256.434 2.497 10 0 CEAERO c1ccc2c(c1)OCC[C@@H]2c1nnc(CC[NH2+]C2CC2)o1 ZINC000111189628 186367911 /nfs/dbraw/zinc/36/79/11/186367911.db2.gz SNNRDMLRINHMIJ-ZDUSSCGKSA-N 1 0 285.347 2.279 10 0 CEAERO CN(C[C@@H]1CCCOC1)C(=O)C1(C[NH3+])CCCCCC1 ZINC000111165693 186364508 /nfs/dbraw/zinc/36/45/08/186364508.db2.gz BHPDOCOWUIVPDB-AWEZNQCLSA-N 1 0 282.428 2.171 10 0 CEAERO CN(C[C@H]1CCCOC1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000111179923 186366442 /nfs/dbraw/zinc/36/64/42/186366442.db2.gz OWUHWSKMHQCJDJ-CYBMUJFWSA-N 1 0 277.368 2.036 10 0 CEAERO CC[C@@H]([NH3+])Cc1noc([C@H]2CCOc3ccccc32)n1 ZINC000111189453 186367236 /nfs/dbraw/zinc/36/72/36/186367236.db2.gz GIXKABXSAWIGIM-PWSUYJOCSA-N 1 0 273.336 2.264 10 0 CEAERO Cc1ccc(N(C)C[C@]2(C[NH3+])CCCOC2)c(C)c1 ZINC000111327433 186398019 /nfs/dbraw/zinc/39/80/19/186398019.db2.gz ZOLCNCVIJUHQPT-MRXNPFEDSA-N 1 0 262.397 2.495 10 0 CEAERO CN(CC(F)(F)F)C[C@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111325917 186398369 /nfs/dbraw/zinc/39/83/69/186398369.db2.gz SXDGXLQJVMUIHH-GFCCVEGCSA-N 1 0 280.334 2.029 10 0 CEAERO FC(F)(F)[C@]1(c2nncn2C2CCCC2)CC[NH2+]C1 ZINC000111241465 186374942 /nfs/dbraw/zinc/37/49/42/186374942.db2.gz VVHLKILIWASQBK-LLVKDONJSA-N 1 0 274.290 2.187 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1c1nc(CCc2ccccc2)no1 ZINC000111256519 186378905 /nfs/dbraw/zinc/37/89/05/186378905.db2.gz QBMYQJKTIGYAEX-AAEUAGOBSA-N 1 0 257.337 2.178 10 0 CEAERO CSc1ccc(NC(=O)[C@H]2C[NH2+]C[C@H]2C)cc1 ZINC000111262963 186380555 /nfs/dbraw/zinc/38/05/55/186380555.db2.gz QHWHWSCOIBKTDU-SKDRFNHKSA-N 1 0 250.367 2.203 10 0 CEAERO Cc1nc2ccc(NC(=O)[C@@H]3C[NH2+]C[C@@H]3C)cc2s1 ZINC000111265083 186381175 /nfs/dbraw/zinc/38/11/75/186381175.db2.gz RLPGGXDEKWIRJF-GZMMTYOYSA-N 1 0 275.377 2.399 10 0 CEAERO C[C@@H](Cc1cccc(Cl)c1)NC(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000111265661 186381579 /nfs/dbraw/zinc/38/15/79/186381579.db2.gz XWEPSWZQSKHBHL-COPLHBTASA-N 1 0 280.799 2.243 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cnc2ccccc2c1 ZINC000111265488 186381632 /nfs/dbraw/zinc/38/16/32/186381632.db2.gz TVSZQYBTANAEGN-ZWNOBZJWSA-N 1 0 255.321 2.029 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccccc1OC(F)F ZINC000111263885 186382227 /nfs/dbraw/zinc/38/22/27/186382227.db2.gz YQLLQCYUSMNGRR-IUCAKERBSA-N 1 0 270.279 2.082 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)[C@H]2C[NH2+]C[C@@H]2C)c(C)c1 ZINC000111267418 186382320 /nfs/dbraw/zinc/38/23/20/186382320.db2.gz JJMZPVBZBFRCTL-GUTXKFCHSA-N 1 0 260.381 2.336 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000111266333 186382977 /nfs/dbraw/zinc/38/29/77/186382977.db2.gz LEMNCIMLZOGVTM-UGFHNGPFSA-N 1 0 258.365 2.109 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc2c(O)cccc12 ZINC000111266536 186383358 /nfs/dbraw/zinc/38/33/58/186383358.db2.gz IWRRBOQVRXPIPH-MFKMUULPSA-N 1 0 270.332 2.339 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)CCCCc1ccccc1 ZINC000111269229 186383921 /nfs/dbraw/zinc/38/39/21/186383921.db2.gz ODPYVHQGHWIHEP-GDBMZVCRSA-N 1 0 274.408 2.323 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000111268274 186384222 /nfs/dbraw/zinc/38/42/22/186384222.db2.gz QGQKWBXTFWDVPD-IAQYHMDHSA-N 1 0 276.355 2.172 10 0 CEAERO CC(C)c1csc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000111271852 186384316 /nfs/dbraw/zinc/38/43/16/186384316.db2.gz DTAPSYFXEOSOAD-RKDXNWHRSA-N 1 0 253.371 2.061 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)Cc1nc2ccccc2s1 ZINC000111268260 186384406 /nfs/dbraw/zinc/38/44/06/186384406.db2.gz QPDJEXGRQDZNJW-GHMZBOCLSA-N 1 0 289.404 2.110 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CCc2sccc2[C@@H]1C1CC1 ZINC000111268410 186384420 /nfs/dbraw/zinc/38/44/20/186384420.db2.gz AFWAUBNKCKKLFA-DGFSRKRXSA-N 1 0 290.432 2.439 10 0 CEAERO Cc1ccc(CN(C(=O)[C@@H]2C[NH2+]C[C@@H]2C)C2CC2)cc1 ZINC000111268811 186384493 /nfs/dbraw/zinc/38/44/93/186384493.db2.gz QTXDEIDTAFYJRD-XJKSGUPXSA-N 1 0 272.392 2.342 10 0 CEAERO CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C[NH3+])cn1 ZINC000111281790 186387837 /nfs/dbraw/zinc/38/78/37/186387837.db2.gz XTNANQFGULMGQK-CHWSQXEVSA-N 1 0 261.369 2.239 10 0 CEAERO C[N@@H+]1CCCN(c2ccc(N)cc2C(F)F)CC1 ZINC000111289787 186390679 /nfs/dbraw/zinc/39/06/79/186390679.db2.gz MCZGACSUMTVROV-UHFFFAOYSA-N 1 0 255.312 2.348 10 0 CEAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc2[nH]ccc2c1 ZINC000111288965 186390924 /nfs/dbraw/zinc/39/09/24/186390924.db2.gz UHLMZSNFPSSFKR-PBWFPOADSA-N 1 0 269.348 2.181 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc(F)ccc1N1CCCOCC1 ZINC000111500716 186424903 /nfs/dbraw/zinc/42/49/03/186424903.db2.gz CMRGVKLIHBTJAL-CQSZACIVSA-N 1 0 266.360 2.332 10 0 CEAERO C[NH2+][C@H](C)[C@@H]1CCCCN1CC(=O)Nc1ccc(C)cc1 ZINC000111710537 186448929 /nfs/dbraw/zinc/44/89/29/186448929.db2.gz VPGQYUSMZBPHGD-ZBFHGGJFSA-N 1 0 289.423 2.396 10 0 CEAERO C[NH2+][C@H](C)[C@H]1CCCCN1[C@@H](C)C(=O)N1CCCCCC1 ZINC000111710378 186448989 /nfs/dbraw/zinc/44/89/89/186448989.db2.gz AFDXXGQYJDDZMV-OWCLPIDISA-N 1 0 295.471 2.240 10 0 CEAERO CC[NH2+][C@H](C)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000111715562 186450557 /nfs/dbraw/zinc/45/05/57/186450557.db2.gz DZDGQQCJKYCWDZ-HIFRSBDPSA-N 1 0 296.436 2.228 10 0 CEAERO CCCCN(CC[NH3+])C(=O)c1nccc2ccccc21 ZINC000111362703 186405847 /nfs/dbraw/zinc/40/58/47/186405847.db2.gz HOCPLXSWIOAQKF-UHFFFAOYSA-N 1 0 271.364 2.436 10 0 CEAERO Cc1ccc(C(=O)N[C@]2(C[NH3+])CCC[C@H](C)C2)o1 ZINC000111369921 186407271 /nfs/dbraw/zinc/40/72/71/186407271.db2.gz YBOZQORUJSHTMU-IINYFYTJSA-N 1 0 250.342 2.225 10 0 CEAERO CCCS(=O)(=O)c1ccc(N[C@@H](CC)C[NH3+])cc1 ZINC000111374614 186409334 /nfs/dbraw/zinc/40/93/34/186409334.db2.gz DTNZWJVFMSBLII-NSHDSACASA-N 1 0 270.398 2.020 10 0 CEAERO C[C@H]1CCC[C@@](C[NH3+])(N2C(=O)CC(C)(C)CC2=O)C1 ZINC000111382438 186410603 /nfs/dbraw/zinc/41/06/03/186410603.db2.gz WXFAMXYUBZFFBV-XHDPSFHLSA-N 1 0 266.385 2.069 10 0 CEAERO CCC(CC)N(CC[NH3+])CC(=O)Nc1ccc(OC)cc1 ZINC000111381566 186411014 /nfs/dbraw/zinc/41/10/14/186411014.db2.gz XLLIFINIYLZJKX-UHFFFAOYSA-N 1 0 293.411 2.083 10 0 CEAERO CC[N@H+](CC(=O)N[C@H](C)c1ccc(C)o1)C1CC1 ZINC000131062480 366016702 /nfs/dbraw/zinc/01/67/02/366016702.db2.gz UBEUKNMASNWFLL-LLVKDONJSA-N 1 0 250.342 2.250 10 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WCEBKNFAEVKZPC-CVEARBPZSA-N 1 0 262.397 2.242 10 0 CEAERO C[C@@H]1CN(c2cccc(C(F)(F)F)n2)C[C@@H]1C[NH3+] ZINC000630573511 351789358 /nfs/dbraw/zinc/78/93/58/351789358.db2.gz UHBJLWPOUYLGBQ-BDAKNGLRSA-N 1 0 259.275 2.131 10 0 CEAERO Cc1cnc(N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)nc1C ZINC000630525274 351772578 /nfs/dbraw/zinc/77/25/78/351772578.db2.gz CWGGQKQTUMLFIT-GHMZBOCLSA-N 1 0 288.317 2.057 10 0 CEAERO CC[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccccc1 ZINC000123290475 187083263 /nfs/dbraw/zinc/08/32/63/187083263.db2.gz JZMKCLIHSTYDGU-GOEBONIOSA-N 1 0 262.397 2.448 10 0 CEAERO C[C@@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1)N1CCOCC1 ZINC000123401183 187089299 /nfs/dbraw/zinc/08/92/99/187089299.db2.gz UGEWEMIKKHLVHQ-RYUDHWBXSA-N 1 0 284.350 2.336 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1c[nH]nc1-c1cccnc1 ZINC000123436410 187091449 /nfs/dbraw/zinc/09/14/49/187091449.db2.gz WFLYQGUQLXZDKY-INIZCTEOSA-N 1 0 299.422 2.388 10 0 CEAERO Cn1cccc1C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000123493022 187095056 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O[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1OCCc2ccccc21 ZINC000250532213 539966634 /nfs/dbraw/zinc/96/66/34/539966634.db2.gz LTUGVODMTREEIA-BZUAXINKSA-N 1 0 261.365 2.194 10 0 CEAERO [NH3+]CCN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250644798 539967293 /nfs/dbraw/zinc/96/72/93/539967293.db2.gz IWXYXLZLMZJYKK-QDMKHBRRSA-N 1 0 258.365 2.020 10 0 CEAERO Cc1ccccc1C[C@H](C)NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000251168567 539972486 /nfs/dbraw/zinc/97/24/86/539972486.db2.gz OJRKNKDPODPFPI-CWRNSKLLSA-N 1 0 274.408 2.417 10 0 CEAERO COc1ccccc1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000155622683 188217423 /nfs/dbraw/zinc/21/74/23/188217423.db2.gz GWMPNUSQFHPANN-OCCSQVGLSA-N 1 0 276.380 2.154 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)c2cccnc2Cl)[C@@H](C)C1 ZINC000155356538 188200971 /nfs/dbraw/zinc/20/09/71/188200971.db2.gz JRBIRMXSJJPRRC-JQWIXIFHSA-N 1 0 281.787 2.194 10 0 CEAERO COc1cccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000155490157 188210141 /nfs/dbraw/zinc/21/01/41/188210141.db2.gz 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CC(=O)Nc1cccc(N[C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000570690076 314053133 /nfs/dbraw/zinc/05/31/33/314053133.db2.gz FYORZLNSDUAXPJ-DGCLKSJQSA-N 1 0 261.369 2.445 10 0 CEAERO CCC(=O)N1[C@H](CC[NH3+])CCC[C@H]1C(F)(F)F ZINC000675073296 540115169 /nfs/dbraw/zinc/11/51/69/540115169.db2.gz MIHFMMMNRGYVBM-IUCAKERBSA-N 1 0 252.280 2.057 10 0 CEAERO CC(C)C[NH+]1CCN(CCOc2cncc(Cl)c2)CC1 ZINC000675076461 540117718 /nfs/dbraw/zinc/11/77/18/540117718.db2.gz NZTIPXIBJKOMGZ-UHFFFAOYSA-N 1 0 297.830 2.387 10 0 CEAERO OCCN1CCC[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000384441720 540208569 /nfs/dbraw/zinc/20/85/69/540208569.db2.gz YDFKGTCNTAFYMV-KRWDZBQOSA-N 1 0 274.408 2.110 10 0 CEAERO CC1(C)CCC[C@H]([NH2+][C@@H]2CCCN(CCO)C2)CC1 ZINC000384670197 540212951 /nfs/dbraw/zinc/21/29/51/540212951.db2.gz CWAJSYOJAHIVFM-LSDHHAIUSA-N 1 0 268.445 2.392 10 0 CEAERO CC[NH+](CC)C[C@@H](C)Nc1nccnc1C(C)C ZINC000413082721 540225096 /nfs/dbraw/zinc/22/50/96/540225096.db2.gz JFMKXCQKHKJKRV-GFCCVEGCSA-N 1 0 250.390 2.164 10 0 CEAERO CCCc1nsc(N2C[C@@H]3CCC[C@]3(C[NH3+])C2)n1 ZINC000385301591 540228623 /nfs/dbraw/zinc/22/86/23/540228623.db2.gz VDJMYZVABOMGCR-GWCFXTLKSA-N 1 0 266.414 2.056 10 0 CEAERO COCc1ccccc1C[NH2+]Cc1c(C)nn(C)c1OC ZINC000134114893 366287905 /nfs/dbraw/zinc/28/79/05/366287905.db2.gz AVQDMRDPUSHWDL-UHFFFAOYSA-N 1 0 289.379 2.173 10 0 CEAERO C[C@@H](Nc1nc2ccccc2n1C)[C@H]1CCC[NH2+]C1 ZINC000079048004 363569798 /nfs/dbraw/zinc/56/97/98/363569798.db2.gz BHXDNCXTNKAVPA-NEPJUHHUSA-N 1 0 258.369 2.373 10 0 CEAERO Brc1sccc1CNC1CC[NH2+]CC1 ZINC000307487175 538872991 /nfs/dbraw/zinc/87/29/91/538872991.db2.gz VQJPMUHNWRUQSE-UHFFFAOYSA-N 1 0 275.215 2.352 10 0 CEAERO COc1ccc(C)cc1[C@@H](C)NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079513793 538890877 /nfs/dbraw/zinc/89/08/77/538890877.db2.gz DYHHFBNMDOSDSI-MLGOLLRUSA-N 1 0 276.380 2.323 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H](C)c1cccnc1 ZINC000079269581 363587280 /nfs/dbraw/zinc/58/72/80/363587280.db2.gz OGNQCWZWLIIMNE-UKRRQHHQSA-N 1 0 292.427 2.418 10 0 CEAERO CCN1CC[C@@H]([NH2+]C[C@H]2CCOc3ccccc32)C1 ZINC000389469476 540357735 /nfs/dbraw/zinc/35/77/35/540357735.db2.gz UOVICICTWURXSE-ZIAGYGMSSA-N 1 0 260.381 2.237 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCOCc1ccccc1 ZINC000390172319 540380538 /nfs/dbraw/zinc/38/05/38/540380538.db2.gz KSRGNSDRHQSVSC-RDJZCZTQSA-N 1 0 274.408 2.372 10 0 CEAERO C[C@H]([NH2+]CC(F)F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400476606 299278778 /nfs/dbraw/zinc/27/87/78/299278778.db2.gz ZZZSBXWRUAJIMO-UWVGGRQHSA-N 1 0 278.343 2.487 10 0 CEAERO C[C@@]1(C(=O)NC23CC4CC(CC(C4)C2)C3)CCC[NH2+]1 ZINC000079510133 363610671 /nfs/dbraw/zinc/61/06/71/363610671.db2.gz RBWQCAJRRSZYMR-NTUGICLWSA-N 1 0 262.397 2.214 10 0 CEAERO CCC[NH2+]CCNC(=O)[C@@H]1C[C@@H]1c1ccccc1C ZINC000154498419 283390322 /nfs/dbraw/zinc/39/03/22/283390322.db2.gz OYYCLBAUJVQPTI-HUUCEWRRSA-N 1 0 260.381 2.214 10 0 CEAERO COc1ccc(OC)c(C[NH2+][C@H]2CCCCC[C@H]2O)c1 ZINC000135658597 366464514 /nfs/dbraw/zinc/46/45/14/366464514.db2.gz AQQCCMCTTGJTDP-LSDHHAIUSA-N 1 0 279.380 2.487 10 0 CEAERO CCCN1CC[C@@H]([NH3+])[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000685952543 540646346 /nfs/dbraw/zinc/64/63/46/540646346.db2.gz AHNDTSKCLBINEH-CZUORRHYSA-N 1 0 297.443 2.199 10 0 CEAERO C[NH2+][C@@H](CN1CCOCC1)c1cccc(Br)c1 ZINC000148359074 366581091 /nfs/dbraw/zinc/58/10/91/366581091.db2.gz LXCXBWNDTKQXOO-ZDUSSCGKSA-N 1 0 299.212 2.042 10 0 CEAERO [NH3+]C[C@H]1CCCN(c2cc(C(F)(F)F)ccn2)C1 ZINC000090802587 283506136 /nfs/dbraw/zinc/50/61/36/283506136.db2.gz JVIYNLXGDCSNRR-SECBINFHSA-N 1 0 259.275 2.276 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1sccc1OC ZINC000176982802 189018692 /nfs/dbraw/zinc/01/86/92/189018692.db2.gz MOHSSLJITISJGE-LLVKDONJSA-N 1 0 282.409 2.313 10 0 CEAERO C[C@H]([NH3+])C1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000081585742 363732956 /nfs/dbraw/zinc/73/29/56/363732956.db2.gz HVFFLTRBCOALTL-QMMMGPOBSA-N 1 0 274.290 2.059 10 0 CEAERO Cc1ccccc1NC(=O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177764876 189068178 /nfs/dbraw/zinc/06/81/78/189068178.db2.gz MZEBHOYCSOCWRS-OAHLLOKOSA-N 1 0 287.407 2.104 10 0 CEAERO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1cccc(C[S@](C)=O)c1C ZINC000178571934 189127709 /nfs/dbraw/zinc/12/77/09/189127709.db2.gz XTBVCSNJHPGVPB-YOKVUHJFSA-N 1 0 296.436 2.185 10 0 CEAERO CCCc1csc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000180693179 189270286 /nfs/dbraw/zinc/27/02/86/189270286.db2.gz PLVAULZVPQVOML-GFCCVEGCSA-N 1 0 294.424 2.408 10 0 CEAERO NC(=[NH2+])c1ccc2[nH]c(Cc3nc4ccccc4[nH]3)nc2c1 ZINC000002047318 361227507 /nfs/dbraw/zinc/22/75/07/361227507.db2.gz KKJYVDXDZURHMA-UHFFFAOYSA-N 1 0 290.330 2.314 10 0 in-vivo CEAERO Cc1noc(C)c1C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152454532 366696279 /nfs/dbraw/zinc/69/62/79/366696279.db2.gz GMTJPTHTUXUKJB-AWEZNQCLSA-N 1 0 273.336 2.340 10 0 CEAERO Oc1cccc2c1CC[C@@H]2[NH2+]CC1(O)CCSCC1 ZINC000677944308 541061283 /nfs/dbraw/zinc/06/12/83/541061283.db2.gz ZEPPPIBVOOYOFS-ZDUSSCGKSA-N 1 0 279.405 2.227 10 0 CEAERO Cc1cccc(CN2C[C@H]3CCCC[N@H+]3C[C@@H]2C)n1 ZINC000083882225 363790320 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ZINC000105909661 364703188 /nfs/dbraw/zinc/70/31/88/364703188.db2.gz HHWHDKJKCBWDNC-MRXNPFEDSA-N 1 0 297.406 2.015 10 0 CEAERO CC[C@H]([NH2+][C@@H](C)c1ccc(F)c(Cl)c1)C(N)=O ZINC000112535094 364813519 /nfs/dbraw/zinc/81/35/19/364813519.db2.gz XJNPNUIVSYWXCQ-CPCISQLKSA-N 1 0 258.724 2.394 10 0 CEAERO CC(C)(C)CC[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000112697922 364829349 /nfs/dbraw/zinc/82/93/49/364829349.db2.gz IFVPAUQUSZJGLK-ZDUSSCGKSA-N 1 0 251.374 2.020 10 0 CEAERO Cc1noc(C(C)C)c1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000335710238 364868405 /nfs/dbraw/zinc/86/84/05/364868405.db2.gz PWQZDJBUYJZEOR-FOSCPWQOSA-N 1 0 277.368 2.119 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc(C(C)(C)C)no1 ZINC000113269789 364882275 /nfs/dbraw/zinc/88/22/75/364882275.db2.gz GRYAJAXCJHVINF-NWDGAFQWSA-N 1 0 278.400 2.036 10 0 CEAERO CC(C)C[NH2+]Cc1c(C(C)C)nn(C)c1N1CCOCC1 ZINC000113311483 364887572 /nfs/dbraw/zinc/88/75/72/364887572.db2.gz GFFULOUKGJXUQU-UHFFFAOYSA-N 1 0 294.443 2.126 10 0 CEAERO Cc1nc2cc(NC(=O)[C@H]3CCC[NH2+][C@@H]3C)ccc2o1 ZINC000335596247 212308002 /nfs/dbraw/zinc/30/80/02/212308002.db2.gz GLVOHLYAXZLVFY-SKDRFNHKSA-N 1 0 273.336 2.463 10 0 CEAERO CCCCc1noc(CN2CC[C@H](c3cnn(C)c3)C2)n1 ZINC000116314122 365049828 /nfs/dbraw/zinc/04/98/28/365049828.db2.gz UPCNPAHQSFZIQD-LBPRGKRZSA-N 1 0 289.383 2.135 10 0 CEAERO COCCN1CCN(C(=O)c2cccc(Cl)c2)C[C@H]1C ZINC000117294468 365101771 /nfs/dbraw/zinc/10/17/71/365101771.db2.gz RJLXPAATVFKBST-GFCCVEGCSA-N 1 0 296.798 2.133 10 0 CEAERO CCCCC[N@@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000117879770 365130537 /nfs/dbraw/zinc/13/05/37/365130537.db2.gz HIRFEKHRQXQQSM-UHFFFAOYSA-N 1 0 262.401 2.487 10 0 CEAERO C[C@]1(C(=O)N2CCO[C@H](c3ccccc3)C2)CCCC[NH2+]1 ZINC000119070708 365209724 /nfs/dbraw/zinc/20/97/24/365209724.db2.gz LHPMWHMORAXNNU-DOTOQJQBSA-N 1 0 288.391 2.119 10 0 CEAERO CCSCC[N@@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000119243938 365241441 /nfs/dbraw/zinc/24/14/41/365241441.db2.gz GHGWWWBAXCPWTI-CQSZACIVSA-N 1 0 282.457 2.360 10 0 CEAERO CCC1(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)CCOCC1 ZINC000335979124 365246573 /nfs/dbraw/zinc/24/65/73/365246573.db2.gz MBZWPNDVABBMFS-UONOGXRCSA-N 1 0 253.386 2.447 10 0 CEAERO CCS[C@H](C(=O)N[C@@H]1CCC[N@H+](CC)C1)C(C)C ZINC000245402397 370812795 /nfs/dbraw/zinc/81/27/95/370812795.db2.gz HZBSVHPQYGQZJX-OLZOCXBDSA-N 1 0 272.458 2.365 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)/C=C/c1cccnc1 ZINC000119462915 365276971 /nfs/dbraw/zinc/27/69/71/365276971.db2.gz LVTDLZDHRAEDAC-KXPUMZMLSA-N 1 0 287.407 2.331 10 0 CEAERO CC1=C(C)CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000336010816 365286810 /nfs/dbraw/zinc/28/68/10/365286810.db2.gz HVNFYXWTKYTUBY-KBPBESRZSA-N 1 0 250.386 2.285 10 0 CEAERO CCCC(O)(CCC)C[NH2+]Cc1c(C)nn(C)c1OC ZINC000119703062 365314124 /nfs/dbraw/zinc/31/41/24/365314124.db2.gz UQHASMHBHSZRLU-UHFFFAOYSA-N 1 0 283.416 2.158 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1csc(Cl)n1 ZINC000275512675 193064320 /nfs/dbraw/zinc/06/43/20/193064320.db2.gz IAUCNJTZVNASHD-SECBINFHSA-N 1 0 287.816 2.353 10 0 CEAERO CC(C)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000159080737 366874107 /nfs/dbraw/zinc/87/41/07/366874107.db2.gz UGVIWYMHNTWKKF-RYUDHWBXSA-N 1 0 259.357 2.357 10 0 CEAERO COCC[N@@H+]1CCN(Cc2ccc(F)cc2F)C[C@@H]1C ZINC000120470927 365429109 /nfs/dbraw/zinc/42/91/09/365429109.db2.gz DWHBDMYJVRHFLB-LBPRGKRZSA-N 1 0 284.350 2.117 10 0 CEAERO [NH3+]CC(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 ZINC000160854085 367037899 /nfs/dbraw/zinc/03/78/99/367037899.db2.gz GQISEXATLTWPAB-FQEVSTJZSA-N 1 0 294.420 2.165 10 0 CEAERO CCOC1CCC(C[NH2+][C@H](C)c2ncn(C)n2)CC1 ZINC000583650924 367078746 /nfs/dbraw/zinc/07/87/46/367078746.db2.gz CVGYVWQIJXIAIL-PNESKVBLSA-N 1 0 266.389 2.061 10 0 CEAERO CCC[C@@H](C(=O)NCCc1cccc(C)c1)[NH+](C)C ZINC000161879874 367118079 /nfs/dbraw/zinc/11/80/79/367118079.db2.gz MLIXKJSVJWFMSS-HNNXBMFYSA-N 1 0 262.397 2.384 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H](C)OCCC(C)C ZINC000245432406 370818356 /nfs/dbraw/zinc/81/83/56/370818356.db2.gz OIEVIRLCZURVCL-GJZGRUSLSA-N 1 0 284.444 2.380 10 0 CEAERO CCC[C@H](C(=O)NCCc1ccc(C)c(OC)c1)[NH+](C)C ZINC000162264529 367147390 /nfs/dbraw/zinc/14/73/90/367147390.db2.gz LSUBNDFPXAWNSU-OAHLLOKOSA-N 1 0 292.423 2.393 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C[C@@H]1C=CCC1 ZINC000245436569 370820174 /nfs/dbraw/zinc/82/01/74/370820174.db2.gz VGEOWEXKVYXSAI-KGLIPLIRSA-N 1 0 250.386 2.285 10 0 CEAERO C[C@H]1CN(C(=O)c2cc3ccccc3o2)C[C@@H]1C[NH3+] ZINC000638886324 370820509 /nfs/dbraw/zinc/82/05/09/370820509.db2.gz QGPWOLLNZBZSTJ-JQWIXIFHSA-N 1 0 258.321 2.100 10 0 CEAERO C[C@@H]1CN(C(=O)c2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000638887520 370821960 /nfs/dbraw/zinc/82/19/60/370821960.db2.gz VPLVQIWBZSQXRT-MWLCHTKSSA-N 1 0 297.196 2.116 10 0 CEAERO Cc1c(Cl)cccc1C(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638894929 370825997 /nfs/dbraw/zinc/82/59/97/370825997.db2.gz QVXBHNKJJRELBA-ONGXEEELSA-N 1 0 266.772 2.315 10 0 CEAERO C[C@@H]([NH2+][C@@H](CO)Cc1ccccc1)c1cscn1 ZINC000162419915 367159477 /nfs/dbraw/zinc/15/94/77/367159477.db2.gz QOYNLGDKADQTHK-DGCLKSJQSA-N 1 0 262.378 2.397 10 0 CEAERO Cc1cc(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)cc(C)c1F ZINC000638894162 370826326 /nfs/dbraw/zinc/82/63/26/370826326.db2.gz POBXEHRHDKFVRK-YPMHNXCESA-N 1 0 264.344 2.109 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CC=CCC1 ZINC000245474343 370826758 /nfs/dbraw/zinc/82/67/58/370826758.db2.gz QVRXNZGTXLOZHB-ZIAGYGMSSA-N 1 0 265.401 2.221 10 0 CEAERO COC[C@H]([NH2+]Cc1cnn(C)c1C)c1ccccc1 ZINC000162450959 367161996 /nfs/dbraw/zinc/16/19/96/367161996.db2.gz NZLMOADZBDZLAF-HNNXBMFYSA-N 1 0 259.353 2.206 10 0 CEAERO CN(c1ncc(Cl)cc1Br)[C@H]1CC[NH2+]C1 ZINC000162817635 367193119 /nfs/dbraw/zinc/19/31/19/367193119.db2.gz CLCHPXNNGKYXCJ-QMMMGPOBSA-N 1 0 290.592 2.296 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cncs1 ZINC000166960433 367333309 /nfs/dbraw/zinc/33/33/09/367333309.db2.gz PSSCEFZBHGZHEK-NWDGAFQWSA-N 1 0 251.399 2.202 10 0 CEAERO CC/C=C\CC[NH+]1CCN(c2nccc(OCC)n2)CC1 ZINC000342217136 367395140 /nfs/dbraw/zinc/39/51/40/367395140.db2.gz OOMCMBKNAIZAKG-WAYWQWQTSA-N 1 0 290.411 2.354 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)NCc2ccc(F)c(Cl)c2)C1 ZINC000170836344 367429598 /nfs/dbraw/zinc/42/95/98/367429598.db2.gz XHSURRQAXJXSGF-NSHDSACASA-N 1 0 299.777 2.325 10 0 CEAERO CC[C@@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000170856166 367432381 /nfs/dbraw/zinc/43/23/81/367432381.db2.gz MMDSLOJQNARJEV-HUUCEWRRSA-N 1 0 260.381 2.343 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)CCCOc2ccc(F)cc2)C1 ZINC000170856098 367432810 /nfs/dbraw/zinc/43/28/10/367432810.db2.gz AXBREJZLSCNWGH-AWEZNQCLSA-N 1 0 294.370 2.147 10 0 CEAERO CCCN(C)c1ccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000170864202 367433998 /nfs/dbraw/zinc/43/39/98/367433998.db2.gz AKTBYUQEZRHKNI-MRXNPFEDSA-N 1 0 289.423 2.309 10 0 CEAERO Cc1cc(OCC(=O)N2CC[C@H]([NH+](C)C)C2)ccc1Cl ZINC000170862797 367434186 /nfs/dbraw/zinc/43/41/86/367434186.db2.gz RHWYTTPQKNJWEV-LBPRGKRZSA-N 1 0 296.798 2.190 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cccc(OC(F)F)c2)C1 ZINC000170863579 367434894 /nfs/dbraw/zinc/43/48/94/367434894.db2.gz KOBMJZDQJRLJDB-LLVKDONJSA-N 1 0 284.306 2.064 10 0 CEAERO Cc1cc(CN2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c(C)s1 ZINC000170936462 367450058 /nfs/dbraw/zinc/45/00/58/367450058.db2.gz CZEQPXLWNWBEEX-VXGBXAGGSA-N 1 0 282.453 2.252 10 0 CEAERO Cc1ccc2oc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)cc2n1 ZINC000171471229 367550296 /nfs/dbraw/zinc/55/02/96/367550296.db2.gz ILJZYSGHCRTDES-LBPRGKRZSA-N 1 0 285.347 2.056 10 0 CEAERO COCCCCC[NH+]1CCC(c2ccnn2C)CC1 ZINC000171501024 367556428 /nfs/dbraw/zinc/55/64/28/367556428.db2.gz SUGOSOQZEATMAN-UHFFFAOYSA-N 1 0 265.401 2.416 10 0 CEAERO C[C@H]1CN(Cc2nc(C(C)(C)C)cs2)C[C@H]1C[NH3+] ZINC000631839176 367579365 /nfs/dbraw/zinc/57/93/65/367579365.db2.gz BKAVHNCATYWCKA-WDEREUQCSA-N 1 0 267.442 2.467 10 0 CEAERO C[C@@H]1CN(Cc2cccc(Br)c2)C[C@@H]1C[NH3+] ZINC000631838448 367579465 /nfs/dbraw/zinc/57/94/65/367579465.db2.gz OPXXCPHKHMEIST-PWSUYJOCSA-N 1 0 283.213 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2.489 10 0 CEAERO CC(C)C[C@H](C[NH3+])Nc1nnc(C(F)F)s1 ZINC000309474663 376592235 /nfs/dbraw/zinc/59/22/35/376592235.db2.gz XWBMNEGOWODTSE-ZCFIWIBFSA-N 1 0 250.318 2.261 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]CCC(C)(C)O)c1C ZINC000311072715 376651386 /nfs/dbraw/zinc/65/13/86/376651386.db2.gz MBBWCFZNUZKJGA-SNVBAGLBSA-N 1 0 253.390 2.331 10 0 CEAERO CCCCOc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)cc1 ZINC000312517750 376717065 /nfs/dbraw/zinc/71/70/65/376717065.db2.gz SXINBMREBFRDIX-SWLSCSKDSA-N 1 0 276.380 2.427 10 0 CEAERO CCN1CC[C@H]([NH2+][C@@H](C)c2ccc3c(c2)OCO3)C1 ZINC000328514126 376852185 /nfs/dbraw/zinc/85/21/85/376852185.db2.gz OXISXBBXSZKOIY-AAEUAGOBSA-N 1 0 262.353 2.160 10 0 CEAERO CC(C)(C)C(=O)N1CC[C@H](c2ccccc2)[C@@H]([NH3+])C1 ZINC000616568411 542153883 /nfs/dbraw/zinc/15/38/83/542153883.db2.gz BGSDXWJDYIRNAV-KGLIPLIRSA-N 1 0 260.381 2.376 10 0 CEAERO CC(C)C[C@H]1CC[NH2+]C[C@H]1NC(=O)Cc1ccccc1 ZINC000616571136 542160886 /nfs/dbraw/zinc/16/08/86/542160886.db2.gz PJPUAIIUHAHASH-HZPDHXFCSA-N 1 0 274.408 2.370 10 0 CEAERO COc1ccc(NC(=O)C[NH2+]C2(C(C)C)CC2)cc1 ZINC000293207885 377470839 /nfs/dbraw/zinc/47/08/39/377470839.db2.gz YDHHOPLXHFTLRH-UHFFFAOYSA-N 1 0 262.353 2.412 10 0 CEAERO CCN(Cc1cccc(F)c1)C(=O)C[C@H]1CC[NH2+]C1 ZINC000089744005 249307902 /nfs/dbraw/zinc/30/79/02/249307902.db2.gz KLMGYWYKVMTZOY-GFCCVEGCSA-N 1 0 264.344 2.174 10 0 CEAERO C[C@H](c1cnccn1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000184624248 249333271 /nfs/dbraw/zinc/33/32/71/249333271.db2.gz BQYVZAFMIVDGMT-UMVBOHGHSA-N 1 0 261.369 2.165 10 0 CEAERO Cc1cncc(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C(F)(F)F)c1 ZINC000299742349 379125783 /nfs/dbraw/zinc/12/57/83/379125783.db2.gz HFANKALFNAFSHY-GHMZBOCLSA-N 1 0 287.285 2.069 10 0 CEAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)NCc1ccccc1 ZINC000300405554 379164878 /nfs/dbraw/zinc/16/48/78/379164878.db2.gz XQJYDWGNOARZTE-HOCLYGCPSA-N 1 0 287.407 2.455 10 0 CEAERO O=C(C1CCCCC1)N1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000305439131 379718420 /nfs/dbraw/zinc/71/84/20/379718420.db2.gz KZCLTDUKQWRPSB-CVEARBPZSA-N 1 0 294.439 2.014 10 0 CEAERO Cc1ccccc1[C@H](C)[NH2+]C[C@H](C)CS(C)(=O)=O ZINC000181555213 542273696 /nfs/dbraw/zinc/27/36/96/542273696.db2.gz UXHXWJNPYLOQHY-AAEUAGOBSA-N 1 0 269.410 2.326 10 0 CEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cccc(F)c1Cl ZINC000334437886 380411929 /nfs/dbraw/zinc/41/19/29/380411929.db2.gz ITTFVZDHOQMZSH-GZMMTYOYSA-N 1 0 270.735 2.236 10 0 CEAERO C[C@@H]([NH2+]C1CCN(C(N)=O)CC1)c1cc(F)ccc1F ZINC000037272430 542279627 /nfs/dbraw/zinc/27/96/27/542279627.db2.gz ZZUTZSQKAOCIQN-SECBINFHSA-N 1 0 283.322 2.159 10 0 CEAERO CC1(C)CN(C(=O)Nc2cccc3c2CCO3)CC[C@@H]1[NH3+] ZINC000334845888 207177053 /nfs/dbraw/zinc/17/70/53/207177053.db2.gz AIXBFJUFGFRYIV-AWEZNQCLSA-N 1 0 289.379 2.213 10 0 CEAERO COC[C@@H](C)C[NH2+][C@@H](C)CN(C)Cc1ccccc1 ZINC000188217491 542320546 /nfs/dbraw/zinc/32/05/46/542320546.db2.gz POSNLXFRPLQQHM-GJZGRUSLSA-N 1 0 264.413 2.379 10 0 CEAERO CCC(=O)Nc1cccc(NC(=O)C[NH2+][C@@H](C)CC)c1 ZINC000040809666 184548553 /nfs/dbraw/zinc/54/85/53/184548553.db2.gz NPVIDKKHXWNXFM-NSHDSACASA-N 1 0 277.368 2.362 10 0 CEAERO CN(CCc1ccncc1)C(=[NH2+])NC1CCCCC1 ZINC000052045674 184566989 /nfs/dbraw/zinc/56/69/89/184566989.db2.gz UTKGFSJSLMBEEO-UHFFFAOYSA-N 1 0 260.385 2.413 10 0 CEAERO CC(C)C[NH2+]Cc1cnc(N2CCCOCC2)s1 ZINC000061936823 184567964 /nfs/dbraw/zinc/56/79/64/184567964.db2.gz XEZPAGJNHJTBSZ-UHFFFAOYSA-N 1 0 269.414 2.115 10 0 CEAERO C[NH2+]Cc1ccc(N2CCc3ccccc3CC2)nc1 ZINC000079575508 184594234 /nfs/dbraw/zinc/59/42/34/184594234.db2.gz BNYJVJLSBYDJAD-UHFFFAOYSA-N 1 0 267.376 2.406 10 0 CEAERO C[C@H](O[C@]1(C[NH3+])CC[C@@H](C)C1)C(=O)N1CCCCCC1 ZINC000086723874 184610306 /nfs/dbraw/zinc/61/03/06/184610306.db2.gz MRQAIFDFVMHXDE-IJEWVQPXSA-N 1 0 282.428 2.312 10 0 CEAERO Fc1cc(N[C@H]2CC[NH2+]C2)ccc1Br ZINC000086730687 184611237 /nfs/dbraw/zinc/61/12/37/184611237.db2.gz JGTPYZJHANEPLG-QMMMGPOBSA-N 1 0 259.122 2.362 10 0 CEAERO CCC[NH2+]Cc1cc(S(=O)(=O)N(C)C(C)C)cs1 ZINC000088917186 184614230 /nfs/dbraw/zinc/61/42/30/184614230.db2.gz MZLRETWIBKCKFS-UHFFFAOYSA-N 1 0 290.454 2.277 10 0 CEAERO CC(C)[NH2+]CCCCS(=O)(=O)N1[C@H](C)CCC[C@H]1C ZINC000088926842 184614362 /nfs/dbraw/zinc/61/43/62/184614362.db2.gz ILKYNDNFZUGILA-ZIAGYGMSSA-N 1 0 290.473 2.357 10 0 CEAERO CC[NH2+][C@H]1CCC2(C[C@@H]1OCC1CCCC1)OCCO2 ZINC000090808508 184617311 /nfs/dbraw/zinc/61/73/11/184617311.db2.gz XOJOJVYOYMUSDM-GJZGRUSLSA-N 1 0 283.412 2.467 10 0 CEAERO CC1(C)C(CNS(=O)(=O)c2ccc(C[NH3+])cc2)C1(C)C ZINC000092817183 184628750 /nfs/dbraw/zinc/62/87/50/184628750.db2.gz MNBFOMBTZMWFNY-UHFFFAOYSA-N 1 0 296.436 2.106 10 0 CEAERO COCC[NH2+]C[C@@H]1CCO[C@H]1c1cc(F)c(F)c(F)c1 ZINC000092882342 184633685 /nfs/dbraw/zinc/63/36/85/184633685.db2.gz GGYMBQPSNFBMLM-LKFCYVNXSA-N 1 0 289.297 2.418 10 0 CEAERO CCOc1cccc([C@H]2OCC[C@H]2C[NH2+]CCOC)c1 ZINC000092881822 184633796 /nfs/dbraw/zinc/63/37/96/184633796.db2.gz ZFPKFPLTNGHCIN-GOEBONIOSA-N 1 0 279.380 2.399 10 0 CEAERO CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000092954528 184637526 /nfs/dbraw/zinc/63/75/26/184637526.db2.gz JZFPWCKYTKILME-PWSUYJOCSA-N 1 0 282.334 2.311 10 0 CEAERO Cc1nn(C)c(C)c1-c1nn(C)cc1C[NH2+]C(C)(C)C ZINC000093297366 184661209 /nfs/dbraw/zinc/66/12/09/184661209.db2.gz BTKOWDYSEKRADH-UHFFFAOYSA-N 1 0 275.400 2.326 10 0 CEAERO Cn1cc(C[NH3+])c(-c2cccc(OC(F)(F)F)c2)n1 ZINC000093296831 184661489 /nfs/dbraw/zinc/66/14/89/184661489.db2.gz WPBVPYUXHZUOQA-UHFFFAOYSA-N 1 0 271.242 2.444 10 0 CEAERO O=[S@](C[C@H]1CC[NH2+]C1)c1nc2ccccc2nc1Cl ZINC000095069786 285191846 /nfs/dbraw/zinc/19/18/46/285191846.db2.gz NTQOQBGTCPXFMI-UGZDLDLSSA-N 1 0 295.795 2.000 10 0 CEAERO CCN1C(=[NH2+])NC[C@H]1c1ccccc1C(F)(F)F ZINC000093357782 184667340 /nfs/dbraw/zinc/66/73/40/184667340.db2.gz BVJAOAMTOXIGKX-JTQLQIEISA-N 1 0 257.259 2.397 10 0 CEAERO CC1(C)C[C@@]2(C[NH+]=C(N)N2Cc2cccs2)CCO1 ZINC000093392582 184670170 /nfs/dbraw/zinc/67/01/70/184670170.db2.gz JFVBAAAQZVOBKT-CQSZACIVSA-N 1 0 279.409 2.206 10 0 CEAERO COc1ccc(OC)c([C@H]2CNC(=[NH2+])N2C2CCCC2)c1 ZINC000093392147 184670802 /nfs/dbraw/zinc/67/08/02/184670802.db2.gz IXQIREVBMIIGOF-CQSZACIVSA-N 1 0 289.379 2.318 10 0 CEAERO C[C@H]([NH3+])CCCS(=O)(=O)c1ccc2c(c1)CCC2 ZINC000081930917 177900828 /nfs/dbraw/zinc/90/08/28/177900828.db2.gz XNOCUSCWBQFENF-NSHDSACASA-N 1 0 267.394 2.076 10 0 CEAERO CC[NH2+]CCCS(=O)(=O)c1cc(C)ccc1C ZINC000081922329 177896263 /nfs/dbraw/zinc/89/62/63/177896263.db2.gz VHEQLDLGDXKWHU-UHFFFAOYSA-N 1 0 255.383 2.077 10 0 CEAERO CCC[C@@H]([NH2+]CC)[C@@H](CC)Sc1n[nH]c(=O)n1CC ZINC000081879792 177874201 /nfs/dbraw/zinc/87/42/01/177874201.db2.gz URRQIMCKWPAPGZ-GHMZBOCLSA-N 1 0 286.445 2.240 10 0 CEAERO CC[NH2+][C@@H](CC)[C@H](C)Sc1n[nH]c(=O)n1C(C)C ZINC000081879372 177873366 /nfs/dbraw/zinc/87/33/66/177873366.db2.gz AUKCCOGNCAGPQE-UWVGGRQHSA-N 1 0 272.418 2.021 10 0 CEAERO Cc1ccccc1[C@@H]([NH3+])CSc1ncnc2[nH]cnc21 ZINC000081876459 177871191 /nfs/dbraw/zinc/87/11/91/177871191.db2.gz ZDSSXEXKYLWYCP-NSHDSACASA-N 1 0 285.376 2.453 10 0 CEAERO CCOc1ccc([C@H]([NH3+])CSc2nccc(=O)[nH]2)cc1 ZINC000081774807 177857330 /nfs/dbraw/zinc/85/73/30/177857330.db2.gz OFUMOPQGOFJWRP-GFCCVEGCSA-N 1 0 291.376 2.373 10 0 CEAERO C[NH2+][C@@H]1CCCCC[C@@H]1Sc1nnnn1C1CC1 ZINC000081867569 177867691 /nfs/dbraw/zinc/86/76/91/177867691.db2.gz ARXHJGUNMWEYPY-MNOVXSKESA-N 1 0 267.402 2.021 10 0 CEAERO CC(C)[C@@H]1CC[C@@H]([NH3+])[C@H](Sc2nncn2C)C1 ZINC000081866823 177866833 /nfs/dbraw/zinc/86/68/33/177866833.db2.gz OCVVRZQFIILYJI-GMTAPVOTSA-N 1 0 254.403 2.059 10 0 CEAERO CC[NH2+][C@@H]1CCC(C)(C)C[C@@H]1Sc1nncn1C ZINC000081866960 177866492 /nfs/dbraw/zinc/86/64/92/177866492.db2.gz STWMOXAHNSXJPO-MNOVXSKESA-N 1 0 268.430 2.464 10 0 CEAERO COCC[C@H](C)NC(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000081734899 177845964 /nfs/dbraw/zinc/84/59/64/177845964.db2.gz QVYVJTTUQBZFBA-WDEREUQCSA-N 1 0 265.357 2.253 10 0 CEAERO CN(C)c1nnc(S[C@H]2CCCCC[C@H]2[NH3+])s1 ZINC000081769142 177856711 /nfs/dbraw/zinc/85/67/11/177856711.db2.gz JKHRLMSFVRKUDC-BDAKNGLRSA-N 1 0 272.443 2.356 10 0 CEAERO CC(C)[C@H](C[NH+](C)C)Nc1ncnc2ccc(N)cc21 ZINC000081591916 177827498 /nfs/dbraw/zinc/82/74/98/177827498.db2.gz USKNYJFWHOAUDW-AWEZNQCLSA-N 1 0 273.384 2.210 10 0 CEAERO OCC[NH2+]CCN(Cc1ccccc1)Cc1ccccc1 ZINC000022029372 256810002 /nfs/dbraw/zinc/81/00/02/256810002.db2.gz WDVMRLHJCOEKJY-UHFFFAOYSA-N 1 0 284.403 2.271 10 0 CEAERO CC[C@](C)(C[NH3+])NC(=O)[C@@H]1CCCc2ccccc21 ZINC000080885343 177722753 /nfs/dbraw/zinc/72/27/53/177722753.db2.gz RZKMFHUDYVLNSA-GDBMZVCRSA-N 1 0 260.381 2.350 10 0 CEAERO CC[C@](C)(CO)[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000080898363 177724942 /nfs/dbraw/zinc/72/49/42/177724942.db2.gz XFESXIDOKXIXLQ-CHWSQXEVSA-N 1 0 257.761 2.124 10 0 CEAERO Cc1cc(O)ccc1NC(=O)CCC[NH2+]C(C)C ZINC000080358921 177645392 /nfs/dbraw/zinc/64/53/92/177645392.db2.gz OAAXTAXIRYEHNL-UHFFFAOYSA-N 1 0 250.342 2.417 10 0 CEAERO CC[NH2+][C@H]1CCC[C@H]1CCn1c(C)nc(C)cc1=O ZINC000093557574 184690992 /nfs/dbraw/zinc/69/09/92/184690992.db2.gz KOQSASWIUBZPGT-KBPBESRZSA-N 1 0 263.385 2.028 10 0 CEAERO C[NH2+][C@@H]1CCC[C@@H]1CCSc1ncnc2[nH]cnc21 ZINC000093578741 184691793 /nfs/dbraw/zinc/69/17/93/184691793.db2.gz LQVIUKVQQBUQQI-NXEZZACHSA-N 1 0 277.397 2.223 10 0 CEAERO CC[NH2+][C@H]1CCC[C@@H]1CCSCC(=O)OCC ZINC000093578046 184692201 /nfs/dbraw/zinc/69/22/01/184692201.db2.gz NUJWTXDWNXTLNV-NEPJUHHUSA-N 1 0 259.415 2.451 10 0 CEAERO CC[NH2+][C@]1(C(=O)[O-])CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC000093582827 184692757 /nfs/dbraw/zinc/69/27/57/184692757.db2.gz PBTPZRDCOUECJJ-GDBMZVCRSA-N 1 0 282.428 2.341 10 0 CEAERO CCCC1CC[NH+](CC[C@@H]2CCC[C@@]2([NH3+])C(=O)[O-])CC1 ZINC000093592960 184694032 /nfs/dbraw/zinc/69/40/32/184694032.db2.gz UHAATFDNFRTMCW-HOCLYGCPSA-N 1 0 282.428 2.471 10 0 CEAERO C[NH2+][C@]1(CO)CCC[C@@H]1CCN(C)c1ccccc1OC ZINC000093615344 184695514 /nfs/dbraw/zinc/69/55/14/184695514.db2.gz DQKXGLJPLHAGFS-PBHICJAKSA-N 1 0 292.423 2.272 10 0 CEAERO CCC[NH2+][C@]1(CO)CCC[C@H]1CCn1cnc(C)c1C ZINC000093618463 184696563 /nfs/dbraw/zinc/69/65/63/184696563.db2.gz HLDZLLAORHUZKG-HOTGVXAUSA-N 1 0 279.428 2.421 10 0 CEAERO Cc1ccnn1CC[C@@H]1CCC[C@@]1(CO)[NH2+]C(C)C ZINC000093619041 184696721 /nfs/dbraw/zinc/69/67/21/184696721.db2.gz FHEQNFGPPJHOFF-GJZGRUSLSA-N 1 0 265.401 2.111 10 0 CEAERO [NH3+][C@]1(CO)CCC[C@@H]1CCOCC1CCCCC1 ZINC000093619326 184697006 /nfs/dbraw/zinc/69/70/06/184697006.db2.gz XDEHZOMYFYUYBU-CABCVRRESA-N 1 0 255.402 2.463 10 0 CEAERO C[NH2+][C@@]1(CO)CCC[C@@H]1CCOc1cc(F)ccc1F ZINC000093619434 184697494 /nfs/dbraw/zinc/69/74/94/184697494.db2.gz GDMTXNRQRFOPEZ-IAQYHMDHSA-N 1 0 285.334 2.484 10 0 CEAERO CC[NH2+][C@@]1(CO)CCC[C@@H]1CCSc1cnccn1 ZINC000093622248 184697689 /nfs/dbraw/zinc/69/76/89/184697689.db2.gz BKNNXBMLZYVCHP-TZMCWYRMSA-N 1 0 281.425 2.100 10 0 CEAERO NC(=O)[C@]1([NH3+])CCC[C@H]1CCSc1ccc(Cl)cn1 ZINC000093631210 184698659 /nfs/dbraw/zinc/69/86/59/184698659.db2.gz AIXDVNWVUVMHNR-ZANVPECISA-N 1 0 299.827 2.200 10 0 CEAERO CN(C)c1cccc(OCC[C@@H]2CCC[C@@]2(O)C[NH3+])c1 ZINC000093627523 184698983 /nfs/dbraw/zinc/69/89/83/184698983.db2.gz ZTHRACIZZDBCQK-XJKSGUPXSA-N 1 0 278.396 2.011 10 0 CEAERO CC(=O)c1csc(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000093677872 184704964 /nfs/dbraw/zinc/70/49/64/184704964.db2.gz KEDVBIODULPQOA-FGWVZKOKSA-N 1 0 293.392 2.205 10 0 CEAERO CCC[NH2+][C@@]1(CO)CCC[C@@H](SCCCOC)C1 ZINC000093786308 184721982 /nfs/dbraw/zinc/72/19/82/184721982.db2.gz LFPAEJNKQCYDQI-KGLIPLIRSA-N 1 0 275.458 2.429 10 0 CEAERO CC(C)[NH2+][C@]1(CO)CCC[C@H](Sc2ccncn2)C1 ZINC000093786293 184722099 /nfs/dbraw/zinc/72/20/99/184722099.db2.gz PXIATAVPALNMMP-GXTWGEPZSA-N 1 0 281.425 2.240 10 0 CEAERO CCC[NH2+][C@H]1CC[C@@H](n2nc(CC)nc2CC)C1 ZINC000093798380 184723274 /nfs/dbraw/zinc/72/32/74/184723274.db2.gz DYRPPVSUOASNAC-NWDGAFQWSA-N 1 0 250.390 2.496 10 0 CEAERO Cc1ccc(C(N)=S)c(OCC(C)(C)[NH+](C)C)c1 ZINC000093955114 184745780 /nfs/dbraw/zinc/74/57/80/184745780.db2.gz NFKLFQFBXZXJAL-UHFFFAOYSA-N 1 0 266.410 2.348 10 0 CEAERO Cc1ccc(NC(=O)N(C)CC2CC[NH2+]CC2)cc1 ZINC000094023548 184751337 /nfs/dbraw/zinc/75/13/37/184751337.db2.gz ULZJVDLPNQESDJ-UHFFFAOYSA-N 1 0 261.369 2.458 10 0 CEAERO CCc1cc(N(CC2CC[NH2+]CC2)C2CC2)ncn1 ZINC000094044465 184752176 /nfs/dbraw/zinc/75/21/76/184752176.db2.gz VKJLASNGSDPXNB-UHFFFAOYSA-N 1 0 260.385 2.007 10 0 CEAERO CC[NH2+][C@@H](Cc1nc(-c2ccc(F)cn2)no1)C1CC1 ZINC000094051281 184752473 /nfs/dbraw/zinc/75/24/73/184752473.db2.gz LKSHJVCAKZRLKA-LBPRGKRZSA-N 1 0 276.315 2.201 10 0 CEAERO CCOc1cccc(N(CC2CC[NH2+]CC2)C2CC2)n1 ZINC000094044798 184752618 /nfs/dbraw/zinc/75/26/18/184752618.db2.gz PKZSLPUZWFBOFZ-UHFFFAOYSA-N 1 0 275.396 2.449 10 0 CEAERO CC[C@H]([NH3+])Cc1ccc(OCc2ccncc2)cn1 ZINC000094216479 184764223 /nfs/dbraw/zinc/76/42/23/184764223.db2.gz IGAKHUNGJHMLIP-ZDUSSCGKSA-N 1 0 257.337 2.335 10 0 CEAERO CC[C@@](C)([NH3+])C(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000094234491 184767431 /nfs/dbraw/zinc/76/74/31/184767431.db2.gz SIBIEHIHYUCSGU-OAHLLOKOSA-N 1 0 264.344 2.444 10 0 CEAERO C[C@@H](Cc1ccc(F)cc1)Nc1ccc(N)c(N)[nH+]1 ZINC000094260436 184770918 /nfs/dbraw/zinc/77/09/18/184770918.db2.gz GEEGTAPZIPLCRX-VIFPVBQESA-N 1 0 260.316 2.428 10 0 CEAERO CC1(C)CCC[C@H](N2CCN(CC(F)(F)F)CC2)[C@H]1[NH3+] ZINC000094275377 184774085 /nfs/dbraw/zinc/77/40/85/184774085.db2.gz DZMRLYBVQWFVDZ-NWDGAFQWSA-N 1 0 293.377 2.072 10 0 CEAERO COCC[NH2+]Cc1nc2c(s1)CCCC2(C)C ZINC000094279014 184774958 /nfs/dbraw/zinc/77/49/58/184774958.db2.gz JXGZXNZKORIGAL-UHFFFAOYSA-N 1 0 254.399 2.493 10 0 CEAERO Cc1cccc(CS(=O)(=O)[C@@H]2CCC(C)(C)[C@H]2[NH3+])c1 ZINC000094311509 184778539 /nfs/dbraw/zinc/77/85/39/184778539.db2.gz KOCPXGPHEOXUJR-KGLIPLIRSA-N 1 0 281.421 2.426 10 0 CEAERO CC[C@@]1(C(=O)N[C@H]2CCCCC2(C)C)CC[NH2+]C1 ZINC000094328020 184781327 /nfs/dbraw/zinc/78/13/27/184781327.db2.gz MANRJACQEWNMSI-SWLSCSKDSA-N 1 0 252.402 2.461 10 0 CEAERO C[C@H](Oc1c(F)cc(C[NH2+]C(C)(C)C)cc1F)C(N)=O ZINC000094347848 184787027 /nfs/dbraw/zinc/78/70/27/184787027.db2.gz WGAQHJHZMAJRFA-QMMMGPOBSA-N 1 0 286.322 2.106 10 0 CEAERO C[C@H]([NH3+])c1cccc(O[C@@H]2CCO[C@@]3(CCOC3)C2)c1 ZINC000094364096 184789352 /nfs/dbraw/zinc/78/93/52/184789352.db2.gz FWIKYTWIYRSNND-MAZHCROVSA-N 1 0 277.364 2.423 10 0 CEAERO C(CC1CCCC1)[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000094368285 184790299 /nfs/dbraw/zinc/79/02/99/184790299.db2.gz URKANHXBFRRQIH-GJZGRUSLSA-N 1 0 253.386 2.494 10 0 CEAERO Fc1cc(F)cc(CC[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c1 ZINC000094372073 184790616 /nfs/dbraw/zinc/79/06/16/184790616.db2.gz BZEJQNRCTQLEIY-JKSUJKDBSA-N 1 0 297.345 2.435 10 0 CEAERO O[C@@]1([C@H]2CCOC3(CCCCC3)C2)CCC[NH2+]C1 ZINC000094386056 184791903 /nfs/dbraw/zinc/79/19/03/184791903.db2.gz YYTVNYCNQASKIA-ZFWWWQNUSA-N 1 0 253.386 2.230 10 0 CEAERO OC1([C@@H]2CCOC3(CCCC3)C2)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000094386090 184792352 /nfs/dbraw/zinc/79/23/52/184792352.db2.gz FAARXHQOYNDEST-GODZRQRCSA-N 1 0 265.397 2.371 10 0 CEAERO C[C@@H]1CNC[C@H](C)[N@H+]1[C@@H]1CCOC2(CCCC2)C1 ZINC000094384130 184792570 /nfs/dbraw/zinc/79/25/70/184792570.db2.gz WOZBMKPAOMVVGL-HZSPNIEDSA-N 1 0 252.402 2.160 10 0 CEAERO C[NH+](C)C1(C(=O)[C@H]2CCO[C@@]3(CCOC3)C2)CCCCC1 ZINC000094394216 184792931 /nfs/dbraw/zinc/79/29/31/184792931.db2.gz RHVHTPWJYFOEFV-HOCLYGCPSA-N 1 0 295.423 2.406 10 0 CEAERO CC(C)(C)[NH2+]C[C@H](O)[C@@H]1CCOC2(CCSCC2)C1 ZINC000094418522 184794858 /nfs/dbraw/zinc/79/48/58/184794858.db2.gz JBESDNNOYFVYII-OLZOCXBDSA-N 1 0 287.469 2.428 10 0 CEAERO CC(C)(C)[NH2+]C[C@](C)(O)[C@H]1CCOC2(CCOCC2)C1 ZINC000094418936 184795014 /nfs/dbraw/zinc/79/50/14/184795014.db2.gz QVPVFQCQJLQMPK-ZFWWWQNUSA-N 1 0 285.428 2.101 10 0 CEAERO C[NH2+]CC[C@@](C)(O)[C@H]1CCOC2(CCSCC2)C1 ZINC000094418616 184795096 /nfs/dbraw/zinc/79/50/96/184795096.db2.gz LWDFWMAVMMWMEB-QWHCGFSZSA-N 1 0 273.442 2.039 10 0 CEAERO COC(=O)c1sccc1NC(=O)[C@H]1CCCCC[C@H]1[NH3+] ZINC000094752611 184853078 /nfs/dbraw/zinc/85/30/78/184853078.db2.gz PJXKSINCIOHGIJ-VHSXEESVSA-N 1 0 296.392 2.381 10 0 CEAERO CCC[NH2+][C@H](Cc1ncnn1CCC)[C@]1(C)CCCO1 ZINC000094785181 184862881 /nfs/dbraw/zinc/86/28/81/184862881.db2.gz XOZRKMJLHPEHRU-HIFRSBDPSA-N 1 0 280.416 2.168 10 0 CEAERO CC(C)CN(C(=O)[C@@H]1C=C[C@@H]([NH3+])C1)C1CCCC1 ZINC000094847347 184879644 /nfs/dbraw/zinc/87/96/44/184879644.db2.gz HAWLNJYYCWMIMR-CHWSQXEVSA-N 1 0 250.386 2.317 10 0 CEAERO C[C@@]1(C[NH2+][C@@H]2CCS(=O)(=O)c3ccccc32)CCCO1 ZINC000094798219 184867314 /nfs/dbraw/zinc/86/73/14/184867314.db2.gz CCWYRBZJXLHIQR-HIFRSBDPSA-N 1 0 295.404 2.064 10 0 CEAERO C[C@@H]([NH3+])Cc1c(N2CCC(C)(C)C2)nc2ccccn21 ZINC000094813399 184872962 /nfs/dbraw/zinc/87/29/62/184872962.db2.gz LFCIKCLEDYVWRP-GFCCVEGCSA-N 1 0 272.396 2.460 10 0 CEAERO CO[C@@H]1CC[N@H+](C[C@@H](O)COCc2ccccc2)[C@@H](C)C1 ZINC000281516296 195270916 /nfs/dbraw/zinc/27/09/16/195270916.db2.gz AJEIONLDRBBHKD-USXIJHARSA-N 1 0 293.407 2.063 10 0 CEAERO C[C@]1(c2cc(F)cc(F)c2)CNC(=[NH2+])N1CC1CC1 ZINC000094831923 184877639 /nfs/dbraw/zinc/87/76/39/184877639.db2.gz BEYKIPYOWRRNRB-CQSZACIVSA-N 1 0 265.307 2.220 10 0 CEAERO COc1ccc(N2C(=[NH2+])NC[C@]23CCCS[C@@H]3C)cc1 ZINC000094481350 184808882 /nfs/dbraw/zinc/80/88/82/184808882.db2.gz ATYRGVRVKAINCA-ABAIWWIYSA-N 1 0 291.420 2.484 10 0 CEAERO CC[C@H](C)N1C(N)=[NH+]C[C@@]12CSCCC2(C)C ZINC000094485898 184809465 /nfs/dbraw/zinc/80/94/65/184809465.db2.gz NEYHBKRYSZDLNI-GWCFXTLKSA-N 1 0 255.431 2.317 10 0 CEAERO CC[NH2+][C@H](Cc1cc(CC)nn1CC)[C@@H]1CSCCO1 ZINC000094503990 184811478 /nfs/dbraw/zinc/81/14/78/184811478.db2.gz CSOZMERVJRLCJG-CABCVRRESA-N 1 0 297.468 2.118 10 0 CEAERO C[NH2+][C@@H](c1ccc(OC)cc1)[C@@H]1CSCCO1 ZINC000094503150 184811734 /nfs/dbraw/zinc/81/17/34/184811734.db2.gz UHRYHDGCSTYFFM-STQMWFEESA-N 1 0 253.367 2.088 10 0 CEAERO Cc1oc(C)c(C(=O)N2C[C@@H](C)C[C@H]([NH3+])C2)c1C ZINC000094548843 184815564 /nfs/dbraw/zinc/81/55/64/184815564.db2.gz XWZFYGGUCAQCFF-UFBFGSQYSA-N 1 0 250.342 2.014 10 0 CEAERO C[C@H]1C[C@@H]([NH3+])CN(C(=O)c2ccccc2OC(F)F)C1 ZINC000094549237 184815935 /nfs/dbraw/zinc/81/59/35/184815935.db2.gz IZOGBQIHPCHKLQ-VHSXEESVSA-N 1 0 284.306 2.097 10 0 CEAERO CC(C)[C@@H]([NH3+])Cc1nc(-c2ccc(Cl)cn2)no1 ZINC000094845605 184878469 /nfs/dbraw/zinc/87/84/69/184878469.db2.gz DBGBADDUDGQHCL-VIFPVBQESA-N 1 0 266.732 2.311 10 0 CEAERO [NH3+]C[C@H]1CC[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)O1 ZINC000094563331 184818836 /nfs/dbraw/zinc/81/88/36/184818836.db2.gz IPNNEMHJJPUVJJ-GHMZBOCLSA-N 1 0 289.162 2.438 10 0 CEAERO C[C@@H](NC(=O)[C@H]1CC[C@H](C[NH3+])O1)c1ccc(Cl)cc1 ZINC000094570396 184820299 /nfs/dbraw/zinc/82/02/99/184820299.db2.gz MIZBTQVGVBLEBM-OASPWFOLSA-N 1 0 282.771 2.024 10 0 CEAERO [NH3+]C[C@@H]1CC[C@H](C(=O)N2CCC3(CCCCC3)CC2)O1 ZINC000094571593 184820318 /nfs/dbraw/zinc/82/03/18/184820318.db2.gz YLZBNFRJZGDTRX-UONOGXRCSA-N 1 0 280.412 2.066 10 0 CEAERO Cc1cc(C)c(O)c(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000094574550 184821219 /nfs/dbraw/zinc/82/12/19/184821219.db2.gz ODMSYOIZIVEEPL-VXGBXAGGSA-N 1 0 262.353 2.323 10 0 CEAERO C[NH2+][C@@H](Cc1csc(C)n1)Cc1ccc(OC)nc1 ZINC000094632687 184830829 /nfs/dbraw/zinc/83/08/29/184830829.db2.gz SXQHTEVRJGQYDL-GFCCVEGCSA-N 1 0 277.393 2.228 10 0 CEAERO CC[NH2+][C@H](Cc1nccs1)Cc1ccc(OC)nc1 ZINC000094632955 184830946 /nfs/dbraw/zinc/83/09/46/184830946.db2.gz STCODZRYXSTEFP-LBPRGKRZSA-N 1 0 277.393 2.310 10 0 CEAERO C[NH2+]CC/C=C(/C)[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000094645257 184832243 /nfs/dbraw/zinc/83/22/43/184832243.db2.gz PAPWZGFXVQFKIH-RLLAQXBXSA-N 1 0 259.415 2.146 10 0 CEAERO COc1cccc(C[NH2+]C(C)C)c1O[C@@H](C)[C@H](C)O ZINC000094652909 184834525 /nfs/dbraw/zinc/83/45/25/184834525.db2.gz OXCJMGFKPWYHEA-RYUDHWBXSA-N 1 0 267.369 2.341 10 0 CEAERO CC(C)Cn1ncnc1C[C@@H](C)[C@@H](C)[NH2+]C(C)C ZINC000094655775 184835562 /nfs/dbraw/zinc/83/55/62/184835562.db2.gz FETJSOBGSARHKN-CHWSQXEVSA-N 1 0 252.406 2.499 10 0 CEAERO Cc1ccc2c(c1)C(=O)N([C@@H]1CC[C@H](C)[NH2+][C@@H]1C)C2=O ZINC000094666272 184838335 /nfs/dbraw/zinc/83/83/35/184838335.db2.gz OWECHYLMENHRBH-MISXGVKJSA-N 1 0 272.348 2.120 10 0 CEAERO CC(C)C[C@H](C[NH3+])C(=O)Nc1ccc2c[nH]nc2c1 ZINC000094697928 184841725 /nfs/dbraw/zinc/84/17/25/184841725.db2.gz ZFABTDGSPRKJGF-LLVKDONJSA-N 1 0 260.341 2.122 10 0 CEAERO CCOC(=O)c1ccccc1NC(=O)[C@@H](C[NH3+])CC(C)C ZINC000094699536 184842820 /nfs/dbraw/zinc/84/28/20/184842820.db2.gz OTERGMTYJVFZAH-GFCCVEGCSA-N 1 0 292.379 2.423 10 0 CEAERO CC1(c2nc(-c3ccc(Cl)cn3)no2)CC[NH2+]CC1 ZINC000094842368 184879100 /nfs/dbraw/zinc/87/91/00/184879100.db2.gz CFQVKCINOQLRJQ-UHFFFAOYSA-N 1 0 278.743 2.426 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Cc3cccc(F)c3F)C[C@@H]2C1 ZINC000094713501 184845552 /nfs/dbraw/zinc/84/55/52/184845552.db2.gz HPHFFONZFWCQNB-FRRDWIJNSA-N 1 0 294.345 2.093 10 0 CEAERO CCC[NH2+][C@H](Cc1nc(C)cs1)[C@@H]1CSCCO1 ZINC000094974708 184909131 /nfs/dbraw/zinc/90/91/31/184909131.db2.gz GQNKXYHSWOPNOQ-NEPJUHHUSA-N 1 0 286.466 2.494 10 0 CEAERO C[C@@H]1CC[NH2+][C@H](C2CC2)CN1Cc1nccs1 ZINC000094980702 184909978 /nfs/dbraw/zinc/90/99/78/184909978.db2.gz COQFMARVXAWNLB-PWSUYJOCSA-N 1 0 251.399 2.106 10 0 CEAERO CCC[C@H]1C[NH2+][C@@H](C2CC2)CN1Cc1nccs1 ZINC000094980434 184910024 /nfs/dbraw/zinc/91/00/24/184910024.db2.gz VZQRRRIYWIVOFK-QWHCGFSZSA-N 1 0 265.426 2.496 10 0 CEAERO CCCCCC(C)(C)C[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC000094983056 184910239 /nfs/dbraw/zinc/91/02/39/184910239.db2.gz RYZVSTIWSMVCCP-NSHDSACASA-N 1 0 271.405 2.027 10 0 CEAERO CCCCCC(C)(C)CNC(=O)C1(C[NH3+])CCOCC1 ZINC000094986822 184910927 /nfs/dbraw/zinc/91/09/27/184910927.db2.gz RNKNRAZYOLBDJG-UHFFFAOYSA-N 1 0 284.444 2.465 10 0 CEAERO COc1ncccc1CN1CCC[C@H]1C[NH2+]CC(C)C ZINC000095008410 184914760 /nfs/dbraw/zinc/91/47/60/184914760.db2.gz PUMMBSFDAHLZQS-HNNXBMFYSA-N 1 0 277.412 2.300 10 0 CEAERO CCCN(C(=O)CCCOC)c1ccc(C[NH3+])cc1 ZINC000095033579 184919645 /nfs/dbraw/zinc/91/96/45/184919645.db2.gz SXGFJQBYETUQEJ-UHFFFAOYSA-N 1 0 264.369 2.315 10 0 CEAERO CC[NH2+]Cc1ccccc1NC(=O)c1n[nH]c(C2CC2)n1 ZINC000095045110 184923311 /nfs/dbraw/zinc/92/33/11/184923311.db2.gz REWREGHMDFZZHU-UHFFFAOYSA-N 1 0 285.351 2.044 10 0 CEAERO C[C@@H](C[NH3+])c1noc(Cc2ccc(F)c(F)c2)n1 ZINC000095059019 184926765 /nfs/dbraw/zinc/92/67/65/184926765.db2.gz KJLSGDOBNBVLHU-ZETCQYMHSA-N 1 0 253.252 2.001 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1cc(OC)ccc1F ZINC000094854969 184881598 /nfs/dbraw/zinc/88/15/98/184881598.db2.gz RWKLQYDPQULVJP-VIFPVBQESA-N 1 0 254.305 2.018 10 0 CEAERO CC(C)C[N@H+](C[C@](C)(CO)NC1CC1)C1CCCC1 ZINC000094853633 184881799 /nfs/dbraw/zinc/88/17/99/184881799.db2.gz BVYMVDAKPXVZFP-MRXNPFEDSA-N 1 0 268.445 2.390 10 0 CEAERO Cc1cscc1-c1noc(COC2CC[NH2+]CC2)n1 ZINC000094862862 184884000 /nfs/dbraw/zinc/88/40/00/184884000.db2.gz IAWBCJOBHGFVCT-UHFFFAOYSA-N 1 0 279.365 2.375 10 0 CEAERO [NH3+]CCOc1cccc(Nc2ncnc3c2CCCC3)c1 ZINC000094872469 184885450 /nfs/dbraw/zinc/88/54/50/184885450.db2.gz OVGVATDODVCZEZ-UHFFFAOYSA-N 1 0 284.363 2.437 10 0 CEAERO CCc1ccsc1CN1CCC[C@@H]([NH2+]C)C1=O ZINC000094884880 184887087 /nfs/dbraw/zinc/88/70/87/184887087.db2.gz ZCAIBUIHZUNQPT-LLVKDONJSA-N 1 0 252.383 2.021 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)N(CC)Cc1cccc(C)n1 ZINC000094912519 184892323 /nfs/dbraw/zinc/89/23/23/184892323.db2.gz ZDACIXOBBNHOBP-ZDUSSCGKSA-N 1 0 263.385 2.114 10 0 CEAERO Cc1ccc(C(=O)N(CC[NH3+])C2CCCC2)c(F)c1 ZINC000094913098 184892328 /nfs/dbraw/zinc/89/23/28/184892328.db2.gz XQPDIOLVWOKJEY-UHFFFAOYSA-N 1 0 264.344 2.478 10 0 CEAERO CC[C@H](CCO)C[NH2+][C@H](C)c1c(C)nn(C)c1C ZINC000094948834 184901923 /nfs/dbraw/zinc/90/19/23/184901923.db2.gz XKJRLQLVXAVMLQ-ZWNOBZJWSA-N 1 0 253.390 2.096 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)C[C@@H]2CC[NH2+]C2)cc1F ZINC000094956613 184903894 /nfs/dbraw/zinc/90/38/94/184903894.db2.gz FKRXMKDYEWTWPX-NEPJUHHUSA-N 1 0 264.344 2.311 10 0 CEAERO C[C@H]1CC(C[NH2+]Cc2ccc(C(N)=O)cc2)C[C@H](C)O1 ZINC000282350800 195582979 /nfs/dbraw/zinc/58/29/79/195582979.db2.gz VPMGACZPBIYNTC-RYUDHWBXSA-N 1 0 276.380 2.079 10 0 CEAERO O[C@]12CCCC[C@H]1C[N@H+](C[C@@H]1CCCOC1)CC2 ZINC000336723455 285379073 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2.347 10 0 CEAERO CCc1cc(CC)nc(N2CC[C@@H](C)[C@H](C[NH3+])C2)n1 ZINC000261581440 153773935 /nfs/dbraw/zinc/77/39/35/153773935.db2.gz FZZPZKOEOUAMSK-VXGBXAGGSA-N 1 0 262.401 2.023 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1cccc(OCCF)c1 ZINC000261639356 153792902 /nfs/dbraw/zinc/79/29/02/153792902.db2.gz CKXKTOHCXOBGIH-BXUZGUMPSA-N 1 0 280.343 2.348 10 0 CEAERO C[C@@H](NC(=O)C[C@H](C)[NH3+])c1nc(-c2ccncc2)cs1 ZINC000261709997 153814858 /nfs/dbraw/zinc/81/48/58/153814858.db2.gz DIFPUHWMISZQML-VHSXEESVSA-N 1 0 290.392 2.120 10 0 CEAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)C1CC(F)(F)C1 ZINC000261707002 153817606 /nfs/dbraw/zinc/81/76/06/153817606.db2.gz UQLLTVXQIPZLDS-LRSDLPTKSA-N 1 0 272.339 2.054 10 0 CEAERO Cc1ccc([C@H]2CCCN2C(=O)C[C@H](C)[NH3+])s1 ZINC000261756152 153828540 /nfs/dbraw/zinc/82/85/40/153828540.db2.gz HRGIMTGGBNXCFJ-GXSJLCMTSA-N 1 0 252.383 2.457 10 0 CEAERO C[C@@H]1CN(C(=O)c2cccc(OC(F)(F)F)c2)C[C@H]1[NH3+] ZINC000261796362 153845594 /nfs/dbraw/zinc/84/55/94/153845594.db2.gz QXLWTVRXNPNQLN-LDYMZIIASA-N 1 0 288.269 2.004 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)CCc1cc(Cl)cs1 ZINC000261830200 153852492 /nfs/dbraw/zinc/85/24/92/153852492.db2.gz VIAIKJRHEZWCCC-QMMMGPOBSA-N 1 0 260.790 2.058 10 0 CEAERO COc1cc(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)ccc1F ZINC000261857962 153859039 /nfs/dbraw/zinc/85/90/39/153859039.db2.gz XNMZXDPTBHBTJN-ZDUSSCGKSA-N 1 0 280.343 2.034 10 0 CEAERO C[C@H]1[NH2+]CCN(Cc2cnc(C(F)(F)F)s2)[C@H]1C ZINC000261927535 153880377 /nfs/dbraw/zinc/88/03/77/153880377.db2.gz LCCBDRKBBKBICH-SFYZADRCSA-N 1 0 279.331 2.344 10 0 CEAERO Cc1ccc(-c2nc(CN[C@H]3CC[NH2+]C3)co2)cc1 ZINC000262026608 153899300 /nfs/dbraw/zinc/89/93/00/153899300.db2.gz GNXBHKHKZKAKNE-ZDUSSCGKSA-N 1 0 257.337 2.102 10 0 CEAERO C[C@H](CN(C)C(=O)[C@@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000262298697 153938745 /nfs/dbraw/zinc/93/87/45/153938745.db2.gz ZRHRINVDGOLUCU-OLZOCXBDSA-N 1 0 260.381 2.104 10 0 CEAERO Cc1ccc2oc(-c3nc([C@H]4C[NH2+]CCN4C)no3)cc2c1 ZINC000263166158 154028347 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C[C@@H]1C[C@@H]1[C@@H](NC(=O)C1C[NH2+]C1)c1ccc(Cl)cc1 ZINC000263293355 154051733 /nfs/dbraw/zinc/05/17/33/154051733.db2.gz LWOQGCQLVCMASV-IIMNLJJBSA-N 1 0 278.783 2.373 10 0 CEAERO C[C@@H](CCC1CC1)[NH2+]C1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263467829 154097776 /nfs/dbraw/zinc/09/77/76/154097776.db2.gz CZOGWYUQLKXUCX-JQRITLKVSA-N 1 0 294.439 2.482 10 0 CEAERO CC[C@H]1CC[C@@H]1[NH2+]C1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263531660 154116006 /nfs/dbraw/zinc/11/60/06/154116006.db2.gz WVHRSVYKBWQMES-PPWQZUPISA-N 1 0 280.412 2.092 10 0 CEAERO Cc1cccc(C(=O)N2CC[C@H]([NH3+])[C@H]2C)c1Cl ZINC000261563015 292421253 /nfs/dbraw/zinc/42/12/53/292421253.db2.gz WVMZCMUNJYZRLI-KOLCDFICSA-N 1 0 252.745 2.210 10 0 CEAERO C[C@@H]1CN(C(=O)CC23CC4CC(CC(C4)C2)C3)C[C@H]1[NH3+] ZINC000235366087 296805432 /nfs/dbraw/zinc/80/54/32/296805432.db2.gz BWBGVGWVMWZBHL-QDCKZUPOSA-N 1 0 276.424 2.399 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1cc(F)c(Cl)cc1F ZINC000167653201 162361398 /nfs/dbraw/zinc/36/13/98/162361398.db2.gz YCRYDZURJHHPKR-JVXZTZIISA-N 1 0 288.725 2.475 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCS[C@@H](C)C1 ZINC000171425681 162384771 /nfs/dbraw/zinc/38/47/71/162384771.db2.gz RGWGYPIORRJTJB-QWHCGFSZSA-N 1 0 287.473 2.110 10 0 CEAERO CC1(C)CN(C(=O)c2ccc(F)cc2F)CC[C@H]1[NH3+] ZINC000259125733 162539895 /nfs/dbraw/zinc/53/98/95/162539895.db2.gz UNRIJAZAWBOISE-GFCCVEGCSA-N 1 0 268.307 2.164 10 0 CEAERO CCc1ccc(CN2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cc1 ZINC000172247671 165054583 /nfs/dbraw/zinc/05/45/83/165054583.db2.gz YWJQHWSRKOQFOQ-HUUCEWRRSA-N 1 0 276.424 2.136 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CCC1CCOCC1 ZINC000173833028 165088837 /nfs/dbraw/zinc/08/88/37/165088837.db2.gz DYQHLWKMUSAEOK-OAHLLOKOSA-N 1 0 284.444 2.286 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1nccn1C(C)C ZINC000175333257 165134207 /nfs/dbraw/zinc/13/42/07/165134207.db2.gz DOMGWIIIOVWQDF-CQSZACIVSA-N 1 0 264.417 2.380 10 0 CEAERO CCc1nnc(NC(=O)N(C)C[C@@H]2CCC[N@H+]2CC)s1 ZINC000176264544 165161025 /nfs/dbraw/zinc/16/10/25/165161025.db2.gz FUMNZTGJGBEZQX-JTQLQIEISA-N 1 0 297.428 2.049 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(OC)cc1 ZINC000177005738 165180332 /nfs/dbraw/zinc/18/03/32/165180332.db2.gz ZQUZICCMFSIXLJ-CQSZACIVSA-N 1 0 276.380 2.252 10 0 CEAERO CCC[C@H](C)CC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000177442144 165200876 /nfs/dbraw/zinc/20/08/76/165200876.db2.gz WSPMXJPLUJRDES-GJZGRUSLSA-N 1 0 298.471 2.364 10 0 CEAERO CC(C)c1csc([C@H]2CCC[N@H+](CCO)C2)n1 ZINC000177814726 165211858 /nfs/dbraw/zinc/21/18/58/165211858.db2.gz RCYOCHMEEVJCQT-NSHDSACASA-N 1 0 254.399 2.438 10 0 CEAERO Cc1nccn1C[C@H]1CCC[N@H+]1CCOC(C)C ZINC000178288804 165230127 /nfs/dbraw/zinc/23/01/27/165230127.db2.gz SXYWBVZMGHLZFQ-CQSZACIVSA-N 1 0 251.374 2.081 10 0 CEAERO C[C@@H]([NH3+])CCNC(=O)CCc1cccc(Br)c1 ZINC000178661642 165253390 /nfs/dbraw/zinc/25/33/90/165253390.db2.gz RTIKJZTVDGBNQS-SNVBAGLBSA-N 1 0 299.212 2.235 10 0 CEAERO C[C@H](NC(=O)C[NH2+]CC1CC1)c1cccc(-n2ccnc2)c1 ZINC000178862676 165264915 /nfs/dbraw/zinc/26/49/15/165264915.db2.gz DLBGOURUFJKHSP-ZDUSSCGKSA-N 1 0 298.390 2.049 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cnn(C(C)C)c1C ZINC000180348558 165306287 /nfs/dbraw/zinc/30/62/87/165306287.db2.gz CRUBAWIEICPHIV-AWEZNQCLSA-N 1 0 292.427 2.329 10 0 CEAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H]1CCc3ccccc31)CC2 ZINC000180611376 165315523 /nfs/dbraw/zinc/31/55/23/165315523.db2.gz BFJLBDJLOHVWIR-HIFRSBDPSA-N 1 0 282.391 2.432 10 0 CEAERO C[NH+](C)C[C@@H]1CN(C(=O)C2(C)CCCCCC2)CCO1 ZINC000180804424 165322217 /nfs/dbraw/zinc/32/22/17/165322217.db2.gz MUTFEBAVERWHHB-CQSZACIVSA-N 1 0 282.428 2.136 10 0 CEAERO C[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1ccoc1 ZINC000180930923 165324368 /nfs/dbraw/zinc/32/43/68/165324368.db2.gz TUDFOZXXOMQJSY-OCCSQVGLSA-N 1 0 272.352 2.389 10 0 CEAERO CCn1cc([C@H](C)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cn1 ZINC000181285289 165336637 /nfs/dbraw/zinc/33/66/37/165336637.db2.gz XTBRHZHDHLWXGX-KCQAQPDRSA-N 1 0 264.417 2.282 10 0 CEAERO C[C@H](NC(=O)N[C@H]1C[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182857331 165378157 /nfs/dbraw/zinc/37/81/57/165378157.db2.gz XNMFZQZNWQADPR-COMQUAJESA-N 1 0 279.428 2.347 10 0 CEAERO C[C@@H](c1ccc(F)cc1F)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000247072850 287137677 /nfs/dbraw/zinc/13/76/77/287137677.db2.gz GPYUIEOHEBRRFO-AAEUAGOBSA-N 1 0 284.350 2.288 10 0 CEAERO [NH3+]CCNc1nccc(-c2ccc(Br)cc2)n1 ZINC000002538436 169805668 /nfs/dbraw/zinc/80/56/68/169805668.db2.gz XVLYUBBIOJHHGT-UHFFFAOYSA-N 1 0 293.168 2.277 10 0 CEAERO COc1cc(Br)c(C[C@@H](C)[NH3+])cc1OC ZINC000006036789 170170363 /nfs/dbraw/zinc/17/03/63/170170363.db2.gz JPDVAVONMYSOMF-SSDOTTSWSA-N 1 0 274.158 2.356 10 0 CEAERO COc1cc(CO)ccc1OCC[NH+]1CCCCC1 ZINC000009280651 170369975 /nfs/dbraw/zinc/36/99/75/170369975.db2.gz YIJUQQBQEMDYMA-UHFFFAOYSA-N 1 0 265.353 2.052 10 0 CEAERO C[C@@H](NS(=O)(=O)c1ccc(C[NH3+])cc1)c1ccccc1 ZINC000011849289 170447089 /nfs/dbraw/zinc/44/70/89/170447089.db2.gz YXIRMMIJZUPCFI-GFCCVEGCSA-N 1 0 290.388 2.185 10 0 CEAERO CN(C)[C@@H](C[NH3+])CCOc1ccc2c(c1)CCCC2 ZINC000019663881 170833736 /nfs/dbraw/zinc/83/37/36/170833736.db2.gz ZEAKJBOWLZZYLO-OAHLLOKOSA-N 1 0 262.397 2.223 10 0 CEAERO Cc1cc(C)cc(OCc2nnc(CCC[NH3+])o2)c1 ZINC000019728178 170845809 /nfs/dbraw/zinc/84/58/09/170845809.db2.gz YFZWTRDQKAQXTA-UHFFFAOYSA-N 1 0 261.325 2.157 10 0 CEAERO COc1ccc(C[C@H]([NH3+])c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000019842553 170890918 /nfs/dbraw/zinc/89/09/18/170890918.db2.gz FLLZHAPVMBPBFD-ZDUSSCGKSA-N 1 0 283.331 2.107 10 0 CEAERO C[C@H]([NH3+])c1cc(F)ccc1Sc1nnnn1C1CC1 ZINC000019874045 170903903 /nfs/dbraw/zinc/90/39/03/170903903.db2.gz HHPVNEGUUKJTPE-ZETCQYMHSA-N 1 0 279.344 2.318 10 0 CEAERO C[NH+](C)C[C@@H](NCc1cccnc1)c1ccccc1 ZINC000020129278 171017323 /nfs/dbraw/zinc/01/73/23/171017323.db2.gz SBMKEJOFRVZKCI-MRXNPFEDSA-N 1 0 255.365 2.474 10 0 CEAERO CN(C)C[C@@H]([NH2+]Cc1ccncc1)c1ccccc1 ZINC000020129286 171017466 /nfs/dbraw/zinc/01/74/66/171017466.db2.gz LJKVBNITQXWTSM-MRXNPFEDSA-N 1 0 255.365 2.474 10 0 CEAERO COc1ccc(CNC[C@@H](C(C)C)[NH+](C)C)cc1O ZINC000020145492 171031378 /nfs/dbraw/zinc/03/13/78/171031378.db2.gz QRRGABUBCSSAHH-ZDUSSCGKSA-N 1 0 266.385 2.077 10 0 CEAERO Cc1ccc(S(=O)(=O)CC[C@H]2CCCC[NH2+]2)cc1 ZINC000020183715 171046563 /nfs/dbraw/zinc/04/65/63/171046563.db2.gz CUEZJOIMVNIQCD-CYBMUJFWSA-N 1 0 267.394 2.301 10 0 CEAERO CCCCOc1ccc(C[NH2+]CCNC(C)=O)cc1 ZINC000020185073 171048131 /nfs/dbraw/zinc/04/81/31/171048131.db2.gz RZSIILQJVYSZBT-UHFFFAOYSA-N 1 0 264.369 2.091 10 0 CEAERO COCCOCCC[NH2+][C@H](C)c1ccc(O)cc1 ZINC000020192005 171058287 /nfs/dbraw/zinc/05/82/87/171058287.db2.gz RPSJTVBNUCUIGQ-GFCCVEGCSA-N 1 0 253.342 2.096 10 0 CEAERO Cc1ccc(S(=O)(=O)Nc2ccc(CC[NH3+])cc2)cc1 ZINC000020224443 171087275 /nfs/dbraw/zinc/08/72/75/171087275.db2.gz BYHOYLCOYLGXIN-UHFFFAOYSA-N 1 0 290.388 2.297 10 0 CEAERO CCCN(C)[C@H](C[NH3+])c1cc(OC)ccc1OC ZINC000020226461 171090941 /nfs/dbraw/zinc/09/09/41/171090941.db2.gz KBRTWVGMMSCTBH-CYBMUJFWSA-N 1 0 252.358 2.045 10 0 CEAERO CCOc1ccccc1[C@H](C[NH3+])N1CCSCC1 ZINC000020257044 171111882 /nfs/dbraw/zinc/11/18/82/171111882.db2.gz VMXPBPKXKJXCIP-ZDUSSCGKSA-N 1 0 266.410 2.134 10 0 CEAERO CCC(CC)NC(=O)[C@@H](C)[NH2+]Cc1ccc(OC)cc1 ZINC000020364368 171163069 /nfs/dbraw/zinc/16/30/69/171163069.db2.gz ZNVGMLPQMHVXHM-GFCCVEGCSA-N 1 0 278.396 2.478 10 0 CEAERO C[NH+](C)CCNc1ccc(Br)cc1N ZINC000020381680 171172718 /nfs/dbraw/zinc/17/27/18/171172718.db2.gz PSNAPJQFPBWWKN-UHFFFAOYSA-N 1 0 258.163 2.005 10 0 CEAERO CCC(C)(C)NC(=O)[C@H](C)Oc1ccccc1C[NH3+] ZINC000020386365 171175636 /nfs/dbraw/zinc/17/56/36/171175636.db2.gz YADYYRBHIMLYAJ-NSHDSACASA-N 1 0 264.369 2.217 10 0 CEAERO CC[C@@H]([NH3+])c1ccccc1O[C@H](C)C(=O)NCCCOC ZINC000020419912 171185224 /nfs/dbraw/zinc/18/52/24/171185224.db2.gz CVGMPTQBDUIBRX-TZMCWYRMSA-N 1 0 294.395 2.016 10 0 CEAERO C[C@@H](OC(C)(C)C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000020508668 171229648 /nfs/dbraw/zinc/22/96/48/171229648.db2.gz UKYMRJFJPFTUOF-SNVBAGLBSA-N 1 0 250.342 2.287 10 0 CEAERO CC(C)(C)OCCC(=O)Nc1cccc(C[NH3+])c1 ZINC000020508642 171229698 /nfs/dbraw/zinc/22/96/98/171229698.db2.gz XDTMBGQYVFMALN-UHFFFAOYSA-N 1 0 250.342 2.289 10 0 CEAERO NC(=O)C[C@H]([NH3+])c1cccc(Oc2ccccc2)c1 ZINC000020577909 171256426 /nfs/dbraw/zinc/25/64/26/171256426.db2.gz XZJBDQKUGQSVBJ-AWEZNQCLSA-N 1 0 256.305 2.354 10 0 CEAERO C[C@@H]1CCC[C@H](NC(=O)C[C@@H]2CCCC[NH2+]2)[C@@H]1C ZINC000020597424 171266260 /nfs/dbraw/zinc/26/62/60/171266260.db2.gz HMKAKSOYVVRNEI-MQYQWHSLSA-N 1 0 252.402 2.460 10 0 CEAERO CCOc1cc(C[NH2+]CC(C)C)ccc1OCCO ZINC000020934655 171281093 /nfs/dbraw/zinc/28/10/93/171281093.db2.gz PJYWFCUXLKQDHZ-UHFFFAOYSA-N 1 0 267.369 2.202 10 0 CEAERO CCC[NH2+]C[C@@H](O)COc1ccc(O)c2ccccc12 ZINC000022061127 171351512 /nfs/dbraw/zinc/35/15/12/171351512.db2.gz VNEVYWUJEGCYPZ-GFCCVEGCSA-N 1 0 275.348 2.285 10 0 in-vitro CEAERO O=C(Nc1ccc(Cl)c(Cl)c1)N1CC[NH2+]CC1 ZINC000022142986 171355413 /nfs/dbraw/zinc/35/54/13/171355413.db2.gz JOIBTILCZYNXDH-UHFFFAOYSA-N 1 0 274.151 2.431 10 0 CEAERO COc1ccccc1C(=O)Nc1cccc(C[NH3+])c1 ZINC000022146730 171356691 /nfs/dbraw/zinc/35/66/91/171356691.db2.gz PBRQSAIMRGDBPJ-UHFFFAOYSA-N 1 0 256.305 2.406 10 0 CEAERO CC[NH+](CC)CCCC(=O)Nc1ccc(F)cc1N ZINC000022152034 171359293 /nfs/dbraw/zinc/35/92/93/171359293.db2.gz LEZQJPRJCBVLEF-UHFFFAOYSA-N 1 0 267.348 2.468 10 0 CEAERO C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(F)c(N)c2)C1 ZINC000022154826 171361642 /nfs/dbraw/zinc/36/16/42/171361642.db2.gz VVXXLBAJLXTOHA-LLVKDONJSA-N 1 0 279.359 2.468 10 0 CEAERO Nc1cc(F)ccc1NC(=O)C[NH+]1CCCCCC1 ZINC000022156013 171362746 /nfs/dbraw/zinc/36/27/46/171362746.db2.gz RBFIONYDRDPFRQ-UHFFFAOYSA-N 1 0 265.332 2.222 10 0 CEAERO CC(=O)Nc1ccccc1Oc1ncccc1C[NH3+] ZINC000022162863 171364627 /nfs/dbraw/zinc/36/46/27/171364627.db2.gz VAXCAEJDTVYMEJ-UHFFFAOYSA-N 1 0 257.293 2.291 10 0 CEAERO COc1ccc(N)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000022162326 171364715 /nfs/dbraw/zinc/36/47/15/171364715.db2.gz GXLWDNRLLGPENX-VXGBXAGGSA-N 1 0 291.395 2.336 10 0 CEAERO C[C@H]1[C@H](NS(=O)(=O)c2ccccc2C[NH3+])CCC[C@@H]1C ZINC000022165823 171365640 /nfs/dbraw/zinc/36/56/40/171365640.db2.gz QFFMHZXKRHPIGI-OUCADQQQSA-N 1 0 296.436 2.248 10 0 CEAERO CN(c1ccc(Cl)cc1N)C1CC[NH+](C)CC1 ZINC000022165670 171365740 /nfs/dbraw/zinc/36/57/40/171365740.db2.gz UUWURRWSSZDDHF-UHFFFAOYSA-N 1 0 253.777 2.453 10 0 CEAERO C[C@H](C(=O)Nc1c(N)cc(Cl)cc1Cl)[NH+](C)C ZINC000022167240 171366188 /nfs/dbraw/zinc/36/61/88/171366188.db2.gz GBBGCOQUBVESQE-ZCFIWIBFSA-N 1 0 276.167 2.464 10 0 CEAERO Cc1ccc(NS(=O)(=O)c2ccccc2C[NH3+])cc1F ZINC000022168952 171367091 /nfs/dbraw/zinc/36/70/91/171367091.db2.gz DIKGOJKDXWCJBR-UHFFFAOYSA-N 1 0 294.351 2.394 10 0 CEAERO C[C@H]([NH3+])CCc1ccc(OCC(=O)NC(C)(C)C)cc1 ZINC000022170153 171367592 /nfs/dbraw/zinc/36/75/92/171367592.db2.gz GSENWELSDZPNPD-LBPRGKRZSA-N 1 0 278.396 2.260 10 0 CEAERO COc1ccc(N)cc1NC(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000022171531 171368285 /nfs/dbraw/zinc/36/82/85/171368285.db2.gz BVTIXFWJFMOHKG-GFCCVEGCSA-N 1 0 291.395 2.480 10 0 CEAERO C[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc(C[NH3+])c2)[C@@H]1C ZINC000022173419 171369382 /nfs/dbraw/zinc/36/93/82/171369382.db2.gz BFQDKNSJDNTJNV-LALPHHSUSA-N 1 0 296.436 2.248 10 0 CEAERO CC[C@H]([NH3+])c1ccc(OCC(=O)NCC(C)C)cc1 ZINC000022214272 171374720 /nfs/dbraw/zinc/37/47/20/171374720.db2.gz VQTLNCFENBYVFE-AWEZNQCLSA-N 1 0 264.369 2.247 10 0 CEAERO CCC[NH+]1CCN(C(=O)c2ccc(Cl)cc2N)CC1 ZINC000022221917 171378988 /nfs/dbraw/zinc/37/89/88/171378988.db2.gz HOHZOFKMCOXBHW-UHFFFAOYSA-N 1 0 281.787 2.090 10 0 CEAERO COc1cccc(OC)c1Oc1ncccc1C[NH3+] ZINC000022222396 171378996 /nfs/dbraw/zinc/37/89/96/171378996.db2.gz JDTCVVXRETUZFO-UHFFFAOYSA-N 1 0 260.293 2.350 10 0 CEAERO COc1cc2c(CC[NH3+])c[nH]c2cc1Br ZINC000034304545 171836670 /nfs/dbraw/zinc/83/66/70/171836670.db2.gz SUUXLETZLKLOKS-UHFFFAOYSA-N 1 0 269.142 2.440 10 0 CEAERO CCN(CC)C(=O)[C@@H](C)[NH2+][C@H]1CCOc2ccccc21 ZINC000035224768 172069115 /nfs/dbraw/zinc/06/91/15/172069115.db2.gz AWVGXLANOGNAPP-OCCSQVGLSA-N 1 0 276.380 2.357 10 0 CEAERO O=C(Nc1cc(Cl)ccc1F)[C@H]1CCC[NH2+]C1 ZINC000035284664 172102773 /nfs/dbraw/zinc/10/27/73/172102773.db2.gz RPPWBUUDEWQBLO-QMMMGPOBSA-N 1 0 256.708 2.417 10 0 CEAERO Cc1ccc([C@H]([NH3+])c2ccc3c(c2)NC(=O)CO3)s1 ZINC000035382338 172165678 /nfs/dbraw/zinc/16/56/78/172165678.db2.gz KXHAHKVDLSRZQI-CQSZACIVSA-N 1 0 274.345 2.436 10 0 CEAERO CCCC[C@H](N)c1nc(CC[NH+](CC)CC)no1 ZINC000035411346 172182794 /nfs/dbraw/zinc/18/27/94/172182794.db2.gz PRJITDRYVYBADK-NSHDSACASA-N 1 0 254.378 2.144 10 0 CEAERO CC[NH2+]Cc1c(N(C)C(C)C)nc2sccn12 ZINC000035429821 172198182 /nfs/dbraw/zinc/19/81/82/172198182.db2.gz SMFJWHLMGRBDOD-UHFFFAOYSA-N 1 0 252.387 2.350 10 0 CEAERO CC[NH2+]Cc1c(-n2nc(C)cc2C)nc2sccn12 ZINC000035430391 172199470 /nfs/dbraw/zinc/19/94/70/172199470.db2.gz RSLMKHGMCQIKHA-UHFFFAOYSA-N 1 0 275.381 2.308 10 0 CEAERO CCC[NH2+]Cc1c(-n2ccnc2)nc2ccccn21 ZINC000035449770 172204240 /nfs/dbraw/zinc/20/42/40/172204240.db2.gz CGUULXUNMYTWNK-UHFFFAOYSA-N 1 0 255.325 2.020 10 0 CEAERO C[NH2+][C@H](c1ccc(OC)c(OC)c1)[C@@H]1CCCO1 ZINC000035463407 172211872 /nfs/dbraw/zinc/21/18/72/172211872.db2.gz RRQREHSEYLBPRR-GXTWGEPZSA-N 1 0 251.326 2.143 10 0 CEAERO C[NH2+][C@H](CC(F)(F)F)c1ccc2c(c1)CC(=O)N2 ZINC000035495959 172228647 /nfs/dbraw/zinc/22/86/47/172228647.db2.gz YCDLBIMILPNXMW-SNVBAGLBSA-N 1 0 258.243 2.394 10 0 CEAERO C[NH2+][C@@H](c1cccs1)c1ccc2[nH]c(=O)oc2c1 ZINC000035500601 172235035 /nfs/dbraw/zinc/23/50/35/172235035.db2.gz RQVHADUNRPEMSV-GFCCVEGCSA-N 1 0 260.318 2.491 10 0 CEAERO CC[NH2+][C@@H](c1ccc2c(c1)OCCO2)[C@H]1CCCO1 ZINC000035545075 172252874 /nfs/dbraw/zinc/25/28/74/172252874.db2.gz UMLQAGABJNMJPQ-HIFRSBDPSA-N 1 0 263.337 2.287 10 0 CEAERO COc1ccccc1[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH3+] ZINC000035571727 172267645 /nfs/dbraw/zinc/26/76/45/172267645.db2.gz KBMATORPRKJBNN-CHWSQXEVSA-N 1 0 292.379 2.357 10 0 CEAERO C[NH+](C)CCOc1c(Cl)cc(Cl)cc1CO ZINC000035662580 172340659 /nfs/dbraw/zinc/34/06/59/172340659.db2.gz NFITUPNZCJXAEE-UHFFFAOYSA-N 1 0 264.152 2.426 10 0 CEAERO [NH3+][C@H]1CC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000035679607 172350296 /nfs/dbraw/zinc/35/02/96/172350296.db2.gz LREFEKIDGXPZSE-LURJTMIESA-N 1 0 278.661 2.423 10 0 CEAERO C[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)c1ccco1 ZINC000035738276 172392138 /nfs/dbraw/zinc/39/21/38/172392138.db2.gz WZXTYRHSENRSEH-CYDGBPFRSA-N 1 0 262.353 2.378 10 0 CEAERO CC(C)[NH2+][C@@H]1C[C@@H](C)S(=O)(=O)c2ccccc21 ZINC000035760625 172398785 /nfs/dbraw/zinc/39/87/85/172398785.db2.gz FBZLFVQKXUOOKK-ZYHUDNBSSA-N 1 0 253.367 2.292 10 0 CEAERO [NH3+][C@H](Cc1ccccc1)c1noc(C(F)(F)F)n1 ZINC000036764970 172683738 /nfs/dbraw/zinc/68/37/38/172683738.db2.gz NSTYNXLYNSYRBF-MRVPVSSYSA-N 1 0 257.215 2.331 10 0 CEAERO COCCSc1c(C(N)=[NH2+])cnc2ccccc21 ZINC000036914327 172800914 /nfs/dbraw/zinc/80/09/14/172800914.db2.gz IWUZAXAJFVAHAF-UHFFFAOYSA-N 1 0 261.350 2.257 10 0 CEAERO [NH3+][C@@H](C(=O)Nc1cccnc1Cl)c1ccccc1 ZINC000037019973 172882941 /nfs/dbraw/zinc/88/29/41/172882941.db2.gz JXSSXCGFZUOTFY-LLVKDONJSA-N 1 0 261.712 2.374 10 0 CEAERO CCC[NH+]1CCC(N[C@H](C(=O)OC)[C@H](C)CC)CC1 ZINC000037102674 172957066 /nfs/dbraw/zinc/95/70/66/172957066.db2.gz IQLMYGUJJLARLU-OCCSQVGLSA-N 1 0 270.417 2.038 10 0 CEAERO CN([C@@H](C[NH3+])c1cccc(F)c1)[C@@H]1CCSC1 ZINC000037174490 173009064 /nfs/dbraw/zinc/00/90/64/173009064.db2.gz GPVQNGNNGSLYJT-OLZOCXBDSA-N 1 0 254.374 2.263 10 0 CEAERO COc1ccc(C[N@H+](C)[C@@H]2CCSC2)cc1N ZINC000037174128 173009159 /nfs/dbraw/zinc/00/91/59/173009159.db2.gz WHOSHHWCLQASFK-LLVKDONJSA-N 1 0 252.383 2.215 10 0 CEAERO [NH3+]C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(F)(F)F ZINC000037178056 173011634 /nfs/dbraw/zinc/01/16/34/173011634.db2.gz XPIDLWRLAKUDRM-MRVPVSSYSA-N 1 0 292.330 2.472 10 0 CEAERO COc1ccc(CO[C@@H](CC[NH3+])C(F)(F)F)cc1 ZINC000037179401 173013126 /nfs/dbraw/zinc/01/31/26/173013126.db2.gz GCANANLIDHRZTM-NSHDSACASA-N 1 0 263.259 2.492 10 0 CEAERO CC(C)C[N@@H+]1CCO[C@H](CSc2ccc(N)nc2)C1 ZINC000037192338 173021455 /nfs/dbraw/zinc/02/14/55/173021455.db2.gz RFMMVNYLWQZMHE-LBPRGKRZSA-N 1 0 281.425 2.113 10 0 CEAERO CC(C)COc1ccc([C@@H](C)[NH2+]CC(=O)N(C)C)cc1 ZINC000037225304 173045853 /nfs/dbraw/zinc/04/58/53/173045853.db2.gz ZPGRAFCVQHTJPL-CYBMUJFWSA-N 1 0 278.396 2.460 10 0 CEAERO CCOc1ccc(OCC)c(N2CC[C@@H]([NH2+]C)C2)c1 ZINC000037240936 173057170 /nfs/dbraw/zinc/05/71/70/173057170.db2.gz JBMIYJOPDUXCLH-GFCCVEGCSA-N 1 0 264.369 2.282 10 0 CEAERO COC(=O)c1ccccc1C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000037242276 173058528 /nfs/dbraw/zinc/05/85/28/173058528.db2.gz COBIOCBWSZMLED-BXUZGUMPSA-N 1 0 263.337 2.130 10 0 CEAERO O=C(C[NH2+][C@H](c1ccc(F)cc1)C1CC1)NC1CC1 ZINC000037262976 173072861 /nfs/dbraw/zinc/07/28/61/173072861.db2.gz ABBISNMYGLITMG-HNNXBMFYSA-N 1 0 262.328 2.145 10 0 CEAERO CCC[NH2+]Cc1c(Cl)cccc1N(C)CC(=O)NC ZINC000037271337 173083375 /nfs/dbraw/zinc/08/33/75/173083375.db2.gz VULAAMJRRNJCPG-UHFFFAOYSA-N 1 0 283.803 2.022 10 0 CEAERO CC[C@H](C)C[N@H+](C)CC(=O)Nc1c(C)cccc1N ZINC000037273527 173085614 /nfs/dbraw/zinc/08/56/14/173085614.db2.gz BTTMEBKGSWXLHU-NSHDSACASA-N 1 0 263.385 2.494 10 0 CEAERO O=C1NCCCC[C@H]1[NH2+][C@H]1CSCc2ccccc21 ZINC000037282912 173089816 /nfs/dbraw/zinc/08/98/16/173089816.db2.gz UEJCMKDDOSCZHI-KGLIPLIRSA-N 1 0 276.405 2.233 10 0 CEAERO O[C@H](C[NH2+]C1CC1)COc1ccc2ccccc2c1 ZINC000037370702 173160285 /nfs/dbraw/zinc/16/02/85/173160285.db2.gz ZFBNETQMLOJQAM-OAHLLOKOSA-N 1 0 257.333 2.332 10 0 CEAERO COC(=O)CCC[NH2+]Cc1ccc(SC)cc1 ZINC000037395190 173175315 /nfs/dbraw/zinc/17/53/15/173175315.db2.gz SIEPYVHVRGDNCJ-UHFFFAOYSA-N 1 0 253.367 2.451 10 0 CEAERO COC(=O)CCC[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000037416040 173193536 /nfs/dbraw/zinc/19/35/36/173193536.db2.gz PXYQSYKTLGTEGG-UHFFFAOYSA-N 1 0 273.279 2.331 10 0 CEAERO [NH3+]CCCc1nc2cc(Br)ccc2[nH]1 ZINC000037441201 173211101 /nfs/dbraw/zinc/21/11/01/173211101.db2.gz RVVCKNCZTGLGQV-UHFFFAOYSA-N 1 0 254.131 2.217 10 0 CEAERO CC(C)n1c2cccc(F)c2nc1[C@@H]([NH3+])[C@@H](C)O ZINC000037442860 173211780 /nfs/dbraw/zinc/21/17/80/173211780.db2.gz OEECBZDARFRIMI-KCJUWKMLSA-N 1 0 251.305 2.137 10 0 CEAERO C[C@H](NC(=O)C[NH2+]C1CC1)c1ccc(Cl)s1 ZINC000037477043 173228142 /nfs/dbraw/zinc/22/81/42/173228142.db2.gz KRUOKNKMPOZSSP-ZETCQYMHSA-N 1 0 258.774 2.331 10 0 CEAERO COCCN(CCOC)[C@@H](C[NH3+])c1ccc(SC)cc1 ZINC000037489468 173231853 /nfs/dbraw/zinc/23/18/53/173231853.db2.gz VUQHPERPIZQAMO-HNNXBMFYSA-N 1 0 298.452 2.003 10 0 CEAERO CSc1ccc(CN(C)C(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000037497851 173236564 /nfs/dbraw/zinc/23/65/64/173236564.db2.gz NGEZGJVOUBTSCS-CYBMUJFWSA-N 1 0 264.394 2.119 10 0 CEAERO CC(C)C(=O)Nc1cccc(NC2CC[NH2+]CC2)c1 ZINC000038041226 174041875 /nfs/dbraw/zinc/04/18/75/174041875.db2.gz LYOYYPWJRDKRPE-UHFFFAOYSA-N 1 0 261.369 2.445 10 0 CEAERO C[C@@H](OC[C@H](O)C[NH2+]C[C@@H]1CCCOC1)c1ccccc1 ZINC000038045457 174054092 /nfs/dbraw/zinc/05/40/92/174054092.db2.gz PZOUQPBZDPEKPV-HLLBOEOZSA-N 1 0 293.407 2.141 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)cc1O ZINC000038049190 174060049 /nfs/dbraw/zinc/06/00/49/174060049.db2.gz RDUBPSXUARIZTG-GHMZBOCLSA-N 1 0 268.744 2.045 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1cccc(Cl)c1 ZINC000038048827 174060059 /nfs/dbraw/zinc/06/00/59/174060059.db2.gz DQHQLPHMFFJOKX-NEPJUHHUSA-N 1 0 252.745 2.340 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)CCc1c[nH]c2ccccc12 ZINC000038049139 174060097 /nfs/dbraw/zinc/06/00/97/174060097.db2.gz MPSDANAJYRLGGC-ZBFHGGJFSA-N 1 0 285.391 2.487 10 0 CEAERO Cc1cccc(OCCC(=O)N[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000038049555 174060702 /nfs/dbraw/zinc/06/07/02/174060702.db2.gz RBOJREFTVLRSCL-GJZGRUSLSA-N 1 0 276.380 2.150 10 0 CEAERO CC[NH2+][C@@H](CCCS(C)(=O)=O)c1ccccc1 ZINC000038085303 174096326 /nfs/dbraw/zinc/09/63/26/174096326.db2.gz HXJNFPUZCXJITC-ZDUSSCGKSA-N 1 0 255.383 2.162 10 0 CEAERO COc1ncnc(OC)c1C[NH2+]CCCC(C)C ZINC000038093602 174107711 /nfs/dbraw/zinc/10/77/11/174107711.db2.gz VSJWJMDZIHYJJO-UHFFFAOYSA-N 1 0 253.346 2.020 10 0 CEAERO Cc1nc(C)c([C@@H](C)[NH2+]CCCC(C)C)c(=O)[nH]1 ZINC000038093739 174107727 /nfs/dbraw/zinc/10/77/27/174107727.db2.gz HTRYWZUCSNVSJH-SNVBAGLBSA-N 1 0 251.374 2.474 10 0 CEAERO Cc1nc2sccn2c1C[NH2+]CC[C@H]1CCCO1 ZINC000038096216 174110118 /nfs/dbraw/zinc/11/01/18/174110118.db2.gz WBZBIDVIKXFRSD-LLVKDONJSA-N 1 0 265.382 2.363 10 0 CEAERO Clc1ccc2ncn(CCC[NH+]3CCOCC3)c2c1 ZINC000040405959 174254008 /nfs/dbraw/zinc/25/40/08/174254008.db2.gz YZLBRJCLPVOKQX-UHFFFAOYSA-N 1 0 279.771 2.412 10 0 CEAERO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](C)c1ccccc1F ZINC000040464178 174273339 /nfs/dbraw/zinc/27/33/39/174273339.db2.gz IWXAHJQIUDEGFK-CWSCBRNRSA-N 1 0 252.333 2.376 10 0 CEAERO CSCC[C@H]([NH3+])C(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000040467335 174275688 /nfs/dbraw/zinc/27/56/88/174275688.db2.gz YRQXMLNHKATVIY-SDDRHHMPSA-N 1 0 258.431 2.104 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)N[C@H](C)c1ccc(OC)c(OC)c1 ZINC000040491294 174292342 /nfs/dbraw/zinc/29/23/42/174292342.db2.gz PNUACVAQDNITJB-NWDGAFQWSA-N 1 0 294.395 2.269 10 0 CEAERO COC(=O)C[C@@H](C)[NH2+][C@H](C)COc1ccc(C)cc1 ZINC000040499738 174296643 /nfs/dbraw/zinc/29/66/43/174296643.db2.gz XGKHRIXCUMBWAQ-CHWSQXEVSA-N 1 0 265.353 2.304 10 0 CEAERO CCN1CCC[C@@H]([NH2+]Cc2ccc(-n3ccnc3)cc2)C1 ZINC000040502830 174299120 /nfs/dbraw/zinc/29/91/20/174299120.db2.gz DXOVPGFONMYUFT-MRXNPFEDSA-N 1 0 284.407 2.446 10 0 CEAERO CCN1CCC[C@@H]([NH2+]Cc2ccc(-n3cccn3)cc2)C1 ZINC000040502932 174299360 /nfs/dbraw/zinc/29/93/60/174299360.db2.gz YFQVDRBVKHZOKX-MRXNPFEDSA-N 1 0 284.407 2.446 10 0 CEAERO CCCCOCC[NH2+]C[C@H](O)CO[C@H](C)CC(C)C ZINC000040507173 174302787 /nfs/dbraw/zinc/30/27/87/174302787.db2.gz FLHIGXFEWXZXNW-CABCVRRESA-N 1 0 275.433 2.205 10 0 CEAERO Cc1cc(C)c(C[NH3+])c(OC[C@@H]2CCCCO2)n1 ZINC000040509651 174303922 /nfs/dbraw/zinc/30/39/22/174303922.db2.gz UZHMYOZNKHJYEF-LBPRGKRZSA-N 1 0 250.342 2.105 10 0 CEAERO Cc1cc(C)c(C(N)=S)c(OCC[C@@H]2CCC[N@H+]2C)n1 ZINC000040515030 174306459 /nfs/dbraw/zinc/30/64/59/174306459.db2.gz ZNHYPJJSBYDRRT-LBPRGKRZSA-N 1 0 293.436 2.196 10 0 CEAERO CCCNC(=O)[C@H](C)[NH2+][C@H](C)c1sc(C)nc1C ZINC000040518725 174308120 /nfs/dbraw/zinc/30/81/20/174308120.db2.gz RLTTVEIPSIRUJC-SCZZXKLOSA-N 1 0 269.414 2.325 10 0 CEAERO CCC[C@](C)([NH3+])C(=O)N[C@H](C)c1sc(C)nc1C ZINC000040519136 174308773 /nfs/dbraw/zinc/30/87/73/174308773.db2.gz CSCQPQMETBGJGJ-RNCFNFMXSA-N 1 0 269.414 2.455 10 0 CEAERO C[NH2+]C[C@H]1CCCN(Cc2ccc(Br)o2)C1 ZINC000040592006 174347527 /nfs/dbraw/zinc/34/75/27/174347527.db2.gz SEXXFQPKZZUAOL-SNVBAGLBSA-N 1 0 287.201 2.474 10 0 CEAERO C[NH2+]C[C@H]1CCCN(Cc2nnc(-c3ccccc3)o2)C1 ZINC000040600030 174350238 /nfs/dbraw/zinc/35/02/38/174350238.db2.gz XCWGPQNSFBOTAU-CYBMUJFWSA-N 1 0 286.379 2.168 10 0 CEAERO CC(C)n1cc(N)cc1C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000040620504 174354933 /nfs/dbraw/zinc/35/49/33/174354933.db2.gz VLGXIVGWWMBRJE-CYBMUJFWSA-N 1 0 292.427 2.111 10 0 CEAERO COC(=O)CCC[NH2+]Cc1cc2c(s1)CCC2 ZINC000040627011 174356977 /nfs/dbraw/zinc/35/69/77/174356977.db2.gz YVCWTHSASPAELD-UHFFFAOYSA-N 1 0 253.367 2.280 10 0 CEAERO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000040629685 174357853 /nfs/dbraw/zinc/35/78/53/174357853.db2.gz YUBZJBFXUONOPF-GZMMTYOYSA-N 1 0 289.162 2.309 10 0 CEAERO COc1ccccc1-c1c[nH]c([C@@H]2C[C@@H](OC)C[NH2+]2)n1 ZINC000040637917 174362251 /nfs/dbraw/zinc/36/22/51/174362251.db2.gz RXDTYRTXYBFVET-PWSUYJOCSA-N 1 0 273.336 2.135 10 0 CEAERO c1n[nH]cc1N[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000040671416 174369300 /nfs/dbraw/zinc/36/93/00/174369300.db2.gz PISKSRUHCWGUOX-AWEZNQCLSA-N 1 0 256.353 2.139 10 0 CEAERO CCOC1CCN([C@H](C[NH3+])c2ccc(F)cc2F)CC1 ZINC000040678673 174374628 /nfs/dbraw/zinc/37/46/28/174374628.db2.gz LVRPCRKICJHZGO-OAHLLOKOSA-N 1 0 284.350 2.466 10 0 CEAERO CCOC1CCN([C@H]2Cc3ccccc3[C@@H]2[NH3+])CC1 ZINC000040689277 174376675 /nfs/dbraw/zinc/37/66/75/174376675.db2.gz HUMCFBGDXIWVCR-HOTGVXAUSA-N 1 0 260.381 2.112 10 0 CEAERO CCOC1CCN(C[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000040690149 174377027 /nfs/dbraw/zinc/37/70/27/174377027.db2.gz CQJHTXSRZOMUHU-INIZCTEOSA-N 1 0 274.408 2.202 10 0 CEAERO [NH3+]Cc1c(Oc2ccc(CO)cc2)nc2sccn21 ZINC000040711268 174381287 /nfs/dbraw/zinc/38/12/87/174381287.db2.gz UPJBFQBPOLNWNJ-UHFFFAOYSA-N 1 0 275.333 2.139 10 0 CEAERO COc1ccc(N)cc1NC(=O)CCC[N@@H+]1CC[C@H](C)C1 ZINC000040716831 174384384 /nfs/dbraw/zinc/38/43/84/174384384.db2.gz NDWHQAOUXSHMLW-LBPRGKRZSA-N 1 0 291.395 2.338 10 0 CEAERO C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c(N)c2)C1 ZINC000040716794 174384629 /nfs/dbraw/zinc/38/46/29/174384629.db2.gz CZABHMSNTHOEMO-SECBINFHSA-N 1 0 267.760 2.203 10 0 CEAERO Cc1cc(C)c([C@@H]([NH3+])Cn2cnc(C)cc2=O)c(C)c1 ZINC000040728190 174387841 /nfs/dbraw/zinc/38/78/41/174387841.db2.gz FKVVMPYTTPOJHE-AWEZNQCLSA-N 1 0 271.364 2.177 10 0 CEAERO CC(C)Cc1ccc([C@H]([NH3+])CN2C(=O)C[C@@H](C)C2=O)cc1 ZINC000040739867 174390442 /nfs/dbraw/zinc/39/04/42/174390442.db2.gz LZEJLXFDQMUYSV-IUODEOHRSA-N 1 0 288.391 2.280 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(Cl)c1 ZINC000040749540 174394398 /nfs/dbraw/zinc/39/43/98/174394398.db2.gz PPUCBIIGVRWAMJ-YHWZYXNKSA-N 1 0 264.756 2.434 10 0 CEAERO COc1ccc(NC(=O)N2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040749793 174394615 /nfs/dbraw/zinc/39/46/15/174394615.db2.gz ISALASMUSQKKJF-VGPLMAKISA-N 1 0 275.352 2.181 10 0 CEAERO CCOC(=O)c1ccsc1NC(=O)CC1CC[NH2+]CC1 ZINC000040851904 174421055 /nfs/dbraw/zinc/42/10/55/174421055.db2.gz KCXXCHGQTJRQQN-UHFFFAOYSA-N 1 0 296.392 2.253 10 0 CEAERO Cc1cc(C)cc(OCC[N@@H+]2C[C@@H](C)C[C@H](O)C2)c1 ZINC000401698497 414754307 /nfs/dbraw/zinc/75/43/07/414754307.db2.gz LTKPSBPIDFTKAG-GJZGRUSLSA-N 1 0 263.381 2.385 10 0 CEAERO Cc1cc(C(F)(F)F)nc(NCC2CC[NH2+]CC2)n1 ZINC000062202125 414760718 /nfs/dbraw/zinc/76/07/18/414760718.db2.gz GLJZVDFUYPWICD-UHFFFAOYSA-N 1 0 274.290 2.215 10 0 CEAERO CN(C(=O)Cc1ccccc1Cl)[C@@H](C[NH3+])C(F)(F)F ZINC000662975052 414814851 /nfs/dbraw/zinc/81/48/51/414814851.db2.gz DSMYCIHLCWWZPM-JTQLQIEISA-N 1 0 294.704 2.231 10 0 CEAERO CN(C(=O)CCCc1ccccc1)[C@H](C[NH3+])C(F)(F)F ZINC000662977523 414816938 /nfs/dbraw/zinc/81/69/38/414816938.db2.gz LAHJJRUOELUMHW-GFCCVEGCSA-N 1 0 288.313 2.357 10 0 CEAERO CCCC[C@H](C)C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662985004 414818562 /nfs/dbraw/zinc/81/85/62/414818562.db2.gz QCIUMRLMDUHTTN-IUCAKERBSA-N 1 0 254.296 2.161 10 0 CEAERO CN(C(=O)C1CCC2(CC2)CC1)[C@@H](C[NH3+])C(F)(F)F ZINC000662986502 414819099 /nfs/dbraw/zinc/81/90/99/414819099.db2.gz GMUXDPSGPCPMPO-JTQLQIEISA-N 1 0 278.318 2.305 10 0 CEAERO CN(C(=O)c1sccc1Cl)[C@@H](C[NH3+])C(F)(F)F ZINC000662983455 414819545 /nfs/dbraw/zinc/81/95/45/414819545.db2.gz CJDAPLVBVIGZTD-LURJTMIESA-N 1 0 286.706 2.363 10 0 CEAERO O=S1(=O)CC[C@H](CC[NH2+]C2(C3CCC3)CCC2)C1 ZINC000657263852 414822846 /nfs/dbraw/zinc/82/28/46/414822846.db2.gz JYUHBEVXVNNYIA-LBPRGKRZSA-N 1 0 271.426 2.124 10 0 CEAERO COc1cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)on1 ZINC000660463664 414836126 /nfs/dbraw/zinc/83/61/26/414836126.db2.gz DUVJKRRTCGSPPV-MCIONIFRSA-N 1 0 280.368 2.199 10 0 CEAERO CSc1cccc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)c1 ZINC000660480382 414843140 /nfs/dbraw/zinc/84/31/40/414843140.db2.gz UCQZANDADWTRTM-ZWNOBZJWSA-N 1 0 264.394 2.165 10 0 CEAERO COC(=O)[C@@H](NC(=O)Nc1cccc([C@H](C)[NH3+])c1)C(C)C ZINC000041714692 174614372 /nfs/dbraw/zinc/61/43/72/174614372.db2.gz LRNKMDGMDMMGRH-GWCFXTLKSA-N 1 0 293.367 2.025 10 0 CEAERO COC1CCN(C(=O)Nc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000041714595 174614416 /nfs/dbraw/zinc/61/44/16/174614416.db2.gz GOJVIMUZHVDEBL-NSHDSACASA-N 1 0 277.368 2.349 10 0 CEAERO CC[C@@H]1CN(C(=O)Nc2cccc([C@@H](C)[NH3+])c2)CCO1 ZINC000041716017 174615341 /nfs/dbraw/zinc/61/53/41/174615341.db2.gz WTLDPJGQVOKYEG-BXUZGUMPSA-N 1 0 277.368 2.349 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC1(COC)CCC1 ZINC000311751953 414860167 /nfs/dbraw/zinc/86/01/67/414860167.db2.gz CSYFMRLPCWMBAD-LSDHHAIUSA-N 1 0 266.429 2.362 10 0 CEAERO COCC1(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)CCC1 ZINC000311708868 414860558 /nfs/dbraw/zinc/86/05/58/414860558.db2.gz VQGILAGFFZNWBN-GOEBONIOSA-N 1 0 267.413 2.430 10 0 CEAERO C[C@H](NC(=O)C[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000042171231 174650977 /nfs/dbraw/zinc/65/09/77/174650977.db2.gz RRUZPBRVJBNAEU-GXFFZTMASA-N 1 0 250.317 2.145 10 0 CEAERO C(CSc1nnc(C2CC2)n1C1CC1)[NH2+]C1CC1 ZINC000042408090 174713388 /nfs/dbraw/zinc/71/33/88/174713388.db2.gz UJSZQSVPLJOEHN-UHFFFAOYSA-N 1 0 264.398 2.335 10 0 CEAERO CC(C)[C@H]([NH3+])CCNc1ccncc1Br ZINC000663275411 414901176 /nfs/dbraw/zinc/90/11/76/414901176.db2.gz IAPWSGNVXBPNFY-SNVBAGLBSA-N 1 0 272.190 2.051 10 0 CEAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C[C@@H](c2ccccc2)C1 ZINC000657521582 414985829 /nfs/dbraw/zinc/98/58/29/414985829.db2.gz AQIRJGYYZCNEPI-QCEMKRCNSA-N 1 0 272.392 2.437 10 0 CEAERO C[C@@H](CN(C)c1ncccc1C(F)(F)F)C(N)=[NH2+] ZINC000042459987 174750602 /nfs/dbraw/zinc/75/06/02/174750602.db2.gz AXOSGKLRHQNNKT-ZETCQYMHSA-N 1 0 260.263 2.109 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(NC(=O)N(CCO)C(C)C)cc1 ZINC000042482295 174758999 /nfs/dbraw/zinc/75/89/99/174758999.db2.gz ISYMUWBHPCVEMT-LBPRGKRZSA-N 1 0 279.384 2.202 10 0 CEAERO NC(=[NH2+])CCN(c1ccc(C(F)(F)F)cn1)C1CC1 ZINC000042548359 174788682 /nfs/dbraw/zinc/78/86/82/174788682.db2.gz BARMBXVEAXIWBB-UHFFFAOYSA-N 1 0 272.274 2.395 10 0 CEAERO CC[C@@H](C)N(CCOC)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000042591150 174812083 /nfs/dbraw/zinc/81/20/83/174812083.db2.gz UHACCEMUKGSSNO-QPSCCSFWSA-N 1 0 282.428 2.181 10 0 CEAERO CN1C[C@H](C[NH2+]Cc2cccc3ccccc32)CC1=O ZINC000657693949 415049528 /nfs/dbraw/zinc/04/95/28/415049528.db2.gz HHDKQALCLUFOMI-ZDUSSCGKSA-N 1 0 268.360 2.408 10 0 CEAERO CN1C[C@@H](C[NH2+]Cc2ccc(F)cc2Cl)CC1=O ZINC000657695730 415051389 /nfs/dbraw/zinc/05/13/89/415051389.db2.gz CSAOAEIAVOMZMT-SECBINFHSA-N 1 0 270.735 2.047 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1ccc(F)cc1)N1CCOC(C)(C)C1 ZINC000042914617 174913924 /nfs/dbraw/zinc/91/39/24/174913924.db2.gz HNSPUQINVLWNPV-RISCZKNCSA-N 1 0 266.360 2.325 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)N1CCOCC1 ZINC000042951735 174924298 /nfs/dbraw/zinc/92/42/98/174924298.db2.gz GFBXAEMNWITMIT-GWCFXTLKSA-N 1 0 299.212 2.170 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1cccc(Cl)c1)N(C)CC(=O)N(C)C ZINC000043014125 174941531 /nfs/dbraw/zinc/94/15/31/174941531.db2.gz WSJHMDMXORFCBA-DZGCQCFKSA-N 1 0 297.830 2.138 10 0 CEAERO COCCCO[C@H](c1cccc(OC)c1)[C@@H](C)[NH3+] ZINC000043031227 174948657 /nfs/dbraw/zinc/94/86/57/174948657.db2.gz KNZWGXPDQJLORK-RISCZKNCSA-N 1 0 253.342 2.137 10 0 CEAERO CCOC1CCC([NH2+]C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000657885350 415115147 /nfs/dbraw/zinc/11/51/47/415115147.db2.gz FGWNRHSMJMIQQK-PPWQZUPISA-N 1 0 255.402 2.475 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccccc1Cl)N(C)CCO ZINC000043051734 174959526 /nfs/dbraw/zinc/95/95/26/174959526.db2.gz PPOPYDKKIVFUSO-QWHCGFSZSA-N 1 0 256.777 2.043 10 0 CEAERO CCOC1CCC([NH2+][C@@H]2CCCC[C@@H]2CO)CC1 ZINC000657890497 415116451 /nfs/dbraw/zinc/11/64/51/415116451.db2.gz SFVDTQWUNGEROS-XSCHDIRWSA-N 1 0 255.402 2.475 10 0 CEAERO COc1ccccc1[C@@H](C[NH3+])N(C)Cc1cc(C)on1 ZINC000043097632 174965947 /nfs/dbraw/zinc/96/59/47/174965947.db2.gz BDNMZTCFQJLYJM-CQSZACIVSA-N 1 0 275.352 2.123 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cnn(C)c1)N(C)Cc1ccccc1F ZINC000043127455 174978387 /nfs/dbraw/zinc/97/83/87/174978387.db2.gz AYYLAMQOMAQKIL-CVEARBPZSA-N 1 0 290.386 2.470 10 0 CEAERO CC[C@H]([NH3+])[C@@H](OCc1ccc(OC)cc1)c1cnn(C)c1 ZINC000043235380 174987195 /nfs/dbraw/zinc/98/71/95/174987195.db2.gz RANCTJBQSKVYJJ-HOTGVXAUSA-N 1 0 289.379 2.424 10 0 CEAERO [NH3+][C@@H](c1cccc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000043299789 175000563 /nfs/dbraw/zinc/00/05/63/175000563.db2.gz CHNRLMZKUMUGBL-IUODEOHRSA-N 1 0 275.373 2.274 10 0 CEAERO CC(C)c1ccc([C@H]([NH3+])[C@H]2CCS(=O)(=O)C2)cc1 ZINC000043299987 175001061 /nfs/dbraw/zinc/00/10/61/175001061.db2.gz GJRJCSBBFCJVKF-KBPBESRZSA-N 1 0 267.394 2.245 10 0 CEAERO Cc1cccc([C@@H](C[NH3+])N2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000043314402 175004041 /nfs/dbraw/zinc/00/40/41/175004041.db2.gz XDMUZBFGNVINLC-DVOMOZLQSA-N 1 0 262.397 2.412 10 0 CEAERO CCOC(=O)[C@@H](NCC[NH+](C)C)c1cccc(C)c1C ZINC000043315738 175004408 /nfs/dbraw/zinc/00/44/08/175004408.db2.gz OSFBOGFPQPKKJH-HNNXBMFYSA-N 1 0 278.396 2.059 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccco1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000043334342 175010839 /nfs/dbraw/zinc/01/08/39/175010839.db2.gz CMHYSWVWWGVJJD-OPDFLTKYSA-N 1 0 252.358 2.167 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccco1)N(C)Cc1cc(C)on1 ZINC000043335284 175011469 /nfs/dbraw/zinc/01/14/69/175011469.db2.gz JRZVRSGBBJKGCB-OCCSQVGLSA-N 1 0 263.341 2.486 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccco1)N(C)Cc1cscn1 ZINC000043336328 175012819 /nfs/dbraw/zinc/01/28/19/175012819.db2.gz DMJRLPVFSJACRK-BXKDBHETSA-N 1 0 251.355 2.256 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1nccc(=O)[nH]1)c1ccco1 ZINC000043338397 175013079 /nfs/dbraw/zinc/01/30/79/175013079.db2.gz KRQAXQGKVSOLPI-GZMMTYOYSA-N 1 0 265.338 2.346 10 0 CEAERO [NH3+]C[C@H](c1ccccn1)N1CCC[C@@H]1c1ccncc1 ZINC000043339395 175013598 /nfs/dbraw/zinc/01/35/98/175013598.db2.gz ZJBGGPYMAMOANP-HZPDHXFCSA-N 1 0 268.364 2.314 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1ccccn1)N(C)Cc1cscn1 ZINC000043341214 175015105 /nfs/dbraw/zinc/01/51/05/175015105.db2.gz BZCCYLGTQDOLAA-MFKMUULPSA-N 1 0 262.382 2.058 10 0 CEAERO Cc1nnc(S[C@@H](c2ccccn2)[C@@H](C)[NH3+])s1 ZINC000043345126 175016604 /nfs/dbraw/zinc/01/66/04/175016604.db2.gz LTUBUAAXVSJBGM-GMSGAONNSA-N 1 0 266.395 2.422 10 0 CEAERO CC[C@H]([NH3+])[C@@H](OC[C@@H]1CCCO1)c1cccnc1 ZINC000043350151 175019249 /nfs/dbraw/zinc/01/92/49/175019249.db2.gz YLHXWDWPZLBWBU-IHRRRGAJSA-N 1 0 250.342 2.056 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccncc1)N1CCCSCC1 ZINC000043354053 175021741 /nfs/dbraw/zinc/02/17/41/175021741.db2.gz LZKZKXZPHOYILT-KBPBESRZSA-N 1 0 265.426 2.299 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)N1CCO[C@@H](CC)C1 ZINC000043364191 175024815 /nfs/dbraw/zinc/02/48/15/175024815.db2.gz HJYNOXQQIRZFOT-GZBFAFLISA-N 1 0 266.385 2.477 10 0 CEAERO Cc1ccc([C@H](Sc2nccc(=O)[nH]2)[C@H](C)[NH3+])o1 ZINC000043367481 175027503 /nfs/dbraw/zinc/02/75/03/175027503.db2.gz QXHVBYRIUMMTKN-GZMMTYOYSA-N 1 0 265.338 2.264 10 0 CEAERO C[C@@H]([NH3+])[C@@H](N1CCc2ccccc2C1)C(F)(F)F ZINC000043376539 175030097 /nfs/dbraw/zinc/03/00/97/175030097.db2.gz DCOBVHRPJKEZIS-BXKDBHETSA-N 1 0 258.287 2.323 10 0 CEAERO CC[C@@H]([NH3+])[C@H](N(C)C[C@@H]1CCCCO1)C(F)(F)F ZINC000043378352 175030639 /nfs/dbraw/zinc/03/06/39/175030639.db2.gz UQTLLOSNVRAMQB-AXFHLTTASA-N 1 0 268.323 2.156 10 0 CEAERO COCCN([C@@H](C)C1CC1)[C@@H]([C@@H](C)[NH3+])C(F)(F)F ZINC000043379138 175030796 /nfs/dbraw/zinc/03/07/96/175030796.db2.gz IZVSGFYDKZFAPP-YWVKMMECSA-N 1 0 268.323 2.011 10 0 CEAERO CC[C@@H](C)N(CCOC)[C@@H]([C@@H](C)[NH3+])C(F)(F)F ZINC000043379060 175030887 /nfs/dbraw/zinc/03/08/87/175030887.db2.gz SCZWVEISFBCPGG-BBBLOLIVSA-N 1 0 256.312 2.011 10 0 CEAERO CCCCOCCO[C@@H]([C@H]([NH3+])CC)C(F)(F)F ZINC000043384722 175031674 /nfs/dbraw/zinc/03/16/74/175031674.db2.gz VFRQIHHLPSZPMQ-ZJUUUORDSA-N 1 0 257.296 2.488 10 0 CEAERO COc1ccc(CO[C@H]([C@@H](C)[NH3+])C(F)(F)F)cc1 ZINC000043384563 175031684 /nfs/dbraw/zinc/03/16/84/175031684.db2.gz LFPQGWIIYQSPQD-LDYMZIIASA-N 1 0 263.259 2.490 10 0 CEAERO C[C@H]([NH3+])[C@@H](OCc1ccc2c(c1)OCO2)C(F)(F)F ZINC000043384277 175031749 /nfs/dbraw/zinc/03/17/49/175031749.db2.gz WQFBFLZTGYXVOM-WRWORJQWSA-N 1 0 277.242 2.210 10 0 CEAERO CC[C@H]1CN([C@@H](C[NH3+])c2cc(C)cc(C)c2)CCO1 ZINC000043394117 175034695 /nfs/dbraw/zinc/03/46/95/175034695.db2.gz BNMFNVZUUILHPZ-HOTGVXAUSA-N 1 0 262.397 2.414 10 0 CEAERO COCCN([C@@H](C[NH3+])c1cc(C)cc(C)c1)[C@@H](C)COC ZINC000043394496 175035265 /nfs/dbraw/zinc/03/52/65/175035265.db2.gz OHNOMHKAGWCLSX-RDJZCZTQSA-N 1 0 294.439 2.287 10 0 CEAERO CCOC(=O)[C@H](NCC[NH+](C)C)c1cc(C)cc(C)c1 ZINC000043394934 175035422 /nfs/dbraw/zinc/03/54/22/175035422.db2.gz BSULRTVRYGDXCA-OAHLLOKOSA-N 1 0 278.396 2.059 10 0 CEAERO CCCCOCCOc1nc2c(cc1C(N)=[NH2+])CCC2 ZINC000043407047 175037300 /nfs/dbraw/zinc/03/73/00/175037300.db2.gz SSFPEZDCFWKRJW-UHFFFAOYSA-N 1 0 277.368 2.050 10 0 CEAERO CC(C)OCCOC(=O)CC1(C[NH3+])CCCCC1 ZINC000043414020 175037830 /nfs/dbraw/zinc/03/78/30/175037830.db2.gz DJLARMKCSZCXGF-UHFFFAOYSA-N 1 0 257.374 2.254 10 0 CEAERO COC(=O)CC[NH2+]Cc1sccc1Br ZINC000043675072 175088348 /nfs/dbraw/zinc/08/83/48/175088348.db2.gz NAOGLSPODWVOMQ-UHFFFAOYSA-N 1 0 278.171 2.163 10 0 CEAERO CCOc1ccccc1[C@H](CN1C[C@@H](C)O[C@@H](C)C1)[NH2+]C ZINC000043811392 175110151 /nfs/dbraw/zinc/11/01/51/175110151.db2.gz XBFPYYVSQORROO-LZWOXQAQSA-N 1 0 292.423 2.455 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2C[C@H]1N1C[C@@H](C)O[C@@H](C)C1 ZINC000043811515 175110970 /nfs/dbraw/zinc/11/09/70/175110970.db2.gz AGKBVTDEVBSCJZ-DLTLXFJOSA-N 1 0 274.408 2.371 10 0 CEAERO CCN(C[C@H]([NH2+]C)c1ccc2c(c1)OCCO2)C(C)C ZINC000043824104 175114638 /nfs/dbraw/zinc/11/46/38/175114638.db2.gz NFKBHMCANVIQIS-AWEZNQCLSA-N 1 0 278.396 2.449 10 0 CEAERO CC[NH2+][C@H]1CCC2(C[C@H]1N(C)C[C@@H](C)CC)OCCO2 ZINC000043889722 175117368 /nfs/dbraw/zinc/11/73/68/175117368.db2.gz IUCBVVOUXGMGMB-SOUVJXGZSA-N 1 0 284.444 2.238 10 0 CEAERO C[NH2+][C@H](c1ccc(OC)cc1)[C@@H](C)N1CCC(OC)CC1 ZINC000043890017 175117658 /nfs/dbraw/zinc/11/76/58/175117658.db2.gz YMBLVEMUAXRFBR-DYVFJYSZSA-N 1 0 292.423 2.455 10 0 CEAERO C[NH2+][C@@H](CN1CCC(OC)CC1)c1ccccc1C ZINC000043889993 175117730 /nfs/dbraw/zinc/11/77/30/175117730.db2.gz FRDHZRDFAHFNRS-INIZCTEOSA-N 1 0 262.397 2.366 10 0 CEAERO C[NH2+][C@H](C)c1ccc(OC)c(CN2CCOC[C@@H]2C)c1 ZINC000043891288 175118069 /nfs/dbraw/zinc/11/80/69/175118069.db2.gz ZOHQOPKVMLZBDD-QWHCGFSZSA-N 1 0 278.396 2.196 10 0 CEAERO CC[NH2+][C@H](CN1CCOC[C@@H]1C)c1ccc(OCC)cc1 ZINC000043891496 175118138 /nfs/dbraw/zinc/11/81/38/175118138.db2.gz LDXCVYQRGUAPFV-WMLDXEAASA-N 1 0 292.423 2.457 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2OC[C@@H]1N(C)Cc1cccnc1 ZINC000043893525 175118499 /nfs/dbraw/zinc/11/84/99/175118499.db2.gz YEOWMLDCEASUKL-DOTOQJQBSA-N 1 0 283.375 2.235 10 0 CEAERO CC[NH2+][C@H]1CCCCC[C@H]1N1CCOC(C)(C)C1 ZINC000043897820 175120541 /nfs/dbraw/zinc/12/05/41/175120541.db2.gz XMYCCVFHEJTVOC-UONOGXRCSA-N 1 0 254.418 2.408 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2C[C@H]1N1CCOC(C)(C)C1 ZINC000043897873 175120731 /nfs/dbraw/zinc/12/07/31/175120731.db2.gz NNNQKKVMSZKVAP-CVEARBPZSA-N 1 0 274.408 2.373 10 0 CEAERO C[NH2+][C@@H]1CCC2(C[C@H]1N(CC(C)C)CC(C)C)OCCO2 ZINC000043909589 175123272 /nfs/dbraw/zinc/12/32/72/175123272.db2.gz PZZFYMURBOBVBG-HZPDHXFCSA-N 1 0 298.471 2.484 10 0 CEAERO CC[NH2+][C@H](CN1CCOCC1(C)C)c1ccc(OC)cc1 ZINC000043917035 175125531 /nfs/dbraw/zinc/12/55/31/175125531.db2.gz QZCGGHACPXCYHZ-MRXNPFEDSA-N 1 0 292.423 2.457 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2OC[C@H]1N1CCOCC1(C)C ZINC000043917135 175125785 /nfs/dbraw/zinc/12/57/85/175125785.db2.gz KMDQYBRSZZLHDL-GDBMZVCRSA-N 1 0 290.407 2.209 10 0 CEAERO C[NH2+][C@@H](CN(C)Cc1cnn(C)c1)c1ccccc1C ZINC000043967170 175128624 /nfs/dbraw/zinc/12/86/24/175128624.db2.gz XBXLEFLQCVBLBU-INIZCTEOSA-N 1 0 272.396 2.121 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2OC[C@@H]1N(CC)CCOC ZINC000043968701 175129472 /nfs/dbraw/zinc/12/94/72/175129472.db2.gz LZOIUMZTSKXZFN-GOEBONIOSA-N 1 0 278.396 2.067 10 0 CEAERO CC[C@@H]1CC[C@H]([NH2+]C)[C@H](N(CCOC)C2CC2)C1 ZINC000043969657 175130409 /nfs/dbraw/zinc/13/04/09/175130409.db2.gz NODBVMLBYZXDED-VHDGCEQUSA-N 1 0 254.418 2.264 10 0 CEAERO C[NH2+][C@H]1c2ccccc2CC[C@@H]1N(CCOC)C1CC1 ZINC000043969814 175131111 /nfs/dbraw/zinc/13/11/11/175131111.db2.gz UPYJAAYHJPVEHG-IRXDYDNUSA-N 1 0 274.408 2.373 10 0 CEAERO CC[NH2+][C@H]1CCCCC[C@H]1N(CCOC)C1CC1 ZINC000043969898 175131527 /nfs/dbraw/zinc/13/15/27/175131527.db2.gz AZZRDQSOUYUTTF-LSDHHAIUSA-N 1 0 254.418 2.408 10 0 CEAERO COC(=O)[C@H](CC(C)C)n1c(N)[nH+]c2ccccc21 ZINC000044421212 175173660 /nfs/dbraw/zinc/17/36/60/175173660.db2.gz FLCUMESZVSMBSJ-LBPRGKRZSA-N 1 0 261.325 2.379 10 0 CEAERO COC(=O)CCCOc1ccc2c(c1)CCC[C@H]2[NH3+] ZINC000044732494 175241281 /nfs/dbraw/zinc/24/12/81/175241281.db2.gz SUYRGYCRUNAYGH-CQSZACIVSA-N 1 0 263.337 2.355 10 0 CEAERO CC(C)NC(=O)[C@@H](C)Oc1ccc2c(c1)CCC[C@@H]2[NH3+] ZINC000044744919 175241692 /nfs/dbraw/zinc/24/16/92/175241692.db2.gz COYYORKKGONDQG-ABAIWWIYSA-N 1 0 276.380 2.315 10 0 CEAERO C[C@@H]1Cc2ccccc2N1C(=O)C1(C[NH3+])CCCC1 ZINC000044761773 175245943 /nfs/dbraw/zinc/24/59/43/175245943.db2.gz JRSJIHDRAAJROU-GFCCVEGCSA-N 1 0 258.365 2.483 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)C2(C[NH3+])CCCC2)o1 ZINC000044763679 175247612 /nfs/dbraw/zinc/24/76/12/175247612.db2.gz KSDLUKQPZMCMOK-LLVKDONJSA-N 1 0 250.342 2.284 10 0 CEAERO CCCCCC[C@@H](C)NC(=O)C1(C[NH3+])CCOCC1 ZINC000044763673 175247648 /nfs/dbraw/zinc/24/76/48/175247648.db2.gz GQSGDKXTGYALLR-CYBMUJFWSA-N 1 0 270.417 2.217 10 0 CEAERO [NH3+]CC1(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)CCCCCC1 ZINC000044764353 175248672 /nfs/dbraw/zinc/24/86/72/175248672.db2.gz USXDQNXOGRVWBX-LSDHHAIUSA-N 1 0 294.439 2.456 10 0 CEAERO CC[C@@H]1CCCN1C(=O)[C@H](C[NH3+])Cc1ccccc1 ZINC000044803283 175255975 /nfs/dbraw/zinc/25/59/75/175255975.db2.gz AADORWSRBHIIOB-LSDHHAIUSA-N 1 0 260.381 2.205 10 0 CEAERO CC(C)[C@H](C[NH3+])C(=O)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000044802496 175256302 /nfs/dbraw/zinc/25/63/02/175256302.db2.gz RYRAHGWTDUXSNB-MCIONIFRSA-N 1 0 252.402 2.256 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)N[C@H](C)c1cccc(F)c1 ZINC000044806359 175256476 /nfs/dbraw/zinc/25/64/76/175256476.db2.gz OCUAYFWRIXWZQU-PWSUYJOCSA-N 1 0 252.333 2.378 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)N[C@H](C)c1ccccc1F ZINC000044806323 175256492 /nfs/dbraw/zinc/25/64/92/175256492.db2.gz MNNGCXSZVODHND-MNOVXSKESA-N 1 0 252.333 2.378 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)N[C@H](C)CCc1ccccc1 ZINC000044808351 175256845 /nfs/dbraw/zinc/25/68/45/175256845.db2.gz PEZAYTMXUDFHCO-HIFRSBDPSA-N 1 0 262.397 2.499 10 0 CEAERO CC(C)CN(C(=O)[C@H](C[NH3+])Cc1ccccc1)C1CC1 ZINC000044807565 175257047 /nfs/dbraw/zinc/25/70/47/175257047.db2.gz BGOYPOOFPQYMTN-HNNXBMFYSA-N 1 0 274.408 2.451 10 0 CEAERO CC(C)[C@H](C[NH3+])C(=O)N(Cc1ccco1)C1CC1 ZINC000044808014 175257120 /nfs/dbraw/zinc/25/71/20/175257120.db2.gz OGENDITWCDVQLW-ZDUSSCGKSA-N 1 0 250.342 2.002 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N(CC(F)(F)F)C(C)C ZINC000044808190 175257211 /nfs/dbraw/zinc/25/72/11/175257211.db2.gz SEOJZUDFZSERIG-SECBINFHSA-N 1 0 254.296 2.161 10 0 CEAERO Cc1cc(C)c(C(N)=S)c(NCc2ccnc(C)n2)[nH+]1 ZINC000045009827 175289659 /nfs/dbraw/zinc/28/96/59/175289659.db2.gz IARVMEZTMIVMCR-UHFFFAOYSA-N 1 0 287.392 2.043 10 0 CEAERO COCC[C@](C)(C[NH3+])N(C)Cc1ccc(C)cc1 ZINC000045043133 175294761 /nfs/dbraw/zinc/29/47/61/175294761.db2.gz VXVJKESOEKJMKT-OAHLLOKOSA-N 1 0 250.386 2.181 10 0 CEAERO COCC[C@@](C)(C[NH3+])N(C)Cc1ccccc1C ZINC000045043389 175294894 /nfs/dbraw/zinc/29/48/94/175294894.db2.gz AJDQZWBGYNZOHP-HNNXBMFYSA-N 1 0 250.386 2.181 10 0 CEAERO C[C@H](CC(C)(C)c1ccccc1)[NH2+]CCCS(N)(=O)=O ZINC000045069549 175300945 /nfs/dbraw/zinc/30/09/45/175300945.db2.gz XDICPQSPBGLXKI-CYBMUJFWSA-N 1 0 298.452 2.011 10 0 CEAERO CN(CC(C)(C)C)C(=O)[C@@H](C[NH3+])Cc1ccccc1 ZINC000045085688 175303716 /nfs/dbraw/zinc/30/37/16/175303716.db2.gz ILTFJKGPGTYPDB-CQSZACIVSA-N 1 0 262.397 2.309 10 0 CEAERO [NH3+]C1(C(=O)N2CCC[C@H]2C2CCCC2)CCCC1 ZINC000045088364 175304492 /nfs/dbraw/zinc/30/44/92/175304492.db2.gz LAQBPKHPKFSAAR-ZDUSSCGKSA-N 1 0 250.386 2.439 10 0 CEAERO CCC[N@H+](CC(N)=S)CC(=O)Nc1ccccc1Cl ZINC000045093477 175306809 /nfs/dbraw/zinc/30/68/09/175306809.db2.gz UFNNXWNZMREBEA-UHFFFAOYSA-N 1 0 299.827 2.277 10 0 CEAERO COc1nc(N(C)C)sc1C[NH2+][C@H]1CC1(C)C ZINC000045117113 175311673 /nfs/dbraw/zinc/31/16/73/175311673.db2.gz SPAHEEMHLDXXEM-VIFPVBQESA-N 1 0 255.387 2.106 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])c1nc(-c2c(C)nn(C)c2C)c[nH]1 ZINC000045169390 175320204 /nfs/dbraw/zinc/32/02/04/175320204.db2.gz HSTYENFOOLZFKW-ISVAXAHUSA-N 1 0 261.373 2.473 10 0 CEAERO CCOC(=O)[C@](C)(N)CC[N@H+](CC)C1CCCCC1 ZINC000045224122 175332340 /nfs/dbraw/zinc/33/23/40/175332340.db2.gz QVQVHZKZFNSCPI-OAHLLOKOSA-N 1 0 270.417 2.312 10 0 CEAERO CCN[C@@](C)(CC[N@H+]1C[C@H](C)C[C@H](C)C1)C(=O)OCC ZINC000045224658 175332673 /nfs/dbraw/zinc/33/26/73/175332673.db2.gz ADVXGSZRKGHLAO-LZWOXQAQSA-N 1 0 284.444 2.286 10 0 CEAERO CCN[C@@](C[N@H+](C)C(C)C)(C(=O)OCC)c1ccccc1 ZINC000045229370 175334416 /nfs/dbraw/zinc/33/44/16/175334416.db2.gz RWIXGPDWMARELM-QGZVFWFLSA-N 1 0 292.423 2.395 10 0 CEAERO CC[N@H+](CC[C@@](C)([NH2+]C(C)C)C(=O)[O-])CC(C)C ZINC000045264171 175337562 /nfs/dbraw/zinc/33/75/62/175337562.db2.gz XECVCBCYYZDNQI-CQSZACIVSA-N 1 0 258.406 2.196 10 0 CEAERO CC[N@H+](CC[C@](C)(NC1CC1)C(=O)OC)CC(C)C ZINC000045264242 175337722 /nfs/dbraw/zinc/33/77/22/175337722.db2.gz CEMLYLCHQUUUMS-HNNXBMFYSA-N 1 0 270.417 2.038 10 0 CEAERO CCCC[NH+](CCCC)CC[C@](C)(NCC)C(N)=O ZINC000045263337 175337984 /nfs/dbraw/zinc/33/79/84/175337984.db2.gz YNYIQGLBRQSWSB-HNNXBMFYSA-N 1 0 271.449 2.132 10 0 CEAERO CCCN[C@](C[N@H+](C)CCC)(C(=O)OC)c1ccccc1 ZINC000045264328 175338420 /nfs/dbraw/zinc/33/84/20/175338420.db2.gz XIEVNQHXSREGOQ-KRWDZBQOSA-N 1 0 292.423 2.396 10 0 CEAERO CCC[N@H+](CC[C@](C)([NH2+]C(C)C)C(=O)[O-])C1CC1 ZINC000045267945 175339739 /nfs/dbraw/zinc/33/97/39/175339739.db2.gz PIYPAORLENFUJU-AWEZNQCLSA-N 1 0 256.390 2.092 10 0 CEAERO CCCCC[N@H+](C)C[C@@](N)(C(=O)OC)c1ccccc1 ZINC000045268065 175339767 /nfs/dbraw/zinc/33/97/67/175339767.db2.gz XTAWQEKKHXYEGN-INIZCTEOSA-N 1 0 278.396 2.136 10 0 CEAERO CC[N@H+](C[C@](N)(C(=O)OC)c1ccccc1)C1CCCC1 ZINC000045269160 175340633 /nfs/dbraw/zinc/34/06/33/175340633.db2.gz MMYOZTYPIVLBGS-QGZVFWFLSA-N 1 0 290.407 2.278 10 0 CEAERO CCCCC[N@H+](C)CC[C@@](C)(NC)C(=O)OCC ZINC000045268220 175340813 /nfs/dbraw/zinc/34/08/13/175340813.db2.gz DEIHZEMAULTCDI-CQSZACIVSA-N 1 0 258.406 2.040 10 0 CEAERO COC(=O)[C@@](C)(CC[N@H+](C)[C@@H](C)C1CC1)NC(C)C ZINC000045270359 175341414 /nfs/dbraw/zinc/34/14/14/175341414.db2.gz ZNSAJOBTLHEYDW-SWLSCSKDSA-N 1 0 270.417 2.037 10 0 CEAERO C[NH2+][C@@](C)(CC[N@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000045271952 175342177 /nfs/dbraw/zinc/34/21/77/175342177.db2.gz MGQUYQJSHYTCBS-AWEZNQCLSA-N 1 0 256.390 2.094 10 0 CEAERO CCOC(=O)[C@@](C)(C[N@H+](C)[C@@H](C)C(C)(C)C)NC1CC1 ZINC000045274754 175345000 /nfs/dbraw/zinc/34/50/00/175345000.db2.gz GJUCYNWSSKZGNC-BLLLJJGKSA-N 1 0 284.444 2.427 10 0 CEAERO CCCC[N@H+](CC[C@@](C)([NH2+]C(C)C)C(=O)[O-])C1CC1 ZINC000045276313 175346310 /nfs/dbraw/zinc/34/63/10/175346310.db2.gz DITYNEORYVKXPU-OAHLLOKOSA-N 1 0 270.417 2.482 10 0 CEAERO CCCCC[N@H+](C[C@](N)(C(N)=O)c1ccccc1)C(C)C ZINC000045278525 175348527 /nfs/dbraw/zinc/34/85/27/175348527.db2.gz KKRAAGIDIKJMSJ-QGZVFWFLSA-N 1 0 291.439 2.227 10 0 CEAERO CCOC(=O)[C@@](C)(CC[N@H+](C)[C@@H]1CCCC[C@@H]1C)NC ZINC000045279107 175349092 /nfs/dbraw/zinc/34/90/92/175349092.db2.gz OLRBNZBCJWDPOB-SQWLQELKSA-N 1 0 284.444 2.428 10 0 CEAERO COC(=O)[C@](C)(C[N@H+](CC(C)C)C(C)C)NC1CC1 ZINC000045280719 175350814 /nfs/dbraw/zinc/35/08/14/175350814.db2.gz LNEQNQAYNRCLKM-HNNXBMFYSA-N 1 0 270.417 2.037 10 0 CEAERO CC(C)[NH2+][C@@](C)(CC[N@H+](CC1CC1)C(C)C)C(=O)[O-] ZINC000045281013 175351371 /nfs/dbraw/zinc/35/13/71/175351371.db2.gz SDGMIEMWZVFFQV-HNNXBMFYSA-N 1 0 270.417 2.338 10 0 CEAERO CCOC(=O)[C@](C)(C[NH+]1CCC(CC)CC1)NC(C)C ZINC000045281396 175351983 /nfs/dbraw/zinc/35/19/83/175351983.db2.gz FBPOZWBFYPTOKY-INIZCTEOSA-N 1 0 284.444 2.428 10 0 CEAERO CCC1CCC([N@H+](C)C[C@@](C)(NC)C(=O)OC)CC1 ZINC000045281096 175352212 /nfs/dbraw/zinc/35/22/12/175352212.db2.gz HHADRFPQLZBVBT-SSDMNJCBSA-N 1 0 270.417 2.038 10 0 CEAERO CC[NH2+][C@@](C)(CCCC[NH+]1CCCCCC1)C(=O)[O-] ZINC000045377413 175367156 /nfs/dbraw/zinc/36/71/56/175367156.db2.gz PSXGVCIRBHDGSC-HNNXBMFYSA-N 1 0 270.417 2.486 10 0 CEAERO CC(C)[N@H+](C)CCCC[C@@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000045377947 175367639 /nfs/dbraw/zinc/36/76/39/175367639.db2.gz LNDKZYVKPKQFEM-CQSZACIVSA-N 1 0 256.390 2.092 10 0 CEAERO CCN[C@](C)(CCCC[N@H+](C)CC)C(=O)OCC ZINC000045382709 175371101 /nfs/dbraw/zinc/37/11/01/175371101.db2.gz MJGKNXVJSYPJMK-CQSZACIVSA-N 1 0 258.406 2.040 10 0 CEAERO CCOC(=O)[C@](C)(CCCC[N@H+](C)CC)NC1CC1 ZINC000045382769 175371258 /nfs/dbraw/zinc/37/12/58/175371258.db2.gz GVMXLDRVMNOVGF-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CCN[C@](C)(CCCC[N@H+](CC)C(C)C)C(=O)OC ZINC000045383661 175371398 /nfs/dbraw/zinc/37/13/98/175371398.db2.gz CEAPJWCQJTYPRD-OAHLLOKOSA-N 1 0 272.433 2.428 10 0 CEAERO CCC[NH2+][C@](C)(CCC[N@H+](CCC)C1CC1)C(=O)[O-] ZINC000045387528 175372895 /nfs/dbraw/zinc/37/28/95/175372895.db2.gz QEAPNVZYVJYQBN-OAHLLOKOSA-N 1 0 270.417 2.484 10 0 CEAERO CCOC(=O)[C@](C)(CCC[N@H+](C)CC1CC1)NC1CC1 ZINC000045419982 175377686 /nfs/dbraw/zinc/37/76/86/175377686.db2.gz YDZFXMGQSCAHJJ-INIZCTEOSA-N 1 0 282.428 2.182 10 0 CEAERO C[C@H](CO)[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[C@H](O)C1 ZINC000661445015 415269686 /nfs/dbraw/zinc/26/96/86/415269686.db2.gz XXHKDRWCWGWTIQ-QPSCCSFWSA-N 1 0 255.402 2.020 10 0 CEAERO Cc1cc([C@H](C)[NH2+]C[C@@H]2CC(=O)N(C)C2)cs1 ZINC000658241156 415274396 /nfs/dbraw/zinc/27/43/96/415274396.db2.gz KYRFCOONHYISAK-QWRGUYRKSA-N 1 0 252.383 2.185 10 0 CEAERO CN1C[C@@H](C[NH2+]C(C2CCC2)C2CCC2)CC1=O ZINC000658243248 415277184 /nfs/dbraw/zinc/27/71/84/415277184.db2.gz YXEVEVLKWJCNBN-LLVKDONJSA-N 1 0 250.386 2.023 10 0 CEAERO CN1C[C@@H](C[NH2+][C@@H]2CCSc3ccccc32)CC1=O ZINC000658243363 415278866 /nfs/dbraw/zinc/27/88/66/415278866.db2.gz COEFJONRLGVCMA-DGCLKSJQSA-N 1 0 276.405 2.291 10 0 CEAERO C[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1cc(F)ccc1F ZINC000658245594 415280075 /nfs/dbraw/zinc/28/00/75/415280075.db2.gz SRTJXBLMGVQBJQ-VHSXEESVSA-N 1 0 268.307 2.094 10 0 CEAERO CC(C)n1ccnc1C[N@@H+]1CCC[C@@H](C)[C@@H]1CCO ZINC000661491170 415289257 /nfs/dbraw/zinc/28/92/57/415289257.db2.gz FXKXBYYTGLZIHR-KGLIPLIRSA-N 1 0 265.401 2.447 10 0 CEAERO CCCCOC[C@@H](O)C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000661688328 415402441 /nfs/dbraw/zinc/40/24/41/415402441.db2.gz FRUIHFVEPZJBTM-KBPBESRZSA-N 1 0 261.381 2.236 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCCC2(CC2)C1 ZINC000659294296 415493681 /nfs/dbraw/zinc/49/36/81/415493681.db2.gz ZAUGOFRZCMJDOH-AVGNSLFASA-N 1 0 250.386 2.200 10 0 CEAERO CCCc1ccccc1NC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000659264183 415478925 /nfs/dbraw/zinc/47/89/25/415478925.db2.gz FAMQSEHWGMRUDZ-INIZCTEOSA-N 1 0 276.380 2.346 10 0 CEAERO O=C(NC1CCC(C2CCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000659387431 415558633 /nfs/dbraw/zinc/55/86/33/415558633.db2.gz ZYDRSWKQVXTQOR-SLTAFYQDSA-N 1 0 264.413 2.461 10 0 CEAERO C[C@H]1CN(C(=O)CC[C@@H]2CCCC[NH2+]2)C[C@H](C)S1 ZINC000070386687 175904554 /nfs/dbraw/zinc/90/45/54/175904554.db2.gz ZVFCPYIDOVWLRW-AVGNSLFASA-N 1 0 270.442 2.261 10 0 CEAERO C[NH2+][C@@H](Cc1cccc(F)c1)Cc1ccnc(N)c1 ZINC000070402955 175911942 /nfs/dbraw/zinc/91/19/42/175911942.db2.gz JPTYFSKLSWOGKK-AWEZNQCLSA-N 1 0 259.328 2.176 10 0 CEAERO COCCOCC[C@]1(C[NH3+])CCCc2ccccc21 ZINC000070483219 175953487 /nfs/dbraw/zinc/95/34/87/175953487.db2.gz OYOOXWGQSKRGRS-INIZCTEOSA-N 1 0 263.381 2.273 10 0 CEAERO CCOC(=O)CC[C@@H]([NH3+])c1ccc2c(c1)OC[C@@H](C)CO2 ZINC000070510477 175960719 /nfs/dbraw/zinc/96/07/19/175960719.db2.gz GRTURRCSHFZLQT-WCQYABFASA-N 1 0 293.363 2.437 10 0 CEAERO CC(C)[NH2+][C@@](CO)(CN(CC(F)(F)F)C(C)C)C1CC1 ZINC000070513882 175962248 /nfs/dbraw/zinc/96/22/48/175962248.db2.gz WBCTYEPTWONEKZ-CYBMUJFWSA-N 1 0 296.377 2.398 10 0 CEAERO C[C@@](O)(C[NH3+])COc1ccc(Cc2ccccc2)cc1 ZINC000070521814 175967215 /nfs/dbraw/zinc/96/72/15/175967215.db2.gz SMJIRUZROCPDMH-QGZVFWFLSA-N 1 0 271.360 2.366 10 0 CEAERO C[NH2+]C[C@@H](C)CSc1nnc(C2CC2)n1C1CC1 ZINC000070525706 175970673 /nfs/dbraw/zinc/97/06/73/175970673.db2.gz BLGKFTKURHTECI-SECBINFHSA-N 1 0 266.414 2.438 10 0 CEAERO CC[C@@H]1CCCN(C(=O)c2ccc(CC[NH3+])cc2)C1 ZINC000070541815 175977407 /nfs/dbraw/zinc/97/74/07/175977407.db2.gz NUOFDDMOERXPLD-CYBMUJFWSA-N 1 0 260.381 2.450 10 0 CEAERO [NH3+][C@H]1CCC[C@@H](C(=O)N(CC(F)(F)F)C2CC2)C1 ZINC000070577886 175993409 /nfs/dbraw/zinc/99/34/09/175993409.db2.gz GECWIEKBYFOFNW-BDAKNGLRSA-N 1 0 264.291 2.057 10 0 CEAERO CCO[C@@H](C[NH3+])CSc1ncccc1Br ZINC000070615280 175997662 /nfs/dbraw/zinc/99/76/62/175997662.db2.gz XLWMFVHWDNMCDW-QMMMGPOBSA-N 1 0 291.214 2.300 10 0 CEAERO C[NH2+]CCC[C@H](C)n1cc(I)cn1 ZINC000070678900 176001222 /nfs/dbraw/zinc/00/12/22/176001222.db2.gz DIWMOHXXKUSVQB-QMMMGPOBSA-N 1 0 293.152 2.048 10 0 CEAERO C[NH2+]Cc1ccnn1Cc1ccccc1Br ZINC000070708827 176002817 /nfs/dbraw/zinc/00/28/17/176002817.db2.gz PRBHEQGEMGAVSI-UHFFFAOYSA-N 1 0 280.169 2.413 10 0 CEAERO CCCN(CC(=O)OCC)C[C@@H](C[NH3+])c1ccccc1 ZINC000070941171 176015134 /nfs/dbraw/zinc/01/51/34/176015134.db2.gz CAHXZGNXKRWYKZ-OAHLLOKOSA-N 1 0 278.396 2.004 10 0 CEAERO COc1ccccc1C(=O)N(CC[NH3+])C1CCCC1 ZINC000070943508 176016763 /nfs/dbraw/zinc/01/67/63/176016763.db2.gz YOFYODIQEROQCO-UHFFFAOYSA-N 1 0 262.353 2.039 10 0 CEAERO C[C@@H](C(=O)Nc1ccccc1)N(CC[NH3+])C1CCCC1 ZINC000070975436 176017931 /nfs/dbraw/zinc/01/79/31/176017931.db2.gz RITHOJMOUBXIBB-ZDUSSCGKSA-N 1 0 275.396 2.217 10 0 CEAERO [NH3+][C@H]1CCC(=O)N(C2CC2)[C@@H]1c1ccc(F)cc1F ZINC000070987420 176018497 /nfs/dbraw/zinc/01/84/97/176018497.db2.gz CLFHCNSAFJELRH-GXTWGEPZSA-N 1 0 266.291 2.118 10 0 CEAERO Cc1cc(F)ccc1[C@@H]1[C@@H]([NH3+])CCC(=O)N1C1CC1 ZINC000070987370 176018633 /nfs/dbraw/zinc/01/86/33/176018633.db2.gz QPLKHLRTOHFCIZ-DZGCQCFKSA-N 1 0 262.328 2.287 10 0 CEAERO C[NH2+][C@@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000071032084 176022869 /nfs/dbraw/zinc/02/28/69/176022869.db2.gz XKLFHWAXNKBIRP-GXFFZTMASA-N 1 0 250.317 2.097 10 0 CEAERO CC(C)[NH2+][C@H]1CCN([C@@H]2C[C@@H]2c2ccccc2)C1=O ZINC000071031683 176023219 /nfs/dbraw/zinc/02/32/19/176023219.db2.gz DDWPMADZAHUROW-QLFBSQMISA-N 1 0 258.365 2.141 10 0 CEAERO CCc1nc(N2CC[C@H]([NH2+]C(C)C)C2=O)sc1C ZINC000071032251 176023387 /nfs/dbraw/zinc/02/33/87/176023387.db2.gz YPRKWEAYMZZLIV-NSHDSACASA-N 1 0 267.398 2.117 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCCN1CCc1ccsc1 ZINC000071032288 176023425 /nfs/dbraw/zinc/02/34/25/176023425.db2.gz OMIMSLQNMHGGGG-CYBMUJFWSA-N 1 0 264.394 2.034 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCCN1Cc1ccccc1F ZINC000071032837 176023539 /nfs/dbraw/zinc/02/35/39/176023539.db2.gz TXRNKANYSSKWOH-AWEZNQCLSA-N 1 0 262.328 2.069 10 0 CEAERO CCC[NH2+][C@H]1CCCN(CCc2cccs2)C1=O ZINC000071033445 176023746 /nfs/dbraw/zinc/02/37/46/176023746.db2.gz WBQROAWTSNQYHO-ZDUSSCGKSA-N 1 0 266.410 2.281 10 0 CEAERO CCC[NH2+][C@@H]1CCCN(Cc2ccc(F)c(F)c2)C1=O ZINC000071034454 176024615 /nfs/dbraw/zinc/02/46/15/176024615.db2.gz XKPRBMVVINNXKX-CQSZACIVSA-N 1 0 282.334 2.455 10 0 CEAERO CCC[NH2+][C@@H]1CCCN(CCc2ccc(OC)cc2)C1=O ZINC000071037668 176026314 /nfs/dbraw/zinc/02/63/14/176026314.db2.gz OLGGOPSZNRNCFC-MRXNPFEDSA-N 1 0 290.407 2.228 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCN1C1CCCCCCC1 ZINC000071037733 176026730 /nfs/dbraw/zinc/02/67/30/176026730.db2.gz YXXXYTTUJAFSPE-CQSZACIVSA-N 1 0 250.386 2.452 10 0 CEAERO CCC[NH2+][C@H]1CCCN([C@H](C)c2ccco2)C1=O ZINC000071040110 176027367 /nfs/dbraw/zinc/02/73/67/176027367.db2.gz ADWCRXHDJQYEHS-NEPJUHHUSA-N 1 0 250.342 2.331 10 0 CEAERO CCC[NH2+][C@H]1CCCN([C@@H](C)c2ccncc2)C1=O ZINC000071040160 176027628 /nfs/dbraw/zinc/02/76/28/176027628.db2.gz CIWIHRMZQHNKET-JSGCOSHPSA-N 1 0 261.369 2.133 10 0 CEAERO Cc1cccc(CN2CCC[C@H]([NH2+]C(C)C)C2=O)c1 ZINC000071041274 176027884 /nfs/dbraw/zinc/02/78/84/176027884.db2.gz KZWQBASEZCGVPX-HNNXBMFYSA-N 1 0 260.381 2.484 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCCN1[C@@H]1CCc2ccccc2C1 ZINC000071041974 176028074 /nfs/dbraw/zinc/02/80/74/176028074.db2.gz DQADALZXGMWKSR-SJORKVTESA-N 1 0 284.403 2.287 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCCN1c1cc(F)c(F)cc1F ZINC000071042661 176028502 /nfs/dbraw/zinc/02/85/02/176028502.db2.gz UMHSGXAAQAUFGJ-LBPRGKRZSA-N 1 0 284.281 2.351 10 0 CEAERO CC[NH2+]C1CCN(C[C@@H]2OCCc3ccccc32)CC1 ZINC000071044397 176029987 /nfs/dbraw/zinc/02/99/87/176029987.db2.gz WFXQQFGIBKRULV-KRWDZBQOSA-N 1 0 274.408 2.374 10 0 CEAERO c1ccc2c(c1)CCO[C@H]2C[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000071090993 176031132 /nfs/dbraw/zinc/03/11/32/176031132.db2.gz KXRUZEGLUTYCGA-PBHICJAKSA-N 1 0 272.392 2.127 10 0 CEAERO c1cn(C[C@@H]2OCCc3ccccc32)c(C[NH2+]C2CC2)n1 ZINC000071092296 176031825 /nfs/dbraw/zinc/03/18/25/176031825.db2.gz MLXHFNYTRIVVFP-INIZCTEOSA-N 1 0 283.375 2.449 10 0 CEAERO CC[C@H]1CCC[C@@](C[NH3+])(N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000071122575 176035078 /nfs/dbraw/zinc/03/50/78/176035078.db2.gz ZEAMSEUYUQTBOH-LJISPDSOSA-N 1 0 254.418 2.393 10 0 CEAERO CCC[NH2+][C@H](c1ccc2c(c1)C(=O)N(C)C(=O)C2)C1CC1 ZINC000071139516 176038034 /nfs/dbraw/zinc/03/80/34/176038034.db2.gz RWVDYMOXRYIPTC-INIZCTEOSA-N 1 0 286.375 2.292 10 0 CEAERO C[NH2+][C@@H](c1ccc2c(c1)C(=O)N(C)C(=O)C2)C(C)(C)C ZINC000071139460 176038041 /nfs/dbraw/zinc/03/80/41/176038041.db2.gz OPAZEPRWPQMLOP-AWEZNQCLSA-N 1 0 274.364 2.148 10 0 CEAERO C[NH2+]C[C@H]1CCN(C(=O)c2cccc(OC(C)C)c2)C1 ZINC000071143024 176040657 /nfs/dbraw/zinc/04/06/57/176040657.db2.gz OGTXLXWYAIFTRH-CYBMUJFWSA-N 1 0 276.380 2.155 10 0 CEAERO CC1=C(C)C(=O)N([C@@H]2CC[NH2+]C3(CCCCC3)C2)C1=O ZINC000071164306 176046973 /nfs/dbraw/zinc/04/69/73/176046973.db2.gz KNUFZJPVJLCAIV-CYBMUJFWSA-N 1 0 276.380 2.147 10 0 CEAERO COC(C[NH2+]Cc1ccc2c(c1)CC(C)(C)O2)OC ZINC000071170252 176051106 /nfs/dbraw/zinc/05/11/06/176051106.db2.gz TULARGQCHCEAFD-UHFFFAOYSA-N 1 0 265.353 2.109 10 0 CEAERO COc1cncc(N(CCC[NH3+])c2ccccc2F)n1 ZINC000071175745 176054466 /nfs/dbraw/zinc/05/44/66/176054466.db2.gz OGPSBYLBBITKDF-UHFFFAOYSA-N 1 0 276.315 2.111 10 0 CEAERO CCCOc1cncc(N2CCC[C@H]2C[NH2+]CC(C)C)n1 ZINC000071176864 176055294 /nfs/dbraw/zinc/05/52/94/176055294.db2.gz GNKFRBWTOFZNAI-AWEZNQCLSA-N 1 0 292.427 2.480 10 0 CEAERO [NH3+]Cc1cnc(Sc2cc(F)ccc2F)cn1 ZINC000071178555 176055748 /nfs/dbraw/zinc/05/57/48/176055748.db2.gz UULVQWPPNVALMD-UHFFFAOYSA-N 1 0 253.277 2.365 10 0 CEAERO CCC[NH2+][C@H](C)c1ccc(F)cc1O[C@@H]1CCN(C)C1=O ZINC000071183193 176058327 /nfs/dbraw/zinc/05/83/27/176058327.db2.gz QFQJNEOOCKAPMB-BXUZGUMPSA-N 1 0 294.370 2.496 10 0 CEAERO CCC[NH2+]Cc1ccc(O[C@@H]2CCN(C)C2=O)c(Cl)c1 ZINC000071183064 176058730 /nfs/dbraw/zinc/05/87/30/176058730.db2.gz UDRZNLCWZMMLIL-CQSZACIVSA-N 1 0 296.798 2.449 10 0 CEAERO CN(C[C@H]1CC[N@H+](C)C1)c1ccc(N)cc1Cl ZINC000071188390 176062880 /nfs/dbraw/zinc/06/28/80/176062880.db2.gz VUKFTBSQTXPXHD-JTQLQIEISA-N 1 0 253.777 2.310 10 0 CEAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cc(F)c(F)c(F)c1 ZINC000071189313 176064684 /nfs/dbraw/zinc/06/46/84/176064684.db2.gz CSHMEBZTZWXBOD-VIFPVBQESA-N 1 0 286.297 2.128 10 0 CEAERO CNc1c(F)cc(C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)cc1F ZINC000071193131 176075483 /nfs/dbraw/zinc/07/54/83/176075483.db2.gz PLFQRPATYIKJCP-SNVBAGLBSA-N 1 0 297.349 2.030 10 0 CEAERO CCC[NH2+][C@@H]1CCCN(CCc2cscn2)C1 ZINC000071199829 176077118 /nfs/dbraw/zinc/07/71/18/176077118.db2.gz WSZQGCLLHDEIRH-GFCCVEGCSA-N 1 0 253.415 2.150 10 0 CEAERO CCOC(=O)c1ncsc1N[C@@H](C)C[NH+](CC)CC ZINC000071202108 176078188 /nfs/dbraw/zinc/07/81/88/176078188.db2.gz HZOUFXIVDULVKM-JTQLQIEISA-N 1 0 285.413 2.462 10 0 CEAERO CCOC(=O)c1ncsc1N[C@H](C)C[NH+](CC)CC ZINC000071202107 176078260 /nfs/dbraw/zinc/07/82/60/176078260.db2.gz HZOUFXIVDULVKM-SNVBAGLBSA-N 1 0 285.413 2.462 10 0 CEAERO CCOC(=O)c1ncsc1N[C@H](C)C[NH+]1CCCC1 ZINC000071202077 176078350 /nfs/dbraw/zinc/07/83/50/176078350.db2.gz VCUVHVMKRYCGGH-SNVBAGLBSA-N 1 0 283.397 2.216 10 0 CEAERO CCOC(=O)c1ncsc1N[C@@H](C)CC[NH+](C)C ZINC000071202142 176078364 /nfs/dbraw/zinc/07/83/64/176078364.db2.gz AYCHINAEYOVPRV-VIFPVBQESA-N 1 0 271.386 2.072 10 0 CEAERO Cc1ncsc1CN1CC[C@H](C[NH2+]C2CC2)C1 ZINC000071213149 176085063 /nfs/dbraw/zinc/08/50/63/176085063.db2.gz ISLMXFZTFTVLJV-LLVKDONJSA-N 1 0 251.399 2.025 10 0 CEAERO COCC[N@H+](CCC(N)=S)Cc1cc(C)ccc1C ZINC000071225401 176088874 /nfs/dbraw/zinc/08/88/74/176088874.db2.gz UADMVKMDMSMIKB-UHFFFAOYSA-N 1 0 280.437 2.428 10 0 CEAERO CC(C)(C)OC(=O)N1CCCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000071257586 176096029 /nfs/dbraw/zinc/09/60/29/176096029.db2.gz OFOZKWYGKIHBAG-NEPJUHHUSA-N 1 0 254.374 2.386 10 0 CEAERO NC(=[NH2+])c1cc(F)ccc1COC[C@@H]1CCCCO1 ZINC000071268194 176101732 /nfs/dbraw/zinc/10/17/32/176101732.db2.gz AAYUWOIPISADFQ-LBPRGKRZSA-N 1 0 266.316 2.195 10 0 CEAERO CCOC(=O)CCCCC[NH2+]C[C@H]1CCCN1CC ZINC000071293153 176110968 /nfs/dbraw/zinc/11/09/68/176110968.db2.gz WXESWQHBPAWJRQ-CQSZACIVSA-N 1 0 270.417 2.184 10 0 CEAERO CCOC(=O)CCCCC[N@H+](CCOC)C1CC1 ZINC000071293180 176111276 /nfs/dbraw/zinc/11/12/76/176111276.db2.gz YXIRWJMZXCASEF-UHFFFAOYSA-N 1 0 257.374 2.221 10 0 CEAERO CCOC(=O)CCCCC[N@H+](C)[C@H](C)CC(N)=S ZINC000071297651 176112746 /nfs/dbraw/zinc/11/27/46/176112746.db2.gz UPIPXIAZVAFPGR-LLVKDONJSA-N 1 0 274.430 2.106 10 0 CEAERO c1ccc2c(c1)C[C@@H](CNC1=[NH+]C[C@@H](C3CC3)S1)O2 ZINC000071307915 176116403 /nfs/dbraw/zinc/11/64/03/176116403.db2.gz NEQJHVKHBUOITL-JSGCOSHPSA-N 1 0 274.389 2.461 10 0 CEAERO CN(Cc1nc(-c2ccccc2Cl)no1)[C@H]1CC[NH2+]C1 ZINC000071310722 176117478 /nfs/dbraw/zinc/11/74/78/176117478.db2.gz KVJAANBNKXFCMP-JTQLQIEISA-N 1 0 292.770 2.184 10 0 CEAERO CN(Cc1noc(-c2ccc(Cl)cc2)n1)[C@@H]1CC[NH2+]C1 ZINC000071310713 176117771 /nfs/dbraw/zinc/11/77/71/176117771.db2.gz UADGWVUDLAKEAR-GFCCVEGCSA-N 1 0 292.770 2.184 10 0 CEAERO CCN(C(=O)c1ccc(C)c(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000071312386 176119167 /nfs/dbraw/zinc/11/91/67/176119167.db2.gz DOHYPBCCGMWURN-LBPRGKRZSA-N 1 0 266.772 2.472 10 0 CEAERO CCN(C(=O)Cc1ccccc1Cl)[C@H]1CC[NH2+]C1 ZINC000071312599 176119179 /nfs/dbraw/zinc/11/91/79/176119179.db2.gz LFULVTLBMWDRQO-LBPRGKRZSA-N 1 0 266.772 2.093 10 0 CEAERO CCN(C(=O)Cc1ccc(Cl)cc1)[C@@H]1CC[NH2+]C1 ZINC000071312618 176119323 /nfs/dbraw/zinc/11/93/23/176119323.db2.gz AYZUIXIOGDZSHM-CYBMUJFWSA-N 1 0 266.772 2.093 10 0 CEAERO CCc1cc2c(ncnc2N(CC)[C@@H]2CC[NH2+]C2)s1 ZINC000071314194 176120581 /nfs/dbraw/zinc/12/05/81/176120581.db2.gz VPYJRPCKIAYFLI-SNVBAGLBSA-N 1 0 276.409 2.442 10 0 CEAERO CCCN(Cc1ccc2c(c1)OCCCO2)[C@H]1CC[NH2+]C1 ZINC000071314871 176120815 /nfs/dbraw/zinc/12/08/15/176120815.db2.gz UIISZUGATUAGHZ-HNNXBMFYSA-N 1 0 290.407 2.422 10 0 CEAERO CCCS(=O)(=O)c1ccc(N(CC)[C@H]2CC[NH2+]C2)cc1 ZINC000071314407 176120901 /nfs/dbraw/zinc/12/09/01/176120901.db2.gz RZCNBMMFBVULCW-AWEZNQCLSA-N 1 0 296.436 2.059 10 0 CEAERO CCCS(=O)(=O)c1ccc(N(CC)[C@@H]2CC[NH2+]C2)cc1 ZINC000071314406 176121113 /nfs/dbraw/zinc/12/11/13/176121113.db2.gz RZCNBMMFBVULCW-CQSZACIVSA-N 1 0 296.436 2.059 10 0 CEAERO CC(C)C[C@@H](CN(C)C)[NH2+]C1CN(C(=O)OC(C)(C)C)C1 ZINC000071335724 176126975 /nfs/dbraw/zinc/12/69/75/176126975.db2.gz LPAWJGJYRHHDMJ-ZDUSSCGKSA-N 1 0 299.459 2.172 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(NC(=O)NCc2ccnn2C)cc1 ZINC000071336410 176128024 /nfs/dbraw/zinc/12/80/24/176128024.db2.gz OXMONHHHJALRSB-NSHDSACASA-N 1 0 287.367 2.022 10 0 CEAERO Cc1ccc(C)c(C(=O)NC[C@@H]2[NH2+]CCC[C@@H]2C)c1 ZINC000071338683 176128932 /nfs/dbraw/zinc/12/89/32/176128932.db2.gz IDOUKOUKZCRAMV-ZFWWWQNUSA-N 1 0 260.381 2.421 10 0 CEAERO Cc1ccc(CC(=O)NC[C@@H]2[NH2+]CCC[C@H]2C)cc1 ZINC000071338769 176128998 /nfs/dbraw/zinc/12/89/98/176128998.db2.gz LXPCQHNQAIJJNS-HIFRSBDPSA-N 1 0 260.381 2.042 10 0 CEAERO Cc1nccn1CCN1CC(C)(C)[NH2+]C[C@@H]1C(C)(C)C ZINC000071342878 176130278 /nfs/dbraw/zinc/13/02/78/176130278.db2.gz QDRFFMGCURGJTJ-CQSZACIVSA-N 1 0 278.444 2.290 10 0 CEAERO CC(C)C[C@@H]1CNC(C)(C)C[N@@H+]1CCCn1ccnc1 ZINC000071342688 176130305 /nfs/dbraw/zinc/13/03/05/176130305.db2.gz NJYVVWBNYCSRDK-OAHLLOKOSA-N 1 0 278.444 2.372 10 0 CEAERO CC[C@@H](C)[C@H]1CNC(C)(C)C[N@@H+]1CCCn1ccnc1 ZINC000071342526 176130487 /nfs/dbraw/zinc/13/04/87/176130487.db2.gz MLJBLLZFAFQSGL-HUUCEWRRSA-N 1 0 278.444 2.372 10 0 CEAERO COCCOCC[N@@H+]1CC(C)(C)NC[C@H]1C1CCCCC1 ZINC000071343010 176131157 /nfs/dbraw/zinc/13/11/57/176131157.db2.gz YGBADIDCTQXAMG-INIZCTEOSA-N 1 0 298.471 2.282 10 0 CEAERO Nc1ccn(CCC[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)n1 ZINC000071352121 176134893 /nfs/dbraw/zinc/13/48/93/176134893.db2.gz RFNUTOZHROERQI-UONOGXRCSA-N 1 0 262.401 2.368 10 0 CEAERO CC[C@]1(C)C[NH2+][C@@H](CC(C)C)CN1Cc1ncccn1 ZINC000071351743 176135092 /nfs/dbraw/zinc/13/50/92/176135092.db2.gz GLQIRQXSLVEJLO-GOEBONIOSA-N 1 0 276.428 2.465 10 0 CEAERO C[C@H]1CCC[C@@H]([N@H+](C)CCCn2ccc(N)n2)C1 ZINC000071352222 176135104 /nfs/dbraw/zinc/13/51/04/176135104.db2.gz GQJZUYWDVFQAKB-QWHCGFSZSA-N 1 0 250.390 2.366 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(CCOC)[C@H](C(C)(C)C)C[NH2+]1 ZINC000071355492 176136523 /nfs/dbraw/zinc/13/65/23/176136523.db2.gz UABYZXXKBGPRJG-RDBSUJKOSA-N 1 0 256.434 2.367 10 0 CEAERO CC[C@H](C)[C@@H]1CN(CCOCCOC)C2(CCCC2)C[NH2+]1 ZINC000071356175 176136559 /nfs/dbraw/zinc/13/65/59/176136559.db2.gz WZVSEDDUEQEYMQ-HOTGVXAUSA-N 1 0 298.471 2.282 10 0 CEAERO CCC1(CC)CNC2(CCCC2)C[N@@H+]1CCOCCOC ZINC000071359087 176137324 /nfs/dbraw/zinc/13/73/24/176137324.db2.gz BGTUQAPGXTYCMF-UHFFFAOYSA-N 1 0 298.471 2.426 10 0 CEAERO COCCOCCN1CC2(CCCCC2)[NH2+]C[C@H]1C1CC1 ZINC000071359736 176137660 /nfs/dbraw/zinc/13/76/60/176137660.db2.gz KLPXNCAZYPJGLO-INIZCTEOSA-N 1 0 296.455 2.036 10 0 CEAERO CC[C@H](C)[C@@H]1C[NH2+][C@@](C)(CC)CN1Cc1cnn(C)c1 ZINC000071357189 176137730 /nfs/dbraw/zinc/13/77/30/176137730.db2.gz SLCUDJFXRNLFLD-BPUTZDHNSA-N 1 0 278.444 2.409 10 0 CEAERO COCCOCCN1CC2(CCCC2)[NH2+]C[C@H]1CC(C)C ZINC000071358772 176138078 /nfs/dbraw/zinc/13/80/78/176138078.db2.gz IWQJEUYUKHKPQS-MRXNPFEDSA-N 1 0 298.471 2.282 10 0 CEAERO CCCn1c(C[NH3+])nnc1SCc1ccc(Cl)nc1 ZINC000071375295 176140393 /nfs/dbraw/zinc/14/03/93/176140393.db2.gz LCBPPUDAIDJASC-UHFFFAOYSA-N 1 0 297.815 2.488 10 0 CEAERO Cc1ccc(N)c(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000071383261 176146588 /nfs/dbraw/zinc/14/65/88/176146588.db2.gz PISRPSVGJMHIBC-CQSZACIVSA-N 1 0 289.423 2.429 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(Cc2cc(C)ccc2N)CC1 ZINC000071384049 176146978 /nfs/dbraw/zinc/14/69/78/176146978.db2.gz RNVMMPIKMQCCKQ-CQSZACIVSA-N 1 0 261.413 2.493 10 0 CEAERO C[C@H]1CCN(c2nc3ccccc3cc2C(N)=[NH2+])C1 ZINC000071390110 176148466 /nfs/dbraw/zinc/14/84/66/176148466.db2.gz DGRHNBYMUJYBID-JTQLQIEISA-N 1 0 254.337 2.365 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(N)c(Cl)c1 ZINC000071394894 176149499 /nfs/dbraw/zinc/14/94/99/176149499.db2.gz MIZYRFZIHUAUCT-LLVKDONJSA-N 1 0 281.787 2.136 10 0 CEAERO C[NH2+]Cc1ccc(OCc2ncon2)c(C(F)(F)F)c1 ZINC000071398500 176151865 /nfs/dbraw/zinc/15/18/65/176151865.db2.gz DSKOYMPZLVJQDN-UHFFFAOYSA-N 1 0 287.241 2.387 10 0 CEAERO CCOC[C@@H](C)NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000071401289 176153550 /nfs/dbraw/zinc/15/35/50/176153550.db2.gz NQHZXXCUBFMDIA-OCCSQVGLSA-N 1 0 264.369 2.008 10 0 CEAERO CCCCNC(=O)[C@H](C)Oc1ccc(C)cc1C[NH3+] ZINC000071403379 176154654 /nfs/dbraw/zinc/15/46/54/176154654.db2.gz ATKCVMZWAKZCFR-LBPRGKRZSA-N 1 0 264.369 2.137 10 0 CEAERO Cc1ccc(O[C@@H](C)C(=O)NC2CCCC2)c(C[NH3+])c1 ZINC000071403358 176154682 /nfs/dbraw/zinc/15/46/82/176154682.db2.gz UQYHKYFJUNWQBA-LBPRGKRZSA-N 1 0 276.380 2.280 10 0 CEAERO CC[C@H](Oc1ccc(C)cc1C[NH2+]C(C)C)C(N)=O ZINC000071406567 176155961 /nfs/dbraw/zinc/15/59/61/176155961.db2.gz SXMCMWPENHGKMX-ZDUSSCGKSA-N 1 0 264.369 2.136 10 0 CEAERO CNC(=O)[C@H](C)Oc1ccc(C)cc1C[NH2+]C(C)C ZINC000071406638 176156146 /nfs/dbraw/zinc/15/61/46/176156146.db2.gz NINNMYYCPUYLEI-LBPRGKRZSA-N 1 0 264.369 2.006 10 0 CEAERO CCCNC(=O)[C@H](C)Oc1ccc(C)cc1C[C@H](C)[NH3+] ZINC000071411702 176157065 /nfs/dbraw/zinc/15/70/65/176157065.db2.gz POMATQPAORMAEU-STQMWFEESA-N 1 0 278.396 2.178 10 0 CEAERO CC[NH+](CC)CCCNC(=O)c1c(C)nc2ccccn21 ZINC000071475345 176186738 /nfs/dbraw/zinc/18/67/38/176186738.db2.gz AJLLYWJDBKXSDY-UHFFFAOYSA-N 1 0 288.395 2.104 10 0 CEAERO CO[C@@](C)(C[NH3+])c1ccc(Br)s1 ZINC000071571737 176197431 /nfs/dbraw/zinc/19/74/31/176197431.db2.gz CWAGANMSVVPVPN-QMMMGPOBSA-N 1 0 250.161 2.331 10 0 CEAERO CCOC(=O)C1(c2ccccc2F)CC[NH2+]CC1 ZINC000071572951 176199407 /nfs/dbraw/zinc/19/94/07/176199407.db2.gz RVZZSPDCBKQJPE-UHFFFAOYSA-N 1 0 251.301 2.010 10 0 CEAERO CCOc1cccc(CCCN2CC[NH2+]C[C@H]2C)c1 ZINC000071589130 176217420 /nfs/dbraw/zinc/21/74/20/176217420.db2.gz ZQADZKZWFREXEZ-CQSZACIVSA-N 1 0 262.397 2.312 10 0 CEAERO COc1cc([C@@H](O)[C@H](C)[NH2+]C2CC2)c(OC)cc1C ZINC000071597820 176221609 /nfs/dbraw/zinc/22/16/09/176221609.db2.gz JMMHIJIFOJNHJN-BONVTDFDSA-N 1 0 265.353 2.186 10 0 CEAERO CC(C)c1ccc(S(=O)(=O)C2CC[NH2+]CC2)cc1 ZINC000071599325 176223832 /nfs/dbraw/zinc/22/38/32/176223832.db2.gz IPVKLNCQXSUZNL-UHFFFAOYSA-N 1 0 267.394 2.336 10 0 CEAERO C[C@](O)(c1ccc2c(c1)OCCCO2)[C@H]1CCC[NH2+]C1 ZINC000071628234 176236108 /nfs/dbraw/zinc/23/61/08/176236108.db2.gz JXXFMDQTVFADFD-BBRMVZONSA-N 1 0 277.364 2.055 10 0 CEAERO COc1ccc([C@@H](O)[C@@H]([NH3+])C(C)C)cc1Br ZINC000071644291 176239433 /nfs/dbraw/zinc/23/94/33/176239433.db2.gz PKPMKXCYDDKNRN-NWDGAFQWSA-N 1 0 288.185 2.474 10 0 CEAERO [NH3+][C@@H](CO)c1ccc(Br)c(Cl)c1 ZINC000072199137 176339655 /nfs/dbraw/zinc/33/96/55/176339655.db2.gz MAQPLFXZWZJVQQ-QMMMGPOBSA-N 1 0 250.523 2.095 10 0 CEAERO c1nc(CC[C@@H]2CCCC[NH2+]2)cc(N2CCCC2)n1 ZINC000072386394 176391784 /nfs/dbraw/zinc/39/17/84/176391784.db2.gz MVCXZMKIUVMJBW-ZDUSSCGKSA-N 1 0 260.385 2.152 10 0 CEAERO Clc1cnc(N2CCC([C@H]3CCC[NH2+]C3)CC2)nc1 ZINC000656609913 415784605 /nfs/dbraw/zinc/78/46/05/415784605.db2.gz ZQFDDWUPXCCMNX-LBPRGKRZSA-N 1 0 280.803 2.346 10 0 CEAERO Cc1cc2ccccc2nc1N1CC2CC1(C[NH3+])C2 ZINC000656611085 415786490 /nfs/dbraw/zinc/78/64/90/415786490.db2.gz SNQKNYKNJGGYHA-UHFFFAOYSA-N 1 0 253.349 2.471 10 0 CEAERO Clc1nc2ncccc2c(NC[C@@H]2CCC[NH2+]C2)n1 ZINC000073736497 176489775 /nfs/dbraw/zinc/48/97/75/176489775.db2.gz NZLDFWBFFQGIGT-SECBINFHSA-N 1 0 277.759 2.090 10 0 CEAERO CC[C@H](C)CC[NH2+]C[C@H](O)COCc1ccco1 ZINC000656704207 415825580 /nfs/dbraw/zinc/82/55/80/415825580.db2.gz HEJIBIODVFTQQG-STQMWFEESA-N 1 0 255.358 2.183 10 0 CEAERO CCC[C@H]1C[C@@H]1NC(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662518076 415871336 /nfs/dbraw/zinc/87/13/36/415871336.db2.gz ZGFMJAQFGXVHAF-ONGXEEELSA-N 1 0 264.394 2.312 10 0 CEAERO O=C(NCc1ccc(Cl)c(Cl)c1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000662664311 415924641 /nfs/dbraw/zinc/92/46/41/415924641.db2.gz RAZJOFIOCVQDLA-GZMMTYOYSA-N 1 0 291.153 2.310 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC[C@@H](C2CCC2)C1 ZINC000662716503 415941444 /nfs/dbraw/zinc/94/14/44/415941444.db2.gz UKYHZOHYKSZLRX-IACUBPJLSA-N 1 0 252.402 2.399 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC[C@H](C3CCC3)C2)C1 ZINC000662715720 415941971 /nfs/dbraw/zinc/94/19/71/415941971.db2.gz PDDXMOKMLANDKY-HZSPNIEDSA-N 1 0 250.386 2.153 10 0 CEAERO CCS(=O)(=O)c1ccc(CCC(C)(C)C[NH3+])cc1 ZINC000076404646 177018597 /nfs/dbraw/zinc/01/85/97/177018597.db2.gz SRNXDPHOMWGKHV-UHFFFAOYSA-N 1 0 269.410 2.398 10 0 CEAERO [NH3+]CCC[C@@H](C(=O)NC1CCCC1)c1ccco1 ZINC000076654737 177044378 /nfs/dbraw/zinc/04/43/78/177044378.db2.gz NSCRQBRCCNTGQI-GFCCVEGCSA-N 1 0 250.342 2.161 10 0 CEAERO C[C@@H]1COC[C@@H](C)[NH+]1CCCOc1ccc2c(c1)OCO2 ZINC000077366948 177258328 /nfs/dbraw/zinc/25/83/28/177258328.db2.gz AHRIAOOAFZOEGJ-CHWSQXEVSA-N 1 0 293.363 2.293 10 0 CEAERO CCOC(=O)CCCCC[NH+]1[C@H](C)COC[C@H]1C ZINC000077369878 177259357 /nfs/dbraw/zinc/25/93/57/177259357.db2.gz RIWXJKNMLKRPIW-CHWSQXEVSA-N 1 0 257.374 2.219 10 0 CEAERO O[C@H](c1cnn(-c2ccccc2)c1)[C@@H]1CCCC[NH2+]1 ZINC000078597614 177357844 /nfs/dbraw/zinc/35/78/44/177357844.db2.gz FUOYUKTVEJQSBK-LSDHHAIUSA-N 1 0 257.337 2.048 10 0 CEAERO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H]2CCCC[C@@H]2O)cc1 ZINC000079043245 177420072 /nfs/dbraw/zinc/42/00/72/177420072.db2.gz XBTSPEQKNSUSOY-SNPRPXQTSA-N 1 0 276.380 2.215 10 0 CEAERO CC(=O)Nc1cccc(NC(=O)CC[C@@H](C)CC[NH3+])c1 ZINC000079079214 177429656 /nfs/dbraw/zinc/42/96/56/177429656.db2.gz VINZXOCNTFIHAS-LLVKDONJSA-N 1 0 277.368 2.349 10 0 CEAERO Cc1noc(C)c1CN(C)C(=O)CC[C@@H](C)CC[NH3+] ZINC000079118692 177436938 /nfs/dbraw/zinc/43/69/38/177436938.db2.gz PUSLRNYKMDIHAT-SNVBAGLBSA-N 1 0 267.373 2.015 10 0 CEAERO CC[C@@H](CC[NH3+])CCC(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000079214439 177449389 /nfs/dbraw/zinc/44/93/89/177449389.db2.gz KLPHZEIMYODHTK-KGLIPLIRSA-N 1 0 292.427 2.271 10 0 CEAERO CCC[C@H](CC[NH3+])CCC(=O)N1CCCSCC1 ZINC000079240389 177453981 /nfs/dbraw/zinc/45/39/81/177453981.db2.gz RTXPOAQUQTYNNF-ZDUSSCGKSA-N 1 0 272.458 2.497 10 0 CEAERO C[NH2+][C@H](CN1CC[C@@H](C(C)C)CCC1=O)C1CC1 ZINC000079248802 177456825 /nfs/dbraw/zinc/45/68/25/177456825.db2.gz ONOJIYLRIZIIQP-GXTWGEPZSA-N 1 0 252.402 2.269 10 0 CEAERO CC(C)(C)[C@H](CC[NH3+])CCC(=O)N1CCC[C@@H](CO)C1 ZINC000079290360 177464261 /nfs/dbraw/zinc/46/42/61/177464261.db2.gz KZSANXZJQDERJF-KGLIPLIRSA-N 1 0 284.444 2.009 10 0 CEAERO Cc1cc(NC(=O)CC[C@H](CC[NH3+])C(C)(C)C)n(C)n1 ZINC000079288990 177464460 /nfs/dbraw/zinc/46/44/60/177464460.db2.gz DIVVTLYOIZAABM-GFCCVEGCSA-N 1 0 280.416 2.458 10 0 CEAERO Cc1ccc(CN(C(=O)[C@@]2(C)CCC[NH2+]2)C2CC2)o1 ZINC000079517602 177513397 /nfs/dbraw/zinc/51/33/97/177513397.db2.gz IKZQYGTYBGYUQM-OAHLLOKOSA-N 1 0 262.353 2.221 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])o1 ZINC000079526635 177516230 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CCN(CCC[NH+](CC)CC)C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000190128229 270267523 /nfs/dbraw/zinc/26/75/23/270267523.db2.gz QLWZEWRKFUWDHD-HUUCEWRRSA-N 1 0 299.459 2.317 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)N2CCS[C@H](C)CC2)[C@@H](C)C1 ZINC000192260912 270277067 /nfs/dbraw/zinc/27/70/67/270277067.db2.gz RAIMNUQCXURKCB-MJBXVCDLSA-N 1 0 299.484 2.252 10 0 CEAERO CCc1ccc(OCC(=O)N[C@H]2CCC[N@@H+](CC)C2)cc1 ZINC000194632462 270301908 /nfs/dbraw/zinc/30/19/08/270301908.db2.gz IBNATTUQFXCASR-HNNXBMFYSA-N 1 0 290.407 2.228 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)Oc2cccc(F)c2)C1 ZINC000194655445 270302227 /nfs/dbraw/zinc/30/22/27/270302227.db2.gz FMYYMUILZDKVAM-OCCSQVGLSA-N 1 0 294.370 2.194 10 0 CEAERO O=C(c1cccc2c1CCC2)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195046788 270305531 /nfs/dbraw/zinc/30/55/31/270305531.db2.gz VSTDLPVRPVWIII-OAHLLOKOSA-N 1 0 284.403 2.486 10 0 CEAERO O=C(Cc1ccc2c(c1)CCC2)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195096287 270305944 /nfs/dbraw/zinc/30/59/44/270305944.db2.gz 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ZZGNBAOBTDQYNV-OAHLLOKOSA-N 1 0 287.407 2.168 10 0 CEAERO CCCCOC[C@H](O)C[N@@H+]1CCN(C)CC12CCCCC2 ZINC000195181487 276238536 /nfs/dbraw/zinc/23/85/36/276238536.db2.gz HMWNRLHNMHFCFP-MRXNPFEDSA-N 1 0 298.471 2.114 10 0 CEAERO CCN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000105901090 276319547 /nfs/dbraw/zinc/31/95/47/276319547.db2.gz YBOBPEDQMMBCTD-GJZGRUSLSA-N 1 0 292.427 2.085 10 0 CEAERO CCN1CCC[C@H]([NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000336810699 276376014 /nfs/dbraw/zinc/37/60/14/276376014.db2.gz IYZJAMURRGKJBI-GRYCIOLGSA-N 1 0 280.334 2.170 10 0 CEAERO C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000247466533 277063959 /nfs/dbraw/zinc/06/39/59/277063959.db2.gz RNAFKOCZRJHQMH-ILXRZTDVSA-N 1 0 264.413 2.413 10 0 CEAERO CC(C)(C)OC(=O)N1C=C(Br)C=C[C@@H]1[NH3+] ZINC000085484813 277178799 /nfs/dbraw/zinc/17/87/99/277178799.db2.gz NIXYPAGMABOYKC-MRVPVSSYSA-N 1 0 275.146 2.314 10 0 CEAERO CSC[C@H](C)[NH2+][C@@H]1CC(=O)N(C)c2ccccc21 ZINC000131538886 277514549 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C[C@@H]1CCN(c2ccc(C(F)(F)F)nn2)[C@@H](C[NH3+])C1 ZINC000235351036 278557643 /nfs/dbraw/zinc/55/76/43/278557643.db2.gz PXDKBLVLCKHSAC-RKDXNWHRSA-N 1 0 274.290 2.059 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CC[C@@H]1CCOC1=O ZINC000120495525 279194665 /nfs/dbraw/zinc/19/46/65/279194665.db2.gz VXANFTJLPQCODF-KGLIPLIRSA-N 1 0 291.395 2.127 10 0 CEAERO C[C@H](C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1)C1C[NH2+]C1 ZINC000227141544 279232447 /nfs/dbraw/zinc/23/24/47/279232447.db2.gz QDICYCHWZFOULK-GDPRMGEGSA-N 1 0 278.318 2.079 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H](OC)c1ccccc1 ZINC000177025692 279326614 /nfs/dbraw/zinc/32/66/14/279326614.db2.gz VFHMELIRDNBOSX-JKSUJKDBSA-N 1 0 290.407 2.317 10 0 CEAERO C[C@H]([NH3+])CC(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000261785537 279394979 /nfs/dbraw/zinc/39/49/79/279394979.db2.gz BXLNBORRWNHDAI-MRCXROJRSA-N 1 0 282.771 2.024 10 0 CEAERO C[C@H]([NH3+])CCNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000245851142 279398727 /nfs/dbraw/zinc/39/87/27/279398727.db2.gz LUSNYWLACSEQRZ-CFVMTHIKSA-N 1 0 276.380 2.008 10 0 CEAERO Cc1noc(C)c1CNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000067761157 279655848 /nfs/dbraw/zinc/65/58/48/279655848.db2.gz RSXKQIAUYXHKNF-CYBMUJFWSA-N 1 0 296.415 2.067 10 0 CEAERO O=C(NCC1CC[NH2+]CC1)[C@H]1C[C@H]1C1CCCCC1 ZINC000120460779 279757858 /nfs/dbraw/zinc/75/78/58/279757858.db2.gz GEZTTYUVWJSMCM-GJZGRUSLSA-N 1 0 264.413 2.319 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000091496542 280044609 /nfs/dbraw/zinc/04/46/09/280044609.db2.gz VOPZJAFPRMKUSO-BVOGVELGSA-N 1 0 276.424 2.460 10 0 CEAERO Cc1oncc1CN1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000181724124 280108402 /nfs/dbraw/zinc/10/84/02/280108402.db2.gz ADROXNHKGOQANH-ZDUSSCGKSA-N 1 0 295.383 2.472 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1ccc2ccccc2c1 ZINC000261620835 280114158 /nfs/dbraw/zinc/11/41/58/280114158.db2.gz UOYHNTAVLWVXOU-XHDPSFHLSA-N 1 0 254.333 2.402 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCC2(SC)CCC2)C1 ZINC000194917227 280198653 /nfs/dbraw/zinc/19/86/53/280198653.db2.gz UHFFPZXSUXGODH-GFCCVEGCSA-N 1 0 285.457 2.056 10 0 CEAERO CCn1nccc1C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000245768222 280260217 /nfs/dbraw/zinc/26/02/17/280260217.db2.gz REDKWUMSQXWCCY-ZFWWWQNUSA-N 1 0 263.385 2.030 10 0 CEAERO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)N1CCOCC1 ZINC000245697545 280273631 /nfs/dbraw/zinc/27/36/31/280273631.db2.gz LFPHJDICAAJBPJ-RRFJBIMHSA-N 1 0 254.418 2.266 10 0 CEAERO C[NH+](C)C[C@H](NC(=O)[C@@H]1C[C@H]1C1CC1)c1ccccc1 ZINC000246485525 280296783 /nfs/dbraw/zinc/29/67/83/280296783.db2.gz LSIZZGHOSIJEFI-XHSDSOJGSA-N 1 0 272.392 2.452 10 0 CEAERO CC1(C)CCCC[C@@H]1NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246553418 280300786 /nfs/dbraw/zinc/30/07/86/280300786.db2.gz MTTQPPIBHBDFKB-KBPBESRZSA-N 1 0 279.428 2.445 10 0 CEAERO Cc1cc(Br)cnc1NCC1([NH3+])CCC1 ZINC000235742500 280312494 /nfs/dbraw/zinc/31/24/94/280312494.db2.gz ZAXHTKXEFGZJJG-UHFFFAOYSA-N 1 0 270.174 2.446 10 0 CEAERO CC(C)n1nnnc1C[N@@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000247524458 280332612 /nfs/dbraw/zinc/33/26/12/280332612.db2.gz NRVLGCFKJWASSB-JHJVBQTASA-N 1 0 263.389 2.407 10 0 CEAERO CC[C@@H]1CN(C(=O)C[C@H]2CCC[C@H]2C)CC[N@@H+]1CCOC ZINC000248982788 280377684 /nfs/dbraw/zinc/37/76/84/280377684.db2.gz JGUNFFSBCAGEPL-BZUAXINKSA-N 1 0 296.455 2.382 10 0 CEAERO CC(=O)[C@@H]1C[C@H](C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)C1(C)C ZINC000249076742 280382859 /nfs/dbraw/zinc/38/28/59/280382859.db2.gz ODCUTIBLPWJMLQ-FAAHXZRKSA-N 1 0 294.439 2.083 10 0 CEAERO Cc1cc(Cl)ccc1NC(=O)CN1CCC[C@H]1C[NH3+] ZINC000123380488 280507724 /nfs/dbraw/zinc/50/77/24/280507724.db2.gz CJFMEPYLGHGQRF-LBPRGKRZSA-N 1 0 281.787 2.010 10 0 CEAERO CC1(C)CCCC[C@@H]1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000094328225 280953676 /nfs/dbraw/zinc/95/36/76/280953676.db2.gz KZRCWHLLPRZCIU-UPJWGTAASA-N 1 0 252.402 2.446 10 0 CEAERO c1ccc(COCCC2(CN[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000423045275 281007366 /nfs/dbraw/zinc/00/73/66/281007366.db2.gz BWNXNGTZFUPROQ-MRXNPFEDSA-N 1 0 274.408 2.325 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1csc2c1CC[C@@H](C)C2 ZINC000423637497 281072408 /nfs/dbraw/zinc/07/24/08/281072408.db2.gz HHLABKJQRCGDIO-BREBYQMCSA-N 1 0 278.421 2.435 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(OC)nc1 ZINC000094449664 281194863 /nfs/dbraw/zinc/19/48/63/281194863.db2.gz NRVATKGIFLEGGZ-LSDHHAIUSA-N 1 0 275.396 2.149 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1c(C)ccn1C ZINC000189964476 288309397 /nfs/dbraw/zinc/30/93/97/288309397.db2.gz JKBDEHOZUUGRRH-UONOGXRCSA-N 1 0 275.396 2.032 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(C)c1O ZINC000175436907 288310612 /nfs/dbraw/zinc/31/06/12/288310612.db2.gz WDXRJKYPNNURQR-UONOGXRCSA-N 1 0 288.391 2.399 10 0 CEAERO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000069135399 281383087 /nfs/dbraw/zinc/38/30/87/281383087.db2.gz PNTXQGLUOOEGLE-QWHCGFSZSA-N 1 0 267.394 2.223 10 0 CEAERO C[NH+](C)CC(=O)N[C@@H]1c2ccccc2CCC1(C)C ZINC000124120140 289077434 /nfs/dbraw/zinc/07/74/34/289077434.db2.gz MBHDVDXJROTWLV-OAHLLOKOSA-N 1 0 260.381 2.378 10 0 CEAERO CC(=O)N[C@H]1CCC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000153941873 289128163 /nfs/dbraw/zinc/12/81/63/289128163.db2.gz JUHHAWLXPJTEPM-AWEZNQCLSA-N 1 0 271.364 2.268 10 0 CEAERO CC[NH2+]Cc1cccc(NC(=O)[C@@H]2CC[C@H](C)O2)c1 ZINC000158313028 289231656 /nfs/dbraw/zinc/23/16/56/289231656.db2.gz LYFGXEBJHWNCTR-FZMZJTMJSA-N 1 0 262.353 2.302 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)/C=C\c2cnc(C)s2)C1 ZINC000254992732 289256781 /nfs/dbraw/zinc/25/67/81/289256781.db2.gz VAZPZDLUZQMTQG-ZHRWSRJISA-N 1 0 279.409 2.065 10 0 CEAERO COC[C@H](C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000103428391 292992131 /nfs/dbraw/zinc/99/21/31/292992131.db2.gz FUADFJVLHPGQGM-GOEBONIOSA-N 1 0 290.407 2.222 10 0 CEAERO Cc1cnn([C@H]2CCC[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C2)c1 ZINC000175204327 293006865 /nfs/dbraw/zinc/00/68/65/293006865.db2.gz ALLKJFUJALNYGV-GJZGRUSLSA-N 1 0 292.427 2.084 10 0 CEAERO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000282177008 295109942 /nfs/dbraw/zinc/10/99/42/295109942.db2.gz FISPVIMJFAZUJB-SGMGOOAPSA-N 1 0 276.380 2.321 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000085371517 295314234 /nfs/dbraw/zinc/31/42/34/295314234.db2.gz MEBDQVNMVDFXSO-QUDLODQRSA-N 1 0 276.424 2.446 10 0 CEAERO C[C@@H](C[NH2+][C@@H]1CC(C)(C)Oc2ccccc21)S(C)(=O)=O ZINC000515239245 297568475 /nfs/dbraw/zinc/56/84/75/297568475.db2.gz AJGQUSAPGZEGQR-WCQYABFASA-N 1 0 297.420 2.312 10 0 CEAERO C[C@@H]([NH2+]CC1CC(O)C1)c1ccc(Br)cn1 ZINC000528018606 297778409 /nfs/dbraw/zinc/77/84/09/297778409.db2.gz NBYNWRORMLRQRW-FKTRJACZSA-N 1 0 285.185 2.266 10 0 CEAERO [NH3+]CCc1nc2cc(Br)cc(F)c2o1 ZINC000062538311 527199442 /nfs/dbraw/zinc/19/94/42/527199442.db2.gz UKVXHVRHDLJZMC-UHFFFAOYSA-N 1 0 259.078 2.231 10 0 CEAERO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000248883293 302164963 /nfs/dbraw/zinc/16/49/63/302164963.db2.gz SWGNPNJZJXZUJT-TUUVXOQKSA-N 1 0 272.392 2.355 10 0 CEAERO CC[C@@H](CSC)NC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000181059707 312779664 /nfs/dbraw/zinc/77/96/64/312779664.db2.gz DJTKPYCFDDSJPF-QWHCGFSZSA-N 1 0 289.489 2.404 10 0 CEAERO CCn1c(C)nnc1COc1ccc([C@@H](C)[NH3+])cc1 ZINC000568383096 313948494 /nfs/dbraw/zinc/94/84/94/313948494.db2.gz DYRSRAYDNNSMPQ-SNVBAGLBSA-N 1 0 260.341 2.205 10 0 CEAERO CCC[C@@H](C(=O)NCCCCOC(C)C)[NH+](C)C ZINC000183341981 321715717 /nfs/dbraw/zinc/71/57/17/321715717.db2.gz ATSZHCBQWXCFAD-ZDUSSCGKSA-N 1 0 258.406 2.038 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])[C@H]1c1ccc(N)cc1 ZINC000536954665 330382900 /nfs/dbraw/zinc/38/29/00/330382900.db2.gz XKHYYWUOAASORQ-QWHCGFSZSA-N 1 0 277.368 2.278 10 0 CEAERO CCN(C(=O)OC(C)(C)C)[C@@H]1CO[C@@]2(CCC[NH2+]2)C1 ZINC000536956066 330383187 /nfs/dbraw/zinc/38/31/87/330383187.db2.gz UGQWQANPCVMJPS-FZMZJTMJSA-N 1 0 270.373 2.112 10 0 CEAERO CCOC(=O)[C@]12CCO[C@@H]1CC[N@H+](Cc1ccccc1)C2 ZINC000536956974 330383421 /nfs/dbraw/zinc/38/34/21/330383421.db2.gz BDWBZNRNEVGYGS-WBVHZDCISA-N 1 0 289.375 2.231 10 0 CEAERO CC1CCN([C@@H]2C[NH2+]C[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000536961278 330384337 /nfs/dbraw/zinc/38/43/37/330384337.db2.gz YSCMBBGJKBYAOV-KGLIPLIRSA-N 1 0 282.428 2.038 10 0 CEAERO c1ccc(C[N@@H+]2C[C@@H]3CCN(c4cccnc4)C[C@@H]3C2)nc1 ZINC000253596179 333185697 /nfs/dbraw/zinc/18/56/97/333185697.db2.gz OEFKMRUZQSFEIH-HOTGVXAUSA-N 1 0 294.402 2.435 10 0 CEAERO C1CC1c1nnc([C@@]23COC[C@@H]2C[N@@H+](C2CCCC2)C3)o1 ZINC000253596424 333185808 /nfs/dbraw/zinc/18/58/08/333185808.db2.gz RATPSRRMVHEGRV-LRDDRELGSA-N 1 0 289.379 2.089 10 0 CEAERO CC(C)[NH2+]CCc1nnc(COc2ccccc2)o1 ZINC000050620218 519722896 /nfs/dbraw/zinc/72/28/96/519722896.db2.gz UABCCPQEPSQKNO-UHFFFAOYSA-N 1 0 261.325 2.189 10 0 CEAERO CC(C)[NH2+]C[C@@H]1CCCN(c2ccc(F)cn2)C1 ZINC000053702058 519723607 /nfs/dbraw/zinc/72/36/07/519723607.db2.gz REEHPNZIEKCANX-LBPRGKRZSA-N 1 0 251.349 2.435 10 0 CEAERO CC(C)[NH2+]Cc1ccoc1CN1CCOCC1(C)C ZINC000052546081 519727812 /nfs/dbraw/zinc/72/78/12/519727812.db2.gz WIKYKVIWWSWFFQ-UHFFFAOYSA-N 1 0 266.385 2.388 10 0 CEAERO CC(C)C[NH2+]CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000052702076 519743751 /nfs/dbraw/zinc/74/37/51/519743751.db2.gz ODMTVBJODBUWPO-UHFFFAOYSA-N 1 0 285.409 2.105 10 0 CEAERO CC(C)C[NH2+]C[C@@H](C(C)C)N(C)Cc1cnn(C)c1 ZINC000052570264 519744453 /nfs/dbraw/zinc/74/44/53/519744453.db2.gz QROOLXVBIOTVOI-HNNXBMFYSA-N 1 0 266.433 2.122 10 0 CEAERO CC(C)C[NH2+]C[C@H](C)CN1C[C@H](C)OC(C)(C)C1 ZINC000052543416 519745687 /nfs/dbraw/zinc/74/56/87/519745687.db2.gz WMHFTQZZHYKIIB-KBPBESRZSA-N 1 0 256.434 2.367 10 0 CEAERO CC(C)[C@@H]1CCC(=O)[C@@H](C[NH+]2CCC(O)CC2)C1 ZINC000054558830 519801827 /nfs/dbraw/zinc/80/18/27/519801827.db2.gz XWVBRSCMCZDRCT-CHWSQXEVSA-N 1 0 253.386 2.085 10 0 CEAERO CC(C)[C@@H]1CCC(=O)[C@H](C[N@@H+]2CCCC[C@@H]2CO)C1 ZINC000054559265 519801873 /nfs/dbraw/zinc/80/18/73/519801873.db2.gz XSTAXIMTAABNQG-QLFBSQMISA-N 1 0 267.413 2.475 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)NCc1cc2c(s1)CCC2 ZINC000061298233 519904919 /nfs/dbraw/zinc/90/49/19/519904919.db2.gz RQQGOBMFAFMPKG-UHFFFAOYSA-N 1 0 266.410 2.241 10 0 CEAERO CC[NH2+]C[C@@H]1CC[C@@H](CN(C)c2cccc(F)c2)O1 ZINC000052544558 519951522 /nfs/dbraw/zinc/95/15/22/519951522.db2.gz MUIUWICLHHTDCY-GJZGRUSLSA-N 1 0 266.360 2.419 10 0 CEAERO CCC[NH2+]Cc1ccnc(N(CC)CCOC)c1 ZINC000051487204 519959982 /nfs/dbraw/zinc/95/99/82/519959982.db2.gz UYZMXGTXJJDYNT-UHFFFAOYSA-N 1 0 251.374 2.054 10 0 CEAERO CC[NH2+]C[C@H](CCS(C)(=O)=O)Cc1ccccc1F ZINC000052979237 519972371 /nfs/dbraw/zinc/97/23/71/519972371.db2.gz QYDAFPDJNGVFKT-GFCCVEGCSA-N 1 0 287.400 2.029 10 0 CEAERO CCCN[C@@H](CC[N@H+](C)[C@@H](C)CC(C)C)C(=O)OC ZINC000062524256 519997261 /nfs/dbraw/zinc/99/72/61/519997261.db2.gz GWJHBMKJYOQPFF-KBPBESRZSA-N 1 0 272.433 2.284 10 0 CEAERO CCC[NH2+][C@@H](CN1CCC(OCC)CC1)C1CC1 ZINC000069074006 520009367 /nfs/dbraw/zinc/00/93/67/520009367.db2.gz XUPIDDQCTXOIFW-HNNXBMFYSA-N 1 0 254.418 2.266 10 0 CEAERO CC[NH2+]Cc1coc(CN2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000052540282 520018626 /nfs/dbraw/zinc/01/86/26/520018626.db2.gz BJVUOUOUSSGJIN-LSDHHAIUSA-N 1 0 264.369 2.142 10 0 CEAERO CC[NH2+]Cc1nnnn1-c1cccc(Cl)c1Cl ZINC000054744618 520025367 /nfs/dbraw/zinc/02/53/67/520025367.db2.gz QTPGWIYMVKFVKZ-UHFFFAOYSA-N 1 0 272.139 2.079 10 0 CEAERO CC[NH2+]Cc1sc(N(C)CCCOC)nc1C ZINC000062037815 520032696 /nfs/dbraw/zinc/03/26/96/520032696.db2.gz NNAHQHXBYBHZKM-UHFFFAOYSA-N 1 0 257.403 2.034 10 0 CEAERO CCOCC[C@@H](C[NH2+]C)Cc1ccccc1OC ZINC000052980159 520062709 /nfs/dbraw/zinc/06/27/09/520062709.db2.gz GYUBWJJFQKYRSI-CYBMUJFWSA-N 1 0 251.370 2.500 10 0 CEAERO CCC[NH2+][C@](C)(CCCCO[C@H](C)CC)C(N)=O ZINC000045545377 520105638 /nfs/dbraw/zinc/10/56/38/520105638.db2.gz AKLQOLKYOYPZIJ-TZMCWYRMSA-N 1 0 258.406 2.215 10 0 CEAERO CCCN[C@](C)(C[C@@H](C)[N@H+](C)[C@@H](C)CC(C)C)C(N)=O ZINC000068636760 520109433 /nfs/dbraw/zinc/10/94/33/520109433.db2.gz CZKHFRUFZMFISR-SQWLQELKSA-N 1 0 285.476 2.375 10 0 CEAERO CCC[NH2+][C@](C)(C[C@H](C)Oc1ccc(F)cc1)C(N)=O ZINC000068656487 520115631 /nfs/dbraw/zinc/11/56/31/520115631.db2.gz OUAADLNYSGIRGB-XHDPSFHLSA-N 1 0 282.359 2.227 10 0 CEAERO CCCN[C@](C[NH+](CCC)CCC)(C(=O)OC)C1CC1 ZINC000069095534 520119003 /nfs/dbraw/zinc/11/90/03/520119003.db2.gz AXDGXNCPUDFFMN-INIZCTEOSA-N 1 0 284.444 2.430 10 0 CEAERO CCN[C@@](C)(C[C@H](C)[N@H+](C)[C@@H]1CCCC[C@@H]1C)C(N)=O ZINC000068635787 520144659 /nfs/dbraw/zinc/14/46/59/520144659.db2.gz RQTQPYZGSQNCMA-AYDFFVQHSA-N 1 0 283.460 2.129 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1ccccc1[C@@H](C)O ZINC000061274206 520171494 /nfs/dbraw/zinc/17/14/94/520171494.db2.gz KGCDLLJXGXPMMG-GHMZBOCLSA-N 1 0 250.342 2.067 10 0 CEAERO CCCCC[N@H+](CC[C@H](NCC)C(=O)OC)C(C)C ZINC000062463285 520175349 /nfs/dbraw/zinc/17/53/49/520175349.db2.gz CXIKYUIPMZYKBH-AWEZNQCLSA-N 1 0 272.433 2.428 10 0 CEAERO CC[NH2+][C@H](C)Cc1nc2ccccc2n1CCOC ZINC000061182018 520176406 /nfs/dbraw/zinc/17/64/06/520176406.db2.gz MROSYQBIPCMPMZ-GFCCVEGCSA-N 1 0 261.369 2.223 10 0 CEAERO CC[NH2+][C@H](Cc1ccccc1OC)c1ccnn1C ZINC000069467565 520202739 /nfs/dbraw/zinc/20/27/39/520202739.db2.gz ISQBNNOIYACWAA-CYBMUJFWSA-N 1 0 259.353 2.322 10 0 CEAERO CC[NH2+][C@](CSCc1ccccc1)(C(N)=O)C1CC1 ZINC000069185902 520253186 /nfs/dbraw/zinc/25/31/86/520253186.db2.gz RBMKTYDRVFDZRE-HNNXBMFYSA-N 1 0 278.421 2.163 10 0 CEAERO CCO[C@H](C[NH3+])CCn1c(CC)nc2ccccc21 ZINC000062807377 520517938 /nfs/dbraw/zinc/51/79/38/520517938.db2.gz MHZDBSBFQBVQJQ-LBPRGKRZSA-N 1 0 261.369 2.353 10 0 CEAERO CCCC[C@H](C)NS(=O)(=O)c1ccc(CC[NH3+])cc1 ZINC000050890253 521151015 /nfs/dbraw/zinc/15/10/15/521151015.db2.gz LZWFNYRRJJSQHO-LBPRGKRZSA-N 1 0 284.425 2.045 10 0 CEAERO CCOC(=O)[C@@](C[NH+]1[C@@H](C)CCC[C@@H]1C)(NC)C1CC1 ZINC000069096139 521166147 /nfs/dbraw/zinc/16/61/47/521166147.db2.gz PXRBAFLYZROTOH-XEZPLFJOSA-N 1 0 282.428 2.181 10 0 CEAERO CCN(C[C@@H](C)C[NH3+])C(=O)CCc1ccc(C)cc1 ZINC000052945729 521199384 /nfs/dbraw/zinc/19/93/84/521199384.db2.gz QBRFXWWCAYTDCA-AWEZNQCLSA-N 1 0 262.397 2.371 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1c1ccc(F)cc1C=O ZINC000061644964 521874053 /nfs/dbraw/zinc/87/40/53/521874053.db2.gz SWGGUSFXJNMBQI-CYBMUJFWSA-N 1 0 250.317 2.169 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(F)cc1OCc1nonc1C ZINC000070261461 522333385 /nfs/dbraw/zinc/33/33/85/522333385.db2.gz BBOPRYYGAVYIMF-QMMMGPOBSA-N 1 0 265.288 2.377 10 0 CEAERO CC[C@H]([NH3+])[C@@](O)(c1ccc(N(C)C)cc1)C(F)(F)F ZINC000062784251 522341132 /nfs/dbraw/zinc/34/11/32/522341132.db2.gz LPAFITSTTOZGJU-RYUDHWBXSA-N 1 0 276.302 2.240 10 0 CEAERO CCc1nc(N(C)[C@H]2CCSC2)sc1C[NH3+] ZINC000054996977 522380984 /nfs/dbraw/zinc/38/09/84/522380984.db2.gz DLEFRUSRXALSDM-QMMMGPOBSA-N 1 0 257.428 2.106 10 0 CEAERO C[NH2+][C@H](C)c1cnc(N2CCC(OC)CC2)s1 ZINC000054903186 522454970 /nfs/dbraw/zinc/45/49/70/522454970.db2.gz GEKDRRKFRXPLHZ-SECBINFHSA-N 1 0 255.387 2.039 10 0 CEAERO C[C@@H](OCc1ccccc1)C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000404442560 533911295 /nfs/dbraw/zinc/91/12/95/533911295.db2.gz YLIILDZTZMGGNP-TZMCWYRMSA-N 1 0 278.396 2.081 10 0 CEAERO CCCCCCOC(=O)[C@@H]1COC[C@@H]1[NH2+]CCC ZINC000090529911 517553912 /nfs/dbraw/zinc/55/39/12/517553912.db2.gz VKCIRVIHQDMETG-OLZOCXBDSA-N 1 0 257.374 2.125 10 0 CEAERO C[C@H]1CN(C(=O)c2cccc(OC(F)(F)F)c2)C[C@@H]1[NH3+] ZINC000261796359 518184548 /nfs/dbraw/zinc/18/45/48/518184548.db2.gz QXLWTVRXNPNQLN-KWQFWETISA-N 1 0 288.269 2.004 10 0 CEAERO Cc1cc(C(=O)NCCCC[NH+]2CCCC2)ccc1N ZINC000082262632 518186577 /nfs/dbraw/zinc/18/65/77/518186577.db2.gz JZSWDDDXJHGJCT-UHFFFAOYSA-N 1 0 275.396 2.183 10 0 CEAERO CC(C)(C)[NH+]1CCN(c2nc3c(s2)[C@H](O)CCC3)CC1 ZINC000054928193 518713057 /nfs/dbraw/zinc/71/30/57/518713057.db2.gz NRFKPSFDWNWFID-GFCCVEGCSA-N 1 0 295.452 2.433 10 0 CEAERO CC(C)(C)[NH2+]CCCN1C(=O)C(=O)c2cc(F)cc(F)c21 ZINC000048785327 518754525 /nfs/dbraw/zinc/75/45/25/518754525.db2.gz RVMCFGVZJAWMTI-UHFFFAOYSA-N 1 0 296.317 2.272 10 0 CEAERO CC(C)(C)[NH2+]Cc1ccccc1N1CCS(=O)CC1 ZINC000062737421 518765809 /nfs/dbraw/zinc/76/58/09/518765809.db2.gz QSFVVIOAENRNBH-UHFFFAOYSA-N 1 0 280.437 2.143 10 0 CEAERO CC(C)(C)c1ncc(C(=O)N2CCC[C@H]([NH3+])C2)s1 ZINC000158567446 519108040 /nfs/dbraw/zinc/10/80/40/519108040.db2.gz LSCMLLUHUZJTTP-VIFPVBQESA-N 1 0 267.398 2.004 10 0 CEAERO CC(C)C[C@@H]1C[NH2+][C@@H](C(C)C)CN1Cc1ncccn1 ZINC000068703315 519274081 /nfs/dbraw/zinc/27/40/81/519274081.db2.gz FKZQDIZPGZIWNP-HUUCEWRRSA-N 1 0 276.428 2.321 10 0 CEAERO CC(C)C[C@H](C)OCC[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000045503676 519323464 /nfs/dbraw/zinc/32/34/64/519323464.db2.gz DEDCTSHSIVZONM-GXTWGEPZSA-N 1 0 258.406 2.070 10 0 CEAERO CC(C)C[C@H]([NH2+][C@H](C)Cc1ccco1)C(=O)N(C)C ZINC000062769977 519397377 /nfs/dbraw/zinc/39/73/77/519397377.db2.gz QBOBWBKMXUHFNF-OCCSQVGLSA-N 1 0 266.385 2.303 10 0 CEAERO CC(C)Cn1ccnc(NCC[NH+](C(C)C)C(C)C)c1=O ZINC000061762079 519519696 /nfs/dbraw/zinc/51/96/96/519519696.db2.gz LHIWPYWAIQDKQO-UHFFFAOYSA-N 1 0 294.443 2.430 10 0 CEAERO CC(C)CCC[NH2+]CCOc1cccc(S(C)(=O)=O)c1 ZINC000053589271 519641119 /nfs/dbraw/zinc/64/11/19/519641119.db2.gz CGSGVKGJMHUDLH-UHFFFAOYSA-N 1 0 299.436 2.495 10 0 CEAERO CC(C)N1CCO[C@H](C[NH3+])[C@@H]1c1c(F)cccc1F ZINC000070288668 519685734 /nfs/dbraw/zinc/68/57/34/519685734.db2.gz KOSWCIJPOBAPGY-TZMCWYRMSA-N 1 0 270.323 2.074 10 0 CEAERO CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(=O)[O-])cc2)C1 ZINC000050920940 519686637 /nfs/dbraw/zinc/68/66/37/519686637.db2.gz CWSLYLQEDQWOMV-AWEZNQCLSA-N 1 0 276.380 2.205 10 0 CEAERO CC(C)NC(=O)CCOc1cc(F)ccc1[C@@H](C)[NH3+] ZINC000062745472 519704200 /nfs/dbraw/zinc/70/42/00/519704200.db2.gz YOSLSNICEDSQNX-SNVBAGLBSA-N 1 0 268.332 2.139 10 0 CEAERO CC(=O)Nc1ccc(N2[C@@H]3CCC[C@H]2CC([NH3+])C3)cc1 ZINC000054601555 519721205 /nfs/dbraw/zinc/72/12/05/519721205.db2.gz XAIAVAZSDNDSTD-SFESLNEESA-N 1 0 273.380 2.494 10 0 CEAERO CC(C)[NH2+]C[C@H](C)Cn1cc(Br)cn1 ZINC000052577689 519724902 /nfs/dbraw/zinc/72/49/02/519724902.db2.gz XTOQXJKODXAEEB-VIFPVBQESA-N 1 0 260.179 2.280 10 0 CEAERO CC(C)[NH2+]C[C@H]1CCN(c2cnn(C(C)C)c2)C1 ZINC000061683448 519725192 /nfs/dbraw/zinc/72/51/92/519725192.db2.gz UWVJSUVUZNFXQL-CYBMUJFWSA-N 1 0 250.390 2.288 10 0 CEAERO CC(C)[NH2+]Cc1ccccc1OC[C@H](O)C(F)(F)F ZINC000068875953 519728037 /nfs/dbraw/zinc/72/80/37/519728037.db2.gz VCKOVAZQKDIURW-LBPRGKRZSA-N 1 0 277.286 2.487 10 0 CEAERO CC(C)C[NH+]1CCN(c2cc(F)ccc2N)CC1 ZINC000055085644 519728315 /nfs/dbraw/zinc/72/83/15/519728315.db2.gz CRVPRNYGXJUTPN-UHFFFAOYSA-N 1 0 251.349 2.186 10 0 CEAERO CC(C)C[NH+]1CCN(c2ccc(N)cc2F)CC1 ZINC000055085593 519729147 /nfs/dbraw/zinc/72/91/47/519729147.db2.gz MPNJGVLITXVUOB-UHFFFAOYSA-N 1 0 251.349 2.186 10 0 CEAERO CC(=O)Nc1ccc([C@@H](O)[C@H]([NH3+])CC(C)C)cc1 ZINC000054929540 519733380 /nfs/dbraw/zinc/73/33/80/519733380.db2.gz JACBETFJQKZQRH-ZIAGYGMSSA-N 1 0 250.342 2.052 10 0 CEAERO CC(=O)Nc1ccc([C@H](O)[C@H]([NH3+])Cc2ccccc2)cc1 ZINC000054686135 519734556 /nfs/dbraw/zinc/73/45/56/519734556.db2.gz CUOPHOSRJHFRES-SJORKVTESA-N 1 0 284.359 2.248 10 0 CEAERO CC(C)[NH2+][C@@H](CCO[C@H]1C[C@@H](C)CC(C)(C)C1)C(N)=O ZINC000062542911 519734747 /nfs/dbraw/zinc/73/47/47/519734747.db2.gz AKYWCKCAYFAPIT-RDBSUJKOSA-N 1 0 284.444 2.460 10 0 CEAERO CC(C)[NH2+][C@@](C)(C[C@H](C)Oc1ccccc1F)C(N)=O ZINC000068655864 519737140 /nfs/dbraw/zinc/73/71/40/519737140.db2.gz FOXXLFDRVGCZKX-NHYWBVRUSA-N 1 0 282.359 2.225 10 0 CEAERO CC(C)C[NH2+]CCCn1cc(Br)ccc1=O ZINC000053523116 519744163 /nfs/dbraw/zinc/74/41/63/519744163.db2.gz GGXLKSQVKYVXGY-UHFFFAOYSA-N 1 0 287.201 2.247 10 0 CEAERO CC(C)C[NH2+]C[C@H](c1ccccc1)N1CCS(=O)CC1 ZINC000052516544 519746179 /nfs/dbraw/zinc/74/61/79/519746179.db2.gz HGSKVDSAOBTGQK-MRXNPFEDSA-N 1 0 294.464 2.038 10 0 CEAERO CC(C)C[NH2+]C[C@H]1CC[C@@H](COCC(F)(F)F)O1 ZINC000052601668 519746446 /nfs/dbraw/zinc/74/64/46/519746446.db2.gz HXVHTKCJFNLTHF-MNOVXSKESA-N 1 0 269.307 2.359 10 0 CEAERO CC(C)C[NH2+]Cc1cc2ccccc2nc1N(C)CCO ZINC000062736417 519747235 /nfs/dbraw/zinc/74/72/35/519747235.db2.gz RXUOOPYBYLFHEZ-UHFFFAOYSA-N 1 0 287.407 2.409 10 0 CEAERO CC(C)C[NH2+]Cc1nnnn1[C@@H]1CCCc2ccccc21 ZINC000054746429 519748753 /nfs/dbraw/zinc/74/87/53/519748753.db2.gz OQMMNOGKCGRHGT-OAHLLOKOSA-N 1 0 285.395 2.344 10 0 CEAERO CC(C)C[NH2+]Cc1nnnn1C1(C)CCCCC1 ZINC000054747629 519748999 /nfs/dbraw/zinc/74/89/99/519748999.db2.gz RWABTMYLDFQITL-UHFFFAOYSA-N 1 0 251.378 2.098 10 0 CEAERO CC(C)COC[C@@H]([NH2+]CC(C)(C)O)c1ccco1 ZINC000184153809 519755311 /nfs/dbraw/zinc/75/53/11/519755311.db2.gz CKMYLLZFCUPJCF-GFCCVEGCSA-N 1 0 255.358 2.354 10 0 CEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(N)cn1C(C)C ZINC000049550986 519775584 /nfs/dbraw/zinc/77/55/84/519775584.db2.gz LBDXFMZVVWZLAJ-AWEZNQCLSA-N 1 0 294.443 2.357 10 0 CEAERO CC(C)C[C@@H](C[NH+](C)C)Nc1ccc(N)c2nonc21 ZINC000049555037 519775940 /nfs/dbraw/zinc/77/59/40/519775940.db2.gz GWOXFBDKDRJWNV-JTQLQIEISA-N 1 0 277.372 2.193 10 0 CEAERO CC(C)Oc1cccc([C@@H](C[NH3+])N2CCCOCC2)c1 ZINC000061916502 519783586 /nfs/dbraw/zinc/78/35/86/519783586.db2.gz LQDLUVWGVXNCNK-MRXNPFEDSA-N 1 0 278.396 2.196 10 0 CEAERO CC(C)Oc1ncccc1NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000070255498 519786170 /nfs/dbraw/zinc/78/61/70/519786170.db2.gz QPGDOOUFLQQYRK-GFCCVEGCSA-N 1 0 289.379 2.197 10 0 CEAERO CC(C)[C@@H]1CC[C@H]([NH3+])[C@H](N2C[C@@H](C)OC[C@H]2C)C1 ZINC000054555002 519803343 /nfs/dbraw/zinc/80/33/43/519803343.db2.gz NJESYGWAKCCXFN-ARILJUKYSA-N 1 0 254.418 2.248 10 0 CEAERO CC(C)[C@@]1(C)CC(=O)N(Cc2ccc(CC[NH3+])cc2)C1=O ZINC000052899519 519808534 /nfs/dbraw/zinc/80/85/34/519808534.db2.gz GUUALHHVVKVQAT-QGZVFWFLSA-N 1 0 288.391 2.109 10 0 CEAERO CC(C)[C@H](C)[NH2+]CCSc1nnc2ccccn21 ZINC000061408822 519813040 /nfs/dbraw/zinc/81/30/40/519813040.db2.gz LVFHZAYQCSITSZ-NSHDSACASA-N 1 0 264.398 2.456 10 0 CEAERO CCC[NH+]1CCC(Nc2ccc(N)c(C(=O)OC)c2)CC1 ZINC000049561983 519847379 /nfs/dbraw/zinc/84/73/79/519847379.db2.gz JKTCMPBYHSMKTA-UHFFFAOYSA-N 1 0 291.395 2.342 10 0 CEAERO CCC1(c2nc(-c3ccc(O)cc3)no2)CC[NH2+]CC1 ZINC000062845597 519847716 /nfs/dbraw/zinc/84/77/16/519847716.db2.gz MREMHXRJCYQILS-UHFFFAOYSA-N 1 0 273.336 2.473 10 0 CEAERO CCCNC(=O)N1CC[N@H+](CCc2ccccc2)[C@@H](C)C1 ZINC000062691199 519883677 /nfs/dbraw/zinc/88/36/77/519883677.db2.gz SHJLBPNHGGHUQQ-HNNXBMFYSA-N 1 0 289.423 2.355 10 0 CEAERO CCCC1(C(=O)N(C)Cc2ccco2)CC[NH2+]CC1 ZINC000062848184 519887246 /nfs/dbraw/zinc/88/72/46/519887246.db2.gz LUHIQUBQHFGVFC-UHFFFAOYSA-N 1 0 264.369 2.408 10 0 CEAERO CCOCCC[NH2+]C[C@@H](C)N1CCOc2ccccc2C1 ZINC000063013820 519896568 /nfs/dbraw/zinc/89/65/68/519896568.db2.gz HWKOEOQQVVKUMW-OAHLLOKOSA-N 1 0 292.423 2.286 10 0 CEAERO CCCC1CC[NH+](CC[C@H](NC(C)C)C(=O)OC)CC1 ZINC000062531169 519901481 /nfs/dbraw/zinc/90/14/81/519901481.db2.gz KWLFWKRMXWNTPH-HNNXBMFYSA-N 1 0 284.444 2.428 10 0 CEAERO CCCC1CCN(S(=O)(=O)CCC[NH2+]C(C)C)CC1 ZINC000050906733 519902864 /nfs/dbraw/zinc/90/28/64/519902864.db2.gz JTWCGAMZKNCOFL-UHFFFAOYSA-N 1 0 290.473 2.216 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N[C@H](C)c1ccccc1OC ZINC000061298778 519906058 /nfs/dbraw/zinc/90/60/58/519906058.db2.gz OEGJTYXTBKFWIY-LLVKDONJSA-N 1 0 264.369 2.261 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1ccc2c(c1)NC(=O)CS2 ZINC000061292199 519907590 /nfs/dbraw/zinc/90/75/90/519907590.db2.gz WYOXQZJBPVMCCN-UHFFFAOYSA-N 1 0 293.392 2.057 10 0 CEAERO CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2[C@@H](C)C(=O)OCC ZINC000054602662 519907764 /nfs/dbraw/zinc/90/77/64/519907764.db2.gz BIIVEYZESPHUBN-AVOUXACISA-N 1 0 282.428 2.323 10 0 CEAERO CC[NH2+]C(C)(C)CN1CCN(c2ccccc2)CC1 ZINC000061299604 519908309 /nfs/dbraw/zinc/90/83/09/519908309.db2.gz IIZMMXLAEXESPE-UHFFFAOYSA-N 1 0 261.413 2.197 10 0 CEAERO CC[NH2+]CC1(CCOCC(F)(F)F)CCOCC1 ZINC000061674164 519911758 /nfs/dbraw/zinc/91/17/58/519911758.db2.gz JYPFLJLKBVALLT-UHFFFAOYSA-N 1 0 269.307 2.362 10 0 CEAERO CC[NH2+]CC1(CN(C)Cc2ccoc2C)CCOCC1 ZINC000052197873 519911972 /nfs/dbraw/zinc/91/19/72/519911972.db2.gz CFUVMMOSCNJEQY-UHFFFAOYSA-N 1 0 280.412 2.426 10 0 CEAERO CC[NH2+]CCC(=O)N(C)[C@@H](C)c1ccccc1F ZINC000061294879 519915292 /nfs/dbraw/zinc/91/52/92/519915292.db2.gz XWBFVFWYYDRRCM-NSHDSACASA-N 1 0 252.333 2.345 10 0 CEAERO CCC[NH2+]CCOc1cncc(Br)c1 ZINC000070043874 519918819 /nfs/dbraw/zinc/91/88/19/519918819.db2.gz GYULCCCJVDTSQX-UHFFFAOYSA-N 1 0 259.147 2.223 10 0 CEAERO CCC[NH2+]CCc1c(C)nc(N2CCCC2)nc1C ZINC000054853769 519919256 /nfs/dbraw/zinc/91/92/56/519919256.db2.gz ABGGVRREQVRLLF-UHFFFAOYSA-N 1 0 262.401 2.236 10 0 CEAERO CC(C)n1c(S[C@@H](c2cccs2)[C@@H](C)[NH3+])n[nH]c1=O ZINC000061595133 519923592 /nfs/dbraw/zinc/92/35/92/519923592.db2.gz LKXDOWGAXBNKRZ-PSASIEDQSA-N 1 0 298.437 2.394 10 0 CEAERO CC(C)n1c(S[C@@H](C[NH3+])c2cccc(F)c2)n[nH]c1=O ZINC000061595117 519923792 /nfs/dbraw/zinc/92/37/92/519923792.db2.gz SPDFKNKQVXUHFM-NSHDSACASA-N 1 0 296.371 2.084 10 0 CEAERO CC(C)n1c(S[C@H]([C@@H](C)[NH3+])C(C)(C)C)n[nH]c1=O ZINC000061595214 519923860 /nfs/dbraw/zinc/92/38/60/519923860.db2.gz UVKWJGXPQDPVLR-RKDXNWHRSA-N 1 0 272.418 2.006 10 0 CEAERO CC(C)n1c(S[C@@H](C[NH3+])c2ccsc2)n[nH]c1=O ZINC000061595071 519924059 /nfs/dbraw/zinc/92/40/59/519924059.db2.gz CCDAQRJQACERPA-VIFPVBQESA-N 1 0 284.410 2.006 10 0 CEAERO CC[NH2+]CCc1nnc(-c2cc(F)cc(F)c2)o1 ZINC000050619730 519930029 /nfs/dbraw/zinc/93/00/29/519930029.db2.gz NXKGFTYVRWXWDF-UHFFFAOYSA-N 1 0 253.252 2.167 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N(C)Cc1ccc(OC)c(F)c1 ZINC000061234454 519932096 /nfs/dbraw/zinc/93/20/96/519932096.db2.gz BFFRUGGSMRDXLD-LLVKDONJSA-N 1 0 282.359 2.038 10 0 CEAERO CCC[NH2+]C[C@H](OCCOC)c1ccc(OC)cc1 ZINC000050495542 519933447 /nfs/dbraw/zinc/93/34/47/519933447.db2.gz GINPMOVQGPLCNM-HNNXBMFYSA-N 1 0 267.369 2.399 10 0 CEAERO CCC[NH2+]C[C@H]1OCCN(C)[C@@H]1c1c(F)cccc1F ZINC000070286074 519940288 /nfs/dbraw/zinc/94/02/88/519940288.db2.gz AWXACFGGUHEPQN-HIFRSBDPSA-N 1 0 284.350 2.336 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccc(NC(=O)CC)cc1 ZINC000061232728 519940302 /nfs/dbraw/zinc/94/03/02/519940302.db2.gz WULFBKDOXDUVLM-LLVKDONJSA-N 1 0 277.368 2.219 10 0 CEAERO CC[NH2+]C[C@@H](CC)[C@H]1CS(=O)(=O)c2ccccc21 ZINC000052973179 519944921 /nfs/dbraw/zinc/94/49/21/519944921.db2.gz IIDPMYCBMITINQ-DGCLKSJQSA-N 1 0 267.394 2.193 10 0 CEAERO CC[NH2+]C[C@@H](Cc1nnnn1-c1ccccc1)C(C)C ZINC000052971766 519946531 /nfs/dbraw/zinc/94/65/31/519946531.db2.gz XPGWBWRNMAAFIM-CYBMUJFWSA-N 1 0 273.384 2.087 10 0 CEAERO CC[NH2+]C[C@@H](OCCOCC)c1ccccc1OC ZINC000050489732 519948153 /nfs/dbraw/zinc/94/81/53/519948153.db2.gz IIFJXGXFQSBDQK-OAHLLOKOSA-N 1 0 267.369 2.399 10 0 CEAERO CC[NH2+]C[C@@H](c1ccccc1)N(C)C1CCOCC1 ZINC000052481293 519949097 /nfs/dbraw/zinc/94/90/97/519949097.db2.gz UMFMGIUEOCIHCI-INIZCTEOSA-N 1 0 262.397 2.448 10 0 CEAERO CCC[NH2+]Cc1ccc(CN2CCO[C@@H](C)C2)cc1 ZINC000052382659 519950675 /nfs/dbraw/zinc/95/06/75/519950675.db2.gz IMYNGRKMIRCTNB-AWEZNQCLSA-N 1 0 262.397 2.407 10 0 CEAERO CC[NH2+]C[C@@H]1CC[C@H](CN(CC)CC(F)(F)F)O1 ZINC000052503160 519953165 /nfs/dbraw/zinc/95/31/65/519953165.db2.gz IQBOMBNNVCTUJO-WDEREUQCSA-N 1 0 268.323 2.028 10 0 CEAERO CC[NH2+]C[C@@H]1OCCN(C)[C@@H]1c1cccc(OC(C)C)c1 ZINC000070285443 519956266 /nfs/dbraw/zinc/95/62/66/519956266.db2.gz MHQIQXIQESYPKT-DLBZAZTESA-N 1 0 292.423 2.455 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N(CC)Cc1ccc(OC)cc1 ZINC000061236851 519958978 /nfs/dbraw/zinc/95/89/78/519958978.db2.gz CUJQHBRTZABUSQ-ZDUSSCGKSA-N 1 0 278.396 2.289 10 0 CEAERO CCC[NH2+]Cc1ccnc(N2CCOC[C@@H]2CC)c1 ZINC000051446876 519959831 /nfs/dbraw/zinc/95/98/31/519959831.db2.gz WQGJWMQSCBYLOF-AWEZNQCLSA-N 1 0 263.385 2.196 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N[C@@H](C)c1cc(F)ccc1F ZINC000061230849 519963004 /nfs/dbraw/zinc/96/30/04/519963004.db2.gz QNHMOZCUWDCJGN-UWVGGRQHSA-N 1 0 270.323 2.388 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N[C@@H](C)c1cc(C)ccc1OC ZINC000061231388 519963301 /nfs/dbraw/zinc/96/33/01/519963301.db2.gz IYAPFQVXIWDLDR-STQMWFEESA-N 1 0 278.396 2.426 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccc(C)cc1OCCOC ZINC000061234814 519967018 /nfs/dbraw/zinc/96/70/18/519967018.db2.gz HODIOWAAVWYMLZ-ZDUSSCGKSA-N 1 0 294.395 2.204 10 0 CEAERO CCC[NH2+]Cc1nnc(-c2ccc3c(c2)CCO3)o1 ZINC000050892701 519967516 /nfs/dbraw/zinc/96/75/16/519967516.db2.gz KCFBYUNTMMTPGJ-UHFFFAOYSA-N 1 0 259.309 2.171 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1cccc(Cn2cccn2)c1 ZINC000061230584 519968233 /nfs/dbraw/zinc/96/82/33/519968233.db2.gz RLBXHFGQEPNRPO-ZDUSSCGKSA-N 1 0 286.379 2.116 10 0 CEAERO CCC[NH2+]Cc1nnnn1-c1cc(C)c(Cl)cc1OC ZINC000054745010 519969382 /nfs/dbraw/zinc/96/93/82/519969382.db2.gz PZPAHRFRABVZFW-UHFFFAOYSA-N 1 0 295.774 2.132 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1sccc1C(=O)OCC ZINC000061267378 519969473 /nfs/dbraw/zinc/96/94/73/519969473.db2.gz GAGKMGJSRUAAAP-VIFPVBQESA-N 1 0 284.381 2.109 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1nc2c(s1)CCCC2 ZINC000061267802 519969480 /nfs/dbraw/zinc/96/94/80/519969480.db2.gz POYPWYXMBUYFQA-VIFPVBQESA-N 1 0 267.398 2.206 10 0 CEAERO CCC[NH2+]Cc1occc1CN1C[C@@H](C)OC[C@@H]1C ZINC000052476456 519973031 /nfs/dbraw/zinc/97/30/31/519973031.db2.gz TUCBKWAMNHTDPI-QWHCGFSZSA-N 1 0 266.385 2.388 10 0 CEAERO 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SDDCPOWTKMQXEA-KRWDZBQOSA-N 1 0 290.407 2.316 10 0 CEAERO CC[NH2+][C@@](C)(CCCCn1ncc2ccccc21)C(N)=O ZINC000050528493 520131070 /nfs/dbraw/zinc/13/10/70/520131070.db2.gz FWGPEMYUPUNNKT-INIZCTEOSA-N 1 0 288.395 2.060 10 0 CEAERO CCN[C@@](C)(CC[N@@H+]1CCCC(C)(C)C1)C(=O)OCC ZINC000069516399 520132968 /nfs/dbraw/zinc/13/29/68/520132968.db2.gz QHSKEFCDOXYRDW-INIZCTEOSA-N 1 0 284.444 2.430 10 0 CEAERO CCCCC[N@H+](C)C[C@](NCC)(C(=O)OC)C1CC1 ZINC000069098478 520152393 /nfs/dbraw/zinc/15/23/93/520152393.db2.gz QWIQUQKGQNFVQN-OAHLLOKOSA-N 1 0 270.417 2.040 10 0 CEAERO CC[NH2+][C@@](COc1c(C)cc(C)cc1C)(C(N)=O)C1CC1 ZINC000069194549 520156527 /nfs/dbraw/zinc/15/65/27/520156527.db2.gz ZLQFERPJRSKSKZ-QGZVFWFLSA-N 1 0 290.407 2.234 10 0 CEAERO CC[NH2+][C@@](CSC1CCCCC1)(C(N)=O)C1CC1 ZINC000069188460 520158979 /nfs/dbraw/zinc/15/89/79/520158979.db2.gz RKXWFKKDPNSIGK-CQSZACIVSA-N 1 0 270.442 2.296 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000061270913 520168713 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520196572 /nfs/dbraw/zinc/19/65/72/520196572.db2.gz JBHUUHLXZUILGY-CYBMUJFWSA-N 1 0 287.363 2.451 10 0 CEAERO CC[NH2+][C@H](c1ccc2c(c1)NC(=O)CO2)[C@H]1CCCCO1 ZINC000050962258 520210522 /nfs/dbraw/zinc/21/05/22/520210522.db2.gz CPTJJHCBMRGFEQ-GDBMZVCRSA-N 1 0 290.363 2.237 10 0 CEAERO CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1N(C)CCOC ZINC000054555356 520217533 /nfs/dbraw/zinc/21/75/33/520217533.db2.gz WIODYYJSBSQOGI-ILXRZTDVSA-N 1 0 256.434 2.367 10 0 CEAERO CCCOC(=O)c1ccc(NC(=O)CC[NH2+]CC)cc1 ZINC000061298761 520224405 /nfs/dbraw/zinc/22/44/05/520224405.db2.gz FOANKUPWBKYHRI-UHFFFAOYSA-N 1 0 278.352 2.192 10 0 CEAERO CCN[C@](C)(C[C@H](C)[NH+]1CCC(C)CC1)C(=O)OCC ZINC000068618625 520240680 /nfs/dbraw/zinc/24/06/80/520240680.db2.gz MCQKYVMZSRXWAG-GOEBONIOSA-N 1 0 284.444 2.428 10 0 CEAERO CCN[C@](C[N@H+](C)CC1CCCC1)(C(=O)OCC)C1CC1 ZINC000069233271 520242478 /nfs/dbraw/zinc/24/24/78/520242478.db2.gz GVCHKOXHVOEQSZ-KRWDZBQOSA-N 1 0 296.455 2.430 10 0 CEAERO CC[NH2+][C@](CSc1ccccc1F)(C(N)=O)C1CC1 ZINC000069186326 520252753 /nfs/dbraw/zinc/25/27/53/520252753.db2.gz COHLKQGOZCSMTK-AWEZNQCLSA-N 1 0 282.384 2.161 10 0 CEAERO CCNc1ccc(C(=O)N2CCC[C@H]2C[NH+](C)C)cc1 ZINC000061656056 520283030 /nfs/dbraw/zinc/28/30/30/520283030.db2.gz GRHLPKZBVBQISF-HNNXBMFYSA-N 1 0 275.396 2.285 10 0 CEAERO CCNc1ccccc1C(=O)N[C@H](C[NH+](C)C)C(C)C ZINC000050779764 520339919 /nfs/dbraw/zinc/33/99/19/520339919.db2.gz CMPFOIAESJHFEC-OAHLLOKOSA-N 1 0 277.412 2.434 10 0 CEAERO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@@H](C)C2CCCC2)C1(C)C ZINC000157293939 520393149 /nfs/dbraw/zinc/39/31/49/520393149.db2.gz LHLLRKHGPSPVAB-NORZTCDRSA-N 1 0 282.428 2.214 10 0 CEAERO CCN(CC(F)(F)F)[C@@H](C)C[NH2+]C[C@@H]1CCCO1 ZINC000053494525 520420528 /nfs/dbraw/zinc/42/05/28/520420528.db2.gz IFDJVFCRLPZZHH-QWRGUYRKSA-N 1 0 268.323 2.028 10 0 CEAERO CCCOc1ccccc1OC[C@@H]1CC[C@H](C[NH3+])O1 ZINC000052649943 520483790 /nfs/dbraw/zinc/48/37/90/520483790.db2.gz IUKJFZOCABNQPL-OLZOCXBDSA-N 1 0 265.353 2.361 10 0 CEAERO CCO[C@H](C[NH3+])CCn1ccnc1-c1ccccc1 ZINC000062741441 520518146 /nfs/dbraw/zinc/51/81/46/520518146.db2.gz KNWLPZQJGMPEQS-AWEZNQCLSA-N 1 0 259.353 2.304 10 0 CEAERO CCO[C@H](C[NH3+])COc1c(F)c(F)c(F)c(F)c1F ZINC000062740459 520518558 /nfs/dbraw/zinc/51/85/58/520518558.db2.gz YTUHYXONLWZEDE-RXMQYKEDSA-N 1 0 285.212 2.125 10 0 CEAERO CCO[C@H]1CCCN(C(=O)CCC2CCC([NH3+])CC2)C1 ZINC000055142001 520524967 /nfs/dbraw/zinc/52/49/67/520524967.db2.gz LBTVJNKMJPUDBG-NRXISQOPSA-N 1 0 282.428 2.312 10 0 CEAERO CCCC[N@H+](Cc1ccnc(C(N)=S)c1)C1CC1 ZINC000068752291 520549615 /nfs/dbraw/zinc/54/96/15/520549615.db2.gz WOPNSNQOCSRLJR-UHFFFAOYSA-N 1 0 263.410 2.480 10 0 CEAERO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(NC)ccn1 ZINC000050721473 520635154 /nfs/dbraw/zinc/63/51/54/520635154.db2.gz CMYBZFREBQBRDQ-ZDUSSCGKSA-N 1 0 292.427 2.364 10 0 CEAERO CCOc1cc(C(N)=[NH2+])ccc1OCCc1ccncc1 ZINC000048785948 520654666 /nfs/dbraw/zinc/65/46/66/520654666.db2.gz KBGBENQOMMDUMU-UHFFFAOYSA-N 1 0 285.347 2.386 10 0 CEAERO CCOC(=O)CCC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000070248045 520659110 /nfs/dbraw/zinc/65/91/10/520659110.db2.gz IVQSOKPQTUWUAP-OAHLLOKOSA-N 1 0 261.365 2.477 10 0 CEAERO CCN(CC)CC[NH2+]CCn1nc(C)c(Cl)c1C ZINC000053536534 520686849 /nfs/dbraw/zinc/68/68/49/520686849.db2.gz GPTKAICUDIDXHY-UHFFFAOYSA-N 1 0 272.824 2.085 10 0 CEAERO CCOC(=O)CC[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000062708696 520687086 /nfs/dbraw/zinc/68/70/86/520687086.db2.gz KMGULDBSQGSAJV-UHFFFAOYSA-N 1 0 261.243 2.147 10 0 CEAERO CCC[C@@H](COc1c(OC)cccc1OC)[NH2+]C ZINC000050186321 520710457 /nfs/dbraw/zinc/71/04/57/520710457.db2.gz BBORZEZAKYMCIW-NSHDSACASA-N 1 0 253.342 2.471 10 0 CEAERO CCOC(=O)CC[C@H]([NH3+])Cc1c(F)cccc1F ZINC000069605557 520713303 /nfs/dbraw/zinc/71/33/03/520713303.db2.gz WILCUYSARGWANG-VIFPVBQESA-N 1 0 257.280 2.178 10 0 CEAERO CCCCOC(=O)COc1cccc2c1CC[C@H]2[NH3+] ZINC000062798255 520713549 /nfs/dbraw/zinc/71/35/49/520713549.db2.gz RHDBMGJZAZTGTF-CYBMUJFWSA-N 1 0 263.337 2.355 10 0 CEAERO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc(Cl)ccc1NN ZINC000051117121 520717791 /nfs/dbraw/zinc/71/77/91/520717791.db2.gz XTRGEOUTCLKNOJ-SNVBAGLBSA-N 1 0 298.818 2.086 10 0 CEAERO CCOC(=O)COc1ccc(OC)cc1C[NH2+]CC(C)C ZINC000062727648 520803322 /nfs/dbraw/zinc/80/33/22/520803322.db2.gz XAGRXCWMRFEATI-UHFFFAOYSA-N 1 0 295.379 2.383 10 0 CEAERO CCC[C@@H]1CN(Cc2ncccn2)[C@H](C(C)(C)C)C[NH2+]1 ZINC000068701207 520840513 /nfs/dbraw/zinc/84/05/13/520840513.db2.gz QSISDJQVFPHUPJ-KGLIPLIRSA-N 1 0 276.428 2.465 10 0 CEAERO CCC[C@@H]1CN(Cc2cnn(C)c2)C2(CCCC2)C[NH2+]1 ZINC000068702334 520841350 /nfs/dbraw/zinc/84/13/50/520841350.db2.gz RSWYPYDHIMHUQZ-OAHLLOKOSA-N 1 0 276.428 2.307 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@H](C)CN1Cc1cn2ccccc2n1 ZINC000068697591 520842676 /nfs/dbraw/zinc/84/26/76/520842676.db2.gz VGMVVZSTSORQFG-DZGCQCFKSA-N 1 0 272.396 2.297 10 0 CEAERO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cccc(F)c2NC)C1 ZINC000062984882 520845367 /nfs/dbraw/zinc/84/53/67/520845367.db2.gz CAAJZHLUAZURME-GFCCVEGCSA-N 1 0 293.386 2.424 10 0 CEAERO CC[NH+](CC)[C@H]1CCN(c2ccc(N)c(OC(C)C)n2)C1 ZINC000062975866 520876222 /nfs/dbraw/zinc/87/62/22/520876222.db2.gz PSGJZEQJTCBQDG-ZDUSSCGKSA-N 1 0 292.427 2.372 10 0 CEAERO CCC[C@@]1(C(=O)Nc2cnn(CC)c2)CCC[NH2+]C1 ZINC000062853895 520944616 /nfs/dbraw/zinc/94/46/16/520944616.db2.gz NPTJUSXORTUZLU-CQSZACIVSA-N 1 0 264.373 2.011 10 0 CEAERO CC1CCC(NC(=O)[C@@H]2CCC[C@H]([NH3+])[C@@H]2C)CC1 ZINC000055124477 520949880 /nfs/dbraw/zinc/94/98/80/520949880.db2.gz ZVQKSEBURQGRTH-ZFKITPQFSA-N 1 0 252.402 2.445 10 0 CEAERO CC1CCC(NC(=O)[C@@H]2CC[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000055124522 520950609 /nfs/dbraw/zinc/95/06/09/520950609.db2.gz QMZMULNFRWGZMW-BMYFTYEUSA-N 1 0 252.402 2.445 10 0 CEAERO CCOC(=O)N1CC[N@H+](CCc2ccccc2)[C@@H](C)C1 ZINC000062691167 520953592 /nfs/dbraw/zinc/95/35/92/520953592.db2.gz OTKCGDPIOLGIEX-AWEZNQCLSA-N 1 0 276.380 2.392 10 0 CEAERO CC[N@H+](CC1CC1)[C@@H](CN)c1ccc(OC)c(OC)c1 ZINC000069237572 520967202 /nfs/dbraw/zinc/96/72/02/520967202.db2.gz IQGNCYFWBKZFHI-AWEZNQCLSA-N 1 0 278.396 2.436 10 0 CEAERO CC[N@H+](CCCC[C@](C)(NC)C(=O)OC)CC1CC1 ZINC000069239453 521004899 /nfs/dbraw/zinc/00/48/99/521004899.db2.gz HQWKKPGVAVQVTK-HNNXBMFYSA-N 1 0 270.417 2.040 10 0 CEAERO CCN(CCC[NH3+])C(=O)[C@H]1CCCc2ccccc21 ZINC000054668333 521010494 /nfs/dbraw/zinc/01/04/94/521010494.db2.gz ZMFDEINUKWAUBB-HNNXBMFYSA-N 1 0 260.381 2.304 10 0 CEAERO CC1CCN(Cc2[nH+]c(NN)ccc2Cl)CC1 ZINC000061638901 521025673 /nfs/dbraw/zinc/02/56/73/521025673.db2.gz AOIUMGZROMDGCX-UHFFFAOYSA-N 1 0 254.765 2.253 10 0 CEAERO CCCC[C@@H](CC)COC[C@H](O)C[NH2+]C[C@@H](C)COC ZINC000045695757 521038292 /nfs/dbraw/zinc/03/82/92/521038292.db2.gz RELDJLAQGRTNJK-BZUAXINKSA-N 1 0 289.460 2.452 10 0 CEAERO CCOC(=O)[C@@H](CC[NH+]1CCCCCCC1)NC1CC1 ZINC000062438746 521057148 /nfs/dbraw/zinc/05/71/48/521057148.db2.gz VBTSPQXVNSSKKZ-OAHLLOKOSA-N 1 0 282.428 2.326 10 0 CEAERO CCN(CC[NH2+]CCCOC)c1ccccc1C ZINC000053345491 521076208 /nfs/dbraw/zinc/07/62/08/521076208.db2.gz LGDNJHJBTBGYLG-UHFFFAOYSA-N 1 0 250.386 2.447 10 0 CEAERO CCN(CC[NH2+]C[C@@H]1CCOC1)Cc1cccs1 ZINC000053438778 521078235 /nfs/dbraw/zinc/07/82/35/521078235.db2.gz JJXIUQBXNVLAEX-ZDUSSCGKSA-N 1 0 268.426 2.196 10 0 CEAERO CCN(CC[NH2+]C[C@H]1CCOC1)c1ccccc1F ZINC000053426062 521078409 /nfs/dbraw/zinc/07/84/09/521078409.db2.gz MEBBIVNRTDIIHE-CYBMUJFWSA-N 1 0 266.360 2.278 10 0 CEAERO CCC[C@H]([NH3+])C(=O)NCC1(c2ccccc2C)CC1 ZINC000157955963 521111141 /nfs/dbraw/zinc/11/11/41/521111141.db2.gz OQDQXCOPEDWSLN-AWEZNQCLSA-N 1 0 260.381 2.270 10 0 CEAERO CCCC[C@@](CC)(C(=O)OCC)N1CCC[NH2+]CC1 ZINC000069381850 521121178 /nfs/dbraw/zinc/12/11/78/521121178.db2.gz UZJLNHNAKWHTPL-HNNXBMFYSA-N 1 0 270.417 2.184 10 0 CEAERO CCOC(=O)[C@@](C)([NH3+])C[C@@H](C)n1cnc2ccccc21 ZINC000068648922 521155900 /nfs/dbraw/zinc/15/59/00/521155900.db2.gz FOFQEXYPKUXZSU-ABAIWWIYSA-N 1 0 275.352 2.268 10 0 CEAERO CCOC(=O)[C@@](C[N@H+](CC)CC1CC1)(NC(C)C)C1CC1 ZINC000069239582 521166257 /nfs/dbraw/zinc/16/62/57/521166257.db2.gz AGDAZKJXOFYSBS-KRWDZBQOSA-N 1 0 296.455 2.428 10 0 CEAERO CCOC(=O)[C@@](C[N@H+](CC)CC(C)C)(NC1CC1)C1CC1 ZINC000069096813 521167883 /nfs/dbraw/zinc/16/78/83/521167883.db2.gz HOTWXAOGDXXSSO-KRWDZBQOSA-N 1 0 296.455 2.428 10 0 CEAERO CCCC[C@H](CC)C[NH2+]C[C@@H]1CN(C)CCN1C ZINC000068804730 521178967 /nfs/dbraw/zinc/17/89/67/521178967.db2.gz YSFLOOPAIOSRPS-LSDHHAIUSA-N 1 0 255.450 2.038 10 0 CEAERO CC[N@H+](CCn1cc(N)cn1)Cc1ccccc1C ZINC000050614727 521184091 /nfs/dbraw/zinc/18/40/91/521184091.db2.gz YLLCJBBSKKWGIY-UHFFFAOYSA-N 1 0 258.369 2.296 10 0 CEAERO CCCC[C@H](C[NH2+]CCC)[C@@H]1CCS(=O)(=O)C1 ZINC000052950792 521191621 /nfs/dbraw/zinc/19/16/21/521191621.db2.gz QPPXTFNHUCXNOU-CHWSQXEVSA-N 1 0 261.431 2.227 10 0 CEAERO CCC[C@H]1CCC(=O)[C@H](C[N@H+](CCO)C(C)C)C1 ZINC000053930999 521200344 /nfs/dbraw/zinc/20/03/44/521200344.db2.gz LLKRLYXXJNVXMD-KBPBESRZSA-N 1 0 255.402 2.475 10 0 CEAERO CCC[C@H]1CN(CCn2ccnc2C)[C@@](C)(CC)C[NH2+]1 ZINC000068701929 521221208 /nfs/dbraw/zinc/22/12/08/521221208.db2.gz PMKJKVXASFLTDU-HOTGVXAUSA-N 1 0 278.444 2.434 10 0 CEAERO CCC[C@H]1CN(Cc2cnn(C)c2)C2(CCCC2)C[NH2+]1 ZINC000068702337 521222044 /nfs/dbraw/zinc/22/20/44/521222044.db2.gz RSWYPYDHIMHUQZ-HNNXBMFYSA-N 1 0 276.428 2.307 10 0 CEAERO CCC(=O)Nc1cccc(NC(=O)[C@]2(C)CC[NH2+]C2)c1C ZINC000062893593 521226639 /nfs/dbraw/zinc/22/66/39/521226639.db2.gz JSQBZYCDMVEOFO-MRXNPFEDSA-N 1 0 289.379 2.282 10 0 CEAERO CCOc1ccc([C@@H](COC)[NH2+]C)cc1OCC ZINC000055226209 521228906 /nfs/dbraw/zinc/22/89/06/521228906.db2.gz ZNCMBIJZXXZBHW-GFCCVEGCSA-N 1 0 253.342 2.391 10 0 CEAERO CCC(C)(C)N(C)C(=O)[C@H](C[NH3+])Cc1ccccc1 ZINC000069442567 521294962 /nfs/dbraw/zinc/29/49/62/521294962.db2.gz GZTNVNAJWWLPNZ-AWEZNQCLSA-N 1 0 262.397 2.451 10 0 CEAERO CCC[C@]1(C(=O)NC[C@@H]2CC=CCC2)CC[NH2+]C1 ZINC000062902904 521298501 /nfs/dbraw/zinc/29/85/01/521298501.db2.gz ZIXFOASIDSROSM-HIFRSBDPSA-N 1 0 250.386 2.239 10 0 CEAERO CCC[C@]1(C(=O)Nc2nc3c(s2)CCC3)CC[NH2+]C1 ZINC000062901809 521300780 /nfs/dbraw/zinc/30/07/80/521300780.db2.gz QOJRLUUBVDDWEP-AWEZNQCLSA-N 1 0 279.409 2.350 10 0 CEAERO CCOc1cccc(-c2noc([C@H]3CC[NH2+]C3)n2)c1 ZINC000062119661 521314134 /nfs/dbraw/zinc/31/41/34/521314134.db2.gz VTLCYJTVPOXQNX-NSHDSACASA-N 1 0 259.309 2.212 10 0 CEAERO CCOC(=O)[C@](C)(N)CCC[NH+]1CCC(CC)CC1 ZINC000045428401 521326339 /nfs/dbraw/zinc/32/63/39/521326339.db2.gz HMAGKYQFHCIWHC-OAHLLOKOSA-N 1 0 270.417 2.169 10 0 CEAERO CCOC(=O)[C@](C[N@H+](C)CC1CCCC1)(NC)C1CC1 ZINC000069233269 521336949 /nfs/dbraw/zinc/33/69/49/521336949.db2.gz STXIBJKNNCDBAK-MRXNPFEDSA-N 1 0 282.428 2.040 10 0 CEAERO CCOc1cccc(C[NH2+]C(C)(C)C)c1O[C@@H](C)C(N)=O ZINC000062732679 521358831 /nfs/dbraw/zinc/35/88/31/521358831.db2.gz HINDIGPFZPHCII-NSHDSACASA-N 1 0 294.395 2.226 10 0 CEAERO CCC(CC)(C[NH3+])N(C)CC(=O)Nc1ccc(F)cc1 ZINC000050092372 521426587 /nfs/dbraw/zinc/42/65/87/521426587.db2.gz XBPPOOOKNLSFOG-UHFFFAOYSA-N 1 0 281.375 2.214 10 0 CEAERO CCOc1cccc([C@H]2[C@H](C[NH2+]C(C)C)OCCN2C)c1 ZINC000070287473 521427393 /nfs/dbraw/zinc/42/73/93/521427393.db2.gz UPURJQUIHJRVTQ-IRXDYDNUSA-N 1 0 292.423 2.455 10 0 CEAERO CCC(CC)CN(CC)C(=O)c1ccc(NN)[nH+]c1 ZINC000051114544 521518058 /nfs/dbraw/zinc/51/80/58/521518058.db2.gz CEPWJOIKKOERMA-UHFFFAOYSA-N 1 0 264.373 2.266 10 0 CEAERO CCOC(=O)c1cccc(NC(=O)C2(C)CC[NH2+]CC2)c1 ZINC000062841203 521537321 /nfs/dbraw/zinc/53/73/21/521537321.db2.gz VXZWVBVMAMUXGD-UHFFFAOYSA-N 1 0 290.363 2.192 10 0 CEAERO CCOC(=O)c1ccoc1CN1[C@@H](C[NH3+])CCC[C@@H]1C ZINC000070154406 521561732 /nfs/dbraw/zinc/56/17/32/521561732.db2.gz CJFKOKYUEPKRPR-NWDGAFQWSA-N 1 0 280.368 2.158 10 0 CEAERO CCCC1N=NC(=S)N1[C@@H](C[NH+](C)C)C(C)C ZINC000049219749 521570038 /nfs/dbraw/zinc/57/00/38/521570038.db2.gz WTJWHYSAUCPZNW-JTQLQIEISA-N 1 0 256.419 2.278 10 0 CEAERO CCCc1noc(CN(C)C[C@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000012204128 521580937 /nfs/dbraw/zinc/58/09/37/521580937.db2.gz PYCSFJQRLWRSOJ-CYBMUJFWSA-N 1 0 280.416 2.184 10 0 CEAERO CCCn1c(S[C@H](C[NH3+])c2ccc(C)cc2)n[nH]c1=O ZINC000061594840 521635354 /nfs/dbraw/zinc/63/53/54/521635354.db2.gz IDNUDJUSFGIAHA-GFCCVEGCSA-N 1 0 292.408 2.082 10 0 CEAERO CCCn1cccc1C(=O)N[C@H]1CCCCC[C@H]1[NH3+] ZINC000063210869 521658693 /nfs/dbraw/zinc/65/86/93/521658693.db2.gz XUWYOCHXYSKLSI-OLZOCXBDSA-N 1 0 263.385 2.288 10 0 CEAERO CCC1(C(=O)N(C)Cc2cccc(O)c2)CC[NH2+]CC1 ZINC000062849258 521659483 /nfs/dbraw/zinc/65/94/83/521659483.db2.gz QMYKJHJPHMYGRW-UHFFFAOYSA-N 1 0 276.380 2.130 10 0 CEAERO CCC1(C(=O)N(C)c2cccc(OC)c2)CC[NH2+]CC1 ZINC000062850176 521660251 /nfs/dbraw/zinc/66/02/51/521660251.db2.gz MNWQFPBEMBXAOA-UHFFFAOYSA-N 1 0 276.380 2.438 10 0 CEAERO CCCn1ccnc1[C@@H]([NH3+])c1ccc2c(c1)CCO2 ZINC000050892634 521662418 /nfs/dbraw/zinc/66/24/18/521662418.db2.gz ZSELIVDOJWVZPU-AWEZNQCLSA-N 1 0 257.337 2.276 10 0 CEAERO CCC1(C(=O)NCCN(C)c2ccccc2)CC[NH2+]CC1 ZINC000062849762 521666634 /nfs/dbraw/zinc/66/66/34/521666634.db2.gz SEVUPSJSDOJUHF-UHFFFAOYSA-N 1 0 289.423 2.019 10 0 CEAERO CC[N@@H+]1CC[C@@H](CNc2cc(Cl)nc(C)n2)C1 ZINC000052836357 521711256 /nfs/dbraw/zinc/71/12/56/521711256.db2.gz RIGIMPVIKMAHSX-JTQLQIEISA-N 1 0 254.765 2.192 10 0 CEAERO CCNC(=O)CCOc1ccc([C@@H](C)[NH2+]CC)cc1OC ZINC000051757141 521735972 /nfs/dbraw/zinc/73/59/72/521735972.db2.gz VGFOFUGSEIQSSU-GFCCVEGCSA-N 1 0 294.395 2.271 10 0 CEAERO CCNC(=O)[C@H](C)Oc1cccc2c1CC[C@H]2[NH2+]CC ZINC000062799718 521745764 /nfs/dbraw/zinc/74/57/64/521745764.db2.gz YZIXJNVLOFXXEU-SMDDNHRTSA-N 1 0 276.380 2.187 10 0 CEAERO CCNC(=O)c1cc(N[C@H](CC(C)C)C[NH+](C)C)ccn1 ZINC000049558172 521747211 /nfs/dbraw/zinc/74/72/11/521747211.db2.gz XUTOUZWOVIWNPF-CQSZACIVSA-N 1 0 292.427 2.220 10 0 CEAERO COCC[C@@H]([NH3+])C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000052790836 521826500 /nfs/dbraw/zinc/82/65/00/521826500.db2.gz ACSXTYLPHRROFJ-SNVBAGLBSA-N 1 0 276.258 2.008 10 0 CEAERO C[NH+](C)C[C@@H]1CCCN1CCC(=O)c1ccccc1F ZINC000061653399 521836636 /nfs/dbraw/zinc/83/66/36/521836636.db2.gz KGCYHPKVWSOXKR-ZDUSSCGKSA-N 1 0 278.371 2.425 10 0 CEAERO COC(=O)c1cc(Cl)ccc1NC(=O)CCCC[NH3+] ZINC000070201834 521866303 /nfs/dbraw/zinc/86/63/03/521866303.db2.gz SOEWSZVHQDNODF-UHFFFAOYSA-N 1 0 284.743 2.194 10 0 CEAERO C[NH2+]C(C)(C)C(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000061300790 521940746 /nfs/dbraw/zinc/94/07/46/521940746.db2.gz KQHZPRQAIBEREP-UHFFFAOYSA-N 1 0 270.716 2.005 10 0 CEAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 ZINC000061300656 521941764 /nfs/dbraw/zinc/94/17/64/521941764.db2.gz KOWDQYBXKVKPMT-UHFFFAOYSA-N 1 0 284.743 2.063 10 0 CEAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(NC(C)=O)c(Cl)c1 ZINC000061300824 521943047 /nfs/dbraw/zinc/94/30/47/521943047.db2.gz BXXZVGBSTLNCIY-UHFFFAOYSA-N 1 0 283.759 2.235 10 0 CEAERO C[NH2+]C(C)(C)CN1CCc2cc(OC)c(OC)cc2C1 ZINC000061319450 521944424 /nfs/dbraw/zinc/94/44/24/521944424.db2.gz KDZRQWQPGWAYMD-UHFFFAOYSA-N 1 0 278.396 2.060 10 0 CEAERO COCC[C@H]([NH3+])c1nc2cccc(Cl)c2n1C ZINC000052785270 521950616 /nfs/dbraw/zinc/95/06/16/521950616.db2.gz GJTOOKBTIRGDGH-VIFPVBQESA-N 1 0 253.733 2.263 10 0 CEAERO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1nccs1 ZINC000054602554 521954872 /nfs/dbraw/zinc/95/48/72/521954872.db2.gz LFSBCUZCJRLNGL-YOGCLGLASA-N 1 0 251.399 2.248 10 0 CEAERO CC[C@@H](C)CNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000054472954 521991564 /nfs/dbraw/zinc/99/15/64/521991564.db2.gz DOLREPMFJOUZOK-CQSZACIVSA-N 1 0 274.408 2.470 10 0 CEAERO C[NH2+]CCCc1c(C)nc(-c2ccncc2)nc1C ZINC000054837382 522001104 /nfs/dbraw/zinc/00/11/04/522001104.db2.gz IOVPZSUBGPRUKO-UHFFFAOYSA-N 1 0 256.353 2.307 10 0 CEAERO C[NH2+]CC[C@@H]1CCCCN1C(=O)c1ccccc1OC ZINC000070191729 522016788 /nfs/dbraw/zinc/01/67/88/522016788.db2.gz ZYWHDALEDQUUOY-ZDUSSCGKSA-N 1 0 276.380 2.299 10 0 CEAERO C[NH2+]CCc1nnc(COc2ccc(Cl)cc2)o1 ZINC000050619580 522022467 /nfs/dbraw/zinc/02/24/67/522022467.db2.gz ZQHIPEWQNSREIN-UHFFFAOYSA-N 1 0 267.716 2.064 10 0 CEAERO C[NH2+]CCc1noc(-c2c(F)c(F)c(F)c(F)c2F)n1 ZINC000051850908 522023077 /nfs/dbraw/zinc/02/30/77/522023077.db2.gz SRJLQWNIFFWYSU-UHFFFAOYSA-N 1 0 293.195 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265.353 2.009 10 0 CEAERO C[NH2+]C[C@H](c1ccccc1)n1nnc(-c2ccccc2)n1 ZINC000052574711 522078457 /nfs/dbraw/zinc/07/84/57/522078457.db2.gz WJUXJGULSKHAQE-OAHLLOKOSA-N 1 0 279.347 2.149 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1C(=O)c1ccc2ncccc2c1 ZINC000063167284 522080075 /nfs/dbraw/zinc/08/00/75/522080075.db2.gz RFOQNXWNDMKLNB-OAHLLOKOSA-N 1 0 283.375 2.449 10 0 CEAERO C[NH2+]C[C@H]1CC[C@@H](COc2ccc(Cl)cc2)O1 ZINC000052665169 522093057 /nfs/dbraw/zinc/09/30/57/522093057.db2.gz BNQZMDFZCGSPHZ-OLZOCXBDSA-N 1 0 255.745 2.486 10 0 CEAERO C[NH2+]C[C@H]1CC[C@@H](COc2ccc(CCOC)cc2)O1 ZINC000052699517 522093468 /nfs/dbraw/zinc/09/34/68/522093468.db2.gz GCDAXYOWXCKCEW-CVEARBPZSA-N 1 0 279.380 2.021 10 0 CEAERO C[NH2+]C[C@H]1OCCN(C)[C@@H]1c1cccc(Br)c1 ZINC000070284602 522098424 /nfs/dbraw/zinc/09/84/24/522098424.db2.gz URXCLAVSUNPPKN-CHWSQXEVSA-N 1 0 299.212 2.040 10 0 CEAERO CC[C@H](CC[NH3+])NC(=O)c1cccc(OC(C)C)c1 ZINC000061665831 522129185 /nfs/dbraw/zinc/12/91/85/522129185.db2.gz ONNSZTSPNRLSCI-CYBMUJFWSA-N 1 0 264.369 2.331 10 0 CEAERO C[NH2+]Cc1cccc(O[C@H]2CCC[C@@H](OC)C2)n1 ZINC000070335168 522134012 /nfs/dbraw/zinc/13/40/12/522134012.db2.gz YVZAGLRWZLDOAU-OLZOCXBDSA-N 1 0 250.342 2.137 10 0 CEAERO C[NH2+]Cc1ccccc1NC(=O)c1cccnc1OC ZINC000061445194 522136618 /nfs/dbraw/zinc/13/66/18/522136618.db2.gz TYQMIKTVYBKIQB-UHFFFAOYSA-N 1 0 271.320 2.062 10 0 CEAERO C[NH2+]Cc1nc(CN2CCO[C@@H]3CCCC[C@@H]32)cs1 ZINC000052572999 522151516 /nfs/dbraw/zinc/15/15/16/522151516.db2.gz CQOZRKNBCBFISQ-QWHCGFSZSA-N 1 0 281.425 2.006 10 0 CEAERO C[NH2+]Cc1sc(N2CCO[C@@H](C)C2)nc1C(C)(C)C ZINC000054995723 522166981 /nfs/dbraw/zinc/16/69/81/522166981.db2.gz LPPMKUZPEPQLOH-JTQLQIEISA-N 1 0 283.441 2.385 10 0 CEAERO CC[C@H](C[NH2+]C)N1CCc2cc(OC)c(OC)cc2C1 ZINC000052417232 522192729 /nfs/dbraw/zinc/19/27/29/522192729.db2.gz KAYVFDAZURVYQX-CQSZACIVSA-N 1 0 278.396 2.060 10 0 CEAERO CN(C)c1ccc(Cl)cc1NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000062893203 522217604 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C[NH2+][C@@H](CN1CCc2cc(OC)c(OC)cc2C1)C1CC1 ZINC000069073689 522354736 /nfs/dbraw/zinc/35/47/36/522354736.db2.gz QULPNYTZFDVPOQ-HNNXBMFYSA-N 1 0 290.407 2.060 10 0 CEAERO COc1cc(C[NH3+])cc(Cl)c1OC[C@H](O)C(F)(F)F ZINC000068875726 522362372 /nfs/dbraw/zinc/36/23/72/522362372.db2.gz CWFBKDYIZWFWNU-VIFPVBQESA-N 1 0 299.676 2.109 10 0 CEAERO C[NH2+][C@@H](c1ccnn1C)c1ccc2ncccc2c1 ZINC000069468107 522371424 /nfs/dbraw/zinc/37/14/24/522371424.db2.gz NANIACJWRLWJSL-OAHLLOKOSA-N 1 0 252.321 2.277 10 0 CEAERO CCc1nc(N2CC[NH+](C(C)(C)C)CC2)sc1CO ZINC000055004492 522386138 /nfs/dbraw/zinc/38/61/38/522386138.db2.gz LGNKKSVGOZDLRS-UHFFFAOYSA-N 1 0 283.441 2.118 10 0 CEAERO C[NH2+][C@@H]1CCO[C@H](c2ccc3c(c2)OCCCO3)C1 ZINC000070340586 522395522 /nfs/dbraw/zinc/39/55/22/522395522.db2.gz LZHUMRIKMAXFSJ-OCCSQVGLSA-N 1 0 263.337 2.287 10 0 CEAERO CN[C@@](C)(C[C@@H](C)[N@H+](C)CC1CCCCC1)C(=O)OC ZINC000068638386 522413369 /nfs/dbraw/zinc/41/33/69/522413369.db2.gz OUFWPFJHCBTTQC-CJNGLKHVSA-N 1 0 284.444 2.428 10 0 CEAERO CC[C@@H](C)c1ccccc1OCC[C@H]([NH2+]C)C(N)=O ZINC000062551081 522435706 /nfs/dbraw/zinc/43/57/06/522435706.db2.gz RNASOCXZEGKPHM-YPMHNXCESA-N 1 0 264.369 2.042 10 0 CEAERO C[NH2+][C@H](C)c1ccc(F)cc1O[C@H]1CCCCNC1=O ZINC000062746627 522446167 /nfs/dbraw/zinc/44/61/67/522446167.db2.gz WGZIWOPPRQZDPF-MFKMUULPSA-N 1 0 280.343 2.154 10 0 CEAERO C[NH2+][C@H](C)c1ccc(F)cc1OCc1nc(C)no1 ZINC000062746218 522447670 /nfs/dbraw/zinc/44/76/70/522447670.db2.gz IXKAZXSRCVQBJQ-MRVPVSSYSA-N 1 0 265.288 2.377 10 0 CEAERO C[NH2+][C@H](CCOC)c1ccc2c(c1)OCCCO2 ZINC000055225808 522461182 /nfs/dbraw/zinc/46/11/82/522461182.db2.gz JYYSRUWVETYKMN-GFCCVEGCSA-N 1 0 251.326 2.145 10 0 CEAERO C[NH2+][C@H](CC[C@@H]1CCCCO1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000069390621 522466850 /nfs/dbraw/zinc/46/68/50/522466850.db2.gz WWOBONRBNLHEFC-QWHCGFSZSA-N 1 0 289.379 2.466 10 0 CEAERO C[NH2+][C@H](c1cc2c(cc1F)NC(=O)CC2)C1CCOCC1 ZINC000061671767 522477072 /nfs/dbraw/zinc/47/70/72/522477072.db2.gz IEMVEFDYVNOJRI-INIZCTEOSA-N 1 0 292.354 2.398 10 0 CEAERO C[NH2+][C@H](c1ccc2c(c1)CC(C)(C)O2)[C@H]1COCCO1 ZINC000055301488 522483223 /nfs/dbraw/zinc/48/32/23/522483223.db2.gz UWZXVLBTMLFEAY-HUUCEWRRSA-N 1 0 277.364 2.076 10 0 CEAERO C[NH2+][C@H]1CCCc2nc(C[C@@H]3CCCO3)sc21 ZINC000050329955 522499702 /nfs/dbraw/zinc/49/97/02/522499702.db2.gz AIRDQGFAZTTXAM-UWVGGRQHSA-N 1 0 252.383 2.461 10 0 CEAERO C[NH2+][C@H]1CCc2c1cccc2O[C@@H](C)C(=O)NC(C)C ZINC000062799293 522505236 /nfs/dbraw/zinc/50/52/36/522505236.db2.gz KXSQDNXNPDFRNH-FZMZJTMJSA-N 1 0 276.380 2.185 10 0 CEAERO C[NH2+][C@H]1CCc2c1cccc2OCCCC(=O)OC ZINC000062799087 522505643 /nfs/dbraw/zinc/50/56/43/522505643.db2.gz SLPONBGUEWILOS-ZDUSSCGKSA-N 1 0 263.337 2.225 10 0 CEAERO CC[C@@H](C[NH2+]C1CC1)N1CCN(c2ccccc2F)CC1 ZINC000052374679 522545327 /nfs/dbraw/zinc/54/53/27/522545327.db2.gz SRPGUXUWMAZJPR-HNNXBMFYSA-N 1 0 291.414 2.478 10 0 CEAERO CC[C@@H](C[NH2+]CC(C)C)N1CCN(c2nccs2)CC1 ZINC000052417634 522548150 /nfs/dbraw/zinc/54/81/50/522548150.db2.gz LWEUYILEOIMTFW-AWEZNQCLSA-N 1 0 296.484 2.289 10 0 CEAERO COc1cc(F)c([C@@H]([NH3+])C2CCOCC2)c(F)c1 ZINC000061672157 522584402 /nfs/dbraw/zinc/58/44/02/522584402.db2.gz FMPMVUZKHXTXJL-ZDUSSCGKSA-N 1 0 257.280 2.400 10 0 CEAERO COC[C@H](C)N(C)c1cccc(Cl)c1C(N)=[NH2+] ZINC000052905595 522598707 /nfs/dbraw/zinc/59/87/07/522598707.db2.gz HCVPRWSHGRWSMI-QMMMGPOBSA-N 1 0 255.749 2.095 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc(Cl)ccc1O[C@@H](CC)C(N)=O ZINC000061678380 522643715 /nfs/dbraw/zinc/64/37/15/522643715.db2.gz LPJNXMJPSJFDDN-NEPJUHHUSA-N 1 0 284.787 2.263 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](O[C@@H]1CCC[C@H](OC)C1)c1cnn(C)c1 ZINC000070322981 522646395 /nfs/dbraw/zinc/64/63/95/522646395.db2.gz PYWGVYUZCDYKOP-YJNKXOJESA-N 1 0 281.400 2.173 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1nnc(C)o1)c1ccncc1 ZINC000051037813 522648234 /nfs/dbraw/zinc/64/82/34/522648234.db2.gz DSNXTTJMBOCOJH-MNOVXSKESA-N 1 0 264.354 2.344 10 0 CEAERO CC[C@@H]([NH3+])[C@@](O)(c1cccc(OC)c1)C(F)(F)F ZINC000062784492 522652084 /nfs/dbraw/zinc/65/20/84/522652084.db2.gz JNZDFJGXZLSFQV-MNOVXSKESA-N 1 0 263.259 2.182 10 0 CEAERO CNc1nc2ccccc2cc1C[NH+]1CCC(CO)CC1 ZINC000050791828 522689275 /nfs/dbraw/zinc/68/92/75/522689275.db2.gz HGAFCPUQSVNXLZ-UHFFFAOYSA-N 1 0 285.391 2.481 10 0 CEAERO COC[C@H]([NH3+])Cc1ccc(Br)cc1F ZINC000060697114 522694571 /nfs/dbraw/zinc/69/45/71/522694571.db2.gz HPSNLDKZVBIRFQ-SECBINFHSA-N 1 0 262.122 2.104 10 0 CEAERO COC1CCN([C@@H](C[NH3+])c2ccc(F)c(C)c2)CC1 ZINC000050546030 522706366 /nfs/dbraw/zinc/70/63/66/522706366.db2.gz UBPDOFQMPPJRHS-HNNXBMFYSA-N 1 0 266.360 2.245 10 0 CEAERO CN(CC[NH2+]C1CCOCC1)c1ccc(F)cc1 ZINC000062767800 522863296 /nfs/dbraw/zinc/86/32/96/522863296.db2.gz CMTOIYPQQRNCLE-UHFFFAOYSA-N 1 0 252.333 2.031 10 0 CEAERO COc1cc(OC)cc(N2CC[C@H](C[NH2+]C3CC3)C2)c1 ZINC000053011101 522865740 /nfs/dbraw/zinc/86/57/40/522865740.db2.gz KDZBFZQKJMLSJV-GFCCVEGCSA-N 1 0 276.380 2.282 10 0 CEAERO CN(CC[NH2+]Cc1ccccc1)CCc1ccncc1 ZINC000053386372 522867939 /nfs/dbraw/zinc/86/79/39/522867939.db2.gz ZFRHPSYQSGYIOO-UHFFFAOYSA-N 1 0 269.392 2.346 10 0 CEAERO COc1cc(OC)cc(O[C@@H](C)C[NH2+]C2CC2)c1 ZINC000070144260 522871220 /nfs/dbraw/zinc/87/12/20/522871220.db2.gz BDXBLIVEYODCGZ-JTQLQIEISA-N 1 0 251.326 2.223 10 0 CEAERO CC[C@@H](NS(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1)C(C)C ZINC000049147329 522905643 /nfs/dbraw/zinc/90/56/43/522905643.db2.gz WARLIJRAHMUTLZ-BXUZGUMPSA-N 1 0 284.425 2.419 10 0 CEAERO C[N@H+](CC[C@@H]([NH2+]C1CC1)C(=O)[O-])C1CCCCCC1 ZINC000062451283 522927493 /nfs/dbraw/zinc/92/74/93/522927493.db2.gz KAIOTIVPZVFYRA-CQSZACIVSA-N 1 0 268.401 2.236 10 0 CEAERO C[N@H+](CCn1cc(N)cn1)Cc1cccc(Cl)c1 ZINC000050614770 522999515 /nfs/dbraw/zinc/99/95/15/522999515.db2.gz KPFOCONBANEOJO-UHFFFAOYSA-N 1 0 264.760 2.251 10 0 CEAERO COC(=O)CCOc1cc(OC)ccc1C[NH2+]CC(C)C ZINC000069317608 523103080 /nfs/dbraw/zinc/10/30/80/523103080.db2.gz ZQDQNTUVVYFCPB-UHFFFAOYSA-N 1 0 295.379 2.383 10 0 CEAERO COC(=O)CCOc1ccc(C[NH2+]C(C)C)cc1OC ZINC000069316978 523104929 /nfs/dbraw/zinc/10/49/29/523104929.db2.gz IPXMGTGMBQZGJS-UHFFFAOYSA-N 1 0 281.352 2.135 10 0 CEAERO COc1ccc(-c2nnc(CCC[NH2+]C3CC3)o2)cc1 ZINC000050617757 523251908 /nfs/dbraw/zinc/25/19/08/523251908.db2.gz WGOBOGUMARSXBP-UHFFFAOYSA-N 1 0 273.336 2.430 10 0 CEAERO COCCCN(CCOC)c1ccc(Cl)cc1C[NH3+] ZINC000052857340 523261871 /nfs/dbraw/zinc/26/18/71/523261871.db2.gz MXUNSVRJEHASTA-UHFFFAOYSA-N 1 0 286.803 2.288 10 0 CEAERO CC[C@H]1CO[C@H](C)CN1Cc1cc(C)c(C[NH3+])o1 ZINC000052571052 523352161 /nfs/dbraw/zinc/35/21/61/523352161.db2.gz ZUZDWXQIIPBKFR-NEPJUHHUSA-N 1 0 252.358 2.046 10 0 CEAERO CN(Cc1ccccc1)[C@]1(C[NH3+])CCCSC1 ZINC000061589912 523355084 /nfs/dbraw/zinc/35/50/84/523355084.db2.gz NMXWCJJHNXGPQH-AWEZNQCLSA-N 1 0 250.411 2.343 10 0 CEAERO CN(Cc1ccccn1)[C@H](C[NH3+])CCc1ccccc1 ZINC000061624651 523398662 /nfs/dbraw/zinc/39/86/62/523398662.db2.gz YBDBGNLWAILURR-KRWDZBQOSA-N 1 0 269.392 2.474 10 0 CEAERO CCn1cc(Cn2nc(C)c([C@H](C)[NH2+]C)c2C)cn1 ZINC000054717912 523400171 /nfs/dbraw/zinc/40/01/71/523400171.db2.gz FZFMVVZJXIUMCF-JTQLQIEISA-N 1 0 261.373 2.045 10 0 CEAERO CN(Cc1cccs1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054306066 523441987 /nfs/dbraw/zinc/44/19/87/523441987.db2.gz QOONIZBRYYQJPJ-NSHDSACASA-N 1 0 252.383 2.096 10 0 CEAERO CC[C@](C)(C[NH2+]CC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000054661710 523464241 /nfs/dbraw/zinc/46/42/41/523464241.db2.gz SQHHSOULBLUEFC-QWHCGFSZSA-N 1 0 261.431 2.083 10 0 CEAERO CC[C@@H]1CN(c2cc(C[NH2+]C(C)C)ccn2)CCO1 ZINC000051444567 523470108 /nfs/dbraw/zinc/47/01/08/523470108.db2.gz MATNRMGRRMZCLG-CQSZACIVSA-N 1 0 263.385 2.195 10 0 CEAERO CC[C@@H]1CN(c2ccccc2C[NH2+]CCOC)CCO1 ZINC000062735931 523470359 /nfs/dbraw/zinc/47/03/59/523470359.db2.gz APWNJKIIQGQJIY-OAHLLOKOSA-N 1 0 278.396 2.038 10 0 CEAERO COCCCn1nc(C)c(C[NH2+]CC(C)C)c1C ZINC000054717544 523508418 /nfs/dbraw/zinc/50/84/18/523508418.db2.gz MSCBNHMFAAWSSS-UHFFFAOYSA-N 1 0 253.390 2.282 10 0 CEAERO CN(Cc1cnn(C)c1)[C@@H](C[NH2+]C1CC1)c1ccccc1 ZINC000052570459 523516068 /nfs/dbraw/zinc/51/60/68/523516068.db2.gz RWJRIWGSUOUKEJ-KRWDZBQOSA-N 1 0 284.407 2.345 10 0 CEAERO CC[C@@H]1CO[C@H](C)CN1[C@@H](C[NH2+]C1CC1)C(C)C ZINC000052570733 523517979 /nfs/dbraw/zinc/51/79/79/523517979.db2.gz IORBOYVXKHWAHS-YUELXQCFSA-N 1 0 254.418 2.262 10 0 CEAERO CC[C@]1(C(=O)Nc2ccc3c(c2)OCO3)CCC[NH2+]C1 ZINC000062853016 523544481 /nfs/dbraw/zinc/54/44/81/523544481.db2.gz UEBCAEPVWQINHP-HNNXBMFYSA-N 1 0 276.336 2.134 10 0 CEAERO CCn1cc[nH+]c1NC[C@H]1CCN(CC(F)(F)F)C1 ZINC000050608527 523550285 /nfs/dbraw/zinc/55/02/85/523550285.db2.gz XQHUBTPDJJWIOF-SNVBAGLBSA-N 1 0 276.306 2.199 10 0 CEAERO COCC[N@H+](C)CCn1ccc2c1CC(C)(C)C[C@H]2O ZINC000061380790 523619757 /nfs/dbraw/zinc/61/97/57/523619757.db2.gz AIVRDGKEKGEWGB-OAHLLOKOSA-N 1 0 280.412 2.072 10 0 CEAERO COCCN(C)Cc1csc(C[NH2+]C(C)(C)C)n1 ZINC000052572737 523623103 /nfs/dbraw/zinc/62/31/03/523623103.db2.gz HNUIDBFCXODZDL-UHFFFAOYSA-N 1 0 271.430 2.109 10 0 CEAERO CC[C@@]1(C(=O)N2CCC[C@@H]2c2cccnc2)CC[NH2+]C1 ZINC000062891083 523692752 /nfs/dbraw/zinc/69/27/52/523692752.db2.gz FOEDTQUEXPBYBN-GDBMZVCRSA-N 1 0 273.380 2.135 10 0 CEAERO CCn1nccc1-c1cc(OC)c(OC)cc1C[NH3+] ZINC000069468727 523703621 /nfs/dbraw/zinc/70/36/21/523703621.db2.gz PFVBUAIOCMXWMR-UHFFFAOYSA-N 1 0 261.325 2.046 10 0 CEAERO C[NH+]1CCC(Oc2cc(Cl)ccc2C(N)=S)CC1 ZINC000062788715 523781647 /nfs/dbraw/zinc/78/16/47/523781647.db2.gz SRTYYALPKNODRX-UHFFFAOYSA-N 1 0 284.812 2.447 10 0 CEAERO C[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc2c1NCCC2 ZINC000050958110 523797461 /nfs/dbraw/zinc/79/74/61/523797461.db2.gz BNFCFQOPXFNERV-AWEZNQCLSA-N 1 0 287.407 2.259 10 0 CEAERO COc1ccc(C)cc1C(=O)N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000052943839 523800999 /nfs/dbraw/zinc/80/09/99/523800999.db2.gz FKNIVYLJUNMAQB-GJZGRUSLSA-N 1 0 288.391 2.360 10 0 CEAERO COC(=O)[C@@](C)([NH3+])CCCOc1ccc2c(c1)CCC2 ZINC000045504963 523816564 /nfs/dbraw/zinc/81/65/64/523816564.db2.gz FZBGVFUIVJHVNK-INIZCTEOSA-N 1 0 277.364 2.225 10 0 CEAERO COC(=O)[C@@](C)(N)CCCC[N@@H+]1CCCC(C)(C)C1 ZINC000069517096 523817371 /nfs/dbraw/zinc/81/73/71/523817371.db2.gz GPYPIQFZEQSFFP-HNNXBMFYSA-N 1 0 270.417 2.169 10 0 CEAERO C[N@@H+]1CCC[C@H](CNc2ccc3c(c2)CCC(=O)N3)C1 ZINC000054242349 523841395 /nfs/dbraw/zinc/84/13/95/523841395.db2.gz PPNAFDGIEMTXGY-GFCCVEGCSA-N 1 0 273.380 2.325 10 0 CEAERO CCc1cc2c(ncnc2N(C)CC[NH2+]C2CC2)s1 ZINC000053707158 523848758 /nfs/dbraw/zinc/84/87/58/523848758.db2.gz FHCDGTOHEZGXEF-UHFFFAOYSA-N 1 0 276.409 2.442 10 0 CEAERO COc1ccc(C=O)cc1C[N@@H+]1CCC[C@H]1CCCO ZINC000052761327 523885307 /nfs/dbraw/zinc/88/53/07/523885307.db2.gz GLRWNSLPJPBBNT-HNNXBMFYSA-N 1 0 277.364 2.245 10 0 CEAERO COc1ccc(C=O)cc1CN1CC[NH+](C(C)(C)C)CC1 ZINC000050123691 523885444 /nfs/dbraw/zinc/88/54/44/523885444.db2.gz QJJVRLWACFZWLU-UHFFFAOYSA-N 1 0 290.407 2.424 10 0 CEAERO COCCN1C[C@H](CC(C)C)[NH2+]C[C@H]1CC(C)C ZINC000062626415 523887979 /nfs/dbraw/zinc/88/79/79/523887979.db2.gz UHLWRVJEXFGEMQ-LSDHHAIUSA-N 1 0 256.434 2.367 10 0 CEAERO COC(=O)[C@H](CC[NH+]1CCC(C(C)(C)C)CC1)NC1CC1 ZINC000062530672 523898069 /nfs/dbraw/zinc/89/80/69/523898069.db2.gz JZEWNYRGCXEDAK-HNNXBMFYSA-N 1 0 296.455 2.428 10 0 CEAERO COCC[NH2+]C[C@@H](CCOCC(F)(F)F)C(C)C ZINC000054663274 523940632 /nfs/dbraw/zinc/94/06/32/523940632.db2.gz ONNQYRGVWWPCKO-LLVKDONJSA-N 1 0 271.323 2.464 10 0 CEAERO COCC[NH2+]C[C@@H]1C[C@H]1c1c(OC)cc(OC)cc1OC ZINC000054598735 523941392 /nfs/dbraw/zinc/94/13/92/523941392.db2.gz PCWLOMIKMZRSFF-WCQYABFASA-N 1 0 295.379 2.052 10 0 CEAERO COCC[NH2+]C[C@@H]1C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000054598607 523941688 /nfs/dbraw/zinc/94/16/88/523941688.db2.gz MWGGUTWHKPWWRD-STQMWFEESA-N 1 0 295.379 2.052 10 0 CEAERO COCC[NH2+]C[C@]1(CCOCCC(C)C)CCOC1 ZINC000054666521 523945475 /nfs/dbraw/zinc/94/54/75/523945475.db2.gz LCRJCALIJJKNND-HNNXBMFYSA-N 1 0 273.417 2.082 10 0 CEAERO COCC[NH2+]Cc1cc(F)ccc1N1CC[C@H](C)C1 ZINC000062736642 523950479 /nfs/dbraw/zinc/95/04/79/523950479.db2.gz JNFHZPGQUPMGAT-LBPRGKRZSA-N 1 0 266.360 2.408 10 0 CEAERO COCC[NH2+]Cc1cc(OC)ccc1OCCOC(C)C ZINC000062727769 523950622 /nfs/dbraw/zinc/95/06/22/523950622.db2.gz GWWGDAFDNAAKIS-UHFFFAOYSA-N 1 0 297.395 2.235 10 0 CEAERO CCc1ccc(C[C@@]2(C[NH2+]CCOC)CCOC2)cc1 ZINC000054666515 523951276 /nfs/dbraw/zinc/95/12/76/523951276.db2.gz SSMFAJRBKMJCMI-QGZVFWFLSA-N 1 0 277.408 2.434 10 0 CEAERO CCc1ccc(C[C@H](C[NH2+]C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000052950098 523951689 /nfs/dbraw/zinc/95/16/89/523951689.db2.gz FRJWRTQSLOMRFD-HZPDHXFCSA-N 1 0 295.448 2.062 10 0 CEAERO CN(C)C(=O)COc1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000062728722 523995239 /nfs/dbraw/zinc/99/52/39/523995239.db2.gz VCKJTFISJGMANW-UHFFFAOYSA-N 1 0 264.369 2.042 10 0 CEAERO COC(=O)[C@](C)(N)CCCC[NH+]1Cc2ccccc2C1 ZINC000050912337 524001715 /nfs/dbraw/zinc/00/17/15/524001715.db2.gz JZKZQWYDAGPBLG-MRXNPFEDSA-N 1 0 276.380 2.063 10 0 CEAERO COCCOCCOc1cccc(C[NH2+]C(C)C)c1 ZINC000052628238 524013086 /nfs/dbraw/zinc/01/30/86/524013086.db2.gz FRSISGIBFFDCGG-UHFFFAOYSA-N 1 0 267.369 2.226 10 0 CEAERO CNC(=O)CCCOc1c(C[NH2+]C(C)C)cccc1OC ZINC000068816428 524065269 /nfs/dbraw/zinc/06/52/69/524065269.db2.gz XDULBXUCMFBFLZ-UHFFFAOYSA-N 1 0 294.395 2.098 10 0 CEAERO COc1ccc(C[NH2+]C(C)(C)C)c(OC[C@H](C)O)c1 ZINC000062733116 524068833 /nfs/dbraw/zinc/06/88/33/524068833.db2.gz CVRIWPKXOHYINT-NSHDSACASA-N 1 0 267.369 2.343 10 0 CEAERO Cc1cc(C(=O)N[C@H]2CCCC[C@@H]2[NH3+])ccc1F ZINC000063058125 524149459 /nfs/dbraw/zinc/14/94/59/524149459.db2.gz JJXSMBLBZFOSRU-STQMWFEESA-N 1 0 250.317 2.134 10 0 CEAERO COc1cccc([C@H](C)NC(=O)C[C@@H]2CCC[NH2+]C2)c1 ZINC000054307553 524149821 /nfs/dbraw/zinc/14/98/21/524149821.db2.gz JQJIAGQMXIXCKQ-STQMWFEESA-N 1 0 276.380 2.262 10 0 CEAERO Cc1ccc(C)c(NS(=O)(=O)C[C@H]2CCCC[NH2+]2)c1 ZINC000049630907 524160973 /nfs/dbraw/zinc/16/09/73/524160973.db2.gz ZHZHSNFCSVIZGW-CYBMUJFWSA-N 1 0 282.409 2.187 10 0 CEAERO Cc1cccc(C(=O)N2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000051358392 524177202 /nfs/dbraw/zinc/17/72/02/524177202.db2.gz ATVOADIWOXJWTQ-HUUCEWRRSA-N 1 0 258.365 2.352 10 0 CEAERO Cc1ccc(C)c(OC[C@@]([NH2+]C(C)C)(C(N)=O)C2CC2)c1 ZINC000069197294 524181540 /nfs/dbraw/zinc/18/15/40/524181540.db2.gz PYGJNCWTRFPASM-KRWDZBQOSA-N 1 0 290.407 2.314 10 0 CEAERO C[C@@H]1CCCN(C(=O)COc2ccc(C[NH3+])cc2)[C@@H]1C ZINC000050563580 524194077 /nfs/dbraw/zinc/19/40/77/524194077.db2.gz PAFUNWCIQNJPCS-CHWSQXEVSA-N 1 0 276.380 2.171 10 0 CEAERO Cc1cccc(C(=O)NC[C@H](C)C[NH+]2CCCC2)c1N ZINC000059930942 524197388 /nfs/dbraw/zinc/19/73/88/524197388.db2.gz UEVOORNCQMLDOH-LBPRGKRZSA-N 1 0 275.396 2.039 10 0 CEAERO COc1ccc(Cl)cc1[C@](O)([C@H](C)[NH3+])C(F)(F)F ZINC000062784393 524256188 /nfs/dbraw/zinc/25/61/88/524256188.db2.gz ZQTSTTNCTGQJAO-QUBYGPBYSA-N 1 0 283.677 2.446 10 0 CEAERO Cc1ccc(CC(=O)N2C[C@@H]3C[C@@H]([NH3+])CC[C@@H]3C2)cc1C ZINC000053140226 524258503 /nfs/dbraw/zinc/25/85/03/524258503.db2.gz XLRVTPOFTSCSLE-IKGGRYGDSA-N 1 0 286.419 2.432 10 0 CEAERO C[C@H]1CCN(C(=O)c2cccc3cccnc32)C[C@@H]1[NH3+] ZINC000070145356 524271748 /nfs/dbraw/zinc/27/17/48/524271748.db2.gz WGWCCHNTIANISN-FZMZJTMJSA-N 1 0 269.348 2.044 10 0 CEAERO Cc1ccc(CC(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1C ZINC000061883731 524271768 /nfs/dbraw/zinc/27/17/68/524271768.db2.gz MPLVRASJKXIIGN-GJZGRUSLSA-N 1 0 260.381 2.090 10 0 CEAERO C[C@@H]1CCC[C@@H](C[NH3+])N1C(=O)c1c(F)cccc1F ZINC000070152839 524285224 /nfs/dbraw/zinc/28/52/24/524285224.db2.gz ADTNFVLHSZYQNB-ZJUUUORDSA-N 1 0 268.307 2.307 10 0 CEAERO C[C@H](C[NH3+])c1nc(-c2nccc3ccccc32)no1 ZINC000069312051 524311794 /nfs/dbraw/zinc/31/17/94/524311794.db2.gz UVDINMLVXZVHSH-SECBINFHSA-N 1 0 254.293 2.347 10 0 CEAERO Cc1cc(C)c([C@H]([NH3+])Cn2nc(C)ccc2=O)c(C)c1 ZINC000061810469 524336273 /nfs/dbraw/zinc/33/62/73/524336273.db2.gz LQYADDOORSABEL-CQSZACIVSA-N 1 0 271.364 2.177 10 0 CEAERO Cc1cccc(CCNC(=O)C[C@H]2CCCC[NH2+]2)c1 ZINC000051671210 524354920 /nfs/dbraw/zinc/35/49/20/524354920.db2.gz RTLMFIPMPZWQIH-OAHLLOKOSA-N 1 0 260.381 2.186 10 0 CEAERO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1cccnc1C(N)=S ZINC000061659670 524362282 /nfs/dbraw/zinc/36/22/82/524362282.db2.gz CHWIPGYNMNMFNC-PHIMTYICSA-N 1 0 263.410 2.479 10 0 CEAERO COc1ccc(N)cc1OCCC[NH+]1CCCC1 ZINC000049331652 524377681 /nfs/dbraw/zinc/37/76/81/524377681.db2.gz HJGWMHPYCVHXCX-UHFFFAOYSA-N 1 0 250.342 2.142 10 0 CEAERO Cc1cc(C)cc(N(C)[C@H](C[NH3+])C2CCOCC2)c1 ZINC000052177965 524404758 /nfs/dbraw/zinc/40/47/58/524404758.db2.gz APAHEGKGLRGUDL-MRXNPFEDSA-N 1 0 262.397 2.494 10 0 CEAERO Cc1cc(C)cc(O[C@H](C)C[C@](C)([NH2+]C2CC2)C(N)=O)c1 ZINC000068656130 524455793 /nfs/dbraw/zinc/45/57/93/524455793.db2.gz BPVYTFSKPWEWNY-DYVFJYSZSA-N 1 0 290.407 2.457 10 0 CEAERO Cc1cccc(CSC[C@](C)([NH2+]C(C)C)C(N)=O)c1 ZINC000054966390 524461073 /nfs/dbraw/zinc/46/10/73/524461073.db2.gz CJLDHJSGGMGBHQ-HNNXBMFYSA-N 1 0 280.437 2.470 10 0 CEAERO COc1ccc(NC(=O)C[NH2+]C2CCCC2)c(C)c1 ZINC000061568199 524496723 /nfs/dbraw/zinc/49/67/23/524496723.db2.gz MRNVXSFVWWKYBA-UHFFFAOYSA-N 1 0 262.353 2.474 10 0 CEAERO COc1ccc(NC(=O)COCC[C@H]2CCCC[NH2+]2)cc1 ZINC000051862060 524502003 /nfs/dbraw/zinc/50/20/03/524502003.db2.gz IKQLOXJNJVVEKB-CYBMUJFWSA-N 1 0 292.379 2.183 10 0 CEAERO C[C@@H]1CCN(Cc2nc(-c3ccc(F)cc3)no2)C[C@@H]1[NH3+] ZINC000070147918 524517062 /nfs/dbraw/zinc/51/70/62/524517062.db2.gz VYWZYCCMEDRLDG-MFKMUULPSA-N 1 0 290.342 2.045 10 0 CEAERO COc1ccccc1N(CCC[NH3+])CCc1cccnc1 ZINC000063221781 524531447 /nfs/dbraw/zinc/53/14/47/524531447.db2.gz MVPYXXDJKWYONV-UHFFFAOYSA-N 1 0 285.391 2.488 10 0 CEAERO Cc1cc(C)n(Cc2csc(C[NH2+]C3CC3)n2)n1 ZINC000052576002 524542125 /nfs/dbraw/zinc/54/21/25/524542125.db2.gz FLXQRIUEMKXNJP-UHFFFAOYSA-N 1 0 262.382 2.257 10 0 CEAERO C[C@@H]1CC[C@@H](C[NH3+])CN1C(=O)c1nccc2ccccc21 ZINC000070179858 524588423 /nfs/dbraw/zinc/58/84/23/524588423.db2.gz UHKBZUBSWBIPLX-OLZOCXBDSA-N 1 0 283.375 2.434 10 0 CEAERO Cc1cc(C)nc(N[C@H](CC(C)C)C[NH+](C)C)n1 ZINC000049558174 524594272 /nfs/dbraw/zinc/59/42/72/524594272.db2.gz MDKKJHSLVMAZQQ-CYBMUJFWSA-N 1 0 250.390 2.482 10 0 CEAERO C[C@@H](C[NH+]1CCCCC1)Nc1ccc(C(N)=S)cn1 ZINC000049502468 524606697 /nfs/dbraw/zinc/60/66/97/524606697.db2.gz AYECQNODVHOWPT-NSHDSACASA-N 1 0 278.425 2.002 10 0 CEAERO C[C@H](C[C@@](C)([NH2+]C1CC1)C(=O)[O-])[N@@H+]1CCCC(C)(C)C1 ZINC000068647795 524629897 /nfs/dbraw/zinc/62/98/97/524629897.db2.gz HHMDSXLAGXMBSB-MLGOLLRUSA-N 1 0 282.428 2.482 10 0 CEAERO C[C@@H]1CC[C@H](C(=O)NCCC2CCCC2)C[C@@H]1[NH3+] ZINC000055130576 524633874 /nfs/dbraw/zinc/63/38/74/524633874.db2.gz GCIPFROFQXAQEL-XBFCOCLRSA-N 1 0 252.402 2.446 10 0 CEAERO C[C@H]1CN(Cc2cn3ccccc3n2)C2(CCCC2)C[NH2+]1 ZINC000068698743 524639886 /nfs/dbraw/zinc/63/98/86/524639886.db2.gz HAALEBODFCSJRV-AWEZNQCLSA-N 1 0 284.407 2.441 10 0 CEAERO C[C@H]1CN(Cc2ncccn2)[C@H](C2CCCCC2)C[NH2+]1 ZINC000068699256 524651503 /nfs/dbraw/zinc/65/15/03/524651503.db2.gz OHZQQJGUVYZQOT-ZFWWWQNUSA-N 1 0 274.412 2.219 10 0 CEAERO C[C@H]1CN(Cc2oc3ccccc3c2C[NH3+])CCO1 ZINC000052382568 524652861 /nfs/dbraw/zinc/65/28/61/524652861.db2.gz RNTIQMRIHKVWFS-NSHDSACASA-N 1 0 260.337 2.112 10 0 CEAERO C[C@@H]1CC[C@H](C[NH3+])CN1C(=O)Cc1ccccc1Cl ZINC000070180472 524669618 /nfs/dbraw/zinc/66/96/18/524669618.db2.gz HBZLEMMOQSZXLS-VXGBXAGGSA-N 1 0 280.799 2.468 10 0 CEAERO Cc1cccc(NCC[N@H+]2CCC[C@H]2CN(C)C)c1 ZINC000061655248 524673500 /nfs/dbraw/zinc/67/35/00/524673500.db2.gz YFHVDMPYJQIWTM-INIZCTEOSA-N 1 0 261.413 2.433 10 0 CEAERO C[C@@H](CNC(=O)c1ccc2c[nH]nc2c1)C[NH+]1CCCC1 ZINC000062080652 524720767 /nfs/dbraw/zinc/72/07/67/524720767.db2.gz UOHLCIKLHBHKRI-LBPRGKRZSA-N 1 0 286.379 2.025 10 0 CEAERO C[C@H](Cc1ccco1)[NH2+][C@@H](CO)Cc1ccccc1 ZINC000063219037 524747105 /nfs/dbraw/zinc/74/71/05/524747105.db2.gz QTLUOEJEIVBVPU-UKRRQHHQSA-N 1 0 259.349 2.404 10 0 CEAERO C[C@H](Cc1cccs1)NC(=O)C1(C)CC[NH2+]CC1 ZINC000062840140 524748869 /nfs/dbraw/zinc/74/88/69/524748869.db2.gz LDRXIWZDSIGTDE-LLVKDONJSA-N 1 0 266.410 2.185 10 0 CEAERO Cc1cc(C[NH2+]CCN2CCC(C)CC2)c(C)n1C ZINC000052790432 524756186 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C[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)COC(C)(C)C ZINC000062186624 524913194 /nfs/dbraw/zinc/91/31/94/524913194.db2.gz HQXRCAZIDPBLTO-DZGCQCFKSA-N 1 0 265.397 2.383 10 0 CEAERO COc1ccc(OC)c([C@]2(C)C[C@H]([NH3+])CCO2)c1 ZINC000070341547 524921321 /nfs/dbraw/zinc/92/13/21/524921321.db2.gz WTMPWKXYFHBZNW-YGRLFVJLSA-N 1 0 251.326 2.057 10 0 CEAERO C[C@@H](Cc1ccco1)NC(=O)Nc1cccc(C[NH3+])c1 ZINC000049147541 524925438 /nfs/dbraw/zinc/92/54/38/524925438.db2.gz CZIYNBHNQTXXME-NSHDSACASA-N 1 0 273.336 2.491 10 0 CEAERO C[C@H](NC(=O)CC1CC[NH2+]CC1)c1cccc(F)c1 ZINC000048592349 524926887 /nfs/dbraw/zinc/92/68/87/524926887.db2.gz RYKDXOVPISGVEZ-NSHDSACASA-N 1 0 264.344 2.393 10 0 CEAERO C[C@@H](Cc1ccco1)[NH2+][C@@H]1CCCc2c1cnn2CCO ZINC000062771683 524928215 /nfs/dbraw/zinc/92/82/15/524928215.db2.gz ACBUKPVHVPNUHA-SWLSCSKDSA-N 1 0 289.379 2.067 10 0 CEAERO COc1ccc(OC[C@@H](C)C(N)=O)c(C[NH2+]C(C)(C)C)c1 ZINC000062727534 524966389 /nfs/dbraw/zinc/96/63/89/524966389.db2.gz QQUAXHAXEFJVTB-LLVKDONJSA-N 1 0 294.395 2.084 10 0 CEAERO Cc1cc(F)ccc1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054290352 524989378 /nfs/dbraw/zinc/98/93/78/524989378.db2.gz YKEGXVPRLNLOEX-LLVKDONJSA-N 1 0 250.317 2.462 10 0 CEAERO C[C@@H]([NH3+])[C@@H](Oc1cc(F)cc(F)c1)c1cnn(C)c1 ZINC000054932242 525003712 /nfs/dbraw/zinc/00/37/12/525003712.db2.gz OTAYHLUADMTLRY-AMIZOPFISA-N 1 0 267.279 2.166 10 0 CEAERO C[C@@H]([NH3+])c1cc(Cl)ccc1OCc1ncon1 ZINC000050209399 525024908 /nfs/dbraw/zinc/02/49/08/525024908.db2.gz FCIMPONVTWHFTB-SSDOTTSWSA-N 1 0 253.689 2.322 10 0 CEAERO C[C@@H]([NH3+])c1ccc(NC(=O)N2CCC[C@@H]2CCCO)cc1 ZINC000052783140 525027821 /nfs/dbraw/zinc/02/78/21/525027821.db2.gz QTSFFQXDEPRVAN-IUODEOHRSA-N 1 0 291.395 2.475 10 0 CEAERO Cc1ccccc1C(=O)CN1CCC[C@H]1C[NH+](C)C ZINC000061645737 525042179 /nfs/dbraw/zinc/04/21/79/525042179.db2.gz BQVUDGUZSWLCNI-AWEZNQCLSA-N 1 0 260.381 2.204 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C)N1C(=O)c1ccc(OC(F)F)cc1 ZINC000069132682 525097240 /nfs/dbraw/zinc/09/72/40/525097240.db2.gz SAVBDVSODWKIKH-NXEZZACHSA-N 1 0 284.306 2.110 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C)N1C(=O)c1cccc(Cl)c1 ZINC000069133077 525097608 /nfs/dbraw/zinc/09/76/08/525097608.db2.gz ZQPFXGANXNECEE-NXEZZACHSA-N 1 0 252.745 2.162 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H](C)N1C(=O)c1ccc2ccccc2c1O ZINC000069133389 525101416 /nfs/dbraw/zinc/10/14/16/525101416.db2.gz RELKXOWLMZRDRT-TXEJJXNPSA-N 1 0 284.359 2.368 10 0 CEAERO CS(=O)(=O)CC[C@@H](C[NH2+]C1CC1)Cc1cccc(F)c1 ZINC000052977399 525129588 /nfs/dbraw/zinc/12/95/88/525129588.db2.gz HWSKMWFPDRVAIR-CYBMUJFWSA-N 1 0 299.411 2.171 10 0 CEAERO C[C@@H](NC(=O)N1CC[C@@H](C[NH+](C)C)C1)c1cccs1 ZINC000187792678 525176317 /nfs/dbraw/zinc/17/63/17/525176317.db2.gz HTSHVIRIMMLXHI-NEPJUHHUSA-N 1 0 281.425 2.402 10 0 CEAERO COc1ccc([C@@H]([NH3+])[C@H]2CCCCO2)c(OC)c1OC ZINC000050962779 525192508 /nfs/dbraw/zinc/19/25/08/525192508.db2.gz ARKWOVPVBKRYLO-DGCLKSJQSA-N 1 0 281.352 2.281 10 0 CEAERO C[C@@H]1C[C@@H](OC(=O)CN2CCC[NH2+]CC2)CC(C)(C)C1 ZINC000061145863 525284080 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ZINC000052816465 525417489 /nfs/dbraw/zinc/41/74/89/525417489.db2.gz RDCZHYJHOVEJLM-HNNXBMFYSA-N 1 0 295.423 2.482 10 0 CEAERO Cc1cc([C@@H](C)NC(=O)[C@]2(C)CCC[NH2+]C2)c(C)o1 ZINC000062860414 525455282 /nfs/dbraw/zinc/45/52/82/525455282.db2.gz MUGLNKAJWZUEHQ-IAQYHMDHSA-N 1 0 264.369 2.463 10 0 CEAERO Cc1ccc(O[C@@H](C)C[C@@](C)([NH2+]C2CC2)C(N)=O)cc1C ZINC000068656036 525462101 /nfs/dbraw/zinc/46/21/01/525462101.db2.gz RGMJISFAUDGXJX-SUMWQHHRSA-N 1 0 290.407 2.457 10 0 CEAERO Cc1ccc(O[C@@H]2CCOC2)c(N2CCC([NH3+])CC2)c1 ZINC000070072881 525463565 /nfs/dbraw/zinc/46/35/65/525463565.db2.gz XHUKEJFVZQMVEO-CQSZACIVSA-N 1 0 276.380 2.090 10 0 CEAERO C[C@@H]1C[C@H]1[NH2+]CC(=O)Nc1ccccc1Br ZINC000052287699 525497221 /nfs/dbraw/zinc/49/72/21/525497221.db2.gz JWERSYKIOWUYKJ-LDYMZIIASA-N 1 0 283.169 2.386 10 0 CEAERO C[C@@H]([NH2+]Cc1cc(=O)oc2cc(O)ccc12)[C@H]1CCCO1 ZINC000183180189 525510809 /nfs/dbraw/zinc/51/08/09/525510809.db2.gz VHVKKIDSWVIJBT-QMTHXVAHSA-N 1 0 289.331 2.156 10 0 CEAERO C[C@@H]1Cc2ccccc2N1Cc1ccnc(C(N)=[NH2+])c1 ZINC000068760985 525535107 /nfs/dbraw/zinc/53/51/07/525535107.db2.gz JNQAHIDOGLZAPA-LLVKDONJSA-N 1 0 266.348 2.317 10 0 CEAERO Cc1ccn(-c2ncc(C[NH2+]C3CC3)cc2Cl)n1 ZINC000052885128 525570527 /nfs/dbraw/zinc/57/05/27/525570527.db2.gz NRXVEHYJWUSJGH-UHFFFAOYSA-N 1 0 262.744 2.481 10 0 CEAERO C[C@H]([NH2+][C@H](c1cccs1)C1CC1)C(=O)N(C)C ZINC000049956688 525599829 /nfs/dbraw/zinc/59/98/29/525599829.db2.gz BKJLGKSFPPTYNG-CABZTGNLSA-N 1 0 252.383 2.266 10 0 CEAERO COc1ccc2nc(NC(=O)[C@H](C)C3C[NH2+]C3)sc2c1 ZINC000163830154 525674120 /nfs/dbraw/zinc/67/41/20/525674120.db2.gz KVYOATZDHUIGLB-MRVPVSSYSA-N 1 0 291.376 2.099 10 0 CEAERO CSC[C@H](C)CNC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000069444182 525678245 /nfs/dbraw/zinc/67/82/45/525678245.db2.gz BKBRMCUAUNFWMT-MROQNXINSA-N 1 0 270.442 2.022 10 0 CEAERO C[C@@H](Nc1cc(Cl)ccc1C(N)=O)[C@@H]1CCC[NH2+]C1 ZINC000062785852 525697097 /nfs/dbraw/zinc/69/70/97/525697097.db2.gz NOZVMLRDUONEPN-NXEZZACHSA-N 1 0 281.787 2.239 10 0 CEAERO C[C@@H](Nc1cc(Cl)ccc1C(N)=O)[C@H]1CCC[NH2+]C1 ZINC000062785854 525697340 /nfs/dbraw/zinc/69/73/40/525697340.db2.gz NOZVMLRDUONEPN-ZJUUUORDSA-N 1 0 281.787 2.239 10 0 CEAERO Cc1ccnc(SCc2[nH+]c(NN)ccc2Cl)n1 ZINC000061640265 525709351 /nfs/dbraw/zinc/70/93/51/525709351.db2.gz WNBVTWZVUOMEQL-UHFFFAOYSA-N 1 0 281.772 2.411 10 0 CEAERO Cc1ccnc(S[C@H](c2cccnc2)[C@@H](C)[NH3+])n1 ZINC000051331527 525710357 /nfs/dbraw/zinc/71/03/57/525710357.db2.gz BYQXDUBVMKYDML-PWSUYJOCSA-N 1 0 260.366 2.361 10 0 CEAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COCCOC(C)C)cc1 ZINC000049556584 525729007 /nfs/dbraw/zinc/72/90/07/525729007.db2.gz SVUDPJMOMXFBQW-NVXWUHKLSA-N 1 0 295.423 2.448 10 0 CEAERO C[C@@H]1c2ccsc2CC[N@H+]1CC1(CO)CCOCC1 ZINC000052199535 525735936 /nfs/dbraw/zinc/73/59/36/525735936.db2.gz VECCCJGHOFPHKV-GFCCVEGCSA-N 1 0 281.421 2.456 10 0 CEAERO Cc1c(Cl)cccc1OCC(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000158014260 525783258 /nfs/dbraw/zinc/78/32/58/525783258.db2.gz RNHDZEOOGTYHQJ-DGCLKSJQSA-N 1 0 296.798 2.271 10 0 CEAERO Cc1ccc(-c2nnc(CC[NH2+]C(C)(C)C)o2)cn1 ZINC000050620545 525845421 /nfs/dbraw/zinc/84/54/21/525845421.db2.gz SBFLDGHAMJPBIL-UHFFFAOYSA-N 1 0 260.341 2.371 10 0 CEAERO Cc1ccc(-c2nnc(CC[NH2+]C3CC3)o2)cc1O ZINC000050620493 525845969 /nfs/dbraw/zinc/84/59/69/525845969.db2.gz DHMHVZNHKFMNED-UHFFFAOYSA-N 1 0 259.309 2.045 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@H]2CCC[NH2+]C2)s1 ZINC000049185317 525908376 /nfs/dbraw/zinc/90/83/76/525908376.db2.gz GSJYMOVPIQRABS-QWRGUYRKSA-N 1 0 252.383 2.233 10 0 CEAERO COc1cccc(CN(C)[C@@]2(C[NH3+])CCCSC2)c1 ZINC000061590134 525917639 /nfs/dbraw/zinc/91/76/39/525917639.db2.gz GXWITYNOONFZBT-OAHLLOKOSA-N 1 0 280.437 2.352 10 0 CEAERO Cc1ccc(-n2ncc(C[NH3+])c2-c2ccccc2)nn1 ZINC000049960990 525931779 /nfs/dbraw/zinc/93/17/79/525931779.db2.gz DXLSSVXRWLKVCE-UHFFFAOYSA-N 1 0 265.320 2.096 10 0 CEAERO Cc1ccc(-n2nnnc2C[NH2+]C(C)(C)C)cc1C ZINC000054744431 525936684 /nfs/dbraw/zinc/93/66/84/525936684.db2.gz RPRNDSARBQHEOU-UHFFFAOYSA-N 1 0 259.357 2.167 10 0 CEAERO Cc1ccc([C@H](O)CN(C)CC[NH+]2CCCC2)cc1C ZINC000063052921 525973083 /nfs/dbraw/zinc/97/30/83/525973083.db2.gz OFKBNOSGMOUDTB-QGZVFWFLSA-N 1 0 276.424 2.364 10 0 CEAERO COc1cccc(C[NH2+]C(C)C)c1OCc1nonc1C ZINC000070261324 526010568 /nfs/dbraw/zinc/01/05/68/526010568.db2.gz ZWWNEFCZNASJSC-UHFFFAOYSA-N 1 0 291.351 2.464 10 0 CEAERO CSc1ccc([C@@H]2[C@H]([NH3+])CC(=O)N2C2CC2)cc1 ZINC000070293889 526065108 /nfs/dbraw/zinc/06/51/08/526065108.db2.gz SLLOHVMFDGEKSG-TZMCWYRMSA-N 1 0 262.378 2.172 10 0 CEAERO Cc1cnc(N2CCC[C@H](C[NH2+]C(C)(C)C)C2)nc1 ZINC000063049346 526070071 /nfs/dbraw/zinc/07/00/71/526070071.db2.gz GBQZRYOJYVTIQT-CYBMUJFWSA-N 1 0 262.401 2.390 10 0 CEAERO COc1cccc(C[C@@]2(C[NH2+]C3CC3)CCOC2)c1 ZINC000054665187 526075110 /nfs/dbraw/zinc/07/51/10/526075110.db2.gz UXEFDAZVDSEVKE-MRXNPFEDSA-N 1 0 261.365 2.396 10 0 CEAERO COc1cccc(NC(=O)NC[C@H]2CCC[C@H](C)[NH2+]2)c1 ZINC000051574038 526191594 /nfs/dbraw/zinc/19/15/94/526191594.db2.gz MZAVYMBTZSPCFQ-WCQYABFASA-N 1 0 277.368 2.347 10 0 CEAERO Cc1ccc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)c(O)c1 ZINC000049560330 526210545 /nfs/dbraw/zinc/21/05/45/526210545.db2.gz HNZOUVBDKNDHLW-CYBMUJFWSA-N 1 0 278.396 2.407 10 0 CEAERO C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000061610858 526257603 /nfs/dbraw/zinc/25/76/03/526257603.db2.gz RZKSJSFWWIMEJZ-QEJZJMRPSA-N 1 0 260.381 2.424 10 0 CEAERO Cc1cc(C(=O)N2[C@@H](C)C[NH2+]C[C@@H]2C)c2ccccc2n1 ZINC000069133353 526263281 /nfs/dbraw/zinc/26/32/81/526263281.db2.gz HTJZINOSOCNWBO-STQMWFEESA-N 1 0 283.375 2.366 10 0 CEAERO O[C@H](C[NH2+]C12CC3CC(CC(C3)C1)C2)C(F)(F)F ZINC000068878467 526275606 /nfs/dbraw/zinc/27/56/06/526275606.db2.gz ZUFUIHPVYDLUAZ-LTMLNTECSA-N 1 0 263.303 2.468 10 0 CEAERO Cc1nn(C[C@H]2CCC[NH2+]C2)c(C)c1Br ZINC000050593337 526286119 /nfs/dbraw/zinc/28/61/19/526286119.db2.gz GJIJXHWLCRYXDX-JTQLQIEISA-N 1 0 272.190 2.262 10 0 CEAERO Cc1nn(C[C@H]2CC[C@H](C[NH2+]C3CC3)O2)c(C)c1C ZINC000052591646 526286198 /nfs/dbraw/zinc/28/61/98/526286198.db2.gz IVJARZTXPUWVFT-HUUCEWRRSA-N 1 0 263.385 2.108 10 0 CEAERO Cc1nn(Cc2ccc(F)cc2F)c(C)c1CC[NH3+] ZINC000054740958 526291989 /nfs/dbraw/zinc/29/19/89/526291989.db2.gz DKUGEDVBBVDPOJ-UHFFFAOYSA-N 1 0 265.307 2.328 10 0 CEAERO O[C@H]1CCCC[C@@H]1[NH2+]CCc1cc(F)cc(F)c1 ZINC000060718314 526303424 /nfs/dbraw/zinc/30/34/24/526303424.db2.gz YHARZRALDHOOQS-KBPBESRZSA-N 1 0 255.308 2.400 10 0 CEAERO Cc1csc(C[C@H]([NH3+])CCOCC(F)(F)F)n1 ZINC000055267887 526367472 /nfs/dbraw/zinc/36/74/72/526367472.db2.gz SVLJTJWATDRXBX-MRVPVSSYSA-N 1 0 268.304 2.290 10 0 CEAERO Fc1ccc2ccn(CC[NH2+]C[C@@H]3CCOC3)c2c1 ZINC000053528076 526376672 /nfs/dbraw/zinc/37/66/72/526376672.db2.gz FFBCEYUZYOVVNA-LBPRGKRZSA-N 1 0 262.328 2.407 10 0 CEAERO Fc1cccc(OCC[NH2+]C2CCOCC2)c1F ZINC000062768245 526397104 /nfs/dbraw/zinc/39/71/04/526397104.db2.gz JEYVIKXLHARWPG-UHFFFAOYSA-N 1 0 257.280 2.112 10 0 CEAERO Cc1csc(SCc2ccc[nH+]c2NN)n1 ZINC000052731363 526399402 /nfs/dbraw/zinc/39/94/02/526399402.db2.gz RVYOARPCQHYYCV-UHFFFAOYSA-N 1 0 252.368 2.424 10 0 CEAERO O=C(OC1CCC1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000050929207 526414698 /nfs/dbraw/zinc/41/46/98/526414698.db2.gz QNBAZACATPRWOC-UHFFFAOYSA-N 1 0 259.349 2.404 10 0 CEAERO c1ccc(C[C@H]2CN(Cc3ccncc3)CC[NH2+]2)cc1 ZINC000068694683 526476551 /nfs/dbraw/zinc/47/65/51/526476551.db2.gz HNOOYSDXNLGDET-KRWDZBQOSA-N 1 0 267.376 2.098 10 0 CEAERO c1ccc(C[C@@H]2CN(Cc3ccncc3)CC[NH2+]2)cc1 ZINC000068694681 526477278 /nfs/dbraw/zinc/47/72/78/526477278.db2.gz HNOOYSDXNLGDET-QGZVFWFLSA-N 1 0 267.376 2.098 10 0 CEAERO Cc1nc(Sc2cc(C[NH3+])c3ccccc3n2)n[nH]1 ZINC000068797091 526532732 /nfs/dbraw/zinc/53/27/32/526532732.db2.gz FFNSGJCMAFYPFI-UHFFFAOYSA-N 1 0 271.349 2.271 10 0 CEAERO c1cnc2c(c1)cccc2CN1CC[NH2+]C[C@@H]1C1CC1 ZINC000068695897 526543177 /nfs/dbraw/zinc/54/31/77/526543177.db2.gz XKGPLFSPQSTDDF-MRXNPFEDSA-N 1 0 267.376 2.419 10 0 CEAERO O=C(CC[C@@H]1CCCC[NH2+]1)NCCc1cccs1 ZINC000050940095 526548053 /nfs/dbraw/zinc/54/80/53/526548053.db2.gz VIOBAWRYWOQIJB-LBPRGKRZSA-N 1 0 266.410 2.329 10 0 CEAERO O=C(CC[C@@H]1CCCC[NH2+]1)NC[C@@H]1CC=CCC1 ZINC000050951949 526548131 /nfs/dbraw/zinc/54/81/31/526548131.db2.gz XMAFQFHUVQHJBR-KGLIPLIRSA-N 1 0 250.386 2.381 10 0 CEAERO O=C(CC[C@@H]1CCCC[NH2+]1)Nc1cccc2c[nH]nc21 ZINC000050945093 526548194 /nfs/dbraw/zinc/54/81/94/526548194.db2.gz FJHQCHZUTIEUDF-LBPRGKRZSA-N 1 0 272.352 2.424 10 0 CEAERO O=C(CC[C@@H]1CCCCO1)N1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000069388550 526549792 /nfs/dbraw/zinc/54/97/92/526549792.db2.gz BPHSFWQYBUVGHK-JKSUJKDBSA-N 1 0 294.439 2.326 10 0 CEAERO c1nc2ccccc2n1C[C@@H]1CC[C@H](C[NH2+]C2CC2)O1 ZINC000052576441 526609393 /nfs/dbraw/zinc/60/93/93/526609393.db2.gz CNXVDXGPSGZKLY-KGLIPLIRSA-N 1 0 271.364 2.336 10 0 CEAERO O=C(c1cc(F)cc(F)c1)N1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000051359025 526618877 /nfs/dbraw/zinc/61/88/77/526618877.db2.gz LRDWUOIABPQPNH-KGLIPLIRSA-N 1 0 280.318 2.321 10 0 CEAERO Cc1nc(CN(C)CCC[C@@H]2CCC[NH2+]2)cs1 ZINC000052764678 526839130 /nfs/dbraw/zinc/83/91/30/526839130.db2.gz NCOPTURRRIHIEL-LBPRGKRZSA-N 1 0 253.415 2.416 10 0 CEAERO NC(=[NH2+])C[C@@H](Sc1nnnn1C1CC1)c1ccccc1 ZINC000055024153 526816493 /nfs/dbraw/zinc/81/64/93/526816493.db2.gz MCJFFJTXRZDFAT-LLVKDONJSA-N 1 0 288.380 2.167 10 0 CEAERO O=C(c1cccn1C1CC[NH2+]CC1)N1C[C@H]2CC[C@@H]1C2 ZINC000054443870 526817327 /nfs/dbraw/zinc/81/73/27/526817327.db2.gz UIBDSTOJCRMKBR-GXTWGEPZSA-N 1 0 273.380 2.037 10 0 CEAERO Cc1nc(CNCC2([NH+](C)C)CCCCC2)c[nH]1 ZINC000054798187 526887151 /nfs/dbraw/zinc/88/71/51/526887151.db2.gz XQQBZQVLAPRLIW-UHFFFAOYSA-N 1 0 250.390 2.072 10 0 CEAERO Cc1nc(C[C@@H]2CCCO2)sc1C[NH2+]C1CC1 ZINC000052330862 526922028 /nfs/dbraw/zinc/92/20/28/526922028.db2.gz WIMVCHZVUSLYEH-NSHDSACASA-N 1 0 252.383 2.425 10 0 CEAERO CC(=O)Nc1cc(N[C@H](C)[C@@H]2CC[NH2+]C2)ccc1F ZINC000400444314 526928646 /nfs/dbraw/zinc/92/86/46/526928646.db2.gz NFMUTVZEHJICOJ-MWLCHTKSSA-N 1 0 265.332 2.194 10 0 CEAERO NC(=O)[C@@H](CCSc1cccc(Cl)c1)[NH2+]C1CC1 ZINC000062603389 526953434 /nfs/dbraw/zinc/95/34/34/526953434.db2.gz IIRIDLPBOYFKOZ-GFCCVEGCSA-N 1 0 284.812 2.428 10 0 CEAERO NC(=O)[C@@H](N)CC[NH+](C1CCCCC1)C1CCCCC1 ZINC000062437485 526955008 /nfs/dbraw/zinc/95/50/08/526955008.db2.gz KBIDKPHASCYNPM-HNNXBMFYSA-N 1 0 281.444 2.157 10 0 CEAERO O=C(N[C@@H]1COc2ccccc21)c1ccc2c(c1)C[NH2+]C2 ZINC000156770658 526962902 /nfs/dbraw/zinc/96/29/02/526962902.db2.gz JAZLCBRNGODYEA-OAHLLOKOSA-N 1 0 280.327 2.153 10 0 CEAERO Cc1nc(N2CCO[C@H](C)C2)sc1C[NH2+]CC(C)C ZINC000054995715 526972237 /nfs/dbraw/zinc/97/22/37/526972237.db2.gz PAGPOFJEOOLSKP-LLVKDONJSA-N 1 0 283.441 2.422 10 0 CEAERO Cc1nc(NC(=O)C2(C)CC[NH2+]CC2)sc1C ZINC000062841275 526974638 /nfs/dbraw/zinc/97/46/38/526974638.db2.gz MTVMIAXJLDOFQZ-UHFFFAOYSA-N 1 0 253.371 2.088 10 0 CEAERO NC(=O)c1c(Cl)cccc1N[C@H]1CCCC[C@@H]1[NH3+] ZINC000052906013 527019112 /nfs/dbraw/zinc/01/91/12/527019112.db2.gz LPNCJXZRPBVQBV-UWVGGRQHSA-N 1 0 267.760 2.121 10 0 CEAERO NC(=O)c1cc(Cl)ccc1N1C[C@@H]2C[C@H]([NH3+])CC[C@@H]2C1 ZINC000052858569 527026177 /nfs/dbraw/zinc/02/61/77/527026177.db2.gz KKLGTGYXJGHDAZ-JFGNBEQYSA-N 1 0 293.798 2.003 10 0 CEAERO NC(=O)c1ccc(NC[C@@H]([NH3+])c2ccccc2)c(F)c1 ZINC000062838643 527067143 /nfs/dbraw/zinc/06/71/43/527067143.db2.gz MVKKGOXZYUBGFI-CYBMUJFWSA-N 1 0 273.311 2.037 10 0 CEAERO [NH3+]C1(c2noc(C3CCOCC3)n2)CCCCCC1 ZINC000061673822 527134081 /nfs/dbraw/zinc/13/40/81/527134081.db2.gz LSGCYNXCOKMQCX-UHFFFAOYSA-N 1 0 265.357 2.472 10 0 CEAERO [NH3+]C1CCC(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1 ZINC000055134129 527138984 /nfs/dbraw/zinc/13/89/84/527138984.db2.gz BDCHDIXLJCSPIB-NEXFUWMNSA-N 1 0 280.412 2.064 10 0 CEAERO [NH3+]C1CCC(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000055143939 527142001 /nfs/dbraw/zinc/14/20/01/527142001.db2.gz XSNWVJFGPQKXJD-UHFFFAOYSA-N 1 0 273.785 2.384 10 0 CEAERO O=C(C[C@H]1CCCC[NH2+]1)N1CCCc2ccccc2C1 ZINC000062946088 527160593 /nfs/dbraw/zinc/16/05/93/527160593.db2.gz OGKCMBSEICITKK-MRXNPFEDSA-N 1 0 272.392 2.494 10 0 CEAERO [NH3+]CCCN(C(=O)[C@@H]1CCCCO1)c1ccccc1F ZINC000050958287 527177304 /nfs/dbraw/zinc/17/73/04/527177304.db2.gz UOXKGPYHBHKBOK-AWEZNQCLSA-N 1 0 280.343 2.077 10 0 CEAERO [NH3+]CCCc1noc(-c2cc(Cl)ccc2F)n1 ZINC000054139088 527183528 /nfs/dbraw/zinc/18/35/28/527183528.db2.gz UVYMLIWXWMCULT-UHFFFAOYSA-N 1 0 255.680 2.420 10 0 CEAERO [NH3+]CCc1ccc(-c2nc(-c3ccco3)no2)cc1 ZINC000054445112 527196228 /nfs/dbraw/zinc/19/62/28/527196228.db2.gz MCNYYHTYLUNOFQ-UHFFFAOYSA-N 1 0 255.277 2.498 10 0 CEAERO [NH3+]CCc1cccc(Br)c1O[C@H]1CCOC1 ZINC000069624469 527197935 /nfs/dbraw/zinc/19/79/35/527197935.db2.gz CUTWNWKSGHCCSI-JTQLQIEISA-N 1 0 286.169 2.118 10 0 CEAERO [NH3+]CCc1cnc(-c2ccc(F)c(Cl)c2)nc1 ZINC000062793516 527198014 /nfs/dbraw/zinc/19/80/14/527198014.db2.gz JAQNONYAYSIACD-UHFFFAOYSA-N 1 0 251.692 2.437 10 0 CEAERO [NH3+]C[C@@H](c1nc(-c2ccco2)no1)c1ccccc1 ZINC000061609482 527207141 /nfs/dbraw/zinc/20/71/41/527207141.db2.gz ILYSPEAOKCGEAW-LLVKDONJSA-N 1 0 255.277 2.420 10 0 CEAERO Cn1cc(C[C@@H]([NH3+])C2(c3ccccc3)CCOCC2)cn1 ZINC000062783600 527228794 /nfs/dbraw/zinc/22/87/94/527228794.db2.gz GVZFQWKVUFNRDF-MRXNPFEDSA-N 1 0 285.391 2.038 10 0 CEAERO [NH3+]C[C@H](Sc1ncnc2[nH]cnc21)c1ccc(F)cc1 ZINC000051036269 527228856 /nfs/dbraw/zinc/22/88/56/527228856.db2.gz XOHFLUNTUZOPQW-JTQLQIEISA-N 1 0 289.339 2.284 10 0 CEAERO Cn1cc(Cl)cc1C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000062839135 527240197 /nfs/dbraw/zinc/24/01/97/527240197.db2.gz MXUCLNMGZYQDJM-UHFFFAOYSA-N 1 0 293.754 2.268 10 0 CEAERO [NH3+]Cc1cc(CN2C(=O)CCc3cc(F)ccc32)ccn1 ZINC000068750998 527247522 /nfs/dbraw/zinc/24/75/22/527247522.db2.gz BMIDPIFGZKUGMP-UHFFFAOYSA-N 1 0 285.322 2.159 10 0 CEAERO [NH3+]Cc1cc(N2CCCC[C@@H]2CCO)nc2ccccc12 ZINC000068796876 527249108 /nfs/dbraw/zinc/24/91/08/527249108.db2.gz SKFJCFLLIDAJHY-CQSZACIVSA-N 1 0 285.391 2.435 10 0 CEAERO [NH3+]Cc1ccc(CSc2nnc3ccccn32)cc1 ZINC000061407226 527253813 /nfs/dbraw/zinc/25/38/13/527253813.db2.gz PCJCGEBZZDNXGR-UHFFFAOYSA-N 1 0 270.361 2.480 10 0 CEAERO [NH3+]Cc1nc(COc2cccc(F)c2F)cs1 ZINC000062654473 527265722 /nfs/dbraw/zinc/26/57/22/527265722.db2.gz VFHCUMRDHCRBRO-UHFFFAOYSA-N 1 0 256.277 2.459 10 0 CEAERO NNc1ccc(C(=O)Nc2cccc3ncccc32)c[nH+]1 ZINC000051089934 527278179 /nfs/dbraw/zinc/27/81/79/527278179.db2.gz DATGSWZAPIOUMQ-UHFFFAOYSA-N 1 0 279.303 2.168 10 0 CEAERO NNc1[nH+]cc(C(=O)NCc2ccccc2F)cc1Cl ZINC000051096625 527286878 /nfs/dbraw/zinc/28/68/78/527286878.db2.gz ISCCINZYNXPHML-UHFFFAOYSA-N 1 0 294.717 2.090 10 0 CEAERO NNc1[nH+]cccc1COc1cccc(F)c1F ZINC000062654039 527288423 /nfs/dbraw/zinc/28/84/23/527288423.db2.gz PDYCRQWSRNVPHB-UHFFFAOYSA-N 1 0 251.236 2.224 10 0 CEAERO [NH3+][C@H]1CC[C@@H]2CN(C(=O)Cc3cccc(Cl)c3)C[C@@H]2C1 ZINC000052945279 527414032 /nfs/dbraw/zinc/41/40/32/527414032.db2.gz QZIZWBMRLWGZRR-IPYPFGDCSA-N 1 0 292.810 2.468 10 0 CEAERO Cn1ccnc1CC[NH2+]CCCOc1ccccc1 ZINC000061815779 527429887 /nfs/dbraw/zinc/42/98/87/527429887.db2.gz VOABGHXCCXPURT-UHFFFAOYSA-N 1 0 259.353 2.021 10 0 CEAERO Cc1nccn1CCOc1cc(F)ccc1[C@@H](C)[NH3+] ZINC000062745140 527433434 /nfs/dbraw/zinc/43/34/34/527433434.db2.gz MAICJIWALKFMPU-SNVBAGLBSA-N 1 0 263.316 2.429 10 0 CEAERO Cn1cc[nH+]c1NCc1ccc(-c2cc[nH]n2)cc1 ZINC000050606246 527447939 /nfs/dbraw/zinc/44/79/39/527447939.db2.gz CIXFXTWWPBKBLH-UHFFFAOYSA-N 1 0 253.309 2.422 10 0 CEAERO Nc1cc(F)ccc1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000062822886 527455029 /nfs/dbraw/zinc/45/50/29/527455029.db2.gz AVZZKIASZOYDNF-UHFFFAOYSA-N 1 0 291.370 2.108 10 0 CEAERO Cc1ncn(C[C@@H]2CC[C@@H](C[NH2+]C(C)(C)C)O2)c1C ZINC000052593727 527461439 /nfs/dbraw/zinc/46/14/39/527461439.db2.gz YXZWUPSHNJGJOU-KBPBESRZSA-N 1 0 265.401 2.436 10 0 CEAERO Nc1ccc(O[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000061702164 527497245 /nfs/dbraw/zinc/49/72/45/527497245.db2.gz LRDZGDOCXPGUBO-HNNXBMFYSA-N 1 0 269.348 2.317 10 0 CEAERO OCCn1cc(C[NH2+]C2CCC(C(F)(F)F)CC2)cn1 ZINC000068691064 527576379 /nfs/dbraw/zinc/57/63/79/527576379.db2.gz XZOKNYBKCGSCSY-UHFFFAOYSA-N 1 0 291.317 2.086 10 0 CEAERO O=C([O-])CC[C@H]1CCCC[N@@H+]1CCC[NH+]1CCCC1 ZINC000050925829 527599248 /nfs/dbraw/zinc/59/92/48/527599248.db2.gz ULVVEYUYPAPOIJ-CQSZACIVSA-N 1 0 268.401 2.192 10 0 CEAERO OC[C@H](Cc1ccccc1)[NH2+]CC1(O)CCCCCC1 ZINC000063219990 527607690 /nfs/dbraw/zinc/60/76/90/527607690.db2.gz NQXMLCOKYBHXLE-INIZCTEOSA-N 1 0 277.408 2.265 10 0 CEAERO O[C@@H](CCN1CCC[N@@H+]2CCC[C@@H]2C1)c1ccccc1F ZINC000062942198 527644406 /nfs/dbraw/zinc/64/44/06/527644406.db2.gz YOVZVCTXBWDPFH-PBHICJAKSA-N 1 0 292.398 2.419 10 0 CEAERO O[C@@H](COc1ccc(C[NH2+]C2CC2)cc1)C(F)(F)F ZINC000068875925 527660258 /nfs/dbraw/zinc/66/02/58/527660258.db2.gz MJEZGEJTIZVUSD-LBPRGKRZSA-N 1 0 275.270 2.241 10 0 CEAERO FC(F)(F)CN1CCN([C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000069267207 527667874 /nfs/dbraw/zinc/66/78/74/527667874.db2.gz YENYHMPRMFVFKQ-AWEZNQCLSA-N 1 0 299.340 2.011 10 0 CEAERO FC(F)(F)[C@H]1CCCC[C@H]1[NH2+]CCCN1CCOCC1 ZINC000069389097 527678435 /nfs/dbraw/zinc/67/84/35/527678435.db2.gz RRFBEQPIVRGYHW-QWHCGFSZSA-N 1 0 294.361 2.419 10 0 CEAERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CCC(=O)N1CCOCC1 ZINC000159271060 527809655 /nfs/dbraw/zinc/80/96/55/527809655.db2.gz OLMBVRNLJKARAI-BZUAXINKSA-N 1 0 296.455 2.286 10 0 CEAERO CCCC1(CNC(=O)N[C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000177270982 528052917 /nfs/dbraw/zinc/05/29/17/528052917.db2.gz QVAVLIOHQZKAFI-CYBMUJFWSA-N 1 0 267.417 2.350 10 0 CEAERO CCC[C@@H](C(=O)N1CCO[C@H](c2cccs2)C1)[NH+](C)C ZINC000155003075 528839941 /nfs/dbraw/zinc/83/99/41/528839941.db2.gz BGRMHRIXUPAGFK-STQMWFEESA-N 1 0 296.436 2.378 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)C2(CCOC)CCCC2)C1 ZINC000177541857 529087198 /nfs/dbraw/zinc/08/71/98/529087198.db2.gz DSJXHAAYCOLBLP-AWEZNQCLSA-N 1 0 282.428 2.184 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)NCC2(CC)CCC2)C1 ZINC000176440072 529089475 /nfs/dbraw/zinc/08/94/75/529089475.db2.gz XELQYGAQTTYTQT-ZDUSSCGKSA-N 1 0 267.417 2.350 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CCc1ccoc1 ZINC000177331903 529095550 /nfs/dbraw/zinc/09/55/50/529095550.db2.gz 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CCS(=O)(=O)c1ccc(N[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089105818 625289100 /nfs/dbraw/zinc/28/91/00/625289100.db2.gz ALRNOGSKLVCNJO-RISCZKNCSA-N 1 0 282.409 2.020 10 0 CEAERO C[C@@H](O)CCN(C(=O)OC(C)(C)C)c1ccc(C[NH3+])nc1 ZINC000757132526 622801003 /nfs/dbraw/zinc/80/10/03/622801003.db2.gz BJHFXQJZXXAAFT-LLVKDONJSA-N 1 0 295.383 2.053 10 0 CEAERO CC[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1OC ZINC000234038691 622909747 /nfs/dbraw/zinc/90/97/47/622909747.db2.gz BFCAHKMBQMCLKZ-BNOWGMLFSA-N 1 0 276.380 2.118 10 0 CEAERO CCC(CC)[C@@H]([NH3+])CS(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000757147524 622916865 /nfs/dbraw/zinc/91/68/65/622916865.db2.gz CKPRFMIMPZCHSH-SCRDCRAPSA-N 1 0 290.473 2.058 10 0 CEAERO CC1(C)C[C@@H](NC(=O)[C@@]2(F)CC[NH2+]C2)c2ccccc2O1 ZINC000160346485 623200851 /nfs/dbraw/zinc/20/08/51/623200851.db2.gz IIRDJXZYNWYBEZ-MLGOLLRUSA-N 1 0 292.354 2.107 10 0 CEAERO CCOC(=O)c1cccnc1N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000050163814 623328817 /nfs/dbraw/zinc/32/88/17/623328817.db2.gz WBSXTPBWSOQWCB-VXGBXAGGSA-N 1 0 277.368 2.058 10 0 CEAERO COc1ccc(CN2CC[C@H]([NH3+])[C@H]2C)cc1Cl ZINC000261560777 623377963 /nfs/dbraw/zinc/37/79/63/623377963.db2.gz UVPDVSVFLVYAER-SKDRFNHKSA-N 1 0 254.761 2.270 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1cccc2ccccc21 ZINC000261573548 623382111 /nfs/dbraw/zinc/38/21/11/623382111.db2.gz ATWLNMQZUKTRAV-ABAIWWIYSA-N 1 0 254.333 2.402 10 0 CEAERO C[C@@H]([NH3+])CC(=O)NC1(c2cccc(Br)c2)CC1 ZINC000261825971 623486526 /nfs/dbraw/zinc/48/65/26/623486526.db2.gz MUNKONJBRMLDLR-SECBINFHSA-N 1 0 297.196 2.292 10 0 CEAERO C[C@H]1CN(C(=O)Cc2ccc(C(F)(F)F)cc2)C[C@@H]1[NH3+] ZINC000235668142 625705288 /nfs/dbraw/zinc/70/52/88/625705288.db2.gz VRBFYEVONYFCKT-CABZTGNLSA-N 1 0 286.297 2.054 10 0 CEAERO C[NH2+]C[C@H]1CCN(c2ncnc3sc(C)cc32)C1 ZINC000104366922 624324719 /nfs/dbraw/zinc/32/47/19/624324719.db2.gz HHTVCWWWQXDMKC-SNVBAGLBSA-N 1 0 262.382 2.045 10 0 CEAERO C[NH2+]C[C@@H]1CCCN(c2cnc3ccccc3n2)C1 ZINC000052017837 624730859 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CC[N@H+](CC(=O)[O-])C1CC([NH2+][C@@H]2CCCC[C@@H]2C2CC2)C1 ZINC000263531963 625205007 /nfs/dbraw/zinc/20/50/07/625205007.db2.gz WYLFBCNYGDEDSF-QDIHITRGSA-N 1 0 294.439 2.482 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+][C@H]2CCCC[C@H]2C2CC2)C1 ZINC000263531961 625205041 /nfs/dbraw/zinc/20/50/41/625205041.db2.gz WYLFBCNYGDEDSF-CKUJCDMFSA-N 1 0 294.439 2.482 10 0 CEAERO O=C(/C=C\c1ccccc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000103977620 627367572 /nfs/dbraw/zinc/36/75/72/627367572.db2.gz GNSDRLPWJUHOEN-NGFZNPONSA-N 1 0 256.349 2.099 10 0 CEAERO CC(=O)[C@@H]1CCC[N@H+](CC[C@@H](O)c2ccccc2)C1 ZINC000311395468 627651163 /nfs/dbraw/zinc/65/11/63/627651163.db2.gz ZKVOXDVIZGOWBQ-HZPDHXFCSA-N 1 0 261.365 2.411 10 0 CEAERO C[C@H](C[C@H]1CCC(=O)N1)[NH2+][C@H]1CCc2ccccc21 ZINC000311411657 627659894 /nfs/dbraw/zinc/65/98/94/627659894.db2.gz ISKXCGTVIZSHOR-KYOSRNDESA-N 1 0 258.365 2.321 10 0 CEAERO CC(=O)[C@@H]1CCCN(CC(=O)Nc2cccc(C)c2)C1 ZINC000111689751 627827649 /nfs/dbraw/zinc/82/76/49/627827649.db2.gz LNJUWJXKKAAWGX-CQSZACIVSA-N 1 0 274.364 2.235 10 0 CEAERO CC(=O)[C@H]1CCCN(CC(=O)Nc2cccc(C)c2)C1 ZINC000111689748 627827712 /nfs/dbraw/zinc/82/77/12/627827712.db2.gz LNJUWJXKKAAWGX-AWEZNQCLSA-N 1 0 274.364 2.235 10 0 CEAERO C[C@H]1CN(Cc2cccc3c2NCCC3)C[C@H]1[NH+](C)C ZINC000312461439 628275139 /nfs/dbraw/zinc/27/51/39/628275139.db2.gz FGPQHZISHUHEDF-XJKSGUPXSA-N 1 0 273.424 2.427 10 0 CEAERO COCC1(c2noc([C@@H]3CCC[NH2+][C@@H]3C)n2)CCCC1 ZINC000312931173 628564127 /nfs/dbraw/zinc/56/41/27/628564127.db2.gz QJFCQYTYVJSZQB-VXGBXAGGSA-N 1 0 279.384 2.383 10 0 CEAERO COCC1(c2noc([C@@H]3CC[C@@H]([NH3+])C3)n2)CCCC1 ZINC000312943883 628566551 /nfs/dbraw/zinc/56/65/51/628566551.db2.gz HLDRLSHCOFOXBT-GHMZBOCLSA-N 1 0 265.357 2.123 10 0 CEAERO CCOCCCN1C[C@H]2CCCC[N@@H+]2C[C@@H]1CC ZINC000094433022 628714803 /nfs/dbraw/zinc/71/48/03/628714803.db2.gz YMPANZZEQSGVSX-LSDHHAIUSA-N 1 0 254.418 2.362 10 0 CEAERO Cc1ccc([C@@H](C)[NH2+]C2CCN(CCO)CC2)s1 ZINC000399083611 628774159 /nfs/dbraw/zinc/77/41/59/628774159.db2.gz SXWAAHBQZYDSOA-GFCCVEGCSA-N 1 0 268.426 2.164 10 0 CEAERO CC(C)(C)c1csc(C[NH2+]CC2CC(O)C2)n1 ZINC000094966242 628885863 /nfs/dbraw/zinc/88/58/63/628885863.db2.gz JIWKIGAMKJIOJX-UHFFFAOYSA-N 1 0 254.399 2.301 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(F)c(Cl)c1 ZINC000261541807 628936556 /nfs/dbraw/zinc/93/65/56/628936556.db2.gz BLUHYXANNBCOTB-HQJQHLMTSA-N 1 0 256.708 2.041 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)Nc1ccccc1Cl ZINC000261551904 628936670 /nfs/dbraw/zinc/93/66/70/628936670.db2.gz MODLKYXKOZPNQY-PSASIEDQSA-N 1 0 253.733 2.293 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)Cc1cccc2ccccc21 ZINC000261630951 628953070 /nfs/dbraw/zinc/95/30/70/628953070.db2.gz BIEJUEOIMHMURE-BLLLJJGKSA-N 1 0 268.360 2.330 10 0 CEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1cc(C)ccc1F ZINC000233706322 628956451 /nfs/dbraw/zinc/95/64/51/628956451.db2.gz GYCHSCRZMBAKLR-NWDGAFQWSA-N 1 0 251.301 2.000 10 0 CEAERO Cc1sc2ncnc(N3CC[C@@]4(CC[NH2+]C4)C3)c2c1C ZINC000261662317 628972274 /nfs/dbraw/zinc/97/22/74/628972274.db2.gz FBQUVWRNGPHRIU-OAHLLOKOSA-N 1 0 288.420 2.498 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)c1cc(-c2cccc(Cl)c2)no1 ZINC000261697243 629099072 /nfs/dbraw/zinc/09/90/72/629099072.db2.gz IWZUIHOQYDEHEI-VIFPVBQESA-N 1 0 293.754 2.333 10 0 CEAERO Cc1cnc([C@H](C)NC(=O)[C@@H]([NH3+])CC2CCCCC2)o1 ZINC000261778495 629190040 /nfs/dbraw/zinc/19/00/40/629190040.db2.gz PHXNXBFQIMWHNB-AAEUAGOBSA-N 1 0 279.384 2.458 10 0 CEAERO CC(C)(O)c1ccc(C[NH2+][C@@H]2CCC[C@@H](O)C2)cc1 ZINC000311370494 629190289 /nfs/dbraw/zinc/19/02/89/629190289.db2.gz UBRJALKJOWJCTD-HUUCEWRRSA-N 1 0 263.381 2.307 10 0 CEAERO CC(C)(C)c1ccnc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000261818566 629255565 /nfs/dbraw/zinc/25/55/65/629255565.db2.gz TUOQSOSDEHONKL-RWMBFGLXSA-N 1 0 274.412 2.338 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)[C@@]1(C)CCCc2ccccc21 ZINC000261851682 629280856 /nfs/dbraw/zinc/28/08/56/629280856.db2.gz XJUAPFINZNGYOO-LRDDRELGSA-N 1 0 260.381 2.005 10 0 CEAERO Cc1cc(NC[C@@H]2[NH2+]CCc3ccccc32)nc(C)n1 ZINC000261877635 629293949 /nfs/dbraw/zinc/29/39/49/629293949.db2.gz ZWHWFRJITRNMJP-HNNXBMFYSA-N 1 0 268.364 2.392 10 0 CEAERO COC[C@@H]([NH3+])C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000262278564 630598075 /nfs/dbraw/zinc/59/80/75/630598075.db2.gz LIAFEVMWFYXPRO-LLVKDONJSA-N 1 0 290.285 2.094 10 0 CEAERO C[C@H](NC(=O)C(C)(C)[NH3+])c1ccc(F)cc1Cl ZINC000237541281 631207990 /nfs/dbraw/zinc/20/79/90/631207990.db2.gz SMSAIZGBVSJGMI-ZETCQYMHSA-N 1 0 258.724 2.394 10 0 CEAERO CCN(CC)c1ccc([C@@H]2C[NH2+]C[C@@H]2C(=O)OC)cc1 ZINC000757183461 631830402 /nfs/dbraw/zinc/83/04/02/631830402.db2.gz DSWRWYOSGLWDRO-GJZGRUSLSA-N 1 0 276.380 2.009 10 0 CEAERO CC[NH+](CC)CCNC(=O)c1sc2c(c1OC)CCC2 ZINC000223475570 639425481 /nfs/dbraw/zinc/42/54/81/639425481.db2.gz HSGMMOAHZGRYBR-UHFFFAOYSA-N 1 0 296.436 2.317 10 0 CEAERO CO[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000224419529 639448967 /nfs/dbraw/zinc/44/89/67/639448967.db2.gz QGRBLMUZPASKSY-TUKIKUTGSA-N 1 0 297.420 2.308 10 0 CEAERO CCCCCC[N@@H+]1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000157987992 639557179 /nfs/dbraw/zinc/55/71/79/639557179.db2.gz UBBLNQQWSDXKOR-HNNXBMFYSA-N 1 0 265.401 2.473 10 0 CEAERO OC[C@@H]([NH2+]Cc1ccc(O)c(F)c1)c1ccccc1 ZINC000226692682 639563061 /nfs/dbraw/zinc/56/30/61/639563061.db2.gz SRMGMMALGLXELV-CQSZACIVSA-N 1 0 261.296 2.355 10 0 CEAERO Cc1cc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])cnc1Cl ZINC000227428529 639591833 /nfs/dbraw/zinc/59/18/33/639591833.db2.gz YZYQAYVFKYMCRB-ONGXEEELSA-N 1 0 267.760 2.357 10 0 CEAERO CCOCCN1CC[N@H+](C[Si](C)(C)C)C[C@@H]1CC ZINC000171746220 639729068 /nfs/dbraw/zinc/72/90/68/639729068.db2.gz UZOZFDNEHSPGHL-AWEZNQCLSA-N 1 0 272.509 2.297 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cc(Cl)nc(Cl)c2)C1 ZINC000062969327 639800822 /nfs/dbraw/zinc/80/08/22/639800822.db2.gz RLZIMWMDKCUNLN-SECBINFHSA-N 1 0 288.178 2.165 10 0 CEAERO Cc1cnc([C@@H](C)NC(=O)CC2(C[NH3+])CCCCC2)o1 ZINC000231743416 639876081 /nfs/dbraw/zinc/87/60/81/639876081.db2.gz AMWKMERRQHNVEU-GFCCVEGCSA-N 1 0 279.384 2.460 10 0 CEAERO CCCn1cc(NC(=O)NC[C@H](C)[NH+](CC)CC)cn1 ZINC000174138819 639903182 /nfs/dbraw/zinc/90/31/82/639903182.db2.gz CPVCXAMDCBQMCH-LBPRGKRZSA-N 1 0 281.404 2.145 10 0 CEAERO CC(=O)[C@H]1CCC[N@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000232135874 639904653 /nfs/dbraw/zinc/90/46/53/639904653.db2.gz RIIKMYNIBDTSBF-GJZGRUSLSA-N 1 0 253.386 2.229 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1c1nc(-c2ccc(O)c(F)c2)no1 ZINC000232348978 639914799 /nfs/dbraw/zinc/91/47/99/639914799.db2.gz WLGIZRHTCUESKE-UWVGGRQHSA-N 1 0 277.299 2.424 10 0 CEAERO [NH3+]C[C@]12CCC[C@H]1CN(c1ccc(C(F)(F)F)nn1)C2 ZINC000383246689 640345549 /nfs/dbraw/zinc/34/55/49/640345549.db2.gz CVTXTYPTLNLIKV-CABZTGNLSA-N 1 0 286.301 2.061 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1C(=O)Nc1nc2c(s1)CCC2 ZINC000089396611 640384850 /nfs/dbraw/zinc/38/48/50/640384850.db2.gz VNVRGJCLYHDPIO-VHSXEESVSA-N 1 0 279.409 2.335 10 0 CEAERO [NH3+]CCN(Cc1cccc(Cl)c1)C[C@@H]1CCCO1 ZINC000032116252 640445519 /nfs/dbraw/zinc/44/55/19/640445519.db2.gz FUKLFSVTNRZHJG-AWEZNQCLSA-N 1 0 268.788 2.280 10 0 CEAERO Cc1ccccc1[C@@H](O)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000252626540 641580936 /nfs/dbraw/zinc/58/09/36/641580936.db2.gz ZWBYBGLYZLYOIH-RDJZCZTQSA-N 1 0 274.408 2.199 10 0 CEAERO C[N@H+](C[C@@H](O)c1cccc(C(F)(F)F)c1)[C@H]1CCOC1 ZINC000252952563 641599393 /nfs/dbraw/zinc/59/93/93/641599393.db2.gz FUIHTMGBYKDELT-QWHCGFSZSA-N 1 0 289.297 2.460 10 0 CEAERO COC[C@@H](C)C(=O)O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183190183 641718018 /nfs/dbraw/zinc/71/80/18/641718018.db2.gz JYVRPFZBCKLWEG-ZBFHGGJFSA-N 1 0 291.391 2.477 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]C[C@@H]2CCOC2)C1 ZINC000083799223 642273813 /nfs/dbraw/zinc/27/38/13/642273813.db2.gz CCUUGJUXHGRIRH-KGLIPLIRSA-N 1 0 298.427 2.260 10 0 CEAERO COC(=O)[C@@H]1C[N@H+](Cc2cc(C)nc(Cl)c2)C[C@@H]1C ZINC000320540682 642545616 /nfs/dbraw/zinc/54/56/16/642545616.db2.gz JPDVXNUJHRYMEB-JOYOIKCWSA-N 1 0 282.771 2.284 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]2CN(c3nccc(C(F)(F)F)n3)C[C@@H]21 ZINC000230133703 642564936 /nfs/dbraw/zinc/56/49/36/642564936.db2.gz RJDYTSOYSVLJPX-LPEHRKFASA-N 1 0 286.301 2.059 10 0 CEAERO Cc1cc(C[N@@H+]2CC[C@H](CCO)C2)cc(Cl)n1 ZINC000320777601 642815776 /nfs/dbraw/zinc/81/57/76/642815776.db2.gz UXMQOJVTIDJRNT-LLVKDONJSA-N 1 0 254.761 2.248 10 0 CEAERO COC[C@H](C)C(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000117101604 645669321 /nfs/dbraw/zinc/66/93/21/645669321.db2.gz MPMOJPLIFOEAEM-ZFWWWQNUSA-N 1 0 277.364 2.087 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)C[C@@H]([NH3+])C2CC2)cc1F ZINC000124107735 649397366 /nfs/dbraw/zinc/39/73/66/649397366.db2.gz OJRVNEXQAMSHMQ-IINYFYTJSA-N 1 0 264.344 2.439 10 0 CEAERO O[C@@H](C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)c1ccccc1 ZINC000128256072 651396517 /nfs/dbraw/zinc/39/65/17/651396517.db2.gz IWAFDOWBDFGHKN-IXDOHACOSA-N 1 0 275.392 2.347 10 0 CEAERO CCc1nsc(N2CCC([NH2+]CC3CC3)CC2)n1 ZINC000130255641 652234164 /nfs/dbraw/zinc/23/41/64/652234164.db2.gz RRUVGHRATNTLDX-UHFFFAOYSA-N 1 0 266.414 2.069 10 0 CEAERO COc1cc(C)nc(CN2CCC[C@@H](C(C)=O)C2)c1 ZINC000214118738 652354587 /nfs/dbraw/zinc/35/45/87/652354587.db2.gz LGKHMKQAXZRSLI-CYBMUJFWSA-N 1 0 262.353 2.200 10 0 CEAERO COc1c(C[NH2+]CCOc2cccc(C)c2)c(C)nn1C ZINC000134285776 652809072 /nfs/dbraw/zinc/80/90/72/652809072.db2.gz MQKANOIGWILYCA-UHFFFAOYSA-N 1 0 289.379 2.214 10 0 CEAERO C[NH2+][C@@H]1CCC[C@@H]1S(=O)(=O)c1cccc(Cl)c1 ZINC000081981956 177911324 /nfs/dbraw/zinc/91/13/24/177911324.db2.gz WHJOHRVAEORWHG-NEPJUHHUSA-N 1 0 273.785 2.254 10 0 CEAERO CC[NH2+][C@@H]1CCC(C)(C)C[C@@H]1S(=O)(=O)C(C)C ZINC000081981753 177911558 /nfs/dbraw/zinc/91/15/58/177911558.db2.gz AANUTHSCYHMDEK-NEPJUHHUSA-N 1 0 261.431 2.366 10 0 CEAERO C[NH2+][C@@H](CS(=O)(=O)C1CCCC1)c1ccccc1 ZINC000081989242 177914991 /nfs/dbraw/zinc/91/49/91/177914991.db2.gz UCLHGXRIFNHYQJ-AWEZNQCLSA-N 1 0 267.394 2.305 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1[S@](=O)c1cccc(Br)c1 ZINC000081995036 177916250 /nfs/dbraw/zinc/91/62/50/177916250.db2.gz NSJQVYKURWTJEX-PGUXBMHVSA-N 1 0 288.210 2.437 10 0 CEAERO C[NH2+][C@H]1CCCCC[C@@H]1S(=O)(=O)C1CCCC1 ZINC000082011668 177917475 /nfs/dbraw/zinc/91/74/75/177917475.db2.gz CDPLNYYKEXZRMD-STQMWFEESA-N 1 0 259.415 2.265 10 0 CEAERO C[NH2+][C@@H](C[S@](=O)c1ccc(Cl)cc1)C1CC1 ZINC000082000349 177917947 /nfs/dbraw/zinc/91/79/47/177917947.db2.gz MYNYTSVEEOQVNN-BLLLJJGKSA-N 1 0 257.786 2.446 10 0 CEAERO COc1cc(F)c([C@H](O)CC[NH2+]C2CC2)cc1F ZINC000082295944 177950471 /nfs/dbraw/zinc/95/04/71/177950471.db2.gz MUXYWXDNPXPMQI-GFCCVEGCSA-N 1 0 257.280 2.149 10 0 CEAERO [NH3+]C[C@@H](O[C@H]1CCOC1)c1ccc(Br)cc1 ZINC000082452963 178031125 /nfs/dbraw/zinc/03/11/25/178031125.db2.gz HIYNQFOOYSCYDX-NWDGAFQWSA-N 1 0 286.169 2.254 10 0 CEAERO CN(c1ccc(Br)cn1)[C@@H]1CCC[NH2+]C1 ZINC000082499966 178065006 /nfs/dbraw/zinc/06/50/06/178065006.db2.gz FHSFJKWQJNSLMD-SNVBAGLBSA-N 1 0 270.174 2.032 10 0 CEAERO COc1ccc(-c2cc(C[NH3+])sn2)cc1OC ZINC000082555127 178089671 /nfs/dbraw/zinc/08/96/71/178089671.db2.gz FHIQTOGDSUBKOE-UHFFFAOYSA-N 1 0 250.323 2.286 10 0 CEAERO CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)N(C)C2CC2)C12CCCC2 ZINC000121223568 365537358 /nfs/dbraw/zinc/53/73/58/365537358.db2.gz OWDDLWWLDMGCLN-CABCVRRESA-N 1 0 294.439 2.277 10 0 CEAERO CC[C@H](C)[NH2+]CCSc1nnc(N(C)C)s1 ZINC000082580229 178118965 /nfs/dbraw/zinc/11/89/65/178118965.db2.gz UPCBLZAKZPGAEO-QMMMGPOBSA-N 1 0 260.432 2.084 10 0 CEAERO COc1ccc(NCC[NH+](C)C)cc1Br ZINC000082624487 178139803 /nfs/dbraw/zinc/13/98/03/178139803.db2.gz WZUFUBAKJVCUQV-UHFFFAOYSA-N 1 0 273.174 2.431 10 0 CEAERO C[C@H]1C[C@@]2(CCC(=O)N2c2cccc(F)c2)CC[NH2+]1 ZINC000033358720 361777900 /nfs/dbraw/zinc/77/79/00/361777900.db2.gz HJUYUEUGWBGQKT-XHDPSFHLSA-N 1 0 262.328 2.463 10 0 CEAERO C[NH2+][C@@H](C)C[S@@](=O)c1ccc(Br)cc1 ZINC000082747028 178268958 /nfs/dbraw/zinc/26/89/58/178268958.db2.gz DMHMXVDWDCCVIN-RTHLEPHNSA-N 1 0 276.199 2.165 10 0 CEAERO C[C@H]([NH3+])CC[S@](=O)c1ccccc1Br ZINC000082747250 178269399 /nfs/dbraw/zinc/26/93/99/178269399.db2.gz YKZHVKAGGHVDJN-RMLUDKJBSA-N 1 0 276.199 2.294 10 0 CEAERO C[S@](=O)C[C@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000082755575 178278164 /nfs/dbraw/zinc/27/81/64/178278164.db2.gz HYCWZCBZCYHBHZ-XXFAHNHDSA-N 1 0 251.273 2.084 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@H]1S(=O)(=O)c1cccs1 ZINC000082790073 178295053 /nfs/dbraw/zinc/29/50/53/178295053.db2.gz ZZRVSPQXHLGCJW-NXEZZACHSA-N 1 0 259.396 2.039 10 0 CEAERO Fc1cc(Br)ccc1N1CCC[NH2+]CC1 ZINC000083092234 178337376 /nfs/dbraw/zinc/33/73/76/178337376.db2.gz RBTRKKPELDYPKM-UHFFFAOYSA-N 1 0 273.149 2.388 10 0 CEAERO C[C@H](C[C@@](C)([NH3+])CO)Sc1ncccc1Cl ZINC000082905466 178329606 /nfs/dbraw/zinc/32/96/06/178329606.db2.gz YKIFWMSPWAPKFK-LDYMZIIASA-N 1 0 260.790 2.315 10 0 CEAERO CCO[C@H]1C[C@H]([N@H+](C)CCCNC(C)=O)C12CCCC2 ZINC000125643890 365680138 /nfs/dbraw/zinc/68/01/38/365680138.db2.gz WPSGVAPQSBCCOQ-GJZGRUSLSA-N 1 0 282.428 2.182 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@H]1N1CCc2ccccc2C1=O ZINC000096601856 185108217 /nfs/dbraw/zinc/10/82/17/185108217.db2.gz OADHGNNJXXIXKF-HUUCEWRRSA-N 1 0 258.365 2.345 10 0 CEAERO COc1cccc(F)c1-c1nc(CC[NH3+])cs1 ZINC000083391895 178398498 /nfs/dbraw/zinc/39/84/98/178398498.db2.gz PSPYRBULUJCMCA-UHFFFAOYSA-N 1 0 252.314 2.459 10 0 CEAERO C[NH+](C)C[C@H]1CN(C(=O)CC2CCCCCC2)CCO1 ZINC000176608434 282136860 /nfs/dbraw/zinc/13/68/60/282136860.db2.gz QCHGCNNCBYZORC-HNNXBMFYSA-N 1 0 282.428 2.136 10 0 CEAERO CCN[C@@](C)(C[C@H](C)[N@H+](CCC(C)C)C1CC1)C(N)=O ZINC000096818489 185115553 /nfs/dbraw/zinc/11/55/53/185115553.db2.gz PADNYABCJTVRQM-BBRMVZONSA-N 1 0 283.460 2.129 10 0 CEAERO CC(C)[NH+]1CCN(c2ccc(N)cc2Cl)CC1 ZINC000036170617 361834714 /nfs/dbraw/zinc/83/47/14/361834714.db2.gz DUCYBBWAIUSBIR-UHFFFAOYSA-N 1 0 253.777 2.453 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H](c2ccccc2Br)O1 ZINC000036673168 361850590 /nfs/dbraw/zinc/85/05/90/361850590.db2.gz CQFGVXSNTPGXLO-LDYMZIIASA-N 1 0 256.143 2.499 10 0 CEAERO [NH3+]CCCc1nnc(-c2c(F)cc(F)cc2F)o1 ZINC000083418901 178426577 /nfs/dbraw/zinc/42/65/77/178426577.db2.gz WDOHEVRMGAYRJW-UHFFFAOYSA-N 1 0 257.215 2.045 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@@H]2CCC[NH2+][C@H]2CC1 ZINC000096958462 185141407 /nfs/dbraw/zinc/14/14/07/185141407.db2.gz UZGIGGQFEUWWNK-RYUDHWBXSA-N 1 0 254.374 2.386 10 0 CEAERO [NH3+]C1(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)CCCC1 ZINC000037616678 361912890 /nfs/dbraw/zinc/91/28/90/361912890.db2.gz CPIJHHYXXUEDJR-ZJUUUORDSA-N 1 0 278.318 2.495 10 0 CEAERO C[N@@H+]1CC[C@]2(C1)C[C@H](O)c1cc(Br)ccc1O2 ZINC000097004181 185150536 /nfs/dbraw/zinc/15/05/36/185150536.db2.gz CYXSQJHHFFYTMC-WCQYABFASA-N 1 0 298.180 2.339 10 0 CEAERO Brc1ccc(-n2cncc2[C@@H]2CC[NH2+]C2)nc1 ZINC000097014100 185151240 /nfs/dbraw/zinc/15/12/40/185151240.db2.gz KXMKUOIAZQUTJJ-SECBINFHSA-N 1 0 293.168 2.107 10 0 CEAERO O=C(Cc1cccc(F)c1)N1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000037916030 361963714 /nfs/dbraw/zinc/96/37/14/361963714.db2.gz CUSPVCTYOSHDEW-MRXNPFEDSA-N 1 0 290.382 2.359 10 0 CEAERO CC1(C)CC(Nc2nc(Cl)ncc2N)CC(C)(C)[NH2+]1 ZINC000039287025 361987457 /nfs/dbraw/zinc/98/74/57/361987457.db2.gz GKMYWARXNAVMLM-UHFFFAOYSA-N 1 0 283.807 2.433 10 0 CEAERO COC(=O)c1ccc(N2CC[NH2+][C@H](CC(C)C)C2)cc1 ZINC000039952538 361990888 /nfs/dbraw/zinc/99/08/88/361990888.db2.gz HGBMNKCBROFOTC-CQSZACIVSA-N 1 0 276.380 2.298 10 0 CEAERO COC(=O)c1ccccc1N1CC[NH2+][C@@H](CC(C)C)C1 ZINC000039952546 361990941 /nfs/dbraw/zinc/99/09/41/361990941.db2.gz UVEOWPOCQGZIRG-ZDUSSCGKSA-N 1 0 276.380 2.298 10 0 CEAERO [NH3+]CC1([C@H](O)c2cscc2Br)CC1 ZINC000307173405 539169164 /nfs/dbraw/zinc/16/91/64/539169164.db2.gz RIJMJWBCYVPASF-MRVPVSSYSA-N 1 0 262.172 2.283 10 0 CEAERO Cn1nccc1-c1cc(Cl)n(-c2ccncc2)n1 ZINC000725257484 539203124 /nfs/dbraw/zinc/20/31/24/539203124.db2.gz RKCHPVIQOVYGQD-UHFFFAOYSA-N 1 0 259.700 2.321 10 0 CEAERO CCCC(=O)N1CCC[C@H]([C@@]23CC[C@H]2CC[NH2+]3)C1 ZINC000725263450 539212147 /nfs/dbraw/zinc/21/21/47/539212147.db2.gz HDEDUEOIPZLOOS-KCQAQPDRSA-N 1 0 250.386 2.167 10 0 CEAERO Cn1cc(C[NH2+][C@@H]2CCC[C@H](O)C2)c(C(C)(C)C)n1 ZINC000126530497 539231625 /nfs/dbraw/zinc/23/16/25/539231625.db2.gz QXNATAFKSNWQSI-OLZOCXBDSA-N 1 0 265.401 2.111 10 0 CEAERO C[C@H]1CCC[C@H](CNC(=O)C2CCC([NH3+])CC2)C1 ZINC000225396789 539234228 /nfs/dbraw/zinc/23/42/28/539234228.db2.gz UCHSLTDCXJVMJJ-FEPKRQSRSA-N 1 0 252.402 2.446 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)C1 ZINC000247475832 282200099 /nfs/dbraw/zinc/20/00/99/282200099.db2.gz SHOXFGXZPHSFRO-DYEKYZERSA-N 1 0 294.345 2.231 10 0 CEAERO CCc1ccc([C@@H](C)[NH2+]CC(=O)NCCCOC)cc1 ZINC000042267421 362074717 /nfs/dbraw/zinc/07/47/17/362074717.db2.gz MIRFMWWZPUVCFN-CYBMUJFWSA-N 1 0 278.396 2.052 10 0 CEAERO O=C(NCc1ccccc1Br)[C@H]1CCC[NH2+]C1 ZINC000042419485 362093336 /nfs/dbraw/zinc/09/33/36/362093336.db2.gz IFBYXCLFIPSSNZ-NSHDSACASA-N 1 0 297.196 2.065 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](O)C2)C12CCC2 ZINC000227115848 539295200 /nfs/dbraw/zinc/29/52/00/539295200.db2.gz XTGGRPWXHCNLJI-YIYPIFLZSA-N 1 0 253.386 2.227 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1c1ccc(C(F)(F)F)cn1 ZINC000044559713 362154878 /nfs/dbraw/zinc/15/48/78/362154878.db2.gz KVYWIFRMFSFVDG-JTQLQIEISA-N 1 0 259.275 2.418 10 0 CEAERO CCC(C)(C)[NH2+]C[C@H](O)COC(=O)c1ccccc1F ZINC000025972213 343388555 /nfs/dbraw/zinc/38/85/55/343388555.db2.gz GEMZLPWAZAYNNW-NSHDSACASA-N 1 0 283.343 2.122 10 0 CEAERO C[C@H](CNC(=O)OCc1ccccc1)[NH+]1CCCC1 ZINC000036077127 343422743 /nfs/dbraw/zinc/42/27/43/343422743.db2.gz DGDHHTPPJJUFQC-CYBMUJFWSA-N 1 0 262.353 2.397 10 0 CEAERO COC(=O)C[C@H]([NH3+])c1ccc(Br)cc1F ZINC000036670197 343423650 /nfs/dbraw/zinc/42/36/50/343423650.db2.gz GDYZFUYWCOOSBV-VIFPVBQESA-N 1 0 276.105 2.151 10 0 CEAERO CCOC(=O)c1ccc(-c2cccc(C[NH3+])n2)cc1 ZINC000034113503 343418739 /nfs/dbraw/zinc/41/87/39/343418739.db2.gz WERJSLJYUGFUPH-UHFFFAOYSA-N 1 0 256.305 2.384 10 0 CEAERO CCOc1ccc(C[NH2+][C@H]2CCC[C@@H](O)C2)cc1OC ZINC000037163807 343425985 /nfs/dbraw/zinc/42/59/85/343425985.db2.gz QUQCGSKKESEUES-UONOGXRCSA-N 1 0 279.380 2.487 10 0 CEAERO COc1ccc(C[NH2+][C@H]2CCC[C@H](O)C2)c(OC)c1OC ZINC000037164394 343426119 /nfs/dbraw/zinc/42/61/19/343426119.db2.gz QLNVQJRXESGHGN-STQMWFEESA-N 1 0 295.379 2.106 10 0 CEAERO CC[NH+](CC)CCNC(=O)N[C@H](C)c1ccc(C)o1 ZINC000047578100 362214716 /nfs/dbraw/zinc/21/47/16/362214716.db2.gz YLAQIMCITLUEQA-GFCCVEGCSA-N 1 0 267.373 2.290 10 0 CEAERO Cc1ccc(OCCN(C)C(=O)C2CCC([NH3+])CC2)cc1 ZINC000037802360 343430931 /nfs/dbraw/zinc/43/09/31/343430931.db2.gz ZVKFNTGBCGXQLN-UHFFFAOYSA-N 1 0 290.407 2.350 10 0 CEAERO CCCCCC(=O)NCC[NH2+]C[C@H](O)c1ccccc1 ZINC000040504181 343437919 /nfs/dbraw/zinc/43/79/19/343437919.db2.gz OSLWYHFDPZURCD-HNNXBMFYSA-N 1 0 278.396 2.006 10 0 CEAERO O[C@]1(Cc2ccc(Br)s2)CCC[NH2+]C1 ZINC000083504309 178534815 /nfs/dbraw/zinc/53/48/15/178534815.db2.gz WGZKNWRICRGNRA-JTQLQIEISA-N 1 0 276.199 2.168 10 0 CEAERO Cc1ccccc1CNC(=O)Cc1ccc(C[NH3+])cc1 ZINC000083510659 178537093 /nfs/dbraw/zinc/53/70/93/178537093.db2.gz FEENOMVPIDGZSZ-UHFFFAOYSA-N 1 0 268.360 2.313 10 0 CEAERO Cc1csc2c1ncnc2N1CCCC[C@H]([NH3+])C1 ZINC000082126541 539324509 /nfs/dbraw/zinc/32/45/09/539324509.db2.gz NMTRJDHBLOQFDS-JTQLQIEISA-N 1 0 262.382 2.317 10 0 CEAERO COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2O)c(F)c1 ZINC000228599195 539349970 /nfs/dbraw/zinc/34/99/70/539349970.db2.gz QRWUJMJRZJVKNQ-FZMZJTMJSA-N 1 0 253.317 2.085 10 0 CEAERO CCc1nc(CN(C)C(=O)[C@@H]2CCC[C@H]2C[NH3+])cs1 ZINC000328493604 539351532 /nfs/dbraw/zinc/35/15/32/539351532.db2.gz TVQLNOJRAWFLTD-CMPLNLGQSA-N 1 0 281.425 2.039 10 0 CEAERO CC(C)[C@H](C)C[NH2+]C[C@@H](O)COCc1ccco1 ZINC000081058603 344038339 /nfs/dbraw/zinc/03/83/39/344038339.db2.gz ASGYODYYJCURDD-CHWSQXEVSA-N 1 0 255.358 2.039 10 0 CEAERO CCOC(=O)c1cccc(NC(=O)[C@H]2C[C@H](C)CC[NH2+]2)c1 ZINC000126972079 187273912 /nfs/dbraw/zinc/27/39/12/187273912.db2.gz KERKZXYEWOVCHW-BXUZGUMPSA-N 1 0 290.363 2.190 10 0 CEAERO CC[C@@H](C[NH3+])c1nc2cc(Br)cnc2[nH]1 ZINC000083602601 178612918 /nfs/dbraw/zinc/61/29/18/178612918.db2.gz RZHWNMNUJDBFOG-LURJTMIESA-N 1 0 269.146 2.173 10 0 CEAERO Cc1ccc([C@H](C)[NH2+]CCN2C(=O)CCC2=O)cc1C ZINC000089684883 344127734 /nfs/dbraw/zinc/12/77/34/344127734.db2.gz KURBYBJBCOCATI-ZDUSSCGKSA-N 1 0 274.364 2.103 10 0 CEAERO Cc1ccccc1CC[NH2+]C[C@H](O)COCc1ccco1 ZINC000094183209 344235427 /nfs/dbraw/zinc/23/54/27/344235427.db2.gz COXZNYZXUAGVPG-INIZCTEOSA-N 1 0 289.375 2.298 10 0 CEAERO [NH3+]Cc1ncc(Br)cc1C(F)(F)F ZINC000095630961 344237357 /nfs/dbraw/zinc/23/73/57/344237357.db2.gz YBEPYGLYWWTDLC-UHFFFAOYSA-N 1 0 255.037 2.322 10 0 CEAERO CCNC(=O)CC[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000128899692 344338794 /nfs/dbraw/zinc/33/87/94/344338794.db2.gz KBFNIMIJNVZZKI-VHSXEESVSA-N 1 0 266.307 2.223 10 0 CEAERO Cc1c(Cl)cccc1NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129574963 344345123 /nfs/dbraw/zinc/34/51/23/344345123.db2.gz XPILIGHDGTWIGT-UHFFFAOYSA-N 1 0 295.814 2.271 10 0 CEAERO CCCC[C@@H](CC)CNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129691223 344346568 /nfs/dbraw/zinc/34/65/68/344346568.db2.gz DZQCXOZWSHTVIO-CQSZACIVSA-N 1 0 283.460 2.003 10 0 CEAERO COc1cc(NC[C@@H]2CCC[NH2+]C2)ccc1NC(C)=O ZINC000130895726 344355237 /nfs/dbraw/zinc/35/52/37/344355237.db2.gz BUTDNFWKJOCDNJ-GFCCVEGCSA-N 1 0 277.368 2.065 10 0 CEAERO CSCCCCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000153643599 344430227 /nfs/dbraw/zinc/43/02/27/344430227.db2.gz BUPJSOFCTAVOPM-CHWSQXEVSA-N 1 0 285.457 2.008 10 0 CEAERO COc1ccc(N(C)C(=O)[C@@]2(C)CCCC[NH2+]2)cc1 ZINC000133396775 344368673 /nfs/dbraw/zinc/36/86/73/344368673.db2.gz HVCLBCZOWYXZAY-OAHLLOKOSA-N 1 0 262.353 2.190 10 0 CEAERO [NH3+]CC[C@@](O)(COCc1ccccc1)c1ccccc1 ZINC000137329146 344388012 /nfs/dbraw/zinc/38/80/12/344388012.db2.gz YZFCZQOFFBKVMJ-QGZVFWFLSA-N 1 0 271.360 2.440 10 0 CEAERO CC(C)(C[NH3+])Oc1ccc(I)cc1 ZINC000168061543 344479787 /nfs/dbraw/zinc/47/97/87/344479787.db2.gz ARFSTMJILUMNPU-UHFFFAOYSA-N 1 0 291.132 2.407 10 0 CEAERO C[C@H](C[C@H](C)[NH3+])Nc1nnc(C(F)(F)F)s1 ZINC000168120465 344479837 /nfs/dbraw/zinc/47/98/37/344479837.db2.gz XXQGTFOOVZJUTO-CRCLSJGQSA-N 1 0 254.281 2.095 10 0 CEAERO CCC(CC)N(CCOC)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000170833184 344490841 /nfs/dbraw/zinc/49/08/41/344490841.db2.gz GFUAOVYTFMTMOR-CQSZACIVSA-N 1 0 299.459 2.317 10 0 CEAERO CC(C)COc1cccc(C(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000170860218 344491794 /nfs/dbraw/zinc/49/17/94/344491794.db2.gz OFHBUPYTRFVENM-HNNXBMFYSA-N 1 0 290.407 2.498 10 0 CEAERO CCC[C@@](C)(O)C[NH2+]CCOc1ccccc1OC ZINC000230707855 344573556 /nfs/dbraw/zinc/57/35/56/344573556.db2.gz VWGVFNHLMRZKEC-OAHLLOKOSA-N 1 0 267.369 2.215 10 0 CEAERO CS[C@@H]1CCC[C@H](NC(=O)C2CCC([NH3+])CC2)C1 ZINC000225504284 344545854 /nfs/dbraw/zinc/54/58/54/344545854.db2.gz VCRKSLZVQBBGDG-IFWUJCSASA-N 1 0 270.442 2.294 10 0 CEAERO CCS[C@@H]1CCC[C@@H]1NC(=O)C1CCC([NH3+])CC1 ZINC000225554616 344546574 /nfs/dbraw/zinc/54/65/74/344546574.db2.gz CARRJYYVMCDHSS-IFWUJCSASA-N 1 0 270.442 2.294 10 0 CEAERO CS[C@@H]1CCC[C@@H](NC(=O)C[C@@H]([NH3+])C(C)C)C1 ZINC000225811949 344547944 /nfs/dbraw/zinc/54/79/44/344547944.db2.gz KFVHMGWGZHPTAN-IJLUTSLNSA-N 1 0 258.431 2.150 10 0 CEAERO Cc1ccc(-c2noc(C[N@@H+]3CC[C@@H](CCO)C3)n2)cc1 ZINC000227566371 344554179 /nfs/dbraw/zinc/55/41/79/344554179.db2.gz HBJLZNBVUZTLEO-ZDUSSCGKSA-N 1 0 287.363 2.249 10 0 CEAERO CCCCOC[C@@H](O)C[NH2+]Cc1cc(F)ccc1F ZINC000227892707 344557448 /nfs/dbraw/zinc/55/74/48/344557448.db2.gz QEWUSNJTXRJPEC-ZDUSSCGKSA-N 1 0 273.323 2.232 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]2CN(c3ncnc4ccccc43)C[C@H]21 ZINC000228552578 344561151 /nfs/dbraw/zinc/56/11/51/344561151.db2.gz RCNNHXSCGQIFEJ-IACUBPJLSA-N 1 0 268.364 2.193 10 0 CEAERO C[C@@H]([NH3+])C(=O)Nc1cccc(Cl)c1Br ZINC000235159298 344589820 /nfs/dbraw/zinc/58/98/20/344589820.db2.gz MEGZOXLXVGVZDO-RXMQYKEDSA-N 1 0 277.549 2.388 10 0 CEAERO [NH3+]C[C@@H](O)c1ccc(Br)c(Cl)c1F ZINC000236205152 344594638 /nfs/dbraw/zinc/59/46/38/344594638.db2.gz NRTZFLIDXHRHQS-ZCFIWIBFSA-N 1 0 268.513 2.234 10 0 CEAERO COc1ccccc1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000051536353 362430558 /nfs/dbraw/zinc/43/05/58/362430558.db2.gz VLGUKIXDBKOKNA-ZDUSSCGKSA-N 1 0 289.379 2.397 10 0 CEAERO C[C@@H](C[NH3+])Nc1cc(F)c(Br)cc1F ZINC000232161012 344576734 /nfs/dbraw/zinc/57/67/34/344576734.db2.gz UCKVAIAZSOQDCD-YFKPBYRVSA-N 1 0 265.101 2.486 10 0 CEAERO CC(C)C[C@H](CN(C)C)[NH2+]C[C@@H](O)CC1CCCC1 ZINC000232130257 344576817 /nfs/dbraw/zinc/57/68/17/344576817.db2.gz TXBFKDYLLPIJQB-CVEARBPZSA-N 1 0 270.461 2.494 10 0 CEAERO CC(C)(C)c1ccc(C[NH2+][C@@H]2CCCNC2=O)cc1 ZINC000050393806 362417134 /nfs/dbraw/zinc/41/71/34/362417134.db2.gz JAZGWIATRKESKN-CQSZACIVSA-N 1 0 260.381 2.352 10 0 CEAERO C[C@](O)(CN1CC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000052097508 362465501 /nfs/dbraw/zinc/46/55/01/362465501.db2.gz LUWCDCKCNOHSJH-SFHVURJKSA-N 1 0 288.435 2.454 10 0 CEAERO O=C(CC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21)NC1CCCC1 ZINC000052441770 362471426 /nfs/dbraw/zinc/47/14/26/362471426.db2.gz ZLNPTKYTBUOMDH-LSDHHAIUSA-N 1 0 280.412 2.079 10 0 CEAERO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H](C)C(C)(C)C ZINC000247256999 344619928 /nfs/dbraw/zinc/61/99/28/344619928.db2.gz AUBAHUATKVGMBL-OLZOCXBDSA-N 1 0 269.433 2.403 10 0 CEAERO [NH3+][C@H](c1cn[nH]c1)c1cscc1Br ZINC000307154046 344720301 /nfs/dbraw/zinc/72/03/01/344720301.db2.gz CFUDHCUPNWPHCP-MRVPVSSYSA-N 1 0 258.144 2.282 10 0 CEAERO [NH3+]C[C@H]1C[C@H]1c1ccc(I)cc1 ZINC000307336266 344721920 /nfs/dbraw/zinc/72/19/20/344721920.db2.gz HFNIKUAYDHNWDS-SCZZXKLOSA-N 1 0 273.117 2.353 10 0 CEAERO CCC[C@@H]1C[C@H]1[NH2+]C[C@H](O)COCc1ccccc1F ZINC000300576832 344700776 /nfs/dbraw/zinc/70/07/76/344700776.db2.gz CZIKJFXEYJBDEY-IVMMDQJWSA-N 1 0 281.371 2.481 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)Cc2ccc(Br)o2)C1 ZINC000306676039 344716329 /nfs/dbraw/zinc/71/63/29/344716329.db2.gz VCCVRZMVDOVDJH-YUMQZZPRSA-N 1 0 270.126 2.057 10 0 CEAERO C[C@@H]([NH3+])[C@](C)(O)c1cscc1Br ZINC000306906845 344718181 /nfs/dbraw/zinc/71/81/81/344718181.db2.gz CJBJOVIXNJBGKS-XRGYYRRGSA-N 1 0 250.161 2.065 10 0 CEAERO C[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000306993081 344719272 /nfs/dbraw/zinc/71/92/72/344719272.db2.gz YCVFITACUMUYOW-SNVBAGLBSA-N 1 0 273.117 2.498 10 0 CEAERO CCn1cnnc1[C@@H]1C[N@H+](C[C@H]2CC=CCC2)CCO1 ZINC000328641738 344757269 /nfs/dbraw/zinc/75/72/69/344757269.db2.gz QTZVBBAWQOZKAU-KBPBESRZSA-N 1 0 276.384 2.028 10 0 CEAERO C[C@H](CC1CCOCC1)[NH2+]C[C@@H]1CCc2nccn2C1 ZINC000328622631 344755630 /nfs/dbraw/zinc/75/56/30/344755630.db2.gz BKJDGFAUVSXEIU-HIFRSBDPSA-N 1 0 277.412 2.240 10 0 CEAERO CC(C)C1([NH2+]C[C@H](O)COc2ccccc2C#N)CC1 ZINC000379457218 344821219 /nfs/dbraw/zinc/82/12/19/344821219.db2.gz VTWBJMGNMBJYPV-AWEZNQCLSA-N 1 0 274.364 2.076 10 0 CEAERO [NH3+]C[C@@H](Nc1ccc(Br)cc1)[C@H]1CCOC1 ZINC000083765142 178744149 /nfs/dbraw/zinc/74/41/49/178744149.db2.gz QEYPJHCGZXPQLA-JOYOIKCWSA-N 1 0 285.185 2.225 10 0 CEAERO CCCC1CCC([NH2+][C@@H]2CCCN(CCO)C2)CC1 ZINC000384796903 344829094 /nfs/dbraw/zinc/82/90/94/344829094.db2.gz XTPZKKSPIVHQTF-UYSNPLJNSA-N 1 0 268.445 2.392 10 0 CEAERO COC(C)(C)CCN1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000336784331 365802664 /nfs/dbraw/zinc/80/26/64/365802664.db2.gz OZLZUHTTZAXXQF-KBPBESRZSA-N 1 0 254.418 2.360 10 0 CEAERO C[C@H](C[NH3+])Cc1ccc(I)cc1 ZINC000083851373 178753920 /nfs/dbraw/zinc/75/39/20/178753920.db2.gz LZRNVGTTYPOOMJ-QMMMGPOBSA-N 1 0 275.133 2.429 10 0 CEAERO C[C@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2C#N)C[NH2+]1 ZINC000399022935 344856148 /nfs/dbraw/zinc/85/61/48/344856148.db2.gz IRRXWWGECBURTB-GXSJLCMTSA-N 1 0 260.297 2.019 10 0 CEAERO CC[C@](C)(C[NH3+])NC(=O)c1ccc2ccccc2n1 ZINC000083876798 178756614 /nfs/dbraw/zinc/75/66/14/178756614.db2.gz CRDCFAHMVCXGAM-OAHLLOKOSA-N 1 0 257.337 2.092 10 0 CEAERO CC(C)(C)c1nc(CN2CC[C@H]3OCC[NH2+][C@H]3C2)cs1 ZINC000404095662 344878092 /nfs/dbraw/zinc/87/80/92/344878092.db2.gz XVCMBSCSCGOBKA-QWHCGFSZSA-N 1 0 295.452 2.003 10 0 CEAERO [NH3+]Cc1ccc(CN2C(=O)c3ccccc3C2=O)cc1F ZINC000404150174 344878728 /nfs/dbraw/zinc/87/87/28/344878728.db2.gz RPIGMKBWYZGBNI-UHFFFAOYSA-N 1 0 284.290 2.081 10 0 CEAERO CCC[S@](=O)C[C@H]([NH2+]C)c1ccc2c(c1)OCCCO2 ZINC000084009768 178771922 /nfs/dbraw/zinc/77/19/22/178771922.db2.gz QKOXKCYTOOJMFA-RNODOKPDSA-N 1 0 297.420 2.267 10 0 CEAERO C[C@@H]1C[C@@H]([NH2+]CCN2CCCC2=O)CC(C)(C)C1 ZINC000405485256 344884856 /nfs/dbraw/zinc/88/48/56/344884856.db2.gz LMBSKIUFDVTZEL-CHWSQXEVSA-N 1 0 252.402 2.413 10 0 CEAERO CC[C@H](C[S@@](=O)c1ccc2c(c1)CCC2)[NH2+]C ZINC000084031023 178773061 /nfs/dbraw/zinc/77/30/61/178773061.db2.gz GAKFQGLYZSXRRP-DYVFJYSZSA-N 1 0 251.395 2.281 10 0 CEAERO CC[C@@H](C[S@](=O)c1ccc2c(c1)CCC2)[NH2+]C ZINC000084031024 178773097 /nfs/dbraw/zinc/77/30/97/178773097.db2.gz GAKFQGLYZSXRRP-SUMWQHHRSA-N 1 0 251.395 2.281 10 0 CEAERO CCCC[S@@](=O)C[C@H]([NH3+])c1ccc2c(c1)OCCO2 ZINC000084038776 178776856 /nfs/dbraw/zinc/77/68/56/178776856.db2.gz JYUSQEOSSARPNU-BUXKBTBVSA-N 1 0 283.393 2.006 10 0 CEAERO C[NH2+][C@H]1CCC[C@@H]1N=c1[nH]c2ccc(F)cc2s1 ZINC000584614423 344965308 /nfs/dbraw/zinc/96/53/08/344965308.db2.gz KVMQAXWNXTZZON-UWVGGRQHSA-N 1 0 265.357 2.410 10 0 CEAERO C[NH+](C)CC[C@H](C(N)=O)c1cccc2ccccc21 ZINC000584620554 344967076 /nfs/dbraw/zinc/96/70/76/344967076.db2.gz IJQQKIXHFXFRDX-HNNXBMFYSA-N 1 0 256.349 2.360 10 0 CEAERO Cc1cc(-c2cnc(C(F)(F)F)nc2)cc(C[NH3+])n1 ZINC000584629721 344969208 /nfs/dbraw/zinc/96/92/08/344969208.db2.gz PHZXQXXMGMONKM-UHFFFAOYSA-N 1 0 268.242 2.325 10 0 CEAERO [NH3+][C@@H]1CN(Cc2ccccc2)C[C@@H]1[C@H]1CCCCO1 ZINC000584633714 344970409 /nfs/dbraw/zinc/97/04/09/344970409.db2.gz IZMCMZQESIQXER-ARFHVFGLSA-N 1 0 260.381 2.015 10 0 CEAERO CN1C(=O)[C@H]([NH3+])[C@@H]2CCCC[C@@H]2[C@H]2CCCC[C@H]21 ZINC000584640101 344971806 /nfs/dbraw/zinc/97/18/06/344971806.db2.gz PKGATXGVSMIGRV-DHGKCCLASA-N 1 0 250.386 2.151 10 0 CEAERO C[C@H](O)[C@@]1(C)COC(C)(C)C[N@@H+]1Cc1ccccc1 ZINC000584645733 344972700 /nfs/dbraw/zinc/97/27/00/344972700.db2.gz CMORFXOTVLUKQA-XJKSGUPXSA-N 1 0 263.381 2.437 10 0 CEAERO CCN(C)C(=O)CSc1cccc([C@H](C)[NH3+])c1 ZINC000084122963 178798032 /nfs/dbraw/zinc/79/80/32/178798032.db2.gz BSFZQHYYWRHQCG-JTQLQIEISA-N 1 0 252.383 2.277 10 0 CEAERO CN(Cc1ccc(F)cc1)C(=O)CC1([NH3+])CCCC1 ZINC000084164424 178811017 /nfs/dbraw/zinc/81/10/17/178811017.db2.gz FYXITOFBDUTYQL-UHFFFAOYSA-N 1 0 264.344 2.446 10 0 CEAERO Cc1noc(C)c1CN(C)C(=O)CC1([NH3+])CCCCC1 ZINC000084182212 178817080 /nfs/dbraw/zinc/81/70/80/178817080.db2.gz SWGVRPYNZVTHJG-UHFFFAOYSA-N 1 0 279.384 2.302 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)N1CCC[C@H](C(F)(F)F)C1 ZINC000054307528 362526501 /nfs/dbraw/zinc/52/65/01/362526501.db2.gz AUJPLXGJBJUYNK-QWRGUYRKSA-N 1 0 278.318 2.177 10 0 CEAERO COCCOc1cccc(NC(=O)C[C@H]2CCC[NH2+]C2)c1 ZINC000054307598 362526626 /nfs/dbraw/zinc/52/66/26/362526626.db2.gz QDKYKCDQVPOLPR-CYBMUJFWSA-N 1 0 292.379 2.040 10 0 CEAERO COCC[N@H+](CC(C)C)[C@H](C)C(=O)OC(C)(C)C ZINC000084227197 178828910 /nfs/dbraw/zinc/82/89/10/178828910.db2.gz RHVITVQPJMDEMW-GFCCVEGCSA-N 1 0 259.390 2.321 10 0 CEAERO CC[NH2+][C@H](Cc1ccsc1)C[C@H]1CCS(=O)(=O)C1 ZINC000097060538 185519666 /nfs/dbraw/zinc/51/96/66/185519666.db2.gz FMOXAYDZTQRNCZ-CHWSQXEVSA-N 1 0 287.450 2.094 10 0 CEAERO C[C@H]1CC[C@H](C[NH3+])[C@H](S(=O)(=O)c2ccccc2F)C1 ZINC000084268624 178835927 /nfs/dbraw/zinc/83/59/27/178835927.db2.gz SXOPLHXGDRKTOE-MISXGVKJSA-N 1 0 285.384 2.363 10 0 CEAERO C[C@H](CC[NH3+])S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000084269502 178836077 /nfs/dbraw/zinc/83/60/77/178836077.db2.gz CSHWHADEHDKIRF-LLVKDONJSA-N 1 0 269.410 2.495 10 0 CEAERO CCC[NH2+][C@](C)(C[C@@H](C)SCC(C)C)C(N)=O ZINC000084313649 178856262 /nfs/dbraw/zinc/85/62/62/178856262.db2.gz PRDVJFCSRCTQOQ-DGCLKSJQSA-N 1 0 260.447 2.398 10 0 CEAERO CCc1nn(C)c(C[C@@H]([NH3+])CC)c1Br ZINC000084295758 178848769 /nfs/dbraw/zinc/84/87/69/178848769.db2.gz XVPWYVOPYJJJCZ-ZETCQYMHSA-N 1 0 260.179 2.025 10 0 CEAERO Cc1cc(C)c(CNC(=O)[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000057547520 362585422 /nfs/dbraw/zinc/58/54/22/362585422.db2.gz GOVGNZYQAPYYEH-AWEZNQCLSA-N 1 0 260.381 2.228 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)Cc1c(F)cccc1Cl ZINC000104216311 232192246 /nfs/dbraw/zinc/19/22/46/232192246.db2.gz GIXMMTQZEUERKF-NXEZZACHSA-N 1 0 284.762 2.293 10 0 CEAERO CC[NH2+][C@](C)(C[C@H](C)Oc1cccc(C)c1)C(N)=O ZINC000084393765 178880832 /nfs/dbraw/zinc/88/08/32/178880832.db2.gz NRENAQQAYYHEJF-SWLSCSKDSA-N 1 0 264.369 2.006 10 0 CEAERO Cc1nn(C(C)C)c(N[C@H](C[NH+](C)C)C(C)C)c1N ZINC000097144745 185547888 /nfs/dbraw/zinc/54/78/88/185547888.db2.gz PCODNPYLUAWVOP-GFCCVEGCSA-N 1 0 267.421 2.353 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)CCc1c[nH]c2ccccc12 ZINC000229583202 539472005 /nfs/dbraw/zinc/47/20/05/539472005.db2.gz BKNFESBUROWJOO-IUODEOHRSA-N 1 0 285.391 2.357 10 0 CEAERO CC[NH2+][C@H]1CC[C@@H](S(=O)(=O)Cc2cccc(C)c2)C1 ZINC000084433901 178887822 /nfs/dbraw/zinc/88/78/22/178887822.db2.gz ZLCRPLKUUREOMO-LSDHHAIUSA-N 1 0 281.421 2.440 10 0 CEAERO CCCCCO[C@@H](C)C[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000084396063 178881273 /nfs/dbraw/zinc/88/12/73/178881273.db2.gz IVJKABCUUYPQOE-GXTWGEPZSA-N 1 0 258.406 2.214 10 0 CEAERO CC[NH2+][C@](C)(C[C@@H](C)OCC1CCCCC1)C(N)=O ZINC000084396767 178882449 /nfs/dbraw/zinc/88/24/49/178882449.db2.gz TZRFKTOKHKASCQ-IUODEOHRSA-N 1 0 270.417 2.215 10 0 CEAERO CC[C@H](C)n1ccc(C[C@H]([NH3+])C[C@@H](C)COC)n1 ZINC000097224702 185568394 /nfs/dbraw/zinc/56/83/94/185568394.db2.gz FULWPEGXJHTNEQ-FRRDWIJNSA-N 1 0 253.390 2.397 10 0 CEAERO C[NH2+][C@H](CCc1c(C)nn(C)c1C)Cc1ccccn1 ZINC000097272821 185575282 /nfs/dbraw/zinc/57/52/82/185575282.db2.gz FSMPIIPQXRXCJC-CQSZACIVSA-N 1 0 272.396 2.195 10 0 CEAERO Cc1ccncc1[C@@H]([NH3+])c1cccc2c1OCCO2 ZINC000097301677 185581463 /nfs/dbraw/zinc/58/14/63/185581463.db2.gz LMJNRJIQCCMUOA-AWEZNQCLSA-N 1 0 256.305 2.209 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccsc1)Cc1ncnn1C ZINC000097275340 185576149 /nfs/dbraw/zinc/57/61/49/185576149.db2.gz WCWJIXSOAUCCEW-LBPRGKRZSA-N 1 0 264.398 2.030 10 0 CEAERO CC(C)Cn1ncnc1C[C@H]([NH3+])CCc1ccco1 ZINC000097278332 185577906 /nfs/dbraw/zinc/57/79/06/185577906.db2.gz PHKCMBQRBDNXQE-GFCCVEGCSA-N 1 0 262.357 2.030 10 0 CEAERO CCC[NH2+][C@@H](CC[C@H](C)OC)Cc1ncnn1CCC ZINC000097281860 185578547 /nfs/dbraw/zinc/57/85/47/185578547.db2.gz CZTAFANITXULBU-KBPBESRZSA-N 1 0 282.432 2.414 10 0 CEAERO C[NH2+][C@@H](COc1ccc(Cl)cc1)Cc1nccn1C ZINC000097310036 185584142 /nfs/dbraw/zinc/58/41/42/185584142.db2.gz CIAVNSAKDQYVRE-GFCCVEGCSA-N 1 0 279.771 2.283 10 0 CEAERO C[C@@H](C[NH3+])Nc1ncc(Cl)cc1Br ZINC000159665661 232247615 /nfs/dbraw/zinc/24/76/15/232247615.db2.gz NTCPJAMFEPDVKL-YFKPBYRVSA-N 1 0 264.554 2.257 10 0 CEAERO [NH3+][C@@H](CCc1cccnc1)[C@H]1CCOC2(CCOCC2)C1 ZINC000097311027 185583444 /nfs/dbraw/zinc/58/34/44/185583444.db2.gz LJSKTLIPWMWJDW-HOTGVXAUSA-N 1 0 290.407 2.317 10 0 CEAERO [NH3+][C@@H](C[C@H]1CCS(=O)(=O)C1)c1cccc2cccnc21 ZINC000097344444 185587451 /nfs/dbraw/zinc/58/74/51/185587451.db2.gz FGLBWAFEOBLJLK-RISCZKNCSA-N 1 0 290.388 2.059 10 0 CEAERO [NH3+][C@H](Cc1cc(Cl)cc2c1OCC2)c1ccnnc1 ZINC000097387583 185596022 /nfs/dbraw/zinc/59/60/22/185596022.db2.gz VYUNDMQJCBMPMW-CYBMUJFWSA-N 1 0 275.739 2.307 10 0 CEAERO C[C@H]1CC[C@H]([NH2+]CC(=O)N2CCCCC2)C[C@@H]1C ZINC000085056093 178944616 /nfs/dbraw/zinc/94/46/16/178944616.db2.gz BKKXFVFANHMSPM-IHRRRGAJSA-N 1 0 252.402 2.413 10 0 CEAERO [NH3+][C@H](Cc1cccnc1)[C@@H]1OCCc2ccccc21 ZINC000097390732 185597548 /nfs/dbraw/zinc/59/75/48/185597548.db2.gz TZKZEHSIDQNYHN-HZPDHXFCSA-N 1 0 254.333 2.265 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)c2c[nH+]ccc2N)cc1 ZINC000127506131 187312089 /nfs/dbraw/zinc/31/20/89/187312089.db2.gz OXWNMONKGODYFU-LLVKDONJSA-N 1 0 255.321 2.463 10 0 CEAERO CCCS(=O)(=O)c1ccccc1NC[C@@H](C)CC[NH3+] ZINC000097441371 185604593 /nfs/dbraw/zinc/60/45/93/185604593.db2.gz CHFBXWMSFIOFPX-LBPRGKRZSA-N 1 0 284.425 2.267 10 0 CEAERO C[NH2+][C@H](Cc1ccc(F)cc1C)c1cnns1 ZINC000097453919 185609710 /nfs/dbraw/zinc/60/97/10/185609710.db2.gz IOOBPYSTQACPHA-LLVKDONJSA-N 1 0 251.330 2.489 10 0 CEAERO CCC(CC)n1ccc(CN2CC[NH2+]C[C@@H]2CC)n1 ZINC000085179920 178963406 /nfs/dbraw/zinc/96/34/06/178963406.db2.gz UJFBHPZLJSTVHP-HNNXBMFYSA-N 1 0 264.417 2.428 10 0 CEAERO CC[C@@H](C)n1ccc(CN2[C@@H](C)C[NH2+]C[C@@H]2C)n1 ZINC000085180954 178964362 /nfs/dbraw/zinc/96/43/62/178964362.db2.gz QIOKUHNURGGFEA-AGIUHOORSA-N 1 0 250.390 2.036 10 0 CEAERO CC(C)(c1ccccc1)[C@@H](Cc1c[nH+]ccc1N)NN ZINC000097524008 185621796 /nfs/dbraw/zinc/62/17/96/185621796.db2.gz GFCKZJYSBSOSEA-OAHLLOKOSA-N 1 0 270.380 2.016 10 0 CEAERO CN(CCCC[C@@](C)([NH3+])CO)c1cccc(F)c1 ZINC000085215259 178979620 /nfs/dbraw/zinc/97/96/20/178979620.db2.gz GHBSEWBTNKQMHC-CQSZACIVSA-N 1 0 254.349 2.142 10 0 CEAERO C[C@H](O)c1ccnc(N2CC[NH+](C(C)(C)C)CC2)c1 ZINC000095003082 136515199 /nfs/dbraw/zinc/51/51/99/136515199.db2.gz FLLQSKYVNYCVPQ-LBPRGKRZSA-N 1 0 263.385 2.055 10 0 CEAERO CC(C)([C@H](Cc1ccc2c(c1)CCC2)NN)[NH+]1CCCC1 ZINC000097581175 185629479 /nfs/dbraw/zinc/62/94/79/185629479.db2.gz YMXSGBWAPQHSOO-KRWDZBQOSA-N 1 0 287.451 2.424 10 0 CEAERO CC(C)n1ncc(Cl)c1[C@@H](NN)C1([NH+](C)C)CCCC1 ZINC000097587808 185633038 /nfs/dbraw/zinc/63/30/38/185633038.db2.gz MCTUCELUYAKVLZ-CYBMUJFWSA-N 1 0 299.850 2.496 10 0 CEAERO C[NH2+][C@@](C)(CO)C[C@@H](C)Oc1ccc(C)cc1C ZINC000085283442 179001456 /nfs/dbraw/zinc/00/14/56/179001456.db2.gz VRGIGLSUCHDSNV-UKRRQHHQSA-N 1 0 251.370 2.431 10 0 CEAERO CC[NH2+][C@](C)(CO)CCOc1ccc(CC)cc1 ZINC000085284141 179002087 /nfs/dbraw/zinc/00/20/87/179002087.db2.gz ODNDJHQXMYJTJO-HNNXBMFYSA-N 1 0 251.370 2.378 10 0 CEAERO C[NH2+][C@](C)(CO)C[C@@H](C)Oc1cc(C)ccc1C ZINC000085284560 179002236 /nfs/dbraw/zinc/00/22/36/179002236.db2.gz FXPDKDVXPNZTGX-HIFRSBDPSA-N 1 0 251.370 2.431 10 0 CEAERO CCc1c(C)nn(CC[C@](C)(CO)[NH2+]C(C)C)c1C ZINC000085264158 178993784 /nfs/dbraw/zinc/99/37/84/178993784.db2.gz CWPVUDGEFWDOTN-OAHLLOKOSA-N 1 0 267.417 2.201 10 0 CEAERO C[NH2+][C@@H](CO)Cn1c2ccccc2c2ccccc21 ZINC000085263723 178994099 /nfs/dbraw/zinc/99/40/99/178994099.db2.gz KZJWLYOMUGBHCL-GFCCVEGCSA-N 1 0 254.333 2.375 10 0 CEAERO Cc1cccnc1CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000295124027 199357712 /nfs/dbraw/zinc/35/77/12/199357712.db2.gz XRTDFVRCWQCMFQ-CFVMTHIKSA-N 1 0 260.381 2.336 10 0 CEAERO CCc1cccc(OCCC[C@@](C)(CO)[NH2+]C)c1 ZINC000085270348 178998528 /nfs/dbraw/zinc/99/85/28/178998528.db2.gz FSPYLXATGCABFY-HNNXBMFYSA-N 1 0 251.370 2.378 10 0 CEAERO CCc1ccccc1OCCC[C@@](C)(CO)[NH2+]C ZINC000085286441 179003793 /nfs/dbraw/zinc/00/37/93/179003793.db2.gz IAMLVZXVXSIJIJ-HNNXBMFYSA-N 1 0 251.370 2.378 10 0 CEAERO C[NH2+][C@@](C)(CO)CCOc1c(C)ccc(C)c1C ZINC000085286244 179004235 /nfs/dbraw/zinc/00/42/35/179004235.db2.gz IXBGXKQUFVFLPI-OAHLLOKOSA-N 1 0 251.370 2.351 10 0 CEAERO Cc1ccnc(S[C@@H](C)C[C@](C)(CO)[NH2+]C(C)C)n1 ZINC000085287842 179004613 /nfs/dbraw/zinc/00/46/13/179004613.db2.gz INIIXQCBTINPOD-GXTWGEPZSA-N 1 0 283.441 2.405 10 0 CEAERO Cc1ccccc1CSC[C@]([NH3+])(CO)C1CC1 ZINC000085289249 179005037 /nfs/dbraw/zinc/00/50/37/179005037.db2.gz AWZUNJDMLJAVDA-CQSZACIVSA-N 1 0 251.395 2.328 10 0 CEAERO COCCCS[C@@H](C)C[C@@](C)(CO)[NH2+]C(C)C ZINC000085290011 179005982 /nfs/dbraw/zinc/00/59/82/179005982.db2.gz UZWRGQNKVGWHPA-STQMWFEESA-N 1 0 263.447 2.284 10 0 CEAERO C[C@@H](C[C@](C)(CO)[NH2+]C1CC1)SC1CCOCC1 ZINC000085290179 179006631 /nfs/dbraw/zinc/00/66/31/179006631.db2.gz KRDQWKIPZZWDRV-SMDDNHRTSA-N 1 0 273.442 2.180 10 0 CEAERO C[C@](CO)(CSCc1ccccc1)[NH2+]C1CC1 ZINC000085290499 179006734 /nfs/dbraw/zinc/00/67/34/179006734.db2.gz UNFORKNXQHWAKC-AWEZNQCLSA-N 1 0 251.395 2.423 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)CSc1nc2ccccc2[nH]1 ZINC000085291701 179007036 /nfs/dbraw/zinc/00/70/36/179007036.db2.gz FPPXXCRGMQSXKK-AWEZNQCLSA-N 1 0 279.409 2.404 10 0 CEAERO C[NH2+][C@](C)(CO)CCSc1nc2ccccc2o1 ZINC000085292403 179008008 /nfs/dbraw/zinc/00/80/08/179008008.db2.gz BPHOMXLERUOTHK-ZDUSSCGKSA-N 1 0 266.366 2.280 10 0 CEAERO Cc1nnc(S[C@@H](C)C[C@](C)(CO)[NH2+]C2CC2)s1 ZINC000085297107 179008568 /nfs/dbraw/zinc/00/85/68/179008568.db2.gz GYDPXYKTUUPFJF-QPUJVOFHSA-N 1 0 287.454 2.220 10 0 CEAERO C[NH2+][C@](CO)(CSc1cccc(C)c1)C1CC1 ZINC000085297388 179009009 /nfs/dbraw/zinc/00/90/09/179009009.db2.gz VXKBZYQCXOJMPS-CQSZACIVSA-N 1 0 251.395 2.448 10 0 CEAERO Cc1cnc(S[C@@H](C)C[C@@](C)(CO)[NH2+]C(C)C)nc1 ZINC000085297768 179009074 /nfs/dbraw/zinc/00/90/74/179009074.db2.gz XOROSNHGTBTNDQ-JSGCOSHPSA-N 1 0 283.441 2.405 10 0 CEAERO CCC[NH2+][C@@](C)(CO)CCSc1ncc(C)cn1 ZINC000085297734 179009240 /nfs/dbraw/zinc/00/92/40/179009240.db2.gz BUWQPUNRYQLQAJ-CYBMUJFWSA-N 1 0 269.414 2.018 10 0 CEAERO C[C@@H](C[NH3+])SCC(=O)Nc1ccc(Cl)cc1 ZINC000085307536 179012562 /nfs/dbraw/zinc/01/25/62/179012562.db2.gz MDHJZTVIXQFWGX-QMMMGPOBSA-N 1 0 258.774 2.359 10 0 CEAERO CCCOc1ccccc1OCCC[C@@](C)(O)C[NH3+] ZINC000085306119 179012713 /nfs/dbraw/zinc/01/27/13/179012713.db2.gz JPSUSGAZINOWPC-OAHLLOKOSA-N 1 0 267.369 2.344 10 0 CEAERO CCCOc1ccc(O[C@@H](C)C[C@](C)(O)C[NH3+])cc1 ZINC000085307409 179012726 /nfs/dbraw/zinc/01/27/26/179012726.db2.gz FLDXXESATNBGED-WFASDCNBSA-N 1 0 267.369 2.343 10 0 CEAERO [NH3+]C[C@](O)(COc1cccc(F)c1)c1ccccc1 ZINC000085307115 179012734 /nfs/dbraw/zinc/01/27/34/179012734.db2.gz SEMYVGUWAFKGLX-HNNXBMFYSA-N 1 0 261.296 2.051 10 0 CEAERO [NH3+]C[C@@](O)(CSc1nc2ccccc2o1)C1CC1 ZINC000085308635 179013025 /nfs/dbraw/zinc/01/30/25/179013025.db2.gz FBYRASKJONKTDV-CYBMUJFWSA-N 1 0 264.350 2.020 10 0 CEAERO COc1ccc(S[C@@H](C)C[C@](C)(O)C[NH3+])cc1 ZINC000085308565 179013086 /nfs/dbraw/zinc/01/30/86/179013086.db2.gz VFFOBMLOCPYEMF-GWCFXTLKSA-N 1 0 255.383 2.276 10 0 CEAERO Cc1ccc(C)c(SC[C@](O)(C[NH3+])C2CC2)c1 ZINC000085308691 179013101 /nfs/dbraw/zinc/01/31/01/179013101.db2.gz QKWXIOUFXUNDJL-CQSZACIVSA-N 1 0 251.395 2.495 10 0 CEAERO CSc1cccc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000085355248 179030238 /nfs/dbraw/zinc/03/02/38/179030238.db2.gz JYGRJGVGPWUIMF-VXGBXAGGSA-N 1 0 250.367 2.474 10 0 CEAERO COc1ccc(Cl)cc1NC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085356302 179030260 /nfs/dbraw/zinc/03/02/60/179030260.db2.gz ZECONNRCABXQIY-NXEZZACHSA-N 1 0 268.744 2.415 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)NCc1ccc(Br)cc1 ZINC000085357174 179031042 /nfs/dbraw/zinc/03/10/42/179031042.db2.gz BNEVBCTUKSAALG-VXGBXAGGSA-N 1 0 297.196 2.193 10 0 CEAERO COCc1ccccc1NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085360336 179032269 /nfs/dbraw/zinc/03/22/69/179032269.db2.gz FADYQYIUTUTWDV-OLZOCXBDSA-N 1 0 262.353 2.289 10 0 CEAERO COCc1cccc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000085359802 179032351 /nfs/dbraw/zinc/03/23/51/179032351.db2.gz XKCPZKABUYCMQD-KBPBESRZSA-N 1 0 262.353 2.289 10 0 CEAERO COC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000085362459 179034002 /nfs/dbraw/zinc/03/40/02/179034002.db2.gz NDBUNEHWPYCQLL-KOLCDFICSA-N 1 0 296.754 2.193 10 0 CEAERO [NH3+][C@@H]1COC[C@H]1c1nc2cccc(Cl)c2s1 ZINC000085352958 179029477 /nfs/dbraw/zinc/02/94/77/179029477.db2.gz BKMOBPAEGZZCRA-HTRCEHHLSA-N 1 0 254.742 2.391 10 0 CEAERO Ic1cnc([C@@H]2CCC[NH2+]C2)s1 ZINC000085352045 179029772 /nfs/dbraw/zinc/02/97/72/179029772.db2.gz FNEIJQUPPMPOHU-ZCFIWIBFSA-N 1 0 294.161 2.215 10 0 CEAERO CCN(Cc1ccc(OC)c(F)c1)C(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085367004 179036943 /nfs/dbraw/zinc/03/69/43/179036943.db2.gz VBQVRNMSZBQPJV-GXTWGEPZSA-N 1 0 294.370 2.310 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)N(Cc1ccncc1)C1CC1 ZINC000085367591 179037478 /nfs/dbraw/zinc/03/74/78/179037478.db2.gz XXKDQLKMXMFDPB-CABCVRRESA-N 1 0 273.380 2.090 10 0 CEAERO Cc1cc(C)cc(OCCN(C)C(=O)[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000085367348 179037591 /nfs/dbraw/zinc/03/75/91/179037591.db2.gz HWYHTKMHINXGRQ-HOTGVXAUSA-N 1 0 290.407 2.268 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000085367261 179037610 /nfs/dbraw/zinc/03/76/10/179037610.db2.gz UTSDSVGDOOEGBL-LSDHHAIUSA-N 1 0 276.355 2.444 10 0 CEAERO CN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085367992 179037840 /nfs/dbraw/zinc/03/78/40/179037840.db2.gz BVOGQAXZOBLAEP-ZWNOBZJWSA-N 1 0 268.307 2.051 10 0 CEAERO Cc1cccc(CN(C)C(=O)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000085368113 179038197 /nfs/dbraw/zinc/03/81/97/179038197.db2.gz ZZRMEXJURSMTMY-LSDHHAIUSA-N 1 0 260.381 2.471 10 0 CEAERO COc1ccccc1CN(C(=O)[C@@H]1CCC[C@H]1[NH3+])C1CC1 ZINC000085368816 179038540 /nfs/dbraw/zinc/03/85/40/179038540.db2.gz PPHHDHOWZDHKES-HUUCEWRRSA-N 1 0 288.391 2.314 10 0 CEAERO CC(C)(CNC(=O)[C@@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000085369606 179039336 /nfs/dbraw/zinc/03/93/36/179039336.db2.gz GEEKXMMAFXMRSY-ZIAGYGMSSA-N 1 0 260.381 2.208 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)N(Cc1ccsc1)C1CC1 ZINC000085370544 179040808 /nfs/dbraw/zinc/04/08/08/179040808.db2.gz MAKATYAXAADBGU-OLZOCXBDSA-N 1 0 264.394 2.367 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)NCc1ccc(OC(F)F)cc1 ZINC000085370901 179041458 /nfs/dbraw/zinc/04/14/58/179041458.db2.gz WHQZJSHZDZDYRJ-RYUDHWBXSA-N 1 0 284.306 2.032 10 0 CEAERO CCCOC(=O)c1ccc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000085371484 179041675 /nfs/dbraw/zinc/04/16/75/179041675.db2.gz LSIRVNGQOHJPQQ-KBPBESRZSA-N 1 0 290.363 2.319 10 0 CEAERO CC(C)Oc1ncccc1NC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085372310 179042279 /nfs/dbraw/zinc/04/22/79/179042279.db2.gz FRGDDCIIDFIABD-VXGBXAGGSA-N 1 0 277.368 2.325 10 0 CEAERO CC(C)Oc1ncccc1CNC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085372290 179042337 /nfs/dbraw/zinc/04/23/37/179042337.db2.gz QXKGBSRGKKWAQG-KGLIPLIRSA-N 1 0 291.395 2.003 10 0 CEAERO Cc1occc1CN(C)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085372393 179042385 /nfs/dbraw/zinc/04/23/85/179042385.db2.gz JIEZTDNOHMEBNQ-STQMWFEESA-N 1 0 250.342 2.064 10 0 CEAERO CCN(C(=O)[C@@H]1CCC[C@H]1[NH3+])c1ccc(F)cc1 ZINC000085373635 179042942 /nfs/dbraw/zinc/04/29/42/179042942.db2.gz DAJSYAMPXKDVGC-CHWSQXEVSA-N 1 0 250.317 2.306 10 0 CEAERO CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2nnc3n2CCC3)C1(C)C ZINC000085384802 179046294 /nfs/dbraw/zinc/04/62/94/179046294.db2.gz UZXGLJVMRLLWEB-SRVKXCTJSA-N 1 0 278.400 2.079 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C3CC3)C2)C1(C)C ZINC000085398068 179050327 /nfs/dbraw/zinc/05/03/27/179050327.db2.gz OOLHZNWIAVAISI-BNOWGMLFSA-N 1 0 252.402 2.016 10 0 CEAERO CC(C)CCOCCN1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC000085434920 179061014 /nfs/dbraw/zinc/06/10/14/179061014.db2.gz FEANSUKQRVNKTB-CQSZACIVSA-N 1 0 256.434 2.369 10 0 CEAERO CO[C@H]1CCC[C@@H]([N@@H+]2CCN[C@H](C(C)(C)C)C2)C1 ZINC000085434987 179061057 /nfs/dbraw/zinc/06/10/57/179061057.db2.gz PHWGJQLTDFCWKQ-RDBSUJKOSA-N 1 0 254.418 2.264 10 0 CEAERO CO[C@@H]1CCC[C@@H]([N@@H+]2CCNC3(CCCC3)C2)C1 ZINC000085435349 179061779 /nfs/dbraw/zinc/06/17/79/179061779.db2.gz BVIDTPBDVVRLBR-ZIAGYGMSSA-N 1 0 252.402 2.162 10 0 CEAERO CCC[C@H]1CN(C[C@@H]2CCCO2)[C@@](C)(CC)C[NH2+]1 ZINC000085466091 179071549 /nfs/dbraw/zinc/07/15/49/179071549.db2.gz WBKMTBFSCGGNMX-KKUMJFAQSA-N 1 0 254.418 2.408 10 0 CEAERO CC[C@]1(C)C[NH2+][C@@H](C(C)C)CN1Cc1ncccn1 ZINC000085467832 179072395 /nfs/dbraw/zinc/07/23/95/179072395.db2.gz QJAAQYSYSGKXIU-UKRRQHHQSA-N 1 0 262.401 2.075 10 0 CEAERO CC(C)C[C@@H]1CN[C@H](C(C)C)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085466975 179072640 /nfs/dbraw/zinc/07/26/40/179072640.db2.gz QMFHDVIMWJMNPX-XHSDSOJGSA-N 1 0 268.445 2.367 10 0 CEAERO CC(C)[C@H]1CN(Cc2ccn(C(C)C)n2)[C@@H](C)C[NH2+]1 ZINC000085450382 179065492 /nfs/dbraw/zinc/06/54/92/179065492.db2.gz WIUUTXZDAWUDLQ-DZGCQCFKSA-N 1 0 264.417 2.282 10 0 CEAERO COc1cccc(CN2CC[NH2+]C[C@@]2(C)C2CC2)c1 ZINC000085452607 179065972 /nfs/dbraw/zinc/06/59/72/179065972.db2.gz XKVVHHDGBMWSIO-INIZCTEOSA-N 1 0 260.381 2.269 10 0 CEAERO CCC1(CC)C[NH2+][C@@H](C)CN1CCn1ccnc1C ZINC000085454309 179066773 /nfs/dbraw/zinc/06/67/73/179066773.db2.gz WLBZIWZTAMGULA-ZDUSSCGKSA-N 1 0 264.417 2.044 10 0 CEAERO C[C@H]1C[N@H+](CCCOCC(F)(F)F)[C@H](C2CC2)CN1 ZINC000085453745 179066869 /nfs/dbraw/zinc/06/68/69/179066869.db2.gz YBMCEJDXEPAEEY-JQWIXIFHSA-N 1 0 280.334 2.028 10 0 CEAERO C[C@@H]1C[N@H+](C[C@@H]2CCOC2)[C@H](C2CCCCC2)CN1 ZINC000085454598 179067763 /nfs/dbraw/zinc/06/77/63/179067763.db2.gz VZEQTLUETCYIFH-YCPHGPKFSA-N 1 0 266.429 2.266 10 0 CEAERO CCn1cc(CN2C[C@@H](C)[NH2+]C[C@@H]2CC(C)C)cn1 ZINC000085454853 179067783 /nfs/dbraw/zinc/06/77/83/179067783.db2.gz NHTZCFAVMLUNBE-HIFRSBDPSA-N 1 0 264.417 2.111 10 0 CEAERO CC(C)[NH2+]CCCCc1ccc2c(c1)NC(=O)CO2 ZINC000098130792 185691749 /nfs/dbraw/zinc/69/17/49/185691749.db2.gz SVFMHGIXVBEKEC-UHFFFAOYSA-N 1 0 262.353 2.338 10 0 CEAERO CC[C@@H]1CN[C@@](C)(CC)C[N@@H+]1CC1CCOCC1 ZINC000085494739 179082156 /nfs/dbraw/zinc/08/21/56/179082156.db2.gz NEPXDOKGTGHRQF-CABCVRRESA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@H]1CN[C@@H](C(C)(C)C)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085475592 179078326 /nfs/dbraw/zinc/07/83/26/179078326.db2.gz KFIXYZQIPGIXMZ-MELADBBJSA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C(C)(C)C)CN1C[C@@H]1CCCO1 ZINC000085475540 179078634 /nfs/dbraw/zinc/07/86/34/179078634.db2.gz IGLQJBXMBAUNAF-IHRRRGAJSA-N 1 0 254.418 2.264 10 0 CEAERO CC[C@@]1(C)C[N@H+](C[C@@H]2CCCO2)[C@H](C2CC2)CN1 ZINC000085495904 179081774 /nfs/dbraw/zinc/08/17/74/179081774.db2.gz IPOVZAOHSXEAJS-KKUMJFAQSA-N 1 0 252.402 2.018 10 0 CEAERO CCC[C@H]1C[NH2+][C@@](C)(CC)CN1Cc1ncccn1 ZINC000085494985 179081888 /nfs/dbraw/zinc/08/18/88/179081888.db2.gz VBWOVCYWZMDSHX-ZFWWWQNUSA-N 1 0 262.401 2.219 10 0 CEAERO CC[C@@H](C)[C@H]1C[NH2+]C(C)(C)CN1Cc1ncccn1 ZINC000085470104 179075268 /nfs/dbraw/zinc/07/52/68/179075268.db2.gz JEPSPIMNPRIRBU-CHWSQXEVSA-N 1 0 262.401 2.075 10 0 CEAERO CC1(C)CN(CCOCC(F)(F)F)C(C)(C)C[NH2+]1 ZINC000085471054 179076179 /nfs/dbraw/zinc/07/61/79/179076179.db2.gz XQBPPRFZJLWBKM-UHFFFAOYSA-N 1 0 268.323 2.028 10 0 CEAERO CCC[C@@H]1CN[C@@](C)(C2CC2)C[N@@H+]1CCOCC ZINC000085511091 179085313 /nfs/dbraw/zinc/08/53/13/179085313.db2.gz MVVHEWPDNABCJQ-HUUCEWRRSA-N 1 0 254.418 2.266 10 0 CEAERO CCOCC[N@@H+]1C[C@](C)(C2CC2)NC[C@@H]1C(C)C ZINC000085512022 179085768 /nfs/dbraw/zinc/08/57/68/179085768.db2.gz OIVRASAONNGWOV-HUUCEWRRSA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1C[C@@H]1CCCO1 ZINC000085510366 179086028 /nfs/dbraw/zinc/08/60/28/179086028.db2.gz DRRPVRNFNNJYHS-ILXRZTDVSA-N 1 0 252.402 2.018 10 0 CEAERO Cc1nccn1CCN1C[C@@](C)(C2CC2)[NH2+]CC1(C)C ZINC000085514529 179086353 /nfs/dbraw/zinc/08/63/53/179086353.db2.gz QOUXLSYCZAUTQJ-INIZCTEOSA-N 1 0 276.428 2.044 10 0 CEAERO C[C@H]1C[NH2+][C@@H](C2CC2)CN1CCCOCC(F)(F)F ZINC000085521736 179088680 /nfs/dbraw/zinc/08/86/80/179088680.db2.gz IYSZODBRLAGRHO-CMPLNLGQSA-N 1 0 280.334 2.028 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](C2CC2)CN1CCOc1ccccc1 ZINC000085521176 179087811 /nfs/dbraw/zinc/08/78/11/179087811.db2.gz KPTWCNHRBVHVKB-CZUORRHYSA-N 1 0 260.381 2.138 10 0 CEAERO C[C@@H]1C[NH2+][C@H](C2CC2)CN1CCOc1ccccc1 ZINC000085521171 179088012 /nfs/dbraw/zinc/08/80/12/179088012.db2.gz KPTWCNHRBVHVKB-CJNGLKHVSA-N 1 0 260.381 2.138 10 0 CEAERO C[C@H]1C[NH2+][C@H](C2CC2)CN1CCc1ccsc1 ZINC000085521455 179088052 /nfs/dbraw/zinc/08/80/52/179088052.db2.gz PXDRTWFVKWTRJA-FZMZJTMJSA-N 1 0 250.411 2.363 10 0 CEAERO CC[C@@]1(C)C[N@H+](C[C@@H]2CCOC2)C2(CCCC2)CN1 ZINC000085497161 179082843 /nfs/dbraw/zinc/08/28/43/179082843.db2.gz ADSJQDLIUALDPW-GJZGRUSLSA-N 1 0 266.429 2.410 10 0 CEAERO CC[C@]1(C)C[N@H+]([C@@H]2CCOC2)[C@@](C)(C2CC2)CN1 ZINC000085497343 179082909 /nfs/dbraw/zinc/08/29/09/179082909.db2.gz QZIAURMDBYNCDQ-RBSFLKMASA-N 1 0 252.402 2.018 10 0 CEAERO CCC[C@H]1C[NH2+][C@@H](C2CC2)CN1C[C@@H]1CCCCO1 ZINC000085523580 179088905 /nfs/dbraw/zinc/08/89/05/179088905.db2.gz BOMCFZCQEWFZPP-HRCADAONSA-N 1 0 266.429 2.408 10 0 CEAERO CC[C@]1(C)C[NH2+][C@@H](C2CC2)CN1CCn1ccnc1C ZINC000085528384 179090842 /nfs/dbraw/zinc/09/08/42/179090842.db2.gz LLNIPHUWXVEOOW-HZPDHXFCSA-N 1 0 276.428 2.044 10 0 CEAERO C[C@H]1C[NH2+][C@](C)(c2ccccc2)CN1Cc1cnn(C)c1 ZINC000085531826 179091525 /nfs/dbraw/zinc/09/15/25/179091525.db2.gz WIHAMYFYBLZFDE-YOEHRIQHSA-N 1 0 284.407 2.129 10 0 CEAERO CCOCC[N@@H+]1C[C@](C)(c2ccccc2)NC[C@@H]1C ZINC000085531585 179091639 /nfs/dbraw/zinc/09/16/39/179091639.db2.gz KHTYDROQNQUVHK-GOEBONIOSA-N 1 0 262.397 2.232 10 0 CEAERO CC(C)OCCN1C[C@@H](C2CC2)[NH2+]C[C@@]1(C)C1CC1 ZINC000085529329 179091894 /nfs/dbraw/zinc/09/18/94/179091894.db2.gz IRFRPPCNYAKFOJ-HOTGVXAUSA-N 1 0 266.429 2.264 10 0 CEAERO Cc1ccc(F)c(O[C@@H]2CC3(CC[C@H]2[NH3+])OCCO3)c1 ZINC000085553826 179092917 /nfs/dbraw/zinc/09/29/17/179092917.db2.gz YIDWUMWFUVTLRE-TZMCWYRMSA-N 1 0 281.327 2.136 10 0 CEAERO CC[NH2+][C@](C)(C[C@H](C)Oc1cc(C)ccc1F)C(N)=O ZINC000085560552 179094455 /nfs/dbraw/zinc/09/44/55/179094455.db2.gz PVULUMOJMYFWJD-XHDPSFHLSA-N 1 0 282.359 2.145 10 0 CEAERO CCc1nc2c(n1-c1cc(F)cc(F)c1)CC[NH2+]C2 ZINC000085567982 179095435 /nfs/dbraw/zinc/09/54/35/179095435.db2.gz OTTZQBFGGNIQBO-UHFFFAOYSA-N 1 0 263.291 2.359 10 0 CEAERO CCc1nc2c(n1-c1cc(F)ccc1F)CC[NH2+]C2 ZINC000085568898 179095536 /nfs/dbraw/zinc/09/55/36/179095536.db2.gz KAQBEIFHYNJGPI-UHFFFAOYSA-N 1 0 263.291 2.359 10 0 CEAERO CCOC[C@@H](C)n1c(CC(C)C)nc2c1CC[NH2+]C2 ZINC000085572848 179097937 /nfs/dbraw/zinc/09/79/37/179097937.db2.gz JEUJCXFHSMYBAT-GFCCVEGCSA-N 1 0 265.401 2.325 10 0 CEAERO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](CO)c1ccccc1 ZINC000063002806 362741385 /nfs/dbraw/zinc/74/13/85/362741385.db2.gz KJMXEYSUDSINHV-GUTXKFCHSA-N 1 0 278.396 2.003 10 0 CEAERO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@@H](CO)c1ccccc1 ZINC000063002799 362741563 /nfs/dbraw/zinc/74/15/63/362741563.db2.gz SBWRDHXJCBMYCH-DOMZBBRYSA-N 1 0 278.396 2.003 10 0 CEAERO C[C@H]1CCN[C@](C)(C2CC2)C[N@@H+]1CC1CCOCC1 ZINC000085623898 179106632 /nfs/dbraw/zinc/10/66/32/179106632.db2.gz DXZYPSLJWLFJNJ-BBRMVZONSA-N 1 0 266.429 2.266 10 0 CEAERO C[C@@H]1CCN[C@@](C)(C2CC2)C[N@@H+]1CC1CCOCC1 ZINC000085623891 179106649 /nfs/dbraw/zinc/10/66/49/179106649.db2.gz DXZYPSLJWLFJNJ-CZUORRHYSA-N 1 0 266.429 2.266 10 0 CEAERO CCOC[C@H](C)n1c2c(nc1C(C)C)C[NH2+]CC2 ZINC000085572865 179098281 /nfs/dbraw/zinc/09/82/81/179098281.db2.gz ISBRUOXZQVTTLY-NSHDSACASA-N 1 0 251.374 2.250 10 0 CEAERO C[C@H]1CN(Cc2ccn(C3CCCC3)n2)CCC[NH2+]1 ZINC000085610306 179101550 /nfs/dbraw/zinc/10/15/50/179101550.db2.gz PCEJXEJNZYVIHT-ZDUSSCGKSA-N 1 0 262.401 2.182 10 0 CEAERO Fc1ccc(NCCC[NH2+]Cc2cccnc2)nc1 ZINC000063197146 362757878 /nfs/dbraw/zinc/75/78/78/362757878.db2.gz NFNSPSZKUKTFFC-UHFFFAOYSA-N 1 0 260.316 2.208 10 0 CEAERO CC[C@]1(C)C[N@@H+]([C@@H]2CCC[C@H](OC)C2)CCCN1 ZINC000085617094 179104147 /nfs/dbraw/zinc/10/41/47/179104147.db2.gz JUDQUOUDYVWNBW-QLFBSQMISA-N 1 0 254.418 2.408 10 0 CEAERO CC[C@@]1(C)CN(Cc2ccn(C(C)C)n2)CCC[NH2+]1 ZINC000085617131 179104496 /nfs/dbraw/zinc/10/44/96/179104496.db2.gz ZYKKWNXWMJSRPA-HNNXBMFYSA-N 1 0 264.417 2.428 10 0 CEAERO CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085673842 179112098 /nfs/dbraw/zinc/11/20/98/179112098.db2.gz YLTMFRUYFKBATA-RQJABVFESA-N 1 0 282.428 2.037 10 0 CEAERO CC[NH2+][C@@H](CN)c1ccc(Br)c(C)c1 ZINC000085707137 179121881 /nfs/dbraw/zinc/12/18/81/179121881.db2.gz QYKWWPXMPWCOFI-NSHDSACASA-N 1 0 257.175 2.367 10 0 CEAERO C[C@@H]1Cc2ccccc2N(C(=O)c2ccc(NN)[nH+]c2)C1 ZINC000112997456 136566639 /nfs/dbraw/zinc/56/66/39/136566639.db2.gz PTHMPVPXFDENEN-LLVKDONJSA-N 1 0 282.347 2.206 10 0 CEAERO CCOC(=O)c1ncc(CN2C[C@@H]3CCC[C@H]32)s1 ZINC000602793337 347200902 /nfs/dbraw/zinc/20/09/02/347200902.db2.gz QJJXAESBOZMPPR-GXSJLCMTSA-N 1 0 266.366 2.304 10 0 CEAERO CC(C)(C)n1c2ccccc2nc1[C@@]1([NH3+])CCOC1 ZINC000085849330 179187556 /nfs/dbraw/zinc/18/75/56/179187556.db2.gz ZGFKPTFRNHJVGM-OAHLLOKOSA-N 1 0 259.353 2.366 10 0 CEAERO CC(C)[C@H](NC(=O)[C@]1([NH3+])CCOC1)c1ccc(Cl)cc1 ZINC000085871320 179193226 /nfs/dbraw/zinc/19/32/26/179193226.db2.gz OUUZAXJDTHGVSE-ZFWWWQNUSA-N 1 0 296.798 2.271 10 0 CEAERO CC(C)(C)[C@@H](NC(=O)[C@]1([NH3+])CCOC1)c1ccc(F)cc1 ZINC000085873830 179194079 /nfs/dbraw/zinc/19/40/79/179194079.db2.gz JTCLQOMWAPGPRN-BBRMVZONSA-N 1 0 294.370 2.147 10 0 CEAERO C[C@@H](NC(=O)[C@]1([NH3+])CCOC1)c1cccc2ccccc21 ZINC000085912830 179197116 /nfs/dbraw/zinc/19/71/16/179197116.db2.gz YSAUOTFLVHJFGK-PXAZEXFGSA-N 1 0 284.359 2.135 10 0 CEAERO Cc1cccc(OCCC(=O)NC[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000085963809 179205369 /nfs/dbraw/zinc/20/53/69/179205369.db2.gz TZOSEHFKWYRZSM-GDBMZVCRSA-N 1 0 290.407 2.398 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1CNC(=O)c1ccccc1F ZINC000085965022 179205518 /nfs/dbraw/zinc/20/55/18/179205518.db2.gz FQHMFZOPECITIO-ZWNOBZJWSA-N 1 0 250.317 2.073 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1CNC(=O)c1ccc(F)cc1F ZINC000085967645 179205851 /nfs/dbraw/zinc/20/58/51/179205851.db2.gz CNTCZISYGQQQCJ-TVQRCGJNSA-N 1 0 268.307 2.212 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1CNC(=O)Cc1ccc(F)cc1 ZINC000085966580 179206038 /nfs/dbraw/zinc/20/60/38/179206038.db2.gz IZRXHYGCXTUQOX-GXTWGEPZSA-N 1 0 264.344 2.002 10 0 CEAERO Cc1ccc(CC(=O)NC[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000085968290 179206376 /nfs/dbraw/zinc/20/63/76/179206376.db2.gz OEOKVJOADOYLEQ-HUUCEWRRSA-N 1 0 260.381 2.171 10 0 CEAERO CC[C@]1(C)C[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)CCO1 ZINC000085973707 179207152 /nfs/dbraw/zinc/20/71/52/179207152.db2.gz AJVFSSCKRIDMSO-LJISPDSOSA-N 1 0 255.402 2.475 10 0 CEAERO CCc1ncc(C[NH2+]C[C@H]2CCCC[C@H]2O)s1 ZINC000085976186 179207718 /nfs/dbraw/zinc/20/77/18/179207718.db2.gz PAEGNJSPUNHBJG-ZYHUDNBSSA-N 1 0 254.399 2.346 10 0 CEAERO CC(C)([NH3+])c1cn(Cc2cc(Cl)ccc2F)nn1 ZINC000231129248 539558248 /nfs/dbraw/zinc/55/82/48/539558248.db2.gz BFQPYYHDCLKNLK-UHFFFAOYSA-N 1 0 268.723 2.313 10 0 CEAERO CC(C)N(Cc1cccs1)C[C@@]1([NH3+])CCOC1 ZINC000085914793 179198038 /nfs/dbraw/zinc/19/80/38/179198038.db2.gz IBZTYIBTIFMBHZ-ZDUSSCGKSA-N 1 0 254.399 2.076 10 0 CEAERO O=C(C1CC1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000065288711 362809585 /nfs/dbraw/zinc/80/95/85/362809585.db2.gz XEKWATNDSRKEGS-AWEZNQCLSA-N 1 0 250.386 2.263 10 0 CEAERO [NH3+][C@@H](CCO)COc1ccccc1-c1ccccc1 ZINC000085921285 179200698 /nfs/dbraw/zinc/20/06/98/179200698.db2.gz FRCUUDFJRFRQLD-AWEZNQCLSA-N 1 0 257.333 2.442 10 0 CEAERO CC[N@H+](C[C@H](O)COCc1ccccc1)C[C@@H]1CCCO1 ZINC000065353030 362810272 /nfs/dbraw/zinc/81/02/72/362810272.db2.gz YWAHGJHPYMOXKR-IRXDYDNUSA-N 1 0 293.407 2.065 10 0 CEAERO CC1CCC(OC[C@@H](O)C[NH2+]C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000085986394 179212226 /nfs/dbraw/zinc/21/22/26/179212226.db2.gz HCIGYHITOKIKNZ-QDZBGDLPSA-N 1 0 299.455 2.083 10 0 CEAERO C[C@H]1[C@H](NC(=O)COc2ccc(C[NH3+])cc2)CC[C@@H]1C ZINC000086068829 179224172 /nfs/dbraw/zinc/22/41/72/179224172.db2.gz ISQUFRSWCDTCMP-YWPYICTPSA-N 1 0 276.380 2.075 10 0 CEAERO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC(=O)N(C3CCCCC3)C2=O)[C@@H]1C ZINC000086075152 179224913 /nfs/dbraw/zinc/22/49/13/179224913.db2.gz QKRDGZXBMNLXEV-QHSBEEBCSA-N 1 0 292.423 2.471 10 0 CEAERO c1nc2c([nH]1)[C@@H](c1cccc3cccnc31)[NH2+]CC2 ZINC000065427885 362821023 /nfs/dbraw/zinc/82/10/23/362821023.db2.gz IUFXAUWEKZCJIH-CQSZACIVSA-N 1 0 250.305 2.193 10 0 CEAERO CCc1ccc([C@H]([NH2+]C)[C@@H]2CCS(=O)(=O)C2)s1 ZINC000086020336 179218164 /nfs/dbraw/zinc/21/81/64/179218164.db2.gz YZHFNFZCKRBEKH-BXKDBHETSA-N 1 0 273.423 2.006 10 0 CEAERO Cc1ccc(C)c(S(=O)(=O)[C@H]2CC[C@@H]([NH3+])[C@@H]2C)c1 ZINC000086040579 179222076 /nfs/dbraw/zinc/22/20/76/179222076.db2.gz ZTRCVEDXOCGZCB-XQQFMLRXSA-N 1 0 267.394 2.203 10 0 CEAERO CC[C@@](C[NH3+])(C1CC1)N(C)Cc1csc(C)n1 ZINC000086120507 179235066 /nfs/dbraw/zinc/23/50/66/179235066.db2.gz OYRKDVWXIWXVKB-CYBMUJFWSA-N 1 0 253.415 2.401 10 0 CEAERO CCC[C@H]1CN(CCc2ccccc2F)CC[NH2+]1 ZINC000086124340 179235483 /nfs/dbraw/zinc/23/54/83/179235483.db2.gz OSYGMIBATLCVDN-AWEZNQCLSA-N 1 0 250.361 2.442 10 0 CEAERO CCOCCC[N@@H+]1CCN[C@@](C)(c2ccccc2)C1 ZINC000086125623 179235520 /nfs/dbraw/zinc/23/55/20/179235520.db2.gz JVJDMCBINCWILU-MRXNPFEDSA-N 1 0 262.397 2.234 10 0 CEAERO CC[C@]1(C)CN(CCc2ccc(F)cc2)CC[NH2+]1 ZINC000086124016 179236082 /nfs/dbraw/zinc/23/60/82/179236082.db2.gz QNJNXJSXEBJNQA-OAHLLOKOSA-N 1 0 250.361 2.442 10 0 CEAERO CC[C@H]1CC[C@H]([NH2+]C2CCN(C(C)=O)CC2)[C@@H]1C ZINC000086084119 179228939 /nfs/dbraw/zinc/22/89/39/179228939.db2.gz RNBWGTUUJSUABL-ZLDLUXBVSA-N 1 0 252.402 2.412 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(CCc2cscn2)CC[NH2+]1 ZINC000086149448 179240355 /nfs/dbraw/zinc/24/03/55/179240355.db2.gz UPJKYHICQRVLDA-YPMHNXCESA-N 1 0 253.415 2.006 10 0 CEAERO CCOCCCN1C[C@H](Cc2ccccc2)[NH2+]C[C@@H]1C ZINC000086153049 179240368 /nfs/dbraw/zinc/24/03/68/179240368.db2.gz HYXSTPALTVYDRC-RDJZCZTQSA-N 1 0 276.424 2.318 10 0 CEAERO Cc1nc(CN2C[C@H](C(C)C)[NH2+]C[C@@H]2C)cs1 ZINC000086173071 179244521 /nfs/dbraw/zinc/24/45/21/179244521.db2.gz QEAQTVPGAHEBPM-GXFFZTMASA-N 1 0 253.415 2.270 10 0 CEAERO C[C@@H]1CN[C@H](Cc2ccccc2)C[N@@H+]1CC[C@@H]1CCCO1 ZINC000086173635 179244991 /nfs/dbraw/zinc/24/49/91/179244991.db2.gz NECOLGOSGGXVCD-NXHRZFHOSA-N 1 0 288.435 2.461 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1Cc1ccnc(OC)c1 ZINC000086175226 179245980 /nfs/dbraw/zinc/24/59/80/179245980.db2.gz CHVFKGLLOBLAEU-HUUCEWRRSA-N 1 0 277.412 2.299 10 0 CEAERO c1coc(CCN2CC[NH2+]C[C@@H]2c2ccccc2)c1 ZINC000086177326 179246466 /nfs/dbraw/zinc/24/64/66/179246466.db2.gz WOIFGXLWMUZUSU-MRXNPFEDSA-N 1 0 256.349 2.469 10 0 CEAERO COC[C@H](C)[N@@H+]1C[C@@H](C(C)(C)C)NC[C@@H]1C(C)C ZINC000086180051 179246620 /nfs/dbraw/zinc/24/66/20/179246620.db2.gz HFZOCIMTONZWIL-MJBXVCDLSA-N 1 0 256.434 2.366 10 0 CEAERO CCC[C@H]1CN(CCc2nc(C)cs2)CC[NH2+]1 ZINC000086148868 179239465 /nfs/dbraw/zinc/23/94/65/179239465.db2.gz QALASTPDDHIGON-LBPRGKRZSA-N 1 0 253.415 2.068 10 0 CEAERO C[C@H](Cc1ccc(F)cc1)N1CC[NH2+][C@H](C2CC2)C1 ZINC000086148476 179239893 /nfs/dbraw/zinc/23/98/93/179239893.db2.gz BCMPCAJUNXEDPY-WBMJQRKESA-N 1 0 262.372 2.441 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@](C)(C2CC2)CN1c1cnn(C)c1 ZINC000086218284 179249538 /nfs/dbraw/zinc/24/95/38/179249538.db2.gz IYFOLNZFDPULIT-GJZGRUSLSA-N 1 0 262.401 2.023 10 0 CEAERO CC(C)[C@@H]1CNC(C)(C)C[N@@H+]1[C@@H](C)[C@@H]1CCCO1 ZINC000086218189 179250144 /nfs/dbraw/zinc/25/01/44/179250144.db2.gz WQMWVYALRZXKOA-IHRRRGAJSA-N 1 0 254.418 2.262 10 0 CEAERO CC[C@@H]1CN[C@H](CC(C)C)C[N@@H+]1C1CCOCC1 ZINC000086218858 179250303 /nfs/dbraw/zinc/25/03/03/179250303.db2.gz QCOKWMGKTLPYRN-ZIAGYGMSSA-N 1 0 254.418 2.264 10 0 CEAERO CC[C@H]1CN[C@H](C(C)(C)C)C[N@@H+]1C1CCOCC1 ZINC000086218779 179250889 /nfs/dbraw/zinc/25/08/89/179250889.db2.gz NXXFXMQVYXDLSO-JSGCOSHPSA-N 1 0 254.418 2.264 10 0 CEAERO C[C@H]1C[NH2+][C@H](C(C)(C)C)CN1CCc1ccncc1 ZINC000086223353 179251647 /nfs/dbraw/zinc/25/16/47/179251647.db2.gz SNHJSOBZBFGBRO-ZFWWWQNUSA-N 1 0 261.413 2.333 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C2CCCCC2)CN1C[C@@H]1COCCO1 ZINC000086223624 179252164 /nfs/dbraw/zinc/25/21/64/179252164.db2.gz IJIGBPOKYUKAFF-BRWVUGGUSA-N 1 0 296.455 2.035 10 0 CEAERO COc1ccc(Br)cc1[C@@H]1OCC[C@@H]1[NH3+] ZINC000086249805 179255620 /nfs/dbraw/zinc/25/56/20/179255620.db2.gz QZGMLPLHKWAMFE-ONGXEEELSA-N 1 0 272.142 2.246 10 0 CEAERO CC[C@H]([NH3+])CNc1nc(Br)cs1 ZINC000086290855 179265398 /nfs/dbraw/zinc/26/53/98/179265398.db2.gz BBIDNDNWAZLJHS-YFKPBYRVSA-N 1 0 250.165 2.055 10 0 CEAERO C[C@@H]1CN[C@H](c2ccccc2)C[N@@H+]1C[C@@H]1CCCOC1 ZINC000086260071 179259210 /nfs/dbraw/zinc/25/92/10/179259210.db2.gz RZMCDUYBWXLFIO-VYDXJSESSA-N 1 0 274.408 2.448 10 0 CEAERO CC[C@H]1CN[C@@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCCOC1 ZINC000086260078 179259407 /nfs/dbraw/zinc/25/94/07/179259407.db2.gz GQHDPSWRQAVURN-CWRNSKLLSA-N 1 0 266.429 2.266 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](CC(C)C)CN1Cc1ccnc(C)n1 ZINC000086260247 179259590 /nfs/dbraw/zinc/25/95/90/179259590.db2.gz PWOPKJSJMONJFS-HZPDHXFCSA-N 1 0 276.428 2.384 10 0 CEAERO COC[C@H](C)C[N@@H+]1CC2(CCCCC2)NC[C@@H]1C ZINC000086260952 179260075 /nfs/dbraw/zinc/26/00/75/179260075.db2.gz JXGGTKZYAPSPPO-KGLIPLIRSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@@]1(C)CN(Cc2cnc(C)cn2)[C@H](C(C)C)C[NH2+]1 ZINC000086263060 179260308 /nfs/dbraw/zinc/26/03/08/179260308.db2.gz GGXIRCISNFNWFG-HOTGVXAUSA-N 1 0 276.428 2.384 10 0 CEAERO Cc1ncsc1CN1C[C@](C)(C2CC2)[NH2+]C[C@@H]1C ZINC000086264610 179260915 /nfs/dbraw/zinc/26/09/15/179260915.db2.gz CXGXMNYCISOQQA-IINYFYTJSA-N 1 0 265.426 2.414 10 0 CEAERO C[C@@H]1C[C@H](N[C@@H](C[NH+](C)C)c2ccccc2)CC[N@@H+]1C ZINC000129853794 365899704 /nfs/dbraw/zinc/89/97/04/365899704.db2.gz IXNRRRANGGKUPG-OIISXLGYSA-N 1 0 275.440 2.362 10 0 CEAERO CC(C)[C@H]1C[NH2+][C@H](C(C)(C)C)CN1Cc1nccn1C ZINC000086264890 179260939 /nfs/dbraw/zinc/26/09/39/179260939.db2.gz WRSWLRHEVILHOL-KGLIPLIRSA-N 1 0 278.444 2.265 10 0 CEAERO CCC1(CC)CN(Cc2ccc(OC)nc2)[C@H](C)C[NH2+]1 ZINC000086263921 179261405 /nfs/dbraw/zinc/26/14/05/179261405.db2.gz MRTITDXOCOPXJW-CYBMUJFWSA-N 1 0 277.412 2.443 10 0 CEAERO COc1cc(OC)cc(N2CCC[NH2+][C@H](C3CC3)C2)c1 ZINC000086269481 179261663 /nfs/dbraw/zinc/26/16/63/179261663.db2.gz ZSUGIIVKQZTTDG-INIZCTEOSA-N 1 0 276.380 2.282 10 0 CEAERO CC(C)C[C@H]1CN(Cc2cscn2)[C@@H](C)C[NH2+]1 ZINC000086265474 179261707 /nfs/dbraw/zinc/26/17/07/179261707.db2.gz DWSUTENEYCLNJZ-RYUDHWBXSA-N 1 0 253.415 2.352 10 0 CEAERO C[C@H]1C[NH2+]C(C)(C)CN1CCOC1CCCCC1 ZINC000086265800 179262098 /nfs/dbraw/zinc/26/20/98/179262098.db2.gz QXGIOAPHAVDEQG-ZDUSSCGKSA-N 1 0 254.418 2.408 10 0 CEAERO C[C@@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1cscn1 ZINC000086265427 179262475 /nfs/dbraw/zinc/26/24/75/179262475.db2.gz XPDBKTIAFGPYKU-MFKMUULPSA-N 1 0 251.399 2.106 10 0 CEAERO CC[C@@H]1CN[C@](C)(C2CC2)C[N@@H+]1CC[C@@H]1CCCO1 ZINC000086258771 179257086 /nfs/dbraw/zinc/25/70/86/179257086.db2.gz BODGCBXZNIAJFF-PMPSAXMXSA-N 1 0 266.429 2.408 10 0 CEAERO CCC[C@H]1CN(Cc2ccc(OC)nc2)CCC[NH2+]1 ZINC000086296404 179267379 /nfs/dbraw/zinc/26/73/79/179267379.db2.gz PZJUAIOLKFPIIU-AWEZNQCLSA-N 1 0 263.385 2.054 10 0 CEAERO C[C@]1(C2CC2)CN(CCc2nccs2)CCC[NH2+]1 ZINC000086296849 179267475 /nfs/dbraw/zinc/26/74/75/179267475.db2.gz AGKCPJITSWIORM-CQSZACIVSA-N 1 0 265.426 2.150 10 0 CEAERO C[C@H](C(=O)Nc1ncccc1O)[C@H]([NH3+])c1ccccc1 ZINC000128604324 187380051 /nfs/dbraw/zinc/38/00/51/187380051.db2.gz UTRDLOIFSRMIAT-GWCFXTLKSA-N 1 0 271.320 2.062 10 0 CEAERO C[NH2+][C@@H]1CCCc2sc(N(C)C3CCOCC3)nc21 ZINC000086442930 179294062 /nfs/dbraw/zinc/29/40/62/179294062.db2.gz RBBRXRXEFGYNIC-LLVKDONJSA-N 1 0 281.425 2.355 10 0 CEAERO CCN(C[C@@H]1CCCO1)c1nc2c(s1)CCC[C@@H]2[NH3+] ZINC000086443305 179294195 /nfs/dbraw/zinc/29/41/95/179294195.db2.gz ZHIGJGOFIVHBLU-QWRGUYRKSA-N 1 0 281.425 2.485 10 0 CEAERO CC[C@@H]1CN(Cc2c(C)noc2C)[C@@H](CC)C[NH2+]1 ZINC000086445752 179294739 /nfs/dbraw/zinc/29/47/39/179294739.db2.gz UMJIVEYYUGRWMV-OLZOCXBDSA-N 1 0 251.374 2.254 10 0 CEAERO CC[C@H]1CN(C(=O)COc2ccccc2)[C@@H](CC)C[NH2+]1 ZINC000086446566 179294751 /nfs/dbraw/zinc/29/47/51/179294751.db2.gz YEAMTKHWNIXAFL-KBPBESRZSA-N 1 0 276.380 2.054 10 0 CEAERO CC[C@@H]1CN(C(=O)c2ccc(OC)c(F)c2)[C@@H](CC)C[NH2+]1 ZINC000086446601 179294867 /nfs/dbraw/zinc/29/48/67/179294867.db2.gz RUOQSBMSGDOGKL-OLZOCXBDSA-N 1 0 294.370 2.437 10 0 CEAERO CC[C@@H]1CN(C(=O)c2ccc(C)nc2C)[C@H](CC)C[NH2+]1 ZINC000086446148 179294981 /nfs/dbraw/zinc/29/49/81/179294981.db2.gz KVRZEVNWHWKVRP-ZIAGYGMSSA-N 1 0 275.396 2.301 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)c1ccc(OC)cc1 ZINC000086446989 179295556 /nfs/dbraw/zinc/29/55/56/179295556.db2.gz FUAQJBBQQXIYJC-UONOGXRCSA-N 1 0 276.380 2.298 10 0 CEAERO CC[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)[C@@H](CC)C[NH2+]1 ZINC000086447291 179295848 /nfs/dbraw/zinc/29/58/48/179295848.db2.gz DLYRDPVVYBKVBX-OLZOCXBDSA-N 1 0 290.363 2.018 10 0 CEAERO CC[C@@H]1CN(C(=O)CC[C@@H]2CCCCO2)[C@H](CC)C[NH2+]1 ZINC000086447807 179295756 /nfs/dbraw/zinc/29/57/56/179295756.db2.gz GBIHDVUYDCHLLY-KFWWJZLASA-N 1 0 282.428 2.325 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)c1ccc2[nH]cnc2c1 ZINC000086447568 179295935 /nfs/dbraw/zinc/29/59/35/179295935.db2.gz VABLBBDBJCNYGK-QWHCGFSZSA-N 1 0 286.379 2.166 10 0 CEAERO CC[NH+](CC)CCc1nc2c(s1)CCC[C@H]2O ZINC000086441082 179293177 /nfs/dbraw/zinc/29/31/77/179293177.db2.gz FUOQUMMAPYIQAQ-SNVBAGLBSA-N 1 0 254.399 2.397 10 0 CEAERO c1ccc2c(c1)C[C@@H]2c1noc(C[C@@H]2CCC[NH2+]C2)n1 ZINC000086486574 179301948 /nfs/dbraw/zinc/30/19/48/179301948.db2.gz OIFLQBMVJBBZQE-FZMZJTMJSA-N 1 0 269.348 2.300 10 0 CEAERO Cc1cc(C[C@H](C)[NH3+])nc([C@H]2Cc3ccccc32)n1 ZINC000086490808 179302446 /nfs/dbraw/zinc/30/24/46/179302446.db2.gz URXLDBNHXDXDMC-BONVTDFDSA-N 1 0 253.349 2.363 10 0 CEAERO C[NH2+][C@H](C)CCc1nc([C@@H]2Cc3ccccc32)no1 ZINC000086492195 179302651 /nfs/dbraw/zinc/30/26/51/179302651.db2.gz SKAXLYMKXUGONA-ZWNOBZJWSA-N 1 0 257.337 2.298 10 0 CEAERO COC(OC)[C@@H]([NH3+])Cc1ccc(Cl)c(Cl)c1 ZINC000086451928 179296575 /nfs/dbraw/zinc/29/65/75/179296575.db2.gz KYWWJKHIPBCUMH-JTQLQIEISA-N 1 0 264.152 2.482 10 0 CEAERO CCN1C(=[NH2+])NC[C@H]1c1cc(Br)cs1 ZINC000086459615 179296618 /nfs/dbraw/zinc/29/66/18/179296618.db2.gz LLFFSPFFQZYURI-ZETCQYMHSA-N 1 0 274.187 2.202 10 0 CEAERO CCN1C(=[NH2+])NC[C@@H]1c1ccc(Br)s1 ZINC000086459636 179296636 /nfs/dbraw/zinc/29/66/36/179296636.db2.gz XNBBPTDDLDRDRG-ZCFIWIBFSA-N 1 0 274.187 2.202 10 0 CEAERO CC[C@@H]1CN([C@@H](C)C(=O)NC2CCCCC2)[C@@H](CC)C[NH2+]1 ZINC000086464913 179297103 /nfs/dbraw/zinc/29/71/03/179297103.db2.gz PSZLACDGEKDMGK-LZWOXQAQSA-N 1 0 295.471 2.286 10 0 CEAERO [NH3+][C@H](CCO)c1nc2ccc(Br)cc2s1 ZINC000086479108 179300228 /nfs/dbraw/zinc/30/02/28/179300228.db2.gz JURBWIJTYQZHHG-SSDOTTSWSA-N 1 0 287.182 2.441 10 0 CEAERO [NH2+]=C1NC[C@H](c2ccccc2Br)N1C1CC1 ZINC000086472993 179300234 /nfs/dbraw/zinc/30/02/34/179300234.db2.gz MVBIVKDPEOPBPQ-LLVKDONJSA-N 1 0 280.169 2.283 10 0 CEAERO [NH3+][C@H](Cc1csc2ccccc12)[C@H]1CCS(=O)(=O)C1 ZINC000086566394 179307599 /nfs/dbraw/zinc/30/75/99/179307599.db2.gz DQKRIHZQJLDGMW-GXFFZTMASA-N 1 0 295.429 2.206 10 0 CEAERO CO[C@@H](C)[C@@H]([NH3+])Cc1cc(Br)cs1 ZINC000086576169 179308475 /nfs/dbraw/zinc/30/84/75/179308475.db2.gz LHFMQGVENGQUEE-RCOVLWMOSA-N 1 0 264.188 2.415 10 0 CEAERO CCn1nc(C)c(Br)c1C/C=C/CC[NH3+] ZINC000086570861 179308768 /nfs/dbraw/zinc/30/87/68/179308768.db2.gz UMCWTFRAKAEGKR-SNAWJCMRSA-N 1 0 272.190 2.421 10 0 CEAERO CO[C@H](C)[C@@H]([NH3+])Cc1ccc(F)cc1Br ZINC000086576155 179308830 /nfs/dbraw/zinc/30/88/30/179308830.db2.gz DOKWIUBYSHWDCV-HQJQHLMTSA-N 1 0 276.149 2.493 10 0 CEAERO CCOCCc1nc2cc(C[NH3+])ccc2n1C1CC1 ZINC000086641584 179315239 /nfs/dbraw/zinc/31/52/39/179315239.db2.gz GMLSVFJNMNKWGV-UHFFFAOYSA-N 1 0 259.353 2.409 10 0 CEAERO COC[C@@H]([NH3+])CCc1cc(F)cc(Br)c1 ZINC000086695182 179320546 /nfs/dbraw/zinc/32/05/46/179320546.db2.gz CLMZGAFNFOUDGB-NSHDSACASA-N 1 0 276.149 2.495 10 0 CEAERO COC[C@H]([NH2+][C@H]1CCS(=O)(=O)c2ccccc21)C(C)C ZINC000086696942 179320930 /nfs/dbraw/zinc/32/09/30/179320930.db2.gz RGJMENLUVMSLHO-KBPBESRZSA-N 1 0 297.420 2.166 10 0 CEAERO C[NH2+]CCOCc1cc(F)cc(Br)c1 ZINC000086694882 179321029 /nfs/dbraw/zinc/32/10/29/179321029.db2.gz BDUNATGSDGFNDA-UHFFFAOYSA-N 1 0 262.122 2.324 10 0 CEAERO CCC(CC)(CC)NS(=O)(=O)CC[C@H]1CCCC[NH2+]1 ZINC000086645554 179316540 /nfs/dbraw/zinc/31/65/40/179316540.db2.gz UPCWUSCYLYWCCW-CYBMUJFWSA-N 1 0 290.473 2.407 10 0 CEAERO CCC[NH2+][C@@](C)(CO)CSc1nc(C)c(C)c(C)n1 ZINC000086646877 179316547 /nfs/dbraw/zinc/31/65/47/179316547.db2.gz HKFMONQVWPUSAP-AWEZNQCLSA-N 1 0 283.441 2.245 10 0 CEAERO CCC(CC)(CC)NS(=O)(=O)C[C@@H]1CCCC[NH2+]1 ZINC000086647085 179316566 /nfs/dbraw/zinc/31/65/66/179316566.db2.gz XNWFECYEHKDLDA-LBPRGKRZSA-N 1 0 276.446 2.017 10 0 CEAERO c1ccc2c(c1)OC[C@@H]2N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130230189 365936506 /nfs/dbraw/zinc/93/65/06/365936506.db2.gz OQKDNFXVWXNZBB-GUTXKFCHSA-N 1 0 258.365 2.337 10 0 CEAERO COC(=O)c1ccccc1C[N@@H+]1CCC[C@H]1CCCO ZINC000130276837 365940260 /nfs/dbraw/zinc/94/02/60/365940260.db2.gz VGWWOPYUGNZENZ-AWEZNQCLSA-N 1 0 277.364 2.210 10 0 CEAERO CCC[NH+]1CCN(Cc2cnc(Cl)s2)CC1 ZINC000086776375 179329234 /nfs/dbraw/zinc/32/92/34/179329234.db2.gz BGVNTUIZPHIAOR-UHFFFAOYSA-N 1 0 259.806 2.324 10 0 CEAERO COC(=O)[C@@H](C)OC1(C[NH3+])CCC(C(C)(C)C)CC1 ZINC000086713711 179322792 /nfs/dbraw/zinc/32/27/92/179322792.db2.gz PTBJYUXNIFTBCI-XIKARTHZSA-N 1 0 271.401 2.498 10 0 CEAERO CN(C)C(=O)COC1(C[NH3+])CCC(C(C)(C)C)CC1 ZINC000086713653 179322882 /nfs/dbraw/zinc/32/28/82/179322882.db2.gz DGUYJFLWXYMTRW-UHFFFAOYSA-N 1 0 270.417 2.025 10 0 CEAERO COC(=O)CCOC1(C[NH3+])CCC(C(C)(C)C)CC1 ZINC000086713665 179322905 /nfs/dbraw/zinc/32/29/05/179322905.db2.gz UWSOGWYOEBEUDD-UHFFFAOYSA-N 1 0 271.401 2.500 10 0 CEAERO CC(C)C1CCC(C[NH3+])(OCCCC(=O)N(C)C)CC1 ZINC000086713574 179322913 /nfs/dbraw/zinc/32/29/13/179322913.db2.gz MAUIVBUMSZXFJI-UHFFFAOYSA-N 1 0 284.444 2.415 10 0 CEAERO CCC[NH+]1CCC([N@@H+]2CCC[C@](C)(C(=O)[O-])C2)CC1 ZINC000086783037 179331209 /nfs/dbraw/zinc/33/12/09/179331209.db2.gz LKIBIPSQCWGSPS-HNNXBMFYSA-N 1 0 268.401 2.048 10 0 CEAERO CCC[NH+]1CCC([N@@H+]2CCC[C@@](C)(C(=O)[O-])C2)CC1 ZINC000086783035 179331225 /nfs/dbraw/zinc/33/12/25/179331225.db2.gz LKIBIPSQCWGSPS-OAHLLOKOSA-N 1 0 268.401 2.048 10 0 CEAERO CC(C)[NH+]1CCC([NH2+][C@H]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000086787778 179333417 /nfs/dbraw/zinc/33/34/17/179333417.db2.gz KLVQGPXCPTUUAG-JSGCOSHPSA-N 1 0 268.401 2.092 10 0 CEAERO CCC1(C(=O)[O-])CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000086789070 179333789 /nfs/dbraw/zinc/33/37/89/179333789.db2.gz QKBZLQOLDRNGRG-UHFFFAOYSA-N 1 0 282.428 2.436 10 0 CEAERO COC(=O)[C@@]1(Nc2ccc(OC)cc2)CCC[N@H+](C)CC1 ZINC000086819797 179348212 /nfs/dbraw/zinc/34/82/12/179348212.db2.gz WUCUNHFRGXJTEG-MRXNPFEDSA-N 1 0 292.379 2.135 10 0 CEAERO CN[C@]1(c2nc3c(s2)CCC3)CCC[N@H+](C)CC1 ZINC000086833651 179349752 /nfs/dbraw/zinc/34/97/52/179349752.db2.gz XUOLJFUTPDYGKY-CQSZACIVSA-N 1 0 265.426 2.162 10 0 CEAERO C[N@@H+]1CCC[C@@H](Nc2ccc(C(N)=O)c(Cl)c2)CC1 ZINC000086818366 179346957 /nfs/dbraw/zinc/34/69/57/179346957.db2.gz RBKJHTLASGZUMQ-SNVBAGLBSA-N 1 0 281.787 2.335 10 0 CEAERO CCc1nc([C@]2(N)CCC[N@H+](C)CC2)sc1C ZINC000086833634 179350416 /nfs/dbraw/zinc/35/04/16/179350416.db2.gz PGTXKBYNBSRAPN-ZDUSSCGKSA-N 1 0 253.415 2.284 10 0 CEAERO CCC[N@@H+]1CCC[C@@](Nc2ccccc2)(C(N)=O)CC1 ZINC000086849322 179357650 /nfs/dbraw/zinc/35/76/50/179357650.db2.gz SVMSXSTUADHCOG-INIZCTEOSA-N 1 0 275.396 2.219 10 0 CEAERO CC(C)[N@@H+]1CCC[C@@H](NCc2cccc(C(N)=O)c2)CC1 ZINC000086837638 179351191 /nfs/dbraw/zinc/35/11/91/179351191.db2.gz IPKIAXMRVNLWIY-MRXNPFEDSA-N 1 0 289.423 2.138 10 0 CEAERO CC[N@@H+]1CCC[C@](O)(c2cc(Cl)cnc2N)CC1 ZINC000086852296 179359686 /nfs/dbraw/zinc/35/96/86/179359686.db2.gz JUVQWIVUFPGADA-CYBMUJFWSA-N 1 0 269.776 2.011 10 0 CEAERO Cc1cccnc1-c1noc([C@H]2CCCC[C@H]2[NH3+])n1 ZINC000104059180 185888132 /nfs/dbraw/zinc/88/81/32/185888132.db2.gz BPZLJIQARJUOOA-WDEREUQCSA-N 1 0 258.325 2.425 10 0 CEAERO CC1(C)CC[C@@H](S(=O)(=O)c2cccs2)[C@H]1[NH3+] ZINC000086866846 179361019 /nfs/dbraw/zinc/36/10/19/179361019.db2.gz FEORCXQPLNJTQF-PSASIEDQSA-N 1 0 259.396 2.038 10 0 CEAERO CN(Cc1ccsc1)[C@]1(C[NH3+])CCCOCC1 ZINC000086874932 179364957 /nfs/dbraw/zinc/36/49/57/179364957.db2.gz WJQQGWSZYKHEBW-CYBMUJFWSA-N 1 0 254.399 2.078 10 0 CEAERO CC[N@@H+]1CCC[C@@H]([NH+]2CCCC[C@@H]2CC(=O)[O-])CC1 ZINC000086869041 179362684 /nfs/dbraw/zinc/36/26/84/179362684.db2.gz OICMLVDZPKRLQV-ZIAGYGMSSA-N 1 0 268.401 2.190 10 0 CEAERO CC(C)(C)[C@H](Cn1ccnc1)[NH2+][C@H]1CCCOCC1 ZINC000086873187 179364668 /nfs/dbraw/zinc/36/46/68/179364668.db2.gz GWKQMBSXNXORIN-KBPBESRZSA-N 1 0 265.401 2.457 10 0 CEAERO CN(Cc1ccc(F)cc1)[C@@]1(C[NH3+])CCCOCC1 ZINC000086875092 179364753 /nfs/dbraw/zinc/36/47/53/179364753.db2.gz YQVZFVSMBUDDRV-HNNXBMFYSA-N 1 0 266.360 2.156 10 0 CEAERO CC[C@@H](C)N[C@@]1(C(=O)OC)CCC[N@@H+](C(C)C)CC1 ZINC000086850502 179358007 /nfs/dbraw/zinc/35/80/07/179358007.db2.gz YAPLAKACIMPNGI-HIFRSBDPSA-N 1 0 270.417 2.181 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH3+])c1cccc(C)c1 ZINC000086978632 179372576 /nfs/dbraw/zinc/37/25/76/179372576.db2.gz FAODQPDUYVPZST-ZDUSSCGKSA-N 1 0 255.383 2.210 10 0 CEAERO CCOC(=O)C[C@@]1([NH+]2CCCCC2)CCCOCC1 ZINC000086877735 179365416 /nfs/dbraw/zinc/36/54/16/179365416.db2.gz BVPUSUGYDOUPPG-OAHLLOKOSA-N 1 0 269.385 2.365 10 0 CEAERO Cc1nn(C)c(C=C2CC[NH2+]CC2)c1Br ZINC000086880815 179365430 /nfs/dbraw/zinc/36/54/30/179365430.db2.gz JPDMGQNQXOMBIR-UHFFFAOYSA-N 1 0 270.174 2.258 10 0 CEAERO CSC[C@@H]([NH3+])[C@H]1CCOC2(CCSCC2)C1 ZINC000086911938 179366858 /nfs/dbraw/zinc/36/68/58/179366858.db2.gz CMZDDRFRXHCOND-WDEREUQCSA-N 1 0 261.456 2.369 10 0 CEAERO CCC[C@H]1CCC[C@@](NCC[NH+](C)C)(C(=O)OC)CC1 ZINC000086949894 179368531 /nfs/dbraw/zinc/36/85/31/179368531.db2.gz WFAOADSZRPTFJC-HOCLYGCPSA-N 1 0 284.444 2.430 10 0 CEAERO CC(C)[C@H]1CCC[C@@](CO)([NH2+]CCN(C)C)CC1 ZINC000086952259 179369026 /nfs/dbraw/zinc/36/90/26/179369026.db2.gz HIEUQSXFQXBRCO-LSDHHAIUSA-N 1 0 256.434 2.105 10 0 CEAERO CC(C)(C)[C@@H]1CCC[C@@H]([NH2+]CCCS(N)(=O)=O)CC1 ZINC000086957959 179369068 /nfs/dbraw/zinc/36/90/68/179369068.db2.gz HGIWTTMCZBVDOI-CHWSQXEVSA-N 1 0 290.473 2.250 10 0 CEAERO COCCC[C@@H]([NH3+])Cc1ncc(C)c(OC)c1C ZINC000086963638 179369691 /nfs/dbraw/zinc/36/96/91/179369691.db2.gz BWKQSQUWDNMCDN-GFCCVEGCSA-N 1 0 252.358 2.003 10 0 CEAERO CCC[NH2+][C@H](CCCOC)Cc1cccnc1N ZINC000086970591 179370468 /nfs/dbraw/zinc/37/04/68/179370468.db2.gz NVMZYPAAVGJWRN-CYBMUJFWSA-N 1 0 251.374 2.001 10 0 CEAERO C[NH2+][C@@H](CCCOC)Cc1ccc(OC)c(F)c1 ZINC000086969794 179370540 /nfs/dbraw/zinc/37/05/40/179370540.db2.gz OFRQSLDWFPIVHM-LBPRGKRZSA-N 1 0 255.333 2.391 10 0 CEAERO COCCCc1noc([C@H]2CCCCC[C@@H]2[NH3+])n1 ZINC000086971792 179370980 /nfs/dbraw/zinc/37/09/80/179370980.db2.gz IFFAUTCFHLVTDS-QWRGUYRKSA-N 1 0 253.346 2.024 10 0 CEAERO CCS(=O)(=O)CCCOc1ccc(CC[C@H](C)[NH3+])cc1 ZINC000086972644 179371485 /nfs/dbraw/zinc/37/14/85/179371485.db2.gz JDMRGAPRWZQIQI-ZDUSSCGKSA-N 1 0 299.436 2.170 10 0 CEAERO CCS(=O)(=O)CCC[C@](C)([NH3+])c1ccc(F)cc1 ZINC000086977334 179372035 /nfs/dbraw/zinc/37/20/35/179372035.db2.gz JYPLOLQHZLWZIB-ZDUSSCGKSA-N 1 0 273.373 2.215 10 0 CEAERO Cc1cc([C@@H]([NH3+])CCCC(N)=O)sc1Br ZINC000087019498 179381135 /nfs/dbraw/zinc/38/11/35/179381135.db2.gz DPRBTOMNAMGEHK-ZETCQYMHSA-N 1 0 291.214 2.474 10 0 CEAERO CC[NH2+]CCNC(=O)c1cc(C)c(Br)s1 ZINC000087018500 179381177 /nfs/dbraw/zinc/38/11/77/179381177.db2.gz IMBOHDASDBCCNU-UHFFFAOYSA-N 1 0 291.214 2.158 10 0 CEAERO CC[C@@](C)(O)C[NH2+]CC(=O)Nc1cc(Cl)ccc1C ZINC000087028039 179381711 /nfs/dbraw/zinc/38/17/11/179381711.db2.gz HNGHFKGQWNLNEK-CQSZACIVSA-N 1 0 284.787 2.338 10 0 CEAERO CCC(O)(CC)C[NH2+]C[C@H](O)COc1cc(C)cc(C)c1 ZINC000087028238 179381721 /nfs/dbraw/zinc/38/17/21/179381721.db2.gz XDSAYRLKROZODO-HNNXBMFYSA-N 1 0 295.423 2.184 10 0 CEAERO CCC(O)(CC)C[NH2+]C[C@H](O)c1ccc(F)cc1F ZINC000087028483 179381795 /nfs/dbraw/zinc/38/17/95/179381795.db2.gz HOMJWAVROCFRIM-ZDUSSCGKSA-N 1 0 273.323 2.139 10 0 CEAERO COc1ccc([C@H](C[NH3+])N2CCC[C@@H]2C)cc1F ZINC000086983657 179374121 /nfs/dbraw/zinc/37/41/21/179374121.db2.gz BILKBWRSBNMQET-GWCFXTLKSA-N 1 0 252.333 2.318 10 0 CEAERO CC[NH2+][C@@H](CCC(F)(F)F)[C@@H]1CSCCO1 ZINC000086989219 179374500 /nfs/dbraw/zinc/37/45/00/179374500.db2.gz GCUIZJKUVCUXBK-IUCAKERBSA-N 1 0 257.321 2.439 10 0 CEAERO COc1ccc([C@H]2[C@H](C[NH2+]C(C)C)OCCN2C)cc1F ZINC000086995011 179376210 /nfs/dbraw/zinc/37/62/10/179376210.db2.gz AWQSKHCTILTULJ-HOTGVXAUSA-N 1 0 296.386 2.204 10 0 CEAERO CCN1C(=O)CCC[C@@H]([NH3+])[C@H]1c1ccc(OC)c(F)c1 ZINC000086995299 179376405 /nfs/dbraw/zinc/37/64/05/179376405.db2.gz JSXPTMZAGKEERH-IUODEOHRSA-N 1 0 280.343 2.235 10 0 CEAERO C[C@H](NC(=O)c1c(F)cc(F)cc1F)[C@H]1CCCC[NH2+]1 ZINC000086996391 179376983 /nfs/dbraw/zinc/37/69/83/179376983.db2.gz AFZGGJDDFVFTQZ-QPUJVOFHSA-N 1 0 286.297 2.364 10 0 CEAERO CCC(CC)(C[NH3+])NC(=O)c1c(F)cc(F)cc1F ZINC000086997998 179377204 /nfs/dbraw/zinc/37/72/04/179377204.db2.gz CXSRQGXWMKXCJA-UHFFFAOYSA-N 1 0 274.286 2.351 10 0 CEAERO [NH3+]CC[C@H]1CCCCN1C(=O)c1c(F)cc(F)cc1F ZINC000086998018 179377526 /nfs/dbraw/zinc/37/75/26/179377526.db2.gz WRHRBAQGTNZQNF-SNVBAGLBSA-N 1 0 286.297 2.447 10 0 CEAERO C[C@@H]([NH2+]CC1(O)CCC(C)(C)CC1)c1cnccn1 ZINC000087046547 179388166 /nfs/dbraw/zinc/38/81/66/179388166.db2.gz OKWXFZAZSDCQLV-GFCCVEGCSA-N 1 0 263.385 2.459 10 0 CEAERO COC(=O)[C@@H](C[NH2+]CC1(O)CCCCC1)c1ccccc1 ZINC000087029095 179382545 /nfs/dbraw/zinc/38/25/45/179382545.db2.gz XSYWTJFUAGJCDE-HNNXBMFYSA-N 1 0 291.391 2.228 10 0 CEAERO CCC1CCC(O)(C[NH2+]Cc2c(C)n[nH]c2C)CC1 ZINC000087061215 179389432 /nfs/dbraw/zinc/38/94/32/179389432.db2.gz REOIIOKOYKJKJP-UHFFFAOYSA-N 1 0 265.401 2.447 10 0 CEAERO COc1cc(OC)c([C@H]2C[NH2+]CC(C)(C)O2)cc1OC ZINC000087090394 179394237 /nfs/dbraw/zinc/39/42/37/179394237.db2.gz CNMQMKTYQNTCOO-CQSZACIVSA-N 1 0 281.352 2.152 10 0 CEAERO Cc1nc(C[NH2+]C[C@@]2(O)CCC[C@H](C)C2)oc1C ZINC000087065469 179389948 /nfs/dbraw/zinc/38/99/48/179389948.db2.gz RWJIITTXUDDDIR-IINYFYTJSA-N 1 0 252.358 2.322 10 0 CEAERO CC1(C)CCC(O)(C[NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000087063655 179389994 /nfs/dbraw/zinc/38/99/94/179389994.db2.gz LSSIPPKSYQRVDZ-CHWSQXEVSA-N 1 0 255.402 2.211 10 0 CEAERO CC(C)CNC(=O)[C@H](C)[NH2+]CC1(O)CCC(C)(C)CC1 ZINC000087063493 179390025 /nfs/dbraw/zinc/39/00/25/179390025.db2.gz VZBPKFIUVWTZFV-ZDUSSCGKSA-N 1 0 284.444 2.068 10 0 CEAERO CO[C@@H]1C[NH2+][C@@H](c2nc(CSC(C)(C)C)no2)C1 ZINC000087115801 179395703 /nfs/dbraw/zinc/39/57/03/179395703.db2.gz IFUKYCCIKKAPFN-DTWKUNHWSA-N 1 0 271.386 2.151 10 0 CEAERO Cc1ccccc1NC(=O)C[NH2+]CC1(O)CCC(C)CC1 ZINC000087063272 179390367 /nfs/dbraw/zinc/39/03/67/179390367.db2.gz RNUNGZYKLFUYMA-UHFFFAOYSA-N 1 0 290.407 2.464 10 0 CEAERO CC[NH2+][C@@H](CSC(C)(C)C)Cc1cnn(C)c1 ZINC000087118446 179395753 /nfs/dbraw/zinc/39/57/53/179395753.db2.gz MBMZXZRIJABICF-GFCCVEGCSA-N 1 0 255.431 2.472 10 0 CEAERO CCC[NH2+][C@@H]1CCCN(CC2(O)CCCCCC2)C1=O ZINC000087089774 179393353 /nfs/dbraw/zinc/39/33/53/179393353.db2.gz UUBMSQJADVRMSA-CQSZACIVSA-N 1 0 282.428 2.062 10 0 CEAERO COc1cc(OC)cc([C@H]2C[NH2+]CC(C)(C)O2)c1 ZINC000087090445 179393967 /nfs/dbraw/zinc/39/39/67/179393967.db2.gz FJRUZNJSZQIYJA-CYBMUJFWSA-N 1 0 251.326 2.143 10 0 CEAERO COc1ccc(C[NH3+])cc1OCC[C@@H]1CCCO1 ZINC000087245683 179404612 /nfs/dbraw/zinc/40/46/12/179404612.db2.gz NEBUCTKTMCFISH-LBPRGKRZSA-N 1 0 251.326 2.102 10 0 CEAERO CCOc1ccc(NC(=O)C[C@H]2CCCO2)cc1C[NH3+] ZINC000087244982 179404718 /nfs/dbraw/zinc/40/47/18/179404718.db2.gz QVUGZDGMKDTMTA-CYBMUJFWSA-N 1 0 278.352 2.052 10 0 CEAERO CC(C)C[N@@H+](CCC(N)=S)CC[C@@H]1CCCO1 ZINC000087248436 179405123 /nfs/dbraw/zinc/40/51/23/179405123.db2.gz ZAHIRGPBXMDYAE-LBPRGKRZSA-N 1 0 258.431 2.190 10 0 CEAERO CC[NH2+][C@@H](COC)Cc1nc(CSCC(C)C)no1 ZINC000087126000 179396288 /nfs/dbraw/zinc/39/62/88/179396288.db2.gz GBARRSMQQMTUDH-LLVKDONJSA-N 1 0 287.429 2.126 10 0 CEAERO [NH3+]C[C@@H](c1ccccc1)[C@@H](O)c1ccc2c(c1)COC2 ZINC000087350062 179415227 /nfs/dbraw/zinc/41/52/27/179415227.db2.gz UHDILVWAPRFBGG-IRXDYDNUSA-N 1 0 269.344 2.493 10 0 CEAERO COc1ccc(OC)c([C@H](O)[C@@H](C[NH3+])CC(C)C)c1 ZINC000087379237 179417577 /nfs/dbraw/zinc/41/75/77/179417577.db2.gz CCBGUFMEXBOUOX-IAQYHMDHSA-N 1 0 267.369 2.358 10 0 CEAERO CC(C)[C@H](C)[C@@H](O)[C@@H](C[NH3+])c1ccc2c(c1)OCCO2 ZINC000087382045 179417604 /nfs/dbraw/zinc/41/76/04/179417604.db2.gz HHZLZEGNOSFLJO-DETPVDSQSA-N 1 0 279.380 2.153 10 0 CEAERO C[NH2+][C@@H]1CCCCC[C@H]1c1nc(-c2ccn(C)n2)no1 ZINC000087426703 179424349 /nfs/dbraw/zinc/42/43/49/179424349.db2.gz CMNLCQGEEXMSHW-GHMZBOCLSA-N 1 0 275.356 2.106 10 0 CEAERO Cc1nc(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cs1 ZINC000087428997 179425325 /nfs/dbraw/zinc/42/53/25/179425325.db2.gz TVXFNZCEGVOYHA-LBPRGKRZSA-N 1 0 279.409 2.056 10 0 CEAERO CC[C@H](C[NH3+])c1nc(-c2ccc(F)c(F)c2)no1 ZINC000087499063 179435892 /nfs/dbraw/zinc/43/58/92/179435892.db2.gz OCNCRMJYGRXNQH-SSDOTTSWSA-N 1 0 253.252 2.467 10 0 CEAERO CCC[C@@H](C[NH3+])c1nc(Cc2ccc(O)cc2)no1 ZINC000087497174 179436042 /nfs/dbraw/zinc/43/60/42/179436042.db2.gz MRKRNSZBPVSNQQ-NSHDSACASA-N 1 0 261.325 2.208 10 0 CEAERO CCCN(c1ncns1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000087642464 179462196 /nfs/dbraw/zinc/46/21/96/179462196.db2.gz KWSMMGIPIOUUPY-ZACCUICWSA-N 1 0 252.387 2.038 10 0 CEAERO O[C@H](c1occc1Br)C1CC[NH2+]CC1 ZINC000087650282 179463737 /nfs/dbraw/zinc/46/37/37/179463737.db2.gz JBFWMMSAJAPEFK-VIFPVBQESA-N 1 0 260.131 2.075 10 0 CEAERO [NH3+]C1CC(Nc2c3nsnc3ccc2Cl)C1 ZINC000087652076 179463835 /nfs/dbraw/zinc/46/38/35/179463835.db2.gz UPMHQLJSDXNWBO-UHFFFAOYSA-N 1 0 254.746 2.246 10 0 CEAERO CCN(CC)c1nc(C)c(C[C@H](C)C[NH3+])c(C)n1 ZINC000087706827 179473800 /nfs/dbraw/zinc/47/38/00/179473800.db2.gz NDZOTEARAOESRI-JTQLQIEISA-N 1 0 250.390 2.077 10 0 CEAERO C[C@H]([NH3+])[C@@H](Sc1ncns1)c1ccncc1 ZINC000087513747 179437826 /nfs/dbraw/zinc/43/78/26/179437826.db2.gz LRWMRSVYTKMCFE-IONNQARKSA-N 1 0 252.368 2.114 10 0 CEAERO [NH3+]C[C@@H](Sc1ncns1)c1ccc(F)cc1 ZINC000087513813 179438152 /nfs/dbraw/zinc/43/81/52/179438152.db2.gz ZAVDTKAMQZGYRX-SECBINFHSA-N 1 0 255.343 2.469 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)Nc1ccc(N(C)C)cc1C ZINC000087517370 179438353 /nfs/dbraw/zinc/43/83/53/179438353.db2.gz ZBKYYFRQNWNTCF-LBPRGKRZSA-N 1 0 263.385 2.375 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)Nc1ccc(N(C)C)cc1C ZINC000087517372 179438480 /nfs/dbraw/zinc/43/84/80/179438480.db2.gz ZBKYYFRQNWNTCF-GFCCVEGCSA-N 1 0 263.385 2.375 10 0 CEAERO Cc1nc(C)c([C@H](C)NC(=O)[C@H](C[NH3+])C(C)C)s1 ZINC000087530884 179441631 /nfs/dbraw/zinc/44/16/31/179441631.db2.gz RCDPXZUOQHIMNU-GXSJLCMTSA-N 1 0 269.414 2.168 10 0 CEAERO C[NH2+]C1(CC(=O)Nc2ccc(C(N)=O)cc2)CCCCC1 ZINC000087576652 179448684 /nfs/dbraw/zinc/44/86/84/179448684.db2.gz JDIYMAKWHQCDQS-UHFFFAOYSA-N 1 0 289.379 2.036 10 0 CEAERO Cc1nn(-c2cc(NN)[nH+]c(C(C)C)n2)cc1Cl ZINC000087910150 179517225 /nfs/dbraw/zinc/51/72/25/179517225.db2.gz FKWVOJSCWHCUQW-UHFFFAOYSA-N 1 0 266.736 2.033 10 0 CEAERO OCCc1ccc([C@@H]2C[N@H+](Cc3ccccc3)CCN2)cc1 ZINC000616632116 348540879 /nfs/dbraw/zinc/54/08/79/348540879.db2.gz MZKPDLQYXRBOGU-IBGZPJMESA-N 1 0 296.414 2.368 10 0 CEAERO CC(C)(C)N1CC[NH2+]C[C@@H]1c1cc2ccccc2nn1 ZINC000616637258 348543299 /nfs/dbraw/zinc/54/32/99/348543299.db2.gz IKFCLYNMBRPFEB-OAHLLOKOSA-N 1 0 270.380 2.375 10 0 CEAERO CC(C)(C)N1CC[NH2+]C[C@@H]1c1cnnc2ccccc21 ZINC000616638385 348543333 /nfs/dbraw/zinc/54/33/33/348543333.db2.gz YIKDZOBHGCLCND-OAHLLOKOSA-N 1 0 270.380 2.375 10 0 CEAERO CC(C)[N@@H+]1CCCOC[C@@H]1c1cccc(CCO)c1 ZINC000616644702 348545359 /nfs/dbraw/zinc/54/53/59/348545359.db2.gz CVURTKHGMFKUBU-MRXNPFEDSA-N 1 0 263.381 2.393 10 0 CEAERO CC[C@H]1C[C@](C[NH3+])(Nc2cccc(OC)c2)CCO1 ZINC000087916604 179522731 /nfs/dbraw/zinc/52/27/31/179522731.db2.gz FVQRIEUVAMIURZ-DZGCQCFKSA-N 1 0 264.369 2.394 10 0 CEAERO [NH3+]C[C@]1(Cc2cccc(F)c2F)CCCC[C@H]1O ZINC000087931679 179526316 /nfs/dbraw/zinc/52/63/16/179526316.db2.gz WYTAWHABSLONIP-TZMCWYRMSA-N 1 0 255.308 2.387 10 0 CEAERO C[NH+](C)CC(C)(C)CNc1ncnc2cc(N)ccc21 ZINC000087819702 179492835 /nfs/dbraw/zinc/49/28/35/179492835.db2.gz RDSCZKUHLFGEAI-UHFFFAOYSA-N 1 0 273.384 2.212 10 0 CEAERO CCOC(=O)c1cccc([C@H]2C[N@H+](C)CCCO2)c1 ZINC000616652530 348549300 /nfs/dbraw/zinc/54/93/00/348549300.db2.gz PKUFRISZWHWCOE-CQSZACIVSA-N 1 0 263.337 2.257 10 0 CEAERO CC(C)(C)[N@@H+]1CCCO[C@@H](c2ccccc2C(N)=O)C1 ZINC000616652737 348549388 /nfs/dbraw/zinc/54/93/88/348549388.db2.gz JKLAASDLCWPNIO-CQSZACIVSA-N 1 0 276.380 2.347 10 0 CEAERO C[C@H](CC[NH3+])CCc1nnc2ccc(Br)cn21 ZINC000087846831 179499621 /nfs/dbraw/zinc/49/96/21/179499621.db2.gz PNTAXDKZVIDPMM-VIFPVBQESA-N 1 0 297.200 2.409 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1c1nnc2ccc(Br)cn21 ZINC000087846841 179499721 /nfs/dbraw/zinc/49/97/21/179499721.db2.gz UOGZLPFRXDFNBK-NXEZZACHSA-N 1 0 295.184 2.477 10 0 CEAERO CCC[C@@H](C)N(C)c1cc(NN)[nH+]c(SC)n1 ZINC000087854377 179501127 /nfs/dbraw/zinc/50/11/27/179501127.db2.gz NHWWUEVPHGVQRJ-MRVPVSSYSA-N 1 0 255.391 2.109 10 0 CEAERO CC1(C(=O)N2CC[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC1 ZINC000616569821 348523517 /nfs/dbraw/zinc/52/35/17/348523517.db2.gz KSUKZZVUXBNAEG-UONOGXRCSA-N 1 0 276.355 2.269 10 0 CEAERO CC(C)(C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000616572075 348524220 /nfs/dbraw/zinc/52/42/20/348524220.db2.gz UDPVVVSJGCEGNO-ZIAGYGMSSA-N 1 0 278.371 2.434 10 0 CEAERO NC(=O)c1cccc([C@@H]2CCc3ccccc3N2CC[NH3+])c1 ZINC000616594200 348528638 /nfs/dbraw/zinc/52/86/38/348528638.db2.gz OIZVDKVBZKETJJ-KRWDZBQOSA-N 1 0 295.386 2.238 10 0 CEAERO CC[N@@H+]1CCOC[C@@H](c2ccccc2NC(C)=O)C1 ZINC000616598046 348529150 /nfs/dbraw/zinc/52/91/50/348529150.db2.gz NTRPGLFWKBPQPD-ZDUSSCGKSA-N 1 0 262.353 2.081 10 0 CEAERO CC(C)(C)[N@@H+]1CCCOC[C@H]1c1ccccc1C(N)=O ZINC000616597158 348529206 /nfs/dbraw/zinc/52/92/06/348529206.db2.gz NWYZFTSAOHHDPX-AWEZNQCLSA-N 1 0 276.380 2.347 10 0 CEAERO CC[C@@H]1CCCN(c2nc(NN)[nH+]cc2Cl)CC1 ZINC000087880473 179508558 /nfs/dbraw/zinc/50/85/58/179508558.db2.gz IWADNFYUDODRSO-SECBINFHSA-N 1 0 269.780 2.432 10 0 CEAERO CC(C)(C)OC(=O)N1CCOCC[C@@H]1c1ccnc(N)c1 ZINC000616659268 348551051 /nfs/dbraw/zinc/55/10/51/348551051.db2.gz OXBVPDZULGCCCW-GFCCVEGCSA-N 1 0 293.367 2.193 10 0 CEAERO CCOC(=O)c1ccc([C@H]2CCCCN(CC[NH3+])C2)cc1 ZINC000616604892 348532097 /nfs/dbraw/zinc/53/20/97/348532097.db2.gz SXZITKXJTFZLOU-INIZCTEOSA-N 1 0 290.407 2.392 10 0 CEAERO Cc1cc(Oc2ccc(F)c(F)c2)nc(NN)[nH+]1 ZINC000087884914 179510977 /nfs/dbraw/zinc/51/09/77/179510977.db2.gz YCJHFRNPZBRLGJ-UHFFFAOYSA-N 1 0 252.224 2.141 10 0 CEAERO OCC[N@@H+]1CCC[C@@H](c2cccc3cnccc32)C1 ZINC000616609246 348533270 /nfs/dbraw/zinc/53/32/70/348533270.db2.gz NTIMEONLNQWFPG-CQSZACIVSA-N 1 0 256.349 2.407 10 0 CEAERO OCC[N@@H+]1CCCC[C@@H]1c1cnnc2ccccc21 ZINC000616614277 348534672 /nfs/dbraw/zinc/53/46/72/348534672.db2.gz OAPAFGKADHFWQA-OAHLLOKOSA-N 1 0 257.337 2.149 10 0 CEAERO OCC[N@@H+]1CCC[C@H](c2ccc3ccncc3c2)C1 ZINC000616618155 348535664 /nfs/dbraw/zinc/53/56/64/348535664.db2.gz OXDIMRYLGPEKFN-HNNXBMFYSA-N 1 0 256.349 2.407 10 0 CEAERO OCC[N@@H+]1CCC[C@H](c2cccc3cccnc32)C1 ZINC000616617690 348535917 /nfs/dbraw/zinc/53/59/17/348535917.db2.gz DNVLQDDLIULBDY-AWEZNQCLSA-N 1 0 256.349 2.407 10 0 CEAERO OCC[NH+]1CCC(c2ccc3cnccc3c2)CC1 ZINC000616619933 348536713 /nfs/dbraw/zinc/53/67/13/348536713.db2.gz SORZAJCNBYWSEA-UHFFFAOYSA-N 1 0 256.349 2.407 10 0 CEAERO C[NH2+][C@H](C)Cc1nc([C@@H]2CCc3ccccc3C2)no1 ZINC000088043442 179538536 /nfs/dbraw/zinc/53/85/36/179538536.db2.gz JLKFDXNBAWVWJX-BXUZGUMPSA-N 1 0 271.364 2.493 10 0 CEAERO NNc1cc(COc2c(F)cccc2F)cc[nH+]1 ZINC000088121437 179552062 /nfs/dbraw/zinc/55/20/62/179552062.db2.gz KTJXEUOTBRFFFV-UHFFFAOYSA-N 1 0 251.236 2.224 10 0 CEAERO C[NH2+][C@H]1CCCc2c(OCCCS(C)(=O)=O)cccc21 ZINC000088151444 179557753 /nfs/dbraw/zinc/55/77/53/179557753.db2.gz KAMIGRGVKXGIIV-AWEZNQCLSA-N 1 0 297.420 2.097 10 0 CEAERO CC[NH2+][C@@H]1CCCc2c(OCCC(=O)NC)cccc21 ZINC000088152116 179557796 /nfs/dbraw/zinc/55/77/96/179557796.db2.gz UIQBBVHLLPMGOQ-CQSZACIVSA-N 1 0 276.380 2.188 10 0 CEAERO [NH3+][C@@H]1CCCc2c(OCCC(=O)NC3CC3)cccc21 ZINC000088151229 179557958 /nfs/dbraw/zinc/55/79/58/179557958.db2.gz AOEKSVYDEHSYQD-CQSZACIVSA-N 1 0 274.364 2.070 10 0 CEAERO Cc1ccnc(Cl)c1NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000088189086 179562328 /nfs/dbraw/zinc/56/23/28/179562328.db2.gz ATZOLLLBJPGMAJ-BDAKNGLRSA-N 1 0 253.733 2.109 10 0 CEAERO c1ccc(C[N@@H+]2CCO[C@@H](c3cncnc3)CC2)cc1 ZINC000616662189 348552934 /nfs/dbraw/zinc/55/29/34/348552934.db2.gz CYMSFMQJVGRQFW-MRXNPFEDSA-N 1 0 269.348 2.440 10 0 CEAERO c1nc([C@H]2COCC[N@@H+](Cc3ccccc3)C2)co1 ZINC000616664109 348554692 /nfs/dbraw/zinc/55/46/92/348554692.db2.gz UKFIGXYVLCJNFS-CQSZACIVSA-N 1 0 258.321 2.291 10 0 CEAERO CC(C)[N@@H+]1CCO[C@@H](CCNC(=O)OC(C)(C)C)CC1 ZINC000616666302 348555289 /nfs/dbraw/zinc/55/52/89/348555289.db2.gz NFXXCWXDURGUPE-ZDUSSCGKSA-N 1 0 286.416 2.401 10 0 CEAERO CC(C)[N@@H+]1CCO[C@H](c2cccc(CCO)c2)CC1 ZINC000616687327 348560462 /nfs/dbraw/zinc/56/04/62/348560462.db2.gz UVZCEUFRVXSVHQ-INIZCTEOSA-N 1 0 263.381 2.393 10 0 CEAERO CC(C)C[C@@H](C[NH3+])CC(=O)NCCc1ccc(O)cc1 ZINC000088277913 179574393 /nfs/dbraw/zinc/57/43/93/179574393.db2.gz ZJVVHCHXQDCOAX-CQSZACIVSA-N 1 0 278.396 2.062 10 0 CEAERO [NH3+]CCC1(CS(=O)(=O)c2ccccc2Cl)CC1 ZINC000088272339 179573010 /nfs/dbraw/zinc/57/30/10/179573010.db2.gz DZJCZOONTXJUFC-UHFFFAOYSA-N 1 0 273.785 2.243 10 0 CEAERO C[C@@H]([NH3+])CCc1nc([C@@H]2COc3ccccc3C2)no1 ZINC000087996353 179532376 /nfs/dbraw/zinc/53/23/76/179532376.db2.gz YNRWMFJDBCDXKF-PWSUYJOCSA-N 1 0 273.336 2.068 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1c1nc([C@@H]2CCc3ccccc32)no1 ZINC000087997462 179533799 /nfs/dbraw/zinc/53/37/99/179533799.db2.gz KRZIRWIKHTVWLB-LERXQTSPSA-N 1 0 269.348 2.471 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C(=O)N(C)Cc2ccccc2F)C1 ZINC000088450117 179605956 /nfs/dbraw/zinc/60/59/56/179605956.db2.gz IGYUDPRUFDTIMS-AAEUAGOBSA-N 1 0 264.344 2.030 10 0 CEAERO CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@]1(O)CCC[C@H](C)C1 ZINC000088289972 179575918 /nfs/dbraw/zinc/57/59/18/179575918.db2.gz ANSMHYYWEKQPRS-OFQRWUPVSA-N 1 0 284.444 2.055 10 0 CEAERO C[C@]1(C(=O)N2CCCCc3ccccc32)CCC[NH2+]1 ZINC000088336076 179579491 /nfs/dbraw/zinc/57/94/91/179579491.db2.gz FQVJURLOAINHOD-MRXNPFEDSA-N 1 0 258.365 2.498 10 0 CEAERO COCc1ccccc1C[NH2+][C@H](CO)CC(C)C ZINC000088557042 179624388 /nfs/dbraw/zinc/62/43/88/179624388.db2.gz HACRBUFLNRJLKB-HNNXBMFYSA-N 1 0 251.370 2.330 10 0 CEAERO CC(C)C[NH2+]C[C@H]1CCCN1Cc1ncnn1CC(C)C ZINC000088595288 179632630 /nfs/dbraw/zinc/63/26/30/179632630.db2.gz KKOWZXQYILPDLQ-OAHLLOKOSA-N 1 0 293.459 2.144 10 0 CEAERO CCCn1ncnc1C[C@H]([NH3+])[C@H]1CCc2ccccc2C1 ZINC000088617010 179639963 /nfs/dbraw/zinc/63/99/63/179639963.db2.gz GBVRISGASHMPEQ-HOTGVXAUSA-N 1 0 284.407 2.363 10 0 CEAERO C[NH2+]C[C@@H](Cc1ncnn1CC(C)C)c1ccccc1 ZINC000088621845 179641337 /nfs/dbraw/zinc/64/13/37/179641337.db2.gz FSIBRPQJQJVGKZ-OAHLLOKOSA-N 1 0 272.396 2.480 10 0 CEAERO CC(C)n1ncnc1CN1CC2(CCCCC2)[NH2+]C[C@@H]1C ZINC000088625640 179642979 /nfs/dbraw/zinc/64/29/79/179642979.db2.gz UBBLVCCICKCUFS-AWEZNQCLSA-N 1 0 291.443 2.356 10 0 CEAERO CC(C)[C@H](C)N(C)C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000104196604 185925947 /nfs/dbraw/zinc/92/59/47/185925947.db2.gz IDZXAGGBMSGNIN-ONGXEEELSA-N 1 0 266.307 2.031 10 0 CEAERO C[C@@H]1CCCCC[C@@H]1[NH2+]C1CCS(=O)(=O)CC1 ZINC000088505969 179615635 /nfs/dbraw/zinc/61/56/35/179615635.db2.gz REALWROTKZUATQ-YPMHNXCESA-N 1 0 259.415 2.122 10 0 CEAERO Cc1ccc(NC(=O)[C@H]2C[NH2+]C[C@H]2C)cc1Cl ZINC000104213035 185932728 /nfs/dbraw/zinc/93/27/28/185932728.db2.gz LUUJRSVAMMRFLM-KOLCDFICSA-N 1 0 252.745 2.442 10 0 CEAERO CCc1nc(CC)n([C@@H](c2cccs2)[C@@H](C)[NH3+])n1 ZINC000088740115 179662266 /nfs/dbraw/zinc/66/22/66/179662266.db2.gz PFYGPUBVRAQEEL-NOZJJQNGSA-N 1 0 264.398 2.401 10 0 CEAERO CCc1nc(CC)n(-c2ccc(F)cc2C[NH2+]C)n1 ZINC000088742402 179662941 /nfs/dbraw/zinc/66/29/41/179662941.db2.gz AYHDBTAKNPHXNS-UHFFFAOYSA-N 1 0 262.332 2.251 10 0 CEAERO CCc1ccc(C[NH2+]C)cc1S(=O)(=O)N[C@@H](C)CC ZINC000088978336 179689157 /nfs/dbraw/zinc/68/91/57/179689157.db2.gz IXELTLKFSOBKBL-NSHDSACASA-N 1 0 284.425 2.045 10 0 CEAERO Cc1oncc1-c1nnc(CCC[NH2+]C(C)C)s1 ZINC000088812365 179676134 /nfs/dbraw/zinc/67/61/34/179676134.db2.gz HBCFYVQFDOQMMD-UHFFFAOYSA-N 1 0 266.370 2.432 10 0 CEAERO COCC[NH2+]CCCc1nnc(C(C)(C)C)s1 ZINC000088813378 179676971 /nfs/dbraw/zinc/67/69/71/179676971.db2.gz LAAVKSYTDQARLW-UHFFFAOYSA-N 1 0 257.403 2.004 10 0 CEAERO Cn1c(CC2(C[NH3+])CCCCC2)nc2cnccc21 ZINC000088861132 179685152 /nfs/dbraw/zinc/68/51/52/179685152.db2.gz HUPRYCVMFHENQA-UHFFFAOYSA-N 1 0 258.369 2.420 10 0 CEAERO CC(C)C1([NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000339507796 215218811 /nfs/dbraw/zinc/21/88/11/215218811.db2.gz NDGSNKPIRNHHID-UHFFFAOYSA-N 1 0 296.436 2.215 10 0 CEAERO COc1ccc(C)cc1C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000089106628 179702125 /nfs/dbraw/zinc/70/21/25/179702125.db2.gz ZAVPIWLSLBSPPV-JSGCOSHPSA-N 1 0 276.380 2.251 10 0 CEAERO Cc1oc(C)c(C(=O)N(C)[C@@H]2CCC[C@H]2C[NH3+])c1C ZINC000089110452 179705190 /nfs/dbraw/zinc/70/51/90/179705190.db2.gz QKCWMCROHQLCBF-QWHCGFSZSA-N 1 0 264.369 2.404 10 0 CEAERO CCc1ccc(C(=O)N(C)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089110338 179705369 /nfs/dbraw/zinc/70/53/69/179705369.db2.gz XGVIJHHOVMFXIV-HUUCEWRRSA-N 1 0 260.381 2.448 10 0 CEAERO CCCn1cccc1C(=O)N(C)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089110656 179705499 /nfs/dbraw/zinc/70/54/99/179705499.db2.gz LITVXQFWLJJZTK-QWHCGFSZSA-N 1 0 263.385 2.098 10 0 CEAERO CN(c1cnc2ccccc2n1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089112782 179707701 /nfs/dbraw/zinc/70/77/01/179707701.db2.gz CTQDZXKDEXNOFZ-BXUZGUMPSA-N 1 0 256.353 2.193 10 0 CEAERO CN(C)C(=O)c1cccc(N[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000089143259 179721689 /nfs/dbraw/zinc/72/16/89/179721689.db2.gz JTFQZUFUURAPCC-HIFRSBDPSA-N 1 0 275.396 2.318 10 0 CEAERO CCn1nc(C[C@](C)([NH3+])CCOC)c2ccccc21 ZINC000089176656 179742062 /nfs/dbraw/zinc/74/20/62/179742062.db2.gz ZGGUGNGMHMVIDE-OAHLLOKOSA-N 1 0 261.369 2.353 10 0 CEAERO CCCOC[C@H](Cc1nn(C)c2ccccc12)[NH2+]C ZINC000089177677 179742996 /nfs/dbraw/zinc/74/29/96/179742996.db2.gz JOJPGJPMQCSLCE-LBPRGKRZSA-N 1 0 261.369 2.130 10 0 CEAERO CCn1nc(C)cc1C[NH2+]C[C@@]1(O)CCC[C@@H](C)C1 ZINC000089184420 179746236 /nfs/dbraw/zinc/74/62/36/179746236.db2.gz TXJXNBZYQCUOHT-IUODEOHRSA-N 1 0 265.401 2.242 10 0 CEAERO CCc1cc(C[C@@H]2Cc3ccccc3[C@H]2[NH3+])n(C)n1 ZINC000089187182 179747351 /nfs/dbraw/zinc/74/73/51/179747351.db2.gz WVHMKKCKIOIKHU-LRDDRELGSA-N 1 0 255.365 2.397 10 0 CEAERO Cc1ccc(C(=O)N[C@@]2(C[NH3+])CCC[C@@H](C)C2)cn1 ZINC000104305088 185960257 /nfs/dbraw/zinc/96/02/57/185960257.db2.gz MRZFRBRTRQBMQN-ABAIWWIYSA-N 1 0 261.369 2.027 10 0 CEAERO Cc1cccc(CCNC(=O)[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000089461510 539719176 /nfs/dbraw/zinc/71/91/76/539719176.db2.gz FQOCTZWJMRUAKT-LSDHHAIUSA-N 1 0 260.381 2.029 10 0 CEAERO Cc1cc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])ccc1F ZINC000089461771 539719219 /nfs/dbraw/zinc/71/92/19/539719219.db2.gz ZILAFXHGRAIUGL-PWSUYJOCSA-N 1 0 250.317 2.448 10 0 CEAERO Cc1cccc(CCNC(=O)[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000089461513 539719226 /nfs/dbraw/zinc/71/92/26/539719226.db2.gz FQOCTZWJMRUAKT-GJZGRUSLSA-N 1 0 260.381 2.029 10 0 CEAERO COc1cccc(Cl)c1CN[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400712775 233181105 /nfs/dbraw/zinc/18/11/05/233181105.db2.gz DVSANVXTLQVXSD-GHMZBOCLSA-N 1 0 268.788 2.436 10 0 CEAERO CCC[NH2+][C@H](Cc1c(Cl)c(C)nn1C)c1cnccn1 ZINC000089250886 179760686 /nfs/dbraw/zinc/76/06/86/179760686.db2.gz ZGVADIXQFFXFJB-LLVKDONJSA-N 1 0 293.802 2.455 10 0 CEAERO C[NH2+][C@@H](Cc1cc(C)nn1C)c1cccc(OC)c1 ZINC000089192485 179749191 /nfs/dbraw/zinc/74/91/91/179749191.db2.gz LWOAEBCEZGOQDC-HNNXBMFYSA-N 1 0 259.353 2.240 10 0 CEAERO COC1(CO)CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000401755779 233185488 /nfs/dbraw/zinc/18/54/88/233185488.db2.gz QXSFVNVYSIOURS-LBPRGKRZSA-N 1 0 277.355 2.285 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000089453117 539716669 /nfs/dbraw/zinc/71/66/69/539716669.db2.gz RATBLJKSIAALJW-DRHLYTSKSA-N 1 0 276.424 2.302 10 0 CEAERO CC[C@@H]([NH3+])c1c(C)nn(Cc2cc(C)nn2CC)c1C ZINC000089206569 179754098 /nfs/dbraw/zinc/75/40/98/179754098.db2.gz REMNFGGHSWPLEB-CQSZACIVSA-N 1 0 275.400 2.483 10 0 CEAERO CCC1CCC(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089460458 539718517 /nfs/dbraw/zinc/71/85/17/539718517.db2.gz QCBDPVALOALBIJ-GNRIBBGQSA-N 1 0 252.402 2.446 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1nc2c(s1)CCCC2 ZINC000089460620 539718901 /nfs/dbraw/zinc/71/89/01/539718901.db2.gz KXUWZGQNMLUQEV-ZJUUUORDSA-N 1 0 279.409 2.335 10 0 CEAERO CCc1nc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])sc1C ZINC000089460469 539718949 /nfs/dbraw/zinc/71/89/49/539718949.db2.gz MRLCHRHUCCNJJS-VHSXEESVSA-N 1 0 267.398 2.327 10 0 CEAERO CC1(C)CCCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089482334 539719894 /nfs/dbraw/zinc/71/98/94/539719894.db2.gz ONDANTVYKRWGBS-QWHCGFSZSA-N 1 0 252.402 2.400 10 0 CEAERO CC[NH2+][C@H](Cc1c(Cl)c(CC)nn1C)[C@H]1CCOC1 ZINC000089329096 179769954 /nfs/dbraw/zinc/76/99/54/179769954.db2.gz JAQUXEHEKOABEH-CMPLNLGQSA-N 1 0 285.819 2.193 10 0 CEAERO CCc1nn(C)c(C[C@]2(O)CCC[N@H+](C)CC2)c1Cl ZINC000089324619 179770170 /nfs/dbraw/zinc/77/01/70/179770170.db2.gz CVRYCGSDNFQBKU-AWEZNQCLSA-N 1 0 285.819 2.025 10 0 CEAERO CCn1nc(C)c(Cl)c1C[C@H]([NH2+]C)[C@@H]1CCCO1 ZINC000089297843 179766515 /nfs/dbraw/zinc/76/65/15/179766515.db2.gz NSOFGVRZAYGTGA-JQWIXIFHSA-N 1 0 271.792 2.174 10 0 CEAERO COc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C[NH3+])cc1O ZINC000089389925 179778642 /nfs/dbraw/zinc/77/86/42/179778642.db2.gz NKHWKUPMDFGUHI-CMPLNLGQSA-N 1 0 278.352 2.104 10 0 CEAERO CC(C)[NH+]1CCC([NH2+]C[C@@H]2CCCC[C@H]2C(=O)[O-])CC1 ZINC000089445936 179791359 /nfs/dbraw/zinc/79/13/59/179791359.db2.gz DQPIPRFICAAPMF-DZGCQCFKSA-N 1 0 282.428 2.340 10 0 CEAERO COc1cc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])cc(OC)c1 ZINC000089449109 179791934 /nfs/dbraw/zinc/79/19/34/179791934.db2.gz IBVLXSQUKDXNDJ-YGRLFVJLSA-N 1 0 278.352 2.017 10 0 CEAERO Cc1cccc(CN(C)C(=O)[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000089456312 179794289 /nfs/dbraw/zinc/79/42/89/179794289.db2.gz AMXHAXOPWYZLBG-GJZGRUSLSA-N 1 0 260.381 2.328 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@H]1c1nc(-c2ccccn2)no1 ZINC000089383357 179776105 /nfs/dbraw/zinc/77/61/05/179776105.db2.gz QHWBICJSKVZABS-GHMZBOCLSA-N 1 0 258.325 2.364 10 0 CEAERO NC(=O)c1ccc(OC[C@@H]2CCC[C@@H]2C[NH3+])cc1Cl ZINC000089538325 179813491 /nfs/dbraw/zinc/81/34/91/179813491.db2.gz LHHYDUAMXTVSHX-ZJUUUORDSA-N 1 0 282.771 2.193 10 0 CEAERO OC[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(F)c1 ZINC000089488520 179802404 /nfs/dbraw/zinc/80/24/04/179802404.db2.gz BBDDKSWFVHTGQJ-VXGBXAGGSA-N 1 0 255.308 2.463 10 0 CEAERO OC[C@H]1CCC[C@H]1C[NH2+]CC1(O)CCCCCC1 ZINC000089498959 179804810 /nfs/dbraw/zinc/80/48/10/179804810.db2.gz JHZGYEYBSFXAPE-UONOGXRCSA-N 1 0 255.402 2.070 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1CNC(=O)C1(c2ccccc2)CC1 ZINC000089500383 179805014 /nfs/dbraw/zinc/80/50/14/179805014.db2.gz JLRDETDJKUNFLQ-ZIAGYGMSSA-N 1 0 272.392 2.209 10 0 CEAERO CC(C)c1nsc(NC[C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000089501222 179805442 /nfs/dbraw/zinc/80/54/42/179805442.db2.gz QFYLKFQKKLABCO-UWVGGRQHSA-N 1 0 254.403 2.448 10 0 CEAERO CC(C)(C)n1c2ccccc2nc1-c1cn(CC[NH3+])nn1 ZINC000089695927 179847685 /nfs/dbraw/zinc/84/76/85/179847685.db2.gz OBRDRACSCHBHLJ-UHFFFAOYSA-N 1 0 284.367 2.009 10 0 CEAERO O=C(C[C@@H]1CC[NH2+]C1)OCc1ccccc1Cl ZINC000089712591 179852216 /nfs/dbraw/zinc/85/22/16/179852216.db2.gz JLSPJVIPVXDZIF-JTQLQIEISA-N 1 0 253.729 2.383 10 0 CEAERO CCn1nc(C)cc1C(=O)N[C@H](C)c1ccc(C[NH3+])cc1 ZINC000090122425 179917394 /nfs/dbraw/zinc/91/73/94/179917394.db2.gz ZGUCLFPSBZMNKQ-GFCCVEGCSA-N 1 0 286.379 2.161 10 0 CEAERO CCN(C1C[NH2+]C1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000090290901 179950691 /nfs/dbraw/zinc/95/06/91/179950691.db2.gz AFZBPQXSCCZYJV-UWVGGRQHSA-N 1 0 250.308 2.401 10 0 CEAERO CC(C)(C)[NH2+]Cc1cncn1CCOCC(F)(F)F ZINC000090242634 179939107 /nfs/dbraw/zinc/93/91/07/179939107.db2.gz WOHYBYPCTURUDU-UHFFFAOYSA-N 1 0 279.306 2.350 10 0 CEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C(=O)CCc1ccccc1 ZINC000090331244 179962617 /nfs/dbraw/zinc/96/26/17/179962617.db2.gz SJHVUGMDPQAAPN-OWCLPIDISA-N 1 0 272.392 2.076 10 0 CEAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1c1nnc(C)c2ccccc21 ZINC000090333907 179963868 /nfs/dbraw/zinc/96/38/68/179963868.db2.gz ABRTXGLWOLLUDS-DAXOMENPSA-N 1 0 282.391 2.372 10 0 CEAERO Cc1ccsc1C(=O)N1C[C@H]2C[NH2+]C[C@@H]2C1(C)C ZINC000090335756 179965075 /nfs/dbraw/zinc/96/50/75/179965075.db2.gz VCJBIOFIWWLLJC-MNOVXSKESA-N 1 0 264.394 2.127 10 0 CEAERO O=[S@]1CCC[NH2+][C@@H](C23CC4CC(CC(C4)C2)C3)C1 ZINC000090344315 179969594 /nfs/dbraw/zinc/96/95/94/179969594.db2.gz LPGDHFXSYBZSGD-PTDZQCTISA-N 1 0 267.438 2.313 10 0 CEAERO CC(=O)c1cccc(NC(=O)CSCC[C@@H](C)[NH3+])c1 ZINC000090346064 179970957 /nfs/dbraw/zinc/97/09/57/179970957.db2.gz XFYOXYCLPQVAQF-SNVBAGLBSA-N 1 0 280.393 2.298 10 0 CEAERO C[C@H](C[NH3+])CSCc1nc(N)c2ccccc2n1 ZINC000090350997 179972999 /nfs/dbraw/zinc/97/29/99/179972999.db2.gz NETHLKKVVXPFCQ-SECBINFHSA-N 1 0 262.382 2.040 10 0 CEAERO C[C@@H](CC[NH3+])SCC(=O)Nc1ccc(F)cc1F ZINC000090354267 179973277 /nfs/dbraw/zinc/97/32/77/179973277.db2.gz BKCYYPUAOOGXNG-QMMMGPOBSA-N 1 0 274.336 2.374 10 0 CEAERO CCOC(=O)c1ccoc1CS[C@@H](C)CC[NH3+] ZINC000090354658 179973603 /nfs/dbraw/zinc/97/36/03/179973603.db2.gz QMIOSBIJCCFZHX-VIFPVBQESA-N 1 0 257.355 2.427 10 0 CEAERO CC[C@@H]([NH3+])CSCC(=O)Nc1cc(C(C)(C)C)no1 ZINC000090356445 179975302 /nfs/dbraw/zinc/97/53/02/179975302.db2.gz ANHLIMAPLGCOOV-SECBINFHSA-N 1 0 285.413 2.381 10 0 CEAERO CC[C@H]([NH3+])CSCC(=O)Nc1cc(C)ccc1OC ZINC000090357002 179975886 /nfs/dbraw/zinc/97/58/86/179975886.db2.gz IKJKBPJEKBNNSE-NSHDSACASA-N 1 0 282.409 2.413 10 0 CEAERO CC(C)(C)c1ccc(C[NH2+][C@H]2CCOC[C@@H]2O)cc1 ZINC000623765959 350106482 /nfs/dbraw/zinc/10/64/82/350106482.db2.gz ZUKLCQDCLPBHIT-GJZGRUSLSA-N 1 0 263.381 2.224 10 0 CEAERO CC[NH2+][C@@H]1COC[C@@H]1C(=O)N1CCC[C@@H]1c1ccsc1 ZINC000090490258 179992444 /nfs/dbraw/zinc/99/24/44/179992444.db2.gz NTURUISTOLDZEC-BFHYXJOUSA-N 1 0 294.420 2.036 10 0 CEAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1Cl ZINC000623767355 350107038 /nfs/dbraw/zinc/10/70/38/350107038.db2.gz UNTSTEICHBXYNX-RYUDHWBXSA-N 1 0 276.163 2.233 10 0 CEAERO CC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1c(C)cccc1Cl ZINC000090537568 179999583 /nfs/dbraw/zinc/99/95/83/179999583.db2.gz GDJZWWWDXWUQKM-JQWIXIFHSA-N 1 0 282.771 2.211 10 0 CEAERO O=C(CSCC1C[NH2+]C1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000090712853 180028473 /nfs/dbraw/zinc/02/84/73/180028473.db2.gz HRBVBDAVNFMQEK-KGLIPLIRSA-N 1 0 282.453 2.120 10 0 CEAERO CCCCC[C@H](C)NC(=O)[C@H]1COC[C@@H]1[NH2+]CCC ZINC000090540498 180000560 /nfs/dbraw/zinc/00/05/60/180000560.db2.gz PZNJWGLRFKQWLD-IHRRRGAJSA-N 1 0 270.417 2.086 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)Nc1cccc(F)c1C ZINC000090544081 180000688 /nfs/dbraw/zinc/00/06/88/180000688.db2.gz HXCIFSJUIHYKKE-RISCZKNCSA-N 1 0 280.343 2.087 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1cccc(F)c1C ZINC000090544079 180000690 /nfs/dbraw/zinc/00/06/90/180000690.db2.gz HXCIFSJUIHYKKE-BXUZGUMPSA-N 1 0 280.343 2.087 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc2[nH]ccc2c1 ZINC000090543278 180000711 /nfs/dbraw/zinc/00/07/11/180000711.db2.gz BLOJPHHLWCGOAX-DZGCQCFKSA-N 1 0 287.363 2.121 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N[C@@H](C)c1ccc(C)s1 ZINC000090543809 180000748 /nfs/dbraw/zinc/00/07/48/180000748.db2.gz QPAGMNPDMZYQKG-RWMBFGLXSA-N 1 0 296.436 2.248 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)NC1CCC(CCC)CC1 ZINC000090543897 180000958 /nfs/dbraw/zinc/00/09/58/180000958.db2.gz WYEJTUGYOKTVPP-SSHXOBKSSA-N 1 0 296.455 2.476 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1CN(CC(F)(F)F)C1CC1 ZINC000090566607 180006470 /nfs/dbraw/zinc/00/64/70/180006470.db2.gz SVJRWAVBXGYITQ-JQWIXIFHSA-N 1 0 280.334 2.028 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1CN(CC(F)(F)F)C(C)C ZINC000090566615 180006557 /nfs/dbraw/zinc/00/65/57/180006557.db2.gz YEYUNAWKVPJJAA-RYUDHWBXSA-N 1 0 282.350 2.274 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1CN[C@@H](CC)c1nccs1 ZINC000090567119 180006731 /nfs/dbraw/zinc/00/67/31/180006731.db2.gz WUSCXKCYSVVDHE-RWMBFGLXSA-N 1 0 283.441 2.198 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1CN(C)c1cccc(OC)c1 ZINC000090566693 180006937 /nfs/dbraw/zinc/00/69/37/180006937.db2.gz FVWIDTUSEXKNRS-CJNGLKHVSA-N 1 0 278.396 2.146 10 0 CEAERO C[C@]1(C(=O)Nc2cccc(C(F)(F)F)c2)COC[C@@H]1[NH3+] ZINC000090580306 180008181 /nfs/dbraw/zinc/00/81/81/180008181.db2.gz WBHOXGSNOZTTIZ-JQWIXIFHSA-N 1 0 288.269 2.008 10 0 CEAERO C[C@]1(c2nc3cc(Cl)ccc3o2)COC[C@@H]1[NH3+] ZINC000090574329 180008456 /nfs/dbraw/zinc/00/84/56/180008456.db2.gz GCQIFCLUSKVTLQ-JQWIXIFHSA-N 1 0 252.701 2.096 10 0 CEAERO C[C@]1(C(=O)Nc2ccc(C(F)(F)F)cc2)COC[C@@H]1[NH3+] ZINC000090580563 180008591 /nfs/dbraw/zinc/00/85/91/180008591.db2.gz IGHGYOCLQOOOMQ-JQWIXIFHSA-N 1 0 288.269 2.008 10 0 CEAERO CCC(CC)C[N@H+](CC)[C@@H](CN)CC(OC)OC ZINC000090625163 180015791 /nfs/dbraw/zinc/01/57/91/180015791.db2.gz NLQPKWHTNXLFPQ-CYBMUJFWSA-N 1 0 260.422 2.081 10 0 CEAERO C[C@H](OC[C@@H]([NH3+])c1ccc2c(c1)OCCO2)C(F)(F)F ZINC000090672430 180020899 /nfs/dbraw/zinc/02/08/99/180020899.db2.gz PPDUFXGVSMPBBQ-WCBMZHEXSA-N 1 0 291.269 2.425 10 0 CEAERO C[C@H](OCC(=O)Nc1cccc(C[NH3+])c1)C(F)(F)F ZINC000090671966 180021085 /nfs/dbraw/zinc/02/10/85/180021085.db2.gz AVRUBKOZSVYAAC-QMMMGPOBSA-N 1 0 276.258 2.051 10 0 CEAERO C[NH2+][C@H]1C(=O)Nc2cc(O[C@H](C)C(F)(F)F)ccc21 ZINC000090673321 180021954 /nfs/dbraw/zinc/02/19/54/180021954.db2.gz VQTXCWWRLRHIEY-LHLIQPBNSA-N 1 0 274.242 2.229 10 0 CEAERO COc1ccc([C@H]([NH3+])c2cnccc2C)cc1OC ZINC000090696461 180027212 /nfs/dbraw/zinc/02/72/12/180027212.db2.gz ZWPMABUZHSUSDS-HNNXBMFYSA-N 1 0 258.321 2.455 10 0 CEAERO C/C=C/C(=O)N1CCCSC[C@H]1C[NH+]1CCCCC1 ZINC000090701293 180028023 /nfs/dbraw/zinc/02/80/23/180028023.db2.gz BOERPMNQJLDSHV-VXTUICGHSA-N 1 0 282.453 2.383 10 0 CEAERO C[NH+](C)C[C@@H]1CSCCCN1C(=O)CC1CCCC1 ZINC000090699782 180028076 /nfs/dbraw/zinc/02/80/76/180028076.db2.gz FWUHAGXZMJJBAB-CQSZACIVSA-N 1 0 284.469 2.462 10 0 CEAERO CC(=O)Nc1ccccc1C[NH2+]Cc1ccncc1 ZINC000090736006 180033442 /nfs/dbraw/zinc/03/34/42/180033442.db2.gz AQMIGVLAVYOJIJ-UHFFFAOYSA-N 1 0 255.321 2.330 10 0 CEAERO COC(=O)c1nc(C)cc(NCC[NH+](C(C)C)C(C)C)n1 ZINC000090736971 180034472 /nfs/dbraw/zinc/03/44/72/180034472.db2.gz PLYAFCKSYDEBHM-UHFFFAOYSA-N 1 0 294.399 2.102 10 0 CEAERO CCOc1cc(N[C@@]2(C[NH3+])CCC[C@@H](C)C2)ncn1 ZINC000090784811 180040099 /nfs/dbraw/zinc/04/00/99/180040099.db2.gz AJXVTDATSRKSMG-RISCZKNCSA-N 1 0 264.373 2.195 10 0 CEAERO CCCOc1cc(N[C@@H]2c3ccccc3C[C@H]2[NH3+])ncn1 ZINC000090785710 180040262 /nfs/dbraw/zinc/04/02/62/180040262.db2.gz OWUBHWWIVFVPGE-CZUORRHYSA-N 1 0 284.363 2.302 10 0 CEAERO COc1cc(N(CCC[NH3+])C2CCCCC2)nc(C)n1 ZINC000090786931 180040560 /nfs/dbraw/zinc/04/05/60/180040560.db2.gz LVSQKLNXDFMQLC-UHFFFAOYSA-N 1 0 278.400 2.282 10 0 CEAERO FC(F)(F)COCC[NH2+]CCOC1CCCC1 ZINC000104445166 186004971 /nfs/dbraw/zinc/00/49/71/186004971.db2.gz WEMUJMSZUHWOIX-UHFFFAOYSA-N 1 0 255.280 2.114 10 0 CEAERO CCOc1cc(N(C)[C@H]2CCCC[C@@H]2C[NH3+])nc(C)n1 ZINC000090787969 180041199 /nfs/dbraw/zinc/04/11/99/180041199.db2.gz ZOJATYILQASOIO-OLZOCXBDSA-N 1 0 278.400 2.137 10 0 CEAERO CCOc1cc(N(CCC[NH3+])C2CCCC2)nc(C)n1 ZINC000090787744 180041544 /nfs/dbraw/zinc/04/15/44/180041544.db2.gz RJBRVKHPFYLNOG-UHFFFAOYSA-N 1 0 278.400 2.282 10 0 CEAERO CCOc1ncnc(NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1C ZINC000090790860 180041908 /nfs/dbraw/zinc/04/19/08/180041908.db2.gz NQKFWNIJGRKWFI-AGUYFDCRSA-N 1 0 290.411 2.468 10 0 CEAERO CCOc1ncnc(NC2(C[NH3+])CCCCC2)c1C ZINC000090790150 180042053 /nfs/dbraw/zinc/04/20/53/180042053.db2.gz WAEIFGLMHDTAJM-UHFFFAOYSA-N 1 0 264.373 2.257 10 0 CEAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H](C)[S@](C)=O ZINC000090841874 180043362 /nfs/dbraw/zinc/04/33/62/180043362.db2.gz LDNAUDFVVFAQLJ-VZMUKZCBSA-N 1 0 281.421 2.429 10 0 CEAERO COc1ccc([C@H](C)[NH2+]C[C@H](C)[S@](C)=O)c(OC)c1 ZINC000090841831 180043563 /nfs/dbraw/zinc/04/35/63/180043563.db2.gz OOVIDSYFRNTDSL-ZHYXMNDGSA-N 1 0 285.409 2.121 10 0 CEAERO COc1ccc(CC[C@H](C)[NH2+]C[C@H](C)[S@](C)=O)cc1 ZINC000090842201 180044232 /nfs/dbraw/zinc/04/42/32/180044232.db2.gz QXIPWUIXIKQHEE-WTOJCKNJSA-N 1 0 283.437 2.373 10 0 CEAERO COc1cc(OC)cc(O[C@@H]2C[C@@H]([NH3+])C2(C)C)c1 ZINC000090861684 180047038 /nfs/dbraw/zinc/04/70/38/180047038.db2.gz BVJPEOXELNVGBW-CHWSQXEVSA-N 1 0 251.326 2.208 10 0 CEAERO CC[C@]1(C)[C@H]([NH2+]C)C[C@@H]1Oc1ccc(S(C)(=O)=O)cc1 ZINC000090862012 180047074 /nfs/dbraw/zinc/04/70/74/180047074.db2.gz AZWBGIADGPERDH-QLFBSQMISA-N 1 0 297.420 2.246 10 0 CEAERO Cc1nn(C)c(C)c1O[C@H]1C[C@H]([NH3+])C12CCCCC2 ZINC000090865718 180047931 /nfs/dbraw/zinc/04/79/31/180047931.db2.gz HKWNMONCYOACNL-STQMWFEESA-N 1 0 263.385 2.466 10 0 CEAERO C[C@H]([NH3+])[C@@H]1CCCCN1C[C@@H]1Cc2ccccc2O1 ZINC000090873643 180049912 /nfs/dbraw/zinc/04/99/12/180049912.db2.gz ZMKMEJXDGOKTBA-QEJZJMRPSA-N 1 0 260.381 2.192 10 0 CEAERO CN(C)C(=O)CSc1cccc(C[NH2+]C2CC2)c1 ZINC000090872215 180050057 /nfs/dbraw/zinc/05/00/57/180050057.db2.gz GISYINPCJUTSFV-UHFFFAOYSA-N 1 0 264.394 2.119 10 0 CEAERO CCOC(=O)CSc1cccc(C[NH2+]CCOC)c1 ZINC000090873160 180050228 /nfs/dbraw/zinc/05/02/28/180050228.db2.gz DICSQFNWPQYGPQ-UHFFFAOYSA-N 1 0 283.393 2.078 10 0 CEAERO Cc1ccc(C[NH2+]C[C@H]2Cc3ccccc3O2)cn1 ZINC000090874607 180050557 /nfs/dbraw/zinc/05/05/57/180050557.db2.gz VJIJUKYTYHSAHS-OAHLLOKOSA-N 1 0 254.333 2.483 10 0 CEAERO CCC1(CC)C[NH2+]CCN1C[C@H]1Cc2ccccc2O1 ZINC000090878259 180051742 /nfs/dbraw/zinc/05/17/42/180051742.db2.gz LCLXVMVHMVANNG-OAHLLOKOSA-N 1 0 274.408 2.454 10 0 CEAERO Fc1ccc2c(c1)C[C@@H](C[NH2+]Cc1ccccn1)O2 ZINC000090891999 180053664 /nfs/dbraw/zinc/05/36/64/180053664.db2.gz ZADUYRAWUJZMBZ-AWEZNQCLSA-N 1 0 258.296 2.314 10 0 CEAERO OCC[C@H]1CCCC[N@@H+]1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090894760 180055748 /nfs/dbraw/zinc/05/57/48/180055748.db2.gz CRJMMQNARWNLRN-CABCVRRESA-N 1 0 279.355 2.366 10 0 CEAERO C[NH2+]Cc1cnn(C[C@@H]2Cc3cc(F)ccc3O2)c1C ZINC000090895589 180055912 /nfs/dbraw/zinc/05/59/12/180055912.db2.gz XQTLOLJQHXHYET-AWEZNQCLSA-N 1 0 275.327 2.054 10 0 CEAERO CCCC[N@H+](CCO)C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090894765 180056329 /nfs/dbraw/zinc/05/63/29/180056329.db2.gz JQBRBUDHNKDAFD-AWEZNQCLSA-N 1 0 267.344 2.224 10 0 CEAERO CCOC(=O)CCC[NH2+]C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090898156 180056686 /nfs/dbraw/zinc/05/66/86/180056686.db2.gz YKROBNYXCDDYIO-AWEZNQCLSA-N 1 0 277.364 2.231 10 0 CEAERO CC(C)C[C@@H]1C[NH2+]CCN1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090896145 180057014 /nfs/dbraw/zinc/05/70/14/180057014.db2.gz PZRRKHLJMRZBEC-CVEARBPZSA-N 1 0 292.398 2.449 10 0 CEAERO CN(C[C@H]1Cc2cc(Cl)ccc2O1)[C@@H]1CCC[NH2+]C1 ZINC000090900154 180059076 /nfs/dbraw/zinc/05/90/76/180059076.db2.gz XNAZLQULNXJWAI-ZIAGYGMSSA-N 1 0 280.799 2.327 10 0 CEAERO CCC[C@H]1C[NH2+]CCN1C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090902448 180059938 /nfs/dbraw/zinc/05/99/38/180059938.db2.gz IXAUCNMOUQIGBJ-HOTGVXAUSA-N 1 0 274.408 2.372 10 0 CEAERO COC[C@H](C)[NH2+]C[C@H]1Cc2cc(Cl)ccc2O1 ZINC000090903101 180060390 /nfs/dbraw/zinc/06/03/90/180060390.db2.gz VFORAHGLLWKKEZ-JOYOIKCWSA-N 1 0 255.745 2.268 10 0 CEAERO CCOc1ccc([C@@H](CN2C[C@H]3CC[C@@H](C2)O3)[NH2+]C)cc1 ZINC000090906143 180060846 /nfs/dbraw/zinc/06/08/46/180060846.db2.gz WCLDBWAKNCDKIW-IXDOHACOSA-N 1 0 290.407 2.209 10 0 CEAERO [NH3+][C@H](CCN1C[C@H]2CC[C@@H](C1)O2)c1cccc(F)c1 ZINC000090907481 180061792 /nfs/dbraw/zinc/06/17/92/180061792.db2.gz FGHFJJYMLYGNDM-QLFBSQMISA-N 1 0 264.344 2.079 10 0 CEAERO CC(C)[C@@H](C[NH2+]C(C)(C)C)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090907920 180062204 /nfs/dbraw/zinc/06/22/04/180062204.db2.gz FWDQIMCQTMIZOW-HZSPNIEDSA-N 1 0 254.418 2.262 10 0 CEAERO CC[NH2+][C@@H]1CCCc2sc(N3C[C@H]4CC[C@@H](C3)O4)nc21 ZINC000090908123 180062296 /nfs/dbraw/zinc/06/22/96/180062296.db2.gz DOBFXGMMGDNTDC-GRYCIOLGSA-N 1 0 293.436 2.498 10 0 CEAERO Cn1c2cc(F)ccc2nc1-c1csc(CC[NH3+])n1 ZINC000090934754 180067673 /nfs/dbraw/zinc/06/76/73/180067673.db2.gz LQSAJFXQQKAELQ-UHFFFAOYSA-N 1 0 276.340 2.337 10 0 CEAERO Nc1ccsc1C[NH2+]CCCCn1ccnc1 ZINC000090960537 180075401 /nfs/dbraw/zinc/07/54/01/180075401.db2.gz GCCKJOGNXXHLKX-UHFFFAOYSA-N 1 0 250.371 2.097 10 0 CEAERO Nc1ccsc1C[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000090960329 180075752 /nfs/dbraw/zinc/07/57/52/180075752.db2.gz BZQKAXNCGSNJMI-NSHDSACASA-N 1 0 260.362 2.424 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000090960824 180076271 /nfs/dbraw/zinc/07/62/71/180076271.db2.gz JKQJGQATKDGHGJ-AAEUAGOBSA-N 1 0 282.409 2.347 10 0 CEAERO Nc1ccccc1C[NH2+]CCc1ccc2c(c1)OCCO2 ZINC000090961041 180076352 /nfs/dbraw/zinc/07/63/52/180076352.db2.gz LLQZJGURKBMTEK-UHFFFAOYSA-N 1 0 284.359 2.372 10 0 CEAERO [NH3+]CCN(C(=O)[C@@H]1Cc2ccccc21)C1CCCC1 ZINC000090982688 180079413 /nfs/dbraw/zinc/07/94/13/180079413.db2.gz GLSDTYXWLWFYHA-OAHLLOKOSA-N 1 0 258.365 2.056 10 0 CEAERO [NH3+]Cc1ccc(CNC(=O)[C@H]2Cc3ccccc32)c(F)c1 ZINC000090982675 180079770 /nfs/dbraw/zinc/07/97/70/180079770.db2.gz VGOYCKRTZDFTCD-HNNXBMFYSA-N 1 0 284.334 2.241 10 0 CEAERO [NH3+]Cc1ccccc1CNC(=O)[C@H]1Cc2ccccc21 ZINC000090985437 180080709 /nfs/dbraw/zinc/08/07/09/180080709.db2.gz IMSRUXYNRILPNF-INIZCTEOSA-N 1 0 266.344 2.101 10 0 CEAERO CCOc1ccccc1OCCn1ccc(C[NH3+])c1 ZINC000090995259 180082687 /nfs/dbraw/zinc/08/26/87/180082687.db2.gz LCMLUKRBMMZUCD-UHFFFAOYSA-N 1 0 260.337 2.425 10 0 CEAERO CCCc1nc(Cn2cc(C[NH3+])c3ccccc32)no1 ZINC000090995025 180082974 /nfs/dbraw/zinc/08/29/74/180082974.db2.gz RPRHHAWUAZJTQJ-UHFFFAOYSA-N 1 0 270.336 2.484 10 0 CEAERO CC(C)[NH2+]Cc1cccn1Cc1ncnn1C(C)C ZINC000091001072 180083127 /nfs/dbraw/zinc/08/31/27/180083127.db2.gz HQBQWZNCNDCICJ-UHFFFAOYSA-N 1 0 261.373 2.207 10 0 CEAERO CC[NH2+]Cc1cccn1Cc1nccn1C(F)F ZINC000090996049 180083387 /nfs/dbraw/zinc/08/33/87/180083387.db2.gz GRHHUSGPFWKCLP-UHFFFAOYSA-N 1 0 254.284 2.238 10 0 CEAERO Cc1nn(CCCCO)c(C)c1C[NH2+]CC(C)C ZINC000091002314 180083727 /nfs/dbraw/zinc/08/37/27/180083727.db2.gz QMOBNMSAKYDBEW-UHFFFAOYSA-N 1 0 253.390 2.018 10 0 CEAERO CC(C)Cn1ncnc1Cn1ccc(C[NH2+]C2CC2)c1 ZINC000091003955 180084250 /nfs/dbraw/zinc/08/42/50/180084250.db2.gz MZYOJCNVYQRPSN-UHFFFAOYSA-N 1 0 273.384 2.036 10 0 CEAERO [NH3+]CCc1ccn(C[C@@H]2Cc3cc(F)ccc3O2)c1 ZINC000091004854 180084305 /nfs/dbraw/zinc/08/43/05/180084305.db2.gz JULHNRXFCUIRTR-AWEZNQCLSA-N 1 0 260.312 2.132 10 0 CEAERO CC[C@H]([NH3+])Cc1cccn1CCOC(F)(F)F ZINC000091005733 180084685 /nfs/dbraw/zinc/08/46/85/180084685.db2.gz ACFWOJRNRYTAOD-VIFPVBQESA-N 1 0 250.264 2.304 10 0 CEAERO CCc1cc(Cn2ccc(C[C@@H]([NH3+])CC)c2)n(C)n1 ZINC000091006362 180084719 /nfs/dbraw/zinc/08/47/19/180084719.db2.gz SSGWHZIPQHFFCZ-ZDUSSCGKSA-N 1 0 260.385 2.112 10 0 CEAERO C[C@@H]([NH3+])Cc1cn(Cc2ncccn2)c2ccccc12 ZINC000091005054 180084736 /nfs/dbraw/zinc/08/47/36/180084736.db2.gz UZZYGFGRHJRMAI-GFCCVEGCSA-N 1 0 266.348 2.369 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccn(Cc2cn3ccccc3n2)c1 ZINC000091006174 180084741 /nfs/dbraw/zinc/08/47/41/180084741.db2.gz OCCSXCMONQYINY-CQSZACIVSA-N 1 0 268.364 2.464 10 0 CEAERO CC(C)OCCn1cc(C[C@@H](C)[NH3+])c2cccnc21 ZINC000091021835 180089000 /nfs/dbraw/zinc/08/90/00/180089000.db2.gz CWHRQRVMGYDHNK-GFCCVEGCSA-N 1 0 261.369 2.351 10 0 CEAERO COc1ccc2[nH]c(-c3csc(CC[NH3+])n3)nc2c1 ZINC000090934784 180067693 /nfs/dbraw/zinc/06/76/93/180067693.db2.gz IELYMZVOLFJACI-UHFFFAOYSA-N 1 0 274.349 2.196 10 0 CEAERO [NH3+]CCc1nc(-c2nc(-c3ccsc3)no2)cs1 ZINC000090938718 180068215 /nfs/dbraw/zinc/06/82/15/180068215.db2.gz LWWPLDVPRLDFEL-UHFFFAOYSA-N 1 0 278.362 2.423 10 0 CEAERO CCO[C@H](C)c1noc(-c2csc([C@@H](C)[NH3+])n2)n1 ZINC000090939116 180068420 /nfs/dbraw/zinc/06/84/20/180068420.db2.gz JMFYWQCJERSUMZ-RNFRBKRXSA-N 1 0 268.342 2.310 10 0 CEAERO Cc1ccc2c(c1)nc(C[C@@H]1CSCC[NH2+]1)n2C ZINC000091128500 180100131 /nfs/dbraw/zinc/10/01/31/180100131.db2.gz MDJGCAXPRULAIP-LLVKDONJSA-N 1 0 261.394 2.129 10 0 CEAERO C[N@H+]([C@H](CN)CC(=O)NC(C)(C)C)C1CCCCCC1 ZINC000091321027 180133727 /nfs/dbraw/zinc/13/37/27/180133727.db2.gz HZOOBKKIKCWHLK-AWEZNQCLSA-N 1 0 283.460 2.273 10 0 CEAERO CCN(Cc1ccccc1)[C@H](C[NH3+])CC(=O)NC(C)(C)C ZINC000091320827 180133788 /nfs/dbraw/zinc/13/37/88/180133788.db2.gz FXGPGZWXXIOYAQ-HNNXBMFYSA-N 1 0 291.439 2.141 10 0 CEAERO [NH3+]C[C@@H](CC(=O)N1CCCCC1)Nc1cccc(Cl)c1 ZINC000091325623 180135167 /nfs/dbraw/zinc/13/51/67/180135167.db2.gz DVSLEHHJZYVLOA-CQSZACIVSA-N 1 0 295.814 2.482 10 0 CEAERO C[C@H]([NH2+][C@@H](C)C(C)(C)C)c1ccc(S(N)(=O)=O)cc1 ZINC000091337660 180136409 /nfs/dbraw/zinc/13/64/09/180136409.db2.gz FBVHYTSENONKON-QWRGUYRKSA-N 1 0 284.425 2.419 10 0 CEAERO CCOC(C[NH2+][C@H]1CCN(Cc2ccccc2)C1)OCC ZINC000091354212 180138412 /nfs/dbraw/zinc/13/84/12/180138412.db2.gz GYEZVTNEVFCXDM-INIZCTEOSA-N 1 0 292.423 2.250 10 0 CEAERO c1cnc2nnc([C@@H]3CC[C@@H]4CCCC[C@@H]4[NH2+]3)n2c1 ZINC000091355283 180139108 /nfs/dbraw/zinc/13/91/08/180139108.db2.gz PBRZDDPEIIEKEP-SRVKXCTJSA-N 1 0 257.341 2.108 10 0 CEAERO O=C([C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCCCC1 ZINC000091359077 180140708 /nfs/dbraw/zinc/14/07/08/180140708.db2.gz JZBKTFSMDIQVKE-IHRRRGAJSA-N 1 0 250.386 2.310 10 0 CEAERO CN(CC(F)(F)F)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091359890 180140950 /nfs/dbraw/zinc/14/09/50/180140950.db2.gz NRYDJUQNYUNHKZ-DCAQKATOSA-N 1 0 278.318 2.318 10 0 CEAERO Cc1cccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3[NH2+]2)n1 ZINC000091360996 180141267 /nfs/dbraw/zinc/14/12/67/180141267.db2.gz PUAMVASBFJERIT-KBMXLJTQSA-N 1 0 287.407 2.317 10 0 CEAERO CC1(C)CN(C[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)CCO1 ZINC000091362331 180141517 /nfs/dbraw/zinc/14/15/17/180141517.db2.gz OVYSOSPTIJNEGX-KKUMJFAQSA-N 1 0 266.429 2.408 10 0 CEAERO CCOc1ccc([C@H]([NH3+])CSC[C@@H](C)CO)cc1 ZINC000091260436 180115737 /nfs/dbraw/zinc/11/57/37/180115737.db2.gz FFIQGPGGLCKYSU-SMDDNHRTSA-N 1 0 269.410 2.447 10 0 CEAERO CC(C)n1cncc1[C@@H](O)[C@H]1[NH2+]Cc2ccccc21 ZINC000091273626 180118000 /nfs/dbraw/zinc/11/80/00/180118000.db2.gz MIWOIMMUMNCNIQ-LSDHHAIUSA-N 1 0 257.337 2.342 10 0 CEAERO CCN(Cc1cncn1C(C)C)[C@H]1CCC[NH2+]C1 ZINC000091273023 180118105 /nfs/dbraw/zinc/11/81/05/180118105.db2.gz FEUXZAHHOFLZEX-ZDUSSCGKSA-N 1 0 250.390 2.038 10 0 CEAERO CC[NH2+][C@@H](CC(=O)OCC)c1cncn1C(C)C ZINC000091274087 180118963 /nfs/dbraw/zinc/11/89/63/180118963.db2.gz FSXBZONVGVSFQN-NSHDSACASA-N 1 0 253.346 2.068 10 0 CEAERO COc1ccc(N[C@@H](C[NH3+])c2cncn2C2CC2)cc1 ZINC000091276626 180120397 /nfs/dbraw/zinc/12/03/97/180120397.db2.gz QCQGHKUTMDJBJN-AWEZNQCLSA-N 1 0 272.352 2.339 10 0 CEAERO C[NH2+]Cc1cc(C)c(OCc2cncn2C)c(C)c1 ZINC000091278249 180120963 /nfs/dbraw/zinc/12/09/63/180120963.db2.gz HJAGXHYYOUSDGY-UHFFFAOYSA-N 1 0 259.353 2.335 10 0 CEAERO C[NH2+][C@H](CSc1ccccc1Cl)Cc1ncnn1C ZINC000091279316 180121335 /nfs/dbraw/zinc/12/13/35/180121335.db2.gz QFLSJZOTHLTARX-JTQLQIEISA-N 1 0 296.827 2.391 10 0 CEAERO CC[C@H](NC(=O)C[C@@H]1CSCC[NH2+]1)c1cccs1 ZINC000091290502 180121871 /nfs/dbraw/zinc/12/18/71/180121871.db2.gz UZJSHLVYMHWQEM-MNOVXSKESA-N 1 0 284.450 2.411 10 0 CEAERO C[C@@H]1CC[C@H](NC(=O)C[C@@H]2CSCC[NH2+]2)C[C@@H]1C ZINC000091291674 180123124 /nfs/dbraw/zinc/12/31/24/180123124.db2.gz YAACYVSCHAOIAC-MROQNXINSA-N 1 0 270.442 2.022 10 0 CEAERO CC[C@H](NCC[C@H]1CSCC[NH2+]1)c1nccs1 ZINC000091292342 180123552 /nfs/dbraw/zinc/12/35/52/180123552.db2.gz YHLADYMMMHYWOX-QWRGUYRKSA-N 1 0 271.455 2.279 10 0 CEAERO CN(CC[C@@H]1CSCC[NH2+]1)Cc1ccccc1F ZINC000091292057 180123623 /nfs/dbraw/zinc/12/36/23/180123623.db2.gz CEMVYCLCAGLHGE-CYBMUJFWSA-N 1 0 268.401 2.353 10 0 CEAERO FC(F)(F)[C@@H]1CCCN(CC[C@@H]2CSCC[NH2+]2)C1 ZINC000091292367 180123764 /nfs/dbraw/zinc/12/37/64/180123764.db2.gz JFCDKTXYPIFVDS-GHMZBOCLSA-N 1 0 282.375 2.356 10 0 CEAERO Clc1ccc2sc(C[C@@H]3C[NH2+]CCO3)nc2c1 ZINC000091294569 180124651 /nfs/dbraw/zinc/12/46/51/180124651.db2.gz WCJMHIJPRVXALQ-SECBINFHSA-N 1 0 268.769 2.481 10 0 CEAERO CN(C)[C@H]1CCC[N@H+](C[C@@H]2CCCCCC2=O)C1 ZINC000091431817 180153372 /nfs/dbraw/zinc/15/33/72/180153372.db2.gz NPVMRMUNEQOTSL-KBPBESRZSA-N 1 0 252.402 2.162 10 0 CEAERO C[C@H](C[NH+]1CCCC1)n1c(=O)c2ccccc2[n-]c1=S ZINC000104921545 186031682 /nfs/dbraw/zinc/03/16/82/186031682.db2.gz FYBWMNBYQKZFGO-LLVKDONJSA-N 1 0 289.404 2.342 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)N(C)CC1CC(O)C1 ZINC000091451130 180158693 /nfs/dbraw/zinc/15/86/93/180158693.db2.gz RXNSYCQNKOUTQS-DVTFPSANSA-N 1 0 266.385 2.069 10 0 CEAERO [NH3+]CCc1ccc(CNC(=O)c2ccncc2Cl)cc1 ZINC000091456862 180160282 /nfs/dbraw/zinc/16/02/82/180160282.db2.gz ACJKYJBPWWNFSH-UHFFFAOYSA-N 1 0 289.766 2.166 10 0 CEAERO CN(C(=O)c1ccncc1Cl)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000091457163 180161044 /nfs/dbraw/zinc/16/10/44/180161044.db2.gz NEXMCSSFIZEYIN-MFKMUULPSA-N 1 0 281.787 2.325 10 0 CEAERO CCC[NH2+]CC[C@](C)(O)Cc1ccn(C(C)C)n1 ZINC000091464767 180163103 /nfs/dbraw/zinc/16/31/03/180163103.db2.gz QGNARUMRGMYUKI-AWEZNQCLSA-N 1 0 253.390 2.147 10 0 CEAERO CC[C@H]([NH3+])Cc1noc(-c2ccncc2Cl)n1 ZINC000091464207 180163146 /nfs/dbraw/zinc/16/31/46/180163146.db2.gz FJYFKMPSTYATEP-ZETCQYMHSA-N 1 0 252.705 2.065 10 0 CEAERO COc1ccc(C)cc1C[C@@H](O)C[NH2+]CC(C)C ZINC000091465978 180163852 /nfs/dbraw/zinc/16/38/52/180163852.db2.gz MDICSQMKMVQHHE-CQSZACIVSA-N 1 0 251.370 2.153 10 0 CEAERO CCOc1ccc([C@](C)(O)CC[NH2+]C)cc1OCC ZINC000091467103 180164500 /nfs/dbraw/zinc/16/45/00/180164500.db2.gz SQDQNHGRXZZCAW-OAHLLOKOSA-N 1 0 267.369 2.301 10 0 CEAERO C[NH2+]CC[C@@](C)(O)c1ccccc1OC(F)(F)F ZINC000091470332 180164750 /nfs/dbraw/zinc/16/47/50/180164750.db2.gz ZBXJUWYJGZXNNG-LLVKDONJSA-N 1 0 263.259 2.402 10 0 CEAERO CCCOc1cccc(C(=O)N(C)CC2CC([NH3+])C2)c1 ZINC000091473393 180165474 /nfs/dbraw/zinc/16/54/74/180165474.db2.gz GAPOQZCSVVBDLF-UHFFFAOYSA-N 1 0 276.380 2.285 10 0 CEAERO Cc1ccc(C(F)(F)F)cc1N1C[C@@H](C[NH3+])CC1=O ZINC000091481050 180166666 /nfs/dbraw/zinc/16/66/66/180166666.db2.gz QNOZZYJAOLZMNY-SECBINFHSA-N 1 0 272.270 2.325 10 0 CEAERO C[NH2+]Cc1cn(-c2cc(C(F)(F)F)ccc2C)nn1 ZINC000091481348 180166878 /nfs/dbraw/zinc/16/68/78/180166878.db2.gz RUNYUYHUPNYPTJ-UHFFFAOYSA-N 1 0 270.258 2.314 10 0 CEAERO [NH3+]CC1CN(C(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000091479135 180166941 /nfs/dbraw/zinc/16/69/41/180166941.db2.gz WRVMMPDPHABWER-UHFFFAOYSA-N 1 0 273.258 2.128 10 0 CEAERO Cc1cccnc1C[C@H]([NH3+])c1ccc2c(c1)OCCO2 ZINC000091383956 180144233 /nfs/dbraw/zinc/14/42/33/180144233.db2.gz UEIKZTDUVWKDJB-ZDUSSCGKSA-N 1 0 270.332 2.404 10 0 CEAERO C[NH+](C)[C@H]1CCCN(C(=O)c2cccc3c2NCCC3)C1 ZINC000091392146 180144846 /nfs/dbraw/zinc/14/48/46/180144846.db2.gz NCIDRUGBZMZDJL-AWEZNQCLSA-N 1 0 287.407 2.211 10 0 CEAERO CC(C)(C)C[C@@H](NC(=O)C1C[NH2+]C1)c1ccccc1 ZINC000091395841 180146368 /nfs/dbraw/zinc/14/63/68/180146368.db2.gz CTVNZVIPDKAGHP-CQSZACIVSA-N 1 0 260.381 2.500 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc3cc(N)ccc3o2)C1 ZINC000091394412 180146443 /nfs/dbraw/zinc/14/64/43/180146443.db2.gz PYKJIWAENGJPRD-CYBMUJFWSA-N 1 0 287.363 2.181 10 0 CEAERO CS[C@H](C)C[NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000091403108 180146925 /nfs/dbraw/zinc/14/69/25/180146925.db2.gz LUJRGZZWOBQDOT-BDAKNGLRSA-N 1 0 265.382 2.258 10 0 CEAERO COc1cc2c(cc1OC)CN(CC(C)(C)[C@H](C)[NH3+])CC2 ZINC000091402558 180147081 /nfs/dbraw/zinc/14/70/81/180147081.db2.gz SYDYMNMFFNAXFZ-LBPRGKRZSA-N 1 0 292.423 2.435 10 0 CEAERO C[C@H]1CCC[C@@](CNCc2cnco2)([NH+](C)C)C1 ZINC000091409161 180148502 /nfs/dbraw/zinc/14/85/02/180148502.db2.gz WYCMIPWJIFUOOB-GXTWGEPZSA-N 1 0 251.374 2.275 10 0 CEAERO O=C(C[NH2+]C1CC(O)C1)Nc1c(Cl)cccc1Cl ZINC000091415761 180149561 /nfs/dbraw/zinc/14/95/61/180149561.db2.gz KNTCQHDXXHRNCC-UHFFFAOYSA-N 1 0 289.162 2.045 10 0 CEAERO OC1CC(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000091416074 180149575 /nfs/dbraw/zinc/14/95/75/180149575.db2.gz OQJZTBGAEXAGQY-LIZLNQBYSA-N 1 0 251.292 2.468 10 0 CEAERO C[NH2+]Cc1cncc(N2CC[C@H](c3ccccc3)C2)n1 ZINC000091418116 180149864 /nfs/dbraw/zinc/14/98/64/180149864.db2.gz LKCRMUSNMHQRID-AWEZNQCLSA-N 1 0 268.364 2.190 10 0 CEAERO CN(Cc1ccc(Cl)cc1)c1cncc(C[NH3+])n1 ZINC000091420911 180150613 /nfs/dbraw/zinc/15/06/13/180150613.db2.gz UGCNWDWZZHMXGF-UHFFFAOYSA-N 1 0 262.744 2.225 10 0 CEAERO C[NH2+]Cc1cncc(N(C)Cc2ccc(C)cc2)n1 ZINC000091418975 180150746 /nfs/dbraw/zinc/15/07/46/180150746.db2.gz UZXXJOLLOQJOML-UHFFFAOYSA-N 1 0 256.353 2.141 10 0 CEAERO CN(Cc1cccc(Cl)c1)c1cncc(C[NH3+])n1 ZINC000091419941 180150758 /nfs/dbraw/zinc/15/07/58/180150758.db2.gz YWZPWPRQXMZEMY-UHFFFAOYSA-N 1 0 262.744 2.225 10 0 CEAERO CC[C@H](C)N(CCOC)c1cncc(C[NH2+]C(C)C)n1 ZINC000091420634 180150769 /nfs/dbraw/zinc/15/07/69/180150769.db2.gz KMVIZHNOCNLTLU-ZDUSSCGKSA-N 1 0 280.416 2.226 10 0 CEAERO C[NH2+]Cc1cncc(N2CCCc3ccccc3C2)n1 ZINC000091421372 180150985 /nfs/dbraw/zinc/15/09/85/180150985.db2.gz COIQPGDQJGYTQA-UHFFFAOYSA-N 1 0 268.364 2.149 10 0 CEAERO CC1(C)Cc2cccc(C[NH2+]CC3CC(O)C3)c2O1 ZINC000091424047 180151124 /nfs/dbraw/zinc/15/11/24/180151124.db2.gz RAXSHEAAYKLQSV-UHFFFAOYSA-N 1 0 261.365 2.261 10 0 CEAERO CCc1c(C)nn(-c2cncc(C[NH2+]C(C)C)n2)c1C ZINC000091422449 180151345 /nfs/dbraw/zinc/15/13/45/180151345.db2.gz DBSDADLFEYDNIJ-UHFFFAOYSA-N 1 0 273.384 2.340 10 0 CEAERO CCn1nc(C)cc1C[C@H](O)C(C)(C)[NH+]1CCCCC1 ZINC000091563951 180192945 /nfs/dbraw/zinc/19/29/45/180192945.db2.gz ASQIRWUYOIPXPQ-HNNXBMFYSA-N 1 0 279.428 2.379 10 0 CEAERO CC(C)Cn1ncnc1C[C@H]([NH3+])C(C)(C)N1CCCCC1 ZINC000091564316 180193612 /nfs/dbraw/zinc/19/36/12/180193612.db2.gz VHZCVYIXJYUOCN-AWEZNQCLSA-N 1 0 293.459 2.068 10 0 CEAERO CC(C)Cn1ncnc1C[C@@H](O)C(C)(C)[NH+]1CCCCC1 ZINC000091564141 180193621 /nfs/dbraw/zinc/19/36/21/180193621.db2.gz HCGOVWXLNNYSAD-CQSZACIVSA-N 1 0 294.443 2.102 10 0 CEAERO Cc1ccc(C)c(C[C@H](O)C(C)(C)[NH+]2CCOCC2)c1 ZINC000091566032 180194137 /nfs/dbraw/zinc/19/41/37/180194137.db2.gz KVWDDHNKMUSMLX-INIZCTEOSA-N 1 0 277.408 2.318 10 0 CEAERO CC(C)([C@@H](O)Cc1cccnc1N)[NH+]1CCCCCC1 ZINC000091567663 180194907 /nfs/dbraw/zinc/19/49/07/180194907.db2.gz ZFVZONHZHDRAJS-AWEZNQCLSA-N 1 0 277.412 2.222 10 0 CEAERO Cn1nccc1[C@@H](N)C(C)(C)[NH+]1CCCCCC1 ZINC000091567947 180195139 /nfs/dbraw/zinc/19/51/39/180195139.db2.gz CWUVIUOFVNNVCQ-CYBMUJFWSA-N 1 0 250.390 2.075 10 0 CEAERO CC[C@@](C)([C@H](N)c1cc(OC)ccc1OC)[NH+](C)C ZINC000091570144 180195417 /nfs/dbraw/zinc/19/54/17/180195417.db2.gz OVVOSJKSQAUCKS-CABCVRRESA-N 1 0 266.385 2.434 10 0 CEAERO CCc1cc(C[C@@H]([NH2+]C)[C@@](C)(CC)N(C)C)n(CC)n1 ZINC000091570637 180195473 /nfs/dbraw/zinc/19/54/73/180195473.db2.gz QCEJFZJEJHNSIA-HZPDHXFCSA-N 1 0 280.460 2.326 10 0 CEAERO CC[NH2+][C@H](c1ccnn1CC)[C@](C)(CC)N(C)C ZINC000091571048 180195653 /nfs/dbraw/zinc/19/56/53/180195653.db2.gz XCODAOCTKQNOOT-KGLIPLIRSA-N 1 0 252.406 2.284 10 0 CEAERO CCn1nc(C)c(Cl)c1C[C@@H](O)[C@@](C)(CC)[NH+](C)C ZINC000091569577 180195751 /nfs/dbraw/zinc/19/57/51/180195751.db2.gz LSIBLXMWHDZZBW-TZMCWYRMSA-N 1 0 287.835 2.499 10 0 CEAERO CCc1nn(C)c(C[C@H](O)[C@@](C)(CC)[NH+](C)C)c1Cl ZINC000091569272 180195841 /nfs/dbraw/zinc/19/58/41/180195841.db2.gz VSVJGKKAYXGQHL-GXTWGEPZSA-N 1 0 287.835 2.270 10 0 CEAERO CCC[NH2+][C@@H](Cc1cccnc1N)[C@@](C)(CC)N(C)C ZINC000091571900 180196045 /nfs/dbraw/zinc/19/60/45/180196045.db2.gz SETHQHPQJOAKDT-GOEBONIOSA-N 1 0 278.444 2.305 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@H](N)c1c(C)ccnc1N ZINC000091573593 180196050 /nfs/dbraw/zinc/19/60/50/180196050.db2.gz FJQBTIHQRNUJCW-UKRRQHHQSA-N 1 0 264.417 2.483 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@H](N)c1cc(C)cnc1N ZINC000091573608 180196156 /nfs/dbraw/zinc/19/61/56/180196156.db2.gz ONAAZFXFGVKSND-HIFRSBDPSA-N 1 0 264.417 2.483 10 0 CEAERO CCC[NH2+][C@H](Cc1cnn(C)c1)[C@](C)(CC)N(C)C ZINC000091571831 180196325 /nfs/dbraw/zinc/19/63/25/180196325.db2.gz RYQNXLZBRPELCL-CABCVRRESA-N 1 0 266.433 2.061 10 0 CEAERO CCn1ccnc1[C@H](O)[C@@](C)(CC)[NH+](CC)CC ZINC000091572863 180196471 /nfs/dbraw/zinc/19/64/71/180196471.db2.gz QLEXTXNCLQRNPU-GXTWGEPZSA-N 1 0 253.390 2.447 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@@H](O)Cc1ccncc1 ZINC000091573323 180196544 /nfs/dbraw/zinc/19/65/44/180196544.db2.gz ANNAHJGJMXYIPZ-LSDHHAIUSA-N 1 0 250.386 2.496 10 0 CEAERO CCCc1nn(C)c(NCC[N@H+](C)C2CCCC2)c1N ZINC000091577216 180197875 /nfs/dbraw/zinc/19/78/75/180197875.db2.gz XQJDUDIDFGGERN-UHFFFAOYSA-N 1 0 279.432 2.241 10 0 CEAERO CC[C@](C)(C(=O)Cc1ccnc(N)c1)[NH+]1CCCC1 ZINC000091601745 180203570 /nfs/dbraw/zinc/20/35/70/180203570.db2.gz WSCDHPDQPGSKNV-OAHLLOKOSA-N 1 0 261.369 2.040 10 0 CEAERO CCc1cc(C[C@H](O)[C@](C)(CC)[NH+]2CCCC2)n(C)n1 ZINC000091603015 180203630 /nfs/dbraw/zinc/20/36/30/180203630.db2.gz XFCJGNUPBUYIQL-HOTGVXAUSA-N 1 0 279.428 2.150 10 0 CEAERO CCn1nccc1[C@H](NC)[C@](C)(CC)[NH+]1CCCC1 ZINC000091606075 180204568 /nfs/dbraw/zinc/20/45/68/180204568.db2.gz UXUMPPISRYMHOT-GJZGRUSLSA-N 1 0 264.417 2.428 10 0 CEAERO CCN[C@H](c1nccn1C)[C@](C)(CC)[NH+]1CCCC1 ZINC000091607253 180204619 /nfs/dbraw/zinc/20/46/19/180204619.db2.gz FHBWTIHSYMNWHJ-HIFRSBDPSA-N 1 0 264.417 2.335 10 0 CEAERO CC[C@](C)([C@H](N)c1nccn1C)[NH+]1CCCCC1 ZINC000091609134 180205486 /nfs/dbraw/zinc/20/54/86/180205486.db2.gz QWUNEDFWGWAVLM-TZMCWYRMSA-N 1 0 250.390 2.075 10 0 CEAERO C[NH2+][C@@H]1c2ccc(Sc3ncc(C)cn3)cc2NC1=O ZINC000104931489 186032625 /nfs/dbraw/zinc/03/26/25/186032625.db2.gz GCYJDRUZFJWPHY-GFCCVEGCSA-N 1 0 286.360 2.149 10 0 CEAERO CC[C@@](C)([C@@H](O)C1CCCCC1)[NH+]1CCOCC1 ZINC000091611255 180206786 /nfs/dbraw/zinc/20/67/86/180206786.db2.gz KEXHYQGTMOEXDX-GJZGRUSLSA-N 1 0 255.402 2.429 10 0 CEAERO CC[NH2+][C@@H](Cc1ccncc1)[C@](C)(CC)N1CCOCC1 ZINC000091613011 180207235 /nfs/dbraw/zinc/20/72/35/180207235.db2.gz HGDNPNWWKVGCGO-IRXDYDNUSA-N 1 0 291.439 2.103 10 0 CEAERO CC[C@@](C)([C@H](Cc1cccs1)[NH2+]C)N1CCOCC1 ZINC000091612467 180207255 /nfs/dbraw/zinc/20/72/55/180207255.db2.gz HKHKBIOCJLXKED-GJZGRUSLSA-N 1 0 282.453 2.380 10 0 CEAERO CCC[NH2+][C@@H](C1CC1)[C@@](C)(CC)N1CCOCC1 ZINC000091613193 180207875 /nfs/dbraw/zinc/20/78/75/180207875.db2.gz VHMUGSOBLMFYIF-LSDHHAIUSA-N 1 0 254.418 2.266 10 0 CEAERO CCC(CC)([C@@H](O)c1cc(Cl)cnc1N)[NH+](C)C ZINC000091613532 180208067 /nfs/dbraw/zinc/20/80/67/180208067.db2.gz YJUNWUNTSGHPSA-NSHDSACASA-N 1 0 271.792 2.471 10 0 CEAERO CCCn1ncnc1C[C@H](O)C(CC)(CC)[NH+](CC)CC ZINC000091615499 180208306 /nfs/dbraw/zinc/20/83/06/180208306.db2.gz SIXIRRZIXOQBNV-AWEZNQCLSA-N 1 0 296.459 2.492 10 0 CEAERO CCCn1ncnc1C[C@@H]([NH2+]CC)C(CC)(CC)N(C)C ZINC000091614897 180208320 /nfs/dbraw/zinc/20/83/20/180208320.db2.gz BJDVFSDHYIQBTB-CQSZACIVSA-N 1 0 295.475 2.329 10 0 CEAERO CC[NH+](CC)C(CC)(CC)[C@@H](O)c1cnccn1 ZINC000091615622 180208324 /nfs/dbraw/zinc/20/83/24/180208324.db2.gz SGXCYALRMKEUMX-ZDUSSCGKSA-N 1 0 251.374 2.411 10 0 CEAERO COc1ccc(C[NH2+]CC2CC(O)C2)c(Cl)c1OC ZINC000091525422 180178882 /nfs/dbraw/zinc/17/88/82/180178882.db2.gz UCEKIMWXGCLWMJ-UHFFFAOYSA-N 1 0 285.771 2.218 10 0 CEAERO CC(C)Cc1ccc([C@H](O)C[NH2+]CC2CC(O)C2)cc1 ZINC000091525676 180179194 /nfs/dbraw/zinc/17/91/94/180179194.db2.gz HZMQKMJOORMHCU-BDVYOWHSSA-N 1 0 277.408 2.279 10 0 CEAERO CCC(CC)n1ccc(C[C@@H](O)C(C)(C)[NH+](C)C)n1 ZINC000091528342 180179395 /nfs/dbraw/zinc/17/93/95/180179395.db2.gz WFHGAGXGRMCRDX-CQSZACIVSA-N 1 0 267.417 2.488 10 0 CEAERO CC[C@H](C)n1ccc(CC(=O)C(C)(C)[NH+](C)C)n1 ZINC000091528123 180179981 /nfs/dbraw/zinc/17/99/81/180179981.db2.gz JSSVEPHIGQCFGL-NSHDSACASA-N 1 0 251.374 2.306 10 0 CEAERO C[NH2+][C@@H](Cc1ccncc1Cl)C(C)(C)N(C)C ZINC000091528635 180180314 /nfs/dbraw/zinc/18/03/14/180180314.db2.gz XTQCRRSQDALLRV-LBPRGKRZSA-N 1 0 255.793 2.206 10 0 CEAERO CCc1nn(C)c(C[C@H](O)C(C)(C)[NH+]2CCCC2)c1Cl ZINC000091533168 180181228 /nfs/dbraw/zinc/18/12/28/180181228.db2.gz PIEOGVZWNSLYNW-ZDUSSCGKSA-N 1 0 299.846 2.414 10 0 CEAERO CC(C)([C@@H](N)c1ccc2c(c1)OCCO2)[NH+]1CCCC1 ZINC000091533874 180181250 /nfs/dbraw/zinc/18/12/50/180181250.db2.gz YCMGUGFNCMWJBV-HNNXBMFYSA-N 1 0 276.380 2.332 10 0 CEAERO CC[NH2+][C@H](Cc1cnn(CC)c1)C(C)(C)N1CCCC1 ZINC000091535323 180182525 /nfs/dbraw/zinc/18/25/25/180182525.db2.gz OEBNSFGRVAROAU-OAHLLOKOSA-N 1 0 278.444 2.298 10 0 CEAERO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC2CC(O)C2)c1 ZINC000091538777 180183009 /nfs/dbraw/zinc/18/30/09/180183009.db2.gz HXSBPAYAMHYBPM-CKQAKLJMSA-N 1 0 262.353 2.067 10 0 CEAERO CCC(=O)Nc1cccc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)c1C ZINC000091545848 180186352 /nfs/dbraw/zinc/18/63/52/180186352.db2.gz PDTKBGPNKJWTNY-NWDGAFQWSA-N 1 0 289.379 2.409 10 0 CEAERO CCn1ncnc1C[C@@H](NC)C(CC)(CC)[NH+](CC)CC ZINC000091633873 180210477 /nfs/dbraw/zinc/21/04/77/180210477.db2.gz HLTPCQBTKNGMOR-CQSZACIVSA-N 1 0 295.475 2.329 10 0 CEAERO CCC(CC)([C@@H](O)c1ccnn1C)[NH+]1CCCC1 ZINC000091634665 180211571 /nfs/dbraw/zinc/21/15/71/180211571.db2.gz ZRJNOZOERJQMLR-ZDUSSCGKSA-N 1 0 251.374 2.108 10 0 CEAERO CCn1cc(CC(=O)C2([NH+]3CCCC3)CCCC2)cn1 ZINC000091639981 180211965 /nfs/dbraw/zinc/21/19/65/180211965.db2.gz UEBPOTMCIYJRIR-UHFFFAOYSA-N 1 0 275.396 2.423 10 0 CEAERO CCCn1ncnc1C[C@@H](N)C1([NH+](CC)CC)CCCC1 ZINC000091639335 180212090 /nfs/dbraw/zinc/21/20/90/180212090.db2.gz XTOGLVXURVVMNL-CQSZACIVSA-N 1 0 293.459 2.213 10 0 CEAERO CCN(CC)C1([C@H](Cc2cnn(C)c2)[NH2+]C)CCCC1 ZINC000091639470 180212503 /nfs/dbraw/zinc/21/25/03/180212503.db2.gz CSXWDYVTRYGVTF-HNNXBMFYSA-N 1 0 278.444 2.205 10 0 CEAERO CC[NH+](CC)C1([C@@H](O)c2nccn2C)CCCC1 ZINC000091638979 180212711 /nfs/dbraw/zinc/21/27/11/180212711.db2.gz NNUVKCSHBVHTAE-LBPRGKRZSA-N 1 0 251.374 2.108 10 0 CEAERO O[C@@H](CC1CCC1)C1([NH+]2CCOCC2)CCCC1 ZINC000091642747 180214148 /nfs/dbraw/zinc/21/41/48/180214148.db2.gz SWBQAOXIYCFKFZ-AWEZNQCLSA-N 1 0 253.386 2.183 10 0 CEAERO C[NH2+][C@H](Cc1ncnn1C(C)C)C1(N(C)C)CCCCC1 ZINC000091647693 180215891 /nfs/dbraw/zinc/21/58/91/180215891.db2.gz RPHCKJBMIMNBSF-CQSZACIVSA-N 1 0 293.459 2.254 10 0 CEAERO CC1CCC([C@@H](N)Cc2cccnc2N)([NH+](C)C)CC1 ZINC000091648814 180216070 /nfs/dbraw/zinc/21/60/70/180216070.db2.gz RRXQKKGEBREBKA-UGWHAMFMSA-N 1 0 276.428 2.044 10 0 CEAERO CCCn1ncnc1C[C@@H](N)C1([NH+](C)C)CCC(C)CC1 ZINC000091648972 180216107 /nfs/dbraw/zinc/21/61/07/180216107.db2.gz WWPYDBKJHHVMNC-NPCAHTBFSA-N 1 0 293.459 2.068 10 0 CEAERO C[C@H]1CCC[C@](C(=O)c2cnccc2N)([NH+](C)C)C1 ZINC000091650583 180216126 /nfs/dbraw/zinc/21/61/26/180216126.db2.gz XIAMZCLSZUMHKK-NHYWBVRUSA-N 1 0 261.369 2.357 10 0 CEAERO C[NH2+][C@H](Cc1cccnc1N)[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC000091652681 180217084 /nfs/dbraw/zinc/21/70/84/180217084.db2.gz DVXNEDUGZGFXKK-UNEWFSDZSA-N 1 0 290.455 2.305 10 0 CEAERO Cc1cnc(Cl)nc1N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000091659064 180218841 /nfs/dbraw/zinc/21/88/41/180218841.db2.gz DNVUPMYSCXMHJE-LLVKDONJSA-N 1 0 266.776 2.113 10 0 CEAERO C[C@H](Cc1ccccc1)[NH2+]C[C@H]1CN2CCC[C@@H]2CO1 ZINC000091662602 180220174 /nfs/dbraw/zinc/22/01/74/180220174.db2.gz DDIUBLWVRKANAS-OIISXLGYSA-N 1 0 274.408 2.070 10 0 CEAERO Cc1cccc2c1OCCC[C@H]2[NH2+]C[C@@H]1CN(C)CCO1 ZINC000091667511 180223243 /nfs/dbraw/zinc/22/32/43/180223243.db2.gz WUCUXCJSTIZJJT-GDBMZVCRSA-N 1 0 290.407 2.129 10 0 CEAERO CC[C@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)c1nc(C)cs1 ZINC000105307790 186051218 /nfs/dbraw/zinc/05/12/18/186051218.db2.gz CGNXPWDMEXMKPM-RYUDHWBXSA-N 1 0 296.440 2.248 10 0 CEAERO CCOc1ccc(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000091714054 180231540 /nfs/dbraw/zinc/23/15/40/180231540.db2.gz UIYXNWVBFJSDLE-UKRRQHHQSA-N 1 0 275.348 2.131 10 0 CEAERO C[NH2+][C@@H](c1ccc(C(C)C)cc1)[C@@H]1CN(C)CCO1 ZINC000091717730 180232925 /nfs/dbraw/zinc/23/29/25/180232925.db2.gz HXCBFCXERNBILJ-HOTGVXAUSA-N 1 0 262.397 2.401 10 0 CEAERO CC[NH2+][C@H](c1cc(C)ccc1C)[C@@H]1CN(C)CCO1 ZINC000091718695 180233266 /nfs/dbraw/zinc/23/32/66/180233266.db2.gz ZWIAPBSGOQYRTD-JKSUJKDBSA-N 1 0 262.397 2.285 10 0 CEAERO CCC[NH2+][C@H](c1cc(C)ccc1OC)[C@@H]1CN(C)CCO1 ZINC000091719507 180234176 /nfs/dbraw/zinc/23/41/76/180234176.db2.gz NBUNPKSOFOOPJV-DLBZAZTESA-N 1 0 292.423 2.375 10 0 CEAERO CCC[NH2+][C@H](c1ccc(OC)cc1C)[C@H]1CN(C)CCO1 ZINC000091719557 180234348 /nfs/dbraw/zinc/23/43/48/180234348.db2.gz WRYPKBQDIQLRBQ-IAGOWNOFSA-N 1 0 292.423 2.375 10 0 CEAERO CCC[NH2+][C@H](c1ccc(F)c(F)c1)[C@H]1CN(C)CCO1 ZINC000091719285 180234505 /nfs/dbraw/zinc/23/45/05/180234505.db2.gz RFVLIMFCPWKXDB-HUUCEWRRSA-N 1 0 284.350 2.336 10 0 CEAERO O[C@H]1COCC[C@@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC000624235552 350239238 /nfs/dbraw/zinc/23/92/38/350239238.db2.gz MEYTWOGPOKHWLT-GQGLESIBSA-N 1 0 275.392 2.452 10 0 CEAERO C[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1ccc(OC(F)F)cc1 ZINC000624235575 350239708 /nfs/dbraw/zinc/23/97/08/350239708.db2.gz MOKBDUBWTBRKAT-TVYUQYBPSA-N 1 0 287.306 2.088 10 0 CEAERO C[NH2+][C@H](C1CCC(C)CC1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721423 180237747 /nfs/dbraw/zinc/23/77/47/180237747.db2.gz VWCGSMLFDGDPGE-KDQUWOQTSA-N 1 0 266.429 2.264 10 0 CEAERO O[C@H]1COCC[C@@H]1[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000624238045 350241240 /nfs/dbraw/zinc/24/12/40/350241240.db2.gz JCYWLAYOKAVQQV-MOQPVCNJSA-N 1 0 281.783 2.325 10 0 CEAERO C[NH2+][C@H](c1cccc(C)c1C)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721307 180238282 /nfs/dbraw/zinc/23/82/82/180238282.db2.gz YWDFQRNNMYKPJF-DJIMGWMZSA-N 1 0 274.408 2.427 10 0 CEAERO COc1cccc(NC(=O)Cn2cccc2[C@H](C)[NH3+])c1 ZINC000091800087 180259436 /nfs/dbraw/zinc/25/94/36/180259436.db2.gz ARCLLSRJGGGPKH-NSHDSACASA-N 1 0 273.336 2.155 10 0 CEAERO CC[NH2+][C@H](C)c1cccn1Cc1cc(COC)on1 ZINC000091801689 180259496 /nfs/dbraw/zinc/25/94/96/180259496.db2.gz RUTYGYCYZPPWSC-LLVKDONJSA-N 1 0 263.341 2.341 10 0 CEAERO CCN(C(=O)c1ccc(C)c(O)c1)C1CCC([NH3+])CC1 ZINC000091850162 180272568 /nfs/dbraw/zinc/27/25/68/180272568.db2.gz FYHRVJKIEHAQOP-UHFFFAOYSA-N 1 0 276.380 2.433 10 0 CEAERO C[N@H+](Cc1ccncc1)C1CCC2(CC1)OCCO2 ZINC000091853471 180273671 /nfs/dbraw/zinc/27/36/71/180273671.db2.gz XADAZXLESGSBOW-UHFFFAOYSA-N 1 0 262.353 2.199 10 0 CEAERO C[C@H](C(=O)N1CCCCCC1)[N@H+](C)C1CCC(=O)CC1 ZINC000091853955 180273723 /nfs/dbraw/zinc/27/37/23/180273723.db2.gz HDSOXFCVHYYUJX-CYBMUJFWSA-N 1 0 280.412 2.221 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)[C@H](OC)c2ccccc2)CC1 ZINC000091854522 180274579 /nfs/dbraw/zinc/27/45/79/180274579.db2.gz SALOISBQAVPGPK-UYSNPLJNSA-N 1 0 290.407 2.363 10 0 CEAERO CCC[C@@H](C)NC(=O)Cn1ccc([C@@H](C)[NH2+]C)c1 ZINC000091804628 180259726 /nfs/dbraw/zinc/25/97/26/180259726.db2.gz WWJAPBHLCSHXDU-VXGBXAGGSA-N 1 0 251.374 2.073 10 0 CEAERO CCC[NH2+][C@@H](C)c1cccn1CCOCCOC ZINC000091802618 180259876 /nfs/dbraw/zinc/25/98/76/180259876.db2.gz SGTZRPGGTPGWBN-ZDUSSCGKSA-N 1 0 254.374 2.212 10 0 CEAERO Cc1ccc(NC(=O)Cn2ccc([C@H](C)[NH3+])c2)cc1 ZINC000091803565 180259926 /nfs/dbraw/zinc/25/99/26/180259926.db2.gz OGKHUYMCIMXHSQ-LBPRGKRZSA-N 1 0 257.337 2.455 10 0 CEAERO CCC[NH2+][C@@H](C)c1cccn1CCC(=O)N(C)C ZINC000091802496 180259981 /nfs/dbraw/zinc/25/99/81/180259981.db2.gz CJXATAWYRWGMJE-LBPRGKRZSA-N 1 0 251.374 2.027 10 0 CEAERO CC[NH2+][C@H](C)c1ccn(CCCC(=O)N(C)C)c1 ZINC000091805719 180260677 /nfs/dbraw/zinc/26/06/77/180260677.db2.gz ORDKLYPRTHBQOW-GFCCVEGCSA-N 1 0 251.374 2.027 10 0 CEAERO CCCCNC(=O)Cn1ccc([C@@H](CC)[NH2+]C)c1 ZINC000091816733 180263048 /nfs/dbraw/zinc/26/30/48/180263048.db2.gz DIEJRECEHISGCR-CYBMUJFWSA-N 1 0 251.374 2.075 10 0 CEAERO CC[NH2+][C@H](CC)c1ccn(CC(=O)N(C)CC)c1 ZINC000091817378 180263151 /nfs/dbraw/zinc/26/31/51/180263151.db2.gz QUPVUDZJIQSEHI-CYBMUJFWSA-N 1 0 251.374 2.027 10 0 CEAERO CCC[C@H]([NH2+]CC)c1ccn(CC(=O)N[C@H](C)COC)c1 ZINC000091823297 180263930 /nfs/dbraw/zinc/26/39/30/180263930.db2.gz HBOWGSSDBZFSLR-HIFRSBDPSA-N 1 0 295.427 2.090 10 0 CEAERO CCC[C@H]([NH3+])c1ccn(CCCS(=O)(=O)CC)c1 ZINC000091821561 180263936 /nfs/dbraw/zinc/26/39/36/180263936.db2.gz IHKGKMYNQKTZQI-ZDUSSCGKSA-N 1 0 272.414 2.113 10 0 CEAERO CCC[NH2+][C@H](c1ccn(CC(=O)N(C)CC)c1)C1CC1 ZINC000091839555 180268086 /nfs/dbraw/zinc/26/80/86/180268086.db2.gz VHTASMYZVGMCLB-INIZCTEOSA-N 1 0 277.412 2.417 10 0 CEAERO CC[NH2+][C@H](c1ccn(CC(=O)OCC)c1)C1CC1 ZINC000091837836 180268246 /nfs/dbraw/zinc/26/82/46/180268246.db2.gz WLMOTPZTPNZEDR-AWEZNQCLSA-N 1 0 250.342 2.112 10 0 CEAERO CC[N@H+](Cc1ccc(C(=O)[O-])o1)C1CCC([NH3+])CC1 ZINC000091850692 180271827 /nfs/dbraw/zinc/27/18/27/180271827.db2.gz RMTQOSCHDHSLTH-UHFFFAOYSA-N 1 0 266.341 2.070 10 0 CEAERO CCN(C(=O)CC[C@@H]1CCCO1)C1CCC([NH3+])CC1 ZINC000091850215 180272233 /nfs/dbraw/zinc/27/22/33/180272233.db2.gz YVUZCAIIIIOWIP-RUXDESIVSA-N 1 0 268.401 2.064 10 0 CEAERO O=C(N(CC(F)(F)F)C1CC[NH2+]CC1)N1CCCCC1 ZINC000091969143 180294564 /nfs/dbraw/zinc/29/45/64/180294564.db2.gz RZWKJRBRYXIQJX-UHFFFAOYSA-N 1 0 293.333 2.209 10 0 CEAERO CCC[NH2+]C1CCC(N(C)c2nccn(CC)c2=O)CC1 ZINC000091870743 180277255 /nfs/dbraw/zinc/27/72/55/180277255.db2.gz DDSRVVIIFMXHJG-UHFFFAOYSA-N 1 0 292.427 2.010 10 0 CEAERO CCC[NH2+]C1CCC(N(C)S(=O)(=O)CC(C)C)CC1 ZINC000091869848 180277292 /nfs/dbraw/zinc/27/72/92/180277292.db2.gz UOAQIMRACXXWPT-UHFFFAOYSA-N 1 0 290.473 2.215 10 0 CEAERO CC[C@@](O)(C(C)C)[C@]1(C[NH3+])COc2ccccc2C1 ZINC000091906668 180284061 /nfs/dbraw/zinc/28/40/61/180284061.db2.gz OCGXGPJZYIGFBD-HZPDHXFCSA-N 1 0 263.381 2.364 10 0 CEAERO CCOc1cc([C@H](O)[C@H](C)C[NH3+])ccc1OC(F)F ZINC000091909053 180284704 /nfs/dbraw/zinc/28/47/04/180284704.db2.gz QLSOAOUNLQUNIR-PRHODGIISA-N 1 0 275.295 2.315 10 0 CEAERO CC[C@@H](C[NH3+])[C@@H](O)c1ccc(OC)c(OC(F)F)c1 ZINC000091909137 180284769 /nfs/dbraw/zinc/28/47/69/180284769.db2.gz RTVSLLIOHGQNKN-QPUJVOFHSA-N 1 0 275.295 2.315 10 0 CEAERO [NH3+]C[C@@]1([C@@H](O)c2ccccn2)CCCc2ccccc21 ZINC000091910171 180285084 /nfs/dbraw/zinc/28/50/84/180285084.db2.gz SDJZKGGFOBEDQY-IRXDYDNUSA-N 1 0 268.360 2.348 10 0 CEAERO CC(C)C1CCC(C[NH3+])([C@H](O)[C@H]2CCOC2)CC1 ZINC000091912161 180285309 /nfs/dbraw/zinc/28/53/09/180285309.db2.gz RZFNREFYXQNLJT-RAFNIBEQSA-N 1 0 255.402 2.175 10 0 CEAERO CC1(C)C[C@](O)(C2(C[NH3+])Cc3ccccc3C2)CCO1 ZINC000091919013 180286677 /nfs/dbraw/zinc/28/66/77/180286677.db2.gz MXTSPJAHPYZFHX-KRWDZBQOSA-N 1 0 275.392 2.050 10 0 CEAERO CC(C)n1cncc1[C@@H](O)C1(C[NH3+])CCCCC1 ZINC000091926464 180287370 /nfs/dbraw/zinc/28/73/70/180287370.db2.gz FKJNMHBXJQWVPU-CYBMUJFWSA-N 1 0 251.374 2.407 10 0 CEAERO CCOC(=O)[C@@H](O)C1(C[NH3+])CCC(C(C)(C)C)CC1 ZINC000091925493 180287418 /nfs/dbraw/zinc/28/74/18/180287418.db2.gz BIXICAQVLKEZLX-MQYJIDSJSA-N 1 0 271.401 2.092 10 0 CEAERO CCN1CCO[C@@H](COc2ccc(C)cc2[C@H](C)[NH3+])C1 ZINC000092051342 180312884 /nfs/dbraw/zinc/31/28/84/180312884.db2.gz RLIOIKHTJPMQBB-UONOGXRCSA-N 1 0 278.396 2.114 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]CC(C)(C)c2ccccc2)C1 ZINC000092052217 180312979 /nfs/dbraw/zinc/31/29/79/180312979.db2.gz BMPFWYMZBGQMPI-INIZCTEOSA-N 1 0 276.424 2.275 10 0 CEAERO CCN1CCO[C@@H](COc2cc(F)ccc2[C@@H](C)[NH2+]C)C1 ZINC000092051271 180313101 /nfs/dbraw/zinc/31/31/01/180313101.db2.gz IMGGHIWTZPDJMI-TZMCWYRMSA-N 1 0 296.386 2.206 10 0 CEAERO C[NH2+]CC[C@@H]1CCCCN1C(=O)N1CCCCCC1 ZINC000091971668 180295572 /nfs/dbraw/zinc/29/55/72/180295572.db2.gz DMTDBOXQIDXPPV-AWEZNQCLSA-N 1 0 267.417 2.446 10 0 CEAERO [NH3+][C@H]1CCCCC[C@H]1NC(=O)N1CCCCCC1 ZINC000091971618 180295619 /nfs/dbraw/zinc/29/56/19/180295619.db2.gz IFTVDRQELTUVOC-QWHCGFSZSA-N 1 0 253.390 2.232 10 0 CEAERO CCN(C(=O)N1CCC[C@H](C)C1)[C@H]1CCC[C@@H]1C[NH3+] ZINC000091991527 180300019 /nfs/dbraw/zinc/30/00/19/180300019.db2.gz OAMBLJYKEXUTFE-MJBXVCDLSA-N 1 0 267.417 2.288 10 0 CEAERO CCc1nc(COc2ccc(C)nc2C[NH2+]C(C)C)no1 ZINC000091995447 180301726 /nfs/dbraw/zinc/30/17/26/180301726.db2.gz RNOSTIQJCBFXTG-UHFFFAOYSA-N 1 0 290.367 2.412 10 0 CEAERO COC[C@H](C)Oc1ccc(C)nc1C[NH2+]C(C)C ZINC000091995455 180302088 /nfs/dbraw/zinc/30/20/88/180302088.db2.gz WIAOHRWXQPIPII-LBPRGKRZSA-N 1 0 252.358 2.302 10 0 CEAERO Cc1ccc(OCC2CCOCC2)c(C[C@H](C)[NH3+])n1 ZINC000092000287 180303547 /nfs/dbraw/zinc/30/35/47/180303547.db2.gz GIWRKEYPCMQWFY-NSHDSACASA-N 1 0 264.369 2.085 10 0 CEAERO CCNc1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC000092002810 180304159 /nfs/dbraw/zinc/30/41/59/180304159.db2.gz OKTYDFXNWCBNES-CABCVRRESA-N 1 0 274.412 2.182 10 0 CEAERO C[C@H]1CN(C(=O)CC2CCC(C[NH3+])CC2)C[C@H]1C ZINC000092113016 180327187 /nfs/dbraw/zinc/32/71/87/180327187.db2.gz IMPMNEMEHDHLJN-VTXSZYRJSA-N 1 0 252.402 2.256 10 0 CEAERO Cc1cc(C[NH3+])cc(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)c1C ZINC000092113695 180327541 /nfs/dbraw/zinc/32/75/41/180327541.db2.gz NRAXSONTJQBYGZ-TXEJJXNPSA-N 1 0 296.436 2.039 10 0 CEAERO CCn1nc(C)c(Cl)c1C[C@@H]([NH2+]C)C(C)(C)OC ZINC000092139035 180333486 /nfs/dbraw/zinc/33/34/86/180333486.db2.gz RNYFEPLKMKBINE-LLVKDONJSA-N 1 0 273.808 2.420 10 0 CEAERO C[NH2+]C[C@@H](C)c1c(C)nc(C(C)(C)OC)nc1C ZINC000092141041 180333610 /nfs/dbraw/zinc/33/36/10/180333610.db2.gz PFGMNAZPYVPDNH-SECBINFHSA-N 1 0 251.374 2.298 10 0 CEAERO C[NH2+][C@@H](c1ccc(OC)c(OC)c1)C(C)(C)OC ZINC000092138934 180333633 /nfs/dbraw/zinc/33/36/33/180333633.db2.gz BITAINVAJDHYSP-ZDUSSCGKSA-N 1 0 253.342 2.389 10 0 CEAERO CCC[NH2+][C@@H](Cc1cnn(CC)c1)C(C)(C)OC ZINC000092140142 180333859 /nfs/dbraw/zinc/33/38/59/180333859.db2.gz JIYIQSBJGKETME-ZDUSSCGKSA-N 1 0 253.390 2.239 10 0 CEAERO CC(C)Cn1c2ccc(C[NH3+])cc2nc1CCCO ZINC000092150880 180334776 /nfs/dbraw/zinc/33/47/76/180334776.db2.gz ATQJVIXLUIACNR-UHFFFAOYSA-N 1 0 261.369 2.076 10 0 CEAERO CCCN[C@](C)(CC[N@@H+]1C[C@H](C)[C@H](C)C1)C(=O)OCC ZINC000092087691 180321032 /nfs/dbraw/zinc/32/10/32/180321032.db2.gz YCTHIJHDOFBWQO-IJEWVQPXSA-N 1 0 284.444 2.286 10 0 CEAERO C[C@H]1CN(C(=O)C2(C[NH3+])CCCCCC2)C[C@H]1C ZINC000092087361 180321547 /nfs/dbraw/zinc/32/15/47/180321547.db2.gz AFSSXPWHLLPHJG-BETUJISGSA-N 1 0 252.402 2.400 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)Nc2ccccc2OC(F)(F)F)C1 ZINC000092201383 180342683 /nfs/dbraw/zinc/34/26/83/180342683.db2.gz GHYXXRRTFYQFQX-DTWKUNHWSA-N 1 0 286.253 2.427 10 0 CEAERO CN(C)c1c(Cl)cccc1NC(=O)[C@@H]1C=C[C@H]([NH3+])C1 ZINC000092202297 180342832 /nfs/dbraw/zinc/34/28/32/180342832.db2.gz RVVJKMSRIRZOGD-ZJUUUORDSA-N 1 0 279.771 2.248 10 0 CEAERO CCOCc1ccccc1NC(=O)[C@H]1C=C[C@H]([NH3+])C1 ZINC000092202180 180342877 /nfs/dbraw/zinc/34/28/77/180342877.db2.gz JWVGOYVWZPEYPF-AAEUAGOBSA-N 1 0 260.337 2.065 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)Nc2cc(Br)ccc2F)C1 ZINC000092201984 180343003 /nfs/dbraw/zinc/34/30/03/180343003.db2.gz JPYNOUOWRMOXCX-CBAPKCEASA-N 1 0 299.143 2.430 10 0 CEAERO CCc1ccc(CN(C)C(=O)[C@@H]2C=C[C@@H]([NH3+])C2)cc1 ZINC000092202075 180343045 /nfs/dbraw/zinc/34/30/45/180343045.db2.gz QCTSMMNLIRWFNT-HUUCEWRRSA-N 1 0 258.365 2.111 10 0 CEAERO CC[C@H](C)[C@H]1CN(C[C@@H]2COc3ccccc32)CC[NH2+]1 ZINC000092307244 180360079 /nfs/dbraw/zinc/36/00/79/180360079.db2.gz RBHWQFISGOKXGZ-SQWLQELKSA-N 1 0 274.408 2.483 10 0 CEAERO COc1ccc(OC(F)F)c(NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)c1 ZINC000092203050 180343364 /nfs/dbraw/zinc/34/33/64/180343364.db2.gz WLADMCUAWGCPKA-RKDXNWHRSA-N 1 0 298.289 2.139 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)Nc2cccc3cnccc32)C1 ZINC000092202626 180343457 /nfs/dbraw/zinc/34/34/57/180343457.db2.gz PECIWZUBAHOJHI-JQWIXIFHSA-N 1 0 253.305 2.077 10 0 CEAERO CCOc1cc(F)ccc1NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092203758 180343558 /nfs/dbraw/zinc/34/35/58/180343558.db2.gz HPRYBBKSULVYFJ-MWLCHTKSSA-N 1 0 264.300 2.066 10 0 CEAERO CN(Cc1c(F)cccc1Cl)C(=O)[C@H]1C=C[C@H]([NH3+])C1 ZINC000092204423 180343603 /nfs/dbraw/zinc/34/36/03/180343603.db2.gz WBDYHKJCZGVBDT-UWVGGRQHSA-N 1 0 282.746 2.341 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)N(Cc2ccc(F)cc2)C2CC2)C1 ZINC000092204616 180343611 /nfs/dbraw/zinc/34/36/11/180343611.db2.gz LYXXBVJFTVTQRS-OCCSQVGLSA-N 1 0 274.339 2.220 10 0 CEAERO CCc1nc2cc(NC(=O)[C@H]3C=C[C@@H]([NH3+])C3)ccc2o1 ZINC000092204309 180343799 /nfs/dbraw/zinc/34/37/99/180343799.db2.gz XCNPLIVTADCUCH-VHSXEESVSA-N 1 0 271.320 2.232 10 0 CEAERO CCOc1ccc(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)c(C)c1 ZINC000092204267 180343882 /nfs/dbraw/zinc/34/38/82/180343882.db2.gz WHFKKQKHKNQHRE-NWDGAFQWSA-N 1 0 260.337 2.236 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)N(CC2CCCCC2)C2CC2)C1 ZINC000092205333 180344219 /nfs/dbraw/zinc/34/42/19/180344219.db2.gz CTLWGEAUCFOHLX-KBPBESRZSA-N 1 0 262.397 2.461 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)N2CCCCc3ccccc32)C1 ZINC000092208449 180344869 /nfs/dbraw/zinc/34/48/69/180344869.db2.gz QRRAPHFKBSCXJB-ZIAGYGMSSA-N 1 0 256.349 2.259 10 0 CEAERO CCC[C@@H]1CCCN(C(=O)[C@H]2C=C[C@@H]([NH3+])C2)CC1 ZINC000092207956 180344968 /nfs/dbraw/zinc/34/49/68/180344968.db2.gz MUUKXTXWSQTGSB-HZSPNIEDSA-N 1 0 250.386 2.319 10 0 CEAERO CCC[C@@H](C[NH3+])NC(=O)[C@H]1CSc2ccccc21 ZINC000092239651 180351004 /nfs/dbraw/zinc/35/10/04/180351004.db2.gz NSZYXWBDOHDLGR-JQWIXIFHSA-N 1 0 264.394 2.120 10 0 CEAERO CN(CC[NH2+]C[C@H]1Cc2ccccc2S1)C1CC1 ZINC000092244144 180352229 /nfs/dbraw/zinc/35/22/29/180352229.db2.gz ZLILTOUZARYOQA-CQSZACIVSA-N 1 0 262.422 2.387 10 0 CEAERO CC[NH2+]Cc1ncnn1C[C@@H]1Cc2ccccc2S1 ZINC000092271263 180355757 /nfs/dbraw/zinc/35/57/57/180355757.db2.gz WXYATDFNTUYALZ-LBPRGKRZSA-N 1 0 274.393 2.105 10 0 CEAERO CC[C@H]1CN(C[C@@H]2Cc3ccccc3S2)CC[NH2+]1 ZINC000092272622 180356542 /nfs/dbraw/zinc/35/65/42/180356542.db2.gz PXHNSKIYRQIGLX-KBPBESRZSA-N 1 0 262.422 2.387 10 0 CEAERO CC(C)[C@@H]1CN(C[C@@H]2COc3ccccc32)[C@@H](C)C[NH2+]1 ZINC000092307246 180360478 /nfs/dbraw/zinc/36/04/78/180360478.db2.gz UHNBYTVIASFPHB-LZWOXQAQSA-N 1 0 274.408 2.481 10 0 CEAERO CC[C@H](C)NC(=O)CC[NH2+]C[C@H]1COc2ccccc21 ZINC000092299819 180358469 /nfs/dbraw/zinc/35/84/69/180358469.db2.gz XSKUTMYYKRJTEP-STQMWFEESA-N 1 0 276.380 2.057 10 0 CEAERO CCN(CC[NH2+]C(C)C)C[C@H]1COc2ccccc21 ZINC000092302568 180359470 /nfs/dbraw/zinc/35/94/70/180359470.db2.gz GKMCLSWCEMVSFT-AWEZNQCLSA-N 1 0 262.397 2.483 10 0 CEAERO Cc1cccc(Cc2noc([C@H]3C=C[C@H]([NH3+])C3)n2)c1 ZINC000092181619 180338951 /nfs/dbraw/zinc/33/89/51/180338951.db2.gz DARWXHFREULPHN-STQMWFEESA-N 1 0 255.321 2.340 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](c2nc(Cc3ccccc3F)no2)C1 ZINC000092181565 180338952 /nfs/dbraw/zinc/33/89/52/180338952.db2.gz OPXXGSFXNDMLGG-WDEREUQCSA-N 1 0 259.284 2.170 10 0 CEAERO COc1cccc(Cc2noc([C@H]3C=C[C@@H]([NH3+])C3)n2)c1 ZINC000092181533 180338958 /nfs/dbraw/zinc/33/89/58/180338958.db2.gz SRFFHGNTKOATCB-NWDGAFQWSA-N 1 0 271.320 2.040 10 0 CEAERO CC[NH2+][C@@H](CN1C(=O)C[C@H](C)C1=O)c1ccccc1C ZINC000105832567 186077067 /nfs/dbraw/zinc/07/70/67/186077067.db2.gz NVSWKBYQPQCPOT-JSGCOSHPSA-N 1 0 274.364 2.041 10 0 CEAERO CC[C@H](C)[C@@H]1CN(C[C@@H]2COc3ccccc32)CC[NH2+]1 ZINC000092307242 180360020 /nfs/dbraw/zinc/36/00/20/180360020.db2.gz RBHWQFISGOKXGZ-LZWOXQAQSA-N 1 0 274.408 2.483 10 0 CEAERO CN(c1cccnn1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000105910320 186089646 /nfs/dbraw/zinc/08/96/46/186089646.db2.gz SEEABMHVIXPEOL-UHFFFAOYSA-N 1 0 297.406 2.015 10 0 CEAERO CCOC(=O)CC[N@@H+]1CCC[C@@H](n2ccnc2CC)C1 ZINC000105922631 186090534 /nfs/dbraw/zinc/09/05/34/186090534.db2.gz OQIGOSYRNIXKIB-CYBMUJFWSA-N 1 0 279.384 2.036 10 0 CEAERO CCc1nc(CN(C)C)nc(CC)c1CC[NH2+]CC(C)C ZINC000092318961 180361771 /nfs/dbraw/zinc/36/17/71/180361771.db2.gz VUHFYADYSCOFAG-UHFFFAOYSA-N 1 0 292.471 2.451 10 0 CEAERO CC(C)OCCC[NH+]1CCC(Cn2cccn2)CC1 ZINC000105920083 186091144 /nfs/dbraw/zinc/09/11/44/186091144.db2.gz WVIYPIBKEXHBCZ-UHFFFAOYSA-N 1 0 265.401 2.410 10 0 CEAERO CCc1nc([C@@H]2CCCOC2)nc(CC)c1CC[NH2+]C ZINC000092318411 180361908 /nfs/dbraw/zinc/36/19/08/180361908.db2.gz FCWDWQMAQIFYLJ-GFCCVEGCSA-N 1 0 277.412 2.257 10 0 CEAERO Cc1nn(-c2ncccn2)c(C)c1C[C@H](C)C[NH2+]C(C)C ZINC000092321531 180362229 /nfs/dbraw/zinc/36/22/29/180362229.db2.gz VMEJXVLXYXOIQG-LBPRGKRZSA-N 1 0 287.411 2.456 10 0 CEAERO Cc1ccc(CNC(=O)C[NH2+]C(C)(C)C)cc1F ZINC000105996050 186097137 /nfs/dbraw/zinc/09/71/37/186097137.db2.gz WHTFSSSIZDSIQH-UHFFFAOYSA-N 1 0 252.333 2.138 10 0 CEAERO Cc1noc(C)c1CN[C@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000092329166 180363869 /nfs/dbraw/zinc/36/38/69/180363869.db2.gz HSUJNHRUUBKXNO-ZWNOBZJWSA-N 1 0 251.374 2.111 10 0 CEAERO CC[C@]1(C)CN(Cc2c(C)noc2C)CCC[NH2+]1 ZINC000092342891 180366402 /nfs/dbraw/zinc/36/64/02/180366402.db2.gz LMPPVXPZSUYHIL-CQSZACIVSA-N 1 0 251.374 2.255 10 0 CEAERO Cc1cc(Cn2cc(C(C)(C)[NH3+])nn2)c2ccccc2n1 ZINC000092364615 180368154 /nfs/dbraw/zinc/36/81/54/180368154.db2.gz YMRMZCPSTPVPIG-UHFFFAOYSA-N 1 0 281.363 2.377 10 0 CEAERO CCNc1cccc(CN2CC[NH+]([C@@H](C)CC)CC2)n1 ZINC000092370241 180369890 /nfs/dbraw/zinc/36/98/90/180369890.db2.gz PWCDJVIGWDJWCP-AWEZNQCLSA-N 1 0 276.428 2.430 10 0 CEAERO CNc1cccc(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)n1 ZINC000092370997 180370040 /nfs/dbraw/zinc/37/00/40/180370040.db2.gz NKCKLGGRQTVZTR-PHIMTYICSA-N 1 0 251.399 2.449 10 0 CEAERO CCNc1cccc(CN2CC[NH+](C(C)C)CC2)n1 ZINC000092368445 180370178 /nfs/dbraw/zinc/37/01/78/180370178.db2.gz ORLBNTOVVPQOMW-UHFFFAOYSA-N 1 0 262.401 2.039 10 0 CEAERO C[C@@H](NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)C1CC1 ZINC000106429880 186116996 /nfs/dbraw/zinc/11/69/96/186116996.db2.gz QNICIYPLARGYKH-IUODEOHRSA-N 1 0 260.381 2.074 10 0 CEAERO CCc1nc(N2CCCCCC2)nc(CC)c1CC[NH3+] ZINC000092308351 180360986 /nfs/dbraw/zinc/36/09/86/180360986.db2.gz FAFIBFJULFJGPD-UHFFFAOYSA-N 1 0 276.428 2.483 10 0 CEAERO COc1ccc2c(c1)[C@](CCO)(C(C)(C)[NH3+])CCC2 ZINC000092390662 180375499 /nfs/dbraw/zinc/37/54/99/180375499.db2.gz UCCLSPJAFJKKJJ-INIZCTEOSA-N 1 0 263.381 2.389 10 0 CEAERO CC(C)c1ccc([C@H](O)C[NH2+][C@H](CO)C(C)C)cc1 ZINC000092400394 180377699 /nfs/dbraw/zinc/37/76/99/180377699.db2.gz WTVUQHWFASVNCZ-HZPDHXFCSA-N 1 0 265.397 2.450 10 0 CEAERO CCc1nn(C)cc1C[NH2+][C@@H]1CCCC[C@@H]1OC ZINC000092409420 180380143 /nfs/dbraw/zinc/38/01/43/180380143.db2.gz REAXXQAOPIOVEF-KGLIPLIRSA-N 1 0 251.374 2.030 10 0 CEAERO C[C@@H]1CCC[C@H](C[NH3+])N1Cc1cc(Cl)ccn1 ZINC000092417239 180381148 /nfs/dbraw/zinc/38/11/48/180381148.db2.gz VYGSSLZEIOTWIW-ZWNOBZJWSA-N 1 0 253.777 2.437 10 0 CEAERO CN(CC1CC1)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106908747 186149940 /nfs/dbraw/zinc/14/99/40/186149940.db2.gz DMGCCEBDAYJSKB-HNNXBMFYSA-N 1 0 260.381 2.028 10 0 CEAERO CCn1c(C)[nH+]c(-c2ccc(OC)c(OC)c2OC)c1N ZINC000106831028 186138410 /nfs/dbraw/zinc/13/84/10/186138410.db2.gz BJPXIJAAOTZVFV-UHFFFAOYSA-N 1 0 291.351 2.486 10 0 CEAERO COc1ccc2c(c1)[C@@H]([NH2+]CCCc1nnc[nH]1)CCC2 ZINC000092384197 180373382 /nfs/dbraw/zinc/37/33/82/180373382.db2.gz WIPXFRFDQRWXCB-HNNXBMFYSA-N 1 0 286.379 2.413 10 0 CEAERO COc1ccc2c(c1)[C@@](C[NH3+])(NCC(F)(F)F)CCC2 ZINC000092384847 180373722 /nfs/dbraw/zinc/37/37/22/180373722.db2.gz CRKBLLBJZVDDRA-CYBMUJFWSA-N 1 0 288.313 2.337 10 0 CEAERO C[NH2+][C@H]1c2cc(OC)ccc2CC[C@@H]1n1ccnc1 ZINC000092386051 180374003 /nfs/dbraw/zinc/37/40/03/180374003.db2.gz DOYRGZFOGRQMOV-GJZGRUSLSA-N 1 0 257.337 2.340 10 0 CEAERO C[NH2+]CCC(=O)Nc1ccc(OC)c(C(C)C)c1 ZINC000107294629 186168586 /nfs/dbraw/zinc/16/85/86/186168586.db2.gz VJSRNPMTBDJVFW-UHFFFAOYSA-N 1 0 250.342 2.367 10 0 CEAERO Cc1cccc(Cn2cc(C[NH3+])c3cccnc32)n1 ZINC000092431587 180384344 /nfs/dbraw/zinc/38/43/44/180384344.db2.gz ZOQYSZQIYSQPEB-UHFFFAOYSA-N 1 0 252.321 2.247 10 0 CEAERO COc1ccc(N(C)C(=O)C[NH2+]C(C)(C)C)cc1 ZINC000092461103 180390211 /nfs/dbraw/zinc/39/02/11/180390211.db2.gz LTTDMKJATWUVBX-UHFFFAOYSA-N 1 0 250.342 2.046 10 0 CEAERO [NH3+][C@H]1CCc2nnc(-c3ccc(C(F)(F)F)cc3)n2C1 ZINC000107820633 186192309 /nfs/dbraw/zinc/19/23/09/186192309.db2.gz DTSSGKKCLDGDHF-JTQLQIEISA-N 1 0 282.269 2.237 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)C[C@@H]1CCCOC1 ZINC000107835481 186194001 /nfs/dbraw/zinc/19/40/01/186194001.db2.gz DNEBPAJSTRXUCD-LSDHHAIUSA-N 1 0 299.459 2.031 10 0 CEAERO COCC[NH2+]CC(=O)Nc1cc(Cl)cc2cccnc21 ZINC000092495298 180396615 /nfs/dbraw/zinc/39/66/15/180396615.db2.gz ALQVEYCHBPRMIW-UHFFFAOYSA-N 1 0 293.754 2.063 10 0 CEAERO CCCC[C@@H](C[NH3+])Nc1ncccc1C(=O)OCC ZINC000130523262 365964929 /nfs/dbraw/zinc/96/49/29/365964929.db2.gz XDENMHLLRXECSW-NSHDSACASA-N 1 0 265.357 2.188 10 0 CEAERO Cc1ccc([C@H](C)[NH2+]CC(C)(C)NS(C)(=O)=O)s1 ZINC000109041631 186240814 /nfs/dbraw/zinc/24/08/14/186240814.db2.gz FQPHQKBAURLRFA-JTQLQIEISA-N 1 0 290.454 2.035 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000109124077 186244535 /nfs/dbraw/zinc/24/45/35/186244535.db2.gz CYEMSWYASTYWFO-JHJVBQTASA-N 1 0 294.345 2.231 10 0 CEAERO C[NH2+][C@@H](COC)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000109502142 186257219 /nfs/dbraw/zinc/25/72/19/186257219.db2.gz NZXHMIPMCVGCSW-LLVKDONJSA-N 1 0 281.743 2.167 10 0 CEAERO C[NH2+][C@H](C)CCc1nc(-c2ccccc2OC)no1 ZINC000109503831 186257337 /nfs/dbraw/zinc/25/73/37/186257337.db2.gz NUBDDGLEMMLONS-SNVBAGLBSA-N 1 0 261.325 2.286 10 0 CEAERO CCOc1cccc(-c2noc(C[C@@H]([NH3+])C3CC3)n2)c1 ZINC000109502862 186257396 /nfs/dbraw/zinc/25/73/96/186257396.db2.gz PKGRUBRMWFZRTM-CYBMUJFWSA-N 1 0 273.336 2.415 10 0 CEAERO CCOc1cccc(-c2noc(C[C@H]([NH3+])CC)n2)c1 ZINC000109502811 186257440 /nfs/dbraw/zinc/25/74/40/186257440.db2.gz IOGMTOJWSBEZPH-LLVKDONJSA-N 1 0 261.325 2.415 10 0 CEAERO CC[NH2+][C@H](C)[C@@H](CC)c1nc(-c2cnccn2)no1 ZINC000109507104 186257509 /nfs/dbraw/zinc/25/75/09/186257509.db2.gz ONQCSBRDJKYZPX-NXEZZACHSA-N 1 0 261.329 2.018 10 0 CEAERO C[NH2+][C@@H]1CCCC[C@@H]1c1nc(Cc2ccccn2)no1 ZINC000109499708 186257646 /nfs/dbraw/zinc/25/76/46/186257646.db2.gz CLOYWASRGXKLQF-QWHCGFSZSA-N 1 0 272.352 2.301 10 0 CEAERO COc1cccc(Cc2noc([C@H]3CCC[C@@H]3[NH3+])n2)c1 ZINC000109513081 186257968 /nfs/dbraw/zinc/25/79/68/186257968.db2.gz CEELWUQKEJVXQW-STQMWFEESA-N 1 0 273.336 2.264 10 0 CEAERO Cc1csc(Cc2noc([C@@H]3CCC[C@H]3[NH3+])n2)n1 ZINC000109510910 186258311 /nfs/dbraw/zinc/25/83/11/186258311.db2.gz WYRLKOCELVUJRP-RKDXNWHRSA-N 1 0 264.354 2.020 10 0 CEAERO CC[NH2+][C@H]1CCCCC[C@@H]1c1nc(COC)no1 ZINC000109518843 186259348 /nfs/dbraw/zinc/25/93/48/186259348.db2.gz CFJCLCGCEJCFHX-QWRGUYRKSA-N 1 0 253.346 2.242 10 0 CEAERO CCNC(=O)c1ccc(N)c(N[C@@H](C)C[NH+](CC)CC)c1 ZINC000109537976 186260542 /nfs/dbraw/zinc/26/05/42/186260542.db2.gz ALQQRZGWGADOAA-LBPRGKRZSA-N 1 0 292.427 2.161 10 0 CEAERO [NH3+]Cc1ccc(CNc2ncnc3c2CCC3)c(F)c1 ZINC000109540669 186260890 /nfs/dbraw/zinc/26/08/90/186260890.db2.gz RLTQYGDDIJEMDN-UHFFFAOYSA-N 1 0 272.327 2.175 10 0 CEAERO C[NH2+][C@@H]1CCN(Cc2ccc(OC)cc2OC)[C@@H](C)C1 ZINC000109554384 186262491 /nfs/dbraw/zinc/26/24/91/186262491.db2.gz PRAPIVDDJUXFOL-GXTWGEPZSA-N 1 0 278.396 2.276 10 0 CEAERO CCC[NH2+][C@H]1C(=O)Nc2cc(OC3CCOCC3)ccc21 ZINC000109576430 186263778 /nfs/dbraw/zinc/26/37/78/186263778.db2.gz RFWSWOWADUFYKJ-OAHLLOKOSA-N 1 0 290.363 2.237 10 0 CEAERO CCCN(CC[NH+](C)C)Cc1c(N)cccc1F ZINC000109427728 186251679 /nfs/dbraw/zinc/25/16/79/186251679.db2.gz QBOPNAYPKCXFAF-UHFFFAOYSA-N 1 0 253.365 2.182 10 0 CEAERO Cn1cnnc1CC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000109420807 186251726 /nfs/dbraw/zinc/25/17/26/186251726.db2.gz NOTRMDMKMUNPKT-UHFFFAOYSA-N 1 0 272.396 2.445 10 0 CEAERO CSc1ccc([C@@H](C)[NH2+]CCc2nncn2C)cc1 ZINC000109421391 186251817 /nfs/dbraw/zinc/25/18/17/186251817.db2.gz QZKATQHBYMCJOF-LLVKDONJSA-N 1 0 276.409 2.430 10 0 CEAERO CC[C@H](C(N)=S)[NH+]1CCN(Cc2ccc(C)cc2)CC1 ZINC000109469792 186253821 /nfs/dbraw/zinc/25/38/21/186253821.db2.gz XSMJQNCHTRJCCQ-OAHLLOKOSA-N 1 0 291.464 2.177 10 0 CEAERO CCC[C@H](C(N)=S)[NH+]1CCN(C(=O)CCC(C)C)CC1 ZINC000109464268 186254362 /nfs/dbraw/zinc/25/43/62/186254362.db2.gz FDVJYKUFUQUSAP-CYBMUJFWSA-N 1 0 299.484 2.022 10 0 CEAERO CC[NH+](CC)CCc1noc(CC(=O)C(C)(C)C)n1 ZINC000109477873 186254724 /nfs/dbraw/zinc/25/47/24/186254724.db2.gz PWXHICXUMIPFNP-UHFFFAOYSA-N 1 0 267.373 2.112 10 0 CEAERO Cc1ccc(-c2nc([C@H](C)N3CC[NH2+]CC3)no2)cc1F ZINC000109474016 186254850 /nfs/dbraw/zinc/25/48/50/186254850.db2.gz RJYOEPBSBUSDRK-NSHDSACASA-N 1 0 290.342 2.150 10 0 CEAERO CC[C@@H](c1noc(-c2ccc(F)cc2)n1)N1CC[NH2+]CC1 ZINC000109474564 186254913 /nfs/dbraw/zinc/25/49/13/186254913.db2.gz MIOHIQLIFAQEAG-ZDUSSCGKSA-N 1 0 290.342 2.232 10 0 CEAERO CC(C)(c1nc(-c2cccnc2)cs1)N1CC[NH2+]CC1 ZINC000109472930 186255085 /nfs/dbraw/zinc/25/50/85/186255085.db2.gz CNIMUPMTEYYZRF-UHFFFAOYSA-N 1 0 288.420 2.345 10 0 CEAERO CCc1c(C)nc([C@H](CC)N2CC[NH2+]CC2)nc1C ZINC000109475928 186255123 /nfs/dbraw/zinc/25/51/23/186255123.db2.gz AMYDSWISVKSHBB-AWEZNQCLSA-N 1 0 262.401 2.012 10 0 CEAERO Cc1nc(N2CC[C@H]([NH+]3CCCCC3)C2)sc1C=O ZINC000110272250 186289883 /nfs/dbraw/zinc/28/98/83/186289883.db2.gz RSQQSKDFTMKJGZ-LBPRGKRZSA-N 1 0 279.409 2.329 10 0 CEAERO Cc1cccc(-c2noc([C@H]3CCC[C@@H]([NH3+])C3)n2)n1 ZINC000110473362 186297955 /nfs/dbraw/zinc/29/79/55/186297955.db2.gz MQMPCQWZSHCYKK-WDEREUQCSA-N 1 0 258.325 2.425 10 0 CEAERO CCOc1ccccc1[C@@H](CO[C@@H]1CCOC1)[NH2+]C ZINC000110526739 186300708 /nfs/dbraw/zinc/30/07/08/186300708.db2.gz FFHFUIVWSZWVAW-TZMCWYRMSA-N 1 0 265.353 2.151 10 0 CEAERO CCOc1ccccc1[C@@H](CO[C@H]1CCOC1)[NH2+]C ZINC000110526745 186301340 /nfs/dbraw/zinc/30/13/40/186301340.db2.gz FFHFUIVWSZWVAW-GXTWGEPZSA-N 1 0 265.353 2.151 10 0 CEAERO CCCOc1cc(NCC[N@H+](C)CCOC)c(N)cc1F ZINC000110641187 186307959 /nfs/dbraw/zinc/30/79/59/186307959.db2.gz OJPVDOMTGQBSGD-UHFFFAOYSA-N 1 0 299.390 2.187 10 0 CEAERO NC(=O)c1ccc(NCC[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000110793514 186325205 /nfs/dbraw/zinc/32/52/05/186325205.db2.gz NCADQOOMTRMFMF-JTQLQIEISA-N 1 0 281.787 2.241 10 0 CEAERO C[C@H]([NH2+]CCN1CCC[C@@H](C)CC1)[C@@H]1CCCO1 ZINC000110813727 186326449 /nfs/dbraw/zinc/32/64/49/186326449.db2.gz YCADZOQJYVAGHY-ILXRZTDVSA-N 1 0 254.418 2.266 10 0 CEAERO CCC1(C(=O)N2CCC[C@H](C)CC2)CC[NH2+]CC1 ZINC000110814607 186326850 /nfs/dbraw/zinc/32/68/50/186326850.db2.gz RWSFQFJKVSRGOZ-ZDUSSCGKSA-N 1 0 252.402 2.415 10 0 CEAERO C[N@@H+](CC(=O)Nc1ccccc1N)CC1CCCC1 ZINC000110833253 186328492 /nfs/dbraw/zinc/32/84/92/186328492.db2.gz IPCJVEMCQRMQPS-UHFFFAOYSA-N 1 0 261.369 2.329 10 0 CEAERO C[C@H](Cc1cccs1)NC(=O)C[NH2+]C(C)(C)C ZINC000110839228 186328841 /nfs/dbraw/zinc/32/88/41/186328841.db2.gz NQUGSQSJLILLLE-SNVBAGLBSA-N 1 0 254.399 2.183 10 0 CEAERO COc1cc(Cl)ccc1C(=O)N(C)[C@@H]1CCC[NH2+]C1 ZINC000110927035 186333620 /nfs/dbraw/zinc/33/36/20/186333620.db2.gz NSKWFFHFZBQJHW-LLVKDONJSA-N 1 0 282.771 2.173 10 0 CEAERO c1ccc(-c2nn[nH]c2C[NH2+]C[C@H]2CCCCO2)cc1 ZINC000110925207 186333691 /nfs/dbraw/zinc/33/36/91/186333691.db2.gz FWQXPDHNLFSAPZ-CYBMUJFWSA-N 1 0 272.352 2.130 10 0 CEAERO Cc1ccc(-c2noc(CN(C)[C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000110931498 186333850 /nfs/dbraw/zinc/33/38/50/186333850.db2.gz QUMHDBUUJFDOSC-CQSZACIVSA-N 1 0 286.379 2.229 10 0 CEAERO CCCN(Cc1ccc2c(c1)OCCO2)[C@@H]1CCC[NH2+]C1 ZINC000110938393 186334527 /nfs/dbraw/zinc/33/45/27/186334527.db2.gz XQVJNQFAGMGNGI-OAHLLOKOSA-N 1 0 290.407 2.422 10 0 CEAERO CCN(CC(=O)Nc1ccc(C)cc1C)[C@H]1CCC[NH2+]C1 ZINC000110942739 186334858 /nfs/dbraw/zinc/33/48/58/186334858.db2.gz MLAWKECEHUMGGN-HNNXBMFYSA-N 1 0 289.423 2.316 10 0 CEAERO CCCN(c1ccc(C(N)=O)c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000110948148 186335671 /nfs/dbraw/zinc/33/56/71/186335671.db2.gz PHHHIYWAEGVQDQ-GFCCVEGCSA-N 1 0 295.814 2.407 10 0 CEAERO CCN(CCOc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC000110944269 186335933 /nfs/dbraw/zinc/33/59/33/186335933.db2.gz UBRGTLGZIKGNCB-AWEZNQCLSA-N 1 0 266.360 2.278 10 0 CEAERO CCCN(Cc1ccoc1C(=O)OC)[C@@H]1CCC[NH2+]C1 ZINC000110945844 186336037 /nfs/dbraw/zinc/33/60/37/186336037.db2.gz BOJBUHIZXOFGED-CYBMUJFWSA-N 1 0 280.368 2.030 10 0 CEAERO Cc1ccc([C@@H](C)[NH3+])c(OCC(=O)N(C)C(C)C)c1 ZINC000110958177 186336805 /nfs/dbraw/zinc/33/68/05/186336805.db2.gz MERKJZBEBKVKEO-GFCCVEGCSA-N 1 0 264.369 2.260 10 0 CEAERO C[NH2+][C@@H](C)[C@H](C)c1nc(Cc2nc3ccccc3[nH]2)no1 ZINC000110951488 186337012 /nfs/dbraw/zinc/33/70/12/186337012.db2.gz ZQTZJDXTWPICKW-UWVGGRQHSA-N 1 0 285.351 2.248 10 0 CEAERO NC(=[NH2+])c1cc(F)ccc1COc1ccccc1CO ZINC000110993803 186340896 /nfs/dbraw/zinc/34/08/96/186340896.db2.gz LDZHBUQIFCWGEP-UHFFFAOYSA-N 1 0 274.295 2.181 10 0 CEAERO CC[N@@H+]1CCN(Cc2ccc(N)cc2Cl)C[C@@H]1C ZINC000110703203 186313853 /nfs/dbraw/zinc/31/38/53/186313853.db2.gz YYEIHYDSFHHSME-NSHDSACASA-N 1 0 267.804 2.448 10 0 CEAERO Cc1ccc(C)c(NC(=O)c2ccnc(C[NH3+])c2)c1 ZINC000129929145 187460764 /nfs/dbraw/zinc/46/07/64/187460764.db2.gz SZSOZRLAHGLXHD-UHFFFAOYSA-N 1 0 255.321 2.409 10 0 CEAERO CN1CC[N@@H+]([C@@H]2CCc3ccccc3[C@@H]2O)CC1(C)C ZINC000110736298 186317965 /nfs/dbraw/zinc/31/79/65/186317965.db2.gz WULVLADDKQUJDU-CVEARBPZSA-N 1 0 274.408 2.061 10 0 CEAERO CC[C@H]1CN(CC(=O)c2cc(C)n(CC)c2C)CC[N@@H+]1C ZINC000110729097 186318096 /nfs/dbraw/zinc/31/80/96/186318096.db2.gz SENZTTFCETWSCJ-HNNXBMFYSA-N 1 0 291.439 2.334 10 0 CEAERO CCCNc1cc(CN2CC[N@H+](C)C(C)(C)C2)ccn1 ZINC000110743250 186319290 /nfs/dbraw/zinc/31/92/90/186319290.db2.gz BHZIXRWASZBDLM-UHFFFAOYSA-N 1 0 276.428 2.430 10 0 CEAERO CC[C@@H]1C[N@H+](C[C@@H]2CCCCCC2=O)CCN1C ZINC000110743974 186319372 /nfs/dbraw/zinc/31/93/72/186319372.db2.gz UADGDJUYZNIHGC-UONOGXRCSA-N 1 0 252.402 2.162 10 0 CEAERO Cc1ccc([C@@H](O)CC[N@H+]2CCN(C)C(C)(C)C2)cc1 ZINC000110748311 186320849 /nfs/dbraw/zinc/32/08/49/186320849.db2.gz KFBYXHDRLBBPOL-INIZCTEOSA-N 1 0 276.424 2.445 10 0 CEAERO CCOC(CC[N@H+](CC)C[C@H]1CCCO1)OCC ZINC000110785206 186324132 /nfs/dbraw/zinc/32/41/32/186324132.db2.gz SKPKCJHPGBWQKY-CYBMUJFWSA-N 1 0 259.390 2.277 10 0 CEAERO Cc1cc2c(ncnc2N(C)[C@@H](C)CC[NH3+])s1 ZINC000110779079 186324245 /nfs/dbraw/zinc/32/42/45/186324245.db2.gz WZQMQAJSOOOEDT-QMMMGPOBSA-N 1 0 250.371 2.173 10 0 CEAERO CCc1ccc(C(=O)NCC[C@@H]2CCC[NH2+]C2)s1 ZINC000110791327 186324544 /nfs/dbraw/zinc/32/45/44/186324544.db2.gz LLMMDDBNEZQXEX-NSHDSACASA-N 1 0 266.410 2.430 10 0 CEAERO CCCCC[C@H](C)[NH2+]CCSCCS(C)(=O)=O ZINC000111007444 186342085 /nfs/dbraw/zinc/34/20/85/186342085.db2.gz YJMUKXHMZMFBBM-LBPRGKRZSA-N 1 0 281.487 2.323 10 0 CEAERO O=C1CC[C@@H]([NH2+][C@H](c2ccccc2)c2ccncc2)CN1 ZINC000111017370 186343834 /nfs/dbraw/zinc/34/38/34/186343834.db2.gz XRIGYJFGHYSLLW-NVXWUHKLSA-N 1 0 281.359 2.039 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCC(=O)NC1)c1nc2ccccc2s1 ZINC000111015744 186344457 /nfs/dbraw/zinc/34/44/57/186344457.db2.gz YCWPXEBLWDCVSK-VHSXEESVSA-N 1 0 275.377 2.226 10 0 CEAERO CC[C@@H]1COCCN1[C@@H](C[NH3+])c1cccc(F)c1F ZINC000111039328 186347069 /nfs/dbraw/zinc/34/70/69/186347069.db2.gz ZZHCYDJBWSZKTF-MFKMUULPSA-N 1 0 270.323 2.075 10 0 CEAERO Cc1nnc(Sc2ccc(F)cc2C(N)=[NH2+])s1 ZINC000111035625 186347316 /nfs/dbraw/zinc/34/73/16/186347316.db2.gz AACXOLLCXNLGNV-UHFFFAOYSA-N 1 0 268.342 2.421 10 0 CEAERO CCCNc1c(F)cc(C(=O)N(C)CC[NH+](C)C)cc1F ZINC000111151632 186361079 /nfs/dbraw/zinc/36/10/79/186361079.db2.gz IKIUVALPBSZYNM-UHFFFAOYSA-N 1 0 299.365 2.420 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1ccsc1)N(C)CC1CCOCC1 ZINC000111156467 186362136 /nfs/dbraw/zinc/36/21/36/186362136.db2.gz OSJBLKZSPIDPPF-FZMZJTMJSA-N 1 0 268.426 2.495 10 0 CEAERO CCc1ccc([C@H](C[NH3+])N(C)CC2CCOCC2)o1 ZINC000111159998 186362309 /nfs/dbraw/zinc/36/23/09/186362309.db2.gz IOLSUZJGISRIEF-AWEZNQCLSA-N 1 0 266.385 2.200 10 0 CEAERO CCOc1cccc([C@H](C[NH3+])N(C)C[C@@H]2CCCOC2)c1 ZINC000111157588 186362798 /nfs/dbraw/zinc/36/27/98/186362798.db2.gz ZQZRALGLAOZOMX-YOEHRIQHSA-N 1 0 292.423 2.444 10 0 CEAERO Cc1ccc([C@H](CN)[N@H+](C)CC2CCOCC2)cc1F ZINC000111159769 186363166 /nfs/dbraw/zinc/36/31/66/186363166.db2.gz DYDSWSAHFXDFTI-INIZCTEOSA-N 1 0 280.387 2.492 10 0 CEAERO CC[NH2+]Cc1ccccc1NS(=O)(=O)C(C)(C)C ZINC000111072837 186350537 /nfs/dbraw/zinc/35/05/37/186350537.db2.gz DBUZTHYGFWYCTJ-UHFFFAOYSA-N 1 0 270.398 2.336 10 0 CEAERO Cc1ccccc1N(CCC[NH3+])S(=O)(=O)C(C)(C)C ZINC000111071234 186350825 /nfs/dbraw/zinc/35/08/25/186350825.db2.gz AJDCMJIGHFJNJR-UHFFFAOYSA-N 1 0 284.425 2.279 10 0 CEAERO CCCOCCO[C@@H]1CCc2cc(OC)ccc2[C@@H]1[NH3+] ZINC000111107323 186352327 /nfs/dbraw/zinc/35/23/27/186352327.db2.gz MHKYYMZSHUYPKX-CVEARBPZSA-N 1 0 279.380 2.453 10 0 CEAERO CCCOCCOCCOc1ccc(CC[NH3+])cc1 ZINC000111106472 186352790 /nfs/dbraw/zinc/35/27/90/186352790.db2.gz UGRVOYPXXFOQQU-UHFFFAOYSA-N 1 0 267.369 2.010 10 0 CEAERO CCOCC[N@H+](CC)CCC(=O)Nc1cccc(N)c1C ZINC000111116783 186353512 /nfs/dbraw/zinc/35/35/12/186353512.db2.gz IBGWOZTXXBDYPX-UHFFFAOYSA-N 1 0 293.411 2.264 10 0 CEAERO CCOCCN(CC)[C@@H](C[NH3+])c1ccc(OC)cc1OC ZINC000111117691 186354416 /nfs/dbraw/zinc/35/44/16/186354416.db2.gz ZODMZVQBIOAQCA-HNNXBMFYSA-N 1 0 296.411 2.062 10 0 CEAERO CCOCCN(CC)c1c(C[NH2+]CC(C)C)c(C)nn1C ZINC000111120692 186354984 /nfs/dbraw/zinc/35/49/84/186354984.db2.gz PGZAIPRCDUKRCF-UHFFFAOYSA-N 1 0 296.459 2.337 10 0 CEAERO CN(CC[NH+](C)C)c1ccc(N)c(C(F)(F)F)c1 ZINC000111131868 186356274 /nfs/dbraw/zinc/35/62/74/186356274.db2.gz GJBZYZNNLOJRDS-UHFFFAOYSA-N 1 0 261.291 2.285 10 0 CEAERO COc1ccc(C(=O)CN(C)CC[NH+](C)C)cc1Cl ZINC000111139821 186357076 /nfs/dbraw/zinc/35/70/76/186357076.db2.gz JXZVHYQSEGAWHI-UHFFFAOYSA-N 1 0 284.787 2.025 10 0 CEAERO CCOc1ccc([C@@H](C)O)cc1CN(C)CC[NH+](C)C ZINC000111143135 186358764 /nfs/dbraw/zinc/35/87/64/186358764.db2.gz ZGWBUDLSTJLKKG-CYBMUJFWSA-N 1 0 280.412 2.132 10 0 CEAERO Cc1cc(C)c([C@H](O)CN(C)CC[NH+](C)C)c(C)c1 ZINC000111143424 186359255 /nfs/dbraw/zinc/35/92/55/186359255.db2.gz YEENIKOLAIKSRF-OAHLLOKOSA-N 1 0 264.413 2.139 10 0 CEAERO C[NH2+]CCCc1nnc([C@H]2CCOc3ccccc32)o1 ZINC000111189569 186367824 /nfs/dbraw/zinc/36/78/24/186367824.db2.gz RJCJZBDIJHPQLD-LBPRGKRZSA-N 1 0 273.336 2.136 10 0 CEAERO C[NH2+]Cc1cc(F)ccc1N(C)CC1CCOCC1 ZINC000111167258 186363745 /nfs/dbraw/zinc/36/37/45/186363745.db2.gz LYRAQPJUIOEQRF-UHFFFAOYSA-N 1 0 266.360 2.408 10 0 CEAERO C[N@H+](CC1CCOCC1)[C@@H]1CCCCCC[C@@H]1N ZINC000111161613 186363814 /nfs/dbraw/zinc/36/38/14/186363814.db2.gz ADHFUVFLTPZFRI-LSDHHAIUSA-N 1 0 254.418 2.395 10 0 CEAERO CN(CC1CCOCC1)c1ccc(C(N)=[NH2+])cc1Cl ZINC000111164087 186363978 /nfs/dbraw/zinc/36/39/78/186363978.db2.gz MDNXGQSJEWGFAQ-UHFFFAOYSA-N 1 0 281.787 2.487 10 0 CEAERO C[NH2+][C@H](CN(C)CC1CCOCC1)c1ccccc1 ZINC000111162064 186364131 /nfs/dbraw/zinc/36/41/31/186364131.db2.gz SSPPHPQGWSVFKF-MRXNPFEDSA-N 1 0 262.397 2.306 10 0 CEAERO C[N@H+](C[C@H]1CCCOC1)C[C@@H]1Cc2ccccc2CN1 ZINC000111179140 186366757 /nfs/dbraw/zinc/36/67/57/186366757.db2.gz VINIVRLEQNASQW-PBHICJAKSA-N 1 0 274.408 2.059 10 0 CEAERO CC[C@H]([NH3+])CN1C(=O)c2cccc3cccc(c32)C1=O ZINC000111304846 186394153 /nfs/dbraw/zinc/39/41/53/186394153.db2.gz HRIVDZSMVMRSBM-NSHDSACASA-N 1 0 268.316 2.173 10 0 CEAERO O=C1CCCN1c1ccc(C[NH2+]C[C@@H]2CCCOC2)cc1 ZINC000111317921 186395385 /nfs/dbraw/zinc/39/53/85/186395385.db2.gz OTVUCKFDQZCQJN-HNNXBMFYSA-N 1 0 288.391 2.330 10 0 CEAERO CC(C)CC[N@H+](CC1(CO)CCOCC1)C1CC1 ZINC000111318130 186395439 /nfs/dbraw/zinc/39/54/39/186395439.db2.gz CGLNETMYECMLME-UHFFFAOYSA-N 1 0 255.402 2.286 10 0 CEAERO CN(C)c1nnc(S[C@@H]2CCCC[C@H]2C[NH3+])s1 ZINC000111316277 186396413 /nfs/dbraw/zinc/39/64/13/186396413.db2.gz NCYXCFCXHTVRMO-DTWKUNHWSA-N 1 0 272.443 2.214 10 0 CEAERO CCC1(C)CC[NH+]([C@@H](CN)[C@H]2CCCOC2)CC1 ZINC000111321259 186396991 /nfs/dbraw/zinc/39/69/91/186396991.db2.gz DJRHYUJSQFWNFA-KBPBESRZSA-N 1 0 254.418 2.252 10 0 CEAERO CC(C)C[NH2+]C[C@@]1(CN2C[C@H](C)O[C@@H](C)C2)CCCOC1 ZINC000111323820 186397190 /nfs/dbraw/zinc/39/71/90/186397190.db2.gz OSWOBOOGRZOTLM-YESZJQIVSA-N 1 0 298.471 2.138 10 0 CEAERO CCC[NH2+]C[C@@]1(CN(C)CC(F)(F)F)CCCOC1 ZINC000111325923 186398323 /nfs/dbraw/zinc/39/83/23/186398323.db2.gz LDOZCGJEALXPLF-GFCCVEGCSA-N 1 0 282.350 2.277 10 0 CEAERO CC(C)(C)[NH2+]C[C@@]1(CN2CCOC(C)(C)C2)CCCOC1 ZINC000111325799 186399239 /nfs/dbraw/zinc/39/92/39/186399239.db2.gz ODUVDGQVQHXNGC-QGZVFWFLSA-N 1 0 298.471 2.282 10 0 CEAERO Cn1c(C[NH3+])nnc1SC[C@@H]1CCCc2ccccc21 ZINC000111343188 186403149 /nfs/dbraw/zinc/40/31/49/186403149.db2.gz CVRLUXPHZWADEU-LBPRGKRZSA-N 1 0 288.420 2.486 10 0 CEAERO CO[C@H]1CCC[C@@H]1[NH2+]Cc1nc2ccccc2n1C ZINC000111233997 186373102 /nfs/dbraw/zinc/37/31/02/186373102.db2.gz OSYHLJQRYQGCSD-JSGCOSHPSA-N 1 0 259.353 2.230 10 0 CEAERO Cc1cc2ncc(C[NH2+][C@@H](CC(C)C)CN(C)C)cn2n1 ZINC000111235311 186373218 /nfs/dbraw/zinc/37/32/18/186373218.db2.gz GFNIBBQKMMIOCX-HNNXBMFYSA-N 1 0 289.427 2.104 10 0 CEAERO C[C@@H](C[NH+]1CCCC1)NCc1nc2ccccc2n1C ZINC000111233935 186373361 /nfs/dbraw/zinc/37/33/61/186373361.db2.gz IEEXUPNLFKZRRG-ZDUSSCGKSA-N 1 0 272.396 2.147 10 0 CEAERO CCCOCc1noc([C@@H](CC)[C@@H](C)[NH2+]CC)n1 ZINC000111234914 186373678 /nfs/dbraw/zinc/37/36/78/186373678.db2.gz HSULCUCQWWHHID-MNOVXSKESA-N 1 0 255.362 2.488 10 0 CEAERO FC(F)(F)[C@]1(c2n[nH]c(C3CCCC3)n2)CC[NH2+]C1 ZINC000111241365 186374695 /nfs/dbraw/zinc/37/46/95/186374695.db2.gz NMOARXKXYYGGBX-LLVKDONJSA-N 1 0 274.290 2.256 10 0 CEAERO CCCC[C@H](C)NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111246863 186375626 /nfs/dbraw/zinc/37/56/26/186375626.db2.gz QCEBDDVKWWBGIX-GXSJLCMTSA-N 1 0 266.307 2.223 10 0 CEAERO Cc1ccc2nc(NC(=O)[C@H]3C[NH2+]C[C@@H]3C)sc2c1 ZINC000111262944 186380173 /nfs/dbraw/zinc/38/01/73/186380173.db2.gz XXQBONKUDDTLPR-UWVGGRQHSA-N 1 0 275.377 2.399 10 0 CEAERO CSc1cccc(NC(=O)[C@@H]2C[NH2+]C[C@@H]2C)c1 ZINC000111262750 186380352 /nfs/dbraw/zinc/38/03/52/186380352.db2.gz XIUGEOPTHQBGHG-JOYOIKCWSA-N 1 0 250.367 2.203 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(Cc1ccccc1)C1CC1 ZINC000111264077 186381496 /nfs/dbraw/zinc/38/14/96/186381496.db2.gz PVAOKIODJQKYKP-IUODEOHRSA-N 1 0 258.365 2.033 10 0 CEAERO CCN(Cc1ccccc1C)C(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000111264148 186381610 /nfs/dbraw/zinc/38/16/10/186381610.db2.gz ZYMPCEWZZVAOFX-DZGCQCFKSA-N 1 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/nfs/dbraw/zinc/38/76/80/186387680.db2.gz CNKVEDDVCADDIJ-OAHLLOKOSA-N 1 0 281.359 2.348 10 0 CEAERO CC[C@H](NC(=O)c1ccc(C[NH3+])cn1)c1ccccc1 ZINC000111282278 186387707 /nfs/dbraw/zinc/38/77/07/186387707.db2.gz APTHDBGXXJIMNH-AWEZNQCLSA-N 1 0 269.348 2.421 10 0 CEAERO Cc1nc(C[NH3+])sc1-c1nc2c(nccc2C)[nH]1 ZINC000111280125 186388354 /nfs/dbraw/zinc/38/83/54/186388354.db2.gz KZNZMCBUVGEPIG-UHFFFAOYSA-N 1 0 259.338 2.157 10 0 CEAERO CCN(Cc1ccccc1)C(=O)c1ccc(C[NH3+])cn1 ZINC000111281363 186388917 /nfs/dbraw/zinc/38/89/17/186388917.db2.gz PJFXZNJLKKGBBN-UHFFFAOYSA-N 1 0 269.348 2.203 10 0 CEAERO CCC1(C)CCN(C(=O)c2ccc(C[NH3+])cn2)CC1 ZINC000111282492 186390256 /nfs/dbraw/zinc/39/02/56/186390256.db2.gz UWVYHKRRLYCFTE-UHFFFAOYSA-N 1 0 261.369 2.193 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)c1ccc2cc[nH]c2c1 ZINC000111288943 186390616 /nfs/dbraw/zinc/39/06/16/186390616.db2.gz DPTYBDAAMYFNIY-QWHCGFSZSA-N 1 0 257.337 2.168 10 0 CEAERO [NH3+][C@H](c1ccc2c(c1)COC2)c1ccc2c(c1)CC(=O)N2 ZINC000111305627 186393779 /nfs/dbraw/zinc/39/37/79/186393779.db2.gz GDHBCPYUGFBYKU-QGZVFWFLSA-N 1 0 280.327 2.260 10 0 CEAERO CC[C@H](C)NC(=O)CC[NH2+]CCc1cccs1 ZINC000111451673 186419853 /nfs/dbraw/zinc/41/98/53/186419853.db2.gz IMDGMNZULZUVCI-NSHDSACASA-N 1 0 254.399 2.185 10 0 CEAERO CC[C@@H]1CO[C@@H](C)CN1c1c(F)cc(CC[NH3+])cc1F ZINC000111485495 186422892 /nfs/dbraw/zinc/42/28/92/186422892.db2.gz LSXCZQYXVVDBKO-CMPLNLGQSA-N 1 0 284.350 2.470 10 0 CEAERO CCc1c(C)nn(-c2c(C[C@@H]([NH3+])CC)c(C)nn2C)c1C ZINC000111514587 186425836 /nfs/dbraw/zinc/42/58/36/186425836.db2.gz QLEJLKQPDWUAFE-ZDUSSCGKSA-N 1 0 289.427 2.373 10 0 CEAERO Cn1ccnc1Sc1c(F)cc(CC[NH3+])cc1F ZINC000111579621 186428355 /nfs/dbraw/zinc/42/83/55/186428355.db2.gz GWAKJLTVSQBWIF-UHFFFAOYSA-N 1 0 269.320 2.351 10 0 CEAERO CCC(CC)NC(=O)CN1CCCC[C@@H]1C[NH2+]CC(C)C ZINC000111704983 186448358 /nfs/dbraw/zinc/44/83/58/186448358.db2.gz KNKZSNBMIZWZEX-MRXNPFEDSA-N 1 0 297.487 2.391 10 0 CEAERO CC[NH2+][C@@H](C)[C@@H]1CCCCN1CC(=O)NC1CCCCC1 ZINC000111711676 186449318 /nfs/dbraw/zinc/44/93/18/186449318.db2.gz JWQBTNKRWFEGNO-HOCLYGCPSA-N 1 0 295.471 2.288 10 0 CEAERO CC[C@@H]([NH2+][C@@H]1CCCNC(=O)C1)c1cccs1 ZINC000111826348 186461003 /nfs/dbraw/zinc/46/10/03/186461003.db2.gz OGCPEWNCQIHGNM-GHMZBOCLSA-N 1 0 252.383 2.458 10 0 CEAERO [NH3+]CC1(Nc2cc3ccccc3c(=O)[nH]2)CCCC1 ZINC000111833215 186461639 /nfs/dbraw/zinc/46/16/39/186461639.db2.gz AJANTGQTDLMIQH-UHFFFAOYSA-N 1 0 257.337 2.212 10 0 CEAERO Cc1nc(C)n(C[C@@H]2CCCC[N@@H+]2Cc2cccnc2)n1 ZINC000069877707 363010254 /nfs/dbraw/zinc/01/02/54/363010254.db2.gz ZFPXNILDFLPGDO-INIZCTEOSA-N 1 0 285.395 2.345 10 0 CEAERO CC(C)[N@H+](C)CCNC(=O)N1CCC[C@H]1c1ccco1 ZINC000116429966 186714008 /nfs/dbraw/zinc/71/40/08/186714008.db2.gz XRKFIJLOFVVTDC-ZDUSSCGKSA-N 1 0 279.384 2.466 10 0 CEAERO O[C@@H](C[NH2+]C[C@@H]1CCCC12CC2)COCc1ccco1 ZINC000629620056 351434207 /nfs/dbraw/zinc/43/42/07/351434207.db2.gz ZMDWQFQUYJOKDZ-KBPBESRZSA-N 1 0 279.380 2.327 10 0 CEAERO CCOC(=O)CCC[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000070272555 363066085 /nfs/dbraw/zinc/06/60/85/363066085.db2.gz SDJQANYMTNBDRZ-GFCCVEGCSA-N 1 0 293.363 2.452 10 0 CEAERO CC(C)OC[C@H](O)C[N@H+](Cc1ccsc1)C1CC1 ZINC000070197553 363053016 /nfs/dbraw/zinc/05/30/16/363053016.db2.gz IGHBIQDPROZSRL-CQSZACIVSA-N 1 0 269.410 2.498 10 0 CEAERO CCOC1CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000070197265 363053702 /nfs/dbraw/zinc/05/37/02/363053702.db2.gz XEHVPGYXMDHRQS-MRXNPFEDSA-N 1 0 293.407 2.065 10 0 CEAERO CCO[C@H]1CCCN(C(=O)C(C)(C)[C@H]2CCC[NH2+]C2)C1 ZINC000119648015 186842152 /nfs/dbraw/zinc/84/21/52/186842152.db2.gz XBXVCXHMWWKPLB-KBPBESRZSA-N 1 0 282.428 2.040 10 0 CEAERO [NH3+]CCCCC(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000070202178 363054865 /nfs/dbraw/zinc/05/48/65/363054865.db2.gz OULWMEARSSNIGY-VHSXEESVSA-N 1 0 266.307 2.353 10 0 CEAERO CCN(Cc1ccccn1)C(=O)C(C)(C)[C@H]1CCC[NH2+]C1 ZINC000120226062 186884648 /nfs/dbraw/zinc/88/46/48/186884648.db2.gz JEHGBABNBKEOFD-AWEZNQCLSA-N 1 0 289.423 2.456 10 0 CEAERO CCc1cc(N2CC[NH2+]CC2)nc(-c2cccc(F)c2)n1 ZINC000070451617 363083761 /nfs/dbraw/zinc/08/37/61/363083761.db2.gz ALFAFUPGZSKFLS-UHFFFAOYSA-N 1 0 286.354 2.255 10 0 CEAERO COC(=O)C1=C(O)CC[N@@H+]([C@@H](C)CCc2ccccc2)C1 ZINC000070460830 363088134 /nfs/dbraw/zinc/08/81/34/363088134.db2.gz XHPMCCKALVVASY-DZGCQCFKSA-N 1 0 289.375 2.072 10 0 CEAERO CO[C@@H]1CN(CCCOCc2ccccc2)[C@@](C)(C[NH3+])C1 ZINC000630364189 351713013 /nfs/dbraw/zinc/71/30/13/351713013.db2.gz DNHGSJWMQYHJQF-DLBZAZTESA-N 1 0 292.423 2.031 10 0 CEAERO CO[C@H]1CN(Cc2ccc(Cl)c(F)c2)[C@@](C)(C[NH3+])C1 ZINC000630365456 351713542 /nfs/dbraw/zinc/71/35/42/351713542.db2.gz ICNQSVDCIGXGAP-BXUZGUMPSA-N 1 0 286.778 2.417 10 0 CEAERO CO[C@@H]1CN(C(=O)c2ccc(Cl)c(C)c2)[C@@](C)(C[NH3+])C1 ZINC000630369934 351715298 /nfs/dbraw/zinc/71/52/98/351715298.db2.gz XTANDBGXWWOXGV-SWLSCSKDSA-N 1 0 296.798 2.227 10 0 CEAERO CO[C@@H]1CN(C(=O)c2cccc(C)c2Cl)[C@@](C)(C[NH3+])C1 ZINC000630375641 351716138 /nfs/dbraw/zinc/71/61/38/351716138.db2.gz SESSJVRBLOMRON-XHDPSFHLSA-N 1 0 296.798 2.227 10 0 CEAERO Cc1nc2ccccc2nc1N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000630534035 351775005 /nfs/dbraw/zinc/77/50/05/351775005.db2.gz SUNVIZJAFIRURP-CMPLNLGQSA-N 1 0 256.353 2.491 10 0 CEAERO CCc1cc(CC)nc(N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)n1 ZINC000630541584 351778355 /nfs/dbraw/zinc/77/83/55/351778355.db2.gz LRAWLDIYTSUBMD-IYBDPMFKSA-N 1 0 274.412 2.037 10 0 CEAERO Cc1cnc(C)c(NCC[C@@H]([NH3+])Cc2ccccc2)n1 ZINC000630572767 351788908 /nfs/dbraw/zinc/78/89/08/351788908.db2.gz SBXPMKKEIVMZDJ-OAHLLOKOSA-N 1 0 270.380 2.465 10 0 CEAERO C[C@H]1CN(C(=O)Nc2ccccc2Cl)C[C@@H]1C[NH3+] ZINC000630581045 351792035 /nfs/dbraw/zinc/79/20/35/351792035.db2.gz GMWZIKFUCHKUTK-UWVGGRQHSA-N 1 0 267.760 2.399 10 0 CEAERO C[C@@H]1CN(C(=O)Nc2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC000630582059 351792130 /nfs/dbraw/zinc/79/21/30/351792130.db2.gz PVFJTLWUNHUNKW-ZJUUUORDSA-N 1 0 267.760 2.399 10 0 CEAERO Cc1cnc(C)c(N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)n1 ZINC000630526188 351773327 /nfs/dbraw/zinc/77/33/27/351773327.db2.gz AWIPWGVLNQMKPS-QWRGUYRKSA-N 1 0 288.317 2.057 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCC2(C(C)C)CC2)C1 ZINC000123034939 187067630 /nfs/dbraw/zinc/06/76/30/187067630.db2.gz YAPFWCWFWUAYIH-KGLIPLIRSA-N 1 0 281.444 2.451 10 0 CEAERO CC(C)c1nc([C@H]2CCCN2CCC2OCCO2)no1 ZINC000124046241 187119957 /nfs/dbraw/zinc/11/99/57/187119957.db2.gz LWGCIKGWHGMKML-LLVKDONJSA-N 1 0 281.356 2.093 10 0 CEAERO CC(=O)Oc1ccc(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)cc1 ZINC000123215096 187077938 /nfs/dbraw/zinc/07/79/38/187077938.db2.gz CMWQXPWUMSNTSU-HNNXBMFYSA-N 1 0 299.374 2.335 10 0 CEAERO CCc1nc(C)c([C@H](C)[NH2+]C[C@@H](C)N2CCOCC2)s1 ZINC000123237718 187079568 /nfs/dbraw/zinc/07/95/68/187079568.db2.gz ZXFAPJNBLSCAGO-NEPJUHHUSA-N 1 0 297.468 2.385 10 0 CEAERO CCc1nc(Cl)c(C)c(N2C[C@H](C)[C@H]([NH+](C)C)C2)n1 ZINC000123981864 187116853 /nfs/dbraw/zinc/11/68/53/187116853.db2.gz MXCKFEATQNLFOU-GXSJLCMTSA-N 1 0 282.819 2.387 10 0 CEAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccncc1Br ZINC000631077497 351952008 /nfs/dbraw/zinc/95/20/08/351952008.db2.gz GGWVQPPUTITFDA-DGCLKSJQSA-N 1 0 299.212 2.485 10 0 CEAERO [NH3+]Cc1c[nH]c(-c2cc(Br)cs2)n1 ZINC000070599545 363100541 /nfs/dbraw/zinc/10/05/41/363100541.db2.gz LGAPIOVYDCOBSA-UHFFFAOYSA-N 1 0 258.144 2.359 10 0 CEAERO [NH3+][C@H](CO)c1ccc(Cl)cc1Br ZINC000072199132 363121152 /nfs/dbraw/zinc/12/11/52/363121152.db2.gz ZWMGYWXYDLGLCS-MRVPVSSYSA-N 1 0 250.523 2.095 10 0 CEAERO CCS(=O)(=O)c1ccc(N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000093212068 539845285 /nfs/dbraw/zinc/84/52/85/539845285.db2.gz SGWXYEYOUKEPSI-DGCLKSJQSA-N 1 0 282.409 2.162 10 0 CEAERO Cc1cc(C)c(O)c(NC(=O)[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000094574553 539882755 /nfs/dbraw/zinc/88/27/55/539882755.db2.gz ODMSYOIZIVEEPL-RYUDHWBXSA-N 1 0 262.353 2.323 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@H](C)c2cc(C)oc2C)C1 ZINC000252641684 539883612 /nfs/dbraw/zinc/88/36/12/539883612.db2.gz MCWIXDMTEMNAHK-OCCSQVGLSA-N 1 0 266.385 2.268 10 0 CEAERO C[C@@H]1CC[C@H](C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)O1 ZINC000131747014 366084139 /nfs/dbraw/zinc/08/41/39/366084139.db2.gz JHMYDPCAOBACKQ-LXTVHRRPSA-N 1 0 282.428 2.038 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](C(=O)Nc2cccc3cccnc32)C1 ZINC000097092098 539947244 /nfs/dbraw/zinc/94/72/44/539947244.db2.gz MWCBPQZMUZJMTL-VXGBXAGGSA-N 1 0 255.321 2.301 10 0 CEAERO C[C@H](C(=O)NCC[C@H]1CCCO1)[C@H]([NH3+])c1ccccc1 ZINC000251086164 539971975 /nfs/dbraw/zinc/97/19/75/539971975.db2.gz XRYWMEZXIKJNMO-CFVMTHIKSA-N 1 0 276.380 2.008 10 0 CEAERO CCC[C@@H](C(=O)NCc1ccc(C)cc1OC)[NH+](C)C ZINC000154034694 188119227 /nfs/dbraw/zinc/11/92/27/188119227.db2.gz AQCXTCYNBUYYAG-AWEZNQCLSA-N 1 0 278.396 2.350 10 0 CEAERO COCOc1ccc(OC)cc1C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000154479416 188145051 /nfs/dbraw/zinc/14/50/51/188145051.db2.gz MVWJTJMCKRPOAI-WFASDCNBSA-N 1 0 295.379 2.335 10 0 CEAERO CCc1ccc(CCNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000154103951 188123922 /nfs/dbraw/zinc/12/39/22/188123922.db2.gz JEGXFWXBXHMREW-CVEARBPZSA-N 1 0 274.408 2.425 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccccc2F)[C@@H](C)C1 ZINC000155687376 188221161 /nfs/dbraw/zinc/22/11/61/188221161.db2.gz SSOWSYBHLKPVDD-FZMZJTMJSA-N 1 0 264.344 2.284 10 0 CEAERO CC(C)[C@@H](CO)[NH2+]C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000156400695 188260014 /nfs/dbraw/zinc/26/00/14/188260014.db2.gz YVFBFMVCBPQBQY-DZGCQCFKSA-N 1 0 296.798 2.440 10 0 CEAERO C[C@@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)c1cccs1 ZINC000158684379 188389005 /nfs/dbraw/zinc/38/90/05/188389005.db2.gz WTLIRBNKHRZNSO-GHMZBOCLSA-N 1 0 252.383 2.014 10 0 CEAERO Cc1cnc([C@H](C)NC(=O)[C@H]2CCC[C@H]2C[NH3+])s1 ZINC000252685085 540007155 /nfs/dbraw/zinc/00/71/55/540007155.db2.gz HPHDCQAKEAOKJX-DCAQKATOSA-N 1 0 267.398 2.004 10 0 CEAERO O=C(NC[C@H]1CC[NH2+]C1)c1cc2sccc2s1 ZINC000156438586 540007188 /nfs/dbraw/zinc/00/71/88/540007188.db2.gz SLIQFXCVJDZKGZ-QMMMGPOBSA-N 1 0 266.391 2.302 10 0 CEAERO CC[C@H](CCO)[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000131906783 366098992 /nfs/dbraw/zinc/09/89/92/366098992.db2.gz XKMYLVXVBLOMRG-GXFFZTMASA-N 1 0 253.390 2.331 10 0 CEAERO CC(C)[NH+](CCCNC(=O)N[C@@H](C)[C@H]1CCCO1)C(C)C ZINC000074853990 363405928 /nfs/dbraw/zinc/40/59/28/363405928.db2.gz BPQZXAOAPLBEGV-LSDHHAIUSA-N 1 0 299.459 2.362 10 0 CEAERO CC[C@H](C)[NH2+][C@H]1CC(=O)N(Cc2ccc(OC)cc2)C1 ZINC000675070171 540112000 /nfs/dbraw/zinc/11/20/00/540112000.db2.gz QRNSADYRNVSXLT-JSGCOSHPSA-N 1 0 276.380 2.184 10 0 CEAERO Brc1csc([C@@H]2[NH2+]CCc3nc[nH]c32)c1 ZINC000084198638 540126382 /nfs/dbraw/zinc/12/63/82/540126382.db2.gz PFZRNAHDAVTKTL-JTQLQIEISA-N 1 0 284.182 2.469 10 0 CEAERO C[C@@H](CN1CCCC1=O)[NH2+]CC1CCC(C)CC1 ZINC000089576669 295900720 /nfs/dbraw/zinc/90/07/20/295900720.db2.gz KPBLHGRHMATCFW-MOKVOYLWSA-N 1 0 252.402 2.413 10 0 CEAERO Cc1ccc(CN2CC[C@@H]3OCC[NH2+][C@H]3C2)c(Cl)c1 ZINC000404257782 540120532 /nfs/dbraw/zinc/12/05/32/540120532.db2.gz MWDHAVLJILMFKT-GJZGRUSLSA-N 1 0 280.799 2.211 10 0 CEAERO CC(C)(C)[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261868815 540155227 /nfs/dbraw/zinc/15/52/27/540155227.db2.gz XPVCBGWABWTLLU-UPJWGTAASA-N 1 0 252.402 2.399 10 0 CEAERO COC[C@H](C)[NH2+]C[C@@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000174305435 188891177 /nfs/dbraw/zinc/89/11/77/188891177.db2.gz WVKJXBSOOYXWCX-MJBXVCDLSA-N 1 0 298.452 2.134 10 0 CEAERO CCC[C@H]([NH3+])C(=O)Nc1cc2c(cc1SC)OCCO2 ZINC000236946263 370663171 /nfs/dbraw/zinc/66/31/71/370663171.db2.gz VKXKJUKXZFQLCI-VIFPVBQESA-N 1 0 296.392 2.246 10 0 CEAERO CCN(CC)c1ncc(C[NH2+][C@@H]2CCO[C@H]2C)s1 ZINC000134246106 366302581 /nfs/dbraw/zinc/30/25/81/366302581.db2.gz HGIHNUWONCEVLY-CMPLNLGQSA-N 1 0 269.414 2.256 10 0 CEAERO [NH3+]C1CC([C@H](O)c2cscc2Br)C1 ZINC000575517604 366293342 /nfs/dbraw/zinc/29/33/42/366293342.db2.gz RCVUVPXVRMGUKX-BIFUPNIPSA-N 1 0 262.172 2.281 10 0 CEAERO [NH3+][C@@H]1CO[C@H](c2ccc(I)cc2)C1 ZINC000575507519 366293444 /nfs/dbraw/zinc/29/34/44/366293444.db2.gz ICICZJFKICUFFH-UWVGGRQHSA-N 1 0 289.116 2.080 10 0 CEAERO CCc1cc(I)cc(C[NH3+])c1OC ZINC000575725123 366348174 /nfs/dbraw/zinc/34/81/74/366348174.db2.gz GNEVIHMMCXDJMS-UHFFFAOYSA-N 1 0 291.132 2.321 10 0 CEAERO CCc1cc(OC)cc(I)c1C[NH3+] ZINC000575726010 366348900 /nfs/dbraw/zinc/34/89/00/366348900.db2.gz QNOBJLCZZZIQJX-UHFFFAOYSA-N 1 0 291.132 2.321 10 0 CEAERO C[NH2+]C[C@@H]1CCCN(c2nc3ccccc3n2C)C1 ZINC000079047852 363569789 /nfs/dbraw/zinc/56/97/89/363569789.db2.gz DWDFNSFGZFUMJZ-LBPRGKRZSA-N 1 0 258.369 2.009 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@@H]1c1ccncc1 ZINC000227402791 538822610 /nfs/dbraw/zinc/82/26/10/538822610.db2.gz BMPAPRRQDAEHGN-SOUVJXGZSA-N 1 0 273.380 2.120 10 0 CEAERO COc1ccc(C)cc1[C@@H](C)NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000079513782 538891025 /nfs/dbraw/zinc/89/10/25/538891025.db2.gz DYHHFBNMDOSDSI-WBMJQRKESA-N 1 0 276.380 2.323 10 0 CEAERO O[C@H]1CCC[C@@H]([NH2+]Cc2cncc(Br)c2)C1 ZINC000166496256 540304794 /nfs/dbraw/zinc/30/47/94/540304794.db2.gz 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ZINC000176963515 189017412 /nfs/dbraw/zinc/01/74/12/189017412.db2.gz KAIVGPLWJDIGNX-AWEZNQCLSA-N 1 0 264.344 2.382 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccccn1 ZINC000177024914 189021698 /nfs/dbraw/zinc/02/16/98/189021698.db2.gz RJFNLAXBNMRNCI-GFCCVEGCSA-N 1 0 262.357 2.030 10 0 CEAERO C[C@H](c1cn(-c2ccccc2)nn1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177498444 189054128 /nfs/dbraw/zinc/05/41/28/189054128.db2.gz SAUYDWCYJAWDOW-GDBMZVCRSA-N 1 0 297.406 2.108 10 0 CEAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCc1ccncc1 ZINC000178306385 189104534 /nfs/dbraw/zinc/10/45/34/189104534.db2.gz WAXXUJDUIQRMSU-INIZCTEOSA-N 1 0 270.380 2.294 10 0 CEAERO CCC[C@@H](C(=O)OCC)[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178331445 189107617 /nfs/dbraw/zinc/10/76/17/189107617.db2.gz UJUDRVBBYNQFRJ-CABCVRRESA-N 1 0 293.411 2.388 10 0 CEAERO CCC[C@@H](C(=O)Nc1ccc2c(c1)CCO2)[NH+](C)C ZINC000178654163 189134513 /nfs/dbraw/zinc/13/45/13/189134513.db2.gz JKAJKYNRGGFXGP-ZDUSSCGKSA-N 1 0 262.353 2.290 10 0 CEAERO COc1cc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)ccc1Cl ZINC000179342278 189187006 /nfs/dbraw/zinc/18/70/06/189187006.db2.gz LYQOJHRRISMCMW-LBPRGKRZSA-N 1 0 294.782 2.269 10 0 CEAERO O=C1NCC[C@H]1[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000676234978 540907669 /nfs/dbraw/zinc/90/76/69/540907669.db2.gz WYIDJKGXJYJAFI-QGZVFWFLSA-N 1 0 296.370 2.244 10 0 CEAERO O=C1NCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000676234754 540907707 /nfs/dbraw/zinc/90/77/07/540907707.db2.gz MNKAUICEUFYOLF-INIZCTEOSA-N 1 0 266.344 2.332 10 0 CEAERO c1cn2c(cccc2CN2CC[N@@H+]3CCCC[C@@H]3C2)n1 ZINC000179892874 189226715 /nfs/dbraw/zinc/22/67/15/189226715.db2.gz QXSKWUJPNJYWET-CQSZACIVSA-N 1 0 270.380 2.004 10 0 CEAERO Cc1cccc(C[N@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)c1C ZINC000180229185 189244872 /nfs/dbraw/zinc/24/48/72/189244872.db2.gz PHZUSVSVDYAMJU-MAUKXSAKSA-N 1 0 288.435 2.456 10 0 CEAERO [NH3+][C@H](Cc1ccccc1)[C@@H]1COc2ccccc2O1 ZINC000083743765 283620169 /nfs/dbraw/zinc/62/01/69/283620169.db2.gz OZEIVVGWKVKARW-CJNGLKHVSA-N 1 0 255.317 2.396 10 0 CEAERO C[C@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@H](C)C1)c1cccs1 ZINC000180271614 189248000 /nfs/dbraw/zinc/24/80/00/189248000.db2.gz QDMAHKFJIPNBET-UTUOFQBUSA-N 1 0 282.409 2.035 10 0 CEAERO CC[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(OC)cc1 ZINC000180582382 189263594 /nfs/dbraw/zinc/26/35/94/189263594.db2.gz JIGYDBJYZQRUQR-UKRRQHHQSA-N 1 0 286.379 2.342 10 0 CEAERO CCc1ccc([C@@H](C)[NH2+][C@@H]2CCc3ncnn3C2)o1 ZINC000180597837 189264552 /nfs/dbraw/zinc/26/45/52/189264552.db2.gz RFOPSLCIFJIKPX-GHMZBOCLSA-N 1 0 260.341 2.099 10 0 CEAERO C[C@@H](COc1ccccc1)NC(=O)C[N@@H+]1CCCC[C@@H]1C ZINC000002012193 361225932 /nfs/dbraw/zinc/22/59/32/361225932.db2.gz BSXYTWIMVKWVPG-GJZGRUSLSA-N 1 0 290.407 2.445 10 0 CEAERO C[C@@H]1CC[C@@H](C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)O1 ZINC000153348729 366733956 /nfs/dbraw/zinc/73/39/56/366733956.db2.gz HULUZNLSVGXGNL-ILXRZTDVSA-N 1 0 280.412 2.031 10 0 CEAERO O=C(Nc1cc(-c2ccccc2)[nH]n1)[C@H]1CCC[NH2+]C1 ZINC000082281374 363757362 /nfs/dbraw/zinc/75/73/62/363757362.db2.gz IKQULBKJEOZOJC-LBPRGKRZSA-N 1 0 270.336 2.015 10 0 CEAERO [NH3+][C@@H](Cc1ccccc1)[C@@H]1COc2ccccc2O1 ZINC000083743764 363786158 /nfs/dbraw/zinc/78/61/58/363786158.db2.gz OZEIVVGWKVKARW-BBRMVZONSA-N 1 0 255.317 2.396 10 0 CEAERO CCOCC[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000083799246 363787571 /nfs/dbraw/zinc/78/75/71/363787571.db2.gz PFNSKKFGCKFAAL-CYBMUJFWSA-N 1 0 286.416 2.260 10 0 CEAERO COc1ccc(CCN2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000083550995 363779694 /nfs/dbraw/zinc/77/96/94/363779694.db2.gz CLMOBKRLFMUFIM-GDBMZVCRSA-N 1 0 274.408 2.406 10 0 CEAERO CC(C)CCOCCN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000083552911 363780320 /nfs/dbraw/zinc/78/03/20/363780320.db2.gz SSORGPOFGRGBFJ-HUUCEWRRSA-N 1 0 254.418 2.218 10 0 CEAERO C[C@@](O)(C[N@@H+]1CC[C@]2(CCOC2)C1)c1ccccc1 ZINC000153962344 366748089 /nfs/dbraw/zinc/74/80/89/366748089.db2.gz FETAAIODOLJGRM-CVEARBPZSA-N 1 0 261.365 2.007 10 0 CEAERO CC(C)[C@H](C)[NH2+][C@@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000012672271 361396465 /nfs/dbraw/zinc/39/64/65/361396465.db2.gz ROBUVDYMFNYAOF-RYUDHWBXSA-N 1 0 277.368 2.357 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(O)c1 ZINC000182891533 189338581 /nfs/dbraw/zinc/33/85/81/189338581.db2.gz HWOZZOMZRCIPPA-CQSZACIVSA-N 1 0 276.380 2.242 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@@H]1CCO[C@H](C(CC)CC)C1 ZINC000183086285 189346385 /nfs/dbraw/zinc/34/63/85/189346385.db2.gz CCUWBIYRVNEVSU-RDBSUJKOSA-N 1 0 270.417 2.214 10 0 CEAERO Cn1cc([C@@H](CNc2nc3ccccc3[nH]2)[NH+](C)C)cn1 ZINC000301898707 201252215 /nfs/dbraw/zinc/25/22/15/201252215.db2.gz XCFLXIGNDGRHQK-CQSZACIVSA-N 1 0 284.367 2.011 10 0 CEAERO OCC[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]2n1cccc1 ZINC000029315512 361683903 /nfs/dbraw/zinc/68/39/03/361683903.db2.gz XCWSTXJAIKIBPH-KRWDZBQOSA-N 1 0 298.386 2.297 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@H](C)CC2CCCC2)C1 ZINC000679031143 541207267 /nfs/dbraw/zinc/20/72/67/541207267.db2.gz DNWWNFNXCQOFKD-HIFRSBDPSA-N 1 0 254.418 2.266 10 0 CEAERO CCCOc1ccc(NC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000032112475 361728114 /nfs/dbraw/zinc/72/81/14/361728114.db2.gz QZJNBYAKEHPULP-LBPRGKRZSA-N 1 0 262.353 2.414 10 0 CEAERO COc1cc(OC)cc(OCCC[N@H+](C)CC(C)(C)O)c1 ZINC000084865658 363824890 /nfs/dbraw/zinc/82/48/90/363824890.db2.gz PFRSBCAHBQTCHY-UHFFFAOYSA-N 1 0 297.395 2.175 10 0 CEAERO C[C@@H]1C[N@H+](C[C@H](O)COCc2ccccc2)CCS1 ZINC000084963594 363827791 /nfs/dbraw/zinc/82/77/91/363827791.db2.gz UKLGZCSZOISRGZ-HIFRSBDPSA-N 1 0 281.421 2.001 10 0 CEAERO OCCC[C@@H]1CCC[N@@H+]1CCc1ccc2c(c1)CCO2 ZINC000088106063 363877335 /nfs/dbraw/zinc/87/73/35/363877335.db2.gz SRCGGPMLTIRSQN-INIZCTEOSA-N 1 0 275.392 2.401 10 0 CEAERO Cc1ccccc1S(=O)(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000088718071 363915222 /nfs/dbraw/zinc/91/52/22/363915222.db2.gz UAQYYMQVGNMGAV-CQSZACIVSA-N 1 0 298.452 2.250 10 0 CEAERO CC(C)n1cncc1C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000090209453 364050402 /nfs/dbraw/zinc/05/04/02/364050402.db2.gz NFXKBFCUSSUIRC-JSGCOSHPSA-N 1 0 251.374 2.105 10 0 CEAERO CCCC[C@@H](COC)[NH2+][C@@H]1CCCn2nc(C)nc21 ZINC000090225284 364050604 /nfs/dbraw/zinc/05/06/04/364050604.db2.gz SCOQWLCIHAHKMQ-QWHCGFSZSA-N 1 0 266.389 2.216 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc2[nH]cnc2c1 ZINC000092667316 364096978 /nfs/dbraw/zinc/09/69/78/364096978.db2.gz NBVXAOQNEKPYGH-ZDUSSCGKSA-N 1 0 286.379 2.119 10 0 CEAERO CCn1cc(C2CC[NH+](Cc3cn(C)nc3C)CC2)cn1 ZINC000092809121 364110590 /nfs/dbraw/zinc/11/05/90/364110590.db2.gz POXVTFZZTCVQMH-UHFFFAOYSA-N 1 0 287.411 2.325 10 0 CEAERO C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CCCc2ccccc21 ZINC000092951380 364122040 /nfs/dbraw/zinc/12/20/40/364122040.db2.gz DITSPDZOOMLYJU-NJZAAPMLSA-N 1 0 258.365 2.178 10 0 CEAERO COc1c(CN(C)CC[C@@H]2CCCC[N@@H+]2C)c(C)nn1C ZINC000093660085 364210085 /nfs/dbraw/zinc/21/00/85/364210085.db2.gz NDRDHNDMOSPYGZ-AWEZNQCLSA-N 1 0 294.443 2.043 10 0 CEAERO Cc1c(C[NH2+]CCCOc2ccccc2)cnn1C ZINC000093650235 364211029 /nfs/dbraw/zinc/21/10/29/364211029.db2.gz CYXZHWGYKYASGN-UHFFFAOYSA-N 1 0 259.353 2.287 10 0 CEAERO Cc1ccc(C(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)c(F)c1 ZINC000094239549 364261435 /nfs/dbraw/zinc/26/14/35/364261435.db2.gz RXPBLONIFIDKMT-FZMZJTMJSA-N 1 0 264.344 2.156 10 0 CEAERO C[C@H]1CN(c2ncccc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000094342465 364268710 /nfs/dbraw/zinc/26/87/10/364268710.db2.gz HKBRTQLBKWBJFY-WPRPVWTQSA-N 1 0 259.275 2.274 10 0 CEAERO CCOc1nc2ccccc2nc1N(C)C1CC[NH2+]CC1 ZINC000095069669 364329711 /nfs/dbraw/zinc/32/97/11/364329711.db2.gz XSHWWJPJYVCYKC-UHFFFAOYSA-N 1 0 286.379 2.217 10 0 CEAERO CCOc1nc2ccccc2nc1N(C)C[C@H]1CCC[NH2+]1 ZINC000095069673 364329759 /nfs/dbraw/zinc/32/97/59/364329759.db2.gz BKRLGFQXDQKVLC-GFCCVEGCSA-N 1 0 286.379 2.217 10 0 CEAERO Cc1cnc(N(C)C[C@H]2CCCC[NH2+]2)nc1Cl ZINC000095070787 364331424 /nfs/dbraw/zinc/33/14/24/364331424.db2.gz NKHGHRZKRYQPKA-SNVBAGLBSA-N 1 0 254.765 2.017 10 0 CEAERO [NH3+][C@H]1CCOC[C@H]1Cc1ccc(Br)cc1 ZINC000095077443 364333597 /nfs/dbraw/zinc/33/35/97/364333597.db2.gz HLMQHRGQRRTJRT-PWSUYJOCSA-N 1 0 270.170 2.355 10 0 CEAERO S=C1Nc2ccccc2CN1C[C@H]1CCC[NH2+]C1 ZINC000095078938 364334609 /nfs/dbraw/zinc/33/46/09/364334609.db2.gz PFACCBVQYVTLDL-NSHDSACASA-N 1 0 261.394 2.199 10 0 CEAERO Brc1ccc(CNC[C@H]2CCCC[NH2+]2)cn1 ZINC000095092428 364339002 /nfs/dbraw/zinc/33/90/02/364339002.db2.gz SGDXBXRCLJVSPG-LLVKDONJSA-N 1 0 284.201 2.076 10 0 CEAERO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2COc3ccccc32)C1 ZINC000094636063 364285561 /nfs/dbraw/zinc/28/55/61/364285561.db2.gz XAWFMRQPDKYYLX-YRGRVCCFSA-N 1 0 295.404 2.066 10 0 CEAERO CCc1ccc(CN(C)C(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000097093185 364446294 /nfs/dbraw/zinc/44/62/94/364446294.db2.gz ZNTRPDMCEGWLSK-HUUCEWRRSA-N 1 0 260.381 2.335 10 0 CEAERO Cc1cc(Br)c(C[NH3+])nc1Br ZINC000156749733 366837631 /nfs/dbraw/zinc/83/76/31/366837631.db2.gz MCDDHOXPCDGVII-UHFFFAOYSA-N 1 0 279.963 2.374 10 0 CEAERO C[C@@H](Nc1cccc(CCCO)c1)[C@H]1CCC[NH2+]C1 ZINC000582050085 366853698 /nfs/dbraw/zinc/85/36/98/366853698.db2.gz FZGLUTHEIGXGCZ-HIFRSBDPSA-N 1 0 262.397 2.412 10 0 CEAERO C1=CCN(c2nc(-c3ccccc3)nc3c2CC[NH2+]CC3)C1 ZINC000101171054 364555486 /nfs/dbraw/zinc/55/54/86/364555486.db2.gz UEESVJQTXYVOGE-UHFFFAOYSA-N 1 0 292.386 2.208 10 0 CEAERO [NH3+][C@H]1CC[C@H](n2cnc3cnc4[nH]ccc4c32)CC1 ZINC000101537712 364559759 /nfs/dbraw/zinc/55/97/59/364559759.db2.gz YWFKBVSIOXRKIU-AOOOYVTPSA-N 1 0 255.325 2.355 10 0 CEAERO CC(=O)CC[N@@H+]1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000103474059 364657889 /nfs/dbraw/zinc/65/78/89/364657889.db2.gz CGAVAABRSIEXGL-AWEZNQCLSA-N 1 0 261.369 2.103 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nn(C)cc1Cl ZINC000335446153 364746323 /nfs/dbraw/zinc/74/63/23/364746323.db2.gz ZDSYZEJQHCTBMK-NWDGAFQWSA-N 1 0 282.819 2.132 10 0 CEAERO CN1CCC[C@H]([NH2+]Cc2ccnc3ccccc23)C1 ZINC000111728617 364756047 /nfs/dbraw/zinc/75/60/47/364756047.db2.gz IIPLMZAAUUWBSA-AWEZNQCLSA-N 1 0 255.365 2.419 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1c[nH]c2ccccc12 ZINC000113223614 364876844 /nfs/dbraw/zinc/87/68/44/364876844.db2.gz QJRPYBNDOASYOV-UKRRQHHQSA-N 1 0 297.402 2.406 10 0 CEAERO CC(C)n1nccc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000113367079 364890243 /nfs/dbraw/zinc/89/02/43/364890243.db2.gz BIQRGPBTZRPREN-CHWSQXEVSA-N 1 0 291.399 2.164 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCCCCn1cccn1 ZINC000113267762 364880407 /nfs/dbraw/zinc/88/04/07/364880407.db2.gz OAXJHDYJUGTLKS-JKSUJKDBSA-N 1 0 276.428 2.222 10 0 CEAERO CC(=O)Nc1cccc(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000113270146 364882510 /nfs/dbraw/zinc/88/25/10/364882510.db2.gz VMFGTUQODFLIFR-CXAGYDPISA-N 1 0 287.407 2.314 10 0 CEAERO CC(C)OC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000113769427 364913076 /nfs/dbraw/zinc/91/30/76/364913076.db2.gz AKHWLRHYWOJEEJ-UHFFFAOYSA-N 1 0 254.374 2.482 10 0 CEAERO COc1cc(C)ccc1NC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000335593180 212306131 /nfs/dbraw/zinc/30/61/31/212306131.db2.gz YEIOFRFXTNFZDI-NEPJUHHUSA-N 1 0 262.353 2.330 10 0 CEAERO Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCS(=O)(=O)C2)o1 ZINC000680406416 541409458 /nfs/dbraw/zinc/40/94/58/541409458.db2.gz ZZMKNHIYNDQLKG-NEPJUHHUSA-N 1 0 271.382 2.063 10 0 CEAERO C[C@@H]1C[NH+](CCc2nc(-c3ccccc3)no2)C[C@@H](C)O1 ZINC000114205235 364930827 /nfs/dbraw/zinc/93/08/27/364930827.db2.gz IOUNKOJKGOFEGC-CHWSQXEVSA-N 1 0 287.363 2.388 10 0 CEAERO [NH3+]C[C@@H]1CN(c2cc(Cl)cc(Cl)c2)C(=O)O1 ZINC000019669224 541444500 /nfs/dbraw/zinc/44/45/00/541444500.db2.gz AYQKEYCSKUSUQT-SECBINFHSA-N 1 0 261.108 2.277 10 0 CEAERO Cc1cc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)nc(C2CC2)n1 ZINC000116261985 365045990 /nfs/dbraw/zinc/04/59/90/365045990.db2.gz FOZQGMSKISBTDL-JSGCOSHPSA-N 1 0 272.396 2.335 10 0 CEAERO CCCC(C)(C)NC(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000116535585 365061954 /nfs/dbraw/zinc/06/19/54/365061954.db2.gz ZZRIEHHJJGETCL-LBPRGKRZSA-N 1 0 255.406 2.349 10 0 CEAERO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@H]1COc2ccccc21 ZINC000245397092 370811757 /nfs/dbraw/zinc/81/17/57/370811757.db2.gz NVQSTRFDUCBOHD-OCCSQVGLSA-N 1 0 291.395 2.150 10 0 CEAERO Cn1c(C[NH2+]C[C@@H]2CCc3nccn3C2)nc2ccccc21 ZINC000275452841 193044243 /nfs/dbraw/zinc/04/42/43/193044243.db2.gz GRTVHMQGBNUCJF-ZDUSSCGKSA-N 1 0 295.390 2.122 10 0 CEAERO CC(C)[C@H](C)NC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000119721552 365315535 /nfs/dbraw/zinc/31/55/35/365315535.db2.gz XLHQFLUKEYMFEH-OLZOCXBDSA-N 1 0 255.406 2.062 10 0 CEAERO Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1ccsc1 ZINC000275519318 193064857 /nfs/dbraw/zinc/06/48/57/193064857.db2.gz LANUCSBDTCFGQN-STQMWFEESA-N 1 0 277.393 2.492 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)c1ccc(Cl)cn1 ZINC000282502183 299358191 /nfs/dbraw/zinc/35/81/91/299358191.db2.gz YGFQWAKPYMQECL-YGOYTEALSA-N 1 0 267.760 2.053 10 0 CEAERO C[N@H+](Cc1cncs1)[C@H]1CCCN(c2cccnn2)C1 ZINC000120180915 365386074 /nfs/dbraw/zinc/38/60/74/365386074.db2.gz VKTOZKARBHHNAP-LBPRGKRZSA-N 1 0 289.408 2.034 10 0 CEAERO Cc1cc(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)ccn1 ZINC000120217098 365391096 /nfs/dbraw/zinc/39/10/96/365391096.db2.gz LEBZVWGDEZKOBP-SMDDNHRTSA-N 1 0 276.384 2.240 10 0 CEAERO CCOCC[N@@H+]1CCN(Cc2csc(C)n2)C[C@H]1CC ZINC000120709649 365464236 /nfs/dbraw/zinc/46/42/36/365464236.db2.gz IYMOHCJCADNLJW-OAHLLOKOSA-N 1 0 297.468 2.384 10 0 CEAERO CC[C@@H](C)C[NH2+][C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000120542783 365440284 /nfs/dbraw/zinc/44/02/84/365440284.db2.gz OIOHYXALLHDLSL-VXGBXAGGSA-N 1 0 250.390 2.352 10 0 CEAERO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)o1 ZINC000121029822 365514257 /nfs/dbraw/zinc/51/42/57/365514257.db2.gz PPALXYRYWMWEKO-YCPHGPKFSA-N 1 0 290.407 2.310 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nc(C2CC2)no1 ZINC000245417676 370817049 /nfs/dbraw/zinc/81/70/49/370817049.db2.gz GEOSEDHESDAVCQ-OLZOCXBDSA-N 1 0 276.384 2.006 10 0 CEAERO C[C@]1(CNc2nnc(C(F)(F)F)s2)CCC[NH2+]C1 ZINC000160394928 367002772 /nfs/dbraw/zinc/00/27/72/367002772.db2.gz XGJVBNQTOBULNW-VIFPVBQESA-N 1 0 280.319 2.359 10 0 CEAERO CC[C@H](C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000638883856 370818368 /nfs/dbraw/zinc/81/83/68/370818368.db2.gz BRRSOKGKEFKUEG-SNPRPXQTSA-N 1 0 260.381 2.233 10 0 CEAERO C[C@@H]1CN(C(=O)c2cccn2Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000638885317 370819588 /nfs/dbraw/zinc/81/95/88/370819588.db2.gz BSVPLQOTAKFFKH-ZBFHGGJFSA-N 1 0 297.402 2.203 10 0 CEAERO CCCOc1cccc(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000638886615 370820239 /nfs/dbraw/zinc/82/02/39/370820239.db2.gz AYVWDAMVPXQARY-GXTWGEPZSA-N 1 0 276.380 2.142 10 0 CEAERO COc1ccc(Cl)cc1C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638887593 370822218 /nfs/dbraw/zinc/82/22/18/370822218.db2.gz WDVHNLNPDOBJTI-ZJUUUORDSA-N 1 0 282.771 2.015 10 0 CEAERO C[C@H]1CN(C(=O)C2(c3ccc(Cl)cc3)CC2)C[C@H]1C[NH3+] ZINC000638888239 370822242 /nfs/dbraw/zinc/82/22/42/370822242.db2.gz RNZWCVYJOBAMQB-NWDGAFQWSA-N 1 0 292.810 2.425 10 0 CEAERO C[C@H]1CN(C(=O)CCOc2ccccc2Cl)C[C@H]1C[NH3+] ZINC000638893164 370825563 /nfs/dbraw/zinc/82/55/63/370825563.db2.gz RFYVCDMSGUDNIL-NWDGAFQWSA-N 1 0 296.798 2.162 10 0 CEAERO CCSCC[C@@H](C)NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000245499889 370829237 /nfs/dbraw/zinc/82/92/37/370829237.db2.gz ZAXKFKIWQGYSFO-OLZOCXBDSA-N 1 0 285.457 2.008 10 0 CEAERO C[C@@H]1CN(c2ncc(Cl)cc2Br)CC[NH2+]1 ZINC000162763913 367188571 /nfs/dbraw/zinc/18/85/71/367188571.db2.gz SCZNRQHDESBZRU-SSDOTTSWSA-N 1 0 290.592 2.296 10 0 CEAERO C[C@H](O)[C@@H]1CC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000162784345 367189896 /nfs/dbraw/zinc/18/98/96/367189896.db2.gz QQVVPFNQXDIGMJ-GXTWGEPZSA-N 1 0 256.349 2.438 10 0 CEAERO CC[C@@H](C(=O)N1CCC[C@@H](c2nc(C)cs2)C1)[NH+](C)C ZINC000163788269 367265345 /nfs/dbraw/zinc/26/53/45/367265345.db2.gz BXEQNENAKLJVEC-OLZOCXBDSA-N 1 0 295.452 2.498 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccc(CO)cc1 ZINC000163440738 367240774 /nfs/dbraw/zinc/24/07/74/367240774.db2.gz WSIPNVJIGWMBJR-INIZCTEOSA-N 1 0 262.397 2.095 10 0 CEAERO Cc1nc2ccc(NC(=O)N3CC[C@@H]([NH+](C)C)C3)cc2o1 ZINC000171074877 367471420 /nfs/dbraw/zinc/47/14/20/367471420.db2.gz XFEHGLSHVDMFDB-GFCCVEGCSA-N 1 0 288.351 2.304 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccccc2OC(F)F)C1 ZINC000170856356 367432523 /nfs/dbraw/zinc/43/25/23/367432523.db2.gz ZTQUGALULGSLHL-JTQLQIEISA-N 1 0 284.306 2.064 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000170863692 367434040 /nfs/dbraw/zinc/43/40/40/367434040.db2.gz HWWGILIOTGOAIQ-LBPRGKRZSA-N 1 0 286.297 2.482 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)c2cc3ccccc3o2)C1 ZINC000170862127 367434218 /nfs/dbraw/zinc/43/42/18/367434218.db2.gz JXDAWWISIDHFJR-LBPRGKRZSA-N 1 0 258.321 2.209 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cc3ccccc3o2)C1 ZINC000170862123 367434819 /nfs/dbraw/zinc/43/48/19/367434819.db2.gz JXDAWWISIDHFJR-GFCCVEGCSA-N 1 0 258.321 2.209 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)c2nccc3ccccc32)C1 ZINC000170864487 367436784 /nfs/dbraw/zinc/43/67/84/367436784.db2.gz VXRMUFCZNMAZDQ-ZDUSSCGKSA-N 1 0 269.348 2.011 10 0 CEAERO C[C@H]1CN(Cc2cc(-c3ccccc3)on2)C[C@@H]1C[NH3+] ZINC000631838605 367578543 /nfs/dbraw/zinc/57/85/43/367578543.db2.gz RAZUBLGRRUYIHI-JSGCOSHPSA-N 1 0 271.364 2.368 10 0 CEAERO CC[C@@H]1CN(Cc2c(F)cccc2F)CC[N@@H+]1C[C@H](C)O ZINC000245748671 370869080 /nfs/dbraw/zinc/86/90/80/370869080.db2.gz NHVAHGSAKSBEHT-QWHCGFSZSA-N 1 0 298.377 2.242 10 0 CEAERO CCc1ccc(CN2CC[N@H+](C[C@H](C)O)[C@@H](CC)C2)o1 ZINC000245783936 370872909 /nfs/dbraw/zinc/87/29/09/370872909.db2.gz UWVDNLCLKBILAT-KBPBESRZSA-N 1 0 280.412 2.119 10 0 CEAERO C[C@H]1C[N@H+](C[C@@H](O)COCc2ccccc2F)CCS1 ZINC000245809174 370874880 /nfs/dbraw/zinc/87/48/80/370874880.db2.gz FQFYQITZZUGSRF-GXTWGEPZSA-N 1 0 299.411 2.141 10 0 CEAERO Cc1cccc(CN2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c1C ZINC000245808388 370875086 /nfs/dbraw/zinc/87/50/86/370875086.db2.gz YZWFFBWRMPTIMC-LSDHHAIUSA-N 1 0 276.424 2.190 10 0 CEAERO Cc1cccc(CN2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c1C ZINC000245808383 370875665 /nfs/dbraw/zinc/87/56/65/370875665.db2.gz YZWFFBWRMPTIMC-CABCVRRESA-N 1 0 276.424 2.190 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)o1 ZINC000173464696 367912461 /nfs/dbraw/zinc/91/24/61/367912461.db2.gz CQRISHTUWIQZIB-KGLIPLIRSA-N 1 0 289.379 2.305 10 0 CEAERO CCc1cnc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)s1 ZINC000173473667 367914042 /nfs/dbraw/zinc/91/40/42/367914042.db2.gz YMIZJIPFOIUIRW-LLVKDONJSA-N 1 0 294.424 2.408 10 0 CEAERO Cc1cnn([C@@H]2CCC[N@@H+](CCC(=O)OC(C)C)C2)c1 ZINC000173699685 367935425 /nfs/dbraw/zinc/93/54/25/367935425.db2.gz XHALCHWCXQRSNN-CQSZACIVSA-N 1 0 279.384 2.170 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(OC)cc1 ZINC000175004413 368089536 /nfs/dbraw/zinc/08/95/36/368089536.db2.gz NLENPASEMQBVLU-HUUCEWRRSA-N 1 0 288.391 2.394 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1cccc(C)n1 ZINC000177402769 368266055 /nfs/dbraw/zinc/26/60/55/368266055.db2.gz IFCBEWISTSUZSB-OAHLLOKOSA-N 1 0 290.411 2.016 10 0 CEAERO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)CCCO2 ZINC000180497527 368384388 /nfs/dbraw/zinc/38/43/88/368384388.db2.gz AEJMUTORNYENHP-ZBFHGGJFSA-N 1 0 290.407 2.129 10 0 CEAERO 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C[NH+](C)[C@H]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC000195222931 370115237 /nfs/dbraw/zinc/11/52/37/370115237.db2.gz ILOPPESITFAGIW-SOUVJXGZSA-N 1 0 291.370 2.027 10 0 CEAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)C1CCC(F)(F)CC1 ZINC000353244566 370093204 /nfs/dbraw/zinc/09/32/04/370093204.db2.gz ALMVTRNBMLFIGO-DGCLKSJQSA-N 1 0 276.371 2.121 10 0 CEAERO CCCCOC[C@@H](O)C[N@H+](C[C@@H](C)O)C1CCCCC1 ZINC000195175764 370111822 /nfs/dbraw/zinc/11/18/22/370111822.db2.gz NMWGSBUDQVNUEE-ZBFHGGJFSA-N 1 0 287.444 2.180 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1cscc1Cl ZINC000637849740 370117416 /nfs/dbraw/zinc/11/74/16/370117416.db2.gz HUAFZDQDTPQVNG-XVKPBYJWSA-N 1 0 258.774 2.259 10 0 CEAERO C[C@](O)(C[NH+]1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000195309807 370123782 /nfs/dbraw/zinc/12/37/82/370123782.db2.gz LWVXJSCBQKCJAO-SFHVURJKSA-N 1 0 297.402 2.111 10 0 CEAERO CC(C)CC[C@@H]([NH3+])C(=O)Nc1nnc(CC(C)C)s1 ZINC000637873838 370138140 /nfs/dbraw/zinc/13/81/40/370138140.db2.gz 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WFDFJXPMEJGAID-DZGCQCFKSA-N 1 0 275.396 2.088 10 0 CEAERO CCN1CC[C@@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000389517882 375306371 /nfs/dbraw/zinc/30/63/71/375306371.db2.gz GKCZUQJLIQSKPJ-GFCCVEGCSA-N 1 0 296.798 2.295 10 0 CEAERO CC[N@@H+]1CC[C@H](NCc2cn3cc(Cl)ccc3n2)C1 ZINC000389515668 375306407 /nfs/dbraw/zinc/30/64/07/375306407.db2.gz FYKHXTNBXIGSMR-LBPRGKRZSA-N 1 0 278.787 2.172 10 0 CEAERO CCCCOC[C@H](O)C[NH2+]CC1(C2CC2)CCC1 ZINC000391468707 375318116 /nfs/dbraw/zinc/31/81/16/375318116.db2.gz JYBSDPVRZBGQEZ-CQSZACIVSA-N 1 0 255.402 2.334 10 0 CEAERO CCS(=O)(=O)c1ccc(N[C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000399139229 375358590 /nfs/dbraw/zinc/35/85/90/375358590.db2.gz UAUOTHGSKZEWRN-WCQYABFASA-N 1 0 282.409 2.033 10 0 CEAERO CCN1CCO[C@H](C[NH2+]Cc2csc(C)c2C)C1 ZINC000399883873 375370928 /nfs/dbraw/zinc/37/09/28/375370928.db2.gz LVEIFTQQSQBHII-CQSZACIVSA-N 1 0 268.426 2.175 10 0 CEAERO C[C@@H]1CCC[NH2+][C@H]1CCN1C(=O)c2ccccc2C1=O ZINC000404991514 375379643 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ZINC000302330809 379358259 /nfs/dbraw/zinc/35/82/59/379358259.db2.gz KTNMEMDNZPMCRD-UHFFFAOYSA-N 1 0 250.342 2.490 10 0 CEAERO CC[NH+](CC)[C@H]1CCN(C(=O)N[C@H](C)C(C)C)C1 ZINC000174745834 284828799 /nfs/dbraw/zinc/82/87/99/284828799.db2.gz BWODAHYCTFYYGB-OLZOCXBDSA-N 1 0 255.406 2.157 10 0 CEAERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)C(=O)N(C)C1CCCCC1 ZINC000183170133 542287047 /nfs/dbraw/zinc/28/70/47/542287047.db2.gz PCCHYOAKNSPMBC-KCQAQPDRSA-N 1 0 282.428 2.323 10 0 CEAERO CC1(C)CN(C(=O)NC[C@@H]2CCC(F)(F)C2)CC[C@H]1[NH3+] ZINC000334942227 207331077 /nfs/dbraw/zinc/33/10/77/207331077.db2.gz BFCZOXSNDDGHAP-GHMZBOCLSA-N 1 0 289.370 2.191 10 0 CEAERO CCCCCCOC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000037889839 184542901 /nfs/dbraw/zinc/54/29/01/184542901.db2.gz CGHMDBNRPNTWEY-ZNMIVQPWSA-N 1 0 273.417 2.101 10 0 CEAERO CC[C@H]1CCCC[C@H]1[NH2+][C@@H](C)CN1CCOCC1 ZINC000070978127 184572210 /nfs/dbraw/zinc/57/22/10/184572210.db2.gz SWBLZPWRRFSZHQ-SOUVJXGZSA-N 1 0 254.418 2.266 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)N1CCc2ccccc2CC1 ZINC000079572172 184592822 /nfs/dbraw/zinc/59/28/22/184592822.db2.gz IZRDRYCKVSDAMQ-CQSZACIVSA-N 1 0 272.392 2.004 10 0 CEAERO CC1(C(=O)N2CCc3ccccc3CC2)CC[NH2+]CC1 ZINC000079572243 184593428 /nfs/dbraw/zinc/59/34/28/184593428.db2.gz JZZPPDJFIWOEGG-UHFFFAOYSA-N 1 0 272.392 2.004 10 0 CEAERO C[NH2+][C@H](C)c1ccc(SC[C@@H](O)COC)cc1 ZINC000079580097 184594163 /nfs/dbraw/zinc/59/41/63/184594163.db2.gz CFBIHVQDCJQMOC-PWSUYJOCSA-N 1 0 255.383 2.066 10 0 CEAERO COc1ccc2[nH]c(S[C@@H](C)[C@@H](C)[NH3+])nc2c1 ZINC000081866034 184598723 /nfs/dbraw/zinc/59/87/23/184598723.db2.gz NCZFFZVMKLCKCN-SFYZADRCSA-N 1 0 251.355 2.399 10 0 CEAERO [NH3+]C[C@@H](CCC(=O)NC1CC1)c1ccccc1Cl ZINC000076703905 184590305 /nfs/dbraw/zinc/59/03/05/184590305.db2.gz MANJSOGKBPKTBP-SNVBAGLBSA-N 1 0 266.772 2.441 10 0 CEAERO CCCCCNC(=O)[C@H](C)OC1(C[NH3+])CCCCC1 ZINC000086711361 184610345 /nfs/dbraw/zinc/61/03/45/184610345.db2.gz AAMVGYDMQNIXKB-ZDUSSCGKSA-N 1 0 270.417 2.360 10 0 CEAERO CCC[C@H](C)N(C)S(=O)(=O)c1ccsc1C[NH2+]C ZINC000088964599 184615635 /nfs/dbraw/zinc/61/56/35/184615635.db2.gz AUOVWKAJPRPVKH-JTQLQIEISA-N 1 0 290.454 2.277 10 0 CEAERO Cc1cc2c(n1CCC(=O)NC1CC1)CC(C)(C)C[C@@H]2[NH3+] ZINC000092997629 184641201 /nfs/dbraw/zinc/64/12/01/184641201.db2.gz MJUAEIJKYPIGKJ-AWEZNQCLSA-N 1 0 289.423 2.437 10 0 CEAERO CCOc1ccccc1[C@H](C)[NH2+]CCC(=O)NC1CC1 ZINC000092986160 184641305 /nfs/dbraw/zinc/64/13/05/184641305.db2.gz WRGHEFWUJPRAIE-LBPRGKRZSA-N 1 0 276.380 2.405 10 0 CEAERO COc1ccc(CC[C@H](C)[NH2+]CCC(=O)NC2CC2)cc1 ZINC000092986234 184641424 /nfs/dbraw/zinc/64/14/24/184641424.db2.gz PGUNJYOVLQUARG-ZDUSSCGKSA-N 1 0 290.407 2.275 10 0 CEAERO CC(C)C[NH2+]C[C@@H]1CCCO[C@H]1[C@@H]1CCCOC1 ZINC000092887906 184633724 /nfs/dbraw/zinc/63/37/24/184633724.db2.gz UYUIQYQFMPMXKA-RRFJBIMHSA-N 1 0 255.402 2.454 10 0 CEAERO CCOc1ccc([C@H]2OCC[C@H]2C[NH2+]CCOC)cc1 ZINC000092882230 184633734 /nfs/dbraw/zinc/63/37/34/184633734.db2.gz FRUHFJHFPFUEGR-GOEBONIOSA-N 1 0 279.380 2.399 10 0 CEAERO COC(=O)[C@H](C)[C@H](C)[NH2+]Cc1ccc(F)cc1F ZINC000093028828 184643741 /nfs/dbraw/zinc/64/37/41/184643741.db2.gz PDWYXIBCQHLHBQ-BDAKNGLRSA-N 1 0 257.280 2.252 10 0 CEAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1c2nsnc2ccc1Cl ZINC000092957359 184637430 /nfs/dbraw/zinc/63/74/30/184637430.db2.gz KDJZPEMVUBYZMI-BQBZGAKWSA-N 1 0 296.783 2.281 10 0 CEAERO COC(=O)c1ccc(Cl)cc1N[C@H]1CC[C@@H]([NH3+])C1 ZINC000093206129 184655145 /nfs/dbraw/zinc/65/51/45/184655145.db2.gz FVFFNTZPVHECAV-ZJUUUORDSA-N 1 0 268.744 2.418 10 0 CEAERO CCOCCC[NH2+][C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000093205305 184655210 /nfs/dbraw/zinc/65/52/10/184655210.db2.gz DHXQBXIMWNYNLK-OLZOCXBDSA-N 1 0 286.416 2.448 10 0 CEAERO [NH3+][C@H]1CCC[C@H](Nc2cccc(C(=O)NC3CC3)c2)C1 ZINC000093210248 184655663 /nfs/dbraw/zinc/65/56/63/184655663.db2.gz VJNFWYYCEOZWRI-WFASDCNBSA-N 1 0 273.380 2.261 10 0 CEAERO COCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000093208663 184655764 /nfs/dbraw/zinc/65/57/64/184655764.db2.gz IPZQUCFTKQDSCO-AVGNSLFASA-N 1 0 286.416 2.447 10 0 CEAERO CCC[NH2+]CCCCS(=O)(=O)N(CC)C[C@@H](C)CC ZINC000093265868 184659854 /nfs/dbraw/zinc/65/98/54/184659854.db2.gz RVPXIEWNAHDTHX-AWEZNQCLSA-N 1 0 292.489 2.464 10 0 CEAERO COC[C@H](C)C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000176539883 532959243 /nfs/dbraw/zinc/95/92/43/532959243.db2.gz KFLXFNBZVLHFFX-AWEZNQCLSA-N 1 0 284.444 2.143 10 0 CEAERO Cc1nc(-c2ccccc2N[C@@H]2CCC[C@H]([NH3+])C2)n[nH]1 ZINC000093212332 184656247 /nfs/dbraw/zinc/65/62/47/184656247.db2.gz JQORVQDIRJFBFU-NWDGAFQWSA-N 1 0 271.368 2.462 10 0 CEAERO CCNC(=O)c1cccc(N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000093211535 184656252 /nfs/dbraw/zinc/65/62/52/184656252.db2.gz PWBCOZCIYKKWGE-OCCSQVGLSA-N 1 0 261.369 2.118 10 0 CEAERO [NH3+]CCOCC(=O)Nc1ccccc1Cc1ccccc1 ZINC000093230510 184657145 /nfs/dbraw/zinc/65/71/45/184657145.db2.gz ALDLSQOUJZERNH-UHFFFAOYSA-N 1 0 284.359 2.191 10 0 CEAERO C[C@@H](NC(=O)COCC[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000093231867 184657200 /nfs/dbraw/zinc/65/72/00/184657200.db2.gz VPBQKRORUZWCON-MRVPVSSYSA-N 1 0 291.178 2.146 10 0 CEAERO CC1(C)CN(C(=O)c2ccn(C3CCCC3)n2)CC[C@@H]1[NH3+] ZINC000335050890 207542845 /nfs/dbraw/zinc/54/28/45/207542845.db2.gz HNRCBLWSXKMWKG-AWEZNQCLSA-N 1 0 290.411 2.198 10 0 CEAERO C[C@@H](NC(=O)CCC[NH3+])c1cccc(Br)c1 ZINC000037006709 533059109 /nfs/dbraw/zinc/05/91/09/533059109.db2.gz BNBQFSLFGWYZFC-SECBINFHSA-N 1 0 285.185 2.365 10 0 CEAERO Cc1cnc(CCN2C[C@H]3CCC[N@H+]3C[C@H]2C)c(C)c1 ZINC000335434852 208449622 /nfs/dbraw/zinc/44/96/22/208449622.db2.gz KUNOFXQZRKAFFZ-HZPDHXFCSA-N 1 0 273.424 2.409 10 0 CEAERO O=[S@@](C[C@@H]1CCCC[NH2+]1)c1nc2ccccc2o1 ZINC000095073500 285191158 /nfs/dbraw/zinc/19/11/58/285191158.db2.gz MNYXXQCZSJXPCO-XTZNXHDOSA-N 1 0 264.350 2.078 10 0 CEAERO CCN(CC)C(=O)[C@H](C)[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC1=O ZINC000093490880 184683652 /nfs/dbraw/zinc/68/36/52/184683652.db2.gz SJGFQLYKSRMGOS-SOUVJXGZSA-N 1 0 294.439 2.467 10 0 CEAERO COC(=O)[C@H](N[C@H](C)C[C@@H]1CCCCC[NH2+]1)C(C)C ZINC000093514787 184686443 /nfs/dbraw/zinc/68/64/43/184686443.db2.gz NVVOSTSXBDITLU-HZSPNIEDSA-N 1 0 270.417 2.084 10 0 CEAERO CCCN1C(=[NH2+])NC[C@@H]1c1cc(Cl)c2c(c1)OCCO2 ZINC000093373381 184668007 /nfs/dbraw/zinc/66/80/07/184668007.db2.gz BKULXWLZZRBBIX-LLVKDONJSA-N 1 0 295.770 2.193 10 0 CEAERO CCCN1C(=[NH2+])NC[C@]1(C)Cc1ccc(OC)cc1 ZINC000093373192 184668113 /nfs/dbraw/zinc/66/81/13/184668113.db2.gz XVHNUAYMDJQHSF-HNNXBMFYSA-N 1 0 261.369 2.037 10 0 CEAERO C[C@]1(C2CCCCC2)C[NH+]=C(N)N1C[C@@H]1CCCO1 ZINC000093378415 184668782 /nfs/dbraw/zinc/66/87/82/184668782.db2.gz LZUUSVSTZXCAKN-DZGCQCFKSA-N 1 0 265.401 2.135 10 0 CEAERO C[C@@H](C[C@@H]1CCCC[NH2+]1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000093473339 184680629 /nfs/dbraw/zinc/68/06/29/184680629.db2.gz VQAWJAICPVLLDK-QWRGUYRKSA-N 1 0 274.368 2.189 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@@H]1S(=O)(=O)Cc1ccccc1 ZINC000081923741 177897773 /nfs/dbraw/zinc/89/77/73/177897773.db2.gz IKGIUASLAVNJPF-KGLIPLIRSA-N 1 0 267.394 2.261 10 0 CEAERO COc1cccc(S(=O)(=O)[C@H]2CC(C)(C)CC[C@H]2[NH3+])c1 ZINC000081923593 177897280 /nfs/dbraw/zinc/89/72/80/177897280.db2.gz GUTRCYBXGKGUIS-KGLIPLIRSA-N 1 0 297.420 2.375 10 0 CEAERO [NH3+][C@@H](CSC1CCOCC1)c1ccc2c(c1)OCO2 ZINC000081891889 177879596 /nfs/dbraw/zinc/87/95/96/177879596.db2.gz WZNQYLUJWRUTGZ-LBPRGKRZSA-N 1 0 281.377 2.327 10 0 CEAERO CCC[NH2+][C@@H]1CCCCC[C@H]1Sc1n[nH]c(=O)n1CC ZINC000081879797 177874313 /nfs/dbraw/zinc/87/43/13/177874313.db2.gz UWXSCWGTELQNGD-VXGBXAGGSA-N 1 0 298.456 2.384 10 0 CEAERO [NH3+][C@H]1c2ccccc2C[C@@H]1Sc1ncnc2[nH]cnc21 ZINC000081876462 177871149 /nfs/dbraw/zinc/87/11/49/177871149.db2.gz BBVKGZAZEVQNAN-QWRGUYRKSA-N 1 0 283.360 2.070 10 0 CEAERO CCc1ccc([C@H]([NH3+])CSCC(=O)OC)cc1 ZINC000081792725 177860636 /nfs/dbraw/zinc/86/06/36/177860636.db2.gz DYIDCIUVVBOHPC-GFCCVEGCSA-N 1 0 253.367 2.155 10 0 CEAERO CCOc1ccc([C@H]([NH3+])CSCCC(=O)OC)cc1 ZINC000081789799 177859592 /nfs/dbraw/zinc/85/95/92/177859592.db2.gz VUVKDWIKKWDKRV-CYBMUJFWSA-N 1 0 283.393 2.381 10 0 CEAERO CC(C)(C)[NH2+]CC1(CN2CCn3cnnc3C2)CCCC1 ZINC000081542015 177813585 /nfs/dbraw/zinc/81/35/85/177813585.db2.gz JKQVQRFUCVSEIS-UHFFFAOYSA-N 1 0 291.443 2.042 10 0 CEAERO CCC(CC)N1C(=O)C[C@H]([NH2+]C[C@H](C)C(C)C)C1=O ZINC000081050247 177762029 /nfs/dbraw/zinc/76/20/29/177762029.db2.gz QEICSXIYJFKVRA-AAEUAGOBSA-N 1 0 268.401 2.184 10 0 CEAERO CN(C)C(=O)COC[C@]12CCC[C@H]1C[N@@H+](C1CCCC1)C2 ZINC000248007531 256693652 /nfs/dbraw/zinc/69/36/52/256693652.db2.gz OSMRJBHVOPWDHG-WMLDXEAASA-N 1 0 294.439 2.136 10 0 CEAERO CN(Cc1ccsc1)C(=O)[C@@H]1CCCCC[NH2+]1 ZINC000080993946 177749655 /nfs/dbraw/zinc/74/96/55/177749655.db2.gz JYIOTYJQGBYWFV-LBPRGKRZSA-N 1 0 252.383 2.239 10 0 CEAERO CCC[C@H](C)NC(=O)Cn1ccc2c1cccc2C[NH3+] ZINC000080335233 177643305 /nfs/dbraw/zinc/64/33/05/177643305.db2.gz YMXQQUVFZKUNAN-LBPRGKRZSA-N 1 0 273.380 2.405 10 0 CEAERO CCC[NH+](CCC)[C@@H]1CC[C@@](NC)(C(=O)OCC)C1 ZINC000093823646 184725663 /nfs/dbraw/zinc/72/56/63/184725663.db2.gz OCWUSAUPAXUHNI-HIFRSBDPSA-N 1 0 270.417 2.182 10 0 CEAERO CCOC(=O)[C@]1([NH3+])CC[C@@H](Oc2ccc(C)c(C)c2)C1 ZINC000093845839 184731741 /nfs/dbraw/zinc/73/17/41/184731741.db2.gz BEKGHPDMWNWCEG-ZBFHGGJFSA-N 1 0 277.364 2.495 10 0 CEAERO C[C@@H](C[NH2+]CC(C)(C)S(C)(=O)=O)c1ccccc1 ZINC000093522948 184687541 /nfs/dbraw/zinc/68/75/41/184687541.db2.gz AAIRXIIZLWAKJV-LBPRGKRZSA-N 1 0 269.410 2.203 10 0 CEAERO CC[NH2+][C@]1(CO)CCC[C@H]1CCn1nc(C)c(C)c1C ZINC000093618883 184696527 /nfs/dbraw/zinc/69/65/27/184696527.db2.gz BOTXMCAGRMKJQV-HOTGVXAUSA-N 1 0 279.428 2.339 10 0 CEAERO CCc1cccc(OCC[C@@H]2CCC[C@@]2([NH3+])C(N)=O)c1 ZINC000093621027 184697456 /nfs/dbraw/zinc/69/74/56/184697456.db2.gz SLEQMTPZNCOGOZ-BBRMVZONSA-N 1 0 276.380 2.001 10 0 CEAERO CC(C)[NH2+][C@]1(CO)CCC[C@H]1CCSc1cnccn1 ZINC000093622269 184697630 /nfs/dbraw/zinc/69/76/30/184697630.db2.gz IEASVRYBSROXOV-ZFWWWQNUSA-N 1 0 295.452 2.488 10 0 CEAERO C[NH2+][C@]1(CO)CCC[C@H]1CCSc1nnc(C)s1 ZINC000093623019 184697648 /nfs/dbraw/zinc/69/76/48/184697648.db2.gz ORSMUVADTJOUAW-JQWIXIFHSA-N 1 0 287.454 2.079 10 0 CEAERO CC[NH2+][C@@H]1CCC[C@@H]1CCS(=O)(=O)CC(C)C ZINC000093623163 184697969 /nfs/dbraw/zinc/69/79/69/184697969.db2.gz RQNBGOFIEIMNHH-CHWSQXEVSA-N 1 0 261.431 2.226 10 0 CEAERO CCOc1ccccc1OCC[C@H]1CCC[C@@]1(O)C[NH3+] ZINC000093627952 184698873 /nfs/dbraw/zinc/69/88/73/184698873.db2.gz ALBQOFIJVFJRAN-CZUORRHYSA-N 1 0 279.380 2.344 10 0 CEAERO CCC[NH2+][C@@]1(CO)CCC[C@H](Sc2ccncn2)C1 ZINC000093786290 184722101 /nfs/dbraw/zinc/72/21/01/184722101.db2.gz VJODWACISRIECL-JSGCOSHPSA-N 1 0 281.425 2.242 10 0 CEAERO Cc1cc(C)cc([C@@H]([NH3+])[C@H]2CN(C(C)C)CCO2)c1 ZINC000093925420 184743626 /nfs/dbraw/zinc/74/36/26/184743626.db2.gz XDLWBZWOAWHQGO-HZPDHXFCSA-N 1 0 262.397 2.412 10 0 CEAERO COc1ccc(C(=O)NCC[N@H+](C)C2CCCC2)cc1O ZINC000093954452 184745527 /nfs/dbraw/zinc/74/55/27/184745527.db2.gz XCIBIPSPQXTKQL-UHFFFAOYSA-N 1 0 292.379 2.005 10 0 CEAERO Cc1cc(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])ncc1Br ZINC000094063581 184752968 /nfs/dbraw/zinc/75/29/68/184752968.db2.gz NETDOTCNGKBPSP-SCZZXKLOSA-N 1 0 298.184 2.218 10 0 CEAERO CC[NH2+][C@@H](c1ncccn1)[C@@H]1CCc2cccnc21 ZINC000094116573 184755788 /nfs/dbraw/zinc/75/57/88/184755788.db2.gz ZROAWHZWTKBSRN-TZMCWYRMSA-N 1 0 254.337 2.252 10 0 CEAERO CCn1c(C[C@@]2([NH3+])CCCOC2)nc2ccccc21 ZINC000094169061 184758466 /nfs/dbraw/zinc/75/84/66/184758466.db2.gz AZMGVJYTQLRULB-HNNXBMFYSA-N 1 0 259.353 2.107 10 0 CEAERO CC[C@](C)([C@H](Cc1nc2ccccc2n1C)[NH2+]C)N(C)C ZINC000094171868 184759174 /nfs/dbraw/zinc/75/91/74/184759174.db2.gz XNIHVCWIPMLBLC-DOTOQJQBSA-N 1 0 288.439 2.434 10 0 CEAERO CCCn1c(C[C@H]([NH3+])CCOC)nc2ccccc21 ZINC000094170952 184759292 /nfs/dbraw/zinc/75/92/92/184759292.db2.gz APMXHGOEUZOYSA-GFCCVEGCSA-N 1 0 261.369 2.353 10 0 CEAERO CC(C)CCOCCOc1ccc(C[C@@H](C)[NH3+])nc1 ZINC000094215458 184763630 /nfs/dbraw/zinc/76/36/30/184763630.db2.gz QPXUTEUBKADGLP-CYBMUJFWSA-N 1 0 266.385 2.413 10 0 CEAERO CCC(CC)NC(=O)COc1ccc(C[C@H]([NH3+])CC)nc1 ZINC000094216173 184764136 /nfs/dbraw/zinc/76/41/36/184764136.db2.gz DGHHMCDNBIRTNC-GFCCVEGCSA-N 1 0 293.411 2.045 10 0 CEAERO O[C@]1(Cc2nc(-c3ccccc3)cs2)CCC[NH2+]C1 ZINC000094254165 184770369 /nfs/dbraw/zinc/77/03/69/184770369.db2.gz DGNZJGWWFWCMIX-HNNXBMFYSA-N 1 0 274.389 2.467 10 0 CEAERO CC(C)(C)c1csc(C[C@@H]([NH3+])[C@@H]2CCCO2)n1 ZINC000094256545 184770616 /nfs/dbraw/zinc/77/06/16/184770616.db2.gz PYAFQPXPRQYECO-ZJUUUORDSA-N 1 0 254.399 2.489 10 0 CEAERO CC[NH2+]C[C@H](C)Cc1c(C)nn(-c2ccncn2)c1C ZINC000094259449 184771204 /nfs/dbraw/zinc/77/12/04/184771204.db2.gz AOXPQAKUXXQYAF-LLVKDONJSA-N 1 0 273.384 2.067 10 0 CEAERO CC[NH2+][C@H]1[C@H](Sc2n[nH]c(=O)n2CC)CCCC1(C)C ZINC000094283900 184774917 /nfs/dbraw/zinc/77/49/17/184774917.db2.gz ZNRGGRAUSLLGDX-MNOVXSKESA-N 1 0 298.456 2.240 10 0 CEAERO C[C@]1([NH2+][C@H]2CCCCC2(C)C)CCS(=O)(=O)C1 ZINC000094276203 184775268 /nfs/dbraw/zinc/77/52/68/184775268.db2.gz IHXFGPGVVLTZEO-AAEUAGOBSA-N 1 0 259.415 2.122 10 0 CEAERO CC1(C)CCCC[C@]1(C[NH3+])N1CCN(C2CC2)CC1 ZINC000094280690 184775363 /nfs/dbraw/zinc/77/53/63/184775363.db2.gz GGAPVHWHWCUWNP-MRXNPFEDSA-N 1 0 265.445 2.064 10 0 CEAERO CCCn1c(=O)[nH]nc1S[C@H]1CCCC(C)(C)[C@@H]1[NH2+]C ZINC000094283868 184775392 /nfs/dbraw/zinc/77/53/92/184775392.db2.gz FPRIQKUKOOZRSX-WDEREUQCSA-N 1 0 298.456 2.240 10 0 CEAERO [NH3+]C1(CC(=O)N[C@H]2CCCC[C@H]2C(F)(F)F)CCC1 ZINC000094294156 184777139 /nfs/dbraw/zinc/77/71/39/184777139.db2.gz CMHJMZNHKQYTSD-ZJUUUORDSA-N 1 0 278.318 2.495 10 0 CEAERO O=C(CCCN1CC[N@@H+]2CCC[C@@H]2C1)c1cccs1 ZINC000094462645 184805100 /nfs/dbraw/zinc/80/51/00/184805100.db2.gz WNNXYCVPXOPEGF-CYBMUJFWSA-N 1 0 278.421 2.491 10 0 CEAERO CCCCOC(=O)COc1c(F)cc(C[NH3+])cc1F ZINC000094346120 184786545 /nfs/dbraw/zinc/78/65/45/184786545.db2.gz PXMAQKAKVMNXPB-UHFFFAOYSA-N 1 0 273.279 2.146 10 0 CEAERO CC(C)N(CC[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1)C(C)C ZINC000094365078 184789640 /nfs/dbraw/zinc/78/96/40/184789640.db2.gz QACRQZQVSSHONS-CVEARBPZSA-N 1 0 284.444 2.033 10 0 CEAERO CC(C)C[C@](C)(O)C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000094374720 184790790 /nfs/dbraw/zinc/79/07/90/184790790.db2.gz DFGPRGFZMSFIKH-CABCVRRESA-N 1 0 285.428 2.101 10 0 CEAERO C[NH2+]CC1CC(O[C@@H]2CCO[C@]3(CCSC3)C2)C1 ZINC000094381323 184791776 /nfs/dbraw/zinc/79/17/76/184791776.db2.gz ISUYHPJMPFZCOM-FKZOYECMSA-N 1 0 271.426 2.056 10 0 CEAERO CCSC[C@H]([NH2+]C)[C@@H]1CCOC2(CCOCC2)C1 ZINC000094404043 184793392 /nfs/dbraw/zinc/79/33/92/184793392.db2.gz SAXXNXPTKAPASI-OLZOCXBDSA-N 1 0 273.442 2.303 10 0 CEAERO CC[NH2+][C@@H](C1CC1)[C@H]1CCOC2(CCOCC2)C1 ZINC000094399791 184793595 /nfs/dbraw/zinc/79/35/95/184793595.db2.gz TXVZZVSLNWBLGR-KBPBESRZSA-N 1 0 253.386 2.350 10 0 CEAERO CCCO[C@@H]1CCCN(C(=O)[C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000094752382 184853172 /nfs/dbraw/zinc/85/31/72/184853172.db2.gz RXNCSJYSPOUKHL-ILXRZTDVSA-N 1 0 282.428 2.312 10 0 CEAERO CC[NH2+][C@H](C)c1cc(F)c(C)cc1-n1cc(C(N)=O)cn1 ZINC000094767224 184856038 /nfs/dbraw/zinc/85/60/38/184856038.db2.gz QXDWWPJKHINBAV-SNVBAGLBSA-N 1 0 290.342 2.089 10 0 CEAERO CCC1(CC)CCN(C(=O)[C@@]2(CC)CC[NH2+]C2)C1 ZINC000094802387 184868465 /nfs/dbraw/zinc/86/84/65/184868465.db2.gz HQANXOLVORGXFV-HNNXBMFYSA-N 1 0 252.402 2.415 10 0 CEAERO C[C@H](Cn1cccn1)[NH2+][C@@H]1CSCCC1(C)C ZINC000094483088 184808510 /nfs/dbraw/zinc/80/85/10/184808510.db2.gz NKLATZDSYHQNNT-VXGBXAGGSA-N 1 0 253.415 2.393 10 0 CEAERO C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CSCCC1(C)C ZINC000094483318 184808824 /nfs/dbraw/zinc/80/88/24/184808824.db2.gz NMSIZZUGTICZKT-VXGBXAGGSA-N 1 0 270.442 2.119 10 0 CEAERO CC1(C)CSC[C@@](O)(Cc2c[nH+]ccc2N)C1 ZINC000094490740 184809119 /nfs/dbraw/zinc/80/91/19/184809119.db2.gz OLJGFTDIWUKUTE-CYBMUJFWSA-N 1 0 252.383 2.101 10 0 CEAERO CNC(=O)[C@H](CC(C)C)[NH2+][C@H]1CSCC(C)(C)C1 ZINC000094488129 184809497 /nfs/dbraw/zinc/80/94/97/184809497.db2.gz NLOYOVZLBDYQMD-NEPJUHHUSA-N 1 0 272.458 2.268 10 0 CEAERO CCC[NH2+][C@@H](c1ccccc1C)[C@H]1CN2CCN1CC2 ZINC000094510470 184812119 /nfs/dbraw/zinc/81/21/19/184812119.db2.gz PJSQTYVHIHPYIA-SJORKVTESA-N 1 0 273.424 2.036 10 0 CEAERO CCc1nc([C@@H]2CSCCO2)nc(CC)c1CC[NH2+]C ZINC000094505527 184812301 /nfs/dbraw/zinc/81/23/01/184812301.db2.gz LFKDHEPTDRKTOL-AWEZNQCLSA-N 1 0 295.452 2.168 10 0 CEAERO O=S1(=O)CCC([NH2+]Cc2ccccc2C2CC2)CC1 ZINC000094518376 184813156 /nfs/dbraw/zinc/81/31/56/184813156.db2.gz MBNUOLPJLJOLJI-UHFFFAOYSA-N 1 0 279.405 2.231 10 0 CEAERO C[C@@H]1C[C@@H]([NH3+])CN(Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000094552743 184816401 /nfs/dbraw/zinc/81/64/01/184816401.db2.gz XKGJRVBYPNQTJF-ZYHUDNBSSA-N 1 0 296.798 2.280 10 0 CEAERO CC(C)CSCc1noc([C@@H]2CC[C@H](C[NH3+])O2)n1 ZINC000094561105 184818703 /nfs/dbraw/zinc/81/87/03/184818703.db2.gz CCWBSDAVCZAHDW-ZJUUUORDSA-N 1 0 271.386 2.138 10 0 CEAERO CCCc1ccc(NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc1 ZINC000094565118 184818973 /nfs/dbraw/zinc/81/89/73/184818973.db2.gz KEBHWLRZFDGQRU-KGLIPLIRSA-N 1 0 262.353 2.084 10 0 CEAERO C[NH2+][C@H]1CCC2(C[C@@H]1Sc1ccncc1)OCCO2 ZINC000094615983 184826396 /nfs/dbraw/zinc/82/63/96/184826396.db2.gz YBAQQVULIMDIOX-STQMWFEESA-N 1 0 280.393 2.057 10 0 CEAERO C[NH2+][C@H]1CCC[C@H]1CCS(=O)(=O)c1cccc(F)c1 ZINC000094625032 184828905 /nfs/dbraw/zinc/82/89/05/184828905.db2.gz VKRDEGQMFJOPEF-FZMZJTMJSA-N 1 0 285.384 2.378 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1cccc(F)c1F ZINC000094647381 184833109 /nfs/dbraw/zinc/83/31/09/184833109.db2.gz GMCTWZJNPQRSAM-IUCAKERBSA-N 1 0 254.280 2.291 10 0 CEAERO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000094647832 184834265 /nfs/dbraw/zinc/83/42/65/184834265.db2.gz GKHKNLAQLISDBI-NXEZZACHSA-N 1 0 266.307 2.175 10 0 CEAERO CCC[NH2+][C@@H](c1cc(OC)cc(OC)c1)[C@H]1COCCO1 ZINC000094651361 184834738 /nfs/dbraw/zinc/83/47/38/184834738.db2.gz KMNXALSWEMOXIZ-CVEARBPZSA-N 1 0 295.379 2.160 10 0 CEAERO COCC[NH2+][C@@H](C)[C@H](C)c1ccc2c(c1)OCCO2 ZINC000094656342 184835779 /nfs/dbraw/zinc/83/57/79/184835779.db2.gz IIXASAZQHFUIAQ-RYUDHWBXSA-N 1 0 265.353 2.186 10 0 CEAERO COc1ccc([C@H]2C[C@]2(C[NH3+])CO)c2ccccc12 ZINC000094693344 184841084 /nfs/dbraw/zinc/84/10/84/184841084.db2.gz ATWFSLUFSOOLNA-ZBFHGGJFSA-N 1 0 257.333 2.273 10 0 CEAERO CC(C)C[C@H](C[NH3+])C(=O)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000094697648 184841433 /nfs/dbraw/zinc/84/14/33/184841433.db2.gz ZSTIIXSQNJZYGA-DGCLKSJQSA-N 1 0 292.379 2.214 10 0 CEAERO CC(C)C[C@H](C[NH3+])C(=O)NCc1cccc(F)c1 ZINC000094697026 184841508 /nfs/dbraw/zinc/84/15/08/184841508.db2.gz FBDATINGLQDEFL-GFCCVEGCSA-N 1 0 252.333 2.063 10 0 CEAERO O=C(Cc1cccc(F)c1F)N[C@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000094712042 184845828 /nfs/dbraw/zinc/84/58/28/184845828.db2.gz TVFOAMVBXVNCGU-XQQFMLRXSA-N 1 0 294.345 2.012 10 0 CEAERO CCN(c1cc([C@@H](C)[NH2+]C)ccn1)[C@@H](C)COC ZINC000094999211 184912468 /nfs/dbraw/zinc/91/24/68/184912468.db2.gz SWKIQOYMUMXJFS-NWDGAFQWSA-N 1 0 251.374 2.223 10 0 CEAERO C[C@H](O)c1ccnc(N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000095003471 184913420 /nfs/dbraw/zinc/91/34/20/184913420.db2.gz QYMYNRJMLSWXFA-DZGCQCFKSA-N 1 0 275.396 2.200 10 0 CEAERO CC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1cccnc1OC ZINC000095011609 184915685 /nfs/dbraw/zinc/91/56/85/184915685.db2.gz MTOORQWECKYQDP-WBVHZDCISA-N 1 0 289.423 2.443 10 0 CEAERO CC(C)(C(N)=O)n1c(N)[nH+]c2cc(Cl)c(Cl)cc21 ZINC000095025903 184917446 /nfs/dbraw/zinc/91/74/46/184917446.db2.gz APMWCOHDNAWZJC-UHFFFAOYSA-N 1 0 287.150 2.146 10 0 CEAERO CC(C)(C)[NH2+]CCc1nnc(C[C@@H]2CCCCO2)o1 ZINC000095033128 184919567 /nfs/dbraw/zinc/91/95/67/184919567.db2.gz WKIRMYPUXDHBAR-NSHDSACASA-N 1 0 267.373 2.112 10 0 CEAERO COC[C@@H](C)CC(=O)N1C[C@@H](CC[NH3+])c2ccccc21 ZINC000095036781 184920513 /nfs/dbraw/zinc/92/05/13/184920513.db2.gz CXWAZLOSLTWXJN-QWHCGFSZSA-N 1 0 276.380 2.138 10 0 CEAERO [NH3+]CCN(C(=O)Cc1ccc(F)c(F)c1)C1CCCC1 ZINC000095045583 184922947 /nfs/dbraw/zinc/92/29/47/184922947.db2.gz ASOFSLOZGJFFIS-UHFFFAOYSA-N 1 0 282.334 2.237 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@@H]1NC(=O)Cc1ccc(F)cc1F ZINC000095067635 184930408 /nfs/dbraw/zinc/93/04/08/184930408.db2.gz OEESIBUKLPNSJW-KGLIPLIRSA-N 1 0 282.334 2.284 10 0 CEAERO CN(Cc1cnc(Cl)nc1Cl)C[C@@H]1CCC[NH2+]C1 ZINC000095071144 184932671 /nfs/dbraw/zinc/93/26/71/184932671.db2.gz MGBGVWDRSCJGQF-SECBINFHSA-N 1 0 289.210 2.215 10 0 CEAERO CNc1nc2ccccc2nc1N(C)C[C@H]1CCCC[NH2+]1 ZINC000095071346 184933063 /nfs/dbraw/zinc/93/30/63/184933063.db2.gz PTBJOGDFUJARQX-GFCCVEGCSA-N 1 0 285.395 2.250 10 0 CEAERO CC(C)CCN(C(=O)[C@H]1CC[C@H](C[NH3+])O1)C1CCCC1 ZINC000094847906 184880373 /nfs/dbraw/zinc/88/03/73/184880373.db2.gz SBHZJTPSKDPALP-HUUCEWRRSA-N 1 0 282.428 2.310 10 0 CEAERO CCCN(c1ncnc2c1CCCC2)[C@@H]1CCC[NH2+]C1 ZINC000094872510 184885240 /nfs/dbraw/zinc/88/52/40/184885240.db2.gz UAMUVRDHJAHFNV-CYBMUJFWSA-N 1 0 274.412 2.324 10 0 CEAERO CCCN(C(=O)NC1CCCC1)[C@@](C)(CC)C[NH3+] ZINC000094890295 184888528 /nfs/dbraw/zinc/88/85/28/184888528.db2.gz LMXVSTYGVWNHES-AWEZNQCLSA-N 1 0 255.406 2.478 10 0 CEAERO CCN(Cc1ccccn1)C(=O)CCC[NH2+]C(C)C ZINC000094914811 184892341 /nfs/dbraw/zinc/89/23/41/184892341.db2.gz HNKOGXLVURKVSP-UHFFFAOYSA-N 1 0 263.385 2.208 10 0 CEAERO Cc1cccc(CN(C)c2cccc(F)c2C(N)=[NH2+])n1 ZINC000094916983 184892869 /nfs/dbraw/zinc/89/28/69/184892869.db2.gz MVSGLJYHEYYWTH-UHFFFAOYSA-N 1 0 272.327 2.450 10 0 CEAERO CC[NH+](CC)CCNC(=O)c1ccc(C)cc1NC ZINC000094919584 184894091 /nfs/dbraw/zinc/89/40/91/184894091.db2.gz IKDYNUPVLVPZKC-UHFFFAOYSA-N 1 0 263.385 2.108 10 0 CEAERO C[C@](O)(C1(C)CC1)[C@]1(C[NH3+])COc2ccccc2C1 ZINC000094955086 184902690 /nfs/dbraw/zinc/90/26/90/184902690.db2.gz JRIBMYVXGSMOLQ-JKSUJKDBSA-N 1 0 261.365 2.118 10 0 CEAERO c1csc(CN2CCC[C@H](C[NH2+]C3CC3)C2)n1 ZINC000094967541 184906854 /nfs/dbraw/zinc/90/68/54/184906854.db2.gz UEWVVQBXMFABEV-LLVKDONJSA-N 1 0 251.399 2.107 10 0 CEAERO C[NH2+]CCNC(=O)c1oc2c(cccc2Cl)c1C ZINC000237132384 131006636 /nfs/dbraw/zinc/00/66/36/131006636.db2.gz ZKGAKYQONQGHRV-UHFFFAOYSA-N 1 0 266.728 2.344 10 0 CEAERO C[C@@H]1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)[C@@H]1C ZINC000247003295 131098709 /nfs/dbraw/zinc/09/87/09/131098709.db2.gz RFAYVSSZLVTJSB-FMKPAKJESA-N 1 0 274.408 2.416 10 0 CEAERO C[C@H]1CN(Cc2cccc(Cl)n2)C[C@H]1[NH+](C)C ZINC000251923449 131131317 /nfs/dbraw/zinc/13/13/17/131131317.db2.gz YDBSIAZCUSJYLE-CMPLNLGQSA-N 1 0 253.777 2.117 10 0 CEAERO CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)[C@@H]([NH3+])C(C)C ZINC000262115133 131192191 /nfs/dbraw/zinc/19/21/91/131192191.db2.gz IHFVMMRBAJSGNI-DDTOSNHZSA-N 1 0 282.359 2.001 10 0 CEAERO C[C@@H](c1ccco1)N(C)C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262480640 131224875 /nfs/dbraw/zinc/22/48/75/131224875.db2.gz XWDKJWPXURGBHH-SRVKXCTJSA-N 1 0 250.342 2.187 10 0 CEAERO CC(C)[C@H]([NH3+])C(=O)NCC1(Cc2ccc(F)cc2)CC1 ZINC000262590119 131237287 /nfs/dbraw/zinc/23/72/87/131237287.db2.gz UPRRRGDRTZURQQ-AWEZNQCLSA-N 1 0 278.371 2.248 10 0 CEAERO Cc1ccccc1[C@H]1C[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262619407 131242442 /nfs/dbraw/zinc/24/24/42/131242442.db2.gz HRPQJFLHAXZRBQ-WTTBNOFXSA-N 1 0 284.403 2.451 10 0 CEAERO CCC[NH2+]Cc1ccccc1N1CCC[C@H](CO)C1 ZINC000036227816 134812817 /nfs/dbraw/zinc/81/28/17/134812817.db2.gz RDZCKKOAMIVEID-AWEZNQCLSA-N 1 0 262.397 2.395 10 0 CEAERO O=C1CCc2ccc(F)cc2N1CCC1CC[NH2+]CC1 ZINC000041671286 134884371 /nfs/dbraw/zinc/88/43/71/134884371.db2.gz RDTIRMUADMLTLH-UHFFFAOYSA-N 1 0 276.355 2.495 10 0 CEAERO CC[C@@H]([NH2+]C)[C@H](C)N1CCN(c2ccccc2OC)CC1 ZINC000043817858 134907338 /nfs/dbraw/zinc/90/73/38/134907338.db2.gz DYUMFBRNJQRKTB-LSDHHAIUSA-N 1 0 291.439 2.204 10 0 CEAERO [NH3+]CC1(C(=O)N2CCCc3ccccc32)CCCC1 ZINC000044753052 134911365 /nfs/dbraw/zinc/91/13/65/134911365.db2.gz HKNFZINMZZZBQX-UHFFFAOYSA-N 1 0 258.365 2.485 10 0 CEAERO C[C@@H]1CN(c2cc(Br)ccc2F)CC[NH2+]1 ZINC000083060789 135013323 /nfs/dbraw/zinc/01/33/23/135013323.db2.gz LOYPIGVJRKEYFD-MRVPVSSYSA-N 1 0 273.149 2.386 10 0 CEAERO C[C@@H]1C[NH2+]CCN1c1cccc(OC(F)(F)F)c1 ZINC000083433807 135020974 /nfs/dbraw/zinc/02/09/74/135020974.db2.gz QUOYVEJEUPZDIT-SECBINFHSA-N 1 0 260.259 2.383 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)N1CCCc2ccccc21 ZINC000085357101 135036556 /nfs/dbraw/zinc/03/65/56/135036556.db2.gz OZKWFFKOKQIOMK-KGLIPLIRSA-N 1 0 258.365 2.483 10 0 CEAERO C[C@H]1C[C@H]([NH3+])CN(c2ncccc2Br)C1 ZINC000087043197 135049014 /nfs/dbraw/zinc/04/90/14/135049014.db2.gz BMGNIHXVGRZHGY-IUCAKERBSA-N 1 0 270.174 2.018 10 0 CEAERO Fc1ccc(OCC2CCC2)c(N2CC[NH2+]CC2)c1 ZINC000088135496 135053132 /nfs/dbraw/zinc/05/31/32/135053132.db2.gz ORJQZNGOOGKYOA-UHFFFAOYSA-N 1 0 264.344 2.414 10 0 CEAERO [NH3+]Cc1cccc(N2CCC[C@H](C(F)(F)F)C2)n1 ZINC000088416164 135053943 /nfs/dbraw/zinc/05/39/43/135053943.db2.gz IBGWBEDYBVOGFJ-VIFPVBQESA-N 1 0 259.275 2.319 10 0 CEAERO CC[NH2+]C[C@@H]1CCCCN1c1cc(CC)nc(C)n1 ZINC000088760874 135057253 /nfs/dbraw/zinc/05/72/53/135057253.db2.gz JNJDHNAKQGEKJT-AWEZNQCLSA-N 1 0 262.401 2.316 10 0 CEAERO COc1cc(N2CCC[C@H](C[NH2+]C(C)(C)C)C2)nc(C)n1 ZINC000090787318 135064832 /nfs/dbraw/zinc/06/48/32/135064832.db2.gz YCVVQVBPCNTMOP-CYBMUJFWSA-N 1 0 292.427 2.398 10 0 CEAERO CCCOc1cc(N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ncn1 ZINC000090785122 135064849 /nfs/dbraw/zinc/06/48/49/135064849.db2.gz ZEJPWYLUYJYBIS-KBPBESRZSA-N 1 0 290.411 2.234 10 0 CEAERO CCOc1cc(N2CCC[C@@H](C[NH2+]C(C)C)C2)nc(C)n1 ZINC000090787855 135065664 /nfs/dbraw/zinc/06/56/64/135065664.db2.gz CYGNMTSUJMYKCD-AWEZNQCLSA-N 1 0 292.427 2.398 10 0 CEAERO C[C@@H]1CN(c2cc(C(F)(F)F)ccn2)C[C@@H](C)[NH2+]1 ZINC000090802708 135065852 /nfs/dbraw/zinc/06/58/52/135065852.db2.gz OMSZQEIIHGGABW-RKDXNWHRSA-N 1 0 259.275 2.287 10 0 CEAERO C[C@H]1CCc2ccccc2N1C(=O)C[C@H]1CSCC[NH2+]1 ZINC000091133882 135067138 /nfs/dbraw/zinc/06/71/38/135067138.db2.gz WCGSFLJALYTLAB-JSGCOSHPSA-N 1 0 290.432 2.449 10 0 CEAERO C[NH+](C)[C@H]1CCCN(c2ccc3ncccc3c2N)C1 ZINC000091393364 135068462 /nfs/dbraw/zinc/06/84/62/135068462.db2.gz BDFXFVCFZUGUBA-LBPRGKRZSA-N 1 0 270.380 2.347 10 0 CEAERO [NH3+]Cc1cncc(N2CCC(Cc3ccccc3)CC2)n1 ZINC000091419052 135069544 /nfs/dbraw/zinc/06/95/44/135069544.db2.gz XLAWYJTXBPAGDO-UHFFFAOYSA-N 1 0 282.391 2.394 10 0 CEAERO CCC[NH2+]Cc1cncc(N2C[C@@H](C)C[C@H](C)C2)n1 ZINC000091418846 135069554 /nfs/dbraw/zinc/06/95/54/135069554.db2.gz MILXMDZMTAHTQU-STQMWFEESA-N 1 0 262.401 2.459 10 0 CEAERO CC[NH2+]Cc1cncc(N2CCC[C@@H]3CCC[C@@H]32)n1 ZINC000091422048 135069809 /nfs/dbraw/zinc/06/98/09/135069809.db2.gz VHPYWDILLNUINR-JSGCOSHPSA-N 1 0 260.385 2.355 10 0 CEAERO C[NH2+]C[C@@H](C)[C@H](C)N1CCN(c2cccc(OC)c2)CC1 ZINC000093068623 135079020 /nfs/dbraw/zinc/07/90/20/135079020.db2.gz JNAOWJRRXDHMAB-CABCVRRESA-N 1 0 291.439 2.061 10 0 CEAERO [NH3+]Cc1c(F)cccc1N1CCCC[C@H]1CCO ZINC000093395184 135080495 /nfs/dbraw/zinc/08/04/95/135080495.db2.gz BLILXFXCXMGKNB-NSHDSACASA-N 1 0 252.333 2.026 10 0 CEAERO CC[C@H]1COCCN1c1nc(C(F)(F)F)ccc1C[NH3+] ZINC000094334139 135085998 /nfs/dbraw/zinc/08/59/98/135085998.db2.gz XMUBJBYXUADVMV-JTQLQIEISA-N 1 0 289.301 2.174 10 0 CEAERO CCc1cnc(CN2C[C@H]3CCCC[N@@H+]3C[C@H]2C)o1 ZINC000300404587 394454951 /nfs/dbraw/zinc/45/49/51/394454951.db2.gz GQHBQOMWSJHEKZ-CHWSQXEVSA-N 1 0 263.385 2.296 10 0 CEAERO [NH3+][C@@H]1CC[C@H](C(=O)N[C@@H]2CCCc3sccc32)C1 ZINC000227811647 394474366 /nfs/dbraw/zinc/47/43/66/394474366.db2.gz KZSXMDFPVZGYSL-HOSYDEDBSA-N 1 0 264.394 2.369 10 0 CEAERO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+][C@H]1CCc2ncnn2C1 ZINC000246473595 394516262 /nfs/dbraw/zinc/51/62/62/394516262.db2.gz QRCRMYXMLAKCTL-YIYPIFLZSA-N 1 0 262.401 2.397 10 0 CEAERO CCC[C@H](C)C[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000245873829 394505835 /nfs/dbraw/zinc/50/58/35/394505835.db2.gz SKOYCQKDSOWHIY-ZNMIVQPWSA-N 1 0 254.418 2.075 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)Cc2ccccc2F)C1 ZINC000052592407 394558051 /nfs/dbraw/zinc/55/80/51/394558051.db2.gz GTQULFJUIUULHF-CQSZACIVSA-N 1 0 293.386 2.451 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(Cl)ccn1 ZINC000246884292 394522841 /nfs/dbraw/zinc/52/28/41/394522841.db2.gz GFAGJUKPAOQGNK-OLZOCXBDSA-N 1 0 293.798 2.434 10 0 CEAERO CC[C@H](C)[C@H](C)NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247065915 394526218 /nfs/dbraw/zinc/52/62/18/394526218.db2.gz HJWDQMYYHMSGAP-XDQVBPFNSA-N 1 0 267.417 2.299 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(C)o1 ZINC000247067650 394526298 /nfs/dbraw/zinc/52/62/98/394526298.db2.gz XXCOUQDLMOIODY-OLZOCXBDSA-N 1 0 262.353 2.287 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(OC)cc2)C1 ZINC000048769219 394528883 /nfs/dbraw/zinc/52/88/83/394528883.db2.gz BGIAJPGGFUDEIE-CYBMUJFWSA-N 1 0 277.368 2.301 10 0 CEAERO CSC1CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000309868362 394532776 /nfs/dbraw/zinc/53/27/76/394532776.db2.gz ORIUZSHSAMQXGT-OAHLLOKOSA-N 1 0 295.448 2.392 10 0 CEAERO C[C@@H]1CC[C@@H](C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)O1 ZINC000248962627 394549667 /nfs/dbraw/zinc/54/96/67/394549667.db2.gz BJWJADPSJNLSDW-ILXRZTDVSA-N 1 0 275.396 2.383 10 0 CEAERO C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]C[C@@H](O)C(C)(C)C ZINC000324242626 394549908 /nfs/dbraw/zinc/54/99/08/394549908.db2.gz BLLOIGXOLGMSOR-SDDRHHMPSA-N 1 0 288.432 2.285 10 0 CEAERO C[C@@H]1CN(CC[N@@H+]2CCC[C@H]2c2ccco2)CCO1 ZINC000249299175 394553424 /nfs/dbraw/zinc/55/34/24/394553424.db2.gz RTWAFNQNEAAMNI-KGLIPLIRSA-N 1 0 264.369 2.137 10 0 CEAERO CCC[C@@H](CC)[NH2+]C[C@@H](O)COCc1ccco1 ZINC000050404306 394554827 /nfs/dbraw/zinc/55/48/27/394554827.db2.gz VPIBTDZVKBWETB-CHWSQXEVSA-N 1 0 255.358 2.325 10 0 CEAERO OC1CC(C[NH2+]Cc2ccccc2OC(F)F)C1 ZINC000091426555 394657044 /nfs/dbraw/zinc/65/70/44/394657044.db2.gz CAGLHPNHTSMREL-UHFFFAOYSA-N 1 0 257.280 2.149 10 0 CEAERO C[NH2+][C@@H](C)Cc1noc(-c2cnn(C(C)(C)C)c2C)n1 ZINC000261618863 394604114 /nfs/dbraw/zinc/60/41/14/394604114.db2.gz BOEBXEAWTOWVMJ-VIFPVBQESA-N 1 0 277.372 2.147 10 0 CEAERO [NH3+][C@H](C(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1)C1CCOCC1 ZINC000261774242 394607150 /nfs/dbraw/zinc/60/71/50/394607150.db2.gz MMHQGCJJFHCNFE-BVUBDWEXSA-N 1 0 294.439 2.215 10 0 CEAERO C[C@]1([NH3+])CCCC[C@@H]1C(=O)N[C@@H]1COc2ccccc21 ZINC000263294156 394628297 /nfs/dbraw/zinc/62/82/97/394628297.db2.gz WAXPVOOHPUKPQP-IOASZLSFSA-N 1 0 274.364 2.144 10 0 CEAERO C[NH+](C)CCC[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000083799078 394640631 /nfs/dbraw/zinc/64/06/31/394640631.db2.gz IZBUNIGOLQHFBE-CQSZACIVSA-N 1 0 299.459 2.175 10 0 CEAERO [NH3+]C[C@H]1CCCN(c2cccc(Br)n2)C1 ZINC000095072487 394671808 /nfs/dbraw/zinc/67/18/08/394671808.db2.gz ZOBSKGCIJJXHPY-SECBINFHSA-N 1 0 270.174 2.019 10 0 CEAERO C[C@@H]([NH2+]CCc1cn(C)cn1)c1ccc(Cl)cn1 ZINC000414129889 394711494 /nfs/dbraw/zinc/71/14/94/394711494.db2.gz WAYWPXGLHSTPKQ-SNVBAGLBSA-N 1 0 264.760 2.362 10 0 CEAERO CC(=O)CC[N@@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000106162728 394724008 /nfs/dbraw/zinc/72/40/08/394724008.db2.gz WGGVBWNTFMHRKX-CQSZACIVSA-N 1 0 296.436 2.032 10 0 CEAERO C[C@H]1OCC[C@H]1[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000120805840 394785169 /nfs/dbraw/zinc/78/51/69/394785169.db2.gz PZHUKNDGIJYBLB-HZSPNIEDSA-N 1 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MXERQXVEHOZZKN-OLZOCXBDSA-N 1 0 262.353 2.426 10 0 CEAERO CC[C@H]1CN(c2ccc(OC(F)F)cn2)CC[C@@H]1[NH3+] ZINC000380883862 395169409 /nfs/dbraw/zinc/16/94/09/395169409.db2.gz DCARYPYVPLPZAQ-ONGXEEELSA-N 1 0 271.311 2.247 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1ccc2c(c1)CCCO2 ZINC000383627827 395185973 /nfs/dbraw/zinc/18/59/73/395185973.db2.gz JIWVEDFBADNGTN-JSGCOSHPSA-N 1 0 274.364 2.325 10 0 CEAERO O[C@]12CCCC[C@H]1C[N@H+](CCC[C@H]1CCOC1)CC2 ZINC000400538119 395252914 /nfs/dbraw/zinc/25/29/14/395252914.db2.gz KIQDROIXBFHDNB-JYJNAYRXSA-N 1 0 267.413 2.430 10 0 CEAERO C[C@H]1[C@H](O)CCC[N@@H+]1CCc1c(F)cccc1F ZINC000402057142 395267956 /nfs/dbraw/zinc/26/79/56/395267956.db2.gz WMMPRLFIXMZRPW-IINYFYTJSA-N 1 0 255.308 2.353 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1cccc2ccncc21 ZINC000647827411 395760733 /nfs/dbraw/zinc/76/07/33/395760733.db2.gz AVKSWMVWMKFHPV-IUODEOHRSA-N 1 0 269.348 2.092 10 0 CEAERO C[N@H+](CCc1nccs1)C[C@H]1CCC[C@H](O)C1 ZINC000647969095 395791058 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2.360 10 0 CEAERO CC[C@H]([NH2+]C1CCN(CCO)CC1)C1CCCC1 ZINC000398952754 400563151 /nfs/dbraw/zinc/56/31/51/400563151.db2.gz CXFUZIVRGJKPEO-HNNXBMFYSA-N 1 0 254.418 2.002 10 0 CEAERO Cc1ncn([C@@H](C[NH3+])C(F)(F)C(F)(F)F)c1C ZINC000616568484 400668989 /nfs/dbraw/zinc/66/89/89/400668989.db2.gz AVPPNMVPIXDYOP-ZETCQYMHSA-N 1 0 257.206 2.197 10 0 CEAERO Cc1cccc([C@@H](C)[NH2+]CC[C@H]2CCS(=O)(=O)C2)c1 ZINC000650336101 400878395 /nfs/dbraw/zinc/87/83/95/400878395.db2.gz SVHHOGKKDWJANS-KGLIPLIRSA-N 1 0 281.421 2.470 10 0 CEAERO CCOCCCC[NH2+][C@@H]1C[C@@H](OCC)C12CCOCC2 ZINC000186258513 286053982 /nfs/dbraw/zinc/05/39/82/286053982.db2.gz KWJZPOSLOUBGQU-HUUCEWRRSA-N 1 0 285.428 2.367 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)SC)C12CCOCC2 ZINC000248985834 286284517 /nfs/dbraw/zinc/28/45/17/286284517.db2.gz JXUNRYQFENAYPI-YNEHKIRRSA-N 1 0 273.442 2.302 10 0 CEAERO Cc1cnccc1CC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000188291279 153049518 /nfs/dbraw/zinc/04/95/18/153049518.db2.gz JVBGMLGPLMFKQW-OAHLLOKOSA-N 1 0 277.412 2.025 10 0 CEAERO C[C@@H]1C(=O)NCCC[N@H+]1CCCc1ccc(Cl)cc1 ZINC000189329726 153091488 /nfs/dbraw/zinc/09/14/88/153091488.db2.gz JSPJRODZKYWVEE-GFCCVEGCSA-N 1 0 280.799 2.483 10 0 CEAERO COc1ccc(Cl)cc1C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000189310672 153091638 /nfs/dbraw/zinc/09/16/38/153091638.db2.gz GNBKUFJGOOXLIT-CABZTGNLSA-N 1 0 282.771 2.219 10 0 CEAERO CCn1cc([C@@H]2C[N@H+](C[Si](C)(C)C)CCO2)cn1 ZINC000190734548 153144476 /nfs/dbraw/zinc/14/44/76/153144476.db2.gz NLANRKRGTAAHSZ-ZDUSSCGKSA-N 1 0 267.449 2.154 10 0 CEAERO CCCC1CCC([N@H+](C)C[C@@H](O)CN2CCCC2=O)CC1 ZINC000191426088 153172285 /nfs/dbraw/zinc/17/22/85/153172285.db2.gz JXSOUKBGHTUREV-UYSNPLJNSA-N 1 0 296.455 2.260 10 0 CEAERO Cc1c[nH+]ccc1N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000191980605 153199583 /nfs/dbraw/zinc/19/95/83/153199583.db2.gz GCFKZIYOSNPOHZ-AWEZNQCLSA-N 1 0 283.379 2.285 10 0 CEAERO O=C1O[C@@H](C[NH+]2CCC(c3cc[nH]n3)CC2)CC12CCC2 ZINC000191978730 153199633 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O=C(CCc1cc(F)ccc1F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195337188 153285417 /nfs/dbraw/zinc/28/54/17/153285417.db2.gz HYOVRJKBAWFUAE-AWEZNQCLSA-N 1 0 294.345 2.204 10 0 CEAERO CCCCS[C@H](C)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195336568 153286825 /nfs/dbraw/zinc/28/68/25/153286825.db2.gz PSCSVXDGGUSCKG-CHWSQXEVSA-N 1 0 270.442 2.215 10 0 CEAERO CCC(CC)NC(=O)[C@H](C)N[C@@H](C)c1ncc(C)o1 ZINC000230646088 153392968 /nfs/dbraw/zinc/39/29/68/153392968.db2.gz OKKVKQMCQYAJSB-QWRGUYRKSA-N 1 0 267.373 2.327 10 0 CEAERO Cc1nc(N[C@@H](C)CC[NH3+])ccc1Br ZINC000235089145 153433962 /nfs/dbraw/zinc/43/39/62/153433962.db2.gz NPMHQOYFDQFFMY-ZETCQYMHSA-N 1 0 258.163 2.302 10 0 CEAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3sccc3Cl)C[C@@H]12 ZINC000261558836 153756684 /nfs/dbraw/zinc/75/66/84/153756684.db2.gz SSUCYAXEQGOLOK-QXFUBDJGSA-N 1 0 270.785 2.211 10 0 CEAERO CCCOc1cccc(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC000261573878 153770249 /nfs/dbraw/zinc/77/02/49/153770249.db2.gz AVAZGNVCNCADCY-BXUZGUMPSA-N 1 0 262.353 2.037 10 0 CEAERO [NH3+][C@@H]1CC[C@H]2CN(Cc3cccc(F)c3F)C[C@@H]12 ZINC000261584019 153776305 /nfs/dbraw/zinc/77/63/05/153776305.db2.gz SAAKWKVXGUNGCE-UFGOTCBOSA-N 1 0 252.308 2.134 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)c1ccc(-c2ccccc2)n1C ZINC000261612187 153788256 /nfs/dbraw/zinc/78/82/56/153788256.db2.gz AFUYEINNEGKUON-GFCCVEGCSA-N 1 0 271.364 2.030 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)c1cnc(-c2ccsc2)s1 ZINC000261717268 153816561 /nfs/dbraw/zinc/81/65/61/153816561.db2.gz KNAJGBBPAAOCTH-QMMMGPOBSA-N 1 0 281.406 2.209 10 0 CEAERO Cc1cnc(C)c(NC[C@@H]2[NH2+]CCc3ccccc32)n1 ZINC000261726116 153821680 /nfs/dbraw/zinc/82/16/80/153821680.db2.gz KUUPBNUZDGGVJJ-HNNXBMFYSA-N 1 0 268.364 2.392 10 0 CEAERO CC(=O)c1ccc(CC(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])cc1 ZINC000261778872 153836517 /nfs/dbraw/zinc/83/65/17/153836517.db2.gz KZOOFRYYAKMKQL-BLLLJJGKSA-N 1 0 288.391 2.018 10 0 CEAERO COc1ccc([C@H](C)N(C)C(=O)[C@@H](C)C2C[NH2+]C2)cc1 ZINC000262299758 153938072 /nfs/dbraw/zinc/93/80/72/153938072.db2.gz ZTXAYKXSFJXPTF-RYUDHWBXSA-N 1 0 276.380 2.070 10 0 CEAERO C[C@@H]1CCC[C@H](Cc2nc([C@@H]3C[NH2+]CCN3C)no2)C1 ZINC000263129517 154020287 /nfs/dbraw/zinc/02/02/87/154020287.db2.gz BOEBQLYTDXRITE-AGIUHOORSA-N 1 0 278.400 2.015 10 0 CEAERO C[C@H](CC1CCCC1)c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263166147 154028470 /nfs/dbraw/zinc/02/84/70/154028470.db2.gz FFDCCQMKOORAFX-DGCLKSJQSA-N 1 0 278.400 2.330 10 0 CEAERO CC(C)(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000263209064 154035126 /nfs/dbraw/zinc/03/51/26/154035126.db2.gz KBDHEIIQLWDSMS-XGUBFFRZSA-N 1 0 268.445 2.151 10 0 CEAERO O[C@H](COCc1ccccc1)C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000343999322 154264467 /nfs/dbraw/zinc/26/44/67/154264467.db2.gz DTALSCXJCABCOS-IRXDYDNUSA-N 1 0 275.392 2.296 10 0 CEAERO O[C@H](COCc1ccccc1)C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000343999323 154264678 /nfs/dbraw/zinc/26/46/78/154264678.db2.gz DTALSCXJCABCOS-SJORKVTESA-N 1 0 275.392 2.296 10 0 CEAERO CC[C@@H](C)N(C)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000080012644 286764719 /nfs/dbraw/zinc/76/47/19/286764719.db2.gz WOEWRGUGHJXFSN-CHWSQXEVSA-N 1 0 257.422 2.403 10 0 CEAERO C[C@@H]([NH3+])CCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000063170619 286910186 /nfs/dbraw/zinc/91/01/86/286910186.db2.gz PBNGICJSQKXSMB-QFGHMXTESA-N 1 0 250.386 2.056 10 0 CEAERO CCN(C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C)C(C)C ZINC000131816864 162299339 /nfs/dbraw/zinc/29/93/39/162299339.db2.gz VXTQMFLDVCVPHO-STQMWFEESA-N 1 0 255.406 2.155 10 0 CEAERO [NH3+][C@H]1CC[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2O)C1 ZINC000166458257 162350051 /nfs/dbraw/zinc/35/00/51/162350051.db2.gz VJWOAMARTWSHKQ-APPZFPTMSA-N 1 0 288.269 2.477 10 0 CEAERO CC[C@H]([NH2+][C@@H]1CCCNC1=O)c1cccc(F)c1 ZINC000166566863 162351581 /nfs/dbraw/zinc/35/15/81/162351581.db2.gz QZIIKOUSWIGPHV-QWHCGFSZSA-N 1 0 250.317 2.145 10 0 CEAERO C[C@H](Nc1ccc(C(F)(F)F)nn1)[C@H]1CCC[NH2+]C1 ZINC000167111732 162357268 /nfs/dbraw/zinc/35/72/68/162357268.db2.gz GBRBWZRYNTZJGW-IUCAKERBSA-N 1 0 274.290 2.295 10 0 CEAERO CCn1cnnc1C1CC[NH+](C[Si](C)(C)C)CC1 ZINC000171746780 162391143 /nfs/dbraw/zinc/39/11/43/162391143.db2.gz MJWOIXNRAXLLLK-UHFFFAOYSA-N 1 0 266.465 2.355 10 0 CEAERO C[C@@H](NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000173345939 287032063 /nfs/dbraw/zinc/03/20/63/287032063.db2.gz LHSNXENLMPHNQO-GDBMZVCRSA-N 1 0 262.397 2.184 10 0 CEAERO CC[C@@H]1CCC[C@@H](NC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000155948380 287059861 /nfs/dbraw/zinc/05/98/61/287059861.db2.gz KVNFPFKWWGWWSY-MCIONIFRSA-N 1 0 267.417 2.301 10 0 CEAERO O=C(NCCC1=CCCCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171896360 165049570 /nfs/dbraw/zinc/04/95/70/165049570.db2.gz QYJCQPLVQGMVLT-OAHLLOKOSA-N 1 0 277.412 2.367 10 0 CEAERO CCC[C@H](C)CS(=O)(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000173885236 165086147 /nfs/dbraw/zinc/08/61/47/165086147.db2.gz DSRPJSRPQOTIGV-IHRRRGAJSA-N 1 0 290.473 2.071 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCSC ZINC000175029307 165122499 /nfs/dbraw/zinc/12/24/99/165122499.db2.gz ATPBDALGXGOHOB-QWHCGFSZSA-N 1 0 270.442 2.215 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cccc(C(=O)OC)c1 ZINC000175346041 165132233 /nfs/dbraw/zinc/13/22/33/165132233.db2.gz ZZAYROMGVVKHBO-MRXNPFEDSA-N 1 0 290.407 2.389 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1nccn1C(C)C ZINC000175333275 165134349 /nfs/dbraw/zinc/13/43/49/165134349.db2.gz DOMGWIIIOVWQDF-AWEZNQCLSA-N 1 0 264.417 2.380 10 0 CEAERO CC(C)C[C@@H](C)N(C)C(=O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177776147 165207360 /nfs/dbraw/zinc/20/73/60/165207360.db2.gz BAUAITPSXYXAKI-HZPDHXFCSA-N 1 0 295.471 2.050 10 0 CEAERO COc1ccccc1C[C@H](C)CC(=O)NCC[C@@H](C)[NH3+] ZINC000178619238 165253103 /nfs/dbraw/zinc/25/31/03/165253103.db2.gz RXJBSKGTWXLQEG-QWHCGFSZSA-N 1 0 278.396 2.117 10 0 CEAERO CC[C@@H](CSC)N(C)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000179596732 165284039 /nfs/dbraw/zinc/28/40/39/165284039.db2.gz VUYNHBVXQHRSHV-OLZOCXBDSA-N 1 0 287.473 2.254 10 0 CEAERO CC[C@@H](CSC)N(C)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000179596764 165285320 /nfs/dbraw/zinc/28/53/20/165285320.db2.gz VUYNHBVXQHRSHV-STQMWFEESA-N 1 0 287.473 2.254 10 0 CEAERO CCc1ccnc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CC)c1 ZINC000180289647 165306525 /nfs/dbraw/zinc/30/65/25/165306525.db2.gz MMJSPKBFFLZLOO-GJZGRUSLSA-N 1 0 287.407 2.343 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2ncccc2-c2nc(C)no2)C1 ZINC000180423531 165309331 /nfs/dbraw/zinc/30/93/31/165309331.db2.gz AYMXCYANQXYQQE-GFCCVEGCSA-N 1 0 287.367 2.336 10 0 CEAERO CC[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cccs1 ZINC000180579570 165314240 /nfs/dbraw/zinc/31/42/40/165314240.db2.gz RNHATTVCNPDYHZ-GHMZBOCLSA-N 1 0 262.382 2.395 10 0 CEAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](C)C1CCC1)CC2 ZINC000180650551 165316728 /nfs/dbraw/zinc/31/67/28/165316728.db2.gz KLWSUMFAVRXSOF-YPMHNXCESA-N 1 0 262.401 2.495 10 0 CEAERO CCC[C@@H]1C[C@H](C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CCO1 ZINC000183505565 165399349 /nfs/dbraw/zinc/39/93/49/165399349.db2.gz LRJNUBKYUGXFIS-BZUAXINKSA-N 1 0 294.439 2.278 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)OCC1CC1 ZINC000184441163 165429320 /nfs/dbraw/zinc/42/93/20/165429320.db2.gz YWOIJMPISIHWCQ-QWHCGFSZSA-N 1 0 252.358 2.092 10 0 CEAERO CC[C@@H]1CN(C(=O)[C@H]2CCC[C@H](C)C2)CC[N@@H+]1CCOC ZINC000247561170 287168042 /nfs/dbraw/zinc/16/80/42/287168042.db2.gz ZPRAAHJKZRGDIJ-HRCADAONSA-N 1 0 296.455 2.382 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC(C)(C)C ZINC000174303647 287219883 /nfs/dbraw/zinc/21/98/83/287219883.db2.gz UEGUPOPZGAGXHE-CHWSQXEVSA-N 1 0 267.417 2.301 10 0 CEAERO NC1=[NH+]C[C@@H](COc2ccc(Cl)c(Cl)c2)O1 ZINC000003652669 169906583 /nfs/dbraw/zinc/90/65/83/169906583.db2.gz RTEGUCGMXQSZGZ-ZETCQYMHSA-N 1 0 261.108 2.086 10 0 CEAERO C[N@@H+]1CCC[C@H]1CCNC(=O)c1ccc(F)cc1 ZINC000005718786 170132958 /nfs/dbraw/zinc/13/29/58/170132958.db2.gz IIBQUVZQULWUBE-ZDUSSCGKSA-N 1 0 250.317 2.040 10 0 CEAERO C[NH2+][C@@H](C)Cc1ccc(I)cc1 ZINC000006020996 170168972 /nfs/dbraw/zinc/16/89/72/170168972.db2.gz MXJYUKFIZBQAJV-QMMMGPOBSA-N 1 0 275.133 2.442 10 0 CEAERO C[C@@H]([NH3+])Cc1ccc(I)s1 ZINC000006036827 170170236 /nfs/dbraw/zinc/17/02/36/170170236.db2.gz CUWHECACXGCRLY-RXMQYKEDSA-N 1 0 267.135 2.242 10 0 CEAERO c1cc(CCOCC2=[NH+]CCCN2)cc2c1CCC2 ZINC000006094020 170175630 /nfs/dbraw/zinc/17/56/30/170175630.db2.gz QGUXNLIQNYZLGW-UHFFFAOYSA-N 1 0 258.365 2.126 10 0 CEAERO Cc1cccc([C@H](C[NH3+])S(=O)(=O)c2ccccc2)c1 ZINC000008031166 170315038 /nfs/dbraw/zinc/31/50/38/170315038.db2.gz BEYGLPLPHNZMRH-HNNXBMFYSA-N 1 0 275.373 2.469 10 0 CEAERO COc1cccc([C@H](C[NH3+])S(=O)(=O)c2cccs2)c1 ZINC000008037227 170315557 /nfs/dbraw/zinc/31/55/57/170315557.db2.gz URUASBGLLKTMAQ-LBPRGKRZSA-N 1 0 297.401 2.230 10 0 CEAERO CC(C)n1nc(-c2cccc(O)c2)c2c1ncnc2N ZINC000008581890 170341637 /nfs/dbraw/zinc/34/16/37/170341637.db2.gz MWYBBCLGEHZSCP-UHFFFAOYSA-N 1 0 269.308 2.362 10 0 in-vivo CEAERO Cc1ccc([C@@H]([NH3+])Cn2ncc3ccccc3c2=O)cc1 ZINC000019260316 170761605 /nfs/dbraw/zinc/76/16/05/170761605.db2.gz HMRZYYWKNMCSQO-INIZCTEOSA-N 1 0 279.343 2.405 10 0 CEAERO C[C@@H](OCc1ccco1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000019261226 170762378 /nfs/dbraw/zinc/76/23/78/170762378.db2.gz MISVEYYPZQJHLD-LLVKDONJSA-N 1 0 274.320 2.282 10 0 CEAERO NC(=S)c1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000019514362 170822291 /nfs/dbraw/zinc/82/22/91/170822291.db2.gz WJPNGOYCNMZOMN-UHFFFAOYSA-N 1 0 291.420 2.135 10 0 CEAERO Clc1cccc(OCCN2CC[NH2+]CC2)c1Cl ZINC000019728638 170845890 /nfs/dbraw/zinc/84/58/90/170845890.db2.gz RBJJUUSCHPYRNJ-UHFFFAOYSA-N 1 0 275.179 2.277 10 0 CEAERO C[C@@H]([NH2+][C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000019899895 170911504 /nfs/dbraw/zinc/91/15/04/170911504.db2.gz PIUMEQPYLZVTOF-SKDRFNHKSA-N 1 0 273.785 2.178 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCCC2 ZINC000020133357 171021137 /nfs/dbraw/zinc/02/11/37/171021137.db2.gz DNWHXHNKYKOFRJ-BLLLJJGKSA-N 1 0 293.432 2.403 10 0 CEAERO [NH3+]C[C@@H](c1ccccc1Cl)N1CCC(CO)CC1 ZINC000020179049 171043514 /nfs/dbraw/zinc/04/35/14/171043514.db2.gz QPAVRKVSWKACEO-AWEZNQCLSA-N 1 0 268.788 2.044 10 0 CEAERO Cc1cccc(S(=O)(=O)N(CC[NH3+])C2CCCCC2)c1 ZINC000020183585 171046492 /nfs/dbraw/zinc/04/64/92/171046492.db2.gz IGPYLZBDPRANGI-UHFFFAOYSA-N 1 0 296.436 2.277 10 0 CEAERO C[C@H]([NH3+])c1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000020187776 171052713 /nfs/dbraw/zinc/05/27/13/171052713.db2.gz UDLNWVOSOOYWPR-NSHDSACASA-N 1 0 282.409 2.317 10 0 CEAERO CCOc1cccc(C[C@H](C[NH3+])c2nnc(C)o2)c1 ZINC000020222293 171085048 /nfs/dbraw/zinc/08/50/48/171085048.db2.gz QFKLOJJUHYMOEO-GFCCVEGCSA-N 1 0 261.325 2.062 10 0 CEAERO [NH3+]CCCc1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000020224516 171087577 /nfs/dbraw/zinc/08/75/77/171087577.db2.gz JAGBURSGGJNUHV-UHFFFAOYSA-N 1 0 290.388 2.379 10 0 CEAERO CCN(C)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000020226521 171091566 /nfs/dbraw/zinc/09/15/66/171091566.db2.gz BHHDEXRDIIMZSM-LLVKDONJSA-N 1 0 257.175 2.401 10 0 CEAERO CCCC(=O)N(CCC[NH3+])c1ccc(F)c(F)c1 ZINC000020234173 171095348 /nfs/dbraw/zinc/09/53/48/171095348.db2.gz VXRCESMMXWWZOU-UHFFFAOYSA-N 1 0 256.296 2.447 10 0 CEAERO CC[C@@H]1CC[C@H]([NH3+])[C@@H](N(C)CCc2ccccn2)C1 ZINC000020260944 171118136 /nfs/dbraw/zinc/11/81/36/171118136.db2.gz VDVKOLCYVNFAMW-KBMXLJTQSA-N 1 0 261.413 2.462 10 0 CEAERO Cc1c([C@H](C)[NH2+]Cc2ccc3c(c2)OCO3)cnn1C ZINC000020349452 171155450 /nfs/dbraw/zinc/15/54/50/171155450.db2.gz VRJKKTWFXVCTHQ-JTQLQIEISA-N 1 0 273.336 2.308 10 0 CEAERO CCCNC(=O)[C@@H](C)NCCC[N@H+](C)Cc1ccccc1 ZINC000020361945 171160608 /nfs/dbraw/zinc/16/06/08/171160608.db2.gz SLLNXZFFJBKBTO-OAHLLOKOSA-N 1 0 291.439 2.013 10 0 CEAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+]Cc1ccc(OC)cc1 ZINC000020364375 171163012 /nfs/dbraw/zinc/16/30/12/171163012.db2.gz CSEGUWLVAJDIIH-LBPRGKRZSA-N 1 0 278.396 2.478 10 0 CEAERO CC[C@H](C)NC(=O)[C@H](C)Oc1ccccc1[C@@H](C)[NH3+] ZINC000020419447 171184562 /nfs/dbraw/zinc/18/45/62/171184562.db2.gz SMCPYHQHKOFXAM-TUAOUCFPSA-N 1 0 264.369 2.388 10 0 CEAERO COc1cc([C@@H](C)[NH3+])ccc1O[C@H](C)C(=O)NC(C)(C)C ZINC000020419876 171185340 /nfs/dbraw/zinc/18/53/40/171185340.db2.gz IOMYLCLPMULVLW-GHMZBOCLSA-N 1 0 294.395 2.397 10 0 CEAERO [NH3+]Cc1cccc(C(=O)NCc2cccc(F)c2)c1 ZINC000020473234 171216486 /nfs/dbraw/zinc/21/64/86/171216486.db2.gz FFFAFYVZHWQBDX-UHFFFAOYSA-N 1 0 258.296 2.214 10 0 CEAERO COc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000020563953 171252861 /nfs/dbraw/zinc/25/28/61/171252861.db2.gz PDGXUBZXMFLHON-CQSZACIVSA-N 1 0 289.379 2.397 10 0 CEAERO CCOC(=O)C[C@H]([NH3+])c1ccc(OC(F)F)cc1 ZINC000020577682 171256197 /nfs/dbraw/zinc/25/61/97/171256197.db2.gz NFOBREVXWRUPRP-JTQLQIEISA-N 1 0 259.252 2.241 10 0 CEAERO O=C(C[C@@H]1CCCC[NH2+]1)Nc1cc(F)cc(F)c1 ZINC000020597414 171266493 /nfs/dbraw/zinc/26/64/93/171266493.db2.gz YIJUWMYGQHYDTK-NSHDSACASA-N 1 0 254.280 2.436 10 0 CEAERO CCC[C@@H](C)NS(=O)(=O)c1cccc([C@@H](C)[NH3+])c1 ZINC000021814398 171331855 /nfs/dbraw/zinc/33/18/55/171331855.db2.gz KQOSHKJQDKOKIX-GHMZBOCLSA-N 1 0 270.398 2.173 10 0 CEAERO CCCOc1ccc([C@H](C)[NH2+]CC(N)=O)cc1OCCC ZINC000021959591 171342113 /nfs/dbraw/zinc/34/21/13/171342113.db2.gz LSUDFTVHRUMRGN-LBPRGKRZSA-N 1 0 294.395 2.400 10 0 CEAERO CCCCCNS(=O)(=O)c1cccc([C@H](C)[NH3+])c1 ZINC000022146914 171356781 /nfs/dbraw/zinc/35/67/81/171356781.db2.gz SXTFIKJYMLNVQH-NSHDSACASA-N 1 0 270.398 2.175 10 0 CEAERO C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(N)c1 ZINC000022151670 171358945 /nfs/dbraw/zinc/35/89/45/171358945.db2.gz YILRJBPDHOAPEY-LBPRGKRZSA-N 1 0 261.369 2.472 10 0 CEAERO C[C@H](C(=O)Nc1ccccc1N)[NH+]1CCCCCC1 ZINC000022152952 171359934 /nfs/dbraw/zinc/35/99/34/171359934.db2.gz OSASQGAYPWYEFL-GFCCVEGCSA-N 1 0 261.369 2.472 10 0 CEAERO [NH3+]Cc1ccccc1NC(=O)CCCOCC(F)(F)F ZINC000022164240 171364993 /nfs/dbraw/zinc/36/49/93/171364993.db2.gz ODNQDGFDPIUJTI-UHFFFAOYSA-N 1 0 290.285 2.443 10 0 CEAERO C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1C[NH3+] ZINC000022171562 171368075 /nfs/dbraw/zinc/36/80/75/171368075.db2.gz ULZMUNYPWKCQTH-AAEUAGOBSA-N 1 0 282.409 2.002 10 0 CEAERO CCN(CC)[C@H](C[NH3+])c1cnn(-c2ccccc2)c1 ZINC000022174854 171369937 /nfs/dbraw/zinc/36/99/37/171369937.db2.gz SVGYCLZPSWRHTR-OAHLLOKOSA-N 1 0 258.369 2.214 10 0 CEAERO Cc1ccc(N)cc1NC(=O)CC[NH+]1CCCCC1 ZINC000022175919 171370406 /nfs/dbraw/zinc/37/04/06/171370406.db2.gz YQWYLKNINKTQNK-UHFFFAOYSA-N 1 0 261.369 2.392 10 0 CEAERO C[C@H](OCC(F)(F)F)C(=O)Nc1ccccc1C[NH3+] ZINC000022212717 171374503 /nfs/dbraw/zinc/37/45/03/171374503.db2.gz AIOCBJXJODUTGP-QMMMGPOBSA-N 1 0 276.258 2.051 10 0 CEAERO Cc1ccc(F)cc1NS(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000022222443 171378778 /nfs/dbraw/zinc/37/87/78/171378778.db2.gz QDCBQLCLHNFEEB-UHFFFAOYSA-N 1 0 294.351 2.394 10 0 CEAERO [NH3+]Cc1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000022222013 171378810 /nfs/dbraw/zinc/37/88/10/171378810.db2.gz QFAPPIFOGXSWIZ-UHFFFAOYSA-N 1 0 280.324 2.085 10 0 CEAERO CC1CCN(C[C@@H]([NH3+])c2ccc3c(c2)OCO3)CC1 ZINC000022562906 171391488 /nfs/dbraw/zinc/39/14/88/171391488.db2.gz GHARZRGVTDKFNS-CYBMUJFWSA-N 1 0 262.353 2.147 10 0 CEAERO CC(C)(C)[C@H]([NH3+])COc1ccc2c(c1)CCC(=O)N2 ZINC000023070588 171410973 /nfs/dbraw/zinc/41/09/73/171410973.db2.gz XJHKLSXPSKDVJY-CYBMUJFWSA-N 1 0 262.353 2.324 10 0 CEAERO COc1ccc([C@@]23C[C@@H]2C[NH2+]C3)cc1Br ZINC000027553395 171520685 /nfs/dbraw/zinc/52/06/85/171520685.db2.gz NJVGDJHEBAHABZ-SKDRFNHKSA-N 1 0 268.154 2.319 10 0 CEAERO O=C(COCC1CC[NH2+]CC1)Nc1ccccc1Cl ZINC000031840110 171649735 /nfs/dbraw/zinc/64/97/35/171649735.db2.gz IMUQZCCIQUJDNG-UHFFFAOYSA-N 1 0 282.771 2.295 10 0 CEAERO CCC[NH2+]Cc1ccc(O[C@@H](C)C(=O)N(C)C)cc1 ZINC000034657877 171850710 /nfs/dbraw/zinc/85/07/10/171850710.db2.gz MQQWUSHHSHTCPR-LBPRGKRZSA-N 1 0 264.369 2.042 10 0 CEAERO CCN(c1c(C[NH2+]C2CC2)c(C)nn1C)C(C)C ZINC000034824695 171878548 /nfs/dbraw/zinc/87/85/48/171878548.db2.gz HTWXOOFSMIBEBF-UHFFFAOYSA-N 1 0 250.390 2.215 10 0 CEAERO CCCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1OC(C)C ZINC000034993228 171920779 /nfs/dbraw/zinc/92/07/79/171920779.db2.gz YUVKXJNNSFSESH-CYBMUJFWSA-N 1 0 278.396 2.478 10 0 CEAERO C[C@H]([NH2+]Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C1CC1 ZINC000035140749 172008468 /nfs/dbraw/zinc/00/84/68/172008468.db2.gz NRUZZHRLEBERRB-QMMMGPOBSA-N 1 0 277.755 2.465 10 0 CEAERO C[C@@H]([NH2+][C@H]1CCc2ccccc21)C(=O)N1CCCC1 ZINC000035180663 172034452 /nfs/dbraw/zinc/03/44/52/172034452.db2.gz DTFBXTVMGWKHID-DOMZBBRYSA-N 1 0 258.365 2.274 10 0 CEAERO COC(=O)c1c2c(sc1NC(=O)C=C(C)C)C[NH2+]CC2 ZINC000035216890 172057549 /nfs/dbraw/zinc/05/75/49/172057549.db2.gz SACQOYJIZWPJGC-UHFFFAOYSA-N 1 0 294.376 2.085 10 0 CEAERO COc1ccc(-c2noc([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000035278976 172097325 /nfs/dbraw/zinc/09/73/25/172097325.db2.gz CWSLAQOYHLUWNB-NSHDSACASA-N 1 0 259.309 2.212 10 0 CEAERO [NH3+][C@H](Cc1ncc[nH]1)c1ccc(Br)s1 ZINC000035382278 172164846 /nfs/dbraw/zinc/16/48/46/172164846.db2.gz ZZSWEVDBCBXFRX-ZCFIWIBFSA-N 1 0 272.171 2.476 10 0 CEAERO CCCN(CCC)c1nc2sccn2c1C[NH3+] ZINC000035429744 172197872 /nfs/dbraw/zinc/19/78/72/172197872.db2.gz GWOAGXGBLXNCFS-UHFFFAOYSA-N 1 0 252.387 2.481 10 0 CEAERO CCCCN(C)c1nc2sccn2c1C[NH2+]C ZINC000035429772 172197915 /nfs/dbraw/zinc/19/79/15/172197915.db2.gz YZECTIZRZHASDY-UHFFFAOYSA-N 1 0 252.387 2.352 10 0 CEAERO CC(C)N(C)c1nc2sccn2c1C[NH2+]C1CC1 ZINC000035429816 172198589 /nfs/dbraw/zinc/19/85/89/172198589.db2.gz XNYKMCPPXQVDFI-UHFFFAOYSA-N 1 0 264.398 2.492 10 0 CEAERO [NH3+][C@H]1CC(=O)N(c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000035679688 172350511 /nfs/dbraw/zinc/35/05/11/172350511.db2.gz GMRFBKXJFHGCQH-ZETCQYMHSA-N 1 0 278.661 2.423 10 0 CEAERO C[C@H](NC(=O)Cc1ccccc1F)[C@@H]1CCCC[NH2+]1 ZINC000035690540 172358624 /nfs/dbraw/zinc/35/86/24/172358624.db2.gz KTOVLWHCDPEYED-FZMZJTMJSA-N 1 0 264.344 2.015 10 0 CEAERO C[C@H](C[NH3+])CSc1nnc(C2CC2)n1C1CC1 ZINC000035723190 172378802 /nfs/dbraw/zinc/37/88/02/172378802.db2.gz QFKFTABDPLZXFX-MRVPVSSYSA-N 1 0 252.387 2.177 10 0 CEAERO C[C@H]1CS(=O)(=O)c2ccc(C(C)(C)C)cc2[C@@H]1[NH3+] ZINC000035755768 172396431 /nfs/dbraw/zinc/39/64/31/172396431.db2.gz SMXCFSTYSGJFKG-TVQRCGJNSA-N 1 0 267.394 2.407 10 0 CEAERO CCC[NH2+][C@H]1c2ccccc2S(=O)(=O)C[C@H]1C ZINC000035760569 172398297 /nfs/dbraw/zinc/39/82/97/172398297.db2.gz ISKFIMWZJJOQOG-ZWNOBZJWSA-N 1 0 253.367 2.151 10 0 CEAERO CCC[NH2+][C@H]1C[C@@H](C)S(=O)(=O)c2ccccc21 ZINC000035760608 172398751 /nfs/dbraw/zinc/39/87/51/172398751.db2.gz AWKIWZPLHYTMNA-PWSUYJOCSA-N 1 0 253.367 2.293 10 0 CEAERO O=S1(=O)CCC[C@@H]([NH2+]C2CC2)c2cc(F)c(F)cc21 ZINC000035763060 172402954 /nfs/dbraw/zinc/40/29/54/172402954.db2.gz UALCQLUSFKJHEF-GFCCVEGCSA-N 1 0 287.331 2.325 10 0 CEAERO CC[NH2+][C@@H]1c2cc(F)c(F)cc2S(=O)(=O)C[C@@H]1C ZINC000035763071 172403505 /nfs/dbraw/zinc/40/35/05/172403505.db2.gz AAQVEILPHQKOFF-MADCSZMMSA-N 1 0 275.320 2.039 10 0 CEAERO Cc1cccc(C(=O)NCc2cccc(C[NH3+])c2)c1 ZINC000036201966 172514699 /nfs/dbraw/zinc/51/46/99/172514699.db2.gz LXGWZUFTTJSXBR-UHFFFAOYSA-N 1 0 254.333 2.384 10 0 CEAERO C[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(=O)CC1CCCCC1 ZINC000036258310 172550363 /nfs/dbraw/zinc/55/03/63/172550363.db2.gz LQIPHTADVQBDSQ-BNOWGMLFSA-N 1 0 250.386 2.166 10 0 CEAERO C[C@H]1CCC[C@H](C(=O)Nc2ccc(N(C)C)cc2)[NH2+]1 ZINC000036335644 172618340 /nfs/dbraw/zinc/61/83/40/172618340.db2.gz VVVXMSJIVWIELM-SMDDNHRTSA-N 1 0 261.369 2.222 10 0 CEAERO CC[C@@H]1COCCN1[C@@H](C[NH3+])c1ccc(C)c(C)c1 ZINC000037180181 173013012 /nfs/dbraw/zinc/01/30/12/173013012.db2.gz ALCIAIOAADTRPG-CVEARBPZSA-N 1 0 262.397 2.414 10 0 CEAERO Cc1ncsc1[C@H](C)[NH2+][C@@H]1CN2CCC1CC2 ZINC000037211767 173033629 /nfs/dbraw/zinc/03/36/29/173033629.db2.gz VNLVQOYPKORQQI-CMPLNLGQSA-N 1 0 251.399 2.196 10 0 CEAERO CNC(=O)C[NH2+][C@@H](C)c1sc(C(C)(C)C)nc1C ZINC000037254174 173065103 /nfs/dbraw/zinc/06/51/03/173065103.db2.gz LLEKVNGXPHWKFI-QMMMGPOBSA-N 1 0 269.414 2.146 10 0 CEAERO CSCc1ccc(CNC2CC[NH+](C)CC2)o1 ZINC000037256268 173066834 /nfs/dbraw/zinc/06/68/34/173066834.db2.gz WSRKRPFPZWLIRB-UHFFFAOYSA-N 1 0 254.399 2.326 10 0 CEAERO C[C@H]([NH2+][C@H]1CCS(=O)(=O)c2ccccc21)C1CC1 ZINC000037259310 173069154 /nfs/dbraw/zinc/06/91/54/173069154.db2.gz RCJKLZDUYUEINR-GWCFXTLKSA-N 1 0 265.378 2.293 10 0 CEAERO O=c1[nH]c(C[NH2+]CCc2cccs2)nc2ccccc12 ZINC000037300600 173106536 /nfs/dbraw/zinc/10/65/36/173106536.db2.gz DBGDQQPOAREJDG-UHFFFAOYSA-N 1 0 285.372 2.317 10 0 CEAERO Cc1nc2sccn2c1C[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000037321074 173121880 /nfs/dbraw/zinc/12/18/80/173121880.db2.gz DMUSPNCTUDJDIB-GHMZBOCLSA-N 1 0 265.382 2.097 10 0 CEAERO Cc1nc2ccccn2c1C[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000037321076 173122257 /nfs/dbraw/zinc/12/22/57/173122257.db2.gz GAPYMROZVDRBAQ-OLZOCXBDSA-N 1 0 259.353 2.036 10 0 CEAERO C[C@H](NS(=O)(=O)c1ccc(C[NH3+])s1)c1ccccc1 ZINC000037337947 173139373 /nfs/dbraw/zinc/13/93/73/173139373.db2.gz HBOJQKPVHRQXNZ-JTQLQIEISA-N 1 0 296.417 2.246 10 0 CEAERO C[C@@H]1CCC[C@H](NC(=O)C[NH2+]C2CCCC2)[C@@H]1C ZINC000037387052 173170973 /nfs/dbraw/zinc/17/09/73/173170973.db2.gz SOJDYRSXQFDSSY-BZPMIXESSA-N 1 0 252.402 2.460 10 0 CEAERO [NH3+]CCCC(=O)Nc1c(F)cc(F)cc1Br ZINC000037393013 173173833 /nfs/dbraw/zinc/17/38/33/173173833.db2.gz LYPAFGGPALSHFR-UHFFFAOYSA-N 1 0 293.111 2.405 10 0 CEAERO CCn1c2ccc(Br)cc2nc1[C@H]([NH3+])[C@H](C)O ZINC000037441514 173210906 /nfs/dbraw/zinc/21/09/06/173210906.db2.gz QLXMFGMLERPLPL-WRWORJQWSA-N 1 0 298.184 2.199 10 0 CEAERO CC[NH2+][C@](C)(C(N)=O)c1ccc(C(F)(F)F)cc1 ZINC000037447492 173214818 /nfs/dbraw/zinc/21/48/18/173214818.db2.gz UEHUACJVZFRBHT-NSHDSACASA-N 1 0 260.259 2.015 10 0 CEAERO [NH3+][C@@H](Cc1cccc(Br)c1)c1ncccn1 ZINC000037467230 173226402 /nfs/dbraw/zinc/22/64/02/173226402.db2.gz UZIIZLSFIYNDDR-NSHDSACASA-N 1 0 278.153 2.482 10 0 CEAERO C[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000037483482 173228507 /nfs/dbraw/zinc/22/85/07/173228507.db2.gz KVYGGTRIMWYJOE-JTQLQIEISA-N 1 0 255.159 2.247 10 0 CEAERO [NH3+][C@@H]1CCN(c2ccc(Br)cc2F)C1 ZINC000037483414 173228911 /nfs/dbraw/zinc/22/89/11/173228911.db2.gz GVAXBENFXNKKDU-MRVPVSSYSA-N 1 0 259.122 2.126 10 0 CEAERO CCC[NH2+][C@](C)(C(N)=O)c1ccc(F)c(Cl)c1 ZINC000037513895 173245181 /nfs/dbraw/zinc/24/51/81/173245181.db2.gz FRBLLCYOTYWJOD-LBPRGKRZSA-N 1 0 258.724 2.179 10 0 CEAERO C[NH2+][C@@H](C)CCc1ccc(OCC(C)(C)O)cc1 ZINC000037707297 173627932 /nfs/dbraw/zinc/62/79/32/173627932.db2.gz VBKDQZLEEWAQHN-LBPRGKRZSA-N 1 0 251.370 2.377 10 0 CEAERO CC[NH2+][C@@H](CC)c1ccc(OCC(=O)OC)cc1 ZINC000037708910 173628216 /nfs/dbraw/zinc/62/82/16/173628216.db2.gz BZKDKXLXAJGGDR-ZDUSSCGKSA-N 1 0 251.326 2.299 10 0 CEAERO COc1cccc(CC[NH3+])c1OCc1cccnc1 ZINC000037721603 173639948 /nfs/dbraw/zinc/63/99/48/173639948.db2.gz JTNJCRZHPLBVME-UHFFFAOYSA-N 1 0 258.321 2.170 10 0 CEAERO C[NH2+]CCCC(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000037820704 173772934 /nfs/dbraw/zinc/77/29/34/173772934.db2.gz YPKWSWQKYAPSID-IUODEOHRSA-N 1 0 252.402 2.413 10 0 CEAERO COc1cc(C[NH2+]C[C@@H](C)N2CCCCC2)ccc1O ZINC000038028246 174016753 /nfs/dbraw/zinc/01/67/53/174016753.db2.gz PDSNHDJQEQMSQT-CYBMUJFWSA-N 1 0 278.396 2.365 10 0 CEAERO CCCOc1cccc(C[NH2+]CCC(=O)OC)c1 ZINC000038038275 174038534 /nfs/dbraw/zinc/03/85/34/174038534.db2.gz POJSFJPHMAXJFZ-UHFFFAOYSA-N 1 0 251.326 2.128 10 0 CEAERO CC(C)CC[C@@H](C)NC(=O)[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000038043217 174049754 /nfs/dbraw/zinc/04/97/54/174049754.db2.gz AXLXPCUGOCQEBS-ZBFHGGJFSA-N 1 0 295.471 2.144 10 0 CEAERO CC[NH2+]CCCNc1ccc(Br)cn1 ZINC000038043487 174050955 /nfs/dbraw/zinc/05/09/55/174050955.db2.gz ROIXAMJTAJUBBR-UHFFFAOYSA-N 1 0 258.163 2.256 10 0 CEAERO O[C@H](C[NH2+]C[C@H]1CCCOC1)COc1cccc(Cl)c1 ZINC000038045362 174053932 /nfs/dbraw/zinc/05/39/32/174053932.db2.gz AFXVJDCERHOLQF-TZMCWYRMSA-N 1 0 299.798 2.096 10 0 CEAERO CC(C)[C@H]([NH2+]CCCS(C)(=O)=O)c1cccs1 ZINC000038047640 174058184 /nfs/dbraw/zinc/05/81/84/174058184.db2.gz MMEPIUFAZHPOTF-LBPRGKRZSA-N 1 0 275.439 2.470 10 0 CEAERO c1coc([C@H]([NH2+]C[C@@H]2COCCO2)c2ccccc2)c1 ZINC000038060357 174071063 /nfs/dbraw/zinc/07/10/63/174071063.db2.gz BESQBKLJBBZOID-GDBMZVCRSA-N 1 0 273.332 2.374 10 0 CEAERO CC[C@H](C)[NH2+][C@@]1(C(N)=O)CCCCc2ccccc21 ZINC000038065343 174075895 /nfs/dbraw/zinc/07/58/95/174075895.db2.gz VEASFQJGCJOAAP-LRDDRELGSA-N 1 0 260.381 2.482 10 0 CEAERO Cc1csc2nc(C)c(C[NH2+]C[C@@H](C)N(C)C)n12 ZINC000038087563 174099843 /nfs/dbraw/zinc/09/98/43/174099843.db2.gz YSBZTBUROJJNDO-SECBINFHSA-N 1 0 266.414 2.052 10 0 CEAERO O[C@@H](C[NH2+]CC[C@@H]1CCCO1)c1ccc(F)cc1F ZINC000038096788 174111018 /nfs/dbraw/zinc/11/10/18/174111018.db2.gz YOWQZKURTXUFGC-FZMZJTMJSA-N 1 0 271.307 2.157 10 0 CEAERO CC(C)(C)OC(=O)NCC1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000038343319 174140751 /nfs/dbraw/zinc/14/07/51/174140751.db2.gz XAILJKCJTUISLC-YOGCLGLASA-N 1 0 254.374 2.432 10 0 CEAERO COc1cccc(-c2noc3c2C[N@@H+]([C@H](C)CO)CC3)c1 ZINC000039500492 174169280 /nfs/dbraw/zinc/16/92/80/174169280.db2.gz XYSMZJJVBBONTF-LLVKDONJSA-N 1 0 288.347 2.089 10 0 CEAERO COC(=O)c1ccccc1CN1CC[NH2+]C[C@H]1CC(C)C ZINC000039952607 174177849 /nfs/dbraw/zinc/17/78/49/174177849.db2.gz APMFYNNJNLMQGZ-OAHLLOKOSA-N 1 0 290.407 2.293 10 0 CEAERO CC(C)CN(CC[NH+](C)C)C(=O)[C@@H]1Cc2ccccc2N1 ZINC000040468689 174276962 /nfs/dbraw/zinc/27/69/62/174276962.db2.gz WESRCQHRZWDSJU-INIZCTEOSA-N 1 0 289.423 2.069 10 0 CEAERO CC(C)(C)C[NH2+]C[C@H](O)COCc1ccccc1F ZINC000040493571 174293374 /nfs/dbraw/zinc/29/33/74/174293374.db2.gz YHXRWFYABPDOAC-ZDUSSCGKSA-N 1 0 269.360 2.339 10 0 CEAERO C[C@@H]([NH3+])c1ccc(S(=O)(=O)NCC(C)(C)C)cc1 ZINC000040495023 174293655 /nfs/dbraw/zinc/29/36/55/174293655.db2.gz HSNRACSYXZJGLA-SNVBAGLBSA-N 1 0 270.398 2.031 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCC(C)(C)C)cc1 ZINC000040495024 174293881 /nfs/dbraw/zinc/29/38/81/174293881.db2.gz JVQGXKQVBKOFJD-NSHDSACASA-N 1 0 284.425 2.291 10 0 CEAERO Cc1cccc(CC[C@H](C)[NH2+]CCN2CCOCC2)c1 ZINC000040500466 174296930 /nfs/dbraw/zinc/29/69/30/174296930.db2.gz UFCQFDFXKUYSTD-INIZCTEOSA-N 1 0 276.424 2.238 10 0 CEAERO CCN1CCC[C@H]([NH2+]Cc2c(C)nc3sccn23)C1 ZINC000040502785 174298633 /nfs/dbraw/zinc/29/86/33/174298633.db2.gz HBWNJIIROWAWJE-LBPRGKRZSA-N 1 0 278.425 2.278 10 0 CEAERO CCN1CCC[C@@H]([NH2+][C@@H]2CCc3c2cccc3O)C1 ZINC000040502708 174299054 /nfs/dbraw/zinc/29/90/54/174299054.db2.gz ICTBPLOEAAUAMT-IUODEOHRSA-N 1 0 260.381 2.453 10 0 CEAERO CCN1CCC[C@@H]([NH2+]Cc2ccc3c(c2)OCCCO3)C1 ZINC000040502990 174299584 /nfs/dbraw/zinc/29/95/84/174299584.db2.gz HREWMXYBLZPOCY-OAHLLOKOSA-N 1 0 290.407 2.422 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)N[C@H](C)c1sc(C)nc1C ZINC000040519103 174308632 /nfs/dbraw/zinc/30/86/32/174308632.db2.gz UQULMPPOCQELNV-PSASIEDQSA-N 1 0 255.387 2.065 10 0 CEAERO Cc1nc(C)c([C@H](C)NC(=O)C2CCC([NH3+])CC2)s1 ZINC000040519033 174308758 /nfs/dbraw/zinc/30/87/58/174308758.db2.gz MYMYCUTUPYAFSZ-GCVQQVDUSA-N 1 0 281.425 2.455 10 0 CEAERO C[NH2+]C[C@H]1CCCN([C@@H](C)c2ccc(O)c(OC)c2)C1 ZINC000040592468 174347542 /nfs/dbraw/zinc/34/75/42/174347542.db2.gz DIJVQNNDLASFDC-QWHCGFSZSA-N 1 0 278.396 2.393 10 0 CEAERO COC(=O)NC[C@@H](c1ccco1)[NH+]1CCC(C)CC1 ZINC000040614781 174353690 /nfs/dbraw/zinc/35/36/90/174353690.db2.gz OKMGEFNELGYRKB-LBPRGKRZSA-N 1 0 266.341 2.409 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2ccc3ccccc3c2)C1 ZINC000040632818 174358970 /nfs/dbraw/zinc/35/89/70/174358970.db2.gz CXHJWEJTUKVPOR-GJZGRUSLSA-N 1 0 270.332 2.155 10 0 CEAERO CCCOc1cc(C)ccc1NC(=O)[C@@H]1C[C@@H](OC)C[NH2+]1 ZINC000040634289 174360347 /nfs/dbraw/zinc/36/03/47/174360347.db2.gz RLHFVSPWWPZNFU-OCCSQVGLSA-N 1 0 292.379 2.099 10 0 CEAERO CCSc1ccccc1NC(=O)[C@@H]1C[C@H](OC)C[NH2+]1 ZINC000040634320 174360618 /nfs/dbraw/zinc/36/06/18/174360618.db2.gz YARVEEGCFRRLEJ-JQWIXIFHSA-N 1 0 280.393 2.114 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](c2nc(-c3ccccc3)c(C)[nH]2)C1 ZINC000040637910 174361801 /nfs/dbraw/zinc/36/18/01/174361801.db2.gz PKQUYUGRFRXHGZ-CHWSQXEVSA-N 1 0 257.337 2.435 10 0 CEAERO CO[C@H]1C[NH2+][C@H](c2nc(-c3ccc(C)s3)c[nH]2)C1 ZINC000040637793 174362121 /nfs/dbraw/zinc/36/21/21/174362121.db2.gz GAISLGUOGJXHNQ-ZJUUUORDSA-N 1 0 263.366 2.496 10 0 CEAERO C[C@@H]1CCC[C@@](C[NH2+][C@@H]2CCCC[C@@H]2O)(N(C)C)C1 ZINC000040669392 174368199 /nfs/dbraw/zinc/36/81/99/174368199.db2.gz CLXKXEXOWISDTA-LVQVYYBASA-N 1 0 268.445 2.390 10 0 CEAERO C[C@H]([NH2+]C(C)(C)C(N)=O)c1cccc(Br)c1 ZINC000040674053 174372025 /nfs/dbraw/zinc/37/20/25/174372025.db2.gz FPUVQNSUMVCDKU-QMMMGPOBSA-N 1 0 285.185 2.364 10 0 CEAERO CC(C)([NH2+][C@@H](c1ccc(F)cc1)C1CC1)C(N)=O ZINC000040674725 174373460 /nfs/dbraw/zinc/37/34/60/174373460.db2.gz YYBDPJZAWSRZLW-GFCCVEGCSA-N 1 0 250.317 2.130 10 0 CEAERO CC(C)[NH2+]CCCC(=O)N1CCOc2ccccc2C1 ZINC000040677773 174374397 /nfs/dbraw/zinc/37/43/97/174374397.db2.gz IRWCKKVFBUIRJM-UHFFFAOYSA-N 1 0 276.380 2.186 10 0 CEAERO Cc1ccnc(Nc2nc[nH+]c(NNC(C)(C)C)c2N)c1 ZINC000040701411 174378895 /nfs/dbraw/zinc/37/88/95/174378895.db2.gz AGYAWBOHALEEHD-UHFFFAOYSA-N 1 0 287.371 2.221 10 0 CEAERO NC(=[NH2+])c1ccccc1COc1ccc(CO)cc1 ZINC000040711127 174381263 /nfs/dbraw/zinc/38/12/63/174381263.db2.gz QPBDXWXYVRFJIO-UHFFFAOYSA-N 1 0 256.305 2.042 10 0 CEAERO CC[NH2+]Cc1c(C)nn(C)c1Oc1ccc(CO)cc1 ZINC000040711251 174381309 /nfs/dbraw/zinc/38/13/09/174381309.db2.gz XMGMFSNOPBTVJH-UHFFFAOYSA-N 1 0 275.352 2.123 10 0 CEAERO C[N@@H+]1CCC[C@@H](Nc2ccc(N)c3ncccc23)C1 ZINC000040715779 174382670 /nfs/dbraw/zinc/38/26/70/174382670.db2.gz DDZRQQUBFILBFC-LLVKDONJSA-N 1 0 256.353 2.323 10 0 CEAERO CCCOc1ccc([C@@H]([NH3+])Cn2cnc(C)cc2=O)cc1 ZINC000040728055 174387700 /nfs/dbraw/zinc/38/77/00/174387700.db2.gz RRFKIGIQDWVPAV-HNNXBMFYSA-N 1 0 287.363 2.041 10 0 CEAERO Cc1nn(C[C@@H](O)c2ccc(C[NH3+])cc2)c(C)c1C ZINC000040729126 174388302 /nfs/dbraw/zinc/38/83/02/174388302.db2.gz YQDHCCRXHGUQIQ-OAHLLOKOSA-N 1 0 259.353 2.001 10 0 CEAERO [NH3+][C@@H](CC(=O)Nc1ccc(CCO)cc1)c1ccccc1 ZINC000040739207 174390040 /nfs/dbraw/zinc/39/00/40/174390040.db2.gz YWELXJQLUCASMP-INIZCTEOSA-N 1 0 284.359 2.250 10 0 CEAERO CN(Cc1cn2ccccc2n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747121 174392902 /nfs/dbraw/zinc/39/29/02/174392902.db2.gz JTAQTCLOMRRNDV-NNQSOWQGSA-N 1 0 270.380 2.049 10 0 CEAERO CCN(Cc1nnsc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748379 174393113 /nfs/dbraw/zinc/39/31/13/174393113.db2.gz SHNPEWDJMDRAEC-ULKQDVFKSA-N 1 0 286.832 2.296 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)/C=C/c1ccc(F)cc1 ZINC000040749712 174394486 /nfs/dbraw/zinc/39/44/86/174394486.db2.gz ULQATCZMTVREHJ-GBVAZSLVSA-N 1 0 274.339 2.320 10 0 CEAERO CCCc1cc(N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ncn1 ZINC000040765815 174397507 /nfs/dbraw/zinc/39/75/07/174397507.db2.gz FSXZOUYVTUCDAF-PBWFPOADSA-N 1 0 260.385 2.148 10 0 CEAERO Cc1csc(NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)n1 ZINC000040770408 174399938 /nfs/dbraw/zinc/39/99/38/174399938.db2.gz OWEODSOQRQSKOW-ZDUSSCGKSA-N 1 0 282.457 2.135 10 0 CEAERO CN(C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)[C@@H]1CCC[NH2+]CC1 ZINC000402776330 414759193 /nfs/dbraw/zinc/75/91/93/414759193.db2.gz ARVZZUPWNHFXHP-LXTVHRRPSA-N 1 0 262.397 2.189 10 0 CEAERO [NH3+]CCc1noc(-c2ccc(F)cc2Br)n1 ZINC000041062026 174465750 /nfs/dbraw/zinc/46/57/50/174465750.db2.gz MPCZIOWYYPOSHR-UHFFFAOYSA-N 1 0 286.104 2.139 10 0 CEAERO C[C@@H](NC(=O)CCCC[NH3+])c1cc(F)ccc1F ZINC000070201798 414767721 /nfs/dbraw/zinc/76/77/21/414767721.db2.gz YGSXFKRTWATONG-SECBINFHSA-N 1 0 256.296 2.271 10 0 CEAERO NC(=[NH2+])c1ccc(OCCn2cnc3ccccc32)cc1 ZINC000041068737 174469412 /nfs/dbraw/zinc/46/94/12/174469412.db2.gz HSSFIOYZGNDDBY-UHFFFAOYSA-N 1 0 280.331 2.399 10 0 CEAERO [NH3+][C@H]1CCC[C@H](C(=O)N[C@@H]2CCc3ccccc32)C1 ZINC000070574384 414772609 /nfs/dbraw/zinc/77/26/09/414772609.db2.gz VZJAANUIOZSHDK-KCQAQPDRSA-N 1 0 258.365 2.308 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1)C1CCCC1 ZINC000407411744 414800463 /nfs/dbraw/zinc/80/04/63/414800463.db2.gz WDNSFVBBTQKTKE-GDLCADMTSA-N 1 0 250.386 2.212 10 0 CEAERO COc1cccnc1N1CCC([NH2+]CC2CC2)CC1 ZINC000128489831 414808673 /nfs/dbraw/zinc/80/86/73/414808673.db2.gz UHFKGFISVDJMJD-UHFFFAOYSA-N 1 0 261.369 2.059 10 0 CEAERO CC[C@H](NC(=O)C(C)(C)N1CC[NH2+]CC1)C1CCCCC1 ZINC000129728393 414813563 /nfs/dbraw/zinc/81/35/63/414813563.db2.gz XKWICOIGSCPPBJ-HNNXBMFYSA-N 1 0 295.471 2.145 10 0 CEAERO CN(C(=O)c1ccc(Cl)s1)[C@H](C[NH3+])C(F)(F)F ZINC000662976758 414816278 /nfs/dbraw/zinc/81/62/78/414816278.db2.gz QFICERZBMJJYGS-ZCFIWIBFSA-N 1 0 286.706 2.363 10 0 CEAERO CCOc1ccc(C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)cc1 ZINC000662978184 414817024 /nfs/dbraw/zinc/81/70/24/414817024.db2.gz YXLVHZDFEOXAGZ-NSHDSACASA-N 1 0 290.285 2.047 10 0 CEAERO Cc1cc(F)cc(C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)c1 ZINC000662982526 414818638 /nfs/dbraw/zinc/81/86/38/414818638.db2.gz ZFKZLBWROKNFCE-JTQLQIEISA-N 1 0 278.249 2.096 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(NC(=O)N2CCC[C@H](CO)C2)cc1 ZINC000041707671 174610843 /nfs/dbraw/zinc/61/08/43/174610843.db2.gz QGPLYDWZCBLJTN-STQMWFEESA-N 1 0 291.395 2.203 10 0 CEAERO C[C@@H]([NH3+])c1cccc(NC(=O)N2CCSCC2)c1 ZINC000041712139 174613738 /nfs/dbraw/zinc/61/37/38/174613738.db2.gz RORPDHNKFDKSGU-SNVBAGLBSA-N 1 0 265.382 2.287 10 0 CEAERO O[C@@H]1CCC[C@H]([NH2+]Cc2ccc(F)c(F)c2F)C1 ZINC000657325754 414859819 /nfs/dbraw/zinc/85/98/19/414859819.db2.gz KQTNYJBLISOTQW-VHSXEESVSA-N 1 0 259.271 2.497 10 0 CEAERO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CCn1cc(Cl)cn1 ZINC000312221646 414862689 /nfs/dbraw/zinc/86/26/89/414862689.db2.gz BDNNEMMKXJHAPF-LSDHHAIUSA-N 1 0 296.846 2.485 10 0 CEAERO CC(C)Oc1ncccc1C[NH2+]C[C@H](O)C(C)(C)C ZINC000311952276 414862749 /nfs/dbraw/zinc/86/27/49/414862749.db2.gz MYQZHBJKKTYXRC-ZDUSSCGKSA-N 1 0 266.385 2.365 10 0 CEAERO CCC(=O)Nc1cccc(NC(=O)C[C@H]2CCC[NH2+]2)c1 ZINC000042171278 174651441 /nfs/dbraw/zinc/65/14/41/174651441.db2.gz OOPUJTLSJDKWBQ-LLVKDONJSA-N 1 0 275.352 2.116 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1ccc2ccncc2c1 ZINC000653052728 414887207 /nfs/dbraw/zinc/88/72/07/414887207.db2.gz KPHPWVMBIUYSNC-UKRRQHHQSA-N 1 0 269.348 2.092 10 0 CEAERO Cc1cnc(SCc2cccc(C(N)=[NH2+])c2)nc1 ZINC000042404623 174711844 /nfs/dbraw/zinc/71/18/44/174711844.db2.gz YJBRUQDAJYFBBO-UHFFFAOYSA-N 1 0 258.350 2.361 10 0 CEAERO Cc1c[nH]c(C[NH2+][C@H](C)COCc2ccccc2)n1 ZINC000657377766 414898201 /nfs/dbraw/zinc/89/82/01/414898201.db2.gz GAVCYJMFXFEEOX-CYBMUJFWSA-N 1 0 259.353 2.413 10 0 CEAERO Cc1ncc(C[NH2+][C@@H](C)COCc2ccccc2)n1C ZINC000657378876 414898981 /nfs/dbraw/zinc/89/89/81/414898981.db2.gz NKDVZDPDBLQHTK-ZDUSSCGKSA-N 1 0 273.380 2.423 10 0 CEAERO Cc1sc2ncnc(NCC34CC(C3)C[NH2+]4)c2c1C ZINC000663273749 414900601 /nfs/dbraw/zinc/90/06/01/414900601.db2.gz HIPWBTMCVXBDIR-UHFFFAOYSA-N 1 0 274.393 2.472 10 0 CEAERO CCC1CCN(c2nc3sccn3c2C[NH3+])CC1 ZINC000042447185 174741572 /nfs/dbraw/zinc/74/15/72/174741572.db2.gz SPVJJUCMIOOFQQ-UHFFFAOYSA-N 1 0 264.398 2.481 10 0 CEAERO CC(C)Cc1ccc(C[NH2+]C[C@H]2CC(=O)N(C)C2)cc1 ZINC000657697249 415052823 /nfs/dbraw/zinc/05/28/23/415052823.db2.gz OBRONLTWVYWVCK-MRXNPFEDSA-N 1 0 274.408 2.453 10 0 CEAERO CCN(C[C@@H]([NH3+])Cc1ccccc1)CC(F)(F)F ZINC000042781674 174877016 /nfs/dbraw/zinc/87/70/16/174877016.db2.gz WQSBKWSCXAKCKM-LBPRGKRZSA-N 1 0 260.303 2.441 10 0 CEAERO CC[C@@H]1COCCN1[C@@H](c1ccc(F)cc1)[C@@H](C)[NH3+] ZINC000042914652 174914329 /nfs/dbraw/zinc/91/43/29/174914329.db2.gz PXUPXEHKTNNGDC-KCPJHIHWSA-N 1 0 266.360 2.325 10 0 CEAERO NC(=O)c1ccccc1O[C@H](C[NH3+])c1cccc(F)c1 ZINC000042973846 174937176 /nfs/dbraw/zinc/93/71/76/174937176.db2.gz AQRICISCRQENCV-CQSZACIVSA-N 1 0 274.295 2.003 10 0 CEAERO [NH3+]C[C@@H](c1cccc(Br)c1)n1cccn1 ZINC000043022004 174945234 /nfs/dbraw/zinc/94/52/34/174945234.db2.gz RXSUIUHZQSOBJR-NSHDSACASA-N 1 0 266.142 2.194 10 0 CEAERO CCCCOC[C@H](O)C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000653812034 415114953 /nfs/dbraw/zinc/11/49/53/415114953.db2.gz ADJHVQPLJSVWHB-ZBFHGGJFSA-N 1 0 285.428 2.198 10 0 CEAERO CCOC1CCC([NH2+][C@H]2CCCC[C@H]2CO)CC1 ZINC000657890492 415117042 /nfs/dbraw/zinc/11/70/42/415117042.db2.gz SFVDTQWUNGEROS-PPWQZUPISA-N 1 0 255.402 2.475 10 0 CEAERO C[C@@H]([NH3+])[C@@H](Oc1ccc(C(N)=O)cc1)c1cccs1 ZINC000043110461 174974058 /nfs/dbraw/zinc/97/40/58/174974058.db2.gz NBDOOAHJFDTMNX-NOZJJQNGSA-N 1 0 276.361 2.314 10 0 CEAERO COc1nc2ccccc2nc1NC[C@@H]1CCC[NH2+]C1 ZINC000043220278 174984994 /nfs/dbraw/zinc/98/49/94/174984994.db2.gz SROBWNMYVYPHPW-LLVKDONJSA-N 1 0 272.352 2.050 10 0 CEAERO Cc1nc(C)n([C@@H](c2ccc(C)s2)[C@H](C)[NH3+])n1 ZINC000043243700 174990824 /nfs/dbraw/zinc/99/08/24/174990824.db2.gz FABPAZPWNWIFNC-QPUJVOFHSA-N 1 0 250.371 2.201 10 0 CEAERO [NH3+]C[C@H](SCCO)c1cc(Br)cs1 ZINC000043290961 174997596 /nfs/dbraw/zinc/99/75/96/174997596.db2.gz CIODKGYMYJPKAE-QMMMGPOBSA-N 1 0 282.228 2.236 10 0 CEAERO COc1ccccc1[C@@H](C[NH3+])n1ccc(C(F)(F)F)n1 ZINC000043298055 174999338 /nfs/dbraw/zinc/99/93/38/174999338.db2.gz HMDMSVSSLIKEJR-SNVBAGLBSA-N 1 0 285.269 2.459 10 0 CEAERO CC(C)(C)c1ccc([C@H]([NH3+])[C@H]2CCS(=O)(=O)C2)cc1 ZINC000043299991 175000804 /nfs/dbraw/zinc/00/08/04/175000804.db2.gz BEXQOPQVZFDAOO-JSGCOSHPSA-N 1 0 281.421 2.419 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccco1)N(C)CCc1ccccn1 ZINC000043334606 175010483 /nfs/dbraw/zinc/01/04/83/175010483.db2.gz HQDSWRCYBVMNSU-IUODEOHRSA-N 1 0 259.353 2.237 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccco1)N1CCCC[C@@H]1CCO ZINC000043334495 175010561 /nfs/dbraw/zinc/01/05/61/175010561.db2.gz GPIGYUFCTOYIMO-VNHYZAJKSA-N 1 0 266.385 2.295 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1nccc(=O)[nH]1)c1ccco1 ZINC000043338398 175013192 /nfs/dbraw/zinc/01/31/92/175013192.db2.gz KRQAXQGKVSOLPI-LDYMZIIASA-N 1 0 265.338 2.346 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccccn1)N(C)C[C@@H]1CCCCO1 ZINC000043340059 175014820 /nfs/dbraw/zinc/01/48/20/175014820.db2.gz XLVXEWANGGVLLU-OFQRWUPVSA-N 1 0 277.412 2.361 10 0 CEAERO Cc1nc2ccccc2n1[C@@H](C[NH3+])c1ccccn1 ZINC000043341346 175015295 /nfs/dbraw/zinc/01/52/95/175015295.db2.gz HNLWHFKRBPNWHQ-HNNXBMFYSA-N 1 0 252.321 2.288 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1ccccn1)n1cnc2ccccc21 ZINC000043341330 175015386 /nfs/dbraw/zinc/01/53/86/175015386.db2.gz GNYNUXNDNXPIBU-NHYWBVRUSA-N 1 0 252.321 2.368 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1cccnc1)N(CC)C[C@@H]1CCCO1 ZINC000043347566 175017880 /nfs/dbraw/zinc/01/78/80/175017880.db2.gz AZGSIRXMPYTSDP-HRCADAONSA-N 1 0 277.412 2.361 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1cccnc1)N1CCCSCC1 ZINC000043347396 175018212 /nfs/dbraw/zinc/01/82/12/175018212.db2.gz JNUUBRYZJLURAG-KBPBESRZSA-N 1 0 265.426 2.299 10 0 CEAERO C[C@H]([NH3+])[C@@H](OCc1ccc2c(c1)OCO2)c1cccnc1 ZINC000043350264 175019369 /nfs/dbraw/zinc/01/93/69/175019369.db2.gz BEBSFAXJODBSEA-MEDUHNTESA-N 1 0 286.331 2.415 10 0 CEAERO C[C@H]([NH3+])[C@@H](Oc1ccc2c(c1)OCO2)c1cccnc1 ZINC000043350563 175019571 /nfs/dbraw/zinc/01/95/71/175019571.db2.gz ULBPNCKXBXSERR-ZUZCIYMTSA-N 1 0 272.304 2.278 10 0 CEAERO CCOC(=O)CS[C@@H](c1cccnc1)[C@@H]([NH3+])CC ZINC000043352646 175020262 /nfs/dbraw/zinc/02/02/62/175020262.db2.gz VFJWCLGCUAVEEK-AAEUAGOBSA-N 1 0 268.382 2.156 10 0 CEAERO COc1ccccc1CN(C)[C@@H](C[NH3+])c1ccncc1 ZINC000043354039 175021572 /nfs/dbraw/zinc/02/15/72/175021572.db2.gz JUCPBUKNQBZOPC-HNNXBMFYSA-N 1 0 271.364 2.222 10 0 CEAERO CCc1c(C)nn([C@H](c2ccncc2)[C@@H](C)[NH3+])c1C ZINC000043355008 175023005 /nfs/dbraw/zinc/02/30/05/175023005.db2.gz KDURJCHLFDDAQF-BMIGLBTASA-N 1 0 258.369 2.394 10 0 CEAERO [NH3+]C[C@H](OCCCc1ccncc1)c1ccncc1 ZINC000043356060 175023453 /nfs/dbraw/zinc/02/34/53/175023453.db2.gz NEIGLQVFFKUASS-HNNXBMFYSA-N 1 0 257.337 2.126 10 0 CEAERO Cc1nnc(S[C@H](c2ccncc2)[C@@H](C)[NH3+])s1 ZINC000043363499 175024001 /nfs/dbraw/zinc/02/40/01/175024001.db2.gz DFIIIMABHTYKFW-XCBNKYQSSA-N 1 0 266.395 2.422 10 0 CEAERO C[C@@H]([NH3+])[C@@H](Sc1nncs1)c1ccncc1 ZINC000043363247 175024091 /nfs/dbraw/zinc/02/40/91/175024091.db2.gz GWNAHNWGWXTVIV-VXNVDRBHSA-N 1 0 252.368 2.114 10 0 CEAERO Cc1ccc([C@H](Oc2ccc(C(N)=O)cc2)[C@@H](C)[NH3+])o1 ZINC000043366657 175027340 /nfs/dbraw/zinc/02/73/40/175027340.db2.gz XPOUIQCAKSXZFF-QMTHXVAHSA-N 1 0 274.320 2.154 10 0 CEAERO C[C@H]([NH3+])[C@H](N1CCC[C@@H]1c1ccncc1)C(F)(F)F ZINC000043377554 175030029 /nfs/dbraw/zinc/03/00/29/175030029.db2.gz WPCRJFHDLDUXFW-WCQGTBRESA-N 1 0 273.302 2.497 10 0 CEAERO CCO[C@H]1CCCN([C@@H]([C@@H]([NH3+])CC)C(F)(F)F)C1 ZINC000043378805 175030820 /nfs/dbraw/zinc/03/08/20/175030820.db2.gz QZWMWBJKOXESQO-DCAQKATOSA-N 1 0 268.323 2.156 10 0 CEAERO C[C@@H]([NH3+])[C@@H](Oc1cccc(N(C)C)c1)C(F)(F)F ZINC000043385359 175031788 /nfs/dbraw/zinc/03/17/88/175031788.db2.gz IJZZZAJEFUEUDV-LDYMZIIASA-N 1 0 262.275 2.410 10 0 CEAERO Cc1cc(C)cc([C@@H](C[NH3+])N2CCSCC2)c1 ZINC000043393949 175034812 /nfs/dbraw/zinc/03/48/12/175034812.db2.gz XTXDECQGDIRQAV-CQSZACIVSA-N 1 0 250.411 2.352 10 0 CEAERO CC(C)N(CC1CC1)c1nc2c(cc1C(N)=[NH2+])CCC2 ZINC000043406799 175037220 /nfs/dbraw/zinc/03/72/20/175037220.db2.gz XJJBZCZSSUGPST-UHFFFAOYSA-N 1 0 272.396 2.479 10 0 CEAERO CCN(CC)CC[NH2+]Cc1ccc(O)c(Cl)c1 ZINC000043476828 175054665 /nfs/dbraw/zinc/05/46/65/175054665.db2.gz ZLIUTIXEOVULAX-UHFFFAOYSA-N 1 0 256.777 2.477 10 0 CEAERO CCN(C(=O)[C@@H]1C[NH2+]CCO1)c1cccc2ccccc21 ZINC000043707623 175100766 /nfs/dbraw/zinc/10/07/66/175100766.db2.gz KHEJFMZEAYEZKY-INIZCTEOSA-N 1 0 284.359 2.181 10 0 CEAERO C[NH2+][C@@H](CN1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000043813979 175111842 /nfs/dbraw/zinc/11/18/42/175111842.db2.gz TYSDLSMQZIWESZ-AWEZNQCLSA-N 1 0 276.380 2.204 10 0 CEAERO CCC[NH2+][C@H](CN(C)C)c1ccc(OC)cc1OC ZINC000043816177 175112564 /nfs/dbraw/zinc/11/25/64/175112564.db2.gz XABMSZRJDSJHGP-CQSZACIVSA-N 1 0 266.385 2.306 10 0 CEAERO CCC[NH2+][C@@H]1CCOC[C@H]1N1CCCCCCC1 ZINC000043819368 175113762 /nfs/dbraw/zinc/11/37/62/175113762.db2.gz MJBDLQBTSJTCKA-HUUCEWRRSA-N 1 0 254.418 2.410 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2C[C@H]1N(C)CCc1ccccn1 ZINC000043818738 175114080 /nfs/dbraw/zinc/11/40/80/175114080.db2.gz YLARRUOZXCRUFE-QZTJIDSGSA-N 1 0 281.403 2.441 10 0 CEAERO CCC[NH2+][C@@H]1CCCC[C@@H]1N1CCC(OC)CC1 ZINC000043890416 175118124 /nfs/dbraw/zinc/11/81/24/175118124.db2.gz WHGKCFNODOERSW-CABCVRRESA-N 1 0 254.418 2.408 10 0 CEAERO CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N1CCC(OC)CC1 ZINC000043890155 175118162 /nfs/dbraw/zinc/11/81/62/175118162.db2.gz PWQSAJRWRPHXHY-SNPRPXQTSA-N 1 0 254.418 2.264 10 0 CEAERO C[NH2+][C@@H](CN1CCOC[C@@H]1C)c1cc2ccccc2o1 ZINC000043891249 175118241 /nfs/dbraw/zinc/11/82/41/175118241.db2.gz DRIPNYMKKQPOHD-JSGCOSHPSA-N 1 0 274.364 2.414 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2C[C@@H]1N(C)Cc1cccnc1 ZINC000043893462 175118383 /nfs/dbraw/zinc/11/83/83/175118383.db2.gz FGNBVOXCJGDPIS-DLBZAZTESA-N 1 0 267.376 2.399 10 0 CEAERO C[NH2+][C@H](CN(C)Cc1cccnc1)c1ccccc1OC ZINC000043893415 175118386 /nfs/dbraw/zinc/11/83/86/175118386.db2.gz YSQZBSCIXMBYOI-MRXNPFEDSA-N 1 0 285.391 2.483 10 0 CEAERO CC[NH2+][C@@H](CN1CCO[C@@H](CC)C1)c1ccccc1 ZINC000043893009 175118390 /nfs/dbraw/zinc/11/83/90/175118390.db2.gz SSNILOVLMPWBBA-HOTGVXAUSA-N 1 0 262.397 2.448 10 0 CEAERO CCC[NH2+][C@H](CN1CCOC[C@@H]1C)c1ccc(OC)cc1 ZINC000043891817 175118463 /nfs/dbraw/zinc/11/84/63/175118463.db2.gz XDYQUWYDQYDSDJ-WMLDXEAASA-N 1 0 292.423 2.457 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2C[C@@H]1N(C)Cc1ccncc1 ZINC000043893858 175118620 /nfs/dbraw/zinc/11/86/20/175118620.db2.gz LYRHSQYBVAQPNE-DLBZAZTESA-N 1 0 267.376 2.399 10 0 CEAERO C[NH2+][C@@H](CN(C)Cc1ccncc1)c1ccccc1 ZINC000043893779 175118695 /nfs/dbraw/zinc/11/86/95/175118695.db2.gz YCZDNUXUXMWSFC-INIZCTEOSA-N 1 0 255.365 2.474 10 0 CEAERO C[NH2+][C@H](CN(C)C1CCOCC1)c1ccc(C)cc1 ZINC000043898108 175121442 /nfs/dbraw/zinc/12/14/42/175121442.db2.gz HMJPTJIYKPFENJ-MRXNPFEDSA-N 1 0 262.397 2.366 10 0 CEAERO C[NH2+][C@H](CN(C)CC(F)(F)F)c1ccc2c(c1)OCO2 ZINC000043900612 175121709 /nfs/dbraw/zinc/12/17/09/175121709.db2.gz KOPXQMVBTARHDK-SNVBAGLBSA-N 1 0 290.285 2.170 10 0 CEAERO CC[NH2+][C@H](c1ccccc1)[C@H](C)N(C)CCOC ZINC000043915730 175124813 /nfs/dbraw/zinc/12/48/13/175124813.db2.gz OCEKFBWCRUDXHU-ZFWWWQNUSA-N 1 0 250.386 2.304 10 0 CEAERO CC[NH2+][C@H](CN(C)CCOC)c1ccc(CC)cc1 ZINC000043916058 175124999 /nfs/dbraw/zinc/12/49/99/175124999.db2.gz UIYLJEQCBYLPSH-MRXNPFEDSA-N 1 0 264.413 2.478 10 0 CEAERO CC[NH2+][C@H](CN1CCOCC1(C)C)c1cccc(OC)c1 ZINC000043917053 175125757 /nfs/dbraw/zinc/12/57/57/175125757.db2.gz SRZGSVMJPNUKKP-MRXNPFEDSA-N 1 0 292.423 2.457 10 0 CEAERO CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N(C)C[C@@H]1CCCO1 ZINC000043966036 175127012 /nfs/dbraw/zinc/12/70/12/175127012.db2.gz FTZVJIFIQSVXSN-QPSCCSFWSA-N 1 0 254.418 2.264 10 0 CEAERO C[NH2+][C@H](CN(C)C[C@@H]1CCCO1)c1ccccc1C ZINC000043965865 175127029 /nfs/dbraw/zinc/12/70/29/175127029.db2.gz MPIKDHYRRZNCKK-GOEBONIOSA-N 1 0 262.397 2.366 10 0 CEAERO C[NH2+][C@H](CN(C)Cc1cnn(C)c1)c1ccc(C)cc1 ZINC000043967121 175128302 /nfs/dbraw/zinc/12/83/02/175128302.db2.gz LSZWLPVSVBKBCT-MRXNPFEDSA-N 1 0 272.396 2.121 10 0 CEAERO CCC[C@H]([NH2+]CC)[C@@H](CC)N(C)Cc1cnn(C)c1 ZINC000043967265 175128522 /nfs/dbraw/zinc/12/85/22/175128522.db2.gz XUBUYEPSVCZBPG-LSDHHAIUSA-N 1 0 266.433 2.409 10 0 CEAERO CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N(C)Cc1cnn(C)c1 ZINC000043967234 175128653 /nfs/dbraw/zinc/12/86/53/175128653.db2.gz IDEGHJQNIXUEFE-SNPRPXQTSA-N 1 0 264.417 2.019 10 0 CEAERO CC[NH2+][C@H](CN(CC)CCOC)c1ccccc1OC ZINC000043968624 175130009 /nfs/dbraw/zinc/13/00/09/175130009.db2.gz WPXAACULBVFCLY-OAHLLOKOSA-N 1 0 280.412 2.314 10 0 CEAERO [NH3+]C[C@H]1CCCCN1Cc1ccc(Br)o1 ZINC000044540073 175201142 /nfs/dbraw/zinc/20/11/42/175201142.db2.gz KOGQFMNFQKBIOJ-SECBINFHSA-N 1 0 273.174 2.355 10 0 CEAERO CC[NH2+][C@H]1CCCc2cc(OCC(=O)N(C)C)ccc21 ZINC000044745630 175241982 /nfs/dbraw/zinc/24/19/82/175241982.db2.gz YPDYFQHKDUPWGO-HNNXBMFYSA-N 1 0 276.380 2.141 10 0 CEAERO Oc1ccc2c(c1)CCC[C@H]2[NH2+]CCN1CCCC1 ZINC000044746859 175242418 /nfs/dbraw/zinc/24/24/18/175242418.db2.gz YJBWPCPHWZELER-MRXNPFEDSA-N 1 0 260.381 2.455 10 0 CEAERO CN1CCC([NH2+][C@H]2CCCc3cc(O)ccc32)CC1 ZINC000044747045 175242792 /nfs/dbraw/zinc/24/27/92/175242792.db2.gz XJOYNNKMXSMUFW-INIZCTEOSA-N 1 0 260.381 2.453 10 0 CEAERO Cc1cc(N)ccc1C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000044748910 175244294 /nfs/dbraw/zinc/24/42/94/175244294.db2.gz CUHJKWZMPFAVMN-ZDUSSCGKSA-N 1 0 275.396 2.181 10 0 CEAERO CC[C@@H]1CO[C@@H](C)CN1C(=O)C1(C[NH3+])CCCCCC1 ZINC000044763303 175246982 /nfs/dbraw/zinc/24/69/82/175246982.db2.gz ATTGAEFXCHMALR-UONOGXRCSA-N 1 0 282.428 2.312 10 0 CEAERO CCCN(CC(F)(F)F)C(=O)C1(C[NH3+])CCCC1 ZINC000044764261 175248261 /nfs/dbraw/zinc/24/82/61/175248261.db2.gz SMUORHZZFVJRJK-UHFFFAOYSA-N 1 0 266.307 2.306 10 0 CEAERO [NH3+]C[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000044795299 175254839 /nfs/dbraw/zinc/25/48/39/175254839.db2.gz NOGHGKHOJVSXLN-AWEZNQCLSA-N 1 0 254.333 2.443 10 0 CEAERO CCCN(C(=O)[C@H](C[NH3+])Cc1ccccc1)C1CC1 ZINC000044800499 175255632 /nfs/dbraw/zinc/25/56/32/175255632.db2.gz PZUZULNRBRNBSD-AWEZNQCLSA-N 1 0 260.381 2.205 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)N(C)C1CCOCC1 ZINC000044802319 175256216 /nfs/dbraw/zinc/25/62/16/175256216.db2.gz GOQAWWNKSWFCRE-UHFFFAOYSA-N 1 0 270.417 2.169 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)N(CC)[C@@H](C)COC ZINC000044808084 175256823 /nfs/dbraw/zinc/25/68/23/175256823.db2.gz XKDVHNGBVGDXAL-ZDUSSCGKSA-N 1 0 272.433 2.415 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N(CCOC)C(CC)CC ZINC000044807857 175256998 /nfs/dbraw/zinc/25/69/98/175256998.db2.gz IERLNLJQEYPFRJ-GFCCVEGCSA-N 1 0 258.406 2.025 10 0 CEAERO CCN(C(=O)C[C@@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000044880660 175269472 /nfs/dbraw/zinc/26/94/72/175269472.db2.gz UQQUITZKAPKVBB-LBPRGKRZSA-N 1 0 250.317 2.321 10 0 CEAERO COCC[C@](C)(C[NH3+])N(C)Cc1ccccc1C ZINC000045043391 175294847 /nfs/dbraw/zinc/29/48/47/175294847.db2.gz AJDQZWBGYNZOHP-OAHLLOKOSA-N 1 0 250.386 2.181 10 0 CEAERO CC1(NS(=O)(=O)c2cccc(C[NH3+])c2)CCCCC1 ZINC000045046337 175295983 /nfs/dbraw/zinc/29/59/83/175295983.db2.gz XTTJAGKEMVTNNQ-UHFFFAOYSA-N 1 0 282.409 2.146 10 0 CEAERO CC1(NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)CCCCC1 ZINC000045046971 175296168 /nfs/dbraw/zinc/29/61/68/175296168.db2.gz VNZJWRKKYWGDME-AWEZNQCLSA-N 1 0 276.380 2.101 10 0 CEAERO CC(C)c1ccc([C@H](C)[NH2+]CCCS(N)(=O)=O)cc1 ZINC000045065051 175299401 /nfs/dbraw/zinc/29/94/01/175299401.db2.gz VCGMQSCSMOVARK-LBPRGKRZSA-N 1 0 284.425 2.139 10 0 CEAERO CC(C)CCOCC[NH2+]C[C@@H](O)CO[C@@H](C)CC(C)C ZINC000045106719 175308323 /nfs/dbraw/zinc/30/83/23/175308323.db2.gz PQNQGMGEBPVDBM-JKSUJKDBSA-N 1 0 289.460 2.451 10 0 CEAERO C[C@H](CNC(=O)[C@H]1C[C@@H](C)Nc2ccccc21)[NH+](C)C ZINC000045109890 175309323 /nfs/dbraw/zinc/30/93/23/175309323.db2.gz XXKNQLWZVIUXMC-BZPMIXESSA-N 1 0 275.396 2.041 10 0 CEAERO COC(=O)c1ccc(NC[C@@H]2CC[N@@H+](C(C)C)C2)c(N)c1 ZINC000045141367 175315867 /nfs/dbraw/zinc/31/58/67/175315867.db2.gz KPKARRNNKJWKLU-LBPRGKRZSA-N 1 0 291.395 2.198 10 0 CEAERO Cc1nn(C)c(C)c1[C@H](C)NCC(C)(C)C[NH+](C)C ZINC000045167182 175319473 /nfs/dbraw/zinc/31/94/73/175319473.db2.gz TYBNEIWEBNJZJY-NSHDSACASA-N 1 0 266.433 2.275 10 0 CEAERO CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000045171872 175320874 /nfs/dbraw/zinc/32/08/74/175320874.db2.gz PPLSERNSKPXYJD-RYUDHWBXSA-N 1 0 294.443 2.475 10 0 CEAERO CCCC[N@H+](C)C[C@](C)(NCCC)C(=O)OCC ZINC000045222068 175330511 /nfs/dbraw/zinc/33/05/11/175330511.db2.gz FWSMZEOUXFNVCI-AWEZNQCLSA-N 1 0 258.406 2.040 10 0 CEAERO CCCN[C@@](C)(C[N@H+]1C[C@H](C)C[C@H](C)C1)C(=O)OCC ZINC000045224519 175332894 /nfs/dbraw/zinc/33/28/94/175332894.db2.gz RHGBSBOGRRAGMV-LZWOXQAQSA-N 1 0 284.444 2.286 10 0 CEAERO CCC[NH+](CCC)C[C@@](NCC)(C(N)=O)c1ccccc1 ZINC000045230237 175334182 /nfs/dbraw/zinc/33/41/82/175334182.db2.gz JZZCXINJRPWISJ-KRWDZBQOSA-N 1 0 291.439 2.099 10 0 CEAERO CCCN[C@@](C)(C[NH+](CCC)CCC)C(=O)OCC ZINC000045230335 175335201 /nfs/dbraw/zinc/33/52/01/175335201.db2.gz RSBDGPADKPXDAF-HNNXBMFYSA-N 1 0 272.433 2.430 10 0 CEAERO CCOC(=O)[C@@](N)(C[N@H+](CC)C(C)C)c1ccccc1 ZINC000045265372 175338303 /nfs/dbraw/zinc/33/83/03/175338303.db2.gz IVVHLVMFFBRLFT-MRXNPFEDSA-N 1 0 278.396 2.134 10 0 CEAERO CCC[NH2+][C@@](C)(CC[N@H+](CCC)C(C)C)C(=O)[O-] ZINC000045266868 175339308 /nfs/dbraw/zinc/33/93/08/175339308.db2.gz LPUOQLDSHWUWLY-AWEZNQCLSA-N 1 0 258.406 2.340 10 0 CEAERO CCC[NH2+][C@](C)(CC[N@H+](CCC)C1CC1)C(=O)[O-] ZINC000045267942 175340171 /nfs/dbraw/zinc/34/01/71/175340171.db2.gz VSUGHNMDJNNKIB-CQSZACIVSA-N 1 0 256.390 2.094 10 0 CEAERO CCC[N@H+](CC[C@@](C)(NC1CC1)C(=O)OCC)C1CC1 ZINC000045268036 175340279 /nfs/dbraw/zinc/34/02/79/175340279.db2.gz VDNYYMGWKMKMLS-MRXNPFEDSA-N 1 0 282.428 2.325 10 0 CEAERO CCCCC[N@H+](C)CC[C@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045268194 175340647 /nfs/dbraw/zinc/34/06/47/175340647.db2.gz ZAPWLAQNFAGWOA-AWEZNQCLSA-N 1 0 258.406 2.340 10 0 CEAERO CCOC(=O)[C@@](C)(N)CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000045272138 175343266 /nfs/dbraw/zinc/34/32/66/175343266.db2.gz QGVXHUCTJWAJAJ-LZWOXQAQSA-N 1 0 282.428 2.169 10 0 CEAERO CCOC(=O)[C@](C)(C[N@H+](C)CC(C)(C)C)NC1CC1 ZINC000045279354 175349111 /nfs/dbraw/zinc/34/91/11/175349111.db2.gz SAZFSJFVDGQWKG-HNNXBMFYSA-N 1 0 270.417 2.038 10 0 CEAERO CCOC(=O)[C@@](C)(N)CC[N@H+](C)[C@@H](C)CC(C)C ZINC000045280003 175350303 /nfs/dbraw/zinc/35/03/03/175350303.db2.gz BCJPWOMTOCAQOI-JSGCOSHPSA-N 1 0 258.406 2.023 10 0 CEAERO C[N@H+](CC[C@@](C)([NH2+]C1CC1)C(=O)[O-])CC1CCCCC1 ZINC000045281620 175352588 /nfs/dbraw/zinc/35/25/88/175352588.db2.gz IQJVDMVFMZASPM-MRXNPFEDSA-N 1 0 282.428 2.484 10 0 CEAERO CN[C@](C)(CC[N@H+](C)CC1CCCCC1)C(=O)OC ZINC000045281639 175352881 /nfs/dbraw/zinc/35/28/81/175352881.db2.gz VGTXDFJWUXILHA-OAHLLOKOSA-N 1 0 270.417 2.040 10 0 CEAERO CCCC[N@H+](C[C@](C)(NC(C)C)C(N)=O)[C@@H](C)CC ZINC000045282574 175352990 /nfs/dbraw/zinc/35/29/90/175352990.db2.gz OXNSBCVBWJIHHI-ZFWWWQNUSA-N 1 0 271.449 2.129 10 0 CEAERO CCCC[N@H+](C)CCCC[C@@](C)([NH2+]CC)C(=O)[O-] ZINC000045368172 175363025 /nfs/dbraw/zinc/36/30/25/175363025.db2.gz RETJWRSVAJVRSD-CQSZACIVSA-N 1 0 258.406 2.341 10 0 CEAERO CCCC[N@H+](C)CCC[C@](C)(NCC)C(=O)OC ZINC000045368362 175363154 /nfs/dbraw/zinc/36/31/54/175363154.db2.gz HMUWBWMCPQDANB-AWEZNQCLSA-N 1 0 258.406 2.040 10 0 CEAERO CCN[C@@](C)(CCC[N@H+]1C[C@H](C)C[C@H](C)C1)C(=O)OC ZINC000045373563 175364744 /nfs/dbraw/zinc/36/47/44/175364744.db2.gz BIWITBMUYNDGOX-LZWOXQAQSA-N 1 0 284.444 2.286 10 0 CEAERO CN[C@@](C)(CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)C(=O)OC ZINC000045373316 175365074 /nfs/dbraw/zinc/36/50/74/175365074.db2.gz UYNCAPTZYBQCLD-FMKPAKJESA-N 1 0 284.444 2.286 10 0 CEAERO CC[NH+](CC)CCC[C@@](C)(NC(C)C)C(=O)OC ZINC000045375942 175366232 /nfs/dbraw/zinc/36/62/32/175366232.db2.gz JQTVXKOSLAJPGN-CQSZACIVSA-N 1 0 258.406 2.038 10 0 CEAERO CCCN[C@@](C)(CCC[NH+]1CCCC1)C(=O)OCC ZINC000045375392 175366470 /nfs/dbraw/zinc/36/64/70/175366470.db2.gz VQBWFDPEAXUMGW-HNNXBMFYSA-N 1 0 270.417 2.184 10 0 CEAERO C[C@@](CCC[NH+]1CCCCCC1)([NH2+]C1CC1)C(=O)[O-] ZINC000045377504 175367175 /nfs/dbraw/zinc/36/71/75/175367175.db2.gz VFFMSFFZOBAHSW-HNNXBMFYSA-N 1 0 268.401 2.238 10 0 CEAERO C[NH2+][C@@](C)(CCC[NH+]1[C@@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000045379643 175368974 /nfs/dbraw/zinc/36/89/74/175368974.db2.gz AIZBVRPTGTZREZ-OBJOEFQTSA-N 1 0 256.390 2.092 10 0 CEAERO CCOC(=O)[C@](C)(CCC[N@H+](CC)CC(C)C)NC ZINC000045381808 175369852 /nfs/dbraw/zinc/36/98/52/175369852.db2.gz FHIIFPBDCXIUMC-HNNXBMFYSA-N 1 0 272.433 2.286 10 0 CEAERO CCC[N@H+](C)CCCC[C@@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000045382122 175370062 /nfs/dbraw/zinc/37/00/62/175370062.db2.gz XNKFETZOYFIWCI-CQSZACIVSA-N 1 0 256.390 2.094 10 0 CEAERO CCC[N@H+](C)CCC[C@](C)(NC(C)C)C(=O)OC ZINC000045382390 175371229 /nfs/dbraw/zinc/37/12/29/175371229.db2.gz YDBVKASDNKNDHE-AWEZNQCLSA-N 1 0 258.406 2.038 10 0 CEAERO CCCN[C@H](C[N@H+](CC)C1CCCC1)C(=O)OCC ZINC000045390348 175375028 /nfs/dbraw/zinc/37/50/28/175375028.db2.gz BTHNYECNMLVRAW-CQSZACIVSA-N 1 0 270.417 2.182 10 0 CEAERO CCCN[C@H](C[N@H+](C)C1CCCCCC1)C(=O)OC ZINC000045419087 175377430 /nfs/dbraw/zinc/37/74/30/175377430.db2.gz MEFDZHFCHBCXFM-CQSZACIVSA-N 1 0 270.417 2.182 10 0 CEAERO COC(=O)[C@@](C)(CCCC[N@H+](C)CC1CC1)NC(C)C ZINC000045419928 175378091 /nfs/dbraw/zinc/37/80/91/175378091.db2.gz TWIRZYOAKINZFF-MRXNPFEDSA-N 1 0 284.444 2.428 10 0 CEAERO Cc1cc([C@H](C)[NH2+]C[C@H]2CC(=O)N(C)C2)c(C)o1 ZINC000658241265 415273360 /nfs/dbraw/zinc/27/33/60/415273360.db2.gz CQYVULXBQPRABT-CMPLNLGQSA-N 1 0 250.342 2.025 10 0 CEAERO C[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000658245331 415281530 /nfs/dbraw/zinc/28/15/30/415281530.db2.gz RJOVNAOWEYAJRC-DZGCQCFKSA-N 1 0 260.381 2.076 10 0 CEAERO O=C([C@@H]1C[C@H]2C[C@H]2C1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000658941662 415367748 /nfs/dbraw/zinc/36/77/48/415367748.db2.gz LOOWDRLTAUVDIA-LJIZCISZSA-N 1 0 276.424 2.413 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCCC2(CC2)C1 ZINC000659294297 415494339 /nfs/dbraw/zinc/49/43/39/415494339.db2.gz ZAUGOFRZCMJDOH-FRRDWIJNSA-N 1 0 250.386 2.200 10 0 CEAERO CC[C@@H]1C[C@]([NH2+]C2CCCCCC2)(C(N)=O)CCO1 ZINC000070367863 175897913 /nfs/dbraw/zinc/89/79/13/175897913.db2.gz SFCYUYIMWSNKQL-HIFRSBDPSA-N 1 0 268.401 2.112 10 0 CEAERO CC[NH2+]Cc1ccc(OC)cc1O[C@@H](C)COC ZINC000070375562 175899672 /nfs/dbraw/zinc/89/96/72/175899672.db2.gz SKLHXKHCSDBJEU-NSHDSACASA-N 1 0 253.342 2.218 10 0 CEAERO [NH3+][C@H](c1ccc2[nH]c(=O)oc2c1)[C@@H]1COc2ccccc21 ZINC000070390122 175906636 /nfs/dbraw/zinc/90/66/36/175906636.db2.gz XEPQKTAKSAXSDN-IAQYHMDHSA-N 1 0 282.299 2.297 10 0 CEAERO [NH3+]C1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)CC1 ZINC000070460096 175942305 /nfs/dbraw/zinc/94/23/05/175942305.db2.gz MCXCBBYOOIWYBY-UHFFFAOYSA-N 1 0 260.316 2.143 10 0 CEAERO CCC[NH2+]Cc1ccc(OC)c(OCCOCCOC)c1 ZINC000070480329 175952284 /nfs/dbraw/zinc/95/22/84/175952284.db2.gz CNCACBKDXQNWMN-UHFFFAOYSA-N 1 0 297.395 2.237 10 0 CEAERO C[NH2+]C[C@@H](CCOCCOC)Cc1cccc(OC)c1 ZINC000070483167 175953557 /nfs/dbraw/zinc/95/35/57/175953557.db2.gz CIELGNNMCTYUQD-HNNXBMFYSA-N 1 0 281.396 2.126 10 0 CEAERO [NH3+][C@H]1CCC[C@H](C(=O)Nc2ccc(-c3nnco3)cc2)C1 ZINC000070577485 175992930 /nfs/dbraw/zinc/99/29/30/175992930.db2.gz TZTNVMHHKPVNLG-RYUDHWBXSA-N 1 0 286.335 2.193 10 0 CEAERO [NH3+]Cc1ccn(Cc2ccc(Br)cc2)n1 ZINC000070708166 176002677 /nfs/dbraw/zinc/00/26/77/176002677.db2.gz DUQUFYVBMALBCQ-UHFFFAOYSA-N 1 0 266.142 2.153 10 0 CEAERO C[C@@H]([NH3+])c1csc(N(C)Cc2cscn2)n1 ZINC000070845816 176008882 /nfs/dbraw/zinc/00/88/82/176008882.db2.gz CHGAXYXARGYLSE-SSDOTTSWSA-N 1 0 254.384 2.256 10 0 CEAERO C[NH2+][C@@H](C)c1csc(N(C)[C@@H]2CCSC2)n1 ZINC000070845276 176008941 /nfs/dbraw/zinc/00/89/41/176008941.db2.gz SSMKDYVHWVTEPF-DTWKUNHWSA-N 1 0 257.428 2.365 10 0 CEAERO COc1cc(C(=O)N(CC[NH3+])C2CCCC2)ccc1C ZINC000070943703 176016814 /nfs/dbraw/zinc/01/68/14/176016814.db2.gz PSZLGCBYCPMFOW-UHFFFAOYSA-N 1 0 276.380 2.347 10 0 CEAERO COc1ccc([C@@H]2[C@@H]([NH3+])CCC(=O)N2C2CC2)cc1C ZINC000070987198 176018791 /nfs/dbraw/zinc/01/87/91/176018791.db2.gz GGNUNVJEUGHNOF-XJKSGUPXSA-N 1 0 274.364 2.157 10 0 CEAERO CC[N@H+](CCC(=O)OC)C[C@@H]1OCCc2ccccc21 ZINC000071030870 176021913 /nfs/dbraw/zinc/02/19/13/176021913.db2.gz QAFZLOUYLBCSRG-HNNXBMFYSA-N 1 0 277.364 2.185 10 0 CEAERO CC(C)[NH2+][C@@H]1CCCN(Cc2ccsc2)C1=O ZINC000071031391 176022662 /nfs/dbraw/zinc/02/26/62/176022662.db2.gz RKFADBCKQLPKQW-GFCCVEGCSA-N 1 0 252.383 2.237 10 0 CEAERO CCC[NH2+][C@H]1CCCN([C@@H](C)Cc2ccco2)C1=O ZINC000071032170 176022810 /nfs/dbraw/zinc/02/28/10/176022810.db2.gz JWEJAMAUFXIDGW-JSGCOSHPSA-N 1 0 264.369 2.201 10 0 CEAERO C[C@@H](c1ccccc1)N1CCC[C@H]([NH2+]C2CC2)C1=O ZINC000071032696 176023683 /nfs/dbraw/zinc/02/36/83/176023683.db2.gz HZSJSORIBVDVBE-WFASDCNBSA-N 1 0 258.365 2.491 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCN1c1ccc(F)cc1Cl ZINC000071032506 176023765 /nfs/dbraw/zinc/02/37/65/176023765.db2.gz OXOKFEQERSAYCJ-NSHDSACASA-N 1 0 268.719 2.336 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCN1c1ccccc1Cl ZINC000071033247 176023784 /nfs/dbraw/zinc/02/37/84/176023784.db2.gz UDWPOXWXBDSXSC-LLVKDONJSA-N 1 0 250.729 2.197 10 0 CEAERO CC(C)[NH2+][C@@H]1CCCN(CCc2cccs2)C1=O ZINC000071033448 176023793 /nfs/dbraw/zinc/02/37/93/176023793.db2.gz VALJRLNJJSMGFE-CYBMUJFWSA-N 1 0 266.410 2.280 10 0 CEAERO C[NH2+][C@H]1CCCN([C@@H](C)c2cccc(F)c2)C1=O ZINC000071034928 176025034 /nfs/dbraw/zinc/02/50/34/176025034.db2.gz FVXITIWCIKPHDJ-GWCFXTLKSA-N 1 0 250.317 2.097 10 0 CEAERO CC(C)CCOCCN1CCC[C@@H]([NH2+]C(C)C)C1=O ZINC000071036720 176026073 /nfs/dbraw/zinc/02/60/73/176026073.db2.gz IFYDQHDSUDMGPV-CQSZACIVSA-N 1 0 270.417 2.038 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCN1c1ccc2c(c1)CCC2 ZINC000071037842 176026666 /nfs/dbraw/zinc/02/66/66/176026666.db2.gz FISVMTQZWGVVCI-OAHLLOKOSA-N 1 0 256.349 2.033 10 0 CEAERO CC[NH2+][C@@H]1CCN(c2ccc(Cl)cc2C)C1=O ZINC000071038581 176026991 /nfs/dbraw/zinc/02/69/91/176026991.db2.gz UDXWGIKWUNFIQJ-LLVKDONJSA-N 1 0 252.745 2.363 10 0 CEAERO CCC[NH2+][C@@H]1CCN(Cc2cccc(OCC)c2)C1=O ZINC000071041334 176027958 /nfs/dbraw/zinc/02/79/58/176027958.db2.gz ZZNMDOAULJBGKX-OAHLLOKOSA-N 1 0 276.380 2.186 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCN1CCC1CCCCC1 ZINC000071041404 176027985 /nfs/dbraw/zinc/02/79/85/176027985.db2.gz SJUMSLMXNLIIGM-AWEZNQCLSA-N 1 0 250.386 2.310 10 0 CEAERO COc1cccc(CN2CCC[C@H]([NH2+]C(C)C)C2=O)c1 ZINC000071041245 176028156 /nfs/dbraw/zinc/02/81/56/176028156.db2.gz JFIPMPPAZJLFOR-HNNXBMFYSA-N 1 0 276.380 2.184 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN(Cc2ccc(F)cc2F)C1=O ZINC000071042035 176028427 /nfs/dbraw/zinc/02/84/27/176028427.db2.gz UMAHNJYPRAKPOB-CYBMUJFWSA-N 1 0 268.307 2.064 10 0 CEAERO C[C@H](C1CCCCC1)N1CC[C@H]([NH2+]C2CC2)C1=O ZINC000071043100 176028976 /nfs/dbraw/zinc/02/89/76/176028976.db2.gz UCPVKZRFVKGTRQ-RISCZKNCSA-N 1 0 250.386 2.308 10 0 CEAERO OC[C@H]1CCC[N@H+](C[C@@H]2OCCc3ccccc32)C1 ZINC000071098212 176032405 /nfs/dbraw/zinc/03/24/05/176032405.db2.gz GZVVQOMJHYUYSV-BBRMVZONSA-N 1 0 261.365 2.005 10 0 CEAERO CC[C@H]([NH3+])Cc1cnn(C[C@H]2OCCc3ccccc32)c1 ZINC000071099189 176033183 /nfs/dbraw/zinc/03/31/83/176033183.db2.gz RBHVMVCITUYREQ-DOTOQJQBSA-N 1 0 285.391 2.477 10 0 CEAERO CC[C@H]([NH3+])Cc1nccn1C[C@H]1OCCc2ccccc21 ZINC000071099246 176033217 /nfs/dbraw/zinc/03/32/17/176033217.db2.gz NZCCPYRFEIPDRD-GOEBONIOSA-N 1 0 285.391 2.477 10 0 CEAERO CC[C@H]1CCC[C@](CN)([N@H+](C)C2CCOCC2)C1 ZINC000071123462 176034825 /nfs/dbraw/zinc/03/48/25/176034825.db2.gz KQESDUJWPBDAPT-ZFWWWQNUSA-N 1 0 254.418 2.395 10 0 CEAERO CC[C@@H]1CCC[C@@H](OCCC(=O)N(C)CCC[NH3+])C1 ZINC000071130856 176035997 /nfs/dbraw/zinc/03/59/97/176035997.db2.gz ZTVJKXRDYMOIDE-ZIAGYGMSSA-N 1 0 270.417 2.169 10 0 CEAERO CC[C@H](C)[C@H]([NH2+]C)c1ccc2c(c1)C(=O)N(C)C(=O)C2 ZINC000071139482 176038088 /nfs/dbraw/zinc/03/80/88/176038088.db2.gz YHJSDLFSYKQEFC-BONVTDFDSA-N 1 0 274.364 2.148 10 0 CEAERO C[C@@H]1CCC[C@H]([N@H+](CC(N)=O)Cc2cccc(N)c2)C1 ZINC000071150521 176045054 /nfs/dbraw/zinc/04/50/54/176045054.db2.gz LNCJUSDLAQFNAT-DOMZBBRYSA-N 1 0 275.396 2.135 10 0 CEAERO C[C@@H]1CCC[C@H]([N@H+](CC(N)=O)Cc2ccccc2N)C1 ZINC000071150537 176045259 /nfs/dbraw/zinc/04/52/59/176045259.db2.gz QOBFFVVYLAJBFX-OCCSQVGLSA-N 1 0 275.396 2.135 10 0 CEAERO CC[C@@H]1CCCC[C@@]1(C[NH3+])N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071162239 176046567 /nfs/dbraw/zinc/04/65/67/176046567.db2.gz RTFZFIGXCBZJJC-OAGGEKHMSA-N 1 0 267.461 2.168 10 0 CEAERO COc1cncc(N(CCC[NH3+])c2ccccc2C)n1 ZINC000071175739 176054493 /nfs/dbraw/zinc/05/44/93/176054493.db2.gz VSKJTRAFOKUOQJ-UHFFFAOYSA-N 1 0 272.352 2.281 10 0 CEAERO CCCOc1cncc(N[C@@H]2CCCCC[C@@H]2[NH3+])n1 ZINC000071176206 176054945 /nfs/dbraw/zinc/05/49/45/176054945.db2.gz ZVFOOOMABSBQFR-NWDGAFQWSA-N 1 0 264.373 2.337 10 0 CEAERO CCOc1cncc(NC2(C[NH3+])CCC(C)CC2)n1 ZINC000071177494 176055342 /nfs/dbraw/zinc/05/53/42/176055342.db2.gz WAXRJKZEZDQBLP-UHFFFAOYSA-N 1 0 264.373 2.195 10 0 CEAERO CC(C)Oc1cncc(N(C)CC[NH2+]C(C)(C)C)n1 ZINC000071176802 176055371 /nfs/dbraw/zinc/05/53/71/176055371.db2.gz KRHTZJACYOETJF-UHFFFAOYSA-N 1 0 266.389 2.088 10 0 CEAERO CCC[NH2+]Cc1cc(C)c(O[C@@H]2CCN(C)C2=O)c(C)c1 ZINC000071182792 176057987 /nfs/dbraw/zinc/05/79/87/176057987.db2.gz BJSLDWAGLSJIRN-OAHLLOKOSA-N 1 0 290.407 2.413 10 0 CEAERO CC(C)[NH2+]Cc1cc(Cl)ccc1O[C@H]1CCN(C)C1=O ZINC000071182839 176058189 /nfs/dbraw/zinc/05/81/89/176058189.db2.gz IXBSAVHPCNWLJP-AWEZNQCLSA-N 1 0 296.798 2.448 10 0 CEAERO CC[C@H]([NH3+])Cc1cc(Cl)ccc1O[C@H]1CCN(C)C1=O ZINC000071184773 176059315 /nfs/dbraw/zinc/05/93/15/176059315.db2.gz XHBJXMXXOURNAL-JSGCOSHPSA-N 1 0 296.798 2.229 10 0 CEAERO CN(C[C@H]1CC[N@H+](C)C1)c1ccc(N)c2ncccc12 ZINC000071188510 176063038 /nfs/dbraw/zinc/06/30/38/176063038.db2.gz UQXWOBUMNQQKLR-LBPRGKRZSA-N 1 0 270.380 2.205 10 0 CEAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cc2ccccc2[nH]1 ZINC000071192952 176074655 /nfs/dbraw/zinc/07/46/55/176074655.db2.gz GWACQEBTHDMUTB-GFCCVEGCSA-N 1 0 271.364 2.192 10 0 CEAERO CCC[NH2+][C@H]1CCCN(C[C@@H]2Cc3ccccc3O2)C1 ZINC000071199361 176077111 /nfs/dbraw/zinc/07/71/11/176077111.db2.gz OGQLXUACDDKHJK-HOTGVXAUSA-N 1 0 274.408 2.454 10 0 CEAERO CC(C)[NH2+][C@@H]1CCCN(CCOC2CCCC2)C1 ZINC000071199905 176077162 /nfs/dbraw/zinc/07/71/62/176077162.db2.gz LUJUVDLJGKVCTL-CQSZACIVSA-N 1 0 254.418 2.408 10 0 CEAERO Cc1nc(CN2CCC[C@@H]([NH2+]C3CC3)C2)cs1 ZINC000071200777 176077748 /nfs/dbraw/zinc/07/77/48/176077748.db2.gz CGMDOBOENQZYEH-GFCCVEGCSA-N 1 0 251.399 2.168 10 0 CEAERO Cc1cccc(OCCN2CC[C@@H]([NH2+]C3CC3)C2)c1 ZINC000071200350 176077833 /nfs/dbraw/zinc/07/78/33/176077833.db2.gz ZASMIZAHHXVPKH-OAHLLOKOSA-N 1 0 260.381 2.200 10 0 CEAERO C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1F ZINC000071207297 176080779 /nfs/dbraw/zinc/08/07/79/176080779.db2.gz YFUSXMJCEMMTCM-ZANVPECISA-N 1 0 250.317 2.203 10 0 CEAERO O=c1ccc(C(F)(F)F)cn1CCC[C@@H]1CCC[NH2+]1 ZINC000071212034 176083712 /nfs/dbraw/zinc/08/37/12/176083712.db2.gz UEWKOLPMFJXAMV-NSHDSACASA-N 1 0 274.286 2.399 10 0 CEAERO COCCN(CCC(N)=[NH2+])c1nc2ccccc2cc1C ZINC000071229255 176091366 /nfs/dbraw/zinc/09/13/66/176091366.db2.gz QUXQFLXJVCRCFN-UHFFFAOYSA-N 1 0 286.379 2.322 10 0 CEAERO CCC[C@H](CC)NS(=O)(=O)c1ccc(F)c(C[NH3+])c1 ZINC000071244437 176094713 /nfs/dbraw/zinc/09/47/13/176094713.db2.gz XBVMQZXAAZDUOA-NSHDSACASA-N 1 0 288.388 2.141 10 0 CEAERO CCCCOCCOCc1ccc(F)cc1C(N)=[NH2+] ZINC000071268251 176101657 /nfs/dbraw/zinc/10/16/57/176101657.db2.gz JEPZMEZGMACJHN-UHFFFAOYSA-N 1 0 268.332 2.443 10 0 CEAERO [NH2+]=C1c2cc(F)ccc2CN1CCCn1ccnc1 ZINC000071268698 176102291 /nfs/dbraw/zinc/10/22/91/176102291.db2.gz OVANSXVLAKDBNI-UHFFFAOYSA-N 1 0 258.300 2.253 10 0 CEAERO CCOC(=O)CCCCC[NH2+][C@H](C)CN1CCCC1 ZINC000071293763 176111436 /nfs/dbraw/zinc/11/14/36/176111436.db2.gz JWCPFOAMFJFJQE-CQSZACIVSA-N 1 0 270.417 2.184 10 0 CEAERO CCOC(=O)CCCCC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000071293498 176111504 /nfs/dbraw/zinc/11/15/04/176111504.db2.gz QNCYQNQVKOHVKM-STQMWFEESA-N 1 0 257.374 2.267 10 0 CEAERO CCOC(=O)CCCCC[NH2+][C@H](CO)CC(C)C ZINC000071293699 176111752 /nfs/dbraw/zinc/11/17/52/176111752.db2.gz XBVRWUCZMMUWQS-ZDUSSCGKSA-N 1 0 259.390 2.107 10 0 CEAERO CCN(C(=O)c1cc2c(s1)CCCC2)[C@H]1CC[NH2+]C1 ZINC000071312510 176119224 /nfs/dbraw/zinc/11/92/24/176119224.db2.gz LLVIEORPSYNZPM-LBPRGKRZSA-N 1 0 278.421 2.451 10 0 CEAERO CCCN(Cc1occc1C(=O)OCC)[C@@H]1CC[NH2+]C1 ZINC000071331662 176125089 /nfs/dbraw/zinc/12/50/89/176125089.db2.gz TZTPXPBHWQJGLB-GFCCVEGCSA-N 1 0 280.368 2.030 10 0 CEAERO CCCN(c1ncnc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000071332518 176125767 /nfs/dbraw/zinc/12/57/67/176125767.db2.gz IVSLLWNBRRHUTD-GFCCVEGCSA-N 1 0 256.353 2.208 10 0 CEAERO CC(C)(C)OC(=O)N1CC([NH2+]CCc2ccccc2)C1 ZINC000071335180 176127009 /nfs/dbraw/zinc/12/70/09/176127009.db2.gz BKQLKNJEJGVPBW-UHFFFAOYSA-N 1 0 276.380 2.438 10 0 CEAERO Cc1cccc(C(=O)NC[C@@H]2[NH2+]CCC[C@@H]2C)c1C ZINC000071338499 176128603 /nfs/dbraw/zinc/12/86/03/176128603.db2.gz PEQXSGHPAOFLPK-WFASDCNBSA-N 1 0 260.381 2.421 10 0 CEAERO Cc1cc(C)cc(C(=O)NC[C@H]2[NH2+]CCC[C@@H]2C)c1 ZINC000071338518 176128676 /nfs/dbraw/zinc/12/86/76/176128676.db2.gz KPPGSENZXHNRIH-DZGCQCFKSA-N 1 0 260.381 2.421 10 0 CEAERO Cc1ccc(CCC(=O)NC[C@@H]2[NH2+]CCC[C@@H]2C)cc1 ZINC000071338819 176128921 /nfs/dbraw/zinc/12/89/21/176128921.db2.gz MXBURYSFUFFBES-HOCLYGCPSA-N 1 0 274.408 2.432 10 0 CEAERO CCc1ccc(C(=O)NC[C@H]2[NH2+]CCC[C@@H]2C)cc1 ZINC000071338686 176129034 /nfs/dbraw/zinc/12/90/34/176129034.db2.gz RWZZJEYNLGGNJM-SWLSCSKDSA-N 1 0 260.381 2.367 10 0 CEAERO Cc1ccccc1CCC(=O)NC[C@@H]1[NH2+]CCC[C@H]1C ZINC000071338781 176129136 /nfs/dbraw/zinc/12/91/36/176129136.db2.gz QCJJTRPRMREEHL-ZBFHGGJFSA-N 1 0 274.408 2.432 10 0 CEAERO Cc1cccnc1C[NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000071339583 176129802 /nfs/dbraw/zinc/12/98/02/176129802.db2.gz OKQBJHYOFRVZAG-LLVKDONJSA-N 1 0 282.347 2.410 10 0 CEAERO CC(C)[C@H]1CNC(C)(C)C[N@@H+]1CC1CCOCC1 ZINC000071342481 176130370 /nfs/dbraw/zinc/13/03/70/176130370.db2.gz PFJZQOZPDGDIKS-CQSZACIVSA-N 1 0 254.418 2.121 10 0 CEAERO C[C@@H]1CN[C@@H](C(C)(C)C)C[N@@H+]1CC1CCOCC1 ZINC000071345957 176131811 /nfs/dbraw/zinc/13/18/11/176131811.db2.gz KYRXZFBVTUUVNV-TZMCWYRMSA-N 1 0 254.418 2.121 10 0 CEAERO CCC[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1CCOCCOC ZINC000071346734 176131852 /nfs/dbraw/zinc/13/18/52/176131852.db2.gz AVVMEMOQRIUJFE-CABCVRRESA-N 1 0 286.460 2.138 10 0 CEAERO CC[C@H]1CN[C@H](C(C)(C)C)C[N@@H+]1CCCn1ccnc1 ZINC000071346194 176132193 /nfs/dbraw/zinc/13/21/93/176132193.db2.gz MNYPGDFMXHSCMU-GJZGRUSLSA-N 1 0 278.444 2.372 10 0 CEAERO CC(C)C[C@@H]1C[N@H+](CC2CCOCC2)[C@@H](C)CN1 ZINC000071349687 176133302 /nfs/dbraw/zinc/13/33/02/176133302.db2.gz YWPDBOOBDASSGH-DZGCQCFKSA-N 1 0 254.418 2.121 10 0 CEAERO CC(C)C[C@H]1CN(Cc2ncccn2)[C@H](C(C)C)C[NH2+]1 ZINC000071350540 176133440 /nfs/dbraw/zinc/13/34/40/176133440.db2.gz HGVCEGWIVZBTEP-GJZGRUSLSA-N 1 0 276.428 2.321 10 0 CEAERO CC(C)C[NH+](CCCn1ccc(N)n1)CC(C)C ZINC000071352089 176134796 /nfs/dbraw/zinc/13/47/96/176134796.db2.gz JHDQLZAYKAMOQV-UHFFFAOYSA-N 1 0 252.406 2.469 10 0 CEAERO CC[C@]1(C)C[NH2+][C@H](CC(C)C)CN1Cc1ncccn1 ZINC000071351739 176135024 /nfs/dbraw/zinc/13/50/24/176135024.db2.gz GLQIRQXSLVEJLO-GDBMZVCRSA-N 1 0 276.428 2.465 10 0 CEAERO CCC1(C)CC[NH+](CCCn2ccc(N)n2)CC1 ZINC000071352537 176135414 /nfs/dbraw/zinc/13/54/14/176135414.db2.gz WSOMTXHQUNLBID-UHFFFAOYSA-N 1 0 250.390 2.368 10 0 CEAERO CC[C@H](C)[C@H]1CN(CCn2cccn2)[C@H](C(C)C)C[NH2+]1 ZINC000071354832 176136719 /nfs/dbraw/zinc/13/67/19/176136719.db2.gz VYMSJKOTCHWNBF-XHSDSOJGSA-N 1 0 278.444 2.228 10 0 CEAERO CC[C@]1(C)CN(C[C@@H]2CCCCO2)C(C)(C)C[NH2+]1 ZINC000071357600 176137273 /nfs/dbraw/zinc/13/72/73/176137273.db2.gz TVXFLBSYSKZUSS-DZGCQCFKSA-N 1 0 254.418 2.408 10 0 CEAERO CC[C@]1(C)C[N@H+](CCCn2ccnc2)[C@H](C2CC2)CN1 ZINC000071357288 176137898 /nfs/dbraw/zinc/13/78/98/176137898.db2.gz WLCAGJCOVDUVIB-JKSUJKDBSA-N 1 0 276.428 2.126 10 0 CEAERO CC[C@]1(C)CN(Cc2cnn(C)c2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000071358138 176138085 /nfs/dbraw/zinc/13/80/85/176138085.db2.gz RLTCTRUHHRILRO-HZPDHXFCSA-N 1 0 276.428 2.163 10 0 CEAERO CC[C@H]1CNC2(CCCC2)C[N@@H+]1CCCn1ccnc1 ZINC000071358275 176138111 /nfs/dbraw/zinc/13/81/11/176138111.db2.gz AJYJQXXJUDKLDA-HNNXBMFYSA-N 1 0 276.428 2.270 10 0 CEAERO CC(C)n1c(C[NH3+])nnc1SCc1ccncc1 ZINC000071374207 176139987 /nfs/dbraw/zinc/13/99/87/176139987.db2.gz WBDTXWTZGWPHLI-UHFFFAOYSA-N 1 0 263.370 2.005 10 0 CEAERO CCCn1cc(N)cc1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000071376478 176141311 /nfs/dbraw/zinc/14/13/11/176141311.db2.gz FVGQBBQIWSVZCE-UHFFFAOYSA-N 1 0 292.427 2.085 10 0 CEAERO CCC[C@@H](C)NC(=O)[C@H](C)NCC[N@H+](C)C1CCCC1 ZINC000071377368 176142167 /nfs/dbraw/zinc/14/21/67/176142167.db2.gz DJBWXXDZZQTXPM-KGLIPLIRSA-N 1 0 283.460 2.144 10 0 CEAERO CCOc1nc(NCC[N@H+](C)C2CCCC2)ccc1N ZINC000071376994 176142324 /nfs/dbraw/zinc/14/23/24/176142324.db2.gz RGUMGHRZRWCCHJ-UHFFFAOYSA-N 1 0 278.400 2.349 10 0 CEAERO CNc1ccc(C(=O)NCC[N@H+](C)C2CCCC2)cc1 ZINC000071380033 176144336 /nfs/dbraw/zinc/14/43/36/176144336.db2.gz RRQWMBPRCBTAAG-UHFFFAOYSA-N 1 0 275.396 2.333 10 0 CEAERO Cc1ccc(N)c(C(=O)NC[C@H](C)C[NH+]2CCCCC2)c1 ZINC000071383262 176146709 /nfs/dbraw/zinc/14/67/09/176146709.db2.gz PISRPSVGJMHIBC-AWEZNQCLSA-N 1 0 289.423 2.429 10 0 CEAERO Cc1ccc(N)c(CN2CC[NH+](CC3CC3)CC2)c1 ZINC000071383804 176147081 /nfs/dbraw/zinc/14/70/81/176147081.db2.gz UHXCZPHIDYIHTD-UHFFFAOYSA-N 1 0 259.397 2.105 10 0 CEAERO Cc1ccc(N)c(CN2CC[NH+](C(C)(C)C)CC2)c1 ZINC000071383770 176147195 /nfs/dbraw/zinc/14/71/95/176147195.db2.gz IPONIPFEZSYBKB-UHFFFAOYSA-N 1 0 261.413 2.493 10 0 CEAERO NC(=[NH2+])c1cc2ccccc2nc1N1CCCSCC1 ZINC000071390120 176148429 /nfs/dbraw/zinc/14/84/29/176148429.db2.gz MMPCBWYNBOJDLI-UHFFFAOYSA-N 1 0 286.404 2.462 10 0 CEAERO CC[NH2+]Cc1ccc(OCC(=O)OC)c(C(F)(F)F)c1 ZINC000071398641 176151812 /nfs/dbraw/zinc/15/18/12/176151812.db2.gz JUFFXCREJMUBNL-UHFFFAOYSA-N 1 0 291.269 2.367 10 0 CEAERO CC(C)OC(=O)COc1ccc(C[NH3+])cc1C(F)(F)F ZINC000071398261 176151847 /nfs/dbraw/zinc/15/18/47/176151847.db2.gz ZCFIIQLLNZDHGR-UHFFFAOYSA-N 1 0 291.269 2.495 10 0 CEAERO Cc1ccc(CNC(=O)CC[C@H]([NH3+])c2ccccc2)n1C ZINC000071400589 176152746 /nfs/dbraw/zinc/15/27/46/176152746.db2.gz VLIRDUPSPNNJLC-INIZCTEOSA-N 1 0 285.391 2.430 10 0 CEAERO [NH3+][C@@H](CCC(=O)NCC[C@H]1CCCO1)c1ccccc1 ZINC000071400892 176153019 /nfs/dbraw/zinc/15/30/19/176153019.db2.gz ZPVBTAKAAWDCIQ-CABCVRRESA-N 1 0 276.380 2.152 10 0 CEAERO CN(C[C@H]1CCCO1)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000071401140 176153411 /nfs/dbraw/zinc/15/34/11/176153411.db2.gz AEPWLZDKQQCWNJ-HUUCEWRRSA-N 1 0 276.380 2.104 10 0 CEAERO C[NH2+]Cc1cc(C)ccc1O[C@@H](C)C(=O)NC(C)(C)C ZINC000071403651 176155048 /nfs/dbraw/zinc/15/50/48/176155048.db2.gz IXJQYJBVXCMFFT-LBPRGKRZSA-N 1 0 278.396 2.396 10 0 CEAERO CCCNC(=O)COc1ccc(C)cc1C[NH2+]CC ZINC000071406121 176155843 /nfs/dbraw/zinc/15/58/43/176155843.db2.gz POUAZBAOASDKFT-UHFFFAOYSA-N 1 0 264.369 2.010 10 0 CEAERO Cc1ccc(O[C@H](C)C(N)=O)c(C[NH2+]C(C)(C)C)c1 ZINC000071407171 176156391 /nfs/dbraw/zinc/15/63/91/176156391.db2.gz XHEYGGVGUIKUEF-LLVKDONJSA-N 1 0 264.369 2.136 10 0 CEAERO Cc1ccc(OCC(=O)OC(C)C)c(C[C@H](C)[NH3+])c1 ZINC000071411830 176157653 /nfs/dbraw/zinc/15/76/53/176157653.db2.gz NTTUTRHLKSEGQU-LBPRGKRZSA-N 1 0 265.353 2.215 10 0 CEAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000071413002 176158037 /nfs/dbraw/zinc/15/80/37/176158037.db2.gz WAUSXIHYHRUYFV-BVOGVELGSA-N 1 0 291.439 2.252 10 0 CEAERO C[C@H]1CC[NH2+]C[C@H]1N1C(=O)CC2(CCCCCC2)C1=O ZINC000071413280 176158698 /nfs/dbraw/zinc/15/86/98/176158698.db2.gz WWCLWNNKCOOCJA-QWHCGFSZSA-N 1 0 278.396 2.084 10 0 CEAERO c1csc([C@@H]2CCCCN2C[C@@H]2CCC3(C[NH2+]C3)O2)n1 ZINC000662260290 415728969 /nfs/dbraw/zinc/72/89/69/415728969.db2.gz KNAAJEJRWCKMPI-STQMWFEESA-N 1 0 293.436 2.191 10 0 CEAERO COc1ccc(C(C)C)cc1C[C@@H]([NH3+])CN(C)C ZINC000071572683 176199023 /nfs/dbraw/zinc/19/90/23/176199023.db2.gz TWYFHRVVDOURMH-CQSZACIVSA-N 1 0 250.386 2.250 10 0 CEAERO CC(C)[C@@H]([NH3+])[C@H](O)c1ccccc1Br ZINC000071583652 176208195 /nfs/dbraw/zinc/20/81/95/176208195.db2.gz OMXIQOUMTLIIMY-GHMZBOCLSA-N 1 0 258.159 2.466 10 0 CEAERO Cc1n[nH]c(C)c1CNC(=O)c1ccc([C@H]2CC[NH2+]C2)cc1 ZINC000072173717 176333605 /nfs/dbraw/zinc/33/36/05/176333605.db2.gz KSRUTZNKDISPDG-HNNXBMFYSA-N 1 0 298.390 2.033 10 0 CEAERO CC(C)OC1CC[NH+](C[C@H]2CCC[C@H](O)C2)CC1 ZINC000659908099 415774801 /nfs/dbraw/zinc/77/48/01/415774801.db2.gz CITACQSOKXDPHI-KBPBESRZSA-N 1 0 255.402 2.427 10 0 CEAERO Cc1cnc(N2CCC([C@@H]3CCC[NH2+]C3)CC2)nc1C ZINC000656607703 415783562 /nfs/dbraw/zinc/78/35/62/415783562.db2.gz FPZDBCWREUCLPA-OAHLLOKOSA-N 1 0 274.412 2.309 10 0 CEAERO Nc1ccc2c(c1)C=[NH+]CCN2C(=O)c1cccs1 ZINC000073642336 176481371 /nfs/dbraw/zinc/48/13/71/176481371.db2.gz KJYLYSYJTDDHQD-UHFFFAOYSA-N 1 0 271.345 2.410 10 0 CEAERO C[C@@H]1CN(C(=O)Oc2ccccc2)CC[C@@H]1[NH+](C)C ZINC000073655194 176483463 /nfs/dbraw/zinc/48/34/63/176483463.db2.gz QZHKKFPAYASMRJ-OCCSQVGLSA-N 1 0 262.353 2.457 10 0 CEAERO CC[C@H]([NH2+]C)C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000662394631 415821683 /nfs/dbraw/zinc/82/16/83/415821683.db2.gz LJZNRABQFHMLTB-KBPBESRZSA-N 1 0 296.798 2.238 10 0 CEAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCC2(CC2)C1 ZINC000662404010 415825955 /nfs/dbraw/zinc/82/59/55/415825955.db2.gz AEYXYMQLVGNJLR-ICIURTGMSA-N 1 0 262.397 2.356 10 0 CEAERO COc1ccc(N[C@@H]2CCC[N@H+](C)C2)c(OC)c1 ZINC000075192257 176672373 /nfs/dbraw/zinc/67/23/73/176672373.db2.gz KZQYXUKYMLWKGL-LLVKDONJSA-N 1 0 250.342 2.210 10 0 CEAERO CC(C)CC[NH2+]CC[C@@H](O)c1ccc2c(c1)CC(=O)N2C ZINC000075253313 176679459 /nfs/dbraw/zinc/67/94/59/176679459.db2.gz XHSMQFMMXYRYBP-MRXNPFEDSA-N 1 0 290.407 2.265 10 0 CEAERO C[C@H]1CCCN(C(=O)CCCC[n+]2ccccc2)C1 ZINC000075304521 176685892 /nfs/dbraw/zinc/68/58/92/176685892.db2.gz XIRZDMNBRXZDFF-HNNXBMFYSA-N 1 0 261.389 2.403 10 0 CEAERO C[NH2+]CCOCCc1ccc(Br)cc1 ZINC000076311759 176981465 /nfs/dbraw/zinc/98/14/65/176981465.db2.gz UPTFKUNZZULWMD-UHFFFAOYSA-N 1 0 258.159 2.228 10 0 CEAERO CCCCc1ccc(CN2C[C@H](C[NH3+])CC2=O)cc1 ZINC000076326448 176989873 /nfs/dbraw/zinc/98/98/73/176989873.db2.gz KIMUTKBRVKHZOQ-HNNXBMFYSA-N 1 0 260.381 2.336 10 0 CEAERO C[NH2+]CCC(=O)N(C)c1ccc(OC(C)(C)C)cc1 ZINC000076369130 177006379 /nfs/dbraw/zinc/00/63/79/177006379.db2.gz VFXKKDASHIBOQG-UHFFFAOYSA-N 1 0 264.369 2.436 10 0 CEAERO COc1cc(C)c([C@H](O)[C@H](C)[NH2+]C2CC2)c(OC)c1 ZINC000076372353 177008333 /nfs/dbraw/zinc/00/83/33/177008333.db2.gz DMVCMWTUAAEOPF-ZUZCIYMTSA-N 1 0 265.353 2.186 10 0 CEAERO C[C@H](CC[NH2+]C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000076377473 177012032 /nfs/dbraw/zinc/01/20/32/177012032.db2.gz DUKLTXAAZNPVFG-LLVKDONJSA-N 1 0 267.394 2.336 10 0 CEAERO [NH3+]CCC[C@H](C(=O)NC1CCCC1)c1ccco1 ZINC000076654739 177044336 /nfs/dbraw/zinc/04/43/36/177044336.db2.gz NSCRQBRCCNTGQI-LBPRGKRZSA-N 1 0 250.342 2.161 10 0 CEAERO [NH3+]C[C@@H](CCC(=O)NC1CCCC1)c1ccco1 ZINC000076654791 177044360 /nfs/dbraw/zinc/04/43/60/177044360.db2.gz ZCJHVYCZUWNCMN-LLVKDONJSA-N 1 0 250.342 2.161 10 0 CEAERO COc1ccccc1NC(=O)[C@H](CC[NH3+])C(C)C ZINC000076654569 177044437 /nfs/dbraw/zinc/04/44/37/177044437.db2.gz VRUZNBBFSCDFGV-LLVKDONJSA-N 1 0 250.342 2.255 10 0 CEAERO [NH3+]C[C@@H](CC(=O)NCc1ccccc1)c1ccco1 ZINC000076665736 177050879 /nfs/dbraw/zinc/05/08/79/177050879.db2.gz HAALYLQIMWJMHY-CYBMUJFWSA-N 1 0 258.321 2.028 10 0 CEAERO Cc1ccc([C@H](C[NH3+])CCC(=O)NC2CC2)c(C)c1 ZINC000076671176 177053757 /nfs/dbraw/zinc/05/37/57/177053757.db2.gz WVXWNUJSFFETSA-ZDUSSCGKSA-N 1 0 260.381 2.405 10 0 CEAERO CC[C@H](C)N(Cc1ccc(OC)c(C)c1)C(=O)C[NH3+] ZINC000076680171 177057806 /nfs/dbraw/zinc/05/78/06/177057806.db2.gz ZBSJTXIYCXSJOG-LBPRGKRZSA-N 1 0 264.369 2.089 10 0 CEAERO CC[C@@H](C)N(Cc1ccc(OC)c(C)c1)C(=O)C[NH3+] ZINC000076680169 177057992 /nfs/dbraw/zinc/05/79/92/177057992.db2.gz ZBSJTXIYCXSJOG-GFCCVEGCSA-N 1 0 264.369 2.089 10 0 CEAERO O[C@@]1(CNC2c3ccccc3-c3ccccc32)CC[NH2+]C1 ZINC000077353736 177255599 /nfs/dbraw/zinc/25/55/99/177255599.db2.gz HEDZJHGUBFZLRU-SFHVURJKSA-N 1 0 280.371 2.070 10 0 CEAERO CCC[N@H+]([C@@H]1CCCNC1)[C@@H]1CCC[C@H](OC)C1 ZINC000078603342 177359051 /nfs/dbraw/zinc/35/90/51/177359051.db2.gz HBESUTUQEXAEKT-KFWWJZLASA-N 1 0 254.418 2.408 10 0 CEAERO C[NH2+]CCCCc1cc(OC)c(OC)cc1OC ZINC000078782608 177387963 /nfs/dbraw/zinc/38/79/63/177387963.db2.gz RUXSSTSPCKRLDI-UHFFFAOYSA-N 1 0 253.342 2.255 10 0 CEAERO O=C(Nc1ccccc1O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000079052725 177422590 /nfs/dbraw/zinc/42/25/90/177422590.db2.gz OOBOWDHUFYTQJA-OAHLLOKOSA-N 1 0 268.316 2.218 10 0 CEAERO COc1ccccc1N(C)C(=O)CC[C@@H](C)CC[NH3+] ZINC000079119755 177437611 /nfs/dbraw/zinc/43/76/11/177437611.db2.gz ZCETUGYKZICNCA-GFCCVEGCSA-N 1 0 264.369 2.423 10 0 CEAERO CC[C@@H](CC[NH3+])CCC(=O)N[C@@H](C)c1cccnc1 ZINC000079207914 177445933 /nfs/dbraw/zinc/44/59/33/177445933.db2.gz WQUODWLUAMFWQT-QWHCGFSZSA-N 1 0 263.385 2.414 10 0 CEAERO CC[C@@H](CC[NH3+])CCC(=O)Nc1ccc(N(C)C)nc1 ZINC000079208778 177446395 /nfs/dbraw/zinc/44/63/95/177446395.db2.gz YCUNOZDCQUTWME-GFCCVEGCSA-N 1 0 278.400 2.241 10 0 CEAERO CC(C)[C@H](CC[NH3+])CCC(=O)NCCOCC(F)(F)F ZINC000079278984 177462598 /nfs/dbraw/zinc/46/25/98/177462598.db2.gz XRRQAWROTIWWCR-NSHDSACASA-N 1 0 298.349 2.083 10 0 CEAERO COC[C@H](C)OC(=O)CC[C@H](CC[NH3+])C(C)(C)C ZINC000079287310 177463987 /nfs/dbraw/zinc/46/39/87/177463987.db2.gz SUQNPFHLBGWWME-NWDGAFQWSA-N 1 0 259.390 2.356 10 0 CEAERO CC[C@@H]1CCC[N@H+](CCC(=O)N(C)CCC(N)=S)CC1 ZINC000079342348 177469860 /nfs/dbraw/zinc/46/98/60/177469860.db2.gz PCPYSMLLGVQGCR-CYBMUJFWSA-N 1 0 299.484 2.023 10 0 CEAERO CC[C@](C[NH3+])(COC)N(C)c1cc(C)cc(C)c1 ZINC000079714670 177542291 /nfs/dbraw/zinc/54/22/91/177542291.db2.gz AWGZASLUKHRDGI-HNNXBMFYSA-N 1 0 250.386 2.494 10 0 CEAERO CCC[C@@H](COC)[NH2+]C[C@@H](O)COc1cc(C)cc(C)c1 ZINC000079744322 177549582 /nfs/dbraw/zinc/54/95/82/177549582.db2.gz JIOQXTMZVVWQEL-JKSUJKDBSA-N 1 0 295.423 2.448 10 0 CEAERO C[C@H]1CCC[C@H](c2nc(C[NH2+]C3CC3)cc(=O)[nH]2)C1 ZINC000079940554 177584973 /nfs/dbraw/zinc/58/49/73/177584973.db2.gz RPIGUQZXBIJHGV-QWRGUYRKSA-N 1 0 261.369 2.316 10 0 CEAERO Cc1c(Cl)cnn1CC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000080019470 177597019 /nfs/dbraw/zinc/59/70/19/177597019.db2.gz KPWLMZIOLBLTRH-SKDRFNHKSA-N 1 0 257.765 2.002 10 0 CEAERO O=C(C[NH2+][C@H]1C[C@H]2CC[C@@H]1C2)N1CCCCCC1 ZINC000080149888 177614831 /nfs/dbraw/zinc/61/48/31/177614831.db2.gz QOTLHCUMWJZSIS-MJBXVCDLSA-N 1 0 250.386 2.167 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCC2(CC2(F)F)CC1 ZINC000405102432 419401584 /nfs/dbraw/zinc/40/15/84/419401584.db2.gz IPEWQFUMAIKJSM-JTQLQIEISA-N 1 0 260.328 2.008 10 0 CEAERO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCC[C@H]2CCCO)C1 ZINC000318597329 419485989 /nfs/dbraw/zinc/48/59/89/419485989.db2.gz VCIHEVAMHROFAU-XHSDSOJGSA-N 1 0 268.445 2.201 10 0 CEAERO CC(C)[C@H]([NH3+])CCN(C)c1ncnc2c1CCCC2 ZINC000133572756 419430480 /nfs/dbraw/zinc/43/04/80/419430480.db2.gz HWXUXBSCSGTJDP-CYBMUJFWSA-N 1 0 262.401 2.165 10 0 CEAERO [NH3+]C1CCC(C(=O)N2CC[C@@H]3CCCC[C@@H]32)CC1 ZINC000135256704 419441163 /nfs/dbraw/zinc/44/11/63/419441163.db2.gz YYOZLNCEYJUHLR-ABXWRUBCSA-N 1 0 250.386 2.295 10 0 CEAERO CNC(=O)c1cc(NC(=O)C[C@@H]([NH3+])C(C)C)ccc1Cl ZINC000136369895 419443000 /nfs/dbraw/zinc/44/30/00/419443000.db2.gz CXUJBTVAEPTNBP-GFCCVEGCSA-N 1 0 297.786 2.012 10 0 CEAERO Cc1ccc(NC(=O)C[C@H]([NH3+])C(C)C)c(C)c1O ZINC000136352979 419443949 /nfs/dbraw/zinc/44/39/49/419443949.db2.gz OVWWGNNWESZVEK-NSHDSACASA-N 1 0 250.342 2.321 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000136365644 419444443 /nfs/dbraw/zinc/44/44/43/419444443.db2.gz YCRBMYAYKYYQMH-ZJUUUORDSA-N 1 0 266.307 2.161 10 0 CEAERO Cc1ccccc1N1CCN(C(=O)C[C@@H]([NH3+])C(C)C)CC1 ZINC000136437284 419446767 /nfs/dbraw/zinc/44/67/67/419446767.db2.gz LFIDSPDDVLGREY-OAHLLOKOSA-N 1 0 289.423 2.017 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)NCCSc1ccccc1 ZINC000136410086 419448325 /nfs/dbraw/zinc/44/83/25/419448325.db2.gz FSVOQJAREQEIBL-CYBMUJFWSA-N 1 0 266.410 2.268 10 0 CEAERO Cc1cccc(OCCN(C)C(=O)C[C@H]([NH3+])C(C)C)c1 ZINC000136396511 419448456 /nfs/dbraw/zinc/44/84/56/419448456.db2.gz UQTNUVZXZRIJGY-HNNXBMFYSA-N 1 0 278.396 2.206 10 0 CEAERO Cc1csc([C@H](C)NC(=O)C[C@H]([NH3+])C(C)C)n1 ZINC000136471429 419448628 /nfs/dbraw/zinc/44/86/28/419448628.db2.gz HLEMRWZUGSAWFD-UWVGGRQHSA-N 1 0 255.387 2.002 10 0 CEAERO CC(=O)Nc1cccc([C@@H](C)NC(=O)C[C@@H]([NH3+])C(C)C)c1 ZINC000136409686 419448756 /nfs/dbraw/zinc/44/87/56/419448756.db2.gz TZQJHLCSPNTDCT-IAQYHMDHSA-N 1 0 291.395 2.196 10 0 CEAERO COC[C@H](C)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000103431836 292990951 /nfs/dbraw/zinc/99/09/51/292990951.db2.gz GLEPAAUERSFFTI-IHRRRGAJSA-N 1 0 284.444 2.142 10 0 CEAERO COCC[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C ZINC000180514293 260104979 /nfs/dbraw/zinc/10/49/79/260104979.db2.gz RPHFGBAGUPXNKI-VXGBXAGGSA-N 1 0 274.405 2.304 10 0 CEAERO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)C[C@H]1CCSC1 ZINC000494936347 262273574 /nfs/dbraw/zinc/27/35/74/262273574.db2.gz ZPANRGPRZKWAHQ-GHMZBOCLSA-N 1 0 259.415 2.402 10 0 CEAERO Clc1nc2ccccc2nc1O[C@@H]1CCC[NH2+]C1 ZINC000040434373 274885311 /nfs/dbraw/zinc/88/53/11/274885311.db2.gz RLTXFTLWWLZYEN-SECBINFHSA-N 1 0 263.728 2.414 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+]Cc2nccs2)C12CCOCC2 ZINC000186263116 270249070 /nfs/dbraw/zinc/24/90/70/270249070.db2.gz ZRIBAPRPYLIAOR-NEPJUHHUSA-N 1 0 282.409 2.207 10 0 CEAERO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000227690627 270311520 /nfs/dbraw/zinc/31/15/20/270311520.db2.gz FSRQPBNICQOHMR-XQHKEYJVSA-N 1 0 298.427 2.303 10 0 CEAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000392906073 270341164 /nfs/dbraw/zinc/34/11/64/270341164.db2.gz RNJPJHHULWDXAS-SKDRFNHKSA-N 1 0 286.297 2.462 10 0 CEAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000392938664 270341696 /nfs/dbraw/zinc/34/16/96/270341696.db2.gz NWLUPWVDJMBHLN-LSPCLFAPSA-N 1 0 262.397 2.068 10 0 CEAERO CC[C@](C)(O)C[N@@H+]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000396483231 270349414 /nfs/dbraw/zinc/34/94/14/270349414.db2.gz MXRJQVLRLUUPLC-WBVHZDCISA-N 1 0 276.424 2.354 10 0 CEAERO CC(C)[C@H](C(=O)N[C@H]1CCOc2ccccc21)[C@H](C)[NH3+] ZINC000399429231 270370065 /nfs/dbraw/zinc/37/00/65/270370065.db2.gz KMIVBCKORRGHGD-WHOFXGATSA-N 1 0 276.380 2.246 10 0 CEAERO Brc1cccc2ccc(N3CC[NH2+]CC3)nc12 ZINC000058020072 273476221 /nfs/dbraw/zinc/47/62/21/273476221.db2.gz BSHYLYRHKLYWCF-UHFFFAOYSA-N 1 0 292.180 2.407 10 0 CEAERO C[C@@H]([NH3+])CC(=O)Nc1nc2cc(F)c(F)cc2s1 ZINC000261923729 274235324 /nfs/dbraw/zinc/23/53/24/274235324.db2.gz XWZWPEYMZIGVAK-RXMQYKEDSA-N 1 0 271.292 2.250 10 0 CEAERO c1ccc(C[NH2+]C[C@@H]2Cc3ccccc3CN2)cc1 ZINC000022867140 275067379 /nfs/dbraw/zinc/06/73/79/275067379.db2.gz SQEFOVHLFDGELY-KRWDZBQOSA-N 1 0 252.361 2.491 10 0 CEAERO C([NH2+][C@H]1CCOC2(CCSCC2)C1)C1CCOCC1 ZINC000094372879 275726977 /nfs/dbraw/zinc/72/69/77/275726977.db2.gz FPHSFPABSKIMFI-AWEZNQCLSA-N 1 0 285.453 2.447 10 0 CEAERO CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@@H]1COc2ccccc21 ZINC000232824429 275815173 /nfs/dbraw/zinc/81/51/73/275815173.db2.gz UIDCPZBPRYWRRQ-TZMCWYRMSA-N 1 0 274.364 2.015 10 0 CEAERO CC[NH+](CC)C[C@@H](C)N[C@H]1CC(=O)N(C)c2ccccc21 ZINC000045693272 276104922 /nfs/dbraw/zinc/10/49/22/276104922.db2.gz VDAMTONGTKQSJI-HIFRSBDPSA-N 1 0 289.423 2.414 10 0 CEAERO CCC[C@H](C(=O)N(C)Cc1ccc(Cl)nc1)[NH+](C)C ZINC000134360662 276281266 /nfs/dbraw/zinc/28/12/66/276281266.db2.gz KBJHRRSDRFOKDH-GFCCVEGCSA-N 1 0 283.803 2.424 10 0 CEAERO CC[NH+](CC)CC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116211462 276321749 /nfs/dbraw/zinc/32/17/49/276321749.db2.gz ZPUGWLRORFIYSJ-GFCCVEGCSA-N 1 0 250.342 2.285 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCCn3nc(CC)nc32)C1(C)C ZINC000245958005 276347552 /nfs/dbraw/zinc/34/75/52/276347552.db2.gz XPTDHCFXBLJZPH-YNEHKIRRSA-N 1 0 292.427 2.469 10 0 CEAERO CCOc1cccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000247482253 276379282 /nfs/dbraw/zinc/37/92/82/276379282.db2.gz STYDSPJUNSFPJE-UKRRQHHQSA-N 1 0 288.391 2.394 10 0 CEAERO CC[C@@H](O)C[NH+]1CCN(C/C=C\c2ccc(F)cc2)CC1 ZINC000254976994 276444918 /nfs/dbraw/zinc/44/49/18/276444918.db2.gz ABFFCXAMHMORCU-CWIOURORSA-N 1 0 292.398 2.227 10 0 CEAERO CN1CCO[C@@H](C[NH2+][C@H]2CCCCC23CCCC3)C1 ZINC000311697341 276933795 /nfs/dbraw/zinc/93/37/95/276933795.db2.gz LJUKPUXIBYXZQJ-GJZGRUSLSA-N 1 0 266.429 2.410 10 0 CEAERO CN1CCO[C@@H](C[NH2+][C@@H]2CCCCC23CCCC3)C1 ZINC000311697344 276934072 /nfs/dbraw/zinc/93/40/72/276934072.db2.gz LJUKPUXIBYXZQJ-LSDHHAIUSA-N 1 0 266.429 2.410 10 0 CEAERO CC(C)(C)OC[C@@H](O)CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000246096164 277215679 /nfs/dbraw/zinc/21/56/79/277215679.db2.gz ITFWRGWCCPCKGV-HOTGVXAUSA-N 1 0 298.471 2.113 10 0 CEAERO COc1ccc([C@@H]2[NH2+]C[C@H](O)c3cc(O)ccc32)cc1 ZINC000031273456 277427589 /nfs/dbraw/zinc/42/75/89/277427589.db2.gz DVQHCBGOTACKAX-HOTGVXAUSA-N 1 0 271.316 2.127 10 0 CEAERO COc1ccc(C[NH2+]CC2C[C@H](C)O[C@@H](C)C2)cn1 ZINC000341495899 277896505 /nfs/dbraw/zinc/89/65/05/277896505.db2.gz YSUYJSICQSCUEU-RYUDHWBXSA-N 1 0 264.369 2.383 10 0 CEAERO COc1ccc(N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cn1 ZINC000093450691 277916798 /nfs/dbraw/zinc/91/67/98/277916798.db2.gz PSJJTPFAXFANMJ-MELADBBJSA-N 1 0 261.369 2.423 10 0 CEAERO COc1ccc2nc(CN3C[C@H]([NH3+])[C@@H](C)C3)sc2c1 ZINC000261927968 278003292 /nfs/dbraw/zinc/00/32/92/278003292.db2.gz CLVAIFLJCSSDLB-ONGXEEELSA-N 1 0 277.393 2.084 10 0 CEAERO CC(C)c1cccc(OCC(=O)N2CCC[C@H]2C[NH3+])c1 ZINC000236794781 278055775 /nfs/dbraw/zinc/05/57/75/278055775.db2.gz KWXXFCLAPKQRSU-AWEZNQCLSA-N 1 0 276.380 2.139 10 0 CEAERO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000263077808 278126056 /nfs/dbraw/zinc/12/60/56/278126056.db2.gz XEESJRYIRVHNHN-CZUORRHYSA-N 1 0 290.411 2.023 10 0 CEAERO CC(F)(F)CC[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000336257522 278160773 /nfs/dbraw/zinc/16/07/73/278160773.db2.gz LUDDCOLPHUSVJH-UHFFFAOYSA-N 1 0 263.328 2.161 10 0 CEAERO C[C@@H](C(=O)NC1(c2ccc(Cl)cc2)CC1)C1C[NH2+]C1 ZINC000262566549 278204581 /nfs/dbraw/zinc/20/45/81/278204581.db2.gz RTPVUHUYNKFNMN-SNVBAGLBSA-N 1 0 278.783 2.301 10 0 CEAERO CC(C)(C(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1cccc(F)c1 ZINC000172515803 278264527 /nfs/dbraw/zinc/26/45/27/278264527.db2.gz NSXHKRFTLALUFT-HNNXBMFYSA-N 1 0 290.382 2.410 10 0 CEAERO CC(C)(C)OC(=O)N(C1CC[NH2+]CC1)C(F)(F)F ZINC000095082900 278377390 /nfs/dbraw/zinc/37/73/90/278377390.db2.gz URUFHJWEJZTALD-UHFFFAOYSA-N 1 0 268.279 2.495 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1c(F)cccc1Cl ZINC000261567630 279114331 /nfs/dbraw/zinc/11/43/31/279114331.db2.gz ZYZGKMWTRVXHDS-GMSGAONNSA-N 1 0 256.708 2.041 10 0 CEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCc1nc(C)c(C)s1 ZINC000173828417 279144086 /nfs/dbraw/zinc/14/40/86/279144086.db2.gz KYWKNEMCZMKDLY-JTQLQIEISA-N 1 0 298.456 2.289 10 0 CEAERO Cc1nn(C(=O)Nc2ccc(C)cc2)c2c1C[NH2+]CC2 ZINC000096028864 279186527 /nfs/dbraw/zinc/18/65/27/279186527.db2.gz XPMGYTAOKHXYKF-UHFFFAOYSA-N 1 0 270.336 2.226 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)n1nc(C)cc1C ZINC000245434208 279300518 /nfs/dbraw/zinc/30/05/18/279300518.db2.gz RCHHFVNXPFWNOA-LSDHHAIUSA-N 1 0 292.427 2.004 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)C1 ZINC000175608232 279321966 /nfs/dbraw/zinc/32/19/66/279321966.db2.gz QMHQYXFALWYWFN-VDZJLULYSA-N 1 0 298.430 2.491 10 0 CEAERO CCN1CCC[C@H]([NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000336810702 279322751 /nfs/dbraw/zinc/32/27/51/279322751.db2.gz IYZJAMURRGKJBI-WOPDTQHZSA-N 1 0 280.334 2.170 10 0 CEAERO C[C@H](Cn1cccn1)[NH2+][C@H]1CCOc2ccccc21 ZINC000037155075 279387995 /nfs/dbraw/zinc/38/79/95/279387995.db2.gz FTFRQPOJHMGWHB-OCCSQVGLSA-N 1 0 257.337 2.385 10 0 CEAERO C[C@H]([NH3+])[C@@H]1CCCN(c2nnc(C(F)(F)F)s2)C1 ZINC000160373531 279407321 /nfs/dbraw/zinc/40/73/21/279407321.db2.gz FAFZBCFFKLNIDG-NKWVEPMBSA-N 1 0 280.319 2.121 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cc(F)cc(F)c1 ZINC000180602315 279522152 /nfs/dbraw/zinc/52/21/52/279522152.db2.gz DLKRYBPDCKNOMY-TVQRCGJNSA-N 1 0 278.306 2.222 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)N[C@H]1C[C@H]1c1ccccc1 ZINC000054309008 279640412 /nfs/dbraw/zinc/64/04/12/279640412.db2.gz QDKKKWJDIGXQKJ-QEJZJMRPSA-N 1 0 258.365 2.048 10 0 CEAERO CC(C)OC[C@H](O)C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000328339455 279688038 /nfs/dbraw/zinc/68/80/38/279688038.db2.gz LNRCAPBJQSWRHM-BAPHQMLMSA-N 1 0 267.413 2.187 10 0 CEAERO Cc1cccc(CNC(=O)N[C@H](CC(C)C)C[NH+](C)C)n1 ZINC000080085298 279689670 /nfs/dbraw/zinc/68/96/70/279689670.db2.gz NHTDUZOYSPQPBA-OAHLLOKOSA-N 1 0 292.427 2.166 10 0 CEAERO CC(C)[C@@H]1N(C(=O)C23CCC[NH+]2CCC3)C[C@@]12CCCO2 ZINC000334613299 280040410 /nfs/dbraw/zinc/04/04/10/280040410.db2.gz PDZPHXGHIQLNSJ-YOEHRIQHSA-N 1 0 292.423 2.031 10 0 CEAERO CC(C)[C@@H]1N(C(=O)C23CCC[NH+]2CCC3)C[C@]12CCCO2 ZINC000334613297 280040555 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CC(C)[C@H](C)NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000182190812 280218258 /nfs/dbraw/zinc/21/82/58/280218258.db2.gz AGPQZHLSJVPPLI-MJBXVCDLSA-N 1 0 267.417 2.157 10 0 CEAERO CC(C)CCC[C@@H](C)NC(=O)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000245450359 280240883 /nfs/dbraw/zinc/24/08/83/280240883.db2.gz OMXXCYYOLALACC-CVEARBPZSA-N 1 0 295.471 2.097 10 0 CEAERO CCc1ccc(O)c(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000245717021 280257921 /nfs/dbraw/zinc/25/79/21/280257921.db2.gz CZJLZEXCUXBXAI-OCCSQVGLSA-N 1 0 288.391 2.263 10 0 CEAERO CCC[C@@H](C)C[N@@H+]1CCN(CCOC)[C@@H](CC)C1 ZINC000245847719 280261981 /nfs/dbraw/zinc/26/19/81/280261981.db2.gz LPOOEAJMYKERFJ-CABCVRRESA-N 1 0 256.434 2.465 10 0 CEAERO CC[C@H](NC(=O)N(C)C[C@H]1CCC[N@@H+]1CC)[C@@H]1CCCO1 ZINC000245860371 280262793 /nfs/dbraw/zinc/26/27/93/280262793.db2.gz DFDYNISRIADGGJ-ILXRZTDVSA-N 1 0 297.443 2.070 10 0 CEAERO Cc1ccc(C)c(OCCN2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000246338681 280288288 /nfs/dbraw/zinc/28/82/88/280288288.db2.gz LQDROYFHUUPRSR-INIZCTEOSA-N 1 0 274.408 2.462 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCCC2(C)C)C1 ZINC000246554076 280300766 /nfs/dbraw/zinc/30/07/66/280300766.db2.gz WFROSAUYJQHLLV-CHWSQXEVSA-N 1 0 267.417 2.299 10 0 CEAERO CCc1ncc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2CC)s1 ZINC000246864872 280312662 /nfs/dbraw/zinc/31/26/62/280312662.db2.gz DNGJBMPINGJIPB-VXGBXAGGSA-N 1 0 293.436 2.404 10 0 CEAERO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@H+](C)C[C@H]1CCOC1 ZINC000247081342 280320041 /nfs/dbraw/zinc/32/00/41/280320041.db2.gz PFKVPDOACGAUGO-RRFJBIMHSA-N 1 0 290.407 2.221 10 0 CEAERO CCCCOC[C@H](O)C[N@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000248645602 280357050 /nfs/dbraw/zinc/35/70/50/280357050.db2.gz GIGKCJSYFYVQRI-RHSMWYFYSA-N 1 0 295.423 2.433 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCSC2)C12CCOCC2 ZINC000248987825 280378016 /nfs/dbraw/zinc/37/80/16/280378016.db2.gz KJDPFSZOICTRCA-MELADBBJSA-N 1 0 285.453 2.446 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H]1CCC(C)(C)O1 ZINC000249131337 280385630 /nfs/dbraw/zinc/38/56/30/280385630.db2.gz FDKRHKCIIYAFKM-ZIAGYGMSSA-N 1 0 297.443 2.070 10 0 CEAERO COC[C@H](C)C[N@@H+]1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000249249977 280389494 /nfs/dbraw/zinc/38/94/94/280389494.db2.gz BVHYMAZDNAHIAX-HCKVZZMMSA-N 1 0 285.334 2.355 10 0 CEAERO C[C@H]1CN(C(=O)CSCc2ccc(Cl)cc2)C[C@@H]1[NH3+] ZINC000423946671 281107973 /nfs/dbraw/zinc/10/79/73/281107973.db2.gz IVCPPZRGSIBZAX-GWCFXTLKSA-N 1 0 298.839 2.379 10 0 CEAERO CCCC1(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000154201758 289138448 /nfs/dbraw/zinc/13/84/48/289138448.db2.gz HGFXLEDTBUBRBM-UONOGXRCSA-N 1 0 279.428 2.445 10 0 CEAERO COCCCCCNC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000154811309 289155338 /nfs/dbraw/zinc/15/53/38/289155338.db2.gz SUTNHSPVSCRWBA-OAHLLOKOSA-N 1 0 299.459 2.223 10 0 CEAERO CCC[C@H](C(=O)N1CC[NH+](C2CCCCC2)CC1)[NH+](C)C ZINC000157966615 289225999 /nfs/dbraw/zinc/22/59/99/289225999.db2.gz FBHLPKCEOYLARH-MRXNPFEDSA-N 1 0 295.471 2.194 10 0 CEAERO COc1ccc(O)cc1C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000188803488 295169752 /nfs/dbraw/zinc/16/97/52/295169752.db2.gz YICMTBKQGUTZJH-GFCCVEGCSA-N 1 0 294.395 2.107 10 0 CEAERO COc1ccc([C@@H]([NH2+][C@H]2CCC(=O)NC2)C2CC2)cc1 ZINC000111017469 295217300 /nfs/dbraw/zinc/21/73/00/295217300.db2.gz FNZIJUYVJMUOKV-BBRMVZONSA-N 1 0 274.364 2.015 10 0 CEAERO [NH3+]C[C@H](C(=O)N1C[C@@H]2CCCC[C@@H]2C1)c1ccccc1 ZINC000178566394 295261270 /nfs/dbraw/zinc/26/12/70/295261270.db2.gz RYRXBUBGWJROLP-XHSDSOJGSA-N 1 0 272.392 2.378 10 0 CEAERO [NH3+]C[C@H]1CCCN1C(=O)[C@@H]1CCCc2sccc21 ZINC000131553330 295269919 /nfs/dbraw/zinc/26/99/19/295269919.db2.gz XWARMHSOIFFLFP-ZYHUDNBSSA-N 1 0 264.394 2.118 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1Nc1nnc(C(F)(F)F)s1 ZINC000160377650 295271022 /nfs/dbraw/zinc/27/10/22/295271022.db2.gz FXBZOCKLDQZAHF-RITPCOANSA-N 1 0 266.292 2.096 10 0 CEAERO COc1cccc(CN2CCCC[C@@H]2C[NH3+])c1OC ZINC000044540204 295297228 /nfs/dbraw/zinc/29/72/28/295297228.db2.gz FSPCFADCAXQAGM-CYBMUJFWSA-N 1 0 264.369 2.017 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000250634799 295307148 /nfs/dbraw/zinc/30/71/48/295307148.db2.gz FFTCIQJCMFRIFI-XWLWVQCSSA-N 1 0 278.318 2.351 10 0 CEAERO [NH3+][C@H](CO)c1cc(Cl)ccc1Br ZINC000072199128 295332041 /nfs/dbraw/zinc/33/20/41/295332041.db2.gz PBDZJYYIEXHHKS-MRVPVSSYSA-N 1 0 250.523 2.095 10 0 CEAERO CC(C)c1nsc(N2CC[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000164018544 297461576 /nfs/dbraw/zinc/46/15/76/297461576.db2.gz OQPBMLATPHKDFI-UWVGGRQHSA-N 1 0 254.403 2.083 10 0 CEAERO C[C@@H]1OCCC[C@@H]1C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000249906652 297560086 /nfs/dbraw/zinc/56/00/86/297560086.db2.gz HGTJWOVWOBPOHH-XHSDSOJGSA-N 1 0 294.439 2.278 10 0 CEAERO CSCCC[NH2+]CC(=O)Nc1cccc(F)c1 ZINC000069446465 525476557 /nfs/dbraw/zinc/47/65/57/525476557.db2.gz OQRBUOCRANKTLI-UHFFFAOYSA-N 1 0 256.346 2.107 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CSC(C)(C)C ZINC000113232471 300313025 /nfs/dbraw/zinc/31/30/25/300313025.db2.gz NQSLEYGLFSFFJM-NWDGAFQWSA-N 1 0 270.442 2.213 10 0 CEAERO C[C@H]1C[C@H](NC(=O)[C@]2(C)CCCC[NH2+]2)C[C@@H](C)C1 ZINC000248394642 300518791 /nfs/dbraw/zinc/51/87/91/300518791.db2.gz FRZYQXKDTKDYBH-JLNYLFASSA-N 1 0 252.402 2.460 10 0 CEAERO C[C@]1(C[NH3+])CCN(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)C1 ZINC000261750572 300794310 /nfs/dbraw/zinc/79/43/10/300794310.db2.gz DUMYTIRBXZQAJG-IIAWOOMASA-N 1 0 264.413 2.400 10 0 CEAERO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000250101217 302164341 /nfs/dbraw/zinc/16/43/41/302164341.db2.gz RKWSBQWWAWPLHY-SYAUCNOPSA-N 1 0 272.392 2.213 10 0 CEAERO Cc1ccsc1[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000282152366 302312147 /nfs/dbraw/zinc/31/21/47/302312147.db2.gz CTHPWMYBCMOXPB-OUAUKWLOSA-N 1 0 252.383 2.374 10 0 CEAERO Cc1sc2ncnc(N3CCC[C@@H]3C[NH3+])c2c1C ZINC000053663317 302883602 /nfs/dbraw/zinc/88/36/02/302883602.db2.gz OCMUHLXAHDHNMD-SNVBAGLBSA-N 1 0 262.382 2.236 10 0 CEAERO [NH3+]CC[C@@H](Nc1ncnc2ccsc21)C(F)F ZINC000383456273 321848390 /nfs/dbraw/zinc/84/83/90/321848390.db2.gz NJKBAXBKRLNNRY-SSDOTTSWSA-N 1 0 258.297 2.086 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1ccc2c(c1)CCCO2 ZINC000383874764 321850096 /nfs/dbraw/zinc/85/00/96/321850096.db2.gz VEQMVFSQDAGGQZ-GFCCVEGCSA-N 1 0 274.364 2.340 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(C)CCc1cccs1 ZINC000384519375 321853076 /nfs/dbraw/zinc/85/30/76/321853076.db2.gz HOOJYBKKVYCLPC-AAEUAGOBSA-N 1 0 266.410 2.137 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@]1(C[NH3+])C(F)(F)F ZINC000259289800 330381932 /nfs/dbraw/zinc/38/19/32/330381932.db2.gz VMUITAFSDWVMHR-JTQLQIEISA-N 1 0 268.279 2.277 10 0 CEAERO CO/C=C/c1ccc(OC[C@@H](O)C[NH2+]C(C)C)cc1 ZINC000504521829 332713982 /nfs/dbraw/zinc/71/39/82/332713982.db2.gz MGUWWYDYCIZGNU-VFNNOXKTSA-N 1 0 265.353 2.041 10 0 CEAERO c1ccc(O[C@H]2CO[C@]3(CC[N@@H+](C4CCC4)C3)C2)nc1 ZINC000253596618 333185623 /nfs/dbraw/zinc/18/56/23/333185623.db2.gz UDUJFRSEEMIXON-GDBMZVCRSA-N 1 0 274.364 2.246 10 0 CEAERO CC(C)(C)[NH2+]C[C@H]1CC[C@H](COCC2CCOCC2)O1 ZINC000052708654 518761891 /nfs/dbraw/zinc/76/18/91/518761891.db2.gz OMOSMMMWTOKPFV-HUUCEWRRSA-N 1 0 285.428 2.365 10 0 CEAERO CC(C)C[NH+]1CCN(c2ncc(CO)cc2Cl)CC1 ZINC000055080530 519729206 /nfs/dbraw/zinc/72/92/06/519729206.db2.gz DMZRWBXXONUUET-UHFFFAOYSA-N 1 0 283.803 2.005 10 0 CEAERO CC(C)C[NH2+]Cc1ccoc1CN1CCO[C@H](C)C1 ZINC000052382349 519748104 /nfs/dbraw/zinc/74/81/04/519748104.db2.gz XQGCWCHYAGFTOA-CYBMUJFWSA-N 1 0 266.385 2.246 10 0 CEAERO CC(C)C[NH2+]Cc1cn(CCO[C@@H](C)CC(C)C)nn1 ZINC000052603572 519748382 /nfs/dbraw/zinc/74/83/82/519748382.db2.gz MXUWUKPIBVOZPU-AWEZNQCLSA-N 1 0 282.432 2.475 10 0 CEAERO CCCC1CCC(NS(=O)(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000049646362 519898883 /nfs/dbraw/zinc/89/88/83/519898883.db2.gz LYPOHOAQCHPTKT-RUXDESIVSA-N 1 0 288.457 2.017 10 0 CEAERO CC[NH2+]CCC(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000061290451 519917827 /nfs/dbraw/zinc/91/78/27/519917827.db2.gz CAXAITIXAQPQHQ-UHFFFAOYSA-N 1 0 284.743 2.049 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)NCc1ccccc1OC(F)F ZINC000061267490 519936531 /nfs/dbraw/zinc/93/65/31/519936531.db2.gz BMKHANICFHEQGE-SNVBAGLBSA-N 1 0 286.322 2.150 10 0 CEAERO CCC[NH2+]Cc1cc(Cl)ccc1OC[C@@H](O)COC ZINC000069053451 519943765 /nfs/dbraw/zinc/94/37/65/519943765.db2.gz RALDNDVUVFOEAL-ZDUSSCGKSA-N 1 0 287.787 2.226 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)NCc1ccc(Br)cc1 ZINC000061228329 519963717 /nfs/dbraw/zinc/96/37/17/519963717.db2.gz KEYLLBYWUSVYHX-JTQLQIEISA-N 1 0 299.212 2.311 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000061267548 519967142 /nfs/dbraw/zinc/96/71/42/519967142.db2.gz ZFWJASBQJAFBAX-NSHDSACASA-N 1 0 278.352 2.047 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccc(F)cc1OC[C@H](O)COC ZINC000069053936 519988688 /nfs/dbraw/zinc/98/86/88/519988688.db2.gz SAXFQICRCQNPSB-WCQYABFASA-N 1 0 285.359 2.272 10 0 CEAERO CCCN[C@@H](CC[N@H+](CC)C1CCCC1)C(=O)OC ZINC000062448559 519995353 /nfs/dbraw/zinc/99/53/53/519995353.db2.gz DUBZOYGNIVZPEP-AWEZNQCLSA-N 1 0 270.417 2.182 10 0 CEAERO CCCN[C@@H](CC[NH+]1CCC(CCC)CC1)C(=O)OC ZINC000062531162 519998952 /nfs/dbraw/zinc/99/89/52/519998952.db2.gz YENGEPHPYUBCPZ-HNNXBMFYSA-N 1 0 284.444 2.430 10 0 CEAERO CCC[NH2+][C@@](C)(C[C@@H](C)Oc1ccccc1F)C(N)=O ZINC000068655875 520040758 /nfs/dbraw/zinc/04/07/58/520040758.db2.gz HNOKCSOMMJLRTK-ABAIWWIYSA-N 1 0 282.359 2.227 10 0 CEAERO CCCN[C@H](CC[N@H+](C)CC1CCCCC1)C(=O)OC ZINC000062526741 520068720 /nfs/dbraw/zinc/06/87/20/520068720.db2.gz VTNATVTXAKZCNX-OAHLLOKOSA-N 1 0 284.444 2.430 10 0 CEAERO CC[NH2+][C@@H](CCOc1cccc(C(C)C)c1)C(N)=O ZINC000062548023 520092360 /nfs/dbraw/zinc/09/23/60/520092360.db2.gz SMJHFUGAIRZAFJ-AWEZNQCLSA-N 1 0 264.369 2.042 10 0 CEAERO CC[NH2+][C@@H](c1ccc(OC)cc1OC)[C@H]1CCOC1 ZINC000048624721 520112122 /nfs/dbraw/zinc/11/21/22/520112122.db2.gz ZRPPTYAPILAKGJ-XHDPSFHLSA-N 1 0 265.353 2.391 10 0 CEAERO CCN[C@@](C)(C[C@H](C)[N@H+](CC(C)C)C1CC1)C(=O)OC ZINC000068632930 520144378 /nfs/dbraw/zinc/14/43/78/520144378.db2.gz WDAZLIIKSKSLTE-BBRMVZONSA-N 1 0 284.444 2.427 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N(C)Cc1ccc(F)cc1F ZINC000061271963 520162147 /nfs/dbraw/zinc/16/21/47/520162147.db2.gz RBORRHMHIPRRMU-SNVBAGLBSA-N 1 0 270.323 2.311 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N(C)Cc1ccccc1OCC ZINC000061272652 520163554 /nfs/dbraw/zinc/16/35/54/520163554.db2.gz BBZJJIQOOWYYRX-CYBMUJFWSA-N 1 0 278.396 2.432 10 0 CEAERO CCN[C@H](CC[N@H+](CC1CC1)C(C)C)C(=O)OCC ZINC000062525657 520186551 /nfs/dbraw/zinc/18/65/51/520186551.db2.gz YPGZKJQJFRQQDI-CQSZACIVSA-N 1 0 270.417 2.038 10 0 CEAERO CCN[C@H](CC[NH+]1CCC(C(C)(C)C)CC1)C(=O)OC ZINC000062530654 520189146 /nfs/dbraw/zinc/18/91/46/520189146.db2.gz WHELZQLWSUJXPN-CQSZACIVSA-N 1 0 284.444 2.286 10 0 CEAERO CCCC[N@H+](C)C[C@](NCC)(C(=O)OCC)C1CC1 ZINC000069088932 520415972 /nfs/dbraw/zinc/41/59/72/520415972.db2.gz XXCAAEJOKKWFTB-OAHLLOKOSA-N 1 0 270.417 2.040 10 0 CEAERO CCCC[N@H+](CCO)Cc1cccnc1NCC ZINC000052725528 520522693 /nfs/dbraw/zinc/52/26/93/520522693.db2.gz TWDJAYGBCKBKAT-UHFFFAOYSA-N 1 0 251.374 2.108 10 0 CEAERO CCC[C@@H](C)NC(=O)Cn1ccnc1C[NH2+]C(C)(C)C ZINC000051015318 520656658 /nfs/dbraw/zinc/65/66/58/520656658.db2.gz PTPQKEJYKVWUCJ-GFCCVEGCSA-N 1 0 280.416 2.076 10 0 CEAERO CCOc1cc(C[NH3+])ccc1OCCOC(C)C ZINC000049258838 520696404 /nfs/dbraw/zinc/69/64/04/520696404.db2.gz CXGRNCYWKCWDAM-UHFFFAOYSA-N 1 0 253.342 2.348 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)N[C@H]1CC12CCCCC2 ZINC000387250387 500679315 /nfs/dbraw/zinc/67/93/15/500679315.db2.gz KBDQJYATALMWEH-OLZOCXBDSA-N 1 0 250.386 2.215 10 0 CEAERO CCCCOCCOC[C@@H]1CC[C@@H](C[NH2+]C(C)C)O1 ZINC000052629036 520788412 /nfs/dbraw/zinc/78/84/12/520788412.db2.gz AOQXOXFGURBNAX-GJZGRUSLSA-N 1 0 273.417 2.365 10 0 CEAERO CCC[C@H](C)[N@H+](C)C[C@](NC)(C(=O)OCC)C1CC1 ZINC000069100234 521035800 /nfs/dbraw/zinc/03/58/00/521035800.db2.gz SYOLWKMTCSCBFY-SWLSCSKDSA-N 1 0 270.417 2.038 10 0 CEAERO CCOC(=O)[C@H](CC[N@H+](CC)CC(CC)CC)NC ZINC000062461545 521242389 /nfs/dbraw/zinc/24/23/89/521242389.db2.gz PTVNLSHZURBRML-AWEZNQCLSA-N 1 0 272.433 2.286 10 0 CEAERO CCC(C)(C)[N@H+](C)CCCC[C@](C)([NH2+]C1CC1)C(N)=O ZINC000069446660 521301419 /nfs/dbraw/zinc/30/14/19/521301419.db2.gz GXJKWRFMCSYURE-INIZCTEOSA-N 1 0 283.460 2.273 10 0 CEAERO CCOC(=O)[C@](C)([NH3+])CCSc1cccc(OC)c1 ZINC000045558304 521327236 /nfs/dbraw/zinc/32/72/36/521327236.db2.gz MKRUBQDADVTEMT-CQSZACIVSA-N 1 0 283.393 2.458 10 0 CEAERO CCOC(=O)[C@](C)(C[C@@H](C)[N@@H+]1CCC[C@@H]1C)NC1CC1 ZINC000068615202 521322624 /nfs/dbraw/zinc/32/26/24/521322624.db2.gz IXRKDDGQOYEVDW-ZENOOKHLSA-N 1 0 282.428 2.323 10 0 CEAERO CCS(=O)(=O)CCOc1ccc(C[NH2+]CC(C)C)cc1 ZINC000062728915 521645090 /nfs/dbraw/zinc/64/50/90/521645090.db2.gz FRYRLMIDEOHYQZ-UHFFFAOYSA-N 1 0 299.436 2.246 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N[C@@H](C)Cc1cccc(Cl)c1 ZINC000061300867 521937444 /nfs/dbraw/zinc/93/74/44/521937444.db2.gz LACMJXIISAWBOA-JTQLQIEISA-N 1 0 268.788 2.385 10 0 CEAERO CC[C@@H](C)COc1cc2c(cc1CC[NH3+])OCO2 ZINC000050427612 522001349 /nfs/dbraw/zinc/00/13/49/522001349.db2.gz VQXMNMBAEADROS-SNVBAGLBSA-N 1 0 251.326 2.341 10 0 CEAERO CC[C@@H](C)CNS(=O)(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000054489116 521996940 /nfs/dbraw/zinc/99/69/40/521996940.db2.gz VWMXNPKWDPVLHW-MNOVXSKESA-N 1 0 270.398 2.031 10 0 CEAERO C[NH2+]C[C@H](Cc1cnn(C)c1)Cc1ccccc1C ZINC000052978656 522074150 /nfs/dbraw/zinc/07/41/50/522074150.db2.gz KZUXUELGCVYISE-CQSZACIVSA-N 1 0 257.381 2.349 10 0 CEAERO C[NH2+]C[C@H](OC[C@@H]1CCCO1)c1cccc(OC)c1 ZINC000050494579 522076862 /nfs/dbraw/zinc/07/68/62/522076862.db2.gz JLLYHSLFPYZCOB-GJZGRUSLSA-N 1 0 265.353 2.151 10 0 CEAERO C[NH2+]C[C@H](OC1CCOCC1)c1ccc(F)cc1 ZINC000050485984 522076879 /nfs/dbraw/zinc/07/68/79/522076879.db2.gz DSOGWMWCYBYDNA-AWEZNQCLSA-N 1 0 253.317 2.282 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(CC2(CO)CCCCC2)CC1 ZINC000055072903 522119634 /nfs/dbraw/zinc/11/96/34/522119634.db2.gz RUARIVILMBDXTF-OAHLLOKOSA-N 1 0 268.445 2.345 10 0 CEAERO C[NH2+]Cc1ccnc(N2CCc3sccc3C2)c1 ZINC000051400273 522138304 /nfs/dbraw/zinc/13/83/04/522138304.db2.gz WPJPNUXYMQYQJN-UHFFFAOYSA-N 1 0 259.378 2.425 10 0 CEAERO C[NH2+]Cc1sc(N(C)CCc2ccncc2)nc1C ZINC000054998087 522167142 /nfs/dbraw/zinc/16/71/42/522167142.db2.gz HIAYDMWVMYOPGL-UHFFFAOYSA-N 1 0 276.409 2.245 10 0 CEAERO C[NH2+][C@@H](C)c1c(C)nn(C[C@H]2CCCCO2)c1C ZINC000054717885 522330738 /nfs/dbraw/zinc/33/07/38/522330738.db2.gz PJGBDRKQRBYWKD-GXFFZTMASA-N 1 0 251.374 2.349 10 0 CEAERO C[NH2+][C@@H](C)c1ccccc1OC[C@H](O)C(F)(F)F ZINC000068876426 522337000 /nfs/dbraw/zinc/33/70/00/522337000.db2.gz NXBCEJVTUFTEHB-KWQFWETISA-N 1 0 263.259 2.269 10 0 CEAERO C[NH2+][C@@H](C)c1cnc(Cc2nc(C)cs2)nc1C ZINC000055269972 522337140 /nfs/dbraw/zinc/33/71/40/522337140.db2.gz CYYALLZDSOOLML-VIFPVBQESA-N 1 0 262.382 2.421 10 0 CEAERO C[NH2+][C@@](C)(CCCCOc1cc(C)cc(C)c1)C(N)=O ZINC000045516203 522408222 /nfs/dbraw/zinc/40/82/22/522408222.db2.gz WXIVWTRRSGTOGX-INIZCTEOSA-N 1 0 278.396 2.316 10 0 CEAERO C[NH2+][C@H](C)c1nnc(-c2c(OC)cccc2OC)o1 ZINC000050618321 522454925 /nfs/dbraw/zinc/45/49/25/522454925.db2.gz VMJLUMXDASIDNW-MRVPVSSYSA-N 1 0 263.297 2.034 10 0 CEAERO C[C@H](NCc1cnn(Cc2ccccc2)c1)[C@H]1CC[NH2+]C1 ZINC000400440248 533939072 /nfs/dbraw/zinc/93/90/72/533939072.db2.gz MFCTZYWUHDVTRK-YOEHRIQHSA-N 1 0 284.407 2.019 10 0 CEAERO C[C@@H](C[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1)N(C)C ZINC000400334687 534077864 /nfs/dbraw/zinc/07/78/64/534077864.db2.gz DXVLZHFQQCDVDS-IHRRRGAJSA-N 1 0 299.459 2.172 10 0 CEAERO CC[C@H]([NH3+])Cc1ccc(OC)c(OC[C@@H]2CCOC2)c1 ZINC000049689964 517819350 /nfs/dbraw/zinc/81/93/50/517819350.db2.gz VUZWWVBEANXRHJ-KGLIPLIRSA-N 1 0 279.380 2.390 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCCC1=CCCCC1 ZINC000089450614 518197445 /nfs/dbraw/zinc/19/74/45/518197445.db2.gz NASYNFZDKMUDGB-UONOGXRCSA-N 1 0 250.386 2.368 10 0 CEAERO C(OC1(C[NH2+]C2CC2)CCCCC1)[C@@H]1CCOC1 ZINC000050501269 518400485 /nfs/dbraw/zinc/40/04/85/518400485.db2.gz HPYFWADQOQDHHP-CYBMUJFWSA-N 1 0 253.386 2.494 10 0 CEAERO CC(C)(C)C1CCC(C(=O)NC2[C@H]3C[NH2+]C[C@@H]23)CC1 ZINC000054668118 518602376 /nfs/dbraw/zinc/60/23/76/518602376.db2.gz KEHGLROPPOXSRU-LJZITESISA-N 1 0 264.413 2.173 10 0 CEAERO CC(C)(C)[NH2+]C[C@@H]1CC[C@@H](Cn2nnc3ccccc32)O1 ZINC000052576715 518760357 /nfs/dbraw/zinc/76/03/57/518760357.db2.gz UAONSMMIKLAFQN-STQMWFEESA-N 1 0 288.395 2.367 10 0 CEAERO CC(C)(C)[NH2+]C[C@@H]1CCCN(Cc2ncccn2)C1 ZINC000054460394 518761392 /nfs/dbraw/zinc/76/13/92/518761392.db2.gz FFMCIQSOCDGOGP-ZDUSSCGKSA-N 1 0 262.401 2.077 10 0 CEAERO CC(C)(C)[NH2+]Cc1ccc(O[C@H]2CCS(=O)(=O)C2)cc1 ZINC000062728836 518764574 /nfs/dbraw/zinc/76/45/74/518764574.db2.gz XPMMYPQLKHXDLS-AWEZNQCLSA-N 1 0 297.420 2.141 10 0 CEAERO CC(C)(C)[NH2+]Cc1ccc(OC[C@H]2CCOC2)nc1 ZINC000051572123 518764860 /nfs/dbraw/zinc/76/48/60/518764860.db2.gz FKSPYWKRDMFZLK-ZDUSSCGKSA-N 1 0 264.369 2.385 10 0 CEAERO CC(C)(C)[NH2+]Cc1nccn1CCc1ccncc1 ZINC000051015414 518767359 /nfs/dbraw/zinc/76/73/59/518767359.db2.gz HAQWAVPIZBXANB-UHFFFAOYSA-N 1 0 258.369 2.409 10 0 CEAERO CC(C)(C)[NH2+]Cc1cnc(N2CCN(C3CC3)CC2)s1 ZINC000054909500 518767907 /nfs/dbraw/zinc/76/79/07/518767907.db2.gz WXRRFYOYJIAQSI-UHFFFAOYSA-N 1 0 294.468 2.316 10 0 CEAERO CC(C)(C)c1ccc([C@@H]([NH3+])Cn2ncccc2=O)cc1 ZINC000061402857 519048657 /nfs/dbraw/zinc/04/86/57/519048657.db2.gz NQAPQVJYIADVAI-AWEZNQCLSA-N 1 0 271.364 2.241 10 0 CEAERO CC(C)(C)n1ccnc(N[C@@H]2CC[NH2+]C3(CCC3)C2)c1=O ZINC000061767411 519167169 /nfs/dbraw/zinc/16/71/69/519167169.db2.gz IXTVFMHNARMAJQ-GFCCVEGCSA-N 1 0 290.411 2.085 10 0 CEAERO CC(C)C[C@@H]([NH2+][C@@H]1CCO[C@H](C(C)C)C1)C(=O)N(C)C ZINC000070349037 519253274 /nfs/dbraw/zinc/25/32/74/519253274.db2.gz CVRYNVRKUQZHOU-KFWWJZLASA-N 1 0 284.444 2.283 10 0 CEAERO CC(C)N1C(=O)C[C@@H]([NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000070293559 519665707 /nfs/dbraw/zinc/66/57/07/519665707.db2.gz BLPMEWVTIIBGOB-ZWNOBZJWSA-N 1 0 272.270 2.113 10 0 CEAERO CC(C)CC[C@@H](C[NH2+]C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000052951186 519683078 /nfs/dbraw/zinc/68/30/78/519683078.db2.gz RGJXCGNONLMEOJ-KBPBESRZSA-N 1 0 275.458 2.472 10 0 CEAERO CC(C)[NH2+]CCCO[C@@H](C)C(=O)Nc1ccccc1 ZINC000051863433 519720612 /nfs/dbraw/zinc/72/06/12/519720612.db2.gz WBUXFYBYFAFPLY-ZDUSSCGKSA-N 1 0 264.369 2.418 10 0 CEAERO CC(C)[NH2+]C[C@H](Oc1cccc(S(C)(=O)=O)c1)C(C)C ZINC000052701329 519724682 /nfs/dbraw/zinc/72/46/82/519724682.db2.gz UQUZXEUXZYVJNZ-HNNXBMFYSA-N 1 0 299.436 2.492 10 0 CEAERO CC(C)C[NH+]1CCN(C[C@H]2CCCCC[C@H]2O)CC1 ZINC000055082379 519726461 /nfs/dbraw/zinc/72/64/61/519726461.db2.gz OSHKPGMSFKYWKF-HZPDHXFCSA-N 1 0 268.445 2.201 10 0 CEAERO CC(C)NC(=O)CCOc1cccc(C[NH2+]C(C)C)c1 ZINC000054047769 519727237 /nfs/dbraw/zinc/72/72/37/519727237.db2.gz IZLLLLQLBYCZPI-UHFFFAOYSA-N 1 0 278.396 2.478 10 0 CEAERO CC(C)[NH2+]Cc1ccccc1N(C)CC(=O)N1CCCC1 ZINC000048985910 519727908 /nfs/dbraw/zinc/72/79/08/519727908.db2.gz NRZGSNSJCPZPCY-UHFFFAOYSA-N 1 0 289.423 2.243 10 0 CEAERO CC(C)[NH2+]Cc1nccn1CC(=O)Nc1ccccc1F ZINC000051005648 519728982 /nfs/dbraw/zinc/72/89/82/519728982.db2.gz GHSVLNZTOVZHHE-UHFFFAOYSA-N 1 0 290.342 2.159 10 0 CEAERO CC(C)[NH2+]Cc1nc(Cn2nnc3ccccc32)cs1 ZINC000052576776 519729169 /nfs/dbraw/zinc/72/91/69/519729169.db2.gz LOXDYLCWELBKIE-UHFFFAOYSA-N 1 0 287.392 2.434 10 0 CEAERO CC(C)[NH2+]Cc1nnnn1-c1ccc(C(C)C)cc1 ZINC000054744705 519729559 /nfs/dbraw/zinc/72/95/59/519729559.db2.gz YLGYNHBKDJXBQI-UHFFFAOYSA-N 1 0 259.357 2.284 10 0 CEAERO CC(C)[NH2+]Cc1nnnn1[C@H](C)c1cccc(Cl)c1 ZINC000054747765 519730239 /nfs/dbraw/zinc/73/02/39/519730239.db2.gz JVCKOJMHFOCBCD-SNVBAGLBSA-N 1 0 279.775 2.434 10 0 CEAERO CC(C)[NH2+]Cc1nnnn1[C@H](C)CCc1ccccc1 ZINC000054747880 519730387 /nfs/dbraw/zinc/73/03/87/519730387.db2.gz ZXUZYMAAQWJMAM-CYBMUJFWSA-N 1 0 273.384 2.365 10 0 CEAERO CC(C)C[NH2+]Cc1cccnc1N1CCOCC1(C)C ZINC000051492819 519747924 /nfs/dbraw/zinc/74/79/24/519747924.db2.gz SGXWAWYUKPJCCV-UHFFFAOYSA-N 1 0 277.412 2.442 10 0 CEAERO CC(C)C[NH2+]Cc1nnnn1[C@@H]1CCC[C@@H](C)C1 ZINC000054745216 519748851 /nfs/dbraw/zinc/74/88/51/519748851.db2.gz MUJZTRUDGBZHAZ-VXGBXAGGSA-N 1 0 251.378 2.170 10 0 CEAERO CC(C)COC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000052899095 519750950 /nfs/dbraw/zinc/75/09/50/519750950.db2.gz JTVYYKPSCQNQCK-UHFFFAOYSA-N 1 0 250.342 2.070 10 0 CEAERO CC(C)OCCN(CCC[NH3+])c1ccc(F)cc1 ZINC000049259213 519765239 /nfs/dbraw/zinc/76/52/39/519765239.db2.gz CDXGAFQAIYNNPK-UHFFFAOYSA-N 1 0 254.349 2.406 10 0 CEAERO CC(C)COc1nc(N2CCC[C@@H]2C[NH+](C)C)ccc1N ZINC000061642899 519766082 /nfs/dbraw/zinc/76/60/82/519766082.db2.gz XOYXZDDHWPMNDX-CYBMUJFWSA-N 1 0 292.427 2.229 10 0 CEAERO CC(C)OCCOC[C@@H]1CC[C@H](C[NH2+]C(C)(C)C)O1 ZINC000052627597 519768625 /nfs/dbraw/zinc/76/86/25/519768625.db2.gz AFEYIHQCZXXSLG-KGLIPLIRSA-N 1 0 273.417 2.364 10 0 CEAERO CC(C)OCCOC[C@H]1CC[C@H](C[NH2+]C(C)(C)C)O1 ZINC000052627600 519768674 /nfs/dbraw/zinc/76/86/74/519768674.db2.gz AFEYIHQCZXXSLG-ZIAGYGMSSA-N 1 0 273.417 2.364 10 0 CEAERO CC(C)C[C@@H](CCS(C)(=O)=O)C[NH2+]C(C)(C)C ZINC000052968727 519775075 /nfs/dbraw/zinc/77/50/75/519775075.db2.gz XDRKADJBQNOMGU-GFCCVEGCSA-N 1 0 263.447 2.472 10 0 CEAERO CC(C)Oc1ccc([C@@H]([NH3+])CN2C[C@@H](C)CC2=O)cc1 ZINC000062816484 519781673 /nfs/dbraw/zinc/78/16/73/519781673.db2.gz DRCAZUDQYXMYNF-WFASDCNBSA-N 1 0 276.380 2.342 10 0 CEAERO CC(C)Oc1ccc([C@@](O)(C[NH3+])C(F)(F)F)cc1 ZINC000062784663 519781741 /nfs/dbraw/zinc/78/17/41/519781741.db2.gz OPPFQEBUFIKRQW-NSHDSACASA-N 1 0 263.259 2.182 10 0 CEAERO CC(C)Oc1nc(Cl)nc(NCC[N@H+](C)C(C)C)n1 ZINC000061542641 519785720 /nfs/dbraw/zinc/78/57/20/519785720.db2.gz WJDJNNCKLGLHBT-UHFFFAOYSA-N 1 0 287.795 2.064 10 0 CEAERO CC(C)[C@@]1(C)CC(=O)N(c2ccc3c(c2)C[NH2+]CC3)C1=O ZINC000069052867 519808481 /nfs/dbraw/zinc/80/84/81/519808481.db2.gz WLHQXAARBSTCMF-QGZVFWFLSA-N 1 0 286.375 2.258 10 0 CEAERO CC(C)[C@H]1CCC(=O)[C@@H](C[NH+]2CCN(C3CC3)CC2)C1 ZINC000054559354 519824419 /nfs/dbraw/zinc/82/44/19/519824419.db2.gz WSMLZYAWUFDTFZ-LSDHHAIUSA-N 1 0 278.440 2.408 10 0 CEAERO CC(C)[C@H]1CCC(=O)[C@H](C[N@@H+]2CCCN(C)CC2)C1 ZINC000054558922 519824524 /nfs/dbraw/zinc/82/45/24/519824524.db2.gz HWOLBIPKWAHBQD-GJZGRUSLSA-N 1 0 266.429 2.265 10 0 CEAERO CC(C)[C@H]1CN(CCn2cccn2)[C@H](C(C)(C)C)C[NH2+]1 ZINC000068703685 519826888 /nfs/dbraw/zinc/82/68/88/519826888.db2.gz HYPXHVBLYGCOIU-CABCVRRESA-N 1 0 278.444 2.228 10 0 CEAERO CC(C)c1ccc(CNC(=O)c2ccc(NN)[nH+]c2)cc1 ZINC000051119461 519836145 /nfs/dbraw/zinc/83/61/45/519836145.db2.gz IIGROIRFOKLHAB-UHFFFAOYSA-N 1 0 284.363 2.421 10 0 CEAERO CCC1CCC(N(C)C(=O)n2cc[n+](C)c2)CC1 ZINC000049024799 519853274 /nfs/dbraw/zinc/85/32/74/519853274.db2.gz BZLNJZQXDMAFOH-UHFFFAOYSA-N 1 0 250.366 2.181 10 0 CEAERO CCC1CC[NH+](C[C@](NC(C)C)(C(=O)OC)C2CC2)CC1 ZINC000069183850 519859336 /nfs/dbraw/zinc/85/93/36/519859336.db2.gz PJUZLGXOISSKCT-QGZVFWFLSA-N 1 0 296.455 2.428 10 0 CEAERO CCC1CC[NH+](C[C@H](O)c2ccc(C(N)=S)cc2)CC1 ZINC000048908034 519859359 /nfs/dbraw/zinc/85/93/59/519859359.db2.gz LMGJWBZQSSCDDO-HNNXBMFYSA-N 1 0 292.448 2.476 10 0 CEAERO CCCN1CCO[C@@H](C[NH3+])[C@@H]1c1sccc1C ZINC000070288253 519861206 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CEAERO CC[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000055027691 519972953 /nfs/dbraw/zinc/97/29/53/519972953.db2.gz UXLGHPYSTFOBHO-JTQLQIEISA-N 1 0 262.122 2.231 10 0 CEAERO CC[NH2+]C[C@H]1CC[C@@H](CN(C)Cc2csc(C)n2)O1 ZINC000052505953 519977562 /nfs/dbraw/zinc/97/75/62/519977562.db2.gz DXOKFDFBHQAHKG-KGLIPLIRSA-N 1 0 283.441 2.040 10 0 CEAERO CCC[NH2+][C@@H](C)[C@H](C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000061687205 519986364 /nfs/dbraw/zinc/98/63/64/519986364.db2.gz BXQBOMNBRWNNBP-XQQFMLRXSA-N 1 0 261.431 2.081 10 0 CEAERO CCC[NH2+][C@@H](C)c1cccc(NC(=O)N2CC[C@H](O)C2)c1 ZINC000061713710 519988446 /nfs/dbraw/zinc/98/84/46/519988446.db2.gz RIVGGCIAKVXTGW-WFASDCNBSA-N 1 0 291.395 2.346 10 0 CEAERO CCC[NH2+][C@@H](C)c1cccc(NC(=O)N2CC[C@@H](O)C2)c1 ZINC000061713712 519988497 /nfs/dbraw/zinc/98/84/97/519988497.db2.gz RIVGGCIAKVXTGW-SWLSCSKDSA-N 1 0 291.395 2.346 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccc(OC[C@@H](O)COC)c(OC)c1 ZINC000069053538 519989430 /nfs/dbraw/zinc/98/94/30/519989430.db2.gz DOPHUVIJHVGYRV-JSGCOSHPSA-N 1 0 297.395 2.142 10 0 CEAERO CCC[NH2+][C@@H](CC[N@@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000062460992 519997941 /nfs/dbraw/zinc/99/79/41/519997941.db2.gz CTLAMELLDMYVPN-LSDHHAIUSA-N 1 0 282.428 2.484 10 0 CEAERO CCC[NH2+][C@@H](CN(C)CCc1ccccn1)C1CC1 ZINC000069073779 520008121 /nfs/dbraw/zinc/00/81/21/520008121.db2.gz WRUVTMAQYXQFKB-INIZCTEOSA-N 1 0 261.413 2.334 10 0 CEAERO CCC[NH2+][C@@H](CN1C(=O)c2ccccc2C1=O)C1CC1 ZINC000069076652 520009696 /nfs/dbraw/zinc/00/96/96/520009696.db2.gz HSDYBOLZZGHJDV-AWEZNQCLSA-N 1 0 272.348 2.061 10 0 CEAERO CC[NH2+]Cc1cnc(N(C)CC(F)(F)F)s1 ZINC000054905046 520014997 /nfs/dbraw/zinc/01/49/97/520014997.db2.gz IUDXKBKILIICCS-UHFFFAOYSA-N 1 0 253.293 2.251 10 0 CEAERO CCC[NH2+][C@@H](c1ccc(OC)cc1)[C@H](C)S(C)(=O)=O ZINC000054930580 520017900 /nfs/dbraw/zinc/01/79/00/520017900.db2.gz OOLUSAVTZAZKCV-SMDDNHRTSA-N 1 0 285.409 2.169 10 0 CEAERO CCOCCO[C@@H](C[NH2+]C)c1ccc(OC)cc1 ZINC000050489231 520018538 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CC[NH2+][C@H]1CCOC[C@@H]1Oc1cc(F)cc(F)c1 ZINC000054932616 520218224 /nfs/dbraw/zinc/21/82/24/520218224.db2.gz QJFVVESEDKEOFH-STQMWFEESA-N 1 0 257.280 2.111 10 0 CEAERO CC[NH2+][C@H]1COc2cc(OC[C@@H]3CCCO3)ccc21 ZINC000062804720 520221271 /nfs/dbraw/zinc/22/12/71/520221271.db2.gz IMWGLHAULYAXCZ-JSGCOSHPSA-N 1 0 263.337 2.287 10 0 CEAERO CCN[C@](C)(C[C@H](C)[N@H+](C)[C@@H](C)C1CC1)C(=O)OCC ZINC000068625516 520238004 /nfs/dbraw/zinc/23/80/04/520238004.db2.gz QQTGPDMVKUSPLP-HEHGZKQESA-N 1 0 284.444 2.427 10 0 CEAERO CC[NH2+][C@](CSc1ccccc1OC)(C(N)=O)C1CC1 ZINC000069188803 520252829 /nfs/dbraw/zinc/25/28/29/520252829.db2.gz QOEYDSHWCWOSEX-HNNXBMFYSA-N 1 0 294.420 2.031 10 0 CEAERO CC[NH2+][C@](CSc1ccc(C)cc1)(C(N)=O)C1CC1 ZINC000069186121 520252988 /nfs/dbraw/zinc/25/29/88/520252988.db2.gz UAASUCUEGCIVNF-HNNXBMFYSA-N 1 0 278.421 2.331 10 0 CEAERO CCCCC[C@@H](C[NH2+]C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000052951548 520291605 /nfs/dbraw/zinc/29/16/05/520291605.db2.gz SMWVUVRYNPGTOA-QWHCGFSZSA-N 1 0 273.442 2.370 10 0 CEAERO CCNc1nc2ccccc2cc1C[N@@H+]1CC[C@H](O)C1 ZINC000061711583 520359722 /nfs/dbraw/zinc/35/97/22/520359722.db2.gz RWJIXZLXLUJLPR-AWEZNQCLSA-N 1 0 271.364 2.233 10 0 CEAERO CCCOc1ccc(C[NH2+]CC)c(O[C@H](CC)C(N)=O)c1 ZINC000061675897 520367237 /nfs/dbraw/zinc/36/72/37/520367237.db2.gz LVYJNBCMFMOHFB-CQSZACIVSA-N 1 0 294.395 2.228 10 0 CEAERO CC[N@H+](CC(C)C)C[C@@](NC1CC1)(C(=O)OC)C1CC1 ZINC000069096780 520413525 /nfs/dbraw/zinc/41/35/25/520413525.db2.gz OQJBOBRABKPRJQ-INIZCTEOSA-N 1 0 282.428 2.038 10 0 CEAERO CCCOc1cccc(C(=O)N(C)[C@H]2CCC[NH2+]C2)c1 ZINC000061667411 520438302 /nfs/dbraw/zinc/43/83/02/520438302.db2.gz CSFPJPCPAQTWOB-AWEZNQCLSA-N 1 0 276.380 2.299 10 0 CEAERO CC1(C)COCCN1[C@@H](C[NH3+])c1ccc2ncccc2c1 ZINC000069502609 520507360 /nfs/dbraw/zinc/50/73/60/520507360.db2.gz KCRRPPZBQAODIV-INIZCTEOSA-N 1 0 285.391 2.345 10 0 CEAERO CCO[C@H](C[NH3+])CCOc1ccc(C)cc1OC ZINC000062741597 520517834 /nfs/dbraw/zinc/51/78/34/520517834.db2.gz HEHICHPQXKVIKM-LBPRGKRZSA-N 1 0 253.342 2.136 10 0 CEAERO CCO[C@H]1CCCN(c2ncc([C@@H](C)[NH2+]C)s2)C1 ZINC000054909593 520529288 /nfs/dbraw/zinc/52/92/88/520529288.db2.gz SWYFJZQDKITLJA-MNOVXSKESA-N 1 0 269.414 2.429 10 0 CEAERO CCN(CC)C(=O)c1cc(OCCC[NH2+]C(C)C)ccn1 ZINC000051872043 520544987 /nfs/dbraw/zinc/54/49/87/520544987.db2.gz ZNEDROAAXUBTIY-UHFFFAOYSA-N 1 0 293.411 2.331 10 0 CEAERO CCOC(=O)CC(=O)C[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000068813743 520590062 /nfs/dbraw/zinc/59/00/62/520590062.db2.gz CECVXZWEVTXCDK-OCCSQVGLSA-N 1 0 267.369 2.163 10 0 CEAERO CC[NH+](CC)CCCNC(=O)c1cc(C)ccc1N ZINC000053000470 520618658 /nfs/dbraw/zinc/61/86/58/520618658.db2.gz FFQIUQINHMFKQH-UHFFFAOYSA-N 1 0 263.385 2.039 10 0 CEAERO CC[NH+](CC)CCCNc1nccn(CC(C)C)c1=O ZINC000061762256 520625232 /nfs/dbraw/zinc/62/52/32/520625232.db2.gz MVWVCPSWQAWCHF-UHFFFAOYSA-N 1 0 280.416 2.043 10 0 CEAERO CCC[C@@H](C)C[C@@H](C[NH2+]CC)[C@@H]1CCS(=O)(=O)C1 ZINC000052950577 520636444 /nfs/dbraw/zinc/63/64/44/520636444.db2.gz DFEWZGIUGJRIDI-MCIONIFRSA-N 1 0 275.458 2.473 10 0 CEAERO CC[NH+](CC)CCN[C@]1(C(=O)OC)CC[C@H](C)C[C@@H]1C ZINC000068631284 520689692 /nfs/dbraw/zinc/68/96/92/520689692.db2.gz YCXAKOBQOKOBHJ-OFQRWUPVSA-N 1 0 284.444 2.286 10 0 CEAERO CC[NH+](CC)C[C@@H](C)NCc1ccccc1C(=O)OC ZINC000045692457 520719490 /nfs/dbraw/zinc/71/94/90/520719490.db2.gz GZGVNCIEAYTSRG-CYBMUJFWSA-N 1 0 278.396 2.293 10 0 CEAERO CC[NH+](CC)C[C@@H](O)CN[C@H](C)c1ccc(C)cc1 ZINC000049556613 520722681 /nfs/dbraw/zinc/72/26/81/520722681.db2.gz KKAVVAVQPPQTQH-ZBFHGGJFSA-N 1 0 264.413 2.348 10 0 CEAERO CCOc1cc(NC(=O)C(C)(C)[NH2+]C)ccc1OC ZINC000061316425 520751995 /nfs/dbraw/zinc/75/19/95/520751995.db2.gz DWGUDQMXFFOILN-UHFFFAOYSA-N 1 0 266.341 2.030 10 0 CEAERO CC1(c2nc3cc(Br)cnc3[nH]2)CC[NH2+]CC1 ZINC000062842336 520786933 /nfs/dbraw/zinc/78/69/33/520786933.db2.gz KACQEKSWZMPQKP-UHFFFAOYSA-N 1 0 295.184 2.362 10 0 CEAERO CCCCOCCn1nc(C)c(C[NH2+]CCOC)c1C ZINC000054717722 520795867 /nfs/dbraw/zinc/79/58/67/520795867.db2.gz 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/nfs/dbraw/zinc/92/56/08/520925608.db2.gz JEIDCEKKDNEYDZ-SNVBAGLBSA-N 1 0 250.390 2.263 10 0 CEAERO CCC[C@@]1(C(=O)Nc2c(C)n[nH]c2C)CCC[NH2+]C1 ZINC000062853931 520944017 /nfs/dbraw/zinc/94/40/17/520944017.db2.gz MPMTUDXICYIVRV-CQSZACIVSA-N 1 0 264.373 2.135 10 0 CEAERO CCN(CC1CC1)c1nc2sccn2c1C[NH3+] ZINC000069238776 520970340 /nfs/dbraw/zinc/97/03/40/520970340.db2.gz IBENIMZMVNGAJI-UHFFFAOYSA-N 1 0 250.371 2.091 10 0 CEAERO CCC[C@H](C)C[C@@H](C[NH2+]C)[C@@H]1CCS(=O)(=O)C1 ZINC000052949993 521025613 /nfs/dbraw/zinc/02/56/13/521025613.db2.gz HMFMBXJATULHSV-XQQFMLRXSA-N 1 0 261.431 2.083 10 0 CEAERO CCOC(=O)[C@@H](CC[N@H+](CC)CC(C)C)NC1CC1 ZINC000062445109 521058313 /nfs/dbraw/zinc/05/83/13/521058313.db2.gz WVJQFBGHDXHOOJ-CQSZACIVSA-N 1 0 270.417 2.038 10 0 CEAERO CCN(CCOC)[C@@H](C[NH3+])c1cccc2cccnc21 ZINC000069502636 521138136 /nfs/dbraw/zinc/13/81/36/521138136.db2.gz JCMFORAMAABNJF-HNNXBMFYSA-N 1 0 273.380 2.203 10 0 CEAERO CCOC(=O)[C@@](C[N@H+](CC)C1CC1)(NC(C)C)C1CC1 ZINC000069098000 521167788 /nfs/dbraw/zinc/16/77/88/521167788.db2.gz YPVBJHXKQMPYHW-INIZCTEOSA-N 1 0 282.428 2.181 10 0 CEAERO CCC[C@H](N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)C(=O)OCC ZINC000151842205 521173310 /nfs/dbraw/zinc/17/33/10/521173310.db2.gz MLVGEXWOZRTNAV-MELADBBJSA-N 1 0 270.417 2.037 10 0 CEAERO CCOc1ccc([C@@H]2[C@H](C[NH2+]C)OCCN2C(C)C)cc1 ZINC000070288902 521247602 /nfs/dbraw/zinc/24/76/02/521247602.db2.gz ZSIBXGJDEXZYPO-DLBZAZTESA-N 1 0 292.423 2.455 10 0 CEAERO CCOC(=O)[C@H](c1cc(C)sc1C)N1CCC[NH2+]CC1 ZINC000049687754 521274838 /nfs/dbraw/zinc/27/48/38/521274838.db2.gz ZTOXAQZOPXVYBO-AWEZNQCLSA-N 1 0 296.436 2.264 10 0 CEAERO CCN(Cc1ccc(F)c(F)c1)C(=O)CC[C@H](C)[NH3+] ZINC000070316787 521314301 /nfs/dbraw/zinc/31/43/01/521314301.db2.gz KOVFKQPRXRFXNA-JTQLQIEISA-N 1 0 270.323 2.441 10 0 CEAERO CCOC(=O)[C@](C)([NH3+])CCn1cc(-c2ccccc2)cn1 ZINC000054961947 521326374 /nfs/dbraw/zinc/32/63/74/521326374.db2.gz BNLVCTGHPJGCLI-MRXNPFEDSA-N 1 0 287.363 2.221 10 0 CEAERO CCOC(=O)[C@](C)(N)C[C@@H](C)[NH+](CC1CC1)CC1CC1 ZINC000068647948 521326952 /nfs/dbraw/zinc/32/69/52/521326952.db2.gz MHPCKNDRUVTDBV-MLGOLLRUSA-N 1 0 282.428 2.168 10 0 CEAERO CCOc1cccc(C[NH3+])c1OCc1nccn1CC ZINC000054743465 521332252 /nfs/dbraw/zinc/33/22/52/521332252.db2.gz PMBIFHBEXMRUCX-UHFFFAOYSA-N 1 0 275.352 2.339 10 0 CEAERO CCOC(=O)[C@](C[N@H+](C)C1CCCC1)(NC1CC1)C1CC1 ZINC000069097410 521336480 /nfs/dbraw/zinc/33/64/80/521336480.db2.gz ZNGLLNNYWVLZCD-QGZVFWFLSA-N 1 0 294.439 2.325 10 0 CEAERO CCOC(=O)[C@](C[N@H+](C)C1CCC(C)CC1)(NC)C1CC1 ZINC000069146450 521336872 /nfs/dbraw/zinc/33/68/72/521336872.db2.gz CAKXMVOUVLHAIH-PUJMQQBBSA-N 1 0 296.455 2.428 10 0 CEAERO CCOC(=O)[C@](C[N@H+](C)[C@@H]1CCCC[C@@H]1C)(NC)C1CC1 ZINC000069132415 521339352 /nfs/dbraw/zinc/33/93/52/521339352.db2.gz WIQRXAUNWFGEJK-YSVLISHTSA-N 1 0 296.455 2.428 10 0 CEAERO CCOC(=O)[C@](C[NH+]1CCCCCC1)(NC1CC1)C1CC1 ZINC000069095120 521339530 /nfs/dbraw/zinc/33/95/30/521339530.db2.gz YFTSPKSKOAVCGN-QGZVFWFLSA-N 1 0 294.439 2.326 10 0 CEAERO CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@H](C)C[NH3+] ZINC000054344523 521392576 /nfs/dbraw/zinc/39/25/76/521392576.db2.gz JCIVMWFHYADPPP-SSDOTTSWSA-N 1 0 284.381 2.075 10 0 CEAERO CCCc1ccc([C@H]([NH3+])Cn2nc(C)ccc2=O)cc1 ZINC000061810416 521419451 /nfs/dbraw/zinc/41/94/51/521419451.db2.gz WQLCATVHVCLYQJ-OAHLLOKOSA-N 1 0 271.364 2.204 10 0 CEAERO CCN(Cc1[nH+]c(NN)ccc1Cl)CC(C)C ZINC000061639064 521452725 /nfs/dbraw/zinc/45/27/25/521452725.db2.gz VCYPNBLKOJHAKP-UHFFFAOYSA-N 1 0 256.781 2.499 10 0 CEAERO CCCN(C)c1ccc(F)cc1C[NH2+]CCOC ZINC000062735302 521520702 /nfs/dbraw/zinc/52/07/02/521520702.db2.gz GTUQUELIARTUCG-UHFFFAOYSA-N 1 0 254.349 2.408 10 0 CEAERO CC[NH+]1CCC(CNC(=O)c2ccc3c[nH]nc3c2)CC1 ZINC000061670702 521551875 /nfs/dbraw/zinc/55/18/75/521551875.db2.gz BXNPKVRZBKQSHQ-UHFFFAOYSA-N 1 0 286.379 2.025 10 0 CEAERO CCC(CC)N(CCOC)c1ccnc(C(N)=[NH2+])c1 ZINC000061814292 521561196 /nfs/dbraw/zinc/56/11/96/521561196.db2.gz OVPMDCMHCZTREN-UHFFFAOYSA-N 1 0 264.373 2.007 10 0 CEAERO CCOc1ccccc1OCC[NH2+][C@@H](C)COC ZINC000053565006 521563462 /nfs/dbraw/zinc/56/34/62/521563462.db2.gz VXFGRHFATJXEAV-LBPRGKRZSA-N 1 0 253.342 2.089 10 0 CEAERO CCCC1N=NC(=S)N1CC[NH+]1CCCCC1 ZINC000049575332 521568350 /nfs/dbraw/zinc/56/83/50/521568350.db2.gz BOVAZKUFNBZIPC-UHFFFAOYSA-N 1 0 254.403 2.005 10 0 CEAERO CCCC1N=NC(=S)N1[C@@H]1CCC[N@H+](CC)C1 ZINC000049219361 521569347 /nfs/dbraw/zinc/56/93/47/521569347.db2.gz PWOUCVIJLYGRMK-SNVBAGLBSA-N 1 0 254.403 2.176 10 0 CEAERO CCC(CC)NC(=O)[C@@H](C)[NH2+]C[C@@H](C)CSC ZINC000069448197 521586795 /nfs/dbraw/zinc/58/67/95/521586795.db2.gz KZSZSPZXQADBED-GHMZBOCLSA-N 1 0 260.447 2.268 10 0 CEAERO CCCn1c(=O)[nH]nc1Sc1ccccc1[C@H](C)[NH2+]C ZINC000061595921 521615565 /nfs/dbraw/zinc/61/55/65/521615565.db2.gz OCIJWYOSTXRYJS-JTQLQIEISA-N 1 0 292.408 2.413 10 0 CEAERO CCOc1ncccc1NC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000061611731 521624536 /nfs/dbraw/zinc/62/45/36/521624536.db2.gz NKFYCFIUDHVDJD-ZDUSSCGKSA-N 1 0 285.347 2.161 10 0 CEAERO CCCN(Cc1cc[nH+]c(NN)c1)CC(F)(F)F ZINC000052718985 521690702 /nfs/dbraw/zinc/69/07/02/521690702.db2.gz FYODADQKOARSMC-UHFFFAOYSA-N 1 0 262.279 2.142 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]C)[C@@H]1c1cc(C)sc1C ZINC000070287985 521706800 /nfs/dbraw/zinc/70/68/00/521706800.db2.gz YOVRZZBOPWJVIF-KBPBESRZSA-N 1 0 268.426 2.346 10 0 CEAERO CCNC(=O)CCOc1ccc2ccccc2c1C[NH2+]C ZINC000051757334 521736022 /nfs/dbraw/zinc/73/60/22/521736022.db2.gz RCPVPDNBJALDRK-UHFFFAOYSA-N 1 0 286.375 2.464 10 0 CEAERO CNC(=O)[C@H]1CCCN1c1ccccc1C[NH2+]C(C)(C)C ZINC000062737514 521755133 /nfs/dbraw/zinc/75/51/33/521755133.db2.gz NJEMUWOCJKUOHK-OAHLLOKOSA-N 1 0 289.423 2.290 10 0 CEAERO CC[C@H](C)OCCCC[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000045545400 521755122 /nfs/dbraw/zinc/75/51/22/521755122.db2.gz FKDVUHSBVOWBLT-GXTWGEPZSA-N 1 0 258.406 2.214 10 0 CEAERO CCc1cccc(NS(=O)(=O)CCC[NH2+]C(C)C)c1 ZINC000049642030 521773720 /nfs/dbraw/zinc/77/37/20/521773720.db2.gz AYXPKLXFSDHFCK-UHFFFAOYSA-N 1 0 284.425 2.379 10 0 CEAERO CNC(=O)c1ccc(C[NH2+][C@@]2(CO)CCC[C@@H](C)C2)cc1 ZINC000053117336 521820099 /nfs/dbraw/zinc/82/00/99/521820099.db2.gz FHSXSJCJPBMTTF-DYVFJYSZSA-N 1 0 290.407 2.077 10 0 CEAERO CN(C)C[C@@H]1CCC[N@@H+]1CCCOc1ccccc1N ZINC000061641794 521839307 /nfs/dbraw/zinc/83/93/07/521839307.db2.gz ZTMHWQVVUWXPIZ-AWEZNQCLSA-N 1 0 277.412 2.064 10 0 CEAERO CCc1ccccc1C[C@H](C[NH3+])C(=O)N(CC)CC ZINC000052200818 521844422 /nfs/dbraw/zinc/84/44/22/521844422.db2.gz IDYDURLVIFCFQX-OAHLLOKOSA-N 1 0 262.397 2.235 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1CCC(=O)c1ccccc1F ZINC000061653400 521866783 /nfs/dbraw/zinc/86/67/83/521866783.db2.gz KGCYHPKVWSOXKR-CYBMUJFWSA-N 1 0 278.371 2.425 10 0 CEAERO C[NH2+]C(C)(C)C(=O)Nc1cc(Cl)ccc1N(C)C ZINC000061316283 521941148 /nfs/dbraw/zinc/94/11/48/521941148.db2.gz DGGLXBMTKJKGHP-UHFFFAOYSA-N 1 0 269.776 2.343 10 0 CEAERO COCC[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000052792006 521942683 /nfs/dbraw/zinc/94/26/83/521942683.db2.gz HRIAFONVFXNPLV-BBRMVZONSA-N 1 0 292.423 2.426 10 0 CEAERO COCC[C@H]([NH3+])C(=O)Nc1cc(Cl)cc2cccnc21 ZINC000052791833 521944599 /nfs/dbraw/zinc/94/45/99/521944599.db2.gz RWLVYNQEUCCLJS-NSHDSACASA-N 1 0 293.754 2.191 10 0 CEAERO COCC[C@H]([NH3+])C(=O)Nc1ccc2sccc2c1 ZINC000052792131 521949305 /nfs/dbraw/zinc/94/93/05/521949305.db2.gz XSZUBWHNONHQSY-NSHDSACASA-N 1 0 264.350 2.204 10 0 CEAERO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccccc1[C@@H](C)O ZINC000049547182 521957847 /nfs/dbraw/zinc/95/78/47/521957847.db2.gz BIXKEZSHUJBKNF-CWSCBRNRSA-N 1 0 250.342 2.052 10 0 CEAERO C[NH2+]CCCc1nnc(-c2ccc(OC)c(F)c2)o1 ZINC000061669694 522000017 /nfs/dbraw/zinc/00/00/17/522000017.db2.gz MJLREEGAWNWRIS-UHFFFAOYSA-N 1 0 265.288 2.036 10 0 CEAERO C[NH2+]CCCc1c(C)nc(-c2ccccn2)nc1C ZINC000054837395 522001185 /nfs/dbraw/zinc/00/11/85/522001185.db2.gz FBSOYZZHBSMTET-UHFFFAOYSA-N 1 0 256.353 2.307 10 0 CEAERO C[NH2+]CC[C@@H]1CCCCN1C(=O)c1cccc(F)c1 ZINC000070191743 522016755 /nfs/dbraw/zinc/01/67/55/522016755.db2.gz CAFDPZRIXIKBEQ-AWEZNQCLSA-N 1 0 264.344 2.430 10 0 CEAERO C[NH2+]CC[C@@H](C)n1nc(C)c(Br)c1C ZINC000052573609 522017274 /nfs/dbraw/zinc/01/72/74/522017274.db2.gz LQEMIJLPVXWMRJ-SSDOTTSWSA-N 1 0 260.179 2.433 10 0 CEAERO C[NH2+]CC[C@@H]1CCCCN1Cc1nnc(C(C)(C)C)o1 ZINC000070193471 522018654 /nfs/dbraw/zinc/01/86/54/522018654.db2.gz PHKBHJHVIIBQGM-LBPRGKRZSA-N 1 0 280.416 2.331 10 0 CEAERO CC[C@@H](C)C[C@@H](C[NH2+]C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000052951751 522020975 /nfs/dbraw/zinc/02/09/75/522020975.db2.gz CXCIQQPZZWWDNV-UPJWGTAASA-N 1 0 273.442 2.226 10 0 CEAERO C[NH2+]CCc1noc(-c2ccccc2Br)n1 ZINC000051850658 522022388 /nfs/dbraw/zinc/02/23/88/522022388.db2.gz KAHDWYSKPDGFMP-UHFFFAOYSA-N 1 0 282.141 2.261 10 0 CEAERO C[NH2+]C[C@@H](Cc1cnn(C)c1)Cc1ccccc1F ZINC000052979082 522033769 /nfs/dbraw/zinc/03/37/69/522033769.db2.gz SLXUIPGBFZNIAK-LBPRGKRZSA-N 1 0 261.344 2.180 10 0 CEAERO C[NH2+]Cc1c(-n2ncc3ccccc32)nc2ccccn21 ZINC000050526873 522099146 /nfs/dbraw/zinc/09/91/46/522099146.db2.gz NZQDULMBNFBNQJ-UHFFFAOYSA-N 1 0 277.331 2.393 10 0 CEAERO C[NH2+]C[C@H]1OCCN(C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000070289312 522099183 /nfs/dbraw/zinc/09/91/83/522099183.db2.gz KKERQODXICCQNO-HUUCEWRRSA-N 1 0 282.334 2.089 10 0 CEAERO C[NH2+]Cc1cc(C)nc(Cc2ccccc2OC)n1 ZINC000054830947 522103466 /nfs/dbraw/zinc/10/34/66/522103466.db2.gz MAJVBMZINQOTIY-UHFFFAOYSA-N 1 0 257.337 2.104 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(C(=O)CNc2ccccc2)CC1 ZINC000055078351 522110231 /nfs/dbraw/zinc/11/02/31/522110231.db2.gz NCJGJMPALPTHRN-CQSZACIVSA-N 1 0 275.396 2.041 10 0 CEAERO C[NH2+]Cc1ccc(COCC(F)(F)C(F)F)o1 ZINC000052628660 522116091 /nfs/dbraw/zinc/11/60/91/522116091.db2.gz GAOPNSCSTKEPOQ-UHFFFAOYSA-N 1 0 255.211 2.416 10 0 CEAERO C[NH2+]Cc1cccc(Oc2ccccc2C(N)=O)c1 ZINC000069328743 522134236 /nfs/dbraw/zinc/13/42/36/522134236.db2.gz MHAHINFLPCWHMM-UHFFFAOYSA-N 1 0 256.305 2.297 10 0 CEAERO C[NH2+]Cc1oc2ccccc2c1CN1CCOC[C@H]1C ZINC000052475836 522161291 /nfs/dbraw/zinc/16/12/91/522161291.db2.gz YQFXZPGBARHREJ-GFCCVEGCSA-N 1 0 274.364 2.373 10 0 CEAERO CN(C)c1ccc([C@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000054686150 522250279 /nfs/dbraw/zinc/25/02/79/522250279.db2.gz UMFYRMFMVXVBJI-IRXDYDNUSA-N 1 0 270.376 2.356 10 0 CEAERO CN(C)c1cccc(OCc2cccnc2C(N)=[NH2+])c1 ZINC000061658831 522282739 /nfs/dbraw/zinc/28/27/39/522282739.db2.gz XWGDTBUUQDGCMT-UHFFFAOYSA-N 1 0 270.336 2.011 10 0 CEAERO C[NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000052395841 522321229 /nfs/dbraw/zinc/32/12/29/522321229.db2.gz UVVHLXZQUQXDDK-RYUDHWBXSA-N 1 0 260.381 2.351 10 0 CEAERO C[NH2+][C@@H](C)c1cc(Cl)ccc1OC[C@H](O)COC ZINC000069053756 522328701 /nfs/dbraw/zinc/32/87/01/522328701.db2.gz JMWZKWAOXVFPLT-GXSJLCMTSA-N 1 0 273.760 2.007 10 0 CEAERO CC[C@H]([NH3+])Cc1c(C)nn(Cc2ccncc2)c1C ZINC000062803311 522333803 /nfs/dbraw/zinc/33/38/03/522333803.db2.gz QISRIHHKYHICQI-AWEZNQCLSA-N 1 0 258.369 2.223 10 0 CEAERO CC[C@H]([NH3+])Cc1cccc(OCc2ncccn2)c1 ZINC000054461806 522334934 /nfs/dbraw/zinc/33/49/34/522334934.db2.gz CCDRBNCKHHEXOQ-ZDUSSCGKSA-N 1 0 257.337 2.335 10 0 CEAERO C[NH2+][C@@H](C)c1nnc(-c2cncc(Br)c2)o1 ZINC000050618406 522339419 /nfs/dbraw/zinc/33/94/19/522339419.db2.gz YERBLHHYZBZLEE-LURJTMIESA-N 1 0 283.129 2.175 10 0 CEAERO C[NH2+][C@@H](C)c1sc(N2CCOC(C)(C)C2)nc1C ZINC000054904485 522343022 /nfs/dbraw/zinc/34/30/22/522343022.db2.gz VVNYRPZOMGGMGJ-VIFPVBQESA-N 1 0 269.414 2.347 10 0 CEAERO C[NH2+][C@@H](Cc1cnn(C)c1)Cc1cccc(Cl)c1 ZINC000050542570 522363157 /nfs/dbraw/zinc/36/31/57/522363157.db2.gz IKZHFGGHZMAGHP-CQSZACIVSA-N 1 0 263.772 2.447 10 0 CEAERO C[NH2+][C@@H]1CCCCC[C@@H]1S(=O)(=O)c1ccccc1 ZINC000061702750 522377590 /nfs/dbraw/zinc/37/75/90/522377590.db2.gz HMPZYOYAJSINGA-KGLIPLIRSA-N 1 0 267.394 2.381 10 0 CEAERO CCc1nc(N(C)C2CCOCC2)sc1C[NH2+]C ZINC000054997878 522378880 /nfs/dbraw/zinc/37/88/80/522378880.db2.gz BCUNHNZPBAVOGG-UHFFFAOYSA-N 1 0 269.414 2.040 10 0 CEAERO CCc1nc(N2CCO[C@H](C)C2)sc1C[NH2+]C1CC1 ZINC000054995748 522388239 /nfs/dbraw/zinc/38/82/39/522388239.db2.gz YIOJVOUGMZNYQQ-SNVBAGLBSA-N 1 0 281.425 2.183 10 0 CEAERO CCc1nc(N2CCO[C@@H]3CCCC[C@@H]32)sc1C[NH3+] ZINC000055001797 522388476 /nfs/dbraw/zinc/38/84/76/522388476.db2.gz QTRHVCHKRJBITR-NWDGAFQWSA-N 1 0 281.425 2.312 10 0 CEAERO C[NH2+][C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1=O ZINC000061626965 522394649 /nfs/dbraw/zinc/39/46/49/522394649.db2.gz QDCLMDJQKLDACH-LLVKDONJSA-N 1 0 272.270 2.026 10 0 CEAERO C[NH2+][C@@H]1CCc2c1cccc2OCc1nc(C)no1 ZINC000062799049 522397660 /nfs/dbraw/zinc/39/76/60/522397660.db2.gz DMRCBMDBRHDTSO-GFCCVEGCSA-N 1 0 259.309 2.164 10 0 CEAERO C[NH2+][C@@](CSc1ccc(Cl)cc1)(C(N)=O)C1CC1 ZINC000069185408 522432386 /nfs/dbraw/zinc/43/23/86/522432386.db2.gz UHNRIKJUFKLSFZ-CYBMUJFWSA-N 1 0 284.812 2.286 10 0 CEAERO COc1cc(C[NH2+]C(C)(C)C)ccc1OC[C@@H](C)C(N)=O ZINC000062731782 522439435 /nfs/dbraw/zinc/43/94/35/522439435.db2.gz QOALZPACNKKZEC-LLVKDONJSA-N 1 0 294.395 2.084 10 0 CEAERO C[NH2+][C@H](C)c1ccc(OC[C@@H](O)C(F)(F)F)c(OC)c1 ZINC000068876406 522449159 /nfs/dbraw/zinc/44/91/59/522449159.db2.gz XBIUCCMHORISNV-PRHODGIISA-N 1 0 293.285 2.278 10 0 CEAERO C[NH2+][C@H](C)c1ccc(OCCCO)c(Br)c1 ZINC000061699346 522449770 /nfs/dbraw/zinc/44/97/70/522449770.db2.gz DHWKQCSXPXCFRY-SECBINFHSA-N 1 0 288.185 2.491 10 0 CEAERO C[NH2+][C@H](CCOc1ccc(C)cc1C(C)(C)C)C(N)=O ZINC000062547348 522461963 /nfs/dbraw/zinc/46/19/63/522461963.db2.gz VORNRPAYQKISHC-CYBMUJFWSA-N 1 0 278.396 2.135 10 0 CEAERO C[NH2+][C@H](Cn1nc(C)ccc1=O)c1c(C)cc(C)cc1C ZINC000061810241 522475233 /nfs/dbraw/zinc/47/52/33/522475233.db2.gz AFERNLCCWCKAFH-OAHLLOKOSA-N 1 0 285.391 2.438 10 0 CEAERO C[NH2+][C@H](c1ccoc1)c1ccc2c(c1)CCC(=O)N2C ZINC000062806505 522486072 /nfs/dbraw/zinc/48/60/72/522486072.db2.gz MKTWVIIYAZNISH-INIZCTEOSA-N 1 0 270.332 2.497 10 0 CEAERO C[NH2+][C@H]1CC(C)(C)Cc2nc(N3CCN(C)CC3)sc21 ZINC000054900287 522486970 /nfs/dbraw/zinc/48/69/70/522486970.db2.gz YNZHXINDUAFXPE-NSHDSACASA-N 1 0 294.468 2.128 10 0 CEAERO C[NH2+][C@H]1CCc2c1cccc2O[C@@H](C)C(=O)NCC(C)C ZINC000062799265 522505563 /nfs/dbraw/zinc/50/55/63/522505563.db2.gz FCDZGKBZTUULKN-WFASDCNBSA-N 1 0 290.407 2.433 10 0 CEAERO C[NH2+][C@](C)(CCCC[N@@H+]1CCCC(C)(C)C1)C(=O)[O-] ZINC000069516897 522514816 /nfs/dbraw/zinc/51/48/16/522514816.db2.gz BPCFVEVKNKJZGJ-OAHLLOKOSA-N 1 0 270.417 2.341 10 0 CEAERO CN[C@](C)(C[C@@H](C)[NH+](CC1CC1)CC1CC1)C(=O)OC ZINC000068647969 522520571 /nfs/dbraw/zinc/52/05/71/522520571.db2.gz HLJNZPOARYKQAK-MLGOLLRUSA-N 1 0 282.428 2.038 10 0 CEAERO CN[C@](C)(C[C@H](C)[N@H+](C)CC1CCCCC1)C(=O)OC ZINC000068638387 522522286 /nfs/dbraw/zinc/52/22/86/522522286.db2.gz OUFWPFJHCBTTQC-XJKSGUPXSA-N 1 0 284.444 2.428 10 0 CEAERO C[NH2+][C@](C)(C[C@H](C)[N@@H+]1CC[C@H](c2ccccc2)C1)C(=O)[O-] ZINC000068641735 522522695 /nfs/dbraw/zinc/52/26/95/522522695.db2.gz RHISECNTFSPNPC-JLJPHGGASA-N 1 0 290.407 2.317 10 0 CEAERO CC[C@@H](C[NH2+]CCOC)Cc1ccccc1OC ZINC000054663631 522547664 /nfs/dbraw/zinc/54/76/64/522547664.db2.gz KCGMLKNNQFUCSX-CYBMUJFWSA-N 1 0 251.370 2.500 10 0 CEAERO CC[C@H]([NH2+]C)[C@H](C)Oc1cc(OC)cc(OC)c1 ZINC000068967417 522556455 /nfs/dbraw/zinc/55/64/55/522556455.db2.gz OBCDZWZLPOXIPB-HZMBPMFUSA-N 1 0 253.342 2.469 10 0 CEAERO COC[C@H](C)N(C)[C@@H](C[NH3+])c1ccc(F)c(C)c1 ZINC000050546394 522595374 /nfs/dbraw/zinc/59/53/74/522595374.db2.gz CFTCNJXFWBZDTP-FZMZJTMJSA-N 1 0 254.349 2.101 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc(C)nc(Cc2ccncc2)n1 ZINC000054835589 522643434 /nfs/dbraw/zinc/64/34/34/522643434.db2.gz WTNXSVVDHNEVBC-CYBMUJFWSA-N 1 0 256.353 2.051 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cnn(C)c1)n1nc(C)c(Cl)c1C ZINC000050585983 522655370 /nfs/dbraw/zinc/65/53/70/522655370.db2.gz HNNYGHXNEPLJDG-YPMHNXCESA-N 1 0 281.791 2.214 10 0 CEAERO CC[C@H](NS(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1)C(C)C ZINC000049147328 522682449 /nfs/dbraw/zinc/68/24/49/522682449.db2.gz WARLIJRAHMUTLZ-RISCZKNCSA-N 1 0 284.425 2.419 10 0 CEAERO Clc1ccccc1OCCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178626085 534652376 /nfs/dbraw/zinc/65/23/76/534652376.db2.gz YIJMKNYLTKJPTE-CYBMUJFWSA-N 1 0 280.799 2.499 10 0 CEAERO COC[C@H](O)C[N@H+](C)CCCOc1cc(C)ccc1C ZINC000050118588 522783719 /nfs/dbraw/zinc/78/37/19/522783719.db2.gz HXIUKKQTZOLDLL-OAHLLOKOSA-N 1 0 281.396 2.011 10 0 CEAERO COc1cc(OC)c([C@@H](O)C[NH2+]C(C)(C)C)cc1OC ZINC000055029630 522829393 /nfs/dbraw/zinc/82/93/93/522829393.db2.gz XUKZYEFEGWSKIZ-NSHDSACASA-N 1 0 283.368 2.134 10 0 CEAERO CC[C@@H]([NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)C(C)C ZINC000049129693 522850921 /nfs/dbraw/zinc/85/09/21/522850921.db2.gz RFNZOAPJTDAYLZ-HUUCEWRRSA-N 1 0 299.436 2.148 10 0 CEAERO CN(CC[NH2+]C1CCCCC1)CCc1ccccn1 ZINC000053341658 522865094 /nfs/dbraw/zinc/86/50/94/522865094.db2.gz AUIRUPSCJJDLOG-UHFFFAOYSA-N 1 0 261.413 2.478 10 0 CEAERO COc1cc(OC)cc([C@H](O)[C@H]([NH3+])c2ccccc2)c1 ZINC000054681814 522883050 /nfs/dbraw/zinc/88/30/50/522883050.db2.gz AVBZXLDRMBRELQ-CVEARBPZSA-N 1 0 273.332 2.437 10 0 CEAERO COCC1CC[NH+](C[C@H]2CCCCC[C@H]2O)CC1 ZINC000070082566 522936378 /nfs/dbraw/zinc/93/63/78/522936378.db2.gz AZRMVJXJAFGNAI-HUUCEWRRSA-N 1 0 255.402 2.286 10 0 CEAERO CC[C@H](c1nc(C2CC2)cs1)N1CC[NH2+]CC1 ZINC000069086544 522978549 /nfs/dbraw/zinc/97/85/49/522978549.db2.gz MPONXWNVAZXJST-GFCCVEGCSA-N 1 0 251.399 2.377 10 0 CEAERO CC[C@H]1CCCC[N@@H+]1Cc1cccnc1C(N)=S ZINC000061659698 523028547 /nfs/dbraw/zinc/02/85/47/523028547.db2.gz ZKAFTNDNYWFUEK-LBPRGKRZSA-N 1 0 263.410 2.480 10 0 CEAERO CC[C@@H](Oc1ccccc1C[NH2+]C(C)(C)C)C(N)=O ZINC000062729324 523060637 /nfs/dbraw/zinc/06/06/37/523060637.db2.gz YXEFZXNCIKMGCD-GFCCVEGCSA-N 1 0 264.369 2.217 10 0 CEAERO CN(C[C@@]1(C[NH2+]C2CC2)CCOC1)c1ccccc1F ZINC000051253609 523086958 /nfs/dbraw/zinc/08/69/58/523086958.db2.gz LHEUEDXFIGZLPO-INIZCTEOSA-N 1 0 278.371 2.421 10 0 CEAERO CN(C[C@H]1CCCO1)c1cc(Cl)ccc1C[NH3+] ZINC000062786904 523127548 /nfs/dbraw/zinc/12/75/48/523127548.db2.gz UJPHMKPXWKTHFW-GFCCVEGCSA-N 1 0 254.761 2.414 10 0 CEAERO COc1ccc(-c2nc(C)cc(C[C@H](C)[NH3+])n2)cc1OC ZINC000054835492 523197265 /nfs/dbraw/zinc/19/72/65/523197265.db2.gz DXELRVITEGJRRY-JTQLQIEISA-N 1 0 287.363 2.359 10 0 CEAERO COC(=O)COc1c(C[NH2+]C(C)(C)C)cccc1OC ZINC000062732234 523215249 /nfs/dbraw/zinc/21/52/49/523215249.db2.gz TWDKIUMSXVXNAR-UHFFFAOYSA-N 1 0 281.352 2.135 10 0 CEAERO COc1ccc(-c2ncc(C[NH2+]C3CC3)cn2)cc1OC ZINC000054856191 523236878 /nfs/dbraw/zinc/23/68/78/523236878.db2.gz KPSSGOURYWVHIS-UHFFFAOYSA-N 1 0 285.347 2.413 10 0 CEAERO CCn1c(S[C@@H](c2cccc(C)c2)[C@@H](C)[NH3+])n[nH]c1=O ZINC000061594232 523244474 /nfs/dbraw/zinc/24/44/74/523244474.db2.gz APPUSFAOCABXJP-ZYHUDNBSSA-N 1 0 292.408 2.080 10 0 CEAERO CCn1c(S[C@@H](c2ccccc2C)[C@H](C)[NH3+])n[nH]c1=O ZINC000061594268 523245022 /nfs/dbraw/zinc/24/50/22/523245022.db2.gz YLDVBGGHNUTGHM-CMPLNLGQSA-N 1 0 292.408 2.080 10 0 CEAERO CC[C@H]1CN(c2cc(Cl)ccc2C[NH3+])CCO1 ZINC000062786806 523305705 /nfs/dbraw/zinc/30/57/05/523305705.db2.gz NKDDTSIIJVNHRE-LBPRGKRZSA-N 1 0 254.761 2.414 10 0 CEAERO CC[C@H]1CN(c2nc(C)c([C@@H](C)[NH3+])s2)CCO1 ZINC000054895617 523308314 /nfs/dbraw/zinc/30/83/14/523308314.db2.gz IBBQXXUDZCHBTL-SCZZXKLOSA-N 1 0 255.387 2.086 10 0 CEAERO COCCC[NH2+]C[C@H](C)Oc1ccccc1OC ZINC000053566996 523373514 /nfs/dbraw/zinc/37/35/14/523373514.db2.gz UDYNHZZPQYZFMV-LBPRGKRZSA-N 1 0 253.342 2.089 10 0 CEAERO CCn1cc([C@@H]([NH3+])c2nccc3ccccc32)cn1 ZINC000069313906 523463362 /nfs/dbraw/zinc/46/33/62/523463362.db2.gz PJXVDBBFYKWMCU-CQSZACIVSA-N 1 0 252.321 2.499 10 0 CEAERO CC[C@@H]1CN(c2ccc(Cl)cc2C[NH3+])CCO1 ZINC000052856758 523470684 /nfs/dbraw/zinc/47/06/84/523470684.db2.gz PNTPHWTWTZXZTN-GFCCVEGCSA-N 1 0 254.761 2.414 10 0 CEAERO CC[C@](C)([NH3+])c1noc(-c2ccc3c(c2)CCO3)n1 ZINC000050892672 523475993 /nfs/dbraw/zinc/47/59/93/523475993.db2.gz YLZVJRZQUCPGQO-AWEZNQCLSA-N 1 0 259.309 2.255 10 0 CEAERO COC(=O)[C@@H](C(C)C)n1c(N)[nH+]c2ccc(F)c(F)c21 ZINC000053170237 523483098 /nfs/dbraw/zinc/48/30/98/523483098.db2.gz ILZVJXYYFQQXQO-SNVBAGLBSA-N 1 0 283.278 2.267 10 0 CEAERO CC[C@@H]1CO[C@H](C)CN1c1nc(C)c([C@@H](C)[NH3+])s1 ZINC000054898135 523520526 /nfs/dbraw/zinc/52/05/26/523520526.db2.gz NLWYECRMOWJASB-FXPVBKGRSA-N 1 0 269.414 2.475 10 0 CEAERO CN(Cc1csc(C[NH3+])n1)c1ccc(F)cc1 ZINC000052540508 523524372 /nfs/dbraw/zinc/52/43/72/523524372.db2.gz FWCBDEHVDJGIRR-UHFFFAOYSA-N 1 0 251.330 2.377 10 0 CEAERO CC[C@]1(C(=O)N(C)c2cccc(OC)c2)CCC[NH2+]C1 ZINC000062860612 523533620 /nfs/dbraw/zinc/53/36/20/523533620.db2.gz LRGAUADYJBNWBY-INIZCTEOSA-N 1 0 276.380 2.438 10 0 CEAERO CC[C@]1(C(=O)N[C@H]2C[C@@H]2c2ccccc2)CCC[NH2+]C1 ZINC000062860364 523544019 /nfs/dbraw/zinc/54/40/19/523544019.db2.gz VNAACACTSFQMAX-VYDXJSESSA-N 1 0 272.392 2.439 10 0 CEAERO COC(=O)[C@@H](CC[N@H+](C)CC1CCCCC1)NC1CC1 ZINC000062526763 523571334 /nfs/dbraw/zinc/57/13/34/523571334.db2.gz QHAHSPWUAZFLAC-OAHLLOKOSA-N 1 0 282.428 2.182 10 0 CEAERO COC(=O)[C@@H](CC[NH+]1CCC(C)(C)CC1)NC(C)C ZINC000062533103 523572542 /nfs/dbraw/zinc/57/25/42/523572542.db2.gz ZMOWMZVOWICVLZ-CYBMUJFWSA-N 1 0 270.417 2.038 10 0 CEAERO COC(=O)[C@@H](CC[N@H+](C)C1CCCCCC1)NC1CC1 ZINC000062451352 523572803 /nfs/dbraw/zinc/57/28/03/523572803.db2.gz LFIQSRAWMWTXJP-OAHLLOKOSA-N 1 0 282.428 2.325 10 0 CEAERO CCn1cnnc1C1CC[NH+]([C@@H](C)c2cnccn2)CC1 ZINC000184533550 523584839 /nfs/dbraw/zinc/58/48/39/523584839.db2.gz VOOXBKHXNQMMSM-LBPRGKRZSA-N 1 0 286.383 2.029 10 0 CEAERO C[N@H+]([C@@H](CN)c1ccc2ncccc2c1)C1CCOCC1 ZINC000069502528 523624564 /nfs/dbraw/zinc/62/45/64/523624564.db2.gz SJSCZSJGZIDTNU-KRWDZBQOSA-N 1 0 285.391 2.345 10 0 CEAERO COc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000063189499 523629697 /nfs/dbraw/zinc/62/96/97/523629697.db2.gz JZZYWZAHZLFQPK-HZPDHXFCSA-N 1 0 288.391 2.442 10 0 CEAERO COCCN(C)c1nc2c(s1)[C@H]([NH3+])CC(C)(C)C2 ZINC000054898335 523640062 /nfs/dbraw/zinc/64/00/62/523640062.db2.gz CLOZAPYYBAYRFH-SECBINFHSA-N 1 0 269.414 2.198 10 0 CEAERO CN(c1nc(C(C)(C)C)c(CO)s1)C1CC[NH+](C)CC1 ZINC000055002646 523660499 /nfs/dbraw/zinc/66/04/99/523660499.db2.gz RBWFDLFLBUNHGU-UHFFFAOYSA-N 1 0 297.468 2.463 10 0 CEAERO CC[C@@]([NH3+])(CCCS(C)(=O)=O)c1ccccc1 ZINC000063016374 523685316 /nfs/dbraw/zinc/68/53/16/523685316.db2.gz YCOASZXUZSIPKX-CYBMUJFWSA-N 1 0 255.383 2.075 10 0 CEAERO CC[C@@]1(C)CN(Cc2ncc(C)c(OC)c2C)CC[NH2+]1 ZINC000068693134 523716601 /nfs/dbraw/zinc/71/66/01/523716601.db2.gz KMICLNLOLSEFCH-INIZCTEOSA-N 1 0 277.412 2.281 10 0 CEAERO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000067173421 523758530 /nfs/dbraw/zinc/75/85/30/523758530.db2.gz PQDOMCAJXCXMHX-UONOGXRCSA-N 1 0 261.365 2.460 10 0 CEAERO C[NH+]1CCC(CNc2cccc(-n3cnnc3)c2)CC1 ZINC000054241390 523764795 /nfs/dbraw/zinc/76/47/95/523764795.db2.gz XIICVFFYJZCHLC-UHFFFAOYSA-N 1 0 271.368 2.021 10 0 CEAERO COC(=O)[C@@](C)(C[C@H](C)[N@@H+]1CCCC1(C)C)NC1CC1 ZINC000068646347 523816520 /nfs/dbraw/zinc/81/65/20/523816520.db2.gz WAOKTOFVPYNDML-BLLLJJGKSA-N 1 0 282.428 2.323 10 0 CEAERO C[N@@H+]1CCC[C@@H](Nc2ccc(C(N)=S)cc2Cl)C1 ZINC000062795376 523817738 /nfs/dbraw/zinc/81/77/38/523817738.db2.gz VBKZMOQVNNWPSF-SNVBAGLBSA-N 1 0 283.828 2.480 10 0 CEAERO CN(C(=O)C[NH2+]Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000061626739 523826913 /nfs/dbraw/zinc/82/69/13/523826913.db2.gz LGIVJMXVKGWRNI-UHFFFAOYSA-N 1 0 286.297 2.416 10 0 CEAERO CC[C@H](C)C[NH2+]Cc1sc(N(C)C)nc1OC ZINC000054468121 523884606 /nfs/dbraw/zinc/88/46/06/523884606.db2.gz FRNHZVDPSNMTNV-VIFPVBQESA-N 1 0 257.403 2.353 10 0 CEAERO CN1CCN(c2nc(-c3ccccc3)c(C[NH3+])s2)CC1 ZINC000054995385 523927796 /nfs/dbraw/zinc/92/77/96/523927796.db2.gz DHCAEBVIYIWXCO-UHFFFAOYSA-N 1 0 288.420 2.021 10 0 CEAERO COCC[NH2+]CCCCOc1c(OC)cc(C)cc1OC ZINC000053587812 523935747 /nfs/dbraw/zinc/93/57/47/523935747.db2.gz VMHGGTPKVVZEQF-UHFFFAOYSA-N 1 0 297.395 2.407 10 0 CEAERO COCC[NH2+]CCc1ccccc1OC(F)(F)F ZINC000055231369 523938812 /nfs/dbraw/zinc/93/88/12/523938812.db2.gz LHJFNGMBZRBEBX-UHFFFAOYSA-N 1 0 263.259 2.364 10 0 CEAERO COCC[NH2+]C[C@@H](C)N(C)[C@@H](C)c1ccccc1F ZINC000062020974 523940390 /nfs/dbraw/zinc/94/03/90/523940390.db2.gz HXGLWAZBFISKIM-OLZOCXBDSA-N 1 0 268.376 2.443 10 0 CEAERO COCC[NH2+]C[C@@H]1C[C@@H]1c1c(OC)cc(OC)cc1OC ZINC000054598733 523941465 /nfs/dbraw/zinc/94/14/65/523941465.db2.gz PCWLOMIKMZRSFF-AAEUAGOBSA-N 1 0 295.379 2.052 10 0 CEAERO COCC[NH2+]C[C@@]1(Cc2cc(F)ccc2F)CCOC1 ZINC000054666556 523942218 /nfs/dbraw/zinc/94/22/18/523942218.db2.gz MLFPXHGQIWKEBG-HNNXBMFYSA-N 1 0 285.334 2.150 10 0 CEAERO COCC[NH2+]C[C@H]1C[C@@H]1c1cccc(OC)c1OC ZINC000054598618 523944273 /nfs/dbraw/zinc/94/42/73/523944273.db2.gz RUQJQBIGWYPRJV-YPMHNXCESA-N 1 0 265.353 2.043 10 0 CEAERO COCC[NH2+]Cc1c(C)nn(C)c1N(C)[C@@H](C)CC(C)C ZINC000062737747 523947621 /nfs/dbraw/zinc/94/76/21/523947621.db2.gz FWNAORJAIROIQY-ZDUSSCGKSA-N 1 0 296.459 2.335 10 0 CEAERO COCC[NH2+]Cc1cc(C)nc(CC(C)(C)C)n1 ZINC000068849228 523948946 /nfs/dbraw/zinc/94/89/46/523948946.db2.gz PAXRKOCFFYMCOZ-UHFFFAOYSA-N 1 0 251.374 2.110 10 0 CEAERO COCC[NH2+]Cc1sc(N(C)CC(C)C)nc1C ZINC000054996649 523958059 /nfs/dbraw/zinc/95/80/59/523958059.db2.gz PMRWVNBYOXFNMU-UHFFFAOYSA-N 1 0 271.430 2.280 10 0 CEAERO COCC[NH2+]Cc1nc2c([nH]1)CC[C@H](C(C)(C)C)C2 ZINC000069236722 523957115 /nfs/dbraw/zinc/95/71/15/523957115.db2.gz SWGOYCWBSONBEB-NSHDSACASA-N 1 0 265.401 2.297 10 0 CEAERO COCC[NH2+][C@](C)(CO)c1ccc(Cl)c(Cl)c1 ZINC000053292586 523962020 /nfs/dbraw/zinc/96/20/20/523962020.db2.gz KFPZLQJYCRBMTR-GFCCVEGCSA-N 1 0 278.179 2.437 10 0 CEAERO CC[C@H](C)NC(=O)CC[NH2+][C@H](C)Cc1ccco1 ZINC000062771890 523968208 /nfs/dbraw/zinc/96/82/08/523968208.db2.gz YAOWNOKTWZSDHW-NWDGAFQWSA-N 1 0 252.358 2.105 10 0 CEAERO C[N@@H+]1CC[C@@H](Nc2ccc(C(N)=S)cc2Cl)C1 ZINC000062795482 523968688 /nfs/dbraw/zinc/96/86/88/523968688.db2.gz NCVYXZRBTCOASM-SECBINFHSA-N 1 0 269.801 2.090 10 0 CEAERO CC[C@H](C)NC(=O)C[C@@H](C[NH3+])c1ccccc1F ZINC000057539076 523975726 /nfs/dbraw/zinc/97/57/26/523975726.db2.gz ZOOAZVANRBIZIS-QWRGUYRKSA-N 1 0 252.333 2.173 10 0 CEAERO COc1ccc(CC[C@@](C)(O)C[NH2+]C(C)C)cc1 ZINC000055028916 523982201 /nfs/dbraw/zinc/98/22/01/523982201.db2.gz YTTXEJGXXYQMFX-OAHLLOKOSA-N 1 0 251.370 2.377 10 0 CEAERO COC(=O)[C@](C)(C[C@@H](C)[N@H+](C)CC(C)(C)C)NC1CC1 ZINC000068636200 524000312 /nfs/dbraw/zinc/00/03/12/524000312.db2.gz NIQRVTFXOBTSRI-WBMJQRKESA-N 1 0 284.444 2.427 10 0 CEAERO CC[C@H](C)[NH2+][C@@]1(C(N)=O)CCCc2sccc21 ZINC000061329949 524005907 /nfs/dbraw/zinc/00/59/07/524005907.db2.gz ODGDOADINUSIFM-ZANVPECISA-N 1 0 252.383 2.153 10 0 CEAERO COC(=O)[C@](N)(C[N@@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC000069517155 524006117 /nfs/dbraw/zinc/00/61/17/524006117.db2.gz IIGWEOVQVLXNGZ-KRWDZBQOSA-N 1 0 290.407 2.136 10 0 CEAERO CC[C@H](C)[NH2+][C@H](C(N)=O)c1cccc2cccnc21 ZINC000069503192 524006311 /nfs/dbraw/zinc/00/63/11/524006311.db2.gz PSQJQSCWTLLARY-HZMBPMFUSA-N 1 0 257.337 2.149 10 0 CEAERO CCc1ccc(OCC[C@@](C)([NH2+]C2CC2)C(N)=O)cc1 ZINC000045513393 524007372 /nfs/dbraw/zinc/00/73/72/524007372.db2.gz GGJLFHZYNJZADT-MRXNPFEDSA-N 1 0 276.380 2.014 10 0 CEAERO CCc1ccc(S(=O)(=O)N[C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000063213417 524015209 /nfs/dbraw/zinc/01/52/09/524015209.db2.gz RSFFDJWOIPFCEW-HUUCEWRRSA-N 1 0 296.436 2.187 10 0 CEAERO COc1ccc(CN2CC[NH2+][C@](C)(C3CC3)C2)cc1F ZINC000068694172 524034952 /nfs/dbraw/zinc/03/49/52/524034952.db2.gz GBVAGNHESJJLKO-INIZCTEOSA-N 1 0 278.371 2.408 10 0 CEAERO COc1ccc(CN2CC[C@@H](C)[C@@H]([NH3+])C2)cc1F ZINC000070147130 524036735 /nfs/dbraw/zinc/03/67/35/524036735.db2.gz FDQJNHCMXZADII-MFKMUULPSA-N 1 0 252.333 2.003 10 0 CEAERO CCc1ccc([C@H](C)NC(=O)[C@@H](C)C2C[NH2+]C2)cc1 ZINC000163964971 524044496 /nfs/dbraw/zinc/04/44/96/524044496.db2.gz KVIHHIUSQFUYPX-RYUDHWBXSA-N 1 0 260.381 2.282 10 0 CEAERO C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(C(=O)[O-])cc1 ZINC000050920299 524045951 /nfs/dbraw/zinc/04/59/51/524045951.db2.gz WJFVAJXCRGHKPJ-UHFFFAOYSA-N 1 0 264.369 2.062 10 0 CEAERO Cc1cc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)no1 ZINC000052555203 524124175 /nfs/dbraw/zinc/12/41/75/524124175.db2.gz IKFNZMRCEWGJJK-AWEZNQCLSA-N 1 0 273.336 2.016 10 0 CEAERO C[C@H]1CCC[C@@H](C[NH3+])N1C(=O)Cc1ccsc1 ZINC000070152183 524133122 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C[C@H]1CCN(CC(=O)Nc2ccc(Cl)cc2F)C[C@@H]1[NH3+] ZINC000070146915 524282681 /nfs/dbraw/zinc/28/26/81/524282681.db2.gz PVSAGOPUODYXEP-CABZTGNLSA-N 1 0 299.777 2.087 10 0 CEAERO C[C@H](C[NH3+])C(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000054337389 524305928 /nfs/dbraw/zinc/30/59/28/524305928.db2.gz LHGKIQAWZNOFPY-ZCFIWIBFSA-N 1 0 269.757 2.483 10 0 CEAERO C[C@H](C[NH+]1CCCC1)NC(=O)c1cc2cc(N)ccc2o1 ZINC000049149182 524313720 /nfs/dbraw/zinc/31/37/20/524313720.db2.gz WEMQILWSWGQAQG-LLVKDONJSA-N 1 0 287.363 2.229 10 0 CEAERO Cc1cccc(CC(=O)N2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000052136923 524338455 /nfs/dbraw/zinc/33/84/55/524338455.db2.gz OUFMMNJGVNPVNW-HZPDHXFCSA-N 1 0 272.392 2.281 10 0 CEAERO C[C@H]1CC[C@@H](C(=O)[O-])[C@H]([NH+]2CCC(C[NH+](C)C)CC2)C1 ZINC000062754215 524342641 /nfs/dbraw/zinc/34/26/41/524342641.db2.gz MCZZGIUQIIMLPJ-NWANDNLSSA-N 1 0 282.428 2.149 10 0 CEAERO C[C@H](CN1CCOCC1)n1c(N)[nH+]c2cc(Cl)ccc21 ZINC000049510206 524360795 /nfs/dbraw/zinc/36/07/95/524360795.db2.gz CABDVZMPNNBUNK-SNVBAGLBSA-N 1 0 294.786 2.165 10 0 CEAERO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccnc(C(N)=S)c1 ZINC000068751809 524362192 /nfs/dbraw/zinc/36/21/92/524362192.db2.gz DLEFGKRTPPAXCX-PHIMTYICSA-N 1 0 263.410 2.479 10 0 CEAERO C[C@H](C[NH2+]C(C)(C)C)CN1CCN(c2nccs2)CC1 ZINC000052417647 524476702 /nfs/dbraw/zinc/47/67/02/524476702.db2.gz ZZTNXIVFOOYZPA-CYBMUJFWSA-N 1 0 296.484 2.289 10 0 CEAERO C[C@@H](CC[NH3+])N(C)C(=O)c1nccc2ccccc21 ZINC000063085965 524480491 /nfs/dbraw/zinc/48/04/91/524480491.db2.gz WKGQVCQTDRFQPU-NSHDSACASA-N 1 0 257.337 2.044 10 0 CEAERO C[C@@H](CC[NH2+]C1CC1)N1CCN(c2ccccc2)CC1 ZINC000052417353 524498650 /nfs/dbraw/zinc/49/86/50/524498650.db2.gz UTRREPGEJGRCFL-HNNXBMFYSA-N 1 0 273.424 2.339 10 0 CEAERO C[C@H](CNc1ccc(C(N)=S)cc1Cl)[NH+](C)C ZINC000062795994 524505563 /nfs/dbraw/zinc/50/55/63/524505563.db2.gz INZKGJURSNQALA-MRVPVSSYSA-N 1 0 271.817 2.336 10 0 CEAERO COc1ccccc1C[C@H]([NH2+]CC(C)(C)C(N)=O)C(C)C ZINC000183206998 524512761 /nfs/dbraw/zinc/51/27/61/524512761.db2.gz PSHQIXFUBWGQAS-AWEZNQCLSA-N 1 0 292.423 2.363 10 0 CEAERO Cc1cccc(N)c1C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000049550952 524527558 /nfs/dbraw/zinc/52/75/58/524527558.db2.gz MWGRZPWLGJBIND-ZDUSSCGKSA-N 1 0 277.412 2.283 10 0 CEAERO C[C@@H]1CC[C@@H](C(=O)[O-])[C@H]([NH+]2CCC(C[NH+](C)C)CC2)C1 ZINC000062754214 524565984 /nfs/dbraw/zinc/56/59/84/524565984.db2.gz MCZZGIUQIIMLPJ-BPLDGKMQSA-N 1 0 282.428 2.149 10 0 CEAERO C[C@@H](CN(C)Cc1ccn(C2CCCCC2)n1)C(N)=[NH2+] ZINC000069995235 524578515 /nfs/dbraw/zinc/57/85/15/524578515.db2.gz CVGADHRURVUKRB-LBPRGKRZSA-N 1 0 277.416 2.392 10 0 CEAERO C[C@@H](C[NH3+])c1noc(Cc2cccc(Cl)c2)n1 ZINC000054158523 524588481 /nfs/dbraw/zinc/58/84/81/524588481.db2.gz JQASTSIRAZGXCV-QMMMGPOBSA-N 1 0 251.717 2.376 10 0 CEAERO C[C@@H]1CC[C@@H](C[NH3+])CN1C(=O)Cc1c[nH]c2ccccc12 ZINC000070179962 524589009 /nfs/dbraw/zinc/58/90/09/524589009.db2.gz YZXPBEPMUGJQAE-OLZOCXBDSA-N 1 0 285.391 2.296 10 0 CEAERO C[C@H](COc1ccc(C[NH2+]C(C)(C)C)cc1)C(N)=O ZINC000062728757 524589831 /nfs/dbraw/zinc/58/98/31/524589831.db2.gz LQPAYBPTUXNNSQ-LLVKDONJSA-N 1 0 264.369 2.075 10 0 CEAERO C[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc(N)cc1Cl ZINC000049149113 524591009 /nfs/dbraw/zinc/59/10/09/524591009.db2.gz NSJHGEPWSGBZRV-JTQLQIEISA-N 1 0 281.787 2.136 10 0 CEAERO C[C@@H](CN1CCCC1)[NH2+][C@@H](C)C(=O)Nc1ccccc1 ZINC000049180484 524593279 /nfs/dbraw/zinc/59/32/79/524593279.db2.gz BGFWAGGRYGTDNR-KBPBESRZSA-N 1 0 275.396 2.088 10 0 CEAERO C[C@@H](C[NH+]1CCCC1)n1c(N)cc2ccccc2c1=O ZINC000049185794 524595072 /nfs/dbraw/zinc/59/50/72/524595072.db2.gz VCPHYDJCTPHTJK-LBPRGKRZSA-N 1 0 271.364 2.241 10 0 CEAERO C[C@@H](CN1CCCCC1)[NH2+]C[C@H](O)c1cccs1 ZINC000049501237 524607553 /nfs/dbraw/zinc/60/75/53/524607553.db2.gz NAPWEDRDPRYGCA-STQMWFEESA-N 1 0 268.426 2.246 10 0 CEAERO Cc1cc(CN2CCN(c3ccccc3)CC2)oc1C[NH3+] ZINC000052417316 524700577 /nfs/dbraw/zinc/70/05/77/524700577.db2.gz QLWYWKKXGVMNAO-UHFFFAOYSA-N 1 0 285.391 2.369 10 0 CEAERO C[C@H](Cc1ccco1)NC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000052881880 524744245 /nfs/dbraw/zinc/74/42/45/524744245.db2.gz PEFCCAWJSPLNAT-MLGOLLRUSA-N 1 0 272.348 2.201 10 0 CEAERO Cc1cc(CO)ccc1N1CC[NH+](C(C)(C)C)CC1 ZINC000050561023 524793968 /nfs/dbraw/zinc/79/39/68/524793968.db2.gz XFNYFWAUSFEFQU-UHFFFAOYSA-N 1 0 262.397 2.408 10 0 CEAERO C[C@H]([NH3+])[C@](O)(c1ccc(F)cc1F)C(F)(F)F ZINC000062784607 524863370 /nfs/dbraw/zinc/86/33/70/524863370.db2.gz LQQWFUMLTZZKFW-CDUCUWFYSA-N 1 0 255.186 2.062 10 0 CEAERO Cc1ccc(N(C)S(=O)(=O)CCC[NH2+]C(C)C)cc1 ZINC000050010213 524888132 /nfs/dbraw/zinc/88/81/32/524888132.db2.gz URMMSJNAYKZACT-UHFFFAOYSA-N 1 0 284.425 2.149 10 0 CEAERO COc1ccc(OC)c([C@@](C)(O)C[NH2+]CC(C)C)c1 ZINC000055033536 524902185 /nfs/dbraw/zinc/90/21/85/524902185.db2.gz ZKYVIYLUFGTDIA-HNNXBMFYSA-N 1 0 267.369 2.157 10 0 CEAERO C[C@H](NC(=O)CC[C@@H]1CCCC[NH2+]1)c1cccnc1 ZINC000050942058 524936500 /nfs/dbraw/zinc/93/65/00/524936500.db2.gz YBLYYMRMULTZTH-JSGCOSHPSA-N 1 0 261.369 2.181 10 0 CEAERO C[C@@H]1C[N@H+](CCCn2ccnc2)C2(CCCCC2)CN1 ZINC000068698785 524951227 /nfs/dbraw/zinc/95/12/27/524951227.db2.gz PPIZCZIMGJZRCN-OAHLLOKOSA-N 1 0 276.428 2.270 10 0 CEAERO C[C@@H]1CN(Cc2cc(Cl)cc3c2OCOC3)C[C@H](C)[NH2+]1 ZINC000070077810 524984957 /nfs/dbraw/zinc/98/49/57/524984957.db2.gz FLOAPJSDWKMMJX-PHIMTYICSA-N 1 0 296.798 2.389 10 0 CEAERO C[C@@H]([NH3+])Cc1nc(-c2ccc(F)cc2Cl)no1 ZINC000061845092 525000635 /nfs/dbraw/zinc/00/06/35/525000635.db2.gz BNUPMIJZLJSJRJ-ZCFIWIBFSA-N 1 0 255.680 2.419 10 0 CEAERO C[C@@H]([NH3+])[C@@H](N(CCO)Cc1ccccc1)C(C)(C)C ZINC000050514061 525003997 /nfs/dbraw/zinc/00/39/97/525003997.db2.gz ICXKGIAZPOIDDM-UKRRQHHQSA-N 1 0 264.413 2.243 10 0 CEAERO Cc1cc(F)ccc1[C@@](O)([C@@H](C)[NH3+])C(F)(F)F ZINC000062784433 525006624 /nfs/dbraw/zinc/00/66/24/525006624.db2.gz AIZFBGOOLKCOIN-XCBNKYQSSA-N 1 0 251.223 2.231 10 0 CEAERO C[C@@H]([NH3+])[C@H](Sc1nnc2ccccn21)c1cccnc1 ZINC000061406459 525016389 /nfs/dbraw/zinc/01/63/89/525016389.db2.gz IMLCWOLTTCPTRQ-MFKMUULPSA-N 1 0 285.376 2.305 10 0 CEAERO Cc1cc(N2CCC[C@@H](C[NH2+]C(C)C)C2)nc(C)n1 ZINC000053701707 525066021 /nfs/dbraw/zinc/06/60/21/525066021.db2.gz RZKVSCMYOSMYCO-AWEZNQCLSA-N 1 0 262.401 2.308 10 0 CEAERO Cc1cc(N2CCC[C@H](C[NH3+])C2)ncc1Br ZINC000163917344 525071951 /nfs/dbraw/zinc/07/19/51/525071951.db2.gz XLUFNTGEAHJCOW-SNVBAGLBSA-N 1 0 284.201 2.328 10 0 CEAERO Cc1ccc(NC(=O)C[C@H]2CCC[NH2+]C2)cc1F ZINC000054290323 525092890 /nfs/dbraw/zinc/09/28/90/525092890.db2.gz YYNCAYGZOFJSKR-LLVKDONJSA-N 1 0 250.317 2.462 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C)N1CCOc1cccc(Cl)c1 ZINC000069134795 525097663 /nfs/dbraw/zinc/09/76/63/525097663.db2.gz NHAPOJIRKHRWEU-VXGBXAGGSA-N 1 0 268.788 2.401 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H](C)N1C(=O)Cc1c(F)cccc1Cl ZINC000069132748 525099256 /nfs/dbraw/zinc/09/92/56/525099256.db2.gz QTTQCFPHALWKJB-AOOOYVTPSA-N 1 0 284.762 2.230 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H](C)N1C(=O)c1ccccc1Cl ZINC000069132837 525101381 /nfs/dbraw/zinc/10/13/81/525101381.db2.gz QERIZNRIJNKLFR-AOOOYVTPSA-N 1 0 252.745 2.162 10 0 CEAERO Cc1ccccc1CCC(=O)N1[C@@H](C)C[NH2+]C[C@@H]1C ZINC000069133452 525102375 /nfs/dbraw/zinc/10/23/75/525102375.db2.gz ZHAJWJAHQGMWRD-KBPBESRZSA-N 1 0 260.381 2.136 10 0 CEAERO COc1ccc([C@@H](C)NC(=O)C2(C)CC[NH2+]CC2)cc1F ZINC000062840239 525132395 /nfs/dbraw/zinc/13/23/95/525132395.db2.gz HTSQCZBGHDOUIR-LLVKDONJSA-N 1 0 294.370 2.401 10 0 CEAERO C[C@]([NH3+])(c1cncnc1)c1ccccc1Br ZINC000052887683 525149737 /nfs/dbraw/zinc/14/97/37/525149737.db2.gz ICTLAJCEIYXAIV-LBPRGKRZSA-N 1 0 278.153 2.461 10 0 CEAERO C[C@H](NC(=O)[C@@](C)([NH3+])c1ccccc1)c1ccco1 ZINC000052881589 525158996 /nfs/dbraw/zinc/15/89/96/525158996.db2.gz KEKNKMXLOLRRFB-NHYWBVRUSA-N 1 0 258.321 2.331 10 0 CEAERO Cc1ccccc1N(C)Cc1cccnc1C(N)=[NH2+] ZINC000061658354 525214822 /nfs/dbraw/zinc/21/48/22/525214822.db2.gz FJYFXVMKZJULCK-UHFFFAOYSA-N 1 0 254.337 2.310 10 0 CEAERO Cc1ccc(NS(=O)(=O)C[C@H]2CCC[NH2+]C2)cc1C ZINC000049641550 525293423 /nfs/dbraw/zinc/29/34/23/525293423.db2.gz RFKOEXYPFKIQCP-ZDUSSCGKSA-N 1 0 282.409 2.045 10 0 CEAERO C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CCCO1 ZINC000155681031 525341716 /nfs/dbraw/zinc/34/17/16/525341716.db2.gz DCVOZIHWHXEPNB-DOMZBBRYSA-N 1 0 276.380 2.046 10 0 CEAERO Cc1ccccc1[C@@H](C)NS(=O)(=O)C[C@@H]1CCCC[NH2+]1 ZINC000049631494 525362712 /nfs/dbraw/zinc/36/27/12/525362712.db2.gz QQVONINEBPFMJN-KGLIPLIRSA-N 1 0 296.436 2.118 10 0 CEAERO C[C@H]([NH2+]CCSc1nnc2ccccn21)C1CC1 ZINC000061408847 525363826 /nfs/dbraw/zinc/36/38/26/525363826.db2.gz YRZRQYSNCRKXJP-JTQLQIEISA-N 1 0 262.382 2.210 10 0 CEAERO COc1ccc([C@H](O)[C@H]([NH3+])c2ccccc2)cc1O ZINC000054682757 525379035 /nfs/dbraw/zinc/37/90/35/525379035.db2.gz DRWPUFZMFQRRSB-CABCVRRESA-N 1 0 259.305 2.134 10 0 CEAERO C[C@H](NC[C@@H](O)C[NH+]1CCCCC1)c1cc(F)ccc1F ZINC000151258496 525381041 /nfs/dbraw/zinc/38/10/41/525381041.db2.gz ZTXDSNKSWCXJCD-GXTWGEPZSA-N 1 0 298.377 2.462 10 0 CEAERO C[C@@H]1C[C@H]([NH3+])CC[C@@H]1C(=O)NCCC1CCCC1 ZINC000055130635 525418058 /nfs/dbraw/zinc/41/80/58/525418058.db2.gz JGMPFVVQMSWVDU-BNOWGMLFSA-N 1 0 252.402 2.446 10 0 CEAERO Cc1ccccc1[C@H]([NH3+])CCN1CCn2ccnc2C1 ZINC000062322296 525424535 /nfs/dbraw/zinc/42/45/35/525424535.db2.gz MEYIFISQPNXTAT-OAHLLOKOSA-N 1 0 270.380 2.097 10 0 CEAERO Cc1ccc(OC[C@H]2CC[C@@H](C[NH2+]C(C)C)O2)cn1 ZINC000052596311 525438023 /nfs/dbraw/zinc/43/80/23/525438023.db2.gz VJFNDKHWIPFRSE-LSDHHAIUSA-N 1 0 264.369 2.314 10 0 CEAERO CSCCC[NH2+]CC(=O)Nc1ccccc1F ZINC000069447061 525477841 /nfs/dbraw/zinc/47/78/41/525477841.db2.gz SZRFJOQYGCOIKZ-UHFFFAOYSA-N 1 0 256.346 2.107 10 0 CEAERO C[C@H]([NH2+]Cc1cncnc1)c1ccc2c(c1)OCCO2 ZINC000054767590 525481664 /nfs/dbraw/zinc/48/16/64/525481664.db2.gz FTDKHUWYPUFMTB-NSHDSACASA-N 1 0 271.320 2.099 10 0 CEAERO CSCC[NH2+]Cc1ccc(I)o1 ZINC000068996314 525510318 /nfs/dbraw/zinc/51/03/18/525510318.db2.gz DDDCWCRRDGNKGL-UHFFFAOYSA-N 1 0 297.161 2.337 10 0 CEAERO CSC[C@@H](C)C[NH2+][C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000069438809 525623228 /nfs/dbraw/zinc/62/32/28/525623228.db2.gz HTPSAEDSJJAVQQ-WCQYABFASA-N 1 0 299.461 2.494 10 0 CEAERO C[C@H]([NH2+][C@H]1CCS(=O)(=O)C1)c1cnc2ccsc2c1 ZINC000068690318 525625661 /nfs/dbraw/zinc/62/56/61/525625661.db2.gz JTGPBSWBFSOFKJ-ONGXEEELSA-N 1 0 296.417 2.134 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCCS(=O)(=O)C1)c1cccc(F)c1 ZINC000069135561 525637470 /nfs/dbraw/zinc/63/74/70/525637470.db2.gz VXZKMNNCIYUQRB-ZWNOBZJWSA-N 1 0 271.357 2.054 10 0 CEAERO C[C@@H]1[C@@H](C)CCCN1S(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000050564989 525642044 /nfs/dbraw/zinc/64/20/44/525642044.db2.gz KTLDGWRADYCRAT-QWHCGFSZSA-N 1 0 296.436 2.096 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCOc2ccccc21)C(=O)N1CCCC1 ZINC000048323149 525648548 /nfs/dbraw/zinc/64/85/48/525648548.db2.gz VVSZYDXLEHNEOC-TZMCWYRMSA-N 1 0 274.364 2.111 10 0 CEAERO CSC[C@H](C)C[NH2+][C@@H](C)C(=O)NC1CCCCC1 ZINC000069447455 525682574 /nfs/dbraw/zinc/68/25/74/525682574.db2.gz IQWPXPQHAXZPPX-NEPJUHHUSA-N 1 0 272.458 2.413 10 0 CEAERO Cc1ccnc(NC[C@@H](C)C[NH3+])c1Br ZINC000235099236 525694246 /nfs/dbraw/zinc/69/42/46/525694246.db2.gz UPZSELSCMZYOPS-ZETCQYMHSA-N 1 0 258.163 2.159 10 0 CEAERO Cc1c(N)cc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1F ZINC000049500488 525818308 /nfs/dbraw/zinc/81/83/08/525818308.db2.gz SRPWJNCGZIATBB-NSHDSACASA-N 1 0 293.386 2.321 10 0 CEAERO COc1cccc(C(=O)NCc2ccc(CC[NH3+])cc2)c1 ZINC000052898915 525821860 /nfs/dbraw/zinc/82/18/60/525821860.db2.gz QHCANEPXDWQYSS-UHFFFAOYSA-N 1 0 284.359 2.126 10 0 CEAERO Cc1ccc(-c2nnc(CCC[NH2+]C(C)C)o2)cn1 ZINC000050617392 525846081 /nfs/dbraw/zinc/84/60/81/525846081.db2.gz JIWDAVHFALXDAN-UHFFFAOYSA-N 1 0 260.341 2.371 10 0 CEAERO C[C@@]1([NH2+][C@H]2CCCc3sccc32)CCS(=O)(=O)C1 ZINC000061326119 525874741 /nfs/dbraw/zinc/87/47/41/525874741.db2.gz PIVHIYDMNQPYEB-WCQYABFASA-N 1 0 285.434 2.292 10 0 CEAERO COc1cccc(CN(C)c2ncccc2C[NH3+])c1 ZINC000048893096 525921718 /nfs/dbraw/zinc/92/17/18/525921718.db2.gz OAOVDRVOCIHCJA-UHFFFAOYSA-N 1 0 257.337 2.185 10 0 CEAERO C[C@H](C(=O)N(C)[C@@H](C)c1ccc(F)cc1)C1C[NH2+]C1 ZINC000164178006 525940654 /nfs/dbraw/zinc/94/06/54/525940654.db2.gz RSZJAFNPNQOIMS-QWRGUYRKSA-N 1 0 264.344 2.201 10 0 CEAERO Cc1ccc([C@H](C[NH3+])Sc2n[nH]c(=O)n2C2CC2)s1 ZINC000061594599 525953815 /nfs/dbraw/zinc/95/38/15/525953815.db2.gz KETZCVLNQPWYDO-JTQLQIEISA-N 1 0 296.421 2.068 10 0 CEAERO Cc1ccc([C@H](O)[C@@H](C)[N@@H+]2CCC[C@@H]2CN(C)C)cc1 ZINC000061652605 525979167 /nfs/dbraw/zinc/97/91/67/525979167.db2.gz HOYXKIRDBRCSNU-DJIMGWMZSA-N 1 0 276.424 2.443 10 0 CEAERO Cc1cc(-n2cc(Br)cn2)ccc1C[NH3+] ZINC000050585217 526072036 /nfs/dbraw/zinc/07/20/36/526072036.db2.gz BNXOFGMHPBYHHK-UHFFFAOYSA-N 1 0 266.142 2.402 10 0 CEAERO Cc1ccc(C(=O)N2CCC[C@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000051358795 526105711 /nfs/dbraw/zinc/10/57/11/526105711.db2.gz CQKZHXDWUDLJTG-RYUDHWBXSA-N 1 0 264.394 2.413 10 0 CEAERO C[C@@H](c1nc2ccccc2n1C)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000070075529 526173294 /nfs/dbraw/zinc/17/32/94/526173294.db2.gz PDPOPQPLADLNMC-XQQFMLRXSA-N 1 0 272.396 2.317 10 0 CEAERO COc1cccc(OC)c1OCc1cc(C[NH3+])co1 ZINC000052650176 526223828 /nfs/dbraw/zinc/22/38/28/526223828.db2.gz RNEBRVZSRFTACC-UHFFFAOYSA-N 1 0 263.293 2.335 10 0 CEAERO COc1cccc(OC)c1O[C@@H](C)C[NH2+]C1CC1 ZINC000052650097 526224440 /nfs/dbraw/zinc/22/44/40/526224440.db2.gz NSIUFBWZOLVJGV-JTQLQIEISA-N 1 0 251.326 2.223 10 0 CEAERO Cc1ccc(C(=O)Nc2ccccc2OCC[NH3+])c(C)n1 ZINC000055329939 526226369 /nfs/dbraw/zinc/22/63/69/526226369.db2.gz ATXDRBNEODPUHG-UHFFFAOYSA-N 1 0 285.347 2.288 10 0 CEAERO Cc1ccc(C(N)=S)c(N2CC[NH+](CC(C)C)CC2)c1 ZINC000055080681 526254914 /nfs/dbraw/zinc/25/49/14/526254914.db2.gz LGPWLZUDCUATRJ-UHFFFAOYSA-N 1 0 291.464 2.407 10 0 CEAERO Cc1ccc2[nH]c(S[C@H](C[NH3+])c3cnn(C)c3)nc2c1 ZINC000061439964 526255902 /nfs/dbraw/zinc/25/59/02/526255902.db2.gz MOVREUGHCJYNBN-CYBMUJFWSA-N 1 0 287.392 2.397 10 0 CEAERO Cc1nn([C@H]2CCC[NH2+]C2)c(C)c1Br ZINC000050593329 526306772 /nfs/dbraw/zinc/30/67/72/526306772.db2.gz ZVIXZWLFUOSBHC-VIFPVBQESA-N 1 0 258.163 2.187 10 0 CEAERO c1cc(C2CC[NH+](CCc3cccnc3)CC2)n[nH]1 ZINC000149084714 526418325 /nfs/dbraw/zinc/41/83/25/526418325.db2.gz LSKYCCJWYARCRI-UHFFFAOYSA-N 1 0 256.353 2.227 10 0 CEAERO c1ccc(C[C@H]2C[NH2+]CCN2Cc2cccnc2)cc1 ZINC000068696752 526477077 /nfs/dbraw/zinc/47/70/77/526477077.db2.gz OZTRINKEWGBNHY-KRWDZBQOSA-N 1 0 267.376 2.098 10 0 CEAERO c1ccc([C@@H]2CN(Cc3cccnc3)CC[NH2+]2)cc1 ZINC000068693510 526493280 /nfs/dbraw/zinc/49/32/80/526493280.db2.gz FEZJMBNAICLMOE-INIZCTEOSA-N 1 0 253.349 2.228 10 0 CEAERO O=C(NC[C@@H]1CCC[NH2+]1)NC12CC3CC(CC(C3)C1)C2 ZINC000053254335 526513399 /nfs/dbraw/zinc/51/33/99/526513399.db2.gz LPFQJEHMZIJKKY-IXUJDMMCSA-N 1 0 277.412 2.006 10 0 CEAERO c1ccc2c(c1)cnnc2N1CCC[C@H]1C[NH2+]C1CC1 ZINC000053694903 526515386 /nfs/dbraw/zinc/51/53/86/526515386.db2.gz UPYMHOQOHOKNFA-AWEZNQCLSA-N 1 0 268.364 2.351 10 0 CEAERO O=C(CC[C@@H]1CCCC[NH2+]1)Nc1ccc2nccnc2c1 ZINC000050945665 526548440 /nfs/dbraw/zinc/54/84/40/526548440.db2.gz RSBXHPLJHDGAFK-LBPRGKRZSA-N 1 0 284.363 2.491 10 0 CEAERO O=C(CC[C@@H]1CCCC[NH2+]1)NC[C@H]1CC=CCC1 ZINC000050951945 526548466 /nfs/dbraw/zinc/54/84/66/526548466.db2.gz XMAFQFHUVQHJBR-KBPBESRZSA-N 1 0 250.386 2.381 10 0 CEAERO c1coc(-c2noc([C@H]3CCCN3C3CC[NH2+]CC3)n2)c1 ZINC000054445306 526564196 /nfs/dbraw/zinc/56/41/96/526564196.db2.gz FFQAYLBMMSSHAW-GFCCVEGCSA-N 1 0 288.351 2.219 10 0 CEAERO O=C(CC[C@H]1CCCC[NH2+]1)NCCc1ccccc1F ZINC000050939620 526564532 /nfs/dbraw/zinc/56/45/32/526564532.db2.gz WZLNVXRVUVLZKX-CQSZACIVSA-N 1 0 278.371 2.407 10 0 CEAERO O=C(CC[C@H]1CCCC[NH2+]1)Nc1ccc2c(c1)CCO2 ZINC000050945155 526565771 /nfs/dbraw/zinc/56/57/71/526565771.db2.gz OEFUUKWAAIHEAW-CYBMUJFWSA-N 1 0 274.364 2.482 10 0 CEAERO c1csc(CNC[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)n1 ZINC000049538976 526581582 /nfs/dbraw/zinc/58/15/82/526581582.db2.gz DYSCUZSGHFZFDY-SRVKXCTJSA-N 1 0 251.399 2.153 10 0 CEAERO Cc1nc(-c2ncccn2)nc(C)c1C[NH2+]C(C)C ZINC000054854319 526624816 /nfs/dbraw/zinc/62/48/16/526624816.db2.gz VRMJKZRSZUIADT-UHFFFAOYSA-N 1 0 257.341 2.048 10 0 CEAERO C[NH2+]C[C@]1(CN2CCCc3ccccc32)CCCOC1 ZINC000111324283 536468905 /nfs/dbraw/zinc/46/89/05/536468905.db2.gz OFPKBRIUYFCBPO-KRWDZBQOSA-N 1 0 274.408 2.455 10 0 CEAERO Cc1oc(C[NH3+])cc1CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000052573147 526770890 /nfs/dbraw/zinc/77/08/90/526770890.db2.gz RIKGMLUKQSUFQN-LSDHHAIUSA-N 1 0 264.369 2.190 10 0 CEAERO Cc1oc(C[NH2+]C(C)(C)C)cc1CN1CCS(=O)CC1 ZINC000052516497 526775375 /nfs/dbraw/zinc/77/53/75/526775375.db2.gz NXECSVTYIZUTBO-UHFFFAOYSA-N 1 0 298.452 2.040 10 0 CEAERO NC(=[NH2+])c1c(Cl)cccc1N1CCC[C@@H]1CCCO ZINC000052906367 526819433 /nfs/dbraw/zinc/81/94/33/526819433.db2.gz LEIXTJLNGPTSOD-SNVBAGLBSA-N 1 0 281.787 2.365 10 0 CEAERO Cc1nc(CNC[C@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cs1 ZINC000049539059 526887204 /nfs/dbraw/zinc/88/72/04/526887204.db2.gz BEUYZHZWYQXNPJ-BZPMIXESSA-N 1 0 265.426 2.462 10 0 CEAERO Cc1nc(CN[C@@H](C[NH+](C)C)c2ccccc2)c[nH]1 ZINC000054798382 526892029 /nfs/dbraw/zinc/89/20/29/526892029.db2.gz SFADNNGFRPVGTC-HNNXBMFYSA-N 1 0 258.369 2.111 10 0 CEAERO Cc1nc(N(C)C)nc(C)c1CC[NH2+]C(C)(C)C ZINC000054853931 526949204 /nfs/dbraw/zinc/94/92/04/526949204.db2.gz YTMUFLAXGUEBJG-UHFFFAOYSA-N 1 0 250.390 2.090 10 0 CEAERO Cc1nc(N2CCC([NH+](C)C)CC2)sc1[C@H](C)O ZINC000054911188 526962892 /nfs/dbraw/zinc/96/28/92/526962892.db2.gz NLCXHKZUHUPTRD-JTQLQIEISA-N 1 0 269.414 2.035 10 0 CEAERO NC(=O)[C@H]([NH2+]C1CCCC1)c1ccc2ncccc2c1 ZINC000069503141 526995595 /nfs/dbraw/zinc/99/55/95/526995595.db2.gz VLDNGMOFGHVZIS-OAHLLOKOSA-N 1 0 269.348 2.293 10 0 CEAERO Clc1nsnc1N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000049571778 527012978 /nfs/dbraw/zinc/01/29/78/527012978.db2.gz SGALQLHKVBBFTE-YUMQZZPRSA-N 1 0 258.778 2.230 10 0 CEAERO Cn1c(Cl)cnc1Cn1ccnc1C[NH2+]C(C)(C)C ZINC000051015538 527070647 /nfs/dbraw/zinc/07/06/47/527070647.db2.gz MWMHZRHMNCOXKL-UHFFFAOYSA-N 1 0 281.791 2.206 10 0 CEAERO O=C(N[C@H]1COc2ccccc21)c1ccc2c(c1)C[NH2+]C2 ZINC000156770804 527076780 /nfs/dbraw/zinc/07/67/80/527076780.db2.gz JAZLCBRNGODYEA-HNNXBMFYSA-N 1 0 280.327 2.153 10 0 CEAERO NC(=S)c1ccc(F)cc1C[N@@H+]1CCC[C@H]1CCCO ZINC000069403175 527119035 /nfs/dbraw/zinc/11/90/35/527119035.db2.gz YIDRVRCYINAROX-ZDUSSCGKSA-N 1 0 296.411 2.197 10 0 CEAERO [NH3+]C1CCC(C(=O)N[C@H]2CCc3ccccc3C2)CC1 ZINC000051632153 527138902 /nfs/dbraw/zinc/13/89/02/527138902.db2.gz JJSJAPGRKNQWEN-BCLQGDPASA-N 1 0 272.392 2.178 10 0 CEAERO [NH3+]CC1(C(=O)NCCC(F)(F)F)CCCCCC1 ZINC000063100405 527161960 /nfs/dbraw/zinc/16/19/60/527161960.db2.gz NHNZGMVBGDUEAP-UHFFFAOYSA-N 1 0 266.307 2.354 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)N1CCC[C@H](C(F)(F)F)C1 ZINC000054307527 527167498 /nfs/dbraw/zinc/16/74/98/527167498.db2.gz AUJPLXGJBJUYNK-MNOVXSKESA-N 1 0 278.318 2.177 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1ccc(-n2cccn2)cc1 ZINC000054306771 527168032 /nfs/dbraw/zinc/16/80/32/527168032.db2.gz DNYSTLOVIZTQOO-CYBMUJFWSA-N 1 0 284.363 2.201 10 0 CEAERO [NH3+]CCCCC(=O)N1CC=C(c2ccccc2)CC1 ZINC000070202463 527171546 /nfs/dbraw/zinc/17/15/46/527171546.db2.gz ZBIOASQDCNPKDX-UHFFFAOYSA-N 1 0 258.365 2.431 10 0 CEAERO [NH3+]CCCN(C(=O)[C@H]1CCCCO1)c1cccc(F)c1 ZINC000050958286 527176843 /nfs/dbraw/zinc/17/68/43/527176843.db2.gz YWDIDPAFQSINRP-CQSZACIVSA-N 1 0 280.343 2.077 10 0 CEAERO [NH3+]CCCN(C(=O)[C@@H]1CCCCO1)c1ccc(F)cc1 ZINC000050958280 527177707 /nfs/dbraw/zinc/17/77/07/527177707.db2.gz WWQSVDSDINFPAY-AWEZNQCLSA-N 1 0 280.343 2.077 10 0 CEAERO O=S(=O)(C[C@@H]1CCCC[NH2+]1)NC1CCCCCCC1 ZINC000049630708 527181917 /nfs/dbraw/zinc/18/19/17/527181917.db2.gz BPXZDBPHGMYFTO-AWEZNQCLSA-N 1 0 288.457 2.161 10 0 CEAERO [NH3+]CCCn1nnnc1C1(c2ccccc2)CCCCC1 ZINC000062783043 527184376 /nfs/dbraw/zinc/18/43/76/527184376.db2.gz ZWTDNEJEJPZSKF-UHFFFAOYSA-N 1 0 285.395 2.272 10 0 CEAERO [NH3+]CCNc1nc2ccc(Br)cc2s1 ZINC000062201961 527189809 /nfs/dbraw/zinc/18/98/09/527189809.db2.gz OKDPITWLNJVSAZ-UHFFFAOYSA-N 1 0 272.171 2.429 10 0 CEAERO NC(=O)c1ccc(N2CCC[C@@H](CC[NH3+])C2)cc1Cl ZINC000070171263 527192479 /nfs/dbraw/zinc/19/24/79/527192479.db2.gz WBGRVBIWVJVKBW-JTQLQIEISA-N 1 0 281.787 2.004 10 0 CEAERO [NH3+]CCc1ccc(CNC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000052899037 527196936 /nfs/dbraw/zinc/19/69/36/527196936.db2.gz GKEJNXKFJKPFNH-XHSDSOJGSA-N 1 0 272.392 2.240 10 0 CEAERO [NH3+]CCc1cnn(Cc2ccc(F)cc2Br)c1 ZINC000054740827 527197420 /nfs/dbraw/zinc/19/74/20/527197420.db2.gz XYTNJNBDKWUWHE-UHFFFAOYSA-N 1 0 298.159 2.334 10 0 CEAERO [NH3+]C[C@@H](CCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000052946541 527201939 /nfs/dbraw/zinc/20/19/39/527201939.db2.gz GNDDLISMXRIXGG-HUUCEWRRSA-N 1 0 281.421 2.019 10 0 CEAERO [NH3+]C[C@H](c1nc(Cc2ccncc2)no1)c1ccccc1 ZINC000061609475 527230788 /nfs/dbraw/zinc/23/07/88/527230788.db2.gz JLZPZFFTVNOBHP-AWEZNQCLSA-N 1 0 280.331 2.146 10 0 CEAERO [NH3+]C[C@]1(Cc2ccc(Br)cc2)CCOC1 ZINC000054637643 527242111 /nfs/dbraw/zinc/24/21/11/527242111.db2.gz GASQHMFQSJVQKX-GFCCVEGCSA-N 1 0 270.170 2.357 10 0 CEAERO [NH3+]Cc1cc(Cl)ccc1N1CCCC[C@@H]1CO ZINC000052856991 527248809 /nfs/dbraw/zinc/24/88/09/527248809.db2.gz AIURULJEKPPUEY-GFCCVEGCSA-N 1 0 254.761 2.150 10 0 CEAERO [NH3+]Cc1ccnc(Cc2ccccc2Br)n1 ZINC000055336020 527262785 /nfs/dbraw/zinc/26/27/85/527262785.db2.gz JOHCMGGOSJHODY-UHFFFAOYSA-N 1 0 278.153 2.289 10 0 CEAERO NNc1ccc(C(=O)NCCC2CCCCC2)c[nH+]1 ZINC000051091623 527276960 /nfs/dbraw/zinc/27/69/60/527276960.db2.gz ATAJSTOTDTYHNK-UHFFFAOYSA-N 1 0 262.357 2.067 10 0 CEAERO O=S1(=O)CCC[C@@H]([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000069136771 527301402 /nfs/dbraw/zinc/30/14/02/527301402.db2.gz ZMXMPRWXUDUKIP-OUAUKWLOSA-N 1 0 299.358 2.274 10 0 CEAERO O=S1(=O)CC[C@@H]([C@H](C[NH2+]C2CC2)CC2CCCC2)C1 ZINC000052951795 527311013 /nfs/dbraw/zinc/31/10/13/527311013.db2.gz XMMGAMOHCSAVEK-KGLIPLIRSA-N 1 0 285.453 2.370 10 0 CEAERO [NH3+][C@@H](c1cc2c(cc1F)NC(=O)CC2)C1CCOCC1 ZINC000061671563 527337783 /nfs/dbraw/zinc/33/77/83/527337783.db2.gz DRNYBMCMKXTDAE-OAHLLOKOSA-N 1 0 278.327 2.137 10 0 CEAERO [NH3+][C@@H]1CCC2(C[C@@H]1Oc1ccc(Cl)cc1)OCCO2 ZINC000049960313 527340948 /nfs/dbraw/zinc/34/09/48/527340948.db2.gz HXZRGJVISGJTEI-OLZOCXBDSA-N 1 0 283.755 2.342 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)C1(c2ccccc2)CC1 ZINC000061618348 527342690 /nfs/dbraw/zinc/34/26/90/527342690.db2.gz IUINPOUBMHDYKJ-KGLIPLIRSA-N 1 0 258.365 2.104 10 0 CEAERO [NH3+][C@@H]1CCN(C2CC2)[C@@H]1c1cnn(-c2ccccc2)c1 ZINC000070299583 527364580 /nfs/dbraw/zinc/36/45/80/527364580.db2.gz MAYLWODCTDCBNP-HZPDHXFCSA-N 1 0 268.364 2.109 10 0 CEAERO [NH3+][C@H]1CCCCC[C@@H]1NC(=O)c1ccccc1F ZINC000063212025 527395468 /nfs/dbraw/zinc/39/54/68/527395468.db2.gz QFSBFGSJFWPPFN-STQMWFEESA-N 1 0 250.317 2.216 10 0 CEAERO [NH3+][C@H]1CCCc2nc(N3CCSCC3)sc21 ZINC000054894777 527409736 /nfs/dbraw/zinc/40/97/36/527409736.db2.gz OZIJYEPYZHWOED-QMMMGPOBSA-N 1 0 255.412 2.032 10 0 CEAERO O=C(NC1CCCCC1)N1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000051359071 527512926 /nfs/dbraw/zinc/51/29/26/527512926.db2.gz OVMGNFVZARUGCS-KGLIPLIRSA-N 1 0 265.401 2.245 10 0 CEAERO OCCC[C@@H]1CCC[N@@H+]1CCOc1ccc(F)cc1 ZINC000052762086 527543211 /nfs/dbraw/zinc/54/32/11/527543211.db2.gz PRIDCKSVOLLDSC-AWEZNQCLSA-N 1 0 267.344 2.441 10 0 CEAERO OCCn1cc(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)cn1 ZINC000068691184 527576327 /nfs/dbraw/zinc/57/63/27/527576327.db2.gz BZYJDYIPXDRHTM-VXGBXAGGSA-N 1 0 291.317 2.086 10 0 CEAERO Cc1nn(C)c(-n2cc(Cl)cn2)c1C[NH2+]C(C)(C)C ZINC000062738680 527596613 /nfs/dbraw/zinc/59/66/13/527596613.db2.gz DTWGOQYLKDNYHF-UHFFFAOYSA-N 1 0 281.791 2.456 10 0 CEAERO O[C@@H](C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(F)(F)F ZINC000068875982 527650697 /nfs/dbraw/zinc/65/06/97/527650697.db2.gz KSJMPFXGVIQWKW-AXFHLTTASA-N 1 0 251.292 2.422 10 0 CEAERO O[C@@H](C[NH2+][C@H]1CCOc2ccccc21)C(F)(F)F ZINC000068879910 527655772 /nfs/dbraw/zinc/65/57/72/527655772.db2.gz YZBKDGLBRQAHRU-ONGXEEELSA-N 1 0 261.243 2.023 10 0 CEAERO Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@@H]1CCCO ZINC000052759545 527665804 /nfs/dbraw/zinc/66/58/04/527665804.db2.gz FTGQCJUNAXVDJF-LLVKDONJSA-N 1 0 271.792 2.119 10 0 CEAERO FC(F)(F)CO[C@@H]1CCC[C@@H]([NH2+]Cc2cnc[nH]2)C1 ZINC000054764943 527671676 /nfs/dbraw/zinc/67/16/76/527671676.db2.gz AFBXCLDYERVFBH-MWLCHTKSSA-N 1 0 277.290 2.389 10 0 CEAERO CCCCN(CCCC)C(=O)C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401490739 528399707 /nfs/dbraw/zinc/39/97/07/528399707.db2.gz GPJUBPTZPYPVHV-HUUCEWRRSA-N 1 0 284.444 2.118 10 0 CEAERO CC(C)n1ccnc1C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000412052157 528605413 /nfs/dbraw/zinc/60/54/13/528605413.db2.gz XKSHUZQMLSHKSO-IHRRRGAJSA-N 1 0 263.385 2.057 10 0 CEAERO CC[C@@H](O)C[NH+]1CCN(CCc2ccccc2Cl)CC1 ZINC000174082767 529228618 /nfs/dbraw/zinc/22/86/18/529228618.db2.gz HVZSJSJODHVSII-OAHLLOKOSA-N 1 0 296.842 2.271 10 0 CEAERO CC[C@@H](O)C[NH+]1CCN([C@H](C)c2cccc(C)c2)CC1 ZINC000174075686 529229417 /nfs/dbraw/zinc/22/94/17/529229417.db2.gz QNZINMGXKISEAV-NVXWUHKLSA-N 1 0 276.424 2.445 10 0 CEAERO CC1(C)CN(c2nc(C(F)(F)F)ccc2C[NH3+])CCO1 ZINC000094334136 535359985 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ZINC000757214582 574513041 /nfs/dbraw/zinc/51/30/41/574513041.db2.gz UALHSYMTLDWHBA-CYBMUJFWSA-N 1 0 266.410 2.361 10 0 CEAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(O)cc1 ZINC000757185012 574511609 /nfs/dbraw/zinc/51/16/09/574511609.db2.gz PCEWDMBOGUTQRI-CHWSQXEVSA-N 1 0 263.337 2.037 10 0 CEAERO CCNC(=O)C[C@H](C[NH3+])c1cc(Br)cs1 ZINC000725268824 567924281 /nfs/dbraw/zinc/92/42/81/567924281.db2.gz CCPXGLQLZFBAOZ-SSDOTTSWSA-N 1 0 291.214 2.079 10 0 CEAERO CC(C)CC(=O)N([C@H](CC[NH3+])C(F)(F)F)C1CC1 ZINC000675057149 570364675 /nfs/dbraw/zinc/36/46/75/570364675.db2.gz WRCZYSRHKCVBPZ-SNVBAGLBSA-N 1 0 266.307 2.303 10 0 CEAERO CCS(=O)(=O)c1ccc(N[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089105820 625289048 /nfs/dbraw/zinc/28/90/48/625289048.db2.gz ALRNOGSKLVCNJO-FZMZJTMJSA-N 1 0 282.409 2.020 10 0 CEAERO Cc1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)cc1Cl ZINC000235340779 625328297 /nfs/dbraw/zinc/32/82/97/625328297.db2.gz POBQFAAJEZXGOH-SKDRFNHKSA-N 1 0 252.745 2.068 10 0 CEAERO CCC[C@@H](C(=O)NCCSC(F)(F)F)[NH+](C)C ZINC000179515400 625564092 /nfs/dbraw/zinc/56/40/92/625564092.db2.gz QTLQCBLRJZSLST-QMMMGPOBSA-N 1 0 272.336 2.086 10 0 CEAERO C(C[C@H]1CCC[NH2+]1)c1nc([C@H]2CCCS2)no1 ZINC000310519963 625582227 /nfs/dbraw/zinc/58/22/27/625582227.db2.gz WKBQGZSWUYUDFJ-NXEZZACHSA-N 1 0 253.371 2.322 10 0 CEAERO C[C@H]([NH3+])[C@H]1CCCN(c2ccc(Br)cn2)C1 ZINC000069725705 622683057 /nfs/dbraw/zinc/68/30/57/622683057.db2.gz YOUMKCQRILZOQM-UWVGGRQHSA-N 1 0 284.201 2.408 10 0 CEAERO CC(C)C[C@H](C[NH3+])c1nc(N2C[C@@H]3CCC[C@@H]3C2)no1 ZINC000757124848 622781386 /nfs/dbraw/zinc/78/13/86/622781386.db2.gz PSZZAJQCMDGNKP-FRRDWIJNSA-N 1 0 278.400 2.394 10 0 CEAERO CC(C)N(CC[NH+](C)C)S(=O)(=O)/C=C\c1ccccc1 ZINC000255138197 623172967 /nfs/dbraw/zinc/17/29/67/623172967.db2.gz CFQHZTUWCPEQLM-RAXLEYEMSA-N 1 0 296.436 2.259 10 0 CEAERO C/C(=C/C(=O)NCC[C@@H](C)[NH3+])c1ccc(F)cc1 ZINC000255143787 623181142 /nfs/dbraw/zinc/18/11/42/623181142.db2.gz AKTNXFFXSCLHKV-DWOQACPDSA-N 1 0 250.317 2.083 10 0 CEAERO C[C@H]([NH3+])CN(C)c1ncc(Br)cc1Cl ZINC000235480931 623624430 /nfs/dbraw/zinc/62/44/30/623624430.db2.gz JVVUMACAUOJZRL-LURJTMIESA-N 1 0 278.581 2.281 10 0 CEAERO CCN1CCC[C@H]([NH2+][C@H]2C[C@H](OC)C23CCC3)C1 ZINC000308367923 623674404 /nfs/dbraw/zinc/67/44/04/623674404.db2.gz MWDQVDWEUNCKBX-IHRRRGAJSA-N 1 0 252.402 2.018 10 0 CEAERO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)cc1 ZINC000261972836 624028136 /nfs/dbraw/zinc/02/81/36/624028136.db2.gz QSXPWYNIPFNFOO-BBWFWOEESA-N 1 0 274.408 2.242 10 0 CEAERO CS[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)COCc2ccco2)C1 ZINC000235074813 624577817 /nfs/dbraw/zinc/57/78/17/624577817.db2.gz KVDKJSZQNHDSIP-YRGRVCCFSA-N 1 0 285.409 2.031 10 0 CEAERO CCC[C@H]([NH3+])C(=O)Nc1nc2c(cccc2Cl)[nH]1 ZINC000262144917 624598568 /nfs/dbraw/zinc/59/85/68/624598568.db2.gz PWHWPSFWMZNSHG-QMMMGPOBSA-N 1 0 266.732 2.282 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(C[C@H](O)c2cc3ccccc3o2)C1 ZINC000091431197 624683408 /nfs/dbraw/zinc/68/34/08/624683408.db2.gz BXBBFGUKSHTYQE-CABCVRRESA-N 1 0 288.391 2.492 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@@H]2CC[C@H]([NH3+])C2)s1 ZINC000091543805 624769126 /nfs/dbraw/zinc/76/91/26/624769126.db2.gz GIGBKOGZUBUCAU-AXFHLTTASA-N 1 0 252.383 2.361 10 0 CEAERO O[C@@H]1CCC[C@H]([NH2+]Cc2cc(F)c(F)cc2F)C1 ZINC000225262969 627323936 /nfs/dbraw/zinc/32/39/36/627323936.db2.gz LOCGFHDKNULJMA-VHSXEESVSA-N 1 0 259.271 2.497 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+][C@H]2CCC[C@@H]2O)C1 ZINC000172632701 627783386 /nfs/dbraw/zinc/78/33/86/627783386.db2.gz IPUBAUMZENPUTL-IHRRRGAJSA-N 1 0 298.427 2.137 10 0 CEAERO OC[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000396426100 628224621 /nfs/dbraw/zinc/22/46/21/628224621.db2.gz RYAOCDAHNXTXCD-QCXCNERSSA-N 1 0 295.345 2.363 10 0 CEAERO CN(Cc1cccc2c1NCCC2)C[C@H]1CC[N@H+](C)C1 ZINC000312738430 628494677 /nfs/dbraw/zinc/49/46/77/628494677.db2.gz UTWWIAPXPCTNIZ-AWEZNQCLSA-N 1 0 273.424 2.428 10 0 CEAERO CCCCSCCC(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000236768361 628705194 /nfs/dbraw/zinc/70/51/94/628705194.db2.gz ANARVYLXWPPFSA-VXGBXAGGSA-N 1 0 258.431 2.153 10 0 CEAERO CN(Cc1ccc(Cl)cc1)C(=O)C1CC([NH3+])C1 ZINC000258616207 628750508 /nfs/dbraw/zinc/75/05/08/628750508.db2.gz BHRNSHZBQQILPD-UHFFFAOYSA-N 1 0 252.745 2.036 10 0 CEAERO CN(Cc1ccc(Cl)s1)C(=O)C1CC([NH3+])C1 ZINC000258784174 628766655 /nfs/dbraw/zinc/76/66/55/628766655.db2.gz UCWJEXJATQZMKD-UHFFFAOYSA-N 1 0 258.774 2.097 10 0 CEAERO Cc1cccc(OCCc2nc([C@@H]3CCC[NH2+]C3)no2)c1 ZINC000062257571 628922139 /nfs/dbraw/zinc/92/21/39/628922139.db2.gz BOPAVLXUTOPMIT-CYBMUJFWSA-N 1 0 287.363 2.467 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1c1ncc(Cl)cc1Br ZINC000261531295 628934788 /nfs/dbraw/zinc/93/47/88/628934788.db2.gz GASFVXPJVSQFCT-MUWHJKNJSA-N 1 0 290.592 2.423 10 0 CEAERO CC(C)Oc1cc(NCC2([NH3+])CCCCC2)ncn1 ZINC000261574889 628940032 /nfs/dbraw/zinc/94/00/32/628940032.db2.gz BHKNRUHCVHYRCO-UHFFFAOYSA-N 1 0 264.373 2.337 10 0 CEAERO C[C@@H]1CCCN(c2nccc(C(C)(C)C)n2)[C@H]1C[NH3+] ZINC000261613724 628948336 /nfs/dbraw/zinc/94/83/36/628948336.db2.gz SYGODZGZDHUXRD-NEPJUHHUSA-N 1 0 262.401 2.338 10 0 CEAERO C[C@@H]([NH3+])C1CCN(C(=O)[C@@H](C)Cc2ccccc2)CC1 ZINC000178867285 629227989 /nfs/dbraw/zinc/22/79/89/629227989.db2.gz FYUNLXKGTXWYED-UONOGXRCSA-N 1 0 274.408 2.451 10 0 CEAERO CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@@H]1CCCO[C@@H]1C ZINC000192252293 630014350 /nfs/dbraw/zinc/01/43/50/630014350.db2.gz YKLZZJFSOZBMNZ-RRFJBIMHSA-N 1 0 281.396 2.078 10 0 CEAERO [NH3+]C[C@@H]1CCN1Cc1cc(F)cc(Br)c1 ZINC000757144381 631822245 /nfs/dbraw/zinc/82/22/45/631822245.db2.gz JUQIVARPPZUFGL-NSHDSACASA-N 1 0 273.149 2.121 10 0 CEAERO C[C@@H]1SCC[C@@]12C[NH2+]C[C@H]2C(=O)OC(C)(C)C ZINC000757184094 631830161 /nfs/dbraw/zinc/83/01/61/631830161.db2.gz IXTKJVJNJMFGQE-OUJBWJOFSA-N 1 0 257.399 2.059 10 0 CEAERO Cc1nc(NCC2([NH3+])CC2)ccc1Br ZINC000900409692 633707294 /nfs/dbraw/zinc/70/72/94/633707294.db2.gz SUJCJNQIRRWGOB-UHFFFAOYSA-N 1 0 256.147 2.056 10 0 CEAERO Fc1ccc(Cc2nc(C[C@@H]3CCC[NH2+]C3)no2)c(F)c1 ZINC000125909510 650263456 /nfs/dbraw/zinc/26/34/56/650263456.db2.gz BVHYVQVSXILJAQ-JTQLQIEISA-N 1 0 293.317 2.481 10 0 CEAERO O=C(CCC1CCCC1)N[C@@H]1C[NH+]2CCC1CC2 ZINC000222585077 639383542 /nfs/dbraw/zinc/38/35/42/639383542.db2.gz NNOLJZFSVWMRBT-CQSZACIVSA-N 1 0 250.386 2.167 10 0 CEAERO O=S(=O)(/C=C\c1ccccc1)NCCC[NH+]1CCCC1 ZINC000056701221 639424980 /nfs/dbraw/zinc/42/49/80/639424980.db2.gz LBTZYKGQAGTDST-ZROIWOOFSA-N 1 0 294.420 2.063 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1Nc1ccc(C(F)(F)F)nn1 ZINC000167120507 639507831 /nfs/dbraw/zinc/50/78/31/639507831.db2.gz UVJRFHSKZYKDAO-YUMQZZPRSA-N 1 0 260.263 2.035 10 0 CEAERO OCC1(C[NH2+]C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000167172296 639510261 /nfs/dbraw/zinc/51/02/61/639510261.db2.gz MVXPJCFUWCJREZ-LBPRGKRZSA-N 1 0 289.297 2.101 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1cc(Cl)nc(Cl)c1 ZINC000157769476 639523716 /nfs/dbraw/zinc/52/37/16/639523716.db2.gz PHCMPSZCVWBZEI-VXNVDRBHSA-N 1 0 288.178 2.246 10 0 CEAERO C[C@@H](CN(C)C)[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000168911441 639589768 /nfs/dbraw/zinc/58/97/68/639589768.db2.gz VAZSPEPKBCGZDR-GWCFXTLKSA-N 1 0 290.329 2.279 10 0 CEAERO Cc1ccc2c(C[N@@H+]3CC[C@H](CCO)C3)cc(=O)oc2c1 ZINC000227567414 639595818 /nfs/dbraw/zinc/59/58/18/639595818.db2.gz MZFUOHCTDOFECH-CYBMUJFWSA-N 1 0 287.359 2.306 10 0 CEAERO C1CC1c1nsc(N2CCC([C@H]3CCC[NH2+]3)CC2)n1 ZINC000087642632 639698379 /nfs/dbraw/zinc/69/83/79/639698379.db2.gz CWQBIVIVZIXHRV-GFCCVEGCSA-N 1 0 278.425 2.384 10 0 CEAERO Cc1cccc(CCC(=O)N[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000061883608 639727463 /nfs/dbraw/zinc/72/74/63/639727463.db2.gz XIXZSUZWKOMAOC-HUUCEWRRSA-N 1 0 260.381 2.171 10 0 CEAERO COC1CC([NH2+][C@H](C)c2cnc3cc(C)nn3c2C)C1 ZINC000230675253 639778281 /nfs/dbraw/zinc/77/82/81/639778281.db2.gz CRQTUDWMTNKIFR-QFWMXSHPSA-N 1 0 274.368 2.174 10 0 CEAERO OC[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1ccccc1 ZINC000063002457 639806909 /nfs/dbraw/zinc/80/69/09/639806909.db2.gz UFWNWOISIJCSIF-HOTGVXAUSA-N 1 0 275.323 2.182 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]2CN(c3ccncc3Br)C[C@@H]21 ZINC000231577393 639864152 /nfs/dbraw/zinc/86/41/52/639864152.db2.gz DTCZMJTZOZWVJY-JBLDHEPKSA-N 1 0 296.212 2.408 10 0 CEAERO COC1CC([NH2+][C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000231721203 639872943 /nfs/dbraw/zinc/87/29/43/639872943.db2.gz QRIOGZSZNNKTMP-TYUFSLCMSA-N 1 0 284.400 2.199 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@@H]1c1nc(C2CCOCC2)no1 ZINC000089383715 640358980 /nfs/dbraw/zinc/35/89/80/640358980.db2.gz NDKZTTRSMPFAMG-NEPJUHHUSA-N 1 0 265.357 2.196 10 0 CEAERO CC(C)c1ccc(-c2noc([C@H]3C[C@@H](O)C[NH2+]3)n2)cc1 ZINC000131721143 641085123 /nfs/dbraw/zinc/08/51/23/641085123.db2.gz RAGCOKHKKZIHII-CHWSQXEVSA-N 1 0 273.336 2.255 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1sccc1OC(F)F ZINC000237837585 641388814 /nfs/dbraw/zinc/38/88/14/641388814.db2.gz KYVPBLHXLVGSOQ-HTQZYQBOSA-N 1 0 290.335 2.207 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](c2nc([C@H]3COc4ccccc4O3)no2)C1 ZINC000250527605 641548263 /nfs/dbraw/zinc/54/82/63/641548263.db2.gz IQKFSPJYFDXESE-GIPNMCIBSA-N 1 0 287.319 2.177 10 0 CEAERO CC1CCC(C[NH2+]C[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000252550216 641579592 /nfs/dbraw/zinc/57/95/92/641579592.db2.gz OKVUJQAYCWVBLD-CKUJCDMFSA-N 1 0 266.429 2.266 10 0 CEAERO CO[C@H](c1noc([C@@H]2CCCC[C@H]2C[NH3+])n1)C1CC1 ZINC000253170576 641618961 /nfs/dbraw/zinc/61/89/61/641618961.db2.gz GYRZFYKRPSGIMY-TUAOUCFPSA-N 1 0 265.357 2.400 10 0 CEAERO C[C@H]1CN(c2cc(C(F)(F)F)ccn2)CC[C@H]1[NH3+] ZINC000251640892 642706561 /nfs/dbraw/zinc/70/65/61/642706561.db2.gz FXWVOSCQHHKCID-WCBMZHEXSA-N 1 0 259.275 2.274 10 0 CEAERO C[C@H]([NH2+]C[C@@H]1CCCS1(=O)=O)c1ccc(F)c(F)c1 ZINC000126892154 650995109 /nfs/dbraw/zinc/99/51/09/650995109.db2.gz WNNCNGSDFGDOCS-ONGXEEELSA-N 1 0 289.347 2.193 10 0 CEAERO CC1=C(C(=O)N[C@H](CC(C)C)C[NH+](C)C)CCCO1 ZINC000123069421 648772698 /nfs/dbraw/zinc/77/26/98/648772698.db2.gz JJJLEVHCFUPEQD-CYBMUJFWSA-N 1 0 268.401 2.163 10 0 CEAERO CCN(CC)c1ccc(N[C@@H]2CCC[NH2+]CC2)cn1 ZINC000129017044 651729078 /nfs/dbraw/zinc/72/90/78/651729078.db2.gz XNAHFVFWXATXKG-CYBMUJFWSA-N 1 0 262.401 2.482 10 0 CEAERO COC(=O)[C@@H]1C[N@H+](Cc2cc(F)ccc2C)C[C@@H]1C ZINC000129177677 651860086 /nfs/dbraw/zinc/86/00/86/651860086.db2.gz XNCRFFVSDAJEAB-SMDDNHRTSA-N 1 0 265.328 2.375 10 0 CEAERO C[NH2+]CCc1noc(-c2ccc(F)c(Cl)c2)n1 ZINC000212939615 652216899 /nfs/dbraw/zinc/21/68/99/652216899.db2.gz FSFLGIGPDACMNF-UHFFFAOYSA-N 1 0 255.680 2.291 10 0 CEAERO [NH3+]C1CC(CNC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000216586819 652990400 /nfs/dbraw/zinc/99/04/00/652990400.db2.gz FDLJIRBIEOYMJI-SEQHWMEXSA-N 1 0 278.318 2.209 10 0 CEAERO COCCOc1cccc(NC(=O)[C@@]2(C)CCCC[NH2+]2)c1 ZINC000136167061 653048969 /nfs/dbraw/zinc/04/89/69/653048969.db2.gz CAEZFBPHSUSBNE-MRXNPFEDSA-N 1 0 292.379 2.183 10 0 CEAERO CC[NH2+][C@H](CC)[C@H](C)S(=O)(=O)CC1CCCC1 ZINC000081991533 177915392 /nfs/dbraw/zinc/91/53/92/177915392.db2.gz JIOHBGJGTZZFIH-WCQYABFASA-N 1 0 261.431 2.368 10 0 CEAERO O=C(Nc1ccc(-c2ccncc2)cc1)[C@H]1CCC[NH2+]1 ZINC000082258015 177930871 /nfs/dbraw/zinc/93/08/71/177930871.db2.gz MOEJNPHBUYQWHZ-OAHLLOKOSA-N 1 0 267.332 2.439 10 0 CEAERO Cc1nc2ccccc2nc1N1CC[C@@](C)(C[NH3+])C1 ZINC000235955403 282088442 /nfs/dbraw/zinc/08/84/42/282088442.db2.gz RKCDPJKJLXHRLN-HNNXBMFYSA-N 1 0 256.353 2.113 10 0 CEAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H]1CC(F)(F)F ZINC000095642294 185017463 /nfs/dbraw/zinc/01/74/63/185017463.db2.gz QDJQPSDQSUMFFG-QMMMGPOBSA-N 1 0 268.279 2.148 10 0 CEAERO CCCOc1cc(NCCC[NH+](CC)CC)ncn1 ZINC000082482311 178053628 /nfs/dbraw/zinc/05/36/28/178053628.db2.gz NSZRGVMBKLMBEK-UHFFFAOYSA-N 1 0 266.389 2.409 10 0 CEAERO C[C@@]([NH3+])(CCO)c1cc(Br)cs1 ZINC000082554916 178089118 /nfs/dbraw/zinc/08/91/18/178089118.db2.gz BKWUOHYONFBYTO-MRVPVSSYSA-N 1 0 250.161 2.067 10 0 CEAERO CCCCCc1ccc(/C=C/[C@H](O)[C@@H](CO)[NH2+]C)cc1 ZINC000095913246 185030992 /nfs/dbraw/zinc/03/09/92/185030992.db2.gz JYEXUQKROPHSEF-SFDDJJRUSA-N 1 0 277.408 2.374 10 0 in-vitro CEAERO C[C@@H]([NH3+])Cc1noc(-c2sccc2Br)n1 ZINC000082614412 178126429 /nfs/dbraw/zinc/12/64/29/178126429.db2.gz YOTWNZGALURZIU-RXMQYKEDSA-N 1 0 288.170 2.450 10 0 CEAERO [NH3+][C@H]1CCCCC[C@@H]1Nc1ncc(Br)cn1 ZINC000082662446 178150992 /nfs/dbraw/zinc/15/09/92/178150992.db2.gz PSLRFTODLMXLOR-UWVGGRQHSA-N 1 0 285.189 2.311 10 0 CEAERO Cc1cc(Br)c2ncc([C@H](C)[NH3+])n2c1 ZINC000082693659 178188349 /nfs/dbraw/zinc/18/83/49/178188349.db2.gz AJMFEVUSZVYMNS-ZETCQYMHSA-N 1 0 254.131 2.425 10 0 CEAERO Cc1cc(C(=O)N(C)C[C@H]2CC[N@H+](C)C2)cc(C)c1F ZINC000121593268 365591257 /nfs/dbraw/zinc/59/12/57/365591257.db2.gz HCRTXKLBHLKJJL-ZDUSSCGKSA-N 1 0 278.371 2.466 10 0 CEAERO CC(C)[C@H]([NH3+])CN1CCN(c2ccccc2Cl)CC1 ZINC000034940084 361799300 /nfs/dbraw/zinc/79/93/00/361799300.db2.gz KSHOOCBAFCETKD-CQSZACIVSA-N 1 0 281.831 2.445 10 0 CEAERO C[C@@H](NCc1ccn(Cc2ccccc2)n1)[C@H]1CCC[NH2+]C1 ZINC000567640453 299070711 /nfs/dbraw/zinc/07/07/11/299070711.db2.gz JPJSXWWJKGTOEG-WBVHZDCISA-N 1 0 298.434 2.409 10 0 CEAERO O=C(Nc1cccc(O)c1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000082802899 178302152 /nfs/dbraw/zinc/30/21/52/178302152.db2.gz CKFLKGBQPRCTIE-HNNXBMFYSA-N 1 0 268.316 2.218 10 0 CEAERO CC[C@H](CC[NH3+])S(=O)(=O)c1ccccc1Cl ZINC000082789758 178295115 /nfs/dbraw/zinc/29/51/15/178295115.db2.gz WRSWLYQPWBTFTL-SECBINFHSA-N 1 0 261.774 2.241 10 0 CEAERO CCC[C@@H](C(=O)N(C)CCc1ncc(C)s1)[NH+](C)C ZINC000124342463 365649183 /nfs/dbraw/zinc/64/91/83/365649183.db2.gz OIKLLJLYXVEBKY-LBPRGKRZSA-N 1 0 283.441 2.183 10 0 CEAERO C[NH+](C)C[C@@H]1CN([C@H]2CCCc3ccccc32)CCO1 ZINC000247363702 282128154 /nfs/dbraw/zinc/12/81/54/282128154.db2.gz MSWFIYXIJHHBSX-WBVHZDCISA-N 1 0 274.408 2.326 10 0 CEAERO C[NH2+][C@@](C)(CO)C[C@H](C)Sc1nc(C)cs1 ZINC000082903512 178329505 /nfs/dbraw/zinc/32/95/05/178329505.db2.gz IDIDYMLHMHOUAH-GXSJLCMTSA-N 1 0 260.428 2.293 10 0 CEAERO CC[NH2+][C@](C)(CO)CSc1ccc(Cl)cn1 ZINC000082905448 178329540 /nfs/dbraw/zinc/32/95/40/178329540.db2.gz MNPSRCJGDVVZLT-LLVKDONJSA-N 1 0 260.790 2.188 10 0 CEAERO C[C@@]([NH3+])(CO)CSc1nc2ccccc2s1 ZINC000082905186 178329591 /nfs/dbraw/zinc/32/95/91/178329591.db2.gz XVDRYZUMDNLUNY-LLVKDONJSA-N 1 0 254.380 2.098 10 0 CEAERO C[C@@](O)(C[NH3+])CCSc1ccc(Br)cn1 ZINC000082917626 178329622 /nfs/dbraw/zinc/32/96/22/178329622.db2.gz MEKYFNOKGAUJNS-JTQLQIEISA-N 1 0 291.214 2.036 10 0 CEAERO Cc1csc(SC[C@@](C)(CO)[NH2+]C(C)C)n1 ZINC000082903500 178329635 /nfs/dbraw/zinc/32/96/35/178329635.db2.gz GHIXLNHHOJJGDE-LLVKDONJSA-N 1 0 260.428 2.293 10 0 CEAERO CC[C@H]1CN(CCc2cccc(F)c2)[C@H](C)C[NH2+]1 ZINC000083383544 178386212 /nfs/dbraw/zinc/38/62/12/178386212.db2.gz FSXTYRISCILVFS-DOMZBBRYSA-N 1 0 250.361 2.441 10 0 CEAERO [NH3+]CCOc1cc(Cl)ccc1Br ZINC000083383854 178387178 /nfs/dbraw/zinc/38/71/78/178387178.db2.gz LICUQCMWGUHNBU-UHFFFAOYSA-N 1 0 250.523 2.440 10 0 CEAERO C[NH2+]Cc1cc(OC)c(Br)cc1OC ZINC000083256370 178372348 /nfs/dbraw/zinc/37/23/48/178372348.db2.gz ACMTVYBTGGFPOS-UHFFFAOYSA-N 1 0 260.131 2.186 10 0 CEAERO CCC(CC)(CC)NC(=O)c1ccc(NN)[nH+]c1 ZINC000083388766 178394275 /nfs/dbraw/zinc/39/42/75/178394275.db2.gz WLCDRUPWLTVXOC-UHFFFAOYSA-N 1 0 250.346 2.066 10 0 CEAERO Cc1ccc2n1CCN(C(=O)[C@H]1CCCC[C@@H]1[NH3+])[C@H]2C ZINC000096837818 185116565 /nfs/dbraw/zinc/11/65/65/185116565.db2.gz WXBVFZNTDJJGRY-IHRRRGAJSA-N 1 0 275.396 2.217 10 0 CEAERO CN(C)[C@H](C[NH3+])c1ccc(Br)cc1F ZINC000036670309 361850895 /nfs/dbraw/zinc/85/08/95/361850895.db2.gz PUNUMDVFEHTJOM-SNVBAGLBSA-N 1 0 261.138 2.150 10 0 CEAERO COc1ccc([C@@H](C)CCC[NH3+])cc1NC(C)=O ZINC000096890564 185123643 /nfs/dbraw/zinc/12/36/43/185123643.db2.gz JALQGTNTBKJTNN-JTQLQIEISA-N 1 0 250.342 2.496 10 0 CEAERO COc1cc(C(C)C)c(OC)cc1NC(=O)CC[NH3+] ZINC000096890080 185123790 /nfs/dbraw/zinc/12/37/90/185123790.db2.gz OVKAONDJTBMWEY-UHFFFAOYSA-N 1 0 266.341 2.115 10 0 CEAERO C[C@H](CCCC[NH3+])c1ccc(S(C)(=O)=O)cc1 ZINC000096890861 185124146 /nfs/dbraw/zinc/12/41/46/185124146.db2.gz HWQGBBHZZPFNCR-LLVKDONJSA-N 1 0 255.383 2.323 10 0 CEAERO C[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@H]2CCC[C@@H]3O5 ZINC000096900219 185126428 /nfs/dbraw/zinc/12/64/28/185126428.db2.gz LNNWVNGFPYWNQE-ALYFQZSWSA-N 1 0 271.360 2.451 10 0 CEAERO C[C@H]([NH2+]CC(=O)Nc1c(F)cccc1F)[C@H]1CCCO1 ZINC000036823872 361861060 /nfs/dbraw/zinc/86/10/60/361861060.db2.gz CVXGIRHRUJWJGW-JOYOIKCWSA-N 1 0 284.306 2.060 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[NH2+]C[C@H]2CCC[C@H]21 ZINC000096958494 185141520 /nfs/dbraw/zinc/14/15/20/185141520.db2.gz BTGWYEQPIUAJIR-VXGBXAGGSA-N 1 0 254.374 2.386 10 0 CEAERO COc1ccc(C[NH2+][C@H]2CCC[C@H](O)C2)cc1F ZINC000037758156 361929920 /nfs/dbraw/zinc/92/99/20/361929920.db2.gz DAHKYIBIWJHHQA-RYUDHWBXSA-N 1 0 253.317 2.227 10 0 CEAERO CC[C@@H]1CN(Cc2nc(C)c(C)s2)CC[N@@H+]1C[C@@H](C)O ZINC000176359181 529398127 /nfs/dbraw/zinc/39/81/27/529398127.db2.gz LKWOSMCXGGDQLK-BXUZGUMPSA-N 1 0 297.468 2.037 10 0 CEAERO CC(C)(C[NH3+])N1CCN(c2cccc(Cl)c2)CC1 ZINC000038935630 361986771 /nfs/dbraw/zinc/98/67/71/361986771.db2.gz TXOCCQDFSKCSSH-UHFFFAOYSA-N 1 0 267.804 2.199 10 0 CEAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1cccc2cnccc21 ZINC000089162886 539031684 /nfs/dbraw/zinc/03/16/84/539031684.db2.gz ZPFSSENCHOUHTL-HOCLYGCPSA-N 1 0 256.349 2.485 10 0 CEAERO Cc1c2c(ccc1Br)[C@]1(C[C@@H]1[NH3+])CN2 ZINC000725246949 539192019 /nfs/dbraw/zinc/19/20/19/539192019.db2.gz BJXBOTUXDXXZIH-ONGXEEELSA-N 1 0 253.143 2.152 10 0 CEAERO CC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000162442781 529513264 /nfs/dbraw/zinc/51/32/64/529513264.db2.gz UAZWJSFQEZFTHD-SWLSCSKDSA-N 1 0 274.368 2.079 10 0 CEAERO CC[C@@]1(N)C[NH2+]C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000725262804 539211636 /nfs/dbraw/zinc/21/16/36/539211636.db2.gz RZDHXEUOPAANJN-VXGBXAGGSA-N 1 0 258.287 2.500 10 0 CEAERO CC(C)[C@H](C)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])CC1 ZINC000725262968 539211900 /nfs/dbraw/zinc/21/19/00/539211900.db2.gz YMMSPKLOYWMKKE-AXFHLTTASA-N 1 0 280.334 2.407 10 0 CEAERO CCCNC(=O)N1c2ccccc2CCC[C@@H]1C[NH3+] ZINC000725262939 539212027 /nfs/dbraw/zinc/21/20/27/539212027.db2.gz USQVHQSUCJHCDU-CYBMUJFWSA-N 1 0 261.369 2.276 10 0 CEAERO C[C@H]1C[NH2+]CCN1c1cc(N)ccc1C(F)(F)F ZINC000725263656 539212082 /nfs/dbraw/zinc/21/20/82/539212082.db2.gz YVLXSEYMXHNRET-QMMMGPOBSA-N 1 0 259.275 2.086 10 0 CEAERO CCCC(=O)N1CC[C@@H]2CC[C@]21[C@@H]1CCC[NH2+]C1 ZINC000725263547 539212322 /nfs/dbraw/zinc/21/23/22/539212322.db2.gz OUGMPJZKDLMURK-GZBFAFLISA-N 1 0 250.386 2.167 10 0 CEAERO CC(C)[C@H](C)C(=O)N1CCC2(CCC[C@H]2[NH3+])CC1 ZINC000725265164 539213010 /nfs/dbraw/zinc/21/30/10/539213010.db2.gz KNCKJBRWUUQGPK-QWHCGFSZSA-N 1 0 252.402 2.399 10 0 CEAERO CC[C@@H]1C[C@H]2CC[C@@H]([NH+]3CCOCC3)[C@@H](C1)C2=O ZINC000725268236 539214286 /nfs/dbraw/zinc/21/42/86/539214286.db2.gz UQWWCTGFSZUFCE-AAVRWANBSA-N 1 0 251.370 2.103 10 0 CEAERO C[C@@H]1CN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)C[C@H]1[NH3+] ZINC000335522468 212210728 /nfs/dbraw/zinc/21/07/28/212210728.db2.gz VJCPYGKZDIYXIN-ZWNOBZJWSA-N 1 0 296.798 2.303 10 0 CEAERO C[C@@H]1CCCCC[C@H]1[NH2+]C1CCN(CCO)CC1 ZINC000399178801 539263763 /nfs/dbraw/zinc/26/37/63/539263763.db2.gz KSTXQPHMMIAZTE-UKRRQHHQSA-N 1 0 254.418 2.002 10 0 CEAERO O=C1CC[C@H](C[NH2+]Cc2ccc(Cl)c(Cl)c2)N1 ZINC000079928478 539276672 /nfs/dbraw/zinc/27/66/72/539276672.db2.gz YQBBEZLUEZSPPS-SECBINFHSA-N 1 0 273.163 2.362 10 0 CEAERO CCCCOC[C@@H](O)C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000310663505 539278988 /nfs/dbraw/zinc/27/89/88/539278988.db2.gz KMMRJUACMDZSOG-MNOVXSKESA-N 1 0 269.307 2.048 10 0 CEAERO [NH3+][C@@H]1CCC[S@](=O)c2ccc(Br)cc21 ZINC000040976801 362010650 /nfs/dbraw/zinc/01/06/50/362010650.db2.gz UOJJSRUFIXRPLF-YMTOWFKASA-N 1 0 274.183 2.350 10 0 CEAERO C[C@@H](NCC[NH2+][C@@H](C)c1ccccn1)c1ccccn1 ZINC000019369573 343374650 /nfs/dbraw/zinc/37/46/50/343374650.db2.gz JPAOPUWOGMRBHW-OKILXGFUSA-N 1 0 270.380 2.478 10 0 CEAERO C[NH+](C)CCCN1CCC2(CCC(CO)CC2)CC1 ZINC000001686581 343351745 /nfs/dbraw/zinc/35/17/45/343351745.db2.gz VOFDCNGCPBSHPT-UHFFFAOYSA-N 1 0 268.445 2.203 10 0 CEAERO [NH3+]C[C@@H](O)c1cccc(OCc2ccccc2)c1F ZINC000032240870 343411957 /nfs/dbraw/zinc/41/19/57/343411957.db2.gz MUJVDWHBAVZXAR-CYBMUJFWSA-N 1 0 261.296 2.397 10 0 CEAERO CC(C)[C@@H]([NH3+])C(=O)N[C@H](C)c1cc(F)ccc1F ZINC000037007653 343424942 /nfs/dbraw/zinc/42/49/42/343424942.db2.gz FDENTWSHIPLFMJ-PRHODGIISA-N 1 0 256.296 2.125 10 0 CEAERO COc1ccnc2[nH]c([C@H](C[NH3+])O[C@H]3CCCCO3)cc21 ZINC000038341351 343434097 /nfs/dbraw/zinc/43/40/97/343434097.db2.gz ZYRVRQJQZZWLSI-KBPBESRZSA-N 1 0 291.351 2.115 10 0 CEAERO Cc1cnn(CCNc2cc[nH+]c(C)c2Cl)c1 ZINC000336716239 365780403 /nfs/dbraw/zinc/78/04/03/365780403.db2.gz PXJBBQJWGMQXBM-UHFFFAOYSA-N 1 0 250.733 2.082 10 0 CEAERO FC(F)n1ccnc1CN1CC[C@@H](Oc2cccnc2)C1 ZINC000177961254 542247545 /nfs/dbraw/zinc/24/75/45/542247545.db2.gz TXMJEUVKRXPKGM-GFCCVEGCSA-N 1 0 294.305 2.327 10 0 CEAERO C[C@@H]1C[C@@]2(CCC(=O)N2c2cccc(F)c2)CC[NH2+]1 ZINC000071603064 343801399 /nfs/dbraw/zinc/80/13/99/343801399.db2.gz HJUYUEUGWBGQKT-IAQYHMDHSA-N 1 0 262.328 2.463 10 0 CEAERO C[C@H]1CC[N@@H+]([C@@H]2CCC[C@H]2O)CCN1Cc1ccccc1 ZINC000307069251 539375677 /nfs/dbraw/zinc/37/56/77/539375677.db2.gz CITCTBPBQQVLGG-CGTJXYLNSA-N 1 0 288.435 2.496 10 0 CEAERO C/C(=C\c1ccccc1)CN1CCO[C@H](C[NH+](C)C)C1 ZINC000128197949 187356194 /nfs/dbraw/zinc/35/61/94/187356194.db2.gz KSBMFXPJPQTXPF-GSPCDJLXSA-N 1 0 274.408 2.352 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@@H](C)CCc2ccccc2)C1 ZINC000078516218 343955554 /nfs/dbraw/zinc/95/55/54/343955554.db2.gz WETXSGDVPLDADG-RDJZCZTQSA-N 1 0 276.424 2.318 10 0 CEAERO [NH3+][C@H]1CC[C@H](C(=O)NCCc2ccc(OC(F)F)cc2)C1 ZINC000091539622 344166888 /nfs/dbraw/zinc/16/68/88/344166888.db2.gz RXXMDFJVNYBWSY-RYUDHWBXSA-N 1 0 298.333 2.074 10 0 CEAERO COc1ccc2c(c1)CC[NH2+][C@H]2CN1CCCCC1 ZINC000113592172 344277605 /nfs/dbraw/zinc/27/76/05/344277605.db2.gz NJMCQINNLWKANS-INIZCTEOSA-N 1 0 260.381 2.368 10 0 CEAERO CC(C)[C@H](C)NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000125736366 344319751 /nfs/dbraw/zinc/31/97/51/344319751.db2.gz OMHPFORNAFHFNW-ZDUSSCGKSA-N 1 0 269.433 2.404 10 0 CEAERO CSc1ccccc1NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129621805 344345665 /nfs/dbraw/zinc/34/56/65/344345665.db2.gz PMPWEBGSEATWDK-UHFFFAOYSA-N 1 0 293.436 2.031 10 0 CEAERO CN(C(=O)C(C)(C)N1CC[NH2+]CC1)C1CCC(C)(C)CC1 ZINC000129810413 344347124 /nfs/dbraw/zinc/34/71/24/344347124.db2.gz OUELRPHTUASEHX-UHFFFAOYSA-N 1 0 295.471 2.097 10 0 CEAERO [NH3+]C[C@@H](Nc1ncnc2c1CCC2)C1CCCCC1 ZINC000130844824 344355347 /nfs/dbraw/zinc/35/53/47/344355347.db2.gz WOTDCTRDAXISPH-CQSZACIVSA-N 1 0 260.385 2.285 10 0 CEAERO C[C@H](c1ccc(Br)o1)N1CC[NH2+]CC1 ZINC000131809282 344360157 /nfs/dbraw/zinc/36/01/57/344360157.db2.gz PILVZVFRRIHMAK-MRVPVSSYSA-N 1 0 259.147 2.008 10 0 CEAERO [NH2+]=C(c1ccc(Br)cn1)N1CCCC1 ZINC000133380497 344368555 /nfs/dbraw/zinc/36/85/55/344368555.db2.gz IICNVEOVZHHTIE-UHFFFAOYSA-N 1 0 254.131 2.265 10 0 CEAERO CC(C)[C@H](C)NC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000155113225 344437546 /nfs/dbraw/zinc/43/75/46/344437546.db2.gz OLXLGTOWIBQNLJ-QWHCGFSZSA-N 1 0 255.406 2.013 10 0 CEAERO CCCOc1ccc(C[NH2+]C[C@@H]2CN(CC)CCO2)cc1 ZINC000134437343 344374384 /nfs/dbraw/zinc/37/43/84/344374384.db2.gz BNCTYOTXLWQKQS-QGZVFWFLSA-N 1 0 292.423 2.286 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]Cc2ccc(C)c(C)c2)C1 ZINC000134437285 344374390 /nfs/dbraw/zinc/37/43/90/344374390.db2.gz UQDFRWAZSUZXGB-INIZCTEOSA-N 1 0 262.397 2.114 10 0 CEAERO CCCOc1cccc(C[NH2+]C[C@@H]2CN(CC)CCO2)c1 ZINC000134435907 344374453 /nfs/dbraw/zinc/37/44/53/344374453.db2.gz JMPWGNHGRXOCHS-QGZVFWFLSA-N 1 0 292.423 2.286 10 0 CEAERO CC(C)C(=O)Nc1cccc(C2CCN(CC[NH3+])CC2)c1 ZINC000138626031 344391149 /nfs/dbraw/zinc/39/11/49/344391149.db2.gz DAEAZSJQJMQBRD-UHFFFAOYSA-N 1 0 289.423 2.419 10 0 CEAERO C[N@@H+]1CC[C@]23CC(=O)CC[C@H]2[C@H]1Cc1cccc(O)c13 ZINC000139727311 344395026 /nfs/dbraw/zinc/39/50/26/344395026.db2.gz QYNINOVRFBUMAB-VBQJREDUSA-N 1 0 271.360 2.259 10 0 CEAERO [NH3+][C@H](Cn1cncn1)c1ccc(Cl)cc1Cl ZINC000146293429 344410295 /nfs/dbraw/zinc/41/02/95/344410295.db2.gz IHKXUUPBTZFRKU-SNVBAGLBSA-N 1 0 257.124 2.285 10 0 CEAERO CC(=O)N[C@@H]1CC[NH2+][C@H](Cc2ccc(Cl)cc2)C1 ZINC000147072817 344411457 /nfs/dbraw/zinc/41/14/57/344411457.db2.gz ZUCUZFNFZHAFCF-ZIAGYGMSSA-N 1 0 266.772 2.139 10 0 CEAERO O=CC1CC[NH+](CCOCCc2ccccc2)CC1 ZINC000148079113 344413172 /nfs/dbraw/zinc/41/31/72/344413172.db2.gz GUOZCKOCQPYIRW-UHFFFAOYSA-N 1 0 261.365 2.157 10 0 CEAERO [NH3+]CCCc1n[nH]c2ccc(Br)cc21 ZINC000148581876 344413929 /nfs/dbraw/zinc/41/39/29/344413929.db2.gz MQODYHCRRGBBBC-UHFFFAOYSA-N 1 0 254.131 2.217 10 0 CEAERO C[C@@H]1CC(c2ccncc2[N+](=O)[O-])=CC(=O)[C@@H]1C[NH+](C)C ZINC000149822143 344415388 /nfs/dbraw/zinc/41/53/88/344415388.db2.gz MRURIDYMVHCNJL-ZWNOBZJWSA-N 1 0 289.335 2.160 10 0 CEAERO C[C@@H]([NH3+])Cc1cc(Br)cc2c1OCC2 ZINC000160475397 344458973 /nfs/dbraw/zinc/45/89/73/344458973.db2.gz DRRRHMXLLSICNM-SSDOTTSWSA-N 1 0 256.143 2.274 10 0 CEAERO O[C@@]1(c2cscc2Br)CCC[NH2+]CC1 ZINC000160709340 344460732 /nfs/dbraw/zinc/46/07/32/344460732.db2.gz WSIMLSOQBRHGSR-JTQLQIEISA-N 1 0 276.199 2.472 10 0 CEAERO C[C@H]1CC2(C[NH+]=C(N)N2Cc2ccccc2)C[C@H](C)O1 ZINC000165616945 344474913 /nfs/dbraw/zinc/47/49/13/344474913.db2.gz QLOBWMCJSCWBIH-STQMWFEESA-N 1 0 273.380 2.143 10 0 CEAERO Cc1cccc(CCC(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000170857067 344491655 /nfs/dbraw/zinc/49/16/55/344491655.db2.gz SFHMZNTYQWHRHD-HNNXBMFYSA-N 1 0 260.381 2.090 10 0 CEAERO Cc1ccc(SCC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000170861129 344492006 /nfs/dbraw/zinc/49/20/06/344492006.db2.gz MQIYOMHVSNBOCQ-CYBMUJFWSA-N 1 0 278.421 2.250 10 0 CEAERO CCCOC(=O)Cc1c2ccccn2c2c1CC[C@H]([NH3+])C2 ZINC000221285206 344539079 /nfs/dbraw/zinc/53/90/79/344539079.db2.gz XKBHLUMUPUCFGR-LBPRGKRZSA-N 1 0 286.375 2.251 10 0 CEAERO CCS[C@H]1CCC[C@H]1NC(=O)C1CCC([NH3+])CC1 ZINC000225554707 344546962 /nfs/dbraw/zinc/54/69/62/344546962.db2.gz CARRJYYVMCDHSS-TUUUFIMRSA-N 1 0 270.442 2.294 10 0 CEAERO C[C@@](O)(C[C@H]1CCCC[NH2+]1)C(F)(F)Br ZINC000225664731 344547164 /nfs/dbraw/zinc/54/71/64/344547164.db2.gz RPLMUNUGPWJVLG-HTQZYQBOSA-N 1 0 272.133 2.257 10 0 CEAERO CCCn1cc(C[C@H]2C[NH2+]C[C@@H]2c2ccccc2)nn1 ZINC000225829032 344548116 /nfs/dbraw/zinc/54/81/16/344548116.db2.gz AVNJFTBELRHSBA-GOEBONIOSA-N 1 0 270.380 2.234 10 0 CEAERO [NH3+][C@H]1CCC[C@H](C(=O)N2CC[C@@H]3CCCC[C@@H]32)C1 ZINC000226330790 344549238 /nfs/dbraw/zinc/54/92/38/344549238.db2.gz RCLNHZNGHHHPBI-XUXIUFHCSA-N 1 0 250.386 2.295 10 0 CEAERO Cn1cc(N)c(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000231659661 344575051 /nfs/dbraw/zinc/57/50/51/344575051.db2.gz XOQQCRJEJAWROZ-AWEZNQCLSA-N 1 0 285.395 2.079 10 0 CEAERO CC(C)c1nsc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000228552894 344561084 /nfs/dbraw/zinc/56/10/84/344561084.db2.gz UGGHHCDTUHLLBI-HBNTYKKESA-N 1 0 266.414 2.225 10 0 CEAERO C[C@H]([NH3+])C[C@H](O)c1ccc(F)cc1Br ZINC000235504484 344591610 /nfs/dbraw/zinc/59/16/10/344591610.db2.gz OFOQRQLFRWSXJK-WKEGUHRASA-N 1 0 262.122 2.359 10 0 CEAERO O[C@@H](c1cscc1Br)[C@@H]1CCC[NH2+]1 ZINC000236548360 344595805 /nfs/dbraw/zinc/59/58/05/344595805.db2.gz OMDUUPMDFPQPDG-IUCAKERBSA-N 1 0 262.172 2.296 10 0 CEAERO CCCC1(C[NH2+]C[C@H](O)COCc2ccco2)CC1 ZINC000232973093 344580365 /nfs/dbraw/zinc/58/03/65/344580365.db2.gz HNKLOYDOZBNVIC-ZDUSSCGKSA-N 1 0 267.369 2.327 10 0 CEAERO CCOC(=O)C[C@H](O)C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000233987965 344582744 /nfs/dbraw/zinc/58/27/44/344582744.db2.gz AHWBEJBKZMTJDD-IUCAKERBSA-N 1 0 291.800 2.366 10 0 CEAERO COc1ccc(Br)cc1N[C@H](C)C[NH3+] ZINC000234828316 344587484 /nfs/dbraw/zinc/58/74/84/344587484.db2.gz SUJKTWRJENBBSQ-SSDOTTSWSA-N 1 0 259.147 2.217 10 0 CEAERO CCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCNC2=O)cc1 ZINC000050394225 362418611 /nfs/dbraw/zinc/41/86/11/362418611.db2.gz GIWWRSJHGUWQTA-IUODEOHRSA-N 1 0 276.380 2.405 10 0 CEAERO Cc1ccc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)n1C ZINC000053372683 362491835 /nfs/dbraw/zinc/49/18/35/362491835.db2.gz VJNNOQMHEAWDPX-OAHLLOKOSA-N 1 0 285.391 2.366 10 0 CEAERO CNC(=[NH2+])N[C@H](C)c1cccc(Br)c1 ZINC000052020042 362460686 /nfs/dbraw/zinc/46/06/86/362460686.db2.gz QVXZZXKHEZOMAL-SSDOTTSWSA-N 1 0 256.147 2.254 10 0 CEAERO C[C@@](O)(CN1CC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000052097507 362464645 /nfs/dbraw/zinc/46/46/45/362464645.db2.gz LUWCDCKCNOHSJH-GOSISDBHSA-N 1 0 288.435 2.454 10 0 CEAERO Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2CCCO)c1 ZINC000052762133 362473871 /nfs/dbraw/zinc/47/38/71/362473871.db2.gz CCHVMEJSMCIROW-OAHLLOKOSA-N 1 0 276.380 2.170 10 0 CEAERO Cc1ccc(C)c(NC(=O)C[N@@H+]2CCC[C@@H]2CCCO)c1 ZINC000052762117 362474076 /nfs/dbraw/zinc/47/40/76/362474076.db2.gz MSSBDVYWHZQQMY-OAHLLOKOSA-N 1 0 290.407 2.479 10 0 CEAERO C[NH+](C)C[C@@H](NC(=O)NCc1cccnc1)c1ccccc1 ZINC000053249427 362488751 /nfs/dbraw/zinc/48/87/51/362488751.db2.gz NZWIJGMFGNTXDK-MRXNPFEDSA-N 1 0 298.390 2.184 10 0 CEAERO CC[C@H](CNC(=O)[C@@H]1CC[C@H]([NH3+])C1)Oc1cccc(F)c1 ZINC000262643860 344655396 /nfs/dbraw/zinc/65/53/96/344655396.db2.gz QJIOGKHMTLCRCE-KWCYVHTRSA-N 1 0 294.370 2.227 10 0 CEAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cc4cc(F)ccc4o3)C[C@H]12 ZINC000248634391 344623906 /nfs/dbraw/zinc/62/39/06/344623906.db2.gz PWRYBCBHOXJSLP-TVYUQYBPSA-N 1 0 288.322 2.381 10 0 CEAERO OCCC[C@@H]1CCC[N@@H+]1C[C@H]1COc2ccccc2O1 ZINC000250538127 344633527 /nfs/dbraw/zinc/63/35/27/344633527.db2.gz RQPSJRBLJIJTLV-KBPBESRZSA-N 1 0 277.364 2.063 10 0 CEAERO C/C(=C/c1ncc(I)s1)C[NH3+] ZINC000307161268 344720292 /nfs/dbraw/zinc/72/02/92/344720292.db2.gz GBRHCRBLJZMFQW-DJWKRKHSSA-N 1 0 280.134 2.110 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@]2(C1)[NH2+]C(C)(C)CS2 ZINC000307349554 344722032 /nfs/dbraw/zinc/72/20/32/344722032.db2.gz SDSHQSDWFZTADY-ZDUSSCGKSA-N 1 0 272.414 2.439 10 0 CEAERO COC(=O)[C@@H]1CCC[N@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000300008960 344698189 /nfs/dbraw/zinc/69/81/89/344698189.db2.gz YAZCSUVLRBICKE-ZIAGYGMSSA-N 1 0 281.396 2.363 10 0 CEAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](O)COCc1ccccc1 ZINC000300587579 344700517 /nfs/dbraw/zinc/70/05/17/344700517.db2.gz QRGGXWLPTORLMF-OAGGEKHMSA-N 1 0 263.381 2.342 10 0 CEAERO Nc1cc[nH+]cc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000306498360 344713887 /nfs/dbraw/zinc/71/38/87/344713887.db2.gz DYRJRVVDDWKHJP-UHFFFAOYSA-N 1 0 282.391 2.376 10 0 CEAERO C[C@@H]1CCS[C@]2(CCN(C(=O)OC(C)(C)C)C2)[NH2+]1 ZINC000306580345 344714466 /nfs/dbraw/zinc/71/44/66/344714466.db2.gz NSMYOQFLBWFDLR-MFKMUULPSA-N 1 0 272.414 2.439 10 0 CEAERO c1nc2ccccn2c1CN(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000328633516 344757275 /nfs/dbraw/zinc/75/72/75/344757275.db2.gz MCXVEPNRSGHMHK-CYBMUJFWSA-N 1 0 270.380 2.051 10 0 CEAERO CCC1CCC([NH2+][C@@H]2CCCN(CCO)C2)CC1 ZINC000384300092 344827756 /nfs/dbraw/zinc/82/77/56/344827756.db2.gz BPCGXSHPNRSKTP-YMAMQOFZSA-N 1 0 254.418 2.002 10 0 CEAERO OCCN1CCC[C@H]([NH2+]Cc2csc3ccccc23)C1 ZINC000395115005 344844191 /nfs/dbraw/zinc/84/41/91/344844191.db2.gz KPSAYGYUUACZDQ-AWEZNQCLSA-N 1 0 290.432 2.448 10 0 CEAERO COC(=O)[C@@H](C[NH2+]CCc1cccnc1)c1ccccc1 ZINC000083882042 178757771 /nfs/dbraw/zinc/75/77/71/178757771.db2.gz GPIOSMGQBAZFKC-INIZCTEOSA-N 1 0 284.359 2.171 10 0 CEAERO CN(C[C@H]1C[C@H]2CC[C@@H]1C2)C(=O)[C@@H]1CCCCC[NH2+]1 ZINC000083897544 178761353 /nfs/dbraw/zinc/76/13/53/178761353.db2.gz IUPXFOQEUPALHL-YJNKXOJESA-N 1 0 264.413 2.413 10 0 CEAERO CCC[NH2+][C@H](C)C[S@@](=O)c1ccc(F)cc1F ZINC000084032236 178773382 /nfs/dbraw/zinc/77/33/82/178773382.db2.gz DCZVUCSSVOQDCR-XLFHBGCDSA-N 1 0 261.337 2.461 10 0 CEAERO CCC[S@@](=O)C[C@H]([NH2+]C)c1ccc(OC)cc1 ZINC000084009555 178771798 /nfs/dbraw/zinc/77/17/98/178771798.db2.gz HKVPLVMUTMFTNG-GUYCJALGSA-N 1 0 255.383 2.114 10 0 CEAERO C[NH2+][C@H]1c2ccc(OC)cc2CC[C@@H]1[S@](=O)C(C)C ZINC000084042447 178777234 /nfs/dbraw/zinc/77/72/34/178777234.db2.gz ZXMZRGICVZCKJX-DOXZYTNZSA-N 1 0 281.421 2.428 10 0 CEAERO CCOC(=O)[C@@H](CC)Oc1cccc2c1CC[C@H]2[NH3+] ZINC000084100481 178789717 /nfs/dbraw/zinc/78/97/17/178789717.db2.gz IRAMSFJTZBYEMW-CHWSQXEVSA-N 1 0 263.337 2.353 10 0 CEAERO CCO[C@@H]1CC[NH2+][C@@H](c2ccc(C(=O)OC)cc2)C1 ZINC000584598122 344961778 /nfs/dbraw/zinc/96/17/78/344961778.db2.gz DZNZBIFPILZUCT-ZIAGYGMSSA-N 1 0 263.337 2.303 10 0 CEAERO c1ccc([C@@H]2N=C(CCC[NH+]3CCCC3)ON2)cc1 ZINC000584614152 344965255 /nfs/dbraw/zinc/96/52/55/344965255.db2.gz VMTFQNKQJWJBMO-OAHLLOKOSA-N 1 0 259.353 2.495 10 0 CEAERO CC(C)[NH2+][C@H](C)[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 ZINC000584621436 344967392 /nfs/dbraw/zinc/96/73/92/344967392.db2.gz OKJIXKXNHUFUHR-PSLIRLAXSA-N 1 0 276.336 2.066 10 0 CEAERO CC(C)(C)[S@@](=O)N[C@H]1C(F)(F)CCC12CC[NH2+]CC2 ZINC000584627504 344968852 /nfs/dbraw/zinc/96/88/52/344968852.db2.gz TXGRWMPPONDDSW-GIGQVBGESA-N 1 0 294.411 2.206 10 0 CEAERO CCOC(=O)[C@H](CC)Oc1ccc(C)cc1CC[NH3+] ZINC000084106241 178792859 /nfs/dbraw/zinc/79/28/59/178792859.db2.gz SFYGRWHJFMKZDK-ZDUSSCGKSA-N 1 0 265.353 2.217 10 0 CEAERO CCS(=O)(=O)CCSc1cccc([C@H](C)[NH3+])c1 ZINC000084123288 178797910 /nfs/dbraw/zinc/79/79/10/178797910.db2.gz CSDYEQMGYHHBIZ-JTQLQIEISA-N 1 0 273.423 2.233 10 0 CEAERO OC[C@@]1(C[C@H]2CO2)CCC[N@H+](Cc2ccccc2)C1 ZINC000584882612 344996624 /nfs/dbraw/zinc/99/66/24/344996624.db2.gz RGFAXADQLOUVQL-JKSUJKDBSA-N 1 0 261.365 2.050 10 0 CEAERO [NH3+]C1(Cc2nc3ccccc3n2CCO)CCCCC1 ZINC000084143645 178801616 /nfs/dbraw/zinc/80/16/16/178801616.db2.gz XMGHXYSCIBLUQZ-UHFFFAOYSA-N 1 0 273.380 2.233 10 0 CEAERO COc1ccc(C)cc1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054290155 362521831 /nfs/dbraw/zinc/52/18/31/362521831.db2.gz XXTGTONZIXUHRW-LBPRGKRZSA-N 1 0 262.353 2.332 10 0 CEAERO CCCOc1cc(C)ccc1NC(=O)[C@@H](C)[NH2+]C ZINC000054074603 362509093 /nfs/dbraw/zinc/50/90/93/362509093.db2.gz PDAQDTCQYMAPAR-LLVKDONJSA-N 1 0 250.342 2.330 10 0 CEAERO CCN(Cc1ccncc1)C(=O)CC1([NH3+])CCCCC1 ZINC000084182470 178816867 /nfs/dbraw/zinc/81/68/67/178816867.db2.gz YZXKTSUNNVAJHX-UHFFFAOYSA-N 1 0 275.396 2.482 10 0 CEAERO [NH3+]C1(CC(=O)N2CCCSCC2)CCCCC1 ZINC000084184929 178818995 /nfs/dbraw/zinc/81/89/95/178818995.db2.gz ZTJJZGNFYHNJMH-UHFFFAOYSA-N 1 0 256.415 2.004 10 0 CEAERO COCc1ccccc1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054291631 362523275 /nfs/dbraw/zinc/52/32/75/362523275.db2.gz VIXACUDXGXLSNL-LBPRGKRZSA-N 1 0 262.353 2.161 10 0 CEAERO COc1ccccc1-c1noc(C[C@@H]2CCC[NH2+]C2)n1 ZINC000054301399 362523662 /nfs/dbraw/zinc/52/36/62/362523662.db2.gz KOZCSRKIYWLWKA-NSHDSACASA-N 1 0 273.336 2.287 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)NCCc1ccc(Cl)cc1 ZINC000054308822 362526237 /nfs/dbraw/zinc/52/62/37/362526237.db2.gz SYEJAFTYHQUBAT-ZDUSSCGKSA-N 1 0 280.799 2.388 10 0 CEAERO [NH3+]C1(CC(=O)N(Cc2ccccn2)C2CC2)CCCC1 ZINC000084170250 178813792 /nfs/dbraw/zinc/81/37/92/178813792.db2.gz OYPGFYXYWLOSTG-UHFFFAOYSA-N 1 0 273.380 2.234 10 0 CEAERO C[NH2+]CC(C)(C)Cc1c(Br)c(C)nn1C ZINC000084275875 178840043 /nfs/dbraw/zinc/84/00/43/178840043.db2.gz YUPFEYJSXNWVCO-UHFFFAOYSA-N 1 0 274.206 2.279 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000084267604 178834941 /nfs/dbraw/zinc/83/49/41/178834941.db2.gz AHZURDTWBZBYAS-JOYOIKCWSA-N 1 0 273.785 2.241 10 0 CEAERO CC[C@@H]1CC[C@@H](C[NH3+])[C@H](S(=O)(=O)CC(C)C)C1 ZINC000084269415 178835780 /nfs/dbraw/zinc/83/57/80/178835780.db2.gz UETZESRRAYDILJ-FRRDWIJNSA-N 1 0 261.431 2.211 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)CSCc1ccc(F)cc1 ZINC000592332202 345343133 /nfs/dbraw/zinc/34/31/33/345343133.db2.gz GCRYOVSRINGWHW-RISCZKNCSA-N 1 0 296.411 2.316 10 0 CEAERO CCN[C@@](C)(C[C@H](C)[N@H+](C)[C@@H](C)C1CC1)C(=O)OC ZINC000084310415 178855347 /nfs/dbraw/zinc/85/53/47/178855347.db2.gz RHWMCOSJMOHPSV-HUBLWGQQSA-N 1 0 270.417 2.037 10 0 CEAERO CCc1nn(C)c(CC[C@@H](C)C[NH3+])c1Br ZINC000084297444 178848743 /nfs/dbraw/zinc/84/87/43/178848743.db2.gz IGNSJJIWRLWVFP-MRVPVSSYSA-N 1 0 274.206 2.272 10 0 CEAERO CCC[NH2+][C@H](C)C[C@@H](C)Sc1n[nH]c(=O)n1CCC ZINC000084361855 178870155 /nfs/dbraw/zinc/87/01/55/178870155.db2.gz OSMSFIRQRCVIIR-GHMZBOCLSA-N 1 0 286.445 2.240 10 0 CEAERO CCCn1nc(C)c(N)c1NC[C@@H](C)[NH+]1CCCCC1 ZINC000097125298 185541687 /nfs/dbraw/zinc/54/16/87/185541687.db2.gz WGKVVYLUETUHFE-GFCCVEGCSA-N 1 0 279.432 2.470 10 0 CEAERO CCCCCCO[C@H](C)C[C@@](C)([NH2+]C1CC1)C(N)=O ZINC000084366025 178875059 /nfs/dbraw/zinc/87/50/59/178875059.db2.gz WEGHXRYZCLJBIW-IUODEOHRSA-N 1 0 270.417 2.358 10 0 CEAERO CC(C)[NH2+]CC1([C@@H]2CS(=O)(=O)c3ccccc32)CC1 ZINC000097147697 185549291 /nfs/dbraw/zinc/54/92/91/185549291.db2.gz MOGBVAWEWVXXPC-CYBMUJFWSA-N 1 0 279.405 2.336 10 0 CEAERO CCC[NH2+][C@H]1CC[C@@H](S(=O)(=O)c2ccccc2OC)C1 ZINC000084433975 178887607 /nfs/dbraw/zinc/88/76/07/178887607.db2.gz TZTMQWCRIXPSTJ-QWHCGFSZSA-N 1 0 297.420 2.390 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000084433522 178887876 /nfs/dbraw/zinc/88/78/76/178887876.db2.gz VJYVFZOVKXHAHD-MWLCHTKSSA-N 1 0 293.310 2.359 10 0 CEAERO CCOc1ccccc1OCC[C@@]1(CO)CCC[NH2+]C1 ZINC000097153670 185550713 /nfs/dbraw/zinc/55/07/13/185550713.db2.gz OXAWNNHADDMBSG-INIZCTEOSA-N 1 0 279.380 2.216 10 0 CEAERO Cc1cc(N2CC[NH2+]CC2)nc(-c2ccccc2F)n1 ZINC000058047068 362606448 /nfs/dbraw/zinc/60/64/48/362606448.db2.gz LZVRUYFWNACZQM-UHFFFAOYSA-N 1 0 272.327 2.001 10 0 CEAERO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000057879211 362599268 /nfs/dbraw/zinc/59/92/68/362599268.db2.gz ZFHYFVUEURBNSW-NEPJUHHUSA-N 1 0 291.395 2.305 10 0 CEAERO CCC[NH2+]C[C@](C)(O)CCc1ccc2c(c1)CCO2 ZINC000097210086 185564776 /nfs/dbraw/zinc/56/47/76/185564776.db2.gz DYRIZOZEIIYBIT-MRXNPFEDSA-N 1 0 263.381 2.305 10 0 CEAERO CCC[NH2+][C@@H](Cc1c(Cl)c(C)nn1C)c1ccnnc1 ZINC000097273866 185575435 /nfs/dbraw/zinc/57/54/35/185575435.db2.gz WQYOORSSYKMYNP-LBPRGKRZSA-N 1 0 293.802 2.455 10 0 CEAERO C[NH2+][C@H](Cc1ncnn1C)Cc1cccc2ccccc21 ZINC000097275084 185575582 /nfs/dbraw/zinc/57/55/82/185575582.db2.gz FYVVGHXTXDNVRG-HNNXBMFYSA-N 1 0 280.375 2.342 10 0 CEAERO C[NH2+][C@@H](CCc1c(C)nn(C)c1C)Cc1ccccn1 ZINC000097272820 185575590 /nfs/dbraw/zinc/57/55/90/185575590.db2.gz FSMPIIPQXRXCJC-AWEZNQCLSA-N 1 0 272.396 2.195 10 0 CEAERO Cn1cc(C[C@@H]([NH3+])CSc2ccc(F)cc2)cn1 ZINC000097329867 185585806 /nfs/dbraw/zinc/58/58/06/185585806.db2.gz KSJYWVIVLKHGNB-GFCCVEGCSA-N 1 0 265.357 2.221 10 0 CEAERO Cn1c(C[C@H]([NH3+])CCc2ccncc2)nc2ccccc21 ZINC000097303504 185581654 /nfs/dbraw/zinc/58/16/54/185581654.db2.gz KVDGICYCJFQXBT-CQSZACIVSA-N 1 0 280.375 2.471 10 0 CEAERO C[C@@H]1CC([NH2+][C@@H]2CC(=O)N(C3CCCC3)C2=O)C[C@@H](C)C1 ZINC000084974585 178937189 /nfs/dbraw/zinc/93/71/89/178937189.db2.gz YPYHAXHKGPTTGK-SLEUVZQESA-N 1 0 292.423 2.471 10 0 CEAERO c1ncn([C@@H]2CCC[N@@H+](CCCOc3ccccc3)C2)n1 ZINC000171703504 232269673 /nfs/dbraw/zinc/26/96/73/232269673.db2.gz IITIDEAGCXTNKX-OAHLLOKOSA-N 1 0 286.379 2.384 10 0 CEAERO Cc1nc(C[C@H]([NH3+])Cc2c(C)nn(C)c2C)sc1C ZINC000097342891 185587605 /nfs/dbraw/zinc/58/76/05/185587605.db2.gz WAKQKDBGIZRECE-GFCCVEGCSA-N 1 0 278.425 2.223 10 0 CEAERO CC(C)[NH2+][C@@](C)(CCO[C@H]1CC[C@@H](C)[C@@H](C)C1)C(N)=O ZINC000085021438 178942834 /nfs/dbraw/zinc/94/28/34/178942834.db2.gz FMKPRURKTCTEQF-HOSILWTGSA-N 1 0 284.444 2.460 10 0 CEAERO Cc1nn(C)c(Cl)c1C[C@@H]([NH3+])CCc1ccncc1 ZINC000097414996 185598897 /nfs/dbraw/zinc/59/88/97/185598897.db2.gz AKGCBWWGKBASSS-LBPRGKRZSA-N 1 0 278.787 2.280 10 0 CEAERO CCn1ncc(Cl)c1[C@H](Cc1c(C)nn(C)c1C)[NH2+]C ZINC000097420520 185600513 /nfs/dbraw/zinc/60/05/13/185600513.db2.gz AWCCOLWMQQWPQK-ZDUSSCGKSA-N 1 0 295.818 2.410 10 0 CEAERO COC(=O)C[C@@H](c1cccc2cccnc21)[C@@H](C)[NH3+] ZINC000097431181 185601164 /nfs/dbraw/zinc/60/11/64/185601164.db2.gz DECIDBJVQPXPFN-ZWNOBZJWSA-N 1 0 258.321 2.229 10 0 CEAERO COc1ncc(Cl)c(N[C@@H](C)CCCC[NH3+])n1 ZINC000310245261 201869234 /nfs/dbraw/zinc/86/92/34/201869234.db2.gz MSCIVRATGSTNCZ-QMMMGPOBSA-N 1 0 258.753 2.068 10 0 CEAERO C[C@H]1CN(Cc2ccn(C3CCCC3)n2)C[C@H](C)[NH2+]1 ZINC000085180940 178964445 /nfs/dbraw/zinc/96/44/45/178964445.db2.gz FDQJPUUSXQJTEG-STQMWFEESA-N 1 0 262.401 2.180 10 0 CEAERO CN(CC[C@](C)(CO)[NH2+]C1CC1)c1ccc(F)cc1 ZINC000085214321 178978826 /nfs/dbraw/zinc/97/88/26/178978826.db2.gz HPEVLNWSYXRFGV-OAHLLOKOSA-N 1 0 266.360 2.155 10 0 CEAERO C[NH2+][C@](C)(CO)CCCCN(C)c1ccc(F)cc1 ZINC000085214374 178978833 /nfs/dbraw/zinc/97/88/33/178978833.db2.gz DNHDCYALBPBWBO-HNNXBMFYSA-N 1 0 268.376 2.403 10 0 CEAERO c1nc2c(c(N3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)n1)CCCC2 ZINC000094872482 136514920 /nfs/dbraw/zinc/51/49/20/136514920.db2.gz JLQSEXFDYRVJRU-JKSUJKDBSA-N 1 0 286.423 2.466 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)CN(CC(F)(F)F)C(C)C ZINC000085241524 178981393 /nfs/dbraw/zinc/98/13/93/178981393.db2.gz QMDKIMVNFRTPKE-NSHDSACASA-N 1 0 270.339 2.008 10 0 CEAERO CCc1nnc(CN(C)[C@@H](C)Cc2ccc(O)cc2)n1C ZINC000177991866 232367708 /nfs/dbraw/zinc/36/77/08/232367708.db2.gz FOICHEWFZDBBPW-LBPRGKRZSA-N 1 0 288.395 2.146 10 0 CEAERO CC[NH2+][C@@](C)(CO)C[C@@H](C)N(CC)CC(F)(F)F ZINC000085241581 178981829 /nfs/dbraw/zinc/98/18/29/178981829.db2.gz IJIJNSMBQIGNOD-GHMZBOCLSA-N 1 0 270.339 2.010 10 0 CEAERO CCC(CC)([C@H](CC1CCOCC1)NN)[NH+]1CCCC1 ZINC000097587123 185632692 /nfs/dbraw/zinc/63/26/92/185632692.db2.gz DCHIZGDIQUNCDF-HNNXBMFYSA-N 1 0 283.460 2.290 10 0 CEAERO CCC(CC)([C@@H](Cc1ccc(F)c(F)c1)NN)[NH+](C)C ZINC000097586572 185632859 /nfs/dbraw/zinc/63/28/59/185632859.db2.gz DHYMKKWTEYMSLH-CQSZACIVSA-N 1 0 285.382 2.460 10 0 CEAERO CCC[NH2+][C@@](C)(CO)COc1ccc2c(c1)CCC2 ZINC000085282570 179000158 /nfs/dbraw/zinc/00/01/58/179000158.db2.gz GSFKOCJNRKSUQK-INIZCTEOSA-N 1 0 263.381 2.305 10 0 CEAERO OC[C@H](COc1ccccc1C(F)(F)F)[NH2+]C1CC1 ZINC000085282975 179000974 /nfs/dbraw/zinc/00/09/74/179000974.db2.gz DYLCXMZHHBFTFJ-SNVBAGLBSA-N 1 0 275.270 2.197 10 0 CEAERO C[NH2+][C@@H](CO)COc1ccc(C)cc1C(C)(C)C ZINC000085283160 179001064 /nfs/dbraw/zinc/00/10/64/179001064.db2.gz ASEJRRDTZUCTAP-LBPRGKRZSA-N 1 0 251.370 2.252 10 0 CEAERO CCOc1ccccc1O[C@H](C)C[C@](C)(CO)[NH2+]C ZINC000085283748 179001491 /nfs/dbraw/zinc/00/14/91/179001491.db2.gz FCVZGYFKLDMLHD-IUODEOHRSA-N 1 0 267.369 2.213 10 0 CEAERO C[NH2+][C@@](C)(CO)C[C@H](C)Oc1cccc(C)c1C ZINC000085283872 179001619 /nfs/dbraw/zinc/00/16/19/179001619.db2.gz YHZJUIWFVXSAIV-SWLSCSKDSA-N 1 0 251.370 2.431 10 0 CEAERO CCC(C)(C)c1ccc(OC[C@@](C)([NH3+])CO)cc1 ZINC000085284492 179001929 /nfs/dbraw/zinc/00/19/29/179001929.db2.gz MBABANUHWAKGFR-HNNXBMFYSA-N 1 0 251.370 2.463 10 0 CEAERO CC[NH2+][C@H](CO)COc1ccc(C(C)(C)C)cc1 ZINC000085284315 179002096 /nfs/dbraw/zinc/00/20/96/179002096.db2.gz DOCWIJXHVBTRSG-CYBMUJFWSA-N 1 0 251.370 2.333 10 0 CEAERO CC[NH2+][C@](C)(CO)C[C@H](C)n1cnc2ccccc21 ZINC000085263560 178994322 /nfs/dbraw/zinc/99/43/22/178994322.db2.gz QAENLEBPHZRNBJ-WFASDCNBSA-N 1 0 261.369 2.348 10 0 CEAERO C[C@]([NH3+])(CO)CCCCOc1cccc(F)c1F ZINC000085266353 178996863 /nfs/dbraw/zinc/99/68/63/178996863.db2.gz ZOKCPFBRWNXOOS-CYBMUJFWSA-N 1 0 259.296 2.224 10 0 CEAERO CCC[NH2+][C@](CO)(COC1CCCCC1)C1CC1 ZINC000085282665 178999930 /nfs/dbraw/zinc/99/99/30/178999930.db2.gz LWFQHDDYRZDKQD-OAHLLOKOSA-N 1 0 255.402 2.476 10 0 CEAERO CCCOC[C@@](CO)([NH2+]C(C)C)c1ccccc1 ZINC000085286609 179004256 /nfs/dbraw/zinc/00/42/56/179004256.db2.gz KOOXIAOMDSTRPX-OAHLLOKOSA-N 1 0 251.370 2.299 10 0 CEAERO C[NH2+][C@@](CO)(CO[C@H]1CC[C@@H](C)[C@@H](C)C1)C1CC1 ZINC000085287034 179004535 /nfs/dbraw/zinc/00/45/35/179004535.db2.gz XLNJQMBDRHWRNF-DHMWGJHJSA-N 1 0 255.402 2.188 10 0 CEAERO C[C@H](C[C@@](C)(CO)[NH2+]C1CC1)SC1CCOCC1 ZINC000085290178 179006466 /nfs/dbraw/zinc/00/64/66/179006466.db2.gz KRDQWKIPZZWDRV-RISCZKNCSA-N 1 0 273.442 2.180 10 0 CEAERO C[NH2+][C@@](CO)(CSc1cccc(OC)c1)C1CC1 ZINC000085291164 179007068 /nfs/dbraw/zinc/00/70/68/179007068.db2.gz QAFJMWCKITXKPN-AWEZNQCLSA-N 1 0 267.394 2.148 10 0 CEAERO C[NH2+][C@](C)(CO)CCSc1ccc(OC)cc1 ZINC000085291867 179007218 /nfs/dbraw/zinc/00/72/18/179007218.db2.gz VVJXPVJVKVPQQX-ZDUSSCGKSA-N 1 0 255.383 2.148 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)C[C@@H](C)Sc1nncs1 ZINC000085292486 179007580 /nfs/dbraw/zinc/00/75/80/179007580.db2.gz ZEGGDVKSCVHRTE-MWLCHTKSSA-N 1 0 275.443 2.158 10 0 CEAERO [NH3+][C@](CO)(CSc1nc2ccccc2o1)C1CC1 ZINC000085292358 179008030 /nfs/dbraw/zinc/00/80/30/179008030.db2.gz RZZMGCXCYDGMCZ-CYBMUJFWSA-N 1 0 264.350 2.020 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)C[C@H](C)Sc1ncccn1 ZINC000085292781 179008516 /nfs/dbraw/zinc/00/85/16/179008516.db2.gz RHGWARWJZMFOFJ-WCQYABFASA-N 1 0 269.414 2.096 10 0 CEAERO C[NH2+][C@H](CO)CCSc1nc2ccccc2s1 ZINC000085298765 179009039 /nfs/dbraw/zinc/00/90/39/179009039.db2.gz LISAZQYOFUCHMD-VIFPVBQESA-N 1 0 268.407 2.359 10 0 CEAERO Cc1cnc(S[C@@H](C)C[C@](C)(CO)[NH2+]C2CC2)nc1 ZINC000085297782 179009399 /nfs/dbraw/zinc/00/93/99/179009399.db2.gz QBNPCSVMBGRLSQ-SMDDNHRTSA-N 1 0 281.425 2.159 10 0 CEAERO Cc1ccc(N(C)CCCC[C@](C)(O)C[NH3+])cc1 ZINC000085303379 179011047 /nfs/dbraw/zinc/01/10/47/179011047.db2.gz VVDRECKNEJTGLZ-HNNXBMFYSA-N 1 0 250.386 2.311 10 0 CEAERO Cc1ccc(OC[C@@](O)(C[NH3+])c2ccccc2)cc1 ZINC000085305937 179011971 /nfs/dbraw/zinc/01/19/71/179011971.db2.gz XUXZRLCSTUYTEP-INIZCTEOSA-N 1 0 257.333 2.220 10 0 CEAERO C[C@H](C[C@@](C)(O)C[NH3+])n1ccnc1-c1ccccc1 ZINC000085304762 179011974 /nfs/dbraw/zinc/01/19/74/179011974.db2.gz GBNUOAOQBLTAQS-IUODEOHRSA-N 1 0 259.353 2.211 10 0 CEAERO CC(C)(C)c1cccc(OC[C@](O)(C[NH3+])C2CC2)c1 ZINC000085307546 179012535 /nfs/dbraw/zinc/01/25/35/179012535.db2.gz YFGQZMDDGKFYSG-MRXNPFEDSA-N 1 0 263.381 2.463 10 0 CEAERO Cc1nn(C)c(CSC[C@H](C)C[NH3+])c1Br ZINC000085320226 179014096 /nfs/dbraw/zinc/01/40/96/179014096.db2.gz RCSBXARUIKVMHV-SSDOTTSWSA-N 1 0 292.246 2.319 10 0 CEAERO CCC[NH2+][C@H](CCO)c1ccc2c(c1)OCCCO2 ZINC000085320568 179014472 /nfs/dbraw/zinc/01/44/72/179014472.db2.gz QEKIDMMZACQFAZ-CYBMUJFWSA-N 1 0 265.353 2.271 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1c1nnc2ccc(C(F)(F)F)cn21 ZINC000085324970 179017796 /nfs/dbraw/zinc/01/77/96/179017796.db2.gz JLZTZDQSQWLBPQ-BDAKNGLRSA-N 1 0 270.258 2.343 10 0 CEAERO COc1ccc(C)cc1NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085356306 179030215 /nfs/dbraw/zinc/03/02/15/179030215.db2.gz JVBZNBDLOWQTRC-NEPJUHHUSA-N 1 0 262.353 2.460 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)NCc1ccc(Cl)cc1 ZINC000085357622 179030951 /nfs/dbraw/zinc/03/09/51/179030951.db2.gz CXUORNUZSOJWNF-STQMWFEESA-N 1 0 266.772 2.474 10 0 CEAERO COC(=O)c1cc(Cl)ccc1NC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085360400 179032397 /nfs/dbraw/zinc/03/23/97/179032397.db2.gz NCEHNADKAPIORD-ONGXEEELSA-N 1 0 296.754 2.193 10 0 CEAERO Cc1cc(N(C)C)ccc1NC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085360279 179032442 /nfs/dbraw/zinc/03/24/42/179032442.db2.gz NPDMTKZFDWETJD-CHWSQXEVSA-N 1 0 261.369 2.127 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000085360363 179032577 /nfs/dbraw/zinc/03/25/77/179032577.db2.gz ASYFOAFQBVVENU-CABCVRRESA-N 1 0 284.363 2.328 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1[NH3+])c1ccc2c(c1)OCO2 ZINC000085361475 179033125 /nfs/dbraw/zinc/03/31/25/179033125.db2.gz VHWHYSSAFUXVFI-UHTWSYAYSA-N 1 0 290.363 2.110 10 0 CEAERO C[C@H](Cc1cccs1)NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085361758 179033419 /nfs/dbraw/zinc/03/34/19/179033419.db2.gz JQVMGWMVGKCQOD-RTXFEEFZSA-N 1 0 266.410 2.313 10 0 CEAERO CCOc1cccc(CNC(=O)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000085365158 179036187 /nfs/dbraw/zinc/03/61/87/179036187.db2.gz FOZSEEDMESYRCX-GJZGRUSLSA-N 1 0 276.380 2.219 10 0 CEAERO CC[C@H](NC(=O)[C@H]1CCC[C@@H]1[NH3+])c1ccc(OC)cc1 ZINC000085362894 179034211 /nfs/dbraw/zinc/03/42/11/179034211.db2.gz XGUDRBRROFPNLJ-KKUMJFAQSA-N 1 0 276.380 2.390 10 0 CEAERO CSc1cccc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000085355246 179030105 /nfs/dbraw/zinc/03/01/05/179030105.db2.gz JYGRJGVGPWUIMF-RYUDHWBXSA-N 1 0 250.367 2.474 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)Nc1cccc2n[nH]cc21 ZINC000085366223 179036908 /nfs/dbraw/zinc/03/69/08/179036908.db2.gz KXJLZTMDMGYSJP-GXSJLCMTSA-N 1 0 258.325 2.019 10 0 CEAERO CN(Cc1cccc(Cl)c1)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085366688 179036918 /nfs/dbraw/zinc/03/69/18/179036918.db2.gz KBDYRYRQZLPOAV-STQMWFEESA-N 1 0 266.772 2.426 10 0 CEAERO COCCN(Cc1ccccc1)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085366521 179037138 /nfs/dbraw/zinc/03/71/38/179037138.db2.gz FSKCXLOWUAEFLY-JKSUJKDBSA-N 1 0 290.407 2.179 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)N(Cc1ccccn1)C1CC1 ZINC000085367579 179037433 /nfs/dbraw/zinc/03/74/33/179037433.db2.gz SXHAIXDARIFRGM-LSDHHAIUSA-N 1 0 273.380 2.090 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)N(Cc1ccccn1)C1CC1 ZINC000085367575 179037694 /nfs/dbraw/zinc/03/76/94/179037694.db2.gz SXHAIXDARIFRGM-GJZGRUSLSA-N 1 0 273.380 2.090 10 0 CEAERO Cc1ccccc1OCCN(C)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085367439 179037811 /nfs/dbraw/zinc/03/78/11/179037811.db2.gz SWOVCBZVNOTUJU-GJZGRUSLSA-N 1 0 290.407 2.350 10 0 CEAERO COc1ccccc1[C@H](C)N(C)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085368146 179038161 /nfs/dbraw/zinc/03/81/61/179038161.db2.gz YYUGCOIBMJTFJI-YUTCNCBUSA-N 1 0 276.380 2.342 10 0 CEAERO CCC1CCC(CNC(=O)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085369589 179039349 /nfs/dbraw/zinc/03/93/49/179039349.db2.gz VFSMJAHFRINFAY-HOAMVYINSA-N 1 0 252.402 2.446 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)NCc1cc2c(s1)CCC2 ZINC000085370590 179040515 /nfs/dbraw/zinc/04/05/15/179040515.db2.gz BJEPRMSLIJSKOS-CHWSQXEVSA-N 1 0 278.421 2.371 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000085370692 179040664 /nfs/dbraw/zinc/04/06/64/179040664.db2.gz NNUBJDDFSXIIMB-KGLIPLIRSA-N 1 0 287.363 2.101 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1ccc(-c2nnco2)cc1 ZINC000085370990 179041283 /nfs/dbraw/zinc/04/12/83/179041283.db2.gz SLZAEJFRMOMPCF-CHWSQXEVSA-N 1 0 286.335 2.193 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1cccc(-c2nnco2)c1 ZINC000085370996 179041419 /nfs/dbraw/zinc/04/14/19/179041419.db2.gz VZAMANNXGBIGDM-OLZOCXBDSA-N 1 0 286.335 2.193 10 0 CEAERO CCOC(=O)c1cccc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000085371888 179041771 /nfs/dbraw/zinc/04/17/71/179041771.db2.gz NCXAAYVMIIMXEQ-KBPBESRZSA-N 1 0 290.363 2.319 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000085371957 179041849 /nfs/dbraw/zinc/04/18/49/179041849.db2.gz HDLRUYQFZGKGTP-ZIAGYGMSSA-N 1 0 287.363 2.101 10 0 CEAERO CC[C@H]1COCCN1c1cccc(F)c1[C@H](C)[NH3+] ZINC000109567782 136530069 /nfs/dbraw/zinc/53/00/69/136530069.db2.gz YNARWWZQRPIDFZ-QWRGUYRKSA-N 1 0 252.333 2.461 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1cc(F)cc(F)c1F ZINC000085374325 179043433 /nfs/dbraw/zinc/04/34/33/179043433.db2.gz SDZXZLNUODJZGJ-VXNVDRBHSA-N 1 0 258.243 2.170 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)Nc1cc(F)cc(F)c1F ZINC000085374321 179043467 /nfs/dbraw/zinc/04/34/67/179043467.db2.gz SDZXZLNUODJZGJ-APPZFPTMSA-N 1 0 258.243 2.170 10 0 CEAERO COC(C[NH2+][C@@H]1C[C@H](OCC(C)C)C1(C)C)OC ZINC000085400641 179051562 /nfs/dbraw/zinc/05/15/62/179051562.db2.gz LSWXZYMAQHSPIQ-NEPJUHHUSA-N 1 0 259.390 2.035 10 0 CEAERO C[C@@H]1CCC[C@H](C)N1C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000097813931 185670768 /nfs/dbraw/zinc/67/07/68/185670768.db2.gz QNXHFJNTQCQKEF-JFGNBEQYSA-N 1 0 278.318 2.318 10 0 CEAERO Cc1cc(Cn2cnc([C@@H](C)[NH3+])n2)c2ccccc2n1 ZINC000097832106 185672570 /nfs/dbraw/zinc/67/25/70/185672570.db2.gz UITFTQMXQLWQQQ-LLVKDONJSA-N 1 0 267.336 2.203 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+][C@@H]2CCCN(CC)C2)C1(C)C ZINC000085397733 179050051 /nfs/dbraw/zinc/05/00/51/179050051.db2.gz GXHIUYHMCXDKLT-MCIONIFRSA-N 1 0 254.418 2.264 10 0 CEAERO Fc1ccc(-c2ccc(N3CCC[NH2+]CC3)nn2)cc1 ZINC000062203421 362714694 /nfs/dbraw/zinc/71/46/94/362714694.db2.gz TVZTWOXLQGQVPB-UHFFFAOYSA-N 1 0 272.327 2.082 10 0 CEAERO C[C@H](C[NH+]1CCCC1)Nc1ncncc1Br ZINC000085465459 179071144 /nfs/dbraw/zinc/07/11/44/179071144.db2.gz CJLQRODKEGBPND-SECBINFHSA-N 1 0 285.189 2.135 10 0 CEAERO CC[C@H]1CNC(C)(C)C[N@@H+]1[C@@H]1CCC[C@H](OC)C1 ZINC000085469325 179074506 /nfs/dbraw/zinc/07/45/06/179074506.db2.gz HELGPQQVDGUQKL-MJBXVCDLSA-N 1 0 254.418 2.406 10 0 CEAERO CCC[C@@H]1C[NH2+][C@H](C(C)C)CN1C[C@@H]1CCCO1 ZINC000085450762 179065071 /nfs/dbraw/zinc/06/50/71/179065071.db2.gz BUCCOMIDNAFLDD-ILXRZTDVSA-N 1 0 254.418 2.264 10 0 CEAERO COc1ccc(C)cc1CN1CC[NH2+]C[C@H]1C1CC1 ZINC000085451331 179065467 /nfs/dbraw/zinc/06/54/67/179065467.db2.gz UARZQHWIHKPAED-HNNXBMFYSA-N 1 0 260.381 2.187 10 0 CEAERO CCC(CC)CNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247470399 539539430 /nfs/dbraw/zinc/53/94/30/539539430.db2.gz VFJHICNPBDIPIR-TZMCWYRMSA-N 1 0 269.433 2.451 10 0 CEAERO CO[C@H]1CCC[C@@H]([N@@H+]2CCNC[C@@]2(C)C2CC2)C1 ZINC000085452571 179066229 /nfs/dbraw/zinc/06/62/29/179066229.db2.gz OGXCXZPSXOLFDG-ILXRZTDVSA-N 1 0 252.402 2.018 10 0 CEAERO C[C@@H]1CN(CCCOCC(F)(F)F)C(C)(C)C[NH2+]1 ZINC000085454018 179067107 /nfs/dbraw/zinc/06/71/07/179067107.db2.gz VWIKIPNJTVLQGV-SNVBAGLBSA-N 1 0 268.323 2.028 10 0 CEAERO CCn1cc(CN2C[C@@H](C)[NH2+]CC23CCCC3)cn1 ZINC000085454421 179067949 /nfs/dbraw/zinc/06/79/49/179067949.db2.gz MFNJSPFFEYILLU-CYBMUJFWSA-N 1 0 262.401 2.010 10 0 CEAERO CCOCCN1C[C@@H](C)[NH2+]C[C@@]1(C)c1ccccc1 ZINC000085454539 179068025 /nfs/dbraw/zinc/06/80/25/179068025.db2.gz CFJGFKINNSWDDH-ZBFHGGJFSA-N 1 0 262.397 2.232 10 0 CEAERO CCC[C@H]1CN[C@H](CC)C[N@@H+]1CC1CCOCC1 ZINC000085472796 179076922 /nfs/dbraw/zinc/07/69/22/179076922.db2.gz KFJHHBCFWBSHPW-CABCVRRESA-N 1 0 254.418 2.266 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@H](CC)CN1CCOCC(F)(F)F ZINC000085472590 179077360 /nfs/dbraw/zinc/07/73/60/179077360.db2.gz SBRGGWRZYTTXEY-NWDGAFQWSA-N 1 0 282.350 2.418 10 0 CEAERO CC[C@@H](C)[C@H]1C[N@H+](C[C@@H]2CCOC2)[C@H](C2CC2)CN1 ZINC000085492252 179082189 /nfs/dbraw/zinc/08/21/89/179082189.db2.gz CGOFXWBVVZCHBZ-CLWVCHIJSA-N 1 0 266.429 2.121 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1Cc1cnn(C)c1 ZINC000085475610 179078644 /nfs/dbraw/zinc/07/86/44/179078644.db2.gz AGDKFLQDGQYEPJ-UONOGXRCSA-N 1 0 264.417 2.019 10 0 CEAERO CC[C@H]1CN(CCOC)[C@@](C)(c2ccccc2)C[NH2+]1 ZINC000085475196 179079082 /nfs/dbraw/zinc/07/90/82/179079082.db2.gz CHVAZVMLYAFFHO-JKSUJKDBSA-N 1 0 262.397 2.232 10 0 CEAERO CC[C@H](C)[C@H]1CN[C@H](C(C)(C)C)C[N@@H+]1CCOC ZINC000085476083 179079374 /nfs/dbraw/zinc/07/93/74/179079374.db2.gz WLXJFUQLRZSZAR-MJBXVCDLSA-N 1 0 256.434 2.367 10 0 CEAERO Cc1cc(CCCCCN2CC[NH2+]CC2)c(C)n1C ZINC000098160317 185694387 /nfs/dbraw/zinc/69/43/87/185694387.db2.gz FYUBCWSKEAPLND-UHFFFAOYSA-N 1 0 263.429 2.260 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1CNc1ncncc1Br ZINC000085480862 179080547 /nfs/dbraw/zinc/08/05/47/179080547.db2.gz FMGLDZZQRPXGHO-IUCAKERBSA-N 1 0 285.189 2.026 10 0 CEAERO CC[C@H](C)[C@H]1C[N@H+](CCCOC)[C@H](C(C)C)CN1 ZINC000085491327 179080797 /nfs/dbraw/zinc/08/07/97/179080797.db2.gz PXWPYDOWLPJMFW-ZNMIVQPWSA-N 1 0 256.434 2.367 10 0 CEAERO CC(C)C[C@@H]1CN(Cc2cnn(C)c2)C(C)(C)C[NH2+]1 ZINC000085488548 179080875 /nfs/dbraw/zinc/08/08/75/179080875.db2.gz MPNDJVAOEJIZLW-CQSZACIVSA-N 1 0 264.417 2.019 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](CC(C)C)CN1C[C@@H]1CCCO1 ZINC000085487325 179081032 /nfs/dbraw/zinc/08/10/32/179081032.db2.gz MPKQJUHDWDCMTJ-KFWWJZLASA-N 1 0 254.418 2.264 10 0 CEAERO CCC[C@H]1C[NH2+]C(C)(C)CN1Cc1cnn(CC)c1 ZINC000085469635 179075153 /nfs/dbraw/zinc/07/51/53/179075153.db2.gz VDBNEYLCWAQUSQ-AWEZNQCLSA-N 1 0 264.417 2.256 10 0 CEAERO CCOC(=O)c1cccnc1NC[C@@H]([NH3+])c1ccccc1 ZINC000062838516 362723996 /nfs/dbraw/zinc/72/39/96/362723996.db2.gz IVMDDFVPYHGVKR-CQSZACIVSA-N 1 0 285.347 2.370 10 0 CEAERO CC1(C)CN(CCOCC(F)(F)F)[C@H](C2CC2)C[NH2+]1 ZINC000085470568 179076064 /nfs/dbraw/zinc/07/60/64/179076064.db2.gz IGJPIWCJYFJWGD-NSHDSACASA-N 1 0 280.334 2.028 10 0 CEAERO CCOCCN1CC2(CCCCC2)[NH2+]C[C@H]1C1CC1 ZINC000085503188 179084989 /nfs/dbraw/zinc/08/49/89/179084989.db2.gz IONCGRVWXQBUQV-HNNXBMFYSA-N 1 0 266.429 2.410 10 0 CEAERO CC[C@H]1CN[C@@H](c2ccccc2)C[N@@H+]1CCn1cccn1 ZINC000085505280 179085053 /nfs/dbraw/zinc/08/50/53/179085053.db2.gz YOZYBOOTOXFNKO-DLBZAZTESA-N 1 0 284.407 2.308 10 0 CEAERO CC[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1CCn1ccnc1C ZINC000085510330 179085517 /nfs/dbraw/zinc/08/55/17/179085517.db2.gz LSTCYUHNPPGNTL-HZPDHXFCSA-N 1 0 276.428 2.044 10 0 CEAERO CC(C)(C)[C@@H]1C[NH2+][C@](C)(C2CC2)CN1CCn1cccn1 ZINC000085513929 179087013 /nfs/dbraw/zinc/08/70/13/179087013.db2.gz JQSMABXGNXNGIZ-RDJZCZTQSA-N 1 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CC[C@@H]1CC[C@H]([NH2+][C@@H](C)C(=O)N2CCCC2)[C@@H]1C ZINC000086096944 179229452 /nfs/dbraw/zinc/22/94/52/179229452.db2.gz WDJKRSPRUPWHKO-RQJABVFESA-N 1 0 252.402 2.412 10 0 CEAERO c1nc(CCN2CC[NH2+][C@@H](Cc3ccccc3)C2)cs1 ZINC000086149472 179240471 /nfs/dbraw/zinc/24/04/71/179240471.db2.gz LPNKWBGPRYRGHV-INIZCTEOSA-N 1 0 287.432 2.202 10 0 CEAERO COCCCC[N@@H+]1C[C@@H](C(C)C)NC[C@@H]1C(C)C ZINC000086173794 179244238 /nfs/dbraw/zinc/24/42/38/179244238.db2.gz OECNSKAOEPLIJW-LSDHHAIUSA-N 1 0 256.434 2.367 10 0 CEAERO CC[C@H]1CN[C@H](C(C)C)C[N@@H+]1C[C@@H]1CCCOC1 ZINC000086173978 179244729 /nfs/dbraw/zinc/24/47/29/179244729.db2.gz ZOHOJESINVKSDD-KKUMJFAQSA-N 1 0 254.418 2.121 10 0 CEAERO CC(C)[C@@H]1C[N@H+]([C@@H]2CCCOC2)[C@@H](C(C)C)CN1 ZINC000086175691 179245682 /nfs/dbraw/zinc/24/56/82/179245682.db2.gz MRENFKSXFNAVLZ-QLFBSQMISA-N 1 0 254.418 2.120 10 0 CEAERO COCC[C@H](C)[N@@H+]1C[C@@H](C(C)C)NC[C@@H]1C(C)C ZINC000086176605 179246559 /nfs/dbraw/zinc/24/65/59/179246559.db2.gz FPRZNUPDHKSLDA-SOUVJXGZSA-N 1 0 256.434 2.366 10 0 CEAERO c1ccc([C@@H]2C[NH2+]CCN2CCc2ccncc2)cc1 ZINC000086177271 179246628 /nfs/dbraw/zinc/24/66/28/179246628.db2.gz AEVVWTNJAGANIK-KRWDZBQOSA-N 1 0 267.376 2.271 10 0 CEAERO CCOC[C@H](C)[N@@H+]1CCN[C@@](C)(c2ccccc2)C1 ZINC000086146016 179239203 /nfs/dbraw/zinc/23/92/03/179239203.db2.gz ZTPZRWXMKFBXJY-GOEBONIOSA-N 1 0 262.397 2.232 10 0 CEAERO c1cc(CN2CC[NH2+]C3(CCCC3)C2)cc2c1OCO2 ZINC000086148214 179239463 /nfs/dbraw/zinc/23/94/63/179239463.db2.gz UBJPBRYJDBVGET-UHFFFAOYSA-N 1 0 274.364 2.133 10 0 CEAERO CC[C@@]1(C)CN(CCc2nc(C)cs2)CC[NH2+]1 ZINC000086148851 179239877 /nfs/dbraw/zinc/23/98/77/179239877.db2.gz JOOSGUVHEDAGAF-ZDUSSCGKSA-N 1 0 253.415 2.068 10 0 CEAERO CC[C@@H]1CN[C@H](C2CC2)C[N@@H+]1[C@@H](C)[C@@H]1CCCO1 ZINC000086218201 179249372 /nfs/dbraw/zinc/24/93/72/179249372.db2.gz KAHHLODEJZFPDL-ATGSNQNLSA-N 1 0 252.402 2.016 10 0 CEAERO CC[C@H]1C[NH2+][C@@](C)(C2CC2)CN1CCc1ccccn1 ZINC000086221423 179250605 /nfs/dbraw/zinc/25/06/05/179250605.db2.gz CYYQFPHHBWBAAN-DLBZAZTESA-N 1 0 273.424 2.477 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C2CC2)CN1Cc1nc(C)cs1 ZINC000086227047 179252845 /nfs/dbraw/zinc/25/28/45/179252845.db2.gz DJODIWHYSVBUCR-QWHCGFSZSA-N 1 0 265.426 2.414 10 0 CEAERO Cc1ncc(CN2C[C@H](C3CC3)[NH2+]C[C@@H]2C)s1 ZINC000086226776 179253211 /nfs/dbraw/zinc/25/32/11/179253211.db2.gz KWYXQDDEDCJRRY-TVQRCGJNSA-N 1 0 251.399 2.024 10 0 CEAERO CC(C)C[C@H]1CN(Cc2nccs2)[C@@H](C)C[NH2+]1 ZINC000086226869 179253549 /nfs/dbraw/zinc/25/35/49/179253549.db2.gz ZWEPTVINCGPMHV-RYUDHWBXSA-N 1 0 253.415 2.352 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](CC(C)C)CN1c1cnn(CCOC)c1 ZINC000086227271 179254238 /nfs/dbraw/zinc/25/42/38/179254238.db2.gz OJTMQLFPKUUHPW-GJZGRUSLSA-N 1 0 294.443 2.132 10 0 CEAERO COCCCC[N@@H+]1C[C@@H](C2CC2)NC[C@@H]1C(C)C ZINC000086259426 179258194 /nfs/dbraw/zinc/25/81/94/179258194.db2.gz PVCLLODAJKTZHH-LSDHHAIUSA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@@H]1C[NH2+][C@@](C)(CC)CN1Cc1cc(C)no1 ZINC000086260393 179259112 /nfs/dbraw/zinc/25/91/12/179259112.db2.gz KONCSHDRUASXJH-OCCSQVGLSA-N 1 0 251.374 2.336 10 0 CEAERO Cc1noc(CN2C[C@@](C)(c3ccccc3)[NH2+]C[C@@H]2C)n1 ZINC000086260319 179259558 /nfs/dbraw/zinc/25/95/58/179259558.db2.gz NPLOIKPNNZHWLP-LRDDRELGSA-N 1 0 286.379 2.087 10 0 CEAERO CC[C@@H]1CN[C@@H](C2CC2)C[N@@H+]1[C@@H]1CCC[C@@H]1OC ZINC000086261355 179259775 /nfs/dbraw/zinc/25/97/75/179259775.db2.gz VFRCPBBGDQRZJW-TUVASFSCSA-N 1 0 252.402 2.016 10 0 CEAERO CC(C)n1cc(N2C[C@](C)(C3CC3)[NH2+]C[C@@H]2C)cn1 ZINC000086263456 179260132 /nfs/dbraw/zinc/26/01/32/179260132.db2.gz WKGGWOZICXKLPC-SWLSCSKDSA-N 1 0 262.401 2.431 10 0 CEAERO CC[C@H]1C[NH2+]C(C)(C)CN1C[C@@H]1Cc2ccccc2O1 ZINC000086261714 179260227 /nfs/dbraw/zinc/26/02/27/179260227.db2.gz NEOFXAQZDUSQTC-GJZGRUSLSA-N 1 0 274.408 2.453 10 0 CEAERO Cc1cccc(OCCN2CCC[NH2+][C@H](C3CC3)C2)c1 ZINC000086291109 179265471 /nfs/dbraw/zinc/26/54/71/179265471.db2.gz NLSQRWMDWOEEOU-KRWDZBQOSA-N 1 0 274.408 2.448 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C2CC2)CN1CCc1nc(C)cs1 ZINC000086264221 179260980 /nfs/dbraw/zinc/26/09/80/179260980.db2.gz WTPYSMSINPJQSD-KGLIPLIRSA-N 1 0 279.453 2.456 10 0 CEAERO C[C@@H]1C[NH2+][C@H](C2CCCCC2)CN1[C@@H]1CCCOC1 ZINC000086265183 179261957 /nfs/dbraw/zinc/26/19/57/179261957.db2.gz QNAREQUOSLRGQP-BMFZPTHFSA-N 1 0 266.429 2.408 10 0 CEAERO [NH3+]C[C@H]1CCCCN1c1nc(Br)cs1 ZINC000086290651 179265180 /nfs/dbraw/zinc/26/51/80/179265180.db2.gz UHIXAJGWKKQFIV-SSDOTTSWSA-N 1 0 276.203 2.223 10 0 CEAERO CC[C@H](C)[C@@H]1CN(Cc2nccs2)CCC[NH2+]1 ZINC000086289973 179264175 /nfs/dbraw/zinc/26/41/75/179264175.db2.gz WSOPRYRBGFVZOT-RYUDHWBXSA-N 1 0 253.415 2.353 10 0 CEAERO CC[C@H](C[NH3+])Nc1nc(Br)cs1 ZINC000086290978 179265266 /nfs/dbraw/zinc/26/52/66/179265266.db2.gz MUUUVZCUKZIMDZ-RXMQYKEDSA-N 1 0 250.165 2.055 10 0 CEAERO CC[C@H]1C[N@H+](CC[C@@H]2CCCO2)[C@H](C(C)C)CN1 ZINC000086258877 179256804 /nfs/dbraw/zinc/25/68/04/179256804.db2.gz BSAAMZGJKJBJFQ-KKUMJFAQSA-N 1 0 254.418 2.264 10 0 CEAERO Brc1csc(N[C@H]2CCC[NH2+]C2)n1 ZINC000086290805 179265348 /nfs/dbraw/zinc/26/53/48/179265348.db2.gz ULZRKYPQJPYOJE-LURJTMIESA-N 1 0 262.176 2.070 10 0 CEAERO C[C@H]1CNC2(CCCC2)C[N@@H+]1CC[C@@H]1CCCO1 ZINC000086258891 179257306 /nfs/dbraw/zinc/25/73/06/179257306.db2.gz SKXBMGFMPIKRSC-KBPBESRZSA-N 1 0 252.402 2.162 10 0 CEAERO CC(C)N1C(=O)C[C@@H]([NH3+])[C@H]1c1ccc2ccccc2n1 ZINC000086317445 179270108 /nfs/dbraw/zinc/27/01/08/179270108.db2.gz CKPKBXQTHCMTHH-WBMJQRKESA-N 1 0 269.348 2.244 10 0 CEAERO Cc1nccc(CN2CCC[NH2+]C3(CCCCC3)C2)n1 ZINC000086292527 179266972 /nfs/dbraw/zinc/26/69/72/179266972.db2.gz GJXUXOOGAHCAAZ-UHFFFAOYSA-N 1 0 274.412 2.283 10 0 CEAERO COCCC1(c2ccc(Br)cc2)C[NH2+]C1 ZINC000086396463 179285023 /nfs/dbraw/zinc/28/50/23/179285023.db2.gz RMRQWIHDPAVXRS-UHFFFAOYSA-N 1 0 270.170 2.327 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](NCc2ccccc2Br)C1 ZINC000086399739 179285330 /nfs/dbraw/zinc/28/53/30/179285330.db2.gz DLKHUQHXJJBKJY-GHMZBOCLSA-N 1 0 269.186 2.419 10 0 CEAERO [NH3+][C@@H]1CCC[C@H](Oc2ccc(Br)cn2)C1 ZINC000086408908 179285694 /nfs/dbraw/zinc/28/56/94/179285694.db2.gz VRPJQASCCGYDNT-ZJUUUORDSA-N 1 0 271.158 2.493 10 0 CEAERO C[C@H]1CN(c2nc3c(s2)CCC[C@@H]3[NH3+])CC(C)(C)O1 ZINC000086443636 179293804 /nfs/dbraw/zinc/29/38/04/179293804.db2.gz XXOZILYBHXVLML-UWVGGRQHSA-N 1 0 281.425 2.483 10 0 CEAERO CN(c1nc2c(s1)CCC[C@@H]2[NH3+])[C@@H]1CCSC1 ZINC000086442605 179293923 /nfs/dbraw/zinc/29/39/23/179293923.db2.gz XQARPNPRPNRPGM-BDAKNGLRSA-N 1 0 269.439 2.421 10 0 CEAERO CCC[NH2+][C@H]1CCCc2sc(N3CCOCC3)nc21 ZINC000086442118 179293986 /nfs/dbraw/zinc/29/39/86/179293986.db2.gz RZYZLYHNAUZKFX-NSHDSACASA-N 1 0 281.425 2.357 10 0 CEAERO CC[C@@H]1CN(C(=O)c2ccc(F)cc2)[C@H](CC)C[NH2+]1 ZINC000086446409 179294492 /nfs/dbraw/zinc/29/44/92/179294492.db2.gz PJMRTAHKBAKTFE-ZIAGYGMSSA-N 1 0 264.344 2.428 10 0 CEAERO CC[C@H]1CN(C(=O)c2ccsc2)[C@@H](CC)C[NH2+]1 ZINC000086446032 179295086 /nfs/dbraw/zinc/29/50/86/179295086.db2.gz PQKFTEPANLZBFS-RYUDHWBXSA-N 1 0 252.383 2.351 10 0 CEAERO CCC[NH2+][C@H]1CCCc2sc(-c3nc[nH]n3)nc21 ZINC000086439987 179292905 /nfs/dbraw/zinc/29/29/05/179292905.db2.gz MHQWEMPFCOKVAQ-QMMMGPOBSA-N 1 0 263.370 2.305 10 0 CEAERO CC1(C)C[NH+]=C(N)N1c1ccccc1Br ZINC000086474524 179300696 /nfs/dbraw/zinc/30/06/96/179300696.db2.gz YGSRFQWJDZKHCQ-UHFFFAOYSA-N 1 0 268.158 2.362 10 0 CEAERO C[C@@H](CC[NH+](C)C)Nc1ncc(N)cc1Br ZINC000086481100 179301012 /nfs/dbraw/zinc/30/10/12/179301012.db2.gz XOAHJQIYWMBZTM-QMMMGPOBSA-N 1 0 287.205 2.178 10 0 CEAERO c1ccc2c(c1)C[C@@H]2c1noc(C[C@H]2CCC[NH2+]2)n1 ZINC000086486282 179301566 /nfs/dbraw/zinc/30/15/66/179301566.db2.gz MZSHPSUYLGIZON-YPMHNXCESA-N 1 0 255.321 2.052 10 0 CEAERO c1nc(CC[NH2+]Cc2cccc3cccnc32)c[nH]1 ZINC000086507119 179302849 /nfs/dbraw/zinc/30/28/49/179302849.db2.gz ZBNRHPUISLUZGM-UHFFFAOYSA-N 1 0 252.321 2.290 10 0 CEAERO [NH3+][C@H]1COC[C@@H]1c1nc2ccc(Cl)cc2s1 ZINC000086480053 179300218 /nfs/dbraw/zinc/30/02/18/179300218.db2.gz BGHOINTWAKXFPI-YUMQZZPRSA-N 1 0 254.742 2.391 10 0 CEAERO C[NH+](C)C[C@H](O)c1cscc1Br ZINC000086554668 179307431 /nfs/dbraw/zinc/30/74/31/179307431.db2.gz CCSZHHLPGKPISN-QMMMGPOBSA-N 1 0 250.161 2.106 10 0 CEAERO CCC[C@@](C)([NH3+])[C@H]1CS(=O)(=O)c2ccccc21 ZINC000086566768 179307808 /nfs/dbraw/zinc/30/78/08/179307808.db2.gz LXAIGNBREDYYHD-WCQYABFASA-N 1 0 253.367 2.075 10 0 CEAERO [NH3+][C@H]1CCCN(c2cscc2Br)C1 ZINC000086556321 179307873 /nfs/dbraw/zinc/30/78/73/179307873.db2.gz AQAXATJUVLEUHY-ZETCQYMHSA-N 1 0 261.188 2.438 10 0 CEAERO COc1ccc([C@@H]2[C@H](C[NH3+])OCCN2C2CC2)cc1Cl ZINC000086584996 179309423 /nfs/dbraw/zinc/30/94/23/179309423.db2.gz VYWCGGGKRLSYDZ-LSDHHAIUSA-N 1 0 296.798 2.212 10 0 CEAERO Cc1cnc([C@H](C)NC(=O)C[C@@H]([NH3+])c2ccccc2)o1 ZINC000231743553 539581195 /nfs/dbraw/zinc/58/11/95/539581195.db2.gz XZTAXDAJGYMSGB-WCQYABFASA-N 1 0 273.336 2.250 10 0 CEAERO COc1ccc([C@H](C[NH3+])N2CCOCC2(C)C)cc1Cl ZINC000086586607 179310338 /nfs/dbraw/zinc/31/03/38/179310338.db2.gz YFAYFGIKOPIQHG-ZDUSSCGKSA-N 1 0 298.814 2.459 10 0 CEAERO CCCn1c2ccc(C[NH3+])cc2nc1-c1cnccn1 ZINC000086641305 179315204 /nfs/dbraw/zinc/31/52/04/179315204.db2.gz CBQOWKALCWWEGR-UHFFFAOYSA-N 1 0 267.336 2.362 10 0 CEAERO [NH3+]C[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000066054520 362849893 /nfs/dbraw/zinc/84/98/93/362849893.db2.gz RFHWUYIUCANZPA-MRXNPFEDSA-N 1 0 284.359 2.483 10 0 CEAERO CO[C@H](C)[C@H]([NH3+])Cc1cc(F)cc(Br)c1 ZINC000086696442 179320907 /nfs/dbraw/zinc/32/09/07/179320907.db2.gz MHYZAFWFIYVSHS-RDDDGLTNSA-N 1 0 276.149 2.493 10 0 CEAERO COC(=O)CC[NH2+]Cc1cc(F)cc(Br)c1 ZINC000086694533 179320967 /nfs/dbraw/zinc/32/09/67/179320967.db2.gz HVEQFLGLZKXOBE-UHFFFAOYSA-N 1 0 290.132 2.241 10 0 CEAERO COCC[C@@H]([NH3+])Cc1cc(F)cc(Br)c1 ZINC000086696160 179320991 /nfs/dbraw/zinc/32/09/91/179320991.db2.gz UYPWJCSSHUZBKI-LLVKDONJSA-N 1 0 276.149 2.495 10 0 CEAERO C[NH2+][C@@H](Cc1cc(F)cc(Br)c1)CN(C)C ZINC000086696410 179321043 /nfs/dbraw/zinc/32/10/43/179321043.db2.gz BGLNRIOPXVKYEB-LBPRGKRZSA-N 1 0 289.192 2.280 10 0 CEAERO COC[C@@H]([NH2+]C[C@H](O)COCCCC(C)C)C(C)C ZINC000086700595 179321590 /nfs/dbraw/zinc/32/15/90/179321590.db2.gz GSSJCCROEYPAQR-LSDHHAIUSA-N 1 0 275.433 2.061 10 0 CEAERO CS(=O)(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000086671368 179317666 /nfs/dbraw/zinc/31/76/66/179317666.db2.gz OYPASWXGZRZSRW-RBSFLKMASA-N 1 0 279.405 2.229 10 0 CEAERO Cc1[nH]c2ccc(N[C@@H]3CCC[C@@H]3S(C)(=O)=O)cc2[nH+]1 ZINC000086674535 179318593 /nfs/dbraw/zinc/31/85/93/179318593.db2.gz HNHSHKQSVQILDQ-OCCSQVGLSA-N 1 0 293.392 2.249 10 0 CEAERO COC(=O)c1ccccc1C[N@@H+]1CCC[C@@H]1CCCO ZINC000130276638 365940296 /nfs/dbraw/zinc/94/02/96/365940296.db2.gz VGWWOPYUGNZENZ-CQSZACIVSA-N 1 0 277.364 2.210 10 0 CEAERO [NH3+][C@@H](Cc1cc(F)cc(Br)c1)[C@@H]1CCOC1 ZINC000086696341 179320453 /nfs/dbraw/zinc/32/04/53/179320453.db2.gz DPCCEXIGQHSXOG-SKDRFNHKSA-N 1 0 288.160 2.495 10 0 CEAERO CCC(CC)C[NH+]1CCC([N@@H+]2CCC[C@H]2C(=O)[O-])CC1 ZINC000086776304 179328846 /nfs/dbraw/zinc/32/88/46/179328846.db2.gz LPKRHUMEWUPFGY-HNNXBMFYSA-N 1 0 282.428 2.436 10 0 CEAERO CCC[C@H](C)[NH+]1CCC([N@@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000086776340 179329296 /nfs/dbraw/zinc/32/92/96/179329296.db2.gz WMHSBWXJNQUPGP-GXTWGEPZSA-N 1 0 268.401 2.188 10 0 CEAERO CCCNC(=O)COC1(C[NH3+])CCC(C(C)(C)C)CC1 ZINC000086713655 179322584 /nfs/dbraw/zinc/32/25/84/179322584.db2.gz HWRSXRHDQSVGEC-UHFFFAOYSA-N 1 0 284.444 2.463 10 0 CEAERO CCCC1CCC(C[NH3+])(O[C@H](C)C(=O)NCC)CC1 ZINC000086713324 179322690 /nfs/dbraw/zinc/32/26/90/179322690.db2.gz ZFGBVTSLUDQNPN-DNOWBOINSA-N 1 0 270.417 2.215 10 0 CEAERO CC(C)[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000086787786 179333173 /nfs/dbraw/zinc/33/31/73/179333173.db2.gz KLVQGPXCPTUUAG-OCCSQVGLSA-N 1 0 268.401 2.092 10 0 CEAERO COC(=O)c1ccc(N[C@@H]2CCC[N@H+](C)CC2)cc1 ZINC000086817476 179344330 /nfs/dbraw/zinc/34/43/30/179344330.db2.gz ZYBJMRCRKXRKLN-CYBMUJFWSA-N 1 0 262.353 2.369 10 0 CEAERO C[N@@H+]1CCC[C@@H](Nc2ccc3c(c2)OCCO3)CC1 ZINC000086817146 179344458 /nfs/dbraw/zinc/34/44/58/179344458.db2.gz FASIBDSWKCNDFW-GFCCVEGCSA-N 1 0 262.353 2.354 10 0 CEAERO C[N@@H+]1CCC[C@H](Nc2ccc(-n3cccn3)nc2)CC1 ZINC000086817971 179345885 /nfs/dbraw/zinc/34/58/85/179345885.db2.gz TWANYWWBSHBYOA-ZDUSSCGKSA-N 1 0 271.368 2.164 10 0 CEAERO C[N@@H+]1CCC[C@@H](Nc2cccc(NC(N)=O)c2)CC1 ZINC000086818470 179346580 /nfs/dbraw/zinc/34/65/80/179346580.db2.gz WNWURBNVCVSJQR-LLVKDONJSA-N 1 0 262.357 2.073 10 0 CEAERO CCC[N@@H+]1CCC[C@@]([NH2+]C2CCCC2)(C(=O)[O-])CC1 ZINC000086850365 179357518 /nfs/dbraw/zinc/35/75/18/179357518.db2.gz BKHZTTGZAMQYJF-HNNXBMFYSA-N 1 0 268.401 2.238 10 0 CEAERO CC[N@@H+]1CCC[C@H](Nc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000086836294 179351792 /nfs/dbraw/zinc/35/17/92/179351792.db2.gz GEUZIRLIYSVIPV-LBPRGKRZSA-N 1 0 289.379 2.304 10 0 CEAERO COC(=O)C[C@](C)([NH3+])c1ccccc1Br ZINC000086851293 179359677 /nfs/dbraw/zinc/35/96/77/179359677.db2.gz FKSXAZZGUKNBIA-NSHDSACASA-N 1 0 272.142 2.186 10 0 CEAERO COC(=O)C[C@@](C)([NH3+])c1ccc(F)c(Br)c1 ZINC000086851400 179359855 /nfs/dbraw/zinc/35/98/55/179359855.db2.gz STNJSSNVGIWKBU-LLVKDONJSA-N 1 0 290.132 2.325 10 0 CEAERO CCC[NH2+][C@@H](Cc1nc(CCOC)no1)C(C)(C)C ZINC000104063136 185889827 /nfs/dbraw/zinc/88/98/27/185889827.db2.gz ZJWHMEWHWIOVLG-NSHDSACASA-N 1 0 269.389 2.215 10 0 CEAERO CC[C@@H](C)[N@H+](CC(=O)[O-])[C@@H]1CCC[NH+](CC)CC1 ZINC000086868829 179362443 /nfs/dbraw/zinc/36/24/43/179362443.db2.gz YPTWOYNAZMDOSS-CHWSQXEVSA-N 1 0 256.390 2.046 10 0 CEAERO CCC[N@@H+]1CCC[C@@H]([NH+](CC(=O)[O-])C(C)C)CC1 ZINC000086868756 179362454 /nfs/dbraw/zinc/36/24/54/179362454.db2.gz IHDNPOHKDVNXNR-CYBMUJFWSA-N 1 0 256.390 2.046 10 0 CEAERO Cc1ccccc1CN(C)[C@@]1(C[NH3+])CCCOCC1 ZINC000086875078 179364554 /nfs/dbraw/zinc/36/45/54/179364554.db2.gz UDSUSHATXPDHTF-INIZCTEOSA-N 1 0 262.397 2.325 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH3+])Cc1ccc(C)c(C)c1 ZINC000086979467 179373012 /nfs/dbraw/zinc/37/30/12/179373012.db2.gz HOBLWVUWHUAMCV-OAHLLOKOSA-N 1 0 283.437 2.388 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH3+])c1ccccc1F ZINC000086979547 179373299 /nfs/dbraw/zinc/37/32/99/179373299.db2.gz QVLXZOBWAYLNMC-GFCCVEGCSA-N 1 0 259.346 2.040 10 0 CEAERO Cc1nn(C)c(/C=C2\CCC[NH2+]C2)c1Br ZINC000086881322 179365312 /nfs/dbraw/zinc/36/53/12/179365312.db2.gz FIYKAVSEPHYOCZ-RMKNXTFCSA-N 1 0 270.174 2.258 10 0 CEAERO CCOC(=O)C[C@]1([NH+](CC)CC)CCCOCC1 ZINC000086877730 179365457 /nfs/dbraw/zinc/36/54/57/179365457.db2.gz ANUXGHCJAJIWBY-AWEZNQCLSA-N 1 0 257.374 2.221 10 0 CEAERO CC[C@@H]1CCC[C@@](C[NH3+])(N(CCOC)CCOC)CC1 ZINC000086911315 179367127 /nfs/dbraw/zinc/36/71/27/179367127.db2.gz MXELHALOAFGZNC-HZPDHXFCSA-N 1 0 286.460 2.269 10 0 CEAERO CCOC(=O)[C@@]1(N2CC[NH2+]CC2)CCCC(C)(C)CC1 ZINC000086915895 179367341 /nfs/dbraw/zinc/36/73/41/179367341.db2.gz HCGXCYLRRNHVTQ-MRXNPFEDSA-N 1 0 282.428 2.184 10 0 CEAERO C[C@@H]1C[C@@](C[NH3+])(N(C)Cc2ccsc2)CS1 ZINC000086936656 179367658 /nfs/dbraw/zinc/36/76/58/179367658.db2.gz NVRGDRPJZJRFPN-PWSUYJOCSA-N 1 0 256.440 2.403 10 0 CEAERO C[C@@H]1C[C@@](C[NH3+])(N2C[C@@H](C)S[C@@H](C)C2)CS1 ZINC000086936866 179367736 /nfs/dbraw/zinc/36/77/36/179367736.db2.gz XPYOXRVHFQXAOI-WYUUTHIRSA-N 1 0 260.472 2.035 10 0 CEAERO CC(C)(C)[C@H]1CCC[C@H]([NH2+]CCCS(N)(=O)=O)CC1 ZINC000086957957 179368629 /nfs/dbraw/zinc/36/86/29/179368629.db2.gz HGIWTTMCZBVDOI-STQMWFEESA-N 1 0 290.473 2.250 10 0 CEAERO CCN(CC)CC[NH2+][C@@]1(C(N)=O)CCC[C@@H](C(C)C)CC1 ZINC000086949378 179368777 /nfs/dbraw/zinc/36/87/77/179368777.db2.gz SJVRAJOWEGGFNU-WBVHZDCISA-N 1 0 297.487 2.378 10 0 CEAERO COCCCc1noc([C@H]2CCCCC[C@H]2[NH3+])n1 ZINC000086971798 179370513 /nfs/dbraw/zinc/37/05/13/179370513.db2.gz IFFAUTCFHLVTDS-WDEREUQCSA-N 1 0 253.346 2.024 10 0 CEAERO CCS(=O)(=O)CCC[NH2+]CCSc1ccccc1 ZINC000086973851 179371435 /nfs/dbraw/zinc/37/14/35/179371435.db2.gz QLLTYICJTHDBHS-UHFFFAOYSA-N 1 0 287.450 2.193 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000086976306 179372229 /nfs/dbraw/zinc/37/22/29/179372229.db2.gz FGRPPKYRWAXPLF-TZMCWYRMSA-N 1 0 267.394 2.074 10 0 CEAERO CCC(O)(CC)C[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000087028538 179381997 /nfs/dbraw/zinc/38/19/97/179381997.db2.gz VXAOQJACZVHMRD-CQSZACIVSA-N 1 0 251.370 2.035 10 0 CEAERO COc1ccc([C@H](C[NH3+])N(C)Cc2ccncc2)cc1F ZINC000086983599 179374203 /nfs/dbraw/zinc/37/42/03/179374203.db2.gz KWMQUKYHXWBRIP-HNNXBMFYSA-N 1 0 289.354 2.361 10 0 CEAERO CC[NH2+][C@H](CCC(F)(F)F)[C@H]1CSCCO1 ZINC000086989226 179374662 /nfs/dbraw/zinc/37/46/62/179374662.db2.gz GCUIZJKUVCUXBK-RKDXNWHRSA-N 1 0 257.321 2.439 10 0 CEAERO CC[NH2+][C@@H](Cc1ccccc1)[C@@H]1CSCCO1 ZINC000086989031 179374705 /nfs/dbraw/zinc/37/47/05/179374705.db2.gz BVSJZGILFBDVQL-KBPBESRZSA-N 1 0 251.395 2.339 10 0 CEAERO CCC[NH2+]Cc1csc([C@H]2CSCCO2)n1 ZINC000086989914 179374783 /nfs/dbraw/zinc/37/47/83/179374783.db2.gz QJXZIJURSZEJLF-SNVBAGLBSA-N 1 0 258.412 2.447 10 0 CEAERO c1nc([C@H]2CSCCS2)[nH]c1C[NH2+]C1CC1 ZINC000086985460 179374829 /nfs/dbraw/zinc/37/48/29/179374829.db2.gz CDHMVHAFTUKESF-SNVBAGLBSA-N 1 0 255.412 2.183 10 0 CEAERO COc1ccc([C@H](O)[C@H]([NH3+])Cc2ccccc2)cc1F ZINC000086992136 179375375 /nfs/dbraw/zinc/37/53/75/179375375.db2.gz FVPCGXLGTFNUPV-ZBFHGGJFSA-N 1 0 275.323 2.438 10 0 CEAERO CCN1CC[C@@H](C[NH2+]C)[C@@H]1c1ccc(OC)c(F)c1 ZINC000086994901 179376322 /nfs/dbraw/zinc/37/63/22/179376322.db2.gz QBILXZOZQOAKMY-WFASDCNBSA-N 1 0 266.360 2.437 10 0 CEAERO [NH3+][C@H](c1ccc2[nH]c(=O)[nH]c2c1)c1c(F)cc(F)cc1F ZINC000086996449 179376713 /nfs/dbraw/zinc/37/67/13/179376713.db2.gz RLEHMVFBPLDXMI-CYBMUJFWSA-N 1 0 293.248 2.322 10 0 CEAERO C[C@H]1CC[C@H](C[NH3+])CN1C(=O)c1c(F)cc(F)cc1F ZINC000086998046 179378190 /nfs/dbraw/zinc/37/81/90/179378190.db2.gz KTMFJWXMUDIHMJ-DTWKUNHWSA-N 1 0 286.297 2.303 10 0 CEAERO CC1CCC(O)(C[NH2+]CC2(O)CCCCC2)CC1 ZINC000087063105 179389353 /nfs/dbraw/zinc/38/93/53/179389353.db2.gz PXPKFEYFRVWXRU-UHFFFAOYSA-N 1 0 255.402 2.212 10 0 CEAERO CCC1CCC(O)(C[NH2+][C@H](C)c2cc[nH]n2)CC1 ZINC000087053425 179388535 /nfs/dbraw/zinc/38/85/35/179388535.db2.gz RPCUUDWKTCEKNO-LKSINWNRSA-N 1 0 251.374 2.392 10 0 CEAERO C[C@H]([NH2+]C[C@]1(O)CCC[C@@H](C)C1)c1nccn1C ZINC000087050003 179388892 /nfs/dbraw/zinc/38/88/92/179388892.db2.gz SBDBUUKEELMSRE-DYEKYZERSA-N 1 0 251.374 2.012 10 0 CEAERO CC1CCC(OC[C@H](O)C[NH2+]CC2(O)CCCCC2)CC1 ZINC000087029207 179382506 /nfs/dbraw/zinc/38/25/06/179382506.db2.gz CMLOASHMWJUKBJ-HWOWSKLDSA-N 1 0 299.455 2.227 10 0 CEAERO CCC[C@]1(c2nc(CSCC)no2)CC[NH2+]C1 ZINC000087105216 179394807 /nfs/dbraw/zinc/39/48/07/179394807.db2.gz OVYLQPVYCKPEIA-LBPRGKRZSA-N 1 0 255.387 2.354 10 0 CEAERO COCC[NH2+]Cc1ccnc(CSC(C)(C)C)n1 ZINC000087119891 179395171 /nfs/dbraw/zinc/39/51/71/179395171.db2.gz QNEAFWKRWAYQCZ-UHFFFAOYSA-N 1 0 269.414 2.244 10 0 CEAERO C[NH2+][C@@H](Cc1ccccc1)Cc1ccc(OC)nc1 ZINC000087116624 179395508 /nfs/dbraw/zinc/39/55/08/179395508.db2.gz NCROXAWSDLJCMG-HNNXBMFYSA-N 1 0 256.349 2.463 10 0 CEAERO CCC1CCC(O)(CN2CCC[C@H]([NH2+]C(C)C)C2=O)CC1 ZINC000087071356 179391539 /nfs/dbraw/zinc/39/15/39/179391539.db2.gz YJMUMKPYKKKOKW-CKDBGZEDSA-N 1 0 296.455 2.307 10 0 CEAERO Cn1c2cccc(F)c2nc1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261779079 282601444 /nfs/dbraw/zinc/60/14/44/282601444.db2.gz PAOLFHUXITYDTL-NXEZZACHSA-N 1 0 290.342 2.026 10 0 CEAERO O[C@@H](C[NH2+]CC1(O)CCCCCC1)c1cccs1 ZINC000087089218 179393667 /nfs/dbraw/zinc/39/36/67/179393667.db2.gz ULJNMZZPKRRBJE-LBPRGKRZSA-N 1 0 269.410 2.456 10 0 CEAERO CC(C)CSCc1noc([C@H]2CCC[NH2+]C2)n1 ZINC000087121449 179396425 /nfs/dbraw/zinc/39/64/25/179396425.db2.gz NHXQRESDAJRNHK-JTQLQIEISA-N 1 0 255.387 2.426 10 0 CEAERO O[C@]1(Cc2cccc(F)c2F)CC[N@@H+](C2CC2)C1 ZINC000087166282 179398473 /nfs/dbraw/zinc/39/84/73/179398473.db2.gz UEIUHMBRPJQMIO-AWEZNQCLSA-N 1 0 253.292 2.107 10 0 CEAERO C[NH+]1CCC(O)(Cc2ccc(F)cc2Cl)CC1 ZINC000087165789 179398606 /nfs/dbraw/zinc/39/86/06/179398606.db2.gz ITQPJHGARYHXPU-UHFFFAOYSA-N 1 0 257.736 2.478 10 0 CEAERO COCC[C@](C)(O)Cc1[nH+]cc(C)c(OC)c1C ZINC000087165982 179398672 /nfs/dbraw/zinc/39/86/72/179398672.db2.gz KDUXWDIYOYNMAZ-AWEZNQCLSA-N 1 0 253.342 2.037 10 0 CEAERO COc1ccc(C[C@@](C)(O)[C@H]2CCC[NH2+]C2)cc1F ZINC000087172672 179399034 /nfs/dbraw/zinc/39/90/34/179399034.db2.gz ZMXKUXCWOYMCPY-SWLSCSKDSA-N 1 0 267.344 2.127 10 0 CEAERO [NH3+]CCN(C(=O)CC[C@H]1CCCO1)C1CCCCC1 ZINC000087244916 179404672 /nfs/dbraw/zinc/40/46/72/179404672.db2.gz SSPJERWRDKUKRB-CQSZACIVSA-N 1 0 268.401 2.066 10 0 CEAERO COc1cc(C[NH3+])ccc1OCC[C@H]1CCCO1 ZINC000087245266 179404962 /nfs/dbraw/zinc/40/49/62/179404962.db2.gz VPHSHNOQMGOKEI-GFCCVEGCSA-N 1 0 251.326 2.102 10 0 CEAERO [NH3+]C[C@H](c1ccccc1Cl)[C@H](O)[C@@H]1CCCOC1 ZINC000087347929 179414931 /nfs/dbraw/zinc/41/49/31/179414931.db2.gz OXKDKTJSPRTWAT-MPKXVKKWSA-N 1 0 269.772 2.170 10 0 CEAERO COc1ccc([C@@H](C[NH3+])[C@@H](O)c2ccccc2)cc1OC ZINC000087370531 179416725 /nfs/dbraw/zinc/41/67/25/179416725.db2.gz CNGOJRWFIVGSDH-PBHICJAKSA-N 1 0 287.359 2.480 10 0 CEAERO CCOc1ccc([C@H](C[NH3+])[C@H](O)c2ccoc2)cc1 ZINC000087378046 179417307 /nfs/dbraw/zinc/41/73/07/179417307.db2.gz FWMZSSIJMCUPBS-LSDHHAIUSA-N 1 0 261.321 2.454 10 0 CEAERO COc1cccc([C@@H](C[NH3+])[C@H](O)c2ccccc2OC)c1 ZINC000087380990 179417716 /nfs/dbraw/zinc/41/77/16/179417716.db2.gz IHZMHMZJNNWIDO-NVXWUHKLSA-N 1 0 287.359 2.480 10 0 CEAERO CCC[C@@H](C[NH3+])NS(=O)(=O)c1c(C)cc(C)cc1C ZINC000087404414 179420100 /nfs/dbraw/zinc/42/01/00/179420100.db2.gz YNTJBYDZFBHKBP-ZDUSSCGKSA-N 1 0 284.425 2.018 10 0 CEAERO Cc1nc(N(CCC(N)=[NH2+])Cc2cccnc2)sc1C ZINC000087302429 179410138 /nfs/dbraw/zinc/41/01/38/179410138.db2.gz VOMYGTLDVYOBGL-UHFFFAOYSA-N 1 0 289.408 2.488 10 0 CEAERO [NH3+]CC[C@H]1CN(CC2(O)CCCC2)c2ccccc21 ZINC000087463572 179429487 /nfs/dbraw/zinc/42/94/87/179429487.db2.gz PXOXLMAZKKYJJY-ZDUSSCGKSA-N 1 0 260.381 2.244 10 0 CEAERO CO[C@H]1CCC[C@H](OC(=O)C(C)(C)C(C)(C)[NH3+])C1 ZINC000087623284 179457089 /nfs/dbraw/zinc/45/70/89/179457089.db2.gz KSAIWHOCUBDVFH-QWRGUYRKSA-N 1 0 257.374 2.251 10 0 CEAERO COc1ccc(NC(=O)C(C)(C)C(C)(C)[NH3+])cc1OC ZINC000087627025 179458282 /nfs/dbraw/zinc/45/82/82/179458282.db2.gz XRGDJOCNGKIKLB-UHFFFAOYSA-N 1 0 280.368 2.406 10 0 CEAERO CSc1nc(Cl)cc(NCCC[NH+](C)C)n1 ZINC000087637896 179460037 /nfs/dbraw/zinc/46/00/37/179460037.db2.gz WVTHTBLGWRVBCB-UHFFFAOYSA-N 1 0 260.794 2.216 10 0 CEAERO C[C@H](CC[NH3+])c1nc2cc(Br)cnc2[nH]1 ZINC000087633612 179460076 /nfs/dbraw/zinc/46/00/76/179460076.db2.gz SFQMZNKTJIWJAV-ZCFIWIBFSA-N 1 0 269.146 2.173 10 0 CEAERO CC(C)CN(CCC(N)=[NH2+])c1nc(C(C)C)ns1 ZINC000087640291 179460955 /nfs/dbraw/zinc/46/09/55/179460955.db2.gz YXKSBEHIOMIVJD-UHFFFAOYSA-N 1 0 269.418 2.450 10 0 CEAERO CC(C)(CC[NH3+])CCC(=O)Nc1cccc(NC(N)=O)c1 ZINC000087694182 179471194 /nfs/dbraw/zinc/47/11/94/179471194.db2.gz WIGFQKSPHLKEPO-UHFFFAOYSA-N 1 0 292.383 2.271 10 0 CEAERO C[C@H]([NH3+])CCC[C@H](C)C(=O)N1CCc2ncccc2C1 ZINC000087694568 179471614 /nfs/dbraw/zinc/47/16/14/179471614.db2.gz IXCMGTMWSXDULX-STQMWFEESA-N 1 0 275.396 2.120 10 0 CEAERO C[C@H]([NH3+])CCC[C@H](C)C(=O)N(CCO)C1CCCCC1 ZINC000087695979 179471657 /nfs/dbraw/zinc/47/16/57/179471657.db2.gz BPJNFXPHBFYIDT-KBPBESRZSA-N 1 0 284.444 2.294 10 0 CEAERO CCC[NH2+][C@H](Cc1cccnc1N)C1CCOCC1 ZINC000087812071 179490461 /nfs/dbraw/zinc/49/04/61/179490461.db2.gz BRQMLOQLMIRFPI-CQSZACIVSA-N 1 0 263.385 2.001 10 0 CEAERO COCC[NH2+]C[C@H](C)Cc1ccc(OC)cc1C ZINC000087758950 179481991 /nfs/dbraw/zinc/48/19/91/179481991.db2.gz CFRUDTASDHZSRZ-GFCCVEGCSA-N 1 0 251.370 2.418 10 0 CEAERO CC[NH2+][C@H](C)[C@H](CC)c1nc(C2CCOCC2)no1 ZINC000087812868 179490296 /nfs/dbraw/zinc/49/02/96/179490296.db2.gz JGDNLZKWMSSMBW-PWSUYJOCSA-N 1 0 267.373 2.455 10 0 CEAERO Cc1nsc(S[C@H](C[NH3+])c2ccncc2)n1 ZINC000087513539 179438115 /nfs/dbraw/zinc/43/81/15/179438115.db2.gz GZWDDJIBUVZRIJ-SECBINFHSA-N 1 0 252.368 2.034 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)Nc1cccc(Cn2cccn2)c1 ZINC000087516500 179438796 /nfs/dbraw/zinc/43/87/96/179438796.db2.gz KIBCCHGEQUUZMY-AWEZNQCLSA-N 1 0 286.379 2.245 10 0 CEAERO [NH3+]CCc1ccc(Sc2ncns2)c(F)c1 ZINC000087518603 179438894 /nfs/dbraw/zinc/43/88/94/179438894.db2.gz YGLQMPDUIPVOGZ-UHFFFAOYSA-N 1 0 255.343 2.330 10 0 CEAERO CC[C@H](C[NH3+])C(=O)N(C)CCOc1cccc(Cl)c1 ZINC000087524830 179440764 /nfs/dbraw/zinc/44/07/64/179440764.db2.gz LBBHFXXGNNOXIP-LLVKDONJSA-N 1 0 284.787 2.162 10 0 CEAERO CC(C)[C@H](C[NH3+])C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000087525130 179440860 /nfs/dbraw/zinc/44/08/60/179440860.db2.gz BQCQXGJJOVDEJI-ZDUSSCGKSA-N 1 0 285.391 2.284 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)NCc1nc2ccccc2s1 ZINC000087531358 179441736 /nfs/dbraw/zinc/44/17/36/179441736.db2.gz WNONVPJQEXMVDS-JTQLQIEISA-N 1 0 277.393 2.288 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)NCCCn1ccc2ccccc21 ZINC000087531649 179441862 /nfs/dbraw/zinc/44/18/62/179441862.db2.gz MTJHMMYOCDVVEN-ZDUSSCGKSA-N 1 0 273.380 2.133 10 0 CEAERO C[NH2+]C1(CC(=O)Nc2nc(C)cc(C)n2)CCCCC1 ZINC000087576766 179448614 /nfs/dbraw/zinc/44/86/14/179448614.db2.gz JQDFNZFYPRLALC-UHFFFAOYSA-N 1 0 276.384 2.344 10 0 CEAERO C[NH+](C)CC1CC[NH+](CCCC(C)(C)C(=O)[O-])CC1 ZINC000087607355 179453591 /nfs/dbraw/zinc/45/35/91/179453591.db2.gz YFQWLRXOTQWBAX-UHFFFAOYSA-N 1 0 270.417 2.151 10 0 CEAERO [NH3+]CCN1CCC[C@H](c2cccc3ccnnc32)CC1 ZINC000616627063 348539271 /nfs/dbraw/zinc/53/92/71/348539271.db2.gz BTUQUMRXIJIZCY-ZDUSSCGKSA-N 1 0 270.380 2.158 10 0 CEAERO [NH3+]CCN1CCC[C@H](c2ccc3ccnnc3c2)CC1 ZINC000616626991 348539395 /nfs/dbraw/zinc/53/93/95/348539395.db2.gz APCIXOCJBLZTJO-ZDUSSCGKSA-N 1 0 270.380 2.158 10 0 CEAERO OCC[N@@H+]1CCC[C@H](c2ccc3ccnnc3c2)CC1 ZINC000616629553 348540324 /nfs/dbraw/zinc/54/03/24/348540324.db2.gz ROWIEIZUZNOSOM-ZDUSSCGKSA-N 1 0 271.364 2.192 10 0 CEAERO CC(C)[N@@H+]1CCOC[C@H](c2ccccc2CCO)C1 ZINC000616660605 348551857 /nfs/dbraw/zinc/55/18/57/348551857.db2.gz OJKVTUBJVASBBO-OAHLLOKOSA-N 1 0 263.381 2.046 10 0 CEAERO CN(C(=O)OC(C)(C)C)c1ccc([C@H]2C[NH2+]CCN2)cc1 ZINC000616631377 348541383 /nfs/dbraw/zinc/54/13/83/348541383.db2.gz ZHFVPBHXTCIQSN-CQSZACIVSA-N 1 0 291.395 2.292 10 0 CEAERO CC(C)[N@@H+]1CCCO[C@H](c2ccccc2CCO)C1 ZINC000616649432 348546714 /nfs/dbraw/zinc/54/67/14/348546714.db2.gz JMWWZPCWEWGWPM-INIZCTEOSA-N 1 0 263.381 2.393 10 0 CEAERO CCc1nc(NC[C@H](C)C(C)C)c(C)c(NN)[nH+]1 ZINC000087918748 179523182 /nfs/dbraw/zinc/52/31/82/179523182.db2.gz KQOHBGOJIMUBCN-VIFPVBQESA-N 1 0 251.378 2.337 10 0 CEAERO CCc1nc(OCCCC(C)C)c(C)c(NN)[nH+]1 ZINC000087919102 179523426 /nfs/dbraw/zinc/52/34/26/179523426.db2.gz FPNBHVFYEXCGFH-UHFFFAOYSA-N 1 0 252.362 2.448 10 0 CEAERO [NH3+]C[C@]1(Cc2ccn(C3CCCCC3)n2)CCC[C@H]1O ZINC000087931947 179526507 /nfs/dbraw/zinc/52/65/07/179526507.db2.gz OQPNPGLBXGDXFX-HZPDHXFCSA-N 1 0 277.412 2.421 10 0 CEAERO CC(C)(C)[N@@H+]1CCCO[C@@H](c2ccc(C(N)=O)cc2)C1 ZINC000616652240 348548689 /nfs/dbraw/zinc/54/86/89/348548689.db2.gz FOOULUGDJVAAPC-CQSZACIVSA-N 1 0 276.380 2.347 10 0 CEAERO C[NH2+][C@@H](CCCS(C)(=O)=O)C1CCCCCC1 ZINC000087947406 179528190 /nfs/dbraw/zinc/52/81/90/179528190.db2.gz QXNLRHDRFINLTB-ZDUSSCGKSA-N 1 0 261.431 2.370 10 0 CEAERO Cc1nn(C)c(C[C@H]2CCC[C@@H]2C[NH3+])c1Br ZINC000087940633 179528282 /nfs/dbraw/zinc/52/82/82/179528282.db2.gz LJAYDNQFYXJOPJ-NXEZZACHSA-N 1 0 286.217 2.409 10 0 CEAERO C[NH2+]C[C@@H]1CC[C@@H]1Cc1c(Br)c(C)nn1C ZINC000087954549 179528791 /nfs/dbraw/zinc/52/87/91/179528791.db2.gz FAPITCIAKLWRBT-ZJUUUORDSA-N 1 0 286.217 2.279 10 0 CEAERO C[NH2+]C[C@@H](C)c1c(C)nc(C2CCOCC2)nc1C ZINC000087812389 179490476 /nfs/dbraw/zinc/49/04/76/179490476.db2.gz DVVAXDYWJNIJGG-SNVBAGLBSA-N 1 0 263.385 2.310 10 0 CEAERO COC(=O)[C@]1(c2ccc(Cl)cc2Cl)CC[NH2+]C1 ZINC000616573734 348524096 /nfs/dbraw/zinc/52/40/96/348524096.db2.gz KVBRTMZPEQTVPV-GFCCVEGCSA-N 1 0 274.147 2.398 10 0 CEAERO [NH3+][C@H](CCC(F)(F)F)[C@H]1COc2ccccc2O1 ZINC000087858998 179503340 /nfs/dbraw/zinc/50/33/40/179503340.db2.gz FGTCOCDNPGJLOO-LDYMZIIASA-N 1 0 261.243 2.496 10 0 CEAERO CCC[NH2+][C@@H](c1cncnc1)[C@H]1COc2ccccc2O1 ZINC000087860070 179503658 /nfs/dbraw/zinc/50/36/58/179503658.db2.gz JENZANXLZMXSHX-CVEARBPZSA-N 1 0 285.347 2.357 10 0 CEAERO Cc1c[nH+]c(NN)nc1N(C)[C@@H](C)c1cccs1 ZINC000087866177 179504950 /nfs/dbraw/zinc/50/49/50/179504950.db2.gz GDDONHDYMQWOQI-VIFPVBQESA-N 1 0 263.370 2.330 10 0 CEAERO CC(C)(C)[N@@H+]1CCOCC[C@H]1c1cccc(C(N)=O)c1 ZINC000616597803 348529534 /nfs/dbraw/zinc/52/95/34/348529534.db2.gz KXZIUCHMWBLHEK-AWEZNQCLSA-N 1 0 276.380 2.347 10 0 CEAERO CC(C)[C@@H]1CCOCC[N@@H+]1CCNC(=O)OC(C)(C)C ZINC000616599041 348529954 /nfs/dbraw/zinc/52/99/54/348529954.db2.gz WLMWHVMERMEWEA-ZDUSSCGKSA-N 1 0 286.416 2.258 10 0 CEAERO CCOC(=O)c1cccc([C@H]2COCCC[N@@H+]2C)c1 ZINC000616599806 348530022 /nfs/dbraw/zinc/53/00/22/348530022.db2.gz PUTARADQOLGRKQ-CQSZACIVSA-N 1 0 263.337 2.257 10 0 CEAERO CCCCN(CC)c1cc(NN)[nH+]c(SC)n1 ZINC000087881138 179509182 /nfs/dbraw/zinc/50/91/82/179509182.db2.gz OYLKZUHWVABJBG-UHFFFAOYSA-N 1 0 255.391 2.111 10 0 CEAERO COC(=O)c1cccnc1Oc1ccc(CC[NH3+])cc1 ZINC000087881925 179509351 /nfs/dbraw/zinc/50/93/51/179509351.db2.gz NQABNEMLBXJWRD-UHFFFAOYSA-N 1 0 272.304 2.162 10 0 CEAERO [NH3+]CCN1CCCC[C@H](c2ccc3nnccc3c2)C1 ZINC000616603896 348531755 /nfs/dbraw/zinc/53/17/55/348531755.db2.gz JOMPNHDOIOGZQJ-HNNXBMFYSA-N 1 0 270.380 2.158 10 0 CEAERO NNc1cc(Nc2ccc(F)cc2Br)nc[nH+]1 ZINC000087884800 179510846 /nfs/dbraw/zinc/51/08/46/179510846.db2.gz MRLFKKHCDPMPCC-UHFFFAOYSA-N 1 0 298.119 2.407 10 0 CEAERO OCC[N@@H+]1CCC[C@@H](c2ccc3ncccc3c2)C1 ZINC000616620530 348537509 /nfs/dbraw/zinc/53/75/09/348537509.db2.gz LGFDJLMHDPXGJQ-OAHLLOKOSA-N 1 0 256.349 2.407 10 0 CEAERO OCC[N@@H+]1CCC[C@@H](c2ccc3cccnc3c2)C1 ZINC000616621790 348537971 /nfs/dbraw/zinc/53/79/71/348537971.db2.gz YXDFBDWDQDSOBG-OAHLLOKOSA-N 1 0 256.349 2.407 10 0 CEAERO COc1cccc(F)c1[C@@H](O)[C@@H](C[NH3+])CC(C)C ZINC000088082111 179545964 /nfs/dbraw/zinc/54/59/64/179545964.db2.gz PUNFTBLRCAXNIL-YGRLFVJLSA-N 1 0 255.333 2.489 10 0 CEAERO C[C@@H](C[NH3+])C[S@@](=O)Cc1ccccc1Br ZINC000088089386 179547116 /nfs/dbraw/zinc/54/71/16/179547116.db2.gz CZIUFKXBCRESEB-VFZGTOFNSA-N 1 0 290.226 2.293 10 0 CEAERO C[C@@](O)(CCc1ccc2c(c1)CCO2)[C@H]1CCC[NH2+]C1 ZINC000088103331 179548444 /nfs/dbraw/zinc/54/84/44/179548444.db2.gz OWYGUYNSWSFFJB-DOTOQJQBSA-N 1 0 275.392 2.305 10 0 CEAERO [NH3+]C1(COCCc2ccc3c(c2)CCO3)CCCC1 ZINC000088102953 179548895 /nfs/dbraw/zinc/54/88/95/179548895.db2.gz SBWZPMIBDCGICI-UHFFFAOYSA-N 1 0 261.365 2.452 10 0 CEAERO c1ccc(C[N@@H+]2CCOC[C@H](Nc3ccccn3)C2)cc1 ZINC000616663332 348553947 /nfs/dbraw/zinc/55/39/47/348553947.db2.gz OGEMVHDKSGYZLR-MRXNPFEDSA-N 1 0 283.375 2.395 10 0 CEAERO [NH3+]CCN1C[C@H](c2cccc(CCO)c2)Cc2ccccc21 ZINC000616671042 348555821 /nfs/dbraw/zinc/55/58/21/348555821.db2.gz FEUJYZQODSBIBS-GOSISDBHSA-N 1 0 296.414 2.326 10 0 CEAERO [NH3+]CCN1CCc2ccccc2[C@H]1c1ccc(CCO)cc1 ZINC000616680707 348558820 /nfs/dbraw/zinc/55/88/20/348558820.db2.gz ORDFOZAGYNCOQT-LJQANCHMSA-N 1 0 296.414 2.128 10 0 CEAERO CCOCC[NH2+]CCN(C)[C@@H](C)Cc1ccccc1OC ZINC000088243115 179569498 /nfs/dbraw/zinc/56/94/98/179569498.db2.gz DOZJMBURFGZBGU-HNNXBMFYSA-N 1 0 294.439 2.184 10 0 CEAERO C[C@]1(c2nc([C@@H]3COc4ccccc4C3)no2)CC[NH2+]C1 ZINC000087996334 179532373 /nfs/dbraw/zinc/53/23/73/179532373.db2.gz QSBVRSFLNCLQNY-LRDDRELGSA-N 1 0 285.347 2.039 10 0 CEAERO Cc1nn(C)c(N(C)CCC(F)(F)F)c1C[C@@H](C)[NH3+] ZINC000088439336 179602512 /nfs/dbraw/zinc/60/25/12/179602512.db2.gz WRBXVKQFDIVIHB-MRVPVSSYSA-N 1 0 278.322 2.007 10 0 CEAERO CC(C)CN(CC(C)C)C(=O)[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000088450098 179605933 /nfs/dbraw/zinc/60/59/33/179605933.db2.gz ZEZVVAOGDJQNBC-KBPBESRZSA-N 1 0 254.418 2.373 10 0 CEAERO CCC(C)(C)OC[C@@H](O)[C@H]([NH3+])Cc1ccccc1 ZINC000088398007 179591912 /nfs/dbraw/zinc/59/19/12/179591912.db2.gz DTDDSPSASGBKPX-ZIAGYGMSSA-N 1 0 251.370 2.123 10 0 CEAERO CCOC(=O)CC[NH2+]CCOc1ccccc1OCC ZINC000088400689 179592766 /nfs/dbraw/zinc/59/27/66/179592766.db2.gz KONNCPGIBYGDBI-UHFFFAOYSA-N 1 0 281.352 2.007 10 0 CEAERO Cn1ncnc1C[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH3+] ZINC000088580698 179628560 /nfs/dbraw/zinc/62/85/60/179628560.db2.gz ZDKUSGAYRQEGKR-ILXRZTDVSA-N 1 0 270.380 2.269 10 0 CEAERO C[C@H](C(=O)c1ccc(F)c(F)c1)N(C)CC[NH+](C)C ZINC000104203194 185929676 /nfs/dbraw/zinc/92/96/76/185929676.db2.gz SCINMYVBOBJKMM-SNVBAGLBSA-N 1 0 270.323 2.029 10 0 CEAERO COc1cccc([C@@](C)([NH3+])Cc2ncnn2C(C)C)c1 ZINC000088607057 179636747 /nfs/dbraw/zinc/63/67/47/179636747.db2.gz SFEYDMMWKGJEPO-HNNXBMFYSA-N 1 0 274.368 2.284 10 0 CEAERO CC(C)n1ncnc1C[C@@H]([NH3+])CCOc1ccccc1 ZINC000088609870 179637479 /nfs/dbraw/zinc/63/74/79/179637479.db2.gz SGNNRBXIMGYFHG-ZDUSSCGKSA-N 1 0 274.368 2.198 10 0 CEAERO CCC[NH2+][C@@H](Cc1ncnn1C(C)C)C[C@H]1CCCO1 ZINC000088610597 179638022 /nfs/dbraw/zinc/63/80/22/179638022.db2.gz HPQMHTLYLKUHAO-ZIAGYGMSSA-N 1 0 280.416 2.339 10 0 CEAERO CCCn1ncnc1C[C@H]([NH3+])Cc1ccccc1Cl ZINC000088611285 179638707 /nfs/dbraw/zinc/63/87/07/179638707.db2.gz QLMJUFJBJIZHMN-GFCCVEGCSA-N 1 0 278.787 2.454 10 0 CEAERO CCCn1ncnc1C[C@@H](CSC(C)(C)C)[NH2+]C ZINC000088612767 179639794 /nfs/dbraw/zinc/63/97/94/179639794.db2.gz BYODYMJQUOUNJU-NSHDSACASA-N 1 0 270.446 2.350 10 0 CEAERO CC(C)n1ncnc1C[C@H]([NH3+])[C@@H]1CCc2ccccc21 ZINC000088616937 179639847 /nfs/dbraw/zinc/63/98/47/179639847.db2.gz KFESXXCVQBSJLX-CABCVRRESA-N 1 0 270.380 2.459 10 0 CEAERO CCn1ncnc1C[C@@H](C[NH2+]C)Cc1ccccc1F ZINC000088620798 179641236 /nfs/dbraw/zinc/64/12/36/179641236.db2.gz OLXNDOYPRQVSHE-LBPRGKRZSA-N 1 0 276.359 2.058 10 0 CEAERO CCCn1ncnc1C[C@@H]1CCC[C@H]([NH2+]CC)C1 ZINC000088624046 179641817 /nfs/dbraw/zinc/64/18/17/179641817.db2.gz NNPNZIRIRVVKMG-OLZOCXBDSA-N 1 0 250.390 2.399 10 0 CEAERO CC[C@@]1(C)CN(Cc2ncnn2C(C)C)[C@H](C(C)C)C[NH2+]1 ZINC000088625571 179642446 /nfs/dbraw/zinc/64/24/46/179642446.db2.gz LULWZNVLEJUJIT-HOCLYGCPSA-N 1 0 293.459 2.458 10 0 CEAERO CC(C)Cn1ncnc1CN1C[C@@H](C(C)(C)C)[NH2+]C[C@@H]1C ZINC000088625413 179642448 /nfs/dbraw/zinc/64/24/48/179642448.db2.gz RHDFXUYPJGKAGI-KBPBESRZSA-N 1 0 293.459 2.143 10 0 CEAERO CCCn1ncnc1CN1C[C@](C)(CC)[NH2+]C[C@@H]1CC ZINC000088625551 179642686 /nfs/dbraw/zinc/64/26/86/179642686.db2.gz ZVQINYOUFQSUAQ-ZFWWWQNUSA-N 1 0 279.432 2.041 10 0 CEAERO CCC1CCC(C[NH3+])(Cc2ncnn2CC)CC1 ZINC000088626846 179642889 /nfs/dbraw/zinc/64/28/89/179642889.db2.gz TZUPZPUABSOZPM-UHFFFAOYSA-N 1 0 250.390 2.386 10 0 CEAERO CC(C)n1ncnc1C[C@]1(C[NH3+])CCc2ccccc21 ZINC000088626930 179643008 /nfs/dbraw/zinc/64/30/08/179643008.db2.gz ZIMVQFALRRBWNS-INIZCTEOSA-N 1 0 270.380 2.244 10 0 CEAERO C[NH2+][C@@H](Cc1nc2ccccc2o1)C1CCOCC1 ZINC000088518328 179617630 /nfs/dbraw/zinc/61/76/30/179617630.db2.gz STVVDKNRTJVXMA-ZDUSSCGKSA-N 1 0 260.337 2.385 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)c1cccc2cc[nH]c21 ZINC000088732269 179659994 /nfs/dbraw/zinc/65/99/94/179659994.db2.gz ULTOPADYXSTJRL-QWHCGFSZSA-N 1 0 257.337 2.168 10 0 CEAERO CC(C)CCN(C)S(=O)(=O)c1ccc(CCC[NH3+])cc1 ZINC000088991385 179690301 /nfs/dbraw/zinc/69/03/01/179690301.db2.gz UQWQSUQXRQCZRI-UHFFFAOYSA-N 1 0 298.452 2.245 10 0 CEAERO CC[NH2+]Cc1nnc(-c2ccc3c(c2)COC3)s1 ZINC000088814010 179677309 /nfs/dbraw/zinc/67/73/09/179677309.db2.gz DPAVUJCHLLUGIY-UHFFFAOYSA-N 1 0 261.350 2.345 10 0 CEAERO C[NH2+]CCc1nnc(-c2c(F)cccc2F)s1 ZINC000088822550 179677832 /nfs/dbraw/zinc/67/78/32/179677832.db2.gz OLOQDXSVIPETNB-UHFFFAOYSA-N 1 0 255.293 2.245 10 0 CEAERO C[NH2+]CCc1nnc(-c2ccc(F)c(C)c2)s1 ZINC000088822623 179678797 /nfs/dbraw/zinc/67/87/97/179678797.db2.gz NNBTYTQKGNMWMR-UHFFFAOYSA-N 1 0 251.330 2.415 10 0 CEAERO CN(CC1CCCC1)S(=O)(=O)c1ccsc1C[NH3+] ZINC000089037000 179692718 /nfs/dbraw/zinc/69/27/18/179692718.db2.gz VAVCJIFBUUYOQI-UHFFFAOYSA-N 1 0 288.438 2.018 10 0 CEAERO CC(C)[NH2+]CCCCS(=O)(=O)N1CCC[C@H](C)CC1 ZINC000089036853 179692387 /nfs/dbraw/zinc/69/23/87/179692387.db2.gz IIDXKUXTXUYBCZ-AWEZNQCLSA-N 1 0 290.473 2.216 10 0 CEAERO CCC[C@H]1C[NH2+]C(C)(C)CN1CCOC(F)(F)F ZINC000089057007 179694729 /nfs/dbraw/zinc/69/47/29/179694729.db2.gz HNEYJAGZLZAZFD-JTQLQIEISA-N 1 0 268.323 2.375 10 0 CEAERO CCC[NH2+][C@H](C)c1cnn(CCOC(F)(F)F)c1 ZINC000089056527 179694991 /nfs/dbraw/zinc/69/49/91/179694991.db2.gz JFZLKYMYFLIMJZ-SECBINFHSA-N 1 0 265.279 2.480 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@@H]1Nc1cc2ccccc2c(=O)[nH]1 ZINC000089108510 179704354 /nfs/dbraw/zinc/70/43/54/179704354.db2.gz FLEMNSNQJACLMA-OCCSQVGLSA-N 1 0 271.364 2.458 10 0 CEAERO CN(C(=O)[C@@H]1CCOc2ccccc21)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089111080 179705855 /nfs/dbraw/zinc/70/58/55/179705855.db2.gz YMFIDWPTWZTFLJ-YUELXQCFSA-N 1 0 288.391 2.139 10 0 CEAERO Cc1cc(C(=O)N(C)[C@H]2CCC[C@H]2C[NH3+])c(C)o1 ZINC000089110997 179706232 /nfs/dbraw/zinc/70/62/32/179706232.db2.gz HQKMWWBOXQXFAG-AAEUAGOBSA-N 1 0 250.342 2.096 10 0 CEAERO COCCOc1ccc(N[C@@H]2CCCC[C@H]2C[NH3+])cn1 ZINC000089142097 179720695 /nfs/dbraw/zinc/72/06/95/179720695.db2.gz SHINLJXYIVADCQ-GXTWGEPZSA-N 1 0 279.384 2.036 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1Nc1ccc(-n2cc[nH]c2=O)cc1 ZINC000089145153 179722494 /nfs/dbraw/zinc/72/24/94/179722494.db2.gz WQOWPYLIHRENSK-WFASDCNBSA-N 1 0 286.379 2.095 10 0 CEAERO CN(C(=O)c1ccc2[nH]cnc2c1)[C@H]1CCCC[C@H]1C[NH3+] ZINC000089119531 179711536 /nfs/dbraw/zinc/71/15/36/179711536.db2.gz SNRQSKOQURYIEA-WFASDCNBSA-N 1 0 286.379 2.152 10 0 CEAERO CCOC(=O)c1ccc(N[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089148062 179724040 /nfs/dbraw/zinc/72/40/40/179724040.db2.gz QDNIWMGUJGIMME-TZMCWYRMSA-N 1 0 262.353 2.403 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1Nc1cccc(Cl)c1-n1cncn1 ZINC000089149196 179724572 /nfs/dbraw/zinc/72/45/72/179724572.db2.gz DQSQDZFXMKQJQI-CMPLNLGQSA-N 1 0 291.786 2.460 10 0 CEAERO C[NH2+][C@@H](Cc1nn(C)c2ccccc12)c1ccccn1 ZINC000089177424 179742507 /nfs/dbraw/zinc/74/25/07/179742507.db2.gz ICKGEBPSCUPUIQ-HNNXBMFYSA-N 1 0 266.348 2.472 10 0 CEAERO CCc1cc(CN2CCC[C@@H]([C@@H](C)[NH2+]C)C2)n(CC)n1 ZINC000089180589 179744797 /nfs/dbraw/zinc/74/47/97/179744797.db2.gz CGVMWZCBFPCYTF-ZIAGYGMSSA-N 1 0 278.444 2.285 10 0 CEAERO CCc1cc(CO[C@H]2CCCC[C@@H]2C[NH3+])n(C)n1 ZINC000089186816 179747891 /nfs/dbraw/zinc/74/78/91/179747891.db2.gz WHVLTZXHKCUMSW-RISCZKNCSA-N 1 0 251.374 2.017 10 0 CEAERO O[C@]12CCCC[C@@H]1C[N@H+](CC[C@H]1CCOC1)CC2 ZINC000400614681 233179276 /nfs/dbraw/zinc/17/92/76/233179276.db2.gz JYRKJRZOWLMVMG-ZNMIVQPWSA-N 1 0 253.386 2.040 10 0 CEAERO CCn1c(CCC2CC[NH2+]CC2)nc2cccnc21 ZINC000104309432 185962395 /nfs/dbraw/zinc/96/23/95/185962395.db2.gz DQNIDRZCZAKSBY-UHFFFAOYSA-N 1 0 258.369 2.383 10 0 CEAERO CCC[NH2+][C@@H](COCCC)Cc1cc(CC)nn1C ZINC000089193926 179750047 /nfs/dbraw/zinc/75/00/47/179750047.db2.gz UYOAATMXWSLXII-CQSZACIVSA-N 1 0 267.417 2.320 10 0 CEAERO C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000402173829 233187276 /nfs/dbraw/zinc/18/72/76/233187276.db2.gz XKIZCFPRZRJKEZ-RFGFWPKPSA-N 1 0 298.427 2.399 10 0 CEAERO COc1ccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])cc1F ZINC000089450538 539715764 /nfs/dbraw/zinc/71/57/64/539715764.db2.gz JJDQEFTYLOVEIY-ONGXEEELSA-N 1 0 266.316 2.148 10 0 CEAERO CN(Cc1ccsc1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089450709 539715861 /nfs/dbraw/zinc/71/58/61/539715861.db2.gz CHZITGQCNWKTAA-NEPJUHHUSA-N 1 0 252.383 2.082 10 0 CEAERO Cc1ccc(F)cc1NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089449647 539715957 /nfs/dbraw/zinc/71/59/57/539715957.db2.gz BGZKJIDNZRZARY-JQWIXIFHSA-N 1 0 250.317 2.448 10 0 CEAERO COc1ccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])cc1OC ZINC000089449095 539716342 /nfs/dbraw/zinc/71/63/42/539716342.db2.gz YCIBKNNKZNEXOK-JQWIXIFHSA-N 1 0 278.352 2.017 10 0 CEAERO Cc1ccc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])c(C)c1O ZINC000089453492 539716802 /nfs/dbraw/zinc/71/68/02/539716802.db2.gz NHYHRTPXMKFFKG-NEPJUHHUSA-N 1 0 262.353 2.323 10 0 CEAERO CC(C)CCN(C(=O)[C@@H]1CCC[C@H]1C[NH3+])C1CC1 ZINC000089456241 539717480 /nfs/dbraw/zinc/71/74/80/539717480.db2.gz ZFHVYZRCWQTDKX-GXTWGEPZSA-N 1 0 252.402 2.399 10 0 CEAERO Cc1cc(CN2CC(C)(C)[NH2+]C[C@@H]2C(C)(C)C)n(C)n1 ZINC000089209531 179754957 /nfs/dbraw/zinc/75/49/57/179754957.db2.gz FKKJSOFWVBRICB-CQSZACIVSA-N 1 0 278.444 2.327 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCc1nc2ccccc2s1 ZINC000089459499 539718508 /nfs/dbraw/zinc/71/85/08/539718508.db2.gz NWMIISIOYOWNLZ-MNOVXSKESA-N 1 0 289.404 2.288 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCc1ccc(Cl)s1 ZINC000089462962 539718972 /nfs/dbraw/zinc/71/89/72/539718972.db2.gz GFDRCVIEHFZDSY-WPRPVWTQSA-N 1 0 272.801 2.393 10 0 CEAERO CCn1nc(C)c(Cl)c1C[C@@]1(C[NH3+])CCCC[C@H]1O ZINC000089306274 179767465 /nfs/dbraw/zinc/76/74/65/179767465.db2.gz CQUKLPIFDUKSRH-TZMCWYRMSA-N 1 0 285.819 2.287 10 0 CEAERO CCc1nn(C)c(C[C@H]([NH2+]C)[C@@H]2C[C@@H]2C)c1Cl ZINC000089329538 179769936 /nfs/dbraw/zinc/76/99/36/179769936.db2.gz BSZOIZVAMXCDPR-NGZCFLSTSA-N 1 0 255.793 2.422 10 0 CEAERO Cc1nc(CN2CC[NH2+]C[C@@]2(C)C2CC2)cs1 ZINC000089270249 179763107 /nfs/dbraw/zinc/76/31/07/179763107.db2.gz JGZHKKFQGWRWEW-ZDUSSCGKSA-N 1 0 251.399 2.025 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1C(=O)NCCc1cccc(F)c1 ZINC000089388136 179778073 /nfs/dbraw/zinc/77/80/73/179778073.db2.gz LGERRFQYFHFUIS-DZGCQCFKSA-N 1 0 278.371 2.250 10 0 CEAERO CCOc1ccccc1NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089448804 179791596 /nfs/dbraw/zinc/79/15/96/179791596.db2.gz XZQWIRNGGAUGHI-NEPJUHHUSA-N 1 0 262.353 2.399 10 0 CEAERO CN(Cc1ccc(F)cc1F)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089455903 179794373 /nfs/dbraw/zinc/79/43/73/179794373.db2.gz ODLYHZFNJPSPLG-GXFFZTMASA-N 1 0 282.334 2.298 10 0 CEAERO Cc1cc([C@@H]2CCCN2C(=O)[C@H]2CCC[C@@H]2C[NH3+])on1 ZINC000089457480 179794858 /nfs/dbraw/zinc/79/48/58/179794858.db2.gz FMTGIMBYGHXYQE-AGIUHOORSA-N 1 0 277.368 2.022 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1c1nc(Cc2ccccn2)no1 ZINC000089383395 179776392 /nfs/dbraw/zinc/77/63/92/179776392.db2.gz VXLQSZMNDZICCC-WCQYABFASA-N 1 0 272.352 2.288 10 0 CEAERO COc1ccc(OCCOC[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089536967 179813013 /nfs/dbraw/zinc/81/30/13/179813013.db2.gz BVYQCZCLTWHYNG-UONOGXRCSA-N 1 0 279.380 2.466 10 0 CEAERO CCCn1ccnc1C1(O)CCC([NH2+]CC)CC1 ZINC000089539633 179814200 /nfs/dbraw/zinc/81/42/00/179814200.db2.gz GHUOCXQQINVMKE-UHFFFAOYSA-N 1 0 251.374 2.033 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1CNC(=O)c1ccccc1OC(F)F ZINC000089500362 179805044 /nfs/dbraw/zinc/80/50/44/179805044.db2.gz ZJLVHFHGYZGEMR-MNOVXSKESA-N 1 0 298.333 2.393 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1CNC(=O)CC1CCCCC1 ZINC000089500788 179805494 /nfs/dbraw/zinc/80/54/94/179805494.db2.gz DKGAWGRLMWVAHA-KBPBESRZSA-N 1 0 252.402 2.448 10 0 CEAERO CC(C)C[NH+](CC(C)C)[C@H](CN)[C@H]1CCCOC1 ZINC000104326390 185970382 /nfs/dbraw/zinc/97/03/82/185970382.db2.gz AQSXUKRIEMRYCH-LSDHHAIUSA-N 1 0 256.434 2.354 10 0 CEAERO C[C@H]1C[NH+](CC2(CO)CCCCCC2)C[C@H](C)O1 ZINC000089574901 179822006 /nfs/dbraw/zinc/82/20/06/179822006.db2.gz JMANCSFOEDSPCR-KBPBESRZSA-N 1 0 255.402 2.429 10 0 CEAERO C[C@H]([NH2+]C[C@@](C)(O)CO)c1ccc(Cl)c(Cl)c1 ZINC000090286621 179949706 /nfs/dbraw/zinc/94/97/06/179949706.db2.gz DAORROKMHCCMHX-QPUJVOFHSA-N 1 0 278.179 2.387 10 0 CEAERO CCC[NH2+][C@@H](CCCS(C)(=O)=O)c1cc(C)ccn1 ZINC000104411148 185992233 /nfs/dbraw/zinc/99/22/33/185992233.db2.gz RSFYGKCVNNVTMY-ZDUSSCGKSA-N 1 0 284.425 2.256 10 0 CEAERO C[NH2+][C@@H]1CCC[C@H]1c1nc(-c2cc(C)ccn2)no1 ZINC000104411172 185991528 /nfs/dbraw/zinc/99/15/28/185991528.db2.gz CQKMVHIMGKBIKG-GHMZBOCLSA-N 1 0 258.325 2.296 10 0 CEAERO Cc1sc2[nH]c(CSC[C@@H](C)C[NH3+])nc(=O)c2c1C ZINC000090350941 179972805 /nfs/dbraw/zinc/97/28/05/179972805.db2.gz FEZLLWLIIWAHBY-ZETCQYMHSA-N 1 0 297.449 2.429 10 0 CEAERO C[C@@H](CC[NH3+])SCC(=O)NC1CCCCCC1 ZINC000090354403 179973290 /nfs/dbraw/zinc/97/32/90/179973290.db2.gz MMMGBNWTUMHOLX-NSHDSACASA-N 1 0 258.431 2.296 10 0 CEAERO Cc1ccc2c(c1)nc([C@H]1COC[C@H]1[NH3+])n2C(C)C ZINC000090363678 179977995 /nfs/dbraw/zinc/97/79/95/179977995.db2.gz ZPJRKNFTZIORLY-NWDGAFQWSA-N 1 0 259.353 2.367 10 0 CEAERO CCC[C@H](C[NH2+]Cc1c(C)nn(C)c1OC)OCC ZINC000623598265 350060938 /nfs/dbraw/zinc/06/09/38/350060938.db2.gz WYNQUTLIAANQQA-GFCCVEGCSA-N 1 0 269.389 2.032 10 0 CEAERO C[C@@H](c1ccc(F)cc1Cl)N1CCN(C2C[NH2+]C2)CC1 ZINC000090306305 179955053 /nfs/dbraw/zinc/95/50/53/179955053.db2.gz IWQBMVUREAFDMY-NSHDSACASA-N 1 0 297.805 2.130 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1Nc1ccc2ccccc2n1 ZINC000090313587 179956305 /nfs/dbraw/zinc/95/63/05/179956305.db2.gz SXZQRFKAYXCNBY-KYOSRNDESA-N 1 0 257.337 2.151 10 0 CEAERO O[C@H]1COCC[C@H]1[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000623767349 350107169 /nfs/dbraw/zinc/10/71/69/350107169.db2.gz UMNQVZJAZJRZED-NEPJUHHUSA-N 1 0 281.739 2.326 10 0 CEAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000623767351 350107681 /nfs/dbraw/zinc/10/76/81/350107681.db2.gz UMNQVZJAZJRZED-RYUDHWBXSA-N 1 0 281.739 2.326 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1c1nc2cc(F)ccc2o1 ZINC000090529228 179998728 /nfs/dbraw/zinc/99/87/28/179998728.db2.gz BKDVOQXMMNHAOP-ZYHUDNBSSA-N 1 0 264.300 2.449 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc2c(c1)CCC2 ZINC000090538703 180000551 /nfs/dbraw/zinc/00/05/51/180000551.db2.gz RNSGTJHLOVKOGZ-JKSUJKDBSA-N 1 0 288.391 2.128 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccc(F)c(C)c1 ZINC000090544860 180001220 /nfs/dbraw/zinc/00/12/20/180001220.db2.gz QTAZXLRTYQWDIG-JSGCOSHPSA-N 1 0 280.343 2.087 10 0 CEAERO CC1(CNC(=O)c2c[nH+]c(NN)c(Cl)c2)CCCC1 ZINC000104436514 186001026 /nfs/dbraw/zinc/00/10/26/186001026.db2.gz PRBQNSOXCWFETP-UHFFFAOYSA-N 1 0 282.775 2.331 10 0 CEAERO O=C(CSCC1C[NH2+]C1)Nc1ccc(F)cc1Cl ZINC000090713333 180028689 /nfs/dbraw/zinc/02/86/89/180028689.db2.gz SOOJKZOMQZNXRK-UHFFFAOYSA-N 1 0 288.775 2.370 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1CN1CCc2sccc2C1 ZINC000090565984 180005612 /nfs/dbraw/zinc/00/56/12/180005612.db2.gz KNNRRQPQPIUVFN-KGLIPLIRSA-N 1 0 280.437 2.121 10 0 CEAERO C[C@@]1(C(=O)Nc2cc(Cl)cc(Cl)c2)COC[C@@H]1[NH3+] ZINC000090580619 180008422 /nfs/dbraw/zinc/00/84/22/180008422.db2.gz JFQQYILDZDUXIB-CMPLNLGQSA-N 1 0 289.162 2.296 10 0 CEAERO CCC[C@H](NC(=O)[C@]1(C)COC[C@@H]1[NH3+])c1cccs1 ZINC000090600530 180011291 /nfs/dbraw/zinc/01/12/91/180011291.db2.gz NUCQBYDDWKOVAB-VHRBIJSZSA-N 1 0 282.409 2.069 10 0 CEAERO CCN(c1ccccc1C)[C@H](C[NH3+])CC(OC)OC ZINC000090625031 180015472 /nfs/dbraw/zinc/01/54/72/180015472.db2.gz QLIYWCKDIMPGKU-ZDUSSCGKSA-N 1 0 266.385 2.158 10 0 CEAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1cn(CCCO)nn1 ZINC000090638245 180017422 /nfs/dbraw/zinc/01/74/22/180017422.db2.gz KORLZPKHQDPFRG-HUUCEWRRSA-N 1 0 294.443 2.355 10 0 CEAERO C[C@@H](OCCOc1cccc(C[NH3+])c1)C(F)(F)F ZINC000090671923 180020897 /nfs/dbraw/zinc/02/08/97/180020897.db2.gz VEDCHHLKXJLLAC-SECBINFHSA-N 1 0 263.259 2.492 10 0 CEAERO C[C@@H](OC[C@@H](O)c1ccc(C[NH3+])cc1)C(F)(F)F ZINC000090671983 180020997 /nfs/dbraw/zinc/02/09/97/180020997.db2.gz LEULNQCWENUHPY-LDYMZIIASA-N 1 0 263.259 2.146 10 0 CEAERO C[C@@H](Oc1nc2c(cc1C[NH3+])CCC2)C(F)(F)F ZINC000090671287 180021244 /nfs/dbraw/zinc/02/12/44/180021244.db2.gz BAWWVXKFVCOITH-SSDOTTSWSA-N 1 0 260.259 2.359 10 0 CEAERO CC(C)OCCC[NH2+]CCO[C@H](C)C(F)(F)F ZINC000090675783 180022440 /nfs/dbraw/zinc/02/24/40/180022440.db2.gz QNUZGIJTPPLNTC-SNVBAGLBSA-N 1 0 257.296 2.359 10 0 CEAERO CCC[NH2+][C@](C)(CO)CCO[C@@H](C)C(F)(F)F ZINC000090676006 180022508 /nfs/dbraw/zinc/02/25/08/180022508.db2.gz RIYCYDHQGXJQTP-UWVGGRQHSA-N 1 0 257.296 2.095 10 0 CEAERO CCCOc1cc(NC[C@H]2CCCC[C@@H]2[NH3+])ncn1 ZINC000090785730 180039927 /nfs/dbraw/zinc/03/99/27/180039927.db2.gz YWQYFTPBDBVVIZ-NEPJUHHUSA-N 1 0 264.373 2.195 10 0 CEAERO CCCOc1cc(N[C@@H]2c3ccccc3C[C@@H]2[NH3+])ncn1 ZINC000090785708 180040216 /nfs/dbraw/zinc/04/02/16/180040216.db2.gz OWUBHWWIVFVPGE-XJKSGUPXSA-N 1 0 284.363 2.302 10 0 CEAERO CC(C)Oc1cc(N[C@H]2CCCC[C@@H]2C[NH3+])ncn1 ZINC000090786206 180040520 /nfs/dbraw/zinc/04/05/20/180040520.db2.gz SPAAKWVACZDJMB-NEPJUHHUSA-N 1 0 264.373 2.193 10 0 CEAERO CCOC(=O)[C@@](C)([NH3+])CCCCSCCCOC ZINC000104445497 186004920 /nfs/dbraw/zinc/00/49/20/186004920.db2.gz NDPZUKGXASWYEV-ZDUSSCGKSA-N 1 0 277.430 2.207 10 0 CEAERO CCOc1ncnc(N(CC)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1C ZINC000090789567 180042132 /nfs/dbraw/zinc/04/21/32/180042132.db2.gz SZJIFUPHRSUTGD-PBWFPOADSA-N 1 0 290.411 2.293 10 0 CEAERO COc1ccc(OC)c([C@H](C)[NH2+]C[C@@H](C)[S@](C)=O)c1 ZINC000090842821 180044303 /nfs/dbraw/zinc/04/43/03/180044303.db2.gz WERSMMIBVOTACD-RMDKCXRXSA-N 1 0 285.409 2.121 10 0 CEAERO COc1ccc(OC)c([C@H](C)[NH2+]C[C@H](C)[S@](C)=O)c1 ZINC000090842820 180044552 /nfs/dbraw/zinc/04/45/52/180044552.db2.gz WERSMMIBVOTACD-ZHYXMNDGSA-N 1 0 285.409 2.121 10 0 CEAERO CC[NH2+][C@H]1C[C@H](OC2CCOCC2)C12CCCC2 ZINC000090862585 180047088 /nfs/dbraw/zinc/04/70/88/180047088.db2.gz DSKYOYMSTRKFBZ-KBPBESRZSA-N 1 0 253.386 2.493 10 0 CEAERO Cc1ccccc1[C@@H](CN)[N@H+](C)CC1CCOCC1 ZINC000104449632 186006272 /nfs/dbraw/zinc/00/62/72/186006272.db2.gz FTAQHEPNGOJVBU-MRXNPFEDSA-N 1 0 262.397 2.353 10 0 CEAERO CC[NH2+]Cc1cccc(SCCC(=O)N(C)C)c1 ZINC000090871250 180049209 /nfs/dbraw/zinc/04/92/09/180049209.db2.gz MFRQSFJBBCVVKJ-UHFFFAOYSA-N 1 0 266.410 2.367 10 0 CEAERO CN1CC[C@H](Sc2cccc(C[NH2+]C3CC3)c2)C1=O ZINC000090872125 180049682 /nfs/dbraw/zinc/04/96/82/180049682.db2.gz YOBAHGHPLFDFJG-AWEZNQCLSA-N 1 0 276.405 2.261 10 0 CEAERO CCC[NH2+]Cc1cccc(SC[C@H](O)COC)c1 ZINC000090871433 180049961 /nfs/dbraw/zinc/04/99/61/180049961.db2.gz UTJXDAVDYNWDOB-CYBMUJFWSA-N 1 0 269.410 2.286 10 0 CEAERO CC(C)[NH2+]Cc1cccc(S[C@@H]2CCS(=O)(=O)C2)c1 ZINC000090872063 180050000 /nfs/dbraw/zinc/05/00/00/180050000.db2.gz YOVLHEWCRFITDK-CQSZACIVSA-N 1 0 299.461 2.464 10 0 CEAERO CC(C)[NH2+]Cc1cccc(SC[C@@H](C)C(N)=O)c1 ZINC000090872061 180050069 /nfs/dbraw/zinc/05/00/69/180050069.db2.gz ZOYCOBGQUGKGSN-LLVKDONJSA-N 1 0 266.410 2.398 10 0 CEAERO CC[NH2+]Cc1cccc(SCCC(=O)OC)c1 ZINC000090871310 180050267 /nfs/dbraw/zinc/05/02/67/180050267.db2.gz WGVZRMQIHOXOIM-UHFFFAOYSA-N 1 0 253.367 2.451 10 0 CEAERO CC[C@@]1(C)C[NH2+]CCN1C[C@@H]1Cc2ccccc2O1 ZINC000090878257 180051918 /nfs/dbraw/zinc/05/19/18/180051918.db2.gz JWSAGLYFCYZDMJ-HOCLYGCPSA-N 1 0 260.381 2.064 10 0 CEAERO CC[NH2+]Cc1cnn(C[C@@H]2Cc3ccccc3O2)c1C ZINC000090877742 180051946 /nfs/dbraw/zinc/05/19/46/180051946.db2.gz NJNAWRVWNUHKNZ-HNNXBMFYSA-N 1 0 271.364 2.305 10 0 CEAERO C[C@@H]1CN(C[C@@H]2Cc3ccccc3O2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000090878290 180052035 /nfs/dbraw/zinc/05/20/35/180052035.db2.gz FTTDWDPYKFVLAK-RPVQJOFSSA-N 1 0 286.419 2.453 10 0 CEAERO Fc1ccc2c(c1)C[C@H](C[NH2+]CCc1ccncc1)O2 ZINC000090892217 180053920 /nfs/dbraw/zinc/05/39/20/180053920.db2.gz RHUZYTFZCNOSIY-OAHLLOKOSA-N 1 0 272.323 2.357 10 0 CEAERO COc1ncccc1C[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892207 180053969 /nfs/dbraw/zinc/05/39/69/180053969.db2.gz ZPDIJIPQJSXOJA-AWEZNQCLSA-N 1 0 288.322 2.323 10 0 CEAERO NC(=S)CC[N@H+](C[C@@H]1Cc2cc(F)ccc2O1)C1CC1 ZINC000090893174 180054805 /nfs/dbraw/zinc/05/48/05/180054805.db2.gz KUVAFEWOFBLSKY-ZDUSSCGKSA-N 1 0 294.395 2.270 10 0 CEAERO CC[NH2+]C[C@H]1CCCN1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893516 180055231 /nfs/dbraw/zinc/05/52/31/180055231.db2.gz VDWSXVKAHZWHBF-CABCVRRESA-N 1 0 278.371 2.203 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[NH2+]C[C@@H]1CCCOC1)O2 ZINC000090897496 180056910 /nfs/dbraw/zinc/05/69/10/180056910.db2.gz DHJHANBZTLXCAU-DZGCQCFKSA-N 1 0 261.365 2.315 10 0 CEAERO Cc1ccc2c(c1)C[C@H](CN(CC[NH3+])CC(C)C)O2 ZINC000090898943 180057768 /nfs/dbraw/zinc/05/77/68/180057768.db2.gz VGUNGZLNITZOEW-OAHLLOKOSA-N 1 0 262.397 2.215 10 0 CEAERO CC[NH2+]Cc1nccn1C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090900415 180058860 /nfs/dbraw/zinc/05/88/60/180058860.db2.gz CLBNXJRTTINFQM-AWEZNQCLSA-N 1 0 271.364 2.305 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[N@@H+]1CCCC[C@@H]1CO)O2 ZINC000090900905 180059006 /nfs/dbraw/zinc/05/90/06/180059006.db2.gz SUNJZUIGEYJGED-HUUCEWRRSA-N 1 0 261.365 2.145 10 0 CEAERO Clc1ccc2c(c1)C[C@H](C[NH2+][C@H]1CN3CCC1CC3)O2 ZINC000090903391 180059695 /nfs/dbraw/zinc/05/96/95/180059695.db2.gz ZIEWXBMOEXJKOK-CABCVRRESA-N 1 0 292.810 2.327 10 0 CEAERO [NH3+]C[C@H](C1CCCCCC1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905696 180059821 /nfs/dbraw/zinc/05/98/21/180059821.db2.gz ICQIUSHGUZTLCB-QLFBSQMISA-N 1 0 252.402 2.147 10 0 CEAERO Clc1ccc2c(c1)C[C@H](C[NH2+]C[C@@H]1CCOC1)O2 ZINC000090903839 180059888 /nfs/dbraw/zinc/05/98/88/180059888.db2.gz DYCLPYAFIWZSTN-GXFFZTMASA-N 1 0 267.756 2.270 10 0 CEAERO CCCNc1ncccc1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000090907387 180061290 /nfs/dbraw/zinc/06/12/90/180061290.db2.gz IGTZAENWMXZHDF-OKILXGFUSA-N 1 0 261.369 2.267 10 0 CEAERO CC(C)(C)[C@H](CC[NH3+])CCC(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090907889 180061773 /nfs/dbraw/zinc/06/17/73/180061773.db2.gz LUKSJNROSHILSW-MELADBBJSA-N 1 0 282.428 2.168 10 0 CEAERO [NH3+]CC1(CN2C[C@H]3CC[C@@H](C2)O3)CCCCCC1 ZINC000090907487 180061963 /nfs/dbraw/zinc/06/19/63/180061963.db2.gz RMPYCBMEMVLVSC-OKILXGFUSA-N 1 0 252.402 2.149 10 0 CEAERO CC[C@](C)(C[NH2+]C1CC1)CN1C[C@H]2CC[C@@H](C1)O2 ZINC000090907528 180061973 /nfs/dbraw/zinc/06/19/73/180061973.db2.gz ZGOPNFXEEYDZOA-QLFBSQMISA-N 1 0 252.402 2.018 10 0 CEAERO Nc1ccsc1C[NH2+]C[C@@H]1CCCC[C@@H]1CO ZINC000090960901 180075967 /nfs/dbraw/zinc/07/59/67/180075967.db2.gz UOOSGAXWOZUGNH-WDEREUQCSA-N 1 0 254.399 2.219 10 0 CEAERO CC[NH2+]Cc1cn(CCCC(=O)NC)c2ccccc12 ZINC000090995410 180082902 /nfs/dbraw/zinc/08/29/02/180082902.db2.gz MSENGQJKQZTVAM-UHFFFAOYSA-N 1 0 273.380 2.277 10 0 CEAERO CCOCn1cc(C[NH2+]CCOC)c2ccccc21 ZINC000090995658 180082955 /nfs/dbraw/zinc/08/29/55/180082955.db2.gz DJZPBGBWIZSMNN-UHFFFAOYSA-N 1 0 262.353 2.371 10 0 CEAERO CC[NH2+]Cc1cccn1CC(=O)Nc1cccc(F)c1 ZINC000090995964 180083365 /nfs/dbraw/zinc/08/33/65/180083365.db2.gz NBAVEKFJDUHYCZ-UHFFFAOYSA-N 1 0 275.327 2.375 10 0 CEAERO Cc1nn(C)c(Cn2cccc2C[NH2+]C2CC2)c1Cl ZINC000091001393 180083517 /nfs/dbraw/zinc/08/35/17/180083517.db2.gz LTWGMYUHIMNNFJ-UHFFFAOYSA-N 1 0 278.787 2.484 10 0 CEAERO CC[C@@H](C)NC(=O)Cn1nc(C)c(C[NH2+]CC(C)C)c1C ZINC000091002287 180083935 /nfs/dbraw/zinc/08/39/35/180083935.db2.gz SERCDKBXBKLWHK-GFCCVEGCSA-N 1 0 294.443 2.160 10 0 CEAERO Cc1nc(Cn2ccnc2C[NH2+]CC(C)C)cs1 ZINC000091002834 180084031 /nfs/dbraw/zinc/08/40/31/180084031.db2.gz OSYHDWIICVSYDX-UHFFFAOYSA-N 1 0 264.398 2.442 10 0 CEAERO OC[C@@H]1CCCC[C@@H]1C[NH2+]Cc1c[nH]c2ncccc12 ZINC000091019115 180087046 /nfs/dbraw/zinc/08/70/46/180087046.db2.gz DBISFJCSMSUEQV-OLZOCXBDSA-N 1 0 273.380 2.451 10 0 CEAERO CCN(C)C(=O)Cn1cc(C[NH2+]C(C)C)c2cccnc21 ZINC000091020722 180087850 /nfs/dbraw/zinc/08/78/50/180087850.db2.gz UYQKPMBCKKWCNE-UHFFFAOYSA-N 1 0 288.395 2.013 10 0 CEAERO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1c[nH]c2ncccc12 ZINC000091019565 180088258 /nfs/dbraw/zinc/08/82/58/180088258.db2.gz LUSGRWHVZLGFQK-RISCZKNCSA-N 1 0 258.369 2.265 10 0 CEAERO Cn1ccnc1Cn1cc(C[NH2+]C2CC2)c2cccnc21 ZINC000091020968 180088533 /nfs/dbraw/zinc/08/85/33/180088533.db2.gz CXDJZSFDAWKJBB-UHFFFAOYSA-N 1 0 281.363 2.070 10 0 CEAERO CCCn1cccc1C[NH2+]CCc1nnc2ccccn21 ZINC000091022865 180088811 /nfs/dbraw/zinc/08/88/11/180088811.db2.gz XOEIIWPXZNGKPE-UHFFFAOYSA-N 1 0 283.379 2.273 10 0 CEAERO CCn1cccc1C[NH2+][C@@H](CO)Cc1ccccc1 ZINC000091127764 180099461 /nfs/dbraw/zinc/09/94/61/180099461.db2.gz BISVCDWIXQKCSC-OAHLLOKOSA-N 1 0 258.365 2.201 10 0 CEAERO C[C@H](NC(=O)C[C@H]1CSCC[NH2+]1)c1cccc(F)c1 ZINC000091138106 180105371 /nfs/dbraw/zinc/10/53/71/180105371.db2.gz ZXTNPSVTVDGOSY-GWCFXTLKSA-N 1 0 282.384 2.098 10 0 CEAERO C[C@@H](NC(=O)C[C@H]1CSCC[NH2+]1)c1cccc(F)c1 ZINC000091138108 180105823 /nfs/dbraw/zinc/10/58/23/180105823.db2.gz ZXTNPSVTVDGOSY-MFKMUULPSA-N 1 0 282.384 2.098 10 0 CEAERO CCN(CC[C@H]1C[NH2+]CCO1)c1ccccc1F ZINC000091314103 180133398 /nfs/dbraw/zinc/13/33/98/180133398.db2.gz ISBMKNSNPQIKNX-LBPRGKRZSA-N 1 0 252.333 2.031 10 0 CEAERO CCCCOCC[C@](C[NH3+])(c1ccccc1)[C@@H](C)O ZINC000091327609 180135705 /nfs/dbraw/zinc/13/57/05/180135705.db2.gz NAPGLXGYLAXCEM-GDBMZVCRSA-N 1 0 265.397 2.471 10 0 CEAERO C[C@@H](O)[C@](C[NH3+])(CCOCC(F)(F)F)c1ccccc1 ZINC000091327873 180135947 /nfs/dbraw/zinc/13/59/47/180135947.db2.gz GZQSSLVTFVIPBN-DGCLKSJQSA-N 1 0 291.313 2.233 10 0 CEAERO CCCc1c(C[NH3+])cnn1-c1ccc(Br)cn1 ZINC000091339884 180136149 /nfs/dbraw/zinc/13/61/49/180136149.db2.gz NSAMQXPSSSUVBZ-UHFFFAOYSA-N 1 0 295.184 2.441 10 0 CEAERO CC[NH2+]Cc1cnn(-c2ccccn2)c1C(F)F ZINC000091335622 180136546 /nfs/dbraw/zinc/13/65/46/180136546.db2.gz HYDPKCQVBNOZGN-UHFFFAOYSA-N 1 0 252.268 2.314 10 0 CEAERO C[NH2+]Cc1cnn(-c2cc(C)ccn2)c1C(F)F ZINC000091338342 180136621 /nfs/dbraw/zinc/13/66/21/180136621.db2.gz FCFIZRNHOJOQKB-UHFFFAOYSA-N 1 0 252.268 2.233 10 0 CEAERO Cc1ccc([C@@H]([NH2+]CC[S@](C)=O)C2CC2)cc1 ZINC000091341692 180137314 /nfs/dbraw/zinc/13/73/14/180137314.db2.gz WYKWUIQGDMUYLK-RHSMWYFYSA-N 1 0 251.395 2.414 10 0 CEAERO C[C@@H](CO)CSC[C@@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000091260485 180115718 /nfs/dbraw/zinc/11/57/18/180115718.db2.gz SJHRLYKICKXBTF-WCQYABFASA-N 1 0 297.420 2.209 10 0 CEAERO [NH3+][C@H]1CCCCN(C2CC2)[C@@H]1c1cncn1C1CC1 ZINC000091275677 180118462 /nfs/dbraw/zinc/11/84/62/180118462.db2.gz AXMYAUDLGNWLGN-ZFWWWQNUSA-N 1 0 260.385 2.235 10 0 CEAERO c1ncn(C2CC2)c1CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000091277038 180119699 /nfs/dbraw/zinc/11/96/99/180119699.db2.gz PXILTZNXQFYJOZ-HOTGVXAUSA-N 1 0 274.412 2.325 10 0 CEAERO CN(CC(C)(C)C)[C@@H](C[NH3+])c1cncn1C1CC1 ZINC000091276461 180120503 /nfs/dbraw/zinc/12/05/03/180120503.db2.gz VOXQQFDECFPJDA-LBPRGKRZSA-N 1 0 250.390 2.196 10 0 CEAERO Cn1ncnc1C[C@@H]([NH3+])CSc1ccccc1Cl ZINC000091279018 180120922 /nfs/dbraw/zinc/12/09/22/180120922.db2.gz KYNGBXFAZSHAJS-SECBINFHSA-N 1 0 282.800 2.131 10 0 CEAERO CCCn1ncnc1C[C@]1(CC(C)C)CCC[NH2+]1 ZINC000091446411 180156333 /nfs/dbraw/zinc/15/63/33/180156333.db2.gz KPGXDFGCZFHISE-CQSZACIVSA-N 1 0 250.390 2.399 10 0 CEAERO C[C@H]([NH3+])[C@H](c1cccc(Cl)c1)N(C)CC1CC(O)C1 ZINC000091459711 180161082 /nfs/dbraw/zinc/16/10/82/180161082.db2.gz CCTTUMPSUGGASJ-KCVDBAPCSA-N 1 0 282.815 2.431 10 0 CEAERO CN(CC1CC(O)C1)[C@H](C[NH3+])c1ccc(Cl)s1 ZINC000091464609 180163321 /nfs/dbraw/zinc/16/33/21/180163321.db2.gz DPGDRGJNNAGWGL-UDNWOFFPSA-N 1 0 274.817 2.104 10 0 CEAERO C[C@@](O)(CC[NH3+])Cc1ccc(OC(F)(F)F)cc1 ZINC000091465307 180163869 /nfs/dbraw/zinc/16/38/69/180163869.db2.gz LEJYBEFQNOTRBW-LLVKDONJSA-N 1 0 263.259 2.228 10 0 CEAERO CC[C@H](C)n1ccc(C[C@H](O)C[NH2+]CC(C)C)n1 ZINC000091467863 180164289 /nfs/dbraw/zinc/16/42/89/180164289.db2.gz ZFCYUQCWPINZSF-JSGCOSHPSA-N 1 0 253.390 2.003 10 0 CEAERO O[C@H](C[NH2+]C1CC1)c1ccccc1OC(F)(F)F ZINC000091470169 180164880 /nfs/dbraw/zinc/16/48/80/180164880.db2.gz KXTQROBNBBPDMH-SNVBAGLBSA-N 1 0 261.243 2.371 10 0 CEAERO CC(C)[C@H]1CCC(=O)[C@@H](C[N@H+](C)CC2CC(O)C2)C1 ZINC000091490729 180170035 /nfs/dbraw/zinc/17/00/35/180170035.db2.gz FFLPFROSLFYGRA-RAFNIBEQSA-N 1 0 267.413 2.331 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)Nc1ccc(F)cc1F ZINC000091496756 180172295 /nfs/dbraw/zinc/17/22/95/180172295.db2.gz VUONUYYDHFNZAR-LDYMZIIASA-N 1 0 269.295 2.227 10 0 CEAERO Cc1ncccc1NC(=O)c1ccccc1CC[NH3+] ZINC000091497139 180172532 /nfs/dbraw/zinc/17/25/32/180172532.db2.gz UFXMJTRJXKXVGU-UHFFFAOYSA-N 1 0 255.321 2.144 10 0 CEAERO CC1(C)CCc2nc([C@H]3C[NH2+]CCO3)sc2C1 ZINC000091499816 180174469 /nfs/dbraw/zinc/17/44/69/180174469.db2.gz FPASBNYCWUKDRO-SNVBAGLBSA-N 1 0 252.383 2.319 10 0 CEAERO CC(C)(NC(=O)C1C[NH2+]C1)c1ccc(Br)cc1 ZINC000091395870 180146625 /nfs/dbraw/zinc/14/66/25/180146625.db2.gz BVQCINORSUYLRZ-UHFFFAOYSA-N 1 0 297.196 2.020 10 0 CEAERO O=C(Nc1ccc(SC(F)F)cc1)C1C[NH2+]C1 ZINC000091406444 180147817 /nfs/dbraw/zinc/14/78/17/180147817.db2.gz LWXRMJHZGRUMKO-UHFFFAOYSA-N 1 0 258.293 2.159 10 0 CEAERO CC(C)[C@H](NC(=O)C1C[NH2+]C1)c1ccc(Cl)cc1 ZINC000091406448 180147818 /nfs/dbraw/zinc/14/78/18/180147818.db2.gz MOGLLWMOZCMXPG-ZDUSSCGKSA-N 1 0 266.772 2.373 10 0 CEAERO Cc1nc2ccccc2n1CC[NH2+]Cc1cnco1 ZINC000091409073 180148409 /nfs/dbraw/zinc/14/84/09/180148409.db2.gz LUKBSEREPLJYMG-UHFFFAOYSA-N 1 0 256.309 2.123 10 0 CEAERO CCn1cc(C[C@@H](O)C(C)(C)[NH+]2CCCCC2)cn1 ZINC000091564035 180193617 /nfs/dbraw/zinc/19/36/17/180193617.db2.gz ZIOOAJUXXBEMAQ-CQSZACIVSA-N 1 0 265.401 2.071 10 0 CEAERO Cc1ccc(C)c([C@@H]([NH3+])C(C)(C)N2CCOCC2)c1 ZINC000091566306 180193951 /nfs/dbraw/zinc/19/39/51/180193951.db2.gz LDIVOEAAVXHGHR-OAHLLOKOSA-N 1 0 262.397 2.414 10 0 CEAERO C[NH2+][C@H](Cc1ccc(C)cc1)C(C)(C)N1CCOCC1 ZINC000091566519 180193982 /nfs/dbraw/zinc/19/39/82/180193982.db2.gz MFGZCEBDFMILRM-MRXNPFEDSA-N 1 0 276.424 2.236 10 0 CEAERO C[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)N1CCOCC1 ZINC000091566651 180194038 /nfs/dbraw/zinc/19/40/38/180194038.db2.gz LVRUSNOIXCQCMA-AWEZNQCLSA-N 1 0 266.360 2.197 10 0 CEAERO C[NH2+][C@H](c1ccc(OC)cc1C)C(C)(C)N1CCOCC1 ZINC000091566561 180194139 /nfs/dbraw/zinc/19/41/39/180194139.db2.gz BSLBBKGSFAVELI-MRXNPFEDSA-N 1 0 292.423 2.375 10 0 CEAERO C[NH2+][C@@H](Cc1ccccc1C)C(C)(C)N1CCOCC1 ZINC000091566612 180194266 /nfs/dbraw/zinc/19/42/66/180194266.db2.gz KQYNUKWOVYDHHQ-INIZCTEOSA-N 1 0 276.424 2.236 10 0 CEAERO CCCn1ncnc1C[C@@H](N)C(C)(C)[NH+]1CCCCCC1 ZINC000091568046 180194927 /nfs/dbraw/zinc/19/49/27/180194927.db2.gz VCDMKMIZOSUABT-CQSZACIVSA-N 1 0 293.459 2.213 10 0 CEAERO CC[NH2+][C@H](CCC[C@H]1CCCO1)C(C)(C)N1CCOCC1 ZINC000091567025 180195095 /nfs/dbraw/zinc/19/50/95/180195095.db2.gz MSGHQIUIPYZUNZ-JKSUJKDBSA-N 1 0 298.471 2.425 10 0 CEAERO CC[C@@](C)([C@@H](N)Cc1nn(C)c2ccccc12)[NH+](C)C ZINC000091569742 180195608 /nfs/dbraw/zinc/19/56/08/180195608.db2.gz NVWXCNZDTGRXNU-HOTGVXAUSA-N 1 0 274.412 2.173 10 0 CEAERO CC[NH2+][C@H](c1cnccc1N)[C@](C)(CC)N(C)C ZINC000091571208 180195744 /nfs/dbraw/zinc/19/57/44/180195744.db2.gz WNNFZCXFRMDGGQ-KGLIPLIRSA-N 1 0 250.390 2.045 10 0 CEAERO CCn1cc([C@@H](O)[C@@](C)(CC)[NH+](CC)CC)cn1 ZINC000091572857 180196111 /nfs/dbraw/zinc/19/61/11/180196111.db2.gz NGVPNPMPXNEXFX-ZIAGYGMSSA-N 1 0 253.390 2.447 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccnc(N)c1)[C@@](C)(CC)N(C)C ZINC000091571752 180196218 /nfs/dbraw/zinc/19/62/18/180196218.db2.gz QIIRGBCTOGAUQA-GOEBONIOSA-N 1 0 278.444 2.305 10 0 CEAERO CCn1nccc1[C@@H](O)[C@](C)(CC)[NH+](CC)CC ZINC000091572768 180196226 /nfs/dbraw/zinc/19/62/26/180196226.db2.gz JGTZXSFXPFNLOL-KGLIPLIRSA-N 1 0 253.390 2.447 10 0 CEAERO CCC[NH2+][C@@H](c1cnn(C)c1)[C@](C)(CC)N(C)C ZINC000091572022 180196598 /nfs/dbraw/zinc/19/65/98/180196598.db2.gz ANWLKOWJALBRBV-KBPBESRZSA-N 1 0 252.406 2.191 10 0 CEAERO CCN(CC)[C@@](C)(CC)[C@H](Cc1cccnc1N)[NH2+]C ZINC000091599400 180202436 /nfs/dbraw/zinc/20/24/36/180202436.db2.gz RWVIBLQHTXVEDF-HOCLYGCPSA-N 1 0 278.444 2.305 10 0 CEAERO CCn1nccc1[C@@H](N)[C@](C)(CC)[NH+]1CCCC1 ZINC000091604657 180203374 /nfs/dbraw/zinc/20/33/74/180203374.db2.gz HWIOOHHWVDKJKW-KGLIPLIRSA-N 1 0 250.390 2.167 10 0 CEAERO CCn1nc(C)cc1C[C@H](O)[C@](C)(CC)[NH+]1CCCC1 ZINC000091602560 180203477 /nfs/dbraw/zinc/20/34/77/180203477.db2.gz XEOFHNLGVTVNDU-HOTGVXAUSA-N 1 0 279.428 2.379 10 0 CEAERO CCc1cc(C[C@@H](N)[C@@](C)(CC)[NH+]2CCCC2)n(C)n1 ZINC000091605400 180204239 /nfs/dbraw/zinc/20/42/39/180204239.db2.gz FJFDOCCNWRTKMI-HZPDHXFCSA-N 1 0 278.444 2.117 10 0 CEAERO CCn1cc(C[C@H](N)[C@](C)(CC)[NH+]2CCCC2)cn1 ZINC000091605037 180204476 /nfs/dbraw/zinc/20/44/76/180204476.db2.gz CZDYLQNQVZCHMR-GJZGRUSLSA-N 1 0 264.417 2.037 10 0 CEAERO CCn1cc([C@H](N)[C@](C)(CC)[NH+]2CCCC2)cn1 ZINC000091605645 180204517 /nfs/dbraw/zinc/20/45/17/180204517.db2.gz XXHGFIUREVGJAA-KBPBESRZSA-N 1 0 250.390 2.167 10 0 CEAERO CC[C@](C)([C@@H](NC)c1cc(C)cnc1N)[NH+]1CCCC1 ZINC000091606177 180204622 /nfs/dbraw/zinc/20/46/22/180204622.db2.gz INOUANOGDVAXSK-GOEBONIOSA-N 1 0 276.428 2.497 10 0 CEAERO CC[C@@](C)([C@H](O)Cc1cccc(F)c1)[NH+]1CCOCC1 ZINC000091610981 180205160 /nfs/dbraw/zinc/20/51/60/180205160.db2.gz FSWFRXPJNBMBMH-CVEARBPZSA-N 1 0 281.371 2.230 10 0 CEAERO CC[C@@](C)([C@@H](O)Cc1ncnn1C(C)C)[NH+]1CCCCC1 ZINC000091608435 180205406 /nfs/dbraw/zinc/20/54/06/180205406.db2.gz KPVONCBMDICXNC-HOCLYGCPSA-N 1 0 294.443 2.417 10 0 CEAERO CC[C@@](C)([C@H]([NH3+])c1c(F)cccc1F)N1CCOCC1 ZINC000091611809 180206214 /nfs/dbraw/zinc/20/62/14/180206214.db2.gz RKMVUOAECPLGKZ-CABCVRRESA-N 1 0 284.350 2.466 10 0 CEAERO CC[C@@](C)([C@@H]([NH3+])c1ccc(OC)cc1)N1CCOCC1 ZINC000091611571 180206734 /nfs/dbraw/zinc/20/67/34/180206734.db2.gz ONNJOPJSLNTXJC-HOTGVXAUSA-N 1 0 278.396 2.196 10 0 CEAERO CCCN1C(=O)C[C@@H]([NH2+]CCc2ccc(Cl)cc2)C1=O ZINC000104929526 186033073 /nfs/dbraw/zinc/03/30/73/186033073.db2.gz MHBMUFPFSRFWQJ-CYBMUJFWSA-N 1 0 294.782 2.010 10 0 CEAERO CC[C@@](C)([C@H](O)Cc1ccccc1C)[NH+]1CCOCC1 ZINC000091611269 180206790 /nfs/dbraw/zinc/20/67/90/180206790.db2.gz YGGPNNZQRBALMO-SJORKVTESA-N 1 0 277.408 2.399 10 0 CEAERO CC[C@@](C)([C@@H]([NH3+])c1ccc(F)c(F)c1)N1CCOCC1 ZINC000091611927 180207078 /nfs/dbraw/zinc/20/70/78/180207078.db2.gz BXIPGYAFNCATNA-GJZGRUSLSA-N 1 0 284.350 2.466 10 0 CEAERO CC[C@](C)([C@H](CCC(F)(F)F)[NH2+]C)N1CCOCC1 ZINC000091612704 180207423 /nfs/dbraw/zinc/20/74/23/180207423.db2.gz HVIWTDVXDYTQRD-NWDGAFQWSA-N 1 0 282.350 2.418 10 0 CEAERO CCC[NH2+][C@H](C1CC1)[C@](C)(CC)N1CCOCC1 ZINC000091613196 180207681 /nfs/dbraw/zinc/20/76/81/180207681.db2.gz VHMUGSOBLMFYIF-CABCVRRESA-N 1 0 254.418 2.266 10 0 CEAERO CC[NH2+][C@H](Cc1cc(C)nn1C)C(CC)(CC)N(C)C ZINC000091614814 180207684 /nfs/dbraw/zinc/20/76/84/180207684.db2.gz FZERTBSFDNDLKM-OAHLLOKOSA-N 1 0 280.460 2.370 10 0 CEAERO CCCn1ncnc1C[C@H](N)C(CC)(CC)[NH+](CC)CC ZINC000091616057 180207725 /nfs/dbraw/zinc/20/77/25/180207725.db2.gz OPCQMHARPCVIIO-AWEZNQCLSA-N 1 0 295.475 2.459 10 0 CEAERO CC[NH2+][C@H](c1cncnc1)C(CC)(CC)N(C)C ZINC000091614662 180207790 /nfs/dbraw/zinc/20/77/90/180207790.db2.gz GJMAKANBSXTUDC-CYBMUJFWSA-N 1 0 250.390 2.248 10 0 CEAERO CC[NH+](CC)C(CC)(CC)[C@@H](O)Cc1cnn(C)c1 ZINC000091615684 180207840 /nfs/dbraw/zinc/20/78/40/180207840.db2.gz KIEWLFGQYIXFRR-AWEZNQCLSA-N 1 0 267.417 2.224 10 0 CEAERO CC[NH+](CC)C(CC)(CC)[C@H](O)c1cncnc1 ZINC000091615585 180207991 /nfs/dbraw/zinc/20/79/91/180207991.db2.gz FMEHHKOJBYAAEN-CYBMUJFWSA-N 1 0 251.374 2.411 10 0 CEAERO Cc1nc(NC(=O)CC[NH2+]C2CC2)ccc1Br ZINC000091507296 180175745 /nfs/dbraw/zinc/17/57/45/180175745.db2.gz HLAPYPKXMFPWDI-UHFFFAOYSA-N 1 0 298.184 2.233 10 0 CEAERO COCC[NH2+]CC[C@](C)(O)c1cccc(C)c1C ZINC000091521059 180178036 /nfs/dbraw/zinc/17/80/36/180178036.db2.gz QWRBTQLPRVGVJJ-HNNXBMFYSA-N 1 0 251.370 2.137 10 0 CEAERO CCn1nc(C)c(Cl)c1C[C@@H](N)C(C)(C)[NH+](C)C ZINC000091528474 180180331 /nfs/dbraw/zinc/18/03/31/180180331.db2.gz KVXXRKZUTXXTHW-LLVKDONJSA-N 1 0 272.824 2.075 10 0 CEAERO C[NH2+][C@@H](Cc1nn(C)c2ccccc12)C(C)(C)N(C)C ZINC000091528625 180180696 /nfs/dbraw/zinc/18/06/96/180180696.db2.gz UBNVKJWAZOLSLL-HNNXBMFYSA-N 1 0 274.412 2.044 10 0 CEAERO Cc1nn(C)c(C[C@@H](O)C(C)(C)[NH+]2CCCC2)c1Cl ZINC000091533419 180181290 /nfs/dbraw/zinc/18/12/90/180181290.db2.gz KNSNKNIPMQXIGQ-GFCCVEGCSA-N 1 0 285.819 2.160 10 0 CEAERO CCCn1cc([C@@H](O)C(C)(C)[NH+]2CCCC2)cn1 ZINC000091533386 180181728 /nfs/dbraw/zinc/18/17/28/180181728.db2.gz CAQCJLUMAQLMNC-CYBMUJFWSA-N 1 0 251.374 2.201 10 0 CEAERO [NH3+][C@@H]1CC[C@H](C(=O)Nc2cc3c(cc2Cl)OCO3)C1 ZINC000091541036 180183531 /nfs/dbraw/zinc/18/35/31/180183531.db2.gz HCNQHWOCYGYADD-JGVFFNPUSA-N 1 0 282.727 2.135 10 0 CEAERO COC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000091543548 180185004 /nfs/dbraw/zinc/18/50/04/180185004.db2.gz SNMNXZGFMLVJHE-SCZZXKLOSA-N 1 0 296.754 2.193 10 0 CEAERO CC(C)C(=O)Nc1ccc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000091546183 180187076 /nfs/dbraw/zinc/18/70/76/180187076.db2.gz BUQZEVAEKYDNQL-NWDGAFQWSA-N 1 0 289.379 2.347 10 0 CEAERO CCN[C@H](c1nccn1CC)C1([NH+](C)C)CCCC1 ZINC000091638134 180212071 /nfs/dbraw/zinc/21/20/71/180212071.db2.gz BPEMUEFQPCIAEB-CYBMUJFWSA-N 1 0 264.417 2.428 10 0 CEAERO CC[NH+](CC)C1([C@H](O)c2cnccc2N)CCCC1 ZINC000091639028 180212462 /nfs/dbraw/zinc/21/24/62/180212462.db2.gz VJUVAWDRCAATRN-CQSZACIVSA-N 1 0 263.385 2.352 10 0 CEAERO CCN(CC)C1([C@H]([NH2+]C)[C@H]2CCOC2)CCCC1 ZINC000091639432 180212602 /nfs/dbraw/zinc/21/26/02/180212602.db2.gz UCDKNTKMDDRVSV-UONOGXRCSA-N 1 0 254.418 2.266 10 0 CEAERO Cc1cc(C[C@H](N)C2([NH+]3CCCCC3)CCCC2)n(C)n1 ZINC000091641965 180213172 /nfs/dbraw/zinc/21/31/72/180213172.db2.gz RDPLAEWKBYAYIL-INIZCTEOSA-N 1 0 290.455 2.397 10 0 CEAERO CN[C@H](c1nccn1C)C1([NH+]2CCCCC2)CCCC1 ZINC000091642124 180213257 /nfs/dbraw/zinc/21/32/57/180213257.db2.gz ODJINOACRNVXHW-CQSZACIVSA-N 1 0 276.428 2.479 10 0 CEAERO Cc1ccnc(N)c1[C@@H](N)C1([NH+]2CCCC2)CCCC1 ZINC000091640537 180213295 /nfs/dbraw/zinc/21/32/95/180213295.db2.gz MELLTWBDMPFIMT-CQSZACIVSA-N 1 0 274.412 2.381 10 0 CEAERO [NH3+][C@H](C1CCCC1)C1(N2CCOCC2)CCCC1 ZINC000091642918 180214087 /nfs/dbraw/zinc/21/40/87/180214087.db2.gz DQJKIXAGYZPOAO-CQSZACIVSA-N 1 0 252.402 2.149 10 0 CEAERO C[NH2+][C@H](Cc1cccnc1N)C1(N(C)C)CCCCC1 ZINC000091647490 180215260 /nfs/dbraw/zinc/21/52/60/180215260.db2.gz YFHLIJSJSWXXMA-CQSZACIVSA-N 1 0 276.428 2.059 10 0 CEAERO CC[NH2+][C@H](Cc1ccnc(N)c1)C1(N(C)C)CCCCC1 ZINC000091647749 180215547 /nfs/dbraw/zinc/21/55/47/180215547.db2.gz DLOYCBQLRLOPIK-OAHLLOKOSA-N 1 0 290.455 2.449 10 0 CEAERO CCC[NH2+][C@H](CC)C1(N2CCOCC2)CCCC1 ZINC000091646318 180215754 /nfs/dbraw/zinc/21/57/54/180215754.db2.gz JSXOSYZJYPBCMJ-CQSZACIVSA-N 1 0 254.418 2.410 10 0 CEAERO CCc1cc(C[C@H](N)C2([NH+](C)C)CCC(C)CC2)n(C)n1 ZINC000091648887 180216345 /nfs/dbraw/zinc/21/63/45/180216345.db2.gz PETXDPSPHPZGNM-PWZRNIHTSA-N 1 0 292.471 2.363 10 0 CEAERO CCCn1ncnc1CC(=O)[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000091650731 180216396 /nfs/dbraw/zinc/21/63/96/180216396.db2.gz IRZDYOOEUYNXPA-XJKSGUPXSA-N 1 0 292.427 2.310 10 0 CEAERO CC1CCC([C@@H](O)Cc2ccncc2)([NH+](C)C)CC1 ZINC000091648630 180216454 /nfs/dbraw/zinc/21/64/54/180216454.db2.gz CWXYFRABYMSNSP-SIWZUTFBSA-N 1 0 262.397 2.496 10 0 CEAERO CN[C@@H](c1nccn1C)C1([NH+](C)C)CCC(C)CC1 ZINC000091649126 180216675 /nfs/dbraw/zinc/21/66/75/180216675.db2.gz IBKDPJMHYIBWDS-OWYJLGKBSA-N 1 0 264.417 2.191 10 0 CEAERO C[NH2+][C@H](Cc1cccnc1N)C1(N(C)C)CCCCCC1 ZINC000091654460 180217272 /nfs/dbraw/zinc/21/72/72/180217272.db2.gz MVYYWWTVLRXOAI-OAHLLOKOSA-N 1 0 290.455 2.449 10 0 CEAERO C[N@@H+]1CCC[C@H](CNc2nc(Cl)ncc2F)C1 ZINC000091655513 180217823 /nfs/dbraw/zinc/21/78/23/180217823.db2.gz GUCMTENPFHNYJF-MRVPVSSYSA-N 1 0 258.728 2.023 10 0 CEAERO CC[N@@H+]1CC[C@@H](CNc2nc(Cl)ncc2C)C1 ZINC000091658303 180218310 /nfs/dbraw/zinc/21/83/10/180218310.db2.gz FVKMBFIRNDMFJY-JTQLQIEISA-N 1 0 254.765 2.192 10 0 CEAERO Nc1ccc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(Cl)c1 ZINC000091662821 180220069 /nfs/dbraw/zinc/22/00/69/180220069.db2.gz FDIZFRBPEMNCNS-VXGBXAGGSA-N 1 0 281.787 2.197 10 0 CEAERO CCOc1ccccc1[C@H](C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000091666722 180222126 /nfs/dbraw/zinc/22/21/26/180222126.db2.gz JZVHYXGJGJJZPB-KBPBESRZSA-N 1 0 278.396 2.067 10 0 CEAERO Cc1ccsc1[C@@H](C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000091667214 180223206 /nfs/dbraw/zinc/22/32/06/180223206.db2.gz LHRUTDRVDAFBQV-NEPJUHHUSA-N 1 0 254.399 2.038 10 0 CEAERO Cc1ccsc1[C@H](C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000091667215 180223234 /nfs/dbraw/zinc/22/32/34/180223234.db2.gz LHRUTDRVDAFBQV-RYUDHWBXSA-N 1 0 254.399 2.038 10 0 CEAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1nc2ccccc2s1 ZINC000091667200 180223535 /nfs/dbraw/zinc/22/35/35/180223535.db2.gz MCJIVRPZALCXOO-RYUDHWBXSA-N 1 0 291.420 2.278 10 0 CEAERO Cc1cc2c(n1C[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)CCC[C@@H]2O ZINC000091679049 180225428 /nfs/dbraw/zinc/22/54/28/180225428.db2.gz DAHBGWULBLBLDH-KEYYUXOJSA-N 1 0 290.407 2.029 10 0 CEAERO O[C@@H]1CCCc2nc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)sc21 ZINC000091722621 180239532 /nfs/dbraw/zinc/23/95/32/180239532.db2.gz DSEUGMJKCUXHSV-JLLWLGSASA-N 1 0 280.393 2.049 10 0 CEAERO O[C@H](c1cccc(Cl)c1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091715461 180232422 /nfs/dbraw/zinc/23/24/22/180232422.db2.gz ZWTPXANSOARXJO-MGPQQGTHSA-N 1 0 267.756 2.237 10 0 CEAERO CC[NH2+][C@H](C)c1sc([C@H]2CN(C)CCO2)nc1C ZINC000091722425 180239594 /nfs/dbraw/zinc/23/95/94/180239594.db2.gz VEIGEHNJENXWKP-MWLCHTKSSA-N 1 0 269.414 2.125 10 0 CEAERO CCC[NH2+][C@H](c1cc(F)ccc1F)[C@@H]1CN(C)CCO1 ZINC000091718939 180233280 /nfs/dbraw/zinc/23/32/80/180233280.db2.gz FABJAYPEHIELDT-LSDHHAIUSA-N 1 0 284.350 2.336 10 0 CEAERO CC[NH2+][C@H](c1cc(C)ccc1F)[C@@H]1CN(C)CCO1 ZINC000091718719 180233492 /nfs/dbraw/zinc/23/34/92/180233492.db2.gz GEEYMPAQNNUQQB-LSDHHAIUSA-N 1 0 266.360 2.115 10 0 CEAERO CCC[NH2+][C@H](Cc1ccc(CC)cc1)[C@@H]1CN(C)CCO1 ZINC000091718995 180234287 /nfs/dbraw/zinc/23/42/87/180234287.db2.gz UXOTUKVXUGNWLS-MSOLQXFVSA-N 1 0 290.451 2.490 10 0 CEAERO CCC[NH2+][C@@H](c1ccc(F)c(F)c1)[C@@H]1CN(C)CCO1 ZINC000091719282 180234346 /nfs/dbraw/zinc/23/43/46/180234346.db2.gz RFVLIMFCPWKXDB-GJZGRUSLSA-N 1 0 284.350 2.336 10 0 CEAERO [NH3+][C@H](Cc1ccc(Cl)s1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091720494 180235736 /nfs/dbraw/zinc/23/57/36/180235736.db2.gz UNERCHWNKACLOX-JLLWLGSASA-N 1 0 286.828 2.135 10 0 CEAERO CC(C)(C)C1CCC([NH2+][C@H]2CCOC[C@@H]2O)CC1 ZINC000624234948 350238463 /nfs/dbraw/zinc/23/84/63/350238463.db2.gz ABMCYPPWVYLKAR-HOAMVYINSA-N 1 0 255.402 2.331 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1ccc(Cl)s1 ZINC000624235089 350238587 /nfs/dbraw/zinc/23/85/87/350238587.db2.gz DFMMYHJFFSGKGD-YIZRAAEISA-N 1 0 261.774 2.202 10 0 CEAERO CCCCC[C@H]([NH2+]CC)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721738 180238758 /nfs/dbraw/zinc/23/87/58/180238758.db2.gz ASFMYIZFDJSNCU-QLFBSQMISA-N 1 0 254.418 2.408 10 0 CEAERO CCc1ccc(C(=O)N2[C@H](C)CCC[C@H]2C[NH3+])o1 ZINC000091762767 180248255 /nfs/dbraw/zinc/24/82/55/180248255.db2.gz UULNGINQSWAMJG-MNOVXSKESA-N 1 0 250.342 2.184 10 0 CEAERO C[NH2+][C@@H](C)c1cccn1CC(=O)N1CCCCCC1 ZINC000091800446 180259396 /nfs/dbraw/zinc/25/93/96/180259396.db2.gz BBMJBWCJVDJEHL-ZDUSSCGKSA-N 1 0 263.385 2.171 10 0 CEAERO O[C@@H]1CCC[C@H]1[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000309604237 539783969 /nfs/dbraw/zinc/78/39/69/539783969.db2.gz CIWQOIOZFDAJOK-GVDBMIGSSA-N 1 0 275.392 2.439 10 0 CEAERO CC[NH2+][C@H](Cc1ccccc1C)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721821 180239938 /nfs/dbraw/zinc/23/99/38/180239938.db2.gz NADDXUHFDFQHNV-KURKYZTESA-N 1 0 288.435 2.379 10 0 CEAERO Cc1nc(CN(C)C)nc(C)c1CCC[NH2+]CC(C)C ZINC000091723662 180241613 /nfs/dbraw/zinc/24/16/13/180241613.db2.gz WEPUDNAFWDBPSZ-UHFFFAOYSA-N 1 0 278.444 2.333 10 0 CEAERO CN1CCO[C@H](c2nc(-c3cccc(C[NH3+])c3)cs2)C1 ZINC000091723968 180241768 /nfs/dbraw/zinc/24/17/68/180241768.db2.gz BXNUNOSZALPJIG-AWEZNQCLSA-N 1 0 289.404 2.272 10 0 CEAERO C[C@H]([NH2+]CC1(O)CCSCC1)c1nccs1 ZINC000091726702 180243217 /nfs/dbraw/zinc/24/32/17/180243217.db2.gz KATJWDUYZZYFSD-VIFPVBQESA-N 1 0 258.412 2.052 10 0 CEAERO Cc1noc(C)c1C[N@@H+](C)C1CCC2(CC1)OCCO2 ZINC000091853486 180273479 /nfs/dbraw/zinc/27/34/79/180273479.db2.gz MUMQQMDCEXSNAM-UHFFFAOYSA-N 1 0 280.368 2.409 10 0 CEAERO Cn1c(Cl)cnc1C[N@H+](C)C1CCC2(CC1)OCCO2 ZINC000091853606 180273939 /nfs/dbraw/zinc/27/39/39/180273939.db2.gz GTLFELGHJQIION-UHFFFAOYSA-N 1 0 299.802 2.191 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)c2ccc3c(c2)COC3)CC1 ZINC000091854469 180274664 /nfs/dbraw/zinc/27/46/64/180274664.db2.gz CFGQRIXTYLJQRT-UHFFFAOYSA-N 1 0 288.391 2.319 10 0 CEAERO CCC[NH2+][C@H](C)c1cccn1CCC(=O)NC(C)C ZINC000091802412 180260177 /nfs/dbraw/zinc/26/01/77/180260177.db2.gz MEFFQAJSFDHMLN-CYBMUJFWSA-N 1 0 265.401 2.463 10 0 CEAERO CCC(CC)NC(=O)Cn1ccc([C@@H](CC)[NH2+]C)c1 ZINC000091816973 180262945 /nfs/dbraw/zinc/26/29/45/180262945.db2.gz VCOIHXPIHNEGMC-CQSZACIVSA-N 1 0 265.401 2.463 10 0 CEAERO CC[NH2+][C@H](CC)c1ccn(CC(=O)NCC(C)C)c1 ZINC000091817436 180263194 /nfs/dbraw/zinc/26/31/94/180263194.db2.gz KSPNNISERZYHKW-CQSZACIVSA-N 1 0 265.401 2.321 10 0 CEAERO CCC[C@@H](C)NC(=O)Cn1ccc([C@@H]([NH3+])CC)c1 ZINC000091816463 180263364 /nfs/dbraw/zinc/26/33/64/180263364.db2.gz BRLLBNIYHMBURR-YPMHNXCESA-N 1 0 251.374 2.203 10 0 CEAERO CC(C)[C@@H](O)c1ccn(C[C@H]2C[N@@H+](C(C)C)CCO2)c1 ZINC000091825371 180264889 /nfs/dbraw/zinc/26/48/89/180264889.db2.gz IOGUZFIWDOIQTB-JKSUJKDBSA-N 1 0 280.412 2.287 10 0 CEAERO CC[NH2+][C@@H](c1ccn(CCOCCOC)c1)C(C)C ZINC000091827674 180264984 /nfs/dbraw/zinc/26/49/84/180264984.db2.gz ZKEXCBRWIYPVIX-OAHLLOKOSA-N 1 0 268.401 2.458 10 0 CEAERO C[NH2+][C@@H](c1ccn(CC(=O)N(C)C(C)C)c1)C1CC1 ZINC000091836873 180268305 /nfs/dbraw/zinc/26/83/05/180268305.db2.gz OUTNOYJJFCKOJU-OAHLLOKOSA-N 1 0 263.385 2.025 10 0 CEAERO NC(=O)c1ccc(NC2CCC([NH3+])CC2)c(Cl)c1 ZINC000091843596 180268938 /nfs/dbraw/zinc/26/89/38/180268938.db2.gz HDJRGEDNHKGQIH-UHFFFAOYSA-N 1 0 267.760 2.121 10 0 CEAERO CC[NH2+]C1CCC(N(C)C(=O)c2cccc(O)c2)CC1 ZINC000091869646 180276124 /nfs/dbraw/zinc/27/61/24/180276124.db2.gz UPOCNDURBFSNDT-UHFFFAOYSA-N 1 0 276.380 2.385 10 0 CEAERO CCc1ccc(C(=O)N(C)C2CCC([NH3+])CC2)o1 ZINC000091845314 180269880 /nfs/dbraw/zinc/26/98/80/180269880.db2.gz DRCAVWXSHOCRNZ-UHFFFAOYSA-N 1 0 250.342 2.184 10 0 CEAERO CN(C(=O)c1cccn1C1CC1)C1CCC([NH3+])CC1 ZINC000091845335 180270290 /nfs/dbraw/zinc/27/02/90/180270290.db2.gz BBAZQKKLWKEYMU-UHFFFAOYSA-N 1 0 261.369 2.165 10 0 CEAERO O=C(NCC[C@@H]1CCCC[NH2+]1)N1CCCCCC1 ZINC000091971184 180295114 /nfs/dbraw/zinc/29/51/14/180295114.db2.gz WUXFUGNSCUKOPA-ZDUSSCGKSA-N 1 0 253.390 2.104 10 0 CEAERO COCC[NH2+]Cc1ncoc1-c1cc(F)c(F)c(F)c1 ZINC000091959510 180292099 /nfs/dbraw/zinc/29/20/99/180292099.db2.gz RKDUVRFMYRVQGH-UHFFFAOYSA-N 1 0 286.253 2.495 10 0 CEAERO CC[NH2+]Cc1ncoc1-c1ccc2c(c1)OCCO2 ZINC000091957704 180292735 /nfs/dbraw/zinc/29/27/35/180292735.db2.gz HGLZVTLUZAQJBY-UHFFFAOYSA-N 1 0 260.293 2.222 10 0 CEAERO [NH3+]CC1(NC(=O)N2CCCC2)CCCCCCC1 ZINC000091963070 180293134 /nfs/dbraw/zinc/29/31/34/180293134.db2.gz DPPVQPRFEKAJQW-UHFFFAOYSA-N 1 0 253.390 2.234 10 0 CEAERO C[NH2+]C1CCC(N(C)S(=O)(=O)c2ccccc2C)CC1 ZINC000091869999 180277462 /nfs/dbraw/zinc/27/74/62/180277462.db2.gz YRFWBDUDHWFFEV-UHFFFAOYSA-N 1 0 296.436 2.146 10 0 CEAERO [NH3+]C[C@]1([C@@H](O)c2ccccc2F)COc2ccccc2C1 ZINC000091910781 180285161 /nfs/dbraw/zinc/28/51/61/180285161.db2.gz ZLCNMJVERRLCOY-IRXDYDNUSA-N 1 0 287.334 2.439 10 0 CEAERO CSCC[C@@H](O)[C@]1(C[NH3+])CCCc2ccccc21 ZINC000091917484 180285823 /nfs/dbraw/zinc/28/58/23/180285823.db2.gz NEJKPNGOIQKIDX-CABCVRRESA-N 1 0 265.422 2.333 10 0 CEAERO [NH3+]CC1([C@H](O)Cc2ccccc2)Cc2ccccc2C1 ZINC000091914058 180285866 /nfs/dbraw/zinc/28/58/66/180285866.db2.gz KYPVPNVPSKYSLW-QGZVFWFLSA-N 1 0 267.372 2.334 10 0 CEAERO Cc1ccc(C(N)=[NH2+])cc1NC(=O)N1CCCCC1 ZINC000091969869 180295073 /nfs/dbraw/zinc/29/50/73/180295073.db2.gz CNQLQKVSROLPLQ-UHFFFAOYSA-N 1 0 260.341 2.297 10 0 CEAERO CC[C@@](O)(C1CC1)[C@@]1(C[NH3+])COc2ccccc2C1 ZINC000091921777 180286561 /nfs/dbraw/zinc/28/65/61/180286561.db2.gz INVXHOIAGPCLJB-JKSUJKDBSA-N 1 0 261.365 2.118 10 0 CEAERO CC(C)[C@@H]1C[C@](O)(C2(C[NH3+])Cc3ccccc3C2)CCO1 ZINC000091918905 180286617 /nfs/dbraw/zinc/28/66/17/180286617.db2.gz UMADANARLDARRZ-WMZOPIPTSA-N 1 0 289.419 2.296 10 0 CEAERO CC1(C)C[C@](O)([C@@]2(C[NH3+])CCc3ccccc3C2)CCO1 ZINC000091918959 180286818 /nfs/dbraw/zinc/28/68/18/180286818.db2.gz MJJRMLWQYVOPNM-ROUUACIJSA-N 1 0 289.419 2.441 10 0 CEAERO CCN1CCO[C@H](COc2ccc(Cl)cc2[C@@H](C)[NH3+])C1 ZINC000092051234 180312790 /nfs/dbraw/zinc/31/27/90/180312790.db2.gz NVRYZSAIBLBKOQ-YPMHNXCESA-N 1 0 298.814 2.459 10 0 CEAERO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CN(CC)CCO1 ZINC000092052328 180313349 /nfs/dbraw/zinc/31/33/49/180313349.db2.gz ITJUJUMUVNYFNX-KFWWJZLASA-N 1 0 254.418 2.266 10 0 CEAERO NC(=[NH2+])c1ccccc1NC(=O)N1CCCCCC1 ZINC000091971990 180295672 /nfs/dbraw/zinc/29/56/72/180295672.db2.gz PZXRSNAHIATFLF-UHFFFAOYSA-N 1 0 260.341 2.379 10 0 CEAERO C[C@@H]1CCCN(C(=O)NC2(C[NH3+])CCCCC2)C1 ZINC000091972810 180295911 /nfs/dbraw/zinc/29/59/11/180295911.db2.gz DTHCJJKMIVETPM-GFCCVEGCSA-N 1 0 253.390 2.090 10 0 CEAERO C[C@@H]1CCCN(C(=O)N(CC[NH3+])C2CCCC2)C1 ZINC000091972951 180295943 /nfs/dbraw/zinc/29/59/43/180295943.db2.gz JGPSPZBQUSLTOW-GFCCVEGCSA-N 1 0 253.390 2.042 10 0 CEAERO CC[NH2+]C1CCC(NC(=O)N2CCC[C@H](C)C2)CC1 ZINC000091972985 180296100 /nfs/dbraw/zinc/29/61/00/180296100.db2.gz NAOIGXUWPPOLLL-HSBZDZAISA-N 1 0 267.417 2.349 10 0 CEAERO CCN(C)C(=O)N(CCC[NH3+])C1CCCCCC1 ZINC000091972590 180296217 /nfs/dbraw/zinc/29/62/17/180296217.db2.gz BAKLXDFAFUCWFP-UHFFFAOYSA-N 1 0 255.406 2.432 10 0 CEAERO CC1CCN(C(=O)N(C)CCC2CC[NH2+]CC2)CC1 ZINC000091973182 180296534 /nfs/dbraw/zinc/29/65/34/180296534.db2.gz SAZHJRGWQGZMPW-UHFFFAOYSA-N 1 0 267.417 2.160 10 0 CEAERO CC1CCN(C(=O)N(C)CC[C@H]2CCCC[NH2+]2)CC1 ZINC000091973145 180296738 /nfs/dbraw/zinc/29/67/38/180296738.db2.gz ZTUZPGAJEKSHNT-CQSZACIVSA-N 1 0 267.417 2.302 10 0 CEAERO CC1CCN(C(=O)N[C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000091991053 180299812 /nfs/dbraw/zinc/29/98/12/180299812.db2.gz NEORGOQYNKVTNY-STQMWFEESA-N 1 0 253.390 2.088 10 0 CEAERO C[C@@H]1CCCN(C(=O)N2[C@H](C)CCC[C@@H]2C[NH3+])C1 ZINC000091991226 180299916 /nfs/dbraw/zinc/29/99/16/180299916.db2.gz WXBYSJCXEYNOOW-JHJVBQTASA-N 1 0 253.390 2.040 10 0 CEAERO CC1CCN(C(=O)N2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000091990812 180299957 /nfs/dbraw/zinc/29/99/57/180299957.db2.gz PGKGZJRWLLBDOK-ZIAGYGMSSA-N 1 0 265.401 2.055 10 0 CEAERO CC1CCN(C(=O)N(C)[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000091991537 180299982 /nfs/dbraw/zinc/29/99/82/180299982.db2.gz QXXDGUMNVZZLIK-UONOGXRCSA-N 1 0 267.417 2.288 10 0 CEAERO C[C@@H]1CCCN(C(=O)Nc2ccc(CC(N)=[NH2+])cc2)C1 ZINC000091993279 180300308 /nfs/dbraw/zinc/30/03/08/180300308.db2.gz YSLZAASOSZLKSL-LLVKDONJSA-N 1 0 274.368 2.429 10 0 CEAERO CC1CCN(C(=O)N[C@H]2c3ccccc3C[C@H]2[NH3+])CC1 ZINC000091993160 180300376 /nfs/dbraw/zinc/30/03/76/180300376.db2.gz HSLQLURAHGSVQR-CABCVRRESA-N 1 0 273.380 2.053 10 0 CEAERO CC1CCN(C(=O)N2CCC[C@H]2CCC[NH3+])CC1 ZINC000091993191 180300643 /nfs/dbraw/zinc/30/06/43/180300643.db2.gz JILUHBIKZNVXRW-CYBMUJFWSA-N 1 0 253.390 2.042 10 0 CEAERO CC[NH2+]Cc1nc(C)ccc1OC[C@@H]1CCCO1 ZINC000091994893 180301177 /nfs/dbraw/zinc/30/11/77/180301177.db2.gz ZHIKXVFGDRFKBV-LBPRGKRZSA-N 1 0 250.342 2.057 10 0 CEAERO Cc1ccc(O[C@@H](C)C(=O)N(C)C)c(C[NH2+]C(C)(C)C)n1 ZINC000091996184 180302129 /nfs/dbraw/zinc/30/21/29/180302129.db2.gz FPFDMLVBKYABRT-LBPRGKRZSA-N 1 0 293.411 2.134 10 0 CEAERO Cc1ccc(O[C@@H]2CCCC[C@@H]2O)c(C[NH2+]C2CC2)n1 ZINC000091995847 180302362 /nfs/dbraw/zinc/30/23/62/180302362.db2.gz SYCTXHUBUAGAPK-GOEBONIOSA-N 1 0 276.380 2.324 10 0 CEAERO CCOC[C@@H](O)COc1ccc(C)nc1C[NH2+]C(C)(C)C ZINC000091996049 180302499 /nfs/dbraw/zinc/30/24/99/180302499.db2.gz ANFSPSUMDVMWHC-CYBMUJFWSA-N 1 0 296.411 2.054 10 0 CEAERO Cc1ccc(OCC(C)(C)O)c(C[NH2+]CC(C)C)n1 ZINC000091996422 180302546 /nfs/dbraw/zinc/30/25/46/180302546.db2.gz LQRFEQVVQQOJSO-UHFFFAOYSA-N 1 0 266.385 2.285 10 0 CEAERO Cc1cc(COc2ccc(C)nc2C[C@H](C)[NH3+])on1 ZINC000091999975 180303627 /nfs/dbraw/zinc/30/36/27/180303627.db2.gz AEUHTBIRMDRFOV-VIFPVBQESA-N 1 0 261.325 2.155 10 0 CEAERO Cc1cc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1N ZINC000092005608 180305203 /nfs/dbraw/zinc/30/52/03/180305203.db2.gz CXKYDACRWRMACZ-CABCVRRESA-N 1 0 259.397 2.246 10 0 CEAERO CCNc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000092023870 180308432 /nfs/dbraw/zinc/30/84/32/180308432.db2.gz BKZLCSQIYXXHCL-CVEARBPZSA-N 1 0 287.407 2.427 10 0 CEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)NC(C)C)c(F)c1 ZINC000092115782 180327352 /nfs/dbraw/zinc/32/73/52/180327352.db2.gz YVKJBVUYSLHZBG-UHFFFAOYSA-N 1 0 288.388 2.012 10 0 CEAERO CCC(=O)Nc1ccc(Cl)c(NC(=O)[C@H](C)C[NH2+]C)c1 ZINC000092133070 180330584 /nfs/dbraw/zinc/33/05/84/180330584.db2.gz PRRZROLCPMUIDJ-SECBINFHSA-N 1 0 297.786 2.483 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)N1CCc2sccc2[C@H]1C1CC1 ZINC000092134253 180332226 /nfs/dbraw/zinc/33/22/26/180332226.db2.gz VOMQSRZNMHIDPB-IINYFYTJSA-N 1 0 278.421 2.439 10 0 CEAERO C[NH2+][C@H](Cc1ncc(C)c(OC)c1C)C(C)(C)OC ZINC000092138882 180333464 /nfs/dbraw/zinc/33/34/64/180333464.db2.gz LGXGYBYGHFQXDB-CYBMUJFWSA-N 1 0 266.385 2.263 10 0 CEAERO COC(C)(C)c1noc([C@@H]2CCCCC[C@@H]2[NH3+])n1 ZINC000092141324 180333646 /nfs/dbraw/zinc/33/36/46/180333646.db2.gz OVQJOKQWTYEZGX-ZJUUUORDSA-N 1 0 253.346 2.326 10 0 CEAERO C[C@@H]([NH3+])c1ccc(SC[C@@H]2CN(C)CCO2)cc1 ZINC000092080062 180318627 /nfs/dbraw/zinc/31/86/27/180318627.db2.gz DDANUUBTIGBWFN-YPMHNXCESA-N 1 0 266.410 2.129 10 0 CEAERO Cc1ccc(NC(=O)C[NH+]2C[C@H](C)[C@@H](C)C2)cc1N ZINC000092081437 180319308 /nfs/dbraw/zinc/31/93/08/180319308.db2.gz GJZMBELFJYJYAW-RYUDHWBXSA-N 1 0 261.369 2.104 10 0 CEAERO C[C@@H]1C[NH+](Cc2cc3c(cc2N)OCCO3)C[C@H]1C ZINC000092080862 180319860 /nfs/dbraw/zinc/31/98/60/180319860.db2.gz ZPGDCPJRIJBRDI-GHMZBOCLSA-N 1 0 262.353 2.128 10 0 CEAERO C[C@@H]1C[NH+](CCOc2ccc(C(N)=S)cc2)C[C@H]1C ZINC000092085486 180320276 /nfs/dbraw/zinc/32/02/76/180320276.db2.gz GZKBEYMBTLYGTQ-VXGBXAGGSA-N 1 0 278.421 2.287 10 0 CEAERO CCOC(=O)[C@@](C)(CCCC[N@@H+]1C[C@H](C)[C@H](C)C1)NC ZINC000092087456 180321267 /nfs/dbraw/zinc/32/12/67/180321267.db2.gz GOIDWVPTUHDRPF-IJEWVQPXSA-N 1 0 284.444 2.286 10 0 CEAERO CCOC(=O)[C@](C[N@@H+]1C[C@H](C)[C@H](C)C1)(NC(C)C)C1CC1 ZINC000092087549 180321462 /nfs/dbraw/zinc/32/14/62/180321462.db2.gz JLMRHDNXFSPWAH-JKIFEVAISA-N 1 0 296.455 2.284 10 0 CEAERO COC(=O)[C@](C)(C[C@H](C)[N@@H+]1C[C@H](C)[C@H](C)C1)NC(C)C ZINC000092087467 180321771 /nfs/dbraw/zinc/32/17/71/180321771.db2.gz MCDVENYNRWAREO-FQLMCAECSA-N 1 0 284.444 2.283 10 0 CEAERO CCN[C@](CO)(C[N@@H+]1C[C@H](C)[C@H](C)C1)c1ccccc1 ZINC000092090273 180322152 /nfs/dbraw/zinc/32/21/52/180322152.db2.gz RBTDBGFAFANKGY-UXLLHSPISA-N 1 0 276.424 2.072 10 0 CEAERO C[NH2+][C@@H](CN1C(=O)[C@H](C)[C@H](C)C1=O)c1cc(C)ccc1C ZINC000092094042 180323207 /nfs/dbraw/zinc/32/32/07/180323207.db2.gz FJUIFDZZUNRXEJ-GUTXKFCHSA-N 1 0 288.391 2.205 10 0 CEAERO C[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H](C)CC2)C[C@@H]1[NH+](C)C ZINC000465221109 290263477 /nfs/dbraw/zinc/26/34/77/290263477.db2.gz CRFQLZCTGDFXER-SYQHCUMBSA-N 1 0 267.417 2.157 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)Nc2nc3ccccc3s2)C1 ZINC000092201666 180342932 /nfs/dbraw/zinc/34/29/32/180342932.db2.gz VUXOYSMCGODZGH-DTWKUNHWSA-N 1 0 259.334 2.138 10 0 CEAERO CC(C)N(Cc1ccccc1)C(=O)[C@H]1C=C[C@H]([NH3+])C1 ZINC000092201425 180342944 /nfs/dbraw/zinc/34/29/44/180342944.db2.gz BSDPRRGWEQOOPW-GJZGRUSLSA-N 1 0 258.365 2.327 10 0 CEAERO Cc1ccc2nc(NC(=O)[C@H]3C=C[C@@H]([NH3+])C3)sc2c1 ZINC000092201235 180343063 /nfs/dbraw/zinc/34/30/63/180343063.db2.gz YPOJHOBXZVNFNU-VHSXEESVSA-N 1 0 273.361 2.447 10 0 CEAERO CC(=O)Nc1ccc(NC(=O)[C@H]2C=C[C@H]([NH3+])C2)cc1Cl ZINC000092202893 180343271 /nfs/dbraw/zinc/34/32/71/180343271.db2.gz LWZGHKZWDPQQPC-UWVGGRQHSA-N 1 0 293.754 2.140 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)Nc2ccc(Cl)c(F)c2)C1 ZINC000092203343 180343321 /nfs/dbraw/zinc/34/33/21/180343321.db2.gz YAALPOHAMSADEY-JGVFFNPUSA-N 1 0 254.692 2.321 10 0 CEAERO COc1ccc(C)cc1[C@H](C)NC(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092202752 180343406 /nfs/dbraw/zinc/34/34/06/180343406.db2.gz PBPZMDCQSDYWQB-RWMBFGLXSA-N 1 0 274.364 2.084 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2ccccc2N2CCCC2)C1 ZINC000092202716 180343502 /nfs/dbraw/zinc/34/35/02/180343502.db2.gz KPBQJVFASQVHDT-CHWSQXEVSA-N 1 0 271.364 2.129 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)N2CCC(c3ccccc3)CC2)C1 ZINC000092204758 180343664 /nfs/dbraw/zinc/34/36/64/180343664.db2.gz TVAYJHAZJFYRHP-HZPDHXFCSA-N 1 0 270.376 2.296 10 0 CEAERO CN(Cc1nc2ccccc2s1)C(=O)[C@@H]1C=C[C@H]([NH3+])C1 ZINC000092204608 180343727 /nfs/dbraw/zinc/34/37/27/180343727.db2.gz ISKJDYXLLGUNKB-MNOVXSKESA-N 1 0 287.388 2.158 10 0 CEAERO C[C@H](c1ccc(F)cc1)N(C)C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092204688 180343770 /nfs/dbraw/zinc/34/37/70/180343770.db2.gz SQEMFPZXCOFJDW-MPKXVKKWSA-N 1 0 262.328 2.249 10 0 CEAERO CSc1ccc(C(=O)N2[C@H](C)C[NH2+]C[C@@H]2C)cc1 ZINC000092232193 180348367 /nfs/dbraw/zinc/34/83/67/180348367.db2.gz KVSNCMPZPOBERZ-PHIMTYICSA-N 1 0 264.394 2.231 10 0 CEAERO [NH3+]CCCc1noc([C@@H]2Cc3ccccc3S2)n1 ZINC000092234135 180349168 /nfs/dbraw/zinc/34/91/68/180349168.db2.gz JDCCUETWQVANBB-NSHDSACASA-N 1 0 261.350 2.350 10 0 CEAERO C[NH2+]CCc1nnc([C@@H]2CSc3ccccc32)o1 ZINC000092240368 180351258 /nfs/dbraw/zinc/35/12/58/180351258.db2.gz JBTUCYCKTDMKJB-SNVBAGLBSA-N 1 0 261.350 2.069 10 0 CEAERO C[C@H]([NH2+]C[C@@H]1Cc2ccccc2S1)c1nncn1C ZINC000092243850 180351871 /nfs/dbraw/zinc/35/18/71/180351871.db2.gz NXCFQBVRJCDJDW-JQWIXIFHSA-N 1 0 274.393 2.183 10 0 CEAERO CC[N@@H+](CC(N)=S)C[C@H]1Cc2ccccc2S1 ZINC000092261055 180354140 /nfs/dbraw/zinc/35/41/40/180354140.db2.gz OSHAXICJWASDHO-LLVKDONJSA-N 1 0 266.435 2.311 10 0 CEAERO c1ccc2c(c1)C[C@@H](CN1CC[NH2+][C@H](C3CC3)C1)S2 ZINC000092272634 180356253 /nfs/dbraw/zinc/35/62/53/180356253.db2.gz AKXAFRNKEGTVLQ-GJZGRUSLSA-N 1 0 274.433 2.387 10 0 CEAERO C[C@@H](CCO)C[NH2+]C[C@H]1CSc2ccccc21 ZINC000092275799 180356413 /nfs/dbraw/zinc/35/64/13/180356413.db2.gz QVOARPOJCPCNED-RYUDHWBXSA-N 1 0 251.395 2.484 10 0 CEAERO Cc1noc(C[NH2+]C[C@H]2CSc3ccccc32)n1 ZINC000092274971 180356423 /nfs/dbraw/zinc/35/64/23/180356423.db2.gz VSQGMSRMOMPXSC-JTQLQIEISA-N 1 0 261.350 2.357 10 0 CEAERO c1ccc2c(c1)OC[C@@H]2C[NH2+]CCc1ccncc1 ZINC000092299721 180358475 /nfs/dbraw/zinc/35/84/75/180358475.db2.gz QAAKMNHSCRYFRB-AWEZNQCLSA-N 1 0 254.333 2.390 10 0 CEAERO CCN(CC)C[C@H](C)[NH2+]C[C@H]1COc2ccccc21 ZINC000092300584 180358609 /nfs/dbraw/zinc/35/86/09/180358609.db2.gz LNMFXYCNZVTKFQ-KBPBESRZSA-N 1 0 262.397 2.483 10 0 CEAERO Fc1ccc(F)c(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1 ZINC000105884174 186082986 /nfs/dbraw/zinc/08/29/86/186082986.db2.gz ROEBOSCAXRBYLV-LBPRGKRZSA-N 1 0 292.333 2.469 10 0 CEAERO CCOC(=O)CCC[NH2+]C[C@H]1COc2ccccc21 ZINC000092301217 180359717 /nfs/dbraw/zinc/35/97/17/180359717.db2.gz XPIMDAKRESQVBP-LBPRGKRZSA-N 1 0 263.337 2.096 10 0 CEAERO [NH3+][C@H]1C=C[C@H](c2nc(-c3cc(F)cc(F)c3)no2)C1 ZINC000092181591 180338973 /nfs/dbraw/zinc/33/89/73/180338973.db2.gz UDUUSSIYKZSTTJ-CPCISQLKSA-N 1 0 263.247 2.386 10 0 CEAERO [NH3+][C@H]1C=C[C@H](c2nc(C3Cc4ccccc4C3)no2)C1 ZINC000092182142 180339010 /nfs/dbraw/zinc/33/90/10/180339010.db2.gz MUABMLTVMCJWNI-JSGCOSHPSA-N 1 0 267.332 2.323 10 0 CEAERO C[NH2+][C@H](CN1C(=O)C[C@H](C)C1=O)c1c(C)cc(C)cc1C ZINC000105832660 186075684 /nfs/dbraw/zinc/07/56/84/186075684.db2.gz FJTOEBVNQUYULS-UONOGXRCSA-N 1 0 288.391 2.267 10 0 CEAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1cnn(C)c1 ZINC000105896093 186086637 /nfs/dbraw/zinc/08/66/37/186086637.db2.gz TVVHFKIJLBWRTN-CQSZACIVSA-N 1 0 273.384 2.108 10 0 CEAERO Cc1cnn(CC[NH2+]Cc2cccc3[nH]ccc32)c1 ZINC000105908413 186087986 /nfs/dbraw/zinc/08/79/86/186087986.db2.gz WHMZGGUZRXLRQI-UHFFFAOYSA-N 1 0 254.337 2.463 10 0 CEAERO CCc1nc([C@H]2CCCOC2)nc(CC)c1CC[NH2+]C ZINC000092318414 180361575 /nfs/dbraw/zinc/36/15/75/180361575.db2.gz FCWDWQMAQIFYLJ-LBPRGKRZSA-N 1 0 277.412 2.257 10 0 CEAERO CCC[NH2+]C[C@@H](C)c1c(C)nn(-c2ncccn2)c1C ZINC000092321478 180362239 /nfs/dbraw/zinc/36/22/39/180362239.db2.gz LDODUZXARVUZLA-LLVKDONJSA-N 1 0 273.384 2.382 10 0 CEAERO Cc1nn(-c2cc(C)ccn2)c(C)c1CC[NH2+]C1CC1 ZINC000092322689 180362400 /nfs/dbraw/zinc/36/24/00/180362400.db2.gz OXPOTUJMZTUFBS-UHFFFAOYSA-N 1 0 270.380 2.487 10 0 CEAERO CO[C@H]1CCCC[C@H]1[NH2+]Cc1c(C)nn(C)c1C ZINC000092325246 180362728 /nfs/dbraw/zinc/36/27/28/180362728.db2.gz JEHSVQLEEWKFLX-KGLIPLIRSA-N 1 0 251.374 2.084 10 0 CEAERO Cc1noc(C)c1[C@H](C)N[C@H]1CCC[N@H+](C)CC1 ZINC000092328424 180362817 /nfs/dbraw/zinc/36/28/17/180362817.db2.gz LCEBSIPDPWGTGY-GWCFXTLKSA-N 1 0 251.374 2.426 10 0 CEAERO C[C@@H](O)C[N@@H+]1CCN(Cc2cccc(Cl)c2)C[C@H]1C ZINC000106097744 186101457 /nfs/dbraw/zinc/10/14/57/186101457.db2.gz PMDQUUYDHKKATJ-CHWSQXEVSA-N 1 0 282.815 2.227 10 0 CEAERO CC[NH2+][C@H]1CCN(Cc2c(C)noc2C)C[C@@H]1C ZINC000092339778 180365110 /nfs/dbraw/zinc/36/51/10/180365110.db2.gz POTBQHCBUQUZNC-HZMBPMFUSA-N 1 0 251.374 2.111 10 0 CEAERO Cc1noc(C)c1[C@H](C)N1CCC[NH2+]C(C)(C)C1 ZINC000092342442 180365543 /nfs/dbraw/zinc/36/55/43/180365543.db2.gz MSGJQDFGLBUOLA-NSHDSACASA-N 1 0 251.374 2.426 10 0 CEAERO Cc1noc(C)c1CN1CC[NH2+][C@H](CC(C)C)C1 ZINC000092342602 180365672 /nfs/dbraw/zinc/36/56/72/180365672.db2.gz ACAPTMNPBZMLBU-CYBMUJFWSA-N 1 0 251.374 2.111 10 0 CEAERO CC[C@@]1(C)CSC(NCc2c(C)nn(C)c2C)=[NH+]1 ZINC000092341174 180365708 /nfs/dbraw/zinc/36/57/08/180365708.db2.gz REOOUIGMHKJPNU-ZDUSSCGKSA-N 1 0 266.414 2.398 10 0 CEAERO C[NH2+][C@@H]1c2cc(OC)ccc2CC[C@H]1S(=O)(=O)C(C)C ZINC000092388706 180374891 /nfs/dbraw/zinc/37/48/91/180374891.db2.gz XEEXHRGGUTZNMI-HUUCEWRRSA-N 1 0 297.420 2.094 10 0 CEAERO CC(C)[C@@H](CO)[NH2+]C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000092400473 180377535 /nfs/dbraw/zinc/37/75/35/180377535.db2.gz GTMHJUDCORTRBU-QWHCGFSZSA-N 1 0 269.772 2.250 10 0 CEAERO Cc1cccc(CN2C[C@H](C)[NH2+]CC23CCCC3)n1 ZINC000092433179 180384120 /nfs/dbraw/zinc/38/41/20/180384120.db2.gz VNLXASMZTTVBEZ-AWEZNQCLSA-N 1 0 259.397 2.497 10 0 CEAERO CCC[C@H](CC)[NH2+][C@H]1CC(=O)N(C(CC)CC)C1=O ZINC000106534163 186124959 /nfs/dbraw/zinc/12/49/59/186124959.db2.gz YNBIVCZPCPGAPP-AAEUAGOBSA-N 1 0 268.401 2.471 10 0 CEAERO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1cc(Cl)ccn1 ZINC000092417198 180381128 /nfs/dbraw/zinc/38/11/28/180381128.db2.gz GWLMDVFULGOTQW-MFKMUULPSA-N 1 0 253.777 2.437 10 0 CEAERO CN(Cc1cc(Cl)ccn1)C[C@@H]1CC[N@H+](C)C1 ZINC000092416755 180381293 /nfs/dbraw/zinc/38/12/93/180381293.db2.gz NZVIQLDURBSSSR-LLVKDONJSA-N 1 0 253.777 2.119 10 0 CEAERO C[C@@H]([NH3+])[C@H]1CCCCN1Cc1cc(Cl)ccn1 ZINC000092417204 180381383 /nfs/dbraw/zinc/38/13/83/180381383.db2.gz GWLMDVFULGOTQW-ZWNOBZJWSA-N 1 0 253.777 2.437 10 0 CEAERO COc1ccc2c(c1)[C@@H]([NH2+]CC1CC(O)C1)CCC2 ZINC000092384434 180373564 /nfs/dbraw/zinc/37/35/64/180373564.db2.gz IRYPJIWLJNYWPG-TZDAIYRESA-N 1 0 261.365 2.433 10 0 CEAERO COc1ccc2c(c1)[C@@H](N)[C@H]([NH+]1CCCCC1)CC2 ZINC000092385227 180373782 /nfs/dbraw/zinc/37/37/82/180373782.db2.gz VKDIWLCSYLYWPX-HZPDHXFCSA-N 1 0 260.381 2.496 10 0 CEAERO CCCOCCO[C@@H]1CCc2ccc(OC)cc2[C@H]1[NH3+] ZINC000092386825 180374040 /nfs/dbraw/zinc/37/40/40/180374040.db2.gz SEGWJKLDCYGKRA-HZPDHXFCSA-N 1 0 279.380 2.453 10 0 CEAERO Cc1ccc(Cn2cc(C(C)(C)[NH3+])nn2)c(Cl)c1 ZINC000235874159 539799592 /nfs/dbraw/zinc/79/95/92/539799592.db2.gz IZTMDFQTFQBMRV-UHFFFAOYSA-N 1 0 264.760 2.482 10 0 CEAERO C[NH2+]CCC(=O)Nc1ccc(C(C)C)cc1OC ZINC000107294656 186168029 /nfs/dbraw/zinc/16/80/29/186168029.db2.gz WWKVEIJNMDPXTK-UHFFFAOYSA-N 1 0 250.342 2.367 10 0 CEAERO COc1cc(C(N)=[NH2+])ccc1OCc1cccc(C)n1 ZINC000092429781 180384369 /nfs/dbraw/zinc/38/43/69/180384369.db2.gz CCNKTTPGFXVFKA-UHFFFAOYSA-N 1 0 271.320 2.262 10 0 CEAERO COc1ccc(-c2[nH+]c3n(c2N)CCCC3)cc1OC ZINC000107841979 186195536 /nfs/dbraw/zinc/19/55/36/186195536.db2.gz VDJFCJRUZQBWBP-UHFFFAOYSA-N 1 0 273.336 2.486 10 0 CEAERO COc1c(C)cnc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)C3)c1C ZINC000107925511 186198157 /nfs/dbraw/zinc/19/81/57/186198157.db2.gz YRHRGHKVNSAICG-PBWFPOADSA-N 1 0 276.380 2.195 10 0 CEAERO Cc1cccc(O)c1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000625606844 350535047 /nfs/dbraw/zinc/53/50/47/350535047.db2.gz RMMCCIWCEBHTRH-OLZOCXBDSA-N 1 0 274.364 2.009 10 0 CEAERO Cc1ccc(SCC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107573172 186179519 /nfs/dbraw/zinc/17/95/19/186179519.db2.gz CRXUTWMROXGYSX-OKILXGFUSA-N 1 0 262.422 2.238 10 0 CEAERO CCCC[C@H](C[NH3+])Nc1ccc(C(=O)OCC)cn1 ZINC000130572777 365969148 /nfs/dbraw/zinc/96/91/48/365969148.db2.gz ZMAPAJDLSGHUFX-GFCCVEGCSA-N 1 0 265.357 2.188 10 0 CEAERO CCC[NH+]1CCC(n2c(N)nc3cccnc32)CC1 ZINC000092532924 180401218 /nfs/dbraw/zinc/40/12/18/180401218.db2.gz GRZWQYFILFDBJO-UHFFFAOYSA-N 1 0 259.357 2.060 10 0 CEAERO CNC(=O)C1CC[NH+](C[C@H]2Cc3ccccc3S2)CC1 ZINC000092661496 180425423 /nfs/dbraw/zinc/42/54/23/180425423.db2.gz AONLUZCVTXDQGU-CQSZACIVSA-N 1 0 290.432 2.161 10 0 CEAERO C[C@H]([NH2+]CCc1cscn1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000108941815 186236849 /nfs/dbraw/zinc/23/68/49/186236849.db2.gz DWPRSRVHSCWRKK-VIFPVBQESA-N 1 0 288.376 2.206 10 0 CEAERO CC(C)[C@@H]([NH3+])Cc1nc(Cc2ccc(F)cc2)no1 ZINC000109501370 186257252 /nfs/dbraw/zinc/25/72/52/186257252.db2.gz GHVCQGIEUNRESO-LBPRGKRZSA-N 1 0 263.316 2.325 10 0 CEAERO CC[NH2+][C@@H](C)[C@H](CC)c1nc(-c2cnccn2)no1 ZINC000109507113 186257607 /nfs/dbraw/zinc/25/76/07/186257607.db2.gz ONQCSBRDJKYZPX-UWVGGRQHSA-N 1 0 261.329 2.018 10 0 CEAERO CC[C@@H]([NH3+])Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000109506567 186257657 /nfs/dbraw/zinc/25/76/57/186257657.db2.gz NYZCASPDESPNFW-MRVPVSSYSA-N 1 0 253.252 2.295 10 0 CEAERO CC[C@@H](c1nc(Cc2nc(C)cs2)no1)[C@H](C)[NH3+] ZINC000109510924 186258105 /nfs/dbraw/zinc/25/81/05/186258105.db2.gz TTZUWIMSICYXKR-DTWKUNHWSA-N 1 0 266.370 2.266 10 0 CEAERO CCC[NH2+][C@@H](Cc1nc(CC(F)(F)F)no1)C1CC1 ZINC000109517458 186259184 /nfs/dbraw/zinc/25/91/84/186259184.db2.gz KMXJDXQSZWXZGR-VIFPVBQESA-N 1 0 277.290 2.495 10 0 CEAERO CC[NH2+][C@H](C)[C@@H](C)c1nc(CC(F)(F)F)no1 ZINC000109517399 186259269 /nfs/dbraw/zinc/25/92/69/186259269.db2.gz CEWQPQUQYNPZAU-RNFRBKRXSA-N 1 0 251.252 2.276 10 0 CEAERO COc1ccc(Cc2noc(C[C@H]([NH3+])C(C)C)n2)cc1 ZINC000109520760 186259424 /nfs/dbraw/zinc/25/94/24/186259424.db2.gz JEUGIRVONGEWBD-ZDUSSCGKSA-N 1 0 275.352 2.195 10 0 CEAERO CC[NH2+][C@@H](Cc1nc(CC(F)(F)F)no1)C1CC1 ZINC000109517452 186259441 /nfs/dbraw/zinc/25/94/41/186259441.db2.gz JGAPKMZZBKRSLF-QMMMGPOBSA-N 1 0 263.263 2.105 10 0 CEAERO C[NH2+][C@@H]1c2ccc(Oc3ccc(C)nc3)cc2NC1=O ZINC000109576650 186263435 /nfs/dbraw/zinc/26/34/35/186263435.db2.gz NRZXINCXIJPFKW-CQSZACIVSA-N 1 0 269.304 2.395 10 0 CEAERO CC[NH2+][C@H]1c2ccc(-n3nc(C)c(C)c3C)cc2NC1=O ZINC000109572976 186263667 /nfs/dbraw/zinc/26/36/67/186263667.db2.gz LURYIAZGRJLOLE-HNNXBMFYSA-N 1 0 284.363 2.400 10 0 CEAERO CCC[NH2+][C@@H]1c2ccc(OCCOCC)cc2NC1=O ZINC000109573599 186263879 /nfs/dbraw/zinc/26/38/79/186263879.db2.gz XTRBMZCBDDAMAS-CQSZACIVSA-N 1 0 278.352 2.095 10 0 CEAERO C[NH2+][C@H]1C(=O)Nc2cc(-n3nc(C)c(Cl)c3C)ccc21 ZINC000109573125 186264040 /nfs/dbraw/zinc/26/40/40/186264040.db2.gz RQJXSTOLQVBHOO-CYBMUJFWSA-N 1 0 290.754 2.355 10 0 CEAERO [NH3+]Cc1cc(OC[C@H]2CCCO2)c2ccccc2n1 ZINC000109590215 186264946 /nfs/dbraw/zinc/26/49/46/186264946.db2.gz OTPBIIQORDGNTP-GFCCVEGCSA-N 1 0 258.321 2.251 10 0 CEAERO Cc1nnc(Sc2ccc(C[NH3+])cc2Cl)n1C ZINC000109686469 186269151 /nfs/dbraw/zinc/26/91/51/186269151.db2.gz BSLKWBKYCQIEJP-UHFFFAOYSA-N 1 0 268.773 2.387 10 0 CEAERO CCc1cc(N2CC[C@H]([NH+](C)C)C2)nc(-c2ccccn2)n1 ZINC000109319582 186248496 /nfs/dbraw/zinc/24/84/96/186248496.db2.gz PEMTVERDFLYGAI-AWEZNQCLSA-N 1 0 297.406 2.241 10 0 CEAERO Cn1cnnc1CC[NH2+][C@H]1CCSc2ccccc21 ZINC000109421063 186251490 /nfs/dbraw/zinc/25/14/90/186251490.db2.gz QCSMXRABPTZCRW-LBPRGKRZSA-N 1 0 274.393 2.184 10 0 CEAERO CC[C@@H]([NH2+]CCc1nncn1C)c1ccc2c(c1)CCO2 ZINC000109422565 186251545 /nfs/dbraw/zinc/25/15/45/186251545.db2.gz PRXDRXPNIBMAID-CQSZACIVSA-N 1 0 286.379 2.033 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)NCCCc2cccc(F)c2)C1 ZINC000109402767 186251862 /nfs/dbraw/zinc/25/18/62/186251862.db2.gz XAYQWGXOEOVCIE-HNNXBMFYSA-N 1 0 293.386 2.104 10 0 CEAERO Cn1cnnc1CCNc1cc[nH+]c2ccccc12 ZINC000109424236 186252056 /nfs/dbraw/zinc/25/20/56/186252056.db2.gz LAIOIZZHGSVOID-UHFFFAOYSA-N 1 0 253.309 2.018 10 0 CEAERO Cc1ccc(C)c(CN2CC[NH+]([C@@H](C)C(N)=S)CC2)c1 ZINC000109467954 186253618 /nfs/dbraw/zinc/25/36/18/186253618.db2.gz RGLZHZUFKDSNTG-AWEZNQCLSA-N 1 0 291.464 2.096 10 0 CEAERO CC[C@H](C(N)=S)[NH+]1CCN(C2CCCCC2)CC1 ZINC000109469671 186254330 /nfs/dbraw/zinc/25/43/30/186254330.db2.gz GPDPZTXJOJZHGZ-CYBMUJFWSA-N 1 0 269.458 2.001 10 0 CEAERO CC[NH+](CC)CCc1noc([C@H](C(C)=O)C(C)C)n1 ZINC000109477898 186254705 /nfs/dbraw/zinc/25/47/05/186254705.db2.gz WYFWHYSSBULTMS-ZDUSSCGKSA-N 1 0 267.373 2.283 10 0 CEAERO CCC[C@H](C)CN1CC[NH+](C(C)(C)C(N)=S)CC1 ZINC000109470820 186255278 /nfs/dbraw/zinc/25/52/78/186255278.db2.gz AYMSYFVXPBHHOR-LBPRGKRZSA-N 1 0 271.474 2.105 10 0 CEAERO CC[C@H](c1noc(C2CCCC2)n1)N1CC[NH2+]CC1 ZINC000109474518 186255324 /nfs/dbraw/zinc/25/53/24/186255324.db2.gz DUZJJCPNVDPOSN-GFCCVEGCSA-N 1 0 264.373 2.084 10 0 CEAERO CCOC(=O)[C@@H](C)n1nc(C)c(C[NH2+]C(C)C)c1C ZINC000110118796 186285432 /nfs/dbraw/zinc/28/54/32/186285432.db2.gz MDLZAEBAJOGIEY-GFCCVEGCSA-N 1 0 267.373 2.122 10 0 CEAERO Cc1nnc(SCC[NH2+]CCCC(C)C)n1C ZINC000110250285 186288510 /nfs/dbraw/zinc/28/85/10/186288510.db2.gz NYUGWMSPZXIPAP-UHFFFAOYSA-N 1 0 256.419 2.241 10 0 CEAERO CC(C)[NH2+]CCCn1cc(C(F)(F)F)ccc1=O ZINC000110443138 186296293 /nfs/dbraw/zinc/29/62/93/186296293.db2.gz IANHVPCFIREGFS-UHFFFAOYSA-N 1 0 262.275 2.255 10 0 CEAERO Cc1ccc(NC(=O)CN2[C@H](C)CCC[C@@H]2C[NH3+])cc1 ZINC000110480822 186299137 /nfs/dbraw/zinc/29/91/37/186299137.db2.gz RBQZDHJYYRIMLR-UKRRQHHQSA-N 1 0 275.396 2.135 10 0 CEAERO [NH3+]Cc1ccc(O[C@@H]2CCOC2)cc1C(F)(F)F ZINC000110524717 186300991 /nfs/dbraw/zinc/30/09/91/186300991.db2.gz LLVFBHVTFMEKIG-SNVBAGLBSA-N 1 0 261.243 2.332 10 0 CEAERO CC[NH2+]Cc1nc(O[C@@H]2CCOC2)ccc1Cl ZINC000110532666 186302105 /nfs/dbraw/zinc/30/21/05/186302105.db2.gz MSLRCDCMCVZTJU-SECBINFHSA-N 1 0 256.733 2.012 10 0 CEAERO Clc1cc(C[NH2+]C2CC2)cnc1O[C@H]1CCOC1 ZINC000110532693 186302118 /nfs/dbraw/zinc/30/21/18/186302118.db2.gz XKLOKRCYEMZCFT-NSHDSACASA-N 1 0 268.744 2.155 10 0 CEAERO CCOc1ccc([C@@]2(O)CCC[NH2+]C2)cc1OCC ZINC000110551251 186303751 /nfs/dbraw/zinc/30/37/51/186303751.db2.gz BZIBBOANBNSIHM-OAHLLOKOSA-N 1 0 265.353 2.055 10 0 CEAERO C[C@H]1CN(C(=O)CC2CCC(C[NH3+])CC2)CC(C)(C)O1 ZINC000110618097 186305422 /nfs/dbraw/zinc/30/54/22/186305422.db2.gz GLPDKVOEHVFYAY-HSBZDZAISA-N 1 0 282.428 2.168 10 0 CEAERO COc1cc2c(cc1F)[nH+]c(N)n2[C@@H](C)Cn1cccn1 ZINC000110629715 186307486 /nfs/dbraw/zinc/30/74/86/186307486.db2.gz VSAJATGIEXAFFF-VIFPVBQESA-N 1 0 289.314 2.224 10 0 CEAERO COc1cc2c(cc1F)[nH+]c(N)n2C[C@@H]1CCCCO1 ZINC000110629898 186308023 /nfs/dbraw/zinc/30/80/23/186308023.db2.gz VLOGOJABENWJAD-VIFPVBQESA-N 1 0 279.315 2.335 10 0 CEAERO CCCn1cc(Cl)cc1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000110794926 186325067 /nfs/dbraw/zinc/32/50/67/186325067.db2.gz SCSJCWHLCIMELQ-LLVKDONJSA-N 1 0 283.803 2.281 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1cnccn1)c1ccccn1 ZINC000110913075 186332890 /nfs/dbraw/zinc/33/28/90/186332890.db2.gz LKGZQCMMLRFRRP-GWCFXTLKSA-N 1 0 260.366 2.442 10 0 CEAERO CN(C(=O)c1cccc2ncccc21)[C@H]1CCC[NH2+]C1 ZINC000110927240 186333562 /nfs/dbraw/zinc/33/35/62/186333562.db2.gz LVMAMHQJVXYKML-LBPRGKRZSA-N 1 0 269.348 2.059 10 0 CEAERO CN(C(=O)CCc1c[nH]c2ccccc12)[C@@H]1CCC[NH2+]C1 ZINC000110926911 186333808 /nfs/dbraw/zinc/33/38/08/186333808.db2.gz HXOJVLDXJYFKHG-CQSZACIVSA-N 1 0 285.391 2.311 10 0 CEAERO Cc1cccc(-c2nc(CN(C)[C@@H]3CCC[NH2+]C3)no2)c1 ZINC000110929234 186333935 /nfs/dbraw/zinc/33/39/35/186333935.db2.gz PQSYECQAJZPJQA-CQSZACIVSA-N 1 0 286.379 2.229 10 0 CEAERO CN(CCOc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC000110931284 186333983 /nfs/dbraw/zinc/33/39/83/186333983.db2.gz KXUPBXDSAVPOGY-CYBMUJFWSA-N 1 0 268.788 2.403 10 0 CEAERO CN(Cc1ccc(OC(F)F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000110926044 186334015 /nfs/dbraw/zinc/33/40/15/186334015.db2.gz CLBVVNDIENEFDB-GFCCVEGCSA-N 1 0 270.323 2.472 10 0 CEAERO CCCCNC(=O)[C@H](C)n1c(CC[NH3+])nc2ccccc21 ZINC000110948977 186335163 /nfs/dbraw/zinc/33/51/63/186335163.db2.gz HVUWRWXWYDQFRW-LBPRGKRZSA-N 1 0 288.395 2.015 10 0 CEAERO C[C@H](C(=O)NC(C)(C)C)n1c(CC[NH3+])nc2ccccc21 ZINC000110948770 186335233 /nfs/dbraw/zinc/33/52/33/186335233.db2.gz MNZYSMNNRLCORI-LLVKDONJSA-N 1 0 288.395 2.013 10 0 CEAERO CCCN(CC(=O)N(C(C)C)C(C)C)[C@H]1CCC[NH2+]C1 ZINC000110946422 186335777 /nfs/dbraw/zinc/33/57/77/186335777.db2.gz KLFKCYMFVQMQKM-HNNXBMFYSA-N 1 0 283.460 2.096 10 0 CEAERO CCN(CCC(=O)Nc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000110943045 186335789 /nfs/dbraw/zinc/33/57/89/186335789.db2.gz HYDSSKMKQVSFLL-OAHLLOKOSA-N 1 0 293.386 2.228 10 0 CEAERO COCCN([C@@H](C[NH3+])c1ccc(C)c(F)c1)C1CC1 ZINC000110977495 186338980 /nfs/dbraw/zinc/33/89/80/186338980.db2.gz FKUXINIJHQKZOP-HNNXBMFYSA-N 1 0 266.360 2.245 10 0 CEAERO COCC[NH2+]C[C@H](C)Oc1ccc(SC)cc1 ZINC000110986195 186339550 /nfs/dbraw/zinc/33/95/50/186339550.db2.gz USDSHHZYDJTRHX-NSHDSACASA-N 1 0 255.383 2.412 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Oc1ccccc1CO)c1cccnc1 ZINC000110993140 186340828 /nfs/dbraw/zinc/34/08/28/186340828.db2.gz ZNGFMJLLVPKDMR-GDBMZVCRSA-N 1 0 272.348 2.431 10 0 CEAERO CC[C@@H]1CN(Cc2cc(N)ccc2Cl)CC[N@@H+]1C ZINC000110703459 186314825 /nfs/dbraw/zinc/31/48/25/186314825.db2.gz BDIBPJOUFAAFOQ-CYBMUJFWSA-N 1 0 267.804 2.448 10 0 CEAERO COc1ccc([C@H](O)[C@H](C)[N@@H+]2CCN(C)C(C)(C)C2)cc1 ZINC000110736518 186318608 /nfs/dbraw/zinc/31/86/08/186318608.db2.gz UYCYOCGRGPJVDP-XJKSGUPXSA-N 1 0 292.423 2.143 10 0 CEAERO CCOc1ccccc1[C@H](O)CN1CC[N@H+](C)C(C)(C)C1 ZINC000110736540 186319588 /nfs/dbraw/zinc/31/95/88/186319588.db2.gz LZFULISVFNIZMW-OAHLLOKOSA-N 1 0 292.423 2.145 10 0 CEAERO CN(C)c1ccc2[nH+]c(-c3cccnc3)c(N)n2c1 ZINC000110782719 186324631 /nfs/dbraw/zinc/32/46/31/186324631.db2.gz WULUSEAFRBXXEE-UHFFFAOYSA-N 1 0 253.309 2.045 10 0 CEAERO CCN(c1ncnc2sc(C)cc21)[C@H]1CC[NH2+]C1 ZINC000110779438 186324654 /nfs/dbraw/zinc/32/46/54/186324654.db2.gz YRBPNVPTNCHTPK-JTQLQIEISA-N 1 0 262.382 2.188 10 0 CEAERO CCOc1cc(NCC[N@H+](C)C(C)C)ccc1N ZINC000111055686 186349207 /nfs/dbraw/zinc/34/92/07/186349207.db2.gz AGPTXWPYLWOJFB-UHFFFAOYSA-N 1 0 251.374 2.420 10 0 CEAERO CCCOc1cc(NC[C@@H](C)[NH+](C)C)ccc1N ZINC000111054690 186349254 /nfs/dbraw/zinc/34/92/54/186349254.db2.gz KNMDGMYKJQJLFO-LLVKDONJSA-N 1 0 251.374 2.420 10 0 CEAERO Cc1ccccc1[C@@H](SCCS(C)(=O)=O)[C@H](C)[NH3+] ZINC000111004191 186341785 /nfs/dbraw/zinc/34/17/85/186341785.db2.gz RADCNPBDYZNHKW-AAEUAGOBSA-N 1 0 287.450 2.161 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(c2ccc(F)cc2C(N)=S)CC1 ZINC000111032606 186346536 /nfs/dbraw/zinc/34/65/36/186346536.db2.gz GDVCJGHUYOVKPE-LLVKDONJSA-N 1 0 295.427 2.380 10 0 CEAERO NC(=S)c1cc(F)ccc1N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000111032842 186347201 /nfs/dbraw/zinc/34/72/01/186347201.db2.gz PXMKYELVCVVABT-GFCCVEGCSA-N 1 0 293.411 2.134 10 0 CEAERO C[N@@H+](Cc1cc(F)ccc1N)C[C@H]1CCCOC1 ZINC000111154897 186360442 /nfs/dbraw/zinc/36/04/42/186360442.db2.gz MTBKTWBEUZKHRE-LLVKDONJSA-N 1 0 252.333 2.266 10 0 CEAERO Cc1cc(C)c(C[NH3+])c(N(C)CC2CCOCC2)n1 ZINC000111153808 186360566 /nfs/dbraw/zinc/36/05/66/186360566.db2.gz DJMQYZKJAPEXOX-UHFFFAOYSA-N 1 0 263.385 2.020 10 0 CEAERO CCCNc1ccc(C(=O)N(C)CC[NH+](C)C)cc1 ZINC000111151562 186360600 /nfs/dbraw/zinc/36/06/00/186360600.db2.gz WJWPNHWCLYYCPX-UHFFFAOYSA-N 1 0 263.385 2.142 10 0 CEAERO CN(CC1CCOCC1)[C@@H](C[NH3+])c1cccc(F)c1F ZINC000111159325 186362547 /nfs/dbraw/zinc/36/25/47/186362547.db2.gz AYZSUPDFAGLOFU-AWEZNQCLSA-N 1 0 284.350 2.323 10 0 CEAERO CCN(c1ccc(C[NH3+])cc1)S(=O)(=O)C(C)(C)C ZINC000111071313 186351176 /nfs/dbraw/zinc/35/11/76/186351176.db2.gz AJMRGUAYWKXZLB-UHFFFAOYSA-N 1 0 270.398 2.100 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1ccncn1)c1ccncc1 ZINC000111113320 186353602 /nfs/dbraw/zinc/35/36/02/186353602.db2.gz XUIBHYDIAWLRLL-DGCLKSJQSA-N 1 0 260.366 2.442 10 0 CEAERO CCCOCCOc1ccc(C(N)=[NH2+])cc1Cl ZINC000111109103 186354156 /nfs/dbraw/zinc/35/41/56/186354156.db2.gz VDQGLYBEMNKKIE-UHFFFAOYSA-N 1 0 256.733 2.429 10 0 CEAERO CCOCCN(CC)c1ccccc1C[NH2+]CCOC ZINC000111120642 186354265 /nfs/dbraw/zinc/35/42/65/186354265.db2.gz ODYHPXDILFJXML-UHFFFAOYSA-N 1 0 280.412 2.285 10 0 CEAERO CCOCCN(CC)[C@H](c1ccsc1)[C@@H](C)[NH3+] ZINC000111116962 186354347 /nfs/dbraw/zinc/35/43/47/186354347.db2.gz REXBJUORJKMSCS-YPMHNXCESA-N 1 0 256.415 2.495 10 0 CEAERO CCOCCN(CC)C[C@@H]([NH2+]C)c1ccccc1OC ZINC000111118128 186355464 /nfs/dbraw/zinc/35/54/64/186355464.db2.gz AKVNKQYAISYJLN-OAHLLOKOSA-N 1 0 280.412 2.314 10 0 CEAERO CCOCCN(CC)[C@H](C[NH3+])CCc1ccccc1 ZINC000111117649 186355740 /nfs/dbraw/zinc/35/57/40/186355740.db2.gz PFDWTTRXXWUOLD-INIZCTEOSA-N 1 0 264.413 2.305 10 0 CEAERO CN(CCC[NH+](C)C)c1c(C(=O)[O-])c[nH+]c2ccccc21 ZINC000111139996 186357102 /nfs/dbraw/zinc/35/71/02/186357102.db2.gz BFYLVRSLFCMAEG-UHFFFAOYSA-N 1 0 287.363 2.321 10 0 CEAERO C[C@H](O)c1cccc(NC(=O)N(C)CCC[NH+](C)C)c1 ZINC000111149584 186358212 /nfs/dbraw/zinc/35/82/12/186358212.db2.gz CTGCRINOXNHEQL-LBPRGKRZSA-N 1 0 279.384 2.155 10 0 CEAERO C[N@H+](CCc1nc2cc(N)ccc2[nH]1)CC1CCOCC1 ZINC000111155380 186360328 /nfs/dbraw/zinc/36/03/28/186360328.db2.gz WLIBTPAFOLHIIC-UHFFFAOYSA-N 1 0 288.395 2.046 10 0 CEAERO CCC[NH2+]Cc1nnc([C@@H]2CCOc3ccccc32)o1 ZINC000111189546 186367630 /nfs/dbraw/zinc/36/76/30/186367630.db2.gz JRTHWSGWDUJMJS-GFCCVEGCSA-N 1 0 273.336 2.484 10 0 CEAERO C[NH2+][C@H]1c2ccccc2OC[C@@H]1N(C)C[C@@H]1CCCOC1 ZINC000111160988 186363583 /nfs/dbraw/zinc/36/35/83/186363583.db2.gz FVKUFFILRBAWSG-QRTARXTBSA-N 1 0 290.407 2.067 10 0 CEAERO C[NH2+]Cc1c(C)cc(C)nc1N(C)C[C@@H]1CCCOC1 ZINC000111173850 186364705 /nfs/dbraw/zinc/36/47/05/186364705.db2.gz OPHBIGBIPFNUTJ-AWEZNQCLSA-N 1 0 277.412 2.281 10 0 CEAERO C[C@H]1CCC(=O)[C@@H](C[N@H+](C)CC2CCOCC2)C1 ZINC000111171289 186365009 /nfs/dbraw/zinc/36/50/09/186365009.db2.gz UCJOPVKJOUCPAQ-GXTWGEPZSA-N 1 0 253.386 2.350 10 0 CEAERO CC(C)(C)OC[C@H](O)CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000069607906 362983733 /nfs/dbraw/zinc/98/37/33/362983733.db2.gz ITFWRGWCCPCKGV-HZPDHXFCSA-N 1 0 298.471 2.113 10 0 CEAERO C[N@H+](C[C@@H]1CCCOC1)C[C@@H]1CCCCCC1=O ZINC000111171153 186365904 /nfs/dbraw/zinc/36/59/04/186365904.db2.gz KVTNKLAFRADVOZ-KBPBESRZSA-N 1 0 253.386 2.494 10 0 CEAERO C[N@H+](C[C@@H]1CCCOC1)C[C@@](C)(N)c1ccccc1 ZINC000111179215 186366565 /nfs/dbraw/zinc/36/65/65/186366565.db2.gz AFCNJOOTTSHSNQ-GOEBONIOSA-N 1 0 262.397 2.219 10 0 CEAERO [NH3+]Cc1ccc(NC(=O)[C@@H]2CCOc3ccccc32)nc1 ZINC000111184228 186366649 /nfs/dbraw/zinc/36/66/49/186366649.db2.gz PJZYRPXLUYOMDQ-CYBMUJFWSA-N 1 0 283.331 2.045 10 0 CEAERO CCC(C)(C)[NH2+]CCSc1nnc(N(C)C)s1 ZINC000111317345 186396052 /nfs/dbraw/zinc/39/60/52/186396052.db2.gz XEGUZQHYMRCDPK-UHFFFAOYSA-N 1 0 274.459 2.474 10 0 CEAERO Cc1ccc(CN(C)[C@H](C[NH3+])[C@@H]2CCCOC2)cc1 ZINC000111320638 186397655 /nfs/dbraw/zinc/39/76/55/186397655.db2.gz VSCGDWMNUBTHMC-HZPDHXFCSA-N 1 0 262.397 2.181 10 0 CEAERO CC(C)C[NH2+]C[C@@]1(CN2CCOC(C)(C)C2)CCCOC1 ZINC000111325780 186398189 /nfs/dbraw/zinc/39/81/89/186398189.db2.gz LFJRSLMDAMYOLT-QGZVFWFLSA-N 1 0 298.471 2.140 10 0 CEAERO CN(C[C@]1(C[NH3+])CCCOC1)c1ccccc1F ZINC000111327321 186399249 /nfs/dbraw/zinc/39/92/49/186399249.db2.gz POXPXASKCJBGRM-CQSZACIVSA-N 1 0 252.333 2.017 10 0 CEAERO CC[C@@H](C)N(CC)C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111243577 186375457 /nfs/dbraw/zinc/37/54/57/186375457.db2.gz BLDWJOQBYUBEJP-KOLCDFICSA-N 1 0 266.307 2.175 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1c1nnc2ccc(C(F)(F)F)cn21 ZINC000111256145 186379987 /nfs/dbraw/zinc/37/99/87/186379987.db2.gz HLWLHASUWKDXRG-CBAPKCEASA-N 1 0 270.258 2.071 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc2c1CCCC2 ZINC000111262949 186380716 /nfs/dbraw/zinc/38/07/16/186380716.db2.gz VGDRVEOSPXPWNR-RISCZKNCSA-N 1 0 258.365 2.359 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(OC(F)F)cc1 ZINC000111263878 186381181 /nfs/dbraw/zinc/38/11/81/186381181.db2.gz LAZYWBAWPMYTMB-KWQFWETISA-N 1 0 270.279 2.082 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1CCSc2ccccc21 ZINC000111264513 186381287 /nfs/dbraw/zinc/38/12/87/186381287.db2.gz OUNMSIJRIQQNDM-WCFLWFBJSA-N 1 0 276.405 2.195 10 0 CEAERO CCN(Cc1ccccc1C)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000111264151 186381728 /nfs/dbraw/zinc/38/17/28/186381728.db2.gz ZYMPCEWZZVAOFX-UKRRQHHQSA-N 1 0 260.381 2.199 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000111265304 186381895 /nfs/dbraw/zinc/38/18/95/186381895.db2.gz GLTCUVROEUOBII-JOYOIKCWSA-N 1 0 285.347 2.499 10 0 CEAERO CCN(Cc1ccc(OC)c(F)c1)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000111268153 186382370 /nfs/dbraw/zinc/38/23/70/186382370.db2.gz ZUQMKZAXCQPZHQ-DGCLKSJQSA-N 1 0 294.370 2.038 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)Cc1cccc(Cl)c1 ZINC000111267987 186382408 /nfs/dbraw/zinc/38/24/08/186382408.db2.gz NENCMRBSRXVKEU-ZWNOBZJWSA-N 1 0 266.772 2.154 10 0 CEAERO C[C@@H](c1ccccc1F)N(C)C(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000111268684 186383602 /nfs/dbraw/zinc/38/36/02/186383602.db2.gz DXFGCLXBKTVVKM-GVXVVHGQSA-N 1 0 264.344 2.201 10 0 CEAERO COc1ccccc1CN(C(=O)[C@@H]1C[NH2+]C[C@@H]1C)C1CC1 ZINC000111269308 186383950 /nfs/dbraw/zinc/38/39/50/186383950.db2.gz XNOFFSYHEWHLGP-SWLSCSKDSA-N 1 0 288.391 2.042 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)N1CCC2(CCCCC2)CC1 ZINC000111272637 186385399 /nfs/dbraw/zinc/38/53/99/186385399.db2.gz ZRPVDRYEWXOARD-UONOGXRCSA-N 1 0 264.413 2.415 10 0 CEAERO Cc1ccc2cccc(NC(=O)[C@H]3C[NH2+]C[C@H]3C)c2n1 ZINC000111272643 186385461 /nfs/dbraw/zinc/38/54/61/186385461.db2.gz BPNPWDJSPSVZHG-MFKMUULPSA-N 1 0 269.348 2.337 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc2ncccc2c1 ZINC000111272490 186385469 /nfs/dbraw/zinc/38/54/69/186385469.db2.gz LUKGIGLWAQVOOI-ZWNOBZJWSA-N 1 0 255.321 2.029 10 0 CEAERO C[C@@H](CCc1ccccc1)NC(=O)c1ccc(C[NH3+])cn1 ZINC000111282089 186388779 /nfs/dbraw/zinc/38/87/79/186388779.db2.gz MFKYABDFOCQJJL-ZDUSSCGKSA-N 1 0 283.375 2.291 10 0 CEAERO CC(C)CN(CCC[NH3+])C(=O)c1ccc2c(c1)COC2 ZINC000111304910 186393403 /nfs/dbraw/zinc/39/34/03/186393403.db2.gz XTPWIQBGVTZFLQ-UHFFFAOYSA-N 1 0 276.380 2.164 10 0 CEAERO C[C@@H]1CN(c2c(F)cc(CC[NH3+])cc2F)C[C@H](C)O1 ZINC000111477812 186421844 /nfs/dbraw/zinc/42/18/44/186421844.db2.gz LWFKRAFICWQCIM-AOOOYVTPSA-N 1 0 270.323 2.080 10 0 CEAERO COCCN(CC(C)C)c1ccc(F)cc1CC[NH3+] ZINC000111483595 186423169 /nfs/dbraw/zinc/42/31/69/186423169.db2.gz ZDZIWRAZOZBCBI-UHFFFAOYSA-N 1 0 268.376 2.436 10 0 CEAERO COCCN(c1ccc(C[C@H](C)[NH3+])c(C)c1)[C@@H](C)COC ZINC000111509538 186424603 /nfs/dbraw/zinc/42/46/03/186424603.db2.gz AWNNIXUQFVBREP-GJZGRUSLSA-N 1 0 294.439 2.372 10 0 CEAERO Cc1nnc(Sc2c(F)cc(C[C@@H](C)[NH3+])cc2F)n1C ZINC000111587580 186429420 /nfs/dbraw/zinc/42/94/20/186429420.db2.gz OCDZFHUFZJXMOH-SSDOTTSWSA-N 1 0 298.362 2.443 10 0 CEAERO CN1CCCC[C@H]1C[NH2+]CCOC1CCCCC1 ZINC000111636357 186435611 /nfs/dbraw/zinc/43/56/11/186435611.db2.gz DFLCGJZZMSTSPG-AWEZNQCLSA-N 1 0 254.418 2.410 10 0 CEAERO CCC[C@]1(C(=O)N(C)Cc2scnc2C)CC[NH2+]C1 ZINC000111668736 186439506 /nfs/dbraw/zinc/43/95/06/186439506.db2.gz DHKNRZGXDYGJAP-AWEZNQCLSA-N 1 0 281.425 2.190 10 0 CEAERO CC[NH2+]C[C@@H]1CCCCN1CC(=O)NC1CCCCCC1 ZINC000111701327 186446406 /nfs/dbraw/zinc/44/64/06/186446406.db2.gz KTQZLYHUJITRNI-INIZCTEOSA-N 1 0 295.471 2.289 10 0 CEAERO C[C@H](C(=O)NC1CCCC1)N1CCCC[C@@H]1C[NH2+]C1CC1 ZINC000111703028 186447410 /nfs/dbraw/zinc/44/74/10/186447410.db2.gz VCSANNPRPCCKTB-CZUORRHYSA-N 1 0 293.455 2.040 10 0 CEAERO CCC[NH2+][C@@H](C)[C@@H]1CCCCN1CC(=O)N(CC)C1CC1 ZINC000111712175 186448790 /nfs/dbraw/zinc/44/87/90/186448790.db2.gz LNBTWIUQXDNUHJ-HOCLYGCPSA-N 1 0 295.471 2.240 10 0 CEAERO CC[NH2+][C@@H](C)[C@@H]1CCCCN1[C@@H](C)C(=O)NC1CCCC1 ZINC000111711289 186449040 /nfs/dbraw/zinc/44/90/40/186449040.db2.gz LLJINRFMIFJYFI-DZKIICNBSA-N 1 0 295.471 2.286 10 0 CEAERO C[NH2+][C@@H](C)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000111714459 186450017 /nfs/dbraw/zinc/45/00/17/186450017.db2.gz NAKUUAPOMCKNAN-ZDUSSCGKSA-N 1 0 296.436 2.004 10 0 CEAERO CC(C)C[C@H](C[NH3+])Nc1ccc(C(N)=O)cc1Cl ZINC000111830642 186461253 /nfs/dbraw/zinc/46/12/53/186461253.db2.gz OEZGXQKPLCKTDZ-SNVBAGLBSA-N 1 0 269.776 2.224 10 0 CEAERO [NH3+][C@H]1Cc2ccccc2[C@H]1NC(=O)c1cc(F)ccc1F ZINC000111367724 186408092 /nfs/dbraw/zinc/40/80/92/186408092.db2.gz KSKUGMUJNLWKKP-LSDHHAIUSA-N 1 0 288.297 2.319 10 0 CEAERO NC(=[NH2+])c1ccc(N2[C@@H]3CC[C@H]2CC(O)C3)cc1Cl ZINC000111388215 186411824 /nfs/dbraw/zinc/41/18/24/186411824.db2.gz NZJVSCQFPDKYQY-SLHIUPAKSA-N 1 0 279.771 2.116 10 0 CEAERO CC[NH2+][C@@H](Cn1cnccc1=O)c1cc(C)ccc1C ZINC000111401451 186413634 /nfs/dbraw/zinc/41/36/34/186413634.db2.gz YDAOQGFNWMEFSO-HNNXBMFYSA-N 1 0 271.364 2.211 10 0 CEAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc2ccccc21 ZINC000628467101 351107403 /nfs/dbraw/zinc/10/74/03/351107403.db2.gz OIKXYBSPRQPISR-JKSUJKDBSA-N 1 0 257.333 2.079 10 0 CEAERO CCC[N@H+](C[C@H](O)COCc1ccccc1)C1CC1 ZINC000070069878 363025466 /nfs/dbraw/zinc/02/54/66/363025466.db2.gz JLMOEWRUCJUHQX-INIZCTEOSA-N 1 0 263.381 2.439 10 0 CEAERO O[C@@H](C[NH2+]C[C@H]1CCCC12CC2)COCc1ccco1 ZINC000629620057 351433919 /nfs/dbraw/zinc/43/39/19/351433919.db2.gz ZMDWQFQUYJOKDZ-KGLIPLIRSA-N 1 0 279.380 2.327 10 0 CEAERO C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1)N1CCOCC1 ZINC000119576814 186837732 /nfs/dbraw/zinc/83/77/32/186837732.db2.gz GVJFIAYWGWYORG-OLZOCXBDSA-N 1 0 266.360 2.197 10 0 CEAERO Cc1ccccc1-c1cc2c(N3CC[C@H]([NH3+])C3)nccn2n1 ZINC000070459340 363086919 /nfs/dbraw/zinc/08/69/19/363086919.db2.gz NQWSOKUBOZTESV-ZDUSSCGKSA-N 1 0 293.374 2.242 10 0 CEAERO Cc1nc(NCC2CC[NH2+]CC2)cc(-c2cccnc2)n1 ZINC000070456075 363084638 /nfs/dbraw/zinc/08/46/38/363084638.db2.gz LGZGXKMPZKQIBQ-UHFFFAOYSA-N 1 0 283.379 2.259 10 0 CEAERO CO[C@H]1CN(Cc2cc(C)ccc2C)[C@@](C)(C[NH3+])C1 ZINC000630358533 351711175 /nfs/dbraw/zinc/71/11/75/351711175.db2.gz BMYGDTDQNBNWER-HZPDHXFCSA-N 1 0 262.397 2.242 10 0 CEAERO CO[C@@H]1CN(C(=O)c2ccc(C)c(Cl)c2)[C@](C)(C[NH3+])C1 ZINC000630366462 351714161 /nfs/dbraw/zinc/71/41/61/351714161.db2.gz KSAXKKICEATILI-WFASDCNBSA-N 1 0 296.798 2.227 10 0 CEAERO C[C@@H]1CC[C@@H](Nc2ccc(OC(F)F)cn2)C[NH2+]1 ZINC000630534190 351775207 /nfs/dbraw/zinc/77/52/07/351775207.db2.gz ULZYUBZJGHCRGJ-RKDXNWHRSA-N 1 0 257.284 2.235 10 0 CEAERO [NH3+][C@@H]1CCCCCN(c2ccnc3cccnc32)C1 ZINC000630549238 351780483 /nfs/dbraw/zinc/78/04/83/351780483.db2.gz MKWYHZAGVPBFKR-GFCCVEGCSA-N 1 0 256.353 2.338 10 0 CEAERO [NH3+][C@@H]1CCCCCN(c2nccc(C(F)(F)F)n2)C1 ZINC000630550020 351781496 /nfs/dbraw/zinc/78/14/96/351781496.db2.gz NMAVDYJLWJYKLN-SECBINFHSA-N 1 0 274.290 2.203 10 0 CEAERO [NH3+]C[C@@H]1CN(c2ccc(F)cn2)CC[C@@H]1C(F)(F)F ZINC000630527068 351773179 /nfs/dbraw/zinc/77/31/79/351773179.db2.gz GVOMVAOHAAMVQI-SCZZXKLOSA-N 1 0 277.265 2.184 10 0 CEAERO C[C@@]1(c2ccc(Br)s2)C[C@@]1(C[NH3+])CO ZINC000070500996 363093067 /nfs/dbraw/zinc/09/30/67/363093067.db2.gz UWSRPRHRBDBAOL-VHSXEESVSA-N 1 0 276.199 2.109 10 0 CEAERO CCC[C@H](C(=O)Nc1ncc(CC)s1)[NH+](C)C ZINC000121928856 187006021 /nfs/dbraw/zinc/00/60/21/187006021.db2.gz UBKXCHXUXBAFLY-SNVBAGLBSA-N 1 0 255.387 2.374 10 0 CEAERO C[NH+](C)[C@H]1CCN(c2cc(Cl)nc(C3CC3)n2)C1 ZINC000122434051 187032541 /nfs/dbraw/zinc/03/25/41/187032541.db2.gz KIXDTSBOVCTBEH-JTQLQIEISA-N 1 0 266.776 2.148 10 0 CEAERO [NH3+][C@H]1CCC[C@H](c2nc(Cc3cccnc3)no2)C1 ZINC000070557726 363095122 /nfs/dbraw/zinc/09/51/22/363095122.db2.gz XYYPSFMCIXXFMU-RYUDHWBXSA-N 1 0 258.325 2.040 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1ccnn1C ZINC000122795899 187052362 /nfs/dbraw/zinc/05/23/62/187052362.db2.gz HYXLCVJSWLGFNK-AWEZNQCLSA-N 1 0 273.384 2.108 10 0 CEAERO C[C@H]1CCC[C@@H](CCNC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000070547770 363095512 /nfs/dbraw/zinc/09/55/12/363095512.db2.gz JTQLWYJQXJOYIT-KBPBESRZSA-N 1 0 282.428 2.075 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]CCn2cc(C)cn2)c1C ZINC000124079930 187121913 /nfs/dbraw/zinc/12/19/13/187121913.db2.gz YGKBDNLRLAZQNR-GFCCVEGCSA-N 1 0 275.400 2.376 10 0 CEAERO COc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CCOCC2)cc1F ZINC000123306130 187083864 /nfs/dbraw/zinc/08/38/64/187083864.db2.gz WCDOTLFSJBAHTJ-OLZOCXBDSA-N 1 0 296.386 2.206 10 0 CEAERO [NH3+]C[C@@H]1CCCN1Cc1cc(-c2cccs2)on1 ZINC000123386559 187088709 /nfs/dbraw/zinc/08/87/09/187088709.db2.gz SQJWFPDUAGNXFS-NSHDSACASA-N 1 0 263.366 2.326 10 0 CEAERO CC[C@@](C)(O)C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000123434251 187091504 /nfs/dbraw/zinc/09/15/04/187091504.db2.gz NYCGMWZNLRSDGF-MRXNPFEDSA-N 1 0 262.397 2.360 10 0 CEAERO CCOC(=O)c1ccc(CN(C)C[C@@H]2CCC[N@@H+]2CC)o1 ZINC000123445628 187092267 /nfs/dbraw/zinc/09/22/67/187092267.db2.gz JGMNSZHVONDHAS-ZDUSSCGKSA-N 1 0 294.395 2.372 10 0 CEAERO CCc1nccn1[C@H]1CCC[N@H+](C[C@](C)(O)CC)C1 ZINC000123568864 187099175 /nfs/dbraw/zinc/09/91/75/187099175.db2.gz ONXNSFXNJVEDGE-DZGCQCFKSA-N 1 0 265.401 2.243 10 0 CEAERO CC[C@@H](O)CN1CC[NH+](CC2CCC(C)CC2)CC1 ZINC000123623199 187100906 /nfs/dbraw/zinc/10/09/06/187100906.db2.gz BGFWWKIWLYXPJN-UYSNPLJNSA-N 1 0 268.445 2.201 10 0 CEAERO O=C(CC[NH2+][C@@H]1CCc2c1cccc2O)N1CCCCC1 ZINC000123763448 187108095 /nfs/dbraw/zinc/10/80/95/187108095.db2.gz KXNYLSQCHJHGCD-OAHLLOKOSA-N 1 0 288.391 2.372 10 0 CEAERO CC(=O)c1ccc(NC(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)cc1 ZINC000123934952 187115471 /nfs/dbraw/zinc/11/54/71/187115471.db2.gz PFZJBHZBXDEONU-ABAIWWIYSA-N 1 0 289.379 2.303 10 0 CEAERO CCc1cc(N(C)C[C@@H](O)COC)c2ccccc2[nH+]1 ZINC000123978846 187116760 /nfs/dbraw/zinc/11/67/60/187116760.db2.gz NOKDUQPLUWMLIC-CYBMUJFWSA-N 1 0 274.364 2.241 10 0 CEAERO Cc1occc1CN(C)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000070577793 363098199 /nfs/dbraw/zinc/09/81/99/363098199.db2.gz BZISKHSAKKYIHT-DGCLKSJQSA-N 1 0 250.342 2.064 10 0 CEAERO C[NH2+]Cc1nc(-c2ccc(Br)s2)no1 ZINC000070652517 363101901 /nfs/dbraw/zinc/10/19/01/363101901.db2.gz KXRNZJGKFRANSM-UHFFFAOYSA-N 1 0 274.143 2.280 10 0 CEAERO C[C@H](NC(=O)[C@H]1CC[NH2+][C@H]1C)c1cc(F)ccc1F ZINC000092951666 539831576 /nfs/dbraw/zinc/83/15/76/539831576.db2.gz AMHZXHCTTBEKBD-QXEWZRGKSA-N 1 0 268.307 2.140 10 0 CEAERO Brc1ccc2c(ccnc2N2CC[NH2+]CC2)c1 ZINC000071482690 363110290 /nfs/dbraw/zinc/11/02/90/363110290.db2.gz ZZHHGFKIIDZEPW-UHFFFAOYSA-N 1 0 292.180 2.407 10 0 CEAERO [NH3+][C@@H](CO)c1ccc(Cl)cc1Br ZINC000072199133 363121053 /nfs/dbraw/zinc/12/10/53/363121053.db2.gz ZWMGYWXYDLGLCS-QMMMGPOBSA-N 1 0 250.523 2.095 10 0 CEAERO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(Nc2cccc(F)n2)CC1 ZINC000132849565 187650181 /nfs/dbraw/zinc/65/01/81/187650181.db2.gz CULMIODVDADABA-UONOGXRCSA-N 1 0 293.386 2.401 10 0 CEAERO C[C@H](NC(=O)C1([NH3+])CCCC1)c1cccc(-n2ccnc2)c1 ZINC000237551199 539855888 /nfs/dbraw/zinc/85/58/88/539855888.db2.gz AJGWMZZZGOQRFT-ZDUSSCGKSA-N 1 0 298.390 2.321 10 0 CEAERO CCCN(CC[NH+](CC)CC)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000133460634 187685875 /nfs/dbraw/zinc/68/58/75/187685875.db2.gz CMORWKDXNCDSOT-GJZGRUSLSA-N 1 0 299.459 2.317 10 0 CEAERO CCN1CCO[C@H](C[NH2+]C[C@H]2CCCC[C@@H]2C)C1 ZINC000252644362 539884145 /nfs/dbraw/zinc/88/41/45/539884145.db2.gz OMQMWLNEVOWRAV-RRFJBIMHSA-N 1 0 254.418 2.123 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@]2(C)CCC[NH2+]2)cc1F ZINC000094956226 539888604 /nfs/dbraw/zinc/88/86/04/539888604.db2.gz IASYFUDPPMMUHO-NHYWBVRUSA-N 1 0 264.344 2.453 10 0 CEAERO O[C@@H]1CCCC[C@H]1[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000245626605 539952545 /nfs/dbraw/zinc/95/25/45/539952545.db2.gz PCTLSPRZNYYVBY-RRFJBIMHSA-N 1 0 275.396 2.119 10 0 CEAERO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2CO)cc1F ZINC000152298540 188008106 /nfs/dbraw/zinc/00/81/06/188008106.db2.gz BUYVHOIIGGPLQC-JSGCOSHPSA-N 1 0 267.344 2.475 10 0 CEAERO CCC[C@@H](C(=O)N1CCC[C@H](n2cc(C)cn2)C1)[NH+](C)C ZINC000155640251 188218462 /nfs/dbraw/zinc/21/84/62/188218462.db2.gz DIGPHQMBGXTFOC-GJZGRUSLSA-N 1 0 292.427 2.085 10 0 CEAERO CC[C@@H]1CN(c2ccc(S(=O)(=O)CC)cc2)CC[C@H]1[NH3+] ZINC000251756266 539990423 /nfs/dbraw/zinc/99/04/23/539990423.db2.gz LQXLWWDPHABIIE-IUODEOHRSA-N 1 0 296.436 2.044 10 0 CEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCc1ccc(O)c(F)c1 ZINC000156284345 188253471 /nfs/dbraw/zinc/25/34/71/188253471.db2.gz JVTJJZLFCZASDO-NSHDSACASA-N 1 0 297.374 2.061 10 0 CEAERO C[NH+](C)C[C@@H]1CN(Cc2cc(Cl)ccc2F)CCO1 ZINC000156646931 188274639 /nfs/dbraw/zinc/27/46/39/188274639.db2.gz CWAHIKVCCZEDCA-CYBMUJFWSA-N 1 0 286.778 2.242 10 0 CEAERO CCNC(=O)C[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000156730715 188278041 /nfs/dbraw/zinc/27/80/41/188278041.db2.gz QHBWFSOAQZFLFR-HNNXBMFYSA-N 1 0 260.381 2.426 10 0 CEAERO C[C@@H]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000252120019 539999464 /nfs/dbraw/zinc/99/94/64/539999464.db2.gz JERCOBGRGSNMNO-SYQHCUMBSA-N 1 0 252.402 2.304 10 0 CEAERO C[C@@H]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000252120018 539999471 /nfs/dbraw/zinc/99/94/71/539999471.db2.gz JERCOBGRGSNMNO-RQJABVFESA-N 1 0 252.402 2.304 10 0 CEAERO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000158379294 188372851 /nfs/dbraw/zinc/37/28/51/188372851.db2.gz HMRJEDOOVFJOKC-QEJZJMRPSA-N 1 0 258.365 2.048 10 0 CEAERO COC(=O)c1cccc(C[NH2+][C@@H]2CCO[C@@H]2C)c1Cl ZINC000295186750 199394667 /nfs/dbraw/zinc/39/46/67/199394667.db2.gz JZVHXCILFSCBML-BXKDBHETSA-N 1 0 283.755 2.394 10 0 CEAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000252611459 540005748 /nfs/dbraw/zinc/00/57/48/540005748.db2.gz VOWWZEFBQAZXNP-VLEAKVRGSA-N 1 0 278.318 2.222 10 0 CEAERO CC[C@H](CCO)[NH2+][C@H](C)c1c(C)nn(CC)c1C ZINC000131907146 366098802 /nfs/dbraw/zinc/09/88/02/366098802.db2.gz XKMYLVXVBLOMRG-ZWNOBZJWSA-N 1 0 253.390 2.331 10 0 CEAERO CC(C)C1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000161268282 188519167 /nfs/dbraw/zinc/51/91/67/188519167.db2.gz IQRXCFDFIYJURH-KGLIPLIRSA-N 1 0 252.402 2.399 10 0 CEAERO Cc1cnn([C@H]2CCCN(CC[NH+]3CCCCC3)C2)c1 ZINC000132295621 366133446 /nfs/dbraw/zinc/13/34/46/366133446.db2.gz OGQQRJLTLJEQAC-INIZCTEOSA-N 1 0 276.428 2.314 10 0 CEAERO Fc1ccc2c(c1)[C@H]([N@@H+]1CC[C@@H](N3CCOCC3)C1)CC2 ZINC000248343462 283005061 /nfs/dbraw/zinc/00/50/61/283005061.db2.gz KIMDIGMLMCBZQQ-NVXWUHKLSA-N 1 0 290.382 2.220 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)CCCOc2cccc(F)c2)C1 ZINC000170864671 188698868 /nfs/dbraw/zinc/69/88/68/188698868.db2.gz DKUZSPWSJVNCSU-AWEZNQCLSA-N 1 0 294.370 2.147 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc3ncsc3c2)C1 ZINC000171076710 188713673 /nfs/dbraw/zinc/71/36/73/188713673.db2.gz BRPWBLLDAROBNS-LLVKDONJSA-N 1 0 290.392 2.464 10 0 CEAERO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)CC[NH2+]1 ZINC000262324468 291045549 /nfs/dbraw/zinc/04/55/49/291045549.db2.gz CZXSJKUJUMLHHV-FQUUOJAGSA-N 1 0 282.428 2.084 10 0 CEAERO C[C@@H](c1cccc(F)c1)N1CCO[C@H](C[NH+](C)C)C1 ZINC000171635945 188749019 /nfs/dbraw/zinc/74/90/19/188749019.db2.gz IRBCCNVQGVMGNS-SWLSCSKDSA-N 1 0 266.360 2.149 10 0 CEAERO Cc1noc([C@@H](C)N2CC[NH+]([C@@H]3C=CCCC3)CC2)n1 ZINC000171746332 188757489 /nfs/dbraw/zinc/75/74/89/188757489.db2.gz GMJDNVUVJNZJAZ-TZMCWYRMSA-N 1 0 276.384 2.165 10 0 CEAERO CC[C@@H]1CN(CC23CCC(CC2)[NH2+]3)C[C@H](CC)O1 ZINC000675056056 540073587 /nfs/dbraw/zinc/07/35/87/540073587.db2.gz JFMCZPBVIVIPNH-HFDVOGEKSA-N 1 0 252.402 2.160 10 0 CEAERO CO[C@]1(CO)CCC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000401897810 540100627 /nfs/dbraw/zinc/10/06/27/540100627.db2.gz ZEWCLXQLVPGJHE-QWHCGFSZSA-N 1 0 277.355 2.285 10 0 CEAERO Cc1ccncc1C1=C[C@H]([NH3+])CN(C(=O)OC(C)(C)C)C1 ZINC000675079451 540119523 /nfs/dbraw/zinc/11/95/23/540119523.db2.gz YXMDDVWLSTXCHF-ZDUSSCGKSA-N 1 0 289.379 2.351 10 0 CEAERO CC(C)NC(=O)N1[C@@H](CC[NH3+])CCC[C@@H]1C(F)(F)F ZINC000675072696 540114497 /nfs/dbraw/zinc/11/44/97/540114497.db2.gz GIAUNFGMUBBSFV-NXEZZACHSA-N 1 0 281.322 2.239 10 0 CEAERO Cc1ccn(-c2ccccc2NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000261639502 540149295 /nfs/dbraw/zinc/14/92/95/540149295.db2.gz CMUJDLFUSRNZHW-ZIAGYGMSSA-N 1 0 298.390 2.494 10 0 CEAERO CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261717059 540150955 /nfs/dbraw/zinc/15/09/55/540150955.db2.gz JUROTOFKMATAGF-KBUPBQIOSA-N 1 0 296.455 2.319 10 0 CEAERO c1cnnc(N2CCC[C@@H]([NH2+]C3CCCCC3)C2)c1 ZINC000174361356 188894873 /nfs/dbraw/zinc/89/48/73/188894873.db2.gz KSHTWAAAOCNWEH-CQSZACIVSA-N 1 0 260.385 2.368 10 0 CEAERO CC(C)C[C@H](C)[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000089733348 535301339 /nfs/dbraw/zinc/30/13/39/535301339.db2.gz CJZKGXYVZHPXIO-KBPBESRZSA-N 1 0 262.401 2.470 10 0 CEAERO CC(C)[C@H]([NH3+])CCN(C)c1nc2ccccc2n1C ZINC000133649020 366243625 /nfs/dbraw/zinc/24/36/25/366243625.db2.gz RDZGGIGKMPWUDM-GFCCVEGCSA-N 1 0 260.385 2.383 10 0 CEAERO [NH3+]Cc1cnc(-c2ncsc2Br)o1 ZINC000575499700 366292217 /nfs/dbraw/zinc/29/22/17/366292217.db2.gz CYARWOQBWSLSDZ-UHFFFAOYSA-N 1 0 260.116 2.019 10 0 CEAERO N[C@]1(c2cncs2)CC[N@H+](Cc2ccccc2)C1 ZINC000575456993 366290535 /nfs/dbraw/zinc/29/05/35/366290535.db2.gz YNPGYNXDVCXZRB-CQSZACIVSA-N 1 0 259.378 2.203 10 0 CEAERO [NH3+][C@]1(Cc2ccc(Br)o2)CCSC1 ZINC000575567745 366296241 /nfs/dbraw/zinc/29/62/41/366296241.db2.gz ZNVRERUQRDQLIX-VIFPVBQESA-N 1 0 262.172 2.419 10 0 CEAERO C[C@H]1C[C@H]1NC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000075979496 363505345 /nfs/dbraw/zinc/50/53/45/363505345.db2.gz JVXFSKCREVWEDM-XJKSGUPXSA-N 1 0 287.407 2.142 10 0 CEAERO CCCN(CC[NH+](CC)CC)C(=O)[C@H]1CCCO[C@H]1C ZINC000190269758 283234751 /nfs/dbraw/zinc/23/47/51/283234751.db2.gz WLSHSWHXTGPFJV-GJZGRUSLSA-N 1 0 284.444 2.382 10 0 CEAERO CC(C)(C)OC(=O)N1CC[NH+](C2(C)CCOCC2)CC1 ZINC000167968731 538841731 /nfs/dbraw/zinc/84/17/31/538841731.db2.gz GKISYZCHCMKMFO-UHFFFAOYSA-N 1 0 284.400 2.108 10 0 CEAERO CC[N@H+](C)C[C@H](O)CN[C@H](C)c1ccc(Cl)s1 ZINC000310567977 540344790 /nfs/dbraw/zinc/34/47/90/540344790.db2.gz YIGXGRRADSJPPT-NXEZZACHSA-N 1 0 276.833 2.365 10 0 CEAERO C[C@]1(C(=O)Nc2cnn(Cc3ccccc3)c2)CCC[NH2+]1 ZINC000079544865 363613971 /nfs/dbraw/zinc/61/39/71/363613971.db2.gz LDALGMUCORZVQV-MRXNPFEDSA-N 1 0 284.363 2.012 10 0 CEAERO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2O)cc1 ZINC000135607972 366460290 /nfs/dbraw/zinc/46/02/90/366460290.db2.gz SDWFOMBUDGIIOR-CVEARBPZSA-N 1 0 276.380 2.428 10 0 CEAERO Cc1csc([C@@H](C)NC(=O)C[C@@H]2CCC[NH2+]C2)n1 ZINC000080272249 363654241 /nfs/dbraw/zinc/65/42/41/363654241.db2.gz IVDGUXJIVJNSPK-MNOVXSKESA-N 1 0 267.398 2.018 10 0 CEAERO Brc1cnn2c1NCC[C@H]2[C@@H]1CCC[NH2+]C1 ZINC000232457751 542255467 /nfs/dbraw/zinc/25/54/67/542255467.db2.gz QHEINPQLKIQQKU-SCZZXKLOSA-N 1 0 285.189 2.002 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000094646693 291189087 /nfs/dbraw/zinc/18/90/87/291189087.db2.gz HRLDLOBQXHMJIR-BVOGVELGSA-N 1 0 276.424 2.460 10 0 CEAERO Cc1nn(C)cc1CN[C@@H](C[NH+](C)C)c1ccccc1 ZINC000148867901 366585480 /nfs/dbraw/zinc/58/54/80/366585480.db2.gz RQONEQGDSSYECU-INIZCTEOSA-N 1 0 272.396 2.121 10 0 CEAERO Cn1cc(CCC(=O)N2CC[C@@H]([NH+](C)C)C2)c2ccccc21 ZINC000151430768 366644350 /nfs/dbraw/zinc/64/43/50/366644350.db2.gz CJQXQBWLCGKHPP-OAHLLOKOSA-N 1 0 299.418 2.273 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccc(F)cc1 ZINC000177025068 189021677 /nfs/dbraw/zinc/02/16/77/189021677.db2.gz OHHYENADEUKDJI-HNNXBMFYSA-N 1 0 293.386 2.451 10 0 CEAERO COC(=O)c1cc(CN2CC[N@@H+]3CCC[C@@H]3C2)c(C)s1 ZINC000177066876 189026513 /nfs/dbraw/zinc/02/65/13/189026513.db2.gz RQGAZNYLWXJTBC-CYBMUJFWSA-N 1 0 294.420 2.123 10 0 CEAERO COC[C@H](C)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000177313972 189044054 /nfs/dbraw/zinc/04/40/54/189044054.db2.gz MGPQXJPFNNZJIB-LBPRGKRZSA-N 1 0 264.369 2.278 10 0 CEAERO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)C[C@@H]1N1CCOCC1 ZINC000177250039 189039370 /nfs/dbraw/zinc/03/93/70/189039370.db2.gz MIBOMQOAFJIEFF-BBRMVZONSA-N 1 0 294.826 2.493 10 0 CEAERO CCC[C@H](C(=O)NCCc1ccc(OC)c(F)c1)[NH+](C)C ZINC000179194279 189176178 /nfs/dbraw/zinc/17/61/78/189176178.db2.gz BBBOMDIZJJJBAS-CQSZACIVSA-N 1 0 296.386 2.223 10 0 CEAERO CCc1cnc(C[NH2+][C@H]2CCCCC[C@@H]2O)s1 ZINC000342207848 216260645 /nfs/dbraw/zinc/26/06/45/216260645.db2.gz UBYAOBSAKZMDFL-RYUDHWBXSA-N 1 0 254.399 2.489 10 0 CEAERO CC[C@H](O)C[NH+]1CCN(Cc2cc(F)ccc2C)CC1 ZINC000180128822 189238578 /nfs/dbraw/zinc/23/85/78/189238578.db2.gz YHFKVJNQNWFRHC-INIZCTEOSA-N 1 0 280.387 2.023 10 0 CEAERO CC[C@H](C)Oc1cc(C(=O)N2CC[C@H]([NH+](C)C)C2)ccn1 ZINC000180253603 189246968 /nfs/dbraw/zinc/24/69/68/189246968.db2.gz XHVUTZXLUFLQMW-JSGCOSHPSA-N 1 0 291.395 2.035 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)c1cc(F)c(F)c(F)c1 ZINC000063008266 283622526 /nfs/dbraw/zinc/62/25/26/283622526.db2.gz RGSAUPITTGTHKB-WDEREUQCSA-N 1 0 272.270 2.104 10 0 CEAERO CCc1nn(C)cc1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000179982035 542259362 /nfs/dbraw/zinc/25/93/62/542259362.db2.gz BVDISQKXNVQZGL-UHFFFAOYSA-N 1 0 273.384 2.085 10 0 CEAERO [NH3+][C@H]1CC[C@@H](C(=O)Nc2nc3c(cccc3Cl)[nH]2)C1 ZINC000262242049 283640018 /nfs/dbraw/zinc/64/00/18/283640018.db2.gz OYFBGMXBHATTFB-SFYZADRCSA-N 1 0 278.743 2.282 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cncc(F)c1 ZINC000275111129 192915728 /nfs/dbraw/zinc/91/57/28/192915728.db2.gz GHWTVFLHHNNVLS-LSDHHAIUSA-N 1 0 263.360 2.279 10 0 CEAERO Nc1c[nH+]ccc1N1CCN2c3ccccc3CC[C@H]2C1 ZINC000005162676 361330303 /nfs/dbraw/zinc/33/03/03/361330303.db2.gz GUZOHLPBYOGINP-AWEZNQCLSA-N 1 0 280.375 2.305 10 0 CEAERO C[C@H](CS(C)(=O)=O)[NH2+][C@@H]1CCCCc2ccccc21 ZINC000081902011 363746984 /nfs/dbraw/zinc/74/69/84/363746984.db2.gz ZETVJIVSQJCZLD-IUODEOHRSA-N 1 0 281.421 2.477 10 0 CEAERO [NH3+][C@H](c1ccc[nH]1)c1cncc(Br)c1 ZINC000011737565 361363628 /nfs/dbraw/zinc/36/36/28/361363628.db2.gz UJPKSSGCJLIVPC-JTQLQIEISA-N 1 0 252.115 2.220 10 0 CEAERO COc1cccc2c1CC[N@H+](C[C@@H](O)COC(C)(C)C)C2 ZINC000182667621 189331202 /nfs/dbraw/zinc/33/12/02/189331202.db2.gz TYJSJYSDWXWMQQ-CQSZACIVSA-N 1 0 293.407 2.229 10 0 CEAERO COCCN1CC[N@H+](CCCc2cccc(F)c2)C[C@H]1C ZINC000182751621 189333871 /nfs/dbraw/zinc/33/38/71/189333871.db2.gz HHRKPMRGNMQEQC-OAHLLOKOSA-N 1 0 294.414 2.411 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc2cc[nH]c2c1 ZINC000083550371 363779542 /nfs/dbraw/zinc/77/95/42/363779542.db2.gz IHQBWBWKNJYDDI-SWLSCSKDSA-N 1 0 283.375 2.477 10 0 CEAERO CCO[C@@H]1C[C@H]([N@H+](C)C[C@H](O)COC(C)C)C12CCCC2 ZINC000154011875 366752287 /nfs/dbraw/zinc/75/22/87/366752287.db2.gz UFMKFNYAYMIRJM-HRCADAONSA-N 1 0 299.455 2.442 10 0 CEAERO CC1(CNC(=O)C2CC[NH2+]CC2)CCCCCC1 ZINC000183054355 189344792 /nfs/dbraw/zinc/34/47/92/189344792.db2.gz DHYITTCQBSZQGW-UHFFFAOYSA-N 1 0 252.402 2.463 10 0 CEAERO CCC(CC)[C@H]1C[C@H](NC(=O)C2CC[NH2+]CC2)CCO1 ZINC000183086143 189346213 /nfs/dbraw/zinc/34/62/13/189346213.db2.gz 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266.429 2.269 10 0 CEAERO CC[C@@H]1CN(C(=O)c2sccc2C)CCN1CCOC ZINC000117302725 365100943 /nfs/dbraw/zinc/10/09/43/365100943.db2.gz UWXWMORZUYQWSX-CYBMUJFWSA-N 1 0 296.436 2.239 10 0 CEAERO CCCCC[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000117880216 365129120 /nfs/dbraw/zinc/12/91/20/365129120.db2.gz NLUPKBONAHPVQV-UHFFFAOYSA-N 1 0 278.444 2.470 10 0 CEAERO CC(=O)c1ccc(NC(=O)N2CC[C@H]([NH+](C)C)C2)cc1C ZINC000119451511 365274910 /nfs/dbraw/zinc/27/49/10/365274910.db2.gz AXGHPZNDLOWGLX-AWEZNQCLSA-N 1 0 289.379 2.365 10 0 CEAERO CCCCOCC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000119462235 365276415 /nfs/dbraw/zinc/27/64/15/365276415.db2.gz QQDQMTQNDXLXDC-CQSZACIVSA-N 1 0 270.417 2.040 10 0 CEAERO CC[C@@](C)(O)C[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000119492117 365281322 /nfs/dbraw/zinc/28/13/22/365281322.db2.gz JFNGNZNTDNQWNT-IAGOWNOFSA-N 1 0 277.408 2.481 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)C1CC1 ZINC000119502123 365282634 /nfs/dbraw/zinc/28/26/34/365282634.db2.gz MNFOLALTMHQOOO-TZMCWYRMSA-N 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UAYJYYIAGNCZMV-ZDUSSCGKSA-N 1 0 260.385 2.171 10 0 CEAERO CCC[C@H](C(=O)NCCCCNc1ccccn1)[NH+](C)C ZINC000162019349 367131576 /nfs/dbraw/zinc/13/15/76/367131576.db2.gz ADVXSTGHNGCJOZ-CQSZACIVSA-N 1 0 292.427 2.120 10 0 CEAERO Cc1cc(Cl)ccc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000162596715 367172102 /nfs/dbraw/zinc/17/21/02/367172102.db2.gz ADFALODYMTUDOI-LBPRGKRZSA-N 1 0 266.772 2.425 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H](C)c1cccnc1 ZINC000245429283 370818901 /nfs/dbraw/zinc/81/89/01/370818901.db2.gz KEZBOUPQSIZZMB-HIFRSBDPSA-N 1 0 275.396 2.128 10 0 CEAERO CCC[C@@H](C(=O)NCC(O)(CCC)CCC)[NH+](C)C ZINC000162230566 367146894 /nfs/dbraw/zinc/14/68/94/367146894.db2.gz LEAKWYONIMGSRZ-ZDUSSCGKSA-N 1 0 272.433 2.164 10 0 CEAERO Cc1ccc(SCC(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000638884856 370819254 /nfs/dbraw/zinc/81/92/54/370819254.db2.gz FXIAORGIZWUJPC-OLZOCXBDSA-N 1 0 278.421 2.140 10 0 CEAERO CSc1ccccc1C(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638884869 370819687 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282.771 2.105 10 0 CEAERO C[C@H](C[NH2+]Cc1ccccn1)N(C)C(=O)OC(C)(C)C ZINC000282816656 375582722 /nfs/dbraw/zinc/58/27/22/375582722.db2.gz MZHZEABYTNDZAY-GFCCVEGCSA-N 1 0 279.384 2.427 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H](F)[C@@H]([NH3+])C2)C1 ZINC000261508342 190040166 /nfs/dbraw/zinc/04/01/66/190040166.db2.gz RMLUGCZJYTXPOU-NRUUGDAUSA-N 1 0 258.337 2.073 10 0 CEAERO [NH3+][C@@H]1CCO[C@H]1c1cc(F)cc(Br)c1 ZINC000306187303 376543012 /nfs/dbraw/zinc/54/30/12/376543012.db2.gz BTPYJGPGLPEECA-ZJUUUORDSA-N 1 0 260.106 2.377 10 0 CEAERO CO[C@@H]1C[C@H](CO)N(Cc2ccc(Cl)cc2F)C1 ZINC000311155598 376654137 /nfs/dbraw/zinc/65/41/37/376654137.db2.gz XBPJJQNMWSASHS-VXGBXAGGSA-N 1 0 273.735 2.061 10 0 CEAERO COC[C@]1(CNc2nc(C)cc(C(C)C)n2)CCC[NH2+]1 ZINC000312545021 376720011 /nfs/dbraw/zinc/72/00/11/376720011.db2.gz GBWCFKFITNTQJN-OAHLLOKOSA-N 1 0 278.400 2.089 10 0 CEAERO CO[C@H](C[NH2+]C[C@H](O)C(C)(C)C)c1ccccc1 ZINC000324383786 376840253 /nfs/dbraw/zinc/84/02/53/376840253.db2.gz XCVPDIOAGDWGQM-KGLIPLIRSA-N 1 0 251.370 2.371 10 0 CEAERO CSCc1cnc(C[NH2+][C@@H]2CCO[C@@H]2C)s1 ZINC000292872307 377324694 /nfs/dbraw/zinc/32/46/94/377324694.db2.gz DIECQSRIXJGJMY-PSASIEDQSA-N 1 0 258.412 2.273 10 0 CEAERO C[C@@H](C(=O)Nc1ccccn1)[C@@H]([NH3+])c1ccccc1 ZINC000131611664 249316027 /nfs/dbraw/zinc/31/60/27/249316027.db2.gz HMBRYFWVNJHYJM-BXUZGUMPSA-N 1 0 255.321 2.356 10 0 CEAERO CC(C)c1nn2c(nccc2C[NH3+])c1Br ZINC000232770897 542261862 /nfs/dbraw/zinc/26/18/62/542261862.db2.gz FLTFYCFNCMFIQG-UHFFFAOYSA-N 1 0 269.146 2.074 10 0 CEAERO CCCCc1nn2c(nccc2C[NH3+])c1Br ZINC000233027802 542267443 /nfs/dbraw/zinc/26/74/43/542267443.db2.gz ZJUSAZTZMAHKHO-UHFFFAOYSA-N 1 0 283.173 2.293 10 0 CEAERO Cn1cc([C@H](CNc2ncnc3ccccc32)[NH+](C)C)cn1 ZINC000301303526 379253608 /nfs/dbraw/zinc/25/36/08/379253608.db2.gz WRXYKVPHQNDRPX-HNNXBMFYSA-N 1 0 296.378 2.078 10 0 CEAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1cccc(Cl)c1F ZINC000184656862 183625193 /nfs/dbraw/zinc/62/51/93/183625193.db2.gz RDANWFCWBCKMEJ-MNOVXSKESA-N 1 0 286.778 2.460 10 0 CEAERO CC(C)Cc1nsc(N2C[C@@H](C)[C@H]([NH+](C)C)C2)n1 ZINC000302305769 379353397 /nfs/dbraw/zinc/35/33/97/379353397.db2.gz REHBKPIKUZLMQR-GHMZBOCLSA-N 1 0 268.430 2.123 10 0 CEAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCCCF ZINC000181313474 542272552 /nfs/dbraw/zinc/27/25/52/542272552.db2.gz LAWVIQSWGWSPCK-ZDUSSCGKSA-N 1 0 281.375 2.166 10 0 CEAERO C[C@@H](O)C[N@@H+]1CCN(Cc2cccc3cnccc32)C[C@H]1C ZINC000183276906 542290427 /nfs/dbraw/zinc/29/04/27/542290427.db2.gz XJRSRLRMYPRMJR-HUUCEWRRSA-N 1 0 299.418 2.122 10 0 CEAERO C[C@H]1CN(C[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC(C)(C)O1 ZINC000041681549 184551598 /nfs/dbraw/zinc/55/15/98/184551598.db2.gz WBOLKODNWUUFOE-AJNGGQMLSA-N 1 0 266.429 2.406 10 0 CEAERO CC[NH2+][C@H](C)c1cc(F)ccc1N(CCO)C1CC1 ZINC000042479866 184553476 /nfs/dbraw/zinc/55/34/76/184553476.db2.gz MSZQPVIDEAFPQK-LLVKDONJSA-N 1 0 266.360 2.457 10 0 CEAERO C[NH2+][C@H](C)c1cc(F)ccc1N(CCO)C1CC1 ZINC000042479862 184553931 /nfs/dbraw/zinc/55/39/31/184553931.db2.gz HKMNURDNFLMHLB-SNVBAGLBSA-N 1 0 252.333 2.067 10 0 CEAERO [NH3+]CCSCc1nscc1Br ZINC000039341438 184545919 /nfs/dbraw/zinc/54/59/19/184545919.db2.gz JFGHBNZAUOGYRW-UHFFFAOYSA-N 1 0 253.190 2.098 10 0 CEAERO COc1ccc([C@@H](C)NC(=[NH2+])NC(C)C)cc1OC ZINC000052043534 184566903 /nfs/dbraw/zinc/56/69/03/184566903.db2.gz BZLPVBSMMULROE-SNVBAGLBSA-N 1 0 265.357 2.287 10 0 CEAERO CCOC(=O)c1cc(N)ccc1NCC(C)(C)[NH+](C)C ZINC000043412684 184560223 /nfs/dbraw/zinc/56/02/23/184560223.db2.gz ZSIKCABGNVVCBT-UHFFFAOYSA-N 1 0 279.384 2.198 10 0 CEAERO C[C@@H]([NH3+])c1ccc(SCCC(=O)N(C)C)cc1 ZINC000079576736 184594143 /nfs/dbraw/zinc/59/41/43/184594143.db2.gz JAFZTUIDTILQMR-SNVBAGLBSA-N 1 0 252.383 2.277 10 0 CEAERO C[NH2+][C@@H]1CCCC[C@H]1Sc1nnnn1C1CCCC1 ZINC000081866550 184598801 /nfs/dbraw/zinc/59/88/01/184598801.db2.gz QWCOBYQNSFYXNL-VXGBXAGGSA-N 1 0 281.429 2.411 10 0 CEAERO [NH3+]CCC[C@@H](C(=O)NC1CC1)c1ccccc1Cl ZINC000076703890 184590345 /nfs/dbraw/zinc/59/03/45/184590345.db2.gz YKVZVOWQROOBFR-GFCCVEGCSA-N 1 0 266.772 2.441 10 0 CEAERO [NH3+][C@H](C[C@@H]1CCCO1)c1cc2c(cc1Cl)NC(=O)C2 ZINC000087212892 184613007 /nfs/dbraw/zinc/61/30/07/184613007.db2.gz GZRMGINCOSHKJW-JOYOIKCWSA-N 1 0 280.755 2.404 10 0 CEAERO CC(C)n1cc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C[NH3+] ZINC000088907126 184613750 /nfs/dbraw/zinc/61/37/50/184613750.db2.gz DFMUKTVCHJUIGE-LBPRGKRZSA-N 1 0 299.440 2.091 10 0 CEAERO CCCCN(CC)S(=O)(=O)CCCC[NH2+]CCC ZINC000088916142 184614355 /nfs/dbraw/zinc/61/43/55/184614355.db2.gz VSNYIPGHGSRLEH-UHFFFAOYSA-N 1 0 278.462 2.218 10 0 CEAERO CCCN(C(C)C)S(=O)(=O)c1ccc(C)c(C[NH3+])c1 ZINC000088945583 184614942 /nfs/dbraw/zinc/61/49/42/184614942.db2.gz MEOADQWCYQWBNG-UHFFFAOYSA-N 1 0 284.425 2.263 10 0 CEAERO C[NH2+]Cc1cccc(CS(=O)(=O)N(C)[C@@H](C)C(C)C)c1 ZINC000088963538 184615698 /nfs/dbraw/zinc/61/56/98/184615698.db2.gz DWMSWOLZUNUNES-ZDUSSCGKSA-N 1 0 298.452 2.212 10 0 CEAERO COc1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2CO)cc1O ZINC000089522553 184615992 /nfs/dbraw/zinc/61/59/92/184615992.db2.gz SIVGBCUXFPCXKN-KBPBESRZSA-N 1 0 279.380 2.289 10 0 CEAERO CCOc1cc(C[NH2+]C)ccc1OCCC(C)(C)O ZINC000092799972 184627256 /nfs/dbraw/zinc/62/72/56/184627256.db2.gz LNMUATLYOCFOLL-UHFFFAOYSA-N 1 0 267.369 2.345 10 0 CEAERO COCC[NH2+]C[C@H]1C[C@@]12CCc1ccc(OC)cc12 ZINC000092859087 184632315 /nfs/dbraw/zinc/63/23/15/184632315.db2.gz QLSZYPUFVNQWLA-CJNGLKHVSA-N 1 0 261.365 2.135 10 0 CEAERO O=S1(=O)CCC[C@@]2(CC[NH2+]C[C@@H]2Cc2ccccc2)C1 ZINC000092691426 184621825 /nfs/dbraw/zinc/62/18/25/184621825.db2.gz UAMZWQCMYOJOBM-JKSUJKDBSA-N 1 0 293.432 2.034 10 0 CEAERO CCOc1ccccc1[C@@H](CSC1COC1)[NH2+]C ZINC000092712916 184622463 /nfs/dbraw/zinc/62/24/63/184622463.db2.gz MCTNBJPJADIDMD-CYBMUJFWSA-N 1 0 267.394 2.478 10 0 CEAERO COc1ccc(/C=C/C[NH2+]C2CC2)c(OC)c1OC ZINC000092729769 184623658 /nfs/dbraw/zinc/62/36/58/184623658.db2.gz VKLUPPHPZWBPGY-SNAWJCMRSA-N 1 0 263.337 2.478 10 0 CEAERO COCC[NH2+]C[C@@H]1CCO[C@H]1c1ccc(OC)cc1 ZINC000092881994 184633444 /nfs/dbraw/zinc/63/34/44/184633444.db2.gz PDQHWSUNHAVTLW-ZFWWWQNUSA-N 1 0 265.353 2.009 10 0 CEAERO C[NH2+]C[C@H]1CCCO[C@@H]1c1ccc2c(c1)OCCO2 ZINC000092883505 184633460 /nfs/dbraw/zinc/63/34/60/184633460.db2.gz LMYJQUUPJOHPHQ-IUODEOHRSA-N 1 0 263.337 2.145 10 0 CEAERO [NH3+][C@H]1CC[C@@H](Nc2cnc(-c3ccccc3)nc2)C1 ZINC000093206819 184655637 /nfs/dbraw/zinc/65/56/37/184655637.db2.gz KRAPKVJSYWQNKR-QWHCGFSZSA-N 1 0 254.337 2.435 10 0 CEAERO O=S1(=O)CC[C@@]2(C1)CC[NH2+]C[C@@H]2c1ccc(Cl)cc1 ZINC000093160113 184652172 /nfs/dbraw/zinc/65/21/72/184652172.db2.gz KEQSJIURBOUWDU-ZIAGYGMSSA-N 1 0 299.823 2.222 10 0 CEAERO C[NH2+]C[C@H](CCS(C)(=O)=O)c1cccc(Cl)c1 ZINC000093166002 184652894 /nfs/dbraw/zinc/65/28/94/184652894.db2.gz VSKQJQHPCRLQJW-NSHDSACASA-N 1 0 275.801 2.078 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)CCC(C)(C)C ZINC000175392769 285240606 /nfs/dbraw/zinc/24/06/06/285240606.db2.gz IUBSHGCLNNUPBC-CYBMUJFWSA-N 1 0 290.473 2.169 10 0 CEAERO C[C@H](C[C@H]1CCCC[NH2+]1)Nc1ccccc1CC(N)=O ZINC000093485757 184682830 /nfs/dbraw/zinc/68/28/30/184682830.db2.gz ZATSNQOXEOVHBS-TZMCWYRMSA-N 1 0 275.396 2.047 10 0 CEAERO COc1ccc2c(c1)[C@H](O)[C@H]([C@@H]1CCCC[NH2+]1)CC2 ZINC000093517199 184686612 /nfs/dbraw/zinc/68/66/12/184686612.db2.gz UPONXOYYKFXTFC-CWRNSKLLSA-N 1 0 261.365 2.433 10 0 CEAERO COc1ccc(CC[C@@]2(C)C[NH+]=C(N)N2C(C)C)cc1 ZINC000093374226 184668255 /nfs/dbraw/zinc/66/82/55/184668255.db2.gz WJHRMDAGICHTCK-INIZCTEOSA-N 1 0 275.396 2.425 10 0 CEAERO COc1ccc(C)cc1[C@]1(C)CNC(=[NH2+])N1C1CC1 ZINC000093373822 184668269 /nfs/dbraw/zinc/66/82/69/184668269.db2.gz FEPPYCRRPOIPHB-HNNXBMFYSA-N 1 0 259.353 2.012 10 0 CEAERO CC(C)N1C(N)=[NH+]C[C@@]1(C)CCc1ccc(O)cc1 ZINC000093374319 184668381 /nfs/dbraw/zinc/66/83/81/184668381.db2.gz SJOISOOOSASSLZ-OAHLLOKOSA-N 1 0 261.369 2.122 10 0 CEAERO CC[C@H](C)N1C(=[NH2+])NC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000093380718 184669200 /nfs/dbraw/zinc/66/92/00/184669200.db2.gz CGUVOBMRVFTDKT-CMPLNLGQSA-N 1 0 277.368 2.174 10 0 CEAERO CC[N@@H+]1CC[C@@H](CNc2cccc(F)c2C(N)=S)C1 ZINC000093407171 184671032 /nfs/dbraw/zinc/67/10/32/184671032.db2.gz OLMURSYLWOHSAL-JTQLQIEISA-N 1 0 281.400 2.214 10 0 CEAERO C[C@@H](NC(=O)C1CCC(C[NH3+])CC1)c1ccncc1 ZINC000093424841 184673763 /nfs/dbraw/zinc/67/37/63/184673763.db2.gz PJTCRGKBYYBLNY-LKSINWNRSA-N 1 0 261.369 2.024 10 0 CEAERO C[C@H](C[C@@H]1CCC[NH2+]1)Nc1ccc(-n2cncn2)cc1 ZINC000093465036 184678962 /nfs/dbraw/zinc/67/89/62/184678962.db2.gz ROYQLZXPBHYQRI-OCCSQVGLSA-N 1 0 271.368 2.210 10 0 CEAERO CC[C@@H](CS(=O)(=O)c1cc(C)ccc1C)[NH2+]C ZINC000081922293 177896209 /nfs/dbraw/zinc/89/62/09/177896209.db2.gz RIHPMNJYVAAABW-LBPRGKRZSA-N 1 0 255.383 2.075 10 0 CEAERO CC[NH2+][C@@H](C)CCS(=O)(=O)c1ccc(C)c(C)c1 ZINC000081921960 177894781 /nfs/dbraw/zinc/89/47/81/177894781.db2.gz PDRBOFPMXODKQL-ZDUSSCGKSA-N 1 0 269.410 2.465 10 0 CEAERO Cc1nnc(S[C@H]2CC(C)(C)CC[C@@H]2[NH3+])n1C ZINC000081886194 177878050 /nfs/dbraw/zinc/87/80/50/177878050.db2.gz KEDQEWYTUMHAIH-UWVGGRQHSA-N 1 0 254.403 2.122 10 0 CEAERO COc1ccc([C@@H]([NH3+])[C@H](C)Sc2nnc(C)n2C)cc1 ZINC000081886514 177877626 /nfs/dbraw/zinc/87/76/26/177877626.db2.gz JZKZFVWCGRMBAW-ZANVPECISA-N 1 0 292.408 2.313 10 0 CEAERO CC[NH2+][C@@H](C)[C@H](C)Sc1nnc2ccccn21 ZINC000081881020 177875237 /nfs/dbraw/zinc/87/52/37/177875237.db2.gz AZVKASKARXIKFN-UWVGGRQHSA-N 1 0 250.371 2.208 10 0 CEAERO CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1Sc1n[nH]c(=O)n1C ZINC000081880519 177874721 /nfs/dbraw/zinc/87/47/21/177874721.db2.gz HNEOXTNADMQAAY-TUAOUCFPSA-N 1 0 298.456 2.003 10 0 CEAERO Cc1ccccc1[C@H]([NH3+])CSc1n[nH]c(=O)n1C(C)C ZINC000081879378 177873411 /nfs/dbraw/zinc/87/34/11/177873411.db2.gz PAZRVRBCICWYSJ-GFCCVEGCSA-N 1 0 292.408 2.253 10 0 CEAERO COC(=O)CSCc1cc([C@@H](C)[NH3+])ccc1OC ZINC000081793688 177860925 /nfs/dbraw/zinc/86/09/25/177860925.db2.gz IQQXTFBBBFRVMT-SECBINFHSA-N 1 0 269.366 2.121 10 0 CEAERO C[NH2+][C@H](CSCC(=O)OC)c1cc(C)ccc1C ZINC000081792857 177860650 /nfs/dbraw/zinc/86/06/50/177860650.db2.gz FBNPIYKOITXDCP-CYBMUJFWSA-N 1 0 267.394 2.470 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)N[C@@H](C)CCOC ZINC000081708847 177842546 /nfs/dbraw/zinc/84/25/46/177842546.db2.gz JGLLNFCEPKLSGO-LBPRGKRZSA-N 1 0 258.406 2.073 10 0 CEAERO CC(C)C[C@H](C[NH3+])Nc1nccc(C(F)(F)F)n1 ZINC000081587113 177825383 /nfs/dbraw/zinc/82/53/83/177825383.db2.gz ZEPMERXJZMRITP-MRVPVSSYSA-N 1 0 262.279 2.281 10 0 CEAERO CCO[C@@H](C)c1noc(C2CCC([NH2+]C)CC2)n1 ZINC000080744830 177697217 /nfs/dbraw/zinc/69/72/17/177697217.db2.gz QPQVRVKARDCMDD-WHXUTIOJSA-N 1 0 253.346 2.413 10 0 CEAERO CCCN1C(=O)C[C@H]([NH3+])[C@H]1c1cccc2c1OC(C)(C)C2 ZINC000080508471 177660663 /nfs/dbraw/zinc/66/06/63/177660663.db2.gz XEHUSSWTXWHMFB-DZGCQCFKSA-N 1 0 288.391 2.411 10 0 CEAERO CCN1C(=O)C[C@H]([NH3+])[C@@H]1c1cccc2c1OC(C)(C)C2 ZINC000080508462 177660565 /nfs/dbraw/zinc/66/05/65/177660565.db2.gz HFWJSLAQXLYKHO-JSGCOSHPSA-N 1 0 274.364 2.021 10 0 CEAERO COCCN1CC[C@H]([NH3+])[C@@H]1c1cccc2c1OC(C)(C)C2 ZINC000080508673 177660139 /nfs/dbraw/zinc/66/01/39/177660139.db2.gz ROSSXAALVNPEFY-GJZGRUSLSA-N 1 0 290.407 2.121 10 0 CEAERO C[C@@H](CC[NH3+])CCC(=O)N[C@@H](C)c1nccs1 ZINC000080270057 177634584 /nfs/dbraw/zinc/63/45/84/177634584.db2.gz PGNVIVCDLNMMAJ-ZJUUUORDSA-N 1 0 255.387 2.085 10 0 CEAERO CC[C@@H](NC(=O)CCC[NH2+]C(C)C)c1nccs1 ZINC000080269411 177634173 /nfs/dbraw/zinc/63/41/73/177634173.db2.gz DNYLQRHMMUKVRY-LLVKDONJSA-N 1 0 269.414 2.489 10 0 CEAERO C[NH2+][C@H]1CCC[C@H]1CCn1ncc(=O)c2ccccc21 ZINC000093556902 184690955 /nfs/dbraw/zinc/69/09/55/184690955.db2.gz NQXXQQLEXKRAOX-JSGCOSHPSA-N 1 0 271.364 2.175 10 0 CEAERO O=C([O-])[C@@]1([NH2+]C2CC2)CCC[C@H]1CC[NH+]1CCCCC1 ZINC000093584483 184693402 /nfs/dbraw/zinc/69/34/02/184693402.db2.gz NEVPGVNUYHYKCG-XJKSGUPXSA-N 1 0 280.412 2.238 10 0 CEAERO CC[NH2+][C@@]1(C(N)=O)CCC[C@@H]1CCOC(C)(C)CC ZINC000093619272 184696874 /nfs/dbraw/zinc/69/68/74/184696874.db2.gz HYXYAGPAGJJREC-DOMZBBRYSA-N 1 0 270.417 2.215 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1CCS(=O)(=O)Cc1ccccc1 ZINC000093623074 184697982 /nfs/dbraw/zinc/69/79/82/184697982.db2.gz JEQKFKLNKDKZBK-ZIAGYGMSSA-N 1 0 267.394 2.119 10 0 CEAERO C[NH2+][C@@]1(C(N)=O)CCC[C@H]1CCSCc1ccco1 ZINC000093626912 184698319 /nfs/dbraw/zinc/69/83/19/184698319.db2.gz WPLWDYGDERJWDT-FZMZJTMJSA-N 1 0 282.409 2.147 10 0 CEAERO C[NH2+][C@@]1(C(N)=O)CCC[C@@H]1CCOc1ccc(C)c(C)c1 ZINC000093624834 184698434 /nfs/dbraw/zinc/69/84/34/184698434.db2.gz PWKSCMNBWSZYKD-PBHICJAKSA-N 1 0 290.407 2.316 10 0 CEAERO CCC[NH2+]CC/C=C/Cc1ncnn1CC(C)C ZINC000093673767 184704363 /nfs/dbraw/zinc/70/43/63/184704363.db2.gz RAKJDTCVAIAFSB-AATRIKPKSA-N 1 0 250.390 2.423 10 0 CEAERO CN[C@]1(C(=O)OC)CCC[C@H]([NH+]2CCCCCCC2)C1 ZINC000093748132 184713461 /nfs/dbraw/zinc/71/34/61/184713461.db2.gz PRSZYRQUZSBFIY-GOEBONIOSA-N 1 0 282.428 2.326 10 0 CEAERO CCC1CC[NH+]([C@@H]2CCC[C@@](NC)(C(=O)OC)C2)CC1 ZINC000093752709 184713706 /nfs/dbraw/zinc/71/37/06/184713706.db2.gz VKRCNOKHKCIKSM-ZBFHGGJFSA-N 1 0 282.428 2.182 10 0 CEAERO c1ccc2c(c1)OC[C@H]2N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000094449947 184803192 /nfs/dbraw/zinc/80/31/92/184803192.db2.gz LVRFELUPHYISJC-UKRRQHHQSA-N 1 0 258.365 2.290 10 0 CEAERO CCC[NH2+][C@H](c1ccccc1)[C@@H]1CN(CC)CCO1 ZINC000093915158 184742098 /nfs/dbraw/zinc/74/20/98/184742098.db2.gz VEAQFMBQZHBVNB-JKSUJKDBSA-N 1 0 262.397 2.448 10 0 CEAERO CCCC[C@H](CC)C[N@@H+]1CCO[C@H](C(N)=S)C1 ZINC000093934541 184745263 /nfs/dbraw/zinc/74/52/63/184745263.db2.gz MRVCIVRBQVTEFI-RYUDHWBXSA-N 1 0 258.431 2.190 10 0 CEAERO CCOC(=O)c1cc(N)ccc1OCC(C)(C)[NH+](C)C ZINC000093955300 184745923 /nfs/dbraw/zinc/74/59/23/184745923.db2.gz FELBEISVDKNAIT-UHFFFAOYSA-N 1 0 280.368 2.165 10 0 CEAERO COC(=O)c1cccc(NC2CCC([NH3+])CC2)c1C ZINC000094079577 184753859 /nfs/dbraw/zinc/75/38/59/184753859.db2.gz PDKYVFWUPILMAI-UHFFFAOYSA-N 1 0 262.353 2.463 10 0 CEAERO CCn1c2ccccc2nc1C[C@@H]([NH3+])c1ccn(C)n1 ZINC000094171526 184759401 /nfs/dbraw/zinc/75/94/01/184759401.db2.gz NFBHZKDMNRVEPP-LLVKDONJSA-N 1 0 269.352 2.032 10 0 CEAERO CCN(C(=O)c1ccc(F)c(F)c1F)C1CC[NH2+]CC1 ZINC000094185000 184760289 /nfs/dbraw/zinc/76/02/89/184760289.db2.gz QNDFJVXVJPPQFL-UHFFFAOYSA-N 1 0 286.297 2.318 10 0 CEAERO C[NH2+]Cc1ccc(OCc2cncn2C(C)C)cn1 ZINC000094209139 184763079 /nfs/dbraw/zinc/76/30/79/184763079.db2.gz UMBMKDPQHWSURL-UHFFFAOYSA-N 1 0 260.341 2.157 10 0 CEAERO CC[C@@](C)([NH3+])C(=O)Nc1cccc(OC(F)F)c1 ZINC000094232995 184766802 /nfs/dbraw/zinc/76/68/02/184766802.db2.gz XNXNPVIGFNTOKK-GFCCVEGCSA-N 1 0 258.268 2.354 10 0 CEAERO Cc1cscc1C(=O)N1C[C@@H]2C[C@@H]([NH3+])CC[C@@H]2C1 ZINC000094248257 184769844 /nfs/dbraw/zinc/76/98/44/184769844.db2.gz DMOGCZRSHGYSFV-WOPDTQHZSA-N 1 0 264.394 2.256 10 0 CEAERO O[C@H](Cc1nccs1)C1([NH+]2CCCC2)CCCC1 ZINC000094252560 184770423 /nfs/dbraw/zinc/77/04/23/184770423.db2.gz USBOHXHGHBAGDQ-GFCCVEGCSA-N 1 0 266.410 2.455 10 0 CEAERO CCOc1ccc2nc([C@@H]3CCCC[C@@H]3[NH3+])[nH]c2n1 ZINC000094262518 184771115 /nfs/dbraw/zinc/77/11/15/184771115.db2.gz HNDRQBKVGDADNU-ZJUUUORDSA-N 1 0 260.341 2.342 10 0 CEAERO COC(=O)c1ccc(N(C)[C@@H]2CCC[C@@H]2C[NH3+])c(F)c1F ZINC000094272265 184774373 /nfs/dbraw/zinc/77/43/73/184774373.db2.gz UAFUQOUWQJIXPC-MWLCHTKSSA-N 1 0 298.333 2.315 10 0 CEAERO C[C@H]([NH3+])c1cccc(O[C@@H]2CCO[C@]3(CCOC3)C2)c1 ZINC000094363480 184789244 /nfs/dbraw/zinc/78/92/44/184789244.db2.gz FWIKYTWIYRSNND-APHBMKBZSA-N 1 0 277.364 2.423 10 0 CEAERO C[C@H](C[N@H+](C)[C@@H]1CCOC2(CCCC2)C1)C(N)=S ZINC000094375905 184791277 /nfs/dbraw/zinc/79/12/77/184791277.db2.gz VHWFYIPJSLKNIJ-VXGBXAGGSA-N 1 0 270.442 2.332 10 0 CEAERO C(O[C@H]1CCOC2(CCSCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000094381019 184791545 /nfs/dbraw/zinc/79/15/45/184791545.db2.gz RERVOOJBCSEHLE-OLZOCXBDSA-N 1 0 271.426 2.057 10 0 CEAERO CC1CCC([NH3+])([C@H]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000094390071 184792703 /nfs/dbraw/zinc/79/27/03/184792703.db2.gz OMFTWKHRMYVQLN-GQKFXUNGSA-N 1 0 253.386 2.480 10 0 CEAERO [NH3+]C1([C@@H]2CCOC3(CCSCC3)C2)CCOCC1 ZINC000094390958 184792866 /nfs/dbraw/zinc/79/28/66/184792866.db2.gz GYDDEMPDSBUCEH-GFCCVEGCSA-N 1 0 271.426 2.187 10 0 CEAERO C[NH2+][C@H](c1ccncn1)[C@@H]1CCOC2(CCCC2)C1 ZINC000094403220 184793364 /nfs/dbraw/zinc/79/33/64/184793364.db2.gz KSKSXVRLOORKTI-OCCSQVGLSA-N 1 0 261.369 2.477 10 0 CEAERO COCCC[C@@H]([NH3+])[C@@H]1CCOC2(CCSCC2)C1 ZINC000094403920 184793496 /nfs/dbraw/zinc/79/34/96/184793496.db2.gz NWZZJFDKSSDIAP-CHWSQXEVSA-N 1 0 273.442 2.433 10 0 CEAERO CC[C@H]([NH3+])c1cnn([C@@H]2CCOC3(CCOCC3)C2)c1 ZINC000094412408 184794278 /nfs/dbraw/zinc/79/42/78/184794278.db2.gz QJLHOIIHCBRNIL-KGLIPLIRSA-N 1 0 279.384 2.194 10 0 CEAERO Cc1cnc(NC(=O)[C@H]2CCCCC[C@@H]2[NH3+])s1 ZINC000094749213 184852069 /nfs/dbraw/zinc/85/20/69/184852069.db2.gz VJRIZNOVQXLGBT-UWVGGRQHSA-N 1 0 253.371 2.298 10 0 CEAERO CC[NH2+][C@@H](C)c1cc(F)c(C)cc1N1CCCNC(=O)C1 ZINC000094766871 184857042 /nfs/dbraw/zinc/85/70/42/184857042.db2.gz ZEXYWDVDUBPICK-LBPRGKRZSA-N 1 0 293.386 2.131 10 0 CEAERO COC(=O)C[C@](C)(c1cc(F)cc(F)c1)[C@@H](C)[NH3+] ZINC000094831729 184877709 /nfs/dbraw/zinc/87/77/09/184877709.db2.gz JGLCKZLFBXPCEY-OQPBUACISA-N 1 0 257.280 2.133 10 0 CEAERO Cc1nc(CN(C)[C@]2(C[NH3+])CCCS[C@@H]2C)cs1 ZINC000094479074 184808715 /nfs/dbraw/zinc/80/87/15/184808715.db2.gz MSZXEPDWSLHHCB-MFKMUULPSA-N 1 0 285.482 2.496 10 0 CEAERO CC[C@H]([NH3+])[C@@H](C)c1nc(CCC(F)(F)F)no1 ZINC000094494209 184809704 /nfs/dbraw/zinc/80/97/04/184809704.db2.gz HDSIBWAUWHWFOJ-RQJHMYQMSA-N 1 0 251.252 2.405 10 0 CEAERO CC[NH2+][C@H](c1ccnn1CC)[C@H]1CSCCS1 ZINC000094497646 184810377 /nfs/dbraw/zinc/81/03/77/184810377.db2.gz QCMUYYFRIZGNEP-VXGBXAGGSA-N 1 0 271.455 2.402 10 0 CEAERO CCC[NH2+][C@H](Cc1cc(C)nn1C)[C@H]1CSCCS1 ZINC000094498854 184810436 /nfs/dbraw/zinc/81/04/36/184810436.db2.gz MZRWMYGBOSHLOK-ZIAGYGMSSA-N 1 0 299.509 2.488 10 0 CEAERO [NH3+][C@H](c1cnc2ccccc2c1)[C@H]1CSCCO1 ZINC000094502269 184810848 /nfs/dbraw/zinc/81/08/48/184810848.db2.gz DTZVTZDPOWJXLK-ZIAGYGMSSA-N 1 0 260.362 2.367 10 0 CEAERO [NH3+]CC1CCC(c2nc([C@@H]3CSCCO3)no2)CC1 ZINC000094501776 184811221 /nfs/dbraw/zinc/81/12/21/184811221.db2.gz GPPRBBQMHRNTCY-ILDUYXDCSA-N 1 0 283.397 2.107 10 0 CEAERO CC[NH2+][C@@H](Cc1ccc(F)cc1)[C@H]1CSCCO1 ZINC000094503711 184811522 /nfs/dbraw/zinc/81/15/22/184811522.db2.gz DXCAVNSSIKMBDA-UONOGXRCSA-N 1 0 269.385 2.478 10 0 CEAERO Cn1cnnc1CC[NH2+]Cc1ccc(C2CC2)cc1 ZINC000094519861 184813496 /nfs/dbraw/zinc/81/34/96/184813496.db2.gz MHWMEJKMPPDYHG-UHFFFAOYSA-N 1 0 256.353 2.025 10 0 CEAERO C[C@@H]1C[C@H]([NH3+])CN(Cc2cc(F)c(F)c(F)c2)C1 ZINC000094548010 184815628 /nfs/dbraw/zinc/81/56/28/184815628.db2.gz COSQSQZYMLSEKY-SCZZXKLOSA-N 1 0 258.287 2.273 10 0 CEAERO C[C@@H]1C[C@H]([NH3+])CN(C(=O)c2ccc(F)cc2Cl)C1 ZINC000094549993 184817062 /nfs/dbraw/zinc/81/70/62/184817062.db2.gz ONAYWXMREFJLJZ-SCZZXKLOSA-N 1 0 270.735 2.288 10 0 CEAERO [NH3+]C[C@H]1CC[C@H](c2nc(-c3ccccc3F)no2)O1 ZINC000094561000 184818541 /nfs/dbraw/zinc/81/85/41/184818541.db2.gz STNXYUQAMQTIMG-LDYMZIIASA-N 1 0 263.272 2.055 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1cc(CC)ccc1O ZINC000094575335 184820971 /nfs/dbraw/zinc/82/09/71/184820971.db2.gz YVIDRFUQJYOFDH-JTQLQIEISA-N 1 0 250.342 2.281 10 0 CEAERO [NH3+]C1CC(NC(=O)c2cccc(C(F)(F)F)c2F)C1 ZINC000094599857 184823665 /nfs/dbraw/zinc/82/36/65/184823665.db2.gz KOVRGEPYQAXDIB-UHFFFAOYSA-N 1 0 276.233 2.064 10 0 CEAERO CCCN(c1nc2c(C)cccn2n1)[C@@H]1CCC[NH2+]C1 ZINC000094608234 184825382 /nfs/dbraw/zinc/82/53/82/184825382.db2.gz NYGUJZWWZYJSBT-CYBMUJFWSA-N 1 0 273.384 2.006 10 0 CEAERO CCC[C@@H](C[NH3+])Nc1nc2ccc(Br)cn2n1 ZINC000094608630 184825441 /nfs/dbraw/zinc/82/54/41/184825441.db2.gz UDPIDCRDVFAHKV-VIFPVBQESA-N 1 0 298.188 2.031 10 0 CEAERO C[NH2+][C@H](CC(C)C)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094641720 184832581 /nfs/dbraw/zinc/83/25/81/184832581.db2.gz QIOJHEMYWFSHPW-FRRDWIJNSA-N 1 0 261.431 2.224 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc(N(C)C)cc1 ZINC000094647331 184833269 /nfs/dbraw/zinc/83/32/69/184833269.db2.gz HRAQSVCXQBRJQU-FZMZJTMJSA-N 1 0 261.369 2.079 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000094648218 184833653 /nfs/dbraw/zinc/83/36/53/184833653.db2.gz AVDDNAYABOJQSV-APPZFPTMSA-N 1 0 272.270 2.431 10 0 CEAERO COc1ccc([C@H](O)[C@]2(C[NH3+])CCOC2)c2ccccc12 ZINC000094693723 184840638 /nfs/dbraw/zinc/84/06/38/184840638.db2.gz SOJXRSMRKMQRFL-IRXDYDNUSA-N 1 0 287.359 2.247 10 0 CEAERO CC(C)C[C@H](C[NH3+])C(=O)N[C@H](C)c1cccc(O)c1 ZINC000094697422 184841536 /nfs/dbraw/zinc/84/15/36/184841536.db2.gz UAXYZSDZMUIWMC-DGCLKSJQSA-N 1 0 264.369 2.190 10 0 CEAERO CC(C)C[C@@H](C[NH3+])C(=O)N1CCC[C@H]1c1ccc[nH]1 ZINC000094698823 184842748 /nfs/dbraw/zinc/84/27/48/184842748.db2.gz JKLMACLFQSHEGU-JSGCOSHPSA-N 1 0 263.385 2.299 10 0 CEAERO CC(C)C[C@@H](C[NH3+])c1nc(Cc2ccncc2)no1 ZINC000094704446 184843897 /nfs/dbraw/zinc/84/38/97/184843897.db2.gz VPERLYAXWGTJFH-LBPRGKRZSA-N 1 0 260.341 2.144 10 0 CEAERO COc1ncccc1Cn1ccc([C@H]([NH3+])C2CC2)c1 ZINC000095009741 184914175 /nfs/dbraw/zinc/91/41/75/184914175.db2.gz DUHJKCFTGSYRQL-CQSZACIVSA-N 1 0 257.337 2.350 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@H](C)CN1Cc1cccnc1OC ZINC000095011274 184915636 /nfs/dbraw/zinc/91/56/36/184915636.db2.gz PPPLMQYVTZHBEP-GXTWGEPZSA-N 1 0 263.385 2.053 10 0 CEAERO Cc1cnc(OCC[C@@H]2CCC[NH2+]C2)nc1Cl ZINC000095069356 184931226 /nfs/dbraw/zinc/93/12/26/184931226.db2.gz QAYLIPRTMQGVMQ-JTQLQIEISA-N 1 0 255.749 2.207 10 0 CEAERO COCC[C@@](C)(C[NH3+])Nc1cc(OC)ccc1F ZINC000094858046 184882789 /nfs/dbraw/zinc/88/27/89/184882789.db2.gz DVCOZNHQJWPCFO-ZDUSSCGKSA-N 1 0 256.321 2.000 10 0 CEAERO CNC(=O)NC(=O)[C@H](C)[NH2+]CC1(CC(C)C)CCCC1 ZINC000094879076 184886278 /nfs/dbraw/zinc/88/62/78/184886278.db2.gz PNIWYIJYNUBFHP-LBPRGKRZSA-N 1 0 283.416 2.027 10 0 CEAERO CCc1ccsc1CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000094877148 184886586 /nfs/dbraw/zinc/88/65/86/184886586.db2.gz DLJBYUVNHWBWTC-ZDUSSCGKSA-N 1 0 252.383 2.069 10 0 CEAERO CN(c1ncnc2c1CCCCC2)[C@H]1CCC[C@@H]1C[NH3+] ZINC000094888216 184887820 /nfs/dbraw/zinc/88/78/20/184887820.db2.gz QOEHXISKMRRFBW-DOMZBBRYSA-N 1 0 274.412 2.309 10 0 CEAERO CC[C@@H](c1noc(C2(C)CCCC2)n1)N1CC[NH2+]CC1 ZINC000094908532 184891328 /nfs/dbraw/zinc/89/13/28/184891328.db2.gz OKGKRAXXTWGZLQ-LBPRGKRZSA-N 1 0 278.400 2.258 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1cnn(C)c1)N(CC)Cc1ccccn1 ZINC000094911117 184891341 /nfs/dbraw/zinc/89/13/41/184891341.db2.gz PNMWBWSZOIZYER-HOTGVXAUSA-N 1 0 287.411 2.116 10 0 CEAERO CCC[NH+]1CCN(C(=O)c2ccc(C)cc2NC)CC1 ZINC000094919212 184893009 /nfs/dbraw/zinc/89/30/09/184893009.db2.gz MUOONYVCMUENFE-UHFFFAOYSA-N 1 0 275.396 2.205 10 0 CEAERO CCCS(=O)(=O)c1ccccc1N[C@@H](C)CCC[NH3+] ZINC000094948142 184901523 /nfs/dbraw/zinc/90/15/23/184901523.db2.gz BKSBAWGOCDVNMV-LBPRGKRZSA-N 1 0 284.425 2.410 10 0 CEAERO C[C@@H](Nc1ccc(N2CCCC2)nc1)[C@@H]1CC[NH2+]C1 ZINC000400534021 533554724 /nfs/dbraw/zinc/55/47/24/533554724.db2.gz SNTRSHWNVZYLBG-CHWSQXEVSA-N 1 0 260.385 2.092 10 0 CEAERO C[C@H]1OCCC[C@H]1C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000190687870 130134025 /nfs/dbraw/zinc/13/40/25/130134025.db2.gz QUXIHNOGEYMKRE-GDBMZVCRSA-N 1 0 290.407 2.396 10 0 CEAERO CC(C)(C)OC(=O)N1C[C@H](C(F)(F)F)C[C@H]([NH3+])C1 ZINC000238123943 131078156 /nfs/dbraw/zinc/07/81/56/131078156.db2.gz MTUOZRYHCWOEFS-SFYZADRCSA-N 1 0 268.279 2.133 10 0 CEAERO C[C@H]([NH3+])C(=O)N[C@H](CCc1ccccc1)C(F)(F)F ZINC000262098443 131191100 /nfs/dbraw/zinc/19/11/00/131191100.db2.gz CILQTNHEJNKYDM-GXSJLCMTSA-N 1 0 274.286 2.014 10 0 CEAERO Nc1cc(N2CCN(c3ccc(F)cc3)CC2)cc[nH+]1 ZINC000076414543 134488301 /nfs/dbraw/zinc/48/83/01/134488301.db2.gz PTBFCPDJTJPKNC-UHFFFAOYSA-N 1 0 272.327 2.130 10 0 CEAERO c1cnc(N2CCC([NH2+][C@H]3C[C@H]4CC[C@@H]3C4)CC2)nc1 ZINC000041092400 134877192 /nfs/dbraw/zinc/87/71/92/134877192.db2.gz DMFNLCJNXICTEG-GUTXKFCHSA-N 1 0 272.396 2.224 10 0 CEAERO [NH2+]=C(Nc1ccccc1)N1CCN(c2ccccn2)CC1 ZINC000052045115 134923946 /nfs/dbraw/zinc/92/39/46/134923946.db2.gz PNKBYDCKYUGRRR-UHFFFAOYSA-N 1 0 281.363 2.250 10 0 CEAERO CC[NH2+]C[C@@H]1CCCCN1c1cncc(OC(C)C)n1 ZINC000071176875 134960045 /nfs/dbraw/zinc/96/00/45/134960045.db2.gz UBOTUIIMNHWORV-ZDUSSCGKSA-N 1 0 278.400 2.232 10 0 CEAERO C[C@@H]1C[NH2+]CCN1c1ccc(Br)cc1F ZINC000083086663 135014084 /nfs/dbraw/zinc/01/40/84/135014084.db2.gz XDHFPYZULZXDQG-MRVPVSSYSA-N 1 0 273.149 2.386 10 0 CEAERO CC[C@H]1C[NH2+]CCN1c1ccc(C(F)(F)F)nc1 ZINC000083431696 135021040 /nfs/dbraw/zinc/02/10/40/135021040.db2.gz OSCWWSWKAAFTNT-VIFPVBQESA-N 1 0 259.275 2.289 10 0 CEAERO Fc1cc(Br)cc(F)c1N1CC[NH2+]CC1 ZINC000083550488 135029553 /nfs/dbraw/zinc/02/95/53/135029553.db2.gz OIWZLWZDYUKFPF-UHFFFAOYSA-N 1 0 277.112 2.137 10 0 CEAERO Cc1ccc2c(c1)CCCN2C[C@H](CO)[NH2+]C(C)C ZINC000085216471 135035575 /nfs/dbraw/zinc/03/55/75/135035575.db2.gz RENXBQHSNBTUIE-OAHLLOKOSA-N 1 0 262.397 2.107 10 0 CEAERO C[C@@]1(c2ccccc2)CN(c2cccnc2)CC[NH2+]1 ZINC000086122157 135038719 /nfs/dbraw/zinc/03/87/19/135038719.db2.gz NMKKPDICFFLKFE-INIZCTEOSA-N 1 0 253.349 2.407 10 0 CEAERO Fc1cc(N2CC[NH2+][C@H](C3CC3)C2)cc(F)c1F ZINC000086147925 135039184 /nfs/dbraw/zinc/03/91/84/135039184.db2.gz XZBXPNYVRYAFCN-LBPRGKRZSA-N 1 0 256.271 2.292 10 0 CEAERO C[C@H]1CCC[C@@]1(C[NH3+])N1CCN(c2ccc(F)cc2)CC1 ZINC000086676385 135048498 /nfs/dbraw/zinc/04/84/98/135048498.db2.gz TZJHAZKQNNNIDU-YOEHRIQHSA-N 1 0 291.414 2.465 10 0 CEAERO CC(C)(C)[NH+]1CCN(c2ncnc3cc(N)ccc32)CC1 ZINC000087820344 135051291 /nfs/dbraw/zinc/05/12/91/135051291.db2.gz PICGCPYVXNWLOP-UHFFFAOYSA-N 1 0 285.395 2.133 10 0 CEAERO NNc1cccc(N2CCC[C@@H](C(F)(F)F)C2)[nH+]1 ZINC000087889297 135051997 /nfs/dbraw/zinc/05/19/97/135051997.db2.gz GHWWODPFYKNIPQ-MRVPVSSYSA-N 1 0 260.263 2.146 10 0 CEAERO CSc1nc(N2C[C@H](C)CC[C@@H]2C)cc(NN)[nH+]1 ZINC000087889640 135052131 /nfs/dbraw/zinc/05/21/31/135052131.db2.gz JANZRTXQWNWDLL-BDAKNGLRSA-N 1 0 267.402 2.109 10 0 CEAERO NC(=[NH2+])c1cccnc1N1CCC(C(F)(F)F)CC1 ZINC000088421446 135054782 /nfs/dbraw/zinc/05/47/82/135054782.db2.gz LMVWJNXOBRPVKE-UHFFFAOYSA-N 1 0 272.274 2.144 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1nccs1 ZINC000089732673 135060393 /nfs/dbraw/zinc/06/03/93/135060393.db2.gz KBUWNVHKSSUXBF-NWDGAFQWSA-N 1 0 289.408 2.253 10 0 CEAERO C[C@@H]([NH3+])CSCC(=O)N1CCSc2ccccc21 ZINC000090344035 135063090 /nfs/dbraw/zinc/06/30/90/135063090.db2.gz OVDOFAIXORUMBJ-SNVBAGLBSA-N 1 0 282.434 2.206 10 0 CEAERO CCCOc1cc(N2CCCC[C@H]2C[NH2+]CC)ncn1 ZINC000090785459 135064825 /nfs/dbraw/zinc/06/48/25/135064825.db2.gz SNJVKFOJPCEVTB-ZDUSSCGKSA-N 1 0 278.400 2.234 10 0 CEAERO CC(C)Oc1cc(N2CCCC[C@H]2C[NH2+]C2CC2)ncn1 ZINC000090786396 135065143 /nfs/dbraw/zinc/06/51/43/135065143.db2.gz UDXGOGBSOAMTPP-AWEZNQCLSA-N 1 0 290.411 2.375 10 0 CEAERO CCOc1ncnc(N2CCC([C@H]3CCC[NH2+]3)CC2)c1C ZINC000090789619 135065577 /nfs/dbraw/zinc/06/55/77/135065577.db2.gz VNYDYHHDOLHLNC-CQSZACIVSA-N 1 0 290.411 2.152 10 0 CEAERO C[C@H]1CCN(c2cc(C(F)(F)F)ccn2)C[C@@H]1[NH3+] ZINC000090804005 135065875 /nfs/dbraw/zinc/06/58/75/135065875.db2.gz OEHCZPZZHKNPFB-WPRPVWTQSA-N 1 0 259.275 2.274 10 0 CEAERO CCOc1cc(N2CCC[C@@H]([NH+](C)C)C2)ccc1N ZINC000091391750 135068262 /nfs/dbraw/zinc/06/82/62/135068262.db2.gz SXZXNRBTUWVNQF-CYBMUJFWSA-N 1 0 263.385 2.198 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(c2cc(CO)c3ccccc3n2)C1 ZINC000091392425 135068438 /nfs/dbraw/zinc/06/84/38/135068438.db2.gz MVKRQCWSYCZNQT-CQSZACIVSA-N 1 0 285.391 2.258 10 0 CEAERO C[C@H](O)c1cc(F)ccc1N1CCC[C@H]([NH+](C)C)C1 ZINC000091394779 135068983 /nfs/dbraw/zinc/06/89/83/135068983.db2.gz DCJWCKPXTZKKBK-AAEUAGOBSA-N 1 0 266.360 2.409 10 0 CEAERO Nc1cc[nH+]c(CN2c3ccccc3CCC2=O)c1 ZINC000092419532 135076084 /nfs/dbraw/zinc/07/60/84/135076084.db2.gz WBDIJSHLHWOIHJ-UHFFFAOYSA-N 1 0 253.305 2.143 10 0 CEAERO Cc1cccc(N2CCN(C[C@H]3CC[NH2+][C@@H]3C)CC2)c1C ZINC000092957717 135077636 /nfs/dbraw/zinc/07/76/36/135077636.db2.gz TYMHCPRIEAWBAK-IAGOWNOFSA-N 1 0 287.451 2.423 10 0 CEAERO CC(C)(C)[NH+]1CCN(c2cccc(F)c2C(N)=S)CC1 ZINC000093407232 135080766 /nfs/dbraw/zinc/08/07/66/135080766.db2.gz QWPOKOIEJDYCNJ-UHFFFAOYSA-N 1 0 295.427 2.380 10 0 CEAERO C[C@@H](C[C@H]1CCC[NH2+]1)Nc1ccc(N2CCOCC2)cc1 ZINC000093462721 135080814 /nfs/dbraw/zinc/08/08/14/135080814.db2.gz NUHRZYJHRFXLTA-GOEBONIOSA-N 1 0 289.423 2.466 10 0 CEAERO C[C@H]1CSCCN1c1cccc(F)c1C(N)=[NH2+] ZINC000093408976 135080842 /nfs/dbraw/zinc/08/08/42/135080842.db2.gz OZDJIHVSAIPFBC-QMMMGPOBSA-N 1 0 253.346 2.051 10 0 CEAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ccc(Cl)c(CO)n1 ZINC000094440238 135087916 /nfs/dbraw/zinc/08/79/16/135087916.db2.gz XUYYTABMAXJQEV-NWDGAFQWSA-N 1 0 295.814 2.290 10 0 CEAERO COC(=O)c1cccnc1C[N@@H+]1CCC[C@@H]1C(C)C ZINC000302472348 292027688 /nfs/dbraw/zinc/02/76/88/292027688.db2.gz ZOFHECRMAUQZQH-CQSZACIVSA-N 1 0 262.353 2.489 10 0 CEAERO Cc1ccc([C@@H](C)[NH2+]CCN2CCOCC2)c(C)c1 ZINC000019954594 394470571 /nfs/dbraw/zinc/47/05/71/394470571.db2.gz MPIDJMIDNXNHLD-OAHLLOKOSA-N 1 0 262.397 2.286 10 0 CEAERO CC[N@H+](C)[C@H]1CCN(c2ncnc3c(C)cccc32)C1 ZINC000302777700 394477047 /nfs/dbraw/zinc/47/70/47/394477047.db2.gz 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O[C@]12CCCC[C@H]1C[N@H+](CCC[C@@H]1CCOC1)CC2 ZINC000400538126 395252935 /nfs/dbraw/zinc/25/29/35/395252935.db2.gz KIQDROIXBFHDNB-PMPSAXMXSA-N 1 0 267.413 2.430 10 0 CEAERO CCOC(=O)CN(CC)CC[N@H+](C)Cc1ccc(F)cc1 ZINC000186776252 395294580 /nfs/dbraw/zinc/29/45/80/395294580.db2.gz QTJYBCOTBNOOGC-UHFFFAOYSA-N 1 0 296.386 2.143 10 0 CEAERO COc1c(C)cnc(C[N@@H+]2CCC[C@H](O)[C@H]2C)c1C ZINC000295822986 395302684 /nfs/dbraw/zinc/30/26/84/395302684.db2.gz CAKAYZVVKDHGLZ-OCCSQVGLSA-N 1 0 264.369 2.052 10 0 CEAERO CCOC(=O)C1CCC(O)(C[N@@H+]2CC[C@@H](C)[C@@H]2C)CC1 ZINC000190925516 395345015 /nfs/dbraw/zinc/34/50/15/395345015.db2.gz FCZRAIMXNOQWTB-NNNQGMHWSA-N 1 0 283.412 2.201 10 0 CEAERO CCC[C@@]1(COC)CCC[N@@H+]1Cc1nnnn1C(C)C ZINC000194946071 395455178 /nfs/dbraw/zinc/45/51/78/395455178.db2.gz KHOMMJUEMHXOIT-AWEZNQCLSA-N 1 0 281.404 2.035 10 0 CEAERO CCCCOC[C@H](O)C[N@H+](C)C(C1CC1)C1CC1 ZINC000195173496 395460697 /nfs/dbraw/zinc/46/06/97/395460697.db2.gz FXWJZGUSLXCZDH-CQSZACIVSA-N 1 0 255.402 2.284 10 0 CEAERO CCCCOC[C@@H](O)C[N@@H+]1CCS[C@H](C(C)C)C1 ZINC000195180152 395461388 /nfs/dbraw/zinc/46/13/88/395461388.db2.gz HYGWHVMLUOUMSP-KBPBESRZSA-N 1 0 275.458 2.237 10 0 CEAERO O=C(Cc1ccc2c(c1)CCCC2)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195317409 395464246 /nfs/dbraw/zinc/46/42/46/395464246.db2.gz NAXDYLKRHMAUOH-GOSISDBHSA-N 1 0 298.430 2.415 10 0 CEAERO CC(C)(C[N@@H+]1CC[C@H]2OCCN[C@H]2C1)c1ccccc1 ZINC000647541089 395730403 /nfs/dbraw/zinc/73/04/03/395730403.db2.gz ZUEYKVPEELSRCZ-JKSUJKDBSA-N 1 0 274.408 2.027 10 0 CEAERO O=C([C@H]1C[C@H](F)C[NH2+]1)N1CCC(C2CCCC2)CC1 ZINC000648095376 395835737 /nfs/dbraw/zinc/83/57/37/395835737.db2.gz GENMXEOSGZYTCJ-UONOGXRCSA-N 1 0 268.376 2.115 10 0 CEAERO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000646092598 396289447 /nfs/dbraw/zinc/28/94/47/396289447.db2.gz FBGAIBXVWOWAJM-QSLWVIQJSA-N 1 0 252.402 2.458 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)c1cc(Cl)c2ccccc2n1 ZINC000647032360 396405502 /nfs/dbraw/zinc/40/55/02/396405502.db2.gz FYYWSBLCZIBAAH-VIFPVBQESA-N 1 0 277.755 2.226 10 0 CEAERO C[NH+](C)C[C@@H](NC(=O)NCc1ccncc1)c1ccccc1 ZINC000047596712 400179856 /nfs/dbraw/zinc/17/98/56/400179856.db2.gz NNNXWLSLFKIYRD-MRXNPFEDSA-N 1 0 298.390 2.184 10 0 CEAERO CCS(=O)(=O)c1ccccc1NC[C@H]1CCCC[NH2+]1 ZINC000044493536 400145548 /nfs/dbraw/zinc/14/55/48/400145548.db2.gz QUMSIHUEAOCTBG-GFCCVEGCSA-N 1 0 282.409 2.034 10 0 CEAERO Cc1sc([C@@H]([NH3+])CCO)cc1Br ZINC000217656820 400307836 /nfs/dbraw/zinc/30/78/36/400307836.db2.gz FVZUCCREOXZTGJ-ZETCQYMHSA-N 1 0 250.161 2.201 10 0 CEAERO O[C@@H]1CCC[C@H](C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)C1 ZINC000385294390 400521994 /nfs/dbraw/zinc/52/19/94/400521994.db2.gz QFMLICMZYWCZHM-GBJTYRQASA-N 1 0 253.386 2.181 10 0 CEAERO COC(=O)[C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000498051137 400600852 /nfs/dbraw/zinc/60/08/52/400600852.db2.gz WAYVGJGLPDTNGF-QDMKHBRRSA-N 1 0 259.349 2.318 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)N[C@@H]2CCCCC2(C)C)C1 ZINC000157177318 289209142 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ZINC000191481572 153176990 /nfs/dbraw/zinc/17/69/90/153176990.db2.gz YTGWPMWCYKOWMI-UHFFFAOYSA-N 1 0 271.364 2.347 10 0 CEAERO C[C@@H]1C[C@@H]1NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194432608 153257566 /nfs/dbraw/zinc/25/75/66/153257566.db2.gz KPGRUFWZZMDSHI-KBMXLJTQSA-N 1 0 287.407 2.216 10 0 CEAERO CCOC(=O)[C@]1(C(C)C)CC[N@H+](C[C@](C)(O)CC)C1 ZINC000194851982 153265710 /nfs/dbraw/zinc/26/57/10/153265710.db2.gz HYWNGXQJJHWRKX-HUUCEWRRSA-N 1 0 271.401 2.059 10 0 CEAERO Cc1cccc(OCC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000195094230 153278016 /nfs/dbraw/zinc/27/80/16/153278016.db2.gz PLJVBHODRJMJJU-OAHLLOKOSA-N 1 0 288.391 2.071 10 0 CEAERO C(C[NH2+][C@@H]1C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21)CN1CCOCC1 ZINC000216277354 153297450 /nfs/dbraw/zinc/29/74/50/153297450.db2.gz STBIXJIIFAVTOP-ZHCJQAHYSA-N 1 0 278.440 2.123 10 0 CEAERO OCC[C@@H]1CC[N@H+](CCOc2ccc(Cl)cc2)C1 ZINC000227569012 153348072 /nfs/dbraw/zinc/34/80/72/153348072.db2.gz CDKJVHZZFROEDU-LBPRGKRZSA-N 1 0 269.772 2.423 10 0 CEAERO CCC(CC)NC(=O)[C@@H](C)N[C@@H](C)c1ncc(C)o1 ZINC000230646082 153392668 /nfs/dbraw/zinc/39/26/68/153392668.db2.gz OKKVKQMCQYAJSB-MNOVXSKESA-N 1 0 267.373 2.327 10 0 CEAERO Cc1cnc([C@H](C)NC[C@H](O)COCc2cccs2)o1 ZINC000230642541 153394895 /nfs/dbraw/zinc/39/48/95/153394895.db2.gz MFIOABRCWMQRBH-RYUDHWBXSA-N 1 0 296.392 2.273 10 0 CEAERO Cc1ccc(Br)c(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000235652400 153440241 /nfs/dbraw/zinc/44/02/41/153440241.db2.gz VVEHAXBUBJOKGL-CABZTGNLSA-N 1 0 297.196 2.177 10 0 CEAERO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCCO[C@H]1C ZINC000248954268 153672077 /nfs/dbraw/zinc/67/20/77/153672077.db2.gz LDHCAJZSIANPMM-SOUVJXGZSA-N 1 0 282.428 2.182 10 0 CEAERO C[C@H](CNC(=O)[C@@H]1CCCO[C@H]1C)[NH+]1CCC(C)CC1 ZINC000251257726 153725022 /nfs/dbraw/zinc/72/50/22/153725022.db2.gz YKDSZKQTUYGWLW-QLFBSQMISA-N 1 0 282.428 2.038 10 0 CEAERO CC[C@H](C)c1ccc(S(=O)(=O)NC[C@@H](C)[NH2+]C)cc1 ZINC000261574780 153767214 /nfs/dbraw/zinc/76/72/14/153767214.db2.gz XVFDUUDOMJBKTN-NWDGAFQWSA-N 1 0 284.425 2.086 10 0 CEAERO COC[C@]1(CNc2ccc(C(F)(F)F)cn2)CCC[NH2+]1 ZINC000261732434 153820838 /nfs/dbraw/zinc/82/08/38/153820838.db2.gz LIZQEDJMUODPRF-GFCCVEGCSA-N 1 0 289.301 2.281 10 0 CEAERO CCOc1ccc(CC(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261772059 153835428 /nfs/dbraw/zinc/83/54/28/153835428.db2.gz FSEKCOSLHFMHDI-HNNXBMFYSA-N 1 0 290.407 2.214 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)[C@]1(C)CCCc2ccccc21 ZINC000261851680 153860011 /nfs/dbraw/zinc/86/00/11/153860011.db2.gz XJUAPFINZNGYOO-BLLLJJGKSA-N 1 0 260.381 2.005 10 0 CEAERO COc1cccc([C@H](C)C(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])c1 ZINC000261905368 153868952 /nfs/dbraw/zinc/86/89/52/153868952.db2.gz WUBCMCDIQJGNNG-VNHYZAJKSA-N 1 0 290.407 2.385 10 0 CEAERO [NH3+]CC1(C(=O)NCc2ccc3ccccc3c2)CCOCC1 ZINC000261919784 153874214 /nfs/dbraw/zinc/87/42/14/153874214.db2.gz KFOZKPIQUCBYFR-UHFFFAOYSA-N 1 0 298.386 2.212 10 0 CEAERO CC(C)(CNC(=O)c1ccc(N)cc1)[NH+]1CCCCC1 ZINC000262270622 153935901 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CC(C)[C@@H]1CC[C@H]1[NH2+]C1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263514941 154113032 /nfs/dbraw/zinc/11/30/32/154113032.db2.gz OJWQZTWLDDLZQH-SSHXOBKSSA-N 1 0 294.439 2.338 10 0 CEAERO COCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400478434 292363638 /nfs/dbraw/zinc/36/36/38/292363638.db2.gz VPTSWONLJAQWQY-CHWSQXEVSA-N 1 0 286.416 2.258 10 0 CEAERO Cc1cccc([C@H](C)[NH2+][C@H](C)CS(C)(=O)=O)c1 ZINC000160204798 162326336 /nfs/dbraw/zinc/32/63/36/162326336.db2.gz ZCJMJLFJMKCWBK-NEPJUHHUSA-N 1 0 255.383 2.079 10 0 CEAERO C[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1Cc1ccc(CO)cc1 ZINC000168739383 162370512 /nfs/dbraw/zinc/37/05/12/162370512.db2.gz HZOAKYXXHFXCCS-RHSMWYFYSA-N 1 0 274.408 2.238 10 0 CEAERO C[C@@H](C(=O)N1CCS[C@H](C)C1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000170901291 162373579 /nfs/dbraw/zinc/37/35/79/162373579.db2.gz TUJOTIZATCPIDB-RVMXOQNASA-N 1 0 270.442 2.212 10 0 CEAERO Fc1cccc(OCC[N@@H+]2CCC[C@H](n3cncn3)C2)c1 ZINC000171705742 162387959 /nfs/dbraw/zinc/38/79/59/162387959.db2.gz FNPVTOZAJFBZRW-AWEZNQCLSA-N 1 0 290.342 2.133 10 0 CEAERO C[C@@H](Cc1ccccc1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171822392 162390500 /nfs/dbraw/zinc/39/05/00/162390500.db2.gz CQPHDNGKQHPXDH-GOEBONIOSA-N 1 0 272.392 2.172 10 0 CEAERO CCn1cnnc1[C@H]1CCC[N@H+](C[Si](C)(C)C)C1 ZINC000171736222 162391065 /nfs/dbraw/zinc/39/10/65/162391065.db2.gz WHISOVPHPDGHLS-LBPRGKRZSA-N 1 0 266.465 2.355 10 0 CEAERO CC(C)NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000172024197 162397144 /nfs/dbraw/zinc/39/71/44/162397144.db2.gz CAHXGSKEGMSCNT-GFCCVEGCSA-N 1 0 250.342 2.331 10 0 CEAERO C[NH2+][C@@H]1CCCN(c2cncc(Br)c2)C1 ZINC000261530924 162541745 /nfs/dbraw/zinc/54/17/45/162541745.db2.gz DNDXBGNXRWREMG-SNVBAGLBSA-N 1 0 270.174 2.032 10 0 CEAERO C[C@@H]([NH2+]CC1(C)COC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400418524 287016947 /nfs/dbraw/zinc/01/69/47/287016947.db2.gz VZYWJJAWJDISKX-OLZOCXBDSA-N 1 0 298.427 2.258 10 0 CEAERO [NH3+]C1CCC(Nc2ccc(C(F)(F)F)nn2)CC1 ZINC000167053329 165036011 /nfs/dbraw/zinc/03/60/11/165036011.db2.gz VJRQNGZZKZPULY-UHFFFAOYSA-N 1 0 260.263 2.177 10 0 CEAERO CC[NH+](CC)CC(=O)N1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000173753735 165083273 /nfs/dbraw/zinc/08/32/73/165083273.db2.gz MZHGLPJWPIDEIV-GFCCVEGCSA-N 1 0 294.399 2.198 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H](C)CSC ZINC000174976310 165121768 /nfs/dbraw/zinc/12/17/68/165121768.db2.gz YJSUWMIUOWILKA-YNEHKIRRSA-N 1 0 270.442 2.071 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc(C2CC2)no1 ZINC000175034098 165123997 /nfs/dbraw/zinc/12/39/97/165123997.db2.gz GEOSEDHESDAVCQ-QWHCGFSZSA-N 1 0 276.384 2.006 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)COCc1ccccc1 ZINC000176997733 165179827 /nfs/dbraw/zinc/17/98/27/165179827.db2.gz NYCAPCOBAZHUQX-INIZCTEOSA-N 1 0 290.407 2.146 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(C)oc1C ZINC000176975694 165180001 /nfs/dbraw/zinc/18/00/01/165180001.db2.gz PWUHBZVNGWOOLC-CYBMUJFWSA-N 1 0 264.369 2.453 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccoc1C ZINC000176977523 165180190 /nfs/dbraw/zinc/18/01/90/165180190.db2.gz OPEMHARFGWJWMV-GFCCVEGCSA-N 1 0 250.342 2.144 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000177696031 165207177 /nfs/dbraw/zinc/20/71/77/165207177.db2.gz QAJNZTNPNIFCET-HOTGVXAUSA-N 1 0 297.487 2.436 10 0 CEAERO Cc1cc(C)c(OCC(=O)N[C@H]2CCC[C@@H]2C[NH3+])c(C)c1 ZINC000178152170 165222910 /nfs/dbraw/zinc/22/29/10/165222910.db2.gz NYJQXOPYHSPSNP-CABCVRRESA-N 1 0 290.407 2.234 10 0 CEAERO Cc1cccc(CSCC(=O)NCC[C@@H](C)[NH3+])c1 ZINC000178661567 165253177 /nfs/dbraw/zinc/25/31/77/165253177.db2.gz UWQXTPBXQBFNAQ-GFCCVEGCSA-N 1 0 266.410 2.082 10 0 CEAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CC1=CCCOC1 ZINC000180131244 165301146 /nfs/dbraw/zinc/30/11/46/165301146.db2.gz DZKDBXCUHSWJMA-OAHLLOKOSA-N 1 0 261.369 2.003 10 0 CEAERO CC[C@@H]1C[C@H](C(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)CCO1 ZINC000180346792 165304943 /nfs/dbraw/zinc/30/49/43/165304943.db2.gz RKGSRNGIZNFULK-QLFBSQMISA-N 1 0 282.428 2.134 10 0 CEAERO CC[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cccs1 ZINC000180579551 165313851 /nfs/dbraw/zinc/31/38/51/165313851.db2.gz RNHATTVCNPDYHZ-MNOVXSKESA-N 1 0 262.382 2.395 10 0 CEAERO CCCn1c(C)nnc1CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000180848080 165321806 /nfs/dbraw/zinc/32/18/06/165321806.db2.gz ZXWZGJFYYHLPPS-GJZGRUSLSA-N 1 0 291.443 2.055 10 0 CEAERO CCc1nccn1[C@@H]1CCC[N@H+](C[C@@H](C)OC)C1 ZINC000182148005 165366380 /nfs/dbraw/zinc/36/63/80/165366380.db2.gz QUJJLGVHAQXEFG-CHWSQXEVSA-N 1 0 251.374 2.117 10 0 CEAERO CC[NH+](CC)CCOc1ccc(C(=O)OC)cc1 ZINC000002026560 169769141 /nfs/dbraw/zinc/76/91/41/169769141.db2.gz OCHYTARYRUQPFW-UHFFFAOYSA-N 1 0 251.326 2.194 10 0 CEAERO CCCc1ccc(OCC(=O)NCC[NH+](CC)CC)cc1 ZINC000005432270 170099061 /nfs/dbraw/zinc/09/90/61/170099061.db2.gz NCAYBXACUFCZKX-UHFFFAOYSA-N 1 0 292.423 2.476 10 0 CEAERO [NH3+]C[C@@H](c1ccccc1F)S(=O)(=O)c1ccccc1 ZINC000008031218 170315116 /nfs/dbraw/zinc/31/51/16/170315116.db2.gz BUIKMDDTWFNSAK-AWEZNQCLSA-N 1 0 279.336 2.299 10 0 CEAERO CC[C@H]([NH3+])c1ccccc1OCC(=O)N(CC)CC ZINC000019257240 170759918 /nfs/dbraw/zinc/75/99/18/170759918.db2.gz RXRODDNTJOLNKH-ZDUSSCGKSA-N 1 0 264.369 2.344 10 0 CEAERO O=C(Nc1cccc2cccnc21)[C@H]1CCC[NH2+]C1 ZINC000019412565 170790375 /nfs/dbraw/zinc/79/03/75/170790375.db2.gz AOTRNFKZNBFMPP-LBPRGKRZSA-N 1 0 255.321 2.173 10 0 CEAERO COc1cccc(C[C@@H]([NH3+])c2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000019842839 170891221 /nfs/dbraw/zinc/89/12/21/170891221.db2.gz IQGXJYYHYMGZHD-CYBMUJFWSA-N 1 0 283.331 2.107 10 0 CEAERO CN(CC[C@H]1CCCC[NH2+]1)C(=O)c1ccccc1F ZINC000019843753 170891897 /nfs/dbraw/zinc/89/18/97/170891897.db2.gz SPOAWVZEYMMBPP-GFCCVEGCSA-N 1 0 264.344 2.430 10 0 CEAERO CCCCCOc1ccc(C[NH2+]CCNC(C)=O)cc1 ZINC000020185058 171048009 /nfs/dbraw/zinc/04/80/09/171048009.db2.gz POQKDIQRZMPUAR-UHFFFAOYSA-N 1 0 278.396 2.481 10 0 CEAERO O=C(C[NH2+]Cc1ccc(Cl)cc1)N1CCCCC1 ZINC000020210114 171074355 /nfs/dbraw/zinc/07/43/55/171074355.db2.gz KCCABAHMSVJHAT-UHFFFAOYSA-N 1 0 266.772 2.442 10 0 CEAERO COc1ccc(CC(=O)Nc2ccc(CC[NH3+])cc2)cc1 ZINC000020224420 171087115 /nfs/dbraw/zinc/08/71/15/171087115.db2.gz ZUZSZMMXMPTIDW-UHFFFAOYSA-N 1 0 284.359 2.378 10 0 CEAERO Cc1cccc(S(=O)(=O)Nc2ccc(CC[NH3+])cc2)c1 ZINC000020224456 171087236 /nfs/dbraw/zinc/08/72/36/171087236.db2.gz FLENCADYBZNBGO-UHFFFAOYSA-N 1 0 290.388 2.297 10 0 CEAERO COc1cccc(N(CCC[NH3+])C(=O)C(C)C)c1 ZINC000020233632 171095214 /nfs/dbraw/zinc/09/52/14/171095214.db2.gz XASRFNUIWJOZDE-UHFFFAOYSA-N 1 0 250.342 2.033 10 0 CEAERO Cc1ccc([C@@H](C[NH3+])N2CCSCC2)c(C)c1 ZINC000020257014 171111409 /nfs/dbraw/zinc/11/14/09/171111409.db2.gz KSWIUPGVFLWITC-CQSZACIVSA-N 1 0 250.411 2.352 10 0 CEAERO CN1CC[NH2+]C[C@@H]1c1cccc(Br)c1 ZINC000020268358 171124327 /nfs/dbraw/zinc/12/43/27/171124327.db2.gz NGUGKBBVKCAPOC-LLVKDONJSA-N 1 0 255.159 2.025 10 0 CEAERO [NH3+]CCCc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000020269719 171125532 /nfs/dbraw/zinc/12/55/32/171125532.db2.gz IXUDXYWIWYBEHC-UHFFFAOYSA-N 1 0 290.388 2.379 10 0 CEAERO CC(C)[NH+](CCN[C@H](C)C(=O)N1CCCCCC1)C(C)C ZINC000020317199 171147925 /nfs/dbraw/zinc/14/79/25/171147925.db2.gz KPIGNFXHFJYOCH-MRXNPFEDSA-N 1 0 297.487 2.486 10 0 CEAERO COc1cc(C[NH2+][C@@H](C)c2cnn(C)c2C)ccc1O ZINC000020352628 171156595 /nfs/dbraw/zinc/15/65/95/171156595.db2.gz AGLLJHFZVNCWFN-JTQLQIEISA-N 1 0 275.352 2.294 10 0 CEAERO CCCCCNC(=O)[C@H](C)NCCC[NH+](CC)CC ZINC000020365715 171164174 /nfs/dbraw/zinc/16/41/74/171164174.db2.gz WMCYTUACJBTOKG-AWEZNQCLSA-N 1 0 271.449 2.003 10 0 CEAERO CCC(CC)NC(=O)[C@H](C)NCCC[NH+](CC)CC ZINC000020365730 171164302 /nfs/dbraw/zinc/16/43/02/171164302.db2.gz JPJCIIVKOQQQPX-ZDUSSCGKSA-N 1 0 271.449 2.001 10 0 CEAERO CCC(CC)NC(=O)[C@H](C)NCC[NH+](C(C)C)C(C)C ZINC000020365913 171164740 /nfs/dbraw/zinc/16/47/40/171164740.db2.gz ZUWMERIVZFSHNY-AWEZNQCLSA-N 1 0 285.476 2.388 10 0 CEAERO [NH3+]CCc1nn2c(nnc2-c2cccc(Cl)c2)s1 ZINC000020391838 171180288 /nfs/dbraw/zinc/18/02/88/171180288.db2.gz DWKWGBWRXZHPPN-UHFFFAOYSA-N 1 0 279.756 2.007 10 0 CEAERO CCCCS(=O)(=O)NC1(C[NH3+])CCCCCCC1 ZINC000020431647 171196730 /nfs/dbraw/zinc/19/67/30/171196730.db2.gz OEDGYJSSCOSROJ-UHFFFAOYSA-N 1 0 276.446 2.148 10 0 CEAERO Cn1cc([C@H]([NH3+])c2cccc(C(F)(F)F)c2)cn1 ZINC000020476892 171220809 /nfs/dbraw/zinc/22/08/09/171220809.db2.gz UGKZCHOSBZBWGM-LLVKDONJSA-N 1 0 255.243 2.487 10 0 CEAERO C[C@@H](OC(C)(C)C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000020508657 171229487 /nfs/dbraw/zinc/22/94/87/171229487.db2.gz BIBASSJJBCUBQU-SNVBAGLBSA-N 1 0 250.342 2.287 10 0 CEAERO NC(=[NH2+])c1ccc(OCC(F)(F)C(F)F)cc1 ZINC000020518248 171233218 /nfs/dbraw/zinc/23/32/18/171233218.db2.gz UHEBNAHLZSQTAP-UHFFFAOYSA-N 1 0 250.195 2.250 10 0 CEAERO CCC1N=NC(=S)N1CC[NH+](C(C)C)C(C)C ZINC000020588915 171260280 /nfs/dbraw/zinc/26/02/80/171260280.db2.gz FSKMYFNVBVEPAA-UHFFFAOYSA-N 1 0 256.419 2.248 10 0 CEAERO C[NH2+]Cc1cc(Cl)ccc1OCC(=O)NC(C)(C)C ZINC000020873473 171277256 /nfs/dbraw/zinc/27/72/56/171277256.db2.gz BJSXMTQDLYIHEM-UHFFFAOYSA-N 1 0 284.787 2.353 10 0 CEAERO Brc1cccc2c(N3CC[NH2+]CC3)nsc21 ZINC000022008808 171348577 /nfs/dbraw/zinc/34/85/77/171348577.db2.gz ZOKJSGJCXAKLBG-UHFFFAOYSA-N 1 0 298.209 2.468 10 0 CEAERO COc1ccc([C@H](C)N2CCC[NH2+]CC2)c(OC)c1 ZINC000022045335 171350494 /nfs/dbraw/zinc/35/04/94/171350494.db2.gz KSVRFAWDDJQQCT-LBPRGKRZSA-N 1 0 264.369 2.060 10 0 CEAERO COc1ccc([C@@H](C)N2CCC[NH2+]CC2)cc1OC ZINC000022049894 171350760 /nfs/dbraw/zinc/35/07/60/171350760.db2.gz ZWKSCGWONBFEEZ-GFCCVEGCSA-N 1 0 264.369 2.060 10 0 CEAERO c1ccc([C@@H](c2ccccn2)N2CCC[NH2+]CC2)cc1 ZINC000022108572 171353104 /nfs/dbraw/zinc/35/31/04/171353104.db2.gz GAGRQQXAFBKXPN-KRWDZBQOSA-N 1 0 267.376 2.466 10 0 CEAERO C[C@@H]([NH2+]CC(N)=O)c1ccc(-c2ccccc2)cc1 ZINC000022148519 171357643 /nfs/dbraw/zinc/35/76/43/171357643.db2.gz ORGDSMOXTPDDRK-GFCCVEGCSA-N 1 0 254.333 2.490 10 0 CEAERO C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(F)c(N)c2)C1 ZINC000022156563 171363074 /nfs/dbraw/zinc/36/30/74/171363074.db2.gz JLQGJDIAWPPQEO-JTQLQIEISA-N 1 0 265.332 2.078 10 0 CEAERO CCc1ccc([C@H](C[NH3+])N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000022161522 171364310 /nfs/dbraw/zinc/36/43/10/171364310.db2.gz LUMMBBHADOSUPE-ZENOOKHLSA-N 1 0 262.397 2.358 10 0 CEAERO CC(C)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1N ZINC000022162770 171364810 /nfs/dbraw/zinc/36/48/10/171364810.db2.gz CWZSJDXWJDTBQX-UHFFFAOYSA-N 1 0 255.749 2.201 10 0 CEAERO Cc1ccccc1OCC(=O)Nc1cccc(C[NH3+])c1 ZINC000022164289 171365372 /nfs/dbraw/zinc/36/53/72/171365372.db2.gz NTRJZXGNIUHDAY-UHFFFAOYSA-N 1 0 270.332 2.471 10 0 CEAERO CC[C@H](C)NC(=O)COc1ccc([C@H](C)[NH3+])cc1OC ZINC000022174997 171369680 /nfs/dbraw/zinc/36/96/80/171369680.db2.gz LWCFQGFPFXLTKZ-QWRGUYRKSA-N 1 0 280.368 2.008 10 0 CEAERO CC[C@@H](C)NC(=O)COc1ccc([C@H](C)[NH3+])cc1OC ZINC000022174994 171369947 /nfs/dbraw/zinc/36/99/47/171369947.db2.gz LWCFQGFPFXLTKZ-MNOVXSKESA-N 1 0 280.368 2.008 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Cl)c(N)c1 ZINC000022211047 171373436 /nfs/dbraw/zinc/37/34/36/171373436.db2.gz MZZTZGBKRIZPPN-LLVKDONJSA-N 1 0 281.787 2.136 10 0 CEAERO C[C@@H](OCC(F)(F)F)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000022215436 171375549 /nfs/dbraw/zinc/37/55/49/171375549.db2.gz ZIBPYTKYUJGKRA-MRVPVSSYSA-N 1 0 276.258 2.051 10 0 CEAERO COc1ccc([C@H]([NH3+])[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000022564521 171391778 /nfs/dbraw/zinc/39/17/78/171391778.db2.gz HWILGWVBEFOAFD-RSUWNVLCSA-N 1 0 278.396 2.193 10 0 CEAERO O[C@H](C[NH2+]C1CCCC1)c1ccc2c(c1)OCCO2 ZINC000032113002 171706029 /nfs/dbraw/zinc/70/60/29/171706029.db2.gz ZXZMXRWRDDATNK-CYBMUJFWSA-N 1 0 263.337 2.023 10 0 CEAERO CC[N@H+](C1CCCCC1)[C@]1(CN)CN2CCC1CC2 ZINC000035221571 172063929 /nfs/dbraw/zinc/06/39/29/172063929.db2.gz UQOZJXOHNPMCQX-MRXNPFEDSA-N 1 0 265.445 2.064 10 0 CEAERO CCCOc1ccc(C[NH3+])c(OCCOCC)c1 ZINC000035413861 172186880 /nfs/dbraw/zinc/18/68/80/172186880.db2.gz WPFGRGLSGCTIBO-UHFFFAOYSA-N 1 0 253.342 2.349 10 0 CEAERO C[NH2+][C@H](c1ccc(OC)cc1OC)[C@H]1CCCO1 ZINC000035489012 172223903 /nfs/dbraw/zinc/22/39/03/172223903.db2.gz NSHIZNZEGLYOGS-TZMCWYRMSA-N 1 0 251.326 2.143 10 0 CEAERO CC[NH2+][C@H](c1ccc2c(c1)OCCO2)[C@H]1CCCO1 ZINC000035545077 172253018 /nfs/dbraw/zinc/25/30/18/172253018.db2.gz UMLQAGABJNMJPQ-UKRRQHHQSA-N 1 0 263.337 2.287 10 0 CEAERO CC[NH2+][C@H](Cc1cccc(OC)c1)c1cnn(C)c1 ZINC000035555852 172261988 /nfs/dbraw/zinc/26/19/88/172261988.db2.gz UPIMUNQOIOJNGL-OAHLLOKOSA-N 1 0 259.353 2.322 10 0 CEAERO COc1ccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2[NH3+])cc1 ZINC000035571711 172267083 /nfs/dbraw/zinc/26/70/83/172267083.db2.gz GFFOEMWZSLZQTP-ZIAGYGMSSA-N 1 0 292.379 2.357 10 0 CEAERO C[C@H](CO)[NH2+][C@@H](c1ccccc1)c1ccc(O)cc1 ZINC000035603256 172291833 /nfs/dbraw/zinc/29/18/33/172291833.db2.gz OIEHASWIADSZES-WBMJQRKESA-N 1 0 257.333 2.452 10 0 CEAERO Cc1nnc(COc2ccc(C)cc2[C@@H](C)[NH3+])n1C ZINC000035696709 172364631 /nfs/dbraw/zinc/36/46/31/172364631.db2.gz WKXBBZMKOHCRDA-SNVBAGLBSA-N 1 0 260.341 2.031 10 0 CEAERO CCC[C@@H]1CC[C@@H](C[NH3+])[C@H](Sc2nncn2C)C1 ZINC000035724117 172379120 /nfs/dbraw/zinc/37/91/20/172379120.db2.gz NKBGIKBCYOPMST-GRYCIOLGSA-N 1 0 268.430 2.451 10 0 CEAERO [NH3+]Cc1cccc(OCCSc2nncs2)c1 ZINC000035724504 172379484 /nfs/dbraw/zinc/37/94/84/172379484.db2.gz KNBBJMALSNBZHA-UHFFFAOYSA-N 1 0 267.379 2.168 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)c1ccco1 ZINC000035738277 172391520 /nfs/dbraw/zinc/39/15/20/172391520.db2.gz WZXTYRHSENRSEH-VOAKCMCISA-N 1 0 262.353 2.378 10 0 CEAERO C[C@@H]1CS(=O)(=O)c2c(Cl)ccc(Cl)c2[C@H]1[NH3+] ZINC000035755723 172396305 /nfs/dbraw/zinc/39/63/05/172396305.db2.gz WFGQKKKDCDCTQF-ANLVUFKYSA-N 1 0 280.176 2.417 10 0 CEAERO CC(C)c1ccc2c(c1)[C@@H]([NH3+])[C@@H](C)CS2(=O)=O ZINC000035755749 172396853 /nfs/dbraw/zinc/39/68/53/172396853.db2.gz UEOUHOVNFXMWJR-ZANVPECISA-N 1 0 253.367 2.233 10 0 CEAERO COc1ccc([C@@H]([NH3+])Cc2nccs2)cc1OC ZINC000036279086 172569871 /nfs/dbraw/zinc/56/98/71/172569871.db2.gz CUIOGDGOZHORPP-JTQLQIEISA-N 1 0 264.350 2.403 10 0 CEAERO C[C@@H]1C[C@@H]([NH2+]C2CCS(=O)(=O)CC2)CC(C)(C)C1 ZINC000036331478 172615921 /nfs/dbraw/zinc/61/59/21/172615921.db2.gz YYBXHFXVOIMQOI-DGCLKSJQSA-N 1 0 273.442 2.368 10 0 CEAERO O=C(C1CC[NH2+]CC1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000036809960 172725890 /nfs/dbraw/zinc/72/58/90/172725890.db2.gz FOPNNSLYFARIJK-TZMCWYRMSA-N 1 0 250.386 2.025 10 0 CEAERO CCCN(CCC)S(=O)(=O)c1ccc(C[NH3+])s1 ZINC000036929400 172810570 /nfs/dbraw/zinc/81/05/70/172810570.db2.gz VSKSEUVTHSEKQO-UHFFFAOYSA-N 1 0 276.427 2.018 10 0 CEAERO COC(=O)c1cc(Cl)ccc1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000037013739 172871922 /nfs/dbraw/zinc/87/19/22/172871922.db2.gz LVLJKVXPLYWCRQ-VIFPVBQESA-N 1 0 296.754 2.065 10 0 CEAERO [NH3+]CCSCc1nnc(-c2ccc(F)cc2)o1 ZINC000037035667 172903749 /nfs/dbraw/zinc/90/37/49/172903749.db2.gz YNWFRYPHFDSFHE-UHFFFAOYSA-N 1 0 253.302 2.068 10 0 CEAERO CSCCC[NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000037163122 172997248 /nfs/dbraw/zinc/99/72/48/172997248.db2.gz SZFLNNOBXCPRMK-VIFPVBQESA-N 1 0 265.382 2.260 10 0 CEAERO COCCc1ccc(O[C@@H](C[NH3+])C(F)(F)F)cc1 ZINC000037170177 173004392 /nfs/dbraw/zinc/00/43/92/173004392.db2.gz VMZJMQJYHVHOBQ-NSHDSACASA-N 1 0 263.259 2.144 10 0 CEAERO [NH3+]CC[C@@H](Sc1nnnn1C1CCCC1)C(F)(F)F ZINC000037179808 173013127 /nfs/dbraw/zinc/01/31/27/173013127.db2.gz CMFOOZLVOUYXAY-MRVPVSSYSA-N 1 0 295.334 2.160 10 0 CEAERO Cc1nn(C)c(C)c1N[C@H](C)[C@H]1CCC[N@H+](C)C1 ZINC000037221032 173040948 /nfs/dbraw/zinc/04/09/48/173040948.db2.gz ONCRVHLKRYDYGT-MFKMUULPSA-N 1 0 250.390 2.179 10 0 CEAERO CCC[NH2+][C@H]1CCN(c2cc(OC)ccc2OC)C1 ZINC000037240726 173057220 /nfs/dbraw/zinc/05/72/20/173057220.db2.gz YDYWLGSSNSABJI-LBPRGKRZSA-N 1 0 264.369 2.282 10 0 CEAERO CC(C)C[C@@H](C)NS(=O)(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000037265490 173074213 /nfs/dbraw/zinc/07/42/13/173074213.db2.gz WGXIMKGXGOEVDJ-NEPJUHHUSA-N 1 0 284.425 2.419 10 0 CEAERO COC1CCN([C@@H](C[NH3+])c2ccc(Cl)cc2)CC1 ZINC000037265899 173074700 /nfs/dbraw/zinc/07/47/00/173074700.db2.gz GPZNJCYYBMVOAF-AWEZNQCLSA-N 1 0 268.788 2.451 10 0 CEAERO CC(C)=CCN1CCC([NH2+][C@H]2CCC[C@@H](O)C2)CC1 ZINC000037321295 173121688 /nfs/dbraw/zinc/12/16/88/173121688.db2.gz BPZAUSMCWRWQQH-JKSUJKDBSA-N 1 0 266.429 2.310 10 0 CEAERO O=C1c2ccccc2C(=O)N1c1cccc2c1CC[NH2+]C2 ZINC000037372926 173162472 /nfs/dbraw/zinc/16/24/72/173162472.db2.gz OTBHJILUORLNAN-UHFFFAOYSA-N 1 0 278.311 2.133 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000037386278 173168499 /nfs/dbraw/zinc/16/84/99/173168499.db2.gz QIVUUOXYEYYCNO-NSHDSACASA-N 1 0 278.352 2.175 10 0 CEAERO C[C@@H]1Cc2ccccc2N1C(=O)C[NH2+]C1CCCC1 ZINC000037387048 173170734 /nfs/dbraw/zinc/17/07/34/173170734.db2.gz JUUZRTILQXCLCW-GFCCVEGCSA-N 1 0 258.365 2.496 10 0 CEAERO COC(C[NH2+]Cc1ccc(Br)s1)OC ZINC000037389171 173172255 /nfs/dbraw/zinc/17/22/55/173172255.db2.gz BLHYNIHAVJQWLE-UHFFFAOYSA-N 1 0 280.187 2.219 10 0 CEAERO C[N@@H+]1CCCN(Cc2cc(N)ccc2Cl)CC1 ZINC000037403076 173179723 /nfs/dbraw/zinc/17/97/23/173179723.db2.gz JOFIZMBYPADAEO-UHFFFAOYSA-N 1 0 253.777 2.060 10 0 CEAERO [NH3+][C@H](C(=O)Nc1ccc2n[nH]cc2c1)c1ccccc1 ZINC000037413796 173190254 /nfs/dbraw/zinc/19/02/54/173190254.db2.gz BHYIWEDYRVIKRP-AWEZNQCLSA-N 1 0 266.304 2.201 10 0 CEAERO CCCn1c2ccc(Cl)cc2nc1[C@H]([NH3+])CO ZINC000037440579 173210237 /nfs/dbraw/zinc/21/02/37/173210237.db2.gz YUHQSNSVHHVOSD-SECBINFHSA-N 1 0 253.733 2.092 10 0 CEAERO CSc1ccc([C@@](C)([NH2+]C(C)C)C(N)=O)cc1 ZINC000037446607 173213307 /nfs/dbraw/zinc/21/33/07/173213307.db2.gz QKKFNEYSYQETKB-CYBMUJFWSA-N 1 0 252.383 2.107 10 0 CEAERO Cc1cc(N2CC[C@H]([NH3+])C2)ccc1Br ZINC000037483396 173228693 /nfs/dbraw/zinc/22/86/93/173228693.db2.gz VHZUCQQPHJTEEE-VIFPVBQESA-N 1 0 255.159 2.295 10 0 CEAERO CN(CCC[NH2+][C@@H]1CCCC[C@@H]1O)c1ccccc1 ZINC000037490945 173232268 /nfs/dbraw/zinc/23/22/68/173232268.db2.gz NFCXAZCIADCOIY-CVEARBPZSA-N 1 0 262.397 2.406 10 0 CEAERO CCN(C(=O)c1ccccc1F)C1CC[NH2+]CC1 ZINC000037537315 173256365 /nfs/dbraw/zinc/25/63/65/173256365.db2.gz FEOMUWHDNLJTNE-UHFFFAOYSA-N 1 0 250.317 2.040 10 0 CEAERO CCN(C(=O)Cc1ccc(C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000037541262 173263380 /nfs/dbraw/zinc/26/33/80/173263380.db2.gz YKPKXLXGKJSOHX-OAHLLOKOSA-N 1 0 260.381 2.138 10 0 CEAERO CN(C(=O)Nc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000037541710 173263743 /nfs/dbraw/zinc/26/37/43/173263743.db2.gz VLNXQUHJMIGRQH-GFCCVEGCSA-N 1 0 251.305 2.041 10 0 CEAERO CCNS(=O)(=O)c1cccc([C@H](CC)[NH2+]CC)c1 ZINC000037682239 173616605 /nfs/dbraw/zinc/61/66/05/173616605.db2.gz ALIQMDLAUHEPQJ-ZDUSSCGKSA-N 1 0 270.398 2.045 10 0 CEAERO Cc1ccc(CN(C)C(=O)C2CC[NH2+]CC2)c(C)c1 ZINC000037805636 173747181 /nfs/dbraw/zinc/74/71/81/173747181.db2.gz FTOIGUICAFKDLQ-UHFFFAOYSA-N 1 0 260.381 2.261 10 0 CEAERO CCCC1CCC(NCC[NH+](C)C)(C(=O)OC)CC1 ZINC000037964634 173908502 /nfs/dbraw/zinc/90/85/02/173908502.db2.gz GLGTYJHEWRENTQ-UHFFFAOYSA-N 1 0 270.417 2.040 10 0 CEAERO CCOc1cc([C@H]([NH2+]C2CCCCC2)C(N)=O)ccc1O ZINC000037969631 173918586 /nfs/dbraw/zinc/91/85/86/173918586.db2.gz SXZRLOSEBAZIQB-HNNXBMFYSA-N 1 0 292.379 2.240 10 0 CEAERO NC(=O)CC[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000038030799 174023559 /nfs/dbraw/zinc/02/35/59/174023559.db2.gz KLNZHIIQADQQTQ-UHFFFAOYSA-N 1 0 260.362 2.380 10 0 CEAERO Cc1ccccc1NC(=O)[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000038042961 174047657 /nfs/dbraw/zinc/04/76/57/174047657.db2.gz XBYDWZITZBBDSJ-INIZCTEOSA-N 1 0 287.407 2.150 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)c1cccc(OC(F)F)c1 ZINC000038048749 174059486 /nfs/dbraw/zinc/05/94/86/174059486.db2.gz GHXJZAOCTQTBLM-RYUDHWBXSA-N 1 0 284.306 2.288 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)Cc1ccccc1Cl ZINC000038049382 174060679 /nfs/dbraw/zinc/06/06/79/174060679.db2.gz RTVSSEHVLZYKFY-QWHCGFSZSA-N 1 0 266.772 2.269 10 0 CEAERO CCOc1ccc([C@](C)([NH2+][C@H](C)CC)C(N)=O)cc1 ZINC000038065532 174075776 /nfs/dbraw/zinc/07/57/76/174075776.db2.gz WQURQEBPGUJGLL-ABAIWWIYSA-N 1 0 264.369 2.174 10 0 CEAERO CC[C@H](C)[NH2+][C@](C)(C(N)=O)c1ccccc1Cl ZINC000038065625 174076581 /nfs/dbraw/zinc/07/65/81/174076581.db2.gz VOJXTSNETIJGQY-ZANVPECISA-N 1 0 254.761 2.429 10 0 CEAERO Cc1csc(CN[C@@H](C)[C@H]2CCC[N@H+](C)C2)n1 ZINC000038090929 174105016 /nfs/dbraw/zinc/10/50/16/174105016.db2.gz IHJASVSATQNRAZ-RYUDHWBXSA-N 1 0 253.415 2.271 10 0 CEAERO COc1ccccc1[C@@H]1C[NH2+]C[C@@H]1NC(=O)OC(C)(C)C ZINC000038922891 174160107 /nfs/dbraw/zinc/16/01/07/174160107.db2.gz AZGMOUYTWMSTRT-STQMWFEESA-N 1 0 292.379 2.275 10 0 CEAERO NC(=[NH2+])Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000039073227 174162436 /nfs/dbraw/zinc/16/24/36/174162436.db2.gz FSGZPSOLFUMEST-UHFFFAOYSA-N 1 0 254.293 2.244 10 0 CEAERO COC(=O)c1ccc(CN2CC[NH2+]C[C@@H]2CC(C)C)cc1 ZINC000039952599 174177925 /nfs/dbraw/zinc/17/79/25/174177925.db2.gz XLXISRZOYLNXJA-INIZCTEOSA-N 1 0 290.407 2.293 10 0 CEAERO Cc1nc2ccccc2n1CCC[NH+]1CCOCC1 ZINC000040389776 174252450 /nfs/dbraw/zinc/25/24/50/174252450.db2.gz NAXSYBRBXRCUHQ-UHFFFAOYSA-N 1 0 259.353 2.067 10 0 CEAERO COC(=O)[C@H](C)C[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000040491092 174292318 /nfs/dbraw/zinc/29/23/18/174292318.db2.gz DMLJCVOWYICAMH-GHMZBOCLSA-N 1 0 281.352 2.164 10 0 CEAERO Cc1ccc(OC[C@H](C)[NH2+][C@@H](C)C(=O)N2CCCC2)cc1 ZINC000040499959 174296697 /nfs/dbraw/zinc/29/66/97/174296697.db2.gz UUOHLQMAQYHUHC-GJZGRUSLSA-N 1 0 290.407 2.363 10 0 CEAERO CCCO[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000040501381 174297536 /nfs/dbraw/zinc/29/75/36/174297536.db2.gz BRIHAFYNJOALRS-XUWVNRHRSA-N 1 0 294.439 2.325 10 0 CEAERO CCCO[C@@H]1CCCN(C(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000040501283 174297642 /nfs/dbraw/zinc/29/76/42/174297642.db2.gz HSXIXQQBSMMCPA-HUUCEWRRSA-N 1 0 276.380 2.104 10 0 CEAERO CCN1CCC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000040502587 174298710 /nfs/dbraw/zinc/29/87/10/174298710.db2.gz MYIALVMMXCFOET-ZWKOTPCHSA-N 1 0 287.451 2.335 10 0 CEAERO Cc1nc(C)c([C@@H](C)NC(=O)[C@@H]2CCCC[NH2+]2)s1 ZINC000040519022 174308646 /nfs/dbraw/zinc/30/86/46/174308646.db2.gz DVLIPFQVCCXSEA-KOLCDFICSA-N 1 0 267.398 2.079 10 0 CEAERO C[NH2+]C[C@H]1CCCN([C@@H](C)c2ccc3c(c2)OCO3)C1 ZINC000040592924 174347754 /nfs/dbraw/zinc/34/77/54/174347754.db2.gz SGQMKZFVKNFQOA-QWHCGFSZSA-N 1 0 276.380 2.408 10 0 CEAERO CC[NH+](CC)[C@H](CNS(=O)(=O)CC)c1ccc(C)cc1 ZINC000040615404 174354295 /nfs/dbraw/zinc/35/42/95/174354295.db2.gz UZWCPFLMUNMFGX-OAHLLOKOSA-N 1 0 298.452 2.317 10 0 CEAERO Cc1c(N)cc(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1F ZINC000040620521 174354803 /nfs/dbraw/zinc/35/48/03/174354803.db2.gz VLCAKQNELFBZKG-GFCCVEGCSA-N 1 0 293.386 2.176 10 0 CEAERO CC(C)CCNC(=O)NCC(C)(C)[NH+]1CCCC1 ZINC000040654598 174365354 /nfs/dbraw/zinc/36/53/54/174365354.db2.gz QUBPWHLHPVFLGD-UHFFFAOYSA-N 1 0 255.406 2.206 10 0 CEAERO CC[C@@H](C)[NH2+][C@@H](C(N)=O)c1cccc(OC(C)C)c1 ZINC000040666554 174366266 /nfs/dbraw/zinc/36/62/66/174366266.db2.gz VFMDHZNDAXKHSO-BXUZGUMPSA-N 1 0 264.369 2.388 10 0 CEAERO C[C@H]1CCC[C@](C[NH2+][C@@H]2CN3CCC2CC3)(N(C)C)C1 ZINC000040668655 174367751 /nfs/dbraw/zinc/36/77/51/174367751.db2.gz FFAJFPSYCMKZQP-UAGQMJEPSA-N 1 0 279.472 2.181 10 0 CEAERO C[C@H]1CCC[C@](CNc2ncccc2C(N)=O)([NH+](C)C)C1 ZINC000040670203 174368262 /nfs/dbraw/zinc/36/82/62/174368262.db2.gz AZHTYSIOFZMFTR-LRDDRELGSA-N 1 0 290.411 2.103 10 0 CEAERO Cc1n[nH]c(C)c1C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000040670961 174369139 /nfs/dbraw/zinc/36/91/39/174369139.db2.gz GCSLUJPVMYNUTG-ZBEGNZNMSA-N 1 0 292.427 2.267 10 0 CEAERO Cc1csc2nc(C)c(C[NH2+][C@H]3CCCN(C)C3)n12 ZINC000040672904 174371292 /nfs/dbraw/zinc/37/12/92/174371292.db2.gz YGVTYGJQULXAEC-LBPRGKRZSA-N 1 0 278.425 2.196 10 0 CEAERO CC(C)([NH2+]Cc1ccc(Cl)c(Cl)c1)C(N)=O ZINC000040673943 174371926 /nfs/dbraw/zinc/37/19/26/174371926.db2.gz PBKZUCZNHYESKG-UHFFFAOYSA-N 1 0 261.152 2.347 10 0 CEAERO C[N@@H+]1CCC[C@@H](NC(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000040690811 174376873 /nfs/dbraw/zinc/37/68/73/174376873.db2.gz QDAZLCIRQXVXNO-SECBINFHSA-N 1 0 288.178 2.212 10 0 CEAERO CCOC(=O)C1(Nc2cccc(Cl)c2)CC[NH2+]CC1 ZINC000040695314 174378131 /nfs/dbraw/zinc/37/81/31/174378131.db2.gz ZDARFNDGCRIYSD-UHFFFAOYSA-N 1 0 282.771 2.437 10 0 CEAERO C[C@@H]1C[C@H](C(=O)N[C@@H]2CCC[N@H+](C)C2)c2ccccc2N1 ZINC000040716164 174383407 /nfs/dbraw/zinc/38/34/07/174383407.db2.gz QDFBSUZOWGKCKO-NFAWXSAZSA-N 1 0 287.407 2.185 10 0 CEAERO Cc1c(N)cccc1NC(=O)CC[N@H+]1CC[C@@H](C)C1 ZINC000040716905 174384356 /nfs/dbraw/zinc/38/43/56/174384356.db2.gz ODFWBIIIWMUJNQ-LLVKDONJSA-N 1 0 261.369 2.248 10 0 CEAERO C[C@H]1CC[N@H+](CCCC(=O)Nc2cc(N)ccc2F)C1 ZINC000040716753 174384442 /nfs/dbraw/zinc/38/44/42/174384442.db2.gz PMXNJAGKQNKDSE-NSHDSACASA-N 1 0 279.359 2.468 10 0 CEAERO CCN(C(=O)NC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747948 174393044 /nfs/dbraw/zinc/39/30/44/174393044.db2.gz YVVTUGZLPAZIMO-FOSCPWQOSA-N 1 0 253.390 2.099 10 0 CEAERO Cc1cccc(Nc2nc[nH+]c(NN(C)C)c2N)c1C ZINC000040755041 174396421 /nfs/dbraw/zinc/39/64/21/174396421.db2.gz ZSHDPZGVRGGMKH-UHFFFAOYSA-N 1 0 272.356 2.308 10 0 CEAERO CCOc1ccc(Nc2nc[nH+]c(NN(C)C)c2N)cc1 ZINC000040759972 174396994 /nfs/dbraw/zinc/39/69/94/174396994.db2.gz JIZVQFSMZPRAPP-UHFFFAOYSA-N 1 0 288.355 2.090 10 0 CEAERO Nc1cc2c(cc1NCC[NH+]1CCCCCC1)OCCO2 ZINC000040767579 174398415 /nfs/dbraw/zinc/39/84/15/174398415.db2.gz IGIIORYJRNMTKB-UHFFFAOYSA-N 1 0 291.395 2.328 10 0 CEAERO CCOC(=O)c1ccccc1NC(=O)CCCCC[NH3+] ZINC000040831959 174413893 /nfs/dbraw/zinc/41/38/93/174413893.db2.gz RQFJCCRPXRPAFY-UHFFFAOYSA-N 1 0 278.352 2.321 10 0 CEAERO COc1ccccc1[C@H](C)NC(=O)C1CCC([NH3+])CC1 ZINC000040851238 174420626 /nfs/dbraw/zinc/42/06/26/174420626.db2.gz IFLWIPSKZUZQGC-HIFPTAJRSA-N 1 0 276.380 2.390 10 0 CEAERO COc1ccc(C[NH2+]C(C)C)c(O[C@H]2CCC[C@H]2O)c1 ZINC000040904313 174430141 /nfs/dbraw/zinc/43/01/41/174430141.db2.gz KIOOVYIDVHIKDP-CABCVRRESA-N 1 0 279.380 2.485 10 0 CEAERO CC(C)([NH3+])c1cn(Cc2c(F)cccc2Cl)nn1 ZINC000070117882 414765618 /nfs/dbraw/zinc/76/56/18/414765618.db2.gz UZGUPLNDFLBBIO-UHFFFAOYSA-N 1 0 268.723 2.313 10 0 CEAERO Cc1cccc(OCCc2nc([C@H]3CCC[NH2+]3)no2)c1 ZINC000071396707 414775182 /nfs/dbraw/zinc/77/51/82/414775182.db2.gz JYMHYZSUQKGBMY-CYBMUJFWSA-N 1 0 273.336 2.424 10 0 CEAERO C[C@H]([NH3+])c1noc(-c2ccccc2OC(F)F)n1 ZINC000041121835 174487208 /nfs/dbraw/zinc/48/72/08/174487208.db2.gz NFUNOPGVBDPYFL-LURJTMIESA-N 1 0 255.224 2.358 10 0 CEAERO O=C1CCCCC(=O)N1[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC000041157001 174500825 /nfs/dbraw/zinc/50/08/25/174500825.db2.gz KRDYOAVTTWTNFA-CYBMUJFWSA-N 1 0 278.396 2.371 10 0 CEAERO C[C@H]1CN(C(=O)[C@H]2CCC[NH2+]C2)CCc2ccccc21 ZINC000404783133 414790126 /nfs/dbraw/zinc/79/01/26/414790126.db2.gz DCIGHUMVQGQQEI-ZFWWWQNUSA-N 1 0 272.392 2.174 10 0 CEAERO CC[C@H]1CN(c2ncnc3ccccc32)CC[C@@H]1[NH3+] ZINC000123047344 414792311 /nfs/dbraw/zinc/79/23/11/414792311.db2.gz DYFPYXHXYVKGKX-AAEUAGOBSA-N 1 0 256.353 2.193 10 0 CEAERO CO[C@@H](CNC(=O)C1CCC([NH3+])CC1)C1CCCCC1 ZINC000662927809 414803341 /nfs/dbraw/zinc/80/33/41/414803341.db2.gz FVVFQKXSZPOLRF-NRXISQOPSA-N 1 0 282.428 2.215 10 0 CEAERO Cc1cc(C(=O)N(C)[C@H](C[NH3+])C(F)(F)F)sc1C ZINC000662975671 414814810 /nfs/dbraw/zinc/81/48/10/414814810.db2.gz JZFJMSKDVYWROF-SECBINFHSA-N 1 0 280.315 2.327 10 0 CEAERO C[C@H](C(=O)N(C)[C@H](C[NH3+])C(F)(F)F)c1ccccc1 ZINC000662984028 414818629 /nfs/dbraw/zinc/81/86/29/414818629.db2.gz IMNFEVBDADNDNE-GXSJLCMTSA-N 1 0 274.286 2.138 10 0 CEAERO CN(C(=O)CCC(C)(C)C)[C@@H](C[NH3+])C(F)(F)F ZINC000662982446 414818904 /nfs/dbraw/zinc/81/89/04/414818904.db2.gz ICKABBIORYGZHB-QMMMGPOBSA-N 1 0 254.296 2.161 10 0 CEAERO CCC(C)(C)CC(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662982496 414819139 /nfs/dbraw/zinc/81/91/39/414819139.db2.gz VKXVTGPMGKKNQH-QMMMGPOBSA-N 1 0 254.296 2.161 10 0 CEAERO C[NH2+][C@@H](C)c1cccc(NC(=O)Nc2nncs2)c1 ZINC000041708055 174611489 /nfs/dbraw/zinc/61/14/89/174611489.db2.gz KLMFXSBULGIRKI-QMMMGPOBSA-N 1 0 277.353 2.463 10 0 CEAERO C[NH2+][C@H](C)c1ccc(NC(=O)N2CCO[C@@H](C)C2)cc1 ZINC000041709217 174611764 /nfs/dbraw/zinc/61/17/64/174611764.db2.gz JGQZSVBJNOBRBA-NWDGAFQWSA-N 1 0 277.368 2.220 10 0 CEAERO C[C@H]([NH3+])c1cccc(NC(=O)NC2CCOCC2)c1 ZINC000041716709 174615299 /nfs/dbraw/zinc/61/52/99/174615299.db2.gz CFGMYZFAJJWHLG-JTQLQIEISA-N 1 0 263.341 2.007 10 0 CEAERO C[NH+](C)[C@H](CNCc1ncc(Cl)s1)C1CC1 ZINC000309625243 414855048 /nfs/dbraw/zinc/85/50/48/414855048.db2.gz GGGBKRJPKVIYED-SECBINFHSA-N 1 0 259.806 2.226 10 0 CEAERO CC[C@H]1CCC[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653093051 414904652 /nfs/dbraw/zinc/90/46/52/414904652.db2.gz UOZQXDHIZDCVOA-NNYUYHANSA-N 1 0 292.345 2.469 10 0 CEAERO CC(C)(C)CCCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653094532 414905144 /nfs/dbraw/zinc/90/51/44/414905144.db2.gz IQJCMQRSSBTGBJ-NXEZZACHSA-N 1 0 280.334 2.327 10 0 CEAERO C[C@@H](CN(C)Cc1ccccc1)[NH2+]Cc1cnc2n1CCC2 ZINC000657427907 414931210 /nfs/dbraw/zinc/93/12/10/414931210.db2.gz GWJGBFKHUMNJMP-HNNXBMFYSA-N 1 0 298.434 2.439 10 0 CEAERO O[C@@H](C[NH2+]C(C1CC1)C1CC1)COCc1ccccc1 ZINC000042320616 174684490 /nfs/dbraw/zinc/68/44/90/174684490.db2.gz PXHPAXXYIWDNBI-INIZCTEOSA-N 1 0 275.392 2.342 10 0 CEAERO c1ccc(C2(c3nnc(C4CC4)[nH]3)CC[NH2+]CC2)cc1 ZINC000042326661 174686054 /nfs/dbraw/zinc/68/60/54/174686054.db2.gz YGNWXYNSATWPFA-UHFFFAOYSA-N 1 0 268.364 2.352 10 0 CEAERO C[C@H]([NH2+]C1CCS(=O)CC1)c1ccc(F)cc1 ZINC000042335876 174688900 /nfs/dbraw/zinc/68/89/00/174688900.db2.gz JWOOZRWEBVNXSI-ITNLDZRZSA-N 1 0 255.358 2.387 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc2ccncc2c1 ZINC000653046929 414881848 /nfs/dbraw/zinc/88/18/48/414881848.db2.gz WXQVGIGXONNXMM-HNNXBMFYSA-N 1 0 269.348 2.188 10 0 CEAERO CCC1(C)CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CC1 ZINC000653083653 414900386 /nfs/dbraw/zinc/90/03/86/414900386.db2.gz DYXZOKRCKHVAGG-GHMZBOCLSA-N 1 0 292.345 2.423 10 0 CEAERO COCCC[N@H+](CCOC)Cc1ccc2c(c1)CCN2 ZINC000042425439 174725232 /nfs/dbraw/zinc/72/52/32/174725232.db2.gz NXQYSDIWJZXYNR-UHFFFAOYSA-N 1 0 278.396 2.140 10 0 CEAERO C[NH2+]C[C@H](C)Nc1ccnc2cc(Br)cnc21 ZINC000663278275 414902813 /nfs/dbraw/zinc/90/28/13/414902813.db2.gz FRTUJVFTFFZKFH-QMMMGPOBSA-N 1 0 295.184 2.412 10 0 CEAERO CCC1(CC)CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653089563 414903399 /nfs/dbraw/zinc/90/33/99/414903399.db2.gz MEOHEILUXDVXMI-GHMZBOCLSA-N 1 0 292.345 2.423 10 0 CEAERO CCCCN([C@@H](C)CC)S(=O)(=O)C[C@@H]1CCC[NH2+]C1 ZINC000042611407 174824416 /nfs/dbraw/zinc/82/44/16/174824416.db2.gz VLUUUALFCMFWFN-UONOGXRCSA-N 1 0 290.473 2.216 10 0 CEAERO CN1C[C@H](C[NH2+]Cc2ccc(Br)cc2)CC1=O ZINC000657693685 415049409 /nfs/dbraw/zinc/04/94/09/415049409.db2.gz FIEUXBZCCMHGSO-NSHDSACASA-N 1 0 297.196 2.017 10 0 CEAERO CN1C[C@H](C[NH2+]Cc2cc(Cl)ccc2F)CC1=O ZINC000657694324 415050430 /nfs/dbraw/zinc/05/04/30/415050430.db2.gz CUKMKRJKQIGYNP-VIFPVBQESA-N 1 0 270.735 2.047 10 0 CEAERO CC(C)Oc1cccc(C[NH2+]C[C@@H]2CC(=O)N(C)C2)c1 ZINC000657698316 415052219 /nfs/dbraw/zinc/05/22/19/415052219.db2.gz VFAJFRPLMRELDS-AWEZNQCLSA-N 1 0 276.380 2.042 10 0 CEAERO C[NH2+][C@@H](C)c1ccccc1N1CCCN(C(C)=O)CC1 ZINC000042680144 174834312 /nfs/dbraw/zinc/83/43/12/174834312.db2.gz MKSYNIIJLHAODJ-ZDUSSCGKSA-N 1 0 275.396 2.026 10 0 CEAERO CCC(CC)N(CCOC)c1nnc(C)c(C)c1C(N)=[NH2+] ZINC000042679958 174834648 /nfs/dbraw/zinc/83/46/48/174834648.db2.gz FEYHMWBBFCQWTO-UHFFFAOYSA-N 1 0 293.415 2.019 10 0 CEAERO CCN(CC(F)(F)F)c1nc2ccccn2c1C[NH2+]C ZINC000042777402 174874495 /nfs/dbraw/zinc/87/44/95/174874495.db2.gz GWTOGAFRNLGCJW-UHFFFAOYSA-N 1 0 286.301 2.442 10 0 CEAERO OCC1CC([NH2+]Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000657808559 415088286 /nfs/dbraw/zinc/08/82/86/415088286.db2.gz LDJFNBZVMNBXJT-UHFFFAOYSA-N 1 0 275.270 2.446 10 0 CEAERO COC(=O)CCS[C@@H](C[NH3+])c1ccc(C)cc1 ZINC000042907642 174908273 /nfs/dbraw/zinc/90/82/73/174908273.db2.gz NCQANIZJGLMHAY-LBPRGKRZSA-N 1 0 253.367 2.291 10 0 CEAERO C[C@@H]1CC(C[NH2+][C@H]2COC3(CCC3)C2)C[C@@H](C)O1 ZINC000658001484 415151878 /nfs/dbraw/zinc/15/18/78/415151878.db2.gz PAKOHRFUXFMOMU-YRGRVCCFSA-N 1 0 253.386 2.491 10 0 CEAERO C[C@@H]1C[C@@H](C[NH2+][C@@H]2COC3(CCC3)C2)C[C@H](C)O1 ZINC000658001479 415153071 /nfs/dbraw/zinc/15/30/71/415153071.db2.gz PAKOHRFUXFMOMU-CRWXNKLISA-N 1 0 253.386 2.491 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccccc1C)N(CCOC)CCOC ZINC000043035495 174950351 /nfs/dbraw/zinc/95/03/51/174950351.db2.gz YPANTNSYYFISIT-IRXDYDNUSA-N 1 0 294.439 2.368 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccccc1F)N(CCOC)CCOC ZINC000043043907 174955854 /nfs/dbraw/zinc/95/58/54/174955854.db2.gz MRXRTILWDMSYNQ-JKSUJKDBSA-N 1 0 298.402 2.199 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccccc1Cl)N1CCC[C@@H]1C(N)=O ZINC000043051227 174959268 /nfs/dbraw/zinc/95/92/68/174959268.db2.gz XAUNZECSSPUTPB-MCIONIFRSA-N 1 0 295.814 2.068 10 0 CEAERO CCN(CCO)[C@H](c1ccccc1Cl)[C@@H](C)[NH3+] ZINC000043051741 174959556 /nfs/dbraw/zinc/95/95/56/174959556.db2.gz IPCWWTQVHCLUSY-MFKMUULPSA-N 1 0 256.777 2.043 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000043102281 174968205 /nfs/dbraw/zinc/96/82/05/174968205.db2.gz QFAWGZJRIREHGJ-NTZNESFSSA-N 1 0 254.399 2.247 10 0 CEAERO [NH3+]C[C@H](c1cccs1)n1cc(Br)cn1 ZINC000043107296 174972904 /nfs/dbraw/zinc/97/29/04/174972904.db2.gz KCNUSVNRWLRBQL-MRVPVSSYSA-N 1 0 272.171 2.255 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccsc1)N1CCC(CC(N)=O)CC1 ZINC000043123785 174976945 /nfs/dbraw/zinc/97/69/45/174976945.db2.gz NOEHQNHXVBAWDF-UKRRQHHQSA-N 1 0 295.452 2.114 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cnn(C)c1)N(C)Cc1ccc(F)cc1 ZINC000043127475 174978760 /nfs/dbraw/zinc/97/87/60/174978760.db2.gz JBRJWWYHIGFGFB-CVEARBPZSA-N 1 0 290.386 2.470 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cnn(C)c1)N1CCC(CC)CC1 ZINC000043128793 174979628 /nfs/dbraw/zinc/97/96/28/174979628.db2.gz QKIYYYFRIOLMDR-CABCVRRESA-N 1 0 264.417 2.321 10 0 CEAERO CC[C@H]([NH3+])[C@H](Oc1ccccc1OC)c1cnn(C)c1 ZINC000043234108 174986845 /nfs/dbraw/zinc/98/68/45/174986845.db2.gz ISSHRPXTWYPYNM-SWLSCSKDSA-N 1 0 275.352 2.286 10 0 CEAERO CC[C@H]([NH3+])[C@@H](OCCCc1ccncc1)c1cnn(C)c1 ZINC000043235993 174987106 /nfs/dbraw/zinc/98/71/06/174987106.db2.gz ZVUWYFTYIVUBGW-HOTGVXAUSA-N 1 0 288.395 2.243 10 0 CEAERO C[C@H]([NH3+])[C@H](OCc1cccs1)c1cnn(C)c1 ZINC000043236798 174987686 /nfs/dbraw/zinc/98/76/86/174987686.db2.gz SYJMKJJXGKZMHP-CABZTGNLSA-N 1 0 251.355 2.087 10 0 CEAERO [NH3+][C@@H](c1cccc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043299999 175000901 /nfs/dbraw/zinc/00/09/01/175000901.db2.gz PYOVNOPZZWJWQM-ONGXEEELSA-N 1 0 293.310 2.140 10 0 CEAERO CC(C)(C)c1ccc([C@@H]([NH3+])[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000043299990 175001032 /nfs/dbraw/zinc/00/10/32/175001032.db2.gz BEXQOPQVZFDAOO-TZMCWYRMSA-N 1 0 281.421 2.419 10 0 CEAERO [NH3+][C@@H](c1c(Cl)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000043300049 175001160 /nfs/dbraw/zinc/00/11/60/175001160.db2.gz BWXAKJMVYKPOHV-RDDDGLTNSA-N 1 0 294.203 2.428 10 0 CEAERO CC[NH2+][C@H](c1ccccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000043301000 175001625 /nfs/dbraw/zinc/00/16/25/175001625.db2.gz GDFNNMLHEGKANM-JSGCOSHPSA-N 1 0 267.394 2.080 10 0 CEAERO COc1ccc(Cl)c(NC(=O)[C@@](C)([NH3+])C2CC2)c1 ZINC000043318649 175005816 /nfs/dbraw/zinc/00/58/16/175005816.db2.gz BZGXNAHRGSAJQU-ZDUSSCGKSA-N 1 0 268.744 2.415 10 0 CEAERO Clc1cccc(N[C@H]2CCC[NH2+]C2)c1-n1cncn1 ZINC000043326610 175008261 /nfs/dbraw/zinc/00/82/61/175008261.db2.gz PDMOSYSKFMFURV-JTQLQIEISA-N 1 0 277.759 2.085 10 0 CEAERO FC(F)(F)[C@H]1CCCC[C@@H]1N[C@@H]1CCC[NH2+]C1 ZINC000043326673 175008308 /nfs/dbraw/zinc/00/83/08/175008308.db2.gz YPOXULRGTISFJA-VWYCJHECSA-N 1 0 250.308 2.449 10 0 CEAERO FC(F)(F)CO[C@H]1CCC[C@H]([NH2+][C@@H]2CCCNC2)C1 ZINC000043326961 175008840 /nfs/dbraw/zinc/00/88/40/175008840.db2.gz PDPFFFYNZBEROV-TUAOUCFPSA-N 1 0 280.334 2.218 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1ccco1)N(CCO)C1CCCCC1 ZINC000043336133 175012085 /nfs/dbraw/zinc/01/20/85/175012085.db2.gz YLZOUAJOWMRTMO-WFASDCNBSA-N 1 0 266.385 2.295 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1nccc(=O)[nH]1)c1ccco1 ZINC000043338395 175012928 /nfs/dbraw/zinc/01/29/28/175012928.db2.gz KRQAXQGKVSOLPI-KWQFWETISA-N 1 0 265.338 2.346 10 0 CEAERO CCOC1CCN([C@@H](c2ccccn2)[C@H]([NH3+])CC)CC1 ZINC000043339697 175013553 /nfs/dbraw/zinc/01/35/53/175013553.db2.gz FOLUUDUGQFUADP-GDBMZVCRSA-N 1 0 277.412 2.361 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccccn1)N(CC)C[C@@H]1CCCO1 ZINC000043340089 175014839 /nfs/dbraw/zinc/01/48/39/175014839.db2.gz XGPZTRYSCZMZPV-SQWLQELKSA-N 1 0 277.412 2.361 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1ccccn1)n1ccc(C(F)(F)F)n1 ZINC000043341580 175014937 /nfs/dbraw/zinc/01/49/37/175014937.db2.gz SRTPFUDKNFEQIZ-KWQFWETISA-N 1 0 270.258 2.234 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1n[nH]c(C)n1)c1ccccn1 ZINC000043345327 175016894 /nfs/dbraw/zinc/01/68/94/175016894.db2.gz PKWZBDWMGZPNGD-GXSJLCMTSA-N 1 0 263.370 2.079 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cccnc1)N(C)Cc1ccccn1 ZINC000043346503 175017511 /nfs/dbraw/zinc/01/75/11/175017511.db2.gz FKAOFEQVHQKHDN-CVEARBPZSA-N 1 0 270.380 2.387 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1cccnc1)N(CCO)C1CCCC1 ZINC000043348337 175018374 /nfs/dbraw/zinc/01/83/74/175018374.db2.gz HKKKPXUWANWDFT-HOTGVXAUSA-N 1 0 277.412 2.097 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1ccncc1)N(C)CCc1ccncc1 ZINC000043353853 175020715 /nfs/dbraw/zinc/02/07/15/175020715.db2.gz KICKBWAONRRCPW-BBRMVZONSA-N 1 0 270.380 2.039 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccncc1)N1CCCSCC1 ZINC000043354054 175021351 /nfs/dbraw/zinc/02/13/51/175021351.db2.gz LZKZKXZPHOYILT-KGLIPLIRSA-N 1 0 265.426 2.299 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccncc1)N(CCO)C1CCCC1 ZINC000043354628 175022256 /nfs/dbraw/zinc/02/22/56/175022256.db2.gz KWMPFWARSJDPQN-CVEARBPZSA-N 1 0 277.412 2.097 10 0 CEAERO C[C@@H]([NH3+])[C@H](OC[C@@H]1CCCCO1)c1ccncc1 ZINC000043355692 175022971 /nfs/dbraw/zinc/02/29/71/175022971.db2.gz BVLWFWOLIUVUNE-XBFCOCLRSA-N 1 0 250.342 2.056 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccc(C)o1)N(C)C1CCOCC1 ZINC000043364464 175025216 /nfs/dbraw/zinc/02/52/16/175025216.db2.gz YWRCEUFKVPPQKT-DZGCQCFKSA-N 1 0 266.385 2.477 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)N(CCOC)C1CC1 ZINC000043364917 175025783 /nfs/dbraw/zinc/02/57/83/175025783.db2.gz MXMQOIVORUXKCU-UKRRQHHQSA-N 1 0 266.385 2.477 10 0 CEAERO Cc1ccc([C@@H](Sc2nccc(=O)[nH]2)[C@@H](C)[NH3+])o1 ZINC000043367480 175027564 /nfs/dbraw/zinc/02/75/64/175027564.db2.gz QXHVBYRIUMMTKN-KCJUWKMLSA-N 1 0 265.338 2.264 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1nncn1C)c1ccc(C)o1 ZINC000043367336 175027790 /nfs/dbraw/zinc/02/77/90/175027790.db2.gz QHEDSPLKNZYSSG-MWLCHTKSSA-N 1 0 266.370 2.287 10 0 CEAERO C[C@H]([NH3+])[C@@H](N1CCC[C@@H]1c1ccncc1)C(F)(F)F ZINC000043377558 175030109 /nfs/dbraw/zinc/03/01/09/175030109.db2.gz WPCRJFHDLDUXFW-MVWJERBFSA-N 1 0 273.302 2.497 10 0 CEAERO COc1ccccc1CN(C)[C@H]([C@@H](C)[NH3+])C(F)(F)F ZINC000043378194 175030592 /nfs/dbraw/zinc/03/05/92/175030592.db2.gz KXUUOGGLEBCAOE-BXKDBHETSA-N 1 0 276.302 2.405 10 0 CEAERO C[C@@H]([NH3+])[C@@H](n1cc(Br)cn1)C(F)(F)F ZINC000043383085 175031304 /nfs/dbraw/zinc/03/13/04/175031304.db2.gz KJISDYOIHYNTLR-INEUFUBQSA-N 1 0 272.068 2.096 10 0 CEAERO C[C@@H]([NH3+])[C@H](Sc1nnc2n1CCCCC2)C(F)(F)F ZINC000043385761 175032068 /nfs/dbraw/zinc/03/20/68/175032068.db2.gz NKJOHQXVKNOPHK-APPZFPTMSA-N 1 0 294.346 2.375 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1nncs1)C(F)(F)F ZINC000043385916 175032192 /nfs/dbraw/zinc/03/21/92/175032192.db2.gz FFXNNPIXZVYDMC-UHNVWZDZSA-N 1 0 257.306 2.298 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1nncs1)C(F)(F)F ZINC000043385914 175032194 /nfs/dbraw/zinc/03/21/94/175032194.db2.gz FFXNNPIXZVYDMC-WHFBIAKZSA-N 1 0 257.306 2.298 10 0 CEAERO CC(C)C[NH2+][C@@H](C(N)=O)c1ccc(Cl)c(F)c1 ZINC000043390877 175033954 /nfs/dbraw/zinc/03/39/54/175033954.db2.gz KRDRBJWNOHNNBH-LLVKDONJSA-N 1 0 258.724 2.251 10 0 CEAERO C[NH2+]CCC(=O)N[C@@H](C)c1ccc(SC)cc1 ZINC000043603836 175077755 /nfs/dbraw/zinc/07/77/55/175077755.db2.gz RDTURDPGQBUTJL-JTQLQIEISA-N 1 0 252.383 2.195 10 0 CEAERO CCn1c2ccc(Cl)cc2nc1[C@@H]1C[NH2+]CCO1 ZINC000043705091 175099368 /nfs/dbraw/zinc/09/93/68/175099368.db2.gz WNHOBSUKIJQPAL-LBPRGKRZSA-N 1 0 265.744 2.371 10 0 CEAERO CC[NH2+][C@@H](c1ccc(OC)cc1)[C@@H](C)N1CCOCC1 ZINC000043808401 175109040 /nfs/dbraw/zinc/10/90/40/175109040.db2.gz VGDMMRRYKCMUKS-CZUORRHYSA-N 1 0 278.396 2.067 10 0 CEAERO CCOc1ccccc1[C@@H](CN1C[C@@H](C)O[C@@H](C)C1)[NH2+]C ZINC000043811391 175109978 /nfs/dbraw/zinc/10/99/78/175109978.db2.gz XBFPYYVSQORROO-IJEWVQPXSA-N 1 0 292.423 2.455 10 0 CEAERO C[NH2+][C@@H](CN1CCC[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000043811717 175110793 /nfs/dbraw/zinc/11/07/93/175110793.db2.gz KNOZAKRZSGTSEW-HIFRSBDPSA-N 1 0 290.407 2.450 10 0 CEAERO CC[NH2+][C@H](CN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1OC ZINC000043811490 175111053 /nfs/dbraw/zinc/11/10/53/175111053.db2.gz NUSHSYIPMFFQJB-IJEWVQPXSA-N 1 0 292.423 2.455 10 0 CEAERO C[NH2+][C@@H](CN1CCCCC1)c1ccc2c(c1)OCO2 ZINC000043813964 175111780 /nfs/dbraw/zinc/11/17/80/175111780.db2.gz ADDPDQWHBXGNGU-ZDUSSCGKSA-N 1 0 262.353 2.162 10 0 CEAERO CCC[NH2+][C@@H]1CCOC[C@@H]1N(C)Cc1ccccc1 ZINC000043816608 175112235 /nfs/dbraw/zinc/11/22/35/175112235.db2.gz LNJGZZAISCAXTR-CVEARBPZSA-N 1 0 262.397 2.276 10 0 CEAERO C[NH2+][C@H]1c2ccc(OC)cc2CC[C@H]1N(C)C1CC1 ZINC000043822879 175114512 /nfs/dbraw/zinc/11/45/12/175114512.db2.gz QMVSNPZJYYBUIX-CVEARBPZSA-N 1 0 260.381 2.365 10 0 CEAERO CC[NH2+][C@@H](CN(C)C1CC1)c1ccc2c(c1)OCCO2 ZINC000043823172 175114672 /nfs/dbraw/zinc/11/46/72/175114672.db2.gz GQFYCPWRNWJODX-AWEZNQCLSA-N 1 0 276.380 2.203 10 0 CEAERO C[NH2+][C@@H](c1ccccc1)[C@H](C)N1CCC(OC)CC1 ZINC000043889894 175117608 /nfs/dbraw/zinc/11/76/08/175117608.db2.gz QYJARMRRTUQJJD-XJKSGUPXSA-N 1 0 262.397 2.446 10 0 CEAERO CC[NH2+][C@@H](c1ccc(OC)cc1)[C@H](C)N1CCOC[C@@H]1C ZINC000043891532 175118206 /nfs/dbraw/zinc/11/82/06/175118206.db2.gz WVHVANRADGSZPN-GRDNDAEWSA-N 1 0 292.423 2.455 10 0 CEAERO CCCOc1ccc([C@H](CN2CCOC[C@@H]2C)[NH2+]C)cc1 ZINC000043891165 175118311 /nfs/dbraw/zinc/11/83/11/175118311.db2.gz MQQUMIMPZPYFHV-YOEHRIQHSA-N 1 0 292.423 2.457 10 0 CEAERO CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N1CCOC[C@@H]1C ZINC000043891726 175118523 /nfs/dbraw/zinc/11/85/23/175118523.db2.gz MYJGKAJWRQGQSL-XQLPTFJDSA-N 1 0 254.418 2.264 10 0 CEAERO CCC[NH2+][C@H]1CCCCC[C@@H]1N1CCOC[C@@H]1C ZINC000043891745 175118755 /nfs/dbraw/zinc/11/87/55/175118755.db2.gz WWWMSVOGNNIZAR-KKUMJFAQSA-N 1 0 254.418 2.408 10 0 CEAERO C[NH2+][C@@H]1CCCCCC[C@@H]1N(C)C1CCOCC1 ZINC000043898143 175121111 /nfs/dbraw/zinc/12/11/11/175121111.db2.gz ZBZIASGUDIVLPC-CABCVRRESA-N 1 0 254.418 2.408 10 0 CEAERO CC[NH2+][C@H]1CCOC[C@@H]1N(C)C1CCCCCC1 ZINC000043899748 175121862 /nfs/dbraw/zinc/12/18/62/175121862.db2.gz QGOLJXRYJBQEPJ-GJZGRUSLSA-N 1 0 254.418 2.408 10 0 CEAERO CC[NH2+][C@@H](CN1CCOC[C@@H]1CC)c1ccc(OC)cc1 ZINC000043899191 175122039 /nfs/dbraw/zinc/12/20/39/175122039.db2.gz ICOKYZICEFPOCH-RDJZCZTQSA-N 1 0 292.423 2.457 10 0 CEAERO CC[NH2+][C@@H]1CCOC[C@H]1N(C)C1CCCCCC1 ZINC000043899751 175122092 /nfs/dbraw/zinc/12/20/92/175122092.db2.gz QGOLJXRYJBQEPJ-HUUCEWRRSA-N 1 0 254.418 2.408 10 0 CEAERO CC[NH2+][C@@H]1CCCC[C@@H]1N(C)CCc1ccncc1 ZINC000043902155 175122935 /nfs/dbraw/zinc/12/29/35/175122935.db2.gz CXYDUAHXGWXBGF-CVEARBPZSA-N 1 0 261.413 2.477 10 0 CEAERO CCC[NH2+][C@@H]1CCC[C@@H]1N1CCC(OCC)CC1 ZINC000043907529 175123149 /nfs/dbraw/zinc/12/31/49/175123149.db2.gz QAHBRICSNHZHGV-CABCVRRESA-N 1 0 254.418 2.408 10 0 CEAERO CCOC1CCN([C@@H]2COc3ccccc3[C@@H]2[NH2+]C)CC1 ZINC000043907131 175123505 /nfs/dbraw/zinc/12/35/05/175123505.db2.gz LRZJBQAOUALSAS-WBVHZDCISA-N 1 0 290.407 2.209 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2CC[C@@H]1N(C)CCOC ZINC000043916106 175125123 /nfs/dbraw/zinc/12/51/23/175125123.db2.gz OFBMCYCVXLJYMG-HOTGVXAUSA-N 1 0 262.397 2.230 10 0 CEAERO CC[NH2+][C@@H](CN(C)CCOC)c1ccc(CC)cc1 ZINC000043916060 175125152 /nfs/dbraw/zinc/12/51/52/175125152.db2.gz UIYLJEQCBYLPSH-INIZCTEOSA-N 1 0 264.413 2.478 10 0 CEAERO CCC[NH2+][C@H](CN(C)CCOC)c1ccc2c(c1)OCO2 ZINC000043916331 175125245 /nfs/dbraw/zinc/12/52/45/175125245.db2.gz NFFCJDBHGRNDRK-CQSZACIVSA-N 1 0 294.395 2.034 10 0 CEAERO CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N1CCOCC1(C)C ZINC000043916942 175125541 /nfs/dbraw/zinc/12/55/41/175125541.db2.gz JMPMZWVBERGFMW-IHRRRGAJSA-N 1 0 254.418 2.264 10 0 CEAERO CCOc1ccccc1[C@H](CN1CCOCC1(C)C)[NH2+]C ZINC000043916778 175125724 /nfs/dbraw/zinc/12/57/24/175125724.db2.gz FRKOUZUQPRJAFO-HNNXBMFYSA-N 1 0 292.423 2.457 10 0 CEAERO C[NH2+][C@H](c1ccccc1)[C@H](C)N(C)C[C@@H]1CCCO1 ZINC000043965763 175126885 /nfs/dbraw/zinc/12/68/85/175126885.db2.gz PWRBYDVJNCEWNN-BPUTZDHNSA-N 1 0 262.397 2.446 10 0 CEAERO CC[NH2+][C@H](CN(C)C[C@@H]1CCCO1)c1ccccc1 ZINC000043966017 175127068 /nfs/dbraw/zinc/12/70/68/175127068.db2.gz PEVZTEIBAPDBPG-JKSUJKDBSA-N 1 0 262.397 2.448 10 0 CEAERO C[NH2+][C@@H](c1ccc(OC)cc1)[C@H](C)N(C)C[C@@H]1CCCO1 ZINC000043965893 175127080 /nfs/dbraw/zinc/12/70/80/175127080.db2.gz LZKGFCTUWIQTGC-RRQGHBQHSA-N 1 0 292.423 2.455 10 0 CEAERO CC[NH2+][C@H]1CCCC[C@@H]1N(CC)C[C@@H]1CCCO1 ZINC000043966878 175128085 /nfs/dbraw/zinc/12/80/85/175128085.db2.gz UXDLSLZEOABBGR-KKUMJFAQSA-N 1 0 254.418 2.408 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2C[C@H]1N(C)Cc1cnn(C)c1 ZINC000043967260 175128554 /nfs/dbraw/zinc/12/85/54/175128554.db2.gz XQAMVTPXSZKHKU-SJORKVTESA-N 1 0 284.407 2.127 10 0 CEAERO CCN(CCOC)C[C@@H]([NH2+]C)c1ccc(C)cc1 ZINC000043968468 175129553 /nfs/dbraw/zinc/12/95/53/175129553.db2.gz BSZRPSHBZUTWHV-OAHLLOKOSA-N 1 0 250.386 2.224 10 0 CEAERO C[C@H]1C[C@H](C)C[NH+]([C@@H]2COc3ccccc3[C@@H]2O)C1 ZINC000044113776 175141028 /nfs/dbraw/zinc/14/10/28/175141028.db2.gz BTWVWUFBRRLAKJ-GMZLATJGSA-N 1 0 261.365 2.459 10 0 CEAERO CCOc1ccc([C@H](O)C[N@H+](C)C2CCN(C)CC2)cc1 ZINC000044121160 175142624 /nfs/dbraw/zinc/14/26/24/175142624.db2.gz IWOFGWJBZZSEMO-QGZVFWFLSA-N 1 0 292.423 2.145 10 0 CEAERO COc1cc(OC)c(OC)cc1CN1CCCC[C@@H]1C[NH3+] ZINC000044539935 175200559 /nfs/dbraw/zinc/20/05/59/175200559.db2.gz QXCKPHKJXMDLMX-CYBMUJFWSA-N 1 0 294.395 2.026 10 0 CEAERO C[C@H](Oc1ccc2c(c1)CCC[C@H]2[NH3+])C(=O)N1CCCC1 ZINC000044744897 175241185 /nfs/dbraw/zinc/24/11/85/175241185.db2.gz ZQGATFIUPGNCLS-BLLLJJGKSA-N 1 0 288.391 2.412 10 0 CEAERO C[NH2+][C@H]1CCCc2cc(O[C@H](C)C(=O)N(C)C)ccc21 ZINC000044745286 175241513 /nfs/dbraw/zinc/24/15/13/175241513.db2.gz UNUMNCZFYQPTAZ-ABAIWWIYSA-N 1 0 276.380 2.139 10 0 CEAERO Oc1ccc2c(c1)CCC[C@H]2[NH2+]CCn1ccnc1 ZINC000044747497 175243034 /nfs/dbraw/zinc/24/30/34/175243034.db2.gz AORNOAYLLOXKTI-OAHLLOKOSA-N 1 0 257.337 2.256 10 0 CEAERO NC(=O)c1ccc(NC(=O)C2(C[NH3+])CCCCCC2)cc1 ZINC000044762177 175246514 /nfs/dbraw/zinc/24/65/14/175246514.db2.gz GYGSUCJZVAGOFZ-UHFFFAOYSA-N 1 0 289.379 2.023 10 0 CEAERO CN(Cc1ccncc1)C(=O)C1(C[NH3+])CCCCCC1 ZINC000044762807 175246786 /nfs/dbraw/zinc/24/67/86/175246786.db2.gz JUBRQAOZHAVQPF-UHFFFAOYSA-N 1 0 275.396 2.339 10 0 CEAERO [NH3+]CC1(C(=O)Nc2ccc(CCO)cc2)CCCCCC1 ZINC000044763200 175246980 /nfs/dbraw/zinc/24/69/80/175246980.db2.gz BVAFZMGTLMMDDK-UHFFFAOYSA-N 1 0 290.407 2.459 10 0 CEAERO [NH3+]CC1(C(=O)NCCc2ccco2)CCCCCC1 ZINC000044763627 175247348 /nfs/dbraw/zinc/24/73/48/175247348.db2.gz GIECCWXNJMYROB-UHFFFAOYSA-N 1 0 264.369 2.238 10 0 CEAERO CCC(CC)(C(N)=S)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC000044778382 175252250 /nfs/dbraw/zinc/25/22/50/175252250.db2.gz YHEXXAULMSUZKR-UHFFFAOYSA-N 1 0 299.484 2.022 10 0 CEAERO CC(C)C[C@@H](C)NC(=O)[C@H](C[NH3+])Cc1ccccc1 ZINC000044800910 175255470 /nfs/dbraw/zinc/25/54/70/175255470.db2.gz RALUCLGIHUBSCN-HIFRSBDPSA-N 1 0 262.397 2.355 10 0 CEAERO CC(C)[C@H](C)N(C)C(=O)[C@H](C[NH3+])Cc1ccccc1 ZINC000044801998 175255761 /nfs/dbraw/zinc/25/57/61/175255761.db2.gz VUFYFWTTYVLUGK-ZFWWWQNUSA-N 1 0 262.397 2.307 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000044806212 175256612 /nfs/dbraw/zinc/25/66/12/175256612.db2.gz DJAJGIWSOFOXFX-JQWIXIFHSA-N 1 0 252.333 2.378 10 0 CEAERO CC(C)[C@@H](C[NH3+])C(=O)N(Cc1ccco1)C1CC1 ZINC000044808012 175257170 /nfs/dbraw/zinc/25/71/70/175257170.db2.gz OGENDITWCDVQLW-CYBMUJFWSA-N 1 0 250.342 2.002 10 0 CEAERO CCN(C(=O)C[C@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000044880663 175269523 /nfs/dbraw/zinc/26/95/23/175269523.db2.gz UQQUITZKAPKVBB-GFCCVEGCSA-N 1 0 250.317 2.321 10 0 CEAERO COc1ncnc(OC)c1C[NH2+]C1(C)CCCCC1 ZINC000045042672 175294932 /nfs/dbraw/zinc/29/49/32/175294932.db2.gz RSESWFHQHPBWSM-UHFFFAOYSA-N 1 0 265.357 2.306 10 0 CEAERO C[N@H+](C[C@@H](N)c1ccc2c(c1)OCO2)CC(C)(C)C ZINC000045072653 175302033 /nfs/dbraw/zinc/30/20/33/175302033.db2.gz MJOJPQNPUDQWDG-GFCCVEGCSA-N 1 0 264.369 2.393 10 0 CEAERO CCCNC(=O)CC[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000045073080 175302797 /nfs/dbraw/zinc/30/27/97/175302797.db2.gz KWDANNMHTNFHFX-OAHLLOKOSA-N 1 0 276.380 2.276 10 0 CEAERO C[N@H+](CC(=O)Nc1ccccc1C(N)=S)CC(C)(C)C ZINC000045073779 175302801 /nfs/dbraw/zinc/30/28/01/175302801.db2.gz XEVJRMPLKVNIIP-UHFFFAOYSA-N 1 0 293.436 2.237 10 0 CEAERO N[C@H]1CCC2(C[C@H]1[N@@H+]1CCC[C@@H]1C1CCCC1)OCCO2 ZINC000045073202 175302821 /nfs/dbraw/zinc/30/28/21/175302821.db2.gz QIAFGCBLGMBGIJ-ARFHVFGLSA-N 1 0 294.439 2.264 10 0 CEAERO CCn1nc(C)c([C@H](C)NCCC[NH+](C)C)c1C ZINC000045167687 175319223 /nfs/dbraw/zinc/31/92/23/175319223.db2.gz XLDRCJVDEHMOSO-NSHDSACASA-N 1 0 252.406 2.122 10 0 CEAERO Cc1nn(C)c(C)c1[C@H](C)[NH2+]C[C@H](O)c1ccccc1 ZINC000045169700 175320405 /nfs/dbraw/zinc/32/04/05/175320405.db2.gz YGGJATLJNZDVIR-NHYWBVRUSA-N 1 0 273.380 2.421 10 0 CEAERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2c(C)nn(C)c2C)C1 ZINC000045172086 175321747 /nfs/dbraw/zinc/32/17/47/175321747.db2.gz YRNHFFWNUGLLOL-SMDDNHRTSA-N 1 0 264.417 2.172 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+][C@H]2CCCN(C)C2)c1C ZINC000045172152 175321929 /nfs/dbraw/zinc/32/19/29/175321929.db2.gz LFOAMOBFKJAJPJ-RISCZKNCSA-N 1 0 264.417 2.265 10 0 CEAERO CCN(C[C@](C)([NH2+]C)C(N)=O)c1cccc2ccccc21 ZINC000045222926 175330644 /nfs/dbraw/zinc/33/06/44/175330644.db2.gz YYQOKQPSYOGRQD-KRWDZBQOSA-N 1 0 285.391 2.130 10 0 CEAERO CCCC[N@H+](CC)CC[C@@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000045223357 175331377 /nfs/dbraw/zinc/33/13/77/175331377.db2.gz GENGBMVDRRZLLB-CQSZACIVSA-N 1 0 256.390 2.094 10 0 CEAERO CCC[NH2+][C@@](C)(CC[N@@H+]1CCCC[C@@H]1C)C(=O)[O-] ZINC000045227030 175333641 /nfs/dbraw/zinc/33/36/41/175333641.db2.gz FXYWKYUUJOCCFI-JSGCOSHPSA-N 1 0 256.390 2.094 10 0 CEAERO CCC[NH2+][C@](C)(CC[NH+]1[C@@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000045231867 175335755 /nfs/dbraw/zinc/33/57/55/175335755.db2.gz FUSOXYJGYXOKBH-KCQAQPDRSA-N 1 0 270.417 2.482 10 0 CEAERO CCN[C@](C)(CC[NH+]1[C@@H](C)CCC[C@@H]1C)C(=O)OC ZINC000045231925 175335779 /nfs/dbraw/zinc/33/57/79/175335779.db2.gz SGSQGPGTNBRFOV-KCQAQPDRSA-N 1 0 270.417 2.181 10 0 CEAERO CCCN[C@@](C)(C[N@H+](C)[C@@H](C)CC)C(=O)OCC ZINC000045263883 175337603 /nfs/dbraw/zinc/33/76/03/175337603.db2.gz NZQSZQYKPFMEFF-JSGCOSHPSA-N 1 0 258.406 2.038 10 0 CEAERO CC[N@H+](C[C@](NC)(C(=O)OC)c1ccccc1)C(C)C ZINC000045265383 175338396 /nfs/dbraw/zinc/33/83/96/175338396.db2.gz RHPDWFJNYIBDJQ-MRXNPFEDSA-N 1 0 278.396 2.005 10 0 CEAERO CCCN[C@](C)(CC[N@H+](C)C[C@@H](C)CC)C(=O)OC ZINC000045268477 175340636 /nfs/dbraw/zinc/34/06/36/175340636.db2.gz OHRPXUKAPLDYCW-DZGCQCFKSA-N 1 0 272.433 2.286 10 0 CEAERO CCCCC[N@H+](C)CC[C@](C)(NCC)C(=O)OCC ZINC000045268234 175340830 /nfs/dbraw/zinc/34/08/30/175340830.db2.gz RLVNFZZLZMGPSE-HNNXBMFYSA-N 1 0 272.433 2.430 10 0 CEAERO CCC[NH2+][C@](C)(CC[N@H+](C)C[C@@H](C)CC)C(=O)[O-] ZINC000045268428 175340912 /nfs/dbraw/zinc/34/09/12/175340912.db2.gz VVHJDTKTOBPDPA-GXTWGEPZSA-N 1 0 258.406 2.197 10 0 CEAERO CC[N@H+](CC[C@](C)(NC1CC1)C(=O)OC)C1CCCC1 ZINC000045269333 175341861 /nfs/dbraw/zinc/34/18/61/175341861.db2.gz IGVFADNHILVYIF-INIZCTEOSA-N 1 0 282.428 2.325 10 0 CEAERO CCN(CC[C@@](C)([NH2+]C1CC1)C(N)=O)c1cccc(C)c1 ZINC000045273264 175343718 /nfs/dbraw/zinc/34/37/18/175343718.db2.gz WGODUGGDTCTMHC-QGZVFWFLSA-N 1 0 289.423 2.207 10 0 CEAERO CCOC(=O)[C@@](C)(N)CC[NH+](CC(C)C)CC(C)C ZINC000045273831 175344289 /nfs/dbraw/zinc/34/42/89/175344289.db2.gz QMODKMYWORBWCP-HNNXBMFYSA-N 1 0 272.433 2.271 10 0 CEAERO CN[C@@](C)(CC[NH+](CC(C)C)CC(C)C)C(=O)OC ZINC000045273835 175344412 /nfs/dbraw/zinc/34/44/12/175344412.db2.gz CAUKONDOIVJNOE-HNNXBMFYSA-N 1 0 272.433 2.142 10 0 CEAERO CC[NH2+][C@@](C)(CC[N@H+](C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000045274769 175345019 /nfs/dbraw/zinc/34/50/19/175345019.db2.gz UGXGESJSFYZFDH-FZMZJTMJSA-N 1 0 258.406 2.196 10 0 CEAERO CCC[N@H+](CC1CC1)C[C@](N)(C(=O)OC)c1ccccc1 ZINC000045276754 175346735 /nfs/dbraw/zinc/34/67/35/175346735.db2.gz DHKLXBOFCNLXBT-QGZVFWFLSA-N 1 0 290.407 2.136 10 0 CEAERO CCN[C@@](C)(C[N@H+](CC)CC(CC)CC)C(=O)OC ZINC000045277780 175347410 /nfs/dbraw/zinc/34/74/10/175347410.db2.gz RIFXVBJFYGUCGZ-HNNXBMFYSA-N 1 0 272.433 2.286 10 0 CEAERO CCCN[C@](C)(CC[N@H+](C)CC(C)(C)C)C(=O)OC ZINC000045279386 175349125 /nfs/dbraw/zinc/34/91/25/175349125.db2.gz IYZNAGLCDJRAKO-OAHLLOKOSA-N 1 0 272.433 2.286 10 0 CEAERO CC[NH2+][C@@](C)(CC[N@H+](C)C1CCC(C)CC1)C(=O)[O-] ZINC000045280576 175350179 /nfs/dbraw/zinc/35/01/79/175350179.db2.gz VMHYBTRIJUNUTO-PIMMBPRGSA-N 1 0 270.417 2.340 10 0 CEAERO CCCN[C@@](C)(C[NH+]1CCC(CC)CC1)C(=O)OC ZINC000045281385 175351894 /nfs/dbraw/zinc/35/18/94/175351894.db2.gz YFOHTVDLFMDRPZ-HNNXBMFYSA-N 1 0 270.417 2.040 10 0 CEAERO COC(=O)[C@@](C)(C[N@H+](C)CC1CCCCC1)NC1CC1 ZINC000045281594 175352714 /nfs/dbraw/zinc/35/27/14/175352714.db2.gz MCNHVNOBRIDONJ-MRXNPFEDSA-N 1 0 282.428 2.182 10 0 CEAERO CCCC[N@H+](C[C@](N)(C(N)=O)c1ccccc1)[C@@H](C)CC ZINC000045282486 175352840 /nfs/dbraw/zinc/35/28/40/175352840.db2.gz SPBPUYAATCKXRI-WMLDXEAASA-N 1 0 291.439 2.227 10 0 CEAERO CCN(CCC[C@@](C)([NH3+])C(=O)OC)c1ccccc1C ZINC000045369919 175363455 /nfs/dbraw/zinc/36/34/55/175363455.db2.gz ULIYGKHNPTVJRZ-MRXNPFEDSA-N 1 0 278.396 2.492 10 0 CEAERO CCCC[N@H+](CC)CCC[C@@](C)([NH2+]CC)C(=O)[O-] ZINC000045370592 175364365 /nfs/dbraw/zinc/36/43/65/175364365.db2.gz MNXKFIGHHMKFOB-CQSZACIVSA-N 1 0 258.406 2.341 10 0 CEAERO C[NH2+][C@@](C)(CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)C(=O)[O-] ZINC000045373212 175364816 /nfs/dbraw/zinc/36/48/16/175364816.db2.gz GORCLAIBJQKNGU-NFAWXSAZSA-N 1 0 270.417 2.197 10 0 CEAERO CN[C@](C)(CCCC[NH+]1CCC(C)CC1)C(=O)OC ZINC000045374786 175365349 /nfs/dbraw/zinc/36/53/49/175365349.db2.gz GZIDBVCYNYDFFA-OAHLLOKOSA-N 1 0 270.417 2.040 10 0 CEAERO C[NH2+][C@@](C)(CCC[N@H+](C)C1CCCCC1)C(=O)[O-] ZINC000045379104 175368351 /nfs/dbraw/zinc/36/83/51/175368351.db2.gz UASLOFYHFCTURP-AWEZNQCLSA-N 1 0 256.390 2.094 10 0 CEAERO CC[NH2+][C@@](C)(CCC[N@H+]1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000045379646 175369239 /nfs/dbraw/zinc/36/92/39/175369239.db2.gz XXWDPMGOBQYSAT-GUTXKFCHSA-N 1 0 270.417 2.482 10 0 CEAERO CC[NH2+][C@](C)(CCC[NH+]1[C@@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000045379652 175369268 /nfs/dbraw/zinc/36/92/68/175369268.db2.gz XXWDPMGOBQYSAT-KCQAQPDRSA-N 1 0 270.417 2.482 10 0 CEAERO CCN[C@](C)(CCC[N@H+](CC)C(C)C)C(=O)OCC ZINC000045383843 175370763 /nfs/dbraw/zinc/37/07/63/175370763.db2.gz RKBJOTDBUBGWBX-OAHLLOKOSA-N 1 0 272.433 2.428 10 0 CEAERO CC[N@H+](CCC[C@](C)([NH2+]C1CC1)C(=O)[O-])C(C)C ZINC000045383782 175371037 /nfs/dbraw/zinc/37/10/37/175371037.db2.gz VGRPQXLNQUXISF-AWEZNQCLSA-N 1 0 256.390 2.092 10 0 CEAERO CC[NH2+][C@](C)(CCCC[N@H+](CC)C(C)C)C(=O)[O-] ZINC000045383598 175371349 /nfs/dbraw/zinc/37/13/49/175371349.db2.gz LHDJVFMBJGYYMI-CQSZACIVSA-N 1 0 258.406 2.340 10 0 CEAERO CCC[N@H+](C)CCC[C@@](C)(NC(C)C)C(=O)OC ZINC000045382392 175371579 /nfs/dbraw/zinc/37/15/79/175371579.db2.gz YDBVKASDNKNDHE-CQSZACIVSA-N 1 0 258.406 2.038 10 0 CEAERO CCCN[C@@H](C[N@H+](CC)[C@@H](C)CC)C(=O)OCC ZINC000045385122 175372160 /nfs/dbraw/zinc/37/21/60/175372160.db2.gz FFWDFDJHNBWHHX-STQMWFEESA-N 1 0 258.406 2.038 10 0 CEAERO CCC[N@H+](CC)CCC[C@@](C)(NCC)C(=O)OCC ZINC000045387086 175372585 /nfs/dbraw/zinc/37/25/85/175372585.db2.gz KBWQPTIYNTWIPB-OAHLLOKOSA-N 1 0 272.433 2.430 10 0 CEAERO CC[NH2+][C@](C)(CCC[N@H+](C)C(CC)CC)C(=O)[O-] ZINC000045391522 175374520 /nfs/dbraw/zinc/37/45/20/175374520.db2.gz NNKOWSIXSMEMFT-CQSZACIVSA-N 1 0 258.406 2.340 10 0 CEAERO CCCC[N@H+](CCC[C@@](C)([NH2+]CC)C(=O)[O-])C1CC1 ZINC000045421754 175380507 /nfs/dbraw/zinc/38/05/07/175380507.db2.gz NEFAMMSGHHRTNQ-OAHLLOKOSA-N 1 0 270.417 2.484 10 0 CEAERO CCOc1cc(C[NH2+]CCc2c[nH]cn2)ccc1OC ZINC000045946284 175388196 /nfs/dbraw/zinc/38/81/96/175388196.db2.gz IJRNLTHSAGPKGN-UHFFFAOYSA-N 1 0 275.352 2.149 10 0 CEAERO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1cnc2ccsc2c1 ZINC000658243534 415278700 /nfs/dbraw/zinc/27/87/00/415278700.db2.gz OFKMWADEDDFZRA-MNOVXSKESA-N 1 0 289.404 2.425 10 0 CEAERO CN1C[C@H](C[NH2+][C@H]2CCCc3ccccc32)CC1=O ZINC000658245827 415280305 /nfs/dbraw/zinc/28/03/05/415280305.db2.gz WBMCYCHKFREQIF-WFASDCNBSA-N 1 0 258.365 2.132 10 0 CEAERO CC(C)n1ccnc1C[N@@H+]1CCC[C@H](C)[C@@H]1CCO ZINC000661491168 415288686 /nfs/dbraw/zinc/28/86/86/415288686.db2.gz FXKXBYYTGLZIHR-KBPBESRZSA-N 1 0 265.401 2.447 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)NCc1ccccc1Cl ZINC000054305589 175557121 /nfs/dbraw/zinc/55/71/21/175557121.db2.gz IWXUCSPQWGQUEK-LLVKDONJSA-N 1 0 266.772 2.346 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH2+]C1CC(CO)C1)CCC2 ZINC000658352450 415333269 /nfs/dbraw/zinc/33/32/69/415333269.db2.gz VXIONBSBBHXALK-IJGSQOGDSA-N 1 0 261.365 2.433 10 0 CEAERO COc1cc([C@@H](C)[NH2+]C2CC(CO)C2)ccc1F ZINC000658357197 415336844 /nfs/dbraw/zinc/33/68/44/415336844.db2.gz SVBQFCUJRLGJBS-GRZMOONWSA-N 1 0 253.317 2.256 10 0 CEAERO CCCCOC[C@@H](O)C[N@@H+]1CCC[C@H](CCF)C1 ZINC000661688329 415400599 /nfs/dbraw/zinc/40/05/99/415400599.db2.gz FRUIHFVEPZJBTM-KGLIPLIRSA-N 1 0 261.381 2.236 10 0 CEAERO CCC[C@]1(C(=O)NCCc2ccc(OC)cc2)CC[NH2+]C1 ZINC000062888250 175676550 /nfs/dbraw/zinc/67/65/50/175676550.db2.gz IUCHJYROUFCZEH-KRWDZBQOSA-N 1 0 290.407 2.134 10 0 CEAERO CCC[C@@]1(C(=O)Nc2ccnn2C(C)C)CC[NH2+]C1 ZINC000062888085 175676683 /nfs/dbraw/zinc/67/66/83/175676683.db2.gz IQZYONMTGBEVFO-CQSZACIVSA-N 1 0 264.373 2.182 10 0 CEAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C3CCC4(CC4)CC3)C[C@@H]12 ZINC000659305275 415502337 /nfs/dbraw/zinc/50/23/37/415502337.db2.gz GSEVOIFTWJRUTB-BFHYXJOUSA-N 1 0 262.397 2.153 10 0 CEAERO CC(C)[C@@H]1C[C@@](CO)([NH2+]C2CCCCC2)CCO1 ZINC000070371798 175898944 /nfs/dbraw/zinc/89/89/44/175898944.db2.gz TUKLHJMQGYFZSU-GJZGRUSLSA-N 1 0 255.402 2.475 10 0 CEAERO [NH3+][C@@H](c1ccc2[nH]c(=O)[nH]c2c1)[C@H]1COc2ccccc21 ZINC000070389918 175906033 /nfs/dbraw/zinc/90/60/33/175906033.db2.gz YNTLWLOCXGXOGB-NHYWBVRUSA-N 1 0 281.315 2.032 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)c1coc2ccccc12 ZINC000070392851 175907739 /nfs/dbraw/zinc/90/77/39/175907739.db2.gz BABPBNNPBCSUQH-QWHCGFSZSA-N 1 0 258.321 2.433 10 0 CEAERO C[NH2+][C@H](Cc1nc(C)cs1)c1c(C)ccnc1N ZINC000070403417 175911516 /nfs/dbraw/zinc/91/15/16/175911516.db2.gz MSWAJWSGUPXRHM-SNVBAGLBSA-N 1 0 262.382 2.240 10 0 CEAERO CCC[NH2+][C@H](Cc1ccncc1)Cc1ccnc(N)c1 ZINC000070403352 175911869 /nfs/dbraw/zinc/91/18/69/175911869.db2.gz SOJDMRAPQYZDKC-OAHLLOKOSA-N 1 0 270.380 2.212 10 0 CEAERO CC(C)(C)c1cc(NN)[nH+]c([C@H]2C[C@H]3CC[C@@H]2O3)n1 ZINC000070428328 175924041 /nfs/dbraw/zinc/92/40/41/175924041.db2.gz KRUGLOHAUQHUDN-UTLUCORTSA-N 1 0 262.357 2.095 10 0 CEAERO [NH3+]Cc1ccc(O[C@H]2CCC[C@@H]2O)c(Br)c1 ZINC000070503589 175958518 /nfs/dbraw/zinc/95/85/18/175958518.db2.gz MEUBJEHPJBSZLT-JQWIXIFHSA-N 1 0 286.169 2.200 10 0 CEAERO C[C@@H](C[C@@](C)(CO)[NH2+]C1CC1)n1ccc(C(F)(F)F)n1 ZINC000070516105 175965150 /nfs/dbraw/zinc/96/51/50/175965150.db2.gz GGLJDUZMMOYNJX-CABZTGNLSA-N 1 0 291.317 2.356 10 0 CEAERO CC[NH2+]C[C@@H](C)CN1C(=O)C(=O)c2c1c(C)ccc2C ZINC000070527408 175971368 /nfs/dbraw/zinc/97/13/68/175971368.db2.gz URAPTQGWPNWBIH-SNVBAGLBSA-N 1 0 274.364 2.078 10 0 CEAERO CC[NH2+]C[C@@H](C)Cn1cnc2sc(C)c(C)c2c1=O ZINC000070527182 175971486 /nfs/dbraw/zinc/97/14/86/175971486.db2.gz DHYQUHADROKXFM-SECBINFHSA-N 1 0 279.409 2.320 10 0 CEAERO C[C@H]1CCC[C@@H](CC[NH2+]CC(=O)N2CCCC2)C1 ZINC000070539016 175976309 /nfs/dbraw/zinc/97/63/09/175976309.db2.gz HPAHTAZABCRFEE-KBPBESRZSA-N 1 0 252.402 2.415 10 0 CEAERO [NH3+]CCc1ccc(C(=O)Nc2cccnc2Cl)cc1 ZINC000070541848 175977380 /nfs/dbraw/zinc/97/73/80/175977380.db2.gz URGKWFFNXAIAED-UHFFFAOYSA-N 1 0 275.739 2.489 10 0 CEAERO [NH3+]Cc1ccnn1Cc1sccc1Br ZINC000070708285 176002463 /nfs/dbraw/zinc/00/24/63/176002463.db2.gz YFUYBVYDERMGEK-UHFFFAOYSA-N 1 0 272.171 2.214 10 0 CEAERO CN(Cc1nc(Cl)ccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000070896125 176010420 /nfs/dbraw/zinc/01/04/20/176010420.db2.gz APCZZNRFHLEQER-MRVPVSSYSA-N 1 0 260.168 2.182 10 0 CEAERO CNC(=O)[C@@H](CC(C)C)[NH2+]Cc1cccc2[nH]ccc21 ZINC000070939168 176013100 /nfs/dbraw/zinc/01/31/00/176013100.db2.gz NOUQNZLUDUBGSY-OAHLLOKOSA-N 1 0 273.380 2.418 10 0 CEAERO COc1cccc(NC(=O)N(CC[NH3+])C2CCCC2)c1 ZINC000070943731 176016453 /nfs/dbraw/zinc/01/64/53/176016453.db2.gz OHZUAYVMINUOPY-UHFFFAOYSA-N 1 0 277.368 2.430 10 0 CEAERO CC(C)N1C(=O)CC[C@@H]([NH3+])[C@H]1c1cccc(F)c1F ZINC000070987013 176018390 /nfs/dbraw/zinc/01/83/90/176018390.db2.gz FFKABRZRJDQVRK-BXUZGUMPSA-N 1 0 268.307 2.364 10 0 CEAERO COC(=O)[C@@H](C)C[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000071030888 176021773 /nfs/dbraw/zinc/02/17/73/176021773.db2.gz XXVKKPWJKSDCQZ-SWLSCSKDSA-N 1 0 277.364 2.041 10 0 CEAERO OC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1OCCc2ccccc21 ZINC000071030887 176022036 /nfs/dbraw/zinc/02/20/36/176022036.db2.gz SIDAZGIWELQQEQ-MYSGWJLTSA-N 1 0 273.376 2.288 10 0 CEAERO CC[NH2+][C@@H]1CCCN([C@H](C)Cc2ccc(F)cc2)C1=O ZINC000071031275 176022719 /nfs/dbraw/zinc/02/27/19/176022719.db2.gz JZBDXBJCUQRORO-IUODEOHRSA-N 1 0 278.371 2.357 10 0 CEAERO CC[NH2+][C@H]1CCCN([C@H](C)c2ccccc2F)C1=O ZINC000071031923 176022924 /nfs/dbraw/zinc/02/29/24/176022924.db2.gz ARZSASWYJSHKDV-RISCZKNCSA-N 1 0 264.344 2.487 10 0 CEAERO CC(C)[NH2+][C@H]1CCCN(CCc2cccs2)C1=O ZINC000071033450 176023876 /nfs/dbraw/zinc/02/38/76/176023876.db2.gz VALJRLNJJSMGFE-ZDUSSCGKSA-N 1 0 266.410 2.280 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN(c2nc(C(C)C)cs2)C1=O ZINC000071033782 176024463 /nfs/dbraw/zinc/02/44/63/176024463.db2.gz SXTUNHDBCDODAF-SNVBAGLBSA-N 1 0 267.398 2.370 10 0 CEAERO C[NH2+][C@H]1CCCN([C@H](C)c2cc(C)oc2C)C1=O ZINC000071035194 176024983 /nfs/dbraw/zinc/02/49/83/176024983.db2.gz DZCJPZPTXVSLLZ-MFKMUULPSA-N 1 0 250.342 2.168 10 0 CEAERO C[NH2+][C@@H]1CCCN(CCc2ccc(Cl)cc2)C1=O ZINC000071034433 176025037 /nfs/dbraw/zinc/02/50/37/176025037.db2.gz XGWVPEDNHRXEQL-CYBMUJFWSA-N 1 0 266.772 2.093 10 0 CEAERO CCC[NH2+][C@@H]1CCCN([C@@H](C)c2cccnc2)C1=O ZINC000071040055 176027162 /nfs/dbraw/zinc/02/71/62/176027162.db2.gz ZTAZKJJBYGLLJG-GXTWGEPZSA-N 1 0 261.369 2.133 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN([C@H](C)c2cccs2)C1=O ZINC000071040242 176027557 /nfs/dbraw/zinc/02/75/57/176027557.db2.gz DCJYNXCZTBLZKI-GHMZBOCLSA-N 1 0 252.383 2.408 10 0 CEAERO Cc1ccc(CN2CC[C@H]([NH2+]C(C)C)C2=O)s1 ZINC000071042012 176028664 /nfs/dbraw/zinc/02/86/64/176028664.db2.gz XXUVEXCESNZEMM-LBPRGKRZSA-N 1 0 252.383 2.155 10 0 CEAERO COc1ccc(N2CCC[C@H]([NH2+]C3CC3)C2=O)c(C)c1 ZINC000071042633 176028743 /nfs/dbraw/zinc/02/87/43/176028743.db2.gz FAWZKFADMKLYPO-AWEZNQCLSA-N 1 0 274.364 2.251 10 0 CEAERO CC(C)[NH2+][C@H]1CCN(c2cc(F)cc(F)c2F)C1=O ZINC000071042846 176029409 /nfs/dbraw/zinc/02/94/09/176029409.db2.gz HIAYPOJHWCLZRA-JTQLQIEISA-N 1 0 272.270 2.207 10 0 CEAERO CC[NH2+][C@@](C)(CCO[C@@H]1CCC[C@@H](CC)C1)C(N)=O ZINC000071133974 176035734 /nfs/dbraw/zinc/03/57/34/176035734.db2.gz SYMLLDTUBREUMJ-NFAWXSAZSA-N 1 0 270.417 2.215 10 0 CEAERO CC[NH2+][C@H](c1ccc2c(c1)C(=O)N(C)C(=O)C2)[C@@H]1C[C@@H]1C ZINC000071139492 176037877 /nfs/dbraw/zinc/03/78/77/176037877.db2.gz MJEICDWFECGDKZ-OWRWGESLSA-N 1 0 286.375 2.148 10 0 CEAERO CN1C(=O)Cc2ccc([C@H]([NH3+])C3CCCC3)cc2C1=O ZINC000071139393 176037934 /nfs/dbraw/zinc/03/79/34/176037934.db2.gz OACVLWXBIDGDNH-OAHLLOKOSA-N 1 0 272.348 2.031 10 0 CEAERO C[NH2+]C[C@@H]1CCN(CC(=O)N(C(C)C)C2CCCCC2)C1 ZINC000071145255 176042211 /nfs/dbraw/zinc/04/22/11/176042211.db2.gz BAIJJDUYHMTYLK-HNNXBMFYSA-N 1 0 295.471 2.097 10 0 CEAERO CC[NH2+][C@H](CS(C)(=O)=O)[C@H]1CCC[C@@H](CC)C1 ZINC000071156316 176045724 /nfs/dbraw/zinc/04/57/24/176045724.db2.gz CXUPBCIFRUEGEK-FRRDWIJNSA-N 1 0 261.431 2.226 10 0 CEAERO CC[C@@H]1CCCC[C@]1(CN)[N@H+](C)C[C@@H]1CCCO1 ZINC000071161820 176046142 /nfs/dbraw/zinc/04/61/42/176046142.db2.gz CNYJCIYNKTUOHM-QLFBSQMISA-N 1 0 254.418 2.395 10 0 CEAERO CC[C@@H]1CCCC[C@@]1(NCC[NH+](CC)CC)C(=O)OC ZINC000071162668 176046780 /nfs/dbraw/zinc/04/67/80/176046780.db2.gz VFMXSHKDRAPFBF-ZBFHGGJFSA-N 1 0 284.444 2.430 10 0 CEAERO CCOC(=O)[C@@]1(NCC[NH+](C)C)CCCC[C@H]1CC ZINC000071162794 176047067 /nfs/dbraw/zinc/04/70/67/176047067.db2.gz NBPQENWCZSGOBJ-UKRRQHHQSA-N 1 0 270.417 2.040 10 0 CEAERO COc1ccc(C[C@@](C)([NH3+])c2noc(C3CC3)n2)cc1 ZINC000071169891 176050250 /nfs/dbraw/zinc/05/02/50/176050250.db2.gz QWHPTQDPNZLCGB-OAHLLOKOSA-N 1 0 273.336 2.372 10 0 CEAERO COc1cncc(N[C@@H](C)c2ccc(C[NH3+])cc2)n1 ZINC000071175824 176054464 /nfs/dbraw/zinc/05/44/64/176054464.db2.gz OAVFYAQFFVCQQG-JTQLQIEISA-N 1 0 258.325 2.117 10 0 CEAERO CCCOc1cncc(NC(CC)(CC)C[NH3+])n1 ZINC000071176312 176054857 /nfs/dbraw/zinc/05/48/57/176054857.db2.gz QXYZBGXXYOKDIC-UHFFFAOYSA-N 1 0 252.362 2.195 10 0 CEAERO CC(C)C[NH2+]C[C@H]1CCCN1c1cncc(OC(C)C)n1 ZINC000071176860 176055324 /nfs/dbraw/zinc/05/53/24/176055324.db2.gz YOLIKDAJFXPUQM-CQSZACIVSA-N 1 0 292.427 2.478 10 0 CEAERO CCCOc1cncc(N[C@H](C[NH3+])c2ccccc2)n1 ZINC000071177436 176055338 /nfs/dbraw/zinc/05/53/38/176055338.db2.gz NUFIIWDVNGLNRU-CYBMUJFWSA-N 1 0 272.352 2.377 10 0 CEAERO [NH3+]Cc1cnc(O[C@@H]2CCCc3ccccc32)cn1 ZINC000071178318 176055607 /nfs/dbraw/zinc/05/56/07/176055607.db2.gz VGEAJZFMVHVEKH-CQSZACIVSA-N 1 0 255.321 2.392 10 0 CEAERO C[NH2+][C@@H](C)c1cc(Cl)ccc1O[C@@H]1CCN(C)C1=O ZINC000071183086 176058352 /nfs/dbraw/zinc/05/83/52/176058352.db2.gz XDIURKZKOPLBQB-TVQRCGJNSA-N 1 0 282.771 2.230 10 0 CEAERO CC[NH2+]Cc1ccc(O[C@H]2CCN(C)C2=O)c(Cl)c1 ZINC000071183063 176058427 /nfs/dbraw/zinc/05/84/27/176058427.db2.gz FUDTUHHIAWGJGH-ZDUSSCGKSA-N 1 0 282.771 2.059 10 0 CEAERO CCC[NH2+][C@H]1CCc2c1cccc2O[C@H]1CCN(C)C1=O ZINC000071183211 176058442 /nfs/dbraw/zinc/05/84/42/176058442.db2.gz DYEDYJUJYUNHKQ-HOCLYGCPSA-N 1 0 288.391 2.283 10 0 CEAERO Cc1c(Cl)nnc(N(C)[C@H]2CCC[N@H+](C)C2)c1C ZINC000071187097 176060677 /nfs/dbraw/zinc/06/06/77/176060677.db2.gz PSDIVAOQHNEHCA-NSHDSACASA-N 1 0 268.792 2.277 10 0 CEAERO [NH3+]Cc1ccc(N[C@@H](CO)Cc2ccccc2)c(F)c1 ZINC000071187509 176060869 /nfs/dbraw/zinc/06/08/69/176060869.db2.gz ZVHZNMVPTHVBQL-CQSZACIVSA-N 1 0 274.339 2.300 10 0 CEAERO Cc1c(C)c(N2CCC[N@@H+]3CCC[C@@H]3C2)nnc1Cl ZINC000071187159 176060914 /nfs/dbraw/zinc/06/09/14/176060914.db2.gz HFXOYNFSIWZSRG-GFCCVEGCSA-N 1 0 280.803 2.421 10 0 CEAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cc(F)c(F)c(F)c1 ZINC000071189314 176064647 /nfs/dbraw/zinc/06/46/47/176064647.db2.gz CSHMEBZTZWXBOD-SECBINFHSA-N 1 0 286.297 2.128 10 0 CEAERO C[C@H](C(=O)c1ccc(F)c(F)c1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189984 176065178 /nfs/dbraw/zinc/06/51/78/176065178.db2.gz ZNHWIGQIFVLPPM-VXGBXAGGSA-N 1 0 296.361 2.420 10 0 CEAERO CN(C[C@H]1CC[N@H+](C)C1)c1nc(CO)cc2ccccc21 ZINC000071190293 176066227 /nfs/dbraw/zinc/06/62/27/176066227.db2.gz QUQTYMHLJDXPJR-ZDUSSCGKSA-N 1 0 285.391 2.115 10 0 CEAERO CN(C[C@H]1CC[N@H+](C)C1)c1ccc(Cl)cc1C(N)=S ZINC000071190377 176066361 /nfs/dbraw/zinc/06/63/61/176066361.db2.gz LEXVUYHDIQCZGS-JTQLQIEISA-N 1 0 297.855 2.362 10 0 CEAERO Cc1ccc(C)c([C@@H](O)CN(C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000071190680 176068461 /nfs/dbraw/zinc/06/84/61/176068461.db2.gz SHSXWRGXQXKVFW-WBVHZDCISA-N 1 0 276.424 2.220 10 0 CEAERO CC[C@@H]1CC[C@H](C(=O)[O-])[C@H]([N@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071192709 176074300 /nfs/dbraw/zinc/07/43/00/176074300.db2.gz JNMHNXBGLLVAHU-APIJFGDWSA-N 1 0 282.428 2.149 10 0 CEAERO CC[NH2+][C@@H]1CCCN(CCc2ccccc2F)C1 ZINC000071198508 176077033 /nfs/dbraw/zinc/07/70/33/176077033.db2.gz GLBYOZIPQMVBSF-CQSZACIVSA-N 1 0 250.361 2.442 10 0 CEAERO CC(C)[NH2+][C@H]1CCN(C[C@@H]2Cc3ccccc3O2)C1 ZINC000071199353 176077093 /nfs/dbraw/zinc/07/70/93/176077093.db2.gz WXWSXSWNUPRQPR-GJZGRUSLSA-N 1 0 260.381 2.062 10 0 CEAERO c1ccc2c(c1)CC[C@@H](N1CC[C@H]([NH2+]C3CC3)C1)C2 ZINC000071199371 176077284 /nfs/dbraw/zinc/07/72/84/176077284.db2.gz SLVGCIWDWFQXSW-DLBZAZTESA-N 1 0 256.393 2.370 10 0 CEAERO CCC[NH2+][C@H]1CCCN(CCOCC(F)(F)F)C1 ZINC000071199942 176077317 /nfs/dbraw/zinc/07/73/17/176077317.db2.gz UXGBKMGPMMFVGY-NSHDSACASA-N 1 0 268.323 2.029 10 0 CEAERO Cc1ncsc1CCOC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1C ZINC000071207732 176080759 /nfs/dbraw/zinc/08/07/59/176080759.db2.gz CLXYFKUJIXSQCK-IACUBPJLSA-N 1 0 298.452 2.150 10 0 CEAERO C[C@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000071209066 176081787 /nfs/dbraw/zinc/08/17/87/176081787.db2.gz MHXVXELUWHHLCO-PEDHHIEDSA-N 1 0 250.386 2.212 10 0 CEAERO C[C@H]1CCC[C@H]1NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000071209072 176081879 /nfs/dbraw/zinc/08/18/79/176081879.db2.gz GJQVGCXWVPEJQM-GLQYFDAESA-N 1 0 258.365 2.006 10 0 CEAERO COCCN(CCC[NH3+])c1nc2ccccc2cc1C ZINC000071223550 176088335 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GKRXIVXEZRGUJL-XHSDSOJGSA-N 1 0 286.460 2.138 10 0 CEAERO CC[C@H]1C[NH2+][C@@](C)(CC)CN1C[C@@H]1CCCCO1 ZINC000071356657 176136985 /nfs/dbraw/zinc/13/69/85/176136985.db2.gz NIOVCDLVACAJLH-KKUMJFAQSA-N 1 0 254.418 2.408 10 0 CEAERO CCOCCN1CC2(CCCC2)[NH2+]C[C@H]1C1CC1 ZINC000071358665 176137210 /nfs/dbraw/zinc/13/72/10/176137210.db2.gz RRTZFXSRVYWQLJ-AWEZNQCLSA-N 1 0 252.402 2.020 10 0 CEAERO CC[C@@]1(C)C[N@H+](CCCn2ccnc2)[C@H](C2CC2)CN1 ZINC000071357289 176137253 /nfs/dbraw/zinc/13/72/53/176137253.db2.gz WLCAGJCOVDUVIB-HOTGVXAUSA-N 1 0 276.428 2.126 10 0 CEAERO CC(C)[C@H]1C[NH2+]C2(CCCC2)CN1Cc1cnn(C)c1 ZINC000071358543 176137708 /nfs/dbraw/zinc/13/77/08/176137708.db2.gz YWHVUKTUYNZJAI-OAHLLOKOSA-N 1 0 276.428 2.163 10 0 CEAERO COCCN1CC2(CCCC2)[NH2+]C[C@@H]1Cc1ccccc1 ZINC000071358928 176137763 /nfs/dbraw/zinc/13/77/63/176137763.db2.gz LRCWDCVVBDJVGJ-KRWDZBQOSA-N 1 0 288.435 2.462 10 0 CEAERO c1cn([C@H]2CCC[C@@H]2[NH2+]Cc2cnn3ccccc23)cn1 ZINC000071373012 176138608 /nfs/dbraw/zinc/13/86/08/176138608.db2.gz AHFZLFMBWCIOSM-HOCLYGCPSA-N 1 0 281.363 2.414 10 0 CEAERO Cc1cccc(C(=O)NCC[N@@H+](C)C2CCCC2)c1N ZINC000071376433 176141052 /nfs/dbraw/zinc/14/10/52/176141052.db2.gz IXUBAWGJYWHRTE-UHFFFAOYSA-N 1 0 275.396 2.181 10 0 CEAERO [NH3+]Cc1nnc(SCC2CCCC2)n1C1CC1 ZINC000071376354 176141257 /nfs/dbraw/zinc/14/12/57/176141257.db2.gz CUBLTRILGKPIPQ-UHFFFAOYSA-N 1 0 252.387 2.354 10 0 CEAERO CCC[C@@H](C)NC(=O)[C@@H](C)NCC[N@H+](C)C1CCCC1 ZINC000071377366 176142064 /nfs/dbraw/zinc/14/20/64/176142064.db2.gz DJBWXXDZZQTXPM-ZIAGYGMSSA-N 1 0 283.460 2.144 10 0 CEAERO CCNc1cccc(C(=O)NCC[N@H+](C)C2CCCC2)n1 ZINC000071380007 176144550 /nfs/dbraw/zinc/14/45/50/176144550.db2.gz JKQARXRAKROILD-UHFFFAOYSA-N 1 0 290.411 2.118 10 0 CEAERO Cc1ccc(N)c(CN2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000071384082 176147076 /nfs/dbraw/zinc/14/70/76/176147076.db2.gz SZWYCIURDOUWQI-OAHLLOKOSA-N 1 0 259.397 2.247 10 0 CEAERO CCN1CCC([N@H+](C)Cc2cc(C)ccc2N)CC1 ZINC000071383907 176147182 /nfs/dbraw/zinc/14/71/82/176147182.db2.gz WMHDNPVMHPRHSD-UHFFFAOYSA-N 1 0 261.413 2.493 10 0 CEAERO Cc1nnc(Sc2nc3ccccc3cc2C(N)=[NH2+])o1 ZINC000071390480 176148386 /nfs/dbraw/zinc/14/83/86/176148386.db2.gz LVOZUXUUNWIHEK-UHFFFAOYSA-N 1 0 285.332 2.361 10 0 CEAERO C[NH2+]Cc1ccc(O[C@@H](C)C(=O)OC)c(C(F)(F)F)c1 ZINC000071398479 176151673 /nfs/dbraw/zinc/15/16/73/176151673.db2.gz KBCVTVUAVJKMLP-QMMMGPOBSA-N 1 0 291.269 2.365 10 0 CEAERO COC(=O)COc1ccc(C[C@H](C)[NH3+])cc1C(F)(F)F ZINC000071399690 176152161 /nfs/dbraw/zinc/15/21/61/176152161.db2.gz AQIJQRRRPMIOSU-QMMMGPOBSA-N 1 0 291.269 2.147 10 0 CEAERO [NH3+][C@H](CCC(=O)N1CCC[C@H]1CCCO)c1ccccc1 ZINC000071401417 176153588 /nfs/dbraw/zinc/15/35/88/176153588.db2.gz JZNMZPXATSSHFQ-JKSUJKDBSA-N 1 0 290.407 2.230 10 0 CEAERO CC[NH2+]Cc1cc(C)ccc1OCC(=O)N[C@@H](C)CC ZINC000071406113 176155704 /nfs/dbraw/zinc/15/57/04/176155704.db2.gz YHKDKMJUFMRUKX-ZDUSSCGKSA-N 1 0 278.396 2.398 10 0 CEAERO Cc1ccc(O[C@H](C)C(=O)N(C)C)c(C[NH2+]C(C)C)c1 ZINC000071406619 176156149 /nfs/dbraw/zinc/15/61/49/176156149.db2.gz OMNPDEIBZNNNBQ-CYBMUJFWSA-N 1 0 278.396 2.349 10 0 CEAERO Cc1ccc(OC[C@H]2CNC(=O)O2)c(C[NH2+]C(C)(C)C)c1 ZINC000071407095 176156392 /nfs/dbraw/zinc/15/63/92/176156392.db2.gz UXZUBIBSYVCJRY-CYBMUJFWSA-N 1 0 292.379 2.370 10 0 CEAERO Cc1ccc(OCCOCCO)c(C[NH2+]CC(C)C)c1 ZINC000071407237 176156530 /nfs/dbraw/zinc/15/65/30/176156530.db2.gz HODLGJOZCHRGNY-UHFFFAOYSA-N 1 0 281.396 2.128 10 0 CEAERO Cc1ccc(OCCCn2ccnc2)c(CC[NH3+])c1 ZINC000071411461 176157084 /nfs/dbraw/zinc/15/70/84/176157084.db2.gz VMRYQNRFXIPTEJ-UHFFFAOYSA-N 1 0 259.353 2.162 10 0 CEAERO Cc1ccc(O[C@H](C)C(=O)N2CCCC2)c(C[C@@H](C)[NH3+])c1 ZINC000071411697 176157178 /nfs/dbraw/zinc/15/71/78/176157178.db2.gz XWNLVOQHKDXKLC-ZIAGYGMSSA-N 1 0 290.407 2.274 10 0 CEAERO Cc1ccc(OCC(=O)NC(C)(C)C)c(C[C@@H](C)[NH3+])c1 ZINC000071412043 176157535 /nfs/dbraw/zinc/15/75/35/176157535.db2.gz VYYXSNQNQBUZHZ-GFCCVEGCSA-N 1 0 278.396 2.178 10 0 CEAERO Cc1ccncc1NC(=O)[C@@H](C[NH3+])Cc1ccccc1 ZINC000071414056 176159406 /nfs/dbraw/zinc/15/94/06/176159406.db2.gz RXXATQWLNDEJTO-CQSZACIVSA-N 1 0 269.348 2.146 10 0 CEAERO COc1ccc([C@@H](CO)[NH2+]C(C)C)c(OC)c1C ZINC000071574809 176201888 /nfs/dbraw/zinc/20/18/88/176201888.db2.gz FTTRGVQMVOUIRJ-GFCCVEGCSA-N 1 0 253.342 2.044 10 0 CEAERO CCc1ccc(OC)c(Cc2nc(CC[NH3+])c[nH]2)c1 ZINC000071585435 176210777 /nfs/dbraw/zinc/21/07/77/176210777.db2.gz NRVFTKZHKHBLLG-UHFFFAOYSA-N 1 0 259.353 2.073 10 0 CEAERO CC(C)(C)c1ccc(S(=O)(=O)[C@@H]2CC[NH2+]C2)cc1 ZINC000071599338 176223975 /nfs/dbraw/zinc/22/39/75/176223975.db2.gz HVNGYOJHTHSDBB-CYBMUJFWSA-N 1 0 267.394 2.120 10 0 CEAERO CC[C@@H](O)[NH2+]C1(C)CCN(CC(=O)c2cccs2)CC1 ZINC000071973264 176305797 /nfs/dbraw/zinc/30/57/97/176305797.db2.gz RBOMKRYHHYXNSW-CQSZACIVSA-N 1 0 296.436 2.103 10 0 CEAERO [NH3+]CCc1cccc(-c2cc(NCCO)nc3[nH]ccc32)c1 ZINC000072167514 176331418 /nfs/dbraw/zinc/33/14/18/176331418.db2.gz QBNVVAZLEYKUQQ-UHFFFAOYSA-N 1 0 296.374 2.135 10 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10 0 CEAERO CC[C@@H](CC[NH3+])C(=O)Nc1cc(C)ccc1OC ZINC000076654588 177044485 /nfs/dbraw/zinc/04/44/85/177044485.db2.gz MXHHLIXCYMYEJA-NSHDSACASA-N 1 0 250.342 2.317 10 0 CEAERO CC(C)NC(=O)[C@H](CCC[NH3+])c1ccccc1F ZINC000076656674 177046162 /nfs/dbraw/zinc/04/61/62/177046162.db2.gz ZZIXOHSUGIBEGB-GFCCVEGCSA-N 1 0 252.333 2.173 10 0 CEAERO COc1cc(C)ccc1OC[C@@H](C[NH3+])c1ccc[nH]1 ZINC000076670753 177053873 /nfs/dbraw/zinc/05/38/73/177053873.db2.gz XCMJCOJJMVUXAV-GFCCVEGCSA-N 1 0 260.337 2.453 10 0 CEAERO C[C@H]([NH2+]C[C@@H](O)CO)c1ccc(-c2ccccc2)cc1 ZINC000078430038 177340527 /nfs/dbraw/zinc/34/05/27/177340527.db2.gz DWTOYLPNZNZRIR-SUMWQHHRSA-N 1 0 271.360 2.357 10 0 CEAERO CC(C)C[C@H](C)N(C)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000078538934 177351843 /nfs/dbraw/zinc/35/18/43/177351843.db2.gz BFLUJTVMSSMMRA-QWHCGFSZSA-N 1 0 252.402 2.269 10 0 CEAERO Nc1cc[nH+]cc1[C@@H](O)c1ccc2ccccc2n1 ZINC000078597853 177357689 /nfs/dbraw/zinc/35/76/89/177357689.db2.gz PBSFIHLIPMPWCI-OAHLLOKOSA-N 1 0 251.289 2.294 10 0 CEAERO COc1cc(-c2noc(C[NH2+]C(C)(C)C)n2)ccc1O ZINC000078643298 177365068 /nfs/dbraw/zinc/36/50/68/177365068.db2.gz HPVFQKZOICBFFQ-UHFFFAOYSA-N 1 0 277.324 2.339 10 0 CEAERO CC[N@H+](Cc1cc(OC)ccc1OC)CC(C)(C)O ZINC000078747215 177380893 /nfs/dbraw/zinc/38/08/93/177380893.db2.gz XKBYIRCOSHKEKT-UHFFFAOYSA-N 1 0 267.369 2.297 10 0 CEAERO CC[N@H+](CCC(=O)Nc1ccccc1OC)CC(C)(C)O ZINC000078777491 177386604 /nfs/dbraw/zinc/38/66/04/177386604.db2.gz VYVDMGYSROBOGW-UHFFFAOYSA-N 1 0 294.395 2.117 10 0 CEAERO CC[NH2+]C[C@@H]1CCCN1c1nc2ccccc2n1C ZINC000079049341 177421559 /nfs/dbraw/zinc/42/15/59/177421559.db2.gz WBTZIDHDAUYHCO-LBPRGKRZSA-N 1 0 258.369 2.152 10 0 CEAERO C[C@@H](CC[NH3+])CCC(=O)NCCc1cccc(F)c1 ZINC000079117050 177436040 /nfs/dbraw/zinc/43/60/40/177436040.db2.gz PKUAAIBMIIFQCB-GFCCVEGCSA-N 1 0 266.360 2.250 10 0 CEAERO COCCOc1cccc(NC(=O)CC[C@H](C)CC[NH3+])c1 ZINC000079118127 177436244 /nfs/dbraw/zinc/43/62/44/177436244.db2.gz WSUOFJMVHRBUOI-ZDUSSCGKSA-N 1 0 294.395 2.415 10 0 CEAERO COCc1cccc(CNC(=O)CC[C@@H](C)CC[NH3+])c1 ZINC000079118901 177436785 /nfs/dbraw/zinc/43/67/85/177436785.db2.gz XYDPTCZNRFSUHG-CYBMUJFWSA-N 1 0 278.396 2.214 10 0 CEAERO COC(=O)c1ccc(NC(=O)CC[C@@H](C)CC[NH3+])cc1 ZINC000079119474 177437232 /nfs/dbraw/zinc/43/72/32/177437232.db2.gz LULJGZNEXJDSCE-LLVKDONJSA-N 1 0 278.352 2.177 10 0 CEAERO Cc1ncsc1CN(C)C(=O)CC[C@@H](C)CC[NH3+] ZINC000079120158 177438151 /nfs/dbraw/zinc/43/81/51/177438151.db2.gz HZKKJDMFNRYAGN-SNVBAGLBSA-N 1 0 269.414 2.175 10 0 CEAERO CC[C@@H](CC[NH3+])CCC(=O)NCc1nc(C)cs1 ZINC000079211092 177447243 /nfs/dbraw/zinc/44/72/43/177447243.db2.gz UGKCFOVWPPJVTK-LLVKDONJSA-N 1 0 269.414 2.223 10 0 CEAERO CC[C@H](CC[NH3+])CCC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000079210463 177447368 /nfs/dbraw/zinc/44/73/68/177447368.db2.gz NZMSZMCFUCKWPQ-SOUVJXGZSA-N 1 0 282.428 2.312 10 0 CEAERO CC[C@@H](CC[NH3+])CCC(=O)NCc1ccc2c(c1)OCO2 ZINC000079212220 177447854 /nfs/dbraw/zinc/44/78/54/177447854.db2.gz ZFOSLFGNONKNPK-GFCCVEGCSA-N 1 0 292.379 2.187 10 0 CEAERO CC[C@@H](CC[NH3+])CCC(=O)NCCc1nc(C)cs1 ZINC000079213358 177448989 /nfs/dbraw/zinc/44/89/89/177448989.db2.gz XRJDEHJNONGOKO-GFCCVEGCSA-N 1 0 283.441 2.265 10 0 CEAERO CC(C)(C)[C@@H](CC[NH3+])CCC(=O)N[C@@H]1CCCOC1 ZINC000079294249 177465983 /nfs/dbraw/zinc/46/59/83/177465983.db2.gz LRWCYVKSQPCDIR-CHWSQXEVSA-N 1 0 270.417 2.073 10 0 CEAERO COc1cccc(N(C)C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])c1 ZINC000079534429 177516872 /nfs/dbraw/zinc/51/68/72/177516872.db2.gz YSYAWNASNACWBN-BVIHXZOGSA-N 1 0 274.364 2.031 10 0 CEAERO CC[C@H]1C[N@H+](C[C@@H]2CC(C)(C)CC[C@@H]2O)CCN1C ZINC000079674979 177535570 /nfs/dbraw/zinc/53/55/70/177535570.db2.gz CXNUTBLCDLIQSJ-KKUMJFAQSA-N 1 0 268.445 2.200 10 0 CEAERO CCN(C[C@H](C)C(N)=[NH2+])C(=O)Nc1ccc(F)cc1 ZINC000079778898 177556998 /nfs/dbraw/zinc/55/69/98/177556998.db2.gz LFFVPWYOWVLQPE-VIFPVBQESA-N 1 0 266.320 2.252 10 0 CEAERO CCN(CC(N)=[NH2+])C(=O)Nc1ccccc1C(F)(F)F ZINC000079779013 177557104 /nfs/dbraw/zinc/55/71/04/177557104.db2.gz LUURCAFEGWXSQR-UHFFFAOYSA-N 1 0 288.273 2.495 10 0 CEAERO C[C@@H]1CCC[C@@H](c2nc(C[NH2+]C3CC3)cc(=O)[nH]2)C1 ZINC000079940557 177585018 /nfs/dbraw/zinc/58/50/18/177585018.db2.gz RPIGUQZXBIJHGV-GHMZBOCLSA-N 1 0 261.369 2.316 10 0 CEAERO CC[NH2+]C[C@H]1CC[C@H](Cn2cc(Cl)c(C)n2)O1 ZINC000080017998 177597364 /nfs/dbraw/zinc/59/73/64/177597364.db2.gz YCVIAVCSLDWGJW-GHMZBOCLSA-N 1 0 257.765 2.002 10 0 CEAERO CC[C@@](C)(O)C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000249380376 287394486 /nfs/dbraw/zinc/39/44/86/287394486.db2.gz OZELFFGQGUMXHK-SJORKVTESA-N 1 0 275.392 2.321 10 0 CEAERO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)C1 ZINC000261981243 287491684 /nfs/dbraw/zinc/49/16/84/287491684.db2.gz RQCZQRRPMCQUSG-YIDVYQOGSA-N 1 0 266.429 2.312 10 0 CEAERO CCNC(=O)c1ccc(C)c(NC(=O)C[C@H]([NH3+])C(C)C)c1 ZINC000136362380 419445077 /nfs/dbraw/zinc/44/50/77/419445077.db2.gz UUTCZAIVLPGCFR-ZDUSSCGKSA-N 1 0 291.395 2.057 10 0 CEAERO CCCNC(=O)c1cccc(NC(=O)C[C@H]([NH3+])C(C)C)c1 ZINC000136325699 419445348 /nfs/dbraw/zinc/44/53/48/419445348.db2.gz FHKZPOVZKQJQSD-AWEZNQCLSA-N 1 0 291.395 2.138 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)N(C)Cc1ccc(F)cc1F ZINC000136383817 419446789 /nfs/dbraw/zinc/44/67/89/419446789.db2.gz GMHUWXYAHFAMSV-CYBMUJFWSA-N 1 0 270.323 2.297 10 0 CEAERO COc1ccccc1C[C@H](C)N(C)C(=O)C[C@H]([NH3+])C(C)C ZINC000136477121 419446937 /nfs/dbraw/zinc/44/69/37/419446937.db2.gz WYAAGAGYHBIUPF-ZFWWWQNUSA-N 1 0 292.423 2.458 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1nc(C2CC2)cs1 ZINC000136441066 419447133 /nfs/dbraw/zinc/44/71/33/419447133.db2.gz TVMCFBWOMIYFCA-VIFPVBQESA-N 1 0 253.371 2.332 10 0 CEAERO COCCN(Cc1ccccc1)C(=O)C[C@H]([NH3+])C(C)C ZINC000136373678 419447257 /nfs/dbraw/zinc/44/72/57/419447257.db2.gz FQTQCISSMNXKJJ-HNNXBMFYSA-N 1 0 278.396 2.035 10 0 CEAERO COc1ccc(NC(=O)C[C@@H]([NH3+])C(C)C)c(C)c1 ZINC000136455042 419447876 /nfs/dbraw/zinc/44/78/76/419447876.db2.gz BNAHFVUOCABRLM-GFCCVEGCSA-N 1 0 250.342 2.316 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)Nc1cc(F)c(F)c(F)c1 ZINC000136453768 419448245 /nfs/dbraw/zinc/44/82/45/419448245.db2.gz COAVADOKYRXFJR-SNVBAGLBSA-N 1 0 260.259 2.416 10 0 CEAERO CC(C)(O)C(C)(C)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000393615855 261219613 /nfs/dbraw/zinc/21/96/13/261219613.db2.gz JYXMXBFRWWLCED-IJLUTSLNSA-N 1 0 255.402 2.187 10 0 CEAERO C[C@H](COCc1ccccc1)NC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000390728018 262247255 /nfs/dbraw/zinc/24/72/55/262247255.db2.gz SXJMFUVSIORVMF-IIAWOOMASA-N 1 0 290.407 2.096 10 0 CEAERO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)C[C@@H]1CCSC1 ZINC000494936354 262273436 /nfs/dbraw/zinc/27/34/36/262273436.db2.gz ZPANRGPRZKWAHQ-QWRGUYRKSA-N 1 0 259.415 2.402 10 0 CEAERO COC(=O)N1CCC([NH2+]CC2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000495335269 262276104 /nfs/dbraw/zinc/27/61/04/262276104.db2.gz FIPNFKPLCORZSW-VXGBXAGGSA-N 1 0 284.400 2.010 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@H](C)c2cccnc2)C1 ZINC000250032085 270327753 /nfs/dbraw/zinc/32/77/53/270327753.db2.gz DVTIPZMGDJBIAY-HIFRSBDPSA-N 1 0 290.411 2.268 10 0 CEAERO Cc1csc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)n1 ZINC000398713284 270360970 /nfs/dbraw/zinc/36/09/70/270360970.db2.gz PJGVQVNJKWVHAB-QJPTWQEYSA-N 1 0 252.383 2.044 10 0 CEAERO CC(C)CCOCC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398736645 270361925 /nfs/dbraw/zinc/36/19/25/270361925.db2.gz NHWWVUGKUZLRIO-KKUMJFAQSA-N 1 0 255.402 2.142 10 0 CEAERO O[C@@H]1CC[C@H]2C[N@H+](CCCOCC(F)(F)F)C[C@H]2C1 ZINC000399113162 270366050 /nfs/dbraw/zinc/36/60/50/270366050.db2.gz XMRYFRRQURSIMG-QJPTWQEYSA-N 1 0 281.318 2.048 10 0 CEAERO COc1ccc(CCC(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)cc1Cl ZINC000423939418 270988953 /nfs/dbraw/zinc/98/89/53/270988953.db2.gz APIUTDDEAZNUJF-MFKMUULPSA-N 1 0 296.798 2.087 10 0 CEAERO C[C@@H]1CC[NH2+]C[C@H]1Nc1ccc2c(n1)CCCC2=O ZINC000333864698 274308231 /nfs/dbraw/zinc/30/82/31/274308231.db2.gz AOZXIFLDMIOTML-ZWNOBZJWSA-N 1 0 259.353 2.011 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCCc2sccc21 ZINC000111272559 274378344 /nfs/dbraw/zinc/37/83/44/274378344.db2.gz LGNJCVNKDHJHRX-YUSALJHKSA-N 1 0 264.394 2.097 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]2CN(c3ncc(Cl)cc3F)C[C@H]21 ZINC000228549962 274957654 /nfs/dbraw/zinc/95/76/54/274957654.db2.gz ZDYOFNXAHMORDC-HLUHBDAQSA-N 1 0 269.751 2.438 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)c1ncncc1Br ZINC000092670773 276170664 /nfs/dbraw/zinc/17/06/64/276170664.db2.gz JMKOJGZRDRYUGW-SNVBAGLBSA-N 1 0 299.216 2.160 10 0 CEAERO CC1CCC(C[NH2+]C[C@H]2CCCCS2(=O)=O)CC1 ZINC000344327260 276189252 /nfs/dbraw/zinc/18/92/52/276189252.db2.gz OXSYXMUVXBYYKT-JXQTWKCFSA-N 1 0 273.442 2.370 10 0 CEAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C1CCCC1)CC2 ZINC000180616719 276703332 /nfs/dbraw/zinc/70/33/32/276703332.db2.gz NYHIASSDVRCHLY-WCQYABFASA-N 1 0 262.401 2.324 10 0 CEAERO C[NH+]1CCC(C(=O)N[C@H]2CCC23CCCC3)CC1 ZINC000334760375 277025086 /nfs/dbraw/zinc/02/50/86/277025086.db2.gz SYSZFXPHQAZURT-ZDUSSCGKSA-N 1 0 250.386 2.167 10 0 CEAERO COC(C)(C)CCN1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000336784333 277176689 /nfs/dbraw/zinc/17/66/89/277176689.db2.gz OZLZUHTTZAXXQF-UONOGXRCSA-N 1 0 254.418 2.360 10 0 CEAERO CC(C)(C)OC(=O)N1CCC2=C(C1)[C@@H]([NH3+])CCS2 ZINC000091692301 277182702 /nfs/dbraw/zinc/18/27/02/277182702.db2.gz VXAVXWIETVUMIW-JTQLQIEISA-N 1 0 270.398 2.346 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]([NH3+])c1ccccn1 ZINC000102837291 277187115 /nfs/dbraw/zinc/18/71/15/277187115.db2.gz VCKQSSQOZDHTLZ-STQMWFEESA-N 1 0 277.368 2.481 10 0 CEAERO CN1c2ccccc2[C@@H]([NH2+]CCc2ccccn2)CC1=O ZINC000037201292 277217973 /nfs/dbraw/zinc/21/79/73/277217973.db2.gz HGEWPKAGHZHCGM-HNNXBMFYSA-N 1 0 281.359 2.322 10 0 CEAERO CC(C)(C)SCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000261871871 277223115 /nfs/dbraw/zinc/22/31/15/277223115.db2.gz DGFMWWXGTDACKB-BFHYXJOUSA-N 1 0 286.485 2.265 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000219925960 277281291 /nfs/dbraw/zinc/28/12/91/277281291.db2.gz GDSZPQXZRCZAPN-AEJSXWLSSA-N 1 0 266.307 2.079 10 0 CEAERO C[NH2+]C[C@H]1CCN(c2cc(C)c(Br)cn2)C1 ZINC000163956492 277286394 /nfs/dbraw/zinc/28/63/94/277286394.db2.gz WUFOLRAZXVJVOH-SNVBAGLBSA-N 1 0 284.201 2.198 10 0 CEAERO CO[C@H]1CC[N@H+](CC2CCC(C)CC2)[C@@H](CN)C1 ZINC000161025618 277340402 /nfs/dbraw/zinc/34/04/02/277340402.db2.gz JRNMYYJKIJPUFE-CVSAEHQPSA-N 1 0 254.418 2.251 10 0 CEAERO CC(C)C1CCC([NH2+][C@H]2CCC(=O)N[C@@H]2C)CC1 ZINC000335803531 277341588 /nfs/dbraw/zinc/34/15/88/277341588.db2.gz OILBTQZJTGYZPE-RYSNWHEDSA-N 1 0 252.402 2.458 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCO[C@H]1C ZINC000189714238 277393793 /nfs/dbraw/zinc/39/37/93/277393793.db2.gz OCWITRKFFZITJU-RRFJBIMHSA-N 1 0 282.428 2.038 10 0 CEAERO CSc1nc(Cl)cc(N2CCCC[C@H]2C[NH3+])n1 ZINC000095071758 277535656 /nfs/dbraw/zinc/53/56/56/277535656.db2.gz RLLJWYPCKVYJLV-QMMMGPOBSA-N 1 0 272.805 2.170 10 0 CEAERO CO[C@@H](C)C[NH+]1CCN(c2nc3cc(C)ccc3o2)CC1 ZINC000182136037 277623717 /nfs/dbraw/zinc/62/37/17/277623717.db2.gz XLFQFXVKRHZEDL-ZDUSSCGKSA-N 1 0 289.379 2.293 10 0 CEAERO C[C@@H]1CCC[C@H](NC(=O)[C@@]2(C)CCCC[NH2+]2)[C@@H]1C ZINC000227968611 277729000 /nfs/dbraw/zinc/72/90/00/277729000.db2.gz FNZSMTANKFFBQF-GUIRCDHDSA-N 1 0 252.402 2.460 10 0 CEAERO COc1cccc(CN[C@@H](C[NH+](C)C)c2ccccc2)n1 ZINC000189426493 278012780 /nfs/dbraw/zinc/01/27/80/278012780.db2.gz LLEVTSHKHJIJOP-INIZCTEOSA-N 1 0 285.391 2.483 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000261600750 278098910 /nfs/dbraw/zinc/09/89/10/278098910.db2.gz PZGHFRBVUMYEMM-LMLFDSFASA-N 1 0 278.318 2.303 10 0 CEAERO C[C@@H](C(=O)N1CCc2sccc2[C@H]1C)C1C[NH2+]C1 ZINC000164316815 278198077 /nfs/dbraw/zinc/19/80/77/278198077.db2.gz KZHWQNPGVUMQFR-NXEZZACHSA-N 1 0 264.394 2.049 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@]2(CC[C@@H](C[NH3+])C2)C1 ZINC000095084641 278413669 /nfs/dbraw/zinc/41/36/69/278413669.db2.gz CJMRYBSIKXAGFU-RISCZKNCSA-N 1 0 254.374 2.372 10 0 CEAERO C[C@@H]1CCN(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)[C@@H]1C ZINC000333330029 278535673 /nfs/dbraw/zinc/53/56/73/278535673.db2.gz ODQSTPAVCXTTRL-WZRBSPASSA-N 1 0 288.395 2.160 10 0 CEAERO Cc1cc(Cl)ccc1C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000261559267 278693173 /nfs/dbraw/zinc/69/31/73/278693173.db2.gz SZWHXNRNBGEDPC-JOYOIKCWSA-N 1 0 252.745 2.210 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@@H]1[C@@H](C)[C@@H](OC)C1(CC)CC ZINC000236914822 278938098 /nfs/dbraw/zinc/93/80/98/278938098.db2.gz ULDDXPGPCLYBBJ-YVECIDJPSA-N 1 0 270.417 2.070 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC000263522302 279059436 /nfs/dbraw/zinc/05/94/36/279059436.db2.gz RQLOQQOKHYUSCI-PNESKVBLSA-N 1 0 268.401 2.092 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000261579402 279114652 /nfs/dbraw/zinc/11/46/52/279114652.db2.gz DUNZICPIRIPQFT-LDYMZIIASA-N 1 0 272.270 2.267 10 0 CEAERO Cc1nc2c(s1)[C@@H]([NH2+][C@H]1CCc3ncnn3C1)CCC2 ZINC000180589483 279117687 /nfs/dbraw/zinc/11/76/87/279117687.db2.gz OBMPCFLOXGTTAI-JQWIXIFHSA-N 1 0 289.408 2.025 10 0 CEAERO C[C@H]([NH3+])CC(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000261817917 279395023 /nfs/dbraw/zinc/39/50/23/279395023.db2.gz HPEMGODKILDLPJ-TVQRCGJNSA-N 1 0 250.317 2.057 10 0 CEAERO C[C@H]1CCCN(c2ccc(C(F)(F)F)nn2)[C@@H]1C[NH3+] ZINC000167117632 279672591 /nfs/dbraw/zinc/67/25/91/279672591.db2.gz MHDQUROUPJDHJR-DTWKUNHWSA-N 1 0 274.290 2.059 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@H]1CCO[C@H]1c1ccccc1 ZINC000261871508 279676206 /nfs/dbraw/zinc/67/62/06/279676206.db2.gz XVXKIJSRLYJWAS-IVSAIRAKSA-N 1 0 288.391 2.150 10 0 CEAERO C[C@H]1CCN(Cc2ccn(-c3ccccc3)n2)[C@H](C[NH3+])C1 ZINC000261595011 279723999 /nfs/dbraw/zinc/72/39/99/279723999.db2.gz CLCMYWONKLISOD-YOEHRIQHSA-N 1 0 284.407 2.432 10 0 CEAERO C[C@@H](CC[S@](C)=O)[NH2+]Cc1ccnc2ccccc12 ZINC000125520489 279811933 /nfs/dbraw/zinc/81/19/33/279811933.db2.gz JORIYNLVHOMPEO-HXPMCKFVSA-N 1 0 276.405 2.482 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1N=c1[nH]oc2ccc(Cl)cc21 ZINC000333531750 280044554 /nfs/dbraw/zinc/04/45/54/280044554.db2.gz MINAMDDTMZATNW-KCJUWKMLSA-N 1 0 265.744 2.456 10 0 CEAERO Cc1ccc(C[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)o1 ZINC000195404788 280203747 /nfs/dbraw/zinc/20/37/47/280203747.db2.gz GYKPVWNGIKFZCB-LBPRGKRZSA-N 1 0 274.368 2.408 10 0 CEAERO CC(C)[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173330090 280217612 /nfs/dbraw/zinc/21/76/12/280217612.db2.gz DUCLCKTWUQWNOR-AGIUHOORSA-N 1 0 255.406 2.155 10 0 CEAERO CCCN(CCC)C(=O)CN1C[C@H]2CCC[N@@H+]2C[C@H]1CC ZINC000245414114 280238507 /nfs/dbraw/zinc/23/85/07/280238507.db2.gz CBVIYTHDKCMCDA-HZPDHXFCSA-N 1 0 295.471 2.194 10 0 CEAERO CC[C@H](CSC)NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246159091 280277307 /nfs/dbraw/zinc/27/73/07/280277307.db2.gz UHUVXEALPKTPDS-UPJWGTAASA-N 1 0 287.473 2.156 10 0 CEAERO Cc1cccc2c1ncnc2N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246256885 280283763 /nfs/dbraw/zinc/28/37/63/280283763.db2.gz IYFBSNAYTFCVRW-ZDUSSCGKSA-N 1 0 268.364 2.223 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2[C@@H](C)CC[C@@H]2C)C1 ZINC000246309489 280286662 /nfs/dbraw/zinc/28/66/62/280286662.db2.gz DTUJKXRJCZACAO-AVGNSLFASA-N 1 0 253.390 2.053 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCC(C)CC2)C1 ZINC000246585598 280302284 /nfs/dbraw/zinc/30/22/84/280302284.db2.gz YNHFUXGOAOUKMO-KGLIPLIRSA-N 1 0 267.417 2.157 10 0 CEAERO C[C@H](O)C[N@@H+]1CCN(C(=O)CCCC(C)(C)C)C[C@H]1C ZINC000246620182 280304081 /nfs/dbraw/zinc/30/40/81/280304081.db2.gz CYJUXDBTGCXPEB-KGLIPLIRSA-N 1 0 284.444 2.116 10 0 CEAERO CCC[C@H](C)CC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000246981231 280316864 /nfs/dbraw/zinc/31/68/64/280316864.db2.gz UKYDYMVZLFSWPD-KKUMJFAQSA-N 1 0 284.444 2.116 10 0 CEAERO CCCCOC[C@H](O)C[N@H+](C)[C@@H]1C[C@](C)(OC)C1(C)C ZINC000248641792 280356824 /nfs/dbraw/zinc/35/68/24/280356824.db2.gz CTXNSWYGBYEENG-FMKPAKJESA-N 1 0 287.444 2.299 10 0 CEAERO CC[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](C)C2)CC[N@@H+]1CCOC ZINC000121422523 280368116 /nfs/dbraw/zinc/36/81/16/280368116.db2.gz ZPRAAHJKZRGDIJ-ARFHVFGLSA-N 1 0 296.455 2.382 10 0 CEAERO C[C@@H]1CCC[C@H](CC[N@@H+]2CCCNC(=O)[C@H]2C)C1 ZINC000248890929 280372231 /nfs/dbraw/zinc/37/22/31/280372231.db2.gz AXISNPXKDRZUOS-MGPQQGTHSA-N 1 0 252.402 2.413 10 0 CEAERO CCN(CCO)CC[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000248992142 280378392 /nfs/dbraw/zinc/37/83/92/280378392.db2.gz LHBOQRDCAYMCGU-ZIAGYGMSSA-N 1 0 256.434 2.105 10 0 CEAERO Cc1cc(C)c(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)c(C)c1 ZINC000091496324 280383050 /nfs/dbraw/zinc/38/30/50/280383050.db2.gz RMYGWUHHPOCRKV-ZIAGYGMSSA-N 1 0 260.381 2.482 10 0 CEAERO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](C[C@@](C)(O)CC)C1 ZINC000249304310 280392651 /nfs/dbraw/zinc/39/26/51/280392651.db2.gz CTYFEQZZGDHLCZ-LZWOXQAQSA-N 1 0 284.444 2.164 10 0 CEAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccc(Cl)nc1 ZINC000252661537 288297370 /nfs/dbraw/zinc/29/73/70/288297370.db2.gz LVSBRWOSEWNOKR-YPMHNXCESA-N 1 0 293.798 2.434 10 0 CEAERO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)CC2 ZINC000282362256 281125889 /nfs/dbraw/zinc/12/58/89/281125889.db2.gz PVIQWIFAOVHSEB-TUKIKUTGSA-N 1 0 258.365 2.239 10 0 CEAERO Cc1ccnc(N2CCC[C@@H](C[NH3+])C2)c1Br ZINC000235922613 281455607 /nfs/dbraw/zinc/45/56/07/281455607.db2.gz AHEFJUWDHHSQAM-JTQLQIEISA-N 1 0 284.201 2.328 10 0 CEAERO Cc1nc2c(c(N3C[C@H]([NH+](C)C)[C@@H](C)C3)n1)CCCC2 ZINC000272808179 282012209 /nfs/dbraw/zinc/01/22/09/282012209.db2.gz CAHFMDRHHYSJAV-NHYWBVRUSA-N 1 0 274.412 2.050 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1CCCc2ccccc21 ZINC000261635322 288980994 /nfs/dbraw/zinc/98/09/94/288980994.db2.gz WLHLAVGBQRYISO-UGFHNGPFSA-N 1 0 258.365 2.055 10 0 CEAERO Cc1[nH]c2ccc(C(=O)N3CCC[C@@H]3C[NH3+])cc2c1C ZINC000156074076 289188932 /nfs/dbraw/zinc/18/89/32/289188932.db2.gz CTDPQVYMWDLOFS-CYBMUJFWSA-N 1 0 271.364 2.348 10 0 CEAERO CO[C@]1(C)C[C@H](N(C)C(=O)[C@H]2CCC[C@H]([NH3+])C2)C1(C)C ZINC000262336251 289259353 /nfs/dbraw/zinc/25/93/53/289259353.db2.gz ZJBSYWAABBNGIZ-WFGGJUAMSA-N 1 0 282.428 2.166 10 0 CEAERO CO[C@H]1C[C@@H](CO)[N@H+](CCCOc2ccc(Cl)cc2)C1 ZINC000312526640 289281103 /nfs/dbraw/zinc/28/11/03/289281103.db2.gz PFEOZZAPCWPSCZ-ZFWWWQNUSA-N 1 0 299.798 2.191 10 0 CEAERO NC(=O)[C@]1(O)CCC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000336144622 295021786 /nfs/dbraw/zinc/02/17/86/295021786.db2.gz IUIDTTRVLIBYSY-JQWIXIFHSA-N 1 0 276.327 2.174 10 0 CEAERO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCC[C@H]3CCC[C@H]32)C1 ZINC000251100310 295310538 /nfs/dbraw/zinc/31/05/38/295310538.db2.gz JVPIDZDBIMTCNT-XJFOESAGSA-N 1 0 250.386 2.295 10 0 CEAERO [NH3+][C@@H]1CC[C@H](C(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000097092083 295322202 /nfs/dbraw/zinc/32/22/02/295322202.db2.gz HXBAAOOCUCQFGK-RGCZZKDASA-N 1 0 262.397 2.199 10 0 CEAERO O=C(CC[C@@H]1CCC[NH2+]1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000261570505 295478720 /nfs/dbraw/zinc/47/87/20/295478720.db2.gz KMDGTWDWMBILTK-MCIONIFRSA-N 1 0 250.386 2.167 10 0 CEAERO C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1O ZINC000497225098 297522156 /nfs/dbraw/zinc/52/21/56/297522156.db2.gz DZHIZSDIPQLDDJ-FDYHWXHSSA-N 1 0 286.416 2.181 10 0 CEAERO Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2CCS[C@@H](C)C2)c1 ZINC000245811483 301228107 /nfs/dbraw/zinc/22/81/07/301228107.db2.gz HECAOFFSIIXPOM-LSDHHAIUSA-N 1 0 295.448 2.480 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)c1ccc(Br)o1 ZINC000038049232 303482568 /nfs/dbraw/zinc/48/25/68/303482568.db2.gz XSQRONIJPWDYNC-JGVFFNPUSA-N 1 0 287.157 2.042 10 0 CEAERO Cc1cnc(NC[C@H]2[NH2+]CCc3ccccc32)nc1C ZINC000386694995 321873073 /nfs/dbraw/zinc/87/30/73/321873073.db2.gz SMOARQMXVCDMQN-OAHLLOKOSA-N 1 0 268.364 2.392 10 0 CEAERO COc1ccccc1NC(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000399531749 326807485 /nfs/dbraw/zinc/80/74/85/326807485.db2.gz VGMMKTCWCFVTHC-GXFFZTMASA-N 1 0 250.342 2.253 10 0 CEAERO O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000216476990 328730918 /nfs/dbraw/zinc/73/09/18/328730918.db2.gz RHFKTLBHSWXSCG-BRWVUGGUSA-N 1 0 274.408 2.154 10 0 CEAERO O[C@@H](C[NH2+]CC1(C2CC2)CCC1)COCc1ccco1 ZINC000391571962 328979206 /nfs/dbraw/zinc/97/92/06/328979206.db2.gz WKMMTDRPXQNSBO-AWEZNQCLSA-N 1 0 279.380 2.327 10 0 CEAERO CC(C)C[C@@H]([NH3+])[C@H](O)c1cc2c(c(Cl)c1)OCO2 ZINC000054929324 519225484 /nfs/dbraw/zinc/22/54/84/519225484.db2.gz PXSIECXPFQCTOA-ZYHUDNBSSA-N 1 0 271.744 2.476 10 0 CEAERO CC(C)CC[C@@H](C)NS(=O)(=O)CC[C@H]1CCCC[NH2+]1 ZINC000069234734 519682178 /nfs/dbraw/zinc/68/21/78/519682178.db2.gz PZWSJPLWFIPVBN-ZIAGYGMSSA-N 1 0 290.473 2.263 10 0 CEAERO CC(C)[NH2+][C@](C)(C[C@H](C)Oc1ccc(F)cc1)C(N)=O ZINC000068656470 519740144 /nfs/dbraw/zinc/74/01/44/519740144.db2.gz IBXGVTJCOBIOMM-XHDPSFHLSA-N 1 0 282.359 2.225 10 0 CEAERO CC(C)C[NH2+]C[C@H]1CC[C@H](Cn2cc(Cl)cn2)O1 ZINC000052577290 519746346 /nfs/dbraw/zinc/74/63/46/519746346.db2.gz PSTQKNQFBZIJIQ-CHWSQXEVSA-N 1 0 271.792 2.330 10 0 CEAERO CC(C)[C@H](CN(C)C)[NH2+]C[C@H](O)c1cc(F)ccc1F ZINC000049204649 519814600 /nfs/dbraw/zinc/81/46/00/519814600.db2.gz WKFUBKNBKSBAMW-GJZGRUSLSA-N 1 0 286.366 2.174 10 0 CEAERO CCCC1CC[NH+](C[C@@](C)(NC)C(=O)OCC)CC1 ZINC000050905564 519902308 /nfs/dbraw/zinc/90/23/08/519902308.db2.gz OTQNIQVRSXKTGF-OAHLLOKOSA-N 1 0 270.417 2.040 10 0 CEAERO CC[NH2+]C[C@H](OCCOCC)c1ccccc1OC ZINC000050489729 519974158 /nfs/dbraw/zinc/97/41/58/519974158.db2.gz IIFJXGXFQSBDQK-HNNXBMFYSA-N 1 0 267.369 2.399 10 0 CEAERO CC[NH2+]Cc1cc(CN2CCOC(C)(C)C2)c(C)o1 ZINC000052481903 519989472 /nfs/dbraw/zinc/98/94/72/519989472.db2.gz BOQQVNFSULCGDC-UHFFFAOYSA-N 1 0 266.385 2.308 10 0 CEAERO CCCN[C@@H](C[N@@H+]1CCCC(C)(C)C1)C(=O)OCC ZINC000069516456 520008406 /nfs/dbraw/zinc/00/84/06/520008406.db2.gz SPHXIASDCKDKGS-ZDUSSCGKSA-N 1 0 270.417 2.040 10 0 CEAERO CCC[NH2+][C@@H](Cc1cccs1)C(C)(C)S(C)(=O)=O ZINC000070129989 520014521 /nfs/dbraw/zinc/01/45/21/520014521.db2.gz OPGARYNMDMIOHO-LBPRGKRZSA-N 1 0 289.466 2.482 10 0 CEAERO CC[NH2+]Cc1cnn([C@@H]2CCCCC[C@@H]2O)c1C ZINC000054600495 520017041 /nfs/dbraw/zinc/01/70/41/520017041.db2.gz GLKDJPPJGSBCPT-KGLIPLIRSA-N 1 0 251.374 2.167 10 0 CEAERO CC[NH2+]Cc1coc(CN2CCO[C@H]3CCC[C@@H]32)c1 ZINC000052540281 520017618 /nfs/dbraw/zinc/01/76/18/520017618.db2.gz BJVUOUOUSSGJIN-GJZGRUSLSA-N 1 0 264.369 2.142 10 0 CEAERO CC[NH2+][C@@H](c1ccc(CC)cc1)[C@@H](C)S(C)(=O)=O ZINC000054930474 520108968 /nfs/dbraw/zinc/10/89/68/520108968.db2.gz ZDSZVLIIBOJOFJ-BXUZGUMPSA-N 1 0 269.410 2.333 10 0 CEAERO CCC[NH2+][C@](C)(C[C@H](C)Oc1cccc(F)c1)C(N)=O ZINC000068656719 520114849 /nfs/dbraw/zinc/11/48/49/520114849.db2.gz XKXKPWBMDZELHX-XHDPSFHLSA-N 1 0 282.359 2.227 10 0 CEAERO CCCCC[N@H+](C)C[C@@](NCCC)(C(=O)OC)C1CC1 ZINC000069098321 520153231 /nfs/dbraw/zinc/15/32/31/520153231.db2.gz NPWVZFQXLGSNFB-INIZCTEOSA-N 1 0 284.444 2.430 10 0 CEAERO CCOC[C@H](O)COc1ccc(Cl)cc1[C@@H](C)[NH3+] ZINC000069275788 520164445 /nfs/dbraw/zinc/16/44/45/520164445.db2.gz JEESHYYKPZWGMI-KOLCDFICSA-N 1 0 273.760 2.136 10 0 CEAERO CCCNc1snnc1CN(CC[NH+](C)C)CC(C)C ZINC000050814882 520201926 /nfs/dbraw/zinc/20/19/26/520201926.db2.gz YYNDXEXZALFYAT-UHFFFAOYSA-N 1 0 299.488 2.380 10 0 CEAERO CC[NH2+][C@](C)(C[C@H](C)Oc1ccccc1CC)C(N)=O ZINC000068657446 520242365 /nfs/dbraw/zinc/24/23/65/520242365.db2.gz UYTWDOWKSQYSEL-BLLLJJGKSA-N 1 0 278.396 2.260 10 0 CEAERO CCO[C@@H](C[NH3+])CCN(C)c1cc(C)cc(C)c1 ZINC000062741219 520306307 /nfs/dbraw/zinc/30/63/07/520306307.db2.gz ARIGJTCVJNGNRF-OAHLLOKOSA-N 1 0 250.386 2.494 10 0 CEAERO CCO[C@@H](C[NH3+])CCN(CC(F)(F)F)C(C)C ZINC000062741189 520307354 /nfs/dbraw/zinc/30/73/54/520307354.db2.gz CYEODAKUCHWOAQ-SNVBAGLBSA-N 1 0 256.312 2.013 10 0 CEAERO CCCC[C@@H](C)NS(=O)(=O)c1cccc(C[NH3+])c1 ZINC000050888227 521009884 /nfs/dbraw/zinc/00/98/84/521009884.db2.gz YWGIADQHQFDFQW-LLVKDONJSA-N 1 0 270.398 2.002 10 0 CEAERO CCOC(=O)[C@@H](CC[N@H+](C)C1CCCCCC1)NC ZINC000062451172 521054962 /nfs/dbraw/zinc/05/49/62/521054962.db2.gz YSXCXBFZDFZTKU-CQSZACIVSA-N 1 0 270.417 2.182 10 0 CEAERO CC[N@H+](CC[C@@H]1CCCC[NH+]1C)[C@@H](C)CC(=O)[O-] ZINC000061182553 521158063 /nfs/dbraw/zinc/15/80/63/521158063.db2.gz IZXFZMPUKQFEIW-STQMWFEESA-N 1 0 256.390 2.046 10 0 CEAERO CCOC(=O)[C@@](C[N@H+](CC)C(C)C)(NC1CC1)C1CC1 ZINC000069097143 521167267 /nfs/dbraw/zinc/16/72/67/521167267.db2.gz DZEFOLQHKRQBCO-INIZCTEOSA-N 1 0 282.428 2.181 10 0 CEAERO CCOC(=O)[C@H](CC[N@H+](C)CC(C)(C)C)NC1CC1 ZINC000062523060 521240681 /nfs/dbraw/zinc/24/06/81/521240681.db2.gz MRDNSOOQFIWXNA-ZDUSSCGKSA-N 1 0 270.417 2.038 10 0 CEAERO CCOC(=O)[C@H](CC[N@H+]1C[C@H](C)C[C@H](C)C1)NC(C)C ZINC000062439371 521244192 /nfs/dbraw/zinc/24/41/92/521244192.db2.gz CLLSFBSBDYYRDQ-ZNMIVQPWSA-N 1 0 284.444 2.284 10 0 CEAERO CCC(C)(C)[N@H+](C)CC(=O)Nc1cccc(C[NH3+])c1 ZINC000069429287 521301495 /nfs/dbraw/zinc/30/14/95/521301495.db2.gz WZGBKAARLJUYBF-UHFFFAOYSA-N 1 0 263.385 2.204 10 0 CEAERO CCOC(=O)[C@](C)([NH3+])C[C@@H](C)n1ccc(C(F)(F)F)n1 ZINC000068649331 521330012 /nfs/dbraw/zinc/33/00/12/521330012.db2.gz MFXAZLIRZZPSJI-LDYMZIIASA-N 1 0 293.289 2.134 10 0 CEAERO CCOC(=O)[C@](C[N@H+](C)[C@@H](C)CC(C)C)(NC)C1CC1 ZINC000069140067 521340349 /nfs/dbraw/zinc/34/03/49/521340349.db2.gz UJBKYQYTCRAQFX-XJKSGUPXSA-N 1 0 284.444 2.284 10 0 CEAERO CCC[N@H+](CC1CC1)C[C@](NCC)(C(=O)OCC)C1CC1 ZINC000069131917 521625846 /nfs/dbraw/zinc/62/58/46/521625846.db2.gz HDDCASCITSMTCK-QGZVFWFLSA-N 1 0 296.455 2.430 10 0 CEAERO CCS(=O)(=O)CC[C@@H](C[NH2+]C)Cc1cccc(C)c1 ZINC000052976383 521644737 /nfs/dbraw/zinc/64/47/37/521644737.db2.gz KZWSLNGEPAQINN-OAHLLOKOSA-N 1 0 283.437 2.198 10 0 CEAERO C[NH2+]Cc1ccccc1OCCn1cnc(C)c1C ZINC000052593535 522138362 /nfs/dbraw/zinc/13/83/62/522138362.db2.gz HHKSFWACKGVDGQ-UHFFFAOYSA-N 1 0 259.353 2.298 10 0 CEAERO COC(=O)c1cc(CN2CC[N@@H+]3CCCC[C@H]3C2)cs1 ZINC000411379063 533794134 /nfs/dbraw/zinc/79/41/34/533794134.db2.gz AYCGYXDEXJQSAE-ZDUSSCGKSA-N 1 0 294.420 2.205 10 0 CEAERO CN[C@@](C[NH+](CC(C)C)CC(C)C)(C(=O)OC)C1CC1 ZINC000069100884 522426096 /nfs/dbraw/zinc/42/60/96/522426096.db2.gz JUYYLOXWEVWXIR-MRXNPFEDSA-N 1 0 284.444 2.142 10 0 CEAERO CCCn1c(=O)[nH]nc1S[C@H]1CCCC(C)(C)[C@H]1[NH2+]C ZINC000094283870 517623074 /nfs/dbraw/zinc/62/30/74/517623074.db2.gz FPRIQKUKOOZRSX-QWRGUYRKSA-N 1 0 298.456 2.240 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000037750117 517758827 /nfs/dbraw/zinc/75/88/27/517758827.db2.gz YZYMQNPMMJYIDW-ZJUUUORDSA-N 1 0 266.307 2.175 10 0 CEAERO Brc1cnn(CCC[C@@H]2CCC[NH2+]2)c1 ZINC000052764876 518235851 /nfs/dbraw/zinc/23/58/51/518235851.db2.gz MDXNOVVCWMPMIQ-JTQLQIEISA-N 1 0 258.163 2.178 10 0 CEAERO CC(C)(C(=O)N1CC[NH2+]CC1(C)C)c1ccccc1 ZINC000062656959 518514123 /nfs/dbraw/zinc/51/41/23/518514123.db2.gz MFPRSYPIBRCKFJ-UHFFFAOYSA-N 1 0 260.381 2.175 10 0 CEAERO CC(C)(C)C1CCC(C(=O)NC2CC([NH3+])C2)CC1 ZINC000054668121 518602826 /nfs/dbraw/zinc/60/28/26/518602826.db2.gz CKTMNXGSKJFSSF-UHFFFAOYSA-N 1 0 252.402 2.445 10 0 CEAERO CC(C)(C)[N@H+](CCC[NH+]1CCCC1)CCC(=O)[O-] ZINC000049333871 518702667 /nfs/dbraw/zinc/70/26/67/518702667.db2.gz FXMLMDNJERDCDU-UHFFFAOYSA-N 1 0 256.390 2.048 10 0 CEAERO CC(C)(C)[NH2+]C[C@H]1CCCCN1Cc1ncccn1 ZINC000054460370 518761274 /nfs/dbraw/zinc/76/12/74/518761274.db2.gz VDQIBAHANYFTBA-CYBMUJFWSA-N 1 0 262.401 2.219 10 0 CEAERO CC(C)(C)[NH2+]Cc1cc(CN2CCO[C@@H]3CCC[C@@H]32)on1 ZINC000052540238 518763578 /nfs/dbraw/zinc/76/35/78/518763578.db2.gz AIAZIULMVFWTKQ-LSDHHAIUSA-N 1 0 293.411 2.316 10 0 CEAERO CC(C)(C)OC[C@H](O)C[NH2+]CCc1cc(F)cc(F)c1 ZINC000060718548 518881586 /nfs/dbraw/zinc/88/15/86/518881586.db2.gz NPTAULWIOXMZTN-CQSZACIVSA-N 1 0 287.350 2.273 10 0 CEAERO CC(C)C[C@H](C)OCCC[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000045503849 519324112 /nfs/dbraw/zinc/32/41/12/519324112.db2.gz ZJZIMMCJGIJSHE-DZGCQCFKSA-N 1 0 272.433 2.460 10 0 CEAERO CC(C)N(CC(F)(F)F)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000055089508 519638143 /nfs/dbraw/zinc/63/81/43/519638143.db2.gz IEOALPURGSVBNM-ZJUUUORDSA-N 1 0 266.307 2.303 10 0 CEAERO CC(C)N(CCC[NH3+])C(=O)c1ccc2ncccc2c1 ZINC000061410313 519643129 /nfs/dbraw/zinc/64/31/29/519643129.db2.gz JABLTQPSKBFLCM-UHFFFAOYSA-N 1 0 271.364 2.434 10 0 CEAERO CC(C)CCC[C@H](C)NS(=O)(=O)C[C@H]1CCC[NH2+]C1 ZINC000049645558 519647906 /nfs/dbraw/zinc/64/79/06/519647906.db2.gz NAPMKXZWJGJQGX-KBPBESRZSA-N 1 0 290.473 2.120 10 0 CEAERO CC(C)CC[NH+]1CCN(C(=O)c2ccc(F)nc2)CC1 ZINC000070083525 519653450 /nfs/dbraw/zinc/65/34/50/519653450.db2.gz YWEXQRXCDAFJAN-UHFFFAOYSA-N 1 0 279.359 2.025 10 0 CEAERO CC(C)CC[NH2+]C[C@@H](C)N1CCN(c2nccs2)CC1 ZINC000053488399 519663223 /nfs/dbraw/zinc/66/32/23/519663223.db2.gz NIBXTBHGFWLDLD-CQSZACIVSA-N 1 0 296.484 2.289 10 0 CEAERO CC(C)N1C(=O)C[C@H]([NH2+][C@H]2CCCc3sccc32)C1=O ZINC000061361941 519667469 /nfs/dbraw/zinc/66/74/69/519667469.db2.gz HPDJSIXMKHEAIA-RYUDHWBXSA-N 1 0 292.404 2.251 10 0 CEAERO CC(C)N1CC[NH+]([C@@H](CC(N)=S)c2ccccc2)CC1 ZINC000055024731 519683227 /nfs/dbraw/zinc/68/32/27/519683227.db2.gz KEFGVVDNCVXIKL-HNNXBMFYSA-N 1 0 291.464 2.430 10 0 CEAERO CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C(=O)[O-])cc2)C1 ZINC000050920938 519688328 /nfs/dbraw/zinc/68/83/28/519688328.db2.gz CWSLYLQEDQWOMV-CQSZACIVSA-N 1 0 276.380 2.205 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)CCc2ccccc2)[C@@H](C)C1 ZINC000155550798 519695891 /nfs/dbraw/zinc/69/58/91/519695891.db2.gz KYJHBKZBPNZVEE-HOCLYGCPSA-N 1 0 274.408 2.464 10 0 CEAERO CC(C)C[N@H+](CC[C@@H]([NH2+]C(C)C)C(=O)[O-])C(C)C ZINC000062525351 519717368 /nfs/dbraw/zinc/71/73/68/519717368.db2.gz MFSDSLGQXNLYTE-CYBMUJFWSA-N 1 0 258.406 2.194 10 0 CEAERO CC(C)[NH2+]CCCCn1nnc(-c2ccccc2)n1 ZINC000052574612 519720426 /nfs/dbraw/zinc/72/04/26/519720426.db2.gz WBKNPMTUEQDNJL-UHFFFAOYSA-N 1 0 259.357 2.118 10 0 CEAERO CC(C)[NH2+]Cc1cnc(N2C[C@H](C)O[C@@H](C)C2)s1 ZINC000054900501 519728385 /nfs/dbraw/zinc/72/83/85/519728385.db2.gz FEEQVYWYWSBYEP-QWRGUYRKSA-N 1 0 269.414 2.255 10 0 CEAERO CC(C)C[NH+]1CCN(c2c(F)cc(CO)cc2F)CC1 ZINC000062722408 519728411 /nfs/dbraw/zinc/72/84/11/519728411.db2.gz IDYQBHIDUGGAFX-UHFFFAOYSA-N 1 0 284.350 2.235 10 0 CEAERO CC(C)C[NH+]1CCN(c2n[nH]c(=S)n2C2CC2)CC1 ZINC000055080506 519729234 /nfs/dbraw/zinc/72/92/34/519729234.db2.gz KIGMSOKAHRJUPT-UHFFFAOYSA-N 1 0 281.429 2.054 10 0 CEAERO CC(C)[NH2+]Cc1nnnn1[C@@H](C)CCc1ccccc1 ZINC000054747878 519729791 /nfs/dbraw/zinc/72/97/91/519729791.db2.gz ZXUZYMAAQWJMAM-ZDUSSCGKSA-N 1 0 273.384 2.365 10 0 CEAERO CC(C)[NH2+]Cc1nnnn1-c1cc(Cl)ccc1Cl ZINC000054744236 519729841 /nfs/dbraw/zinc/72/98/41/519729841.db2.gz IZNFBDZMFGTMND-UHFFFAOYSA-N 1 0 286.166 2.467 10 0 CEAERO CC(=O)Nc1ccc([C@@H](O)[C@H]([NH3+])Cc2ccccc2)cc1 ZINC000054686138 519733418 /nfs/dbraw/zinc/73/34/18/519733418.db2.gz CUOPHOSRJHFRES-IAGOWNOFSA-N 1 0 284.359 2.248 10 0 CEAERO CC(C)[NH2+][C@@](C)(CCCn1cnc2ccccc21)C(N)=O ZINC000045434080 519736080 /nfs/dbraw/zinc/73/60/80/519736080.db2.gz UYQMUJQKSQHKOT-INIZCTEOSA-N 1 0 288.395 2.059 10 0 CEAERO CC(C)N[C@@](C[N@H+](C)[C@@H]1CCC[C@@H](C)C1)(C(N)=O)C1CC1 ZINC000069131873 519736923 /nfs/dbraw/zinc/73/69/23/519736923.db2.gz XLVSANGIAVCUOI-FRFSOERESA-N 1 0 295.471 2.129 10 0 CEAERO CC(C)[NH2+][C@](C)(C[C@@H](C)[NH+]1CCCCC1)C(=O)[O-] ZINC000068620384 519739735 /nfs/dbraw/zinc/73/97/35/519739735.db2.gz YIKAGFAQDAOBAO-TZMCWYRMSA-N 1 0 256.390 2.092 10 0 CEAERO CC(C)[NH2+][C@](C)(C[C@H](C)N1Cc2ccccc2C1)C(N)=O ZINC000068642044 519740220 /nfs/dbraw/zinc/74/02/20/519740220.db2.gz ZXDLVYPYZBDFBZ-SUMWQHHRSA-N 1 0 289.423 2.023 10 0 CEAERO CC(C)C[NH2+]CC1(CN2CCOC(C)(C)C2)CCOCC1 ZINC000052181943 519742913 /nfs/dbraw/zinc/74/29/13/519742913.db2.gz VMOCQRXGVBQFFY-UHFFFAOYSA-N 1 0 298.471 2.140 10 0 CEAERO CC(C)C[NH2+]C[C@@H]1CC[C@H](CN(C)CC(F)(F)F)O1 ZINC000052483401 519745159 /nfs/dbraw/zinc/74/51/59/519745159.db2.gz KZFBDDMKCFRYSD-NWDGAFQWSA-N 1 0 282.350 2.274 10 0 CEAERO CC(C)C[NH2+]C[C@@H]1CC[C@H](COCCOC(C)C)O1 ZINC000052627609 519745278 /nfs/dbraw/zinc/74/52/78/519745278.db2.gz YSHPZAUTSRSXMI-LSDHHAIUSA-N 1 0 273.417 2.221 10 0 CEAERO CC(C)C[NH2+]Cc1ccccc1N(CC(N)=O)C(C)C ZINC000062737574 519747732 /nfs/dbraw/zinc/74/77/32/519747732.db2.gz KATFVWJUBMFARF-UHFFFAOYSA-N 1 0 277.412 2.132 10 0 CEAERO CC(C)C[NH2+]Cc1ccccc1N1CCCC[C@H]1C(N)=O ZINC000062737537 519747796 /nfs/dbraw/zinc/74/77/96/519747796.db2.gz JVTIBJVPJKHHEU-INIZCTEOSA-N 1 0 289.423 2.276 10 0 CEAERO CC(C)COc1cccc(C(=O)N2CCC[C@H]([NH3+])C2)c1 ZINC000158073817 519764000 /nfs/dbraw/zinc/76/40/00/519764000.db2.gz YYTADJAYDPCLLN-AWEZNQCLSA-N 1 0 276.380 2.285 10 0 CEAERO CC(C)OCCOc1ccc(Cl)cc1C(N)=[NH2+] ZINC000052860298 519768861 /nfs/dbraw/zinc/76/88/61/519768861.db2.gz ZKABRCDMQWVNLG-UHFFFAOYSA-N 1 0 256.733 2.428 10 0 CEAERO CC(C)Oc1nc(N[C@H](C)CC[NH+](C)C)ccc1N ZINC000049555351 519785832 /nfs/dbraw/zinc/78/58/32/519785832.db2.gz QWMZAIAYPAGVOJ-LLVKDONJSA-N 1 0 266.389 2.203 10 0 CEAERO CC(C)[C@@H]1CCC(=O)[C@H](C[NH+]2CCC(CO)CC2)C1 ZINC000054558809 519801784 /nfs/dbraw/zinc/80/17/84/519801784.db2.gz NEZIPMQNXIAMKX-CABCVRRESA-N 1 0 267.413 2.332 10 0 CEAERO CC(C)[C@H](C[NH+](C)C)NC(=O)c1c[nH]c2cc(N)ccc12 ZINC000049192078 519814148 /nfs/dbraw/zinc/81/41/48/519814148.db2.gz HTTDWANIHLVKMH-HNNXBMFYSA-N 1 0 288.395 2.066 10 0 CEAERO CC(C)[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1=O)c1cccs1 ZINC000049554883 519821590 /nfs/dbraw/zinc/82/15/90/519821590.db2.gz CWMMBUHFAGCYDS-FZMZJTMJSA-N 1 0 292.404 2.325 10 0 CEAERO CC(C)c1ccc(C[C@@H](C[NH3+])[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000052946408 519836498 /nfs/dbraw/zinc/83/64/98/519836498.db2.gz SNUUTQFELQYKKE-CVEARBPZSA-N 1 0 295.448 2.362 10 0 CEAERO CCC1CCN(C(=O)[C@H]2CCC[C@H](C[NH3+])C2)CC1 ZINC000055161454 519858430 /nfs/dbraw/zinc/85/84/30/519858430.db2.gz NJXOIFPLUQZLOB-KBPBESRZSA-N 1 0 252.402 2.400 10 0 CEAERO CCCN1CCO[C@@H](C[NH2+]C)[C@@H]1c1ccccc1OCC ZINC000070288453 519861168 /nfs/dbraw/zinc/86/11/68/519861168.db2.gz LGVDEDPJCQJXFH-IRXDYDNUSA-N 1 0 292.423 2.457 10 0 CEAERO CC(C)c1nc(CN2[C@@H](C)C[NH2+]C[C@@H]2C)cs1 ZINC000069134788 519863646 /nfs/dbraw/zinc/86/36/46/519863646.db2.gz CJDWJYAMAXCHJJ-QWRGUYRKSA-N 1 0 253.415 2.449 10 0 CEAERO CCCC1CC[NH+](CC[C@](C)(NCC)C(=O)OC)CC1 ZINC000050905741 519901334 /nfs/dbraw/zinc/90/13/34/519901334.db2.gz WZHBVCHLPXCVRY-INIZCTEOSA-N 1 0 284.444 2.430 10 0 CEAERO CCCC1CC[NH+]([C@H]2CC3(CC[C@@H]2O)OCCO3)CC1 ZINC000050905292 519903198 /nfs/dbraw/zinc/90/31/98/519903198.db2.gz CKPGIMHMRSOSSM-GJZGRUSLSA-N 1 0 283.412 2.155 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N1CCC(Oc2ccccc2)CC1 ZINC000061293273 519903965 /nfs/dbraw/zinc/90/39/65/519903965.db2.gz MYVBJUDGRMCPQT-UHFFFAOYSA-N 1 0 290.407 2.445 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N[C@@H](C)c1cc(OC)ccc1OC ZINC000061292128 519905545 /nfs/dbraw/zinc/90/55/45/519905545.db2.gz NSINYRKICHOEGV-NSHDSACASA-N 1 0 294.395 2.269 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1cc(C(=O)OC)ccc1C ZINC000061290764 519905968 /nfs/dbraw/zinc/90/59/68/519905968.db2.gz SOXJFOGMRMWNLF-UHFFFAOYSA-N 1 0 278.352 2.108 10 0 CEAERO CCC[NH2+]C1CCN(C(=O)[C@@H](OC)c2ccccc2)CC1 ZINC000050436840 519906893 /nfs/dbraw/zinc/90/68/93/519906893.db2.gz JVMWYGRPVFMAHJ-INIZCTEOSA-N 1 0 290.407 2.365 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1ccc2oc(C)nc2c1 ZINC000061298705 519907367 /nfs/dbraw/zinc/90/73/67/519907367.db2.gz NPBMPWPITAMYLO-UHFFFAOYSA-N 1 0 261.325 2.463 10 0 CEAERO CC[NH2+]CCC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000061292693 519917380 /nfs/dbraw/zinc/91/73/80/519917380.db2.gz BCEUNCNDCQFOJR-ZJUUUORDSA-N 1 0 266.307 2.223 10 0 CEAERO CC[NH2+]CCC(=O)Nc1ccc(F)cc1OCC ZINC000061292862 519918142 /nfs/dbraw/zinc/91/81/42/519918142.db2.gz WKBIUMBMTDRAPB-UHFFFAOYSA-N 1 0 254.305 2.163 10 0 CEAERO CC[NH2+]CCC(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000061292201 519918511 /nfs/dbraw/zinc/91/85/11/519918511.db2.gz KTEYNWBYUGLYMN-UHFFFAOYSA-N 1 0 270.336 2.082 10 0 CEAERO CCC[NH2+]C[C@@H]1CC[C@@H](Cn2ccc(C(F)(F)F)n2)O1 ZINC000052592654 519924586 /nfs/dbraw/zinc/92/45/86/519924586.db2.gz HXCRLDMVSKZXKR-QWRGUYRKSA-N 1 0 291.317 2.449 10 0 CEAERO CCC[NH2+]C[C@H](O)c1ccc(OC)c(Br)c1 ZINC000049886077 519933291 /nfs/dbraw/zinc/93/32/91/519933291.db2.gz FFTGVGACECPICQ-NSHDSACASA-N 1 0 288.185 2.491 10 0 CEAERO CCC[NH2+]C[C@H]1CCCCN1c1cc(CC)ncn1 ZINC000053699035 519935194 /nfs/dbraw/zinc/93/51/94/519935194.db2.gz OYXCEBKMINEVBI-CQSZACIVSA-N 1 0 262.401 2.398 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N[C@H](C)c1cc(C)oc1C ZINC000061268001 519937400 /nfs/dbraw/zinc/93/74/00/519937400.db2.gz KHDBTSHJRISYCH-MWLCHTKSSA-N 1 0 252.358 2.319 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(=O)OC ZINC000061231033 519940037 /nfs/dbraw/zinc/94/00/37/519940037.db2.gz AXDWIEPIYDDHSC-SECBINFHSA-N 1 0 298.770 2.311 10 0 CEAERO CC[NH2+]C[C@@H](C)N1CCN(c2cccc(Cl)c2)CC1 ZINC000052418971 519942731 /nfs/dbraw/zinc/94/27/31/519942731.db2.gz BOLZSWMPBZBCQG-CYBMUJFWSA-N 1 0 281.831 2.460 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1cccnc1OC(C)C ZINC000061267619 519943677 /nfs/dbraw/zinc/94/36/77/519943677.db2.gz IAJRVQIAKATOSK-LLVKDONJSA-N 1 0 265.357 2.053 10 0 CEAERO CC[NH2+]C[C@@H](C)c1nc2cc(Br)cnc2[nH]1 ZINC000061219414 519945292 /nfs/dbraw/zinc/94/52/92/519945292.db2.gz QWZFRJNGYQJQSA-SSDOTTSWSA-N 1 0 283.173 2.433 10 0 CEAERO CCC[NH2+]Cc1cc(OC)ccc1O[C@H]1CCOC1 ZINC000070071478 519946923 /nfs/dbraw/zinc/94/69/23/519946923.db2.gz UTIYTPIKFFPLRI-AWEZNQCLSA-N 1 0 265.353 2.363 10 0 CEAERO CCC[NH2+]Cc1ccc(N(C)C2CCOCC2)nc1 ZINC000051446749 519949630 /nfs/dbraw/zinc/94/96/30/519949630.db2.gz OYBYFBVNHFNGCR-UHFFFAOYSA-N 1 0 263.385 2.196 10 0 CEAERO CCC[NH2+]Cc1ccc(OC[C@@H](O)C(F)(F)F)cc1 ZINC000068875911 519952577 /nfs/dbraw/zinc/95/25/77/519952577.db2.gz OQRJJWOLPAJADD-GFCCVEGCSA-N 1 0 277.286 2.488 10 0 CEAERO CCC[NH2+]Cc1ccccc1OCCN1CCOC[C@H]1C ZINC000052475891 519956426 /nfs/dbraw/zinc/95/64/26/519956426.db2.gz BXNAIENQGGASCA-OAHLLOKOSA-N 1 0 292.423 2.286 10 0 CEAERO CCC[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000051522214 519958299 /nfs/dbraw/zinc/95/82/99/519958299.db2.gz QNZZXKZTYRMRMU-UHFFFAOYSA-N 1 0 250.342 2.139 10 0 CEAERO CCC[NH2+]Cc1ccnc(-n2nnc3ccccc32)c1 ZINC000051491693 519959485 /nfs/dbraw/zinc/95/94/85/519959485.db2.gz JCGDDTFJLGZTSB-UHFFFAOYSA-N 1 0 267.336 2.315 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000061228626 519963198 /nfs/dbraw/zinc/96/31/98/519963198.db2.gz QKGPIKIHIQHGQD-JTQLQIEISA-N 1 0 254.761 2.202 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N[C@H]1CCCc2sccc21 ZINC000061366030 519965780 /nfs/dbraw/zinc/96/57/80/519965780.db2.gz HEENKUMOKZAALO-JQWIXIFHSA-N 1 0 266.410 2.487 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccc(OC)cc1C ZINC000061568261 519967067 /nfs/dbraw/zinc/96/70/67/519967067.db2.gz GERAVIFBUBNIHV-NSHDSACASA-N 1 0 250.342 2.188 10 0 CEAERO CCC[NH2+]Cc1nnnn1-c1c(C)cc(C)cc1C ZINC000054744226 519968234 /nfs/dbraw/zinc/96/82/34/519968234.db2.gz GRWARZQWURMIKL-UHFFFAOYSA-N 1 0 259.357 2.087 10 0 CEAERO CCC[NH2+]Cc1nnnn1[C@@H](C)c1ccccc1C ZINC000054747902 519969826 /nfs/dbraw/zinc/96/98/26/519969826.db2.gz PUMJGODGDMNNDS-LBPRGKRZSA-N 1 0 259.357 2.090 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1nc(C(C)C)cs1 ZINC000061267761 519970240 /nfs/dbraw/zinc/97/02/40/519970240.db2.gz HDGGXOBSWLEQAN-VIFPVBQESA-N 1 0 255.387 2.451 10 0 CEAERO CC[NH2+]C[C@H]1C[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000054590591 519981621 /nfs/dbraw/zinc/98/16/21/519981621.db2.gz SIAHIQMAJRAIOZ-PWSUYJOCSA-N 1 0 265.353 2.425 10 0 CEAERO CC[NH2+]C[C@H]1OCCN(C)[C@@H]1c1ccc2ncccc2c1 ZINC000070285003 519981701 /nfs/dbraw/zinc/98/17/01/519981701.db2.gz RAHAUIXPKMXYHW-IAGOWNOFSA-N 1 0 285.391 2.216 10 0 CEAERO CC[NH2+]C[C@H]1CC[C@H](Cn2cnc3ccccc32)O1 ZINC000052576430 519981723 /nfs/dbraw/zinc/98/17/23/519981723.db2.gz TWPHUACGOCSSHF-CHWSQXEVSA-N 1 0 259.353 2.193 10 0 CEAERO CC[NH2+]C[C@]1(Cc2ccc(OC)c(F)c2)CCOC1 ZINC000054664044 519983123 /nfs/dbraw/zinc/98/31/23/519983123.db2.gz OEQQUYYJKWGSJB-OAHLLOKOSA-N 1 0 267.344 2.393 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccc(F)cc1O[C@H](C)C(=O)NC ZINC000062747406 519988635 /nfs/dbraw/zinc/98/86/35/519988635.db2.gz SGGGUOIPUQXVHV-WDEREUQCSA-N 1 0 282.359 2.400 10 0 CEAERO CC[NH2+]Cc1cc(C)nc(Cc2ccc(OC)cc2)n1 ZINC000054831259 519988736 /nfs/dbraw/zinc/98/87/36/519988736.db2.gz ODEXUYRTZBPCDT-UHFFFAOYSA-N 1 0 271.364 2.494 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccc(OC)c(CS(C)(=O)=O)c1 ZINC000054930636 519988804 /nfs/dbraw/zinc/98/88/04/519988804.db2.gz CTZNPPLKIRKWBN-NSHDSACASA-N 1 0 285.409 2.300 10 0 CEAERO CC[NH2+]Cc1cc(CN2C[C@@H](C)OC[C@@H]2C)c(C)o1 ZINC000052476717 519989908 /nfs/dbraw/zinc/98/99/08/519989908.db2.gz JXOVYBYULZKNML-NWDGAFQWSA-N 1 0 266.385 2.307 10 0 CEAERO CC[NH2+]Cc1cc(CN2C[C@@H](C)O[C@@H](C)C2)oc1C ZINC000052380322 519990528 /nfs/dbraw/zinc/99/05/28/519990528.db2.gz DSIIEOVBLKFREN-TXEJJXNPSA-N 1 0 266.385 2.307 10 0 CEAERO CCC[NH2+][C@@H](c1cc(F)ccc1F)[C@@H]1COCCO1 ZINC000055300491 520015317 /nfs/dbraw/zinc/01/53/17/520015317.db2.gz BCJJTMZISSCPGT-KBPBESRZSA-N 1 0 271.307 2.421 10 0 CEAERO CCC[NH2+][C@@H](c1cc(F)ccc1OC)[C@H]1COCCO1 ZINC000055300669 520015683 /nfs/dbraw/zinc/01/56/83/520015683.db2.gz QJTSALDWMUBGHL-CABCVRRESA-N 1 0 283.343 2.290 10 0 CEAERO CC[NH2+]Cc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC000053294387 520017376 /nfs/dbraw/zinc/01/73/76/520017376.db2.gz GIDJNCIACAVRJG-UHFFFAOYSA-N 1 0 296.417 2.323 10 0 CEAERO CC[NH2+]Cc1cnn(Cc2cc(F)ccc2F)c1 ZINC000054719387 520018102 /nfs/dbraw/zinc/01/81/02/520018102.db2.gz AIOUCIGRWZJVDZ-UHFFFAOYSA-N 1 0 251.280 2.319 10 0 CEAERO CC[NH2+]Cc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC000052381046 520020219 /nfs/dbraw/zinc/02/02/19/520020219.db2.gz ZLPOTYFOUMQKKS-LLVKDONJSA-N 1 0 253.415 2.485 10 0 CEAERO CC[NH2+]Cc1nc(Cn2nc(C)cc2C)cs1 ZINC000052576000 520020862 /nfs/dbraw/zinc/02/08/62/520020862.db2.gz ISFBNHFBRMGCEO-UHFFFAOYSA-N 1 0 250.371 2.114 10 0 CEAERO CCC[NH2+][C@@H]1CCN(c2ccccc2OCC)C1=O ZINC000049647479 520024111 /nfs/dbraw/zinc/02/41/11/520024111.db2.gz SIGCPQDEJVWKHL-GFCCVEGCSA-N 1 0 262.353 2.190 10 0 CEAERO CCC[NH2+][C@@H]1CCc2c1cccc2OC[C@@H]1CNC(=O)O1 ZINC000062799892 520027124 /nfs/dbraw/zinc/02/71/24/520027124.db2.gz UVAYHJWBMVHSCW-SMDDNHRTSA-N 1 0 290.363 2.161 10 0 CEAERO CCCN[C@@](C)(C[N@@H+]1CCCC(C)(C)C1)C(=O)OCC ZINC000069516723 520038578 /nfs/dbraw/zinc/03/85/78/520038578.db2.gz KCKWCRWDHCHQBV-INIZCTEOSA-N 1 0 284.444 2.430 10 0 CEAERO CCCN[C@@](C)(C[C@@H](C)[N@H+](CC(C)C)C1CC1)C(N)=O ZINC000068632882 520040496 /nfs/dbraw/zinc/04/04/96/520040496.db2.gz TVKIBCLOWNEVTK-CJNGLKHVSA-N 1 0 283.460 2.129 10 0 CEAERO CCCN[C@@](C[N@H+](C)[C@@H]1CCCC[C@@H]1C)(C(N)=O)C1CC1 ZINC000069132431 520048833 /nfs/dbraw/zinc/04/88/33/520048833.db2.gz FKRBVDJZHYCPGN-YSVLISHTSA-N 1 0 295.471 2.131 10 0 CEAERO CCC[NH2+][C@@](CO[C@@H]1CCCC[C@@H]1C)(C(N)=O)C1CC1 ZINC000069196125 520055356 /nfs/dbraw/zinc/05/53/56/520055356.db2.gz RJWUOTDDKROIAB-JGGQBBKZSA-N 1 0 282.428 2.215 10 0 CEAERO CC[NH2+][C@@H](CC[N@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000062451249 520084637 /nfs/dbraw/zinc/08/46/37/520084637.db2.gz XKTJODMHOKBHJT-ZDUSSCGKSA-N 1 0 256.390 2.094 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N(C)c1cccc(OC)c1 ZINC000061274525 520060541 /nfs/dbraw/zinc/06/05/41/520060541.db2.gz RVEGLJKDORIPQT-NSHDSACASA-N 1 0 250.342 2.046 10 0 CEAERO CCC[NH2+][C@H](C)c1ccc(F)cc1OCC(=O)OC ZINC000062747371 520063794 /nfs/dbraw/zinc/06/37/94/520063794.db2.gz WKSMZZTVPXGQMK-SNVBAGLBSA-N 1 0 269.316 2.438 10 0 CEAERO CCC[NH2+][C@H](C)c1cccc(NC(=O)COC)c1 ZINC000048631586 520065751 /nfs/dbraw/zinc/06/57/51/520065751.db2.gz IKPXRRAIDYFNME-LLVKDONJSA-N 1 0 250.342 2.332 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1cccnc1N1CCCC1 ZINC000061270270 520070670 /nfs/dbraw/zinc/07/06/70/520070670.db2.gz YLDYEUVPOXSYMV-LBPRGKRZSA-N 1 0 276.384 2.008 10 0 CEAERO CCCN[C@H](CC[N@H+](CC(C)C)C1CC1)C(=O)OC ZINC000062461280 520072402 /nfs/dbraw/zinc/07/24/02/520072402.db2.gz UGZFXRWNAWPTAY-CQSZACIVSA-N 1 0 270.417 2.038 10 0 CEAERO CC[NH2+][C@@H](C)[C@@H](O)c1ccc(OC)c(Br)c1 ZINC000069939456 520074913 /nfs/dbraw/zinc/07/49/13/520074913.db2.gz PYVJVWZTEUAKCE-QPUJVOFHSA-N 1 0 288.185 2.489 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(F)cc1O[C@H](C)C(=O)N(C)C ZINC000062747004 520075829 /nfs/dbraw/zinc/07/58/29/520075829.db2.gz SGNDISJUHYBQAR-WDEREUQCSA-N 1 0 282.359 2.352 10 0 CEAERO CC[NH2+][C@@H](C)c1cccc(NC(=O)c2cc[nH]n2)c1 ZINC000062775432 520078009 /nfs/dbraw/zinc/07/80/09/520078009.db2.gz JGOJDRFWHGPVPJ-JTQLQIEISA-N 1 0 258.325 2.333 10 0 CEAERO CC[NH2+][C@@H](CC)COc1ccc2c(c1)CCC(=O)N2 ZINC000050180806 520081485 /nfs/dbraw/zinc/08/14/85/520081485.db2.gz PMCMSXSTLGFVHY-LBPRGKRZSA-N 1 0 262.353 2.338 10 0 CEAERO CCC[NH2+][C@H](CS(C)(=O)=O)c1cc(C)cc(C)c1 ZINC000052789268 520085208 /nfs/dbraw/zinc/08/52/08/520085208.db2.gz OHPLBTZZUYUOFT-CQSZACIVSA-N 1 0 269.410 2.389 10 0 CEAERO CCC[NH2+][C@H](c1nccn1C)c1ccc2c(c1)CCO2 ZINC000050892639 520090430 /nfs/dbraw/zinc/09/04/30/520090430.db2.gz IWPBFWMLBJXAOK-HNNXBMFYSA-N 1 0 271.364 2.444 10 0 CEAERO CC[NH2+][C@@H](CCSc1ccc(C)c(C)c1)C(N)=O ZINC000062599731 520095223 /nfs/dbraw/zinc/09/52/23/520095223.db2.gz GJEBQXDMEJYLJZ-ZDUSSCGKSA-N 1 0 266.410 2.249 10 0 CEAERO CC[NH2+][C@@H](c1ccc(OC)c(OC)c1)[C@H]1CCOC1 ZINC000048624456 520109755 /nfs/dbraw/zinc/10/97/55/520109755.db2.gz LYPFNAIJBSGSHU-WFASDCNBSA-N 1 0 265.353 2.391 10 0 CEAERO CC[NH2+][C@@H](c1ccc2c(c1)oc(=O)n2C)[C@@H]1CCCOC1 ZINC000062234922 520111317 /nfs/dbraw/zinc/11/13/17/520111317.db2.gz FOYLFHMFPHWQLC-DOMZBBRYSA-N 1 0 290.363 2.209 10 0 CEAERO CCCCCC[C@@H](C)NS(=O)(=O)CCCC[NH3+] ZINC000049204463 520118315 /nfs/dbraw/zinc/11/83/15/520118315.db2.gz WRVJTODADSYOAM-GFCCVEGCSA-N 1 0 264.435 2.004 10 0 CEAERO CCCN[C@](C[NH+]1CCCCCC1)(C(=O)OC)C1CC1 ZINC000069095032 520121239 /nfs/dbraw/zinc/12/12/39/520121239.db2.gz KXHPBRHHNUJQOG-INIZCTEOSA-N 1 0 282.428 2.184 10 0 CEAERO CC[NH2+][C@@H]1CCc2c1cccc2OCC(=O)OCC ZINC000062799684 520122609 /nfs/dbraw/zinc/12/26/09/520122609.db2.gz NJYAGBTXCSBTIO-CYBMUJFWSA-N 1 0 263.337 2.225 10 0 CEAERO CCC[NH2+][C@](CO[C@@H](C)CC(C)C)(C(N)=O)C1CC1 ZINC000069196494 520123978 /nfs/dbraw/zinc/12/39/78/520123978.db2.gz XGEZOTPPPPUHDD-WFASDCNBSA-N 1 0 270.417 2.071 10 0 CEAERO CC[NH2+][C@@H]1COc2cc(OCCC(=O)NC(C)C)ccc21 ZINC000062804723 520124705 /nfs/dbraw/zinc/12/47/05/520124705.db2.gz OAIJJNDBNISSRB-CQSZACIVSA-N 1 0 292.379 2.023 10 0 CEAERO CCCNc1cc(CN2CCC[N@H+](C)CC2)ccn1 ZINC000052717988 520136263 /nfs/dbraw/zinc/13/62/63/520136263.db2.gz HZJJXXHERLNARW-UHFFFAOYSA-N 1 0 262.401 2.041 10 0 CEAERO CCN[C@@](C)(C[C@H](C)[N@@H+]1CCC[C@@H](CC)CC1)C(N)=O ZINC000068648029 520145317 /nfs/dbraw/zinc/14/53/17/520145317.db2.gz NDOGBYINJMFWQO-LZWOXQAQSA-N 1 0 283.460 2.131 10 0 CEAERO CCCCC[N@H+](C)CC[C@H](NC1CC1)C(=O)OCC ZINC000062447463 520149538 /nfs/dbraw/zinc/14/95/38/520149538.db2.gz BTMJLWOGZNYFAU-AWEZNQCLSA-N 1 0 270.417 2.182 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N1CCCc2cccc(OC)c21 ZINC000061272845 520164732 /nfs/dbraw/zinc/16/47/32/520164732.db2.gz SZHYDSXKWSRENM-GFCCVEGCSA-N 1 0 276.380 2.363 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)NCc1ccccc1Br ZINC000061274048 520167186 /nfs/dbraw/zinc/16/71/86/520167186.db2.gz GJOKAJNBRJTCDY-SNVBAGLBSA-N 1 0 299.212 2.453 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N[C@H](C)Cc1ccccc1OC ZINC000061271585 520167312 /nfs/dbraw/zinc/16/73/12/520167312.db2.gz UMKSWNLEAWVRNL-CHWSQXEVSA-N 1 0 278.396 2.131 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1ccccc1-n1ccnc1 ZINC000061270195 520170686 /nfs/dbraw/zinc/17/06/86/520170686.db2.gz CIFKIMIRYSMRHM-GFCCVEGCSA-N 1 0 272.352 2.199 10 0 CEAERO CC[NH2+][C@H](C)c1ccccc1NC(=O)c1ccnn1C ZINC000061665374 520179700 /nfs/dbraw/zinc/17/97/00/520179700.db2.gz DMQJXNCMQNHGNR-LLVKDONJSA-N 1 0 272.352 2.343 10 0 CEAERO CC[NH2+][C@H](Cc1cnn(CC)c1)c1ncccc1C ZINC000050543240 520203778 /nfs/dbraw/zinc/20/37/78/520203778.db2.gz KSMSSBXSDSGEQS-CQSZACIVSA-N 1 0 258.369 2.500 10 0 CEAERO CC[NH2+][C@H](c1cc(F)ccc1F)[C@@H]1COCCO1 ZINC000055299994 520206526 /nfs/dbraw/zinc/20/65/26/520206526.db2.gz QKNZBDBWQCOIBE-QWHCGFSZSA-N 1 0 257.280 2.031 10 0 CEAERO CCOCc1ccccc1NC(=O)C(C)(C)[NH2+]C ZINC000061300588 520217948 /nfs/dbraw/zinc/21/79/48/520217948.db2.gz AIHLHCNPEYQQTC-UHFFFAOYSA-N 1 0 250.342 2.160 10 0 CEAERO CC[NH2+][C@H]1CCc2c1cccc2O[C@H](C)C(=O)OC ZINC000062799491 520219936 /nfs/dbraw/zinc/21/99/36/520219936.db2.gz TXSAHPAUPKKKPK-MFKMUULPSA-N 1 0 263.337 2.224 10 0 CEAERO CCN[C@](C)(CCC[N@H+](CC)CC1CC1)C(=O)OCC ZINC000069239524 520226887 /nfs/dbraw/zinc/22/68/87/520226887.db2.gz FWGYONABCSHQQV-MRXNPFEDSA-N 1 0 284.444 2.430 10 0 CEAERO CCN[C@](C)(C[C@@H](C)[NH+]1CCC(CC)CC1)C(=O)OC ZINC000068638287 520235157 /nfs/dbraw/zinc/23/51/57/520235157.db2.gz VYYUBJDCXOEDJX-CZUORRHYSA-N 1 0 284.444 2.428 10 0 CEAERO CCN[C@](C)(C[C@H](C)[NH+](CC1CC1)CC1CC1)C(=O)OC ZINC000068647990 520241448 /nfs/dbraw/zinc/24/14/48/520241448.db2.gz OSMGWUUMPPUGOG-SUMWQHHRSA-N 1 0 296.455 2.428 10 0 CEAERO CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CC[C@H](C)O2)c1 ZINC000150768242 520257738 /nfs/dbraw/zinc/25/77/38/520257738.db2.gz VWAUYIGYRSTYRQ-BBRMVZONSA-N 1 0 290.407 2.322 10 0 CEAERO CCCCC[C@H](C[NH2+]CC)[C@@H]1CCS(=O)(=O)C1 ZINC000052950333 520311006 /nfs/dbraw/zinc/31/10/06/520311006.db2.gz DYXHKRDOVMTUCV-CHWSQXEVSA-N 1 0 261.431 2.227 10 0 CEAERO CC1(C)CCCN(C(=O)[C@@H]2CCC[C@H](C[NH3+])C2)C1 ZINC000070270144 520324837 /nfs/dbraw/zinc/32/48/37/520324837.db2.gz QYJPBALHQJIRQP-QWHCGFSZSA-N 1 0 252.402 2.400 10 0 CEAERO CCN(CC(=O)NC)c1ccc(F)cc1C[NH2+]CC(C)C ZINC000062737279 520330117 /nfs/dbraw/zinc/33/01/17/520330117.db2.gz BQYBGWXKCSEAMI-UHFFFAOYSA-N 1 0 295.402 2.144 10 0 CEAERO CCOC(=O)/C=C/c1ccc(NC(=O)C(C)(C)[NH2+]C)cc1 ZINC000061318512 520399983 /nfs/dbraw/zinc/39/99/83/520399983.db2.gz CKGOEMJVJPBRNE-DHZHZOJOSA-N 1 0 290.363 2.199 10 0 CEAERO CCCC[N@H+](C)C[C@](NCCC)(C(=O)OCC)C1CC1 ZINC000069088874 520418341 /nfs/dbraw/zinc/41/83/41/520418341.db2.gz POUPCUUSEAKGAH-MRXNPFEDSA-N 1 0 284.444 2.430 10 0 CEAERO CCCOc1ccc([C@H](CN2CCCOCC2)[NH2+]C)cc1 ZINC000061917955 520428182 /nfs/dbraw/zinc/42/81/82/520428182.db2.gz WROYEFLRKKTBAD-KRWDZBQOSA-N 1 0 292.423 2.458 10 0 CEAERO CCCC[N@H+](CC(=O)CC(=O)OCC)[C@@H](C)CC ZINC000068813943 520440643 /nfs/dbraw/zinc/44/06/43/520440643.db2.gz YOFPMXWLSRSSLT-LBPRGKRZSA-N 1 0 257.374 2.409 10 0 CEAERO CCCOc1cccc([C@@H](C[NH3+])N(C)CCOC)c1 ZINC000052921107 520465296 /nfs/dbraw/zinc/46/52/96/520465296.db2.gz NBLOTMNJSZVDMC-OAHLLOKOSA-N 1 0 266.385 2.053 10 0 CEAERO CCCOc1cccc([C@@H](C[NH3+])N2CCOC[C@@H]2C)c1 ZINC000052920990 520465673 /nfs/dbraw/zinc/46/56/73/520465673.db2.gz ZSFBMGNEQCXRTH-XJKSGUPXSA-N 1 0 278.396 2.196 10 0 CEAERO CCCOc1ccccc1O[C@H](C)C[C@@](C)([NH2+]C)C(N)=O ZINC000068653985 520485799 /nfs/dbraw/zinc/48/57/99/520485799.db2.gz IYWUTPBLMKVOAA-MLGOLLRUSA-N 1 0 294.395 2.096 10 0 CEAERO CCN(CC)C(=O)COc1cc(F)ccc1[C@H](C)[NH2+]C ZINC000062746557 520490378 /nfs/dbraw/zinc/49/03/78/520490378.db2.gz VAVCCNXKJKPEJW-NSHDSACASA-N 1 0 282.359 2.353 10 0 CEAERO CCN(CC)C(=O)COc1cccc2c1CC[C@@H]2[NH2+]C ZINC000062799342 520492807 /nfs/dbraw/zinc/49/28/07/520492807.db2.gz ORMKZIVMTUGMKS-AWEZNQCLSA-N 1 0 276.380 2.141 10 0 CEAERO CCCOc1nc(Cl)nc(N[C@H](C)CC[NH+](C)C)n1 ZINC000061539532 520495880 /nfs/dbraw/zinc/49/58/80/520495880.db2.gz MSKPVPGRHPQZQS-SECBINFHSA-N 1 0 287.795 2.066 10 0 CEAERO CC1(C)COCCN1c1cc(Cl)ccc1C(N)=[NH2+] ZINC000062788875 520506931 /nfs/dbraw/zinc/50/69/31/520506931.db2.gz WWRWECGLTDQFGE-UHFFFAOYSA-N 1 0 267.760 2.239 10 0 CEAERO CCO[C@H](C[NH3+])CCn1ccnc1-c1cccs1 ZINC000062741465 520518328 /nfs/dbraw/zinc/51/83/28/520518328.db2.gz DQIGJRLUPBNDDD-NSHDSACASA-N 1 0 265.382 2.366 10 0 CEAERO CCN(CC)C(=O)[C@@H](C)[NH2+]Cc1ccc(F)cc1C ZINC000050576025 520519238 /nfs/dbraw/zinc/51/92/38/520519238.db2.gz YHSPDRMETSHQAT-GFCCVEGCSA-N 1 0 266.360 2.481 10 0 CEAERO CCCC[N@H+](C[C@@](NC)(C(=O)OC)C1CC1)[C@@H](C)CC ZINC000069191579 520542554 /nfs/dbraw/zinc/54/25/54/520542554.db2.gz RGSMNFVKADIQES-BBRMVZONSA-N 1 0 284.444 2.428 10 0 CEAERO CCC[C@@H](C)[N@H+](C)Cc1ccnc(C(N)=S)c1 ZINC000068752021 520645100 /nfs/dbraw/zinc/64/51/00/520645100.db2.gz FFEUJXNELWLPDX-SNVBAGLBSA-N 1 0 251.399 2.336 10 0 CEAERO CCOc1cc(C[NH2+]CC(C)C)ccc1O[C@@H](C)C(N)=O ZINC000062731175 520710160 /nfs/dbraw/zinc/71/01/60/520710160.db2.gz LQMNJBOORFVYOO-LBPRGKRZSA-N 1 0 294.395 2.084 10 0 CEAERO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(NC)c(C)c1 ZINC000063057810 520717283 /nfs/dbraw/zinc/71/72/83/520717283.db2.gz KXIBNZCNTIQFSY-CYBMUJFWSA-N 1 0 277.412 2.497 10 0 CEAERO CCOC(=O)COc1cc(F)ccc1[C@@H](C)[NH2+]C ZINC000062746432 520799750 /nfs/dbraw/zinc/79/97/50/520799750.db2.gz LAYDUGHNISERCA-SECBINFHSA-N 1 0 255.289 2.048 10 0 CEAERO CCOc1cc2c(cc1[C@H](O)C[NH2+]C(C)C)O[C@@H](C)C2 ZINC000055028695 520801410 /nfs/dbraw/zinc/80/14/10/520801410.db2.gz UKDIZANBBRZEOE-SMDDNHRTSA-N 1 0 279.380 2.440 10 0 CEAERO CCC[C@@H]1C[N@H+](CCCn2ccnc2)[C@H](C(C)C)CN1 ZINC000068700645 520837644 /nfs/dbraw/zinc/83/76/44/520837644.db2.gz KDYYIBQTPORXOK-CVEARBPZSA-N 1 0 278.444 2.372 10 0 CEAERO CCC[C@@](C)(C[NH2+]C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000054656915 520909958 /nfs/dbraw/zinc/90/99/58/520909958.db2.gz SRBRXUUFTXENGE-STQMWFEESA-N 1 0 261.431 2.226 10 0 CEAERO CCN(CC1(C[NH3+])CCOCC1)c1ccc(F)cc1 ZINC000052182567 520937515 /nfs/dbraw/zinc/93/75/15/520937515.db2.gz PHQIVHAZRWHEOQ-UHFFFAOYSA-N 1 0 266.360 2.408 10 0 CEAERO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+]C[C@@H](C)CSC ZINC000069447861 521050000 /nfs/dbraw/zinc/05/00/00/521050000.db2.gz OUGNBEUKSLUJPZ-GRYCIOLGSA-N 1 0 260.447 2.268 10 0 CEAERO CCOC(=O)[C@@H](C)Oc1c(C[NH2+]C)cccc1OCC ZINC000049954766 521031539 /nfs/dbraw/zinc/03/15/39/521031539.db2.gz OKDAVELCQPXNLB-LLVKDONJSA-N 1 0 281.352 2.135 10 0 CEAERO CCOC(=O)[C@@H](C)Oc1cc(F)ccc1[C@H](C)[NH2+]C ZINC000062746178 521032282 /nfs/dbraw/zinc/03/22/82/521032282.db2.gz RKWQTFITWSFCHS-VHSXEESVSA-N 1 0 269.316 2.437 10 0 CEAERO CCC[C@H](C)[N@H+](C)C[C@](NC1CC1)(C(=O)OC)C1CC1 ZINC000069100174 521035422 /nfs/dbraw/zinc/03/54/22/521035422.db2.gz COJHSDXRUJMOCE-BLLLJJGKSA-N 1 0 282.428 2.181 10 0 CEAERO CCOC(=O)[C@@H](CC[N@H+](C)CC1CCC1)NC(C)C ZINC000062532326 521055976 /nfs/dbraw/zinc/05/59/76/521055976.db2.gz WEPVTENGJOMFKF-CQSZACIVSA-N 1 0 270.417 2.038 10 0 CEAERO CCCC[C@H](CC)COC[C@H](O)C[NH2+]C[C@@H](C)COC ZINC000045695759 521180400 /nfs/dbraw/zinc/18/04/00/521180400.db2.gz RELDJLAQGRTNJK-OWCLPIDISA-N 1 0 289.460 2.452 10 0 CEAERO CCN(C[C@@H](C)C[NH3+])c1nc2ccccc2nc1C ZINC000052099351 521200722 /nfs/dbraw/zinc/20/07/22/521200722.db2.gz FKZZMIZGOIDULU-NSHDSACASA-N 1 0 258.369 2.359 10 0 CEAERO CCOc1ccc([C@@H](Cn2ccc(=O)cc2)[NH2+]C)cc1 ZINC000061627784 521229321 /nfs/dbraw/zinc/22/93/21/521229321.db2.gz YZXGUXXHIUUYTM-MRXNPFEDSA-N 1 0 272.348 2.208 10 0 CEAERO CCN(C[C@H]1CCCO1)[C@@H](C[NH3+])c1ccccc1F ZINC000048953437 521268507 /nfs/dbraw/zinc/26/85/07/521268507.db2.gz HOHFRLHDZNSRLV-DOMZBBRYSA-N 1 0 266.360 2.326 10 0 CEAERO CCC[C@]1(C(=O)N(C)Cc2ccccc2OC)CC[NH2+]C1 ZINC000062896898 521296764 /nfs/dbraw/zinc/29/67/64/521296764.db2.gz UZIAJNZYZPJFQA-KRWDZBQOSA-N 1 0 290.407 2.433 10 0 CEAERO CCC[C@]1(C(=O)NCc2ccc(OC)cc2)CCC[NH2+]C1 ZINC000062852170 521299416 /nfs/dbraw/zinc/29/94/16/521299416.db2.gz YSGOVJPOEUQIIX-KRWDZBQOSA-N 1 0 290.407 2.481 10 0 CEAERO CCC[C@]1(C(=O)Nc2nccs2)CCC[NH2+]C1 ZINC000062851655 521300089 /nfs/dbraw/zinc/30/00/89/521300089.db2.gz WLHXZIBZYHYIFL-LBPRGKRZSA-N 1 0 253.371 2.252 10 0 CEAERO CCOC(=O)[C@](C)(C[C@@H](C)[NH+]1CCC(CC)CC1)NC ZINC000068638343 521322467 /nfs/dbraw/zinc/32/24/67/521322467.db2.gz AOOZIKFDSMKNFQ-CJNGLKHVSA-N 1 0 284.444 2.428 10 0 CEAERO CCOC(=O)[C@](C)(N)C[C@@H](C)[NH+]1Cc2ccccc2C1 ZINC000068641925 521326850 /nfs/dbraw/zinc/32/68/50/521326850.db2.gz UXFMABWWWAMFSQ-MLGOLLRUSA-N 1 0 276.380 2.061 10 0 CEAERO CCOC(=O)[C@](N)(C[NH+](CC(C)C)CC(C)C)C1CC1 ZINC000069100863 521346274 /nfs/dbraw/zinc/34/62/74/521346274.db2.gz DCUSTTPLORFFKR-INIZCTEOSA-N 1 0 284.444 2.271 10 0 CEAERO CCOc1cccc(C[C@@H](C)[NH3+])c1OC[C@@H]1CCOC1 ZINC000049689968 521379690 /nfs/dbraw/zinc/37/96/90/521379690.db2.gz MAUMVJBTWSMVBP-CHWSQXEVSA-N 1 0 279.380 2.390 10 0 CEAERO CCOc1cccc(NC(=O)[C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000049570451 521395316 /nfs/dbraw/zinc/39/53/16/521395316.db2.gz CJYLXSYYHXDZHV-NWDGAFQWSA-N 1 0 262.353 2.412 10 0 CEAERO CCN(Cc1ccco1)[C@]1(C[NH3+])CCCSC1 ZINC000061590139 521400847 /nfs/dbraw/zinc/40/08/47/521400847.db2.gz TUGDAANFFRSNMX-ZDUSSCGKSA-N 1 0 254.399 2.326 10 0 CEAERO CCN(Cc1ncccn1)C1(C[NH3+])CCC(C)CC1 ZINC000054458683 521459781 /nfs/dbraw/zinc/45/97/81/521459781.db2.gz MRSPHNWYRYQOKV-UHFFFAOYSA-N 1 0 262.401 2.206 10 0 CEAERO CCN(c1nc2c(s1)[C@@H]([NH3+])CCC2)[C@@H](C)COC ZINC000054896674 521505798 /nfs/dbraw/zinc/50/57/98/521505798.db2.gz VLYLSBLPSMXBOG-UWVGGRQHSA-N 1 0 269.414 2.340 10 0 CEAERO CCOC(=O)c1ccc(N[C@@H](C)C[NH+]2CCCC2)c(N)c1 ZINC000049189390 521521792 /nfs/dbraw/zinc/52/17/92/521521792.db2.gz UWKZTHYCLSQVJH-LBPRGKRZSA-N 1 0 291.395 2.342 10 0 CEAERO CCN1C(=O)C[C@@H]([NH3+])[C@H]1c1ccc(Br)s1 ZINC000069798214 521522509 /nfs/dbraw/zinc/52/25/09/521522509.db2.gz IKFDIJVLNIJFKB-LDWIPMOCSA-N 1 0 289.198 2.131 10 0 CEAERO CCOC(CC[NH+]1CCC(COC)CC1)OCC ZINC000070081390 521628503 /nfs/dbraw/zinc/62/85/03/521628503.db2.gz ZCBWUWJMONPISB-UHFFFAOYSA-N 1 0 259.390 2.134 10 0 CEAERO CCCn1c(S[C@@H](c2ccsc2)[C@@H](C)[NH3+])n[nH]c1=O ZINC000061594921 521635417 /nfs/dbraw/zinc/63/54/17/521635417.db2.gz QAQFVTGRQGGQQD-PSASIEDQSA-N 1 0 298.437 2.224 10 0 CEAERO CCS(=O)(=O)CC[C@H]1C[C@H](C(C)C)CC[C@@H]1[NH2+]C ZINC000054630793 521645948 /nfs/dbraw/zinc/64/59/48/521645948.db2.gz PHPQISMXWTUCBQ-RDBSUJKOSA-N 1 0 275.458 2.472 10 0 CEAERO CCOC1CCN(c2ncc([C@@H](C)[NH3+])s2)CC1 ZINC000054896431 521657608 /nfs/dbraw/zinc/65/76/08/521657608.db2.gz CBVZMZSEZGVSKD-SECBINFHSA-N 1 0 255.387 2.168 10 0 CEAERO CCC1(C)CCN(C(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000062957961 521676220 /nfs/dbraw/zinc/67/62/20/521676220.db2.gz BQPBDDYHXPVSTB-CYBMUJFWSA-N 1 0 252.402 2.415 10 0 CEAERO CCC1(CC)C[NH2+][C@@H](C(C)C)CN1CCn1cccn1 ZINC000068704486 521690191 /nfs/dbraw/zinc/69/01/91/521690191.db2.gz HKVFKBJBYSCFOR-OAHLLOKOSA-N 1 0 278.444 2.372 10 0 CEAERO CCCN(Cc1ccnc(C[NH3+])c1)CC(F)(F)F ZINC000068750309 521691184 /nfs/dbraw/zinc/69/11/84/521691184.db2.gz JCWCXBSJLCVZTM-UHFFFAOYSA-N 1 0 261.291 2.315 10 0 CEAERO CCCN1C(=O)C[C@@H]([NH2+][C@H](C)c2ccc(C)s2)C1=O ZINC000049163197 521699782 /nfs/dbraw/zinc/69/97/82/521699782.db2.gz KRZRXLDHYYFZNU-GHMZBOCLSA-N 1 0 280.393 2.245 10 0 CEAERO CCN1CCO[C@H](C[NH2+]C)[C@@H]1c1ccc2ncccc2c1 ZINC000070287942 521709036 /nfs/dbraw/zinc/70/90/36/521709036.db2.gz BFUBJELTKABMPL-SJORKVTESA-N 1 0 285.391 2.216 10 0 CEAERO CCNC(=O)COc1cc(F)ccc1[C@@H](C)[NH2+]CC ZINC000062747071 521738510 /nfs/dbraw/zinc/73/85/10/521738510.db2.gz FHSFLTGCLYRASI-SNVBAGLBSA-N 1 0 268.332 2.011 10 0 CEAERO COc1c(C)cnc(CN2C[C@@H](C)[NH2+]C[C@@H]2C2CC2)c1C ZINC000068697751 521812830 /nfs/dbraw/zinc/81/28/30/521812830.db2.gz RVOKKQVZWBLTSU-MLGOLLRUSA-N 1 0 289.423 2.279 10 0 CEAERO COCC[C@@H]([NH3+])c1nc(-c2ccc(OC)cc2OC)c[nH]1 ZINC000052811296 521834417 /nfs/dbraw/zinc/83/44/17/521834417.db2.gz VPPLVQYJBZTJBO-GFCCVEGCSA-N 1 0 291.351 2.130 10 0 CEAERO COC(=O)c1cc(N)ccc1N[C@@H](CC(C)C)C[NH+](C)C ZINC000049561992 521871670 /nfs/dbraw/zinc/87/16/70/521871670.db2.gz RIKLZPCYKJULKP-ZDUSSCGKSA-N 1 0 293.411 2.444 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1c1ccc(Cl)cc1N ZINC000061642824 521873057 /nfs/dbraw/zinc/87/30/57/521873057.db2.gz CIWNJOGHSYJFPX-LLVKDONJSA-N 1 0 253.777 2.453 10 0 CEAERO CCc1ccccc1[C@@H](C[NH3+])N(C)C[C@@H]1CCCO1 ZINC000052203705 521928972 /nfs/dbraw/zinc/92/89/72/521928972.db2.gz FKXISJBXLFHBTJ-GOEBONIOSA-N 1 0 262.397 2.360 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000061317289 521935135 /nfs/dbraw/zinc/93/51/35/521935135.db2.gz PVPWFKKOTUASNX-XQQFMLRXSA-N 1 0 252.402 2.412 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000061316436 521938343 /nfs/dbraw/zinc/93/83/43/521938343.db2.gz LEBQESOQAYIRDO-DTWKUNHWSA-N 1 0 266.307 2.222 10 0 CEAERO CCc1ccccc1[C@H](C[NH3+])N1CCC(OC)CC1 ZINC000052203497 521954249 /nfs/dbraw/zinc/95/42/49/521954249.db2.gz IPCLGQXVPINSTD-INIZCTEOSA-N 1 0 262.397 2.360 10 0 CEAERO C[NH2+]CC[C@@H]1CCCCN1C(=O)Cc1cccc(F)c1 ZINC000070191453 522015708 /nfs/dbraw/zinc/01/57/08/522015708.db2.gz JEGBLZZSRQHHQA-HNNXBMFYSA-N 1 0 278.371 2.359 10 0 CEAERO C[NH2+]CCc1nnc(-c2cccc(OC(C)C)c2)o1 ZINC000061667193 522022322 /nfs/dbraw/zinc/02/23/22/522022322.db2.gz BNLMEQLFFFBCOJ-UHFFFAOYSA-N 1 0 261.325 2.286 10 0 CEAERO C[NH2+]CCc1nnc(-c2cccc(OC(F)F)c2)o1 ZINC000050619539 522022644 /nfs/dbraw/zinc/02/26/44/522022644.db2.gz ZDIALJLHDBKWKW-UHFFFAOYSA-N 1 0 269.251 2.100 10 0 CEAERO C[NH2+]CCc1nnc(-c2ccc3ccccc3n2)o1 ZINC000050619662 522023266 /nfs/dbraw/zinc/02/32/66/522023266.db2.gz MSIYSQSFFSWCTB-UHFFFAOYSA-N 1 0 254.293 2.047 10 0 CEAERO C[NH2+]C[C@@H](C(C)C)N1CCN(c2ccc(F)cc2)CC1 ZINC000052418165 522025168 /nfs/dbraw/zinc/02/51/68/522025168.db2.gz KOZGZYFLRAIHRK-INIZCTEOSA-N 1 0 279.403 2.192 10 0 CEAERO C[NH2+]C[C@@H](C(C)C)N1CCN(c2cccc(C)c2)CC1 ZINC000052418893 522026038 /nfs/dbraw/zinc/02/60/38/522026038.db2.gz GBMSIRSSLYJOBP-KRWDZBQOSA-N 1 0 275.440 2.361 10 0 CEAERO C[NH+](C)[C@@H]1CCN(c2nnc(Cl)c3ccccc32)C1 ZINC000062983252 522054968 /nfs/dbraw/zinc/05/49/68/522054968.db2.gz UQMIRANAWSTDSQ-SNVBAGLBSA-N 1 0 276.771 2.424 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1Cc1cn2cccc(C)c2n1 ZINC000063168762 522079688 /nfs/dbraw/zinc/07/96/88/522079688.db2.gz MJBPDJLZNYYWFW-OAHLLOKOSA-N 1 0 272.396 2.217 10 0 CEAERO C[NH2+]C[C@H]1OCCN(C)[C@@H]1c1c(F)cccc1Cl ZINC000070284373 522098782 /nfs/dbraw/zinc/09/87/82/522098782.db2.gz PZENQNNSPGHUKW-YPMHNXCESA-N 1 0 272.751 2.070 10 0 CEAERO CCc1csc(N(CCC(N)=[NH2+])CC(C)C)n1 ZINC000061894293 522102437 /nfs/dbraw/zinc/10/24/37/522102437.db2.gz KLMRQDLPQXTDCU-UHFFFAOYSA-N 1 0 254.403 2.494 10 0 CEAERO C[NH2+]Cc1ccc(-n2nc(C)c(Cl)c2C)nc1 ZINC000051487747 522113574 /nfs/dbraw/zinc/11/35/74/522113574.db2.gz XONRGURBSBUXRD-UHFFFAOYSA-N 1 0 250.733 2.257 10 0 CEAERO C[NH2+]Cc1cc(F)ccc1N1CCC[C@H]1CCCO ZINC000052761749 522115072 /nfs/dbraw/zinc/11/50/72/522115072.db2.gz VSONZQRQTPBKDL-AWEZNQCLSA-N 1 0 266.360 2.286 10 0 CEAERO C[NH2+]Cc1ccc(Cn2cc(Br)cn2)o1 ZINC000052577442 522116732 /nfs/dbraw/zinc/11/67/32/522116732.db2.gz GCPZUPSPAPNLHH-UHFFFAOYSA-N 1 0 270.130 2.006 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(CCc2ccccc2N)CC1 ZINC000055063572 522121728 /nfs/dbraw/zinc/12/17/28/522121728.db2.gz ORSLAAGVOVUMCZ-CQSZACIVSA-N 1 0 261.413 2.227 10 0 CEAERO C[NH2+]Cc1ccc(OC[C@@H](O)C(F)(F)F)c(Cl)c1 ZINC000068877198 522122048 /nfs/dbraw/zinc/12/20/48/522122048.db2.gz KAKZLJMMVDEYDC-SNVBAGLBSA-N 1 0 283.677 2.361 10 0 CEAERO C[NH2+]Cc1cccc(CN(C)Cc2cscn2)c1 ZINC000052503753 522127581 /nfs/dbraw/zinc/12/75/81/522127581.db2.gz XPPHGEGMEMOQEC-UHFFFAOYSA-N 1 0 261.394 2.495 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(c2ccc(CO)cc2C)CC1 ZINC000055068056 522135411 /nfs/dbraw/zinc/13/54/11/522135411.db2.gz NXMTZCBWRUBAKW-CQSZACIVSA-N 1 0 262.397 2.408 10 0 CEAERO C[NH2+]Cc1coc(Cn2ccc(C(F)(F)F)n2)c1 ZINC000052592573 522149400 /nfs/dbraw/zinc/14/94/00/522149400.db2.gz GPFSVEUDTXOHIM-UHFFFAOYSA-N 1 0 259.231 2.263 10 0 CEAERO C[NH2+]Cc1oc2ccccc2c1CN1CCOC[C@@H]1C ZINC000052475837 522161409 /nfs/dbraw/zinc/16/14/09/522161409.db2.gz YQFXZPGBARHREJ-LBPRGKRZSA-N 1 0 274.364 2.373 10 0 CEAERO C[NH2+]Cc1sc(N2CCOCC2(C)C)nc1C1CC1 ZINC000069181575 522167354 /nfs/dbraw/zinc/16/73/54/522167354.db2.gz VYKOMUFWNWAHBY-UHFFFAOYSA-N 1 0 281.425 2.355 10 0 CEAERO C[NH2+]Cc1sc(N2C[C@@H](C)O[C@H](C)C2)nc1C1CC1 ZINC000069146671 522169739 /nfs/dbraw/zinc/16/97/39/522169739.db2.gz BRAOHRPBPCTRRV-NXEZZACHSA-N 1 0 281.425 2.354 10 0 CEAERO COC(=O)c1ccccc1N(C)CC[NH+]1CCCC1 ZINC000049856014 522266399 /nfs/dbraw/zinc/26/63/99/522266399.db2.gz DLUMNEZDQQJTAN-UHFFFAOYSA-N 1 0 262.353 2.005 10 0 CEAERO COc1cc(C)ccc1OCC[NH2+]C1CCOCC1 ZINC000062768093 522279666 /nfs/dbraw/zinc/27/96/66/522279666.db2.gz HVMFBHYOVJIDED-UHFFFAOYSA-N 1 0 265.353 2.151 10 0 CEAERO COc1cc(C)ccc1OCc1ccc[nH+]c1NN ZINC000052730332 522281069 /nfs/dbraw/zinc/28/10/69/522281069.db2.gz BJNNQBIQHFOHIU-UHFFFAOYSA-N 1 0 259.309 2.263 10 0 CEAERO COc1cc(C)ccc1OCc1cccnc1C[NH3+] ZINC000061657300 522281206 /nfs/dbraw/zinc/28/12/06/522281206.db2.gz LLHYDHZDPQPNED-UHFFFAOYSA-N 1 0 258.321 2.436 10 0 CEAERO CC[C@H]([NH3+])Cc1ccc(OCCC(=O)NC(C)C)cc1 ZINC000054048908 522332698 /nfs/dbraw/zinc/33/26/98/522332698.db2.gz RPGOXCQLTLWVPN-AWEZNQCLSA-N 1 0 278.396 2.260 10 0 CEAERO C[NH2+][C@@H](C)c1cccc(NC(=O)NCCSC)c1 ZINC000069462992 522334677 /nfs/dbraw/zinc/33/46/77/522334677.db2.gz KCWQPFZKECBDAB-JTQLQIEISA-N 1 0 267.398 2.452 10 0 CEAERO C[NH2+][C@@H](C)c1cnc(N2CCOC(C)(C)C2)s1 ZINC000054904540 522338312 /nfs/dbraw/zinc/33/83/12/522338312.db2.gz VQPDJZDWEYZDBH-VIFPVBQESA-N 1 0 255.387 2.039 10 0 CEAERO CC[C@H]([NH3+])[C@](O)(c1ccccc1F)C(F)(F)F ZINC000062784533 522346498 /nfs/dbraw/zinc/34/64/98/522346498.db2.gz MIYOLCUYLFSFKS-VHSXEESVSA-N 1 0 251.223 2.313 10 0 CEAERO COC[C@@H]([NH2+]C[C@@H](O)COC(C)(C)C)c1ccc(C)o1 ZINC000184633796 522354068 /nfs/dbraw/zinc/35/40/68/522354068.db2.gz MFYQUCTZVYPKFQ-CHWSQXEVSA-N 1 0 285.384 2.041 10 0 CEAERO C[NH2+][C@@H](c1ccnn1C)c1cc(Cl)c(OC)c(OC)c1 ZINC000069467539 522372914 /nfs/dbraw/zinc/37/29/14/522372914.db2.gz NSNVPRMUEFHXOI-CYBMUJFWSA-N 1 0 295.770 2.400 10 0 CEAERO C[NH2+][C@@H]1CC(C)(C)Cc2nc(N3CCOCC3)sc21 ZINC000054900030 522374883 /nfs/dbraw/zinc/37/48/83/522374883.db2.gz NNWQZLIPFVGIDL-SNVBAGLBSA-N 1 0 281.425 2.213 10 0 CEAERO CCc1nc(N2CCOC[C@@H]2C)sc1C[NH2+]C1CC1 ZINC000054997356 522388210 /nfs/dbraw/zinc/38/82/10/522388210.db2.gz NRGMJLRKJXGAHR-JTQLQIEISA-N 1 0 281.425 2.183 10 0 CEAERO C[NH2+][C@@H]1CCCc2nc(N(C)C[C@@H]3CCCO3)sc21 ZINC000054907730 522389917 /nfs/dbraw/zinc/38/99/17/522389917.db2.gz YSVBRMQMIAEGCP-WDEREUQCSA-N 1 0 281.425 2.355 10 0 CEAERO C[NH2+][C@@H]1CCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000049647253 522395212 /nfs/dbraw/zinc/39/52/12/522395212.db2.gz VSCGHTQSWFOEID-LLVKDONJSA-N 1 0 272.270 2.026 10 0 CEAERO C[NH2+][C@@](C)(CCCOc1c(C)cc(C)cc1C)C(N)=O ZINC000045465444 522407947 /nfs/dbraw/zinc/40/79/47/522407947.db2.gz KVIJWVSNGNCCIM-INIZCTEOSA-N 1 0 278.396 2.234 10 0 CEAERO CN[C@@](C)(C[C@@H](C)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)OC ZINC000068627098 522416575 /nfs/dbraw/zinc/41/65/75/522416575.db2.gz WWKHUBSYCDAALS-DLTWYDFYSA-N 1 0 296.455 2.428 10 0 CEAERO CC[C@@H](C)c1ccccc1OCC[C@@H]([NH2+]C)C(N)=O ZINC000062551083 522436522 /nfs/dbraw/zinc/43/65/22/522436522.db2.gz RNASOCXZEGKPHM-DGCLKSJQSA-N 1 0 264.369 2.042 10 0 CEAERO C[NH2+][C@H](C)c1cnc(N(C)[C@@H]2CCSC2)s1 ZINC000054903026 522453339 /nfs/dbraw/zinc/45/33/39/522453339.db2.gz YOOPYDMQBHUDAG-RKDXNWHRSA-N 1 0 257.428 2.365 10 0 CEAERO C[NH2+][C@H](C)c1sc(N2C[C@@H](C)OC[C@@H]2C)nc1C ZINC000054903436 522455704 /nfs/dbraw/zinc/45/57/04/522455704.db2.gz JNZBPYZERNJMMY-IVZWLZJFSA-N 1 0 269.414 2.346 10 0 CEAERO C[NH2+][C@H](Cc1csc(-c2nc[nH]n2)n1)c1ccccc1 ZINC000051966052 522475541 /nfs/dbraw/zinc/47/55/41/522475541.db2.gz ZAAUSIMMMDKTBC-GFCCVEGCSA-N 1 0 285.376 2.431 10 0 CEAERO C[NH2+][C@H](Cn1nc(C)ccc1=O)c1ccc(C)cc1C ZINC000061810236 522478520 /nfs/dbraw/zinc/47/85/20/522478520.db2.gz DOZYGJAKGUIOPI-OAHLLOKOSA-N 1 0 271.364 2.129 10 0 CEAERO CCc1nc2cc(NC(=O)[C@@H](C)C3C[NH2+]C3)ccc2o1 ZINC000164140429 522492427 /nfs/dbraw/zinc/49/24/27/522492427.db2.gz VXMKQONFNYVPAG-VIFPVBQESA-N 1 0 273.336 2.184 10 0 CEAERO CC[C@@H](CC[NH3+])N1CCN(Cc2ccc(F)cc2F)CC1 ZINC000050872138 522497022 /nfs/dbraw/zinc/49/70/22/522497022.db2.gz MDSPMJQYTPMYDC-HNNXBMFYSA-N 1 0 297.393 2.210 10 0 CEAERO CCc1nc2ccccc2n1CCC[NH2+]CCOC ZINC000062807509 522502445 /nfs/dbraw/zinc/50/24/45/522502445.db2.gz FFSCNTJUISIMFG-UHFFFAOYSA-N 1 0 261.369 2.225 10 0 CEAERO COc1cc(C[C@H](C)[NH3+])ccc1OC1CCOCC1 ZINC000069310648 522504019 /nfs/dbraw/zinc/50/40/19/522504019.db2.gz YYIJVGHQLCASCJ-NSHDSACASA-N 1 0 265.353 2.143 10 0 CEAERO C[NH2+][C@H]1CCO[C@](C)(c2ccc3c(c2)OCCO3)C1 ZINC000070341823 522505912 /nfs/dbraw/zinc/50/59/12/522505912.db2.gz CHPYHEMVPYONRX-WFASDCNBSA-N 1 0 263.337 2.071 10 0 CEAERO C[NH2+][C@](COc1ccccc1C(C)C)(C(N)=O)C1CC1 ZINC000069197799 522530077 /nfs/dbraw/zinc/53/00/77/522530077.db2.gz LKONBAVEFQRIJX-INIZCTEOSA-N 1 0 276.380 2.042 10 0 CEAERO CNc1cc(CN2CC[NH+](C3CCCC3)CC2)ccn1 ZINC000052731898 522564419 /nfs/dbraw/zinc/56/44/19/522564419.db2.gz IFTIYDSZFXOUOB-UHFFFAOYSA-N 1 0 274.412 2.184 10 0 CEAERO CNc1ccc(CN(CC[NH+](C)C)CC(C)C)cn1 ZINC000050814885 522607192 /nfs/dbraw/zinc/60/71/92/522607192.db2.gz AHCCDZKGABNIKH-UHFFFAOYSA-N 1 0 264.417 2.143 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccncc1)N1CCC[C@@H]1CCCO ZINC000052757220 522649376 /nfs/dbraw/zinc/64/93/76/522649376.db2.gz KXMAMQVNXFEJAO-BZUAXINKSA-N 1 0 277.412 2.097 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1CC)c1ccsc1 ZINC000061594217 522649797 /nfs/dbraw/zinc/64/97/97/522649797.db2.gz MOAKZRUDIAHVAG-ZJUUUORDSA-N 1 0 298.437 2.224 10 0 CEAERO CN(CCC(N)=[NH2+])Cc1ccc(F)c(Br)c1 ZINC000049596345 522673313 /nfs/dbraw/zinc/67/33/13/522673313.db2.gz OLBDSUNNWKFSCH-UHFFFAOYSA-N 1 0 288.164 2.346 10 0 CEAERO CC[C@H](NS(=O)(=O)C[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000051629343 522677021 /nfs/dbraw/zinc/67/70/21/522677021.db2.gz SXLPUXARRACEIF-HIFRSBDPSA-N 1 0 296.436 2.057 10 0 CEAERO CC[C@H]([NH2+][C@@H](C)C(=O)N1CCOCC1)C1CCCCC1 ZINC000052339504 522686207 /nfs/dbraw/zinc/68/62/07/522686207.db2.gz BKYAYBCZXZHCIB-ZFWWWQNUSA-N 1 0 282.428 2.182 10 0 CEAERO CCc1nn(C)cc1CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000157499785 522693815 /nfs/dbraw/zinc/69/38/15/522693815.db2.gz NXVJYJAVYGSSFK-ZBFHGGJFSA-N 1 0 270.380 2.217 10 0 CEAERO COC1CCN(c2cc(C[NH2+]CC(C)C)ccn2)CC1 ZINC000051443015 522710156 /nfs/dbraw/zinc/71/01/56/522710156.db2.gz LQPCUBKKWAKEFS-UHFFFAOYSA-N 1 0 277.412 2.442 10 0 CEAERO CC[C@H]([NH2+][C@@H]1CCCS(=O)(=O)C1)c1ccc(O)cc1 ZINC000069143102 522713857 /nfs/dbraw/zinc/71/38/57/522713857.db2.gz RSLNJTSWMFKNQP-OCCSQVGLSA-N 1 0 283.393 2.010 10 0 CEAERO COC[C@H]([NH2+]C[C@H](O)COC(C)(C)C)c1ccc(C)o1 ZINC000184633778 522744348 /nfs/dbraw/zinc/74/43/48/522744348.db2.gz MFYQUCTZVYPKFQ-STQMWFEESA-N 1 0 285.384 2.041 10 0 CEAERO CN(CC[NH2+]CCc1ccsc1)Cc1ccncc1 ZINC000053383812 522865723 /nfs/dbraw/zinc/86/57/23/522865723.db2.gz IDOYCRQSMWDFLE-UHFFFAOYSA-N 1 0 275.421 2.407 10 0 CEAERO COc1cc(OC)cc(O[C@@H](C[NH3+])c2cccnc2)c1 ZINC000068793677 522873743 /nfs/dbraw/zinc/87/37/43/522873743.db2.gz LPPXQMZQYJZGIX-HNNXBMFYSA-N 1 0 274.320 2.178 10 0 CEAERO COc1cc(OC)cc(O[C@@H](C[NH3+])c2ccccn2)c1 ZINC000068793582 522874533 /nfs/dbraw/zinc/87/45/33/522874533.db2.gz QDGQXDDJCQIIOH-HNNXBMFYSA-N 1 0 274.320 2.178 10 0 CEAERO COc1cc(OC)cc([C@@H](O)[C@H]([NH3+])Cc2ccccc2)c1 ZINC000054685628 522878081 /nfs/dbraw/zinc/87/80/81/522878081.db2.gz IGVNKNBZPIWUQC-IAGOWNOFSA-N 1 0 287.359 2.307 10 0 CEAERO CC[C@H](Sc1nc2cc(OC)ccc2[nH]1)C(N)=[NH2+] ZINC000049834231 522923541 /nfs/dbraw/zinc/92/35/41/522923541.db2.gz XVYSSVYDNFFWNH-JTQLQIEISA-N 1 0 264.354 2.378 10 0 CEAERO COCC1CCN(c2ccc(C[C@@H](C)[NH3+])cc2)CC1 ZINC000070083681 522938866 /nfs/dbraw/zinc/93/88/66/522938866.db2.gz UBVJENLNVHBKFM-CYBMUJFWSA-N 1 0 262.397 2.439 10 0 CEAERO COc1cc2c(cc1OC)CN([C@@H](C)C[NH2+]C(C)C)CC2 ZINC000052417228 523032301 /nfs/dbraw/zinc/03/23/01/523032301.db2.gz JFHQVMZUTVLIFV-ZDUSSCGKSA-N 1 0 292.423 2.448 10 0 CEAERO CC[C@H]1CC[C@H](C(=O)[O-])[C@H]([NH+]2CCC([NH+](C)C)CC2)C1 ZINC000062752139 523200601 /nfs/dbraw/zinc/20/06/01/523200601.db2.gz MYNLFHPJEHWPGJ-AEGPPILISA-N 1 0 282.428 2.292 10 0 CEAERO COCCCN(C)c1cccc(C[NH2+]C(C)(C)C)n1 ZINC000062035932 523235051 /nfs/dbraw/zinc/23/50/51/523235051.db2.gz SCPFCTDCKMCCRN-UHFFFAOYSA-N 1 0 265.401 2.442 10 0 CEAERO CC[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(C[NH3+])cc2)C1 ZINC000068586403 523304361 /nfs/dbraw/zinc/30/43/61/523304361.db2.gz CXMZEXNLAKQOHL-OCCSQVGLSA-N 1 0 296.436 2.392 10 0 CEAERO CC[C@H]1CN(c2ccc(Cl)cc2C(N)=[NH2+])CCO1 ZINC000052860048 523306931 /nfs/dbraw/zinc/30/69/31/523306931.db2.gz ZNKMOWILOBHUQR-JTQLQIEISA-N 1 0 267.760 2.239 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C(C)C)CN1Cc1cccc(OC)n1 ZINC000068695205 523322754 /nfs/dbraw/zinc/32/27/54/523322754.db2.gz MOJAQBLIOYZMGB-LSDHHAIUSA-N 1 0 277.412 2.299 10 0 CEAERO CC[C@H]1CO[C@H](C)CN1Cc1cc(C[NH3+])c(C)o1 ZINC000052570958 523351097 /nfs/dbraw/zinc/35/10/97/523351097.db2.gz WEAPWMZFXXWEQD-MFKMUULPSA-N 1 0 252.358 2.046 10 0 CEAERO COCCCNC(=O)[C@H](C)[NH2+][C@H]1CCCc2sccc21 ZINC000061362448 523358217 /nfs/dbraw/zinc/35/82/17/523358217.db2.gz LYCCRWMMNHDYIA-AAEUAGOBSA-N 1 0 296.436 2.256 10 0 CEAERO CN(Cc1ccco1)Cc1[nH+]c(NN)ccc1Cl ZINC000061630927 523437123 /nfs/dbraw/zinc/43/71/23/523437123.db2.gz DBWZLPRZLMXPCE-UHFFFAOYSA-N 1 0 266.732 2.246 10 0 CEAERO CN(Cc1ccnc(C[NH3+])c1)Cc1ccccc1F ZINC000068749598 523453520 /nfs/dbraw/zinc/45/35/20/523453520.db2.gz SHBCDQLLLDYNNK-UHFFFAOYSA-N 1 0 259.328 2.311 10 0 CEAERO CC[C@@H]1CN([C@@H](C[NH3+])c2ccc(F)c(C)c2)CCO1 ZINC000050546062 523467495 /nfs/dbraw/zinc/46/74/95/523467495.db2.gz CQNYEZXJMYKSCC-HIFRSBDPSA-N 1 0 266.360 2.245 10 0 CEAERO CC[C@@H]1CN[C@H](C(C)C)C[N@@H+]1CC1CCOCC1 ZINC000068695330 523486811 /nfs/dbraw/zinc/48/68/11/523486811.db2.gz NYOULYGJHBCVMB-CABCVRRESA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@@H]1CO[C@H](C)CN1c1ncc(C[NH2+]C2CC2)s1 ZINC000054908790 523519702 /nfs/dbraw/zinc/51/97/02/523519702.db2.gz SAOARFNSVFGNEU-ZYHUDNBSSA-N 1 0 281.425 2.399 10 0 CEAERO CC[C@]1(C(=O)N(C)Cc2cccs2)CC[NH2+]C1 ZINC000062890686 523535047 /nfs/dbraw/zinc/53/50/47/523535047.db2.gz RBQLABDBBYHXRB-ZDUSSCGKSA-N 1 0 252.383 2.096 10 0 CEAERO CC[C@]1(C(=O)Nc2ccsc2C(=O)OC)CCC[NH2+]C1 ZINC000062859366 523546563 /nfs/dbraw/zinc/54/65/63/523546563.db2.gz DXYSYKMMWUWPNG-AWEZNQCLSA-N 1 0 296.392 2.253 10 0 CEAERO CCn1ccnc1N(CCC[NH3+])C1CCCCC1 ZINC000050607906 523548050 /nfs/dbraw/zinc/54/80/50/523548050.db2.gz HZVLZGOFNVFOKV-UHFFFAOYSA-N 1 0 250.390 2.391 10 0 CEAERO COc1ccc(C(=O)N2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000051358295 523642910 /nfs/dbraw/zinc/64/29/10/523642910.db2.gz IDSJHKJMUGDBBP-GJZGRUSLSA-N 1 0 274.364 2.052 10 0 CEAERO COCC[N@H+](C1CC1)[C@@H]1C[C@H](C(C)C)CC[C@@H]1O ZINC000054558385 523643250 /nfs/dbraw/zinc/64/32/50/523643250.db2.gz YSIOQPYXKLQAGV-YUELXQCFSA-N 1 0 255.402 2.283 10 0 CEAERO CN(c1nc(C(C)(C)C)c(CO)s1)[C@H]1CCC[N@H+](C)C1 ZINC000055003691 523661514 /nfs/dbraw/zinc/66/15/14/523661514.db2.gz NKRUPPQNFHMCOR-NSHDSACASA-N 1 0 297.468 2.463 10 0 CEAERO CN(c1nc(C2CC2)c(C=O)s1)C1CC[NH+](C)CC1 ZINC000069180515 523663744 /nfs/dbraw/zinc/66/37/44/523663744.db2.gz ATJUAOSYSIQGBO-UHFFFAOYSA-N 1 0 279.409 2.363 10 0 CEAERO CN(c1nc2c(s1)[C@@H]([NH3+])CCC2)C1CCOCC1 ZINC000054895985 523664834 /nfs/dbraw/zinc/66/48/34/523664834.db2.gz VBDCLPDIKXYTDH-JTQLQIEISA-N 1 0 267.398 2.094 10 0 CEAERO COCCN(CC(C)C)C(=O)[C@@H]1CCC[C@H](CC[NH3+])C1 ZINC000055161100 523677759 /nfs/dbraw/zinc/67/77/59/523677759.db2.gz FSIHDMVDSJHCED-HUUCEWRRSA-N 1 0 284.444 2.273 10 0 CEAERO CC[C@@]1(C(=O)N[C@H]2CCOc3ccccc32)CC[NH2+]C1 ZINC000062893104 523696454 /nfs/dbraw/zinc/69/64/54/523696454.db2.gz LTVGAODBOGMGII-XJKSGUPXSA-N 1 0 274.364 2.016 10 0 CEAERO CC[C@@]1(C(=O)Nc2ccc(Cl)cn2)CCC[NH2+]C1 ZINC000062853119 523697684 /nfs/dbraw/zinc/69/76/84/523697684.db2.gz XLBIPSALOVFGKS-CYBMUJFWSA-N 1 0 267.760 2.453 10 0 CEAERO CCc1c(C)nn([C@@H](C)C[C@@](C)([NH2+]C(C)C)C(N)=O)c1C ZINC000068649231 523716738 /nfs/dbraw/zinc/71/67/38/523716738.db2.gz SSNUXSGIHFVMOQ-MEDUHNTESA-N 1 0 294.443 2.255 10 0 CEAERO CCn1nccc1[C@H]([NH2+]C)c1ccc(OC)c(OC)c1 ZINC000069470440 523746994 /nfs/dbraw/zinc/74/69/94/523746994.db2.gz XPCRRZSTSWABLQ-OAHLLOKOSA-N 1 0 275.352 2.229 10 0 CEAERO COCCN([C@H](C[NH3+])c1ccc(F)cc1C)C1CC1 ZINC000050579001 523783057 /nfs/dbraw/zinc/78/30/57/523783057.db2.gz VRNUMNDAWAJJLN-OAHLLOKOSA-N 1 0 266.360 2.245 10 0 CEAERO COc1ccc(C)cc1C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000070172546 523801971 /nfs/dbraw/zinc/80/19/71/523801971.db2.gz RCCMLRDFEGWPMW-QWHCGFSZSA-N 1 0 276.380 2.203 10 0 CEAERO COc1ccc(C)cc1C(=O)Nc1ccc(C[NH3+])cn1 ZINC000052943313 523802523 /nfs/dbraw/zinc/80/25/23/523802523.db2.gz ITZNHHBUXRBFFH-UHFFFAOYSA-N 1 0 271.320 2.110 10 0 CEAERO COC(=O)[C@@](C)(C[C@@H](C)[NH+]1CCC(C)CC1)NC1CC1 ZINC000068618551 523814648 /nfs/dbraw/zinc/81/46/48/523814648.db2.gz MLHSIGVNGHMDCV-CZUORRHYSA-N 1 0 282.428 2.181 10 0 CEAERO COC(=O)[C@@](C)(N)CC[NH+]1CCC2(CCCCC2)CC1 ZINC000061821809 523817639 /nfs/dbraw/zinc/81/76/39/523817639.db2.gz GBINTJCJFAEIDY-HNNXBMFYSA-N 1 0 282.428 2.313 10 0 CEAERO COC(=O)[C@@](C)(C[C@H](C)[N@H+](CC1CC1)C1CC1)NC1CC1 ZINC000068648312 523817854 /nfs/dbraw/zinc/81/78/54/523817854.db2.gz XWALDXYGTLORKZ-YVEFUNNKSA-N 1 0 294.439 2.323 10 0 CEAERO CO[C@H](C(=O)N(C)CC[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000050437509 523818595 /nfs/dbraw/zinc/81/85/95/523818595.db2.gz GNHUMHGRWUPDOG-HOTGVXAUSA-N 1 0 290.407 2.365 10 0 CEAERO COC(=O)[C@@](C)(N)C[C@@H](C)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000068641756 523818506 /nfs/dbraw/zinc/81/85/06/523818506.db2.gz JXAYDFZIXGUYAI-KMFMINBZSA-N 1 0 290.407 2.145 10 0 CEAERO COC(=O)[C@@](C[N@H+](C)C1CCCC1)(NC(C)C)C1CC1 ZINC000069097443 523820599 /nfs/dbraw/zinc/82/05/99/523820599.db2.gz LRVAGDMGYOOZKH-INIZCTEOSA-N 1 0 282.428 2.181 10 0 CEAERO CN(C(=O)C[NH2+]Cc1ccc(Br)cc1)C1CC1 ZINC000049304659 523825832 /nfs/dbraw/zinc/82/58/32/523825832.db2.gz SEIJRJJDCDNITK-UHFFFAOYSA-N 1 0 297.196 2.160 10 0 CEAERO CN(C(=O)C[NH2+]Cc1ccc(Cl)cc1)C1CC1 ZINC000049304695 523826321 /nfs/dbraw/zinc/82/63/21/523826321.db2.gz IIHUCDPKHJMQPL-UHFFFAOYSA-N 1 0 252.745 2.050 10 0 CEAERO COc1ccc(C)cc1[C@@H]([NH3+])c1cccnc1OC ZINC000061444191 523855485 /nfs/dbraw/zinc/85/54/85/523855485.db2.gz KFHUMESZEIFITD-AWEZNQCLSA-N 1 0 258.321 2.455 10 0 CEAERO CC[C@H](C)C[NH2+][C@H]1CC(=O)N(C2CCCCCC2)C1=O ZINC000054469775 523886415 /nfs/dbraw/zinc/88/64/15/523886415.db2.gz VJLJIXXQNAJOQJ-JSGCOSHPSA-N 1 0 280.412 2.472 10 0 CEAERO CCc1ccc(C(=O)Nc2ccc(C[NH3+])cn2)cc1 ZINC000051952731 523896705 /nfs/dbraw/zinc/89/67/05/523896705.db2.gz ZHTVZELNZAGJHE-UHFFFAOYSA-N 1 0 255.321 2.355 10 0 CEAERO COC(=O)[C@H](C[N@H+](C)[C@@H]1CCCC[C@@H]1C)NC(C)C ZINC000045423550 523900860 /nfs/dbraw/zinc/90/08/60/523900860.db2.gz WYKCTGHTSIEDPA-MELADBBJSA-N 1 0 270.417 2.037 10 0 CEAERO COCC[NH2+]C[C@@H]1C[C@H]1c1cccc(OC)c1OC ZINC000054598619 523941603 /nfs/dbraw/zinc/94/16/03/523941603.db2.gz RUQJQBIGWYPRJV-WCQYABFASA-N 1 0 265.353 2.043 10 0 CEAERO COCC[NH2+]C[C@@H]1C[C@@]1(C)c1c(F)cccc1F ZINC000054598884 523941718 /nfs/dbraw/zinc/94/17/18/523941718.db2.gz ULTLWLLXJJOUEL-IINYFYTJSA-N 1 0 255.308 2.478 10 0 CEAERO COCC[NH2+]C[C@@]1(Cc2ccc(OC)c(F)c2)CCOC1 ZINC000054666208 523942480 /nfs/dbraw/zinc/94/24/80/523942480.db2.gz RAWAWNJFWPXHFV-INIZCTEOSA-N 1 0 297.370 2.020 10 0 CEAERO COCC[NH2+]C[C@@]1(O)CCC(C)(C)c2ccccc21 ZINC000055030607 523942648 /nfs/dbraw/zinc/94/26/48/523942648.db2.gz RYFKGEDOLGMGBX-INIZCTEOSA-N 1 0 263.381 2.182 10 0 CEAERO COCC[NH2+]C[C@H]1C[C@H]1c1cc(OC)c(OC)cc1OC ZINC000054598576 523944545 /nfs/dbraw/zinc/94/45/45/523944545.db2.gz RZHOGQVJWNSION-VXGBXAGGSA-N 1 0 295.379 2.052 10 0 CEAERO COCC[NH2+]C[C@]1(Cc2ccccc2F)CCOC1 ZINC000054666258 523945479 /nfs/dbraw/zinc/94/54/79/523945479.db2.gz GGDWVCSXULVGES-OAHLLOKOSA-N 1 0 267.344 2.011 10 0 CEAERO COCC[NH2+]Cc1cc(F)ccc1N1CC[C@@H](C)C1 ZINC000062736641 523950506 /nfs/dbraw/zinc/95/05/06/523950506.db2.gz JNFHZPGQUPMGAT-GFCCVEGCSA-N 1 0 266.360 2.408 10 0 CEAERO CC[C@H](C)[NH+]1CCN(C(=O)c2ccc(C)c(N)c2)CC1 ZINC000055063453 523951438 /nfs/dbraw/zinc/95/14/38/523951438.db2.gz JTKQMRPWAHLKPZ-ZDUSSCGKSA-N 1 0 275.396 2.134 10 0 CEAERO COCC[NH2+]Cc1ccnc(-c2ccc(F)cc2)n1 ZINC000054792584 523956161 /nfs/dbraw/zinc/95/61/61/523956161.db2.gz PYJJRMFKCGURPH-UHFFFAOYSA-N 1 0 261.300 2.019 10 0 CEAERO CC[C@H](C)[NH+]1CCN(Cc2ccc(OC)c(N)c2)CC1 ZINC000055063396 523957244 /nfs/dbraw/zinc/95/72/44/523957244.db2.gz ZWCWPMWYOFDPCZ-ZDUSSCGKSA-N 1 0 277.412 2.194 10 0 CEAERO CC[C@H](C)[NH+]1CCN(Cc2ccc(N)c(C)c2)CC1 ZINC000055083463 523957328 /nfs/dbraw/zinc/95/73/28/523957328.db2.gz CJXYCPQJFMOBEV-AWEZNQCLSA-N 1 0 261.413 2.493 10 0 CEAERO COCC[NH2+]Cc1nc2c([nH]1)CCCc1ccccc1-2 ZINC000069236680 523957430 /nfs/dbraw/zinc/95/74/30/523957430.db2.gz ALCFQEUDNBATMQ-UHFFFAOYSA-N 1 0 271.364 2.301 10 0 CEAERO CC[C@H](C)NC(=O)C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000057539088 523975723 /nfs/dbraw/zinc/97/57/23/523975723.db2.gz BOBOLOPDOPBYHC-JQWIXIFHSA-N 1 0 252.333 2.173 10 0 CEAERO CO[C@H]1CCC[C@@H](n2nc(C)c(CC[NH3+])c2C)C1 ZINC000070339461 523977651 /nfs/dbraw/zinc/97/76/51/523977651.db2.gz HLSMHFNRCLKFAA-OLZOCXBDSA-N 1 0 251.374 2.131 10 0 CEAERO CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H]1CCOc2ccccc21 ZINC000052928759 523986522 /nfs/dbraw/zinc/98/65/22/523986522.db2.gz VSZDVPUHLUUDCN-OUCADQQQSA-N 1 0 276.380 2.403 10 0 CEAERO COC(=O)[C@](C)(C[C@H](C)[N@H+](C)CC1CCC1)NC1CC1 ZINC000068642722 523999761 /nfs/dbraw/zinc/99/97/61/523999761.db2.gz AAQUJKAYEYSPML-LRDDRELGSA-N 1 0 282.428 2.181 10 0 CEAERO COC(=O)[C@](C)(C[C@H](C)[NH+]1CCC(C)CC1)NC1CC1 ZINC000068618544 524000273 /nfs/dbraw/zinc/00/02/73/524000273.db2.gz MLHSIGVNGHMDCV-BBRMVZONSA-N 1 0 282.428 2.181 10 0 CEAERO COC(=O)[C@](C[N@H+](C)CC1CCCC1)(NC1CC1)C1CC1 ZINC000069233237 524003628 /nfs/dbraw/zinc/00/36/28/524003628.db2.gz LSNZJQCZNDMQSQ-QGZVFWFLSA-N 1 0 294.439 2.182 10 0 CEAERO CN(C)C(=O)c1ccc(N[C@@H](C[NH3+])C2CCCCC2)nc1 ZINC000155846170 524025982 /nfs/dbraw/zinc/02/59/82/524025982.db2.gz UBHAWKCMWVNOBB-AWEZNQCLSA-N 1 0 290.411 2.103 10 0 CEAERO CCc1ccc([C@H]2[C@H]([NH3+])CCCC(=O)N2C)s1 ZINC000070292134 524056769 /nfs/dbraw/zinc/05/67/69/524056769.db2.gz GLOXIDBGRONSEL-ZWNOBZJWSA-N 1 0 252.383 2.321 10 0 CEAERO CCc1cccc(C)c1-n1nnnc1C[NH2+]C(C)C ZINC000054744245 524062129 /nfs/dbraw/zinc/06/21/29/524062129.db2.gz SPGHWNIPMXWWOE-UHFFFAOYSA-N 1 0 259.357 2.031 10 0 CEAERO CCc1cccc(CC)c1-n1nnnc1C[NH2+]C(C)C ZINC000054744844 524067272 /nfs/dbraw/zinc/06/72/72/524067272.db2.gz IVOMREPICSAQGQ-UHFFFAOYSA-N 1 0 273.384 2.285 10 0 CEAERO CCc1cccc(CC)c1NS(=O)(=O)C1CC[NH2+]CC1 ZINC000049632572 524069847 /nfs/dbraw/zinc/06/98/47/524069847.db2.gz CYCWAXRXYWMYNB-UHFFFAOYSA-N 1 0 296.436 2.305 10 0 CEAERO COc1ccc(C[NH2+][C@@H](CN(C)C)C(C)C)cc1OC ZINC000049195067 524083640 /nfs/dbraw/zinc/08/36/40/524083640.db2.gz QWLYAZFYDXMMBG-AWEZNQCLSA-N 1 0 280.412 2.380 10 0 CEAERO COc1ccc(C[NH2+][C@H](CN(C)C)C(C)C)cc1OC ZINC000049195064 524090679 /nfs/dbraw/zinc/09/06/79/524090679.db2.gz QWLYAZFYDXMMBG-CQSZACIVSA-N 1 0 280.412 2.380 10 0 CEAERO COc1ccc(C[C@@H]([NH3+])C2CCOCC2)cc1OC ZINC000061672610 524141157 /nfs/dbraw/zinc/14/11/57/524141157.db2.gz UCRKWXQEFKCECG-CYBMUJFWSA-N 1 0 265.353 2.000 10 0 CEAERO C[C@H](CC[NH+](C)C)Nc1ccc(N)c(OCC2CC2)n1 ZINC000049555355 524170264 /nfs/dbraw/zinc/17/02/64/524170264.db2.gz BUIRHLLDPKWBDH-LLVKDONJSA-N 1 0 278.400 2.205 10 0 CEAERO C[C@H](CCNC(=O)C1(C[NH3+])CCOCC1)c1ccccc1 ZINC000061910681 524178630 /nfs/dbraw/zinc/17/86/30/524178630.db2.gz VFGFBOOZAIEAGD-CQSZACIVSA-N 1 0 290.407 2.052 10 0 CEAERO C[C@H]1CCC[C@](CNCc2ncccn2)([NH+](C)C)C1 ZINC000054459403 524222814 /nfs/dbraw/zinc/22/28/14/524222814.db2.gz XPXDFWUWYHSLCT-ZFWWWQNUSA-N 1 0 262.401 2.077 10 0 CEAERO COc1ccc(Cl)cc1[C@](O)(C[NH3+])C(F)(F)F ZINC000062784392 524255727 /nfs/dbraw/zinc/25/57/27/524255727.db2.gz XOFLPRPCOWUOHH-SECBINFHSA-N 1 0 269.650 2.057 10 0 CEAERO C[C@@H]1CCC[C@@H](C[NH3+])N1S(=O)(=O)CC1CCCCC1 ZINC000070153388 524288484 /nfs/dbraw/zinc/28/84/84/524288484.db2.gz HBBTVVFUSAVMBN-OCCSQVGLSA-N 1 0 288.457 2.098 10 0 CEAERO C[C@H]1CCN(Cc2ccn(-c3ccccc3)n2)C[C@@H]1[NH3+] ZINC000070147955 524299508 /nfs/dbraw/zinc/29/95/08/524299508.db2.gz ODQODGZWMQADAX-BBRMVZONSA-N 1 0 270.380 2.041 10 0 CEAERO C[C@@H](C(=O)c1ccccc1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642562 524306842 /nfs/dbraw/zinc/30/68/42/524306842.db2.gz GKBDOLDSXAZLQT-DZGCQCFKSA-N 1 0 260.381 2.284 10 0 CEAERO C[C@H](C[NH+]1CCCC1)Nc1cc2c(cc1N)NC(=O)CC2 ZINC000049152376 524318987 /nfs/dbraw/zinc/31/89/87/524318987.db2.gz YXYNLXDRSRSARV-LLVKDONJSA-N 1 0 288.395 2.050 10 0 CEAERO COc1ccc(F)cc1[C@@](O)(C[NH2+]C1CC1)C1CC1 ZINC000049857201 524330501 /nfs/dbraw/zinc/33/05/01/524330501.db2.gz LCYYTAGISIYSMZ-OAHLLOKOSA-N 1 0 265.328 2.184 10 0 CEAERO Cc1cccc(C2CC([NH2+][C@H]3CCCS(=O)(=O)C3)C2)c1 ZINC000069141652 524335781 /nfs/dbraw/zinc/33/57/81/524335781.db2.gz QAXBYIVQTOCJSC-PCKAHOCUSA-N 1 0 293.432 2.408 10 0 CEAERO C[C@@H]1CCC[C@@](CNc2ccnc(N(C)C)n2)([NH+](C)C)C1 ZINC000068690095 524338385 /nfs/dbraw/zinc/33/83/85/524338385.db2.gz NIPPFBJYJXUENC-CZUORRHYSA-N 1 0 291.443 2.465 10 0 CEAERO C[C@H]1CC[C@@H](NS(=O)(=O)c2ccccc2C[NH3+])C[C@@H]1C ZINC000068583044 524370277 /nfs/dbraw/zinc/37/02/77/524370277.db2.gz VHXHFCUCOPBEOL-SGMGOOAPSA-N 1 0 296.436 2.248 10 0 CEAERO C[C@@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)NCCC1CCCC1 ZINC000055130621 524391137 /nfs/dbraw/zinc/39/11/37/524391137.db2.gz QEIOYHISHVZIDB-KWCYVHTRSA-N 1 0 252.402 2.446 10 0 CEAERO Cc1ccc(CN(C)Cc2cccnc2C(N)=[NH2+])cc1 ZINC000061657875 524394003 /nfs/dbraw/zinc/39/40/03/524394003.db2.gz UMLOMMIKLUQTPS-UHFFFAOYSA-N 1 0 268.364 2.306 10 0 CEAERO C[C@H](C[NH2+]C(C)(C)C)CN1CCN(c2ccccn2)CC1 ZINC000052418580 524476262 /nfs/dbraw/zinc/47/62/62/524476262.db2.gz AIOSOHCEMOHGRC-OAHLLOKOSA-N 1 0 290.455 2.228 10 0 CEAERO C[C@H](C[NH2+]C[C@@H]1CCCO1)Oc1ccc(F)cc1 ZINC000053566782 524483828 /nfs/dbraw/zinc/48/38/28/524483828.db2.gz DBTFNCWFCRSYJJ-RISCZKNCSA-N 1 0 253.317 2.362 10 0 CEAERO C[C@@H](CC[NH2+]C1CC1)n1cc(Br)cn1 ZINC000052577635 524499411 /nfs/dbraw/zinc/49/94/11/524499411.db2.gz TTWOVTJQYXECIN-QMMMGPOBSA-N 1 0 258.163 2.349 10 0 CEAERO COc1ccccc1C[C@@](C)(O)C[NH2+]C(C)(C)C ZINC000055029781 524506963 /nfs/dbraw/zinc/50/69/63/524506963.db2.gz VDLRZRJDAKTKQY-OAHLLOKOSA-N 1 0 251.370 2.377 10 0 CEAERO COc1ccccc1C[C@H](C)[NH2+]Cc1[nH]cnc1C ZINC000054796712 524510469 /nfs/dbraw/zinc/51/04/69/524510469.db2.gz IMZBWJWPAVPQSG-NSHDSACASA-N 1 0 259.353 2.448 10 0 CEAERO Cc1cccc(N(C)C[C@@]([NH2+]C(C)C)(C(N)=O)C2CC2)c1 ZINC000069231394 524520081 /nfs/dbraw/zinc/52/00/81/524520081.db2.gz TZKRFLQNMZCRAL-KRWDZBQOSA-N 1 0 289.423 2.063 10 0 CEAERO Cc1cccc(N2CCN([C@H](C)C[NH2+]C3CC3)CC2)c1 ZINC000052418909 524559871 /nfs/dbraw/zinc/55/98/71/524559871.db2.gz YVIKWSOXBDMUGE-OAHLLOKOSA-N 1 0 273.424 2.258 10 0 CEAERO C[C@@H](C[NH+]1CCCC1)Nc1cc2c(cc1N)CCC(=O)N2 ZINC000049152409 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/nfs/dbraw/zinc/45/25/96/526452596.db2.gz BHSRANAOPYCERJ-SNVBAGLBSA-N 1 0 280.441 2.442 10 0 CEAERO c1ccc(-c2nnn(CCC[NH2+]C3CCCC3)n2)cc1 ZINC000053500349 526457448 /nfs/dbraw/zinc/45/74/48/526457448.db2.gz AMAOIONEPZROCP-UHFFFAOYSA-N 1 0 271.368 2.262 10 0 CEAERO c1ccc2c(c1)CCN2C[C@]1(C[NH2+]C2CC2)CCOC1 ZINC000051206720 526504598 /nfs/dbraw/zinc/50/45/98/526504598.db2.gz INXQISLFQYDTHJ-QGZVFWFLSA-N 1 0 272.392 2.208 10 0 CEAERO c1ccc2c(c1)ccnc2-c1noc([C@@H]2CC[NH2+]C2)n1 ZINC000069312265 526514067 /nfs/dbraw/zinc/51/40/67/526514067.db2.gz ZSCWUFRSDJMXRB-LLVKDONJSA-N 1 0 266.304 2.362 10 0 CEAERO c1cn(-c2ccccc2)nc1CO[C@H]1CCC[NH2+]C1 ZINC000061641218 526527649 /nfs/dbraw/zinc/52/76/49/526527649.db2.gz QOQHEAMLRVOAHZ-HNNXBMFYSA-N 1 0 257.337 2.141 10 0 CEAERO O=C(CC[C@@H]1CCCC[NH2+]1)N1CCc2ccc(O)cc2C1 ZINC000050947684 526546984 /nfs/dbraw/zinc/54/69/84/526546984.db2.gz UVRWVXHFOYEMJF-HNNXBMFYSA-N 1 0 288.391 2.199 10 0 CEAERO O=C(CC[C@@H]1CCCC[NH2+]1)NCc1cccs1 ZINC000050941399 526548356 /nfs/dbraw/zinc/54/83/56/526548356.db2.gz DLFVSNNNSYEVDF-NSHDSACASA-N 1 0 252.383 2.287 10 0 CEAERO O=C(CC[C@H]1CCCC[NH2+]1)NCCc1cccc(F)c1 ZINC000050942449 526564623 /nfs/dbraw/zinc/56/46/23/526564623.db2.gz XPKGHGOBIBUICC-OAHLLOKOSA-N 1 0 278.371 2.407 10 0 CEAERO O=C(CC[C@H]1CCCC[NH2+]1)NCCc1ccccc1 ZINC000050939882 526564787 /nfs/dbraw/zinc/56/47/87/526564787.db2.gz KIESMUGBZZQDSL-OAHLLOKOSA-N 1 0 260.381 2.268 10 0 CEAERO c1coc(COC[C@H]2CC[C@@H](C[NH2+]C3CC3)O2)c1 ZINC000052602014 526567155 /nfs/dbraw/zinc/56/71/55/526567155.db2.gz FTBAKGNPGCNFQO-GXTWGEPZSA-N 1 0 251.326 2.096 10 0 CEAERO Cc1nc(-c2ncccn2)nc(C)c1CC[NH2+]C(C)(C)C ZINC000054853923 526625005 /nfs/dbraw/zinc/62/50/05/526625005.db2.gz XOCPXEAOTAQABW-UHFFFAOYSA-N 1 0 285.395 2.481 10 0 CEAERO Cc1oc(C[NH3+])cc1CN1C[C@@H](C)OC(C)(C)C1 ZINC000052543528 526771243 /nfs/dbraw/zinc/77/12/43/526771243.db2.gz LSGDGPHNNRJBLV-SNVBAGLBSA-N 1 0 252.358 2.046 10 0 CEAERO Cc1oc(COc2cccc(S(C)(=O)=O)c2)cc1C[NH3+] ZINC000052701529 526776568 /nfs/dbraw/zinc/77/65/68/526776568.db2.gz ZGNSIANZPPMUAP-UHFFFAOYSA-N 1 0 295.360 2.029 10 0 CEAERO NC(=[NH2+])c1cc(COCc2ccccc2F)ccn1 ZINC000069284576 526819231 /nfs/dbraw/zinc/81/92/31/526819231.db2.gz BBOZMBYPSXYENW-UHFFFAOYSA-N 1 0 259.284 2.222 10 0 CEAERO NC(=[NH2+])c1cccnc1N1CC[C@@H](c2ccccc2)C1 ZINC000050599464 526824168 /nfs/dbraw/zinc/82/41/68/526824168.db2.gz RCPYWAUXGLLVPD-CYBMUJFWSA-N 1 0 266.348 2.360 10 0 CEAERO NC(=[NH2+])c1ccc(Sc2nnc3ccccn32)c(F)c1 ZINC000061406780 526824392 /nfs/dbraw/zinc/82/43/92/526824392.db2.gz OKLWECOBTVNXSQ-UHFFFAOYSA-N 1 0 287.323 2.304 10 0 CEAERO NC(=O)CC1CC[NH+](Cc2ccc(Cl)cc2N)CC1 ZINC000050443142 526862918 /nfs/dbraw/zinc/86/29/18/526862918.db2.gz MPXVUFSAKATBDN-UHFFFAOYSA-N 1 0 281.787 2.010 10 0 CEAERO Cc1nc(CNC2CC[NH+](Cc3ccccc3)CC2)c[nH]1 ZINC000054797979 526886712 /nfs/dbraw/zinc/88/67/12/526886712.db2.gz FYGNLJVMGXZZON-UHFFFAOYSA-N 1 0 284.407 2.472 10 0 CEAERO O=C(COCC[C@H]1CCCC[NH2+]1)Nc1ccc(F)cc1 ZINC000051862090 526931043 /nfs/dbraw/zinc/93/10/43/526931043.db2.gz PEOBLBDJIBQKRB-CYBMUJFWSA-N 1 0 280.343 2.313 10 0 CEAERO Cc1nc(N(C)C)nc(C)c1CCC[NH2+]CC(C)C ZINC000054837908 526948651 /nfs/dbraw/zinc/94/86/51/526948651.db2.gz QRMQIDSATSJNAJ-UHFFFAOYSA-N 1 0 264.417 2.338 10 0 CEAERO Cc1nc(N(C)C[C@@H]2CCCCO2)sc1[C@@H](C)[NH3+] ZINC000054896703 526949823 /nfs/dbraw/zinc/94/98/23/526949823.db2.gz ZRUUVPGPQWCSJH-KOLCDFICSA-N 1 0 269.414 2.477 10 0 CEAERO Cc1nc(N2CCO[C@@H](C)C2)sc1C[NH2+]CC(C)C ZINC000054995717 526970619 /nfs/dbraw/zinc/97/06/19/526970619.db2.gz PAGPOFJEOOLSKP-NSHDSACASA-N 1 0 283.441 2.422 10 0 CEAERO NC(=O)c1c(Cl)cccc1N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000052906417 527018896 /nfs/dbraw/zinc/01/88/96/527018896.db2.gz ACIPSBSVHZXNPW-RYUDHWBXSA-N 1 0 293.798 2.160 10 0 CEAERO NC(=O)c1ccc(N2C[C@@H]3C[C@@H]([NH3+])CC[C@@H]3C2)c(Cl)c1 ZINC000062791291 527059003 /nfs/dbraw/zinc/05/90/03/527059003.db2.gz GNYJYGVKWOEVCC-WOPDTQHZSA-N 1 0 293.798 2.003 10 0 CEAERO NC(=O)c1ccc(N[C@H]2CCCC[C@@H]2[NH3+])c(Cl)c1 ZINC000062791322 527068556 /nfs/dbraw/zinc/06/85/56/527068556.db2.gz UVTSLIOGNOAVIK-JQWIXIFHSA-N 1 0 267.760 2.121 10 0 CEAERO NC(=S)CCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000049582724 527107753 /nfs/dbraw/zinc/10/77/53/527107753.db2.gz CGGSRWPBWHCJSE-UHFFFAOYSA-N 1 0 295.427 2.404 10 0 CEAERO NC(=S)C[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000055024551 527109212 /nfs/dbraw/zinc/10/92/12/527109212.db2.gz KAHJIFZLEPSRCZ-GFCCVEGCSA-N 1 0 266.435 2.453 10 0 CEAERO NC(=S)c1ccc(Cl)cc1N1CC[NH+](C2CC2)CC1 ZINC000062788209 527117476 /nfs/dbraw/zinc/11/74/76/527117476.db2.gz KQPOFNUCFFFZRG-UHFFFAOYSA-N 1 0 295.839 2.259 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1ccc(F)cc1F ZINC000054290301 527119713 /nfs/dbraw/zinc/11/97/13/527119713.db2.gz QJKINVVVSWPIQP-VIFPVBQESA-N 1 0 254.280 2.293 10 0 CEAERO NC(=S)c1c[nH+]c2ccccc2c1NC[C@H]1CCOC1 ZINC000061147258 527122144 /nfs/dbraw/zinc/12/21/44/527122144.db2.gz MSDKKUXRDASLQA-SNVBAGLBSA-N 1 0 287.388 2.317 10 0 CEAERO NC(=S)c1ncccc1C[N@@H+]1CCc2ccccc2C1 ZINC000061659651 527123131 /nfs/dbraw/zinc/12/31/31/527123131.db2.gz ZHHLOFDLXRHGPR-UHFFFAOYSA-N 1 0 283.400 2.274 10 0 CEAERO [NH3+]C1(c2ccc3c(c2)OCCO3)Cc2ccccc2C1 ZINC000055194337 527132356 /nfs/dbraw/zinc/13/23/56/527132356.db2.gz NRMZNBNRXCPZFM-UHFFFAOYSA-N 1 0 267.328 2.411 10 0 CEAERO Cc1nc2ccc(NC(=O)[C@@H](C)C3C[NH2+]C3)cc2s1 ZINC000163960818 527146143 /nfs/dbraw/zinc/14/61/43/527146143.db2.gz RCFWJWVWJNRQGE-QMMMGPOBSA-N 1 0 275.377 2.399 10 0 CEAERO [NH3+]CCCN(C(=O)[C@H]1CCCCO1)C1CCCCC1 ZINC000050958325 527176929 /nfs/dbraw/zinc/17/69/29/527176929.db2.gz ILRVJCOKWZSXBX-CQSZACIVSA-N 1 0 268.401 2.066 10 0 CEAERO O=C(Nc1ccc(F)cc1Br)[C@@H]1CC[NH2+]C1 ZINC000062112607 527206539 /nfs/dbraw/zinc/20/65/39/527206539.db2.gz TZRJRKGZYQFTKY-SSDOTTSWSA-N 1 0 287.132 2.136 10 0 CEAERO [NH3+]C[C@@H](c1nc(CC(F)(F)F)no1)c1ccccc1 ZINC000061609420 527207487 /nfs/dbraw/zinc/20/74/87/527207487.db2.gz FAROHEOXTQJNTK-SECBINFHSA-N 1 0 271.242 2.265 10 0 CEAERO O=C(Cc1ccc(Cl)cc1)N[C@@H]1CCCC[NH2+]C1 ZINC000070120306 527222256 /nfs/dbraw/zinc/22/22/56/527222256.db2.gz NZNCXIIFQMDGQZ-CYBMUJFWSA-N 1 0 266.772 2.141 10 0 CEAERO [NH3+]C[C@H]([C@@H]1CCOC1)N1CCC2(CCCCC2)CC1 ZINC000061818832 527228743 /nfs/dbraw/zinc/22/87/43/527228743.db2.gz ULUHRIWUSRVFPJ-HUUCEWRRSA-N 1 0 266.429 2.397 10 0 CEAERO [NH3+]C[C@H](c1ccccn1)n1cc(-c2ccccc2)cn1 ZINC000054960790 527230620 /nfs/dbraw/zinc/23/06/20/527230620.db2.gz IUGXPFOZSADKOH-MRXNPFEDSA-N 1 0 264.332 2.493 10 0 CEAERO [NH3+]C[C@H]1C[C@H]1c1cc(Br)c2c(c1)OCCO2 ZINC000054586940 527242366 /nfs/dbraw/zinc/24/23/66/527242366.db2.gz ZBFRLLHVNDLLBG-BDAKNGLRSA-N 1 0 284.153 2.283 10 0 CEAERO [NH3+]Cc1cc(CN(Cc2ccco2)C2CC2)ccn1 ZINC000068750274 527246697 /nfs/dbraw/zinc/24/66/97/527246697.db2.gz LLQFYGYZJNMNTP-UHFFFAOYSA-N 1 0 257.337 2.298 10 0 CEAERO [NH3+]Cc1cc(Cl)ccc1OC[C@H](O)C(F)(F)F ZINC000068875780 527248526 /nfs/dbraw/zinc/24/85/26/527248526.db2.gz PYSVCDOLXJBRAX-VIFPVBQESA-N 1 0 269.650 2.101 10 0 CEAERO [NH3+]Cc1ccc(OCCCS(=O)(=O)C2CCCC2)cc1 ZINC000068609503 527256735 /nfs/dbraw/zinc/25/67/35/527256735.db2.gz KMKQYEZKLAONLM-UHFFFAOYSA-N 1 0 297.420 2.272 10 0 CEAERO [NH3+]Cc1cn(CCOc2cc(Cl)cc(Cl)c2)nn1 ZINC000052701113 527263004 /nfs/dbraw/zinc/26/30/04/527263004.db2.gz FNETVIIDXWFIHQ-UHFFFAOYSA-N 1 0 287.150 2.123 10 0 CEAERO [NH3+]Cc1ncccc1CN1c2ccccc2CCC1=O ZINC000061656983 527266361 /nfs/dbraw/zinc/26/63/61/527266361.db2.gz CQWFXUXUTHGDNA-UHFFFAOYSA-N 1 0 267.332 2.020 10 0 CEAERO [NH3+]Cc1ncccc1Cn1ccnc1-c1ccccc1 ZINC000061657094 527266930 /nfs/dbraw/zinc/26/69/30/527266930.db2.gz UUUCFLZJIIHHAW-UHFFFAOYSA-N 1 0 264.332 2.452 10 0 CEAERO [NH3+]Cc1nnnn1-c1cc(Cl)c(Cl)cc1Cl ZINC000054744769 527267848 /nfs/dbraw/zinc/26/78/48/527267848.db2.gz ZBMIUOVDJIZQDR-UHFFFAOYSA-N 1 0 278.530 2.081 10 0 CEAERO NNc1cc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)cc[nH+]1 ZINC000051090789 527271496 /nfs/dbraw/zinc/27/14/96/527271496.db2.gz QTJYGUTYZFUQDZ-WCQYABFASA-N 1 0 274.368 2.020 10 0 CEAERO [NH3+][C@@H](CC[C@H]1CCCCO1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000069388873 527331815 /nfs/dbraw/zinc/33/18/15/527331815.db2.gz WXMAARULDXKYOH-NEPJUHHUSA-N 1 0 275.352 2.205 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@H]1NC(=O)CC[C@@H]1CCCCO1 ZINC000069399202 527341719 /nfs/dbraw/zinc/34/17/19/527341719.db2.gz QFUUIVJNQFRKMX-BFHYXJOUSA-N 1 0 268.401 2.112 10 0 CEAERO [NH3+][C@H](c1ccc2c(c1)OCCCO2)c1ccccn1 ZINC000055205656 527390552 /nfs/dbraw/zinc/39/05/52/527390552.db2.gz SWCIYVJVQDQAOV-OAHLLOKOSA-N 1 0 256.305 2.291 10 0 CEAERO [NH3+][C@H](c1cc(Cl)ccc1Cl)[C@@H]1COCCO1 ZINC000055299135 527391572 /nfs/dbraw/zinc/39/15/72/527391572.db2.gz RCNUUOVCVIFMTP-WDEREUQCSA-N 1 0 262.136 2.409 10 0 CEAERO [NH3+][C@H](c1cc2c(cc1Cl)NC(=O)C2)C1CCOCC1 ZINC000061671562 527391648 /nfs/dbraw/zinc/39/16/48/527391648.db2.gz IIZMSBSOBUIADC-AWEZNQCLSA-N 1 0 280.755 2.261 10 0 CEAERO [NH3+][C@H](c1cccc(OC(F)(F)F)c1)c1cnccn1 ZINC000061703550 527393032 /nfs/dbraw/zinc/39/30/32/527393032.db2.gz QRBGTFLEPYYASZ-LLVKDONJSA-N 1 0 269.226 2.423 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)c1cccc2cccnc21 ZINC000061416119 527397905 /nfs/dbraw/zinc/39/79/05/527397905.db2.gz CYTIUJYMPLTWDV-UONOGXRCSA-N 1 0 269.348 2.235 10 0 CEAERO Cc1nccn1CCN1C[C@H](C(C)C)[NH2+]C[C@@H]1C(C)C ZINC000068702797 527427085 /nfs/dbraw/zinc/42/70/85/527427085.db2.gz MLHRQIZVAFTHEB-HZPDHXFCSA-N 1 0 278.444 2.146 10 0 CEAERO Nc1c(Cl)ncnc1NCC[NH+]1CCCCCC1 ZINC000062363100 527432610 /nfs/dbraw/zinc/43/26/10/527432610.db2.gz JPXXBOVSPFYEEY-UHFFFAOYSA-N 1 0 269.780 2.000 10 0 CEAERO Nc1c2c([nH+]c3cc4c(cc31)OCCCO4)CCC2 ZINC000050868549 527436450 /nfs/dbraw/zinc/43/64/50/527436450.db2.gz XEPABNLJXMKYKC-UHFFFAOYSA-N 1 0 256.305 2.467 10 0 CEAERO OC1(c2occc2Br)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000068981100 527514392 /nfs/dbraw/zinc/51/43/92/527514392.db2.gz HOVGWNBRCIBOFR-OQJHAAMPSA-N 1 0 272.142 2.144 10 0 CEAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc2ncccc21 ZINC000061416162 527543223 /nfs/dbraw/zinc/54/32/23/527543223.db2.gz HOIKLHXZGVPDKA-FUNVUKJBSA-N 1 0 281.359 2.248 10 0 CEAERO OCCC[C@H]1CCC[N@@H+]1CCOc1ccc(F)cc1 ZINC000052762085 527546766 /nfs/dbraw/zinc/54/67/66/527546766.db2.gz PRIDCKSVOLLDSC-CQSZACIVSA-N 1 0 267.344 2.441 10 0 CEAERO Nc1[nH+]c2ccc(F)c(F)c2n1C1CCC(O)CC1 ZINC000053169667 527561126 /nfs/dbraw/zinc/56/11/26/527561126.db2.gz QJMMZQOEMXPGCY-UHFFFAOYSA-N 1 0 267.279 2.373 10 0 CEAERO Nc1ncccc1[C@@H]([NH3+])c1ccc2ncccc2c1 ZINC000070321434 527570950 /nfs/dbraw/zinc/57/09/50/527570950.db2.gz JAGXSZAWTQUXLL-AWEZNQCLSA-N 1 0 250.305 2.260 10 0 CEAERO OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cncc(Br)c1 ZINC000183716197 527588722 /nfs/dbraw/zinc/58/87/22/527588722.db2.gz BGVCPNGJNJRQDA-AAEUAGOBSA-N 1 0 299.212 2.485 10 0 CEAERO FC(F)(F)CC[NH2+]C[C@@H]1CNc2ccccc2O1 ZINC000063101395 527665440 /nfs/dbraw/zinc/66/54/40/527665440.db2.gz YUMCREABKRXDCZ-SECBINFHSA-N 1 0 260.259 2.402 10 0 CEAERO Cc1nn(C)c(N2CCCC2)c1C[NH2+]CC(C)C ZINC000062734066 527676203 /nfs/dbraw/zinc/67/62/03/527676203.db2.gz WTSBEJLXSHXVTK-UHFFFAOYSA-N 1 0 250.390 2.074 10 0 CEAERO FC(F)(F)c1ccn(C[C@H]2CC[C@H](C[NH2+]C3CC3)O2)n1 ZINC000052592667 527687772 /nfs/dbraw/zinc/68/77/72/527687772.db2.gz TXFWVPOZGJHMSA-GHMZBOCLSA-N 1 0 289.301 2.202 10 0 CEAERO CCN(Cc1ccccn1)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000176440001 528845578 /nfs/dbraw/zinc/84/55/78/528845578.db2.gz WGCRCFYCGSZFSD-OAHLLOKOSA-N 1 0 290.411 2.097 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C)c1nc(C2CC2)no1 ZINC000177700224 529070515 /nfs/dbraw/zinc/07/05/15/529070515.db2.gz PRQZYYBCNOEWDL-WCQYABFASA-N 1 0 278.400 2.424 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1nc(C(C)C)no1 ZINC000175359982 529097633 /nfs/dbraw/zinc/09/76/33/529097633.db2.gz BIQMUGVHYSVKPV-LBPRGKRZSA-N 1 0 266.389 2.109 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1noc(C(C)(C)C)n1 ZINC000175353213 529099215 /nfs/dbraw/zinc/09/92/15/529099215.db2.gz DKZNDYGSFGWQFL-LBPRGKRZSA-N 1 0 280.416 2.283 10 0 CEAERO CCCOc1ccc(NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)c(C)c1 ZINC000261906775 535275181 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CEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccccc1Br ZINC000261597482 623390086 /nfs/dbraw/zinc/39/00/86/623390086.db2.gz ZCLYMBZARAEDIX-KCJUWKMLSA-N 1 0 283.169 2.011 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)Cc1cccc2ccccc21 ZINC000261630955 623406687 /nfs/dbraw/zinc/40/66/87/623406687.db2.gz BIEJUEOIMHMURE-MLGOLLRUSA-N 1 0 268.360 2.330 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1c1nc([C@@H]2CCOc3ccccc32)no1 ZINC000087996250 623409305 /nfs/dbraw/zinc/40/93/05/623409305.db2.gz RGVBJAXTGKJHEV-RAIGVLPGSA-N 1 0 285.347 2.307 10 0 CEAERO CN(CCOc1ccccc1)C(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089390773 623465436 /nfs/dbraw/zinc/46/54/36/623465436.db2.gz NVZSOEKOPNRXGQ-GOEBONIOSA-N 1 0 290.407 2.289 10 0 CEAERO CO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2CO)C12CCC2 ZINC000308358097 623668459 /nfs/dbraw/zinc/66/84/59/623668459.db2.gz DWPIGSAICIFIIG-RFQIPJPRSA-N 1 0 253.386 2.085 10 0 CEAERO C[NH2+]CCNc1ncc(Br)cc1Cl ZINC000234387861 623991549 /nfs/dbraw/zinc/99/15/49/623991549.db2.gz CCYJVXJIIOOQFK-UHFFFAOYSA-N 1 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628223731 /nfs/dbraw/zinc/22/37/31/628223731.db2.gz RPRPUUAMTRYGTJ-CQLXCSJHSA-N 1 0 295.345 2.363 10 0 CEAERO C[C@H](C[NH2+][C@@H](C)[C@H]1CCOC1)N(C)C(=O)OC(C)(C)C ZINC000310008464 628241319 /nfs/dbraw/zinc/24/13/19/628241319.db2.gz XMJULFQLOMNOJS-AGIUHOORSA-N 1 0 286.416 2.256 10 0 CEAERO Cc1cc(F)ccc1C(=O)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000312943441 628566154 /nfs/dbraw/zinc/56/61/54/628566154.db2.gz GSNJJUAEPCBYJY-QWHCGFSZSA-N 1 0 276.355 2.158 10 0 CEAERO Cc1occc1C[NH2+][C@H]1CCC[C@H]1Oc1cnn(C)c1 ZINC000888099087 628867915 /nfs/dbraw/zinc/86/79/15/628867915.db2.gz REEQBGPNUXBRMR-LSDHHAIUSA-N 1 0 275.352 2.411 10 0 CEAERO Cc1cc(C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)ccc1N ZINC000094444512 628917246 /nfs/dbraw/zinc/91/72/46/628917246.db2.gz ZPANATIBQKLSGP-ZFWWWQNUSA-N 1 0 287.407 2.276 10 0 CEAERO CCc1cc(C(=O)N2CC[C@H]([NH+](C)C)C2)cc(Cl)n1 ZINC000228115963 628920649 /nfs/dbraw/zinc/92/06/49/628920649.db2.gz OQEMIOXEBFSTHX-LBPRGKRZSA-N 1 0 281.787 2.074 10 0 CEAERO CCC[C@H]([NH3+])C(=O)NCC1(c2ccc(F)cc2F)CC1 ZINC000236848240 628927564 /nfs/dbraw/zinc/92/75/64/628927564.db2.gz SHZXHVQVGJOKFL-ZDUSSCGKSA-N 1 0 282.334 2.240 10 0 CEAERO Cc1ccnc(N2CC[C@@H]([C@H](C)[NH3+])C2)c1Br ZINC000261534725 628935888 /nfs/dbraw/zinc/93/58/88/628935888.db2.gz TWWJWOAYNUCISU-VHSXEESVSA-N 1 0 284.201 2.326 10 0 CEAERO Cc1[nH+]ccc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1Cl ZINC000261544981 628937434 /nfs/dbraw/zinc/93/74/34/628937434.db2.gz FLNRJHLMAUSQCV-MNOVXSKESA-N 1 0 251.761 2.232 10 0 CEAERO Cc1cc(Br)cnc1N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261554900 628937912 /nfs/dbraw/zinc/93/79/12/628937912.db2.gz PHVDPQUMUBNICE-ZMLRMANQSA-N 1 0 296.212 2.326 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1Cc1csc(C(C)(C)C)n1 ZINC000261561996 628938519 /nfs/dbraw/zinc/93/85/19/628938519.db2.gz VWXKHNVKAQINNZ-MWLCHTKSSA-N 1 0 253.415 2.362 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1cc2ccccc2s1 ZINC000261566069 628939797 /nfs/dbraw/zinc/93/97/97/628939797.db2.gz ICFWBWWLBUUACQ-GXSJLCMTSA-N 1 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ZPULHXSCFMSPHB-SNVBAGLBSA-N 1 0 284.201 2.328 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000261683149 628987647 /nfs/dbraw/zinc/98/76/47/628987647.db2.gz HVEUHARJCDVANN-APIJFGDWSA-N 1 0 284.444 2.188 10 0 CEAERO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1cc(-c2cccs2)[nH]n1 ZINC000236980209 629143948 /nfs/dbraw/zinc/14/39/48/629143948.db2.gz JYKMFLUNGOCXIY-PELKAZGASA-N 1 0 278.381 2.450 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C)c(C(=O)N(C)C)c1 ZINC000237005657 629148629 /nfs/dbraw/zinc/14/86/29/629148629.db2.gz XAWGMARDWJFXDU-QMTHXVAHSA-N 1 0 291.395 2.009 10 0 CEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NCc2ccc(F)nc2)C1 ZINC000249472865 629150386 /nfs/dbraw/zinc/15/03/86/629150386.db2.gz SKVRYRJWPOSXTK-WCQYABFASA-N 1 0 251.349 2.039 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)c1cnc(Cc2ccccc2)s1 ZINC000261784635 629227381 /nfs/dbraw/zinc/22/73/81/629227381.db2.gz QJUBIZQKNHARFK-NSHDSACASA-N 1 0 289.404 2.072 10 0 CEAERO [NH3+]C1(CNc2ncnc3c2cnn3-c2ccccc2)CCC1 ZINC000262537782 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C[C@@H]1CN(C(=O)n2ccnc2)CC[N@H+](Cc2ccccc2)C1 ZINC000323628327 633407325 /nfs/dbraw/zinc/40/73/25/633407325.db2.gz PIYHVPIUZFBQQZ-HNNXBMFYSA-N 1 0 298.390 2.305 10 0 CEAERO Cc1cnc(-c2noc([C@H]3CCCC[C@@H]3C[NH3+])n2)nc1 ZINC000164810591 639396543 /nfs/dbraw/zinc/39/65/43/639396543.db2.gz WUUZBDCZVGYYKU-MNOVXSKESA-N 1 0 273.340 2.068 10 0 CEAERO Cc1cnc(-c2noc([C@@H]3CCCC[C@H]3C[NH3+])n2)nc1 ZINC000164810703 639397086 /nfs/dbraw/zinc/39/70/86/639397086.db2.gz WUUZBDCZVGYYKU-WDEREUQCSA-N 1 0 273.340 2.068 10 0 CEAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCS(C)(=O)=O ZINC000225321074 639491239 /nfs/dbraw/zinc/49/12/39/639491239.db2.gz HNYIHTYOLMODIM-AGIUHOORSA-N 1 0 261.431 2.081 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1cc(Cl)nc(Cl)c1 ZINC000157769917 639523416 /nfs/dbraw/zinc/52/34/16/639523416.db2.gz PHCMPSZCVWBZEI-CBAPKCEASA-N 1 0 288.178 2.246 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCC(CC)(CC)SC ZINC000226376021 639542460 /nfs/dbraw/zinc/54/24/60/639542460.db2.gz 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CEAERO c1c2nc(C3CC[NH2+]CC3)[nH]c2cc2c1OCCCO2 ZINC000034939124 361799166 /nfs/dbraw/zinc/79/91/66/361799166.db2.gz CAQWLQMFOQLUSS-UHFFFAOYSA-N 1 0 273.336 2.191 10 0 CEAERO CC(C)c1ccc(COC(=O)CCC(=O)C[NH3+])cc1 ZINC000034003062 361787122 /nfs/dbraw/zinc/78/71/22/361787122.db2.gz IBHBSJFUVWAIQI-UHFFFAOYSA-N 1 0 263.337 2.161 10 0 CEAERO CNc1c(Cl)ncnc1N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000125067714 187168490 /nfs/dbraw/zinc/16/84/90/187168490.db2.gz ZKBIECMTULOLOU-ZJUUUORDSA-N 1 0 283.807 2.312 10 0 CEAERO CC[NH2+][C@H](C)C[C@@H](C)S(=O)(=O)c1cccs1 ZINC000082798422 178301621 /nfs/dbraw/zinc/30/16/21/178301621.db2.gz PUDMMOQRZNSFSQ-NXEZZACHSA-N 1 0 261.412 2.298 10 0 CEAERO COc1ccc(-c2n[nH]c3c2C[N@H+](C)CC3)cc1OC ZINC000082807689 178310329 /nfs/dbraw/zinc/31/03/29/178310329.db2.gz MQHVVNZTZQOSIK-UHFFFAOYSA-N 1 0 273.336 2.082 10 0 CEAERO C[NH2+][C@@H]1CCC[C@H](S(=O)(=O)c2cccs2)C1 ZINC000082818534 178316309 /nfs/dbraw/zinc/31/63/09/178316309.db2.gz VVJKXRUFCPFPGQ-ZJUUUORDSA-N 1 0 259.396 2.052 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1CNc1ncc(Br)cn1 ZINC000082991967 178333056 /nfs/dbraw/zinc/33/30/56/178333056.db2.gz DNZNYUXGBDCBHA-SCZZXKLOSA-N 1 0 285.189 2.169 10 0 CEAERO [NH3+][C@H](CO)CCSc1nc2ccccc2s1 ZINC000082905188 178329407 /nfs/dbraw/zinc/32/94/07/178329407.db2.gz RYBNGHRFSGREKB-QMMMGPOBSA-N 1 0 254.380 2.098 10 0 CEAERO CC[C@H](O)C[N@H+](CCCOC)Cc1ccccc1F ZINC000036096274 361827322 /nfs/dbraw/zinc/82/73/22/361827322.db2.gz SBNONHQECWJKNC-AWEZNQCLSA-N 1 0 269.360 2.435 10 0 CEAERO COCc1nc(C[NH2+]CC[C@H]2CC2(F)F)cs1 ZINC000621378296 349587585 /nfs/dbraw/zinc/58/75/85/349587585.db2.gz SMKLTADQHMPWNF-QMMMGPOBSA-N 1 0 262.325 2.424 10 0 CEAERO [NH3+]CCNc1nccc2c(Br)cccc21 ZINC000096836622 185115199 /nfs/dbraw/zinc/11/51/99/185115199.db2.gz DPGVOYXRLSWDQA-UHFFFAOYSA-N 1 0 266.142 2.368 10 0 CEAERO CCC[NH2+][C@H](CCO)CN(CCC(C)C)C1CC1 ZINC000096845338 185117251 /nfs/dbraw/zinc/11/72/51/185117251.db2.gz ZHRGXLCIFVFPCI-CQSZACIVSA-N 1 0 256.434 2.248 10 0 CEAERO CC[C@H]1CN(CC(=O)N(CC)C2=CCCC2)[C@@H](CC)C[NH2+]1 ZINC000096866111 185118011 /nfs/dbraw/zinc/11/80/11/185118011.db2.gz AYRISSFDPCZGDF-GJZGRUSLSA-N 1 0 293.455 2.365 10 0 CEAERO C[N@@H+]1CCC[C@@H](NCc2nc3ccccc3[nH]2)CC1 ZINC000096889345 185123636 /nfs/dbraw/zinc/12/36/36/185123636.db2.gz KGUPCEVGPWVSDD-GFCCVEGCSA-N 1 0 258.369 2.137 10 0 CEAERO CCS(=O)(=O)c1ccc(/C=C/CCC[NH3+])cc1 ZINC000096890958 185123910 /nfs/dbraw/zinc/12/39/10/185123910.db2.gz MVNILDRUGPRXGN-GQCTYLIASA-N 1 0 253.367 2.232 10 0 CEAERO CC[C@H]([NH3+])C(=O)Nc1ccccc1Br ZINC000036871316 361866156 /nfs/dbraw/zinc/86/61/56/361866156.db2.gz KFDKYLNZYDCEJN-QMMMGPOBSA-N 1 0 257.131 2.125 10 0 CEAERO CC(C)[C@H](C)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000036954897 361872961 /nfs/dbraw/zinc/87/29/61/361872961.db2.gz PJCRLQJXTWJSMM-QWRGUYRKSA-N 1 0 270.398 2.029 10 0 CEAERO c1ccc(CN2CCC[C@]3(CSCC[NH2+]3)C2)cc1 ZINC000096949201 185138074 /nfs/dbraw/zinc/13/80/74/185138074.db2.gz LIMWAGPWMSNAHQ-OAHLLOKOSA-N 1 0 262.422 2.358 10 0 CEAERO CC(C)(C)OC(=O)N[C@H]1CC[NH2+]CC12CCCC2 ZINC000096958481 185141989 /nfs/dbraw/zinc/14/19/89/185141989.db2.gz BLNUOFJIYZEIEL-NSHDSACASA-N 1 0 254.374 2.433 10 0 CEAERO [NH3+]CCCC(=O)Cc1cccc(Br)c1 ZINC000096957569 185141732 /nfs/dbraw/zinc/14/17/32/185141732.db2.gz PUNRIXVLELSOFT-UHFFFAOYSA-N 1 0 256.143 2.300 10 0 CEAERO CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000096958541 185141883 /nfs/dbraw/zinc/14/18/83/185141883.db2.gz LGXLMDDEBCEULE-NWDGAFQWSA-N 1 0 254.374 2.386 10 0 CEAERO C[C@H](c1cccs1)n1cncc1[C@H]1C[NH2+]CCO1 ZINC000097014800 185152002 /nfs/dbraw/zinc/15/20/02/185152002.db2.gz MOQRRDQPWNDSGO-ZYHUDNBSSA-N 1 0 263.366 2.215 10 0 CEAERO Cc1ccc2n1CCN(C(=O)C1CCC(C[NH3+])CC1)[C@H]2C ZINC000097031636 185155254 /nfs/dbraw/zinc/15/52/54/185155254.db2.gz GVNNKNSFTSZQOJ-NFOMZHRRSA-N 1 0 289.423 2.465 10 0 CEAERO C[C@H]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000262569325 290636419 /nfs/dbraw/zinc/63/64/19/290636419.db2.gz SEDBERLFWBRMND-RZLSGREXSA-N 1 0 264.413 2.461 10 0 CEAERO Cc1nccc(C[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)n1 ZINC000038037759 282184306 /nfs/dbraw/zinc/18/43/06/282184306.db2.gz LULCIQRBLPDIJS-JTQLQIEISA-N 1 0 285.351 2.126 10 0 CEAERO C[C@@H]1CCC[C@H](C)N(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261841285 539177013 /nfs/dbraw/zinc/17/70/13/539177013.db2.gz UYVPTMSIPQFYHC-XJFOESAGSA-N 1 0 252.402 2.399 10 0 CEAERO Cc1ccc2c(c1Br)NC[C@@]21C[C@@H]1[NH3+] ZINC000725246985 539191971 /nfs/dbraw/zinc/19/19/71/539191971.db2.gz CMFVQWWCTGCQRN-KWQFWETISA-N 1 0 253.143 2.152 10 0 CEAERO [NH3+][C@@H]1C[C@@]12CNc1c2cc(Br)cc1Cl ZINC000725247493 539192645 /nfs/dbraw/zinc/19/26/45/539192645.db2.gz OJVUEEFXZFAXMS-SCZZXKLOSA-N 1 0 273.561 2.497 10 0 CEAERO Brc1cc(C2CC2)cc2nc(C3C[NH2+]C3)nn21 ZINC000725248332 539193288 /nfs/dbraw/zinc/19/32/88/539193288.db2.gz RJFJNHQQNCRRBM-UHFFFAOYSA-N 1 0 293.168 2.056 10 0 CEAERO CC1(C)C[C@H](O)CC[N@H+](C[C@H]2CCC[C@@H](O)C2)C1 ZINC000395384452 539185043 /nfs/dbraw/zinc/18/50/43/539185043.db2.gz 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KRUXUUIOLPQBNH-HNNXBMFYSA-N 1 0 286.379 2.262 10 0 CEAERO CCOCCCNC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000047676579 362221321 /nfs/dbraw/zinc/22/13/21/362221321.db2.gz PIOBLNDHRFTCEK-OAHLLOKOSA-N 1 0 293.411 2.015 10 0 CEAERO O[C@@H]1CCC[C@H]([NH2+]Cc2c[nH]nc2-c2ccccc2)C1 ZINC000041640519 343442637 /nfs/dbraw/zinc/44/26/37/343442637.db2.gz IHCGNCKPWHMWCX-LSDHHAIUSA-N 1 0 271.364 2.470 10 0 CEAERO CCc1cc2c(ncnc2N2CC[C@H]([NH3+])[C@@H](C)C2)s1 ZINC000227076771 136387866 /nfs/dbraw/zinc/38/78/66/136387866.db2.gz ITEHECBAIXIKJK-CABZTGNLSA-N 1 0 276.409 2.427 10 0 CEAERO O=C(NCCCC[NH+]1CCCC1)c1ccc(F)cc1 ZINC000044456346 343472009 /nfs/dbraw/zinc/47/20/09/343472009.db2.gz PTDSYILUVHJAEU-UHFFFAOYSA-N 1 0 264.344 2.432 10 0 CEAERO CO[C@H](C)C[N@H+](C[C@@H](O)COCc1ccccc1)C(C)C ZINC000336716377 365779916 /nfs/dbraw/zinc/77/99/16/365779916.db2.gz PEDNUPVSKMTQTJ-NVXWUHKLSA-N 1 0 295.423 2.309 10 0 CEAERO [NH3+]C[C@@H](O)c1ccc(Br)c(Cl)c1 ZINC000059700151 343653747 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ZINC000306254317 344712439 /nfs/dbraw/zinc/71/24/39/344712439.db2.gz OAHHPMIISHSMLY-JGVFFNPUSA-N 1 0 260.156 2.072 10 0 CEAERO CC[C@H]([NH3+])[C@H](O)c1cccc(I)c1 ZINC000306230100 344712537 /nfs/dbraw/zinc/71/25/37/344712537.db2.gz IYKHSGXCMZLIAT-VHSXEESVSA-N 1 0 291.132 2.062 10 0 CEAERO [NH3+]CCn1cc(-c2cscc2Br)cn1 ZINC000306582982 344715077 /nfs/dbraw/zinc/71/50/77/344715077.db2.gz DNIMVABDIDVNCR-UHFFFAOYSA-N 1 0 272.171 2.333 10 0 CEAERO Cc1cc([C@H]2COCC(N)=[NH+]2)sc1Br ZINC000306826006 344717728 /nfs/dbraw/zinc/71/77/28/344717728.db2.gz ZAQTUKSTTLGTJN-ZCFIWIBFSA-N 1 0 275.171 2.248 10 0 CEAERO O=[S@@](c1cc(Cl)cc(Cl)c1)C1C[NH2+]C1 ZINC000306826212 344717853 /nfs/dbraw/zinc/71/78/53/344717853.db2.gz ZEDQTKGPXJHKCR-AWEZNQCLSA-N 1 0 250.150 2.073 10 0 CEAERO c1nc2ccccn2c1CN(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000328633518 344757590 /nfs/dbraw/zinc/75/75/90/344757590.db2.gz MCXVEPNRSGHMHK-ZDUSSCGKSA-N 1 0 270.380 2.051 10 0 CEAERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCc2nccn2C1 ZINC000328625698 344756626 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344860390 /nfs/dbraw/zinc/86/03/90/344860390.db2.gz CSXMJZMIPXLICI-UJFKTDLFSA-N 1 0 250.386 2.071 10 0 CEAERO COC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403071867 344874270 /nfs/dbraw/zinc/87/42/70/344874270.db2.gz GNDDCULLRNKDEF-MQYQWHSLSA-N 1 0 251.370 2.450 10 0 CEAERO CC(C)(C)c1ccc([S@@](=O)[C@@H]2COCC[C@@H]2[NH3+])cc1 ZINC000084031174 178773192 /nfs/dbraw/zinc/77/31/92/178773192.db2.gz LWAPSTUEFIYGRO-KSMMKXTCSA-N 1 0 281.421 2.208 10 0 CEAERO CC[NH2+][C@H](C[S@@](=O)c1ccccc1C)C1CC1 ZINC000084040057 178776935 /nfs/dbraw/zinc/77/69/35/178776935.db2.gz AINMHNYARMQEJY-DYVFJYSZSA-N 1 0 251.395 2.491 10 0 CEAERO CC[NH2+][C@H]1c2ccc(OC)cc2CC[C@H]1[S@](C)=O ZINC000084047572 178778525 /nfs/dbraw/zinc/77/85/25/178778525.db2.gz HTMBNSXHMXYEFO-QWQRMKEZSA-N 1 0 267.394 2.039 10 0 CEAERO CCOC(=O)[C@H](CC)Oc1cccc([C@@H](C)[NH3+])c1 ZINC000084098246 178788865 /nfs/dbraw/zinc/78/88/65/178788865.db2.gz LLISSTAMRWERHJ-MFKMUULPSA-N 1 0 251.326 2.427 10 0 CEAERO CCOc1ccc([C@@H](O)[C@H](C)[N@@H+]2CCCN(C)CC2)cc1 ZINC000584617103 344965671 /nfs/dbraw/zinc/96/56/71/344965671.db2.gz IAUOVIZMDZJGOS-YOEHRIQHSA-N 1 0 292.423 2.145 10 0 CEAERO c1[nH]c2ncc(NC3CC[NH2+]CC3)nc2c1-c1cccnc1 ZINC000584638546 344971447 /nfs/dbraw/zinc/97/14/47/344971447.db2.gz BHQMUUZYYUESOM-UHFFFAOYSA-N 1 0 294.362 2.184 10 0 CEAERO CCCCC[N@@H+]1CCN2C(=O)N(CC)CC[C@H]2C1 ZINC000584639974 344972058 /nfs/dbraw/zinc/97/20/58/344972058.db2.gz ABYDLGQANHIICG-ZDUSSCGKSA-N 1 0 253.390 2.008 10 0 CEAERO CC(C)c1ccc([C@@H](O)C[NH2+][C@H]2CCC(=O)N(C)C2)cc1 ZINC000084087565 178784811 /nfs/dbraw/zinc/78/48/11/178784811.db2.gz UIFAHQWKXZFKAR-HOTGVXAUSA-N 1 0 290.407 2.054 10 0 CEAERO COCC[NH2+]C[C@H](C)CCc1cccc(OC)c1 ZINC000084141250 178800225 /nfs/dbraw/zinc/80/02/25/178800225.db2.gz WGIYSUKQDJJACY-CYBMUJFWSA-N 1 0 251.370 2.500 10 0 CEAERO Cc1n[nH]c(C)c1NC(=O)CC1([NH3+])CCCCC1 ZINC000084164314 178810957 /nfs/dbraw/zinc/81/09/57/178810957.db2.gz VHURPHMQWVYIQB-UHFFFAOYSA-N 1 0 250.346 2.017 10 0 CEAERO CCC(=O)Nc1cccc(NC(=O)CC(C)(C)[NH3+])c1 ZINC000084184104 178817872 /nfs/dbraw/zinc/81/78/72/178817872.db2.gz IHEOFTMWGLUULH-UHFFFAOYSA-N 1 0 263.341 2.101 10 0 CEAERO CC(=O)Nc1cc(NC(=O)C[C@H]2CCC[NH2+]C2)ccc1C ZINC000054307470 362526303 /nfs/dbraw/zinc/52/63/03/362526303.db2.gz LBFGSNVACYCGQH-CYBMUJFWSA-N 1 0 289.379 2.282 10 0 CEAERO Cc1ccc(C)c(CN2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000128235005 187359500 /nfs/dbraw/zinc/35/95/00/187359500.db2.gz RVPCGFWWGVUIOG-MRXNPFEDSA-N 1 0 262.397 2.066 10 0 CEAERO C[C@@H]1CN(C(=O)/C=C/c2ccccc2Cl)C[C@@H]1[NH3+] ZINC000493170983 290748457 /nfs/dbraw/zinc/74/84/57/290748457.db2.gz KKMCBVHGIOSGCI-BGLVSGNDSA-N 1 0 264.756 2.159 10 0 CEAERO CCC[C@H](C)NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000591539187 345264222 /nfs/dbraw/zinc/26/42/22/345264222.db2.gz VADJDYWAWCYPPC-STQMWFEESA-N 1 0 253.390 2.055 10 0 CEAERO Cc1nn(C)c(C[C@H]2CCC[NH2+]C2)c1Br ZINC000084276482 178840753 /nfs/dbraw/zinc/84/07/53/178840753.db2.gz POLUWNTXZNCNFO-SECBINFHSA-N 1 0 272.190 2.033 10 0 CEAERO CCC[NH+](CCC)[C@@H](C)C[C@](C)(NC)C(=O)OCC ZINC000084302698 178851501 /nfs/dbraw/zinc/85/15/01/178851501.db2.gz ORCNHNHBYGOVQI-ZFWWWQNUSA-N 1 0 272.433 2.428 10 0 CEAERO CC[C@@H](O)CC[NH2+][C@@H]1CCN(CCc2ccccc2)C1 ZINC000127392915 187302478 /nfs/dbraw/zinc/30/24/78/187302478.db2.gz MTZHQEFBUMZDQH-IAGOWNOFSA-N 1 0 276.424 2.054 10 0 CEAERO CCOC(=O)[C@](C)(C[C@H](C)[N@H+](C)C(C)C)NC1CC1 ZINC000084301814 178850618 /nfs/dbraw/zinc/85/06/18/178850618.db2.gz XCQKFDLOTPADQA-WFASDCNBSA-N 1 0 270.417 2.179 10 0 CEAERO [NH3+]C[C@H](Nc1ncncc1Cl)C1CCCCC1 ZINC000097848263 232187596 /nfs/dbraw/zinc/18/75/96/232187596.db2.gz OPBKSYRUVWCBGE-NSHDSACASA-N 1 0 254.765 2.450 10 0 CEAERO CN[C@](C)(C[C@H](C)[NH+]1CCC(C)(C)CC1)C(=O)OC ZINC000084354511 178866015 /nfs/dbraw/zinc/86/60/15/178866015.db2.gz AGZVQYVZEHGNKX-SWLSCSKDSA-N 1 0 270.417 2.038 10 0 CEAERO CCc1cc([C@H]([NH3+])c2cc(OC)ccc2OC)n(C)n1 ZINC000097137399 185543401 /nfs/dbraw/zinc/54/34/01/185543401.db2.gz FFJXCLZVEWKCBF-OAHLLOKOSA-N 1 0 275.352 2.048 10 0 CEAERO CC[NH2+][C@H](Cn1cnc2ccccc21)C1CCOCC1 ZINC000097180936 185556154 /nfs/dbraw/zinc/55/61/54/185556154.db2.gz UATUZHRLQAPOOJ-OAHLLOKOSA-N 1 0 273.380 2.441 10 0 CEAERO C[NH2+][C@H]1CC[C@H]([S@](=O)Cc2ccccc2C)C1 ZINC000084434153 178888410 /nfs/dbraw/zinc/88/84/10/178888410.db2.gz UNICYPRTAQVALY-ZQIUZPCESA-N 1 0 251.395 2.384 10 0 CEAERO CCCn1nccc1[C@H]([NH2+]C)c1cc(C)nnc1CC ZINC000097185421 185557257 /nfs/dbraw/zinc/55/72/57/185557257.db2.gz VKDIMTQEYDXOES-OAHLLOKOSA-N 1 0 273.384 2.263 10 0 CEAERO CC[NH2+][C@@H](CCc1c(C)nn(C)c1C)c1ccnn1C ZINC000097187843 185557298 /nfs/dbraw/zinc/55/72/98/185557298.db2.gz TWUYLDKTYZAHBM-AWEZNQCLSA-N 1 0 275.400 2.054 10 0 CEAERO CN(CCO)CC[N@H+](C)CC1CCC(C)(C)CC1 ZINC000623090821 349935363 /nfs/dbraw/zinc/93/53/63/349935363.db2.gz BAEYAKRNUGPXGP-UHFFFAOYSA-N 1 0 256.434 2.059 10 0 CEAERO C[NH2+][C@@H](Cc1c(C)nn(C)c1C)c1cnccc1C ZINC000097301553 185581137 /nfs/dbraw/zinc/58/11/37/185581137.db2.gz NQKNZXRALCDJIS-HNNXBMFYSA-N 1 0 258.369 2.244 10 0 CEAERO Cc1c2cc(F)ccc2oc1[C@@H]([NH3+])Cc1ncnn1C ZINC000097275301 185576023 /nfs/dbraw/zinc/57/60/23/185576023.db2.gz PMYJBLNKYYEJBX-NSHDSACASA-N 1 0 274.299 2.251 10 0 CEAERO C[NH2+][C@H](Cc1ncnn1C)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000097275617 185576734 /nfs/dbraw/zinc/57/67/34/185576734.db2.gz IJCFOLFRLMHITD-OUAUKWLOSA-N 1 0 290.333 2.314 10 0 CEAERO CCOCCC[C@@H]([NH3+])Cc1c(Cl)c(CC)nn1C ZINC000097276274 185577163 /nfs/dbraw/zinc/57/71/63/185577163.db2.gz APRNAKWMCDDRHY-SNVBAGLBSA-N 1 0 273.808 2.322 10 0 CEAERO CCc1cc(C[C@H]([NH3+])c2c(C)nn(C)c2C)n(CC)n1 ZINC000097279870 185577834 /nfs/dbraw/zinc/57/78/34/185577834.db2.gz ISAOMDPKSXZQCU-AWEZNQCLSA-N 1 0 275.400 2.058 10 0 CEAERO C[NH2+][C@@H](COC(C)C)Cc1nn(C)c2ccccc12 ZINC000097279226 185577997 /nfs/dbraw/zinc/57/79/97/185577997.db2.gz GRKAKOJRGJPDNV-GFCCVEGCSA-N 1 0 261.369 2.129 10 0 CEAERO COc1cc(C)c([C@@H]([NH3+])c2cnc(C)cn2)cc1C ZINC000097389234 185596355 /nfs/dbraw/zinc/59/63/55/185596355.db2.gz WDVXBMXEZOSYIE-OAHLLOKOSA-N 1 0 257.337 2.459 10 0 CEAERO [NH3+][C@@H](Cc1cccnc1)c1cccc2nccnc21 ZINC000097390736 185597502 /nfs/dbraw/zinc/59/75/02/185597502.db2.gz FZVMKURHNGDVIJ-ZDUSSCGKSA-N 1 0 250.305 2.267 10 0 CEAERO C[C@H]1CC[C@H]([NH2+]CCCN2CCOCC2)C[C@@H]1C ZINC000084982549 178938785 /nfs/dbraw/zinc/93/87/85/178938785.db2.gz VHADAPPFMYCQDV-KKUMJFAQSA-N 1 0 254.418 2.123 10 0 CEAERO CO[C@@H](C)CC[C@H]([NH3+])Cc1c(C)nn(C)c1Cl ZINC000097414932 185598705 /nfs/dbraw/zinc/59/87/05/185598705.db2.gz LSYFUAYZZZXIOG-WPRPVWTQSA-N 1 0 259.781 2.067 10 0 CEAERO CCC[NH2+]C[C@@H](O)Cc1sccc1Br ZINC000084993043 178940992 /nfs/dbraw/zinc/94/09/92/178940992.db2.gz YSHMEMACGJDWDS-QMMMGPOBSA-N 1 0 278.215 2.414 10 0 CEAERO CC[C@@H]([NH3+])[C@H](CC(=O)OC)c1ccc(OC)c(OC)c1 ZINC000097431905 185602622 /nfs/dbraw/zinc/60/26/22/185602622.db2.gz YHKJAUHZNOUDGP-VXGBXAGGSA-N 1 0 281.352 2.088 10 0 CEAERO CC[C@@](CC(=O)OC)(c1ccc(OC)cc1)[C@H](C)[NH3+] ZINC000097430944 185601620 /nfs/dbraw/zinc/60/16/20/185601620.db2.gz LRZMLCINJDKOQE-NHYWBVRUSA-N 1 0 265.353 2.253 10 0 CEAERO COC(=O)C[C@](C)(Cc1ccccc1OC)[C@H](C)[NH3+] ZINC000097430828 185601900 /nfs/dbraw/zinc/60/19/00/185601900.db2.gz DRNHOISUMSPYQW-NHYWBVRUSA-N 1 0 265.353 2.154 10 0 CEAERO CC[NH2+]C[C@](C)(O)Cc1cc(F)ccc1Br ZINC000085076295 178947925 /nfs/dbraw/zinc/94/79/25/178947925.db2.gz MHRCUGMCHDSQRD-GFCCVEGCSA-N 1 0 290.176 2.491 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](CC(=O)OC)c1cccc(OC)c1OC ZINC000097432577 185602083 /nfs/dbraw/zinc/60/20/83/185602083.db2.gz JTMFQSMKUBQYBH-NWDGAFQWSA-N 1 0 281.352 2.088 10 0 CEAERO OC[C@@]1([NH2+]C[C@@H]2CCCO2)CCC[C@@H](C(F)(F)F)C1 ZINC000085132039 178954078 /nfs/dbraw/zinc/95/40/78/178954078.db2.gz GKIKOKQRQQMPTP-GRYCIOLGSA-N 1 0 281.318 2.239 10 0 CEAERO C[NH2+][C@H](C[C@@H](C)COC)c1c(OC)cnn1C(C)C ZINC000097450360 185608728 /nfs/dbraw/zinc/60/87/28/185608728.db2.gz PGVRLZVBGUDQNH-VXGBXAGGSA-N 1 0 269.389 2.406 10 0 CEAERO COc1ccccc1[C@@H](C[NH3+])SC[C@@H](C)CO ZINC000097459573 185610232 /nfs/dbraw/zinc/61/02/32/185610232.db2.gz DUVBJIFJYOPOCW-GXFFZTMASA-N 1 0 255.383 2.057 10 0 CEAERO C[NH2+][C@H](Cc1ccn(C(C)C)n1)C[C@@H]1CCCO1 ZINC000085169614 178961770 /nfs/dbraw/zinc/96/17/70/178961770.db2.gz QBTHDIORYOTARK-KGLIPLIRSA-N 1 0 251.374 2.164 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)CN(C)c1ccc(F)cc1 ZINC000085214315 178978885 /nfs/dbraw/zinc/97/88/85/178978885.db2.gz PONNLWMLOYPGHE-CQSZACIVSA-N 1 0 254.349 2.011 10 0 CEAERO CCc1nnc(CN(C)[C@H](C)Cc2ccc(O)cc2)n1C ZINC000177991888 232367532 /nfs/dbraw/zinc/36/75/32/232367532.db2.gz FOICHEWFZDBBPW-GFCCVEGCSA-N 1 0 288.395 2.146 10 0 CEAERO CCOc1ccc([C@@H](NN)[C@](C)(CC)[NH+](C)C)cc1 ZINC000097582961 185630779 /nfs/dbraw/zinc/63/07/79/185630779.db2.gz XNILVJHFRZJNKW-CABCVRRESA-N 1 0 265.401 2.320 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@@H](CC[C@@H]1CCCO1)NN ZINC000097583742 185630807 /nfs/dbraw/zinc/63/08/07/185630807.db2.gz UHHCPGJOPACWJE-RRFJBIMHSA-N 1 0 271.449 2.288 10 0 CEAERO CC[NH2+][C@@](CO)(COCC(F)(F)F)c1ccccc1 ZINC000085282786 179000626 /nfs/dbraw/zinc/00/06/26/179000626.db2.gz BZJUXTNZTAZTEI-LBPRGKRZSA-N 1 0 277.286 2.063 10 0 CEAERO C[NH2+][C@H](CO)CCOc1ccccc1C(F)(F)F ZINC000085282988 179000910 /nfs/dbraw/zinc/00/09/10/179000910.db2.gz QJAPQCNCQPHJAG-VIFPVBQESA-N 1 0 263.259 2.055 10 0 CEAERO CC[NH2+][C@](CO)(COc1cccc(C)c1C)C1CC1 ZINC000085283841 179001730 /nfs/dbraw/zinc/00/17/30/179001730.db2.gz QZRFBUBIKNBBBI-MRXNPFEDSA-N 1 0 263.381 2.433 10 0 CEAERO CC[NH2+][C@](C)(CO)C[C@H](C)Oc1ccc(F)cc1 ZINC000085285108 179002579 /nfs/dbraw/zinc/00/25/79/179002579.db2.gz IZSYEYUSCYWELJ-FZMZJTMJSA-N 1 0 255.333 2.344 10 0 CEAERO CCc1ccc(OC[C@@](C)(CO)[NH2+]C(C)C)cc1 ZINC000085284107 179002413 /nfs/dbraw/zinc/00/24/13/179002413.db2.gz FUTAPYDHHWABIK-OAHLLOKOSA-N 1 0 251.370 2.377 10 0 CEAERO CCOc1cccc(OCCCC[C@](C)([NH3+])CO)c1 ZINC000085265016 178995391 /nfs/dbraw/zinc/99/53/91/178995391.db2.gz APVLZIWSPRPITG-HNNXBMFYSA-N 1 0 267.369 2.344 10 0 CEAERO Cc1ccc(C(C)(C)C)c(OC[C@@](C)([NH3+])CO)c1 ZINC000085267393 178997400 /nfs/dbraw/zinc/99/74/00/178997400.db2.gz ANDSMXVOMSFZCU-HNNXBMFYSA-N 1 0 251.370 2.381 10 0 CEAERO CC[NH2+][C@H](CO)CCO[C@@H]1CCCc2ccccc21 ZINC000085269727 178997774 /nfs/dbraw/zinc/99/77/74/178997774.db2.gz OUZFMOCXRGSOFL-GOEBONIOSA-N 1 0 263.381 2.441 10 0 CEAERO CC[NH2+][C@@](C)(CO)C[C@H](C)Oc1ccccc1OC ZINC000085285348 179003495 /nfs/dbraw/zinc/00/34/95/179003495.db2.gz RVIKKEPUGKWJIE-SWLSCSKDSA-N 1 0 267.369 2.213 10 0 CEAERO CC[NH2+][C@H](CO)CCOc1c(C)ccc(C)c1C ZINC000085286235 179003874 /nfs/dbraw/zinc/00/38/74/179003874.db2.gz CWOXAEDGGGYDDM-AWEZNQCLSA-N 1 0 251.370 2.351 10 0 CEAERO CCC[NH2+][C@H](CO)COc1c(C)ccc(C)c1C ZINC000085286231 179004152 /nfs/dbraw/zinc/00/41/52/179004152.db2.gz OCXILXGJCSNSJM-CQSZACIVSA-N 1 0 251.370 2.351 10 0 CEAERO CCc1ccccc1OC[C@@](C)(CO)[NH2+]C(C)C ZINC000085286409 179004172 /nfs/dbraw/zinc/00/41/72/179004172.db2.gz RWGLBCKXLHCMHK-OAHLLOKOSA-N 1 0 251.370 2.377 10 0 CEAERO CCC[NH2+][C@@](C)(CO)C[C@@H](C)Sc1nccn1C ZINC000085299183 179009969 /nfs/dbraw/zinc/00/99/69/179009969.db2.gz HFPFPQDBTXISIQ-DGCLKSJQSA-N 1 0 271.430 2.041 10 0 CEAERO COc1ccc(S[C@@H](C)C[C@@](C)([NH3+])CO)cc1 ZINC000085291861 179007497 /nfs/dbraw/zinc/00/74/97/179007497.db2.gz VPXAYIQIARDSDF-GXFFZTMASA-N 1 0 255.383 2.276 10 0 CEAERO Cc1ccc(SC[C@]([NH3+])(CO)C2CC2)cc1C ZINC000085292249 179008000 /nfs/dbraw/zinc/00/80/00/179008000.db2.gz HFINTWUINQPIPW-CQSZACIVSA-N 1 0 251.395 2.495 10 0 CEAERO CC(C)[NH2+][C@H](CO)CSc1ncnc2ccccc21 ZINC000085297220 179008693 /nfs/dbraw/zinc/00/86/93/179008693.db2.gz PDZOWWBOGIJTAS-LLVKDONJSA-N 1 0 277.393 2.081 10 0 CEAERO Cc1cnc(S[C@H](C)C[C@@](C)(CO)[NH2+]C2CC2)nc1 ZINC000085297779 179009268 /nfs/dbraw/zinc/00/92/68/179009268.db2.gz QBNPCSVMBGRLSQ-RISCZKNCSA-N 1 0 281.425 2.159 10 0 CEAERO CC[NH2+][C@@](C)(CO)CSc1ccc(F)cc1F ZINC000085298376 179009557 /nfs/dbraw/zinc/00/95/57/179009557.db2.gz AMKJLMKSBSSBGA-LBPRGKRZSA-N 1 0 261.337 2.417 10 0 CEAERO C[NH2+][C@@](C)(CO)CCCOc1ccc(C)c(C)c1 ZINC000085284710 179003016 /nfs/dbraw/zinc/00/30/16/179003016.db2.gz XACUAJXATPSYHN-OAHLLOKOSA-N 1 0 251.370 2.433 10 0 CEAERO C[C@H]1CCC[C@H](C)[NH+]1C[C@@](O)(CN)c1ccccc1 ZINC000085304277 179010871 /nfs/dbraw/zinc/01/08/71/179010871.db2.gz IKJCMQZWIZKTMS-DZKIICNBSA-N 1 0 262.397 2.096 10 0 CEAERO C[C@H]1CCC[C@H](OC[C@@](O)(C[NH3+])c2ccccc2)C1 ZINC000085305557 179012063 /nfs/dbraw/zinc/01/20/63/179012063.db2.gz WUXZMJWYVLYKQI-BPUTZDHNSA-N 1 0 263.381 2.428 10 0 CEAERO [NH3+]C[C@](O)(CO[C@H]1CCCc2ccccc21)C1CC1 ZINC000085306103 179012870 /nfs/dbraw/zinc/01/28/70/179012870.db2.gz MNLJHGWTCJFKIX-HOTGVXAUSA-N 1 0 261.365 2.180 10 0 CEAERO CCc1nn(C)c(CSC[C@@H](C)[NH3+])c1Br ZINC000085313896 179013811 /nfs/dbraw/zinc/01/38/11/179013811.db2.gz AANHXRNLPSQZJC-SSDOTTSWSA-N 1 0 292.246 2.325 10 0 CEAERO C[C@@H]([NH3+])CSCC(=O)Nc1cccc(Cl)c1 ZINC000085312817 179013935 /nfs/dbraw/zinc/01/39/35/179013935.db2.gz POWBTQSEDBFHPX-MRVPVSSYSA-N 1 0 258.774 2.359 10 0 CEAERO CCC[NH2+][C@@H](CCO)c1ccc(OC)cc1OC ZINC000085320583 179014294 /nfs/dbraw/zinc/01/42/94/179014294.db2.gz ABXJGLHSYLOFIG-ZDUSSCGKSA-N 1 0 253.342 2.127 10 0 CEAERO CCC[NH2+][C@@H](CCO)c1ccc2c(c1)OCCCO2 ZINC000085320567 179014569 /nfs/dbraw/zinc/01/45/69/179014569.db2.gz QEKIDMMZACQFAZ-ZDUSSCGKSA-N 1 0 265.353 2.271 10 0 CEAERO COc1ccc(C)cc1NC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085356310 179030296 /nfs/dbraw/zinc/03/02/96/179030296.db2.gz JVBZNBDLOWQTRC-VXGBXAGGSA-N 1 0 262.353 2.460 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1ccc(F)cc1F ZINC000085356885 179030876 /nfs/dbraw/zinc/03/08/76/179030876.db2.gz OWLMBUQUDJKMNS-KOLCDFICSA-N 1 0 254.280 2.421 10 0 CEAERO COC(=O)c1cc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])ccc1Cl ZINC000085359878 179032306 /nfs/dbraw/zinc/03/23/06/179032306.db2.gz KLRAGIIUIAYHKX-BXKDBHETSA-N 1 0 296.754 2.193 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCC[C@@H]2[NH3+])o1 ZINC000085361024 179032791 /nfs/dbraw/zinc/03/27/91/179032791.db2.gz PWKMXZKBOHFRSK-WOPDTQHZSA-N 1 0 250.342 2.283 10 0 CEAERO CC[C@@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])c1ccc(OC)cc1 ZINC000085362893 179034284 /nfs/dbraw/zinc/03/42/84/179034284.db2.gz XGUDRBRROFPNLJ-QLFBSQMISA-N 1 0 276.380 2.390 10 0 CEAERO C[C@@H](CCc1ccc(O)cc1)NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085363985 179035523 /nfs/dbraw/zinc/03/55/23/179035523.db2.gz XBNURIKCNJEJLB-RCBQFDQVSA-N 1 0 290.407 2.347 10 0 CEAERO Cc1nn(C)c(CSCC(C)(C)[NH3+])c1Br ZINC000085350542 179029803 /nfs/dbraw/zinc/02/98/03/179029803.db2.gz KPKDMUTXXJPURI-UHFFFAOYSA-N 1 0 292.246 2.462 10 0 CEAERO CCOc1ccc(CN(C)C(=O)[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000085366490 179036955 /nfs/dbraw/zinc/03/69/55/179036955.db2.gz FBKKRWBQDNDOFT-LSDHHAIUSA-N 1 0 276.380 2.171 10 0 CEAERO COc1cc(C)ccc1NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085366196 179037041 /nfs/dbraw/zinc/03/70/41/179037041.db2.gz RKYCGIIMXCHUQQ-RYUDHWBXSA-N 1 0 262.353 2.460 10 0 CEAERO C[C@H](c1ccccc1F)N(C)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085368075 179038128 /nfs/dbraw/zinc/03/81/28/179038128.db2.gz MHIICCAMXGSNES-QKCSRTOESA-N 1 0 264.344 2.473 10 0 CEAERO CN(CCc1ccccc1)C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085368714 179038489 /nfs/dbraw/zinc/03/84/89/179038489.db2.gz UHVJYMNMZFYOPH-CABCVRRESA-N 1 0 260.381 2.205 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1cccc(F)c1F ZINC000085369831 179039691 /nfs/dbraw/zinc/03/96/91/179039691.db2.gz DULKXUMZQZKCJN-WPRPVWTQSA-N 1 0 254.280 2.421 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)N(Cc1ccsc1)C1CC1 ZINC000085370545 179040653 /nfs/dbraw/zinc/04/06/53/179040653.db2.gz MAKATYAXAADBGU-STQMWFEESA-N 1 0 264.394 2.367 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)NCc1nc2ccccc2s1 ZINC000085370856 179041286 /nfs/dbraw/zinc/04/12/86/179041286.db2.gz VQCNFTWBIGDCQI-ZJUUUORDSA-N 1 0 275.377 2.040 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)N(CC(F)(F)F)C1CC1 ZINC000085372862 179042121 /nfs/dbraw/zinc/04/21/21/179042121.db2.gz GHKVWGTURXYHKB-ZJUUUORDSA-N 1 0 264.291 2.057 10 0 CEAERO COc1ccc(Cl)c(NC(=O)[C@H]2CCC[C@H]2[NH3+])c1 ZINC000085372950 179042198 /nfs/dbraw/zinc/04/21/98/179042198.db2.gz OHNCXRKUERSIMO-GXSJLCMTSA-N 1 0 268.744 2.415 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)NCc1ccc(F)c(F)c1 ZINC000085372777 179042442 /nfs/dbraw/zinc/04/24/42/179042442.db2.gz WVICJEVQRKADTB-ZWNOBZJWSA-N 1 0 268.307 2.099 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)N(CC(F)(F)F)C1CC1 ZINC000085372866 179042456 /nfs/dbraw/zinc/04/24/56/179042456.db2.gz GHKVWGTURXYHKB-NXEZZACHSA-N 1 0 264.291 2.057 10 0 CEAERO Cc1cccc(OCCNC(=O)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000085372918 179042492 /nfs/dbraw/zinc/04/24/92/179042492.db2.gz OWJHOKKHWIFZNP-GJZGRUSLSA-N 1 0 276.380 2.008 10 0 CEAERO Cc1cccc(CCNC(=O)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000085373941 179042705 /nfs/dbraw/zinc/04/27/05/179042705.db2.gz YBQZAVFUZBXGLF-LSDHHAIUSA-N 1 0 260.381 2.171 10 0 CEAERO Cc1cccc(CCNC(=O)[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000085373935 179042752 /nfs/dbraw/zinc/04/27/52/179042752.db2.gz YBQZAVFUZBXGLF-CABCVRRESA-N 1 0 260.381 2.171 10 0 CEAERO CN(C(=O)[C@H]1CCCC[C@@H]1[NH3+])c1ccccc1F ZINC000085373573 179042763 /nfs/dbraw/zinc/04/27/63/179042763.db2.gz VJKABRHKSGSFME-JQWIXIFHSA-N 1 0 250.317 2.306 10 0 CEAERO CCN(C(=O)[C@@H]1CCC[C@H]1[NH3+])c1cccc(F)c1 ZINC000085373250 179043005 /nfs/dbraw/zinc/04/30/05/179043005.db2.gz KKAYCCZDPBPAFK-CHWSQXEVSA-N 1 0 250.317 2.306 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+][C@@H](C)Cn2ccnc2)C1(C)C ZINC000085384922 179046518 /nfs/dbraw/zinc/04/65/18/179046518.db2.gz FRADEZBLFWEWKE-XQQFMLRXSA-N 1 0 251.374 2.065 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1cccc(N2CCCC2)c1 ZINC000085365730 179036334 /nfs/dbraw/zinc/03/63/34/179036334.db2.gz GSMCWLOXBYRQPE-HUUCEWRRSA-N 1 0 273.380 2.353 10 0 CEAERO CC(C)Oc1ccccc1[C@H](C)NC(=O)[C@H]1CC[NH2+]C1 ZINC000062114176 362707464 /nfs/dbraw/zinc/70/74/64/362707464.db2.gz NOZRZRSBQOLIMB-STQMWFEESA-N 1 0 276.380 2.261 10 0 CEAERO CCCN(Cc1ccc(C)cc1)C(=O)[C@H]1CC[NH2+]C1 ZINC000062114570 362707780 /nfs/dbraw/zinc/70/77/80/362707780.db2.gz GGPVCWCHFWWTJV-HNNXBMFYSA-N 1 0 260.381 2.343 10 0 CEAERO CC(C)[NH2+]C[C@@H](C)c1ccc(Cn2cncn2)cc1 ZINC000097807307 185670165 /nfs/dbraw/zinc/67/01/65/185670165.db2.gz MOWNYCFDNSTPNM-CYBMUJFWSA-N 1 0 258.369 2.428 10 0 CEAERO COc1ccc(CN2CC[NH2+][C@H](C3CC3)C2)cc1F ZINC000085434881 179060958 /nfs/dbraw/zinc/06/09/58/179060958.db2.gz UQOBHJJHUZREHA-AWEZNQCLSA-N 1 0 264.344 2.018 10 0 CEAERO C[C@@H](CS(C)(=O)=O)[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000085434198 179061190 /nfs/dbraw/zinc/06/11/90/179061190.db2.gz JWCYILWYKIBXHO-UWVGGRQHSA-N 1 0 298.433 2.380 10 0 CEAERO C[C@@H]([NH2+]CCc1nnc[nH]1)c1cnc2ccsc2c1 ZINC000085434184 179061283 /nfs/dbraw/zinc/06/12/83/179061283.db2.gz WWBUFFNVQUEHNW-SECBINFHSA-N 1 0 273.365 2.308 10 0 CEAERO CCC(CC)n1ccc(CN2CC[NH2+][C@@H](C)C2)n1 ZINC000085434550 179061402 /nfs/dbraw/zinc/06/14/02/179061402.db2.gz VUGZMNSROGLJHS-LBPRGKRZSA-N 1 0 250.390 2.038 10 0 CEAERO CO[C@H]1CCC[C@H]([N@@H+]2CCNC3(CCCC3)C2)C1 ZINC000085435348 179061690 /nfs/dbraw/zinc/06/16/90/179061690.db2.gz BVIDTPBDVVRLBR-KBPBESRZSA-N 1 0 252.402 2.162 10 0 CEAERO CCn1cc(CN2CC[NH2+]C3(CCCCC3)C2)cn1 ZINC000085435399 179062073 /nfs/dbraw/zinc/06/20/73/179062073.db2.gz SWODQFPXUXXKCU-UHFFFAOYSA-N 1 0 262.401 2.011 10 0 CEAERO CCOc1ccc(-c2ccc(N3CCC[NH2+]CC3)nn2)cc1 ZINC000062203424 362715095 /nfs/dbraw/zinc/71/50/95/362715095.db2.gz XSDCZCDLSQIBCS-UHFFFAOYSA-N 1 0 298.390 2.342 10 0 CEAERO CCC[C@@H]1C[N@H+](CCOC)C2(CCCCC2)CN1 ZINC000085466360 179071946 /nfs/dbraw/zinc/07/19/46/179071946.db2.gz UUOOQVOYBUKENX-CQSZACIVSA-N 1 0 254.418 2.410 10 0 CEAERO CC[C@]1(C)C[NH2+][C@@H](C(C)C)CN1Cc1cnn(C)c1 ZINC000085468096 179073423 /nfs/dbraw/zinc/07/34/23/179073423.db2.gz ZFCFDGOECMOLBM-HUUCEWRRSA-N 1 0 264.417 2.019 10 0 CEAERO [NH3+]C1(COc2ncncc2Br)CCCCC1 ZINC000085468010 179073578 /nfs/dbraw/zinc/07/35/78/179073578.db2.gz ZSGGXSQHVGMFMI-UHFFFAOYSA-N 1 0 286.173 2.280 10 0 CEAERO CCOCCN1C[C@@H](C(C)C)[NH2+]CC12CCCC2 ZINC000085468301 179073596 /nfs/dbraw/zinc/07/35/96/179073596.db2.gz MHRYBSLFZNTZTK-AWEZNQCLSA-N 1 0 254.418 2.266 10 0 CEAERO C[C@@]1(C2CC2)CN(CCCOCC(F)(F)F)CC[NH2+]1 ZINC000085449515 179064683 /nfs/dbraw/zinc/06/46/83/179064683.db2.gz JSIPTECXGGDGGY-LBPRGKRZSA-N 1 0 280.334 2.029 10 0 CEAERO CC(C)CCOCCN1C[C@H](C(C)C)[NH2+]C[C@@H]1C ZINC000085450211 179064946 /nfs/dbraw/zinc/06/49/46/179064946.db2.gz OOWKQHLWHFIMJJ-LSDHHAIUSA-N 1 0 256.434 2.367 10 0 CEAERO Fc1ccc(F)c(CN2CC[NH2+]C[C@@H]2C2CC2)c1 ZINC000085451368 179064959 /nfs/dbraw/zinc/06/49/59/179064959.db2.gz WSZGCTKQXDUIIL-CQSZACIVSA-N 1 0 252.308 2.149 10 0 CEAERO CC(C)(C)[C@@H]1C[NH2+]CCN1CCCOCC(F)(F)F ZINC000085451685 179065990 /nfs/dbraw/zinc/06/59/90/179065990.db2.gz SPQWGDHXJPCDEN-NSHDSACASA-N 1 0 282.350 2.275 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@H](C)CN1CCOCC(F)(F)F ZINC000085453416 179067113 /nfs/dbraw/zinc/06/71/13/179067113.db2.gz UPMMIVJEDGVXOZ-WDEREUQCSA-N 1 0 268.323 2.028 10 0 CEAERO CCC[C@H]1CN(CCOC(C)C)[C@H](C2CC2)C[NH2+]1 ZINC000085455299 179067603 /nfs/dbraw/zinc/06/76/03/179067603.db2.gz IQJHRSHMYPIZSO-GJZGRUSLSA-N 1 0 254.418 2.264 10 0 CEAERO C[C@H]1C[N@H+](C[C@@H]2CCOC2)[C@H](c2ccccc2)CN1 ZINC000085454535 179067737 /nfs/dbraw/zinc/06/77/37/179067737.db2.gz CYUMUYVLRNOYIS-DZKIICNBSA-N 1 0 260.381 2.058 10 0 CEAERO CCC[C@@H]1CN(Cc2cccnc2)[C@H](C2CC2)C[NH2+]1 ZINC000085455346 179068160 /nfs/dbraw/zinc/06/81/60/179068160.db2.gz ZXIUONZQXRALHQ-CVEARBPZSA-N 1 0 259.397 2.434 10 0 CEAERO CC[C@H]1CN[C@](C)(CC)C[N@@H+]1CCCn1ccnc1 ZINC000085494465 179081891 /nfs/dbraw/zinc/08/18/91/179081891.db2.gz TVZQJTGKADJFBP-LSDHHAIUSA-N 1 0 264.417 2.126 10 0 CEAERO CC[C@H](C)[C@@H]1C[NH2+]C(C)(C)CN1Cc1ncccn1 ZINC000085470101 179075300 /nfs/dbraw/zinc/07/53/00/179075300.db2.gz JEPSPIMNPRIRBU-STQMWFEESA-N 1 0 262.401 2.075 10 0 CEAERO CCC[C@H]1CN[C@](C)(C2CC2)C[N@@H+]1CCn1ccnc1C ZINC000085511468 179085277 /nfs/dbraw/zinc/08/52/77/179085277.db2.gz GXIGKLQKPVPWTQ-IRXDYDNUSA-N 1 0 290.455 2.434 10 0 CEAERO C[C@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1cn2ccccc2n1 ZINC000085509636 179085532 /nfs/dbraw/zinc/08/55/32/179085532.db2.gz VWBQNEJCRONINN-SUMWQHHRSA-N 1 0 284.407 2.297 10 0 CEAERO COCC[N@@H+]1C[C@H](c2ccccc2)NC[C@@]1(C)C1CC1 ZINC000085508606 179085699 /nfs/dbraw/zinc/08/56/99/179085699.db2.gz UFHGSXQGQAEYHB-SJORKVTESA-N 1 0 274.408 2.448 10 0 CEAERO C[C@H]1C[NH2+][C@](C)(C2CC2)CN1CCC(F)(F)F ZINC000085509145 179086103 /nfs/dbraw/zinc/08/61/03/179086103.db2.gz KMLMJTDEHSOBHE-ONGXEEELSA-N 1 0 250.308 2.401 10 0 CEAERO COc1cc(C)c(NC(=O)CC[NH2+]C2CC2)cc1C ZINC000098160223 185694828 /nfs/dbraw/zinc/69/48/28/185694828.db2.gz UHOYMJUQKZOIDG-UHFFFAOYSA-N 1 0 262.353 2.393 10 0 CEAERO C[C@]1(C2CC2)C[N@H+](C[C@@H]2CCCO2)[C@H](C2CC2)CN1 ZINC000085513647 179086957 /nfs/dbraw/zinc/08/69/57/179086957.db2.gz AFWHNDDNVPTMOG-HRCADAONSA-N 1 0 264.413 2.018 10 0 CEAERO CCC[C@H]1C[NH2+]C(CC)(CC)CN1CCOCCOC ZINC000085517796 179088181 /nfs/dbraw/zinc/08/81/81/179088181.db2.gz WFHVZHXUEYXLMK-HNNXBMFYSA-N 1 0 286.460 2.282 10 0 CEAERO CC[C@H](C)[C@H]1CN(Cc2cnn(C)c2)C(C)(C)C[NH2+]1 ZINC000085493148 179082316 /nfs/dbraw/zinc/08/23/16/179082316.db2.gz FLRRWCZWIJJNSS-GXTWGEPZSA-N 1 0 264.417 2.019 10 0 CEAERO C[C@@H]1C[NH2+]C2(CCCCC2)CN1C[C@@H]1CCCO1 ZINC000085498857 179083444 /nfs/dbraw/zinc/08/34/44/179083444.db2.gz WPSVYFOORHGBPJ-KGLIPLIRSA-N 1 0 252.402 2.162 10 0 CEAERO CCC1(CC)CN[C@@](C)(CC)C[N@@H+]1[C@@H]1CCOC1 ZINC000085496996 179083744 /nfs/dbraw/zinc/08/37/44/179083744.db2.gz WRNWQLKPLIPWPS-KGLIPLIRSA-N 1 0 254.418 2.408 10 0 CEAERO CC(C)C[C@@H]1C[NH2+][C@@H](C2CC2)CN1Cc1ncccn1 ZINC000085525729 179089327 /nfs/dbraw/zinc/08/93/27/179089327.db2.gz RYNQQJWFIHEMRQ-HUUCEWRRSA-N 1 0 274.412 2.075 10 0 CEAERO CC(C)C[C@H]1CN[C@@H](C2CC2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085525785 179089988 /nfs/dbraw/zinc/08/99/88/179089988.db2.gz BLLNQNXGRUXYRA-HRCADAONSA-N 1 0 266.429 2.264 10 0 CEAERO CC[C@]1(C)C[NH2+][C@@H](C2CC2)CN1Cc1ccccn1 ZINC000085528420 179090291 /nfs/dbraw/zinc/09/02/91/179090291.db2.gz ICJAQLOHMZJNSK-HZPDHXFCSA-N 1 0 259.397 2.434 10 0 CEAERO c1cn(CCCCn2c3c(nc2C2CC2)C[NH2+]CC3)cn1 ZINC000085573039 179097989 /nfs/dbraw/zinc/09/79/89/179097989.db2.gz BMLVUUWCXZTSEW-UHFFFAOYSA-N 1 0 285.395 2.083 10 0 CEAERO CCC1(CC)CN[C@H](C2CC2)C[N@@H+]1CCn1ccnc1C ZINC000085528838 179090874 /nfs/dbraw/zinc/09/08/74/179090874.db2.gz KLUWOXAHOMBYGG-INIZCTEOSA-N 1 0 290.455 2.434 10 0 CEAERO C[C@H]1C[NH2+][C@@H](C2CCCCC2)CN1Cc1ncccn1 ZINC000085529657 179091474 /nfs/dbraw/zinc/09/14/74/179091474.db2.gz CRKUUADVQUQASM-DZGCQCFKSA-N 1 0 274.412 2.219 10 0 CEAERO C[C@@H]1CN[C@@](C)(c2ccccc2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085531797 179091490 /nfs/dbraw/zinc/09/14/90/179091490.db2.gz DKYVOTKKDLCDIM-HLLBOEOZSA-N 1 0 274.408 2.232 10 0 CEAERO C[C@@]1(C2CC2)C[NH2+][C@H](C2CC2)CN1Cc1ccccn1 ZINC000085529417 179091536 /nfs/dbraw/zinc/09/15/36/179091536.db2.gz PLATZXWUGTVSIE-IRXDYDNUSA-N 1 0 271.408 2.434 10 0 CEAERO CSCc1noc(-c2csc([C@@H](C)[NH3+])n2)n1 ZINC000085546998 179092922 /nfs/dbraw/zinc/09/29/22/179092922.db2.gz DMYBFDBIZPYNQX-RXMQYKEDSA-N 1 0 256.356 2.076 10 0 CEAERO CC(C)Oc1cc(N[C@H](C)CCCC[NH3+])ncn1 ZINC000336792480 365813227 /nfs/dbraw/zinc/81/32/27/365813227.db2.gz SHBRTNNTPADMQV-LLVKDONJSA-N 1 0 252.362 2.193 10 0 CEAERO COCCCCn1c2c(nc1C(C)(C)C)C[NH2+]CC2 ZINC000085572739 179096887 /nfs/dbraw/zinc/09/68/87/179096887.db2.gz DRNKGNFXJZURAW-UHFFFAOYSA-N 1 0 265.401 2.253 10 0 CEAERO C[C@H]1CCN[C@@H](C(C)(C)C)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085624691 179106653 /nfs/dbraw/zinc/10/66/53/179106653.db2.gz YFOFXWRBNIHCCA-MELADBBJSA-N 1 0 254.418 2.121 10 0 CEAERO CCCc1nc2c(n1[C@@H](CC)COC)CC[NH2+]C2 ZINC000085574811 179099077 /nfs/dbraw/zinc/09/90/77/179099077.db2.gz FUDJPGSWDNAMDV-NSHDSACASA-N 1 0 251.374 2.079 10 0 CEAERO CCC[C@H](COC)n1c2c(nc1C1CC1)C[NH2+]CC2 ZINC000085574714 179099556 /nfs/dbraw/zinc/09/95/56/179099556.db2.gz KPJBQTUIAUZAPM-GFCCVEGCSA-N 1 0 263.385 2.394 10 0 CEAERO c1cnn(CCn2c3c(nc2C2CCCC2)C[NH2+]CC3)c1 ZINC000085607231 179101077 /nfs/dbraw/zinc/10/10/77/179101077.db2.gz HVGLZNQRJNPCHG-UHFFFAOYSA-N 1 0 285.395 2.083 10 0 CEAERO CC[C@@H]1CN(Cc2ccc(OC)c(F)c2)CCC[NH2+]1 ZINC000085614845 179103621 /nfs/dbraw/zinc/10/36/21/179103621.db2.gz ZRSBQFLXICFRHG-CYBMUJFWSA-N 1 0 266.360 2.408 10 0 CEAERO CC(C)[C@@H]1C[N@H+](CC2CCOCC2)[C@@H](C)CCN1 ZINC000085618519 179104365 /nfs/dbraw/zinc/10/43/65/179104365.db2.gz ISJJGZNOKUUMNZ-ZFWWWQNUSA-N 1 0 254.418 2.121 10 0 CEAERO Cn1cc(CN2CCC[NH2+][C@](C)(c3ccccc3)C2)cn1 ZINC000085615835 179104479 /nfs/dbraw/zinc/10/44/79/179104479.db2.gz OGYVSVXRIUIECD-KRWDZBQOSA-N 1 0 284.407 2.131 10 0 CEAERO C[C@H]1CC[NH2+][C@](C)(C2CC2)CN1CCOCC(F)(F)F ZINC000085623550 179105316 /nfs/dbraw/zinc/10/53/16/179105316.db2.gz HPAURNDOPBTQNW-AAEUAGOBSA-N 1 0 294.361 2.418 10 0 CEAERO C[C@@H]1CC[NH2+][C@H](c2ccccc2)CN1Cc1cnn(C)c1 ZINC000085621602 179105514 /nfs/dbraw/zinc/10/55/14/179105514.db2.gz VPAXWWWYBPROPD-PBHICJAKSA-N 1 0 284.407 2.345 10 0 CEAERO C[C@H]1CC[NH2+]CCN1Cc1ccc2ncccc2c1 ZINC000085622334 179106115 /nfs/dbraw/zinc/10/61/15/179106115.db2.gz XWEUQNAETMKDHU-ZDUSSCGKSA-N 1 0 255.365 2.419 10 0 CEAERO C[C@@H]([NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)[C@@H]1CCCO1 ZINC000085671795 179111269 /nfs/dbraw/zinc/11/12/69/179111269.db2.gz BYAVIKCTTYORPS-HTOAHKCRSA-N 1 0 253.386 2.347 10 0 CEAERO CCN(CC)C(=O)CC[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000085674488 179111741 /nfs/dbraw/zinc/11/17/41/179111741.db2.gz AZMOLUOCRILPIY-YUELXQCFSA-N 1 0 282.428 2.038 10 0 CEAERO CCO[C@H]1C[C@H]([NH2+][C@@H](C)CN2CCOCC2)C12CCCC2 ZINC000085679345 179113358 /nfs/dbraw/zinc/11/33/58/179113358.db2.gz XFJMCCUXODCMJD-JYJNAYRXSA-N 1 0 296.455 2.035 10 0 CEAERO [NH3+]Cc1cncc(Oc2ccc(Br)cc2)n1 ZINC000085695083 179115690 /nfs/dbraw/zinc/11/56/90/179115690.db2.gz UPHTWMSMWDAEFT-UHFFFAOYSA-N 1 0 280.125 2.490 10 0 CEAERO CCc1nn(C)c(C[C@]2(C)CCC[NH2+]2)c1Br ZINC000085697911 179115955 /nfs/dbraw/zinc/11/59/55/179115955.db2.gz NGXCVFYVIPNXAP-LBPRGKRZSA-N 1 0 286.217 2.430 10 0 CEAERO CN(C)c1cc[nH+]cc1N[C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085632084 179108450 /nfs/dbraw/zinc/10/84/50/179108450.db2.gz FBFQGZZIBKNDMY-BPNCWPANSA-N 1 0 261.369 2.373 10 0 CEAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085635109 179109299 /nfs/dbraw/zinc/10/92/99/179109299.db2.gz GAZGCZJUZIMFOE-QPSCCSFWSA-N 1 0 268.445 2.366 10 0 CEAERO c1cncc(CC[N@@H+]2CC[C@H](Oc3cccnc3)C2)c1 ZINC000178039181 542248829 /nfs/dbraw/zinc/24/88/29/542248829.db2.gz ZXHKPYHTKWWSSP-INIZCTEOSA-N 1 0 269.348 2.172 10 0 CEAERO Cc1cc([C@@H]2COC(=[NH2+])N2)ccc1Br ZINC000085708987 179123512 /nfs/dbraw/zinc/12/35/12/179123512.db2.gz VSXQGLWRUGQUEZ-VIFPVBQESA-N 1 0 255.115 2.144 10 0 CEAERO Cc1cc(C[C@@H](C)[NH3+])ccc1N1C[C@H](C)O[C@@H](C)C1 ZINC000111487503 136562622 /nfs/dbraw/zinc/56/26/22/136562622.db2.gz GLZFGOBSHKITGF-RDBSUJKOSA-N 1 0 262.397 2.498 10 0 CEAERO CC[NH2+][C@@H](C)[C@H]1CCCCN1c1cccc(OC)n1 ZINC000111718057 136564146 /nfs/dbraw/zinc/56/41/46/136564146.db2.gz FHQVNBCWUICEIZ-QWHCGFSZSA-N 1 0 263.385 2.447 10 0 CEAERO CCCc1cc(N2CCC([C@@H](C)[NH2+]C)CC2)ncn1 ZINC000111717061 136564149 /nfs/dbraw/zinc/56/41/49/136564149.db2.gz XNPHEPDFAAGHRX-GFCCVEGCSA-N 1 0 262.401 2.253 10 0 CEAERO Cc1nc(NC(=O)[C@@H]([NH3+])C(C)C)ccc1Br ZINC000085729073 179132134 /nfs/dbraw/zinc/13/21/34/179132134.db2.gz AXVQDAFPIYMLQB-JTQLQIEISA-N 1 0 286.173 2.074 10 0 CEAERO Cc1cc(C)cc(OCCCN2CC[C@@H]([NH3+])[C@@H]2C)c1 ZINC000336808581 365845024 /nfs/dbraw/zinc/84/50/24/365845024.db2.gz CJEJFIZRLQPHQS-GOEBONIOSA-N 1 0 262.397 2.494 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@](C)(CC)c1nccs1 ZINC000236930127 370657219 /nfs/dbraw/zinc/65/72/19/370657219.db2.gz OMMPQGDUHSSAMU-JOYOIKCWSA-N 1 0 255.387 2.012 10 0 CEAERO Cc1ccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)o1 ZINC000128462440 187372432 /nfs/dbraw/zinc/37/24/32/187372432.db2.gz ZZDZEFLOWFKJJW-CYBMUJFWSA-N 1 0 260.341 2.092 10 0 CEAERO CC[C@@H](NC(=O)[C@@]1([NH3+])CCOC1)c1ccc(Cl)cc1 ZINC000085871387 179193160 /nfs/dbraw/zinc/19/31/60/179193160.db2.gz LEPAVROSYYXSEN-TZMCWYRMSA-N 1 0 282.771 2.025 10 0 CEAERO COc1cc(C(=O)NC[C@H]2CCCC[C@@H]2[NH3+])ccc1C ZINC000085965087 179205268 /nfs/dbraw/zinc/20/52/68/179205268.db2.gz VJMNLYGMVSEMTB-KGLIPLIRSA-N 1 0 276.380 2.251 10 0 CEAERO CCOc1ccccc1C(=O)NC[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085964947 179205448 /nfs/dbraw/zinc/20/54/48/179205448.db2.gz YBGSBQFXLGQIBZ-JSGCOSHPSA-N 1 0 276.380 2.333 10 0 CEAERO Cc1cc(C(=O)NC[C@@H]2CCCC[C@H]2[NH3+])ccc1F ZINC000085964850 179205639 /nfs/dbraw/zinc/20/56/39/179205639.db2.gz MZVNMAMDHFLVPY-GXTWGEPZSA-N 1 0 264.344 2.381 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1CNC(=O)Nc1cccc(F)c1 ZINC000085970200 179206619 /nfs/dbraw/zinc/20/66/19/179206619.db2.gz FWUBDKPELBIETG-ZWNOBZJWSA-N 1 0 265.332 2.465 10 0 CEAERO C[C@@H]([NH3+])[C@@H](CO)Oc1ccc(-c2ccccc2)cc1 ZINC000085919588 179199756 /nfs/dbraw/zinc/19/97/56/179199756.db2.gz ILMRGPFJQDHTJY-MLGOLLRUSA-N 1 0 257.333 2.441 10 0 CEAERO CCC[NH2+][C@@H](CCO)CN1CCC(CCC)CC1 ZINC000085922637 179201499 /nfs/dbraw/zinc/20/14/99/179201499.db2.gz WMUOPYQKMJJEKA-HNNXBMFYSA-N 1 0 256.434 2.249 10 0 CEAERO CC[NH2+][C@H](CCO)CSc1nc2ccccc2[nH]1 ZINC000085928512 179202831 /nfs/dbraw/zinc/20/28/31/179202831.db2.gz UHPKKILAACHVAG-SNVBAGLBSA-N 1 0 265.382 2.016 10 0 CEAERO CC[NH2+][C@H](CCO)CSc1ncnc2ccccc21 ZINC000085929150 179202839 /nfs/dbraw/zinc/20/28/39/179202839.db2.gz YJHVWJHMFMVJCP-LLVKDONJSA-N 1 0 277.393 2.082 10 0 CEAERO Cc1nc(Cc2nc(C)c(CC[NH3+])s2)cs1 ZINC000085955742 179203539 /nfs/dbraw/zinc/20/35/39/179203539.db2.gz BMZMRTAXUMJHJD-UHFFFAOYSA-N 1 0 253.396 2.308 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)C(C2CC2)C2CC2)C1 ZINC000065381667 362813801 /nfs/dbraw/zinc/81/38/01/362813801.db2.gz ITMXFKLYMZVBLJ-AWEZNQCLSA-N 1 0 279.428 2.301 10 0 CEAERO CC[NH2+][C@H]1CC[C@H](Sc2nccc(=O)[nH]2)[C@@H]1C ZINC000086043756 179222902 /nfs/dbraw/zinc/22/29/02/179222902.db2.gz QZNJDBQKGIGNEV-UTLUCORTSA-N 1 0 253.371 2.051 10 0 CEAERO CC(C)[C@@H]([NH3+])CCN(C)c1ccc(OC(F)F)cn1 ZINC000327482403 201939843 /nfs/dbraw/zinc/93/98/43/201939843.db2.gz LWWYSWLOGWHHHA-NSHDSACASA-N 1 0 273.327 2.493 10 0 CEAERO C[C@@H]1CC[C@H](NC(=O)Cc2ccc(C[NH3+])cc2)[C@@H]1C ZINC000086068853 179224298 /nfs/dbraw/zinc/22/42/98/179224298.db2.gz LOGHDZZINVZWAR-JMSVASOKSA-N 1 0 260.381 2.239 10 0 CEAERO C[C@@H]1[C@@H](C)CC[C@@H]1[NH2+]CC(=O)NCc1ccccc1 ZINC000086076223 179225804 /nfs/dbraw/zinc/22/58/04/179225804.db2.gz LOTWTCQJUWZXOR-GUTXKFCHSA-N 1 0 260.381 2.327 10 0 CEAERO C[C@@H]1CC[C@@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)[C@@H]1C ZINC000086075563 179226016 /nfs/dbraw/zinc/22/60/16/179226016.db2.gz YGRIWPYMIZZYMG-JEWKUQAESA-N 1 0 264.413 2.458 10 0 CEAERO Cc1cc([C@H]([NH3+])[C@H]2CCS(=O)(=O)C2)c(C)cc1Cl ZINC000086023053 179219101 /nfs/dbraw/zinc/21/91/01/179219101.db2.gz LWECSSASPYOUMF-GXFFZTMASA-N 1 0 287.812 2.391 10 0 CEAERO CC[NH2+][C@H](Cc1cc(C)ccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000086026871 179220066 /nfs/dbraw/zinc/22/00/66/179220066.db2.gz AGJALYXKQJRYLH-GDBMZVCRSA-N 1 0 295.448 2.259 10 0 CEAERO C[NH2+][C@H]1CC[C@H](S(=O)(=O)c2ccc3c(c2)CCC3)[C@@H]1C ZINC000086040969 179222208 /nfs/dbraw/zinc/22/22/08/179222208.db2.gz PZSROOXMPYLSIN-RLCCDNCMSA-N 1 0 293.432 2.336 10 0 CEAERO CC[C@H]1CC[C@@H](NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)[C@@H]1C ZINC000086094726 179229696 /nfs/dbraw/zinc/22/96/96/179229696.db2.gz ZQECPIFGWYDRLV-SHPPOPEUSA-N 1 0 290.407 2.203 10 0 CEAERO C[C@@H]([C@H]1CCCO1)N1CC[NH2+]C2(CCCCC2)C1 ZINC000086127748 179235744 /nfs/dbraw/zinc/23/57/44/179235744.db2.gz PPXDXKXLCUIRFQ-UONOGXRCSA-N 1 0 252.402 2.162 10 0 CEAERO Cc1cc(CN2CC[NH2+][C@@](C)(c3ccccc3)C2)on1 ZINC000086146364 179238265 /nfs/dbraw/zinc/23/82/65/179238265.db2.gz HLSTUTCJSYZOPH-MRXNPFEDSA-N 1 0 271.364 2.304 10 0 CEAERO C[C@@H]1CC[C@@H](NC(=O)CC2CCC([NH3+])CC2)[C@@H]1C ZINC000086082262 179228364 /nfs/dbraw/zinc/22/83/64/179228364.db2.gz DZXUFRAUCHROCY-KPHYFBGPSA-N 1 0 252.402 2.445 10 0 CEAERO CC[C@@H]1CC[C@H](NC(=O)C[NH2+]C2CCCC2)[C@@H]1C ZINC000086093872 179228772 /nfs/dbraw/zinc/22/87/72/179228772.db2.gz WXLYDDHAIQWXTH-BZPMIXESSA-N 1 0 252.402 2.460 10 0 CEAERO CC[C@H]1CC[C@H](NC(=O)[C@@H]2CCCCC[NH2+]2)[C@@H]1C ZINC000086093932 179229085 /nfs/dbraw/zinc/22/90/85/179229085.db2.gz WZFJHULKNAQDBO-RFGFWPKPSA-N 1 0 252.402 2.460 10 0 CEAERO Cc1cccnc1CN1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC000086149197 179240550 /nfs/dbraw/zinc/24/05/50/179240550.db2.gz IPKZLVDGIDOLFF-KRWDZBQOSA-N 1 0 281.403 2.407 10 0 CEAERO C1CCC([C@H]2CN([C@@H]3CCCOC3)CC[NH2+]2)CC1 ZINC000086149309 179240636 /nfs/dbraw/zinc/24/06/36/179240636.db2.gz OQGRMBHYYILUDN-HUUCEWRRSA-N 1 0 252.402 2.020 10 0 CEAERO c1nc(CN2CC[NH2+][C@H](c3ccccc3)C2)cs1 ZINC000086149440 179240770 /nfs/dbraw/zinc/24/07/70/179240770.db2.gz QCMIRXNTOOPSAV-AWEZNQCLSA-N 1 0 259.378 2.290 10 0 CEAERO CC[C@@H](c1nccs1)N1CC[NH2+][C@H](C2CC2)C1 ZINC000086150518 179240903 /nfs/dbraw/zinc/24/09/03/179240903.db2.gz LAHABARDOFLOJY-RYUDHWBXSA-N 1 0 251.399 2.278 10 0 CEAERO CC(C)[C@@H]1C[N@H+](C[C@@H]2CCCOC2)[C@@H](C(C)C)CN1 ZINC000086174004 179244563 /nfs/dbraw/zinc/24/45/63/179244563.db2.gz WDYXSBINXFNQIK-HRCADAONSA-N 1 0 268.445 2.367 10 0 CEAERO Cc1cc(CN2C[C@@H](C(C)C)[NH2+]C[C@@H]2C(C)C)no1 ZINC000086173910 179244678 /nfs/dbraw/zinc/24/46/78/179244678.db2.gz HILOFKINMREBNY-LSDHHAIUSA-N 1 0 265.401 2.437 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@@H](C)CN1c1cnn(C(C)C)c1 ZINC000086175119 179245772 /nfs/dbraw/zinc/24/57/72/179245772.db2.gz ARGHRVZHSIIEJX-JSGCOSHPSA-N 1 0 250.390 2.287 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@@H](C)CN1CCc1cscn1 ZINC000086175809 179245783 /nfs/dbraw/zinc/24/57/83/179245783.db2.gz RYBSPPUSTUDYMJ-AAEUAGOBSA-N 1 0 253.415 2.004 10 0 CEAERO CC[C@H]1C[NH2+]CCN1CCc1cc(F)cc(F)c1 ZINC000086177712 179247150 /nfs/dbraw/zinc/24/71/50/179247150.db2.gz RXDNAEKUVKVYKT-AWEZNQCLSA-N 1 0 254.324 2.191 10 0 CEAERO CCC1(CC)CN(C[C@H]2Cc3ccccc3O2)CC[NH2+]1 ZINC000086147003 179239865 /nfs/dbraw/zinc/23/98/65/179239865.db2.gz ITGWUVMJLBCAAR-OAHLLOKOSA-N 1 0 274.408 2.454 10 0 CEAERO CCC[C@@H]1CN(c2cnn(C)c2)[C@H](C(C)C)C[NH2+]1 ZINC000086218376 179249543 /nfs/dbraw/zinc/24/95/43/179249543.db2.gz SVZLQHSSJBEWCM-OCCSQVGLSA-N 1 0 250.390 2.023 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C2CC2)CN1CCc1cccnc1 ZINC000086223233 179251834 /nfs/dbraw/zinc/25/18/34/179251834.db2.gz KCWSFTHLYBJERE-JKSUJKDBSA-N 1 0 259.397 2.087 10 0 CEAERO CC[C@H]1C[NH2+][C@](C)(C2CC2)CN1CCc1cccnc1 ZINC000086223197 179252257 /nfs/dbraw/zinc/25/22/57/179252257.db2.gz YQTLZEQNJQULJU-IRXDYDNUSA-N 1 0 273.424 2.477 10 0 CEAERO C[NH2+]C[C@@H]1CCCCN1c1nc(Br)cs1 ZINC000086290732 179265396 /nfs/dbraw/zinc/26/53/96/179265396.db2.gz UAKWRCAYLUEBBK-QMMMGPOBSA-N 1 0 290.230 2.484 10 0 CEAERO CC[C@@H]1C[NH2+]C2(CCCC2)CN1Cc1ccnc(C)n1 ZINC000086260227 179259463 /nfs/dbraw/zinc/25/94/63/179259463.db2.gz YCPCDWUMJMVKSC-OAHLLOKOSA-N 1 0 274.412 2.282 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C2CC2)CN1Cc1cccc(C)n1 ZINC000086261750 179259986 /nfs/dbraw/zinc/25/99/86/179259986.db2.gz RGQQUDPUUASEHU-JKSUJKDBSA-N 1 0 259.397 2.352 10 0 CEAERO Cc1csc(CCN2CC(C)(C)[NH2+]C[C@@H]2C)n1 ZINC000086264259 179260814 /nfs/dbraw/zinc/26/08/14/179260814.db2.gz JWYGEWLLSNJJPO-NSHDSACASA-N 1 0 253.415 2.066 10 0 CEAERO CC(C)C[C@H]1CN(CCc2nccs2)[C@@H](C)C[NH2+]1 ZINC000086264334 179260987 /nfs/dbraw/zinc/26/09/87/179260987.db2.gz HDSCGGLDZGBRRJ-STQMWFEESA-N 1 0 267.442 2.394 10 0 CEAERO CC[C@H]1CN(Cc2nccn2C)[C@H](c2ccccc2)C[NH2+]1 ZINC000086264894 179261072 /nfs/dbraw/zinc/26/10/72/179261072.db2.gz DRHJSAZQEGICJG-HOTGVXAUSA-N 1 0 284.407 2.345 10 0 CEAERO Cc1ccc(CN2CC3(CCCC3)[NH2+]C[C@@H]2C)cn1 ZINC000086263781 179261098 /nfs/dbraw/zinc/26/10/98/179261098.db2.gz ICGSCNTVDUXHHT-AWEZNQCLSA-N 1 0 259.397 2.497 10 0 CEAERO CC[C@@H]1C[NH2+]C(C)(C)CN1CCOC1CCCC1 ZINC000086265721 179261665 /nfs/dbraw/zinc/26/16/65/179261665.db2.gz HDDLJQFLYIFGFX-CYBMUJFWSA-N 1 0 254.418 2.408 10 0 CEAERO C[C@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1cscn1 ZINC000086265428 179262010 /nfs/dbraw/zinc/26/20/10/179262010.db2.gz XPDBKTIAFGPYKU-GWCFXTLKSA-N 1 0 251.399 2.106 10 0 CEAERO C[C@@H]1C[NH2+][C@](C)(C2CC2)CN1CCc1cscn1 ZINC000086265543 179262176 /nfs/dbraw/zinc/26/21/76/179262176.db2.gz SWKGHSSMUXNGIF-RISCZKNCSA-N 1 0 265.426 2.148 10 0 CEAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccccc1Br ZINC000086270607 179262406 /nfs/dbraw/zinc/26/24/06/179262406.db2.gz MELXDHWYDMHLHJ-IUCAKERBSA-N 1 0 283.169 2.386 10 0 CEAERO CCC[C@H](COC)[N@@H+]1C[C@@](C)(C2CC2)NC[C@@H]1C ZINC000086267542 179262489 /nfs/dbraw/zinc/26/24/89/179262489.db2.gz QHULNFGSKLXZQH-CFVMTHIKSA-N 1 0 254.418 2.264 10 0 CEAERO CC(C)c1nc(N2CCSCC2)sc1C[NH3+] ZINC000086277407 179263125 /nfs/dbraw/zinc/26/31/25/179263125.db2.gz DICBUQMUXZFZKT-UHFFFAOYSA-N 1 0 257.428 2.278 10 0 CEAERO CCn1cc(N2CCC[NH2+][C@H](Cc3ccccc3)C2)cn1 ZINC000086287180 179264264 /nfs/dbraw/zinc/26/42/64/179264264.db2.gz HIWDBVISQZKZOK-MRXNPFEDSA-N 1 0 284.407 2.314 10 0 CEAERO Brc1csc(NC[C@H]2CCC[NH2+]2)n1 ZINC000086290690 179265283 /nfs/dbraw/zinc/26/52/83/179265283.db2.gz LWPIESGZUYGHMM-ZCFIWIBFSA-N 1 0 262.176 2.070 10 0 CEAERO COC(OC)[C@@H](C)[NH2+]Cc1ccc2ccccc2n1 ZINC000086317746 179270322 /nfs/dbraw/zinc/27/03/22/179270322.db2.gz HDQYNMAUENJOKR-LLVKDONJSA-N 1 0 260.337 2.332 10 0 CEAERO CCC1(CC)CN(Cc2cnc(C)cn2)CCC[NH2+]1 ZINC000086295536 179267609 /nfs/dbraw/zinc/26/76/09/179267609.db2.gz BBXALOBTSIPLLA-UHFFFAOYSA-N 1 0 262.401 2.139 10 0 CEAERO C[NH2+]Cc1ccccc1NC(=O)c1ccncc1F ZINC000086316720 179269631 /nfs/dbraw/zinc/26/96/31/179269631.db2.gz DRNKPELDAWENBR-UHFFFAOYSA-N 1 0 259.284 2.192 10 0 CEAERO CCn1c(C)nnc1C[N@@H+]1CCCCC[C@@H]1C[C@@H](C)O ZINC000336841608 365914584 /nfs/dbraw/zinc/91/45/84/365914584.db2.gz SDGRVNSATXCPOX-TZMCWYRMSA-N 1 0 280.416 2.122 10 0 CEAERO [NH3+][C@@H]1CCCc2sc(N3CCO[C@@H]4CCC[C@@H]43)nc21 ZINC000086443326 179293637 /nfs/dbraw/zinc/29/36/37/179293637.db2.gz ZSPHJMDQHKAZOJ-OUAUKWLOSA-N 1 0 279.409 2.237 10 0 CEAERO [NH3+]Cc1c[nH]nc1-c1sccc1Br ZINC000086442616 179293703 /nfs/dbraw/zinc/29/37/03/179293703.db2.gz JGZDJPRNQOZRIZ-UHFFFAOYSA-N 1 0 258.144 2.359 10 0 CEAERO CCN(CCOC)c1nc2c(s1)CCC[C@@H]2[NH2+]C ZINC000086443705 179293906 /nfs/dbraw/zinc/29/39/06/179293906.db2.gz MQJNSTSIYWSESO-JTQLQIEISA-N 1 0 269.414 2.213 10 0 CEAERO CC[C@@H]1CN(C(=O)c2ccc(Cl)cn2)[C@@H](CC)C[NH2+]1 ZINC000086446646 179294551 /nfs/dbraw/zinc/29/45/51/179294551.db2.gz MFCBFOYJUCFBGY-NEPJUHHUSA-N 1 0 281.787 2.338 10 0 CEAERO CC[C@@H]1CN(C(=O)c2cccc(OC)c2)[C@H](CC)C[NH2+]1 ZINC000086447282 179295827 /nfs/dbraw/zinc/29/58/27/179295827.db2.gz IJIQFDGLZUODKP-ZIAGYGMSSA-N 1 0 276.380 2.298 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)c1ccc(Cl)cn1 ZINC000086446648 179294971 /nfs/dbraw/zinc/29/49/71/179294971.db2.gz MFCBFOYJUCFBGY-NWDGAFQWSA-N 1 0 281.787 2.338 10 0 CEAERO CC[C@@H]1CN([C@@H]2COc3cc(O)ccc32)[C@@H](CC)C[NH2+]1 ZINC000086445321 179294976 /nfs/dbraw/zinc/29/49/76/179294976.db2.gz FMOCLBKZKXQXOT-TYNCELHUSA-N 1 0 276.380 2.288 10 0 CEAERO CN(CC1CCOCC1)c1nc2c(s1)CCC[C@@H]2[NH3+] ZINC000086444214 179295027 /nfs/dbraw/zinc/29/50/27/179295027.db2.gz UNTMRZROTWICNB-NSHDSACASA-N 1 0 281.425 2.342 10 0 CEAERO CC[C@@H]1CN(C(=O)Cc2ccsc2)[C@H](CC)C[NH2+]1 ZINC000086448211 179295521 /nfs/dbraw/zinc/29/55/21/179295521.db2.gz WRFZKKXPBJERCS-CHWSQXEVSA-N 1 0 266.410 2.280 10 0 CEAERO CCCN(CC[NH+](C)C)c1nc2c(s1)CCCC2=O ZINC000086441608 179293124 /nfs/dbraw/zinc/29/31/24/179293124.db2.gz SRCXMHXMIZCBMG-UHFFFAOYSA-N 1 0 281.425 2.440 10 0 CEAERO Nc1ccc(Cl)cc1SC[C@@H]1C[NH2+]CCO1 ZINC000086479815 179300268 /nfs/dbraw/zinc/30/02/68/179300268.db2.gz HBGKUTLKQOFGAR-VIFPVBQESA-N 1 0 258.774 2.003 10 0 CEAERO Cn1ccnc1C[C@@H]([NH3+])c1cccc(Br)c1 ZINC000086486090 179301806 /nfs/dbraw/zinc/30/18/06/179301806.db2.gz UYINUMHHTIZLEO-LLVKDONJSA-N 1 0 280.169 2.425 10 0 CEAERO CC[NH2+][C@@H](Cc1cnn(C)c1)[C@H]1Cc2ccccc21 ZINC000086489554 179302519 /nfs/dbraw/zinc/30/25/19/179302519.db2.gz BUFJINHTCYRRNL-HOTGVXAUSA-N 1 0 255.365 2.281 10 0 CEAERO C[NH2+][C@@H](Cc1cnccc1N)[C@H]1Cc2ccccc21 ZINC000086488958 179302607 /nfs/dbraw/zinc/30/26/07/179302607.db2.gz GHKRXBXVWRKJHS-HOCLYGCPSA-N 1 0 253.349 2.134 10 0 CEAERO CN1C(=[NH2+])NC[C@@]1(C)c1cc(Cl)ccc1Cl ZINC000086458714 179296239 /nfs/dbraw/zinc/29/62/39/179296239.db2.gz WYOAOCKMHASLST-NSHDSACASA-N 1 0 258.152 2.469 10 0 CEAERO CC[C@@H]1CN(Cc2csc(NC(C)=O)n2)[C@@H](CC)C[NH2+]1 ZINC000086464077 179296257 /nfs/dbraw/zinc/29/62/57/179296257.db2.gz NPSWXSBZMDCSNL-YPMHNXCESA-N 1 0 296.440 2.064 10 0 CEAERO CC[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)[C@@H](CC)C[NH2+]1 ZINC000086463480 179296425 /nfs/dbraw/zinc/29/64/25/179296425.db2.gz LUJHEMRZRGRVGR-KBPBESRZSA-N 1 0 296.436 2.146 10 0 CEAERO CC[C@H]1CN(Cc2noc(C(C)(C)C)n2)[C@@H](CC)C[NH2+]1 ZINC000086465223 179297342 /nfs/dbraw/zinc/29/73/42/179297342.db2.gz JJITWFNKNDILIU-RYUDHWBXSA-N 1 0 280.416 2.330 10 0 CEAERO CSc1ccccc1NC(=O)CN1C[C@H](C)[NH2+]C[C@@H]1C ZINC000086469930 179299998 /nfs/dbraw/zinc/29/99/98/179299998.db2.gz SALJWSKQPNIOKK-RYUDHWBXSA-N 1 0 293.436 2.029 10 0 CEAERO CC(C)(C)c1ccc(C[C@@H]([NH3+])[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000086566320 179307734 /nfs/dbraw/zinc/30/77/34/179307734.db2.gz RCSKPSMFGZPWSJ-UKRRQHHQSA-N 1 0 295.448 2.289 10 0 CEAERO COc1ccc(Br)c(C[C@@H]([NH3+])[C@@H](C)OC)c1 ZINC000086576225 179308399 /nfs/dbraw/zinc/30/83/99/179308399.db2.gz QXKBWEPLVVOPKX-PRHODGIISA-N 1 0 288.185 2.362 10 0 CEAERO COc1ccc(Br)cc1C[C@H]([NH3+])[C@@H](C)OC ZINC000086576326 179308684 /nfs/dbraw/zinc/30/86/84/179308684.db2.gz DDSCDZGXLGAJEV-KCJUWKMLSA-N 1 0 288.185 2.362 10 0 CEAERO COc1ccc([C@H]2[C@H]([NH3+])CCCC(=O)N2C)cc1Cl ZINC000086585066 179309805 /nfs/dbraw/zinc/30/98/05/179309805.db2.gz GIBIHBBGHIHKQP-RISCZKNCSA-N 1 0 282.771 2.359 10 0 CEAERO C[C@H]([NH3+])c1nc2cc(F)c(Br)cc2[nH]1 ZINC000086598543 179310990 /nfs/dbraw/zinc/31/09/90/179310990.db2.gz DPGFGPUHZNIOJG-BYPYZUCNSA-N 1 0 258.094 2.484 10 0 CEAERO C[C@H](CO)C[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000086629273 179313447 /nfs/dbraw/zinc/31/34/47/179313447.db2.gz NIFTVVQZNAGQGR-STQMWFEESA-N 1 0 259.353 2.151 10 0 CEAERO COC[C@H]([NH2+]Cc1c(OC)nc2sccn12)C(C)C ZINC000086696359 179320941 /nfs/dbraw/zinc/32/09/41/179320941.db2.gz VISICIDXMPJNQZ-JTQLQIEISA-N 1 0 283.397 2.165 10 0 CEAERO CCC(CC)(CC)NS(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000086645551 179316538 /nfs/dbraw/zinc/31/65/38/179316538.db2.gz UPCWUSCYLYWCCW-ZDUSSCGKSA-N 1 0 290.473 2.407 10 0 CEAERO CCC[NH+]1CCC(O)([C@@H]2Cc3ccccc3N2)CC1 ZINC000086648485 179316706 /nfs/dbraw/zinc/31/67/06/179316706.db2.gz DVWQYZHGPJSNSH-HNNXBMFYSA-N 1 0 260.381 2.260 10 0 CEAERO CS(=O)(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCOc2ccccc21 ZINC000086673707 179317697 /nfs/dbraw/zinc/31/76/97/179317697.db2.gz NUPDINPUXJREFE-VNHYZAJKSA-N 1 0 295.404 2.066 10 0 CEAERO CS(=O)(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000086675830 179318829 /nfs/dbraw/zinc/31/88/29/179318829.db2.gz PFZUYJJJAYLFRJ-BZUAXINKSA-N 1 0 293.432 2.099 10 0 CEAERO CC1CCC(C[NH2+][C@@H]2CCC[C@@H]2S(C)(=O)=O)CC1 ZINC000086676034 179319608 /nfs/dbraw/zinc/31/96/08/179319608.db2.gz PKDFQGPHXFXTCH-PQAZSJQKSA-N 1 0 273.442 2.368 10 0 CEAERO [NH3+]Cc1nccn1Cc1cc(F)cc(Br)c1 ZINC000086695381 179320416 /nfs/dbraw/zinc/32/04/16/179320416.db2.gz NLAMBHILYUNPBH-UHFFFAOYSA-N 1 0 284.132 2.292 10 0 CEAERO CN(Cc1cnc(Cl)s1)C1CC[NH+](C)CC1 ZINC000086776402 179329064 /nfs/dbraw/zinc/32/90/64/179329064.db2.gz OWICJAPZFYHROZ-UHFFFAOYSA-N 1 0 259.806 2.323 10 0 CEAERO C[C@H]1CCC[C@H](C[NH3+])N1Cc1cnc(Cl)s1 ZINC000086777888 179329263 /nfs/dbraw/zinc/32/92/63/179329263.db2.gz XYGFCAKYDWQCBR-DTWKUNHWSA-N 1 0 259.806 2.498 10 0 CEAERO C[C@H](O[C@@]1(C[NH3+])CCC[C@@H](C)C1)C(=O)NC1CCCC1 ZINC000086712633 179322960 /nfs/dbraw/zinc/32/29/60/179322960.db2.gz IAGCNHMQFQXFAD-WWGRRREGSA-N 1 0 282.428 2.358 10 0 CEAERO CC[C@@]1(C(=O)[O-])CC[N@@H+](C2CC[NH+](C(C)C)CC2)C1 ZINC000086781233 179330870 /nfs/dbraw/zinc/33/08/70/179330870.db2.gz WEXOJYWBYNDHLZ-OAHLLOKOSA-N 1 0 268.401 2.046 10 0 CEAERO C[N@@H+]1CCC[C@H](Nc2ccc(-n3cc[nH]c3=O)cc2)CC1 ZINC000086818753 179347292 /nfs/dbraw/zinc/34/72/92/179347292.db2.gz DZHVUJDUQVMTMV-ZDUSSCGKSA-N 1 0 286.379 2.062 10 0 CEAERO COC(=O)[C@]1(Nc2ccc(OC)cc2)CCC[N@H+](C)CC1 ZINC000086819798 179348189 /nfs/dbraw/zinc/34/81/89/179348189.db2.gz WUCUNHFRGXJTEG-INIZCTEOSA-N 1 0 292.379 2.135 10 0 CEAERO C[N@@H+]1CCC[C@H](Nc2cccc(N3CCNC3=O)c2)CC1 ZINC000086817945 179345878 /nfs/dbraw/zinc/34/58/78/179345878.db2.gz WDFFOOASVJYTAX-ZDUSSCGKSA-N 1 0 288.395 2.112 10 0 CEAERO C[N@@H+]1CCC[C@](CO)(Nc2cccc(F)c2)CC1 ZINC000086834324 179349650 /nfs/dbraw/zinc/34/96/50/179349650.db2.gz XEUZQWITAZLIJH-AWEZNQCLSA-N 1 0 252.333 2.084 10 0 CEAERO C[N@@H+]1CCC[C@H](Nc2ccc(-n3nccn3)cc2)CC1 ZINC000086818421 179347183 /nfs/dbraw/zinc/34/71/83/179347183.db2.gz DAZPNOBZNNVHPM-ZDUSSCGKSA-N 1 0 271.368 2.164 10 0 CEAERO C[N@@H+]1CCC[C@](O)(Cc2ccn(C3CCCC3)n2)CC1 ZINC000086833971 179350095 /nfs/dbraw/zinc/35/00/95/179350095.db2.gz JWOLDXSWRORWOT-MRXNPFEDSA-N 1 0 277.412 2.388 10 0 CEAERO CCC[C@@]1(C(=O)[O-])CCC[N@@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC000086834595 179350131 /nfs/dbraw/zinc/35/01/31/179350131.db2.gz QCTJOPJAYOFVHS-GDBMZVCRSA-N 1 0 282.428 2.438 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2ccccc2S(C)(=O)=O)CC1 ZINC000086839221 179351836 /nfs/dbraw/zinc/35/18/36/179351836.db2.gz HFSUGQHRTLHFRF-CYBMUJFWSA-N 1 0 296.436 2.376 10 0 CEAERO Cc1cc(CN[C@@H]2CCC[N@@H+](C(C)C)CC2)on1 ZINC000086843566 179352424 /nfs/dbraw/zinc/35/24/24/179352424.db2.gz CONCJZBVRIRATD-CYBMUJFWSA-N 1 0 251.374 2.336 10 0 CEAERO CCC[N@@H+]1CCC[C@@H](NCc2cccnc2OC)CC1 ZINC000086840799 179352949 /nfs/dbraw/zinc/35/29/49/179352949.db2.gz PWJLHZSKTXAQKL-OAHLLOKOSA-N 1 0 277.412 2.444 10 0 CEAERO CCN[C@@]1(c2nccs2)CCC[N@H+](CC)CC1 ZINC000086851473 179359982 /nfs/dbraw/zinc/35/99/82/179359982.db2.gz WKUAASSJSXVSHB-ZDUSSCGKSA-N 1 0 253.415 2.454 10 0 CEAERO CC[N@@H+]1CCC[C@@](CO)(Nc2ccccc2F)CC1 ZINC000086868175 179360154 /nfs/dbraw/zinc/36/01/54/179360154.db2.gz JPCJXLLXZJVMOX-OAHLLOKOSA-N 1 0 266.360 2.475 10 0 CEAERO CC1(C)CC[C@H](S(=O)(=O)c2cccs2)[C@@H]1[NH3+] ZINC000086866843 179360271 /nfs/dbraw/zinc/36/02/71/179360271.db2.gz FEORCXQPLNJTQF-WPRPVWTQSA-N 1 0 259.396 2.038 10 0 CEAERO CC(C)[N@@H+]1CCC[C@](CO)(NCc2ccccc2)CC1 ZINC000086867911 179360932 /nfs/dbraw/zinc/36/09/32/179360932.db2.gz LVHYOYJLFWMVHO-KRWDZBQOSA-N 1 0 276.424 2.402 10 0 CEAERO CC[NH2+][C@@H]1CCC[C@@H]1c1nc(-c2ccccn2)no1 ZINC000104060320 185889333 /nfs/dbraw/zinc/88/93/33/185889333.db2.gz XNWXNOJIMXZXGS-WDEREUQCSA-N 1 0 258.325 2.377 10 0 CEAERO CC[N@@H+]1CCC[C@](Nc2ccccc2Cl)(C(N)=O)CC1 ZINC000086849339 179358472 /nfs/dbraw/zinc/35/84/72/179358472.db2.gz KDWCGIMUCKVHDY-OAHLLOKOSA-N 1 0 295.814 2.482 10 0 CEAERO CC[N@@H+]1CCC[C@@](O)(c2ccc(OC)cc2OC)CC1 ZINC000086852274 179359164 /nfs/dbraw/zinc/35/91/64/179359164.db2.gz LTRHSTZCXHAOKO-INIZCTEOSA-N 1 0 279.380 2.397 10 0 CEAERO CC[N@@H+]1CCC[C@](NC)(c2nc(C)cs2)CC1 ZINC000086851388 179359277 /nfs/dbraw/zinc/35/92/77/179359277.db2.gz AEDPJNQWRJDSOB-CYBMUJFWSA-N 1 0 253.415 2.372 10 0 CEAERO CC[N@@H+]1CCC[C@](O)(c2cc(OC)ccc2OC)CC1 ZINC000086852276 179359388 /nfs/dbraw/zinc/35/93/88/179359388.db2.gz PFCCIUJJJZEAPB-MRXNPFEDSA-N 1 0 279.380 2.397 10 0 CEAERO CCS(=O)(=O)CCC[C@@H](Cc1ccccc1OC)[NH2+]C ZINC000086979007 179372516 /nfs/dbraw/zinc/37/25/16/179372516.db2.gz YKBPGHLHCDBCGB-AWEZNQCLSA-N 1 0 299.436 2.041 10 0 CEAERO CCS(=O)(=O)CCC[C@@]1([NH3+])CCC[C@@H](C2CC2)C1 ZINC000086977483 179372794 /nfs/dbraw/zinc/37/27/94/179372794.db2.gz SJCKJLTYCZQGEZ-KGLIPLIRSA-N 1 0 273.442 2.499 10 0 CEAERO CCC[NH2+][C@H](CCCS(=O)(=O)CC)Cc1cccnc1 ZINC000086979342 179372956 /nfs/dbraw/zinc/37/29/56/179372956.db2.gz WBTISPYNVLVFTD-OAHLLOKOSA-N 1 0 298.452 2.207 10 0 CEAERO CCS(=O)(=O)CCC[C@H](C[NH3+])Cc1ccccc1C ZINC000086980707 179372996 /nfs/dbraw/zinc/37/29/96/179372996.db2.gz JREOWCAAPCENIG-AWEZNQCLSA-N 1 0 283.437 2.327 10 0 CEAERO CC[NH2+][C@@H](CCCS(=O)(=O)CC)c1ccco1 ZINC000086979402 179373327 /nfs/dbraw/zinc/37/33/27/179373327.db2.gz BQKLXDZBSCTVPJ-NSHDSACASA-N 1 0 259.371 2.145 10 0 CEAERO CCS(=O)(=O)CCC[C@H]1[NH2+]CCc2ccccc21 ZINC000086979753 179373437 /nfs/dbraw/zinc/37/34/37/179373437.db2.gz QKOWFNDZHSIJOK-CQSZACIVSA-N 1 0 267.394 2.088 10 0 CEAERO CC[NH2+]C[C@H](CCCS(=O)(=O)CC)CC(C)C ZINC000086980791 179373503 /nfs/dbraw/zinc/37/35/03/179373503.db2.gz YBOOTKUBGUMSIX-CYBMUJFWSA-N 1 0 263.447 2.473 10 0 CEAERO C[C@@H]1CN([C@]2(C[NH3+])CCC[C@@H](C)CC2)C[C@H](C)O1 ZINC000086890382 179366198 /nfs/dbraw/zinc/36/61/98/179366198.db2.gz MFLGRBFCQNMDJT-APIJFGDWSA-N 1 0 254.418 2.393 10 0 CEAERO CCOC(=O)[C@]1(NCC[NH+](C)C)CCC[C@@H](CC)CC1 ZINC000086915939 179367237 /nfs/dbraw/zinc/36/72/37/179367237.db2.gz VIAWLYLBTMGEQY-ZBFHGGJFSA-N 1 0 284.444 2.430 10 0 CEAERO C[C@@H]1C[C@@](C[NH3+])(N(C)Cc2cccs2)CS1 ZINC000086936652 179367967 /nfs/dbraw/zinc/36/79/67/179367967.db2.gz VULDOCJGQNWHPW-PWSUYJOCSA-N 1 0 256.440 2.403 10 0 CEAERO COCCCc1nc(C)cc(C[NH2+]CC(C)C)n1 ZINC000086971494 179370457 /nfs/dbraw/zinc/37/04/57/179370457.db2.gz BOUWNWWSGTZCSQ-UHFFFAOYSA-N 1 0 251.374 2.110 10 0 CEAERO CCS(=O)(=O)CCCOc1ccc(C)cc1[C@H](C)[NH2+]C ZINC000086972894 179371649 /nfs/dbraw/zinc/37/16/49/179371649.db2.gz XLCSSJZLFJTWPR-ZDUSSCGKSA-N 1 0 299.436 2.479 10 0 CEAERO CCC(O)(CC)C[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000087014136 179379822 /nfs/dbraw/zinc/37/98/22/179379822.db2.gz KCRWDJBXZNMYSS-MRXNPFEDSA-N 1 0 276.424 2.402 10 0 CEAERO C[NH2+]CCc1cn(Cc2ccc(Cl)s2)cn1 ZINC000087016727 179380541 /nfs/dbraw/zinc/38/05/41/179380541.db2.gz BPKLFIVNOFZHRQ-UHFFFAOYSA-N 1 0 255.774 2.408 10 0 CEAERO Cc1cc(C[NH2+]CC2(O)CCCCC2)c(C)n1C ZINC000087017586 179380894 /nfs/dbraw/zinc/38/08/94/179380894.db2.gz NLJMIFUFSSEPGI-UHFFFAOYSA-N 1 0 250.386 2.427 10 0 CEAERO CCC(O)(CC)C[NH2+]C[C@H](O)COc1cc(C)ccc1C ZINC000087028244 179382062 /nfs/dbraw/zinc/38/20/62/179382062.db2.gz SCDWIURXFZWJKX-HNNXBMFYSA-N 1 0 295.423 2.184 10 0 CEAERO Cc1cc([C@H]([NH3+])[C@H]2COCCO2)sc1Br ZINC000087019099 179381392 /nfs/dbraw/zinc/38/13/92/179381392.db2.gz PNSDEEJAXHEIHJ-VXNVDRBHSA-N 1 0 292.198 2.234 10 0 CEAERO CCC(O)(CC)C[NH2+]CC(=O)Nc1c(F)cccc1F ZINC000087028511 179381636 /nfs/dbraw/zinc/38/16/36/179381636.db2.gz SDMOLRVIHXRMJC-UHFFFAOYSA-N 1 0 286.322 2.044 10 0 CEAERO CC[C@](C)(O)C[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000087028122 179381733 /nfs/dbraw/zinc/38/17/33/179381733.db2.gz RSHSVMNPUOSQAZ-OLZOCXBDSA-N 1 0 291.313 2.489 10 0 CEAERO CC(C)(C)[C@@H](CC[NH3+])CCC(=O)NCC1(O)CCCC1 ZINC000087027403 179381774 /nfs/dbraw/zinc/38/17/74/179381774.db2.gz GVFFYSVECPZZIH-CYBMUJFWSA-N 1 0 284.444 2.199 10 0 CEAERO CCCN1CCO[C@H](C[NH2+]C)[C@@H]1c1ccc(OC)c(F)c1 ZINC000086995040 179376001 /nfs/dbraw/zinc/37/60/01/179376001.db2.gz YBTSGEWDPMMUIJ-CVEARBPZSA-N 1 0 296.386 2.206 10 0 CEAERO O=C(NCC[C@@H]1CCCC[NH2+]1)c1c(F)cc(F)cc1F ZINC000086996369 179376911 /nfs/dbraw/zinc/37/69/11/179376911.db2.gz ZFFFEXXJVOBFFY-JTQLQIEISA-N 1 0 286.297 2.366 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1c(F)cc(F)cc1F ZINC000086997881 179377420 /nfs/dbraw/zinc/37/74/20/179377420.db2.gz IMURKDBCPWDMTJ-GHMZBOCLSA-N 1 0 272.270 2.104 10 0 CEAERO [NH3+]CCCc1noc(-c2c(F)cc(F)cc2F)n1 ZINC000086998687 179377915 /nfs/dbraw/zinc/37/79/15/179377915.db2.gz XOZLKCILDULNPK-UHFFFAOYSA-N 1 0 257.215 2.045 10 0 CEAERO CCC1CCC(O)(C[NH2+][C@@H](C)c2cnccn2)CC1 ZINC000087053497 179389340 /nfs/dbraw/zinc/38/93/40/179389340.db2.gz JNGRSBSDYPYOTI-OPFPJEHXSA-N 1 0 263.385 2.459 10 0 CEAERO CC[C@@](C)([NH3+])C(=O)Nc1cc(Br)ccc1O ZINC000087049231 179388555 /nfs/dbraw/zinc/38/85/55/179388555.db2.gz ZXLHYABYJZZJJG-LLVKDONJSA-N 1 0 287.157 2.221 10 0 CEAERO C[C@H]([NH2+]CC1(O)CCCCC1)C(=O)N1CCCCCC1 ZINC000087029197 179382418 /nfs/dbraw/zinc/38/24/18/179382418.db2.gz VUZUNHIUCDCOFW-AWEZNQCLSA-N 1 0 282.428 2.062 10 0 CEAERO C[NH2+]C[C@H](O[C@H]1CCOC1)c1ccc(Cl)cc1 ZINC000104119038 185898803 /nfs/dbraw/zinc/89/88/03/185898803.db2.gz VZTSYEFXYDECIW-STQMWFEESA-N 1 0 255.745 2.406 10 0 CEAERO CCC[NH2+][C@H](CCCS(=O)(=O)CC)CSCC ZINC000087106043 179394565 /nfs/dbraw/zinc/39/45/65/179394565.db2.gz BEDMPIUMFQBUIS-GFCCVEGCSA-N 1 0 281.487 2.323 10 0 CEAERO CCC[NH2+][C@@H](CCCS(=O)(=O)CC)CSCC ZINC000087106041 179394658 /nfs/dbraw/zinc/39/46/58/179394658.db2.gz BEDMPIUMFQBUIS-LBPRGKRZSA-N 1 0 281.487 2.323 10 0 CEAERO CCC[NH2+][C@@H](CSCC)Cc1cccnc1N ZINC000087105972 179394858 /nfs/dbraw/zinc/39/48/58/179394858.db2.gz NGWIMIAUGOTGNO-GFCCVEGCSA-N 1 0 253.415 2.328 10 0 CEAERO CCS(=O)(=O)CCC[C@@H](CSC(C)(C)C)[NH2+]C ZINC000087117453 179395209 /nfs/dbraw/zinc/39/52/09/179395209.db2.gz RRUXDWOZUFBHRW-NSHDSACASA-N 1 0 281.487 2.321 10 0 CEAERO CC[NH2+][C@H](CCCS(C)(=O)=O)CSC(C)(C)C ZINC000087118289 179395686 /nfs/dbraw/zinc/39/56/86/179395686.db2.gz QCTSJZPFXWMKIY-LLVKDONJSA-N 1 0 281.487 2.321 10 0 CEAERO C[C@H]([NH2+]C[C@@]1(O)CCC[C@@H](C)C1)C(=O)N1CCCCCC1 ZINC000087064995 179389889 /nfs/dbraw/zinc/38/98/89/179389889.db2.gz SOWJXVJTBQSNHC-HLLBOEOZSA-N 1 0 296.455 2.308 10 0 CEAERO Cc1ccccc1NC(=O)C[NH2+]C[C@]1(O)CCC[C@@H](C)C1 ZINC000087065623 179389963 /nfs/dbraw/zinc/38/99/63/179389963.db2.gz SUSFALXEEAFXAH-DYVFJYSZSA-N 1 0 290.407 2.464 10 0 CEAERO C[C@@H]([NH2+]CC1(O)CCC(C)(C)CC1)C(=O)NC(C)(C)C ZINC000087063704 179390041 /nfs/dbraw/zinc/39/00/41/179390041.db2.gz GMXRGKUYFFHXBJ-GFCCVEGCSA-N 1 0 284.444 2.211 10 0 CEAERO CCC1CCC(O)(C[NH2+]CCn2ccnc2C)CC1 ZINC000087066115 179390096 /nfs/dbraw/zinc/39/00/96/179390096.db2.gz GJPOBBJCSUEDAQ-UHFFFAOYSA-N 1 0 265.401 2.112 10 0 CEAERO O[C@H]1CCCCC[C@H]1[NH2+]CC1(O)CCCCCC1 ZINC000087089219 179393334 /nfs/dbraw/zinc/39/33/34/179393334.db2.gz NGOUFDALDGREGE-KGLIPLIRSA-N 1 0 255.402 2.355 10 0 CEAERO C[C@H]([NH2+]CC1(O)CCCCCC1)C(=O)NC1CCCC1 ZINC000087089199 179393763 /nfs/dbraw/zinc/39/37/63/179393763.db2.gz VLKGLDHDZSEFCS-ZDUSSCGKSA-N 1 0 282.428 2.109 10 0 CEAERO CC[C@@H](C)SC[C@@H](Cc1ccnc(N)c1)[NH2+]C ZINC000087135655 179396785 /nfs/dbraw/zinc/39/67/85/179396785.db2.gz OEVOOQAXXSAVAI-ZYHUDNBSSA-N 1 0 253.415 2.326 10 0 CEAERO CN1CCN(C(=[NH2+])CSC2CCCCC2)CC1 ZINC000087151420 179397862 /nfs/dbraw/zinc/39/78/62/179397862.db2.gz ABAHAUGTSITHNH-UHFFFAOYSA-N 1 0 255.431 2.277 10 0 CEAERO OC1(Cc2cccc(F)c2F)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000087172573 179399001 /nfs/dbraw/zinc/39/90/01/179399001.db2.gz KPLCALZYQCLRBQ-BVUQATHDSA-N 1 0 253.292 2.153 10 0 CEAERO Cc1oc(C)c(C(=O)N[C@H]2CCC[C@H]2C[NH3+])c1C ZINC000087188264 179399689 /nfs/dbraw/zinc/39/96/89/179399689.db2.gz BUCUACZNFRKIJB-RYUDHWBXSA-N 1 0 250.342 2.062 10 0 CEAERO COc1c(C)c[nH+]c(C[C@]2(O)CCCOCC2)c1C ZINC000087186712 179399702 /nfs/dbraw/zinc/39/97/02/179399702.db2.gz RNIYDFFRJDLNNB-HNNXBMFYSA-N 1 0 265.353 2.181 10 0 CEAERO Cc1oc(C)c(C(=O)NC[C@H]2CCCC[C@@H]2[NH3+])c1C ZINC000087203419 179401156 /nfs/dbraw/zinc/40/11/56/179401156.db2.gz OJTCTTDBLSDFSD-OLZOCXBDSA-N 1 0 264.369 2.452 10 0 CEAERO C[NH2+][C@H](CCCS(C)(=O)=O)c1cscc1C ZINC000087288613 179408113 /nfs/dbraw/zinc/40/81/13/179408113.db2.gz JMEBRCJVHNAZIK-LLVKDONJSA-N 1 0 261.412 2.142 10 0 CEAERO [NH3+]C[C@H](c1cc(F)cc(F)c1)[C@H](O)c1ccncc1 ZINC000087382161 179417614 /nfs/dbraw/zinc/41/76/14/179417614.db2.gz XGYJDPXLZRGPOJ-ZIAGYGMSSA-N 1 0 264.275 2.136 10 0 CEAERO COc1ccc([C@@H](O)[C@H](C[NH3+])CC(C)C)c(OC)c1OC ZINC000087379146 179417618 /nfs/dbraw/zinc/41/76/18/179417618.db2.gz LNCSROCZPIVAHK-FZMZJTMJSA-N 1 0 297.395 2.367 10 0 CEAERO [NH3+]C[C@@H](c1ccc2c(c1)OCCO2)[C@@H](O)c1ccsc1 ZINC000087382077 179417747 /nfs/dbraw/zinc/41/77/47/179417747.db2.gz WLJXDEJUMJJVCZ-WFASDCNBSA-N 1 0 291.372 2.295 10 0 CEAERO CCC[C@H](C[NH3+])c1nc(COc2ccccc2)no1 ZINC000087501076 179435991 /nfs/dbraw/zinc/43/59/91/179435991.db2.gz OBAVCYRLKWXSLB-LLVKDONJSA-N 1 0 261.325 2.491 10 0 CEAERO CN(CCCNC(=O)C(C)(C)C(C)(C)[NH3+])c1ccccc1 ZINC000087627014 179458235 /nfs/dbraw/zinc/45/82/35/179458235.db2.gz PJNHJUMIGQOLAS-UHFFFAOYSA-N 1 0 291.439 2.393 10 0 CEAERO C[C@@H](CCc1ccco1)NC(=O)C(C)(C)C(C)(C)[NH3+] ZINC000087628869 179459108 /nfs/dbraw/zinc/45/91/08/179459108.db2.gz PRBXTPGXUUBTLI-NSHDSACASA-N 1 0 266.385 2.480 10 0 CEAERO C[C@@H]([NH3+])CCC[C@@H](C)C(=O)NCC1(O)CCCCCC1 ZINC000087704286 179473616 /nfs/dbraw/zinc/47/36/16/179473616.db2.gz RCPYGEHGVRXVLX-ZIAGYGMSSA-N 1 0 284.444 2.342 10 0 CEAERO COCc1nc(C)c(C[C@H](C)C[NH2+]C2CC2)c(C)n1 ZINC000087707473 179474945 /nfs/dbraw/zinc/47/49/45/179474945.db2.gz GOJUDKOYPNSWMF-JTQLQIEISA-N 1 0 263.385 2.170 10 0 CEAERO Cc1cc([C@H]([NH3+])C[C@@H](C)CC(N)=O)cc(C)c1F ZINC000087720016 179476166 /nfs/dbraw/zinc/47/61/66/179476166.db2.gz JELVHXNTKGHXHY-PRHODGIISA-N 1 0 252.333 2.344 10 0 CEAERO C[C@H]1COc2ccc(CCOCC[NH2+]C3CC3)cc2OC1 ZINC000087731062 179479300 /nfs/dbraw/zinc/47/93/00/179479300.db2.gz TXVPGBXKPPPJPN-ZDUSSCGKSA-N 1 0 291.391 2.405 10 0 CEAERO Cc1nnc(NCc2ccc(C[NH3+])cc2F)s1 ZINC000087457779 539641977 /nfs/dbraw/zinc/64/19/77/539641977.db2.gz WSLDJOZKZMPLCA-UHFFFAOYSA-N 1 0 252.318 2.056 10 0 CEAERO CCC[NH2+][C@@H](c1ccnn1CCC)[C@@H]1CCOC1 ZINC000087805134 179488694 /nfs/dbraw/zinc/48/86/94/179488694.db2.gz WJHCHXJFZOMTGX-TZMCWYRMSA-N 1 0 251.374 2.370 10 0 CEAERO Cc1ccc(-c2nnco2)cc1NC(=O)[C@H](C[NH3+])C(C)C ZINC000087519242 179438934 /nfs/dbraw/zinc/43/89/34/179438934.db2.gz NXHSTCCWQOAQAN-GFCCVEGCSA-N 1 0 288.351 2.214 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000087518490 179439063 /nfs/dbraw/zinc/43/90/63/179439063.db2.gz YDDGDBDAFUGRCU-LBPRGKRZSA-N 1 0 272.352 2.186 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)Nc1cc(Cl)ccc1-n1cccn1 ZINC000087523286 179440090 /nfs/dbraw/zinc/44/00/90/179440090.db2.gz KAIOYIDGGSCASC-JTQLQIEISA-N 1 0 292.770 2.449 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)Nc1c(C)nn(C(C)C)c1C ZINC000087523974 179440194 /nfs/dbraw/zinc/44/01/94/179440194.db2.gz WRXGVXAZNVQMTC-NSHDSACASA-N 1 0 252.362 2.004 10 0 CEAERO CC(C)[C@@H](C[NH3+])C(=O)N[C@@H](C)Cc1c(F)cccc1F ZINC000087523392 179440323 /nfs/dbraw/zinc/44/03/23/179440323.db2.gz GTATVACNXZIUAH-CMPLNLGQSA-N 1 0 284.350 2.243 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)N(C)Cc1nc2ccccc2s1 ZINC000087524709 179440781 /nfs/dbraw/zinc/44/07/81/179440781.db2.gz HSEQVPDJDATOCM-JTQLQIEISA-N 1 0 277.393 2.240 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)NCC(C)(C)c1ccccc1 ZINC000087528615 179441096 /nfs/dbraw/zinc/44/10/96/179441096.db2.gz SBUYJYSRKYESJP-ZDUSSCGKSA-N 1 0 262.397 2.455 10 0 CEAERO c1ccc2c(c1)C[NH2+]C[C@@H]2c1nc(-c2cccnc2)no1 ZINC000087611674 179454322 /nfs/dbraw/zinc/45/43/22/179454322.db2.gz NZLLGZIKEXLRJF-AWEZNQCLSA-N 1 0 278.315 2.367 10 0 CEAERO c1ccc(C[N@@H+]2CCN[C@@H](c3ccncc3)C2)cc1 ZINC000616632870 348541305 /nfs/dbraw/zinc/54/13/05/348541305.db2.gz CMEAGHLUTKCSAX-MRXNPFEDSA-N 1 0 253.349 2.228 10 0 CEAERO OCCc1ccccc1[C@H]1C[NH2+]CCN1Cc1ccccc1 ZINC000616635502 348542380 /nfs/dbraw/zinc/54/23/80/348542380.db2.gz GVXPUBFMULIAQI-LJQANCHMSA-N 1 0 296.414 2.368 10 0 CEAERO c1nnoc1[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000616650708 348548003 /nfs/dbraw/zinc/54/80/03/348548003.db2.gz DUAMKCLTUJHCSD-CQSZACIVSA-N 1 0 259.309 2.033 10 0 CEAERO Nc1cc([C@@H]2C[N@H+](Cc3ccccc3)CCCO2)ccn1 ZINC000616651474 348548513 /nfs/dbraw/zinc/54/85/13/348548513.db2.gz AVEFLFJYMIAYNC-INIZCTEOSA-N 1 0 283.375 2.458 10 0 CEAERO CC[N@@H+]1CCCO[C@@H](c2cc3ccccc3nn2)C1 ZINC000616653335 348549181 /nfs/dbraw/zinc/54/91/81/348549181.db2.gz MHVJTQYOYNZOHT-OAHLLOKOSA-N 1 0 257.337 2.413 10 0 CEAERO CC1(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccccc2)CC1 ZINC000616571252 348524316 /nfs/dbraw/zinc/52/43/16/348524316.db2.gz QCGMGUXHOBXDQW-UONOGXRCSA-N 1 0 258.365 2.048 10 0 CEAERO CN(C)C(=O)c1sc2ncccc2c1[C@H]1CCC[NH2+]C1 ZINC000616576733 348525399 /nfs/dbraw/zinc/52/53/99/348525399.db2.gz XWJLYEPJNVAHKH-JTQLQIEISA-N 1 0 289.404 2.465 10 0 CEAERO CCC(CC)CN(CC)c1nc[nH+]c(NN)c1C ZINC000087864530 179504955 /nfs/dbraw/zinc/50/49/55/179504955.db2.gz IIZYFIUPGKJKHJ-UHFFFAOYSA-N 1 0 251.378 2.333 10 0 CEAERO CSc1nc(N[C@@H]2CCC[C@@H]2C)cc(NN)[nH+]1 ZINC000087876586 179507438 /nfs/dbraw/zinc/50/74/38/179507438.db2.gz WPKKBYYLUBPVRF-JGVFFNPUSA-N 1 0 253.375 2.085 10 0 CEAERO Cc1nc(O[C@H]2CCCC[C@H]2C)c(C)c(NN)[nH+]1 ZINC000087878111 179507616 /nfs/dbraw/zinc/50/76/16/179507616.db2.gz GFPQWYPPJWJHAV-KCJUWKMLSA-N 1 0 250.346 2.337 10 0 CEAERO CCCc1c(NN)[nH+]cnc1N(C)C(C)(C)CC ZINC000087878432 179507904 /nfs/dbraw/zinc/50/79/04/179507904.db2.gz KAMUYCGEJAVMAV-UHFFFAOYSA-N 1 0 251.378 2.340 10 0 CEAERO CC(C)[N@@H+]1CCOCC[C@H]1c1ccccc1CCO ZINC000616597674 348529338 /nfs/dbraw/zinc/52/93/38/348529338.db2.gz HUUJGCZVTUWWBH-INIZCTEOSA-N 1 0 263.381 2.393 10 0 CEAERO OCC[N@@H+]1CCC[C@H](c2cccc3ccnnc32)CC1 ZINC000616602103 348530986 /nfs/dbraw/zinc/53/09/86/348530986.db2.gz WXRPSTJWIBUEAG-ZDUSSCGKSA-N 1 0 271.364 2.192 10 0 CEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H](F)CC1 ZINC000616600868 348531210 /nfs/dbraw/zinc/53/12/10/348531210.db2.gz MITBFEFWUYTBGL-NSHDSACASA-N 1 0 260.353 2.335 10 0 CEAERO CCOC(=O)N1CC[NH2+]C[C@@H]1c1cncc2ccccc21 ZINC000616604041 348532107 /nfs/dbraw/zinc/53/21/07/348532107.db2.gz SYDQNGCIIFUARM-OAHLLOKOSA-N 1 0 285.347 2.338 10 0 CEAERO [NH3+]CCN1CCC[C@@H](c2cccc3ncccc32)C1 ZINC000616609258 348533464 /nfs/dbraw/zinc/53/34/64/348533464.db2.gz OBWCDRXRNBRVTL-CYBMUJFWSA-N 1 0 255.365 2.373 10 0 CEAERO [NH3+]CCN1CCCC[C@@H]1c1cccc2ccnnc21 ZINC000616614440 348534909 /nfs/dbraw/zinc/53/49/09/348534909.db2.gz GAXXCLITAZUFPQ-CQSZACIVSA-N 1 0 256.353 2.116 10 0 CEAERO Cc1ccc(Cl)cc1Oc1cc(NN)[nH+]c(N)n1 ZINC000087891391 179513620 /nfs/dbraw/zinc/51/36/20/179513620.db2.gz GWKQCGUCAVONKR-UHFFFAOYSA-N 1 0 265.704 2.099 10 0 CEAERO CCOC(=O)c1ccc(C2CC[NH+](CCO)CC2)cc1 ZINC000616620380 348537291 /nfs/dbraw/zinc/53/72/91/348537291.db2.gz YJVRODWILIWQJP-UHFFFAOYSA-N 1 0 277.364 2.035 10 0 CEAERO CSc1nc(N[C@H]2CCCC[C@H]2C)cc(NN)[nH+]1 ZINC000087905018 179516394 /nfs/dbraw/zinc/51/63/94/179516394.db2.gz ZNXAHWUSCDKHFR-BDAKNGLRSA-N 1 0 267.402 2.475 10 0 CEAERO CCn1cc(C[C@@H]([NH3+])[C@@H]2COc3ccccc3C2)cn1 ZINC000088020899 179536672 /nfs/dbraw/zinc/53/66/72/179536672.db2.gz MDVXFDVHMUMHDE-LSDHHAIUSA-N 1 0 271.364 2.024 10 0 CEAERO C[C@H]([NH3+])Cc1cnc([C@H]2CCOc3ccccc32)nc1 ZINC000088040604 179537830 /nfs/dbraw/zinc/53/78/30/179537830.db2.gz SOMFYKUSIBZGKY-FZMZJTMJSA-N 1 0 269.348 2.281 10 0 CEAERO CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H](C)c1ccco1 ZINC000088276195 179573744 /nfs/dbraw/zinc/57/37/44/179573744.db2.gz ZNXHGIUAYMPCDD-RYUDHWBXSA-N 1 0 252.358 2.468 10 0 CEAERO CC[NH2+][C@@H](CCc1ccc(OC)cc1)[C@@H]1COCCO1 ZINC000088105717 179549800 /nfs/dbraw/zinc/54/98/00/179549800.db2.gz RAWKYUVSJKJQQQ-HOTGVXAUSA-N 1 0 279.380 2.021 10 0 CEAERO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C1([NH3+])CC1 ZINC000088130423 179553738 /nfs/dbraw/zinc/55/37/38/179553738.db2.gz SUWPUDQCLMCREP-SNVBAGLBSA-N 1 0 258.321 2.444 10 0 CEAERO CC(C)C[C@@H](C[NH3+])CC(=O)Nc1cccc(NC(N)=O)c1 ZINC000088276787 179573966 /nfs/dbraw/zinc/57/39/66/179573966.db2.gz YWDFLFTVMIDGTG-LLVKDONJSA-N 1 0 292.383 2.127 10 0 CEAERO C[C@H](O)C[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000088187327 179560901 /nfs/dbraw/zinc/56/09/01/179560901.db2.gz QNPYBEYJHAILSY-WPRPVWTQSA-N 1 0 258.159 2.262 10 0 CEAERO C[C@@H](O)C[C@@H](C[NH3+])c1cc(Br)ccc1F ZINC000088187180 179561191 /nfs/dbraw/zinc/56/11/91/179561191.db2.gz VRHRSIXTNDVMQC-SFYZADRCSA-N 1 0 276.149 2.401 10 0 CEAERO C[C@@H](O)C[C@H](C[NH3+])c1ccc(F)c(Br)c1 ZINC000088187084 179561560 /nfs/dbraw/zinc/56/15/60/179561560.db2.gz BYYNWRNBGLXBTC-VXNVDRBHSA-N 1 0 276.149 2.401 10 0 CEAERO c1cc([C@H]2CC[N@H+](Cc3ccccc3)CCO2)n[nH]1 ZINC000616664015 348554408 /nfs/dbraw/zinc/55/44/08/348554408.db2.gz ZYCGHHFXIZQBND-OAHLLOKOSA-N 1 0 257.337 2.373 10 0 CEAERO OCC[N@@H+]1CCc2ccccc2[C@H]1c1ccccc1CO ZINC000616678401 348557934 /nfs/dbraw/zinc/55/79/34/348557934.db2.gz HLUHQBDBTBMZRP-SFHVURJKSA-N 1 0 283.371 2.119 10 0 CEAERO [NH3+]CCN1CCCO[C@H](c2ccccc2Cl)C1 ZINC000616677986 348558004 /nfs/dbraw/zinc/55/80/04/348558004.db2.gz ATIHDANEQCTMBB-ZDUSSCGKSA-N 1 0 254.761 2.062 10 0 CEAERO Nc1ccc([C@@H]2c3ccccc3CC[N@H+]2CCO)cc1 ZINC000616679768 348558898 /nfs/dbraw/zinc/55/88/98/348558898.db2.gz WWSCOQSSSOYCGP-QGZVFWFLSA-N 1 0 268.360 2.209 10 0 CEAERO O=C([O-])CC1(C[NH+]2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000088256158 179571532 /nfs/dbraw/zinc/57/15/32/179571532.db2.gz ZNJXDZWSXQUOBS-UHFFFAOYSA-N 1 0 280.412 2.049 10 0 CEAERO COc1ccc(OCCC2(C[NH3+])CCOCC2)cc1 ZINC000088414900 179595100 /nfs/dbraw/zinc/59/51/00/179595100.db2.gz JMNCUVUXJFDRKE-UHFFFAOYSA-N 1 0 265.353 2.220 10 0 CEAERO CCOc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@@H](C)C2)cc1 ZINC000088449294 179605285 /nfs/dbraw/zinc/60/52/85/179605285.db2.gz MQQIMBKOMCBEFQ-RYUDHWBXSA-N 1 0 262.353 2.269 10 0 CEAERO CCOc1cccc(NC(=O)[C@H]2C[NH2+]C[C@@H](C)C2)c1 ZINC000088450380 179606149 /nfs/dbraw/zinc/60/61/49/179606149.db2.gz AMILDSVTCMCNDK-NWDGAFQWSA-N 1 0 262.353 2.269 10 0 CEAERO C[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H](C)C1)c1cccc(F)c1 ZINC000088450345 179606196 /nfs/dbraw/zinc/60/61/96/179606196.db2.gz BJFZXEGBZZRAPG-GMXVVIOVSA-N 1 0 264.344 2.249 10 0 CEAERO CCc1ccccc1CNC(=O)[C@H]1C[NH2+]C[C@H](C)C1 ZINC000088451393 179606549 /nfs/dbraw/zinc/60/65/49/179606549.db2.gz HABUWNLBHJAXLX-IUODEOHRSA-N 1 0 260.381 2.111 10 0 CEAERO CCN(C[C@@H]1CCCO1)C(=O)C[C@H](C[NH3+])CC(C)C ZINC000088287290 179575139 /nfs/dbraw/zinc/57/51/39/179575139.db2.gz UPHWCGJKVXABEV-KGLIPLIRSA-N 1 0 270.417 2.025 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](N(C)CC1CCOCC1)C(F)(F)F ZINC000104197195 185927192 /nfs/dbraw/zinc/92/71/92/185927192.db2.gz JXXQVOOHHZNEMK-GHMZBOCLSA-N 1 0 268.323 2.013 10 0 CEAERO Cn1ncnc1C[C@@H]([NH3+])Cc1ccc(Cl)c(Cl)c1 ZINC000088581994 179629456 /nfs/dbraw/zinc/62/94/56/179629456.db2.gz ABMOQKNAQMRXAD-VIFPVBQESA-N 1 0 285.178 2.234 10 0 CEAERO CC(C)Cn1ncnc1C[C@@H]1C[C@H](C)CC[C@@H]1[NH3+] ZINC000088598010 179633501 /nfs/dbraw/zinc/63/35/01/179633501.db2.gz LSPLCIPKDBRTHU-AGIUHOORSA-N 1 0 250.390 2.240 10 0 CEAERO CCCn1ncnc1C[C@@H]1CCCC[C@@H]1[NH2+]CC ZINC000088597637 179633552 /nfs/dbraw/zinc/63/35/52/179633552.db2.gz TZJKNIUFXHYQJV-STQMWFEESA-N 1 0 250.390 2.399 10 0 CEAERO CCC[NH2+][C@@H](Cc1ncnn1C(C)C)Cc1ccccn1 ZINC000088610676 179637888 /nfs/dbraw/zinc/63/78/88/179637888.db2.gz VRDVTDCVBRKTSE-OAHLLOKOSA-N 1 0 287.411 2.407 10 0 CEAERO CCCn1ncnc1C[C@](C)(CC)C[NH2+]C1CC1 ZINC000088621485 179641092 /nfs/dbraw/zinc/64/10/92/179641092.db2.gz PZTDBDFRHGGUHD-AWEZNQCLSA-N 1 0 250.390 2.399 10 0 CEAERO C[C@@H]1CCCCC[C@@H]1NC(=O)CCOC1CC[NH2+]CC1 ZINC000088514330 179616360 /nfs/dbraw/zinc/61/63/60/179616360.db2.gz BXZLCZGRKWHYRN-HIFRSBDPSA-N 1 0 282.428 2.230 10 0 CEAERO [NH3+][C@@H](Cc1ccncc1)c1ccc2nccnc2c1 ZINC000088530536 179618246 /nfs/dbraw/zinc/61/82/46/179618246.db2.gz VTEYONNPEDMLPE-ZDUSSCGKSA-N 1 0 250.305 2.267 10 0 CEAERO C[NH2+][C@H](Cc1ccncc1Cl)[C@H]1CCCOC1 ZINC000088789590 179672346 /nfs/dbraw/zinc/67/23/46/179672346.db2.gz MWCNAIXMSXBLRQ-WCQYABFASA-N 1 0 254.761 2.292 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C)CN1Cc1ccncc1Cl ZINC000088791376 179672662 /nfs/dbraw/zinc/67/26/62/179672662.db2.gz BMEMWDMQKJJLHU-JQWIXIFHSA-N 1 0 253.777 2.307 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]1)Nc1c(F)cc(F)cc1F ZINC000088721673 179658232 /nfs/dbraw/zinc/65/82/32/179658232.db2.gz IZLPEXIDBKABHA-QMMMGPOBSA-N 1 0 258.243 2.185 10 0 CEAERO CCCn1ncnc1Cn1ccc2cccc(C[NH3+])c21 ZINC000088731577 179659536 /nfs/dbraw/zinc/65/95/36/179659536.db2.gz DGWNBZCDVKQBBL-UHFFFAOYSA-N 1 0 269.352 2.150 10 0 CEAERO CCc1nc(CC)n(C[C@@H]([NH2+]C)c2ccccc2OC)n1 ZINC000088741045 179662236 /nfs/dbraw/zinc/66/22/36/179662236.db2.gz NYYMJTZVTZHYSS-CYBMUJFWSA-N 1 0 288.395 2.372 10 0 CEAERO CCc1nc(CC)n(-c2cccc(C[C@H](C)[NH3+])c2)n1 ZINC000088746269 179663358 /nfs/dbraw/zinc/66/33/58/179663358.db2.gz CLLOKSXACRUQBM-NSHDSACASA-N 1 0 258.369 2.282 10 0 CEAERO CC[NH2+]Cc1cccc(CS(=O)(=O)NC[C@@H](C)CC)c1 ZINC000089026045 179692567 /nfs/dbraw/zinc/69/25/67/179692567.db2.gz CNLFKSQLHOXOEZ-ZDUSSCGKSA-N 1 0 298.452 2.262 10 0 CEAERO CC[NH2+]CCCCS(=O)(=O)N(C)Cc1ccccc1C ZINC000088987376 179690017 /nfs/dbraw/zinc/69/00/17/179690017.db2.gz WAKCQTPZDZPMJK-UHFFFAOYSA-N 1 0 298.452 2.146 10 0 CEAERO CCOCCc1nnc(CCC[NH2+]C(C)(C)C)s1 ZINC000088812985 179677131 /nfs/dbraw/zinc/67/71/31/179677131.db2.gz BUEHPIGQEWQFOE-UHFFFAOYSA-N 1 0 271.430 2.438 10 0 CEAERO FC(F)(F)CCc1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000088834868 179680494 /nfs/dbraw/zinc/68/04/94/179680494.db2.gz CPVJLKSECGQMMC-MRVPVSSYSA-N 1 0 263.263 2.107 10 0 CEAERO CCCn1ccnc1CN1CCO[C@@H]2CCCC[C@H]21 ZINC000067935420 362931326 /nfs/dbraw/zinc/93/13/26/362931326.db2.gz SQQIZJKKFAIOIF-ZIAGYGMSSA-N 1 0 263.385 2.437 10 0 CEAERO CCn1cc(Cl)cc1C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089106287 179701918 /nfs/dbraw/zinc/70/19/18/179701918.db2.gz VZBRFSHMSRHKAB-CMPLNLGQSA-N 1 0 283.803 2.409 10 0 CEAERO CC(C)(C)c1nnsc1C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089106645 179702379 /nfs/dbraw/zinc/70/23/79/179702379.db2.gz CDRDQUAJTXBNNP-NXEZZACHSA-N 1 0 296.440 2.083 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1Nc1ccc(N2CCNC2=O)cc1 ZINC000089143232 179721674 /nfs/dbraw/zinc/72/16/74/179721674.db2.gz MZNXSIRFUKHMDA-WFASDCNBSA-N 1 0 288.395 2.146 10 0 CEAERO CCN(C(=O)CSC(C)(C)C)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089113986 179707963 /nfs/dbraw/zinc/70/79/63/179707963.db2.gz HTTWLNKYDMMELO-NWDGAFQWSA-N 1 0 272.458 2.494 10 0 CEAERO CCN(C(=O)c1ccc2c(c1)CCO2)[C@H]1CCC[C@H]1C[NH3+] ZINC000089114347 179708029 /nfs/dbraw/zinc/70/80/29/179708029.db2.gz XXKWSHIQHVENBT-GJZGRUSLSA-N 1 0 288.391 2.211 10 0 CEAERO CCN(C(=O)c1ccc(OC)cc1)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089114842 179709530 /nfs/dbraw/zinc/70/95/30/179709530.db2.gz RZRRWIVCUQXMBT-DZGCQCFKSA-N 1 0 276.380 2.285 10 0 CEAERO CN(C(=O)[C@@H]1COc2ccccc21)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089118446 179711006 /nfs/dbraw/zinc/71/10/06/179711006.db2.gz OZOGDBSOEHCMIE-BPLDGKMQSA-N 1 0 288.391 2.139 10 0 CEAERO CCOC(=O)c1ccc(N(CC)[C@@H]2CCC[C@@H]2C[NH3+])nc1 ZINC000089116760 179711073 /nfs/dbraw/zinc/71/10/73/179711073.db2.gz TWGPGLRHCNLIOP-TZMCWYRMSA-N 1 0 291.395 2.212 10 0 CEAERO CC[C@H](CO)[NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000089147971 179724243 /nfs/dbraw/zinc/72/42/43/179724243.db2.gz CPFMIAIECSLUJZ-UPJWGTAASA-N 1 0 286.416 2.040 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1Nc1cc(Cl)ccc1-n1cncn1 ZINC000089148447 179724260 /nfs/dbraw/zinc/72/42/60/179724260.db2.gz ARQKNQUWVNLJSV-JQWIXIFHSA-N 1 0 291.786 2.460 10 0 CEAERO CCn1nc(C[C@H]([NH2+]C)c2ccncn2)c2ccccc21 ZINC000089177869 179742959 /nfs/dbraw/zinc/74/29/59/179742959.db2.gz YRRHRLHIHJLTPF-HNNXBMFYSA-N 1 0 281.363 2.349 10 0 CEAERO CCc1cc(CN2CCCC[C@@H]2[C@@H](C)[NH2+]C)n(CC)n1 ZINC000089180658 179744689 /nfs/dbraw/zinc/74/46/89/179744689.db2.gz PTVVFBNEVDHZMS-CZUORRHYSA-N 1 0 278.444 2.428 10 0 CEAERO CC[NH2+][C@@H](C)[C@@H]1CCCCN1Cc1cc(C)nn1C ZINC000089180674 179744819 /nfs/dbraw/zinc/74/48/19/179744819.db2.gz MGEMOKNRLFPAHU-ZFWWWQNUSA-N 1 0 264.417 2.081 10 0 CEAERO CCc1cc(CN2[C@@H](C[NH3+])CCC[C@@H]2C)n(CC)n1 ZINC000089188564 179747639 /nfs/dbraw/zinc/74/76/39/179747639.db2.gz QPUWAYHCRAXVGS-GXTWGEPZSA-N 1 0 264.417 2.167 10 0 CEAERO CC[NH2+][C@H](Cc1cc(C)nn1CC)c1ccccn1 ZINC000089192986 179749959 /nfs/dbraw/zinc/74/99/59/179749959.db2.gz LNKXRQYKTLLHBQ-OAHLLOKOSA-N 1 0 258.369 2.500 10 0 CEAERO CCC[NH2+][C@@H](Cc1cc(C)nn1C)[C@H](C)OCC ZINC000089198354 179751655 /nfs/dbraw/zinc/75/16/55/179751655.db2.gz VALSHCVHZYWVME-JSGCOSHPSA-N 1 0 253.390 2.064 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1ccc(F)cc1F ZINC000089449628 539715789 /nfs/dbraw/zinc/71/57/89/539715789.db2.gz YPMUJRWHPDVBQH-SCZZXKLOSA-N 1 0 254.280 2.278 10 0 CEAERO CN(Cc1ccc(F)cc1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089450879 539716357 /nfs/dbraw/zinc/71/63/57/539716357.db2.gz NWOKHZZZHUKEPX-TZMCWYRMSA-N 1 0 264.344 2.159 10 0 CEAERO CN(C)c1ccccc1NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089453442 539716649 /nfs/dbraw/zinc/71/66/49/539716649.db2.gz BEDBUIUYZMQTHV-RYUDHWBXSA-N 1 0 261.369 2.066 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000089454511 539717133 /nfs/dbraw/zinc/71/71/33/539717133.db2.gz RAUDTGNKXOPMSS-GARJFASQSA-N 1 0 278.318 2.162 10 0 CEAERO Cc1cc(C[C@H](C[NH3+])Cc2ccccc2F)n(C)n1 ZINC000089205551 179754167 /nfs/dbraw/zinc/75/41/67/179754167.db2.gz IGHGZDXGSOAGSU-GFCCVEGCSA-N 1 0 261.344 2.228 10 0 CEAERO CCc1cc(Cn2cc([C@H]([NH3+])CC)cn2)n(CC)n1 ZINC000089206584 179754214 /nfs/dbraw/zinc/75/42/14/179754214.db2.gz QWSGHONUTXCYMV-CQSZACIVSA-N 1 0 261.373 2.120 10 0 CEAERO CCc1cc(CN2C[C@@H](C)[NH2+]C[C@@]2(C)C2CC2)n(CC)n1 ZINC000089208913 179754611 /nfs/dbraw/zinc/75/46/11/179754611.db2.gz KDRVLECIBSQDGO-DYVFJYSZSA-N 1 0 290.455 2.428 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1ccc2[nH]ccc2c1 ZINC000089459493 539718539 /nfs/dbraw/zinc/71/85/39/539718539.db2.gz ZTISSIWCNZNXGI-WCQYABFASA-N 1 0 257.337 2.481 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@H](C2CC2)CN1Cc1cc(CC)nn1C ZINC000089211010 179755618 /nfs/dbraw/zinc/75/56/18/179755618.db2.gz LTBQQLHICQGSKF-NVXWUHKLSA-N 1 0 290.455 2.335 10 0 CEAERO C[C@H](Nc1cccc(N2CCCC2=O)c1)[C@@H]1CC[NH2+]C1 ZINC000400335209 233176751 /nfs/dbraw/zinc/17/67/51/233176751.db2.gz FBYCDAFQIGFZFI-QWHCGFSZSA-N 1 0 273.380 2.223 10 0 CEAERO CCc1nn(C)c(COc2ccccc2C(N)=[NH2+])c1Cl ZINC000089320364 179769280 /nfs/dbraw/zinc/76/92/80/179769280.db2.gz SQRIOFIHPKRZEW-UHFFFAOYSA-N 1 0 292.770 2.499 10 0 CEAERO CCc1nn(C)c(CO[C@H]2CCC[C@@H]2C[NH3+])c1Cl ZINC000089321229 179769464 /nfs/dbraw/zinc/76/94/64/179769464.db2.gz XLVMSQQRSWKRHC-SKDRFNHKSA-N 1 0 271.792 2.280 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1c1nc(-c2ccc(O)cc2)no1 ZINC000089430700 179786791 /nfs/dbraw/zinc/78/67/91/179786791.db2.gz WXDLPZQFAIZYQK-ZYHUDNBSSA-N 1 0 259.309 2.285 10 0 CEAERO COCCOc1cccc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089454783 179793519 /nfs/dbraw/zinc/79/35/19/179793519.db2.gz YSRVMJIGDIFOHC-IUODEOHRSA-N 1 0 292.379 2.025 10 0 CEAERO COc1cccc(C(=O)NC[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000089530966 179811386 /nfs/dbraw/zinc/81/13/86/179811386.db2.gz ZGQIWNJCEXVLSC-UONOGXRCSA-N 1 0 276.380 2.190 10 0 CEAERO Cc1cccc(S(=O)(=O)NC[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000089532211 179811806 /nfs/dbraw/zinc/81/18/06/179811806.db2.gz SKYUZJQUDRVTMU-UONOGXRCSA-N 1 0 296.436 2.038 10 0 CEAERO CCC[NH2+]C[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000089556515 179815932 /nfs/dbraw/zinc/81/59/32/179815932.db2.gz QVQZJATVQMXODJ-LBPRGKRZSA-N 1 0 284.425 2.040 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1CNC(=O)c1cccc(F)c1F ZINC000089500650 179804895 /nfs/dbraw/zinc/80/48/95/179804895.db2.gz KHVWMZILTMRTTA-ZJUUUORDSA-N 1 0 268.307 2.070 10 0 CEAERO CC(C)(C(=O)NC[C@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000089500717 179805036 /nfs/dbraw/zinc/80/50/36/179805036.db2.gz RSDWPGZRRFMNHI-UONOGXRCSA-N 1 0 274.408 2.455 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1CNC(=O)Nc1ccc(F)cc1F ZINC000089500834 179805432 /nfs/dbraw/zinc/80/54/32/179805432.db2.gz ITUXPJJVRGZQBJ-ZJUUUORDSA-N 1 0 283.322 2.461 10 0 CEAERO COc1ccccc1CC(=O)NC[C@H]1CCCC[C@H]1C[NH3+] ZINC000089530432 179810478 /nfs/dbraw/zinc/81/04/78/179810478.db2.gz BFGZVHWCNYEZSE-LSDHHAIUSA-N 1 0 290.407 2.119 10 0 CEAERO CN(C)c1cccc(C(=O)NC[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000089531303 179810981 /nfs/dbraw/zinc/81/09/81/179810981.db2.gz JPFKWNJKVPWHJN-HUUCEWRRSA-N 1 0 289.423 2.248 10 0 CEAERO CC[C@@H]1COCCN1[C@@H](C[NH3+])c1ccc(C)c(F)c1 ZINC000104335492 185973940 /nfs/dbraw/zinc/97/39/40/185973940.db2.gz LWYCAAPOGZAFCM-HIFRSBDPSA-N 1 0 266.360 2.245 10 0 CEAERO CC[NH2+][C@H](C)c1ccccc1SCCS(C)(=O)=O ZINC000104334896 185973992 /nfs/dbraw/zinc/97/39/92/185973992.db2.gz SXOIBVUDCUISTE-LLVKDONJSA-N 1 0 287.450 2.494 10 0 CEAERO CCCN([C@@H](C)Cc1ccc(OC)cc1)C1C[NH2+]C1 ZINC000090292409 179951196 /nfs/dbraw/zinc/95/11/96/179951196.db2.gz ARSDBOKDIHQPBP-ZDUSSCGKSA-N 1 0 262.397 2.310 10 0 CEAERO CCN(CCOc1cccc(Cl)c1)C1C[NH2+]C1 ZINC000090291704 179951230 /nfs/dbraw/zinc/95/12/30/179951230.db2.gz UFAFFHYJDQLLHI-UHFFFAOYSA-N 1 0 254.761 2.013 10 0 CEAERO Cc1ccc(NC(=O)N2C[C@@H]3C[NH2+]C[C@@H]3[C@@H]2C)cc1 ZINC000090325781 179958935 /nfs/dbraw/zinc/95/89/35/179958935.db2.gz JFFFUMDDXWIISJ-SGMGOOAPSA-N 1 0 259.353 2.067 10 0 CEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C(=O)Nc1ccc(C)cc1 ZINC000090331428 179962738 /nfs/dbraw/zinc/96/27/38/179962738.db2.gz KQSBSYMBCICDLR-VHDGCEQUSA-N 1 0 273.380 2.457 10 0 CEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1c1ccc(Cl)cn1 ZINC000090333893 179964173 /nfs/dbraw/zinc/96/41/73/179964173.db2.gz AAIBUTSDTGEUEE-ADEWGFFLSA-N 1 0 251.761 2.169 10 0 CEAERO CC1(C)[C@H]2C[NH2+]C[C@@H]2CN1C(=O)c1ccc(Cl)s1 ZINC000090336495 179965140 /nfs/dbraw/zinc/96/51/40/179965140.db2.gz NKOUAQPMFWXLGD-BDAKNGLRSA-N 1 0 284.812 2.472 10 0 CEAERO CC1(C)[C@H]2C[NH2+]C[C@H]2CN1C(=O)CC1=CCCCC1 ZINC000090336262 179965336 /nfs/dbraw/zinc/96/53/36/179965336.db2.gz DDHZPUWJDZRZED-KBPBESRZSA-N 1 0 262.397 2.333 10 0 CEAERO CC(C)(C)CCO[C@@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000090348609 179971592 /nfs/dbraw/zinc/97/15/92/179971592.db2.gz HFMONAKAHIPMHG-NWDGAFQWSA-N 1 0 257.374 2.062 10 0 CEAERO C[C@H](C[NH3+])CSCC(=O)NCc1ccccc1Cl ZINC000090350003 179971915 /nfs/dbraw/zinc/97/19/15/179971915.db2.gz YOMNZKXCVYSPBV-SNVBAGLBSA-N 1 0 286.828 2.284 10 0 CEAERO C[C@@H](CC[NH3+])SCC(=O)N(C)c1ccccc1 ZINC000090355004 179974313 /nfs/dbraw/zinc/97/43/13/179974313.db2.gz KBXISLZZFUBIHY-NSHDSACASA-N 1 0 252.383 2.120 10 0 CEAERO CC[C@H]([NH3+])CSCC(=O)N(C)C1CCCCC1 ZINC000090356502 179974937 /nfs/dbraw/zinc/97/49/37/179974937.db2.gz HRODVZCDPIGGBS-NSHDSACASA-N 1 0 258.431 2.248 10 0 CEAERO CCOC(=O)c1nc(CSC[C@H]([NH3+])CC)cs1 ZINC000090356457 179975050 /nfs/dbraw/zinc/97/50/50/179975050.db2.gz RDTZCASXDHEDSU-MRVPVSSYSA-N 1 0 274.411 2.290 10 0 CEAERO CC(C)([NH3+])CSCC(=O)NCCC1=CCCCC1 ZINC000090358255 179976253 /nfs/dbraw/zinc/97/62/53/179976253.db2.gz WNJCOIXURSFZGR-UHFFFAOYSA-N 1 0 270.442 2.464 10 0 CEAERO CCn1c([C@H]2COC[C@H]2[NH3+])nc2cccc(Cl)c21 ZINC000090363818 179977875 /nfs/dbraw/zinc/97/78/75/179977875.db2.gz STGIMOOZOKJDLK-WCBMZHEXSA-N 1 0 265.744 2.151 10 0 CEAERO CC(C)[NH2+]Cc1cn(-c2ccccc2Cl)nn1 ZINC000090299268 179952587 /nfs/dbraw/zinc/95/25/87/179952587.db2.gz HAFMQMKFBJDEPB-UHFFFAOYSA-N 1 0 250.733 2.419 10 0 CEAERO CSc1ccccc1-n1cc(C[NH2+]C(C)C)nn1 ZINC000090299597 179952750 /nfs/dbraw/zinc/95/27/50/179952750.db2.gz JLSJTQBDHFACDX-UHFFFAOYSA-N 1 0 262.382 2.487 10 0 CEAERO COc1ccc([C@@H](C)NC(=O)C[C@H]2CCCC[NH2+]2)cc1 ZINC000090310622 179955794 /nfs/dbraw/zinc/95/57/94/179955794.db2.gz XUTDFJMDLGLJLY-TZMCWYRMSA-N 1 0 276.380 2.405 10 0 CEAERO CC[NH2+][C@H]1COC[C@@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000090473242 179989898 /nfs/dbraw/zinc/98/98/98/179989898.db2.gz AYSSZFYBXNPSCT-RYUDHWBXSA-N 1 0 293.754 2.482 10 0 CEAERO CC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccccc1SCC ZINC000090489808 179992025 /nfs/dbraw/zinc/99/20/25/179992025.db2.gz DHTDAKFBVKOPEQ-DGCLKSJQSA-N 1 0 294.420 2.362 10 0 CEAERO CC[NH2+][C@H]1COC[C@@H]1CN(C)c1ccc(C)cc1C ZINC000090494650 179993340 /nfs/dbraw/zinc/99/33/40/179993340.db2.gz HQYGYEFCLMJHQE-GJZGRUSLSA-N 1 0 262.397 2.364 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)OC1CCCCCC1 ZINC000090530021 179998938 /nfs/dbraw/zinc/99/89/38/179998938.db2.gz OZMZWIQWJPAPPI-KGLIPLIRSA-N 1 0 269.385 2.267 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)N(CC(C)C)CC(C)C ZINC000090540590 180000522 /nfs/dbraw/zinc/00/05/22/180000522.db2.gz GGRZTULECJAGPH-GJZGRUSLSA-N 1 0 284.444 2.142 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccc(F)cc1C ZINC000090539106 180000587 /nfs/dbraw/zinc/00/05/87/180000587.db2.gz AGULAXIDYGJPGB-JSGCOSHPSA-N 1 0 280.343 2.087 10 0 CEAERO CC[NH2+][C@H]1CCN(CCOC2CCCC2)[C@H](C)C1 ZINC000104435424 186001302 /nfs/dbraw/zinc/00/13/02/186001302.db2.gz QSKZWHVPZZCDRY-KGLIPLIRSA-N 1 0 254.418 2.408 10 0 CEAERO Cc1ncsc1CN(C)Cc1cccc(C(N)=[NH2+])c1 ZINC000104437467 186001390 /nfs/dbraw/zinc/00/13/90/186001390.db2.gz RNDZRSCGHHTOMC-UHFFFAOYSA-N 1 0 274.393 2.368 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1CN1CCc2ccccc21 ZINC000090566032 180006131 /nfs/dbraw/zinc/00/61/31/180006131.db2.gz GOJMDCFRGRNCML-LSDHHAIUSA-N 1 0 260.381 2.064 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1CN(Cc1ccco1)C1CC1 ZINC000090566584 180006426 /nfs/dbraw/zinc/00/64/26/180006426.db2.gz VYNUOFQODDOKKG-CZUORRHYSA-N 1 0 278.396 2.259 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1CN(C)c1ccc(C)cc1 ZINC000090566722 180006610 /nfs/dbraw/zinc/00/66/10/180006610.db2.gz DPEJMWMZFDMRCR-GOEBONIOSA-N 1 0 262.397 2.446 10 0 CEAERO CCCn1c2ccccc2nc1[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090571665 180007261 /nfs/dbraw/zinc/00/72/61/180007261.db2.gz OFPLAWNPDYZNSF-ZFWWWQNUSA-N 1 0 259.353 2.062 10 0 CEAERO C[C@@]1(c2nc3ccc(F)cc3n2C2CC2)COC[C@@H]1[NH3+] ZINC000090571865 180007535 /nfs/dbraw/zinc/00/75/35/180007535.db2.gz MQFSCXQKVHNZPB-DZGCQCFKSA-N 1 0 275.327 2.126 10 0 CEAERO CCCn1c2ccc(C)cc2nc1[C@]1(C)COC[C@@H]1[NH3+] ZINC000090571696 180008007 /nfs/dbraw/zinc/00/80/07/180008007.db2.gz LPGHYFYKFHVKAO-GOEBONIOSA-N 1 0 273.380 2.370 10 0 CEAERO Cc1cccc(C(C)C)c1NC(=O)[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090580743 180008313 /nfs/dbraw/zinc/00/83/13/180008313.db2.gz ONLZSOYVNGGFCO-BBRMVZONSA-N 1 0 276.380 2.421 10 0 CEAERO CCc1cccc(CC)c1NC(=O)[C@]1(C)COC[C@H]1[NH3+] ZINC000090580283 180008354 /nfs/dbraw/zinc/00/83/54/180008354.db2.gz XDRKNDZQCBAGCH-CZUORRHYSA-N 1 0 276.380 2.114 10 0 CEAERO CCC1CCC(c2noc([C@]3(C)COC[C@H]3[NH3+])n2)CC1 ZINC000090574138 180008435 /nfs/dbraw/zinc/00/84/35/180008435.db2.gz QYJUKOHKGVKUJT-WKQXJPDBSA-N 1 0 279.384 2.369 10 0 CEAERO CN(Cc1ccccc1Cl)C[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090606672 180011230 /nfs/dbraw/zinc/01/12/30/180011230.db2.gz XWRFRKFJAUDOPA-KBPBESRZSA-N 1 0 268.788 2.136 10 0 CEAERO CCN(C[C@@]1(C)COC[C@@H]1[NH3+])c1ccc(F)cc1 ZINC000090620778 180013719 /nfs/dbraw/zinc/01/37/19/180013719.db2.gz JMEXFDJKIXYDBI-KBPBESRZSA-N 1 0 252.333 2.016 10 0 CEAERO COC(C[C@H](C[NH3+])N1CCC2(CCCCC2)CC1)OC ZINC000090625317 180015563 /nfs/dbraw/zinc/01/55/63/180015563.db2.gz CBEFZTUVPGUVBN-CQSZACIVSA-N 1 0 284.444 2.369 10 0 CEAERO C[NH+]1CCN(CCCCc2ccc(C=O)cc2)CC1 ZINC000090669172 180020446 /nfs/dbraw/zinc/02/04/46/180020446.db2.gz UYMGFBAPBDWEGR-UHFFFAOYSA-N 1 0 260.381 2.069 10 0 CEAERO C[C@H](O[C@@H]1COc2ccccc2[C@@H]1[NH3+])C(F)(F)F ZINC000090672516 180020933 /nfs/dbraw/zinc/02/09/33/180020933.db2.gz HQVAIUCKRHGMGM-XROYCOCOSA-N 1 0 261.243 2.415 10 0 CEAERO CCOCCC[NH2+]C[C@@H](C)O[C@@H](C)C(F)(F)F ZINC000090675786 180022363 /nfs/dbraw/zinc/02/23/63/180022363.db2.gz DHWYFWTZSPMKIK-ZJUUUORDSA-N 1 0 257.296 2.359 10 0 CEAERO Nc1nsc(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000090693113 180025189 /nfs/dbraw/zinc/02/51/89/180025189.db2.gz YEYGHQOBTAIPJC-GFCCVEGCSA-N 1 0 289.408 2.197 10 0 CEAERO CC(C)CCNC(=O)[C@H](C)N1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000090693969 180025848 /nfs/dbraw/zinc/02/58/48/180025848.db2.gz LIWCRARXZCMKFL-ARFHVFGLSA-N 1 0 295.471 2.001 10 0 CEAERO CCCN(c1ncncc1Br)[C@@H]1CCC[NH2+]C1 ZINC000090781734 180038502 /nfs/dbraw/zinc/03/85/02/180038502.db2.gz GWZRDKNLQKVXPM-SNVBAGLBSA-N 1 0 299.216 2.208 10 0 CEAERO COc1cc(N(CCC[NH3+])c2ccccc2F)ncn1 ZINC000090783531 180039655 /nfs/dbraw/zinc/03/96/55/180039655.db2.gz FGAGVFPFFMDLDA-UHFFFAOYSA-N 1 0 276.315 2.111 10 0 CEAERO CC(C)Oc1cc(OC[C@H]2CCCC[C@@H]2C[NH3+])ncn1 ZINC000090786354 180040703 /nfs/dbraw/zinc/04/07/03/180040703.db2.gz ZJFBHELWKVEJBH-CHWSQXEVSA-N 1 0 279.384 2.408 10 0 CEAERO CCOc1cc(N(CC)[C@H]2CCC[C@@H]2C[NH3+])nc(C)n1 ZINC000090787967 180041532 /nfs/dbraw/zinc/04/15/32/180041532.db2.gz XQDPRXUIKDLTFO-OLZOCXBDSA-N 1 0 278.400 2.137 10 0 CEAERO COc1cccc([C@H](C)[NH2+]C[C@@H](C)[S@](C)=O)c1 ZINC000090842164 180043321 /nfs/dbraw/zinc/04/33/21/180043321.db2.gz JYFALXBOMBDHPW-VGTOOOLASA-N 1 0 255.383 2.113 10 0 CEAERO C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H](C)[S@](C)=O ZINC000090842134 180043797 /nfs/dbraw/zinc/04/37/97/180043797.db2.gz VJXSNAKWXGAQGS-VGTOOOLASA-N 1 0 257.374 2.113 10 0 CEAERO [NH3+]Cc1nc(-c2nc3cnccc3n2C2CC2)cs1 ZINC000090932875 180066888 /nfs/dbraw/zinc/06/68/88/180066888.db2.gz ZCAHMQOMHPJXCD-UHFFFAOYSA-N 1 0 271.349 2.348 10 0 CEAERO CC[C@H](C)NC(=O)CSc1cccc(C[NH2+]C)c1 ZINC000090870895 180049114 /nfs/dbraw/zinc/04/91/14/180049114.db2.gz JLJRINNENMZLLN-NSHDSACASA-N 1 0 266.410 2.413 10 0 CEAERO C[NH2+]Cc1cccc(S[C@@H]2CCCCNC2=O)c1 ZINC000090870629 180049274 /nfs/dbraw/zinc/04/92/74/180049274.db2.gz NJFZEHFTNADLDT-CYBMUJFWSA-N 1 0 264.394 2.167 10 0 CEAERO CC[NH2+]Cc1cccc(S[C@H](C)C(=O)OC)c1 ZINC000090871173 180049360 /nfs/dbraw/zinc/04/93/60/180049360.db2.gz PSYXAFHCPMEPMD-SNVBAGLBSA-N 1 0 253.367 2.450 10 0 CEAERO c1ccc2c(c1)C[C@H](COCC[C@@H]1CCC[NH2+]C1)O2 ZINC000090875664 180050986 /nfs/dbraw/zinc/05/09/86/180050986.db2.gz JVHSMQBTYKJMEW-DZGCQCFKSA-N 1 0 261.365 2.396 10 0 CEAERO CC(C)C[C@H](CO)[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892318 180054339 /nfs/dbraw/zinc/05/43/39/180054339.db2.gz CVXRJXBIXYQJMT-KGLIPLIRSA-N 1 0 267.344 2.126 10 0 CEAERO CCC[NH2+]CCOC[C@H]1Cc2cc(F)ccc2O1 ZINC000090893696 180054653 /nfs/dbraw/zinc/05/46/53/180054653.db2.gz PWXODCXGZKQMFH-CYBMUJFWSA-N 1 0 253.317 2.145 10 0 CEAERO CO[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892633 180055198 /nfs/dbraw/zinc/05/51/98/180055198.db2.gz GDEOTXKYYWKBNP-KCQAQPDRSA-N 1 0 265.328 2.286 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[NH2+]Cc1ccccn1)O2 ZINC000090897226 180056789 /nfs/dbraw/zinc/05/67/89/180056789.db2.gz HZQRCPFSXUFRKU-OAHLLOKOSA-N 1 0 254.333 2.483 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](C[NH2+]Cc1ccncc1)O2 ZINC000090897285 180057011 /nfs/dbraw/zinc/05/70/11/180057011.db2.gz SUHRPCDKAKFUPQ-HNNXBMFYSA-N 1 0 254.333 2.483 10 0 CEAERO C[NH2+][C@H]1CCCN(C[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000090900090 180058782 /nfs/dbraw/zinc/05/87/82/180058782.db2.gz WTWSZXRFAMNPIK-KBPBESRZSA-N 1 0 280.799 2.327 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](Cn1ccnc1C[C@H](C)[NH3+])O2 ZINC000090901596 180059051 /nfs/dbraw/zinc/05/90/51/180059051.db2.gz PIGCAOASTNFGED-JSGCOSHPSA-N 1 0 271.364 2.085 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](CN1CCC[NH2+]C(C)(C)C1)O2 ZINC000090902508 180059627 /nfs/dbraw/zinc/05/96/27/180059627.db2.gz BADQAYMEJQQUBK-HNNXBMFYSA-N 1 0 274.408 2.372 10 0 CEAERO C[NH2+]Cc1cnc(C)n1C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090901954 180059919 /nfs/dbraw/zinc/05/99/19/180059919.db2.gz OKVCFGPPBSRCNQ-HNNXBMFYSA-N 1 0 271.364 2.223 10 0 CEAERO O[C@@H](C[NH2+]C[C@H]1Cc2cc(Cl)ccc2O1)C1CC1 ZINC000090904775 180060125 /nfs/dbraw/zinc/06/01/25/180060125.db2.gz LODIBKNGPGFOSS-OLZOCXBDSA-N 1 0 267.756 2.004 10 0 CEAERO CC[NH2+]Cc1cn(C[C@H]2Cc3cc(Cl)ccc3O2)nn1 ZINC000090902956 180060311 /nfs/dbraw/zinc/06/03/11/180060311.db2.gz QZCTZAFQALYSNE-CYBMUJFWSA-N 1 0 292.770 2.045 10 0 CEAERO c1cc2c(cc1C[N@H+]1C[C@H]3CC[C@@H](C1)O3)CCCN2 ZINC000090908696 180061682 /nfs/dbraw/zinc/06/16/82/180061682.db2.gz VTXCEMMHZJCLOG-GASCZTMLSA-N 1 0 258.365 2.408 10 0 CEAERO C[NH2+][C@H](CCN1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000090907471 180062371 /nfs/dbraw/zinc/06/23/71/180062371.db2.gz UGZSODIJIBLPST-OWCLPIDISA-N 1 0 260.381 2.200 10 0 CEAERO C[NH2+]CC1(CN2C[C@H]3CC[C@@H](C2)O3)CCC(C)CC1 ZINC000090907558 180062381 /nfs/dbraw/zinc/06/23/81/180062381.db2.gz YOZYLYDANCIDPG-IRHLINNNSA-N 1 0 266.429 2.266 10 0 CEAERO C[C@@H]([NH3+])c1cccc(NC(=O)N2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000090909161 180062934 /nfs/dbraw/zinc/06/29/34/180062934.db2.gz RIXMBNKORVVGQS-HONMWMINSA-N 1 0 275.352 2.101 10 0 CEAERO CCn1c(-c2csc(C[NH3+])n2)nc2cccnc21 ZINC000090932864 180066489 /nfs/dbraw/zinc/06/64/89/180066489.db2.gz VWNWARCMCYSPAH-UHFFFAOYSA-N 1 0 259.338 2.033 10 0 CEAERO [NH3+]CCc1nc(C(=O)Nc2cnc3ccccc3c2)cs1 ZINC000090948228 180071128 /nfs/dbraw/zinc/07/11/28/180071128.db2.gz URBJSILUPZXDRH-UHFFFAOYSA-N 1 0 298.371 2.445 10 0 CEAERO CCC(CC)[C@@H](C)NC(=O)c1csc(CC[NH3+])n1 ZINC000090957055 180073746 /nfs/dbraw/zinc/07/37/46/180073746.db2.gz XGFLZYYNECQFFP-SECBINFHSA-N 1 0 269.414 2.199 10 0 CEAERO [NH3+]CCc1nc(CN(Cc2ccco2)C2CC2)cs1 ZINC000090958349 180074546 /nfs/dbraw/zinc/07/45/46/180074546.db2.gz RMEJARAUPOBLHK-UHFFFAOYSA-N 1 0 277.393 2.402 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+][C@H]1CCN(C2CC2)C1 ZINC000090960517 180075221 /nfs/dbraw/zinc/07/52/21/180075221.db2.gz UPZPRFSHBZWMEW-NSHDSACASA-N 1 0 279.409 2.033 10 0 CEAERO CC(=O)Nc1ccsc1CN[C@H](C)CC[NH+](C)C ZINC000090960469 180075541 /nfs/dbraw/zinc/07/55/41/180075541.db2.gz DVPGJLPLJAZNLH-SNVBAGLBSA-N 1 0 269.414 2.136 10 0 CEAERO C=COCCC[NH2+]Cc1sccc1NC(C)=O ZINC000090959250 180075560 /nfs/dbraw/zinc/07/55/60/180075560.db2.gz QAYVEUCNHHUAGM-UHFFFAOYSA-N 1 0 254.355 2.346 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+]CCOCC(F)(F)F ZINC000090960728 180076298 /nfs/dbraw/zinc/07/62/98/180076298.db2.gz TTYCFIBGOYZIEX-UHFFFAOYSA-N 1 0 296.314 2.375 10 0 CEAERO CC(=O)Nc1ccccc1C[NH2+][C@H]1CCCC[C@@H]1O ZINC000090962550 180076698 /nfs/dbraw/zinc/07/66/98/180076698.db2.gz FIIQYXDYXLZMOV-GJZGRUSLSA-N 1 0 262.353 2.038 10 0 CEAERO COC(=O)C1CC[NH+](C[C@H]2Cc3ccccc32)CC1 ZINC000090981385 180079024 /nfs/dbraw/zinc/07/90/24/180079024.db2.gz ZRDALTAGDAGHBI-CQSZACIVSA-N 1 0 259.349 2.211 10 0 CEAERO O=C([C@@H]1Cc2ccccc21)N1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000090983781 180080137 /nfs/dbraw/zinc/08/01/37/180080137.db2.gz HVMOROIZUAWLGK-IAGOWNOFSA-N 1 0 284.403 2.317 10 0 CEAERO C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1Cc2ccccc21 ZINC000090985557 180080748 /nfs/dbraw/zinc/08/07/48/180080748.db2.gz AENURWPRLMTXRF-HOCLYGCPSA-N 1 0 272.392 2.317 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCCN1C[C@H]1Cc2ccccc21 ZINC000090993371 180082335 /nfs/dbraw/zinc/08/23/35/180082335.db2.gz OJXCCBAXHQFJAU-CZUORRHYSA-N 1 0 270.376 2.069 10 0 CEAERO CC(C)[NH2+][C@H]1CCCN(C[C@@H]2Cc3ccccc32)C1=O ZINC000090993394 180082350 /nfs/dbraw/zinc/08/23/50/180082350.db2.gz GGJTWEYUPWETBU-HOCLYGCPSA-N 1 0 272.392 2.315 10 0 CEAERO NC(=O)c1ccccc1C[NH2+]C[C@H]1Cc2ccccc21 ZINC000090992741 180082513 /nfs/dbraw/zinc/08/25/13/180082513.db2.gz KXAFOUQSGGUUHJ-CQSZACIVSA-N 1 0 266.344 2.215 10 0 CEAERO [NH3+]Cc1cccn1CC(=O)Nc1ccc(Cl)cc1 ZINC000090995166 180082866 /nfs/dbraw/zinc/08/28/66/180082866.db2.gz JCMLFDHMCNSJKF-UHFFFAOYSA-N 1 0 263.728 2.239 10 0 CEAERO CCC[NH2+]Cc1cn(CC(=O)N(C)C)c2ccccc12 ZINC000090995471 180082959 /nfs/dbraw/zinc/08/29/59/180082959.db2.gz NCLJFVADMZKDLI-UHFFFAOYSA-N 1 0 273.380 2.229 10 0 CEAERO CC(C)(C)[NH2+]Cc1cccn1CC(=O)NCC(F)(F)F ZINC000091001689 180083135 /nfs/dbraw/zinc/08/31/35/180083135.db2.gz DRHFZAHIVRQHNJ-UHFFFAOYSA-N 1 0 291.317 2.055 10 0 CEAERO CCC[NH2+]Cc1cccn1CC(=O)N[C@@H](C)CCC ZINC000090996106 180083209 /nfs/dbraw/zinc/08/32/09/180083209.db2.gz UHHZXHQCJVJBTR-ZDUSSCGKSA-N 1 0 265.401 2.293 10 0 CEAERO CC(C)C[NH2+]Cc1cccn1Cc1ncnn1C(C)C ZINC000091001811 180083330 /nfs/dbraw/zinc/08/33/30/180083330.db2.gz BKQPDVKPFRZUDZ-UHFFFAOYSA-N 1 0 275.400 2.454 10 0 CEAERO CC[C@H](C)NC(=O)Cn1ccc(C[NH2+]CC(C)C)c1 ZINC000091004455 180084148 /nfs/dbraw/zinc/08/41/48/180084148.db2.gz DAOIYLJKHBWAEF-ZDUSSCGKSA-N 1 0 265.401 2.148 10 0 CEAERO CC(C)N(C)C(=O)Cn1ccc(C[NH2+]C(C)(C)C)c1 ZINC000091004233 180084236 /nfs/dbraw/zinc/08/42/36/180084236.db2.gz WCWQQKOMFXRUJU-UHFFFAOYSA-N 1 0 265.401 2.243 10 0 CEAERO C[C@@H]([NH3+])Cc1cccn1Cc1nn(C)c2ccccc12 ZINC000091005316 180084706 /nfs/dbraw/zinc/08/47/06/180084706.db2.gz YLMLRGVVMGMVCY-GFCCVEGCSA-N 1 0 268.364 2.313 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccn(Cc2ncnn2CC(C)C)c1 ZINC000091006338 180084743 /nfs/dbraw/zinc/08/47/43/180084743.db2.gz LIJXRMFUYZETLN-CQSZACIVSA-N 1 0 275.400 2.064 10 0 CEAERO CC[C@@H]([NH3+])Cc1cccn1Cc1ncnn1CC(C)C ZINC000091005762 180084760 /nfs/dbraw/zinc/08/47/60/180084760.db2.gz ISGCQHGABJGPOU-CYBMUJFWSA-N 1 0 275.400 2.064 10 0 CEAERO CCN1CCC[C@@H]([NH2+]Cc2c[nH]c3ncccc23)C1 ZINC000091017515 180086821 /nfs/dbraw/zinc/08/68/21/180086821.db2.gz BEUGVEPYUHBELC-CYBMUJFWSA-N 1 0 258.369 2.137 10 0 CEAERO CCCn1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2CO)c1 ZINC000091016019 180086980 /nfs/dbraw/zinc/08/69/80/180086980.db2.gz NOCZILCFGLJVSB-LSDHHAIUSA-N 1 0 250.386 2.396 10 0 CEAERO CC(C)[NH2+]Cc1cn(CCn2ccnc2)c2ncccc12 ZINC000091020540 180087706 /nfs/dbraw/zinc/08/77/06/180087706.db2.gz CXXUUBJSKXPXOL-UHFFFAOYSA-N 1 0 283.379 2.431 10 0 CEAERO COCC[NH2+]Cc1cn(CC(F)(F)F)c2ncccc12 ZINC000091021239 180088673 /nfs/dbraw/zinc/08/86/73/180088673.db2.gz YITOHXLISGTSEC-UHFFFAOYSA-N 1 0 287.285 2.335 10 0 CEAERO [NH3+]CCc1cn(CCC[C@@H]2CCCO2)c2ncccc12 ZINC000091021406 180088700 /nfs/dbraw/zinc/08/87/00/180088700.db2.gz QHTRFFDKFZQTTG-CQSZACIVSA-N 1 0 273.380 2.497 10 0 CEAERO CCn1cccc1C[NH2+]C[C@H]1COc2ccccc2O1 ZINC000091022967 180088837 /nfs/dbraw/zinc/08/88/37/180088837.db2.gz CUQZFBKBBKRICA-AWEZNQCLSA-N 1 0 272.348 2.438 10 0 CEAERO C[C@H]1CCCC[C@@H]1OC(=O)c1csc(CC[NH3+])n1 ZINC000090939621 180068400 /nfs/dbraw/zinc/06/84/00/180068400.db2.gz NUCIOCCGCWUPBN-ONGXEEELSA-N 1 0 268.382 2.380 10 0 CEAERO CCn1cccc1C[NH2+]C[C@@H]1CCCC[C@H]1CO ZINC000091128006 180099528 /nfs/dbraw/zinc/09/95/28/180099528.db2.gz NXXMZQZDTRPESA-KBPBESRZSA-N 1 0 250.386 2.396 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@H](C)[C@H]2CCCC[C@@H]21 ZINC000235314812 539764390 /nfs/dbraw/zinc/76/43/90/539764390.db2.gz RCAXDYAOPBCKFT-RYPNDVFKSA-N 1 0 264.413 2.269 10 0 CEAERO CC1CCC(OC(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000091129935 180101235 /nfs/dbraw/zinc/10/12/35/180101235.db2.gz LZLFLLWPOVIJIG-CXQJBGSLSA-N 1 0 257.399 2.203 10 0 CEAERO CCc1ccc([C@@H](C)[NH2+]CCCS(=O)(=O)N(C)C)cc1 ZINC000104662541 186012908 /nfs/dbraw/zinc/01/29/08/186012908.db2.gz JTPCHVQOGVYGLB-CYBMUJFWSA-N 1 0 298.452 2.181 10 0 CEAERO C[C@@H](NC(=O)C[C@H]1CSCC[NH2+]1)c1cccs1 ZINC000091134408 180102903 /nfs/dbraw/zinc/10/29/03/180102903.db2.gz HEEKLVLWTYQTEV-ZJUUUORDSA-N 1 0 270.423 2.020 10 0 CEAERO C[C@@H]1CN(CCSc2ccc(F)cc2)C[C@@H]1[NH3+] ZINC000235370878 539767046 /nfs/dbraw/zinc/76/70/46/539767046.db2.gz ARAWXSSYAYHBMF-MFKMUULPSA-N 1 0 254.374 2.197 10 0 CEAERO Cc1ccc(CN(C)[C@@H](C[NH3+])CC(=O)NC(C)(C)C)cc1 ZINC000091320805 180133883 /nfs/dbraw/zinc/13/38/83/180133883.db2.gz WCVJYPPLJPKQBR-OAHLLOKOSA-N 1 0 291.439 2.059 10 0 CEAERO CCN(c1cccc(C)c1)[C@H](C[NH3+])CC(=O)N1CCCC1 ZINC000091323336 180134589 /nfs/dbraw/zinc/13/45/89/180134589.db2.gz CVSLXXDNOCAGIN-INIZCTEOSA-N 1 0 289.423 2.161 10 0 CEAERO CCC(CC)C[N@H+](CC)[C@@H](CN)CC(=O)N1CCCC1 ZINC000091323399 180134639 /nfs/dbraw/zinc/13/46/39/180134639.db2.gz IJJSZLNIEDWDQD-OAHLLOKOSA-N 1 0 283.460 2.084 10 0 CEAERO C[C@@H](O)[C@@](C[NH3+])(CC1CCOCC1)c1ccccc1 ZINC000091327855 180135938 /nfs/dbraw/zinc/13/59/38/180135938.db2.gz WHGWWGDOICBFSH-CJNGLKHVSA-N 1 0 263.381 2.081 10 0 CEAERO O=C(NCc1ccco1)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000091358644 180140286 /nfs/dbraw/zinc/14/02/86/180140286.db2.gz GGFZVFXXMAMSME-XBFCOCLRSA-N 1 0 262.353 2.207 10 0 CEAERO Cc1ncsc1CNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000091361240 180140965 /nfs/dbraw/zinc/14/09/65/180140965.db2.gz PHGRCYZINVDRQG-AGIUHOORSA-N 1 0 293.436 2.379 10 0 CEAERO COCCCN(C)C[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091362781 180141549 /nfs/dbraw/zinc/14/15/49/180141549.db2.gz WCGQKGDNNRHQEK-KKUMJFAQSA-N 1 0 254.418 2.266 10 0 CEAERO O=C(Nc1ccc(F)cn1)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091361756 180141674 /nfs/dbraw/zinc/14/16/74/180141674.db2.gz CITVFNOGRGKIMZ-DRZSPHRISA-N 1 0 277.343 2.470 10 0 CEAERO C[C@@H](CO)CSc1nc2ccccc2cc1C[NH3+] ZINC000091259662 180115991 /nfs/dbraw/zinc/11/59/91/180115991.db2.gz SMMWAVPOJXRVCY-JTQLQIEISA-N 1 0 262.378 2.414 10 0 CEAERO CN([C@@H](C[NH3+])c1cncn1C1CC1)C1CCCCC1 ZINC000091276167 180118431 /nfs/dbraw/zinc/11/84/31/180118431.db2.gz MCUUKHQBMNOLEE-AWEZNQCLSA-N 1 0 262.401 2.482 10 0 CEAERO CC(C)(C)N1CCC[C@H]([NH3+])[C@@H]1c1cncn1C1CC1 ZINC000091275637 180118923 /nfs/dbraw/zinc/11/89/23/180118923.db2.gz HZNAHPKIVOYTEB-GXTWGEPZSA-N 1 0 262.401 2.481 10 0 CEAERO C[C@H]1CCCCCN1[C@@H](C[NH3+])c1cncn1C1CC1 ZINC000091276597 180120133 /nfs/dbraw/zinc/12/01/33/180120133.db2.gz YBDCAZZSHRPSFS-JSGCOSHPSA-N 1 0 262.401 2.482 10 0 CEAERO CC[C@@H]1CCCCN1[C@@H](C[NH3+])c1cncn1C1CC1 ZINC000091276219 180120520 /nfs/dbraw/zinc/12/05/20/180120520.db2.gz RVONEDITMSSFNN-OCCSQVGLSA-N 1 0 262.401 2.482 10 0 CEAERO c1cc2c(s1)CCN(CC[C@H]1CSCC[NH2+]1)C2 ZINC000091291955 180123002 /nfs/dbraw/zinc/12/30/02/180123002.db2.gz HOBDFIVICLSYNF-LBPRGKRZSA-N 1 0 268.451 2.201 10 0 CEAERO CC(C)N(CC[C@@H]1CSCC[NH2+]1)CC(F)(F)F ZINC000091292177 180123654 /nfs/dbraw/zinc/12/36/54/180123654.db2.gz UHEYDJDGMUDENE-SNVBAGLBSA-N 1 0 270.364 2.354 10 0 CEAERO COc1ccccc1N(C)CC[C@@H]1CSCC[NH2+]1 ZINC000091292213 180123806 /nfs/dbraw/zinc/12/38/06/180123806.db2.gz DEGSPHNQWRETRO-GFCCVEGCSA-N 1 0 266.410 2.227 10 0 CEAERO CNc1ccc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1C ZINC000091432073 180153507 /nfs/dbraw/zinc/15/35/07/180153507.db2.gz MVTIEJFPUSGBDF-CQSZACIVSA-N 1 0 275.396 2.203 10 0 CEAERO Cc1nc(N2CCC[C@@H]([NH+](C)C)C2)sc1[C@@H](C)O ZINC000091431987 180153688 /nfs/dbraw/zinc/15/36/88/180153688.db2.gz MUEMCOFVYAGPCY-GHMZBOCLSA-N 1 0 269.414 2.035 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(c2nc(C3CC3)c(C=O)s2)C1 ZINC000091449310 180157434 /nfs/dbraw/zinc/15/74/34/180157434.db2.gz CUFDLNKBOFIQAN-LLVKDONJSA-N 1 0 279.409 2.363 10 0 CEAERO C[N@H+](CCCC(=O)c1ccccc1)CC1CC(O)C1 ZINC000091451192 180159079 /nfs/dbraw/zinc/15/90/79/180159079.db2.gz UHMMQGDVLWNBCX-UHFFFAOYSA-N 1 0 261.365 2.352 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)c1ccncc1Cl ZINC000091457087 180160062 /nfs/dbraw/zinc/16/00/62/180160062.db2.gz MYXOXOZFIZLFCX-WDEREUQCSA-N 1 0 281.787 2.338 10 0 CEAERO C[NH2+]CC[C@](C)(O)c1ccccc1OC(F)(F)F ZINC000091470334 180164833 /nfs/dbraw/zinc/16/48/33/180164833.db2.gz ZBXJUWYJGZXNNG-NSHDSACASA-N 1 0 263.259 2.402 10 0 CEAERO CCn1nc(C[C@H](O)C[NH2+]C(C)(C)C)c2ccccc21 ZINC000091469833 180164859 /nfs/dbraw/zinc/16/48/59/180164859.db2.gz ZJBZEXWQLDHSHU-LBPRGKRZSA-N 1 0 275.396 2.348 10 0 CEAERO CN(CC1CC([NH3+])C1)C(=O)Nc1ccc(F)cc1F ZINC000091474231 180165178 /nfs/dbraw/zinc/16/51/78/180165178.db2.gz YVPVZOCPGRNHRX-UHFFFAOYSA-N 1 0 269.295 2.166 10 0 CEAERO CN(CC1CC([NH3+])C1)C(=O)C(C)(C)c1ccccc1 ZINC000091473064 180165251 /nfs/dbraw/zinc/16/52/51/180165251.db2.gz QSYBSQHJHXRRTM-UHFFFAOYSA-N 1 0 260.381 2.160 10 0 CEAERO CN(CC1CC([NH3+])C1)C(=O)c1coc2ccccc12 ZINC000091472345 180165768 /nfs/dbraw/zinc/16/57/68/180165768.db2.gz QWXWSGUYQAVQKF-UHFFFAOYSA-N 1 0 258.321 2.242 10 0 CEAERO CCC[NH2+]Cc1nnnn1-c1cc(C(F)(F)F)ccc1C ZINC000091480989 180166581 /nfs/dbraw/zinc/16/65/81/180166581.db2.gz XWOUPQWZUWKWKS-UHFFFAOYSA-N 1 0 299.300 2.489 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1N1C(=O)CC2(CCCCCC2)C1=O ZINC000091497293 180173142 /nfs/dbraw/zinc/17/31/42/180173142.db2.gz JZRXGMUZZMADDB-OLZOCXBDSA-N 1 0 278.396 2.226 10 0 CEAERO CCC[NH2+][C@H]([C@@H](C)c1ccccn1)C(C)(C)S(C)(=O)=O ZINC000091383451 180143702 /nfs/dbraw/zinc/14/37/02/180143702.db2.gz NIPQURVMXNWOKW-GXTWGEPZSA-N 1 0 298.452 2.377 10 0 CEAERO C[C@H](C(=O)c1ccc(F)cc1)N1CCC[C@H]([NH+](C)C)C1 ZINC000091393197 180145271 /nfs/dbraw/zinc/14/52/71/180145271.db2.gz RUAYAZSTYFVZOI-DOMZBBRYSA-N 1 0 278.371 2.423 10 0 CEAERO C[NH+](C)[C@H]1CCCN(CC(=O)c2cccc(F)c2)C1 ZINC000091395055 180146387 /nfs/dbraw/zinc/14/63/87/180146387.db2.gz JCSVCHSDAMWUHL-AWEZNQCLSA-N 1 0 264.344 2.034 10 0 CEAERO CCOC(=O)[C@@H]1C[C@]12CC[N@H+](Cc1ccccc1)C2 ZINC000104853508 186028795 /nfs/dbraw/zinc/02/87/95/186028795.db2.gz FCWLRKKKNGDVQE-HOCLYGCPSA-N 1 0 259.349 2.462 10 0 CEAERO CC[C@H](NC(=O)C1C[NH2+]C1)c1ccc(Br)cc1 ZINC000091406562 180147830 /nfs/dbraw/zinc/14/78/30/180147830.db2.gz GGYJTEFSJUMWNM-LBPRGKRZSA-N 1 0 297.196 2.236 10 0 CEAERO C[C@@H]1CCC[C@@](CNCc2cnco2)([NH+](C)C)C1 ZINC000091409159 180148237 /nfs/dbraw/zinc/14/82/37/180148237.db2.gz WYCMIPWJIFUOOB-TZMCWYRMSA-N 1 0 251.374 2.275 10 0 CEAERO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C1C[NH2+]C1 ZINC000091408914 180148465 /nfs/dbraw/zinc/14/84/65/180148465.db2.gz RZDBCWBOUQVRGG-GFCCVEGCSA-N 1 0 258.365 2.033 10 0 CEAERO CC(C)N(Cc1ccccc1)c1cncc(C[NH3+])n1 ZINC000091418504 180150006 /nfs/dbraw/zinc/15/00/06/180150006.db2.gz VQYPKHJOFLLIRN-UHFFFAOYSA-N 1 0 256.353 2.350 10 0 CEAERO CCCCN(C)c1cncc(C[NH2+]CC(C)C)n1 ZINC000091418582 180150093 /nfs/dbraw/zinc/15/00/93/180150093.db2.gz XJERUILWSKIJTG-UHFFFAOYSA-N 1 0 250.390 2.459 10 0 CEAERO C[NH2+]Cc1cncc(N2CCC[C@@H]2C2CCCC2)n1 ZINC000091420176 180150861 /nfs/dbraw/zinc/15/08/61/180150861.db2.gz PTWQFQHSTJFUBR-CQSZACIVSA-N 1 0 260.385 2.355 10 0 CEAERO CCC[NH2+]Cc1cncc(N(CCOC)CC(C)C)n1 ZINC000091419959 180150973 /nfs/dbraw/zinc/15/09/73/180150973.db2.gz FHUJIBCGTBDRDG-UHFFFAOYSA-N 1 0 280.416 2.085 10 0 CEAERO CCn1nc(C)c(N)c1NCC[NH+]1CCCCCC1 ZINC000091557651 180190854 /nfs/dbraw/zinc/19/08/54/180190854.db2.gz GGDQNGLQQQZRAY-UHFFFAOYSA-N 1 0 265.405 2.082 10 0 CEAERO CC[C@H](C)N1C(=O)C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1=O ZINC000105076636 186040882 /nfs/dbraw/zinc/04/08/82/186040882.db2.gz TVZQGIFGLSYTOZ-MJVIPROJSA-N 1 0 292.354 2.402 10 0 CEAERO C[NH2+][C@H](c1cc(C)cnc1N)C(C)(C)N1CCCCC1 ZINC000091564927 180193381 /nfs/dbraw/zinc/19/33/81/180193381.db2.gz DKEKSLPTZAJJEW-CQSZACIVSA-N 1 0 276.428 2.497 10 0 CEAERO CC(C)([C@H](O)Cc1cccc(Cl)c1)[NH+]1CCOCC1 ZINC000091565721 180193714 /nfs/dbraw/zinc/19/37/14/180193714.db2.gz OJDAPTCARJTDKD-CQSZACIVSA-N 1 0 283.799 2.354 10 0 CEAERO Cn1cc(CC(=O)C(C)(C)[NH+]2CCCCCC2)cn1 ZINC000091567308 180194554 /nfs/dbraw/zinc/19/45/54/180194554.db2.gz ZMYYXTSWLBKULH-UHFFFAOYSA-N 1 0 263.385 2.186 10 0 CEAERO CCc1nn(C)c(CC(=O)[C@](C)(CC)[NH+](C)C)c1Cl ZINC000091568927 180195059 /nfs/dbraw/zinc/19/50/59/180195059.db2.gz FVQNEHIPLHRPID-AWEZNQCLSA-N 1 0 285.819 2.478 10 0 CEAERO CC[C@@](C)([C@@H](O)c1ccc2c(c1)OCCO2)[NH+](C)C ZINC000091569302 180195323 /nfs/dbraw/zinc/19/53/23/180195323.db2.gz VDJALYDEQMICQV-GJZGRUSLSA-N 1 0 265.353 2.222 10 0 CEAERO CC[C@](C)([C@H](N)Cc1ncc(C)c(OC)c1C)[NH+](C)C ZINC000091569693 180195574 /nfs/dbraw/zinc/19/55/74/180195574.db2.gz BBLLNWPIIYFQPQ-GDBMZVCRSA-N 1 0 279.428 2.307 10 0 CEAERO CC[C@@](C)([C@H](N)c1ccc2c(c1)OCCO2)[NH+](C)C ZINC000091569880 180195769 /nfs/dbraw/zinc/19/57/69/180195769.db2.gz XPGWPINFESZMKG-CABCVRRESA-N 1 0 264.369 2.188 10 0 CEAERO CCc1cc(C[C@@H]([NH2+]C)[C@](C)(CC)N(C)C)n(CC)n1 ZINC000091570639 180195785 /nfs/dbraw/zinc/19/57/85/180195785.db2.gz QCEJFZJEJHNSIA-CVEARBPZSA-N 1 0 280.460 2.326 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@@H](N)Cc1ccnc(N)c1 ZINC000091573554 180196036 /nfs/dbraw/zinc/19/60/36/180196036.db2.gz BYWUQAUKIVVUNS-ZFWWWQNUSA-N 1 0 264.417 2.044 10 0 CEAERO CCC[NH2+][C@H](c1cncnc1)[C@@](C)(CC)N(C)C ZINC000091571765 180196088 /nfs/dbraw/zinc/19/60/88/180196088.db2.gz JCQNYKJAEOXTDM-ZIAGYGMSSA-N 1 0 250.390 2.248 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)C(=O)Cc1cccnc1N ZINC000091572599 180196170 /nfs/dbraw/zinc/19/61/70/180196170.db2.gz QRCFUFXYIZCOTO-OAHLLOKOSA-N 1 0 263.385 2.286 10 0 CEAERO CCn1cc([C@H](O)[C@](C)(CC)[NH+](CC)CC)cn1 ZINC000091572858 180196250 /nfs/dbraw/zinc/19/62/50/180196250.db2.gz NGVPNPMPXNEXFX-KBPBESRZSA-N 1 0 253.390 2.447 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@@H](N)Cc1ccnc(N)c1 ZINC000091573555 180196594 /nfs/dbraw/zinc/19/65/94/180196594.db2.gz BYWUQAUKIVVUNS-DZGCQCFKSA-N 1 0 264.417 2.044 10 0 CEAERO CC(C)c1nn(C)c(N[C@@H](C[NH+](C)C)C(C)C)c1N ZINC000091582962 180199265 /nfs/dbraw/zinc/19/92/65/180199265.db2.gz CGQJLWXPNRQELE-NSHDSACASA-N 1 0 267.421 2.124 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@H](N)Cc1ncnn1C(C)C ZINC000091598918 180202577 /nfs/dbraw/zinc/20/25/77/180202577.db2.gz JSGFJVAVFDOUSQ-HIFRSBDPSA-N 1 0 281.448 2.239 10 0 CEAERO CCn1ccnc1[C@@H](O)[C@](C)(CC)[NH+]1CCCC1 ZINC000091602761 180203618 /nfs/dbraw/zinc/20/36/18/180203618.db2.gz XYYZFWDRBXLIAB-OCCSQVGLSA-N 1 0 251.374 2.201 10 0 CEAERO CC[C@](C)([C@@H](NC)c1ccnn1C)[NH+]1CCCCC1 ZINC000091609868 180205079 /nfs/dbraw/zinc/20/50/79/180205079.db2.gz GAYIBFIVBWQTLI-LSDHHAIUSA-N 1 0 264.417 2.335 10 0 CEAERO CC[C@](C)([C@H](O)Cc1ccnc(N)c1)[NH+]1CCCCC1 ZINC000091608486 180205301 /nfs/dbraw/zinc/20/53/01/180205301.db2.gz MGIFBLUHULQLPM-GDBMZVCRSA-N 1 0 277.412 2.222 10 0 CEAERO CC[C@](C)([C@@H](O)Cc1ccnc(N)c1)[NH+]1CCCCC1 ZINC000091608488 180205619 /nfs/dbraw/zinc/20/56/19/180205619.db2.gz MGIFBLUHULQLPM-GOEBONIOSA-N 1 0 277.412 2.222 10 0 CEAERO CC[C@@](C)([C@H](N)c1cnn(C)c1)[NH+]1CCCCC1 ZINC000091609269 180205751 /nfs/dbraw/zinc/20/57/51/180205751.db2.gz MHIGEWKRKCQKHH-KGLIPLIRSA-N 1 0 250.390 2.075 10 0 CEAERO CC[C@](C)([C@@H](Cc1cnn(C)c1)[NH2+]C)N1CCCCC1 ZINC000091609698 180205904 /nfs/dbraw/zinc/20/59/04/180205904.db2.gz RIIBHZPKSFRXFL-HZPDHXFCSA-N 1 0 278.444 2.205 10 0 CEAERO CC[C@](C)([C@H](O)Cc1ccc(C)cc1)[NH+]1CCOCC1 ZINC000091611326 180206662 /nfs/dbraw/zinc/20/66/62/180206662.db2.gz UFJYYANPWVCQAQ-IAGOWNOFSA-N 1 0 277.408 2.399 10 0 CEAERO CC[C@](C)([C@H]([NH3+])Cc1cccc(F)c1)N1CCOCC1 ZINC000091611862 180206714 /nfs/dbraw/zinc/20/67/14/180206714.db2.gz JZPRHLAGVIXLPU-HZPDHXFCSA-N 1 0 280.387 2.196 10 0 CEAERO CC[C@@](C)([C@H]([NH3+])c1ccc(C)cc1)N1CCOCC1 ZINC000091611653 180206798 /nfs/dbraw/zinc/20/67/98/180206798.db2.gz IDORQKXWNVHMDC-CVEARBPZSA-N 1 0 262.397 2.496 10 0 CEAERO CC[C@@](C)([C@H](CCC1CC1)[NH2+]C)N1CCOCC1 ZINC000091612547 180206954 /nfs/dbraw/zinc/20/69/54/180206954.db2.gz SBLVMAQGDCSSRW-GJZGRUSLSA-N 1 0 254.418 2.266 10 0 CEAERO CCCn1cc([C@@H]([NH2+]C)[C@@](C)(CC)N2CCOCC2)cn1 ZINC000091612654 180207055 /nfs/dbraw/zinc/20/70/55/180207055.db2.gz NMAPJODUBDSNPG-HZPDHXFCSA-N 1 0 294.443 2.055 10 0 CEAERO CC[NH+](CC)C(CC)(CC)[C@@H](N)c1cnn(C)c1 ZINC000091615962 180207873 /nfs/dbraw/zinc/20/78/73/180207873.db2.gz HHAPCEFBWXQLLQ-ZDUSSCGKSA-N 1 0 252.406 2.321 10 0 CEAERO CC[NH+](CC)C(CC)(CC)[C@@H](O)Cc1cccnc1N ZINC000091615670 180208083 /nfs/dbraw/zinc/20/80/83/180208083.db2.gz OABYZEJWJBASKF-AWEZNQCLSA-N 1 0 279.428 2.468 10 0 CEAERO COCC[NH2+]CC[C@@](C)(O)c1cc(C)c(C)cc1C ZINC000091504397 180175499 /nfs/dbraw/zinc/17/54/99/180175499.db2.gz VJEDDXVYCSCMMX-MRXNPFEDSA-N 1 0 265.397 2.445 10 0 CEAERO COCC[NH2+]CC[C@](C)(O)Cc1ccc(Cl)s1 ZINC000091519480 180178074 /nfs/dbraw/zinc/17/80/74/180178074.db2.gz CTKHYTGFKHXGSM-LBPRGKRZSA-N 1 0 277.817 2.321 10 0 CEAERO Cc1ccc2c(c1)nc(C[C@@](C)(O)C[NH3+])n2C(C)C ZINC000091522012 180178349 /nfs/dbraw/zinc/17/83/49/180178349.db2.gz CZPGDMOONNELRC-OAHLLOKOSA-N 1 0 261.369 2.178 10 0 CEAERO O[C@H](C[NH2+]CC1CC(O)C1)c1cc(Cl)ccc1Cl ZINC000091524894 180179190 /nfs/dbraw/zinc/17/91/90/180179190.db2.gz ABIOEMHOHMXNAD-QDPIBXHXSA-N 1 0 290.190 2.387 10 0 CEAERO COc1ccc(CC[C@@H](O)C(C)(C)[NH+](C)C)cc1 ZINC000091528171 180179811 /nfs/dbraw/zinc/17/98/11/180179811.db2.gz YREHULXIUWZEBS-CQSZACIVSA-N 1 0 251.370 2.329 10 0 CEAERO CCn1nc(C)cc1C[C@H](O)C(C)(C)[NH+](CC)CC ZINC000091529888 180180648 /nfs/dbraw/zinc/18/06/48/180180648.db2.gz AANQKYONKFNNQG-AWEZNQCLSA-N 1 0 267.417 2.235 10 0 CEAERO CC[NH2+][C@@H](Cc1csc(C)n1)C(C)(C)N(C)C ZINC000091529086 180180773 /nfs/dbraw/zinc/18/07/73/180180773.db2.gz KSFFTLIYDKXPCT-LBPRGKRZSA-N 1 0 255.431 2.312 10 0 CEAERO Cc1nn(C)c(C[C@H](O)C(C)(C)[NH+]2CCCC2)c1Cl ZINC000091533418 180181378 /nfs/dbraw/zinc/18/13/78/180181378.db2.gz KNSNKNIPMQXIGQ-LBPRGKRZSA-N 1 0 285.819 2.160 10 0 CEAERO CCC[NH2+][C@@H](Cc1ncnn1CC)C(C)(C)N(CC)CC ZINC000091532399 180181551 /nfs/dbraw/zinc/18/15/51/180181551.db2.gz MIZLYCQDOSMECI-AWEZNQCLSA-N 1 0 295.475 2.329 10 0 CEAERO CC[NH2+][C@H](c1cccnc1N)C(C)(C)N(CC)CC ZINC000091531842 180181660 /nfs/dbraw/zinc/18/16/60/180181660.db2.gz UMNLKXWNXMGIAO-CYBMUJFWSA-N 1 0 264.417 2.435 10 0 CEAERO CCCn1ccnc1[C@@H](NC)C(C)(C)[NH+]1CCCC1 ZINC000091534857 180182496 /nfs/dbraw/zinc/18/24/96/180182496.db2.gz SCWLTBXBXHUJHT-CYBMUJFWSA-N 1 0 264.417 2.428 10 0 CEAERO Cc1ccc(CN(C)C(=O)[C@H]2CC[C@@H]([NH3+])C2)c(C)c1 ZINC000091542237 180184337 /nfs/dbraw/zinc/18/43/37/180184337.db2.gz CMWXZNVMAUKHCM-DZGCQCFKSA-N 1 0 260.381 2.389 10 0 CEAERO CN(CCOc1ccc(Cl)cc1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091543035 180184600 /nfs/dbraw/zinc/18/46/00/180184600.db2.gz HCEHDGXZSQXRBG-YPMHNXCESA-N 1 0 296.798 2.305 10 0 CEAERO [NH3+][C@H]1CC[C@H](C(=O)Nc2cccc3cnccc32)C1 ZINC000091543517 180184930 /nfs/dbraw/zinc/18/49/30/180184930.db2.gz UCUNGJLQWVSOME-JQWIXIFHSA-N 1 0 255.321 2.301 10 0 CEAERO CCc1nc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)sc1C ZINC000091543339 180184960 /nfs/dbraw/zinc/18/49/60/180184960.db2.gz WCTZVZYPCKKBNJ-IUCAKERBSA-N 1 0 253.371 2.080 10 0 CEAERO [NH3+][C@H]1CC[C@@H](C(=O)Nc2cccc3cnccc32)C1 ZINC000091543516 180185069 /nfs/dbraw/zinc/18/50/69/180185069.db2.gz UCUNGJLQWVSOME-PWSUYJOCSA-N 1 0 255.321 2.301 10 0 CEAERO Cc1ccnc(Cl)c1NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091543890 180185189 /nfs/dbraw/zinc/18/51/89/180185189.db2.gz ZIPGLRZXRRUAIB-IUCAKERBSA-N 1 0 253.733 2.109 10 0 CEAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CCC3(CCCC3)CC2)C1 ZINC000091549131 180188116 /nfs/dbraw/zinc/18/81/16/180188116.db2.gz QBIDAKVHWQCRKQ-QWHCGFSZSA-N 1 0 250.386 2.297 10 0 CEAERO [NH3+][C@H]1CC[C@@H](C(=O)N(Cc2ccsc2)C2CC2)C1 ZINC000091549054 180188357 /nfs/dbraw/zinc/18/83/57/180188357.db2.gz NAHUMFHZWDWBSC-NEPJUHHUSA-N 1 0 264.394 2.367 10 0 CEAERO CCN(CC)C1([C@H](Cc2ccnc(N)c2)[NH2+]C)CCCC1 ZINC000091639437 180211951 /nfs/dbraw/zinc/21/19/51/180211951.db2.gz XFQSZAJKHMDYTR-HNNXBMFYSA-N 1 0 290.455 2.449 10 0 CEAERO N[C@H]([C@@H]1CCOC1)C1([NH+]2CCCCC2)CCCC1 ZINC000091641832 180212982 /nfs/dbraw/zinc/21/29/82/180212982.db2.gz DLISJRKMHDDZHO-ZIAGYGMSSA-N 1 0 252.402 2.149 10 0 CEAERO Nc1ccncc1C[C@H](N)C1([NH+]2CCCCC2)CCCC1 ZINC000091641861 180213296 /nfs/dbraw/zinc/21/32/96/180213296.db2.gz AEJOAHGPUSFIAL-INIZCTEOSA-N 1 0 288.439 2.332 10 0 CEAERO CCn1cc(C[C@@H](N)C2([NH+]3CCCC3)CCCC2)cn1 ZINC000091640589 180213363 /nfs/dbraw/zinc/21/33/63/180213363.db2.gz POWFYHPOXPNUGQ-OAHLLOKOSA-N 1 0 276.428 2.181 10 0 CEAERO Nc1ccncc1[C@@H](O)C1([NH+]2CCCC2)CCCC1 ZINC000091640454 180213370 /nfs/dbraw/zinc/21/33/70/180213370.db2.gz SBRBXJNLDBJSEM-CQSZACIVSA-N 1 0 261.369 2.106 10 0 CEAERO O[C@H](c1cccs1)C1([NH+]2CCOCC2)CCCC1 ZINC000091642604 180213793 /nfs/dbraw/zinc/21/37/93/180213793.db2.gz LUHISSSGTDYNSM-CYBMUJFWSA-N 1 0 267.394 2.427 10 0 CEAERO O[C@H](Cc1ccc(F)cc1)C1([NH+]2CCOCC2)CCCC1 ZINC000091642767 180214194 /nfs/dbraw/zinc/21/41/94/180214194.db2.gz BNMARVIXXSVRDS-MRXNPFEDSA-N 1 0 293.382 2.374 10 0 CEAERO Cc1ccncc1[C@H]([NH3+])C1(N2CCOCC2)CCCC1 ZINC000091643033 180214222 /nfs/dbraw/zinc/21/42/22/180214222.db2.gz PUFKHCDCWNXUCA-HNNXBMFYSA-N 1 0 275.396 2.035 10 0 CEAERO Cc1cnc(N)c([C@@H](N)C2([NH+](C)C)CCC(C)CC2)c1 ZINC000091648758 180216269 /nfs/dbraw/zinc/21/62/69/180216269.db2.gz BDKHMBKHUZJKHV-OFWKBQFLSA-N 1 0 276.428 2.483 10 0 CEAERO C[NH2+][C@@H](Cc1cc(C)nn1C)C1(N(C)C)CCC(C)CC1 ZINC000091649203 180216270 /nfs/dbraw/zinc/21/62/70/180216270.db2.gz LFGYOUVEAKLISB-PWZRNIHTSA-N 1 0 292.471 2.370 10 0 CEAERO CC1CCC([C@H](O)c2cnccc2N)([NH+](C)C)CC1 ZINC000091648665 180216414 /nfs/dbraw/zinc/21/64/14/180216414.db2.gz BYLVXPAHCZBASL-XGTXGMFGSA-N 1 0 263.385 2.208 10 0 CEAERO C[NH2+][C@@H](Cc1cnn(C)c1)C1(N(C)C)CCC(C)CC1 ZINC000091649108 180216478 /nfs/dbraw/zinc/21/64/78/180216478.db2.gz ZWSXXXPADDCLPN-SIWZUTFBSA-N 1 0 278.444 2.061 10 0 CEAERO C[NH+](C)C1([C@@H](N)c2cnccc2N)CCCCCC1 ZINC000091654146 180217070 /nfs/dbraw/zinc/21/70/70/180217070.db2.gz DVJZGSKOFPLWRT-AWEZNQCLSA-N 1 0 262.401 2.318 10 0 CEAERO CC(C)n1ncnc1C[C@@H](N)C1([NH+](C)C)CCCCCC1 ZINC000091654351 180217108 /nfs/dbraw/zinc/21/71/08/180217108.db2.gz VWRIQJMWCBJJCO-CQSZACIVSA-N 1 0 293.459 2.383 10 0 CEAERO C[NH2+][C@H](c1cccnc1N)[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC000091652989 180217245 /nfs/dbraw/zinc/21/72/45/180217245.db2.gz UHAILZQTVADIMO-XPKDYRNWSA-N 1 0 276.428 2.435 10 0 CEAERO C[NH+](C)C1(C(=O)Cc2cccnc2N)CCCCCC1 ZINC000091653651 180217281 /nfs/dbraw/zinc/21/72/81/180217281.db2.gz GZXUPOQCKKFZKQ-UHFFFAOYSA-N 1 0 275.396 2.430 10 0 CEAERO CC[NH+](CC)[C@@H]1CCN(c2nc(Cl)ncc2F)C1 ZINC000091655677 180218004 /nfs/dbraw/zinc/21/80/04/180218004.db2.gz JHTIINCGSRFJHN-SECBINFHSA-N 1 0 272.755 2.190 10 0 CEAERO CC[C@H](NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccco1 ZINC000091662294 180219326 /nfs/dbraw/zinc/21/93/26/180219326.db2.gz ALZTVOLRKGUFSL-RDBSUJKOSA-N 1 0 264.369 2.184 10 0 CEAERO CC[NH2+][C@H](CCC(F)(F)F)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091722013 180239419 /nfs/dbraw/zinc/23/94/19/180239419.db2.gz DHTJQOKQQKQLDC-UTUOFQBUSA-N 1 0 280.334 2.170 10 0 CEAERO CC[NH+](CC)CCC(=O)Cc1ccn(C(C)C)n1 ZINC000091688065 180226687 /nfs/dbraw/zinc/22/66/87/180226687.db2.gz CIKOWUBBFNBUJF-UHFFFAOYSA-N 1 0 251.374 2.308 10 0 CEAERO C[C@H](Cc1cncs1)N1CC2(CC[NH2+]CC2)CCC1=O ZINC000091706900 180230478 /nfs/dbraw/zinc/23/04/78/180230478.db2.gz SBVJBAGNUBHBES-GFCCVEGCSA-N 1 0 293.436 2.066 10 0 CEAERO CCCN[C@@H](CC[NH+](CC)CC)c1cncnc1 ZINC000091716760 180232693 /nfs/dbraw/zinc/23/26/93/180232693.db2.gz PECHRNVRGWHIQZ-AWEZNQCLSA-N 1 0 250.390 2.249 10 0 CEAERO CC[NH2+][C@@H](Cc1cc(C)cc(C)c1)[C@@H]1CN(C)CCO1 ZINC000091718874 180233155 /nfs/dbraw/zinc/23/31/55/180233155.db2.gz QPZWWWBBYWTBTQ-IRXDYDNUSA-N 1 0 276.424 2.155 10 0 CEAERO CC[NH2+][C@H](Cc1ccc(C)c(C)c1)[C@@H]1CN(C)CCO1 ZINC000091718595 180233338 /nfs/dbraw/zinc/23/33/38/180233338.db2.gz NLSHBZYLNZMFIV-SJORKVTESA-N 1 0 276.424 2.155 10 0 CEAERO CCC[NH2+][C@H](c1cc(F)cc(F)c1)[C@@H]1CN(C)CCO1 ZINC000091719279 180234325 /nfs/dbraw/zinc/23/43/25/180234325.db2.gz BXENFVHRBAJWAJ-LSDHHAIUSA-N 1 0 284.350 2.336 10 0 CEAERO C[NH2+][C@H](CCc1cccs1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721097 180235169 /nfs/dbraw/zinc/23/51/69/180235169.db2.gz YNANTHJCWKANRV-YUELXQCFSA-N 1 0 280.437 2.132 10 0 CEAERO C[NH2+][C@H](c1cc(C)cc(C)c1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091720916 180235478 /nfs/dbraw/zinc/23/54/78/180235478.db2.gz XAMZAOYBEHVMOX-BRWVUGGUSA-N 1 0 274.408 2.427 10 0 CEAERO CCC[C@H](C)C[C@H]([NH2+]C)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721057 180236191 /nfs/dbraw/zinc/23/61/91/180236191.db2.gz JOHLVKMVXWXDAF-XGUBFFRZSA-N 1 0 254.418 2.264 10 0 CEAERO C[NH2+][C@H](Cc1cccc(Cl)c1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721451 180237722 /nfs/dbraw/zinc/23/77/22/180237722.db2.gz AJPMILQUZFZYDF-BZUAXINKSA-N 1 0 294.826 2.334 10 0 CEAERO CC1(C)CC([NH2+][C@H]2CCOC[C@H]2O)CC(C)(C)C1 ZINC000624238749 350241420 /nfs/dbraw/zinc/24/14/20/350241420.db2.gz XXQJTWZDYGTROV-QWHCGFSZSA-N 1 0 255.402 2.331 10 0 CEAERO O=C1N(Cc2cccc3ccccc32)C[C@@H]2C[NH2+]CCN12 ZINC000091750552 180245809 /nfs/dbraw/zinc/24/58/09/180245809.db2.gz CIHPHBDKRKNSLF-HNNXBMFYSA-N 1 0 281.359 2.049 10 0 CEAERO CCc1ccc(C(=O)N[C@H](C[NH3+])Cc2ccccc2)o1 ZINC000091777293 180251699 /nfs/dbraw/zinc/25/16/99/180251699.db2.gz WRAYLUNXJNKKKK-ZDUSSCGKSA-N 1 0 272.348 2.142 10 0 CEAERO CC[NH2+][C@@H](C)c1cccn1CC(=O)N[C@H](C)C(C)C ZINC000091801758 180258766 /nfs/dbraw/zinc/25/87/66/180258766.db2.gz GHPSPUROQDKHTD-OLZOCXBDSA-N 1 0 265.401 2.319 10 0 CEAERO C[NH2+][C@H](C)c1cccn1CCOCC(F)(F)F ZINC000091800595 180258860 /nfs/dbraw/zinc/25/88/60/180258860.db2.gz VEAHRQXQZYUNLJ-SECBINFHSA-N 1 0 250.264 2.347 10 0 CEAERO CC[NH2+][C@@H](C)c1cccn1CC(=O)N1CCCCC1 ZINC000091801610 180259052 /nfs/dbraw/zinc/25/90/52/180259052.db2.gz GQYADGTVIHVWFF-ZDUSSCGKSA-N 1 0 263.385 2.171 10 0 CEAERO CCC[NH2+][C@H](c1cncc(F)c1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091722303 180240122 /nfs/dbraw/zinc/24/01/22/180240122.db2.gz HBIMKNOJHSPPFA-BZUAXINKSA-N 1 0 293.386 2.125 10 0 CEAERO Cc1cc(C)c(C[NH2+]C[C@@H]2CN(C)CCO2)c(C)c1 ZINC000105472289 186059171 /nfs/dbraw/zinc/05/91/71/186059171.db2.gz OMGDLHRMTDXLMP-OAHLLOKOSA-N 1 0 262.397 2.032 10 0 CEAERO Cc1noc(CC[NH2+]Cc2ccccc2Cl)n1 ZINC000105470118 186059384 /nfs/dbraw/zinc/05/93/84/186059384.db2.gz IYHFOEYYJZCPSA-UHFFFAOYSA-N 1 0 251.717 2.364 10 0 CEAERO Cc1cc(C)c(C[NH2+]C[C@H]2CN(C)CCO2)c(C)c1 ZINC000105472293 186059562 /nfs/dbraw/zinc/05/95/62/186059562.db2.gz OMGDLHRMTDXLMP-HNNXBMFYSA-N 1 0 262.397 2.032 10 0 CEAERO CCC[NH2+][C@H](C)[C@H](c1nc(CN(C)C)no1)C(C)C ZINC000091747682 180245047 /nfs/dbraw/zinc/24/50/47/180245047.db2.gz JZYZKRHMAZMRKX-DGCLKSJQSA-N 1 0 268.405 2.259 10 0 CEAERO CCCOc1cc(N(CC)C2CCC([NH3+])CC2)ncn1 ZINC000091851346 180272993 /nfs/dbraw/zinc/27/29/93/180272993.db2.gz GJLCUNLSQWTJPZ-UHFFFAOYSA-N 1 0 278.400 2.362 10 0 CEAERO C[N@H+](CCN1CCCCC1)C1CCC2(CC1)OCCO2 ZINC000091853599 180273470 /nfs/dbraw/zinc/27/34/70/180273470.db2.gz VXSUELSCBCVQDH-UHFFFAOYSA-N 1 0 282.428 2.090 10 0 CEAERO CCC[C@H](C)NC(=O)[C@@H](C)[N@H+](C)C1CCC(=O)CC1 ZINC000091854070 180273573 /nfs/dbraw/zinc/27/35/73/180273573.db2.gz DAGVYMZFLNUROH-NWDGAFQWSA-N 1 0 268.401 2.123 10 0 CEAERO CC[NH2+]C1CCC(N(C)C(=O)CC[C@@H]2CCCO2)CC1 ZINC000091854585 180274463 /nfs/dbraw/zinc/27/44/63/180274463.db2.gz AKNXHSCYXCXZRP-NRXISQOPSA-N 1 0 282.428 2.325 10 0 CEAERO CCC[NH2+][C@H](C)c1cccn1CC(=O)NCC(C)C ZINC000091803095 180259866 /nfs/dbraw/zinc/25/98/66/180259866.db2.gz GSUUBAOYOAGHQI-CYBMUJFWSA-N 1 0 265.401 2.321 10 0 CEAERO CC[NH2+][C@H](C)c1ccn(CC(=O)NCCC(C)C)c1 ZINC000091805170 180259996 /nfs/dbraw/zinc/25/99/96/180259996.db2.gz OEFWEJIVZJRMKE-CYBMUJFWSA-N 1 0 265.401 2.321 10 0 CEAERO CCC[NH2+][C@@H](C)c1cccn1Cc1ncnn1CC ZINC000091803219 180260162 /nfs/dbraw/zinc/26/01/62/180260162.db2.gz CRXNOTADGRNSIV-LBPRGKRZSA-N 1 0 261.373 2.208 10 0 CEAERO CCC[NH2+][C@H](C)c1ccn(CCC(=O)N(C)C)c1 ZINC000091805952 180260409 /nfs/dbraw/zinc/26/04/09/180260409.db2.gz ZDZKJAHRPWJYBW-GFCCVEGCSA-N 1 0 251.374 2.027 10 0 CEAERO CC[NH2+][C@H](C)c1ccn(CC(=O)NC(CC)CC)c1 ZINC000091805637 180260513 /nfs/dbraw/zinc/26/05/13/180260513.db2.gz SEGVAKFHCXVJNN-GFCCVEGCSA-N 1 0 265.401 2.463 10 0 CEAERO CC[NH2+][C@H](CC)c1ccn(CC(=O)NCC(F)(F)F)c1 ZINC000091817354 180263174 /nfs/dbraw/zinc/26/31/74/180263174.db2.gz UBSDERKNTDLDCO-LLVKDONJSA-N 1 0 291.317 2.227 10 0 CEAERO CC[C@H]([NH2+]C)c1ccn(CC(=O)NC(C)(C)CC)c1 ZINC000091816851 180263277 /nfs/dbraw/zinc/26/32/77/180263277.db2.gz JTUVVDRREAJJSG-ZDUSSCGKSA-N 1 0 265.401 2.463 10 0 CEAERO CCCCNC(=O)Cn1ccc([C@H](CCC)[NH2+]C)c1 ZINC000091822005 180263915 /nfs/dbraw/zinc/26/39/15/180263915.db2.gz QSKKWVRLOHVIOR-AWEZNQCLSA-N 1 0 265.401 2.465 10 0 CEAERO C[NH2+][C@H](c1ccn(CC(=O)NC(C)(C)C)c1)C(C)C ZINC000091827011 180264457 /nfs/dbraw/zinc/26/44/57/180264457.db2.gz IZZJPADHUYHEQU-AWEZNQCLSA-N 1 0 265.401 2.319 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)/C=C\c3cccc(F)c3)C[C@H]12 ZINC000493685475 290893373 /nfs/dbraw/zinc/89/33/73/290893373.db2.gz DTTLGYSVVPNSMD-CIGCXVDBSA-N 1 0 274.339 2.035 10 0 CEAERO C[NH2+][C@@H](c1ccn(CCC(=O)NC(C)C)c1)C(C)C ZINC000091826546 180264871 /nfs/dbraw/zinc/26/48/71/180264871.db2.gz QEASXULRDPJWDA-OAHLLOKOSA-N 1 0 265.401 2.319 10 0 CEAERO CCC[NH2+][C@H](c1ccn(CC(=O)N(C)C)c1)C(C)C ZINC000091828154 180265057 /nfs/dbraw/zinc/26/50/57/180265057.db2.gz CGGAAEAJERQVJY-HNNXBMFYSA-N 1 0 265.401 2.273 10 0 CEAERO C[C@@H]1CN(Cc2nc(-c3ccoc3)no2)CCS1 ZINC000105614554 186066175 /nfs/dbraw/zinc/06/61/75/186066175.db2.gz NNCPVBDTJYBRPC-SECBINFHSA-N 1 0 265.338 2.267 10 0 CEAERO CCN(C(=O)CCc1ccco1)C1CCC([NH3+])CC1 ZINC000091850424 180271728 /nfs/dbraw/zinc/27/17/28/180271728.db2.gz SURRVESVXAJYQT-UHFFFAOYSA-N 1 0 264.369 2.331 10 0 CEAERO C[NH2+][C@@H]1COC[C@H]1c1nc2ccc(F)cc2s1 ZINC000091939595 180289128 /nfs/dbraw/zinc/28/91/28/180289128.db2.gz HGKBDDCIYPPCOK-PSASIEDQSA-N 1 0 252.314 2.137 10 0 CEAERO COCC[NH2+]Cc1ncoc1-c1ccc(OC)cc1OC ZINC000091959529 180292333 /nfs/dbraw/zinc/29/23/33/180292333.db2.gz BTCWHKBBTLFQDF-UHFFFAOYSA-N 1 0 292.335 2.095 10 0 CEAERO O=C(N1CCCCC1)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000091969467 180294560 /nfs/dbraw/zinc/29/45/60/180294560.db2.gz CDZUUAKUBPUOFH-KGLIPLIRSA-N 1 0 265.401 2.199 10 0 CEAERO O=C(N1CCCCC1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000091969430 180294637 /nfs/dbraw/zinc/29/46/37/180294637.db2.gz MSJYPBIIBBVBNY-KBPBESRZSA-N 1 0 265.401 2.056 10 0 CEAERO CCCCNC(=O)N(C)C1CCC([NH2+]CC)CC1 ZINC000091869830 180277282 /nfs/dbraw/zinc/27/72/82/180277282.db2.gz AOVAJJOMRGDHRS-UHFFFAOYSA-N 1 0 255.406 2.349 10 0 CEAERO C[NH2+]C1CCC(N(C)c2nccc(C(F)(F)F)n2)CC1 ZINC000091870846 180277359 /nfs/dbraw/zinc/27/73/59/180277359.db2.gz BIACYGLIIYKUDC-UHFFFAOYSA-N 1 0 288.317 2.462 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)c2cc(Cl)cn2C)CC1 ZINC000091872262 180277781 /nfs/dbraw/zinc/27/77/81/180277781.db2.gz NHFRCBCZHOBBHD-UHFFFAOYSA-N 1 0 283.803 2.281 10 0 CEAERO CC(C)C1CCC(C[NH3+])([C@H](O)c2cnn(C)c2)CC1 ZINC000091910029 180284664 /nfs/dbraw/zinc/28/46/64/180284664.db2.gz PIQJQKDMKVOFSM-HNFVBEJKSA-N 1 0 265.401 2.245 10 0 CEAERO COc1ccccc1[C@@H](O)C1(C[NH3+])Cc2ccccc2C1 ZINC000091908567 180284697 /nfs/dbraw/zinc/28/46/97/180284697.db2.gz KVKJNKSFHOODBR-QGZVFWFLSA-N 1 0 283.371 2.473 10 0 CEAERO CC1(C)C[C@@](O)([C@]2(C[NH3+])CCc3ccccc3C2)CCO1 ZINC000091918957 180286669 /nfs/dbraw/zinc/28/66/69/180286669.db2.gz MJJRMLWQYVOPNM-QZTJIDSGSA-N 1 0 289.419 2.441 10 0 CEAERO CC[C@](O)(C1CC1)[C@@]1(C[NH3+])CCOc2ccccc21 ZINC000091921772 180286671 /nfs/dbraw/zinc/28/66/71/180286671.db2.gz YWUMBRMXFXJUPH-CVEARBPZSA-N 1 0 261.365 2.217 10 0 CEAERO [NH3+]CC1([C@H](O)c2ccc3ncccc3c2)CCOCC1 ZINC000091918140 180286722 /nfs/dbraw/zinc/28/67/22/180286722.db2.gz VXOAHUXNWKQDOW-OAHLLOKOSA-N 1 0 272.348 2.024 10 0 CEAERO CC(C)C1CCC(C[NH3+])([C@H](O)c2ccncn2)CC1 ZINC000091918323 180286765 /nfs/dbraw/zinc/28/67/65/180286765.db2.gz AWMPYOVDQLMTSO-HNFVBEJKSA-N 1 0 263.385 2.301 10 0 CEAERO C[C@H]1CCC[C@@](C[NH3+])(C2(O)CCC3(CC2)OCCO3)C1 ZINC000091924494 180287432 /nfs/dbraw/zinc/28/74/32/180287432.db2.gz VUVAYUZPTSRKEV-UONOGXRCSA-N 1 0 283.412 2.190 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(F)cc1OC[C@H]1CN(C)CCO1 ZINC000092054551 180313722 /nfs/dbraw/zinc/31/37/22/180313722.db2.gz GVWLQVFBIIENCZ-TZMCWYRMSA-N 1 0 296.386 2.206 10 0 CEAERO CC[C@H]([NH2+]C)c1ccc(OC[C@H]2CN(C)CCO2)cc1 ZINC000092054252 180314534 /nfs/dbraw/zinc/31/45/34/180314534.db2.gz DVTNYRQJKJMUNG-CVEARBPZSA-N 1 0 278.396 2.067 10 0 CEAERO CN(C(=O)N1CCCCCC1)c1ccc(C(N)=[NH2+])cc1 ZINC000091972025 180295445 /nfs/dbraw/zinc/29/54/45/180295445.db2.gz NPASYDLNRQWYGR-UHFFFAOYSA-N 1 0 274.368 2.403 10 0 CEAERO CCC(CC)(NC(=O)N1CCCCCC1)C(N)=[NH2+] ZINC000091972007 180295680 /nfs/dbraw/zinc/29/56/80/180295680.db2.gz QOXKIENYEQEELC-UHFFFAOYSA-N 1 0 254.378 2.067 10 0 CEAERO C[C@H]1CCCN(C(=O)NC2(C[NH3+])CCCCCC2)C1 ZINC000091972824 180296284 /nfs/dbraw/zinc/29/62/84/180296284.db2.gz DHCAFUXGHUNEPG-ZDUSSCGKSA-N 1 0 267.417 2.480 10 0 CEAERO C[C@H]1CCCN(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000091991036 180299928 /nfs/dbraw/zinc/29/99/28/180299928.db2.gz LPKFWGFISJVQPK-DZGCQCFKSA-N 1 0 279.428 2.302 10 0 CEAERO CCN(C(=O)N1CCC(C)CC1)[C@@H]1CCC[C@H]1C[NH3+] ZINC000091991519 180299933 /nfs/dbraw/zinc/29/99/33/180299933.db2.gz VMTRJUFAPXECGC-UONOGXRCSA-N 1 0 267.417 2.288 10 0 CEAERO CC1CCN(C(=O)NC[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000091993223 180300387 /nfs/dbraw/zinc/30/03/87/180300387.db2.gz LQVQWINPUXLLPY-UONOGXRCSA-N 1 0 267.417 2.193 10 0 CEAERO CC1CCN(C(=O)N[C@@H](C(N)=[NH2+])c2ccccc2)CC1 ZINC000091993294 180300599 /nfs/dbraw/zinc/30/05/99/180300599.db2.gz HFYXNDGQURHSSP-CYBMUJFWSA-N 1 0 274.368 2.105 10 0 CEAERO Cc1ccc(O[C@H](C)C(=O)N2CCCCCC2)c(C[NH3+])n1 ZINC000091993880 180301214 /nfs/dbraw/zinc/30/12/14/180301214.db2.gz KXYAOXRJDFCDQL-CYBMUJFWSA-N 1 0 291.395 2.019 10 0 CEAERO CC[C@@H](C)Oc1ccc(C)nc1C[NH2+]CCOC ZINC000091996523 180301933 /nfs/dbraw/zinc/30/19/33/180301933.db2.gz CFMKMNXYFGVEON-GFCCVEGCSA-N 1 0 252.358 2.303 10 0 CEAERO CCC[NH2+]Cc1nc(C)ccc1OCC(=O)N[C@@H](C)CC ZINC000091995293 180301979 /nfs/dbraw/zinc/30/19/79/180301979.db2.gz HEVUFWSFDSOGNM-LBPRGKRZSA-N 1 0 293.411 2.183 10 0 CEAERO CC[C@@H](O)COc1ccc(C)nc1C[NH2+]C(C)C ZINC000091995494 180302528 /nfs/dbraw/zinc/30/25/28/180302528.db2.gz XVEDPPRZUZKNHB-GFCCVEGCSA-N 1 0 252.358 2.038 10 0 CEAERO CO[C@@H]1CCC[C@@H](Oc2ccc(C)nc2CC[NH3+])C1 ZINC000091999657 180303585 /nfs/dbraw/zinc/30/35/85/180303585.db2.gz UKGZYIIWMQKSQY-CHWSQXEVSA-N 1 0 264.369 2.228 10 0 CEAERO CNc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C ZINC000092023890 180308832 /nfs/dbraw/zinc/30/88/32/180308832.db2.gz UAMHKJRLQLTSTA-CABCVRRESA-N 1 0 287.407 2.345 10 0 CEAERO CC[NH2+]Cc1cccc(S(=O)(=O)N2C[C@@H](C)[C@H](C)C2)c1 ZINC000092113383 180327508 /nfs/dbraw/zinc/32/75/08/180327508.db2.gz BWSJOBPWBSBXPO-CHWSQXEVSA-N 1 0 296.436 2.073 10 0 CEAERO Cc1ncc(C[NH2+]C[C@@H]2CCC[C@@H]2O)n1-c1ccccc1 ZINC000092129186 180329841 /nfs/dbraw/zinc/32/98/41/180329841.db2.gz BZDILXPMAPFPIB-YOEHRIQHSA-N 1 0 285.391 2.431 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000092132723 180330638 /nfs/dbraw/zinc/33/06/38/180330638.db2.gz GIRQADVGFMZXGB-QMMMGPOBSA-N 1 0 258.268 2.082 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)Nc1cccc2c(O)cccc12 ZINC000092133620 180331261 /nfs/dbraw/zinc/33/12/61/180331261.db2.gz IJXKHUXNJWXECU-SNVBAGLBSA-N 1 0 258.321 2.339 10 0 CEAERO CCC[NH2+][C@H](C)[C@H](C)c1nc(C(C)(C)OC)no1 ZINC000092141623 180334322 /nfs/dbraw/zinc/33/43/22/180334322.db2.gz AJPHNQIQLHXWRV-VHSXEESVSA-N 1 0 255.362 2.443 10 0 CEAERO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2N)C[C@H]1C ZINC000092080709 180318324 /nfs/dbraw/zinc/31/83/24/180318324.db2.gz CNSXFYTXCIZCCT-TXEJJXNPSA-N 1 0 261.369 2.185 10 0 CEAERO C[C@@H](C(=O)Nc1ccc(F)cc1N)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000092080715 180318763 /nfs/dbraw/zinc/31/87/63/180318763.db2.gz GMHBMHRIXSNMKV-AXFHLTTASA-N 1 0 279.359 2.323 10 0 CEAERO C[C@@H]1C[NH+](CC(=O)Nc2ccc(Cl)cc2N)C[C@H]1C ZINC000092080541 180318823 /nfs/dbraw/zinc/31/88/23/180318823.db2.gz JXDWRAOIMOGITH-NXEZZACHSA-N 1 0 281.787 2.449 10 0 CEAERO COc1ccc(OC)c([C@H](C[NH3+])N2C[C@H](C)[C@H](C)C2)c1 ZINC000092082629 180319775 /nfs/dbraw/zinc/31/97/75/180319775.db2.gz IMGAPXATNOTWMZ-ZOWXZIJZSA-N 1 0 278.396 2.291 10 0 CEAERO CCC[NH2+][C@](C)(C[C@@H](C)[N@@H+]1C[C@H](C)[C@H](C)C1)C(=O)[O-] ZINC000092087747 180320964 /nfs/dbraw/zinc/32/09/64/180320964.db2.gz HGSLFOLVQFADHO-QVHKTLOISA-N 1 0 270.417 2.196 10 0 CEAERO CCOC(=O)[C@](C)(CC[N@@H+]1C[C@H](C)[C@H](C)C1)NC1CC1 ZINC000092087479 180321573 /nfs/dbraw/zinc/32/15/73/180321573.db2.gz KEXOWMLRKYWQQZ-ZENOOKHLSA-N 1 0 282.428 2.038 10 0 CEAERO C[C@@H]([NH3+])Cc1c(N2C[C@H](C)[C@H](C)C2)nc2ccccn21 ZINC000092090079 180322418 /nfs/dbraw/zinc/32/24/18/180322418.db2.gz PPPCWJSLHNJAIK-FRRDWIJNSA-N 1 0 272.396 2.316 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)N(Cc2ccccc2)C2CC2)C1 ZINC000092202025 180342990 /nfs/dbraw/zinc/34/29/90/180342990.db2.gz MTCCXJCNLQCVRX-KGLIPLIRSA-N 1 0 256.349 2.081 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)Nc2cnc3ccccc3c2)C1 ZINC000092202914 180343362 /nfs/dbraw/zinc/34/33/62/180343362.db2.gz LNFJOOGKXNBRPB-NEPJUHHUSA-N 1 0 253.305 2.077 10 0 CEAERO COc1ccc(OC(F)F)c(NC(=O)[C@H]2C=C[C@H]([NH3+])C2)c1 ZINC000092203051 180343548 /nfs/dbraw/zinc/34/35/48/180343548.db2.gz WLADMCUAWGCPKA-IUCAKERBSA-N 1 0 298.289 2.139 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)Nc2cccc3cnccc32)C1 ZINC000092202624 180343559 /nfs/dbraw/zinc/34/35/59/180343559.db2.gz PECIWZUBAHOJHI-CMPLNLGQSA-N 1 0 253.305 2.077 10 0 CEAERO CSc1ccc(CN(C)C(=O)[C@@H]2C=C[C@H]([NH3+])C2)cc1 ZINC000092204428 180343743 /nfs/dbraw/zinc/34/37/43/180343743.db2.gz YALXEJWLLJSFEN-OLZOCXBDSA-N 1 0 276.405 2.270 10 0 CEAERO COc1ccc(NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)cc1OC(F)F ZINC000092203786 180343803 /nfs/dbraw/zinc/34/38/03/180343803.db2.gz IKRASLDAUISIFJ-RKDXNWHRSA-N 1 0 298.289 2.139 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)Nc2cccc(-c3cnco3)c2)C1 ZINC000092204221 180343926 /nfs/dbraw/zinc/34/39/26/180343926.db2.gz BTRXMHJPZLDBIA-RYUDHWBXSA-N 1 0 269.304 2.184 10 0 CEAERO CC(C)c1ccc(CNC(=O)[C@H]2C=C[C@@H]([NH3+])C2)cc1 ZINC000092207109 180344344 /nfs/dbraw/zinc/34/43/44/180344344.db2.gz WBTBODZOYMOVOU-LSDHHAIUSA-N 1 0 258.365 2.330 10 0 CEAERO CCCC[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000105863648 186080454 /nfs/dbraw/zinc/08/04/54/186080454.db2.gz NFEREFXOASZYBT-UHFFFAOYSA-N 1 0 264.417 2.079 10 0 CEAERO Cn1cc(CN2CCC[N@H+](CCc3ccccc3)CC2)cn1 ZINC000105869408 186080575 /nfs/dbraw/zinc/08/05/75/186080575.db2.gz CJFVXABEERAOJQ-UHFFFAOYSA-N 1 0 298.434 2.171 10 0 CEAERO CN(CC[NH2+]C[C@@H]1Cc2ccccc2S1)C1CC1 ZINC000092244142 180352069 /nfs/dbraw/zinc/35/20/69/180352069.db2.gz ZLILTOUZARYOQA-AWEZNQCLSA-N 1 0 262.422 2.387 10 0 CEAERO CC[C@@](C)(O)C[NH2+]C[C@@H]1Cc2ccccc2S1 ZINC000092244726 180352406 /nfs/dbraw/zinc/35/24/06/180352406.db2.gz HTUWNMNHVBUZRT-GXTWGEPZSA-N 1 0 251.395 2.454 10 0 CEAERO C[NH2+]C[C@H]1CCCN1C[C@@H]1Cc2ccccc2S1 ZINC000092262896 180355031 /nfs/dbraw/zinc/35/50/31/180355031.db2.gz FHTZPEQRYBHPQY-KGLIPLIRSA-N 1 0 262.422 2.387 10 0 CEAERO CC[C@@H]1CN(C[C@@H]2Cc3ccccc3S2)CC[NH2+]1 ZINC000092272621 180356760 /nfs/dbraw/zinc/35/67/60/180356760.db2.gz PXHNSKIYRQIGLX-KGLIPLIRSA-N 1 0 262.422 2.387 10 0 CEAERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(F)cc1 ZINC000105871174 186081168 /nfs/dbraw/zinc/08/11/68/186081168.db2.gz VELJRYFZBKWPIZ-MFKMUULPSA-N 1 0 260.316 2.083 10 0 CEAERO CCCN(C[C@H]1COc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000092304471 180359686 /nfs/dbraw/zinc/35/96/86/180359686.db2.gz NYDLEIXMQHAIAM-UONOGXRCSA-N 1 0 260.381 2.237 10 0 CEAERO Cc1nc(C)n(C[C@H]2CCC[N@@H+](CCOC(C)C)C2)n1 ZINC000105885000 186083031 /nfs/dbraw/zinc/08/30/31/186083031.db2.gz VDVZPTZQVMLEMX-HNNXBMFYSA-N 1 0 280.416 2.032 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)OCc2ccc(Cl)cc2)C1 ZINC000092177603 180337246 /nfs/dbraw/zinc/33/72/46/180337246.db2.gz ARSGMKFRTJPAQC-JQWIXIFHSA-N 1 0 251.713 2.287 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)OCc2ccccc2Cl)C1 ZINC000092177204 180337393 /nfs/dbraw/zinc/33/73/93/180337393.db2.gz ZPDIDIXFOLBDNH-KOLCDFICSA-N 1 0 251.713 2.287 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](c2nc(Cc3cccc(F)c3)no2)C1 ZINC000092181518 180338321 /nfs/dbraw/zinc/33/83/21/180338321.db2.gz CNOULLRYWDXHOV-ZYHUDNBSSA-N 1 0 259.284 2.170 10 0 CEAERO Cc1ccc(Cc2noc([C@H]3C=C[C@@H]([NH3+])C3)n2)cc1 ZINC000092181689 180339006 /nfs/dbraw/zinc/33/90/06/180339006.db2.gz SXNPRJBKLVLGTE-QWHCGFSZSA-N 1 0 255.321 2.340 10 0 CEAERO CC[NH2+][C@@H](CN1C(=O)C[C@H](C)C1=O)c1ccc(CC)cc1 ZINC000105832443 186076764 /nfs/dbraw/zinc/07/67/64/186076764.db2.gz KBWFZLUCQVQRQH-WFASDCNBSA-N 1 0 288.391 2.295 10 0 CEAERO CC[C@@H]([NH3+])Cc1nccn1C[C@@H]1COc2ccccc21 ZINC000092306327 180359982 /nfs/dbraw/zinc/35/99/82/180359982.db2.gz MOIAXUDKQUKWGG-CHWSQXEVSA-N 1 0 271.364 2.339 10 0 CEAERO COCCCCC[N@@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000105919738 186088571 /nfs/dbraw/zinc/08/85/71/186088571.db2.gz KTIZYKHGWMAXNP-MRXNPFEDSA-N 1 0 294.443 2.424 10 0 CEAERO Cc1nn(-c2nc(C)cc(C)n2)c(C)c1C[C@H](C)C[NH3+] ZINC000092320488 180361682 /nfs/dbraw/zinc/36/16/82/180361682.db2.gz WBDOEIMKHSMOHP-VIFPVBQESA-N 1 0 273.384 2.033 10 0 CEAERO CCn1cnnc1C1CC[NH+](C/C=C/Cl)CC1 ZINC000105929733 186092559 /nfs/dbraw/zinc/09/25/59/186092559.db2.gz SBAKNTNMFUFZLH-ZZXKWVIFSA-N 1 0 254.765 2.230 10 0 CEAERO Cc1noc(C)c1[C@@H](C)[NH2+][C@H]1CCN(C(C)C)C1 ZINC000092326443 180363148 /nfs/dbraw/zinc/36/31/48/180363148.db2.gz RHLZLNMNRAKOGX-MFKMUULPSA-N 1 0 251.374 2.425 10 0 CEAERO Cc1noc(C)c1[C@H](C)[NH2+]C[C@@H]1CCCCN1C ZINC000092327794 180363167 /nfs/dbraw/zinc/36/31/67/180363167.db2.gz UXWZEEMVKVOHMT-GWCFXTLKSA-N 1 0 251.374 2.426 10 0 CEAERO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1c(C)nn(C)c1C ZINC000092325250 180363230 /nfs/dbraw/zinc/36/32/30/180363230.db2.gz JEHSVQLEEWKFLX-ZIAGYGMSSA-N 1 0 251.374 2.084 10 0 CEAERO CCC[C@@]1(C(=O)NCc2c(C)noc2C)CCC[NH2+]C1 ZINC000092330655 180363950 /nfs/dbraw/zinc/36/39/50/180363950.db2.gz NXRVGFMGJGCBMI-OAHLLOKOSA-N 1 0 279.384 2.078 10 0 CEAERO C[C@@H](O)C[N@@H+]1CCN(Cc2cccc(Cl)c2)C[C@@H]1C ZINC000106097745 186101846 /nfs/dbraw/zinc/10/18/46/186101846.db2.gz PMDQUUYDHKKATJ-QWHCGFSZSA-N 1 0 282.815 2.227 10 0 CEAERO CCC(CC)N1C(=O)C[C@H]([NH2+]C[C@@H]2CC=CCC2)C1=O ZINC000106257856 186105657 /nfs/dbraw/zinc/10/56/57/186105657.db2.gz YREJLWFKIXULPC-OCCSQVGLSA-N 1 0 278.396 2.248 10 0 CEAERO Cc1noc(C)c1CN1CC(C)(C)[NH2+]C[C@H]1C(C)C ZINC000092342877 180366246 /nfs/dbraw/zinc/36/62/46/180366246.db2.gz ANHRRONISDFPLQ-AWEZNQCLSA-N 1 0 265.401 2.500 10 0 CEAERO Cc1noc(C)c1CN1CCC[NH2+][C@](C)(C2CC2)C1 ZINC000092342614 180366580 /nfs/dbraw/zinc/36/65/80/180366580.db2.gz LZLSVYPCHCWVFE-HNNXBMFYSA-N 1 0 263.385 2.255 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C2CC2)CN1Cc1c(C)noc1C ZINC000092342630 180366714 /nfs/dbraw/zinc/36/67/14/180366714.db2.gz GUQZKIJGOQBEJH-HIFRSBDPSA-N 1 0 263.385 2.254 10 0 CEAERO Cc1cc(CN2CCC[NH2+][C@@H](C)C2=O)c2ccccc2n1 ZINC000092364631 180367977 /nfs/dbraw/zinc/36/79/77/180367977.db2.gz WKYQHCUAGRYCFY-ZDUSSCGKSA-N 1 0 283.375 2.254 10 0 CEAERO CN(Cc1cccc(Cl)n1)C[C@@H]1CC[N@H+](C)C1 ZINC000092366535 180369134 /nfs/dbraw/zinc/36/91/34/180369134.db2.gz KNINNAIEHLICLZ-LLVKDONJSA-N 1 0 253.777 2.119 10 0 CEAERO COc1ccc2c(c1)[C@]([NH3+])(Cc1cnn(C)c1)CCC2 ZINC000092367350 180370090 /nfs/dbraw/zinc/37/00/90/180370090.db2.gz GVFZZDYHIRHVNM-MRXNPFEDSA-N 1 0 271.364 2.162 10 0 CEAERO CCCNc1cccc(CN2CCC([NH+](C)C)CC2)n1 ZINC000092368407 180370505 /nfs/dbraw/zinc/37/05/05/180370505.db2.gz AJSHNZPIYQKJCG-UHFFFAOYSA-N 1 0 276.428 2.430 10 0 CEAERO NNc1cccc(CN2CC[C@@H]3CCCC[C@@H]3C2)[nH+]1 ZINC000092369244 180370511 /nfs/dbraw/zinc/37/05/11/180370511.db2.gz QHWPFTCKJVRFJV-QWHCGFSZSA-N 1 0 260.385 2.379 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)NC(C)(C)C ZINC000105894773 186086301 /nfs/dbraw/zinc/08/63/01/186086301.db2.gz STOYNQXBODLVMU-ZDUSSCGKSA-N 1 0 292.427 2.089 10 0 CEAERO COc1ccc2c(c1)[C@H](O)[C@H]([N@@H+]1CCOCC1(C)C)CC2 ZINC000092387878 180374520 /nfs/dbraw/zinc/37/45/20/180374520.db2.gz DIBROQCOSQOKIB-CVEARBPZSA-N 1 0 291.391 2.154 10 0 CEAERO Cc1cccc(CN(C)c2ccc(C(N)=[NH2+])cc2)n1 ZINC000092429765 180384240 /nfs/dbraw/zinc/38/42/40/180384240.db2.gz OLFGVSVSNOTTFA-UHFFFAOYSA-N 1 0 254.337 2.310 10 0 CEAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@H](SCCCO)CC2 ZINC000092390234 180375198 /nfs/dbraw/zinc/37/51/98/180375198.db2.gz JUOZYVPQOSFFQJ-ZIAGYGMSSA-N 1 0 267.394 2.125 10 0 CEAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@H](Sc1n[nH]c(C)n1)CC2 ZINC000092390057 180375399 /nfs/dbraw/zinc/37/53/99/180375399.db2.gz RDBXKQNYARWJLF-CHWSQXEVSA-N 1 0 290.392 2.229 10 0 CEAERO C[C@@H](NC(=O)[C@H](Cc1ccccc1)[NH+](C)C)c1cccnc1 ZINC000106901663 186148505 /nfs/dbraw/zinc/14/85/05/186148505.db2.gz BPSWGRWLRRUBHE-PBHICJAKSA-N 1 0 297.402 2.432 10 0 CEAERO CC(C)[C@H](CO)[NH2+]Cc1ccn(C2CCCCC2)n1 ZINC000092394906 180376985 /nfs/dbraw/zinc/37/69/85/180376985.db2.gz PCETZOSIRUOOOC-HNNXBMFYSA-N 1 0 265.401 2.495 10 0 CEAERO CCN(Cc1cc(Cl)ccn1)C1CC[NH2+]CC1 ZINC000092417087 180381020 /nfs/dbraw/zinc/38/10/20/180381020.db2.gz OLOKFDSASPAUEQ-UHFFFAOYSA-N 1 0 253.777 2.309 10 0 CEAERO Nc1cc[nH+]c(COCc2ccc3c(c2)OCO3)c1 ZINC000092420295 180381932 /nfs/dbraw/zinc/38/19/32/180381932.db2.gz ODLZNZHHASDTRB-UHFFFAOYSA-N 1 0 258.277 2.109 10 0 CEAERO CCNc1cc[nH+]c(Cn2c(=O)cnc3ccccc32)c1 ZINC000092419553 180382757 /nfs/dbraw/zinc/38/27/57/180382757.db2.gz CYWDLSSJGZRHIB-UHFFFAOYSA-N 1 0 280.331 2.272 10 0 CEAERO Cc1cccc(CN(CC[NH3+])Cc2ccccc2)n1 ZINC000092427871 180383485 /nfs/dbraw/zinc/38/34/85/180383485.db2.gz PRYAHRAVAHKAFI-UHFFFAOYSA-N 1 0 255.365 2.351 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH2+][C@H](C)CS(C)(=O)=O)CCC2 ZINC000092384226 180373988 /nfs/dbraw/zinc/37/39/88/180373988.db2.gz AXBMHSOJQJSSOD-IAQYHMDHSA-N 1 0 297.420 2.095 10 0 CEAERO CC[NH+](CC)CCCn1c(N)nc2cc(C)cnc21 ZINC000092557395 180405441 /nfs/dbraw/zinc/40/54/41/180405441.db2.gz QEKGNFWWDTXTIJ-UHFFFAOYSA-N 1 0 261.373 2.054 10 0 CEAERO C[NH+](C)C(C)(C)Cn1c2ccncc2[nH]c1=S ZINC000092514485 180399735 /nfs/dbraw/zinc/39/97/35/180399735.db2.gz LEDRQBPKYSINBS-UHFFFAOYSA-N 1 0 250.371 2.434 10 0 CEAERO C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000130572917 365969684 /nfs/dbraw/zinc/96/96/84/365969684.db2.gz HTOQHFSAANDPEV-INWMFGNUSA-N 1 0 263.381 2.464 10 0 CEAERO C[NH2+][C@H](C)[C@H](c1nc(-c2ccccn2)no1)C(C)C ZINC000109497508 186256385 /nfs/dbraw/zinc/25/63/85/186256385.db2.gz BHRUQVYAZCDPBJ-ZYHUDNBSSA-N 1 0 260.341 2.479 10 0 CEAERO CCC[NH2+][C@@H]1CCC[C@H]1c1nc(-c2cnccn2)no1 ZINC000109507080 186257404 /nfs/dbraw/zinc/25/74/04/186257404.db2.gz SJWTWMOVEVXAIC-GHMZBOCLSA-N 1 0 273.340 2.162 10 0 CEAERO C[NH2+][C@@H](C)CCc1nc(-c2cccc(OC)c2)no1 ZINC000109504090 186257429 /nfs/dbraw/zinc/25/74/29/186257429.db2.gz FGZGFNFXBWJBFV-JTQLQIEISA-N 1 0 261.325 2.286 10 0 CEAERO COc1ccccc1-c1noc([C@H]2CCC[C@H]2[NH3+])n1 ZINC000109503620 186257740 /nfs/dbraw/zinc/25/77/40/186257740.db2.gz XNLDVSHWYSHWCO-GXSJLCMTSA-N 1 0 259.309 2.340 10 0 CEAERO COc1ccccc1Cc1noc([C@H]2CCC[C@H]2[NH3+])n1 ZINC000109513263 186258045 /nfs/dbraw/zinc/25/80/45/186258045.db2.gz LITVOOHZEIGLJG-NWDGAFQWSA-N 1 0 273.336 2.264 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@H]1c1nc(Cc2ccncc2)no1 ZINC000109508929 186258072 /nfs/dbraw/zinc/25/80/72/186258072.db2.gz GQZWCJJYYFTHPL-CHWSQXEVSA-N 1 0 272.352 2.430 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1c1nc(COc2ccccc2)no1 ZINC000109509266 186258675 /nfs/dbraw/zinc/25/86/75/186258675.db2.gz YOZLPHTVCRXGOZ-VXGBXAGGSA-N 1 0 259.309 2.243 10 0 CEAERO CCCOCc1noc([C@@H]2CCCCC[C@H]2[NH3+])n1 ZINC000109519636 186258886 /nfs/dbraw/zinc/25/88/86/186258886.db2.gz GOUHGCPNWWTIGG-GHMZBOCLSA-N 1 0 253.346 2.371 10 0 CEAERO NNc1cc(C2CC2)nc(-c2ccc3c(c2)OCO3)[nH+]1 ZINC000109528069 186259936 /nfs/dbraw/zinc/25/99/36/186259936.db2.gz KAAFWJUUEUENQG-UHFFFAOYSA-N 1 0 270.292 2.035 10 0 CEAERO CC[NH2+][C@H]1C(=O)Nc2cc(-n3ccc(C4CC4)n3)ccc21 ZINC000109573220 186263703 /nfs/dbraw/zinc/26/37/03/186263703.db2.gz JWYGAXAUIMXZRF-OAHLLOKOSA-N 1 0 282.347 2.352 10 0 CEAERO Cc1nnc(SCCCOc2cccc(C[NH3+])c2)n1C ZINC000109687113 186269328 /nfs/dbraw/zinc/26/93/28/186269328.db2.gz IJWACRFGOCUKJE-UHFFFAOYSA-N 1 0 292.408 2.143 10 0 CEAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCCS1 ZINC000130690232 365979296 /nfs/dbraw/zinc/97/92/96/365979296.db2.gz RYCCZWMTJGADGB-HUUCEWRRSA-N 1 0 292.448 2.171 10 0 CEAERO CCC(CC)N1C(=O)C[C@H]([NH2+][C@H]2CCC[C@@H]2C)C1=O ZINC000109365082 186250636 /nfs/dbraw/zinc/25/06/36/186250636.db2.gz OFLKMYRUDZJBST-DRZSPHRISA-N 1 0 266.385 2.081 10 0 CEAERO Cc1cc(C)c(C[NH2+]CCc2nncn2C)c(C)c1 ZINC000109420885 186251713 /nfs/dbraw/zinc/25/17/13/186251713.db2.gz IANDBWOMQKRXGQ-UHFFFAOYSA-N 1 0 258.369 2.073 10 0 CEAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCc1nncn1C ZINC000109420746 186251891 /nfs/dbraw/zinc/25/18/91/186251891.db2.gz MVVXIRVJGGRWIW-HNNXBMFYSA-N 1 0 286.379 2.033 10 0 CEAERO CC[C@@H](c1noc(C2CCCCC2)n1)N1CC[NH2+]CC1 ZINC000109474590 186254912 /nfs/dbraw/zinc/25/49/12/186254912.db2.gz RAUKYAPNYHTCAY-ZDUSSCGKSA-N 1 0 278.400 2.474 10 0 CEAERO CC[C@H](c1ncc(-c2ccccc2)cn1)N1CC[NH2+]CC1 ZINC000109475830 186255016 /nfs/dbraw/zinc/25/50/16/186255016.db2.gz SXCBTLSDSVGGEQ-MRXNPFEDSA-N 1 0 282.391 2.500 10 0 CEAERO CC(C)(c1noc(-c2cccc(F)c2)n1)N1CC[NH2+]CC1 ZINC000109475344 186255202 /nfs/dbraw/zinc/25/52/02/186255202.db2.gz HISVTXGGUGSNTG-UHFFFAOYSA-N 1 0 290.342 2.016 10 0 CEAERO CCC(CC)[NH2+]C[C@@H](C)Sc1nnc(C)n1C ZINC000110250167 186288455 /nfs/dbraw/zinc/28/84/55/186288455.db2.gz IGRAUKWKNQQZGS-SECBINFHSA-N 1 0 256.419 2.382 10 0 CEAERO Cc1nnc(S[C@H](C)C[NH2+]CCC(C)C)n1C ZINC000110250209 186288463 /nfs/dbraw/zinc/28/84/63/186288463.db2.gz AQIUNRVGGIBERE-SNVBAGLBSA-N 1 0 256.419 2.240 10 0 CEAERO C[C@@H](c1nc(C(C)(C)C)cs1)N1CC[NH2+]CC1 ZINC000110460833 186296967 /nfs/dbraw/zinc/29/69/67/186296967.db2.gz JPXKVZNPIRSLNA-JTQLQIEISA-N 1 0 253.415 2.407 10 0 CEAERO CCN(C(=O)CC[C@@H]([NH3+])c1ccccc1)[C@H](C)COC ZINC000110460411 186297143 /nfs/dbraw/zinc/29/71/43/186297143.db2.gz RVOCSCZAMWTUGY-UKRRQHHQSA-N 1 0 278.396 2.350 10 0 CEAERO CCC[C@@H](Cc1nc(-c2ccccn2)no1)[NH2+]CC ZINC000110461176 186297272 /nfs/dbraw/zinc/29/72/72/186297272.db2.gz QKWKDFLCHIEXBO-NSHDSACASA-N 1 0 260.341 2.452 10 0 CEAERO CC[C@@H]([NH3+])c1noc([C@H]2COc3ccccc3C2)n1 ZINC000110540882 186302745 /nfs/dbraw/zinc/30/27/45/186302745.db2.gz XUUXPZNAMPUYOY-GHMZBOCLSA-N 1 0 259.309 2.198 10 0 CEAERO C[C@@H](Cc1ccccc1)NC(=O)Cc1ccc(C[NH3+])cc1 ZINC000110614401 186305678 /nfs/dbraw/zinc/30/56/78/186305678.db2.gz WNKFIVWXYDUMOK-AWEZNQCLSA-N 1 0 282.387 2.435 10 0 CEAERO COc1cc2c(cc1F)[nH]c(=S)n2C[C@@H]1CC[N@H+](C)C1 ZINC000110628580 186306759 /nfs/dbraw/zinc/30/67/59/186306759.db2.gz LTCZOFBWJHULBC-SECBINFHSA-N 1 0 295.383 2.424 10 0 CEAERO COc1cc2c(cc1F)[nH+]c(N)n2Cc1ccncc1 ZINC000110629348 186307827 /nfs/dbraw/zinc/30/78/27/186307827.db2.gz CMFDDEPFSUVARF-UHFFFAOYSA-N 1 0 272.283 2.210 10 0 CEAERO COc1ccc([C@H](CO)[NH2+]C(C)C)c(Cl)c1OC ZINC000110831483 186329095 /nfs/dbraw/zinc/32/90/95/186329095.db2.gz TWBXSQKLRPKZGR-JTQLQIEISA-N 1 0 273.760 2.389 10 0 CEAERO CC[NH2+][C@@H]1c2ccc(Sc3cnccn3)cc2NC1=O ZINC000110913638 186332738 /nfs/dbraw/zinc/33/27/38/186332738.db2.gz FZSCAAKSBFLWEB-CYBMUJFWSA-N 1 0 286.360 2.231 10 0 CEAERO CN(CC(=O)Nc1ccc(F)c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000110930252 186333457 /nfs/dbraw/zinc/33/34/57/186333457.db2.gz WPUBHYBOYABODX-LLVKDONJSA-N 1 0 299.777 2.101 10 0 CEAERO CN(CC(=O)N(C1=CCCCC1)C1CC1)[C@H]1CCC[NH2+]C1 ZINC000110928730 186333515 /nfs/dbraw/zinc/33/35/15/186333515.db2.gz VRWQEFAZWPOLMS-INIZCTEOSA-N 1 0 291.439 2.119 10 0 CEAERO CCn1nc(C)c([C@@H](C)N(C)[C@@H]2CCC[NH2+]C2)c1C ZINC000110926322 186333697 /nfs/dbraw/zinc/33/36/97/186333697.db2.gz BJKVMWMKHDKGLK-TZMCWYRMSA-N 1 0 264.417 2.265 10 0 CEAERO Cc1cc(C(=O)N(C)[C@@H]2CCC[NH2+]C2)c2ccccc2n1 ZINC000110927057 186333709 /nfs/dbraw/zinc/33/37/09/186333709.db2.gz XTALQTPXDFPSQB-CYBMUJFWSA-N 1 0 283.375 2.367 10 0 CEAERO CCN(C(=O)Cc1c[nH]c2ccccc12)[C@H]1CCC[NH2+]C1 ZINC000110939346 186334198 /nfs/dbraw/zinc/33/41/98/186334198.db2.gz CRAOFSHAMIIOAU-AWEZNQCLSA-N 1 0 285.391 2.311 10 0 CEAERO CCCN(Cc1ccc(O)c(OC)c1)[C@@H]1CCC[NH2+]C1 ZINC000110938080 186334354 /nfs/dbraw/zinc/33/43/54/186334354.db2.gz BQDYIDZGAQEPGA-CQSZACIVSA-N 1 0 278.396 2.365 10 0 CEAERO CCN(C(=O)c1cccc2ncccc21)[C@H]1CCC[NH2+]C1 ZINC000110939712 186334457 /nfs/dbraw/zinc/33/44/57/186334457.db2.gz OIXARCSBCONSQY-ZDUSSCGKSA-N 1 0 283.375 2.449 10 0 CEAERO CCN(Cc1nc(-c2ccccc2)no1)[C@@H]1CCC[NH2+]C1 ZINC000110942813 186334835 /nfs/dbraw/zinc/33/48/35/186334835.db2.gz TUHHHZXFGFZYMN-CQSZACIVSA-N 1 0 286.379 2.311 10 0 CEAERO CCN(Cc1ccc2c(c1)OCCO2)[C@@H]1CCC[NH2+]C1 ZINC000110936622 186335031 /nfs/dbraw/zinc/33/50/31/186335031.db2.gz TULSWJSOFZOGMU-CQSZACIVSA-N 1 0 276.380 2.032 10 0 CEAERO CCCN(Cc1cn2ccccc2n1)[C@H]1CCC[NH2+]C1 ZINC000110945929 186335192 /nfs/dbraw/zinc/33/51/92/186335192.db2.gz RWAKXOQVDLYMNQ-HNNXBMFYSA-N 1 0 272.396 2.298 10 0 CEAERO CCN(c1ncnc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000110946949 186335387 /nfs/dbraw/zinc/33/53/87/186335387.db2.gz NLPIDDDGVYCUND-LBPRGKRZSA-N 1 0 256.353 2.208 10 0 CEAERO CCCN(c1cc(C)ccc1C(N)=O)[C@@H]1CCC[NH2+]C1 ZINC000110948354 186335673 /nfs/dbraw/zinc/33/56/73/186335673.db2.gz SDYLACUJCKINGK-CYBMUJFWSA-N 1 0 275.396 2.062 10 0 CEAERO CCCN(C[C@@H]1COC2(CCCC2)O1)[C@@H]1CCC[NH2+]C1 ZINC000110946745 186335783 /nfs/dbraw/zinc/33/57/83/186335783.db2.gz CNFUODOMNYFKDE-HUUCEWRRSA-N 1 0 282.428 2.136 10 0 CEAERO CCCN(CCC(=O)NC1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000110945877 186335903 /nfs/dbraw/zinc/33/59/03/186335903.db2.gz FSUGOYJOYXQLHV-MRXNPFEDSA-N 1 0 295.471 2.289 10 0 CEAERO Cc1ccc([C@H](C)[NH3+])c(OCCC(=O)NC(C)C)c1 ZINC000110958440 186336781 /nfs/dbraw/zinc/33/67/81/186336781.db2.gz DIVSRYKGGOBGJS-LBPRGKRZSA-N 1 0 264.369 2.308 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Oc1ccccc1CO)c1ccncc1 ZINC000110992667 186339926 /nfs/dbraw/zinc/33/99/26/186339926.db2.gz PNWRZBJHTPTSOI-GDBMZVCRSA-N 1 0 272.348 2.431 10 0 CEAERO CC[N@@H+]1CCN(C(=O)Nc2cccc([C@@H](C)O)c2)C[C@@H]1C ZINC000110694672 186313494 /nfs/dbraw/zinc/31/34/94/186313494.db2.gz XFSFCUOZKJVGNY-QWHCGFSZSA-N 1 0 291.395 2.298 10 0 CEAERO C[C@@H]1CN(Cc2ccc(N)cc2Cl)CC[N@@H+]1C ZINC000110702158 186314464 /nfs/dbraw/zinc/31/44/64/186314464.db2.gz SNCPJPZWXAZNJD-SNVBAGLBSA-N 1 0 253.777 2.058 10 0 CEAERO C[N@@H+]1CCN(Cc2ccc(N)cc2Cl)CC1(C)C ZINC000110705381 186315120 /nfs/dbraw/zinc/31/51/20/186315120.db2.gz NACZDXWSBYERBK-UHFFFAOYSA-N 1 0 267.804 2.448 10 0 CEAERO COc1ccc([C@H](C)O)cc1CN1CC[N@H+](C)C(C)(C)C1 ZINC000110736327 186318034 /nfs/dbraw/zinc/31/80/34/186318034.db2.gz BZFKVWSLUIAQTI-ZDUSSCGKSA-N 1 0 292.423 2.275 10 0 CEAERO COc1ccc(C)cc1[C@@H](O)CN1CC[N@H+](C)C(C)(C)C1 ZINC000110736491 186319254 /nfs/dbraw/zinc/31/92/54/186319254.db2.gz YTKJSZVCPUFNOP-HNNXBMFYSA-N 1 0 292.423 2.063 10 0 CEAERO CCCN(CC[NH+](C)C)c1ccc(N)c(OC)c1 ZINC000111054940 186348911 /nfs/dbraw/zinc/34/89/11/186348911.db2.gz BVODXCSUZVYDPZ-UHFFFAOYSA-N 1 0 251.374 2.055 10 0 CEAERO CS(=O)(=O)CCSCCC[NH2+]C1CCCCC1 ZINC000111007404 186342043 /nfs/dbraw/zinc/34/20/43/186342043.db2.gz XRUVCUFSEMBBCE-UHFFFAOYSA-N 1 0 279.471 2.077 10 0 CEAERO CC[NH+]1CCC(N(C)C(=O)c2c(N)cccc2Cl)CC1 ZINC000111009165 186342217 /nfs/dbraw/zinc/34/22/17/186342217.db2.gz ORJCKQXAWVDWFH-UHFFFAOYSA-N 1 0 295.814 2.479 10 0 CEAERO [NH3+]C[C@H](Cc1cccc(F)c1F)C(=O)N1CCCCC1 ZINC000111037557 186346667 /nfs/dbraw/zinc/34/66/67/186346667.db2.gz HSZGGTKEVNPUAV-LBPRGKRZSA-N 1 0 282.334 2.095 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1cccs1)N(C)C[C@@H]1CCCOC1 ZINC000111154645 186360895 /nfs/dbraw/zinc/36/08/95/186360895.db2.gz ZGYDEEDUDOMXNM-DYEKYZERSA-N 1 0 268.426 2.495 10 0 CEAERO CN(C[C@@H]1CCCOC1)c1nc2c(cc1C[NH3+])CCCC2 ZINC000111153741 186361120 /nfs/dbraw/zinc/36/11/20/186361120.db2.gz VTAVKQVVMRVTBJ-ZDUSSCGKSA-N 1 0 289.423 2.282 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccsc1)N(C)CC1CCOCC1 ZINC000111156474 186361960 /nfs/dbraw/zinc/36/19/60/186361960.db2.gz OSJBLKZSPIDPPF-BXUZGUMPSA-N 1 0 268.426 2.495 10 0 CEAERO CN(C[C@@H]1CCCOC1)[C@@H](C[NH3+])c1cccc(F)c1F ZINC000111157592 186362169 /nfs/dbraw/zinc/36/21/69/186362169.db2.gz BJYULMLYWKLSPP-FZMZJTMJSA-N 1 0 284.350 2.323 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccncc1)N(C)CC1CCOCC1 ZINC000111156026 186362605 /nfs/dbraw/zinc/36/26/05/186362605.db2.gz NECANTIMDPTNJT-HOTGVXAUSA-N 1 0 277.412 2.218 10 0 CEAERO CCc1ccc([C@@H](C[NH3+])N(C)C[C@@H]2CCCOC2)o1 ZINC000111158486 186362958 /nfs/dbraw/zinc/36/29/58/186362958.db2.gz HDZXUCYULCHWSM-GXTWGEPZSA-N 1 0 266.385 2.200 10 0 CEAERO CCC[NH2+][C@@H]1c2ccc(OCCOCCC)cc2NC1=O ZINC000111109222 186353376 /nfs/dbraw/zinc/35/33/76/186353376.db2.gz CMOXWDVDFZGUEF-OAHLLOKOSA-N 1 0 292.379 2.485 10 0 CEAERO CCCOCCOc1ccc(Cl)c(C[NH2+]C)n1 ZINC000111110873 186353533 /nfs/dbraw/zinc/35/35/33/186353533.db2.gz XUTQIZLGCNXTHP-UHFFFAOYSA-N 1 0 258.749 2.260 10 0 CEAERO CCOCCN(CC)[C@H](C[NH3+])c1cccc(F)c1F ZINC000111117490 186355181 /nfs/dbraw/zinc/35/51/81/186355181.db2.gz KMFDTOVQWDOYGR-CYBMUJFWSA-N 1 0 272.339 2.323 10 0 CEAERO C[NH2+][C@@H](CN(C)CC1CCOCC1)c1ccccc1 ZINC000111162061 186363416 /nfs/dbraw/zinc/36/34/16/186363416.db2.gz SSPPHPQGWSVFKF-INIZCTEOSA-N 1 0 262.397 2.306 10 0 CEAERO CCOCCN(CC)C(=O)[C@@H]1CCC[C@H](CC[NH3+])C1 ZINC000111127166 186356388 /nfs/dbraw/zinc/35/63/88/186356388.db2.gz SGVUXZOQAYTYLU-ZIAGYGMSSA-N 1 0 270.417 2.027 10 0 CEAERO CCOc1cc(N[C@H](C[NH3+])C2CCCCC2)ncn1 ZINC000130883162 366002469 /nfs/dbraw/zinc/00/24/69/366002469.db2.gz LJTLFLLLNWMDMI-GFCCVEGCSA-N 1 0 264.373 2.195 10 0 CEAERO Cc1ccc(C)c(C(=O)[C@@H](C)N(C)CC[NH+](C)C)c1 ZINC000111139740 186357884 /nfs/dbraw/zinc/35/78/84/186357884.db2.gz SJZHSWBBJLQKQS-CQSZACIVSA-N 1 0 262.397 2.368 10 0 CEAERO CC[C@H]([NH3+])Cc1noc([C@H]2CCOc3ccccc32)n1 ZINC000111189450 186368032 /nfs/dbraw/zinc/36/80/32/186368032.db2.gz GIXKABXSAWIGIM-JQWIXIFHSA-N 1 0 273.336 2.264 10 0 CEAERO COc1cccc([C@@H](C)C(=O)N2CCCC[C@H]2C[NH3+])c1 ZINC000130900153 366003973 /nfs/dbraw/zinc/00/39/73/366003973.db2.gz ODQOHDYKECNPAN-OCCSQVGLSA-N 1 0 276.380 2.139 10 0 CEAERO COc1ccc([C@@H](O)[C@@H](C)[N@H+](C)CC2CCOCC2)cc1 ZINC000111168822 186364046 /nfs/dbraw/zinc/36/40/46/186364046.db2.gz MHNSRZOCPKPGBN-DYVFJYSZSA-N 1 0 293.407 2.476 10 0 CEAERO O=C(C[NH2+]CC1CCOCC1)Nc1ccccc1Cl ZINC000111162361 186364104 /nfs/dbraw/zinc/36/41/04/186364104.db2.gz UXQFNHAITOXSBI-UHFFFAOYSA-N 1 0 282.771 2.295 10 0 CEAERO C[N@H+](C[C@@H]1CCCOC1)[C@@H]1CCCCCC[C@@H]1O ZINC000111168510 186364335 /nfs/dbraw/zinc/36/43/35/186364335.db2.gz OVBBBGKOOVIQIE-ZNMIVQPWSA-N 1 0 255.402 2.429 10 0 CEAERO CN(C[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)C[C@@H]1CCCOC1 ZINC000111179250 186366586 /nfs/dbraw/zinc/36/65/86/186366586.db2.gz QDRBCSDRTVCDMT-VGWMRTNUSA-N 1 0 266.429 2.266 10 0 CEAERO CC(C)[C@@H](C)[NH2+]CCSc1nnc(N(C)C)s1 ZINC000111317310 186396038 /nfs/dbraw/zinc/39/60/38/186396038.db2.gz WSOFUQXMTWZLIY-SECBINFHSA-N 1 0 274.459 2.330 10 0 CEAERO CN(C)c1nnc(SCCC[C@@H]2CCC[NH2+]2)s1 ZINC000111316598 186396372 /nfs/dbraw/zinc/39/63/72/186396372.db2.gz MZFHABBJIHQFTE-VIFPVBQESA-N 1 0 272.443 2.228 10 0 CEAERO C[NH2+]C[C@@]1(CN(C)c2ccccc2C)CCCOC1 ZINC000111327293 186398080 /nfs/dbraw/zinc/39/80/80/186398080.db2.gz HSEIEMPYESGURL-MRXNPFEDSA-N 1 0 262.397 2.447 10 0 CEAERO COc1cccc(-c2noc([C@@H]3C[NH2+]C[C@@H]3C)n2)c1 ZINC000111256398 186379134 /nfs/dbraw/zinc/37/91/34/186379134.db2.gz SSXOPLUISSCGCT-JOYOIKCWSA-N 1 0 259.309 2.068 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000111255806 186379349 /nfs/dbraw/zinc/37/93/49/186379349.db2.gz OAMHBSGDXQSVRV-NXEZZACHSA-N 1 0 273.336 2.047 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1c1nc(Cc2cc(F)cc(F)c2)no1 ZINC000111256528 186379540 /nfs/dbraw/zinc/37/95/40/186379540.db2.gz SGMSINKEEDEKPC-UFBFGSQYSA-N 1 0 279.290 2.262 10 0 CEAERO COc1ccc2nc(NC(=O)[C@H]3C[NH2+]C[C@H]3C)sc2c1 ZINC000111263241 186380406 /nfs/dbraw/zinc/38/04/06/186380406.db2.gz FYNTUQQOXJEMLR-SCZZXKLOSA-N 1 0 291.376 2.099 10 0 CEAERO CC(C)OC(=O)c1ccc(NC(=O)[C@H]2C[NH2+]C[C@H]2C)cc1 ZINC000111265145 186381614 /nfs/dbraw/zinc/38/16/14/186381614.db2.gz SIJZNSJKNRRJHY-RISCZKNCSA-N 1 0 290.363 2.046 10 0 CEAERO CCOc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)c(C)c1 ZINC000111267718 186382361 /nfs/dbraw/zinc/38/23/61/186382361.db2.gz IJEQKQPPYZZXQJ-DGCLKSJQSA-N 1 0 262.353 2.188 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc(-n2cccc2)c1 ZINC000111266997 186383108 /nfs/dbraw/zinc/38/31/08/186383108.db2.gz XFPDTWQCMIPJHA-SWLSCSKDSA-N 1 0 269.348 2.271 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(N(C)C)c(Cl)c1 ZINC000111267692 186383399 /nfs/dbraw/zinc/38/33/99/186383399.db2.gz KBRKDXIVNGHVDK-KOLCDFICSA-N 1 0 281.787 2.200 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000111267998 186383447 /nfs/dbraw/zinc/38/34/47/186383447.db2.gz LNBWDPZXNVGXLB-RISCZKNCSA-N 1 0 296.798 2.033 10 0 CEAERO COc1ccc([C@H]2CCCN2C(=O)[C@@H]2C[NH2+]C[C@@H]2C)cc1 ZINC000111268043 186383490 /nfs/dbraw/zinc/38/34/90/186383490.db2.gz UNJKNGHVJJKEDF-APHBMKBZSA-N 1 0 288.391 2.214 10 0 CEAERO CCCOC(=O)c1ccc(NC(=O)[C@@H]2C[NH2+]C[C@@H]2C)cc1 ZINC000111271391 186384075 /nfs/dbraw/zinc/38/40/75/186384075.db2.gz GMZTWJYZGJOYML-SMDDNHRTSA-N 1 0 290.363 2.047 10 0 CEAERO CCCOC(=O)c1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2C)cc1 ZINC000111271392 186384471 /nfs/dbraw/zinc/38/44/71/186384471.db2.gz GMZTWJYZGJOYML-FZMZJTMJSA-N 1 0 290.363 2.047 10 0 CEAERO C[C@@H](NC(=O)c1ccc(C[NH3+])cn1)c1cccc(F)c1 ZINC000111281858 186387914 /nfs/dbraw/zinc/38/79/14/186387914.db2.gz ZOIQUAVKEAAPAD-SNVBAGLBSA-N 1 0 273.311 2.170 10 0 CEAERO Cc1cccc(NC(=O)c2ccc(C[NH3+])cn2)c1C ZINC000111281082 186388551 /nfs/dbraw/zinc/38/85/51/186388551.db2.gz FECYYLZNKADPNS-UHFFFAOYSA-N 1 0 255.321 2.409 10 0 CEAERO CCN(C(=O)c1ccc2[nH]ccc2c1)[C@H]1CCC[NH2+]C1 ZINC000111289286 186391413 /nfs/dbraw/zinc/39/14/13/186391413.db2.gz UBNMKZNPUCFCTR-AWEZNQCLSA-N 1 0 271.364 2.382 10 0 CEAERO Cc1c(Cl)ncnc1OCC[C@@H]1CCC[N@H+]1C ZINC000111294102 186392791 /nfs/dbraw/zinc/39/27/91/186392791.db2.gz CCKKGSSXHUILQG-JTQLQIEISA-N 1 0 255.749 2.302 10 0 CEAERO CCC1(CC)CCN(c2c(C(N)=[NH2+])c(C)nn2C)CC1 ZINC000111358725 186404748 /nfs/dbraw/zinc/40/47/48/186404748.db2.gz ZGUFEZJWADAGDY-UHFFFAOYSA-N 1 0 277.416 2.419 10 0 CEAERO CCCS(=O)(=O)c1ccccc1NC[C@@H]([NH3+])CC ZINC000111304798 186393464 /nfs/dbraw/zinc/39/34/64/186393464.db2.gz SEYBJLPOJTXSCD-NSHDSACASA-N 1 0 270.398 2.020 10 0 CEAERO CC[NH2+][C@@H](Cc1ncc[nH]1)c1ccc2c(c1)COC2 ZINC000111305761 186393942 /nfs/dbraw/zinc/39/39/42/186393942.db2.gz XHDVHWYJFRQGPD-AWEZNQCLSA-N 1 0 257.337 2.333 10 0 CEAERO Cc1cc(CC[NH3+])ccc1N1CCCSCC1 ZINC000111486183 186423027 /nfs/dbraw/zinc/42/30/27/186423027.db2.gz BUPUGAXJHJXCED-UHFFFAOYSA-N 1 0 250.411 2.440 10 0 CEAERO CCc1c(C)nn(-c2nc3sccn3c2CC[NH3+])c1C ZINC000111514628 186425775 /nfs/dbraw/zinc/42/57/75/186425775.db2.gz ICCIRXFLOBBMBS-UHFFFAOYSA-N 1 0 289.408 2.262 10 0 CEAERO CC[C@H]([NH3+])Cc1c(-n2nc(C)cc2C)nc2ccccn21 ZINC000111512566 186426263 /nfs/dbraw/zinc/42/62/63/186426263.db2.gz LKGCDVLXSXBEIJ-ZDUSSCGKSA-N 1 0 283.379 2.417 10 0 CEAERO CC(C)CCS(=O)(=O)N(C)[C@@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000111656949 186438623 /nfs/dbraw/zinc/43/86/23/186438623.db2.gz AJMBBWKSKAYCHX-KGLIPLIRSA-N 1 0 290.473 2.202 10 0 CEAERO CC[NH2+]C[C@H]1CCCCN1CC(=O)NC1CCCCCC1 ZINC000111701329 186446213 /nfs/dbraw/zinc/44/62/13/186446213.db2.gz KTQZLYHUJITRNI-MRXNPFEDSA-N 1 0 295.471 2.289 10 0 CEAERO CC[NH2+][C@H](C)[C@H]1CCCCN1[C@@H](C)C(=O)NC1CCCC1 ZINC000111711294 186449620 /nfs/dbraw/zinc/44/96/20/186449620.db2.gz LLJINRFMIFJYFI-IJEWVQPXSA-N 1 0 295.471 2.286 10 0 CEAERO CCCCN(CC[NH3+])C(=O)c1ccccc1OC(F)F ZINC000111362719 186405404 /nfs/dbraw/zinc/40/54/04/186405404.db2.gz IZWRIIWAUNYZMN-UHFFFAOYSA-N 1 0 286.322 2.489 10 0 CEAERO COc1cccc(C(=O)N[C@]2(C[NH3+])CCC[C@@H](C)C2)c1 ZINC000111369690 186407512 /nfs/dbraw/zinc/40/75/12/186407512.db2.gz JLURXDRYLSISRA-MLGOLLRUSA-N 1 0 276.380 2.333 10 0 CEAERO C[C@@H]1CCC[C@@](C[NH3+])(N2C(=O)Cc3ccccc3C2=O)C1 ZINC000111382510 186410478 /nfs/dbraw/zinc/41/04/78/186410478.db2.gz UWLQCXWZTCXRFD-SJKOYZFVSA-N 1 0 286.375 2.119 10 0 CEAERO CC(C)C[C@@H](C[NH3+])N1C(=O)CC2(CCCCC2)C1=O ZINC000111382337 186411199 /nfs/dbraw/zinc/41/11/99/186411199.db2.gz WXMHOXHDFKPWHZ-LBPRGKRZSA-N 1 0 266.385 2.069 10 0 CEAERO CC[C@H]1CCC[N@@H+]1C[C@H](O)COCc1ccccc1 ZINC000070069743 363026229 /nfs/dbraw/zinc/02/62/29/363026229.db2.gz HIZCKMZRBQUCME-HOTGVXAUSA-N 1 0 263.381 2.439 10 0 CEAERO COc1cccc(C[NH2+][C@H](CC(C)C)CN(C)C)n1 ZINC000070093451 363031825 /nfs/dbraw/zinc/03/18/25/363031825.db2.gz QDWOJJAYCWGXBF-CQSZACIVSA-N 1 0 265.401 2.156 10 0 CEAERO CCOC(=O)CCC[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000070272553 363065861 /nfs/dbraw/zinc/06/58/61/363065861.db2.gz SDJQANYMTNBDRZ-LBPRGKRZSA-N 1 0 293.363 2.452 10 0 CEAERO C[C@H](NC(=O)CC[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000070307695 363068670 /nfs/dbraw/zinc/06/86/70/363068670.db2.gz YAGLMIZEBWNPNO-STQMWFEESA-N 1 0 252.402 2.461 10 0 CEAERO CCO[C@@H]1CCC[N@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000070197483 363052752 /nfs/dbraw/zinc/05/27/52/363052752.db2.gz LNZGPJMJLYDWJG-DLBZAZTESA-N 1 0 293.407 2.065 10 0 CEAERO COC(=O)c1ccccc1CN1CCS[C@@H](C)C1 ZINC000131300969 366039507 /nfs/dbraw/zinc/03/95/07/366039507.db2.gz RVHMVPRKOMPERQ-NSHDSACASA-N 1 0 265.378 2.411 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@@H](O)C(C)C)c1C ZINC000131328753 366043199 /nfs/dbraw/zinc/04/31/99/366043199.db2.gz CAVNPSBXODLWHO-GXFFZTMASA-N 1 0 253.390 2.187 10 0 CEAERO Cc1ccc(-c2cc(N3CCC[NH2+]CC3)n[nH]2)cc1 ZINC000070459999 363087653 /nfs/dbraw/zinc/08/76/53/363087653.db2.gz YXVNHYWIQRKMLZ-UHFFFAOYSA-N 1 0 256.353 2.185 10 0 CEAERO COc1ccc(-c2nc(C)c(C)c(N3CC[C@H]([NH3+])C3)n2)cc1 ZINC000070455859 363085342 /nfs/dbraw/zinc/08/53/42/363085342.db2.gz GSYPOHITQCPBMY-AWEZNQCLSA-N 1 0 298.390 2.306 10 0 CEAERO CCCC[C@H](CC)C(=O)N1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630361523 351711921 /nfs/dbraw/zinc/71/19/21/351711921.db2.gz MMWOJBMJEYEKRJ-KCQAQPDRSA-N 1 0 270.417 2.168 10 0 CEAERO CO[C@@H]1CN(Cc2ccc(SC)cc2)[C@](C)(C[NH3+])C1 ZINC000630361126 351711948 /nfs/dbraw/zinc/71/19/48/351711948.db2.gz LUJIYQPEPFHJNW-ZFWWWQNUSA-N 1 0 280.437 2.347 10 0 CEAERO CO[C@H]1CN(C(=O)CC2CCCCCC2)[C@](C)(C[NH3+])C1 ZINC000630362955 351712300 /nfs/dbraw/zinc/71/23/00/351712300.db2.gz ALTUVNQATUYOIY-ZBFHGGJFSA-N 1 0 282.428 2.312 10 0 CEAERO CO[C@H]1CN(Cc2ccc(C)c(C)c2)[C@@](C)(C[NH3+])C1 ZINC000630365021 351712898 /nfs/dbraw/zinc/71/28/98/351712898.db2.gz HHILLYGLTTXSSU-HZPDHXFCSA-N 1 0 262.397 2.242 10 0 CEAERO Fc1cc(F)cc(-c2ccc(N3CCC[NH2+]CC3)nn2)c1 ZINC000070458513 363085761 /nfs/dbraw/zinc/08/57/61/363085761.db2.gz OAYSUPGALFPMPM-UHFFFAOYSA-N 1 0 290.317 2.222 10 0 CEAERO [NH3+][C@@H]1CCCCCN(c2ncnc3sccc32)C1 ZINC000630548284 351779811 /nfs/dbraw/zinc/77/98/11/351779811.db2.gz BYPBXAKMOYHYPG-SNVBAGLBSA-N 1 0 262.382 2.399 10 0 CEAERO [NH3+][C@@H]1CCCCCN(c2ncnc3ccsc32)C1 ZINC000630550617 351781435 /nfs/dbraw/zinc/78/14/35/351781435.db2.gz WCCBOOLSTPTIHM-SNVBAGLBSA-N 1 0 262.382 2.399 10 0 CEAERO [NH3+][C@H]1CCCCCN(c2ncnc3ccccc32)C1 ZINC000630551101 351782062 /nfs/dbraw/zinc/78/20/62/351782062.db2.gz YMURIGHFYVLIBD-LBPRGKRZSA-N 1 0 256.353 2.338 10 0 CEAERO C[C@@H]1CN(c2ccc(C(F)(F)F)cn2)C[C@H]1C[NH3+] ZINC000630572196 351788547 /nfs/dbraw/zinc/78/85/47/351788547.db2.gz PVHRFWOWUQVTFH-RKDXNWHRSA-N 1 0 259.275 2.131 10 0 CEAERO Cc1cnc(N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)nc1C ZINC000630525277 351772719 /nfs/dbraw/zinc/77/27/19/351772719.db2.gz CWGGQKQTUMLFIT-WDEREUQCSA-N 1 0 288.317 2.057 10 0 CEAERO C[C@@H](NC(=O)C(C)(C)C[NH3+])c1ccc(F)c(F)c1 ZINC000122934930 187060678 /nfs/dbraw/zinc/06/06/78/187060678.db2.gz UFUPDYDBSKLZHR-MRVPVSSYSA-N 1 0 256.296 2.127 10 0 CEAERO C[C@H](NC(=O)C(C)(C)C[NH3+])c1ccc(F)c(F)c1 ZINC000122934693 187060766 /nfs/dbraw/zinc/06/07/66/187060766.db2.gz UFUPDYDBSKLZHR-QMMMGPOBSA-N 1 0 256.296 2.127 10 0 CEAERO [NH3+]C[C@@H]1CCCN1Cc1csc(-c2ccco2)n1 ZINC000123376136 187088223 /nfs/dbraw/zinc/08/82/23/187088223.db2.gz WCGKVQAPWKDMLP-NSHDSACASA-N 1 0 263.366 2.326 10 0 CEAERO C[C@H](C[NH2+][C@@H](C)c1cccc(F)c1)N1CCOCC1 ZINC000123483856 187094363 /nfs/dbraw/zinc/09/43/63/187094363.db2.gz FIHMRCASGJCVLZ-OLZOCXBDSA-N 1 0 266.360 2.197 10 0 CEAERO CSCCCNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000123849080 187111615 /nfs/dbraw/zinc/11/16/15/187111615.db2.gz TUBPQHUODFQGLD-CQSZACIVSA-N 1 0 280.437 2.029 10 0 CEAERO CC(=O)c1cccc(NC(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)c1 ZINC000123934248 187115105 /nfs/dbraw/zinc/11/51/05/187115105.db2.gz MTEQGMLPWFDUIL-NHYWBVRUSA-N 1 0 289.379 2.303 10 0 CEAERO CC(=O)c1cccc(NC(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)c1 ZINC000123934485 187115338 /nfs/dbraw/zinc/11/53/38/187115338.db2.gz MTEQGMLPWFDUIL-IAQYHMDHSA-N 1 0 289.379 2.303 10 0 CEAERO CCc1nc(Cl)c(C)c(N2C[C@@H](C)[C@H]([NH+](C)C)C2)n1 ZINC000123982107 187116998 /nfs/dbraw/zinc/11/69/98/187116998.db2.gz MXCKFEATQNLFOU-MWLCHTKSSA-N 1 0 282.819 2.387 10 0 CEAERO CCCN(CC(F)(F)F)C(=O)C[C@H]([NH3+])C(C)C ZINC000148567116 539830201 /nfs/dbraw/zinc/83/02/01/539830201.db2.gz MZLCIIOZXAHHRF-VIFPVBQESA-N 1 0 254.296 2.161 10 0 CEAERO CC(C)(C)OC(=O)Nc1cccc(F)c1C(N)=[NH2+] ZINC000070660083 363101873 /nfs/dbraw/zinc/10/18/73/363101873.db2.gz LBDGABJIUBQWER-UHFFFAOYSA-N 1 0 253.277 2.457 10 0 CEAERO C[C@H]1CN(Cc2cc(Br)cs2)C[C@H]1[NH3+] ZINC000261527509 539852701 /nfs/dbraw/zinc/85/27/01/539852701.db2.gz CBGZHAXCQDVZGN-OIBJUYFYSA-N 1 0 275.215 2.290 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@H](C)c2cc(C)oc2C)C1 ZINC000252641685 539884197 /nfs/dbraw/zinc/88/41/97/539884197.db2.gz MCWIXDMTEMNAHK-TZMCWYRMSA-N 1 0 266.385 2.268 10 0 CEAERO CN(c1ncnc2c1CCCC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000094872435 539886831 /nfs/dbraw/zinc/88/68/31/539886831.db2.gz DFCDEBPXFUDEAI-FUNVUKJBSA-N 1 0 272.396 2.075 10 0 CEAERO Cc1ccsc1CNC(=O)C1CCC([NH3+])CC1 ZINC000094876521 539887178 /nfs/dbraw/zinc/88/71/78/539887178.db2.gz BWOIAJBGPISKDC-UHFFFAOYSA-N 1 0 252.383 2.190 10 0 CEAERO COc1c(C[NH2+]CCOC2CCCCC2)c(C)nn1C ZINC000134153388 187730725 /nfs/dbraw/zinc/73/07/25/187730725.db2.gz XINAQAGYGMITJP-UHFFFAOYSA-N 1 0 281.400 2.176 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N[C@H]1CCOc2ccccc21 ZINC000250844291 539969333 /nfs/dbraw/zinc/96/93/33/539969333.db2.gz HSCQCVVTPYBRGX-SCRDCRAPSA-N 1 0 274.364 2.001 10 0 CEAERO CCc1onc(C)c1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000154228692 188130018 /nfs/dbraw/zinc/13/00/18/188130018.db2.gz POEYACZNKMFCFM-JQWIXIFHSA-N 1 0 294.399 2.396 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc3[nH]cnc3c2)[C@@H](C)C1 ZINC000155362926 188200989 /nfs/dbraw/zinc/20/09/89/188200989.db2.gz ZGKDKCDLEAPZRL-NHYWBVRUSA-N 1 0 286.379 2.021 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)Cc2cc(F)ccc2F)[C@@H](C)C1 ZINC000155428350 188205358 /nfs/dbraw/zinc/20/53/58/188205358.db2.gz UYZCCARQEMICFJ-NHYWBVRUSA-N 1 0 296.361 2.352 10 0 CEAERO C[NH+](C)C[C@@H]1CN(C/C=C/c2ccc(F)cc2)CCO1 ZINC000156645302 188274841 /nfs/dbraw/zinc/27/48/41/188274841.db2.gz VQNDNECWPBUXAG-QDLOVBKTSA-N 1 0 278.371 2.101 10 0 CEAERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)C(C)C)C1 ZINC000073441228 363219450 /nfs/dbraw/zinc/21/94/50/363219450.db2.gz TWXJDMVJYGACEF-KBPBESRZSA-N 1 0 269.433 2.404 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccncc1Cl ZINC000073846993 363256874 /nfs/dbraw/zinc/25/68/74/363256874.db2.gz YOSVRRKSEFZVQV-LLVKDONJSA-N 1 0 283.803 2.441 10 0 CEAERO CCCN(C)c1ncc(Br)c(NC)n1 ZINC000132034845 366111427 /nfs/dbraw/zinc/11/14/27/366111427.db2.gz LJIRTRXVUACYLE-UHFFFAOYSA-N 1 0 259.151 2.127 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)N(C)Cc2ccco2)[C@@H](C)C1 ZINC000132255340 366130689 /nfs/dbraw/zinc/13/06/89/366130689.db2.gz QFSUNDNDJKRYPS-JSGCOSHPSA-N 1 0 279.384 2.150 10 0 CEAERO Cn1nccc1C1CCN(CC[NH+]2CCCCC2)CC1 ZINC000132257827 366131018 /nfs/dbraw/zinc/13/10/18/366131018.db2.gz SZRUXRDKVWYFDS-UHFFFAOYSA-N 1 0 276.428 2.085 10 0 CEAERO C[C@@H]1COC[C@@H](C)N1C[C@H](O)COc1ccccc1Cl ZINC000133186736 366202549 /nfs/dbraw/zinc/20/25/49/366202549.db2.gz AWGOMJKCCPSMDU-UPJWGTAASA-N 1 0 299.798 2.189 10 0 CEAERO C[C@@H]([NH3+])CCC(=O)N[C@@H](C)c1cc(F)ccc1F ZINC000070315197 540059600 /nfs/dbraw/zinc/05/96/00/540059600.db2.gz VVUIPLIJTCSROP-BDAKNGLRSA-N 1 0 256.296 2.269 10 0 CEAERO COc1cc(Br)cc2cc(C[NH3+])c(OC)nc21 ZINC000675069924 540110159 /nfs/dbraw/zinc/11/01/59/540110159.db2.gz MQOQSQBZPRHLBA-UHFFFAOYSA-N 1 0 297.152 2.473 10 0 CEAERO CC[C@@H]1C[N@H+](C[C@@H]2CCC[C@@H](O)C2)[C@@H](CC)CO1 ZINC000403935028 540118084 /nfs/dbraw/zinc/11/80/84/540118084.db2.gz LTOHGVIMZWXQLI-LXTVHRRPSA-N 1 0 255.402 2.427 10 0 CEAERO CC(C)C(=O)N1[C@@H](CC[NH3+])CCC[C@@H]1C(F)(F)F ZINC000675072289 540113600 /nfs/dbraw/zinc/11/36/00/540113600.db2.gz BFILUYYBFVHPGX-NXEZZACHSA-N 1 0 266.307 2.303 10 0 CEAERO CCc1cc(CC)nc(N2CCC(CC[NH3+])CC2)n1 ZINC000382135998 540146434 /nfs/dbraw/zinc/14/64/34/540146434.db2.gz ZDHWPVHFCSJRMH-UHFFFAOYSA-N 1 0 262.401 2.167 10 0 CEAERO COc1c(C[NH2+]CCc2ccccc2F)c(C)nn1C ZINC000134103481 366287048 /nfs/dbraw/zinc/28/70/48/366287048.db2.gz LAADYNGWLOFDGQ-UHFFFAOYSA-N 1 0 277.343 2.209 10 0 CEAERO COc1cccc(Cl)c1CC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000134155131 366292512 /nfs/dbraw/zinc/29/25/12/366292512.db2.gz SKMUEWANVRYGHF-NSHDSACASA-N 1 0 296.798 2.054 10 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CC(C)[C@H]1CCCN(C(=O)C2(C[NH3+])CCOCC2)CC1 ZINC000079307945 363588185 /nfs/dbraw/zinc/58/81/85/363588185.db2.gz WJXKLBKTNCJMGR-AWEZNQCLSA-N 1 0 282.428 2.027 10 0 CEAERO Cc1ncsc1C[N@H+](C)C[C@H]1CCC[C@H](O)C1 ZINC000310095954 540335973 /nfs/dbraw/zinc/33/59/73/540335973.db2.gz AKILKTVYVLHLIM-RYUDHWBXSA-N 1 0 254.399 2.434 10 0 CEAERO CCN1CC[C@H]([NH2+]Cc2c(C)nc3sc(C)cn23)C1 ZINC000389533480 540358706 /nfs/dbraw/zinc/35/87/06/540358706.db2.gz ITWNZZZNDSMFOT-LBPRGKRZSA-N 1 0 278.425 2.196 10 0 CEAERO C[C@@H]([NH2+]CCCOc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000578004989 366428339 /nfs/dbraw/zinc/42/83/39/366428339.db2.gz ZCGRRXCNDLBPHP-HUUCEWRRSA-N 1 0 262.397 2.433 10 0 CEAERO C[C@]1(C(=O)Nc2nc3ccccc3s2)CCC[NH2+]1 ZINC000079511126 363611021 /nfs/dbraw/zinc/61/10/21/363611021.db2.gz DLHRTWLSPDBLIJ-CYBMUJFWSA-N 1 0 261.350 2.377 10 0 CEAERO C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCCCC[C@H]2O)cc1 ZINC000135957555 366484857 /nfs/dbraw/zinc/48/48/57/366484857.db2.gz BDNBHPUAXLTFBL-HZPDHXFCSA-N 1 0 290.407 2.172 10 0 CEAERO [NH3+]CC1(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)CCOCC1 ZINC000261878556 283424339 /nfs/dbraw/zinc/42/43/39/283424339.db2.gz DZSUDCFFPKGTEV-QLFBSQMISA-N 1 0 294.439 2.217 10 0 CEAERO Cn1ccnc1[C@@H]1OCC[C@H]1C[N@H+](C)Cc1cccnc1 ZINC000667947842 540538002 /nfs/dbraw/zinc/53/80/02/540538002.db2.gz CYEOZMLSNMKHEE-LSDHHAIUSA-N 1 0 286.379 2.025 10 0 CEAERO [NH3+]C[C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000044532050 283469316 /nfs/dbraw/zinc/46/93/16/283469316.db2.gz WVESBYSWHBJSAQ-VIFPVBQESA-N 1 0 259.275 2.276 10 0 CEAERO C[C@H]([NH3+])Cc1ccnc(C(Cl)(Cl)Cl)n1 ZINC000685956328 540651316 /nfs/dbraw/zinc/65/13/16/540651316.db2.gz QYIHJDKHZCFHCC-YFKPBYRVSA-N 1 0 254.548 2.193 10 0 CEAERO CCC[C@@H](C(=O)N[C@@H](C)c1nc2ccccc2[nH]1)[NH+](C)C ZINC000133161658 283475467 /nfs/dbraw/zinc/47/54/67/283475467.db2.gz YHUCVNPPUGZLIS-FZMZJTMJSA-N 1 0 288.395 2.470 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1Nc1nccc(C(F)(F)F)n1 ZINC000089092405 283479879 /nfs/dbraw/zinc/47/98/79/283479879.db2.gz GIYXLZJGPVPQDG-YUMQZZPRSA-N 1 0 260.263 2.035 10 0 CEAERO Cc1nn(C)cc1C[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000148858251 366585403 /nfs/dbraw/zinc/58/54/03/366585403.db2.gz QKDZIOMSYUBFFZ-LLVKDONJSA-N 1 0 287.363 2.351 10 0 CEAERO C[C@@H](NC[C@H](O)C[NH+]1CCCCC1)c1cccc(F)c1 ZINC000151325318 366639198 /nfs/dbraw/zinc/63/91/98/366639198.db2.gz QTMXPIUBFOVSJS-CJNGLKHVSA-N 1 0 280.387 2.323 10 0 CEAERO C[C@H](NC[C@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000151325649 366640055 /nfs/dbraw/zinc/64/00/55/366640055.db2.gz VLCAVSGWBWPFQG-BBRMVZONSA-N 1 0 280.387 2.323 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1scnc1C ZINC000177027826 189022110 /nfs/dbraw/zinc/02/21/10/189022110.db2.gz AQUNVTARTQTVNK-NSHDSACASA-N 1 0 267.398 2.008 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CCc1cscn1 ZINC000177041168 189023142 /nfs/dbraw/zinc/02/31/42/189023142.db2.gz PLHQJHWTMVKJRK-CYBMUJFWSA-N 1 0 281.425 2.018 10 0 CEAERO C[C@@H](c1ccccn1)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000177125994 189030495 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ZINC000116310659 365050057 /nfs/dbraw/zinc/05/00/57/365050057.db2.gz CACQNCIDRQDVRL-OAHLLOKOSA-N 1 0 255.365 2.452 10 0 CEAERO CC[C@H](CC1CCCC1)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116788845 365067920 /nfs/dbraw/zinc/06/79/20/365067920.db2.gz GGNGKGGSTYCOKM-HZPDHXFCSA-N 1 0 296.455 2.382 10 0 CEAERO c1cn2c(n1)CC[C@@H](C[NH2+]Cc1ccc3c(c1)OCCO3)C2 ZINC000275579958 193078933 /nfs/dbraw/zinc/07/89/33/193078933.db2.gz OYAHDFXFSSINLR-AWEZNQCLSA-N 1 0 299.374 2.007 10 0 CEAERO CC[C@H](C)C[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000120391580 365416955 /nfs/dbraw/zinc/41/69/55/365416955.db2.gz SDTIAOCIBCHIKJ-UONOGXRCSA-N 1 0 262.401 2.423 10 0 CEAERO C[C@@H](O)CN1CC[N@H+](CCCC2CCCC2)C[C@H]1C ZINC000120442383 365424957 /nfs/dbraw/zinc/42/49/57/365424957.db2.gz VUUIZSBLSJRCNL-HUUCEWRRSA-N 1 0 268.445 2.344 10 0 CEAERO COCC[N@@H+]1CCN(Cc2cc(F)cc(F)c2)C[C@@H]1C ZINC000120777607 365474324 /nfs/dbraw/zinc/47/43/24/365474324.db2.gz NVJIKKFTNRLVHN-LBPRGKRZSA-N 1 0 284.350 2.117 10 0 CEAERO CC[C@@H]1C[N@H+](Cc2cccs2)CCN1CCOC ZINC000120925710 365497655 /nfs/dbraw/zinc/49/76/55/365497655.db2.gz FMTKRXSEQBKNLP-CYBMUJFWSA-N 1 0 268.426 2.291 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N(C)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000161701143 283885766 /nfs/dbraw/zinc/88/57/66/283885766.db2.gz PWQPQHAPXFLTKI-IHRRRGAJSA-N 1 0 282.428 2.310 10 0 CEAERO CCCc1noc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2CC)n1 ZINC000245429876 370818689 /nfs/dbraw/zinc/81/86/89/370818689.db2.gz NHUDUKXFLVBPOD-OLZOCXBDSA-N 1 0 278.400 2.081 10 0 CEAERO C[C@H]1CN(C(=O)CC2CCCCCC2)C[C@@H]1C[NH3+] ZINC000638886090 370820739 /nfs/dbraw/zinc/82/07/39/370820739.db2.gz FYMSDKKDIPXGNA-JSGCOSHPSA-N 1 0 252.402 2.400 10 0 CEAERO CC(C)Oc1ccc(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000638887156 370821953 /nfs/dbraw/zinc/82/19/53/370821953.db2.gz UKWYPXGFLMWUID-JSGCOSHPSA-N 1 0 276.380 2.141 10 0 CEAERO C[C@H]1CN(C(=O)CCc2ccccc2Cl)C[C@@H]1C[NH3+] ZINC000638890007 370824266 /nfs/dbraw/zinc/82/42/66/370824266.db2.gz WIMVVSXEAJEDMD-AAEUAGOBSA-N 1 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/nfs/dbraw/zinc/84/73/40/370847340.db2.gz IKQNPGZHCXQWLM-KGLIPLIRSA-N 1 0 279.428 2.493 10 0 CEAERO CC(C)C(=O)N1CC[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000616569242 367231885 /nfs/dbraw/zinc/23/18/85/367231885.db2.gz HLHXVLHNALXPLK-UONOGXRCSA-N 1 0 264.344 2.125 10 0 CEAERO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1C[C@@H]1C)c1ccco1 ZINC000170813257 367421646 /nfs/dbraw/zinc/42/16/46/367421646.db2.gz HDVUQZZRDGVXLU-RWMBFGLXSA-N 1 0 279.384 2.370 10 0 CEAERO C[C@H]1CN2CCCC[C@@H]2C[N@@H+]1Cc1ccc(CO)cc1 ZINC000168739475 367359072 /nfs/dbraw/zinc/35/90/72/367359072.db2.gz HZOAKYXXHFXCCS-WMLDXEAASA-N 1 0 274.408 2.238 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccc3scnc3c2)C1 ZINC000171083745 367474856 /nfs/dbraw/zinc/47/48/56/367474856.db2.gz MQROOHBXZZWWPB-NSHDSACASA-N 1 0 290.392 2.464 10 0 CEAERO C[C@@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)c1cccs1 ZINC000170863206 367434772 /nfs/dbraw/zinc/43/47/72/367434772.db2.gz LVSGNRJNXGVXQJ-MNOVXSKESA-N 1 0 267.398 2.155 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(F)cc2Cl)C1 ZINC000170863123 367434978 /nfs/dbraw/zinc/43/49/78/367434978.db2.gz RSTDWIFQHVWRQS-SNVBAGLBSA-N 1 0 270.735 2.255 10 0 CEAERO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(Cl)s2)C[C@@H]1C ZINC000170937559 367450769 /nfs/dbraw/zinc/45/07/69/367450769.db2.gz ARSFDRDMRSHZKU-WDEREUQCSA-N 1 0 288.844 2.288 10 0 CEAERO O=C(CCCc1ccccn1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000171451684 367544758 /nfs/dbraw/zinc/54/47/58/367544758.db2.gz DSWFIJYCQDEHKJ-INIZCTEOSA-N 1 0 287.407 2.101 10 0 CEAERO COC[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000171522898 367561040 /nfs/dbraw/zinc/56/10/40/367561040.db2.gz AOHWLNBHPXSCMU-CQSZACIVSA-N 1 0 290.407 2.181 10 0 CEAERO CC[C@H](CC(=O)NC[C@H]1CN(C)CCO1)c1ccccc1 ZINC000171535896 367562172 /nfs/dbraw/zinc/56/21/72/367562172.db2.gz ODAMLASJMZYUKF-ZBFHGGJFSA-N 1 0 290.407 2.017 10 0 CEAERO c1cc(-c2nc(CN3CC[N@@H+]4CCC[C@@H]4C3)no2)cs1 ZINC000171641163 367584518 /nfs/dbraw/zinc/58/45/18/367584518.db2.gz BNWYDFCFBSIKLA-GFCCVEGCSA-N 1 0 290.392 2.078 10 0 CEAERO c1cnnc(NC2CC[NH+]([C@@H]3C=CCCC3)CC2)c1 ZINC000171745974 367607813 /nfs/dbraw/zinc/60/78/13/367607813.db2.gz JVLSEWXKMUNXRF-CQSZACIVSA-N 1 0 258.369 2.462 10 0 CEAERO O=C(NCC[NH+]1CCCC1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000171770345 367614115 /nfs/dbraw/zinc/61/41/15/367614115.db2.gz BNLCMCQBFNWRSS-QWHCGFSZSA-N 1 0 294.345 2.280 10 0 CEAERO O=C([C@H]1CSc2ccccc21)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172380154 367729828 /nfs/dbraw/zinc/72/98/28/367729828.db2.gz AUOXLYGXXUNPDR-OCCSQVGLSA-N 1 0 288.416 2.183 10 0 CEAERO C[C@@H]1CSCC[N@@H+]1C[C@@H](O)COCc1ccccc1 ZINC000172435929 367742320 /nfs/dbraw/zinc/74/23/20/367742320.db2.gz ASDVCNUWFPXZOI-UKRRQHHQSA-N 1 0 281.421 2.001 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](C)C(C)C)C1 ZINC000172479320 367755721 /nfs/dbraw/zinc/75/57/21/367755721.db2.gz WNWVDWXGGDJCBJ-OLZOCXBDSA-N 1 0 255.406 2.062 10 0 CEAERO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CCCn1ccnc1 ZINC000245874149 370882178 /nfs/dbraw/zinc/88/21/78/370882178.db2.gz LXOTVEZEZVELPZ-KFWWJZLASA-N 1 0 291.395 2.079 10 0 CEAERO Fc1cccc(F)c1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000245766210 370871160 /nfs/dbraw/zinc/87/11/60/370871160.db2.gz QVHKAXGNXBKUPZ-NSHDSACASA-N 1 0 252.308 2.245 10 0 CEAERO C[C@H](CNC(=O)N1CCS[C@@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000245809635 370875028 /nfs/dbraw/zinc/87/50/28/370875028.db2.gz GBNMLDVRNVBNQO-MCIONIFRSA-N 1 0 299.484 2.254 10 0 CEAERO C[C@H](CC1CCC1)NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000638995841 370895173 /nfs/dbraw/zinc/89/51/73/370895173.db2.gz GQBOCUHQXZBJGW-FBIMIBRVSA-N 1 0 278.318 2.079 10 0 CEAERO CCc1nc(NC(=O)[C@H]2CCC[NH2+][C@@H]2C)sc1C ZINC000335530625 212224019 /nfs/dbraw/zinc/22/40/19/212224019.db2.gz AWMOYSUCRPMRKG-SCZZXKLOSA-N 1 0 267.398 2.341 10 0 CEAERO Cc1ccc(S(=O)(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000173885375 367954436 /nfs/dbraw/zinc/95/44/36/367954436.db2.gz MWPDSJPMODPBCX-DZGCQCFKSA-N 1 0 296.436 2.002 10 0 CEAERO CC[C@H]1CN(C(=O)CCC2CCCC2)CC[N@@H+]1C[C@@H](C)O ZINC000174639872 368051077 /nfs/dbraw/zinc/05/10/77/368051077.db2.gz XRMKWEZOXZUNKZ-ZBFHGGJFSA-N 1 0 296.455 2.260 10 0 CEAERO Cc1nc(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)sc1C ZINC000176374674 368231120 /nfs/dbraw/zinc/23/11/20/368231120.db2.gz NOASSJDTPIBXIK-LBPRGKRZSA-N 1 0 276.409 2.483 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H](OC)C(C)(C)C ZINC000177562780 368272360 /nfs/dbraw/zinc/27/23/60/368272360.db2.gz XALUSNGRLOUBNY-KBPBESRZSA-N 1 0 299.459 2.173 10 0 CEAERO Cc1nc(-c2c[nH]c(C(=O)N3CC[C@@H]([NH3+])[C@H]3C)c2)cs1 ZINC000335506284 212189569 /nfs/dbraw/zinc/18/95/69/212189569.db2.gz XIFBGJWAXMHFLO-LDYMZIIASA-N 1 0 290.392 2.008 10 0 CEAERO CCC[C@@H](C(=O)NC[C@@H](OC)c1ccccc1)[NH+](C)C ZINC000178651760 368307704 /nfs/dbraw/zinc/30/77/04/368307704.db2.gz WXFTXHUTKYENER-LSDHHAIUSA-N 1 0 278.396 2.221 10 0 CEAERO Cc1c2cc(F)ccc2oc1C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000335499234 212180211 /nfs/dbraw/zinc/18/02/11/212180211.db2.gz CEHAGTBHXVKBSZ-SKDRFNHKSA-N 1 0 276.311 2.442 10 0 CEAERO Nc1nc(CN2CCO[C@@H]3CCCC[C@@H]32)nc2ccccc12 ZINC000181106779 368422206 /nfs/dbraw/zinc/42/22/06/368422206.db2.gz DDHYEQNTZGGVHT-LSDHHAIUSA-N 1 0 298.390 2.355 10 0 CEAERO C[C@H]1CN(C(=O)C2(c3ccc(Cl)cc3)CC2)C[C@@H]1[NH3+] ZINC000335485273 212160061 /nfs/dbraw/zinc/16/00/61/212160061.db2.gz ZAUSUBLSNHQFEI-GWCFXTLKSA-N 1 0 278.783 2.177 10 0 CEAERO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)CC3CC3)C2=O)n(C)n1 ZINC000182335768 368555028 /nfs/dbraw/zinc/55/50/28/368555028.db2.gz VAKMPGKUWLGGBQ-FZMZJTMJSA-N 1 0 290.411 2.002 10 0 CEAERO CCCS(=O)(=O)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000182742355 368584769 /nfs/dbraw/zinc/58/47/69/368584769.db2.gz VENUXMKWEMTVEJ-AWEZNQCLSA-N 1 0 294.420 2.211 10 0 CEAERO C[C@@H]1CCCC[C@H]1C[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000182969477 368603471 /nfs/dbraw/zinc/60/34/71/368603471.db2.gz FQTURNNNDQXJQM-HZSPNIEDSA-N 1 0 252.402 2.365 10 0 CEAERO OC[C@H]1C[C@H](O)C[N@@H+]1C1c2ccccc2-c2ccccc21 ZINC000184724415 368715855 /nfs/dbraw/zinc/71/58/55/368715855.db2.gz CCKIIXUWSWOKRT-OLZOCXBDSA-N 1 0 281.355 2.184 10 0 CEAERO C[C@H]1C[C@@H]1NC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000246110127 370910958 /nfs/dbraw/zinc/91/09/58/370910958.db2.gz LNGRLTOCXVBYSJ-CRWXNKLISA-N 1 0 281.444 2.451 10 0 CEAERO C[C@H](C(=O)Nc1ccc(Cl)cn1)N1CCS[C@@H](C)C1 ZINC000246136189 370913958 /nfs/dbraw/zinc/91/39/58/370913958.db2.gz NGTHYODTBKEFMH-VHSXEESVSA-N 1 0 299.827 2.499 10 0 CEAERO CCOC(C[N@@H+]1CCC[C@H](Cc2noc(C)n2)C1)OCC ZINC000184964817 368730806 /nfs/dbraw/zinc/73/08/06/368730806.db2.gz IOAIMPJMRCCVJQ-CYBMUJFWSA-N 1 0 297.399 2.032 10 0 CEAERO CCOC(C[N@@H+]1CC[C@H](CNc2ccccn2)C1)OCC ZINC000184973133 368732963 /nfs/dbraw/zinc/73/29/63/368732963.db2.gz RSVRGGCHAJNJTA-CQSZACIVSA-N 1 0 293.411 2.215 10 0 CEAERO CCc1ncsc1C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1CC ZINC000246260549 370937164 /nfs/dbraw/zinc/93/71/64/370937164.db2.gz LBCXFYQUENCEKF-VXGBXAGGSA-N 1 0 293.436 2.404 10 0 CEAERO OC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1Oc1ccccc1 ZINC000185190297 368764551 /nfs/dbraw/zinc/76/45/51/368764551.db2.gz CWTHTRONCMOHCE-CVEARBPZSA-N 1 0 299.370 2.406 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1CCCS1 ZINC000246295994 370942785 /nfs/dbraw/zinc/94/27/85/370942785.db2.gz CTBIVCJBZVURGY-MGPQQGTHSA-N 1 0 297.468 2.150 10 0 CEAERO C[C@@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)c1cn(C)c2ccccc12 ZINC000185304469 368783479 /nfs/dbraw/zinc/78/34/79/368783479.db2.gz UHRWCKKNPDIDHK-ZIAGYGMSSA-N 1 0 299.418 2.444 10 0 CEAERO CC(C)CC1(CNC(=O)[C@]23CCC[C@H]2C[NH2+]C3)CC1 ZINC000634761802 368869075 /nfs/dbraw/zinc/86/90/75/368869075.db2.gz JMBIWCQTOJACTN-BBRMVZONSA-N 1 0 264.413 2.319 10 0 CEAERO CC[C@]1(C)CCN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634760859 368869321 /nfs/dbraw/zinc/86/93/21/368869321.db2.gz NATUZTMMKMILNN-CFVMTHIKSA-N 1 0 250.386 2.025 10 0 CEAERO Cc1ccc(NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)cc1F ZINC000634736146 368849731 /nfs/dbraw/zinc/84/97/31/368849731.db2.gz BJZGMMMZEVZSQG-NHYWBVRUSA-N 1 0 262.328 2.462 10 0 CEAERO COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)CCC1CC1 ZINC000186388948 368966874 /nfs/dbraw/zinc/96/68/74/368966874.db2.gz UNQHIRBBQSCGRV-AAEUAGOBSA-N 1 0 278.400 2.428 10 0 CEAERO CCn1nc(CN2C[C@H](C)[C@H](C[NH3+])C2)c2ccccc21 ZINC000634999662 369036119 /nfs/dbraw/zinc/03/61/19/369036119.db2.gz XNKGFKYZGPMBMB-QWHCGFSZSA-N 1 0 272.396 2.083 10 0 CEAERO Cc1ccc([C@H](C)[NH2+][C@H](C)C2CCS(=O)(=O)CC2)o1 ZINC000186934588 369071697 /nfs/dbraw/zinc/07/16/97/369071697.db2.gz WKBDMPZERUUDTD-NEPJUHHUSA-N 1 0 285.409 2.452 10 0 CEAERO CCC[C@H](C(=O)N(C)CC1(O)CCCCCC1)[NH+](C)C ZINC000186940990 369072307 /nfs/dbraw/zinc/07/23/07/369072307.db2.gz CRLCOPYACSJPDQ-CQSZACIVSA-N 1 0 284.444 2.260 10 0 CEAERO OC[C@H]1C[N@H+](Cc2cccnc2)C[C@H]1c1ccsc1 ZINC000188105501 369297524 /nfs/dbraw/zinc/29/75/24/369297524.db2.gz AJURISJGVRQKID-CABCVRRESA-N 1 0 274.389 2.351 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc(F)c(Cl)cc1F ZINC000229585923 189800131 /nfs/dbraw/zinc/80/01/31/189800131.db2.gz 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2.165 10 0 CEAERO COC(=O)c1cccnc1C[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC000302474565 379378902 /nfs/dbraw/zinc/37/89/02/379378902.db2.gz ZRXBCGBCSKGFTA-VXGBXAGGSA-N 1 0 262.353 2.489 10 0 CEAERO O[C@@H]1CCCC[C@H]1[NH2+]CCSCC(F)(F)F ZINC000517395105 379362439 /nfs/dbraw/zinc/36/24/39/379362439.db2.gz AYKLAQNTBMSYEN-RKDXNWHRSA-N 1 0 257.321 2.175 10 0 CEAERO CCCCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)N2CCOCC2)C1(C)C ZINC000181438393 542272887 /nfs/dbraw/zinc/27/28/87/542272887.db2.gz XYSXQTUSIXIPDD-OWCLPIDISA-N 1 0 298.471 2.281 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CCCO2)C12CCOCC2 ZINC000186240652 270249234 /nfs/dbraw/zinc/24/92/34/270249234.db2.gz FRMKQXNKHJOQHA-ZQDZILKHSA-N 1 0 283.412 2.118 10 0 CEAERO Cc1cccnc1/C=C\C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000492582346 380612622 /nfs/dbraw/zinc/61/26/22/380612622.db2.gz PDPDBXRTOFDRBF-WHLNPGIBSA-N 1 0 289.423 2.496 10 0 CEAERO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)COCc1ccccc1 ZINC000183045600 542286196 /nfs/dbraw/zinc/28/61/96/542286196.db2.gz FAHUJHWHMCOEDJ-ZIAGYGMSSA-N 1 0 299.436 2.005 10 0 CEAERO CC1(C)CN(C(=O)NC[C@@H]2CCCCS2)CC[C@@H]1[NH3+] ZINC000334951553 207346219 /nfs/dbraw/zinc/34/62/19/207346219.db2.gz QWJJQRUDQBSDTH-RYUDHWBXSA-N 1 0 285.457 2.041 10 0 CEAERO C[C@H]([NH2+]C[C@H](O)c1cc(F)ccc1F)[C@H]1CCCO1 ZINC000037889945 184543336 /nfs/dbraw/zinc/54/33/36/184543336.db2.gz SULPWUCLMQMXSY-QCZZGDTMSA-N 1 0 271.307 2.155 10 0 CEAERO COc1ccc2ccccc2c1[C@@H]1[C@@H]([NH3+])CCC(=O)N1C ZINC000070985211 184574147 /nfs/dbraw/zinc/57/41/47/184574147.db2.gz IDFNZDYPJRKXEY-GUYCJALGSA-N 1 0 284.359 2.469 10 0 CEAERO CC[C@H](C)N(C)c1nc2c(cc1C(N)=[NH2+])CCCC2 ZINC000043410395 184559589 /nfs/dbraw/zinc/55/95/89/184559589.db2.gz PNAVWTWPODWFAE-JTQLQIEISA-N 1 0 260.385 2.479 10 0 CEAERO Nc1ccccc1[C@@H](O)C[NH+]1CCc2ccccc2CC1 ZINC000079570420 184593259 /nfs/dbraw/zinc/59/32/59/184593259.db2.gz IQTUUJULBUTIIF-SFHVURJKSA-N 1 0 282.387 2.403 10 0 CEAERO CC[NH2+][C@H](CC)CSc1nnc2n1CCCCC2 ZINC000081865782 184598394 /nfs/dbraw/zinc/59/83/94/184598394.db2.gz XTLTXCUEYKNEFA-LLVKDONJSA-N 1 0 268.430 2.485 10 0 CEAERO C[NH2+][C@H](C)CCSc1nnc2n1CCCCC2 ZINC000081865808 184598701 /nfs/dbraw/zinc/59/87/01/184598701.db2.gz KGQCSNGZHKTPCJ-SNVBAGLBSA-N 1 0 254.403 2.095 10 0 CEAERO COC[C@H](NC(=O)CC[C@@H](CC[NH3+])C(C)C)C(C)C ZINC000086698684 184609864 /nfs/dbraw/zinc/60/98/64/184609864.db2.gz NLTXABUYOIRIMW-KBPBESRZSA-N 1 0 272.433 2.175 10 0 CEAERO COC[C@@H](C(C)C)n1c2c(nc1C(F)(F)F)C[NH2+]CC2 ZINC000086708481 184609878 /nfs/dbraw/zinc/60/98/78/184609878.db2.gz MYMHMHAPSLIDQW-NSHDSACASA-N 1 0 291.317 2.391 10 0 CEAERO CC[NH2+]Cc1cc(S(=O)(=O)N2[C@H](C)CCC[C@H]2C)c[nH]1 ZINC000088926586 184614061 /nfs/dbraw/zinc/61/40/61/184614061.db2.gz LKKBLZFOSCFLSS-VXGBXAGGSA-N 1 0 299.440 2.076 10 0 CEAERO CCC[NH2+]C[C@H](C)S(=O)(=O)N(CC)c1ccccc1 ZINC000088921237 184614311 /nfs/dbraw/zinc/61/43/11/184614311.db2.gz QIFYECLAWLYOGR-ZDUSSCGKSA-N 1 0 284.425 2.231 10 0 CEAERO CCC[NH2+]CCCCS(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000088919229 184614646 /nfs/dbraw/zinc/61/46/46/184614646.db2.gz JJFMYHSKLQFRHX-ZIAGYGMSSA-N 1 0 290.473 2.074 10 0 CEAERO CCCN(C)S(=O)(=O)c1cccc(C[NH2+]C(C)C)c1 ZINC000088947046 184615191 /nfs/dbraw/zinc/61/51/91/184615191.db2.gz GTAJICMGFLMWMC-UHFFFAOYSA-N 1 0 284.425 2.215 10 0 CEAERO CC(C)c1nc(N2CCC[C@H]([NH+](C)C)C2)sc1CO ZINC000093010843 184642218 /nfs/dbraw/zinc/64/22/18/184642218.db2.gz FGAPNNQQLPLOAI-NSHDSACASA-N 1 0 283.441 2.289 10 0 CEAERO CCOC(=O)c1c(C)nsc1N[C@H](C)CC[NH+](C)C ZINC000092913896 184634229 /nfs/dbraw/zinc/63/42/29/184634229.db2.gz MICLHEICDZVSTD-SECBINFHSA-N 1 0 285.413 2.380 10 0 CEAERO COc1ccccc1[C@H](C)N(C)C(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000092954163 184637682 /nfs/dbraw/zinc/63/76/82/184637682.db2.gz AOCUYZXRYQNPCO-FRRDWIJNSA-N 1 0 276.380 2.213 10 0 CEAERO CC[N@H+](CCCC(=O)Nc1ccccc1N)CC(C)(C)O ZINC000092965218 184637828 /nfs/dbraw/zinc/63/78/28/184637828.db2.gz CGDPOFDOYOHKDJ-UHFFFAOYSA-N 1 0 293.411 2.080 10 0 CEAERO Cc1ccccc1C1(Cc2ncnn2C(C)C)C[NH2+]C1 ZINC000093196254 184654875 /nfs/dbraw/zinc/65/48/75/184654875.db2.gz LHLYWHJLROTYLH-UHFFFAOYSA-N 1 0 270.380 2.251 10 0 CEAERO Cn1cc([C@@H]2CC[NH2+]C[C@@H]2c2ccc(F)cc2)cn1 ZINC000093154638 184651905 /nfs/dbraw/zinc/65/19/05/184651905.db2.gz YYQPLHJKCURKRP-LSDHHAIUSA-N 1 0 259.328 2.420 10 0 CEAERO COCC[NH2+]C[C@@H](Cc1cnn(C)c1)c1cccc(F)c1 ZINC000093165166 184653130 /nfs/dbraw/zinc/65/31/30/184653130.db2.gz SQQSRMZPPGONDV-OAHLLOKOSA-N 1 0 291.370 2.122 10 0 CEAERO Cn1ncnc1C[C@H](C[NH2+]C1CC1)c1cccc(F)c1 ZINC000093164528 184653309 /nfs/dbraw/zinc/65/33/09/184653309.db2.gz NHERUTPNSFFTBG-GFCCVEGCSA-N 1 0 274.343 2.033 10 0 CEAERO CCS(=O)(=O)CCC[C@H](C[NH2+]C)c1ccccc1F ZINC000093178661 184653379 /nfs/dbraw/zinc/65/33/79/184653379.db2.gz UOSZLVUFRHRLSH-GFCCVEGCSA-N 1 0 287.400 2.344 10 0 CEAERO CC(C)Cn1ncnc1C[C@@H](C[NH3+])c1ccccc1F ZINC000093179327 184653483 /nfs/dbraw/zinc/65/34/83/184653483.db2.gz XNPHKSSGPHPCKI-LBPRGKRZSA-N 1 0 276.359 2.358 10 0 CEAERO COCC[NH2+]Cc1cn(C)nc1-c1ccc(C)s1 ZINC000093297544 184661522 /nfs/dbraw/zinc/66/15/22/184661522.db2.gz AAPIMARQKHQKQY-UHFFFAOYSA-N 1 0 265.382 2.193 10 0 CEAERO CC(C)[NH2+]Cc1cn(C)nc1-c1ccc2c(c1)OCO2 ZINC000093297178 184661658 /nfs/dbraw/zinc/66/16/58/184661658.db2.gz PMWAOASOZSHDDR-UHFFFAOYSA-N 1 0 273.336 2.314 10 0 CEAERO COC(=O)c1ccc(Cl)c(N[C@@H]2CC[C@@H]([NH3+])C2)c1 ZINC000093206640 184656026 /nfs/dbraw/zinc/65/60/26/184656026.db2.gz WVJGBQSWUJRKPE-NXEZZACHSA-N 1 0 268.744 2.418 10 0 CEAERO COC(=O)c1ccc(F)c(N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000093211747 184656275 /nfs/dbraw/zinc/65/62/75/184656275.db2.gz BCIJCBXHJYCABN-GHMZBOCLSA-N 1 0 266.316 2.294 10 0 CEAERO [NH3+][C@@H]1CCC[C@H](Nc2ccc(-n3cncn3)c(F)c2)C1 ZINC000093215129 184656374 /nfs/dbraw/zinc/65/63/74/184656374.db2.gz GZVHABNRPCRDQF-MNOVXSKESA-N 1 0 275.331 2.088 10 0 CEAERO [NH3+]CCOCC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000093230487 184657390 /nfs/dbraw/zinc/65/73/90/184657390.db2.gz GXSICJNKKQJTAL-UHFFFAOYSA-N 1 0 282.343 2.172 10 0 CEAERO C[C@@H]1C[C@@H]([NH+]2CCC(c3cnn(C)c3)CC2)CCO1 ZINC000335377701 208315437 /nfs/dbraw/zinc/31/54/37/208315437.db2.gz JXCFVMFSTPEELN-DOMZBBRYSA-N 1 0 263.385 2.167 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)N(C)C1CCCCC1 ZINC000175362409 285239243 /nfs/dbraw/zinc/23/92/43/285239243.db2.gz WZIJRKHFSRMULS-MRXNPFEDSA-N 1 0 295.471 2.194 10 0 CEAERO COc1ncccc1CN[C@@H](C)C[C@H]1CCCC[NH2+]1 ZINC000093486026 184683067 /nfs/dbraw/zinc/68/30/67/184683067.db2.gz OKAHKXOJRJDGEK-GXTWGEPZSA-N 1 0 263.385 2.101 10 0 CEAERO CCN1C(=[NH2+])NC[C@@H]1c1ccc(OC)c(Cl)c1 ZINC000093358059 184667889 /nfs/dbraw/zinc/66/78/89/184667889.db2.gz TUCILEOVDITICQ-SNVBAGLBSA-N 1 0 253.733 2.040 10 0 CEAERO COCCN1C(=[NH2+])NC[C@@H]1c1ccc(C(C)C)cc1 ZINC000093380063 184668885 /nfs/dbraw/zinc/66/88/85/184668885.db2.gz FHJQVXBRZUOEPQ-CQSZACIVSA-N 1 0 261.369 2.128 10 0 CEAERO NC(=O)c1ccc(N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000093450891 184676672 /nfs/dbraw/zinc/67/66/72/184676672.db2.gz DCICBJOZOBUJLJ-SOUVJXGZSA-N 1 0 273.380 2.118 10 0 CEAERO C[C@H](C[C@@H]1CCCC[NH2+]1)Nc1cccc(C(N)=O)c1 ZINC000093473436 184680890 /nfs/dbraw/zinc/68/08/90/184680890.db2.gz RFSSZWWWUGTUMY-YPMHNXCESA-N 1 0 261.369 2.118 10 0 CEAERO CNC(=O)c1cccc(N[C@H](C)C[C@@H]2CCCC[NH2+]2)c1 ZINC000093473432 184680972 /nfs/dbraw/zinc/68/09/72/184680972.db2.gz ISSWDILNJMWBNM-OCCSQVGLSA-N 1 0 275.396 2.379 10 0 CEAERO CC(C)[NH2+]CCCS(=O)(=O)c1ccc(F)cc1F ZINC000081933078 177902261 /nfs/dbraw/zinc/90/22/61/177902261.db2.gz HOHXFBBWBXBMBO-UHFFFAOYSA-N 1 0 277.336 2.127 10 0 CEAERO COc1ccc([C@H]([NH3+])[C@@H](C)S(=O)(=O)CC(C)C)cc1 ZINC000081929325 177900167 /nfs/dbraw/zinc/90/01/67/177900167.db2.gz HNIPPARQUSSYIT-BXUZGUMPSA-N 1 0 285.409 2.154 10 0 CEAERO CCC[NH2+][C@@H]1CCC(C)(C)C[C@H]1S(=O)(=O)CC ZINC000081925294 177898149 /nfs/dbraw/zinc/89/81/49/177898149.db2.gz RZIOHLHPQYUGPD-VXGBXAGGSA-N 1 0 261.431 2.368 10 0 CEAERO CCC[NH2+][C@@H]1CCC[C@@H]1S(=O)(=O)c1cccc(OC)c1 ZINC000081923450 177896635 /nfs/dbraw/zinc/89/66/35/177896635.db2.gz LGTJIZKXZILYQR-CABCVRRESA-N 1 0 297.420 2.390 10 0 CEAERO CCC[C@@H](CS(=O)(=O)c1ccccc1F)[NH2+]CC ZINC000081922994 177896167 /nfs/dbraw/zinc/89/61/67/177896167.db2.gz OPTPOMIRCVFQNQ-NSHDSACASA-N 1 0 273.373 2.378 10 0 CEAERO C[NH2+][C@@H](C)CCS(=O)(=O)c1cc(C)ccc1C ZINC000081922323 177895760 /nfs/dbraw/zinc/89/57/60/177895760.db2.gz KVIKTAICRALCOS-LBPRGKRZSA-N 1 0 255.383 2.075 10 0 CEAERO C[NH2+][C@@H]1CCOC[C@@H]1Sc1ccccc1OC ZINC000081889943 177878332 /nfs/dbraw/zinc/87/83/32/177878332.db2.gz JQFFKOYPMZRACM-MFKMUULPSA-N 1 0 253.367 2.164 10 0 CEAERO CCC[NH2+][C@H]1CCC[C@@H]1Sc1nnc(C)n1C ZINC000081886346 177877815 /nfs/dbraw/zinc/87/78/15/177877815.db2.gz DYEAVLCSECHLIB-QWRGUYRKSA-N 1 0 254.403 2.136 10 0 CEAERO CC[C@@H]1CC[C@H]([NH2+]C)[C@H](Sc2n[nH]c(=O)n2C2CC2)C1 ZINC000081880055 177874160 /nfs/dbraw/zinc/87/41/60/177874160.db2.gz FCBRNVGTDBHRAL-ADEWGFFLSA-N 1 0 296.440 2.165 10 0 CEAERO CCC[NH2+][C@@H]1CCOC[C@H]1Sc1nc(C)cc(C)n1 ZINC000081878204 177872682 /nfs/dbraw/zinc/87/26/82/177872682.db2.gz JNERUDJQOXWSFC-CHWSQXEVSA-N 1 0 281.425 2.343 10 0 CEAERO O[C@@H]1CCCC[C@@H]1[N@@H+]1CCOc2ccc(F)cc2C1 ZINC000336453768 285311764 /nfs/dbraw/zinc/31/17/64/285311764.db2.gz PSJYNADCIGPXOS-UONOGXRCSA-N 1 0 265.328 2.324 10 0 CEAERO COC[C@@H]1CC[N@@H+]([C@@H]2CCc3ccccc3[C@@H]2O)C1 ZINC000081111595 177771942 /nfs/dbraw/zinc/77/19/42/177771942.db2.gz PQIWKNPHMITRGJ-WQVCFCJDSA-N 1 0 261.365 2.003 10 0 CEAERO COC[C@H]1CCN(c2c(F)cc(C[C@@H](C)[NH3+])cc2F)C1 ZINC000081121462 177775743 /nfs/dbraw/zinc/77/57/43/177775743.db2.gz ADWBNXYUMVIPEO-MNOVXSKESA-N 1 0 284.350 2.327 10 0 CEAERO CC[C@@](C)(CO)[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000080898005 177724632 /nfs/dbraw/zinc/72/46/32/177724632.db2.gz WZDZVZVMMWMCJS-STQMWFEESA-N 1 0 291.313 2.489 10 0 CEAERO CC[NH2+]Cc1cccc2c1ccn2Cc1nnc(C)o1 ZINC000080336371 177643277 /nfs/dbraw/zinc/64/32/77/177643277.db2.gz YXQRXFBWRRSFLP-UHFFFAOYSA-N 1 0 270.336 2.491 10 0 CEAERO CCCCNC(=O)Cn1ccc2c1cccc2C[NH3+] ZINC000080335176 177642831 /nfs/dbraw/zinc/64/28/31/177642831.db2.gz IIWHQZIVEGBABY-UHFFFAOYSA-N 1 0 259.353 2.016 10 0 CEAERO COCC[NH2+]CCCCc1ccc(OC)c(F)c1 ZINC000080392406 177649688 /nfs/dbraw/zinc/64/96/88/177649688.db2.gz UKJVQAKNIWTIOF-UHFFFAOYSA-N 1 0 255.333 2.393 10 0 CEAERO O=C(c1nc2ccccc2s1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000179645797 260060477 /nfs/dbraw/zinc/06/04/77/260060477.db2.gz IJEFVHXCWJFSCP-NSHDSACASA-N 1 0 287.388 2.217 10 0 CEAERO CCc1ccccc1O[C@@H]1CC[C@@]([NH3+])(C(=O)OC)C1 ZINC000093846699 184732391 /nfs/dbraw/zinc/73/23/91/184732391.db2.gz GEURLEVBVXVFAJ-DOMZBBRYSA-N 1 0 263.337 2.051 10 0 CEAERO CCOC(=O)[C@]1([NH3+])CC[C@@H](Oc2cc(F)ccc2F)C1 ZINC000093847603 184732561 /nfs/dbraw/zinc/73/25/61/184732561.db2.gz IZJIHUQMRKSZKX-YGRLFVJLSA-N 1 0 285.290 2.157 10 0 CEAERO CC(C)[NH2+][C@@]1(C(=O)[O-])CCC[C@@H]1CC[N@H+](C)C(C)C ZINC000093584263 184692257 /nfs/dbraw/zinc/69/22/57/184692257.db2.gz QNGALVROZVGSQN-HIFRSBDPSA-N 1 0 270.417 2.338 10 0 CEAERO CCOC(=O)[C@]1([NH3+])CCC[C@H]1CCn1cc(Cl)c(C)n1 ZINC000093616010 184695990 /nfs/dbraw/zinc/69/59/90/184695990.db2.gz ROORMMGRKHFBRB-FZMZJTMJSA-N 1 0 299.802 2.296 10 0 CEAERO C[NH2+][C@]1(CO)CCC[C@@H]1CCn1cc(C(F)(F)F)cn1 ZINC000093618561 184696887 /nfs/dbraw/zinc/69/68/87/184696887.db2.gz HNDCELIPXHYUNB-PWSUYJOCSA-N 1 0 291.317 2.043 10 0 CEAERO CCC[NH2+][C@@H]1CCC[C@H]1CCS(=O)(=O)CCC ZINC000093623425 184697871 /nfs/dbraw/zinc/69/78/71/184697871.db2.gz MVVIXVNSFCQPGM-QWHCGFSZSA-N 1 0 261.431 2.370 10 0 CEAERO CCC[C@H](CCC[C@@H]1CCCN(S(C)(=O)=O)C1)[NH2+]C ZINC000093702236 184707981 /nfs/dbraw/zinc/70/79/81/184707981.db2.gz XZCSZOUZMRBQMI-ZIAGYGMSSA-N 1 0 290.473 2.216 10 0 CEAERO CCCC1CC[NH+]([C@H]2CCC[C@@](NCC)(C(N)=O)C2)CC1 ZINC000093752972 184714098 /nfs/dbraw/zinc/71/40/98/184714098.db2.gz KFPGLJCNSBACIO-RDJZCZTQSA-N 1 0 295.471 2.275 10 0 CEAERO Cc1cc(C)n([C@@H]2CCC[C@](CO)([NH2+]C(C)C)C2)n1 ZINC000093784131 184721469 /nfs/dbraw/zinc/72/14/69/184721469.db2.gz BHSRANYIYPFEOG-CABCVRRESA-N 1 0 265.401 2.344 10 0 CEAERO CCC(=O)Nc1cccc(NCC2CC[NH2+]CC2)c1 ZINC000094009578 184749760 /nfs/dbraw/zinc/74/97/60/184749760.db2.gz VUVYNEANWLJVDF-UHFFFAOYSA-N 1 0 261.369 2.447 10 0 CEAERO CCCN(CC1CC[NH2+]CC1)C(=O)c1ccc(C)o1 ZINC000094022879 184751375 /nfs/dbraw/zinc/75/13/75/184751375.db2.gz OAWLHERSQXOARC-UHFFFAOYSA-N 1 0 264.369 2.440 10 0 CEAERO CCN(CC1CC[NH2+]CC1)C(=O)N1CCC(C)CC1 ZINC000094023599 184751394 /nfs/dbraw/zinc/75/13/94/184751394.db2.gz DZNAVDFXGIZFJC-UHFFFAOYSA-N 1 0 267.417 2.160 10 0 CEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1c1ncc(Cl)cc1F ZINC000094052629 184753087 /nfs/dbraw/zinc/75/30/87/184753087.db2.gz ACRQLVFPHJOENE-UBHAPETDSA-N 1 0 269.751 2.308 10 0 CEAERO CC[NH2+]CCc1nnc(-c2ccc(OC)c(O)c2)s1 ZINC000094067576 184753253 /nfs/dbraw/zinc/75/32/53/184753253.db2.gz SUFSMXZFHKARNC-UHFFFAOYSA-N 1 0 279.365 2.071 10 0 CEAERO COc1ccc(C(=O)N(CC[NH3+])C2CCCCC2)cc1O ZINC000094067387 184753723 /nfs/dbraw/zinc/75/37/23/184753723.db2.gz ZQPIKBQJHHRWGQ-UHFFFAOYSA-N 1 0 292.379 2.134 10 0 CEAERO CCc1ccc(C[C@@](O)([C@@H]([NH3+])CC)C(F)(F)F)nc1 ZINC000094110088 184755328 /nfs/dbraw/zinc/75/53/28/184755328.db2.gz KBTLIQMZYRDPPL-NWDGAFQWSA-N 1 0 276.302 2.217 10 0 CEAERO CC[NH2+][C@@H](Cc1ccc(CC)cn1)c1ccncn1 ZINC000094118087 184755877 /nfs/dbraw/zinc/75/58/77/184755877.db2.gz RWBZGQRYSDBNNM-HNNXBMFYSA-N 1 0 256.353 2.327 10 0 CEAERO CCn1ccnc1C[C@@H](Cc1ccc(F)cc1)[NH2+]C ZINC000094145222 184756603 /nfs/dbraw/zinc/75/66/03/184756603.db2.gz WQFSKANUTGLRRH-CQSZACIVSA-N 1 0 261.344 2.415 10 0 CEAERO CCn1c(C[C@@](C)(O)[C@H]2CCC[NH2+]C2)nc2ccccc21 ZINC000094167207 184758143 /nfs/dbraw/zinc/75/81/43/184758143.db2.gz IYCYCMRSPBOROG-SUMWQHHRSA-N 1 0 287.407 2.349 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](C2CCCCC2)CN1c1ccn(C)n1 ZINC000094197958 184762387 /nfs/dbraw/zinc/76/23/87/184762387.db2.gz FDLIFNHBVJXAST-TZMCWYRMSA-N 1 0 262.401 2.167 10 0 CEAERO O[C@@]1(Cc2nc(-c3ccccc3)cs2)CCC[NH2+]C1 ZINC000094254164 184770175 /nfs/dbraw/zinc/77/01/75/184770175.db2.gz DGNZJGWWFWCMIX-OAHLLOKOSA-N 1 0 274.389 2.467 10 0 CEAERO CN(Cc1cnn(C)c1)[C@@]1(C[NH3+])CCCCC1(C)C ZINC000094280686 184775070 /nfs/dbraw/zinc/77/50/70/184775070.db2.gz PBCBKVMFJJYXNU-OAHLLOKOSA-N 1 0 264.417 2.150 10 0 CEAERO C[NH2+][C@H]1[C@H](S(=O)(=O)c2ccc(F)cc2)CCC1(C)C ZINC000094310996 184778826 /nfs/dbraw/zinc/77/88/26/184778826.db2.gz WHLRSARICZJJTD-OLZOCXBDSA-N 1 0 285.384 2.376 10 0 CEAERO Cc1nc(C[C@]2(C[NH3+])CCC(C)(C)[C@H]2O)cs1 ZINC000094314881 184779350 /nfs/dbraw/zinc/77/93/50/184779350.db2.gz DBWCRVURBUBCIO-YPMHNXCESA-N 1 0 254.399 2.120 10 0 CEAERO Nc1cccc2oc(NCCC[NH+]3CCCC3)nc21 ZINC000094354514 184787421 /nfs/dbraw/zinc/78/74/21/184787421.db2.gz BXCACYHLIWQCKN-UHFFFAOYSA-N 1 0 260.341 2.308 10 0 CEAERO Fc1cc(F)cc(CC[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c1 ZINC000094372072 184791057 /nfs/dbraw/zinc/79/10/57/184791057.db2.gz BZEJQNRCTQLEIY-HZPDHXFCSA-N 1 0 297.345 2.435 10 0 CEAERO NC(=S)C1CC[NH+]([C@@H]2CCOC3(CCC3)C2)CC1 ZINC000094376124 184791106 /nfs/dbraw/zinc/79/11/06/184791106.db2.gz RTUOCSXNZHRUQZ-GFCCVEGCSA-N 1 0 268.426 2.086 10 0 CEAERO C[C@@H]1C[NH+]([C@@H]2CCOC3(CCSCC3)C2)C[C@@H](C)N1 ZINC000094384105 184792332 /nfs/dbraw/zinc/79/23/32/184792332.db2.gz KSELBJVTMMZBSS-MGPQQGTHSA-N 1 0 284.469 2.113 10 0 CEAERO CC[C@]([NH3+])(COC)[C@H]1CCOC2(CCSCC2)C1 ZINC000094391081 184792937 /nfs/dbraw/zinc/79/29/37/184792937.db2.gz XUZCBTWJJXEXCX-JSGCOSHPSA-N 1 0 273.442 2.433 10 0 CEAERO CCOC(OCC)[C@H]([NH3+])[C@@H]1CCOC2(CCC2)C1 ZINC000094407985 184794146 /nfs/dbraw/zinc/79/41/46/184794146.db2.gz JPIOAGMMPOQUDF-VXGBXAGGSA-N 1 0 257.374 2.062 10 0 CEAERO CC(C)[NH2+]Cc1ncnn1[C@@H]1CCOC2(CCC2)C1 ZINC000094412818 184794358 /nfs/dbraw/zinc/79/43/58/184794358.db2.gz GYGLEYJKGBIBCS-GFCCVEGCSA-N 1 0 264.373 2.050 10 0 CEAERO OCC[C@H]1CCCC[N@@H+]1[C@@H]1CCOC2(CCC2)C1 ZINC000094410891 184794403 /nfs/dbraw/zinc/79/44/03/184794403.db2.gz IQGZUMSYLYWHNQ-ZIAGYGMSSA-N 1 0 253.386 2.325 10 0 CEAERO Cc1cc(CN2C[C@@H](C)[NH2+]Cc3ccccc32)n(C)n1 ZINC000094420728 184795378 /nfs/dbraw/zinc/79/53/78/184795378.db2.gz CNPUSFUHXQXRRU-CYBMUJFWSA-N 1 0 270.380 2.227 10 0 CEAERO [NH3+][C@H]1CCCCC[C@@H]1C(=O)Nc1ccc2c[nH]nc2c1 ZINC000094750736 184852424 /nfs/dbraw/zinc/85/24/24/184852424.db2.gz LAJXODHILCCMSL-STQMWFEESA-N 1 0 272.352 2.409 10 0 CEAERO COC(=O)c1ccc(C[NH2+][C@H](C)CC(C)C)nc1 ZINC000094759785 184855140 /nfs/dbraw/zinc/85/51/40/184855140.db2.gz CBBIPGURWRQXTJ-LLVKDONJSA-N 1 0 250.342 2.392 10 0 CEAERO CO[C@@H]1CCC[C@@H](OCc2ccc(C[NH3+])cn2)C1 ZINC000094761753 184855775 /nfs/dbraw/zinc/85/57/75/184855775.db2.gz OTAOFLXTKKINFI-ZIAGYGMSSA-N 1 0 250.342 2.015 10 0 CEAERO CC[NH+](CC)[C@H]1CCN(c2nc3cc(N)ccc3[nH]2)C1 ZINC000094770966 184857749 /nfs/dbraw/zinc/85/77/49/184857749.db2.gz VWSVZNMVLZPYEV-LBPRGKRZSA-N 1 0 273.384 2.066 10 0 CEAERO Cn1c(C[C@@H]([NH3+])[C@]2(C)CCCO2)nc2ccccc21 ZINC000094782406 184862920 /nfs/dbraw/zinc/86/29/20/184862920.db2.gz OVBPCQGBAJRQOV-HIFRSBDPSA-N 1 0 259.353 2.012 10 0 CEAERO C[C@@]1(c2noc(CC[C@H]3CCCC[NH2+]3)n2)CCCO1 ZINC000094780999 184863022 /nfs/dbraw/zinc/86/30/22/184863022.db2.gz ZCUUKAVFKIIAHV-RISCZKNCSA-N 1 0 265.357 2.170 10 0 CEAERO CCC1(CC)CCN(S(=O)(=O)CCC[NH2+]C(C)C)C1 ZINC000094805685 184870427 /nfs/dbraw/zinc/87/04/27/184870427.db2.gz GJTISWUBMMWQLC-UHFFFAOYSA-N 1 0 290.473 2.216 10 0 CEAERO COCC[NH2+]C[C@@H]1C[C@]1(C)c1cc(F)cc(F)c1 ZINC000094831347 184877938 /nfs/dbraw/zinc/87/79/38/184877938.db2.gz FVMQZYDNCJEGMQ-SMDDNHRTSA-N 1 0 255.308 2.478 10 0 CEAERO CC1(C)CSC[C@@H]([NH2+][C@H]2CCN(C3CC3)C2)C1 ZINC000094488625 184809343 /nfs/dbraw/zinc/80/93/43/184809343.db2.gz OQKJHPWUXDGQDQ-RYUDHWBXSA-N 1 0 254.443 2.344 10 0 CEAERO CC1(C)CSC[C@@H]([NH2+]CCCC(=O)NC2CC2)C1 ZINC000094489047 184809445 /nfs/dbraw/zinc/80/94/45/184809445.db2.gz SGDKEBYTDILEDR-LBPRGKRZSA-N 1 0 270.442 2.167 10 0 CEAERO CCc1ccsc1C(=O)N1C[C@H]([NH3+])C[C@H](C)C1 ZINC000094548873 184815665 /nfs/dbraw/zinc/81/56/65/184815665.db2.gz SHYWNKZUVCDSSV-GXSJLCMTSA-N 1 0 252.383 2.120 10 0 CEAERO C[C@@H]1C[C@@H]([NH3+])CN(C(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000094548944 184815994 /nfs/dbraw/zinc/81/59/94/184815994.db2.gz QUHZFPVHZATRDV-QDCKZUPOSA-N 1 0 276.424 2.399 10 0 CEAERO Cc1cc(C)c(O)c(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000094574368 184821202 /nfs/dbraw/zinc/82/12/02/184821202.db2.gz MABGPNUOEXJYSS-RYUDHWBXSA-N 1 0 262.353 2.465 10 0 CEAERO Cc1ccc2nc(N[C@H](C)C[NH+]3CCCCC3)nn2c1 ZINC000094604380 184824848 /nfs/dbraw/zinc/82/48/48/184824848.db2.gz BDIYHMIZWDGBSI-CYBMUJFWSA-N 1 0 273.384 2.324 10 0 CEAERO C[NH2+][C@@](CO)(CSc1ccncc1)c1ccccc1 ZINC000094616467 184826871 /nfs/dbraw/zinc/82/68/71/184826871.db2.gz GRXFIZOLAQPTJT-HNNXBMFYSA-N 1 0 274.389 2.281 10 0 CEAERO CC(C)OC[C@@H](O)COc1ccc(F)cc1[C@@H](C)[NH3+] ZINC000094619944 184827728 /nfs/dbraw/zinc/82/77/28/184827728.db2.gz ZRHUDTSZBIEEAT-ZYHUDNBSSA-N 1 0 271.332 2.010 10 0 CEAERO C[NH2+][C@](C)(C[C@H](C)Sc1cccc(F)c1)C(N)=O ZINC000094624101 184828593 /nfs/dbraw/zinc/82/85/93/184828593.db2.gz QGBDSYJONNYZAE-TVQRCGJNSA-N 1 0 270.373 2.160 10 0 CEAERO CC[C@@H](C)n1ccc(C[C@H]([NH3+])Cc2ccc(OC)nc2)n1 ZINC000094632225 184829489 /nfs/dbraw/zinc/82/94/89/184829489.db2.gz MFPAFQMIHCVFIX-TZMCWYRMSA-N 1 0 288.395 2.370 10 0 CEAERO COc1ccc(C[C@H]([NH3+])Cc2cccc(F)c2F)cn1 ZINC000094632336 184829993 /nfs/dbraw/zinc/82/99/93/184829993.db2.gz BZXAIQKFVIGGFP-LBPRGKRZSA-N 1 0 278.302 2.481 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1OC[C@@H]1Cc2cc(F)ccc2O1 ZINC000094673470 184837802 /nfs/dbraw/zinc/83/78/02/184837802.db2.gz HXJWYHFAKJBHGG-LEWSCRJBSA-N 1 0 265.328 2.286 10 0 CEAERO CC(C)n1ncnc1C[C@@H]([NH3+])c1ccc(Cl)cn1 ZINC000094843624 184879071 /nfs/dbraw/zinc/87/90/71/184879071.db2.gz OHVZTWZBLVKZCH-SNVBAGLBSA-N 1 0 265.748 2.150 10 0 CEAERO CC(C)C[C@H](C[NH3+])c1nc(CC(F)(F)F)no1 ZINC000094704401 184843739 /nfs/dbraw/zinc/84/37/39/184843739.db2.gz NQDLTWRYPSOBEX-SSDOTTSWSA-N 1 0 251.252 2.263 10 0 CEAERO CC(C)c1ccc([C@@H](O)C[NH2+]CC2(C)COC2)cc1 ZINC000094722316 184846394 /nfs/dbraw/zinc/84/63/94/184846394.db2.gz LZTKOBHJKNJUPF-HNNXBMFYSA-N 1 0 263.381 2.470 10 0 CEAERO CC[C@@H]([NH3+])[C@H](C)S(=O)(=O)Cc1cc(C)cc(C)c1 ZINC000094719858 184846406 /nfs/dbraw/zinc/84/64/06/184846406.db2.gz QOEURSGJNOOYLO-GXTWGEPZSA-N 1 0 269.410 2.344 10 0 CEAERO CC[C@@](C)([C@H]([NH3+])Cc1nc(C)c(C)s1)N1CCOCC1 ZINC000094974253 184909334 /nfs/dbraw/zinc/90/93/34/184909334.db2.gz VFERQQHELUGRLK-HIFRSBDPSA-N 1 0 297.468 2.131 10 0 CEAERO CC(C)[C@H]1CN(Cc2nccs2)C(C)(C)C[NH2+]1 ZINC000094979573 184910053 /nfs/dbraw/zinc/91/00/53/184910053.db2.gz RTFVDTFHYZRGJG-LLVKDONJSA-N 1 0 253.415 2.352 10 0 CEAERO CC(C)(C)c1csc(C[C@@]2(C[NH3+])CCC[C@H]2O)n1 ZINC000094981840 184910325 /nfs/dbraw/zinc/91/03/25/184910325.db2.gz DYGICTBBWGFAOM-BXUZGUMPSA-N 1 0 268.426 2.473 10 0 CEAERO CCC[C@]1(C(=O)Nc2ccc(OCC)nc2)CC[NH2+]C1 ZINC000094988991 184911547 /nfs/dbraw/zinc/91/15/47/184911547.db2.gz IQKAHVHISHZQFA-HNNXBMFYSA-N 1 0 277.368 2.199 10 0 CEAERO COCCN(CC(C)C)c1cc([C@H](C)[NH3+])ccn1 ZINC000094998916 184912270 /nfs/dbraw/zinc/91/22/70/184912270.db2.gz GSNGWXHCKCHMPN-LBPRGKRZSA-N 1 0 251.374 2.210 10 0 CEAERO O=[S@](Cc1cnc(Cl)s1)C[C@@H]1CCC[NH2+]C1 ZINC000095070272 184932252 /nfs/dbraw/zinc/93/22/52/184932252.db2.gz FIIJYGYQXOHSHC-VPTHRUTESA-N 1 0 278.830 2.045 10 0 CEAERO CN(c1ccc(C(N)=[NH2+])cc1)c1ncnc2c1CCCC2 ZINC000094871811 184884407 /nfs/dbraw/zinc/88/44/07/184884407.db2.gz CIHHWORZIDFMRS-UHFFFAOYSA-N 1 0 281.363 2.407 10 0 CEAERO [NH3+][C@H]1Cc2ccccc2[C@@H]1Nc1ncnc2c1CCCC2 ZINC000094873132 184885602 /nfs/dbraw/zinc/88/56/02/184885602.db2.gz PWXXOWIVARBYMK-HOCLYGCPSA-N 1 0 280.375 2.392 10 0 CEAERO CCc1ccsc1CNC(=O)C[C@H]1CCC[NH2+]1 ZINC000094876967 184886331 /nfs/dbraw/zinc/88/63/31/184886331.db2.gz ATYKTOLICIWIKD-LLVKDONJSA-N 1 0 252.383 2.069 10 0 CEAERO CN(Cc1cccc(C[NH3+])c1)C(=O)NC1CCCC1 ZINC000094890046 184888498 /nfs/dbraw/zinc/88/84/98/184888498.db2.gz XYOQLCGGKHPWPY-UHFFFAOYSA-N 1 0 261.369 2.229 10 0 CEAERO CCCN(CC[NH2+]C)c1ncnc2c1CCCCC2 ZINC000094888475 184888608 /nfs/dbraw/zinc/88/86/08/184888608.db2.gz JZOXHVNNALUQEC-UHFFFAOYSA-N 1 0 262.401 2.181 10 0 CEAERO CC(C)CC1(C(=O)N2CCN([C@H](C)C[NH3+])CC2)CCCC1 ZINC000094897427 184889582 /nfs/dbraw/zinc/88/95/82/184889582.db2.gz IXCZGJXHBIVAQP-OAHLLOKOSA-N 1 0 295.471 2.084 10 0 CEAERO CCC[NH2+]CC(=O)NCc1cc(C)c(F)c(C)c1 ZINC000094894547 184889743 /nfs/dbraw/zinc/88/97/43/184889743.db2.gz RSKRRIXMYQVGMV-UHFFFAOYSA-N 1 0 252.333 2.058 10 0 CEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C(=O)C1(CC)CCCC1 ZINC000094906227 184891262 /nfs/dbraw/zinc/89/12/62/184891262.db2.gz PWXZWKCRLXGIBQ-HZSPNIEDSA-N 1 0 264.413 2.413 10 0 CEAERO CC[NH2+][C@H](c1cccc(OCC)c1)[C@@H]1CN(C)CCO1 ZINC000094933281 184896643 /nfs/dbraw/zinc/89/66/43/184896643.db2.gz OGJLIEUQPRRDKD-JKSUJKDBSA-N 1 0 278.396 2.067 10 0 CEAERO Cc1cc(F)ccc1CCNC(=O)[C@H]1[NH2+]CCC[C@@H]1C ZINC000094961778 184906337 /nfs/dbraw/zinc/90/63/37/184906337.db2.gz GHUQYOYDNYHIJG-NHYWBVRUSA-N 1 0 278.371 2.181 10 0 CEAERO Cc1ccccc1C1CC([NH2+][C@@H]2CCC(=O)N[C@H]2C)C1 ZINC000282190035 195531801 /nfs/dbraw/zinc/53/18/01/195531801.db2.gz GEEMVXPZYGVCCW-WLIAPVHPSA-N 1 0 272.392 2.498 10 0 CEAERO CCCOc1cccc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)c1 ZINC000282205198 195537342 /nfs/dbraw/zinc/53/73/42/195537342.db2.gz CXJPLZNZTNHFQH-IUODEOHRSA-N 1 0 276.380 2.232 10 0 CEAERO C[C@@H](Nc1ccc(N2CCCC2=O)cc1)[C@@H]1CC[NH2+]C1 ZINC000400469301 533554456 /nfs/dbraw/zinc/55/44/56/533554456.db2.gz XENLSBUWAGJLII-CHWSQXEVSA-N 1 0 273.380 2.223 10 0 CEAERO CCNC(=O)c1ccc(Cl)cc1NC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000192001274 130347517 /nfs/dbraw/zinc/34/75/17/130347517.db2.gz QHNHFAAOTZPPPT-BDAKNGLRSA-N 1 0 297.786 2.012 10 0 CEAERO Cc1ccccc1[C@H]1C[C@@H]1C(=O)N(C)C1CC[NH2+]CC1 ZINC000237091644 131003517 /nfs/dbraw/zinc/00/35/17/131003517.db2.gz UGZKRRQUKIBSBK-CVEARBPZSA-N 1 0 272.392 2.309 10 0 CEAERO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1Cl)[C@H]1CCCO1 ZINC000249683990 131122624 /nfs/dbraw/zinc/12/26/24/131122624.db2.gz JLGATXQHOGMMTJ-OUCADQQQSA-N 1 0 299.798 2.237 10 0 CEAERO C[C@@H](C[NH3+])C(=O)NCCc1c(Cl)cccc1Cl ZINC000262200667 131200037 /nfs/dbraw/zinc/20/00/37/131200037.db2.gz MZBYZNKEYCEIRG-QMMMGPOBSA-N 1 0 275.179 2.247 10 0 CEAERO Cc1nc(-c2cccnc2)cc(N2CCC(C[NH3+])CC2)n1 ZINC000070456179 134442145 /nfs/dbraw/zinc/44/21/45/134442145.db2.gz BSZNZSXSOOVILW-UHFFFAOYSA-N 1 0 283.379 2.022 10 0 CEAERO C[C@@H]1CCN(c2ncnc3ccsc32)C[C@H]1C[NH3+] ZINC000253201703 134451526 /nfs/dbraw/zinc/45/15/26/134451526.db2.gz YFCGIUUATGAIPG-NXEZZACHSA-N 1 0 262.382 2.112 10 0 CEAERO CC[C@@H](C)[C@H]([NH3+])CN1CCN(c2ccccc2OC)CC1 ZINC000039141216 134855596 /nfs/dbraw/zinc/85/55/96/134855596.db2.gz FYOBKYZZOXRQKY-HUUCEWRRSA-N 1 0 291.439 2.191 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1N1CCN(c2ccccc2Cl)CC1 ZINC000040989103 134875514 /nfs/dbraw/zinc/87/55/14/134875514.db2.gz HLUMTQRMSCFRCO-HIFRSBDPSA-N 1 0 279.815 2.342 10 0 CEAERO C[C@H]1CCc2ccccc2N1C(=O)C[C@H]1CCC[NH2+]1 ZINC000042165411 134885971 /nfs/dbraw/zinc/88/59/71/134885971.db2.gz IEGDRBCEDSFLAD-GXTWGEPZSA-N 1 0 258.365 2.496 10 0 CEAERO [NH3+]CC[C@@H]1CCCCN1c1nncc2ccccc21 ZINC000070533437 134952959 /nfs/dbraw/zinc/95/29/59/134952959.db2.gz ZDYQSCIZABRTKY-ZDUSSCGKSA-N 1 0 256.353 2.338 10 0 CEAERO C[C@@H]1CN(c2nc3ccccc3cc2C(N)=[NH2+])C[C@H](C)O1 ZINC000071389929 134966498 /nfs/dbraw/zinc/96/64/98/134966498.db2.gz YSJTXNJSECCYML-PHIMTYICSA-N 1 0 284.363 2.132 10 0 CEAERO CC(C)([NH3+])CCN1CCN(c2ccc(F)cc2)CC1 ZINC000084187978 135031762 /nfs/dbraw/zinc/03/17/62/135031762.db2.gz ZTZPWEVLPCCEMJ-UHFFFAOYSA-N 1 0 265.376 2.075 10 0 CEAERO Cc1ccncc1N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC000086149238 135039446 /nfs/dbraw/zinc/03/94/46/135039446.db2.gz HZQJIAFMTBSEEJ-MRXNPFEDSA-N 1 0 267.376 2.411 10 0 CEAERO C[C@@H]1CCC[C@]1(C[NH3+])N1CCN(c2ccc(F)cc2)CC1 ZINC000086676386 135048508 /nfs/dbraw/zinc/04/85/08/135048508.db2.gz TZJHAZKQNNNIDU-RHSMWYFYSA-N 1 0 291.414 2.465 10 0 CEAERO CCC(O)(CC)C[NH2+][C@@H]1CC(=O)N(C)c2ccccc21 ZINC000087014008 135049098 /nfs/dbraw/zinc/04/90/98/135049098.db2.gz QDWOAFAZZSRUMW-CYBMUJFWSA-N 1 0 276.380 2.235 10 0 CEAERO CCC1(C)CCN(c2nc(NN)[nH+]cc2Cl)CC1 ZINC000087870404 135052048 /nfs/dbraw/zinc/05/20/48/135052048.db2.gz OCHLVBWTTSERJR-UHFFFAOYSA-N 1 0 269.780 2.432 10 0 CEAERO CCC1CCN(c2cc(NN)[nH+]c(SC)n2)CC1 ZINC000087864222 135052150 /nfs/dbraw/zinc/05/21/50/135052150.db2.gz VOCUSVPKEVMJKF-UHFFFAOYSA-N 1 0 267.402 2.111 10 0 CEAERO C[C@H]1CN(c2c3nsnc3ccc2Cl)CC[NH2+]1 ZINC000088128487 135052276 /nfs/dbraw/zinc/05/22/76/135052276.db2.gz VSANGUDOEZXPSF-ZETCQYMHSA-N 1 0 268.773 2.143 10 0 CEAERO CC[NH2+]CCCS(=O)(=O)N1C[C@@H](C)Cc2ccccc21 ZINC000089036074 135057682 /nfs/dbraw/zinc/05/76/82/135057682.db2.gz IRSPBUHXUQWOOS-ZDUSSCGKSA-N 1 0 296.436 2.015 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1Nc1ccc(N2CCOCC2)cc1 ZINC000089140365 135058426 /nfs/dbraw/zinc/05/84/26/135058426.db2.gz RGCMZWYDBVXJPW-YOEHRIQHSA-N 1 0 289.423 2.453 10 0 CEAERO Cc1nn(C)c(CN2C[C@H]([NH3+])Cc3ccccc32)c1Cl ZINC000089247974 135058753 /nfs/dbraw/zinc/05/87/53/135058753.db2.gz XHNCTXGZEQKJSI-GFCCVEGCSA-N 1 0 290.798 2.272 10 0 CEAERO CC[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)C(C)C ZINC000089733159 135060449 /nfs/dbraw/zinc/06/04/49/135060449.db2.gz GTGZIPYCKNVCLO-KBPBESRZSA-N 1 0 262.401 2.470 10 0 CEAERO CC[NH2+]C[C@H]1CCCN(c2ncncc2Br)C1 ZINC000090782596 135064607 /nfs/dbraw/zinc/06/46/07/135064607.db2.gz MXYSXFQQTZUIPV-SNVBAGLBSA-N 1 0 299.216 2.065 10 0 CEAERO CCOc1cc(N2CCCC[C@H]2C[NH2+]CC(C)C)ncn1 ZINC000090784622 135064675 /nfs/dbraw/zinc/06/46/75/135064675.db2.gz JNZFKURSHUUTGK-AWEZNQCLSA-N 1 0 292.427 2.480 10 0 CEAERO CC(C)Oc1cc(N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)ncn1 ZINC000090786103 135064813 /nfs/dbraw/zinc/06/48/13/135064813.db2.gz JWKIHQRIVLFYCJ-KBPBESRZSA-N 1 0 290.411 2.375 10 0 CEAERO CCOc1ncnc(N2CCCC[C@@H]2CC[NH2+]C)c1C ZINC000090789673 135065623 /nfs/dbraw/zinc/06/56/23/135065623.db2.gz VYMDIHACSKJFFJ-CYBMUJFWSA-N 1 0 278.400 2.152 10 0 CEAERO CC(C)[NH2+]C[C@](C)(O)CN1CCCc2ccccc21 ZINC000090817663 135065739 /nfs/dbraw/zinc/06/57/39/135065739.db2.gz RTWJBOBXBLATBO-INIZCTEOSA-N 1 0 262.397 2.188 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccc(N2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090908262 135066758 /nfs/dbraw/zinc/06/67/58/135066758.db2.gz UUARQRWXLNHPDR-BMFZPTHFSA-N 1 0 260.381 2.334 10 0 CEAERO C[NH2+]C[C@@H](C)[C@@H](C)N1CCN(c2ccc(F)cc2)CC1 ZINC000093068388 135079203 /nfs/dbraw/zinc/07/92/03/135079203.db2.gz PXRSSNRSZKEQBV-ZIAGYGMSSA-N 1 0 279.403 2.192 10 0 CEAERO [NH3+]Cc1c(F)cccc1N1CCO[C@@H]2CCC[C@@H]21 ZINC000093395390 135080579 /nfs/dbraw/zinc/08/05/79/135080579.db2.gz IKVRYUPOPYSJCY-UONOGXRCSA-N 1 0 250.317 2.042 10 0 CEAERO CCC[C@H]([NH3+])C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000216822957 394452786 /nfs/dbraw/zinc/45/27/86/394452786.db2.gz AAOKEYFKLWVFCS-MFORYBBRSA-N 1 0 250.386 2.199 10 0 CEAERO CC(C)c1nccnc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000413059719 394476956 /nfs/dbraw/zinc/47/69/56/394476956.db2.gz GQQYBWLMJTWQKD-CHWSQXEVSA-N 1 0 260.385 2.061 10 0 CEAERO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000032629470 394489935 /nfs/dbraw/zinc/48/99/35/394489935.db2.gz GYKPRYVYGWAFFY-STQMWFEESA-N 1 0 253.367 2.039 10 0 CEAERO C[C@H]1C[C@@H]1[NH2+]Cc1cc(Br)ncc1F ZINC000306478819 394515861 /nfs/dbraw/zinc/51/58/61/394515861.db2.gz ZYEHWVFKYBQZEW-RCOVLWMOSA-N 1 0 259.122 2.481 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000245470962 394500057 /nfs/dbraw/zinc/50/00/57/394500057.db2.gz XBLBURHQBIPIQJ-SEBNEYGDSA-N 1 0 262.397 2.118 10 0 CEAERO [NH3+][C@H]1CSC[C@H]1Cc1ccc(Br)o1 ZINC000306774565 394517805 /nfs/dbraw/zinc/51/78/05/394517805.db2.gz VWAJXDBXPPRQLO-SVRRBLITSA-N 1 0 262.172 2.275 10 0 CEAERO C[C@@H](C[NH2+][C@@H]1c2ccccc2C[C@H]1C)N1CCOCC1 ZINC000247183691 394527618 /nfs/dbraw/zinc/52/76/18/394527618.db2.gz VJWMWXDZYLXRTL-KEYYUXOJSA-N 1 0 274.408 2.230 10 0 CEAERO CC(C)OCCCN1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000310558260 394535342 /nfs/dbraw/zinc/53/53/42/394535342.db2.gz AJAVIALXPAULHR-HUUCEWRRSA-N 1 0 254.418 2.360 10 0 CEAERO FC(F)(F)c1ccc(N2CC[C@]3(CC[NH2+]C3)C2)nc1 ZINC000261605353 394604170 /nfs/dbraw/zinc/60/41/70/394604170.db2.gz RJGOICVLDGYSHY-LBPRGKRZSA-N 1 0 271.286 2.290 10 0 CEAERO CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H]2C[C@@H]2C)CC1 ZINC000080217498 394634382 /nfs/dbraw/zinc/63/43/82/394634382.db2.gz NIHZBFZYLSTHCL-DZGCQCFKSA-N 1 0 281.444 2.452 10 0 CEAERO O=C(N[C@H]1CCCC[NH2+]C1)N1CCc2c(F)cccc2C1 ZINC000335183339 394747183 /nfs/dbraw/zinc/74/71/83/394747183.db2.gz BJCZMZILNSLCMX-ZDUSSCGKSA-N 1 0 291.370 2.036 10 0 CEAERO C[C@H]1CN(C(=O)c2csc(-c3cccs3)n2)C[C@@H]1[NH3+] ZINC000335518436 394771851 /nfs/dbraw/zinc/77/18/51/394771851.db2.gz MRVHKSKYNGRMPT-IUCAKERBSA-N 1 0 293.417 2.291 10 0 CEAERO [NH3+]C[C@@H]1CCCN1Cc1cc(F)cc2cccnc21 ZINC000123383978 394827015 /nfs/dbraw/zinc/82/70/15/394827015.db2.gz BJWFUXLCBLJESL-AWEZNQCLSA-N 1 0 259.328 2.297 10 0 CEAERO CC(C)OCCC[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152210567 394990834 /nfs/dbraw/zinc/99/08/34/394990834.db2.gz 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COCCC[C@H](C)[NH2+][C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000180520167 395203502 /nfs/dbraw/zinc/20/35/02/395203502.db2.gz IJBFHUAUTVSVNU-QWHCGFSZSA-N 1 0 280.416 2.121 10 0 CEAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCc2ncnn2C1 ZINC000180585721 395205180 /nfs/dbraw/zinc/20/51/80/395205180.db2.gz LSJHIXPRVDTFIE-CJNGLKHVSA-N 1 0 298.390 2.269 10 0 CEAERO CCCCOC[C@H](O)C[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403490814 395277433 /nfs/dbraw/zinc/27/74/33/395277433.db2.gz VJKFJAVMCAJLRJ-LXTVHRRPSA-N 1 0 255.402 2.190 10 0 CEAERO C[C@@H]1C[C@@H]1c1ccc(CNC[C@H](O)C[NH+]2CCCCC2)o1 ZINC000195422326 395466239 /nfs/dbraw/zinc/46/62/39/395466239.db2.gz JHSKMEOJHSOGBN-YCPHGPKFSA-N 1 0 292.423 2.339 10 0 CEAERO C[C@H](CC[NH2+]C[C@@H](C)N1CCOCC1)c1ccccc1 ZINC000194192880 395427749 /nfs/dbraw/zinc/42/77/49/395427749.db2.gz VKYJBEVFQRJDED-HZPDHXFCSA-N 1 0 276.424 2.491 10 0 CEAERO C[C@]([NH3+])(C[C@H](O)C(F)(F)F)c1ccccc1F ZINC000205241027 395472897 /nfs/dbraw/zinc/47/28/97/395472897.db2.gz GCYYXYSQJMNMPB-UWVGGRQHSA-N 1 0 251.223 2.313 10 0 CEAERO N[C@]1(c2cscn2)CC[N@H+](Cc2ccccc2)C1 ZINC000575470553 395664504 /nfs/dbraw/zinc/66/45/04/395664504.db2.gz DYMRHWPBVLRJLU-CQSZACIVSA-N 1 0 259.378 2.203 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)Cc1coc2cc(C)ccc12 ZINC000648131452 395843763 /nfs/dbraw/zinc/84/37/63/395843763.db2.gz QCCMDEDIADXXSB-NSHDSACASA-N 1 0 260.337 2.008 10 0 CEAERO O[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)COc1ccccc1F ZINC000646094385 396289806 /nfs/dbraw/zinc/28/98/06/396289806.db2.gz YBAVDMMIFCAFNN-KYEXWDHISA-N 1 0 279.355 2.344 10 0 CEAERO CCOC(=O)CC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000044289132 285711719 /nfs/dbraw/zinc/71/17/19/285711719.db2.gz YNROTLMZKNXZED-UHFFFAOYSA-N 1 0 251.370 2.354 10 0 CEAERO C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NC[C@@H]2CC[NH2+]C2)o1 ZINC000646967417 396396686 /nfs/dbraw/zinc/39/66/86/396396686.db2.gz PDRNFEFTWBDCKU-BZPMIXESSA-N 1 0 276.380 2.061 10 0 CEAERO Cc1ccc(CCCC(=O)N2CCC[C@H]2C[NH3+])s1 ZINC000237692071 292093833 /nfs/dbraw/zinc/09/38/33/292093833.db2.gz VXXWRFATGDHZKI-LBPRGKRZSA-N 1 0 266.410 2.329 10 0 CEAERO [NH3+]C1CCC(C(=O)N2CCCc3ccccc32)CC1 ZINC000037623243 400117035 /nfs/dbraw/zinc/11/70/35/400117035.db2.gz JMCJVDYVVWBXPB-UHFFFAOYSA-N 1 0 258.365 2.483 10 0 CEAERO CCOc1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)ccc1O ZINC000211285907 400303554 /nfs/dbraw/zinc/30/35/54/400303554.db2.gz VJPLXBZCVAQZGY-ZFWWWQNUSA-N 1 0 290.407 2.459 10 0 CEAERO CC[C@@H]1CN(c2ccnc3cccnc32)CC[C@@H]1[NH3+] ZINC000394236113 400548131 /nfs/dbraw/zinc/54/81/31/400548131.db2.gz PCFWZVRAPWOMAO-NEPJUHHUSA-N 1 0 256.353 2.193 10 0 CEAERO CC[C@H]1CN(c2ccnc3cccnc32)CC[C@H]1[NH3+] ZINC000394236114 400548263 /nfs/dbraw/zinc/54/82/63/400548263.db2.gz PCFWZVRAPWOMAO-NWDGAFQWSA-N 1 0 256.353 2.193 10 0 CEAERO Cc1cncc(C[N@H+]2CCC[C@H]2c2cnn(C)c2)c1 ZINC000189868883 153108867 /nfs/dbraw/zinc/10/88/67/153108867.db2.gz BHVNMWWEXDMTRN-HNNXBMFYSA-N 1 0 256.353 2.461 10 0 CEAERO COCCN(C)c1ccc(C[NH2+][C@@H](C)C(C)C)cn1 ZINC000190694834 153142702 /nfs/dbraw/zinc/14/27/02/153142702.db2.gz ZKSJNIFBNULTLM-ZDUSSCGKSA-N 1 0 265.401 2.298 10 0 CEAERO CC(=O)CC(C)(C)CC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000191903258 153198910 /nfs/dbraw/zinc/19/89/10/153198910.db2.gz XFONAXFESBYFQS-OCCSQVGLSA-N 1 0 282.428 2.227 10 0 CEAERO CC(C)N(C(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCCO1)C(C)C ZINC000193127755 153226974 /nfs/dbraw/zinc/22/69/74/153226974.db2.gz FAEQQAGSRXTAJB-RDBSUJKOSA-N 1 0 270.417 2.177 10 0 CEAERO CCOc1ccccc1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195314965 153280913 /nfs/dbraw/zinc/28/09/13/153280913.db2.gz UPZBIHAIYMPXRM-ZDUSSCGKSA-N 1 0 274.364 2.006 10 0 CEAERO O[C@@H](C[NH+]1CCC(c2cc[nH]n2)CC1)c1ccccc1 ZINC000195505444 153292559 /nfs/dbraw/zinc/29/25/59/153292559.db2.gz OWADXCRJLITEEC-INIZCTEOSA-N 1 0 271.364 2.323 10 0 CEAERO OCC[C@@H]1CC[N@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000227571825 153348064 /nfs/dbraw/zinc/34/80/64/153348064.db2.gz KAQQFYICUHRVLD-HNNXBMFYSA-N 1 0 271.364 2.077 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCSC ZINC000246833958 153577306 /nfs/dbraw/zinc/57/73/06/153577306.db2.gz ATPBDALGXGOHOB-STQMWFEESA-N 1 0 270.442 2.215 10 0 CEAERO CCc1ccccc1CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000249046374 153677526 /nfs/dbraw/zinc/67/75/26/153677526.db2.gz FCTROYYQKAQYOO-PBHICJAKSA-N 1 0 286.419 2.487 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NCCSC(F)(F)F ZINC000261557279 153757837 /nfs/dbraw/zinc/75/78/37/153757837.db2.gz CMMKUPSGFGIEAJ-RKDXNWHRSA-N 1 0 284.347 2.263 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)C2CCOCC2)C12CCOCC2 ZINC000248974302 286401089 /nfs/dbraw/zinc/40/10/89/286401089.db2.gz HFQZMTQYTILPQV-VNQPRFMTSA-N 1 0 297.439 2.365 10 0 CEAERO C[C@@H]([NH3+])[C@H]1CCCN(c2nccc(C(C)(C)C)n2)C1 ZINC000261637109 153795032 /nfs/dbraw/zinc/79/50/32/153795032.db2.gz WQIOAVLFYIPRQU-NEPJUHHUSA-N 1 0 262.401 2.338 10 0 CEAERO Cc1cc(C)c(NC(=O)CN2C[C@H](C)[C@H]([NH3+])C2)c(Cl)c1 ZINC000261642385 153796608 /nfs/dbraw/zinc/79/66/08/153796608.db2.gz LCLMFABAVVKNSS-WCQYABFASA-N 1 0 295.814 2.174 10 0 CEAERO COC[C@]1(C(=O)N[C@H](C)c2ccc(C)cc2C)CC[NH2+]C1 ZINC000261726304 153821074 /nfs/dbraw/zinc/82/10/74/153821074.db2.gz QQCMRRLZNNKVSB-PBHICJAKSA-N 1 0 290.407 2.107 10 0 CEAERO O=C(CC[C@H]1CCC[NH2+]1)N(Cc1ccccn1)C1CC1 ZINC000261857924 153858984 /nfs/dbraw/zinc/85/89/84/153858984.db2.gz XLSSQYUPXQPIJW-CYBMUJFWSA-N 1 0 273.380 2.105 10 0 CEAERO C[C@@H]([NH3+])CC(=O)N1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000261863304 153863045 /nfs/dbraw/zinc/86/30/45/153863045.db2.gz PCVLTRUFESLGNM-OCCSQVGLSA-N 1 0 260.381 2.376 10 0 CEAERO CO[C@@H](C)c1nc(CN2CC[C@@H]([NH3+])C(C)(C)C2)cs1 ZINC000261916814 153874312 /nfs/dbraw/zinc/87/43/12/153874312.db2.gz YENYLTYVUYQICR-CMPLNLGQSA-N 1 0 283.441 2.410 10 0 CEAERO Cc1ccc([C@H](O)CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])cc1 ZINC000262928481 153998272 /nfs/dbraw/zinc/99/82/72/153998272.db2.gz HOONSOYROJBHGE-ZMSDIMECSA-N 1 0 290.407 2.052 10 0 CEAERO CCCC[C@H](NC(=O)C1C[NH2+]C1)c1ccc(OC)cc1 ZINC000263283395 154049234 /nfs/dbraw/zinc/04/92/34/154049234.db2.gz KFBPTWGBYPQOKU-HNNXBMFYSA-N 1 0 276.380 2.262 10 0 CEAERO CCCC[C@@H](NC(=O)C1C[NH2+]C1)c1ccc(OC)cc1 ZINC000263283398 154049858 /nfs/dbraw/zinc/04/98/58/154049858.db2.gz KFBPTWGBYPQOKU-OAHLLOKOSA-N 1 0 276.380 2.262 10 0 CEAERO Cc1cccc([C@@H](NC(=O)C2C[NH2+]C2)C(C)(C)C)c1 ZINC000263312958 154054236 /nfs/dbraw/zinc/05/42/36/154054236.db2.gz PQKDXLJJYNGMNO-CQSZACIVSA-N 1 0 260.381 2.418 10 0 CEAERO O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)C1C[NH2+]C1 ZINC000263341745 154062607 /nfs/dbraw/zinc/06/26/07/154062607.db2.gz XSQHCAWKCLQOQT-ZDUSSCGKSA-N 1 0 296.317 2.001 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+][C@@H]2CCCC(C)(C)C2)C1 ZINC000263522127 154109148 /nfs/dbraw/zinc/10/91/48/154109148.db2.gz RMBXVUASDSIOKT-IYXRBSQSSA-N 1 0 282.428 2.482 10 0 CEAERO C[N@H+](Cc1cnn(-c2ccccc2)c1)[C@H]1CCC[C@@H]1O ZINC000352661003 154326430 /nfs/dbraw/zinc/32/64/30/154326430.db2.gz QBHYGMOVFNRECL-HOTGVXAUSA-N 1 0 271.364 2.218 10 0 CEAERO C[C@@H]([NH3+])CC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000261861411 286909046 /nfs/dbraw/zinc/90/90/46/286909046.db2.gz OSYMRQAHGKFIJH-ZYHUDNBSSA-N 1 0 262.353 2.142 10 0 CEAERO C[C@H](O)[C@H]1CC[N@H+](Cc2cc(Cl)cc3c2OCOC3)C1 ZINC000168427407 162365581 /nfs/dbraw/zinc/36/55/81/162365581.db2.gz NPTKZKROWGSITQ-QWRGUYRKSA-N 1 0 297.782 2.409 10 0 CEAERO CN(Cc1ccc(Br)cn1)C[C@@H]1CC[N@H+](C)C1 ZINC000168413991 162366004 /nfs/dbraw/zinc/36/60/04/162366004.db2.gz QVPSKNAVCZMTDW-LLVKDONJSA-N 1 0 298.228 2.228 10 0 CEAERO CCCO[C@H]1CCCN(Cc2nnc(C3CC3)n2C)CC1 ZINC000170989683 162378119 /nfs/dbraw/zinc/37/81/19/162378119.db2.gz QHPLBALCPVWYIV-AWEZNQCLSA-N 1 0 292.427 2.474 10 0 CEAERO CC(C)NC(=O)CC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000172024203 162396578 /nfs/dbraw/zinc/39/65/78/162396578.db2.gz CAHXGSKEGMSCNT-LBPRGKRZSA-N 1 0 250.342 2.331 10 0 CEAERO COc1ccc(CN2C[C@H](C)[C@H]([NH3+])C2)cc1Br ZINC000261540086 162544136 /nfs/dbraw/zinc/54/41/36/162544136.db2.gz DKJPZXMCLLKVDK-JOYOIKCWSA-N 1 0 299.212 2.237 10 0 CEAERO C[C@H](NC(=O)c1ccn[nH]1)c1cccc(-n2ccnc2)c1 ZINC000173929538 165089972 /nfs/dbraw/zinc/08/99/72/165089972.db2.gz XZUYTLSPPMHWOJ-NSHDSACASA-N 1 0 281.319 2.086 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ncc(Cl)n1C ZINC000175042565 165122513 /nfs/dbraw/zinc/12/25/13/165122513.db2.gz KLJACTBVMGEXHG-VXGBXAGGSA-N 1 0 282.819 2.132 10 0 CEAERO COc1csc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000176835511 165177469 /nfs/dbraw/zinc/17/74/69/165177469.db2.gz DKHZXSZQLXIFHV-WDEREUQCSA-N 1 0 280.393 2.065 10 0 CEAERO Cc1cc(C)c(OCC(=O)N[C@@H]2CCC[C@@H]2C[NH3+])c(C)c1 ZINC000178152157 165222828 /nfs/dbraw/zinc/22/28/28/165222828.db2.gz NYJQXOPYHSPSNP-HUUCEWRRSA-N 1 0 290.407 2.234 10 0 CEAERO CC[C@@H](C)Oc1ccc(C(=O)NCC[C@@H](C)[NH3+])cc1 ZINC000178679738 165253160 /nfs/dbraw/zinc/25/31/60/165253160.db2.gz NQHRLVFRRLYZDM-VXGBXAGGSA-N 1 0 264.369 2.331 10 0 CEAERO C[C@@H]([NH3+])CCNC(=O)CCCOc1ccccc1Cl ZINC000178701254 165256886 /nfs/dbraw/zinc/25/68/86/165256886.db2.gz QMVPULDITLDREY-LLVKDONJSA-N 1 0 284.787 2.353 10 0 CEAERO CCC[C@H](C)C[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000180111544 165298076 /nfs/dbraw/zinc/29/80/76/165298076.db2.gz YSAHIZMYAZDLHO-HNNXBMFYSA-N 1 0 278.444 2.364 10 0 CEAERO Cn1nccc1C1CC[NH+](CCO[C@@H]2CCCCO2)CC1 ZINC000181670314 165352668 /nfs/dbraw/zinc/35/26/68/165352668.db2.gz VDRDQWBVETYOBG-MRXNPFEDSA-N 1 0 293.411 2.143 10 0 CEAERO CCC[C@H](C(=O)N[C@@H]1CC(C)(C)OC1(C)C)[NH+](C)C ZINC000183102713 165382545 /nfs/dbraw/zinc/38/25/45/165382545.db2.gz HAUZIOSUCRHGRI-VXGBXAGGSA-N 1 0 270.417 2.179 10 0 CEAERO CNC(=O)[C@H]([NH2+]CCCc1cccc(F)c1)C(C)C ZINC000183107102 165383925 /nfs/dbraw/zinc/38/39/25/165383925.db2.gz FZMVWXFPBVHJSW-CQSZACIVSA-N 1 0 266.360 2.119 10 0 CEAERO CCC[C@H](C(=O)Nc1ccc(O)cc1F)[NH+](C)C ZINC000183258744 165387542 /nfs/dbraw/zinc/38/75/42/165387542.db2.gz BDKFLEUYRFOTNB-GFCCVEGCSA-N 1 0 254.305 2.200 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H](C)C(C)C ZINC000174983369 287222036 /nfs/dbraw/zinc/22/20/36/287222036.db2.gz QQECVDWYJKCTOZ-BFHYXJOUSA-N 1 0 252.402 2.364 10 0 CEAERO Cc1cccc(C[C@@H]2CCc3[nH+]c(N)nc(N)c3C2)c1 ZINC000005892624 170151134 /nfs/dbraw/zinc/15/11/34/170151134.db2.gz ANEBECZGILEHAA-LBPRGKRZSA-N 1 0 268.364 2.297 10 0 CEAERO C[NH2+][C@H](C)Cc1ccc(I)cc1 ZINC000006036816 170170467 /nfs/dbraw/zinc/17/04/67/170170467.db2.gz MXJYUKFIZBQAJV-MRVPVSSYSA-N 1 0 275.133 2.442 10 0 CEAERO COc1ccc(N)cc1NC(=O)CCC[NH+]1CCCCC1 ZINC000019261207 170762244 /nfs/dbraw/zinc/76/22/44/170762244.db2.gz KRLIECUFVAELKH-UHFFFAOYSA-N 1 0 291.395 2.482 10 0 CEAERO C[C@@H]([NH2+][C@H]1CCS(=O)(=O)C1)C12CC3CC(CC(C3)C1)C2 ZINC000019279316 170770985 /nfs/dbraw/zinc/77/09/85/170770985.db2.gz PERSIJRQUGMAHL-OMBAJQCTSA-N 1 0 297.464 2.368 10 0 CEAERO Cc1cc(C)c(OCC[C@H](C[NH3+])N(C)C)c(C)c1 ZINC000019663869 170834033 /nfs/dbraw/zinc/83/40/33/170834033.db2.gz KHHZEVKTHGDXRO-CQSZACIVSA-N 1 0 250.386 2.270 10 0 CEAERO [NH3+]C[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000019669655 170834987 /nfs/dbraw/zinc/83/49/87/170834987.db2.gz XJOXSRASBVXOKR-SSDOTTSWSA-N 1 0 259.136 2.305 10 0 CEAERO C[C@H]([NH3+])c1cccc(OCC(=O)N2CCCCC2)c1 ZINC000019816590 170881385 /nfs/dbraw/zinc/88/13/85/170881385.db2.gz DLLKHBWUWMCPBW-LBPRGKRZSA-N 1 0 262.353 2.098 10 0 CEAERO C[C@H]1[C@H]([NH2+]Cc2ccc(OCC(N)=O)cc2)CCC[C@@H]1C ZINC000019963202 170944528 /nfs/dbraw/zinc/94/45/28/170944528.db2.gz VUPXSTCVWPHODB-WOSRLPQWSA-N 1 0 290.407 2.465 10 0 CEAERO COc1ccc(CNc2nc(CC[NH3+])cs2)cc1 ZINC000020185280 171047971 /nfs/dbraw/zinc/04/79/71/171047971.db2.gz GZTSZFURZKNDMW-UHFFFAOYSA-N 1 0 263.366 2.265 10 0 CEAERO C=COCCC[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000020197030 171061074 /nfs/dbraw/zinc/06/10/74/171061074.db2.gz HQGHEMJKJGPXEL-UHFFFAOYSA-N 1 0 251.326 2.344 10 0 CEAERO CC(C)(C)c1ccc(S(=O)(=O)CCCC[NH3+])cc1 ZINC000020223559 171085855 /nfs/dbraw/zinc/08/58/55/171085855.db2.gz CGFLHAUJLQHANG-UHFFFAOYSA-N 1 0 269.410 2.497 10 0 CEAERO Cc1cccc(S(=O)(=O)Nc2ccc(C[NH3+])cc2)c1 ZINC000020224379 171086558 /nfs/dbraw/zinc/08/65/58/171086558.db2.gz IWWBZNSYJCHBJP-UHFFFAOYSA-N 1 0 276.361 2.255 10 0 CEAERO COc1cccc(C(=O)Nc2ccc(CC[NH3+])cc2)c1 ZINC000020224407 171087543 /nfs/dbraw/zinc/08/75/43/171087543.db2.gz CHHPHIZCIUHSTE-UHFFFAOYSA-N 1 0 270.332 2.449 10 0 CEAERO COc1ccccc1C(=O)Nc1ccc(CC[NH3+])cc1 ZINC000020224406 171087669 /nfs/dbraw/zinc/08/76/69/171087669.db2.gz JPSCEBLLYLULQZ-UHFFFAOYSA-N 1 0 270.332 2.449 10 0 CEAERO CN(Cc1cccc(F)c1)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000020266657 171123257 /nfs/dbraw/zinc/12/32/57/171123257.db2.gz ZFTGAVNYTCSGGW-OAHLLOKOSA-N 1 0 272.323 2.484 10 0 CEAERO Cc1c([C@@H](C)[NH2+]Cc2ccc3c(c2)OCO3)cnn1C ZINC000020349451 171154976 /nfs/dbraw/zinc/15/49/76/171154976.db2.gz VRJKKTWFXVCTHQ-SNVBAGLBSA-N 1 0 273.336 2.308 10 0 CEAERO CCC(CC)NC(=O)[C@@H](C)NCCC[NH+](CC)CC ZINC000020365728 171164388 /nfs/dbraw/zinc/16/43/88/171164388.db2.gz JPJCIIVKOQQQPX-CYBMUJFWSA-N 1 0 271.449 2.001 10 0 CEAERO CCC(C)(C)NC(=O)[C@H](C)NCC[NH+](C(C)C)C(C)C ZINC000020365924 171164974 /nfs/dbraw/zinc/16/49/74/171164974.db2.gz AJFPKIKFWQTFLD-AWEZNQCLSA-N 1 0 285.476 2.388 10 0 CEAERO CCN(CC)C(=O)[C@@H](C)Oc1ccc([C@H](C)[NH3+])cc1 ZINC000020419206 171183668 /nfs/dbraw/zinc/18/36/68/171183668.db2.gz ADPWRILCPUYBEZ-NWDGAFQWSA-N 1 0 264.369 2.342 10 0 CEAERO c1cn(CCC[NH2+][C@@H]2CCOc3ccccc32)cn1 ZINC000020506130 171228255 /nfs/dbraw/zinc/22/82/55/171228255.db2.gz JTFFZBIBNFMHLS-CQSZACIVSA-N 1 0 257.337 2.387 10 0 CEAERO COc1cc(OC)c([C@@H]2C[C@H]2[C@@H](C)[NH3+])cc1OC ZINC000020594472 171263634 /nfs/dbraw/zinc/26/36/34/171263634.db2.gz OFDOGOXWHHIWGG-KXUCPTDWSA-N 1 0 251.326 2.163 10 0 CEAERO [NH3+]Cc1ccccc1NS(=O)(=O)c1cccc(F)c1 ZINC000022143961 171355740 /nfs/dbraw/zinc/35/57/40/171355740.db2.gz UDEFRKMSGLITTA-UHFFFAOYSA-N 1 0 280.324 2.085 10 0 CEAERO [NH3+]Cc1ccc(NS(=O)(=O)Cc2ccccc2)cc1 ZINC000022149320 171357851 /nfs/dbraw/zinc/35/78/51/171357851.db2.gz ZMCCFCCLSOKWKO-UHFFFAOYSA-N 1 0 276.361 2.087 10 0 CEAERO C[C@@H](C(=O)Nc1cccc(N)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000022151515 171358611 /nfs/dbraw/zinc/35/86/11/171358611.db2.gz WUSAXKUDKVMALV-NEPJUHHUSA-N 1 0 261.369 2.328 10 0 CEAERO C[C@@H](C(=O)Nc1ccccc1N)[NH+]1CCCCCC1 ZINC000022152956 171360316 /nfs/dbraw/zinc/36/03/16/171360316.db2.gz OSASQGAYPWYEFL-LBPRGKRZSA-N 1 0 261.369 2.472 10 0 CEAERO CC[C@H]([NH3+])c1ccc(OCC(=O)N2CCCC2)cc1 ZINC000022164651 171364990 /nfs/dbraw/zinc/36/49/90/171364990.db2.gz NTQVKEWKNQBFAX-AWEZNQCLSA-N 1 0 262.353 2.098 10 0 CEAERO C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1cccc(C[NH3+])c1 ZINC000022167399 171366156 /nfs/dbraw/zinc/36/61/56/171366156.db2.gz RAVURAOAWSXAPB-VXGBXAGGSA-N 1 0 282.409 2.097 10 0 CEAERO [NH3+]Cc1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000022210034 171373018 /nfs/dbraw/zinc/37/30/18/171373018.db2.gz RANASKYPCWPVEE-UHFFFAOYSA-N 1 0 258.296 2.466 10 0 CEAERO COc1cc([C@H](C)[NH3+])ccc1OCC(=O)NC(C)(C)C ZINC000022215341 171375204 /nfs/dbraw/zinc/37/52/04/171375204.db2.gz ZBZLVKUFJDJXMJ-JTQLQIEISA-N 1 0 280.368 2.008 10 0 CEAERO CCOc1ccccc1O[C@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000023070326 171409995 /nfs/dbraw/zinc/40/99/95/171409995.db2.gz VXXDQFAHIAUQRI-WFASDCNBSA-N 1 0 293.363 2.087 10 0 CEAERO COc1cc(CC[NH2+]C2CC2)cc(OC)c1OC ZINC000034224302 171835165 /nfs/dbraw/zinc/83/51/65/171835165.db2.gz CDEMNRGJMIWVIH-UHFFFAOYSA-N 1 0 251.326 2.007 10 0 CEAERO CCN(CC)[C@H](C[NH3+])c1cc2c(c(Cl)c1)OCO2 ZINC000034962506 171906641 /nfs/dbraw/zinc/90/66/41/171906641.db2.gz PIKXRUGVPCGALQ-LLVKDONJSA-N 1 0 270.760 2.410 10 0 CEAERO CC(C)CCOc1ccc(C[NH2+][C@@H](C)C(N)=O)cc1 ZINC000035148753 172010959 /nfs/dbraw/zinc/01/09/59/172010959.db2.gz QQKKETAAUVRRBD-LBPRGKRZSA-N 1 0 264.369 2.075 10 0 CEAERO CCCCNC(=O)[C@@H](C)[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000035206940 172051595 /nfs/dbraw/zinc/05/15/95/172051595.db2.gz LSPLDYHNERZITB-GFCCVEGCSA-N 1 0 294.395 2.098 10 0 CEAERO CC(C)[C@]1(C)CC(=O)N(c2ccc(C[NH3+])cc2)C1=O ZINC000035281133 172099175 /nfs/dbraw/zinc/09/91/75/172099175.db2.gz LIXVGFIVDLEZRZ-HNNXBMFYSA-N 1 0 260.337 2.071 10 0 CEAERO CCC[N@H+](Cc1ccccc1N)[C@@H](C)C(=O)NCC ZINC000035365240 172154900 /nfs/dbraw/zinc/15/49/00/172154900.db2.gz MHDHRKDERFMGCL-LBPRGKRZSA-N 1 0 263.385 2.005 10 0 CEAERO C[NH2+][C@H](CC(F)(F)F)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000035488653 172224070 /nfs/dbraw/zinc/22/40/70/172224070.db2.gz OGEQLMJAKQIING-SECBINFHSA-N 1 0 259.231 2.069 10 0 CEAERO CC[NH2+][C@H](c1cnn(C)c1)c1ccc(F)c(F)c1 ZINC000035555777 172261774 /nfs/dbraw/zinc/26/17/74/172261774.db2.gz CWCXZIXUQVUTIY-ZDUSSCGKSA-N 1 0 251.280 2.397 10 0 CEAERO COc1ccccc1[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC000035571731 172267450 /nfs/dbraw/zinc/26/74/50/172267450.db2.gz KBMATORPRKJBNN-OLZOCXBDSA-N 1 0 292.379 2.357 10 0 CEAERO O=C(CN1CC[NH2+]CC1)c1cc(Cl)ccc1Cl ZINC000035577191 172273795 /nfs/dbraw/zinc/27/37/95/172273795.db2.gz GHEXKYSHYOFFIC-UHFFFAOYSA-N 1 0 273.163 2.081 10 0 CEAERO Cc1ccc(O[C@@H](C)C(=O)NC2CC2)c([C@H](C)[NH3+])c1 ZINC000035629303 172309220 /nfs/dbraw/zinc/30/92/20/172309220.db2.gz ZPOAYXBGYZKLGO-QWRGUYRKSA-N 1 0 262.353 2.061 10 0 CEAERO CC[NH2+][C@H](C)c1ccccc1NC(=O)COCC ZINC000035643575 172321587 /nfs/dbraw/zinc/32/15/87/172321587.db2.gz CIINQSVYZYXHJD-LLVKDONJSA-N 1 0 250.342 2.332 10 0 CEAERO CCC[NH2+]Cc1cc(Cl)cc(Cl)c1OCC(N)=O ZINC000035662101 172340669 /nfs/dbraw/zinc/34/06/69/172340669.db2.gz KTQBWEYYYOSPIX-UHFFFAOYSA-N 1 0 291.178 2.357 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)c1cccnc1 ZINC000035692181 172360705 /nfs/dbraw/zinc/36/07/05/172360705.db2.gz QJVFOXVGIHUORV-DHMWGJHJSA-N 1 0 273.380 2.180 10 0 CEAERO C[C@H]([NH2+]Cc1ccccc1C(N)=O)c1ccncc1 ZINC000035693427 172362288 /nfs/dbraw/zinc/36/22/88/172362288.db2.gz AMEJAYLAWBRGJZ-NSHDSACASA-N 1 0 255.321 2.031 10 0 CEAERO COCCSCCCOc1ccc(C[NH3+])cc1 ZINC000035721904 172377839 /nfs/dbraw/zinc/37/78/39/172377839.db2.gz HMKMNSGLXCZKKY-UHFFFAOYSA-N 1 0 255.383 2.294 10 0 CEAERO CCC[C@@H]1CC[C@H](C[NH3+])[C@H](Sc2nncn2C)C1 ZINC000035724113 172379204 /nfs/dbraw/zinc/37/92/04/172379204.db2.gz NKBGIKBCYOPMST-IJLUTSLNSA-N 1 0 268.430 2.451 10 0 CEAERO C[C@@H](C1CC1)N(C)C(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000036785755 172702928 /nfs/dbraw/zinc/70/29/28/172702928.db2.gz XJJXKOABBPNXPV-DOERSZECSA-N 1 0 250.386 2.164 10 0 CEAERO NC(=O)CC[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000036846863 172747770 /nfs/dbraw/zinc/74/77/70/172747770.db2.gz KFZVZQAAPJQOQZ-UHFFFAOYSA-N 1 0 252.745 2.051 10 0 CEAERO CC[C@@H]1C[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)CCO1 ZINC000180532125 287271703 /nfs/dbraw/zinc/27/17/03/287271703.db2.gz NAHMWTKQSBWFPY-ARFHVFGLSA-N 1 0 296.455 2.428 10 0 CEAERO CCC1CCC([NH2+][C@@]2(C)CCS(=O)(=O)C2)CC1 ZINC000036944323 172819516 /nfs/dbraw/zinc/81/95/16/172819516.db2.gz SINKRDHZAMPEFP-BPCQOVAHSA-N 1 0 259.415 2.122 10 0 CEAERO CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)CC(C)(C)OC ZINC000037126276 172972489 /nfs/dbraw/zinc/97/24/89/172972489.db2.gz XDIAFGKZXQIJKJ-NWDGAFQWSA-N 1 0 258.406 2.037 10 0 CEAERO COCCC[NH2+][C@H](c1cccs1)c1nccn1C ZINC000037232379 173051033 /nfs/dbraw/zinc/05/10/33/173051033.db2.gz UGDFGXFBHHYEPM-GFCCVEGCSA-N 1 0 265.382 2.197 10 0 CEAERO C[NH2+]Cc1cc(F)ccc1-n1nnc2ccccc21 ZINC000037236907 173054528 /nfs/dbraw/zinc/05/45/28/173054528.db2.gz ZHYFWOBOGDPRJX-UHFFFAOYSA-N 1 0 256.284 2.279 10 0 CEAERO COC1CC[NH+]([C@@H](C)[C@H](N)c2ccc(C)cc2)CC1 ZINC000037266146 173076645 /nfs/dbraw/zinc/07/66/45/173076645.db2.gz VKOXHFAGWFAVDF-BBRMVZONSA-N 1 0 262.397 2.494 10 0 CEAERO O[C@H](c1cc2c(cc1Cl)OCCO2)[C@H]1CCC[NH2+]C1 ZINC000037332263 173133316 /nfs/dbraw/zinc/13/33/16/173133316.db2.gz WTYGRRJRZAZACV-XPTSAGLGSA-N 1 0 283.755 2.144 10 0 CEAERO C[C@@H](Cc1cccs1)[NH2+][C@H]1CN2CCC1CC2 ZINC000037413576 173190269 /nfs/dbraw/zinc/19/02/69/173190269.db2.gz OAGFITLLABWBJI-FZMZJTMJSA-N 1 0 250.411 2.363 10 0 CEAERO CC(C)[NH2+][C@@](C)(C(N)=O)c1ccccc1C(F)(F)F ZINC000037446555 173213649 /nfs/dbraw/zinc/21/36/49/173213649.db2.gz IFIAOSYKXKGSOZ-GFCCVEGCSA-N 1 0 274.286 2.404 10 0 CEAERO COc1ccc(CN(C)C(=O)C[NH2+]C2CCCC2)cc1 ZINC000037495901 173234965 /nfs/dbraw/zinc/23/49/65/173234965.db2.gz CUCADILZXDFBJC-UHFFFAOYSA-N 1 0 276.380 2.186 10 0 CEAERO CC(C)[NH2+]CC(=O)N(CC(F)(F)F)[C@H](C)C1CC1 ZINC000037495692 173235168 /nfs/dbraw/zinc/23/51/68/173235168.db2.gz XSGZZMBNCPBIDL-SECBINFHSA-N 1 0 266.307 2.174 10 0 CEAERO CCN(C(=O)c1ccc(F)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000037541051 173262664 /nfs/dbraw/zinc/26/26/64/173262664.db2.gz PQKICOJKKJQGLS-NSHDSACASA-N 1 0 268.307 2.179 10 0 CEAERO CN(C(=O)C12CC3CC(CC(C3)C1)C2)[C@@H]1CCC[NH2+]C1 ZINC000037540988 173262819 /nfs/dbraw/zinc/26/28/19/173262819.db2.gz NXTOSWRXGOYRDO-UZZMVUAXSA-N 1 0 276.424 2.413 10 0 CEAERO CCN(C(=O)NC1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000037541742 173263821 /nfs/dbraw/zinc/26/38/21/173263821.db2.gz GUURGJXLXKFSLT-ZDUSSCGKSA-N 1 0 253.390 2.103 10 0 CEAERO [NH3+]CCc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000037720982 173639051 /nfs/dbraw/zinc/63/90/51/173639051.db2.gz CSAOIXKGQJUEBK-LBPRGKRZSA-N 1 0 255.745 2.399 10 0 CEAERO C[NH2+]CCCC(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000037820703 173772933 /nfs/dbraw/zinc/77/29/33/173772933.db2.gz YPKWSWQKYAPSID-WFASDCNBSA-N 1 0 252.402 2.413 10 0 CEAERO CCOC(=O)[C@](CC)(C[C@@H](C)CC)N1CC[NH2+]CC1 ZINC000037964082 173907660 /nfs/dbraw/zinc/90/76/60/173907660.db2.gz RZRCMFOSYXCCNH-ZFWWWQNUSA-N 1 0 270.417 2.040 10 0 CEAERO CCc1ccc([C@@H](C)[NH2+]C[C@H](O)Cn2cccn2)cc1 ZINC000038012715 173981958 /nfs/dbraw/zinc/98/19/58/173981958.db2.gz RUESTIHTZPCNDU-CJNGLKHVSA-N 1 0 273.380 2.157 10 0 CEAERO Cc1ccc(NC(=O)[C@@H]2CCCN2C2CC[NH2+]CC2)cc1 ZINC000038042932 174047330 /nfs/dbraw/zinc/04/73/30/174047330.db2.gz ILAOLALKPZLSCT-INIZCTEOSA-N 1 0 287.407 2.150 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)c1cccc(OC(F)F)c1 ZINC000038048748 174059337 /nfs/dbraw/zinc/05/93/37/174059337.db2.gz GHXJZAOCTQTBLM-NWDGAFQWSA-N 1 0 284.306 2.288 10 0 CEAERO CC[C@@H]([NH3+])[C@H](O)c1ccc(OC)c(Br)c1 ZINC000038052383 174063788 /nfs/dbraw/zinc/06/37/88/174063788.db2.gz KPSYGMVTABJMRF-MWLCHTKSSA-N 1 0 274.158 2.228 10 0 CEAERO COC(=O)C[C@@H]([NH3+])c1ccc(OC)c(Br)c1 ZINC000038052372 174064084 /nfs/dbraw/zinc/06/40/84/174064084.db2.gz IYVWGBFPKXXSJG-SECBINFHSA-N 1 0 288.141 2.021 10 0 CEAERO COc1ccccc1CN(C)C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000038059159 174069126 /nfs/dbraw/zinc/06/91/26/174069126.db2.gz TYUFQFHWOQIRKH-INIZCTEOSA-N 1 0 284.359 2.354 10 0 CEAERO c1coc([C@@H]([NH2+]C[C@@H]2COCCO2)c2ccccc2)c1 ZINC000038060356 174070938 /nfs/dbraw/zinc/07/09/38/174070938.db2.gz BESQBKLJBBZOID-ZBFHGGJFSA-N 1 0 273.332 2.374 10 0 CEAERO CC[C@H](C)[NH2+][C@H](C(N)=O)c1ccc(OC(C)C)cc1 ZINC000038065143 174076261 /nfs/dbraw/zinc/07/62/61/174076261.db2.gz ZIHIMHYSSUIQGW-FZMZJTMJSA-N 1 0 264.369 2.388 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(F)c1 ZINC000038076604 174087655 /nfs/dbraw/zinc/08/76/55/174087655.db2.gz MYJDPIILJFKWPU-NEPJUHHUSA-N 1 0 251.305 2.217 10 0 CEAERO Cc1csc(CN[C@H](C)[C@@H]2CCC[N@H+](C)C2)n1 ZINC000038090928 174104995 /nfs/dbraw/zinc/10/49/95/174104995.db2.gz IHJASVSATQNRAZ-VXGBXAGGSA-N 1 0 253.415 2.271 10 0 CEAERO C[C@@H](Cc1ccco1)[NH2+][C@@H](C)C(=O)N1CCCCC1 ZINC000038092871 174106849 /nfs/dbraw/zinc/10/68/49/174106849.db2.gz YAXXWDBAQNSJTL-STQMWFEESA-N 1 0 264.369 2.201 10 0 CEAERO Cc1nc(C)c([C@H](C)[NH2+]CCCC(C)C)c(=O)[nH]1 ZINC000038093740 174107647 /nfs/dbraw/zinc/10/76/47/174107647.db2.gz HTRYWZUCSNVSJH-JTQLQIEISA-N 1 0 251.374 2.474 10 0 CEAERO O[C@H](C[NH2+]CC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000038096737 174110819 /nfs/dbraw/zinc/11/08/19/174110819.db2.gz YIIDXYWBHSNQTM-UONOGXRCSA-N 1 0 253.317 2.018 10 0 CEAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COC(C)(C)C)o1 ZINC000038097791 174111992 /nfs/dbraw/zinc/11/19/92/174111992.db2.gz GXXUMGCJZHPCHY-VXGBXAGGSA-N 1 0 255.358 2.415 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cccnc1Cl ZINC000038103311 174119699 /nfs/dbraw/zinc/11/96/99/174119699.db2.gz NYWDKYHLFZPEKG-LLVKDONJSA-N 1 0 283.803 2.441 10 0 CEAERO CCN1C(=O)/C(=C(C)/C=C2/CCC[N@@H+]2C)OC1=S ZINC000038614055 174150109 /nfs/dbraw/zinc/15/01/09/174150109.db2.gz LEOSWUSPSSGMKS-WGEIWTTOSA-N 1 0 266.366 2.034 10 0 CEAERO COC(=O)c1ccccc1CN1CC[NH2+]C[C@@H]1CC(C)C ZINC000039952601 174177877 /nfs/dbraw/zinc/17/78/77/174177877.db2.gz APMFYNNJNLMQGZ-HNNXBMFYSA-N 1 0 290.407 2.293 10 0 CEAERO C[NH+](C)CCCn1c2cc(Cl)ccc2nc1CO ZINC000040404170 174253684 /nfs/dbraw/zinc/25/36/84/174253684.db2.gz DPAFKLLVMKCKIS-UHFFFAOYSA-N 1 0 267.760 2.134 10 0 CEAERO CCCCCN(C(=O)[C@@H]([NH3+])CCSC)C(C)C ZINC000040467560 174275691 /nfs/dbraw/zinc/27/56/91/174275691.db2.gz AONKFCBUPXEPCD-LBPRGKRZSA-N 1 0 260.447 2.494 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000040491291 174292303 /nfs/dbraw/zinc/29/23/03/174292303.db2.gz PNUACVAQDNITJB-NEPJUHHUSA-N 1 0 294.395 2.269 10 0 CEAERO Cc1cccc(CC[C@H](C)[NH2+][C@H]2CCS(=O)(=O)C2)c1 ZINC000040500420 174296883 /nfs/dbraw/zinc/29/68/83/174296883.db2.gz SFMVAZJAZXUPNF-ZFWWWQNUSA-N 1 0 281.421 2.093 10 0 CEAERO CCCO[C@@H]1CCCN(C(=O)CCC[NH2+]C(C)C)C1 ZINC000040501388 174297522 /nfs/dbraw/zinc/29/75/22/174297522.db2.gz OJRPHRXAACJVCC-CQSZACIVSA-N 1 0 270.417 2.182 10 0 CEAERO CCN1CCC[C@H]([NH2+]Cc2ccc(C(=O)OC)cc2)C1 ZINC000040502247 174298405 /nfs/dbraw/zinc/29/84/05/174298405.db2.gz XKVTUMGVZFTZML-HNNXBMFYSA-N 1 0 276.380 2.047 10 0 CEAERO CCc1ncc(C[NH2+][C@H]2CCCN(CC)C2)s1 ZINC000040503000 174299991 /nfs/dbraw/zinc/29/99/91/174299991.db2.gz YGSSUYRUCUVPEO-NSHDSACASA-N 1 0 253.415 2.279 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N[C@@H](C)c1sc(C)nc1C ZINC000040519058 174308457 /nfs/dbraw/zinc/30/84/57/174308457.db2.gz BFHLVTYFJPKOKD-POZPLHJXSA-N 1 0 269.414 2.311 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)N[C@H](C)c1sc(C)nc1C ZINC000040519127 174308877 /nfs/dbraw/zinc/30/88/77/174308877.db2.gz OEJNCZGNEFTQNL-WCBMZHEXSA-N 1 0 269.414 2.325 10 0 CEAERO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(Cl)c(N)c2)C1 ZINC000040620331 174354274 /nfs/dbraw/zinc/35/42/74/174354274.db2.gz ATDDHRBBRBMBMK-LLVKDONJSA-N 1 0 295.814 2.382 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000040629920 174358000 /nfs/dbraw/zinc/35/80/00/174358000.db2.gz REHNFGQFZDRAJX-QWRGUYRKSA-N 1 0 288.269 2.021 10 0 CEAERO COc1cccc([C@H](C)[NH2+]CCc2nccn2C)c1 ZINC000040638719 174362710 /nfs/dbraw/zinc/36/27/10/174362710.db2.gz YBRNRWNUOHXMAK-LBPRGKRZSA-N 1 0 259.353 2.322 10 0 CEAERO CCOC(=O)C[C@@H]([NH3+])c1cccc(OC(C)C)c1 ZINC000040641128 174364396 /nfs/dbraw/zinc/36/43/96/174364396.db2.gz ASWSHALRGABUNP-CYBMUJFWSA-N 1 0 251.326 2.427 10 0 CEAERO Cc1cc(C)c(OCCC(=O)N(C)CCC[NH3+])c(C)c1 ZINC000040677992 174374302 /nfs/dbraw/zinc/37/43/02/174374302.db2.gz JNYFJGHYKPGQAC-UHFFFAOYSA-N 1 0 278.396 2.188 10 0 CEAERO CC(C)n1c2cccc(F)c2nc1[C@H]([NH3+])CCO ZINC000040710366 174380764 /nfs/dbraw/zinc/38/07/64/174380764.db2.gz ULWMUKBNCJBKMC-SNVBAGLBSA-N 1 0 251.305 2.139 10 0 CEAERO [NH3+][C@H](CCO)c1nc2cccc(Cl)c2n1C1CC1 ZINC000040710390 174380889 /nfs/dbraw/zinc/38/08/89/174380889.db2.gz TWMPLJTZDUOZKF-SNVBAGLBSA-N 1 0 265.744 2.407 10 0 CEAERO [NH3+][C@H](CCO)c1nc2cc(Br)ccc2s1 ZINC000040710442 174381257 /nfs/dbraw/zinc/38/12/57/174381257.db2.gz YRHFTYFYSLYMDI-SSDOTTSWSA-N 1 0 287.182 2.441 10 0 CEAERO C[NH+](C)C[C@H](O)CNc1ccc(F)c(C(F)(F)F)c1 ZINC000040712840 174381295 /nfs/dbraw/zinc/38/12/95/174381295.db2.gz IMNPQTDYMWAHJE-SECBINFHSA-N 1 0 280.265 2.179 10 0 CEAERO C[N@@H+]1CCC[C@H](Nc2ccc3scnc3c2N)C1 ZINC000040715788 174382993 /nfs/dbraw/zinc/38/29/93/174382993.db2.gz GTFOAJZBJKNEFN-VIFPVBQESA-N 1 0 262.382 2.385 10 0 CEAERO Cc1nn(C[C@H](O)c2ccc(C[NH3+])cc2)c(C)c1C ZINC000040729123 174388247 /nfs/dbraw/zinc/38/82/47/174388247.db2.gz YQDHCCRXHGUQIQ-HNNXBMFYSA-N 1 0 259.353 2.001 10 0 CEAERO CCc1c(C)nn(-c2nc3sccn3c2C[NH3+])c1C ZINC000040733510 174388590 /nfs/dbraw/zinc/38/85/90/174388590.db2.gz ALSMIMFJJXQPNR-UHFFFAOYSA-N 1 0 275.381 2.219 10 0 CEAERO CCc1c(C)nn(CC(=O)Nc2ccc(C[NH3+])cc2)c1C ZINC000040731803 174388841 /nfs/dbraw/zinc/38/88/41/174388841.db2.gz FNRQAYFAYXMUAS-UHFFFAOYSA-N 1 0 286.379 2.160 10 0 CEAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(Cl)ccc1O ZINC000040740700 174391144 /nfs/dbraw/zinc/39/11/44/174391144.db2.gz PMCWSTSVKXKTLD-ZACCUICWSA-N 1 0 280.755 2.058 10 0 CEAERO CCCN(C(=O)Cc1ccccn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747919 174393050 /nfs/dbraw/zinc/39/30/50/174393050.db2.gz YOTNZUCGQPETFK-XYPWUTKMSA-N 1 0 287.407 2.146 10 0 CEAERO Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2CC([NH3+])C3)s1 ZINC000040749689 174394459 /nfs/dbraw/zinc/39/44/59/174394459.db2.gz XDGWLUOZZRWSQD-FGWVZKOKSA-N 1 0 250.367 2.151 10 0 CEAERO CN(C)Nc1[nH+]cnc(Nc2cccc3cccnc32)c1N ZINC000040758267 174396803 /nfs/dbraw/zinc/39/68/03/174396803.db2.gz HMTMAYHMGGBHKB-UHFFFAOYSA-N 1 0 295.350 2.239 10 0 CEAERO CC[NH+](CC)CCCNc1ccc(N)cc1C(=O)OC ZINC000041081612 174474544 /nfs/dbraw/zinc/47/45/44/174474544.db2.gz QNDMLJHQQUWMGZ-UHFFFAOYSA-N 1 0 279.384 2.199 10 0 CEAERO C[C@H](OCc1ccccc1)C(=O)N1CCC(CC[NH3+])CC1 ZINC000404513033 414785742 /nfs/dbraw/zinc/78/57/42/414785742.db2.gz QSYYKFXOHJTFBX-AWEZNQCLSA-N 1 0 290.407 2.179 10 0 CEAERO CN(Cc1ccccc1)C[C@@H](O)C[NH+]1CCCCCC1 ZINC000121060605 414786166 /nfs/dbraw/zinc/78/61/66/414786166.db2.gz VMFSIVHZBISXEX-QGZVFWFLSA-N 1 0 276.424 2.355 10 0 CEAERO CC(C)c1ccccc1OCC[NH2+]CCN(C)C ZINC000041307606 174516551 /nfs/dbraw/zinc/51/65/51/174516551.db2.gz AENWMNZQVIKOPF-UHFFFAOYSA-N 1 0 250.386 2.340 10 0 CEAERO Cc1cccc(CCNC(=O)C2CCC([NH3+])CC2)c1 ZINC000051670837 414747545 /nfs/dbraw/zinc/74/75/45/414747545.db2.gz PINIYDVXDPVOLT-UHFFFAOYSA-N 1 0 260.381 2.171 10 0 CEAERO COc1cc(CC[C@H]2CCC[NH2+]2)cc(OC)c1OC ZINC000041381472 174539164 /nfs/dbraw/zinc/53/91/64/174539164.db2.gz UCUUVOLPKVQZPM-GFCCVEGCSA-N 1 0 265.353 2.397 10 0 CEAERO Cc1cnc([C@@H](C)NC(=O)C[C@H]([NH3+])C(C)C)s1 ZINC000124536219 414797278 /nfs/dbraw/zinc/79/72/78/414797278.db2.gz ZZSXEQUXYCXUNJ-ZJUUUORDSA-N 1 0 255.387 2.002 10 0 CEAERO CN(C(=O)CC1CCCCC1)[C@H](C[NH3+])C(F)(F)F ZINC000662977945 414816227 /nfs/dbraw/zinc/81/62/27/414816227.db2.gz NOLBCNDSBVELTO-SNVBAGLBSA-N 1 0 266.307 2.305 10 0 CEAERO CN(C(=O)C1C(C)(C)C1(C)C)[C@H](C[NH3+])C(F)(F)F ZINC000662978137 414816779 /nfs/dbraw/zinc/81/67/79/414816779.db2.gz FAIKADVFOKVFMA-SSDOTTSWSA-N 1 0 266.307 2.017 10 0 CEAERO CSc1ccccc1C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662977146 414817605 /nfs/dbraw/zinc/81/76/05/414817605.db2.gz STXPOOVSEKCMAX-JTQLQIEISA-N 1 0 292.326 2.370 10 0 CEAERO Cc1scc(C(=O)N(C)[C@H](C[NH3+])C(F)(F)F)c1C ZINC000662984276 414819345 /nfs/dbraw/zinc/81/93/45/414819345.db2.gz JSYFOUSKNAAROX-SECBINFHSA-N 1 0 280.315 2.327 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)NCc1cnccc1C(F)(F)F ZINC000663002254 414823409 /nfs/dbraw/zinc/82/34/09/414823409.db2.gz OBSKZKFUDXZBNW-NSHDSACASA-N 1 0 289.301 2.090 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cccc(C(C)=O)c2)C1 ZINC000041663393 174595816 /nfs/dbraw/zinc/59/58/16/174595816.db2.gz GCLDITLFEWOQHC-OAHLLOKOSA-N 1 0 289.379 2.495 10 0 CEAERO COc1cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@H]2O)on1 ZINC000660463665 414835426 /nfs/dbraw/zinc/83/54/26/414835426.db2.gz DUVJKRRTCGSPPV-MGPQQGTHSA-N 1 0 280.368 2.199 10 0 CEAERO Cc1cc(NC(=O)Nc2cccc([C@H](C)[NH3+])c2)n(C)n1 ZINC000041711593 174613177 /nfs/dbraw/zinc/61/31/77/174613177.db2.gz UXXHZENBTQBHLW-JTQLQIEISA-N 1 0 273.340 2.392 10 0 CEAERO C[C@H]([NH3+])c1cccc(NC(=O)Nc2cnccn2)c1 ZINC000041716899 174615148 /nfs/dbraw/zinc/61/51/48/174615148.db2.gz UPCGKIGUIPZWJZ-VIFPVBQESA-N 1 0 257.297 2.140 10 0 CEAERO CC[C@]1(C)CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653099252 414907188 /nfs/dbraw/zinc/90/71/88/414907188.db2.gz JZCQDKXCRMEBLG-CKYFFXLPSA-N 1 0 278.318 2.033 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]1)Nc1ccc(F)c(F)c1F ZINC000042165489 174648206 /nfs/dbraw/zinc/64/82/06/174648206.db2.gz OYVBECQTZSJHGI-SSDOTTSWSA-N 1 0 258.243 2.185 10 0 CEAERO Oc1cccc2c1CC[C@@H]2[NH2+]CCO[C@H]1CC1(F)F ZINC000660651240 414916899 /nfs/dbraw/zinc/91/68/99/414916899.db2.gz ZAPOXTRPPDATTR-AAEUAGOBSA-N 1 0 269.291 2.393 10 0 CEAERO COc1ccccc1[C@@H](C)N(C)C(=O)C[C@H]1CCC[NH2+]1 ZINC000042169209 174650415 /nfs/dbraw/zinc/65/04/15/174650415.db2.gz NAYDIGDMAAGVHZ-CHWSQXEVSA-N 1 0 276.380 2.357 10 0 CEAERO CC(C)OCCOC[C@@H](O)C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000042257255 174667967 /nfs/dbraw/zinc/66/79/67/174667967.db2.gz AFAOBJTWMKDDQM-BBRMVZONSA-N 1 0 299.386 2.279 10 0 CEAERO COCCN(CC(C)C)c1nc(C)cc(C)c1C(N)=[NH2+] ZINC000042369423 174700559 /nfs/dbraw/zinc/70/05/59/174700559.db2.gz MXUXBXWJCXHVLX-UHFFFAOYSA-N 1 0 278.400 2.091 10 0 CEAERO CCNC(=O)CN(CC)c1ccccc1C[NH2+]C(C)C ZINC000042370529 174700875 /nfs/dbraw/zinc/70/08/75/174700875.db2.gz QFWCJQVZSXXOBA-UHFFFAOYSA-N 1 0 277.412 2.147 10 0 CEAERO C[NH2+][C@@H](C)c1ccccc1N(CCCOC)CCOC ZINC000042422823 174722570 /nfs/dbraw/zinc/72/25/70/174722570.db2.gz ZUBKOSMGAXGVNZ-AWEZNQCLSA-N 1 0 280.412 2.456 10 0 CEAERO CCCc1nccnc1N1CCC(C[NH2+]CC)CC1 ZINC000663273294 414899967 /nfs/dbraw/zinc/89/99/67/414899967.db2.gz ZZMHMIVSJHYCFA-UHFFFAOYSA-N 1 0 262.401 2.255 10 0 CEAERO CCN1CC[C@@H]([NH2+]Cc2cc(COC)cs2)C1 ZINC000657496195 414975402 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C[NH2+]Cc1ccc(S(=O)(=O)N(C)[C@H](C)C(C)(C)C)cc1 ZINC000042782312 174878429 /nfs/dbraw/zinc/87/84/29/174878429.db2.gz XBLNTCHQIWHJIT-GFCCVEGCSA-N 1 0 298.452 2.461 10 0 CEAERO OCC1CC([NH2+]Cc2csc(Br)c2)C1 ZINC000657812075 415090817 /nfs/dbraw/zinc/09/08/17/415090817.db2.gz FQPGTKXVURVOEM-UHFFFAOYSA-N 1 0 276.199 2.371 10 0 CEAERO Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C[C@H]2CCCCO2)c1 ZINC000042818957 174886677 /nfs/dbraw/zinc/88/66/77/174886677.db2.gz KZZMVFPGTRHDDV-JKSUJKDBSA-N 1 0 293.407 2.202 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccc(Cl)cc1)n1cncn1 ZINC000042947300 174922276 /nfs/dbraw/zinc/92/22/76/174922276.db2.gz DXDPSUYCHGZMOK-RYUDHWBXSA-N 1 0 250.733 2.258 10 0 CEAERO [NH3+]C[C@H](OC[C@@H]1CCOC1)c1ccc(Cl)cc1 ZINC000042949885 174923195 /nfs/dbraw/zinc/92/31/95/174923195.db2.gz GLKMIVUFLFILDU-MFKMUULPSA-N 1 0 255.745 2.393 10 0 CEAERO COC(=O)CCS[C@H](C[NH3+])c1ccccc1C ZINC000043041677 174953724 /nfs/dbraw/zinc/95/37/24/174953724.db2.gz XEMPTNFHRUPZAG-GFCCVEGCSA-N 1 0 253.367 2.291 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccccc1F)N1CCC(O)CC1 ZINC000043042426 174954359 /nfs/dbraw/zinc/95/43/59/174954359.db2.gz QLLOYKNCMGBBQX-LSDHHAIUSA-N 1 0 266.360 2.061 10 0 CEAERO C[C@H]([NH3+])[C@@H](Sc1nncn1C)c1ccccc1F ZINC000043049414 174958009 /nfs/dbraw/zinc/95/80/09/174958009.db2.gz MIXCOMNHKQWQPC-GZMMTYOYSA-N 1 0 266.345 2.135 10 0 CEAERO CCCCN(CC(N)=O)[C@H](c1ccccc1Cl)[C@@H](C)[NH3+] ZINC000043052863 174961100 /nfs/dbraw/zinc/96/11/00/174961100.db2.gz OKMATDURTABYLU-ABAIWWIYSA-N 1 0 297.830 2.316 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1nc[nH]n1)c1ccccc1OC ZINC000043100780 174967608 /nfs/dbraw/zinc/96/76/08/174967608.db2.gz LNRKDOOLDBIOCK-CMPLNLGQSA-N 1 0 278.381 2.384 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1cccs1)N1CCCN(C(C)=O)CC1 ZINC000043106729 174972244 /nfs/dbraw/zinc/97/22/44/174972244.db2.gz NGFXKXWQXCHVCN-ZFWWWQNUSA-N 1 0 295.452 2.081 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1nc(N)cc(N)n1)c1cccs1 ZINC000043114731 174974806 /nfs/dbraw/zinc/97/48/06/174974806.db2.gz GLJHGSJVBAZQRP-HQJQHLMTSA-N 1 0 295.437 2.273 10 0 CEAERO COc1ccc([C@@H](C[NH3+])n2ccc(C(F)(F)F)n2)cc1 ZINC000043298173 174999185 /nfs/dbraw/zinc/99/91/85/174999185.db2.gz WWZPIETXQLZZNB-LLVKDONJSA-N 1 0 285.269 2.459 10 0 CEAERO C[NH2+][C@H](c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000043300574 175001771 /nfs/dbraw/zinc/00/17/71/175001771.db2.gz STVPDQXMMCBIIC-CABZTGNLSA-N 1 0 273.785 2.035 10 0 CEAERO CC[NH2+][C@@H](c1ccccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000043300997 175001796 /nfs/dbraw/zinc/00/17/96/175001796.db2.gz GDFNNMLHEGKANM-TZMCWYRMSA-N 1 0 267.394 2.080 10 0 CEAERO CCC[NH2+][C@@H](c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000043301429 175001971 /nfs/dbraw/zinc/00/19/71/175001971.db2.gz HNBPCWPLWVUPDW-KBPBESRZSA-N 1 0 267.394 2.162 10 0 CEAERO CCC[NH2+][C@H](c1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043301363 175002102 /nfs/dbraw/zinc/00/21/02/175002102.db2.gz POVJDMFXHUGOIZ-UKRRQHHQSA-N 1 0 297.420 2.171 10 0 CEAERO CCC[NH2+][C@H](c1ccccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000043301445 175002145 /nfs/dbraw/zinc/00/21/45/175002145.db2.gz JHNSXMXQTRABMJ-HIFRSBDPSA-N 1 0 281.421 2.470 10 0 CEAERO COc1ccc(Cl)c(NC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000043317470 175005202 /nfs/dbraw/zinc/00/52/02/175005202.db2.gz JMQPACZHDNSHSX-LLVKDONJSA-N 1 0 284.787 2.217 10 0 CEAERO COc1ccc(Cl)c(NC(=O)CC[NH2+]C2CC2)c1 ZINC000043318643 175005634 /nfs/dbraw/zinc/00/56/34/175005634.db2.gz VTINLODMCFEQNS-UHFFFAOYSA-N 1 0 268.744 2.429 10 0 CEAERO COc1ccc(Cl)c(NC(=O)[C@H]([NH3+])C(C)C)c1 ZINC000043318560 175005695 /nfs/dbraw/zinc/00/56/95/175005695.db2.gz DMQCARHTBVOQHE-LLVKDONJSA-N 1 0 256.733 2.270 10 0 CEAERO Cc1c(F)cccc1NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000043320127 175005810 /nfs/dbraw/zinc/00/58/10/175005810.db2.gz GQSAQFSGGSYLFK-UHFFFAOYSA-N 1 0 293.386 2.099 10 0 CEAERO COC(=O)c1cc(N[C@@H]2CCC[NH2+]C2)ccc1Cl ZINC000043325698 175006785 /nfs/dbraw/zinc/00/67/85/175006785.db2.gz UPVFUFLQKXNYSI-SNVBAGLBSA-N 1 0 268.744 2.291 10 0 CEAERO CC(C)n1ncc2cc(N[C@H]3CCC[NH2+]C3)cnc21 ZINC000043324963 175006864 /nfs/dbraw/zinc/00/68/64/175006864.db2.gz HJGJPFOIGGNCSW-LBPRGKRZSA-N 1 0 259.357 2.176 10 0 CEAERO COC(=O)c1cc(N[C@H]2CCC[NH2+]C2)ccc1Cl ZINC000043325699 175007263 /nfs/dbraw/zinc/00/72/63/175007263.db2.gz UPVFUFLQKXNYSI-JTQLQIEISA-N 1 0 268.744 2.291 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccccn1)N(C)Cc1cc(C)on1 ZINC000043339485 175013518 /nfs/dbraw/zinc/01/35/18/175013518.db2.gz FTJXQARMCSTFDY-DZGCQCFKSA-N 1 0 274.368 2.288 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccccn1)N(C)C[C@@H]1CCCCO1 ZINC000043340061 175014552 /nfs/dbraw/zinc/01/45/52/175014552.db2.gz XLVXEWANGGVLLU-SQWLQELKSA-N 1 0 277.412 2.361 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1cccnc1)N(C)Cc1ccncc1 ZINC000043346482 175017537 /nfs/dbraw/zinc/01/75/37/175017537.db2.gz JPOONLDQOLQHRM-JKSUJKDBSA-N 1 0 270.380 2.387 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1cccnc1)N1CCCSCC1 ZINC000043347394 175017873 /nfs/dbraw/zinc/01/78/73/175017873.db2.gz JNUUBRYZJLURAG-ZIAGYGMSSA-N 1 0 265.426 2.299 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1cccnc1)N(C)Cc1cscn1 ZINC000043348659 175018324 /nfs/dbraw/zinc/01/83/24/175018324.db2.gz WMWJPUGUYGJFAW-ZWNOBZJWSA-N 1 0 262.382 2.058 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](OCCOC(C)C)c1cccnc1 ZINC000043350289 175019150 /nfs/dbraw/zinc/01/91/50/175019150.db2.gz GTIUEKCYHDSKPX-KGLIPLIRSA-N 1 0 252.358 2.302 10 0 CEAERO C[C@H]([NH3+])[C@@H](Oc1ccc(CO)cc1)c1cccnc1 ZINC000043351428 175019684 /nfs/dbraw/zinc/01/96/84/175019684.db2.gz UCFOSZYIVDELHQ-XHDPSFHLSA-N 1 0 258.321 2.041 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1cnn(C)c1)c1cccnc1 ZINC000043352856 175020245 /nfs/dbraw/zinc/02/02/45/175020245.db2.gz HNCOLIDBAYEDTA-QWHCGFSZSA-N 1 0 262.382 2.386 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1cnn(C)c1)c1cccnc1 ZINC000043352857 175020507 /nfs/dbraw/zinc/02/05/07/175020507.db2.gz HNCOLIDBAYEDTA-CHWSQXEVSA-N 1 0 262.382 2.386 10 0 CEAERO CCOC1CCN([C@H](c2ccncc2)[C@H]([NH3+])CC)CC1 ZINC000043353916 175020644 /nfs/dbraw/zinc/02/06/44/175020644.db2.gz PPTDEYGQGTXSEL-HZPDHXFCSA-N 1 0 277.412 2.361 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccncc1)N(C)Cc1ccccn1 ZINC000043353508 175021040 /nfs/dbraw/zinc/02/10/40/175021040.db2.gz HLFWHWHHOKELOB-HZPDHXFCSA-N 1 0 270.380 2.387 10 0 CEAERO CCCN(CC(F)(F)F)[C@H](C[NH3+])c1ccncc1 ZINC000043354834 175022501 /nfs/dbraw/zinc/02/25/01/175022501.db2.gz CWRWRERZIPNFNK-LLVKDONJSA-N 1 0 261.291 2.356 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1ccncc1)N(CC(F)(F)F)C1CC1 ZINC000043354826 175022777 /nfs/dbraw/zinc/02/27/77/175022777.db2.gz MLQPKZCLVNSPLE-SKDRFNHKSA-N 1 0 273.302 2.497 10 0 CEAERO C[C@H]([NH3+])[C@@H](OC[C@@H]1CCCCO1)c1ccncc1 ZINC000043355693 175023037 /nfs/dbraw/zinc/02/30/37/175023037.db2.gz BVLWFWOLIUVUNE-FPMFFAJLSA-N 1 0 250.342 2.056 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1nccn1C)c1ccncc1 ZINC000043356407 175023512 /nfs/dbraw/zinc/02/35/12/175023512.db2.gz UBSXJCBLEWCASJ-NEPJUHHUSA-N 1 0 262.382 2.386 10 0 CEAERO CCCCOCCO[C@@H](c1ccncc1)[C@H](C)[NH3+] ZINC000043355945 175023555 /nfs/dbraw/zinc/02/35/55/175023555.db2.gz KHENBIUTINVUBI-GXTWGEPZSA-N 1 0 252.358 2.303 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccc(C)o1)N(C)[C@@H](C)COC ZINC000043364902 175025447 /nfs/dbraw/zinc/02/54/47/175025447.db2.gz CFUHNERCZLZHKN-VHRBIJSZSA-N 1 0 254.374 2.333 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)N(C)Cc1cnn(C)c1 ZINC000043364819 175025639 /nfs/dbraw/zinc/02/56/39/175025639.db2.gz YKVPRGZIDZXGTF-UKRRQHHQSA-N 1 0 276.384 2.232 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccc(C)o1)N(C)CC(=O)N(CC)CC ZINC000043364924 175025851 /nfs/dbraw/zinc/02/58/51/175025851.db2.gz BRECNJVNDSREBQ-XJKSGUPXSA-N 1 0 295.427 2.167 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)N1CCOC(C)(C)C1 ZINC000043364455 175025867 /nfs/dbraw/zinc/02/58/67/175025867.db2.gz KKKJKADDVDCVAP-OCCSQVGLSA-N 1 0 266.385 2.477 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)N(CCCOC)CCOC ZINC000043365046 175026161 /nfs/dbraw/zinc/02/61/61/175026161.db2.gz QZYWNQLVWRWZSP-HOCLYGCPSA-N 1 0 298.427 2.351 10 0 CEAERO Cc1ccc([C@H](Oc2ccccc2C(N)=O)[C@@H](C)[NH3+])o1 ZINC000043366512 175027052 /nfs/dbraw/zinc/02/70/52/175027052.db2.gz JBVUTUGQYBTYIW-QMTHXVAHSA-N 1 0 274.320 2.154 10 0 CEAERO CC[C@H]([NH3+])[C@@H](N(C)[C@@H]1CCSC1)C(F)(F)F ZINC000043377121 175030218 /nfs/dbraw/zinc/03/02/18/175030218.db2.gz SNYWJBZAWLFJDW-HRDYMLBCSA-N 1 0 256.337 2.092 10 0 CEAERO C[C@H]([NH3+])[C@H](n1cc(Br)cn1)C(F)(F)F ZINC000043383080 175031336 /nfs/dbraw/zinc/03/13/36/175031336.db2.gz KJISDYOIHYNTLR-NJGYIYPDSA-N 1 0 272.068 2.096 10 0 CEAERO CC[C@H]([NH3+])[C@@H](n1cc(Br)cn1)C(F)(F)F ZINC000043383091 175031372 /nfs/dbraw/zinc/03/13/72/175031372.db2.gz OZSQGNNEWDUVHM-NKWVEPMBSA-N 1 0 286.095 2.486 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Oc1ccc2c(c1)OCO2)C(F)(F)F ZINC000043384535 175031724 /nfs/dbraw/zinc/03/17/24/175031724.db2.gz JXHDCZJXDGWQSQ-KCJUWKMLSA-N 1 0 277.242 2.462 10 0 CEAERO C[C@H]([NH3+])[C@H](Sc1nnnn1C1CCCC1)C(F)(F)F ZINC000043385789 175032170 /nfs/dbraw/zinc/03/21/70/175032170.db2.gz SBQZXYHLESXQFA-XPUUQOCRSA-N 1 0 295.334 2.158 10 0 CEAERO Cc1ccc([C@@H](O)C[N@@H+](C)C2CCN(C)CC2)cc1C ZINC000043511850 175060659 /nfs/dbraw/zinc/06/06/59/175060659.db2.gz CUZQXHQZVBKCGS-KRWDZBQOSA-N 1 0 276.424 2.363 10 0 CEAERO C[NH2+][C@@H](CN1C[C@H](C)O[C@@H](C)C1)c1cccc(OC)c1 ZINC000043811338 175110590 /nfs/dbraw/zinc/11/05/90/175110590.db2.gz LFDBERLTUQFCTF-XEZPLFJOSA-N 1 0 278.396 2.065 10 0 CEAERO C[NH2+][C@H](CN(C)C(C)C)c1ccc2c(c1)OCCO2 ZINC000043813123 175110890 /nfs/dbraw/zinc/11/08/90/175110890.db2.gz MLFRXJVPSPIKOF-CYBMUJFWSA-N 1 0 264.369 2.059 10 0 CEAERO CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N1C[C@@H](C)O[C@@H](C)C1 ZINC000043811474 175110986 /nfs/dbraw/zinc/11/09/86/175110986.db2.gz CKLANGMEPUZGNY-RMEBNNNOSA-N 1 0 254.418 2.262 10 0 CEAERO CC[NH2+][C@H]1CCC2(C[C@H]1N1CCCCCC1)OCCO2 ZINC000043812222 175111303 /nfs/dbraw/zinc/11/13/03/175111303.db2.gz VSUDZEXNMLIKSM-LSDHHAIUSA-N 1 0 282.428 2.136 10 0 CEAERO CC[NH2+][C@H](CN(C)CC)c1cc(OC)ccc1OC ZINC000043820458 175113707 /nfs/dbraw/zinc/11/37/07/175113707.db2.gz DBELRMHPAPCLBQ-CQSZACIVSA-N 1 0 266.385 2.306 10 0 CEAERO C[NH2+][C@H]1c2ccccc2C[C@@H]1N(C)CCc1ccccn1 ZINC000043818736 175113831 /nfs/dbraw/zinc/11/38/31/175113831.db2.gz YLARRUOZXCRUFE-ROUUACIJSA-N 1 0 281.403 2.441 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2C[C@@H]1N(C)CCc1ccccn1 ZINC000043818734 175113935 /nfs/dbraw/zinc/11/39/35/175113935.db2.gz YLARRUOZXCRUFE-ZWKOTPCHSA-N 1 0 281.403 2.441 10 0 CEAERO C[NH2+][C@@H](CN1CCC(OC)CC1)c1ccc(OC)cc1 ZINC000043889958 175117444 /nfs/dbraw/zinc/11/74/44/175117444.db2.gz SHKOOPMNDSRISU-INIZCTEOSA-N 1 0 278.396 2.067 10 0 CEAERO CC[NH2+][C@H]1CCC2(C[C@@H]1N(CC)CC(C)C)OCCO2 ZINC000043888211 175117467 /nfs/dbraw/zinc/11/74/67/175117467.db2.gz HJFQQAVGELMTDO-GJZGRUSLSA-N 1 0 284.444 2.238 10 0 CEAERO CC[NH2+][C@H](c1ccccc1)[C@H](C)N1CCOC[C@@H]1C ZINC000043891363 175118313 /nfs/dbraw/zinc/11/83/13/175118313.db2.gz AGPGXIRMAXMART-DZKIICNBSA-N 1 0 262.397 2.446 10 0 CEAERO CC[C@@H]1CC[C@H]([NH2+]C)[C@H](N2CCOC[C@@H]2CC)C1 ZINC000043898904 175121148 /nfs/dbraw/zinc/12/11/48/175121148.db2.gz GVIKPUSTMXZETP-CBBWQLFWSA-N 1 0 254.418 2.264 10 0 CEAERO CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N(C)C1CCOCC1 ZINC000043898352 175121506 /nfs/dbraw/zinc/12/15/06/175121506.db2.gz OSAJRWUXDROQBR-QEJZJMRPSA-N 1 0 254.418 2.264 10 0 CEAERO C[NH2+][C@H]1CCCCC[C@H]1N(C)CCc1ccncc1 ZINC000043901842 175121873 /nfs/dbraw/zinc/12/18/73/175121873.db2.gz LESLVFHJMCGILG-JKSUJKDBSA-N 1 0 261.413 2.477 10 0 CEAERO C[NH2+][C@H](CN(CCOC)CCOC)c1ccc(C)cc1C ZINC000043912528 175123700 /nfs/dbraw/zinc/12/37/00/175123700.db2.gz XGCUCCMXSIYWJA-QGZVFWFLSA-N 1 0 294.439 2.159 10 0 CEAERO CCc1ccc([C@@H](CN(CCOC)CCOC)[NH2+]C)cc1 ZINC000043912593 175124172 /nfs/dbraw/zinc/12/41/72/175124172.db2.gz VDNWWHQIABTMFW-QGZVFWFLSA-N 1 0 294.439 2.104 10 0 CEAERO CC[C@@H]1CO[C@@H](C)CN1[C@@H]1COc2ccccc2[C@@H]1[NH2+]C ZINC000043913930 175124548 /nfs/dbraw/zinc/12/45/48/175124548.db2.gz FLZNXYOVGBGSLH-SHFYGJNESA-N 1 0 290.407 2.207 10 0 CEAERO CCc1ccc([C@H]([NH2+]C)[C@H](C)N(C)CCOC)cc1 ZINC000043915621 175124806 /nfs/dbraw/zinc/12/48/06/175124806.db2.gz FYFUWXUQQLRHSK-XJKSGUPXSA-N 1 0 264.413 2.476 10 0 CEAERO CCC[NH2+][C@@H](CN(C)CCOC)c1ccc(OC)cc1 ZINC000043916304 175125166 /nfs/dbraw/zinc/12/51/66/175125166.db2.gz ZIYFJUWXTJDGEW-INIZCTEOSA-N 1 0 280.412 2.314 10 0 CEAERO CCC[NH2+][C@@H](CN(C)CCOC)c1ccccc1 ZINC000043916184 175125246 /nfs/dbraw/zinc/12/52/46/175125246.db2.gz KEJFYISOYWLFIL-HNNXBMFYSA-N 1 0 250.386 2.306 10 0 CEAERO CC[NH2+][C@@H]1CCCCC[C@@H]1N(C)Cc1cnn(C)c1 ZINC000043967237 175128627 /nfs/dbraw/zinc/12/86/27/175128627.db2.gz GGBMLQOBSKLZKM-CABCVRRESA-N 1 0 264.417 2.163 10 0 CEAERO CC[NH2+][C@@H](CN(CC)CCOC)c1ccccc1OC ZINC000043968623 175129640 /nfs/dbraw/zinc/12/96/40/175129640.db2.gz WPXAACULBVFCLY-HNNXBMFYSA-N 1 0 280.412 2.314 10 0 CEAERO CC[NH2+][C@H](CN(C)[C@@H](C)COC)c1ccc(OC)cc1 ZINC000043969208 175130816 /nfs/dbraw/zinc/13/08/16/175130816.db2.gz WYEGPXCLEBSDCT-XJKSGUPXSA-N 1 0 280.412 2.313 10 0 CEAERO C1CN(c2nc3c(s2)CCCCCC3)CC[NH2+]1 ZINC000044494084 175181379 /nfs/dbraw/zinc/18/13/79/175181379.db2.gz CZSCIGJBYWGQEU-UHFFFAOYSA-N 1 0 251.399 2.212 10 0 CEAERO [NH3+]CC1CCN(C(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000044513037 175188992 /nfs/dbraw/zinc/18/89/92/175188992.db2.gz CLPRNVIANDYCNB-BFHYXJOUSA-N 1 0 250.386 2.010 10 0 CEAERO COc1cc(OC)c(OC)cc1CN1CCCC[C@H]1C[NH3+] ZINC000044539937 175200549 /nfs/dbraw/zinc/20/05/49/175200549.db2.gz QXCKPHKJXMDLMX-ZDUSSCGKSA-N 1 0 294.395 2.026 10 0 CEAERO [NH3+]Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000044673761 175226522 /nfs/dbraw/zinc/22/65/22/175226522.db2.gz ZLLHYTWOYSKHNG-JKSUJKDBSA-N 1 0 266.344 2.431 10 0 CEAERO C[NH2+][C@@H]1CCCc2cc(O[C@@H](C)C(=O)OC)ccc21 ZINC000044745097 175241735 /nfs/dbraw/zinc/24/17/35/175241735.db2.gz INMHYNBJXZAXHU-IINYFYTJSA-N 1 0 263.337 2.224 10 0 CEAERO CC[NH2+][C@H]1CCCc2cc(OC[C@@H]3CNC(=O)O3)ccc21 ZINC000044745576 175242005 /nfs/dbraw/zinc/24/20/05/175242005.db2.gz MFFSPQYMKAPHAV-ZFWWWQNUSA-N 1 0 290.363 2.161 10 0 CEAERO CCCNC(=O)[C@H](C)[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000044747153 175242582 /nfs/dbraw/zinc/24/25/82/175242582.db2.gz FTXGSZNCVCEVTF-XHDPSFHLSA-N 1 0 276.380 2.274 10 0 CEAERO Cn1ccnc1CC[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000044747468 175242959 /nfs/dbraw/zinc/24/29/59/175242959.db2.gz JPQLSLZRXUYSBI-OAHLLOKOSA-N 1 0 271.364 2.335 10 0 CEAERO Cc1cc(N)ccc1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000044748651 175244065 /nfs/dbraw/zinc/24/40/65/175244065.db2.gz BEGBRLSFXKJHHS-UHFFFAOYSA-N 1 0 289.423 2.429 10 0 CEAERO Cc1cc(N)ccc1C(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000044748907 175244329 /nfs/dbraw/zinc/24/43/29/175244329.db2.gz VRRPSQKEFFJOOO-LQDVMPOASA-N 1 0 287.407 2.180 10 0 CEAERO C[C@@H](NC(=O)C1(C[NH3+])CCCCC1)c1ccncc1 ZINC000044762635 175246739 /nfs/dbraw/zinc/24/67/39/175246739.db2.gz HAZYITNKKCNTLM-GFCCVEGCSA-N 1 0 261.369 2.168 10 0 CEAERO CC(C)[NH+](CCNC(=O)C1(C(N)=S)CCCC1)C(C)C ZINC000044767784 175250439 /nfs/dbraw/zinc/25/04/39/175250439.db2.gz AFTURCRACSLJRK-UHFFFAOYSA-N 1 0 299.484 2.068 10 0 CEAERO [NH3+]C[C@H](Cc1ccccc1)C(=O)N1CCc2ccccc21 ZINC000044794415 175254860 /nfs/dbraw/zinc/25/48/60/175254860.db2.gz NWKFGQKYNIRYDT-INIZCTEOSA-N 1 0 280.371 2.393 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000044798592 175255090 /nfs/dbraw/zinc/25/50/90/175255090.db2.gz CBVZYIRSPBMYIG-UHFFFAOYSA-N 1 0 291.395 2.269 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000044801505 175255500 /nfs/dbraw/zinc/25/55/00/175255500.db2.gz UZRRKSHJKZEBNN-QWHCGFSZSA-N 1 0 270.417 2.168 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)N1C[C@H](C)OC[C@H]1C ZINC000044801507 175255513 /nfs/dbraw/zinc/25/55/13/175255513.db2.gz UZRRKSHJKZEBNN-OLZOCXBDSA-N 1 0 270.417 2.168 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N[C@H](C)c1cccc(F)c1 ZINC000044806361 175256460 /nfs/dbraw/zinc/25/64/60/175256460.db2.gz OCUAYFWRIXWZQU-ZYHUDNBSSA-N 1 0 252.333 2.378 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)NCC[C@@H]1CCCO1 ZINC000044808366 175257097 /nfs/dbraw/zinc/25/70/97/175257097.db2.gz KINKFOGXNYINEG-ZDUSSCGKSA-N 1 0 270.417 2.217 10 0 CEAERO CO[C@H]1C[NH2+][C@H](c2nc(C3CCC(C)CC3)no2)C1 ZINC000044982929 175283828 /nfs/dbraw/zinc/28/38/28/175283828.db2.gz KZOURDLQIOCJFO-HCWSGVFWSA-N 1 0 265.357 2.413 10 0 CEAERO C[C@H](C[NH2+]CCOCC(F)(F)F)N1CCCCC1 ZINC000044992828 175286928 /nfs/dbraw/zinc/28/69/28/175286928.db2.gz BPXFURBEQQTFRL-LLVKDONJSA-N 1 0 268.323 2.029 10 0 CEAERO C[C@H](CNc1ncccc1C(N)=S)[NH+]1CCCCC1 ZINC000045010040 175289505 /nfs/dbraw/zinc/28/95/05/175289505.db2.gz ZIDCVFOKMOKFBE-LLVKDONJSA-N 1 0 278.425 2.002 10 0 CEAERO C[C@@H](CNC(=O)Nc1cccc(N)c1)[NH+]1CCCCC1 ZINC000045011762 175290115 /nfs/dbraw/zinc/29/01/15/175290115.db2.gz MJXAJKQCBAQGNL-LBPRGKRZSA-N 1 0 276.384 2.265 10 0 CEAERO COCC[C@@H](C)[NH2+][C@@H](CC(=O)OC)c1cccs1 ZINC000045023374 175292559 /nfs/dbraw/zinc/29/25/59/175292559.db2.gz DIRFMWGKSQKCHL-MNOVXSKESA-N 1 0 271.382 2.367 10 0 CEAERO COCC[C@](C)(C[NH3+])N(C)Cc1ccc(F)cc1 ZINC000045043396 175294818 /nfs/dbraw/zinc/29/48/18/175294818.db2.gz DNJVOFDZALOKKX-CQSZACIVSA-N 1 0 254.349 2.011 10 0 CEAERO CC1(NC(=O)[C@@H]2CCCN2C2CC[NH2+]CC2)CCCCC1 ZINC000045046960 175296173 /nfs/dbraw/zinc/29/61/73/175296173.db2.gz NUGPPOWADBAATQ-HNNXBMFYSA-N 1 0 293.455 2.042 10 0 CEAERO CCC[C@@H](C)NC(=O)[C@@H](C)[NH2+]CCOCCC(C)C ZINC000045106865 175308107 /nfs/dbraw/zinc/30/81/07/175308107.db2.gz YDTMAUNRCXAEIY-ZIAGYGMSSA-N 1 0 272.433 2.332 10 0 CEAERO C[NH2+][C@@H](C)c1cccc(S(=O)(=O)N[C@H]2CC2(C)C)c1 ZINC000045138146 175314552 /nfs/dbraw/zinc/31/45/52/175314552.db2.gz VCVGZIUKYQPSCO-GWCFXTLKSA-N 1 0 282.409 2.044 10 0 CEAERO CCn1nc(C)c(-c2c[nH]c([C@@](C)([NH3+])C3CC3)n2)c1C ZINC000045169483 175319833 /nfs/dbraw/zinc/31/98/33/175319833.db2.gz BLYOMONDRMWMCP-HNNXBMFYSA-N 1 0 273.384 2.494 10 0 CEAERO CCn1nc(C)c(-c2c[nH]c(CCC[NH2+]C)n2)c1C ZINC000045169451 175319852 /nfs/dbraw/zinc/31/98/52/175319852.db2.gz LDWNQWXWGJCZKK-UHFFFAOYSA-N 1 0 261.373 2.062 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]C2CCOCC2)c1C ZINC000045169955 175320243 /nfs/dbraw/zinc/32/02/43/175320243.db2.gz XJGWHXBSYLDUEH-JTQLQIEISA-N 1 0 251.374 2.349 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)[NH2+][C@@H]1CCCc2c1cnn2C ZINC000045170826 175320690 /nfs/dbraw/zinc/32/06/90/175320690.db2.gz HGUVGTUFWFTIEE-QMTHXVAHSA-N 1 0 287.411 2.499 10 0 CEAERO CCCN[C@](C)(CC[N@@H+]1CCC[C@@H]1C)C(=O)OCC ZINC000045221777 175330499 /nfs/dbraw/zinc/33/04/99/175330499.db2.gz GEMDSWAKOLFWJE-DZGCQCFKSA-N 1 0 270.417 2.182 10 0 CEAERO COC(=O)[C@](N)(C[NH+]1CCCCCCC1)c1ccccc1 ZINC000045223604 175331455 /nfs/dbraw/zinc/33/14/55/175331455.db2.gz BOBLUQUZTQBUHW-KRWDZBQOSA-N 1 0 290.407 2.280 10 0 CEAERO CCOC(=O)[C@@](C)(CC[NH+]1CCC(C)CC1)NC1CC1 ZINC000045225597 175332588 /nfs/dbraw/zinc/33/25/88/175332588.db2.gz WNHZAAUEZSFTFR-MRXNPFEDSA-N 1 0 282.428 2.182 10 0 CEAERO CCOC(=O)[C@@](C)(CC[NH+]1CCCCC1)NC(C)C ZINC000045230138 175333981 /nfs/dbraw/zinc/33/39/81/175333981.db2.gz ZLIHKZDLKNGOFQ-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CCC[NH+](CCC)C[C@](C)(NC(C)C)C(=O)OCC ZINC000045230357 175334826 /nfs/dbraw/zinc/33/48/26/175334826.db2.gz KNBZMFVWXVKRJX-HNNXBMFYSA-N 1 0 272.433 2.428 10 0 CEAERO CCCN[C@@](C)(C[N@H+]1[C@H](C)CCC[C@@H]1C)C(=O)OC ZINC000045231789 175335494 /nfs/dbraw/zinc/33/54/94/175335494.db2.gz LXFMOCCIWZLESK-GUTXKFCHSA-N 1 0 270.417 2.181 10 0 CEAERO CCOC(=O)[C@](C)(CC[N@H+]1[C@H](C)CCC[C@@H]1C)NC ZINC000045231908 175335625 /nfs/dbraw/zinc/33/56/25/175335625.db2.gz VXZJKTWKOBQCBI-GUTXKFCHSA-N 1 0 270.417 2.181 10 0 CEAERO CCOC(=O)[C@@](C)(CC[N@H+](C)CC(C)C)NC(C)C ZINC000045263708 175337444 /nfs/dbraw/zinc/33/74/44/175337444.db2.gz FJMCSSVKHLRZLN-OAHLLOKOSA-N 1 0 272.433 2.284 10 0 CEAERO CCCN[C@](C)(CC[N@H+](C)CCC)C(=O)OCC ZINC000045264515 175338386 /nfs/dbraw/zinc/33/83/86/175338386.db2.gz UHMPUYIZLNGXFX-CQSZACIVSA-N 1 0 258.406 2.040 10 0 CEAERO CCCN[C@](C)(C[N@H+](CC)C(C)C)C(=O)OCC ZINC000045265528 175338646 /nfs/dbraw/zinc/33/86/46/175338646.db2.gz ZWZWMECYCBNBKV-CQSZACIVSA-N 1 0 258.406 2.038 10 0 CEAERO CCC[NH2+][C@](C)(CC[N@H+](CC)C1CCCC1)C(=O)[O-] ZINC000045269264 175340397 /nfs/dbraw/zinc/34/03/97/175340397.db2.gz DJCWEQIATOWNMX-OAHLLOKOSA-N 1 0 270.417 2.484 10 0 CEAERO CCN[C@](C)(CC[N@H+](CC)C1CCCC1)C(=O)OC ZINC000045269300 175341042 /nfs/dbraw/zinc/34/10/42/175341042.db2.gz KGAMJYSODSUHKU-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CCOC(=O)[C@@](C)(C[N@H+](CC)CC(CC)CC)NC ZINC000045277775 175347334 /nfs/dbraw/zinc/34/73/34/175347334.db2.gz DVYPOYUUTBHXLM-OAHLLOKOSA-N 1 0 272.433 2.286 10 0 CEAERO CCCCC[N@H+](C[C@@](C)(NC)C(=O)OC)C(C)C ZINC000045278554 175348273 /nfs/dbraw/zinc/34/82/73/175348273.db2.gz MCGKYYSKOZWZAA-CQSZACIVSA-N 1 0 258.406 2.038 10 0 CEAERO CCCCC[N@H+](CC[C@@](C)(NCC)C(N)=O)C(C)C ZINC000045278641 175349550 /nfs/dbraw/zinc/34/95/50/175349550.db2.gz NXYWAPIWSLYZAT-OAHLLOKOSA-N 1 0 271.449 2.131 10 0 CEAERO COC(=O)[C@](C)(CC[N@H+](C)[C@@H](C)CC(C)C)NC1CC1 ZINC000045280043 175350513 /nfs/dbraw/zinc/35/05/13/175350513.db2.gz YSYVCWIZTDGSHP-BBRMVZONSA-N 1 0 284.444 2.427 10 0 CEAERO COC(=O)[C@](C)(CC[N@H+](CC1CC1)C(C)C)NC(C)C ZINC000045281055 175350758 /nfs/dbraw/zinc/35/07/58/175350758.db2.gz LUZIJXUZWRZRRQ-INIZCTEOSA-N 1 0 284.444 2.427 10 0 CEAERO CCN[C@](C)(C[NH+]1CCC(CC)CC1)C(=O)OCC ZINC000045281381 175351840 /nfs/dbraw/zinc/35/18/40/175351840.db2.gz UZKIFBQKXRPQQO-OAHLLOKOSA-N 1 0 270.417 2.040 10 0 CEAERO CCOC(=O)[C@](C)(C[N@H+](C)CCC(C)C)NC(C)C ZINC000045281245 175352050 /nfs/dbraw/zinc/35/20/50/175352050.db2.gz UGXKXDUSBOTCOM-HNNXBMFYSA-N 1 0 272.433 2.284 10 0 CEAERO CCCC[N@H+](C[C@@](C)(NC)C(=O)OCC)[C@@H](C)CC ZINC000045282536 175352529 /nfs/dbraw/zinc/35/25/29/175352529.db2.gz GMGFEKRLGARPFO-DZGCQCFKSA-N 1 0 272.433 2.428 10 0 CEAERO CCCN[C@@](C)(CC[NH+]1CCC(CC)CC1)C(=O)OC ZINC000045281457 175352558 /nfs/dbraw/zinc/35/25/58/175352558.db2.gz AHVFGOQIMWWIIB-INIZCTEOSA-N 1 0 284.444 2.430 10 0 CEAERO CCN[C@@](C)(C[N@H+](C)CC1CCCCC1)C(=O)OCC ZINC000045281560 175352773 /nfs/dbraw/zinc/35/27/73/175352773.db2.gz KQDSHZYTGDJJRF-INIZCTEOSA-N 1 0 284.444 2.430 10 0 CEAERO CCCC[N@H+](CC[C@](C)(N)C(=O)OC)[C@@H](C)CC ZINC000045282619 175353132 /nfs/dbraw/zinc/35/31/32/175353132.db2.gz OILOKAPRDHTHDF-JSGCOSHPSA-N 1 0 258.406 2.168 10 0 CEAERO CCCC[N@H+](C)CCC[C@@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045368319 175362915 /nfs/dbraw/zinc/36/29/15/175362915.db2.gz ADBZVRQYDIFPPL-CQSZACIVSA-N 1 0 258.406 2.340 10 0 CEAERO CCCC[N@H+](C)CCC[C@](C)(NC1CC1)C(=O)OC ZINC000045368416 175363699 /nfs/dbraw/zinc/36/36/99/175363699.db2.gz LZJMCGNAUPOXRB-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CC[NH2+][C@](C)(CCCCN1CCc2ccccc21)C(N)=O ZINC000045372751 175365048 /nfs/dbraw/zinc/36/50/48/175365048.db2.gz DDZYCDRLUMEWLY-QGZVFWFLSA-N 1 0 289.423 2.073 10 0 CEAERO CCCN[C@@](C)(CCC[NH+]1CCC(C)CC1)C(=O)OC ZINC000045374984 175365460 /nfs/dbraw/zinc/36/54/60/175365460.db2.gz TZTKSEAGMMKFHG-INIZCTEOSA-N 1 0 284.444 2.430 10 0 CEAERO COC(=O)[C@](C)(CCC[NH+]1CCC(C)CC1)NC1CC1 ZINC000045375028 175365550 /nfs/dbraw/zinc/36/55/50/175365550.db2.gz WYUWCTQOMMYUFD-INIZCTEOSA-N 1 0 282.428 2.182 10 0 CEAERO CCC[NH2+][C@@](C)(CCC[NH+]1CCCCC1)C(=O)[O-] ZINC000045378304 175367406 /nfs/dbraw/zinc/36/74/06/175367406.db2.gz ARRVXLVGMGENGI-AWEZNQCLSA-N 1 0 256.390 2.095 10 0 CEAERO CCN(CCCC[C@@](C)([NH2+]C)C(N)=O)c1ccccc1 ZINC000045379890 175369255 /nfs/dbraw/zinc/36/92/55/175369255.db2.gz SCKSYJHAYNJWJX-MRXNPFEDSA-N 1 0 277.412 2.147 10 0 CEAERO CC[NH2+][C@](C)(CCCC[N@H+](CC)C1CC1)C(=O)[O-] ZINC000045386295 175372116 /nfs/dbraw/zinc/37/21/16/175372116.db2.gz CHFYWDKNNVTKIM-CQSZACIVSA-N 1 0 256.390 2.094 10 0 CEAERO CCC[N@H+](CCCC[C@](C)([NH2+]C)C(=O)[O-])C(C)C ZINC000045385766 175372503 /nfs/dbraw/zinc/37/25/03/175372503.db2.gz HFIMRUCSRQBKED-AWEZNQCLSA-N 1 0 258.406 2.340 10 0 CEAERO CCC[NH2+][C@](C)(CCC[N@H+](C)C1CCCC1)C(=O)[O-] ZINC000045384784 175372506 /nfs/dbraw/zinc/37/25/06/175372506.db2.gz CAOZEFHFJPNBBU-OAHLLOKOSA-N 1 0 270.417 2.484 10 0 CEAERO CCC[N@H+](CCC[C@](C)(NCC)C(=O)OC)C1CC1 ZINC000045387595 175372782 /nfs/dbraw/zinc/37/27/82/175372782.db2.gz BUFFXRJBXFLWGO-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CCC[N@H+](CC)CCCC[C@](C)([NH2+]CC)C(=O)[O-] ZINC000045386827 175373239 /nfs/dbraw/zinc/37/32/39/175373239.db2.gz BBAQJYRLEIFXIJ-AWEZNQCLSA-N 1 0 258.406 2.341 10 0 CEAERO CCN[C@](C)(CCC[N@H+](C)CC1CC1)C(=O)OCC ZINC000045419964 175377855 /nfs/dbraw/zinc/37/78/55/175377855.db2.gz QKXIADJXMRIGSD-OAHLLOKOSA-N 1 0 270.417 2.040 10 0 CEAERO CCOC(=O)[C@@H](C[N@H+](C)[C@@H](C)C(C)(C)C)NC(C)C ZINC000045420961 175379833 /nfs/dbraw/zinc/37/98/33/175379833.db2.gz KIPYVNQUKFCFTL-QWHCGFSZSA-N 1 0 272.433 2.283 10 0 CEAERO C[C@H](CO)[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[C@@H](O)C1 ZINC000661444913 415268048 /nfs/dbraw/zinc/26/80/48/415268048.db2.gz XXHKDRWCWGWTIQ-BARDWOONSA-N 1 0 255.402 2.020 10 0 CEAERO CN1C[C@H](C[NH2+][C@@H]2CCCC[C@H]2C2CC2)CC1=O ZINC000658239772 415272274 /nfs/dbraw/zinc/27/22/74/415272274.db2.gz NTFPFOYQLGNWRF-FPMFFAJLSA-N 1 0 250.386 2.023 10 0 CEAERO C[C@H](CCCC(F)(F)F)[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000658240362 415272941 /nfs/dbraw/zinc/27/29/41/415272941.db2.gz QWHYTQMKHGZMTJ-NXEZZACHSA-N 1 0 266.307 2.175 10 0 CEAERO CN1C[C@@H](C[NH2+]C2CC(c3ccccc3F)C2)CC1=O ZINC000658241287 415273094 /nfs/dbraw/zinc/27/30/94/415273094.db2.gz VYAHIDSUTDFMCW-PNESKVBLSA-N 1 0 276.355 2.140 10 0 CEAERO CN1C[C@H](C[NH2+]C2CC(c3ccccc3F)C2)CC1=O ZINC000658241283 415274101 /nfs/dbraw/zinc/27/41/01/415274101.db2.gz VYAHIDSUTDFMCW-HIFPTAJRSA-N 1 0 276.355 2.140 10 0 CEAERO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)CC2 ZINC000658243463 415278660 /nfs/dbraw/zinc/27/86/60/415278660.db2.gz DJTLNLISLJBZBZ-DOMZBBRYSA-N 1 0 258.365 2.050 10 0 CEAERO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC(=O)N(C)C2)cc1C ZINC000658245328 415280381 /nfs/dbraw/zinc/28/03/81/415280381.db2.gz RJDLSQYLDVCDHV-ZIAGYGMSSA-N 1 0 260.381 2.432 10 0 CEAERO Cc1ccsc1[C@H](C)[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000658245773 415280488 /nfs/dbraw/zinc/28/04/88/415280488.db2.gz VFWRHLYIAFNEEA-WDEREUQCSA-N 1 0 252.383 2.185 10 0 CEAERO COc1ccc([C@H]2CC[NH2+][C@H]2C)c(OC)c1OC ZINC000051954112 175528837 /nfs/dbraw/zinc/52/88/37/175528837.db2.gz KKYQGNHYBMCSBW-UWVGGRQHSA-N 1 0 251.326 2.178 10 0 CEAERO Cc1[nH]c2ccccc2c1C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655517143 415321910 /nfs/dbraw/zinc/32/19/10/415321910.db2.gz AMFPAPXATPNEJY-SNVBAGLBSA-N 1 0 285.269 2.096 10 0 CEAERO CC(=O)Nc1cccc([C@H](C)[NH2+]C2CC(CO)C2)c1 ZINC000658351902 415333604 /nfs/dbraw/zinc/33/36/04/415333604.db2.gz QLYXBZSRGIBZCE-VLRKGOCCSA-N 1 0 262.353 2.067 10 0 CEAERO CCCCOC[C@H](O)C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000661688330 415403106 /nfs/dbraw/zinc/40/31/06/415403106.db2.gz FRUIHFVEPZJBTM-UONOGXRCSA-N 1 0 261.381 2.236 10 0 CEAERO CO[C@H](CNC(=O)[C@H]1CCC[NH2+][C@@H]1C)C1CCCCC1 ZINC000659385161 415555277 /nfs/dbraw/zinc/55/52/77/415555277.db2.gz VTQATTZKDBJECR-VHDGCEQUSA-N 1 0 282.428 2.086 10 0 CEAERO CCCCCC[NH2+][C@H](C)C(=O)NCc1ccco1 ZINC000070192518 175881433 /nfs/dbraw/zinc/88/14/33/175881433.db2.gz UUGBZFHMACLZEE-GFCCVEGCSA-N 1 0 252.358 2.454 10 0 CEAERO CCN(CC)C(=O)CC[NH2+][C@@H]1CCO[C@@](C)(CC)C1 ZINC000070357251 175888214 /nfs/dbraw/zinc/88/82/14/175888214.db2.gz WKZFIWDFBSLGHT-HIFRSBDPSA-N 1 0 270.417 2.182 10 0 CEAERO CCC[C@H]1C[C@](CN)([N@H+](C)C[C@@H]2C[C@@H]2C)CCO1 ZINC000070366708 175897072 /nfs/dbraw/zinc/89/70/72/175897072.db2.gz UQTOZQPNAZXMHK-ZQDZILKHSA-N 1 0 254.418 2.251 10 0 CEAERO COc1ccc([C@H](O)C[NH2+]C(C)C)c(Cl)c1OC ZINC000070374349 175899476 /nfs/dbraw/zinc/89/94/76/175899476.db2.gz OKTBZJZPMLPZSM-SNVBAGLBSA-N 1 0 273.760 2.389 10 0 CEAERO Nc1cc[nH+]cc1C[C@H](O)c1ccc2ncccc2c1 ZINC000070400378 175910654 /nfs/dbraw/zinc/91/06/54/175910654.db2.gz JZAKCRNGUYAERA-INIZCTEOSA-N 1 0 265.316 2.488 10 0 CEAERO C[C@H]([NH2+][C@H]1CCC[C@@H]1n1ccnc1)c1nccn1C ZINC000070444664 175936593 /nfs/dbraw/zinc/93/65/93/175936593.db2.gz IWYQGIVRJJZCNR-AVGNSLFASA-N 1 0 259.357 2.061 10 0 CEAERO CCc1ccc(-c2cc(N3CC[C@@H]([NH3+])C3)n[nH]2)cc1 ZINC000070460184 175942406 /nfs/dbraw/zinc/94/24/06/175942406.db2.gz ZJEYUPCMVWDMPG-CYBMUJFWSA-N 1 0 256.353 2.177 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1ccccn1)n1cc(C(F)(F)F)cn1 ZINC000070466026 175946270 /nfs/dbraw/zinc/94/62/70/175946270.db2.gz DRORVPBSIRWRMK-KCJUWKMLSA-N 1 0 270.258 2.234 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc(C)ccc1OCCOCCOC ZINC000070482727 175953589 /nfs/dbraw/zinc/95/35/89/175953589.db2.gz NCCNIMHNTYTUSQ-OAHLLOKOSA-N 1 0 281.396 2.317 10 0 CEAERO CCC[NH2+][C@@](C)(CO)CCOc1cccc(N(C)C)c1 ZINC000070516802 175965645 /nfs/dbraw/zinc/96/56/45/175965645.db2.gz XXDANKCOAQPZJT-MRXNPFEDSA-N 1 0 280.412 2.272 10 0 CEAERO COc1cccc(O[C@@H](C)C[C@](C)(CO)[NH2+]C2CC2)c1 ZINC000070518503 175965932 /nfs/dbraw/zinc/96/59/32/175965932.db2.gz RIGWTSUCLSISJR-BLLLJJGKSA-N 1 0 279.380 2.356 10 0 CEAERO CC[NH2+][C@@](CO)(COc1ccc(C)cc1OC)C1CC1 ZINC000070519161 175965937 /nfs/dbraw/zinc/96/59/37/175965937.db2.gz GCRIPBFWMKFPNC-INIZCTEOSA-N 1 0 279.380 2.133 10 0 CEAERO CCC[C@@]1(C(=O)N[C@@H]2COc3ccccc32)CCC[NH2+]C1 ZINC000070530704 175973304 /nfs/dbraw/zinc/97/33/04/175973304.db2.gz OHAQFOZAGNTXSP-RHSMWYFYSA-N 1 0 288.391 2.406 10 0 CEAERO COCCN(C(=O)c1ccccc1CC[NH3+])[C@@H](C)C1CC1 ZINC000070552293 175981454 /nfs/dbraw/zinc/98/14/54/175981454.db2.gz BNVFQIOSNNPTOP-ZDUSSCGKSA-N 1 0 290.407 2.075 10 0 CEAERO COc1ccccc1[C@@H](C)NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000070577609 175992870 /nfs/dbraw/zinc/99/28/70/175992870.db2.gz XCDMMRUNXXNPDS-UPJWGTAASA-N 1 0 276.380 2.390 10 0 CEAERO CC[NH2+]Cc1csc(N2CCSC[C@H]2C)n1 ZINC000070682448 176001338 /nfs/dbraw/zinc/00/13/38/176001338.db2.gz VPDPISCGTOBYQH-SECBINFHSA-N 1 0 257.428 2.194 10 0 CEAERO C[NH2+]Cc1ccnn1Cc1cc(Br)cs1 ZINC000070708834 176002950 /nfs/dbraw/zinc/00/29/50/176002950.db2.gz YXUCJLXWKFXZSI-UHFFFAOYSA-N 1 0 286.198 2.475 10 0 CEAERO CC[C@@](C)([NH3+])COc1ncccc1Br ZINC000070880404 176010037 /nfs/dbraw/zinc/01/00/37/176010037.db2.gz CTHNPLWFIKXPEI-SNVBAGLBSA-N 1 0 259.147 2.350 10 0 CEAERO [NH3+]CCN(C(=O)C1(c2ccccc2)CC1)C1CCCC1 ZINC000070943576 176016713 /nfs/dbraw/zinc/01/67/13/176016713.db2.gz XMNURGBLDSKOSD-UHFFFAOYSA-N 1 0 272.392 2.448 10 0 CEAERO [NH3+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000070987093 176018488 /nfs/dbraw/zinc/01/84/88/176018488.db2.gz FDMUXUXCCHZUQM-RISCZKNCSA-N 1 0 284.281 2.257 10 0 CEAERO CC(C)[NH2+][C@H]1CCN(CC2CCC(C)CC2)C1=O ZINC000071031307 176022538 /nfs/dbraw/zinc/02/25/38/176022538.db2.gz ZNULXQOBXFDHLR-RUXDESIVSA-N 1 0 252.402 2.412 10 0 CEAERO CC[NH2+][C@@H]1CCCN([C@@H]2C[C@@H]2c2ccccc2)C1=O ZINC000071031699 176022868 /nfs/dbraw/zinc/02/28/68/176022868.db2.gz PFLKCKYRTUXKRV-RBSFLKMASA-N 1 0 258.365 2.143 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCCN1CCc1ccsc1 ZINC000071032287 176023725 /nfs/dbraw/zinc/02/37/25/176023725.db2.gz OMIMSLQNMHGGGG-ZDUSSCGKSA-N 1 0 264.394 2.034 10 0 CEAERO Cc1ccccc1[C@@H](C)N1CC[C@H]([NH2+]C2CC2)C1=O ZINC000071036946 176026115 /nfs/dbraw/zinc/02/61/15/176026115.db2.gz ZNRASNPQXYLETO-DOMZBBRYSA-N 1 0 258.365 2.409 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCCN1CCC1CCCC1 ZINC000071041397 176028079 /nfs/dbraw/zinc/02/80/79/176028079.db2.gz MNDGBEQNSBLGAU-AWEZNQCLSA-N 1 0 250.386 2.310 10 0 CEAERO CCC[NH2+][C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000071042050 176028585 /nfs/dbraw/zinc/02/85/85/176028585.db2.gz OMQIIMNFRHSMGL-AWEZNQCLSA-N 1 0 282.334 2.455 10 0 CEAERO CCN(C[C@@H]1OCCc2ccccc21)C(C)(C)C[NH3+] ZINC000071044820 176029905 /nfs/dbraw/zinc/02/99/05/176029905.db2.gz XPQXIOJAILWPMT-HNNXBMFYSA-N 1 0 262.397 2.360 10 0 CEAERO CN(C[C@H]1OCCc2ccccc21)c1cc[nH+]cc1N ZINC000071091666 176031807 /nfs/dbraw/zinc/03/18/07/176031807.db2.gz LHMWBWKXGJTXBJ-MRXNPFEDSA-N 1 0 269.348 2.414 10 0 CEAERO CCN(C[C@H]1OCCc2ccccc21)C1CC[NH2+]CC1 ZINC000071092163 176031896 /nfs/dbraw/zinc/03/18/96/176031896.db2.gz WYFNTZYWWBUIOY-QGZVFWFLSA-N 1 0 274.408 2.374 10 0 CEAERO NC(=S)CC[N@H+](C[C@H]1OCCc2ccccc21)C1CC1 ZINC000071091329 176031928 /nfs/dbraw/zinc/03/19/28/176031928.db2.gz NBPWWMYFSSHIAI-OAHLLOKOSA-N 1 0 290.432 2.441 10 0 CEAERO c1ccc2c(c1)CCO[C@@H]2COC[C@H]1CCCC[NH2+]1 ZINC000071091883 176032313 /nfs/dbraw/zinc/03/23/13/176032313.db2.gz DPZMIWFFBVXMGJ-GDBMZVCRSA-N 1 0 261.365 2.459 10 0 CEAERO CCC[C@H](C)[C@H]([NH3+])c1ccc2c(c1)C(=O)N(C)C(=O)C2 ZINC000071139398 176038150 /nfs/dbraw/zinc/03/81/50/176038150.db2.gz KZASRWSCBYCAKP-BONVTDFDSA-N 1 0 274.364 2.277 10 0 CEAERO C[NH2+]C[C@H]1CCN(Cc2ccc(O)c(Cl)c2)C1 ZINC000071142625 176040424 /nfs/dbraw/zinc/04/04/24/176040424.db2.gz LGVDPWIOSZOAJK-LLVKDONJSA-N 1 0 254.761 2.087 10 0 CEAERO C[NH2+]Cc1ccc(Oc2cc(F)ccc2F)nn1 ZINC000071168669 176049742 /nfs/dbraw/zinc/04/97/42/176049742.db2.gz IVVLLHKMNUDUOK-UHFFFAOYSA-N 1 0 251.236 2.267 10 0 CEAERO COc1ccc(C[C@](C)(C[NH3+])N2CCOC(C)(C)C2)cc1 ZINC000071169145 176049872 /nfs/dbraw/zinc/04/98/72/176049872.db2.gz JYDXLOMTYHPJCY-QGZVFWFLSA-N 1 0 292.423 2.066 10 0 CEAERO CCCOc1cncc(N(CCC[NH3+])C2CCCC2)n1 ZINC000071175759 176054551 /nfs/dbraw/zinc/05/45/51/176054551.db2.gz YNGFJKJZLAOYMF-UHFFFAOYSA-N 1 0 278.400 2.363 10 0 CEAERO CCOc1cncc(N(C)c2ccc(C[NH3+])cc2)n1 ZINC000071175864 176054606 /nfs/dbraw/zinc/05/46/06/176054606.db2.gz RBNIAKBACOMHPB-UHFFFAOYSA-N 1 0 258.325 2.102 10 0 CEAERO CCCOc1cncc(NC[C@H]([NH3+])c2ccccc2)n1 ZINC000071176117 176055004 /nfs/dbraw/zinc/05/50/04/176055004.db2.gz NQLWGRQHVICTSK-ZDUSSCGKSA-N 1 0 272.352 2.377 10 0 CEAERO [NH3+]Cc1cnc(Sc2nc3ccccc3o2)cn1 ZINC000071178545 176055686 /nfs/dbraw/zinc/05/56/86/176055686.db2.gz WBSDFIVVRYELDE-UHFFFAOYSA-N 1 0 258.306 2.228 10 0 CEAERO CCC[NH2+][C@H](C)c1ccc(O[C@@H]2CCN(C)C2=O)cc1 ZINC000071182901 176057986 /nfs/dbraw/zinc/05/79/86/176057986.db2.gz PLQWUFURRWHGBS-IUODEOHRSA-N 1 0 276.380 2.357 10 0 CEAERO CCC[NH2+][C@H](C)c1ccc(F)cc1O[C@H]1CCN(C)C1=O ZINC000071183195 176058535 /nfs/dbraw/zinc/05/85/35/176058535.db2.gz QFQJNEOOCKAPMB-RISCZKNCSA-N 1 0 294.370 2.496 10 0 CEAERO CN(C[C@H]1CC[N@H+](C)C1)c1cc(Cl)ccc1C[NH3+] ZINC000071187586 176060655 /nfs/dbraw/zinc/06/06/55/176060655.db2.gz SIGOKDQGECMENF-NSHDSACASA-N 1 0 267.804 2.187 10 0 CEAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cc2cc(N)ccc2o1 ZINC000071187717 176062146 /nfs/dbraw/zinc/06/21/46/176062146.db2.gz OUGLOTOHQJVMNV-LLVKDONJSA-N 1 0 287.363 2.039 10 0 CEAERO Cc1ccc(C(N)=S)c(N(C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000071190373 176066916 /nfs/dbraw/zinc/06/69/16/176066916.db2.gz ANKJBVJEMOUWKZ-GFCCVEGCSA-N 1 0 277.437 2.017 10 0 CEAERO Cc1ccc([C@@H](O)CN(C)C[C@@H]2CC[N@H+](C)C2)c(C)c1 ZINC000071190694 176067324 /nfs/dbraw/zinc/06/73/24/176067324.db2.gz VMXZEQDYKMDDTJ-WBVHZDCISA-N 1 0 276.424 2.220 10 0 CEAERO CN(C[C@H]1CC[N@H+](C)C1)c1nc(C(C)(C)C)c(CO)s1 ZINC000071192646 176074536 /nfs/dbraw/zinc/07/45/36/176074536.db2.gz JLWDCTYJYZVBEU-NSHDSACASA-N 1 0 297.468 2.321 10 0 CEAERO COc1ccc(CCN2CC[C@H]([NH2+]C(C)C)C2)cc1 ZINC000071197902 176076588 /nfs/dbraw/zinc/07/65/88/176076588.db2.gz JDGXNPLFEYVBBC-HNNXBMFYSA-N 1 0 262.397 2.310 10 0 CEAERO c1cc(CN2CCC[C@H]([NH2+]C3CC3)C2)cc2c1OCO2 ZINC000071199693 176077115 /nfs/dbraw/zinc/07/71/15/176077115.db2.gz 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1 0 270.417 2.138 10 0 CEAERO CC[NH2+]Cc1nccn1CCCCCC(=O)OCC ZINC000071297843 176112635 /nfs/dbraw/zinc/11/26/35/176112635.db2.gz CHBBLIDISUFGJQ-UHFFFAOYSA-N 1 0 267.373 2.116 10 0 CEAERO COc1ccc([C@@H](C)[NH2+]C[C@@H](O)C2CC2)cc1OC ZINC000071299970 176113075 /nfs/dbraw/zinc/11/30/75/176113075.db2.gz ADHZURGQTDPZQJ-ZWNOBZJWSA-N 1 0 265.353 2.125 10 0 CEAERO c1ccc2c(c1)C[C@H](CNC1=[NH+]C[C@@H](C3CC3)S1)O2 ZINC000071307913 176116333 /nfs/dbraw/zinc/11/63/33/176116333.db2.gz NEQJHVKHBUOITL-OCCSQVGLSA-N 1 0 274.389 2.461 10 0 CEAERO CCN(C(=O)Cc1ccc(Cl)cc1)[C@H]1CC[NH2+]C1 ZINC000071312619 176119247 /nfs/dbraw/zinc/11/92/47/176119247.db2.gz AYZUIXIOGDZSHM-ZDUSSCGKSA-N 1 0 266.772 2.093 10 0 CEAERO Cn1nccc1C[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000071333673 176126653 /nfs/dbraw/zinc/12/66/53/176126653.db2.gz GSYGNRTWLNMIHR-OAHLLOKOSA-N 1 0 257.337 2.293 10 0 CEAERO C[C@H](CNC1CN(C(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC000071335829 176127538 /nfs/dbraw/zinc/12/75/38/176127538.db2.gz YPZMAUDCOFSIAT-CYBMUJFWSA-N 1 0 297.443 2.070 10 0 CEAERO C[C@@H]1CCC[NH2+][C@H]1CNC(=O)c1ccc(F)c(F)c1 ZINC000071338658 176129089 /nfs/dbraw/zinc/12/90/89/176129089.db2.gz WQVJZZWYMPSOPX-RNCFNFMXSA-N 1 0 268.307 2.083 10 0 CEAERO COc1cccc(CN2CC(C)(C)[NH2+]C[C@@H]2C(C)C)n1 ZINC000071342455 176130561 /nfs/dbraw/zinc/13/05/61/176130561.db2.gz DSHCDXOUMOROJK-CQSZACIVSA-N 1 0 277.412 2.299 10 0 CEAERO CC[C@]1(C)C[NH2+][C@@H](C(C)(C)C)CN1Cc1ncccn1 ZINC000071348537 176132408 /nfs/dbraw/zinc/13/24/08/176132408.db2.gz LCDJSJOONNRJIX-CZUORRHYSA-N 1 0 276.428 2.465 10 0 CEAERO CC(C)C[C@@H]1CN(Cc2ncccn2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000071352291 176134972 /nfs/dbraw/zinc/13/49/72/176134972.db2.gz MWSWRIHIBURACJ-NVXWUHKLSA-N 1 0 288.439 2.465 10 0 CEAERO C[N@H+](CCCn1ccc(N)n1)Cc1ccc(F)cc1 ZINC000071352039 176135032 /nfs/dbraw/zinc/13/50/32/176135032.db2.gz ZFGFXTIJQJQXGE-UHFFFAOYSA-N 1 0 262.332 2.127 10 0 CEAERO CC[C@H]1CN[C@H](Cc2ccccc2)C[N@@H+]1CCCOC ZINC000071352705 176135369 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10 0 CEAERO C[NH2+][C@@H]1CCN(C(=O)OCc2ccccc2)[C@H](C)C1 ZINC000073657063 176483848 /nfs/dbraw/zinc/48/38/48/176483848.db2.gz OULNFTUDKFNUBC-TZMCWYRMSA-N 1 0 262.353 2.396 10 0 CEAERO c1[nH]c2c(ncnc2N[C@@H]2CC[NH2+]C2)c1-c1ccccc1 ZINC000073737742 176489731 /nfs/dbraw/zinc/48/97/31/176489731.db2.gz VJJQJWBKZCISHF-GFCCVEGCSA-N 1 0 279.347 2.399 10 0 CEAERO C[C@]1(C(=O)N2CCC[C@@H](CCF)C2)CCCC[NH2+]1 ZINC000662689750 415931371 /nfs/dbraw/zinc/93/13/71/415931371.db2.gz XGIAHTXKNFJWAL-GXTWGEPZSA-N 1 0 256.365 2.117 10 0 CEAERO C[C@@H]1C[C@@H]1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000076056858 176894348 /nfs/dbraw/zinc/89/43/48/176894348.db2.gz VEBKXOJQGZNHAE-CJNGLKHVSA-N 1 0 287.407 2.490 10 0 CEAERO C[NH2+]CCC(=O)N[C@@H](C)c1cc(C)c(C)cc1OC ZINC000076369142 177006435 /nfs/dbraw/zinc/00/64/35/177006435.db2.gz UBGQPJICSXAPNS-LBPRGKRZSA-N 1 0 264.369 2.099 10 0 CEAERO C[NH2+]CCN(C)CCc1cccc(Br)c1 ZINC000076409610 177020061 /nfs/dbraw/zinc/02/00/61/177020061.db2.gz YQDCRAPNUJDBSK-UHFFFAOYSA-N 1 0 271.202 2.143 10 0 CEAERO Cc1ccccc1CN(CC[NH3+])Cc1ccccn1 ZINC000076660925 177048685 /nfs/dbraw/zinc/04/86/85/177048685.db2.gz OXJUKMOPNOAOOZ-UHFFFAOYSA-N 1 0 255.365 2.351 10 0 CEAERO C[C@@H]1COC[C@]2(CCCN(Cc3ccccc3)C2)[NH2+]1 ZINC000076698217 177061422 /nfs/dbraw/zinc/06/14/22/177061422.db2.gz IVHHEJJAJCUDFZ-GDBMZVCRSA-N 1 0 260.381 2.030 10 0 CEAERO C[C@H]1COC[C@H](C)[NH+]1CCCOc1ccc2c(c1)OCO2 ZINC000077366945 177258574 /nfs/dbraw/zinc/25/85/74/177258574.db2.gz AHRIAOOAFZOEGJ-STQMWFEESA-N 1 0 293.363 2.293 10 0 CEAERO C[C@H](CC[NH3+])CCC(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000079117294 177435917 /nfs/dbraw/zinc/43/59/17/177435917.db2.gz AHJJMDMMGXREOB-NSHDSACASA-N 1 0 289.379 2.275 10 0 CEAERO CC[C@@H](CC[NH3+])CCC(=O)N(C)Cc1cccnc1 ZINC000079208034 177446599 /nfs/dbraw/zinc/44/65/99/177446599.db2.gz GHBKNQWKMVETPN-CYBMUJFWSA-N 1 0 263.385 2.195 10 0 CEAERO CCC[C@@H]1CCC(=O)N(C[C@H]2CCC[NH2+]C2)CC1 ZINC000079227645 177451146 /nfs/dbraw/zinc/45/11/46/177451146.db2.gz UMNCJMOPQSJOAO-KGLIPLIRSA-N 1 0 252.402 2.415 10 0 CEAERO CCC[C@@H](CC[NH3+])CCC(=O)NCC[C@@H]1CCCO1 ZINC000079239088 177453602 /nfs/dbraw/zinc/45/36/02/177453602.db2.gz UBNCPRAADWZBJS-KGLIPLIRSA-N 1 0 270.417 2.217 10 0 CEAERO CCC[C@H](CC[NH3+])CCC(=O)Nc1sccc1C(N)=O ZINC000079240238 177454128 /nfs/dbraw/zinc/45/41/28/177454128.db2.gz VQJWFPKJYPGBPO-JTQLQIEISA-N 1 0 297.424 2.331 10 0 CEAERO CC[C@@H]1CCCN(c2c(C[NH2+]C)c(C)nn2C)CC1 ZINC000079357044 177471167 /nfs/dbraw/zinc/47/11/67/177471167.db2.gz WGTYDXJMVSRVOD-CYBMUJFWSA-N 1 0 264.417 2.464 10 0 CEAERO C[C@]1(C(=O)Nc2cccc3ncccc32)CCC[NH2+]1 ZINC000079510339 177510138 /nfs/dbraw/zinc/51/01/38/177510138.db2.gz WQNYZQOOWMSYPX-OAHLLOKOSA-N 1 0 255.321 2.315 10 0 CEAERO C[C@]1(C(=O)Nc2cccc(Cn3ccnc3)c2)CCC[NH2+]1 ZINC000079512493 177510945 /nfs/dbraw/zinc/51/09/45/177510945.db2.gz KOFUBGMEQRVTJC-MRXNPFEDSA-N 1 0 284.363 2.012 10 0 CEAERO COc1ccc([C@H](C)NC(=O)[C@@]2(C)CCC[NH2+]2)c(OC)c1 ZINC000079513021 177511130 /nfs/dbraw/zinc/51/11/30/177511130.db2.gz MIQLJJOLJWZGKA-MEDUHNTESA-N 1 0 292.379 2.023 10 0 CEAERO CC[C@@H](NC(=O)[C@@]1(C)CCC[NH2+]1)c1ccc(OC)cc1 ZINC000079514971 177511277 /nfs/dbraw/zinc/51/12/77/177511277.db2.gz NZWGSGVMEPMAPH-GDBMZVCRSA-N 1 0 276.380 2.405 10 0 CEAERO C[C@@H](CCc1ccccc1)NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+] ZINC000079533097 177516529 /nfs/dbraw/zinc/51/65/29/177516529.db2.gz BEVVTRPMTHAZFN-OBCVZTRHSA-N 1 0 286.419 2.497 10 0 CEAERO CCC[C@H](COC)[NH2+]C[C@@H](O)c1ccc(F)c(F)c1 ZINC000079743986 177549715 /nfs/dbraw/zinc/54/97/15/177549715.db2.gz UWRFFQPIJCGXFW-BXUZGUMPSA-N 1 0 273.323 2.403 10 0 CEAERO CCC[C@@H](COC)NC(=O)CC[C@H](CC)CC[NH3+] ZINC000079748872 177551494 /nfs/dbraw/zinc/55/14/94/177551494.db2.gz YIFZNMVOAJWWDH-STQMWFEESA-N 1 0 258.406 2.073 10 0 CEAERO NC(=[NH2+])[C@H]1CCCN(Cc2cccc(Cl)c2)C1 ZINC000079838624 177567600 /nfs/dbraw/zinc/56/76/00/177567600.db2.gz UTLMBWOXSIQWGO-NSHDSACASA-N 1 0 251.761 2.488 10 0 CEAERO COc1ccc([C@H]2OCCC[C@@H]2C[NH3+])c(OC)c1 ZINC000079898772 177578254 /nfs/dbraw/zinc/57/82/54/177578254.db2.gz VCZTZXIZRWOJHB-YGRLFVJLSA-N 1 0 251.326 2.130 10 0 CEAERO C[C@@H]([NH3+])c1cccc(NS(=O)(=O)CC(C)(C)C)c1 ZINC000080189122 177622187 /nfs/dbraw/zinc/62/21/87/177622187.db2.gz FVFHVWZPPICZJS-SNVBAGLBSA-N 1 0 270.398 2.494 10 0 CEAERO C[C@@H]1CCCN(c2nc(C(F)(F)F)ns2)[C@@H]1C[NH3+] ZINC000228790305 287361157 /nfs/dbraw/zinc/36/11/57/287361157.db2.gz QPTJSFCHGCXTBS-RNFRBKRXSA-N 1 0 280.319 2.121 10 0 CEAERO Cc1cc(C(C)C)nc(N2CCC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000122220748 419426028 /nfs/dbraw/zinc/42/60/28/419426028.db2.gz HWUCXFAFVWQETQ-OLZOCXBDSA-N 1 0 262.401 2.472 10 0 CEAERO COc1ccc(F)cc1[C@H](C)NC(=O)C[C@H]([NH3+])C(C)C ZINC000136358215 419444023 /nfs/dbraw/zinc/44/40/23/419444023.db2.gz UWNDXGDTZXADAW-GWCFXTLKSA-N 1 0 282.359 2.385 10 0 CEAERO Cc1cccc(N2CCN(C(=O)C[C@H]([NH3+])C(C)C)CC2)c1 ZINC000136300617 419444679 /nfs/dbraw/zinc/44/46/79/419444679.db2.gz BRZSIUJSRSVTOX-INIZCTEOSA-N 1 0 289.423 2.017 10 0 CEAERO COc1ccc(OC)c([C@H](C)NC(=O)C[C@H]([NH3+])C(C)C)c1 ZINC000136348705 419444733 /nfs/dbraw/zinc/44/47/33/419444733.db2.gz BXRDQSLCFCERLI-FZMZJTMJSA-N 1 0 294.395 2.254 10 0 CEAERO COc1cc(C)ccc1NC(=O)C[C@H]([NH3+])C(C)C ZINC000136371332 419447245 /nfs/dbraw/zinc/44/72/45/419447245.db2.gz PGXQHDOVMFTMAT-NSHDSACASA-N 1 0 250.342 2.316 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000136431642 419447889 /nfs/dbraw/zinc/44/78/89/419447889.db2.gz QAPRFTSZSCFHQG-AWEZNQCLSA-N 1 0 289.379 2.125 10 0 CEAERO CC(C)(C)OC(=O)NCC(C)(C)[NH2+]C[C@H]1CCCOC1 ZINC000225040429 270309724 /nfs/dbraw/zinc/30/97/24/270309724.db2.gz MNONKVSZJYYIBY-GFCCVEGCSA-N 1 0 286.416 2.306 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)C[C@@H]2CC[NH2+]C2)c(C)c1 ZINC000089743460 260238721 /nfs/dbraw/zinc/23/87/21/260238721.db2.gz MRPWXZNHRDKVME-KBPBESRZSA-N 1 0 260.381 2.480 10 0 CEAERO CCC[C@H](C)[NH+]1CCN([C@@H](C)c2nc(CC)no2)CC1 ZINC000187683165 270255496 /nfs/dbraw/zinc/25/54/96/270255496.db2.gz AHTABKNTOMAVDM-STQMWFEESA-N 1 0 280.416 2.499 10 0 CEAERO C[C@@H]1CN(c2ncc(Cl)cc2Br)C[C@H]1[NH3+] ZINC000261536970 274369089 /nfs/dbraw/zinc/36/90/89/274369089.db2.gz UKKUXCUOIGTIQM-HZGVNTEJSA-N 1 0 290.592 2.281 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)/C=C/c2cccc(O)c2)C1 ZINC000186673388 270251459 /nfs/dbraw/zinc/25/14/59/270251459.db2.gz BUOLFRJGJMQEQZ-MYSGNRETSA-N 1 0 274.364 2.006 10 0 CEAERO CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000393002428 270341946 /nfs/dbraw/zinc/34/19/46/270341946.db2.gz LWZDCYAHOCWWON-SGMGOOAPSA-N 1 0 276.380 2.403 10 0 CEAERO Cc1ncc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)s1 ZINC000398715853 270361649 /nfs/dbraw/zinc/36/16/49/270361649.db2.gz QIRWNWYDCBCVKK-QJPTWQEYSA-N 1 0 252.383 2.044 10 0 CEAERO CCCCN(CCCC)C(=O)C[N@@H+]1C[C@@H](O)CC[C@H]1C ZINC000399458838 270369986 /nfs/dbraw/zinc/36/99/86/270369986.db2.gz JBIYOMNVIHPRIY-CABCVRRESA-N 1 0 284.444 2.260 10 0 CEAERO CN1c2ccccc2[C@@H]([NH2+]CC2CCOCC2)CC1=O ZINC000111153884 273943465 /nfs/dbraw/zinc/94/34/65/273943465.db2.gz VMABGLUUROYQKW-AWEZNQCLSA-N 1 0 274.364 2.110 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCc2sccc2[C@H]1C ZINC000235287038 274378428 /nfs/dbraw/zinc/37/84/28/274378428.db2.gz XLPIQGHMTJNUBS-CKYFFXLPSA-N 1 0 264.394 2.049 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000261861653 274437940 /nfs/dbraw/zinc/43/79/40/274437940.db2.gz XWYLJAZIPVHTSZ-ZWNOBZJWSA-N 1 0 296.798 2.423 10 0 CEAERO C[C@H]1CCN(c2ccc(Br)cn2)C[C@H]1C[NH3+] ZINC000253191203 274562684 /nfs/dbraw/zinc/56/26/84/274562684.db2.gz LVYHUVJKNOJFBR-VHSXEESVSA-N 1 0 284.201 2.265 10 0 CEAERO c1ccc2c(c1)OC[C@H]2NC1CC[NH+](C2CC2)CC1 ZINC000268740575 275070682 /nfs/dbraw/zinc/07/06/82/275070682.db2.gz FWAOQUPBIJLWRR-OAHLLOKOSA-N 1 0 258.365 2.337 10 0 CEAERO c1nc2n(n1)C[C@@H](Nc1cc[nH+]c3ccccc13)CC2 ZINC000110578606 275076455 /nfs/dbraw/zinc/07/64/55/275076455.db2.gz NOIPHOMHFJPFBJ-NSHDSACASA-N 1 0 265.320 2.253 10 0 CEAERO CCC[N@@H+]1CCC[C@@]2(C1)c1ccc(C)nc1NC2=O ZINC000089222052 276009523 /nfs/dbraw/zinc/00/95/23/276009523.db2.gz LBAJOUUZCOBCOF-OAHLLOKOSA-N 1 0 259.353 2.086 10 0 CEAERO CCC[C@@H](C(=O)N1CCOC2(CCCCC2)C1)[NH+](C)C ZINC000179453586 276020789 /nfs/dbraw/zinc/02/07/89/276020789.db2.gz PTDYWGQWBWOOPA-AWEZNQCLSA-N 1 0 282.428 2.278 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]CCN2CCCCC2)C12CCOCC2 ZINC000186230165 276474003 /nfs/dbraw/zinc/47/40/03/276474003.db2.gz VAKVSHNZSWGLCD-HZPDHXFCSA-N 1 0 296.455 2.036 10 0 CEAERO CN1C(=O)C[C@H]([NH2+]C[C@H]2CCCC[C@H]2O)c2ccccc21 ZINC000250391417 277014601 /nfs/dbraw/zinc/01/46/01/277014601.db2.gz PQGLTBSYLCONLG-IVMMDQJWSA-N 1 0 288.391 2.235 10 0 CEAERO CN1CCO[C@H](C[NH2+][C@H]2CC(C)(C)Cc3occc32)C1 ZINC000180497158 277128293 /nfs/dbraw/zinc/12/82/93/277128293.db2.gz OWFBZBVWPKFIBR-OCCSQVGLSA-N 1 0 278.396 2.213 10 0 CEAERO CC(C)(C)C1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000091544747 277135128 /nfs/dbraw/zinc/13/51/28/277135128.db2.gz CIMQNZGTFXVRSO-WCQYABFASA-N 1 0 252.402 2.399 10 0 CEAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(CN)n1 ZINC000262259623 277229493 /nfs/dbraw/zinc/22/94/93/277229493.db2.gz QZMSXQFIVNDWLY-GHMZBOCLSA-N 1 0 266.389 2.223 10 0 CEAERO CC(C)(C)[C@H](O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000336788304 277254088 /nfs/dbraw/zinc/25/40/88/277254088.db2.gz OPKOQOYLKFEJIX-UMVBOHGHSA-N 1 0 255.402 2.020 10 0 CEAERO CO[C@@H]1CC[N@H+](Cc2ccccc2F)[C@@H]2CCO[C@H]21 ZINC000503715750 277292836 /nfs/dbraw/zinc/29/28/36/277292836.db2.gz ANWIREBJMLWLCP-RBSFLKMASA-N 1 0 265.328 2.204 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1C[C@H]1C(C)C ZINC000249362587 277479423 /nfs/dbraw/zinc/47/94/23/277479423.db2.gz SXMCBMJCCGCCJD-RDBSUJKOSA-N 1 0 254.418 2.371 10 0 CEAERO CC(C)[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000164717374 277779162 /nfs/dbraw/zinc/77/91/62/277779162.db2.gz FDHRXVJXTKMCSH-FPMFFAJLSA-N 1 0 252.402 2.173 10 0 CEAERO CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000037042556 277905019 /nfs/dbraw/zinc/90/50/19/277905019.db2.gz VMDOOLBETQBMGB-GUBZILKMSA-N 1 0 266.307 2.207 10 0 CEAERO CC(C)[C@H]1CCCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000079341158 277935672 /nfs/dbraw/zinc/93/56/72/277935672.db2.gz VRPMCSGZAXQSON-HZSPNIEDSA-N 1 0 252.402 2.127 10 0 CEAERO COc1nc2ccccc2nc1N[C@H]1CC[C@H]([NH3+])CC1 ZINC000100266689 278087149 /nfs/dbraw/zinc/08/71/49/278087149.db2.gz DBYCHQWINWCFNH-PHIMTYICSA-N 1 0 272.352 2.320 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1cccc(C(F)(F)F)c1F ZINC000261660376 278098851 /nfs/dbraw/zinc/09/88/51/278098851.db2.gz FBHIDLJZTMQBSK-GMSGAONNSA-N 1 0 290.260 2.406 10 0 CEAERO CS(=O)(=O)c1ccc(N[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000089108737 278120188 /nfs/dbraw/zinc/12/01/88/278120188.db2.gz PYSOFUHGQWBXJA-BXUZGUMPSA-N 1 0 282.409 2.020 10 0 CEAERO CS[C@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000246128291 278158069 /nfs/dbraw/zinc/15/80/69/278158069.db2.gz BDDDVMMVHSWZGW-GJZGRUSLSA-N 1 0 290.432 2.397 10 0 CEAERO C[C@@H]([NH3+])[C@@H]1CCN(c2ncccc2Br)C1 ZINC000168579807 278314467 /nfs/dbraw/zinc/31/44/67/278314467.db2.gz QYFSNZKHJGCPDQ-RKDXNWHRSA-N 1 0 270.174 2.018 10 0 CEAERO C[C@H]1CCCN(c2ccc(Br)cn2)[C@@H]1C[NH3+] ZINC000069727390 278344028 /nfs/dbraw/zinc/34/40/28/278344028.db2.gz JZIFNDASHMKQNK-GXSJLCMTSA-N 1 0 284.201 2.408 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+]C[C@@H]2CCCC[C@@H]2C)C1 ZINC000263534951 279059385 /nfs/dbraw/zinc/05/93/85/279059385.db2.gz YQQSGPNLYHEQRE-HESLUPGFSA-N 1 0 282.428 2.340 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1Cc2ccccc2O1 ZINC000193267580 279131712 /nfs/dbraw/zinc/13/17/12/279131712.db2.gz KUDNZBKGSSIAJR-GDBMZVCRSA-N 1 0 290.407 2.083 10 0 CEAERO CCN(C[C@@H]1CCCO1)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000171633395 279219891 /nfs/dbraw/zinc/21/98/91/279219891.db2.gz PIMJZZMAAVENFD-CABCVRRESA-N 1 0 299.459 2.173 10 0 CEAERO CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NC[C@@H](C)[NH2+]C ZINC000261794339 288136941 /nfs/dbraw/zinc/13/69/41/288136941.db2.gz RDSSZVQOBWBXAZ-SYQHCUMBSA-N 1 0 270.417 2.084 10 0 CEAERO C[C@H]1CCN(c2ncccc2Br)[C@H](C[NH3+])C1 ZINC000261532398 279731714 /nfs/dbraw/zinc/73/17/14/279731714.db2.gz AVABBXXTFJRIFF-UWVGGRQHSA-N 1 0 284.201 2.408 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)NCCCC(C)(C)C)C1 ZINC000121240845 279767415 /nfs/dbraw/zinc/76/74/15/279767415.db2.gz ZQOXAVCCEGCINM-GFCCVEGCSA-N 1 0 255.406 2.158 10 0 CEAERO C[C@@H](CC[S@@](C)=O)[NH2+]Cc1ccnc2ccccc12 ZINC000125520809 279811944 /nfs/dbraw/zinc/81/19/44/279811944.db2.gz JORIYNLVHOMPEO-BUXKBTBVSA-N 1 0 276.405 2.482 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCn3nc(CC)nc32)C1(C)C ZINC000245957994 279820172 /nfs/dbraw/zinc/82/01/72/279820172.db2.gz XPTDHCFXBLJZPH-JHJVBQTASA-N 1 0 292.427 2.469 10 0 CEAERO C[C@H](C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCOCC1 ZINC000129222162 279906749 /nfs/dbraw/zinc/90/67/49/279906749.db2.gz DUAKGZTZXLTYEG-FRRDWIJNSA-N 1 0 294.361 2.418 10 0 CEAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1(C(N)=O)CCOCC1 ZINC000247066745 279992001 /nfs/dbraw/zinc/99/20/01/279992001.db2.gz OBBYYUCKALJZLK-ILXRZTDVSA-N 1 0 296.455 2.319 10 0 CEAERO Cc1cncc(CNC(=O)N[C@H](CC(C)C)C[NH+](C)C)c1 ZINC000134339689 280018431 /nfs/dbraw/zinc/01/84/31/280018431.db2.gz RXNXECPUWQMYDV-OAHLLOKOSA-N 1 0 292.427 2.166 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000261861643 280114169 /nfs/dbraw/zinc/11/41/69/280114169.db2.gz XWYLJAZIPVHTSZ-GXFFZTMASA-N 1 0 296.798 2.423 10 0 CEAERO CC(C)OC1CC([NH2+][C@H]2CN(C(C)C)C[C@H]2C)C1 ZINC000185853383 280127414 /nfs/dbraw/zinc/12/74/14/280127414.db2.gz WDNZEILQFJZZHW-URGYJCLVSA-N 1 0 254.418 2.261 10 0 CEAERO O=C(N1CC[N@@H+]2CCC[C@@H]2C1)C1(c2ccc(F)cc2)CC1 ZINC000195328539 280201931 /nfs/dbraw/zinc/20/19/31/280201931.db2.gz VWSQJVSJKGAFEQ-OAHLLOKOSA-N 1 0 288.366 2.164 10 0 CEAERO C[C@H](CC[NH2+][C@@H]1CCO[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000223159536 280212327 /nfs/dbraw/zinc/21/23/27/280212327.db2.gz SAFILGJJSXKOCO-FRRDWIJNSA-N 1 0 286.416 2.447 10 0 CEAERO CCOCCC1(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)CCC1 ZINC000245679188 280256120 /nfs/dbraw/zinc/25/61/20/280256120.db2.gz JEZKWPJIVZVUMV-CABCVRRESA-N 1 0 296.455 2.428 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C[C@H](C)SC ZINC000245703289 280257144 /nfs/dbraw/zinc/25/71/44/280257144.db2.gz XAQOEDSKRCAVRA-RYUDHWBXSA-N 1 0 258.431 2.071 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000245753469 280259724 /nfs/dbraw/zinc/25/97/24/280259724.db2.gz ZBNXWOABJXGYJY-XGUBFFRZSA-N 1 0 297.443 2.068 10 0 CEAERO CCc1onc(C)c1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246289019 280285704 /nfs/dbraw/zinc/28/57/04/280285704.db2.gz CFVAACFGOUWQTD-PWSUYJOCSA-N 1 0 279.384 2.004 10 0 CEAERO C[C@H](O)C[N@@H+]1CCN(C(=O)CC2CCCCCC2)C[C@@H]1C ZINC000246328386 280288036 /nfs/dbraw/zinc/28/80/36/280288036.db2.gz KBEPXSLTFZDLIK-GJZGRUSLSA-N 1 0 296.455 2.260 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@]2(C)CCCS2)C1 ZINC000246479354 280296348 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C[C@H]1CN(C(=O)N[C@@H]2CC[C@@H](C)CC2)C[C@H]1[NH+](C)C ZINC000465221111 290263470 /nfs/dbraw/zinc/26/34/70/290263470.db2.gz CRFQLZCTGDFXER-XDQVBPFNSA-N 1 0 267.417 2.157 10 0 CEAERO Cc1nc2ccccc2nc1N1CC[C@](C)(C[NH3+])C1 ZINC000235955498 293485177 /nfs/dbraw/zinc/48/51/77/293485177.db2.gz RKCDPJKJLXHRLN-OAHLLOKOSA-N 1 0 256.353 2.113 10 0 CEAERO [NH3+][C@@H]1CCCN(C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1 ZINC000191335573 295302141 /nfs/dbraw/zinc/30/21/41/295302141.db2.gz UNSGCCVELKBIEQ-OAGGEKHMSA-N 1 0 288.391 2.104 10 0 CEAERO CCc1nc(CN(C)C(=O)C[C@@H]2CCC[NH2+]C2)cs1 ZINC000328125381 297498548 /nfs/dbraw/zinc/49/85/48/297498548.db2.gz MICZBSNNBGVFQS-NSHDSACASA-N 1 0 281.425 2.054 10 0 CEAERO COCC[C@@](C)(O)C[NH2+]C[C@H](C)c1ccc(OC)cc1 ZINC000182210655 312809717 /nfs/dbraw/zinc/80/97/17/312809717.db2.gz QXOCUTKTFYPOLE-XJKSGUPXSA-N 1 0 281.396 2.176 10 0 CEAERO C[C@@H](C[NH2+]C[C@@H](O)C(C)(C)C)Oc1ccccc1 ZINC000567891844 313916658 /nfs/dbraw/zinc/91/66/58/313916658.db2.gz 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/nfs/dbraw/zinc/33/90/62/322339062.db2.gz ADJUOQNUVZBZFT-LBPRGKRZSA-N 1 0 271.364 2.132 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)N1CCC(c2nccs2)CC1 ZINC000581380475 322392458 /nfs/dbraw/zinc/39/24/58/322392458.db2.gz VMXIOQHPGCJZOU-GFCCVEGCSA-N 1 0 293.436 2.239 10 0 CEAERO CCOC(=O)CCCOCCC[NH+]1CCCCC1 ZINC000583652960 328727133 /nfs/dbraw/zinc/72/71/33/328727133.db2.gz LOMTTZGRABGRRN-UHFFFAOYSA-N 1 0 257.374 2.222 10 0 CEAERO COc1cc(C)ccc1[C@H](C)[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000392873821 329059433 /nfs/dbraw/zinc/05/94/33/329059433.db2.gz FOUQFAASTYABNO-SCRDCRAPSA-N 1 0 276.380 2.321 10 0 CEAERO CCN(C(=O)OC(C)(C)C)[C@@H]1CO[C@]2(CCC[NH2+]2)C1 ZINC000536956068 330383214 /nfs/dbraw/zinc/38/32/14/330383214.db2.gz UGQWQANPCVMJPS-SMDDNHRTSA-N 1 0 270.373 2.112 10 0 CEAERO CC(C)[NH+](C(C)C)[C@H]1CNC[C@H](C(=O)OC(C)(C)C)C1 ZINC000536960869 330384208 /nfs/dbraw/zinc/38/42/08/330384208.db2.gz URWZDKIGHAGLMF-ZIAGYGMSSA-N 1 0 284.444 2.425 10 0 CEAERO CC(C)(C)[NH2+]C[C@@H](c1ccccc1)N1CCOCC1 ZINC000052378002 518758599 /nfs/dbraw/zinc/75/85/99/518758599.db2.gz LJBAVXGBQBWCPF-HNNXBMFYSA-N 1 0 262.397 2.448 10 0 CEAERO CC(C)C[N@H+](CC[C@H]([NH2+]C(C)C)C(=O)[O-])C(C)C ZINC000062525347 519717538 /nfs/dbraw/zinc/71/75/38/519717538.db2.gz MFSDSLGQXNLYTE-ZDUSSCGKSA-N 1 0 258.406 2.194 10 0 CEAERO CC(C)[NH2+][C@](C)(CC[N@@H+]1CCCC(C)(C)C1)C(=O)[O-] ZINC000069516835 519739844 /nfs/dbraw/zinc/73/98/44/519739844.db2.gz FZICJMOSHCDGJB-OAHLLOKOSA-N 1 0 270.417 2.340 10 0 CEAERO CC(C)C[NH2+]CC[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000052949590 519743916 /nfs/dbraw/zinc/74/39/16/519743916.db2.gz YOLIICNALIMEDV-GFCCVEGCSA-N 1 0 267.394 2.193 10 0 CEAERO CC(C)C[NH2+]C[C@@H](C(C)C)N(C)C1CCOCC1 ZINC000052481086 519744640 /nfs/dbraw/zinc/74/46/40/519744640.db2.gz YCBSVPNSNXKRLB-HNNXBMFYSA-N 1 0 256.434 2.367 10 0 CEAERO CC(C)Oc1nc(N[C@@H](C)CC[NH+](C)C)ccc1N ZINC000049555350 519785651 /nfs/dbraw/zinc/78/56/51/519785651.db2.gz QWMZAIAYPAGVOJ-NSHDSACASA-N 1 0 266.389 2.203 10 0 CEAERO CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CCOCCOC ZINC000054602540 519907687 /nfs/dbraw/zinc/90/76/87/519907687.db2.gz SNVIHHVMHXNWBQ-MQVJKMGUSA-N 1 0 284.444 2.035 10 0 CEAERO CC[NH2+]CC1(CN(C)Cc2ccc(C)o2)CCOCC1 ZINC000052181542 519912088 /nfs/dbraw/zinc/91/20/88/519912088.db2.gz DLCKMOJUYWMPOB-UHFFFAOYSA-N 1 0 280.412 2.426 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1c(C)nn(C(C)C)c1C ZINC000061235026 519939028 /nfs/dbraw/zinc/93/90/28/519939028.db2.gz FARCLLYVZLICHI-SNVBAGLBSA-N 1 0 266.389 2.265 10 0 CEAERO CCC[NH2+]C[C@H]1CC[C@H](COCC(F)(F)F)O1 ZINC000052601642 519941053 /nfs/dbraw/zinc/94/10/53/519941053.db2.gz IAKLKLXCSYQSLP-NXEZZACHSA-N 1 0 255.280 2.113 10 0 CEAERO CCC[NH2+]C[C@H]1CC[C@H](Cn2cc(Cl)cn2)O1 ZINC000052577274 519941129 /nfs/dbraw/zinc/94/11/29/519941129.db2.gz AYTAFZALFAJZLO-VXGBXAGGSA-N 1 0 257.765 2.084 10 0 CEAERO CC[NH2+]C[C@@H](OCCCOC)c1cccc(OC)c1 ZINC000050486671 519947496 /nfs/dbraw/zinc/94/74/96/519947496.db2.gz YZTONGDCMPMUTE-OAHLLOKOSA-N 1 0 267.369 2.399 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N(C)Cc1ccccc1OCC ZINC000061265835 519959378 /nfs/dbraw/zinc/95/93/78/519959378.db2.gz JGLVNACFZRAYOY-ZDUSSCGKSA-N 1 0 278.396 2.289 10 0 CEAERO CCC[NH2+][C@@H](Cc1cnn(C)c1)Cc1nc(C)cs1 ZINC000055269198 520013162 /nfs/dbraw/zinc/01/31/62/520013162.db2.gz WTWSSEYVYBKEDK-ZDUSSCGKSA-N 1 0 278.425 2.338 10 0 CEAERO CC[NH2+]Cc1nnnn1[C@H](C)c1ccc(Cl)s1 ZINC000054747302 520026983 /nfs/dbraw/zinc/02/69/83/520026983.db2.gz LZXVZRXCQKHTNQ-SSDOTTSWSA-N 1 0 271.777 2.107 10 0 CEAERO CC[NH2+]Cc1sc(N(C)[C@H](C)COC)nc1CC ZINC000054998828 520032499 /nfs/dbraw/zinc/03/24/99/520032499.db2.gz WHHRWLDZCASQRF-SNVBAGLBSA-N 1 0 271.430 2.286 10 0 CEAERO CCC[NH2+][C@H](C)c1ccc(C)cc1OC[C@H](O)COC ZINC000069054009 520063195 /nfs/dbraw/zinc/06/31/95/520063195.db2.gz FJZNVPQKJHGOCF-ZIAGYGMSSA-N 1 0 281.396 2.442 10 0 CEAERO CCCN[C@](C)(C[C@@H](C)[N@H+](C)C[C@@H]1C[C@@H]1C)C(=O)OC ZINC000068647590 520109365 /nfs/dbraw/zinc/10/93/65/520109365.db2.gz MZSOJMGZYVHVDS-KNCOVGOOSA-N 1 0 284.444 2.284 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N(C)Cc1ccc(OC)cc1 ZINC000061271683 520162143 /nfs/dbraw/zinc/16/21/43/520162143.db2.gz JBXOONCPRNPXBF-GFCCVEGCSA-N 1 0 264.369 2.042 10 0 CEAERO CC[NH2+][C@H](Cc1cnn(CC)c1)Cc1nc(C)cs1 ZINC000055268628 520203800 /nfs/dbraw/zinc/20/38/00/520203800.db2.gz FAAXNEGDYLOMJI-CYBMUJFWSA-N 1 0 278.425 2.431 10 0 CEAERO CCCCCNC(=O)[C@H](C)[NH2+][C@H](C)CN1CCCCC1 ZINC000049501564 520218345 /nfs/dbraw/zinc/21/83/45/520218345.db2.gz NGNCTXQWBCEUSW-CABCVRRESA-N 1 0 283.460 2.145 10 0 CEAERO CCO[C@H]1CCCN(Cc2[nH+]c(NN)ccc2Cl)C1 ZINC000061638736 520527038 /nfs/dbraw/zinc/52/70/38/520527038.db2.gz BCJPPTANKYPTMG-JTQLQIEISA-N 1 0 284.791 2.022 10 0 CEAERO CCN(CC)c1nc(C)c(CC[NH2+]C(C)C)c(C)n1 ZINC000054853828 520925308 /nfs/dbraw/zinc/92/53/08/520925308.db2.gz ASEUJSKELOJPRI-UHFFFAOYSA-N 1 0 264.417 2.480 10 0 CEAERO CCOc1ccc(C2(O)CC[NH2+]CC2)cc1OCC ZINC000055193364 520928509 /nfs/dbraw/zinc/92/85/09/520928509.db2.gz LWVXXDILKPNFRD-UHFFFAOYSA-N 1 0 265.353 2.055 10 0 CEAERO CCOC(=O)[C@@H](CC[NH+]1CCC(CC)CC1)NC1CC1 ZINC000062526351 521057348 /nfs/dbraw/zinc/05/73/48/521057348.db2.gz LNLBUYSNUVCVCQ-OAHLLOKOSA-N 1 0 282.428 2.182 10 0 CEAERO CCCC[C@H](C)NS(=O)(=O)c1ccccc1C[NH3+] ZINC000050888234 521150671 /nfs/dbraw/zinc/15/06/71/521150671.db2.gz BOPMGVVNMZPKBB-NSHDSACASA-N 1 0 270.398 2.002 10 0 CEAERO CCOC(=O)[C@@](C)(C[C@H](C)[N@H+](C)CC1CCCC1)NC ZINC000068647057 521150912 /nfs/dbraw/zinc/15/09/12/521150912.db2.gz XKIDXTMCHAEFPU-XJKSGUPXSA-N 1 0 284.444 2.428 10 0 CEAERO CCOC(=O)[C@H](CC[N@H+](C)C1CCCC1)NC(C)C ZINC000062446280 521240166 /nfs/dbraw/zinc/24/01/66/521240166.db2.gz SLDSVIOJOKTSHP-AWEZNQCLSA-N 1 0 270.417 2.181 10 0 CEAERO CCOC(=O)[C@H](CC[N@H+](CC)[C@@H](C)CC)NC1CC1 ZINC000062446471 521243190 /nfs/dbraw/zinc/24/31/90/521243190.db2.gz ZKRPEKLAUJKIPX-JSGCOSHPSA-N 1 0 270.417 2.181 10 0 CEAERO CC[NH+]1CCC(N(C)Cc2ccc(NC)nc2)CC1 ZINC000050816463 521564204 /nfs/dbraw/zinc/56/42/04/521564204.db2.gz CFVZWCJJYYGTLS-UHFFFAOYSA-N 1 0 262.401 2.039 10 0 CEAERO CCCN(CC[NH+](C)C)c1cc(C)nc(Cl)n1 ZINC000052814972 521658446 /nfs/dbraw/zinc/65/84/46/521658446.db2.gz SQOLOVJTUDCWEJ-UHFFFAOYSA-N 1 0 256.781 2.216 10 0 CEAERO C[NH2+]CC1(Cc2ncc(C)c(OC)c2C)CCOCC1 ZINC000061674043 521972541 /nfs/dbraw/zinc/97/25/41/521972541.db2.gz KHKSNTYGQQCHKI-UHFFFAOYSA-N 1 0 278.396 2.266 10 0 CEAERO C[NH2+]C[C@H](O[C@@H](C)COC)c1cccc(OC)c1 ZINC000070206513 522078146 /nfs/dbraw/zinc/07/81/46/522078146.db2.gz UHAFSSGQCOYDQF-FZMZJTMJSA-N 1 0 253.342 2.007 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(c2ccc(CO)c(C)c2)CC1 ZINC000055068048 522135172 /nfs/dbraw/zinc/13/51/72/522135172.db2.gz IXTIRNTWQFIOPS-CQSZACIVSA-N 1 0 262.397 2.408 10 0 CEAERO COC(=O)c1cc(CN2CC[N@@H+]3CCCC[C@@H]3C2)cs1 ZINC000411379061 533794946 /nfs/dbraw/zinc/79/49/46/533794946.db2.gz AYCGYXDEXJQSAE-CYBMUJFWSA-N 1 0 294.420 2.205 10 0 CEAERO C[NH2+][C@H](C)c1cnc(N2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000054900565 522452674 /nfs/dbraw/zinc/45/26/74/522452674.db2.gz PHYZGYOCTKEUFX-KXUCPTDWSA-N 1 0 255.387 2.037 10 0 CEAERO C[NH2+][C@H](C)c1cnn(Cc2ccc(F)cc2F)c1 ZINC000054720909 522453109 /nfs/dbraw/zinc/45/31/09/522453109.db2.gz XIFIEWBIRRYQDW-SECBINFHSA-N 1 0 251.280 2.490 10 0 CEAERO C[NH2+][C@H](C)c1nnc(-c2cc(OC)cc(OC)c2)o1 ZINC000050618257 522454521 /nfs/dbraw/zinc/45/45/21/522454521.db2.gz MRDNRDWTDSGMJH-MRVPVSSYSA-N 1 0 263.297 2.034 10 0 CEAERO C[NH2+][C@H](CCCS(C)(=O)=O)c1ccc(C)c(F)c1 ZINC000063016990 522458481 /nfs/dbraw/zinc/45/84/81/522458481.db2.gz NLGJKDSUMWKJQL-CYBMUJFWSA-N 1 0 273.373 2.219 10 0 CEAERO C[C@H](Nc1ccc(N2CCCC2)nc1)[C@@H]1CC[NH2+]C1 ZINC000400534027 534024701 /nfs/dbraw/zinc/02/47/01/534024701.db2.gz SNTRSHWNVZYLBG-QWHCGFSZSA-N 1 0 260.385 2.092 10 0 CEAERO C[C@H](Nc1ccc(OCC(F)(F)F)nc1)[C@@H]1CC[NH2+]C1 ZINC000400454400 534026451 /nfs/dbraw/zinc/02/64/51/534026451.db2.gz PLVUTBBMVPPRMP-VHSXEESVSA-N 1 0 289.301 2.433 10 0 CEAERO CCn1cncc1[C@@H](C[NH3+])N(C)Cc1ccccc1C ZINC000090174499 517884204 /nfs/dbraw/zinc/88/42/04/517884204.db2.gz QBCMOOZQRZQBES-OAHLLOKOSA-N 1 0 272.396 2.343 10 0 CEAERO COc1cccc(NC(=O)C[NH2+]CCC(C)C)c1 ZINC000020047149 518166441 /nfs/dbraw/zinc/16/64/41/518166441.db2.gz NRCRLDJSYPCPMP-UHFFFAOYSA-N 1 0 250.342 2.269 10 0 CEAERO CC(C)(C)C1CCN(C(=O)c2cc[nH+]c(NN)c2)CC1 ZINC000051093831 518608158 /nfs/dbraw/zinc/60/81/58/518608158.db2.gz VASGUKDUTDJQBT-UHFFFAOYSA-N 1 0 276.384 2.266 10 0 CEAERO CC(C)(C)CC[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC000061839482 518653543 /nfs/dbraw/zinc/65/35/43/518653543.db2.gz CCGDASYZKRMCLG-UHFFFAOYSA-N 1 0 252.402 2.413 10 0 CEAERO CC(C)(C)[NH2+]Cc1ccoc1CN1CCN(C2CC2)CC1 ZINC000052371296 518765877 /nfs/dbraw/zinc/76/58/77/518765877.db2.gz LCBYJRHZUHACPI-UHFFFAOYSA-N 1 0 291.439 2.448 10 0 CEAERO CC(C)(C)c1ccc([C@H]([NH3+])Cn2ncccc2=O)cc1 ZINC000061402852 519050114 /nfs/dbraw/zinc/05/01/14/519050114.db2.gz NQAPQVJYIADVAI-CQSZACIVSA-N 1 0 271.364 2.241 10 0 CEAERO CC(C)(C)c1cccc(OCC[C@H]([NH2+]C2CC2)C(N)=O)c1 ZINC000062594661 519055583 /nfs/dbraw/zinc/05/55/83/519055583.db2.gz XFDCCIRZXVDVLH-HNNXBMFYSA-N 1 0 290.407 2.359 10 0 CEAERO CC(C)([NH3+])c1noc(-c2ccc3ncccc3c2)n1 ZINC000061418836 519302352 /nfs/dbraw/zinc/30/23/52/519302352.db2.gz OHXHBBVZBCLWNZ-UHFFFAOYSA-N 1 0 254.293 2.479 10 0 CEAERO CC(C)C[C@H](CN(C)C)[NH2+]C[C@@H](O)c1ccccc1F ZINC000049555636 519339845 /nfs/dbraw/zinc/33/98/45/519339845.db2.gz PREILBHMLBYIDX-CZUORRHYSA-N 1 0 282.403 2.425 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)Nc1ncnc2c1CCC2 ZINC000061277228 519344692 /nfs/dbraw/zinc/34/46/92/519344692.db2.gz MUKBOWPSEFCOFE-GFCCVEGCSA-N 1 0 262.401 2.354 10 0 CEAERO CC(C)C[C@H](C[NH2+][C@H]1CCOC(C)(C)C1)N1CCOCC1 ZINC000070346795 519353951 /nfs/dbraw/zinc/35/39/51/519353951.db2.gz SHLVSEPWMJBHJK-JKSUJKDBSA-N 1 0 298.471 2.281 10 0 CEAERO CC(C)n1ccnc(NCC[NH+](C(C)C)C(C)C)c1=O ZINC000061762075 519648620 /nfs/dbraw/zinc/64/86/20/519648620.db2.gz NQZXZELXDOPGRQ-UHFFFAOYSA-N 1 0 280.416 2.355 10 0 CEAERO CC(C)N(Cc1ccccc1)C(=O)c1ccc(NN)[nH+]c1 ZINC000051088781 519657899 /nfs/dbraw/zinc/65/78/99/519657899.db2.gz VBJZTWFACGOAHI-UHFFFAOYSA-N 1 0 284.363 2.418 10 0 CEAERO CC(C)C[NH+](CC(C)C)C[C@@](NC(C)C)(C(N)=O)C1CC1 ZINC000069100877 519713259 /nfs/dbraw/zinc/71/32/59/519713259.db2.gz FJITZDXUPVMRPI-KRWDZBQOSA-N 1 0 297.487 2.233 10 0 CEAERO CC(C)[NH2+]CCCC(=O)Nc1nc2c(s1)CCC2 ZINC000049547746 519720432 /nfs/dbraw/zinc/72/04/32/519720432.db2.gz LRLXMCLWHGYQQJ-UHFFFAOYSA-N 1 0 267.398 2.349 10 0 CEAERO CC(C)[NH2+]C[C@@H](C)Sc1nnnn1C1CCCC1 ZINC000053609217 519722984 /nfs/dbraw/zinc/72/29/84/519722984.db2.gz UIYYTVXALKEXGU-SNVBAGLBSA-N 1 0 269.418 2.267 10 0 CEAERO CC(C)[NH2+]C[C@H](Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000052951214 519724656 /nfs/dbraw/zinc/72/46/56/519724656.db2.gz HJBKZCALYIRYST-HOTGVXAUSA-N 1 0 295.448 2.278 10 0 CEAERO CC(C)[NH2+]Cc1cc2ccccc2nc1N1CC[C@@H](O)C1 ZINC000061711287 519726767 /nfs/dbraw/zinc/72/67/67/519726767.db2.gz RZDHYNJRBWAYAY-OAHLLOKOSA-N 1 0 285.391 2.304 10 0 CEAERO CC(C)[NH2+]Cc1ccc(CN2CCOC[C@@H]2C)cc1 ZINC000052476046 519726981 /nfs/dbraw/zinc/72/69/81/519726981.db2.gz IWROFQAFRDSSGK-AWEZNQCLSA-N 1 0 262.397 2.405 10 0 CEAERO CC(C)[NH2+]Cc1cccc(OC[C@@H](O)C(F)(F)F)c1 ZINC000068876144 519727096 /nfs/dbraw/zinc/72/70/96/519727096.db2.gz DCIBRXMMDMOEJD-GFCCVEGCSA-N 1 0 277.286 2.487 10 0 CEAERO CC(C)C[NH+]1CCN([C@@H]2CNc3ccccc3C2)CC1 ZINC000055079706 519727815 /nfs/dbraw/zinc/72/78/15/519727815.db2.gz JGQMNNBEAQQIAS-INIZCTEOSA-N 1 0 273.424 2.297 10 0 CEAERO CC(C)[NH2+][C@@H](CC[N@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000062451260 519733927 /nfs/dbraw/zinc/73/39/27/519733927.db2.gz RKKGATPRUYAUMC-AWEZNQCLSA-N 1 0 270.417 2.482 10 0 CEAERO CC(C)[NH2+][C@@H](CC[N@@H+]1CC[C@H](c2ccccc2)C1)C(=O)[O-] ZINC000062530956 519734160 /nfs/dbraw/zinc/73/41/60/519734160.db2.gz BATMTDIGWRVEKV-HOTGVXAUSA-N 1 0 290.407 2.317 10 0 CEAERO CC(C)[NH2+][C@@H](CC[NH+]1[C@@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000062443529 519734185 /nfs/dbraw/zinc/73/41/85/519734185.db2.gz IEGGHCSMJVVXMX-AVGNSLFASA-N 1 0 256.390 2.091 10 0 CEAERO CC(C)CNC(=O)NCC1CC[NH+](CC(C)C)CC1 ZINC000062507498 519737477 /nfs/dbraw/zinc/73/74/77/519737477.db2.gz AJCFMKLZEYQMEY-UHFFFAOYSA-N 1 0 269.433 2.310 10 0 CEAERO CC(C)[NH2+][C@](C)(C[C@H](C)n1ncc2ccccc21)C(N)=O ZINC000068649763 519740041 /nfs/dbraw/zinc/74/00/41/519740041.db2.gz WOHCXZHPSGYFDF-BLLLJJGKSA-N 1 0 288.395 2.229 10 0 CEAERO CC(C)C[NH2+]CC1(CN2CCOCC2(C)C)CCOCC1 ZINC000052183443 519743045 /nfs/dbraw/zinc/74/30/45/519743045.db2.gz OFKWMBCZUADHEY-UHFFFAOYSA-N 1 0 298.471 2.140 10 0 CEAERO CC(C)C[NH2+]CCCCn1nnc(-c2ccccc2)n1 ZINC000052574615 519743502 /nfs/dbraw/zinc/74/35/02/519743502.db2.gz AJTJZXDXKMHRFQ-UHFFFAOYSA-N 1 0 273.384 2.366 10 0 CEAERO CC(C)C[NH2+]C[C@@H]1CCCCN1Cc1ncccn1 ZINC000054460371 519744838 /nfs/dbraw/zinc/74/48/38/519744838.db2.gz PZSIADWYSAIEFE-AWEZNQCLSA-N 1 0 262.401 2.077 10 0 CEAERO CC(C)C[NH2+]Cc1ccc(OC2CCOCC2)nc1 ZINC000051522273 519747328 /nfs/dbraw/zinc/74/73/28/519747328.db2.gz RTIDMVQSUFKXEG-UHFFFAOYSA-N 1 0 264.369 2.385 10 0 CEAERO CC(C)C[NH2+]Cc1cnc(N2CCO[C@@H](C)C2)s1 ZINC000054900804 519748349 /nfs/dbraw/zinc/74/83/49/519748349.db2.gz PEXXUUJOQFBIHW-NSHDSACASA-N 1 0 269.414 2.114 10 0 CEAERO CC(C)C[NH2+]Cc1nnnn1-c1ccc(OC(C)C)cc1 ZINC000054744345 519748844 /nfs/dbraw/zinc/74/88/44/519748844.db2.gz XQVBUETYLGRELO-UHFFFAOYSA-N 1 0 289.383 2.195 10 0 CEAERO CC(C)OCCN1CCC[NH2+][C@H](Cc2ccccc2)C1 ZINC000062670314 519765804 /nfs/dbraw/zinc/76/58/04/519765804.db2.gz KEHUJQDTMPHTAJ-QGZVFWFLSA-N 1 0 276.424 2.318 10 0 CEAERO CC(C)OCCN1C[C@H](C(C)C)[NH2+]C[C@H]1C(C)C ZINC000062626410 519766569 /nfs/dbraw/zinc/76/65/69/519766569.db2.gz MIVBHNLCTVDGLW-CABCVRRESA-N 1 0 256.434 2.366 10 0 CEAERO CC(C)[C@@H](CN(C)C)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000049197972 519793507 /nfs/dbraw/zinc/79/35/07/519793507.db2.gz BWWCPSPXMCIHLG-MRXNPFEDSA-N 1 0 290.455 2.226 10 0 CEAERO CC(C)[C@@H](CN(C)C)[NH2+]C[C@H](O)c1ccc(F)cc1F ZINC000049204636 519793539 /nfs/dbraw/zinc/79/35/39/519793539.db2.gz JZJQBZBNJIUWQD-CABCVRRESA-N 1 0 286.366 2.174 10 0 CEAERO CC(C)[C@@H](CNS(=O)(=O)c1ccccc1)[NH+]1CCCC1 ZINC000049736713 519795025 /nfs/dbraw/zinc/79/50/25/519795025.db2.gz NWEDTUKTTNDMCF-OAHLLOKOSA-N 1 0 296.436 2.085 10 0 CEAERO CC(C)[C@@H]1CC[C@H](C)c2c(N3CC[NH2+]CC3)n[nH]c21 ZINC000062670035 519803346 /nfs/dbraw/zinc/80/33/46/519803346.db2.gz AYFHULBOIPESKI-RYUDHWBXSA-N 1 0 262.401 2.456 10 0 CEAERO CCC1CCC([N@H+](C)CC[C@@H](NC)C(=O)OC)CC1 ZINC000062526011 519853486 /nfs/dbraw/zinc/85/34/86/519853486.db2.gz OHOYFVJZZABEAY-JXQTWKCFSA-N 1 0 270.417 2.038 10 0 CEAERO CCC1CC[NH+](Cc2ccnc(C(N)=S)c2)CC1 ZINC000068752203 519859555 /nfs/dbraw/zinc/85/95/55/519859555.db2.gz XMZROKBBAUGASC-UHFFFAOYSA-N 1 0 263.410 2.338 10 0 CEAERO CCCC1CC[NH+](C[C@](NC)(C(=O)OC)C2CC2)CC1 ZINC000069231652 519902138 /nfs/dbraw/zinc/90/21/38/519902138.db2.gz YWGOBGUDAGELHS-MRXNPFEDSA-N 1 0 282.428 2.040 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000061299386 519904573 /nfs/dbraw/zinc/90/45/73/519904573.db2.gz FBDOCWUHDFJSLD-CQSZACIVSA-N 1 0 260.381 2.391 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1ccccc1[C@@H](C)O ZINC000061299081 519908061 /nfs/dbraw/zinc/90/80/61/519908061.db2.gz CYAHMQKYCCJJBS-SNVBAGLBSA-N 1 0 250.342 2.067 10 0 CEAERO CCC[NH2+]CC(CC)(CC)[C@H]1CCS(=O)(=O)C1 ZINC000054658626 519908595 /nfs/dbraw/zinc/90/85/95/519908595.db2.gz MWBZKHXJEKFXKU-LBPRGKRZSA-N 1 0 261.431 2.227 10 0 CEAERO CC[NH2+]CC1(Cc2nnnn2-c2ccccc2)CCCC1 ZINC000054655572 519913915 /nfs/dbraw/zinc/91/39/15/519913915.db2.gz UCCBKOZAEKWXCY-UHFFFAOYSA-N 1 0 285.395 2.375 10 0 CEAERO CC[NH2+]CCC(=O)N[C@H](C)Cc1ccccc1Cl ZINC000061290623 519917390 /nfs/dbraw/zinc/91/73/90/519917390.db2.gz PWWXAHBZSXSZAU-LLVKDONJSA-N 1 0 268.788 2.387 10 0 CEAERO CCC[NH2+]CCNc1ccc(C(F)(F)F)cc1C(N)=O ZINC000054267454 519918669 /nfs/dbraw/zinc/91/86/69/519918669.db2.gz LBYKFORUAOFQNQ-UHFFFAOYSA-N 1 0 289.301 2.216 10 0 CEAERO CCC[NH2+]C[C@@H](Oc1cccc(S(C)(=O)=O)c1)C(C)C ZINC000052701322 519921727 /nfs/dbraw/zinc/92/17/27/519921727.db2.gz JSFUSMGXALAQOB-OAHLLOKOSA-N 1 0 299.436 2.493 10 0 CEAERO CCC[NH2+]C[C@@H]1CCCCN1c1ncnc2c1CCC2 ZINC000061278278 519922599 /nfs/dbraw/zinc/92/25/99/519922599.db2.gz RAVDEHXPFRVLHZ-ZDUSSCGKSA-N 1 0 274.412 2.324 10 0 CEAERO CC(C)n1c(S[C@@H](C[NH3+])c2ccc(F)cc2)n[nH]c1=O ZINC000061595217 519923821 /nfs/dbraw/zinc/92/38/21/519923821.db2.gz IUAJJDXTUOYZSF-NSHDSACASA-N 1 0 296.371 2.084 10 0 CEAERO CC(C)n1c(Sc2ccc(F)cc2[C@@H](C)[NH3+])n[nH]c1=O ZINC000061595929 519925430 /nfs/dbraw/zinc/92/54/30/519925430.db2.gz OVUPAVCPLRMMJP-MRVPVSSYSA-N 1 0 296.371 2.462 10 0 CEAERO CCN(C(=O)Cc1cc(C)ccc1C)[C@H]1CCC[NH2+]C1 ZINC000053142095 519930182 /nfs/dbraw/zinc/93/01/82/519930182.db2.gz OKGXXBONLXSZPZ-INIZCTEOSA-N 1 0 274.408 2.446 10 0 CEAERO CCC[NH2+]C[C@H](C)[C@H]1CS(=O)(=O)c2ccccc21 ZINC000052965738 519931295 /nfs/dbraw/zinc/93/12/95/519931295.db2.gz FBFKCWIBVSLXLE-WCQYABFASA-N 1 0 267.394 2.193 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N(C)[C@@H](C)c1ccccc1OC ZINC000061236194 519932166 /nfs/dbraw/zinc/93/21/66/519932166.db2.gz HPBDWAUIUDENJI-OLZOCXBDSA-N 1 0 278.396 2.460 10 0 CEAERO CCN(C(=O)Cc1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC000052945293 519932150 /nfs/dbraw/zinc/93/21/50/519932150.db2.gz IRJNCNFFPAAIFE-UHFFFAOYSA-N 1 0 280.799 2.483 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000061267009 519937537 /nfs/dbraw/zinc/93/75/37/519937537.db2.gz AVJHVGIOBLUOTF-GHMZBOCLSA-N 1 0 252.333 2.249 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1cc2c(cc1Cl)NC(=O)C2 ZINC000061231755 519939150 /nfs/dbraw/zinc/93/91/50/519939150.db2.gz KDGKETIWIZLXOX-MRVPVSSYSA-N 1 0 295.770 2.019 10 0 CEAERO CCC[NH2+]C[C@H]1CC[C@H](Cn2nc(C)cc2C)O1 ZINC000052575917 519940012 /nfs/dbraw/zinc/94/00/12/519940012.db2.gz IEKNTIMCDAAFCY-ZIAGYGMSSA-N 1 0 251.374 2.047 10 0 CEAERO CC[NH2+]C[C@@H](C)c1nc2cc(OC)c(OC)cc2[nH]1 ZINC000061219405 519944752 /nfs/dbraw/zinc/94/47/52/519944752.db2.gz GSJUEABJFDATOA-SECBINFHSA-N 1 0 263.341 2.293 10 0 CEAERO CC[NH2+]C[C@@H](Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000052950354 519945934 /nfs/dbraw/zinc/94/59/34/519945934.db2.gz GHRLXGAHNQUDBG-UONOGXRCSA-N 1 0 299.411 2.029 10 0 CEAERO CCC[NH2+]Cc1ccc(OC)c(OCCCC(=O)NC)c1 ZINC000068816232 519949615 /nfs/dbraw/zinc/94/96/15/519949615.db2.gz NNPJHFOUFICDGP-UHFFFAOYSA-N 1 0 294.395 2.100 10 0 CEAERO CC[NH2+]C[C@@H](c1ccccc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000052380926 519949762 /nfs/dbraw/zinc/94/97/62/519949762.db2.gz JPLLKUPDADHGJO-LZWOXQAQSA-N 1 0 262.397 2.446 10 0 CEAERO CCC[NH2+]Cc1ccc(N2CCO[C@H](CC)C2)nc1 ZINC000051444656 519950742 /nfs/dbraw/zinc/95/07/42/519950742.db2.gz HYUIWMXPJWOPQB-CQSZACIVSA-N 1 0 263.385 2.196 10 0 CEAERO CC[NH2+]C[C@@H]1C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000054590614 519955535 /nfs/dbraw/zinc/95/55/35/519955535.db2.gz NRTBFCRAIQRTQE-RYUDHWBXSA-N 1 0 265.353 2.425 10 0 CEAERO CC(C)n1cc(NC(=O)CC[C@H]2CCCC[NH2+]2)cn1 ZINC000061683560 519961573 /nfs/dbraw/zinc/96/15/73/519961573.db2.gz UGFWVWRVTXGMPC-GFCCVEGCSA-N 1 0 264.373 2.325 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)NCc1ccccc1Cl ZINC000061227511 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266.385 2.225 10 0 CEAERO CC[NH2+][C@@](C)(C[C@@H](C)Oc1ccccc1OCC)C(N)=O ZINC000068655389 520141235 /nfs/dbraw/zinc/14/12/35/520141235.db2.gz HVMKCLHPHXUZKQ-WBMJQRKESA-N 1 0 294.395 2.096 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1ccc2oc(C)nc2c1 ZINC000061273788 520170243 /nfs/dbraw/zinc/17/02/43/520170243.db2.gz ZPIQLMGJZJVZIN-SECBINFHSA-N 1 0 261.325 2.463 10 0 CEAERO CCCNc1cccc(C(=O)N2CCC[C@@H]2C[NH+](C)C)n1 ZINC000061656007 520172382 /nfs/dbraw/zinc/17/23/82/520172382.db2.gz BVWWETHVYOPBLL-CYBMUJFWSA-N 1 0 290.411 2.070 10 0 CEAERO CCCCC[N@H+](CC[C@@H]([NH2+]CC)C(=O)[O-])C(C)C ZINC000062463210 520174377 /nfs/dbraw/zinc/17/43/77/520174377.db2.gz GJLMXBAVRSQNTQ-CYBMUJFWSA-N 1 0 258.406 2.340 10 0 CEAERO CC[NH2+][C@H](C)c1cnc(N2CCOC(C)(C)C2)s1 ZINC000054904549 520181635 /nfs/dbraw/zinc/18/16/35/520181635.db2.gz VFDQKNYQKLMTNM-SNVBAGLBSA-N 1 0 269.414 2.429 10 0 CEAERO CC[NH2+][C@H](C)c1nnc(-c2ccc3c(c2)OCCO3)o1 ZINC000050618814 520183127 /nfs/dbraw/zinc/18/31/27/520183127.db2.gz KQJYWYUMEPEDJM-SECBINFHSA-N 1 0 275.308 2.178 10 0 CEAERO CCCNc1ncc(C(=O)NC[C@H](C)[NH+](C)C)cc1Cl ZINC000050780024 520189719 /nfs/dbraw/zinc/18/97/19/520189719.db2.gz LELJSFABYQCJIP-JTQLQIEISA-N 1 0 298.818 2.237 10 0 CEAERO CCCNc1ncccc1C(=O)NCCC[NH+](CC)CC ZINC000050728669 520192948 /nfs/dbraw/zinc/19/29/48/520192948.db2.gz BQQNIISVJNUTKD-UHFFFAOYSA-N 1 0 292.427 2.365 10 0 CEAERO CCCNc1ncccc1C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000061655992 520193018 /nfs/dbraw/zinc/19/30/18/520193018.db2.gz BEZHKUGEGJMRHN-ZDUSSCGKSA-N 1 0 290.411 2.070 10 0 CEAERO CC[NH2+][C@H](c1cc(C)ccc1OC)[C@@H]1COCCO1 ZINC000055300884 520206239 /nfs/dbraw/zinc/20/62/39/520206239.db2.gz HVBUBHNZEQVIRV-LSDHHAIUSA-N 1 0 265.353 2.070 10 0 CEAERO CC[NH2+][C@H](c1ccc(Cl)s1)[C@@H]1COCCO1 ZINC000055300154 520208405 /nfs/dbraw/zinc/20/84/05/520208405.db2.gz KOMCAIXWMZSGRX-KWQFWETISA-N 1 0 261.774 2.468 10 0 CEAERO CCN[C@](C)(C[C@H](C)[N@H+](CC)C1CCCCC1)C(N)=O ZINC000068617660 520239929 /nfs/dbraw/zinc/23/99/29/520239929.db2.gz ISUUMWVUPVBCPV-XJKSGUPXSA-N 1 0 283.460 2.273 10 0 CEAERO CC[NH2+][C@](CSCc1ccccc1C)(C(N)=O)C1CC1 ZINC000069189790 520252165 /nfs/dbraw/zinc/25/21/65/520252165.db2.gz JMNPVQFQBPMCNE-INIZCTEOSA-N 1 0 292.448 2.472 10 0 CEAERO CCO[C@@H](C[NH3+])CCn1ccnc1-c1cccs1 ZINC000062741466 520309155 /nfs/dbraw/zinc/30/91/55/520309155.db2.gz DQIGJRLUPBNDDD-LLVKDONJSA-N 1 0 265.382 2.366 10 0 CEAERO CCNc1ccnc(C(=O)N(CC[NH+](C)C)CC(C)C)c1 ZINC000050774376 520343198 /nfs/dbraw/zinc/34/31/98/520343198.db2.gz FQFQNQSHJPMCFR-UHFFFAOYSA-N 1 0 292.427 2.173 10 0 CEAERO CCNc1ncccc1CN1CC[NH+](CC(C)C)CC1 ZINC000055081545 520379025 /nfs/dbraw/zinc/37/90/25/520379025.db2.gz OZIXAKYPXZKXIS-UHFFFAOYSA-N 1 0 276.428 2.287 10 0 CEAERO CC[N@H+](CC(C)C)C[C@](NC1CC1)(C(=O)OC)C1CC1 ZINC000069096777 520412284 /nfs/dbraw/zinc/41/22/84/520412284.db2.gz OQJBOBRABKPRJQ-MRXNPFEDSA-N 1 0 282.428 2.038 10 0 CEAERO CCCOc1cccc(C(=O)N[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000061668076 520444209 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521676850 /nfs/dbraw/zinc/67/68/50/521676850.db2.gz CQBAOKZLBMUDFT-OLZOCXBDSA-N 1 0 252.402 2.413 10 0 CEAERO CCC1(CC)CC[NH+](CC[C@](C)(NC)C(=O)OC)CC1 ZINC000062956388 521687723 /nfs/dbraw/zinc/68/77/23/521687723.db2.gz KXPCCUXCDDCZER-HNNXBMFYSA-N 1 0 284.444 2.430 10 0 CEAERO CC[NH+]1CCN(Cc2nc3sccc3c(Cl)n2)CC1 ZINC000050839772 521689828 /nfs/dbraw/zinc/68/98/28/521689828.db2.gz MBSZQABWCKRSTD-UHFFFAOYSA-N 1 0 296.827 2.482 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]C)[C@@H]1c1ccc2ncccc2c1 ZINC000070287943 521706532 /nfs/dbraw/zinc/70/65/32/521706532.db2.gz BFUBJELTKABMPL-IRXDYDNUSA-N 1 0 285.391 2.216 10 0 CEAERO CCSc1ccccc1NC(=O)CN1CCC[NH2+]CC1 ZINC000061271590 521774205 /nfs/dbraw/zinc/77/42/05/521774205.db2.gz JKZFQCFRBHCTQK-UHFFFAOYSA-N 1 0 293.436 2.032 10 0 CEAERO CC(C)(C)CCOc1cncc(N2CC[NH2+]CC2)c1 ZINC000070488139 534589014 /nfs/dbraw/zinc/58/90/14/534589014.db2.gz QOLBIHUBFUCEAC-UHFFFAOYSA-N 1 0 263.385 2.306 10 0 CEAERO CC[C@@H](C(=O)N1[C@@H](C)C[NH2+]C[C@@H]1C)c1ccccc1 ZINC000069132834 521826859 /nfs/dbraw/zinc/82/68/59/521826859.db2.gz YQJHKCNZDMCFDB-KCQAQPDRSA-N 1 0 260.381 2.389 10 0 CEAERO CCc1ccccc1C[NH2+][C@H](C)CN1CCOCC1 ZINC000052201130 521843195 /nfs/dbraw/zinc/84/31/95/521843195.db2.gz PVVGMWFLULPUEL-CQSZACIVSA-N 1 0 262.397 2.059 10 0 CEAERO CC[C@H](C)[C@@H]1CN(Cc2cn3ccccc3n2)CC[NH2+]1 ZINC000068694494 521892275 /nfs/dbraw/zinc/89/22/75/521892275.db2.gz DMMGKEKVDRFZGY-ZFWWWQNUSA-N 1 0 272.396 2.154 10 0 CEAERO CC[C@H](C)[C@@H]1C[NH2+][C@H](C(C)C)CN1Cc1ncccn1 ZINC000068703053 521895282 /nfs/dbraw/zinc/89/52/82/521895282.db2.gz GDPGPNWJXLRVAS-KKUMJFAQSA-N 1 0 276.428 2.321 10 0 CEAERO C[NH2+]C(C)(C)c1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000061151391 521946131 /nfs/dbraw/zinc/94/61/31/521946131.db2.gz QRTUFXRCYUSYKN-UHFFFAOYSA-N 1 0 277.324 2.208 10 0 CEAERO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CCCCn1ccnc1 ZINC000054602835 521952499 /nfs/dbraw/zinc/95/24/99/521952499.db2.gz WMXDGPTZZNJOGP-MQVJKMGUSA-N 1 0 276.428 2.268 10 0 CEAERO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1csc(C)n1 ZINC000054629105 521956814 /nfs/dbraw/zinc/95/68/14/521956814.db2.gz WVYWFHUMBPFPSG-VGPLMAKISA-N 1 0 251.399 2.166 10 0 CEAERO C[NH2+]CC1(CN(C)Cc2cccs2)CCOCC1 ZINC000052181583 521965342 /nfs/dbraw/zinc/96/53/42/521965342.db2.gz QGXJIPPPCSOOTH-UHFFFAOYSA-N 1 0 268.426 2.196 10 0 CEAERO C[NH2+]CCN(C)CC(=O)c1cc(Cl)sc1Cl ZINC000069801304 522005137 /nfs/dbraw/zinc/00/51/37/522005137.db2.gz LDTIKCFPOOIJPG-UHFFFAOYSA-N 1 0 281.208 2.389 10 0 CEAERO C[NH2+]CC[C@H](C)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000052443462 522018890 /nfs/dbraw/zinc/01/88/90/522018890.db2.gz YZGPGUHOMFPLDH-ZDUSSCGKSA-N 1 0 281.831 2.460 10 0 CEAERO CC[C@H](C)c1ccccc1OCC[C@H]([NH2+]C)C(N)=O ZINC000062551082 522047995 /nfs/dbraw/zinc/04/79/95/522047995.db2.gz RNASOCXZEGKPHM-AAEUAGOBSA-N 1 0 264.369 2.042 10 0 CEAERO C[NH2+]C[C@@H]1CC[C@@H](CN(C)c2cccc(F)c2)O1 ZINC000052544554 522060020 /nfs/dbraw/zinc/06/00/20/522060020.db2.gz ICEXWKJJVNFAIM-KBPBESRZSA-N 1 0 252.333 2.029 10 0 CEAERO C[NH2+]C[C@H](C)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000052418993 522070772 /nfs/dbraw/zinc/07/07/72/522070772.db2.gz NAMLGBKXNWXGTL-ZDUSSCGKSA-N 1 0 281.831 2.318 10 0 CEAERO C[NH2+]C[C@H](OC[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000050501679 522076379 /nfs/dbraw/zinc/07/63/79/522076379.db2.gz CPPAIEFUWBHXRU-RISCZKNCSA-N 1 0 253.317 2.139 10 0 CEAERO C[NH2+]C[C@H]1OCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000070284416 522098805 /nfs/dbraw/zinc/09/88/05/522098805.db2.gz XRADNRYOFBMVBU-CHWSQXEVSA-N 1 0 288.313 2.297 10 0 CEAERO C[NH2+]Cc1c2ccccc2oc1CN1CCOC[C@@H]1C ZINC000052476009 522099297 /nfs/dbraw/zinc/09/92/97/522099297.db2.gz CSGXILLAMFZBLF-LBPRGKRZSA-N 1 0 274.364 2.373 10 0 CEAERO C[NH2+]Cc1cc2ccccc2nc1-n1ccc(C)n1 ZINC000052884756 522114575 /nfs/dbraw/zinc/11/45/75/522114575.db2.gz WSUHENLXNZEQGA-UHFFFAOYSA-N 1 0 252.321 2.448 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(Cc2ccc(N)c(C)c2)CC1 ZINC000055083460 522126139 /nfs/dbraw/zinc/12/61/39/522126139.db2.gz CJXYCPQJFMOBEV-CQSZACIVSA-N 1 0 261.413 2.493 10 0 CEAERO C[NH2+]Cc1ccccc1OCCOCC(F)(F)F ZINC000049310607 522140025 /nfs/dbraw/zinc/14/00/25/522140025.db2.gz RUGXKDGCLNEXME-UHFFFAOYSA-N 1 0 263.259 2.364 10 0 CEAERO C[NH2+]Cc1cnc(N2CCN(c3ccccc3)CC2)s1 ZINC000054901385 522149042 /nfs/dbraw/zinc/14/90/42/522149042.db2.gz NOGTXZZETJVXCU-UHFFFAOYSA-N 1 0 288.420 2.189 10 0 CEAERO C[NH2+]Cc1cnn(Cc2cccc(Br)c2)c1 ZINC000054719130 522149842 /nfs/dbraw/zinc/14/98/42/522149842.db2.gz KYLCTKWNFQWFDE-UHFFFAOYSA-N 1 0 280.169 2.413 10 0 CEAERO CC[C@H](C[NH2+]C1CC1)n1nnc(-c2ccccc2)n1 ZINC000052574750 522194846 /nfs/dbraw/zinc/19/48/46/522194846.db2.gz UYLQOYSAEOTDIL-CYBMUJFWSA-N 1 0 257.341 2.043 10 0 CEAERO COC[C@@H](C)N(C)Cc1csc(C[NH2+]CC(C)C)n1 ZINC000052511282 522219973 /nfs/dbraw/zinc/21/99/73/522219973.db2.gz LFVFTDWWEMIHNU-GFCCVEGCSA-N 1 0 285.457 2.355 10 0 CEAERO COc1cc(C)ccc1NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000062856315 522271290 /nfs/dbraw/zinc/27/12/90/522271290.db2.gz FWJWRWKYAHBYNB-HNNXBMFYSA-N 1 0 262.353 2.332 10 0 CEAERO CC[C@H]([NH3+])Cc1cnn(CCOCCC(C)C)c1 ZINC000054741635 522334693 /nfs/dbraw/zinc/33/46/93/522334693.db2.gz WCBGEIMCUYQWMD-AWEZNQCLSA-N 1 0 253.390 2.226 10 0 CEAERO CC[C@H]([NH3+])[C@@H](SC1CCOCC1)c1cnn(C)c1 ZINC000062054073 522337526 /nfs/dbraw/zinc/33/75/26/522337526.db2.gz GLEWUVPGQBVOOR-STQMWFEESA-N 1 0 269.414 2.111 10 0 CEAERO CN(C)c1nccc(N(CCC[NH3+])C2CCCCCC2)n1 ZINC000068689997 522359231 /nfs/dbraw/zinc/35/92/31/522359231.db2.gz VWLMCVRZKAOZKU-UHFFFAOYSA-N 1 0 291.443 2.421 10 0 CEAERO C[NH2+][C@@H](c1ccco1)c1ccc2c(c1)CCC(=O)N2C ZINC000062806508 522371586 /nfs/dbraw/zinc/37/15/86/522371586.db2.gz XWOAGTSUWXPNFI-MRXNPFEDSA-N 1 0 270.332 2.497 10 0 CEAERO COc1cc(CN2CCC[C@H]2C[NH3+])ccc1OC(F)F ZINC000156177150 522378412 /nfs/dbraw/zinc/37/84/12/522378412.db2.gz DIOHDRKBGIKJHZ-NSHDSACASA-N 1 0 286.322 2.220 10 0 CEAERO CCc1nc(N(C)C(C)C)sc1C[NH2+]CCOC ZINC000054995840 522379100 /nfs/dbraw/zinc/37/91/00/522379100.db2.gz ATZOBLGAJFCXHM-UHFFFAOYSA-N 1 0 271.430 2.286 10 0 CEAERO CCc1nc(N(C)C2CC2)sc1C[NH2+]CCOC ZINC000054996459 522379258 /nfs/dbraw/zinc/37/92/58/522379258.db2.gz LOMVKGYQVGWHFU-UHFFFAOYSA-N 1 0 269.414 2.040 10 0 CEAERO CCc1nc(NC(=O)[C@](C)([NH3+])C2CC2)sc1C ZINC000049184684 522404866 /nfs/dbraw/zinc/40/48/66/522404866.db2.gz AJTDCFVJEIPAFB-GFCCVEGCSA-N 1 0 253.371 2.080 10 0 CEAERO C[NH2+][C@@](C)(CCCCOC1CCCCCC1)C(N)=O ZINC000045465064 522405285 /nfs/dbraw/zinc/40/52/85/522405285.db2.gz QBUQTQGBNLYPPS-HNNXBMFYSA-N 1 0 270.417 2.360 10 0 CEAERO C[NH2+][C@@](C)(C[C@@H](C)Oc1cc(C)cc(C)c1C)C(N)=O ZINC000068657197 522415876 /nfs/dbraw/zinc/41/58/76/522415876.db2.gz HRZOCIOHBMYIRL-WBMJQRKESA-N 1 0 278.396 2.233 10 0 CEAERO C[NH2+][C@@](COc1ccc(C(C)C)cc1)(C(N)=O)C1CC1 ZINC000069197020 522431118 /nfs/dbraw/zinc/43/11/18/522431118.db2.gz PHMIXWLIQCVACZ-MRXNPFEDSA-N 1 0 276.380 2.042 10 0 CEAERO C[NH2+][C@@](COc1cccc2ccccc21)(C(N)=O)C1CC1 ZINC000069197726 522431242 /nfs/dbraw/zinc/43/12/42/522431242.db2.gz ZGWFMMLKQVQRLU-QGZVFWFLSA-N 1 0 284.359 2.072 10 0 CEAERO C[NH2+][C@H](C)C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000052395616 522438019 /nfs/dbraw/zinc/43/80/19/522438019.db2.gz BLCNBGMWQSCQHG-DTWKUNHWSA-N 1 0 285.185 2.234 10 0 CEAERO C[NH2+][C@H](C)c1ccc(F)cc1OCC(=O)NC(C)C ZINC000062746596 522446691 /nfs/dbraw/zinc/44/66/91/522446691.db2.gz ZUPZBVRBLVPBMI-SNVBAGLBSA-N 1 0 268.332 2.010 10 0 CEAERO C[NH2+][C@H](C)c1ccc(OC[C@@H](O)C(F)(F)F)cc1 ZINC000068876366 522448654 /nfs/dbraw/zinc/44/86/54/522448654.db2.gz CAPYBWOINRWUMV-LDYMZIIASA-N 1 0 263.259 2.269 10 0 CEAERO C[NH2+][C@H](CN1CCc2cc(OC)c(OC)cc2C1)C1CC1 ZINC000069073691 522468322 /nfs/dbraw/zinc/46/83/22/522468322.db2.gz QULPNYTZFDVPOQ-OAHLLOKOSA-N 1 0 290.407 2.060 10 0 CEAERO C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CCOCC1 ZINC000061671648 522482980 /nfs/dbraw/zinc/48/29/80/522482980.db2.gz SGQKWHGNQDCZKO-HNNXBMFYSA-N 1 0 263.337 2.145 10 0 CEAERO C[NH2+][C@H](c1cnccn1)c1cncc2ccccc21 ZINC000069269840 522485461 /nfs/dbraw/zinc/48/54/61/522485461.db2.gz ACRXCCYQKZQHCF-HNNXBMFYSA-N 1 0 250.305 2.334 10 0 CEAERO CC[C@@H](CC[NH3+])N1C(=O)CC2(CCCCC2)CC1=O ZINC000054162069 522496734 /nfs/dbraw/zinc/49/67/34/522496734.db2.gz MEIYXZDMJRTQQO-LBPRGKRZSA-N 1 0 266.385 2.213 10 0 CEAERO C[NH2+][C@H]1CCC[C@H]1CN(CC(F)(F)F)C1CC1 ZINC000053871062 522499621 /nfs/dbraw/zinc/49/96/21/522499621.db2.gz MEBJXLCCJXBAHL-ONGXEEELSA-N 1 0 250.308 2.401 10 0 CEAERO C[NH2+][C@H]1CCN(Cc2ccccc2C(F)(F)F)C1=O ZINC000061626929 522502545 /nfs/dbraw/zinc/50/25/45/522502545.db2.gz LYZMFDKTZCQGND-NSHDSACASA-N 1 0 272.270 2.026 10 0 CEAERO C[NH2+][C@H]1CCc2c1cccc2OCC(=O)N(C)C(C)C ZINC000062799408 522505894 /nfs/dbraw/zinc/50/58/94/522505894.db2.gz YTWYFDRPCOMTSG-AWEZNQCLSA-N 1 0 276.380 2.139 10 0 CEAERO C[NH2+][C@H]1CCc2c1cccc2OC[C@H](O)COC(C)C ZINC000070099600 522505923 /nfs/dbraw/zinc/50/59/23/522505923.db2.gz YQMVMIBRGIQIOY-DOMZBBRYSA-N 1 0 279.380 2.058 10 0 CEAERO CC[C@H](NC(=O)c1ccc(NN)[nH+]c1)C1CCCCC1 ZINC000052345123 522536206 /nfs/dbraw/zinc/53/62/06/522536206.db2.gz ZNWHWLWAOHCXKK-ZDUSSCGKSA-N 1 0 276.384 2.456 10 0 CEAERO CNc1c(F)cccc1C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000055085386 522545275 /nfs/dbraw/zinc/54/52/75/522545275.db2.gz WUYZVXDQWALRGD-UHFFFAOYSA-N 1 0 293.386 2.281 10 0 CEAERO CN(CC(F)(F)F)C(=O)[C@@H]1CCC[C@H](CC[NH3+])C1 ZINC000055148079 522573516 /nfs/dbraw/zinc/57/35/16/522573516.db2.gz CVQCIDIHVFTBLB-NXEZZACHSA-N 1 0 266.307 2.162 10 0 CEAERO CNc1ccc(C)cc1C(=O)N[C@H](C)CC[NH+](C)C ZINC000053004954 522603721 /nfs/dbraw/zinc/60/37/21/522603721.db2.gz SMFJZORHXLCRHU-GFCCVEGCSA-N 1 0 263.385 2.107 10 0 CEAERO COC[C@H](C)O[C@H](c1ccccc1OC)[C@@H](C)[NH3+] ZINC000070204330 522635838 /nfs/dbraw/zinc/63/58/38/522635838.db2.gz UPPUOHCNGPGUFK-WDMOLILDSA-N 1 0 253.342 2.135 10 0 CEAERO CC[C@@H]([NH3+])Cc1cnc(-c2ccc(OC)c(OC)c2)nc1 ZINC000054858273 522644414 /nfs/dbraw/zinc/64/44/14/522644414.db2.gz CNJFFDXKAYGPDG-CYBMUJFWSA-N 1 0 287.363 2.441 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cnn(C)c1)N1CCC(C)(C)CC1 ZINC000061818334 522656018 /nfs/dbraw/zinc/65/60/18/522656018.db2.gz NRETZMOIWMRXKD-KGLIPLIRSA-N 1 0 264.417 2.321 10 0 CEAERO COC1CCN([C@H](C[NH3+])c2cc(F)c(F)c(F)c2)CC1 ZINC000062709898 522706466 /nfs/dbraw/zinc/70/64/66/522706466.db2.gz CQDZFGDOBCAFGS-CYBMUJFWSA-N 1 0 288.313 2.215 10 0 CEAERO CNc1ncccc1C[N@H+](CCOC)[C@H](C)C1CC1 ZINC000052728510 522709311 /nfs/dbraw/zinc/70/93/11/522709311.db2.gz YWWNKDPZJBYZSU-GFCCVEGCSA-N 1 0 263.385 2.370 10 0 CEAERO CC[C@H]([NH2+][C@H](C)C(=O)NCCOC)C1CCCCC1 ZINC000052340014 522728817 /nfs/dbraw/zinc/72/88/17/522728817.db2.gz QOOHOQFMFKQEPK-OCCSQVGLSA-N 1 0 270.417 2.086 10 0 CEAERO COC[C@H](O)COc1ccc(Cl)cc1C[NH2+]C(C)C ZINC000069053453 522809175 /nfs/dbraw/zinc/80/91/75/522809175.db2.gz YOGUGGSUWAEOBJ-ZDUSSCGKSA-N 1 0 287.787 2.224 10 0 CEAERO COC(=O)C1(C[NH2+]C[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000188676022 522830418 /nfs/dbraw/zinc/83/04/18/522830418.db2.gz JLFGDZVYXUPHPI-GFCCVEGCSA-N 1 0 277.364 2.342 10 0 CEAERO CN(CC[NH2+]C1CC1)c1ncccc1C(F)(F)F ZINC000053707042 522863365 /nfs/dbraw/zinc/86/33/65/522863365.db2.gz HLFWOTFXNLJWCM-UHFFFAOYSA-N 1 0 259.275 2.289 10 0 CEAERO CC[C@H](Oc1ccc(Cl)cc1[C@H](C)[NH2+]C)C(N)=O ZINC000061676046 522873841 /nfs/dbraw/zinc/87/38/41/522873841.db2.gz KXHVPZJAFKIAMZ-KWQFWETISA-N 1 0 270.760 2.263 10 0 CEAERO COc1cc(OC)cc([C@H](O)[C@H]([NH3+])Cc2ccccc2)c1 ZINC000054685625 522883637 /nfs/dbraw/zinc/88/36/37/522883637.db2.gz IGVNKNBZPIWUQC-SJORKVTESA-N 1 0 287.359 2.307 10 0 CEAERO COc1cc([C@@H]([NH3+])c2cncnc2)cc(Cl)c1OC ZINC000052887272 522912428 /nfs/dbraw/zinc/91/24/28/522912428.db2.gz NMMRROFMTXDLCR-GFCCVEGCSA-N 1 0 279.727 2.195 10 0 CEAERO CC[C@@H]([NH2+][C@H](C)C(=O)NCCOC)C1CCCCC1 ZINC000052340017 522930105 /nfs/dbraw/zinc/93/01/05/522930105.db2.gz QOOHOQFMFKQEPK-TZMCWYRMSA-N 1 0 270.417 2.086 10 0 CEAERO C[N@H+](CCc1ccncc1)C[C@](C)(N)c1ccccc1 ZINC000052883359 522977461 /nfs/dbraw/zinc/97/74/61/522977461.db2.gz SOEKUVLAAGSQOO-KRWDZBQOSA-N 1 0 269.392 2.430 10 0 CEAERO COc1cc2c(cc1OC)CN([C@@H]1CCCC[NH2+]C1)CC2 ZINC000054134896 523031749 /nfs/dbraw/zinc/03/17/49/523031749.db2.gz FWQFQPGWSYYQTP-OAHLLOKOSA-N 1 0 290.407 2.204 10 0 CEAERO CC[C@H]1CCCCN1c1c(C[NH2+]CCOC)c(C)nn1C ZINC000062735183 523032723 /nfs/dbraw/zinc/03/27/23/523032723.db2.gz YLBAFGODKGZFSB-AWEZNQCLSA-N 1 0 294.443 2.233 10 0 CEAERO CC[C@@H](Oc1ccc(Cl)cc1[C@@H](C)[NH2+]C)C(N)=O ZINC000061676045 523043088 /nfs/dbraw/zinc/04/30/88/523043088.db2.gz KXHVPZJAFKIAMZ-LDYMZIIASA-N 1 0 270.760 2.263 10 0 CEAERO CC[C@H]1CCCC[C@@H]1OC[C@]([NH2+]C1CC1)(C(N)=O)C1CC1 ZINC000069195866 523050800 /nfs/dbraw/zinc/05/08/00/523050800.db2.gz AGRJNYZTHTYFJQ-YLQAJVPDSA-N 1 0 294.439 2.358 10 0 CEAERO COC(=O)CCOc1ccc(CC[NH3+])cc1C(F)(F)F ZINC000069319022 523106118 /nfs/dbraw/zinc/10/61/18/523106118.db2.gz XNOKGCOFPPGDSA-UHFFFAOYSA-N 1 0 291.269 2.149 10 0 CEAERO COC(=O)CCOc1ccccc1C[NH2+]CC(C)C ZINC000069317524 523106889 /nfs/dbraw/zinc/10/68/89/523106889.db2.gz MAJKZVORKDHIJG-UHFFFAOYSA-N 1 0 265.353 2.374 10 0 CEAERO CC[C@@H]1CCCC[C@@H]1n1nnnc1C[NH2+]C(C)C ZINC000054748042 523208968 /nfs/dbraw/zinc/20/89/68/523208968.db2.gz PRHWMNKVTKXVRO-NEPJUHHUSA-N 1 0 251.378 2.312 10 0 CEAERO COCCCN(C)c1ccc(C(N)=[NH2+])cc1Cl ZINC000062794332 523232834 /nfs/dbraw/zinc/23/28/34/523232834.db2.gz XJXWQDRXGDXHJJ-UHFFFAOYSA-N 1 0 255.749 2.097 10 0 CEAERO COCCCN(CCOC)c1ccc(Cl)cc1C(N)=[NH2+] ZINC000052860147 523260429 /nfs/dbraw/zinc/26/04/29/523260429.db2.gz GFTBMWGWMRWIDK-UHFFFAOYSA-N 1 0 299.802 2.113 10 0 CEAERO CN(Cc1ccc(O)cc1)C(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000061612201 523267181 /nfs/dbraw/zinc/26/71/81/523267181.db2.gz GTGQHMVIIZBYQR-INIZCTEOSA-N 1 0 284.359 2.093 10 0 CEAERO COC(=O)C[C@H]1CCCC[N@H+]1[C@@H]1CCC[C@@H](OC)C1 ZINC000070338979 523344044 /nfs/dbraw/zinc/34/40/44/523344044.db2.gz ZGAKBGOQZPOJKL-MGPQQGTHSA-N 1 0 269.385 2.362 10 0 CEAERO CCn1cc(C[C@@H]([NH3+])Cc2cc(F)cc(F)c2)cn1 ZINC000050543092 523393642 /nfs/dbraw/zinc/39/36/42/523393642.db2.gz YLMWHBGKRUBYQA-AWEZNQCLSA-N 1 0 265.307 2.294 10 0 CEAERO CC[C@@H]1CN(CC2(C[NH2+]C(C)(C)C)CCOCC2)CCO1 ZINC000052181692 523438676 /nfs/dbraw/zinc/43/86/76/523438676.db2.gz FVSJPZKILWFIFB-OAHLLOKOSA-N 1 0 298.471 2.282 10 0 CEAERO CCn1cccc1C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063198250 523501430 /nfs/dbraw/zinc/50/14/30/523501430.db2.gz SPDBNTPPHIJULD-AWEZNQCLSA-N 1 0 275.396 2.112 10 0 CEAERO COc1ccc(Br)cc1N1CC[C@@H](C[NH3+])C1 ZINC000049568715 523503008 /nfs/dbraw/zinc/50/30/08/523503008.db2.gz YBPNVONSCNHNDK-VIFPVBQESA-N 1 0 285.185 2.243 10 0 CEAERO CC[C@@H]1CO[C@@H](C)CN1c1nc(C)c([C@@H](C)[NH3+])s1 ZINC000054898141 523510234 /nfs/dbraw/zinc/51/02/34/523510234.db2.gz NLWYECRMOWJASB-IQJOONFLSA-N 1 0 269.414 2.475 10 0 CEAERO CC[C@@H]1CO[C@H](C)CN1Cc1cc(C[NH2+]C)c(C)o1 ZINC000052570901 523516818 /nfs/dbraw/zinc/51/68/18/523516818.db2.gz ABCCAKXZNCJHDW-BXUZGUMPSA-N 1 0 266.385 2.307 10 0 CEAERO CO[C@@H](c1nnc(CC[NH2+]C(C)C)o1)c1ccccc1 ZINC000050620283 523551563 /nfs/dbraw/zinc/55/15/63/523551563.db2.gz HXIJEBMHXZHGSA-CQSZACIVSA-N 1 0 275.352 2.346 10 0 CEAERO COC(=O)[C@@H](C)Oc1c(C[NH2+]CC(C)C)cccc1OC ZINC000062732343 523553029 /nfs/dbraw/zinc/55/30/29/523553029.db2.gz CMWPKMJLVAQRRU-GFCCVEGCSA-N 1 0 295.379 2.381 10 0 CEAERO COC(=O)[C@@H](CC[N@H+](C)[C@@H](C)C(C)(C)C)NC(C)C ZINC000062456768 523571973 /nfs/dbraw/zinc/57/19/73/523571973.db2.gz XKJVQXPKQOZFNC-QWHCGFSZSA-N 1 0 272.433 2.283 10 0 CEAERO COCC[N@H+](C)CCNc1ccc(N)cc1C(F)(F)F ZINC000061378028 523615170 /nfs/dbraw/zinc/61/51/70/523615170.db2.gz NLRCHDWJUQDPAM-UHFFFAOYSA-N 1 0 291.317 2.278 10 0 CEAERO CC[C@@](C)(C[NH2+]CC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000054661708 523639894 /nfs/dbraw/zinc/63/98/94/523639894.db2.gz SQHHSOULBLUEFC-STQMWFEESA-N 1 0 261.431 2.083 10 0 CEAERO COCCN(CCOC)Cc1ccoc1C[NH2+]C(C)(C)C ZINC000052571516 523719762 /nfs/dbraw/zinc/71/97/62/523719762.db2.gz OAQWCERSSYUJPX-UHFFFAOYSA-N 1 0 298.427 2.263 10 0 CEAERO COc1ccc(C(C)=O)cc1CN1[C@@H](C)C[NH2+]C[C@@H]1C ZINC000069134365 523793189 /nfs/dbraw/zinc/79/31/89/523793189.db2.gz VICLHWODVHFOTK-RYUDHWBXSA-N 1 0 276.380 2.080 10 0 CEAERO C[N@@H+]1CCCN(c2cccc(Cl)c2C(N)=S)CC1 ZINC000052904389 523813062 /nfs/dbraw/zinc/81/30/62/523813062.db2.gz MRTVYRCJQDDWMG-UHFFFAOYSA-N 1 0 283.828 2.116 10 0 CEAERO CO[C@H](C(=O)NCc1ccc(C[NH3+])cc1)c1ccccc1 ZINC000050436886 523829092 /nfs/dbraw/zinc/82/90/92/523829092.db2.gz ARCXEWSFBVHLFL-INIZCTEOSA-N 1 0 284.359 2.149 10 0 CEAERO CC[C@H](C)C[N@H+](C)Cc1ccnc(C(N)=S)c1 ZINC000068751944 523869108 /nfs/dbraw/zinc/86/91/08/523869108.db2.gz FPPYDTPZNHPRSG-JTQLQIEISA-N 1 0 251.399 2.194 10 0 CEAERO COC(=O)[C@H](C)Oc1ccc(C[NH2+]C(C)C)cc1OC ZINC000049850813 523887138 /nfs/dbraw/zinc/88/71/38/523887138.db2.gz UDASUAXRQBYPBX-NSHDSACASA-N 1 0 281.352 2.134 10 0 CEAERO CN(C(=O)Nc1ccccc1F)[C@@H]1CCC[NH2+]CC1 ZINC000226459510 523889733 /nfs/dbraw/zinc/88/97/33/523889733.db2.gz FWNAPSPFDSVCLE-LLVKDONJSA-N 1 0 265.332 2.432 10 0 CEAERO COCCNC(=O)CC[NH2+]Cc1ccc2ccccc2c1 ZINC000067221367 523889881 /nfs/dbraw/zinc/88/98/81/523889881.db2.gz LAOBCPZNIYJRPX-UHFFFAOYSA-N 1 0 286.375 2.082 10 0 CEAERO COC(=O)[C@H](C)n1c(N)[nH+]c2cccc(Cl)c21 ZINC000049360981 523891131 /nfs/dbraw/zinc/89/11/31/523891131.db2.gz ARPUYZUZILUSAZ-LURJTMIESA-N 1 0 253.689 2.006 10 0 CEAERO CN(C(=O)[C@H]1CC12CC[NH2+]CC2)c1cccc(F)c1 ZINC000070256017 523906196 /nfs/dbraw/zinc/90/61/96/523906196.db2.gz OSVTWJUPGDZSBS-CYBMUJFWSA-N 1 0 262.328 2.178 10 0 CEAERO CC[C@H](C)Cn1nc(C)c(C[NH2+]CCOC)c1C ZINC000054717700 523907727 /nfs/dbraw/zinc/90/77/27/523907727.db2.gz VRSHXWXWNNWOEX-NSHDSACASA-N 1 0 253.390 2.282 10 0 CEAERO COCC[NH2+]C[C@]1(Cc2ccc(OC)c(F)c2)CCOC1 ZINC000054666204 523946029 /nfs/dbraw/zinc/94/60/29/523946029.db2.gz RAWAWNJFWPXHFV-MRXNPFEDSA-N 1 0 297.370 2.020 10 0 CEAERO COCC[NH2+]C[C@]1(Cc2cc(F)ccc2F)CCOC1 ZINC000054666553 523946328 /nfs/dbraw/zinc/94/63/28/523946328.db2.gz MLFPXHGQIWKEBG-OAHLLOKOSA-N 1 0 285.334 2.150 10 0 CEAERO COCC[NH2+]Cc1cc(C)nc(CCC(C)C)n1 ZINC000054832673 523948487 /nfs/dbraw/zinc/94/84/87/523948487.db2.gz ZVTRSTXGHXCPKQ-UHFFFAOYSA-N 1 0 251.374 2.110 10 0 CEAERO COCC[NH2+]Cc1c(OC[C@@H](C)O)ccc2ccccc21 ZINC000062732178 523949337 /nfs/dbraw/zinc/94/93/37/523949337.db2.gz YWXXDEYDKJFKAI-CYBMUJFWSA-N 1 0 289.375 2.335 10 0 CEAERO CC[C@H](C)[NH+]1CCN(C(=O)c2cc(C)ccc2N)CC1 ZINC000055085271 523949739 /nfs/dbraw/zinc/94/97/39/523949739.db2.gz BDJDRIGKUUCGFT-ZDUSSCGKSA-N 1 0 275.396 2.134 10 0 CEAERO CC[C@H](C)N1CC[NH+](C[C@@H]2CCCCC2=O)CC1 ZINC000055071468 523954030 /nfs/dbraw/zinc/95/40/30/523954030.db2.gz DTQVAQVTBWVQGF-KBPBESRZSA-N 1 0 252.402 2.162 10 0 CEAERO COCC[NH2+]Cc1ccccc1N(CCOC)C1CC1 ZINC000062737392 523955839 /nfs/dbraw/zinc/95/58/39/523955839.db2.gz SVMITJZQTMNXSB-UHFFFAOYSA-N 1 0 278.396 2.038 10 0 CEAERO CC[C@H](C)[NH+]1CCN(C[C@H]2CNc3ccccc3O2)CC1 ZINC000055083412 523955949 /nfs/dbraw/zinc/95/59/49/523955949.db2.gz IMXMKEHIHYVFGB-LSDHHAIUSA-N 1 0 289.423 2.276 10 0 CEAERO CC[C@H](C)[NH+]1CCN(Cc2ccc(NC)nc2)CC1 ZINC000055071170 523957005 /nfs/dbraw/zinc/95/70/05/523957005.db2.gz VPIGYIPTQLADKE-ZDUSSCGKSA-N 1 0 262.401 2.039 10 0 CEAERO COCC[NH2+]Cc1nc(-c2ccc(F)cc2)c(C)[nH]1 ZINC000069236650 523957521 /nfs/dbraw/zinc/95/75/21/523957521.db2.gz NMOMLFRZWYQIGQ-UHFFFAOYSA-N 1 0 263.316 2.260 10 0 CEAERO COCC[NH2+]Cc1sc(N(C)CC(F)(F)F)nc1C ZINC000054998067 523958736 /nfs/dbraw/zinc/95/87/36/523958736.db2.gz WHVPRUAYALDJGQ-UHFFFAOYSA-N 1 0 297.346 2.186 10 0 CEAERO CC[C@H](C)[NH+]1CCN(c2c(N)ccc(F)c2F)CC1 ZINC000055066656 523961116 /nfs/dbraw/zinc/96/11/16/523961116.db2.gz NEUGALKWPBKPOC-JTQLQIEISA-N 1 0 269.339 2.468 10 0 CEAERO CO[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(C)cc1 ZINC000050373577 523980700 /nfs/dbraw/zinc/98/07/00/523980700.db2.gz SGHQACOVESOXPF-KBPBESRZSA-N 1 0 262.353 2.091 10 0 CEAERO COC(=O)[C@](C)(C[C@@H](C)[NH+]1CCC(C)CC1)NC(C)C ZINC000068618567 523999705 /nfs/dbraw/zinc/99/97/05/523999705.db2.gz TVZVCCYZQXSLCQ-ZBFHGGJFSA-N 1 0 284.444 2.427 10 0 CEAERO COC(=O)[C@](C[NH+]1CCC(C)(C)CC1)(NC1CC1)C1CC1 ZINC000069232020 524004425 /nfs/dbraw/zinc/00/44/25/524004425.db2.gz VOUQUXRQTHOEPU-QGZVFWFLSA-N 1 0 294.439 2.182 10 0 CEAERO CC[C@H](C)[NH2+][C@]1(C(N)=O)CCCc2sccc21 ZINC000061329944 524005877 /nfs/dbraw/zinc/00/58/77/524005877.db2.gz ODGDOADINUSIFM-TVQRCGJNSA-N 1 0 252.383 2.153 10 0 CEAERO C[NH+](C)C1CCN(c2nc3c(s2)C(=O)CCC3)CC1 ZINC000054862201 524040906 /nfs/dbraw/zinc/04/09/06/524040906.db2.gz ZQTMGCQHWUURFN-UHFFFAOYSA-N 1 0 279.409 2.193 10 0 CEAERO CCc1cccc(C)c1NS(=O)(=O)C[C@@H]1CCC[NH2+]C1 ZINC000049632361 524066364 /nfs/dbraw/zinc/06/63/64/524066364.db2.gz GWHLHXHMMOCJCW-CYBMUJFWSA-N 1 0 296.436 2.299 10 0 CEAERO Cc1ccc(C)c(CC(=O)NC[C@H]2CCC[C@H](C)[NH2+]2)c1 ZINC000053142331 524093204 /nfs/dbraw/zinc/09/32/04/524093204.db2.gz WGWAMFODMWCLQU-GOEBONIOSA-N 1 0 274.408 2.493 10 0 CEAERO COc1ccc(COCC2CC[NH2+]CC2)cc1F ZINC000051815027 524110990 /nfs/dbraw/zinc/11/09/90/524110990.db2.gz SCAASCJFNXINCL-UHFFFAOYSA-N 1 0 253.317 2.351 10 0 CEAERO Cc1cc(C(=O)N[C@@H](C)[C@H]2CCCC[NH2+]2)ccc1F ZINC000063056140 524121135 /nfs/dbraw/zinc/12/11/35/524121135.db2.gz QHUIJKDTCSKVNY-SMDDNHRTSA-N 1 0 264.344 2.395 10 0 CEAERO C[C@H]1CCC[NH2+][C@H]1C(=O)N(C)CC1CCCCC1 ZINC000051793551 524125841 /nfs/dbraw/zinc/12/58/41/524125841.db2.gz PNMSARBFOVWDCU-GXTWGEPZSA-N 1 0 252.402 2.413 10 0 CEAERO C[C@H](CC[NH3+])N(C)C(=O)c1ccccc1OC(F)F ZINC000063085742 524172510 /nfs/dbraw/zinc/17/25/10/524172510.db2.gz NVPQVQHTCWTNPV-SECBINFHSA-N 1 0 272.295 2.097 10 0 CEAERO C[C@H](CC[NH2+]C1CC1)N1CCN(c2ccccc2)CC1 ZINC000052417354 524194609 /nfs/dbraw/zinc/19/46/09/524194609.db2.gz UTRREPGEJGRCFL-OAHLLOKOSA-N 1 0 273.424 2.339 10 0 CEAERO COc1ccc(Cl)cc1C[C@@]1(C[NH3+])CCOC1 ZINC000054637664 524213907 /nfs/dbraw/zinc/21/39/07/524213907.db2.gz NBJLDNNLDYTWEO-CYBMUJFWSA-N 1 0 255.745 2.257 10 0 CEAERO C[C@@H](C(=O)Nc1ccccc1)N1[C@@H](C[NH3+])CCC[C@@H]1C ZINC000070156944 524274615 /nfs/dbraw/zinc/27/46/15/524274615.db2.gz YPMAWNSZXUUUJU-KCQAQPDRSA-N 1 0 275.396 2.215 10 0 CEAERO Cc1cccc(C)c1NC(=O)c1cc[nH+]c(NN)c1 ZINC000051112600 524297776 /nfs/dbraw/zinc/29/77/76/524297776.db2.gz OSRYIPIONRBAPX-UHFFFAOYSA-N 1 0 256.309 2.236 10 0 CEAERO C[C@H](C[NH+]1CCCC1)NCC(=O)Nc1ccccc1Cl ZINC000049180349 524315714 /nfs/dbraw/zinc/31/57/14/524315714.db2.gz AXOZZYJIVGZBBF-GFCCVEGCSA-N 1 0 295.814 2.352 10 0 CEAERO C[C@H](C[NH+]1CCCC1)N1C(=S)N=NC1c1cccnc1 ZINC000049184528 524322355 /nfs/dbraw/zinc/32/23/55/524322355.db2.gz WBIZSVHVDSJEIH-LLVKDONJSA-N 1 0 289.408 2.286 10 0 CEAERO C[C@H]1CC[C@@H](NC(=O)CCOC2CC[NH2+]CC2)C[C@@H]1C ZINC000068584404 524363328 /nfs/dbraw/zinc/36/33/28/524363328.db2.gz PFEJDNCHFDXOBU-MELADBBJSA-N 1 0 282.428 2.086 10 0 CEAERO C[C@@H]1CCC[C@H](CNC(=O)c2cccc(F)c2)[NH2+]1 ZINC000051572981 524381946 /nfs/dbraw/zinc/38/19/46/524381946.db2.gz QKRMFWYMXNKMGI-ZWNOBZJWSA-N 1 0 250.317 2.086 10 0 CEAERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(Cl)cc1N ZINC000050443138 524389830 /nfs/dbraw/zinc/38/98/30/524389830.db2.gz ARFOSESMCWBTEG-ONGXEEELSA-N 1 0 281.787 2.008 10 0 CEAERO C[C@@H]1CCC[C@H](NC(=O)C2CCC(C[NH3+])CC2)C1 ZINC000055147039 524394851 /nfs/dbraw/zinc/39/48/51/524394851.db2.gz MQJJJYQVGCKKCO-RYSNWHEDSA-N 1 0 252.402 2.446 10 0 CEAERO C[C@@H](CC[NH+](C)C)Nc1ccc(N)c(OCC2CC2)n1 ZINC000049555354 524479826 /nfs/dbraw/zinc/47/98/26/524479826.db2.gz BUIRHLLDPKWBDH-NSHDSACASA-N 1 0 278.400 2.205 10 0 CEAERO C[C@@H]1CCN(C(=O)c2c(F)cccc2Cl)C[C@H]1[NH3+] ZINC000070146237 524480440 /nfs/dbraw/zinc/48/04/40/524480440.db2.gz DEJIRIPLCZNLIN-LDYMZIIASA-N 1 0 270.735 2.288 10 0 CEAERO COc1ccccc1C[C@H](C)NC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000062856262 524508632 /nfs/dbraw/zinc/50/86/32/524508632.db2.gz FJTDVZGIUAISLI-SUMWQHHRSA-N 1 0 290.407 2.132 10 0 CEAERO C[C@H](CNc1ncnc2c1CCC2)[NH+]1CCCCC1 ZINC000061276937 524515105 /nfs/dbraw/zinc/51/51/05/524515105.db2.gz SBZWMBPRPJHAPP-GFCCVEGCSA-N 1 0 260.385 2.252 10 0 CEAERO COc1ccccc1Cc1ncc2c(n1)CCC[C@@H]2[NH3+] ZINC000050094094 524518433 /nfs/dbraw/zinc/51/84/33/524518433.db2.gz AYSBWLUXANGBMO-ZDUSSCGKSA-N 1 0 269.348 2.412 10 0 CEAERO Cc1cc(C)n(C[C@H]2CC[C@H](C[NH2+]CC(C)C)O2)n1 ZINC000052575933 524535977 /nfs/dbraw/zinc/53/59/77/524535977.db2.gz ANMPHLCJFAJFMC-HUUCEWRRSA-N 1 0 265.401 2.293 10 0 CEAERO C[C@@H]1CC[C@@H](C(=O)N(CC[NH+](C)C)c2ccccc2)O1 ZINC000151081440 524553276 /nfs/dbraw/zinc/55/32/76/524553276.db2.gz HNESNWQXAYMCOI-HIFRSBDPSA-N 1 0 276.380 2.149 10 0 CEAERO C[C@@H](C[NH3+])CN(C)C(=O)[C@H]1CCCc2ccccc21 ZINC000054668373 524581779 /nfs/dbraw/zinc/58/17/79/524581779.db2.gz ZBWOBVPNPIDGQP-WFASDCNBSA-N 1 0 260.381 2.160 10 0 CEAERO C[C@@H]1CC[C@@H](CN2C(=O)CC3(CCCC3)CC2=O)C[NH2+]1 ZINC000062037628 524588864 /nfs/dbraw/zinc/58/88/64/524588864.db2.gz UCCLSSQFKZUWES-CHWSQXEVSA-N 1 0 278.396 2.084 10 0 CEAERO C[C@@H](C[NH+]1CCCC1)N1C(=S)N=NC1c1ccncc1 ZINC000049184525 524595241 /nfs/dbraw/zinc/59/52/41/524595241.db2.gz OLQKJYDQRULWNX-NSHDSACASA-N 1 0 289.408 2.286 10 0 CEAERO C[C@H](C[C@@](C)(NC1CC1)C(N)=O)[N@H+](C)CC1CCCCC1 ZINC000068638490 524629841 /nfs/dbraw/zinc/62/98/41/524629841.db2.gz GIHKBGUVMLZRAD-CXAGYDPISA-N 1 0 295.471 2.273 10 0 CEAERO Cc1cc(CC[NH3+])nc(-c2cc(F)c(F)c(F)c2)n1 ZINC000054833796 524638553 /nfs/dbraw/zinc/63/85/53/524638553.db2.gz GGHSQPDMEZYZRV-UHFFFAOYSA-N 1 0 267.254 2.371 10 0 CEAERO C[C@H]1CN(c2nc(C[NH3+])cc3ccccc32)CCCO1 ZINC000061935283 524675302 /nfs/dbraw/zinc/67/53/02/524675302.db2.gz JWCNNDPLFYUALP-LBPRGKRZSA-N 1 0 271.364 2.309 10 0 CEAERO C[C@@H]1CC[C@H](CNC(=O)Nc2ccccc2F)C[NH2+]1 ZINC000062037327 524677033 /nfs/dbraw/zinc/67/70/33/524677033.db2.gz XVGYCBOXNOCMRD-MNOVXSKESA-N 1 0 265.332 2.335 10 0 CEAERO Cc1cc(CN2CCO[C@H]3CCCC[C@@H]32)oc1C[NH3+] ZINC000052573144 524699389 /nfs/dbraw/zinc/69/93/89/524699389.db2.gz FHHANTFCYJNLCE-KBPBESRZSA-N 1 0 264.369 2.190 10 0 CEAERO C[C@@H](CNC(=O)c1ccc(Cl)c(N)c1)C[NH+]1CCCC1 ZINC000059930791 524717193 /nfs/dbraw/zinc/71/71/93/524717193.db2.gz BXWPNBJEJBQNEJ-NSHDSACASA-N 1 0 295.814 2.384 10 0 CEAERO C[C@H](Cc1ccco1)[NH2+][C@H](CO)Cc1ccccc1 ZINC000063219035 524747793 /nfs/dbraw/zinc/74/77/93/524747793.db2.gz QTLUOEJEIVBVPU-HIFRSBDPSA-N 1 0 259.349 2.404 10 0 CEAERO C[C@@H](CN[C@@H]1COc2cc(O)ccc21)C[NH+]1CCCC1 ZINC000062077548 524750558 /nfs/dbraw/zinc/75/05/58/524750558.db2.gz FQMPAIFWBOXXQG-SWLSCSKDSA-N 1 0 276.380 2.147 10 0 CEAERO Cc1cc(C[NH2+]C2CC2)nc(N2CCCCCC2)n1 ZINC000054831850 524752897 /nfs/dbraw/zinc/75/28/97/524752897.db2.gz GMHZDBNAVRXIFV-UHFFFAOYSA-N 1 0 260.385 2.417 10 0 CEAERO C[C@H]([NH3+])[C@@](O)(c1ccc(F)c(F)c1F)C(F)(F)F ZINC000062784773 524847733 /nfs/dbraw/zinc/84/77/33/524847733.db2.gz YESHPFDKCCHYAN-AJAUBTJJSA-N 1 0 273.176 2.201 10 0 CEAERO C[C@H]([NH3+])c1cnc(N2CCN(c3ccccc3)CC2)s1 ZINC000054864481 524868576 /nfs/dbraw/zinc/86/85/76/524868576.db2.gz SAGJFMSXPUBHIL-LBPRGKRZSA-N 1 0 288.420 2.489 10 0 CEAERO C[C@@H](Cc1ccco1)NC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000052881879 524926376 /nfs/dbraw/zinc/92/63/76/524926376.db2.gz PEFCCAWJSPLNAT-BLLLJJGKSA-N 1 0 272.348 2.201 10 0 CEAERO C[C@@H]([NH3+])Cc1nc(-c2ccc3ncccc3c2)no1 ZINC000062801494 525000873 /nfs/dbraw/zinc/00/08/73/525000873.db2.gz COUDKIAZOGFJSJ-SECBINFHSA-N 1 0 254.293 2.175 10 0 CEAERO C[C@@H]([NH3+])c1cc(Cl)ccc1O[C@H](C)C(=O)NC1CC1 ZINC000050209213 525023728 /nfs/dbraw/zinc/02/37/28/525023728.db2.gz QCRBDFRQPDQVPF-RKDXNWHRSA-N 1 0 282.771 2.406 10 0 CEAERO COc1ncccc1-c1nnc(C[NH2+]C(C)(C)C)o1 ZINC000061446884 525032233 /nfs/dbraw/zinc/03/22/33/525032233.db2.gz MUGJVEVHSVAJRP-UHFFFAOYSA-N 1 0 262.313 2.028 10 0 CEAERO C[C@@H]1CN(Cc2[nH+]c(NN)ccc2Cl)CC(C)(C)O1 ZINC000061638325 525032390 /nfs/dbraw/zinc/03/23/90/525032390.db2.gz ODCSXUFPWOSGRJ-SECBINFHSA-N 1 0 284.791 2.020 10 0 CEAERO Cc1ccccc1C(=O)CN1CC[NH+](CC(C)C)CC1 ZINC000055080190 525040858 /nfs/dbraw/zinc/04/08/58/525040858.db2.gz FODGGUDEWZUYDA-UHFFFAOYSA-N 1 0 274.408 2.451 10 0 CEAERO Cc1cc(N)cnc1N[C@H](CC(C)C)C[NH+](C)C ZINC000052813191 525041179 /nfs/dbraw/zinc/04/11/79/525041179.db2.gz HFEMYMYRBDPGLR-CYBMUJFWSA-N 1 0 250.390 2.360 10 0 CEAERO Cc1ccc(NC(=O)COCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000051917733 525065951 /nfs/dbraw/zinc/06/59/51/525065951.db2.gz VYKDSDUCBKLPMA-AWEZNQCLSA-N 1 0 276.380 2.340 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C)N1Cc1cccc2cccnc21 ZINC000069134945 525097327 /nfs/dbraw/zinc/09/73/27/525097327.db2.gz BZVDMPIXZPYKRW-CHWSQXEVSA-N 1 0 255.365 2.417 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H](C)N1C(=O)c1nccc2ccccc21 ZINC000069132926 525100779 /nfs/dbraw/zinc/10/07/79/525100779.db2.gz DJSFWFBKRGQVSA-TXEJJXNPSA-N 1 0 269.348 2.057 10 0 CEAERO C[C@@H]1COCCN1[C@@H](C[NH2+]C1CC1)c1ccccc1 ZINC000052476132 525129411 /nfs/dbraw/zinc/12/94/11/525129411.db2.gz MSIVQPHJKHTQOE-CJNGLKHVSA-N 1 0 260.381 2.200 10 0 CEAERO C[C@H](NC(=O)[C@@H]1[NH2+]CCC[C@@H]1C)C1CCCCC1 ZINC000052343600 525156813 /nfs/dbraw/zinc/15/68/13/525156813.db2.gz BVIIIYPQPKJJPY-SGMGOOAPSA-N 1 0 252.402 2.460 10 0 CEAERO C[C@H](NC(=O)[C@H]1[NH2+]CCC[C@H]1C)C1CCCCC1 ZINC000052343595 525186036 /nfs/dbraw/zinc/18/60/36/525186036.db2.gz BVIIIYPQPKJJPY-DYEKYZERSA-N 1 0 252.402 2.460 10 0 CEAERO C[C@](O)(c1cncc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000069266300 525186824 /nfs/dbraw/zinc/18/68/24/525186824.db2.gz FJVRNVMGAIKANC-XJKSGUPXSA-N 1 0 256.349 2.442 10 0 CEAERO COc1ccc([C@@H]([NH3+])[C@@H]2CCOC2)c(Br)c1 ZINC000048626256 525193193 /nfs/dbraw/zinc/19/31/93/525193193.db2.gz XDWMDQCBIOTRBC-PELKAZGASA-N 1 0 286.169 2.494 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1CC[NH2+]C1)c1cccc(Br)c1 ZINC000062113240 525272678 /nfs/dbraw/zinc/27/26/78/525272678.db2.gz FFVVLUKELUDSIV-MWLCHTKSSA-N 1 0 297.196 2.236 10 0 CEAERO COc1ccc([C@@](C)(O)C[NH2+]C(C)(C)C)c(OC)c1 ZINC000055033284 525283638 /nfs/dbraw/zinc/28/36/38/525283638.db2.gz CCUZISNZGLJGQC-HNNXBMFYSA-N 1 0 267.369 2.299 10 0 CEAERO COc1ccc([C@@](C)(O)C[NH2+]CC(C)C)cc1F ZINC000055033483 525284123 /nfs/dbraw/zinc/28/41/23/525284123.db2.gz LTWJEXMHSXHVNA-AWEZNQCLSA-N 1 0 255.333 2.287 10 0 CEAERO COc1ccc([C@@](C)(O)C[NH2+]C(C)(C)C)cc1F ZINC000055033314 525284214 /nfs/dbraw/zinc/28/42/14/525284214.db2.gz SPZTZTAVXAJILR-AWEZNQCLSA-N 1 0 255.333 2.430 10 0 CEAERO C[C@@H]1C[C@H](C(=O)NCC2CCCCC2)CC[C@@H]1[NH3+] ZINC000055127146 525360619 /nfs/dbraw/zinc/36/06/19/525360619.db2.gz WZJOAFILDLOMDB-BNOWGMLFSA-N 1 0 252.402 2.446 10 0 CEAERO COc1ccc([C@H]([NH3+])C2CCOCC2)c(OC)c1 ZINC000061671376 525363686 /nfs/dbraw/zinc/36/36/86/525363686.db2.gz QQCUGYOLSLIARY-CQSZACIVSA-N 1 0 251.326 2.130 10 0 CEAERO COc1ccc([C@H](O)[C@@H]([NH3+])Cc2ccccc2)c(OC)c1 ZINC000054686251 525378021 /nfs/dbraw/zinc/37/80/21/525378021.db2.gz JMCYIFZVBPAFQN-RDJZCZTQSA-N 1 0 287.359 2.307 10 0 CEAERO C[C@@H]([NH2+]CC1CCN(C(=O)C(C)(C)C)CC1)[C@H]1CCCO1 ZINC000161947196 525426485 /nfs/dbraw/zinc/42/64/85/525426485.db2.gz FPZVJIOJXYAZIR-UKRRQHHQSA-N 1 0 296.455 2.428 10 0 CEAERO C[C@@H]([NH2+]Cc1cc(F)cc2c1OCOC2)[C@H]1CCCO1 ZINC000183190583 525514803 /nfs/dbraw/zinc/51/48/03/525514803.db2.gz LKEGOBXPWIRNQC-QMTHXVAHSA-N 1 0 281.327 2.349 10 0 CEAERO Cc1cc([C@H](C[NH3+])N2CCOCC2(C)C)ccc1F ZINC000050546291 525536968 /nfs/dbraw/zinc/53/69/68/525536968.db2.gz XOYUYCBDTATROC-AWEZNQCLSA-N 1 0 266.360 2.245 10 0 CEAERO C[C@@H]([NH2+]Cc1ccccc1C(F)(F)F)C(=O)NC1CC1 ZINC000061626708 525538604 /nfs/dbraw/zinc/53/86/04/525538604.db2.gz YIWZQWUONSSPAW-SECBINFHSA-N 1 0 286.297 2.462 10 0 CEAERO Cc1cccnc1NC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000061611010 525542478 /nfs/dbraw/zinc/54/24/78/525542478.db2.gz LCZQAQFRDZYVSS-CYBMUJFWSA-N 1 0 255.321 2.071 10 0 CEAERO CSC[C@@H](C)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000069444173 525619094 /nfs/dbraw/zinc/61/90/94/525619094.db2.gz BKBRMCUAUNFWMT-CYDGBPFRSA-N 1 0 270.442 2.022 10 0 CEAERO C[C@H](Nc1ccc(Cl)cc1C(N)=O)[C@H]1CCC[NH2+]C1 ZINC000052858780 525651303 /nfs/dbraw/zinc/65/13/03/525651303.db2.gz XROPUPDRXNVJSV-UWVGGRQHSA-N 1 0 281.787 2.239 10 0 CEAERO CSC[C@H](C)C[NH2+]C1CN(C(=O)OC(C)(C)C)C1 ZINC000069435667 525680531 /nfs/dbraw/zinc/68/05/31/525680531.db2.gz UQPZWZFIWHAUQE-SNVBAGLBSA-N 1 0 274.430 2.194 10 0 CEAERO CSC[C@H](C)C[NH2+][C@H](C)C(=O)NCCC(C)C ZINC000069447585 525682998 /nfs/dbraw/zinc/68/29/98/525682998.db2.gz MCVPPYHQZGOFRP-VXGBXAGGSA-N 1 0 260.447 2.126 10 0 CEAERO Cc1cc2ncnn2c(N2CCC[C@H]2C[NH2+]CC(C)C)c1 ZINC000053697386 525685338 /nfs/dbraw/zinc/68/53/38/525685338.db2.gz BCIQIUIUXGTRFX-AWEZNQCLSA-N 1 0 287.411 2.252 10 0 CEAERO C[C@@H](Nc1ncnc2ccsc21)[C@H]1CCC[NH2+]C1 ZINC000050163936 525734740 /nfs/dbraw/zinc/73/47/40/525734740.db2.gz UFRLTLGIJPCTQR-ZJUUUORDSA-N 1 0 262.382 2.491 10 0 CEAERO C[C@@H]1c2ccsc2CCN1C(=O)c1ccc(NN)[nH+]c1 ZINC000051094665 525735997 /nfs/dbraw/zinc/73/59/97/525735997.db2.gz YBIKQQWRPIAICF-SECBINFHSA-N 1 0 288.376 2.188 10 0 CEAERO C[C@@]([NH3+])(C(=O)NCc1ccc(F)cc1F)c1ccccc1 ZINC000052883146 525746080 /nfs/dbraw/zinc/74/60/80/525746080.db2.gz RKVWQDCKMOWQKA-INIZCTEOSA-N 1 0 290.313 2.455 10 0 CEAERO Cc1c(Cl)cccc1NS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000049640668 525779540 /nfs/dbraw/zinc/77/95/40/525779540.db2.gz WVBRDAKSNXEKOX-JTQLQIEISA-N 1 0 288.800 2.142 10 0 CEAERO Cc1ccsc1C(=O)N1C[C@H](C[NH3+])CC[C@@H]1C ZINC000070179956 525821789 /nfs/dbraw/zinc/82/17/89/525821789.db2.gz YNTFFLFPTIGWQT-QWRGUYRKSA-N 1 0 252.383 2.256 10 0 CEAERO Cc1ccsc1[C@H](C[NH3+])Sc1n[nH]c(=O)n1C1CC1 ZINC000061594699 525889379 /nfs/dbraw/zinc/88/93/79/525889379.db2.gz RKJDICMMAAMQHG-VIFPVBQESA-N 1 0 296.421 2.068 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@]2(C)CCC[NH2+]C2)o1 ZINC000062854975 525908508 /nfs/dbraw/zinc/90/85/08/525908508.db2.gz BJTZXEJBSMCLIK-SMDDNHRTSA-N 1 0 250.342 2.155 10 0 CEAERO COc1cccc(CN2CC[NH2+][C@H](C3CCCCC3)C2)n1 ZINC000068693922 525948268 /nfs/dbraw/zinc/94/82/68/525948268.db2.gz LALPSXRQDHINDT-INIZCTEOSA-N 1 0 289.423 2.444 10 0 CEAERO Cc1ccc(=O)n(C[C@@H]([NH3+])c2ccc(C(C)C)cc2)n1 ZINC000061810409 525976603 /nfs/dbraw/zinc/97/66/03/525976603.db2.gz PTJFVJLKZYLIBY-OAHLLOKOSA-N 1 0 271.364 2.375 10 0 CEAERO Cc1ccc([C@H]([C@@H](C)[NH3+])N2CCn3ccnc3C2)cc1 ZINC000062245613 525981030 /nfs/dbraw/zinc/98/10/30/525981030.db2.gz MNNWWPJFXMJNGY-CJNGLKHVSA-N 1 0 270.380 2.096 10 0 CEAERO Cc1ccc(C(N)=[NH2+])c(OCc2ccccc2F)n1 ZINC000069284549 526012732 /nfs/dbraw/zinc/01/27/32/526012732.db2.gz ZXRPZLSAJJUQGQ-UHFFFAOYSA-N 1 0 259.284 2.392 10 0 CEAERO Cc1cnc(NC(=O)[C@](C)([NH3+])c2ccccc2)s1 ZINC000052881157 526086299 /nfs/dbraw/zinc/08/62/99/526086299.db2.gz DVHAVDDKAWKTRT-CYBMUJFWSA-N 1 0 261.350 2.264 10 0 CEAERO COc1cccc(N(C)c2cc(C(N)=[NH2+])ccn2)c1 ZINC000049969981 526132512 /nfs/dbraw/zinc/13/25/12/526132512.db2.gz UXDIDCAUUHPDON-UHFFFAOYSA-N 1 0 256.309 2.142 10 0 CEAERO C[C@H](C(=O)Nc1ccc(-c2cnco2)cc1)C1C[NH2+]C1 ZINC000164122534 526132936 /nfs/dbraw/zinc/13/29/36/526132936.db2.gz SAWRTDONKJJWGL-JTQLQIEISA-N 1 0 271.320 2.136 10 0 CEAERO Cc1ccc(C(=O)N2[C@H](C)CCC[C@H]2C[NH3+])s1 ZINC000070152114 526142573 /nfs/dbraw/zinc/14/25/73/526142573.db2.gz HMLOBPAOGUZFID-KOLCDFICSA-N 1 0 252.383 2.398 10 0 CEAERO Cc1ccc2c(c1)nc(CN1CCC[NH2+]CC1)n2C1CC1 ZINC000061145484 526218692 /nfs/dbraw/zinc/21/86/92/526218692.db2.gz RPXKYFFAIMHZHH-UHFFFAOYSA-N 1 0 284.407 2.475 10 0 CEAERO Cc1ccc(C(=O)[C@H](C)N(C)C2CC[NH2+]CC2)cc1 ZINC000050158792 526240711 /nfs/dbraw/zinc/24/07/11/526240711.db2.gz XMMQWTXYJGAIQI-ZDUSSCGKSA-N 1 0 260.381 2.250 10 0 CEAERO Cc1nn([C@H](C)C[C@](C)([NH2+]C(C)C)C(N)=O)c(C)c1C ZINC000068649131 526306233 /nfs/dbraw/zinc/30/62/33/526306233.db2.gz ULMZLEJDLXVXEI-BMIGLBTASA-N 1 0 280.416 2.001 10 0 CEAERO Fc1cc(F)cc(OCC[NH2+]C2CCOCC2)c1 ZINC000062768244 526308152 /nfs/dbraw/zinc/30/81/52/526308152.db2.gz MVURWUVKMLFGFE-UHFFFAOYSA-N 1 0 257.280 2.112 10 0 CEAERO Cc1csc(CNC[C@H](C[NH3+])c2ccccc2)n1 ZINC000061613673 526356660 /nfs/dbraw/zinc/35/66/60/526356660.db2.gz IFHFIARTFZJELT-ZDUSSCGKSA-N 1 0 261.394 2.284 10 0 CEAERO Cc1csc(C[C@@H]([NH3+])CCOCC(F)(F)F)n1 ZINC000055267889 526367300 /nfs/dbraw/zinc/36/73/00/526367300.db2.gz SVLJTJWATDRXBX-QMMMGPOBSA-N 1 0 268.304 2.290 10 0 CEAERO Fc1ccc2nc(CN3CCC[NH2+]CC3)n(C3CC3)c2c1 ZINC000061145569 526377140 /nfs/dbraw/zinc/37/71/40/526377140.db2.gz NPWOIOLXUAPONM-UHFFFAOYSA-N 1 0 288.370 2.306 10 0 CEAERO Fc1cccc(Cn2ccnc2C[NH2+]C2CC2)c1F ZINC000051015022 526393247 /nfs/dbraw/zinc/39/32/47/526393247.db2.gz RAHRAHXMWHRHDM-UHFFFAOYSA-N 1 0 263.291 2.462 10 0 CEAERO c1c(N2CC[NH2+]CC2)n[nH]c1-c1cc2ccccc2o1 ZINC000062669858 526401276 /nfs/dbraw/zinc/40/12/76/526401276.db2.gz HZYOQWJCUMAZBD-UHFFFAOYSA-N 1 0 268.320 2.233 10 0 CEAERO Cc1noc(C)c1C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063188936 526468730 /nfs/dbraw/zinc/46/87/30/526468730.db2.gz OKDLULBVLQBGGT-STQMWFEESA-N 1 0 277.368 2.038 10 0 CEAERO c1ccc([C@H]2CCN(CC[NH2+]C3CCOCC3)C2)cc1 ZINC000062767727 526497686 /nfs/dbraw/zinc/49/76/86/526497686.db2.gz YYUBHWHXVPDWSJ-INIZCTEOSA-N 1 0 274.408 2.245 10 0 CEAERO O=C(CC[C@@H]1CCCC[NH2+]1)NC[C@@H]1Cc2ccccc21 ZINC000050945249 526547944 /nfs/dbraw/zinc/54/79/44/526547944.db2.gz WGPFZQLSKNFDIZ-GJZGRUSLSA-N 1 0 272.392 2.365 10 0 CEAERO O=C(CC[C@H]1CCCC[NH2+]1)Nc1ccc2nccnc2c1 ZINC000050945668 526565460 /nfs/dbraw/zinc/56/54/60/526565460.db2.gz RSBXHPLJHDGAFK-GFCCVEGCSA-N 1 0 284.363 2.491 10 0 CEAERO c1nn(C[C@@H]2CC[C@H](C[NH2+]C3CC3)O2)c2ccccc12 ZINC000052574220 526619802 /nfs/dbraw/zinc/61/98/02/526619802.db2.gz PCBVRLHLNKHHJA-CABCVRRESA-N 1 0 271.364 2.336 10 0 CEAERO Cc1nc(-c2cnccn2)nc(C)c1C[NH2+]C(C)C ZINC000054854324 526620771 /nfs/dbraw/zinc/62/07/71/526620771.db2.gz IVBKLKAEQUPIOJ-UHFFFAOYSA-N 1 0 257.341 2.048 10 0 CEAERO O=C(c1ccc2c(c1)C[NH2+]C2)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000156711881 526723766 /nfs/dbraw/zinc/72/37/66/526723766.db2.gz FEXNTYZQFGNJBD-JKSUJKDBSA-N 1 0 286.375 2.073 10 0 CEAERO Cc1oc(CN2CCN(C)CC2)cc1C[NH2+]C(C)(C)C ZINC000052379317 526771037 /nfs/dbraw/zinc/77/10/37/526771037.db2.gz AKZSPNSGRGTYLI-UHFFFAOYSA-N 1 0 279.428 2.224 10 0 CEAERO Cc1nc(CC(F)(F)F)nc(C)c1CC[NH2+]C1CC1 ZINC000054853897 526802528 /nfs/dbraw/zinc/80/25/28/526802528.db2.gz OHPVOUWSINKAFU-UHFFFAOYSA-N 1 0 273.302 2.493 10 0 CEAERO NC(=[NH2+])c1cc(COc2cc(F)cc(F)c2)ccn1 ZINC000068762735 526819413 /nfs/dbraw/zinc/81/94/13/526819413.db2.gz DDMPXKGIDKIVIS-UHFFFAOYSA-N 1 0 263.247 2.223 10 0 CEAERO NC(=[NH2+])c1ccc(Cl)cc1N1CCO[C@H]2CCC[C@@H]21 ZINC000062788950 526821602 /nfs/dbraw/zinc/82/16/02/526821602.db2.gz TXNKYDJFXQZWKR-AAEUAGOBSA-N 1 0 279.771 2.382 10 0 CEAERO NC(=[NH2+])c1ccc(Cl)cc1-n1nnc(-c2ccccc2)n1 ZINC000062789029 526821765 /nfs/dbraw/zinc/82/17/65/526821765.db2.gz ZECCJZNKMTTXDP-UHFFFAOYSA-N 1 0 298.737 2.267 10 0 CEAERO Cc1nc(CN(C)C(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)cs1 ZINC000156151360 526833337 /nfs/dbraw/zinc/83/33/37/526833337.db2.gz JQWHKJLUOJFPPS-DGCLKSJQSA-N 1 0 295.452 2.436 10 0 CEAERO Cc1nc(CN(C)C[C@@H](C)C[NH2+]C2CC2)cs1 ZINC000052505761 526839818 /nfs/dbraw/zinc/83/98/18/526839818.db2.gz IZIOGMWVGCZDDT-JTQLQIEISA-N 1 0 253.415 2.271 10 0 CEAERO Cc1nc(Cc2ccccn2)nc(C)c1[C@H](C)C[NH3+] ZINC000054837063 526929180 /nfs/dbraw/zinc/92/91/80/526929180.db2.gz YGBCDSGWCKJIHE-SNVBAGLBSA-N 1 0 256.353 2.141 10 0 CEAERO Cc1nc(Cl)cc(NC[C@H]2CCCC[N@H+]2C)n1 ZINC000052837218 526935159 /nfs/dbraw/zinc/93/51/59/526935159.db2.gz XMYWOWPNLRLTMY-SNVBAGLBSA-N 1 0 254.765 2.335 10 0 CEAERO Cc1nc(Cl)cc(NC[C@@H]2CCCC[N@H+]2C)n1 ZINC000052837216 526935213 /nfs/dbraw/zinc/93/52/13/526935213.db2.gz XMYWOWPNLRLTMY-JTQLQIEISA-N 1 0 254.765 2.335 10 0 CEAERO NC(=O)[C@@H](CCSc1ccc2c(c1)CCC2)[NH2+]C1CC1 ZINC000062600478 526953220 /nfs/dbraw/zinc/95/32/20/526953220.db2.gz MKNITDFRXMUZHQ-OAHLLOKOSA-N 1 0 290.432 2.263 10 0 CEAERO O=C1CCCCC[C@@H]1[N@H+](CCO)Cc1ccccc1 ZINC000050514219 526970612 /nfs/dbraw/zinc/97/06/12/526970612.db2.gz GKSOENMWVKUJIP-HNNXBMFYSA-N 1 0 261.365 2.383 10 0 CEAERO NC(=O)c1ccc(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)c1 ZINC000062791330 527066639 /nfs/dbraw/zinc/06/66/39/527066639.db2.gz ACPLGAGBWDOCKD-ZACCUICWSA-N 1 0 279.771 2.134 10 0 CEAERO Cc1[nH+]c2cc(N)ccc2n1[C@H](C)Cn1cccn1 ZINC000052855507 527123404 /nfs/dbraw/zinc/12/34/04/527123404.db2.gz BTRVTPJFEOZUCB-SNVBAGLBSA-N 1 0 255.325 2.385 10 0 CEAERO [NH3+]C1CCC(C(=O)NCc2ccc(F)cc2F)CC1 ZINC000051017822 527139103 /nfs/dbraw/zinc/13/91/03/527139103.db2.gz LCSAXWSRTINGFA-UHFFFAOYSA-N 1 0 268.307 2.099 10 0 CEAERO [NH3+]CC1(C(=O)N2CCC[C@@H]2CCCO)CCCCCC1 ZINC000052763257 527162531 /nfs/dbraw/zinc/16/25/31/527162531.db2.gz FWHMZALXJDZHPS-CQSZACIVSA-N 1 0 282.428 2.049 10 0 CEAERO [NH3+]CCCN(c1ncnc2c1CCC2)C1CCCCC1 ZINC000061276280 527180844 /nfs/dbraw/zinc/18/08/44/527180844.db2.gz RZBFVCIRCDIWKC-UHFFFAOYSA-N 1 0 274.412 2.453 10 0 CEAERO [NH3+]CCCS(=O)(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000051040499 527182310 /nfs/dbraw/zinc/18/23/10/527182310.db2.gz FQFYUOXIDQHNPT-UHFFFAOYSA-N 1 0 290.388 2.444 10 0 CEAERO [NH3+]CCc1ccc(CNC(=O)c2ccccc2F)cc1 ZINC000052898901 527196648 /nfs/dbraw/zinc/19/66/48/527196648.db2.gz SRIVBOBNKKIBJP-UHFFFAOYSA-N 1 0 272.323 2.257 10 0 CEAERO [NH3+]CCc1cnc(-c2nccc3ccccc32)nc1 ZINC000069316295 527197750 /nfs/dbraw/zinc/19/77/50/527197750.db2.gz UCEMGDXEVJYBNX-UHFFFAOYSA-N 1 0 250.305 2.193 10 0 CEAERO [NH3+]CCc1cnn(Cc2cc(Br)ccc2F)c1 ZINC000054740847 527198010 /nfs/dbraw/zinc/19/80/10/527198010.db2.gz MWVULFLLNOJAGL-UHFFFAOYSA-N 1 0 298.159 2.334 10 0 CEAERO [NH3+]C[C@@H](C(=O)Nc1ccc(Cl)cn1)c1ccccc1 ZINC000061611067 527202566 /nfs/dbraw/zinc/20/25/66/527202566.db2.gz DMIZOQBSCCMELF-GFCCVEGCSA-N 1 0 275.739 2.416 10 0 CEAERO [NH3+]C[C@@H](c1cc2ccccc2o1)N1CCSCC1 ZINC000068810873 527205837 /nfs/dbraw/zinc/20/58/37/527205837.db2.gz UTUHGHCWOCWOSK-LBPRGKRZSA-N 1 0 262.378 2.481 10 0 CEAERO [NH3+]C[C@@H](Sc1ncnc2[nH]cnc21)c1cccc(F)c1 ZINC000051036077 527206660 /nfs/dbraw/zinc/20/66/60/527206660.db2.gz LZIPGDKSIHYAAG-SNVBAGLBSA-N 1 0 289.339 2.284 10 0 CEAERO O=C(Cc1ccc(Cl)cc1)N[C@H]1CCCC[NH2+]C1 ZINC000070120307 527223683 /nfs/dbraw/zinc/22/36/83/527223683.db2.gz NZNCXIIFQMDGQZ-ZDUSSCGKSA-N 1 0 266.772 2.141 10 0 CEAERO [NH3+]C[C@](O)(c1ccccc1C(F)(F)F)C(F)(F)F ZINC000062784713 527241813 /nfs/dbraw/zinc/24/18/13/527241813.db2.gz GZODXVMICZCNMX-QMMMGPOBSA-N 1 0 273.176 2.414 10 0 CEAERO [NH3+]Cc1cc(CN2c3ccccc3CCCC2=O)ccn1 ZINC000068750984 527247456 /nfs/dbraw/zinc/24/74/56/527247456.db2.gz MOAGXMRJZOWOKQ-UHFFFAOYSA-N 1 0 281.359 2.410 10 0 CEAERO [NH3+]Cc1cc(Cl)ccc1OC[C@@H](O)C(F)(F)F ZINC000068875784 527249202 /nfs/dbraw/zinc/24/92/02/527249202.db2.gz PYSVCDOLXJBRAX-SECBINFHSA-N 1 0 269.650 2.101 10 0 CEAERO [NH3+]Cc1cc2c(nc1Sc1nnc3ccccn31)CCC2 ZINC000061407138 527250897 /nfs/dbraw/zinc/25/08/97/527250897.db2.gz DPMUJPGIQYVQHG-UHFFFAOYSA-N 1 0 297.387 2.223 10 0 CEAERO [NH3+]Cc1ccc(F)cc1CN1CCO[C@H]2CCCC[C@@H]21 ZINC000069401482 527254755 /nfs/dbraw/zinc/25/47/55/527254755.db2.gz VMMVNAFACNNRSV-HOTGVXAUSA-N 1 0 278.371 2.428 10 0 CEAERO [NH3+]Cc1occc1CN1CCN(c2ccccc2F)CC1 ZINC000052374712 527269480 /nfs/dbraw/zinc/26/94/80/527269480.db2.gz KBMJHVCYZGXOFS-UHFFFAOYSA-N 1 0 289.354 2.200 10 0 CEAERO NNc1cc(C(=O)N(Cc2ccsc2)C2CC2)cc[nH+]1 ZINC000051115643 527271513 /nfs/dbraw/zinc/27/15/13/527271513.db2.gz WUHBMMKVUHQMLM-UHFFFAOYSA-N 1 0 288.376 2.234 10 0 CEAERO Cc1ncc(CNC[C@@](C)([NH3+])c2ccccc2)s1 ZINC000052883531 527272426 /nfs/dbraw/zinc/27/24/26/527272426.db2.gz YUGMZUNCPOIOIZ-CQSZACIVSA-N 1 0 261.394 2.415 10 0 CEAERO O=S1(=O)CCC[C@@H]([NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC000069136521 527301224 /nfs/dbraw/zinc/30/12/24/527301224.db2.gz YBVNRCGBANIQRR-OUAUKWLOSA-N 1 0 299.358 2.274 10 0 CEAERO O=S1(=O)CC[C@@H]([C@H](C[NH2+]C2CC2)Cc2ccsc2)C1 ZINC000052951721 527310085 /nfs/dbraw/zinc/31/00/85/527310085.db2.gz DUYBRIIQDPUYLU-OLZOCXBDSA-N 1 0 299.461 2.094 10 0 CEAERO [NH3+][C@@H](Cc1ccccc1)[C@H](O)c1ccc2c(c1)CCO2 ZINC000054685751 527338193 /nfs/dbraw/zinc/33/81/93/527338193.db2.gz FQTYRWAZUZGSHV-DOTOQJQBSA-N 1 0 269.344 2.225 10 0 CEAERO [NH3+][C@H](c1cc2c(cc1F)NC(=O)CC2)[C@@H]1CCCOC1 ZINC000062230950 527391261 /nfs/dbraw/zinc/39/12/61/527391261.db2.gz FBKFKJLAKJJBQX-BMIGLBTASA-N 1 0 278.327 2.137 10 0 CEAERO [NH3+][C@H]1CCCCC[C@@H]1NC(=O)c1cc(Cl)c[nH]1 ZINC000063211108 527394062 /nfs/dbraw/zinc/39/40/62/527394062.db2.gz SVCXAXAJICTMOU-UWVGGRQHSA-N 1 0 255.749 2.058 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1NC(=O)c1cc2c(s1)CCCC2 ZINC000063172390 527403935 /nfs/dbraw/zinc/40/39/35/527403935.db2.gz PMEUDFLTPAUXGH-QWRGUYRKSA-N 1 0 264.394 2.237 10 0 CEAERO Cc1nccn1CCOc1cccc2c1CC[C@H]2[NH3+] ZINC000062798271 527434811 /nfs/dbraw/zinc/43/48/11/527434811.db2.gz SJXHAHPEOVYYFJ-CQSZACIVSA-N 1 0 257.337 2.217 10 0 CEAERO Nc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](CO)C1 ZINC000050442984 527452092 /nfs/dbraw/zinc/45/20/92/527452092.db2.gz HLTDQCGKVJFVGK-JTQLQIEISA-N 1 0 254.761 2.127 10 0 CEAERO Cc1ncsc1CCOc1ccc2c(c1)OC[C@@H]2[NH3+] ZINC000062803615 527491570 /nfs/dbraw/zinc/49/15/70/527491570.db2.gz JHKSDCHINPESPY-LBPRGKRZSA-N 1 0 276.361 2.465 10 0 CEAERO Nc1ccnc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000061702191 527535509 /nfs/dbraw/zinc/53/55/09/527535509.db2.gz DCIVPDYUUSQIDX-OAHLLOKOSA-N 1 0 269.348 2.317 10 0 CEAERO Nc1nc2ccccc2cc1C[NH+]1CCC(CO)CC1 ZINC000050791819 527560833 /nfs/dbraw/zinc/56/08/33/527560833.db2.gz NMOFBKNWNFBRJJ-UHFFFAOYSA-N 1 0 271.364 2.021 10 0 CEAERO Nc1[nH+]c2cccc(Cl)c2n1C[C@H]1CCOC1 ZINC000061146976 527561292 /nfs/dbraw/zinc/56/12/92/527561292.db2.gz UCKBADCOSATSIO-MRVPVSSYSA-N 1 0 251.717 2.308 10 0 CEAERO Nc1nc2ccccc2cc1CN1CC[NH+](C2CC2)CC1 ZINC000050817937 527561421 /nfs/dbraw/zinc/56/14/21/527561421.db2.gz OHAHAHIBBHDJLT-UHFFFAOYSA-N 1 0 282.391 2.097 10 0 CEAERO OCc1cnc(N2CCC([NH+]3CCCCC3)CC2)s1 ZINC000054911595 527640657 /nfs/dbraw/zinc/64/06/57/527640657.db2.gz XYIFCUOYASIPPH-UHFFFAOYSA-N 1 0 281.425 2.090 10 0 CEAERO OCc1nc2c(s1)C[N@H+](CCc1ccccc1)CC2 ZINC000061802261 527642204 /nfs/dbraw/zinc/64/22/04/527642204.db2.gz VJOUXAHUNHXNNM-UHFFFAOYSA-N 1 0 274.389 2.236 10 0 CEAERO CC(C)CCC[C@@H](C)NC(=O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000173339602 527705296 /nfs/dbraw/zinc/70/52/96/527705296.db2.gz OMXXCYYOLALACC-HZPDHXFCSA-N 1 0 295.471 2.097 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000175877731 528501073 /nfs/dbraw/zinc/50/10/73/528501073.db2.gz NDDXMPIAFDAMOO-MGPQQGTHSA-N 1 0 252.402 2.125 10 0 CEAERO CCOCC[N@@H+]1CCN(C(=O)CCC(C)C)C[C@@H]1CC ZINC000116772461 528735153 /nfs/dbraw/zinc/73/51/53/528735153.db2.gz VIWXDUSZYDWVGH-HNNXBMFYSA-N 1 0 284.444 2.382 10 0 CEAERO CCOCC[N@@H+]1CCN(C(=O)NC2CCCC2)C[C@@H]1CC ZINC000116928069 528738176 /nfs/dbraw/zinc/73/81/76/528738176.db2.gz CLXCSZWSHKBDGB-HNNXBMFYSA-N 1 0 297.443 2.071 10 0 CEAERO CCOCC[N@@H+]1CCN(C(=O)NC2CCCC2)C[C@H]1CC ZINC000116928067 528739010 /nfs/dbraw/zinc/73/90/10/528739010.db2.gz CLXCSZWSHKBDGB-OAHLLOKOSA-N 1 0 297.443 2.071 10 0 CEAERO CCOCC[N@@H+]1CCN(C(=O)[C@H]2CC=CCC2)C[C@@H]1CC ZINC000116767344 528746902 /nfs/dbraw/zinc/74/69/02/528746902.db2.gz BGKFUKWOIFSYRO-HOTGVXAUSA-N 1 0 294.439 2.302 10 0 CEAERO CC[C@H]1CN(Cc2ccncc2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000173677269 529297599 /nfs/dbraw/zinc/29/75/99/529297599.db2.gz ILDUQLRDDMLERY-OCCSQVGLSA-N 1 0 297.830 2.012 10 0 CEAERO CC(C)[C@H](C[NH3+])CN1CCN(c2ccccc2F)CC1 ZINC000087535434 534990321 /nfs/dbraw/zinc/99/03/21/534990321.db2.gz MMUKHTFMRWWWHG-CQSZACIVSA-N 1 0 279.403 2.179 10 0 CEAERO CCC[NH2+][C@@H]1CCN(S(=O)(=O)C2CC2)c2ccccc21 ZINC000080935193 535187281 /nfs/dbraw/zinc/18/72/81/535187281.db2.gz AKECUQJUKOPADA-CQSZACIVSA-N 1 0 294.420 2.430 10 0 CEAERO CCCOc1ccc(CNC(=O)[C@](C)([NH3+])CCC)cn1 ZINC000262720391 535267828 /nfs/dbraw/zinc/26/78/28/535267828.db2.gz YUHCSYMDXVFXJQ-OAHLLOKOSA-N 1 0 279.384 2.004 10 0 CEAERO CCOC1CCN(c2cc([C@H](C)[NH2+]C)ccn2)CC1 ZINC000094998502 535399847 /nfs/dbraw/zinc/39/98/47/535399847.db2.gz ZBLBUTPDRGIUKK-LBPRGKRZSA-N 1 0 263.385 2.367 10 0 CEAERO CC[NH2+][C@H]1CCCN(c2cc(C)cc(F)c2)C1=O ZINC000091527220 535516194 /nfs/dbraw/zinc/51/61/94/535516194.db2.gz DODHZSUJWGZAAR-ZDUSSCGKSA-N 1 0 250.317 2.239 10 0 CEAERO CCO[C@H]1CCCN(c2cccc(F)c2C[NH3+])C1 ZINC000093395337 535621022 /nfs/dbraw/zinc/62/10/22/535621022.db2.gz RNYZKLLWEQKUQO-NSHDSACASA-N 1 0 252.333 2.290 10 0 CEAERO C[NH2+][C@H](C)c1cc(F)ccc1N1CCC(CC(N)=O)CC1 ZINC000042429277 536406535 /nfs/dbraw/zinc/40/65/35/536406535.db2.gz HDBWJYQEBAGWJX-LLVKDONJSA-N 1 0 293.386 2.198 10 0 CEAERO COC(=O)[C@H](C)[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000093036270 536642315 /nfs/dbraw/zinc/64/23/15/536642315.db2.gz LDLVIANOGQFRGL-ZIAGYGMSSA-N 1 0 276.380 2.006 10 0 CEAERO COc1cc(N2CCCC[C@@H]2C[NH2+]C(C)(C)C)ncn1 ZINC000090783867 536827277 /nfs/dbraw/zinc/82/72/77/536827277.db2.gz LUNIISVPRIHCHF-GFCCVEGCSA-N 1 0 278.400 2.232 10 0 CEAERO Brc1cccc(-c2cnnn2[C@@H]2CC[NH2+]C2)c1 ZINC000259561406 570268034 /nfs/dbraw/zinc/26/80/34/570268034.db2.gz YBNXWCUWUYRTOI-LLVKDONJSA-N 1 0 293.168 2.242 10 0 CEAERO CCCCNC(=O)N([C@H](CC[NH3+])C(F)(F)F)C1CC1 ZINC000675059616 570365666 /nfs/dbraw/zinc/36/56/66/570365666.db2.gz SKURQWGFYZSPBK-SNVBAGLBSA-N 1 0 281.322 2.240 10 0 CEAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(Cl)c(OC)c1 ZINC000757185456 574511698 /nfs/dbraw/zinc/51/16/98/574511698.db2.gz UUVAEUACZVJXPS-QWRGUYRKSA-N 1 0 283.755 2.215 10 0 CEAERO CC1(C)C[NH2+][C@]2(CCCSC2)OC12CCOCC2 ZINC000757139859 574510202 /nfs/dbraw/zinc/51/02/02/574510202.db2.gz HUUMUSIBYODMEI-CQSZACIVSA-N 1 0 271.426 2.405 10 0 CEAERO CC(C)[C@@H]1[NH2+][C@]2(CN3CCC2CC3)OCC1(C)C ZINC000757142287 574510327 /nfs/dbraw/zinc/51/03/27/574510327.db2.gz DADAYLPOJPWMBV-DZGCQCFKSA-N 1 0 252.402 2.079 10 0 CEAERO CC1(C)CC2(CC(C)(C)[NH2+]1)NCC[C@@H](C(F)F)O2 ZINC000757150392 574510741 /nfs/dbraw/zinc/51/07/41/574510741.db2.gz XVMQVWRTPUDRSO-VIFPVBQESA-N 1 0 262.344 2.267 10 0 CEAERO CCCC(=O)Nc1ncc(CN2CC[C@@H]([NH3+])[C@@H](C)C2)s1 ZINC000725272420 567924961 /nfs/dbraw/zinc/92/49/61/567924961.db2.gz QAVQCCDLVNFZQS-CMPLNLGQSA-N 1 0 296.440 2.051 10 0 CEAERO C[C@@H]1CN(C(=O)c2cc(Cl)ccc2Cl)C[C@@H]1[NH3+] ZINC000235360032 625341947 /nfs/dbraw/zinc/34/19/47/625341947.db2.gz SRKRLPYKGKMNTE-HQJQHLMTSA-N 1 0 273.163 2.413 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1sccc1OC(F)F ZINC000193508325 625568976 /nfs/dbraw/zinc/56/89/76/625568976.db2.gz CGERHTJOFHRPDJ-HTQZYQBOSA-N 1 0 290.335 2.220 10 0 CEAERO CC(C)(C)[C@H]([NH3+])Cc1nc(N2C[C@@H]3CCC[C@@H]3C2)no1 ZINC000757121361 622766263 /nfs/dbraw/zinc/76/62/63/622766263.db2.gz ANVTVEWRICMZJW-GRYCIOLGSA-N 1 0 278.400 2.222 10 0 CEAERO COC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(Cl)c(C)c1 ZINC000757182928 622956549 /nfs/dbraw/zinc/95/65/49/622956549.db2.gz CCICYYHLSPUGIQ-QWRGUYRKSA-N 1 0 253.729 2.124 10 0 CEAERO C[C@@H](NC(=O)CCC1CC[NH2+]CC1)C1CCCC1 ZINC000070307736 623000172 /nfs/dbraw/zinc/00/01/72/623000172.db2.gz WUVQQIXAEGBHKE-GFCCVEGCSA-N 1 0 252.402 2.461 10 0 CEAERO CC1(C)C[C@@H](NC(=O)[C@]2(F)CC[NH2+]C2)c2ccccc2O1 ZINC000160346221 623200920 /nfs/dbraw/zinc/20/09/20/623200920.db2.gz IIRDJXZYNWYBEZ-WBMJQRKESA-N 1 0 292.354 2.107 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1Cc1ccc(F)c2cccnc12 ZINC000261581839 623357814 /nfs/dbraw/zinc/35/78/14/623357814.db2.gz GJIUTVQZLRKPKK-YGRLFVJLSA-N 1 0 259.328 2.295 10 0 CEAERO C[NH2+]C[C@@H]1CCCCN1c1ncnc2ccsc21 ZINC000053706652 623372221 /nfs/dbraw/zinc/37/22/21/623372221.db2.gz UAIBOTZLOBQAGJ-JTQLQIEISA-N 1 0 262.382 2.270 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(F)cc1F ZINC000061884433 623694573 /nfs/dbraw/zinc/69/45/73/623694573.db2.gz DQVXMRZGQRTHTD-KCJUWKMLSA-N 1 0 269.295 2.214 10 0 CEAERO c1c2ccccc2[nH]c1CNc1ncnc2c1CC[NH2+]CC2 ZINC000072422718 624680651 /nfs/dbraw/zinc/68/06/51/624680651.db2.gz KVOZZSGIKRWQTL-UHFFFAOYSA-N 1 0 293.374 2.258 10 0 CEAERO CC[C@H](OC1CCCCC1)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000246489995 624976417 /nfs/dbraw/zinc/97/64/17/624976417.db2.gz PFIHSTOJHKTLEY-CFVMTHIKSA-N 1 0 282.428 2.358 10 0 CEAERO COC(=O)c1cc(Cl)cc(NC(=O)[C@H]2CCC[NH2+]C2)c1 ZINC000178139494 625948474 /nfs/dbraw/zinc/94/84/74/625948474.db2.gz CUTFQAVJASQJMM-VIFPVBQESA-N 1 0 296.754 2.065 10 0 CEAERO CCc1ccc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)s1 ZINC000392992450 625951081 /nfs/dbraw/zinc/95/10/81/625951081.db2.gz DSBVMYGTEMEMQP-SKDRFNHKSA-N 1 0 252.383 2.067 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCC2(CCCC2)C1 ZINC000310888005 627316226 /nfs/dbraw/zinc/31/62/26/627316226.db2.gz XDGMXMHDKFIFKY-CHWSQXEVSA-N 1 0 250.386 2.154 10 0 CEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(C2CC2)cc1 ZINC000166567694 627641247 /nfs/dbraw/zinc/64/12/47/627641247.db2.gz CKCYORFSARLEPF-LSDHHAIUSA-N 1 0 259.349 2.430 10 0 CEAERO C[NH2+]C1(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCC1 ZINC000312015047 628056571 /nfs/dbraw/zinc/05/65/71/628056571.db2.gz XKDGVXDZWYYGAQ-NXEZZACHSA-N 1 0 278.318 2.366 10 0 CEAERO C[C@@H](C[NH2+][C@H]1CCO[C@H]1C)N(C)C(=O)OC(C)(C)C ZINC000309934330 628170369 /nfs/dbraw/zinc/17/03/69/628170369.db2.gz AUVVGBOCQBHQRK-SRVKXCTJSA-N 1 0 272.389 2.009 10 0 CEAERO COCC1(c2noc(C[C@@H]([NH3+])C(C)C)n2)CCCC1 ZINC000312930732 628563708 /nfs/dbraw/zinc/56/37/08/628563708.db2.gz PORAIRXHHHZSSB-LLVKDONJSA-N 1 0 267.373 2.054 10 0 CEAERO CC(C)[C@H]1CCCC[C@H]1[NH2+]C1CCN(CCO)CC1 ZINC000398947899 628766040 /nfs/dbraw/zinc/76/60/40/628766040.db2.gz AJPYUSYFJWAHQO-HZPDHXFCSA-N 1 0 268.445 2.248 10 0 CEAERO CC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(CCO)CC1 ZINC000399157164 628781416 /nfs/dbraw/zinc/78/14/16/628781416.db2.gz DIULONDVVJAKEL-ZFWWWQNUSA-N 1 0 254.418 2.002 10 0 CEAERO C[C@H](CCCO)[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000094944162 628883762 /nfs/dbraw/zinc/88/37/62/628883762.db2.gz JKRDYLCLYXJOJX-MFKMUULPSA-N 1 0 291.313 2.489 10 0 CEAERO COC(=O)[C@H]1C[N@H+](Cc2ccc(F)cc2)C[C@H]1C ZINC000094996431 628888515 /nfs/dbraw/zinc/88/85/15/628888515.db2.gz WAOCKOGQATVUPT-MFKMUULPSA-N 1 0 251.301 2.067 10 0 CEAERO C[NH2+][C@@H](C)CNc1cc(C)c(Br)cn1 ZINC000261528402 628921854 /nfs/dbraw/zinc/92/18/54/628921854.db2.gz LMRATYOPRZPHKA-QMMMGPOBSA-N 1 0 258.163 2.172 10 0 CEAERO C[C@H]([NH3+])[C@H]1CCN(c2cncc(Br)c2)C1 ZINC000261536188 628935905 /nfs/dbraw/zinc/93/59/05/628935905.db2.gz QRGRLPMLAVZUEH-IUCAKERBSA-N 1 0 270.174 2.018 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1ccc(F)c(Cl)c1 ZINC000261541808 628936403 /nfs/dbraw/zinc/93/64/03/628936403.db2.gz BLUHYXANNBCOTB-RDDDGLTNSA-N 1 0 256.708 2.041 10 0 CEAERO C[NH2+][C@@H]1CCCN(c2ccnc(-c3ccccc3)n2)C1 ZINC000261562474 628938521 /nfs/dbraw/zinc/93/85/21/628938521.db2.gz TZDBWZYATIGGMY-CQSZACIVSA-N 1 0 268.364 2.332 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1cccc(C(F)(F)F)c1 ZINC000261592349 628943049 /nfs/dbraw/zinc/94/30/49/628943049.db2.gz MJVUDDICQVAFGO-GZMMTYOYSA-N 1 0 272.270 2.267 10 0 CEAERO COc1ccc(CN2C[C@H](C)[C@H]([NH3+])C2)cc1OC(F)F ZINC000261659656 628970229 /nfs/dbraw/zinc/97/02/29/628970229.db2.gz ZEOCNJIPFCDPFU-GXSJLCMTSA-N 1 0 286.322 2.076 10 0 CEAERO [NH3+][C@@H]1CC[C@H]2CN(Cc3nc4ccccc4s3)C[C@H]12 ZINC000261670017 628980741 /nfs/dbraw/zinc/98/07/41/628980741.db2.gz ZZINYJUPGGCXQX-SDDRHHMPSA-N 1 0 273.405 2.465 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cnc(Cl)cc1C ZINC000237009183 629149752 /nfs/dbraw/zinc/14/97/52/629149752.db2.gz IOMQHSXPEQVYOY-RDDDGLTNSA-N 1 0 255.749 2.355 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)c1nc(-c2ccco2)sc1C ZINC000261719104 629154973 /nfs/dbraw/zinc/15/49/73/629154973.db2.gz KPJRSSAALXBDIY-QMMMGPOBSA-N 1 0 279.365 2.049 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000261725403 629158838 /nfs/dbraw/zinc/15/88/38/629158838.db2.gz LBTCWDBXVPLYIK-JTQLQIEISA-N 1 0 276.311 2.423 10 0 CEAERO C[C@@H](CCC[NH+](C)C)NC(=O)c1cncc2cccnc21 ZINC000222622699 629184686 /nfs/dbraw/zinc/18/46/86/629184686.db2.gz DZLKRAUUDLAPPP-LBPRGKRZSA-N 1 0 286.379 2.090 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000261825439 629259026 /nfs/dbraw/zinc/25/90/26/629259026.db2.gz UWJMOVUQOISNAS-ZJUUUORDSA-N 1 0 254.761 2.168 10 0 CEAERO C[C@@H](C[NH3+])c1noc(Cc2cccc(Br)c2)n1 ZINC000054158955 629263008 /nfs/dbraw/zinc/26/30/08/629263008.db2.gz BSPXGKDVQPMEEQ-QMMMGPOBSA-N 1 0 296.168 2.485 10 0 CEAERO Cc1nn(C(C)C)cc1CN1CCCC[C@@H]1C[NH3+] ZINC000261966930 629402306 /nfs/dbraw/zinc/40/23/06/629402306.db2.gz PYPQDEAXLKLBGC-CQSZACIVSA-N 1 0 250.390 2.086 10 0 CEAERO C[C@H](C[NH3+])C(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000262038565 629507351 /nfs/dbraw/zinc/50/73/51/629507351.db2.gz FXOUDEDHAVBLSY-RKDXNWHRSA-N 1 0 290.285 2.357 10 0 CEAERO Cc1ccc([C@H](C)[NH2+][C@H](C)C[C@@H]2CCC(=O)N2)o1 ZINC000310876852 631491820 /nfs/dbraw/zinc/49/18/20/631491820.db2.gz UUWMDOQQSGXPDO-USWWRNFRSA-N 1 0 250.342 2.296 10 0 CEAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccnc(Cl)c1 ZINC000757186635 631831306 /nfs/dbraw/zinc/83/13/06/631831306.db2.gz DOLWNPCEBRJLQH-GHMZBOCLSA-N 1 0 282.771 2.380 10 0 CEAERO C[C@@H](N[C@@H](C)c1cn(C)nn1)c1cccc(-n2ccnc2)c1 ZINC000902824451 634842996 /nfs/dbraw/zinc/84/29/96/634842996.db2.gz JDJAFCKJXZEYAD-OLZOCXBDSA-N 1 0 296.378 2.413 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1c1nc(-c2cscn2)no1 ZINC000150262865 638076483 /nfs/dbraw/zinc/07/64/83/638076483.db2.gz KDDFXAFFEKAIJC-JGVFFNPUSA-N 1 0 250.327 2.036 10 0 CEAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C1CC1 ZINC000227062893 639572232 /nfs/dbraw/zinc/57/22/32/639572232.db2.gz UOLSUVBHQGECKG-BFHYXJOUSA-N 1 0 298.427 2.040 10 0 CEAERO CO[C@H](c1noc(-c2csc([C@H](C)[NH3+])n2)n1)C1CC1 ZINC000227330727 639584957 /nfs/dbraw/zinc/58/49/57/639584957.db2.gz NSHSYCXSKYMVAZ-RCOVLWMOSA-N 1 0 280.353 2.310 10 0 CEAERO CCc1cc(C(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)cc(Cl)n1 ZINC000228133044 639619428 /nfs/dbraw/zinc/61/94/28/639619428.db2.gz YPLPPMJQGDGPPX-GXFFZTMASA-N 1 0 295.814 2.320 10 0 CEAERO C[C@@H]([NH3+])C[C@@H](C)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000228268725 639627235 /nfs/dbraw/zinc/62/72/35/639627235.db2.gz MYLHTPHYZRHIHH-RKDXNWHRSA-N 1 0 292.351 2.221 10 0 CEAERO [NH3+]C1CC(CNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC000228429421 639634433 /nfs/dbraw/zinc/63/44/33/639634433.db2.gz IRSUPZLNMHTMAM-LXKPXOPUSA-N 1 0 278.318 2.209 10 0 CEAERO CNc1cccnc1O[C@H]1CC[N@H+](Cc2ccccn2)C1 ZINC000169792062 639637761 /nfs/dbraw/zinc/63/77/61/639637761.db2.gz CKOCBRAFNBXDEM-AWEZNQCLSA-N 1 0 284.363 2.172 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1Nc1nc(C(F)(F)F)ns1 ZINC000228790873 639658612 /nfs/dbraw/zinc/65/86/12/639658612.db2.gz GEGLJLGTFWIKDG-NKWVEPMBSA-N 1 0 280.319 2.486 10 0 CEAERO CCOCCN1CC[N@H+](C[Si](C)(C)C)C[C@H]1CC ZINC000171746217 639729410 /nfs/dbraw/zinc/72/94/10/639729410.db2.gz UZOZFDNEHSPGHL-CQSZACIVSA-N 1 0 272.509 2.297 10 0 CEAERO C[C@]1(CN2CCO[C@H]3CCCC[C@@H]32)CCC[NH2+]C1 ZINC000062862883 639788942 /nfs/dbraw/zinc/78/89/42/639788942.db2.gz HGALWXJVSFPCNF-KKUMJFAQSA-N 1 0 252.402 2.020 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000232500601 639927040 /nfs/dbraw/zinc/92/70/40/639927040.db2.gz XANYOWOAETUBGS-MJBXVCDLSA-N 1 0 298.427 2.137 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)[C@@H]([NH3+])CC2CC2)cc1F ZINC000311363555 639964683 /nfs/dbraw/zinc/96/46/83/639964683.db2.gz PIUQYHMRCQKYEU-YGRLFVJLSA-N 1 0 264.344 2.439 10 0 CEAERO C[C@@H](NC(=O)[C@@H]([NH3+])CC1CC1)c1ccc(F)c(F)c1 ZINC000312028135 639992540 /nfs/dbraw/zinc/99/25/40/639992540.db2.gz XCODPNLELZARDM-OQPBUACISA-N 1 0 268.307 2.269 10 0 CEAERO COCC[NH2+]CC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000232730935 640018869 /nfs/dbraw/zinc/01/88/69/640018869.db2.gz IVFAWDGNXJEASR-CYBMUJFWSA-N 1 0 286.375 2.253 10 0 CEAERO CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000179691744 641374514 /nfs/dbraw/zinc/37/45/14/641374514.db2.gz BTOVLNXXJDCZKT-CQSZACIVSA-N 1 0 296.798 2.455 10 0 CEAERO C[C@@H](NC(=O)COC1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000111796955 643959277 /nfs/dbraw/zinc/95/92/77/643959277.db2.gz MEROQENSHCCKSO-LLVKDONJSA-N 1 0 296.798 2.286 10 0 CEAERO Cc1cccc([C@H](C)[NH2+]C[C@@H]2CCCS2(=O)=O)c1 ZINC000126983245 651041579 /nfs/dbraw/zinc/04/15/79/651041579.db2.gz HDQPIEPIRRDDQH-JSGCOSHPSA-N 1 0 267.394 2.223 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CSC(F)(F)F ZINC000119469086 646727113 /nfs/dbraw/zinc/72/71/13/646727113.db2.gz AJVFKVYQOPGGHX-SNVBAGLBSA-N 1 0 298.374 2.476 10 0 CEAERO CCc1cnccc1-c1noc(C[C@H]([NH3+])C(C)C)n1 ZINC000122273922 648236133 /nfs/dbraw/zinc/23/61/33/648236133.db2.gz QXHWDUIPZDUQSX-LBPRGKRZSA-N 1 0 260.341 2.220 10 0 CEAERO O[C@H]1C[NH2+][C@@H](c2nc(C3CCCCCCC3)no2)C1 ZINC000131832366 652470407 /nfs/dbraw/zinc/47/04/07/652470407.db2.gz KAIGDXQYZBAVBO-VXGBXAGGSA-N 1 0 265.357 2.293 10 0 CEAERO CC[C@@H](C)c1ccc(S(=O)(=O)NC[C@@H]2CC[NH2+]C2)cc1 ZINC000131870819 652475001 /nfs/dbraw/zinc/47/50/01/652475001.db2.gz CGESBRQNDLABNT-CHWSQXEVSA-N 1 0 296.436 2.088 10 0 CEAERO C[C@H]([NH2+]CC[S@](C)=O)c1ccccc1Br ZINC000133795004 652720624 /nfs/dbraw/zinc/72/06/24/652720624.db2.gz CALQJZZBQIIBOM-BJOHPYRUSA-N 1 0 290.226 2.478 10 0 CEAERO CCC[C@@H](O)C[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000134407003 652837010 /nfs/dbraw/zinc/83/70/10/652837010.db2.gz IBJOGQVTFGUGTF-OLZOCXBDSA-N 1 0 291.313 2.489 10 0 CEAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1cncc2ccccc21 ZINC000135380392 652967705 /nfs/dbraw/zinc/96/77/05/652967705.db2.gz NBSWWNPLOUZSQQ-BBRMVZONSA-N 1 0 256.349 2.485 10 0 CEAERO CCC[NH2+][C@@H]1c2ccccc2C[C@H]1S(=O)(=O)C(C)C ZINC000081980245 177911020 /nfs/dbraw/zinc/91/10/20/177911020.db2.gz YNQGFBUJGJLGHU-HUUCEWRRSA-N 1 0 281.421 2.475 10 0 CEAERO C[C@@H]([NH3+])CCCCS(=O)(=O)[C@H]1CCC[C@@H](C)C1 ZINC000081983001 177911574 /nfs/dbraw/zinc/91/15/74/177911574.db2.gz ZPIBCJPSELPBHL-UPJWGTAASA-N 1 0 261.431 2.497 10 0 CEAERO Cc1cccc(CS(=O)(=O)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000081984311 177912153 /nfs/dbraw/zinc/91/21/53/177912153.db2.gz POBBKELIUXSLHQ-KBPBESRZSA-N 1 0 267.394 2.180 10 0 CEAERO O=C(NC1(c2ccccc2F)CCCC1)[C@@H]1CCC[NH2+]1 ZINC000082258078 177930852 /nfs/dbraw/zinc/93/08/52/177930852.db2.gz RLACNNPSYWLAEP-AWEZNQCLSA-N 1 0 276.355 2.463 10 0 CEAERO Cc1nc2ccccc2nc1N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000127333104 282088522 /nfs/dbraw/zinc/08/85/22/282088522.db2.gz ZFOYKSKMZUBXPI-PWSUYJOCSA-N 1 0 256.353 2.112 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1cnccn1)C(F)(F)F ZINC000082433244 178010350 /nfs/dbraw/zinc/01/03/50/178010350.db2.gz GGWCNYPHMGEXQO-POYBYMJQSA-N 1 0 251.277 2.237 10 0 CEAERO [NH3+]Cc1c(I)cccc1OC1CC1 ZINC000095737868 185023749 /nfs/dbraw/zinc/02/37/49/185023749.db2.gz HXHIWSPPINRNMI-UHFFFAOYSA-N 1 0 289.116 2.291 10 0 CEAERO CN(Cc1ccc(Br)o1)[C@H]1CCC[NH2+]C1 ZINC000082499171 178064303 /nfs/dbraw/zinc/06/43/03/178064303.db2.gz JYTRDGWXMISWKI-VIFPVBQESA-N 1 0 273.174 2.226 10 0 CEAERO O=C(Nc1c[nH]nc1[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000095829517 185028823 /nfs/dbraw/zinc/02/88/23/185028823.db2.gz JIXWHJAPBQZCIW-LBPRGKRZSA-N 1 0 270.336 2.129 10 0 CEAERO CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)NCC(C)C)C12CCCC2 ZINC000121218329 365536875 /nfs/dbraw/zinc/53/68/75/365536875.db2.gz MNTXCQQSRYRAGD-CABCVRRESA-N 1 0 296.455 2.428 10 0 CEAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CCn1cc(Cl)cn1 ZINC000336322436 365556510 /nfs/dbraw/zinc/55/65/10/365556510.db2.gz ZRGAQLMXFBHGSK-OCCSQVGLSA-N 1 0 282.819 2.095 10 0 CEAERO CC[C@@H]1CN(CCc2ccccc2F)CC[N@@H+]1C[C@@H](C)O ZINC000121374822 365559484 /nfs/dbraw/zinc/55/94/84/365559484.db2.gz JVYYDVIZWSWMAF-GDBMZVCRSA-N 1 0 294.414 2.145 10 0 CEAERO Cc1ccc(CC[N@@H+]2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000124638406 187146519 /nfs/dbraw/zinc/14/65/19/187146519.db2.gz XBHZCKGGQOVOIA-KRWDZBQOSA-N 1 0 285.391 2.135 10 0 CEAERO CC(C)c1cccc(NC(=O)C2([NH3+])CCOCC2)c1 ZINC000127734004 187330315 /nfs/dbraw/zinc/33/03/15/187330315.db2.gz GBZUWWSUUDJGGI-UHFFFAOYSA-N 1 0 262.353 2.256 10 0 CEAERO CSCC[C@@H]([NH3+])c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000034939128 361799355 /nfs/dbraw/zinc/79/93/55/361799355.db2.gz ZQMWTOADHNFAKC-SECBINFHSA-N 1 0 293.392 2.477 10 0 CEAERO C[C@@H]([NH3+])C[S@](=O)c1cc(Cl)ccc1Cl ZINC000082744581 178269037 /nfs/dbraw/zinc/26/90/37/178269037.db2.gz DTCFJXJYMWTGMC-RWBAJPLHSA-N 1 0 252.166 2.448 10 0 CEAERO [NH3+][C@@H](C[S@](=O)c1ccccc1Br)C1CC1 ZINC000082747354 178269495 /nfs/dbraw/zinc/26/94/95/178269495.db2.gz SPRCQAZSEACFSL-ZUZCIYMTSA-N 1 0 288.210 2.294 10 0 CEAERO CC(C)([NH3+])Cc1nc2cc(Br)cnc2[nH]1 ZINC000082770676 178284821 /nfs/dbraw/zinc/28/48/21/178284821.db2.gz YQJGFXXKCVHXHJ-UHFFFAOYSA-N 1 0 269.146 2.000 10 0 CEAERO C[C@@H]([NH3+])C[C@H](C)S(=O)(=O)c1ccccc1Cl ZINC000082798380 178301174 /nfs/dbraw/zinc/30/11/74/178301174.db2.gz HUKBADQTGUKDKS-BDAKNGLRSA-N 1 0 261.774 2.240 10 0 CEAERO C[C@H]([NH3+])C[C@H](C)S(=O)(=O)c1cccc(Cl)c1 ZINC000082798597 178302507 /nfs/dbraw/zinc/30/25/07/178302507.db2.gz MKMJWKLQGSDGNN-IUCAKERBSA-N 1 0 261.774 2.240 10 0 CEAERO CC[N@@H+]1CC[C@@]12CCN(C(=O)c1ccsc1)C2 ZINC000096075929 185089503 /nfs/dbraw/zinc/08/95/03/185089503.db2.gz SEKPDQSDIIYEHP-CYBMUJFWSA-N 1 0 250.367 2.058 10 0 CEAERO CC(C)(O)C[N@@H+]1CC[C@]2(CCN2Cc2ccc(F)cc2)C1 ZINC000096076065 185090268 /nfs/dbraw/zinc/09/02/68/185090268.db2.gz HBPUKZLXNLQENZ-KRWDZBQOSA-N 1 0 292.398 2.247 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000335499775 212179670 /nfs/dbraw/zinc/17/96/70/212179670.db2.gz JKTXTKZQPQZHJV-GXFFZTMASA-N 1 0 278.783 2.320 10 0 CEAERO [NH3+][C@@H](CO)CCSc1cccc(Br)c1 ZINC000082902426 178328706 /nfs/dbraw/zinc/32/87/06/178328706.db2.gz JWKHMSAIXNNVSF-SECBINFHSA-N 1 0 276.199 2.251 10 0 CEAERO CC(C)[NH2+][C@@H](CO)CSc1ncccc1Cl ZINC000082905459 178329610 /nfs/dbraw/zinc/32/96/10/178329610.db2.gz CHZXHWOEOFGXMA-VIFPVBQESA-N 1 0 260.790 2.186 10 0 CEAERO [NH3+][C@]1(Cc2cc(Br)cs2)CCOC1 ZINC000083186673 178352032 /nfs/dbraw/zinc/35/20/32/178352032.db2.gz PSPXRDANALHCTJ-VIFPVBQESA-N 1 0 262.172 2.171 10 0 CEAERO CC(C)[C@@H]1C[NH2+]CCN1CCc1ccc(F)cc1 ZINC000083383631 178386384 /nfs/dbraw/zinc/38/63/84/178386384.db2.gz KCHSXQZPJFIQRE-HNNXBMFYSA-N 1 0 250.361 2.298 10 0 CEAERO CCOc1ccc([C@H](C[NH3+])C2CC2)cc1NC(C)=O ZINC000096890672 185124063 /nfs/dbraw/zinc/12/40/63/185124063.db2.gz NSXWIPVCVFHEGW-CYBMUJFWSA-N 1 0 262.353 2.496 10 0 CEAERO CCc1cc(OC)c(C(=O)[C@H](C)[NH2+]C)cc1OC ZINC000096890205 185124274 /nfs/dbraw/zinc/12/42/74/185124274.db2.gz KSEARJQUDMNWDG-VIFPVBQESA-N 1 0 251.326 2.057 10 0 CEAERO Cc1c(Br)cccc1NC1=[NH+]CCN1 ZINC000036428198 361847424 /nfs/dbraw/zinc/84/74/24/361847424.db2.gz QQZNOYVXMMPUFX-UHFFFAOYSA-N 1 0 254.131 2.129 10 0 CEAERO CC(C)(C)OC(=O)NCCc1ccc(C[NH3+])cc1 ZINC000037034959 361890141 /nfs/dbraw/zinc/89/01/41/361890141.db2.gz MOOOPSISNWRGLA-UHFFFAOYSA-N 1 0 250.342 2.213 10 0 CEAERO C[C@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000125456069 187186151 /nfs/dbraw/zinc/18/61/51/187186151.db2.gz SRWCKDBKEFARIF-BPNCWPANSA-N 1 0 278.783 2.264 10 0 CEAERO [NH3+]CC1CCC(C(=O)NC[C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000097031661 185155435 /nfs/dbraw/zinc/15/54/35/185155435.db2.gz JEFGARGOELVUAK-OGONIBCJSA-N 1 0 264.413 2.304 10 0 CEAERO CCc1ccc([C@H](C)[NH2+]C[C@H](O)Cn2cccn2)cc1 ZINC000038012716 361980687 /nfs/dbraw/zinc/98/06/87/361980687.db2.gz RUESTIHTZPCNDU-BBRMVZONSA-N 1 0 273.380 2.157 10 0 CEAERO O=C1C(C[NH2+]C2CCCC2)=CC2=CC=C[C@H]3CCN1[C@H]23 ZINC000039287481 361988067 /nfs/dbraw/zinc/98/80/67/361988067.db2.gz KPIXDQZOIJEYLH-LRDDRELGSA-N 1 0 270.376 2.172 10 0 CEAERO CCc1nn(C)cc1CN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000125523153 187189325 /nfs/dbraw/zinc/18/93/25/187189325.db2.gz QXKYWTPJMLMVNB-ZFWWWQNUSA-N 1 0 278.444 2.383 10 0 CEAERO Cc1ccc2c(c1Br)NC[C@]21C[C@H]1[NH3+] ZINC000725246986 539191951 /nfs/dbraw/zinc/19/19/51/539191951.db2.gz CMFVQWWCTGCQRN-LDYMZIIASA-N 1 0 253.143 2.152 10 0 CEAERO CC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C[C@H]1F ZINC000725261866 539209663 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C[NH+](C)[C@@H]1CCN(C(=O)NC2CCC(C)(C)CC2)C1 ZINC000173912599 282196892 /nfs/dbraw/zinc/19/68/92/282196892.db2.gz WCXMXSQLWGONBA-CYBMUJFWSA-N 1 0 267.417 2.301 10 0 CEAERO OC1(c2cccc(Br)c2)CC[NH2+]CC1 ZINC000079033371 539246267 /nfs/dbraw/zinc/24/62/67/539246267.db2.gz SAYLAYXYGATQEB-UHFFFAOYSA-N 1 0 256.143 2.020 10 0 CEAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cscc1Cl ZINC000309745983 539273079 /nfs/dbraw/zinc/27/30/79/539273079.db2.gz FPNCHMBQBWYXLZ-XCBNKYQSSA-N 1 0 258.774 2.158 10 0 CEAERO CC[C@H]([NH2+][C@H]1CCN(C(C)C)C1=O)[C@@H]1CC1(C)C ZINC000414107222 529670977 /nfs/dbraw/zinc/67/09/77/529670977.db2.gz YKTRDOCLAHJIFJ-AVGNSLFASA-N 1 0 252.402 2.410 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(C1CC1)C1CC1 ZINC000126427736 365709502 /nfs/dbraw/zinc/70/95/02/365709502.db2.gz YECRQCVHSRAKSO-AWEZNQCLSA-N 1 0 264.413 2.365 10 0 CEAERO Cc1c2cccc(Cl)c2oc1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000126445591 187240396 /nfs/dbraw/zinc/24/03/96/187240396.db2.gz WJXPWJGLHHXRSP-SECBINFHSA-N 1 0 278.739 2.486 10 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2.269 10 0 CEAERO CCOc1ccccc1OC[C@@H](O)C[NH2+]C1CCCC1 ZINC000032125989 343412057 /nfs/dbraw/zinc/41/20/57/343412057.db2.gz SEERPFLCXVIXGH-AWEZNQCLSA-N 1 0 279.380 2.357 10 0 CEAERO CC(C)CCNC(=O)[C@@H](C)[NH2+]CCc1cccs1 ZINC000034938579 343421051 /nfs/dbraw/zinc/42/10/51/343421051.db2.gz XMQQEIHTUVCPCR-GFCCVEGCSA-N 1 0 268.426 2.431 10 0 CEAERO O[C@H]1CCC[C@@H]([NH2+]Cc2cccc3c2OCCCO3)C1 ZINC000037164068 343426244 /nfs/dbraw/zinc/42/62/44/343426244.db2.gz FOVGOKPPPYJCKW-KGLIPLIRSA-N 1 0 277.364 2.241 10 0 CEAERO COC(=O)c1ccc(F)c(NC(=O)C2CCC([NH3+])CC2)c1 ZINC000037627636 343430474 /nfs/dbraw/zinc/43/04/74/343430474.db2.gz OXGXIIBIOBYWRH-UHFFFAOYSA-N 1 0 294.326 2.068 10 0 CEAERO COCCC[NH2+]C[C@@H](O)COc1cccc2ccccc21 ZINC000039234979 343436133 /nfs/dbraw/zinc/43/61/33/343436133.db2.gz LRLIOINDRYOXES-OAHLLOKOSA-N 1 0 289.375 2.206 10 0 CEAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2c[nH]nc2-c2ccccc2)C1 ZINC000041640517 343442303 /nfs/dbraw/zinc/44/23/03/343442303.db2.gz IHCGNCKPWHMWCX-HUUCEWRRSA-N 1 0 271.364 2.470 10 0 CEAERO CCCCOC[C@H](O)C[NH2+]CCc1ccccc1C ZINC000227894292 539323449 /nfs/dbraw/zinc/32/34/49/539323449.db2.gz DPCYIGNSXADRJW-MRXNPFEDSA-N 1 0 265.397 2.305 10 0 CEAERO COc1ccc(CN(C)C(=O)C[C@H]2CCC[NH2+]C2)cc1 ZINC000054291214 343587399 /nfs/dbraw/zinc/58/73/99/343587399.db2.gz QAAGLYZLPRPSJQ-CQSZACIVSA-N 1 0 276.380 2.043 10 0 CEAERO CC(C)(C)c1cc(NC(=O)[C@]2(C)CCCC[NH2+]2)n[nH]1 ZINC000228343887 539337613 /nfs/dbraw/zinc/33/76/13/539337613.db2.gz VINUQDMHWZJJGW-AWEZNQCLSA-N 1 0 264.373 2.178 10 0 CEAERO C[C@@H]([NH2+]CC(=O)N1CCC1)c1ccc(Cl)s1 ZINC000336740977 365794133 /nfs/dbraw/zinc/79/41/33/365794133.db2.gz MUGFYCJPBUCXBY-MRVPVSSYSA-N 1 0 258.774 2.284 10 0 CEAERO CC[C@H]1CN(CCOc2ccccc2OC)[C@H](C)C[NH2+]1 ZINC000083586604 178595443 /nfs/dbraw/zinc/59/54/43/178595443.db2.gz LJOMHAVQUQCHED-KGLIPLIRSA-N 1 0 278.396 2.146 10 0 CEAERO [NH3+][C@@H]1CC[C@H](C(=O)NCCc2ccc(OC(F)F)cc2)C1 ZINC000091539628 344167325 /nfs/dbraw/zinc/16/73/25/344167325.db2.gz RXXMDFJVNYBWSY-NWDGAFQWSA-N 1 0 298.333 2.074 10 0 CEAERO [NH3+]C[C@H](Nc1ncnc2c1CCC2)C1CCCCC1 ZINC000130844615 344355110 /nfs/dbraw/zinc/35/51/10/344355110.db2.gz WOTDCTRDAXISPH-AWEZNQCLSA-N 1 0 260.385 2.285 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1Oc1nc(Br)cs1 ZINC000131631120 344359308 /nfs/dbraw/zinc/35/93/08/344359308.db2.gz ZRWXBBQSNZOYFN-NTSWFWBYSA-N 1 0 263.160 2.164 10 0 CEAERO CCSCC[C@@H](C)NC(=O)C1CCC([NH3+])CC1 ZINC000133342580 344367940 /nfs/dbraw/zinc/36/79/40/344367940.db2.gz FCBLPUIVHYJMFR-VOMCLLRMSA-N 1 0 258.431 2.152 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2F)C1 ZINC000134566244 344375249 /nfs/dbraw/zinc/37/52/49/344375249.db2.gz SZUKBQHNOQOXKP-AAEUAGOBSA-N 1 0 284.350 2.336 10 0 CEAERO C[C@@H](NC(=O)NC[C@H]1CCC[N@@H+]1C)c1ccc(F)c(F)c1 ZINC000139232710 344392659 /nfs/dbraw/zinc/39/26/59/344392659.db2.gz RDPZKXDYIINIOF-ZYHUDNBSSA-N 1 0 297.349 2.419 10 0 CEAERO COc1ccc2c(c1)CCc1cnn(C[C@@H](C)[NH3+])c1-2 ZINC000143405391 344405720 /nfs/dbraw/zinc/40/57/20/344405720.db2.gz GQFJGNOYLDORCJ-SNVBAGLBSA-N 1 0 257.337 2.005 10 0 CEAERO C[C@@]1(C[NH2+]C[C@H](O)COCc2ccco2)CCCS1 ZINC000155658584 344438721 /nfs/dbraw/zinc/43/87/21/344438721.db2.gz SWRRPIYZSBSEAT-JSGCOSHPSA-N 1 0 285.409 2.032 10 0 CEAERO CC[C@H]1CCC[NH2+][C@H]1CN1C(=O)c2ccccc2C1=O ZINC000159082161 344453374 /nfs/dbraw/zinc/45/33/74/344453374.db2.gz NRLRVDTZJBXFLV-FZMZJTMJSA-N 1 0 272.348 2.061 10 0 CEAERO NNc1nc(C(F)(F)F)cc(NCc2ccccc2)[nH+]1 ZINC000162538853 344468135 /nfs/dbraw/zinc/46/81/35/344468135.db2.gz SFOUYCIVVWTSMG-UHFFFAOYSA-N 1 0 283.257 2.393 10 0 CEAERO C[C@](O)(C[NH3+])c1ccc(Br)cc1Cl ZINC000168542207 344480451 /nfs/dbraw/zinc/48/04/51/344480451.db2.gz ZNRHSVHSNJHPLF-VIFPVBQESA-N 1 0 264.550 2.269 10 0 CEAERO C[C@H]1C[C@@H]1NC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000170839415 344491746 /nfs/dbraw/zinc/49/17/46/344491746.db2.gz GDEDKELKCZUUSP-KBPBESRZSA-N 1 0 267.417 2.206 10 0 CEAERO CCOc1ccccc1CCC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170859623 344491980 /nfs/dbraw/zinc/49/19/80/344491980.db2.gz VYTYYCQRLMFCNQ-OAHLLOKOSA-N 1 0 290.407 2.180 10 0 CEAERO CC(C)c1cccc(OCC(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000170866793 344492094 /nfs/dbraw/zinc/49/20/94/344492094.db2.gz WRKKJQIJJKZREJ-OAHLLOKOSA-N 1 0 290.407 2.351 10 0 CEAERO C[C@@H]1CC[NH2+]C[C@H]1Oc1nc(Br)cs1 ZINC000230205861 344571729 /nfs/dbraw/zinc/57/17/29/344571729.db2.gz LSTLNWFPQJXJTR-RNFRBKRXSA-N 1 0 277.187 2.282 10 0 CEAERO [NH3+]CC1(c2ncc(Br)cc2Cl)CC1 ZINC000220644412 344538438 /nfs/dbraw/zinc/53/84/38/344538438.db2.gz NDQTWCUAGUNCRA-UHFFFAOYSA-N 1 0 261.550 2.488 10 0 CEAERO CN(C(=O)c1c(F)cccc1F)[C@H]1CCC[NH2+]CC1 ZINC000226457901 344550204 /nfs/dbraw/zinc/55/02/04/344550204.db2.gz QVLJAOHKBHJJBG-JTQLQIEISA-N 1 0 268.307 2.179 10 0 CEAERO COc1ccc(C[N@@H+]2CC[C@@H](CCO)C2)c(F)c1 ZINC000228635215 344562715 /nfs/dbraw/zinc/56/27/15/344562715.db2.gz HPOFIMIJOXKKMW-NSHDSACASA-N 1 0 253.317 2.039 10 0 CEAERO [NH2+]=C1NC[C@H](c2cscn2)N1Cc1ccccc1 ZINC000229332362 344565845 /nfs/dbraw/zinc/56/58/45/344565845.db2.gz BBNLMBXIGNPXLO-GFCCVEGCSA-N 1 0 258.350 2.015 10 0 CEAERO [NH3+][C@H]1CCOC[C@@H]1Cc1cc(Br)cs1 ZINC000236324615 344595477 /nfs/dbraw/zinc/59/54/77/344595477.db2.gz MHYARFYXAKFSCC-XVKPBYJWSA-N 1 0 276.199 2.417 10 0 CEAERO [NH3+][C@@H](CC1OCCO1)c1cscc1Br ZINC000236303684 344595494 /nfs/dbraw/zinc/59/54/94/344595494.db2.gz PUZSZDJGLYXJMW-QMMMGPOBSA-N 1 0 278.171 2.273 10 0 CEAERO C[C@@H](C[NH3+])Nc1ccccc1I ZINC000235115998 344588999 /nfs/dbraw/zinc/58/89/99/344588999.db2.gz ZUBVSOKOCWQAER-ZETCQYMHSA-N 1 0 276.121 2.050 10 0 CEAERO CC(C)(C)OC(=O)N1C[C@@]2(CC[NH2+]C2)CC(F)(F)C1 ZINC000238172280 344605928 /nfs/dbraw/zinc/60/59/28/344605928.db2.gz QPRMAYYTQKKTQZ-LBPRGKRZSA-N 1 0 276.327 2.242 10 0 CEAERO C[NH2+][C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000053204716 362488001 /nfs/dbraw/zinc/48/80/01/362488001.db2.gz KRFJDNBVKQJPCZ-SECBINFHSA-N 1 0 259.275 2.289 10 0 CEAERO CC(C)C[C@@H]1CCCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000262609243 344654920 /nfs/dbraw/zinc/65/49/20/344654920.db2.gz CJKZCJVSUMPIIU-IHRRRGAJSA-N 1 0 252.402 2.399 10 0 CEAERO C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000127259462 187291933 /nfs/dbraw/zinc/29/19/33/187291933.db2.gz KYBYEHYLJJITTH-NUEKZKHPSA-N 1 0 290.407 2.126 10 0 CEAERO C[C@H]1N(C(=O)OC(C)(C)C)CCC[C@]12[NH2+]CCS2 ZINC000307172544 344720615 /nfs/dbraw/zinc/72/06/15/344720615.db2.gz NBBKJAHXCGYEGH-ZWNOBZJWSA-N 1 0 272.414 2.439 10 0 CEAERO CC[C@@H]1C[C@@H]1[C@H]([NH3+])c1c(Br)cnn1C ZINC000307138456 344720640 /nfs/dbraw/zinc/72/06/40/344720640.db2.gz ZSZZJSBHMSDJOZ-FJXKBIBVSA-N 1 0 258.163 2.229 10 0 CEAERO [NH3+]CC1(c2ncncc2Br)CCCC1 ZINC000307173100 344720842 /nfs/dbraw/zinc/72/08/42/344720842.db2.gz QTPUVFSLKYFGNQ-UHFFFAOYSA-N 1 0 256.147 2.010 10 0 CEAERO C[C@H]1CCC[C@]1([NH3+])c1ncc(Br)cn1 ZINC000307252299 344721200 /nfs/dbraw/zinc/72/12/00/344721200.db2.gz RWYVCAKGTYCMNS-OIBJUYFYSA-N 1 0 256.147 2.213 10 0 CEAERO C[C@@H]1CC[C@@H](C[NH2+]C[C@H](O)COCc2ccco2)C1 ZINC000300304711 344699352 /nfs/dbraw/zinc/69/93/52/344699352.db2.gz ATGQSKUGROXLEW-MCIONIFRSA-N 1 0 267.369 2.183 10 0 CEAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](O)COCc1ccccc1F ZINC000300576836 344700800 /nfs/dbraw/zinc/70/08/00/344700800.db2.gz CZIKJFXEYJBDEY-XPKDYRNWSA-N 1 0 281.371 2.481 10 0 CEAERO CNC(=[NH2+])Nc1ccc(C)c(I)c1 ZINC000300980166 344702106 /nfs/dbraw/zinc/70/21/06/344702106.db2.gz RSUREARSOGQOGU-UHFFFAOYSA-N 1 0 289.120 2.166 10 0 CEAERO CC(C)N(C)c1ncc(C[NH3+])cc1Br ZINC000306235592 344712546 /nfs/dbraw/zinc/71/25/46/344712546.db2.gz OBGXBZYITMPFSQ-UHFFFAOYSA-N 1 0 258.163 2.147 10 0 CEAERO C[C@@H](NC(N)=[NH2+])c1ccc(F)c(Br)c1 ZINC000306585664 344715216 /nfs/dbraw/zinc/71/52/16/344715216.db2.gz QUIDZCNJAJVVOP-RXMQYKEDSA-N 1 0 260.110 2.132 10 0 CEAERO CC[C@H](NC(N)=[NH2+])c1cccc(Br)c1 ZINC000306899978 344718302 /nfs/dbraw/zinc/71/83/02/344718302.db2.gz DZALLBDVPDUHDR-VIFPVBQESA-N 1 0 256.147 2.383 10 0 CEAERO [NH3+]C[C@@H]1CC[C@H](c2nc(CCCc3ccccc3)no2)O1 ZINC000328611804 344755818 /nfs/dbraw/zinc/75/58/18/344755818.db2.gz MQYDVLZGDAGDJF-UONOGXRCSA-N 1 0 287.363 2.424 10 0 CEAERO C[N@@H+](Cc1cnn2ccccc12)C[C@H]1CCc2nccn2C1 ZINC000328630925 344756219 /nfs/dbraw/zinc/75/62/19/344756219.db2.gz JXCBCFIJXOQGQA-CQSZACIVSA-N 1 0 295.390 2.225 10 0 CEAERO C[C@@H](O)[C@](C)(C[NH3+])Cc1sccc1Br ZINC000083777497 178746430 /nfs/dbraw/zinc/74/64/30/178746430.db2.gz LQFYVJYUOTXYMU-XCBNKYQSSA-N 1 0 278.215 2.399 10 0 CEAERO CCOC[C@H](C)[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000128699946 365802347 /nfs/dbraw/zinc/80/23/47/365802347.db2.gz YJIJUUBJNHHFJB-DZGCQCFKSA-N 1 0 250.386 2.304 10 0 CEAERO CC[C@H]([NH3+])CNc1cc(OC)c(C)cc1[N+](=O)[O-] ZINC000384988290 344829874 /nfs/dbraw/zinc/82/98/74/344829874.db2.gz PGGYOCBWLHNXOF-VIFPVBQESA-N 1 0 253.302 2.061 10 0 CEAERO O=[N+]([O-])c1ccc(NC2CC[NH+](CCO)CC2)c(Cl)c1 ZINC000399002804 344856267 /nfs/dbraw/zinc/85/62/67/344856267.db2.gz USPVEWGEBMJZKM-UHFFFAOYSA-N 1 0 299.758 2.117 10 0 CEAERO C[C@H]1CC[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C[NH2+]1 ZINC000398958917 344856336 /nfs/dbraw/zinc/85/63/36/344856336.db2.gz KRRLGHKYPLHIGT-WCBMZHEXSA-N 1 0 253.277 2.286 10 0 CEAERO COc1cccc([C@H]([NH3+])C[S@@](=O)C2CCCC2)c1 ZINC000084051519 178779570 /nfs/dbraw/zinc/77/95/70/178779570.db2.gz XSISAHHKBFAPRM-KDOFPFPSSA-N 1 0 267.394 2.386 10 0 CEAERO [NH3+]CCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000084110525 178795172 /nfs/dbraw/zinc/79/51/72/178795172.db2.gz IZDORXHSRODPDS-UHFFFAOYSA-N 1 0 257.124 2.075 10 0 CEAERO C[NH2+]CCCc1nnc(-c2scnc2C)s1 ZINC000084117967 178795459 /nfs/dbraw/zinc/79/54/59/178795459.db2.gz HUNKBLKDVIEDIC-UHFFFAOYSA-N 1 0 254.384 2.122 10 0 CEAERO C[C@H]([NH3+])c1cccc(SCCC(=O)NC2CC2)c1 ZINC000084122665 178797808 /nfs/dbraw/zinc/79/78/08/178797808.db2.gz NKCJOISCEGOYBX-JTQLQIEISA-N 1 0 264.394 2.467 10 0 CEAERO COCc1cccc(NC(=O)CC2([NH3+])CCCC2)c1 ZINC000084165483 178811183 /nfs/dbraw/zinc/81/11/83/178811183.db2.gz ISVDAVVOPOJVFW-UHFFFAOYSA-N 1 0 262.353 2.433 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1cc(F)cc(F)c1 ZINC000054290354 362521853 /nfs/dbraw/zinc/52/18/53/362521853.db2.gz ILXQLMVGTLQZTG-VIFPVBQESA-N 1 0 254.280 2.293 10 0 CEAERO CC(=O)Nc1ccc(C)c(NC(=O)C[C@@H]2CCC[NH2+]C2)c1 ZINC000054306356 362525602 /nfs/dbraw/zinc/52/56/02/362525602.db2.gz UBPNAXPGRQPQDP-ZDUSSCGKSA-N 1 0 289.379 2.282 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@@H]1S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000084269557 178836352 /nfs/dbraw/zinc/83/63/52/178836352.db2.gz OVIOFBQNYQCCMP-ZBFHGGJFSA-N 1 0 293.432 2.467 10 0 CEAERO C[NH2+][C@H](Cc1c(Br)c(C)nn1C)C1CCC1 ZINC000084274156 178839990 /nfs/dbraw/zinc/83/99/90/178839990.db2.gz AOOQLCFOPIHFRK-SNVBAGLBSA-N 1 0 286.217 2.422 10 0 CEAERO C[NH2+][C@H](CC1CCOCC1)Cn1cnc2ccccc21 ZINC000097066628 185520634 /nfs/dbraw/zinc/52/06/34/185520634.db2.gz HYGFQQBUIFLAQV-CQSZACIVSA-N 1 0 273.380 2.441 10 0 CEAERO CC[C@@H]1CC[C@@H](C[NH3+])[C@H](S(=O)(=O)C2CCCC2)C1 ZINC000084272528 178839093 /nfs/dbraw/zinc/83/90/93/178839093.db2.gz KXNJNGQWAIKVAL-MBNYWOFBSA-N 1 0 273.442 2.497 10 0 CEAERO CC[NH2+][C@@H](CC1CCCC1)C[C@H]1CCS(=O)(=O)C1 ZINC000097068630 185521350 /nfs/dbraw/zinc/52/13/50/185521350.db2.gz VJJVKHDSEADBBF-KGLIPLIRSA-N 1 0 273.442 2.370 10 0 CEAERO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000084267925 178835463 /nfs/dbraw/zinc/83/54/63/178835463.db2.gz IBVCWUYVKHPLLH-TZMCWYRMSA-N 1 0 267.394 2.286 10 0 CEAERO C[C@H]1CC[C@@H](C[NH3+])[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000084267748 178835496 /nfs/dbraw/zinc/83/54/96/178835496.db2.gz GNPMTKBISFNXBL-SGMGOOAPSA-N 1 0 267.394 2.224 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1C(=O)CSCc1ccc(F)cc1 ZINC000591678792 345273996 /nfs/dbraw/zinc/27/39/96/345273996.db2.gz JTVXMWZMGVJALH-AWEZNQCLSA-N 1 0 296.411 2.399 10 0 CEAERO Cc1nn(C)c(C[C@H]2C[C@@H](C)CC[NH2+]2)c1Br ZINC000084276430 178840891 /nfs/dbraw/zinc/84/08/91/178840891.db2.gz RUJGRGZZTYNJDL-WCBMZHEXSA-N 1 0 286.217 2.422 10 0 CEAERO CCn1nc(C)c(Br)c1CC[NH2+]C1CC1 ZINC000084279521 178842069 /nfs/dbraw/zinc/84/20/69/178842069.db2.gz PLQVTDPUVHGJJR-UHFFFAOYSA-N 1 0 272.190 2.268 10 0 CEAERO CC[NH2+][C@@](C)(C[C@H](C)SCc1ccco1)C(N)=O ZINC000084313921 178856905 /nfs/dbraw/zinc/85/69/05/178856905.db2.gz CQQIODPJLXCDSS-GWCFXTLKSA-N 1 0 270.398 2.145 10 0 CEAERO C[N@@H+]1CCC[C@H]1CN1CCC(C(=O)OC(C)(C)C)CC1 ZINC000593007702 345422396 /nfs/dbraw/zinc/42/23/96/345422396.db2.gz NVQALNNNMFAGQF-AWEZNQCLSA-N 1 0 282.428 2.134 10 0 CEAERO CCCOc1ccc([C@H]([NH3+])C[C@H]2CCS(=O)(=O)C2)cc1 ZINC000097128156 185542862 /nfs/dbraw/zinc/54/28/62/185542862.db2.gz LVWVTMYLUASYGN-IUODEOHRSA-N 1 0 297.420 2.300 10 0 CEAERO CN[C@](C)(C[C@@H](C)[NH+]1CCC(C)(C)CC1)C(=O)OC ZINC000084354514 178865600 /nfs/dbraw/zinc/86/56/00/178865600.db2.gz AGZVQYVZEHGNKX-IUODEOHRSA-N 1 0 270.417 2.038 10 0 CEAERO C[NH2+][C@H]1CCC[C@@H](S(=O)(=O)c2ccc(C)cc2)C1 ZINC000084429878 178885684 /nfs/dbraw/zinc/88/56/84/178885684.db2.gz NXJINOOJJBQEAP-GXTWGEPZSA-N 1 0 267.394 2.299 10 0 CEAERO CC[C@@H]1CCCCN1C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000057870592 362598222 /nfs/dbraw/zinc/59/82/22/362598222.db2.gz MASQHJVNWITPEV-ZIAGYGMSSA-N 1 0 267.417 2.445 10 0 CEAERO COc1ccccc1C(=O)N1CCC[C@@H]1CCC[NH3+] ZINC000084626772 178906457 /nfs/dbraw/zinc/90/64/57/178906457.db2.gz RMRASEMEKRPDTO-LBPRGKRZSA-N 1 0 262.353 2.039 10 0 CEAERO CN(CC[N@H+](C)CCO)Cc1cc(Cl)ccc1Cl ZINC000623091315 349935481 /nfs/dbraw/zinc/93/54/81/349935481.db2.gz YJIFPYVFKFEDKF-UHFFFAOYSA-N 1 0 291.222 2.349 10 0 CEAERO CC[NH2+][C@H](CCCS(=O)(=O)CC)c1ccc(C)nc1 ZINC000097217851 185566681 /nfs/dbraw/zinc/56/66/81/185566681.db2.gz HPHJORJXSPRIOU-CQSZACIVSA-N 1 0 284.425 2.256 10 0 CEAERO Nc1cc([C@@H]2CCC[NH2+]C2)nc2c(-c3ccccc3)cnn21 ZINC000060327783 362659100 /nfs/dbraw/zinc/65/91/00/362659100.db2.gz PKMHWWNKFMBGBK-CYBMUJFWSA-N 1 0 293.374 2.446 10 0 CEAERO CC[NH2+][C@H](COC(C)(C)C)Cc1ncnn1CC(C)C ZINC000097278232 185577685 /nfs/dbraw/zinc/57/76/85/185577685.db2.gz NEZTWLPXXYZASI-ZDUSSCGKSA-N 1 0 282.432 2.270 10 0 CEAERO C[NH2+][C@@H](c1cc(C)nn1C)[C@@H]1CCOC2(CCC2)C1 ZINC000097306958 185582079 /nfs/dbraw/zinc/58/20/79/185582079.db2.gz JDIHJCYQNCPRSO-TZMCWYRMSA-N 1 0 263.385 2.338 10 0 CEAERO CCc1nnsc1[C@H]([NH3+])[C@@H]1CCc2cccnc21 ZINC000097305048 185582618 /nfs/dbraw/zinc/58/26/18/185582618.db2.gz UETVYCSSHUGZMN-GXSJLCMTSA-N 1 0 260.366 2.225 10 0 CEAERO [NH3+][C@@H](CCc1ccccn1)[C@H]1CCc2cccnc21 ZINC000097305654 185582751 /nfs/dbraw/zinc/58/27/51/185582751.db2.gz KLVPQGVIQBYQTE-CABCVRRESA-N 1 0 253.349 2.467 10 0 CEAERO CC[NH2+][C@H](c1ccnn1C)[C@H]1CCOC2(CCC2)C1 ZINC000097305962 185582944 /nfs/dbraw/zinc/58/29/44/185582944.db2.gz KSCIBZCMBOSBKR-JSGCOSHPSA-N 1 0 263.385 2.420 10 0 CEAERO C[NH2+][C@@H](Cc1nccn1C)[C@@H]1CSc2ccccc21 ZINC000097309643 185583047 /nfs/dbraw/zinc/58/30/47/185583047.db2.gz FRYKRFXLHUEOHE-OLZOCXBDSA-N 1 0 273.405 2.440 10 0 CEAERO COc1cnc([C@@H]([NH3+])CCc2ccccc2C)c(OC)n1 ZINC000097387343 185595972 /nfs/dbraw/zinc/59/59/72/185595972.db2.gz SVPYZEZVDBQQHF-ZDUSSCGKSA-N 1 0 287.363 2.435 10 0 CEAERO C[C@H]1CC(NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])C[C@H](C)C1 ZINC000084981117 178939046 /nfs/dbraw/zinc/93/90/46/178939046.db2.gz MUKNCCWCPXPMBG-OXHZDVMGSA-N 1 0 252.402 2.445 10 0 CEAERO C[C@](O)(CC[NH3+])Cc1cc(Br)cs1 ZINC000084997175 178941338 /nfs/dbraw/zinc/94/13/38/178941338.db2.gz PTNRATXETWZKON-VIFPVBQESA-N 1 0 264.188 2.153 10 0 CEAERO C[NH2+]CC[C@](C)(O)Cc1ccc(Br)cc1F ZINC000084997720 178941589 /nfs/dbraw/zinc/94/15/89/178941589.db2.gz KJMDGLDMQVVYJQ-LBPRGKRZSA-N 1 0 290.176 2.491 10 0 CEAERO CC[C@@H]([NH3+])[C@](C)(CCO)c1cc(C)ccc1OC ZINC000097435239 185603076 /nfs/dbraw/zinc/60/30/76/185603076.db2.gz PKNDAPKJEWRTFM-HUUCEWRRSA-N 1 0 251.370 2.381 10 0 CEAERO C[C@H](NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCCO1 ZINC000173980338 232286579 /nfs/dbraw/zinc/28/65/79/232286579.db2.gz AAJNRJATFDGTSV-KKUMJFAQSA-N 1 0 297.443 2.070 10 0 CEAERO C[C@@H](CCCC[NH3+])Nc1nc(C(F)(F)F)ns1 ZINC000310521072 201873916 /nfs/dbraw/zinc/87/39/16/201873916.db2.gz LYWAMXCDZCDWGK-LURJTMIESA-N 1 0 268.308 2.486 10 0 CEAERO CC[C@H](C)n1ccc(CN2CCC([NH2+]C)CC2)n1 ZINC000085171817 178961699 /nfs/dbraw/zinc/96/16/99/178961699.db2.gz LKRXFNPTXOXMCJ-LBPRGKRZSA-N 1 0 250.390 2.038 10 0 CEAERO [NH3+][C@]1(Cc2ccn(C3CCCCC3)n2)CCCOC1 ZINC000085181761 178965224 /nfs/dbraw/zinc/96/52/24/178965224.db2.gz DROOKXMWZUDYIU-HNNXBMFYSA-N 1 0 263.385 2.439 10 0 CEAERO CC[NH2+][C@](CO)(CN(C)c1ccc(C)cc1)C1CC1 ZINC000085213936 178978069 /nfs/dbraw/zinc/97/80/69/178978069.db2.gz CYABUVXMYIWHPO-INIZCTEOSA-N 1 0 262.397 2.182 10 0 CEAERO CCC[NH2+][C@@](C)(CO)CCN(CC(F)(F)F)C1CC1 ZINC000085241675 178983043 /nfs/dbraw/zinc/98/30/43/178983043.db2.gz PAIDTYXXYJPFSA-GFCCVEGCSA-N 1 0 282.350 2.154 10 0 CEAERO Cc1nc(C)c([C@H](C)NC[C@@H](O)C[NH+]2CCCCC2)s1 ZINC000178519032 232374482 /nfs/dbraw/zinc/37/44/82/232374482.db2.gz WJKPFPGXRBWNEK-SMDDNHRTSA-N 1 0 297.468 2.257 10 0 CEAERO C[C@H]1C[C@H]([NH3+])CN(c2ccc(C(F)(F)F)cn2)C1 ZINC000094553739 136514156 /nfs/dbraw/zinc/51/41/56/136514156.db2.gz LPJATPTYHVDZKK-WPRPVWTQSA-N 1 0 259.275 2.274 10 0 CEAERO CC[NH2+][C@H](C)C1CCN(c2ccc3nccnc3n2)CC1 ZINC000094725166 136514563 /nfs/dbraw/zinc/51/45/63/136514563.db2.gz HVBDRNSWDLGDDA-GFCCVEGCSA-N 1 0 285.395 2.239 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@H]1C(=O)N1CCOc2ccccc21 ZINC000094752624 136514663 /nfs/dbraw/zinc/51/46/63/136514663.db2.gz GESVKSGDBYWQDF-CHWSQXEVSA-N 1 0 274.364 2.320 10 0 CEAERO CCC[NH2+][C@@](C)(CO)COc1cc(C)ccc1C ZINC000085284616 179002554 /nfs/dbraw/zinc/00/25/54/179002554.db2.gz PYFYXPNLQDGVAU-HNNXBMFYSA-N 1 0 251.370 2.433 10 0 CEAERO C[NH2+][C@@](C)(CO)CCOc1ccccc1C(F)(F)F ZINC000085282965 179000678 /nfs/dbraw/zinc/00/06/78/179000678.db2.gz CKQUFUXNMWYIOY-GFCCVEGCSA-N 1 0 277.286 2.445 10 0 CEAERO C[NH2+][C@@](C)(CO)COc1ccccc1C(F)(F)F ZINC000085282954 179000945 /nfs/dbraw/zinc/00/09/45/179000945.db2.gz AYIPMQKEKFMUIY-NSHDSACASA-N 1 0 263.259 2.055 10 0 CEAERO CC(C)[NH2+][C@](CO)(COc1ccccc1F)C1CC1 ZINC000085284473 179002217 /nfs/dbraw/zinc/00/22/17/179002217.db2.gz NIYHROKTUINACC-OAHLLOKOSA-N 1 0 267.344 2.344 10 0 CEAERO CCCN(c1ccc(Br)cn1)C1C[NH2+]C1 ZINC000085271392 178998433 /nfs/dbraw/zinc/99/84/33/178998433.db2.gz DWYQEFWWIRMOFN-UHFFFAOYSA-N 1 0 270.174 2.032 10 0 CEAERO C[NH2+][C@@](C)(CO)C[C@H](C)Oc1ccc(C)cc1OC ZINC000085285988 179003469 /nfs/dbraw/zinc/00/34/69/179003469.db2.gz VGSCAYOGJXKRFL-SWLSCSKDSA-N 1 0 267.369 2.131 10 0 CEAERO CCCOc1ccc(OC[C@@](C)(CO)[NH2+]CC)cc1 ZINC000085286177 179004007 /nfs/dbraw/zinc/00/40/07/179004007.db2.gz BKFAKDUCEFJLAZ-OAHLLOKOSA-N 1 0 267.369 2.215 10 0 CEAERO Cc1ccc([C@H](NN)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000097641169 185642925 /nfs/dbraw/zinc/64/29/25/185642925.db2.gz AOGWAZDCKRWMDH-UYTSQGDYSA-N 1 0 259.397 2.372 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)CCSC1CCOCC1 ZINC000085290186 179006738 /nfs/dbraw/zinc/00/67/38/179006738.db2.gz YLSXUAANIBZCLT-ZDUSSCGKSA-N 1 0 261.431 2.038 10 0 CEAERO Clc1cncnc1N1CCC[C@H](C[NH2+]C2CC2)C1 ZINC000097848626 136523261 /nfs/dbraw/zinc/52/32/61/136523261.db2.gz ZWANSWLNTDAAMJ-SNVBAGLBSA-N 1 0 266.776 2.098 10 0 CEAERO COc1cccc(SCC[C@@H](CO)[NH2+]C2CC2)c1 ZINC000085291140 179007421 /nfs/dbraw/zinc/00/74/21/179007421.db2.gz ZNNKIQDXNVIQKC-LBPRGKRZSA-N 1 0 267.394 2.290 10 0 CEAERO C[C@H](C[C@@](C)(CO)[NH2+]C1CC1)Sc1ccccn1 ZINC000085292057 179007561 /nfs/dbraw/zinc/00/75/61/179007561.db2.gz DIKSNBQQHIUVNX-RISCZKNCSA-N 1 0 266.410 2.455 10 0 CEAERO CCC[NH2+][C@](C)(CO)C[C@@H](C)Sc1nncs1 ZINC000085292511 179008044 /nfs/dbraw/zinc/00/80/44/179008044.db2.gz MBQYUUMKQXUPSV-KOLCDFICSA-N 1 0 275.443 2.159 10 0 CEAERO C[NH+](C)CC[C@@H](Cc1ccc(C(F)(F)F)cc1)NN ZINC000097618447 185640251 /nfs/dbraw/zinc/64/02/51/185640251.db2.gz KLVYWPYOVSNAIE-LBPRGKRZSA-N 1 0 275.318 2.032 10 0 CEAERO OC[C@@](CSCc1ccco1)([NH2+]C1CC1)C1CC1 ZINC000085297931 179009051 /nfs/dbraw/zinc/00/90/51/179009051.db2.gz GAPHYTDLPWFBSQ-AWEZNQCLSA-N 1 0 267.394 2.406 10 0 CEAERO C[NH2+][C@](C)(CO)C[C@H](C)Oc1ccc(C)c(C)c1 ZINC000085284667 179003003 /nfs/dbraw/zinc/00/30/03/179003003.db2.gz ZUPFAKSNHPYBAD-ZFWWWQNUSA-N 1 0 251.370 2.431 10 0 CEAERO C[C@@H](C[C@](C)(O)C[NH3+])n1cc(-c2ccccc2)cn1 ZINC000085304453 179011295 /nfs/dbraw/zinc/01/12/95/179011295.db2.gz WXFWGOKXGRHYDW-WFASDCNBSA-N 1 0 259.353 2.211 10 0 CEAERO Cc1nn(C)c(CS[C@H](C)C[NH3+])c1Br ZINC000085306564 179012416 /nfs/dbraw/zinc/01/24/16/179012416.db2.gz LMLVORXWXRYJFM-ZCFIWIBFSA-N 1 0 278.219 2.071 10 0 CEAERO CCOc1ccccc1OCCCC[C@@](C)(O)C[NH3+] ZINC000085306637 179012708 /nfs/dbraw/zinc/01/27/08/179012708.db2.gz RQONBDODZXKXTB-OAHLLOKOSA-N 1 0 267.369 2.344 10 0 CEAERO COc1cccc(S[C@H](C)C[C@@](C)(O)C[NH3+])c1 ZINC000085308360 179013448 /nfs/dbraw/zinc/01/34/48/179013448.db2.gz JCSBDPDHRYFGDT-ZWNOBZJWSA-N 1 0 255.383 2.276 10 0 CEAERO Cc1nn(C)c(CSCCC[NH3+])c1Br ZINC000085315841 179013870 /nfs/dbraw/zinc/01/38/70/179013870.db2.gz FVTWLJGHEIVAEH-UHFFFAOYSA-N 1 0 278.219 2.073 10 0 CEAERO C[C@H](C[C@@](C)(O)C[NH3+])Sc1ncnc2ccccc21 ZINC000085320452 179014019 /nfs/dbraw/zinc/01/40/19/179014019.db2.gz SCVFVIUGPSTAAN-QMTHXVAHSA-N 1 0 277.393 2.210 10 0 CEAERO [NH3+]C[C@](O)(CSc1nc2ccccc2s1)C1CC1 ZINC000085320515 179014178 /nfs/dbraw/zinc/01/41/78/179014178.db2.gz JTILZXUFAVAPBK-ZDUSSCGKSA-N 1 0 280.418 2.488 10 0 CEAERO CCc1nn(C)c(CSC[C@H](C)C[NH3+])c1Cl ZINC000085336573 179023602 /nfs/dbraw/zinc/02/36/02/179023602.db2.gz WMIDRVJOCIMJJZ-MRVPVSSYSA-N 1 0 261.822 2.464 10 0 CEAERO COc1cc(-c2noc([C@@H]3CCCC[C@H]3[NH3+])n2)ccc1O ZINC000085325248 179017920 /nfs/dbraw/zinc/01/79/20/179017920.db2.gz BVQSELQDKWLDSW-GHMZBOCLSA-N 1 0 289.335 2.436 10 0 CEAERO COc1cc(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])c(OC)cc1Cl ZINC000085355674 179030234 /nfs/dbraw/zinc/03/02/34/179030234.db2.gz NCOHZACPBGAPNX-SCZZXKLOSA-N 1 0 298.770 2.423 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1cccc2cccnc21 ZINC000085355466 179030313 /nfs/dbraw/zinc/03/03/13/179030313.db2.gz DUOLMHQFZURHGL-VXGBXAGGSA-N 1 0 255.321 2.301 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000085356217 179030478 /nfs/dbraw/zinc/03/04/78/179030478.db2.gz IYIAPTSYNQVMCQ-VHSXEESVSA-N 1 0 298.289 2.464 10 0 CEAERO CC(=O)Nc1cc(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])ccc1C ZINC000085364930 179036146 /nfs/dbraw/zinc/03/61/46/179036146.db2.gz ZIWBMKCLMKQBQR-ZIAGYGMSSA-N 1 0 289.379 2.409 10 0 CEAERO CC(=O)Nc1ccc(C)c(NC(=O)[C@H]2CCC[C@H]2[NH3+])c1 ZINC000085359605 179031941 /nfs/dbraw/zinc/03/19/41/179031941.db2.gz QGPBVLWREPMSJF-QWHCGFSZSA-N 1 0 275.352 2.019 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000085360365 179032532 /nfs/dbraw/zinc/03/25/32/179032532.db2.gz ASYFOAFQBVVENU-HUUCEWRRSA-N 1 0 284.363 2.328 10 0 CEAERO COC(=O)c1cc(Cl)ccc1NC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085360404 179032573 /nfs/dbraw/zinc/03/25/73/179032573.db2.gz NCEHNADKAPIORD-GXSJLCMTSA-N 1 0 296.754 2.193 10 0 CEAERO CC1(C)Oc2ccc(NC(=O)[C@@H]3CCC[C@@H]3[NH3+])cc2O1 ZINC000085360213 179032610 /nfs/dbraw/zinc/03/26/10/179032610.db2.gz JIQNZRIUYSMBHQ-MNOVXSKESA-N 1 0 276.336 2.260 10 0 CEAERO CSc1ccccc1NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085360861 179033044 /nfs/dbraw/zinc/03/30/44/179033044.db2.gz REUMQEUJROHWCR-ZJUUUORDSA-N 1 0 250.367 2.474 10 0 CEAERO CC[C@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])c1ccc(OC)cc1 ZINC000085362890 179033975 /nfs/dbraw/zinc/03/39/75/179033975.db2.gz XGUDRBRROFPNLJ-ILXRZTDVSA-N 1 0 276.380 2.390 10 0 CEAERO COc1ccc([C@H](C)NC(=O)[C@H]2CCC[C@@H]2[NH3+])cc1F ZINC000085363244 179034888 /nfs/dbraw/zinc/03/48/88/179034888.db2.gz IZDROSFOVRIZAV-GAFUQQFSSA-N 1 0 280.343 2.139 10 0 CEAERO Cc1nc2cc(NC(=O)[C@H]3CCCC[C@@H]3[NH3+])ccc2[nH]1 ZINC000085363952 179035449 /nfs/dbraw/zinc/03/54/49/179035449.db2.gz QINMMGMGRFVWFI-RYUDHWBXSA-N 1 0 272.352 2.327 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000085365347 179036097 /nfs/dbraw/zinc/03/60/97/179036097.db2.gz PPLOGLRKVXLTKY-GARJFASQSA-N 1 0 278.318 2.305 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)N(Cc1ccco1)CC(F)(F)F ZINC000085366992 179037125 /nfs/dbraw/zinc/03/71/25/179037125.db2.gz CGYOJYKRADJMHH-QWRGUYRKSA-N 1 0 290.285 2.298 10 0 CEAERO CN(CCOc1ccccc1)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085366465 179037228 /nfs/dbraw/zinc/03/72/28/179037228.db2.gz AYAFAZWADIGYKH-GJZGRUSLSA-N 1 0 276.380 2.041 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)N1CC=C(c2ccccc2)CC1 ZINC000085367806 179037592 /nfs/dbraw/zinc/03/75/92/179037592.db2.gz LFHSPUWOGNSDFE-HZPDHXFCSA-N 1 0 270.376 2.430 10 0 CEAERO Cc1nc(C)c([C@@H](C)NC(=O)[C@H]2CCC[C@@H]2[NH3+])s1 ZINC000085370584 179040748 /nfs/dbraw/zinc/04/07/48/179040748.db2.gz NURXFOFYPGEWQV-MIMYLULJSA-N 1 0 267.398 2.065 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)NCCc1cccc(Cl)c1 ZINC000085371276 179041240 /nfs/dbraw/zinc/04/12/40/179041240.db2.gz UWHQPAOPTPSXOB-OLZOCXBDSA-N 1 0 266.772 2.126 10 0 CEAERO CC(C)Oc1ncccc1NC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085372312 179042150 /nfs/dbraw/zinc/04/21/50/179042150.db2.gz FRGDDCIIDFIABD-NWDGAFQWSA-N 1 0 277.368 2.325 10 0 CEAERO Cc1cccc(OCCNC(=O)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000085372919 179042362 /nfs/dbraw/zinc/04/23/62/179042362.db2.gz OWJHOKKHWIFZNP-HUUCEWRRSA-N 1 0 276.380 2.008 10 0 CEAERO CCN(C(=O)[C@H]1CCC[C@@H]1[NH3+])c1cccc(F)c1 ZINC000085373248 179042847 /nfs/dbraw/zinc/04/28/47/179042847.db2.gz KKAYCCZDPBPAFK-STQMWFEESA-N 1 0 250.317 2.306 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2CC1 ZINC000085376223 179044520 /nfs/dbraw/zinc/04/45/20/179044520.db2.gz RTBVRDMRQWAFFL-HZPDHXFCSA-N 1 0 272.392 2.131 10 0 CEAERO C[C@H](NC(=O)[C@H]1CCC[C@@H]1[NH3+])c1c(F)cccc1F ZINC000085365579 179036664 /nfs/dbraw/zinc/03/66/64/179036664.db2.gz RBFNFJHHKBURJV-AUTRQRHGSA-N 1 0 268.307 2.269 10 0 CEAERO C[NH2+]CCc1ccc(COCCOC(C)C)cc1 ZINC000097808845 185670206 /nfs/dbraw/zinc/67/02/06/185670206.db2.gz CXPBYGLRGQNVGP-UHFFFAOYSA-N 1 0 251.370 2.390 10 0 CEAERO CC(C)CO[C@H]1C[C@H]([NH2+]CCCc2nnc[nH]2)C1(C)C ZINC000085402210 179052666 /nfs/dbraw/zinc/05/26/66/179052666.db2.gz YTCYYHCFOWCZDH-STQMWFEESA-N 1 0 280.416 2.167 10 0 CEAERO O=C(Nc1cc(Br)ccc1F)[C@@H]1CC[NH2+]C1 ZINC000062112895 362707086 /nfs/dbraw/zinc/70/70/86/362707086.db2.gz DJLRVARZPZCXHP-SSDOTTSWSA-N 1 0 287.132 2.136 10 0 CEAERO CC(C)[NH2+]C[C@H](OC1COC1)c1ccccc1F ZINC000098059219 185678787 /nfs/dbraw/zinc/67/87/87/185678787.db2.gz CMXAJDQXZYLJNM-AWEZNQCLSA-N 1 0 253.317 2.280 10 0 CEAERO CCC[C@H]1CN(Cc2ccc(OC)c(F)c2)CC[NH2+]1 ZINC000085434708 179060992 /nfs/dbraw/zinc/06/09/92/179060992.db2.gz NLXXFYSPEDQGPE-ZDUSSCGKSA-N 1 0 266.360 2.408 10 0 CEAERO CC[C@@H]1CN(Cc2cccc3cccnc32)CC[NH2+]1 ZINC000085434619 179061474 /nfs/dbraw/zinc/06/14/74/179061474.db2.gz KLZZOINPCSBQMZ-OAHLLOKOSA-N 1 0 255.365 2.419 10 0 CEAERO CC(C)[C@@H]1CN(CCOCC(F)(F)F)C(C)(C)C[NH2+]1 ZINC000085467475 179072472 /nfs/dbraw/zinc/07/24/72/179072472.db2.gz XFNYKDBGYKNXKW-NSHDSACASA-N 1 0 282.350 2.274 10 0 CEAERO CC(C)[C@@H]1CN(Cc2ccn(C(C)C)n2)[C@@H](C)C[NH2+]1 ZINC000085450378 179064951 /nfs/dbraw/zinc/06/49/51/179064951.db2.gz WIUUTXZDAWUDLQ-ZFWWWQNUSA-N 1 0 264.417 2.282 10 0 CEAERO CC[C@@H](C)n1ccc(CN2CC[NH2+]C[C@@]2(C)CC)n1 ZINC000085451974 179065945 /nfs/dbraw/zinc/06/59/45/179065945.db2.gz CXBPRALVFJRHSU-UKRRQHHQSA-N 1 0 264.417 2.428 10 0 CEAERO CC[C@H](C)n1ccc(CN2CC[NH2+]C[C@@]2(C)CC)n1 ZINC000085451977 179066393 /nfs/dbraw/zinc/06/63/93/179066393.db2.gz CXBPRALVFJRHSU-DZGCQCFKSA-N 1 0 264.417 2.428 10 0 CEAERO CCCCOCCN1C[C@@H](C)[NH2+]CC12CCCC2 ZINC000085454389 179067005 /nfs/dbraw/zinc/06/70/05/179067005.db2.gz GNKSOZSOOUCPOJ-CQSZACIVSA-N 1 0 254.418 2.410 10 0 CEAERO C[C@@H]1CN(CCOc2ccccc2)[C@H](C2CC2)C[NH2+]1 ZINC000085453666 179067095 /nfs/dbraw/zinc/06/70/95/179067095.db2.gz FEAMGPFSNGDIDN-CJNGLKHVSA-N 1 0 260.381 2.138 10 0 CEAERO CC[C@]1(C)CN[C@@H](C)C[N@@H+]1[C@@H]1CCC[C@H](OC)C1 ZINC000085454196 179067178 /nfs/dbraw/zinc/06/71/78/179067178.db2.gz ZKNOIFOPHHGEKX-LJISPDSOSA-N 1 0 254.418 2.406 10 0 CEAERO c1cncc(CN2CC[NH2+]C[C@@H]2C2CCCCC2)c1 ZINC000085452990 179067390 /nfs/dbraw/zinc/06/73/90/179067390.db2.gz RIGIITJCJUDEKH-MRXNPFEDSA-N 1 0 259.397 2.436 10 0 CEAERO CCC[C@@H]1CN(Cc2ccncc2)[C@H](C2CC2)C[NH2+]1 ZINC000085455344 179067686 /nfs/dbraw/zinc/06/76/86/179067686.db2.gz SVEUNLDYTQYPGC-CVEARBPZSA-N 1 0 259.397 2.434 10 0 CEAERO CC[C@H]1C[N@@H+]([C@@H]2CCC[C@H](OC)C2)[C@@H](CC)CN1 ZINC000085472349 179077176 /nfs/dbraw/zinc/07/71/76/179077176.db2.gz LJODKUIRKPSHDI-XQLPTFJDSA-N 1 0 254.418 2.406 10 0 CEAERO CC[C@@H]1C[N@H+]([C@@H]2CCC[C@H](OC)C2)[C@H](C2CC2)CN1 ZINC000085473445 179078211 /nfs/dbraw/zinc/07/82/11/179078211.db2.gz BLVWMCGBBQICPV-WCVJEAGWSA-N 1 0 266.429 2.406 10 0 CEAERO CC[C@@H]1CN[C@](C)(CC)C[N@@H+]1CCCn1ccnc1 ZINC000085494461 179082039 /nfs/dbraw/zinc/08/20/39/179082039.db2.gz TVZQJTGKADJFBP-HUUCEWRRSA-N 1 0 264.417 2.126 10 0 CEAERO COCCC[N@@H+]1C[C@@H](C(C)(C)C)NC[C@@H]1C(C)C ZINC000085475881 179078507 /nfs/dbraw/zinc/07/85/07/179078507.db2.gz AFEPSLFFKMZGEI-KGLIPLIRSA-N 1 0 256.434 2.367 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1CNc1ncncc1Br ZINC000085480808 179080220 /nfs/dbraw/zinc/08/02/20/179080220.db2.gz IMKWUXZVIIKKMB-PSASIEDQSA-N 1 0 285.189 2.169 10 0 CEAERO CC[C@H](C)[C@@H]1C[N@H+](CCCOC)[C@H](C(C)C)CN1 ZINC000085491319 179080840 /nfs/dbraw/zinc/08/08/40/179080840.db2.gz PXWPYDOWLPJMFW-KKUMJFAQSA-N 1 0 256.434 2.367 10 0 CEAERO CCC[C@@H]1C[NH2+][C@H](CC(C)C)CN1[C@@H]1CCOC1 ZINC000085487628 179081361 /nfs/dbraw/zinc/08/13/61/179081361.db2.gz SCFXFWZTRLYVII-RBSFLKMASA-N 1 0 254.418 2.264 10 0 CEAERO CCC[C@H]1C[NH2+][C@H](C2CC2)CN1C[C@@H]1CCCCO1 ZINC000085523571 179088743 /nfs/dbraw/zinc/08/87/43/179088743.db2.gz BOMCFZCQEWFZPP-JYJNAYRXSA-N 1 0 266.429 2.408 10 0 CEAERO COCCC[N@@H+]1CC2(CCCCC2)NC[C@@H]1C1CC1 ZINC000085503191 179084711 /nfs/dbraw/zinc/08/47/11/179084711.db2.gz RCEGRBFNBNCWES-OAHLLOKOSA-N 1 0 266.429 2.410 10 0 CEAERO COCCN1CC2(CCCCC2)[NH2+]C[C@@H]1C1CC1 ZINC000085503272 179084767 /nfs/dbraw/zinc/08/47/67/179084767.db2.gz FQRDKRUGXYJPJS-CQSZACIVSA-N 1 0 252.402 2.020 10 0 CEAERO CC[C@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1cccc(OC)n1 ZINC000085510467 179085722 /nfs/dbraw/zinc/08/57/22/179085722.db2.gz DOOLISJYKQBBRO-DOTOQJQBSA-N 1 0 289.423 2.443 10 0 CEAERO CC1(C)C[NH2+][C@@](C)(C2CC2)CN1C[C@@H]1CCCCO1 ZINC000085514606 179086438 /nfs/dbraw/zinc/08/64/38/179086438.db2.gz POLISZYNXQHUDL-GOEBONIOSA-N 1 0 266.429 2.408 10 0 CEAERO COCC[N@@H+]1C[C@](C)(C2CC2)NCC12CCCCC2 ZINC000085516049 179087341 /nfs/dbraw/zinc/08/73/41/179087341.db2.gz FRKARCSWWUOFMK-OAHLLOKOSA-N 1 0 266.429 2.410 10 0 CEAERO CCC1(CC)CN[C@@](C)(C2CC2)C[N@@H+]1CCOC ZINC000085515621 179087644 /nfs/dbraw/zinc/08/76/44/179087644.db2.gz RQUYJVWUOXZNNS-CQSZACIVSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C2CC2)CN1Cc1ccn(C(C)C)n1 ZINC000085522754 179088913 /nfs/dbraw/zinc/08/89/13/179088913.db2.gz SQOLGAZZGWYULF-HOTGVXAUSA-N 1 0 276.428 2.426 10 0 CEAERO CCOCC[N@@H+]1C[C@@H](C2CC2)NC[C@@H]1[C@@H](C)CC ZINC000085524832 179089767 /nfs/dbraw/zinc/08/97/67/179089767.db2.gz QLXBDDCBDCZKIZ-AEGPPILISA-N 1 0 254.418 2.121 10 0 CEAERO CC(C)C[C@H]1CN[C@H](C2CC2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085525780 179089928 /nfs/dbraw/zinc/08/99/28/179089928.db2.gz BLLNQNXGRUXYRA-JYJNAYRXSA-N 1 0 266.429 2.264 10 0 CEAERO CC(C)C[C@@H]1C[NH2+][C@@H](C2CC2)CN1Cc1cnn(C)c1 ZINC000085526074 179089993 /nfs/dbraw/zinc/08/99/93/179089993.db2.gz BVWQAKUSIGFYGH-HZPDHXFCSA-N 1 0 276.428 2.019 10 0 CEAERO CC1(C)C[NH2+][C@H](C2CC2)CN1Cc1cn2ccccc2n1 ZINC000085528042 179090948 /nfs/dbraw/zinc/09/09/48/179090948.db2.gz VNZFRBDFOPNROR-HNNXBMFYSA-N 1 0 284.407 2.297 10 0 CEAERO [NH3+]CCSC[C@@H]1Cc2cc(Br)ccc2O1 ZINC000085538899 179092621 /nfs/dbraw/zinc/09/26/21/179092621.db2.gz AHCZYNYWYCLMLI-JTQLQIEISA-N 1 0 288.210 2.445 10 0 CEAERO C[NH2+][C@@](C)(CO)C[C@H](C)Oc1cc(C)ccc1F ZINC000085565060 179094758 /nfs/dbraw/zinc/09/47/58/179094758.db2.gz ODJZRKUWKBRJRL-SMDDNHRTSA-N 1 0 255.333 2.262 10 0 CEAERO CN(C)c1ccc(-n2c3c(nc2C2CC2)C[NH2+]CC3)cc1 ZINC000085570413 179096353 /nfs/dbraw/zinc/09/63/53/179096353.db2.gz HZIBNVJMPRKZMG-UHFFFAOYSA-N 1 0 282.391 2.461 10 0 CEAERO CO[C@@H]1CCC[C@H]1n1c2c(nc1C1CC1)C[NH2+]CC2 ZINC000085570818 179096387 /nfs/dbraw/zinc/09/63/87/179096387.db2.gz XPUYATYXCILQHQ-ZIAGYGMSSA-N 1 0 261.369 2.146 10 0 CEAERO CO[C@@H]1CCC[C@@H]1n1c2c(nc1C(C)C)C[NH2+]CC2 ZINC000085570853 179096656 /nfs/dbraw/zinc/09/66/56/179096656.db2.gz ZMFKGXJWENQDLB-UONOGXRCSA-N 1 0 263.385 2.392 10 0 CEAERO C[C@H]1CC[NH2+][C@H](C2CC2)CN1CCC(F)(F)F ZINC000085626444 179106805 /nfs/dbraw/zinc/10/68/05/179106805.db2.gz WYTPFTUXWDDKNA-ONGXEEELSA-N 1 0 250.308 2.401 10 0 CEAERO CC(C)Cc1nc2c(n1CC[C@H]1CCCO1)CC[NH2+]C2 ZINC000085573389 179098121 /nfs/dbraw/zinc/09/81/21/179098121.db2.gz QFCMHOXTFCOMBP-CYBMUJFWSA-N 1 0 277.412 2.296 10 0 CEAERO CCOC[C@H](C)n1c2c(nc1C(F)(F)F)C[NH2+]CC2 ZINC000085572869 179098538 /nfs/dbraw/zinc/09/85/38/179098538.db2.gz GIQLPSDYMXBAOG-QMMMGPOBSA-N 1 0 277.290 2.145 10 0 CEAERO CC(C)C[C@@H]1CN(CCOCC(F)(F)F)CCC[NH2+]1 ZINC000085611139 179102759 /nfs/dbraw/zinc/10/27/59/179102759.db2.gz NLQCFDXHKOJGPK-GFCCVEGCSA-N 1 0 282.350 2.275 10 0 CEAERO CCC[C@@H]1CN(Cc2ccn(C(C)C)n2)CCC[NH2+]1 ZINC000085612247 179103365 /nfs/dbraw/zinc/10/33/65/179103365.db2.gz CDHYCSOAPLURHC-CQSZACIVSA-N 1 0 264.417 2.428 10 0 CEAERO C[C@]1(c2ccccc2)C[N@H+](C[C@@H]2CCOC2)CCCN1 ZINC000085615782 179104258 /nfs/dbraw/zinc/10/42/58/179104258.db2.gz MFSRREBXOCWZTR-DOTOQJQBSA-N 1 0 274.408 2.234 10 0 CEAERO CC1CCN(CC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000085636560 179110151 /nfs/dbraw/zinc/11/01/51/179110151.db2.gz XACYPVLNWJVNJL-KFWWJZLASA-N 1 0 266.429 2.121 10 0 CEAERO Cc1csc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)n1 ZINC000085636317 179109074 /nfs/dbraw/zinc/10/90/74/179109074.db2.gz FCMQSEOJEUHKMI-DLOVCJGASA-N 1 0 252.383 2.355 10 0 CEAERO Cc1cc([C@@H]2NC(=O)CC[C@@H]2[NH3+])ccc1Br ZINC000085708904 179123656 /nfs/dbraw/zinc/12/36/56/179123656.db2.gz ICTYAQOOMIQBGV-JQWIXIFHSA-N 1 0 283.169 2.036 10 0 CEAERO CC[C@H]1C(=O)NCCN1c1ccc(F)cc1C[NH2+]C(C)C ZINC000110682908 136558019 /nfs/dbraw/zinc/55/80/19/136558019.db2.gz LDSYSDHXUQCZGO-AWEZNQCLSA-N 1 0 293.386 2.039 10 0 CEAERO CC(C)[NH2+]Cc1cc(F)ccc1N1CCNC(=O)C1(C)C ZINC000110661513 136558099 /nfs/dbraw/zinc/55/80/99/136558099.db2.gz KOPFTJBZVFEHPM-UHFFFAOYSA-N 1 0 293.386 2.039 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000111273206 136561353 /nfs/dbraw/zinc/56/13/53/136561353.db2.gz NKDPNUYZFDNFSP-KBPBESRZSA-N 1 0 293.842 2.318 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)N(C)C[C@H](C)Cc1ccc(OC)cc1 ZINC000236892578 370648108 /nfs/dbraw/zinc/64/81/08/370648108.db2.gz PYCAZBNVOOCRKB-CZUORRHYSA-N 1 0 292.423 2.460 10 0 CEAERO CCCc1nsc(NC[C@@]2(C)CCC[NH2+]C2)n1 ZINC000129366685 365850861 /nfs/dbraw/zinc/85/08/61/365850861.db2.gz GAWFRGCOCKUNFH-LBPRGKRZSA-N 1 0 254.403 2.292 10 0 CEAERO C[NH2+][C@H](Cc1sccc1Br)CN(C)C ZINC000085798907 179172963 /nfs/dbraw/zinc/17/29/63/179172963.db2.gz ODLNZVFVYNMXHZ-MRVPVSSYSA-N 1 0 277.231 2.203 10 0 CEAERO C[NH2+]C[C@@H]1CCCN(c2ncnc3ccsc32)C1 ZINC000040602032 136697274 /nfs/dbraw/zinc/69/72/74/136697274.db2.gz BHYKXSQFSHXEIZ-JTQLQIEISA-N 1 0 262.382 2.127 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCc1ccc(Cl)s1 ZINC000335594271 212306568 /nfs/dbraw/zinc/30/65/68/212306568.db2.gz XJKNRFMJVUZBIQ-WCBMZHEXSA-N 1 0 272.801 2.406 10 0 CEAERO CCCn1c2cc(F)ccc2nc1[C@]1([NH3+])CCOC1 ZINC000085849927 179188211 /nfs/dbraw/zinc/18/82/11/179188211.db2.gz QLGZDUYHSUTJLP-AWEZNQCLSA-N 1 0 263.316 2.160 10 0 CEAERO c1cc(C[N@H+]2CCC[C@H](Cn3cncn3)C2)cs1 ZINC000128463162 187372651 /nfs/dbraw/zinc/37/26/51/187372651.db2.gz NJYGRMFEBMCREL-LBPRGKRZSA-N 1 0 262.382 2.252 10 0 CEAERO Cc1ccc(Cl)c(NC(=O)[C@]2([NH3+])CCOC2)c1Cl ZINC000085867280 179192095 /nfs/dbraw/zinc/19/20/95/179192095.db2.gz NHFVUXVSUOOFGT-LBPRGKRZSA-N 1 0 289.162 2.358 10 0 CEAERO [NH3+][C@]1(C(=O)Nc2nc3ccc(Cl)cc3s2)CCOC1 ZINC000085867361 179192145 /nfs/dbraw/zinc/19/21/45/179192145.db2.gz UFFOMYZSBARWOL-GFCCVEGCSA-N 1 0 297.767 2.006 10 0 CEAERO C[C@H](c1cc2ccccc2o1)N(C)C(=O)[C@]1([NH3+])CCOC1 ZINC000085876421 179195581 /nfs/dbraw/zinc/19/55/81/179195581.db2.gz URTGNGJLMMNUEY-BZNIZROVSA-N 1 0 288.347 2.070 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1CNC(=O)CCc1ccccc1 ZINC000085965320 179205204 /nfs/dbraw/zinc/20/52/04/179205204.db2.gz QZIXHEQORXLUEL-LSDHHAIUSA-N 1 0 260.381 2.253 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1CNC(=O)c1cc(F)c(F)c(F)c1 ZINC000085964679 179205238 /nfs/dbraw/zinc/20/52/38/179205238.db2.gz LMLIEGMPDMGHBA-QPUJVOFHSA-N 1 0 286.297 2.351 10 0 CEAERO Cc1cccc(OCCC(=O)NC[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000085963804 179205366 /nfs/dbraw/zinc/20/53/66/179205366.db2.gz TZOSEHFKWYRZSM-GOEBONIOSA-N 1 0 290.407 2.398 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1CNC(=O)c1cc(F)ccc1F ZINC000085964660 179205402 /nfs/dbraw/zinc/20/54/02/179205402.db2.gz JJASQQXLBWEUMB-NOZJJQNGSA-N 1 0 268.307 2.212 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1CNC(=O)Cc1ccccc1F ZINC000085963751 179205504 /nfs/dbraw/zinc/20/55/04/179205504.db2.gz OTQCJRACGFODAB-JSGCOSHPSA-N 1 0 264.344 2.002 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1CNC(=O)c1ccc(F)cc1 ZINC000085967168 179205977 /nfs/dbraw/zinc/20/59/77/179205977.db2.gz KOSIDZDOEMMBEP-AAEUAGOBSA-N 1 0 250.317 2.073 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1CNC(=O)c1ccc(F)c(F)c1 ZINC000085966733 179206047 /nfs/dbraw/zinc/20/60/47/179206047.db2.gz NXTVKJXDHOACLK-GWCFXTLKSA-N 1 0 268.307 2.212 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1CNC(=O)Nc1ccc(F)cc1 ZINC000085970214 179206481 /nfs/dbraw/zinc/20/64/81/179206481.db2.gz VSTAIDRLTVBLND-GXFFZTMASA-N 1 0 265.332 2.465 10 0 CEAERO Cc1ccc(S(=O)(=O)NC[C@@H]2CCCC[C@H]2[NH3+])c(C)c1 ZINC000085971591 179206849 /nfs/dbraw/zinc/20/68/49/179206849.db2.gz FHDSPMSIWLDAQS-UONOGXRCSA-N 1 0 296.436 2.099 10 0 CEAERO C[C@H]([NH3+])[C@H](CO)Oc1ccccc1-c1ccccc1 ZINC000085919300 179199841 /nfs/dbraw/zinc/19/98/41/179199841.db2.gz UORAZIPYYXZDBF-LRDDRELGSA-N 1 0 257.333 2.441 10 0 CEAERO CCC[NH2+][C@@H](CCO)CN(C)CC1CCCCC1 ZINC000085922192 179200530 /nfs/dbraw/zinc/20/05/30/179200530.db2.gz KADUKLVQHAIQLU-HNNXBMFYSA-N 1 0 256.434 2.249 10 0 CEAERO CCC[NH2+][C@H](CCO)CN(C)C1CCCCCC1 ZINC000085921811 179200734 /nfs/dbraw/zinc/20/07/34/179200734.db2.gz YASOGVNEZFZWJF-CQSZACIVSA-N 1 0 256.434 2.392 10 0 CEAERO CCC[NH2+][C@H](CCO)Cn1c(CC)nc2ccccc21 ZINC000085923454 179201475 /nfs/dbraw/zinc/20/14/75/179201475.db2.gz XDASIAHBAONHMH-CYBMUJFWSA-N 1 0 275.396 2.349 10 0 CEAERO CCC[NH2+][C@H](CCO)CN(CCC)CC(F)(F)F ZINC000085922503 179201526 /nfs/dbraw/zinc/20/15/26/179201526.db2.gz PFZFHMIIFLSPPD-LLVKDONJSA-N 1 0 270.339 2.011 10 0 CEAERO CCC[NH2+][C@@H](CCO)COc1cc(F)cc(F)c1 ZINC000085927181 179202041 /nfs/dbraw/zinc/20/20/41/179202041.db2.gz KZSBTSBUNYFOAM-LBPRGKRZSA-N 1 0 259.296 2.094 10 0 CEAERO CCC[NH2+][C@H](CCO)C[S@](=O)c1ccccc1Cl ZINC000085926327 179202175 /nfs/dbraw/zinc/20/21/75/179202175.db2.gz BFWGZBZEDKPVJF-ADLMAVQZSA-N 1 0 289.828 2.198 10 0 CEAERO C[NH2+][C@@H](CCO)CSc1ccc2c(c1)CCC2 ZINC000085929075 179202748 /nfs/dbraw/zinc/20/27/48/179202748.db2.gz XGJATKBZSUNWNB-ZDUSSCGKSA-N 1 0 251.395 2.238 10 0 CEAERO COC(=O)[C@@H](C[NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccccc1 ZINC000085985636 179211732 /nfs/dbraw/zinc/21/17/32/179211732.db2.gz WFLFUKTTXJYFSB-JYJNAYRXSA-N 1 0 291.391 2.084 10 0 CEAERO O=C(C[NH2+]C[C@H]1CCCC[C@@H]1O)Nc1c(F)cccc1F ZINC000085986709 179212443 /nfs/dbraw/zinc/21/24/43/179212443.db2.gz IFHWSBJYXWQYDL-MFKMUULPSA-N 1 0 298.333 2.044 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CC[C@@H]1S(=O)(=O)c1cccc(Cl)c1 ZINC000086041692 179222447 /nfs/dbraw/zinc/22/24/47/179222447.db2.gz BSGIQKVIIXPLET-FXAINCCUSA-N 1 0 273.785 2.240 10 0 CEAERO CCC[NH2+][C@@H]1CC[C@@H](SCCC(=O)OC)[C@@H]1C ZINC000086043993 179222715 /nfs/dbraw/zinc/22/27/15/179222715.db2.gz RCJZACWFWRLREK-IJLUTSLNSA-N 1 0 259.415 2.449 10 0 CEAERO CC[NH2+][C@H]1CC[C@@H](Sc2ncnc3[nH]cnc32)[C@@H]1C ZINC000086045360 179222940 /nfs/dbraw/zinc/22/29/40/179222940.db2.gz AHIZRTGNVKWOET-KXUCPTDWSA-N 1 0 277.397 2.222 10 0 CEAERO C[C@@H]1CC[C@H](NC(=O)c2cccc(CC[NH3+])c2)[C@@H]1C ZINC000086068846 179224196 /nfs/dbraw/zinc/22/41/96/179224196.db2.gz RUPOYTQLDLEJJM-JMSVASOKSA-N 1 0 260.381 2.352 10 0 CEAERO C[C@@H]1CC[C@@H]([NH2+]Cc2cc(=O)n3ccccc3n2)[C@@H]1C ZINC000086076828 179225632 /nfs/dbraw/zinc/22/56/32/179225632.db2.gz YWMHMYWYYHTXJT-YRGRVCCFSA-N 1 0 271.364 2.219 10 0 CEAERO C[C@H]1C[N@H+](C[C@H](O)COCc2ccccc2)CC(C)(C)O1 ZINC000065448703 362822501 /nfs/dbraw/zinc/82/25/01/362822501.db2.gz ZEUAMYGUMVZQDB-HOCLYGCPSA-N 1 0 293.407 2.063 10 0 CEAERO CC[NH2+][C@@H](Cc1cc(C)ccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000086026876 179219934 /nfs/dbraw/zinc/21/99/34/179219934.db2.gz AGJALYXKQJRYLH-HOCLYGCPSA-N 1 0 295.448 2.259 10 0 CEAERO CC[NH2+][C@@H](Cc1ccc(C)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000086026788 179220097 /nfs/dbraw/zinc/22/00/97/179220097.db2.gz UHIVIIMXGYXAAL-CVEARBPZSA-N 1 0 295.448 2.259 10 0 CEAERO COC1(OC)CC(C[NH3+])(c2ccc(Cl)cc2)C1 ZINC000086035219 179221786 /nfs/dbraw/zinc/22/17/86/179221786.db2.gz VGJIZESCZUTORR-UHFFFAOYSA-N 1 0 255.745 2.319 10 0 CEAERO NNc1cccc(COc2ccc(F)c(F)c2)[nH+]1 ZINC000086117683 179235106 /nfs/dbraw/zinc/23/51/06/179235106.db2.gz ZLPZHYHRJOWXSA-UHFFFAOYSA-N 1 0 251.236 2.224 10 0 CEAERO CC[N@H+](Cc1cccs1)Cc1cc(NN)ccn1 ZINC000086135283 179236559 /nfs/dbraw/zinc/23/65/59/179236559.db2.gz ZBAZOWXGVXGKJK-UHFFFAOYSA-N 1 0 262.382 2.451 10 0 CEAERO c1ccc(C[C@H]2CN(CCc3ccncc3)CC[NH2+]2)cc1 ZINC000086142001 179237367 /nfs/dbraw/zinc/23/73/67/179237367.db2.gz CMDRZFFAGYUTAE-SFHVURJKSA-N 1 0 281.403 2.141 10 0 CEAERO CC[C@H](C)[C@H]1CN(Cc2csc(C)n2)CC[NH2+]1 ZINC000086144232 179237453 /nfs/dbraw/zinc/23/74/53/179237453.db2.gz CNLRGXKLASLLKX-GXFFZTMASA-N 1 0 253.415 2.271 10 0 CEAERO Fc1ccc(CN2CC[NH2+][C@@H](C3CC3)C2)cc1F ZINC000086145195 179237818 /nfs/dbraw/zinc/23/78/18/179237818.db2.gz ZXOZTQRNOYMBJP-CQSZACIVSA-N 1 0 252.308 2.149 10 0 CEAERO CCC1(CC)CN(Cc2ccc3c(c2)OCO3)CC[NH2+]1 ZINC000086148241 179239941 /nfs/dbraw/zinc/23/99/41/179239941.db2.gz HXYYVNMEJKRSSM-UHFFFAOYSA-N 1 0 276.380 2.379 10 0 CEAERO COc1cc(CN2CC[NH2+][C@H](C3CCCCC3)C2)ccn1 ZINC000086148561 179240090 /nfs/dbraw/zinc/24/00/90/179240090.db2.gz XVUBLZAOAZKLHO-INIZCTEOSA-N 1 0 289.423 2.444 10 0 CEAERO CC[C@]1(C)CN(CCOC2CCCCC2)CC[NH2+]1 ZINC000086149549 179240309 /nfs/dbraw/zinc/24/03/09/179240309.db2.gz MMTTWYLODULHRT-OAHLLOKOSA-N 1 0 254.418 2.410 10 0 CEAERO CC[C@H](COC)[N@@H+]1CCN[C@@](C)(c2ccccc2)C1 ZINC000086150344 179240966 /nfs/dbraw/zinc/24/09/66/179240966.db2.gz QSRGSWVQLFEUEN-HZPDHXFCSA-N 1 0 262.397 2.232 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C(C)C)CN1c1cnn(CC)c1 ZINC000086154275 179241378 /nfs/dbraw/zinc/24/13/78/179241378.db2.gz VFRMEBKEXPHWQY-JSGCOSHPSA-N 1 0 250.390 2.116 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C(C)C)CN1c1cnn(CC)c1 ZINC000086154274 179241739 /nfs/dbraw/zinc/24/17/39/179241739.db2.gz VFRMEBKEXPHWQY-OCCSQVGLSA-N 1 0 250.390 2.116 10 0 CEAERO CC(C)[C@H]1CN(CCOC2CCCC2)[C@@H](C)C[NH2+]1 ZINC000086175835 179245642 /nfs/dbraw/zinc/24/56/42/179245642.db2.gz NLCRXWIOCMQMAO-DZGCQCFKSA-N 1 0 254.418 2.264 10 0 CEAERO CC[C@@H](COC)[N@@H+]1C[C@H](C(C)C)NC[C@@H]1C(C)C ZINC000086176412 179246325 /nfs/dbraw/zinc/24/63/25/179246325.db2.gz SFZSZUQBYSOZEN-RRFJBIMHSA-N 1 0 256.434 2.366 10 0 CEAERO Cc1ncsc1CN1CC[NH2+][C@H](C(C)(C)C)C1 ZINC000086149033 179239490 /nfs/dbraw/zinc/23/94/90/179239490.db2.gz OLYGYHLMZLSLCZ-LBPRGKRZSA-N 1 0 253.415 2.271 10 0 CEAERO CC(C)C[C@@H]1CN(c2cnn(C)c2)[C@H](C(C)C)C[NH2+]1 ZINC000086218366 179249336 /nfs/dbraw/zinc/24/93/36/179249336.db2.gz FURYNZHQMOZQNK-HIFRSBDPSA-N 1 0 264.417 2.269 10 0 CEAERO CC[C@@H]1CN[C@](C)(CC)C[N@@H+]1[C@@H](C)[C@@H]1CCCO1 ZINC000086218208 179249436 /nfs/dbraw/zinc/24/94/36/179249436.db2.gz SPSCBZQHZKOZLQ-LJISPDSOSA-N 1 0 254.418 2.406 10 0 CEAERO CCn1cc(N2CC(C)(C)[NH2+]C[C@H]2C(C)C)cn1 ZINC000086218527 179249640 /nfs/dbraw/zinc/24/96/40/179249640.db2.gz GHLZWSKRNCRWGV-ZDUSSCGKSA-N 1 0 250.390 2.116 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@H](C2CC2)CN1CCc1cccnc1 ZINC000086223216 179251397 /nfs/dbraw/zinc/25/13/97/179251397.db2.gz LBXYTGRKAMITLZ-IRXDYDNUSA-N 1 0 273.424 2.333 10 0 CEAERO C[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1Cc1nccs1 ZINC000086226890 179253168 /nfs/dbraw/zinc/25/31/68/179253168.db2.gz NIHDAYSSEBHISE-MNOVXSKESA-N 1 0 253.415 2.352 10 0 CEAERO CC[C@@H]1CN(Cc2cnc(C)s2)[C@@H](CC)C[NH2+]1 ZINC000086226773 179253247 /nfs/dbraw/zinc/25/32/47/179253247.db2.gz PTLYFPLKTNHONM-NEPJUHHUSA-N 1 0 253.415 2.414 10 0 CEAERO C[C@H]1C[NH2+][C@H](C2CC2)CN1CCc1ccccc1F ZINC000086181369 179247727 /nfs/dbraw/zinc/24/77/27/179247727.db2.gz ODQYEFZMYSDXRL-LRDDRELGSA-N 1 0 262.372 2.441 10 0 CEAERO CC(C)C[C@@H]1C[N@H+](C[C@@H]2CCCOC2)[C@@H](C)CN1 ZINC000086260132 179259165 /nfs/dbraw/zinc/25/91/65/179259165.db2.gz ZSPXXWABZUQXPL-SOUVJXGZSA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@H]1C[NH2+][C@](C)(CC)CN1Cc1ccnc(C)n1 ZINC000086260220 179259242 /nfs/dbraw/zinc/25/92/42/179259242.db2.gz HIAULZAPSVEHLT-LSDHHAIUSA-N 1 0 262.401 2.138 10 0 CEAERO CCOC[C@H](C)[N@@H+]1C[C@](C)(C2CC2)NC[C@@H]1CC ZINC000086259688 179259274 /nfs/dbraw/zinc/25/92/74/179259274.db2.gz ZCKCBFPZBLYOML-AEGPPILISA-N 1 0 254.418 2.264 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](c2ccccc2)CN1Cc1nc(C)no1 ZINC000086260312 179259438 /nfs/dbraw/zinc/25/94/38/179259438.db2.gz QGZIUOMFSOKVES-LSDHHAIUSA-N 1 0 286.379 2.303 10 0 CEAERO CC(C)n1cc(N2C[C@@](C)(C3CC3)[NH2+]C[C@@H]2C)cn1 ZINC000086263458 179260381 /nfs/dbraw/zinc/26/03/81/179260381.db2.gz WKGGWOZICXKLPC-WFASDCNBSA-N 1 0 262.401 2.431 10 0 CEAERO CC[C@H]1CN[C@@](C)(C2CC2)C[N@@H+]1C[C@@H](C)COC ZINC000086260924 179260483 /nfs/dbraw/zinc/26/04/83/179260483.db2.gz ZOSWXZLCHGQPPR-VHDGCEQUSA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C2CC2)CN1Cc1ccc(OC)nc1 ZINC000086263913 179260922 /nfs/dbraw/zinc/26/09/22/179260922.db2.gz NRMUZJJHPZQBJL-CABCVRRESA-N 1 0 275.396 2.053 10 0 CEAERO CC[C@@H]1CN(Cc2nccn2C)[C@H](c2ccccc2)C[NH2+]1 ZINC000086264893 179260932 /nfs/dbraw/zinc/26/09/32/179260932.db2.gz DRHJSAZQEGICJG-CVEARBPZSA-N 1 0 284.407 2.345 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C2CC2)CN1Cc1scnc1C ZINC000086264630 179261448 /nfs/dbraw/zinc/26/14/48/179261448.db2.gz RIRUMNNUSGQVIZ-STQMWFEESA-N 1 0 265.426 2.414 10 0 CEAERO CC[C@H]1C[NH2+][C@@](C)(CC)CN1Cc1cscn1 ZINC000086265460 179262532 /nfs/dbraw/zinc/26/25/32/179262532.db2.gz WLABZZVBAQFNLG-STQMWFEESA-N 1 0 253.415 2.496 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C2CC2)CN1Cc1cscn1 ZINC000086265451 179262539 /nfs/dbraw/zinc/26/25/39/179262539.db2.gz QRPLBVQKWWQTJJ-OLZOCXBDSA-N 1 0 251.399 2.106 10 0 CEAERO Fc1ccccc1CCN1CCC[NH2+][C@H](C2CC2)C1 ZINC000086285759 179263396 /nfs/dbraw/zinc/26/33/96/179263396.db2.gz YNGPCYAOVWKLAU-INIZCTEOSA-N 1 0 262.372 2.442 10 0 CEAERO CCCN1C(=O)C[C@@H]([NH3+])[C@@H]1c1ccc2ccccc2n1 ZINC000086317442 179270181 /nfs/dbraw/zinc/27/01/81/179270181.db2.gz BFXHICOKHGHYFJ-MLGOLLRUSA-N 1 0 269.348 2.246 10 0 CEAERO Brc1csc(NC[C@@H]2CCC[NH2+]C2)n1 ZINC000086290636 179265767 /nfs/dbraw/zinc/26/57/67/179265767.db2.gz QJTQLJAIMUOHPL-SSDOTTSWSA-N 1 0 276.203 2.317 10 0 CEAERO Brc1csc(NCC[C@H]2CC[NH2+]C2)n1 ZINC000086290828 179265810 /nfs/dbraw/zinc/26/58/10/179265810.db2.gz BGEBWJIBLHPQKM-SSDOTTSWSA-N 1 0 276.203 2.317 10 0 CEAERO Cc1ncsc1CN1CCC[NH2+][C@@H](C(C)C)C1 ZINC000086297163 179267795 /nfs/dbraw/zinc/26/77/95/179267795.db2.gz SAOUOEXZLUHGGX-GFCCVEGCSA-N 1 0 253.415 2.271 10 0 CEAERO C[C@@H]1CN(CCc2cc(F)cc(F)c2)CCC[NH2+]1 ZINC000086294957 179267950 /nfs/dbraw/zinc/26/79/50/179267950.db2.gz FGMYBTPIUDHWKB-LLVKDONJSA-N 1 0 254.324 2.191 10 0 CEAERO CCC[NH2+][C@H]1CCCc2sc(N3CCN(C)CC3)nc21 ZINC000086442151 179293822 /nfs/dbraw/zinc/29/38/22/179293822.db2.gz GAFJRJUANDIAIB-LBPRGKRZSA-N 1 0 294.468 2.272 10 0 CEAERO C[NH2+][C@@H]1CCCc2sc(N3CCC(OC)CC3)nc21 ZINC000086442650 179294094 /nfs/dbraw/zinc/29/40/94/179294094.db2.gz FCJVAHIXIMEELG-LLVKDONJSA-N 1 0 281.425 2.355 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)Cc1cccc(OC)c1 ZINC000086446671 179294800 /nfs/dbraw/zinc/29/48/00/179294800.db2.gz WPLCDWPYFYKAMC-LSDHHAIUSA-N 1 0 290.407 2.227 10 0 CEAERO CC[C@H]1CN(C(=O)c2ccc(C)cc2O)[C@@H](CC)C[NH2+]1 ZINC000086448157 179295550 /nfs/dbraw/zinc/29/55/50/179295550.db2.gz OLKDPQYSIKDZGY-STQMWFEESA-N 1 0 276.380 2.303 10 0 CEAERO CC[C@@H]1CN(C(=O)c2ccc3[nH]cnc3c2)[C@@H](CC)C[NH2+]1 ZINC000086447567 179295668 /nfs/dbraw/zinc/29/56/68/179295668.db2.gz VABLBBDBJCNYGK-OLZOCXBDSA-N 1 0 286.379 2.166 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)Cc1ccccc1 ZINC000086446914 179295944 /nfs/dbraw/zinc/29/59/44/179295944.db2.gz VYIOHYZWQJZVPW-LSDHHAIUSA-N 1 0 260.381 2.218 10 0 CEAERO [NH2+]=C1NC[C@@H](c2cc(Br)cs2)N1C1CC1 ZINC000086473057 179300699 /nfs/dbraw/zinc/30/06/99/179300699.db2.gz OXVXVYXODNPYPJ-QMMMGPOBSA-N 1 0 286.198 2.344 10 0 CEAERO C[C@@H]([NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)c1cccnc1 ZINC000086485714 179301544 /nfs/dbraw/zinc/30/15/44/179301544.db2.gz SGIMWXHFNUNEQW-XBFCOCLRSA-N 1 0 282.409 2.088 10 0 CEAERO C[C@@]([NH3+])(c1nc([C@@H]2Cc3ccccc32)no1)C1CC1 ZINC000086486398 179301575 /nfs/dbraw/zinc/30/15/75/179301575.db2.gz SQCFOGXSGLWXJN-DOMZBBRYSA-N 1 0 255.321 2.342 10 0 CEAERO C[C@@]1(c2nc([C@@H]3Cc4ccccc43)no2)CCC[NH2+]1 ZINC000086486593 179301829 /nfs/dbraw/zinc/30/18/29/179301829.db2.gz LYWHRNMTZFRKSK-DOMZBBRYSA-N 1 0 255.321 2.356 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccnc([C@H]2Cc3ccccc32)n1 ZINC000086490804 179302650 /nfs/dbraw/zinc/30/26/50/179302650.db2.gz YFRIWRLTTAGUNH-DOMZBBRYSA-N 1 0 253.349 2.444 10 0 CEAERO CCN(CC)C(=O)CC[NH2+][C@@H](C)c1nccs1 ZINC000086509869 179303918 /nfs/dbraw/zinc/30/39/18/179303918.db2.gz WECDULPPRZFXFD-JTQLQIEISA-N 1 0 255.387 2.052 10 0 CEAERO C[C@H](c1nc(-c2nccs2)cs1)N1CC[NH2+]CC1 ZINC000086508058 179304052 /nfs/dbraw/zinc/30/40/52/179304052.db2.gz PPAKPOGYRSOMSY-SECBINFHSA-N 1 0 280.422 2.233 10 0 CEAERO CC[C@@H]1CN(S(=O)(=O)c2cccc(C)c2)[C@@H](CC)C[NH2+]1 ZINC000086463263 179296303 /nfs/dbraw/zinc/29/63/03/179296303.db2.gz LPMDGHAFFVJDGK-KGLIPLIRSA-N 1 0 296.436 2.146 10 0 CEAERO CC[C@H]1CN(CC(=O)N(C)C2CCCCC2)[C@@H](CC)C[NH2+]1 ZINC000086464113 179296330 /nfs/dbraw/zinc/29/63/30/179296330.db2.gz DXGCFXJULBBNJR-GJZGRUSLSA-N 1 0 295.471 2.240 10 0 CEAERO Cc1cc(C)c(C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)c(C)c1 ZINC000086467258 179296914 /nfs/dbraw/zinc/29/69/14/179296914.db2.gz RMSZSQKTVGAKPE-KBPBESRZSA-N 1 0 260.381 2.434 10 0 CEAERO CCNc1ncc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)s1 ZINC000130097936 365923615 /nfs/dbraw/zinc/92/36/15/365923615.db2.gz AZDRCYOAOXMLKJ-QWRGUYRKSA-N 1 0 296.440 2.033 10 0 CEAERO CCC1(CC)CC(C[NH2+]C(C)C)(S(C)(=O)=O)C1 ZINC000086521322 179306026 /nfs/dbraw/zinc/30/60/26/179306026.db2.gz KXBXIVYTPYGGGP-UHFFFAOYSA-N 1 0 261.431 2.368 10 0 CEAERO [NH2+]=C1NC[C@@H](c2ccccc2Br)N1C1CC1 ZINC000086472992 179300252 /nfs/dbraw/zinc/30/02/52/179300252.db2.gz MVBIVKDPEOPBPQ-NSHDSACASA-N 1 0 280.169 2.283 10 0 CEAERO [NH3+][C@@H](Cc1csc2ccccc12)[C@@H]1CCS(=O)(=O)C1 ZINC000086566388 179307916 /nfs/dbraw/zinc/30/79/16/179307916.db2.gz DQKRIHZQJLDGMW-MFKMUULPSA-N 1 0 295.429 2.206 10 0 CEAERO C[C@](O)(C[NH2+]C1CC1)c1cscc1Br ZINC000086558461 179308081 /nfs/dbraw/zinc/30/80/81/179308081.db2.gz FPMDTIRGWAAZDQ-JTQLQIEISA-N 1 0 276.199 2.470 10 0 CEAERO CCCNC(=O)[C@@H](C)[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC000086584501 179309079 /nfs/dbraw/zinc/30/90/79/179309079.db2.gz YEAXJKCOLOLFTI-SNVBAGLBSA-N 1 0 284.787 2.353 10 0 CEAERO [NH3+]C1(c2nc3cc(F)c(Br)cc3[nH]2)CC1 ZINC000086598528 179310628 /nfs/dbraw/zinc/31/06/28/179310628.db2.gz OXJNDRGOCVTGOR-UHFFFAOYSA-N 1 0 270.105 2.412 10 0 CEAERO CC[C@@H](C)N1C(=O)C[C@H]([NH2+]C(CC)(CC)CC)C1=O ZINC000086642489 179315708 /nfs/dbraw/zinc/31/57/08/179315708.db2.gz HMUJZUGFEJXKLX-NEPJUHHUSA-N 1 0 268.401 2.471 10 0 CEAERO COC[C@@H]([NH3+])Cc1cc(F)cc(Br)c1 ZINC000086696171 179320755 /nfs/dbraw/zinc/32/07/55/179320755.db2.gz OJDUOROQJLSZKJ-JTQLQIEISA-N 1 0 262.122 2.104 10 0 CEAERO Cc1nc(SCC[NH2+]C2CCOCC2)nc(C)c1C ZINC000086645244 179316303 /nfs/dbraw/zinc/31/63/03/179316303.db2.gz RBBMEFHQBNEKQV-UHFFFAOYSA-N 1 0 281.425 2.263 10 0 CEAERO O[C@H](c1ccc2c(c1)OCO2)[C@@H]1[NH2+]Cc2ccccc21 ZINC000086667407 179317048 /nfs/dbraw/zinc/31/70/48/179317048.db2.gz HBKGXYPTAYURDX-HZPDHXFCSA-N 1 0 269.300 2.293 10 0 CEAERO O[C@H](c1ccc2c(c1)OCCO2)[C@@H]1[NH2+]Cc2ccccc21 ZINC000086667107 179317054 /nfs/dbraw/zinc/31/70/54/179317054.db2.gz QFLNJKZMYGYQSO-IAGOWNOFSA-N 1 0 283.327 2.336 10 0 CEAERO CC(C)(C)C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000086776314 179329133 /nfs/dbraw/zinc/32/91/33/179329133.db2.gz NTPOSTSGRJTAIA-CYBMUJFWSA-N 1 0 268.401 2.046 10 0 CEAERO [NH3+]CC[C@H]1CCCCN1Cc1cnc(Cl)s1 ZINC000086777882 179329249 /nfs/dbraw/zinc/32/92/49/179329249.db2.gz SWZWJCJUZRCKJL-SECBINFHSA-N 1 0 259.806 2.500 10 0 CEAERO CCC1CCC(C[NH3+])(OCC(=O)N(C)C(C)C)CC1 ZINC000086713287 179322776 /nfs/dbraw/zinc/32/27/76/179322776.db2.gz WYDNXYIOTMOSCT-UHFFFAOYSA-N 1 0 270.417 2.168 10 0 CEAERO C[C@H](O[C@@]1(C[NH3+])CCC[C@@H](C)C1)C(=O)NC(C)(C)C ZINC000086712351 179322955 /nfs/dbraw/zinc/32/29/55/179322955.db2.gz QJFMUXJLJJSQTJ-XUJVJEKNSA-N 1 0 270.417 2.214 10 0 CEAERO C[N@@H+]1CCC[C@@H](Nc2ccc(-n3cc[nH]c3=O)cc2)CC1 ZINC000086818754 179347748 /nfs/dbraw/zinc/34/77/48/179347748.db2.gz DZHVUJDUQVMTMV-CYBMUJFWSA-N 1 0 286.379 2.062 10 0 CEAERO COC(=O)[C@]1(Nc2ccccc2C)CCC[N@H+](C)CC1 ZINC000086819814 179348469 /nfs/dbraw/zinc/34/84/69/179348469.db2.gz FZKMNVFYKYYNME-INIZCTEOSA-N 1 0 276.380 2.434 10 0 CEAERO C[N@@H+]1CCC[C@H](Nc2cccc(C(=O)NC3CC3)c2)CC1 ZINC000086817305 179344528 /nfs/dbraw/zinc/34/45/28/179344528.db2.gz CEXYHJHCLNMIDF-AWEZNQCLSA-N 1 0 287.407 2.475 10 0 CEAERO C[N@@H+]1CCC[C@H](Nc2cc(C(N)=O)ccc2Cl)CC1 ZINC000086817651 179345744 /nfs/dbraw/zinc/34/57/44/179345744.db2.gz VFPFBLCAJZNMOJ-NSHDSACASA-N 1 0 281.787 2.335 10 0 CEAERO CCC[N@@H+]1CCC[C@@H](N[C@@H](C)C(=O)N(CC)CC)CC1 ZINC000086839905 179351426 /nfs/dbraw/zinc/35/14/26/179351426.db2.gz GHZNBCXVTKVVPC-LSDHHAIUSA-N 1 0 283.460 2.097 10 0 CEAERO CC[N@@H+]1CCC[C@H](Nc2ccccc2CC(=O)NC)CC1 ZINC000086838417 179352177 /nfs/dbraw/zinc/35/21/77/179352177.db2.gz VYOXAZHLBSZRKS-HNNXBMFYSA-N 1 0 289.423 2.261 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NCc2cccnc2OC)CC1 ZINC000086840792 179352555 /nfs/dbraw/zinc/35/25/55/179352555.db2.gz SJSOXMSBPQJZTF-CQSZACIVSA-N 1 0 263.385 2.054 10 0 CEAERO CCC[N@@H+]1CCC[C@](N)(c2noc(C(C)C)n2)CC1 ZINC000086851754 179360031 /nfs/dbraw/zinc/36/00/31/179360031.db2.gz DNVRYMPAVISMMV-CQSZACIVSA-N 1 0 266.389 2.243 10 0 CEAERO CC[N@@H+]1CCC[C@@](C(=O)[O-])([NH+]2CCCCCC2)CC1 ZINC000086867828 179360901 /nfs/dbraw/zinc/36/09/01/179360901.db2.gz VWOBOGQURABDQM-OAHLLOKOSA-N 1 0 268.401 2.192 10 0 CEAERO CCC[N@H+](CC(=O)[O-])[C@H]1CCC[NH+](C(C)C)CC1 ZINC000086869060 179361759 /nfs/dbraw/zinc/36/17/59/179361759.db2.gz OWYDOYYWZHVJOA-ZDUSSCGKSA-N 1 0 256.390 2.046 10 0 CEAERO CCC[C@@H]([NH2+][C@@H]1CCC[N@@H+](C(C)C)CC1)C(=O)[O-] ZINC000086868679 179362019 /nfs/dbraw/zinc/36/20/19/179362019.db2.gz OBRSELYIOUEZGO-CHWSQXEVSA-N 1 0 256.390 2.092 10 0 CEAERO CCC[N@@H+]1CCC[C@@H]([NH+](CCC(=O)[O-])C2CC2)CC1 ZINC000086868719 179362033 /nfs/dbraw/zinc/36/20/33/179362033.db2.gz BYMYAKJUOVYQMT-CYBMUJFWSA-N 1 0 268.401 2.190 10 0 CEAERO CC[N@@H+]1CCC[C@H]([NH+]2CCC(CC)(C(=O)[O-])CC2)CC1 ZINC000086869174 179362853 /nfs/dbraw/zinc/36/28/53/179362853.db2.gz XFKSXOYBNQIIEB-AWEZNQCLSA-N 1 0 282.428 2.438 10 0 CEAERO CC[C@H](C)n1ccc(C[C@@]2([NH3+])CCCOCC2)n1 ZINC000086870537 179363555 /nfs/dbraw/zinc/36/35/55/179363555.db2.gz SHRAHKHMVREZGR-GXTWGEPZSA-N 1 0 251.374 2.295 10 0 CEAERO CN[C@@]1(c2nccs2)CCC[N@@H+](C(C)C)CC1 ZINC000086851375 179359042 /nfs/dbraw/zinc/35/90/42/179359042.db2.gz GPOFXLJZGLTDIZ-ZDUSSCGKSA-N 1 0 253.415 2.452 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH3+])c1cc(F)cc(F)c1 ZINC000086979093 179372596 /nfs/dbraw/zinc/37/25/96/179372596.db2.gz HFCDFXYRBFDXMG-GFCCVEGCSA-N 1 0 277.336 2.180 10 0 CEAERO CCC[NH2+]C[C@@H](CCCS(=O)(=O)CC)C(C)C ZINC000086980835 179372895 /nfs/dbraw/zinc/37/28/95/179372895.db2.gz HAOUPONRDIORLA-CYBMUJFWSA-N 1 0 263.447 2.473 10 0 CEAERO CCS(=O)(=O)CCCC(C)(C)C[NH2+]CC(C)C ZINC000086980983 179373115 /nfs/dbraw/zinc/37/31/15/179373115.db2.gz KMLUPCFGTBJVFB-UHFFFAOYSA-N 1 0 263.447 2.473 10 0 CEAERO CCS(=O)(=O)CCC[C@@H](C[NH2+]C)Cc1ccccc1 ZINC000086980771 179373407 /nfs/dbraw/zinc/37/34/07/179373407.db2.gz DFVOALIULVKHCT-OAHLLOKOSA-N 1 0 283.437 2.280 10 0 CEAERO [NH3+][C@]1(c2nc3c(s2)CCCC3)CCCOCC1 ZINC000086876922 179365260 /nfs/dbraw/zinc/36/52/60/179365260.db2.gz ZKUOJGDKJUONBQ-CYBMUJFWSA-N 1 0 252.383 2.376 10 0 CEAERO C[C@H]1CCC[C@@](C[NH3+])(N2CCOC(C)(C)C2)CC1 ZINC000086890721 179366312 /nfs/dbraw/zinc/36/63/12/179366312.db2.gz VXFAWBSEPOKRMW-DZGCQCFKSA-N 1 0 254.418 2.395 10 0 CEAERO CC1(C)CCC[C@@](C(=O)[O-])([N@@H+]2CCC[NH2+]CC2)CC1 ZINC000086915563 179366960 /nfs/dbraw/zinc/36/69/60/179366960.db2.gz BGKLQKYBERMHMP-OAHLLOKOSA-N 1 0 268.401 2.095 10 0 CEAERO CCC[C@H]1CCC[C@H]([NH2+]CCS(C)(=O)=O)CC1 ZINC000086943845 179368187 /nfs/dbraw/zinc/36/81/87/179368187.db2.gz KABBLCSQHPYDLR-STQMWFEESA-N 1 0 261.431 2.370 10 0 CEAERO CC(C)[C@H]1CCC[C@@H]([NH2+]C2CCN(CC(N)=O)CC2)CC1 ZINC000086943271 179368200 /nfs/dbraw/zinc/36/82/00/179368200.db2.gz WUOMQGZPZHKCJA-LSDHHAIUSA-N 1 0 295.471 2.131 10 0 CEAERO CC(C)(C)[C@H]1CCC[C@@H]([NH2+]CCNS(C)(=O)=O)CC1 ZINC000086955098 179368892 /nfs/dbraw/zinc/36/88/92/179368892.db2.gz CBEUIWVKDAPNKB-QWHCGFSZSA-N 1 0 290.473 2.120 10 0 CEAERO CC(C)[C@H]1CCC[C@@]([NH2+]CC2CC2)(C(N)=O)CC1 ZINC000086949498 179369060 /nfs/dbraw/zinc/36/90/60/179369060.db2.gz IAYRRYJUAWGFLA-ZFWWWQNUSA-N 1 0 252.402 2.446 10 0 CEAERO CN(C)CC[NH2+][C@@]1(CO)CCC[C@H](C(C)(C)C)CC1 ZINC000086962048 179369626 /nfs/dbraw/zinc/36/96/26/179369626.db2.gz GBZOEPQYLRRFHE-HOCLYGCPSA-N 1 0 270.461 2.495 10 0 CEAERO COCCCc1nc(C)c([C@H](C)C[NH2+]CCOC)c(C)n1 ZINC000086971640 179370749 /nfs/dbraw/zinc/37/07/49/179370749.db2.gz AKBLIGSGRUXAET-GFCCVEGCSA-N 1 0 295.427 2.012 10 0 CEAERO Cc1nc(C[C@H]([NH3+])[C@@H]2CSCCS2)cs1 ZINC000086984255 179373896 /nfs/dbraw/zinc/37/38/96/179373896.db2.gz PGVZIMLPLJQMNB-UWVGGRQHSA-N 1 0 260.453 2.170 10 0 CEAERO CCS(=O)(=O)CCCOc1ccc(Cl)cc1C[NH3+] ZINC000086972675 179371667 /nfs/dbraw/zinc/37/16/67/179371667.db2.gz VFYYRXFOPUBJJT-UHFFFAOYSA-N 1 0 291.800 2.002 10 0 CEAERO CCC[NH2+]Cc1ccc(OCCCS(=O)(=O)CC)cc1 ZINC000086972701 179371715 /nfs/dbraw/zinc/37/17/15/179371715.db2.gz UXXSZLJMYYMPJU-UHFFFAOYSA-N 1 0 299.436 2.390 10 0 CEAERO CCS(=O)(=O)CCC[C@H]1Cc2ccccc2[C@H]1[NH2+]C ZINC000086976325 179371868 /nfs/dbraw/zinc/37/18/68/179371868.db2.gz MLYFCRUCDQUQTQ-ZFWWWQNUSA-N 1 0 281.421 2.334 10 0 CEAERO CC[NH2+][C@H](C)[C@@H](CCCS(=O)(=O)CC)C(C)C ZINC000086976620 179372168 /nfs/dbraw/zinc/37/21/68/179372168.db2.gz PWDZBMLFAQTVQD-OLZOCXBDSA-N 1 0 263.447 2.472 10 0 CEAERO Cc1cc(C(=O)NCCCC[NH3+])sc1Br ZINC000087017977 179380855 /nfs/dbraw/zinc/38/08/55/179380855.db2.gz BEGLZNMBACLEIX-UHFFFAOYSA-N 1 0 291.214 2.288 10 0 CEAERO Cc1cc(-c2nc(CC[NH3+])no2)sc1Br ZINC000087018653 179381037 /nfs/dbraw/zinc/38/10/37/179381037.db2.gz QTTLRXAEFDNDCG-UHFFFAOYSA-N 1 0 288.170 2.370 10 0 CEAERO CC[C@@](C)(O)C[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000087028123 179381615 /nfs/dbraw/zinc/38/16/15/179381615.db2.gz RSHSVMNPUOSQAZ-CHWSQXEVSA-N 1 0 291.313 2.489 10 0 CEAERO [NH3+][C@H]1CCCc2nc([C@H]3CSCCO3)sc21 ZINC000086989838 179374583 /nfs/dbraw/zinc/37/45/83/179374583.db2.gz XEVWICGKOLYJOL-IONNQARKSA-N 1 0 256.396 2.284 10 0 CEAERO COc1ccc([C@H](C[NH3+])N(C)C[C@@H]2CCCCO2)cc1F ZINC000086991804 179375638 /nfs/dbraw/zinc/37/56/38/179375638.db2.gz CKLGSNJTLCZAOA-ZFWWWQNUSA-N 1 0 296.386 2.335 10 0 CEAERO CCC(O)(CC)C[NH2+]C[C@H](O)COC[C@H]1CC=CC[C@@H]1C ZINC000087028439 179381933 /nfs/dbraw/zinc/38/19/33/179381933.db2.gz BOFPYWOXZWNEGZ-XHSDSOJGSA-N 1 0 299.455 2.107 10 0 CEAERO CCN(C[C@@H](C)C[NH3+])C(=O)c1c(F)cc(F)cc1F ZINC000086995721 179376796 /nfs/dbraw/zinc/37/67/96/179376796.db2.gz WRUJFSJXQUQDNS-QMMMGPOBSA-N 1 0 274.286 2.161 10 0 CEAERO C[C@@H](NC(=O)c1c(F)cc(F)cc1F)[C@@H]1CCCC[NH2+]1 ZINC000086996389 179376861 /nfs/dbraw/zinc/37/68/61/179376861.db2.gz AFZGGJDDFVFTQZ-PELKAZGASA-N 1 0 286.297 2.364 10 0 CEAERO C[C@H]1CCC[C@@H](C[NH3+])N1C(=O)c1c(F)cc(F)cc1F ZINC000086998026 179377320 /nfs/dbraw/zinc/37/73/20/179377320.db2.gz WLJVJUKJPDEEPS-WPRPVWTQSA-N 1 0 286.297 2.446 10 0 CEAERO C[C@@H]1C[C@@H]([NH3+])CN(Cc2ccc(Br)o2)C1 ZINC000087040079 179386726 /nfs/dbraw/zinc/38/67/26/179386726.db2.gz BTTZCVJDWPCAIQ-RKDXNWHRSA-N 1 0 273.174 2.211 10 0 CEAERO [NH3+]C[C@H]1CC[C@H](COCc2ccc(Cl)cc2)O1 ZINC000087096162 179394393 /nfs/dbraw/zinc/39/43/93/179394393.db2.gz ZEKFDLNLGSCYFS-CHWSQXEVSA-N 1 0 255.745 2.363 10 0 CEAERO CCC1CCC(O)(C[NH2+][C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000087065768 179389980 /nfs/dbraw/zinc/38/99/80/179389980.db2.gz DHZAWRWPFDSXRE-CBCUQQMYSA-N 1 0 296.455 2.355 10 0 CEAERO C[C@@H]1CCC[C@](O)(C[NH2+]Cc2ncc(Cl)n2C)C1 ZINC000087065399 179390088 /nfs/dbraw/zinc/39/00/88/179390088.db2.gz PZOGRXBFJXCNFG-ZWNOBZJWSA-N 1 0 271.792 2.104 10 0 CEAERO Cc1nc(C[NH2+]C[C@]2(O)CCC[C@H](C)C2)oc1C ZINC000087065467 179390182 /nfs/dbraw/zinc/39/01/82/179390182.db2.gz RWJIITTXUDDDIR-HZMBPMFUSA-N 1 0 252.358 2.322 10 0 CEAERO C[C@H]1CCC[C@](O)(C[NH2+]Cc2cn3ccccc3n2)C1 ZINC000087064169 179390187 /nfs/dbraw/zinc/39/01/87/179390187.db2.gz IWKRDMKHFXETCJ-XJKSGUPXSA-N 1 0 273.380 2.365 10 0 CEAERO CCCC1(C(=O)NC[C@]2(O)CCC[C@H](C)C2)CC[NH2+]CC1 ZINC000087069374 179391296 /nfs/dbraw/zinc/39/12/96/179391296.db2.gz BOIFXGNRIDWWKG-YOEHRIQHSA-N 1 0 296.455 2.214 10 0 CEAERO CCC1CCC(O)(CNC(=O)[C@@]2([NH3+])CCC[C@@H](C)C2)CC1 ZINC000087070325 179391494 /nfs/dbraw/zinc/39/14/94/179391494.db2.gz SPOWTDYFHIUSCQ-RKHAHWSXSA-N 1 0 296.455 2.342 10 0 CEAERO CC[NH2+][C@@H](CSC(C)C)Cc1cnccc1N ZINC000087113481 179395620 /nfs/dbraw/zinc/39/56/20/179395620.db2.gz BCAFAFPZGOVDAA-GFCCVEGCSA-N 1 0 253.415 2.326 10 0 CEAERO NC(=O)c1ccc(F)c(C[NH2+]CC2(O)CCCCCC2)c1 ZINC000087089353 179393464 /nfs/dbraw/zinc/39/34/64/179393464.db2.gz NYYJYWVQWWXDGH-UHFFFAOYSA-N 1 0 294.370 2.100 10 0 CEAERO Clc1ccc(COCC[NH2+]C[C@@H]2CCOC2)cc1 ZINC000087096806 179394040 /nfs/dbraw/zinc/39/40/40/179394040.db2.gz DQTJBWVJPJGNEK-ZDUSSCGKSA-N 1 0 269.772 2.483 10 0 CEAERO CC[C@@H](C)SCc1nccc(C[NH2+]CCOC)n1 ZINC000087139967 179397155 /nfs/dbraw/zinc/39/71/55/179397155.db2.gz KZJDQQMBMQJOEX-LLVKDONJSA-N 1 0 269.414 2.244 10 0 CEAERO C[C@H]([NH3+])C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000087153069 179398295 /nfs/dbraw/zinc/39/82/95/179398295.db2.gz KNVWPXQMPLNIFP-YFKPBYRVSA-N 1 0 277.549 2.388 10 0 CEAERO COc1cccc(N(CCC[NH3+])CC[C@H]2CCCO2)c1 ZINC000087246570 179404920 /nfs/dbraw/zinc/40/49/20/179404920.db2.gz ODBHFFBCBKFJFR-OAHLLOKOSA-N 1 0 278.396 2.420 10 0 CEAERO COc1cccc([C@@H](C[NH2+]CC[C@@H]2CCCO2)N(C)C)c1 ZINC000087247206 179405214 /nfs/dbraw/zinc/40/52/14/179405214.db2.gz LVQDHPOKYAKVPE-DOTOQJQBSA-N 1 0 292.423 2.457 10 0 CEAERO [NH3+]C[C@H](c1ccccc1F)[C@@H](O)CCc1ccco1 ZINC000087369739 179416478 /nfs/dbraw/zinc/41/64/78/179416478.db2.gz NRKDMIDILBAYOG-HIFRSBDPSA-N 1 0 263.312 2.455 10 0 CEAERO COc1ccc([C@H](O)[C@@H](C[NH3+])c2ccccc2OC)cc1 ZINC000087371162 179416541 /nfs/dbraw/zinc/41/65/41/179416541.db2.gz WAVDYLWAEHCLPG-RDJZCZTQSA-N 1 0 287.359 2.480 10 0 CEAERO COc1ccccc1[C@H](C[NH3+])[C@H](O)c1ccccc1 ZINC000087371193 179416545 /nfs/dbraw/zinc/41/65/45/179416545.db2.gz IQGYGLWZFLHMTH-GOEBONIOSA-N 1 0 257.333 2.471 10 0 CEAERO CCOc1ccc([C@@H](O)[C@H](C)C[NH3+])cc1OCC ZINC000087375478 179417100 /nfs/dbraw/zinc/41/71/00/179417100.db2.gz BWGWTNHAROBFMR-YGRLFVJLSA-N 1 0 253.342 2.112 10 0 CEAERO Cc1ccoc1[C@H](O)[C@H](C[NH3+])c1ccc2c(c1)OCCO2 ZINC000087382064 179417637 /nfs/dbraw/zinc/41/76/37/179417637.db2.gz HTPCUBYYDSITMF-IUODEOHRSA-N 1 0 289.331 2.135 10 0 CEAERO CC(C)[C@H](C[NH3+])Nc1ccc(C(F)(F)F)cc1C(N)=O ZINC000087405996 179420040 /nfs/dbraw/zinc/42/00/40/179420040.db2.gz YEYNPXJJJDYRFR-NSHDSACASA-N 1 0 289.301 2.200 10 0 CEAERO CCC[NH2+][C@@H]1CCC[C@@H]1c1nc(-c2cnn(C)c2)no1 ZINC000087426995 179424332 /nfs/dbraw/zinc/42/43/32/179424332.db2.gz ZSSTVQRCRMAXCO-NWDGAFQWSA-N 1 0 275.356 2.106 10 0 CEAERO Cc1ccccc1[C@H](CN1CCOCC1)[NH2+][C@H]1C[C@H]1C ZINC000248508709 539636897 /nfs/dbraw/zinc/63/68/97/539636897.db2.gz YGGBKMCVDSSZCM-PVAVHDDUSA-N 1 0 274.408 2.366 10 0 CEAERO CCCc1nsc(-n2c(CC[NH3+])nc3ccccc32)n1 ZINC000087643950 179463837 /nfs/dbraw/zinc/46/38/37/179463837.db2.gz MLCIKZMKPDULFT-UHFFFAOYSA-N 1 0 287.392 2.331 10 0 CEAERO CCCCN(CC[NH3+])c1nc(C(C)(C)C)ns1 ZINC000087643910 179463847 /nfs/dbraw/zinc/46/38/47/179463847.db2.gz UEEASNPXNISZIZ-UHFFFAOYSA-N 1 0 256.419 2.401 10 0 CEAERO C[C@@H]([NH3+])CCC[C@@H](C)C(=O)Nc1ccc(F)c(C(N)=O)c1 ZINC000087693743 179471092 /nfs/dbraw/zinc/47/10/92/179471092.db2.gz UEQQBFUJAMVJQA-NXEZZACHSA-N 1 0 295.358 2.017 10 0 CEAERO CCC(CC)n1ccc(C[C@H]([NH3+])[C@@H]2CCCO2)n1 ZINC000087802056 179488213 /nfs/dbraw/zinc/48/82/13/179488213.db2.gz MSZCDHHHKNJOBR-KBPBESRZSA-N 1 0 251.374 2.293 10 0 CEAERO CC(C)[C@@H](C[NH3+])C(=O)N[C@@H](C)c1cc(F)ccc1F ZINC000087517122 179438379 /nfs/dbraw/zinc/43/83/79/179438379.db2.gz DEJVBAAZTUJPKR-JOYOIKCWSA-N 1 0 270.323 2.373 10 0 CEAERO COC(=O)c1ccc(Cl)c(NC(=O)[C@H](C[NH3+])C(C)C)c1 ZINC000087519444 179438960 /nfs/dbraw/zinc/43/89/60/179438960.db2.gz KNXCHRAWCXCRPI-SNVBAGLBSA-N 1 0 298.770 2.296 10 0 CEAERO CC[C@H](C[NH3+])C(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000087519779 179439576 /nfs/dbraw/zinc/43/95/76/179439576.db2.gz HARFRTPIGBVGAV-IUODEOHRSA-N 1 0 272.348 2.470 10 0 CEAERO COc1ccccc1[C@@H](C)N(C)C(=O)[C@@H](C[NH3+])C(C)C ZINC000087525709 179440839 /nfs/dbraw/zinc/44/08/39/179440839.db2.gz XOHILPYIDCUDMZ-OCCSQVGLSA-N 1 0 278.396 2.446 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N(C)Cc1ccc(F)c(F)c1 ZINC000087525478 179440857 /nfs/dbraw/zinc/44/08/57/179440857.db2.gz HZJHYWVIPYWFME-LLVKDONJSA-N 1 0 270.323 2.298 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)N(C)Cc1ccccc1OCC ZINC000087527496 179441274 /nfs/dbraw/zinc/44/12/74/179441274.db2.gz FNRWPHVWUUEWRO-ZDUSSCGKSA-N 1 0 278.396 2.419 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)Nc1cccnc1OC(C)C ZINC000087533057 179441590 /nfs/dbraw/zinc/44/15/90/179441590.db2.gz NLKASTJGNMANOR-NSHDSACASA-N 1 0 265.357 2.182 10 0 CEAERO C[NH2+][C@H](Cc1c(Br)c(C)nn1C)CC1CC1 ZINC000087582588 179450788 /nfs/dbraw/zinc/45/07/88/179450788.db2.gz JAJRKQHCZBAKTE-JTQLQIEISA-N 1 0 286.217 2.422 10 0 CEAERO CCCCCN(C)c1cc(NN)[nH+]c(CCC)n1 ZINC000087907950 179517451 /nfs/dbraw/zinc/51/74/51/179517451.db2.gz PJZNXEWGTURQDE-UHFFFAOYSA-N 1 0 251.378 2.341 10 0 CEAERO Nc1cc([C@@H]2COCC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000616659627 348551711 /nfs/dbraw/zinc/55/17/11/348551711.db2.gz GYUPXWHZOMKPHY-INIZCTEOSA-N 1 0 283.375 2.110 10 0 CEAERO Nc1cc([C@H]2CC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000616634601 348541858 /nfs/dbraw/zinc/54/18/58/348541858.db2.gz VDUQAYJFYQKEAZ-HNNXBMFYSA-N 1 0 253.349 2.484 10 0 CEAERO OCc1ccc([C@H]2C[NH2+]CCN2Cc2ccccc2)cc1 ZINC000616637074 348543090 /nfs/dbraw/zinc/54/30/90/348543090.db2.gz RPULVHUCESFWJO-GOSISDBHSA-N 1 0 282.387 2.325 10 0 CEAERO CC(C)[N@@H+]1CCOCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC000616655387 348549963 /nfs/dbraw/zinc/54/99/63/348549963.db2.gz CRSWSFUGFCPKTG-ZDUSSCGKSA-N 1 0 286.416 2.401 10 0 CEAERO CC(C)[N@@H+]1CCOC[C@H](c2cccc3ccnnc32)C1 ZINC000616658324 348550488 /nfs/dbraw/zinc/55/04/88/348550488.db2.gz DCFYLGDCNUWFLG-CQSZACIVSA-N 1 0 271.364 2.454 10 0 CEAERO C[NH2+][C@H](Cc1csc2ccccc12)[C@@H]1COCCO1 ZINC000087857739 179502308 /nfs/dbraw/zinc/50/23/08/179502308.db2.gz BQSPSJJRXHYCQG-KGLIPLIRSA-N 1 0 277.389 2.447 10 0 CEAERO CC[NH2+][C@H](c1cnc2ccccc2c1)[C@@H]1COCCO1 ZINC000087857879 179502374 /nfs/dbraw/zinc/50/23/74/179502374.db2.gz KAIKLDAQOGOXTL-JKSUJKDBSA-N 1 0 272.348 2.301 10 0 CEAERO [NH3+]C[C@H](S[C@H]1CCOC1)C(F)(F)C(F)(F)F ZINC000616569525 348523444 /nfs/dbraw/zinc/52/34/44/348523444.db2.gz LYTGMCLINBTHCS-WDSKDSINSA-N 1 0 265.247 2.033 10 0 CEAERO CCC[C@@H](c1nc(C)cc(C(F)F)n1)N1CC[NH2+]CC1 ZINC000616580406 348526231 /nfs/dbraw/zinc/52/62/31/348526231.db2.gz WSTDXDVYRWGCIW-LBPRGKRZSA-N 1 0 284.354 2.469 10 0 CEAERO Nc1cc([C@@H]2CCOCC[N@@H+]2Cc2ccccc2)ccn1 ZINC000616598318 348529084 /nfs/dbraw/zinc/52/90/84/348529084.db2.gz OZKMUNMEUHTVBU-INIZCTEOSA-N 1 0 283.375 2.458 10 0 CEAERO CCOC(=O)N1CC[NH2+]C[C@@H]1c1ccnc2ccccc21 ZINC000616604734 348531631 /nfs/dbraw/zinc/53/16/31/348531631.db2.gz ZBHOMZZACNNAHP-OAHLLOKOSA-N 1 0 285.347 2.338 10 0 CEAERO CC(=O)Nc1cccc([C@H]2CCCC[N@@H+]2CCO)c1 ZINC000616614849 348535136 /nfs/dbraw/zinc/53/51/36/348535136.db2.gz WYRMFICYCSMKPD-OAHLLOKOSA-N 1 0 262.353 2.164 10 0 CEAERO CCOC(=O)c1cccc(C2CCN(CC[NH3+])CC2)c1 ZINC000616619144 348536304 /nfs/dbraw/zinc/53/63/04/348536304.db2.gz GJUHXKUNQVTRSD-UHFFFAOYSA-N 1 0 276.380 2.001 10 0 CEAERO [NH3+]CCN1CCC[C@H](c2cccc3ccncc32)C1 ZINC000616620803 348537430 /nfs/dbraw/zinc/53/74/30/348537430.db2.gz LPPPYBDDSQKQSZ-AWEZNQCLSA-N 1 0 255.365 2.373 10 0 CEAERO [NH3+]CCN1CCCCC[C@H]1c1ccc(CCO)cc1 ZINC000616625538 348538332 /nfs/dbraw/zinc/53/83/32/348538332.db2.gz PNNNQRWHDJZMPE-INIZCTEOSA-N 1 0 262.397 2.097 10 0 CEAERO CCn1cc(C[C@@H]([NH3+])[C@H]2CCOc3ccccc32)cn1 ZINC000088019553 179536283 /nfs/dbraw/zinc/53/62/83/179536283.db2.gz WQBVOEBIXXWDGI-DZGCQCFKSA-N 1 0 271.364 2.339 10 0 CEAERO Cc1cc(C[C@H](C)[NH3+])nc([C@@H]2COc3ccccc3C2)n1 ZINC000088040515 179537666 /nfs/dbraw/zinc/53/76/66/179537666.db2.gz BTJBTFQLHRJLHO-FZMZJTMJSA-N 1 0 283.375 2.393 10 0 CEAERO CCOC(=O)CC1([NH+]2CCN(C)CC2)CCC(C)CC1 ZINC000088045961 179540008 /nfs/dbraw/zinc/54/00/08/179540008.db2.gz HCGMUPSXUDYAST-UHFFFAOYSA-N 1 0 282.428 2.136 10 0 CEAERO COc1cccc(F)c1C(=O)N[C@@H]1CCCCC[C@H]1[NH3+] ZINC000088081102 179545626 /nfs/dbraw/zinc/54/56/26/179545626.db2.gz LUCBTUMXVZABKJ-VXGBXAGGSA-N 1 0 280.343 2.224 10 0 CEAERO CC[NH2+]C[C@@H](CCOCCOC)c1ccccc1 ZINC000088097799 179547428 /nfs/dbraw/zinc/54/74/28/179547428.db2.gz MRYQFVRNFLEJGS-OAHLLOKOSA-N 1 0 251.370 2.433 10 0 CEAERO COc1ccc(CC[N@@H+]2CCC[C@H](C(N)=S)C2)cc1 ZINC000088102421 179547584 /nfs/dbraw/zinc/54/75/84/179547584.db2.gz GXMUYFZKCGEUBG-ZDUSSCGKSA-N 1 0 278.421 2.236 10 0 CEAERO CCC(O)(CC)C[NH2+]CCc1ccc(OC)cc1 ZINC000088102275 179548102 /nfs/dbraw/zinc/54/81/02/179548102.db2.gz MKCZHIKDBHRMLB-UHFFFAOYSA-N 1 0 251.370 2.378 10 0 CEAERO CNC(=O)CC[NH2+][C@H]1CCc2sc(Cl)cc21 ZINC000088117196 179551785 /nfs/dbraw/zinc/55/17/85/179551785.db2.gz HKZUNIPBJCUFND-QMMMGPOBSA-N 1 0 258.774 2.115 10 0 CEAERO CC[N@@H+]1CCc2ccccc2[C@H]1c1ccc(N)nc1 ZINC000616679796 348559027 /nfs/dbraw/zinc/55/90/27/348559027.db2.gz PLCXLUCRKUVUPF-MRXNPFEDSA-N 1 0 253.349 2.462 10 0 CEAERO [NH3+]CCN1CCc2ccccc2[C@@H]1c1ccccc1CCO ZINC000616691738 348561941 /nfs/dbraw/zinc/56/19/41/348561941.db2.gz MLQCCCWKRWTBNN-LJQANCHMSA-N 1 0 296.414 2.128 10 0 CEAERO CC(C)C[C@H](C[NH3+])CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000088277318 179574411 /nfs/dbraw/zinc/57/44/11/179574411.db2.gz SOCTZZZPCUXDSC-SOUVJXGZSA-N 1 0 282.428 2.168 10 0 CEAERO CCC[NH2+][C@H]1CCOC[C@H]1N(C)CCC(F)(F)F ZINC000088417980 179597158 /nfs/dbraw/zinc/59/71/58/179597158.db2.gz PTBRMJOVYJELFD-WDEREUQCSA-N 1 0 268.323 2.028 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)N1CCC(C(F)(F)F)CC1 ZINC000088421021 179597639 /nfs/dbraw/zinc/59/76/39/179597639.db2.gz QZMIPZNSLSQIOQ-MNOVXSKESA-N 1 0 278.318 2.305 10 0 CEAERO C[C@H]1CCC[C@@]([NH3+])(C(=O)NCC(C2CC2)C2CC2)C1 ZINC000088457094 179608086 /nfs/dbraw/zinc/60/80/86/179608086.db2.gz YVNKBTFYGNMIHU-ZBEGNZNMSA-N 1 0 264.413 2.446 10 0 CEAERO CC(C)C[C@@H](C[NH3+])CC(=O)N1C[C@H](C)OC(C)(C)C1 ZINC000088288132 179575103 /nfs/dbraw/zinc/57/51/03/179575103.db2.gz BWXOWFWINVPBRW-QWHCGFSZSA-N 1 0 270.417 2.023 10 0 CEAERO CC(C)CCOCCNC(=O)C[C@H](C[NH3+])CC(C)C ZINC000088288073 179575156 /nfs/dbraw/zinc/57/51/56/179575156.db2.gz RLPCVXRAZNACQW-CQSZACIVSA-N 1 0 272.433 2.176 10 0 CEAERO [NH3+][C@H](Cc1ccccc1)[C@H](O)COc1ccc(F)cc1 ZINC000088397967 179591831 /nfs/dbraw/zinc/59/18/31/179591831.db2.gz MHLNYLQEHMTYEA-HZPDHXFCSA-N 1 0 275.323 2.135 10 0 CEAERO COCc1cccc([C@@H](C[NH3+])N(C)Cc2ccncc2)c1 ZINC000088553936 179622595 /nfs/dbraw/zinc/62/25/95/179622595.db2.gz IYJUQNRDODWOLM-QGZVFWFLSA-N 1 0 285.391 2.360 10 0 CEAERO CC[NH2+][C@H](Cc1ncnn1C)C1CCC(C)CC1 ZINC000088581990 179629574 /nfs/dbraw/zinc/62/95/74/179629574.db2.gz ZGYSELHVGHSFPL-WXRRBKDZSA-N 1 0 250.390 2.162 10 0 CEAERO CC(C)[NH2+]C[C@H](Cc1ncnn1C)c1ccccc1 ZINC000088583306 179630041 /nfs/dbraw/zinc/63/00/41/179630041.db2.gz XFOUSOBPYFPNSY-AWEZNQCLSA-N 1 0 258.369 2.139 10 0 CEAERO CCn1ncnc1C[C@H](Cc1ccccc1Cl)[NH2+]C ZINC000088611292 179638733 /nfs/dbraw/zinc/63/87/33/179638733.db2.gz WTMLZEHALXEVJY-LBPRGKRZSA-N 1 0 278.787 2.325 10 0 CEAERO CCC[NH2+][C@H](CCCOC)Cc1ncnn1CC(C)C ZINC000088612686 179639144 /nfs/dbraw/zinc/63/91/44/179639144.db2.gz GNXPMNKNKUHOIL-CQSZACIVSA-N 1 0 282.432 2.271 10 0 CEAERO CCn1ncnc1C[C@H]([NH3+])C1CCC(C)(C)CC1 ZINC000088613327 179639901 /nfs/dbraw/zinc/63/99/01/179639901.db2.gz YIMCRXQJKTVSFO-LBPRGKRZSA-N 1 0 250.390 2.384 10 0 CEAERO CCOC(=O)c1cccc(N[C@H]2CCC[NH2+]CC2)c1 ZINC000128935276 187399974 /nfs/dbraw/zinc/39/99/74/187399974.db2.gz IZCQGGZWVXMQDV-ZDUSSCGKSA-N 1 0 262.353 2.417 10 0 CEAERO CC(C)Cn1ncnc1CC[C@H](C)C[NH2+]C1CC1 ZINC000088624267 179641627 /nfs/dbraw/zinc/64/16/27/179641627.db2.gz DZULGZYMSJPEIK-LBPRGKRZSA-N 1 0 250.390 2.255 10 0 CEAERO CCCn1ncnc1CN1C[C@@H](CC)[NH2+]C[C@@H]1C(C)(C)C ZINC000088625367 179642563 /nfs/dbraw/zinc/64/25/63/179642563.db2.gz APXIBTRNBMIUOK-ZIAGYGMSSA-N 1 0 293.459 2.287 10 0 CEAERO CC(C)n1ncnc1CN1CC(C)(C)[NH2+]C[C@]1(C)C1CC1 ZINC000088625307 179642643 /nfs/dbraw/zinc/64/26/43/179642643.db2.gz SGLDNQRJSVPAAH-MRXNPFEDSA-N 1 0 291.443 2.212 10 0 CEAERO Cc1nc(Cl)c(N[C@@H](C)CC[NH+](C)C)nc1C ZINC000088497059 179614123 /nfs/dbraw/zinc/61/41/23/179614123.db2.gz KWCNIJGCUBGCQF-QMMMGPOBSA-N 1 0 256.781 2.499 10 0 CEAERO C[NH2+][C@H](Cc1ccccn1)c1ccc2c(c1)OCO2 ZINC000088519661 179617604 /nfs/dbraw/zinc/61/76/04/179617604.db2.gz IHTDEZVCGWPVBX-CYBMUJFWSA-N 1 0 256.305 2.314 10 0 CEAERO C[NH2+]Cc1cc(OC)c(OC)cc1Cc1ccncc1 ZINC000088529184 179618089 /nfs/dbraw/zinc/61/80/89/179618089.db2.gz GHIUHZFUPCNUIJ-UHFFFAOYSA-N 1 0 272.348 2.409 10 0 CEAERO CCC1CCC(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000104213170 185932822 /nfs/dbraw/zinc/93/28/22/185932822.db2.gz WASJJEQHFZKTSA-BLYZHGLHSA-N 1 0 252.402 2.175 10 0 CEAERO C[C@H]1CN(Cc2ccncc2Cl)[C@@H](C)CC[NH2+]1 ZINC000088792136 179673223 /nfs/dbraw/zinc/67/32/23/179673223.db2.gz ZWEYYIXIYCVKBN-QWRGUYRKSA-N 1 0 253.777 2.307 10 0 CEAERO CC[NH2+]CCc1ccc(S(=O)(=O)NCC(C)(C)C)cc1 ZINC000088985311 179690129 /nfs/dbraw/zinc/69/01/29/179690129.db2.gz YOZBXUZZVLTEBP-UHFFFAOYSA-N 1 0 298.452 2.163 10 0 CEAERO CC(C)[NH2+]CCc1nnc(-c2ccncc2F)s1 ZINC000088823216 179678866 /nfs/dbraw/zinc/67/88/66/179678866.db2.gz SHUMCJSYIGSVDS-UHFFFAOYSA-N 1 0 266.345 2.280 10 0 CEAERO [NH3+]Cc1cccc(CNC(=O)CCC(F)(F)F)c1 ZINC000088832362 179679441 /nfs/dbraw/zinc/67/94/41/179679441.db2.gz OZTNIXUYEIDADH-UHFFFAOYSA-N 1 0 260.259 2.104 10 0 CEAERO CC(C)[C@H]1CCCN1S(=O)(=O)Cc1ccccc1C[NH3+] ZINC000088836730 179680401 /nfs/dbraw/zinc/68/04/01/179680401.db2.gz VCCZZGLRZDTHFP-OAHLLOKOSA-N 1 0 296.436 2.096 10 0 CEAERO [NH3+]CCN(C(=O)CCC(F)(F)F)C1CCCCC1 ZINC000088834952 179680470 /nfs/dbraw/zinc/68/04/70/179680470.db2.gz IOFDVPSKVFVYPG-UHFFFAOYSA-N 1 0 266.307 2.449 10 0 CEAERO CC1CCC(C[NH3+])(NC(=O)CCC(F)(F)F)CC1 ZINC000088834968 179680931 /nfs/dbraw/zinc/68/09/31/179680931.db2.gz JWQZWRGMTNVNHF-UHFFFAOYSA-N 1 0 266.307 2.353 10 0 CEAERO C[C@@H]([NH3+])Cc1ccccc1OCCOC(F)(F)F ZINC000089056082 179694916 /nfs/dbraw/zinc/69/49/16/179694916.db2.gz IVIYVXUQBBZPPG-SECBINFHSA-N 1 0 263.259 2.492 10 0 CEAERO CC(C)Oc1cncc(N[C@@H]2CCCC[C@H]2C[NH3+])n1 ZINC000089108463 179704506 /nfs/dbraw/zinc/70/45/06/179704506.db2.gz ULPGNYXNVZYLKX-NWDGAFQWSA-N 1 0 264.373 2.193 10 0 CEAERO C[NH2+]CCc1ccc(S(=O)(=O)N2CCCC2(C)C)cc1 ZINC000089034895 179692938 /nfs/dbraw/zinc/69/29/38/179692938.db2.gz QNRLOQWOXUQNHL-UHFFFAOYSA-N 1 0 296.436 2.012 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1cc2ccccc2[nH]1 ZINC000089091505 539688636 /nfs/dbraw/zinc/68/86/36/539688636.db2.gz APAHWGYBYVFGNC-AAEUAGOBSA-N 1 0 257.337 2.025 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@@H]1Nc1ccc(-n2cc[nH]c2=O)cc1 ZINC000089145149 179722321 /nfs/dbraw/zinc/72/23/21/179722321.db2.gz WQOWPYLIHRENSK-DOMZBBRYSA-N 1 0 286.379 2.095 10 0 CEAERO CCN(C(=O)c1ccc2c[nH]nc2c1)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089114173 179708290 /nfs/dbraw/zinc/70/82/90/179708290.db2.gz JRBCNCNNDXAPMD-DOMZBBRYSA-N 1 0 286.379 2.152 10 0 CEAERO CCN(C(=O)Cc1cccc(OC)c1)[C@H]1CCC[C@H]1C[NH3+] ZINC000089114847 179709230 /nfs/dbraw/zinc/70/92/30/179709230.db2.gz SXECRJKKGQZNBH-HOCLYGCPSA-N 1 0 290.407 2.214 10 0 CEAERO CCN(C(=O)c1ccc(C)o1)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089114530 179709349 /nfs/dbraw/zinc/70/93/49/179709349.db2.gz UVVJQBLEDFFVJC-NWDGAFQWSA-N 1 0 250.342 2.178 10 0 CEAERO CCOC(=O)c1ccccc1N[C@@H]1CCC[C@H]1C[NH3+] ZINC000089148088 179723940 /nfs/dbraw/zinc/72/39/40/179723940.db2.gz WISIHJLGLVQQGK-WCQYABFASA-N 1 0 262.353 2.403 10 0 CEAERO CNC(=O)c1cc(N[C@H]2CCC[C@H]2C[NH3+])ccc1Cl ZINC000089150051 179725895 /nfs/dbraw/zinc/72/58/95/179725895.db2.gz OKCPRGQLQWVIKS-ZANVPECISA-N 1 0 281.787 2.239 10 0 CEAERO COc1ccccc1C[C@@H]([NH2+][C@H](C)CO)C(C)C ZINC000129364944 187426391 /nfs/dbraw/zinc/42/63/91/187426391.db2.gz XNQDOYRTGWOGKD-TZMCWYRMSA-N 1 0 251.370 2.233 10 0 CEAERO CCn1nc(C)cc1COc1c(C[NH3+])cccc1OC ZINC000089181376 179744993 /nfs/dbraw/zinc/74/49/93/179744993.db2.gz ZBUQQBAQLPYBEG-UHFFFAOYSA-N 1 0 275.352 2.258 10 0 CEAERO CCCOC[C@H](Cc1cc(CC)nn1CC)[NH2+]C ZINC000089193916 179750026 /nfs/dbraw/zinc/75/00/26/179750026.db2.gz MAIDPHWEOGAUTK-ZDUSSCGKSA-N 1 0 253.390 2.023 10 0 CEAERO C[C@H]1C[C@@H](O)C[N@H+](CCC(=O)c2ccc(F)cc2)C1 ZINC000401910208 233186293 /nfs/dbraw/zinc/18/62/93/233186293.db2.gz PYGZVHPVUIBVLV-SMDDNHRTSA-N 1 0 265.328 2.101 10 0 CEAERO CCO[C@H](C)[C@H](Cc1cc(CC)nn1CC)[NH2+]C ZINC000089198303 179751494 /nfs/dbraw/zinc/75/14/94/179751494.db2.gz BISHLVAZLGMMRI-RISCZKNCSA-N 1 0 253.390 2.021 10 0 CEAERO CC[C@@H](C)SC[C@@H](Cc1cc(C)nn1C)[NH2+]C ZINC000089198898 179751752 /nfs/dbraw/zinc/75/17/52/179751752.db2.gz DRXYIJBRPPRVBN-VXGBXAGGSA-N 1 0 255.431 2.391 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1ccccc1-n1ccnc1 ZINC000089451609 539717063 /nfs/dbraw/zinc/71/70/63/539717063.db2.gz CRFUGOGCRYSXOG-STQMWFEESA-N 1 0 284.363 2.186 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000089452214 539717274 /nfs/dbraw/zinc/71/72/74/539717274.db2.gz NDSADPNYDWISPP-SWLSCSKDSA-N 1 0 284.363 2.186 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCCSc1ccccc1 ZINC000089458060 539717495 /nfs/dbraw/zinc/71/74/95/539717495.db2.gz CYTLNZFJXKSMJM-OCCSQVGLSA-N 1 0 278.421 2.270 10 0 CEAERO Cc1cc(CC2(C[NH2+]C(C)C)CCOCC2)n(C)n1 ZINC000089206430 179754147 /nfs/dbraw/zinc/75/41/47/179754147.db2.gz GAZHYSOPMNCVHL-UHFFFAOYSA-N 1 0 265.401 2.066 10 0 CEAERO CCn1nc(C)cc1CN1CC[NH2+][C@H](CC(C)C)C1 ZINC000089208502 179754644 /nfs/dbraw/zinc/75/46/44/179754644.db2.gz HLVJAPGCGRHTKO-CQSZACIVSA-N 1 0 264.417 2.031 10 0 CEAERO CCc1nn(C)c(COC[C@H]2CCC[NH2+]C2)c1Cl ZINC000089321136 179769538 /nfs/dbraw/zinc/76/95/38/179769538.db2.gz LETHYERHYXVUTN-JTQLQIEISA-N 1 0 271.792 2.152 10 0 CEAERO CCCOC[C@@H](Cc1c(Cl)c(CC)nn1C)[NH2+]C ZINC000089327815 179769952 /nfs/dbraw/zinc/76/99/52/179769952.db2.gz ZIKNZUMFOFBMRN-SNVBAGLBSA-N 1 0 273.808 2.193 10 0 CEAERO CCc1nn(C)c(CN2CC[NH2+][C@@H](CC(C)C)C2)c1Cl ZINC000089346045 179771009 /nfs/dbraw/zinc/77/10/09/179771009.db2.gz BNBUQOWVPFOWGP-LBPRGKRZSA-N 1 0 298.862 2.456 10 0 CEAERO CCc1nn(CC)c(C[C@H]([NH3+])[C@H]2CCOC2)c1Cl ZINC000089361004 179773052 /nfs/dbraw/zinc/77/30/52/179773052.db2.gz UTZOGVMCPRTMCU-UWVGGRQHSA-N 1 0 271.792 2.025 10 0 CEAERO CCO[C@@H](C)[C@@H]([NH3+])Cc1c(Cl)c(CC)nn1CC ZINC000089360290 179773098 /nfs/dbraw/zinc/77/30/98/179773098.db2.gz KLAWTEJYFGXZKV-UWVGGRQHSA-N 1 0 273.808 2.414 10 0 CEAERO CCn1nc(C)c(Cl)c1C[NH2+][C@H]1CCCOC1 ZINC000089277852 179763932 /nfs/dbraw/zinc/76/39/32/179763932.db2.gz PJJKEPDCZFCPSF-JTQLQIEISA-N 1 0 257.765 2.133 10 0 CEAERO CCC(CC)N(CCOC)C(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089391623 179778581 /nfs/dbraw/zinc/77/85/81/179778581.db2.gz JSYRYQHDWAHZHU-HIFRSBDPSA-N 1 0 284.444 2.415 10 0 CEAERO CC1(C)CCC(O)(CNC(=O)[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000089401202 179781312 /nfs/dbraw/zinc/78/13/12/179781312.db2.gz XHAFCXIRPZELCX-ZIAGYGMSSA-N 1 0 296.455 2.199 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C[NH3+])C1CCCC1 ZINC000089400197 179781440 /nfs/dbraw/zinc/78/14/40/179781440.db2.gz XQALZRLTLPAPIB-IACUBPJLSA-N 1 0 252.402 2.446 10 0 CEAERO CC(=O)Nc1ccc(C)c(NC(=O)[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000089451448 179792414 /nfs/dbraw/zinc/79/24/14/179792414.db2.gz ZELBBMIJGHVHSJ-JSGCOSHPSA-N 1 0 289.379 2.267 10 0 CEAERO CCC[C@H](C)NC(=O)[C@H](C)OC[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089535914 179812235 /nfs/dbraw/zinc/81/22/35/179812235.db2.gz XXQTXAPFVMNMHJ-XQLPTFJDSA-N 1 0 284.444 2.461 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1COCC(=O)Nc1ccccc1 ZINC000089537402 179812920 /nfs/dbraw/zinc/81/29/20/179812920.db2.gz KYHDLQIJUUEYOV-CHWSQXEVSA-N 1 0 262.353 2.017 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1COCC(=O)Nc1ccc(F)cc1 ZINC000089537281 179812983 /nfs/dbraw/zinc/81/29/83/179812983.db2.gz ZJYUWBWHCSXCCC-NWDGAFQWSA-N 1 0 280.343 2.156 10 0 CEAERO CC(C)(C)OC(=O)N[C@H]1C[NH2+]C[C@H]1c1ccccc1F ZINC000068575181 362943404 /nfs/dbraw/zinc/94/34/04/362943404.db2.gz XIPNTDCDXQQQDR-AAEUAGOBSA-N 1 0 280.343 2.406 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1CNC(=O)c1cccc(OC(F)F)c1 ZINC000089500580 179804962 /nfs/dbraw/zinc/80/49/62/179804962.db2.gz LOEWHDRDEBRNPO-RYUDHWBXSA-N 1 0 298.333 2.393 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1CNC(=O)CCc1ccccc1 ZINC000089500686 179805006 /nfs/dbraw/zinc/80/50/06/179805006.db2.gz BSWPDQIFTRYEDY-CABCVRRESA-N 1 0 260.381 2.110 10 0 CEAERO CC(C)c1nn(C)cc1C[NH2+]C[C@H]1CCCC[C@@H]1CO ZINC000089503570 179806065 /nfs/dbraw/zinc/80/60/65/179806065.db2.gz FIZYAFSUMGTHOK-ZIAGYGMSSA-N 1 0 279.428 2.432 10 0 CEAERO Cc1nn(C)c(Sc2ccccc2F)c1C(N)=[NH2+] ZINC000104320405 185967889 /nfs/dbraw/zinc/96/78/89/185967889.db2.gz FBMXYSDRLRUTQJ-UHFFFAOYSA-N 1 0 264.329 2.303 10 0 CEAERO CCc1ccc([C@H](C)NC(=O)C[C@H]2CC[NH2+]C2)cc1 ZINC000089741978 539730532 /nfs/dbraw/zinc/73/05/32/539730532.db2.gz VNZITFXSWJSNQI-GXTWGEPZSA-N 1 0 260.381 2.426 10 0 CEAERO CC(C)(C)OC(=O)N[C@H]1C[NH2+]C[C@@H]1c1ccc(F)cc1 ZINC000068575196 362945057 /nfs/dbraw/zinc/94/50/57/362945057.db2.gz NGLYODSLROCQTQ-OLZOCXBDSA-N 1 0 280.343 2.406 10 0 CEAERO CN(CC1CCCC1)C(=O)[C@@H]1CCC[C@H](C[NH3+])C1 ZINC000104351081 185979175 /nfs/dbraw/zinc/97/91/75/185979175.db2.gz HNMFDLYYFWNOHM-UONOGXRCSA-N 1 0 252.402 2.400 10 0 CEAERO CCn1cncc1CN1CCC[C@@H](C[NH2+]C(C)C)C1 ZINC000090175959 179926931 /nfs/dbraw/zinc/92/69/31/179926931.db2.gz QCRSTTASGKDWII-AWEZNQCLSA-N 1 0 264.417 2.113 10 0 CEAERO Cc1cc(-c2nc([C@]3([NH3+])CCC[C@@H](C)C3)no2)n(C)n1 ZINC000090122147 179917062 /nfs/dbraw/zinc/91/70/62/179917062.db2.gz RONSYKNJCOMLQM-OTYXRUKQSA-N 1 0 275.356 2.143 10 0 CEAERO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CN(C)CCN2C)CC(C)(C)C1 ZINC000068802833 362947393 /nfs/dbraw/zinc/94/73/93/362947393.db2.gz HMKJGIHWGKGELZ-RBSFLKMASA-N 1 0 267.461 2.037 10 0 CEAERO CCCN(C(=O)/C=C/c1ccc(F)cc1)C1C[NH2+]C1 ZINC000090292845 179951305 /nfs/dbraw/zinc/95/13/05/179951305.db2.gz OYBNBWNESOKRBH-VMPITWQZSA-N 1 0 262.328 2.049 10 0 CEAERO CCCN([C@H](C)c1ccc2c(c1)OCCO2)C1C[NH2+]C1 ZINC000090292352 179951370 /nfs/dbraw/zinc/95/13/70/179951370.db2.gz UFOQYWCNVHQZSR-GFCCVEGCSA-N 1 0 276.380 2.203 10 0 CEAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1c1nc2ccccc2o1 ZINC000090333939 179963775 /nfs/dbraw/zinc/96/37/75/179963775.db2.gz JPDNHERDRZKXQN-NQBHXWOUSA-N 1 0 257.337 2.262 10 0 CEAERO CC(C)(C)CCOC[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000090349144 179971121 /nfs/dbraw/zinc/97/11/21/179971121.db2.gz ROMPPVPQARTDMW-GJZGRUSLSA-N 1 0 265.397 2.370 10 0 CEAERO C[C@H](CC[NH3+])SCC(=O)N(C)C1CCC(C)CC1 ZINC000090354971 179974294 /nfs/dbraw/zinc/97/42/94/179974294.db2.gz OBSUKNSHBUKWAF-OTTFEQOBSA-N 1 0 272.458 2.494 10 0 CEAERO Cc1csc2nc(CS[C@H](C)CC[NH3+])cc(=O)n12 ZINC000090354827 179974403 /nfs/dbraw/zinc/97/44/03/179974403.db2.gz XGFDRKOROKYFOP-SECBINFHSA-N 1 0 283.422 2.035 10 0 CEAERO CN1C[C@@H](C[NH2+]Cc2csc(C(F)(F)F)c2)CC1=O ZINC000623570705 350053262 /nfs/dbraw/zinc/05/32/62/350053262.db2.gz BGKPQIAFCBCYLK-MRVPVSSYSA-N 1 0 292.326 2.335 10 0 CEAERO C[C@H]1CC(=O)N(c2ccc(C[NH3+])cc2C(F)(F)F)C1=O ZINC000104417975 185995299 /nfs/dbraw/zinc/99/52/99/185995299.db2.gz KAZBGHBFZCLJBK-ZETCQYMHSA-N 1 0 286.253 2.064 10 0 CEAERO C[NH2+][C@@H](C)C1CCN(c2cc(C(C)C)ncn2)CC1 ZINC000104428228 185997920 /nfs/dbraw/zinc/99/79/20/185997920.db2.gz LSHVEESGFGATBO-LBPRGKRZSA-N 1 0 262.401 2.424 10 0 CEAERO CC[NH2+][C@H]1COC[C@@H]1c1nc2cnccc2n1C(C)(C)C ZINC000090472919 179990092 /nfs/dbraw/zinc/99/00/92/179990092.db2.gz KUUPAWHIOXGRFY-AAEUAGOBSA-N 1 0 288.395 2.278 10 0 CEAERO O[C@H]1COCC[C@H]1[NH2+]Cc1csc2ccccc12 ZINC000623765867 350106486 /nfs/dbraw/zinc/10/64/86/350106486.db2.gz XRHXQVHFBFFPNL-OLZOCXBDSA-N 1 0 263.362 2.141 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1c1nc2cccnc2n1C1CC1 ZINC000090527353 179997633 /nfs/dbraw/zinc/99/76/33/179997633.db2.gz RCDWKISXUYZRSW-TZMCWYRMSA-N 1 0 286.379 2.248 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1cccc(Cl)c1 ZINC000090538860 180000178 /nfs/dbraw/zinc/00/01/78/180000178.db2.gz DLMUIRZRFKOFKE-CHWSQXEVSA-N 1 0 282.771 2.293 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1cc(C)ccc1F ZINC000090539624 180000466 /nfs/dbraw/zinc/00/04/66/180000466.db2.gz CXNOONTZGIDLOM-SMDDNHRTSA-N 1 0 280.343 2.087 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1cc(C)ccc1F ZINC000090539626 180000538 /nfs/dbraw/zinc/00/05/38/180000538.db2.gz CXNOONTZGIDLOM-FZMZJTMJSA-N 1 0 280.343 2.087 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1cc(C)ccc1C ZINC000090538805 180000548 /nfs/dbraw/zinc/00/05/48/180000548.db2.gz JEXSRIPWBTWTFV-DZGCQCFKSA-N 1 0 276.380 2.257 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N(C)C1CCC(CC)CC1 ZINC000090542563 180001317 /nfs/dbraw/zinc/00/13/17/180001317.db2.gz HIHNGOVDAOQOAX-SSHXOBKSSA-N 1 0 296.455 2.428 10 0 CEAERO CCC(CC)[C@H](C)[NH2+]Cc1c(OC)ncnc1OC ZINC000104437263 186001122 /nfs/dbraw/zinc/00/11/22/186001122.db2.gz OFHBOBUWHUIRQZ-JTQLQIEISA-N 1 0 267.373 2.408 10 0 CEAERO CC(C)C1CCC([NH2+]CCC(=O)NC2CC2)CC1 ZINC000090714669 180028613 /nfs/dbraw/zinc/02/86/13/180028613.db2.gz BKNPWBOHROOFFT-UHFFFAOYSA-N 1 0 252.402 2.460 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1CN1CCc2ccccc21 ZINC000090566034 180005991 /nfs/dbraw/zinc/00/59/91/180005991.db2.gz GOJMDCFRGRNCML-HUUCEWRRSA-N 1 0 260.381 2.064 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1CN(C)c1ccccc1OC ZINC000090566686 180006204 /nfs/dbraw/zinc/00/62/04/180006204.db2.gz LUZGGESGARPBGB-UONOGXRCSA-N 1 0 278.396 2.146 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1CN(C)c1ccc(C)cc1 ZINC000090566725 180006855 /nfs/dbraw/zinc/00/68/55/180006855.db2.gz DPEJMWMZFDMRCR-ZBFHGGJFSA-N 1 0 262.397 2.446 10 0 CEAERO CCCn1c2ccccc2nc1[C@]1(C)COC[C@H]1[NH3+] ZINC000090571666 180008032 /nfs/dbraw/zinc/00/80/32/180008032.db2.gz OFPLAWNPDYZNSF-UKRRQHHQSA-N 1 0 259.353 2.062 10 0 CEAERO Cc1cccc(C(C)C)c1NC(=O)[C@]1(C)COC[C@H]1[NH3+] ZINC000090580746 180008400 /nfs/dbraw/zinc/00/84/00/180008400.db2.gz ONLZSOYVNGGFCO-CZUORRHYSA-N 1 0 276.380 2.421 10 0 CEAERO C[C@@]1(c2nc3cc(Cl)ccc3o2)COC[C@H]1[NH3+] ZINC000090574333 180008552 /nfs/dbraw/zinc/00/85/52/180008552.db2.gz GCQIFCLUSKVTLQ-ZYHUDNBSSA-N 1 0 252.701 2.096 10 0 CEAERO CC(C)c1ccccc1NC(=O)[C@@]1(C)COC[C@H]1[NH3+] ZINC000090580478 180008697 /nfs/dbraw/zinc/00/86/97/180008697.db2.gz DFMNRKDJTAAQSI-HIFRSBDPSA-N 1 0 262.353 2.112 10 0 CEAERO C[C@@H](Oc1ccc(F)cc1C(N)=[NH2+])C(F)(F)F ZINC000090673155 180020951 /nfs/dbraw/zinc/02/09/51/180020951.db2.gz GKBRVRFZAUDOLT-RXMQYKEDSA-N 1 0 250.195 2.439 10 0 CEAERO C[C@H](OC[C@H]([NH3+])c1ccc2c(c1)OCO2)C(F)(F)F ZINC000090672240 180021114 /nfs/dbraw/zinc/02/11/14/180021114.db2.gz XQMRDBFBKIRLEX-CBAPKCEASA-N 1 0 277.242 2.383 10 0 CEAERO C[C@H]([NH2+]CCO[C@@H](C)C(F)(F)F)[C@@H]1CCCO1 ZINC000090675804 180022563 /nfs/dbraw/zinc/02/25/63/180022563.db2.gz KZLKMEWMSJDYHG-GUBZILKMSA-N 1 0 255.280 2.111 10 0 CEAERO C[NH2+][C@](CO)(CO[C@@H](C)C(F)(F)F)c1ccccc1 ZINC000090676024 180022588 /nfs/dbraw/zinc/02/25/88/180022588.db2.gz YKSQOMXJDRTPGN-CMPLNLGQSA-N 1 0 277.286 2.061 10 0 CEAERO Cc1ccc(NC(=O)CN(C)CC[C@@H]2CCCC[NH2+]2)cc1 ZINC000090693405 180025181 /nfs/dbraw/zinc/02/51/81/180025181.db2.gz WFMRGQAPWZLBKM-HNNXBMFYSA-N 1 0 289.423 2.398 10 0 CEAERO C[C@H]1CC[NH2+]C[C@H]1N1CCC(C(F)(F)F)CC1 ZINC000090695704 180026314 /nfs/dbraw/zinc/02/63/14/180026314.db2.gz HRIQQSVDTSLNPG-GXSJLCMTSA-N 1 0 250.308 2.259 10 0 CEAERO Cc1ccncc1[C@@H]([NH3+])[C@@H]1COc2ccccc2O1 ZINC000090710175 180027860 /nfs/dbraw/zinc/02/78/60/180027860.db2.gz DRLRPVWTCOLLDA-LSDHHAIUSA-N 1 0 256.305 2.230 10 0 CEAERO C[NH+](C)C[C@H]1CSCCCN1C(=O)CC(C)(C)C ZINC000090699756 180027879 /nfs/dbraw/zinc/02/78/79/180027879.db2.gz XQQYRFXJQCXZMZ-LBPRGKRZSA-N 1 0 272.458 2.318 10 0 CEAERO [NH3+]Cc1nc(-c2nc(CCc3ccccc3)no2)cs1 ZINC000090933526 180066545 /nfs/dbraw/zinc/06/65/45/180066545.db2.gz BMRDSNUYDCTTIJ-UHFFFAOYSA-N 1 0 286.360 2.437 10 0 CEAERO OC[C@H]1C[C@]1(C[NH2+]Cc1ccccc1)c1cccnc1 ZINC000090727712 180032650 /nfs/dbraw/zinc/03/26/50/180032650.db2.gz JAVPOAKAVXEKRB-SJORKVTESA-N 1 0 268.360 2.121 10 0 CEAERO CCCOc1cc(N[C@H](C[NH3+])CC(C)C)ncn1 ZINC000090785220 180040222 /nfs/dbraw/zinc/04/02/22/180040222.db2.gz DDAQFPYQJCFBQO-NSHDSACASA-N 1 0 252.362 2.051 10 0 CEAERO COc1cc(NCc2ccc(C[NH3+])cc2F)nc(C)n1 ZINC000090786969 180040578 /nfs/dbraw/zinc/04/05/78/180040578.db2.gz PYLVYGHOEMAKHT-UHFFFAOYSA-N 1 0 276.315 2.004 10 0 CEAERO CC(C)Oc1cc(N(C)CC[NH2+]C(C)(C)C)ncn1 ZINC000090786371 180040612 /nfs/dbraw/zinc/04/06/12/180040612.db2.gz IWDOFKGCCHXCRU-UHFFFAOYSA-N 1 0 266.389 2.088 10 0 CEAERO COc1ncnc(N(C)c2ccc(C[NH3+])cc2)c1C ZINC000090788708 180041130 /nfs/dbraw/zinc/04/11/30/180041130.db2.gz UASFKUDUOZNAEY-UHFFFAOYSA-N 1 0 258.325 2.020 10 0 CEAERO CCOc1ncnc(N[C@@H](C[NH3+])Cc2ccccc2)c1C ZINC000090790142 180042140 /nfs/dbraw/zinc/04/21/40/180042140.db2.gz JPBAQTMCEIYVGF-CQSZACIVSA-N 1 0 286.379 2.166 10 0 CEAERO CC[NH2+][C@@H]1C[C@@H](OC2CCOCC2)C12CCCC2 ZINC000090862586 180047015 /nfs/dbraw/zinc/04/70/15/180047015.db2.gz DSKYOYMSTRKFBZ-ZIAGYGMSSA-N 1 0 253.386 2.493 10 0 CEAERO CC[NH2+][C@H]1C[C@H](Oc2c(C)nn(C)c2C)C1(C)C ZINC000090865730 180047954 /nfs/dbraw/zinc/04/79/54/180047954.db2.gz RSDXWAGEZQMIBO-RYUDHWBXSA-N 1 0 251.374 2.192 10 0 CEAERO CC[C@@H](C)NC(=O)CSc1cccc(C[NH2+]C)c1 ZINC000090870894 180049365 /nfs/dbraw/zinc/04/93/65/180049365.db2.gz JLJRINNENMZLLN-LLVKDONJSA-N 1 0 266.410 2.413 10 0 CEAERO CC(C)CNC(=O)[C@@H](C)Sc1cccc(C[NH3+])c1 ZINC000090870530 180049428 /nfs/dbraw/zinc/04/94/28/180049428.db2.gz YMAOGFWYZZFSLC-LLVKDONJSA-N 1 0 266.410 2.398 10 0 CEAERO CC(C)[NH2+]Cc1cccc(SCCS(C)(=O)=O)c1 ZINC000090871764 180049649 /nfs/dbraw/zinc/04/96/49/180049649.db2.gz BRKACPAYEHROBQ-UHFFFAOYSA-N 1 0 287.450 2.321 10 0 CEAERO CCC(CC)(C[NH3+])N(C)C[C@H]1Cc2ccccc2O1 ZINC000090874050 180049699 /nfs/dbraw/zinc/04/96/99/180049699.db2.gz HYECZPWPZNTTKM-CQSZACIVSA-N 1 0 262.397 2.439 10 0 CEAERO CC(C)[C@H](CN(C)C)[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000090874403 180049747 /nfs/dbraw/zinc/04/97/47/180049747.db2.gz IJCWUEZQFGTYTE-GJZGRUSLSA-N 1 0 262.397 2.166 10 0 CEAERO CC(C)[NH2+]C[C@@H]1CCCN1C[C@@H]1Cc2ccccc2O1 ZINC000090875358 180051027 /nfs/dbraw/zinc/05/10/27/180051027.db2.gz JLNLXWXLGQKZPI-HOTGVXAUSA-N 1 0 274.408 2.453 10 0 CEAERO c1cc(C[NH2+]C2CC2)n(C[C@@H]2Cc3ccccc3O2)n1 ZINC000090877785 180052372 /nfs/dbraw/zinc/05/23/72/180052372.db2.gz HDXZDUVVLQBFFR-HNNXBMFYSA-N 1 0 269.348 2.139 10 0 CEAERO CCOCCC[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892013 180053525 /nfs/dbraw/zinc/05/35/25/180053525.db2.gz ROTSRXAXLXLESF-ZDUSSCGKSA-N 1 0 253.317 2.145 10 0 CEAERO Fc1ccc2c(c1)C[C@H](COC[C@@H]1CCC[NH2+]C1)O2 ZINC000090893677 180055532 /nfs/dbraw/zinc/05/55/32/180055532.db2.gz CICDOICWGCSFAU-BXUZGUMPSA-N 1 0 265.328 2.145 10 0 CEAERO COCC[NH2+]CCC[C@H]1Cc2cc(F)ccc2O1 ZINC000090895060 180056303 /nfs/dbraw/zinc/05/63/03/180056303.db2.gz JGLDXMFGFCBRLP-ZDUSSCGKSA-N 1 0 253.317 2.145 10 0 CEAERO OCC[N@H+](C[C@@H]1Cc2cc(F)ccc2O1)C1CCCC1 ZINC000090894772 180056386 /nfs/dbraw/zinc/05/63/86/180056386.db2.gz BKNABVHBFUNCIF-HNNXBMFYSA-N 1 0 279.355 2.366 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](C[NH2+][C@@H](CN(C)C)C(C)C)O2 ZINC000090897649 180057190 /nfs/dbraw/zinc/05/71/90/180057190.db2.gz NCSUGWIGIJOFGI-HOTGVXAUSA-N 1 0 276.424 2.474 10 0 CEAERO CC[C@@]1(C)C[NH2+]CCN1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090896134 180057384 /nfs/dbraw/zinc/05/73/84/180057384.db2.gz HWLGMSRACRSLER-HOCLYGCPSA-N 1 0 278.371 2.203 10 0 CEAERO C[C@@H]1C[NH2+]C(C)(C)CN1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090896167 180057461 /nfs/dbraw/zinc/05/74/61/180057461.db2.gz WRKPSAGCAXDLSA-RISCZKNCSA-N 1 0 278.371 2.202 10 0 CEAERO C[NH2+]C[C@@]1(C[C@H]2Cc3cc(C)ccc3O2)CCOC1 ZINC000090901487 180058640 /nfs/dbraw/zinc/05/86/40/180058640.db2.gz FMKWIKACCVXNKC-ZBFHGGJFSA-N 1 0 261.365 2.315 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C)CN1C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090902469 180059677 /nfs/dbraw/zinc/05/96/77/180059677.db2.gz QCDHVJPBEKTGPB-BMFZPTHFSA-N 1 0 274.408 2.371 10 0 CEAERO Clc1ccc2c(c1)C[C@@H](C[NH2+][C@H]1CCN(C3CC3)C1)O2 ZINC000090904356 180059788 /nfs/dbraw/zinc/05/97/88/180059788.db2.gz XYRWDBOBZNZPPM-ZFWWWQNUSA-N 1 0 292.810 2.470 10 0 CEAERO CC[C@@](C)(O)C[NH2+]C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090905144 180060456 /nfs/dbraw/zinc/06/04/56/180060456.db2.gz AXWBFPUDYAZBNV-GXTWGEPZSA-N 1 0 269.772 2.394 10 0 CEAERO N[C@H](CN1C[C@H]2CC[C@@H](C1)O2)c1cc2ccccc2o1 ZINC000090906002 180061383 /nfs/dbraw/zinc/06/13/83/180061383.db2.gz UZKYXMMXYAWDNU-HZSPNIEDSA-N 1 0 272.348 2.296 10 0 CEAERO CC[NH2+]CC1(CN2C[C@H]3CC[C@@H](C2)O3)CCCC1 ZINC000090907625 180062195 /nfs/dbraw/zinc/06/21/95/180062195.db2.gz QBZXZFWQLDTECN-OKILXGFUSA-N 1 0 252.402 2.020 10 0 CEAERO CC[NH2+][C@H]1CCCc2sc(N3C[C@H]4CC[C@@H](C3)O4)nc21 ZINC000090908124 180062268 /nfs/dbraw/zinc/06/22/68/180062268.db2.gz DOBFXGMMGDNTDC-TUAOUCFPSA-N 1 0 293.436 2.498 10 0 CEAERO COC[C@@H](O)CC[NH2+][C@H](C)c1occc1Br ZINC000090953545 180073827 /nfs/dbraw/zinc/07/38/27/180073827.db2.gz RVBISYMKZHKQCX-BDAKNGLRSA-N 1 0 292.173 2.090 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+]C[C@@H]1CCCOC1 ZINC000090960354 180075301 /nfs/dbraw/zinc/07/53/01/180075301.db2.gz ZQQRATHEQKQJJT-NSHDSACASA-N 1 0 268.382 2.223 10 0 CEAERO CCN1CCC[C@@H]([NH2+]Cc2sccc2NC(C)=O)C1 ZINC000090960375 180075511 /nfs/dbraw/zinc/07/55/11/180075511.db2.gz OYZQAPYQDKEYTM-GFCCVEGCSA-N 1 0 281.425 2.280 10 0 CEAERO CC(=O)Nc1ccccc1C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000090961359 180075975 /nfs/dbraw/zinc/07/59/75/180075975.db2.gz XMWONSLDMDDFIB-ABAIWWIYSA-N 1 0 262.353 2.302 10 0 CEAERO CCC(CC)(CO)[NH2+]Cc1ccccc1NC(C)=O ZINC000090962565 180076906 /nfs/dbraw/zinc/07/69/06/180076906.db2.gz KYVCJPHUOXARFI-UHFFFAOYSA-N 1 0 264.369 2.286 10 0 CEAERO Nc1ccccc1C[NH2+]Cc1cccc2c1OCO2 ZINC000090962339 180076982 /nfs/dbraw/zinc/07/69/82/180076982.db2.gz RKXJFMKSYXKXFI-UHFFFAOYSA-N 1 0 256.305 2.287 10 0 CEAERO CCN(C(=O)[C@@H]1Cc2ccccc21)[C@H]1CCC[C@H]1C[NH3+] ZINC000090985638 180080895 /nfs/dbraw/zinc/08/08/95/180080895.db2.gz OSEDMMPLABTZPY-IMJJTQAJSA-N 1 0 272.392 2.302 10 0 CEAERO CC(C)[NH2+]Cc1cn(C[C@H](C)C(N)=O)c2ccccc12 ZINC000090995521 180082765 /nfs/dbraw/zinc/08/27/65/180082765.db2.gz IRDVHBWADDMVLF-LBPRGKRZSA-N 1 0 273.380 2.261 10 0 CEAERO CCn1nc(C)c(Cl)c1Cn1cccc1C[NH2+]C ZINC000090995762 180082770 /nfs/dbraw/zinc/08/27/70/180082770.db2.gz FUDQOXMCRUPFGS-UHFFFAOYSA-N 1 0 266.776 2.434 10 0 CEAERO CCc1cc(Cn2cccc2C[NH2+]C(C)C)n(C)n1 ZINC000091001261 180083419 /nfs/dbraw/zinc/08/34/19/180083419.db2.gz BJAOZDJPRNXBPM-UHFFFAOYSA-N 1 0 260.385 2.330 10 0 CEAERO CC[NH2+]Cc1ccn(Cc2cc(CC)nn2CC)c1 ZINC000091003304 180084015 /nfs/dbraw/zinc/08/40/15/180084015.db2.gz OUPKXVKHYARBAB-UHFFFAOYSA-N 1 0 260.385 2.425 10 0 CEAERO C[C@@H]([NH3+])Cc1cccn1C[C@H]1Cc2ccccc2O1 ZINC000091005486 180084849 /nfs/dbraw/zinc/08/48/49/180084849.db2.gz HTGQTCOQSJBZCK-IUODEOHRSA-N 1 0 256.349 2.382 10 0 CEAERO CCC[NH2+]Cc1cn(CC(=O)NC(C)C)c2ncccc12 ZINC000091020280 180087848 /nfs/dbraw/zinc/08/78/48/180087848.db2.gz ZGBRGXNRCYEUCQ-UHFFFAOYSA-N 1 0 288.395 2.061 10 0 CEAERO Cc1nc(Cn2cc(C[NH2+]C(C)C)c3cccnc32)no1 ZINC000091020491 180087909 /nfs/dbraw/zinc/08/79/09/180087909.db2.gz WZOSSUDKNDKTBB-UHFFFAOYSA-N 1 0 285.351 2.274 10 0 CEAERO CC[C@H]([NH3+])Cc1cn(C[C@H]2CCCO2)c2ncccc12 ZINC000091022007 180088591 /nfs/dbraw/zinc/08/85/91/180088591.db2.gz ICXMFAQQGGLJMT-UONOGXRCSA-N 1 0 273.380 2.495 10 0 CEAERO C[C@H]([NH3+])Cc1cn(C[C@@H]2CCCO2)c2ncccc12 ZINC000091021740 180088631 /nfs/dbraw/zinc/08/86/31/180088631.db2.gz DCIFXAWXFXEFAB-AAEUAGOBSA-N 1 0 259.353 2.105 10 0 CEAERO CCO[C@@H](C)c1noc(-c2csc([C@@H](C)[NH3+])n2)n1 ZINC000090939113 180067860 /nfs/dbraw/zinc/06/78/60/180067860.db2.gz JMFYWQCJERSUMZ-RQJHMYQMSA-N 1 0 268.342 2.310 10 0 CEAERO COc1ccc(NC(=O)c2csc(CC[NH3+])n2)cc1F ZINC000090946810 180070236 /nfs/dbraw/zinc/07/02/36/180070236.db2.gz CCKRJSBAYHLAKY-UHFFFAOYSA-N 1 0 295.339 2.044 10 0 CEAERO C[C@@](O)(COCc1ccccc1)C1(C[NH3+])CCCC1 ZINC000669377647 539760861 /nfs/dbraw/zinc/76/08/61/539760861.db2.gz VXNBVPIIKVLMIN-OAHLLOKOSA-N 1 0 263.381 2.473 10 0 CEAERO c1cc2c(cn1)nc(C[C@@H]1CSCC[NH2+]1)n2C1CC1 ZINC000091128706 180100382 /nfs/dbraw/zinc/10/03/82/180100382.db2.gz MLEPQEPHNPSHPZ-SNVBAGLBSA-N 1 0 274.393 2.014 10 0 CEAERO C[C@@H]1CCCC[C@H]1OC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000091129940 180100870 /nfs/dbraw/zinc/10/08/70/180100870.db2.gz TWDAWXILGPVOKB-IJLUTSLNSA-N 1 0 257.399 2.203 10 0 CEAERO O=C(C[C@H]1CSCC[NH2+]1)Nc1ccc(F)c(F)c1F ZINC000091133948 180102660 /nfs/dbraw/zinc/10/26/60/180102660.db2.gz NAWOCXPOJADTEN-ZETCQYMHSA-N 1 0 290.310 2.138 10 0 CEAERO CC(C)(C)OC(=O)N1CC2(C1)CC[NH2+]C[C@@H]2C(F)F ZINC000091303476 180130140 /nfs/dbraw/zinc/13/01/40/180130140.db2.gz GPOLKVXZBHTHEJ-SECBINFHSA-N 1 0 276.327 2.098 10 0 CEAERO CC(C)(C)OC(=O)NC1([C@H]2C[NH2+]C[C@@H]2C(F)F)CC1 ZINC000091303483 180130368 /nfs/dbraw/zinc/13/03/68/180130368.db2.gz LROGBRUXGBXHJM-IUCAKERBSA-N 1 0 276.327 2.144 10 0 CEAERO CCc1c(C[NH3+])cnn1-c1cc(F)c(F)cc1F ZINC000091339746 180136664 /nfs/dbraw/zinc/13/66/64/180136664.db2.gz WDFMQWFWJRQWFM-UHFFFAOYSA-N 1 0 255.243 2.311 10 0 CEAERO Cc1ccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)cn1 ZINC000091361168 180140987 /nfs/dbraw/zinc/14/09/87/180140987.db2.gz JBQZLBWGAOYCQA-JYJNAYRXSA-N 1 0 287.407 2.317 10 0 CEAERO Cc1ncc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)s1 ZINC000091360582 180141007 /nfs/dbraw/zinc/14/10/07/180141007.db2.gz ROJCULVHOWYQMQ-UBHSHLNASA-N 1 0 293.436 2.379 10 0 CEAERO Cc1nn(C)c(C)c1NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000091360560 180141062 /nfs/dbraw/zinc/14/10/62/180141062.db2.gz LRNLHFDQRQYLGX-RDBSUJKOSA-N 1 0 290.411 2.286 10 0 CEAERO CCC(CC)N(CCO)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000091360766 180141271 /nfs/dbraw/zinc/14/12/71/180141271.db2.gz FULRLZAVGFGXSU-KBMXLJTQSA-N 1 0 296.455 2.307 10 0 CEAERO O=C(NCC1(O)CCCCC1)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091361700 180141790 /nfs/dbraw/zinc/14/17/90/180141790.db2.gz DCCGWKPNWZPGAA-KKUMJFAQSA-N 1 0 294.439 2.109 10 0 CEAERO C[C@@H](CO)CSc1nc2ccccc2cc1C(N)=[NH2+] ZINC000091256539 180115311 /nfs/dbraw/zinc/11/53/11/180115311.db2.gz BUEIRAXBKRKAOO-VIFPVBQESA-N 1 0 275.377 2.239 10 0 CEAERO CC[NH2+][C@H]1C(=O)Nc2cc(SC[C@H](C)CO)ccc21 ZINC000091256925 180115550 /nfs/dbraw/zinc/11/55/50/180115550.db2.gz SWUFSFVBAZMCRA-NOZJJQNGSA-N 1 0 280.393 2.010 10 0 CEAERO CCC[NH2+][C@@H](CC(=O)OCC)c1cncn1C(C)C ZINC000091274091 180118868 /nfs/dbraw/zinc/11/88/68/180118868.db2.gz HOCZGPHOTLTYQZ-LBPRGKRZSA-N 1 0 267.373 2.458 10 0 CEAERO CCC(C)(C)N(C)[C@H](C[NH3+])c1cncn1C1CC1 ZINC000091276586 180120332 /nfs/dbraw/zinc/12/03/32/180120332.db2.gz LZNXGJKCABNWKH-GFCCVEGCSA-N 1 0 250.390 2.338 10 0 CEAERO C[NH2+]Cc1cccc2c1ccn2Cc1cncn1C ZINC000091278751 180121027 /nfs/dbraw/zinc/12/10/27/180121027.db2.gz YKZWYJUKVBCXEA-UHFFFAOYSA-N 1 0 254.337 2.143 10 0 CEAERO CCC[NH2+][C@H](CC(=O)OCC)c1cncn1C1CC1 ZINC000091277905 180121223 /nfs/dbraw/zinc/12/12/23/180121223.db2.gz NBXQTXGWSCAQSD-GFCCVEGCSA-N 1 0 265.357 2.212 10 0 CEAERO CCNc1c(F)cccc1C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000091432436 180153358 /nfs/dbraw/zinc/15/33/58/180153358.db2.gz IOLDGVUPRHCMFL-LBPRGKRZSA-N 1 0 293.386 2.424 10 0 CEAERO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1[NH2+]C1CC(O)C1 ZINC000091430534 180153467 /nfs/dbraw/zinc/15/34/67/180153467.db2.gz IGCKJGVEKSOZJN-BLYZHGLHSA-N 1 0 298.427 2.183 10 0 CEAERO C[NH+](C)[C@H]1CCCN(c2nc3c(s2)CCC[C@@H]3O)C1 ZINC000091432676 180153536 /nfs/dbraw/zinc/15/35/36/180153536.db2.gz FCLVFZKQXREECE-QWRGUYRKSA-N 1 0 281.425 2.043 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(c2nc3c(s2)C(=O)CCC3)C1 ZINC000091432396 180153617 /nfs/dbraw/zinc/15/36/17/180153617.db2.gz RQFPOZRGCMKOJT-SNVBAGLBSA-N 1 0 279.409 2.193 10 0 CEAERO OC1CC([NH2+][C@H](c2ccccc2)c2ccncc2)C1 ZINC000091432238 180153840 /nfs/dbraw/zinc/15/38/40/180153840.db2.gz LSQMWOOYCXIRMA-UYSNPLJNSA-N 1 0 254.333 2.284 10 0 CEAERO C[NH2+]Cc1cncc(Oc2cccc(COC)c2)n1 ZINC000091435372 180154111 /nfs/dbraw/zinc/15/41/11/180154111.db2.gz IXZJHNPGICMDFA-UHFFFAOYSA-N 1 0 259.309 2.135 10 0 CEAERO Cc1cccc(OCCC[N@@H+](C)CC(C)(C)O)c1 ZINC000091439592 180155962 /nfs/dbraw/zinc/15/59/62/180155962.db2.gz PZUKVRCWILGNRS-UHFFFAOYSA-N 1 0 251.370 2.467 10 0 CEAERO C[C@H]([C@H](O)c1ccccc1)N1CCC[C@H]([NH+](C)C)C1 ZINC000091449617 180157812 /nfs/dbraw/zinc/15/78/12/180157812.db2.gz VVVBNJWFXMMDLW-KBMXLJTQSA-N 1 0 262.397 2.135 10 0 CEAERO CCCNc1ncccc1CN1CCC[C@H]([NH+](C)C)C1 ZINC000091450206 180158084 /nfs/dbraw/zinc/15/80/84/180158084.db2.gz HCCWUHGBIMDJAX-HNNXBMFYSA-N 1 0 276.428 2.430 10 0 CEAERO C[NH+](C)[C@H]1CCCN(Cc2cc3ccccc3nc2N)C1 ZINC000091450204 180158093 /nfs/dbraw/zinc/15/80/93/180158093.db2.gz LVZNJOCNZXUXGX-HNNXBMFYSA-N 1 0 284.407 2.343 10 0 CEAERO Cc1ccc([C@H]([C@@H](C)[NH3+])N(C)CC2CC(O)C2)s1 ZINC000091464604 180163183 /nfs/dbraw/zinc/16/31/83/180163183.db2.gz MHFSOJSAKGVLHN-NPZBDFSRSA-N 1 0 268.426 2.148 10 0 CEAERO CCC[NH2+]CC[C@@](C)(O)c1ccc2c(c1)OCCCO2 ZINC000091466812 180164534 /nfs/dbraw/zinc/16/45/34/180164534.db2.gz FPGWPDRINZSEKH-MRXNPFEDSA-N 1 0 279.380 2.445 10 0 CEAERO CC[NH2+]CC[C@](C)(O)Cc1ccn(C2CCCC2)n1 ZINC000091470347 180164878 /nfs/dbraw/zinc/16/48/78/180164878.db2.gz UBYOFKWLNVOVGE-HNNXBMFYSA-N 1 0 265.401 2.291 10 0 CEAERO CN(CC1CC([NH3+])C1)C(=O)[C@@H]1CCCc2ccccc21 ZINC000091471959 180165161 /nfs/dbraw/zinc/16/51/61/180165161.db2.gz VHMSXDRKFIVOMZ-LDZOIKDWSA-N 1 0 272.392 2.302 10 0 CEAERO CC[C@@H]1CCC(=O)[C@H](C[N@H+](C)CC2CC(O)C2)C1 ZINC000091489745 180169293 /nfs/dbraw/zinc/16/92/93/180169293.db2.gz KBBAPSREGLUTOP-ZIHBUVQPSA-N 1 0 253.386 2.085 10 0 CEAERO CC1(C)C(C(=O)NC[C@H]2CCC[C@H]2C[NH3+])C1(C)C ZINC000091494732 180171309 /nfs/dbraw/zinc/17/13/09/180171309.db2.gz DQRHHZDVSVFDTL-WDEREUQCSA-N 1 0 252.402 2.160 10 0 CEAERO CC[C@H](NC(=O)C1C[NH2+]C1)c1cccc(Cl)c1 ZINC000091406646 180147752 /nfs/dbraw/zinc/14/77/52/180147752.db2.gz KVQNEKNVUMZTST-LBPRGKRZSA-N 1 0 252.745 2.127 10 0 CEAERO c1ccc2c(c1)OCc1sc([C@@H]3C[NH2+]CCO3)nc1-2 ZINC000091500824 180174773 /nfs/dbraw/zinc/17/47/73/180174773.db2.gz XQCLYPSBGIWTMK-NSHDSACASA-N 1 0 274.345 2.363 10 0 CEAERO C[C@H]([NH2+]CC1CC(O)C1)c1ccc(-n2ccnc2)cc1 ZINC000091415532 180149675 /nfs/dbraw/zinc/14/96/75/180149675.db2.gz AIZHNMHUSZGXGP-FUJMWEONSA-N 1 0 271.364 2.294 10 0 CEAERO CCC[NH2+]Cc1cncc(N(CCOC)[C@H](C)CC)n1 ZINC000091420648 180150498 /nfs/dbraw/zinc/15/04/98/180150498.db2.gz XOCNOHKNKXNNDG-CYBMUJFWSA-N 1 0 280.416 2.228 10 0 CEAERO CC[NH2+]Cc1cncc(N(C)c2ccccc2OC)n1 ZINC000091420057 180150567 /nfs/dbraw/zinc/15/05/67/180150567.db2.gz CKGVCGGSVSEZEI-UHFFFAOYSA-N 1 0 272.352 2.363 10 0 CEAERO c1ncc(N2CCCCCCC2)nc1C[NH2+]C1CC1 ZINC000091418995 180150777 /nfs/dbraw/zinc/15/07/77/180150777.db2.gz VANZZCAXLJVIRZ-UHFFFAOYSA-N 1 0 260.385 2.499 10 0 CEAERO CCc1nn(C)c(NCCC[N@@H+]2CCCC[C@H]2C)c1N ZINC000091561242 180191849 /nfs/dbraw/zinc/19/18/49/180191849.db2.gz ZFFHCXWVXAUVBW-GFCCVEGCSA-N 1 0 279.432 2.241 10 0 CEAERO CCn1nccc1[C@@H]([NH2+]C)C(C)(C)N1CCCCC1 ZINC000091564726 180193234 /nfs/dbraw/zinc/19/32/34/180193234.db2.gz NJXOMAHMRPXTRR-CQSZACIVSA-N 1 0 264.417 2.428 10 0 CEAERO CCn1cc(C[C@@H]([NH3+])C(C)(C)N2CCCCC2)cn1 ZINC000091564432 180193362 /nfs/dbraw/zinc/19/33/62/180193362.db2.gz CHYGCHPOROOEIU-CQSZACIVSA-N 1 0 264.417 2.037 10 0 CEAERO CC[NH2+][C@@H](c1cnccn1)C(C)(C)N1CCCCC1 ZINC000091565082 180193646 /nfs/dbraw/zinc/19/36/46/180193646.db2.gz AFSMFVGXOKAZJM-AWEZNQCLSA-N 1 0 262.401 2.392 10 0 CEAERO COc1ccc(CC[C@H](O)C(C)(C)[NH+]2CCOCC2)cc1 ZINC000091565696 180193720 /nfs/dbraw/zinc/19/37/20/180193720.db2.gz VWSJPLJHVQKCKA-INIZCTEOSA-N 1 0 293.407 2.100 10 0 CEAERO CC(C)([C@@H](O)Cc1cccc(Cl)c1)[NH+]1CCOCC1 ZINC000091565722 180193729 /nfs/dbraw/zinc/19/37/29/180193729.db2.gz OJDAPTCARJTDKD-AWEZNQCLSA-N 1 0 283.799 2.354 10 0 CEAERO Cc1ccc([C@@H](O)C(C)(C)[NH+]2CCOCC2)c(C)c1 ZINC000091565921 180194004 /nfs/dbraw/zinc/19/40/04/180194004.db2.gz IRKZPJGICLNSGL-OAHLLOKOSA-N 1 0 263.381 2.448 10 0 CEAERO C[NH2+][C@H](Cc1cc(F)ccc1F)C(C)(C)N1CCOCC1 ZINC000091566610 180194145 /nfs/dbraw/zinc/19/41/45/180194145.db2.gz VUFWPKDVIQVTEU-OAHLLOKOSA-N 1 0 298.377 2.206 10 0 CEAERO CC(C)([C@@H]([NH3+])c1cc(F)cc(F)c1)N1CCOCC1 ZINC000091566260 180194252 /nfs/dbraw/zinc/19/42/52/180194252.db2.gz NRHGBNYSPQENQV-ZDUSSCGKSA-N 1 0 270.323 2.075 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccccn1)C(C)(C)N1CCOCC1 ZINC000091567078 180194572 /nfs/dbraw/zinc/19/45/72/180194572.db2.gz WDSSFQFOLBJKNL-INIZCTEOSA-N 1 0 291.439 2.103 10 0 CEAERO CCC[NH2+][C@H](CC1CCOCC1)C(C)(C)N1CCOCC1 ZINC000091567151 180194953 /nfs/dbraw/zinc/19/49/53/180194953.db2.gz HMNRLNIAHUUCSU-MRXNPFEDSA-N 1 0 298.471 2.282 10 0 CEAERO CC[C@@](C)([C@H](O)Cc1ncc(C)c(OC)c1C)[NH+](C)C ZINC000091569112 180195367 /nfs/dbraw/zinc/19/53/67/180195367.db2.gz CSQFYXHSUKGHCM-ZBFHGGJFSA-N 1 0 280.412 2.341 10 0 CEAERO CC[NH2+][C@H](Cc1ncnn1CC(C)C)[C@@](C)(CC)N(C)C ZINC000091570973 180195568 /nfs/dbraw/zinc/19/55/68/180195568.db2.gz ZTTPRWIYUFAGNK-GDBMZVCRSA-N 1 0 295.475 2.185 10 0 CEAERO CC[C@](C)([C@@H](N)c1cc(Cl)cnc1N)[NH+](C)C ZINC000091569715 180195611 /nfs/dbraw/zinc/19/56/11/180195611.db2.gz DOGQBYSKWGSYFU-CMPLNLGQSA-N 1 0 256.781 2.047 10 0 CEAERO CCn1nc(C)cc1C[C@H]([NH2+]C)[C@@](C)(CC)N(C)C ZINC000091570631 180195621 /nfs/dbraw/zinc/19/56/21/180195621.db2.gz RCMSBOSSKHCDIC-LSDHHAIUSA-N 1 0 266.433 2.072 10 0 CEAERO CC[C@](C)([C@H](O)Cc1ncc(C)c(OC)c1C)[NH+](C)C ZINC000091569113 180195712 /nfs/dbraw/zinc/19/57/12/180195712.db2.gz CSQFYXHSUKGHCM-GDBMZVCRSA-N 1 0 280.412 2.341 10 0 CEAERO CC[C@@](C)([C@@H](N)Cc1ncc(C)c(OC)c1C)[NH+](C)C ZINC000091569694 180195715 /nfs/dbraw/zinc/19/57/15/180195715.db2.gz BBLLNWPIIYFQPQ-HOCLYGCPSA-N 1 0 279.428 2.307 10 0 CEAERO CC[C@@](C)([C@H]([NH2+]C)c1cc(Cl)cnc1N)N(C)C ZINC000091570340 180195922 /nfs/dbraw/zinc/19/59/22/180195922.db2.gz WYMWOINVSYWYJU-YPMHNXCESA-N 1 0 270.808 2.308 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@H](O)c1cccnc1N ZINC000091573021 180196143 /nfs/dbraw/zinc/19/61/43/180196143.db2.gz RDJLHUZDYLZCMT-TZMCWYRMSA-N 1 0 251.374 2.208 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@@H](N)Cc1ncnn1C(C)C ZINC000091598922 180201994 /nfs/dbraw/zinc/20/19/94/180201994.db2.gz JSGFJVAVFDOUSQ-ZFWWWQNUSA-N 1 0 281.448 2.239 10 0 CEAERO CCN(CC)[C@](C)(CC)[C@@H](Cc1cc(C)nn1C)[NH2+]C ZINC000091599671 180202100 /nfs/dbraw/zinc/20/21/00/180202100.db2.gz PIXHWFDFNFZTBS-HZPDHXFCSA-N 1 0 280.460 2.370 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@H](NC)c1nccn1C ZINC000091599368 180202180 /nfs/dbraw/zinc/20/21/80/180202180.db2.gz XNMCTUSIGWCWMM-OCCSQVGLSA-N 1 0 252.406 2.191 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@@H](NC)c1cnn(C)c1 ZINC000091599622 180202652 /nfs/dbraw/zinc/20/26/52/180202652.db2.gz UKFSGCVMTOLWKJ-UONOGXRCSA-N 1 0 252.406 2.191 10 0 CEAERO CCn1cc(C[C@H](O)[C@](C)(CC)[NH+]2CCCC2)cn1 ZINC000091602978 180202844 /nfs/dbraw/zinc/20/28/44/180202844.db2.gz VKGRXRFFSGYSBN-GJZGRUSLSA-N 1 0 265.401 2.071 10 0 CEAERO CC[C@@](C)([C@H](N)Cc1ncnn1CC(C)C)[NH+]1CCCC1 ZINC000091604447 180203057 /nfs/dbraw/zinc/20/30/57/180203057.db2.gz UQPORGAQIQSKES-ZBFHGGJFSA-N 1 0 293.459 2.068 10 0 CEAERO CCn1cc([C@@H](O)[C@@](C)(CC)[NH+]2CCCC2)cn1 ZINC000091602753 180203616 /nfs/dbraw/zinc/20/36/16/180203616.db2.gz JBRPNUDFZQIQOG-ZIAGYGMSSA-N 1 0 251.374 2.201 10 0 CEAERO CC[C@](C)([C@H](N)c1cncc(F)c1)[NH+]1CCCC1 ZINC000091605630 180203769 /nfs/dbraw/zinc/20/37/69/180203769.db2.gz LHVJEPGXHIFTCA-ZIAGYGMSSA-N 1 0 251.349 2.485 10 0 CEAERO CC[C@](C)([C@@H](N)c1cncc(F)c1)[NH+]1CCCC1 ZINC000091605634 180203869 /nfs/dbraw/zinc/20/38/69/180203869.db2.gz LHVJEPGXHIFTCA-UONOGXRCSA-N 1 0 251.349 2.485 10 0 CEAERO CC[NH2+][C@H](c1cncnc1)[C@](C)(CC)N1CCCC1 ZINC000091607177 180204489 /nfs/dbraw/zinc/20/44/89/180204489.db2.gz ZKCMWSIJXKJIFK-CABCVRRESA-N 1 0 262.401 2.392 10 0 CEAERO CC[C@@](C)([C@@H](Cc1cccnc1N)[NH2+]C)N1CCCC1 ZINC000091606343 180204747 /nfs/dbraw/zinc/20/47/47/180204747.db2.gz FJLBMOWLXNOODC-ZBFHGGJFSA-N 1 0 276.428 2.059 10 0 CEAERO CC[C@@](C)([C@H](O)Cc1ncnn1C(C)C)[NH+]1CCCCC1 ZINC000091608433 180205062 /nfs/dbraw/zinc/20/50/62/180205062.db2.gz KPVONCBMDICXNC-ZBFHGGJFSA-N 1 0 294.443 2.417 10 0 CEAERO CC[C@@](C)([C@@H](N)Cc1cc(C)nn1C)[NH+]1CCCCC1 ZINC000091609299 180205245 /nfs/dbraw/zinc/20/52/45/180205245.db2.gz OIEWWWQZPLNBCI-HOTGVXAUSA-N 1 0 278.444 2.253 10 0 CEAERO CC[C@@](C)([C@@H](O)CCc1ccccc1)[NH+]1CCOCC1 ZINC000091610951 180205919 /nfs/dbraw/zinc/20/59/19/180205919.db2.gz UVLYZKJPVPQXTC-IRXDYDNUSA-N 1 0 277.408 2.481 10 0 CEAERO CC[C@@](C)([C@H]([NH3+])Cc1cccc(C)c1)N1CCOCC1 ZINC000091611889 180206647 /nfs/dbraw/zinc/20/66/47/180206647.db2.gz VOHLAUAWMWVVRB-SJORKVTESA-N 1 0 276.424 2.366 10 0 CEAERO CC[C@@](C)([C@H]([NH3+])Cc1cccs1)N1CCOCC1 ZINC000091611869 180206777 /nfs/dbraw/zinc/20/67/77/180206777.db2.gz INJYNVWXKKNHSA-KGLIPLIRSA-N 1 0 268.426 2.119 10 0 CEAERO CC[NH2+][C@H](Cc1cnccc1N)C(CC)(CC)N(C)C ZINC000091614680 180207705 /nfs/dbraw/zinc/20/77/05/180207705.db2.gz ZXJAXDWOWKQWGG-OAHLLOKOSA-N 1 0 278.444 2.305 10 0 CEAERO CCN(CC)C(CC)(CC)[C@@H](Cc1cnn(C)c1)[NH2+]C ZINC000091616193 180207907 /nfs/dbraw/zinc/20/79/07/180207907.db2.gz WKSKZAWAMYRWIV-OAHLLOKOSA-N 1 0 280.460 2.451 10 0 CEAERO CCC(CC)([C@H](N)c1c(C)ccnc1N)[NH+](C)C ZINC000091613925 180208038 /nfs/dbraw/zinc/20/80/38/180208038.db2.gz SZUQOWSIDISXNX-GFCCVEGCSA-N 1 0 250.390 2.092 10 0 CEAERO CCN[C@@H](c1nccn1C)C(CC)(CC)[NH+](C)C ZINC000091614731 180208049 /nfs/dbraw/zinc/20/80/49/180208049.db2.gz XUIQVJLMTAGHMQ-LBPRGKRZSA-N 1 0 252.406 2.191 10 0 CEAERO CCC[NH2+][C@H](c1cncnc1)[C@@](C)(CC)N1CCOCC1 ZINC000091613090 180208123 /nfs/dbraw/zinc/20/81/23/180208123.db2.gz KKROAHNKOUHJAU-HZPDHXFCSA-N 1 0 292.427 2.018 10 0 CEAERO Cc1cc(F)cc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000091514068 180176853 /nfs/dbraw/zinc/17/68/53/180176853.db2.gz FEVDGGXKICCEQH-GWCFXTLKSA-N 1 0 250.317 2.448 10 0 CEAERO CCCn1ccnc1[C@@H](O)C(CC)(CC)[NH+](C)C ZINC000091613754 180208290 /nfs/dbraw/zinc/20/82/90/180208290.db2.gz PWJIULDYVIAGOF-GFCCVEGCSA-N 1 0 253.390 2.447 10 0 CEAERO Cc1nn(C)c(C[C@@](C)(O)CC[NH2+]CC(C)C)c1Cl ZINC000091520229 180178191 /nfs/dbraw/zinc/17/81/91/180178191.db2.gz YADOLEIVXJTMNZ-AWEZNQCLSA-N 1 0 287.835 2.311 10 0 CEAERO Cc1nc(C[C@@](C)(O)CC[NH2+]CC(C)C)cs1 ZINC000091523838 180178365 /nfs/dbraw/zinc/17/83/65/180178365.db2.gz UQHXOVZIVODQRC-ZDUSSCGKSA-N 1 0 256.415 2.381 10 0 CEAERO COCC[NH2+]CC[C@](C)(O)c1cccc2cnccc21 ZINC000091523479 180178384 /nfs/dbraw/zinc/17/83/84/180178384.db2.gz ZRKKQCVMMZGHBM-INIZCTEOSA-N 1 0 274.364 2.068 10 0 CEAERO O[C@H](C[NH2+]CC1CC(O)C1)c1ccc(C(F)(F)F)cc1 ZINC000091525313 180178817 /nfs/dbraw/zinc/17/88/17/180178817.db2.gz AZUHVEQIRIPNRW-UTVJUBTNSA-N 1 0 289.297 2.099 10 0 CEAERO CCn1nc(C)c(Cl)c1CC(=O)C(C)(C)[NH+](C)C ZINC000091528146 180179662 /nfs/dbraw/zinc/17/96/62/180179662.db2.gz ZKTIRUUXPLPXLR-UHFFFAOYSA-N 1 0 271.792 2.317 10 0 CEAERO C[NH2+][C@H](c1ccc2c(c1)OCCO2)C(C)(C)N(C)C ZINC000091528698 180180240 /nfs/dbraw/zinc/18/02/40/180180240.db2.gz AQMGCOQQBJJERI-CQSZACIVSA-N 1 0 264.369 2.059 10 0 CEAERO CC[NH+](CC)C(C)(C)[C@H](O)c1c(C)ccnc1N ZINC000091529882 180180298 /nfs/dbraw/zinc/18/02/98/180180298.db2.gz XVRGJPJJBSMDTN-GFCCVEGCSA-N 1 0 251.374 2.126 10 0 CEAERO C[NH2+][C@H](c1cc(OC)ccc1OC)C(C)(C)N(C)C ZINC000091528842 180180841 /nfs/dbraw/zinc/18/08/41/180180841.db2.gz DBOKMJOQESFKOY-CQSZACIVSA-N 1 0 266.385 2.305 10 0 CEAERO Cn1nc(C[C@@H](O)C(C)(C)[NH+]2CCCC2)c2ccccc21 ZINC000091533180 180181381 /nfs/dbraw/zinc/18/13/81/180181381.db2.gz KXRRYMWHIDFINY-MRXNPFEDSA-N 1 0 287.407 2.351 10 0 CEAERO CC[NH2+][C@H](c1cnccc1N)C(C)(C)N1CCCC1 ZINC000091535343 180182295 /nfs/dbraw/zinc/18/22/95/180182295.db2.gz FYKZBNBGUGHSQF-CQSZACIVSA-N 1 0 262.401 2.189 10 0 CEAERO CC(C)c1csc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)n1 ZINC000091544265 180185700 /nfs/dbraw/zinc/18/57/00/180185700.db2.gz FOEUXBPFUXTLNN-RKDXNWHRSA-N 1 0 253.371 2.332 10 0 CEAERO CC[C@H](C)N1C(=O)C[C@H]([NH2+]C2CCC(CC)CC2)C1=O ZINC000105025791 186038205 /nfs/dbraw/zinc/03/82/05/186038205.db2.gz XFIPBEVIXNROAZ-ABXWRUBCSA-N 1 0 280.412 2.471 10 0 CEAERO Cc1nn(C(C)C)c(C)c1NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091545870 180186601 /nfs/dbraw/zinc/18/66/01/180186601.db2.gz FYKDWHQZKHQWOO-RYUDHWBXSA-N 1 0 264.373 2.147 10 0 CEAERO CC(=O)Nc1ccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)cc1Cl ZINC000091546625 180186874 /nfs/dbraw/zinc/18/68/74/180186874.db2.gz XDOVUQDDJUZNIO-UWVGGRQHSA-N 1 0 295.770 2.364 10 0 CEAERO CCn1nc(C)c(N)c1NCCC[N@@H+]1CCCC[C@H]1C ZINC000091549799 180188766 /nfs/dbraw/zinc/18/87/66/180188766.db2.gz QDDJEOLVUKNNTD-GFCCVEGCSA-N 1 0 279.432 2.470 10 0 CEAERO CCC(CC)([C@H](O)Cc1ncnn1C(C)C)[NH+]1CCCC1 ZINC000091634428 180210160 /nfs/dbraw/zinc/21/01/60/180210160.db2.gz MBIQTTJKNUSKKZ-CQSZACIVSA-N 1 0 294.443 2.417 10 0 CEAERO CCC(CC)([C@@H](O)c1cnn(C)c1)[NH+]1CCCC1 ZINC000091634611 180211498 /nfs/dbraw/zinc/21/14/98/180211498.db2.gz KPXRINOOVRLHGT-ZDUSSCGKSA-N 1 0 251.374 2.108 10 0 CEAERO CC[NH+](CC)C1([C@H](N)Cc2ccnc(N)c2)CCCC1 ZINC000091639092 180211869 /nfs/dbraw/zinc/21/18/69/180211869.db2.gz OMTGAJQZRVMZDJ-CQSZACIVSA-N 1 0 276.428 2.188 10 0 CEAERO CC[NH+](CC)C1([C@H](N)c2cnccc2N)CCCC1 ZINC000091639170 180212408 /nfs/dbraw/zinc/21/24/08/180212408.db2.gz ZQXBYNSUKCYIEJ-CQSZACIVSA-N 1 0 262.401 2.318 10 0 CEAERO CCC[NH2+][C@H](c1ccnn1C)C1(N(C)C)CCCC1 ZINC000091638400 180212467 /nfs/dbraw/zinc/21/24/67/180212467.db2.gz ASBKQRRXTDTIAB-CQSZACIVSA-N 1 0 264.417 2.335 10 0 CEAERO CC(C)n1ccc(C[C@H](N)C2([NH+](C)C)CCCC2)n1 ZINC000091637422 180212691 /nfs/dbraw/zinc/21/26/91/180212691.db2.gz NZGDDHNHICQSHP-AWEZNQCLSA-N 1 0 264.417 2.208 10 0 CEAERO O[C@H](Cc1ccncc1)C1([NH+]2CCCC2)CCCC1 ZINC000091640418 180212961 /nfs/dbraw/zinc/21/29/61/180212961.db2.gz PKMCJLPEGZQECB-OAHLLOKOSA-N 1 0 260.381 2.394 10 0 CEAERO Nc1ncccc1[C@@H](O)C1([NH+]2CCCC2)CCCC1 ZINC000091640280 180213518 /nfs/dbraw/zinc/21/35/18/180213518.db2.gz GRNFNWPQACUXDX-CYBMUJFWSA-N 1 0 261.369 2.106 10 0 CEAERO COc1ccc([C@@H]([NH3+])C2(N3CCOCC3)CCCC2)cc1 ZINC000091642829 180214267 /nfs/dbraw/zinc/21/42/67/180214267.db2.gz HRQHSOJZQAYZMW-MRXNPFEDSA-N 1 0 290.407 2.340 10 0 CEAERO CCC[NH2+][C@@H](C1CC1)C1(N2CCOCC2)CCCC1 ZINC000091646361 180215437 /nfs/dbraw/zinc/21/54/37/180215437.db2.gz APVWFAPQZQZASV-HNNXBMFYSA-N 1 0 266.429 2.410 10 0 CEAERO CC1CCC([C@H](N)Cc2ccncc2)([NH+](C)C)CC1 ZINC000091648979 180216031 /nfs/dbraw/zinc/21/60/31/180216031.db2.gz PBSWVDPBTKYACX-OGVSOVDVSA-N 1 0 261.413 2.462 10 0 CEAERO CCCn1ncnc1CC(=O)[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000091650733 180216111 /nfs/dbraw/zinc/21/61/11/180216111.db2.gz IRZDYOOEUYNXPA-CJNGLKHVSA-N 1 0 292.427 2.310 10 0 CEAERO CC1CCC([C@@H](N)c2cnccc2N)([NH+](C)C)CC1 ZINC000091648808 180216254 /nfs/dbraw/zinc/21/62/54/180216254.db2.gz UBOKLVQFOFIAOR-WPBUFGDCSA-N 1 0 262.401 2.174 10 0 CEAERO Cc1cnc(N)c([C@H](N)C2([NH+](C)C)CCC(C)CC2)c1 ZINC000091648757 180216639 /nfs/dbraw/zinc/21/66/39/180216639.db2.gz BDKHMBKHUZJKHV-WMEQCIOUSA-N 1 0 276.428 2.483 10 0 CEAERO Cc1cc(CC(=O)[C@@]2([NH+](C)C)CCC[C@@H](C)C2)n(C)n1 ZINC000091649662 180216707 /nfs/dbraw/zinc/21/67/07/180216707.db2.gz LMXBDPOMUPCLGY-MLGOLLRUSA-N 1 0 277.412 2.351 10 0 CEAERO C[NH+](C)C1([C@@H](N)Cc2cccnc2N)CCCCCC1 ZINC000091654152 180216914 /nfs/dbraw/zinc/21/69/14/180216914.db2.gz AMBUQZKZJFKGFU-AWEZNQCLSA-N 1 0 276.428 2.188 10 0 CEAERO Cn1nccc1[C@H](O)C1([NH+](C)C)CCCCCC1 ZINC000091654011 180216916 /nfs/dbraw/zinc/21/69/16/180216916.db2.gz ARVHKDNUNDBTJA-ZDUSSCGKSA-N 1 0 251.374 2.108 10 0 CEAERO C[NH2+][C@H](c1cccnc1N)[C@@]1(N(C)C)CCC[C@@H](C)C1 ZINC000091652987 180217065 /nfs/dbraw/zinc/21/70/65/180217065.db2.gz UHAILZQTVADIMO-XNRPHZJLSA-N 1 0 276.428 2.435 10 0 CEAERO C[NH2+][C@H](c1ccnn1C)C1(N(C)C)CCCCCC1 ZINC000091654518 180217128 /nfs/dbraw/zinc/21/71/28/180217128.db2.gz SAAHCYNWXRNISD-CQSZACIVSA-N 1 0 264.417 2.335 10 0 CEAERO c1ccc(CCC[NH2+]C[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000091666175 180222394 /nfs/dbraw/zinc/22/23/94/180222394.db2.gz KTXSPLHPBLUPEK-SJORKVTESA-N 1 0 274.408 2.072 10 0 CEAERO CN1CCO[C@@H](C[NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000091667195 180223319 /nfs/dbraw/zinc/22/33/19/180223319.db2.gz OKKFPVNZBVXYEI-MCIGGMRASA-N 1 0 280.334 2.028 10 0 CEAERO Cc1cc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)nc(C(C)C)n1 ZINC000091673028 180224119 /nfs/dbraw/zinc/22/41/19/180224119.db2.gz HHVZFIURDKARIN-KGLIPLIRSA-N 1 0 290.411 2.184 10 0 CEAERO CCC[NH2+][C@@H](c1ccccc1C)[C@H]1CN(C)CCO1 ZINC000091718936 180233188 /nfs/dbraw/zinc/23/31/88/180233188.db2.gz NPXKSYLMOPMWAB-CVEARBPZSA-N 1 0 262.397 2.366 10 0 CEAERO CC[NH2+][C@H](c1ccc(OC(C)C)cc1)[C@@H]1CN(C)CCO1 ZINC000091718319 180233458 /nfs/dbraw/zinc/23/34/58/180233458.db2.gz XCIBQDMMNGMJPG-DLBZAZTESA-N 1 0 292.423 2.455 10 0 CEAERO CCC[NH2+][C@@H](c1ccccc1OCC)[C@H]1CN(C)CCO1 ZINC000091719444 180234202 /nfs/dbraw/zinc/23/42/02/180234202.db2.gz PAGVVOGYCFCLFU-SJORKVTESA-N 1 0 292.423 2.457 10 0 CEAERO CCC[NH2+][C@@H](CCC(F)(F)F)[C@@H]1CN(C)CCO1 ZINC000091719514 180234225 /nfs/dbraw/zinc/23/42/25/180234225.db2.gz HTSKZINJPITKCX-QWRGUYRKSA-N 1 0 268.323 2.028 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccc(CC)cc1)[C@H]1CN(C)CCO1 ZINC000091718996 180234402 /nfs/dbraw/zinc/23/44/02/180234402.db2.gz UXOTUKVXUGNWLS-ZWKOTPCHSA-N 1 0 290.451 2.490 10 0 CEAERO CCOc1ccc([C@@H]([NH3+])CN(C)C)cc1OCC ZINC000091719575 180234624 /nfs/dbraw/zinc/23/46/24/180234624.db2.gz AUBJLYABQAWHHT-LBPRGKRZSA-N 1 0 252.358 2.045 10 0 CEAERO C[NH2+][C@H](c1ccccc1Cl)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091720956 180236547 /nfs/dbraw/zinc/23/65/47/180236547.db2.gz HOGBXXZTEGGSEY-KCPJHIHWSA-N 1 0 280.799 2.464 10 0 CEAERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1ccc(Cl)s1 ZINC000624235086 350238395 /nfs/dbraw/zinc/23/83/95/350238395.db2.gz DFMMYHJFFSGKGD-CIUDSAMLSA-N 1 0 261.774 2.202 10 0 CEAERO CC[NH2+][C@H](Cc1ccccc1F)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721527 180237997 /nfs/dbraw/zinc/23/79/97/180237997.db2.gz RFKWTMUIYCCFHO-DJIMGWMZSA-N 1 0 292.398 2.210 10 0 CEAERO C[NH2+][C@H](Cc1ccccc1Cl)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721287 180238570 /nfs/dbraw/zinc/23/85/70/180238570.db2.gz OWQFECWTKBGUKE-FVQBIDKESA-N 1 0 294.826 2.334 10 0 CEAERO CC[C@H](C)[C@@H](C)NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105188151 186045426 /nfs/dbraw/zinc/04/54/26/186045426.db2.gz AQSYMHBCSREOMM-BFHYXJOUSA-N 1 0 267.417 2.301 10 0 CEAERO CCc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])o1 ZINC000091762927 180248337 /nfs/dbraw/zinc/24/83/37/180248337.db2.gz KOOHETLCWXZSKE-ZYHUDNBSSA-N 1 0 250.342 2.089 10 0 CEAERO CCc1ccc(C(=O)N[C@H]2CCCCC[C@@H]2[NH3+])o1 ZINC000091762645 180248600 /nfs/dbraw/zinc/24/86/00/180248600.db2.gz GXQBWZVPKUDXAE-RYUDHWBXSA-N 1 0 250.342 2.232 10 0 CEAERO CCc1ccc(C(=O)NCc2ccc(CC[NH3+])cc2)o1 ZINC000091762539 180248616 /nfs/dbraw/zinc/24/86/16/180248616.db2.gz MTWZJDSYGUWFNX-UHFFFAOYSA-N 1 0 272.348 2.273 10 0 CEAERO CC[C@H](C)N1C(=O)C[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2C)C1=O ZINC000105500694 186062087 /nfs/dbraw/zinc/06/20/87/186062087.db2.gz CPTKNIQRMZLUDJ-XUXIUFHCSA-N 1 0 280.412 2.328 10 0 CEAERO CCc1ccc(C(=O)N[C@H]2c3ccccc3C[C@H]2[NH3+])o1 ZINC000091777303 180251599 /nfs/dbraw/zinc/25/15/99/180251599.db2.gz QVJBWHUCALCEMY-HIFRSBDPSA-N 1 0 270.332 2.197 10 0 CEAERO CCc1ccc(-c2nc(C[C@@H]3CCC[NH2+]C3)no2)o1 ZINC000091776793 180251880 /nfs/dbraw/zinc/25/18/80/180251880.db2.gz HRRGXQRUMZBQJL-JTQLQIEISA-N 1 0 261.325 2.434 10 0 CEAERO CCc1ccc(C(=O)N[C@H]2c3ccccc3C[C@@H]2[NH3+])o1 ZINC000091777300 180252071 /nfs/dbraw/zinc/25/20/71/180252071.db2.gz QVJBWHUCALCEMY-ZFWWWQNUSA-N 1 0 270.332 2.197 10 0 CEAERO C[NH2+][C@@H](C)c1cccn1CC(=O)Nc1ccc(OC)cc1 ZINC000091800869 180258799 /nfs/dbraw/zinc/25/87/99/180258799.db2.gz XDULCEHZEPHSRA-LBPRGKRZSA-N 1 0 287.363 2.416 10 0 CEAERO C[NH2+][C@H](C)c1cccn1Cc1nccn1C(F)F ZINC000091801256 180259128 /nfs/dbraw/zinc/25/91/28/180259128.db2.gz BECPVTUBGVXWDT-SECBINFHSA-N 1 0 254.284 2.408 10 0 CEAERO C[NH2+][C@H](C)c1cccn1CC(=O)Nc1ccc(OC)cc1 ZINC000091800871 180259240 /nfs/dbraw/zinc/25/92/40/180259240.db2.gz XDULCEHZEPHSRA-GFCCVEGCSA-N 1 0 287.363 2.416 10 0 CEAERO CCCC1CCC([NH2+]C[C@@H]2CN(C)CCO2)CC1 ZINC000105471916 186058607 /nfs/dbraw/zinc/05/86/07/186058607.db2.gz CGIJVGJZCQLURC-YMAMQOFZSA-N 1 0 254.418 2.266 10 0 CEAERO CCN(C(=O)CC[C@H]1CCCCO1)C1CCC([NH3+])CC1 ZINC000091850175 180272562 /nfs/dbraw/zinc/27/25/62/180272562.db2.gz GGGLNLJYKUZCSG-YMAMQOFZSA-N 1 0 282.428 2.454 10 0 CEAERO CCCN(c1ccccc1C(N)=O)C1CCC([NH3+])CC1 ZINC000091852761 180272696 /nfs/dbraw/zinc/27/26/96/180272696.db2.gz JPPDMXUCKQPEBP-UHFFFAOYSA-N 1 0 275.396 2.272 10 0 CEAERO CCCN(C(=O)c1cccnc1)C1CCC([NH3+])CC1 ZINC000091851916 180272900 /nfs/dbraw/zinc/27/29/00/180272900.db2.gz LJYRSEIHYOZLFB-UHFFFAOYSA-N 1 0 261.369 2.204 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)c2ccc(C)c(O)c2)CC1 ZINC000091854563 180274368 /nfs/dbraw/zinc/27/43/68/180274368.db2.gz VCCPHUVPUUXKDJ-UHFFFAOYSA-N 1 0 276.380 2.303 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)[C@H]2Cc3ccccc32)CC1 ZINC000091854521 180274612 /nfs/dbraw/zinc/27/46/12/180274612.db2.gz SEZZNZWIWGEMIG-XUJLQICISA-N 1 0 272.392 2.315 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)Cc2ccccc2OC)CC1 ZINC000091854518 180274820 /nfs/dbraw/zinc/27/48/20/180274820.db2.gz ZJYGUSZZWUUWON-UHFFFAOYSA-N 1 0 290.407 2.227 10 0 CEAERO CCC[C@H](C)NC(=O)Cn1ccc([C@H](C)[NH2+]C)c1 ZINC000091804633 180259999 /nfs/dbraw/zinc/25/99/99/180259999.db2.gz WWJAPBHLCSHXDU-RYUDHWBXSA-N 1 0 251.374 2.073 10 0 CEAERO C[NH2+][C@@H](C)c1ccn(CC(=O)Nc2cccc(OC)c2)c1 ZINC000091804335 180260220 /nfs/dbraw/zinc/26/02/20/180260220.db2.gz UVOKIBYJCXPHPW-LBPRGKRZSA-N 1 0 287.363 2.416 10 0 CEAERO CCCNC(=O)Cn1ccc([C@@H](C)[NH2+]CCC)c1 ZINC000091805795 180260718 /nfs/dbraw/zinc/26/07/18/180260718.db2.gz VWPYHZZAGJIUDG-GFCCVEGCSA-N 1 0 251.374 2.075 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccn(CC(=O)N[C@@H](C)CC)c1 ZINC000091805927 180261032 /nfs/dbraw/zinc/26/10/32/180261032.db2.gz GBQSLCZLVPFBPB-STQMWFEESA-N 1 0 265.401 2.463 10 0 CEAERO CC[C@H]([NH3+])c1ccn(Cc2ncc(Cl)n2C)c1 ZINC000091816247 180261539 /nfs/dbraw/zinc/26/15/39/180261539.db2.gz AMMJRYNEVRXAQN-JTQLQIEISA-N 1 0 252.749 2.333 10 0 CEAERO CCC[C@@H]([NH3+])c1ccn(CCC(=O)NC(C)C)c1 ZINC000091820651 180264040 /nfs/dbraw/zinc/26/40/40/180264040.db2.gz QRRUXEFUEWEYNE-CYBMUJFWSA-N 1 0 251.374 2.203 10 0 CEAERO CCC[NH2+][C@H](c1ccn(C[C@@H](C)C(N)=O)c1)C(C)C ZINC000091828192 180264644 /nfs/dbraw/zinc/26/46/44/180264644.db2.gz QEMDEJXLWLXXLO-OCCSQVGLSA-N 1 0 265.401 2.306 10 0 CEAERO C[NH2+][C@H](c1ccn(CCC(=O)NC(C)C)c1)C(C)C ZINC000091826544 180264837 /nfs/dbraw/zinc/26/48/37/180264837.db2.gz QEASXULRDPJWDA-HNNXBMFYSA-N 1 0 265.401 2.319 10 0 CEAERO CCC(C)(C)NC(=O)Cn1ccc([C@H]([NH3+])C(C)C)c1 ZINC000091826074 180265257 /nfs/dbraw/zinc/26/52/57/180265257.db2.gz PFRBMGYPEQPTRE-CQSZACIVSA-N 1 0 265.401 2.449 10 0 CEAERO CCC[NH2+][C@H](c1ccn(CCS(=O)(=O)CC)c1)C1CC1 ZINC000091839253 180267987 /nfs/dbraw/zinc/26/79/87/180267987.db2.gz NBANNRAHBWPDIP-HNNXBMFYSA-N 1 0 298.452 2.374 10 0 CEAERO CCNC(=O)CCn1ccc([C@@H]([NH2+]CC)C2CC2)c1 ZINC000091838261 180268113 /nfs/dbraw/zinc/26/81/13/180268113.db2.gz SOHVRDNLHUKNGJ-HNNXBMFYSA-N 1 0 263.385 2.075 10 0 CEAERO CCN(c1ncnc2onc(C)c21)C1CCC([NH3+])CC1 ZINC000091851155 180272015 /nfs/dbraw/zinc/27/20/15/180272015.db2.gz JRCJAGAFKLQWPJ-UHFFFAOYSA-N 1 0 275.356 2.022 10 0 CEAERO COc1ccc(N(CCC[NH3+])C(=O)N2CCCC2)cc1 ZINC000091962956 180292965 /nfs/dbraw/zinc/29/29/65/180292965.db2.gz HFUNHJCDHOBDNG-UHFFFAOYSA-N 1 0 277.368 2.066 10 0 CEAERO CCN(C(=O)N1CCCC1)[C@H]1CCCC[C@H]1C[NH3+] ZINC000091968566 180294375 /nfs/dbraw/zinc/29/43/75/180294375.db2.gz CVJFLZIKMMKJRD-STQMWFEESA-N 1 0 253.390 2.042 10 0 CEAERO CCC[NH2+]C1CCC(NC(=O)N2CCCCC2)CC1 ZINC000091969132 180294404 /nfs/dbraw/zinc/29/44/04/180294404.db2.gz ZYQNOKBSSVQRFB-UHFFFAOYSA-N 1 0 267.417 2.493 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)c2cccn2C2CC2)CC1 ZINC000091872173 180277827 /nfs/dbraw/zinc/27/78/27/180277827.db2.gz ILFYNLWDYLGNKP-UHFFFAOYSA-N 1 0 275.396 2.426 10 0 CEAERO CCn1ncnc1C[C@@]1(C(C)C)CCCCC[NH2+]1 ZINC000091875066 180278560 /nfs/dbraw/zinc/27/85/60/180278560.db2.gz UCAZIFJQYMGOON-CQSZACIVSA-N 1 0 250.390 2.399 10 0 CEAERO CCn1ncnc1C[C@]1(C(C)C)CCCCC[NH2+]1 ZINC000091875065 180278741 /nfs/dbraw/zinc/27/87/41/180278741.db2.gz UCAZIFJQYMGOON-AWEZNQCLSA-N 1 0 250.390 2.399 10 0 CEAERO [NH3+]C[C@]1(C2(O)CCCCC2)COc2ccccc2C1 ZINC000091904603 180282970 /nfs/dbraw/zinc/28/29/70/180282970.db2.gz ORRGGLFKMPEXOB-HNNXBMFYSA-N 1 0 261.365 2.262 10 0 CEAERO [NH3+]CC1([C@@]2(O)CCCCc3ccccc32)CCOCC1 ZINC000091905260 180283852 /nfs/dbraw/zinc/28/38/52/180283852.db2.gz AWYFRQLZJMEXRH-QGZVFWFLSA-N 1 0 275.392 2.356 10 0 CEAERO O=C(N1CCC[C@H]1[C@@H]1CCC[NH2+]C1)N1CCCCC1 ZINC000091969186 180294761 /nfs/dbraw/zinc/29/47/61/180294761.db2.gz HCJDBVUFHKSSOI-KGLIPLIRSA-N 1 0 265.401 2.056 10 0 CEAERO CC(C)(C[NH3+])[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000091909986 180284540 /nfs/dbraw/zinc/28/45/40/180284540.db2.gz LMDKNIVNPUJNEU-LBPRGKRZSA-N 1 0 271.744 2.130 10 0 CEAERO COc1ccc([C@H](O)C(C)(C)C[NH3+])cc1OC(F)F ZINC000091909128 180284807 /nfs/dbraw/zinc/28/48/07/180284807.db2.gz IZHXUPRIGOFCDC-NSHDSACASA-N 1 0 275.295 2.315 10 0 CEAERO CC[C@](C)(C[NH3+])[C@@H](O)c1cc(OC)cc(OC)c1 ZINC000091911708 180285165 /nfs/dbraw/zinc/28/51/65/180285165.db2.gz HUYFRZRMRIQJLW-UONOGXRCSA-N 1 0 253.342 2.112 10 0 CEAERO CCc1ccc([C@H](O)C2(C[NH3+])CCOCC2)s1 ZINC000091912917 180285195 /nfs/dbraw/zinc/28/51/95/180285195.db2.gz JGTDTPLLKLXSCW-LBPRGKRZSA-N 1 0 255.383 2.099 10 0 CEAERO CC1(C)CCC(C[NH3+])([C@H](O)[C@H]2CCCOC2)CC1 ZINC000091913519 180285227 /nfs/dbraw/zinc/28/52/27/180285227.db2.gz GGYYCOKSBZMAJZ-QWHCGFSZSA-N 1 0 255.402 2.319 10 0 CEAERO [NH3+]CC1([C@H](O)c2cc3ccccc3o2)CCOCC1 ZINC000091912056 180285300 /nfs/dbraw/zinc/28/53/00/180285300.db2.gz KFUDPBKKZJUHGE-CQSZACIVSA-N 1 0 261.321 2.222 10 0 CEAERO CSCC[C@H](O)[C@@]1(C[NH3+])CCCc2ccccc21 ZINC000091917486 180285721 /nfs/dbraw/zinc/28/57/21/180285721.db2.gz NEJKPNGOIQKIDX-LSDHHAIUSA-N 1 0 265.422 2.333 10 0 CEAERO CC1(C)C[C@@](O)(C2(C[NH3+])Cc3ccccc3C2)CCO1 ZINC000091919016 180286534 /nfs/dbraw/zinc/28/65/34/180286534.db2.gz MXTSPJAHPYZFHX-QGZVFWFLSA-N 1 0 275.392 2.050 10 0 CEAERO COc1ccc(C[C@](C)(O)C2(C[NH3+])CCC2)cc1OC ZINC000091919827 180286631 /nfs/dbraw/zinc/28/66/31/180286631.db2.gz OLQMTMDSUFEYRY-HNNXBMFYSA-N 1 0 279.380 2.126 10 0 CEAERO CC(C)C1CCC(C[NH3+])([C@@]2(O)CCCOC2)CC1 ZINC000091919164 180286813 /nfs/dbraw/zinc/28/68/13/180286813.db2.gz WEKUKWVKZTZOAA-YMAMQOFZSA-N 1 0 255.402 2.319 10 0 CEAERO CN(Cc1cccc(C(N)=[NH2+])c1)C(=O)N1CCCCC1 ZINC000091969837 180295251 /nfs/dbraw/zinc/29/52/51/180295251.db2.gz LOZPQMVZULFXAP-UHFFFAOYSA-N 1 0 274.368 2.008 10 0 CEAERO C[C@H]1CCCN(C(=O)N2CCCCCC2)[C@H]1C[NH3+] ZINC000091971661 180295450 /nfs/dbraw/zinc/29/54/50/180295450.db2.gz SQILUBUBGCEIOA-STQMWFEESA-N 1 0 253.390 2.042 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@@H]1NC(=O)N1CCCCCC1 ZINC000091971621 180295527 /nfs/dbraw/zinc/29/55/27/180295527.db2.gz IFTVDRQELTUVOC-OLZOCXBDSA-N 1 0 253.390 2.232 10 0 CEAERO CCC[NH2+]C1CCC(N(C)C(=O)N(C)CC)CC1 ZINC000091972080 180295601 /nfs/dbraw/zinc/29/56/01/180295601.db2.gz DMMQVJQWQLBJHZ-UHFFFAOYSA-N 1 0 255.406 2.301 10 0 CEAERO CN(C(=O)N1CCCCCC1)[C@H]1CCC[C@@H]1C[NH3+] ZINC000091971702 180295704 /nfs/dbraw/zinc/29/57/04/180295704.db2.gz RZNKMTFDICXSSH-OLZOCXBDSA-N 1 0 253.390 2.042 10 0 CEAERO CC1CCC(NC(=O)N2CCCCCC2)(C(N)=[NH2+])CC1 ZINC000091972010 180295753 /nfs/dbraw/zinc/29/57/53/180295753.db2.gz FZHCJDIBQINJTE-UHFFFAOYSA-N 1 0 280.416 2.457 10 0 CEAERO CC(C)CN(CCC[NH3+])C(=O)N1CCC[C@@H](C)C1 ZINC000091972726 180295934 /nfs/dbraw/zinc/29/59/34/180295934.db2.gz WWURGNFWKRVRMW-CYBMUJFWSA-N 1 0 255.406 2.145 10 0 CEAERO C[C@H]([NH3+])c1csc(NC(=O)N2CCC(C)CC2)n1 ZINC000091973019 180296698 /nfs/dbraw/zinc/29/66/98/180296698.db2.gz DPZQQHCFBWYWCS-VIFPVBQESA-N 1 0 268.386 2.427 10 0 CEAERO CC[C@@H]1CN(C(=O)N2CCC[C@H](C)C2)[C@@H](CC)C[NH2+]1 ZINC000091991353 180299891 /nfs/dbraw/zinc/29/98/91/180299891.db2.gz VKZHQRWHZKTWCY-MJBXVCDLSA-N 1 0 267.417 2.301 10 0 CEAERO CC[NH2+]Cc1nc(C)ccc1OC[C@@H]1CCCCO1 ZINC000091994616 180301173 /nfs/dbraw/zinc/30/11/73/180301173.db2.gz BLUGJCJOOKMYOR-ZDUSSCGKSA-N 1 0 264.369 2.447 10 0 CEAERO Cc1ccc(O[C@H](C)C(=O)N(C)C)c(C[NH2+]C(C)(C)C)n1 ZINC000091996185 180302065 /nfs/dbraw/zinc/30/20/65/180302065.db2.gz FPFDMLVBKYABRT-GFCCVEGCSA-N 1 0 293.411 2.134 10 0 CEAERO CCC[NH2+]Cc1nc(C)ccc1OC[C@@H](O)COC(C)C ZINC000091995239 180302349 /nfs/dbraw/zinc/30/23/49/180302349.db2.gz INTZCLBCYRPCKM-AWEZNQCLSA-N 1 0 296.411 2.054 10 0 CEAERO CC(=O)c1cnc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC000092004584 180305864 /nfs/dbraw/zinc/30/58/64/180305864.db2.gz ALKRTMWPGTWKEU-MNOVXSKESA-N 1 0 265.382 2.019 10 0 CEAERO Cc1cnc(Cl)nc1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092023764 180308788 /nfs/dbraw/zinc/30/87/88/180308788.db2.gz FRNABIOJXRPKGK-MNOVXSKESA-N 1 0 266.776 2.111 10 0 CEAERO CNC(=O)[C@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1cccc(C)c1 ZINC000092098266 180324453 /nfs/dbraw/zinc/32/44/53/180324453.db2.gz CWIGLMUASREPNQ-OAHLLOKOSA-N 1 0 298.390 2.096 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)N(C)[C@H](C)c1ccc(C)s1 ZINC000092134722 180332499 /nfs/dbraw/zinc/33/24/99/180332499.db2.gz DKTVMOFVYDMPAQ-GXSJLCMTSA-N 1 0 254.399 2.431 10 0 CEAERO C[NH2+][C@@H]1CCCC[C@H]1c1nc(C(C)(C)OC)no1 ZINC000092141288 180333625 /nfs/dbraw/zinc/33/36/25/180333625.db2.gz XFXTWWYWKYFIQO-NXEZZACHSA-N 1 0 253.346 2.197 10 0 CEAERO C[NH2+][C@@H](C)[C@@H](c1nc(C(C)(C)OC)no1)C(C)C ZINC000092141584 180334310 /nfs/dbraw/zinc/33/43/10/180334310.db2.gz REFHRYIRPADGBQ-UWVGGRQHSA-N 1 0 255.362 2.299 10 0 CEAERO C[C@H]1C[NH+](CCC(=O)Nc2ccc(F)cc2N)C[C@@H]1C ZINC000092080705 180318222 /nfs/dbraw/zinc/31/82/22/180318222.db2.gz UBJYREARRIFDIP-QWRGUYRKSA-N 1 0 279.359 2.324 10 0 CEAERO C[C@@H]([NH3+])c1cccc(SC[C@@H]2CN(C)CCO2)c1 ZINC000092080086 180318430 /nfs/dbraw/zinc/31/84/30/180318430.db2.gz VIYDFLDUBJJZJF-YPMHNXCESA-N 1 0 266.410 2.129 10 0 CEAERO COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)[C@H](C)C2)c(N)c1 ZINC000092081637 180319821 /nfs/dbraw/zinc/31/98/21/180319821.db2.gz DWNYJBPMOQBPLU-TUAOUCFPSA-N 1 0 291.395 2.192 10 0 CEAERO Cc1cc(N)ccc1NC(=O)[C@@H](C)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000092080831 180319854 /nfs/dbraw/zinc/31/98/54/180319854.db2.gz NGGKFRIKJWWMSQ-FRRDWIJNSA-N 1 0 275.396 2.492 10 0 CEAERO Cc1ccc(N)cc1NC(=O)C[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000092081454 180319904 /nfs/dbraw/zinc/31/99/04/180319904.db2.gz QDQJHPJBLKTELR-RYUDHWBXSA-N 1 0 261.369 2.104 10 0 CEAERO Cc1nn(C)c(N2C[C@H](C)[C@@H](C)C2)c1C[NH2+]C(C)C ZINC000092086462 180320476 /nfs/dbraw/zinc/32/04/76/180320476.db2.gz RKZGDPSRNLTYFJ-RYUDHWBXSA-N 1 0 264.417 2.319 10 0 CEAERO COc1ccc(C[NH+]2C[C@H](C)[C@@H](C)C2)cc1C(N)=S ZINC000092085521 180320824 /nfs/dbraw/zinc/32/08/24/180320824.db2.gz PBDLQWYZANHHKY-QWRGUYRKSA-N 1 0 278.421 2.417 10 0 CEAERO C[C@@H]1CN([C@@H](C[NH3+])c2cnn(-c3ccccc3)c2)C[C@H]1C ZINC000092083405 180320830 /nfs/dbraw/zinc/32/08/30/180320830.db2.gz MGCGJBXZOJYSLL-CPUCHLNUSA-N 1 0 284.407 2.460 10 0 CEAERO C[C@H]1C[N@H+](Cc2nc3sccc3c(N)n2)C[C@H]1C ZINC000092087948 180320943 /nfs/dbraw/zinc/32/09/43/180320943.db2.gz SGNODXLHOLQVDI-DTORHVGOSA-N 1 0 262.382 2.361 10 0 CEAERO CCN[C@](C)(CCCC[N@@H+]1C[C@H](C)[C@H](C)C1)C(=O)OC ZINC000092087740 180321166 /nfs/dbraw/zinc/32/11/66/180321166.db2.gz AXEDIBTZMLBRHA-IJEWVQPXSA-N 1 0 284.444 2.286 10 0 CEAERO CCN[C@@](CO)(C[N@@H+]1C[C@H](C)[C@H](C)C1)c1ccccc1 ZINC000092090274 180322045 /nfs/dbraw/zinc/32/20/45/180322045.db2.gz RBTDBGFAFANKGY-HLLBOEOZSA-N 1 0 276.424 2.072 10 0 CEAERO CCCN[C@](CO)(C[N@@H+]1C[C@H](C)[C@H](C)C1)c1ccccc1 ZINC000092090253 180322145 /nfs/dbraw/zinc/32/21/45/180322145.db2.gz SESGRMMFRUOUQF-JZXOWHBKSA-N 1 0 290.451 2.462 10 0 CEAERO CCCC1(C(=O)N2C[C@@H](C)[C@H](C)C2)CC[NH2+]CC1 ZINC000092090522 180322396 /nfs/dbraw/zinc/32/23/96/180322396.db2.gz YSJQMNAHRYBFCP-CHWSQXEVSA-N 1 0 252.402 2.271 10 0 CEAERO CNC(=O)[C@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000092096571 180323858 /nfs/dbraw/zinc/32/38/58/180323858.db2.gz HWDNOYXLGTUSAA-OAHLLOKOSA-N 1 0 298.390 2.096 10 0 CEAERO Cc1ccc(Cl)cc1NC(=O)[C@@H]1C=C[C@H]([NH3+])C1 ZINC000092201709 180342741 /nfs/dbraw/zinc/34/27/41/180342741.db2.gz LTFKENRNZPMMRK-KOLCDFICSA-N 1 0 250.729 2.490 10 0 CEAERO Cc1cc([C@H](C)NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)c(C)s1 ZINC000092202227 180342767 /nfs/dbraw/zinc/34/27/67/180342767.db2.gz QNVPSRKJFCAZFS-ZMLRMANQSA-N 1 0 264.394 2.446 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000092201795 180342897 /nfs/dbraw/zinc/34/28/97/180342897.db2.gz HAGLICGKRMVHBE-HTQZYQBOSA-N 1 0 254.692 2.321 10 0 CEAERO Cc1cc(Cl)ccc1NC(=O)[C@H]1C=C[C@H]([NH3+])C1 ZINC000092201716 180342950 /nfs/dbraw/zinc/34/29/50/180342950.db2.gz UINSHPQXTGZREW-ONGXEEELSA-N 1 0 250.729 2.490 10 0 CEAERO COc1ccc(Cl)cc1NC(=O)[C@H]1C=C[C@H]([NH3+])C1 ZINC000092201401 180343032 /nfs/dbraw/zinc/34/30/32/180343032.db2.gz SKLXCNRAJGKKFR-WPRPVWTQSA-N 1 0 266.728 2.191 10 0 CEAERO CCOc1ccc(OCC)c(NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)c1 ZINC000092201263 180343040 /nfs/dbraw/zinc/34/30/40/180343040.db2.gz OPHDJNPVYDOAPE-VXGBXAGGSA-N 1 0 290.363 2.326 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000092203655 180343366 /nfs/dbraw/zinc/34/33/66/180343366.db2.gz DTVMYPWRBVATCJ-UKKRHICBSA-N 1 0 276.302 2.127 10 0 CEAERO Cc1cc(N2CCCC2)ccc1NC(=O)[C@H]1C=C[C@H]([NH3+])C1 ZINC000092202658 180343379 /nfs/dbraw/zinc/34/33/79/180343379.db2.gz YJPCGSYRFMZIGT-KBPBESRZSA-N 1 0 285.391 2.437 10 0 CEAERO CCOc1ccc([C@H](C)NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)cc1 ZINC000092203878 180343614 /nfs/dbraw/zinc/34/36/14/180343614.db2.gz NXURCRLOLMUQEZ-FPMFFAJLSA-N 1 0 274.364 2.166 10 0 CEAERO Cc1ccc(CN(C)C(=O)[C@@H]2C=C[C@H]([NH3+])C2)c(C)c1 ZINC000092204820 180343649 /nfs/dbraw/zinc/34/36/49/180343649.db2.gz UZENFKHCLRIARG-HIFRSBDPSA-N 1 0 258.365 2.165 10 0 CEAERO CN(C)c1ccc(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)cc1Cl ZINC000092204258 180343684 /nfs/dbraw/zinc/34/36/84/180343684.db2.gz NECWFJCCVXMTHJ-ZJUUUORDSA-N 1 0 279.771 2.248 10 0 CEAERO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092204740 180343706 /nfs/dbraw/zinc/34/37/06/180343706.db2.gz PHFBSQZSYAGKOP-YUSALJHKSA-N 1 0 280.318 2.388 10 0 CEAERO CN(Cc1cccc(Cl)c1)C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092204434 180343749 /nfs/dbraw/zinc/34/37/49/180343749.db2.gz WWEWRIQNQNUXFO-DGCLKSJQSA-N 1 0 264.756 2.202 10 0 CEAERO CCC(=O)Nc1cccc(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)c1C ZINC000092203805 180343834 /nfs/dbraw/zinc/34/38/34/180343834.db2.gz MXBKLFVPPNEJKP-NWDGAFQWSA-N 1 0 287.363 2.185 10 0 CEAERO COc1ccc(Cl)c(NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)c1 ZINC000092207030 180344331 /nfs/dbraw/zinc/34/43/31/180344331.db2.gz DYKSPUORQLFXDI-RKDXNWHRSA-N 1 0 266.728 2.191 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)NCCCn2ccc3ccccc32)C1 ZINC000092206498 180344342 /nfs/dbraw/zinc/34/43/42/180344342.db2.gz JCWYUPRJQBFOQQ-CABCVRRESA-N 1 0 283.375 2.051 10 0 CEAERO O=C(N[C@H]1CCCC[NH2+]C1)[C@H]1CSc2ccccc21 ZINC000092239518 180351059 /nfs/dbraw/zinc/35/10/59/180351059.db2.gz JYLGGVPDPNLWRA-AAEUAGOBSA-N 1 0 276.405 2.134 10 0 CEAERO Cn1ccnc1CC[NH2+]C[C@@H]1Cc2ccccc2S1 ZINC000092243737 180351340 /nfs/dbraw/zinc/35/13/40/180351340.db2.gz MFQZWQJLGYTTCT-ZDUSSCGKSA-N 1 0 273.405 2.269 10 0 CEAERO CC[NH2+]Cc1cnn(C[C@@H]2COc3ccccc32)c1C ZINC000092306676 180360818 /nfs/dbraw/zinc/36/08/18/180360818.db2.gz SWRFOOJQPQLNGU-CQSZACIVSA-N 1 0 271.364 2.477 10 0 CEAERO C[N@H+](CCC(N)=S)C[C@@H]1CSc2ccccc21 ZINC000092275939 180356745 /nfs/dbraw/zinc/35/67/45/180356745.db2.gz BMTLOULGUKEANY-SNVBAGLBSA-N 1 0 266.435 2.484 10 0 CEAERO [NH3+]CCc1nccn1C[C@H]1CSc2ccccc21 ZINC000092293053 180357826 /nfs/dbraw/zinc/35/78/26/180357826.db2.gz ZAEUYOZMRHJCLA-NSHDSACASA-N 1 0 259.378 2.274 10 0 CEAERO [NH3+]CCc1nccn1C[C@@H]1CSc2ccccc21 ZINC000092293049 180357908 /nfs/dbraw/zinc/35/79/08/180357908.db2.gz ZAEUYOZMRHJCLA-LLVKDONJSA-N 1 0 259.378 2.274 10 0 CEAERO [NH3+]CCc1cnn(C[C@H]2CSc3ccccc32)c1 ZINC000092294704 180358321 /nfs/dbraw/zinc/35/83/21/180358321.db2.gz VTQAUGUKNUIQJR-LBPRGKRZSA-N 1 0 259.378 2.274 10 0 CEAERO OC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1COc2ccccc21 ZINC000092300935 180358356 /nfs/dbraw/zinc/35/83/56/180358356.db2.gz CUKNTZPMRJRVGL-HZPDHXFCSA-N 1 0 283.371 2.356 10 0 CEAERO c1cn(CCCC[NH2+]C[C@H]2COc3ccccc32)cn1 ZINC000092300528 180358800 /nfs/dbraw/zinc/35/88/00/180358800.db2.gz BSCZMJNMDCYNNA-AWEZNQCLSA-N 1 0 271.364 2.429 10 0 CEAERO CC(C)[C@@H]1CN(C[C@@H]2COc3ccccc32)CC[NH2+]1 ZINC000092307221 180360536 /nfs/dbraw/zinc/36/05/36/180360536.db2.gz BDDAECQSUCONKY-HIFRSBDPSA-N 1 0 260.381 2.092 10 0 CEAERO Fc1ccc(F)c(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000105884177 186082615 /nfs/dbraw/zinc/08/26/15/186082615.db2.gz ROEBOSCAXRBYLV-GFCCVEGCSA-N 1 0 292.333 2.469 10 0 CEAERO COc1ccc(-c2noc([C@@H]3C=C[C@@H]([NH3+])C3)n2)cc1 ZINC000092181390 180338289 /nfs/dbraw/zinc/33/82/89/180338289.db2.gz GZQCEACWYJNICQ-GHMZBOCLSA-N 1 0 257.293 2.116 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000092181099 180338358 /nfs/dbraw/zinc/33/83/58/180338358.db2.gz QWIWLOQUDSQVNS-VXNVDRBHSA-N 1 0 268.242 2.119 10 0 CEAERO CC(C)CSCc1noc([C@H]2C=C[C@@H]([NH3+])C2)n1 ZINC000092181988 180338913 /nfs/dbraw/zinc/33/89/13/180338913.db2.gz AYQNLGCRNLBMAV-VHSXEESVSA-N 1 0 253.371 2.330 10 0 CEAERO CN(c1cccnn1)C1CC[NH+](C/C=C/Cl)CC1 ZINC000105910544 186089051 /nfs/dbraw/zinc/08/90/51/186089051.db2.gz AIOWWRLUTRFBAP-XVNBXDOJSA-N 1 0 266.776 2.130 10 0 CEAERO CCc1nn(-c2nc3ccccc3[nH]2)c(CC)c1C[NH3+] ZINC000092320193 180361635 /nfs/dbraw/zinc/36/16/35/180361635.db2.gz BYPCDYZRIJDQCJ-UHFFFAOYSA-N 1 0 269.352 2.332 10 0 CEAERO C[NH2+]C[C@H](C)c1c(C)nn(-c2nc(C)cc(C)n2)c1C ZINC000092320479 180361676 /nfs/dbraw/zinc/36/16/76/180361676.db2.gz DEOGJDVBKYCUJW-VIFPVBQESA-N 1 0 273.384 2.219 10 0 CEAERO CCc1nc(Cc2ccccn2)nc(CC)c1CC[NH2+]C ZINC000092318482 180361745 /nfs/dbraw/zinc/36/17/45/180361745.db2.gz XDEFRWIUCJPKDR-UHFFFAOYSA-N 1 0 284.407 2.349 10 0 CEAERO Cc1nn(-c2ccccn2)c(C)c1CC[NH2+]C(C)C ZINC000092320719 180361750 /nfs/dbraw/zinc/36/17/50/180361750.db2.gz ZPODIHNXNKOSIN-UHFFFAOYSA-N 1 0 258.369 2.425 10 0 CEAERO CCn1cnnc1C1CC[NH+](Cc2cccnc2)CC1 ZINC000105928527 186092025 /nfs/dbraw/zinc/09/20/25/186092025.db2.gz DEEMAEQGBMFKCO-UHFFFAOYSA-N 1 0 271.368 2.073 10 0 CEAERO CCn1cnnc1C1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000105929423 186092690 /nfs/dbraw/zinc/09/26/90/186092690.db2.gz ZNDMDBCZNQGKCO-UHFFFAOYSA-N 1 0 289.383 2.282 10 0 CEAERO Cc1nn(-c2ncccn2)c(C)c1C[C@@H](C)C[NH2+]C(C)C ZINC000092321529 180362535 /nfs/dbraw/zinc/36/25/35/180362535.db2.gz VMEJXVLXYXOIQG-GFCCVEGCSA-N 1 0 287.411 2.456 10 0 CEAERO CC[C@]1(C)C[C@@H]([NH2+]Cc2c(C)nn(C)c2C)CCO1 ZINC000092325801 180363138 /nfs/dbraw/zinc/36/31/38/180363138.db2.gz GASOYCKLDJPNAI-DZGCQCFKSA-N 1 0 265.401 2.474 10 0 CEAERO CC[C@]1(C(=O)N[C@@H](C)c2c(C)noc2C)CCC[NH2+]C1 ZINC000092329481 180363484 /nfs/dbraw/zinc/36/34/84/180363484.db2.gz WTGFUULDKVDRPH-BONVTDFDSA-N 1 0 279.384 2.248 10 0 CEAERO Cc1cc(N[C@@H]2C=CS(=O)(=O)C2)c2ccccc2[nH+]1 ZINC000106066185 186100147 /nfs/dbraw/zinc/10/01/47/186100147.db2.gz TYGOQUWBTCJGKC-LLVKDONJSA-N 1 0 274.345 2.266 10 0 CEAERO CC[NH2+]C[C@@H]1CCN([C@@H](C)c2c(C)noc2C)C1 ZINC000092339869 180365300 /nfs/dbraw/zinc/36/53/00/180365300.db2.gz IXHPPYHSNGYHNR-AAEUAGOBSA-N 1 0 251.374 2.284 10 0 CEAERO Cc1noc(C)c1[C@H](C)N1C[C@H](C2CC2)[NH2+]C[C@@H]1C ZINC000092342589 180365846 /nfs/dbraw/zinc/36/58/46/180365846.db2.gz XQZOOSJBKLHJEO-NURSFMCSSA-N 1 0 263.385 2.425 10 0 CEAERO C[C@@H](NC(=O)[C@H](Cc1ccccc1)[NH+](C)C)c1ccccn1 ZINC000106426275 186116838 /nfs/dbraw/zinc/11/68/38/186116838.db2.gz FIVFNILWBABZDY-PBHICJAKSA-N 1 0 297.402 2.432 10 0 CEAERO Cc1noc(C)c1CN1CC[NH2+][C@H](C(C)(C)C)C1 ZINC000092342659 180366417 /nfs/dbraw/zinc/36/64/17/180366417.db2.gz VLZQUZVRHVFJGB-ZDUSSCGKSA-N 1 0 251.374 2.111 10 0 CEAERO Cc1cc(C[NH2+]CCc2nncn2C)c2ccccc2n1 ZINC000092345768 180366488 /nfs/dbraw/zinc/36/64/88/180366488.db2.gz OYHVMBNFLRORTG-UHFFFAOYSA-N 1 0 281.363 2.004 10 0 CEAERO Cc1cc(NS(=O)(=O)c2ccc(N)cc2C)cc[nH+]1 ZINC000092348688 180367381 /nfs/dbraw/zinc/36/73/81/180367381.db2.gz KDFVLWZGEXRRJT-UHFFFAOYSA-N 1 0 277.349 2.081 10 0 CEAERO Cc1cc(NS(=O)(=O)c2cccc([C@@H](C)O)c2)cc[nH+]1 ZINC000092365802 180368980 /nfs/dbraw/zinc/36/89/80/180368980.db2.gz PUGWTFBIXVVMAQ-LLVKDONJSA-N 1 0 292.360 2.244 10 0 CEAERO COc1ccc2c(c1)[C@@H](N1CCC[NH2+]CC1)CCC2 ZINC000092387138 180374438 /nfs/dbraw/zinc/37/44/38/180374438.db2.gz KMCMGDRCRNLZGX-INIZCTEOSA-N 1 0 260.381 2.368 10 0 CEAERO CC(C)[C@@H](CO)[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000092392397 180376244 /nfs/dbraw/zinc/37/62/44/180376244.db2.gz MJTDEJIECJVLDA-LLVKDONJSA-N 1 0 265.382 2.245 10 0 CEAERO Cc1nn(C)c(C)c1CNC1=[NH+][C@@H](C(C)C)CS1 ZINC000092402869 180377998 /nfs/dbraw/zinc/37/79/98/180377998.db2.gz BYUDDGAOIPBWDZ-GFCCVEGCSA-N 1 0 266.414 2.254 10 0 CEAERO Cc1cccc(CN2CCCC[C@H]2C[NH2+]C2CC2)n1 ZINC000092430027 180384058 /nfs/dbraw/zinc/38/40/58/180384058.db2.gz BXEDTWOEMMBOEW-INIZCTEOSA-N 1 0 259.397 2.497 10 0 CEAERO COCC[N@H+](Cc1cc(Cl)ccn1)[C@@H](C)COC ZINC000092416478 180381008 /nfs/dbraw/zinc/38/10/08/180381008.db2.gz ZWOOMYICDGHTBD-NSHDSACASA-N 1 0 272.776 2.218 10 0 CEAERO C[C@H]([NH3+])[C@H]1CCCN(Cc2cc(Cl)ccn2)C1 ZINC000092417257 180381082 /nfs/dbraw/zinc/38/10/82/180381082.db2.gz ZAWDPYYPCKWSHD-QWRGUYRKSA-N 1 0 253.777 2.294 10 0 CEAERO CCCNc1cc[nH+]c(CN2CCC[C@@H]2C(=O)OC)c1 ZINC000092418258 180381422 /nfs/dbraw/zinc/38/14/22/180381422.db2.gz MGYLVXHVNJYFSH-CQSZACIVSA-N 1 0 277.368 2.041 10 0 CEAERO CCOC(=O)[C@H]1CCCCN1Cc1cc(NC)cc[nH+]1 ZINC000092418251 180381554 /nfs/dbraw/zinc/38/15/54/180381554.db2.gz ABTGUUFADWURRP-CQSZACIVSA-N 1 0 277.368 2.041 10 0 CEAERO CCOC(=O)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000106779554 186135882 /nfs/dbraw/zinc/13/58/82/186135882.db2.gz PURNUKCEZLEJMA-UHFFFAOYSA-N 1 0 263.337 2.338 10 0 CEAERO C[NH2+][C@@H]1c2cc(OC)ccc2CC[C@H]1OCCCOC ZINC000092386726 180373518 /nfs/dbraw/zinc/37/35/18/180373518.db2.gz BZQNLPVVUBXPQP-HZPDHXFCSA-N 1 0 279.380 2.324 10 0 CEAERO C[NH2+][C@H]1c2cc(OC)ccc2CC[C@@H]1N(C)C1CC1 ZINC000092385367 180373647 /nfs/dbraw/zinc/37/36/47/180373647.db2.gz KBEJXTAYTMNHCO-HOTGVXAUSA-N 1 0 260.381 2.365 10 0 CEAERO C[NH2+][C@@H]1c2cc(OC)ccc2CC[C@H]1n1nc(C)nc1C ZINC000092386150 180373904 /nfs/dbraw/zinc/37/39/04/180373904.db2.gz PTUAGONYMLHAIR-HZPDHXFCSA-N 1 0 286.379 2.352 10 0 CEAERO CC(C)[C@H]([NH2+]Cc1cccc(Br)c1)C(N)=O ZINC000107322896 186170066 /nfs/dbraw/zinc/17/00/66/186170066.db2.gz NDNBQIBMMFXKMB-NSHDSACASA-N 1 0 285.185 2.049 10 0 CEAERO Cc1csc([C@@H](C)[NH2+]CCNCC(F)(F)F)n1 ZINC000092435279 180385093 /nfs/dbraw/zinc/38/50/93/180385093.db2.gz MCRCPPPSMQRIET-MRVPVSSYSA-N 1 0 267.320 2.254 10 0 CEAERO C[C@H]1C[C@H]([NH3+])Cn2cc(-c3ccc4c(c3)OCO4)nc21 ZINC000107827782 186194483 /nfs/dbraw/zinc/19/44/83/186194483.db2.gz GMUYDFTUVYCKDC-ONGXEEELSA-N 1 0 271.320 2.113 10 0 CEAERO CC(C)(C[NH2+][C@@H](c1ccccc1)C1CC1)NS(C)(=O)=O ZINC000109040859 186241386 /nfs/dbraw/zinc/24/13/86/186241386.db2.gz IKJVWHUXZYZBQZ-AWEZNQCLSA-N 1 0 296.436 2.055 10 0 CEAERO C[NH+]1CCC(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000109081779 186242343 /nfs/dbraw/zinc/24/23/43/186242343.db2.gz JQWDKRBOLVVEGB-OLZOCXBDSA-N 1 0 294.345 2.279 10 0 CEAERO C[NH2+][C@H]1CCCC[C@@H]1c1nc(-c2ccncc2)no1 ZINC000109498450 186256409 /nfs/dbraw/zinc/25/64/09/186256409.db2.gz YIWMBLCGRKAWKZ-RYUDHWBXSA-N 1 0 258.325 2.377 10 0 CEAERO CC[NH+](CC)C[C@@H](C)Nc1cc(C(=O)N(C)C)ccc1N ZINC000109537971 186260559 /nfs/dbraw/zinc/26/05/59/186260559.db2.gz AQSYKBIFFXUVSO-GFCCVEGCSA-N 1 0 292.427 2.113 10 0 CEAERO c1ccc(C[C@H]2CSC(N[C@@H]3CCCOC3)=[NH+]2)cc1 ZINC000109548877 186261809 /nfs/dbraw/zinc/26/18/09/186261809.db2.gz MCZWEECRIFYCSV-KGLIPLIRSA-N 1 0 276.405 2.469 10 0 CEAERO C[C@@H]([NH3+])c1c(F)cccc1N(C)C[C@H]1CCCO1 ZINC000109568685 186263628 /nfs/dbraw/zinc/26/36/28/186263628.db2.gz ICMXCICMQASPRV-GHMZBOCLSA-N 1 0 252.333 2.461 10 0 CEAERO C[NH2+]Cc1cc(N(C)[C@H](C)COC)c2ccccc2n1 ZINC000109588744 186263963 /nfs/dbraw/zinc/26/39/63/186263963.db2.gz DPTPTRLLZFOZHF-GFCCVEGCSA-N 1 0 273.380 2.425 10 0 CEAERO C[C@@H](O)c1c(F)cccc1N1CC[C@@H]([NH+](C)C)C1 ZINC000109584749 186264112 /nfs/dbraw/zinc/26/41/12/186264112.db2.gz OWYBJXFMDKKMSX-GHMZBOCLSA-N 1 0 252.333 2.019 10 0 CEAERO COC(=O)c1ccccc1N(C)[C@@H](CC[NH3+])C(F)(F)F ZINC000109603893 186267913 /nfs/dbraw/zinc/26/79/13/186267913.db2.gz WDZFUARSIUGTSW-NSHDSACASA-N 1 0 290.285 2.189 10 0 CEAERO CC[C@H](CC[NH3+])N(C)c1ccccc1C(=O)OC ZINC000109684803 186268442 /nfs/dbraw/zinc/26/84/42/186268442.db2.gz NKYHHYCLWFEJHT-LLVKDONJSA-N 1 0 250.342 2.037 10 0 CEAERO CC[C@H]([NH2+]CCc1nncn1C)c1ccc(C)cc1 ZINC000109421314 186251686 /nfs/dbraw/zinc/25/16/86/186251686.db2.gz BLDKKAQTNLQOCI-AWEZNQCLSA-N 1 0 258.369 2.407 10 0 CEAERO CC[NH+]1CCC(N(C)Cc2c(N)cccc2F)CC1 ZINC000109427652 186251838 /nfs/dbraw/zinc/25/18/38/186251838.db2.gz ZKCZBNNWISRDSX-UHFFFAOYSA-N 1 0 265.376 2.324 10 0 CEAERO COc1ccc([C@@H]([NH2+]CCc2nncn2C)C2CC2)cc1 ZINC000109422402 186252099 /nfs/dbraw/zinc/25/20/99/186252099.db2.gz VAGLEAGQIOYPIC-INIZCTEOSA-N 1 0 286.379 2.107 10 0 CEAERO Cc1cc(C(C)(C)C)nc([C@@H](C)N2CC[NH2+]CC2)n1 ZINC000109475770 186254758 /nfs/dbraw/zinc/25/47/58/186254758.db2.gz NNLCIAKIJGBJEW-GFCCVEGCSA-N 1 0 262.401 2.049 10 0 CEAERO CC[C@@H](c1nccc(-c2ccccc2)n1)N1CC[NH2+]CC1 ZINC000109475939 186254867 /nfs/dbraw/zinc/25/48/67/186254867.db2.gz AMAZWYNEKLGSRS-INIZCTEOSA-N 1 0 282.391 2.500 10 0 CEAERO O=c1cc(-c2cccs2)nc([C@@H]2CCCC[NH2+]2)[nH]1 ZINC000110465966 186297483 /nfs/dbraw/zinc/29/74/83/186297483.db2.gz PHMQAXIJPMQGMM-VIFPVBQESA-N 1 0 261.350 2.313 10 0 CEAERO CCC[NH2+][C@@H](CC)[C@@H](C)c1nc(CCOC)no1 ZINC000110470530 186298146 /nfs/dbraw/zinc/29/81/46/186298146.db2.gz MNDCQAQZPQYEIT-MNOVXSKESA-N 1 0 255.362 2.140 10 0 CEAERO CC[C@H]([NH2+]C)[C@@H](C)c1nc(CC(F)(F)F)no1 ZINC000110470542 186298372 /nfs/dbraw/zinc/29/83/72/186298372.db2.gz SFEZYRCXBAGIKC-RQJHMYQMSA-N 1 0 251.252 2.276 10 0 CEAERO CC[C@H]([NH3+])[C@H](O[C@@H]1CCOC1)c1ccccc1F ZINC000110525788 186300785 /nfs/dbraw/zinc/30/07/85/186300785.db2.gz YLDQTRIZGTXKBS-DDTOSNHZSA-N 1 0 253.317 2.410 10 0 CEAERO CCC[NH2+][C@H](Cc1nc(C)cs1)[C@@H]1CCOC1 ZINC000110533889 186302124 /nfs/dbraw/zinc/30/21/24/186302124.db2.gz UDQXMSBOKAXCDS-VXGBXAGGSA-N 1 0 254.399 2.399 10 0 CEAERO C[C@H]([NH2+]CCN(C)C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000110550904 186303217 /nfs/dbraw/zinc/30/32/17/186303217.db2.gz RMLIKVCSPZROHA-KBPBESRZSA-N 1 0 299.459 2.173 10 0 CEAERO COc1ccc(NC(=O)Cc2ccc(C[NH3+])cc2)cc1F ZINC000110612066 186304849 /nfs/dbraw/zinc/30/48/49/186304849.db2.gz HTLLZNIYEAPDKD-UHFFFAOYSA-N 1 0 288.322 2.474 10 0 CEAERO COc1ccccc1NC(=O)Cc1ccc(C[NH3+])cc1 ZINC000110611836 186305937 /nfs/dbraw/zinc/30/59/37/186305937.db2.gz CHBNVCYAZLKKEF-UHFFFAOYSA-N 1 0 270.332 2.335 10 0 CEAERO COc1cc2c(cc1F)[nH]c(=S)n2C[C@@H](C)[NH+](C)C ZINC000110628942 186306581 /nfs/dbraw/zinc/30/65/81/186306581.db2.gz NPSDKKHHDIFBDH-MRVPVSSYSA-N 1 0 283.372 2.423 10 0 CEAERO COc1cc(NC[C@H]2CCC[N@H+](C)C2)c(N)cc1F ZINC000110627394 186307057 /nfs/dbraw/zinc/30/70/57/186307057.db2.gz SUDDJQCRGIPGOR-SNVBAGLBSA-N 1 0 267.348 2.170 10 0 CEAERO COc1cc2c(cc1F)[nH+]c(N)n2CCc1ccccn1 ZINC000110629245 186307660 /nfs/dbraw/zinc/30/76/60/186307660.db2.gz MMJJITWEDXQXIK-UHFFFAOYSA-N 1 0 286.310 2.404 10 0 CEAERO C[C@@H]1CCCN(C(=O)[C@H](C[NH3+])Cc2ccccc2)CC1 ZINC000110808164 186326660 /nfs/dbraw/zinc/32/66/60/186326660.db2.gz GEVYNJZAFYCTPP-ZBFHGGJFSA-N 1 0 274.408 2.453 10 0 CEAERO CCN[C@](C)(C[N@H+](C)CC1CCCC1)C(=O)OCC ZINC000110840931 186328751 /nfs/dbraw/zinc/32/87/51/186328751.db2.gz LSJFMEOOYTWJCG-OAHLLOKOSA-N 1 0 270.417 2.040 10 0 CEAERO C[N@H+](CCC[C@@](C)([NH2+]C1CC1)C(=O)[O-])CC1CCCC1 ZINC000110840871 186328899 /nfs/dbraw/zinc/32/88/99/186328899.db2.gz DXCMTDWYKBTRIJ-MRXNPFEDSA-N 1 0 282.428 2.484 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1cnccn1)c1ccncc1 ZINC000110912615 186332744 /nfs/dbraw/zinc/33/27/44/186332744.db2.gz BADKQZCPNVJDFT-YPMHNXCESA-N 1 0 260.366 2.442 10 0 CEAERO CC(C)c1ccccc1NC(=O)CN(C)[C@H]1CCC[NH2+]C1 ZINC000110929296 186333131 /nfs/dbraw/zinc/33/31/31/186333131.db2.gz HLUWHRRTNNUUIM-AWEZNQCLSA-N 1 0 289.423 2.432 10 0 CEAERO CCCn1cc(Cl)cc1C(=O)N(C)[C@@H]1CCC[NH2+]C1 ZINC000110927133 186333318 /nfs/dbraw/zinc/33/33/18/186333318.db2.gz ZJPTWCNDAYVUEK-GFCCVEGCSA-N 1 0 283.803 2.376 10 0 CEAERO Cc1nnc(N(C)[C@@H]2CCC[NH2+]C2)c2ccccc12 ZINC000110932234 186333418 /nfs/dbraw/zinc/33/34/18/186333418.db2.gz QWMVJYPSZRXPKJ-GFCCVEGCSA-N 1 0 256.353 2.126 10 0 CEAERO CCN(C(=O)c1c[nH]c2ccccc12)[C@@H]1CCC[NH2+]C1 ZINC000110939621 186334655 /nfs/dbraw/zinc/33/46/55/186334655.db2.gz FXTCVYDTXBUDAL-GFCCVEGCSA-N 1 0 271.364 2.382 10 0 CEAERO CCN(Cc1cc(OC)cc(OC)c1)[C@H]1CCC[NH2+]C1 ZINC000110936258 186334926 /nfs/dbraw/zinc/33/49/26/186334926.db2.gz QTHPAMLGQKRPRN-AWEZNQCLSA-N 1 0 278.396 2.278 10 0 CEAERO CCCN(C(=O)[C@@H]1CC=CCC1)[C@@H]1CCC[NH2+]C1 ZINC000110940236 186334956 /nfs/dbraw/zinc/33/49/56/186334956.db2.gz BKZFJLBWMQNYAB-ZIAGYGMSSA-N 1 0 250.386 2.333 10 0 CEAERO CCN(Cc1ccc(OC)c(OC)c1)[C@@H]1CCC[NH2+]C1 ZINC000110936979 186334998 /nfs/dbraw/zinc/33/49/98/186334998.db2.gz PEFCSHFHGDKPMH-CQSZACIVSA-N 1 0 278.396 2.278 10 0 CEAERO CCN(Cc1cccnc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000110945218 186335257 /nfs/dbraw/zinc/33/52/57/186335257.db2.gz GTQVKHHSMFCRMU-GFCCVEGCSA-N 1 0 253.777 2.309 10 0 CEAERO CCCc1cc(-n2c(CC[NH3+])nc3ccccc32)ncn1 ZINC000110949066 186335431 /nfs/dbraw/zinc/33/54/31/186335431.db2.gz VMNVUJALGHYYMW-UHFFFAOYSA-N 1 0 281.363 2.269 10 0 CEAERO CCN(CC(=O)Nc1cc(F)ccc1C)[C@H]1CCC[NH2+]C1 ZINC000110944411 186335700 /nfs/dbraw/zinc/33/57/00/186335700.db2.gz NCAWVQPNRCZDGP-AWEZNQCLSA-N 1 0 293.386 2.147 10 0 CEAERO CCCN(c1cc(C)ccc1C(N)=O)[C@H]1CCC[NH2+]C1 ZINC000110948357 186335720 /nfs/dbraw/zinc/33/57/20/186335720.db2.gz SDYLACUJCKINGK-ZDUSSCGKSA-N 1 0 275.396 2.062 10 0 CEAERO CCN(CC(=O)Nc1cccc(C)c1C)[C@H]1CCC[NH2+]C1 ZINC000110943467 186335851 /nfs/dbraw/zinc/33/58/51/186335851.db2.gz WBXPGFJSFNYHGA-HNNXBMFYSA-N 1 0 289.423 2.316 10 0 CEAERO C[C@@H](C(=O)NC(C)(C)C)n1c(CC[NH3+])nc2ccccc21 ZINC000110948767 186336014 /nfs/dbraw/zinc/33/60/14/186336014.db2.gz MNZYSMNNRLCORI-NSHDSACASA-N 1 0 288.395 2.013 10 0 CEAERO CCCc1cc(NN)[nH+]c(Cc2nc3ccccc3[nH]2)n1 ZINC000110951254 186336131 /nfs/dbraw/zinc/33/61/31/186336131.db2.gz JZPDGWMJDYDORX-UHFFFAOYSA-N 1 0 282.351 2.182 10 0 CEAERO CC[C@H]([NH3+])[C@H](C)c1nc(Cc2nc3ccccc3[nH]2)no1 ZINC000110951442 186336953 /nfs/dbraw/zinc/33/69/53/186336953.db2.gz VZVHWGHAOGYLFA-UWVGGRQHSA-N 1 0 285.351 2.378 10 0 CEAERO CSc1ccccc1OC[C@@H]1CC[C@H](C[NH3+])O1 ZINC000110984741 186339411 /nfs/dbraw/zinc/33/94/11/186339411.db2.gz XENCFTSSWTXPRN-MNOVXSKESA-N 1 0 253.367 2.294 10 0 CEAERO CCN([C@@H](C[NH3+])c1ccc(C)c(F)c1)[C@@H](C)COC ZINC000110977641 186339526 /nfs/dbraw/zinc/33/95/26/186339526.db2.gz KJTPVWLAYUYMKR-WFASDCNBSA-N 1 0 268.376 2.491 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Oc1ccccc1CO)c1ccncc1 ZINC000110992669 186340461 /nfs/dbraw/zinc/34/04/61/186340461.db2.gz PNWRZBJHTPTSOI-HOCLYGCPSA-N 1 0 272.348 2.431 10 0 CEAERO COc1ccccc1[C@@H](C[NH3+])Oc1ccccc1CO ZINC000110992810 186340474 /nfs/dbraw/zinc/34/04/74/186340474.db2.gz DAJXXUDUYVLUQP-MRXNPFEDSA-N 1 0 273.332 2.266 10 0 CEAERO CCNc1ccccc1C(=O)N1CC[N@H+](CC)[C@@H](C)C1 ZINC000110696579 186312721 /nfs/dbraw/zinc/31/27/21/186312721.db2.gz FYGONEKMENDFCN-ZDUSSCGKSA-N 1 0 275.396 2.285 10 0 CEAERO C[C@@H]1CN(Cc2cc(N)ccc2Cl)CC[N@@H+]1C ZINC000110700726 186313796 /nfs/dbraw/zinc/31/37/96/186313796.db2.gz JAYPOOLAWFDQGZ-SNVBAGLBSA-N 1 0 253.777 2.058 10 0 CEAERO CC[N@@H+]1CCN(CCCOc2cccc(N)c2)C[C@@H]1C ZINC000110702329 186314912 /nfs/dbraw/zinc/31/49/12/186314912.db2.gz WGEXJFNDJGUGKG-AWEZNQCLSA-N 1 0 277.412 2.064 10 0 CEAERO Cc1ccc([C@@H](O)C[N@H+]2CCN(C)C(C)(C)C2)c(C)c1 ZINC000110736636 186318529 /nfs/dbraw/zinc/31/85/29/186318529.db2.gz KTCXMKYXHNAZCB-INIZCTEOSA-N 1 0 276.424 2.363 10 0 CEAERO CC[C@H]1CN(CCC(=O)c2cccc(F)c2)CC[N@@H+]1C ZINC000110744031 186318679 /nfs/dbraw/zinc/31/86/79/186318679.db2.gz POWVZYYXULVPNR-HNNXBMFYSA-N 1 0 278.371 2.425 10 0 CEAERO CCOC(=O)c1cc(C)sc1NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000110777656 186324028 /nfs/dbraw/zinc/32/40/28/186324028.db2.gz WIKZLUMIDBPCIL-JTQLQIEISA-N 1 0 296.392 2.314 10 0 CEAERO CCOC(=O)c1cc(C)sc1NC(=O)C[NH2+]CC1CC1 ZINC000110777776 186324741 /nfs/dbraw/zinc/32/47/41/186324741.db2.gz RINGWFABMOKXHE-UHFFFAOYSA-N 1 0 296.392 2.171 10 0 CEAERO COc1cc(N2CC[NH+](C(C)(C)C)CC2)ccc1N ZINC000111051467 186348579 /nfs/dbraw/zinc/34/85/79/186348579.db2.gz FBYBXAKBSHQIPB-UHFFFAOYSA-N 1 0 263.385 2.198 10 0 CEAERO CCOc1cc(OCC[NH+]2CCCC2)ccc1N ZINC000111057848 186348921 /nfs/dbraw/zinc/34/89/21/186348921.db2.gz XZFUWQJVIPGBRY-UHFFFAOYSA-N 1 0 250.342 2.142 10 0 CEAERO C[NH2+][C@@H]1C(=O)Nc2cc(Oc3ccccc3CO)ccc21 ZINC000110993962 186341810 /nfs/dbraw/zinc/34/18/10/186341810.db2.gz VHUWLVSKWZEBMY-HNNXBMFYSA-N 1 0 284.315 2.184 10 0 CEAERO O=C1CC[C@H]([NH2+][C@H](c2ccccc2)c2ccncc2)CN1 ZINC000111017375 186343731 /nfs/dbraw/zinc/34/37/31/186343731.db2.gz XRIGYJFGHYSLLW-DOTOQJQBSA-N 1 0 281.359 2.039 10 0 CEAERO CC(C)(C)OC(=O)N[C@@H](C[NH3+])c1cccc(F)c1F ZINC000111037487 186346663 /nfs/dbraw/zinc/34/66/63/186346663.db2.gz ZMZKBVOCUWQRBC-JTQLQIEISA-N 1 0 272.295 2.489 10 0 CEAERO CCO[C@H]1CCCN([C@@H](C[NH3+])c2cccc(F)c2F)C1 ZINC000111039695 186346824 /nfs/dbraw/zinc/34/68/24/186346824.db2.gz WWQCLPVJCWFXQU-FZMZJTMJSA-N 1 0 284.350 2.466 10 0 CEAERO NC(=[NH2+])c1cc(F)ccc1Oc1cccc(CO)c1 ZINC000111035441 186346832 /nfs/dbraw/zinc/34/68/32/186346832.db2.gz VKTHRRQPJKZNTJ-UHFFFAOYSA-N 1 0 260.268 2.394 10 0 CEAERO CCc1nsc(N[C@H](C[NH3+])C2CCCCC2)n1 ZINC000130866129 366000536 /nfs/dbraw/zinc/00/05/36/366000536.db2.gz WNHCJPGJNDEIKX-SNVBAGLBSA-N 1 0 254.403 2.420 10 0 CEAERO [NH3+]CCc1cccc(C(=O)NC[C@@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000111075810 186350964 /nfs/dbraw/zinc/35/09/64/186350964.db2.gz YSHBLKKDYAJMJR-LZWOXQAQSA-N 1 0 272.392 2.354 10 0 CEAERO CCCOCCO[C@H](C[NH2+]C)c1ccccc1OC ZINC000111107574 186352500 /nfs/dbraw/zinc/35/25/00/186352500.db2.gz SVUASXLZEYUEPF-OAHLLOKOSA-N 1 0 267.369 2.399 10 0 CEAERO CCCOCCOCCCC(=O)Nc1cccc(C[NH3+])c1 ZINC000111106509 186352569 /nfs/dbraw/zinc/35/25/69/186352569.db2.gz MEDQWJCTPPXIEU-UHFFFAOYSA-N 1 0 294.395 2.307 10 0 CEAERO CCCOCCO[C@H](c1cccnc1)[C@H]([NH3+])CC ZINC000111105992 186352854 /nfs/dbraw/zinc/35/28/54/186352854.db2.gz SDHRRAXBPSRCFJ-ZIAGYGMSSA-N 1 0 252.358 2.303 10 0 CEAERO CCC[NH2+][C@H]1c2ccc(OCCOCCC)cc2NC1=O ZINC000111109225 186353522 /nfs/dbraw/zinc/35/35/22/186353522.db2.gz CMOXWDVDFZGUEF-HNNXBMFYSA-N 1 0 292.379 2.485 10 0 CEAERO CCCOCCOC[C@H]1CC[C@H](C[NH2+]C(C)(C)C)O1 ZINC000111111288 186354086 /nfs/dbraw/zinc/35/40/86/186354086.db2.gz AJKRNMHNYRYPCB-ZIAGYGMSSA-N 1 0 273.417 2.365 10 0 CEAERO CCCOCCOc1ccc2c(c1)NC(=O)[C@@H]2[NH2+]CC ZINC000111109320 186354113 /nfs/dbraw/zinc/35/41/13/186354113.db2.gz MQDHICGIXGQFLY-CQSZACIVSA-N 1 0 278.352 2.095 10 0 CEAERO CCOCC[N@H+](CC)Cc1ccc(C(N)=S)cc1 ZINC000111119370 186354454 /nfs/dbraw/zinc/35/44/54/186354454.db2.gz GKWGNCSENQNJPK-UHFFFAOYSA-N 1 0 266.410 2.179 10 0 CEAERO CCOCCN(CC)C[C@H]([NH3+])c1ccccc1OCC ZINC000111118681 186354527 /nfs/dbraw/zinc/35/45/27/186354527.db2.gz FAZUNYNZHXSMPQ-HNNXBMFYSA-N 1 0 280.412 2.444 10 0 CEAERO CCOCCN(CC)[C@H](C[NH3+])c1c(F)cccc1F ZINC000111117537 186354990 /nfs/dbraw/zinc/35/49/90/186354990.db2.gz QQGCOVMHKPWRDG-CYBMUJFWSA-N 1 0 272.339 2.323 10 0 CEAERO CCOCCN(CC)[C@H](C[NH3+])c1ccc(F)cc1F ZINC000111117565 186355399 /nfs/dbraw/zinc/35/53/99/186355399.db2.gz BZLLEORGYZQECC-CQSZACIVSA-N 1 0 272.339 2.323 10 0 CEAERO CCOCCN(CC)C[C@H]([NH3+])c1ccc(OC)cc1OC ZINC000111119115 186355619 /nfs/dbraw/zinc/35/56/19/186355619.db2.gz BTOKVZASTFCIDR-HNNXBMFYSA-N 1 0 296.411 2.062 10 0 CEAERO CCOCCN(CC)C(=O)[C@H]1CCC[C@@H](CC[NH3+])C1 ZINC000111127175 186356084 /nfs/dbraw/zinc/35/60/84/186356084.db2.gz SGVUXZOQAYTYLU-KBPBESRZSA-N 1 0 270.417 2.027 10 0 CEAERO CN(CCC[NH+](C)C)c1nc2ccccc2cc1C=O ZINC000111138865 186357070 /nfs/dbraw/zinc/35/70/70/186357070.db2.gz TYEZPTQJLAOQCK-UHFFFAOYSA-N 1 0 271.364 2.435 10 0 CEAERO CCCNc1ncccc1CN(C)CCC[NH+](C)C ZINC000111146299 186359398 /nfs/dbraw/zinc/35/93/98/186359398.db2.gz MCOAQNQEYIUDLE-UHFFFAOYSA-N 1 0 264.417 2.287 10 0 CEAERO O[C@H](C[NH2+]CC1CCOCC1)c1ccc(F)cc1F ZINC000111161784 186363870 /nfs/dbraw/zinc/36/38/70/186363870.db2.gz VEPKMEWSWCIUCD-CQSZACIVSA-N 1 0 271.307 2.014 10 0 CEAERO C[N@H+](CC1CCOCC1)[C@H]1CCCCCC[C@@H]1O ZINC000111168774 186364078 /nfs/dbraw/zinc/36/40/78/186364078.db2.gz JQLMZYSGMYWDCB-GJZGRUSLSA-N 1 0 255.402 2.429 10 0 CEAERO CN(CC1CCOCC1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000111179930 186366642 /nfs/dbraw/zinc/36/66/42/186366642.db2.gz ZHNXEDTXGJSDPH-UHFFFAOYSA-N 1 0 277.368 2.036 10 0 CEAERO CC[C@H]([NH3+])Cc1noc([C@@H]2CCOc3ccccc32)n1 ZINC000111189446 186367245 /nfs/dbraw/zinc/36/72/45/186367245.db2.gz GIXKABXSAWIGIM-CMPLNLGQSA-N 1 0 273.336 2.264 10 0 CEAERO Nc1c([C@H]2CCCOC2)[nH+]cn1Cc1ccccc1 ZINC000111318320 186396056 /nfs/dbraw/zinc/39/60/56/186396056.db2.gz XCFIIZGEMRDUTK-ZDUSSCGKSA-N 1 0 257.337 2.408 10 0 CEAERO C[C@H]1CCCC[C@H]1[N@H+](C)[C@@H](CN)[C@@H]1CCCOC1 ZINC000111321010 186396515 /nfs/dbraw/zinc/39/65/15/186396515.db2.gz IBGSANRUDNXLGR-YJNKXOJESA-N 1 0 254.418 2.251 10 0 CEAERO CCN(c1cccc(F)c1)[C@@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111321060 186396720 /nfs/dbraw/zinc/39/67/20/186396720.db2.gz LKHRKJCZBKPGTL-DOMZBBRYSA-N 1 0 266.360 2.406 10 0 CEAERO COCC[NH2+][C@H](c1nc(C)c(C)s1)[C@H]1CCCOC1 ZINC000111322389 186396767 /nfs/dbraw/zinc/39/67/67/186396767.db2.gz AIMKZWDIOUULMQ-STQMWFEESA-N 1 0 284.425 2.464 10 0 CEAERO c1csc(CCN2CCC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000111323523 186396904 /nfs/dbraw/zinc/39/69/04/186396904.db2.gz IYZAUADIDQMDSG-CYBMUJFWSA-N 1 0 250.411 2.461 10 0 CEAERO C[NH2+]C[C@@]1(CN2CCc3ccccc32)CCCOC1 ZINC000111323497 186397271 /nfs/dbraw/zinc/39/72/71/186397271.db2.gz NLXDAAWCFSIXHH-MRXNPFEDSA-N 1 0 260.381 2.065 10 0 CEAERO CN(Cc1cccc(F)c1)[C@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111320643 186397350 /nfs/dbraw/zinc/39/73/50/186397350.db2.gz ZCHURRFBNYQWQM-UKRRQHHQSA-N 1 0 266.360 2.011 10 0 CEAERO OC[C@]1(C[N@H+](Cc2ccco2)C2CC2)CCCOC1 ZINC000111331573 186399925 /nfs/dbraw/zinc/39/99/25/186399925.db2.gz JXBFYPLQCFURBR-OAHLLOKOSA-N 1 0 265.353 2.033 10 0 CEAERO Cc1cc2ncc(C[NH2+]Cc3scnc3C)cn2n1 ZINC000111235439 186373665 /nfs/dbraw/zinc/37/36/65/186373665.db2.gz VAJPYDSWHNJFFD-UHFFFAOYSA-N 1 0 273.365 2.092 10 0 CEAERO FC(F)(F)[C@@]1(c2nc3ccccc3[nH]2)CC[NH2+]C1 ZINC000111239748 186375166 /nfs/dbraw/zinc/37/51/66/186375166.db2.gz QKYQBXMEGQYLJV-NSHDSACASA-N 1 0 255.243 2.356 10 0 CEAERO CN(C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)c1cccc(F)c1 ZINC000111246797 186375937 /nfs/dbraw/zinc/37/59/37/186375937.db2.gz AOGSVOGSILCKJO-LBPRGKRZSA-N 1 0 290.260 2.331 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000111263139 186380457 /nfs/dbraw/zinc/38/04/57/186380457.db2.gz DVUQEPYEDKILGC-KCJUWKMLSA-N 1 0 288.269 2.379 10 0 CEAERO Cc1nc2ccc(NC(=O)[C@H]3C[NH2+]C[C@@H]3C)cc2s1 ZINC000111265084 186381522 /nfs/dbraw/zinc/38/15/22/186381522.db2.gz RLPGGXDEKWIRJF-KWQFWETISA-N 1 0 275.377 2.399 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc2cnccc21 ZINC000111265019 186382102 /nfs/dbraw/zinc/38/21/02/186382102.db2.gz NOZGHXJMAXGLRP-MFKMUULPSA-N 1 0 255.321 2.029 10 0 CEAERO CCOCc1ccccc1NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000111264307 186382225 /nfs/dbraw/zinc/38/22/25/186382225.db2.gz MBHCELHIIAZQME-DGCLKSJQSA-N 1 0 262.353 2.017 10 0 CEAERO Cc1ccc(C)c([C@H](C)NC(=O)[C@H]2C[NH2+]C[C@@H]2C)c1 ZINC000111266982 186382829 /nfs/dbraw/zinc/38/28/29/186382829.db2.gz HCGVFEZXTFVTIH-YDHLFZDLSA-N 1 0 260.381 2.336 10 0 CEAERO CCC[C@@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1C)c1ccccc1 ZINC000111266142 186383238 /nfs/dbraw/zinc/38/32/38/186383238.db2.gz SJZUTYWUFDRAPO-AEGPPILISA-N 1 0 260.381 2.500 10 0 CEAERO COc1cccc([C@H]2CCCN2C(=O)[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000111268459 186383609 /nfs/dbraw/zinc/38/36/09/186383609.db2.gz OBRUAXHRXQTVRX-DAXOMENPSA-N 1 0 288.391 2.214 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)CCOc1ccccc1Cl ZINC000111268342 186384092 /nfs/dbraw/zinc/38/40/92/186384092.db2.gz HSONUTQSZYYKCY-VXGBXAGGSA-N 1 0 296.798 2.033 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000111271410 186384139 /nfs/dbraw/zinc/38/41/39/186384139.db2.gz GDUWVIKIDIHAOJ-DVMIWYLISA-N 1 0 276.424 2.175 10 0 CEAERO C[C@H](NC(=O)c1ccc(C[NH3+])cn1)c1ccc(F)cc1 ZINC000111281837 186388363 /nfs/dbraw/zinc/38/83/63/186388363.db2.gz XIWFMLCNGRHMIM-JTQLQIEISA-N 1 0 273.311 2.170 10 0 CEAERO CCOc1ccccc1NC(=O)c1ccc(C[NH3+])cn1 ZINC000111281203 186388418 /nfs/dbraw/zinc/38/84/18/186388418.db2.gz YWODDEWHCDLNOS-UHFFFAOYSA-N 1 0 271.320 2.191 10 0 CEAERO [NH3+]Cc1ccc(C(=O)Nc2ccc(F)c(F)c2)nc1 ZINC000111281156 186388429 /nfs/dbraw/zinc/38/84/29/186388429.db2.gz MDZBFZSLGWXBNH-UHFFFAOYSA-N 1 0 263.247 2.071 10 0 CEAERO C[C@@H]1CCC[C@H](N(C)C(=O)c2ccc(C[NH3+])cn2)C1 ZINC000111281751 186388601 /nfs/dbraw/zinc/38/86/01/186388601.db2.gz DUJCWYDPAZAKRN-YPMHNXCESA-N 1 0 261.369 2.191 10 0 CEAERO [NH3+]Cc1ccc(C(=O)N2CC[C@H](c3ccccc3)C2)nc1 ZINC000111282259 186389129 /nfs/dbraw/zinc/38/91/29/186389129.db2.gz OWMPLXRASYHRAO-HNNXBMFYSA-N 1 0 281.359 2.170 10 0 CEAERO CC[C@@H]([NH3+])Cc1c(C)nn(C)c1N(C)Cc1cscn1 ZINC000111501647 186425178 /nfs/dbraw/zinc/42/51/78/186425178.db2.gz CSTNDNODWTZCDT-LLVKDONJSA-N 1 0 293.440 2.101 10 0 CEAERO C[C@@H]([NH3+])Cc1c(N2CCCSCC2)nc2sccn12 ZINC000111511129 186425562 /nfs/dbraw/zinc/42/55/62/186425562.db2.gz ABRFOYNKDOJCOC-SNVBAGLBSA-N 1 0 296.465 2.229 10 0 CEAERO Cc1cc(C[NH2+]C(C)C)ccc1Sc1nnnn1C ZINC000111555119 186427554 /nfs/dbraw/zinc/42/75/54/186427554.db2.gz RUIWDOXQHMIOIC-UHFFFAOYSA-N 1 0 277.397 2.168 10 0 CEAERO CC[C@H]([NH3+])Cc1ccccc1Sc1n[nH]c(=O)n1CC ZINC000111586091 186429531 /nfs/dbraw/zinc/42/95/31/186429531.db2.gz IBVCKWHKJHVLNX-NSHDSACASA-N 1 0 292.408 2.022 10 0 CEAERO Cc1cnc(Sc2nc3ccccn3c2C[C@H](C)[NH3+])nc1 ZINC000111589017 186430313 /nfs/dbraw/zinc/43/03/13/186430313.db2.gz NKOGRPMROZGYBT-NSHDSACASA-N 1 0 299.403 2.474 10 0 CEAERO CCCNC(=O)[C@@H](C)N1CCCC[C@@H]1C[NH2+]C(C)(C)C ZINC000111704218 186447506 /nfs/dbraw/zinc/44/75/06/186447506.db2.gz TZMCBIIHTRVBFF-ZIAGYGMSSA-N 1 0 283.460 2.144 10 0 CEAERO CC[NH2+][C@H](C)[C@@H]1CCCCN1[C@@H](C)C(=O)N1CCCCC1 ZINC000111711901 186448905 /nfs/dbraw/zinc/44/89/05/186448905.db2.gz WZDAVVSWXKEPFD-PMPSAXMXSA-N 1 0 295.471 2.240 10 0 CEAERO CC(C)C[NH2+]C[C@H]1CCCN(S(=O)(=O)C(C)(C)C)C1 ZINC000111719912 186449750 /nfs/dbraw/zinc/44/97/50/186449750.db2.gz ALXZRIBHGNUBRF-CYBMUJFWSA-N 1 0 290.473 2.072 10 0 CEAERO CC[NH2+][C@H](C)[C@H]1CCCCN1S(=O)(=O)CCC(C)C ZINC000111715363 186450288 /nfs/dbraw/zinc/45/02/88/186450288.db2.gz CRMIQUWUJSHYMV-ZIAGYGMSSA-N 1 0 290.473 2.215 10 0 CEAERO CCCCN(CC[NH3+])C(=O)c1cnn(-c2ccccc2)c1 ZINC000111362592 186405464 /nfs/dbraw/zinc/40/54/64/186405464.db2.gz XONCHMJRSJNRAN-UHFFFAOYSA-N 1 0 286.379 2.073 10 0 CEAERO Cc1ccccc1CC(=O)N[C@H](C[NH3+])Cc1ccccc1 ZINC000111365870 186407048 /nfs/dbraw/zinc/40/70/48/186407048.db2.gz GWMLUQWFFOHDIT-KRWDZBQOSA-N 1 0 282.387 2.224 10 0 CEAERO C[C@H]1CCC[C@](C[NH3+])(NC(=O)c2ccc3c(c2)COC3)C1 ZINC000111369961 186407627 /nfs/dbraw/zinc/40/76/27/186407627.db2.gz HRGOXXPPSYWIOV-SJCJKPOMSA-N 1 0 288.391 2.354 10 0 CEAERO CCC(CC)N(CC[NH3+])S(=O)(=O)c1ccc(C)c(C)c1 ZINC000111373581 186408725 /nfs/dbraw/zinc/40/87/25/186408725.db2.gz MJPAZTDVPJPZAY-UHFFFAOYSA-N 1 0 298.452 2.441 10 0 CEAERO [NH3+]C[C@H](NC(=O)NC1CCCCC1)c1ccccc1 ZINC000111371462 186409054 /nfs/dbraw/zinc/40/90/54/186409054.db2.gz ZZSRZUMBVIBCJI-AWEZNQCLSA-N 1 0 261.369 2.318 10 0 CEAERO Cc1nc(CN2C[C@H]3CCCC[N@H+]3C[C@H]2C)[nH]c1C ZINC000628180233 350993493 /nfs/dbraw/zinc/99/34/93/350993493.db2.gz HHADIHGZJMYIJZ-BXUZGUMPSA-N 1 0 262.401 2.085 10 0 CEAERO [NH3+]Cc1cc2c(cc1Br)OCCCO2 ZINC000069803412 363002549 /nfs/dbraw/zinc/00/25/49/363002549.db2.gz LDKZKYKPHPZQPG-UHFFFAOYSA-N 1 0 258.115 2.069 10 0 CEAERO OC1(Cc2cc(F)ccc2F)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000113162266 186556984 /nfs/dbraw/zinc/55/69/84/186556984.db2.gz ZUTRKTNIZHQUEM-ONXXMXGDSA-N 1 0 253.292 2.153 10 0 CEAERO O[C@H](C[NH2+]C[C@@H]1CCCC12CC2)COCc1ccco1 ZINC000629620058 351433657 /nfs/dbraw/zinc/43/36/57/351433657.db2.gz ZMDWQFQUYJOKDZ-UONOGXRCSA-N 1 0 279.380 2.327 10 0 CEAERO Cc1cccc(N[C@@H]2CCN(CC(F)(F)F)C2)n1 ZINC000131214849 366033163 /nfs/dbraw/zinc/03/31/63/366033163.db2.gz CQWDLCLRCPAWRZ-SNVBAGLBSA-N 1 0 259.275 2.439 10 0 CEAERO CC(C)c1cc(N2CCC[NH2+]CC2)nc(-c2ccncc2)n1 ZINC000070451953 363083703 /nfs/dbraw/zinc/08/37/03/363083703.db2.gz GRUBEKRMQDLIGG-UHFFFAOYSA-N 1 0 297.406 2.462 10 0 CEAERO CCc1nc(N[C@H]2CCC[NH2+]C2)cc(-c2cccnc2)n1 ZINC000070456614 363085036 /nfs/dbraw/zinc/08/50/36/363085036.db2.gz JQDGRTGQICEEBJ-ZDUSSCGKSA-N 1 0 283.379 2.265 10 0 CEAERO CO[C@H]1CN(Cc2c(F)cccc2Cl)[C@](C)(C[NH3+])C1 ZINC000630354939 351709847 /nfs/dbraw/zinc/70/98/47/351709847.db2.gz BYVOWYKIKFCRBG-YGRLFVJLSA-N 1 0 286.778 2.417 10 0 CEAERO CO[C@H]1CN(Cc2ccc(Cl)cc2)[C@](C)(C[NH3+])C1 ZINC000630356123 351710159 /nfs/dbraw/zinc/71/01/59/351710159.db2.gz OQCGAVLVMRHROT-KGLIPLIRSA-N 1 0 268.788 2.278 10 0 CEAERO CO[C@@H]1CN(C(=O)CCC2CCCCC2)[C@@](C)(C[NH3+])C1 ZINC000630360818 351712001 /nfs/dbraw/zinc/71/20/01/351712001.db2.gz IAHZRIGDGLPROK-GOEBONIOSA-N 1 0 282.428 2.312 10 0 CEAERO CO[C@@H]1CN(Cc2ccc(C)c(C)c2)[C@](C)(C[NH3+])C1 ZINC000630365019 351713452 /nfs/dbraw/zinc/71/34/52/351713452.db2.gz HHILLYGLTTXSSU-HOTGVXAUSA-N 1 0 262.397 2.242 10 0 CEAERO CO[C@H]1CN(Cc2cc(F)ccc2Cl)[C@](C)(C[NH3+])C1 ZINC000630369259 351714096 /nfs/dbraw/zinc/71/40/96/351714096.db2.gz WFIBGDFWVAEQPW-OCCSQVGLSA-N 1 0 286.778 2.417 10 0 CEAERO CO[C@@H]1CN(C(=O)c2ccc(Cl)c(C)c2)[C@](C)(C[NH3+])C1 ZINC000630369936 351715455 /nfs/dbraw/zinc/71/54/55/351715455.db2.gz XTANDBGXWWOXGV-WFASDCNBSA-N 1 0 296.798 2.227 10 0 CEAERO [NH3+]CCCOCCNc1ncc(Cl)cc1Cl ZINC000630533912 351775334 /nfs/dbraw/zinc/77/53/34/351775334.db2.gz HJWWKNOIPDMPQI-UHFFFAOYSA-N 1 0 264.156 2.166 10 0 CEAERO [NH3+]C1(CNc2nccc3ccccc32)CCOCC1 ZINC000630524555 351772580 /nfs/dbraw/zinc/77/25/80/351772580.db2.gz RCVANZUGGBTCBN-UHFFFAOYSA-N 1 0 257.337 2.155 10 0 CEAERO [NH3+]C[C@@H]1CN(c2ccccn2)CC[C@@H]1C(F)(F)F ZINC000630529842 351773666 /nfs/dbraw/zinc/77/36/66/351773666.db2.gz XBULQOPXGYVXCR-ZJUUUORDSA-N 1 0 259.275 2.045 10 0 CEAERO C[C@H]1CC[C@H](C(=O)NCCCC[NH+]2CCC(C)CC2)O1 ZINC000131681122 366078038 /nfs/dbraw/zinc/07/80/38/366078038.db2.gz KXPQCNRRCTYGPG-LSDHHAIUSA-N 1 0 282.428 2.182 10 0 CEAERO CCc1nc2n(n1)C[C@H]([NH2+]C[C@H]1CC=CCC1)CC2 ZINC000122342263 187027825 /nfs/dbraw/zinc/02/78/25/187027825.db2.gz WVYATUUTHXFAMN-QWHCGFSZSA-N 1 0 260.385 2.101 10 0 CEAERO [NH3+]CCOc1ccc(NC(=O)c2ccc(Cl)cn2)cc1 ZINC000122461954 187033195 /nfs/dbraw/zinc/03/31/95/187033195.db2.gz LGXQRVUWJXJETR-UHFFFAOYSA-N 1 0 291.738 2.325 10 0 CEAERO CCc1nccn1[C@H]1CCC[N@@H+](Cc2ccnn2CC)C1 ZINC000122893921 187058399 /nfs/dbraw/zinc/05/83/99/187058399.db2.gz MDJFTCQXEZFKMD-AWEZNQCLSA-N 1 0 287.411 2.499 10 0 CEAERO CCC1(CNC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC1 ZINC000122901591 187058977 /nfs/dbraw/zinc/05/89/77/187058977.db2.gz KNKNNXPZIBQZMR-QWHCGFSZSA-N 1 0 267.417 2.205 10 0 CEAERO CC(C)(C)c1nc(CN2CCC[C@H]2C[NH3+])cs1 ZINC000123385916 187088663 /nfs/dbraw/zinc/08/86/63/187088663.db2.gz XOFJIEWEDLOAMO-NSHDSACASA-N 1 0 253.415 2.364 10 0 CEAERO CCC[C@@H](C(=O)Nc1nc2cc(F)ccc2n1C)[NH+](C)C ZINC000123411013 187090600 /nfs/dbraw/zinc/09/06/00/187090600.db2.gz IDXVHEAXKNBQGU-ZDUSSCGKSA-N 1 0 292.358 2.381 10 0 CEAERO CC[C@@H](O)C[NH+]1CCN(Cc2ccc(F)cc2C)CC1 ZINC000123557848 187098620 /nfs/dbraw/zinc/09/86/20/187098620.db2.gz RCXGDEBHMPXWLB-MRXNPFEDSA-N 1 0 280.387 2.023 10 0 CEAERO CC[C@H](O)CN1CC[NH+](CC2CCC(C)CC2)CC1 ZINC000123622965 187101179 /nfs/dbraw/zinc/10/11/79/187101179.db2.gz BGFWWKIWLYXPJN-GPANFISMSA-N 1 0 268.445 2.201 10 0 CEAERO [NH3+]CCc1nc(-c2ccc(Br)s2)no1 ZINC000070597506 363099603 /nfs/dbraw/zinc/09/96/03/363099603.db2.gz NHJXITMEFHWCIK-UHFFFAOYSA-N 1 0 274.143 2.062 10 0 CEAERO C[C@H]1OCC[C@@H]1[NH2+]Cc1ccncc1Br ZINC000631105669 351965654 /nfs/dbraw/zinc/96/56/54/351965654.db2.gz WESPQTSWILXOSI-KCJUWKMLSA-N 1 0 271.158 2.111 10 0 CEAERO [NH3+]Cc1ccnc(-c2cc(Br)cs2)n1 ZINC000070599504 363100607 /nfs/dbraw/zinc/10/06/07/363100607.db2.gz DXWJMEBCDOHWOL-UHFFFAOYSA-N 1 0 270.155 2.426 10 0 CEAERO CC(C)[C@H]([NH3+])CCN(C)c1nc(C2CC2)ns1 ZINC000133572304 187693551 /nfs/dbraw/zinc/69/35/51/187693551.db2.gz NOLVBPOCGLGVSJ-SNVBAGLBSA-N 1 0 254.403 2.225 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)CC[NH2+]C2CC2)cc1F ZINC000094956321 539888591 /nfs/dbraw/zinc/88/85/91/539888591.db2.gz VBECNFQEGLCGEJ-LLVKDONJSA-N 1 0 264.344 2.453 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@H]2CCCc3sccc32)C1 ZINC000252645465 539884515 /nfs/dbraw/zinc/88/45/15/539884515.db2.gz QMZHBBCCUTXATH-JSGCOSHPSA-N 1 0 280.437 2.436 10 0 CEAERO CCOc1ccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)cc1F ZINC000135259267 187812561 /nfs/dbraw/zinc/81/25/61/187812561.db2.gz YDBDRWDXBPOSMT-UWVGGRQHSA-N 1 0 266.316 2.290 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2ccc(F)cc2)C1 ZINC000150853673 187929323 /nfs/dbraw/zinc/92/93/23/187929323.db2.gz KAFVEBFXULEGJO-DOMZBBRYSA-N 1 0 293.386 2.354 10 0 CEAERO CC[C@H](C)OCC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000152482322 188022057 /nfs/dbraw/zinc/02/20/57/188022057.db2.gz ZPUQYFPGGSHWGE-DZGCQCFKSA-N 1 0 278.396 2.221 10 0 CEAERO CCC[C@H](C(=O)NCc1c(CC)noc1CC)[NH+](C)C ZINC000153470778 188084563 /nfs/dbraw/zinc/08/45/63/188084563.db2.gz CWQRHTDYYOORIA-CYBMUJFWSA-N 1 0 281.400 2.146 10 0 CEAERO CCC[C@H](C(=O)N1CCO[C@H](c2ccsc2)C1)[NH+](C)C ZINC000154273146 188132635 /nfs/dbraw/zinc/13/26/35/188132635.db2.gz MPRNKEKBWQOCJT-KGLIPLIRSA-N 1 0 296.436 2.378 10 0 CEAERO CC[C@H]1CN(c2ccc(C(F)(F)F)nn2)CC[C@H]1[NH3+] ZINC000251574110 539979110 /nfs/dbraw/zinc/97/91/10/539979110.db2.gz BZVCOYXSIRYZQY-DTWKUNHWSA-N 1 0 274.290 2.059 10 0 CEAERO COc1cccc(CC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000155601922 188215301 /nfs/dbraw/zinc/21/53/01/188215301.db2.gz ZMHXRGWOGCLQLZ-BBRMVZONSA-N 1 0 290.407 2.083 10 0 CEAERO C[C@H](NC(=O)CC[C@@H]([NH3+])c1ccccc1)[C@H]1CCCO1 ZINC000251700891 539989644 /nfs/dbraw/zinc/98/96/44/539989644.db2.gz XIWZEWRSASWBFA-NWANDNLSSA-N 1 0 276.380 2.150 10 0 CEAERO CCC[C@@H](C(=O)Nc1nc2ccccc2[nH]1)[NH+](C)C ZINC000156773109 188280802 /nfs/dbraw/zinc/28/08/02/188280802.db2.gz QMBVJTULASRDRP-LBPRGKRZSA-N 1 0 260.341 2.232 10 0 CEAERO CCc1ccc([C@H](C)NC(=O)[C@H]2CC[NH2+][C@H]2C)cc1 ZINC000252615573 540005699 /nfs/dbraw/zinc/00/56/99/540005699.db2.gz ZEJFDUNMTNJNFY-HUBLWGQQSA-N 1 0 260.381 2.424 10 0 CEAERO CCC[C@@H](C(=O)N[C@H](C)c1nc2ccccc2[nH]1)[NH+](C)C ZINC000161553793 188534697 /nfs/dbraw/zinc/53/46/97/188534697.db2.gz YHUCVNPPUGZLIS-RISCZKNCSA-N 1 0 288.395 2.470 10 0 CEAERO CC[C@H]1CN(c2nnc(C(F)(F)F)s2)CC[C@H]1[NH3+] ZINC000253156577 540016604 /nfs/dbraw/zinc/01/66/04/540016604.db2.gz OZHNALKLUOKWBH-NKWVEPMBSA-N 1 0 280.319 2.121 10 0 CEAERO CC(C)CCNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000132495987 366148454 /nfs/dbraw/zinc/14/84/54/366148454.db2.gz WLYYGDOAUBRQIX-OLZOCXBDSA-N 1 0 255.406 2.060 10 0 CEAERO CCC(CC)n1ccc(Cn2cc(C(C)(C)[NH3+])nn2)n1 ZINC000070324552 540064167 /nfs/dbraw/zinc/06/41/67/540064167.db2.gz QPXXZNSWTSSWIA-UHFFFAOYSA-N 1 0 276.388 2.078 10 0 CEAERO [NH3+]CC[C@H](O)c1ccc(Br)cc1Cl ZINC000083557710 540118321 /nfs/dbraw/zinc/11/83/21/540118321.db2.gz SFMMHKFMTSWMQK-VIFPVBQESA-N 1 0 264.550 2.485 10 0 CEAERO c1ccc(-c2nnc(CN3CC[N@@H+]4CCCC[C@@H]4C3)o2)cc1 ZINC000172801045 188827040 /nfs/dbraw/zinc/82/70/40/188827040.db2.gz OOOJTVWMIKGPDL-OAHLLOKOSA-N 1 0 298.390 2.407 10 0 CEAERO OC[C@@H]1[NH2+]CCOc2c(Br)cc(Cl)cc21 ZINC000675072591 540113960 /nfs/dbraw/zinc/11/39/60/540113960.db2.gz AAXTZPFOWUWBAV-VIFPVBQESA-N 1 0 292.560 2.118 10 0 CEAERO C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)[C@H]1CC[NH3+] ZINC000404301116 540121011 /nfs/dbraw/zinc/12/10/11/540121011.db2.gz ZOWIYYIKMDDWTR-RGDJUOJXSA-N 1 0 250.386 2.008 10 0 CEAERO O[C@@H]1CCC[C@@H](C[N@@H+]2CCC3(C2)CCOCC3)C1 ZINC000380884864 540136437 /nfs/dbraw/zinc/13/64/37/540136437.db2.gz FPRCYUXUYOMIPA-ZIAGYGMSSA-N 1 0 253.386 2.040 10 0 CEAERO Cc1[nH]c2ccc(C(=O)N3CC[C@@H]([NH3+])[C@H]3C)cc2c1C ZINC000383572661 540185937 /nfs/dbraw/zinc/18/59/37/540185937.db2.gz MYSTZZLDLDBYTK-BXUZGUMPSA-N 1 0 271.364 2.346 10 0 CEAERO CCC[C@@H](C(=O)NC[C@H]1Cc2ccccc21)[NH+](C)C ZINC000154627939 540187923 /nfs/dbraw/zinc/18/79/23/540187923.db2.gz PHJHSHNDRDLPLS-HIFRSBDPSA-N 1 0 260.381 2.173 10 0 CEAERO C[C@H]1CCCN(c2ncnc3ccsc32)[C@@H]1C[NH3+] ZINC000070178336 290455890 /nfs/dbraw/zinc/45/58/90/290455890.db2.gz JYYNUIJZHQOXRS-GXSJLCMTSA-N 1 0 262.382 2.255 10 0 CEAERO Cc1cc(I)cc(N[C@@H](C)C[NH3+])c1 ZINC000575489118 366291453 /nfs/dbraw/zinc/29/14/53/366291453.db2.gz YZZAOHBNTSQJKN-QMMMGPOBSA-N 1 0 290.148 2.359 10 0 CEAERO C[C@H]1C[C@@H]1NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000076078124 363519314 /nfs/dbraw/zinc/51/93/14/363519314.db2.gz GNDMOCBFHCRODV-WFASDCNBSA-N 1 0 279.428 2.349 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000227399775 538822199 /nfs/dbraw/zinc/82/21/99/538822199.db2.gz RAUDTGNKXOPMSS-MXWKQRLJSA-N 1 0 278.318 2.162 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H](C)c1ccccn1 ZINC000079207053 363585413 /nfs/dbraw/zinc/58/54/13/363585413.db2.gz ZCAFURLIWILQSD-ZIAGYGMSSA-N 1 0 292.427 2.418 10 0 CEAERO Cc1nc([C@H](C)[NH2+]CC2(O)CCSCC2)cs1 ZINC000676488933 538893313 /nfs/dbraw/zinc/89/33/13/538893313.db2.gz GOGJFRWMKCRZOI-VIFPVBQESA-N 1 0 272.439 2.360 10 0 CEAERO C[C@@H]1CC[N@H+](C[C@H](O)COCc2ccccc2)[C@@H]1C ZINC000175763192 188965662 /nfs/dbraw/zinc/96/56/62/188965662.db2.gz CEZYZURVDKINFQ-FMKPAKJESA-N 1 0 263.381 2.294 10 0 CEAERO Cc1ncc(C[N@H+](C)C[C@@H]2CCC[C@H](O)C2)s1 ZINC000310098492 540335948 /nfs/dbraw/zinc/33/59/48/540335948.db2.gz AQUXFTXXXHHUQC-NEPJUHHUSA-N 1 0 254.399 2.434 10 0 CEAERO CC[C@H]([NH2+]C1CCN(C(=O)N(C)C)CC1)C(C)C ZINC000135361058 366431415 /nfs/dbraw/zinc/43/14/15/366431415.db2.gz FDJBPYKWFQWOJO-ZDUSSCGKSA-N 1 0 255.406 2.157 10 0 CEAERO CC[C@H](NC(=O)[C@@]1(C)CCC[NH2+]1)c1ccc(OC)cc1 ZINC000079514965 363611416 /nfs/dbraw/zinc/61/14/16/363611416.db2.gz NZWGSGVMEPMAPH-GOEBONIOSA-N 1 0 276.380 2.405 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nccn1C(F)F ZINC000136078271 366494292 /nfs/dbraw/zinc/49/42/92/366494292.db2.gz YUFMIWCGJGYQTP-NWDGAFQWSA-N 1 0 284.354 2.337 10 0 CEAERO CCC[C@H](C(=O)NCCc1cccc(OC)c1)[NH+](C)C ZINC000136237822 366504989 /nfs/dbraw/zinc/50/49/89/366504989.db2.gz QWORHBHQJHMISV-OAHLLOKOSA-N 1 0 278.396 2.084 10 0 CEAERO Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)[nH]c1C ZINC000497001526 291190831 /nfs/dbraw/zinc/19/08/31/291190831.db2.gz SWNXXVDSHHYDFM-SNVBAGLBSA-N 1 0 296.415 2.419 10 0 CEAERO C/C=C(\C)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000685939264 540635195 /nfs/dbraw/zinc/63/51/95/540635195.db2.gz MUAPNNYJZOBIBH-CFRHYJNPSA-N 1 0 276.355 2.354 10 0 CEAERO CCC1([NH+]2CCN(C(=O)OC(C)(C)C)CC2)CCOCC1 ZINC000685961021 540660680 /nfs/dbraw/zinc/66/06/80/540660680.db2.gz MPBIAWJVFQJRLC-UHFFFAOYSA-N 1 0 298.427 2.498 10 0 CEAERO C[C@@H](C[NH3+])c1ccc(I)cc1 ZINC000142813419 366568730 /nfs/dbraw/zinc/56/87/30/366568730.db2.gz JDWQIPZCZRKUMN-ZETCQYMHSA-N 1 0 261.106 2.353 10 0 CEAERO O[C@H](CN[C@H]1CCc2cc(F)ccc21)C[NH+]1CCCCC1 ZINC000151246111 366633229 /nfs/dbraw/zinc/63/32/29/366633229.db2.gz NYPHKYQIOAPBBQ-WBVHZDCISA-N 1 0 292.398 2.249 10 0 CEAERO CCc1ccc([C@H](C)NC[C@H](O)C[NH+]2CCCCC2)o1 ZINC000151349922 366641722 /nfs/dbraw/zinc/64/17/22/366641722.db2.gz DLFIOUXKJAOLPH-KBPBESRZSA-N 1 0 280.412 2.339 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Cc1ccc(C)cc1 ZINC000176977856 189018191 /nfs/dbraw/zinc/01/81/91/189018191.db2.gz UKJZTXBADRSHNP-MRXNPFEDSA-N 1 0 274.408 2.480 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cc1ccc(C)cc1 ZINC000176977869 189018238 /nfs/dbraw/zinc/01/82/38/189018238.db2.gz UKJZTXBADRSHNP-INIZCTEOSA-N 1 0 274.408 2.480 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1occc1C ZINC000177006932 189019788 /nfs/dbraw/zinc/01/97/88/189019788.db2.gz CBVXRZWAGAKCFJ-LBPRGKRZSA-N 1 0 250.342 2.144 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(C(C)C)n[nH]1 ZINC000177021191 189021462 /nfs/dbraw/zinc/02/14/62/189021462.db2.gz IBELWNBRYBHCPL-GFCCVEGCSA-N 1 0 278.400 2.089 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Cc1ccccc1OC ZINC000177025116 189021640 /nfs/dbraw/zinc/02/16/40/189021640.db2.gz MBEVLAVEEMYHJX-OAHLLOKOSA-N 1 0 290.407 2.180 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Cc1cc(F)ccc1F ZINC000177036563 189022624 /nfs/dbraw/zinc/02/26/24/189022624.db2.gz KFMXVEINXHPYGP-CQSZACIVSA-N 1 0 296.361 2.450 10 0 CEAERO COc1cccc([C@@H](C)[NH2+]C[C@H](C)N2CCOCC2)c1 ZINC000177199154 189036268 /nfs/dbraw/zinc/03/62/68/189036268.db2.gz NWSRGVXHWBBTPV-UONOGXRCSA-N 1 0 278.396 2.067 10 0 CEAERO C[C@@H]1C[N@H+](Cc2cccc(F)c2F)C[C@@H]1N1CCOCC1 ZINC000177280662 189041212 /nfs/dbraw/zinc/04/12/12/189041212.db2.gz XEXDDEGNVIUIPJ-DOMZBBRYSA-N 1 0 296.361 2.117 10 0 CEAERO CCOC(=O)CCC[NH2+][C@@H]1CCc2c1cccc2O ZINC000081544845 363727166 /nfs/dbraw/zinc/72/71/66/363727166.db2.gz XBHAYYWSJRIHAK-CYBMUJFWSA-N 1 0 263.337 2.312 10 0 CEAERO C[C@H](C[NH2+][C@H](C)c1ccsc1)N1CCOCC1 ZINC000177731871 189065998 /nfs/dbraw/zinc/06/59/98/189065998.db2.gz DVTZUGBPQDONQP-VXGBXAGGSA-N 1 0 254.399 2.119 10 0 CEAERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000178302069 189105444 /nfs/dbraw/zinc/10/54/44/189105444.db2.gz YTBXDLVVDWIDSY-OAHLLOKOSA-N 1 0 256.353 2.251 10 0 CEAERO CCOC(=O)CCCC[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178325302 189107437 /nfs/dbraw/zinc/10/74/37/189107437.db2.gz QKQPLWSNCMBFRY-OAHLLOKOSA-N 1 0 293.411 2.389 10 0 CEAERO CCC[C@H](C(=O)NCCOc1ccc(C)cc1)[NH+](C)C ZINC000179142493 189172532 /nfs/dbraw/zinc/17/25/32/189172532.db2.gz WUWQROYZTDEXEN-OAHLLOKOSA-N 1 0 278.396 2.220 10 0 CEAERO CCC[C@H]1C[N@H+](C[C@H](O)COCc2ccccc2)CCO1 ZINC000179156952 189173731 /nfs/dbraw/zinc/17/37/31/189173731.db2.gz JMJBWDDLUYIEGN-IRXDYDNUSA-N 1 0 293.407 2.065 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(c3cccc(C(F)(F)F)n3)C[C@H]12 ZINC000261660793 283597172 /nfs/dbraw/zinc/59/71/72/283597172.db2.gz ZCKALGHHUGLNHJ-KXUCPTDWSA-N 1 0 271.286 2.274 10 0 CEAERO Cc1ccc(F)cc1C[N@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000180248558 189246451 /nfs/dbraw/zinc/24/64/51/189246451.db2.gz XCVKKDCQTZRHMZ-WMLDXEAASA-N 1 0 292.398 2.287 10 0 CEAERO [NH3+][C@H]1CCCN(C(=O)[C@H]2SCCc3sccc32)C1 ZINC000158500409 283625296 /nfs/dbraw/zinc/62/52/96/283625296.db2.gz YSGYITBNNXCXEI-CABZTGNLSA-N 1 0 282.434 2.028 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)c1cc(F)c(F)c(F)c1 ZINC000063008267 283621703 /nfs/dbraw/zinc/62/17/03/283621703.db2.gz RGSAUPITTGTHKB-QWRGUYRKSA-N 1 0 272.270 2.104 10 0 CEAERO Cc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCc3ncnn3C2)s1 ZINC000180586003 189263316 /nfs/dbraw/zinc/26/33/16/189263316.db2.gz WHXGENYDXQFKLC-MWLCHTKSSA-N 1 0 277.397 2.017 10 0 CEAERO Cc1cccc([C@H](C)[NH2+]C[C@H]2CN(C)CCO2)c1C ZINC000180501066 189259475 /nfs/dbraw/zinc/25/94/75/189259475.db2.gz ORAMAFVDSMFOHZ-GJZGRUSLSA-N 1 0 262.397 2.285 10 0 CEAERO CC[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccccc1F ZINC000180853430 189280174 /nfs/dbraw/zinc/28/01/74/189280174.db2.gz ACOFRWUCMNUTFG-BXUZGUMPSA-N 1 0 274.343 2.473 10 0 CEAERO CCc1nn(C)cc1C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000179987183 542259536 /nfs/dbraw/zinc/25/95/36/542259536.db2.gz FAMCZSBUMCVQNB-AWEZNQCLSA-N 1 0 299.422 2.312 10 0 CEAERO Cc1cc(NCC[NH+](C)C)c2ccc(C(=O)[O-])cc2[nH+]1 ZINC000004226534 361306822 /nfs/dbraw/zinc/30/68/22/361306822.db2.gz JKFCLQQVPLSPCM-UHFFFAOYSA-N 1 0 273.336 2.215 10 0 CEAERO C[N@@H+]1C[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1)C2 ZINC000004336174 361311770 /nfs/dbraw/zinc/31/17/70/361311770.db2.gz BVDHQJBRTAVWED-NWANDNLSSA-N 1 0 258.365 2.289 10 0 CEAERO Cc1cnn([C@H]2CCC[N@H+](CCCn3ccnc3)C2)c1 ZINC000182762013 189333594 /nfs/dbraw/zinc/33/35/94/189333594.db2.gz CQZPGHVYWAREJV-HNNXBMFYSA-N 1 0 273.384 2.115 10 0 CEAERO CC[C@H](C)Oc1cc(CNC(=O)[C@H]([NH3+])[C@@H](C)CC)ccn1 ZINC000183068378 189345177 /nfs/dbraw/zinc/34/51/77/189345177.db2.gz KPJRCVXIRXEPEH-SLEUVZQESA-N 1 0 293.411 2.249 10 0 CEAERO Cc1cc(C)c(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)[nH]1 ZINC000155916454 366824065 /nfs/dbraw/zinc/82/40/65/366824065.db2.gz MNJQGHLGSGYFKR-ZIAGYGMSSA-N 1 0 275.396 2.188 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)CCc2ccc(O)cc2)[C@@H](C)C1 ZINC000184014043 189373953 /nfs/dbraw/zinc/37/39/53/189373953.db2.gz OLDGWHNFPSVGBE-BBRMVZONSA-N 1 0 290.407 2.170 10 0 CEAERO COc1cc(CNc2cc[nH+]c(N)c2F)cc(OC)c1O ZINC000027306445 361650006 /nfs/dbraw/zinc/65/00/06/361650006.db2.gz XVVXRDQJYRHLMF-UHFFFAOYSA-N 1 0 293.298 2.138 10 0 CEAERO COc1ccc(Br)c(CN2CCC[C@H]2C[NH3+])c1 ZINC000087789312 363869866 /nfs/dbraw/zinc/86/98/66/363869866.db2.gz ZUVSCKSKKDJFJP-NSHDSACASA-N 1 0 299.212 2.381 10 0 CEAERO CCN1CCC[C@H]([NH2+]Cc2cncn2C(C)C)C1 ZINC000090208724 364049405 /nfs/dbraw/zinc/04/94/05/364049405.db2.gz XSXDJCOXUYIDTK-ZDUSSCGKSA-N 1 0 250.390 2.038 10 0 CEAERO c1cnn(CC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000090473536 364059429 /nfs/dbraw/zinc/05/94/29/364059429.db2.gz IGDUUHGEJZWCPW-UHFFFAOYSA-N 1 0 256.353 2.190 10 0 CEAERO O=C(C[C@@H]1CSCC[NH2+]1)N[C@@H]1CCCc2ccccc21 ZINC000091134576 364068581 /nfs/dbraw/zinc/06/85/81/364068581.db2.gz CAFHXVBNTHDEQR-UKRRQHHQSA-N 1 0 290.432 2.275 10 0 CEAERO CN(c1cccnn1)C1CC[NH+](C2CCCC2)CC1 ZINC000093272750 364156898 /nfs/dbraw/zinc/15/68/98/364156898.db2.gz JZXZSRIBDUBSCJ-UHFFFAOYSA-N 1 0 260.385 2.320 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc2[nH]ccc21 ZINC000093295251 364158327 /nfs/dbraw/zinc/15/83/27/364158327.db2.gz PKNNYBPZJQBEPT-CHWSQXEVSA-N 1 0 283.375 2.477 10 0 CEAERO C[C@]12CCCC[C@H]1CN2C(=O)C1CCC([NH3+])CC1 ZINC000638754820 370726868 /nfs/dbraw/zinc/72/68/68/370726868.db2.gz BANOBPBJFYCXDE-GWIFJHRUSA-N 1 0 250.386 2.295 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCCC2(CC2)CC1 ZINC000638756972 370727823 /nfs/dbraw/zinc/72/78/23/370727823.db2.gz SCEGKOYISIWAFK-QWHCGFSZSA-N 1 0 250.386 2.167 10 0 CEAERO [NH3+][C@H]1CC[C@@H](C(=O)Nc2cccc(OCCF)c2)C1 ZINC000237937099 370761641 /nfs/dbraw/zinc/76/16/41/370761641.db2.gz VWXHOEJMWGNAFI-MNOVXSKESA-N 1 0 266.316 2.101 10 0 CEAERO [NH3+][C@@H]1CC[C@H](C(=O)NCC2(c3ccc(F)cc3)CC2)C1 ZINC000237958546 370762410 /nfs/dbraw/zinc/76/24/10/370762410.db2.gz DAIOKEJDEAPNPZ-SMDDNHRTSA-N 1 0 276.355 2.101 10 0 CEAERO [NH3+][C@@H]1CC[C@H](C(=O)NCc2ccccc2OC2CCC2)C1 ZINC000237961186 370762511 /nfs/dbraw/zinc/76/25/11/370762511.db2.gz NHHJYUIFEPWDSH-GXTWGEPZSA-N 1 0 288.391 2.362 10 0 CEAERO Cc1c(C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)cnn1C ZINC000093649712 364208730 /nfs/dbraw/zinc/20/87/30/364208730.db2.gz COJVNUQQWOPLPJ-NSHDSACASA-N 1 0 287.363 2.351 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCc1cscn1 ZINC000094449818 364274776 /nfs/dbraw/zinc/27/47/76/364274776.db2.gz VQIALKDDWHVYFW-ZIAGYGMSSA-N 1 0 265.426 2.244 10 0 CEAERO CN(Cc1ccnc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000095070713 364331010 /nfs/dbraw/zinc/33/10/10/364331010.db2.gz XRTSIVXWDBGDHE-LLVKDONJSA-N 1 0 284.201 2.028 10 0 CEAERO CN(Cc1ccc(Cl)nc1)C[C@@H]1CCCC[NH2+]1 ZINC000095070866 364331180 /nfs/dbraw/zinc/33/11/80/364331180.db2.gz FRWYNYBYTCAREA-LBPRGKRZSA-N 1 0 253.777 2.309 10 0 CEAERO CN(Cc1ccnc(Br)c1)C[C@H]1CCC[NH2+]C1 ZINC000095071153 364331349 /nfs/dbraw/zinc/33/13/49/364331349.db2.gz IMPZBJNGHMLPOE-LBPRGKRZSA-N 1 0 298.228 2.276 10 0 CEAERO CSc1nccc(SC[C@@H]2CCCC[NH2+]2)n1 ZINC000095071812 364332402 /nfs/dbraw/zinc/33/24/02/364332402.db2.gz 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/nfs/dbraw/zinc/90/12/11/177901211.db2.gz CPEZHXFIGSWHQU-QMTHXVAHSA-N 1 0 267.394 2.075 10 0 CEAERO C[C@@H]([NH3+])CCCS(=O)(=O)c1ccccc1Cl ZINC000081920525 177894513 /nfs/dbraw/zinc/89/45/13/177894513.db2.gz RQVXAJUDKQMYHR-SECBINFHSA-N 1 0 261.774 2.241 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@H]1Sc1nnnn1-c1ccccc1 ZINC000081869115 177869084 /nfs/dbraw/zinc/86/90/84/177869084.db2.gz MIQDEKYFARDDBE-CHWSQXEVSA-N 1 0 289.408 2.414 10 0 CEAERO CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1Sc1nnnn1C1CC1 ZINC000081867784 177867726 /nfs/dbraw/zinc/86/77/26/177867726.db2.gz XYRAYULCQQWOGJ-WCQGTBRESA-N 1 0 281.429 2.267 10 0 CEAERO CC[NH2+][C@H]1CCC(C)(C)C[C@H]1Sc1nncn1C ZINC000081866963 177866717 /nfs/dbraw/zinc/86/67/17/177866717.db2.gz STWMOXAHNSXJPO-WDEREUQCSA-N 1 0 268.430 2.464 10 0 CEAERO C[NH2+][C@H](c1ccccc1)[C@H](Sc1nnnn1C)C(C)C ZINC000081844448 177865934 /nfs/dbraw/zinc/86/59/34/177865934.db2.gz HVZBTBPSLSFQQO-CHWSQXEVSA-N 1 0 291.424 2.288 10 0 CEAERO CCC[C@H](NC(=O)CC1C[NH2+]C1)c1cccs1 ZINC000081766172 177855125 /nfs/dbraw/zinc/85/51/25/177855125.db2.gz MPIAREQTJYVDTD-NSHDSACASA-N 1 0 252.383 2.315 10 0 CEAERO Cc1cc(Br)ccc1NC(=O)CC1C[NH2+]C1 ZINC000081745536 177851108 /nfs/dbraw/zinc/85/11/08/177851108.db2.gz OPYXCOUFRHPMJI-UHFFFAOYSA-N 1 0 283.169 2.306 10 0 CEAERO CC[NH+]1CCC(N(C)c2ncnc3ccc(N)cc32)CC1 ZINC000081592294 177827630 /nfs/dbraw/zinc/82/76/30/177827630.db2.gz FVKQLDAXGOBJIF-UHFFFAOYSA-N 1 0 285.395 2.133 10 0 CEAERO NC(=O)[C@]1([NH2+]C2CCCC2)CCC[C@H](C2CC2)C1 ZINC000081643286 177834542 /nfs/dbraw/zinc/83/45/42/177834542.db2.gz BJPINSBOYBPTGI-WFASDCNBSA-N 1 0 250.386 2.343 10 0 CEAERO [NH2+]=C(C1CCCC1)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000081529905 177808455 /nfs/dbraw/zinc/80/84/55/177808455.db2.gz HZSWKXIUEVPGGK-UHFFFAOYSA-N 1 0 287.289 2.280 10 0 CEAERO COC[C@@H]1CCN(c2ccc(Cl)cc2C(N)=[NH2+])C1 ZINC000081066695 177764065 /nfs/dbraw/zinc/76/40/65/177764065.db2.gz UDGRLWXBEQYODR-SECBINFHSA-N 1 0 267.760 2.097 10 0 CEAERO COC[C@H]1CCN(C(=O)CC[C@H](CC[NH3+])C(C)(C)C)C1 ZINC000081061145 177763480 /nfs/dbraw/zinc/76/34/80/177763480.db2.gz OJYQXTPODIWFDX-UONOGXRCSA-N 1 0 284.444 2.273 10 0 CEAERO CC(C)[C@H](C)C[NH2+]Cc1cc(C(N)=O)ccc1F ZINC000081057425 177762618 /nfs/dbraw/zinc/76/26/18/177762618.db2.gz XJXJGSIENJKNTE-SNVBAGLBSA-N 1 0 252.333 2.306 10 0 CEAERO O=C1[C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]2CN1c1cccnc1 ZINC000247846301 256696723 /nfs/dbraw/zinc/69/67/23/256696723.db2.gz DNZGVNIZPUTSIK-UKRRQHHQSA-N 1 0 299.399 2.238 10 0 CEAERO COc1ccc(CN(C)C(=O)[C@H]2CCCCC[NH2+]2)cc1F ZINC000081015617 177755301 /nfs/dbraw/zinc/75/53/01/177755301.db2.gz MPSQIGUYTGNIHI-CQSZACIVSA-N 1 0 294.370 2.325 10 0 CEAERO COC(=O)[C@H](C[NH2+]CCc1ccccn1)c1ccccc1 ZINC000080967962 177743001 /nfs/dbraw/zinc/74/30/01/177743001.db2.gz HEPNOORFVGGEJH-MRXNPFEDSA-N 1 0 284.359 2.171 10 0 CEAERO COC(=O)c1cccc(NC(=O)[C@@]2([NH3+])CCC[C@H](C)C2)c1 ZINC000080927998 177731566 /nfs/dbraw/zinc/73/15/66/177731566.db2.gz BJGRTIGAQGEZFU-MEDUHNTESA-N 1 0 290.363 2.319 10 0 CEAERO CCOC(=O)C[C@@]1([NH+]2CCCC2)CCOC(C)(C)C1 ZINC000080689254 177691658 /nfs/dbraw/zinc/69/16/58/177691658.db2.gz LUQSSLNXWGQTBL-HNNXBMFYSA-N 1 0 269.385 2.363 10 0 CEAERO CCOC(=O)C[C@@]1([NH+]2CCCCCC2)CN2CCC1CC2 ZINC000080685676 177690904 /nfs/dbraw/zinc/69/09/04/177690904.db2.gz MNAHDVHGCHQJFF-QGZVFWFLSA-N 1 0 294.439 2.280 10 0 CEAERO C[C@H]([NH2+]CC(C)(C)S(C)(=O)=O)c1ccccc1 ZINC000093519615 184687404 /nfs/dbraw/zinc/68/74/04/184687404.db2.gz WMKJSHPMUMHBAB-NSHDSACASA-N 1 0 255.383 2.160 10 0 CEAERO CC[NH2+][C@@H]1CCC[C@@H]1CCn1c(=O)oc2cccnc21 ZINC000093557865 184690862 /nfs/dbraw/zinc/69/08/62/184690862.db2.gz DNMHXRPBHKRELI-VXGBXAGGSA-N 1 0 275.352 2.158 10 0 CEAERO CCC[NH2+][C@@]1(CO)CCC[C@H]1CCn1cc(Cl)cn1 ZINC000093618832 184696546 /nfs/dbraw/zinc/69/65/46/184696546.db2.gz UDEWGDNZOZINFE-GXTWGEPZSA-N 1 0 285.819 2.457 10 0 CEAERO CC[NH2+][C@@]1(CO)CCC[C@H]1CCn1nc(C)cc1C ZINC000093618688 184696793 /nfs/dbraw/zinc/69/67/93/184696793.db2.gz LMSKTGKOYQWSAI-LSDHHAIUSA-N 1 0 265.401 2.031 10 0 CEAERO CC(C)OCCOCC[C@H]1CCC[C@@]1(CO)[NH2+]C1CC1 ZINC000093620606 184697496 /nfs/dbraw/zinc/69/74/96/184697496.db2.gz LDXSZOZEMGENLU-ZBFHGGJFSA-N 1 0 285.428 2.101 10 0 CEAERO CCC[NH2+][C@H](Cc1ccn(C(C)C)n1)[C@H](C)OC ZINC000093692194 184707077 /nfs/dbraw/zinc/70/70/77/184707077.db2.gz IJVFHKDZZMDILT-GXTWGEPZSA-N 1 0 253.390 2.410 10 0 CEAERO CC[NH2+][C@@H](C[C@H]1CCCN(S(C)(=O)=O)C1)C(C)(C)C ZINC000093700029 184707916 /nfs/dbraw/zinc/70/79/16/184707916.db2.gz ZAOZMNICNOYLHZ-OLZOCXBDSA-N 1 0 290.473 2.072 10 0 CEAERO CCC[NH2+][C@H](CC)CC[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093697976 184707945 /nfs/dbraw/zinc/70/79/45/184707945.db2.gz VZKHDZQLYVHQJE-ZIAGYGMSSA-N 1 0 290.473 2.216 10 0 CEAERO COC(=O)C(C)(C)C[NH2+]CCc1ccccc1F ZINC000093715378 184708419 /nfs/dbraw/zinc/70/84/19/184708419.db2.gz KXGUNUANEODRKK-UHFFFAOYSA-N 1 0 253.317 2.157 10 0 CEAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1cc(N)ccc1F ZINC000094446642 184802239 /nfs/dbraw/zinc/80/22/39/184802239.db2.gz LPRXKMAUWNEHBC-DGCLKSJQSA-N 1 0 291.370 2.107 10 0 CEAERO C[NH2+][C@H](c1cccc(F)c1)[C@H]1CN(C(C)C)CCO1 ZINC000093927183 184744823 /nfs/dbraw/zinc/74/48/23/184744823.db2.gz CLQSBQZYDXUTFD-HUUCEWRRSA-N 1 0 266.360 2.195 10 0 CEAERO Cc1ccoc1C(=O)NC1C(C)(C)C([NH3+])C1(C)C ZINC000094006295 184749840 /nfs/dbraw/zinc/74/98/40/184749840.db2.gz USFSLRCLMUQTKH-UHFFFAOYSA-N 1 0 250.342 2.080 10 0 CEAERO CCn1ccnc1C[C@@](C)([NH3+])Cc1ccc(OC)cc1 ZINC000094143226 184756503 /nfs/dbraw/zinc/75/65/03/184756503.db2.gz ZEOIJQJSVKVZHC-INIZCTEOSA-N 1 0 273.380 2.414 10 0 CEAERO C[NH2+][C@H](Cc1nc2ccccc2n1C)C[C@H]1CCCO1 ZINC000094170765 184759053 /nfs/dbraw/zinc/75/90/53/184759053.db2.gz NQHHKAQDRSIEMZ-QWHCGFSZSA-N 1 0 273.380 2.273 10 0 CEAERO C[NH2+][C@H](c1ccc(OC)cc1OC)[C@@H]1CCO[C@@H]1C ZINC000094176150 184759734 /nfs/dbraw/zinc/75/97/34/184759734.db2.gz SUTGQEAUEDXORW-HCKVZZMMSA-N 1 0 265.353 2.389 10 0 CEAERO CN(C(=O)c1ccc(F)c(F)c1F)[C@H]1CCC[C@@H]1C[NH3+] ZINC000094185133 184760082 /nfs/dbraw/zinc/76/00/82/184760082.db2.gz SCWMWEQLDHKUHQ-KCJUWKMLSA-N 1 0 286.297 2.303 10 0 CEAERO C[C@@H](C[NH3+])c1noc(-c2ccc(F)c(F)c2F)n1 ZINC000094185694 184760526 /nfs/dbraw/zinc/76/05/26/184760526.db2.gz DXETUNMXKSNUMY-YFKPBYRVSA-N 1 0 257.215 2.216 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccc(OCc2ccccn2)cn1 ZINC000094216412 184764134 /nfs/dbraw/zinc/76/41/34/184764134.db2.gz QLQSATGLWKPOIP-GFCCVEGCSA-N 1 0 257.337 2.335 10 0 CEAERO CC[C@H]([NH3+])Cc1ccc(OCCc2ccccn2)cn1 ZINC000094216135 184764338 /nfs/dbraw/zinc/76/43/38/184764338.db2.gz NOQHQZAUMDLHJS-ZDUSSCGKSA-N 1 0 271.364 2.378 10 0 CEAERO CC[C@H]([NH3+])Cc1ccc(OCCOC(C)C)cn1 ZINC000094216413 184764354 /nfs/dbraw/zinc/76/43/54/184764354.db2.gz COVZIAMRVCNWJZ-LBPRGKRZSA-N 1 0 252.358 2.165 10 0 CEAERO CCCCS(=O)(=O)[C@@H]1CCC(C)(C)[C@@H]1[NH2+]CC ZINC000094311323 184778541 /nfs/dbraw/zinc/77/85/41/184778541.db2.gz DBDIRYAXUOFNSL-VXGBXAGGSA-N 1 0 261.431 2.368 10 0 CEAERO CCc1cc(C[C@@]2(C[NH3+])CCCC(C)(C)[C@H]2O)n(C)n1 ZINC000094320873 184779799 /nfs/dbraw/zinc/77/97/99/184779799.db2.gz CHAMFNNMTXBKNC-GDBMZVCRSA-N 1 0 279.428 2.041 10 0 CEAERO Cc1nc(COc2c(F)cc(C[C@H](C)[NH3+])cc2F)no1 ZINC000094350210 184787071 /nfs/dbraw/zinc/78/70/71/184787071.db2.gz PHOIOURZPSQZOF-ZETCQYMHSA-N 1 0 283.278 2.125 10 0 CEAERO CCCn1c(=S)[nH]nc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000094462975 184805189 /nfs/dbraw/zinc/80/51/89/184805189.db2.gz JOLPRBZNNXKMLQ-QWRGUYRKSA-N 1 0 281.429 2.024 10 0 CEAERO CC1CCC(C[NH3+])(O[C@H]2CCO[C@]3(CCOC3)C2)CC1 ZINC000094361921 184788907 /nfs/dbraw/zinc/78/89/07/184788907.db2.gz RMIAFPWBVZNBQR-BHDPWAOGSA-N 1 0 283.412 2.249 10 0 CEAERO [NH3+]CC1(O[C@@H]2CCOC3(CCOCC3)C2)CCCC1 ZINC000094361878 184789093 /nfs/dbraw/zinc/78/90/93/184789093.db2.gz ADCHKRCTXBHVKY-CYBMUJFWSA-N 1 0 269.385 2.003 10 0 CEAERO CC(C)SC[C@H]([NH3+])[C@H]1CCOC2(CCOCC2)C1 ZINC000094404233 184793517 /nfs/dbraw/zinc/79/35/17/184793517.db2.gz GBJLMGQYPOUMAJ-STQMWFEESA-N 1 0 273.442 2.431 10 0 CEAERO C[NH2+][C@@H](c1cnn(C)c1)[C@H]1CCOC2(CCSCC2)C1 ZINC000094404837 184793537 /nfs/dbraw/zinc/79/35/37/184793537.db2.gz XOPMITKNOGHPBN-GXTWGEPZSA-N 1 0 295.452 2.373 10 0 CEAERO CCC[C@H]1CN(Cc2ncnn2C)c2ccccc2C[NH2+]1 ZINC000094421053 184795780 /nfs/dbraw/zinc/79/57/80/184795780.db2.gz FQDOFKSYWWKGJZ-AWEZNQCLSA-N 1 0 285.395 2.094 10 0 CEAERO CCOCC[N@H+](CC)C[C@@H]1C(=O)C(C)(C)OC1(C)C ZINC000094429547 184797412 /nfs/dbraw/zinc/79/74/12/184797412.db2.gz OSNQWWNCHZWKFA-GFCCVEGCSA-N 1 0 271.401 2.118 10 0 CEAERO CC1(C)OC(C)(C)[C@@H](C[NH+]2CCCCCC2)[C@@H]1O ZINC000094430180 184797600 /nfs/dbraw/zinc/79/76/00/184797600.db2.gz WZPCORXGQYQFQQ-STQMWFEESA-N 1 0 255.402 2.427 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@H]1C(=O)NCCc1cccs1 ZINC000094749266 184852365 /nfs/dbraw/zinc/85/23/65/184852365.db2.gz UPKKMEZXUSUUIL-CHWSQXEVSA-N 1 0 266.410 2.314 10 0 CEAERO C[NH2+]C[C@@H](C)c1c(C)nc([C@@]2(C)CCCO2)nc1C ZINC000094785763 184863886 /nfs/dbraw/zinc/86/38/86/184863886.db2.gz VFDMPOJRQJQZEP-MEBBXXQBSA-N 1 0 263.385 2.442 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)NC[C@]1(C)CCCO1 ZINC000094800079 184868123 /nfs/dbraw/zinc/86/81/23/184868123.db2.gz ZUGRXPYKOHRAMX-AWEZNQCLSA-N 1 0 270.417 2.217 10 0 CEAERO CCC[NH2+][C@@H](CCC(F)(F)F)Cc1ncnn1C ZINC000094493732 184809790 /nfs/dbraw/zinc/80/97/90/184809790.db2.gz AWDHCXITSORMHT-VIFPVBQESA-N 1 0 264.295 2.068 10 0 CEAERO C(c1nc([C@@H]2CSCCS2)no1)C1CC[NH2+]CC1 ZINC000094495772 184810818 /nfs/dbraw/zinc/81/08/18/184810818.db2.gz YVTRIUCUCXZUSB-JTQLQIEISA-N 1 0 285.438 2.133 10 0 CEAERO CC[NH2+][C@@H]1CCC[C@H]1c1nc([C@@H]2CSCCO2)no1 ZINC000094505807 184812201 /nfs/dbraw/zinc/81/22/01/184812201.db2.gz RIHMWAGHFNMNSL-MXWKQRLJSA-N 1 0 283.397 2.120 10 0 CEAERO CCC[N@@H+]1CCC[C@@]2(CC1)C(N)=NC(=O)N2C(C)C ZINC000094515569 184813152 /nfs/dbraw/zinc/81/31/52/184813152.db2.gz YTYJOLNTNGTPDX-CQSZACIVSA-N 1 0 266.389 2.032 10 0 CEAERO COC(=O)[C@@H](c1cccc(C2CC2)c1)N1CCC[NH2+]CC1 ZINC000094521701 184813515 /nfs/dbraw/zinc/81/35/15/184813515.db2.gz ZPBISBLTTHYCFN-MRXNPFEDSA-N 1 0 288.391 2.073 10 0 CEAERO C[C@H]1C[C@H]([NH3+])CN(C(=O)c2c(F)cccc2Cl)C1 ZINC000094549487 184815578 /nfs/dbraw/zinc/81/55/78/184815578.db2.gz QFWCQHXTWCKSJU-IUCAKERBSA-N 1 0 270.735 2.288 10 0 CEAERO COc1ccc(Cl)cc1C(=O)N1C[C@H](C)C[C@@H]([NH3+])C1 ZINC000094548812 184815761 /nfs/dbraw/zinc/81/57/61/184815761.db2.gz KTPNPZUKAFOTCW-MWLCHTKSSA-N 1 0 282.771 2.158 10 0 CEAERO Cc1ccc(C)c(CC(=O)N2C[C@H](C)C[C@@H]([NH3+])C2)c1 ZINC000094549888 184816515 /nfs/dbraw/zinc/81/65/15/184816515.db2.gz BWXSRNLAVPRVMX-IUODEOHRSA-N 1 0 260.381 2.042 10 0 CEAERO [NH3+]C[C@@H]1CC[C@@H](c2nc(C3CCCCC3)no2)O1 ZINC000094560777 184817837 /nfs/dbraw/zinc/81/78/37/184817837.db2.gz DZMVPAOQZCQAGD-QWRGUYRKSA-N 1 0 251.330 2.296 10 0 CEAERO [NH3+]C[C@H]1CC[C@H](c2nc(-c3ccc(F)cc3)no2)O1 ZINC000094560808 184817886 /nfs/dbraw/zinc/81/78/86/184817886.db2.gz NVIOYNSWBYRYFO-GHMZBOCLSA-N 1 0 263.272 2.055 10 0 CEAERO CCCc1ccccc1NC(=O)[C@@H]1CC[C@@H](C[NH3+])O1 ZINC000094566187 184819595 /nfs/dbraw/zinc/81/95/95/184819595.db2.gz CUDORHAHMGBSKV-JSGCOSHPSA-N 1 0 262.353 2.084 10 0 CEAERO CC[NH+](CC)C[C@@H](C)Nc1nc2ccc(C)cn2n1 ZINC000094605111 184824723 /nfs/dbraw/zinc/82/47/23/184824723.db2.gz BARGYNHDDUMWIB-GFCCVEGCSA-N 1 0 261.373 2.180 10 0 CEAERO CC[NH2+][C@H]1CCC2(C[C@H]1Sc1ccncc1)OCCO2 ZINC000094615981 184826368 /nfs/dbraw/zinc/82/63/68/184826368.db2.gz GHXZLMNHUCCIDS-UONOGXRCSA-N 1 0 294.420 2.447 10 0 CEAERO CCC[NH2+][C@H](C)c1cc(F)ccc1OC[C@H](O)COC ZINC000094620302 184827307 /nfs/dbraw/zinc/82/73/07/184827307.db2.gz UNJYATMUPGBQFY-DGCLKSJQSA-N 1 0 285.359 2.272 10 0 CEAERO CCC[NH2+][C@@H](COCC)Cc1ccc(OC)nc1 ZINC000094633320 184830901 /nfs/dbraw/zinc/83/09/01/184830901.db2.gz VLQMJNOCRIDZTC-CYBMUJFWSA-N 1 0 252.358 2.037 10 0 CEAERO CCOc1ccccc1NC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000094646764 184833284 /nfs/dbraw/zinc/83/32/84/184833284.db2.gz UJJVMTWQZKCKTA-NEPJUHHUSA-N 1 0 262.353 2.412 10 0 CEAERO C[C@@H](Oc1ccc(C[NH2+]C(C)(C)C)nc1)[C@H](C)O ZINC000094653711 184835714 /nfs/dbraw/zinc/83/57/14/184835714.db2.gz VNDZBMKFJNFNMG-WDEREUQCSA-N 1 0 252.358 2.118 10 0 CEAERO CC(C)C[C@H](C[NH3+])C(=O)N1CCC[C@@H]1c1ccncc1 ZINC000094697242 184841502 /nfs/dbraw/zinc/84/15/02/184841502.db2.gz CDGSLVSZKVIJFO-HUUCEWRRSA-N 1 0 275.396 2.366 10 0 CEAERO CC(C)C[C@@H](C[NH3+])C(=O)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000094697645 184841819 /nfs/dbraw/zinc/84/18/19/184841819.db2.gz ZSTIIXSQNJZYGA-AAEUAGOBSA-N 1 0 292.379 2.214 10 0 CEAERO CC(C)C[C@@H](C[NH3+])C(=O)N[C@@H](C)Cc1ccccc1 ZINC000094700214 184842200 /nfs/dbraw/zinc/84/22/00/184842200.db2.gz SHPCQUXVGKTSIK-ZFWWWQNUSA-N 1 0 262.397 2.355 10 0 CEAERO COc1ccccc1C[C@@H](C)NC(=O)[C@@H](C[NH3+])CC(C)C ZINC000094698240 184842421 /nfs/dbraw/zinc/84/24/21/184842421.db2.gz ASSBWJANDCADNZ-UKRRQHHQSA-N 1 0 292.423 2.363 10 0 CEAERO CCN(Cc1ccncc1)C(=O)[C@H](C[NH3+])CC(C)C ZINC000094698893 184842709 /nfs/dbraw/zinc/84/27/09/184842709.db2.gz HTRAEKGVMAPWJI-AWEZNQCLSA-N 1 0 263.385 2.051 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@@H]1CNC(=O)Cc1cccc(F)c1F ZINC000094714897 184845525 /nfs/dbraw/zinc/84/55/25/184845525.db2.gz MFTIZJPFBRSCOY-CHWSQXEVSA-N 1 0 296.361 2.389 10 0 CEAERO CN(CCC1CC[NH2+]CC1)C(=O)Cc1cccc(F)c1F ZINC000094712167 184846036 /nfs/dbraw/zinc/84/60/36/184846036.db2.gz PVHWZASWYCVZCG-UHFFFAOYSA-N 1 0 296.361 2.355 10 0 CEAERO Cc1cc(C)cc(CS(=O)(=O)[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000094721236 184846707 /nfs/dbraw/zinc/84/67/07/184846707.db2.gz QNWAFPJIDYBHJN-LSDHHAIUSA-N 1 0 281.421 2.346 10 0 CEAERO CCC[NH2+]C1CCN(Cc2cccnc2OC)CC1 ZINC000095005502 184912971 /nfs/dbraw/zinc/91/29/71/184912971.db2.gz PZRHMIJXFRUDGO-UHFFFAOYSA-N 1 0 263.385 2.054 10 0 CEAERO CC[C@@H]1CN(Cc2cccnc2OC)[C@H](C2CC2)C[NH2+]1 ZINC000095011429 184915255 /nfs/dbraw/zinc/91/52/55/184915255.db2.gz OCGLCIRSJRNZSO-CABCVRRESA-N 1 0 275.396 2.053 10 0 CEAERO CC[C@H]([NH3+])Cc1ccn(Cc2cccnc2OC)c1 ZINC000095010708 184915476 /nfs/dbraw/zinc/91/54/76/184915476.db2.gz JUXFYRFOGJLWKD-AWEZNQCLSA-N 1 0 259.353 2.220 10 0 CEAERO [NH3+]CCN(C(=O)C[C@@H]1CCCCO1)C1CCCCC1 ZINC000095033162 184920039 /nfs/dbraw/zinc/92/00/39/184920039.db2.gz NNORPHLRZHCUGY-AWEZNQCLSA-N 1 0 268.401 2.066 10 0 CEAERO CCOCCCc1nnc(CC[NH2+]C(C)(C)C)s1 ZINC000095038487 184921875 /nfs/dbraw/zinc/92/18/75/184921875.db2.gz MAXQBAPDFPEIRA-UHFFFAOYSA-N 1 0 271.430 2.438 10 0 CEAERO [NH3+][C@H]1CCCCC[C@@H]1NC(=O)Cc1ccc(F)c(F)c1 ZINC000095045945 184923407 /nfs/dbraw/zinc/92/34/07/184923407.db2.gz ZCSJROJNGQMAEI-KBPBESRZSA-N 1 0 282.334 2.284 10 0 CEAERO CCOc1nc2ccccc2nc1N[C@H]1CCC[NH2+]C1 ZINC000095069682 184931514 /nfs/dbraw/zinc/93/15/14/184931514.db2.gz BLGMMBUHVJHRHR-NSHDSACASA-N 1 0 272.352 2.192 10 0 CEAERO O=C(OCc1ccccc1)N1CC(CC[NH2+]C2CC2)C1 ZINC000095077807 184936377 /nfs/dbraw/zinc/93/63/77/184936377.db2.gz XAMFFJADTGZPJW-UHFFFAOYSA-N 1 0 274.364 2.397 10 0 CEAERO Brc1ccc(COC[C@@H]2CCC[NH2+]C2)cn1 ZINC000095092342 184941155 /nfs/dbraw/zinc/94/11/55/184941155.db2.gz VWGAYCYQVFGECP-SNVBAGLBSA-N 1 0 285.185 2.360 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1cc(OC)ccc1F ZINC000094855390 184881817 /nfs/dbraw/zinc/88/18/17/184881817.db2.gz LVEPVSMGKLCXLA-VIFPVBQESA-N 1 0 254.305 2.161 10 0 CEAERO CCC1(c2nc([C@H](C)N3CC[NH2+]CC3)no2)CCCC1 ZINC000094908531 184891297 /nfs/dbraw/zinc/89/12/97/184891297.db2.gz QQUNVIJCAXSEMN-LBPRGKRZSA-N 1 0 278.400 2.258 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N(CC)Cc1cccc(C)n1 ZINC000094914691 184891717 /nfs/dbraw/zinc/89/17/17/184891717.db2.gz ZGQFUMTWXAGOLW-UHFFFAOYSA-N 1 0 263.385 2.127 10 0 CEAERO CC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(NC(N)=O)cc1 ZINC000094949650 184901727 /nfs/dbraw/zinc/90/17/27/184901727.db2.gz QYQDNKYSIGIJKB-RYUDHWBXSA-N 1 0 279.384 2.236 10 0 CEAERO Cc1cc(F)ccc1CCNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000094961763 184905822 /nfs/dbraw/zinc/90/58/22/184905822.db2.gz REPBJUZZKBETIB-WFASDCNBSA-N 1 0 278.371 2.181 10 0 CEAERO Cc1nc(CN(CC[NH3+])C2CCCC2)sc1C ZINC000094967395 184906684 /nfs/dbraw/zinc/90/66/84/184906684.db2.gz HVDJJNAFTJYMFW-UHFFFAOYSA-N 1 0 253.415 2.463 10 0 CEAERO C[NH2+][C@@H](Cc1nc(C)c(C)s1)[C@H]1CCCOC1 ZINC000094973589 184908904 /nfs/dbraw/zinc/90/89/04/184908904.db2.gz SRTBWTWNKNHHFR-RYUDHWBXSA-N 1 0 254.399 2.317 10 0 CEAERO Cn1nccc1C1CC[NH+](C[C@@H]2CCC=CO2)CC1 ZINC000191072748 130180180 /nfs/dbraw/zinc/18/01/80/130180180.db2.gz JPFNKWRDWXCYFG-AWEZNQCLSA-N 1 0 261.369 2.292 10 0 CEAERO [NH3+][C@@H]1CCN(C(=O)c2cccc(OCc3ccccc3)c2)C1 ZINC000237929284 131066543 /nfs/dbraw/zinc/06/65/43/131066543.db2.gz PKIFRHSUNKCVJU-MRXNPFEDSA-N 1 0 296.370 2.439 10 0 CEAERO O=C(NCC1(Cc2ccc(F)cc2)CC1)[C@H]1CCC[NH2+]1 ZINC000262604411 131240092 /nfs/dbraw/zinc/24/00/92/131240092.db2.gz ZKKHFMAIQWEFDX-CQSZACIVSA-N 1 0 276.355 2.017 10 0 CEAERO CC[NH2+][C@@H]1CCCN(c2cc(OC)cc(OC)c2)C1 ZINC000071197921 134961206 /nfs/dbraw/zinc/96/12/06/134961206.db2.gz VCHRXWYEXSNNFI-GFCCVEGCSA-N 1 0 264.369 2.282 10 0 CEAERO CC[C@@H]1CN(c2cc(OC)cc(OC)c2)[C@H](C)C[NH2+]1 ZINC000083479431 135023762 /nfs/dbraw/zinc/02/37/62/135023762.db2.gz JFKVNZCTISCWBW-VXGBXAGGSA-N 1 0 264.369 2.281 10 0 CEAERO COc1cc(OC)cc(N2CC[NH2+][C@@H](C(C)C)C2)c1 ZINC000083479380 135023826 /nfs/dbraw/zinc/02/38/26/135023826.db2.gz STADNKWGVVEEPX-OAHLLOKOSA-N 1 0 264.369 2.138 10 0 CEAERO C[C@@H](CC[NH3+])CCC(=O)N1CCN(C)c2ccccc21 ZINC000083709181 135030803 /nfs/dbraw/zinc/03/08/03/135030803.db2.gz FIUYZEBFACSFFW-CYBMUJFWSA-N 1 0 275.396 2.235 10 0 CEAERO Cc1ccc2c(c1)CCCN2C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085357307 135036701 /nfs/dbraw/zinc/03/67/01/135036701.db2.gz JOXAORJVGPJFMX-KBPBESRZSA-N 1 0 258.365 2.402 10 0 CEAERO CC[C@]1(C)CN(c2cc(OC)ccc2OC)CC[NH2+]1 ZINC000086123172 135038550 /nfs/dbraw/zinc/03/85/50/135038550.db2.gz WAAAEKABUQVFGS-OAHLLOKOSA-N 1 0 264.369 2.282 10 0 CEAERO CC[C@@H]1CN(c2ccc(N3CCOCC3)cc2)CCC[NH2+]1 ZINC000086296725 135039768 /nfs/dbraw/zinc/03/97/68/135039768.db2.gz LWMSDDOJFRUXRJ-OAHLLOKOSA-N 1 0 289.423 2.102 10 0 CEAERO C[C@H]1CCC[C@]1(C[NH3+])N1CCN(c2ccccc2F)CC1 ZINC000086676607 135048636 /nfs/dbraw/zinc/04/86/36/135048636.db2.gz IQETVHJVIUZCNR-WMLDXEAASA-N 1 0 291.414 2.465 10 0 CEAERO C[C@@H]1C[C@H]([NH3+])CN(c2ncccc2Br)C1 ZINC000087043195 135049102 /nfs/dbraw/zinc/04/91/02/135049102.db2.gz BMGNIHXVGRZHGY-BDAKNGLRSA-N 1 0 270.174 2.018 10 0 CEAERO Nc1ccccc1N1CC[NH+](CCC[C@H]2CCCO2)CC1 ZINC000087263311 135049777 /nfs/dbraw/zinc/04/97/77/135049777.db2.gz JNWSPNHMFHPFCE-HNNXBMFYSA-N 1 0 289.423 2.350 10 0 CEAERO C[C@H]([NH3+])c1cc(F)ccc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090906413 135065870 /nfs/dbraw/zinc/06/58/70/135065870.db2.gz YBIHWMHKKZCQBM-ZMLRMANQSA-N 1 0 250.317 2.213 10 0 CEAERO C[C@@H]1CN(c2cc(C(F)(F)F)ccn2)C[C@H](C)[NH2+]1 ZINC000090802704 135065983 /nfs/dbraw/zinc/06/59/83/135065983.db2.gz OMSZQEIIHGGABW-DTORHVGOSA-N 1 0 259.275 2.287 10 0 CEAERO Cc1nc(Cl)c(C)c(N2CCC[C@H]([NH+](C)C)C2)n1 ZINC000091428467 135069889 /nfs/dbraw/zinc/06/98/89/135069889.db2.gz WBOQFNZXYNZPHF-NSHDSACASA-N 1 0 268.792 2.277 10 0 CEAERO CSC1(C[NH3+])CCN(c2cnnc3ccccc32)CC1 ZINC000091477446 135071160 /nfs/dbraw/zinc/07/11/60/135071160.db2.gz WXRZYLNZPDEDCI-UHFFFAOYSA-N 1 0 288.420 2.291 10 0 CEAERO CC[C@@]1(CO)CCCN(c2cc(N3CCCC3)cn[nH+]2)C1 ZINC000091793864 135073931 /nfs/dbraw/zinc/07/39/31/135073931.db2.gz RUSNKIJXSWSPCS-MRXNPFEDSA-N 1 0 290.411 2.066 10 0 CEAERO C[C@H]1CCCN(C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)C1 ZINC000091991330 135074546 /nfs/dbraw/zinc/07/45/46/135074546.db2.gz UUGNNDDHXFARII-JSGCOSHPSA-N 1 0 273.380 2.228 10 0 CEAERO CC(C)[NH2+]C[C@H]1CCCN(c2cccc(F)c2C(N)=O)C1 ZINC000093409474 135080936 /nfs/dbraw/zinc/08/09/36/135080936.db2.gz RMMMZEQRVQQZHW-GFCCVEGCSA-N 1 0 293.386 2.139 10 0 CEAERO Cc1cc(C)c(CO)c(N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)n1 ZINC000094440243 135087949 /nfs/dbraw/zinc/08/79/49/135087949.db2.gz QNCBPOWSERDGRR-GJZGRUSLSA-N 1 0 289.423 2.254 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]2CN(c3nccc4occc43)C[C@@H]21 ZINC000236315740 394484827 /nfs/dbraw/zinc/48/48/27/394484827.db2.gz YORRBPFBWUTRID-KGYLQXTDSA-N 1 0 257.337 2.391 10 0 CEAERO CC[C@@H]1CCCCN1C(=O)CN(C)C[C@H]1CCC[N@@H+]1CC ZINC000245474325 394499987 /nfs/dbraw/zinc/49/99/87/394499987.db2.gz QUNJNCRBVGJPAM-HZPDHXFCSA-N 1 0 295.471 2.194 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCc2cccc(C)c2)C1 ZINC000052522750 394557840 /nfs/dbraw/zinc/55/78/40/394557840.db2.gz DWCGBGJTABZNKH-OAHLLOKOSA-N 1 0 275.396 2.279 10 0 CEAERO CN(Cc1ccccc1F)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054291200 394560207 /nfs/dbraw/zinc/56/02/07/394560207.db2.gz HYGLCGAFQCYMBO-LBPRGKRZSA-N 1 0 264.344 2.174 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)Cc2cccs2)C1 ZINC000057824408 394564103 /nfs/dbraw/zinc/56/41/03/394564103.db2.gz BZZIVYYAZSIKPJ-STQMWFEESA-N 1 0 295.452 2.463 10 0 CEAERO C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000246838856 394522327 /nfs/dbraw/zinc/52/23/27/394522327.db2.gz DGAXPCHQFPJNOZ-CZUORRHYSA-N 1 0 278.371 2.293 10 0 CEAERO CN(C)C(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000309739576 394531825 /nfs/dbraw/zinc/53/18/25/394531825.db2.gz VJHUKJRKNUDAQZ-HRCADAONSA-N 1 0 287.407 2.168 10 0 CEAERO OCC[C@H]1CC[N@H+](CCCOCc2ccccc2)C1 ZINC000309984137 394534544 /nfs/dbraw/zinc/53/45/44/394534544.db2.gz WNTHKGHCCQLGJH-OAHLLOKOSA-N 1 0 263.381 2.298 10 0 CEAERO C[C@@H]1CN(C(=O)/C=C\c2ccc(Cl)cc2)C[C@H]1[NH3+] ZINC000310600966 394535130 /nfs/dbraw/zinc/53/51/30/394535130.db2.gz QITMMVMMDUBPCK-GQPKQTGRSA-N 1 0 264.756 2.159 10 0 CEAERO Cc1cnn(CC[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@H]2O)c1 ZINC000312867881 394542346 /nfs/dbraw/zinc/54/23/46/394542346.db2.gz OCTHFNCSZBYLOX-BZUAXINKSA-N 1 0 277.412 2.207 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccnn2C(C)C)C1 ZINC000049210940 394543016 /nfs/dbraw/zinc/54/30/16/394543016.db2.gz NWGFHCDPRVOMIG-GFCCVEGCSA-N 1 0 279.388 2.070 10 0 CEAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCN1CCC(O)CC1 ZINC000321268691 394547165 /nfs/dbraw/zinc/54/71/65/394547165.db2.gz ATEMLABHWVVXGT-HYVNUMGLSA-N 1 0 282.472 2.494 10 0 CEAERO Oc1cccc(C[NH2+][C@@H]2CCC[C@H](O)C2)c1Cl ZINC000328254860 394551903 /nfs/dbraw/zinc/55/19/03/394551903.db2.gz UAEDMEUCNVBYOJ-MNOVXSKESA-N 1 0 255.745 2.439 10 0 CEAERO CC[C@](C)(O)C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000249380372 394554438 /nfs/dbraw/zinc/55/44/38/394554438.db2.gz OZELFFGQGUMXHK-IRXDYDNUSA-N 1 0 275.392 2.321 10 0 CEAERO COc1cc(C[NH2+]CC2CC(O)C2)ccc1OC(C)C ZINC000091415651 394657217 /nfs/dbraw/zinc/65/72/17/394657217.db2.gz TXXWHNZOSVRVNP-UHFFFAOYSA-N 1 0 279.380 2.343 10 0 CEAERO CC(C)C[N@H+](CC(N)=O)Cc1ccc2ccccc2n1 ZINC000074348607 394606941 /nfs/dbraw/zinc/60/69/41/394606941.db2.gz NYPBLIGXISCQFA-UHFFFAOYSA-N 1 0 271.364 2.178 10 0 CEAERO C[C@H](C(=O)N1CCC[C@H]1CCCO)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413648111 394609338 /nfs/dbraw/zinc/60/93/38/394609338.db2.gz LRJPJHHJQVYWFJ-BARDWOONSA-N 1 0 282.428 2.011 10 0 CEAERO C[C@H](C(=O)N1CCC[C@@H]1CCCO)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413648117 394609416 /nfs/dbraw/zinc/60/94/16/394609416.db2.gz LRJPJHHJQVYWFJ-LXTVHRRPSA-N 1 0 282.428 2.011 10 0 CEAERO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000262578103 394620396 /nfs/dbraw/zinc/62/03/96/394620396.db2.gz PJEJSJLQACQGLT-RVMXOQNASA-N 1 0 270.417 2.070 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]C2CCN(OC)CC2)c1C ZINC000421872477 394623349 /nfs/dbraw/zinc/62/33/49/394623349.db2.gz GVVXVBFJPODOAC-LLVKDONJSA-N 1 0 280.416 2.196 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc2ccccc2[nH]1 ZINC000083550328 394640379 /nfs/dbraw/zinc/64/03/79/394640379.db2.gz BUVVPNOBJFYXIM-GXTWGEPZSA-N 1 0 283.375 2.477 10 0 CEAERO CC1(C)CC(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC(C)(C)[NH2+]1 ZINC000111892560 394741605 /nfs/dbraw/zinc/74/16/05/394741605.db2.gz OXAUHFISPWLGBV-CHWSQXEVSA-N 1 0 292.423 2.471 10 0 CEAERO CCOCCN1CC[N@@H+](C2CCCC2)C[C@H]1CC ZINC000131510506 394912642 /nfs/dbraw/zinc/91/26/42/394912642.db2.gz CXWLSOUVGMCBMQ-CQSZACIVSA-N 1 0 254.418 2.362 10 0 CEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCC[C@@H](C)C2)C1 ZINC000131843580 394919766 /nfs/dbraw/zinc/91/97/66/394919766.db2.gz YYAOADGGEREXPP-HZSPNIEDSA-N 1 0 267.417 2.157 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)N2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000131843982 394920383 /nfs/dbraw/zinc/92/03/83/394920383.db2.gz YYAOADGGEREXPP-RDBSUJKOSA-N 1 0 267.417 2.157 10 0 CEAERO CCC[C@H](C(=O)N[C@H](C)c1nc(C)cs1)[NH+](C)C ZINC000131938515 394921916 /nfs/dbraw/zinc/92/19/16/394921916.db2.gz CKBMPCRRJAHXLD-GHMZBOCLSA-N 1 0 269.414 2.359 10 0 CEAERO CC[C@H]1CN(C(=O)N[C@@H](C)CC(C)C)CC[N@@H+]1CCOC ZINC000133324109 394948991 /nfs/dbraw/zinc/94/89/91/394948991.db2.gz QPYAIOLRFILOKE-GJZGRUSLSA-N 1 0 299.459 2.173 10 0 CEAERO COc1ccc(CCC(=O)N2CC[C@@H]([NH3+])[C@H]2C)cc1Cl ZINC000423658355 394962566 /nfs/dbraw/zinc/96/25/66/394962566.db2.gz DAIYLERVVSQQLK-ZWNOBZJWSA-N 1 0 296.798 2.229 10 0 CEAERO C[C@H]([NH2+]CC1CCN(C(=O)C(C)(C)C)CC1)[C@@H]1CCCO1 ZINC000161946865 395067950 /nfs/dbraw/zinc/06/79/50/395067950.db2.gz FPZVJIOJXYAZIR-ZFWWWQNUSA-N 1 0 296.455 2.428 10 0 CEAERO Cc1ccc(SCCC(=O)N2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000423948405 395032511 /nfs/dbraw/zinc/03/25/11/395032511.db2.gz JTNCCTUSGRWRBE-GXTWGEPZSA-N 1 0 278.421 2.283 10 0 CEAERO C[C@@H]1CN(C(=O)c2csc3c2CC[C@@H](C)C3)C[C@@H]1[NH3+] ZINC000423964046 395036621 /nfs/dbraw/zinc/03/66/21/395036621.db2.gz VENVUSJOCMVNED-BREBYQMCSA-N 1 0 278.421 2.292 10 0 CEAERO C[C@@H]1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)[C@H]1C ZINC000177061294 395144653 /nfs/dbraw/zinc/14/46/53/395144653.db2.gz RFAYVSSZLVTJSB-IJEWVQPXSA-N 1 0 274.408 2.416 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc2c1CCCN2 ZINC000176975510 395143571 /nfs/dbraw/zinc/14/35/71/395143571.db2.gz HPEIYVFBRIPNTN-UONOGXRCSA-N 1 0 299.418 2.353 10 0 CEAERO CCC[C@H](CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC)OC ZINC000378743986 395159460 /nfs/dbraw/zinc/15/94/60/395159460.db2.gz KQUDHNZTPATMTD-SOUVJXGZSA-N 1 0 254.418 2.360 10 0 CEAERO CCC[C@H](CN1C[C@H]2CCC[N@@H+]2C[C@H]1CC)OC ZINC000378743984 395159563 /nfs/dbraw/zinc/15/95/63/395159563.db2.gz KQUDHNZTPATMTD-RBSFLKMASA-N 1 0 254.418 2.360 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000382359412 395182157 /nfs/dbraw/zinc/18/21/57/395182157.db2.gz MKJHKALJCDGDCC-LSDHHAIUSA-N 1 0 266.429 2.410 10 0 CEAERO FC1(F)CCCC[C@H]1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000381719056 395177028 /nfs/dbraw/zinc/17/70/28/395177028.db2.gz RHXFGIHSIBUOPW-STQMWFEESA-N 1 0 258.356 2.497 10 0 CEAERO CCc1cc(CC)nc(N2CC[C@H]([NH3+])[C@H](CC)C2)n1 ZINC000382119724 395179141 /nfs/dbraw/zinc/17/91/41/395179141.db2.gz BLCROBPPZKJAAK-RISCZKNCSA-N 1 0 262.401 2.165 10 0 CEAERO O[C@@H]1CCC[C@@H](C[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000383269972 395184825 /nfs/dbraw/zinc/18/48/25/395184825.db2.gz FSYQLOHLNFZRQP-NVXWUHKLSA-N 1 0 274.408 2.360 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N(C)Cc1ccsc1 ZINC000384266282 395192176 /nfs/dbraw/zinc/19/21/76/395192176.db2.gz PNQIKZIODBFIEE-PWSUYJOCSA-N 1 0 252.383 2.095 10 0 CEAERO CC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000390224039 395198763 /nfs/dbraw/zinc/19/87/63/395198763.db2.gz ZYPLXKNJFUWUOJ-CQSZACIVSA-N 1 0 275.352 2.105 10 0 CEAERO Fc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCc2ncnn2C1 ZINC000180605506 395204589 /nfs/dbraw/zinc/20/45/89/395204589.db2.gz DATCQENWQNGASI-GXTWGEPZSA-N 1 0 272.327 2.009 10 0 CEAERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1cc(F)cc(F)c1 ZINC000180602354 395204950 /nfs/dbraw/zinc/20/49/50/395204950.db2.gz DLKRYBPDCKNOMY-ZANVPECISA-N 1 0 278.306 2.222 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccns1 ZINC000404334244 395282643 /nfs/dbraw/zinc/28/26/43/395282643.db2.gz AQIPOLZEEIJEQQ-VXGBXAGGSA-N 1 0 251.399 2.202 10 0 CEAERO CC(=O)CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000186036934 395284705 /nfs/dbraw/zinc/28/47/05/395284705.db2.gz QWTTZZYHKAROIC-MJBXVCDLSA-N 1 0 296.411 2.201 10 0 CEAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C1CCSCC1)CC2 ZINC000187328575 395299922 /nfs/dbraw/zinc/29/99/22/395299922.db2.gz OEYYMKSHTQWKMY-WCQYABFASA-N 1 0 294.468 2.277 10 0 CEAERO CCOc1cc(C[NH2+]CCn2ccnc2C)ccc1O ZINC000298239611 395354178 /nfs/dbraw/zinc/35/41/78/395354178.db2.gz CDTVGOVTXJRKMN-UHFFFAOYSA-N 1 0 275.352 2.086 10 0 CEAERO CC(=O)CC(C)(C)CC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000191850165 395365622 /nfs/dbraw/zinc/36/56/22/395365622.db2.gz JTTNHIPCRSRJCO-TZMCWYRMSA-N 1 0 280.412 2.077 10 0 CEAERO CCCCOC[C@H](O)C[NH2+]C(C)(C)c1nc(C)cs1 ZINC000195188921 395461357 /nfs/dbraw/zinc/46/13/57/395461357.db2.gz HEGPBBHTQYZZIX-GFCCVEGCSA-N 1 0 286.441 2.454 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)COc2ccc(C)c(C)c2)C1 ZINC000194631527 395444455 /nfs/dbraw/zinc/44/44/55/395444455.db2.gz TTYWOCHMKMCHEB-OAHLLOKOSA-N 1 0 290.407 2.283 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)CCc2ccsc2)C1 ZINC000194635140 395444903 /nfs/dbraw/zinc/44/49/03/395444903.db2.gz OYMQHNHCUJKWKU-ZDUSSCGKSA-N 1 0 266.410 2.281 10 0 CEAERO C[C@H]1CN(Cc2ccccc2)CC[N@H+](CC2(O)CCC2)C1 ZINC000448552183 395515223 /nfs/dbraw/zinc/51/52/23/395515223.db2.gz OPJUDRICQMXUGA-INIZCTEOSA-N 1 0 288.435 2.355 10 0 CEAERO C[C@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000647906823 395771337 /nfs/dbraw/zinc/77/13/37/395771337.db2.gz IWZZNHIBNZCVCI-PTOFAABTSA-N 1 0 252.745 2.255 10 0 CEAERO O=C(C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)N1CCCCCC1 ZINC000646093739 396289843 /nfs/dbraw/zinc/28/98/43/396289843.db2.gz IGEPHHSBTLCICL-BFHYXJOUSA-N 1 0 250.386 2.167 10 0 CEAERO O[C@@H]1CCCC[C@@H]1[NH+]1CCC2(CCOCC2)CC1 ZINC000335071514 296563424 /nfs/dbraw/zinc/56/34/24/296563424.db2.gz OCXBYTNWEANXBU-UONOGXRCSA-N 1 0 253.386 2.183 10 0 CEAERO Cc1ccc(NC(=O)C2CCC([NH3+])CC2)c(C)c1O ZINC000037629604 400117433 /nfs/dbraw/zinc/11/74/33/400117433.db2.gz XYSJIYRAMXDILQ-UHFFFAOYSA-N 1 0 262.353 2.465 10 0 CEAERO C[C@@H]([NH3+])CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000037608357 400117870 /nfs/dbraw/zinc/11/78/70/400117870.db2.gz OTQDQGYXOLDKFZ-NEPJUHHUSA-N 1 0 260.381 2.480 10 0 CEAERO CC[C@@H]([NH3+])C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000036871077 400112999 /nfs/dbraw/zinc/11/29/99/400112999.db2.gz MICIWSJWRKYDNE-MFRLZJNGSA-N 1 0 264.413 2.445 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(OCC)cc1 ZINC000037046184 400115105 /nfs/dbraw/zinc/11/51/05/400115105.db2.gz FJBMUUXJUCBYRU-SMDDNHRTSA-N 1 0 264.369 2.390 10 0 CEAERO CN(CCOc1ccc(F)cc1)C(=O)C1CCC([NH3+])CC1 ZINC000037802192 400120501 /nfs/dbraw/zinc/12/05/01/400120501.db2.gz MOUXCFVBIPAVBL-UHFFFAOYSA-N 1 0 294.370 2.180 10 0 CEAERO CCc1cccc(OC[C@H](O)C[NH2+]CC[C@@H]2CCCO2)c1 ZINC000038096599 400123494 /nfs/dbraw/zinc/12/34/94/400123494.db2.gz PDIXKMSFMLNMAZ-CVEARBPZSA-N 1 0 293.407 2.147 10 0 CEAERO [NH3+]Cc1cn(Cc2cc(Cl)ccc2OC(F)F)nn1 ZINC000050224964 400238355 /nfs/dbraw/zinc/23/83/55/400238355.db2.gz IVYGZMUENCBKLT-UHFFFAOYSA-N 1 0 288.685 2.040 10 0 CEAERO CCOCC[N@@H+]1CCN(c2ccnc(Cl)c2)C[C@@H]1C ZINC000125510011 400278172 /nfs/dbraw/zinc/27/81/72/400278172.db2.gz PDGVGTQLWVRACV-LBPRGKRZSA-N 1 0 283.803 2.282 10 0 CEAERO CC(C)[NH2+]CCC(=O)N[C@@H](C)COCc1ccccc1 ZINC000390712101 400540959 /nfs/dbraw/zinc/54/09/59/400540959.db2.gz ARTUVDHKBBDDFI-AWEZNQCLSA-N 1 0 278.396 2.096 10 0 CEAERO CC(C)CC1(CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000392122161 400543207 /nfs/dbraw/zinc/54/32/07/400543207.db2.gz WYJBAVQVGFQPRI-QWHCGFSZSA-N 1 0 252.402 2.304 10 0 CEAERO c1csc([C@H]2CSCCN2C[C@H]2CCC[NH2+]C2)n1 ZINC000261949799 296641711 /nfs/dbraw/zinc/64/17/11/296641711.db2.gz NVKQNFFUMGEGOT-NWDGAFQWSA-N 1 0 283.466 2.233 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]C2CCSCC2)C12CCOCC2 ZINC000186396806 286277597 /nfs/dbraw/zinc/27/75/97/286277597.db2.gz NXCLZVNNNAMFHG-ZIAGYGMSSA-N 1 0 285.453 2.446 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]CC(C)(C)C[C@@H](C)O)C12CCOCC2 ZINC000186413716 286278564 /nfs/dbraw/zinc/27/85/64/286278564.db2.gz BHSMUIACMCFWPV-RBSFLKMASA-N 1 0 299.455 2.347 10 0 CEAERO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N(CC2CC2)CC2CC2)C1(C)C ZINC000157296338 286304785 /nfs/dbraw/zinc/30/47/85/286304785.db2.gz XECBGEAHZMOPBA-RHSMWYFYSA-N 1 0 294.439 2.168 10 0 CEAERO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)NC(C)C)C12CCCC2 ZINC000121236621 286331794 /nfs/dbraw/zinc/33/17/94/286331794.db2.gz YGWSAIQYJGHULY-UONOGXRCSA-N 1 0 282.428 2.181 10 0 CEAERO CC(C)[NH+](CCCNC(=O)[C@H]1CCCO[C@@H]1C)C(C)C ZINC000188654516 153064708 /nfs/dbraw/zinc/06/47/08/153064708.db2.gz ALQASUUPPREPCY-CABCVRRESA-N 1 0 284.444 2.427 10 0 CEAERO Cc1ccccc1CCC[N@@H+]1CCCNC(=O)[C@H]1C ZINC000189295620 153090606 /nfs/dbraw/zinc/09/06/06/153090606.db2.gz XVGMZLTXHMXJQP-CQSZACIVSA-N 1 0 260.381 2.138 10 0 CEAERO FC(F)C(F)(F)COCCN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000189683471 153107904 /nfs/dbraw/zinc/10/79/04/153107904.db2.gz JDUUGYCMACFIOC-NSHDSACASA-N 1 0 298.324 2.074 10 0 CEAERO CCn1nccc1C[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000190286627 153122213 /nfs/dbraw/zinc/12/22/13/153122213.db2.gz LHSORUMIWSUCKG-ZFWWWQNUSA-N 1 0 291.420 2.172 10 0 CEAERO CCCC(=O)N[C@H]1CCC[N@H+](C[C@H](O)CC2CCCC2)C1 ZINC000190500275 153131635 /nfs/dbraw/zinc/13/16/35/153131635.db2.gz XVIRHUJWVQATFW-JKSUJKDBSA-N 1 0 296.455 2.308 10 0 CEAERO Cn1cc([C@H]2CCC[N@@H+]2C[C@H](O)CC2CCCC2)cn1 ZINC000191333651 153169150 /nfs/dbraw/zinc/16/91/50/153169150.db2.gz XYMBLBRQXKLRJY-HZPDHXFCSA-N 1 0 277.412 2.498 10 0 CEAERO C[C@H]([NH2+]CCN1C(=O)CCC1=O)c1ccc(Cl)s1 ZINC000193116524 153227454 /nfs/dbraw/zinc/22/74/54/153227454.db2.gz HNTRMMWWGWUXOY-QMMMGPOBSA-N 1 0 286.784 2.201 10 0 CEAERO c1[nH]nc2c1C[C@@H]([NH2+]CCCc1ccc3c(c1)CCO3)CC2 ZINC000193297618 153231671 /nfs/dbraw/zinc/23/16/71/153231671.db2.gz MGTJBYNFPWPFNW-INIZCTEOSA-N 1 0 297.402 2.424 10 0 CEAERO CCc1nnc(C[N@H+](C)C2CCC(C)CC2)n1C ZINC000195030793 153270621 /nfs/dbraw/zinc/27/06/21/153270621.db2.gz IEPWZQINQHRIHE-UHFFFAOYSA-N 1 0 250.390 2.388 10 0 CEAERO O=C(c1ccc2ccccc2n1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195313811 153281549 /nfs/dbraw/zinc/28/15/49/153281549.db2.gz ULAQHTSAEJRFPI-CQSZACIVSA-N 1 0 281.359 2.155 10 0 CEAERO CCn1cc(C2CC[NH+](CCSC)CC2)cn1 ZINC000195513057 153290340 /nfs/dbraw/zinc/29/03/40/153290340.db2.gz HOJDQYFBZXRWGW-UHFFFAOYSA-N 1 0 253.415 2.445 10 0 CEAERO CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195507998 153291865 /nfs/dbraw/zinc/29/18/65/153291865.db2.gz BVUVBZXMVKEDFD-QWHCGFSZSA-N 1 0 292.427 2.282 10 0 CEAERO Cc1nc(C[C@@H]2CCC[N@H+](Cc3cccnc3)C2)no1 ZINC000195518181 153292518 /nfs/dbraw/zinc/29/25/18/153292518.db2.gz VACNVNDJLKEMGP-ZDUSSCGKSA-N 1 0 272.352 2.228 10 0 CEAERO CC(C)COCCN1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000222920856 153316960 /nfs/dbraw/zinc/31/69/60/153316960.db2.gz DBTWEOKFMJOICM-GJZGRUSLSA-N 1 0 254.418 2.218 10 0 CEAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000223147523 153318655 /nfs/dbraw/zinc/31/86/55/153318655.db2.gz YHAVQLFBQVKALF-KFWWJZLASA-N 1 0 267.461 2.178 10 0 CEAERO Cc1cc(C(=O)CN2C[C@H]3CCCC[N@H+]3C[C@H]2C)c(C)[nH]1 ZINC000227409984 153342851 /nfs/dbraw/zinc/34/28/51/153342851.db2.gz RSKXUVLHALWJLH-UKRRQHHQSA-N 1 0 289.423 2.373 10 0 CEAERO Cc1nn(C)c(Cl)c1CN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000228067792 153354102 /nfs/dbraw/zinc/35/41/02/153354102.db2.gz IXEFQNLAWIITJD-ZYHUDNBSSA-N 1 0 282.819 2.050 10 0 CEAERO CC[N@@H+]1CCC[C@H](Nc2nc(C(F)(F)F)ns2)C1 ZINC000228775474 153367352 /nfs/dbraw/zinc/36/73/52/153367352.db2.gz GWJASWSDBZJSKM-ZETCQYMHSA-N 1 0 280.319 2.453 10 0 CEAERO COc1ccc([C@H]2[NH2+]C[C@@H](O)c3cc(O)ccc32)cc1 ZINC000031273453 286379961 /nfs/dbraw/zinc/37/99/61/286379961.db2.gz DVQHCBGOTACKAX-HZPDHXFCSA-N 1 0 271.316 2.127 10 0 CEAERO OC[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@@H]1c1ccsc1 ZINC000249594432 153704731 /nfs/dbraw/zinc/70/47/31/153704731.db2.gz WKZQELAEBHJKMW-SOUVJXGZSA-N 1 0 281.421 2.325 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2nccn2C)C12CCOCC2 ZINC000186304301 286395855 /nfs/dbraw/zinc/39/58/55/286395855.db2.gz NAWOZIGOVGRRJE-MELADBBJSA-N 1 0 293.411 2.045 10 0 CEAERO O=C(CC[C@H]1CCC[NH2+]1)Nc1ccc2c[nH]nc2c1 ZINC000261617594 153790895 /nfs/dbraw/zinc/79/08/95/153790895.db2.gz UEEZZWABIIJNSM-LLVKDONJSA-N 1 0 258.325 2.034 10 0 CEAERO [NH3+][C@H]1CCCN(Cc2cnc(C(F)(F)F)s2)C1 ZINC000261766598 153836900 /nfs/dbraw/zinc/83/69/00/153836900.db2.gz DKFHXCZPZZMLIU-ZETCQYMHSA-N 1 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CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc2c1OCO2 ZINC000182075400 165363622 /nfs/dbraw/zinc/36/36/22/165363622.db2.gz ZZXYIQPOZHPODQ-HUUCEWRRSA-N 1 0 288.391 2.474 10 0 CEAERO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](CCOC)C(C)C ZINC000182231061 165365404 /nfs/dbraw/zinc/36/54/04/165365404.db2.gz IPVJTVLBMHGUKI-STQMWFEESA-N 1 0 280.416 2.326 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1sccc1COC ZINC000182272253 165370033 /nfs/dbraw/zinc/37/00/33/165370033.db2.gz DHHGDGNUXGYHKS-ZDUSSCGKSA-N 1 0 296.436 2.451 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(C)(C)OC ZINC000336784583 287224496 /nfs/dbraw/zinc/22/44/96/287224496.db2.gz RWWGGCIXLROCHX-ZIAGYGMSSA-N 1 0 254.418 2.360 10 0 CEAERO COc1cc(N[C@@H](C)CCC[NH3+])c2[nH]cccc-2c1=O ZINC000006020571 170169264 /nfs/dbraw/zinc/16/92/64/170169264.db2.gz DSLJJFGEELXSAL-JTQLQIEISA-N 1 0 275.352 2.028 10 0 CEAERO COc1cc(N[C@H](C)CCC[NH3+])c2[nH]cccc-2c1=O ZINC000006036374 170170187 /nfs/dbraw/zinc/17/01/87/170170187.db2.gz DSLJJFGEELXSAL-SNVBAGLBSA-N 1 0 275.352 2.028 10 0 CEAERO Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000284337240 196033816 /nfs/dbraw/zinc/03/38/16/196033816.db2.gz BYOWABIPLBYZHN-CVEARBPZSA-N 1 0 278.371 2.039 10 0 CEAERO CN(C)c1ncc(C[NH2+]Cc2cccc(Cl)c2)cn1 ZINC000009740789 170385413 /nfs/dbraw/zinc/38/54/13/170385413.db2.gz VLLLUHZAKGTPLX-UHFFFAOYSA-N 1 0 276.771 2.486 10 0 CEAERO COCCOC[C@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000019263717 170763383 /nfs/dbraw/zinc/76/33/83/170763383.db2.gz HMLOHKQFWHEITP-IHXHZNKUSA-N 1 0 253.386 2.193 10 0 CEAERO COc1cccc(C(=O)N(CC[NH3+])C2CCCCC2)c1 ZINC000020183540 171046439 /nfs/dbraw/zinc/04/64/39/171046439.db2.gz HUQGWIOMAPSMFR-UHFFFAOYSA-N 1 0 276.380 2.429 10 0 CEAERO Cc1ccc(NS(=O)(=O)c2ccc(F)c(C[NH3+])c2)cc1 ZINC000020189215 171054710 /nfs/dbraw/zinc/05/47/10/171054710.db2.gz AILKZBJZWUYOGP-UHFFFAOYSA-N 1 0 294.351 2.394 10 0 CEAERO C=COCCC[NH2+]Cc1ccc(O)c(OCC)c1 ZINC000020197060 171061352 /nfs/dbraw/zinc/06/13/52/171061352.db2.gz BMPPNQUOMAOMQA-UHFFFAOYSA-N 1 0 251.326 2.431 10 0 CEAERO CC(=O)c1c(F)cccc1N1CCC[N@@H+](C)CC1 ZINC000020217761 171080816 /nfs/dbraw/zinc/08/08/16/171080816.db2.gz IRGIKDGPNYBCTR-UHFFFAOYSA-N 1 0 250.317 2.170 10 0 CEAERO COc1ccccc1-c1csc(CN2CC[NH2+]CC2)n1 ZINC000020221729 171083161 /nfs/dbraw/zinc/08/31/61/171083161.db2.gz AUAALHAWMCCGOK-UHFFFAOYSA-N 1 0 289.404 2.224 10 0 CEAERO COc1ccccc1N(CC[NH3+])Cc1cccnc1 ZINC000020238600 171097001 /nfs/dbraw/zinc/09/70/01/171097001.db2.gz CAKVLWMFLFCRNT-UHFFFAOYSA-N 1 0 257.337 2.056 10 0 CEAERO Cc1ccc(CN(C)C(=O)[C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000020264790 171122230 /nfs/dbraw/zinc/12/22/30/171122230.db2.gz CJSUVVSEQWYZNE-HIFRSBDPSA-N 1 0 260.381 2.342 10 0 CEAERO [NH3+]CCc1nc(-c2cccc(Br)c2)no1 ZINC000020268702 171124657 /nfs/dbraw/zinc/12/46/57/171124657.db2.gz UPELTQOJMGNSSZ-UHFFFAOYSA-N 1 0 268.114 2.000 10 0 CEAERO Cc1csc(Cc2nc(C)c(CC[NH3+])s2)n1 ZINC000020273839 171130753 /nfs/dbraw/zinc/13/07/53/171130753.db2.gz JCTUOMMDEXMCFO-UHFFFAOYSA-N 1 0 253.396 2.308 10 0 CEAERO CCN(CC)C(=O)[C@H](C)[NH2+]Cc1ccc(OC)cc1 ZINC000020364379 171162795 /nfs/dbraw/zinc/16/27/95/171162795.db2.gz QWKBCZZGBVDEOT-LBPRGKRZSA-N 1 0 264.369 2.042 10 0 CEAERO CCC[C@H](C)NC(=O)[C@H](C)NCC[NH+](C(C)C)C(C)C ZINC000020365921 171164670 /nfs/dbraw/zinc/16/46/70/171164670.db2.gz QZRLTPLWDUWBQX-GJZGRUSLSA-N 1 0 285.476 2.388 10 0 CEAERO [NH3+]CCc1csc(CCOc2cccc(F)c2)n1 ZINC000020399210 171181666 /nfs/dbraw/zinc/18/16/66/171181666.db2.gz ZQIZHOLQGCIRBI-UHFFFAOYSA-N 1 0 266.341 2.405 10 0 CEAERO C[C@H]([NH3+])c1ccccc1O[C@@H](C)C(=O)NC(C)(C)C ZINC000020419502 171184652 /nfs/dbraw/zinc/18/46/52/171184652.db2.gz MGWLKKFNKHJKKF-QWRGUYRKSA-N 1 0 264.369 2.388 10 0 CEAERO CC[C@H]([NH3+])c1ccccc1O[C@H](C)C(=O)NC1CC1 ZINC000020419921 171185267 /nfs/dbraw/zinc/18/52/67/171185267.db2.gz XEZSRSZESBNOSD-MFKMUULPSA-N 1 0 262.353 2.142 10 0 CEAERO O=C(CC1CC[NH2+]CC1)Nc1c(F)cccc1F ZINC000020476462 171221289 /nfs/dbraw/zinc/22/12/89/171221289.db2.gz MXBKUWGZOUEYIH-UHFFFAOYSA-N 1 0 254.280 2.293 10 0 CEAERO CC(C)[C@@H](C)NS(=O)(=O)c1cccc([C@H](C)[NH3+])c1 ZINC000020523652 171236076 /nfs/dbraw/zinc/23/60/76/171236076.db2.gz NJLMCPAPWDQISR-WDEREUQCSA-N 1 0 270.398 2.029 10 0 CEAERO COC(C)(C)C[C@H](C)[NH2+]Cc1nnc2ccccn21 ZINC000020524714 171237847 /nfs/dbraw/zinc/23/78/47/171237847.db2.gz VODIFTUALHTXLR-NSHDSACASA-N 1 0 262.357 2.023 10 0 CEAERO O=C(C[C@H]1CCCC[NH2+]1)NCCc1ccc(F)cc1 ZINC000020597248 171266015 /nfs/dbraw/zinc/26/60/15/171266015.db2.gz FNYDQFFUXVZJTJ-CQSZACIVSA-N 1 0 264.344 2.017 10 0 CEAERO CCC[C@H](C)NS(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000021515402 171311835 /nfs/dbraw/zinc/31/18/35/171311835.db2.gz BRMWWJACKAJTIN-WDEREUQCSA-N 1 0 270.398 2.173 10 0 CEAERO CC1CCC(NS(=O)(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000022209417 171372871 /nfs/dbraw/zinc/37/28/71/171372871.db2.gz HIGITWFMTYDJHQ-UHFFFAOYSA-N 1 0 282.409 2.002 10 0 CEAERO COc1ccc(NC(=O)C[N@H+](C)C2CCCCC2)c(N)c1 ZINC000022209362 171373170 /nfs/dbraw/zinc/37/31/70/171373170.db2.gz SSCLLKCIFURSNW-UHFFFAOYSA-N 1 0 291.395 2.480 10 0 CEAERO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1N)[NH+](C)C ZINC000022210573 171373560 /nfs/dbraw/zinc/37/35/60/171373560.db2.gz DLKQYSQKBWVOOQ-ZETCQYMHSA-N 1 0 275.274 2.176 10 0 CEAERO [NH3+]Cc1ccc(NC(=O)Cc2ccccc2F)cc1 ZINC000022213029 171374376 /nfs/dbraw/zinc/37/43/76/171374376.db2.gz FBMKCIAVCSKETK-UHFFFAOYSA-N 1 0 258.296 2.466 10 0 CEAERO C[C@H](NC(=O)COc1ccc(C[NH3+])cc1)c1ccccc1 ZINC000022215957 171375864 /nfs/dbraw/zinc/37/58/64/171375864.db2.gz DAYXFYFFKCRNFZ-ZDUSSCGKSA-N 1 0 284.359 2.402 10 0 CEAERO C[C@H]1[C@H](NS(=O)(=O)c2ccc(C[NH3+])cc2)CCC[C@@H]1C ZINC000022218374 171376789 /nfs/dbraw/zinc/37/67/89/171376789.db2.gz LNGKDXAKLPAGLJ-YWPYICTPSA-N 1 0 296.436 2.248 10 0 CEAERO CC(C)(C)c1ccc([C@@H]([NH3+])CN2C(=O)CCC2=O)cc1 ZINC000022564474 171392029 /nfs/dbraw/zinc/39/20/29/171392029.db2.gz BYUNGNGABHEGGQ-ZDUSSCGKSA-N 1 0 274.364 2.133 10 0 CEAERO CC[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000032113330 171706934 /nfs/dbraw/zinc/70/69/34/171706934.db2.gz FJTJQUGXOPGCID-VIFPVBQESA-N 1 0 264.152 2.343 10 0 CEAERO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CCN(C)C ZINC000035161785 172021127 /nfs/dbraw/zinc/02/11/27/172021127.db2.gz JYDVNNXZKUWCAM-UHFFFAOYSA-N 1 0 272.396 2.140 10 0 CEAERO CCC(=O)Nc1cccc(NC(=O)[C@@H]2CCC[NH2+]2)c1C ZINC000035229904 172070539 /nfs/dbraw/zinc/07/05/39/172070539.db2.gz WBZOBKPKZSEZHA-ZDUSSCGKSA-N 1 0 275.352 2.034 10 0 CEAERO C[C@H]([NH2+][C@H]1CCS(=O)(=O)C1)c1ccc(Cl)s1 ZINC000035285647 172104003 /nfs/dbraw/zinc/10/40/03/172104003.db2.gz HEFZCHPMCWAMNB-YUMQZZPRSA-N 1 0 279.814 2.239 10 0 CEAERO Cc1nc2cc(NCC[NH+](C)C)c(N)cc2s1 ZINC000035342437 172134741 /nfs/dbraw/zinc/13/47/41/172134741.db2.gz IVOOZWSRSGDLHV-UHFFFAOYSA-N 1 0 250.371 2.160 10 0 CEAERO C[C@H]([NH3+])c1ccc2ccccc2c1OCC(=O)N(C)C ZINC000035427351 172194586 /nfs/dbraw/zinc/19/45/86/172194586.db2.gz SEKQXSMZIOVROP-NSHDSACASA-N 1 0 272.348 2.327 10 0 CEAERO CCC[NH2+]Cc1c(N(C)C2CC2)nc2sccn12 ZINC000035430079 172198201 /nfs/dbraw/zinc/19/82/01/172198201.db2.gz VUPFLKJWRSAFHT-UHFFFAOYSA-N 1 0 264.398 2.494 10 0 CEAERO CN(Cc1ccccc1)c1nc2sccn2c1C[NH3+] ZINC000035429756 172198330 /nfs/dbraw/zinc/19/83/30/172198330.db2.gz IGCQOSMBRHWISS-UHFFFAOYSA-N 1 0 272.377 2.491 10 0 CEAERO C[NH2+][C@@H](c1ccoc1C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000035488368 172223304 /nfs/dbraw/zinc/22/33/04/172223304.db2.gz MCCMLPJYZQFFDC-CYBMUJFWSA-N 1 0 257.293 2.066 10 0 CEAERO CC[NH2+][C@@H](c1ccc2c(c1)OCCO2)[C@@H]1CCCO1 ZINC000035545071 172252608 /nfs/dbraw/zinc/25/26/08/172252608.db2.gz UMLQAGABJNMJPQ-ZFWWWQNUSA-N 1 0 263.337 2.287 10 0 CEAERO CC(C)(C)OC(=O)N1C[C@H]([NH3+])[C@@H](c2ccccc2F)C1 ZINC000035571755 172267708 /nfs/dbraw/zinc/26/77/08/172267708.db2.gz WKQFPVZPKMAOHI-YPMHNXCESA-N 1 0 280.343 2.487 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NC2CCCC2)cc1 ZINC000035632903 172316005 /nfs/dbraw/zinc/31/60/05/172316005.db2.gz XORXBGQDPJHXCW-NSHDSACASA-N 1 0 282.409 2.188 10 0 CEAERO CCNC(=O)[C@@H](C)Oc1c(Cl)cc(Cl)cc1C[NH3+] ZINC000035661889 172339181 /nfs/dbraw/zinc/33/91/81/172339181.db2.gz PFIOZOLDWSIADC-SSDOTTSWSA-N 1 0 291.178 2.356 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1Sc1nnc2n1CCCCC2 ZINC000035723927 172379483 /nfs/dbraw/zinc/37/94/83/172379483.db2.gz NYDYPEQDSWUOPC-GHMZBOCLSA-N 1 0 266.414 2.224 10 0 CEAERO O=S1(=O)CCC[C@@H]([NH2+]C2CC2)c2ccccc21 ZINC000035760546 172398917 /nfs/dbraw/zinc/39/89/17/172398917.db2.gz XYUJMDXARNYQNV-GFCCVEGCSA-N 1 0 251.351 2.047 10 0 CEAERO CC[NH2+][C@H]1CCS(=O)(=O)c2c(Cl)cccc21 ZINC000035761240 172399480 /nfs/dbraw/zinc/39/94/80/172399480.db2.gz FZYAKAPRZQINRS-JTQLQIEISA-N 1 0 259.758 2.168 10 0 CEAERO CC[NH2+][C@@H]1c2cc(Cl)ccc2S(=O)(=O)C[C@H]1C ZINC000035760910 172399599 /nfs/dbraw/zinc/39/95/99/172399599.db2.gz CFGLDJRGASSOOT-PELKAZGASA-N 1 0 273.785 2.414 10 0 CEAERO [NH3+]CCCc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000036093367 172437113 /nfs/dbraw/zinc/43/71/13/172437113.db2.gz GTXNQXVWASTZFN-UHFFFAOYSA-N 1 0 290.388 2.379 10 0 in-vivo CEAERO COc1ccc([C@@H](O)[C@@H]2CCC[NH2+]2)cc1Br ZINC000036176952 172496348 /nfs/dbraw/zinc/49/63/48/172496348.db2.gz CYPIOGRNLFNASU-CMPLNLGQSA-N 1 0 286.169 2.243 10 0 CEAERO O=C(N[C@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000036287450 172582870 /nfs/dbraw/zinc/58/28/70/172582870.db2.gz BCZJNVXTDCXSDB-MJBXVCDLSA-N 1 0 250.386 2.071 10 0 CEAERO CCCCNC(=O)N(CCC[NH3+])C1CCCCC1 ZINC000036731717 172663410 /nfs/dbraw/zinc/66/34/10/172663410.db2.gz VFTUULFNZVGTET-UHFFFAOYSA-N 1 0 255.406 2.480 10 0 CEAERO Cc1cc(Cl)c(CN2CC[NH2+]CC2)c(Cl)n1 ZINC000036946234 172821665 /nfs/dbraw/zinc/82/16/65/172821665.db2.gz RPTQWTUFJABUND-UHFFFAOYSA-N 1 0 260.168 2.102 10 0 CEAERO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1cc(C(=O)NC)ccc1Cl ZINC000037030391 172897525 /nfs/dbraw/zinc/89/75/25/172897525.db2.gz NTCJIAKPBWEABE-UFBFGSQYSA-N 1 0 297.786 2.012 10 0 CEAERO CCCCCN(C)S(=O)(=O)c1ccc(C[NH3+])s1 ZINC000037172083 173005353 /nfs/dbraw/zinc/00/53/53/173005353.db2.gz ABDDMYKNOOJOHF-UHFFFAOYSA-N 1 0 276.427 2.018 10 0 CEAERO CCCCCN(C)c1c(C[NH2+]CC)c(C)nn1C ZINC000037171960 173005368 /nfs/dbraw/zinc/00/53/68/173005368.db2.gz MTMGXCWWAPTEKC-UHFFFAOYSA-N 1 0 252.406 2.464 10 0 CEAERO Cc1nc2sccn2c1C[NH2+]C1CCC(O)CC1 ZINC000037201825 173025350 /nfs/dbraw/zinc/02/53/50/173025350.db2.gz FAHXVIYQXMYUKT-UHFFFAOYSA-N 1 0 265.382 2.097 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCS(=O)(=O)c2ccccc21)[C@H]1CCCO1 ZINC000037242385 173058396 /nfs/dbraw/zinc/05/83/96/173058396.db2.gz HZIHQXZOVANSQW-IACUBPJLSA-N 1 0 295.404 2.062 10 0 CEAERO CC(C)C[C@@H](C)NS(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000037265488 173074237 /nfs/dbraw/zinc/07/42/37/173074237.db2.gz WGXIMKGXGOEVDJ-VXGBXAGGSA-N 1 0 284.425 2.419 10 0 CEAERO CCCN(CCC[NH3+])C(=O)CCOc1ccccc1 ZINC000037298883 173103011 /nfs/dbraw/zinc/10/30/11/173103011.db2.gz FZKSJMLLPFLJJR-UHFFFAOYSA-N 1 0 264.369 2.043 10 0 CEAERO C[N@H+]([C@@H](CN)c1ccc2c(c1)CCO2)C1CCCC1 ZINC000037363758 173152437 /nfs/dbraw/zinc/15/24/37/173152437.db2.gz UKXZDEVUBKKNQI-HNNXBMFYSA-N 1 0 260.381 2.496 10 0 CEAERO CCC[NH2+]C[C@H](O)COc1ccc(OCCC)cc1 ZINC000037372635 173162130 /nfs/dbraw/zinc/16/21/30/173162130.db2.gz GAUROAPMFPFWAN-ZDUSSCGKSA-N 1 0 267.369 2.215 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)Nc1ccc(OC)c(OC)c1 ZINC000037386422 173169441 /nfs/dbraw/zinc/16/94/41/173169441.db2.gz LPDRKHITFAIBTA-JTQLQIEISA-N 1 0 266.341 2.030 10 0 CEAERO CC(C)[NH2+]CC(=O)Nc1ccccc1OC(F)F ZINC000037386979 173170721 /nfs/dbraw/zinc/17/07/21/173170721.db2.gz ZLHKKPWMDWLMHQ-UHFFFAOYSA-N 1 0 258.268 2.225 10 0 CEAERO CCOc1ccc(C[NH2+]CCCC(=O)OC)cc1 ZINC000037395206 173175217 /nfs/dbraw/zinc/17/52/17/173175217.db2.gz SNTGJWNUPPWGDI-UHFFFAOYSA-N 1 0 251.326 2.128 10 0 CEAERO CCn1c2ccc(Cl)cc2nc1[C@@H]([NH3+])[C@@H](C)O ZINC000037440419 173210491 /nfs/dbraw/zinc/21/04/91/173210491.db2.gz UAPLLFLHTXDLCX-HQJQHLMTSA-N 1 0 253.733 2.090 10 0 CEAERO Cc1ccc(Br)cc1N1CC[C@H]([NH3+])C1 ZINC000037483695 173228522 /nfs/dbraw/zinc/22/85/22/173228522.db2.gz RINBXDQVLBDXMI-JTQLQIEISA-N 1 0 255.159 2.295 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)N(CCOC)Cc1ccccc1 ZINC000037495616 173235150 /nfs/dbraw/zinc/23/51/50/173235150.db2.gz GCOMFOOKCKUZLS-AWEZNQCLSA-N 1 0 278.396 2.050 10 0 CEAERO CCN(C(=O)c1ccc(F)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000037541050 173262790 /nfs/dbraw/zinc/26/27/90/173262790.db2.gz PQKICOJKKJQGLS-LLVKDONJSA-N 1 0 268.307 2.179 10 0 CEAERO CC(C)CN(CC(F)(F)F)C(=O)[C@@H]([NH3+])C(C)C ZINC000037813263 173759942 /nfs/dbraw/zinc/75/99/42/173759942.db2.gz VVEDUCDVSHEJEI-VIFPVBQESA-N 1 0 254.296 2.017 10 0 CEAERO CCC[C@](C)([NH3+])C(=O)N(Cc1cccnc1)C(C)C ZINC000037822224 173775720 /nfs/dbraw/zinc/77/57/20/173775720.db2.gz YHYVTHURRPLVFS-HNNXBMFYSA-N 1 0 263.385 2.336 10 0 CEAERO CCC[C@H](C)C(=O)N1CCC[C@H]1C1CC[NH2+]CC1 ZINC000037916091 173851037 /nfs/dbraw/zinc/85/10/37/173851037.db2.gz UHRROXXECZEELE-JSGCOSHPSA-N 1 0 252.402 2.413 10 0 CEAERO O[C@H](C[NH2+]C[C@@H]1CCCOC1)COc1ccccc1Cl ZINC000038045352 174053708 /nfs/dbraw/zinc/05/37/08/174053708.db2.gz OXKOGQSPZAIEIW-QWHCGFSZSA-N 1 0 299.798 2.096 10 0 CEAERO c1ccc(Cc2noc(C[NH2+]C[C@@H]3CCCOC3)n2)cc1 ZINC000038045630 174054079 /nfs/dbraw/zinc/05/40/79/174054079.db2.gz MAEFPESBQXFTCX-AWEZNQCLSA-N 1 0 287.363 2.177 10 0 CEAERO COc1ccc(/C=C/C(=O)N[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000038049128 174059729 /nfs/dbraw/zinc/05/97/29/174059729.db2.gz LVHQRWMKZPINEN-QBKVNLCDSA-N 1 0 274.364 2.095 10 0 CEAERO CC(C)(C(=O)N[C@H]1CCCC[C@H]1[NH3+])c1ccccc1 ZINC000038049361 174060502 /nfs/dbraw/zinc/06/05/02/174060502.db2.gz YHZRMDQAGSLGIZ-KGLIPLIRSA-N 1 0 260.381 2.350 10 0 CEAERO COc1ccc(NC(=O)N[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000038049870 174061257 /nfs/dbraw/zinc/06/12/57/174061257.db2.gz FBXUVNIDOAZLJW-OLZOCXBDSA-N 1 0 263.341 2.087 10 0 CEAERO COc1ccccc1CN(C)C(=O)c1ccc(C[NH3+])cc1 ZINC000038059149 174069399 /nfs/dbraw/zinc/06/93/99/174069399.db2.gz MQTSKUJUNIWBGH-UHFFFAOYSA-N 1 0 284.359 2.426 10 0 CEAERO CC[C@@H](C)[NH2+][C@@](C)(C(N)=O)c1ccc(F)c(F)c1 ZINC000038065550 174076394 /nfs/dbraw/zinc/07/63/94/174076394.db2.gz OUXGOBVCGBOZNS-AMIZOPFISA-N 1 0 256.296 2.053 10 0 CEAERO CCN(C(=O)Nc1cccc(F)c1)C1CC[NH2+]CC1 ZINC000038076594 174086877 /nfs/dbraw/zinc/08/68/77/174086877.db2.gz IVUVEDUHXDKGDG-UHFFFAOYSA-N 1 0 265.332 2.432 10 0 CEAERO CCC[NH2+][C@@H](C[C@@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC000038085359 174096099 /nfs/dbraw/zinc/09/60/99/174096099.db2.gz AMYLJLZEYUQMNB-RYUDHWBXSA-N 1 0 261.431 2.226 10 0 CEAERO CCOc1cccc(C[NH2+]C[C@@H](C)N(C)C)c1OC ZINC000038087591 174099181 /nfs/dbraw/zinc/09/91/81/174099181.db2.gz JMGKYTHHCKKVFO-GFCCVEGCSA-N 1 0 266.385 2.134 10 0 CEAERO O[C@@H](C[NH2+]CC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000038096738 174110844 /nfs/dbraw/zinc/11/08/44/174110844.db2.gz YIIDXYWBHSNQTM-KBPBESRZSA-N 1 0 253.317 2.018 10 0 CEAERO O=C(Nc1ccccc1O)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000039947527 174176188 /nfs/dbraw/zinc/17/61/88/174176188.db2.gz FYSOHJDRUMJJQE-NTZNESFSSA-N 1 0 260.337 2.251 10 0 CEAERO C[C@H]([NH2+][C@@H](C)[C@@H]1C[C@@H]2CC[C@H]1C2)C(=O)NC1CC1 ZINC000040176548 174201277 /nfs/dbraw/zinc/20/12/77/174201277.db2.gz IQDMBUXPNLTTQD-HNRZYHPDSA-N 1 0 250.386 2.068 10 0 CEAERO C[C@H]([NH2+][C@@H](C)[C@@H]1C[C@@H]2CC[C@H]1C2)C(=O)N1CCCC1 ZINC000040177311 174202370 /nfs/dbraw/zinc/20/23/70/174202370.db2.gz FCAVOSMDMOVSPO-RMEBNNNOSA-N 1 0 264.413 2.412 10 0 CEAERO CCN(CC)C(=O)C[NH2+][C@@H](C)COc1ccc(C)cc1 ZINC000040499888 174296400 /nfs/dbraw/zinc/29/64/00/174296400.db2.gz QMZVIQBBQLIOOM-AWEZNQCLSA-N 1 0 278.396 2.220 10 0 CEAERO CCN1CCC[C@H]([NH2+]Cc2cnn(C(C)(C)C)c2)C1 ZINC000040502959 174299083 /nfs/dbraw/zinc/29/90/83/174299083.db2.gz APUKEIJVWHODKB-AWEZNQCLSA-N 1 0 264.417 2.212 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2ccc(S(=O)(=O)CC)cc2)C1 ZINC000040503126 174299512 /nfs/dbraw/zinc/29/95/12/174299512.db2.gz ULAMKHAZGKWJQF-CQSZACIVSA-N 1 0 296.436 2.376 10 0 CEAERO CCCCCCOC[C@@H](O)C[NH2+]CCOCCCC ZINC000040507158 174302938 /nfs/dbraw/zinc/30/29/38/174302938.db2.gz LQOPYUDEMXJBOH-HNNXBMFYSA-N 1 0 275.433 2.351 10 0 CEAERO Cc1cc(C)c(C(N)=S)c(N[C@@H](C)[C@H]2CCCO2)[nH+]1 ZINC000040510309 174303868 /nfs/dbraw/zinc/30/38/68/174303868.db2.gz JXJJIZNSMFTURI-WDEREUQCSA-N 1 0 279.409 2.312 10 0 CEAERO Cc1cc(C)c(C[NH3+])c(OCc2ccc3c(c2)OCO3)n1 ZINC000040509648 174303884 /nfs/dbraw/zinc/30/38/84/174303884.db2.gz RHGZSDUCZKXIGI-UHFFFAOYSA-N 1 0 286.331 2.465 10 0 CEAERO COC(=O)C[C@@H](C)[NH2+][C@H](C)c1sc(C)nc1C ZINC000040518626 174308002 /nfs/dbraw/zinc/30/80/02/174308002.db2.gz CERCSJIZHNOHSX-HTQZYQBOSA-N 1 0 256.371 2.362 10 0 CEAERO Cc1nc(C)c([C@@H](C)NC(=O)[C@](C)([NH3+])C2CC2)s1 ZINC000040519118 174308378 /nfs/dbraw/zinc/30/83/78/174308378.db2.gz OEQYYMLWZUAYLH-AMIZOPFISA-N 1 0 267.398 2.065 10 0 CEAERO Cc1nc(C)c([C@H](C)NC(=O)C[NH2+]C2CCCC2)s1 ZINC000040519071 174308733 /nfs/dbraw/zinc/30/87/33/174308733.db2.gz PPTRNHHNPYFCDV-JTQLQIEISA-N 1 0 281.425 2.469 10 0 CEAERO CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)c1sc(C)nc1C ZINC000040519008 174308849 /nfs/dbraw/zinc/30/88/49/174308849.db2.gz BFHLVTYFJPKOKD-HDBBIHSSSA-N 1 0 269.414 2.311 10 0 CEAERO CCC(C)(C)C1CCC(NC(=O)[C@@H]2C[C@@H](OC)C[NH2+]2)CC1 ZINC000040632679 174358810 /nfs/dbraw/zinc/35/88/10/174358810.db2.gz VPFIOEPRGOMXTJ-CVSAEHQPSA-N 1 0 296.455 2.475 10 0 CEAERO CO[C@H]1C[NH2+][C@H](c2nc(-c3ccccc3C)c[nH]2)C1 ZINC000040637845 174361638 /nfs/dbraw/zinc/36/16/38/174361638.db2.gz IWWHVBKSEFUFMV-YPMHNXCESA-N 1 0 257.337 2.435 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](c2nc(-c3ccc(F)cc3F)c[nH]2)C1 ZINC000040637851 174361769 /nfs/dbraw/zinc/36/17/69/174361769.db2.gz SAEMIBPLOBOQGZ-BXKDBHETSA-N 1 0 279.290 2.404 10 0 CEAERO Cn1ccnc1CC[NH2+]Cc1cc2c(c(Cl)c1)OCO2 ZINC000040638997 174363015 /nfs/dbraw/zinc/36/30/15/174363015.db2.gz MZPQOJSRUKIANB-UHFFFAOYSA-N 1 0 293.754 2.135 10 0 CEAERO Cc1ccc(-c2n[nH]cc2C[NH2+]CCc2nccn2C)o1 ZINC000040639282 174363902 /nfs/dbraw/zinc/36/39/02/174363902.db2.gz YPQHHXYUZPQZOA-UHFFFAOYSA-N 1 0 285.351 2.044 10 0 CEAERO CCCCOC(=O)CNC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000040669310 174367865 /nfs/dbraw/zinc/36/78/65/174367865.db2.gz 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ZINC000401698499 414753293 /nfs/dbraw/zinc/75/32/93/414753293.db2.gz LTKPSBPIDFTKAG-LSDHHAIUSA-N 1 0 263.381 2.385 10 0 CEAERO C[C@@H]1C[C@@H](O)C[N@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000401861301 414755311 /nfs/dbraw/zinc/75/53/11/414755311.db2.gz ZCFZPOMDAJCHLW-MGPQQGTHSA-N 1 0 253.386 2.181 10 0 CEAERO [NH3+]CCCCC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000070202139 414770067 /nfs/dbraw/zinc/77/00/67/414770067.db2.gz OBXICVQIQFJBPD-VHSXEESVSA-N 1 0 266.307 2.353 10 0 CEAERO C[C@]1(C(=O)N2CCC(C3CCC3)CC2)CCC[NH2+]1 ZINC000662858529 414778052 /nfs/dbraw/zinc/77/80/52/414778052.db2.gz XUDQXGODADTQEH-OAHLLOKOSA-N 1 0 250.386 2.167 10 0 CEAERO CC[C@@](C)([NH3+])c1noc(-c2cccc3c2OCCO3)n1 ZINC000041151979 174499098 /nfs/dbraw/zinc/49/90/98/174499098.db2.gz NLYSQEVPYQDHTM-CQSZACIVSA-N 1 0 275.308 2.092 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NC[C@H]1CC2CCC1CC2 ZINC000400112623 414747344 /nfs/dbraw/zinc/74/73/44/414747344.db2.gz KYYWCEHZGUIUKM-MMCPYJTDSA-N 1 0 264.413 2.304 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NC(C)(C1CC1)C1CC1 ZINC000662916041 414802418 /nfs/dbraw/zinc/80/24/18/414802418.db2.gz SLNMDYUFLAQFMH-MFKMUULPSA-N 1 0 250.386 2.069 10 0 CEAERO C[NH+](C)CCC(=O)NC1(c2ccc(F)cc2)CCC1 ZINC000041536510 174566382 /nfs/dbraw/zinc/56/63/82/174566382.db2.gz UDGLZDHXIQHTNR-UHFFFAOYSA-N 1 0 264.344 2.273 10 0 CEAERO COc1ccc(C(C)(C)NC(=O)CC[NH+](C)C)cc1OC ZINC000041536462 174566469 /nfs/dbraw/zinc/56/64/69/174566469.db2.gz PSHFHQNJGWAXAE-UHFFFAOYSA-N 1 0 294.395 2.007 10 0 CEAERO CN(C(=O)Cc1ccc(Cl)cc1)[C@@H](C[NH3+])C(F)(F)F ZINC000662974997 414815586 /nfs/dbraw/zinc/81/55/86/414815586.db2.gz CQWHAXDKKAZEQJ-JTQLQIEISA-N 1 0 294.704 2.231 10 0 CEAERO C[C@@H](C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)c1ccccc1 ZINC000662984029 414818963 /nfs/dbraw/zinc/81/89/63/414818963.db2.gz IMNFEVBDADNDNE-KOLCDFICSA-N 1 0 274.286 2.138 10 0 CEAERO Cc1cc(C(=O)N(C)[C@H](C[NH3+])C(F)(F)F)cc(C)c1F ZINC000662985677 414819313 /nfs/dbraw/zinc/81/93/13/414819313.db2.gz XXYMXYIXEMENGW-SNVBAGLBSA-N 1 0 292.276 2.404 10 0 CEAERO CC1(C)CC[C@H]([NH2+]C[C@H](O)COCc2ccco2)C1 ZINC000132423513 414820898 /nfs/dbraw/zinc/82/08/98/414820898.db2.gz FMZFOVIIMVCULK-STQMWFEESA-N 1 0 267.369 2.325 10 0 CEAERO C[C@@H]([NH3+])c1ccc(NC(=O)NCc2cccnc2)cc1 ZINC000041707896 174610720 /nfs/dbraw/zinc/61/07/20/174610720.db2.gz MWMIRPRMXGVHPT-LLVKDONJSA-N 1 0 270.336 2.423 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(NC(=O)N2CCC(CO)CC2)cc1 ZINC000041707647 174610748 /nfs/dbraw/zinc/61/07/48/174610748.db2.gz SJUOMAAQTIIZPY-LBPRGKRZSA-N 1 0 291.395 2.203 10 0 CEAERO CC[N@H+](C)C[C@@H](O)CN[C@@H](C)c1cccc(Cl)c1 ZINC000310796040 414858692 /nfs/dbraw/zinc/85/86/92/414858692.db2.gz WACNKYWRKCJHJX-FZMZJTMJSA-N 1 0 270.804 2.303 10 0 CEAERO Cc1ccc(O)c(NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)c1 ZINC000653134144 414918281 /nfs/dbraw/zinc/91/82/81/414918281.db2.gz OWDLBYPWXYFGNP-RKDXNWHRSA-N 1 0 288.269 2.037 10 0 CEAERO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)CCCC(C)C ZINC000042259793 174668550 /nfs/dbraw/zinc/66/85/50/174668550.db2.gz WGMBCXGSCIMYKB-NEPJUHHUSA-N 1 0 271.405 2.025 10 0 CEAERO CN1CCO[C@H](C[NH2+]C2CCC(C3CCC3)CC2)C1 ZINC000657350002 414877385 /nfs/dbraw/zinc/87/73/85/414877385.db2.gz XGZJKSNXMZPXNV-UYSNPLJNSA-N 1 0 266.429 2.266 10 0 CEAERO Cn1cc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])c2ccccc21 ZINC000653052346 414886375 /nfs/dbraw/zinc/88/63/75/414886375.db2.gz BPMBKYDPNUTOQH-FZMZJTMJSA-N 1 0 271.364 2.036 10 0 CEAERO FC(F)(F)c1ccc(NCC23CC(C2)C[NH2+]3)nc1 ZINC000663271855 414900343 /nfs/dbraw/zinc/90/03/43/414900343.db2.gz ACTQHDKFCQOVNG-UHFFFAOYSA-N 1 0 257.259 2.264 10 0 CEAERO CCc1cc2c(ncnc2NCC23CC(C2)C[NH2+]3)s1 ZINC000663275040 414901352 /nfs/dbraw/zinc/90/13/52/414901352.db2.gz ZORYWGJSLHEGAV-UHFFFAOYSA-N 1 0 274.393 2.418 10 0 CEAERO CC[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CC1 ZINC000653093917 414904525 /nfs/dbraw/zinc/90/45/25/414904525.db2.gz RLKAKWJDTOFJPI-IJLUTSLNSA-N 1 0 292.345 2.423 10 0 CEAERO COCc1nc(CNC[C@@H]2CC[N@@H+]2C(C)(C)C)cs1 ZINC000657522259 414984918 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COc1ccc([C@@H](C[NH3+])n2cc(Br)cn2)cc1 ZINC000042962366 174927507 /nfs/dbraw/zinc/92/75/07/174927507.db2.gz WLYNXGDAPQELKY-GFCCVEGCSA-N 1 0 296.168 2.202 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1ccccc1Cl)N1CCC[C@@H]1CO ZINC000043051850 174960374 /nfs/dbraw/zinc/96/03/74/174960374.db2.gz HTAPULUXRZABOK-GYSYKLTISA-N 1 0 268.788 2.185 10 0 CEAERO C[C@]1(C2CC2)C[N@H+](C[C@@H]2CCC[C@H](O)C2)CCO1 ZINC000661172007 415122556 /nfs/dbraw/zinc/12/25/56/415122556.db2.gz PVVRXRLLNZEBEE-VHDGCEQUSA-N 1 0 253.386 2.038 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Oc1cccc(F)c1)c1cnn(C)c1 ZINC000043234147 174986805 /nfs/dbraw/zinc/98/68/05/174986805.db2.gz KIJZRNPSJOVSHW-KBPBESRZSA-N 1 0 263.316 2.417 10 0 CEAERO Cc1ccc([C@@H](C[NH3+])Sc2nnnn2C2CC2)s1 ZINC000043246420 174990593 /nfs/dbraw/zinc/99/05/93/174990593.db2.gz DBBKZFGMZFWNGX-SNVBAGLBSA-N 1 0 281.410 2.170 10 0 CEAERO C[C@H]([NH3+])[C@H](c1ccc(Br)s1)n1cncn1 ZINC000043263223 174995688 /nfs/dbraw/zinc/99/56/88/174995688.db2.gz MJGYRGFVZHNZMK-IMTBSYHQSA-N 1 0 287.186 2.039 10 0 CEAERO C[NH2+][C@@H](c1ccc(OC(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300709 175001557 /nfs/dbraw/zinc/00/15/57/175001557.db2.gz DWAFASZVPPBHGO-HIFRSBDPSA-N 1 0 297.420 2.169 10 0 CEAERO CCC[NH2+][C@@H](c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043301176 175001986 /nfs/dbraw/zinc/00/19/86/175001986.db2.gz VVDCHLJIVUSFNB-JSGCOSHPSA-N 1 0 285.384 2.301 10 0 CEAERO CC[NH2+][C@@H](c1cccc(OCC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043301073 175002049 /nfs/dbraw/zinc/00/20/49/175002049.db2.gz QHHPFBBJUASOCA-HIFRSBDPSA-N 1 0 297.420 2.171 10 0 CEAERO CC[NH+](CC)C[C@@H](O)CNc1cccc(F)c1C ZINC000043320761 175005637 /nfs/dbraw/zinc/00/56/37/175005637.db2.gz MENSGCOMDQWFHG-LBPRGKRZSA-N 1 0 254.349 2.249 10 0 CEAERO COC(=O)c1ccc(Cl)cc1N[C@H]1CCC[NH2+]C1 ZINC000043325942 175007444 /nfs/dbraw/zinc/00/74/44/175007444.db2.gz SROMKDYKVIORIB-JTQLQIEISA-N 1 0 268.744 2.291 10 0 CEAERO CN(C)C(=O)c1ccc(Cl)cc1N[C@@H]1CCC[NH2+]C1 ZINC000043326787 175008162 /nfs/dbraw/zinc/00/81/62/175008162.db2.gz DCKQVUIPDFQHTF-LLVKDONJSA-N 1 0 281.787 2.206 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccco1)N(C)C1CCOCC1 ZINC000043335321 175010914 /nfs/dbraw/zinc/01/09/14/175010914.db2.gz IONNMBRBOIJUHZ-JSGCOSHPSA-N 1 0 252.358 2.169 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccco1)N(C)C[C@@H]1CCCO1 ZINC000043335725 175011007 /nfs/dbraw/zinc/01/10/07/175011007.db2.gz HJOMVIMIMILCNJ-SGMGOOAPSA-N 1 0 252.358 2.169 10 0 CEAERO CCC(CC)N(CCO)[C@H](c1ccco1)[C@@H](C)[NH3+] ZINC000043336128 175011720 /nfs/dbraw/zinc/01/17/20/175011720.db2.gz ZDKSGFBEDYKNDM-RISCZKNCSA-N 1 0 254.374 2.151 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccco1)N(CCO)C1CCCC1 ZINC000043336147 175012163 /nfs/dbraw/zinc/01/21/63/175012163.db2.gz HHBJEPIOAIPKGD-ZFWWWQNUSA-N 1 0 266.385 2.295 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1ccco1)n1cc(Br)cn1 ZINC000043336463 175012499 /nfs/dbraw/zinc/01/24/99/175012499.db2.gz VLIYRCUKBKOVJJ-XVKPBYJWSA-N 1 0 270.130 2.175 10 0 CEAERO COCCN(CC(C)C)[C@@H](c1ccccn1)[C@@H](C)[NH3+] ZINC000043340419 175014121 /nfs/dbraw/zinc/01/41/21/175014121.db2.gz WBYFERQMGQXTCJ-UKRRQHHQSA-N 1 0 265.401 2.074 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccccn1)N(CC)C[C@@H]1CCCO1 ZINC000043340083 175014485 /nfs/dbraw/zinc/01/44/85/175014485.db2.gz XGPZTRYSCZMZPV-DZKIICNBSA-N 1 0 277.412 2.361 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccccn1)N(C)Cc1cscn1 ZINC000043341224 175015072 /nfs/dbraw/zinc/01/50/72/175015072.db2.gz UJAIEICEZUIVHT-GXTWGEPZSA-N 1 0 276.409 2.449 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccccn1)n1cc(Cl)cn1 ZINC000043341460 175015375 /nfs/dbraw/zinc/01/53/75/175015375.db2.gz LLXDTTCYJNGARF-PWSUYJOCSA-N 1 0 250.733 2.258 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cccnc1)N1CCCC[C@@H]1CCO ZINC000043345777 175016873 /nfs/dbraw/zinc/01/68/73/175016873.db2.gz GXKDWSCGFBHDDM-OAGGEKHMSA-N 1 0 277.412 2.097 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cccnc1)N1CCCSCC1 ZINC000043347398 175017947 /nfs/dbraw/zinc/01/79/47/175017947.db2.gz JNUUBRYZJLURAG-KGLIPLIRSA-N 1 0 265.426 2.299 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1cccnc1)N(CC)C[C@@H]1CCCO1 ZINC000043347570 175018166 /nfs/dbraw/zinc/01/81/66/175018166.db2.gz AZGSIRXMPYTSDP-JYJNAYRXSA-N 1 0 277.412 2.361 10 0 CEAERO CCOC1CCN([C@H](c2cccnc2)[C@@H]([NH3+])CC)CC1 ZINC000043347176 175018183 /nfs/dbraw/zinc/01/81/83/175018183.db2.gz BPDINRYHXPKBGC-JKSUJKDBSA-N 1 0 277.412 2.361 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1ncccn1)c1cccnc1 ZINC000043352138 175020007 /nfs/dbraw/zinc/02/00/07/175020007.db2.gz QSOQMMIGTVKNBL-NEPJUHHUSA-N 1 0 260.366 2.442 10 0 CEAERO CCN(Cc1ccncc1)[C@@H](c1ccncc1)[C@@H](C)[NH3+] ZINC000043354283 175021832 /nfs/dbraw/zinc/02/18/32/175021832.db2.gz GDJOMGOYPPPHKG-CZUORRHYSA-N 1 0 270.380 2.387 10 0 CEAERO CC(C)N(CC(F)(F)F)[C@H](C[NH3+])c1ccncc1 ZINC000043354840 175022046 /nfs/dbraw/zinc/02/20/46/175022046.db2.gz WKHWZESJFJSSHY-LLVKDONJSA-N 1 0 261.291 2.354 10 0 CEAERO C[C@H]([NH3+])[C@H](OCc1ccc2c(c1)OCO2)c1ccncc1 ZINC000043355673 175022908 /nfs/dbraw/zinc/02/29/08/175022908.db2.gz NYYSRODVXULFSH-ZBEGNZNMSA-N 1 0 286.331 2.415 10 0 CEAERO [NH3+]C[C@H](OCc1ccc2c(c1)OCO2)c1ccncc1 ZINC000043355671 175022990 /nfs/dbraw/zinc/02/29/90/175022990.db2.gz PLXPWVBADIXKCM-HNNXBMFYSA-N 1 0 272.304 2.027 10 0 CEAERO [NH3+]C[C@@H](Sc1nnc2n1CCCCC2)c1ccncc1 ZINC000043363170 175024011 /nfs/dbraw/zinc/02/40/11/175024011.db2.gz XKCCBCRHIFNWAO-GFCCVEGCSA-N 1 0 289.408 2.192 10 0 CEAERO CCOC(=O)CS[C@H](c1ccncc1)[C@H]([NH3+])CC ZINC000043363483 175024075 /nfs/dbraw/zinc/02/40/75/175024075.db2.gz MMWBVLVPNYYCSX-DGCLKSJQSA-N 1 0 268.382 2.156 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)N1CCOC(C)(C)C1 ZINC000043364457 175025376 /nfs/dbraw/zinc/02/53/76/175025376.db2.gz KKKJKADDVDCVAP-TZMCWYRMSA-N 1 0 266.385 2.477 10 0 CEAERO Cc1ccc([C@@H]([C@@H](C)[NH3+])N2CCOCC2(C)C)o1 ZINC000043364744 175025477 /nfs/dbraw/zinc/02/54/77/175025477.db2.gz UTISYESDOSDPOV-DGCLKSJQSA-N 1 0 252.358 2.087 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccc(C)o1)N(CCO)C(C)C ZINC000043365150 175026397 /nfs/dbraw/zinc/02/63/97/175026397.db2.gz BYPBSFOAMSFIET-GXTWGEPZSA-N 1 0 254.374 2.069 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](N(CC)C[C@@H]1CCCO1)C(F)(F)F ZINC000043378380 175030366 /nfs/dbraw/zinc/03/03/66/175030366.db2.gz KUKPVMAAANZKLP-HBNTYKKESA-N 1 0 268.323 2.156 10 0 CEAERO CC[C@@H]([NH3+])[C@H](N1CCCSCC1)C(F)(F)F ZINC000043378211 175030571 /nfs/dbraw/zinc/03/05/71/175030571.db2.gz XJVXCVIIGKBEOU-BDAKNGLRSA-N 1 0 256.337 2.094 10 0 CEAERO C[C@@H]([NH3+])[C@@H](Oc1ccc2c(c1)CCC(=O)N2)C(F)(F)F ZINC000043383330 175031260 /nfs/dbraw/zinc/03/12/60/175031260.db2.gz QPYKRTBKKVUXDA-JMCQJSRRSA-N 1 0 288.269 2.228 10 0 CEAERO CC[C@H]([NH3+])[C@H](n1nnc(-c2ccccc2)n1)C(F)(F)F ZINC000043383025 175031316 /nfs/dbraw/zinc/03/13/16/175031316.db2.gz NGKQMVBYSVCSRL-UWVGGRQHSA-N 1 0 285.273 2.181 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1cnn(C)c1)C(F)(F)F ZINC000043386502 175031949 /nfs/dbraw/zinc/03/19/49/175031949.db2.gz CICXGPLQYQJTMY-JGVFFNPUSA-N 1 0 253.293 2.180 10 0 CEAERO CCCc1cc(=O)[nH]c(S[C@H]([C@@H](C)[NH3+])C(F)(F)F)n1 ZINC000043385730 175032176 /nfs/dbraw/zinc/03/21/76/175032176.db2.gz CSWBMHJDIYRZPD-HZGVNTEJSA-N 1 0 295.330 2.093 10 0 CEAERO CC[C@@H](C)N(CCOC)c1nc2c(cc1C(N)=[NH2+])CCC2 ZINC000043406793 175037245 /nfs/dbraw/zinc/03/72/45/175037245.db2.gz VCTWJQXVPUVNQV-LLVKDONJSA-N 1 0 290.411 2.106 10 0 CEAERO CCOc1ccc2[nH]c(S[C@H](C)C[NH3+])nc2c1 ZINC000043514616 175061684 /nfs/dbraw/zinc/06/16/84/175061684.db2.gz AMOPHHUGCWUKQA-MRVPVSSYSA-N 1 0 251.355 2.401 10 0 CEAERO C[NH2+][C@H](CN1CCOCC1)c1ccc(CC(C)C)cc1 ZINC000043808032 175109025 /nfs/dbraw/zinc/10/90/25/175109025.db2.gz BGHKFHLPNWHVJU-QGZVFWFLSA-N 1 0 276.424 2.478 10 0 CEAERO CC[NH2+][C@@H](CN(C)CC)c1ccc2c(c1)OCCO2 ZINC000043820461 175114127 /nfs/dbraw/zinc/11/41/27/175114127.db2.gz LNKGLVULAYUPLG-ZDUSSCGKSA-N 1 0 264.369 2.060 10 0 CEAERO CC[NH2+][C@@H](c1ccccc1)[C@@H](C)N1CCOC[C@@H]1C ZINC000043891354 175117981 /nfs/dbraw/zinc/11/79/81/175117981.db2.gz AGPGXIRMAXMART-SQWLQELKSA-N 1 0 262.397 2.446 10 0 CEAERO CC[NH2+][C@@H](CN1CCOC[C@@H]1C)c1cc(C)ccc1OC ZINC000043891548 175118147 /nfs/dbraw/zinc/11/81/47/175118147.db2.gz JMFMDNJMFFAYNL-HOCLYGCPSA-N 1 0 292.423 2.375 10 0 CEAERO CCC[NH2+][C@@H]1CCC2(C[C@@H]1N(C)[C@@H](C)C1CC1)OCCO2 ZINC000043895185 175119307 /nfs/dbraw/zinc/11/93/07/175119307.db2.gz DROQSSPVKDRSHR-IMJJTQAJSA-N 1 0 296.455 2.381 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2OC[C@H]1N(C)CC(F)(F)F ZINC000043900812 175122171 /nfs/dbraw/zinc/12/21/71/175122171.db2.gz YDLLVGDDBTVYBR-ZYHUDNBSSA-N 1 0 274.286 2.202 10 0 CEAERO CCOC1CCN(C[C@H]([NH2+]C)c2cccc(OC)c2)CC1 ZINC000043907026 175123284 /nfs/dbraw/zinc/12/32/84/175123284.db2.gz XMZYWXZSMCDMBJ-KRWDZBQOSA-N 1 0 292.423 2.457 10 0 CEAERO CCC[NH2+][C@@H]1CCOC[C@@H]1N(C)Cc1ccccc1OC ZINC000043912356 175123839 /nfs/dbraw/zinc/12/38/39/175123839.db2.gz HLUSWHFSLYGIGT-CVEARBPZSA-N 1 0 292.423 2.284 10 0 CEAERO C[NH2+][C@@H](CN(C)C[C@@H]1CCCCO1)c1ccccc1 ZINC000043966338 175128186 /nfs/dbraw/zinc/12/81/86/175128186.db2.gz JQVRQGMTOVQQTA-HOTGVXAUSA-N 1 0 262.397 2.448 10 0 CEAERO CCC[NH2+][C@H](CC)[C@H](C)N(C)Cc1cnn(C)c1 ZINC000043967316 175128538 /nfs/dbraw/zinc/12/85/38/175128538.db2.gz WITFYBVLCXRRQI-GXTWGEPZSA-N 1 0 252.406 2.019 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2C[C@@H]1N(C)Cc1cnn(C)c1 ZINC000043967258 175128634 /nfs/dbraw/zinc/12/86/34/175128634.db2.gz XQAMVTPXSZKHKU-IRXDYDNUSA-N 1 0 284.407 2.127 10 0 CEAERO C[NH2+][C@H](CN(CCOC)C1CC1)c1ccc(OC)cc1 ZINC000043969683 175130385 /nfs/dbraw/zinc/13/03/85/175130385.db2.gz VTGHMOZKGAIUIQ-MRXNPFEDSA-N 1 0 278.396 2.067 10 0 CEAERO CC[NH2+][C@H](CN(CCOC)C1CC1)c1cccc(OC)c1 ZINC000043969958 175131564 /nfs/dbraw/zinc/13/15/64/175131564.db2.gz BVLYUQQGRBBUQI-QGZVFWFLSA-N 1 0 292.423 2.457 10 0 CEAERO CC[NH2+][C@@H]1CCCC[C@H]1N1CCC[C@H](OCC)C1 ZINC000043971658 175132888 /nfs/dbraw/zinc/13/28/88/175132888.db2.gz UTITXHQSPPMKFP-RRFJBIMHSA-N 1 0 254.418 2.408 10 0 CEAERO CC(C)N1C[C@H](c2ccccc2)[C@@]2(CCC[NH2+]C2)C1=O ZINC000044137302 175145985 /nfs/dbraw/zinc/14/59/85/175145985.db2.gz ANBVRIIDNHGRHX-WBVHZDCISA-N 1 0 272.392 2.391 10 0 CEAERO CC(C)(C)N1CC[C@H]1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000658059711 415182412 /nfs/dbraw/zinc/18/24/12/415182412.db2.gz WTZHXXQYBVOIAA-DGAVXFQQSA-N 1 0 266.429 2.262 10 0 CEAERO C[NH2+][C@H]1CCCc2cc(O[C@H]3CCCCNC3=O)ccc21 ZINC000044745350 175241839 /nfs/dbraw/zinc/24/18/39/175241839.db2.gz XFOOGOXYAWPDAU-HOTGVXAUSA-N 1 0 288.391 2.331 10 0 CEAERO CCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000044747152 175242745 /nfs/dbraw/zinc/24/27/45/175242745.db2.gz FTXGSZNCVCEVTF-IAQYHMDHSA-N 1 0 276.380 2.274 10 0 CEAERO CCC(CC)(C[NH3+])C(=O)N(CCOC)[C@H](C)C1CC1 ZINC000044764195 175248112 /nfs/dbraw/zinc/24/81/12/175248112.db2.gz SFPSFFQZJFXYRI-GFCCVEGCSA-N 1 0 270.417 2.025 10 0 CEAERO CCC[NH+]1CCC(NC(=O)C(CC)(CC)C(N)=S)CC1 ZINC000044780653 175253005 /nfs/dbraw/zinc/25/30/05/175253005.db2.gz CBHQIBNDDXXQLK-UHFFFAOYSA-N 1 0 299.484 2.070 10 0 CEAERO CC(C)[C@H](C[NH3+])C(=O)N(CC(F)(F)F)C(C)C ZINC000044808192 175257107 /nfs/dbraw/zinc/25/71/07/175257107.db2.gz GIIYCMAUTAIPKX-VIFPVBQESA-N 1 0 254.296 2.017 10 0 CEAERO Cc1noc(Cn2c(N)[nH+]c3cc(Cl)ccc32)n1 ZINC000045005511 175288094 /nfs/dbraw/zinc/28/80/94/175288094.db2.gz PHMQKMISNFNFAL-UHFFFAOYSA-N 1 0 263.688 2.012 10 0 CEAERO C[C@H](CNc1cc(Cl)ncn1)[NH+]1CCCCC1 ZINC000045014497 175291118 /nfs/dbraw/zinc/29/11/18/175291118.db2.gz MIIOLWQYFVCVRU-SNVBAGLBSA-N 1 0 254.765 2.416 10 0 CEAERO CC1(NS(=O)(=O)c2ccc(C[NH3+])cc2)CCCCC1 ZINC000045046341 175296167 /nfs/dbraw/zinc/29/61/67/175296167.db2.gz CJZJPAIXMMZUHI-UHFFFAOYSA-N 1 0 282.409 2.146 10 0 CEAERO Nc1ccc(=O)n(CCC[N@@H+]2CCC[C@@H]2C2CCCC2)c1 ZINC000045066877 175300140 /nfs/dbraw/zinc/30/01/40/175300140.db2.gz HFVLEPCBYQEXPS-MRXNPFEDSA-N 1 0 289.423 2.475 10 0 CEAERO COC(C)(C)C[C@H](C)[NH2+]CCCCn1ccnc1 ZINC000045105602 175307814 /nfs/dbraw/zinc/30/78/14/175307814.db2.gz NKADBNZBHMLIFL-ZDUSSCGKSA-N 1 0 253.390 2.457 10 0 CEAERO CCCCCNC(=O)[C@H](C)[NH2+]CCOCCC(C)C ZINC000045106852 175308137 /nfs/dbraw/zinc/30/81/37/175308137.db2.gz JCNCIHYIITYWIL-AWEZNQCLSA-N 1 0 272.433 2.334 10 0 CEAERO CC1(C)C[C@H]1[NH2+]Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000045119879 175312184 /nfs/dbraw/zinc/31/21/84/175312184.db2.gz HFWNTZBAACGJAN-LLVKDONJSA-N 1 0 277.755 2.465 10 0 CEAERO CC(C)[N@@H+]1CC[C@@H](CNc2ccc(C(N)=S)cc2)C1 ZINC000045137192 175313842 /nfs/dbraw/zinc/31/38/42/175313842.db2.gz XDAJKLVKJDYPPA-LBPRGKRZSA-N 1 0 277.437 2.463 10 0 CEAERO CC(C)[N@@H+]1CC[C@H](CNc2ccc(C(N)=S)cc2)C1 ZINC000045137190 175313868 /nfs/dbraw/zinc/31/38/68/175313868.db2.gz XDAJKLVKJDYPPA-GFCCVEGCSA-N 1 0 277.437 2.463 10 0 CEAERO Cc1ccc(C(N)=S)c(NC[C@@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000045137214 175314538 /nfs/dbraw/zinc/31/45/38/175314538.db2.gz OPLGJDRZJJMYCJ-LBPRGKRZSA-N 1 0 292.452 2.166 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)NCCC[NH+]1CCCC1 ZINC000045168321 175319564 /nfs/dbraw/zinc/31/95/64/175319564.db2.gz BCZQZNBYTSYTND-GFCCVEGCSA-N 1 0 264.417 2.173 10 0 CEAERO Cc1nn(C)c(C)c1[C@H](C)[NH2+]C[C@@H](O)c1ccccc1 ZINC000045169704 175320297 /nfs/dbraw/zinc/32/02/97/175320297.db2.gz YGGJATLJNZDVIR-XHDPSFHLSA-N 1 0 273.380 2.421 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+][C@@H](C)CN2CCCC2=O)c1C ZINC000045171752 175320833 /nfs/dbraw/zinc/32/08/33/175320833.db2.gz VBOXZPCDVZHBBL-RYUDHWBXSA-N 1 0 292.427 2.181 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]C[C@@H]1CCCCO1 ZINC000045172615 175321906 /nfs/dbraw/zinc/32/19/06/175321906.db2.gz KINCGSZUYRTUQD-MFKMUULPSA-N 1 0 251.374 2.257 10 0 CEAERO CCCC[N@H+](CC)C[C@@](NC)(C(=O)OC)c1ccccc1 ZINC000045223219 175331215 /nfs/dbraw/zinc/33/12/15/175331215.db2.gz VAJFIXYMWVYGJP-KRWDZBQOSA-N 1 0 292.423 2.396 10 0 CEAERO COC(=O)[C@](C)(CC[NH+]1CCCCCCC1)NC1CC1 ZINC000045223806 175331434 /nfs/dbraw/zinc/33/14/34/175331434.db2.gz JPAKULFNCMYDOC-INIZCTEOSA-N 1 0 282.428 2.326 10 0 CEAERO CC[NH2+][C@@](C)(CCN(CC)c1ccccc1C)C(N)=O ZINC000045223096 175331534 /nfs/dbraw/zinc/33/15/34/175331534.db2.gz SOPDHOZFEYUJIN-INIZCTEOSA-N 1 0 277.412 2.065 10 0 CEAERO CCOC(=O)[C@](N)(C[NH+]1CCC(C)CC1)c1ccccc1 ZINC000045225319 175332511 /nfs/dbraw/zinc/33/25/11/175332511.db2.gz OCUXNJVEVOTIOT-KRWDZBQOSA-N 1 0 290.407 2.136 10 0 CEAERO CCOC(=O)[C@](C)(CC[NH+]1CCCCCC1)NC1CC1 ZINC000045228950 175334395 /nfs/dbraw/zinc/33/43/95/175334395.db2.gz ZXTONJKHPBXISW-INIZCTEOSA-N 1 0 282.428 2.326 10 0 CEAERO CCC[NH+](CCC)C[C@@](N)(C(=O)OC)c1ccccc1 ZINC000045230207 175334433 /nfs/dbraw/zinc/33/44/33/175334433.db2.gz LZMAILANVZHWEV-INIZCTEOSA-N 1 0 278.396 2.136 10 0 CEAERO CCC[NH+](CCC)CC[C@@](C)(NCC)C(=O)OCC ZINC000045230481 175335199 /nfs/dbraw/zinc/33/51/99/175335199.db2.gz XRQAOYLETANXEG-OAHLLOKOSA-N 1 0 272.433 2.430 10 0 CEAERO COC(=O)[C@@](N)(C[N@H+]1[C@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000045231647 175335471 /nfs/dbraw/zinc/33/54/71/175335471.db2.gz SBNLHTDPTIEZRX-JKIFEVAISA-N 1 0 290.407 2.277 10 0 CEAERO C[C@@]([NH3+])(CC[NH+]1CCC(Cc2ccccc2)CC1)C(=O)[O-] ZINC000045263372 175337526 /nfs/dbraw/zinc/33/75/26/175337526.db2.gz SKCXXZOFACKAMD-QGZVFWFLSA-N 1 0 290.407 2.133 10 0 CEAERO CCN[C@@](C)(CC[N@H+](C)[C@@H](C)CC)C(=O)OCC ZINC000045263969 175337805 /nfs/dbraw/zinc/33/78/05/175337805.db2.gz SRXHKEVALLGHGF-JSGCOSHPSA-N 1 0 258.406 2.038 10 0 CEAERO CCC[N@H+](C[C@@](C)(NC1CC1)C(=O)OCC)C(C)C ZINC000045266849 175339397 /nfs/dbraw/zinc/33/93/97/175339397.db2.gz PAKLLKFERBBASY-OAHLLOKOSA-N 1 0 270.417 2.181 10 0 CEAERO CCCCC[N@H+](C)CC[C@@](C)(NCCC)C(=O)OC ZINC000045268246 175340720 /nfs/dbraw/zinc/34/07/20/175340720.db2.gz VQYCHDZMONBYCL-OAHLLOKOSA-N 1 0 272.433 2.430 10 0 CEAERO CCN[C@@](C)(CC[N@H+](C)[C@@H](C)C1CC1)C(=O)OCC ZINC000045270338 175341880 /nfs/dbraw/zinc/34/18/80/175341880.db2.gz ASGNLXVHHLOMCI-WFASDCNBSA-N 1 0 270.417 2.038 10 0 CEAERO CCN[C@@](C)(C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)OC ZINC000045272077 175343278 /nfs/dbraw/zinc/34/32/78/175343278.db2.gz XIHOFDXMFOHSFN-LZWOXQAQSA-N 1 0 282.428 2.040 10 0 CEAERO C[N@H+](CC[C@](C)(NC1CC1)C(N)=O)C1CCCCCC1 ZINC000045272025 175343445 /nfs/dbraw/zinc/34/34/45/175343445.db2.gz AOJXHUFLAQOXAD-INIZCTEOSA-N 1 0 281.444 2.027 10 0 CEAERO CCC[NH2+][C@](C)(CCN(CC)c1cccc(C)c1)C(N)=O ZINC000045273255 175344111 /nfs/dbraw/zinc/34/41/11/175344111.db2.gz OLBMBOAODNIPGO-QGZVFWFLSA-N 1 0 291.439 2.455 10 0 CEAERO CCC[N@H+](CC[C@](C)([NH2+]C(C)C)C(=O)[O-])CC1CC1 ZINC000045276876 175346646 /nfs/dbraw/zinc/34/66/46/175346646.db2.gz CEVWSZHPQVCSER-HNNXBMFYSA-N 1 0 270.417 2.340 10 0 CEAERO CCCN[C@](C)(CC[N@H+](CCC)CC1CC1)C(=O)OC ZINC000045276926 175346872 /nfs/dbraw/zinc/34/68/72/175346872.db2.gz GGKRATVILGBSIG-MRXNPFEDSA-N 1 0 284.444 2.430 10 0 CEAERO CCCN[C@@](C)(CC[N@@H+]1CCC[C@@H]1C1CCCC1)C(N)=O ZINC000045277427 175347801 /nfs/dbraw/zinc/34/78/01/175347801.db2.gz BGICBNCZEUVLSF-WBVHZDCISA-N 1 0 295.471 2.275 10 0 CEAERO CCCCC[N@H+](CC[C@@](C)(N)C(=O)OC)C(C)C ZINC000045278615 175348543 /nfs/dbraw/zinc/34/85/43/175348543.db2.gz DKSQJMBYYUHOJM-CQSZACIVSA-N 1 0 258.406 2.168 10 0 CEAERO CCCCC[N@H+](C[C@](C)(NCCC)C(N)=O)C(C)C ZINC000045278577 175348678 /nfs/dbraw/zinc/34/86/78/175348678.db2.gz WCTXVZYUHCSKFR-HNNXBMFYSA-N 1 0 271.449 2.131 10 0 CEAERO CCN[C@@](C)(CC[N@H+](C)C1CCC(C)CC1)C(=O)OC ZINC000045280606 175350219 /nfs/dbraw/zinc/35/02/19/175350219.db2.gz RBXKYZGUUILMNR-XUJLQICISA-N 1 0 284.444 2.428 10 0 CEAERO CC(C)N[C@](C)(CC[N@H+](C)C1CCC(C)CC1)C(N)=O ZINC000045280627 175350703 /nfs/dbraw/zinc/35/07/03/175350703.db2.gz MRBCUDIPOGAEIJ-ZBCRRDGASA-N 1 0 283.460 2.129 10 0 CEAERO CCOC(=O)[C@](C)(C[N@H+](CC1CC1)C(C)C)NC1CC1 ZINC000045280999 175351128 /nfs/dbraw/zinc/35/11/28/175351128.db2.gz DMQBWOGDNSXPPX-INIZCTEOSA-N 1 0 282.428 2.181 10 0 CEAERO CCCC[N@H+](C)CCCC[C@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000045368186 175362919 /nfs/dbraw/zinc/36/29/19/175362919.db2.gz GIIXNOUFXALVOY-HNNXBMFYSA-N 1 0 270.417 2.484 10 0 CEAERO CCCC[N@H+](CC)CCCC[C@](C)(NC)C(=O)OC ZINC000045370454 175364058 /nfs/dbraw/zinc/36/40/58/175364058.db2.gz XSPRCRFIDVSUCD-HNNXBMFYSA-N 1 0 272.433 2.430 10 0 CEAERO CCN[C@@](C)(CCC[NH+]1CCC(C)CC1)C(=O)OCC ZINC000045374968 175365499 /nfs/dbraw/zinc/36/54/99/175365499.db2.gz WUJXLZSSIRUYHM-INIZCTEOSA-N 1 0 284.444 2.430 10 0 CEAERO CC[NH2+][C@](C)(CCCC[NH+]1CCC(C)CC1)C(=O)[O-] ZINC000045374737 175365969 /nfs/dbraw/zinc/36/59/69/175365969.db2.gz KDXXIJOENIXQDJ-OAHLLOKOSA-N 1 0 270.417 2.341 10 0 CEAERO CC[NH+](CC)CCCC[C@@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045375813 175366411 /nfs/dbraw/zinc/36/64/11/175366411.db2.gz UCXJHOIDJMHSMU-CQSZACIVSA-N 1 0 258.406 2.340 10 0 CEAERO CCOC(=O)[C@](C)(N)CCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000045379680 175369217 /nfs/dbraw/zinc/36/92/17/175369217.db2.gz YKBCBSLJEXCSPX-VNHYZAJKSA-N 1 0 270.417 2.310 10 0 CEAERO CCC[N@H+](CC)CCC[C@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000045387021 175372634 /nfs/dbraw/zinc/37/26/34/175372634.db2.gz LWFULCQQHKPQJC-AWEZNQCLSA-N 1 0 256.390 2.094 10 0 CEAERO CC[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1ccccc1F ZINC000658240040 415273839 /nfs/dbraw/zinc/27/38/39/415273839.db2.gz PHGAMAIUWUNRKZ-FZMZJTMJSA-N 1 0 264.344 2.345 10 0 CEAERO CC(C)OC1CCC(NC(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000655483256 415297884 /nfs/dbraw/zinc/29/78/84/415297884.db2.gz WROQDDYBXXJOCJ-NFOMZHRRSA-N 1 0 282.428 2.229 10 0 CEAERO COCCNC1(c2nccs2)CC[NH+](C(C)C)CC1 ZINC000053289665 175547372 /nfs/dbraw/zinc/54/73/72/175547372.db2.gz UGDLQBCGWACKCC-UHFFFAOYSA-N 1 0 283.441 2.079 10 0 CEAERO CC1CCC(C[NH2+]C[C@@H](O)COCC2CC2)CC1 ZINC000058864662 175629908 /nfs/dbraw/zinc/62/99/08/175629908.db2.gz UTAIVYVESVDVQL-SSDMNJCBSA-N 1 0 255.402 2.190 10 0 CEAERO C[C@@]1(C(=O)Nc2cccc3cccnc32)CC[NH2+]C1 ZINC000062887859 175676749 /nfs/dbraw/zinc/67/67/49/175676749.db2.gz AHABGYJUWLRZNL-OAHLLOKOSA-N 1 0 255.321 2.173 10 0 CEAERO CO[C@H](CNC(=O)[C@H]1CCC[NH2+][C@H]1C)C1CCCCC1 ZINC000659385154 415554394 /nfs/dbraw/zinc/55/43/94/415554394.db2.gz VTQATTZKDBJECR-AEGPPILISA-N 1 0 282.428 2.086 10 0 CEAERO CC(C)[C@H]1C[C@](CN)([N@H+](C)CC(C)(C)C)CCO1 ZINC000070365392 175894154 /nfs/dbraw/zinc/89/41/54/175894154.db2.gz PFTOWNFMOFYNFG-UKRRQHHQSA-N 1 0 256.434 2.497 10 0 CEAERO CC[C@](C)([NH3+])c1noc([C@H]2COc3ccccc32)n1 ZINC000070393355 175908062 /nfs/dbraw/zinc/90/80/62/175908062.db2.gz LHBCAMRKGAUOSC-HZMBPMFUSA-N 1 0 259.309 2.178 10 0 CEAERO COc1ccc([C@@H]([NH3+])c2c(C)ccnc2N)cc1OC ZINC000070402445 175911755 /nfs/dbraw/zinc/91/17/55/175911755.db2.gz NLZHFSSXZYCCMU-CQSZACIVSA-N 1 0 273.336 2.038 10 0 CEAERO CCC[NH2+][C@H](Cc1cccnc1N)C[C@@H]1CCCO1 ZINC000070407158 175913509 /nfs/dbraw/zinc/91/35/09/175913509.db2.gz ZWUQIXFYRGNFDE-KGLIPLIRSA-N 1 0 263.385 2.144 10 0 CEAERO CCCCOCC[NH2+]CCn1ccnc1CCC ZINC000070425912 175922662 /nfs/dbraw/zinc/92/26/62/175922662.db2.gz HLCCEGFOSJTVSU-UHFFFAOYSA-N 1 0 253.390 2.242 10 0 CEAERO CC(C)(C)[NH2+]C[C@H]1CCCCN1c1nncs1 ZINC000070426619 175923169 /nfs/dbraw/zinc/92/31/69/175923169.db2.gz PHNHPRWPDIDXMO-SNVBAGLBSA-N 1 0 254.403 2.285 10 0 CEAERO CCCCCCNS(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000070468733 175948202 /nfs/dbraw/zinc/94/82/02/175948202.db2.gz KQAFLVRNMIWUDJ-UHFFFAOYSA-N 1 0 290.454 2.108 10 0 CEAERO COCC[NH2+]CCCCc1cc(OC)ccc1OC ZINC000070493994 175956207 /nfs/dbraw/zinc/95/62/07/175956207.db2.gz SWUQJYVOXCTHJC-UHFFFAOYSA-N 1 0 267.369 2.263 10 0 CEAERO COCC[NH2+]CCCCc1cccc(OC)c1OC ZINC000070494000 175956305 /nfs/dbraw/zinc/95/63/05/175956305.db2.gz WXAVWCFUWHWIMJ-UHFFFAOYSA-N 1 0 267.369 2.263 10 0 CEAERO CCOC(=O)[C@@H](CC[NH+](CC1CC1)CC1CC1)NC(C)C ZINC000070506858 175959364 /nfs/dbraw/zinc/95/93/64/175959364.db2.gz HXKZUZIJCCLYGR-MRXNPFEDSA-N 1 0 296.455 2.428 10 0 CEAERO CCOC(=O)[C@](C[NH+](CC1CC1)CC1CC1)(NC)C1CC1 ZINC000070506898 175959530 /nfs/dbraw/zinc/95/95/30/175959530.db2.gz AXBXOJBGAAELTE-QGZVFWFLSA-N 1 0 294.439 2.040 10 0 CEAERO CC(C)C[NH+](CC(C)C)C[C@@](N)(CO)c1ccccc1 ZINC000070513833 175962472 /nfs/dbraw/zinc/96/24/72/175962472.db2.gz BHJSESCRTHRQLS-QGZVFWFLSA-N 1 0 278.440 2.447 10 0 CEAERO C[NH2+][C@@](C)(CO)CCCCOc1cccc(N(C)C)c1 ZINC000070516827 175965590 /nfs/dbraw/zinc/96/55/90/175965590.db2.gz IPHXAEZEQROZDZ-MRXNPFEDSA-N 1 0 280.412 2.272 10 0 CEAERO CC(C)[NH2+]C[C@H](C)Cn1c(=O)cnc2ccccc21 ZINC000070526856 175970928 /nfs/dbraw/zinc/97/09/28/175970928.db2.gz NNBWWMKPKRCPMJ-LBPRGKRZSA-N 1 0 259.353 2.031 10 0 CEAERO Cc1cnc(NC(=O)c2ccccc2CC[NH3+])s1 ZINC000070541503 175977328 /nfs/dbraw/zinc/97/73/28/175977328.db2.gz FAFYNVIGSLXQST-UHFFFAOYSA-N 1 0 261.350 2.205 10 0 CEAERO [NH3+]CCc1ccc(C(=O)N(CC(F)(F)F)C2CC2)cc1 ZINC000070552796 175981648 /nfs/dbraw/zinc/98/16/48/175981648.db2.gz OCVQBABPHKFMTL-UHFFFAOYSA-N 1 0 286.297 2.355 10 0 CEAERO Cc1nc(COc2ccc(C[NH3+])cc2Br)no1 ZINC000070579833 175994106 /nfs/dbraw/zinc/99/41/06/175994106.db2.gz IAMGSFUJTDTVJX-UHFFFAOYSA-N 1 0 298.140 2.178 10 0 CEAERO COCC[NH2+]CCCc1occc1Br ZINC000070743653 176004623 /nfs/dbraw/zinc/00/46/23/176004623.db2.gz LDOGIEXYPMMORC-UHFFFAOYSA-N 1 0 262.147 2.211 10 0 CEAERO C[C@H](NCc1cnccc1C(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000665299434 415687763 /nfs/dbraw/zinc/68/77/63/415687763.db2.gz MYKOSKNMLPKCNO-VHSXEESVSA-N 1 0 273.302 2.188 10 0 CEAERO CCC[C@@H](C[NH3+])N1CCN(Cc2ccc(F)cc2)CC1 ZINC000070940869 176014512 /nfs/dbraw/zinc/01/45/12/176014512.db2.gz PNXCARDSSKYEMW-INIZCTEOSA-N 1 0 279.403 2.071 10 0 CEAERO COc1cccc(C(=O)N(CC[NH3+])C2CCCC2)c1OC ZINC000070943544 176016283 /nfs/dbraw/zinc/01/62/83/176016283.db2.gz NJRYTNZXGMDWEN-UHFFFAOYSA-N 1 0 292.379 2.047 10 0 CEAERO [NH3+][C@H]1CCC(=O)N(C2CC2)[C@@H]1c1cc(F)ccc1F ZINC000070987361 176018368 /nfs/dbraw/zinc/01/83/68/176018368.db2.gz ROZAQEGUJDQPLC-GXTWGEPZSA-N 1 0 266.291 2.118 10 0 CEAERO Cc1ccc([C@H]2[C@@H]([NH3+])CCC(=O)N2C(C)C)s1 ZINC000070987028 176018601 /nfs/dbraw/zinc/01/86/01/176018601.db2.gz FCGGCBHSQMPWQD-GXFFZTMASA-N 1 0 252.383 2.456 10 0 CEAERO CCCC[N@H+](CCO)C[C@H]1OCCc2ccccc21 ZINC000071030834 176021887 /nfs/dbraw/zinc/02/18/87/176021887.db2.gz SWXMLRWGOVNBPG-MRXNPFEDSA-N 1 0 263.381 2.395 10 0 CEAERO CC[NH2+][C@@H]1CCCN(c2nc(CC)c(C)s2)C1=O ZINC000071032268 176023614 /nfs/dbraw/zinc/02/36/14/176023614.db2.gz BDKKUOVVEWDMSK-LLVKDONJSA-N 1 0 267.398 2.119 10 0 CEAERO Cc1cc([C@@H](C)N2CC[C@H]([NH2+]C3CC3)C2=O)c(C)o1 ZINC000071035187 176024689 /nfs/dbraw/zinc/02/46/89/176024689.db2.gz JYYOFJADCNFFCR-YGRLFVJLSA-N 1 0 262.353 2.310 10 0 CEAERO CC[NH2+][C@H]1CCCN([C@@H](C)c2cccc(F)c2)C1=O ZINC000071034943 176024916 /nfs/dbraw/zinc/02/49/16/176024916.db2.gz LFFWCPXTVOQUQN-FZMZJTMJSA-N 1 0 264.344 2.487 10 0 CEAERO Cc1nc(C)c([C@@H](C)N2CC[C@H]([NH2+]C3CC3)C2=O)s1 ZINC000071036204 176025586 /nfs/dbraw/zinc/02/55/86/176025586.db2.gz AMPXISVETHWMSC-SKDRFNHKSA-N 1 0 279.409 2.174 10 0 CEAERO CC1(N2CCC[C@@H]([NH2+]C3CC3)C2=O)CCCCC1 ZINC000071036301 176025685 /nfs/dbraw/zinc/02/56/85/176025685.db2.gz CACOTQDMEKEOLQ-CYBMUJFWSA-N 1 0 250.386 2.452 10 0 CEAERO C[NH2+][C@H]1CCCN(C23CC4CC(CC(C4)C2)C3)C1=O ZINC000071035704 176025687 /nfs/dbraw/zinc/02/56/87/176025687.db2.gz XXNLGMNAOKHZBU-IXUJDMMCSA-N 1 0 262.397 2.166 10 0 CEAERO CCC[NH2+][C@H]1CCCN([C@@H](C)c2cccnc2)C1=O ZINC000071040057 176027042 /nfs/dbraw/zinc/02/70/42/176027042.db2.gz ZTAZKJJBYGLLJG-JSGCOSHPSA-N 1 0 261.369 2.133 10 0 CEAERO CCC[NH2+][C@@H]1CCCN(CCc2ccc(F)cc2)C1=O ZINC000071038162 176027128 /nfs/dbraw/zinc/02/71/28/176027128.db2.gz OZYUZJJSEZNONN-OAHLLOKOSA-N 1 0 278.371 2.359 10 0 CEAERO CC(C)[NH2+][C@@H]1CCCN(CCc2ccccc2F)C1=O ZINC000071038351 176027188 /nfs/dbraw/zinc/02/71/88/176027188.db2.gz MTDBIYGTKDDVDC-OAHLLOKOSA-N 1 0 278.371 2.357 10 0 CEAERO CCC[NH2+][C@H]1CCCN(Cc2cccc(F)c2)C1=O ZINC000071039024 176027406 /nfs/dbraw/zinc/02/74/06/176027406.db2.gz PHIZOXVQCRUPJN-AWEZNQCLSA-N 1 0 264.344 2.316 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCCN1[C@H]1CCc2ccccc2C1 ZINC000071041972 176027897 /nfs/dbraw/zinc/02/78/97/176027897.db2.gz DQADALZXGMWKSR-IRXDYDNUSA-N 1 0 284.403 2.287 10 0 CEAERO COc1ccc(N2CC[C@@H]([NH2+]C(C)C)C2=O)c(C)c1 ZINC000071042610 176028400 /nfs/dbraw/zinc/02/84/00/176028400.db2.gz SGQJEZSIQJNUCM-CYBMUJFWSA-N 1 0 262.353 2.107 10 0 CEAERO CC[NH2+][C@H]1CCCN(CCc2cccc(C)c2)C1=O ZINC000071042001 176028614 /nfs/dbraw/zinc/02/86/14/176028614.db2.gz RUUMYTPQQANIGK-HNNXBMFYSA-N 1 0 260.381 2.138 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN(c2cc(F)c(F)c(F)c2)C1=O ZINC000071042869 176029129 /nfs/dbraw/zinc/02/91/29/176029129.db2.gz VASVCHCCZSHDEA-LLVKDONJSA-N 1 0 272.270 2.207 10 0 CEAERO C[NH2+][C@H]1CCCN([C@@H]2CCCc3sccc32)C1=O ZINC000071042763 176029359 /nfs/dbraw/zinc/02/93/59/176029359.db2.gz CNSVALSSPGXLHV-NWDGAFQWSA-N 1 0 264.394 2.336 10 0 CEAERO C[C@@H](c1ccsc1)N1CC[C@@H]([NH2+]C2CC2)C1=O ZINC000071042811 176029398 /nfs/dbraw/zinc/02/93/98/176029398.db2.gz QHGDVKYYUMEFQQ-JOYOIKCWSA-N 1 0 250.367 2.162 10 0 CEAERO CC[C@@H]1CCC[C@@](NCC[NH+](CC)CC)(C(=O)OC)C1 ZINC000071125751 176035844 /nfs/dbraw/zinc/03/58/44/176035844.db2.gz OVVOSZDPKQOGQI-ZBFHGGJFSA-N 1 0 284.444 2.430 10 0 CEAERO CN1C(=O)Cc2ccc([C@H]([NH3+])CC(C)(C)C)cc2C1=O ZINC000071139422 176037964 /nfs/dbraw/zinc/03/79/64/176037964.db2.gz DEZVERDEEHXKHN-CYBMUJFWSA-N 1 0 274.364 2.277 10 0 CEAERO CCC(C)(C)[C@H]([NH3+])c1ccc2c(c1)C(=O)N(C)C(=O)C2 ZINC000071139363 176037992 /nfs/dbraw/zinc/03/79/92/176037992.db2.gz YEZGMLNXPSGVOU-CQSZACIVSA-N 1 0 274.364 2.277 10 0 CEAERO CCCc1ccc(NC(=O)CN2CC[C@@H](C[NH2+]C)C2)cc1 ZINC000071145367 176042069 /nfs/dbraw/zinc/04/20/69/176042069.db2.gz VSXNMSXVLBPFOV-HNNXBMFYSA-N 1 0 289.423 2.119 10 0 CEAERO CCc1cc2c(ncnc2N2CC[C@H](C[NH2+]C)C2)s1 ZINC000071147953 176043946 /nfs/dbraw/zinc/04/39/46/176043946.db2.gz DHYDRRPRFVNNCI-SNVBAGLBSA-N 1 0 276.409 2.299 10 0 CEAERO C[NH2+][C@@H]1CCC2(C[C@@H]1Oc1cc(F)ccc1F)OCCO2 ZINC000071167452 176049273 /nfs/dbraw/zinc/04/92/73/176049273.db2.gz WFGSWNVZJKGTOF-OCCSQVGLSA-N 1 0 299.317 2.227 10 0 CEAERO COc1ccc(C[C@@](C)(C[NH3+])N2CCSCC2)cc1 ZINC000071169083 176049767 /nfs/dbraw/zinc/04/97/67/176049767.db2.gz JNFOOLGXKHABMC-HNNXBMFYSA-N 1 0 280.437 2.004 10 0 CEAERO COCCN(C1CC1)[C@@](C)(C[NH3+])Cc1ccc(OC)cc1 ZINC000071169186 176050094 /nfs/dbraw/zinc/05/00/94/176050094.db2.gz KNZOKKWQBJECIH-QGZVFWFLSA-N 1 0 292.423 2.066 10 0 CEAERO CCn1cc([C@](C)([NH3+])Cc2ccc(OC)cc2)cn1 ZINC000071169433 176050705 /nfs/dbraw/zinc/05/07/05/176050705.db2.gz JNXQJQUKRDRKIX-OAHLLOKOSA-N 1 0 259.353 2.328 10 0 CEAERO CC(C)Oc1cncc(N[C@H]2CC[NH2+]C3(CCC3)C2)n1 ZINC000071175941 176054409 /nfs/dbraw/zinc/05/44/09/176054409.db2.gz PDSUTYFHWFKQQL-LBPRGKRZSA-N 1 0 276.384 2.350 10 0 CEAERO CC(C)Oc1cncc(N(C)c2ccc(C[NH3+])cc2)n1 ZINC000071175866 176054593 /nfs/dbraw/zinc/05/45/93/176054593.db2.gz UMJKWEXWWBBULW-UHFFFAOYSA-N 1 0 272.352 2.490 10 0 CEAERO CC(C)Oc1cncc(N[C@@H]2c3ccccc3C[C@H]2[NH3+])n1 ZINC000071177447 176055249 /nfs/dbraw/zinc/05/52/49/176055249.db2.gz NGLIXTNRMJOZAI-CZUORRHYSA-N 1 0 284.363 2.300 10 0 CEAERO CC(C)Oc1cncc(OCC[C@@H]2CCCC[NH2+]2)n1 ZINC000071176723 176055253 /nfs/dbraw/zinc/05/52/53/176055253.db2.gz GDJAWYQDICLAPS-LBPRGKRZSA-N 1 0 265.357 2.175 10 0 CEAERO Cc1ccccc1CSc1cnc(C(N)=[NH2+])cn1 ZINC000071180573 176056317 /nfs/dbraw/zinc/05/63/17/176056317.db2.gz AIOCUCIXYXTECH-UHFFFAOYSA-N 1 0 258.350 2.361 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccc(O[C@@H]2CCN(C)C2=O)cc1 ZINC000071182900 176058124 /nfs/dbraw/zinc/05/81/24/176058124.db2.gz PLQWUFURRWHGBS-SWLSCSKDSA-N 1 0 276.380 2.357 10 0 CEAERO C[NH2+][C@@H](C)c1cc(Cl)ccc1O[C@H]1CCN(C)C1=O ZINC000071183088 176058298 /nfs/dbraw/zinc/05/82/98/176058298.db2.gz XDIURKZKOPLBQB-ZANVPECISA-N 1 0 282.771 2.230 10 0 CEAERO CN(C[C@@H]1CC[N@H+](C)C1)c1ccc(C=O)cc1F ZINC000071189464 176064292 /nfs/dbraw/zinc/06/42/92/176064292.db2.gz OHSLXSMSTPITRV-GFCCVEGCSA-N 1 0 250.317 2.026 10 0 CEAERO CN(C[C@@H]1CC[N@H+](C)C1)c1nc2ccccc2cc1C=O ZINC000071189472 176064517 /nfs/dbraw/zinc/06/45/17/176064517.db2.gz AHOYIVIYPVICLR-CYBMUJFWSA-N 1 0 283.375 2.435 10 0 CEAERO Cc1ccc(C(=O)[C@@H](C)N(C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071189963 176065301 /nfs/dbraw/zinc/06/53/01/176065301.db2.gz DNFUADVQFQZBIU-HUUCEWRRSA-N 1 0 274.408 2.450 10 0 CEAERO CC[C@@H]1CC[C@@H](C(=O)[O-])[C@H]([N@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071192711 176074527 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ZINC000071213755 176085324 /nfs/dbraw/zinc/08/53/24/176085324.db2.gz BBBWZHDYTRNZHS-XQQFMLRXSA-N 1 0 265.426 2.462 10 0 CEAERO COc1ccc(OC)c([C@H]2C[NH2+]C[C@H](C3CC3)O2)c1 ZINC000071308633 176116462 /nfs/dbraw/zinc/11/64/62/176116462.db2.gz LJALLVFLBRDTAS-HUUCEWRRSA-N 1 0 263.337 2.143 10 0 CEAERO COc1ccc(OC)c([C@@H](C)N(C)[C@@H]2CC[NH2+]C2)c1 ZINC000071309218 176116934 /nfs/dbraw/zinc/11/69/34/176116934.db2.gz LARPCWYGDVKZNT-VXGBXAGGSA-N 1 0 264.369 2.059 10 0 CEAERO Cc1cccc(NC(=O)CCCN(C)[C@H]2CC[NH2+]C2)c1 ZINC000071310664 176117556 /nfs/dbraw/zinc/11/75/56/176117556.db2.gz VNONERQVCNOUST-HNNXBMFYSA-N 1 0 275.396 2.007 10 0 CEAERO CCN(c1ncnc2sc(C)c(C)c21)[C@@H]1CC[NH2+]C1 ZINC000071314332 176120956 /nfs/dbraw/zinc/12/09/56/176120956.db2.gz BAWLXVYCUUNCFG-LLVKDONJSA-N 1 0 276.409 2.496 10 0 CEAERO Cc1ccc(C(=O)NC[C@@H]2[NH2+]CCC[C@@H]2C)c(C)c1 ZINC000071338531 176128687 /nfs/dbraw/zinc/12/86/87/176128687.db2.gz DKEADNGJAGGWAD-WFASDCNBSA-N 1 0 260.381 2.421 10 0 CEAERO C[C@@H]1CCC[NH2+][C@H]1CNC(=O)c1cc(F)c(F)c(F)c1 ZINC000071338746 176128994 /nfs/dbraw/zinc/12/89/94/176128994.db2.gz VEKGUYAXLIOMJS-PELKAZGASA-N 1 0 286.297 2.222 10 0 CEAERO Cc1cc(C(=O)NC[C@H]2[NH2+]CCC[C@H]2C)ccc1F ZINC000071338864 176129280 /nfs/dbraw/zinc/12/92/80/176129280.db2.gz RQNQKMGEYQNVLH-QMTHXVAHSA-N 1 0 264.344 2.252 10 0 CEAERO Cc1nccn1CC[N@@H+]1CC(C)(C)NC[C@]1(C)C1CC1 ZINC000071343364 176130872 /nfs/dbraw/zinc/13/08/72/176130872.db2.gz SHTKFWGJBHYUHC-MRXNPFEDSA-N 1 0 276.428 2.044 10 0 CEAERO Cc1cccnc1C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000071344122 176130958 /nfs/dbraw/zinc/13/09/58/176130958.db2.gz DCPBVHKNFSBVJM-OAHLLOKOSA-N 1 0 260.312 2.352 10 0 CEAERO CCC[C@H]1C[NH2+][C@@H](CC)CN1Cc1cccc(OC)n1 ZINC000071343576 176131025 /nfs/dbraw/zinc/13/10/25/176131025.db2.gz RZIMNOLONGLCGM-ZFWWWQNUSA-N 1 0 277.412 2.443 10 0 CEAERO Cn1cc(CN2CC(C)(C)[NH2+]CC23CCCCC3)cn1 ZINC000071343314 176131161 /nfs/dbraw/zinc/13/11/61/176131161.db2.gz JIJSCJWGRVQPPR-UHFFFAOYSA-N 1 0 276.428 2.307 10 0 CEAERO CC1(C)CN(CCOCC(F)(F)F)[C@@](C)(C2CC2)C[NH2+]1 ZINC000071343343 176131191 /nfs/dbraw/zinc/13/11/91/176131191.db2.gz CTDVUKAOPDRHEB-CYBMUJFWSA-N 1 0 294.361 2.418 10 0 CEAERO CC[C@]1(C)C[NH2+][C@@H](C(C)(C)C)CN1CCn1cccn1 ZINC000071348718 176132353 /nfs/dbraw/zinc/13/23/53/176132353.db2.gz KFPKZLVBMRGAMT-GDBMZVCRSA-N 1 0 278.444 2.372 10 0 CEAERO CC(C)C[C@H]1CN(Cc2cnn(C)c2)[C@H](C2CC2)C[NH2+]1 ZINC000071351246 176134604 /nfs/dbraw/zinc/13/46/04/176134604.db2.gz VQEVJFFREQOEIA-HOTGVXAUSA-N 1 0 276.428 2.019 10 0 CEAERO CC[C@@]1(C)C[NH2+]C2(CCCC2)CN1Cc1cnn(C)c1 ZINC000071359065 176137239 /nfs/dbraw/zinc/13/72/39/176137239.db2.gz WSJNZPKKQIETQV-HNNXBMFYSA-N 1 0 276.428 2.307 10 0 CEAERO CC[C@@]1(C)C[N@H+](CCOC)C2(CCCCC2)CN1 ZINC000071358039 176137581 /nfs/dbraw/zinc/13/75/81/176137581.db2.gz UYQFHTGZGZFEIR-AWEZNQCLSA-N 1 0 254.418 2.410 10 0 CEAERO CC[C@@]1(C)CN(CCOCCOC)C2(CCCC2)C[NH2+]1 ZINC000071357969 176137758 /nfs/dbraw/zinc/13/77/58/176137758.db2.gz IRKRGRQOTIYDQO-HNNXBMFYSA-N 1 0 284.444 2.036 10 0 CEAERO CCn1cc(CN2CC3(CCCCC3)[NH2+]C[C@@H]2C)cn1 ZINC000071359316 176137889 /nfs/dbraw/zinc/13/78/89/176137889.db2.gz UOBYAWNUYGMJKS-AWEZNQCLSA-N 1 0 276.428 2.400 10 0 CEAERO COCC[N@@H+]1CC2(CCCC2)NC[C@@H]1CC(C)C ZINC000071358783 176137915 /nfs/dbraw/zinc/13/79/15/176137915.db2.gz GMXDPVZKEZRNOT-AWEZNQCLSA-N 1 0 254.418 2.266 10 0 CEAERO Cn1c(C[NH3+])nnc1SCc1cccc(Cl)c1 ZINC000071373660 176139037 /nfs/dbraw/zinc/13/90/37/176139037.db2.gz AIXQBOOSKXUIAW-UHFFFAOYSA-N 1 0 268.773 2.220 10 0 CEAERO CC(C)(C)OC(=O)N[C@H](CCC[NH3+])C(F)(F)F ZINC000071373350 176139072 /nfs/dbraw/zinc/13/90/72/176139072.db2.gz MEEAYJYWIZLZMP-SSDOTTSWSA-N 1 0 256.268 2.181 10 0 CEAERO C[N@H+](CCNC(=O)c1cc(F)ccc1N)C1CCCC1 ZINC000071376484 176141026 /nfs/dbraw/zinc/14/10/26/176141026.db2.gz JYZFJFJNKDBJEB-UHFFFAOYSA-N 1 0 279.359 2.012 10 0 CEAERO [NH3+]Cc1nnc(SCc2ccc(Cl)nc2)n1C1CC1 ZINC000071376069 176141079 /nfs/dbraw/zinc/14/10/79/176141079.db2.gz KQRUXYRFIIPLED-UHFFFAOYSA-N 1 0 295.799 2.412 10 0 CEAERO CC(C)CCNC(=O)[C@H](C)NCC[N@H+](C)C1CCCC1 ZINC000071377363 176141899 /nfs/dbraw/zinc/14/18/99/176141899.db2.gz FZLPUHCNSMTNCU-AWEZNQCLSA-N 1 0 283.460 2.001 10 0 CEAERO CN(CC[NH2+][C@@H]1CCCCC[C@@H]1O)C1CCCC1 ZINC000071377228 176142138 /nfs/dbraw/zinc/14/21/38/176142138.db2.gz ZBBDSVUXNGLWBD-CABCVRRESA-N 1 0 254.418 2.144 10 0 CEAERO COC(=O)c1cccnc1NCC[N@H+](C)C1CCCC1 ZINC000071377536 176143073 /nfs/dbraw/zinc/14/30/73/176143073.db2.gz BHFVMPJRXCTGDH-UHFFFAOYSA-N 1 0 277.368 2.155 10 0 CEAERO C[N@H+](CCNC(=O)c1ccc2c[nH]nc2c1)C1CCCC1 ZINC000071379910 176144196 /nfs/dbraw/zinc/14/41/96/176144196.db2.gz ZPXFNSLCUDRQKZ-UHFFFAOYSA-N 1 0 286.379 2.167 10 0 CEAERO CC[NH+](CC)[C@H]1CCN(Cc2cc(C)ccc2N)C1 ZINC000071384080 176147045 /nfs/dbraw/zinc/14/70/45/176147045.db2.gz IAUQCRXUZNDVFI-HNNXBMFYSA-N 1 0 261.413 2.493 10 0 CEAERO NC(=O)c1cc2ccccc2nc1N[C@H]1CCCC[C@H]1[NH3+] ZINC000071386028 176147569 /nfs/dbraw/zinc/14/75/69/176147569.db2.gz LOXSOQDUECQRNB-OCCSQVGLSA-N 1 0 284.363 2.016 10 0 CEAERO CN(C)c1ccc(-c2nc([C@@H]3CCC[NH2+]3)no2)cc1 ZINC000071396502 176149990 /nfs/dbraw/zinc/14/99/90/176149990.db2.gz SLSXECRFMQHYNV-LBPRGKRZSA-N 1 0 258.325 2.227 10 0 CEAERO [NH3+][C@H](CCC(=O)N1CCC[C@@H]1CCCO)c1ccccc1 ZINC000071401415 176153419 /nfs/dbraw/zinc/15/34/19/176153419.db2.gz JZNMZPXATSSHFQ-HZPDHXFCSA-N 1 0 290.407 2.230 10 0 CEAERO Cc1ccc(O[C@@H](C)C(=O)NC(C)(C)C)c(C[NH3+])c1 ZINC000071403350 176154621 /nfs/dbraw/zinc/15/46/21/176154621.db2.gz DLMXORRUCFCSLC-NSHDSACASA-N 1 0 264.369 2.136 10 0 CEAERO C[NH2+]CC(=O)N[C@H](c1cccnc1)c1ccc(C)cc1C ZINC000071404208 176155180 /nfs/dbraw/zinc/15/51/80/176155180.db2.gz NTBZEGBFWCSPND-QGZVFWFLSA-N 1 0 283.375 2.123 10 0 CEAERO CCCCNC(=O)COc1ccc(C)cc1C[NH2+]CC ZINC000071403798 176155399 /nfs/dbraw/zinc/15/53/99/176155399.db2.gz HUBNWBHLIXGAQT-UHFFFAOYSA-N 1 0 278.396 2.400 10 0 CEAERO CCC[NH2+]Cc1cc(C)ccc1O[C@@H](C)C(=O)NC ZINC000071406332 176155767 /nfs/dbraw/zinc/15/57/67/176155767.db2.gz JLYSZBPKVOWJTJ-LBPRGKRZSA-N 1 0 264.369 2.008 10 0 CEAERO CCC[NH2+]Cc1cc(C)ccc1OCCC(=O)NCC ZINC000071406242 176155883 /nfs/dbraw/zinc/15/58/83/176155883.db2.gz NSOVQTSWULBMFV-UHFFFAOYSA-N 1 0 278.396 2.400 10 0 CEAERO COCCCOc1ccc(C)cc1C[NH2+]CCOC ZINC000071407600 176156456 /nfs/dbraw/zinc/15/64/56/176156456.db2.gz RSGLCDOVLNFQMB-UHFFFAOYSA-N 1 0 267.369 2.146 10 0 CEAERO Cc1ccc(OCC(=O)N2CCCCC2)c(C[C@H](C)[NH3+])c1 ZINC000071411866 176157409 /nfs/dbraw/zinc/15/74/09/176157409.db2.gz NJKVTHXGOIIWHB-AWEZNQCLSA-N 1 0 290.407 2.276 10 0 CEAERO CCCCNC(=O)COc1ccc(C)cc1C[C@H](C)[NH3+] ZINC000071411948 176157436 /nfs/dbraw/zinc/15/74/36/176157436.db2.gz XBLSMYBSRNAODS-ZDUSSCGKSA-N 1 0 278.396 2.180 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc(C)ccc1OCCC(=O)NC1CC1 ZINC000071412239 176157468 /nfs/dbraw/zinc/15/74/68/176157468.db2.gz IVMKYHVZUUVYNT-CQSZACIVSA-N 1 0 290.407 2.322 10 0 CEAERO CC(C)Oc1ccc([C@@H](O)C[NH2+]C2CC2)cc1F ZINC000071574713 176201668 /nfs/dbraw/zinc/20/16/68/176201668.db2.gz YCUCMMHSYXYVTG-ZDUSSCGKSA-N 1 0 253.317 2.398 10 0 CEAERO COc1ccc([C@@H](O)[C@H](C)[NH2+]C2CC2)c(OC)c1C ZINC000071597844 176221651 /nfs/dbraw/zinc/22/16/51/176221651.db2.gz XSDWBJNWMKVZOS-HZMBPMFUSA-N 1 0 265.353 2.186 10 0 CEAERO CC(C)(C)OC(=O)Nc1cccc([C@H]([NH3+])CO)c1 ZINC000072199166 176339777 /nfs/dbraw/zinc/33/97/77/176339777.db2.gz AINUYRZOJOEQHC-LLVKDONJSA-N 1 0 252.314 2.026 10 0 CEAERO NC(=O)c1ccccc1Oc1cccc([C@@H]2CCC[NH2+]2)n1 ZINC000072364667 176379315 /nfs/dbraw/zinc/37/93/15/176379315.db2.gz AHUSCWFOTLNHJR-LBPRGKRZSA-N 1 0 283.331 2.397 10 0 CEAERO Cc1nc(N(C)CC(C)(C)[NH3+])ccc1Br ZINC000656609480 415785687 /nfs/dbraw/zinc/78/56/87/415785687.db2.gz PCRHZMXMAQBKNP-UHFFFAOYSA-N 1 0 272.190 2.326 10 0 CEAERO COCc1csc(C[NH2+]C[C@@H](O)C(C)(C)C)c1 ZINC000656708571 415827353 /nfs/dbraw/zinc/82/73/53/415827353.db2.gz GYUHIANCYJCHOK-GFCCVEGCSA-N 1 0 257.399 2.391 10 0 CEAERO O=C([C@@H]1C[C@H]2C[C@H]2C1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662588386 415893972 /nfs/dbraw/zinc/89/39/72/415893972.db2.gz BDADEPUQDMMHEG-JONQDZQNSA-N 1 0 276.424 2.271 10 0 CEAERO Brc1ccc(N2CCC[NH2+]CC2)s1 ZINC000076327969 176990923 /nfs/dbraw/zinc/99/09/23/176990923.db2.gz GLHRMHHTYLQVIK-UHFFFAOYSA-N 1 0 261.188 2.310 10 0 CEAERO C[NH2+]CCC(=O)N[C@@H](C)c1cc(C)n(C2CC2)c1C ZINC000076363894 177003489 /nfs/dbraw/zinc/00/34/89/177003489.db2.gz XWOVKDJIWJRXEW-NSHDSACASA-N 1 0 263.385 2.227 10 0 CEAERO CCC[NH+](CCC)CCCNC(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000076554286 177037857 /nfs/dbraw/zinc/03/78/57/177037857.db2.gz MRWYJMDSCOAZFD-GJZGRUSLSA-N 1 0 299.459 2.365 10 0 CEAERO CC(C)Oc1ccccc1NC(=O)C[C@@H](C)C[NH3+] ZINC000076654698 177044404 /nfs/dbraw/zinc/04/44/04/177044404.db2.gz IFWAQITXURTKGF-LLVKDONJSA-N 1 0 250.342 2.397 10 0 CEAERO CCOc1cccc(CN(C(=O)C[NH3+])C(C)(C)C)c1 ZINC000076680182 177057784 /nfs/dbraw/zinc/05/77/84/177057784.db2.gz MMKQOFVRONXEJG-UHFFFAOYSA-N 1 0 264.369 2.171 10 0 CEAERO C[C@@H]1COC[C@@]2(CCC[NH2+]C2)N1Cc1ccccc1 ZINC000076698242 177061709 /nfs/dbraw/zinc/06/17/09/177061709.db2.gz DOKNYLNVXZWKNQ-ZBFHGGJFSA-N 1 0 260.381 2.030 10 0 CEAERO C[C@H](CC[NH3+])C(=O)Nc1ccc(Br)cc1 ZINC000076710900 177067717 /nfs/dbraw/zinc/06/77/17/177067717.db2.gz QFAQSLRYNSAWDP-MRVPVSSYSA-N 1 0 271.158 2.373 10 0 CEAERO Cc1nc(C)c(C[NH2+][C@H](C)C(=O)N2CCCCC2)s1 ZINC000076867154 177124939 /nfs/dbraw/zinc/12/49/39/177124939.db2.gz GJGBYGYSGWBSMC-LLVKDONJSA-N 1 0 281.425 2.251 10 0 CEAERO O=C(COC1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000077252374 177240169 /nfs/dbraw/zinc/24/01/69/177240169.db2.gz NHALDWRYECATJS-UHFFFAOYSA-N 1 0 253.729 2.291 10 0 CEAERO C[NH2+]CCC(=O)N(C)c1ccccc1OC(C)C ZINC000077431978 177267544 /nfs/dbraw/zinc/26/75/44/177267544.db2.gz PUUAUHFRZQJHSU-UHFFFAOYSA-N 1 0 250.342 2.046 10 0 CEAERO CN(C[C@H](O)CC[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000077432362 177267962 /nfs/dbraw/zinc/26/79/62/177267962.db2.gz UYLPLZUNHCAYQK-CQSZACIVSA-N 1 0 250.386 2.130 10 0 CEAERO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)C(=O)NC1CC1 ZINC000078525185 177350012 /nfs/dbraw/zinc/35/00/12/177350012.db2.gz XMMXHNLABNSZSC-DTWKUNHWSA-N 1 0 268.307 2.283 10 0 CEAERO CCn1c(C)cc(C[NH2+][C@H](C)Cn2ccnc2)c1C ZINC000078739588 177380038 /nfs/dbraw/zinc/38/00/38/177380038.db2.gz RXDOBKFEWAMXFA-GFCCVEGCSA-N 1 0 260.385 2.500 10 0 CEAERO COc1ccc(CNC(=O)CC[C@H](C)CC[NH3+])cc1 ZINC000079078219 177429487 /nfs/dbraw/zinc/42/94/87/177429487.db2.gz CSYDVUYUHKBLBG-LBPRGKRZSA-N 1 0 264.369 2.077 10 0 CEAERO CNC(=O)c1cccc(NC(=O)CC[C@H](C)CC[NH3+])c1C ZINC000079190801 177441811 /nfs/dbraw/zinc/44/18/11/177441811.db2.gz BPFDFTHHTYFDSM-NSHDSACASA-N 1 0 291.395 2.058 10 0 CEAERO CC[C@@H](C)N(CCOC)C(=O)CC[C@@H](C)CC[NH3+] ZINC000079192284 177442266 /nfs/dbraw/zinc/44/22/66/177442266.db2.gz VKARISUMBHQCLC-CHWSQXEVSA-N 1 0 258.406 2.025 10 0 CEAERO CC[C@@H](CC[NH3+])CCC(=O)Nc1cccc(CO)c1 ZINC000079208933 177446545 /nfs/dbraw/zinc/44/65/45/177446545.db2.gz JOKKRJLSPRCZFE-GFCCVEGCSA-N 1 0 264.369 2.273 10 0 CEAERO CCC[C@@H](CC[NH3+])CCC(=O)NCCCCn1ccnc1 ZINC000079256207 177459691 /nfs/dbraw/zinc/45/96/91/177459691.db2.gz RLHFOMXRPIRGAJ-OAHLLOKOSA-N 1 0 294.443 2.325 10 0 CEAERO C[C@]1(C(=O)N[C@H]2CCCC[C@@H]2C(F)(F)F)CCC[NH2+]1 ZINC000079515627 177512289 /nfs/dbraw/zinc/51/22/89/177512289.db2.gz QLGBOEAIMZQJHZ-JBLDHEPKSA-N 1 0 278.318 2.366 10 0 CEAERO C[C@@H](Cc1cccs1)NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+] ZINC000079526866 177516220 /nfs/dbraw/zinc/51/62/20/177516220.db2.gz CDLXYEOKUYFLPU-CDCRFNPESA-N 1 0 278.421 2.169 10 0 CEAERO CCC[C@@H](COC)[NH2+]C[C@H](O)COCCCC(C)C ZINC000079744346 177549753 /nfs/dbraw/zinc/54/97/53/177549753.db2.gz ZXZNDEPBGUPNAT-GJZGRUSLSA-N 1 0 275.433 2.205 10 0 CEAERO CC[C@H](CC(N)=[NH2+])NC(=O)Nc1ccccc1F ZINC000079780758 177557531 /nfs/dbraw/zinc/55/75/31/177557531.db2.gz KLYKTQXBSRXIEW-MRVPVSSYSA-N 1 0 252.293 2.052 10 0 CEAERO C[NH2+]Cc1ccc2ccn(CCOCCOC)c2c1 ZINC000080080986 177605140 /nfs/dbraw/zinc/60/51/40/177605140.db2.gz HGOIFQRVMDDHPJ-UHFFFAOYSA-N 1 0 262.353 2.024 10 0 CEAERO CCC[NH2+]Cc1cc2ccccc2n1CCS(C)(=O)=O ZINC000080083332 177605713 /nfs/dbraw/zinc/60/57/13/177605713.db2.gz OTYTZXPHBXBXMA-UHFFFAOYSA-N 1 0 294.420 2.186 10 0 CEAERO CCN1CCC[C@H]1C[NH2+]Cc1sccc1NC(C)=O ZINC000080109717 177610436 /nfs/dbraw/zinc/61/04/36/177610436.db2.gz CKGDNFYGCBKRED-LBPRGKRZSA-N 1 0 281.425 2.280 10 0 CEAERO O=C(C[NH2+][C@H]1C[C@H]2CC[C@@H]1C2)NC1CCCCC1 ZINC000080149770 177614796 /nfs/dbraw/zinc/61/47/96/177614796.db2.gz VPHNRGZNVAJPIY-SCRDCRAPSA-N 1 0 250.386 2.214 10 0 CEAERO Cc1nnc(C[NH2+][C@@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)n1C ZINC000080148481 177614817 /nfs/dbraw/zinc/61/48/17/177614817.db2.gz NDGRVRMWIWGNOM-NJZAAPMLSA-N 1 0 262.401 2.428 10 0 CEAERO [NH3+]CC1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000080161166 177617008 /nfs/dbraw/zinc/61/70/08/177617008.db2.gz KODATPABUFCLFZ-XTNFGFQESA-N 1 0 250.386 2.056 10 0 CEAERO O=C(c1c[nH]c2cc(F)ccc12)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000192926402 227386517 /nfs/dbraw/zinc/38/65/17/227386517.db2.gz SCORTUDKAIACOB-LBPRGKRZSA-N 1 0 287.338 2.227 10 0 CEAERO C[C@@H]1CCN(C(=O)NC2CCC3(CC3)CC2)[C@@H](C[NH3+])C1 ZINC000333835413 287528636 /nfs/dbraw/zinc/52/86/36/287528636.db2.gz UEGQQULSRLYAMV-TZMCWYRMSA-N 1 0 279.428 2.478 10 0 CEAERO CN(Cc1ccsc1)C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000136146472 419439939 /nfs/dbraw/zinc/43/99/39/419439939.db2.gz FRVXLULEYBGFRX-CYBMUJFWSA-N 1 0 252.383 2.239 10 0 CEAERO CCOc1ccc(NC(=O)C[C@H]([NH3+])C(C)C)cc1 ZINC000136292684 419441089 /nfs/dbraw/zinc/44/10/89/419441089.db2.gz WBMXXAMVDBZMQI-ZDUSSCGKSA-N 1 0 250.342 2.397 10 0 CEAERO COCCOc1cccc(NC(=O)C[C@H]([NH3+])C(C)C)c1 ZINC000136369282 419443344 /nfs/dbraw/zinc/44/33/44/419443344.db2.gz AOMWXRRWQKJCAP-AWEZNQCLSA-N 1 0 280.368 2.024 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]1c1cccnc1 ZINC000136313812 419443676 /nfs/dbraw/zinc/44/36/76/419443676.db2.gz OQKKEJJUJALDEX-UONOGXRCSA-N 1 0 261.369 2.119 10 0 CEAERO CC(=O)Nc1ccc(C)c(NC(=O)C[C@@H]([NH3+])C(C)C)c1 ZINC000136320975 419445361 /nfs/dbraw/zinc/44/53/61/419445361.db2.gz PVQOEBWUPVABPZ-CYBMUJFWSA-N 1 0 277.368 2.265 10 0 CEAERO COc1ccc(OC)c(NC(=O)C[C@H]([NH3+])C(C)C)c1 ZINC000136297323 419445559 /nfs/dbraw/zinc/44/55/59/419445559.db2.gz QCVFFSPHVDIIFI-NSHDSACASA-N 1 0 266.341 2.016 10 0 CEAERO Cc1nc2cc(NC(=O)C[C@H]([NH3+])C(C)C)ccc2o1 ZINC000136431259 419447476 /nfs/dbraw/zinc/44/74/76/419447476.db2.gz UAWWCKQBMUWCOV-NSHDSACASA-N 1 0 261.325 2.448 10 0 CEAERO COc1ccc([C@@H](C)NC(=O)C[C@H]([NH3+])C(C)C)cc1 ZINC000136481123 419448107 /nfs/dbraw/zinc/44/81/07/419448107.db2.gz SSBGEPKQNIIEKY-RISCZKNCSA-N 1 0 264.369 2.246 10 0 CEAERO O=C(OCc1ccccc1)N1CC[C@@]12CCC[NH2+]C2 ZINC000091690552 260482377 /nfs/dbraw/zinc/48/23/77/260482377.db2.gz PSWWJLDDNOFCJW-OAHLLOKOSA-N 1 0 260.337 2.151 10 0 CEAERO COc1cc(CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)ccc1C ZINC000237354504 260683389 /nfs/dbraw/zinc/68/33/89/260683389.db2.gz ZIIFOPZVSBWMBY-KBPBESRZSA-N 1 0 276.380 2.137 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]CCc2nccs2)C12CCOCC2 ZINC000186301129 270249587 /nfs/dbraw/zinc/24/95/87/270249587.db2.gz SZQFKRGIVZWEDA-CHWSQXEVSA-N 1 0 296.436 2.249 10 0 CEAERO [NH3+]C[C@@H]1CCCN1C(=O)Nc1ccc(Br)cc1 ZINC000335649275 274948575 /nfs/dbraw/zinc/94/85/75/274948575.db2.gz SJKDRKZTJBMPIW-NSHDSACASA-N 1 0 298.184 2.404 10 0 CEAERO C[C@H]([NH2+]CC(=O)NC1CC1)c1ccc(Cl)s1 ZINC000035247478 270224841 /nfs/dbraw/zinc/22/48/41/270224841.db2.gz MMCBSBAZOLLERP-ZETCQYMHSA-N 1 0 258.774 2.331 10 0 CEAERO CCc1ccc(-c2noc([C@H]3C[C@@H](OC)C[NH2+]3)n2)cc1 ZINC000036825427 270224982 /nfs/dbraw/zinc/22/49/82/270224982.db2.gz HPABAQQGJGKYNR-CHWSQXEVSA-N 1 0 273.336 2.348 10 0 CEAERO CC[C@@H]1CN(C(=O)C[C@@H]2CCC[C@@H]2C)CC[N@@H+]1CCOC ZINC000185953554 270247887 /nfs/dbraw/zinc/24/78/87/270247887.db2.gz JGUNFFSBCAGEPL-HRCADAONSA-N 1 0 296.455 2.382 10 0 CEAERO Cc1c([C@@H](C)[NH2+]C[C@H](C)N2CCOCC2)cnn1C(C)C ZINC000191145181 270272429 /nfs/dbraw/zinc/27/24/29/270272429.db2.gz LKBRKFKJPJQWSE-UONOGXRCSA-N 1 0 294.443 2.144 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)Cc2ccc(C)o2)C1 ZINC000194288887 270295995 /nfs/dbraw/zinc/29/59/95/270295995.db2.gz GLQOXBGQAFEHKF-CYBMUJFWSA-N 1 0 279.384 2.214 10 0 CEAERO CC[C@](C)(O)C[N@@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000229977558 270313250 /nfs/dbraw/zinc/31/32/50/270313250.db2.gz FKZWNANHSWARHS-HNNXBMFYSA-N 1 0 286.416 2.090 10 0 CEAERO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC(=O)N[C@H]2C)C1 ZINC000392866151 270341330 /nfs/dbraw/zinc/34/13/30/270341330.db2.gz HKYQOCDJJVOMAA-CRWXNKLISA-N 1 0 252.402 2.458 10 0 CEAERO CCOc1ccccc1[C@H](C)[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000393002425 270341642 /nfs/dbraw/zinc/34/16/42/270341642.db2.gz LWZDCYAHOCWWON-SCRDCRAPSA-N 1 0 276.380 2.403 10 0 CEAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC000392863316 270341750 /nfs/dbraw/zinc/34/17/50/270341750.db2.gz KYRFAZWYCREXHY-IAQYHMDHSA-N 1 0 258.365 2.321 10 0 CEAERO CSCC1CCC([NH2+][C@H]2CCC(=O)N[C@@H]2C)CC1 ZINC000392887438 270341894 /nfs/dbraw/zinc/34/18/94/270341894.db2.gz LRZXHZKZXPBOPR-XVSSEFHLSA-N 1 0 270.442 2.165 10 0 CEAERO CCOC(=O)CCCCC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398761339 270363108 /nfs/dbraw/zinc/36/31/08/270363108.db2.gz HQEFGVFLDNPDEL-SOUVJXGZSA-N 1 0 283.412 2.203 10 0 CEAERO CC1(C)CN(c2ncnc3sccc32)CC[C@@H]1[NH3+] ZINC000261579296 273585879 /nfs/dbraw/zinc/58/58/79/273585879.db2.gz PKUMUPVRTPBWTM-JTQLQIEISA-N 1 0 262.382 2.255 10 0 CEAERO Clc1nc2ccccc2nc1O[C@H]1CCC[NH2+]C1 ZINC000040434375 274885477 /nfs/dbraw/zinc/88/54/77/274885477.db2.gz RLTXFTLWWLZYEN-VIFPVBQESA-N 1 0 263.728 2.414 10 0 CEAERO FC(F)(F)c1ccc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)nc1 ZINC000261580879 274906669 /nfs/dbraw/zinc/90/66/69/274906669.db2.gz FSASLCUAFDRPDH-VHSXEESVSA-N 1 0 271.286 2.146 10 0 CEAERO CC(C)([NH3+])CNC(=O)[C@H]1CCCO[C@H]1c1ccccc1 ZINC000127540460 275863075 /nfs/dbraw/zinc/86/30/75/275863075.db2.gz LZJCRZZZFKREQJ-KBPBESRZSA-N 1 0 276.380 2.008 10 0 CEAERO CCC[C@H](C)[NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182337201 276041083 /nfs/dbraw/zinc/04/10/83/276041083.db2.gz BQYXHLPVBBRCSU-WCQYABFASA-N 1 0 278.400 2.002 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000037042618 276043331 /nfs/dbraw/zinc/04/33/31/276043331.db2.gz BXRYVVGBDZCTFV-AEJSXWLSSA-N 1 0 266.307 2.351 10 0 CEAERO CC1(C)CN(c2ncccc2C(F)(F)F)CC[NH2+]1 ZINC000147510548 276137104 /nfs/dbraw/zinc/13/71/04/276137104.db2.gz WZUUGUDGXFTPHM-UHFFFAOYSA-N 1 0 259.275 2.289 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccccc1NC ZINC000092634067 276181949 /nfs/dbraw/zinc/18/19/49/276181949.db2.gz ZSGSFRQIDQVGIY-ZDUSSCGKSA-N 1 0 275.396 2.285 10 0 CEAERO CCCCOCC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000118196600 276237774 /nfs/dbraw/zinc/23/77/74/276237774.db2.gz GFJWNIKYVKHSMA-HNNXBMFYSA-N 1 0 278.396 2.222 10 0 CEAERO CCC[NH+](CCC)CCCNC(=O)[C@@H]1CCCO[C@@H]1C ZINC000191160710 276252856 /nfs/dbraw/zinc/25/28/56/276252856.db2.gz ZNNLWIOTWAGFGI-HUUCEWRRSA-N 1 0 284.444 2.430 10 0 CEAERO CCN(CC)C[C@H](C)[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085637470 276334154 /nfs/dbraw/zinc/33/41/54/276334154.db2.gz MFZLQDIUEZUWDR-XUXIUFHCSA-N 1 0 254.418 2.120 10 0 CEAERO CC(C)(C)OCC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000123138395 277215129 /nfs/dbraw/zinc/21/51/29/277215129.db2.gz UTYYXGGSROHLDB-HIFRSBDPSA-N 1 0 255.402 2.429 10 0 CEAERO C[NH2+]C[C@@H]1CCCN(c2nc3ccccc3nc2C)C1 ZINC000052099571 277275953 /nfs/dbraw/zinc/27/59/53/277275953.db2.gz WIOZWYWDUCTHDN-ZDUSSCGKSA-N 1 0 270.380 2.374 10 0 CEAERO COc1cc2c(c(Br)c1OC)CC[NH2+]C2 ZINC000068591441 277390150 /nfs/dbraw/zinc/39/01/50/277390150.db2.gz VTDGZPKGEUXCPY-UHFFFAOYSA-N 1 0 272.142 2.112 10 0 CEAERO COCC[C@@H](C)[NH2+][C@H]1CC(=O)N(C)c2ccccc21 ZINC000081705885 277544853 /nfs/dbraw/zinc/54/48/53/277544853.db2.gz JTHANMBANIQOOG-YPMHNXCESA-N 1 0 262.353 2.109 10 0 CEAERO COCC[C@H](C)NC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000101777014 277551009 /nfs/dbraw/zinc/55/10/09/277551009.db2.gz GHGACAJSRJAPSN-DZGCQCFKSA-N 1 0 293.411 2.014 10 0 CEAERO C1C[C@@H]([NH2+]C2CCCCC2)[C@@H]([C@H]2COCCN2)C1 ZINC000261918331 277759994 /nfs/dbraw/zinc/75/99/94/277759994.db2.gz JXXHLSPEDWPDEU-RRFJBIMHSA-N 1 0 252.402 2.066 10 0 CEAERO CC(C)[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000247049294 277780557 /nfs/dbraw/zinc/78/05/57/277780557.db2.gz WREHSDCUKATMSD-HZSPNIEDSA-N 1 0 252.402 2.399 10 0 CEAERO COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCO[C@@H]1C)CC2 ZINC000149400235 277968208 /nfs/dbraw/zinc/96/82/08/277968208.db2.gz KBJWKUHSMFLHQG-XFJVYGCCSA-N 1 0 261.365 2.320 10 0 CEAERO CC(C)c1ccc(S(=O)(=O)N[C@](C)(C[NH3+])C2CC2)cc1 ZINC000133739860 278043717 /nfs/dbraw/zinc/04/37/17/278043717.db2.gz LUKWMQXJFLGYBP-OAHLLOKOSA-N 1 0 296.436 2.216 10 0 CEAERO CC1(C)CN(C(=O)c2cccc3c2CCCN3)CC[C@H]1[NH3+] ZINC000261804376 278324702 /nfs/dbraw/zinc/32/47/02/278324702.db2.gz HDHBIJQAOAHYFV-OAHLLOKOSA-N 1 0 287.407 2.244 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CCc2ccsc2C1 ZINC000335553444 278511261 /nfs/dbraw/zinc/51/12/61/278511261.db2.gz 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SOEJYHIVNZYQBY-STQMWFEESA-N 1 0 265.401 2.197 10 0 CEAERO COC[C@@H]([NH3+])C(=O)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000262283349 292816535 /nfs/dbraw/zinc/81/65/35/292816535.db2.gz XMQOQWFVLHAWTL-CVEARBPZSA-N 1 0 288.391 2.029 10 0 CEAERO COC[C@H]([NH2+][C@H](CN(C)C)c1ccccc1)C1CC1 ZINC000126039089 293167073 /nfs/dbraw/zinc/16/70/73/293167073.db2.gz MMOYKFCYNXZGNA-CVEARBPZSA-N 1 0 262.397 2.304 10 0 CEAERO Cc1nnc([C@H]2CCCC[N@@H+]2CC2CCOCC2)[nH]1 ZINC000328618235 293385607 /nfs/dbraw/zinc/38/56/07/293385607.db2.gz UXTFBBPSMADXCJ-CYBMUJFWSA-N 1 0 264.373 2.067 10 0 CEAERO CO[C@@H](C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1ccccc1 ZINC000128952246 293395656 /nfs/dbraw/zinc/39/56/56/293395656.db2.gz XGVQJOWSSRJVAT-HZPDHXFCSA-N 1 0 292.423 2.467 10 0 CEAERO CO[C@H](C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000248596663 294274326 /nfs/dbraw/zinc/27/43/26/294274326.db2.gz MQCPRGCRQLDTFW-XJFOESAGSA-N 1 0 298.427 2.256 10 0 CEAERO [NH3+]C1CCN(C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC000037921466 295213431 /nfs/dbraw/zinc/21/34/31/295213431.db2.gz BQGRVIMKLLQXNW-CVEARBPZSA-N 1 0 288.391 2.104 10 0 CEAERO [NH3+]Cc1nccn1Cc1ccc(Br)cc1 ZINC000051004288 527267789 /nfs/dbraw/zinc/26/77/89/527267789.db2.gz ZVFOGAMCEYXJOM-UHFFFAOYSA-N 1 0 266.142 2.153 10 0 CEAERO Cc1c(C[NH2+][C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)cnn1C ZINC000381101475 321832630 /nfs/dbraw/zinc/83/26/30/321832630.db2.gz ZPPBYEPIHPORCZ-WDEREUQCSA-N 1 0 296.415 2.120 10 0 CEAERO [NH3+][C@H]1CCC[C@@H](Nc2ccc(OC(F)F)cn2)C1 ZINC000382457872 321839961 /nfs/dbraw/zinc/83/99/61/321839961.db2.gz SEMWQOGWUITQOX-DTWKUNHWSA-N 1 0 257.284 2.365 10 0 CEAERO CCCN(CC(F)F)C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000386354230 321870588 /nfs/dbraw/zinc/87/05/88/321870588.db2.gz BZSVPCOGLGIALP-GFCCVEGCSA-N 1 0 270.323 2.060 10 0 CEAERO c1cn(Cc2ccccc2)nc1CN[C@H]1CCC[NH2+]CC1 ZINC000389947066 321893079 /nfs/dbraw/zinc/89/30/79/321893079.db2.gz UUQFXTXQYSXFMJ-INIZCTEOSA-N 1 0 284.407 2.163 10 0 CEAERO CC(C)C[C@H]1CCCN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000397004498 329319540 /nfs/dbraw/zinc/31/95/40/329319540.db2.gz RBNFHWAIGMXDPI-ZIAGYGMSSA-N 1 0 252.402 2.413 10 0 CEAERO CC1CCN([C@H]2C[NH2+]C[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000536961279 330384445 /nfs/dbraw/zinc/38/44/45/330384445.db2.gz YSCMBBGJKBYAOV-UONOGXRCSA-N 1 0 282.428 2.038 10 0 CEAERO CC(C)(C)OC(=O)N1C[C@@H]2[NH2+]Cc3ccccc3[C@H]2C1 ZINC000238107175 333183089 /nfs/dbraw/zinc/18/30/89/333183089.db2.gz SIFXOCTVGYHNIX-KGLIPLIRSA-N 1 0 274.364 2.493 10 0 CEAERO CO[C@@H]1CC[C@@H]2[C@@H]1OCC[N@@H+]2Cc1sccc1C ZINC000253599461 333185719 /nfs/dbraw/zinc/18/57/19/333185719.db2.gz QCWAXKYWCXNTCY-BZPMIXESSA-N 1 0 267.394 2.435 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)Nc1ccc(C(N)=S)cn1 ZINC000049560086 519342546 /nfs/dbraw/zinc/34/25/46/519342546.db2.gz CCPRHIJERUOLPC-GFCCVEGCSA-N 1 0 280.441 2.104 10 0 CEAERO CC(C)C1CCC([NH2+][C@]2(C)CCS(=O)(=O)C2)CC1 ZINC000054555070 519566664 /nfs/dbraw/zinc/56/66/64/519566664.db2.gz NSWUYBFOHOCRRX-JXQTWKCFSA-N 1 0 273.442 2.368 10 0 CEAERO CC(C)[NH2+][C@@](C)(C[C@@H](C)n1ccnc1C(C)C)C(N)=O ZINC000068648676 519736511 /nfs/dbraw/zinc/73/65/11/519736511.db2.gz JNWOPJWWLMBUKX-DOMZBBRYSA-N 1 0 280.416 2.200 10 0 CEAERO CC(C)[NH2+][C@@](CO[C@H]1CCCC[C@@H]1C)(C(N)=O)C1CC1 ZINC000069196137 519737688 /nfs/dbraw/zinc/73/76/88/519737688.db2.gz VZRQQTMHWNGJCG-DUVNUKRYSA-N 1 0 282.428 2.214 10 0 CEAERO CCC[NH2+]CC1([C@H]2CCS(=O)(=O)C2)CCCCC1 ZINC000054654924 519910977 /nfs/dbraw/zinc/91/09/77/519910977.db2.gz SQBOXOQMOSIWRT-ZDUSSCGKSA-N 1 0 273.442 2.371 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1sc(C)c(C)c1C(=O)OC ZINC000061267393 519942481 /nfs/dbraw/zinc/94/24/81/519942481.db2.gz RUOKPSTVUQZMLC-MRVPVSSYSA-N 1 0 298.408 2.336 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N(CC)c1cccc(F)c1 ZINC000061268006 519958875 /nfs/dbraw/zinc/95/88/75/519958875.db2.gz IJQZXHOOJOSMMH-NSHDSACASA-N 1 0 252.333 2.424 10 0 CEAERO CCC[NH2+]Cc1cnc(N2CCO[C@@H]3CCC[C@@H]32)s1 ZINC000054907049 519964141 /nfs/dbraw/zinc/96/41/41/519964141.db2.gz GTMIZFSGKAAOIT-QWHCGFSZSA-N 1 0 281.425 2.400 10 0 CEAERO CCC[NH2+]Cc1nc(CN(CC)CCOC)cs1 ZINC000052542583 519965541 /nfs/dbraw/zinc/96/55/41/519965541.db2.gz ZGSFIWYUEWNKIA-UHFFFAOYSA-N 1 0 271.430 2.111 10 0 CEAERO CCCN[C@@H](CC[N@H+](C)C(CC)CC)C(=O)OC ZINC000062448967 519993658 /nfs/dbraw/zinc/99/36/58/519993658.db2.gz BYWMHLVKAGBBCX-ZDUSSCGKSA-N 1 0 258.406 2.038 10 0 CEAERO CCCN[C@@H](CC[N@H+](C)[C@@H](C)CC)C(=O)OCC ZINC000062444837 519995905 /nfs/dbraw/zinc/99/59/05/519995905.db2.gz VFOUIEWOAFZYLA-STQMWFEESA-N 1 0 258.406 2.038 10 0 CEAERO CCC[NH2+][C@@H](CC[N@H+](C)CC1CCCCC1)C(=O)[O-] ZINC000062526679 519995994 /nfs/dbraw/zinc/99/59/94/519995994.db2.gz XOROZQBLFNAYDU-AWEZNQCLSA-N 1 0 270.417 2.341 10 0 CEAERO CCCN[C@@H](CC[N@@H+]1CCC[C@H](CC)C1)C(=O)OC ZINC000062449787 519998125 /nfs/dbraw/zinc/99/81/25/519998125.db2.gz LSDCWSXTIOXFBP-KBPBESRZSA-N 1 0 270.417 2.040 10 0 CEAERO CC[NH2+]Cc1sc(N2CCCOCC2)nc1C1CC1 ZINC000069182206 520032384 /nfs/dbraw/zinc/03/23/84/520032384.db2.gz KOCXIOQLYRPSBL-UHFFFAOYSA-N 1 0 281.425 2.357 10 0 CEAERO CC[NH2+]Cc1sc(N(C)C2CCOCC2)nc1C ZINC000054997869 520033220 /nfs/dbraw/zinc/03/32/20/520033220.db2.gz KOCDYNSBGGTRJD-UHFFFAOYSA-N 1 0 269.414 2.176 10 0 CEAERO CCC[NH2+][C@H](CS(C)(=O)=O)c1ccc(C)c(C)c1 ZINC000053327613 520084847 /nfs/dbraw/zinc/08/48/47/520084847.db2.gz LGFNVNHEUDVXPQ-CQSZACIVSA-N 1 0 269.410 2.389 10 0 CEAERO CCOC[C@@H](O)COc1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000069275956 520106751 /nfs/dbraw/zinc/10/67/51/520106751.db2.gz GHROUGOPIVRXAE-CQSZACIVSA-N 1 0 281.396 2.351 10 0 CEAERO CCCN[C@](C)(C[C@@H](C)[N@H+](C)CC1CC1)C(=O)OCC ZINC000068627755 520109854 /nfs/dbraw/zinc/10/98/54/520109854.db2.gz OFLKNLIURSVXGC-CZUORRHYSA-N 1 0 284.444 2.428 10 0 CEAERO CCC[NH2+][C@](CSC1CCCC1)(C(N)=O)C1CC1 ZINC000069190602 520125628 /nfs/dbraw/zinc/12/56/28/520125628.db2.gz RVXCYNHKHBROQS-AWEZNQCLSA-N 1 0 270.442 2.296 10 0 CEAERO CCN[C@@](C)(C[N@@H+]1CCCC(C)(C)C1)C(=O)OCC ZINC000069516632 520135663 /nfs/dbraw/zinc/13/56/63/520135663.db2.gz PSEIORANSMDSAH-HNNXBMFYSA-N 1 0 270.417 2.040 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N[C@@H](C)c1ccc(OC)c(F)c1 ZINC000061270965 520167030 /nfs/dbraw/zinc/16/70/30/520167030.db2.gz PIHXDXVMWDXJOA-MNOVXSKESA-N 1 0 282.359 2.400 10 0 CEAERO CCCC[N@H+](CC[C@@H]([NH2+]C1CC1)C(=O)[O-])[C@@H](C)CC ZINC000062527635 520538473 /nfs/dbraw/zinc/53/84/73/520538473.db2.gz PVLCYPLMIWLMPW-GXTWGEPZSA-N 1 0 270.417 2.482 10 0 CEAERO CCCCSC[C@@]([NH2+]CCC)(C(N)=O)C1CC1 ZINC000069184172 520958004 /nfs/dbraw/zinc/95/80/04/520958004.db2.gz WWSJPNJZMKCIJQ-ZDUSSCGKSA-N 1 0 258.431 2.153 10 0 CEAERO CCCC[C@H](C)NS(=O)(=O)c1ccc(C[NH3+])s1 ZINC000050890205 521151169 /nfs/dbraw/zinc/15/11/69/521151169.db2.gz USDHCGCTPVTRQB-VIFPVBQESA-N 1 0 276.427 2.064 10 0 CEAERO CCOC(=O)[C@H](CC[N@H+](C)CC1CCC1)NC(C)C ZINC000062532330 521242246 /nfs/dbraw/zinc/24/22/46/521242246.db2.gz WEPVTENGJOMFKF-AWEZNQCLSA-N 1 0 270.417 2.038 10 0 CEAERO CCCc1nc(N2CCOC[C@@H]2C)sc1C[NH2+]CC ZINC000054997298 521533027 /nfs/dbraw/zinc/53/30/27/521533027.db2.gz QWECVLQYDUICQH-NSHDSACASA-N 1 0 283.441 2.430 10 0 CEAERO CCCN(CC[NH+](C)C)C(=O)c1cnc(NC)c(Cl)c1 ZINC000050786156 521656689 /nfs/dbraw/zinc/65/66/89/521656689.db2.gz HZPFAZXVMUJEDK-UHFFFAOYSA-N 1 0 298.818 2.191 10 0 CEAERO CCC[N@H+](CCO)[C@@H](CC(N)=S)c1ccccc1 ZINC000055024969 521668482 /nfs/dbraw/zinc/66/84/82/521668482.db2.gz XGAQDHLGGUESNI-ZDUSSCGKSA-N 1 0 266.410 2.108 10 0 CEAERO COCC[C@H]([NH3+])C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000052790847 521944334 /nfs/dbraw/zinc/94/43/34/521944334.db2.gz ZPMFJUVPMSXAEW-JTQLQIEISA-N 1 0 277.151 2.296 10 0 CEAERO C[NH2+]CC[C@@H]1CCCCN1C(=O)C[C@@H]1C=CCC1 ZINC000070191847 522016257 /nfs/dbraw/zinc/01/62/57/522016257.db2.gz PCQSLRYVWOLXER-KGLIPLIRSA-N 1 0 250.386 2.333 10 0 CEAERO CC[C@H]([NH3+])c1ccc(OCCCC(=O)NC)cc1 ZINC000068816004 522346214 /nfs/dbraw/zinc/34/62/14/522346214.db2.gz UXLATKPKRFHEPG-ZDUSSCGKSA-N 1 0 250.342 2.001 10 0 CEAERO CCc1nc(N(CCOC)[C@H](C)CC)sc1C[NH3+] ZINC000055001136 522383907 /nfs/dbraw/zinc/38/39/07/522383907.db2.gz AOAMLSVMGINQDX-SNVBAGLBSA-N 1 0 271.430 2.416 10 0 CEAERO CCc1nc(N2CCO[C@H]3CCC[C@@H]32)sc1C[NH2+]C ZINC000054999092 522388060 /nfs/dbraw/zinc/38/80/60/522388060.db2.gz MXAUWZZISFPEQP-RYUDHWBXSA-N 1 0 281.425 2.183 10 0 CEAERO C[C@H]([NH2+]CCF)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400411025 533855776 /nfs/dbraw/zinc/85/57/76/533855776.db2.gz UBVVECKQICCCQT-QWRGUYRKSA-N 1 0 260.353 2.191 10 0 CEAERO C[NH2+][C@@](C)(CCCO[C@H]1C[C@@H](C)CC(C)(C)C1)C(N)=O ZINC000045474012 522409356 /nfs/dbraw/zinc/40/93/56/522409356.db2.gz PZDKYQPQSXGFFR-WWGRRREGSA-N 1 0 284.444 2.461 10 0 CEAERO C[NH2+][C@H](C)c1sc(N(CCOC)C2CC2)nc1C ZINC000054907890 522456731 /nfs/dbraw/zinc/45/67/31/522456731.db2.gz BOKQTLIRJWXVSQ-SECBINFHSA-N 1 0 269.414 2.347 10 0 CEAERO C[C@H]([NH2+]Cc1cc[nH]n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400463036 533911624 /nfs/dbraw/zinc/91/16/24/533911624.db2.gz SBXOAEKWKVYHML-NWDGAFQWSA-N 1 0 294.399 2.145 10 0 CEAERO CCO[C@H]1CCCN(c2ccc(F)cc2C(N)=[NH2+])C1 ZINC000111034263 535621104 /nfs/dbraw/zinc/62/11/04/535621104.db2.gz BWWLFRXNQDECIW-NSHDSACASA-N 1 0 265.332 2.115 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N1C[C@@H](C)Cc2ccccc21 ZINC000104004786 517670433 /nfs/dbraw/zinc/67/04/33/517670433.db2.gz LSOYRIRMNYGALI-STQMWFEESA-N 1 0 260.381 2.457 10 0 CEAERO CC(C)(C)C1CC[NH+]([C@H]2CC3(CC[C@H]2O)OCCO3)CC1 ZINC000050348008 518610056 /nfs/dbraw/zinc/61/00/56/518610056.db2.gz IMVNHDHQFKSBJG-LSDHHAIUSA-N 1 0 297.439 2.401 10 0 CEAERO CC(C)(C)[NH2+]CC1(CN2CCOC(C)(C)C2)CCOCC1 ZINC000052181941 518752297 /nfs/dbraw/zinc/75/22/97/518752297.db2.gz QTSNSPZRSSPGRC-UHFFFAOYSA-N 1 0 298.471 2.282 10 0 CEAERO CC(C)(C)[NH2+]CCN1C(=O)C(=O)c2cccc(Cl)c21 ZINC000048785394 518756450 /nfs/dbraw/zinc/75/64/50/518756450.db2.gz BLTPNJLNSPYFNV-UHFFFAOYSA-N 1 0 280.755 2.257 10 0 CEAERO CC(C)(C)SCC(=O)N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000051358479 518903963 /nfs/dbraw/zinc/90/39/63/518903963.db2.gz HDMUMQOMGGZIJE-RYUDHWBXSA-N 1 0 270.442 2.261 10 0 CEAERO CC(C)(C)n1ccnc(N(CCC[NH3+])C2CCCC2)c1=O ZINC000061758510 519165326 /nfs/dbraw/zinc/16/53/26/519165326.db2.gz GGNJQAIXUKQJLI-UHFFFAOYSA-N 1 0 292.427 2.096 10 0 CEAERO CC(C)N1C(=O)C[C@H]([NH3+])[C@H]1c1cccc(Cl)c1 ZINC000062209415 519666461 /nfs/dbraw/zinc/66/64/61/519666461.db2.gz VKXFWAWIAPSXHR-WCQYABFASA-N 1 0 252.745 2.349 10 0 CEAERO CC(C)CC[C@H](C)NS(=O)(=O)CCC[NH2+]C(C)C ZINC000069235057 519691320 /nfs/dbraw/zinc/69/13/20/519691320.db2.gz LTQPMZZUUGDOPZ-ZDUSSCGKSA-N 1 0 278.462 2.119 10 0 CEAERO CC(C)[NH2+]CCCOc1ccc(C(N)=O)cc1Cl ZINC000062791669 519720585 /nfs/dbraw/zinc/72/05/85/519720585.db2.gz GCWFZMBQYDAMEO-UHFFFAOYSA-N 1 0 270.760 2.206 10 0 CEAERO CC(C)[NH2+]CCc1nnc([C@@H]2Cc3ccccc3O2)o1 ZINC000050620229 519722848 /nfs/dbraw/zinc/72/28/48/519722848.db2.gz VKQGSYIJDPJHRN-ZDUSSCGKSA-N 1 0 273.336 2.286 10 0 CEAERO CC(C)[NH2+]C[C@@H](CCS(C)(=O)=O)Cc1ccccc1 ZINC000052952987 519723055 /nfs/dbraw/zinc/72/30/55/519723055.db2.gz XGMZEUUIJSVOBY-HNNXBMFYSA-N 1 0 283.437 2.278 10 0 CEAERO CC(C)[NH2+]C[C@@H]1CCN(Cc2ccc3c(c2)OCO3)C1 ZINC000061674929 519723476 /nfs/dbraw/zinc/72/34/76/519723476.db2.gz UVGPYNCQOWGEAH-AWEZNQCLSA-N 1 0 276.380 2.235 10 0 CEAERO CC(C)N[C@@](C)(C[C@@H](C)[NH+]1CCCCCCC1)C(N)=O ZINC000068617394 519736679 /nfs/dbraw/zinc/73/66/79/519736679.db2.gz XYQVDSRUJOLPIN-ZBFHGGJFSA-N 1 0 283.460 2.273 10 0 CEAERO CC(C)[NH2+][C@@](CO)(CN(C)c1ccccc1F)C1CC1 ZINC000070338673 519737536 /nfs/dbraw/zinc/73/75/36/519737536.db2.gz FCAINJHPKRSSQL-MRXNPFEDSA-N 1 0 280.387 2.401 10 0 CEAERO CC(C)N[C@H](CC[NH+]1CCC2(CCCCC2)CC1)C(N)=O ZINC000062532836 519738199 /nfs/dbraw/zinc/73/81/99/519738199.db2.gz WAPPUBQYRQUKMR-OAHLLOKOSA-N 1 0 295.471 2.275 10 0 CEAERO CC(C)[NH2+][C@](C)(C[C@@H](C)[N@H+](CC1CC1)C1CC1)C(=O)[O-] ZINC000068648343 519739688 /nfs/dbraw/zinc/73/96/88/519739688.db2.gz JOEULPCRHBEOIH-MLGOLLRUSA-N 1 0 282.428 2.481 10 0 CEAERO CC(C)C[NH2+]Cc1c(-n2cccn2)nc2ccccn21 ZINC000062738501 519746822 /nfs/dbraw/zinc/74/68/22/519746822.db2.gz ZVEZWERNBXGDPG-UHFFFAOYSA-N 1 0 269.352 2.266 10 0 CEAERO CC(C)C[NH2+][C@H](C(N)=O)c1ccc2ncccc2c1 ZINC000069503104 519749624 /nfs/dbraw/zinc/74/96/24/519749624.db2.gz ICTQYBLBOXXTNE-AWEZNQCLSA-N 1 0 257.337 2.007 10 0 CEAERO CC(C)[C@@H](CN(C)C)[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000049197438 519793905 /nfs/dbraw/zinc/79/39/05/519793905.db2.gz IUCSXCHWJLPGPZ-ZWKOTPCHSA-N 1 0 289.467 2.437 10 0 CEAERO CC(C)[C@@H](CN(C)C)[NH2+][C@H]1CC(=O)N(C)c2ccccc21 ZINC000049199211 519794012 /nfs/dbraw/zinc/79/40/12/519794012.db2.gz IOOJREFOWQUMFN-LSDHHAIUSA-N 1 0 289.423 2.270 10 0 CEAERO CC(C)[C@@H](C[NH+](C)C)Nc1ccc(N)c(OCC2CC2)n1 ZINC000049194715 519794174 /nfs/dbraw/zinc/79/41/74/519794174.db2.gz QRCWADTWUKTZQK-CQSZACIVSA-N 1 0 292.427 2.451 10 0 CEAERO CC(C)[C@H](C)C(=O)Nc1ccccc1OCC[NH3+] ZINC000070121808 519810528 /nfs/dbraw/zinc/81/05/28/519810528.db2.gz XTWLWYFFGXRNJP-NSHDSACASA-N 1 0 250.342 2.255 10 0 CEAERO CC(C)[C@H](CN(C)C)[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000049199087 519814432 /nfs/dbraw/zinc/81/44/32/519814432.db2.gz ADTBQPCQHWVRAY-ZDUSSCGKSA-N 1 0 295.393 2.189 10 0 CEAERO CC(C)[C@H](C[NH+](C)C)NCc1nnc(-c2ccccc2)o1 ZINC000050601882 519814736 /nfs/dbraw/zinc/81/47/36/519814736.db2.gz ONSXEKXCMGTINZ-AWEZNQCLSA-N 1 0 288.395 2.412 10 0 CEAERO CC(C)[C@H](C[NH+](C)C)N1C(=S)N=NC1C1CC1 ZINC000049219768 519815152 /nfs/dbraw/zinc/81/51/52/519815152.db2.gz FQVMYTYUNBOGKH-JTQLQIEISA-N 1 0 254.403 2.203 10 0 CEAERO CC(C)[C@H]1CCC(=O)[C@@H](C[N@@H+]2CCC[C@@H]2CO)C1 ZINC000054559236 519824400 /nfs/dbraw/zinc/82/44/00/519824400.db2.gz FLWJKEGTXSJWDB-BFHYXJOUSA-N 1 0 253.386 2.085 10 0 CEAERO CCC1CCN(CC[NH2+][C@H](C)[C@@H]2CCCO2)CC1 ZINC000053445656 519859160 /nfs/dbraw/zinc/85/91/60/519859160.db2.gz SOANFEFHYFSWQU-HIFRSBDPSA-N 1 0 254.418 2.266 10 0 CEAERO CCCN1CCO[C@H](C[NH2+]C)[C@@H]1c1ccc(F)cc1 ZINC000070288344 519861180 /nfs/dbraw/zinc/86/11/80/519861180.db2.gz NQJPNBVVHXPGPU-CABCVRRESA-N 1 0 266.360 2.197 10 0 CEAERO CCCN1CCc2nc(C3([NH3+])CCC3)sc2C1 ZINC000061713517 519863690 /nfs/dbraw/zinc/86/36/90/519863690.db2.gz AYLOBYQZIAHDPT-UHFFFAOYSA-N 1 0 251.399 2.249 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000061291202 519906449 /nfs/dbraw/zinc/90/64/49/519906449.db2.gz JFYUFFLWGAYLBW-UHFFFAOYSA-N 1 0 272.352 2.199 10 0 CEAERO CC[NH2+]C(C)(C)CN1CCN(c2ccccc2F)CC1 ZINC000061299715 519907905 /nfs/dbraw/zinc/90/79/05/519907905.db2.gz JIHVSTHTNPKTCQ-UHFFFAOYSA-N 1 0 279.403 2.336 10 0 CEAERO CCC[NH2+]CCCCOc1ccc(S(C)(=O)=O)cc1 ZINC000052701946 519912164 /nfs/dbraw/zinc/91/21/64/519912164.db2.gz KSLUGWNBHHLFIR-UHFFFAOYSA-N 1 0 285.409 2.249 10 0 CEAERO CCC[NH2+]CC1CCN(c2nccn(C(C)C)c2=O)CC1 ZINC000061772703 519912428 /nfs/dbraw/zinc/91/24/28/519912428.db2.gz RTLFNLYYRREZIM-UHFFFAOYSA-N 1 0 292.427 2.040 10 0 CEAERO CCC[NH2+]CCN(C)c1ncnc2ccsc21 ZINC000053691990 519913944 /nfs/dbraw/zinc/91/39/44/519913944.db2.gz NOMFFUGGSYWWKM-UHFFFAOYSA-N 1 0 250.371 2.127 10 0 CEAERO CC[NH2+]CCC(=O)NCc1ccccc1OC(F)(F)F ZINC000061298854 519916806 /nfs/dbraw/zinc/91/68/06/519916806.db2.gz YRNNNPWTDKJBDU-UHFFFAOYSA-N 1 0 290.285 2.201 10 0 CEAERO CCC[NH2+]C[C@@H](C(C)C)N1CCN(c2ccccn2)CC1 ZINC000052418530 519920199 /nfs/dbraw/zinc/92/01/99/519920199.db2.gz HLLMISXYBKSFRF-INIZCTEOSA-N 1 0 290.455 2.228 10 0 CEAERO CCC[NH2+]C[C@@H](C)OCc1ccc2c(c1)OCO2 ZINC000052624918 519920527 /nfs/dbraw/zinc/92/05/27/519920527.db2.gz FTSNVDUUZCJQBI-LLVKDONJSA-N 1 0 251.326 2.320 10 0 CEAERO CC[NH2+]CCCc1c(C)nc(-c2cnccn2)nc1C ZINC000054837573 519920899 /nfs/dbraw/zinc/92/08/99/519920899.db2.gz HJXNOROKTHBZOZ-UHFFFAOYSA-N 1 0 271.368 2.093 10 0 CEAERO CCC[NH2+]C[C@@H](C)c1c(C)nc(N(C)C)nc1C ZINC000054854928 519921210 /nfs/dbraw/zinc/92/12/10/519921210.db2.gz GGOCGVRGBWZKHL-SNVBAGLBSA-N 1 0 250.390 2.263 10 0 CEAERO CC(C)n1c(Sc2cccc(F)c2[C@H](C)[NH3+])n[nH]c1=O ZINC000061595934 519925196 /nfs/dbraw/zinc/92/51/96/519925196.db2.gz OMBNZKWWXXFCHK-QMMMGPOBSA-N 1 0 296.371 2.462 10 0 CEAERO CC[NH2+]CC[C@H](C)N1CCN(c2ccccc2)CC1 ZINC000052417348 519927747 /nfs/dbraw/zinc/92/77/47/519927747.db2.gz YULCFHODZZZWRQ-HNNXBMFYSA-N 1 0 261.413 2.197 10 0 CEAERO CCC[NH2+]C[C@H](C)CN1CCN(c2ccccc2)CC1 ZINC000052417297 519931532 /nfs/dbraw/zinc/93/15/32/519931532.db2.gz IQTXXCONFLZZCU-INIZCTEOSA-N 1 0 275.440 2.444 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N(Cc1ccccc1OC)C1CC1 ZINC000061236936 519933598 /nfs/dbraw/zinc/93/35/98/519933598.db2.gz DMHLKLYVSVNEKQ-CYBMUJFWSA-N 1 0 290.407 2.432 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N1CCC(Oc2ccccc2)CC1 ZINC000061234267 519933649 /nfs/dbraw/zinc/93/36/49/519933649.db2.gz VHYJAALYLKXCOC-CQSZACIVSA-N 1 0 290.407 2.302 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N1CCCc2ccccc2C1 ZINC000062945999 519934952 /nfs/dbraw/zinc/93/49/52/519934952.db2.gz UOGMWQUTTQVFRL-CYBMUJFWSA-N 1 0 260.381 2.207 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N1CCCc2cc(OC)ccc21 ZINC000061267305 519935091 /nfs/dbraw/zinc/93/50/91/519935091.db2.gz RBSOWICLWNBTFD-GFCCVEGCSA-N 1 0 276.380 2.220 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)NCc1cc2c(s1)CCC2 ZINC000061266927 519936638 /nfs/dbraw/zinc/93/66/38/519936638.db2.gz ASXMLZLQCOSTDX-SNVBAGLBSA-N 1 0 266.410 2.099 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccc(OC)cc1C ZINC000061568260 519940377 /nfs/dbraw/zinc/94/03/77/519940377.db2.gz GERAVIFBUBNIHV-LLVKDONJSA-N 1 0 250.342 2.188 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1cccc(NC(=O)OC)c1 ZINC000061234705 519941334 /nfs/dbraw/zinc/94/13/34/519941334.db2.gz HDHHWEOBEHCOJZ-SNVBAGLBSA-N 1 0 279.340 2.049 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccccc1OCC ZINC000061227322 519943499 /nfs/dbraw/zinc/94/34/99/519943499.db2.gz HLMWRMWGFUFSKA-LLVKDONJSA-N 1 0 250.342 2.269 10 0 CEAERO CCC[NH2+]Cc1cc(CN(C)CC(F)(F)F)on1 ZINC000052483298 519944351 /nfs/dbraw/zinc/94/43/51/519944351.db2.gz BSKMGCBKPFAHQW-UHFFFAOYSA-N 1 0 265.279 2.168 10 0 CEAERO CC[NH2+]C[C@@H](CCC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000052950780 519945236 /nfs/dbraw/zinc/94/52/36/519945236.db2.gz FKVLNAIHPMJMGX-CHWSQXEVSA-N 1 0 275.458 2.473 10 0 CEAERO CC[NH2+]C[C@@H](c1ccccc1)N1CCSCC1 ZINC000052443317 519948803 /nfs/dbraw/zinc/94/88/03/519948803.db2.gz APFZKYAROBPTQI-AWEZNQCLSA-N 1 0 250.411 2.386 10 0 CEAERO CC[NH2+]C[C@@H]1CC[C@@H](Cn2cnc3ccccc32)O1 ZINC000052576431 519954289 /nfs/dbraw/zinc/95/42/89/519954289.db2.gz TWPHUACGOCSSHF-STQMWFEESA-N 1 0 259.353 2.193 10 0 CEAERO CC[NH2+]C[C@@](C)(CC)Cc1nnnn1-c1ccccc1 ZINC000054660724 519958428 /nfs/dbraw/zinc/95/84/28/519958428.db2.gz OTENKMHQGPNZEH-HNNXBMFYSA-N 1 0 273.384 2.231 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N(CC)CCc1ccccc1 ZINC000061236786 519959057 /nfs/dbraw/zinc/95/90/57/519959057.db2.gz VOZSTWHFVIZRNO-AWEZNQCLSA-N 1 0 262.397 2.323 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N(C)CCCOc1ccccc1 ZINC000061236472 519959199 /nfs/dbraw/zinc/95/91/99/519959199.db2.gz NOZXTKCHSCNZOL-AWEZNQCLSA-N 1 0 278.396 2.160 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N(CC(F)(F)F)[C@@H](C)C1CC1 ZINC000061235904 519959450 /nfs/dbraw/zinc/95/94/50/519959450.db2.gz LZWRQXMLZVRVNY-UWVGGRQHSA-N 1 0 280.334 2.421 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000061230315 519960570 /nfs/dbraw/zinc/96/05/70/519960570.db2.gz HCUBAEORNIPDGS-IHRRRGAJSA-N 1 0 252.402 2.413 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1F ZINC000061231143 519964900 /nfs/dbraw/zinc/96/49/00/519964900.db2.gz MSSYBFPMDHQAGQ-VHSXEESVSA-N 1 0 270.323 2.388 10 0 CEAERO CCC[NH2+]Cc1cnc(N2CCO[C@H](C)C2)c(Cl)c1 ZINC000051400130 519965467 /nfs/dbraw/zinc/96/54/67/519965467.db2.gz HVYNFGKVXPZSTO-LLVKDONJSA-N 1 0 283.803 2.460 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1c(C)nn(C(C)C)c1C ZINC000061235030 519966350 /nfs/dbraw/zinc/96/63/50/519966350.db2.gz FARCLLYVZLICHI-JTQLQIEISA-N 1 0 266.389 2.265 10 0 CEAERO CCOCC[NH2+]CCN(CC)c1ccccc1C ZINC000053345501 519967439 /nfs/dbraw/zinc/96/74/39/519967439.db2.gz GYEJUKGUZNWMQX-UHFFFAOYSA-N 1 0 250.386 2.447 10 0 CEAERO CCC[NH2+]Cc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC000054744870 519970452 /nfs/dbraw/zinc/97/04/52/519970452.db2.gz FMGAGIVTJVOXRR-UHFFFAOYSA-N 1 0 285.273 2.181 10 0 CEAERO CC[NH2+]C[C@H]1CC[C@@H](COCc2ccc3c(c2)OCO3)O1 ZINC000052625143 519980479 /nfs/dbraw/zinc/98/04/79/519980479.db2.gz OTYIFBBIEWYVJP-KGLIPLIRSA-N 1 0 293.363 2.089 10 0 CEAERO CC[NH2+]Cc1c(N2CCCO[C@H](C)C2)nc2sccn12 ZINC000061920049 519984684 /nfs/dbraw/zinc/98/46/84/519984684.db2.gz MJFDMNFRJCLJCC-LLVKDONJSA-N 1 0 294.424 2.121 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccc(O[C@H](CC)C(N)=O)cc1 ZINC000061675816 519988791 /nfs/dbraw/zinc/98/87/91/519988791.db2.gz MVJOCLDHKOEJHP-SMDDNHRTSA-N 1 0 264.369 2.390 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccc(NC(=O)[C@@H]2COCCO2)cc1 ZINC000055297684 519989689 /nfs/dbraw/zinc/98/96/89/519989689.db2.gz DEHABCYRLLJQMU-WFASDCNBSA-N 1 0 292.379 2.101 10 0 CEAERO CC[NH2+]Cc1cc(CN2C[C@@H](C)OC[C@@H]2C)oc1C ZINC000052476385 519989868 /nfs/dbraw/zinc/98/98/68/519989868.db2.gz YEJXHBATCLNCMP-NWDGAFQWSA-N 1 0 266.385 2.307 10 0 CEAERO CC[NH2+]Cc1cc(OC)ccc1OC1CCOCC1 ZINC000069288506 519993865 /nfs/dbraw/zinc/99/38/65/519993865.db2.gz MPXYJNMULASZDD-UHFFFAOYSA-N 1 0 265.353 2.363 10 0 CEAERO CCCN[C@@H](CC[NH+](CCC)CCC)C(=O)OCC ZINC000062442048 519998612 /nfs/dbraw/zinc/99/86/12/519998612.db2.gz VQJDHBYYMRBMNM-AWEZNQCLSA-N 1 0 272.433 2.430 10 0 CEAERO CCCN[C@@H](CC[NH+]1CCC(C)CC1)C(=O)OCC ZINC000062439769 519999087 /nfs/dbraw/zinc/99/90/87/519999087.db2.gz MLSXHGQTXJATAK-AWEZNQCLSA-N 1 0 270.417 2.040 10 0 CEAERO CC[NH2+]Cc1ccc(OCCN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000052380539 519999127 /nfs/dbraw/zinc/99/91/27/519999127.db2.gz UOLZMPDGILHIBS-GJZGRUSLSA-N 1 0 292.423 2.284 10 0 CEAERO CCC[NH2+][C@@H](CS(C)(=O)=O)c1cc(C)cc(C)c1 ZINC000052789267 520011327 /nfs/dbraw/zinc/01/13/27/520011327.db2.gz OHPLBTZZUYUOFT-AWEZNQCLSA-N 1 0 269.410 2.389 10 0 CEAERO CCC[NH2+][C@@H](c1ccc2c(c1)CCCO2)[C@@H]1COCCO1 ZINC000055301022 520018336 /nfs/dbraw/zinc/01/83/36/520018336.db2.gz COJFPXGILKQQAP-IRXDYDNUSA-N 1 0 291.391 2.468 10 0 CEAERO CC(C)n1ccnc(Oc2ccccc2C[NH3+])c1=O ZINC000061770539 520023371 /nfs/dbraw/zinc/02/33/71/520023371.db2.gz FKEACZOZTKBUKP-UHFFFAOYSA-N 1 0 259.309 2.075 10 0 CEAERO CC[NH2+]Cc1nnnn1[C@@H](C)c1cccc(Cl)c1 ZINC000054747756 520028734 /nfs/dbraw/zinc/02/87/34/520028734.db2.gz VGODAVYEDKAWRM-VIFPVBQESA-N 1 0 265.748 2.045 10 0 CEAERO CC[NH2+]Cc1occc1Cn1cc(Br)cn1 ZINC000052577461 520030256 /nfs/dbraw/zinc/03/02/56/520030256.db2.gz WRGRSOPERSYOTN-UHFFFAOYSA-N 1 0 284.157 2.396 10 0 CEAERO CCCN[C@@](C)(CC[NH+]1CCC(CCC)CC1)C(N)=O ZINC000050905569 520037064 /nfs/dbraw/zinc/03/70/64/520037064.db2.gz WDERUGONZZCMKE-INIZCTEOSA-N 1 0 283.460 2.132 10 0 CEAERO CCOCCOc1ccc(CC[NH3+])cc1Br ZINC000062703717 520039285 /nfs/dbraw/zinc/03/92/85/520039285.db2.gz CVOAQQRWVFTLRS-UHFFFAOYSA-N 1 0 288.185 2.366 10 0 CEAERO CCC[NH2+][C@@](C)(C[C@@H](C)n1ccnc1CCC)C(N)=O ZINC000068650279 520044660 /nfs/dbraw/zinc/04/46/60/520044660.db2.gz IMGZJMFRWRSWGI-DOMZBBRYSA-N 1 0 280.416 2.030 10 0 CEAERO CCC[NH2+][C@@](C)(C[C@H](C)n1cnc2ccccc21)C(N)=O ZINC000068648932 520046561 /nfs/dbraw/zinc/04/65/61/520046561.db2.gz STJJJNSGOBOVKK-LRDDRELGSA-N 1 0 288.395 2.231 10 0 CEAERO CCC[NH2+][C@@](CN(CC)c1ccccc1)(C(N)=O)C1CC1 ZINC000069096313 520052349 /nfs/dbraw/zinc/05/23/49/520052349.db2.gz GJACIKCMDSPGIL-QGZVFWFLSA-N 1 0 289.423 2.147 10 0 CEAERO CCC[NH2+][C@@](COc1cccc(C)c1)(C(N)=O)C1CC1 ZINC000069197412 520057397 /nfs/dbraw/zinc/05/73/97/520057397.db2.gz QIDJCFRPXBPLTJ-MRXNPFEDSA-N 1 0 276.380 2.008 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N(C)CCCOc1ccccc1 ZINC000061272222 520059755 /nfs/dbraw/zinc/05/97/55/520059755.db2.gz UVJOHAWLCSQUFM-AWEZNQCLSA-N 1 0 278.396 2.302 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N(C)CCOc1cccc(F)c1 ZINC000061272426 520060429 /nfs/dbraw/zinc/06/04/29/520060429.db2.gz HRTANLDTLKMVSO-LBPRGKRZSA-N 1 0 282.359 2.051 10 0 CEAERO CCC[NH2+][C@H](C)c1cnc(-c2cnccn2)nc1C ZINC000054963089 520067161 /nfs/dbraw/zinc/06/71/61/520067161.db2.gz HTURLQCYZMOREL-SNVBAGLBSA-N 1 0 257.341 2.303 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1cc(NC(C)=O)ccc1F ZINC000061270175 520068737 /nfs/dbraw/zinc/06/87/37/520068737.db2.gz UPGFFVPBYLFDLF-VIFPVBQESA-N 1 0 281.331 2.111 10 0 CEAERO CC[NH2+][C@@H](C)c1cnc(N2CCOC[C@@H]2C)s1 ZINC000054903558 520079322 /nfs/dbraw/zinc/07/93/22/520079322.db2.gz KEKTZIZPCNZDNU-UWVGGRQHSA-N 1 0 255.387 2.039 10 0 CEAERO CCC[NH2+][C@H](Cc1ccncc1)c1cccnc1N ZINC000070321103 520087472 /nfs/dbraw/zinc/08/74/72/520087472.db2.gz YADQRXRLTIULNS-CQSZACIVSA-N 1 0 256.353 2.342 10 0 CEAERO CCC[NH2+][C@H]1CCCc2nc(N3CCOCC3)sc21 ZINC000054900067 520093592 /nfs/dbraw/zinc/09/35/92/520093592.db2.gz ZTFAHCIUQFCAKV-NSHDSACASA-N 1 0 281.425 2.357 10 0 CEAERO CCC[NH2+][C@H]1CCOC[C@H]1n1ncc2ccccc21 ZINC000050525652 520096378 /nfs/dbraw/zinc/09/63/78/520096378.db2.gz SKPDKHVGNAHYBO-DZGCQCFKSA-N 1 0 259.353 2.366 10 0 CEAERO CCC[NH2+][C@H]1COc2cc(OCCCC(=O)OC)ccc21 ZINC000062805072 520098511 /nfs/dbraw/zinc/09/85/11/520098511.db2.gz CMHGOXODAHXSRJ-AWEZNQCLSA-N 1 0 293.363 2.452 10 0 CEAERO CCCCCCOCCn1cc(C[NH2+]CCC)nn1 ZINC000052631171 520100125 /nfs/dbraw/zinc/10/01/25/520100125.db2.gz BHWINEFCHNXXSL-UHFFFAOYSA-N 1 0 268.405 2.375 10 0 CEAERO CC[NH2+][C@@H](Cc1ccc(OC)cc1)c1cncnc1 ZINC000052887305 520103307 /nfs/dbraw/zinc/10/33/07/520103307.db2.gz VLQUUDHDIXMVRB-HNNXBMFYSA-N 1 0 257.337 2.379 10 0 CEAERO CCCN[C@](C[N@H+](C)[C@@H](C)C1CC1)(C(=O)OC)C1CC1 ZINC000069099802 520119993 /nfs/dbraw/zinc/11/99/93/520119993.db2.gz QIVXWUWMSVUIQI-LRDDRELGSA-N 1 0 282.428 2.038 10 0 CEAERO CC[NH2+][C@@H]1CCc2c1cccc2OCCCC(=O)NC ZINC000068816980 520122157 /nfs/dbraw/zinc/12/21/57/520122157.db2.gz PYIYOINRMKDFPX-CQSZACIVSA-N 1 0 276.380 2.188 10 0 CEAERO CCCCCC[C@@H](C[NH2+]C)[C@@H]1CCS(=O)(=O)C1 ZINC000052949687 520122934 /nfs/dbraw/zinc/12/29/34/520122934.db2.gz DSKZAKPFQXWXBM-QWHCGFSZSA-N 1 0 261.431 2.227 10 0 CEAERO CC[NH2+][C@@](C)(CCCOc1ccccc1C)C(N)=O ZINC000045517181 520132634 /nfs/dbraw/zinc/13/26/34/520132634.db2.gz OHFJJQQUAMYAKE-HNNXBMFYSA-N 1 0 264.369 2.008 10 0 CEAERO CCCNc1cc(C(=O)NC[C@@H](C)[NH+](C)C)cc(Cl)n1 ZINC000050779994 520132473 /nfs/dbraw/zinc/13/24/73/520132473.db2.gz HEJBGCLWISDSQD-SNVBAGLBSA-N 1 0 298.818 2.237 10 0 CEAERO CCCNc1cc(C[N@H+](C)[C@H](C)COC)ccn1 ZINC000052724776 520136035 /nfs/dbraw/zinc/13/60/35/520136035.db2.gz NGEZAOLSJJHURC-GFCCVEGCSA-N 1 0 251.374 2.370 10 0 CEAERO CCN[C@@](C)(C[C@@H](C)[NH+]1CCC(C)(CC)CC1)C(N)=O ZINC000068645151 520139351 /nfs/dbraw/zinc/13/93/51/520139351.db2.gz IPBMXPGBHPYZPB-CJNGLKHVSA-N 1 0 283.460 2.131 10 0 CEAERO CC[NH2+][C@H](CC[N@H+](CC)CC(CC)CC)C(=O)[O-] ZINC000062461691 520187929 /nfs/dbraw/zinc/18/79/29/520187929.db2.gz UUFCRPRXRCFKIF-CYBMUJFWSA-N 1 0 258.406 2.197 10 0 CEAERO CCOC[C@H](O)C[NH2+]C[C@H](c1ccccc1)N(CC)CC ZINC000069277067 520158913 /nfs/dbraw/zinc/15/89/13/520158913.db2.gz WVTZLERYNXYKML-IAGOWNOFSA-N 1 0 294.439 2.057 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N(C)CCOc1cccc(C)c1 ZINC000061272429 520162189 /nfs/dbraw/zinc/16/21/89/520162189.db2.gz ZBXZCASRSIPVGM-CQSZACIVSA-N 1 0 278.396 2.220 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N(C)c1cccc(OC)c1 ZINC000061274526 520163638 /nfs/dbraw/zinc/16/36/38/520163638.db2.gz RVEGLJKDORIPQT-LLVKDONJSA-N 1 0 250.342 2.046 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1ccc(NC(=O)OC)cc1 ZINC000061271210 520169673 /nfs/dbraw/zinc/16/96/73/520169673.db2.gz IURVDEGRJZXACC-SNVBAGLBSA-N 1 0 279.340 2.192 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1ccc(OCCOC)cc1 ZINC000061271281 520171111 /nfs/dbraw/zinc/17/11/11/520171111.db2.gz LDJJTHMBFICUJJ-GFCCVEGCSA-N 1 0 280.368 2.038 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1nc(C2CC2)cs1 ZINC000061274172 520171626 /nfs/dbraw/zinc/17/16/26/520171626.db2.gz DITFLCWMRGNKBR-MRVPVSSYSA-N 1 0 253.371 2.347 10 0 CEAERO CC[NH2+][C@H](C)c1c(C)nn(C[C@@H]2CCCO2)c1C ZINC000054718092 520176272 /nfs/dbraw/zinc/17/62/72/520176272.db2.gz QESBIIFFJPSWPP-MFKMUULPSA-N 1 0 251.374 2.349 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(F)cc1O[C@H](C)C(=O)N(C)C ZINC000062747005 520178056 /nfs/dbraw/zinc/17/80/56/520178056.db2.gz SGNDISJUHYBQAR-GHMZBOCLSA-N 1 0 282.359 2.352 10 0 CEAERO CC[NH2+][C@H](C)c1nnn(-c2cccc(COC)c2)c1C ZINC000049511470 520182697 /nfs/dbraw/zinc/18/26/97/520182697.db2.gz RAGGSOQUQXHCBR-LLVKDONJSA-N 1 0 274.368 2.393 10 0 CEAERO CCCNc1ncccc1C(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000050779692 520194075 /nfs/dbraw/zinc/19/40/75/520194075.db2.gz SKGKXQOGQJPUDV-AWEZNQCLSA-N 1 0 292.427 2.220 10 0 CEAERO CCCNc1ncccc1CN1CCC[C@@H]1C[NH+](C)C ZINC000061653233 520196725 /nfs/dbraw/zinc/19/67/25/520196725.db2.gz WIBJOPLKNOUDBP-OAHLLOKOSA-N 1 0 276.428 2.430 10 0 CEAERO CC[NH2+][C@H](Cc1ccc(OC)cc1)c1cncnc1 ZINC000052887306 520202812 /nfs/dbraw/zinc/20/28/12/520202812.db2.gz VLQUUDHDIXMVRB-OAHLLOKOSA-N 1 0 257.337 2.379 10 0 CEAERO CC[NH2+][C@H](c1ccc2c(c1)OCCCO2)c1ccncn1 ZINC000070097707 520209857 /nfs/dbraw/zinc/20/98/57/520209857.db2.gz RGLKAGVULOWVQD-MRXNPFEDSA-N 1 0 285.347 2.337 10 0 CEAERO CC[NH2+][C@H](c1ccc2c(c1)NC(=O)CO2)C1CCOCC1 ZINC000061671926 520210165 /nfs/dbraw/zinc/21/01/65/520210165.db2.gz BNNJFHOINTZQAP-INIZCTEOSA-N 1 0 290.363 2.095 10 0 CEAERO CC[NH2+][C@H](c1ccnn1C)c1ccc(F)cc1F ZINC000069467985 520212336 /nfs/dbraw/zinc/21/23/36/520212336.db2.gz NVAUMCAWOLLSHT-ZDUSSCGKSA-N 1 0 251.280 2.397 10 0 CEAERO CC[NH2+][C@H]1COc2cc(O[C@H](C)C(=O)OCC)ccc21 ZINC000062804638 520221405 /nfs/dbraw/zinc/22/14/05/520221405.db2.gz SNSKZJSMIUCPPH-MFKMUULPSA-N 1 0 279.336 2.060 10 0 CEAERO CCN[C@](C)(C[N@@H+]1CCC[C@H](C)[C@@H]1C)C(=O)OCC ZINC000050567234 520231630 /nfs/dbraw/zinc/23/16/30/520231630.db2.gz HYXWPADSZMCHHY-KCQAQPDRSA-N 1 0 270.417 2.038 10 0 CEAERO CCN[C@](C)(C[C@H](C)[N@H+](C)CC1CCC1)C(=O)OCC ZINC000068642752 520237224 /nfs/dbraw/zinc/23/72/24/520237224.db2.gz SNHXOGPICLKUDF-XJKSGUPXSA-N 1 0 284.444 2.428 10 0 CEAERO CCN(C)CC[NH2+]C[C@@H](O)c1ccc(C(C)C)cc1 ZINC000054112129 520238402 /nfs/dbraw/zinc/23/84/02/520238402.db2.gz PAFAREMTKRJATE-MRXNPFEDSA-N 1 0 264.413 2.385 10 0 CEAERO CCNc1cc(C[N@H+](CCO)C(CC)CC)ccn1 ZINC000052729153 520273271 /nfs/dbraw/zinc/27/32/71/520273271.db2.gz KNLQNBJKGLBERM-UHFFFAOYSA-N 1 0 265.401 2.496 10 0 CEAERO CCNc1ccc(C(=O)NCC[NH+](C(C)C)C(C)C)cn1 ZINC000050718754 520287283 /nfs/dbraw/zinc/28/72/83/520287283.db2.gz QSOATKZZRNDDOM-UHFFFAOYSA-N 1 0 292.427 2.362 10 0 CEAERO CCO[C@@H](C[NH3+])CCOc1ccc(CCOC)cc1 ZINC000062741724 520308713 /nfs/dbraw/zinc/30/87/13/520308713.db2.gz MPOFWOBISOTGAW-OAHLLOKOSA-N 1 0 267.369 2.008 10 0 CEAERO CCO[C@@H](C[NH3+])COc1cccc(Br)c1 ZINC000062740424 520310940 /nfs/dbraw/zinc/31/09/40/520310940.db2.gz FSALGRSFKDOKAA-NSHDSACASA-N 1 0 274.158 2.192 10 0 CEAERO CCO[C@@H](C[NH3+])CN1c2cccc3cccc(c23)C1=O ZINC000062740040 520311837 /nfs/dbraw/zinc/31/18/37/520311837.db2.gz CNJWFVHXARXRRB-LBPRGKRZSA-N 1 0 270.332 2.164 10 0 CEAERO CCCCN(C(=O)c1c[nH+]c(NN)c(Cl)c1)C1CC1 ZINC000051095114 520362040 /nfs/dbraw/zinc/36/20/40/520362040.db2.gz YILJIVOMKOHAAH-UHFFFAOYSA-N 1 0 282.775 2.425 10 0 CEAERO CCNc1ncc(C(=O)NCC(C)(C)[NH+](C)C)cc1Cl ZINC000050790659 520364196 /nfs/dbraw/zinc/36/41/96/520364196.db2.gz DOGPQBOITMIKKZ-UHFFFAOYSA-N 1 0 298.818 2.237 10 0 CEAERO CCCOc1ccc(OC[C@H](C[NH3+])OCC)cc1 ZINC000062740337 520410019 /nfs/dbraw/zinc/41/00/19/520410019.db2.gz GAGKNXHNQRQABS-AWEZNQCLSA-N 1 0 253.342 2.218 10 0 CEAERO CCN(CC(F)(F)F)C(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050951519 520414206 /nfs/dbraw/zinc/41/42/06/520414206.db2.gz XFCBKVQBXWUUHE-JTQLQIEISA-N 1 0 266.307 2.320 10 0 CEAERO CCN(CC(F)(F)F)C(=O)CCC1CC[NH2+]CC1 ZINC000050951516 520415792 /nfs/dbraw/zinc/41/57/92/520415792.db2.gz UYDUWVYPZOVGNH-UHFFFAOYSA-N 1 0 266.307 2.177 10 0 CEAERO CCN(CC(F)(F)F)C(=O)C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000055137081 520416342 /nfs/dbraw/zinc/41/63/42/520416342.db2.gz RDHNBWBWRWDOTK-VHSXEESVSA-N 1 0 266.307 2.305 10 0 CEAERO CCCOc1ccc([C@H]([NH3+])Cn2ccc(=O)cc2)cc1 ZINC000061627918 520427573 /nfs/dbraw/zinc/42/75/73/520427573.db2.gz GZHFMWHRTKTQGW-MRXNPFEDSA-N 1 0 272.348 2.337 10 0 CEAERO CCCOc1cccc(C[C@H](C[NH3+])C(=O)NC(C)C)c1 ZINC000052920856 520456064 /nfs/dbraw/zinc/45/60/64/520456064.db2.gz RZRXBKSNUSZSGH-CQSZACIVSA-N 1 0 278.396 2.117 10 0 CEAERO CCCC[NH+](CCCC)CC[C@@H](NCCC)C(N)=O ZINC000062444431 520494989 /nfs/dbraw/zinc/49/49/89/520494989.db2.gz FSWZJTJQIDUHSX-CQSZACIVSA-N 1 0 271.449 2.132 10 0 CEAERO CCCOc1nc(N[C@@H](C)C[NH+]2CCCC2)ccc1N ZINC000049152318 520495693 /nfs/dbraw/zinc/49/56/93/520495693.db2.gz IXZDFYBKZNKVIP-LBPRGKRZSA-N 1 0 278.400 2.349 10 0 CEAERO CCC[C@@H](C)[N@H+](C)Cc1cccnc1C(N)=S ZINC000061659749 520646957 /nfs/dbraw/zinc/64/69/57/520646957.db2.gz DXGYYXIQWZHPRM-SNVBAGLBSA-N 1 0 251.399 2.336 10 0 CEAERO CC[NH+](CC)CCc1nc(C)c(C(C)C)c(NN)n1 ZINC000061688981 520711819 /nfs/dbraw/zinc/71/18/19/520711819.db2.gz QOVCKQJSZIPREV-UHFFFAOYSA-N 1 0 265.405 2.078 10 0 CEAERO CCN(CC)C[C@@H](C)[NH2+]Cc1cc(C)n(C)c1C ZINC000052790544 520720014 /nfs/dbraw/zinc/72/00/14/520720014.db2.gz ZDZYFFXTEXLLJT-GFCCVEGCSA-N 1 0 251.418 2.462 10 0 CEAERO CC[NH+](CC)C[C@@H](C)NC(=O)c1cnc(NC)c(Cl)c1 ZINC000050780573 520720625 /nfs/dbraw/zinc/72/06/25/520720625.db2.gz RJWJFYUCKGHNML-SNVBAGLBSA-N 1 0 298.818 2.237 10 0 CEAERO CCN(CC)c1ccc(F)cc1C[NH2+]CCOC ZINC000062734123 520913862 /nfs/dbraw/zinc/91/38/62/520913862.db2.gz BNOUZRKLFQSDAC-UHFFFAOYSA-N 1 0 254.349 2.408 10 0 CEAERO CCN(CC)c1nc(C)c(CCC[NH2+]CCOC)c(C)n1 ZINC000054837951 520925269 /nfs/dbraw/zinc/92/52/69/520925269.db2.gz DXCKVPZOQKGJPE-UHFFFAOYSA-N 1 0 294.443 2.108 10 0 CEAERO CCC[C@@]1(C(=O)Nc2ccc(C)cn2)CCC[NH2+]C1 ZINC000062852967 520943940 /nfs/dbraw/zinc/94/39/40/520943940.db2.gz RRCTVOVOBJPYDP-OAHLLOKOSA-N 1 0 261.369 2.498 10 0 CEAERO CCOc1ccc(Cl)cc1NC(=O)[C@H]1CC[NH2+]C1 ZINC000062114412 521015955 /nfs/dbraw/zinc/01/59/55/521015955.db2.gz GTORHFCSEXMEBY-VIFPVBQESA-N 1 0 268.744 2.287 10 0 CEAERO CCCC[C@@H](CC)COCC[C@](C)([NH3+])C(=O)OC ZINC000045474487 521038596 /nfs/dbraw/zinc/03/85/96/521038596.db2.gz BLJFOFQZFWEZGW-OCCSQVGLSA-N 1 0 259.390 2.500 10 0 CEAERO CCN(CC[NH2+]C1CCOCC1)c1cccc(F)c1 ZINC000062767811 521075338 /nfs/dbraw/zinc/07/53/38/521075338.db2.gz NRKJJZWOGVFZFY-UHFFFAOYSA-N 1 0 266.360 2.421 10 0 CEAERO CCN(CCOC)[C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062710844 521137470 /nfs/dbraw/zinc/13/74/70/521137470.db2.gz MVOBRTWGXWXTRK-LBPRGKRZSA-N 1 0 276.302 2.072 10 0 CEAERO CCC[C@H](NC(=O)[C@H]1CCC[NH2+]1)c1cccs1 ZINC000049546949 521142388 /nfs/dbraw/zinc/14/23/88/521142388.db2.gz OQPVSTKYEDQLFP-WDEREUQCSA-N 1 0 252.383 2.458 10 0 CEAERO CCCC[C@H](C)[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000050888474 521148098 /nfs/dbraw/zinc/14/80/98/521148098.db2.gz GJEGCKQXPYBQQC-SWLSCSKDSA-N 1 0 299.436 2.292 10 0 CEAERO CCOC(=O)[C@@](C)(N)C[C@@H](C)[NH+](CC1CC1)CC1CC1 ZINC000068647950 521154432 /nfs/dbraw/zinc/15/44/32/521154432.db2.gz MHPCKNDRUVTDBV-WBMJQRKESA-N 1 0 282.428 2.168 10 0 CEAERO CCOC(=O)[C@@](C)([NH3+])C[C@H](C)n1cc(C(F)(F)F)cn1 ZINC000068650422 521155624 /nfs/dbraw/zinc/15/56/24/521155624.db2.gz LWBGDRQVSFLZKN-KWQFWETISA-N 1 0 293.289 2.134 10 0 CEAERO CCC[C@H]1CN(Cc2cnn(C)c2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000068702613 521222226 /nfs/dbraw/zinc/22/22/26/521222226.db2.gz BOMWJRQJDRFTKM-JKSUJKDBSA-N 1 0 276.428 2.163 10 0 CEAERO CCOc1ccc([C@@H]([NH3+])C[C@H](C)CC(N)=O)cc1OCC ZINC000061829706 521228526 /nfs/dbraw/zinc/22/85/26/521228526.db2.gz DQTMBEYTNUQVHC-AAEUAGOBSA-N 1 0 294.395 2.385 10 0 CEAERO CCOc1ccc([C@@H](O)CN(C)CC[NH+]2CCCC2)cc1 ZINC000063052992 521231873 /nfs/dbraw/zinc/23/18/73/521231873.db2.gz MSAYLDWDWKLVTM-KRWDZBQOSA-N 1 0 292.423 2.146 10 0 CEAERO CCC[C@H]1C[C@@H]([NH2+]CC(C)(C)N2CCOCC2)CCO1 ZINC000070345549 521232615 /nfs/dbraw/zinc/23/26/15/521232615.db2.gz DPBHVSBBIMLOCD-GJZGRUSLSA-N 1 0 284.444 2.035 10 0 CEAERO CCC[C@]1(C(=O)Nc2ccc(C(=O)OC)cc2)CC[NH2+]C1 ZINC000062900334 521300544 /nfs/dbraw/zinc/30/05/44/521300544.db2.gz ROUSSPDTYDVXQY-INIZCTEOSA-N 1 0 290.363 2.192 10 0 CEAERO CCC[C@]1(C(=O)Nc2nnc(C3CC3)o2)CCC[NH2+]C1 ZINC000062859604 521300665 /nfs/dbraw/zinc/30/06/65/521300665.db2.gz HFJNRMPIAGUDBD-AWEZNQCLSA-N 1 0 278.356 2.055 10 0 CEAERO CCC(C)(C)[N@H+](C)CC[C@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000069443340 521305189 /nfs/dbraw/zinc/30/51/89/521305189.db2.gz VIHBXAWTINXMAP-AWEZNQCLSA-N 1 0 258.406 2.338 10 0 CEAERO CCOc1cccc(-c2noc([C@@]3(C)CC[NH2+]C3)n2)c1 ZINC000062917527 521314126 /nfs/dbraw/zinc/31/41/26/521314126.db2.gz FBLLIPQBDVVYEX-HNNXBMFYSA-N 1 0 273.336 2.386 10 0 CEAERO CCOc1cccc(O[C@H](C)C[NH2+]CCOC)c1 ZINC000053589525 521404650 /nfs/dbraw/zinc/40/46/50/521404650.db2.gz WRWCEVQXLQKCCW-GFCCVEGCSA-N 1 0 253.342 2.089 10 0 CEAERO CCOc1ccccc1C(=O)N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051358966 521452214 /nfs/dbraw/zinc/45/22/14/521452214.db2.gz XPDHKHXKOZGKJE-LSDHHAIUSA-N 1 0 288.391 2.442 10 0 CEAERO CCN(c1ccc(F)cc1)[C@H](C[NH3+])c1cnn(C)c1 ZINC000050011445 521489348 /nfs/dbraw/zinc/48/93/48/521489348.db2.gz PKKIYFOXNBODFW-CQSZACIVSA-N 1 0 262.332 2.086 10 0 CEAERO CCN(c1ccccc1C)S(=O)(=O)CC[NH2+]C(C)C ZINC000049641190 521500335 /nfs/dbraw/zinc/50/03/35/521500335.db2.gz ZTRGSIVXQRWMKR-UHFFFAOYSA-N 1 0 284.425 2.149 10 0 CEAERO CCN1C(=O)C[C@@H]([NH2+][C@H](c2cccs2)C(C)C)C1=O ZINC000049554878 521522724 /nfs/dbraw/zinc/52/27/24/521522724.db2.gz QJOKYFCLTBUFLJ-MFKMUULPSA-N 1 0 280.393 2.182 10 0 CEAERO CCCc1nc(N(C)[C@H](C)COC)sc1C[NH3+] ZINC000054998796 521529159 /nfs/dbraw/zinc/52/91/59/521529159.db2.gz LJSJRJFXXDAKCR-SECBINFHSA-N 1 0 257.403 2.025 10 0 CEAERO CCCc1[nH+]c2cc(N)ccc2n1CCn1ccnc1 ZINC000052855544 521542566 /nfs/dbraw/zinc/54/25/66/521542566.db2.gz LJANDXPNVXIKBL-UHFFFAOYSA-N 1 0 269.352 2.468 10 0 CEAERO CCOc1ccccc1NC(=O)c1ccc(NN)[nH+]c1 ZINC000051089487 521550815 /nfs/dbraw/zinc/55/08/15/521550815.db2.gz MRIBBQWDRBKZIP-UHFFFAOYSA-N 1 0 272.308 2.018 10 0 CEAERO CCC(CC)N(CCOC)C(=O)c1cccc(CC[NH3+])c1 ZINC000053662767 521556894 /nfs/dbraw/zinc/55/68/94/521556894.db2.gz HBGGVSBKXOHLBH-UHFFFAOYSA-N 1 0 292.423 2.465 10 0 CEAERO CCC(CC)N(CCOC)C(=O)[C@@H]1[C@H](C)CCC[C@@H]1[NH3+] ZINC000055133760 521557410 /nfs/dbraw/zinc/55/74/10/521557410.db2.gz SBHCZHJFLMVCFJ-VHDGCEQUSA-N 1 0 284.444 2.414 10 0 CEAERO CCOC(=O)c1cccnc1N[C@@H]1CCCCC[C@H]1[NH3+] ZINC000063214667 521559603 /nfs/dbraw/zinc/55/96/03/521559603.db2.gz BUQKEGSWHQZYQU-CHWSQXEVSA-N 1 0 277.368 2.330 10 0 CEAERO CCOc1ccccc1[C@@H]1[C@H](C[NH2+]C)OCCN1C(C)C ZINC000070288896 521580827 /nfs/dbraw/zinc/58/08/27/521580827.db2.gz ZZDQYHNIEIBRBJ-DLBZAZTESA-N 1 0 292.423 2.455 10 0 CEAERO CCOc1ccccc1[C@H](Cn1ccc(=O)cc1)[NH2+]C ZINC000061627797 521589159 /nfs/dbraw/zinc/58/91/59/521589159.db2.gz JOAPDDNXHQZBJO-HNNXBMFYSA-N 1 0 272.348 2.208 10 0 CEAERO CCCn1c(C[NH3+])nnc1S[C@@H]1CCC[C@H](OC)C1 ZINC000070331994 521629812 /nfs/dbraw/zinc/62/98/12/521629812.db2.gz MFSCNFCPBNVIQL-WDEREUQCSA-N 1 0 284.429 2.197 10 0 CEAERO CCCn1c(S[C@@H](C[NH3+])c2ccccc2C)n[nH]c1=O ZINC000061594791 521634759 /nfs/dbraw/zinc/63/47/59/521634759.db2.gz QXYXDYLXWPYGIG-LBPRGKRZSA-N 1 0 292.408 2.082 10 0 CEAERO CCCn1c(S[C@@H]([C@@H]([NH3+])CC)C(C)(C)C)n[nH]c1=O ZINC000061594879 521634769 /nfs/dbraw/zinc/63/47/69/521634769.db2.gz HYRUJUJMGVEVGK-UWVGGRQHSA-N 1 0 286.445 2.226 10 0 CEAERO CCC1(CC)CC(=O)N([C@@H]2CCCCC[C@H]2[NH3+])C1=O ZINC000063214949 521683874 /nfs/dbraw/zinc/68/38/74/521683874.db2.gz XKVMELNAJXMZHS-VXGBXAGGSA-N 1 0 266.385 2.212 10 0 CEAERO CCCN(Cc1cnn(CC)c1)[C@](C)(CC)C[NH3+] ZINC000050539290 521692385 /nfs/dbraw/zinc/69/23/85/521692385.db2.gz NPQHINLJAHDMBR-CQSZACIVSA-N 1 0 252.406 2.242 10 0 CEAERO CC[N@@H+]1CC[C@@H](CNC(=O)c2cccc3c2NCCC3)C1 ZINC000050957783 521710254 /nfs/dbraw/zinc/71/02/54/521710254.db2.gz JCMNZCZREJRNGN-ZDUSSCGKSA-N 1 0 287.407 2.116 10 0 CEAERO CCNC(=O)[C@H](C)Oc1ccccc1C[NH2+]C(C)(C)C ZINC000062729236 521745766 /nfs/dbraw/zinc/74/57/66/521745766.db2.gz MPWWPBSGZPBTGG-LBPRGKRZSA-N 1 0 278.396 2.478 10 0 CEAERO CCc1cccc(NC(=O)CN2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000163834419 521749973 /nfs/dbraw/zinc/74/99/73/521749973.db2.gz DFBPHXHESSXGLR-UKRRQHHQSA-N 1 0 289.423 2.104 10 0 CEAERO C[NH+](C)CCNc1nnc(Cl)c2ccccc21 ZINC000050529107 521792174 /nfs/dbraw/zinc/79/21/74/521792174.db2.gz UHHLFWZKAIYYAX-UHFFFAOYSA-N 1 0 250.733 2.257 10 0 CEAERO COc1c(C)cnc(CN2CC[NH2+][C@](C)(C3CC3)C2)c1C ZINC000068694013 521811645 /nfs/dbraw/zinc/81/16/45/521811645.db2.gz DKHCYMGUOBXWFA-KRWDZBQOSA-N 1 0 289.423 2.281 10 0 CEAERO COCC[C@@H]([NH3+])C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000052790848 521825623 /nfs/dbraw/zinc/82/56/23/521825623.db2.gz ZPMFJUVPMSXAEW-SNVBAGLBSA-N 1 0 277.151 2.296 10 0 CEAERO COCC[C@@H]([NH3+])CN(C)Cc1ccc(Cl)s1 ZINC000052810857 521832235 /nfs/dbraw/zinc/83/22/35/521832235.db2.gz XMFSDTIKRUOTGK-SECBINFHSA-N 1 0 262.806 2.197 10 0 CEAERO CCc1ccccc1C[C@@H](C[NH3+])C(=O)N1CCCCC1 ZINC000052200827 521845264 /nfs/dbraw/zinc/84/52/64/521845264.db2.gz UWRXPNFEUPJPAG-INIZCTEOSA-N 1 0 274.408 2.379 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1C(=O)c1c[nH]c2ccccc12 ZINC000061655633 521863760 /nfs/dbraw/zinc/86/37/60/521863760.db2.gz YRERGSZHTPXRDV-GFCCVEGCSA-N 1 0 271.364 2.334 10 0 CEAERO COc1cc(-c2ncc(C[NH3+])cn2)cc(Cl)c1OC ZINC000054855286 521909665 /nfs/dbraw/zinc/90/96/65/521909665.db2.gz HNMNZBLXLOVPNO-UHFFFAOYSA-N 1 0 279.727 2.273 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N1CCC[C@@H]1c1cccc(OC)c1 ZINC000061317037 521933942 /nfs/dbraw/zinc/93/39/42/521933942.db2.gz GJQSOBSYPDEVNC-CQSZACIVSA-N 1 0 276.380 2.357 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N(Cc1ccco1)Cc1ccco1 ZINC000061316890 521934069 /nfs/dbraw/zinc/93/40/69/521934069.db2.gz XXTURURPACBOFU-UHFFFAOYSA-N 1 0 276.336 2.399 10 0 CEAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000061316482 521940827 /nfs/dbraw/zinc/94/08/27/521940827.db2.gz QRHWOCYUABGKMP-UHFFFAOYSA-N 1 0 258.325 2.013 10 0 CEAERO CC[C@H](C)[C@H]([NH3+])C(=O)N(CC)C[C@@H](O)c1ccc(C)cc1 ZINC000155524221 521944205 /nfs/dbraw/zinc/94/42/05/521944205.db2.gz PQYGZNRDQPHNKN-IMJJTQAJSA-N 1 0 292.423 2.250 10 0 CEAERO COCC[C@H]([NH3+])C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000052790716 521944048 /nfs/dbraw/zinc/94/40/48/521944048.db2.gz HVMDICVZCOKLJQ-BVOGVELGSA-N 1 0 294.439 2.071 10 0 CEAERO COCC[C@H]([NH3+])C(=O)N[C@H]1CC(C)(C)Cc2oc(C)cc21 ZINC000052807920 521945078 /nfs/dbraw/zinc/94/50/78/521945078.db2.gz ODBDFKGHJDWEPS-STQMWFEESA-N 1 0 294.395 2.082 10 0 CEAERO 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/nfs/dbraw/zinc/39/41/46/523394146.db2.gz LMZAUVCTNQGJAA-GFCCVEGCSA-N 1 0 261.344 2.402 10 0 CEAERO CCn1cc(C[C@H]([NH3+])c2ccc(OC)c(OC)c2)cn1 ZINC000050542305 523395643 /nfs/dbraw/zinc/39/56/43/523395643.db2.gz UFWKYZZLRHJQJQ-ZDUSSCGKSA-N 1 0 275.352 2.163 10 0 CEAERO CCn1cc(C[C@H]([NH3+])c2ccc(F)cc2F)cn1 ZINC000062774241 523395925 /nfs/dbraw/zinc/39/59/25/523395925.db2.gz UEOIFCUSHZPSJR-ZDUSSCGKSA-N 1 0 251.280 2.424 10 0 CEAERO CCn1cc(C[C@H](Cc2nc(C)cs2)[NH2+]C)cn1 ZINC000055268021 523396017 /nfs/dbraw/zinc/39/60/17/523396017.db2.gz DFHLWHPZMNDNFU-GFCCVEGCSA-N 1 0 264.398 2.041 10 0 CEAERO CCn1cc(C[C@](C)(CC)C[NH2+]CCOC)cn1 ZINC000054661974 523397749 /nfs/dbraw/zinc/39/77/49/523397749.db2.gz LPTGLIHAKPCQMC-AWEZNQCLSA-N 1 0 253.390 2.098 10 0 CEAERO CN(Cc1cccnc1)c1ccc(Cl)c(C[NH3+])n1 ZINC000051396963 523421371 /nfs/dbraw/zinc/42/13/71/523421371.db2.gz UFMQDOPRBCJQAA-UHFFFAOYSA-N 1 0 262.744 2.225 10 0 CEAERO CN(Cc1ccncc1)C[C@@](C)([NH3+])c1ccccc1 ZINC000052883322 523462121 /nfs/dbraw/zinc/46/21/21/523462121.db2.gz RVUVAUBXXZLBRW-MRXNPFEDSA-N 1 0 255.365 2.388 10 0 CEAERO CC[C@@H]1CO[C@H](C)CN1c1ncc([C@@H](C)[NH2+]C)s1 ZINC000054908824 523519154 /nfs/dbraw/zinc/51/91/54/523519154.db2.gz FRSJZEPGIJBEHK-GMTAPVOTSA-N 1 0 269.414 2.427 10 0 CEAERO CCn1ccnc1COc1ccc2c(c1)OC[C@@H]2[NH2+]C ZINC000062804249 523542010 /nfs/dbraw/zinc/54/20/10/523542010.db2.gz JSAYQFVZXITBIT-ZDUSSCGKSA-N 1 0 273.336 2.135 10 0 CEAERO CCn1cc[nH+]c1NCCNC(=O)c1ccc(C)cc1 ZINC000050614073 523549461 /nfs/dbraw/zinc/54/94/61/523549461.db2.gz CHTGWLDTWSVOSC-UHFFFAOYSA-N 1 0 272.352 2.053 10 0 CEAERO CCn1ccnc1[C@H]([NH3+])c1cccc2ncccc21 ZINC000061418605 523558798 /nfs/dbraw/zinc/55/87/98/523558798.db2.gz DRUSGICTVDUXIU-CQSZACIVSA-N 1 0 252.321 2.499 10 0 CEAERO COC(=O)[C@@H](N[C@@H](C)[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000050507064 523638742 /nfs/dbraw/zinc/63/87/42/523638742.db2.gz HABQZYSELROXQJ-IMJJTQAJSA-N 1 0 290.407 2.221 10 0 CEAERO CO[C@@H]1CCC[C@H]([N@@H+]2CCNC[C@@H]2Cc2ccccc2)C1 ZINC000068696719 523647943 /nfs/dbraw/zinc/64/79/43/523647943.db2.gz VBSVKEIDKBINEA-OKZBNKHCSA-N 1 0 288.435 2.461 10 0 CEAERO COCCN(CCOC)[C@@H](C[NH3+])c1cc2ccccc2o1 ZINC000068811299 523723515 /nfs/dbraw/zinc/72/35/15/523723515.db2.gz BXWCHDRGSFJNJL-AWEZNQCLSA-N 1 0 292.379 2.027 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](c2nc(C(C)(C)c3ccccc3)no2)C1 ZINC000062772682 523744790 /nfs/dbraw/zinc/74/47/90/523744790.db2.gz YDFQMEYHPLDORU-STQMWFEESA-N 1 0 287.363 2.445 10 0 CEAERO COCCN(c1cc(Cl)ccc1C[NH3+])C1CC1 ZINC000062786930 523782129 /nfs/dbraw/zinc/78/21/29/523782129.db2.gz DTQBSCIVUQCJQT-UHFFFAOYSA-N 1 0 254.761 2.414 10 0 CEAERO C[N@@H+]1CCCC[C@H]1CCNc1ccc(C(N)=O)cc1 ZINC000049136319 523797399 /nfs/dbraw/zinc/79/73/99/523797399.db2.gz PPJRAYBNQFUFFN-AWEZNQCLSA-N 1 0 261.369 2.072 10 0 CEAERO C[N@@H+]1CCCC[C@H]1CCNCc1cccc2c1OCO2 ZINC000052205799 523798483 /nfs/dbraw/zinc/79/84/83/523798483.db2.gz BJLNBMLXCXVNGR-AWEZNQCLSA-N 1 0 276.380 2.379 10 0 CEAERO COc1ccc(C)cc1Cn1nc(C)c(CC[NH3+])c1C ZINC000054740962 523817003 /nfs/dbraw/zinc/81/70/03/523817003.db2.gz FEKHKCSCIUQFTG-UHFFFAOYSA-N 1 0 273.380 2.366 10 0 CEAERO COc1ccc(C)cc1Cn1ccnc1C[C@H](C)[NH3+] ZINC000062802908 523818030 /nfs/dbraw/zinc/81/80/30/523818030.db2.gz BMLHTBAJKVUHBB-LBPRGKRZSA-N 1 0 259.353 2.138 10 0 CEAERO COC(=O)[C@@](C)(N)C[C@H](C)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000068641755 523819178 /nfs/dbraw/zinc/81/91/78/523819178.db2.gz JXAYDFZIXGUYAI-QRTARXTBSA-N 1 0 290.407 2.145 10 0 CEAERO CCc1cc2c(ncnc2OC[C@@H]2CC[NH2+]C2)s1 ZINC000051888691 523851656 /nfs/dbraw/zinc/85/16/56/523851656.db2.gz XEZPBXLWDRFEJQ-SECBINFHSA-N 1 0 263.366 2.242 10 0 CEAERO COc1ccc(C)cc1[C@H](O)CN1CCC[C@@H]1C[NH+](C)C ZINC000061652601 523860051 /nfs/dbraw/zinc/86/00/51/523860051.db2.gz XIBPFUGTSLTDSJ-GDBMZVCRSA-N 1 0 292.423 2.063 10 0 CEAERO COCCN1CC[C@@H]([NH3+])[C@@H]1c1cccc(OC(C)C)c1 ZINC000070300248 523860276 /nfs/dbraw/zinc/86/02/76/523860276.db2.gz IGFOQMVZHYTZRW-CVEARBPZSA-N 1 0 278.396 2.194 10 0 CEAERO CN(C(=O)c1ccc(NN)[nH+]c1)C1CCCCCC1 ZINC000051090661 523937025 /nfs/dbraw/zinc/93/70/25/523937025.db2.gz MZGFLEDFBVTADV-UHFFFAOYSA-N 1 0 262.357 2.162 10 0 CEAERO COCC[NH2+]CCN(C)c1nc2ccccc2cc1C ZINC000063106760 523937771 /nfs/dbraw/zinc/93/77/71/523937771.db2.gz YVCABEAWFAKACD-UHFFFAOYSA-N 1 0 273.380 2.215 10 0 CEAERO COCC[NH2+]CCc1c(C)nc(C(C)(C)C)nc1C ZINC000054853990 523938594 /nfs/dbraw/zinc/93/85/94/523938594.db2.gz UPFGSHZDGDBROO-UHFFFAOYSA-N 1 0 265.401 2.169 10 0 CEAERO CC[C@H](C)[N@H+](CCOC)Cc1cccnc1NC ZINC000052729239 523939516 /nfs/dbraw/zinc/93/95/16/523939516.db2.gz CFPWBZWFALKWCI-LBPRGKRZSA-N 1 0 251.374 2.370 10 0 CEAERO COCC[NH2+]C[C@@H](C)Cc1ncc(C)c(OC)c1C ZINC000054659923 523940446 /nfs/dbraw/zinc/94/04/46/523940446.db2.gz MSSSVSKFDYBILL-NSHDSACASA-N 1 0 266.385 2.122 10 0 CEAERO COCC[NH2+]C[C@H]1CCCCN1c1ccc(Cl)cn1 ZINC000053700919 523943841 /nfs/dbraw/zinc/94/38/41/523943841.db2.gz YQBWJUZYLYZRTQ-CYBMUJFWSA-N 1 0 283.803 2.330 10 0 CEAERO COCC[NH2+]C[C@]1(Cc2cnn(C)c2)C[C@H]2CC[C@@H]1C2 ZINC000054639316 523945512 /nfs/dbraw/zinc/94/55/12/523945512.db2.gz LWXLESJPHNREBG-NUEKZKHPSA-N 1 0 277.412 2.005 10 0 CEAERO COCC[NH2+]Cc1c(C)nn(C)c1N(C)[C@H](C)C(C)(C)C ZINC000062737838 523947031 /nfs/dbraw/zinc/94/70/31/523947031.db2.gz YLXFGBKMKNRRAX-CYBMUJFWSA-N 1 0 296.459 2.335 10 0 CEAERO COCC[NH2+]Cc1ccc(-n2ccc(C)n2)c(F)c1 ZINC000062738919 523951392 /nfs/dbraw/zinc/95/13/92/523951392.db2.gz QXNURDSQVGPLKY-UHFFFAOYSA-N 1 0 263.316 2.056 10 0 CEAERO COc1ccc(CC[N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)cc1 ZINC000054603051 523953282 /nfs/dbraw/zinc/95/32/82/523953282.db2.gz WUURWUYYBJJJBI-OKILXGFUSA-N 1 0 259.349 2.434 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)Nc1ccc(OC)cc1C ZINC000061568244 524003464 /nfs/dbraw/zinc/00/34/64/524003464.db2.gz UTGSRTHAVCCLLC-NSHDSACASA-N 1 0 250.342 2.330 10 0 CEAERO COC(=O)[C@](C[N@@H+]1CCCC(C)(C)C1)(NC1CC1)C1CC1 ZINC000069516939 524005075 /nfs/dbraw/zinc/00/50/75/524005075.db2.gz FBLQSUVORNOBRK-QGZVFWFLSA-N 1 0 294.439 2.182 10 0 CEAERO COc1ccc(CN(C)Cc2cc[nH+]c(NN)c2)cc1 ZINC000052720310 524005508 /nfs/dbraw/zinc/00/55/08/524005508.db2.gz VTEOZNBYXIGVBZ-UHFFFAOYSA-N 1 0 272.352 2.008 10 0 CEAERO COc1ccc(C[NH3+])cc1COC[C@@H]1CCCCO1 ZINC000050125886 524016592 /nfs/dbraw/zinc/01/65/92/524016592.db2.gz KZSKTSFNHNQVCN-AWEZNQCLSA-N 1 0 265.353 2.240 10 0 CEAERO CN(C)C(=O)c1ccc(Cl)c(N[C@@H]2CC[N@H+](C)C2)c1 ZINC000061988240 524022659 /nfs/dbraw/zinc/02/26/59/524022659.db2.gz NTXAZBQICMUFRJ-LLVKDONJSA-N 1 0 281.787 2.158 10 0 CEAERO COCCOCc1csc(C[NH2+]C(C)(C)C)n1 ZINC000052628116 524028159 /nfs/dbraw/zinc/02/81/59/524028159.db2.gz WSYCSCODSNAUAK-UHFFFAOYSA-N 1 0 258.387 2.194 10 0 CEAERO COc1ccc(C[NH2+]CC(C)C)cc1OC[C@@H](C)O ZINC000062732531 524069153 /nfs/dbraw/zinc/06/91/53/524069153.db2.gz KYHBLUMYQGMQLS-GFCCVEGCSA-N 1 0 267.369 2.200 10 0 CEAERO CNC(=O)COc1ccc(Cl)cc1C[NH2+]C(C)(C)C ZINC000062730773 524074859 /nfs/dbraw/zinc/07/48/59/524074859.db2.gz FPJUERAMVTZHHQ-UHFFFAOYSA-N 1 0 284.787 2.353 10 0 CEAERO CNC(=O)COc1ccc(C[NH2+]CC(C)C)cc1Cl ZINC000062730346 524074928 /nfs/dbraw/zinc/07/49/28/524074928.db2.gz FAOOZPMHSZMZHA-UHFFFAOYSA-N 1 0 284.787 2.210 10 0 CEAERO C[C@H](CCCC(F)(F)F)[NH2+]CCc1nnc[nH]1 ZINC000163438817 524134324 /nfs/dbraw/zinc/13/43/24/524134324.db2.gz NOWMBYNWRRKXKI-MRVPVSSYSA-N 1 0 250.268 2.058 10 0 CEAERO COc1ccc(C[C@H](C[NH3+])C(=O)N2CCCCC2)cc1C ZINC000050596621 524154311 /nfs/dbraw/zinc/15/43/11/524154311.db2.gz IIDWCHWJEMAKTP-OAHLLOKOSA-N 1 0 290.407 2.134 10 0 CEAERO COc1ccc(Cc2nc(C)c(C[NH3+])c(C)n2)cc1 ZINC000054836904 524163375 /nfs/dbraw/zinc/16/33/75/524163375.db2.gz DAGZHVHCCZUBKZ-UHFFFAOYSA-N 1 0 257.337 2.152 10 0 CEAERO Cc1cc(C)c(C(N)=[NH2+])c(Sc2nnc3ccccn32)n1 ZINC000061406807 524218772 /nfs/dbraw/zinc/21/87/72/524218772.db2.gz URLKPFRGLWXHPB-UHFFFAOYSA-N 1 0 298.375 2.176 10 0 CEAERO Cc1cccc(C(C)C)c1NC(=O)[C@H]1C[NH2+][C@@H](C)CN1 ZINC000062813701 524240086 /nfs/dbraw/zinc/24/00/86/524240086.db2.gz ZBRSSRQCRZDFCG-GXTWGEPZSA-N 1 0 275.396 2.007 10 0 CEAERO Cc1cc(C)c(C)c(OCC[C@H]([NH2+]C(C)C)C(N)=O)c1 ZINC000062551346 524250186 /nfs/dbraw/zinc/25/01/86/524250186.db2.gz BHNJRNXAJTURRK-AWEZNQCLSA-N 1 0 278.396 2.233 10 0 CEAERO Cc1ccc(CC(=O)N2[C@@H](C)C[NH2+]C[C@@H]2C)cc1C ZINC000069132643 524258470 /nfs/dbraw/zinc/25/84/70/524258470.db2.gz WUFXLABGPHTXRY-KBPBESRZSA-N 1 0 260.381 2.055 10 0 CEAERO Cc1ccc(CC(=O)N2C[C@H](C[NH3+])CC[C@H]2C)cc1 ZINC000070179626 524259189 /nfs/dbraw/zinc/25/91/89/524259189.db2.gz KBCCMONVAIACJC-HIFRSBDPSA-N 1 0 260.381 2.123 10 0 CEAERO C[C@H]1CCN(C(=O)[C@@H](C[NH3+])c2ccccc2)[C@@H](C)C1 ZINC000061613354 524262296 /nfs/dbraw/zinc/26/22/96/524262296.db2.gz NMRYCYMGGLQYIF-YDHLFZDLSA-N 1 0 260.381 2.376 10 0 CEAERO C[C@H]1CC[C@@H](C(=O)N(C)c2cccc(F)c2)C[NH2+]1 ZINC000050009610 524329509 /nfs/dbraw/zinc/32/95/09/524329509.db2.gz YBVDBGPOCSRVSI-WDEREUQCSA-N 1 0 250.317 2.177 10 0 CEAERO C[C@H]1CC[C@@H](C(=O)NCC2CCCCC2)C[C@@H]1[NH3+] ZINC000055127144 524332860 /nfs/dbraw/zinc/33/28/60/524332860.db2.gz MOCVGQXEDTVEFB-YUTCNCBUSA-N 1 0 252.402 2.446 10 0 CEAERO C[C@H](C[NH+]1CCCCC1)Nc1cc2c(cc1N)OCCO2 ZINC000049500757 524332768 /nfs/dbraw/zinc/33/27/68/524332768.db2.gz MTCBZDFYRCVWSQ-GFCCVEGCSA-N 1 0 291.395 2.326 10 0 CEAERO C[C@H](C[NH+]1CCCCC1)Nc1ccnc(Cl)n1 ZINC000051849890 524335905 /nfs/dbraw/zinc/33/59/05/524335905.db2.gz CXTGJKMUCQRDRJ-SNVBAGLBSA-N 1 0 254.765 2.416 10 0 CEAERO C[C@H]1CC[C@H](C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)O1 ZINC000150774241 524380326 /nfs/dbraw/zinc/38/03/26/524380326.db2.gz AEUUBLPAQOTBQH-LJISPDSOSA-N 1 0 296.455 2.427 10 0 CEAERO C[C@@H](CC1CC1)[NH2+]Cc1ccc(C(N)=O)cc1F ZINC000070102322 524429093 /nfs/dbraw/zinc/42/90/93/524429093.db2.gz KWHVICNBSLZZBU-VIFPVBQESA-N 1 0 250.317 2.203 10 0 CEAERO C[C@H](CNC(=O)c1ccc(Cl)cc1N)C[NH+]1CCCC1 ZINC000059930704 524462011 /nfs/dbraw/zinc/46/20/11/524462011.db2.gz LCSSXHOTFZZISS-LLVKDONJSA-N 1 0 295.814 2.384 10 0 CEAERO C[C@@H](CC[NH+](C)C)NC(=O)c1cc2cc(N)ccc2o1 ZINC000049551529 524472782 /nfs/dbraw/zinc/47/27/82/524472782.db2.gz GVBAKBKJCKYDSQ-JTQLQIEISA-N 1 0 275.352 2.085 10 0 CEAERO C[C@H](C[NH2+]C(C)(C)C)n1nnc(-c2ccccc2)n1 ZINC000052574707 524479538 /nfs/dbraw/zinc/47/95/38/524479538.db2.gz XBDBRYMFWQNAPY-LLVKDONJSA-N 1 0 259.357 2.289 10 0 CEAERO C[C@H](C[NH2+]C1CCCC1)n1nnc(-c2ccco2)n1 ZINC000053539144 524481268 /nfs/dbraw/zinc/48/12/68/524481268.db2.gz OTVPTHOMKCJFTB-SNVBAGLBSA-N 1 0 261.329 2.026 10 0 CEAERO C[C@@H]1CCN(C(=O)c2ccccc2OC(F)F)C[C@H]1[NH3+] ZINC000070145277 524491095 /nfs/dbraw/zinc/49/10/95/524491095.db2.gz GRESVLRBKMBTSI-MWLCHTKSSA-N 1 0 284.306 2.097 10 0 CEAERO COc1ccc(NC(=O)C[C@H]2CCCC[NH2+]2)cc1C ZINC000049532369 524521460 /nfs/dbraw/zinc/52/14/60/524521460.db2.gz UBAQJWAPOTWVLG-GFCCVEGCSA-N 1 0 262.353 2.474 10 0 CEAERO Cc1cccc(N2CCN(Cc3cc(C[NH3+])co3)CC2)c1 ZINC000052418947 524558782 /nfs/dbraw/zinc/55/87/82/524558782.db2.gz CJXSNYRWRVNWDN-UHFFFAOYSA-N 1 0 285.391 2.369 10 0 CEAERO Cc1cccc(N2CCN([C@H]3CC[C@@H](C)[NH2+]C3)CC2)c1 ZINC000062948497 524561286 /nfs/dbraw/zinc/56/12/86/524561286.db2.gz SLSQSGVUCTVGJB-WBVHZDCISA-N 1 0 273.424 2.258 10 0 CEAERO COc1ccc(NC(=O)[C@@H]([NH3+])CCSC)cc1C ZINC000049532004 524588526 /nfs/dbraw/zinc/58/85/26/524588526.db2.gz MALYKJHVGWCSIC-NSHDSACASA-N 1 0 268.382 2.023 10 0 CEAERO C[C@@H](C[NH+]1CCCCC1)NC1N=NC(=S)S1 ZINC000049502250 524609197 /nfs/dbraw/zinc/60/91/97/524609197.db2.gz UWFPXWOKFRFSAZ-QMMMGPOBSA-N 1 0 258.416 2.113 10 0 CEAERO Cc1cc(CC(=O)NCC2CC[NH+](CC(C)C)CC2)no1 ZINC000062507606 524620619 /nfs/dbraw/zinc/62/06/19/524620619.db2.gz LAZGQEDZWDVPIW-UHFFFAOYSA-N 1 0 293.411 2.010 10 0 CEAERO C[C@H]1CN(Cc2occc2C[NH2+]C(C)(C)C)CCO1 ZINC000052382347 524653793 /nfs/dbraw/zinc/65/37/93/524653793.db2.gz PMSPICYIABFCHJ-LBPRGKRZSA-N 1 0 266.385 2.388 10 0 CEAERO C[C@@H](CNc1cccc(Cl)c1C(N)=S)[NH+](C)C ZINC000052907694 524756129 /nfs/dbraw/zinc/75/61/29/524756129.db2.gz LFRJMCXFOICAIK-QMMMGPOBSA-N 1 0 271.817 2.336 10 0 CEAERO Cc1cc(C[NH2+][C@@H](CC(C)C)C(=O)N(C)C)c(C)n1C ZINC000052789892 524767175 /nfs/dbraw/zinc/76/71/75/524767175.db2.gz QZHIPVMINZPAJV-HNNXBMFYSA-N 1 0 279.428 2.234 10 0 CEAERO Cc1cc(C[C@H](C)[NH3+])nc(Cc2cccc(F)c2)n1 ZINC000054835520 524828516 /nfs/dbraw/zinc/82/85/16/524828516.db2.gz HHSKGZHOHUGTJS-JTQLQIEISA-N 1 0 259.328 2.405 10 0 CEAERO C[C@H]([NH3+])[C@H]1CCCCN1c1nncc2ccccc21 ZINC000063197082 524857069 /nfs/dbraw/zinc/85/70/69/524857069.db2.gz DQPCWQWORAFTMS-SMDDNHRTSA-N 1 0 256.353 2.336 10 0 CEAERO COc1ccc(OC)c(NC(=O)[C@@H]([NH3+])c2ccccc2)c1 ZINC000055368202 524861783 /nfs/dbraw/zinc/86/17/83/524861783.db2.gz GBGSFWQLAPWQEC-HNNXBMFYSA-N 1 0 286.331 2.342 10 0 CEAERO C[C@@H]1CN(C)c2ccc(Br)cc2C[NH2+]1 ZINC000062625822 524914939 /nfs/dbraw/zinc/91/49/39/524914939.db2.gz UWFSHICMHKHZLM-MRVPVSSYSA-N 1 0 255.159 2.377 10 0 CEAERO COc1ccc(OCCN2C[C@@H](C)[NH2+]C[C@H]2C(C)C)cc1 ZINC000062707644 524957679 /nfs/dbraw/zinc/95/76/79/524957679.db2.gz STNYASBRFMFUKP-PBHICJAKSA-N 1 0 292.423 2.392 10 0 CEAERO C[C@@H](N)[C@@H](c1cccs1)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757504 525006118 /nfs/dbraw/zinc/00/61/18/525006118.db2.gz IZWHFTXTYRQDBI-BZPMIXESSA-N 1 0 268.426 2.373 10 0 CEAERO Cc1cc(F)ccc1[C@@](O)([C@H](C)[NH3+])C(F)(F)F ZINC000062784435 525006256 /nfs/dbraw/zinc/00/62/56/525006256.db2.gz AIZFBGOOLKCOIN-XVKPBYJWSA-N 1 0 251.223 2.231 10 0 CEAERO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1nnc(-c2cccs2)o1 ZINC000063195546 525009036 /nfs/dbraw/zinc/00/90/36/525009036.db2.gz UWHMEENQOYGUQC-MNOVXSKESA-N 1 0 292.408 2.500 10 0 CEAERO Cc1cc(F)ccc1[C@](O)([C@@H](C)[NH3+])C(F)(F)F ZINC000062784434 525011658 /nfs/dbraw/zinc/01/16/58/525011658.db2.gz AIZFBGOOLKCOIN-GMSGAONNSA-N 1 0 251.223 2.231 10 0 CEAERO C[C@@H]([NH3+])c1ccc(NC(=O)N2CCOCC2(C)C)cc1 ZINC000048925504 525028984 /nfs/dbraw/zinc/02/89/84/525028984.db2.gz JTZAUFKISYRUKQ-LLVKDONJSA-N 1 0 277.368 2.349 10 0 CEAERO Cc1ccc(NC(=O)CN2[C@@H](C[NH3+])CCC[C@@H]2C)cc1C ZINC000070156063 525059305 /nfs/dbraw/zinc/05/93/05/525059305.db2.gz IYRMQLNWDGUCLA-GOEBONIOSA-N 1 0 289.423 2.444 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C)N1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000069133307 525095236 /nfs/dbraw/zinc/09/52/36/525095236.db2.gz CYXBAOMAJDNNPC-INOYMQOOSA-N 1 0 276.424 2.412 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C)N1C(=O)c1cc(Cl)cn1C1CC1 ZINC000069133447 525097304 /nfs/dbraw/zinc/09/73/04/525097304.db2.gz AHFDNDUGMFJDPB-NXEZZACHSA-N 1 0 281.787 2.299 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(C)(C)c1ccccc1 ZINC000062656417 525105689 /nfs/dbraw/zinc/10/56/89/525105689.db2.gz MQZIKUHXLIUSFJ-QWHCGFSZSA-N 1 0 260.381 2.173 10 0 CEAERO CS(=O)(=O)CCC[C@@H]([NH3+])Cc1cccc(Cl)c1 ZINC000063016811 525118770 /nfs/dbraw/zinc/11/87/70/525118770.db2.gz RLDIWTIVEYXVSJ-GFCCVEGCSA-N 1 0 275.801 2.035 10 0 CEAERO C[C@@H]1CO[C@@H](C)CN1c1ncc(C[NH2+]C2CC2)s1 ZINC000054903464 525153063 /nfs/dbraw/zinc/15/30/63/525153063.db2.gz XPEBZMRCAUTKRM-ZJUUUORDSA-N 1 0 267.398 2.009 10 0 CEAERO C[C@H](NC(=O)[C@@H]1[NH2+]CCC[C@H]1C)C1CCCCC1 ZINC000052343598 525155975 /nfs/dbraw/zinc/15/59/75/525155975.db2.gz BVIIIYPQPKJJPY-MBNYWOFBSA-N 1 0 252.402 2.460 10 0 CEAERO COc1ccc([C@@H](C[NH3+])N2CCC(OC)CC2)cc1C ZINC000050596617 525178669 /nfs/dbraw/zinc/17/86/69/525178669.db2.gz XISUKFWBOGFPQQ-OAHLLOKOSA-N 1 0 278.396 2.114 10 0 CEAERO Cc1ccc(NC(=O)[C@H](C[NH3+])c2ccccc2)nc1 ZINC000061611008 525217808 /nfs/dbraw/zinc/21/78/08/525217808.db2.gz NQQGEAITUXMEJE-CYBMUJFWSA-N 1 0 255.321 2.071 10 0 CEAERO C[C@@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)NCCC1CCCC1 ZINC000055130639 525246694 /nfs/dbraw/zinc/24/66/94/525246694.db2.gz JGMPFVVQMSWVDU-XBFCOCLRSA-N 1 0 252.402 2.446 10 0 CEAERO Cc1ccc(NS(=O)(=O)C[C@H]2CCC[NH2+]2)cc1Cl ZINC000049632392 525293748 /nfs/dbraw/zinc/29/37/48/525293748.db2.gz ZZWUSQLMGGBUKI-LLVKDONJSA-N 1 0 288.800 2.142 10 0 CEAERO Cc1ccc(NS(=O)(=O)C[C@H]2CCCC[NH2+]2)c(F)c1 ZINC000049630923 525294364 /nfs/dbraw/zinc/29/43/64/525294364.db2.gz DKXXZYUTDMPMCY-LLVKDONJSA-N 1 0 286.372 2.018 10 0 CEAERO C[C@H]([NH2+]CC(=O)NCc1cccnc1)c1cccs1 ZINC000182546063 525308210 /nfs/dbraw/zinc/30/82/10/525308210.db2.gz YQADAGGLBLWSOF-NSHDSACASA-N 1 0 275.377 2.110 10 0 CEAERO COc1ccc([C@H]([NH3+])C2CCOCC2)c(OC)c1OC ZINC000061672118 525361363 /nfs/dbraw/zinc/36/13/63/525361363.db2.gz ZRTWUGHWQCBHFM-CYBMUJFWSA-N 1 0 281.352 2.139 10 0 CEAERO C[C@@H]1C[C@H](C(=O)NCCC2CCCC2)CC[C@@H]1[NH3+] ZINC000055130582 525361299 /nfs/dbraw/zinc/36/12/99/525361299.db2.gz DJWABWKRQBYNHQ-BNOWGMLFSA-N 1 0 252.402 2.446 10 0 CEAERO C[C@@H]([NH2+]CCN(C)c1cccc(F)c1)[C@@H]1CCCO1 ZINC000053436320 525446480 /nfs/dbraw/zinc/44/64/80/525446480.db2.gz XRVLNFUOQICTCQ-DOMZBBRYSA-N 1 0 266.360 2.419 10 0 CEAERO Cc1cc([C@@H](C)NC(=O)c2ccc(NN)[nH+]c2)c(C)o1 ZINC000051119324 525458231 /nfs/dbraw/zinc/45/82/31/525458231.db2.gz WNAQWWCEXDQOHY-SECBINFHSA-N 1 0 274.324 2.068 10 0 CEAERO C[C@@H]([NH2+]CCc1ccsc1)C(=O)NC(C)(C)C ZINC000049181612 525466068 /nfs/dbraw/zinc/46/60/68/525466068.db2.gz SDWGEOFKSKVHCD-SNVBAGLBSA-N 1 0 254.399 2.183 10 0 CEAERO C[C@@H](NC[C@H](O)C[NH+]1CCCCC1)c1cccc(F)c1F ZINC000183232448 525495453 /nfs/dbraw/zinc/49/54/53/525495453.db2.gz RSJABOUEVWIIOV-OLZOCXBDSA-N 1 0 298.377 2.462 10 0 CEAERO Cc1cc([C@H](C)NC(=O)c2cc[nH+]c(NN)c2)c(C)o1 ZINC000051119354 525513097 /nfs/dbraw/zinc/51/30/97/525513097.db2.gz WPOXIGWSEJBKQU-VIFPVBQESA-N 1 0 274.324 2.068 10 0 CEAERO C[C@@H]([NH2+]Cc1cncnc1)c1ccc2c(c1)OCCO2 ZINC000054767591 525554612 /nfs/dbraw/zinc/55/46/12/525554612.db2.gz FTDKHUWYPUFMTB-LLVKDONJSA-N 1 0 271.320 2.099 10 0 CEAERO COc1ccc2c(c1)[C@H](N[C@@H](C)CC[NH+](C)C)CCO2 ZINC000049554312 525590131 /nfs/dbraw/zinc/59/01/31/525590131.db2.gz CDPGPAGYEWXLGT-SWLSCSKDSA-N 1 0 278.396 2.449 10 0 CEAERO CSC[C@@H](C)C[NH2+]Cc1nc2ccccc2c(=O)[nH]1 ZINC000069443626 525623085 /nfs/dbraw/zinc/62/30/85/525623085.db2.gz NAXLJKSSKQCDTL-JTQLQIEISA-N 1 0 277.393 2.012 10 0 CEAERO Cc1c(C(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)cnn1CCC[NH3+] ZINC000070110405 525638897 /nfs/dbraw/zinc/63/88/97/525638897.db2.gz HCKHPUJDFOBEFJ-TYNCELHUSA-N 1 0 292.427 2.095 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)NCC1CCCCC1 ZINC000055127169 525663886 /nfs/dbraw/zinc/66/38/86/525663886.db2.gz CSPZAAQPONSMBI-UBHSHLNASA-N 1 0 252.402 2.446 10 0 CEAERO CSC[C@H](C)C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000069448026 525680572 /nfs/dbraw/zinc/68/05/72/525680572.db2.gz KDMKSIWFCNVUOZ-MFKMUULPSA-N 1 0 257.374 2.448 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)[C@H](C)C2C[NH2+]C2)c(C)c1 ZINC000164117582 525710844 /nfs/dbraw/zinc/71/08/44/525710844.db2.gz VOYLJORPSNMGBO-CHWSQXEVSA-N 1 0 260.381 2.336 10 0 CEAERO Cc1ccnc(S[C@@H](c2ccncc2)[C@@H](C)[NH3+])n1 ZINC000051331536 525711370 /nfs/dbraw/zinc/71/13/70/525711370.db2.gz XJERBLJZMSXMNN-ZYHUDNBSSA-N 1 0 260.366 2.361 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)[C@](C)([NH3+])C2CC2)s1 ZINC000049185490 525714521 /nfs/dbraw/zinc/71/45/21/525714521.db2.gz CGNJQNKMHQMHQX-NOZJJQNGSA-N 1 0 252.383 2.361 10 0 CEAERO COc1cccc(-c2nc([C@@H]3CCC[NH2+]C3)no2)c1OC ZINC000062257172 525726883 /nfs/dbraw/zinc/72/68/83/525726883.db2.gz VEQFFCZHSSVHQJ-SNVBAGLBSA-N 1 0 289.335 2.221 10 0 CEAERO C[C@@]([NH3+])(C(=O)NCc1ccccc1C(F)(F)F)C1CC1 ZINC000061626984 525747151 /nfs/dbraw/zinc/74/71/51/525747151.db2.gz KCVPACRDUYMEAF-ZDUSSCGKSA-N 1 0 286.297 2.449 10 0 CEAERO C[C@@]([NH3+])(C(=O)NC[C@@H]1CC=CCC1)c1ccccc1 ZINC000052883056 525747230 /nfs/dbraw/zinc/74/72/30/525747230.db2.gz ZMKBUGOSCBXAPX-CJNGLKHVSA-N 1 0 258.365 2.333 10 0 CEAERO C[C@@](O)(c1cccc(Br)c1)[C@H]1CCC[NH2+]1 ZINC000069842436 525781940 /nfs/dbraw/zinc/78/19/40/525781940.db2.gz HJLHJUTWZABFIY-VXGBXAGGSA-N 1 0 270.170 2.409 10 0 CEAERO Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCCC[C@H]2O)o1 ZINC000052000482 525795897 /nfs/dbraw/zinc/79/58/97/525795897.db2.gz NNNCACZPAHNWAH-QWHCGFSZSA-N 1 0 275.352 2.371 10 0 CEAERO C[C@@]1(C(=O)Nc2ccccc2Br)CC[NH2+]C1 ZINC000062889175 525813111 /nfs/dbraw/zinc/81/31/11/525813111.db2.gz VHLQUBGCNMONIF-GFCCVEGCSA-N 1 0 283.169 2.387 10 0 CEAERO Cc1ccc(-c2nnc(CCC[NH2+]C3CC3)o2)cc1O ZINC000050617742 525846025 /nfs/dbraw/zinc/84/60/25/525846025.db2.gz JLHNTTNEMBJTDD-UHFFFAOYSA-N 1 0 273.336 2.435 10 0 CEAERO Cc1ccc([C@H](C)[NH3+])c(OC[C@H](O)C(F)(F)F)c1 ZINC000068878244 525883383 /nfs/dbraw/zinc/88/33/83/525883383.db2.gz LHXUBJJUKFWMTD-KWQFWETISA-N 1 0 263.259 2.317 10 0 CEAERO Cc1ccc(-n2nnnc2C[NH2+]CC(C)C)cc1C ZINC000054744423 525936295 /nfs/dbraw/zinc/93/62/95/525936295.db2.gz RSPJEDCWLXBXRA-UHFFFAOYSA-N 1 0 259.357 2.025 10 0 CEAERO C[C@@H](Oc1cccc(Cl)c1)C(=O)N1[C@H](C)C[NH2+]C[C@@H]1C ZINC000069133454 525941492 /nfs/dbraw/zinc/94/14/92/525941492.db2.gz NXASKFXYDOTUQP-GRYCIOLGSA-N 1 0 296.798 2.316 10 0 CEAERO C[C@@H](Oc1cccc2c1CC[C@H]2[NH3+])C(=O)NC1CCCC1 ZINC000062798669 525947973 /nfs/dbraw/zinc/94/79/73/525947973.db2.gz KWSUUMHIBLXPOK-IAQYHMDHSA-N 1 0 288.391 2.459 10 0 CEAERO C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000051018580 525948272 /nfs/dbraw/zinc/94/82/72/525948272.db2.gz NFPRYPZDKIUROT-LEWSCRJBSA-N 1 0 296.798 2.493 10 0 CEAERO COc1cccc(C[NH2+]C(C)(C)C)c1O[C@@H]1CCOC1=O ZINC000062732232 526012188 /nfs/dbraw/zinc/01/21/88/526012188.db2.gz ZTUGRFRWNWXZPH-CYBMUJFWSA-N 1 0 293.363 2.278 10 0 CEAERO Cc1ccc(C(=O)CN(C)[C@@H]2CCC[N@H+](C)C2)s1 ZINC000053246081 526047270 /nfs/dbraw/zinc/04/72/70/526047270.db2.gz XOLFFMKEEWXFEI-GFCCVEGCSA-N 1 0 266.410 2.265 10 0 CEAERO COc1cccc(Cc2ncc([C@H](C)[NH3+])c(C)n2)c1 ZINC000054962535 526084903 /nfs/dbraw/zinc/08/49/03/526084903.db2.gz MTCGJOHNSFRZLN-JTQLQIEISA-N 1 0 257.337 2.404 10 0 CEAERO COc1cccc(Cn2nc(C)c(C[C@H](C)[NH3+])c2C)c1 ZINC000062803236 526113089 /nfs/dbraw/zinc/11/30/89/526113089.db2.gz HPUHXCOTYPSMEO-NSHDSACASA-N 1 0 273.380 2.447 10 0 CEAERO Cc1ccc2c(CN3[C@@H](C)C[NH2+]C[C@@H]3C)cc(=O)oc2c1 ZINC000069134914 526129172 /nfs/dbraw/zinc/12/91/72/526129172.db2.gz CCTJOLGNNIKYOM-STQMWFEESA-N 1 0 286.375 2.284 10 0 CEAERO Cc1ccc(C(=O)Nc2cccc(C[NH3+])c2)c(C)n1 ZINC000055329928 526225531 /nfs/dbraw/zinc/22/55/31/526225531.db2.gz BAHOCHPUOFEPPW-UHFFFAOYSA-N 1 0 255.321 2.409 10 0 CEAERO Cc1ccc(C(=O)[C@@H](C)N2CCC[NH2+]CC2)cc1C ZINC000050499182 526239550 /nfs/dbraw/zinc/23/95/50/526239550.db2.gz VOSUBZDQUJDMLD-CQSZACIVSA-N 1 0 260.381 2.170 10 0 CEAERO Cc1cnn(-c2c(C[NH2+]C(C)(C)C)c(C)nn2C)c1 ZINC000062738646 526246508 /nfs/dbraw/zinc/24/65/08/526246508.db2.gz DHKJAPIHOISDFU-UHFFFAOYSA-N 1 0 261.373 2.111 10 0 CEAERO Cc1ccc2[nH]c(SC[C@H](O)C[NH2+]C(C)C)nc2c1 ZINC000061440386 526255363 /nfs/dbraw/zinc/25/53/63/526255363.db2.gz LAUSULSXQFAAEZ-LLVKDONJSA-N 1 0 279.409 2.322 10 0 CEAERO C[C@H]1CCCC[C@H]1N(C)C(=O)c1cc[nH+]c(NN)c1 ZINC000051119188 526260837 /nfs/dbraw/zinc/26/08/37/526260837.db2.gz VDBGXWBDXDXYRP-CMPLNLGQSA-N 1 0 262.357 2.018 10 0 CEAERO O[C@H](C[NH2+]C1CC1)c1cc(Cl)c2c(c1)OCCCO2 ZINC000055029263 526275877 /nfs/dbraw/zinc/27/58/77/526275877.db2.gz RWDNEJGZGSNDBK-GFCCVEGCSA-N 1 0 283.755 2.287 10 0 CEAERO Cc1nn(CCOCC(F)(F)F)c(C)c1[C@H](C)[NH3+] ZINC000054716540 526281726 /nfs/dbraw/zinc/28/17/26/526281726.db2.gz FWWXJJIPBBSFFF-ZETCQYMHSA-N 1 0 265.279 2.099 10 0 CEAERO Cc1nn(C[C@@H]2CC[C@@H](C[NH2+]C(C)C)O2)c(C)c1C ZINC000052591635 526284933 /nfs/dbraw/zinc/28/49/33/526284933.db2.gz LBCRKMNHMUAWNK-GJZGRUSLSA-N 1 0 265.401 2.354 10 0 CEAERO Cc1nn(C[C@@H]2CCCC[NH2+]2)c(C)c1Br ZINC000050593331 526285357 /nfs/dbraw/zinc/28/53/57/526285357.db2.gz QJUFKELYAKWXGB-JTQLQIEISA-N 1 0 272.190 2.405 10 0 CEAERO Cc1nn([C@@H](c2ccccn2)[C@H](C)[NH3+])c(C)c1Cl ZINC000050586151 526302864 /nfs/dbraw/zinc/30/28/64/526302864.db2.gz FZRRZDOUBAPZQN-ISVAXAHUSA-N 1 0 264.760 2.485 10 0 CEAERO Cc1nn([C@H]2CCC[C@@H]2O)c(C)c1C[NH2+]C(C)C ZINC000054599508 526307022 /nfs/dbraw/zinc/30/70/22/526307022.db2.gz JKFWKOQPECFHKR-KBPBESRZSA-N 1 0 251.374 2.084 10 0 CEAERO O[C@H]1c2ccccc2OC[C@@H]1[NH+]1Cc2ccccc2C1 ZINC000050912088 526318285 /nfs/dbraw/zinc/31/82/85/526318285.db2.gz IFCFEQWAZLKUFI-RDJZCZTQSA-N 1 0 267.328 2.497 10 0 CEAERO Cc1nnc(C[NH2+]CCc2ccc(Cl)cc2)o1 ZINC000062639372 526344379 /nfs/dbraw/zinc/34/43/79/526344379.db2.gz QVQRKEJVDGPUKJ-UHFFFAOYSA-N 1 0 251.717 2.364 10 0 CEAERO Fc1ccc(Cn2ccnc2C[NH2+]C2CC2)c(F)c1 ZINC000051015037 526348229 /nfs/dbraw/zinc/34/82/29/526348229.db2.gz WIFTWWRCAYCFQN-UHFFFAOYSA-N 1 0 263.291 2.462 10 0 CEAERO Cc1csc(CNC[C@@H]([NH3+])Cc2ccccc2)n1 ZINC000049539107 526356844 /nfs/dbraw/zinc/35/68/44/526356844.db2.gz ZDBISXDYNLPQCX-ZDUSSCGKSA-N 1 0 261.394 2.111 10 0 CEAERO Cc1csc(Cc2ncc(C[NH2+]C(C)C)cn2)n1 ZINC000055269960 526369789 /nfs/dbraw/zinc/36/97/89/526369789.db2.gz RUMGIFYNICMGQJ-UHFFFAOYSA-N 1 0 262.382 2.330 10 0 CEAERO c1ccc(CCN2CC[NH2+]Cc3ccccc32)nc1 ZINC000062819015 526465406 /nfs/dbraw/zinc/46/54/06/526465406.db2.gz FCBOVOUGPGFPAA-UHFFFAOYSA-N 1 0 253.349 2.234 10 0 CEAERO c1cn(CCOc2ccccc2)c(C[NH2+]C2CC2)n1 ZINC000051014879 526532408 /nfs/dbraw/zinc/53/24/08/526532408.db2.gz PKJJZEWSZKIUHN-UHFFFAOYSA-N 1 0 257.337 2.214 10 0 CEAERO Cc1nnc(Sc2cccc(Cl)c2C(N)=[NH2+])[nH]1 ZINC000052908139 526533340 /nfs/dbraw/zinc/53/33/40/526533340.db2.gz PKETZMYVOBICOA-UHFFFAOYSA-N 1 0 267.745 2.202 10 0 CEAERO O=C(CC[C@H]1CCCC[NH2+]1)NC[C@@H]1Cc2ccccc2O1 ZINC000050948174 526565654 /nfs/dbraw/zinc/56/56/54/526565654.db2.gz LJACZIUNTXKUIH-CABCVRRESA-N 1 0 288.391 2.029 10 0 CEAERO c1coc(CC[NH2+]C[C@H]2Cc3ccccc3CN2)c1 ZINC000049147257 526566554 /nfs/dbraw/zinc/56/65/54/526566554.db2.gz PXYLFUHLKZNUOT-OAHLLOKOSA-N 1 0 256.349 2.126 10 0 CEAERO c1coc(CN(CC[NH2+]C2CCOCC2)C2CC2)c1 ZINC000062767880 526566876 /nfs/dbraw/zinc/56/68/76/526566876.db2.gz SDUZTOLVFNKZGH-UHFFFAOYSA-N 1 0 264.369 2.013 10 0 CEAERO O=C(CCc1ccccc1)NOCC[NH+]1CCCCC1 ZINC000062578169 526609336 /nfs/dbraw/zinc/60/93/36/526609336.db2.gz OHCSIHIIVNUOJD-UHFFFAOYSA-N 1 0 276.380 2.153 10 0 CEAERO c1nn(CC[NH2+]C2CCOCC2)cc1-c1ccccc1 ZINC000062767986 526619301 /nfs/dbraw/zinc/61/93/01/526619301.db2.gz YMMYHOLLBADBKD-UHFFFAOYSA-N 1 0 271.364 2.319 10 0 CEAERO Cc1nc(C)c([C@@H](C)NC(=O)C[C@H]2CCC[NH2+]C2)s1 ZINC000054308608 526743487 /nfs/dbraw/zinc/74/34/87/526743487.db2.gz HMGMHKAELSRLGC-ZYHUDNBSSA-N 1 0 281.425 2.327 10 0 CEAERO Cc1nc(C)n(Cc2ccc(C[NH2+]C(C)(C)C)o2)n1 ZINC000052574371 526764549 /nfs/dbraw/zinc/76/45/49/526764549.db2.gz LSQIZQDJNRDYHG-UHFFFAOYSA-N 1 0 262.357 2.424 10 0 CEAERO Cc1oc(CN2CCO[C@@H](C)C2)cc1C[NH2+]C(C)C ZINC000052382365 526770703 /nfs/dbraw/zinc/77/07/03/526770703.db2.gz ZOCPDYFMRSNLEG-LBPRGKRZSA-N 1 0 266.385 2.307 10 0 CEAERO NC(=[NH2+])c1c(Cl)cccc1OC[C@@H]1CCCO1 ZINC000052906858 526819271 /nfs/dbraw/zinc/81/92/71/526819271.db2.gz GMKCOPVJVNJVJS-QMMMGPOBSA-N 1 0 254.717 2.182 10 0 CEAERO NC(=[NH2+])c1ccc(OC2CCOCC2)c(Cl)c1 ZINC000062794763 526822824 /nfs/dbraw/zinc/82/28/24/526822824.db2.gz YRCIMNHMLUXZPH-UHFFFAOYSA-N 1 0 254.717 2.182 10 0 CEAERO NC(=[NH2+])c1cccc(CN2Cc3ccccc3C2)c1 ZINC000050911417 526824009 /nfs/dbraw/zinc/82/40/09/526824009.db2.gz VSHGGHMFSMGYLT-UHFFFAOYSA-N 1 0 251.333 2.486 10 0 CEAERO Cc1oncc1-c1nnc(CCC[NH2+]C(C)(C)C)o1 ZINC000050617788 526857643 /nfs/dbraw/zinc/85/76/43/526857643.db2.gz NHSCYNWQOCZFJS-UHFFFAOYSA-N 1 0 264.329 2.354 10 0 CEAERO Cc1sc2ncn(CC[NH2+]CC(C)C)c(=O)c2c1C ZINC000053530488 526899119 /nfs/dbraw/zinc/89/91/19/526899119.db2.gz JLKBOURZPSHKOJ-UHFFFAOYSA-N 1 0 279.409 2.320 10 0 CEAERO Cc1nc(N(C)Cc2cscn2)sc1C[NH3+] ZINC000054998551 526952333 /nfs/dbraw/zinc/95/23/33/526952333.db2.gz ROBXMNWYXWJSRX-UHFFFAOYSA-N 1 0 254.384 2.003 10 0 CEAERO Cc1[nH+]c2cc(N)ccc2n1CCCn1ccnc1 ZINC000052852194 527122373 /nfs/dbraw/zinc/12/23/73/527122373.db2.gz AFHNYCGAHPHKGC-UHFFFAOYSA-N 1 0 255.325 2.214 10 0 CEAERO [NH3+]C1CCC(Sc2nnnn2C2CCCC2)CC1 ZINC000055143739 527142568 /nfs/dbraw/zinc/14/25/68/527142568.db2.gz ORVXUIQTRNDEMA-UHFFFAOYSA-N 1 0 267.402 2.150 10 0 CEAERO [NH3+]C1CCN(c2cccc(OCC3CCOCC3)c2)CC1 ZINC000052175088 527143914 /nfs/dbraw/zinc/14/39/14/527143914.db2.gz OMVLDRNJXXMHDS-UHFFFAOYSA-N 1 0 290.407 2.420 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2ncccc21 ZINC000061416170 527146393 /nfs/dbraw/zinc/14/63/93/527146393.db2.gz VFCWQIIEWXQBJO-YHWZYXNKSA-N 1 0 281.359 2.329 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2c1cnc2ccccc2n1 ZINC000052017851 527146609 /nfs/dbraw/zinc/14/66/09/527146609.db2.gz MRVUDSKPRSHULP-YOGCLGLASA-N 1 0 254.337 2.088 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)NCc1nc2ccccc2s1 ZINC000054308685 527167508 /nfs/dbraw/zinc/16/75/08/527167508.db2.gz GGHWMJXWMHCUMI-LLVKDONJSA-N 1 0 289.404 2.302 10 0 CEAERO [NH3+]CCCN(C(=O)c1cccc2ncccc21)C1CC1 ZINC000061410316 527178740 /nfs/dbraw/zinc/17/87/40/527178740.db2.gz QGMVACXLSUBDNC-UHFFFAOYSA-N 1 0 269.348 2.188 10 0 CEAERO [NH3+]CCCc1noc(-c2ccccc2OC(F)F)n1 ZINC000054139100 527184953 /nfs/dbraw/zinc/18/49/53/527184953.db2.gz ZWHNCGRJZURMHR-UHFFFAOYSA-N 1 0 269.251 2.229 10 0 CEAERO [NH3+]CCc1cc(Cl)ccc1OCc1ncccn1 ZINC000054461677 527195146 /nfs/dbraw/zinc/19/51/46/527195146.db2.gz CZISDTSVLXMRDL-UHFFFAOYSA-N 1 0 263.728 2.210 10 0 CEAERO [NH3+]CCc1ccc(CNC(=O)c2cc(Cl)c[nH]2)cc1 ZINC000052898694 527196306 /nfs/dbraw/zinc/19/63/06/527196306.db2.gz GDNUZQFDBFCYLL-UHFFFAOYSA-N 1 0 277.755 2.099 10 0 CEAERO [NH3+]CCc1cnc(-c2cc(F)c(F)c(F)c2)nc1 ZINC000054857491 527197517 /nfs/dbraw/zinc/19/75/17/527197517.db2.gz TWGZOETXSSPFPE-UHFFFAOYSA-N 1 0 253.227 2.062 10 0 CEAERO [NH3+]CCc1cnc(C2(c3ccccc3)CCC2)nc1 ZINC000062782336 527197892 /nfs/dbraw/zinc/19/78/92/527197892.db2.gz HIJNRHLXPMTHNW-UHFFFAOYSA-N 1 0 253.349 2.448 10 0 CEAERO [NH3+]CCc1nc(C2(c3ccccc3)CCCC2)no1 ZINC000062782401 527198486 /nfs/dbraw/zinc/19/84/86/527198486.db2.gz JNMWNXPNQGIOBR-UHFFFAOYSA-N 1 0 257.337 2.431 10 0 CEAERO Cn1cc(C[NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)nn1 ZINC000054860056 527220600 /nfs/dbraw/zinc/22/06/00/527220600.db2.gz JPXVSNIZHRLPJR-VHSXEESVSA-N 1 0 262.279 2.026 10 0 CEAERO [NH3+]C[C@H](C(=O)N1CCC[C@@H]1c1ccc[nH]1)c1ccccc1 ZINC000061612153 527222080 /nfs/dbraw/zinc/22/20/80/527222080.db2.gz ZQZYEEQHCLVXFE-GOEBONIOSA-N 1 0 283.375 2.421 10 0 CEAERO [NH3+]C[C@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC000061611026 527223911 /nfs/dbraw/zinc/22/39/11/527223911.db2.gz SRHXDAFNRDCQHG-ZDUSSCGKSA-N 1 0 284.315 2.096 10 0 CEAERO [NH3+]Cc1cc(F)c(-n2nnc(-c3ccccc3)n2)c(F)c1 ZINC000062719448 527248579 /nfs/dbraw/zinc/24/85/79/527248579.db2.gz DPKXPPZKPLJENA-UHFFFAOYSA-N 1 0 287.273 2.066 10 0 CEAERO [NH3+]Cc1ccccc1OCC(=O)N1Cc2ccccc2C1 ZINC000050910367 527261123 /nfs/dbraw/zinc/26/11/23/527261123.db2.gz SAHYDGYAYSYDPH-UHFFFAOYSA-N 1 0 282.343 2.067 10 0 CEAERO [NH3+]Cc1cnn(Cc2ccc(OC(F)(F)F)cc2)c1 ZINC000054716762 527263571 /nfs/dbraw/zinc/26/35/71/527263571.db2.gz WFGYJHTYUTZAPB-UHFFFAOYSA-N 1 0 271.242 2.289 10 0 CEAERO [NH3+]Cc1oc2ccccc2c1COC[C@H]1CCOC1 ZINC000052704355 527268828 /nfs/dbraw/zinc/26/88/28/527268828.db2.gz UBXWYVIVIHNASQ-NSHDSACASA-N 1 0 261.321 2.445 10 0 CEAERO NNc1cc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)cc[nH+]1 ZINC000051090793 527271699 /nfs/dbraw/zinc/27/16/99/527271699.db2.gz QTJYGUTYZFUQDZ-AAEUAGOBSA-N 1 0 274.368 2.020 10 0 CEAERO NNc1ccc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)c[nH+]1 ZINC000051090771 527276039 /nfs/dbraw/zinc/27/60/39/527276039.db2.gz ZSKOYEWKRNNKMP-YPMHNXCESA-N 1 0 274.368 2.020 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1CC(=O)N(CCO)C1CCCCC1 ZINC000055133306 527343837 /nfs/dbraw/zinc/34/38/37/527343837.db2.gz XBCTYWOOLAWNOW-DZGCQCFKSA-N 1 0 282.428 2.048 10 0 CEAERO [NH3+][C@H](c1ccc(Cl)cc1Cl)[C@H]1COCCO1 ZINC000055301070 527390719 /nfs/dbraw/zinc/39/07/19/527390719.db2.gz QQGXCVSSJOZHCS-GHMZBOCLSA-N 1 0 262.136 2.409 10 0 CEAERO [NH3+][C@H](c1ccc(Cl)cc1Cl)[C@@H]1COCCO1 ZINC000055301065 527391317 /nfs/dbraw/zinc/39/13/17/527391317.db2.gz QQGXCVSSJOZHCS-WDEREUQCSA-N 1 0 262.136 2.409 10 0 CEAERO [NH3+][C@H](c1cnccn1)C1(c2ccccc2)CCOCC1 ZINC000069499929 527392236 /nfs/dbraw/zinc/39/22/36/527392236.db2.gz HJJGZOZTGVKTRI-OAHLLOKOSA-N 1 0 269.348 2.225 10 0 CEAERO O=C(Nc1ccccc1)N1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000051359074 527392847 /nfs/dbraw/zinc/39/28/47/527392847.db2.gz IQTIVADQCSJQHC-ZIAGYGMSSA-N 1 0 259.353 2.435 10 0 CEAERO [NH3+][C@H]1CCCCC[C@@H]1N(CCO)Cc1ccccc1 ZINC000050515512 527393860 /nfs/dbraw/zinc/39/38/60/527393860.db2.gz MKIWOTPOVHKDLV-HOTGVXAUSA-N 1 0 262.397 2.141 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)Cc1cccc(Cl)c1 ZINC000052945302 527395864 /nfs/dbraw/zinc/39/58/64/527395864.db2.gz QNQWYKUTDIZSJN-STQMWFEESA-N 1 0 266.772 2.269 10 0 CEAERO Cc1ncn(C[C@H]2CC[C@@H](C[NH2+]C(C)C)O2)c1C ZINC000052593714 527463462 /nfs/dbraw/zinc/46/34/62/527463462.db2.gz ABWAYMIONNMXBR-UONOGXRCSA-N 1 0 251.374 2.046 10 0 CEAERO O=C(Nc1nc(-c2cccs2)cs1)[C@H]1CC[NH2+]C1 ZINC000150693188 527504290 /nfs/dbraw/zinc/50/42/90/527504290.db2.gz VGESEVLWVNWHGC-QMMMGPOBSA-N 1 0 279.390 2.420 10 0 CEAERO Cc1nn(C(C)C)c(C)c1NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000062894376 527590453 /nfs/dbraw/zinc/59/04/53/527590453.db2.gz ALBTZNQFIBCKAU-CQSZACIVSA-N 1 0 264.373 2.019 10 0 CEAERO Cc1nn(C)c(C)c1-c1csc(C[C@H]2CCC[NH2+]2)n1 ZINC000053252892 527601623 /nfs/dbraw/zinc/60/16/23/527601623.db2.gz IQHJSPZLMCEBRO-LLVKDONJSA-N 1 0 276.409 2.455 10 0 CEAERO FC(F)(F)COCC[C@@]1(C[NH2+]C2CC2)CCOC1 ZINC000054665373 527670610 /nfs/dbraw/zinc/67/06/10/527670610.db2.gz XOMDDYNUCGEUOZ-LLVKDONJSA-N 1 0 267.291 2.114 10 0 CEAERO Cc1nn(C)c(N2C[C@@H](C)OC[C@@H]2C)c1C[NH2+]CC(C)C ZINC000062735848 527677100 /nfs/dbraw/zinc/67/71/00/527677100.db2.gz YBOUWBDNQLFQNZ-QWHCGFSZSA-N 1 0 294.443 2.088 10 0 CEAERO CCN1CC[C@@H]([NH2+][C@H](C)c2ccc(Cl)cn2)C1 ZINC000414334107 527809093 /nfs/dbraw/zinc/80/90/93/527809093.db2.gz FZTWPCOTOZXQSN-ZYHUDNBSSA-N 1 0 253.777 2.480 10 0 CEAERO CCN1CC[C@H]([NH2+][C@@H](C)c2ccc(Cl)cn2)C1 ZINC000414334103 527884526 /nfs/dbraw/zinc/88/45/26/527884526.db2.gz FZTWPCOTOZXQSN-JQWIXIFHSA-N 1 0 253.777 2.480 10 0 CEAERO CCNc1nc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cs1 ZINC000158290102 528440405 /nfs/dbraw/zinc/44/04/05/528440405.db2.gz FSJHGNSZIGOOIL-NSHDSACASA-N 1 0 298.456 2.281 10 0 CEAERO CC1CCN(C(=O)N2C[C@H]([NH3+])Cc3ccccc32)CC1 ZINC000091991322 535271155 /nfs/dbraw/zinc/27/11/55/535271155.db2.gz XATSMVLGDNRUNR-CQSZACIVSA-N 1 0 273.380 2.228 10 0 CEAERO COc1cc(C[N@H+](C)C[C@H](O)COC(C)(C)C)ccc1O ZINC000086168157 536748021 /nfs/dbraw/zinc/74/80/21/536748021.db2.gz AKWHBQDWJYWLFO-ZDUSSCGKSA-N 1 0 297.395 2.009 10 0 CEAERO CCC1(CNC(=O)[C@H]2CCC[C@H]2C[NH3+])CCCC1 ZINC000227431131 538836945 /nfs/dbraw/zinc/83/69/45/538836945.db2.gz NPEHZUVNOCAXLV-STQMWFEESA-N 1 0 252.402 2.448 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H]2C[C@H](C)CC[C@H]2C)C1 ZINC000253150500 574508945 /nfs/dbraw/zinc/50/89/45/574508945.db2.gz FNWLBRZKMAOUOC-KBUPBQIOSA-N 1 0 254.418 2.121 10 0 CEAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(O)cc1 ZINC000757185014 574511621 /nfs/dbraw/zinc/51/16/21/574511621.db2.gz PCEWDMBOGUTQRI-OLZOCXBDSA-N 1 0 263.337 2.037 10 0 CEAERO C[C@@]1([NH3+])CC=C(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000757566020 574514068 /nfs/dbraw/zinc/51/40/68/574514068.db2.gz JWPORXYWELUMQK-CQSZACIVSA-N 1 0 280.393 2.343 10 0 CEAERO C[C@H](N1CCC[C@]12C[NH+]1CCC2CC1)C(F)(F)F ZINC000757129546 574826232 /nfs/dbraw/zinc/82/62/32/574826232.db2.gz LVRYKXMKZVVWEK-CMPLNLGQSA-N 1 0 262.319 2.497 10 0 CEAERO Cc1cc(Cl)ccc1C[NH2+][C@H]1CCCN(CCO)C1 ZINC000384694274 574842024 /nfs/dbraw/zinc/84/20/24/574842024.db2.gz IZRBARXHANVEKB-HNNXBMFYSA-N 1 0 282.815 2.195 10 0 CEAERO C[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)cc2)C[C@@H]1[NH3+] ZINC000235339809 625325943 /nfs/dbraw/zinc/32/59/43/625325943.db2.gz OYUFSOHBLXAQKF-RISCZKNCSA-N 1 0 260.381 2.403 10 0 CEAERO Cc1ccc2oc(C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)cc2c1 ZINC000235374077 625345590 /nfs/dbraw/zinc/34/55/90/625345590.db2.gz VCOBZSSLSMFQHN-ZYHUDNBSSA-N 1 0 258.321 2.160 10 0 CEAERO COCCO[C@H]1CCC[N@H+](C[C@](C)(O)c2ccccc2)C1 ZINC000179287462 625368545 /nfs/dbraw/zinc/36/85/45/625368545.db2.gz RMXNMJSZKIWZRL-IRXDYDNUSA-N 1 0 293.407 2.022 10 0 CEAERO CCCN(CCC)S(=O)(=O)C[C@H]([NH3+])C(CC)CC ZINC000757152367 622929298 /nfs/dbraw/zinc/92/92/98/622929298.db2.gz KOJKXRZQTOSYHE-ZDUSSCGKSA-N 1 0 278.462 2.202 10 0 CEAERO Cc1cc(N2CC[C@@H]([NH3+])[C@H]2C)ncc1Br ZINC000261537176 623355953 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IRDYOVNYPXPMQH-LBPRGKRZSA-N 1 0 280.803 2.421 10 0 CEAERO CO[C@H](c1noc([C@@H]2CCC[C@H]([NH3+])C2)n1)C1CC1 ZINC000253170031 629169889 /nfs/dbraw/zinc/16/98/89/629169889.db2.gz FLBBCSGRRCSLLU-VWYCJHECSA-N 1 0 251.330 2.152 10 0 CEAERO CC(=O)[C@H]1CCCN(CC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000319864715 629408447 /nfs/dbraw/zinc/40/84/47/629408447.db2.gz APKFPULRSDNBJQ-LZWOXQAQSA-N 1 0 266.429 2.265 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1cnc(N)s1 ZINC000262095526 629834754 /nfs/dbraw/zinc/83/47/54/629834754.db2.gz VDTJIGUZUYCZPJ-LBPRGKRZSA-N 1 0 291.424 2.413 10 0 CEAERO COc1cncc(-c2cc(F)cc3c2O[C@H](C[NH3+])C3)c1 ZINC000067755294 631691727 /nfs/dbraw/zinc/69/17/27/631691727.db2.gz YQQGSRJIGIRKIQ-LBPRGKRZSA-N 1 0 274.295 2.159 10 0 CEAERO CCN(CC)c1ccc([C@H]2C[NH2+]C[C@@H]2C(=O)OC)cc1 ZINC000757183115 631830096 /nfs/dbraw/zinc/83/00/96/631830096.db2.gz DSWRWYOSGLWDRO-CABCVRRESA-N 1 0 276.380 2.009 10 0 CEAERO C[C@H](NC(=O)C1([NH3+])CC1)c1cccc(Br)c1 ZINC000083834526 632224917 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C[C@H](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)[C@@H]1CCC[NH2+]C1 ZINC000227582005 639597436 /nfs/dbraw/zinc/59/74/36/639597436.db2.gz IYHKAOMPMDPYRS-KLHDSHLOSA-N 1 0 294.439 2.182 10 0 CEAERO CC[NH2+]CC1CCN(c2nc(C3CC3)ns2)CC1 ZINC000087643651 639698637 /nfs/dbraw/zinc/69/86/37/639698637.db2.gz GIVATXAZPPQLOB-UHFFFAOYSA-N 1 0 266.414 2.241 10 0 CEAERO COc1ccccc1[C@@H](O)C[NH2+]Cc1cn2ccccc2n1 ZINC000171379599 639715896 /nfs/dbraw/zinc/71/58/96/639715896.db2.gz JFMSHYDGTKZGDL-HNNXBMFYSA-N 1 0 297.358 2.166 10 0 CEAERO COCCC[N@H+](C)C[C@H](O)c1cc2ccccc2o1 ZINC000062034414 639734394 /nfs/dbraw/zinc/73/43/94/639734394.db2.gz ZZTAPSCCEPRSSF-ZDUSSCGKSA-N 1 0 263.337 2.435 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+]C[C@H]2CCCOC2)C1 ZINC000230167564 639742955 /nfs/dbraw/zinc/74/29/55/639742955.db2.gz VOQCKFAHJBCFSC-UONOGXRCSA-N 1 0 298.427 2.260 10 0 CEAERO Fc1cc2ncn(CN3CC[N@@H+]4CCC[C@@H]4C3)c2cc1F ZINC000172502349 639769905 /nfs/dbraw/zinc/76/99/05/639769905.db2.gz DFOCMCORMKPJLP-LLVKDONJSA-N 1 0 292.333 2.052 10 0 CEAERO Cn1nccc1CC[NH2+]Cc1ccnc2ccccc12 ZINC000231032995 639822212 /nfs/dbraw/zinc/82/22/12/639822212.db2.gz OGXONAMUPUNDPQ-UHFFFAOYSA-N 1 0 266.348 2.301 10 0 CEAERO Cc1ncsc1-c1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000063084501 639823876 /nfs/dbraw/zinc/82/38/76/639823876.db2.gz YPBLQAQBWBAVKS-SECBINFHSA-N 1 0 264.354 2.044 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)/C=C/c1ccccc1 ZINC000063168212 639836658 /nfs/dbraw/zinc/83/66/58/639836658.db2.gz ULVUYLUDAAIUSH-HBIYDYFMSA-N 1 0 294.420 2.061 10 0 CEAERO CO[C@@H](C)CC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000173925924 639883223 /nfs/dbraw/zinc/88/32/23/639883223.db2.gz ZHRWVTKPMSQZHN-QWHCGFSZSA-N 1 0 287.363 2.475 10 0 CEAERO CO[C@H](C)CC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000173925934 639883491 /nfs/dbraw/zinc/88/34/91/639883491.db2.gz ZHRWVTKPMSQZHN-CHWSQXEVSA-N 1 0 287.363 2.475 10 0 CEAERO Cc1nn(C)c(C[NH2+][C@H](C)[C@H]2CCCO2)c1Cl ZINC000089231857 640195361 /nfs/dbraw/zinc/19/53/61/640195361.db2.gz BGFGNQCDTHBIFQ-LDYMZIIASA-N 1 0 257.765 2.039 10 0 CEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1cc(F)ccc1C ZINC000233706349 641333818 /nfs/dbraw/zinc/33/38/18/641333818.db2.gz MPWVNINAYXAKEN-QWHCGFSZSA-N 1 0 251.301 2.000 10 0 CEAERO [NH3+]CC[C@H]1CCCN(c2ccc(Br)cn2)C1 ZINC000070073915 641627902 /nfs/dbraw/zinc/62/79/02/641627902.db2.gz NSXPMUDKLDNCHX-SNVBAGLBSA-N 1 0 284.201 2.409 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000182349321 641649468 /nfs/dbraw/zinc/64/94/68/641649468.db2.gz AMUOATQSRJQXFF-MEDUHNTESA-N 1 0 290.407 2.261 10 0 CEAERO [NH3+][C@H]1CCC[C@@H](C(=O)N(Cc2ccccn2)C2CC2)C1 ZINC000070576065 641684948 /nfs/dbraw/zinc/68/49/48/641684948.db2.gz QTZPVRMKHJHJMV-OLZOCXBDSA-N 1 0 273.380 2.090 10 0 CEAERO COC[C@@H](C)C(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000117101606 645669393 /nfs/dbraw/zinc/66/93/93/645669393.db2.gz MPMOJPLIFOEAEM-HIFRSBDPSA-N 1 0 277.364 2.087 10 0 CEAERO Cc1cccc([C@@H](C)[NH2+]C[C@H]2CCCS2(=O)=O)c1 ZINC000126983469 651041454 /nfs/dbraw/zinc/04/14/54/651041454.db2.gz HDQPIEPIRRDDQH-TZMCWYRMSA-N 1 0 267.394 2.223 10 0 CEAERO CC[C@@H]1CN(S(=O)(=O)/C=C/c2ccccc2)CC[C@@H]1[NH3+] ZINC000122636237 648494884 /nfs/dbraw/zinc/49/48/84/648494884.db2.gz DOFXPKZMNWRVFU-OVNLOREASA-N 1 0 294.420 2.046 10 0 CEAERO CC(C)[C@@H](O)C[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000124801915 649746050 /nfs/dbraw/zinc/74/60/50/649746050.db2.gz UJZRYPQMQPIYRO-STQMWFEESA-N 1 0 291.313 2.345 10 0 CEAERO CC[C@@H](C)c1ccc(S(=O)(=O)NC[C@H]2CC[NH2+]C2)cc1 ZINC000131871180 652474822 /nfs/dbraw/zinc/47/48/22/652474822.db2.gz CGESBRQNDLABNT-OLZOCXBDSA-N 1 0 296.436 2.088 10 0 CEAERO CCOc1ccccc1-c1noc([C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000132824422 652558674 /nfs/dbraw/zinc/55/86/74/652558674.db2.gz OUVVGYRZHAQQLG-ZYHUDNBSSA-N 1 0 273.336 2.458 10 0 CEAERO C[C@H](C[C@@H]1COCCN1)[NH2+][C@@H](C)c1cccs1 ZINC000133468406 652630883 /nfs/dbraw/zinc/63/08/83/652630883.db2.gz DQMCXQPUTZIVAD-GRYCIOLGSA-N 1 0 254.399 2.166 10 0 CEAERO O=C(NC[C@H]1CC[NH2+]C1)Nc1ccccc1Cl ZINC000133710045 652706891 /nfs/dbraw/zinc/70/68/91/652706891.db2.gz ZUVGUZPFMISZHW-VIFPVBQESA-N 1 0 253.733 2.071 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@H](C[NH3+])C[C@H]1C1CC1 ZINC000215665912 652901408 /nfs/dbraw/zinc/90/14/08/652901408.db2.gz BTRIMTVHRBPUKJ-JQWIXIFHSA-N 1 0 254.374 2.371 10 0 CEAERO CC(C)C[NH+]1CCN(c2nc(Cl)nc3cc[nH]c32)CC1 ZINC000693043248 719328362 /nfs/dbraw/zinc/32/83/62/719328362.db2.gz KOPLSFYAPZGJJO-UHFFFAOYSA-N 1 0 293.802 2.389 10 0 CEAERO CCOC1CC([NH2+][C@H](CN(C)C)c2ccccc2)C1 ZINC000124450833 187137588 /nfs/dbraw/zinc/13/75/88/187137588.db2.gz ALIFFYDGCZFZFL-UYSNPLJNSA-N 1 0 262.397 2.446 10 0 CEAERO CC(C)c1nc(N2CCOCC2)sc1C[NH2+]C1CC1 ZINC000082434931 178012408 /nfs/dbraw/zinc/01/24/08/178012408.db2.gz RODIGHQNPFMVIV-UHFFFAOYSA-N 1 0 281.425 2.355 10 0 CEAERO CC[NH2+][C@@]1(CN)CCc2cc(Br)ccc2C1 ZINC000082491562 178058974 /nfs/dbraw/zinc/05/89/74/178058974.db2.gz PFFNCICAKKLPEB-ZDUSSCGKSA-N 1 0 283.213 2.245 10 0 CEAERO CN(Cc1ccc(Br)o1)[C@@H]1CCC[NH2+]C1 ZINC000082499168 178064399 /nfs/dbraw/zinc/06/43/99/178064399.db2.gz JYTRDGWXMISWKI-SECBINFHSA-N 1 0 273.174 2.226 10 0 CEAERO O[C@H]1C[NH2+]C[C@@H]1Oc1cc(Cl)c(Cl)cc1Cl ZINC000082524919 178088600 /nfs/dbraw/zinc/08/86/00/178088600.db2.gz YCSVREFSMHOVDZ-WPRPVWTQSA-N 1 0 282.554 2.358 10 0 CEAERO [NH3+]CCc1cc(Cl)cc(I)c1 ZINC000095764774 185027459 /nfs/dbraw/zinc/02/74/59/185027459.db2.gz YUVKKGFJVJEVDI-UHFFFAOYSA-N 1 0 281.524 2.446 10 0 CEAERO COC(=O)C[C@@H]([NH3+])c1ccc(C)c(Br)c1 ZINC000095778156 185027940 /nfs/dbraw/zinc/02/79/40/185027940.db2.gz OGLVFDAJTRJFSV-SNVBAGLBSA-N 1 0 272.142 2.320 10 0 CEAERO [NH3+]Cc1cc(-c2ccc(Br)s2)n[nH]1 ZINC000082567757 178098513 /nfs/dbraw/zinc/09/85/13/178098513.db2.gz XQHQGMGUBIBOBQ-UHFFFAOYSA-N 1 0 258.144 2.359 10 0 CEAERO COc1ccc([C@H]2C[NH2+]CO2)cc1Br ZINC000082567752 178098756 /nfs/dbraw/zinc/09/87/56/178098756.db2.gz FWHQPJDMILZENZ-SNVBAGLBSA-N 1 0 258.115 2.076 10 0 CEAERO CCC[NH2+]C[C@H](C)Sc1nnc(N(C)C)s1 ZINC000082580239 178119038 /nfs/dbraw/zinc/11/90/38/178119038.db2.gz BFWOFJPCYNRKOD-QMMMGPOBSA-N 1 0 260.432 2.084 10 0 CEAERO C[N@@H+]1CCCN(C(=O)N[C@@H]2CCC23CCCC3)CC1 ZINC000336274697 365542803 /nfs/dbraw/zinc/54/28/03/365542803.db2.gz JRIGGIJSHZYYAV-CYBMUJFWSA-N 1 0 265.401 2.056 10 0 CEAERO Cc1cc(Sc2nncs2)ccc1CC[NH3+] ZINC000082617383 178127034 /nfs/dbraw/zinc/12/70/34/178127034.db2.gz UGVROAIZBVTESK-UHFFFAOYSA-N 1 0 251.380 2.499 10 0 CEAERO COCC[NH2+]Cc1cnn(-c2ccccc2C)c1C ZINC000082660332 178146814 /nfs/dbraw/zinc/14/68/14/178146814.db2.gz LHXGRXZTTIDOKT-UHFFFAOYSA-N 1 0 259.353 2.225 10 0 CEAERO C[NH2+]C[C@H](O)COc1ccc(Br)cc1Cl ZINC000034938923 361797203 /nfs/dbraw/zinc/79/72/03/361797203.db2.gz KOLIBXBFZUTYQO-QMMMGPOBSA-N 1 0 294.576 2.062 10 0 CEAERO COc1cc(Cl)c(C(=O)[C@H]2CCC[NH2+]2)cc1OC ZINC000082724455 178240721 /nfs/dbraw/zinc/24/07/21/178240721.db2.gz KRNBRSHFTUAESJ-SNVBAGLBSA-N 1 0 269.728 2.292 10 0 CEAERO C[C@@H]([NH3+])C[C@@H](C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000082798372 178301332 /nfs/dbraw/zinc/30/13/32/178301332.db2.gz VNQRTRGABAUACH-RKDXNWHRSA-N 1 0 261.774 2.240 10 0 CEAERO c1cnnc(N2CCC[C@@H]([NH2+]C[C@H]3CC=CCC3)C2)c1 ZINC000122299672 365626748 /nfs/dbraw/zinc/62/67/48/365626748.db2.gz OIJDUMCMTQUWPJ-LSDHHAIUSA-N 1 0 272.396 2.391 10 0 CEAERO CC(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)c1cccnc1 ZINC000096083007 185092517 /nfs/dbraw/zinc/09/25/17/185092517.db2.gz DHIGLRYEBXZEIO-LSDHHAIUSA-N 1 0 273.380 2.026 10 0 CEAERO CC[NH2+][C@H](CCO)CSc1ccc(Cl)cn1 ZINC000082990734 178333349 /nfs/dbraw/zinc/33/33/49/178333349.db2.gz FUHDMANQQVWYDJ-SNVBAGLBSA-N 1 0 260.790 2.188 10 0 CEAERO C[C@H](C[NH3+])[C@@H](O)c1ccc(F)c(Br)c1 ZINC000083021736 178334285 /nfs/dbraw/zinc/33/42/85/178334285.db2.gz HDQDEBIVOLMXRL-LHLIQPBNSA-N 1 0 262.122 2.216 10 0 CEAERO [NH3+][C@H](CO)CCSc1cccc(Br)c1 ZINC000082902425 178328988 /nfs/dbraw/zinc/32/89/88/178328988.db2.gz JWKHMSAIXNNVSF-VIFPVBQESA-N 1 0 276.199 2.251 10 0 CEAERO C[C@@]([NH3+])(CO)CCCSc1ncccc1Cl ZINC000082905480 178329383 /nfs/dbraw/zinc/32/93/83/178329383.db2.gz ZCYRJXNSNJTTLS-NSHDSACASA-N 1 0 260.790 2.317 10 0 CEAERO [NH3+][C@]1(CCOc2cccc(Br)c2)CCOC1 ZINC000083186969 178351915 /nfs/dbraw/zinc/35/19/15/178351915.db2.gz HQYWMUUDRISJPX-LBPRGKRZSA-N 1 0 286.169 2.336 10 0 CEAERO [NH3+][C@]1(Cc2cc(Br)ccc2F)CCOC1 ZINC000083186987 178351962 /nfs/dbraw/zinc/35/19/62/178351962.db2.gz GQBPOXYOUIBYHZ-NSHDSACASA-N 1 0 274.133 2.249 10 0 CEAERO [NH3+][C@@]1(Cc2ccccc2Br)CCOC1 ZINC000083186616 178352006 /nfs/dbraw/zinc/35/20/06/178352006.db2.gz LCLPITYJISXXNS-LLVKDONJSA-N 1 0 256.143 2.109 10 0 CEAERO CC[C@@H](O)C[N@H+](CCCOC)Cc1ccc(OC)cc1 ZINC000036095225 361827364 /nfs/dbraw/zinc/82/73/64/361827364.db2.gz SJZAGXJZHRBLLS-OAHLLOKOSA-N 1 0 281.396 2.305 10 0 CEAERO Cc1cccc(C)c1CCNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000125347230 187180730 /nfs/dbraw/zinc/18/07/30/187180730.db2.gz SSYFHKFIMYPFOT-HNNXBMFYSA-N 1 0 289.423 2.191 10 0 CEAERO [NH3+]Cc1ccc2nc(-c3ccc4c(c3)OCO4)[nH]c2c1 ZINC000096874664 185119432 /nfs/dbraw/zinc/11/94/32/185119432.db2.gz QXTMKFMDFPKCOK-UHFFFAOYSA-N 1 0 267.288 2.417 10 0 CEAERO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000096897236 185124948 /nfs/dbraw/zinc/12/49/48/185124948.db2.gz YOQRXBODLBGDLM-BXUZGUMPSA-N 1 0 254.374 2.291 10 0 CEAERO CC[C@@H]([NH3+])C(=O)Nc1ccccc1Br ZINC000036871317 361865661 /nfs/dbraw/zinc/86/56/61/361865661.db2.gz KFDKYLNZYDCEJN-MRVPVSSYSA-N 1 0 257.131 2.125 10 0 CEAERO CCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000036959856 361875201 /nfs/dbraw/zinc/87/52/01/361875201.db2.gz SCQJHLWUZMZZBM-NEPJUHHUSA-N 1 0 294.395 2.269 10 0 CEAERO C[C@@H]([NH2+]CC(=O)NC1CC1)c1ccc(F)c(Cl)c1 ZINC000036782282 361858523 /nfs/dbraw/zinc/85/85/23/361858523.db2.gz DHXCWNYHFXNEQB-MRVPVSSYSA-N 1 0 270.735 2.408 10 0 CEAERO CC[NH2+][C@@](C)(C(N)=O)c1ccccc1C(F)(F)F ZINC000037447658 361904033 /nfs/dbraw/zinc/90/40/33/361904033.db2.gz KQBGDAVKRCPNFN-LLVKDONJSA-N 1 0 260.259 2.015 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[NH2+][C@@H]2CCC[C@@H]2C1 ZINC000096958496 185141322 /nfs/dbraw/zinc/14/13/22/185141322.db2.gz HJOHSKHVVDVSMK-VXGBXAGGSA-N 1 0 254.374 2.386 10 0 CEAERO CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000096958539 185141419 /nfs/dbraw/zinc/14/14/19/185141419.db2.gz LGXLMDDEBCEULE-VXGBXAGGSA-N 1 0 254.374 2.386 10 0 CEAERO Cc1ccc(C[C@@H](C)NC(=O)C[C@@H]2CCC[NH2+]C2)s1 ZINC000080243443 344003888 /nfs/dbraw/zinc/00/38/88/344003888.db2.gz UDNGYLRZTNYTPC-YPMHNXCESA-N 1 0 280.437 2.493 10 0 CEAERO CC[NH+](CC)CCCNc1[nH][nH]c2cccc(=O)c1-2 ZINC000039424064 361989590 /nfs/dbraw/zinc/98/95/90/361989590.db2.gz RHKCOOMRMNYESQ-UHFFFAOYSA-N 1 0 262.357 2.412 10 0 CEAERO COc1cc2cc(C[NH2+]C(C)C)c(=O)n(C)c2cc1OC ZINC000039288593 361987595 /nfs/dbraw/zinc/98/75/95/361987595.db2.gz MMHRCPRQZKUPPI-UHFFFAOYSA-N 1 0 290.363 2.054 10 0 CEAERO CC[C@@H](NC(=O)C1CCC([NH3+])CC1)c1nccs1 ZINC000080269221 539172426 /nfs/dbraw/zinc/17/24/26/539172426.db2.gz IZHHCJSRSJNGKD-VQXHTEKXSA-N 1 0 267.398 2.228 10 0 CEAERO C[C@@H](NC(=O)C1([NH3+])CCOCC1)c1cccc(Cl)c1 ZINC000127837197 187336191 /nfs/dbraw/zinc/33/61/91/187336191.db2.gz ZMQSQHAWMNJJDZ-SNVBAGLBSA-N 1 0 282.771 2.025 10 0 CEAERO CCOc1cc(NCC([NH3+])(CC)CC)nc(C)n1 ZINC000130057169 539174723 /nfs/dbraw/zinc/17/47/23/539174723.db2.gz WGMOLDGWEINGLT-UHFFFAOYSA-N 1 0 252.362 2.113 10 0 CEAERO [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000246567505 539183855 /nfs/dbraw/zinc/18/38/55/539183855.db2.gz USSZHAHCXGDASO-JONQDZQNSA-N 1 0 272.392 2.424 10 0 CEAERO [NH3+][C@H](CNC(=O)NC1CCCCC1)C1CCCC1 ZINC000725254769 539200509 /nfs/dbraw/zinc/20/05/09/539200509.db2.gz BDMOODKKXNQYKH-CYBMUJFWSA-N 1 0 253.390 2.136 10 0 CEAERO CC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C[C@@H]1F ZINC000725261869 539209677 /nfs/dbraw/zinc/20/96/77/539209677.db2.gz LJRKWSIUGKWXRT-WDEREUQCSA-N 1 0 260.353 2.334 10 0 CEAERO CC(C)(C)C(=O)N1CCC[C@H]([C@@]23CC[C@H]2CC[NH2+]3)C1 ZINC000725263607 539212230 /nfs/dbraw/zinc/21/22/30/539212230.db2.gz VAVPIJJGYAUEHT-HEHGZKQESA-N 1 0 264.413 2.413 10 0 CEAERO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCOC23CCCC3)C1 ZINC000725263997 539212659 /nfs/dbraw/zinc/21/26/59/539212659.db2.gz ZQXFCBUPQSZIBC-ZIAGYGMSSA-N 1 0 281.396 2.363 10 0 CEAERO CCCCNC(=O)N1CCC2(CCC[C@@H]2[NH3+])CC1 ZINC000725264286 539212934 /nfs/dbraw/zinc/21/29/34/539212934.db2.gz WLJWDJZNIZSZSB-LBPRGKRZSA-N 1 0 253.390 2.090 10 0 CEAERO CC[NH+]1CCN(c2ccc(N)c(OC(F)F)c2)CC1 ZINC000725265085 539213048 /nfs/dbraw/zinc/21/30/48/539213048.db2.gz DXYOTBDFMVIKNS-UHFFFAOYSA-N 1 0 271.311 2.012 10 0 CEAERO CCCS(=O)(=O)[C@@H]1CC[C@H](C(C)C)C[C@H]1[NH2+]C ZINC000725265963 539213401 /nfs/dbraw/zinc/21/34/01/539213401.db2.gz ADAGLHOACKGWIP-YNEHKIRRSA-N 1 0 261.431 2.224 10 0 CEAERO O=Cc1ccc(-c2cnnn2[C@H]2CCC[NH2+]CC2)s1 ZINC000725266051 539213437 /nfs/dbraw/zinc/21/34/37/539213437.db2.gz IBJAZUABYAXCFZ-JTQLQIEISA-N 1 0 276.365 2.134 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc(F)nc1 ZINC000126320478 187232888 /nfs/dbraw/zinc/23/28/88/187232888.db2.gz PZRLAEPBZSXSBX-LBPRGKRZSA-N 1 0 280.347 2.169 10 0 CEAERO CC[C@H](O)CC[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000132819189 529694705 /nfs/dbraw/zinc/69/47/05/529694705.db2.gz XUALYNBJEFGGTL-GWCFXTLKSA-N 1 0 253.390 2.331 10 0 CEAERO O=C(CC[C@@H]1CCC[NH2+]C1)N[C@@H]1CCOc2ccccc21 ZINC000043588732 362148027 /nfs/dbraw/zinc/14/80/27/362148027.db2.gz SPFMDUWGSIAAGV-DZGCQCFKSA-N 1 0 288.391 2.406 10 0 CEAERO C[NH+](C)CCOC(=O)c1cc2c(cn1)[nH]c1ccccc12 ZINC000027557752 343393114 /nfs/dbraw/zinc/39/31/14/343393114.db2.gz UCFOKDMKJBQZMP-UHFFFAOYSA-N 1 0 283.331 2.435 10 0 CEAERO C[C@@H]([NH2+]CCc1cccs1)C(=O)NCc1ccco1 ZINC000034937906 343421337 /nfs/dbraw/zinc/42/13/37/343421337.db2.gz KZJUDNXQOUDOPL-LLVKDONJSA-N 1 0 278.377 2.178 10 0 CEAERO [NH3+]C1CCC(C(=O)N2CCC[C@H]2c2ccncc2)CC1 ZINC000037626404 343430358 /nfs/dbraw/zinc/43/03/58/343430358.db2.gz DRFKZDYPQXKVDC-NRXISQOPSA-N 1 0 273.380 2.263 10 0 CEAERO CN(CCOc1ccccc1F)C(=O)C1CCC([NH3+])CC1 ZINC000037802478 343430969 /nfs/dbraw/zinc/43/09/69/343430969.db2.gz PDANYOWXXMLGHQ-UHFFFAOYSA-N 1 0 294.370 2.180 10 0 CEAERO [NH3+][C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1 ZINC000038352735 343434354 /nfs/dbraw/zinc/43/43/54/343434354.db2.gz KKWVNSQGONZQJE-YESZJQIVSA-N 1 0 292.423 2.034 10 0 CEAERO COc1ccnc2[nH]c([C@H](C[NH3+])O[C@@H]3CCCCO3)cc21 ZINC000038341349 343434380 /nfs/dbraw/zinc/43/43/80/343434380.db2.gz ZYRVRQJQZZWLSI-UONOGXRCSA-N 1 0 291.351 2.115 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)c2scnc2C(C)(C)C)C1 ZINC000176751035 282264039 /nfs/dbraw/zinc/26/40/39/282264039.db2.gz FMGLCWDWOXQHKH-JTQLQIEISA-N 1 0 281.425 2.217 10 0 CEAERO C[C@H](NC(=O)[C@H]1CC[C@@H]([NH3+])C1)c1cc(F)ccc1F ZINC000227864676 539323458 /nfs/dbraw/zinc/32/34/58/539323458.db2.gz OMLVEIIZFLKYEQ-ATZCPNFKSA-N 1 0 268.307 2.269 10 0 CEAERO C[C@H](CCc1ccco1)[NH2+]C[C@@H](O)COCc1ccco1 ZINC000049566451 343537961 /nfs/dbraw/zinc/53/79/61/343537961.db2.gz VEKGHQRRTKUIFP-ZIAGYGMSSA-N 1 0 293.363 2.361 10 0 CEAERO CCC(CC)[C@H](O)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000224637268 282281897 /nfs/dbraw/zinc/28/18/97/282281897.db2.gz WLPRQCQMIPOQBW-DGAVXFQQSA-N 1 0 255.402 2.187 10 0 CEAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(O)ccc3F)CC[C@H]21 ZINC000295026382 199306936 /nfs/dbraw/zinc/30/69/36/199306936.db2.gz SAKNXDWHEZEYNV-IAQYHMDHSA-N 1 0 292.354 2.088 10 0 CEAERO COc1ccc(C[NH2+]C[C@H]2CCC[C@H]2O)c(F)c1 ZINC000228599213 539350007 /nfs/dbraw/zinc/35/00/07/539350007.db2.gz QRWUJMJRZJVKNQ-BXUZGUMPSA-N 1 0 253.317 2.085 10 0 CEAERO [NH3+]C[C@@H](c1ccc(Cl)cc1)[C@H](O)C(F)(F)F ZINC000083562747 178581499 /nfs/dbraw/zinc/58/14/99/178581499.db2.gz PPCCJQMNXKRQJS-IUCAKERBSA-N 1 0 253.651 2.306 10 0 CEAERO CN1CCO[C@H](C[NH2+]Cc2ccc(C(C)(C)C)s2)C1 ZINC000127070951 187280205 /nfs/dbraw/zinc/28/02/05/187280205.db2.gz HNXIRSMLVLKEBO-GFCCVEGCSA-N 1 0 282.453 2.466 10 0 CEAERO Cc1cnn(CC[NH2+]Cc2c(C)nc3sc(C)cn23)c1 ZINC000105908565 344257330 /nfs/dbraw/zinc/25/73/30/344257330.db2.gz VZPUFEWLCFVPBO-UHFFFAOYSA-N 1 0 289.408 2.307 10 0 CEAERO COC(=O)c1csc(C[N@@H+]2CCC[C@H]2CCCO)c1 ZINC000602461120 347042287 /nfs/dbraw/zinc/04/22/87/347042287.db2.gz BDFVZBIPGMAVPB-LBPRGKRZSA-N 1 0 283.393 2.272 10 0 CEAERO CC(C)C[C@H](C[NH3+])Nc1cncc(OC(C)C)n1 ZINC000083644632 178652860 /nfs/dbraw/zinc/65/28/60/178652860.db2.gz CUVQLQGEWQEJNR-LLVKDONJSA-N 1 0 252.362 2.049 10 0 CEAERO CC(C)(CNC(=O)[C@@]1(C)CCC[NH2+]1)c1cccs1 ZINC000126229455 344322984 /nfs/dbraw/zinc/32/29/84/344322984.db2.gz PISDPYPZKJLZST-CQSZACIVSA-N 1 0 266.410 2.284 10 0 CEAERO COC(=O)c1csc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000602472189 347046680 /nfs/dbraw/zinc/04/66/80/347046680.db2.gz OXUXDXZEYHBUKM-AAEUAGOBSA-N 1 0 294.420 2.203 10 0 CEAERO CCC([NH3+])(CC)CNc1cncc(OC(C)C)n1 ZINC000130094928 344350199 /nfs/dbraw/zinc/35/01/99/344350199.db2.gz UFRPJDXUQQTOKT-UHFFFAOYSA-N 1 0 252.362 2.193 10 0 CEAERO CN(C(=O)C1([NH3+])CCOCC1)[C@@H]1CCCc2ccccc21 ZINC000132159018 344361826 /nfs/dbraw/zinc/36/18/26/344361826.db2.gz HKLLULFRWKFCGW-OAHLLOKOSA-N 1 0 288.391 2.030 10 0 CEAERO CCCN(Cc1ccc(C)cc1)C(=O)C1([NH3+])CCOCC1 ZINC000132159881 344362225 /nfs/dbraw/zinc/36/22/25/344362225.db2.gz VXAFOIFHWDXGOE-UHFFFAOYSA-N 1 0 290.407 2.242 10 0 CEAERO CC(C)Oc1cncc(N(C)CC[C@@H]([NH3+])C(C)C)n1 ZINC000133616577 344369856 /nfs/dbraw/zinc/36/98/56/344369856.db2.gz ALSVNWSQLHITFS-GFCCVEGCSA-N 1 0 266.389 2.073 10 0 CEAERO C[C@@H]([NH3+])[C@@H](O)c1ccc(Cl)c(Br)c1 ZINC000137197780 344387485 /nfs/dbraw/zinc/38/74/85/344387485.db2.gz CYCYAVBXLCJGEI-MLUIRONXSA-N 1 0 264.550 2.483 10 0 CEAERO O=[n+]1c(Cl)c(Cl)n(O)c(Cl)c1Cl ZINC000137798081 344388658 /nfs/dbraw/zinc/38/86/58/344388658.db2.gz NPBHUGPCHBEOSI-UHFFFAOYSA-N 1 0 250.876 2.254 10 0 CEAERO Cc1cc(O)ccc1[C@@H](N)[C@H]([NH3+])c1ccc(O)cc1C ZINC000138969523 344391313 /nfs/dbraw/zinc/39/13/13/344391313.db2.gz SZNJKCOXAQRLQK-HZPDHXFCSA-N 1 0 272.348 2.414 10 0 CEAERO [NH3+][C@@H](c1csc(Br)c1)c1cncnc1 ZINC000161416130 344464312 /nfs/dbraw/zinc/46/43/12/344464312.db2.gz QVRSWPDZDWCIPC-VIFPVBQESA-N 1 0 270.155 2.349 10 0 CEAERO Clc1cnc(O[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000162860569 344468737 /nfs/dbraw/zinc/46/87/37/344468737.db2.gz ADYKKSFMYQCDMX-SSDOTTSWSA-N 1 0 277.549 2.238 10 0 CEAERO [NH3+]C[C@H](c1ccc(Br)s1)N1CCCO1 ZINC000164184023 344472182 /nfs/dbraw/zinc/47/21/82/344472182.db2.gz BZIRYBLKJUOLKX-SSDOTTSWSA-N 1 0 277.187 2.148 10 0 CEAERO C[C@@H]([NH3+])C[C@H](C)Nc1ccc(Br)cn1 ZINC000165735853 344474925 /nfs/dbraw/zinc/47/49/25/344474925.db2.gz WSAJJBCCAJTWIY-SFYZADRCSA-N 1 0 258.163 2.382 10 0 CEAERO CC(C)(C)Cc1ccc(N2CC[C@H](O)C2)c(C[NH3+])c1 ZINC000166076932 344475329 /nfs/dbraw/zinc/47/53/29/344475329.db2.gz SJVUFKJPDRRDLO-AWEZNQCLSA-N 1 0 262.397 2.305 10 0 CEAERO CC(C)(C)CS(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000168693198 344481138 /nfs/dbraw/zinc/48/11/38/344481138.db2.gz SPTUQWDSHAXERW-UHFFFAOYSA-N 1 0 255.383 2.106 10 0 CEAERO CCC[C@](C)(O)C[NH2+]CCOc1ccc(OC)cc1 ZINC000230708063 344573245 /nfs/dbraw/zinc/57/32/45/344573245.db2.gz MNWZGNCVINWNAA-HNNXBMFYSA-N 1 0 267.369 2.215 10 0 CEAERO C[C@@H]1CCC[C@H]1C[NH2+]C[C@@H](O)COCc1ccco1 ZINC000230676289 344573400 /nfs/dbraw/zinc/57/34/00/344573400.db2.gz PZEGHMRDMGYXLH-HZSPNIEDSA-N 1 0 267.369 2.183 10 0 CEAERO C[C@]1(Nc2ncccc2Br)CC[NH2+]C1 ZINC000230748484 344573646 /nfs/dbraw/zinc/57/36/46/344573646.db2.gz KZPIAAANVWCJEZ-JTQLQIEISA-N 1 0 256.147 2.008 10 0 CEAERO Cc1ccc(C2=[N+](O)C(C)(C)C(C)(C)[N+]([O-])=C2)cc1 ZINC000225404566 344545306 /nfs/dbraw/zinc/54/53/06/344545306.db2.gz QIDYIAULEKVIFW-UHFFFAOYSA-N 1 0 262.353 2.229 10 0 CEAERO CN1CC[C@@H]([NH3+])[C@@H]1c1sccc1Br ZINC000228022088 344558164 /nfs/dbraw/zinc/55/81/64/344558164.db2.gz JDGQWIBTRQGDCI-HTQZYQBOSA-N 1 0 261.188 2.215 10 0 CEAERO C[C@@H]1C[C@@H]1[C@@H]([NH3+])Cc1cncc(Br)c1 ZINC000228653448 344563018 /nfs/dbraw/zinc/56/30/18/344563018.db2.gz MBZUPBBKFVSSSR-GGVZMXCHSA-N 1 0 255.159 2.370 10 0 CEAERO [NH3+][C@@H](c1ccoc1Br)C1CCOCC1 ZINC000236308731 344595524 /nfs/dbraw/zinc/59/55/24/344595524.db2.gz SARWYJIFEQVZHN-SECBINFHSA-N 1 0 260.131 2.469 10 0 CEAERO CCC[C@H]1C[C@H]1[NH2+]CC1(O)CCC(C(=O)OCC)CC1 ZINC000233397736 344581680 /nfs/dbraw/zinc/58/16/80/344581680.db2.gz DMIAEYGMMOBRQZ-IOSBVQAASA-N 1 0 283.412 2.249 10 0 CEAERO CC[C@H](O)CN1CC[NH+](C[C@H]2CCCC[C@H]2C)CC1 ZINC000248454793 344622881 /nfs/dbraw/zinc/62/28/81/344622881.db2.gz HPAXNGFARITOPS-OAGGEKHMSA-N 1 0 268.445 2.201 10 0 CEAERO C[C@H]1NC(=O)OC12CC[NH+](Cc1ccccc1)CC2 ZINC000307155294 344720414 /nfs/dbraw/zinc/72/04/14/344720414.db2.gz DWKZWIDXZXJFOK-GFCCVEGCSA-N 1 0 260.337 2.150 10 0 CEAERO C[C@H]1N(C(=O)OC(C)(C)C)CCC[C@@]12[NH2+]CCS2 ZINC000307172540 344720498 /nfs/dbraw/zinc/72/04/98/344720498.db2.gz NBBKJAHXCGYEGH-MFKMUULPSA-N 1 0 272.414 2.439 10 0 CEAERO C[C@@H]1C[NH2+]CC[C@H]1Nc1cnn(Cc2ccccc2)c1 ZINC000307362745 344721992 /nfs/dbraw/zinc/72/19/92/344721992.db2.gz JEVSSFRRNIDMQK-CZUORRHYSA-N 1 0 270.380 2.341 10 0 CEAERO CN1CCC[C@@H]([NH3+])[C@H]1c1occc1Br ZINC000300216533 344698802 /nfs/dbraw/zinc/69/88/02/344698802.db2.gz RKBPYSKBBSCSGV-BDAKNGLRSA-N 1 0 259.147 2.136 10 0 CEAERO CNC(=[NH2+])Nc1cc(I)ccc1C ZINC000300992777 344701989 /nfs/dbraw/zinc/70/19/89/344701989.db2.gz VMUMERZGHYGGJR-UHFFFAOYSA-N 1 0 289.120 2.166 10 0 CEAERO O[C@H](c1csc(Br)c1)[C@@H]1C=CC[NH2+]1 ZINC000306392943 344713260 /nfs/dbraw/zinc/71/32/60/344713260.db2.gz FTFQXJKMYLTQKN-IONNQARKSA-N 1 0 260.156 2.072 10 0 CEAERO CCc1ccc(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)o1 ZINC000328633725 344757442 /nfs/dbraw/zinc/75/74/42/344757442.db2.gz MFJWZNNFQIDXHX-NSHDSACASA-N 1 0 262.353 2.199 10 0 CEAERO Cc1nnc(N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)s1 ZINC000328393290 344754919 /nfs/dbraw/zinc/75/49/19/344754919.db2.gz YKQSKTXOZYQTTH-OLZOCXBDSA-N 1 0 274.393 2.025 10 0 CEAERO [NH3+]C[C@H]1CC[C@H](c2nc(CCCc3ccccc3)no2)O1 ZINC000328611805 344755654 /nfs/dbraw/zinc/75/56/54/344755654.db2.gz MQYDVLZGDAGDJF-ZIAGYGMSSA-N 1 0 287.363 2.424 10 0 CEAERO [NH3+]C[C@@H](Nc1ccccc1Br)[C@H]1CCOC1 ZINC000083764971 178744036 /nfs/dbraw/zinc/74/40/36/178744036.db2.gz ASKXEJCHQPKRGE-JOYOIKCWSA-N 1 0 285.185 2.225 10 0 CEAERO C[C@@H](O)[C@](C)(C[NH3+])Cc1cc(F)ccc1Br ZINC000083777553 178746145 /nfs/dbraw/zinc/74/61/45/178746145.db2.gz HCRTWQDMWGOXNT-PELKAZGASA-N 1 0 290.176 2.477 10 0 CEAERO COC[C@@H](C)[NH2+]Cc1cccc(C(=O)OC)c1Cl ZINC000382016651 344825835 /nfs/dbraw/zinc/82/58/35/344825835.db2.gz AAQUOPVVHIYAMO-SECBINFHSA-N 1 0 271.744 2.251 10 0 CEAERO COc1cc(NCC(C)(C)[NH3+])c([N+](=O)[O-])cc1C ZINC000385009729 344829881 /nfs/dbraw/zinc/82/98/81/344829881.db2.gz WOSBLRKXZGCUGU-UHFFFAOYSA-N 1 0 253.302 2.061 10 0 CEAERO CC[C@@H]1CC[C@H]([NH2+]CCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000083829214 178751527 /nfs/dbraw/zinc/75/15/27/178751527.db2.gz VVYMXGOSMFFCNK-OCCSQVGLSA-N 1 0 296.436 2.045 10 0 CEAERO COc1cccc(NC(=O)COCC2([NH3+])CCCCC2)c1 ZINC000083863312 178755685 /nfs/dbraw/zinc/75/56/85/178755685.db2.gz FPRAIROZGWRMTA-UHFFFAOYSA-N 1 0 292.379 2.312 10 0 CEAERO C[C@@H]1CC[C@@H](Nc2ccc(C#N)cc2[N+](=O)[O-])C[NH2+]1 ZINC000399036384 344857261 /nfs/dbraw/zinc/85/72/61/344857261.db2.gz OLGOJICSWHOUML-MWLCHTKSSA-N 1 0 260.297 2.019 10 0 CEAERO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CC1C[NH2+]C1 ZINC000083948548 178765775 /nfs/dbraw/zinc/76/57/75/178765775.db2.gz UWEJMCPBUJRSLF-SNVBAGLBSA-N 1 0 266.772 2.469 10 0 CEAERO COc1cccc([S@](=O)CCCC[C@@H](C)[NH3+])c1 ZINC000084002917 178769862 /nfs/dbraw/zinc/76/98/62/178769862.db2.gz AJRMQKBSSBDVOV-DIFFPNOSSA-N 1 0 255.383 2.320 10 0 CEAERO COc1ccc([S@](=O)[C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000084002440 178769878 /nfs/dbraw/zinc/76/98/78/178769878.db2.gz POEGJAWJNVWVER-PMUMKWKESA-N 1 0 267.394 2.463 10 0 CEAERO C[NH2+][C@H](C[S@@](=O)CCOC)c1c(C)cc(C)cc1C ZINC000084036188 178775472 /nfs/dbraw/zinc/77/54/72/178775472.db2.gz GHQQBVUFEAUCNH-AUUYWEPGSA-N 1 0 283.437 2.267 10 0 CEAERO COc1ccc(C[NH3+])cc1C[S@@](=O)C1CCCC1 ZINC000084050198 178778607 /nfs/dbraw/zinc/77/86/07/178778607.db2.gz ZAKRKADRNSVZIU-SFHVURJKSA-N 1 0 267.394 2.345 10 0 CEAERO Cc1noc(C(C)C)c1C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261659660 282377205 /nfs/dbraw/zinc/37/72/05/282377205.db2.gz BAFZDBSAPKUNBK-NSHDSACASA-N 1 0 279.384 2.306 10 0 CEAERO O=C(Nc1cccnc1)c1ccc(C[C@@H]2[NH2+]C[C@@H]2F)cc1 ZINC000584592185 344960514 /nfs/dbraw/zinc/96/05/14/344960514.db2.gz MGXDLHAEOUWRRI-GJZGRUSLSA-N 1 0 285.322 2.186 10 0 CEAERO CC(C)(C)[NH2+]C[C@@H](O)COc1ccc(C=O)c(Cl)c1 ZINC000584591662 344960808 /nfs/dbraw/zinc/96/08/08/344960808.db2.gz LOBJCAFJFODFIF-LLVKDONJSA-N 1 0 285.771 2.280 10 0 CEAERO CCC[C@](C[NH3+])(c1cccc(OC)c1)[C@@H](C)CO ZINC000584597056 344961156 /nfs/dbraw/zinc/96/11/56/344961156.db2.gz WCMHOXUXPRULGH-SWLSCSKDSA-N 1 0 251.370 2.320 10 0 CEAERO Cn1cc(C[NH2+]CCO)c2cc(OC(F)(F)F)ccc21 ZINC000584603176 344963032 /nfs/dbraw/zinc/96/30/32/344963032.db2.gz QNDWACGZIHFFLQ-UHFFFAOYSA-N 1 0 288.269 2.159 10 0 CEAERO CN1C(=O)[C@H]([NH3+])[C@@H]2CCCC[C@@H]2[C@H]2CCCC[C@@H]21 ZINC000584640102 344972009 /nfs/dbraw/zinc/97/20/09/344972009.db2.gz PKGATXGVSMIGRV-XGFWRYKXSA-N 1 0 250.386 2.151 10 0 CEAERO O=C(N[n+]1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000584651499 344973441 /nfs/dbraw/zinc/97/34/41/344973441.db2.gz ZHTFTGXIXPHUIN-UHFFFAOYSA-O 1 0 267.230 2.377 10 0 CEAERO CN1C[C@@H]([NH2+]C[C@H]2CCCc3ccccc32)CCC1=O ZINC000084087091 178784864 /nfs/dbraw/zinc/78/48/64/178784864.db2.gz BBIJGABNELMDCM-CABCVRRESA-N 1 0 272.392 2.317 10 0 CEAERO C[C@@H]1CCC[C@H](NC(=O)C[C@@H]2CCC[NH2+]C2)[C@@H]1C ZINC000054290366 362521205 /nfs/dbraw/zinc/52/12/05/362521205.db2.gz WLQCKADWDLRGBU-MQYQWHSLSA-N 1 0 252.402 2.317 10 0 CEAERO C[NH2+][C@H](C)C(=O)N(C)[C@@H](C)c1cccc(Cl)c1 ZINC000054075719 362510448 /nfs/dbraw/zinc/51/04/48/362510448.db2.gz OCLMAMNSFPFYHD-ZJUUUORDSA-N 1 0 254.761 2.467 10 0 CEAERO [NH3+]C1(CC(=O)NCc2cccc3c2OCO3)CCCCC1 ZINC000084183881 178818103 /nfs/dbraw/zinc/81/81/03/178818103.db2.gz HUGYIBBFVVMQIU-UHFFFAOYSA-N 1 0 290.363 2.083 10 0 CEAERO COc1cc(F)ccc1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054291721 362523102 /nfs/dbraw/zinc/52/31/02/362523102.db2.gz QEPUOPURRVZDLE-JTQLQIEISA-N 1 0 266.316 2.163 10 0 CEAERO CCOc1cccc(NC(=O)C[C@H]2CCC[NH2+]C2)c1 ZINC000054291718 362523284 /nfs/dbraw/zinc/52/32/84/362523284.db2.gz KLXJRSAJAGAJTD-GFCCVEGCSA-N 1 0 262.353 2.414 10 0 CEAERO c1ccc(OCc2noc(C[C@H]3CCC[NH2+]C3)n2)cc1 ZINC000054436206 362534534 /nfs/dbraw/zinc/53/45/34/362534534.db2.gz GHSICAHQLMCAQW-GFCCVEGCSA-N 1 0 273.336 2.191 10 0 CEAERO [NH3+]Cc1cc(F)ccc1CS(=O)(=O)c1ccccc1F ZINC000084268646 178836016 /nfs/dbraw/zinc/83/60/16/178836016.db2.gz SRGQXTZXVPFNOM-UHFFFAOYSA-N 1 0 297.326 2.397 10 0 CEAERO CCn1nc(C)c(Br)c1CO[C@@H](C)C[NH2+]C ZINC000084278653 178842095 /nfs/dbraw/zinc/84/20/95/178842095.db2.gz KYBBTQWMWJLQGD-QMMMGPOBSA-N 1 0 290.205 2.098 10 0 CEAERO CCOC(=O)[C@](C)(N)C[C@@H](C)[NH+]1CCCCCCC1 ZINC000084296268 178848611 /nfs/dbraw/zinc/84/86/11/178848611.db2.gz YJVFXQWJRIXSQS-UKRRQHHQSA-N 1 0 270.417 2.312 10 0 CEAERO C[NH2+][C@H](C)C[C@H](C)S(=O)(=O)c1ccc(F)cc1F ZINC000084356831 178867476 /nfs/dbraw/zinc/86/74/76/178867476.db2.gz ISCDCENLVXPEBD-BDAKNGLRSA-N 1 0 277.336 2.125 10 0 CEAERO CCC[NH2+][C@@](C)(C[C@@H](C)[N@H+](C)C[C@@H]1C[C@@H]1C)C(=O)[O-] ZINC000084359849 178869456 /nfs/dbraw/zinc/86/94/56/178869456.db2.gz MUJIPLDJFGZLSW-XFMPKHEZSA-N 1 0 270.417 2.196 10 0 CEAERO C[NH+](C)C[C@H](NC(=O)C1=COCCC1)c1ccccc1 ZINC000107437896 232196037 /nfs/dbraw/zinc/19/60/37/232196037.db2.gz AGQQTWCKKVEJJO-HNNXBMFYSA-N 1 0 274.364 2.100 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc2cc[nH]c2c1 ZINC000229583342 539471972 /nfs/dbraw/zinc/47/19/72/539471972.db2.gz GKBYAWJKNMLCSA-MFKMUULPSA-N 1 0 257.337 2.038 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc2[nH]ccc2c1 ZINC000229583246 539472011 /nfs/dbraw/zinc/47/20/11/539472011.db2.gz AWLBNIYQRRIMCF-GXFFZTMASA-N 1 0 257.337 2.038 10 0 CEAERO C[NH2+][C@H]1CC[C@@H](S(=O)(=O)[C@@H]2CCC[C@@H](C)C2)C1 ZINC000084433876 178887716 /nfs/dbraw/zinc/88/77/16/178887716.db2.gz LUWFVUWSLRJQGS-YVECIDJPSA-N 1 0 259.415 2.120 10 0 CEAERO CC[NH2+][C@H]1CC[C@H](S(=O)(=O)c2ccccc2C)C1 ZINC000084433756 178887754 /nfs/dbraw/zinc/88/77/54/178887754.db2.gz JHDRMUMPJXXFAI-STQMWFEESA-N 1 0 267.394 2.299 10 0 CEAERO C[NH2+][C@H]1CCC[C@@H](Sc2nnc(N(C)C)s2)C1 ZINC000084430990 178886334 /nfs/dbraw/zinc/88/63/34/178886334.db2.gz MDFCKHBYCUCTOX-DTWKUNHWSA-N 1 0 272.443 2.227 10 0 CEAERO CC[NH2+][C@@H]1CC[C@@H](S(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000084433485 178887440 /nfs/dbraw/zinc/88/74/40/178887440.db2.gz SIEOENPOBDQKEC-NXEZZACHSA-N 1 0 289.347 2.269 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)CCC(C)C)C1 ZINC000057869639 362598061 /nfs/dbraw/zinc/59/80/61/362598061.db2.gz TYICCHSXESMYGK-ZDUSSCGKSA-N 1 0 255.406 2.158 10 0 CEAERO CC(C)[NH2+]C[C@](C)(O)Cc1ccn(C2CCCC2)n1 ZINC000097210284 185564645 /nfs/dbraw/zinc/56/46/45/185564645.db2.gz IZTXFDGLBFJXBH-OAHLLOKOSA-N 1 0 265.401 2.290 10 0 CEAERO CCc1nn(CC)c(C[C@](C)(O)C[NH2+]C2CC2)c1Cl ZINC000097210386 185564871 /nfs/dbraw/zinc/56/48/71/185564871.db2.gz BFCIPTISBVLVAK-AWEZNQCLSA-N 1 0 285.819 2.164 10 0 CEAERO C[NH2+][C@H](C[C@@H]1CCS(=O)(=O)C1)c1csc(C)c1 ZINC000097227085 185568227 /nfs/dbraw/zinc/56/82/27/185568227.db2.gz NJUXATOGDKJTSK-CMPLNLGQSA-N 1 0 273.423 2.142 10 0 CEAERO C[C@@H]1CCC[C@](CNc2cn[nH]c(=O)c2Cl)([NH+](C)C)C1 ZINC000060452358 362662132 /nfs/dbraw/zinc/66/21/32/362662132.db2.gz BCKCVXZBZWPYTO-YGRLFVJLSA-N 1 0 298.818 2.346 10 0 CEAERO CCC[NH2+][C@@H](C=C(C)C)C[C@H]1CCS(=O)(=O)C1 ZINC000097283433 185579161 /nfs/dbraw/zinc/57/91/61/185579161.db2.gz HSQXCDQZYUMWIE-OLZOCXBDSA-N 1 0 259.415 2.146 10 0 CEAERO C[NH2+][C@H](Cc1c(Cl)c(C)nn1C)[C@@H]1CCSC1 ZINC000097273891 185575993 /nfs/dbraw/zinc/57/59/93/185575993.db2.gz NLQFEIQWPLFHRH-NXEZZACHSA-N 1 0 273.833 2.266 10 0 CEAERO C[NH2+][C@H](Cc1nn(C)c2ccccc12)[C@H]1CCSC1 ZINC000097279353 185577566 /nfs/dbraw/zinc/57/75/66/185577566.db2.gz NHRFBIBAOUYAJG-WCQYABFASA-N 1 0 275.421 2.457 10 0 CEAERO CCc1cc(C[C@H](C[C@H](C)COC)[NH2+]C)n(CC)n1 ZINC000097280027 185577909 /nfs/dbraw/zinc/57/79/09/185577909.db2.gz YYLXKDOIWXBOCV-JSGCOSHPSA-N 1 0 267.417 2.269 10 0 CEAERO CC[NH2+][C@H](c1cncc(C)c1)c1cc(C)nnc1C ZINC000097348428 185587955 /nfs/dbraw/zinc/58/79/55/185587955.db2.gz PFMVOPSCZMKFQI-OAHLLOKOSA-N 1 0 256.353 2.496 10 0 CEAERO CCC(CC)C[C@@H](C[C@@H]1CCS(=O)(=O)C1)[NH2+]C ZINC000097384464 185595943 /nfs/dbraw/zinc/59/59/43/185595943.db2.gz PCQLHEBZGOIJBK-STQMWFEESA-N 1 0 261.431 2.226 10 0 CEAERO C[C@H]1CC[C@H]([NH2+]Cc2ccc(OCC(N)=O)cc2)C[C@@H]1C ZINC000085039387 178944071 /nfs/dbraw/zinc/94/40/71/178944071.db2.gz SANDYJFTFPWLFH-YDHLFZDLSA-N 1 0 290.407 2.465 10 0 CEAERO CCC[NH2+]C[C@@H](O)Cc1cc(Br)cs1 ZINC000084993182 178941608 /nfs/dbraw/zinc/94/16/08/178941608.db2.gz NWHCRUAAMBKTQE-VIFPVBQESA-N 1 0 278.215 2.414 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@H](C)CCO)c1C ZINC000097439995 185603571 /nfs/dbraw/zinc/60/35/71/185603571.db2.gz ZAFNXDKUTKUHCZ-MNOVXSKESA-N 1 0 253.390 2.189 10 0 CEAERO COC(=O)C[C@@](C)(Cc1ccc(OC)cc1)[C@@H](C)[NH3+] ZINC000097431131 185601642 /nfs/dbraw/zinc/60/16/42/185601642.db2.gz CROUPUMNGROEGI-IAQYHMDHSA-N 1 0 265.353 2.154 10 0 CEAERO CCCOc1ccc([C@](C)(C[NH3+])CC(=O)OC)cc1 ZINC000097430424 185601846 /nfs/dbraw/zinc/60/18/46/185601846.db2.gz SIJSNSIBEKEXPP-HNNXBMFYSA-N 1 0 265.353 2.255 10 0 CEAERO CC[NH2+]C[C@](C)(O)Cc1cc(Br)ccc1F ZINC000085076387 178948039 /nfs/dbraw/zinc/94/80/39/178948039.db2.gz IXXWQLOOXACIDF-GFCCVEGCSA-N 1 0 290.176 2.491 10 0 CEAERO O=C1NCCCC[C@H]1[NH2+][C@H]1CCCC[C@@H]1C(F)(F)F ZINC000085133233 178954580 /nfs/dbraw/zinc/95/45/80/178954580.db2.gz NGSOXZYELMVWKN-GARJFASQSA-N 1 0 278.318 2.366 10 0 CEAERO C[NH2+][C@H](c1c(OC)cnn1C)c1cccc2cccnc21 ZINC000097448670 185607013 /nfs/dbraw/zinc/60/70/13/185607013.db2.gz QAXZRNBSXORQAM-HNNXBMFYSA-N 1 0 282.347 2.286 10 0 CEAERO [NH3+]Cc1ccc(F)cc1COC[C@H]1CCCCO1 ZINC000085148538 178959118 /nfs/dbraw/zinc/95/91/18/178959118.db2.gz LEANXSFXGWSENX-CQSZACIVSA-N 1 0 253.317 2.370 10 0 CEAERO CC[C@H](C)n1ccc(CCCC[NH2+]CCOC)n1 ZINC000085193949 178967131 /nfs/dbraw/zinc/96/71/31/178967131.db2.gz FYARYDJUUKFTRH-ZDUSSCGKSA-N 1 0 253.390 2.413 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+][C@@H]2C[C@H](O)C2(C)C)c1C ZINC000128341914 187364539 /nfs/dbraw/zinc/36/45/39/187364539.db2.gz QJILSPOMNMVZIF-BIMULSAOSA-N 1 0 265.401 2.330 10 0 CEAERO C[NH2+][C@@H]1CCCN(Cc2ccn(C3CCCC3)n2)C1 ZINC000085180903 178964509 /nfs/dbraw/zinc/96/45/09/178964509.db2.gz NIFUNCLKZUWZNJ-CYBMUJFWSA-N 1 0 262.401 2.182 10 0 CEAERO CCC[NH2+][C@H](COC)Cc1ccn([C@H](C)CC)n1 ZINC000085182949 178966279 /nfs/dbraw/zinc/96/62/79/178966279.db2.gz AXZGVPADCUNOAD-OCCSQVGLSA-N 1 0 253.390 2.411 10 0 CEAERO CCC[NH2+][C@@H](CO)CCN(C)c1ccc(F)cc1 ZINC000085214326 178978566 /nfs/dbraw/zinc/97/85/66/178978566.db2.gz OTLZNZLLQHLNMK-CYBMUJFWSA-N 1 0 254.349 2.013 10 0 CEAERO CC(C)[NH2+][C@](CO)(CN(C)[C@@H](C)C(C)(C)C)C1CC1 ZINC000085241824 178982771 /nfs/dbraw/zinc/98/27/71/178982771.db2.gz MJNYBJJEGRZOQC-BBRMVZONSA-N 1 0 270.461 2.492 10 0 CEAERO Cc1nc(C)c([C@H](C)NC[C@H](O)C[NH+]2CCCCC2)s1 ZINC000178519009 232374309 /nfs/dbraw/zinc/37/43/09/232374309.db2.gz WJKPFPGXRBWNEK-FZMZJTMJSA-N 1 0 297.468 2.257 10 0 CEAERO CC[NH2+][C@H](C)[C@@H]1CCCN(c2ncccc2F)C1 ZINC000094618565 136513978 /nfs/dbraw/zinc/51/39/78/136513978.db2.gz ULQGUNCMOBTPAY-VXGBXAGGSA-N 1 0 251.349 2.435 10 0 CEAERO CSCCCCNC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177533360 232359093 /nfs/dbraw/zinc/35/90/93/232359093.db2.gz CYLZVQLJHVLGCK-CYBMUJFWSA-N 1 0 296.440 2.200 10 0 CEAERO CCn1c(C)nnc1CN(C)[C@H](C)Cc1ccc(O)cc1 ZINC000177999289 232367560 /nfs/dbraw/zinc/36/75/60/232367560.db2.gz WBQCVCQFMAPARE-GFCCVEGCSA-N 1 0 288.395 2.375 10 0 CEAERO CCn1ccnc1[C@@H](NN)C(CC)(CC)[NH+](CC)CC ZINC000097586761 185632557 /nfs/dbraw/zinc/63/25/57/185632557.db2.gz NWRAOCRAOGPKAO-CYBMUJFWSA-N 1 0 281.448 2.308 10 0 CEAERO C[NH+](C)C1([C@@H](C[C@@H]2Cc3ccccc32)NN)CCCC1 ZINC000097587733 185633787 /nfs/dbraw/zinc/63/37/87/185633787.db2.gz ULPOSIPLXHUWJH-GOEBONIOSA-N 1 0 273.424 2.423 10 0 CEAERO CCOc1ccccc1OC[C@@](C)(CO)[NH2+]C(C)C ZINC000085283754 179001703 /nfs/dbraw/zinc/00/17/03/179001703.db2.gz YQWNYBFIKCEEOO-OAHLLOKOSA-N 1 0 267.369 2.213 10 0 CEAERO Cc1ccc(C)c(OCC[C@@H](CO)[NH2+]C(C)C)c1 ZINC000085284592 179002095 /nfs/dbraw/zinc/00/20/95/179002095.db2.gz VLJBNBSTULUZHS-AWEZNQCLSA-N 1 0 251.370 2.431 10 0 CEAERO CCC[NH2+][C@](C)(CO)COc1ccc(CC)cc1 ZINC000085284153 179002291 /nfs/dbraw/zinc/00/22/91/179002291.db2.gz KPYLHHXUPVZURP-OAHLLOKOSA-N 1 0 251.370 2.378 10 0 CEAERO CC[NH+](CC)CC[C@@H](NN)c1cccc2cccnc21 ZINC000097591698 185634487 /nfs/dbraw/zinc/63/44/87/185634487.db2.gz QOLVSCYJUHECQT-OAHLLOKOSA-N 1 0 272.396 2.471 10 0 CEAERO COc1cc(C)ccc1OCCCC[C@](C)([NH3+])CO ZINC000085286042 179003594 /nfs/dbraw/zinc/00/35/94/179003594.db2.gz PXLAJHIYJVEDKK-HNNXBMFYSA-N 1 0 267.369 2.262 10 0 CEAERO CCC[NH2+][C@@H](CO)COc1c(C)ccc(C)c1C ZINC000085286230 179004011 /nfs/dbraw/zinc/00/40/11/179004011.db2.gz OCXILXGJCSNSJM-AWEZNQCLSA-N 1 0 251.370 2.351 10 0 CEAERO Cc1ccc2[nH]c(SCC[C@@](C)([NH3+])CO)nc2c1 ZINC000085288300 179005295 /nfs/dbraw/zinc/00/52/95/179005295.db2.gz XRJQJFFHRVXQPY-CYBMUJFWSA-N 1 0 265.382 2.063 10 0 CEAERO Cc1ccc2[nH]c(S[C@@H](C)C[C@](C)([NH3+])CO)nc2c1 ZINC000085288266 179005525 /nfs/dbraw/zinc/00/55/25/179005525.db2.gz KNHSCQAFSSNMQV-HZMBPMFUSA-N 1 0 279.409 2.452 10 0 CEAERO COCCCS[C@H](C)C[C@@](C)(CO)[NH2+]C(C)C ZINC000085290006 179006030 /nfs/dbraw/zinc/00/60/30/179006030.db2.gz UZWRGQNKVGWHPA-OLZOCXBDSA-N 1 0 263.447 2.284 10 0 CEAERO COc1cccc(SC[C@@H](CO)[NH2+]C(C)C)c1 ZINC000085291082 179006358 /nfs/dbraw/zinc/00/63/58/179006358.db2.gz WUJRDMVGVRBJPH-LLVKDONJSA-N 1 0 255.383 2.146 10 0 CEAERO CCC[NH2+][C@](C)(CO)C[C@@H](C)SC1CCOCC1 ZINC000085290211 179006626 /nfs/dbraw/zinc/00/66/26/179006626.db2.gz YHYDQJUPPHZBNZ-OCCSQVGLSA-N 1 0 275.458 2.428 10 0 CEAERO CCC[NH2+][C@@](C)(CO)C[C@H](C)Sc1nncs1 ZINC000085292517 179007688 /nfs/dbraw/zinc/00/76/88/179007688.db2.gz MBQYUUMKQXUPSV-GXSJLCMTSA-N 1 0 275.443 2.159 10 0 CEAERO C[NH2+][C@](CO)(CSc1cc(F)ccc1F)C1CC1 ZINC000085297002 179008385 /nfs/dbraw/zinc/00/83/85/179008385.db2.gz RRXSBJHOJNEDLI-CYBMUJFWSA-N 1 0 273.348 2.417 10 0 CEAERO C[C@H](C[C@@](C)([NH3+])CO)Sc1ncnc2ccccc21 ZINC000085297230 179008618 /nfs/dbraw/zinc/00/86/18/179008618.db2.gz JJMXHMJRXQMNHV-QMTHXVAHSA-N 1 0 277.393 2.210 10 0 CEAERO C[NH2+][C@@](CO)(CSc1ccc(F)c(F)c1)C1CC1 ZINC000085298120 179009096 /nfs/dbraw/zinc/00/90/96/179009096.db2.gz PRMGBWSFQVDWBR-ZDUSSCGKSA-N 1 0 273.348 2.417 10 0 CEAERO C[NH2+][C@@](C)(CO)CCSc1ccccc1OC ZINC000085297525 179009216 /nfs/dbraw/zinc/00/92/16/179009216.db2.gz QNOWZTBHKYBOBE-CYBMUJFWSA-N 1 0 255.383 2.148 10 0 CEAERO C[NH2+][C@@](C)(CO)C[C@H](C)Oc1ccc(C)c(C)c1 ZINC000085284670 179002914 /nfs/dbraw/zinc/00/29/14/179002914.db2.gz ZUPFAKSNHPYBAD-DZGCQCFKSA-N 1 0 251.370 2.431 10 0 CEAERO CC(C)[NH2+][C@@](CO)(COc1ccc(F)cc1)C1CC1 ZINC000085285178 179002936 /nfs/dbraw/zinc/00/29/36/179002936.db2.gz XSCCICYWQXVAAZ-HNNXBMFYSA-N 1 0 267.344 2.344 10 0 CEAERO C[C@H](C[C@](C)(O)C[NH3+])Sc1nc2ccccc2[nH]1 ZINC000085308477 179013320 /nfs/dbraw/zinc/01/33/20/179013320.db2.gz MMXZZXYYPRJCQA-RNCFNFMXSA-N 1 0 265.382 2.143 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1c1nc2ccccc2n1CCO ZINC000085321810 179015692 /nfs/dbraw/zinc/01/56/92/179015692.db2.gz PGXBMDPRCHWSGK-RYUDHWBXSA-N 1 0 259.353 2.014 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1c1nc(CCOc2ccccc2)no1 ZINC000085325174 179018041 /nfs/dbraw/zinc/01/80/41/179018041.db2.gz IQSHBKDXMJKHFI-OLZOCXBDSA-N 1 0 273.336 2.286 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)N[C@@H]1CCCc2ccccc21 ZINC000085359153 179031838 /nfs/dbraw/zinc/03/18/38/179031838.db2.gz XQKQNSRGDJUXMY-SOUVJXGZSA-N 1 0 258.365 2.308 10 0 CEAERO COc1ccc(C)cc1[C@@H](C)NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085361055 179033187 /nfs/dbraw/zinc/03/31/87/179033187.db2.gz PNAYWTVKYBIBSF-BZPMIXESSA-N 1 0 276.380 2.308 10 0 CEAERO CC(=O)Nc1nc(CSCC(C)(C)[NH3+])cs1 ZINC000085350830 179029447 /nfs/dbraw/zinc/02/94/47/179029447.db2.gz JOGPZFREOIFPIV-UHFFFAOYSA-N 1 0 259.400 2.072 10 0 CEAERO CN(CCOc1ccc(Cl)cc1)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085366724 179037013 /nfs/dbraw/zinc/03/70/13/179037013.db2.gz LELCHXDISIDIJV-KBPBESRZSA-N 1 0 296.798 2.305 10 0 CEAERO COCCN(Cc1cccs1)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085367561 179037405 /nfs/dbraw/zinc/03/74/05/179037405.db2.gz FFBUCMRMSAPKCV-ZIAGYGMSSA-N 1 0 296.436 2.241 10 0 CEAERO CN(Cc1nc2ccccc2s1)C(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085367227 179037806 /nfs/dbraw/zinc/03/78/06/179037806.db2.gz HOTMIMGUZYQJJV-WDEREUQCSA-N 1 0 289.404 2.382 10 0 CEAERO CN(C(=O)[C@@H]1CCC[C@H]1[NH3+])C1C2CC3CC(C2)CC1C3 ZINC000085368272 179038045 /nfs/dbraw/zinc/03/80/45/179038045.db2.gz LGGHHVRKBKDZFY-HXFJTEJXSA-N 1 0 276.424 2.397 10 0 CEAERO CCC(=O)Nc1cccc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000085370841 179040488 /nfs/dbraw/zinc/04/04/88/179040488.db2.gz XGBLOHBPAJRTJM-STQMWFEESA-N 1 0 275.352 2.101 10 0 CEAERO CCC(=O)Nc1cccc(NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000085370836 179040542 /nfs/dbraw/zinc/04/05/42/179040542.db2.gz MVKBKISEBDZZHQ-KGLIPLIRSA-N 1 0 289.379 2.491 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1ccc(-c2nnco2)cc1 ZINC000085370989 179041149 /nfs/dbraw/zinc/04/11/49/179041149.db2.gz SLZAEJFRMOMPCF-STQMWFEESA-N 1 0 286.335 2.193 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCCc2occc21 ZINC000085371194 179041239 /nfs/dbraw/zinc/04/12/39/179041239.db2.gz UIBIPRFABFCJOV-WCFLWFBJSA-N 1 0 262.353 2.291 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)NCc1nc2ccccc2s1 ZINC000085370854 179041274 /nfs/dbraw/zinc/04/12/74/179041274.db2.gz PYYBSSIPMLIOFN-GHMZBOCLSA-N 1 0 289.404 2.430 10 0 CEAERO COc1ccccc1N(C)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085373419 179042873 /nfs/dbraw/zinc/04/28/73/179042873.db2.gz RIVGEXFVOHUWEG-VXGBXAGGSA-N 1 0 262.353 2.176 10 0 CEAERO C[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085374704 179043345 /nfs/dbraw/zinc/04/33/45/179043345.db2.gz NJNJPDIIEYDSBJ-BPNCWPANSA-N 1 0 264.344 2.000 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)C3CC3)CC2)C1(C)C ZINC000085384782 179046420 /nfs/dbraw/zinc/04/64/20/179046420.db2.gz DZPHSTPXFZBAHH-LSDHHAIUSA-N 1 0 294.439 2.181 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+]CCC(=O)N[C@@H](C)CC)C1(C)C ZINC000085386422 179047341 /nfs/dbraw/zinc/04/73/41/179047341.db2.gz FFGZSKYKIJXJOH-XQQFMLRXSA-N 1 0 270.417 2.084 10 0 CEAERO CC(=O)Nc1cc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])ccc1C ZINC000085364927 179036246 /nfs/dbraw/zinc/03/62/46/179036246.db2.gz ZIWBMKCLMKQBQR-KBPBESRZSA-N 1 0 289.379 2.409 10 0 CEAERO CN(C)c1ccc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])cc1Cl ZINC000085366134 179036595 /nfs/dbraw/zinc/03/65/95/179036595.db2.gz FQKUZIQGXVZIBJ-JQWIXIFHSA-N 1 0 281.787 2.472 10 0 CEAERO CC[C@H]1COCCN1c1cccc(Cl)c1CC[NH3+] ZINC000111480274 136532377 /nfs/dbraw/zinc/53/23/77/136532377.db2.gz BPBBXZRYSXYNKZ-NSHDSACASA-N 1 0 268.788 2.456 10 0 CEAERO COCCOCCC[NH2+][C@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000085399856 179051606 /nfs/dbraw/zinc/05/16/06/179051606.db2.gz JKHLBZYTWWYTHR-LSDHHAIUSA-N 1 0 287.444 2.469 10 0 CEAERO CC(C)CO[C@H]1C[C@@H]([NH2+][C@@H](C)CN2CCCC2=O)C1(C)C ZINC000085400780 179051649 /nfs/dbraw/zinc/05/16/49/179051649.db2.gz BNVZALQOQREWMX-ZNMIVQPWSA-N 1 0 296.455 2.427 10 0 CEAERO CCC[NH2+][C@@H](Cc1cc(F)ccc1C)[C@H]1COCCO1 ZINC000097859971 185673499 /nfs/dbraw/zinc/67/34/99/185673499.db2.gz RTNAXBYOJNNDOT-JKSUJKDBSA-N 1 0 281.371 2.460 10 0 CEAERO C[C@H](NC(=O)[C@H]1CC[NH2+]C1)c1cccc(Br)c1 ZINC000062113241 362707105 /nfs/dbraw/zinc/70/71/05/362707105.db2.gz FFVVLUKELUDSIV-ONGXEEELSA-N 1 0 297.196 2.236 10 0 CEAERO C[C@H]([NH3+])c1ccccc1Nc1ccnc(N(C)C)n1 ZINC000085432771 179060332 /nfs/dbraw/zinc/06/03/32/179060332.db2.gz ZKJUTLGNFAJJJT-JTQLQIEISA-N 1 0 257.341 2.306 10 0 CEAERO CC(C)C[C@H]1CN(CCCOCC(F)(F)F)CC[NH2+]1 ZINC000085435080 179060910 /nfs/dbraw/zinc/06/09/10/179060910.db2.gz XNENEOVGYKANQL-LBPRGKRZSA-N 1 0 282.350 2.275 10 0 CEAERO CC[C@@H]1CN(Cc2ccc3ncccc3c2)CC[NH2+]1 ZINC000085434563 179061019 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179065929 /nfs/dbraw/zinc/06/59/29/179065929.db2.gz CBBOTTGUFFPEHV-CABCVRRESA-N 1 0 256.434 2.369 10 0 CEAERO CCC1(CC)C[NH2+][C@H](C)CN1CCOCC(F)(F)F ZINC000085454290 179066726 /nfs/dbraw/zinc/06/67/26/179066726.db2.gz JZAGVEWRLQVXRT-LLVKDONJSA-N 1 0 282.350 2.418 10 0 CEAERO CCC[C@H]1C[NH2+][C@@H](C)CN1Cc1cccc(OC)n1 ZINC000085453487 179066957 /nfs/dbraw/zinc/06/69/57/179066957.db2.gz KTIWNYJSWBLXOJ-JSGCOSHPSA-N 1 0 263.385 2.053 10 0 CEAERO c1cncc(CN2CC[NH2+]C[C@H]2C2CCCCC2)c1 ZINC000085452991 179067358 /nfs/dbraw/zinc/06/73/58/179067358.db2.gz RIGIITJCJUDEKH-INIZCTEOSA-N 1 0 259.397 2.436 10 0 CEAERO C[C@H]1CN(Cc2ccn(C3CCCC3)n2)[C@@H](C)C[NH2+]1 ZINC000085453213 179067377 /nfs/dbraw/zinc/06/73/77/179067377.db2.gz ULYHSDCZYSWWIV-STQMWFEESA-N 1 0 262.401 2.180 10 0 CEAERO CC[C@H]1CN(CCCOCC(F)(F)F)C(C)(C)C[NH2+]1 ZINC000085474298 179078206 /nfs/dbraw/zinc/07/82/06/179078206.db2.gz MLBQGIGFAKEORE-NSHDSACASA-N 1 0 282.350 2.418 10 0 CEAERO CCOCC[N@@H+]1C[C@H](C(C)(C)C)NC[C@@H]1C(C)C ZINC000085475875 179078811 /nfs/dbraw/zinc/07/88/11/179078811.db2.gz VHGKFLZOCZLQDN-ZIAGYGMSSA-N 1 0 256.434 2.367 10 0 CEAERO CC[C@H]1CN(Cc2ccncc2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085475156 179079080 /nfs/dbraw/zinc/07/90/80/179079080.db2.gz VHKMHIJKLSCTHH-JKSUJKDBSA-N 1 0 259.397 2.434 10 0 CEAERO CC[C@@]1(C)C[N@H+](C[C@@H]2CCCO2)[C@H](C(C)C)CN1 ZINC000085495378 179082067 /nfs/dbraw/zinc/08/20/67/179082067.db2.gz XOLKQRVIKGNVSU-KKUMJFAQSA-N 1 0 254.418 2.264 10 0 CEAERO CC(C)C[C@@H]1CN(C[C@@H]2CCCO2)C(C)(C)C[NH2+]1 ZINC000085488445 179081498 /nfs/dbraw/zinc/08/14/98/179081498.db2.gz WYCAWDUAJZQUFS-KGLIPLIRSA-N 1 0 254.418 2.264 10 0 CEAERO CC[C@H](C)[C@@H]1CN(C[C@@H]2CCCO2)[C@H](C2CC2)C[NH2+]1 ZINC000085492142 179081818 /nfs/dbraw/zinc/08/18/18/179081818.db2.gz WAGAZHJRWATXRA-TUUVXOQKSA-N 1 0 266.429 2.264 10 0 CEAERO CC1(C)CN[C@H](c2ccccc2)C[N@@H+]1CCn1cccn1 ZINC000085507531 179085938 /nfs/dbraw/zinc/08/59/38/179085938.db2.gz YKNKOKNNLFRWHB-INIZCTEOSA-N 1 0 284.407 2.308 10 0 CEAERO CC(C)C[C@@H]1C[NH2+][C@](C)(C2CC2)CN1CCn1cccn1 ZINC000085513231 179086211 /nfs/dbraw/zinc/08/62/11/179086211.db2.gz JVXWDQNCDIBUFM-SJORKVTESA-N 1 0 290.455 2.372 10 0 CEAERO CC[C@]1(C)CN[C@@](C)(C2CC2)C[N@@H+]1CCCOC ZINC000085514868 179086240 /nfs/dbraw/zinc/08/62/40/179086240.db2.gz XMUZVZDEOYGKMU-HUUCEWRRSA-N 1 0 254.418 2.266 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1ncccn1 ZINC000085512205 179086254 /nfs/dbraw/zinc/08/62/54/179086254.db2.gz PIYZDJRYQSGCJH-HOCLYGCPSA-N 1 0 274.412 2.075 10 0 CEAERO CC[C@]1(C)C[NH2+][C@@](C)(C2CC2)CN1[C@@H]1CCOC1 ZINC000085515147 179086595 /nfs/dbraw/zinc/08/65/95/179086595.db2.gz SGGUPZNLKLIBDK-RBSFLKMASA-N 1 0 252.402 2.018 10 0 CEAERO C[C@]1(C2CC2)CN(Cc2ccccn2)[C@H](C2CC2)C[NH2+]1 ZINC000085513662 179086789 /nfs/dbraw/zinc/08/67/89/179086789.db2.gz UTWXKAZVUCQWQD-DLBZAZTESA-N 1 0 271.408 2.434 10 0 CEAERO CC[C@]1(C)CN[C@](C)(C2CC2)C[N@@H+]1CCCOC ZINC000085514873 179086912 /nfs/dbraw/zinc/08/69/12/179086912.db2.gz XMUZVZDEOYGKMU-CABCVRRESA-N 1 0 254.418 2.266 10 0 CEAERO COc1cccc(CN2C[C@H](C3CC3)[NH2+]C[C@@H]2C)c1 ZINC000085521133 179087890 /nfs/dbraw/zinc/08/78/90/179087890.db2.gz SWBMIMSFMMQUTP-BLLLJJGKSA-N 1 0 260.381 2.268 10 0 CEAERO CCC1(CC)CN(CCn2ccnc2C)[C@@H](C2CC2)C[NH2+]1 ZINC000085519116 179087930 /nfs/dbraw/zinc/08/79/30/179087930.db2.gz NSLADRPGZCDBRW-MRXNPFEDSA-N 1 0 290.455 2.434 10 0 CEAERO CCC[C@@H]1C[NH2+][C@H](C2CC2)CN1CCOC(C)C ZINC000085523146 179088356 /nfs/dbraw/zinc/08/83/56/179088356.db2.gz ZUWLCBRTQYRMPB-CABCVRRESA-N 1 0 254.418 2.264 10 0 CEAERO COCC[N@@H+]1CC2(CCCC2)NC[C@]1(C)C1CC1 ZINC000085498779 179082804 /nfs/dbraw/zinc/08/28/04/179082804.db2.gz GFMSFHJNMLURKF-CQSZACIVSA-N 1 0 252.402 2.020 10 0 CEAERO COCCC[N@@H+]1CC2(CCCC2)NC[C@@H]1C1CC1 ZINC000085498235 179083721 /nfs/dbraw/zinc/08/37/21/179083721.db2.gz LHXCHRGNTUNHLP-CQSZACIVSA-N 1 0 252.402 2.020 10 0 CEAERO CC[C@]1(C)C[N@H+](C[C@@H]2CCOC2)[C@@](C)(C2CC2)CN1 ZINC000085497379 179083739 /nfs/dbraw/zinc/08/37/39/179083739.db2.gz JBUSZFNPHBQNPE-NUEKZKHPSA-N 1 0 266.429 2.266 10 0 CEAERO CCC[C@H]1C[NH2+][C@H](C2CC2)CN1Cc1ccncc1 ZINC000085523856 179088855 /nfs/dbraw/zinc/08/88/55/179088855.db2.gz YMTVCXAIZIZRGJ-HOTGVXAUSA-N 1 0 259.397 2.434 10 0 CEAERO Cn1cc(CN2C[C@H](C3CC3)[NH2+]C[C@@H]2C(C)(C)C)cn1 ZINC000085527098 179089224 /nfs/dbraw/zinc/08/92/24/179089224.db2.gz DMJMLOLVMPXHQL-HUUCEWRRSA-N 1 0 276.428 2.019 10 0 CEAERO CC[C@@]1(C)CN[C@H](C2CC2)C[N@@H+]1CC1CCOCC1 ZINC000085528636 179090663 /nfs/dbraw/zinc/09/06/63/179090663.db2.gz WVRAETZLVDRSMI-HOTGVXAUSA-N 1 0 266.429 2.266 10 0 CEAERO CCOCC[N@@H+]1C[C@@H](C2CC2)NCC12CCCCC2 ZINC000085529223 179090750 /nfs/dbraw/zinc/09/07/50/179090750.db2.gz XGYLYTKINDQMLA-HNNXBMFYSA-N 1 0 266.429 2.410 10 0 CEAERO c1ccc([C@H]2CN[C@@H](C3CC3)C[N@H+]2C[C@@H]2CCOC2)cc1 ZINC000085527307 179091193 /nfs/dbraw/zinc/09/11/93/179091193.db2.gz HXYNDCVSUAEHEF-BMGDILEWSA-N 1 0 286.419 2.448 10 0 CEAERO C[NH2+]C[C@@H]1CC[C@H](COc2cc(C)ccc2F)O1 ZINC000085563394 179094440 /nfs/dbraw/zinc/09/44/40/179094440.db2.gz NJNYEUICMKIIKF-NWDGAFQWSA-N 1 0 253.317 2.280 10 0 CEAERO c1nc2c(n1[C@@H]1CCCc3ccccc31)CC[NH2+]C2 ZINC000085567282 179094853 /nfs/dbraw/zinc/09/48/53/179094853.db2.gz ZNVZJWCQACOEBO-OAHLLOKOSA-N 1 0 253.349 2.455 10 0 CEAERO CCOc1ccc(-n2cnc3c2CC[NH2+]C3)cc1OCC ZINC000085567061 179095389 /nfs/dbraw/zinc/09/53/89/179095389.db2.gz BETYBSCEKSGMAP-UHFFFAOYSA-N 1 0 287.363 2.315 10 0 CEAERO CO[C@H]1CCC[C@@H]1n1c2c(nc1C1CC1)C[NH2+]CC2 ZINC000085570815 179096001 /nfs/dbraw/zinc/09/60/01/179096001.db2.gz XPUYATYXCILQHQ-KBPBESRZSA-N 1 0 261.369 2.146 10 0 CEAERO CCCc1nc2c(n1[C@H](C)[C@@H]1CCCO1)CC[NH2+]C2 ZINC000085570145 179096667 /nfs/dbraw/zinc/09/66/67/179096667.db2.gz ILVBRTXTKNZSOR-RISCZKNCSA-N 1 0 263.385 2.221 10 0 CEAERO C[C@@H]1CC[NH2+][C@@H](C2CC2)CN1CCC(F)(F)F ZINC000085626450 179106741 /nfs/dbraw/zinc/10/67/41/179106741.db2.gz WYTPFTUXWDDKNA-MWLCHTKSSA-N 1 0 250.308 2.401 10 0 CEAERO CCCc1nc2c(n1[C@@H](C)COCC)CC[NH2+]C2 ZINC000085572858 179098147 /nfs/dbraw/zinc/09/81/47/179098147.db2.gz VSPQTRPWDPGHLM-NSHDSACASA-N 1 0 251.374 2.079 10 0 CEAERO CC(C)c1nc2c(n1C[C@@H]1CCCOC1)CC[NH2+]C2 ZINC000085573071 179098301 /nfs/dbraw/zinc/09/83/01/179098301.db2.gz JCHKYBGPRSYHOK-LBPRGKRZSA-N 1 0 263.385 2.079 10 0 CEAERO COC[C@H](C)Cn1c(CC(C)C)nc2c1CC[NH2+]C2 ZINC000085573255 179098398 /nfs/dbraw/zinc/09/83/98/179098398.db2.gz ZDODLPFWMWIDTB-GFCCVEGCSA-N 1 0 265.401 2.010 10 0 CEAERO CC(C)Cc1nc2c(n1C[C@@H]1CCCOC1)CC[NH2+]C2 ZINC000085573052 179098488 /nfs/dbraw/zinc/09/84/88/179098488.db2.gz JDVAAHPSVVJWDK-ZDUSSCGKSA-N 1 0 277.412 2.154 10 0 CEAERO CC(C)c1nc2c(n1CCCCn1ccnc1)CC[NH2+]C2 ZINC000085573046 179098635 /nfs/dbraw/zinc/09/86/35/179098635.db2.gz VKKICWBWNUHHFK-UHFFFAOYSA-N 1 0 287.411 2.329 10 0 CEAERO CC1CCC(CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000063146249 362751532 /nfs/dbraw/zinc/75/15/32/362751532.db2.gz VOEMNEOEXWBCNG-CLRIEMFWSA-N 1 0 252.402 2.446 10 0 CEAERO COC[C@H](C)Cn1c2c(nc1C1CCCC1)C[NH2+]CC2 ZINC000085607121 179101010 /nfs/dbraw/zinc/10/10/10/179101010.db2.gz DBMQFHMKODPVHS-GFCCVEGCSA-N 1 0 277.412 2.469 10 0 CEAERO COc1cccc(CN2CCC[NH2+][C@H](C(C)(C)C)C2)n1 ZINC000085613791 179103159 /nfs/dbraw/zinc/10/31/59/179103159.db2.gz DGGVRLOCUCOHBN-AWEZNQCLSA-N 1 0 277.412 2.300 10 0 CEAERO CC(C)n1ccc(CN2CCC[NH2+][C@@H](C3CC3)C2)n1 ZINC000085616425 179103612 /nfs/dbraw/zinc/10/36/12/179103612.db2.gz WNCWFWDXYZHHNI-OAHLLOKOSA-N 1 0 262.401 2.038 10 0 CEAERO CC(C)n1ccc(CN2CCC[NH2+][C@H](C3CC3)C2)n1 ZINC000085616421 179103987 /nfs/dbraw/zinc/10/39/87/179103987.db2.gz WNCWFWDXYZHHNI-HNNXBMFYSA-N 1 0 262.401 2.038 10 0 CEAERO CCOCCN1C[C@H](Cc2ccccc2)[NH2+]CC[C@@H]1C ZINC000085618733 179103989 /nfs/dbraw/zinc/10/39/89/179103989.db2.gz RVFBVJTZRNWEIK-RDJZCZTQSA-N 1 0 276.424 2.318 10 0 CEAERO CC[C@@H](C)n1ccc(CN2CCC[NH2+][C@H](C3CC3)C2)n1 ZINC000085616313 179104694 /nfs/dbraw/zinc/10/46/94/179104694.db2.gz RJFHCUJCOYXBRL-CJNGLKHVSA-N 1 0 276.428 2.428 10 0 CEAERO CC(C)n1ccc(CN2C[C@@H](C)[NH2+]CC[C@@H]2C)n1 ZINC000085620456 179105028 /nfs/dbraw/zinc/10/50/28/179105028.db2.gz QMHHHYLDBWNARC-OLZOCXBDSA-N 1 0 250.390 2.036 10 0 CEAERO CCC(CC)n1ccc(CN2CC[NH2+]CC[C@H]2C)n1 ZINC000085622349 179105149 /nfs/dbraw/zinc/10/51/49/179105149.db2.gz BYAYZXHODKZKFA-CYBMUJFWSA-N 1 0 264.417 2.428 10 0 CEAERO Cc1n[nH]cc1CCC[NH2+][C@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000085637513 179109967 /nfs/dbraw/zinc/10/99/67/179109967.db2.gz JOOBXRXADBDGTA-RDBSUJKOSA-N 1 0 263.385 2.054 10 0 CEAERO CC[NH2+][C@H](CO)c1ccc(Br)c(C)c1 ZINC000085708041 179123111 /nfs/dbraw/zinc/12/31/11/179123111.db2.gz JLPHTICYTOWYHY-LLVKDONJSA-N 1 0 258.159 2.400 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccncc1)N1CCN(C)c2ccccc21 ZINC000111459375 136561976 /nfs/dbraw/zinc/56/19/76/136561976.db2.gz QBKGHJBDVIKOHP-CXAGYDPISA-N 1 0 282.391 2.426 10 0 CEAERO CC[NH2+][C@H](C)[C@H]1CCCCN1c1cccc(OC)n1 ZINC000111718059 136564198 /nfs/dbraw/zinc/56/41/98/136564198.db2.gz FHQVNBCWUICEIZ-CHWSQXEVSA-N 1 0 263.385 2.447 10 0 CEAERO CCC[NH2+][C@H](Cc1ccccc1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000085800693 179173757 /nfs/dbraw/zinc/17/37/57/179173757.db2.gz ZZRRWCGUNVUYNF-KURKYZTESA-N 1 0 288.435 2.461 10 0 CEAERO Cc1cccn2c(C[N@H+]3CC[C@@H](c4cnn(C)c4)C3)cnc12 ZINC000128476934 187372721 /nfs/dbraw/zinc/37/27/21/187372721.db2.gz WRINCNZTKSOMEQ-CQSZACIVSA-N 1 0 295.390 2.366 10 0 CEAERO CCC(C)(C)C1CCC(NC(=O)[C@@]2([NH3+])CCOC2)CC1 ZINC000085870104 179192545 /nfs/dbraw/zinc/19/25/45/179192545.db2.gz MVTNUXRFHPOZPT-SEEARECTSA-N 1 0 282.428 2.215 10 0 CEAERO [NH3+][C@@]1(C(=O)Nc2cccc(Cl)c2Cl)CCOC1 ZINC000085868619 179192927 /nfs/dbraw/zinc/19/29/27/179192927.db2.gz PBYMSIPGEDHOCH-NSHDSACASA-N 1 0 275.135 2.050 10 0 CEAERO CC(C)(C)[C@H](NC(=O)[C@]1([NH3+])CCOC1)c1ccc(F)cc1 ZINC000085873826 179193869 /nfs/dbraw/zinc/19/38/69/179193869.db2.gz JTCLQOMWAPGPRN-CJNGLKHVSA-N 1 0 294.370 2.147 10 0 CEAERO CC(C)(C)[C@H](NC(=O)[C@@]1([NH3+])CCOC1)c1ccc(F)cc1 ZINC000085873833 179194302 /nfs/dbraw/zinc/19/43/02/179194302.db2.gz JTCLQOMWAPGPRN-CZUORRHYSA-N 1 0 294.370 2.147 10 0 CEAERO CC[C@@H](C[NH3+])[C@@H](O)c1cc(Br)ccc1OC ZINC000085902382 179196360 /nfs/dbraw/zinc/19/63/60/179196360.db2.gz HNKWDPZLGVZVJN-QPUJVOFHSA-N 1 0 288.185 2.476 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1CNC(=O)Cc1ccccc1F ZINC000085963756 179205215 /nfs/dbraw/zinc/20/52/15/179205215.db2.gz OTQCJRACGFODAB-GXTWGEPZSA-N 1 0 264.344 2.002 10 0 CEAERO COc1ccc(C(=O)NC[C@H]2CCCC[C@H]2[NH3+])cc1F ZINC000085964791 179205442 /nfs/dbraw/zinc/20/54/42/179205442.db2.gz DQUKRTBTNJUNOI-DGCLKSJQSA-N 1 0 280.343 2.082 10 0 CEAERO CCC[NH2+][C@H](CCO)Cn1cc(-c2ccccc2)cn1 ZINC000085923408 179201566 /nfs/dbraw/zinc/20/15/66/179201566.db2.gz ZYTNBAMBNNCEQD-MRXNPFEDSA-N 1 0 273.380 2.301 10 0 CEAERO CC[NH2+][C@@H](CCO)CSc1nc2cc(C)ccc2[nH]1 ZINC000085929253 179202822 /nfs/dbraw/zinc/20/28/22/179202822.db2.gz NDKVLQACJCFYES-NSHDSACASA-N 1 0 279.409 2.324 10 0 CEAERO COc1ccc(C)cc1[C@H](O)C[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000085984933 179211695 /nfs/dbraw/zinc/21/16/95/179211695.db2.gz YRZWILPBSXHFRF-VNQPRFMTSA-N 1 0 293.407 2.178 10 0 CEAERO C[C@H](O)CC[NH2+]CC(=O)Nc1c(Cl)cccc1Cl ZINC000085989231 179213535 /nfs/dbraw/zinc/21/35/35/179213535.db2.gz BIVALYLYYCIOIM-QMMMGPOBSA-N 1 0 291.178 2.292 10 0 CEAERO CC(C)Cc1ccc([C@H](O)C[NH2+]CC[C@H](C)O)cc1 ZINC000085990221 179213645 /nfs/dbraw/zinc/21/36/45/179213645.db2.gz CRXQVAPNSSZVNZ-XJKSGUPXSA-N 1 0 265.397 2.279 10 0 CEAERO C[C@@H](O)CC[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000085989405 179213746 /nfs/dbraw/zinc/21/37/46/179213746.db2.gz NSSHHQAJHGCNGR-BXKDBHETSA-N 1 0 277.286 2.099 10 0 CEAERO CC[C@H](C)[NH2+]Cc1cnc2cnc(Br)cn12 ZINC000086004172 179214196 /nfs/dbraw/zinc/21/41/96/179214196.db2.gz DJJBCZIIHCXUKB-QMMMGPOBSA-N 1 0 283.173 2.380 10 0 CEAERO CC[NH2+][C@@H]1CC[C@H](S(=O)(=O)c2cccc(OC)c2)[C@@H]1C ZINC000086040808 179222476 /nfs/dbraw/zinc/22/24/76/179222476.db2.gz IBJINLOTFHRXHN-DFBGVHRSSA-N 1 0 297.420 2.246 10 0 CEAERO CC[NH2+][C@@H](c1ccc(OC)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000086021022 179218607 /nfs/dbraw/zinc/21/86/07/179218607.db2.gz ISLNSUVFZPUKAN-SWLSCSKDSA-N 1 0 297.420 2.089 10 0 CEAERO CC[NH2+][C@H](c1cc(C)ccc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000086021999 179218732 /nfs/dbraw/zinc/21/87/32/179218732.db2.gz DTILVXLOEVITHJ-WFASDCNBSA-N 1 0 297.420 2.089 10 0 CEAERO [NH3+][C@H](Cc1ccc2ccccc2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000086025115 179219499 /nfs/dbraw/zinc/21/94/99/179219499.db2.gz MSHGHLGSFHIFAG-HZPDHXFCSA-N 1 0 289.400 2.144 10 0 CEAERO CC[NH2+][C@@H](Cc1cc(C)ccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000086026863 179220172 /nfs/dbraw/zinc/22/01/72/179220172.db2.gz AGJALYXKQJRYLH-ZBFHGGJFSA-N 1 0 295.448 2.259 10 0 CEAERO CC[NH2+][C@@H]1CC[C@H](S(=O)(=O)c2ccc(F)cc2)[C@@H]1C ZINC000086040489 179222106 /nfs/dbraw/zinc/22/21/06/179222106.db2.gz UHQCQJIWYKYEQR-HONMWMINSA-N 1 0 285.384 2.376 10 0 CEAERO NNc1cccc(COc2cccc(F)c2F)[nH+]1 ZINC000086117785 179234688 /nfs/dbraw/zinc/23/46/88/179234688.db2.gz MPAGHNYZEVGRMJ-UHFFFAOYSA-N 1 0 251.236 2.224 10 0 CEAERO C[C@@H]([C@@H]1CCCO1)[N@@H+]1CCN[C@H](c2ccccc2)C1 ZINC000086127805 179235352 /nfs/dbraw/zinc/23/53/52/179235352.db2.gz JCFYLTIBBDXRPN-BPUTZDHNSA-N 1 0 260.381 2.200 10 0 CEAERO C[C@@H]([C@@H]1CCCO1)N1CC[NH2+][C@H](C2CCCCC2)C1 ZINC000086127779 179236126 /nfs/dbraw/zinc/23/61/26/179236126.db2.gz NOPBQGGOKGUKFS-BPUTZDHNSA-N 1 0 266.429 2.408 10 0 CEAERO C[C@@H]1CC[C@H](NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])[C@@H]1C ZINC000086082256 179228029 /nfs/dbraw/zinc/22/80/29/179228029.db2.gz IUASWUYLKIRQTH-DGTMBMJNSA-N 1 0 252.402 2.445 10 0 CEAERO CC[C@@H]1CC[C@@H](NS(=O)(=O)c2ccccc2C[NH3+])[C@@H]1C ZINC000086091442 179228840 /nfs/dbraw/zinc/22/88/40/179228840.db2.gz YYXOKMFHMQNMGB-YRGRVCCFSA-N 1 0 296.436 2.248 10 0 CEAERO CC[C@@H]1CC[C@H](NC(=O)[C@@H]([NH3+])Cc2ccccc2)[C@@H]1C ZINC000086094704 179229478 /nfs/dbraw/zinc/22/94/78/179229478.db2.gz OCXSQSGHZWJVAH-OJLVUWQFSA-N 1 0 274.408 2.497 10 0 CEAERO Cc1ccc(CN2CC[NH2+][C@H](Cc3ccccc3)C2)cn1 ZINC000086148513 179239948 /nfs/dbraw/zinc/23/99/48/179239948.db2.gz RSFNCIDRDWZFJH-GOSISDBHSA-N 1 0 281.403 2.407 10 0 CEAERO CC1(C)C[C@H](NC(=O)C[C@H]2CC[NH2+]C2)c2ccccc2O1 ZINC000129613409 365879266 /nfs/dbraw/zinc/87/92/66/365879266.db2.gz JDIJCRRUPJSLDG-OCCSQVGLSA-N 1 0 288.391 2.405 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](Cc2ccccc2)CN1[C@@H]1CCCOC1 ZINC000086175685 179245293 /nfs/dbraw/zinc/24/52/93/179245293.db2.gz DNAVZVLHSQHVPU-OKZBNKHCSA-N 1 0 288.435 2.461 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C(C)C)CN1CCc1nccs1 ZINC000086175405 179245585 /nfs/dbraw/zinc/24/55/85/179245585.db2.gz UARHDDNRDYZDCA-STQMWFEESA-N 1 0 267.442 2.394 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C(C)C)CN1Cc1cscn1 ZINC000086175747 179245967 /nfs/dbraw/zinc/24/59/67/179245967.db2.gz DAJQHEJVXIWONY-STQMWFEESA-N 1 0 253.415 2.352 10 0 CEAERO Brc1cccc(-c2noc(C3C[NH2+]C3)n2)c1 ZINC000086194429 179248358 /nfs/dbraw/zinc/24/83/58/179248358.db2.gz MIBFHUZBQHNAIN-UHFFFAOYSA-N 1 0 280.125 2.186 10 0 CEAERO CC(C)(C)OC(=O)NCC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000129708725 365887535 /nfs/dbraw/zinc/88/75/35/365887535.db2.gz YGYMGPWBTLZTEZ-UHFFFAOYSA-N 1 0 294.399 2.114 10 0 CEAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1[nH]nc2ccccc21 ZINC000607168551 347512204 /nfs/dbraw/zinc/51/22/04/347512204.db2.gz BKWCGSGMGZLQJP-IAQYHMDHSA-N 1 0 259.353 2.204 10 0 CEAERO CC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1c1cnn(CC)c1 ZINC000086218504 179249934 /nfs/dbraw/zinc/24/99/34/179249934.db2.gz RERLEVWCQQHAGX-HIFRSBDPSA-N 1 0 262.401 2.260 10 0 CEAERO C[C@@H]1CNC2(CCCCC2)C[N@@H+]1C1CCOCC1 ZINC000086218790 179250558 /nfs/dbraw/zinc/25/05/58/179250558.db2.gz CIKLSYZWKKXNNX-CYBMUJFWSA-N 1 0 252.402 2.162 10 0 CEAERO CC(C)C[C@@H]1CN(CCc2ccncc2)[C@@H](C)C[NH2+]1 ZINC000086223341 179251389 /nfs/dbraw/zinc/25/13/89/179251389.db2.gz LRFPBUZTQNBNQV-GOEBONIOSA-N 1 0 261.413 2.333 10 0 CEAERO CC[C@@H]1CN(CCc2ccncc2)[C@H](C(C)C)C[NH2+]1 ZINC000086223346 179251717 /nfs/dbraw/zinc/25/17/17/179251717.db2.gz TVMLOROCFYXRLP-CVEARBPZSA-N 1 0 261.413 2.333 10 0 CEAERO C[C@H]1C[NH2+]C2(CCCC2)CN1Cc1nccs1 ZINC000086226889 179252940 /nfs/dbraw/zinc/25/29/40/179252940.db2.gz RGEJXWMMVUHTFQ-NSHDSACASA-N 1 0 251.399 2.250 10 0 CEAERO C[C@@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1nccs1 ZINC000086226822 179253431 /nfs/dbraw/zinc/25/34/31/179253431.db2.gz JWYBIDPQQAMLDM-MFKMUULPSA-N 1 0 251.399 2.106 10 0 CEAERO CCOC1(C[NH2+]Cc2c(C)nn(C)c2OC)CCCC1 ZINC000336829955 365894062 /nfs/dbraw/zinc/89/40/62/365894062.db2.gz FDAZRWXZPURSCP-UHFFFAOYSA-N 1 0 281.400 2.176 10 0 CEAERO [NH3+][C@@H]1CCO[C@H]1c1ccc(Br)cc1F ZINC000086249688 179255091 /nfs/dbraw/zinc/25/50/91/179255091.db2.gz FFQFHUHYJUCLRD-ZJUUUORDSA-N 1 0 260.106 2.377 10 0 CEAERO C[C@@H]1CN[C@H](C(C)(C)C)C[N@@H+]1C[C@@H]1CCCOC1 ZINC000086260147 179259053 /nfs/dbraw/zinc/25/90/53/179259053.db2.gz QGANAGBUPUYCCN-RDBSUJKOSA-N 1 0 254.418 2.121 10 0 CEAERO CCC[C@@H]1CN(Cc2ccnc(C)n2)[C@H](C(C)C)C[NH2+]1 ZINC000086260255 179259140 /nfs/dbraw/zinc/25/91/40/179259140.db2.gz LEEMSAOYOBGTIE-ZBFHGGJFSA-N 1 0 276.428 2.384 10 0 CEAERO CCC1(CC)CN(Cc2nc(C)no2)[C@@H](C(C)C)C[NH2+]1 ZINC000086260334 179259150 /nfs/dbraw/zinc/25/91/50/179259150.db2.gz OQCJWRXVNGSXNT-CYBMUJFWSA-N 1 0 280.416 2.367 10 0 CEAERO CC[C@@H]1CN[C@@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCCOC1 ZINC000086260077 179259170 /nfs/dbraw/zinc/25/91/70/179259170.db2.gz GQHDPSWRQAVURN-NUEKZKHPSA-N 1 0 266.429 2.266 10 0 CEAERO Cc1cc(CN2CC3(CCCCC3)[NH2+]C[C@H]2C)on1 ZINC000086260382 179259349 /nfs/dbraw/zinc/25/93/49/179259349.db2.gz IXOSTNOXHDXESY-CYBMUJFWSA-N 1 0 263.385 2.480 10 0 CEAERO CCC1(CC)C[N@H+]([C@@H]2CCC[C@@H]2OC)[C@@H](C)CN1 ZINC000086261362 179259823 /nfs/dbraw/zinc/25/98/23/179259823.db2.gz YHPCXOTXCJCGJE-MJBXVCDLSA-N 1 0 254.418 2.406 10 0 CEAERO CC[C@@]1(C)C[N@H+](C[C@@H](C)COC)[C@H](C(C)C)CN1 ZINC000086260932 179259862 /nfs/dbraw/zinc/25/98/62/179259862.db2.gz UDTUCTMBUPGHDV-ILXRZTDVSA-N 1 0 256.434 2.367 10 0 CEAERO COc1ccc(CN2C[C@H](CC(C)C)[NH2+]C[C@@H]2C)cn1 ZINC000086263926 179260981 /nfs/dbraw/zinc/26/09/81/179260981.db2.gz XQEGYHMVQBETAG-ZFWWWQNUSA-N 1 0 277.412 2.299 10 0 CEAERO Cc1cccnc1CN1CC2(CCCC2)[NH2+]C[C@H]1C ZINC000086264948 179260996 /nfs/dbraw/zinc/26/09/96/179260996.db2.gz DPMCNGBKNBGMII-CQSZACIVSA-N 1 0 259.397 2.497 10 0 CEAERO CC[C@@]1(C)CN(Cc2nccn2C)[C@H](C(C)C)C[NH2+]1 ZINC000086264800 179261088 /nfs/dbraw/zinc/26/10/88/179261088.db2.gz HRKVPQDIOKFHTM-ZFWWWQNUSA-N 1 0 264.417 2.019 10 0 CEAERO CC[C@@H]1C[NH2+]C(C)(C)CN1Cc1scnc1C ZINC000086264675 179261163 /nfs/dbraw/zinc/26/11/63/179261163.db2.gz BXPIWSHJPDBWRA-LLVKDONJSA-N 1 0 253.415 2.414 10 0 CEAERO CC[C@H]1CN(Cc2ccc(OC)nc2)[C@@H](CC)C[NH2+]1 ZINC000086263942 179261378 /nfs/dbraw/zinc/26/13/78/179261378.db2.gz WWXMZGWHOMMRNO-KBPBESRZSA-N 1 0 263.385 2.053 10 0 CEAERO CC[C@H](COC)[N@@H+]1CC2(CCCCC2)NC[C@@H]1C ZINC000086267464 179261721 /nfs/dbraw/zinc/26/17/21/179261721.db2.gz WHMNQYXBIXLCLA-UONOGXRCSA-N 1 0 254.418 2.408 10 0 CEAERO COc1ccc(OC)c(N2CCC[NH2+][C@H](C3CC3)C2)c1 ZINC000086269555 179261966 /nfs/dbraw/zinc/26/19/66/179261966.db2.gz QXNLVVJETGEZAA-AWEZNQCLSA-N 1 0 276.380 2.282 10 0 CEAERO C[C@@H]1C[NH2+][C@](C)(C2CC2)CN1CCOC1CCCC1 ZINC000086265653 179262033 /nfs/dbraw/zinc/26/20/33/179262033.db2.gz SZOABFOMOYAENC-CJNGLKHVSA-N 1 0 266.429 2.408 10 0 CEAERO CC(C)[C@@H]1CNC2(CCCC2)C[N@@H+]1[C@@H]1CCCOC1 ZINC000086265251 179262448 /nfs/dbraw/zinc/26/24/48/179262448.db2.gz BBXJXJSDXZVUHB-CABCVRRESA-N 1 0 266.429 2.408 10 0 CEAERO CN(c1nc(Br)cs1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000086291037 179265715 /nfs/dbraw/zinc/26/57/15/179265715.db2.gz ZQVDZUNCYMIIKJ-HTQZYQBOSA-N 1 0 290.230 2.469 10 0 CEAERO Cc1cccc(OCCN2CCC[NH2+][C@@H](C3CC3)C2)c1 ZINC000086291112 179265771 /nfs/dbraw/zinc/26/57/71/179265771.db2.gz NLSQRWMDWOEEOU-QGZVFWFLSA-N 1 0 274.408 2.448 10 0 CEAERO C[NH2+][C@H]1CCCN(c2nc(Br)cs2)C1 ZINC000086290686 179265777 /nfs/dbraw/zinc/26/57/77/179265777.db2.gz FYYFKAQOZSZMSR-ZETCQYMHSA-N 1 0 276.203 2.094 10 0 CEAERO CC(C)[C@H](C[NH3+])Nc1nc(Br)cs1 ZINC000086290990 179265806 /nfs/dbraw/zinc/26/58/06/179265806.db2.gz JUMJVZPTTUTAMM-LURJTMIESA-N 1 0 264.192 2.301 10 0 CEAERO Cc1cc(CN2CCC[NH2+]C3(CCCCC3)C2)on1 ZINC000086292707 179266121 /nfs/dbraw/zinc/26/61/21/179266121.db2.gz GGQGGDMDAOWKEZ-UHFFFAOYSA-N 1 0 263.385 2.481 10 0 CEAERO CCC1(CC)CN(Cc2ccc(OC)nc2)CCC[NH2+]1 ZINC000086296450 179268032 /nfs/dbraw/zinc/26/80/32/179268032.db2.gz DVOFEUQCONMLNC-UHFFFAOYSA-N 1 0 277.412 2.444 10 0 CEAERO CC[C@H](C)[C@H]1CN(Cc2ccc(OC)nc2)CCC[NH2+]1 ZINC000086296393 179268037 /nfs/dbraw/zinc/26/80/37/179268037.db2.gz NYVCRXNCUHQWEM-DZGCQCFKSA-N 1 0 277.412 2.300 10 0 CEAERO [NH3+]CCCN(C(=O)c1ccncc1F)c1cccc(F)c1 ZINC000086315801 179268604 /nfs/dbraw/zinc/26/86/04/179268604.db2.gz ORUFBZPMHSXNFR-UHFFFAOYSA-N 1 0 291.301 2.355 10 0 CEAERO CC(C)C[C@@H]1CN(CCc2cscn2)CCC[NH2+]1 ZINC000086297900 179268974 /nfs/dbraw/zinc/26/89/74/179268974.db2.gz YTJWSAOKYOKQNV-CQSZACIVSA-N 1 0 267.442 2.396 10 0 CEAERO C[C@@H](C(=O)Nc1ncccc1O)[C@H]([NH3+])c1ccccc1 ZINC000128604620 187379467 /nfs/dbraw/zinc/37/94/67/187379467.db2.gz UTRDLOIFSRMIAT-MFKMUULPSA-N 1 0 271.320 2.062 10 0 CEAERO C[C@@H]([NH3+])c1ccccc1NC(=O)c1ccncc1F ZINC000086316287 179269889 /nfs/dbraw/zinc/26/98/89/179269889.db2.gz GMYLRWTXIRSTDE-SECBINFHSA-N 1 0 259.284 2.493 10 0 CEAERO [NH3+]C[C@H](c1cc(Cl)cs1)N1CCCOCC1 ZINC000086333327 179273170 /nfs/dbraw/zinc/27/31/70/179273170.db2.gz UTZNZUDJQMAYDH-SNVBAGLBSA-N 1 0 260.790 2.124 10 0 CEAERO [NH3+]CC1([C@H](O)c2cc(Cl)cs2)CCOCC1 ZINC000086334991 179273615 /nfs/dbraw/zinc/27/36/15/179273615.db2.gz WGRAZPUDJXTZCG-SNVBAGLBSA-N 1 0 261.774 2.190 10 0 CEAERO [NH3+][C@@H]1CC[C@H](NCc2ccccc2Br)C1 ZINC000086399741 179285338 /nfs/dbraw/zinc/28/53/38/179285338.db2.gz DLKHUQHXJJBKJY-MNOVXSKESA-N 1 0 269.186 2.419 10 0 CEAERO CN(CC1CC[NH+](C)CC1)c1nc2c(s1)CCCC2=O ZINC000086441812 179294019 /nfs/dbraw/zinc/29/40/19/179294019.db2.gz JZZRQWIENXDUFQ-UHFFFAOYSA-N 1 0 293.436 2.440 10 0 CEAERO [NH3+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000086442630 179294099 /nfs/dbraw/zinc/29/40/99/179294099.db2.gz ZOOINFDAQZJBKI-UHFFFAOYSA-N 1 0 258.144 2.359 10 0 CEAERO CC[C@@H]1CN(C(=O)c2cc(Cl)cn2C)[C@H](CC)C[NH2+]1 ZINC000086446283 179295059 /nfs/dbraw/zinc/29/50/59/179295059.db2.gz SADMROMSQOIANU-VXGBXAGGSA-N 1 0 283.803 2.281 10 0 CEAERO CC[C@@H]1CN(C(=O)c2ccc(OC)cc2)[C@@H](CC)C[NH2+]1 ZINC000086446987 179295364 /nfs/dbraw/zinc/29/53/64/179295364.db2.gz FUAQJBBQQXIYJC-KGLIPLIRSA-N 1 0 276.380 2.298 10 0 CEAERO CC[C@H]1CN(C(=O)Cc2ccsc2)[C@@H](CC)C[NH2+]1 ZINC000086448215 179295720 /nfs/dbraw/zinc/29/57/20/179295720.db2.gz WRFZKKXPBJERCS-STQMWFEESA-N 1 0 266.410 2.280 10 0 CEAERO CC[C@@H]1CN(C(=O)c2ccc(OC)cc2O)[C@H](CC)C[NH2+]1 ZINC000086446950 179295858 /nfs/dbraw/zinc/29/58/58/179295858.db2.gz LUOINPCLEVDBMH-VXGBXAGGSA-N 1 0 292.379 2.003 10 0 CEAERO COc1ccccc1-c1nn(C)cc1C[NH2+]C1CC1 ZINC000086485741 179301508 /nfs/dbraw/zinc/30/15/08/179301508.db2.gz MGXVMURUDAZIHR-UHFFFAOYSA-N 1 0 257.337 2.348 10 0 CEAERO CC(C)[C@H]([NH3+])Cc1nc([C@H]2Cc3ccccc32)no1 ZINC000086492146 179302348 /nfs/dbraw/zinc/30/23/48/179302348.db2.gz APEYUZLLDNIKCJ-QWHCGFSZSA-N 1 0 257.337 2.283 10 0 CEAERO c1ccc2c(c1)C[C@H]2c1ncc(C[NH2+]C2CC2)cn1 ZINC000086490750 179302570 /nfs/dbraw/zinc/30/25/70/179302570.db2.gz UJDFPNHZPWFISK-OAHLLOKOSA-N 1 0 251.333 2.417 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)N1CCC2(CCC2)CC1 ZINC000308697132 539577545 /nfs/dbraw/zinc/57/75/45/539577545.db2.gz NGKKLBZZYSWHKT-OLZOCXBDSA-N 1 0 250.386 2.154 10 0 CEAERO CC[C@@H]1CN(CC(=O)Nc2ccccc2)[C@@H](CC)C[NH2+]1 ZINC000086464484 179296843 /nfs/dbraw/zinc/29/68/43/179296843.db2.gz XRNZGSBBAYRMDL-HIFRSBDPSA-N 1 0 275.396 2.088 10 0 CEAERO C[C@@H]1CN(CC(C)(C)C(=O)Nc2ccccc2)[C@@H](C)C[NH2+]1 ZINC000086470296 179299584 /nfs/dbraw/zinc/29/95/84/179299584.db2.gz PPZGYBKJSXBQFC-KGLIPLIRSA-N 1 0 289.423 2.334 10 0 CEAERO COc1ccc([C@@H]2[C@@H]([NH3+])CCCC(=O)N2C)cc1Cl ZINC000086585068 179310300 /nfs/dbraw/zinc/31/03/00/179310300.db2.gz GIBIHBBGHIHKQP-SMDDNHRTSA-N 1 0 282.771 2.359 10 0 CEAERO C[C@@H](CO)C[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000086629275 179313450 /nfs/dbraw/zinc/31/34/50/179313450.db2.gz NIFTVVQZNAGQGR-OLZOCXBDSA-N 1 0 259.353 2.151 10 0 CEAERO COC(=O)[C@@]1([NH3+])CC[C@@H](Sc2cccs2)C1 ZINC000086629768 179314577 /nfs/dbraw/zinc/31/45/77/179314577.db2.gz RNFBSVLJTXYMSR-LDYMZIIASA-N 1 0 257.380 2.263 10 0 CEAERO Cn1c2ccc(C[NH3+])cc2nc1[C@H](O)c1ccccc1 ZINC000086641266 179315068 /nfs/dbraw/zinc/31/50/68/179315068.db2.gz JQTPHJIWFOSNIB-OAHLLOKOSA-N 1 0 267.332 2.114 10 0 CEAERO C[NH2+][C@H](COC)Cc1cc(F)cc(Br)c1 ZINC000086696172 179320927 /nfs/dbraw/zinc/32/09/27/179320927.db2.gz NFNBQWJFSCPQHR-NSHDSACASA-N 1 0 276.149 2.365 10 0 CEAERO CO[C@@H](C)[C@@H]([NH3+])Cc1cc(F)cc(Br)c1 ZINC000086696444 179321068 /nfs/dbraw/zinc/32/10/68/179321068.db2.gz MHYZAFWFIYVSHS-CPCISQLKSA-N 1 0 276.149 2.493 10 0 CEAERO COC[C@H](C)[N@H+](C)Cc1ccc(Br)cc1N ZINC000086706291 179322318 /nfs/dbraw/zinc/32/23/18/179322318.db2.gz IKYIAGVCBCMLCF-VIFPVBQESA-N 1 0 287.201 2.498 10 0 CEAERO Cc1nc(SCC[C@H](CO)[NH2+]C(C)C)nc(C)c1C ZINC000086646901 179316476 /nfs/dbraw/zinc/31/64/76/179316476.db2.gz FXECCRUEIWCNMW-CYBMUJFWSA-N 1 0 283.441 2.243 10 0 CEAERO C[NH+](C)C(C)(C)COc1ncc(Br)cc1N ZINC000086657952 179316613 /nfs/dbraw/zinc/31/66/13/179316613.db2.gz TYPHKZHUMKQHQQ-UHFFFAOYSA-N 1 0 288.189 2.145 10 0 CEAERO CS(=O)(=O)[C@H]1CCC[C@@H]1[NH2+]CCC1=CCCCC1 ZINC000086670811 179317702 /nfs/dbraw/zinc/31/77/02/179317702.db2.gz KDQZZFLZXKQNOZ-KBPBESRZSA-N 1 0 271.426 2.432 10 0 CEAERO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2S(C)(=O)=O)s1 ZINC000086675780 179318684 /nfs/dbraw/zinc/31/86/84/179318684.db2.gz QHPYBLPFTQUGJD-NEPJUHHUSA-N 1 0 273.423 2.112 10 0 CEAERO CC(C)C[C@H](C[NH3+])Nc1ccc(OC(F)F)cn1 ZINC000336892051 365937918 /nfs/dbraw/zinc/93/79/18/365937918.db2.gz QZMNJOFMNFZNAJ-SECBINFHSA-N 1 0 259.300 2.468 10 0 CEAERO CS(=O)(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000086675889 179319312 /nfs/dbraw/zinc/31/93/12/179319312.db2.gz KHRQODUQSXQBCM-STQMWFEESA-N 1 0 287.812 2.395 10 0 CEAERO CC[C@H](C(C)C)[NH+]1CCC([N@@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000086776224 179328661 /nfs/dbraw/zinc/32/86/61/179328661.db2.gz SCLAYHPOSSLPAB-HUUCEWRRSA-N 1 0 282.428 2.434 10 0 CEAERO C[C@H]1CCC[C@@H](C[NH3+])N1Cc1cnc(Cl)s1 ZINC000086777892 179328821 /nfs/dbraw/zinc/32/88/21/179328821.db2.gz XYGFCAKYDWQCBR-IUCAKERBSA-N 1 0 259.806 2.498 10 0 CEAERO CCC1CCC(C[NH3+])(OCCC(=O)NC(C)C)CC1 ZINC000086713218 179322791 /nfs/dbraw/zinc/32/27/91/179322791.db2.gz NYJNBDFGVOPZSZ-UHFFFAOYSA-N 1 0 270.417 2.215 10 0 CEAERO Cc1nccn1-c1ncccc1N[C@H]1CCC[N@@H+](C)CC1 ZINC000086818664 179347303 /nfs/dbraw/zinc/34/73/03/179347303.db2.gz HPHMGXLFVHCRAE-AWEZNQCLSA-N 1 0 285.395 2.472 10 0 CEAERO C[N@@H+]1CCC[C@@](Nc2ccc(Cl)cc2)(C(N)=O)CC1 ZINC000086819762 179348778 /nfs/dbraw/zinc/34/87/78/179348778.db2.gz MOKCCBBSTURNNK-AWEZNQCLSA-N 1 0 281.787 2.092 10 0 CEAERO CO[C@H](C)[C@H](C)[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000128700173 187385406 /nfs/dbraw/zinc/38/54/06/187385406.db2.gz INJXGDOURXYGEL-GUTXKFCHSA-N 1 0 250.386 2.302 10 0 CEAERO C[N@@H+]1CCC[C@@H](Nc2cccc(-n3cnnc3)c2)CC1 ZINC000086817874 179345734 /nfs/dbraw/zinc/34/57/34/179345734.db2.gz UYNGUQXFCFOAON-CYBMUJFWSA-N 1 0 271.368 2.164 10 0 CEAERO C[N@@H+]1CCC[C@H](Nc2ccc(NC(N)=O)cc2)CC1 ZINC000086818475 179346443 /nfs/dbraw/zinc/34/64/43/179346443.db2.gz PSIPXPYLOYNFAG-NSHDSACASA-N 1 0 262.357 2.073 10 0 CEAERO CC(C)[N@@H+]1CCC[C@@H](NCc2cscn2)CC1 ZINC000086845114 179355803 /nfs/dbraw/zinc/35/58/03/179355803.db2.gz SLWSZQDBCODOIF-GFCCVEGCSA-N 1 0 253.415 2.496 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC[C@@H](c2ccco2)N(C)C)CC1 ZINC000086836143 179350323 /nfs/dbraw/zinc/35/03/23/179350323.db2.gz LJTGOVYBHNSOCK-GJZGRUSLSA-N 1 0 279.428 2.346 10 0 CEAERO C[N@@H+]1CCC[C@@](O)(c2ccc(F)c(F)c2F)CC1 ZINC000086833857 179350550 /nfs/dbraw/zinc/35/05/50/179350550.db2.gz LZSAKZLSSRCDAS-ZDUSSCGKSA-N 1 0 259.271 2.407 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2ccc(N(C)C)nc2)CC1 ZINC000086838374 179351317 /nfs/dbraw/zinc/35/13/17/179351317.db2.gz YKGYGMZCZLBKOD-CYBMUJFWSA-N 1 0 262.401 2.434 10 0 CEAERO CC(C)[N@@H+]1CCC[C@](Nc2ccc(F)cc2)(C(N)=O)CC1 ZINC000086849359 179357696 /nfs/dbraw/zinc/35/76/96/179357696.db2.gz JNPNAYLLMZKCMD-MRXNPFEDSA-N 1 0 293.386 2.356 10 0 CEAERO CC(C)[N@@H+]1CCC[C@@H](NCc2nccs2)CC1 ZINC000086842590 179353418 /nfs/dbraw/zinc/35/34/18/179353418.db2.gz ATXOQSHSHWBGOO-GFCCVEGCSA-N 1 0 253.415 2.496 10 0 CEAERO CCC[N@@H+]1CCC[C@H](NCc2cc(C)on2)CC1 ZINC000086843483 179353628 /nfs/dbraw/zinc/35/36/28/179353628.db2.gz LESRZPJHWCSXNO-ZDUSSCGKSA-N 1 0 251.374 2.337 10 0 CEAERO CCC[N@@H+]1CCC[C@H]([NH+]2CCC[C@@H]2CC(=O)[O-])CC1 ZINC000086869200 179361619 /nfs/dbraw/zinc/36/16/19/179361619.db2.gz GNNWGQBZWLGPLB-UONOGXRCSA-N 1 0 268.401 2.190 10 0 CEAERO CC(C)[C@H](c1nc(Cc2ccncc2)no1)[C@@H](C)[NH3+] ZINC000104063083 185890565 /nfs/dbraw/zinc/89/05/65/185890565.db2.gz XCVYZXVTOIROBW-MFKMUULPSA-N 1 0 260.341 2.142 10 0 CEAERO Cn1c2c(cccc2F)nc1N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000334994766 282589314 /nfs/dbraw/zinc/58/93/14/282589314.db2.gz HQSLPENHIDANET-LBPRGKRZSA-N 1 0 276.359 2.276 10 0 CEAERO CCOC(=O)[C@@]1(NC(C)C)CCC[N@@H+](C(C)C)CC1 ZINC000086849779 179358629 /nfs/dbraw/zinc/35/86/29/179358629.db2.gz PNXLMIDZSKKQKQ-OAHLLOKOSA-N 1 0 270.417 2.181 10 0 CEAERO CCC[N@@H+]1CCC[C@@](N)(c2noc(C(F)(F)F)n2)CC1 ZINC000086851790 179359063 /nfs/dbraw/zinc/35/90/63/179359063.db2.gz YARXDLNUKAJXPV-NSHDSACASA-N 1 0 292.305 2.138 10 0 CEAERO [NH3+]C1(Cc2nc3cc(Br)cnc3[nH]2)CCC1 ZINC000086852314 179359187 /nfs/dbraw/zinc/35/91/87/179359187.db2.gz IKQFPEQBNRETIP-UHFFFAOYSA-N 1 0 281.157 2.144 10 0 CEAERO CCS(=O)(=O)CCC[C@@]1([NH3+])CCC[C@H](C)CC1 ZINC000086977554 179372434 /nfs/dbraw/zinc/37/24/34/179372434.db2.gz OSVWPKYGUPVYOF-STQMWFEESA-N 1 0 261.431 2.499 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH2+]C)c1cccc(F)c1 ZINC000086978492 179372514 /nfs/dbraw/zinc/37/25/14/179372514.db2.gz RDLQXPADUDCPBD-ZDUSSCGKSA-N 1 0 273.373 2.301 10 0 CEAERO CCS(=O)(=O)CCC[C@@H](C[NH3+])Cc1ccccc1OC ZINC000086980726 179373425 /nfs/dbraw/zinc/37/34/25/179373425.db2.gz JUEQMXRYFZGNTI-CYBMUJFWSA-N 1 0 299.436 2.028 10 0 CEAERO COCC[NH2+][C@@]1(c2nc(C)c(C)s2)CCCOCC1 ZINC000086877143 179365634 /nfs/dbraw/zinc/36/56/34/179365634.db2.gz KPBICCNXODZFDA-AWEZNQCLSA-N 1 0 284.425 2.392 10 0 CEAERO CC[C@@H]1CCC[C@H]([NH2+]CCc2nncn2C)CC1 ZINC000086909057 179366957 /nfs/dbraw/zinc/36/69/57/179366957.db2.gz XDRNDKHHCCGIRB-OLZOCXBDSA-N 1 0 250.390 2.306 10 0 CEAERO CC[C@@H]1CCC[C@@](NCC[NH+](C)C)(C(=O)OC)CC1 ZINC000086915921 179367188 /nfs/dbraw/zinc/36/71/88/179367188.db2.gz SIGNFZZXIDGTPK-HIFRSBDPSA-N 1 0 270.417 2.040 10 0 CEAERO CCC[C@H]1CCC[C@@](CO)([NH2+]CCN(C)C)CC1 ZINC000086952245 179368896 /nfs/dbraw/zinc/36/88/96/179368896.db2.gz ATFRPCCYEIIOFE-LSDHHAIUSA-N 1 0 256.434 2.249 10 0 CEAERO CC(C)(C)[C@@H]1CCC[C@@](C(N)=O)(N2CCC[NH2+]CC2)CC1 ZINC000086959767 179368906 /nfs/dbraw/zinc/36/89/06/179368906.db2.gz MMCSKCYXFJALDN-RHSMWYFYSA-N 1 0 295.471 2.132 10 0 CEAERO CCn1cc([C@@H]([NH2+]C)[C@@H]2CSCCS2)cn1 ZINC000086985068 179373833 /nfs/dbraw/zinc/37/38/33/179373833.db2.gz PHCYIZYZDVMARU-WDEREUQCSA-N 1 0 257.428 2.012 10 0 CEAERO CCC[NH2+][C@@H](C)[C@@H](C)c1nc(CCCOC)no1 ZINC000086971898 179370577 /nfs/dbraw/zinc/37/05/77/179370577.db2.gz MREGESAWAODQJD-MNOVXSKESA-N 1 0 255.362 2.140 10 0 CEAERO CC[NH2+][C@@H]1CCCC[C@@H]1c1nc(CCCOC)no1 ZINC000086972089 179370674 /nfs/dbraw/zinc/37/06/74/179370674.db2.gz FWXPGOLBODIEFU-NWDGAFQWSA-N 1 0 267.373 2.284 10 0 CEAERO CCC[NH2+][C@H](CCCOC)Cc1cnccc1N ZINC000086970915 179370680 /nfs/dbraw/zinc/37/06/80/179370680.db2.gz ITFGZTOHMMZBEA-CYBMUJFWSA-N 1 0 251.374 2.001 10 0 CEAERO CC[NH2+]Cc1cnc([C@H]2CSCCS2)nc1 ZINC000086985380 179373917 /nfs/dbraw/zinc/37/39/17/179373917.db2.gz ZRBNJWSQFJNCRB-SNVBAGLBSA-N 1 0 255.412 2.107 10 0 CEAERO Cc1nc([C@@H]2CSCCS2)sc1CC[NH3+] ZINC000086985337 179373921 /nfs/dbraw/zinc/37/39/21/179373921.db2.gz UQAGBBRBYPNIKJ-VIFPVBQESA-N 1 0 260.453 2.474 10 0 CEAERO CCS(=O)(=O)CCC[C@@](C)([NH3+])c1ccccc1OC ZINC000086977392 179372124 /nfs/dbraw/zinc/37/21/24/179372124.db2.gz OLORAGKLVFTLHB-CQSZACIVSA-N 1 0 285.409 2.084 10 0 CEAERO CC[C@](C)(O)C[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000087013580 179380077 /nfs/dbraw/zinc/38/00/77/179380077.db2.gz ZQFPXAFSAAKQGO-HNNXBMFYSA-N 1 0 265.353 2.099 10 0 CEAERO CCC(O)(CC)C[NH2+]C[C@@H](O)c1ccc(F)cc1F ZINC000087028484 179381854 /nfs/dbraw/zinc/38/18/54/179381854.db2.gz HOMJWAVROCFRIM-CYBMUJFWSA-N 1 0 273.323 2.139 10 0 CEAERO Cc1nc(C[C@@H]([NH3+])[C@H]2CSCCS2)cs1 ZINC000086984258 179374134 /nfs/dbraw/zinc/37/41/34/179374134.db2.gz PGVZIMLPLJQMNB-NXEZZACHSA-N 1 0 260.453 2.170 10 0 CEAERO CC(C)[NH2+]Cc1cnc([C@H]2CSCCO2)s1 ZINC000086989826 179374471 /nfs/dbraw/zinc/37/44/71/179374471.db2.gz UCILYFMNRDHWOQ-SNVBAGLBSA-N 1 0 258.412 2.446 10 0 CEAERO C[NH2+][C@@H](CCc1ccsc1)[C@H]1CSCCO1 ZINC000086988807 179374661 /nfs/dbraw/zinc/37/46/61/179374661.db2.gz PGJIIZHOXCEVTD-NWDGAFQWSA-N 1 0 257.424 2.401 10 0 CEAERO CC[NH2+][C@H](Cc1ccccc1)[C@@H]1CSCCO1 ZINC000086989033 179374698 /nfs/dbraw/zinc/37/46/98/179374698.db2.gz BVSJZGILFBDVQL-KGLIPLIRSA-N 1 0 251.395 2.339 10 0 CEAERO CCC[NH2+]Cc1cnc([C@@H]2CSCCO2)s1 ZINC000086989819 179374875 /nfs/dbraw/zinc/37/48/75/179374875.db2.gz IQDLZMZIBPYVOD-JTQLQIEISA-N 1 0 258.412 2.447 10 0 CEAERO O=C(NCC[C@H]1CCCC[NH2+]1)c1c(F)cc(F)cc1F ZINC000086996370 179376734 /nfs/dbraw/zinc/37/67/34/179376734.db2.gz ZFFFEXXJVOBFFY-SNVBAGLBSA-N 1 0 286.297 2.366 10 0 CEAERO CCCN(C(=O)c1c(F)cc(F)cc1F)[C@@H]1CC[NH2+]C1 ZINC000086996252 179376816 /nfs/dbraw/zinc/37/68/16/179376816.db2.gz IGQJKHIIGDEHHS-SNVBAGLBSA-N 1 0 286.297 2.318 10 0 CEAERO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1c(F)cc(F)cc1F ZINC000086997961 179377436 /nfs/dbraw/zinc/37/74/36/179377436.db2.gz VYIVMYCFRSADQE-PRHODGIISA-N 1 0 286.297 2.446 10 0 CEAERO CCCC(=O)N[C@H]1CCC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000066497712 362870339 /nfs/dbraw/zinc/87/03/39/362870339.db2.gz CATQJHXFWCETAQ-KBPBESRZSA-N 1 0 250.386 2.476 10 0 CEAERO C[C@@H]1CCC[C@@](O)(C[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000087049467 179388916 /nfs/dbraw/zinc/38/89/16/179388916.db2.gz ADWYCQVFGFLNEF-NFAWXSAZSA-N 1 0 255.402 2.475 10 0 CEAERO C[C@@H]1CCC[C@@](O)(C[NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000087050710 179389015 /nfs/dbraw/zinc/38/90/15/179389015.db2.gz QVYSZKWFCNSTBY-HIFRSBDPSA-N 1 0 283.412 2.203 10 0 CEAERO COc1cccc(N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000104120807 185898673 /nfs/dbraw/zinc/89/86/73/185898673.db2.gz NNUPGBKFXQDHOE-STQMWFEESA-N 1 0 261.369 2.201 10 0 CEAERO CCSCc1noc([C@@H](C[NH3+])c2ccccc2)n1 ZINC000087105313 179394777 /nfs/dbraw/zinc/39/47/77/179394777.db2.gz LIADBFZZCXBRQI-NSHDSACASA-N 1 0 263.366 2.413 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1c1nc(CSC(C)(C)C)no1 ZINC000087116022 179395177 /nfs/dbraw/zinc/39/51/77/179395177.db2.gz MQVUCKMOVRKJAS-DTWKUNHWSA-N 1 0 255.387 2.424 10 0 CEAERO CC(C)n1ccc(C[NH2+]C[C@@]2(O)CCC[C@H](C)C2)n1 ZINC000087064302 179389999 /nfs/dbraw/zinc/38/99/99/179389999.db2.gz FJVNCKXLYJYXGV-DZGCQCFKSA-N 1 0 265.401 2.495 10 0 CEAERO C[C@H]1CCC[C@@](O)(C[NH2+]Cc2cn3ccccc3n2)C1 ZINC000087064173 179390011 /nfs/dbraw/zinc/39/00/11/179390011.db2.gz IWKRDMKHFXETCJ-BBRMVZONSA-N 1 0 273.380 2.365 10 0 CEAERO CCC1CCC(O)(C[NH2+]C[C@H](O)COC2CCCC2)CC1 ZINC000087065947 179390158 /nfs/dbraw/zinc/39/01/58/179390158.db2.gz GKYUBWMAEDTJNT-CKDBGZEDSA-N 1 0 299.455 2.227 10 0 CEAERO CCC1CCC(O)(C[NH2+][C@H](C)C(=O)NC(C)(C)C)CC1 ZINC000087066082 179390247 /nfs/dbraw/zinc/39/02/47/179390247.db2.gz XGCUWTFAAWTFPR-VEAWUBTESA-N 1 0 284.444 2.211 10 0 CEAERO O[C@@H]1CCCCC[C@@H]1[NH2+]CC1(O)CCCCCC1 ZINC000087089222 179393485 /nfs/dbraw/zinc/39/34/85/179393485.db2.gz NGOUFDALDGREGE-UONOGXRCSA-N 1 0 255.402 2.355 10 0 CEAERO C[NH2+][C@@H](CSC1CCCC1)Cc1cnccc1N ZINC000087144876 179397350 /nfs/dbraw/zinc/39/73/50/179397350.db2.gz IEWPXJIVCXRMBX-GFCCVEGCSA-N 1 0 265.426 2.470 10 0 CEAERO CC[C@@H](C)SCc1noc(C[C@H]([NH3+])C2CC2)n1 ZINC000087141125 179397443 /nfs/dbraw/zinc/39/74/43/179397443.db2.gz FQVHNOAFQPRIIL-SCZZXKLOSA-N 1 0 255.387 2.381 10 0 CEAERO C[NH2+][C@@H](CC[C@H]1CCCO1)c1ccc2c(c1)NC(=O)CO2 ZINC000087213462 179402500 /nfs/dbraw/zinc/40/25/00/179402500.db2.gz KIIAWYOVDVDUFD-OLZOCXBDSA-N 1 0 290.363 2.237 10 0 CEAERO Cn1c(CC[C@@H]2CCCO2)nc2cc(C[NH3+])ccc21 ZINC000087245123 179404657 /nfs/dbraw/zinc/40/46/57/179404657.db2.gz BANOEMRUPRJNJB-LBPRGKRZSA-N 1 0 259.353 2.144 10 0 CEAERO CC(C)CSCc1noc([C@H]2C[NH2+]C[C@H]2C)n1 ZINC000087121404 179396377 /nfs/dbraw/zinc/39/63/77/179396377.db2.gz RHJSTXMUUKHUAZ-ZJUUUORDSA-N 1 0 255.387 2.282 10 0 CEAERO CCOCCCOc1ccc(OC)cc1C[C@@H](C)[NH3+] ZINC000087326058 179413513 /nfs/dbraw/zinc/41/35/13/179413513.db2.gz SAGWKDMGYUSJPL-GFCCVEGCSA-N 1 0 267.369 2.390 10 0 CEAERO C[NH2+]CCc1ncc(-c2ccc(OC)c(OC)c2)o1 ZINC000087345128 179414594 /nfs/dbraw/zinc/41/45/94/179414594.db2.gz LTKBJSQLJJDUMH-UHFFFAOYSA-N 1 0 262.309 2.121 10 0 CEAERO [NH3+]C[C@H](c1cccs1)[C@@H](O)c1cccc2c1OCCO2 ZINC000087375328 179417211 /nfs/dbraw/zinc/41/72/11/179417211.db2.gz SUMIYXUWVNNCDU-RISCZKNCSA-N 1 0 291.372 2.295 10 0 CEAERO COCC[C@@H](O)[C@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000087377009 179417261 /nfs/dbraw/zinc/41/72/61/179417261.db2.gz JONVWBIHARBNHF-BXKDBHETSA-N 1 0 278.179 2.433 10 0 CEAERO [NH3+]C[C@@H](c1ccc(F)cc1Cl)[C@@H](O)C1CCOCC1 ZINC000087380809 179417551 /nfs/dbraw/zinc/41/75/51/179417551.db2.gz HRUXPKRVTQHTFM-JSGCOSHPSA-N 1 0 287.762 2.309 10 0 CEAERO CCCS(=O)(=O)c1ccc(N[C@@H](C[NH3+])C2CC2)cc1 ZINC000087384668 179418690 /nfs/dbraw/zinc/41/86/90/179418690.db2.gz WNDCVNLJWNBZJO-AWEZNQCLSA-N 1 0 282.409 2.020 10 0 CEAERO CCC[C@@H](C[NH3+])NC(=O)Cc1cccc(Cl)c1 ZINC000087387154 179419023 /nfs/dbraw/zinc/41/90/23/179419023.db2.gz RPULBFJKQJXQLI-LBPRGKRZSA-N 1 0 254.761 2.126 10 0 CEAERO CCC[C@@H](C[NH3+])NS(=O)(=O)c1cc(Cl)ccc1C ZINC000087404150 179420074 /nfs/dbraw/zinc/42/00/74/179420074.db2.gz FMSMSMBELGFEKB-NSHDSACASA-N 1 0 290.816 2.054 10 0 CEAERO Cc1nc(NCCOC2CCC([NH3+])CC2)sc1C ZINC000087302959 179410336 /nfs/dbraw/zinc/41/03/36/179410336.db2.gz VTWUBHQLCYSRLF-UHFFFAOYSA-N 1 0 269.414 2.458 10 0 CEAERO Cc1nc(-c2cnn(C)c2)sc1C[NH2+]C(C)C ZINC000087426159 179423813 /nfs/dbraw/zinc/42/38/13/179423813.db2.gz WYAQNBWULHVERR-UHFFFAOYSA-N 1 0 250.371 2.350 10 0 CEAERO C[C@@H](CCNC(=O)N[C@@H](C)[C@H]1CCCO1)[NH+]1CCCCC1 ZINC000248450092 539636349 /nfs/dbraw/zinc/63/63/49/539636349.db2.gz IPGRWZJADWCBPS-SOUVJXGZSA-N 1 0 297.443 2.118 10 0 CEAERO FC(F)(F)COCCC[NH2+]C[C@H]1CCCS1 ZINC000087668907 179466954 /nfs/dbraw/zinc/46/69/54/179466954.db2.gz YHCQZTWZKHVMSY-SECBINFHSA-N 1 0 257.321 2.441 10 0 CEAERO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)CCC[C@H](C)[NH3+] ZINC000087699548 179472959 /nfs/dbraw/zinc/47/29/59/179472959.db2.gz XTGJETFMKMBBOQ-UWVGGRQHSA-N 1 0 266.389 2.129 10 0 CEAERO [NH3+]Cc1ccc(CC(=O)N2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000087766152 179483377 /nfs/dbraw/zinc/48/33/77/179483377.db2.gz CDFRWTBIFWXQAZ-HOTGVXAUSA-N 1 0 272.392 2.479 10 0 CEAERO C[C@]1(C(=O)N2CCC[C@H]3CCC[C@@H]32)CCC[NH2+]C1 ZINC000087770712 179483964 /nfs/dbraw/zinc/48/39/64/179483964.db2.gz PAKLWZNIMHMMCI-IPYPFGDCSA-N 1 0 250.386 2.167 10 0 CEAERO CC(C)[C@H](C[NH3+])C(=O)N(C)CCCc1ccccc1 ZINC000087516000 179437937 /nfs/dbraw/zinc/43/79/37/179437937.db2.gz YDXBSHCRCNUWIU-HNNXBMFYSA-N 1 0 262.397 2.309 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)Nc1cccc2c(O)cccc12 ZINC000087520040 179439573 /nfs/dbraw/zinc/43/95/73/179439573.db2.gz LLYHTIIKRKNRFM-JTQLQIEISA-N 1 0 258.321 2.469 10 0 CEAERO CCOC(=O)N1CC[NH2+]C[C@@H]1c1ccc2ccncc2c1 ZINC000616636957 348542864 /nfs/dbraw/zinc/54/28/64/348542864.db2.gz GZJPPTWTWYEOGT-OAHLLOKOSA-N 1 0 285.347 2.338 10 0 CEAERO CC(C)[C@H]1COCCC[N@@H+]1CCNC(=O)OC(C)(C)C ZINC000616646799 348546037 /nfs/dbraw/zinc/54/60/37/348546037.db2.gz WHEVCZSBGDFLJQ-CYBMUJFWSA-N 1 0 286.416 2.258 10 0 CEAERO CC(C)(C)[N@@H+]1CCO[C@H](c2cccc(CCO)c2)C1 ZINC000616649528 348546831 /nfs/dbraw/zinc/54/68/31/348546831.db2.gz XKBYFUNDSQGHNQ-HNNXBMFYSA-N 1 0 263.381 2.393 10 0 CEAERO COc1c(C)cnc(C[C@@H]([NH3+])[C@@H]2CCCOC2)c1C ZINC000087814065 179490951 /nfs/dbraw/zinc/49/09/51/179490951.db2.gz NJRDWYHURKFKEB-CHWSQXEVSA-N 1 0 264.369 2.003 10 0 CEAERO Cc1nc(N(C)Cc2ccsc2)c(C)c(NN)[nH+]1 ZINC000087853616 179501249 /nfs/dbraw/zinc/50/12/49/179501249.db2.gz OPPNVCCYTZSZMN-UHFFFAOYSA-N 1 0 263.370 2.077 10 0 CEAERO CC[NH2+][C@H](Cc1cc(C)ccc1C)[C@H]1COCCO1 ZINC000087857885 179502232 /nfs/dbraw/zinc/50/22/32/179502232.db2.gz PFGOLQRWMLHXNQ-HZPDHXFCSA-N 1 0 263.381 2.239 10 0 CEAERO CC[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(C)(C)c1ccccc1 ZINC000616569992 348523422 /nfs/dbraw/zinc/52/34/22/348523422.db2.gz LEGXXGCAANQNRA-ZFWWWQNUSA-N 1 0 274.408 2.469 10 0 CEAERO [NH3+][C@@H]1CN(C(=O)C2CCC2)CC[C@H]1c1cccc(F)c1 ZINC000616569604 348523486 /nfs/dbraw/zinc/52/34/86/348523486.db2.gz IZRVUEVHXQTLPD-LSDHHAIUSA-N 1 0 276.355 2.269 10 0 CEAERO CCC[NH2+][C@H](Cc1ccc(F)cc1)[C@@H]1COCCO1 ZINC000087858495 179502822 /nfs/dbraw/zinc/50/28/22/179502822.db2.gz KFXQIKZEORQPPU-CABCVRRESA-N 1 0 267.344 2.152 10 0 CEAERO CC(C)CC(=O)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000616572139 348524066 /nfs/dbraw/zinc/52/40/66/348524066.db2.gz VJZMDPPXMCCZTM-GJZGRUSLSA-N 1 0 278.371 2.434 10 0 CEAERO CC1(C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000616572023 348524388 /nfs/dbraw/zinc/52/43/88/348524388.db2.gz SQLRQMFTYGATMH-KGLIPLIRSA-N 1 0 276.355 2.188 10 0 CEAERO CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCC[NH2+]1 ZINC000616575384 348524874 /nfs/dbraw/zinc/52/48/74/348524874.db2.gz KAKDWAQZZDXHGT-SFHVURJKSA-N 1 0 295.386 2.159 10 0 CEAERO CCC(CC)CN(CC)c1cc(C)[nH+]c(NN)n1 ZINC000087864532 179505304 /nfs/dbraw/zinc/50/53/04/179505304.db2.gz JMRXXBBLSSMQTJ-UHFFFAOYSA-N 1 0 251.378 2.333 10 0 CEAERO CC(C)CCN(C)c1nc(NN)[nH+]cc1Br ZINC000087864356 179505308 /nfs/dbraw/zinc/50/53/08/179505308.db2.gz WNZQAJGMRZQFDB-UHFFFAOYSA-N 1 0 288.193 2.007 10 0 CEAERO C[C@H]1CCCN(c2nc(NN)[nH+]cc2Cl)CC1 ZINC000087877338 179507727 /nfs/dbraw/zinc/50/77/27/179507727.db2.gz RUXCIDNMPQBMGH-QMMMGPOBSA-N 1 0 255.753 2.042 10 0 CEAERO CC(C)(C)OC(=O)NC[C@H]1COCCC[N@@H+]1C(C)(C)C ZINC000616599975 348530437 /nfs/dbraw/zinc/53/04/37/348530437.db2.gz ULDXNXVCYMAMID-LBPRGKRZSA-N 1 0 286.416 2.401 10 0 CEAERO Cc1nc(OCCc2cccs2)c(C)c(NN)[nH+]1 ZINC000087886254 179510672 /nfs/dbraw/zinc/51/06/72/179510672.db2.gz IOEZCWMOCYGKGD-UHFFFAOYSA-N 1 0 264.354 2.062 10 0 CEAERO CC(C)(C)N1CC[NH2+]C[C@@H]1c1cccc2nnccc21 ZINC000616602643 348532015 /nfs/dbraw/zinc/53/20/15/348532015.db2.gz AKIDKZFDCIKSBQ-OAHLLOKOSA-N 1 0 270.380 2.375 10 0 CEAERO Cc1cc(CNc2nc[nH+]c(NN)c2C)sc1C ZINC000087886262 179510945 /nfs/dbraw/zinc/51/09/45/179510945.db2.gz BWSVROMHGIIZEY-UHFFFAOYSA-N 1 0 263.370 2.361 10 0 CEAERO CCOC(=O)c1ccc([C@H]2CCC[N@H+](CCO)C2)cc1 ZINC000616617654 348535597 /nfs/dbraw/zinc/53/55/97/348535597.db2.gz AVUACXDQHSUXEL-HNNXBMFYSA-N 1 0 277.364 2.035 10 0 CEAERO OCC[NH+]1CCC(c2ccc3ccccc3n2)CC1 ZINC000616619916 348536493 /nfs/dbraw/zinc/53/64/93/348536493.db2.gz SNYRKUNCVAWGPK-UHFFFAOYSA-N 1 0 256.349 2.407 10 0 CEAERO OCC[NH+]1CCC(c2cc3ccccc3cn2)CC1 ZINC000616619871 348536595 /nfs/dbraw/zinc/53/65/95/348536595.db2.gz SEBZDZAIHQOZLW-UHFFFAOYSA-N 1 0 256.349 2.407 10 0 CEAERO C[NH2+][C@@H](Cc1cnn(C)c1)[C@@H]1CCc2ccccc21 ZINC000088030963 179537024 /nfs/dbraw/zinc/53/70/24/179537024.db2.gz NYZZROYXUPTIHY-CVEARBPZSA-N 1 0 255.365 2.281 10 0 CEAERO CC(C)[NH2+]C[C@H](CCS(C)(=O)=O)c1ccccc1 ZINC000088098209 179546994 /nfs/dbraw/zinc/54/69/94/179546994.db2.gz WMNWBTMTYCEPMO-AWEZNQCLSA-N 1 0 269.410 2.203 10 0 CEAERO CCC[NH2+][C@@H](CCc1ccc(OC)cc1)[C@@H]1COCCO1 ZINC000088105725 179550150 /nfs/dbraw/zinc/55/01/50/179550150.db2.gz LIZZNQIHQPKSIL-IRXDYDNUSA-N 1 0 293.407 2.411 10 0 CEAERO C[C@H]1CN(CCc2ccc3c(c2)CCO3)[C@H](C2CC2)C[NH2+]1 ZINC000088110977 179550942 /nfs/dbraw/zinc/55/09/42/179550942.db2.gz ZXAUBVRMPSCSIF-GUYCJALGSA-N 1 0 286.419 2.236 10 0 CEAERO Cc1cc(-c2noc(CCCC[NH3+])n2)cc(C)c1O ZINC000088153286 179558530 /nfs/dbraw/zinc/55/85/30/179558530.db2.gz ZWPYYIAXEXDPDL-UHFFFAOYSA-N 1 0 261.325 2.340 10 0 CEAERO Cc1ccnc(Cl)c1NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000088188952 179561229 /nfs/dbraw/zinc/56/12/29/179561229.db2.gz BUYOMJKTVGZKQE-VIFPVBQESA-N 1 0 253.733 2.124 10 0 CEAERO C[C@@H](O)C[C@H](C[NH3+])c1ccc(Br)cc1F ZINC000088186833 179561564 /nfs/dbraw/zinc/56/15/64/179561564.db2.gz BCIGLZARAPXJHS-HTQZYQBOSA-N 1 0 276.149 2.401 10 0 CEAERO CC(C)(C)[N@@H+]1CCOC[C@H](c2ccc(CO)cc2)C1 ZINC000616661567 348553027 /nfs/dbraw/zinc/55/30/27/348553027.db2.gz USXAHGHMQTUZGS-OAHLLOKOSA-N 1 0 263.381 2.393 10 0 CEAERO Nc1nc(CC[NH2+][C@H]2C[C@H]2c2ccccc2)cs1 ZINC000088193334 179563060 /nfs/dbraw/zinc/56/30/60/179563060.db2.gz DUZGGKRSJVNEIF-STQMWFEESA-N 1 0 259.378 2.414 10 0 CEAERO [NH3+]CCN1C[C@@H](c2ccccc2CO)Cc2ccccc21 ZINC000616672314 348556042 /nfs/dbraw/zinc/55/60/42/348556042.db2.gz MOUXLEHTCZBNJQ-INIZCTEOSA-N 1 0 282.387 2.284 10 0 CEAERO Nc1cccc([C@@H]2CCc3ccccc3N2CC[NH3+])n1 ZINC000616670203 348556055 /nfs/dbraw/zinc/55/60/55/348556055.db2.gz LYSIODOZFHLKPI-HNNXBMFYSA-N 1 0 268.364 2.116 10 0 CEAERO [NH3+]CCN1CCCO[C@H](c2ccc(Cl)cc2)C1 ZINC000616681646 348558915 /nfs/dbraw/zinc/55/89/15/348558915.db2.gz REMYRJKWLYPAPU-ZDUSSCGKSA-N 1 0 254.761 2.062 10 0 CEAERO CC[N@@H+]1CCO[C@H](c2ccc3nnccc3c2)CC1 ZINC000616687333 348560710 /nfs/dbraw/zinc/56/07/10/348560710.db2.gz VCLBFPIZFJKGDJ-HNNXBMFYSA-N 1 0 257.337 2.413 10 0 CEAERO CC(C)[N@@H+]1CCO[C@H](CCNC(=O)OC(C)(C)C)CC1 ZINC000616686963 348560900 /nfs/dbraw/zinc/56/09/00/348560900.db2.gz NFXXCWXDURGUPE-CYBMUJFWSA-N 1 0 286.416 2.401 10 0 CEAERO [NH3+]CCN1C[C@@H](c2ccccc2CO)Nc2ccccc21 ZINC000616692033 348562548 /nfs/dbraw/zinc/56/25/48/348562548.db2.gz JCJUEGBXVXGOJE-INIZCTEOSA-N 1 0 283.375 2.111 10 0 CEAERO CCOc1ccccc1OCC[NH2+]C[C@H](C)N(C)C ZINC000088400638 179593040 /nfs/dbraw/zinc/59/30/40/179593040.db2.gz YWZMMLRHLNBGSR-ZDUSSCGKSA-N 1 0 266.385 2.004 10 0 CEAERO C[C@@H]1CCC[C@@]([NH3+])(C(=O)N(C)CCC(F)(F)F)C1 ZINC000088420433 179597420 /nfs/dbraw/zinc/59/74/20/179597420.db2.gz BVEFHECAWSHKLE-KOLCDFICSA-N 1 0 266.307 2.305 10 0 CEAERO CC[NH2+][C@@H]1CCCN(CC(C2CC2)C2CC2)C1=O ZINC000088464802 179609100 /nfs/dbraw/zinc/60/91/00/179609100.db2.gz LDIGCLPHGKOQLT-CQSZACIVSA-N 1 0 250.386 2.023 10 0 CEAERO CC(C)CSC[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000088398353 179591748 /nfs/dbraw/zinc/59/17/48/179591748.db2.gz RRMYXDCNXBPBAY-UONOGXRCSA-N 1 0 253.411 2.307 10 0 CEAERO CCOCCN(CC)C(=O)CCC1CCC([NH3+])CC1 ZINC000104203015 185929133 /nfs/dbraw/zinc/92/91/33/185929133.db2.gz FOMOGNDBDFDNBH-UHFFFAOYSA-N 1 0 270.417 2.169 10 0 CEAERO CC(C)n1ncnc1C[C@]1([NH3+])CCc2ccccc2C1 ZINC000088607088 179636529 /nfs/dbraw/zinc/63/65/29/179636529.db2.gz CDQCCYXZGUCGGD-INIZCTEOSA-N 1 0 270.380 2.288 10 0 CEAERO CC[NH2+][C@H](Cc1ncnn1CC)C1CCCCC1 ZINC000088610764 179637820 /nfs/dbraw/zinc/63/78/20/179637820.db2.gz MAFCFELUNQQJSZ-CYBMUJFWSA-N 1 0 250.390 2.399 10 0 CEAERO CCCn1ncnc1C[C@H]([NH3+])Cc1ccc(Cl)cc1 ZINC000088610169 179638028 /nfs/dbraw/zinc/63/80/28/179638028.db2.gz TVMXGMNHGFYFFT-CYBMUJFWSA-N 1 0 278.787 2.454 10 0 CEAERO CCC1(CC)C[NH2+][C@@H](C)CN1Cc1ncnn1CC(C)C ZINC000088625068 179641666 /nfs/dbraw/zinc/64/16/66/179641666.db2.gz MRULBEZPYBKIAL-AWEZNQCLSA-N 1 0 293.459 2.287 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@](C)(CC)CN1Cc1ncnn1CCC ZINC000088625564 179642654 /nfs/dbraw/zinc/64/26/54/179642654.db2.gz WPBXIFWCOKFYET-ZBFHGGJFSA-N 1 0 293.459 2.431 10 0 CEAERO CCn1ncnc1CN1CC(CC)(CC)[NH2+]C[C@H]1C1CC1 ZINC000088625706 179643217 /nfs/dbraw/zinc/64/32/17/179643217.db2.gz RNLPAWIDAILGGV-AWEZNQCLSA-N 1 0 291.443 2.041 10 0 CEAERO C[NH2+][C@H](Cc1nc2ccccc2s1)[C@@H]1CCOC1 ZINC000088518765 179617456 /nfs/dbraw/zinc/61/74/56/179617456.db2.gz VCVHAPIKFDMMJY-ZYHUDNBSSA-N 1 0 262.378 2.463 10 0 CEAERO CCc1nc(CC)n([C@@H]2C[C@@H](C)CC[C@@H]2C[NH3+])n1 ZINC000088740282 179662091 /nfs/dbraw/zinc/66/20/91/179662091.db2.gz FIDQMBRIVMIGHR-QJPTWQEYSA-N 1 0 250.390 2.339 10 0 CEAERO CCc1nc(CC)n(CCCC(C)(C)C(N)=[NH2+])n1 ZINC000088741791 179662892 /nfs/dbraw/zinc/66/28/92/179662892.db2.gz SOPFIVVNDGEGCC-UHFFFAOYSA-N 1 0 251.378 2.145 10 0 CEAERO O[C@@H](C[NH2+][C@@H]1CC=CCC1)c1ccc2c(c1)OCO2 ZINC000088748535 179664164 /nfs/dbraw/zinc/66/41/64/179664164.db2.gz PEHKCPPSGVDQCM-OLZOCXBDSA-N 1 0 261.321 2.147 10 0 CEAERO COCCc1nnc(CCC[NH2+]C(C)(C)C)s1 ZINC000088812965 179677304 /nfs/dbraw/zinc/67/73/04/179677304.db2.gz FCMFKRWPKDEMTP-UHFFFAOYSA-N 1 0 257.403 2.048 10 0 CEAERO CC(C)[NH2+]CCCc1nnc(CCC(F)(F)F)o1 ZINC000088834915 179680550 /nfs/dbraw/zinc/68/05/50/179680550.db2.gz HPXYPCQLSCSSAU-UHFFFAOYSA-N 1 0 265.279 2.495 10 0 CEAERO COc1ccc(CC[NH2+]CCOC(F)(F)F)cc1 ZINC000089051590 179694374 /nfs/dbraw/zinc/69/43/74/179694374.db2.gz GAUCPWQPTPKRQF-UHFFFAOYSA-N 1 0 263.259 2.364 10 0 CEAERO C[C@H]1CCC[C@](O)(C[NH2+]CCOC(F)(F)F)C1 ZINC000089051869 179694435 /nfs/dbraw/zinc/69/44/35/179694435.db2.gz SNCZTWMJPDSTDQ-VHSXEESVSA-N 1 0 255.280 2.054 10 0 CEAERO CC1(C)C[NH2+][C@@](C)(C2CC2)CN1CCOC(F)(F)F ZINC000089057521 179695360 /nfs/dbraw/zinc/69/53/60/179695360.db2.gz RZSZTSHCSMUFAE-GFCCVEGCSA-N 1 0 280.334 2.375 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1cc(Cl)cn1C1CC1 ZINC000089091092 179699052 /nfs/dbraw/zinc/69/90/52/179699052.db2.gz DKPLYURWNNVZDX-SKDRFNHKSA-N 1 0 281.787 2.334 10 0 CEAERO COc1ccccc1NC(=O)N(C)[C@H]1CCC[C@H]1C[NH3+] ZINC000089111318 179706201 /nfs/dbraw/zinc/70/62/01/179706201.db2.gz OJOPQOVJEXPXPB-AAEUAGOBSA-N 1 0 277.368 2.286 10 0 CEAERO CN(c1cccc(Cl)c1C(N)=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089112819 179706538 /nfs/dbraw/zinc/70/65/38/179706538.db2.gz HSVYTNNMBHMWCW-KOLCDFICSA-N 1 0 281.787 2.003 10 0 CEAERO CC(C)[NH2+]CCCCS(=O)(=O)N(C)CC1CCCC1 ZINC000089037009 179692819 /nfs/dbraw/zinc/69/28/19/179692819.db2.gz JAFXTWCZJJMJHM-UHFFFAOYSA-N 1 0 290.473 2.216 10 0 CEAERO COCC(=O)Nc1cccc(N[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000089142702 179720949 /nfs/dbraw/zinc/72/09/49/179720949.db2.gz WPMVTCHTTGCHHD-WFASDCNBSA-N 1 0 291.395 2.201 10 0 CEAERO CCN(C(=O)c1ccc2c(c1)OCO2)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089114492 179709589 /nfs/dbraw/zinc/70/95/89/179709589.db2.gz BLQJDCGMJGRIOK-CHWSQXEVSA-N 1 0 290.363 2.005 10 0 CEAERO Cc1ccc(C(=O)N(C)C)cc1N[C@H]1CCC[C@H]1C[NH3+] ZINC000089148799 179724603 /nfs/dbraw/zinc/72/46/03/179724603.db2.gz NMGZXNCBCFQCNC-KBPBESRZSA-N 1 0 275.396 2.236 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1Nc1cc2c(cc1Cl)NC(=O)CO2 ZINC000089148743 179724975 /nfs/dbraw/zinc/72/49/75/179724975.db2.gz VKGQPSJUHVHUIP-SCZZXKLOSA-N 1 0 295.770 2.210 10 0 CEAERO CCNC(=O)c1ccc(N[C@H]2CCC[C@@H]2C[NH3+])c(C)c1 ZINC000089150069 179725774 /nfs/dbraw/zinc/72/57/74/179725774.db2.gz UTRRLRVGSPFPSP-HIFRSBDPSA-N 1 0 275.396 2.284 10 0 CEAERO C[C@H]1C[C@H](O)C[N@H+](CCCCC2CCOCC2)C1 ZINC000401761490 233184478 /nfs/dbraw/zinc/18/44/78/233184478.db2.gz WMKFIXJQEVTHMF-ZFWWWQNUSA-N 1 0 255.402 2.286 10 0 CEAERO C[C@H]1C[C@@H](O)C[N@H+](CCCC(=O)c2ccccc2)C1 ZINC000401761650 233184907 /nfs/dbraw/zinc/18/49/07/233184907.db2.gz SHONJMXJJDYJIF-DZGCQCFKSA-N 1 0 261.365 2.352 10 0 CEAERO Cc1ccc(C)c(OCC[N@H+]2C[C@H](O)C[C@H](C)C2)c1 ZINC000401707927 233185392 /nfs/dbraw/zinc/18/53/92/233185392.db2.gz RPYSWVAHMXAILO-DZGCQCFKSA-N 1 0 263.381 2.385 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000089451769 539717072 /nfs/dbraw/zinc/71/70/72/539717072.db2.gz MQCRNMOCXQJLCA-DOMZBBRYSA-N 1 0 284.363 2.186 10 0 CEAERO COCCN(Cc1ccccc1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089455199 539717231 /nfs/dbraw/zinc/71/72/31/539717231.db2.gz KKLAZFOJZOYJNI-HOTGVXAUSA-N 1 0 290.407 2.037 10 0 CEAERO CCc1cc(CN2C[C@H](C(C)(C)C)[NH2+]C[C@@H]2C)n(C)n1 ZINC000089209928 179755152 /nfs/dbraw/zinc/75/51/52/179755152.db2.gz ZXAHPRHLHAGQEN-SWLSCSKDSA-N 1 0 278.444 2.191 10 0 CEAERO CCc1cc(CN2C[C@@H](C(C)(C)C)[NH2+]C[C@@H]2C)n(C)n1 ZINC000089209933 179755403 /nfs/dbraw/zinc/75/54/03/179755403.db2.gz ZXAHPRHLHAGQEN-WFASDCNBSA-N 1 0 278.444 2.191 10 0 CEAERO CCn1nc(C)c(Cl)c1CN1C[C@@H](C)[NH2+]CC1(C)C ZINC000089304785 179767469 /nfs/dbraw/zinc/76/74/69/179767469.db2.gz DWDHHDLDWHLRNM-SNVBAGLBSA-N 1 0 284.835 2.437 10 0 CEAERO CCc1nn(C)c(CN2[C@H](C)CCC[C@@H]2C[NH3+])c1Cl ZINC000089322988 179769035 /nfs/dbraw/zinc/76/90/35/179769035.db2.gz GBXJEJJEYNMOHH-GHMZBOCLSA-N 1 0 284.835 2.338 10 0 CEAERO CCc1nn(CC)c(CN2CCC[C@H]2C[NH2+]C)c1Cl ZINC000089350617 179771571 /nfs/dbraw/zinc/77/15/71/179771571.db2.gz HFNUKKMUMZVWSU-NSHDSACASA-N 1 0 284.835 2.303 10 0 CEAERO CCc1nn(CC)c(C[C@H]([NH3+])[C@@H]2CCCO2)c1Cl ZINC000089360900 179772923 /nfs/dbraw/zinc/77/29/23/179772923.db2.gz LKNCAZPLJIGOJE-CABZTGNLSA-N 1 0 271.792 2.168 10 0 CEAERO C[C@@H]([NH3+])[C@H](Sc1nnc(N(C)C)s1)C(C)(C)C ZINC000104311559 185962931 /nfs/dbraw/zinc/96/29/31/185962931.db2.gz SJYVVKIUWAZATR-SFYZADRCSA-N 1 0 274.459 2.458 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C2CC2)CN1Cc1c(Cl)c(C)nn1C ZINC000089271123 179763212 /nfs/dbraw/zinc/76/32/12/179763212.db2.gz SAUXTGNBCNZNIU-OLZOCXBDSA-N 1 0 296.846 2.344 10 0 CEAERO CCn1nc(C)c(Cl)c1C[C@H]([NH2+]C)c1ccn(C)n1 ZINC000089297788 179766552 /nfs/dbraw/zinc/76/65/52/179766552.db2.gz RGABAMVCAAJPIZ-NSHDSACASA-N 1 0 281.791 2.102 10 0 CEAERO C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089386522 179777496 /nfs/dbraw/zinc/77/74/96/179777496.db2.gz DLDKXVOWYHQNIO-SYQHCUMBSA-N 1 0 252.402 2.446 10 0 CEAERO CCCCN(CC[NH3+])C(=O)Nc1ccc(OC)cc1 ZINC000104313969 185963774 /nfs/dbraw/zinc/96/37/74/185963774.db2.gz FMKHSZFYZMSVLT-UHFFFAOYSA-N 1 0 265.357 2.288 10 0 CEAERO Cc1ccccc1CNC(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089390360 179778982 /nfs/dbraw/zinc/77/89/82/179778982.db2.gz CAYINEFTVMBCSU-HIFRSBDPSA-N 1 0 260.381 2.376 10 0 CEAERO CC(C)N(CC1CC1)C(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089396785 179780104 /nfs/dbraw/zinc/78/01/04/179780104.db2.gz XZYJCZFTRKQODC-KGLIPLIRSA-N 1 0 252.402 2.399 10 0 CEAERO COc1ccc(C)cc1NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089449250 179791808 /nfs/dbraw/zinc/79/18/08/179791808.db2.gz DZNWFUOANDTDGK-RYUDHWBXSA-N 1 0 262.353 2.317 10 0 CEAERO C[C@H](Cc1cccs1)NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089452400 179792762 /nfs/dbraw/zinc/79/27/62/179792762.db2.gz CIXXWWHKANFZND-WZRBSPASSA-N 1 0 266.410 2.170 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1ccccc1-n1cccn1 ZINC000089452619 179793070 /nfs/dbraw/zinc/79/30/70/179793070.db2.gz RVOLZDZISSCDFS-STQMWFEESA-N 1 0 284.363 2.186 10 0 CEAERO COC(=O)Nc1cccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000089454746 179793437 /nfs/dbraw/zinc/79/34/37/179793437.db2.gz MJHOCMBUBKZAGE-GWCFXTLKSA-N 1 0 291.351 2.178 10 0 CEAERO CC(C)n1ccnc(NC[C@@H]2CCCC[C@H]2C[NH3+])c1=O ZINC000089532354 179811645 /nfs/dbraw/zinc/81/16/45/179811645.db2.gz HVSXSYRHTHSSEB-STQMWFEESA-N 1 0 278.400 2.001 10 0 CEAERO CCCc1noc(COC[C@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000089535784 179812611 /nfs/dbraw/zinc/81/26/11/179812611.db2.gz OZUGSOCKKBXLOE-VXGBXAGGSA-N 1 0 267.373 2.304 10 0 CEAERO CC[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000089482148 179800935 /nfs/dbraw/zinc/80/09/35/179800935.db2.gz VBJPHVJOKOTGKB-AAVRWANBSA-N 1 0 252.402 2.446 10 0 CEAERO COc1ccccc1OCC[NH2+]C[C@H]1CCC[C@H]1CO ZINC000089498606 179804255 /nfs/dbraw/zinc/80/42/55/179804255.db2.gz YVUUQKUGERSYQI-KGLIPLIRSA-N 1 0 279.380 2.072 10 0 CEAERO Cc1cccc(CCC(=O)NC[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089500498 179805061 /nfs/dbraw/zinc/80/50/61/179805061.db2.gz IFCJNRMGOAXHRC-CVEARBPZSA-N 1 0 274.408 2.419 10 0 CEAERO COc1cc(C[NH2+]C[C@@H]2CCCC[C@H]2CO)ccc1O ZINC000089504829 179806508 /nfs/dbraw/zinc/80/65/08/179806508.db2.gz PXNLUMCBZOZIQL-KBPBESRZSA-N 1 0 279.380 2.289 10 0 CEAERO COC(=O)C[C@@H]([NH2+]C[C@@H]1CCCOC1)c1cccs1 ZINC000104318571 185966269 /nfs/dbraw/zinc/96/62/69/185966269.db2.gz XCLALZVQWPFXAS-NWDGAFQWSA-N 1 0 283.393 2.369 10 0 CEAERO C[C@](O)(C[NH2+]C[C@@H]1CCCC[C@@H]1CO)c1ccccc1 ZINC000089530438 179810395 /nfs/dbraw/zinc/81/03/95/179810395.db2.gz HUWOOKOWRBJOGD-UXLLHSPISA-N 1 0 277.408 2.282 10 0 CEAERO COc1ccc(OCC[NH2+]C[C@H]2CCCC[C@@H]2CO)cc1 ZINC000089529100 179810452 /nfs/dbraw/zinc/81/04/52/179810452.db2.gz XJQDSHOIIZLAIB-HUUCEWRRSA-N 1 0 293.407 2.462 10 0 CEAERO CC(C)(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC000089756103 179861725 /nfs/dbraw/zinc/86/17/25/179861725.db2.gz ZUCLXFOZWFVZGT-FRRDWIJNSA-N 1 0 280.412 2.376 10 0 CEAERO CCN(C(=O)c1cc(Cl)cn1CC)[C@H]1CCC[NH2+]C1 ZINC000104342136 185975873 /nfs/dbraw/zinc/97/58/73/185975873.db2.gz IGCWIIQBVKJXSE-LBPRGKRZSA-N 1 0 283.803 2.376 10 0 CEAERO CCCC1([NH3+])CN(c2nc(C(C)(C)C)ns2)C1 ZINC000089655606 179841628 /nfs/dbraw/zinc/84/16/28/179841628.db2.gz QTNGQVRVJHBKAJ-UHFFFAOYSA-N 1 0 254.403 2.153 10 0 CEAERO COc1ccc(C[C@H](C)N(C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000104361491 185984195 /nfs/dbraw/zinc/98/41/95/185984195.db2.gz RQPPFWWBALIJBT-DZGCQCFKSA-N 1 0 262.397 2.310 10 0 CEAERO CCCN(C(=O)c1c(F)cccc1Cl)C1C[NH2+]C1 ZINC000090292889 179951564 /nfs/dbraw/zinc/95/15/64/179951564.db2.gz UREQUGDLEOOCRS-UHFFFAOYSA-N 1 0 270.735 2.303 10 0 CEAERO Cc1cccc2oc(CCOC3CC[NH2+]CC3)nc21 ZINC000104388299 185989527 /nfs/dbraw/zinc/98/95/27/185989527.db2.gz GQKMKKFMPAZYTG-UHFFFAOYSA-N 1 0 260.337 2.447 10 0 CEAERO CC(C)C[C@@](C)(O)C[NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000090268397 179943311 /nfs/dbraw/zinc/94/33/11/179943311.db2.gz FCDZAOXKHTZLRY-MEDUHNTESA-N 1 0 291.395 2.304 10 0 CEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C(=O)Cc1ccc(C)c(C)c1 ZINC000090330176 179961281 /nfs/dbraw/zinc/96/12/81/179961281.db2.gz QKJARENGMLLWAW-IXDOHACOSA-N 1 0 286.419 2.302 10 0 CEAERO COc1ccc([C@@H](C)N2CC[C@H]([NH2+]C(C)C)C2=O)cc1 ZINC000090340817 179967473 /nfs/dbraw/zinc/96/74/73/179967473.db2.gz UCTCJLHJETUDQM-DOMZBBRYSA-N 1 0 276.380 2.355 10 0 CEAERO CC[NH2+][C@@H]1CCCN([C@H](C)c2ccc(OC)cc2)C1=O ZINC000090340800 179967527 /nfs/dbraw/zinc/96/75/27/179967527.db2.gz LMAOQMLZMINVEE-IUODEOHRSA-N 1 0 276.380 2.357 10 0 CEAERO C[C@H]([NH3+])CCSCC(=O)NCCC1=CCCCC1 ZINC000090346108 179970782 /nfs/dbraw/zinc/97/07/82/179970782.db2.gz OAOOUYDWAHRWEL-LBPRGKRZSA-N 1 0 270.442 2.464 10 0 CEAERO Cc1ccc(NC(=O)CS[C@@H](C)CC[NH3+])cc1 ZINC000090355016 179974078 /nfs/dbraw/zinc/97/40/78/179974078.db2.gz YFDRHDWFCZHJCR-NSHDSACASA-N 1 0 252.383 2.404 10 0 CEAERO C[C@H](CC[NH3+])SCc1nc(-c2ccccn2)no1 ZINC000090354739 179974176 /nfs/dbraw/zinc/97/41/76/179974176.db2.gz ZJXBYBWYPZTJAL-SECBINFHSA-N 1 0 264.354 2.102 10 0 CEAERO C[NH2+][C@H]1COC[C@H]1c1nc2cc(Cl)ccc2o1 ZINC000090424770 179984552 /nfs/dbraw/zinc/98/45/52/179984552.db2.gz STKMTRGZKZJURR-SCZZXKLOSA-N 1 0 252.701 2.183 10 0 CEAERO O[C@H]1COCC[C@H]1[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000623765317 350106321 /nfs/dbraw/zinc/10/63/21/350106321.db2.gz QUABJHVQIQRDOR-NEPJUHHUSA-N 1 0 293.260 2.084 10 0 CEAERO CCCC1CCC(NC(=O)[C@@H]2COC[C@H]2[NH2+]CC)CC1 ZINC000090491692 179992168 /nfs/dbraw/zinc/99/21/68/179992168.db2.gz FZYSCFIUSQPESA-NEXFUWMNSA-N 1 0 282.428 2.086 10 0 CEAERO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCOC[C@H]1O ZINC000623767205 350107044 /nfs/dbraw/zinc/10/70/44/350107044.db2.gz RXPANMCXSIPCQG-DDTOSNHZSA-N 1 0 269.772 2.010 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc(SC)cc1 ZINC000090538591 180000211 /nfs/dbraw/zinc/00/02/11/180000211.db2.gz ZFRPUCIWUAXWQU-KGLIPLIRSA-N 1 0 294.420 2.362 10 0 CEAERO C[C@@H](c1ccccc1)N(C)C(=O)CSCC1C[NH2+]C1 ZINC000090712314 180028537 /nfs/dbraw/zinc/02/85/37/180028537.db2.gz ABPCSOKPJMMSCP-LBPRGKRZSA-N 1 0 278.421 2.159 10 0 CEAERO COc1ccc(C(C)=O)cc1CSCC1C[NH2+]C1 ZINC000090712229 180028703 /nfs/dbraw/zinc/02/87/03/180028703.db2.gz WZGWPCVYIHUQBC-UHFFFAOYSA-N 1 0 265.378 2.350 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1CN(C)c1cccc(F)c1 ZINC000090566730 180006286 /nfs/dbraw/zinc/00/62/86/180006286.db2.gz WMVBYOZOKUVBNT-SWLSCSKDSA-N 1 0 266.360 2.277 10 0 CEAERO C[C@]1(c2nc3cc(F)ccc3n2C2CC2)COC[C@H]1[NH3+] ZINC000090571730 180007856 /nfs/dbraw/zinc/00/78/56/180007856.db2.gz SGYDVISRESMZKC-HIFRSBDPSA-N 1 0 275.327 2.126 10 0 CEAERO C[C@@]1(c2ccccc2)OC[C@@H](CSCC2C[NH2+]C2)O1 ZINC000090712153 180028764 /nfs/dbraw/zinc/02/87/64/180028764.db2.gz GPCXZFNZZIBDSK-LSDHHAIUSA-N 1 0 279.405 2.227 10 0 CEAERO C[C@]1(C(=O)Nc2cccc(Cl)c2Cl)COC[C@@H]1[NH3+] ZINC000090581934 180008285 /nfs/dbraw/zinc/00/82/85/180008285.db2.gz URFZFVHDGRWCTD-CABZTGNLSA-N 1 0 289.162 2.296 10 0 CEAERO C[C@@]1(C(=O)Nc2ccccc2C(F)(F)F)COC[C@H]1[NH3+] ZINC000090580304 180008541 /nfs/dbraw/zinc/00/85/41/180008541.db2.gz LLSWDPUZTJBTEQ-ZYHUDNBSSA-N 1 0 288.269 2.008 10 0 CEAERO C[C@]1(C(=O)Nc2cccc(C(F)(F)F)c2)COC[C@H]1[NH3+] ZINC000090580315 180008833 /nfs/dbraw/zinc/00/88/33/180008833.db2.gz WBHOXGSNOZTTIZ-PWSUYJOCSA-N 1 0 288.269 2.008 10 0 CEAERO CCC(C)(C)C1CCC(NC(=O)[C@]2(C)COC[C@H]2[NH3+])CC1 ZINC000090585352 180009123 /nfs/dbraw/zinc/00/91/23/180009123.db2.gz UBVAVMBBFSMJLF-YJJGSOMYSA-N 1 0 296.455 2.461 10 0 CEAERO CCCCN(C(=O)[C@@]1(C)COC[C@H]1[NH3+])c1ccccc1 ZINC000090605520 180011268 /nfs/dbraw/zinc/01/12/68/180011268.db2.gz FOONSCUUOZIMJH-ZBFHGGJFSA-N 1 0 276.380 2.184 10 0 CEAERO C[C@]1(CN2CCCCc3ccccc32)COC[C@@H]1[NH3+] ZINC000090621365 180013710 /nfs/dbraw/zinc/01/37/10/180013710.db2.gz ZGBIXWJCEPAWTP-HOTGVXAUSA-N 1 0 260.381 2.193 10 0 CEAERO CCc1cccc(C)c1NC(=O)CSCC1C[NH2+]C1 ZINC000090712259 180028886 /nfs/dbraw/zinc/02/88/86/180028886.db2.gz YZJNWLLMKYZDEC-UHFFFAOYSA-N 1 0 278.421 2.449 10 0 CEAERO CCOC(=O)[C@@](C)([NH3+])CCCCO[C@H](C)C(F)(F)F ZINC000090674339 180021871 /nfs/dbraw/zinc/02/18/71/180021871.db2.gz VNABBYBBEFLORY-KOLCDFICSA-N 1 0 285.306 2.405 10 0 CEAERO CC(C)[NH2+]C[C@@H]1CC[C@@H](CO[C@@H](C)C(F)(F)F)O1 ZINC000090675580 180022455 /nfs/dbraw/zinc/02/24/55/180022455.db2.gz XAZWTUCKJVLPLI-DCAQKATOSA-N 1 0 269.307 2.499 10 0 CEAERO CCC[NH2+][C@](C)(CO)C[C@H](C)O[C@@H](C)C(F)(F)F ZINC000090676012 180022651 /nfs/dbraw/zinc/02/26/51/180022651.db2.gz ABXLZVPDJDLDHL-DCAQKATOSA-N 1 0 271.323 2.483 10 0 CEAERO Cc1ccccc1NC(=O)CN(C)CC[C@@H]1CCCC[NH2+]1 ZINC000090693266 180025311 /nfs/dbraw/zinc/02/53/11/180025311.db2.gz KAOZXKHDMUZPAQ-HNNXBMFYSA-N 1 0 289.423 2.398 10 0 CEAERO COC(=O)c1cc(OCC2([NH3+])CCCCCC2)ccn1 ZINC000090739901 180034792 /nfs/dbraw/zinc/03/47/92/180034792.db2.gz XABBPNTUEJUAOO-UHFFFAOYSA-N 1 0 278.352 2.299 10 0 CEAERO CN(c1cccc(C[NH3+])c1)c1ncncc1Br ZINC000090780622 180038871 /nfs/dbraw/zinc/03/88/71/180038871.db2.gz BGBNNOHEPOXMAP-UHFFFAOYSA-N 1 0 293.168 2.466 10 0 CEAERO CCCOc1cc(N(CC)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ncn1 ZINC000090785136 180040060 /nfs/dbraw/zinc/04/00/60/180040060.db2.gz ORBMAVJUQBYDPM-PBWFPOADSA-N 1 0 290.411 2.375 10 0 CEAERO CCCOc1cc(N[C@H]2CCCCC[C@@H]2[NH3+])ncn1 ZINC000090785190 180040155 /nfs/dbraw/zinc/04/01/55/180040155.db2.gz PYWJOSXSQUYXQD-RYUDHWBXSA-N 1 0 264.373 2.337 10 0 CEAERO CCOc1cc(N[C@]2(C[NH3+])CCC[C@H](C)C2)ncn1 ZINC000090784808 180040249 /nfs/dbraw/zinc/04/02/49/180040249.db2.gz AJXVTDATSRKSMG-SMDDNHRTSA-N 1 0 264.373 2.195 10 0 CEAERO CCOc1ccc(Nc2cc(OC)nc(C)n2)cc1C[NH3+] ZINC000090787495 180040454 /nfs/dbraw/zinc/04/04/54/180040454.db2.gz PZRVHEVJQUPULD-UHFFFAOYSA-N 1 0 288.351 2.395 10 0 CEAERO COc1ncnc(NCC[N@H+](C)C2CCCC2)c1C ZINC000090791411 180043054 /nfs/dbraw/zinc/04/30/54/180043054.db2.gz RDTDJWGVWXSVFG-UHFFFAOYSA-N 1 0 264.373 2.080 10 0 CEAERO CS(=O)(=O)c1ccc(O[C@H]2C[C@H]([NH3+])C23CCCC3)cc1 ZINC000090861983 180047043 /nfs/dbraw/zinc/04/70/43/180047043.db2.gz WWIAFZUPMMUSCC-KBPBESRZSA-N 1 0 295.404 2.129 10 0 CEAERO CCC(CC)[C@H](C)NS(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000104449315 186005908 /nfs/dbraw/zinc/00/59/08/186005908.db2.gz RACJECHQBPMEIM-NSHDSACASA-N 1 0 284.425 2.248 10 0 CEAERO CCCNC(=O)CSc1cccc(C[NH2+]CC)c1 ZINC000090871167 180048977 /nfs/dbraw/zinc/04/89/77/180048977.db2.gz ZWVKWAMLJJZZLA-UHFFFAOYSA-N 1 0 266.410 2.414 10 0 CEAERO C[NH2+]Cc1cccc(SCC(=O)OC(C)C)c1 ZINC000090870685 180049039 /nfs/dbraw/zinc/04/90/39/180049039.db2.gz NURQWZDIXWAMKC-UHFFFAOYSA-N 1 0 253.367 2.450 10 0 CEAERO CCCCNC(=O)CSc1cccc(C[NH2+]C)c1 ZINC000090870659 180049457 /nfs/dbraw/zinc/04/94/57/180049457.db2.gz ZAPKVENLASMVSA-UHFFFAOYSA-N 1 0 266.410 2.414 10 0 CEAERO CC(C)[C@@H](CN(C)C)[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000090874402 180049715 /nfs/dbraw/zinc/04/97/15/180049715.db2.gz IJCWUEZQFGTYTE-LSDHHAIUSA-N 1 0 262.397 2.166 10 0 CEAERO CCC[NH2+]Cc1cccc(SCCC(N)=O)c1 ZINC000090871403 180050114 /nfs/dbraw/zinc/05/01/14/180050114.db2.gz CDJIZFCRTUGQBW-UHFFFAOYSA-N 1 0 252.383 2.154 10 0 CEAERO CC(=O)[C@H]1CCCC[N@@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090874993 180050908 /nfs/dbraw/zinc/05/09/08/180050908.db2.gz LQYRLHNSXQXRFX-LSDHHAIUSA-N 1 0 259.349 2.434 10 0 CEAERO c1ccc2c(c1)C[C@@H](CN1CCC[C@@H]1C[NH2+]C1CC1)O2 ZINC000090875361 180051292 /nfs/dbraw/zinc/05/12/92/180051292.db2.gz SQYNORSSTOOKAO-CVEARBPZSA-N 1 0 272.392 2.207 10 0 CEAERO CC1(C)CN(C[C@@H]2Cc3ccccc3O2)[C@@H](C2CC2)C[NH2+]1 ZINC000090878303 180051833 /nfs/dbraw/zinc/05/18/33/180051833.db2.gz GWYICHBZSFPRGS-JKSUJKDBSA-N 1 0 286.419 2.453 10 0 CEAERO CC(C)(C)[NH2+]Cc1cn(C[C@H]2Cc3ccccc3O2)nn1 ZINC000090878897 180051860 /nfs/dbraw/zinc/05/18/60/180051860.db2.gz CKSUWPGJYFMVIN-CQSZACIVSA-N 1 0 286.379 2.170 10 0 CEAERO CN(CC[C@H]1CCCC[NH2+]1)C[C@@H]1Cc2ccccc2O1 ZINC000090878905 180052021 /nfs/dbraw/zinc/05/20/21/180052021.db2.gz NHUNDBYEODSTGO-CVEARBPZSA-N 1 0 274.408 2.454 10 0 CEAERO CN(C[C@H]1Cc2cc(F)ccc2O1)C1(C[NH3+])CCCC1 ZINC000090879183 180053213 /nfs/dbraw/zinc/05/32/13/180053213.db2.gz JRGBSLSRTQBYAY-CQSZACIVSA-N 1 0 278.371 2.333 10 0 CEAERO C[C@@H]1CCC[C@@H](C[NH3+])N1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893475 180055399 /nfs/dbraw/zinc/05/53/99/180055399.db2.gz NSGCYPMAUIEEKY-UGFHNGPFSA-N 1 0 278.371 2.331 10 0 CEAERO Fc1ccc2c(c1)C[C@@H](CN1CCC[NH2+][C@H](C3CC3)C1)O2 ZINC000090896194 180057102 /nfs/dbraw/zinc/05/71/02/180057102.db2.gz SSMUWSJGAYNKKZ-HOTGVXAUSA-N 1 0 290.382 2.203 10 0 CEAERO CC[C@H](C)[C@@H]1C[NH2+]CCN1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090896142 180057291 /nfs/dbraw/zinc/05/72/91/180057291.db2.gz FCKNCPHAAZAYGB-RCBQFDQVSA-N 1 0 292.398 2.449 10 0 CEAERO COc1cc(C[NH2+]C[C@@H]2Cc3cc(C)ccc3O2)ccn1 ZINC000090897989 180057467 /nfs/dbraw/zinc/05/74/67/180057467.db2.gz KULRKVIEFWZLEF-HNNXBMFYSA-N 1 0 284.359 2.492 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](C[NH2+][C@@H](C)Cn1cccn1)O2 ZINC000090897573 180057545 /nfs/dbraw/zinc/05/75/45/180057545.db2.gz TTXGHRMNFIJQPL-ZFWWWQNUSA-N 1 0 271.364 2.173 10 0 CEAERO Cc1ccc2c(c1)C[C@H](Cn1ccnc1C[NH2+]C1CC1)O2 ZINC000090900421 180058547 /nfs/dbraw/zinc/05/85/47/180058547.db2.gz CRSQSTHJPRMIJN-OAHLLOKOSA-N 1 0 283.375 2.447 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](C[N@H+](C)CC1CC(O)C1)O2 ZINC000090901056 180058956 /nfs/dbraw/zinc/05/89/56/180058956.db2.gz MKJZGEBQPDVTDW-ZALBZXLWSA-N 1 0 261.365 2.001 10 0 CEAERO [NH3+]C[C@@H](c1ccc(Cl)cc1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905402 180060015 /nfs/dbraw/zinc/06/00/15/180060015.db2.gz OYNAGTCPSWVWAK-MJBXVCDLSA-N 1 0 266.772 2.203 10 0 CEAERO CCc1ccccc1[C@@H](C[NH3+])N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905682 180060146 /nfs/dbraw/zinc/06/01/46/180060146.db2.gz ZLESSXWOBQYLTD-IJEWVQPXSA-N 1 0 260.381 2.112 10 0 CEAERO CCN(C)CC[NH2+]C[C@H]1Cc2cc(Cl)ccc2O1 ZINC000090904636 180060401 /nfs/dbraw/zinc/06/04/01/180060401.db2.gz KGILMAUTNZFMLX-CYBMUJFWSA-N 1 0 268.788 2.185 10 0 CEAERO CCc1ccc([C@H](C[NH3+])N2C[C@H]3CC[C@@H](C2)O3)s1 ZINC000090905947 180060784 /nfs/dbraw/zinc/06/07/84/180060784.db2.gz AYZOTHSIRVXPGU-LOWVWBTDSA-N 1 0 266.410 2.174 10 0 CEAERO C[NH2+][C@@H](CN1C[C@H]2CC[C@@H](C1)O2)c1ccc(C)cc1C ZINC000090905977 180060803 /nfs/dbraw/zinc/06/08/03/180060803.db2.gz FOIUEFCPQOYUTN-UXLLHSPISA-N 1 0 274.408 2.427 10 0 CEAERO CCc1ccc([C@@H](C[NH3+])N2C[C@H]3CC[C@@H](C2)O3)s1 ZINC000090905946 180061010 /nfs/dbraw/zinc/06/10/10/180061010.db2.gz AYZOTHSIRVXPGU-NTZNESFSSA-N 1 0 266.410 2.174 10 0 CEAERO Cc1ccc([C@@H](O)CN2C[C@H]3CC[C@@H](C2)O3)c(C)c1 ZINC000090906932 180061257 /nfs/dbraw/zinc/06/12/57/180061257.db2.gz KXYMCKGJFGSKSK-LZWOXQAQSA-N 1 0 261.365 2.200 10 0 CEAERO CCc1ccc([C@@H]([NH3+])CN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090906095 180061435 /nfs/dbraw/zinc/06/14/35/180061435.db2.gz QRDVBODSMWBXJF-XHSDSOJGSA-N 1 0 260.381 2.112 10 0 CEAERO CC[NH2+][C@@H](C)c1sc(N2C[C@H]3CC[C@@H](C2)O3)nc1C ZINC000090908134 180061847 /nfs/dbraw/zinc/06/18/47/180061847.db2.gz LRAVXSRZNSJFLD-ZMLRMANQSA-N 1 0 281.425 2.490 10 0 CEAERO C[C@@H]([NH3+])c1ccc(NC(=O)N2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090909159 180062822 /nfs/dbraw/zinc/06/28/22/180062822.db2.gz XZYPTURICRKWNX-HONMWMINSA-N 1 0 275.352 2.101 10 0 CEAERO Cc1[nH]c(=S)sc1CC(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000104501339 186008688 /nfs/dbraw/zinc/00/86/88/186008688.db2.gz NZAIUDBVEMQXHB-JTQLQIEISA-N 1 0 299.465 2.067 10 0 CEAERO [NH3+]CCc1nc(-c2nc3cc(F)c(F)cc3[nH]2)cs1 ZINC000090934628 180067663 /nfs/dbraw/zinc/06/76/63/180067663.db2.gz LWOUGBLFNRQTOD-UHFFFAOYSA-N 1 0 280.303 2.466 10 0 CEAERO CCN(C(=O)c1csc(CC[NH3+])n1)c1cccc(F)c1 ZINC000090953246 180073211 /nfs/dbraw/zinc/07/32/11/180073211.db2.gz BUFYPDYGACSINM-UHFFFAOYSA-N 1 0 293.367 2.450 10 0 CEAERO COc1ccccc1N(C)Cc1csc(CC[NH3+])n1 ZINC000090958451 180074894 /nfs/dbraw/zinc/07/48/94/180074894.db2.gz UXUIUCVLUKWAMC-UHFFFAOYSA-N 1 0 277.393 2.289 10 0 CEAERO Nc1ccsc1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000090959103 180075257 /nfs/dbraw/zinc/07/52/57/180075257.db2.gz CMWRCEMUBCSITI-UHFFFAOYSA-N 1 0 262.334 2.349 10 0 CEAERO CC(C)(C)C(=O)N1CCC([NH2+]Cc2sccc2N)CC1 ZINC000090960082 180075427 /nfs/dbraw/zinc/07/54/27/180075427.db2.gz ZZRKPVFOUAKNTF-UHFFFAOYSA-N 1 0 295.452 2.457 10 0 CEAERO Nc1ccsc1C[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000090960328 180075710 /nfs/dbraw/zinc/07/57/10/180075710.db2.gz BZQKAXNCGSNJMI-LLVKDONJSA-N 1 0 260.362 2.424 10 0 CEAERO Nc1ccsc1C[NH2+][C@@H](CO)Cc1ccccc1 ZINC000090960693 180076351 /nfs/dbraw/zinc/07/63/51/180076351.db2.gz MMLPOMVKKGFEQA-GFCCVEGCSA-N 1 0 262.378 2.024 10 0 CEAERO NC(=S)CC[N@H+](C[C@H]1Cc2ccccc21)C1CC1 ZINC000090977058 180079016 /nfs/dbraw/zinc/07/90/16/180079016.db2.gz CSZRFPUCJGGNRJ-GFCCVEGCSA-N 1 0 260.406 2.467 10 0 CEAERO CC(C)CN(CCC[NH3+])C(=O)[C@@H]1Cc2ccccc21 ZINC000090982639 180079647 /nfs/dbraw/zinc/07/96/47/180079647.db2.gz PGGZKSNKSIFYOM-OAHLLOKOSA-N 1 0 260.381 2.160 10 0 CEAERO C[C@@H]([NH2+]C[C@@H]1Cc2ccccc21)C(=O)NC(C)(C)C ZINC000090992342 180081634 /nfs/dbraw/zinc/08/16/34/180081634.db2.gz LQIRQALUXJLDOI-YPMHNXCESA-N 1 0 260.381 2.219 10 0 CEAERO CC(C)[NH2+]Cc1cccn1CC(=O)N[C@H](C)C(C)C ZINC000091001141 180083174 /nfs/dbraw/zinc/08/31/74/180083174.db2.gz FUZATCQJGJIKMM-CYBMUJFWSA-N 1 0 265.401 2.147 10 0 CEAERO CC(C)[NH2+]Cc1ccn(CC(=O)N[C@@H](C)C(C)C)c1 ZINC000091003673 180083893 /nfs/dbraw/zinc/08/38/93/180083893.db2.gz IRVYDJIYTSVGOP-ZDUSSCGKSA-N 1 0 265.401 2.147 10 0 CEAERO COc1cccc(Cn2ccnc2C[NH2+]CC(C)C)n1 ZINC000091002911 180083903 /nfs/dbraw/zinc/08/39/03/180083903.db2.gz KRVWGJPCNPWVCN-UHFFFAOYSA-N 1 0 274.368 2.081 10 0 CEAERO C[NH2+]Cc1ccn(CC(=O)Nc2ccc(C)cc2)c1 ZINC000091003043 180084310 /nfs/dbraw/zinc/08/43/10/180084310.db2.gz QFEVGISKBKKKET-UHFFFAOYSA-N 1 0 257.337 2.155 10 0 CEAERO CC[C@H]([NH3+])Cc1ccn(Cc2cccc(OC)n2)c1 ZINC000091006393 180084492 /nfs/dbraw/zinc/08/44/92/180084492.db2.gz RMMYGEZGWVAOFZ-ZDUSSCGKSA-N 1 0 259.353 2.220 10 0 CEAERO COc1cccc([C@H](C)NC(=O)C[NH2+]C(C)(C)C)c1 ZINC000091015691 180086312 /nfs/dbraw/zinc/08/63/12/180086312.db2.gz AODDLQZKZGCICN-NSHDSACASA-N 1 0 264.369 2.261 10 0 CEAERO [NH3+]Cc1cn(CCc2ccccn2)c2ncccc12 ZINC000091018981 180086923 /nfs/dbraw/zinc/08/69/23/180086923.db2.gz UWMPTHJGLMYYTG-UHFFFAOYSA-N 1 0 252.321 2.133 10 0 CEAERO c1[nH]c2ncccc2c1CN1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000091019481 180087682 /nfs/dbraw/zinc/08/76/82/180087682.db2.gz CXRASQLUTUFOSG-LSDHHAIUSA-N 1 0 270.380 2.279 10 0 CEAERO C[C@@H]([NH3+])Cc1cn(CC2CCOCC2)c2ncccc12 ZINC000091021804 180088620 /nfs/dbraw/zinc/08/86/20/180088620.db2.gz CWNUQYMIPVJJDK-GFCCVEGCSA-N 1 0 273.380 2.353 10 0 CEAERO C[C@@H]([NH3+])Cc1cn(CC(F)(F)F)c2ncccc12 ZINC000091021819 180088749 /nfs/dbraw/zinc/08/87/49/180088749.db2.gz COYLRDVURZTEDG-MRVPVSSYSA-N 1 0 257.259 2.488 10 0 CEAERO CCCn1c(C)nnc1-c1csc([C@@H](C)[NH3+])n1 ZINC000090945096 180069434 /nfs/dbraw/zinc/06/94/34/180069434.db2.gz QWYRQADMUWHLPB-SSDOTTSWSA-N 1 0 251.359 2.140 10 0 CEAERO COC(=O)[C@@H]1CCCC[N@@H+]1CCCCCn1cccn1 ZINC000104664026 186011832 /nfs/dbraw/zinc/01/18/32/186011832.db2.gz MJGXULXIMQWPLA-AWEZNQCLSA-N 1 0 279.384 2.081 10 0 CEAERO Fc1cc2nc(C[C@@H]3CSCC[NH2+]3)[nH]c2cc1F ZINC000091128494 180100222 /nfs/dbraw/zinc/10/02/22/180100222.db2.gz SMVFCFKEDUPLPI-SSDOTTSWSA-N 1 0 269.320 2.089 10 0 CEAERO C[C@@H]1CCCC[C@@H]1OC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000091129938 180101083 /nfs/dbraw/zinc/10/10/83/180101083.db2.gz TWDAWXILGPVOKB-UTUOFQBUSA-N 1 0 257.399 2.203 10 0 CEAERO CCCNC(=O)C[C@H](C[NH3+])N(C)Cc1ccccc1Cl ZINC000091317179 180133677 /nfs/dbraw/zinc/13/36/77/180133677.db2.gz PSXXOLFNLHRNFV-CYBMUJFWSA-N 1 0 297.830 2.015 10 0 CEAERO CC(C)(C)NC(=O)C[C@@H](C[NH3+])N1CCC(C(C)(C)C)CC1 ZINC000091321524 180134635 /nfs/dbraw/zinc/13/46/35/180134635.db2.gz XVENYUTZZQUWNY-AWEZNQCLSA-N 1 0 297.487 2.377 10 0 CEAERO C[C@H](O)[C@](C[NH3+])(CC1CCOCC1)c1ccccc1 ZINC000091327852 180135789 /nfs/dbraw/zinc/13/57/89/180135789.db2.gz WHGWWGDOICBFSH-XJKSGUPXSA-N 1 0 263.381 2.081 10 0 CEAERO CCCCOCC[C@@](C[NH3+])(c1ccccc1)[C@@H](C)O ZINC000091327608 180135798 /nfs/dbraw/zinc/13/57/98/180135798.db2.gz NAPGLXGYLAXCEM-ZBFHGGJFSA-N 1 0 265.397 2.471 10 0 CEAERO Cc1ccnc(-n2ncc(C[NH3+])c2C(F)(F)F)c1 ZINC000091338386 180136139 /nfs/dbraw/zinc/13/61/39/180136139.db2.gz MBAAOPGQOSAZNJ-UHFFFAOYSA-N 1 0 256.231 2.053 10 0 CEAERO COc1ccccc1-n1ncc(C[NH3+])c1C(F)F ZINC000091338677 180136171 /nfs/dbraw/zinc/13/61/71/180136171.db2.gz JYXVSNFOPXQEFF-UHFFFAOYSA-N 1 0 253.252 2.277 10 0 CEAERO CCOc1ccccc1[C@@H]([NH3+])CSC[C@@H](C)CO ZINC000091261583 180116208 /nfs/dbraw/zinc/11/62/08/180116208.db2.gz OFWBCAGVBPWNLJ-AAEUAGOBSA-N 1 0 269.410 2.447 10 0 CEAERO C[NH2+]Cc1cc(F)c(SC[C@@H](C)CO)c(F)c1 ZINC000091260035 180116214 /nfs/dbraw/zinc/11/62/14/180116214.db2.gz FJCHUFFBGQCXIL-QMMMGPOBSA-N 1 0 261.337 2.405 10 0 CEAERO COc1cccc([C@@H](C[NH3+])S[C@@H](C)CCO)c1 ZINC000091262191 180116551 /nfs/dbraw/zinc/11/65/51/180116551.db2.gz VYMYZLKPEPXLTH-GXFFZTMASA-N 1 0 255.383 2.199 10 0 CEAERO Cc1nn(C)c(S[C@@H](C)CCO)c1C[NH2+]C(C)C ZINC000091268355 180117026 /nfs/dbraw/zinc/11/70/26/180117026.db2.gz BODBMKFOUQGQSM-JTQLQIEISA-N 1 0 271.430 2.090 10 0 CEAERO C[NH2+][C@@H](CS[C@@H](C)CCO)c1ccc(OC)cc1 ZINC000091269031 180117113 /nfs/dbraw/zinc/11/71/13/180117113.db2.gz CNEHKTKBTJBRLA-FZMZJTMJSA-N 1 0 269.410 2.460 10 0 CEAERO COc1ccc([C@@H]([NH3+])CS[C@@H](C)CCO)cc1 ZINC000091269321 180117186 /nfs/dbraw/zinc/11/71/86/180117186.db2.gz BPMHIBYDVIFUSQ-GWCFXTLKSA-N 1 0 255.383 2.199 10 0 CEAERO CC(C)(C)N1C(=O)CC[C@H]([NH3+])[C@@H]1c1cncn1C1CC1 ZINC000091275546 180119122 /nfs/dbraw/zinc/11/91/22/180119122.db2.gz VTRFWJPVOIIDSM-SMDDNHRTSA-N 1 0 276.384 2.007 10 0 CEAERO CCC[NH2+][C@H]1COc2cc(OCc3cncn3C)ccc21 ZINC000091278471 180121182 /nfs/dbraw/zinc/12/11/82/180121182.db2.gz FNVNZUYUUCCMBB-HNNXBMFYSA-N 1 0 287.363 2.432 10 0 CEAERO CC[C@@H](NCC[C@H]1CSCC[NH2+]1)c1nccs1 ZINC000091292343 180123451 /nfs/dbraw/zinc/12/34/51/180123451.db2.gz YHLADYMMMHYWOX-WDEREUQCSA-N 1 0 271.455 2.279 10 0 CEAERO CCCn1c(C[C@H]2C[NH2+]CCO2)nc2ccc(F)cc21 ZINC000091293352 180124358 /nfs/dbraw/zinc/12/43/58/180124358.db2.gz ULMHEGBOZPJNOI-LBPRGKRZSA-N 1 0 277.343 2.116 10 0 CEAERO CCc1nc(N2CCC[C@@H]([NH+](C)C)C2)sc1C=O ZINC000091449305 180157416 /nfs/dbraw/zinc/15/74/16/180157416.db2.gz DCISWPNHCDDBKQ-SNVBAGLBSA-N 1 0 267.398 2.048 10 0 CEAERO OC1CC([NH2+][C@@H]2CCSc3c(F)cccc32)C1 ZINC000091449509 180157970 /nfs/dbraw/zinc/15/79/70/180157970.db2.gz LDUDXOXDCSCKHS-SHVIVCPWSA-N 1 0 253.342 2.476 10 0 CEAERO CN(CC1CC(O)C1)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000091460934 180161876 /nfs/dbraw/zinc/16/18/76/180161876.db2.gz GQSQVRJYPYMZRI-DBRPNBKGSA-N 1 0 268.788 2.043 10 0 CEAERO C[NH2+]CC[C@@](C)(O)Cc1cc(Cl)ccc1OC ZINC000091465700 180163604 /nfs/dbraw/zinc/16/36/04/180163604.db2.gz PRBYMBKTCCRAHU-CYBMUJFWSA-N 1 0 257.761 2.252 10 0 CEAERO C[C@](O)(CC[NH3+])Cc1ccn(C2CCCCC2)n1 ZINC000091467084 180164521 /nfs/dbraw/zinc/16/45/21/180164521.db2.gz JWVHIAYOXVDYQJ-AWEZNQCLSA-N 1 0 251.374 2.031 10 0 CEAERO CC[NH2+]CC[C@@](C)(O)Cc1c(Cl)c(C)nn1CC ZINC000091468090 180164718 /nfs/dbraw/zinc/16/47/18/180164718.db2.gz CBOSHHMPKRCJPP-CYBMUJFWSA-N 1 0 273.808 2.158 10 0 CEAERO COc1ccc(OC)c([C@](C)(O)CC[NH2+]C(C)C)c1 ZINC000091470107 180164957 /nfs/dbraw/zinc/16/49/57/180164957.db2.gz DBTIZTOTNVLEOC-OAHLLOKOSA-N 1 0 267.369 2.299 10 0 CEAERO Cc1cc([C@@H]([NH2+]CC2CC2)C(N)=O)ccc1Br ZINC000091471546 180165627 /nfs/dbraw/zinc/16/56/27/180165627.db2.gz VANQDIDHSJIEJE-GFCCVEGCSA-N 1 0 297.196 2.284 10 0 CEAERO C[C@H]1CC[C@H](C[NH3+])CN1C(=O)C1C(C)(C)C1(C)C ZINC000091492769 180170421 /nfs/dbraw/zinc/17/04/21/180170421.db2.gz ATLHJCUXRKUORZ-WDEREUQCSA-N 1 0 252.402 2.254 10 0 CEAERO Cc1ncccc1NC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000091496139 180171466 /nfs/dbraw/zinc/17/14/66/180171466.db2.gz VNRAWJWFTDLXPU-ZDUSSCGKSA-N 1 0 255.321 2.071 10 0 CEAERO CC(C)Oc1cccc(C(=O)N[C@H]2CCC[NH2+][C@H]2C)c1 ZINC000091496663 180172290 /nfs/dbraw/zinc/17/22/90/180172290.db2.gz SVADPZMFWOQHJA-WFASDCNBSA-N 1 0 276.380 2.344 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1N1C(=O)CC2(CCCCCC2)C1=O ZINC000091497292 180173213 /nfs/dbraw/zinc/17/32/13/180173213.db2.gz JZRXGMUZZMADDB-QWHCGFSZSA-N 1 0 278.396 2.226 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2N)C1 ZINC000091392506 180144978 /nfs/dbraw/zinc/14/49/78/180144978.db2.gz BQJAEKISFCJTPJ-LLVKDONJSA-N 1 0 281.787 2.088 10 0 CEAERO C[NH+](C)[C@H]1CCCN(Cc2cc(N)ccc2Cl)C1 ZINC000091393854 180145470 /nfs/dbraw/zinc/14/54/70/180145470.db2.gz LORMGUYNMNDOFF-ZDUSSCGKSA-N 1 0 267.804 2.448 10 0 CEAERO Cc1ccccc1C(=O)CN1CCC[C@H]([NH+](C)C)C1 ZINC000091393754 180145649 /nfs/dbraw/zinc/14/56/49/180145649.db2.gz WRQAZQDBVTUNAH-AWEZNQCLSA-N 1 0 260.381 2.204 10 0 CEAERO O=C(NC1CCC(c2ccccc2)CC1)C1C[NH2+]C1 ZINC000091406624 180147805 /nfs/dbraw/zinc/14/78/05/180147805.db2.gz TUHAXNYFSXLAAI-UHFFFAOYSA-N 1 0 258.365 2.048 10 0 CEAERO CCCN(CC(F)(F)F)c1cncc(C[NH2+]CC)n1 ZINC000091419820 180150544 /nfs/dbraw/zinc/15/05/44/180150544.db2.gz ZJFPIEDKYWRUOI-UHFFFAOYSA-N 1 0 276.306 2.365 10 0 CEAERO CC(C)C[NH2+]Cc1cncc(N2CCCSCC2)n1 ZINC000091420979 180150975 /nfs/dbraw/zinc/15/09/75/180150975.db2.gz FLEMMGDFTUYXCP-UHFFFAOYSA-N 1 0 280.441 2.166 10 0 CEAERO COc1ccccc1C1CC([NH2+]CC2CC(O)C2)C1 ZINC000091426173 180152410 /nfs/dbraw/zinc/15/24/10/180152410.db2.gz CVWAMQWPBATFEJ-UHFFFAOYSA-N 1 0 261.365 2.302 10 0 CEAERO CCc1nn(C)c(N[C@@H](C)CCC[NH+](CC)CC)c1N ZINC000091561635 180191998 /nfs/dbraw/zinc/19/19/98/180191998.db2.gz MZBSRDOMOJVFRM-LBPRGKRZSA-N 1 0 281.448 2.487 10 0 CEAERO CCn1nccc1[C@@H](O)C(C)(C)[NH+]1CCCCC1 ZINC000091563944 180192998 /nfs/dbraw/zinc/19/29/98/180192998.db2.gz KZNVUQAJQMWDAH-CYBMUJFWSA-N 1 0 251.374 2.201 10 0 CEAERO CCn1cc([C@H](N)C(C)(C)[NH+]2CCCCC2)cn1 ZINC000091564601 180193285 /nfs/dbraw/zinc/19/32/85/180193285.db2.gz NBQRADZHBUSKHA-ZDUSSCGKSA-N 1 0 250.390 2.167 10 0 CEAERO CCn1ccnc1[C@@H](N)C(C)(C)[NH+]1CCCCC1 ZINC000091564578 180193326 /nfs/dbraw/zinc/19/33/26/180193326.db2.gz BNALLLPEIDTKCF-GFCCVEGCSA-N 1 0 250.390 2.167 10 0 CEAERO CCn1ccnc1[C@H](N)C(C)(C)[NH+]1CCCCC1 ZINC000091564577 180193712 /nfs/dbraw/zinc/19/37/12/180193712.db2.gz BNALLLPEIDTKCF-LBPRGKRZSA-N 1 0 250.390 2.167 10 0 CEAERO C[C@@H](NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1cccnc1 ZINC000105087731 186041343 /nfs/dbraw/zinc/04/13/43/186041343.db2.gz XQABPEMRGHKAPV-UKRRQHHQSA-N 1 0 288.395 2.022 10 0 CEAERO Cc1ccc([C@@H]([NH3+])C(C)(C)N2CCOCC2)c(C)c1 ZINC000091566063 180194258 /nfs/dbraw/zinc/19/42/58/180194258.db2.gz QKKZUABTZYTIBE-OAHLLOKOSA-N 1 0 262.397 2.414 10 0 CEAERO CC(C)n1ncnc1C[C@@H](N)C(C)(C)[NH+]1CCCCCC1 ZINC000091568090 180194591 /nfs/dbraw/zinc/19/45/91/180194591.db2.gz URYYKDBACHBJNB-CQSZACIVSA-N 1 0 293.459 2.383 10 0 CEAERO CC(C)([C@@H](N)c1cnccc1N)[NH+]1CCCCCC1 ZINC000091567876 180194857 /nfs/dbraw/zinc/19/48/57/180194857.db2.gz XFXQNGWYVREEPW-AWEZNQCLSA-N 1 0 262.401 2.318 10 0 CEAERO CCn1nc(C)cc1CC(=O)[C@@](C)(CC)[NH+](C)C ZINC000091568851 180195014 /nfs/dbraw/zinc/19/50/14/180195014.db2.gz JKDROGZUWTURRY-CQSZACIVSA-N 1 0 251.374 2.053 10 0 CEAERO CCC[NH2+][C@H](Cc1ccnc(N)c1)[C@@](C)(CC)N(C)C ZINC000091571753 180196094 /nfs/dbraw/zinc/19/60/94/180196094.db2.gz QIIRGBCTOGAUQA-GDBMZVCRSA-N 1 0 278.444 2.305 10 0 CEAERO CCn1cc(C[C@@H](N)[C@@](C)(CC)[NH+](CC)CC)cn1 ZINC000091573693 180196451 /nfs/dbraw/zinc/19/64/51/180196451.db2.gz JPXQKTCEKVCDDM-HUUCEWRRSA-N 1 0 266.433 2.283 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@H](N)Cc1cccnc1N ZINC000091573721 180196628 /nfs/dbraw/zinc/19/66/28/180196628.db2.gz KTATWMONCGNDLY-UKRRQHHQSA-N 1 0 264.417 2.044 10 0 CEAERO CC[NH+](CC)CCCNc1c(N)c(C(C)C)nn1C ZINC000091581812 180198723 /nfs/dbraw/zinc/19/87/23/180198723.db2.gz CDAYFRNWFFLRGB-UHFFFAOYSA-N 1 0 267.421 2.270 10 0 CEAERO CC(C)c1nn(C)c(NC[C@H]2CC[N@@H+](C(C)C)C2)c1N ZINC000091582442 180199093 /nfs/dbraw/zinc/19/90/93/180199093.db2.gz SUUBDQDHUSOELT-GFCCVEGCSA-N 1 0 279.432 2.268 10 0 CEAERO CCC[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1=O)c1cccs1 ZINC000105101721 186042514 /nfs/dbraw/zinc/04/25/14/186042514.db2.gz BOPPVENCMAVKGK-NWDGAFQWSA-N 1 0 292.404 2.469 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@@H](NC)c1cnccn1 ZINC000091599178 180202051 /nfs/dbraw/zinc/20/20/51/180202051.db2.gz ISSCSNQPDVWGKT-UONOGXRCSA-N 1 0 250.390 2.248 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@H](N)Cc1ncnn1C(C)C ZINC000091598921 180202316 /nfs/dbraw/zinc/20/23/16/180202316.db2.gz JSGFJVAVFDOUSQ-UKRRQHHQSA-N 1 0 281.448 2.239 10 0 CEAERO CC[C@@](C)([C@@H](Cc1ccccn1)[NH2+]C)N1CCCC1 ZINC000091606057 180204448 /nfs/dbraw/zinc/20/44/48/180204448.db2.gz LXNADALMEJNUMT-CVEARBPZSA-N 1 0 261.413 2.477 10 0 CEAERO CCn1cc(C[C@@H](N)[C@](C)(CC)[NH+]2CCCCC2)cn1 ZINC000091609121 180205480 /nfs/dbraw/zinc/20/54/80/180205480.db2.gz KIRREZNGRQULLP-CVEARBPZSA-N 1 0 278.444 2.427 10 0 CEAERO CC[C@@](C)([C@@H]([NH2+]C)c1cnccc1C)N1CCOCC1 ZINC000091612603 180207360 /nfs/dbraw/zinc/20/73/60/180207360.db2.gz IRFVFBCRHZYPMD-HOTGVXAUSA-N 1 0 277.412 2.151 10 0 CEAERO CC[C@](C)([C@H]([NH3+])c1cccc(F)c1F)N1CCOCC1 ZINC000091612106 180207379 /nfs/dbraw/zinc/20/73/79/180207379.db2.gz PFDJBJGCQGDJBM-HUUCEWRRSA-N 1 0 284.350 2.466 10 0 CEAERO CC[C@](C)([C@H]([NH2+]C)c1ccccc1)N1CCOCC1 ZINC000091612442 180207502 /nfs/dbraw/zinc/20/75/02/180207502.db2.gz ODNQHWFSGXBUSJ-HZPDHXFCSA-N 1 0 262.397 2.448 10 0 CEAERO CC[NH+](CC)C(CC)(CC)[C@H](O)Cc1cnn(C)c1 ZINC000091615683 180207762 /nfs/dbraw/zinc/20/77/62/180207762.db2.gz KIEWLFGQYIXFRR-CQSZACIVSA-N 1 0 267.417 2.224 10 0 CEAERO CC[NH+](CC)C(CC)(CC)[C@@H](O)CCCS(C)(=O)=O ZINC000091615534 180207765 /nfs/dbraw/zinc/20/77/65/180207765.db2.gz HVHKSNKXISKTAJ-ZDUSSCGKSA-N 1 0 293.473 2.073 10 0 CEAERO CC[NH+](CC)C(CC)(CC)[C@@H](N)Cc1cnn(C)c1 ZINC000091615862 180208115 /nfs/dbraw/zinc/20/81/15/180208115.db2.gz RWLDFYYNFRGBGT-AWEZNQCLSA-N 1 0 266.433 2.191 10 0 CEAERO CC(C)n1c2cccc(F)c2nc1C[C@@](C)(O)C[NH3+] ZINC000091504780 180176090 /nfs/dbraw/zinc/17/60/90/180176090.db2.gz BCMXJPMMBGNKET-CQSZACIVSA-N 1 0 265.332 2.009 10 0 CEAERO Cc1nc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])ccc1Br ZINC000091507022 180176160 /nfs/dbraw/zinc/17/61/60/180176160.db2.gz URFAKEDHLZVJRT-WPRPVWTQSA-N 1 0 298.184 2.218 10 0 CEAERO CC(C)(C)[NH2+]CC[C@@](C)(O)c1ccc2c(c1)OCCO2 ZINC000091520601 180177929 /nfs/dbraw/zinc/17/79/29/180177929.db2.gz MBLBXMPAMUKUIJ-MRXNPFEDSA-N 1 0 279.380 2.444 10 0 CEAERO CC(C)C1CCC(c2noc(C[C@](C)(O)C[NH3+])n2)CC1 ZINC000091524038 180178177 /nfs/dbraw/zinc/17/81/77/180178177.db2.gz QAWSDKYSXGAYIN-QOZQQMKHSA-N 1 0 281.400 2.252 10 0 CEAERO CC[C@H](C)n1ccc(C[C@@H]([NH2+]C)C(C)(C)N(C)C)n1 ZINC000091528614 180180664 /nfs/dbraw/zinc/18/06/64/180180664.db2.gz CIKQGZPYNGAORK-GXTWGEPZSA-N 1 0 266.433 2.325 10 0 CEAERO CC[NH+](CC)C(C)(C)[C@H](NC)c1cnccc1N ZINC000091530762 180180743 /nfs/dbraw/zinc/18/07/43/180180743.db2.gz PGCZBIJBTSOXEQ-CYBMUJFWSA-N 1 0 250.390 2.045 10 0 CEAERO CC[NH+](CC)C(C)(C)[C@@H](N)c1cc(Cl)cnc1N ZINC000091530303 180180753 /nfs/dbraw/zinc/18/07/53/180180753.db2.gz RWQXBUIBNQGTGM-NSHDSACASA-N 1 0 270.808 2.437 10 0 CEAERO CCn1nc(C)cc1C[C@@H](O)C(C)(C)[NH+](CC)CC ZINC000091529889 180180790 /nfs/dbraw/zinc/18/07/90/180180790.db2.gz AANQKYONKFNNQG-CQSZACIVSA-N 1 0 267.417 2.235 10 0 CEAERO C[NH2+][C@@H](c1ccc2c(c1)OCCCO2)C(C)(C)N(C)C ZINC000091528853 180180793 /nfs/dbraw/zinc/18/07/93/180180793.db2.gz FNVZADKGEHLXNW-HNNXBMFYSA-N 1 0 278.396 2.449 10 0 CEAERO CC(C)([C@H]([NH3+])Cc1ccncc1Cl)N1CCCC1 ZINC000091533732 180181647 /nfs/dbraw/zinc/18/16/47/180181647.db2.gz PYIWJJUMBMKYLK-CYBMUJFWSA-N 1 0 267.804 2.479 10 0 CEAERO CCCN[C@H](c1nccn1C)C(C)(C)[NH+]1CCCC1 ZINC000091536231 180182142 /nfs/dbraw/zinc/18/21/42/180182142.db2.gz RUNTZHMXVZSEGJ-CYBMUJFWSA-N 1 0 264.417 2.335 10 0 CEAERO CC[NH2+][C@H](Cc1ccnc(N)c1)C(C)(C)N1CCCC1 ZINC000091535159 180182301 /nfs/dbraw/zinc/18/23/01/180182301.db2.gz LJMGQDXDGAIXMK-CQSZACIVSA-N 1 0 276.428 2.059 10 0 CEAERO CC[NH2+][C@H](Cc1ccncc1)C(C)(C)N1CCCC1 ZINC000091535866 180182375 /nfs/dbraw/zinc/18/23/75/180182375.db2.gz XGHBMFRMWSHYSH-OAHLLOKOSA-N 1 0 261.413 2.477 10 0 CEAERO CCC(=O)Nc1cccc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC000091539598 180182877 /nfs/dbraw/zinc/18/28/77/180182877.db2.gz WZHHWGNNKCBZNW-WDEREUQCSA-N 1 0 275.352 2.101 10 0 CEAERO COC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)c1 ZINC000091543550 180184970 /nfs/dbraw/zinc/18/49/70/180184970.db2.gz SNMNXZGFMLVJHE-PSASIEDQSA-N 1 0 296.754 2.193 10 0 CEAERO CCC(=O)Nc1cccc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)c1C ZINC000091545847 180186689 /nfs/dbraw/zinc/18/66/89/180186689.db2.gz PDTKBGPNKJWTNY-VXGBXAGGSA-N 1 0 289.379 2.409 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCc2ccccc2C(F)(F)F)C1 ZINC000091549122 180188374 /nfs/dbraw/zinc/18/83/74/180188374.db2.gz DHMYUHQZNQHKSN-MWLCHTKSSA-N 1 0 286.297 2.449 10 0 CEAERO CCC(CC)([C@H](NC)c1cnccn1)[NH+]1CCCC1 ZINC000091635090 180211007 /nfs/dbraw/zinc/21/10/07/180211007.db2.gz MTRLSHHUFYTJOR-CQSZACIVSA-N 1 0 262.401 2.392 10 0 CEAERO CC[NH2+][C@H](Cc1ccccn1)C1(N(C)C)CCCC1 ZINC000091637926 180212387 /nfs/dbraw/zinc/21/23/87/180212387.db2.gz WNLJJYPXHUTQCE-OAHLLOKOSA-N 1 0 261.413 2.477 10 0 CEAERO CC[NH+](CC)C1([C@@H](O)Cc2cccnc2N)CCCC1 ZINC000091638949 180212436 /nfs/dbraw/zinc/21/24/36/180212436.db2.gz WWMVEFXAOUNQCP-AWEZNQCLSA-N 1 0 277.412 2.222 10 0 CEAERO CCn1cc(C[C@@H](O)C2([NH+](CC)CC)CCCC2)cn1 ZINC000091638815 180212681 /nfs/dbraw/zinc/21/26/81/180212681.db2.gz XIMRRTZFWVQNCP-OAHLLOKOSA-N 1 0 279.428 2.461 10 0 CEAERO Cc1cc(C[C@@H](N)C2([NH+]3CCCCC3)CCCC2)n(C)n1 ZINC000091641966 180212907 /nfs/dbraw/zinc/21/29/07/180212907.db2.gz RDPLAEWKBYAYIL-MRXNPFEDSA-N 1 0 290.455 2.397 10 0 CEAERO Nc1ccncc1[C@@H](O)C1([NH+]2CCCCC2)CCCC1 ZINC000091641779 180213004 /nfs/dbraw/zinc/21/30/04/180213004.db2.gz JKZVIUVHUPATEO-OAHLLOKOSA-N 1 0 275.396 2.496 10 0 CEAERO CCn1nccc1[C@@H](O)C1([NH+]2CCCC2)CCCC1 ZINC000091640161 180213077 /nfs/dbraw/zinc/21/30/77/180213077.db2.gz WUPVUHWDCUDFTP-CQSZACIVSA-N 1 0 263.385 2.345 10 0 CEAERO CCn1ncnc1C[C@H](O)C1([NH+]2CCCCC2)CCCC1 ZINC000091641545 180213487 /nfs/dbraw/zinc/21/34/87/180213487.db2.gz OADBKZLZRZUPIN-AWEZNQCLSA-N 1 0 292.427 2.000 10 0 CEAERO CN[C@@H](c1cccnc1N)C1([NH+]2CCCC2)CCCC1 ZINC000091641085 180213553 /nfs/dbraw/zinc/21/35/53/180213553.db2.gz LFAYQVIIYWDZLF-AWEZNQCLSA-N 1 0 274.412 2.333 10 0 CEAERO O[C@H](Cc1ccsc1)C1([NH+]2CCOCC2)CCCC1 ZINC000091642673 180214280 /nfs/dbraw/zinc/21/42/80/180214280.db2.gz KVERLWWYPUTERQ-CQSZACIVSA-N 1 0 281.421 2.297 10 0 CEAERO C[NH+](C)C1([C@@H](N)c2cncc(F)c2)CCCCC1 ZINC000091647277 180215392 /nfs/dbraw/zinc/21/53/92/180215392.db2.gz MFPMAPUDHVIKKQ-ZDUSSCGKSA-N 1 0 251.349 2.485 10 0 CEAERO CC1CCC([C@H](N)C2CCOCC2)([NH+](C)C)CC1 ZINC000091648703 180216487 /nfs/dbraw/zinc/21/64/87/180216487.db2.gz MDLSGJVYPLSKRS-HNFVBEJKSA-N 1 0 254.418 2.251 10 0 CEAERO C[NH2+][C@H](Cc1cnccc1N)[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC000091652617 180217093 /nfs/dbraw/zinc/21/70/93/180217093.db2.gz NTWKJIRFGPJXHY-XYPHTWIQSA-N 1 0 290.455 2.305 10 0 CEAERO C[NH2+][C@H](c1cnn(C)c1)C1(N(C)C)CCCCCC1 ZINC000091654516 180217185 /nfs/dbraw/zinc/21/71/85/180217185.db2.gz WAAYYKGXIUPXMG-CQSZACIVSA-N 1 0 264.417 2.335 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCCc2cccnc21)C(=O)N1CCCCC1 ZINC000091661169 180218306 /nfs/dbraw/zinc/21/83/06/180218306.db2.gz YYWLSDDKPFZQOO-DZGCQCFKSA-N 1 0 287.407 2.450 10 0 CEAERO Cc1cnc(Cl)nc1NC[C@H]1CCCC[N@H+]1C ZINC000091658755 180219002 /nfs/dbraw/zinc/21/90/02/180219002.db2.gz CHENRTJXZVDORO-SNVBAGLBSA-N 1 0 254.765 2.335 10 0 CEAERO COc1ccc(CCC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000091714085 180231506 /nfs/dbraw/zinc/23/15/06/180231506.db2.gz SHDGXIKTBKYOKJ-PBHICJAKSA-N 1 0 289.375 2.060 10 0 CEAERO CC[NH+](CC)CC[C@H](O)c1cc(Cl)cnc1N ZINC000091714326 180231759 /nfs/dbraw/zinc/23/17/59/180231759.db2.gz VXLJARKKBCFDGK-NSHDSACASA-N 1 0 257.765 2.083 10 0 CEAERO C[NH2+][C@@H](Cc1c(C)cc(C)cc1C)[C@@H]1CN(C)CCO1 ZINC000091717882 180232152 /nfs/dbraw/zinc/23/21/52/180232152.db2.gz ZEKXVCAMCAXGNM-IRXDYDNUSA-N 1 0 276.424 2.073 10 0 CEAERO C[NH2+][C@H](c1cc(C)c(C)cc1C)[C@@H]1CN(C)CCO1 ZINC000091717508 180232978 /nfs/dbraw/zinc/23/29/78/180232978.db2.gz IZMQZPBQTASTQP-JKSUJKDBSA-N 1 0 262.397 2.203 10 0 CEAERO CC[NH2+][C@@H](c1csc(C)c1)[C@H]1CN(C)CCO1 ZINC000091718812 180233218 /nfs/dbraw/zinc/23/32/18/180233218.db2.gz XECCIUAVKLJUBK-OLZOCXBDSA-N 1 0 254.399 2.038 10 0 CEAERO CC[NH2+][C@@H](Cc1cc(Cl)ccc1OC)CN(C)C ZINC000091719734 180234238 /nfs/dbraw/zinc/23/42/38/180234238.db2.gz GLRMKRCWSGQPTL-ZDUSSCGKSA-N 1 0 270.804 2.431 10 0 CEAERO CCC[NH2+][C@@H](c1ccc(OC)cc1)[C@H]1CN(C)CCO1 ZINC000091719256 180234378 /nfs/dbraw/zinc/23/43/78/180234378.db2.gz XTYKEKNSFOURFK-CVEARBPZSA-N 1 0 278.396 2.067 10 0 CEAERO CCC[NH2+][C@@H](Cc1cccc(C)c1)[C@@H]1CN(C)CCO1 ZINC000091719242 180234488 /nfs/dbraw/zinc/23/44/88/180234488.db2.gz DYYYEMLMCPVFTQ-IRXDYDNUSA-N 1 0 276.424 2.236 10 0 CEAERO CCC[NH2+][C@H](Cc1c(Cl)c(CC)nn1C)CN(C)C ZINC000091719965 180235035 /nfs/dbraw/zinc/23/50/35/180235035.db2.gz XCCVAIICXISREY-LLVKDONJSA-N 1 0 286.851 2.108 10 0 CEAERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1ccc(F)c(Cl)c1 ZINC000624235806 350239446 /nfs/dbraw/zinc/23/94/46/350239446.db2.gz PRGXRTREJVMIKY-HJIKLVIJSA-N 1 0 273.735 2.280 10 0 CEAERO C[NH2+][C@H](CCC(C)(C)C)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721291 180237414 /nfs/dbraw/zinc/23/74/14/180237414.db2.gz ZTCFZNOKIRZQAI-MGPQQGTHSA-N 1 0 254.418 2.264 10 0 CEAERO CCC[NH2+][C@H](CC1CCOCC1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091722109 180239696 /nfs/dbraw/zinc/23/96/96/180239696.db2.gz SACBYFHZWWYSOE-ZACQAIPSSA-N 1 0 296.455 2.035 10 0 CEAERO CCC[C@@H](CC)NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105202380 186045891 /nfs/dbraw/zinc/04/58/91/186045891.db2.gz KKPPCHABWIWEEP-ZIAGYGMSSA-N 1 0 267.417 2.445 10 0 CEAERO CC(C)c1ccc(CN2C[C@H]3C[NH2+]CCN3C2=O)cc1 ZINC000091750963 180246137 /nfs/dbraw/zinc/24/61/37/180246137.db2.gz QOWYKIYYMXTGTQ-OAHLLOKOSA-N 1 0 273.380 2.019 10 0 CEAERO CCCN(C(=O)c1ccc(CC)o1)[C@@H]1CCC[NH2+]C1 ZINC000091759730 180247478 /nfs/dbraw/zinc/24/74/78/180247478.db2.gz HJRVUPUKSRFLOA-GFCCVEGCSA-N 1 0 264.369 2.446 10 0 CEAERO CC[NH2+][C@@H](C)c1cccn1CC(=O)NC1CCCC1 ZINC000091801944 180259043 /nfs/dbraw/zinc/25/90/43/180259043.db2.gz HNDCIEXAJVAROU-LBPRGKRZSA-N 1 0 263.385 2.217 10 0 CEAERO CCC[NH2+]C[C@H](C)Cc1c(C)nc(CN(C)C)nc1C ZINC000091723813 180241413 /nfs/dbraw/zinc/24/14/13/180241413.db2.gz PXNOQDXVPZPVPJ-GFCCVEGCSA-N 1 0 278.444 2.333 10 0 CEAERO Cc1nc(CN(C)C)nc(C)c1C[C@@H](C)C[NH2+]C(C)C ZINC000091723815 180241928 /nfs/dbraw/zinc/24/19/28/180241928.db2.gz WFYLRFPBSLRHSE-GFCCVEGCSA-N 1 0 278.444 2.332 10 0 CEAERO CCCC1CCC([NH2+]C[C@H]2CN(C)CCO2)CC1 ZINC000105471918 186059246 /nfs/dbraw/zinc/05/92/46/186059246.db2.gz CGIJVGJZCQLURC-NRXISQOPSA-N 1 0 254.418 2.266 10 0 CEAERO CCN(C(=O)[C@@H](OC)c1ccccc1)C1CCC([NH3+])CC1 ZINC000091850426 180272472 /nfs/dbraw/zinc/27/24/72/180272472.db2.gz LVSSMUYQRVJNDE-GPANFISMSA-N 1 0 290.407 2.493 10 0 CEAERO CCOc1cc(N(CC)C2CCC([NH3+])CC2)nc(C)n1 ZINC000091851349 180273253 /nfs/dbraw/zinc/27/32/53/180273253.db2.gz JCDPFCUQCCUJGP-UHFFFAOYSA-N 1 0 278.400 2.280 10 0 CEAERO Cc1nc(C[N@@H+](C)C2CCC3(CC2)OCCO3)oc1C ZINC000091853612 180273676 /nfs/dbraw/zinc/27/36/76/180273676.db2.gz SYFGCEWAYWMYPM-UHFFFAOYSA-N 1 0 280.368 2.409 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)c2ccc(C)nc2C)CC1 ZINC000091854482 180274472 /nfs/dbraw/zinc/27/44/72/180274472.db2.gz IQKNNBSYEFLUEB-UHFFFAOYSA-N 1 0 275.396 2.301 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)[C@@H](OC)c2ccccc2)CC1 ZINC000091854523 180274780 /nfs/dbraw/zinc/27/47/80/180274780.db2.gz SALOISBQAVPGPK-GPANFISMSA-N 1 0 290.407 2.363 10 0 CEAERO CCC[NH2+][C@@H](C)c1cccn1CCC(=O)NC(C)C ZINC000091802410 180260023 /nfs/dbraw/zinc/26/00/23/180260023.db2.gz MEFFQAJSFDHMLN-ZDUSSCGKSA-N 1 0 265.401 2.463 10 0 CEAERO CCC[C@H](C)NC(=O)Cn1ccc([C@@H](C)[NH2+]CC)c1 ZINC000091805642 180260933 /nfs/dbraw/zinc/26/09/33/180260933.db2.gz RKUJZUCIRZDIDA-QWHCGFSZSA-N 1 0 265.401 2.463 10 0 CEAERO CCC[C@@H]([NH2+]C)c1ccn(CC(=O)NCC(F)(F)F)c1 ZINC000091822253 180263742 /nfs/dbraw/zinc/26/37/42/180263742.db2.gz GYMLMMXAJLTNMZ-LLVKDONJSA-N 1 0 291.317 2.227 10 0 CEAERO CCCCNC(=O)Cn1ccc([C@H]([NH3+])CCC)c1 ZINC000091820970 180263818 /nfs/dbraw/zinc/26/38/18/180263818.db2.gz WSUUOMVVPMOEPN-CYBMUJFWSA-N 1 0 251.374 2.204 10 0 CEAERO CCC[NH2+][C@H](CCC)c1ccn(CCS(C)(=O)=O)c1 ZINC000091823716 180264146 /nfs/dbraw/zinc/26/41/46/180264146.db2.gz XQCBKMALFOCAAU-CQSZACIVSA-N 1 0 286.441 2.374 10 0 CEAERO CCCNC(=O)Cn1ccc([C@@H]([NH2+]CC)C(C)C)c1 ZINC000091827415 180265194 /nfs/dbraw/zinc/26/51/94/180265194.db2.gz BMVOEONJFKSUFP-HNNXBMFYSA-N 1 0 265.401 2.321 10 0 CEAERO CCN(C(=O)c1cccs1)C1CCC([NH3+])CC1 ZINC000091850381 180271883 /nfs/dbraw/zinc/27/18/83/180271883.db2.gz URPLWQHYXJZSRG-UHFFFAOYSA-N 1 0 252.383 2.480 10 0 CEAERO CCN(C(=O)[C@@H]1Cc2ccccc21)C1CCC([NH3+])CC1 ZINC000091850178 180271924 /nfs/dbraw/zinc/27/19/24/180271924.db2.gz KVTKKCBWIODZDB-ZBCRRDGASA-N 1 0 272.392 2.445 10 0 CEAERO CCn1cncc1[C@H](O)[C@@]1(C[NH3+])CCCc2ccccc21 ZINC000091926164 180287546 /nfs/dbraw/zinc/28/75/46/180287546.db2.gz POMMJZBAZYRXIS-DLBZAZTESA-N 1 0 285.391 2.169 10 0 CEAERO [NH3+]C[C@@]1([C@H](O)c2cncn2C2CC2)CCc2ccccc21 ZINC000091926582 180287654 /nfs/dbraw/zinc/28/76/54/180287654.db2.gz JXEOMERSFGNWPC-SJORKVTESA-N 1 0 283.375 2.094 10 0 CEAERO [NH3+][C@H](Cc1c[nH]cn1)c1nc2ccc(F)cc2s1 ZINC000091939599 180289387 /nfs/dbraw/zinc/28/93/87/180289387.db2.gz CMRWMGWKHBVUER-SECBINFHSA-N 1 0 262.313 2.401 10 0 CEAERO CC[NH2+][C@H](C)c1ccccc1NC(=O)N1CCOCC1 ZINC000091970159 180294871 /nfs/dbraw/zinc/29/48/71/180294871.db2.gz GZKPMEPCKDGSBW-GFCCVEGCSA-N 1 0 277.368 2.221 10 0 CEAERO CCN(C(=O)N1CCCCC1)[C@@H]1CCC[C@H]1C[NH3+] ZINC000091969543 180294476 /nfs/dbraw/zinc/29/44/76/180294476.db2.gz AWNVLEMFAFTQRC-QWHCGFSZSA-N 1 0 253.390 2.042 10 0 CEAERO O=C(N1CCC[C@@H]1[C@H]1CCC[NH2+]C1)N1CCCCC1 ZINC000091969187 180294528 /nfs/dbraw/zinc/29/45/28/180294528.db2.gz HCJDBVUFHKSSOI-UONOGXRCSA-N 1 0 265.401 2.056 10 0 CEAERO CCCN(C(=O)N1CCOCC1)C1(C[NH3+])CCCCCC1 ZINC000091970140 180294906 /nfs/dbraw/zinc/29/49/06/180294906.db2.gz GAWCRHCTIBCEEH-UHFFFAOYSA-N 1 0 297.443 2.202 10 0 CEAERO CCCNC(=O)N(C)C1CCC([NH2+]CCC)CC1 ZINC000091869807 180277385 /nfs/dbraw/zinc/27/73/85/180277385.db2.gz FYFHQZUDHNRYOY-UHFFFAOYSA-N 1 0 255.406 2.349 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)c2csc(C)n2)CC1 ZINC000091872225 180277885 /nfs/dbraw/zinc/27/78/85/180277885.db2.gz KFIJJIJXRGWIED-UHFFFAOYSA-N 1 0 267.398 2.054 10 0 CEAERO C[NH2+]C1CCC(N(C)c2ccc(C(N)=O)cc2Cl)CC1 ZINC000091873690 180278820 /nfs/dbraw/zinc/27/88/20/180278820.db2.gz KEUYDNAYJFZZCV-UHFFFAOYSA-N 1 0 295.814 2.406 10 0 CEAERO Cc1ccc([C@@](C)(O)C2(C[NH3+])CCOCC2)cc1C ZINC000091906889 180284069 /nfs/dbraw/zinc/28/40/69/180284069.db2.gz VOISUBCZSJOEJO-OAHLLOKOSA-N 1 0 263.381 2.266 10 0 CEAERO C[C@@](O)(c1cccc(Cl)c1)C1(C[NH3+])CCOCC1 ZINC000091905734 180284072 /nfs/dbraw/zinc/28/40/72/180284072.db2.gz BVPBBUYUBDMAIG-CYBMUJFWSA-N 1 0 269.772 2.303 10 0 CEAERO CN(C(=O)N1CCCCC1)[C@H]1CCCC[C@H]1C[NH3+] ZINC000091969548 180294744 /nfs/dbraw/zinc/29/47/44/180294744.db2.gz QNEMSZSZLICENG-STQMWFEESA-N 1 0 253.390 2.042 10 0 CEAERO COc1cccc([C@H](O)C2(C[NH3+])Cc3ccccc3C2)c1 ZINC000091908718 180284621 /nfs/dbraw/zinc/28/46/21/180284621.db2.gz OLADYWVRCGOCBY-KRWDZBQOSA-N 1 0 283.371 2.473 10 0 CEAERO Cc1ccc([C@@H](O)[C@@]2(C[NH3+])CCc3ccccc32)o1 ZINC000091909170 180284700 /nfs/dbraw/zinc/28/47/00/180284700.db2.gz NYTLNAAUUXPDPF-HZPDHXFCSA-N 1 0 257.333 2.464 10 0 CEAERO CCOc1cc2c(cc1[C@H](O)C(C)(C)C[NH3+])O[C@H](C)C2 ZINC000091909259 180284790 /nfs/dbraw/zinc/28/47/90/180284790.db2.gz CSHCIPUTICVASO-BMIGLBTASA-N 1 0 279.380 2.427 10 0 CEAERO CCC(CC)[C@@H](O)[C@@]1(C[NH3+])CCOc2ccccc21 ZINC000091911266 180285183 /nfs/dbraw/zinc/28/51/83/180285183.db2.gz NETSWHVAHOWGME-HZPDHXFCSA-N 1 0 263.381 2.463 10 0 CEAERO [NH3+]C[C@@]1([C@@H](O)C2CCCC2)COc2ccccc2C1 ZINC000091913249 180285232 /nfs/dbraw/zinc/28/52/32/180285232.db2.gz VUYXQYVGRSBZGE-JKSUJKDBSA-N 1 0 261.365 2.118 10 0 CEAERO [NH3+]C[C@@]1([C@@H](O)c2cccc(C(F)(F)F)c2)CCOC1 ZINC000091911863 180285283 /nfs/dbraw/zinc/28/52/83/180285283.db2.gz HATARTIGONQCIR-RYUDHWBXSA-N 1 0 275.270 2.104 10 0 CEAERO C[C@@H]1CC[C@@](O)([C@@]2(C[NH3+])COc3ccccc3C2)C1 ZINC000091919887 180286868 /nfs/dbraw/zinc/28/68/68/180286868.db2.gz LNPKAGHSWHJVIC-KCXAZCMYSA-N 1 0 261.365 2.118 10 0 CEAERO CCC[C@@H](C(=O)Nc1ccc2c(c1)COC2)[NH+](C)C ZINC000092050277 180311975 /nfs/dbraw/zinc/31/19/75/180311975.db2.gz DDFLXGZQFWKFDL-AWEZNQCLSA-N 1 0 262.353 2.386 10 0 CEAERO CCN1CCO[C@@H](COc2ccc3c(c2)CCC[C@@H]3[NH3+])C1 ZINC000092051232 180312772 /nfs/dbraw/zinc/31/27/72/180312772.db2.gz JUKBVBJBCFOWCR-WBVHZDCISA-N 1 0 290.407 2.122 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H](C)c2sc(C)nc2C)C1 ZINC000092052278 180313092 /nfs/dbraw/zinc/31/30/92/180313092.db2.gz IMDVGGKVFLWMBM-GXFFZTMASA-N 1 0 283.441 2.131 10 0 CEAERO CCN1CCO[C@@H](COc2cc(C)ccc2[C@H](C)[NH3+])C1 ZINC000092051367 180313268 /nfs/dbraw/zinc/31/32/68/180313268.db2.gz ZECCQYXKKPVWRR-UONOGXRCSA-N 1 0 278.396 2.114 10 0 CEAERO CCN1CCO[C@H](COc2cccc3c2CCC[C@@H]3[NH3+])C1 ZINC000092051370 180313428 /nfs/dbraw/zinc/31/34/28/180313428.db2.gz LKJBEJNMELIROD-BBRMVZONSA-N 1 0 290.407 2.122 10 0 CEAERO CC[NH2+][C@H](C)c1ccccc1OC[C@@H]1CN(C)CCO1 ZINC000092054202 180314257 /nfs/dbraw/zinc/31/42/57/180314257.db2.gz MAOBVCIZUFGJDS-KGLIPLIRSA-N 1 0 278.396 2.067 10 0 CEAERO C[C@H]1CC[C@@H](C[NH3+])CN1C(=O)N1CCCCCC1 ZINC000091971665 180295515 /nfs/dbraw/zinc/29/55/15/180295515.db2.gz VGJDMVVOMUAXJR-STQMWFEESA-N 1 0 253.390 2.042 10 0 CEAERO CCC(CC)N(CC[NH3+])C(=O)N1CCCCCC1 ZINC000091971949 180295712 /nfs/dbraw/zinc/29/57/12/180295712.db2.gz AIXLXUPNSLMPBI-UHFFFAOYSA-N 1 0 255.406 2.432 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@H]1NC(=O)N1CCCCCC1 ZINC000091971620 180295714 /nfs/dbraw/zinc/29/57/14/180295714.db2.gz IFTVDRQELTUVOC-CHWSQXEVSA-N 1 0 253.390 2.232 10 0 CEAERO CC1CCN(C(=O)N(CCC[NH3+])Cc2cccnc2)CC1 ZINC000091972546 180295855 /nfs/dbraw/zinc/29/58/55/180295855.db2.gz LJKHKRGCBMNIAH-UHFFFAOYSA-N 1 0 290.411 2.084 10 0 CEAERO C[C@H]1CCCN(C(=O)N2CCCC[C@H]2CC[NH3+])C1 ZINC000091991216 180299886 /nfs/dbraw/zinc/29/98/86/180299886.db2.gz ZFVNCJYJAFDZDG-STQMWFEESA-N 1 0 253.390 2.042 10 0 CEAERO C[NH2+]Cc1nc(C)ccc1OCC1(O)CCCCC1 ZINC000091994401 180301153 /nfs/dbraw/zinc/30/11/53/180301153.db2.gz ZBLUZFLGINZLKQ-UHFFFAOYSA-N 1 0 264.369 2.183 10 0 CEAERO Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2)c(C[NH3+])n1 ZINC000091993588 180301247 /nfs/dbraw/zinc/30/12/47/180301247.db2.gz TVYOGSJPZGTGCF-GFCCVEGCSA-N 1 0 285.347 2.255 10 0 CEAERO C[NH2+]Cc1nc(C)ccc1OCCOC(F)(F)F ZINC000091994340 180301347 /nfs/dbraw/zinc/30/13/47/180301347.db2.gz JITKWDUFBCBHJZ-UHFFFAOYSA-N 1 0 264.247 2.025 10 0 CEAERO Cc1ccc(O[C@H](C)C(=O)NC(C)C)c(C[NH2+]C(C)C)n1 ZINC000091995594 180301736 /nfs/dbraw/zinc/30/17/36/180301736.db2.gz VPYHUNJCBKNCEI-CYBMUJFWSA-N 1 0 293.411 2.180 10 0 CEAERO CCC[NH2+]Cc1nc(C)ccc1OCC(=O)N[C@H](C)CC ZINC000091995294 180302006 /nfs/dbraw/zinc/30/20/06/180302006.db2.gz HEVUFWSFDSOGNM-GFCCVEGCSA-N 1 0 293.411 2.183 10 0 CEAERO CCc1nnc(COc2ccc(C)nc2C[NH2+]C(C)C)o1 ZINC000091995539 180302014 /nfs/dbraw/zinc/30/20/14/180302014.db2.gz YBGOUSKCMJIOQP-UHFFFAOYSA-N 1 0 290.367 2.412 10 0 CEAERO COCC[NH2+]Cc1nc(C)ccc1OCC(C)C ZINC000091996487 180302107 /nfs/dbraw/zinc/30/21/07/180302107.db2.gz AFKADVIUMTWKAP-UHFFFAOYSA-N 1 0 252.358 2.161 10 0 CEAERO Cc1nn(C(C)C)c(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1N ZINC000092001460 180303573 /nfs/dbraw/zinc/30/35/73/180303573.db2.gz POMJILQRNUBQGN-OLZOCXBDSA-N 1 0 277.416 2.028 10 0 CEAERO C[C@@H]1CN(C(=O)CCC2CCC([NH3+])CC2)C[C@H]1C ZINC000092112981 180327580 /nfs/dbraw/zinc/32/75/80/180327580.db2.gz MRGBWZIWPBCXJG-IWMBGFJWSA-N 1 0 252.402 2.399 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)N(Cc1ccco1)C1CCCC1 ZINC000092134397 180332250 /nfs/dbraw/zinc/33/22/50/180332250.db2.gz FKSPDFQHVOAXAC-LBPRGKRZSA-N 1 0 264.369 2.406 10 0 CEAERO CCN(C(=O)[C@@H](C)C[NH2+]C)[C@@H](C)c1cccc(O)c1 ZINC000092134948 180332846 /nfs/dbraw/zinc/33/28/46/180332846.db2.gz ASIYPAGNVZWWCA-RYUDHWBXSA-N 1 0 264.369 2.157 10 0 CEAERO CCC[NH2+][C@H](Cc1ncnn1C(C)C)C(C)(C)OC ZINC000092140208 180333582 /nfs/dbraw/zinc/33/35/82/180333582.db2.gz GLFUXQCMGPLRPL-GFCCVEGCSA-N 1 0 268.405 2.195 10 0 CEAERO COCC[NH2+]Cc1cnn(-c2cc(F)c(F)c(F)c2)c1C ZINC000092150628 180334030 /nfs/dbraw/zinc/33/40/30/180334030.db2.gz ZIPJQKIUZFADMT-UHFFFAOYSA-N 1 0 299.296 2.334 10 0 CEAERO COCc1cccc([C@H](CN)[N@@H+]2C[C@H](C)[C@H](C)C2)c1 ZINC000092082712 180319198 /nfs/dbraw/zinc/31/91/98/180319198.db2.gz JLMKYQSNUNVRHB-ZENOOKHLSA-N 1 0 262.397 2.421 10 0 CEAERO C[NH2+]Cc1nc(C(C)C)ncc1N1C[C@H](C)[C@H](C)C1 ZINC000092088898 180321682 /nfs/dbraw/zinc/32/16/82/180321682.db2.gz MLGQIAANKXQRGU-TXEJJXNPSA-N 1 0 262.401 2.412 10 0 CEAERO COc1ccc(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)cc1Cl ZINC000092201166 180342585 /nfs/dbraw/zinc/34/25/85/180342585.db2.gz NPBJMELJXMAWFV-BDAKNGLRSA-N 1 0 266.728 2.191 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000092202143 180342695 /nfs/dbraw/zinc/34/26/95/180342695.db2.gz SJHLXAZWMODZGW-GZBFAFLISA-N 1 0 256.349 2.084 10 0 CEAERO CCN(Cc1ccccc1C)C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092202079 180342790 /nfs/dbraw/zinc/34/27/90/180342790.db2.gz JGBQPTJAEKBGEY-UKRRQHHQSA-N 1 0 258.365 2.247 10 0 CEAERO CCC(=O)Nc1ccc(C)c(NC(=O)[C@H]2C=C[C@H]([NH3+])C2)c1 ZINC000092202516 180342905 /nfs/dbraw/zinc/34/29/05/180342905.db2.gz ZDDMRNVQUMEDOM-RYUDHWBXSA-N 1 0 287.363 2.185 10 0 CEAERO COc1cc(OC)c(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)cc1Cl ZINC000092201345 180342938 /nfs/dbraw/zinc/34/29/38/180342938.db2.gz LZROBUYTJCUCSP-BDAKNGLRSA-N 1 0 296.754 2.199 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)N2CCC[C@@H]2c2ccccc2)C1 ZINC000092202049 180342959 /nfs/dbraw/zinc/34/29/59/180342959.db2.gz FXYUVNCAMFYKNT-RBSFLKMASA-N 1 0 256.349 2.254 10 0 CEAERO COc1c(C)ccc(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)c1C ZINC000092202278 180342988 /nfs/dbraw/zinc/34/29/88/180342988.db2.gz CYLDRPNEMUXILD-NWDGAFQWSA-N 1 0 260.337 2.154 10 0 CEAERO Cc1ccc2nc(NC(=O)[C@@H]3C=C[C@@H]([NH3+])C3)sc2c1 ZINC000092201236 180343017 /nfs/dbraw/zinc/34/30/17/180343017.db2.gz YPOJHOBXZVNFNU-NXEZZACHSA-N 1 0 273.361 2.447 10 0 CEAERO CC(C)C(=O)Nc1ccc(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)cc1 ZINC000092202696 180343282 /nfs/dbraw/zinc/34/32/82/180343282.db2.gz HZUCUOVWHUUHBT-NEPJUHHUSA-N 1 0 287.363 2.123 10 0 CEAERO CC(C)OC(=O)c1ccc(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)cc1 ZINC000092202710 180343476 /nfs/dbraw/zinc/34/34/76/180343476.db2.gz GTCYOCDHZHMCKJ-OLZOCXBDSA-N 1 0 288.347 2.094 10 0 CEAERO CCN(CC)c1ccc(NC(=O)[C@H]2C=C[C@H]([NH3+])C2)cc1 ZINC000092202582 180343520 /nfs/dbraw/zinc/34/35/20/180343520.db2.gz XHQWBOWSJZYSOQ-STQMWFEESA-N 1 0 273.380 2.375 10 0 CEAERO Cc1ccc(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)c2cccnc12 ZINC000092203796 180343731 /nfs/dbraw/zinc/34/37/31/180343731.db2.gz TXACTUARLSZTCT-NEPJUHHUSA-N 1 0 267.332 2.385 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)N(Cc2ccccc2)CC(F)(F)F)C1 ZINC000092204578 180343930 /nfs/dbraw/zinc/34/39/30/180343930.db2.gz CIZNNRLVBPXMAR-CHWSQXEVSA-N 1 0 298.308 2.481 10 0 CEAERO CC(C)c1ccc(CNC(=O)[C@H]2C=C[C@H]([NH3+])C2)cc1 ZINC000092207111 180344211 /nfs/dbraw/zinc/34/42/11/180344211.db2.gz WBTBODZOYMOVOU-GJZGRUSLSA-N 1 0 258.365 2.330 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)N(Cc2ccsc2)C2CC2)C1 ZINC000092206235 180344237 /nfs/dbraw/zinc/34/42/37/180344237.db2.gz VGURZIMLIOZCKP-VXGBXAGGSA-N 1 0 262.378 2.143 10 0 CEAERO CCCOC(=O)c1ccc(NC(=O)[C@H]2C=C[C@H]([NH3+])C2)cc1 ZINC000092206633 180344378 /nfs/dbraw/zinc/34/43/78/180344378.db2.gz TYEKUXWJAQIWBH-STQMWFEESA-N 1 0 288.347 2.095 10 0 CEAERO CCC1CCC(N(C)C(=O)[C@H]2C=C[C@@H]([NH3+])C2)CC1 ZINC000092205804 180344381 /nfs/dbraw/zinc/34/43/81/180344381.db2.gz LOJAPAYLEWQDPI-YIFLHPOLSA-N 1 0 250.386 2.317 10 0 CEAERO CCC[C@@H]1CCCN(C(=O)[C@@H]2C=C[C@@H]([NH3+])C2)CC1 ZINC000092207960 180344909 /nfs/dbraw/zinc/34/49/09/180344909.db2.gz MUUKXTXWSQTGSB-MGPQQGTHSA-N 1 0 250.386 2.319 10 0 CEAERO C[N@H+](Cc1ccccc1)C1CCN(CCn2cccn2)CC1 ZINC000105863081 186080490 /nfs/dbraw/zinc/08/04/90/186080490.db2.gz XGPGSYMHENDRFF-UHFFFAOYSA-N 1 0 298.434 2.480 10 0 CEAERO CSc1ccc(C(=O)N2[C@H](C)C[NH2+]C[C@H]2C)cc1 ZINC000092232195 180348294 /nfs/dbraw/zinc/34/82/94/180348294.db2.gz KVSNCMPZPOBERZ-GHMZBOCLSA-N 1 0 264.394 2.231 10 0 CEAERO C[C@@H]1CCC[C@@H](C[NH3+])N1C(=O)[C@@H]1Cc2ccccc2S1 ZINC000092232237 180348457 /nfs/dbraw/zinc/34/84/57/180348457.db2.gz RMJKKIMACVPWFS-ZLDLUXBVSA-N 1 0 290.432 2.432 10 0 CEAERO C[C@@]1(C2CC2)C[NH2+]CCN1C[C@@H]1COc2ccccc21 ZINC000092307268 180360310 /nfs/dbraw/zinc/36/03/10/180360310.db2.gz PTRMTCNWLVKWOD-DYVFJYSZSA-N 1 0 272.392 2.237 10 0 CEAERO c1ccc2c(c1)C[C@H](C[NH2+][C@H]1CN3CCC1CC3)S2 ZINC000092242335 180351476 /nfs/dbraw/zinc/35/14/76/180351476.db2.gz DRIHMTMYXYWVAZ-CABCVRRESA-N 1 0 274.433 2.387 10 0 CEAERO [NH3+]CCCc1nnc([C@@H]2CSc3ccccc32)o1 ZINC000092240288 180351665 /nfs/dbraw/zinc/35/16/65/180351665.db2.gz BCLKDRJCENNECN-SNVBAGLBSA-N 1 0 261.350 2.199 10 0 CEAERO NC(=O)C1CCC([NH2+]C[C@@H]2Cc3ccccc3S2)CC1 ZINC000092242919 180351691 /nfs/dbraw/zinc/35/16/91/180351691.db2.gz WVXQMEJFZFGZFM-UBHUBRDASA-N 1 0 290.432 2.337 10 0 CEAERO CN(C(=O)[C@@H]1CSc2ccccc21)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000092239714 180351831 /nfs/dbraw/zinc/35/18/31/180351831.db2.gz AIXWAUXXGOBNAZ-MRVWCRGKSA-N 1 0 290.432 2.462 10 0 CEAERO C[N@H+](CC1CC(O)C1)C[C@@H]1Cc2ccccc2S1 ZINC000092270285 180355410 /nfs/dbraw/zinc/35/54/10/180355410.db2.gz MQURAGFDZSETSE-UBHUBRDASA-N 1 0 263.406 2.406 10 0 CEAERO C[NH2+]Cc1nccn1C[C@@H]1Cc2ccccc2S1 ZINC000092268411 180356053 /nfs/dbraw/zinc/35/60/53/180356053.db2.gz YUFVLWGOJHZQHG-LBPRGKRZSA-N 1 0 259.378 2.320 10 0 CEAERO C[C@@H]([NH3+])Cc1nccn1C[C@H]1Cc2ccccc2S1 ZINC000092271378 180356217 /nfs/dbraw/zinc/35/62/17/180356217.db2.gz WPERWTDVMGLRLE-DGCLKSJQSA-N 1 0 273.405 2.490 10 0 CEAERO CC[C@@H]1CN(CCSc2ccccc2)CC[NH2+]1 ZINC000092272623 180356220 /nfs/dbraw/zinc/35/62/20/180356220.db2.gz JNXBJFIHYBQKEA-CYBMUJFWSA-N 1 0 250.411 2.463 10 0 CEAERO CC[NH2+]CCN(C)C[C@H]1CSc2ccccc21 ZINC000092288519 180357836 /nfs/dbraw/zinc/35/78/36/180357836.db2.gz MVBAYYLSQRJYAC-LBPRGKRZSA-N 1 0 250.411 2.417 10 0 CEAERO Cc1ccc(OC[C@@H]2COc3ccccc32)c(C[NH3+])n1 ZINC000092298718 180358688 /nfs/dbraw/zinc/35/86/88/180358688.db2.gz RBFJEMYJNOQTGZ-LBPRGKRZSA-N 1 0 270.332 2.404 10 0 CEAERO CN(CC[NH2+]C(C)(C)C)C[C@H]1COc2ccccc21 ZINC000092302705 180359350 /nfs/dbraw/zinc/35/93/50/180359350.db2.gz CEMYHRZTWNAPGG-ZDUSSCGKSA-N 1 0 262.397 2.483 10 0 CEAERO C[C@@H]1CCC[C@H](C[NH3+])N1C[C@@H]1COc2ccccc21 ZINC000092302543 180359491 /nfs/dbraw/zinc/35/94/91/180359491.db2.gz QNMQHZTZOZQTOR-MGPQQGTHSA-N 1 0 260.381 2.364 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](c2nc(-c3ccc(F)c(F)c3)no2)C1 ZINC000092181478 180338247 /nfs/dbraw/zinc/33/82/47/180338247.db2.gz RBQZIBRZVZAJCB-RKDXNWHRSA-N 1 0 263.247 2.386 10 0 CEAERO CCCC[NH+]1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105820626 186074738 /nfs/dbraw/zinc/07/47/38/186074738.db2.gz DHZNJOSOISRFTG-INIZCTEOSA-N 1 0 262.397 2.138 10 0 CEAERO C[C@@H]1CN(C[C@@H]2COc3ccccc32)[C@@H](C)CC[NH2+]1 ZINC000092307414 180360738 /nfs/dbraw/zinc/36/07/38/180360738.db2.gz HCSIHLLBEJRNSJ-HZSPNIEDSA-N 1 0 260.381 2.235 10 0 CEAERO CC(C)OCCC[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000105910283 186088761 /nfs/dbraw/zinc/08/87/61/186088761.db2.gz NPHVVSMMUYGUNY-UHFFFAOYSA-N 1 0 292.427 2.192 10 0 CEAERO C[NH2+]C[C@@H](C)c1c(C)nn(-c2nc(C)cc(C)n2)c1C ZINC000092320480 180361781 /nfs/dbraw/zinc/36/17/81/180361781.db2.gz DEOGJDVBKYCUJW-SECBINFHSA-N 1 0 273.384 2.219 10 0 CEAERO CCOCC[N@@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000105922304 186091422 /nfs/dbraw/zinc/09/14/22/186091422.db2.gz LNKRYKVUYVVNOG-ZDUSSCGKSA-N 1 0 251.374 2.210 10 0 CEAERO CN(C)[C@H](C[NH2+]C[C@H]1CCCO1)c1cccs1 ZINC000105946363 186093398 /nfs/dbraw/zinc/09/33/98/186093398.db2.gz DQIONJGHCDOQFV-VXGBXAGGSA-N 1 0 254.399 2.119 10 0 CEAERO Cc1noc(C)c1CNC(=O)CCC(C)(C)CC[NH3+] ZINC000092330525 180364047 /nfs/dbraw/zinc/36/40/47/180364047.db2.gz ZQZXZPJSXWWVCL-UHFFFAOYSA-N 1 0 267.373 2.063 10 0 CEAERO Cc1noc(C)c1[C@H](C)[NH2+]C[C@@H]1CN(C(C)C)CCO1 ZINC000092339361 180365223 /nfs/dbraw/zinc/36/52/23/180365223.db2.gz DJIOWXOUJKSXRO-SMDDNHRTSA-N 1 0 281.400 2.051 10 0 CEAERO CC[C@@H]1CN(Cc2cccc(C)c2)CC[N@@H+]1C[C@@H](C)O ZINC000106103463 186103377 /nfs/dbraw/zinc/10/33/77/186103377.db2.gz NFOQPDRYYLZYMR-NVXWUHKLSA-N 1 0 276.424 2.272 10 0 CEAERO CCC[NH2+][C@@H]1CCCN(Cc2c(C)nn(C)c2C)C1 ZINC000092342047 180365971 /nfs/dbraw/zinc/36/59/71/180365971.db2.gz WEOMEQSZCSUAFK-CQSZACIVSA-N 1 0 264.417 2.001 10 0 CEAERO Cc1noc(C)c1Cn1c(N)[nH+]c2ccc(F)cc21 ZINC000092341090 180365973 /nfs/dbraw/zinc/36/59/73/180365973.db2.gz PAXRSKFEGFZVID-UHFFFAOYSA-N 1 0 260.272 2.411 10 0 CEAERO Cc1noc(C)c1CN1CC2(CCCC2)[NH2+]C[C@H]1C ZINC000092342853 180366290 /nfs/dbraw/zinc/36/62/90/180366290.db2.gz OIKBDSMOCHVOEQ-LLVKDONJSA-N 1 0 263.385 2.398 10 0 CEAERO Cc1cc(CN(CC[NH3+])C2CC2)c2ccccc2n1 ZINC000092347497 180367154 /nfs/dbraw/zinc/36/71/54/180367154.db2.gz WHZJPPXGPSITIX-UHFFFAOYSA-N 1 0 255.365 2.466 10 0 CEAERO Cc1cc(NC(=O)c2ccc(CC[NH3+])cc2)ccn1 ZINC000092349811 180367301 /nfs/dbraw/zinc/36/73/01/180367301.db2.gz YYDAUJAOXVGHPC-UHFFFAOYSA-N 1 0 255.321 2.144 10 0 CEAERO COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)C1CC1)CCC2 ZINC000092384019 180372684 /nfs/dbraw/zinc/37/26/84/180372684.db2.gz UWKMVGYLQMYRSB-JKSUJKDBSA-N 1 0 261.365 2.433 10 0 CEAERO CC1(C)[C@H]2C[NH2+]C[C@@H]2CN1Cc1cccc(Cl)n1 ZINC000092366941 180369452 /nfs/dbraw/zinc/36/94/52/180369452.db2.gz BVPGTUSOHTZSSY-PWSUYJOCSA-N 1 0 265.788 2.165 10 0 CEAERO CCCNc1cccc(C[N@@H+]2CC[C@@H](COC)C2)n1 ZINC000092371116 180369965 /nfs/dbraw/zinc/36/99/65/180369965.db2.gz YRCZXCDZBPTWTE-CYBMUJFWSA-N 1 0 263.385 2.372 10 0 CEAERO CN(Cc1cccc(F)c1)Cc1cccc(NN)[nH+]1 ZINC000092370080 180370088 /nfs/dbraw/zinc/37/00/88/180370088.db2.gz FYXYZQJPVHSBTP-UHFFFAOYSA-N 1 0 260.316 2.138 10 0 CEAERO CCOc1ccc(OCc2cccc(NN)[nH+]2)cc1 ZINC000092371521 180370942 /nfs/dbraw/zinc/37/09/42/180370942.db2.gz LAUVZICKHAISII-UHFFFAOYSA-N 1 0 259.309 2.345 10 0 CEAERO CC[C@H](C)S(=O)(=O)[C@@H]1CCc2ccc(OC)cc2[C@@H]1[NH3+] ZINC000092388621 180374570 /nfs/dbraw/zinc/37/45/70/180374570.db2.gz JFCIAXFXDQIDKJ-VQISRLSMSA-N 1 0 297.420 2.223 10 0 CEAERO CCc1nn(C)cc1C[NH2+][C@@H](C)c1c(C)nn(C)c1C ZINC000092389469 180375670 /nfs/dbraw/zinc/37/56/70/180375670.db2.gz OCJYKUPZOCBUBJ-JTQLQIEISA-N 1 0 275.400 2.184 10 0 CEAERO CC(C)[C@@H](CO)[NH2+]Cc1ccn(C2CCCCC2)n1 ZINC000092394905 180376898 /nfs/dbraw/zinc/37/68/98/180376898.db2.gz PCETZOSIRUOOOC-OAHLLOKOSA-N 1 0 265.401 2.495 10 0 CEAERO C[C@H](NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)c1cccnc1 ZINC000106901659 186149040 /nfs/dbraw/zinc/14/90/40/186149040.db2.gz BPSWGRWLRRUBHE-WMLDXEAASA-N 1 0 297.402 2.432 10 0 CEAERO CCCNc1cc[nH+]c(CN(CC)CCOC)c1 ZINC000092418681 180380805 /nfs/dbraw/zinc/38/08/05/180380805.db2.gz NXRLEYPQMLQXLH-UHFFFAOYSA-N 1 0 251.374 2.372 10 0 CEAERO CNc1cc[nH+]c(CN2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000092418838 180380961 /nfs/dbraw/zinc/38/09/61/180380961.db2.gz QIXYURYIUZKOQT-GJZGRUSLSA-N 1 0 261.369 2.267 10 0 CEAERO CCNc1cc[nH+]c(CN2C(=O)c3ccccc3C2=O)c1 ZINC000092419545 180382444 /nfs/dbraw/zinc/38/24/44/180382444.db2.gz FJEBWGMXTNAPCG-UHFFFAOYSA-N 1 0 281.315 2.310 10 0 CEAERO CCNc1cc[nH+]c(CN2CCSC[C@H]2C)c1 ZINC000092419285 180382540 /nfs/dbraw/zinc/38/25/40/180382540.db2.gz STZRZZMVWAVCLK-LLVKDONJSA-N 1 0 251.399 2.451 10 0 CEAERO COc1ccc2c(c1)[C@@](CN)([NH2+]CC1CC1)CCC2 ZINC000092384836 180374189 /nfs/dbraw/zinc/37/41/89/180374189.db2.gz UEXGLVIQOZSHJI-MRXNPFEDSA-N 1 0 260.381 2.185 10 0 CEAERO CCOc1cc(C)c(NC(=O)CCC[NH3+])cc1C ZINC000107294666 186168035 /nfs/dbraw/zinc/16/80/35/186168035.db2.gz XUIYMEDAULFZEA-UHFFFAOYSA-N 1 0 250.342 2.380 10 0 CEAERO COc1cc(OC)c([C@H](C[NH3+])C(C)C)c(OC)c1 ZINC000107295769 186168165 /nfs/dbraw/zinc/16/81/65/186168165.db2.gz XGHMJPNIENOFPE-LLVKDONJSA-N 1 0 253.342 2.411 10 0 CEAERO OCC[C@H]1CC[N@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000130503863 365963299 /nfs/dbraw/zinc/96/32/99/365963299.db2.gz VNHRXHQAOFIPON-LLVKDONJSA-N 1 0 281.783 2.479 10 0 CEAERO COc1cccc(N(C)C(=O)C[NH2+]C(C)(C)C)c1 ZINC000092461101 180390457 /nfs/dbraw/zinc/39/04/57/180390457.db2.gz MLXQBZUVWMRPRG-UHFFFAOYSA-N 1 0 250.342 2.046 10 0 CEAERO Cc1nn(C)c2c1[nH]c(=S)n2CC[NH+]1CCCCC1 ZINC000092538746 180401681 /nfs/dbraw/zinc/40/16/81/180401681.db2.gz OOKIDIMNPXQZOY-UHFFFAOYSA-N 1 0 279.413 2.227 10 0 CEAERO CC(C)CC[NH+]1CCN(C(=O)OCC(F)(F)F)CC1 ZINC000108279598 186209910 /nfs/dbraw/zinc/20/99/10/186209910.db2.gz ROAXEJCIMMGNHH-UHFFFAOYSA-N 1 0 282.306 2.349 10 0 CEAERO COc1ccc(-c2noc([C@@H]3CCC[C@@H]3[NH3+])n2)cc1 ZINC000109502973 186257316 /nfs/dbraw/zinc/25/73/16/186257316.db2.gz RJXPDOQDFJLGCJ-NEPJUHHUSA-N 1 0 259.309 2.340 10 0 CEAERO CC[C@H]([NH3+])Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000109506564 186257644 /nfs/dbraw/zinc/25/76/44/186257644.db2.gz NYZCASPDESPNFW-QMMMGPOBSA-N 1 0 253.252 2.295 10 0 CEAERO C[NH2+][C@H](C)[C@@H](c1nc(Cc2ccccn2)no1)C(C)C ZINC000109499818 186257880 /nfs/dbraw/zinc/25/78/80/186257880.db2.gz JHUFVMZGUQFXMJ-RISCZKNCSA-N 1 0 274.368 2.403 10 0 CEAERO Cc1ccc(Cc2noc(C[C@H]([NH3+])C(C)C)n2)cc1 ZINC000109507717 186258402 /nfs/dbraw/zinc/25/84/02/186258402.db2.gz GCOYFQRKOWZASY-ZDUSSCGKSA-N 1 0 259.353 2.495 10 0 CEAERO C[NH2+][C@H](C)[C@@H](C)c1nc(Cc2cccc(OC)c2)no1 ZINC000109513231 186258491 /nfs/dbraw/zinc/25/84/91/186258491.db2.gz NSIDJJJJTKBVBK-GHMZBOCLSA-N 1 0 275.352 2.380 10 0 CEAERO C[NH2+][C@H](C)[C@@H](C)c1nc(Cc2csc(C)n2)no1 ZINC000109511601 186258698 /nfs/dbraw/zinc/25/86/98/186258698.db2.gz JOSCVIDHXXDOSP-HTQZYQBOSA-N 1 0 266.370 2.137 10 0 CEAERO C[NH2+][C@H](C)[C@@H](C)c1nc(Cc2ccc(OC)cc2)no1 ZINC000109520885 186258838 /nfs/dbraw/zinc/25/88/38/186258838.db2.gz TWHQFVBMSJXBDA-GHMZBOCLSA-N 1 0 275.352 2.380 10 0 CEAERO CC[NH2+][C@H]1CCC[C@@H]1c1nc(CC(F)(F)F)no1 ZINC000109517260 186259032 /nfs/dbraw/zinc/25/90/32/186259032.db2.gz YQZFZVNQAPTITG-YUMQZZPRSA-N 1 0 263.263 2.420 10 0 CEAERO CCC[NH2+][C@H]1CCCC[C@@H]1c1nc(CCOC)no1 ZINC000109517106 186259268 /nfs/dbraw/zinc/25/92/68/186259268.db2.gz PSHUXVOXDPFDER-RYUDHWBXSA-N 1 0 267.373 2.284 10 0 CEAERO NNc1cc(C2CC2)nc(-c2ccc3c(c2)CCO3)[nH+]1 ZINC000109528093 186260074 /nfs/dbraw/zinc/26/00/74/186260074.db2.gz PDXQCSWJRAZEBM-UHFFFAOYSA-N 1 0 268.320 2.242 10 0 CEAERO [NH3+]Cc1ccc(CNC(=O)c2c(F)cccc2F)c(F)c1 ZINC000109540223 186260699 /nfs/dbraw/zinc/26/06/99/186260699.db2.gz RHUCZHPRSIBFKR-UHFFFAOYSA-N 1 0 294.276 2.493 10 0 CEAERO CN(c1cc(C[NH3+])nc2ccccc21)C1CCOCC1 ZINC000109588449 186263943 /nfs/dbraw/zinc/26/39/43/186263943.db2.gz JSHOLKKPKAATPI-UHFFFAOYSA-N 1 0 271.364 2.309 10 0 CEAERO COC(=O)c1ccccc1N(C)CCCCC[NH3+] ZINC000109603919 186267909 /nfs/dbraw/zinc/26/79/09/186267909.db2.gz UVIMXNYGYRIQAN-UHFFFAOYSA-N 1 0 250.342 2.038 10 0 CEAERO Cc1nnc(Sc2nc3c(cc2C[NH3+])CCCC3)n1C ZINC000109686484 186269029 /nfs/dbraw/zinc/26/90/29/186269029.db2.gz BIUCJNVJUBOMBA-UHFFFAOYSA-N 1 0 289.408 2.007 10 0 CEAERO CC(C)(C)[NH2+]CC(=O)Nc1nc(C2CC2)cs1 ZINC000109215656 186245688 /nfs/dbraw/zinc/24/56/88/186245688.db2.gz WIDUGNGTLGMPEQ-UHFFFAOYSA-N 1 0 253.371 2.347 10 0 CEAERO C[C@@H]([NH2+]CCc1nncn1C)c1ccc(Cl)cc1 ZINC000109421024 186251253 /nfs/dbraw/zinc/25/12/53/186251253.db2.gz CPBOJYWJTANDKQ-SNVBAGLBSA-N 1 0 264.760 2.362 10 0 CEAERO CC[NH+](CC)[C@H]1CCN(Cc2c(N)cccc2F)C1 ZINC000109427948 186251906 /nfs/dbraw/zinc/25/19/06/186251906.db2.gz CYKMDZZYXDCZFI-LBPRGKRZSA-N 1 0 265.376 2.324 10 0 CEAERO Cn1cnnc1CC[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000109422460 186251953 /nfs/dbraw/zinc/25/19/53/186251953.db2.gz DCUIVWMLBOXGKB-LBPRGKRZSA-N 1 0 292.383 2.323 10 0 CEAERO CCC[C@H](C)C(=O)N1CC[NH+]([C@@H](CCC)C(N)=S)CC1 ZINC000109464272 186253927 /nfs/dbraw/zinc/25/39/27/186253927.db2.gz BRWQPEPXLCQQCE-STQMWFEESA-N 1 0 299.484 2.022 10 0 CEAERO CCC[C@@H](C(N)=S)[NH+]1CCN(CC2CCCC2)CC1 ZINC000109470001 186254091 /nfs/dbraw/zinc/25/40/91/186254091.db2.gz XZXJNKRSONTDIU-AWEZNQCLSA-N 1 0 283.485 2.249 10 0 CEAERO CCCCCC(=O)N1CC[NH+]([C@H](CCC)C(N)=S)CC1 ZINC000109464338 186254355 /nfs/dbraw/zinc/25/43/55/186254355.db2.gz LBNDYWRBOJYVPH-CYBMUJFWSA-N 1 0 299.484 2.166 10 0 CEAERO CC[C@@H](c1noc(-c2sccc2C)n1)N1CC[NH2+]CC1 ZINC000109474693 186254651 /nfs/dbraw/zinc/25/46/51/186254651.db2.gz XFHPWPKPIOLCNQ-NSHDSACASA-N 1 0 292.408 2.463 10 0 CEAERO CC[C@H](c1noc(-c2ccccc2F)n1)N1CC[NH2+]CC1 ZINC000109474581 186254857 /nfs/dbraw/zinc/25/48/57/186254857.db2.gz NANSLOQHXMNNHY-CYBMUJFWSA-N 1 0 290.342 2.232 10 0 CEAERO CC[NH2+][C@](C)(CC[N@H+](CCC(C)C)C1CC1)C(=O)[O-] ZINC000109956522 186280624 /nfs/dbraw/zinc/28/06/24/186280624.db2.gz WNWRJSUVBWBHMF-OAHLLOKOSA-N 1 0 270.417 2.340 10 0 CEAERO O=c1ccccn1CC[NH2+]Cc1cccc(Cl)c1 ZINC000110056567 186284242 /nfs/dbraw/zinc/28/42/42/186284242.db2.gz HAJURSXXJMKRGK-UHFFFAOYSA-N 1 0 262.740 2.292 10 0 CEAERO Cc1nnc(SCCC[NH2+]C2CCCC2)n1C ZINC000110250081 186288677 /nfs/dbraw/zinc/28/86/77/186288677.db2.gz KMSMFIMMPVZPEW-UHFFFAOYSA-N 1 0 254.403 2.138 10 0 CEAERO Cc1ccc([C@@H](Sc2nnc(C)n2C)[C@H](C)[NH3+])o1 ZINC000110353544 186293691 /nfs/dbraw/zinc/29/36/91/186293691.db2.gz MSWDPUYDRALEHA-KWQFWETISA-N 1 0 266.370 2.206 10 0 CEAERO C[NH2+][C@H](CO[C@@H]1CCOC1)c1cc(C)ccc1OC ZINC000110526795 186301352 /nfs/dbraw/zinc/30/13/52/186301352.db2.gz CPDXDYWESLFXQW-TZMCWYRMSA-N 1 0 265.353 2.070 10 0 CEAERO C[NH2+]Cc1c2ccccc2oc1CO[C@@H]1CCOC1 ZINC000110532944 186301481 /nfs/dbraw/zinc/30/14/81/186301481.db2.gz MTVZVSLYUORUKU-LLVKDONJSA-N 1 0 261.321 2.458 10 0 CEAERO [NH3+]Cc1ccc(CC(=O)N2Cc3ccccc3C2)cc1 ZINC000110613922 186305904 /nfs/dbraw/zinc/30/59/04/186305904.db2.gz MITOJGVDIRAURS-UHFFFAOYSA-N 1 0 266.344 2.230 10 0 CEAERO COC(=O)[C@@H](C(C)C)n1c(N)[nH+]c2cc(F)c(OC)cc21 ZINC000110629927 186307842 /nfs/dbraw/zinc/30/78/42/186307842.db2.gz FHBCQXMAJKMMOV-GFCCVEGCSA-N 1 0 295.314 2.136 10 0 CEAERO C[C@H](NC(=O)C1([NH3+])CCC1)c1cc(F)ccc1F ZINC000147607865 539803770 /nfs/dbraw/zinc/80/37/70/539803770.db2.gz LUSUCILXAVTWMB-QMMMGPOBSA-N 1 0 254.280 2.023 10 0 CEAERO c1ccc2c(c1)nncc2NCC[C@@H]1CCC[NH2+]C1 ZINC000110793285 186325433 /nfs/dbraw/zinc/32/54/33/186325433.db2.gz UVHAIOKVTXYJGN-LBPRGKRZSA-N 1 0 256.353 2.431 10 0 CEAERO C[C@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)N1CCC[C@@H](C)CC1 ZINC000110818794 186327567 /nfs/dbraw/zinc/32/75/67/186327567.db2.gz XFIVTKMZEXIMPP-RFGFWPKPSA-N 1 0 252.402 2.399 10 0 CEAERO CCN[C@H](CC[N@H+](C)CC1CCCC1)C(=O)OCC ZINC000110841148 186328042 /nfs/dbraw/zinc/32/80/42/186328042.db2.gz LIXGUHZURRFBEP-CQSZACIVSA-N 1 0 270.417 2.040 10 0 CEAERO CCC1(C(=O)N(C)CC2CCCC2)CC[NH2+]CC1 ZINC000110843183 186328146 /nfs/dbraw/zinc/32/81/46/186328146.db2.gz QNPGSVOJUARVNJ-UHFFFAOYSA-N 1 0 252.402 2.415 10 0 CEAERO COCc1cccc(NC(=O)C[NH2+]C(C)(C)C)c1 ZINC000110839076 186328441 /nfs/dbraw/zinc/32/84/41/186328441.db2.gz FSAAORIFCWYSKO-UHFFFAOYSA-N 1 0 250.342 2.160 10 0 CEAERO CCN[C@](C)(CC[N@H+](C)CC1CCCC1)C(=O)OC ZINC000110840606 186328989 /nfs/dbraw/zinc/32/89/89/186328989.db2.gz RXXFTPHILKPZKB-OAHLLOKOSA-N 1 0 270.417 2.040 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1cnccn1)c1ccncc1 ZINC000110912611 186332147 /nfs/dbraw/zinc/33/21/47/186332147.db2.gz BADKQZCPNVJDFT-AAEUAGOBSA-N 1 0 260.366 2.442 10 0 CEAERO CN(Cc1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCC[NH2+]C1 ZINC000110930065 186333476 /nfs/dbraw/zinc/33/34/76/186333476.db2.gz DOVHUJYLPWGTDT-GFCCVEGCSA-N 1 0 296.798 2.295 10 0 CEAERO CCc1ccsc1C(=O)N(C)[C@@H]1CCC[NH2+]C1 ZINC000110927249 186333726 /nfs/dbraw/zinc/33/37/26/186333726.db2.gz WRKBSUZAAWMKJJ-LLVKDONJSA-N 1 0 252.383 2.135 10 0 CEAERO COc1ccc(C(C)=O)cc1CN(C)[C@H]1CCC[NH2+]C1 ZINC000110932021 186333805 /nfs/dbraw/zinc/33/38/05/186333805.db2.gz WINOEALFDPBTFY-HNNXBMFYSA-N 1 0 276.380 2.082 10 0 CEAERO CN(CCCOc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000110931373 186333920 /nfs/dbraw/zinc/33/39/20/186333920.db2.gz JDWBLPGXLBOLGB-CQSZACIVSA-N 1 0 266.360 2.278 10 0 CEAERO CCN(C(=O)c1cccc2ncccc21)[C@@H]1CCC[NH2+]C1 ZINC000110939709 186334113 /nfs/dbraw/zinc/33/41/13/186334113.db2.gz OIXARCSBCONSQY-CYBMUJFWSA-N 1 0 283.375 2.449 10 0 CEAERO CCN(CC(=O)N[C@@H](C)CCCC(C)C)[C@@H]1CCC[NH2+]C1 ZINC000110942710 186334320 /nfs/dbraw/zinc/33/43/20/186334320.db2.gz BIZOJXPJIKNPOS-JKSUJKDBSA-N 1 0 297.487 2.391 10 0 CEAERO CCCN(CC(=O)N(C)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000110945452 186335203 /nfs/dbraw/zinc/33/52/03/186335203.db2.gz HZJJZVFGOFYPNJ-MRXNPFEDSA-N 1 0 289.423 2.113 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(C)cc1OC[C@H](C)C(N)=O ZINC000110960665 186336575 /nfs/dbraw/zinc/33/65/75/186336575.db2.gz YBPAEEKEGJCQGM-NWDGAFQWSA-N 1 0 264.369 2.166 10 0 CEAERO COCCC[NH2+]CCOc1ccccc1SC ZINC000110985662 186339007 /nfs/dbraw/zinc/33/90/07/186339007.db2.gz QONUVYQHZLHXEG-UHFFFAOYSA-N 1 0 255.383 2.413 10 0 CEAERO CCCNc1cc(C(=O)N2CC[N@H+](C)[C@@H](CC)C2)ccn1 ZINC000110696911 186315133 /nfs/dbraw/zinc/31/51/33/186315133.db2.gz GYAZUJDCHFVROB-AWEZNQCLSA-N 1 0 290.411 2.070 10 0 CEAERO CC[C@H]1CN(CCNc2ccccc2C)CC[N@@H+]1C ZINC000110757405 186321625 /nfs/dbraw/zinc/32/16/25/186321625.db2.gz QMYZFSVJVRDRQS-HNNXBMFYSA-N 1 0 261.413 2.433 10 0 CEAERO CCOC(CCN1CC[C@H]([NH+]2CCCCC2)C1)OCC ZINC000110786073 186324179 /nfs/dbraw/zinc/32/41/79/186324179.db2.gz MRKLSKMPXLBQIV-HNNXBMFYSA-N 1 0 284.444 2.336 10 0 CEAERO CS(=O)(=O)CCS[C@@H](C[NH3+])c1ccccc1Cl ZINC000111003971 186341567 /nfs/dbraw/zinc/34/15/67/186341567.db2.gz PNRZKVJISMPDKE-NSHDSACASA-N 1 0 293.841 2.118 10 0 CEAERO C[C@H](CNC(=O)c1c(N)cccc1Cl)C[NH+]1CCCC1 ZINC000111012772 186342840 /nfs/dbraw/zinc/34/28/40/186342840.db2.gz XVPDHLJJTATQMA-LLVKDONJSA-N 1 0 295.814 2.384 10 0 CEAERO NC(=O)c1cc(F)ccc1N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000111027110 186345915 /nfs/dbraw/zinc/34/59/15/186345915.db2.gz VPHMEHYWPITGFB-NSHDSACASA-N 1 0 277.343 2.011 10 0 CEAERO NC(=[NH2+])c1cc(F)ccc1SC1CCOCC1 ZINC000111035702 186346495 /nfs/dbraw/zinc/34/64/95/186346495.db2.gz UHZUAAHNXYBHEP-UHFFFAOYSA-N 1 0 254.330 2.381 10 0 CEAERO CC(C)CN(CC[NH+](C)C)c1ccc(F)cc1C(N)=S ZINC000111031979 186346659 /nfs/dbraw/zinc/34/66/59/186346659.db2.gz ANAPOJTYAPFUPD-UHFFFAOYSA-N 1 0 297.443 2.484 10 0 CEAERO Cc1cnccc1NC(=O)c1cccc(CC[NH3+])c1 ZINC000111043067 186347390 /nfs/dbraw/zinc/34/73/90/186347390.db2.gz VLAAETQOUCLVOZ-UHFFFAOYSA-N 1 0 255.321 2.144 10 0 CEAERO COc1ccc([C@@H](C[NH3+])N(C)C[C@@H]2CCCOC2)cc1C ZINC000111158240 186362712 /nfs/dbraw/zinc/36/27/12/186362712.db2.gz PAPBXLGFKCNNQM-GOEBONIOSA-N 1 0 292.423 2.362 10 0 CEAERO COc1ccc(C)cc1[C@@H](N)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000111160258 186362807 /nfs/dbraw/zinc/36/28/07/186362807.db2.gz LAEISFPLLGCAJL-HOCLYGCPSA-N 1 0 292.423 2.362 10 0 CEAERO COc1cccc([C@@H]([C@@H](C)N)[N@H+](C)CC2CCOCC2)c1 ZINC000111156071 186363050 /nfs/dbraw/zinc/36/30/50/186363050.db2.gz CVUXKFRSPUJZOK-CXAGYDPISA-N 1 0 292.423 2.442 10 0 CEAERO CC(C)[NH2+]CCC(=O)N(C)C[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000111088163 186351512 /nfs/dbraw/zinc/35/15/12/186351512.db2.gz UHXJRDCMIGQFII-MJBXVCDLSA-N 1 0 252.402 2.269 10 0 CEAERO CCCOCCOC[C@H]([NH3+])c1ccccc1OC ZINC000111107834 186352287 /nfs/dbraw/zinc/35/22/87/186352287.db2.gz SXLCDJGJYWZCRD-ZDUSSCGKSA-N 1 0 253.342 2.138 10 0 CEAERO CCCOCCOCc1cc(C[NH2+]C(C)C)no1 ZINC000111111080 186353218 /nfs/dbraw/zinc/35/32/18/186353218.db2.gz DNTGLTYILLDHFF-UHFFFAOYSA-N 1 0 256.346 2.116 10 0 CEAERO CCOCCN(CC)c1nc(C)cc(C)c1C[NH3+] ZINC000111116238 186353363 /nfs/dbraw/zinc/35/33/63/186353363.db2.gz RPCQKLGZVSVWPE-UHFFFAOYSA-N 1 0 251.374 2.020 10 0 CEAERO CCCOCCOC[C@H]([NH3+])c1ccc(OC)cc1OC ZINC000111108395 186353630 /nfs/dbraw/zinc/35/36/30/186353630.db2.gz VJWAZWLLUPGYIK-AWEZNQCLSA-N 1 0 283.368 2.147 10 0 CEAERO CCOCCN(CC)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000111117086 186354335 /nfs/dbraw/zinc/35/43/35/186354335.db2.gz CQRJBNGOEUROPA-CQSZACIVSA-N 1 0 254.349 2.184 10 0 CEAERO CCOCCN(CC)c1ccc(C[NH2+]CC(C)C)nn1 ZINC000111123439 186354640 /nfs/dbraw/zinc/35/46/40/186354640.db2.gz NAIHCBUVGOQSNF-UHFFFAOYSA-N 1 0 280.416 2.085 10 0 CEAERO CCOCCN(CC)[C@H](C[NH3+])c1ccc(OCC)cc1 ZINC000111117865 186355237 /nfs/dbraw/zinc/35/52/37/186355237.db2.gz DTHDOHJENNTTBG-MRXNPFEDSA-N 1 0 280.412 2.444 10 0 CEAERO CCc1ccc(C(=O)CN(C)CCC[NH+](C)C)s1 ZINC000111140086 186357475 /nfs/dbraw/zinc/35/74/75/186357475.db2.gz AGCATGQGNHDECH-UHFFFAOYSA-N 1 0 268.426 2.377 10 0 CEAERO Cc1cc(C)c(C(=O)CN(C)CC[NH+](C)C)c(C)c1 ZINC000111139833 186357557 /nfs/dbraw/zinc/35/75/57/186357557.db2.gz QVWWVQXJMLMASM-UHFFFAOYSA-N 1 0 262.397 2.288 10 0 CEAERO CN(CCC[NH+](C)C)C[C@H](N)c1cc2ccccc2o1 ZINC000111136736 186357621 /nfs/dbraw/zinc/35/76/21/186357621.db2.gz OHNKOCAKXMTLFS-AWEZNQCLSA-N 1 0 275.396 2.316 10 0 CEAERO CN(CCC[NH+](C)C)C(=O)c1ccc2c(c1)CCCN2 ZINC000111137550 186357928 /nfs/dbraw/zinc/35/79/28/186357928.db2.gz MQDHMMGLSIOJTI-UHFFFAOYSA-N 1 0 275.396 2.068 10 0 CEAERO Cc1ccc([C@@H](O)CN(C)CCC[NH+](C)C)cc1C ZINC000111143910 186359270 /nfs/dbraw/zinc/35/92/70/186359270.db2.gz JSGOCTGDWMTZPX-INIZCTEOSA-N 1 0 264.413 2.220 10 0 CEAERO C[N@@H+](Cc1nc2cc(N)ccc2[nH]1)C[C@H]1CCCOC1 ZINC000111154916 186359841 /nfs/dbraw/zinc/35/98/41/186359841.db2.gz IMQBMTGTEOQAGC-LLVKDONJSA-N 1 0 274.368 2.004 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccsc1)N(C)C[C@@H]1CCCOC1 ZINC000111154973 186360277 /nfs/dbraw/zinc/36/02/77/186360277.db2.gz RLLVKXUCDXPRHV-MBNYWOFBSA-N 1 0 268.426 2.495 10 0 CEAERO C[C@H]([C@@H](O)c1ccccc1)[N@H+](C)CC1CCOCC1 ZINC000111168859 186364156 /nfs/dbraw/zinc/36/41/56/186364156.db2.gz SMPLCFPMUHLGQX-CZUORRHYSA-N 1 0 263.381 2.467 10 0 CEAERO CN(c1ccc(F)cc1)[C@@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111321075 186397417 /nfs/dbraw/zinc/39/74/17/186397417.db2.gz XJHWCAMHDLJENW-RISCZKNCSA-N 1 0 252.333 2.016 10 0 CEAERO CN(C[C@@]1(C[NH3+])CCCOC1)c1ccc(F)cc1 ZINC000111326993 186398316 /nfs/dbraw/zinc/39/83/16/186398316.db2.gz LHTLXEYTGTWIJB-AWEZNQCLSA-N 1 0 252.333 2.017 10 0 CEAERO CCCN(CC(F)(F)F)C[C@]1(C[NH2+]C)CCCOC1 ZINC000111326298 186399120 /nfs/dbraw/zinc/39/91/20/186399120.db2.gz XVZIYPIULANYRM-GFCCVEGCSA-N 1 0 282.350 2.277 10 0 CEAERO CCCN(C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)C(C)C ZINC000111243567 186374601 /nfs/dbraw/zinc/37/46/01/186374601.db2.gz WIJKQIIZQGVEQI-NSHDSACASA-N 1 0 266.307 2.175 10 0 CEAERO FC(F)(F)[C@]1(c2nc(-c3ccccc3)n[nH]2)CC[NH2+]C1 ZINC000111241373 186375009 /nfs/dbraw/zinc/37/50/09/186375009.db2.gz ORJKREDAYFDWNP-GFCCVEGCSA-N 1 0 282.269 2.265 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1c1nc(Cc2cccc(F)c2)no1 ZINC000111256487 186378993 /nfs/dbraw/zinc/37/89/93/186378993.db2.gz JWTDIVPMQKHUHR-JOYOIKCWSA-N 1 0 261.300 2.122 10 0 CEAERO COCCn1c2ccccc2nc1[C@H]1C[NH2+]C[C@H]1C ZINC000111256125 186379291 /nfs/dbraw/zinc/37/92/91/186379291.db2.gz FHHMJWKFKUWZGL-NEPJUHHUSA-N 1 0 259.353 2.006 10 0 CEAERO CC[C@@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1C)c1ccccc1OC ZINC000111265604 186381389 /nfs/dbraw/zinc/38/13/89/186381389.db2.gz BFCAHKMBQMCLKZ-FPMFFAJLSA-N 1 0 276.380 2.118 10 0 CEAERO CCCN(Cc1ccccc1)C(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000111264145 186381447 /nfs/dbraw/zinc/38/14/47/186381447.db2.gz AKUDFUXUVQZBFJ-HIFRSBDPSA-N 1 0 260.381 2.281 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc(-n2cccc2)c1 ZINC000111266994 186383494 /nfs/dbraw/zinc/38/34/94/186383494.db2.gz XFPDTWQCMIPJHA-WFASDCNBSA-N 1 0 269.348 2.271 10 0 CEAERO C[C@@H](c1cc(F)ccc1F)N(C)C(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000111268763 186383607 /nfs/dbraw/zinc/38/36/07/186383607.db2.gz IJAYWQFXXSQYHJ-KWBADKCTSA-N 1 0 282.334 2.340 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N(Cc1ccsc1)C1CC1 ZINC000111270759 186383690 /nfs/dbraw/zinc/38/36/90/186383690.db2.gz ZZEFSBFPEYPPEW-MFKMUULPSA-N 1 0 264.394 2.095 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000111268554 186384419 /nfs/dbraw/zinc/38/44/19/186384419.db2.gz NDNBTNNEUHAGLX-ZWNOBZJWSA-N 1 0 266.772 2.154 10 0 CEAERO CC[C@@H]1c2ccsc2CCN1C(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000111268973 186384519 /nfs/dbraw/zinc/38/45/19/186384519.db2.gz ITYNCPSPYPBACP-CYZMBNFOSA-N 1 0 278.421 2.439 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC[C@@H]1C1CCCC1 ZINC000111272113 186385561 /nfs/dbraw/zinc/38/55/61/186385561.db2.gz BUQIVEAVCKVLCJ-FPMFFAJLSA-N 1 0 250.386 2.023 10 0 CEAERO CCN(C(=O)c1ccc(C[NH3+])cn1)c1ccc(F)cc1 ZINC000111282231 186387663 /nfs/dbraw/zinc/38/76/63/186387663.db2.gz HQMKTXCWQMOZFR-UHFFFAOYSA-N 1 0 273.311 2.346 10 0 CEAERO CCC1CCC(NC(=O)c2ccc(C[NH3+])cn2)CC1 ZINC000111281793 186387834 /nfs/dbraw/zinc/38/78/34/186387834.db2.gz CNQVTUWEYPCOHD-UHFFFAOYSA-N 1 0 261.369 2.239 10 0 CEAERO CC(C)CCC[C@H](C)NC(=O)c1ccc(C[NH3+])cn1 ZINC000111281802 186388834 /nfs/dbraw/zinc/38/88/34/186388834.db2.gz HECOQHMPMUVJFR-LBPRGKRZSA-N 1 0 263.385 2.485 10 0 CEAERO Cc1nc(Cl)c(C)c(N[C@H](C)CC[NH+](C)C)n1 ZINC000111297975 186391700 /nfs/dbraw/zinc/39/17/00/186391700.db2.gz CXUZUFWQCCOGDZ-MRVPVSSYSA-N 1 0 256.781 2.499 10 0 CEAERO C[C@H]1C[C@H](C)CN(c2nc3sccn3c2CC[NH3+])C1 ZINC000111478544 186422203 /nfs/dbraw/zinc/42/22/03/186422203.db2.gz ARDBQTHDAQURMV-QWRGUYRKSA-N 1 0 278.425 2.379 10 0 CEAERO CCN(CC(C)C)c1c(C[C@@H](C)[NH3+])c(C)nn1C ZINC000111491499 186423585 /nfs/dbraw/zinc/42/35/85/186423585.db2.gz MZMPOLCQQRNVQH-LLVKDONJSA-N 1 0 252.406 2.101 10 0 CEAERO CCN(c1nc2ccccn2c1C[C@H](C)[NH3+])[C@@H](C)COC ZINC000111502110 186424459 /nfs/dbraw/zinc/42/44/59/186424459.db2.gz YCODBRBSDGVHFF-STQMWFEESA-N 1 0 290.411 2.085 10 0 CEAERO CC[C@H]([NH3+])Cc1ccccc1Sc1nncn1C ZINC000111581909 186429381 /nfs/dbraw/zinc/42/93/81/186429381.db2.gz CRWGGMABKKGGIQ-NSHDSACASA-N 1 0 262.382 2.246 10 0 CEAERO C[C@@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)NCCOC1CCCCC1 ZINC000111651187 186437831 /nfs/dbraw/zinc/43/78/31/186437831.db2.gz NQAFFTHSLWJVTR-IPYPFGDCSA-N 1 0 282.428 2.215 10 0 CEAERO C[NH2+][C@H](C)[C@H]1CCCCN1CC(=O)Nc1ccc(F)cc1 ZINC000111711148 186448960 /nfs/dbraw/zinc/44/89/60/186448960.db2.gz JXXCFQLGJIRHFJ-IUODEOHRSA-N 1 0 293.386 2.227 10 0 CEAERO CC(C)(C)[NH2+]C[C@H]1CCCN(S(=O)(=O)C(C)(C)C)C1 ZINC000111719790 186450076 /nfs/dbraw/zinc/45/00/76/186450076.db2.gz NMOHBFYQUYRWFP-GFCCVEGCSA-N 1 0 290.473 2.215 10 0 CEAERO C[C@@H]1CCC[C@](C[NH3+])(NC(=O)c2ccc3c(c2)COC3)C1 ZINC000111369959 186407985 /nfs/dbraw/zinc/40/79/85/186407985.db2.gz HRGOXXPPSYWIOV-PXAZEXFGSA-N 1 0 288.391 2.354 10 0 CEAERO [NH3+][C@H]1Cc2ccccc2[C@@H]1NC(=O)c1cc(F)ccc1F ZINC000111367728 186408105 /nfs/dbraw/zinc/40/81/05/186408105.db2.gz KSKUGMUJNLWKKP-GJZGRUSLSA-N 1 0 288.297 2.319 10 0 CEAERO CN1CC[C@H]([NH3+])[C@@H]1c1ccccc1Br ZINC000069798976 363001701 /nfs/dbraw/zinc/00/17/01/363001701.db2.gz OLMDBAOYGNVZBS-QWRGUYRKSA-N 1 0 255.159 2.153 10 0 CEAERO O=C(C1CC[NH+](C2CC2)CC1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000195361816 539811707 /nfs/dbraw/zinc/81/17/07/539811707.db2.gz LDXUIAVNBGDIHB-HOTGVXAUSA-N 1 0 292.423 2.031 10 0 CEAERO CCN(Cc1ccoc1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000629599232 351427654 /nfs/dbraw/zinc/42/76/54/351427654.db2.gz AOCHSPGMIAHEAO-LBPRGKRZSA-N 1 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SVNIUDACZZMGFM-ZDUSSCGKSA-N 1 0 283.379 2.199 10 0 CEAERO CCc1ccc(CN2C[C@@H](OC)C[C@@]2(C)C[NH3+])cc1 ZINC000630366203 351713302 /nfs/dbraw/zinc/71/33/02/351713302.db2.gz UICQINMPYMVRFK-HOTGVXAUSA-N 1 0 262.397 2.187 10 0 CEAERO CO[C@@H]1CN(Cc2cc(F)ccc2Cl)[C@@](C)(C[NH3+])C1 ZINC000630369257 351714294 /nfs/dbraw/zinc/71/42/94/351714294.db2.gz WFIBGDFWVAEQPW-GXTWGEPZSA-N 1 0 286.778 2.417 10 0 CEAERO CO[C@@H]1CN(C(=O)c2ccc(Cl)cc2C)[C@](C)(C[NH3+])C1 ZINC000630373054 351715702 /nfs/dbraw/zinc/71/57/02/351715702.db2.gz IRKDYYHVXHKXMG-WFASDCNBSA-N 1 0 296.798 2.227 10 0 CEAERO Cc1csc2c1ncnc2N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000630538733 351777348 /nfs/dbraw/zinc/77/73/48/351777348.db2.gz OWYMECXBRAIVPM-GASCZTMLSA-N 1 0 288.420 2.436 10 0 CEAERO C[C@H]1CC[C@@H](C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)O1 ZINC000131646939 366073541 /nfs/dbraw/zinc/07/35/41/366073541.db2.gz JDFUWULEYYXDNM-ILXRZTDVSA-N 1 0 282.428 2.182 10 0 CEAERO COc1cccnc1NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000630549873 351780863 /nfs/dbraw/zinc/78/08/63/351780863.db2.gz FAHDCEZVWUUEEN-CQSZACIVSA-N 1 0 271.364 2.462 10 0 CEAERO CC(C)Oc1cc(N[C@H]2CC[C@H](C[NH3+])CC2)ncn1 ZINC000630557189 351784695 /nfs/dbraw/zinc/78/46/95/351784695.db2.gz CLLHXZAIIMRRDE-HAQNSBGRSA-N 1 0 264.373 2.193 10 0 CEAERO Cc1csc2c1ncnc2N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000630566641 351787660 /nfs/dbraw/zinc/78/76/60/351787660.db2.gz DTQNGGQGAUWETK-WCBMZHEXSA-N 1 0 262.382 2.031 10 0 CEAERO CC[C@H]1CC[N@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000131594328 366068627 /nfs/dbraw/zinc/06/86/27/366068627.db2.gz ZDUOJNXKTLZJBM-HOCLYGCPSA-N 1 0 263.381 2.296 10 0 CEAERO COc1cccnc1N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000630517552 351769451 /nfs/dbraw/zinc/76/94/51/351769451.db2.gz SGVMWRRRCRRICM-AWEZNQCLSA-N 1 0 275.396 2.306 10 0 CEAERO [NH3+]C[C@@H]1CCCN1C(=O)Nc1cccc(Cl)c1 ZINC000131671559 366076343 /nfs/dbraw/zinc/07/63/43/366076343.db2.gz AWFZOLDSPDRXNG-NSHDSACASA-N 1 0 253.733 2.295 10 0 CEAERO COc1csc(C(=O)Nc2ccc(OCC[NH3+])cc2)c1 ZINC000122478238 187034537 /nfs/dbraw/zinc/03/45/37/187034537.db2.gz VRCROYSRTAPCNA-UHFFFAOYSA-N 1 0 292.360 2.347 10 0 CEAERO CSCCCCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000122668419 187045126 /nfs/dbraw/zinc/04/51/26/187045126.db2.gz RJBQGKNOBRYTEY-CHWSQXEVSA-N 1 0 270.442 2.215 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2cccc(OCCF)c2)C1 ZINC000123187056 187076528 /nfs/dbraw/zinc/07/65/28/187076528.db2.gz JJVBXYYPEZDZII-CYBMUJFWSA-N 1 0 295.358 2.203 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)CCc2ccc(F)cc2F)C1 ZINC000124035323 187119387 /nfs/dbraw/zinc/11/93/87/187119387.db2.gz UAQYDQWBPLCVRR-ZDUSSCGKSA-N 1 0 282.334 2.060 10 0 CEAERO C[C@H](C[NH2+][C@@H](C)c1ccccc1F)N1CCOCC1 ZINC000123211188 187077869 /nfs/dbraw/zinc/07/78/69/187077869.db2.gz CPJSFUCZQLSCRQ-OLZOCXBDSA-N 1 0 266.360 2.197 10 0 CEAERO CCc1nn(C)c(CC)c1CN(C)C[C@H]1CCC[N@H+]1CC ZINC000123461828 187093306 /nfs/dbraw/zinc/09/33/06/187093306.db2.gz FCOBWBNOKDBZPZ-CQSZACIVSA-N 1 0 292.471 2.461 10 0 CEAERO Cn1cccc1C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000123492812 187095220 /nfs/dbraw/zinc/09/52/20/187095220.db2.gz GFICIUNYPAWCIQ-AWEZNQCLSA-N 1 0 271.364 2.058 10 0 CEAERO C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccncc1Br ZINC000631105672 351965226 /nfs/dbraw/zinc/96/52/26/351965226.db2.gz WESPQTSWILXOSI-KWQFWETISA-N 1 0 271.158 2.111 10 0 CEAERO O[C@@H](C[C@H]1CCC[N@@H+]1Cc1ncc[nH]1)c1ccccc1 ZINC000072867154 363172465 /nfs/dbraw/zinc/17/24/65/363172465.db2.gz TXXZPIWLXUPJAF-CABCVRRESA-N 1 0 271.364 2.498 10 0 CEAERO O[C@H]1CCCC[C@@H]1[NH+]1CCC(Nc2ccccn2)CC1 ZINC000132846645 187650348 /nfs/dbraw/zinc/65/03/48/187650348.db2.gz GLSMQXABTJVXEH-GJZGRUSLSA-N 1 0 275.396 2.261 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)C[NH2+]C(C)C)cc1F ZINC000094956488 539888312 /nfs/dbraw/zinc/88/83/12/539888312.db2.gz NZZQCFWTQRGURB-NSHDSACASA-N 1 0 252.333 2.309 10 0 CEAERO OCC[C@@H]1CC[N@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000252740912 539897187 /nfs/dbraw/zinc/89/71/87/539897187.db2.gz PDNWZCJIAUTZCE-UONOGXRCSA-N 1 0 261.365 2.257 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1cc(C)no1 ZINC000252693665 539893300 /nfs/dbraw/zinc/89/33/00/539893300.db2.gz PDECIHNETMOXCZ-KGLIPLIRSA-N 1 0 263.385 2.432 10 0 CEAERO CCN1CCO[C@H](C[NH2+]C2[C@H](C)CCC[C@H]2C)C1 ZINC000252761456 539899103 /nfs/dbraw/zinc/89/91/03/539899103.db2.gz XTNRPQPWTJDHHJ-MGPQQGTHSA-N 1 0 254.418 2.121 10 0 CEAERO CCC[NH2+][C@H]1CCN(C(=O)COC)c2ccccc21 ZINC000071324574 535191439 /nfs/dbraw/zinc/19/14/39/535191439.db2.gz FZCKMBDTVUVFTH-ZDUSSCGKSA-N 1 0 262.353 2.110 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(Cl)c(F)c2)C1 ZINC000152198981 188002390 /nfs/dbraw/zinc/00/23/90/188002390.db2.gz FLOYVYJGRAREQC-JTQLQIEISA-N 1 0 270.735 2.255 10 0 CEAERO CC[C@@H]1CN(c2ncccc2Br)CC[C@H]1[NH3+] ZINC000251657094 539984064 /nfs/dbraw/zinc/98/40/64/539984064.db2.gz GVVGPFAPWRKNLW-MWLCHTKSSA-N 1 0 284.201 2.408 10 0 CEAERO CC[C@H]1CN(c2ncccc2Br)CC[C@H]1[NH3+] ZINC000251657090 539984077 /nfs/dbraw/zinc/98/40/77/539984077.db2.gz GVVGPFAPWRKNLW-GXSJLCMTSA-N 1 0 284.201 2.408 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)Cc2cccs2)[C@@H](C)C1 ZINC000155347780 188199691 /nfs/dbraw/zinc/19/96/91/188199691.db2.gz LTVTZRAJFPTJAO-AAEUAGOBSA-N 1 0 266.410 2.136 10 0 CEAERO Cc1ccccc1OCCCN1CCO[C@H](C[NH+](C)C)C1 ZINC000155343223 188199743 /nfs/dbraw/zinc/19/97/43/188199743.db2.gz KMPWCQURNUBIIH-MRXNPFEDSA-N 1 0 292.423 2.026 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Cc2cc(F)ccc2F)C1 ZINC000155428242 188206000 /nfs/dbraw/zinc/20/60/00/188206000.db2.gz UYZCCARQEMICFJ-ABAIWWIYSA-N 1 0 296.361 2.352 10 0 CEAERO CCC[C@H](C(=O)Nc1ccc(C(N)=O)c(Cl)c1)[NH+](C)C ZINC000156878939 188286169 /nfs/dbraw/zinc/28/61/69/188286169.db2.gz CJDZRXLUWWJKBX-GFCCVEGCSA-N 1 0 297.786 2.108 10 0 CEAERO C[C@@H]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000251977084 539995275 /nfs/dbraw/zinc/99/52/75/539995275.db2.gz YLQOSCAZGMQTMX-ZOBORPQBSA-N 1 0 252.402 2.399 10 0 CEAERO C[C@H]([NH3+])C(=O)N1CCC(c2nc(C(C)(C)C)cs2)CC1 ZINC000157323812 188309400 /nfs/dbraw/zinc/30/94/00/188309400.db2.gz WLZZSMNBURUWTO-JTQLQIEISA-N 1 0 295.452 2.494 10 0 CEAERO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C1CC1 ZINC000073654695 363238962 /nfs/dbraw/zinc/23/89/62/363238962.db2.gz PAEVCKQQJMQJBA-JQWIXIFHSA-N 1 0 254.374 2.384 10 0 CEAERO CC[N@@H+]1C[C@H](C)N(C(=O)C[C@H]2CCCCC(=O)N2)C[C@H]1C ZINC000328675696 202005653 /nfs/dbraw/zinc/00/56/53/202005653.db2.gz QYZOSZNHAOGKRE-HZSPNIEDSA-N 1 0 295.427 2.217 10 0 CEAERO CC(C)[C@@H]1CN(C(=O)C[C@H]2CCCCC(=O)N2)CC[N@@H+]1C ZINC000328694217 202016299 /nfs/dbraw/zinc/01/62/99/202016299.db2.gz CVASMVNAZGEAHQ-KGLIPLIRSA-N 1 0 295.427 2.074 10 0 CEAERO C[C@H](C[NH3+])[C@@H](O)c1sccc1Br ZINC000083563892 540118436 /nfs/dbraw/zinc/11/84/36/540118436.db2.gz YNCVDLAKOOAPGM-IYSWYEEDSA-N 1 0 250.161 2.139 10 0 CEAERO CC(C)(C)OC(=O)N1CC(c2ccco2)=C[C@@H]([NH3+])C1 ZINC000675079458 540119490 /nfs/dbraw/zinc/11/94/90/540119490.db2.gz ZCJLWEUKNLDEHO-LLVKDONJSA-N 1 0 264.325 2.241 10 0 CEAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000271805160 191339187 /nfs/dbraw/zinc/33/91/87/191339187.db2.gz YDLPRPJVKXGGTA-MPKXVKKWSA-N 1 0 282.409 2.173 10 0 CEAERO CC[C@H](O)C[NH+]1CCN(Cc2ccc3ccccc3n2)CC1 ZINC000174087792 188881488 /nfs/dbraw/zinc/88/14/88/188881488.db2.gz JATNUNDXSINFIU-KRWDZBQOSA-N 1 0 299.418 2.123 10 0 CEAERO CCCOc1ccc([C@@H](C)NC(=O)C[C@@H](C)[NH3+])cc1 ZINC000261823837 540153756 /nfs/dbraw/zinc/15/37/56/540153756.db2.gz MQXOPCZJEINYLG-VXGBXAGGSA-N 1 0 264.369 2.390 10 0 CEAERO CCOc1cc(C)ccc1CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261683415 540150077 /nfs/dbraw/zinc/15/00/77/540150077.db2.gz HCWRPYWEMHOFOU-UKRRQHHQSA-N 1 0 290.407 2.385 10 0 CEAERO O[C@@H]1CCC[C@H]1[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000037693606 540168299 /nfs/dbraw/zinc/16/82/99/540168299.db2.gz IGCRRIDNILRNCF-HUUCEWRRSA-N 1 0 280.799 2.375 10 0 CEAERO CC(C)(C)OC(=O)NCC(C)(C)[NH2+]Cc1ccc(CO)o1 ZINC000174345465 188893417 /nfs/dbraw/zinc/89/34/17/188893417.db2.gz COWCATJOSGBRAS-UHFFFAOYSA-N 1 0 298.383 2.165 10 0 CEAERO C[C@H](COCc1ccccc1)[NH2+]Cc1ccc(CO)o1 ZINC000174619734 188909534 /nfs/dbraw/zinc/90/95/34/188909534.db2.gz LKYXQSBSVZPOAW-CYBMUJFWSA-N 1 0 275.348 2.467 10 0 CEAERO c1ccc2c(c1)CCN2CCC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000133599690 366239562 /nfs/dbraw/zinc/23/95/62/366239562.db2.gz RXLPKYNFYTUPDR-INIZCTEOSA-N 1 0 273.424 2.171 10 0 CEAERO [NH3+]C1(Cc2ccsc2Br)CSC1 ZINC000575472336 366291678 /nfs/dbraw/zinc/29/16/78/366291678.db2.gz WEQSNOAWSDQIIV-UHFFFAOYSA-N 1 0 264.213 2.497 10 0 CEAERO C[C@@H]1OCC[C@@H]1[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000134241686 366302650 /nfs/dbraw/zinc/30/26/50/366302650.db2.gz JCUPSLGGDMYXAP-JQWIXIFHSA-N 1 0 275.377 2.472 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cc(F)c(Cl)cc2F)C1 ZINC000134602156 366345769 /nfs/dbraw/zinc/34/57/69/366345769.db2.gz ACQKFEFNQPSDKJ-MRVPVSSYSA-N 1 0 288.725 2.394 10 0 CEAERO OC1(CC[N@@H+]2CCC[C@@H]2c2nc3c([nH]2)CCCC3)CC1 ZINC000329052012 202168806 /nfs/dbraw/zinc/16/88/06/202168806.db2.gz WRRBDXBNUITMOQ-CQSZACIVSA-N 1 0 275.396 2.340 10 0 CEAERO CC[N@@H+]1CCC[C@H](Nc2nc3ccccc3n2C)C1 ZINC000079045180 363569347 /nfs/dbraw/zinc/56/93/47/363569347.db2.gz ZEFMSEFTHPILFP-LBPRGKRZSA-N 1 0 258.369 2.470 10 0 CEAERO CCc1ccc(CNC(=O)[C@H]2CCC[C@H]2C[NH3+])s1 ZINC000227423241 538833698 /nfs/dbraw/zinc/83/36/98/538833698.db2.gz GXAALIVSAASCHO-GWCFXTLKSA-N 1 0 266.410 2.302 10 0 CEAERO CC(C)Cc1nnc(NC(=O)C[C@H]([NH3+])C(C)C)s1 ZINC000225809329 538881158 /nfs/dbraw/zinc/88/11/58/538881158.db2.gz XTVVAKILQGKQKP-VIFPVBQESA-N 1 0 270.402 2.049 10 0 CEAERO CC(C)CNC(=O)NCCCC1([NH3+])CCCCC1 ZINC000675072650 538896013 /nfs/dbraw/zinc/89/60/13/538896013.db2.gz BULBFCOBEHMXIA-UHFFFAOYSA-N 1 0 255.406 2.383 10 0 CEAERO COCCOc1ccccc1NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000153234413 538896038 /nfs/dbraw/zinc/89/60/38/538896038.db2.gz CXVYFSAGPNPYQW-QWHCGFSZSA-N 1 0 292.379 2.168 10 0 CEAERO C[C@H]1C[C@@H](C[NH3+])CN1c1cc(C(F)(F)F)ccn1 ZINC000216235580 538882621 /nfs/dbraw/zinc/88/26/21/538882621.db2.gz LHJKUMCJKUCICA-IUCAKERBSA-N 1 0 259.275 2.274 10 0 CEAERO O[C@H]1CCC[C@H]([NH2+]Cc2cncc(Br)c2)C1 ZINC000166496384 540304837 /nfs/dbraw/zinc/30/48/37/540304837.db2.gz DXBWHXNHZUVALD-RYUDHWBXSA-N 1 0 285.185 2.237 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@H](C)c2ccc(OC)cc2)C1 ZINC000157146150 540351475 /nfs/dbraw/zinc/35/14/75/540351475.db2.gz SSSMZTXFFLNQLU-CJNGLKHVSA-N 1 0 278.396 2.067 10 0 CEAERO NC(=O)[C@H]([NH2+]CC1CC1)c1ccc(C(F)(F)F)cc1 ZINC000038000904 283343727 /nfs/dbraw/zinc/34/37/27/283343727.db2.gz SGGOYAXQPKMJQP-LLVKDONJSA-N 1 0 272.270 2.231 10 0 CEAERO COc1cc(NC(=O)[C@@]2(C)CCC[NH2+]2)c(OC)cc1Cl ZINC000079510253 363611060 /nfs/dbraw/zinc/61/10/60/363611060.db2.gz OFNWAACIOKZSAJ-CQSZACIVSA-N 1 0 298.770 2.438 10 0 CEAERO CC[C@@]1(C)C[N@H+](C[C@@H](O)COCc2ccccc2)CCO1 ZINC000135606634 366460331 /nfs/dbraw/zinc/46/03/31/366460331.db2.gz CDABKHOFPQACAO-SJORKVTESA-N 1 0 293.407 2.065 10 0 CEAERO COc1cc(C[NH2+][C@@H]2CCCCC[C@H]2O)cc(OC)c1 ZINC000135619931 366461933 /nfs/dbraw/zinc/46/19/33/366461933.db2.gz SDCKOUCACIMPDU-HZPDHXFCSA-N 1 0 279.380 2.487 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]CCC(=O)NC(C)(C)C)c1C ZINC000135680191 366466369 /nfs/dbraw/zinc/46/63/69/366466369.db2.gz ADXPIGAGVBBBII-LLVKDONJSA-N 1 0 294.443 2.475 10 0 CEAERO CC1(C)CCC(NC(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000079677883 363620189 /nfs/dbraw/zinc/62/01/89/363620189.db2.gz RMVVOUGQXOJXMJ-GFCCVEGCSA-N 1 0 252.402 2.461 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CCC(C(F)(F)F)CC1 ZINC000094648671 291188562 /nfs/dbraw/zinc/18/85/62/291188562.db2.gz ZXDOLXUCVTXRGI-KOLCDFICSA-N 1 0 278.318 2.175 10 0 CEAERO Brc1ccc([C@]23CC[C@@H]2CC[NH2+]3)cn1 ZINC000685946637 540634403 /nfs/dbraw/zinc/63/44/03/540634403.db2.gz DFTVRRRTWPQBNY-KCJUWKMLSA-N 1 0 253.143 2.443 10 0 CEAERO [NH3+]C[C@@H]1CCCN(c2ccc(Br)cn2)C1 ZINC000044532038 283469314 /nfs/dbraw/zinc/46/93/14/283469314.db2.gz OWZKGPLWPOMABP-VIFPVBQESA-N 1 0 270.174 2.019 10 0 CEAERO NC(=O)C[C@@H]([NH2+][C@@H]1CCN(C2CC2)C1=O)C1CCCCC1 ZINC000329439297 202336837 /nfs/dbraw/zinc/33/68/37/202336837.db2.gz MOGBNIRYSHONBI-ZIAGYGMSSA-N 1 0 293.411 2.214 10 0 CEAERO CN1CCn2c(C(F)(F)F)ccc2C12CC[NH2+]CC2 ZINC000144332991 366571255 /nfs/dbraw/zinc/57/12/55/366571255.db2.gz KLGMTAAMYJGDAW-UHFFFAOYSA-N 1 0 273.302 2.031 10 0 CEAERO C[C@@H](NC[C@H](O)C[NH+]1CCCCC1)c1cccnc1Cl ZINC000151277585 366637150 /nfs/dbraw/zinc/63/71/50/366637150.db2.gz BWCJZAWATYGCLA-OLZOCXBDSA-N 1 0 297.830 2.232 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cccc(F)c1 ZINC000176963505 189017334 /nfs/dbraw/zinc/01/73/34/189017334.db2.gz KAIVGPLWJDIGNX-CQSZACIVSA-N 1 0 264.344 2.382 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C)Oc1ccccc1 ZINC000176974837 189017852 /nfs/dbraw/zinc/01/78/52/189017852.db2.gz XLQVCDRLLFCGQL-HUUCEWRRSA-N 1 0 290.407 2.397 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Cc1ccccc1C ZINC000177035226 189022673 /nfs/dbraw/zinc/02/26/73/189022673.db2.gz XCFPTFKHPICECF-MRXNPFEDSA-N 1 0 274.408 2.480 10 0 CEAERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2cncn2C)C1 ZINC000177058517 189025613 /nfs/dbraw/zinc/02/56/13/189025613.db2.gz RMCGLDWFIQKNEF-CYBMUJFWSA-N 1 0 273.384 2.016 10 0 CEAERO C[C@@H]1C[N@H+](Cc2cc(F)ccc2F)C[C@@H]1N1CCOCC1 ZINC000177249206 189039097 /nfs/dbraw/zinc/03/90/97/189039097.db2.gz PPHVWTDQQZNDMU-WBMJQRKESA-N 1 0 296.361 2.117 10 0 CEAERO CCOC[C@@H]1CCN(C(=O)N[C@H](CC(C)C)C[NH+](C)C)C1 ZINC000081479251 363721801 /nfs/dbraw/zinc/72/18/01/363721801.db2.gz BCNYNUWPEVWNAC-HUUCEWRRSA-N 1 0 299.459 2.031 10 0 CEAERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1cccnc1 ZINC000178316961 189106609 /nfs/dbraw/zinc/10/66/09/189106609.db2.gz RZVBNEKMYUZRJX-OAHLLOKOSA-N 1 0 256.353 2.251 10 0 CEAERO C[C@@H](C(=O)N[C@@H](C[NH+](C)C)c1ccccc1)C1CC1 ZINC000178398767 189113136 /nfs/dbraw/zinc/11/31/36/189113136.db2.gz MYVBBYMURILNNX-DOMZBBRYSA-N 1 0 260.381 2.452 10 0 CEAERO C[C@@H](O)C[N@@H+]1CCN(Cc2cc3ccccc3o2)C[C@@H]1C ZINC000178529635 189124176 /nfs/dbraw/zinc/12/41/76/189124176.db2.gz WEIUYTFACXSDAG-UONOGXRCSA-N 1 0 288.391 2.320 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]2CN(c3nccc(C(F)(F)F)n3)C[C@H]21 ZINC000228550302 283580005 /nfs/dbraw/zinc/58/00/05/283580005.db2.gz RJDYTSOYSVLJPX-OPRDCNLKSA-N 1 0 286.301 2.059 10 0 CEAERO CC[N@H+](Cc1cnn(C)c1)Cc1ccc2c[nH]nc2c1 ZINC000179587797 189204800 /nfs/dbraw/zinc/20/48/00/189204800.db2.gz UTMJRULIFKIUGF-UHFFFAOYSA-N 1 0 269.352 2.319 10 0 CEAERO c1nn2ccccc2c1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000179677496 189212715 /nfs/dbraw/zinc/21/27/15/189212715.db2.gz MQGKAAAMJPEREK-OAHLLOKOSA-N 1 0 270.380 2.004 10 0 CEAERO COc1c(C[NH2+]CCC2(F)CCC2)c(C)nn1C ZINC000342194928 216253582 /nfs/dbraw/zinc/25/35/82/216253582.db2.gz FKHJYOIMSFQTNI-UHFFFAOYSA-N 1 0 255.337 2.109 10 0 CEAERO CC[C@@H](C)[NH2+][C@H](CC(C)C)c1nc(-c2nc[nH]n2)no1 ZINC000179804706 189221332 /nfs/dbraw/zinc/22/13/32/189221332.db2.gz IAIKHMYLWMRGFW-NXEZZACHSA-N 1 0 278.360 2.330 10 0 CEAERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)C(C)C)ncn1 ZINC000180576301 189263143 /nfs/dbraw/zinc/26/31/43/189263143.db2.gz SONALZIQSLZSKL-QWHCGFSZSA-N 1 0 277.416 2.121 10 0 CEAERO O=C([C@H]1CC[NH2+]C1)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000152509340 366700495 /nfs/dbraw/zinc/70/04/95/366700495.db2.gz UVGSCZGGWDDLOH-BBRMVZONSA-N 1 0 270.376 2.274 10 0 CEAERO CCC(CC)C[NH+]1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000153910250 366743443 /nfs/dbraw/zinc/74/34/43/366743443.db2.gz KJRKLQNEJPIJAO-LBPRGKRZSA-N 1 0 280.416 2.493 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)N[C@@H]1CCc2cc(F)ccc21 ZINC000236989558 370672796 /nfs/dbraw/zinc/67/27/96/370672796.db2.gz SETZTOJYQOZNAO-CHWSQXEVSA-N 1 0 250.317 2.057 10 0 CEAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)Cc1ccccc1O ZINC000083704964 363784766 /nfs/dbraw/zinc/78/47/66/363784766.db2.gz WXGLXVLPLKTVAK-UKRRQHHQSA-N 1 0 288.391 2.020 10 0 CEAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)Cc1cccc(O)c1 ZINC000083704977 363785484 /nfs/dbraw/zinc/78/54/84/363785484.db2.gz HCCXBICFBVFEPO-UKRRQHHQSA-N 1 0 288.391 2.020 10 0 CEAERO CC(C)Cc1ccc(C[NH2+]C[C@H]2CN(C)CCO2)cc1 ZINC000083552792 363779750 /nfs/dbraw/zinc/77/97/50/363779750.db2.gz ALIBQPPNHOWBMN-KRWDZBQOSA-N 1 0 276.424 2.305 10 0 CEAERO CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccnc(O[C@@H](C)CC)c1 ZINC000183068322 189345019 /nfs/dbraw/zinc/34/50/19/189345019.db2.gz KPJRCVXIRXEPEH-XUJVJEKNSA-N 1 0 293.411 2.249 10 0 CEAERO CCC(CC)[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])[C@@H](C)CC)CCO1 ZINC000183086506 189346121 /nfs/dbraw/zinc/34/61/21/189346121.db2.gz JITVUBKFQWEOJP-ATGSNQNLSA-N 1 0 284.444 2.460 10 0 CEAERO [NH3+]C[C@H](C1CCCCC1)N1C(=O)c2ccccc2C1=O ZINC000155864022 366823616 /nfs/dbraw/zinc/82/36/16/366823616.db2.gz DDDAKLTVPSRTDX-CQSZACIVSA-N 1 0 272.348 2.190 10 0 CEAERO CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@@H]1[C@H](C)[NH3+] ZINC000013760488 361442213 /nfs/dbraw/zinc/44/22/13/361442213.db2.gz JZWQQSJMOZMVFS-BJJXKVORSA-N 1 0 260.381 2.160 10 0 CEAERO [NH3+]C[C@@H](O)CN(Cc1ccco1)Cc1ccc(Cl)cc1 ZINC000026509425 361641978 /nfs/dbraw/zinc/64/19/78/361641978.db2.gz KGOJQLWIHSZINB-CQSZACIVSA-N 1 0 294.782 2.255 10 0 CEAERO CC(C)[NH2+]C[C@H](O)COc1cc(O)cc2ccccc21 ZINC000026842906 361645980 /nfs/dbraw/zinc/64/59/80/361645980.db2.gz RCVRLPVUJIGYMC-AWEZNQCLSA-N 1 0 275.348 2.283 10 0 CEAERO CCOc1cc(OC)c(C[C@H]([NH3+])CC)cc1OC ZINC000029390730 361684266 /nfs/dbraw/zinc/68/42/66/361684266.db2.gz IFHFZYCBFHDQCO-LLVKDONJSA-N 1 0 253.342 2.382 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](c2cccc(Br)c2)O1 ZINC000032108964 361726441 /nfs/dbraw/zinc/72/64/41/361726441.db2.gz QBQFLRSLORLINS-GZMMTYOYSA-N 1 0 256.143 2.499 10 0 CEAERO CC(C)(C)OC(=O)Nc1ccccc1OCC[NH3+] ZINC000032107559 361727413 /nfs/dbraw/zinc/72/74/13/361727413.db2.gz BPPSHXHYSRQGSH-UHFFFAOYSA-N 1 0 252.314 2.371 10 0 CEAERO C[NH+](C)C[C@H](NC(=O)c1ccoc1)c1ccccc1 ZINC000032216370 361733703 /nfs/dbraw/zinc/73/37/03/361733703.db2.gz MDEWPEDRNRYTBT-AWEZNQCLSA-N 1 0 258.321 2.312 10 0 CEAERO CC1(C)CCCN(C(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000087657758 363866647 /nfs/dbraw/zinc/86/66/47/363866647.db2.gz KRNYHXUEVNDZKC-ZDUSSCGKSA-N 1 0 252.402 2.415 10 0 CEAERO CN1CCO[C@@H](C[NH2+]Cc2cc(Cl)ccc2Cl)C1 ZINC000088077797 363876501 /nfs/dbraw/zinc/87/65/01/363876501.db2.gz IJKDUYQSXXZQOD-LBPRGKRZSA-N 1 0 289.206 2.414 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@H]2CCCC[C@@H]2C2CC2)C1 ZINC000679576418 541292983 /nfs/dbraw/zinc/29/29/83/541292983.db2.gz GHNIEKLKRBDMDB-OAGGEKHMSA-N 1 0 266.429 2.266 10 0 CEAERO CC[NH+]1CCN(c2ccc(-c3ccccn3)cn2)CC1 ZINC000088343340 363890627 /nfs/dbraw/zinc/89/06/27/363890627.db2.gz JYVVEBOVNWBPRO-UHFFFAOYSA-N 1 0 268.364 2.286 10 0 CEAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000089161494 363942222 /nfs/dbraw/zinc/94/22/22/363942222.db2.gz OVIVMDDCTFPTCC-BXUZGUMPSA-N 1 0 289.404 2.456 10 0 CEAERO CCOc1cc(C[NH2+]C[C@H]2CCC[C@H]2O)ccc1OC ZINC000089164463 363943323 /nfs/dbraw/zinc/94/33/23/363943323.db2.gz CZGONBJJWDQBOH-ZIAGYGMSSA-N 1 0 279.380 2.345 10 0 CEAERO Cc1ccc(F)c(C(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)c1 ZINC000089710202 363994773 /nfs/dbraw/zinc/99/47/73/363994773.db2.gz FXLRYFDZMKNPOP-SMDDNHRTSA-N 1 0 264.344 2.156 10 0 CEAERO CCc1onc(C)c1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000093093939 364141576 /nfs/dbraw/zinc/14/15/76/364141576.db2.gz FYJOHMOXGNONRN-CMPLNLGQSA-N 1 0 292.383 2.246 10 0 CEAERO [NH3+]C[C@@H]1CCCN1C(=O)CCc1cc(Cl)cs1 ZINC000237944232 370761456 /nfs/dbraw/zinc/76/14/56/370761456.db2.gz MTNHYNQROFEMPU-JTQLQIEISA-N 1 0 272.801 2.284 10 0 CEAERO COc1c(C[N@@H+]2CCS[C@H](C(C)C)C2)c(C)nn1C ZINC000093869237 364235069 /nfs/dbraw/zinc/23/50/69/364235069.db2.gz JBRRRMZNBRNTPD-ZDUSSCGKSA-N 1 0 283.441 2.311 10 0 CEAERO CCC[C@H](C(=O)Nc1ccc2nccnc2c1)[NH+](C)C ZINC000094018071 364248108 /nfs/dbraw/zinc/24/81/08/364248108.db2.gz IELYMXNUVNJPQP-CQSZACIVSA-N 1 0 272.352 2.299 10 0 CEAERO Clc1cc(OCCC[C@@H]2CCCC[NH2+]2)ncn1 ZINC000095069827 364330137 /nfs/dbraw/zinc/33/01/37/364330137.db2.gz KGCRIEQAEPXAMJ-JTQLQIEISA-N 1 0 255.749 2.431 10 0 CEAERO Clc1nccc(OCCC[C@H]2CCCC[NH2+]2)n1 ZINC000095070348 364330788 /nfs/dbraw/zinc/33/07/88/364330788.db2.gz VGZISGKEPSGPQT-SNVBAGLBSA-N 1 0 255.749 2.431 10 0 CEAERO Cc1cc(N(C)C[C@@H]2CCCC[NH2+]2)nc(Cl)n1 ZINC000095070780 364330884 /nfs/dbraw/zinc/33/08/84/364330884.db2.gz RSFVLEKUBHPSOJ-JTQLQIEISA-N 1 0 254.765 2.017 10 0 CEAERO Cc1ccsc1C(=O)N(C)C[C@@H]1CCCC[NH2+]1 ZINC000095070748 364330989 /nfs/dbraw/zinc/33/09/89/364330989.db2.gz YERYPXWDQCQREN-NSHDSACASA-N 1 0 252.383 2.271 10 0 CEAERO CSc1nc(Cl)cc(N[C@H]2CCC[NH2+]C2)n1 ZINC000095071763 364332267 /nfs/dbraw/zinc/33/22/67/364332267.db2.gz HQBJYUZZKQKRTI-ZETCQYMHSA-N 1 0 258.778 2.016 10 0 CEAERO CSc1nccnc1COCCCC1CC[NH2+]CC1 ZINC000095071964 364332324 /nfs/dbraw/zinc/33/23/24/364332324.db2.gz XFWZIANWPWUBLX-UHFFFAOYSA-N 1 0 281.425 2.495 10 0 CEAERO CSc1nccnc1COCCC1CC[NH2+]CC1 ZINC000095071959 364332349 /nfs/dbraw/zinc/33/23/49/364332349.db2.gz BITDHVQDQVPIQF-UHFFFAOYSA-N 1 0 267.398 2.105 10 0 CEAERO CSc1nc(Cl)cc(N(C)C[C@@H]2CCC[NH2+]C2)n1 ZINC000095071743 364332381 /nfs/dbraw/zinc/33/23/81/364332381.db2.gz XRIAUNAVRXFGDE-SECBINFHSA-N 1 0 286.832 2.288 10 0 CEAERO O=[S@@](c1nc2ccccc2s1)C1CC[NH2+]CC1 ZINC000095073423 364333251 /nfs/dbraw/zinc/33/32/51/364333251.db2.gz ACVYRVKGCCTXKX-KRWDZBQOSA-N 1 0 266.391 2.156 10 0 CEAERO Brc1ccc(COCC2CC[NH2+]CC2)cn1 ZINC000095092344 364339028 /nfs/dbraw/zinc/33/90/28/364339028.db2.gz XHORBXDHZHXYQF-UHFFFAOYSA-N 1 0 285.185 2.360 10 0 CEAERO Brc1ccc(COC[C@H]2CCC[NH2+]2)cn1 ZINC000095092437 364339406 /nfs/dbraw/zinc/33/94/06/364339406.db2.gz ZQXLCJLEGYNAOE-SNVBAGLBSA-N 1 0 271.158 2.113 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+][C@@H](C)CCCO)c1C ZINC000094942435 364309550 /nfs/dbraw/zinc/30/95/50/364309550.db2.gz LNZACWCSQXPJSB-QWRGUYRKSA-N 1 0 253.390 2.331 10 0 CEAERO COc1ccc(Cc2noc([C@@H]3CC[C@H]([NH3+])C3)n2)cc1 ZINC000097067995 364439842 /nfs/dbraw/zinc/43/98/42/364439842.db2.gz ZYZTYEVPCQZAFE-NEPJUHHUSA-N 1 0 273.336 2.264 10 0 CEAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1cccc(F)c1N ZINC000156399453 366832299 /nfs/dbraw/zinc/83/22/99/366832299.db2.gz JBFFCFNERCOWRT-GXTWGEPZSA-N 1 0 277.387 2.467 10 0 CEAERO COCc1ccc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)o1 ZINC000097359376 364492725 /nfs/dbraw/zinc/49/27/25/364492725.db2.gz JTULYTGTOCJEOG-GFCCVEGCSA-N 1 0 282.384 2.132 10 0 CEAERO CCc1nc(CC(=O)N[C@H](CC(C)C)C[NH+](C)C)cs1 ZINC000098035854 364524893 /nfs/dbraw/zinc/52/48/93/364524893.db2.gz LITWTDAGRHESKU-GFCCVEGCSA-N 1 0 297.468 2.341 10 0 CEAERO CC[N@H+](CCNC(=O)N[C@H](C)c1ccc(C)o1)C1CC1 ZINC000101976039 364581411 /nfs/dbraw/zinc/58/14/11/364581411.db2.gz MRTSUDOCCLIRRS-GFCCVEGCSA-N 1 0 279.384 2.433 10 0 CEAERO C[C@H]1CC[NH2+]C[C@H]1Nc1cncc(Br)c1 ZINC000335658451 212377860 /nfs/dbraw/zinc/37/78/60/212377860.db2.gz ULDUZRYEUQSRDF-GZMMTYOYSA-N 1 0 270.174 2.254 10 0 CEAERO CCCCNC(=O)C[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000102682221 364605664 /nfs/dbraw/zinc/60/56/64/364605664.db2.gz UBYBNGJWOZQSCO-GFCCVEGCSA-N 1 0 292.379 2.025 10 0 CEAERO COC[C@H](C)C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000103430712 364651922 /nfs/dbraw/zinc/65/19/22/364651922.db2.gz GFUMIGBPCBDBKQ-KKUMJFAQSA-N 1 0 284.444 2.143 10 0 CEAERO CCC[C@H](C(=O)N[C@H]1CCOC2(CCCC2)C1)[NH+](C)C ZINC000159231889 283791940 /nfs/dbraw/zinc/79/19/40/283791940.db2.gz LQCOFFZTYKKDFJ-UONOGXRCSA-N 1 0 282.428 2.325 10 0 CEAERO CC[C@@H]1C[N@H+](CCc2ccccc2)CCN1CCOC ZINC000105836396 364702304 /nfs/dbraw/zinc/70/23/04/364702304.db2.gz XJPKUPOBFGHHQV-QGZVFWFLSA-N 1 0 276.424 2.272 10 0 CEAERO CC(C)C[C@H](C[NH3+])Nc1ncnc2ccsc21 ZINC000111377053 364732539 /nfs/dbraw/zinc/73/25/39/364732539.db2.gz DKQXLCIUTXLZSS-SECBINFHSA-N 1 0 250.371 2.477 10 0 CEAERO C[C@@H]([NH3+])[C@@H]1CCCN(c2cnc3ccccc3n2)C1 ZINC000111715855 364755950 /nfs/dbraw/zinc/75/59/50/364755950.db2.gz SDATYBDIBFSIAL-VXGBXAGGSA-N 1 0 256.353 2.193 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccnc1Cl ZINC000113367371 364890716 /nfs/dbraw/zinc/89/07/16/364890716.db2.gz HTNXESBCEIJNCJ-GHMZBOCLSA-N 1 0 294.786 2.435 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC000113232939 364877930 /nfs/dbraw/zinc/87/79/30/364877930.db2.gz BOOJVSRTQZWOIZ-VXGBXAGGSA-N 1 0 290.411 2.016 10 0 CEAERO CC(=O)Nc1cccc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000113270148 364881833 /nfs/dbraw/zinc/88/18/33/364881833.db2.gz VMFGTUQODFLIFR-SUMWQHHRSA-N 1 0 287.407 2.314 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc2c(c1)OCCO2 ZINC000113271420 364881933 /nfs/dbraw/zinc/88/19/33/364881933.db2.gz ZFWXEJATWJTJNN-UKRRQHHQSA-N 1 0 288.391 2.126 10 0 CEAERO COc1c(C)cnc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1C ZINC000113270805 364882407 /nfs/dbraw/zinc/88/24/07/364882407.db2.gz SQTNRICLTRVFLI-ZFWWWQNUSA-N 1 0 289.423 2.376 10 0 CEAERO CC1(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)CC[NH2+]CC1 ZINC000193376925 189642268 /nfs/dbraw/zinc/64/22/68/189642268.db2.gz MQTCWBXRUSLSOR-KGLIPLIRSA-N 1 0 264.413 2.461 10 0 CEAERO O=C(C[C@H]1CC[NH2+]C1)N1CCCC[C@@H]1c1nccs1 ZINC000335789029 364985259 /nfs/dbraw/zinc/98/52/59/364985259.db2.gz KJKMFYKIXQZIGT-VXGBXAGGSA-N 1 0 279.409 2.196 10 0 CEAERO [NH3+]C[C@@H]1CC[C@@H](Nc2ncccc2Br)C1 ZINC000335577347 212289091 /nfs/dbraw/zinc/28/90/91/212289091.db2.gz CJDHJICFHHFGKJ-RKDXNWHRSA-N 1 0 270.174 2.383 10 0 CEAERO CCCNC(=O)[C@H](C)N1CCC[C@@H]1c1ccco1 ZINC000116294122 365049182 /nfs/dbraw/zinc/04/91/82/365049182.db2.gz QLTXJDWARCCZGD-NWDGAFQWSA-N 1 0 250.342 2.331 10 0 CEAERO Cc1cccc(NC(=O)CN2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000116310990 365050121 /nfs/dbraw/zinc/05/01/21/365050121.db2.gz NEEAOLJZZLHEAY-CQSZACIVSA-N 1 0 298.390 2.157 10 0 CEAERO Cc1noc(C)c1C[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116318519 365051572 /nfs/dbraw/zinc/05/15/72/365051572.db2.gz HPIQUPKNMVABMZ-LBPRGKRZSA-N 1 0 260.341 2.014 10 0 CEAERO COC(=O)CCC[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000116399424 365053265 /nfs/dbraw/zinc/05/32/65/365053265.db2.gz AMYNGAILYRPLIN-CYBMUJFWSA-N 1 0 279.384 2.127 10 0 CEAERO C[C@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CCCO1 ZINC000116417979 365055033 /nfs/dbraw/zinc/05/50/33/365055033.db2.gz BXKPGHJWLUXIRN-MJBXVCDLSA-N 1 0 299.459 2.220 10 0 CEAERO C[C@H]1C[C@@H]1NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115844599 365028676 /nfs/dbraw/zinc/02/86/76/365028676.db2.gz SZKXGRMTYXGGEX-HZMBPMFUSA-N 1 0 279.359 2.095 10 0 CEAERO CC[C@@H]1CN(C(=O)CC2=CCCCC2)CC[N@@H+]1CCOC ZINC000117303011 365100350 /nfs/dbraw/zinc/10/03/50/365100350.db2.gz PRUOFROLAZVEFQ-MRXNPFEDSA-N 1 0 294.439 2.446 10 0 CEAERO CC(C)[C@H]1CCCC[N@@H+]1Cc1nnnn1C(C)C ZINC000117349600 365104097 /nfs/dbraw/zinc/10/40/97/365104097.db2.gz KRSUPHCCGWXRAV-GFCCVEGCSA-N 1 0 251.378 2.265 10 0 CEAERO CCC[C@@H](CC)NC(=O)N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000117486460 365109642 /nfs/dbraw/zinc/10/96/42/365109642.db2.gz SFAQPBVQMZJUKO-HUUCEWRRSA-N 1 0 299.459 2.317 10 0 CEAERO CCCCOCC(=O)N1CCC[C@H](n2ccnc2CC)C1 ZINC000118334272 365149799 /nfs/dbraw/zinc/14/97/99/365149799.db2.gz JPHTZDYWPASXRU-AWEZNQCLSA-N 1 0 293.411 2.426 10 0 CEAERO CC[C@](C)(O)C[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000119396013 365266863 /nfs/dbraw/zinc/26/68/63/365266863.db2.gz VFEPRZHQGOOSIO-INIZCTEOSA-N 1 0 262.397 2.278 10 0 CEAERO CCc1noc(C)c1C[N@@H+]1CCC[C@@H]1CCCO ZINC000119212965 365237106 /nfs/dbraw/zinc/23/71/06/365237106.db2.gz XSCPHSOBHDWGOZ-GFCCVEGCSA-N 1 0 252.358 2.282 10 0 CEAERO COc1ccc(C(=O)N[C@H](C[NH3+])C2CC2)c2ccccc12 ZINC000159148315 366881780 /nfs/dbraw/zinc/88/17/80/366881780.db2.gz IODGNBGLNCJBCI-OAHLLOKOSA-N 1 0 284.359 2.316 10 0 CEAERO COCCN1CC[N@H+](Cc2ccc(C)s2)C[C@H]1C ZINC000120797866 365476409 /nfs/dbraw/zinc/47/64/09/365476409.db2.gz LWMWIFJVXBMCHL-GFCCVEGCSA-N 1 0 268.426 2.209 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC(=O)C[C@@H]1C ZINC000120522534 365437361 /nfs/dbraw/zinc/43/73/61/365437361.db2.gz FKUZPPRXGRVXGS-LZWOXQAQSA-N 1 0 294.439 2.228 10 0 CEAERO C[C@@H](O)C[N@@H+]1CCN(Cc2coc3ccccc23)C[C@H]1C ZINC000120592417 365447937 /nfs/dbraw/zinc/44/79/37/365447937.db2.gz PYSDVJCZMCAXKF-ZIAGYGMSSA-N 1 0 288.391 2.320 10 0 CEAERO O=C(NCC1CC[NH2+]CC1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000120607516 365449576 /nfs/dbraw/zinc/44/95/76/365449576.db2.gz AMMBGVTVRRWHKD-STQMWFEESA-N 1 0 294.345 2.184 10 0 CEAERO C[C@@H](O)CN1CC[N@H+](CC2CCC(C)CC2)C[C@H]1C ZINC000120672899 365458787 /nfs/dbraw/zinc/45/87/87/365458787.db2.gz UYCCRWXPTHQYOP-LVDPKSTMSA-N 1 0 268.445 2.200 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC(C)(CC)CC)C1 ZINC000121099963 365523535 /nfs/dbraw/zinc/52/35/35/365523535.db2.gz BITDKIXBPWOTJQ-GFCCVEGCSA-N 1 0 255.406 2.349 10 0 CEAERO CSCCCCNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000121095130 365523819 /nfs/dbraw/zinc/52/38/19/365523819.db2.gz HHXRRRHZEIKRQG-OLZOCXBDSA-N 1 0 287.473 2.158 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)c1cccc(F)c1F ZINC000282484024 299360874 /nfs/dbraw/zinc/36/08/74/299360874.db2.gz XAXZMZCAPKTKLG-HOTUBEGUSA-N 1 0 268.307 2.283 10 0 CEAERO CC[C@H](C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)c1ccccc1 ZINC000638883857 370818536 /nfs/dbraw/zinc/81/85/36/370818536.db2.gz BRRSOKGKEFKUEG-YUELXQCFSA-N 1 0 260.381 2.233 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)c1cccnc1 ZINC000245429285 370818832 /nfs/dbraw/zinc/81/88/32/370818832.db2.gz KEZBOUPQSIZZMB-UKRRQHHQSA-N 1 0 275.396 2.128 10 0 CEAERO C[C@H]1CN(C(=O)CCSc2ccccc2F)C[C@@H]1C[NH3+] ZINC000638885622 370819261 /nfs/dbraw/zinc/81/92/61/370819261.db2.gz DBCQANHZRSHLMB-RYUDHWBXSA-N 1 0 296.411 2.361 10 0 CEAERO Cc1c2ccccc2oc1C(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638884650 370819512 /nfs/dbraw/zinc/81/95/12/370819512.db2.gz IGLXCCHICSUVKP-CMPLNLGQSA-N 1 0 272.348 2.408 10 0 CEAERO C[C@H]1CN(C(=O)CCSc2ccccc2F)C[C@H]1C[NH3+] ZINC000638885621 370819703 /nfs/dbraw/zinc/81/97/03/370819703.db2.gz DBCQANHZRSHLMB-NWDGAFQWSA-N 1 0 296.411 2.361 10 0 CEAERO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)C[C@H]1C[NH3+] ZINC000638887082 370822052 /nfs/dbraw/zinc/82/20/52/370822052.db2.gz CXKGLXXQLCNOPD-DDHJBXDOSA-N 1 0 292.345 2.408 10 0 CEAERO CCC[C@@H](C(=O)N[C@H](C)CCc1cccn1C)[NH+](C)C ZINC000162311506 367151838 /nfs/dbraw/zinc/15/18/38/367151838.db2.gz UDQIFNHJXHSUMJ-HIFRSBDPSA-N 1 0 279.428 2.193 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C(=O)OC)c1ccccc1 ZINC000245474057 370826457 /nfs/dbraw/zinc/82/64/57/370826457.db2.gz QMGVLZQJJYUDNQ-JKSUJKDBSA-N 1 0 290.407 2.317 10 0 CEAERO CC1(C)C[C@@H]([NH2+]CC2(O)CCOCC2)c2ccccc2O1 ZINC000163142730 367220730 /nfs/dbraw/zinc/22/07/30/367220730.db2.gz SSLAXOGIHZESLW-CQSZACIVSA-N 1 0 291.391 2.420 10 0 CEAERO C[C@H](C[NH3+])N(C)c1ncc(Cl)cc1Br ZINC000162903466 367201991 /nfs/dbraw/zinc/20/19/91/367201991.db2.gz FJKQMTVPFSTBET-ZCFIWIBFSA-N 1 0 278.581 2.281 10 0 CEAERO CC[C@H](O)C[NH+]1CCN(Cc2ccc(C)cc2C)CC1 ZINC000164036244 367274848 /nfs/dbraw/zinc/27/48/48/367274848.db2.gz IDBCPXORWWDMOB-KRWDZBQOSA-N 1 0 276.424 2.192 10 0 CEAERO CC[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccccc1F ZINC000164074767 367275960 /nfs/dbraw/zinc/27/59/60/367275960.db2.gz YWBUKSONFGKZNL-IUODEOHRSA-N 1 0 266.360 2.197 10 0 CEAERO FC(F)(F)c1ccc(NC[C@H]2CCCC[NH2+]2)nn1 ZINC000167110828 367335970 /nfs/dbraw/zinc/33/59/70/367335970.db2.gz JLBBJXOQOSZOEO-MRVPVSSYSA-N 1 0 260.263 2.049 10 0 CEAERO CC(C)n1cc([C@H](C)N[C@H]2CCCn3ncnc32)cn1 ZINC000164789393 367296329 /nfs/dbraw/zinc/29/63/29/367296329.db2.gz VSYMINKSBLUEIP-AAEUAGOBSA-N 1 0 274.372 2.241 10 0 CEAERO CC/C=C\CCN1CC[N@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000342252628 367397739 /nfs/dbraw/zinc/39/77/39/367397739.db2.gz SRLFQCYCRUFXBZ-NHQLZKDQSA-N 1 0 254.418 2.120 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccc(-n3cccn3)cc2)C1 ZINC000171074598 367471100 /nfs/dbraw/zinc/47/11/00/367471100.db2.gz ULKYPGXZCRWQQY-HNNXBMFYSA-N 1 0 299.378 2.040 10 0 CEAERO Cc1cccc(C)c1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000171070939 367471487 /nfs/dbraw/zinc/47/14/87/367471487.db2.gz IQPUGPNCXAAVLP-CYBMUJFWSA-N 1 0 261.369 2.471 10 0 CEAERO COc1cc(C)ccc1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000171080627 367473653 /nfs/dbraw/zinc/47/36/53/367473653.db2.gz DPOILRNTHXOIFB-GFCCVEGCSA-N 1 0 277.368 2.171 10 0 CEAERO Cc1cc(C)c(CNC(=O)N2CC[C@@H]([NH+](C)C)C2)c(C)c1 ZINC000170835164 367429380 /nfs/dbraw/zinc/42/93/80/367429380.db2.gz UEGADPMOIAKBDE-OAHLLOKOSA-N 1 0 289.423 2.457 10 0 CEAERO CCCc1ccc(C(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000170855348 367430836 /nfs/dbraw/zinc/43/08/36/367430836.db2.gz MKQYKWLKBMSWKQ-HNNXBMFYSA-N 1 0 260.381 2.415 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cccc3ncccc32)C1 ZINC000170856412 367433117 /nfs/dbraw/zinc/43/31/17/367433117.db2.gz FKQDKXYYNPLTDV-GFCCVEGCSA-N 1 0 269.348 2.011 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)no2)C1 ZINC000170865905 367436225 /nfs/dbraw/zinc/43/62/25/367436225.db2.gz CYPHZEJZWXSHOO-CYBMUJFWSA-N 1 0 285.347 2.118 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)CCCOc2cccc(F)c2)C1 ZINC000170864670 367436598 /nfs/dbraw/zinc/43/65/98/367436598.db2.gz DKUZSPWSJVNCSU-CQSZACIVSA-N 1 0 294.370 2.147 10 0 CEAERO CCS[C@@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C(C)C ZINC000171192335 367495395 /nfs/dbraw/zinc/49/53/95/367495395.db2.gz OREYXSXAWDNIAB-CHWSQXEVSA-N 1 0 270.442 2.071 10 0 CEAERO CCOC(=O)CCC[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171037646 367466117 /nfs/dbraw/zinc/46/61/17/367466117.db2.gz YHGKDECDGJPVRM-CQSZACIVSA-N 1 0 291.395 2.159 10 0 CEAERO Cc1nc(C[C@H]2CCC[N@H+](CCc3ccncc3)C2)no1 ZINC000171503577 367556968 /nfs/dbraw/zinc/55/69/68/367556968.db2.gz QVBFUSNYWKBDOL-OAHLLOKOSA-N 1 0 286.379 2.270 10 0 CEAERO Cc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1Cl ZINC000171302968 367519313 /nfs/dbraw/zinc/51/93/13/367519313.db2.gz VQLWJKBNNYMERC-GFCCVEGCSA-N 1 0 266.772 2.425 10 0 CEAERO Cc1ccc(Cl)cc1NC(=O)CN1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631843013 367585957 /nfs/dbraw/zinc/58/59/57/367585957.db2.gz IKRGJDDLMGGDEL-NEPJUHHUSA-N 1 0 295.814 2.114 10 0 CEAERO O[C@@H](CN1CC[NH+]([C@@H]2C=CCCC2)CC1)c1ccccc1 ZINC000171746066 367608262 /nfs/dbraw/zinc/60/82/62/367608262.db2.gz FMZJYKDAFFOJAS-MSOLQXFVSA-N 1 0 286.419 2.446 10 0 CEAERO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2)CCS1 ZINC000171685967 367593415 /nfs/dbraw/zinc/59/34/15/367593415.db2.gz WSBNMYHJZBMSEU-LBPRGKRZSA-N 1 0 264.394 2.453 10 0 CEAERO O=C(Nc1ccc2[nH]ccc2c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171892339 367634347 /nfs/dbraw/zinc/63/43/47/367634347.db2.gz IDURQWUVLNIAMK-CQSZACIVSA-N 1 0 284.363 2.480 10 0 CEAERO 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[NH3+][C@@H]1CCC[C@@H](CNC(=O)Nc2ccccc2F)C1 ZINC000227624025 189786550 /nfs/dbraw/zinc/78/65/50/189786550.db2.gz SGRUMUXYTNUEPE-GHMZBOCLSA-N 1 0 265.332 2.465 10 0 CEAERO COc1ccc2oc(CN3CCCNC(=O)[C@H]3C)cc2c1 ZINC000189098390 369456433 /nfs/dbraw/zinc/45/64/33/369456433.db2.gz HMPGAFKRNCBAFY-LLVKDONJSA-N 1 0 288.347 2.152 10 0 CEAERO Cc1cc(C)cc(C[N@@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000246367330 370952033 /nfs/dbraw/zinc/95/20/33/370952033.db2.gz HDXBERJFKXDKFH-WMZOPIPTSA-N 1 0 288.435 2.456 10 0 CEAERO C[C@H]1C[N@H+](Cc2cccc(Cl)c2)C[C@H]1N1CCOCC1 ZINC000246379511 370953452 /nfs/dbraw/zinc/95/34/52/370953452.db2.gz IBPKVGWZYCVLAO-XJKSGUPXSA-N 1 0 294.826 2.493 10 0 CEAERO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2)C[C@H]1N1CCOCC1 ZINC000246379504 370953490 /nfs/dbraw/zinc/95/34/90/370953490.db2.gz IBPKVGWZYCVLAO-CZUORRHYSA-N 1 0 294.826 2.493 10 0 CEAERO CN(Cc1ccncc1Br)C[C@H]1CC[N@H+](C)C1 ZINC000639081780 370954501 /nfs/dbraw/zinc/95/45/01/370954501.db2.gz TXRBFEOJWGOWIC-NSHDSACASA-N 1 0 298.228 2.228 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2csc(Cl)c2)C1 ZINC000189241052 369481341 /nfs/dbraw/zinc/48/13/41/369481341.db2.gz HYJTYMUOVRFXJW-SECBINFHSA-N 1 0 258.774 2.178 10 0 CEAERO [NH3+][C@@H]1CCC[C@H](C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000246558790 370976969 /nfs/dbraw/zinc/97/69/69/370976969.db2.gz UHQKHSUPRDVQAE-PMOUVXMZSA-N 1 0 276.355 2.315 10 0 CEAERO Cc1nc(Cl)ccc1C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000246597275 370982108 /nfs/dbraw/zinc/98/21/08/370982108.db2.gz GZQMVRXHNNGSLI-ZYHUDNBSSA-N 1 0 293.798 2.352 10 0 CEAERO CC[C@@H](C)c1ccc(S(=O)(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000246582922 370981621 /nfs/dbraw/zinc/98/16/21/370981621.db2.gz ZMJGVNSWCIBQAA-OCCSQVGLSA-N 1 0 296.436 2.312 10 0 CEAERO O=C(N[C@H]1CCC12CCCC2)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000335832447 284168220 /nfs/dbraw/zinc/16/82/20/284168220.db2.gz WJWQHMGJNCBLLV-KGLIPLIRSA-N 1 0 277.412 2.199 10 0 CEAERO CCCCOC[C@@H](O)C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000193366782 369933168 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XGDBTFUQCQDWMS-NEPJUHHUSA-N 1 0 273.442 2.368 10 0 CEAERO C[C@@H]1CN(C(=O)c2cccc3ccccc32)C[C@@H]1[NH3+] ZINC000235369054 370563578 /nfs/dbraw/zinc/56/35/78/370563578.db2.gz ONDRELBUCQPBGQ-ABAIWWIYSA-N 1 0 254.333 2.259 10 0 CEAERO C[C@@H]1CN(C(=O)c2ccc(OC(F)(F)F)cc2)C[C@H]1[NH3+] ZINC000235358451 370563653 /nfs/dbraw/zinc/56/36/53/370563653.db2.gz QSXBPVKMXUKCAB-LDYMZIIASA-N 1 0 288.269 2.004 10 0 CEAERO Cc1ccnc(NC[C@H](C)C[NH3+])c1Br ZINC000235462978 370567687 /nfs/dbraw/zinc/56/76/87/370567687.db2.gz UPZSELSCMZYOPS-SSDOTTSWSA-N 1 0 258.163 2.159 10 0 CEAERO Cc1cc(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)ccc1Cl ZINC000235635782 370571440 /nfs/dbraw/zinc/57/14/40/370571440.db2.gz KLVRCWYJXKHRJL-CABZTGNLSA-N 1 0 252.745 2.068 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccnc(Cl)c1 ZINC000247017571 371046514 /nfs/dbraw/zinc/04/65/14/371046514.db2.gz SGHQBQWAHAGYMV-STQMWFEESA-N 1 0 293.798 2.434 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCSC ZINC000246833931 371019077 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Cc1nc2ccccc2nc1N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261809332 371739295 /nfs/dbraw/zinc/73/92/95/371739295.db2.gz SBCVUAKCMXWUPD-XQQFMLRXSA-N 1 0 268.364 2.112 10 0 CEAERO CC(C)C1CCC(NC(=O)[C@H]([NH3+])C2CCOCC2)CC1 ZINC000261777203 371728179 /nfs/dbraw/zinc/72/81/79/371728179.db2.gz FZKRBFCJDWUGJT-PESDSKBTSA-N 1 0 282.428 2.071 10 0 CEAERO C[N@H+](Cc1cccc(N)c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000261773673 371728366 /nfs/dbraw/zinc/72/83/66/371728366.db2.gz ZLRWCSFWIAUXOU-INIZCTEOSA-N 1 0 297.406 2.160 10 0 CEAERO [NH3+]C1(c2noc(Cc3ccc(F)c(F)c3)n2)CCC1 ZINC000261796043 371734453 /nfs/dbraw/zinc/73/44/53/371734453.db2.gz OWFMLQTXODXHOU-UHFFFAOYSA-N 1 0 265.263 2.277 10 0 CEAERO Cc1ccc(-c2cc(CN3C[C@H](C)[C@H]([NH3+])C3)on2)cc1 ZINC000261630246 371683367 /nfs/dbraw/zinc/68/33/67/371683367.db2.gz AEPQNTVZZGPSCT-SWLSCSKDSA-N 1 0 271.364 2.429 10 0 CEAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Nc3cccc(F)c3)C[C@H]12 ZINC000261629324 371684188 /nfs/dbraw/zinc/68/41/88/371684188.db2.gz VTOCJGCPEMSJEC-TVYUQYBPSA-N 1 0 263.316 2.027 10 0 CEAERO O[C@@H]1C[C@H](c2ccc(F)c(F)c2)N(C[C@@H]2CCC[NH2+]C2)C1 ZINC000261644320 371689293 /nfs/dbraw/zinc/68/92/93/371689293.db2.gz ANDXWFSJNSNIJT-AXAPSJFSSA-N 1 0 296.361 2.072 10 0 CEAERO Fc1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)c1 ZINC000261914400 371768568 /nfs/dbraw/zinc/76/85/68/371768568.db2.gz JMOKPTUGAWVVNG-BBWFWOEESA-N 1 0 292.398 2.115 10 0 CEAERO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@@H+]2Cc2cnc(N)s2)C1 ZINC000262047148 371810807 /nfs/dbraw/zinc/81/08/07/371810807.db2.gz PWNKYAZMRCBPHK-ZRJCITRHSA-N 1 0 295.452 2.487 10 0 CEAERO Fc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)cc1 ZINC000262051226 371812999 /nfs/dbraw/zinc/81/29/99/371812999.db2.gz ZPFYIJJYUWTAAT-XHSDSOJGSA-N 1 0 278.371 2.072 10 0 CEAERO CC(C)Cc1ncc(CN2C[C@H](C)[C@H]([NH3+])C2)s1 ZINC000262051147 371813490 /nfs/dbraw/zinc/81/34/90/371813490.db2.gz QHDPQKBAHQQCCB-CMPLNLGQSA-N 1 0 253.415 2.121 10 0 CEAERO C[C@H]1CN(Cc2c[nH]nc2-c2c(F)cccc2F)C[C@@H]1[NH3+] 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288.435 2.414 10 0 CEAERO C[C@@H](c1cccc(F)c1)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000247169302 220219234 /nfs/dbraw/zinc/21/92/34/220219234.db2.gz QYNNFFSGPCFEII-XJKSGUPXSA-N 1 0 278.371 2.293 10 0 CEAERO Cc1cc(N(C)[C@H]2CCCN(c3cccnn3)C2)cc[nH+]1 ZINC000274335613 373884227 /nfs/dbraw/zinc/88/42/27/373884227.db2.gz HALJLKHWYLSTTA-HNNXBMFYSA-N 1 0 283.379 2.285 10 0 CEAERO Cc1cc(N2CCO[C@@H](c3nccs3)C2)cc[nH+]1 ZINC000274335559 373884758 /nfs/dbraw/zinc/88/47/58/373884758.db2.gz GYLKSGAEIDCQAF-GFCCVEGCSA-N 1 0 261.350 2.424 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1csc(Cl)n1 ZINC000274517975 373948165 /nfs/dbraw/zinc/94/81/65/373948165.db2.gz RSCDDBGPQZRMEU-BDAKNGLRSA-N 1 0 285.800 2.105 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cncc(F)c1 ZINC000275111127 374156082 /nfs/dbraw/zinc/15/60/82/374156082.db2.gz GHWTVFLHHNNVLS-GJZGRUSLSA-N 1 0 263.360 2.279 10 0 CEAERO [NH3+]CC[C@H](Nc1ncnc2ccccc21)C(F)F ZINC000383457101 321848346 /nfs/dbraw/zinc/84/83/46/321848346.db2.gz NSSRLYOMBPTQBO-JTQLQIEISA-N 1 0 252.268 2.024 10 0 CEAERO C[C@H](CCC(C)(C)C)NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000386208743 375254561 /nfs/dbraw/zinc/25/45/61/375254561.db2.gz GPVZGBSXURBVRU-CYBMUJFWSA-N 1 0 283.460 2.001 10 0 CEAERO C[C@@H]1CCC[C@@H]([NH2+]C2CCN(CCO)CC2)CC1 ZINC000399153040 375358191 /nfs/dbraw/zinc/35/81/91/375358191.db2.gz CAGPUFSYQCOOAR-ZIAGYGMSSA-N 1 0 254.418 2.002 10 0 CEAERO Cc1scc(CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)c1C ZINC000399818775 375369825 /nfs/dbraw/zinc/36/98/25/375369825.db2.gz NZWQSLDHSCZIIR-YPMHNXCESA-N 1 0 266.410 2.499 10 0 CEAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000282247150 375438811 /nfs/dbraw/zinc/43/88/11/375438811.db2.gz GKPPJDGVGMQLKK-BXKDBHETSA-N 1 0 268.307 2.381 10 0 CEAERO CC(C)Oc1ccccc1C[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000282405998 375475510 /nfs/dbraw/zinc/47/55/10/375475510.db2.gz PYKQXZPSVMFUGY-GXTWGEPZSA-N 1 0 276.380 2.231 10 0 CEAERO C[C@@H](C[NH2+]Cc1cc[nH]c1)N(C)C(=O)OC(C)(C)C ZINC000282853493 375595729 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542122904 /nfs/dbraw/zinc/12/29/04/542122904.db2.gz XGJJSZYZLVVGJB-UHFFFAOYSA-N 1 0 268.158 2.383 10 0 CEAERO COc1ccc(F)cc1C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000291278579 377155902 /nfs/dbraw/zinc/15/59/02/377155902.db2.gz UMQWADKYEHMNGO-BXUZGUMPSA-N 1 0 267.344 2.475 10 0 CEAERO CC(C)c1nccnc1NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000563312085 377168051 /nfs/dbraw/zinc/16/80/51/377168051.db2.gz UIOCNFYSRMOFFY-CYBMUJFWSA-N 1 0 262.401 2.164 10 0 CEAERO CC(C)C1([NH2+]C[C@@H](O)COCc2cccs2)CC1 ZINC000292891056 377335521 /nfs/dbraw/zinc/33/55/21/377335521.db2.gz CYJDWHNNVBBAKF-GFCCVEGCSA-N 1 0 269.410 2.404 10 0 CEAERO COc1cccc([C@@H]2CCCN2C(=O)C[C@H]2CC[NH2+]C2)c1 ZINC000089744212 249307609 /nfs/dbraw/zinc/30/76/09/249307609.db2.gz IYDSEHMVGSWCKZ-CJNGLKHVSA-N 1 0 288.391 2.358 10 0 CEAERO C[NH+](C)[C@H]1CCN(Cc2cccc(O)c2Cl)C1 ZINC000293886180 377807375 /nfs/dbraw/zinc/80/73/75/377807375.db2.gz KATUHONXOKMIIG-NSHDSACASA-N 1 0 254.761 2.182 10 0 CEAERO CNc1ccc(Cl)cc1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000050770176 522626201 /nfs/dbraw/zinc/62/62/01/522626201.db2.gz OZBMLGDJSQNBJQ-JTQLQIEISA-N 1 0 281.787 2.063 10 0 CEAERO C[C@@H](O)CN1CC[N@H+](CC(C)(C)c2ccccc2)C[C@@H]1C ZINC000180084608 542260386 /nfs/dbraw/zinc/26/03/86/542260386.db2.gz MONJIIYXEASIQT-JKSUJKDBSA-N 1 0 290.451 2.351 10 0 CEAERO Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CCc2nc(C(C)C)nn2C1 ZINC000180857874 542267534 /nfs/dbraw/zinc/26/75/34/542267534.db2.gz SHOIJZOGGNENGM-JQWIXIFHSA-N 1 0 288.399 2.099 10 0 CEAERO NC(=O)c1c[nH+]ccc1NC[C@@H]1C[C@@H]1c1ccccc1 ZINC000302228702 379336417 /nfs/dbraw/zinc/33/64/17/379336417.db2.gz QVZPHTSGBJCRMV-QWHCGFSZSA-N 1 0 267.332 2.396 10 0 CEAERO CC[N@H+](C)[C@@H]1CCN(c2cc(C)nc(-c3cccnc3)n2)C1 ZINC000302740681 379442196 /nfs/dbraw/zinc/44/21/96/379442196.db2.gz CPZKLINVZAMENR-OAHLLOKOSA-N 1 0 297.406 2.377 10 0 CEAERO COCCC1CC[NH+](C[C@H]2CCC[C@H](O)C2)CC1 ZINC000528580794 380023506 /nfs/dbraw/zinc/02/35/06/380023506.db2.gz IABBKMJRAIWKRS-GJZGRUSLSA-N 1 0 255.402 2.286 10 0 CEAERO CC(C)n1nnnc1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000550228488 380620150 /nfs/dbraw/zinc/62/01/50/380620150.db2.gz WEVBBCZYPQNQCH-UHFFFAOYSA-N 1 0 275.400 2.168 10 0 CEAERO C[C@@H]([NH2+]CC(=O)N(C)C1CCC(C)CC1)[C@@H]1CCCO1 ZINC000183119028 542287073 /nfs/dbraw/zinc/28/70/73/542287073.db2.gz CFYYTAOQEHWIPP-JYVUQVBGSA-N 1 0 282.428 2.181 10 0 CEAERO CCc1ccc(NC(=O)C[NH2+][C@H](C)[C@H]2CCCO2)cc1 ZINC000183139228 542287261 /nfs/dbraw/zinc/28/72/61/542287261.db2.gz CALSIOUJIGCCDI-IUODEOHRSA-N 1 0 276.380 2.345 10 0 CEAERO Cc1ccccc1CNC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000183121851 542287608 /nfs/dbraw/zinc/28/76/08/542287608.db2.gz SMGFOOHHAICHDU-DZKIICNBSA-N 1 0 290.407 2.157 10 0 CEAERO C[C@H]1CN(Cc2ccc(Br)o2)C[C@@H]1[NH+](C)C ZINC000289178158 197255030 /nfs/dbraw/zinc/25/50/30/197255030.db2.gz AFPDFAAJPUJXKB-ONGXEEELSA-N 1 0 287.201 2.424 10 0 CEAERO CCCN1C(=O)CC[C@@H]([NH3+])[C@H]1c1ccc2c(c1)CCO2 ZINC000070986169 184574471 /nfs/dbraw/zinc/57/44/71/184574471.db2.gz GLVAGUUEQNKFRX-CZUORRHYSA-N 1 0 274.364 2.022 10 0 CEAERO CCC[C@@H](C)NC(=O)COC1(C[NH3+])CCC(C)CC1 ZINC000086711683 184610298 /nfs/dbraw/zinc/61/02/98/184610298.db2.gz BNSZGGAFXYQVGI-JVWICGRDSA-N 1 0 270.417 2.215 10 0 CEAERO [NH3+]C[C@@]1(OCc2ccn(C3CCCC3)n2)CCCOC1 ZINC000086722395 184610686 /nfs/dbraw/zinc/61/06/86/184610686.db2.gz KSHRTEMHYVJDFS-HNNXBMFYSA-N 1 0 279.384 2.023 10 0 CEAERO CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2CO)CCO1 ZINC000089522355 184616090 /nfs/dbraw/zinc/61/60/90/184616090.db2.gz CRAORUHUAGQIQT-GBJTYRQASA-N 1 0 255.402 2.332 10 0 CEAERO CCC[NH2+]C[C@@](C)(O)COc1cccc2cccnc21 ZINC000090823586 184618301 /nfs/dbraw/zinc/61/83/01/184618301.db2.gz AKYLFZVYEVDKBW-MRXNPFEDSA-N 1 0 274.364 2.364 10 0 CEAERO CC1(C)C([NH2+][C@H]2CC(=O)N(C3CCCCC3)C2=O)C1(C)C ZINC000092816249 184628297 /nfs/dbraw/zinc/62/82/97/184628297.db2.gz SWWJKQTXQYMWNS-LBPRGKRZSA-N 1 0 292.423 2.471 10 0 CEAERO CC[NH2+][C@H]1c2cc(OC)ccc2C[C@@H]1SCCCO ZINC000092861082 184632543 /nfs/dbraw/zinc/63/25/43/184632543.db2.gz XQVCVYJWDSOQPN-GJZGRUSLSA-N 1 0 281.421 2.386 10 0 CEAERO Cc1ccc(SCc2noc(C3C[NH2+]C3)n2)cc1 ZINC000092699808 184621668 /nfs/dbraw/zinc/62/16/68/184621668.db2.gz XBWMNFPNMQGWLI-UHFFFAOYSA-N 1 0 261.350 2.357 10 0 CEAERO CC[NH2+]C/C=C/c1c(OC)cc(OC)cc1OC ZINC000092729130 184623659 /nfs/dbraw/zinc/62/36/59/184623659.db2.gz MROSZUWELBYJOS-VOTSOKGWSA-N 1 0 251.326 2.335 10 0 CEAERO CC[C@](C)([NH3+])COC(=O)Nc1ccc(OC)cc1 ZINC000092744054 184624143 /nfs/dbraw/zinc/62/41/43/184624143.db2.gz VXDJUYNBIWZSJK-ZDUSSCGKSA-N 1 0 252.314 2.371 10 0 CEAERO C[NH2+]C[C@@H]1CCCO[C@@H]1c1c(OC)cc(OC)cc1OC ZINC000092883162 184633359 /nfs/dbraw/zinc/63/33/59/184633359.db2.gz XOHSRBXQJJZUPA-ZBEGNZNMSA-N 1 0 295.379 2.400 10 0 CEAERO CC(C)C[NH2+]C[C@@H]1CCCO[C@@H]1[C@@H]1CCCOC1 ZINC000092887904 184633723 /nfs/dbraw/zinc/63/37/23/184633723.db2.gz UYUIQYQFMPMXKA-ZNMIVQPWSA-N 1 0 255.402 2.454 10 0 CEAERO [NH3+][C@@H]1CC[C@H](Nc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000093205188 184655303 /nfs/dbraw/zinc/65/53/03/184655303.db2.gz SLMGNGGXTPQTHN-SFYZADRCSA-N 1 0 256.252 2.300 10 0 CEAERO COC(=O)[C@H](C)[C@H](C)[NH+]1CCc2ccccc2CC1 ZINC000093037281 184644177 /nfs/dbraw/zinc/64/41/77/184644177.db2.gz XMIHORYUZBIMHM-OLZOCXBDSA-N 1 0 261.365 2.285 10 0 CEAERO CCOc1cc(N[C@@H]2CC[C@@H]([NH3+])C2)ccc1OC ZINC000093206992 184655702 /nfs/dbraw/zinc/65/57/02/184655702.db2.gz QJVMJTQFSYBNHO-GHMZBOCLSA-N 1 0 250.342 2.386 10 0 CEAERO Cn1cc(C[C@H](C[NH3+])c2ccc(Br)cc2)cn1 ZINC000093151603 184652138 /nfs/dbraw/zinc/65/21/38/184652138.db2.gz BZAJUPKCBJYWNZ-GFCCVEGCSA-N 1 0 294.196 2.468 10 0 CEAERO CC(C)[NH2+]C[C@@H](c1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000093164427 184652679 /nfs/dbraw/zinc/65/26/79/184652679.db2.gz FTSPFGTYHTTXOL-HIFRSBDPSA-N 1 0 299.411 2.342 10 0 CEAERO CCC[NH2+]C[C@H](Cc1ncnn1C)c1ccccc1F ZINC000093177339 184653640 /nfs/dbraw/zinc/65/36/40/184653640.db2.gz WVAJQRKTIVFLRH-LBPRGKRZSA-N 1 0 276.359 2.280 10 0 CEAERO CN(CCc1cccs1)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000093289789 184660886 /nfs/dbraw/zinc/66/08/86/184660886.db2.gz ATTIRQBYMISASC-CHWSQXEVSA-N 1 0 266.410 2.267 10 0 CEAERO CCOC(OCC)[C@@H](CCC[C@@H]1CCCO1)[NH2+]C ZINC000093307003 184662373 /nfs/dbraw/zinc/66/23/73/184662373.db2.gz WIWGTPOZNBLXJT-CHWSQXEVSA-N 1 0 259.390 2.323 10 0 CEAERO Cc1scc(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)c1C ZINC000335023215 207487946 /nfs/dbraw/zinc/48/79/46/207487946.db2.gz JCQZCERXUZVDFU-JOYOIKCWSA-N 1 0 252.383 2.235 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2coc(C3CCC3)n2)C1 ZINC000194677385 542362285 /nfs/dbraw/zinc/36/22/85/542362285.db2.gz WAFMNQPDAWLROW-YPMHNXCESA-N 1 0 291.395 2.401 10 0 CEAERO COCCN1CC[N@H+](C[C@@H]2CCC[C@@H](C)C2)C[C@H]1C ZINC000133388269 285050111 /nfs/dbraw/zinc/05/01/11/285050111.db2.gz AGVMUBKMCQQILH-BZUAXINKSA-N 1 0 268.445 2.465 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1cc(F)c(F)c(F)c1F ZINC000335239523 208003330 /nfs/dbraw/zinc/00/33/30/208003330.db2.gz LQSXTAIDYURALG-MUWHJKNJSA-N 1 0 290.260 2.100 10 0 CEAERO Cn1cc(N[C@@H]2CCCC[C@@H]2[C@@H]2CCCC[NH2+]2)ccc1=O ZINC000093494877 184684676 /nfs/dbraw/zinc/68/46/76/184684676.db2.gz KGPLJWXQDONKJZ-OWCLPIDISA-N 1 0 289.423 2.498 10 0 CEAERO CC1(C)C[C@@]2(C[NH+]=C(N)N2Cc2ccccc2)CCO1 ZINC000093357311 184666789 /nfs/dbraw/zinc/66/67/89/184666789.db2.gz ANRMKBQCODKJPL-MRXNPFEDSA-N 1 0 273.380 2.145 10 0 CEAERO NC1=[NH+]CC2(CCSCC2)N1Cc1ccccc1 ZINC000093357287 184666849 /nfs/dbraw/zinc/66/68/49/184666849.db2.gz IDQSFJZEILUAMS-UHFFFAOYSA-N 1 0 261.394 2.083 10 0 CEAERO CC[C@H]1C[C@]2(C[NH+]=C(N)N2c2ccccc2F)CCO1 ZINC000093390954 184670434 /nfs/dbraw/zinc/67/04/34/184670434.db2.gz VZRYPOTYGMDSAL-NHYWBVRUSA-N 1 0 277.343 2.288 10 0 CEAERO CC[C@]1(c2ccc(F)cc2)CNC(=[NH2+])N1CC1CC1 ZINC000093393548 184670749 /nfs/dbraw/zinc/67/07/49/184670749.db2.gz YWBXPZKMYPWHPK-OAHLLOKOSA-N 1 0 261.344 2.471 10 0 CEAERO COc1ccc(C[C@@]2(C)C[NH+]=C(N)N2CC2CC2)cc1 ZINC000093393741 184670787 /nfs/dbraw/zinc/67/07/87/184670787.db2.gz PCUNXLVRMMOGTO-INIZCTEOSA-N 1 0 273.380 2.037 10 0 CEAERO [NH3+]CC1CCC(C(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000093425057 184674356 /nfs/dbraw/zinc/67/43/56/184674356.db2.gz VSIRQVNHHFTZDB-SSDMNJCBSA-N 1 0 288.391 2.392 10 0 CEAERO [NH3+]CC1CCC(C(=O)N[C@@H]2CCc3ccccc3C2)CC1 ZINC000093425732 184674412 /nfs/dbraw/zinc/67/44/12/184674412.db2.gz HBGWZPGMPXYQFD-PUJMQQBBSA-N 1 0 286.419 2.425 10 0 CEAERO Cc1cc(C(N)=O)ccc1N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000093451983 184677165 /nfs/dbraw/zinc/67/71/65/184677165.db2.gz SBMDZDFSJNGMFJ-CWRNSKLLSA-N 1 0 287.407 2.427 10 0 CEAERO C[NH2+][C@@H]1CCC[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000081920148 177893952 /nfs/dbraw/zinc/89/39/52/177893952.db2.gz CFSBOGNYWCEFKO-NEPJUHHUSA-N 1 0 273.785 2.254 10 0 CEAERO CC[NH2+][C@H](C)CCSc1nnc2ccccn21 ZINC000081881107 177876033 /nfs/dbraw/zinc/87/60/33/177876033.db2.gz KAPKCCJUTPNRLP-SNVBAGLBSA-N 1 0 250.371 2.210 10 0 CEAERO CCOC(=O)CSC[C@@H]([NH3+])c1ccccc1C ZINC000081794888 177861697 /nfs/dbraw/zinc/86/16/97/177861697.db2.gz PIBWOTZHAGGJIS-GFCCVEGCSA-N 1 0 253.367 2.291 10 0 CEAERO COCC[C@@H](C)NC(=O)Nc1cccc([C@H](C)[NH3+])c1 ZINC000081734916 177845916 /nfs/dbraw/zinc/84/59/16/177845916.db2.gz ZAZNMFWCOBQUNX-MNOVXSKESA-N 1 0 265.357 2.253 10 0 CEAERO CCN(CC)c1ccc(NC(=O)CC2C[NH2+]C2)cc1 ZINC000081747430 177852791 /nfs/dbraw/zinc/85/27/91/177852791.db2.gz GQHPGPCOXJSHPS-UHFFFAOYSA-N 1 0 261.369 2.081 10 0 CEAERO CC[NH+](CC)CCCNc1ncnc2ccc(N)cc21 ZINC000081589486 177826211 /nfs/dbraw/zinc/82/62/11/177826211.db2.gz FSNCLMNYNXAMHJ-UHFFFAOYSA-N 1 0 273.384 2.356 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCCC[C@@H]2C)C1 ZINC000194173663 270293140 /nfs/dbraw/zinc/29/31/40/270293140.db2.gz BCPYWOPESYIXPN-QWHCGFSZSA-N 1 0 253.390 2.055 10 0 CEAERO COC[C@H]1CCN(c2cccc(C[NH2+]CC(C)C)n2)C1 ZINC000081117090 177773640 /nfs/dbraw/zinc/77/36/40/177773640.db2.gz OKOQSFYTJQYFEP-AWEZNQCLSA-N 1 0 277.412 2.300 10 0 CEAERO CCOC(=O)N[C@H]1CC2(CC[NH2+]CC2)c2ccccc21 ZINC000096088785 256743375 /nfs/dbraw/zinc/74/33/75/256743375.db2.gz QNKSXTJRBFMXGS-AWEZNQCLSA-N 1 0 274.364 2.499 10 0 CEAERO CCC[C@@H](COC)[NH2+]C[C@@H](C(=O)OC)c1ccccc1 ZINC000080960451 177741149 /nfs/dbraw/zinc/74/11/49/177741149.db2.gz XILGFHHSPKRDJN-LSDHHAIUSA-N 1 0 279.380 2.348 10 0 CEAERO CC[C@](C)(C[NH3+])NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000080885259 177722723 /nfs/dbraw/zinc/72/27/23/177722723.db2.gz VZYVEXYQDVQHMS-ANNMTPNPSA-N 1 0 264.413 2.446 10 0 CEAERO CCC[NH2+][C@@H](C)CCc1nc([C@@H](C)OCC)no1 ZINC000080744934 177697424 /nfs/dbraw/zinc/69/74/24/177697424.db2.gz RELPNJCBVWFJBE-WDEREUQCSA-N 1 0 255.362 2.488 10 0 CEAERO CC1(C)Cc2cccc([C@@H]3[C@H]([NH3+])CC(=O)N3C3CC3)c2O1 ZINC000080508492 177660324 /nfs/dbraw/zinc/66/03/24/177660324.db2.gz DJBOHZSIIHXWAI-UKRRQHHQSA-N 1 0 286.375 2.163 10 0 CEAERO CCC[C@]1(C(=O)Nc2ccc(O)cc2C)CC[NH2+]C1 ZINC000080358796 177645132 /nfs/dbraw/zinc/64/51/32/177645132.db2.gz ITHSOFBCHLDJRF-HNNXBMFYSA-N 1 0 262.353 2.419 10 0 CEAERO Cc1cc(O)ccc1NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000080358464 177644563 /nfs/dbraw/zinc/64/45/63/177644563.db2.gz YYYKEGCUOLOLQL-GFCCVEGCSA-N 1 0 262.353 2.419 10 0 CEAERO CC(C)[NH2+][C@@]1(CO)CCC[C@H]1CCOCC(F)(F)F ZINC000093620724 184697215 /nfs/dbraw/zinc/69/72/15/184697215.db2.gz XHWSYMYMWZBRGV-NWDGAFQWSA-N 1 0 283.334 2.485 10 0 CEAERO Cc1cc(C)nc(SCC[C@H]2CCC[C@@]2([NH3+])CO)n1 ZINC000093622058 184697601 /nfs/dbraw/zinc/69/76/01/184697601.db2.gz CIKALOKLQZPZRR-TZMCWYRMSA-N 1 0 281.425 2.066 10 0 CEAERO Cc1nc(SCC[C@H]2CCC[C@@]2([NH3+])CO)nc(C)c1C ZINC000093624030 184697686 /nfs/dbraw/zinc/69/76/86/184697686.db2.gz VQWMYRZLLNVVJZ-UKRRQHHQSA-N 1 0 295.452 2.374 10 0 CEAERO CCCCOCC[C@@H]1CCC[C@]1(CO)[NH2+]C1CC1 ZINC000093621783 184697881 /nfs/dbraw/zinc/69/78/81/184697881.db2.gz HLGSNCJMMQTEEX-DZGCQCFKSA-N 1 0 255.402 2.476 10 0 CEAERO CCOc1cccc(OCC[C@@H]2CCC[C@@]2(O)C[NH3+])c1 ZINC000093627415 184699052 /nfs/dbraw/zinc/69/90/52/184699052.db2.gz RCDSZDPMTNXOAQ-XJKSGUPXSA-N 1 0 279.380 2.344 10 0 CEAERO CCCSCC[C@@H]1CCC[C@@]1([NH2+]CC)C(N)=O ZINC000093628111 184699096 /nfs/dbraw/zinc/69/90/96/184699096.db2.gz RDPRZAKATBDDBA-AAEUAGOBSA-N 1 0 258.431 2.153 10 0 CEAERO C[C@@H](NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(O)c1 ZINC000093677043 184704934 /nfs/dbraw/zinc/70/49/34/184704934.db2.gz CSORORCXQGZATN-IKKMQULASA-N 1 0 288.391 2.490 10 0 CEAERO C[C@@H]1CC[C@H]([NH2+]Cc2cc(C(N)=O)cs2)[C@@H]1C ZINC000093688286 184706526 /nfs/dbraw/zinc/70/65/26/184706526.db2.gz JFOJRRAXCVQCLT-LNLATYFQSA-N 1 0 252.383 2.371 10 0 CEAERO CCC[NH2+][C@@H](Cc1nc([C@@H](C)OC)no1)C(C)C ZINC000093693229 184707477 /nfs/dbraw/zinc/70/74/77/184707477.db2.gz RHPWDROLALWOEA-MNOVXSKESA-N 1 0 255.362 2.344 10 0 CEAERO CN(C)C(=O)c1cc(NCC2CC[NH2+]CC2)ccc1Cl ZINC000094009910 184749728 /nfs/dbraw/zinc/74/97/28/184749728.db2.gz PNYTZXVALRPVRZ-UHFFFAOYSA-N 1 0 295.814 2.453 10 0 CEAERO [NH3+]C1CCC(c2nc(-c3ccc(F)cn3)no2)CC1 ZINC000094043771 184751705 /nfs/dbraw/zinc/75/17/05/184751705.db2.gz SWOSHSWODLREIQ-UHFFFAOYSA-N 1 0 262.288 2.256 10 0 CEAERO CC(C)C[NH2+]Cc1ccnc(-c2ccc(F)cn2)n1 ZINC000094050699 184752286 /nfs/dbraw/zinc/75/22/86/184752286.db2.gz RUKAFTVFDLWBLG-UHFFFAOYSA-N 1 0 260.316 2.423 10 0 CEAERO Cc1nc(-c2cccc(NC3CCC([NH3+])CC3)c2)n[nH]1 ZINC000094087712 184754454 /nfs/dbraw/zinc/75/44/54/184754454.db2.gz DIXYRXUMPUNIQB-UHFFFAOYSA-N 1 0 271.368 2.462 10 0 CEAERO [NH3+][C@H](Cc1cccnc1)[C@H]1CCCc2cccnc21 ZINC000094117366 184755821 /nfs/dbraw/zinc/75/58/21/184755821.db2.gz CAPUCRRKFVXHCE-HUUCEWRRSA-N 1 0 253.349 2.467 10 0 CEAERO Cn1ccnc1C[C@@H]([NH3+])Cc1cccc(Br)c1 ZINC000094144987 184756793 /nfs/dbraw/zinc/75/67/93/184756793.db2.gz ZQTSQZKHWMYGDP-LBPRGKRZSA-N 1 0 294.196 2.295 10 0 CEAERO C[NH2+][C@H](Cc1nccn1C)[C@@H]1CCOc2ccccc21 ZINC000094162089 184757454 /nfs/dbraw/zinc/75/74/54/184757454.db2.gz MESVJVTYAQYGMW-TZMCWYRMSA-N 1 0 271.364 2.117 10 0 CEAERO CCC[NH2+][C@H](Cc1nccn1CCC)[C@@H]1CCCO1 ZINC000094161301 184758110 /nfs/dbraw/zinc/75/81/10/184758110.db2.gz BARJNUCINNDDCY-KGLIPLIRSA-N 1 0 265.401 2.383 10 0 CEAERO CC[NH2+][C@@H](Cc1nc2ccccc2n1C)[C@@H](C)OC ZINC000094172031 184759128 /nfs/dbraw/zinc/75/91/28/184759128.db2.gz SHDZUOKSADKUQT-YPMHNXCESA-N 1 0 261.369 2.129 10 0 CEAERO CCn1c(C[C@](C)(O)C[NH2+]C(C)C)nc2ccccc21 ZINC000094173300 184759166 /nfs/dbraw/zinc/75/91/66/184759166.db2.gz QIUAXVZDMZFBJS-INIZCTEOSA-N 1 0 275.396 2.348 10 0 CEAERO C[NH2+][C@H](Cc1nc2ccccc2n1C)[C@H]1CCCOC1 ZINC000094171638 184759357 /nfs/dbraw/zinc/75/93/57/184759357.db2.gz QBVLHCCXLGDMBK-GXTWGEPZSA-N 1 0 273.380 2.130 10 0 CEAERO O=C(N[C@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(F)c(F)c1F ZINC000094183925 184760403 /nfs/dbraw/zinc/76/04/03/184760403.db2.gz RZUKDISTNNXGID-AEJSXWLSSA-N 1 0 298.308 2.222 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccc(OCc2cccc(OC)n2)cn1 ZINC000094216306 184764369 /nfs/dbraw/zinc/76/43/69/184764369.db2.gz RQPKKFXNFPNSJM-GFCCVEGCSA-N 1 0 287.363 2.344 10 0 CEAERO CC[C@@](C)([NH3+])C(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000094234565 184767676 /nfs/dbraw/zinc/76/76/76/184767676.db2.gz FBGXMUFCCFAZIY-QMTHXVAHSA-N 1 0 252.333 2.473 10 0 CEAERO CCC([NH3+])(CC)C(=O)N(C)CCOc1ccc(OC)cc1 ZINC000094244472 184769239 /nfs/dbraw/zinc/76/92/39/184769239.db2.gz FWNJNMTURIQKGB-UHFFFAOYSA-N 1 0 294.395 2.050 10 0 CEAERO Cc1cscc1C(=O)N(C)[C@H]1CCC[C@H]1C[NH3+] ZINC000094248397 184769807 /nfs/dbraw/zinc/76/98/07/184769807.db2.gz SWZPPZLFEZJGEK-JQWIXIFHSA-N 1 0 252.383 2.256 10 0 CEAERO CCOc1ccc2nc(C3CCC([NH3+])CC3)[nH]c2n1 ZINC000094262663 184771171 /nfs/dbraw/zinc/77/11/71/184771171.db2.gz MWMYTRGGKLDKCV-UHFFFAOYSA-N 1 0 260.341 2.342 10 0 CEAERO CC1(C)CC[C@H](S(=O)(=O)c2ccc(F)cc2F)[C@H]1[NH3+] ZINC000094311195 184778422 /nfs/dbraw/zinc/77/84/22/184778422.db2.gz HFCGMOAYIXJJAA-NWDGAFQWSA-N 1 0 289.347 2.254 10 0 CEAERO c1ccc(CC[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)nc1 ZINC000094365867 184789958 /nfs/dbraw/zinc/78/99/58/184789958.db2.gz BYIQFZOJSOJLJP-GJZGRUSLSA-N 1 0 278.421 2.268 10 0 CEAERO CC[NH2+][C@H](C)c1cnn([C@@H]2CCOC3(CCOCC3)C2)c1 ZINC000094412651 184794355 /nfs/dbraw/zinc/79/43/55/184794355.db2.gz IGJJXHLMGXQOIN-UKRRQHHQSA-N 1 0 293.411 2.454 10 0 CEAERO CC(C)C[NH2+]C[C@@H](O)[C@@H]1CCOC2(CCSCC2)C1 ZINC000094418551 184795273 /nfs/dbraw/zinc/79/52/73/184795273.db2.gz VROKGUXVDKBNLN-ZIAGYGMSSA-N 1 0 287.469 2.285 10 0 CEAERO [NH3+]Cc1ccccc1CNc1ccc2nccnc2n1 ZINC000094726335 184847649 /nfs/dbraw/zinc/84/76/49/184847649.db2.gz PITGHRXRTJVTPK-UHFFFAOYSA-N 1 0 265.320 2.096 10 0 CEAERO C[NH2+][C@H](c1ccc2c(c1)OCCO2)[C@@]1(C)CCCO1 ZINC000094782909 184862604 /nfs/dbraw/zinc/86/26/04/184862604.db2.gz GIAKBHKVGWCFGB-HUUCEWRRSA-N 1 0 263.337 2.287 10 0 CEAERO CC[C@@H]1CC(=O)N(Cc2ccc(C[NH3+])cc2F)C1 ZINC000094793299 184865840 /nfs/dbraw/zinc/86/58/40/184865840.db2.gz JRQZLEZCQNYCDE-SNVBAGLBSA-N 1 0 250.317 2.043 10 0 CEAERO Nc1cc[nH+]cc1CC(=O)c1cncc(Br)c1 ZINC000094823484 184875354 /nfs/dbraw/zinc/87/53/54/184875354.db2.gz ZWKLPXZMZHWNFK-UHFFFAOYSA-N 1 0 292.136 2.247 10 0 CEAERO C[C@@H](CN1CCCC1=O)[NH2+][C@H]1CSCC(C)(C)C1 ZINC000094488359 184809171 /nfs/dbraw/zinc/80/91/71/184809171.db2.gz SPGFLMBQUBOVIY-NWDGAFQWSA-N 1 0 270.442 2.119 10 0 CEAERO CC[NH2+]CCc1c(C)nc([C@H]2CSCCO2)nc1C ZINC000094505464 184812045 /nfs/dbraw/zinc/81/20/45/184812045.db2.gz OZSZSBZWSDDHRA-CYBMUJFWSA-N 1 0 281.425 2.050 10 0 CEAERO CCC[NH2+]CCc1c(C)nc([C@@H]2CSCCO2)nc1C ZINC000094505465 184812347 /nfs/dbraw/zinc/81/23/47/184812347.db2.gz QMHYMBPFADHHOL-AWEZNQCLSA-N 1 0 295.452 2.440 10 0 CEAERO [NH3+]C[C@H]1CC[C@@H](c2nc(-c3cccc(F)c3)no2)O1 ZINC000094560815 184817819 /nfs/dbraw/zinc/81/78/19/184817819.db2.gz KJVAZFAUYIPCSZ-MNOVXSKESA-N 1 0 263.272 2.055 10 0 CEAERO [NH3+]C[C@@H]1CC[C@H](C(=O)Nc2ccc3ccccc3c2)O1 ZINC000094565986 184819583 /nfs/dbraw/zinc/81/95/83/184819583.db2.gz ANUXEJDHMNQQLT-LSDHHAIUSA-N 1 0 270.332 2.285 10 0 CEAERO Cc1cc(C)c(O)c(NC(=O)[C@H](C[NH3+])C(C)C)c1 ZINC000094574590 184820946 /nfs/dbraw/zinc/82/09/46/184820946.db2.gz HUDAPIQLELSKDZ-LLVKDONJSA-N 1 0 250.342 2.178 10 0 CEAERO CCc1ccc(O)c(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000094575251 184820950 /nfs/dbraw/zinc/82/09/50/184820950.db2.gz PYIUMZFJETXEPM-RYUDHWBXSA-N 1 0 262.353 2.411 10 0 CEAERO CC[C@@H]1CN(c2nc3cc(C)ccn3n2)[C@@H](CC)C[NH2+]1 ZINC000094608561 184825305 /nfs/dbraw/zinc/82/53/05/184825305.db2.gz OLBDEUWIGVNEES-OLZOCXBDSA-N 1 0 273.384 2.005 10 0 CEAERO C[NH2+]C1CCC(N(C)c2nc3ccc(Cl)cn3n2)CC1 ZINC000094609190 184825916 /nfs/dbraw/zinc/82/59/16/184825916.db2.gz FUXMEMQCYPDQKA-UHFFFAOYSA-N 1 0 293.802 2.350 10 0 CEAERO C[C@H](C[NH2+]C[C@@H]1CCCO1)Sc1ccncc1 ZINC000094615533 184826698 /nfs/dbraw/zinc/82/66/98/184826698.db2.gz LPKXVNGAEAAPLL-NEPJUHHUSA-N 1 0 252.383 2.331 10 0 CEAERO C[NH2+][C@H](Cc1csc(C)n1)Cc1ccc(OC)nc1 ZINC000094632688 184830879 /nfs/dbraw/zinc/83/08/79/184830879.db2.gz SXQHTEVRJGQYDL-LBPRGKRZSA-N 1 0 277.393 2.228 10 0 CEAERO COc1ccc(N(C)C(=O)[C@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000094648026 184833977 /nfs/dbraw/zinc/83/39/77/184833977.db2.gz SKMBMIOQXDTHCL-RISCZKNCSA-N 1 0 262.353 2.046 10 0 CEAERO C[C@@H](Oc1ccc(C[NH3+])cc1C(F)(F)F)[C@H](C)O ZINC000094653583 184836303 /nfs/dbraw/zinc/83/63/03/184836303.db2.gz ITWANUOQWVCSDY-JGVFFNPUSA-N 1 0 263.259 2.312 10 0 CEAERO CCOc1ncccc1NC(=O)[C@H](C[NH3+])CC(C)C ZINC000094697741 184841389 /nfs/dbraw/zinc/84/13/89/184841389.db2.gz UQIUXPDSTQSWCW-NSHDSACASA-N 1 0 265.357 2.040 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)[C@@H](C[NH3+])CC(C)C)o1 ZINC000094697579 184842055 /nfs/dbraw/zinc/84/20/55/184842055.db2.gz BUEGVYYYTPPGFY-VXGBXAGGSA-N 1 0 252.358 2.386 10 0 CEAERO Cc1noc(C)c1[C@@H](C)NC(=O)[C@H](C[NH3+])CC(C)C ZINC000094700980 184842247 /nfs/dbraw/zinc/84/22/47/184842247.db2.gz SFYFAGUKPXGWCY-SKDRFNHKSA-N 1 0 267.373 2.090 10 0 CEAERO CCN(CC1CC[NH2+]CC1)C(=O)Cc1cccc(F)c1F ZINC000094713708 184845456 /nfs/dbraw/zinc/84/54/56/184845456.db2.gz PCCBNVDXFUKVDY-UHFFFAOYSA-N 1 0 296.361 2.355 10 0 CEAERO C[C@@H]1CN(Cc2nccs2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000094979424 184909789 /nfs/dbraw/zinc/90/97/89/184909789.db2.gz ORMWABFMKMHGOU-ZWNOBZJWSA-N 1 0 251.399 2.106 10 0 CEAERO CC[C@@H]1CN(Cc2nc(C)cs2)C(C)(C)C[NH2+]1 ZINC000094979754 184909977 /nfs/dbraw/zinc/90/99/77/184909977.db2.gz HECPLWKOMFHLNU-LLVKDONJSA-N 1 0 253.415 2.414 10 0 CEAERO CC[C@@H]1CN(Cc2nccs2)[C@@](C)(CC)C[NH2+]1 ZINC000094979762 184910257 /nfs/dbraw/zinc/91/02/57/184910257.db2.gz VCONMZIIYZGZQC-YPMHNXCESA-N 1 0 253.415 2.496 10 0 CEAERO CCOc1ccc(N2CC[C@H](C[NH2+]C(C)C)C2)cn1 ZINC000094989579 184910791 /nfs/dbraw/zinc/91/07/91/184910791.db2.gz OKJQCTOCCSBTQR-CYBMUJFWSA-N 1 0 263.385 2.305 10 0 CEAERO CC[NH2+][C@@H](C)c1ccnc(-n2nnc3ccccc32)c1 ZINC000095000492 184912677 /nfs/dbraw/zinc/91/26/77/184912677.db2.gz CQXPBAIHLAREQP-NSHDSACASA-N 1 0 267.336 2.486 10 0 CEAERO C[NH2+][C@@H](C)c1ccnc(N(C)Cc2cscn2)c1 ZINC000094999257 184912705 /nfs/dbraw/zinc/91/27/05/184912705.db2.gz QAFHASXHLPVCEB-JTQLQIEISA-N 1 0 262.382 2.455 10 0 CEAERO CC(C)C[C@@H](C[NH+](C)C)Nc1ccc(C(=O)N(C)C)cn1 ZINC000095010649 184914848 /nfs/dbraw/zinc/91/48/48/184914848.db2.gz YMWWMKGQSKCXIL-AWEZNQCLSA-N 1 0 292.427 2.172 10 0 CEAERO Cc1ccn2c(c1)nnc2-c1ccccc1CC[NH3+] ZINC000095022370 184917802 /nfs/dbraw/zinc/91/78/02/184917802.db2.gz OGZIHFWOIAYBEA-UHFFFAOYSA-N 1 0 252.321 2.206 10 0 CEAERO Clc1nccc(COCCC2CC[NH2+]CC2)n1 ZINC000095070146 184932350 /nfs/dbraw/zinc/93/23/50/184932350.db2.gz HJDVRCWUXOQDHR-UHFFFAOYSA-N 1 0 255.749 2.036 10 0 CEAERO O=[S@@](Cc1ccc(Cl)nc1)C[C@H]1CCCC[NH2+]1 ZINC000095069899 184932362 /nfs/dbraw/zinc/93/23/62/184932362.db2.gz ZJXBCVSWCSNLTC-PIGZYNQJSA-N 1 0 272.801 2.126 10 0 CEAERO CCc1ccsc1CNC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000094876881 184886622 /nfs/dbraw/zinc/88/66/22/184886622.db2.gz NNSGZTSAMIUPAF-QWRGUYRKSA-N 1 0 252.383 2.054 10 0 CEAERO Cc1cccc(CN(C)c2nc(C)ccc2C(N)=[NH2+])n1 ZINC000094916980 184893187 /nfs/dbraw/zinc/89/31/87/184893187.db2.gz OJNMMSKQJABLFT-UHFFFAOYSA-N 1 0 269.352 2.014 10 0 CEAERO CCCCOCC[NH2+]CCN(CC)Cc1ccccn1 ZINC000094927763 184894581 /nfs/dbraw/zinc/89/45/81/184894581.db2.gz FAOJIUSKESWJBG-UHFFFAOYSA-N 1 0 279.428 2.310 10 0 CEAERO C[C@H](CCCO)[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000094942479 184897965 /nfs/dbraw/zinc/89/79/65/184897965.db2.gz IJDYCSYYYVPDAQ-CHWSQXEVSA-N 1 0 251.370 2.464 10 0 CEAERO CC[C@@H](CCO)C[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000094954150 184903182 /nfs/dbraw/zinc/90/31/82/184903182.db2.gz NUPVNQGZRQMJCB-KBPBESRZSA-N 1 0 287.469 2.429 10 0 CEAERO Cc1cc(F)ccc1CCNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000094956009 184903623 /nfs/dbraw/zinc/90/36/23/184903623.db2.gz FJUGIPNMZVUVPF-DZGCQCFKSA-N 1 0 278.371 2.168 10 0 CEAERO CC[C@H](CC[NH3+])CNC(=O)Nc1ccc(OC)cc1 ZINC000094962235 184906522 /nfs/dbraw/zinc/90/65/22/184906522.db2.gz VTYLAONHAGVKGZ-LLVKDONJSA-N 1 0 265.357 2.192 10 0 CEAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000282257870 195554105 /nfs/dbraw/zinc/55/41/05/195554105.db2.gz GWUKYLQIQMUHMF-SKDRFNHKSA-N 1 0 252.745 2.097 10 0 CEAERO COc1cccc(Cl)c1CN[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400712780 533560915 /nfs/dbraw/zinc/56/09/15/533560915.db2.gz DVSANVXTLQVXSD-MNOVXSKESA-N 1 0 268.788 2.436 10 0 CEAERO CSC[C@@H](O)C[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000189903824 130036601 /nfs/dbraw/zinc/03/66/01/130036601.db2.gz WSDWWSRDAZTRSS-DOMZBBRYSA-N 1 0 291.420 2.247 10 0 CEAERO CCNC(=O)c1ccc(Cl)cc1NC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000192001271 130347614 /nfs/dbraw/zinc/34/76/14/130347614.db2.gz QHNHFAAOTZPPPT-IUCAKERBSA-N 1 0 297.786 2.012 10 0 CEAERO O[C@@H]1CCC[C@@H]1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000224298637 130800786 /nfs/dbraw/zinc/80/07/86/130800786.db2.gz ZDUYUZQDKCAPNM-RHSMWYFYSA-N 1 0 274.408 2.406 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@@H](C)[C@H](OC)c1ccccc1F ZINC000262095344 131190660 /nfs/dbraw/zinc/19/06/60/131190660.db2.gz BLJOYGRTXCPUBD-BPNCWPANSA-N 1 0 282.359 2.145 10 0 CEAERO c1ccc2c(c1)[nH+]ccc2N1CC[C@@H](N2CCOCC2)C1 ZINC000173976260 285526240 /nfs/dbraw/zinc/52/62/40/285526240.db2.gz BDMRWAYPYGNVJM-CQSZACIVSA-N 1 0 283.375 2.146 10 0 CEAERO CCc1nc(-c2cccnc2)cc(N2CCC(C[NH3+])CC2)n1 ZINC000070456183 134442130 /nfs/dbraw/zinc/44/21/30/134442130.db2.gz MKOOEGCDJXSCAP-UHFFFAOYSA-N 1 0 297.406 2.276 10 0 CEAERO CC[NH2+][C@@H](C)[C@@H](C)N1CCN(c2ccccc2OC)CC1 ZINC000043817884 134907471 /nfs/dbraw/zinc/90/74/71/134907471.db2.gz UOVFXJGZWJXIOX-LSDHHAIUSA-N 1 0 291.439 2.204 10 0 CEAERO CCNC(=O)[C@H](C)N1CC[C@H]([NH2+]CC)c2ccccc21 ZINC000071377956 134965177 /nfs/dbraw/zinc/96/51/77/134965177.db2.gz MRRTZPBKDODGIQ-JSGCOSHPSA-N 1 0 275.396 2.072 10 0 CEAERO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCc2ccccc21 ZINC000082322404 135006723 /nfs/dbraw/zinc/00/67/23/135006723.db2.gz YDLFDVAYMKAGCD-OAHLLOKOSA-N 1 0 258.365 2.450 10 0 CEAERO C[C@@H]1CN(c2ccc(C(F)(F)F)nc2)[C@@H](C)C[NH2+]1 ZINC000083431690 135020821 /nfs/dbraw/zinc/02/08/21/135020821.db2.gz CQJKXZWJOGGURK-BDAKNGLRSA-N 1 0 259.275 2.287 10 0 CEAERO COc1ccc(OC)c(N2CC[NH2+][C@H](C(C)C)C2)c1 ZINC000083479369 135023737 /nfs/dbraw/zinc/02/37/37/135023737.db2.gz KXTKRIBDVNEHPE-ZDUSSCGKSA-N 1 0 264.369 2.138 10 0 CEAERO [NH3+]C[C@]1(N2CCCc3ccccc32)CCCOCC1 ZINC000086874798 135048435 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CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCSC(C)(C)C2)C1 ZINC000132278030 394927104 /nfs/dbraw/zinc/92/71/04/394927104.db2.gz DMPWTAOBYVRNCQ-OLZOCXBDSA-N 1 0 299.484 2.252 10 0 CEAERO CO[C@H]1C[C@@H](CN(C)C(=O)c2occc2C(C)C)[N@H+](C)C1 ZINC000285336682 394956476 /nfs/dbraw/zinc/95/64/76/394956476.db2.gz VWGJIMXRMXBRGW-STQMWFEESA-N 1 0 294.395 2.194 10 0 CEAERO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCCc3c2cnn3C)C1 ZINC000152975972 394999698 /nfs/dbraw/zinc/99/96/98/394999698.db2.gz PKWGZEIJCOVEQE-YUELXQCFSA-N 1 0 276.428 2.116 10 0 CEAERO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CC1(C(N)=O)CCOCC1 ZINC000153180324 395001045 /nfs/dbraw/zinc/00/10/45/395001045.db2.gz HKPPTAXPGWLRFT-UONOGXRCSA-N 1 0 296.455 2.463 10 0 CEAERO Cc1cccc(CSCC(=O)N2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC000423648732 394961753 /nfs/dbraw/zinc/96/17/53/394961753.db2.gz RTTXZRZKHARJGG-TZMCWYRMSA-N 1 0 278.421 2.176 10 0 CEAERO CC(C)(C)[C@H]([NH3+])C(=O)N[C@H]1CCO[C@@H]1c1ccccc1 ZINC000161623521 395064196 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267.373 2.058 10 0 CEAERO CCN1CCC[C@H]([NH2+]Cc2cnn(C(C)C)c2)C1 ZINC000226242229 153329805 /nfs/dbraw/zinc/32/98/05/153329805.db2.gz DARWSQZXTYWIKQ-AWEZNQCLSA-N 1 0 250.390 2.038 10 0 CEAERO O=C(CC[N@H+]1CC[C@H](CCO)C1)Nc1ccccc1Cl ZINC000227570475 153348409 /nfs/dbraw/zinc/34/84/09/153348409.db2.gz KETTYEVOZYDOCG-GFCCVEGCSA-N 1 0 296.798 2.373 10 0 CEAERO CCCCOC[C@H](O)C[N@@H+]1CCSC(C)(C)CC1 ZINC000228087868 153358470 /nfs/dbraw/zinc/35/84/70/153358470.db2.gz LHVUVRXPPATKAQ-CYBMUJFWSA-N 1 0 275.458 2.382 10 0 CEAERO Cc1cnc([C@H](C)N[C@H](C)C(=O)NC2CCCCC2)o1 ZINC000230642596 153396315 /nfs/dbraw/zinc/39/63/15/153396315.db2.gz IMRFHFLNOFUKRN-NEPJUHHUSA-N 1 0 279.384 2.471 10 0 CEAERO FC(F)(F)c1cc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)ccn1 ZINC000261572308 153768012 /nfs/dbraw/zinc/76/80/12/153768012.db2.gz STOJSDXDIYPVLP-ZJUUUORDSA-N 1 0 271.286 2.431 10 0 CEAERO COc1ccc(CN2CC[C@H]([NH3+])C(C)(C)C2)cc1OC ZINC000261637423 153792288 /nfs/dbraw/zinc/79/22/88/153792288.db2.gz 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ZINC000177323017 165195538 /nfs/dbraw/zinc/19/55/38/165195538.db2.gz SUHXWVLLSNNCSJ-HUUCEWRRSA-N 1 0 276.380 2.297 10 0 CEAERO CCC(CC)NC(=O)[C@@H](C)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000177694398 165205663 /nfs/dbraw/zinc/20/56/63/165205663.db2.gz YMORMBHTAWFHSE-HIFRSBDPSA-N 1 0 283.460 2.096 10 0 CEAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCOC(C)(C)C ZINC000178289901 165230138 /nfs/dbraw/zinc/23/01/38/165230138.db2.gz ORXROUCVEXXWKR-CQSZACIVSA-N 1 0 265.401 2.471 10 0 CEAERO Cc1cc(O[C@H](C)C(=O)NCC[C@@H](C)[NH3+])ccc1Cl ZINC000178675584 165251838 /nfs/dbraw/zinc/25/18/38/165251838.db2.gz FIIQJALOZLNFEY-GHMZBOCLSA-N 1 0 284.787 2.269 10 0 CEAERO CCCn1cc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)cn1 ZINC000180126902 165296183 /nfs/dbraw/zinc/29/61/83/165296183.db2.gz LARCGDFLEZWUTP-MRXNPFEDSA-N 1 0 287.411 2.463 10 0 CEAERO CCC[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(OC)cc1 ZINC000180493550 165311806 /nfs/dbraw/zinc/31/18/06/165311806.db2.gz HSWHNWIHURVNFZ-IRXDYDNUSA-N 1 0 292.423 2.457 10 0 CEAERO CC[C@@H]1C[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)CCO1 ZINC000180532089 165313979 /nfs/dbraw/zinc/31/39/79/165313979.db2.gz NAHMWTKQSBWFPY-BZUAXINKSA-N 1 0 296.455 2.428 10 0 CEAERO CSCCCCCCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000182191806 165367303 /nfs/dbraw/zinc/36/73/03/165367303.db2.gz CNFHUSYJCIVQRT-AWEZNQCLSA-N 1 0 299.484 2.399 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H](C)C(C)C ZINC000246585979 287221761 /nfs/dbraw/zinc/22/17/61/287221761.db2.gz ZYNMVJMXUQABHI-MGPQQGTHSA-N 1 0 267.417 2.299 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCOC(C)(C)C ZINC000175040789 287224570 /nfs/dbraw/zinc/22/45/70/287224570.db2.gz VWQPENYBXAZKKZ-ZIAGYGMSSA-N 1 0 254.418 2.360 10 0 CEAERO CC(C)(C)[NH+]1CCC(O)(CNC(=O)c2ccccc2)CC1 ZINC000005284000 170082767 /nfs/dbraw/zinc/08/27/67/170082767.db2.gz BYWKJUUDLXFYRK-UHFFFAOYSA-N 1 0 290.407 2.042 10 0 CEAERO CCCCCC[N@@H+]1C[C@H](C(=O)OCC)[C@H](C(=O)OCC)C1 ZINC000005308551 170084743 /nfs/dbraw/zinc/08/47/43/170084743.db2.gz QYVHWJKSCFHEIK-OKILXGFUSA-N 1 0 299.411 2.241 10 0 CEAERO Cc1ccc(NC(=O)CCC[NH3+])c(Br)c1 ZINC000011755459 170438630 /nfs/dbraw/zinc/43/86/30/170438630.db2.gz ZURLGLPRMBZCIK-UHFFFAOYSA-N 1 0 271.158 2.435 10 0 CEAERO [NH3+][C@H](Cn1cccn1)c1cccc(Br)c1 ZINC000011848812 170446764 /nfs/dbraw/zinc/44/67/64/170446764.db2.gz RWWNMBNGUKOOPH-LLVKDONJSA-N 1 0 266.142 2.346 10 0 CEAERO COc1cc(Oc2cc(C)ncn2)ccc1C[C@@H](C)[NH3+] ZINC000011849425 170447303 /nfs/dbraw/zinc/44/73/03/170447303.db2.gz KADDTPYOINMGKK-SNVBAGLBSA-N 1 0 273.336 2.476 10 0 CEAERO COc1ccc(NC(=O)[C@H]2CCC[C@@H](C)[NH2+]2)c(OC)c1 ZINC000019424532 170793970 /nfs/dbraw/zinc/79/39/70/170793970.db2.gz OAOCALLEGFGSPK-ZWNOBZJWSA-N 1 0 278.352 2.173 10 0 CEAERO COc1ccccc1C(=O)N(C)CC[C@H]1CCCC[NH2+]1 ZINC000019843747 170891819 /nfs/dbraw/zinc/89/18/19/170891819.db2.gz KMTAHNOVNUMCGG-CYBMUJFWSA-N 1 0 276.380 2.299 10 0 CEAERO CN(C)C[C@@H]([NH2+][C@@H]1CCSC1)c1ccccc1 ZINC000020129268 171016794 /nfs/dbraw/zinc/01/67/94/171016794.db2.gz KFJIFFBHIWODRB-ZIAGYGMSSA-N 1 0 250.411 2.384 10 0 CEAERO CSCCC[NH2+]C[C@H]1COc2ccccc2O1 ZINC000020138181 171025590 /nfs/dbraw/zinc/02/55/90/171025590.db2.gz JFXMRYYMSVNGEL-NSHDSACASA-N 1 0 253.367 2.169 10 0 CEAERO [NH3+]CCN(C(=O)c1ccc2c(c1)OCO2)C1CCCCC1 ZINC000020183566 171046641 /nfs/dbraw/zinc/04/66/41/171046641.db2.gz GCZBECXYEPSOGV-UHFFFAOYSA-N 1 0 290.363 2.149 10 0 CEAERO [NH3+]CCc1csc(NCCc2ccc(F)cc2)n1 ZINC000020185300 171047884 /nfs/dbraw/zinc/04/78/84/171047884.db2.gz NUDGEJLIADAXGY-UHFFFAOYSA-N 1 0 265.357 2.438 10 0 CEAERO C=COCCC[NH2+]Cc1ccc(OC)cc1OC ZINC000020197032 171061438 /nfs/dbraw/zinc/06/14/38/171061438.db2.gz SOIHOZKWKFLOQJ-UHFFFAOYSA-N 1 0 251.326 2.344 10 0 CEAERO [NH3+]CCOc1ccc(NC(=O)c2cccs2)cc1 ZINC000020224537 171087201 /nfs/dbraw/zinc/08/72/01/171087201.db2.gz ZHCYXRDDNSBBIM-UHFFFAOYSA-N 1 0 262.334 2.338 10 0 CEAERO COc1cccc(CN(C)[C@H](C[NH3+])c2ccco2)c1 ZINC000020225261 171087563 /nfs/dbraw/zinc/08/75/63/171087563.db2.gz JOECKFCGMFNHRD-CQSZACIVSA-N 1 0 260.337 2.420 10 0 CEAERO [NH3+]CCOc1ccc(NC(=O)c2ccccc2)cc1 ZINC000020224538 171087648 /nfs/dbraw/zinc/08/76/48/171087648.db2.gz SRMQGNFAFBAEJF-UHFFFAOYSA-N 1 0 256.305 2.276 10 0 CEAERO COc1ccccc1CN(C)[C@@H](C[NH3+])c1ccco1 ZINC000020225258 171087711 /nfs/dbraw/zinc/08/77/11/171087711.db2.gz KTEKBFNCSKDJPG-ZDUSSCGKSA-N 1 0 260.337 2.420 10 0 CEAERO COc1ccc([C@@H](C[NH3+])N(C)CC2CC2)cc1OC ZINC000020226356 171091311 /nfs/dbraw/zinc/09/13/11/171091311.db2.gz RQNPZKGJNVTGPF-CYBMUJFWSA-N 1 0 264.369 2.045 10 0 CEAERO COc1ccc(N(CCC[NH3+])C(=O)C(C)C)cc1 ZINC000020233723 171095351 /nfs/dbraw/zinc/09/53/51/171095351.db2.gz FDYWXMUISXWZLP-UHFFFAOYSA-N 1 0 250.342 2.033 10 0 CEAERO CCN(CC[NH3+])c1cc(OC)c(Cl)cc1OC ZINC000020240138 171097267 /nfs/dbraw/zinc/09/72/67/171097267.db2.gz ZIVFIOGNFMBETO-UHFFFAOYSA-N 1 0 258.749 2.142 10 0 CEAERO O=C(Nc1ccc(N2CCCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000020269836 171125480 /nfs/dbraw/zinc/12/54/80/171125480.db2.gz XMUAAKWIBYSJNA-ZDUSSCGKSA-N 1 0 273.380 2.225 10 0 CEAERO CC(C)CNC(=O)[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC000020316329 171146990 /nfs/dbraw/zinc/14/69/90/171146990.db2.gz DGSIBVJHIHUSOV-LLVKDONJSA-N 1 0 252.333 2.076 10 0 CEAERO CCN(CC)CC[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000020362938 171161667 /nfs/dbraw/zinc/16/16/67/171161667.db2.gz QFLZETVREJIXGO-UHFFFAOYSA-N 1 0 250.386 2.440 10 0 CEAERO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]CCc1ccc(OC)cc1 ZINC000020364310 171162702 /nfs/dbraw/zinc/16/27/02/171162702.db2.gz KUOUCYDEYRDUDK-OLZOCXBDSA-N 1 0 278.396 2.131 10 0 CEAERO CCC[C@@H](C)NC(=O)[C@@H](C)NCCC[NH+](CC)CC ZINC000020365732 171164359 /nfs/dbraw/zinc/16/43/59/171164359.db2.gz YJCNPWMGJHMQQF-ZIAGYGMSSA-N 1 0 271.449 2.001 10 0 CEAERO CC(C)CNC(=O)[C@@H](C)Oc1ccc([C@@H](C)[NH3+])cc1 ZINC000020419334 171183916 /nfs/dbraw/zinc/18/39/16/171183916.db2.gz YCTUVNLTCYMOEB-VXGBXAGGSA-N 1 0 264.369 2.246 10 0 CEAERO CC[C@@H]([NH3+])c1ccccc1O[C@@H](C)C(=O)NC(C)C ZINC000020419930 171185390 /nfs/dbraw/zinc/18/53/90/171185390.db2.gz XVFSVODHWBKWDM-WCQYABFASA-N 1 0 264.369 2.388 10 0 CEAERO CN(c1cccc(Cl)c1CO)C1CC[NH+](C)CC1 ZINC000020434994 171200954 /nfs/dbraw/zinc/20/09/54/171200954.db2.gz DWLZTMSWXLVOPV-UHFFFAOYSA-N 1 0 268.788 2.363 10 0 CEAERO c1cn(CCC[NH2+][C@H]2CCOc3ccccc32)cn1 ZINC000020506131 171228436 /nfs/dbraw/zinc/22/84/36/171228436.db2.gz JTFFZBIBNFMHLS-AWEZNQCLSA-N 1 0 257.337 2.387 10 0 CEAERO CCCCC[C@@H](C[NH3+])N1CCN(c2nccs2)CC1 ZINC000020520674 171233849 /nfs/dbraw/zinc/23/38/49/171233849.db2.gz RQSGEFNXYABAGW-ZDUSSCGKSA-N 1 0 282.457 2.173 10 0 CEAERO CCC[C@H](C)NS(=O)(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000021515405 171312135 /nfs/dbraw/zinc/31/21/35/171312135.db2.gz BRMWWJACKAJTIN-QWRGUYRKSA-N 1 0 270.398 2.173 10 0 CEAERO [NH3+]Cc1cccc(NC(=O)c2ccc3c(c2)OCO3)c1 ZINC000021965416 171343427 /nfs/dbraw/zinc/34/34/27/171343427.db2.gz CISNOOOMEZEIRX-UHFFFAOYSA-N 1 0 270.288 2.126 10 0 CEAERO C[C@@H]1C[NH+](CCCC(=O)Nc2ccccc2N)C[C@@H](C)O1 ZINC000022154646 171361358 /nfs/dbraw/zinc/36/13/58/171361358.db2.gz RNKZOLZRZOIOIR-CHWSQXEVSA-N 1 0 291.395 2.097 10 0 CEAERO COc1ccc(N)cc1NC(=O)[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000022167676 171366867 /nfs/dbraw/zinc/36/68/67/171366867.db2.gz UEMRMBXYRKYPDD-NWDGAFQWSA-N 1 0 291.395 2.479 10 0 CEAERO [NH3+]Cc1cccc(NC(=O)Cn2cnc3ccccc32)c1 ZINC000022168829 171367345 /nfs/dbraw/zinc/36/73/45/171367345.db2.gz NKMVCJNSDWLGQA-UHFFFAOYSA-N 1 0 280.331 2.134 10 0 CEAERO C[C@@H]1CN([C@H](C[NH3+])c2ccccc2Cl)C[C@H](C)O1 ZINC000022169977 171367928 /nfs/dbraw/zinc/36/79/28/171367928.db2.gz NEXRPJBJQLTLSX-UHIISALHSA-N 1 0 268.788 2.449 10 0 CEAERO [NH3+]Cc1ccccc1S(=O)(=O)Nc1ccc(F)cc1 ZINC000022174590 171369854 /nfs/dbraw/zinc/36/98/54/171369854.db2.gz BUDWWSJNFCZSAF-UHFFFAOYSA-N 1 0 280.324 2.085 10 0 CEAERO CC[C@@H](C)NC(=O)COc1ccc([C@@H]([NH3+])CC)cc1 ZINC000022175725 171370397 /nfs/dbraw/zinc/37/03/97/171370397.db2.gz RFMMNUBGTPQJGO-RISCZKNCSA-N 1 0 264.369 2.390 10 0 CEAERO [NH3+]Cc1ccc(NC(=O)CCOC2CCCC2)cc1 ZINC000022213544 171374285 /nfs/dbraw/zinc/37/42/85/171374285.db2.gz RGIGLMPYKYEMFC-UHFFFAOYSA-N 1 0 262.353 2.433 10 0 CEAERO COc1ccc([C@@H](C[NH3+])N(C)C(C)C)c(OC)c1OC ZINC000022214780 171375351 /nfs/dbraw/zinc/37/53/51/171375351.db2.gz CRDYTJOEWKBROA-GFCCVEGCSA-N 1 0 282.384 2.052 10 0 CEAERO [NH3+]Cc1ccccc1NC(=O)COC1CCCCC1 ZINC000022218908 171376720 /nfs/dbraw/zinc/37/67/20/171376720.db2.gz KDTCJLVJNRBFGM-UHFFFAOYSA-N 1 0 262.353 2.433 10 0 CEAERO Nc1ccc2nc(NC(=O)CC[NH+]3CCCC3)sc2c1 ZINC000022221352 171378302 /nfs/dbraw/zinc/37/83/02/171378302.db2.gz LQNYPHLYXSDKPY-UHFFFAOYSA-N 1 0 290.392 2.303 10 0 CEAERO C[C@H]1C[C@H](C)C[NH+](C[C@@H](N)c2ccc3c(c2)OCCO3)C1 ZINC000022564388 171391589 /nfs/dbraw/zinc/39/15/89/171391589.db2.gz INIYYPPDYIZEKI-KCQAQPDRSA-N 1 0 290.407 2.436 10 0 CEAERO CCOc1ccc(O[C@H]2CC3(CC[C@H]2[NH3+])OCCO3)cc1 ZINC000023069852 171410029 /nfs/dbraw/zinc/41/00/29/171410029.db2.gz DGPJEQLERZZRGO-CABCVRRESA-N 1 0 293.363 2.087 10 0 CEAERO CC[C@@](O)(C[NH2+]C)c1ccc(Br)cc1 ZINC000032110494 171702552 /nfs/dbraw/zinc/70/25/52/171702552.db2.gz CLTUSSCLAPSXIC-LLVKDONJSA-N 1 0 258.159 2.266 10 0 CEAERO C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000034962608 171906321 /nfs/dbraw/zinc/90/63/21/171906321.db2.gz QJXKGPPNXVSISA-UHFFFAOYSA-N 1 0 272.142 2.330 10 0 CEAERO C[C@H]([NH2+]CCc1cccc(F)c1)C(=O)NC(C)(C)C ZINC000035143029 172010091 /nfs/dbraw/zinc/01/00/91/172010091.db2.gz MHVYQQLUDNRQKA-NSHDSACASA-N 1 0 266.360 2.261 10 0 CEAERO CCCCNC(=O)[C@H](C)[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000035206941 172051844 /nfs/dbraw/zinc/05/18/44/172051844.db2.gz LSPLDYHNERZITB-LBPRGKRZSA-N 1 0 294.395 2.098 10 0 CEAERO CCN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000035223333 172066950 /nfs/dbraw/zinc/06/69/50/172066950.db2.gz HNHQHSGKXAHTKQ-XJKSGUPXSA-N 1 0 274.408 2.390 10 0 CEAERO C[C@]1([NH2+]Cc2ccc(Cl)s2)CCS(=O)(=O)C1 ZINC000035223139 172067414 /nfs/dbraw/zinc/06/74/14/172067414.db2.gz OOLAMWBATGWNIF-JTQLQIEISA-N 1 0 279.814 2.068 10 0 CEAERO COC[C@H](C)NC1=[NH+]C[C@H](c2ccccc2)S1 ZINC000035294482 172106111 /nfs/dbraw/zinc/10/61/11/172106111.db2.gz XLBPOHJHFGTLOW-CMPLNLGQSA-N 1 0 250.367 2.455 10 0 CEAERO C[NH2+]Cc1cccc(OC)c1OCc1ccccn1 ZINC000035413545 172185981 /nfs/dbraw/zinc/18/59/81/172185981.db2.gz JQKOTCBFZRQIFW-UHFFFAOYSA-N 1 0 258.321 2.389 10 0 CEAERO C[NH2+]Cc1c(N2CCC[C@@H](C)C2)nc2sccn12 ZINC000035429685 172198297 /nfs/dbraw/zinc/19/82/97/172198297.db2.gz FLVGDDVXINRIQV-SNVBAGLBSA-N 1 0 264.398 2.352 10 0 CEAERO C[NH2+][C@@H](c1cnn(C)c1)c1ccc(Br)cc1 ZINC000035500324 172234048 /nfs/dbraw/zinc/23/40/48/172234048.db2.gz UAILBYUYTNWEHF-GFCCVEGCSA-N 1 0 280.169 2.491 10 0 CEAERO Cc1ccc(OCC(=O)NC(C)(C)C)c([C@@H](C)[NH3+])c1 ZINC000035629460 172309590 /nfs/dbraw/zinc/30/95/90/172309590.db2.gz ICFPANZSHPQEMZ-LLVKDONJSA-N 1 0 264.369 2.308 10 0 CEAERO Cc1ccc(OCC(=O)N2CCCCC2)c([C@@H](C)[NH3+])c1 ZINC000035629394 172309876 /nfs/dbraw/zinc/30/98/76/172309876.db2.gz LBSVCSPJOZCUNP-CYBMUJFWSA-N 1 0 276.380 2.406 10 0 CEAERO COc1ccc(C2(C[NH3+])CCC3(CC2)OCCO3)cc1 ZINC000035630118 172311750 /nfs/dbraw/zinc/31/17/50/172311750.db2.gz ZIWYROVHONPHJX-UHFFFAOYSA-N 1 0 277.364 2.209 10 0 CEAERO CCC(CC)NS(=O)(=O)c1cccc([C@@H](C)[NH2+]C)c1 ZINC000035632909 172316530 /nfs/dbraw/zinc/31/65/30/172316530.db2.gz LPSLJJQVRYHJBJ-LLVKDONJSA-N 1 0 284.425 2.434 10 0 CEAERO C[C@@H](NC(=O)c1ccc(F)cc1)[C@H]1CCCC[NH2+]1 ZINC000035690670 172359349 /nfs/dbraw/zinc/35/93/49/172359349.db2.gz JRXMWWHNSHBULR-ZWNOBZJWSA-N 1 0 250.317 2.086 10 0 CEAERO C[C@H](NC(=O)c1ccc(C[NH3+])cc1)c1ccncc1 ZINC000035692911 172361599 /nfs/dbraw/zinc/36/15/99/172361599.db2.gz GGUNMBWOLXMBDN-NSHDSACASA-N 1 0 255.321 2.031 10 0 CEAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccncc1 ZINC000035693329 172362388 /nfs/dbraw/zinc/36/23/88/172362388.db2.gz QNUYFROPYZXMOP-RYUDHWBXSA-N 1 0 263.385 2.426 10 0 CEAERO C[C@H](NC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)c1ccccn1 ZINC000035694935 172363478 /nfs/dbraw/zinc/36/34/78/172363478.db2.gz GYZIRCNYRPORIY-NZBPQXDJSA-N 1 0 273.380 2.180 10 0 CEAERO C[C@@H](NC(=O)[C@H]([NH3+])Cc1ccccc1)c1cccs1 ZINC000035736837 172389996 /nfs/dbraw/zinc/38/99/96/172389996.db2.gz CZYVZORSEYHVDA-DGCLKSJQSA-N 1 0 274.389 2.495 10 0 CEAERO C[NH2+][C@H]1CCS(=O)(=O)c2ccc(C(C)C)cc21 ZINC000035762588 172401893 /nfs/dbraw/zinc/40/18/93/172401893.db2.gz CBWQHJPXJFWLAE-LBPRGKRZSA-N 1 0 253.367 2.248 10 0 CEAERO O=C(Nc1cccc2c(O)cccc12)[C@H]1CCC[NH2+]C1 ZINC000037040565 172910159 /nfs/dbraw/zinc/91/01/59/172910159.db2.gz MBJZNEIWZBRFDB-NSHDSACASA-N 1 0 270.332 2.484 10 0 CEAERO CCCC[C@@H](CC)COCC(=O)N(C)CCC[NH3+] ZINC000037051268 172918600 /nfs/dbraw/zinc/91/86/00/172918600.db2.gz VOKFKGGCUVNZQQ-CYBMUJFWSA-N 1 0 258.406 2.027 10 0 CEAERO CCCN(CC)S(=O)(=O)c1cccc([C@@H](C)[NH3+])c1 ZINC000037095381 172949315 /nfs/dbraw/zinc/94/93/15/172949315.db2.gz GKGFQCLNHQJWMO-LLVKDONJSA-N 1 0 270.398 2.127 10 0 CEAERO COc1ccccc1[C@H](C[NH3+])N(C)[C@H]1CCSC1 ZINC000037174489 173008453 /nfs/dbraw/zinc/00/84/53/173008453.db2.gz JQXUFEJZTNVFQB-AAEUAGOBSA-N 1 0 266.410 2.132 10 0 CEAERO [NH3+]CC[C@H](N1CCc2ccccc2C1)C(F)(F)F ZINC000037178371 173012393 /nfs/dbraw/zinc/01/23/93/173012393.db2.gz WCCBLTDFBSESCX-LBPRGKRZSA-N 1 0 258.287 2.324 10 0 CEAERO CC(C)OCCOC(=O)Nc1ccc(C[NH3+])cc1 ZINC000037222944 173043254 /nfs/dbraw/zinc/04/32/54/173043254.db2.gz ZYWXRZCGZFVDMN-UHFFFAOYSA-N 1 0 252.314 2.119 10 0 CEAERO CCCC[C@H]([NH2+]CC(=O)NC)c1ccc(F)cc1 ZINC000037224701 173044650 /nfs/dbraw/zinc/04/46/50/173044650.db2.gz NLNFRWBMDFJGBW-ZDUSSCGKSA-N 1 0 252.333 2.393 10 0 CEAERO CC(C)[NH2+]Cc1cc(Cl)ccc1OC[C@H](C)C(N)=O ZINC000037226838 173047455 /nfs/dbraw/zinc/04/74/55/173047455.db2.gz QQBARJYBAUAZHM-JTQLQIEISA-N 1 0 284.787 2.338 10 0 CEAERO CCC[NH2+][C@H]1CCN(CCc2ccccc2F)C1 ZINC000037241244 173057765 /nfs/dbraw/zinc/05/77/65/173057765.db2.gz RXQOULMLTWLPKN-AWEZNQCLSA-N 1 0 250.361 2.442 10 0 CEAERO COC(=O)CC[NH2+][C@H](C)c1ccc(C)cc1OC ZINC000037252213 173064739 /nfs/dbraw/zinc/06/47/39/173064739.db2.gz VOMFFJZUZGBROQ-LLVKDONJSA-N 1 0 251.326 2.217 10 0 CEAERO CC(C)C[C@@H](C)[NH2+]Cc1cc(C(N)=O)ccc1F ZINC000037264868 173073376 /nfs/dbraw/zinc/07/33/76/173073376.db2.gz XBIXEQPKVBEHLV-SNVBAGLBSA-N 1 0 252.333 2.449 10 0 CEAERO CC(C)C[C@H](C)[NH2+]Cc1nc2ccccc2c(=O)[nH]1 ZINC000037264725 173073497 /nfs/dbraw/zinc/07/34/97/173073497.db2.gz KGUWSJHENUHGKU-NSHDSACASA-N 1 0 259.353 2.447 10 0 CEAERO Nc1ccc(C[NH+]2CCSCC2)c2ncccc12 ZINC000037272965 173084644 /nfs/dbraw/zinc/08/46/44/173084644.db2.gz LQABMPLVZCMHJQ-UHFFFAOYSA-N 1 0 259.378 2.366 10 0 CEAERO COc1cc(C[NH2+]CC(OC)OC)ccc1OC(C)C ZINC000037388315 173171705 /nfs/dbraw/zinc/17/17/05/173171705.db2.gz UVOWWQRJFDGWTJ-UHFFFAOYSA-N 1 0 283.368 2.191 10 0 CEAERO O=C(C[NH2+]C1CCCC1)Nc1cc(F)cc(F)c1 ZINC000037395443 173176069 /nfs/dbraw/zinc/17/60/69/173176069.db2.gz ZHDAFIBQVGCCQQ-UHFFFAOYSA-N 1 0 254.280 2.436 10 0 CEAERO COc1cc(C[NH2+][C@H](C)[C@H]2CCCO2)cc2c1OCCO2 ZINC000037408439 173185194 /nfs/dbraw/zinc/18/51/94/173185194.db2.gz AEBAYTIAMJWCIG-DGCLKSJQSA-N 1 0 293.363 2.124 10 0 CEAERO COC(=O)CCC[NH2+][C@@H](C)c1nc(C)sc1C ZINC000037415856 173192621 /nfs/dbraw/zinc/19/26/21/173192621.db2.gz FQXDJCHVTAMKJV-QMMMGPOBSA-N 1 0 256.371 2.364 10 0 CEAERO C[C@H](O)[C@H]([NH3+])c1nc2cc(Cl)ccc2n1C1CC1 ZINC000037440804 173210139 /nfs/dbraw/zinc/21/01/39/173210139.db2.gz CJDGUUPKHUSMFN-MADCSZMMSA-N 1 0 265.744 2.405 10 0 CEAERO [NH3+][C@H](CO)c1nc2cc(Br)ccc2n1C1CC1 ZINC000037441939 173211416 /nfs/dbraw/zinc/21/14/16/173211416.db2.gz LOJSWGSIHODHQJ-SECBINFHSA-N 1 0 296.168 2.126 10 0 CEAERO CCN(C(=O)c1c(C)cc(C)cc1C)[C@H]1CC[NH2+]C1 ZINC000037539796 173260904 /nfs/dbraw/zinc/26/09/04/173260904.db2.gz RHDAMDBHVZFIJQ-AWEZNQCLSA-N 1 0 260.381 2.436 10 0 CEAERO C[C@@H]1CC[C@H](C(=O)NCCCc2ccccc2)C[NH2+]1 ZINC000037719651 173637595 /nfs/dbraw/zinc/63/75/95/173637595.db2.gz HBJLYJSKGZHKDK-HIFRSBDPSA-N 1 0 260.381 2.124 10 0 CEAERO CCc1nnc(COc2ccccc2C[C@@H](C)[NH3+])o1 ZINC000037724386 173643235 /nfs/dbraw/zinc/64/32/35/173643235.db2.gz YSBYPXHBEGHCPC-SNVBAGLBSA-N 1 0 261.325 2.101 10 0 CEAERO COc1ccc(CC[C@](C)([NH2+]C2CCCC2)C(N)=O)cc1 ZINC000037969148 173917279 /nfs/dbraw/zinc/91/72/79/173917279.db2.gz XPUOAVBBQINBTL-KRWDZBQOSA-N 1 0 290.407 2.404 10 0 CEAERO Nc1cc(F)c(N[C@H]2C[NH+]3CCC2CC3)c(F)c1 ZINC000038039917 174039460 /nfs/dbraw/zinc/03/94/60/174039460.db2.gz PHTCRXKVVALBHG-LBPRGKRZSA-N 1 0 253.296 2.053 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)c1ccc(OC(F)F)cc1 ZINC000038049334 174060666 /nfs/dbraw/zinc/06/06/66/174060666.db2.gz LWKFDVNDJMWPIE-NWDGAFQWSA-N 1 0 284.306 2.288 10 0 CEAERO CCN(C)[C@H](C[NH3+])c1ccc(OC)c(Br)c1 ZINC000038052091 174063410 /nfs/dbraw/zinc/06/34/10/174063410.db2.gz NJWQJUHWCNDORM-LLVKDONJSA-N 1 0 287.201 2.409 10 0 CEAERO COc1ccc(Cn2cc[nH+]c2N)cc1Br ZINC000038052484 174064074 /nfs/dbraw/zinc/06/40/74/174064074.db2.gz CQNSMXNHZGLLFW-UHFFFAOYSA-N 1 0 282.141 2.285 10 0 CEAERO CC[C@@H](C)[NH2+][C@]1(C(N)=O)CCSc2ccccc21 ZINC000038065300 174075878 /nfs/dbraw/zinc/07/58/78/174075878.db2.gz XIKFQQQAZUDMCG-QMTHXVAHSA-N 1 0 264.394 2.251 10 0 CEAERO COc1ccc([C@H]([NH3+])Cc2ncc[nH]2)cc1Br ZINC000038074059 174083765 /nfs/dbraw/zinc/08/37/65/174083765.db2.gz LLNZMFOYHSNRNE-SNVBAGLBSA-N 1 0 296.168 2.423 10 0 CEAERO [NH3+]C[C@@H](O)COc1ccc2ccccc2c1Br ZINC000038077684 174087867 /nfs/dbraw/zinc/08/78/67/174087867.db2.gz JEMRWCVGUOMRQE-SNVBAGLBSA-N 1 0 296.164 2.301 10 0 CEAERO COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)N(C)C)CCO2 ZINC000038087432 174099275 /nfs/dbraw/zinc/09/92/75/174099275.db2.gz FZHITJRFCFOYQA-RISCZKNCSA-N 1 0 264.369 2.059 10 0 CEAERO c1ccc2c(c1)[nH]c1c2C[C@@H]([NH+]2CCOCC2)CC1 ZINC000039214001 174166295 /nfs/dbraw/zinc/16/62/95/174166295.db2.gz GBSZGBFPTNWPMG-LBPRGKRZSA-N 1 0 256.349 2.357 10 0 CEAERO C[NH+](C)C[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000039952270 174177106 /nfs/dbraw/zinc/17/71/06/174177106.db2.gz QSLUPJBQUKFJDH-CQSZACIVSA-N 1 0 262.353 2.207 10 0 CEAERO COc1ccc(C[NH2+]C[C@@H](C(C)C)N2CCOCC2)cc1 ZINC000040165718 174197810 /nfs/dbraw/zinc/19/78/10/174197810.db2.gz JFDMGUAJBRQWTC-KRWDZBQOSA-N 1 0 292.423 2.142 10 0 CEAERO COCCn1c2cc(Cl)ccc2nc1CCC[NH3+] ZINC000040404877 174254094 /nfs/dbraw/zinc/25/40/94/174254094.db2.gz HMTCCSPHWVPOOW-UHFFFAOYSA-N 1 0 267.760 2.227 10 0 CEAERO C[NH2+]CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000040414467 174255512 /nfs/dbraw/zinc/25/55/12/174255512.db2.gz AVFOWYZBEXIJEN-SSDOTTSWSA-N 1 0 261.152 2.390 10 0 CEAERO CC[N@@H+]1CCC[C@H](N[C@@H](c2ccco2)c2nccn2C)C1 ZINC000040502831 174299170 /nfs/dbraw/zinc/29/91/70/174299170.db2.gz SRWWLPWWYPZSIB-ZFWWWQNUSA-N 1 0 288.395 2.176 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CNc1nc(C)cc(C)c1C(N)=S ZINC000040510112 174304321 /nfs/dbraw/zinc/30/43/21/174304321.db2.gz KZUVUVWFILDUHC-GFCCVEGCSA-N 1 0 292.452 2.229 10 0 CEAERO Cc1cc(C)c(C(N)=S)c(NCCc2cccnc2)[nH+]1 ZINC000040514887 174306454 /nfs/dbraw/zinc/30/64/54/174306454.db2.gz DVCGIJSJORTTFD-UHFFFAOYSA-N 1 0 286.404 2.382 10 0 CEAERO Cc1cc(C)c(C(N)=[NH2+])c(N(C)Cc2cccnc2)n1 ZINC000040515109 174306534 /nfs/dbraw/zinc/30/65/34/174306534.db2.gz CEZMROWLMSYCKW-UHFFFAOYSA-N 1 0 269.352 2.014 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@@H](C)c1sc(C)nc1C ZINC000040519100 174308362 /nfs/dbraw/zinc/30/83/62/174308362.db2.gz UQULMPPOCQELNV-WPRPVWTQSA-N 1 0 255.387 2.065 10 0 CEAERO CC(C)(CNC(=O)NC1CCCCC1)[NH+]1CCCC1 ZINC000040616110 174354264 /nfs/dbraw/zinc/35/42/64/174354264.db2.gz NEMZTGDHUDWHFV-UHFFFAOYSA-N 1 0 267.417 2.493 10 0 CEAERO CCCN(Cc1ccc(C)cc1)C(=O)[C@@H]1C[C@@H](OC)C[NH2+]1 ZINC000040634716 174360877 /nfs/dbraw/zinc/36/08/77/174360877.db2.gz ZMKUBLHAHSKOAX-CVEARBPZSA-N 1 0 290.407 2.111 10 0 CEAERO COc1ccccc1-c1c[nH]c([C@H]2C[C@H](OC)C[NH2+]2)n1 ZINC000040637916 174362621 /nfs/dbraw/zinc/36/26/21/174362621.db2.gz RXDTYRTXYBFVET-CMPLNLGQSA-N 1 0 273.336 2.135 10 0 CEAERO COc1ccc([C@@H](C)[NH2+]CCc2nccn2C)cc1 ZINC000040638714 174363008 /nfs/dbraw/zinc/36/30/08/174363008.db2.gz HAJIVELLSQETDP-GFCCVEGCSA-N 1 0 259.353 2.322 10 0 CEAERO CN(C)C(C)(C)C[NH2+][C@@H]1CCN(CCc2ccccc2)C1 ZINC000040671245 174368780 /nfs/dbraw/zinc/36/87/80/174368780.db2.gz SCQGSAJXVNYTLK-QGZVFWFLSA-N 1 0 289.467 2.233 10 0 CEAERO CC(C)([NH2+][C@@H]1CCSc2c(F)cccc21)C(N)=O ZINC000040674668 174373586 /nfs/dbraw/zinc/37/35/86/174373586.db2.gz IUGUUBCZDAZUCL-SNVBAGLBSA-N 1 0 268.357 2.216 10 0 CEAERO CCOC1CCN([C@@H](C[NH3+])c2c(F)cccc2F)CC1 ZINC000040689127 174375815 /nfs/dbraw/zinc/37/58/15/174375815.db2.gz DZECWLXAMSIOFN-AWEZNQCLSA-N 1 0 284.350 2.466 10 0 CEAERO C[C@@H]1CC[N@H+](CCCC(=O)Nc2cccc(N)c2)C1 ZINC000040716838 174384482 /nfs/dbraw/zinc/38/44/82/174384482.db2.gz AWUGLGXRWZJGCK-GFCCVEGCSA-N 1 0 261.369 2.329 10 0 CEAERO Cc1nn(CCC(=O)Nc2ccc(C[NH3+])cc2)c(C)c1C ZINC000040728964 174388248 /nfs/dbraw/zinc/38/82/48/174388248.db2.gz HROYNBUAMJCERS-UHFFFAOYSA-N 1 0 286.379 2.296 10 0 CEAERO CCc1c(C)nn(CC(=O)Nc2ccccc2C[NH3+])c1C ZINC000040731797 174388683 /nfs/dbraw/zinc/38/86/83/174388683.db2.gz FUOJNMKRBUEVKZ-UHFFFAOYSA-N 1 0 286.379 2.160 10 0 CEAERO Cc1cccn2cc(CN(C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)nc12 ZINC000040747043 174392667 /nfs/dbraw/zinc/39/26/67/174392667.db2.gz KFCQUPSDVBZVIC-MZBDJJRSSA-N 1 0 284.407 2.358 10 0 CEAERO CCCN(c1ccc(C(N)=O)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748886 174393710 /nfs/dbraw/zinc/39/37/10/174393710.db2.gz SEWDMKKSDJAAFZ-MZBDJJRSSA-N 1 0 287.407 2.285 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c(c1)CCC2 ZINC000040749688 174394565 /nfs/dbraw/zinc/39/45/65/174394565.db2.gz MTGHYRFVDYORBO-MQVJKMGUSA-N 1 0 270.376 2.270 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1nnc(-c2cccs2)o1 ZINC000040750047 174395099 /nfs/dbraw/zinc/39/50/99/174395099.db2.gz FJERGAVFJGOGKQ-FGWVZKOKSA-N 1 0 290.392 2.252 10 0 CEAERO Cc1cc(C)c(CO)c(N(C)CCc2ccncc2)[nH+]1 ZINC000040879066 174427124 /nfs/dbraw/zinc/42/71/24/174427124.db2.gz FLQOITGMZHFVQK-UHFFFAOYSA-N 1 0 271.364 2.265 10 0 CEAERO COc1ccc(C[C@H](C)[NH3+])c(OCc2ccno2)c1 ZINC000040905091 174430396 /nfs/dbraw/zinc/43/03/96/174430396.db2.gz BSPZAJPLXLVCTJ-JTQLQIEISA-N 1 0 262.309 2.152 10 0 CEAERO CCOC(=O)c1c(C2CC2)csc1NC(=O)C(C)(C)[NH3+] ZINC000040925421 174435304 /nfs/dbraw/zinc/43/53/04/174435304.db2.gz SHCQUBKZQJTUQM-UHFFFAOYSA-N 1 0 296.392 2.478 10 0 CEAERO [NH3+]CCC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000040954742 174438691 /nfs/dbraw/zinc/43/86/91/174438691.db2.gz MROSHWORVMVICF-AWEZNQCLSA-N 1 0 252.166 2.450 10 0 CEAERO C[C@@H]1C[C@@H](O)C[N@H+](Cc2ccnc3ccccc23)C1 ZINC000401700598 414753172 /nfs/dbraw/zinc/75/31/72/414753172.db2.gz NKXRGBXZKMVSDD-TZMCWYRMSA-N 1 0 256.349 2.438 10 0 CEAERO C[C@H](NC(=O)CCCC[NH3+])c1cc(F)ccc1F ZINC000070201797 414767689 /nfs/dbraw/zinc/76/76/89/414767689.db2.gz YGSXFKRTWATONG-VIFPVBQESA-N 1 0 256.296 2.271 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H]1CC2CCC1CC2 ZINC000400191356 414747744 /nfs/dbraw/zinc/74/77/44/414747744.db2.gz ZVNLOVBKKRZUBJ-YOMYCBHVSA-N 1 0 252.402 2.302 10 0 CEAERO O[C@@H](Cc1ccc(Br)cc1)[C@@H]1CCC[NH2+]C1 ZINC000041458240 174554867 /nfs/dbraw/zinc/55/48/67/174554867.db2.gz OSKVNRDLSLEZRS-YPMHNXCESA-N 1 0 284.197 2.352 10 0 CEAERO O[C@H](Cc1cccc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000041458219 174554924 /nfs/dbraw/zinc/55/49/24/174554924.db2.gz WKGNXPJCKIGGDK-DGCLKSJQSA-N 1 0 284.197 2.352 10 0 CEAERO CCc1ccc([C@@H](C)NC[C@@H](O)C[N@@H+](C)CC)cc1 ZINC000311453119 414860965 /nfs/dbraw/zinc/86/09/65/414860965.db2.gz JTNLBAZRFNFZHG-CZUORRHYSA-N 1 0 264.413 2.212 10 0 CEAERO CC1([NH2+]C[C@@H](O)c2ccc3c(c2)OCCO3)CCCC1 ZINC000042186235 174652803 /nfs/dbraw/zinc/65/28/03/174652803.db2.gz FVCZQUUSWFKPJG-CYBMUJFWSA-N 1 0 277.364 2.414 10 0 CEAERO O=C(N[C@@H]1CC12CCCCC2)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653152772 414927945 /nfs/dbraw/zinc/92/79/45/414927945.db2.gz YZYXZBMAZILAMZ-GMTAPVOTSA-N 1 0 290.329 2.223 10 0 CEAERO Cc1cc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)ccc1F ZINC000653064717 414893877 /nfs/dbraw/zinc/89/38/77/414893877.db2.gz BPNHOHUMPBLVGH-NXEZZACHSA-N 1 0 290.260 2.471 10 0 CEAERO Cc1csc2c1ncnc2NCC12CC(C1)C[NH2+]2 ZINC000663274033 414900323 /nfs/dbraw/zinc/90/03/23/414900323.db2.gz KWLKZOOAHDFFMN-UHFFFAOYSA-N 1 0 260.366 2.164 10 0 CEAERO O[C@@H]1C[C@H]([NH2+]Cc2cccc(C3CC3)c2)[C@H]1n1cccn1 ZINC000657516184 414985619 /nfs/dbraw/zinc/98/56/19/414985619.db2.gz BKXMOMZBTZMNOV-GVDBMIGSSA-N 1 0 283.375 2.225 10 0 CEAERO O[C@@H]1C[C@H]([NH2+]Cc2ccc(C3CC3)cc2)[C@H]1n1cccn1 ZINC000657517205 414986719 /nfs/dbraw/zinc/98/67/19/414986719.db2.gz UDBXYPLAVXSIFH-GVDBMIGSSA-N 1 0 283.375 2.225 10 0 CEAERO CC(C)Oc1ccccc1C[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000657694407 415050352 /nfs/dbraw/zinc/05/03/52/415050352.db2.gz LUOAAFSJOXEDFU-CYBMUJFWSA-N 1 0 276.380 2.042 10 0 CEAERO CN1C[C@@H](C[NH2+]Cc2ccc(Cl)c(F)c2)CC1=O ZINC000657695826 415050748 /nfs/dbraw/zinc/05/07/48/415050748.db2.gz FHPCYTXUXVPRRN-SNVBAGLBSA-N 1 0 270.735 2.047 10 0 CEAERO CN1C[C@@H](C[NH2+][C@H]2CCCC(C)(C)CC2)CC1=O ZINC000657695827 415051236 /nfs/dbraw/zinc/05/12/36/415051236.db2.gz BVIXQQKVQSYUMT-OLZOCXBDSA-N 1 0 252.402 2.413 10 0 CEAERO CC(C)N(C[C@@H](O)c1ccc(C[NH3+])cc1)CC(F)(F)F ZINC000042741275 174862654 /nfs/dbraw/zinc/86/26/54/174862654.db2.gz QBJHAYZVESXTMQ-CYBMUJFWSA-N 1 0 290.329 2.451 10 0 CEAERO OCC1CC([NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC000657809496 415088389 /nfs/dbraw/zinc/08/83/89/415088389.db2.gz YXZOVUSOCWZQGW-UHFFFAOYSA-N 1 0 275.270 2.446 10 0 CEAERO Cc1ncc(C[NH2+]C2CC(CO)C2)n1-c1ccccc1 ZINC000657812072 415089549 /nfs/dbraw/zinc/08/95/49/415089549.db2.gz FNUSUTKPTBMGMP-UHFFFAOYSA-N 1 0 271.364 2.041 10 0 CEAERO Cc1ccc([C@H](C[NH3+])Oc2ccc(C(N)=O)cc2)cc1 ZINC000042907127 174908544 /nfs/dbraw/zinc/90/85/44/174908544.db2.gz GVHVFCJBXAKDFJ-HNNXBMFYSA-N 1 0 270.332 2.173 10 0 CEAERO [NH3+]C[C@H](c1ccc(F)cc1)n1cc(Br)cn1 ZINC000042915951 174915337 /nfs/dbraw/zinc/91/53/37/174915337.db2.gz HRZXLMBZQWPISW-LLVKDONJSA-N 1 0 284.132 2.333 10 0 CEAERO COc1ccc([C@H]([C@@H](C)[NH3+])N2CCOCC2(C)C)cc1 ZINC000042961540 174926523 /nfs/dbraw/zinc/92/65/23/174926523.db2.gz MDKUEHPOZVRHPL-DOMZBBRYSA-N 1 0 278.396 2.194 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1nncn1C)c1ccc(OC)cc1 ZINC000042964633 174928337 /nfs/dbraw/zinc/92/83/37/174928337.db2.gz GLLMFXOMMHRPLN-STQMWFEESA-N 1 0 292.408 2.394 10 0 CEAERO CCOCCO[C@@H](c1cccc(OC)c1)[C@H](C)[NH3+] ZINC000043029855 174948193 /nfs/dbraw/zinc/94/81/93/174948193.db2.gz OYWLZBINBZPISE-SMDDNHRTSA-N 1 0 253.342 2.137 10 0 CEAERO CCc1nccn1[C@@H](c1ccccc1OC)[C@H](C)[NH3+] ZINC000043098878 174967081 /nfs/dbraw/zinc/96/70/81/174967081.db2.gz OLFZJGWNVOIPRL-XHDPSFHLSA-N 1 0 259.353 2.391 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccsc1)N1CCOC(C)(C)C1 ZINC000043118277 174976083 /nfs/dbraw/zinc/97/60/83/174976083.db2.gz RUGVOJKUGLVPTN-ZYHUDNBSSA-N 1 0 254.399 2.247 10 0 CEAERO Cn1cc([C@@H](C[NH3+])Sc2ccc(F)cc2F)cn1 ZINC000043238087 174988080 /nfs/dbraw/zinc/98/80/80/174988080.db2.gz GAJVGYCBXQKDSM-GFCCVEGCSA-N 1 0 269.320 2.490 10 0 CEAERO CC[NH2+][C@H](c1ccc(F)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000043300810 175001740 /nfs/dbraw/zinc/00/17/40/175001740.db2.gz BAADVFPLMYDXKI-RNCFNFMXSA-N 1 0 289.347 2.050 10 0 CEAERO CCC[NH2+][C@@H](c1ccccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000043301443 175002034 /nfs/dbraw/zinc/00/20/34/175002034.db2.gz JHNSXMXQTRABMJ-UKRRQHHQSA-N 1 0 281.421 2.470 10 0 CEAERO CC[NH2+][C@@H](c1ccc(C)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043301040 175002142 /nfs/dbraw/zinc/00/21/42/175002142.db2.gz LLBKZBYUAXVOAB-CABCVRRESA-N 1 0 281.421 2.389 10 0 CEAERO c1cnn(Cc2ccccc2N[C@@H]2CCC[NH2+]C2)c1 ZINC000043326301 175007791 /nfs/dbraw/zinc/00/77/91/175007791.db2.gz PBCWYLGCDMKXCW-CQSZACIVSA-N 1 0 256.353 2.095 10 0 CEAERO c1cnn(Cc2cccc(N[C@@H]3CCC[NH2+]C3)c2)c1 ZINC000043326807 175007960 /nfs/dbraw/zinc/00/79/60/175007960.db2.gz XFEAQYKYLRYCHB-OAHLLOKOSA-N 1 0 256.353 2.095 10 0 CEAERO CN(C)C(=O)c1ccc(Cl)c(N[C@H]2CCC[NH2+]C2)c1 ZINC000043326806 175008367 /nfs/dbraw/zinc/00/83/67/175008367.db2.gz XSCQAUYMCJCQQH-NSHDSACASA-N 1 0 281.787 2.206 10 0 CEAERO C[C@@H]([NH3+])[C@H](Oc1ccc2c(c1)OCO2)c1ccco1 ZINC000043337396 175012746 /nfs/dbraw/zinc/01/27/46/175012746.db2.gz BIAKIBKSKBWCEB-OTYXRUKQSA-N 1 0 261.277 2.476 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccccn1)N(C)CCc1ccccn1 ZINC000043338987 175012973 /nfs/dbraw/zinc/01/29/73/175012973.db2.gz GVTKYZQAQCZRNH-DOTOQJQBSA-N 1 0 284.407 2.430 10 0 CEAERO CC[C@@H]([NH3+])[C@H](SCCC(=O)OC)c1ccco1 ZINC000043338526 175013048 /nfs/dbraw/zinc/01/30/48/175013048.db2.gz YJRUAIBLVATVPJ-SKDRFNHKSA-N 1 0 257.355 2.354 10 0 CEAERO [NH3+]C[C@@H](Oc1ccc(F)cc1F)c1cccnc1 ZINC000043349192 175019117 /nfs/dbraw/zinc/01/91/17/175019117.db2.gz GSNDEUOFXCTVID-CYBMUJFWSA-N 1 0 250.248 2.439 10 0 CEAERO C[C@H]([NH3+])[C@H](OC[C@@H]1CCCCO1)c1cccnc1 ZINC000043350298 175019151 /nfs/dbraw/zinc/01/91/51/175019151.db2.gz XISNSHXFEKNPNO-UBHSHLNASA-N 1 0 250.342 2.056 10 0 CEAERO C[C@@H]([NH3+])[C@H](OCc1ccc2c(c1)OCO2)c1cccnc1 ZINC000043350262 175019350 /nfs/dbraw/zinc/01/93/50/175019350.db2.gz BEBSFAXJODBSEA-BZNIZROVSA-N 1 0 286.331 2.415 10 0 CEAERO Cc1nc2ccccc2n1[C@H](C[NH3+])c1ccncc1 ZINC000043354918 175023174 /nfs/dbraw/zinc/02/31/74/175023174.db2.gz VSQZLDGCWMKPGS-OAHLLOKOSA-N 1 0 252.321 2.288 10 0 CEAERO Cc1ncsc1CCO[C@H](C[NH3+])c1ccncc1 ZINC000043355730 175023196 /nfs/dbraw/zinc/02/31/96/175023196.db2.gz JVCVCPMKYPSFSE-GFCCVEGCSA-N 1 0 263.366 2.106 10 0 CEAERO [NH3+]C[C@H](Oc1ccc(F)cc1F)c1ccncc1 ZINC000043355121 175023228 /nfs/dbraw/zinc/02/32/28/175023228.db2.gz HOOMGVBROHQAPX-ZDUSSCGKSA-N 1 0 250.248 2.439 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1n[nH]c(C)n1)c1ccncc1 ZINC000043363598 175024044 /nfs/dbraw/zinc/02/40/44/175024044.db2.gz YICUCBPKGJRWEJ-WDEREUQCSA-N 1 0 263.370 2.079 10 0 CEAERO Cc1cnc(S[C@@H](c2ccncc2)[C@H](C)[NH3+])nc1 ZINC000043363606 175024199 /nfs/dbraw/zinc/02/41/99/175024199.db2.gz QEBBSTPNMZFQGW-CMPLNLGQSA-N 1 0 260.366 2.361 10 0 CEAERO Cc1ccc([C@@H]([C@@H](C)[NH3+])n2cc(Br)cn2)o1 ZINC000043365538 175027247 /nfs/dbraw/zinc/02/72/47/175027247.db2.gz WEBFXWCAUOTACC-LDYMZIIASA-N 1 0 284.157 2.484 10 0 CEAERO Cc1ccc([C@H](Sc2n[nH]c(C)n2)[C@@H](C)[NH3+])o1 ZINC000043367737 175027639 /nfs/dbraw/zinc/02/76/39/175027639.db2.gz ZOOWSYPNMNAIFD-GMSGAONNSA-N 1 0 252.343 2.195 10 0 CEAERO C[C@@H]([NH3+])[C@@H](N(C)Cc1cccs1)C(F)(F)F ZINC000043377218 175029936 /nfs/dbraw/zinc/02/99/36/175029936.db2.gz LTUFNXJANNOCTG-VXNVDRBHSA-N 1 0 252.305 2.458 10 0 CEAERO C[C@@H]([NH3+])[C@H](N1CCc2ccccc2C1)C(F)(F)F ZINC000043376535 175029977 /nfs/dbraw/zinc/02/99/77/175029977.db2.gz DCOBVHRPJKEZIS-SKDRFNHKSA-N 1 0 258.287 2.323 10 0 CEAERO CO[C@H]1C[NH2+][C@H](c2nc(-c3cc(F)c(F)c(F)c3)no2)C1 ZINC000043391745 175034080 /nfs/dbraw/zinc/03/40/80/175034080.db2.gz KCFUHPXYWBJBEC-XCBNKYQSSA-N 1 0 299.252 2.203 10 0 CEAERO OC[C@H]([NH2+]C[C@H]1CCCO1)c1ccc(Cl)c(F)c1 ZINC000043391485 175034238 /nfs/dbraw/zinc/03/42/38/175034238.db2.gz WHDJQHYGRHGBTG-MFKMUULPSA-N 1 0 273.735 2.281 10 0 CEAERO C[NH2+][C@H](CN1C[C@@H](C)O[C@@H](C)C1)c1cc(C)ccc1OC ZINC000043811399 175110428 /nfs/dbraw/zinc/11/04/28/175110428.db2.gz CVWQCAUUDQBRFF-IJEWVQPXSA-N 1 0 292.423 2.373 10 0 CEAERO C[NH2+][C@@H](CN(C)C(C)C)c1ccc2c(c1)OCCO2 ZINC000043813121 175111336 /nfs/dbraw/zinc/11/13/36/175111336.db2.gz MLFRXJVPSPIKOF-ZDUSSCGKSA-N 1 0 264.369 2.059 10 0 CEAERO CCC[NH2+][C@@H]1CCC[C@H]1N(C)CCc1ccccn1 ZINC000043818912 175113824 /nfs/dbraw/zinc/11/38/24/175113824.db2.gz NLDXYYXTQNAOCL-HZPDHXFCSA-N 1 0 261.413 2.477 10 0 CEAERO CC[NH2+][C@@H](CN(C)C1CC1)c1ccc(OC)cc1OC ZINC000043823003 175114349 /nfs/dbraw/zinc/11/43/49/175114349.db2.gz WIIKULFGPQADRI-HNNXBMFYSA-N 1 0 278.396 2.449 10 0 CEAERO C[NH2+][C@@H](CN(C)C1CC1)c1ccc(OC)cc1OC ZINC000043822462 175114647 /nfs/dbraw/zinc/11/46/47/175114647.db2.gz ZERIZYPQKUVQSS-AWEZNQCLSA-N 1 0 264.369 2.059 10 0 CEAERO CCC[NH2+][C@@H]1CCC2(C[C@@H]1N(CC)C1CC1)OCCO2 ZINC000043822288 175114655 /nfs/dbraw/zinc/11/46/55/175114655.db2.gz SQKCRYPZMCHTBK-CABCVRRESA-N 1 0 282.428 2.135 10 0 CEAERO C[NH2+][C@H](CN(C)CC(C)C)c1ccc2c(c1)OCO2 ZINC000043886569 175116448 /nfs/dbraw/zinc/11/64/48/175116448.db2.gz CJRJHFKEZUREKZ-CYBMUJFWSA-N 1 0 264.369 2.264 10 0 CEAERO C[NH2+][C@H]1c2ccccc2CC[C@@H]1N1CCC(OC)CC1 ZINC000043890088 175117363 /nfs/dbraw/zinc/11/73/63/175117363.db2.gz ZCQVYWYSBCUNRK-IRXDYDNUSA-N 1 0 274.408 2.373 10 0 CEAERO C[NH2+][C@@H](CN(C)Cc1cccnc1)c1ccccc1OC ZINC000043893412 175118896 /nfs/dbraw/zinc/11/88/96/175118896.db2.gz YSQZBSCIXMBYOI-INIZCTEOSA-N 1 0 285.391 2.483 10 0 CEAERO C[NH2+][C@H](CN(C)Cc1cccnc1)c1ccccc1 ZINC000043893356 175118904 /nfs/dbraw/zinc/11/89/04/175118904.db2.gz BHLSJQJJVOSRCQ-MRXNPFEDSA-N 1 0 255.365 2.474 10 0 CEAERO C[NH2+][C@H]1CCCCCC[C@H]1N(C)C1CCOCC1 ZINC000043898148 175121295 /nfs/dbraw/zinc/12/12/95/175121295.db2.gz ZBZIASGUDIVLPC-LSDHHAIUSA-N 1 0 254.418 2.408 10 0 CEAERO C[NH2+][C@H](CN(C)C1CCOCC1)c1ccccc1OC ZINC000043898142 175121458 /nfs/dbraw/zinc/12/14/58/175121458.db2.gz ZBUPQGRAVZCQQO-OAHLLOKOSA-N 1 0 278.396 2.067 10 0 CEAERO C[NH2+][C@H]1c2ccccc2C[C@@H]1N(C)CCc1ccncc1 ZINC000043901910 175122017 /nfs/dbraw/zinc/12/20/17/175122017.db2.gz AMHGWGQYZVBJOQ-ROUUACIJSA-N 1 0 281.403 2.441 10 0 CEAERO CCOC1CCN([C@@H]2COc3ccccc3[C@H]2[NH2+]C)CC1 ZINC000043907138 175123346 /nfs/dbraw/zinc/12/33/46/175123346.db2.gz LRZJBQAOUALSAS-NVXWUHKLSA-N 1 0 290.407 2.209 10 0 CEAERO CCC[NH2+][C@H]1CCOC[C@H]1N(C)Cc1cccc(OC)c1 ZINC000043912047 175123717 /nfs/dbraw/zinc/12/37/17/175123717.db2.gz VMCHSFSCFGIDDN-DLBZAZTESA-N 1 0 292.423 2.284 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2C[C@@H]1N1CCOCC1(C)C ZINC000043917038 175125726 /nfs/dbraw/zinc/12/57/26/175125726.db2.gz NUZUNUDBYPJLLF-JKSUJKDBSA-N 1 0 274.408 2.373 10 0 CEAERO C[NH2+][C@H]1c2ccccc2CC[C@H]1N(C)C[C@@H]1CCCO1 ZINC000043965968 175127027 /nfs/dbraw/zinc/12/70/27/175127027.db2.gz MYSHKHKCDKBEQH-UAGQMJEPSA-N 1 0 274.408 2.373 10 0 CEAERO CC[NH2+][C@H]1CCCCC[C@H]1N(C)C[C@@H]1CCCO1 ZINC000043966048 175127037 /nfs/dbraw/zinc/12/70/37/175127037.db2.gz NSCVOAMHKJVSIA-SOUVJXGZSA-N 1 0 254.418 2.408 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2CC[C@H]1N(C)C[C@@H]1CCCO1 ZINC000043965966 175127357 /nfs/dbraw/zinc/12/73/57/175127357.db2.gz MYSHKHKCDKBEQH-USXIJHARSA-N 1 0 274.408 2.373 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2C[C@@H]1N(C)Cc1cnn(C)c1 ZINC000043967257 175128321 /nfs/dbraw/zinc/12/83/21/175128321.db2.gz XQAMVTPXSZKHKU-DLBZAZTESA-N 1 0 284.407 2.127 10 0 CEAERO CCC[C@H]([NH2+]C)[C@H](CC)N(C)Cc1cnn(C)c1 ZINC000043967185 175128387 /nfs/dbraw/zinc/12/83/87/175128387.db2.gz UFNRHIVNYJFYJG-KBPBESRZSA-N 1 0 252.406 2.019 10 0 CEAERO CCC[NH2+][C@H]1CCOC[C@@H]1N(CC)Cc1ccncc1 ZINC000043968956 175130187 /nfs/dbraw/zinc/13/01/87/175130187.db2.gz FMKGQZQLTUBQLK-HOTGVXAUSA-N 1 0 277.412 2.061 10 0 CEAERO C[NH2+][C@H]1c2ccccc2CC[C@H]1N(C)[C@@H](C)COC ZINC000043969137 175130755 /nfs/dbraw/zinc/13/07/55/175130755.db2.gz YEZMBWRTKPHWQV-MAZHCROVSA-N 1 0 262.397 2.229 10 0 CEAERO CC[NH2+][C@@H]1CCCCC[C@@H]1N(CCCOC)CCOC ZINC000043970973 175132060 /nfs/dbraw/zinc/13/20/60/175132060.db2.gz QTMAYHYNPZESGE-CVEARBPZSA-N 1 0 286.460 2.282 10 0 CEAERO CCCNC(=O)COc1ccc2c(c1)CCC[C@H]2[NH2+]C ZINC000044745422 175241879 /nfs/dbraw/zinc/24/18/79/175241879.db2.gz IKUMOCGNEMSAGR-OAHLLOKOSA-N 1 0 276.380 2.188 10 0 CEAERO COC(=O)CCC[NH2+][C@H]1CCCc2cc(O)ccc21 ZINC000044747311 175242968 /nfs/dbraw/zinc/24/29/68/175242968.db2.gz CEMRWOKIROSMOR-AWEZNQCLSA-N 1 0 263.337 2.312 10 0 CEAERO C[C@H](CC[NH+](C)C)NC(=O)C1(C(N)=S)CCCCCC1 ZINC000044780784 175252906 /nfs/dbraw/zinc/25/29/06/175252906.db2.gz XJFWLGVVIYBQPV-GFCCVEGCSA-N 1 0 299.484 2.070 10 0 CEAERO CCCN(C(=O)[C@@H](C[NH3+])Cc1ccccc1)C(C)C ZINC000044800480 175255420 /nfs/dbraw/zinc/25/54/20/175255420.db2.gz XOZVVKRYLQZPGE-OAHLLOKOSA-N 1 0 262.397 2.451 10 0 CEAERO CC(C)[C@H](C)N(C)C(=O)[C@@H](C[NH3+])Cc1ccccc1 ZINC000044802002 175255477 /nfs/dbraw/zinc/25/54/77/175255477.db2.gz VUFYFWTTYVLUGK-DZGCQCFKSA-N 1 0 262.397 2.307 10 0 CEAERO CC(C)C[C@@H](C)NC(=O)[C@@H](C[NH3+])Cc1ccccc1 ZINC000044800914 175255505 /nfs/dbraw/zinc/25/55/05/175255505.db2.gz RALUCLGIHUBSCN-UKRRQHHQSA-N 1 0 262.397 2.355 10 0 CEAERO C[C@H](C1CC1)N(C)C(=O)[C@@H](C[NH3+])Cc1ccccc1 ZINC000044801958 175255611 /nfs/dbraw/zinc/25/56/11/175255611.db2.gz LNFARKGXALDPKJ-IUODEOHRSA-N 1 0 260.381 2.061 10 0 CEAERO CCC[C@H](C)N(C)C(=O)[C@@H](C[NH3+])Cc1ccccc1 ZINC000044802068 175255637 /nfs/dbraw/zinc/25/56/37/175255637.db2.gz NNEZEQLWFWSNOP-DZGCQCFKSA-N 1 0 262.397 2.451 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)N1CCO[C@H]2CCC[C@@H]21 ZINC000044808282 175257146 /nfs/dbraw/zinc/25/71/46/175257146.db2.gz BZIOUSVEEYZNTB-KBPBESRZSA-N 1 0 282.428 2.312 10 0 CEAERO C[C@@H](C[NH2+][C@@H]1CCCCC[C@@H]1O)N1CCCCC1 ZINC000044992699 175286673 /nfs/dbraw/zinc/28/66/73/175286673.db2.gz YZCFOFUFYYCLQL-ZNMIVQPWSA-N 1 0 254.418 2.144 10 0 CEAERO C[C@@H](CNCc1nccn1C(F)F)[NH+]1CCCCC1 ZINC000044993378 175286981 /nfs/dbraw/zinc/28/69/81/175286981.db2.gz XUGCJACNSSFGLB-NSHDSACASA-N 1 0 272.343 2.242 10 0 CEAERO COCC[C@](C)(C[NH3+])N(Cc1ccsc1)C1CC1 ZINC000045043483 175295719 /nfs/dbraw/zinc/29/57/19/175295719.db2.gz FOSKWFJWOYKQTE-CQSZACIVSA-N 1 0 268.426 2.466 10 0 CEAERO CC(C)CCCOC[C@@H](O)C[NH2+]CCOCCC(C)C ZINC000045106713 175308253 /nfs/dbraw/zinc/30/82/53/175308253.db2.gz RQAJYOGFLDWJKU-INIZCTEOSA-N 1 0 289.460 2.452 10 0 CEAERO CCCCCNC(=O)[C@@H](C)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000045135066 175312601 /nfs/dbraw/zinc/31/26/01/175312601.db2.gz WLKYMAHIXZXSOA-HUUCEWRRSA-N 1 0 283.460 2.001 10 0 CEAERO CC(C)C[C@@H]1CSC(NCCc2nccn2C)=[NH+]1 ZINC000045136085 175313248 /nfs/dbraw/zinc/31/32/48/175313248.db2.gz YICNPLVWGJWKPC-LLVKDONJSA-N 1 0 266.414 2.070 10 0 CEAERO CCCC[N@H+](CC)C[C@](NCC)(C(N)=O)c1ccccc1 ZINC000045223226 175331445 /nfs/dbraw/zinc/33/14/45/175331445.db2.gz QVAZSHWLXJEUFZ-QGZVFWFLSA-N 1 0 291.439 2.099 10 0 CEAERO CCCN[C@](C[N@H+](C)C(C)C)(C(=O)OC)c1ccccc1 ZINC000045229379 175334067 /nfs/dbraw/zinc/33/40/67/175334067.db2.gz CCNXUCDXUWVLKC-KRWDZBQOSA-N 1 0 292.423 2.395 10 0 CEAERO CCN[C@@](C[N@H+](C)C(C)C)(C(=O)OC)c1ccccc1 ZINC000045229365 175334381 /nfs/dbraw/zinc/33/43/81/175334381.db2.gz MGJBFOOPQUVYPU-MRXNPFEDSA-N 1 0 278.396 2.005 10 0 CEAERO CCC[NH2+][C@](C)(CC[N@H+](C)C1CCCCC1)C(=O)[O-] ZINC000045231226 175335112 /nfs/dbraw/zinc/33/51/12/175335112.db2.gz XBOFGZGFFJVNSY-OAHLLOKOSA-N 1 0 270.417 2.484 10 0 CEAERO CCCN[C@](C)(CC[N@H+](C)[C@@H](C)CC)C(=O)OC ZINC000045263977 175337551 /nfs/dbraw/zinc/33/75/51/175337551.db2.gz OOYYCZGLMHGAGO-GXTWGEPZSA-N 1 0 258.406 2.038 10 0 CEAERO COC(=O)[C@@](C[N@H+](C)C1CC1)(NC(C)C)c1ccccc1 ZINC000045265037 175338333 /nfs/dbraw/zinc/33/83/33/175338333.db2.gz KFJXUMQWWJTMHT-KRWDZBQOSA-N 1 0 290.407 2.147 10 0 CEAERO CCCN[C@@](C)(C[N@H+](CCC)C(C)C)C(=O)OC ZINC000045266801 175338904 /nfs/dbraw/zinc/33/89/04/175338904.db2.gz YTXHPXDNUAWWFI-AWEZNQCLSA-N 1 0 258.406 2.038 10 0 CEAERO CCN[C@@](C)(C[N@@H+]1CCCC[C@@H]1CC)C(=O)OCC ZINC000045265840 175339254 /nfs/dbraw/zinc/33/92/54/175339254.db2.gz TUARSLOUMDSFEZ-ZFWWWQNUSA-N 1 0 270.417 2.182 10 0 CEAERO CCC[N@H+](C[C@@](N)(C(=O)OCC)c1ccccc1)C1CC1 ZINC000045267781 175340132 /nfs/dbraw/zinc/34/01/32/175340132.db2.gz QVHUIJIJYUXWEX-KRWDZBQOSA-N 1 0 290.407 2.278 10 0 CEAERO CCC[N@H+](CC)CC[C@@](C)(NC1CC1)C(=O)OCC ZINC000045267736 175340306 /nfs/dbraw/zinc/34/03/06/175340306.db2.gz UFRBNLFCRSVPID-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CCOC(=O)[C@](C)(CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)NC ZINC000045272149 175343151 /nfs/dbraw/zinc/34/31/51/175343151.db2.gz CIZZABMVCWQGPC-UXLLHSPISA-N 1 0 296.455 2.430 10 0 CEAERO CCOC(=O)[C@](C)(C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)NC ZINC000045272071 175343386 /nfs/dbraw/zinc/34/33/86/175343386.db2.gz ZXVJVGFGOROCEY-LZWOXQAQSA-N 1 0 282.428 2.040 10 0 CEAERO CCCC[N@H+](C[C@](C)(NCC)C(=O)OCC)C1CC1 ZINC000045276243 175346374 /nfs/dbraw/zinc/34/63/74/175346374.db2.gz BQKCATGTHPWTLP-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CCC(CC)C[N@H+](CC)CC[C@@](C)(NC)C(=O)OC ZINC000045277838 175347964 /nfs/dbraw/zinc/34/79/64/175347964.db2.gz UVJMDPNBZZQGGA-OAHLLOKOSA-N 1 0 272.433 2.286 10 0 CEAERO CCCCC[N@H+](C[C@@](N)(C(N)=O)c1ccccc1)C(C)C ZINC000045278526 175347966 /nfs/dbraw/zinc/34/79/66/175347966.db2.gz KKRAAGIDIKJMSJ-KRWDZBQOSA-N 1 0 291.439 2.227 10 0 CEAERO CCCCC[N@H+](C[C@](C)(NCC)C(=O)OC)C(C)C ZINC000045278562 175348675 /nfs/dbraw/zinc/34/86/75/175348675.db2.gz QCKVBSRJDUIPDY-HNNXBMFYSA-N 1 0 272.433 2.428 10 0 CEAERO CCOC(=O)[C@](C)(N)CC[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000045279092 175349315 /nfs/dbraw/zinc/34/93/15/175349315.db2.gz QCORZRHLRWRFAO-GZBFAFLISA-N 1 0 270.417 2.168 10 0 CEAERO CCCC[N@H+](CC[C@](C)(NC)C(=O)OC)[C@@H](C)CC ZINC000045282633 175353059 /nfs/dbraw/zinc/35/30/59/175353059.db2.gz GVQMMYQEAQUZBI-ZFWWWQNUSA-N 1 0 272.433 2.428 10 0 CEAERO CCCC[N@H+](CC)C[C@H](NC(C)C)C(=O)OCC ZINC000045370329 175363473 /nfs/dbraw/zinc/36/34/73/175363473.db2.gz HYXSCESUCLEEND-ZDUSSCGKSA-N 1 0 258.406 2.038 10 0 CEAERO COC(=O)[C@@](C)(N)CCCC[NH+]1CCCCCCC1 ZINC000045371391 175364392 /nfs/dbraw/zinc/36/43/92/175364392.db2.gz REBUQAYKDOWDJJ-HNNXBMFYSA-N 1 0 270.417 2.313 10 0 CEAERO CCCN[C@H](C[NH+](CCC)CCC)C(=O)OCC ZINC000045378452 175367378 /nfs/dbraw/zinc/36/73/78/175367378.db2.gz FPKDTWXIZUNPHC-CYBMUJFWSA-N 1 0 258.406 2.040 10 0 CEAERO CCC[NH2+][C@@](C)(CCCC[N@H+](C)C(C)C)C(=O)[O-] ZINC000045377937 175367525 /nfs/dbraw/zinc/36/75/25/175367525.db2.gz VWIDLFLTERRIOS-AWEZNQCLSA-N 1 0 258.406 2.340 10 0 CEAERO CCC[NH+](CCC)CCC[C@@](C)([NH2+]CC)C(=O)[O-] ZINC000045378569 175367876 /nfs/dbraw/zinc/36/78/76/175367876.db2.gz FHRVWHFTODRYSU-CQSZACIVSA-N 1 0 258.406 2.341 10 0 CEAERO CC[NH2+][C@@](C)(CCC[N@H+](C)C1CCCCC1)C(=O)[O-] ZINC000045379106 175368311 /nfs/dbraw/zinc/36/83/11/175368311.db2.gz FZGRTKUWWTVLFM-HNNXBMFYSA-N 1 0 270.417 2.484 10 0 CEAERO CC(C)C[N@H+](C)CCCC[C@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000045380818 175370426 /nfs/dbraw/zinc/37/04/26/175370426.db2.gz KFVOLZZKQCXOSQ-HNNXBMFYSA-N 1 0 270.417 2.340 10 0 CEAERO CCC[N@H+](CCCC[C@](C)(NC)C(=O)OC)C1CC1 ZINC000045387417 175372690 /nfs/dbraw/zinc/37/26/90/175372690.db2.gz OQPZPAIEBULYKS-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CCC[NH2+][C@@](C)(CCC[N@H+](CC)C1CC1)C(=O)[O-] ZINC000045386472 175373094 /nfs/dbraw/zinc/37/30/94/175373094.db2.gz FEBBFKUHEQLEPU-AWEZNQCLSA-N 1 0 256.390 2.094 10 0 CEAERO CCC[N@H+](CCCC[C@@](C)([NH2+]CC)C(=O)[O-])C1CC1 ZINC000045387365 175373127 /nfs/dbraw/zinc/37/31/27/175373127.db2.gz OXACCKGGWFOCRY-OAHLLOKOSA-N 1 0 270.417 2.484 10 0 CEAERO CC[N@H+](CCCC[C@](C)(NC1CC1)C(=O)OC)C1CC1 ZINC000045386433 175373140 /nfs/dbraw/zinc/37/31/40/175373140.db2.gz VAGMHVNWZRUYTA-INIZCTEOSA-N 1 0 282.428 2.325 10 0 CEAERO CC(C)[NH2+][C@@](C)(CCC[N@H+](C)[C@@H](C)C1CC1)C(=O)[O-] ZINC000045392949 175375300 /nfs/dbraw/zinc/37/53/00/175375300.db2.gz QPZFPQOLMGWFIG-WFASDCNBSA-N 1 0 270.417 2.338 10 0 CEAERO CCOC(=O)[C@H](C[N@@H+]1CCC[C@@H](CC)C1)NC(C)C ZINC000045393257 175376425 /nfs/dbraw/zinc/37/64/25/175376425.db2.gz VXUIAEWSWHGAGP-KGLIPLIRSA-N 1 0 270.417 2.038 10 0 CEAERO CCCN[C@@](C)(CCC[N@H+](C)CC1CC1)C(=O)OCC ZINC000045419969 175377642 /nfs/dbraw/zinc/37/76/42/175377642.db2.gz WYWYYIHSYAJDQB-INIZCTEOSA-N 1 0 284.444 2.430 10 0 CEAERO CCN[C@@](C)(CCC[N@H+](C)CC1CC1)C(=O)OCC ZINC000045419963 175377823 /nfs/dbraw/zinc/37/78/23/175377823.db2.gz QKXIADJXMRIGSD-HNNXBMFYSA-N 1 0 270.417 2.040 10 0 CEAERO CCN(CCC[C@](C)([NH3+])C(=O)OC)c1cccc(F)c1 ZINC000045421325 175379846 /nfs/dbraw/zinc/37/98/46/175379846.db2.gz GRZJREXHJRLDDV-HNNXBMFYSA-N 1 0 282.359 2.323 10 0 CEAERO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1ccccc1Cl ZINC000658243735 415278298 /nfs/dbraw/zinc/27/82/98/415278298.db2.gz GGGVJTAJFQBUDN-GHMZBOCLSA-N 1 0 266.772 2.469 10 0 CEAERO CN1C[C@H](C[NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1=O ZINC000658243158 415278419 /nfs/dbraw/zinc/27/84/19/415278419.db2.gz BPFBHZWBCCCJEM-IINYFYTJSA-N 1 0 278.783 2.395 10 0 CEAERO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000658245146 415281582 /nfs/dbraw/zinc/28/15/82/415281582.db2.gz WGCZOHIQMFXFLE-RDBSUJKOSA-N 1 0 252.402 2.269 10 0 CEAERO CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000658245143 415281657 /nfs/dbraw/zinc/28/16/57/415281657.db2.gz WGCZOHIQMFXFLE-MELADBBJSA-N 1 0 252.402 2.269 10 0 CEAERO CC(C)(C)c1cccc(C(=O)NC[C@@H]2CC[NH2+]C2)c1 ZINC000655452578 415281781 /nfs/dbraw/zinc/28/17/81/415281781.db2.gz LNCFOGVSTMGIJW-GFCCVEGCSA-N 1 0 260.381 2.323 10 0 CEAERO C[C@@]1(c2ccc(Br)s2)OC[C@H](C[NH3+])O1 ZINC000049873181 175502814 /nfs/dbraw/zinc/50/28/14/175502814.db2.gz MIDALHKKVSXDCE-IMTBSYHQSA-N 1 0 278.171 2.057 10 0 CEAERO CCC[C@]1(C(=O)N2CCc3ccccc3C2)CC[NH2+]C1 ZINC000062888927 175676695 /nfs/dbraw/zinc/67/66/95/175676695.db2.gz FEULYULMVSYKGQ-KRWDZBQOSA-N 1 0 272.392 2.351 10 0 CEAERO CC[C@@H]1CC[C@@H](C)N(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000659372384 415546849 /nfs/dbraw/zinc/54/68/49/415546849.db2.gz AUKQCJPRRRQFDT-DDHJBXDOSA-N 1 0 292.345 2.421 10 0 CEAERO C[C@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(=O)c1coc2ccccc12 ZINC000070392811 175907775 /nfs/dbraw/zinc/90/77/75/175907775.db2.gz KRFBYZUUDQFVKV-WDMOLILDSA-N 1 0 270.332 2.255 10 0 CEAERO CCOc1ccc([C@@H](O)Cc2c[nH+]ccc2N)cc1 ZINC000070400184 175909999 /nfs/dbraw/zinc/90/99/99/175909999.db2.gz KZYYNEBMUFYWJH-HNNXBMFYSA-N 1 0 258.321 2.339 10 0 CEAERO CCC[NH2+][C@H](Cc1cccnc1N)C[C@H]1CCCO1 ZINC000070407160 175913718 /nfs/dbraw/zinc/91/37/18/175913718.db2.gz ZWUQIXFYRGNFDE-ZIAGYGMSSA-N 1 0 263.385 2.144 10 0 CEAERO CCCc1nccn1[C@H]1COc2ccccc2[C@@H]1[NH3+] ZINC000070423791 175920865 /nfs/dbraw/zinc/92/08/65/175920865.db2.gz XIJKSDGQLDMZHJ-WFASDCNBSA-N 1 0 257.337 2.469 10 0 CEAERO CC(C)COC(=O)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000070443036 175935310 /nfs/dbraw/zinc/93/53/10/175935310.db2.gz VJSIQLDRRHKULZ-UHFFFAOYSA-N 1 0 266.345 2.012 10 0 CEAERO C[C@H]([NH2+]CCn1cc(C(F)(F)F)cn1)[C@H]1CCCO1 ZINC000070467995 175947729 /nfs/dbraw/zinc/94/77/29/175947729.db2.gz PCRSKGZZYQEUOM-GXSJLCMTSA-N 1 0 277.290 2.059 10 0 CEAERO CC[C@](C[NH3+])(CCOCCOC)c1ccccc1 ZINC000070483217 175953423 /nfs/dbraw/zinc/95/34/23/175953423.db2.gz QZZHCXQSFMEXKK-OAHLLOKOSA-N 1 0 251.370 2.346 10 0 CEAERO COCC[NH2+]C[C@@]1(Cc2ccc3c(c2)CCC3)CCOC1 ZINC000070503748 175958465 /nfs/dbraw/zinc/95/84/65/175958465.db2.gz YKKAOSITVOFJSU-SFHVURJKSA-N 1 0 289.419 2.361 10 0 CEAERO COc1cccc(OC[C@@](CO)([NH2+]C(C)C)C2CC2)c1 ZINC000070518508 175965996 /nfs/dbraw/zinc/96/59/96/175965996.db2.gz PQIVNDZRFGUTKO-MRXNPFEDSA-N 1 0 279.380 2.213 10 0 CEAERO CC(C)[NH2+][C@@H](CO)CCSc1ncnc2ccccc21 ZINC000070521048 175966507 /nfs/dbraw/zinc/96/65/07/175966507.db2.gz UZYIQKJWKOUXJU-GFCCVEGCSA-N 1 0 291.420 2.471 10 0 CEAERO CCC[NH2+]C[C@H](C)CSc1nnc(N(C)C)s1 ZINC000070526004 175970895 /nfs/dbraw/zinc/97/08/95/175970895.db2.gz JLTZFEAPSGWDTG-VIFPVBQESA-N 1 0 274.459 2.332 10 0 CEAERO CC[NH2+]C[C@H](C)CN1C(=O)C(=O)c2cc(C)cc(C)c21 ZINC000070527397 175971319 /nfs/dbraw/zinc/97/13/19/175971319.db2.gz CWXKHFHEIVNKGR-NSHDSACASA-N 1 0 274.364 2.078 10 0 CEAERO CCC[NH2+]Cc1cc2c(cc1O[C@H]1CCOC1)OCO2 ZINC000070543079 175978075 /nfs/dbraw/zinc/97/80/75/175978075.db2.gz NMTBJJNDRJIHBG-LBPRGKRZSA-N 1 0 279.336 2.083 10 0 CEAERO C[NH2+][C@@H](Cc1ccccc1)c1ccc2c(c1)C(=O)NCC2 ZINC000070544764 175979399 /nfs/dbraw/zinc/97/93/99/175979399.db2.gz FWIHITBPQAYCBS-KRWDZBQOSA-N 1 0 280.371 2.476 10 0 CEAERO [NH3+]CCc1ccccc1C(=O)NCc1ccc(F)c(F)c1 ZINC000070552775 175981839 /nfs/dbraw/zinc/98/18/39/175981839.db2.gz LCRIFBNOPNGGCZ-UHFFFAOYSA-N 1 0 290.313 2.396 10 0 CEAERO [NH3+]CCc1ccccc1C(=O)NC[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000070553121 175982271 /nfs/dbraw/zinc/98/22/71/175982271.db2.gz AEROMZHTRYNCBF-CFVMTHIKSA-N 1 0 272.392 2.354 10 0 CEAERO Cc1csc(Cc2noc([C@H]3CCC[C@H]([NH3+])C3)n2)n1 ZINC000070557793 175985671 /nfs/dbraw/zinc/98/56/71/175985671.db2.gz CGOVNJGGOKQYQZ-UWVGGRQHSA-N 1 0 278.381 2.410 10 0 CEAERO CC[NH2+]Cc1csc(N(C)[C@@H]2CCSC2)n1 ZINC000070681677 176001531 /nfs/dbraw/zinc/00/15/31/176001531.db2.gz SZZTZNSYZRRWPG-SNVBAGLBSA-N 1 0 257.428 2.194 10 0 CEAERO CCCN(CC(F)(F)F)c1nc(C[NH3+])cs1 ZINC000070682268 176001601 /nfs/dbraw/zinc/00/16/01/176001601.db2.gz UZPLKYOTEACYNB-UHFFFAOYSA-N 1 0 253.293 2.381 10 0 CEAERO C[NH2+]Cc1ccnn1Cc1sccc1Br ZINC000070708839 176002729 /nfs/dbraw/zinc/00/27/29/176002729.db2.gz PAZATDIANNOJLK-UHFFFAOYSA-N 1 0 286.198 2.475 10 0 CEAERO [NH3+]C[C@@H](CSc1nncs1)c1ccccc1 ZINC000070836485 176008533 /nfs/dbraw/zinc/00/85/33/176008533.db2.gz DRJCQSZEIVQUBU-JTQLQIEISA-N 1 0 251.380 2.373 10 0 CEAERO C[C@@H](NCc1cnccc1C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000665299435 415688374 /nfs/dbraw/zinc/68/83/74/415688374.db2.gz MYKOSKNMLPKCNO-ZJUUUORDSA-N 1 0 273.302 2.188 10 0 CEAERO CCc1ccc([C@H]2[C@H]([NH3+])CCC(=O)N2C2CC2)s1 ZINC000070987203 176018511 /nfs/dbraw/zinc/01/85/11/176018511.db2.gz JNHBMTKHOWVMHI-BXUZGUMPSA-N 1 0 264.394 2.464 10 0 CEAERO [NH3+][C@H]1CCC(=O)N(C2CC2)[C@H]1c1cccc(F)c1F ZINC000070987549 176018696 /nfs/dbraw/zinc/01/86/96/176018696.db2.gz BQYQVDHAGYKEEA-FZMZJTMJSA-N 1 0 266.291 2.118 10 0 CEAERO CCC[NH2+][C@@H]1CCCN(Cc2ccsc2)C1=O ZINC000071031389 176022550 /nfs/dbraw/zinc/02/25/50/176022550.db2.gz CRWFMJLHNOUBOZ-GFCCVEGCSA-N 1 0 252.383 2.239 10 0 CEAERO CCC[NH2+][C@H]1CCCN(Cc2ccsc2)C1=O ZINC000071031390 176022592 /nfs/dbraw/zinc/02/25/92/176022592.db2.gz CRWFMJLHNOUBOZ-LBPRGKRZSA-N 1 0 252.383 2.239 10 0 CEAERO CC[NH2+][C@H]1CCCN(CC2CCC(C)CC2)C1=O ZINC000071031316 176022733 /nfs/dbraw/zinc/02/27/33/176022733.db2.gz VSABZBNKDYOFHV-RUXDESIVSA-N 1 0 252.402 2.413 10 0 CEAERO CCC[NH2+][C@H]1CCCN(C[C@@H]2CC=CCC2)C1=O ZINC000071034549 176024754 /nfs/dbraw/zinc/02/47/54/176024754.db2.gz OYPAKYLJCUTUBI-KGLIPLIRSA-N 1 0 250.386 2.333 10 0 CEAERO C[NH2+][C@H]1CCCN([C@H](C)c2cccc(F)c2)C1=O ZINC000071034929 176024872 /nfs/dbraw/zinc/02/48/72/176024872.db2.gz FVXITIWCIKPHDJ-MFKMUULPSA-N 1 0 250.317 2.097 10 0 CEAERO Cc1nc(C)c([C@@H](C)N2CC[C@H]([NH2+]C(C)C)C2=O)s1 ZINC000071036197 176025256 /nfs/dbraw/zinc/02/52/56/176025256.db2.gz ZADBHTKPUTYPTA-PWSUYJOCSA-N 1 0 281.425 2.420 10 0 CEAERO Cc1nc(C)c([C@H](C)N2CC[C@@H]([NH2+]C(C)C)C2=O)s1 ZINC000071036202 176025664 /nfs/dbraw/zinc/02/56/64/176025664.db2.gz ZADBHTKPUTYPTA-CMPLNLGQSA-N 1 0 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ZINC000071184737 176059311 /nfs/dbraw/zinc/05/93/11/176059311.db2.gz LWPMNOALTKRKLU-GJZGRUSLSA-N 1 0 290.407 2.193 10 0 CEAERO CN(C[C@H]1CC[N@H+](C)C1)c1ccc(F)cc1C=O ZINC000071189475 176064137 /nfs/dbraw/zinc/06/41/37/176064137.db2.gz AYTPIPPMQRRSDW-NSHDSACASA-N 1 0 250.317 2.026 10 0 CEAERO CC(=O)c1c(F)cccc1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189374 176065049 /nfs/dbraw/zinc/06/50/49/176065049.db2.gz XYSNJHQDRPGDIR-GFCCVEGCSA-N 1 0 264.344 2.416 10 0 CEAERO CNc1ccc(Cl)c(CN(C)C[C@@H]2CC[N@H+](C)C2)n1 ZINC000071191134 176069203 /nfs/dbraw/zinc/06/92/03/176069203.db2.gz KDNALLNEABNIBT-LLVKDONJSA-N 1 0 282.819 2.160 10 0 CEAERO COc1ccc(CCN2CCC[C@@H]([NH2+]C3CC3)C2)cc1 ZINC000071197908 176076886 /nfs/dbraw/zinc/07/68/86/176076886.db2.gz CRMBDXUPUWYMMM-MRXNPFEDSA-N 1 0 274.408 2.454 10 0 CEAERO COc1ccc(CN2CCC[C@H]([NH2+]C3CC3)C2)c(OC)c1 ZINC000071199843 176077054 /nfs/dbraw/zinc/07/70/54/176077054.db2.gz SWIVWBLLMWAMHH-HNNXBMFYSA-N 1 0 290.407 2.420 10 0 CEAERO CC(C)[NH2+][C@H]1CCCN(C[C@@H]2Cc3ccccc3O2)C1 ZINC000071199359 176077099 /nfs/dbraw/zinc/07/70/99/176077099.db2.gz GCDZNPCVJMYPOG-HOTGVXAUSA-N 1 0 274.408 2.453 10 0 CEAERO COc1ccc(CCN2CC[C@@H]([NH2+]C(C)C)C2)cc1OC ZINC000071198240 176077197 /nfs/dbraw/zinc/07/71/97/176077197.db2.gz QERBONCCFDRGTB-OAHLLOKOSA-N 1 0 292.423 2.319 10 0 CEAERO CCOC(=O)c1ncsc1NC[C@H]1CCCC[N@@H+]1C ZINC000071202079 176078352 /nfs/dbraw/zinc/07/83/52/176078352.db2.gz XEDFSXJNWQUMKI-SNVBAGLBSA-N 1 0 283.397 2.216 10 0 CEAERO C[NH2+][C@H](C)c1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2C)cc1 ZINC000071209868 176082117 /nfs/dbraw/zinc/08/21/17/176082117.db2.gz VUASELDVOHYRLJ-YWPYICTPSA-N 1 0 296.436 2.434 10 0 CEAERO C[C@H](Cn1ccnc1)N1Cc2ccc(F)cc2C1=[NH2+] ZINC000071268929 176102910 /nfs/dbraw/zinc/10/29/10/176102910.db2.gz QPFYONOXVLEXJW-SNVBAGLBSA-N 1 0 258.300 2.252 10 0 CEAERO CC[C@@H](C)N1C(=O)C[C@@H]([NH2+][C@@H](C)Cc2cccs2)C1=O ZINC000071269475 176103276 /nfs/dbraw/zinc/10/32/76/176103276.db2.gz OSUIXTGYISXONT-DMDPSCGWSA-N 1 0 294.420 2.195 10 0 CEAERO CCOC(=O)CCCCC[N@@H+]1CCC[C@H](C(C)=O)C1 ZINC000071297662 176112576 /nfs/dbraw/zinc/11/25/76/176112576.db2.gz JKGDUWGJAIFKTM-AWEZNQCLSA-N 1 0 269.385 2.411 10 0 CEAERO COc1ccc(OC)c([C@@H]2C[NH2+]C[C@@H](C3CC3)O2)c1 ZINC000071308635 176116169 /nfs/dbraw/zinc/11/61/69/176116169.db2.gz LJALLVFLBRDTAS-GJZGRUSLSA-N 1 0 263.337 2.143 10 0 CEAERO C[C@H](CCc1ccc2c(c1)OCO2)N(C)[C@@H]1CC[NH2+]C1 ZINC000071309223 176116869 /nfs/dbraw/zinc/11/68/69/176116869.db2.gz JYIGXAYJLHRZGB-TZMCWYRMSA-N 1 0 276.380 2.030 10 0 CEAERO CCN(C(=O)c1nccc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000071312419 176119402 /nfs/dbraw/zinc/11/94/02/176119402.db2.gz BMNXIPPWLDVBQL-CYBMUJFWSA-N 1 0 269.348 2.059 10 0 CEAERO CCN(Cc1ccc2ncccc2c1)[C@H]1CC[NH2+]C1 ZINC000071314007 176120489 /nfs/dbraw/zinc/12/04/89/176120489.db2.gz JTRMJTZNSUEVSR-HNNXBMFYSA-N 1 0 255.365 2.419 10 0 CEAERO CCCN(c1cccc(Cl)c1C(N)=O)[C@@H]1CC[NH2+]C1 ZINC000071332575 176125707 /nfs/dbraw/zinc/12/57/07/176125707.db2.gz IBXBMOWEDBJDEL-SNVBAGLBSA-N 1 0 281.787 2.017 10 0 CEAERO C[C@H]1CCC[NH2+][C@H]1CNC(=O)c1ccccc1OC(F)F ZINC000071338639 176129077 /nfs/dbraw/zinc/12/90/77/176129077.db2.gz OTSPSOGNQWNGBM-JQWIXIFHSA-N 1 0 298.333 2.406 10 0 CEAERO C[C@H]1CCC[NH2+][C@H]1CNC(=O)c1cccc(F)c1F ZINC000071338799 176129147 /nfs/dbraw/zinc/12/91/47/176129147.db2.gz QUWAZBRDNFPLGF-CABZTGNLSA-N 1 0 268.307 2.083 10 0 CEAERO CC(C)(C)[C@@H]1CNC(C)(C)C[N@@H+]1CCCn1ccnc1 ZINC000071342846 176130249 /nfs/dbraw/zinc/13/02/49/176130249.db2.gz PUHIHTYRVKBYNO-AWEZNQCLSA-N 1 0 278.444 2.372 10 0 CEAERO Cc1nccn1CCN1CC(C)(C)[NH2+]C[C@H]1C(C)(C)C ZINC000071342879 176130582 /nfs/dbraw/zinc/13/05/82/176130582.db2.gz QDRFFMGCURGJTJ-AWEZNQCLSA-N 1 0 278.444 2.290 10 0 CEAERO Cc1cccnc1C[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC000071344179 176131168 /nfs/dbraw/zinc/13/11/68/176131168.db2.gz RJGGIXSQEYJESR-CQSZACIVSA-N 1 0 278.302 2.491 10 0 CEAERO CC[C@H]1C[N@H+](CCCn2ccnc2)[C@@](C)(C2CC2)CN1 ZINC000071345566 176131335 /nfs/dbraw/zinc/13/13/35/176131335.db2.gz WCKWKJOQCRBBNH-JKSUJKDBSA-N 1 0 276.428 2.126 10 0 CEAERO CC[C@H]1CN(CCn2cccn2)C2(CCCCC2)C[NH2+]1 ZINC000071345439 176131411 /nfs/dbraw/zinc/13/14/11/176131411.db2.gz ZECUZJHDSHCKOR-HNNXBMFYSA-N 1 0 276.428 2.270 10 0 CEAERO CC[C@@H]1CN[C@@H](C(C)(C)C)C[N@@H+]1CCCn1ccnc1 ZINC000071346197 176132000 /nfs/dbraw/zinc/13/20/00/176132000.db2.gz MNYPGDFMXHSCMU-HUUCEWRRSA-N 1 0 278.444 2.372 10 0 CEAERO COCCOCCN1C[C@H](C(C)(C)C)[NH2+]CC12CCCC2 ZINC000071348936 176132691 /nfs/dbraw/zinc/13/26/91/176132691.db2.gz VXMOJIGORKLMFP-OAHLLOKOSA-N 1 0 298.471 2.282 10 0 CEAERO CC(C)(C)c1ccc(CN2CCC[N@H+](CCO)CC2)cc1 ZINC000071350132 176133290 /nfs/dbraw/zinc/13/32/90/176133290.db2.gz OJEPGDOBTIZZFW-UHFFFAOYSA-N 1 0 290.451 2.484 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@H](CC(C)C)CN1CCOCCOC ZINC000071351855 176134749 /nfs/dbraw/zinc/13/47/49/176134749.db2.gz WOYDWGQWGYHYFL-CVEARBPZSA-N 1 0 286.460 2.138 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@@H](CC(C)C)CN1CCn1cccn1 ZINC000071351762 176134910 /nfs/dbraw/zinc/13/49/10/176134910.db2.gz JEEDUURZJLANQQ-HOTGVXAUSA-N 1 0 278.444 2.372 10 0 CEAERO CC[C@H]1C[NH2+][C@](C)(CC)CN1CCOCC(F)(F)F ZINC000071356593 176137033 /nfs/dbraw/zinc/13/70/33/176137033.db2.gz KLVILLPNSRZAQT-NWDGAFQWSA-N 1 0 282.350 2.418 10 0 CEAERO CC(C)n1c(C[NH3+])nnc1SCc1cccnc1 ZINC000071374262 176139983 /nfs/dbraw/zinc/13/99/83/176139983.db2.gz ZSSJGNMMJRTREL-UHFFFAOYSA-N 1 0 263.370 2.005 10 0 CEAERO Cc1sc(C(=O)NCC[N@@H+](C)C2CCCC2)cc1N ZINC000071376531 176141239 /nfs/dbraw/zinc/14/12/39/176141239.db2.gz BOEILBXFNFIERV-UHFFFAOYSA-N 1 0 281.425 2.243 10 0 CEAERO C[N@H+](CCNC(=O)[C@@H]1Cc2ccccc2N1)C1CCCC1 ZINC000071378457 176142725 /nfs/dbraw/zinc/14/27/25/176142725.db2.gz HJAJXUIXBKTRLY-INIZCTEOSA-N 1 0 287.407 2.014 10 0 CEAERO Cc1ccc(N)c(C(=O)N2CC[NH+](CCC(C)C)CC2)c1 ZINC000071383227 176146473 /nfs/dbraw/zinc/14/64/73/176146473.db2.gz MXDSIPCDGCBNST-UHFFFAOYSA-N 1 0 289.423 2.381 10 0 CEAERO Cc1ccc(N)c(CN2CCC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000071384072 176146964 /nfs/dbraw/zinc/14/69/64/176146964.db2.gz UPUFVDNGHDWIFP-OAHLLOKOSA-N 1 0 259.397 2.247 10 0 CEAERO C[NH+]1CCC(OC(=O)c2ccc(N)c(Cl)c2)CC1 ZINC000071392736 176149337 /nfs/dbraw/zinc/14/93/37/176149337.db2.gz JLOVKCJLJKLOSM-UHFFFAOYSA-N 1 0 268.744 2.173 10 0 CEAERO CC(C)(O)COc1ccc(C[NH3+])cc1C(F)(F)F ZINC000071398361 176151859 /nfs/dbraw/zinc/15/18/59/176151859.db2.gz IOZHOUVUPIQVCU-UHFFFAOYSA-N 1 0 263.259 2.314 10 0 CEAERO C[NH2+]Cc1ccc(O[C@@H]2CCOC2=O)c(C(F)(F)F)c1 ZINC000071398544 176151927 /nfs/dbraw/zinc/15/19/27/176151927.db2.gz WIJYRSGCXGWMRO-LLVKDONJSA-N 1 0 289.253 2.119 10 0 CEAERO CCCCNC(=O)COc1ccc(C)cc1C[NH2+]C ZINC000071403497 176154717 /nfs/dbraw/zinc/15/47/17/176154717.db2.gz NXNNUAVBWIHBOA-UHFFFAOYSA-N 1 0 264.369 2.010 10 0 CEAERO CC[C@H](C)NC(=O)[C@H](C)Oc1ccc(C)cc1C[NH3+] ZINC000071403375 176155039 /nfs/dbraw/zinc/15/50/39/176155039.db2.gz SNDDMPUXBSGOTH-RYUDHWBXSA-N 1 0 264.369 2.136 10 0 CEAERO CC[NH2+]Cc1cc(C)ccc1O[C@@H]1CCCCNC1=O ZINC000071406126 176155921 /nfs/dbraw/zinc/15/59/21/176155921.db2.gz NGTLVPNYSQPLBA-OAHLLOKOSA-N 1 0 276.380 2.152 10 0 CEAERO Cc1noc(COc2ccc(C)cc2C[C@H](C)[NH3+])n1 ZINC000071411652 176157062 /nfs/dbraw/zinc/15/70/62/176157062.db2.gz UBQYSFRNIZPYSL-JTQLQIEISA-N 1 0 261.325 2.155 10 0 CEAERO Cc1ccc(OCC(=O)N[C@H](C)C(C)C)c(C[C@@H](C)[NH3+])c1 ZINC000071411819 176157618 /nfs/dbraw/zinc/15/76/18/176157618.db2.gz NNIXDNCMIFPQPW-ZIAGYGMSSA-N 1 0 292.423 2.424 10 0 CEAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1CCCc2ccccc21 ZINC000071412886 176158329 /nfs/dbraw/zinc/15/83/29/176158329.db2.gz MBZDNRFNEDAFCS-APHBMKBZSA-N 1 0 272.392 2.221 10 0 CEAERO COc1ccc2c(ccn(CC[NH+]3CCCC3)c2=O)c1 ZINC000071503222 176192803 /nfs/dbraw/zinc/19/28/03/176192803.db2.gz CCMIRKKJPCIWRQ-UHFFFAOYSA-N 1 0 272.348 2.106 10 0 CEAERO COc1cc(C[C@H]([NH3+])C(C)C)cc(OC)c1OC ZINC000071574760 176201842 /nfs/dbraw/zinc/20/18/42/176201842.db2.gz IIQALAFJAWXCPV-NSHDSACASA-N 1 0 253.342 2.238 10 0 CEAERO COc1ccc(Br)cc1CC1C[NH2+]C1 ZINC000071577341 176205866 /nfs/dbraw/zinc/20/58/66/176205866.db2.gz VTMJKADWVUXVOR-UHFFFAOYSA-N 1 0 256.143 2.220 10 0 CEAERO CN1CC[NH2+]C[C@H]1c1cc(Br)cs1 ZINC000071587280 176214843 /nfs/dbraw/zinc/21/48/43/176214843.db2.gz NJUBWFJKOMLQQB-QMMMGPOBSA-N 1 0 261.188 2.087 10 0 CEAERO COc1ccccc1[C@H]1Cc2n[nH]c(C)c2[C@H]([NH3+])C1 ZINC000072415410 176399598 /nfs/dbraw/zinc/39/95/98/176399598.db2.gz KBBSFKPJPQLFIO-ZYHUDNBSSA-N 1 0 257.337 2.457 10 0 CEAERO C[C@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000662446742 415846986 /nfs/dbraw/zinc/84/69/86/415846986.db2.gz PAVVQZSAMPTLOF-PEXQALLHSA-N 1 0 252.745 2.255 10 0 CEAERO Fc1cccnc1N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656608926 415784433 /nfs/dbraw/zinc/78/44/33/415784433.db2.gz OTQGLUPVLNFXGH-ZDUSSCGKSA-N 1 0 263.360 2.437 10 0 CEAERO Fc1ccc(N2CCC([C@H]3CCC[NH2+]C3)CC2)nc1 ZINC000656608699 415784475 /nfs/dbraw/zinc/78/44/75/415784475.db2.gz MJGDENAESVXQOF-ZDUSSCGKSA-N 1 0 263.360 2.437 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC(C2CCC2)CC1 ZINC000662633232 415913535 /nfs/dbraw/zinc/91/35/35/415913535.db2.gz YBYZKEUFOHSYSQ-SMDDNHRTSA-N 1 0 252.402 2.399 10 0 CEAERO COc1cc(NC(=O)C2(C[NH3+])CC2)c(OC)cc1Cl ZINC000076492655 177028196 /nfs/dbraw/zinc/02/81/96/177028196.db2.gz ZVHQFPCJCZMSDQ-UHFFFAOYSA-N 1 0 284.743 2.035 10 0 CEAERO CC(C)NC(=O)CC[C@H](C[NH3+])c1ccccc1F ZINC000076656709 177045928 /nfs/dbraw/zinc/04/59/28/177045928.db2.gz LEKJRJXNFSKJBE-LLVKDONJSA-N 1 0 252.333 2.173 10 0 CEAERO [NH3+]CC[C@@H](C(=O)NCc1ccco1)c1ccccc1 ZINC000076665688 177050855 /nfs/dbraw/zinc/05/08/55/177050855.db2.gz WLXGCNNEBMYQLZ-CQSZACIVSA-N 1 0 258.321 2.028 10 0 CEAERO COc1ccccc1OC[C@@H](C[NH3+])c1ccncc1 ZINC000076666175 177050882 /nfs/dbraw/zinc/05/08/82/177050882.db2.gz KIAUQCGCLIHRSO-CYBMUJFWSA-N 1 0 258.321 2.212 10 0 CEAERO CC1(C)COC[C@]2(CC[N@H+](Cc3ccccc3)C2)N1 ZINC000076698256 177061516 /nfs/dbraw/zinc/06/15/16/177061516.db2.gz IRSHKBSCPOBWHA-MRXNPFEDSA-N 1 0 260.381 2.030 10 0 CEAERO CCCCN(C(=O)C[NH3+])c1ccc(OC)c(Cl)c1 ZINC000076710754 177067929 /nfs/dbraw/zinc/06/79/29/177067929.db2.gz VKQXEKIFCIHJTI-UHFFFAOYSA-N 1 0 270.760 2.440 10 0 CEAERO COC(=O)c1ccc(Cl)c(NC(=O)C[C@@H](C)C[NH3+])c1 ZINC000076772544 177087222 /nfs/dbraw/zinc/08/72/22/177087222.db2.gz LPQKYPVDYSYGSF-MRVPVSSYSA-N 1 0 284.743 2.050 10 0 CEAERO O=C(COC1CC[NH2+]CC1)c1c[nH]c2ccccc21 ZINC000077252382 177240021 /nfs/dbraw/zinc/24/00/21/177240021.db2.gz ZTJOXWHSRRNYON-UHFFFAOYSA-N 1 0 258.321 2.119 10 0 CEAERO CC[NH+](CC)C[C@H](C)Nc1nnc(Br)s1 ZINC000077898728 177308785 /nfs/dbraw/zinc/30/87/85/177308785.db2.gz TZMCQVJAOFUQKF-ZETCQYMHSA-N 1 0 293.234 2.443 10 0 CEAERO CC[C@@H]([NH2+]C[C@H]1CN(CC)CCO1)c1ccccc1 ZINC000078516247 177348821 /nfs/dbraw/zinc/34/88/21/177348821.db2.gz FVKWZGUSSJRCMD-JKSUJKDBSA-N 1 0 262.397 2.448 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CSc1ccncc1 ZINC000078615118 177360186 /nfs/dbraw/zinc/36/01/86/177360186.db2.gz PRIJCUVNPQSDRV-CYBMUJFWSA-N 1 0 295.452 2.266 10 0 CEAERO Nc1cc[nH+]cc1C[C@@H](O)c1ccc2ccccc2n1 ZINC000078656793 177367350 /nfs/dbraw/zinc/36/73/50/177367350.db2.gz QHBXXIHKKAZZEA-MRXNPFEDSA-N 1 0 265.316 2.488 10 0 CEAERO Cn1c2ccccc2nc1N1CCC[C@H](CC[NH3+])C1 ZINC000079048684 177421709 /nfs/dbraw/zinc/42/17/09/177421709.db2.gz YZWNIFFFTYRHOA-GFCCVEGCSA-N 1 0 258.369 2.139 10 0 CEAERO COC(=O)c1ccc(F)cc1NC(=O)CC[C@H](C)CC[NH3+] ZINC000079190834 177441959 /nfs/dbraw/zinc/44/19/59/177441959.db2.gz MVXIYIDWQHDULY-JTQLQIEISA-N 1 0 296.342 2.316 10 0 CEAERO C[C@@H](CC[NH3+])CCC(=O)N1C[C@@H](C)S[C@@H](C)C1 ZINC000079192900 177442143 /nfs/dbraw/zinc/44/21/43/177442143.db2.gz VZNHPPLEZCVEPU-UTUOFQBUSA-N 1 0 258.431 2.104 10 0 CEAERO CCC[C@@H](CC[NH3+])CCC(=O)N[C@H]1CCC[C@@H]1OC ZINC000079241370 177454497 /nfs/dbraw/zinc/45/44/97/177454497.db2.gz FFOQQQLDVRVKAR-RDBSUJKOSA-N 1 0 270.417 2.215 10 0 CEAERO CC(C)[C@H]1CCC(=O)N(C[C@@H]2CCCC[NH2+]2)CC1 ZINC000079249113 177456756 /nfs/dbraw/zinc/45/67/56/177456756.db2.gz YVXKMIIREJUSGP-KBPBESRZSA-N 1 0 252.402 2.413 10 0 CEAERO Cc1cc(NC(=O)CC[C@H](CC[NH3+])C(C)C)on1 ZINC000079254013 177459019 /nfs/dbraw/zinc/45/90/19/177459019.db2.gz WDWRGRQEKZYWQN-LLVKDONJSA-N 1 0 253.346 2.323 10 0 CEAERO Cc1cc(CNC(=O)CC[C@@H](CC[NH3+])C(C)C)no1 ZINC000079278268 177461870 /nfs/dbraw/zinc/46/18/70/177461870.db2.gz VLJFFOWKNOZJLI-LBPRGKRZSA-N 1 0 267.373 2.000 10 0 CEAERO CCC[C@H]1CCCN(C(=O)n2cc[n+](C)c2)CC1 ZINC000079358510 177471887 /nfs/dbraw/zinc/47/18/87/177471887.db2.gz BKNZLVPDDYPWMV-ZDUSSCGKSA-N 1 0 250.366 2.183 10 0 CEAERO CCN(Cc1ccc(OC)c(F)c1)C(=O)[C@]1(C)CCC[NH2+]1 ZINC000079516579 177512870 /nfs/dbraw/zinc/51/28/70/177512870.db2.gz VGSHNFIEISULMA-INIZCTEOSA-N 1 0 294.370 2.325 10 0 CEAERO COc1ccc([C@H](C)NC(=O)[C@]2(C)CCC[NH2+]2)cc1OC ZINC000079545600 177518593 /nfs/dbraw/zinc/51/85/93/177518593.db2.gz CQGBKZIDUNUHNF-ZBEGNZNMSA-N 1 0 292.379 2.023 10 0 CEAERO CC1(C)CCC(=O)[C@@H](C[NH+]2CCC(CO)CC2)C1 ZINC000079661087 177532870 /nfs/dbraw/zinc/53/28/70/177532870.db2.gz XUOOPZODGBOTKC-CYBMUJFWSA-N 1 0 253.386 2.086 10 0 CEAERO CCC[C@H](COC)[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000079744827 177549507 /nfs/dbraw/zinc/54/95/07/177549507.db2.gz RWHLAXSVKRXPJJ-HUUCEWRRSA-N 1 0 251.370 2.299 10 0 CEAERO NC(=[NH2+])c1cccc(CNC(=O)Nc2ccc(F)cc2)c1 ZINC000079777450 177556688 /nfs/dbraw/zinc/55/66/88/177556688.db2.gz UWNGIVJQHKMHGF-UHFFFAOYSA-N 1 0 286.310 2.431 10 0 CEAERO [NH3+]Cc1cc(=O)[nH]c(C2(c3ccccc3)CCCC2)n1 ZINC000079939450 177584100 /nfs/dbraw/zinc/58/41/00/177584100.db2.gz VTIJIABSIUKOLG-UHFFFAOYSA-N 1 0 269.348 2.089 10 0 CEAERO CC[C@@H]1CN(c2nc(C[NH2+]C3CC3)cs2)CCO1 ZINC000079943100 177586711 /nfs/dbraw/zinc/58/67/11/177586711.db2.gz LFJBICRTJZCGJC-GFCCVEGCSA-N 1 0 267.398 2.010 10 0 CEAERO CC(C)(C)OC(=O)N1CC([NH2+][C@H]2C[C@H]3CC[C@@H]2C3)C1 ZINC000080168822 177617799 /nfs/dbraw/zinc/61/77/99/177617799.db2.gz KYGQRJMXDZSCRI-LOWVWBTDSA-N 1 0 266.385 2.384 10 0 CEAERO CCOc1ccccc1NC(=O)C[C@H]([NH3+])C(C)C ZINC000136293727 419443376 /nfs/dbraw/zinc/44/33/76/419443376.db2.gz CJRCGTPFBFCZQK-NSHDSACASA-N 1 0 250.342 2.397 10 0 CEAERO CC(=O)Nc1cc(NC(=O)C[C@H]([NH3+])C(C)C)ccc1C ZINC000136363114 419443619 /nfs/dbraw/zinc/44/36/19/419443619.db2.gz OVCULYKAJMEWRD-ZDUSSCGKSA-N 1 0 277.368 2.265 10 0 CEAERO COc1ccc(F)cc1[C@@H](C)NC(=O)C[C@@H]([NH3+])C(C)C ZINC000136358252 419444552 /nfs/dbraw/zinc/44/45/52/419444552.db2.gz UWNDXGDTZXADAW-ZWNOBZJWSA-N 1 0 282.359 2.385 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)N1CCC[C@H]1c1cccnc1 ZINC000136313846 419444883 /nfs/dbraw/zinc/44/48/83/419444883.db2.gz OQKKEJJUJALDEX-KGLIPLIRSA-N 1 0 261.369 2.119 10 0 CEAERO CC(C)NC(=O)c1ccc(NC(=O)C[C@H]([NH3+])C(C)C)cc1 ZINC000136370250 419445153 /nfs/dbraw/zinc/44/51/53/419445153.db2.gz MUTMUJIUEFQIAJ-AWEZNQCLSA-N 1 0 291.395 2.137 10 0 CEAERO Cc1ccccc1OCCN(C)C(=O)C[C@H]([NH3+])C(C)C ZINC000136380703 419447106 /nfs/dbraw/zinc/44/71/06/419447106.db2.gz YFWTZXUQDHCNLC-AWEZNQCLSA-N 1 0 278.396 2.206 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000136399351 419447376 /nfs/dbraw/zinc/44/73/76/419447376.db2.gz MAUCMPLPFOQMPU-CABCVRRESA-N 1 0 294.370 2.099 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CCc2ccccc2C1 ZINC000136450550 419448056 /nfs/dbraw/zinc/44/80/56/419448056.db2.gz ZGRXZMMWGIQKEA-LSDHHAIUSA-N 1 0 260.381 2.034 10 0 CEAERO CCN(Cc1ccc(OC)cc1)C(=O)C[C@H]([NH3+])C(C)C ZINC000136395741 419448725 /nfs/dbraw/zinc/44/87/25/419448725.db2.gz CHDHBZSCHWSURC-HNNXBMFYSA-N 1 0 278.396 2.417 10 0 CEAERO CCCCOC[C@@H](O)C[NH2+]CCc1cccc(F)c1 ZINC000227889009 270311853 /nfs/dbraw/zinc/31/18/53/270311853.db2.gz VZQVTJXJRBMNQP-HNNXBMFYSA-N 1 0 269.360 2.135 10 0 CEAERO CO[C@@H](CN(C)[C@@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000425415261 264292768 /nfs/dbraw/zinc/29/27/68/264292768.db2.gz FPNUHYPSWFKIQK-JQWIXIFHSA-N 1 0 257.374 2.073 10 0 CEAERO Cn1nccc1C1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000188994457 270260815 /nfs/dbraw/zinc/26/08/15/270260815.db2.gz IQHFBCQTNAAHPM-CQSZACIVSA-N 1 0 263.385 2.169 10 0 CEAERO C[NH+](C)C[C@H](NC(=O)C(=O)c1ccccc1)c1ccccc1 ZINC000194043751 270292095 /nfs/dbraw/zinc/29/20/95/270292095.db2.gz PEBNYZOYDGLREK-INIZCTEOSA-N 1 0 296.370 2.288 10 0 CEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000392864877 270341353 /nfs/dbraw/zinc/34/13/53/270341353.db2.gz GQESCBSWLWCSSH-VHSXEESVSA-N 1 0 281.425 2.197 10 0 CEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000393036578 270341964 /nfs/dbraw/zinc/34/19/64/270341964.db2.gz XXTGODHYNPXQQN-NAKRPEOUSA-N 1 0 278.318 2.364 10 0 CEAERO CC(=O)Nc1cccc([C@H](C)N[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000396531983 270349166 /nfs/dbraw/zinc/34/91/66/270349166.db2.gz HPRNFAXJTPWZOM-MQIPJXDCSA-N 1 0 275.396 2.436 10 0 CEAERO C[C@H]([NH2+]Cc1cnn[nH]1)C12CC3CC(CC(C3)C1)C2 ZINC000398378858 270358034 /nfs/dbraw/zinc/35/80/34/270358034.db2.gz SZOVKKARVLLFLC-OWWVKFPZSA-N 1 0 260.385 2.499 10 0 CEAERO CCCCOC[C@H](O)C[NH+]1C[C@H](CC)O[C@@H](CC)C1 ZINC000398692095 270361540 /nfs/dbraw/zinc/36/15/40/270361540.db2.gz SHGMJYRAXAPXNB-ILXRZTDVSA-N 1 0 273.417 2.053 10 0 CEAERO C[C@H]1CC[C@H](O)C[N@@H+]1CCOc1ccccc1F ZINC000399170247 270367119 /nfs/dbraw/zinc/36/71/19/270367119.db2.gz CHFNWNZZTNHSCF-RYUDHWBXSA-N 1 0 253.317 2.050 10 0 CEAERO COc1c(C)cnc(C[N@H+](C)[C@@H]2CCC[C@@H]2O)c1C ZINC000352667472 274087904 /nfs/dbraw/zinc/08/79/04/274087904.db2.gz KOTKLQQPRPRGSH-KGLIPLIRSA-N 1 0 264.369 2.052 10 0 CEAERO C[C@@H](O)C[N@@H+]1CCN(CCSc2ccccc2)C[C@H]1C ZINC000117879921 274269397 /nfs/dbraw/zinc/26/93/97/274269397.db2.gz KIGFEWQDOHKEJB-HUUCEWRRSA-N 1 0 294.464 2.166 10 0 CEAERO C[C@@H]1CC[C@H]([NH2+]CCC2CCOCC2)[C@H](n2cncn2)C1 ZINC000328882622 274318268 /nfs/dbraw/zinc/31/82/68/274318268.db2.gz LVCKCVQYADPILY-VNQPRFMTSA-N 1 0 292.427 2.414 10 0 CEAERO Cc1sc2nc(C)nc(N(C)[C@@H](C)C[NH3+])c2c1C ZINC000261553706 274878540 /nfs/dbraw/zinc/87/85/40/274878540.db2.gz AMORWNHUCRVPGC-ZETCQYMHSA-N 1 0 264.398 2.400 10 0 CEAERO c1ccc2c(c1)OC[C@@H]2N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250854415 275070570 /nfs/dbraw/zinc/07/05/70/275070570.db2.gz OQKDNFXVWXNZBB-IPYPFGDCSA-N 1 0 258.365 2.337 10 0 CEAERO Brc1ccc(N2CC[C@@]3(CC[NH2+]C3)C2)nc1 ZINC000261571710 275369850 /nfs/dbraw/zinc/36/98/50/275369850.db2.gz HTEDETHYNRSDCU-GFCCVEGCSA-N 1 0 282.185 2.034 10 0 CEAERO CC(C)c1ccccc1NC(=O)CN1CCC[C@H]1C[NH3+] ZINC000128168386 275754529 /nfs/dbraw/zinc/75/45/29/275754529.db2.gz FCNSULDDLDJHBD-ZDUSSCGKSA-N 1 0 275.396 2.172 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000223995037 276043255 /nfs/dbraw/zinc/04/32/55/276043255.db2.gz BXRYVVGBDZCTFV-UTLUCORTSA-N 1 0 266.307 2.351 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+]C[C@@H]2CCC[C@H](C)C2)C1 ZINC000263524155 276087541 /nfs/dbraw/zinc/08/75/41/276087541.db2.gz SMPUFNBBDRXKHC-ZUJMUWTESA-N 1 0 282.428 2.340 10 0 CEAERO CCN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000247397729 276318838 /nfs/dbraw/zinc/31/88/38/276318838.db2.gz YBOBPEDQMMBCTD-HUUCEWRRSA-N 1 0 292.427 2.085 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCCC2(C)C)C1 ZINC000177437583 276368868 /nfs/dbraw/zinc/36/88/68/276368868.db2.gz KIAXSCRQAQBROU-CHWSQXEVSA-N 1 0 267.417 2.349 10 0 CEAERO C[NH+]1CCN(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000091730693 276927963 /nfs/dbraw/zinc/92/79/63/276927963.db2.gz NXYNNKRIULJCQO-CQSZACIVSA-N 1 0 293.798 2.080 10 0 CEAERO COC[C@H](C)[N@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000173691755 293015885 /nfs/dbraw/zinc/01/58/85/293015885.db2.gz GWWFZLHLWBJQMY-KBPBESRZSA-N 1 0 298.452 2.088 10 0 CEAERO CN1CCO[C@@H](C[NH2+][C@@H]2CCc3c2cccc3Cl)C1 ZINC000153039240 277119667 /nfs/dbraw/zinc/11/96/67/277119667.db2.gz BYFMXRXMBVOZST-XHDPSFHLSA-N 1 0 280.799 2.248 10 0 CEAERO CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@H](C[NH3+])[C@@H]2C1 ZINC000096958452 277195083 /nfs/dbraw/zinc/19/50/83/277195083.db2.gz ATFHYPICLWVHFR-WOPDTQHZSA-N 1 0 254.374 2.228 10 0 CEAERO CC(C)(C)OC1CC(N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000334473132 277209882 /nfs/dbraw/zinc/20/98/82/277209882.db2.gz IUDCAPWTZUMUIU-IYXRBSQSSA-N 1 0 252.402 2.113 10 0 CEAERO C[NH2+]C[C@H]1CCCN1c1cc(C)c(Br)cn1 ZINC000163965688 277285732 /nfs/dbraw/zinc/28/57/32/277285732.db2.gz BEBVMMDLGLGXFS-SNVBAGLBSA-N 1 0 284.201 2.341 10 0 CEAERO CC(C)(C[NH3+])C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000122959342 277298169 /nfs/dbraw/zinc/29/81/69/277298169.db2.gz HEZNGKPBOSXDAY-BDAKNGLRSA-N 1 0 266.307 2.209 10 0 CEAERO CO[C@H](CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccc(F)cc1 ZINC000261647801 277331798 /nfs/dbraw/zinc/33/17/98/277331798.db2.gz DHVKRQBHFPENFR-BPLDGKMQSA-N 1 0 294.370 2.004 10 0 CEAERO CSC[C@@H](C)[NH2+][C@@H]1CC(=O)N(C)c2ccccc21 ZINC000131539112 277512829 /nfs/dbraw/zinc/51/28/29/277512829.db2.gz IPHQCJKCTGCSMR-ZYHUDNBSSA-N 1 0 264.394 2.435 10 0 CEAERO CC(C)[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000253169924 277779141 /nfs/dbraw/zinc/77/91/41/277779141.db2.gz FDHRXVJXTKMCSH-KWCYVHTRSA-N 1 0 252.402 2.173 10 0 CEAERO CC(F)(F)CC[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000334605792 278160782 /nfs/dbraw/zinc/16/07/82/278160782.db2.gz JZRATKBUGHNVEY-NXEZZACHSA-N 1 0 251.342 2.238 10 0 CEAERO CC1(C)CCC[NH2+][C@@H]1C(=O)N1C[C@H]2CCC[C@@H]2C1 ZINC000232802442 278220606 /nfs/dbraw/zinc/22/06/06/278220606.db2.gz HZNWSUXLMAHFKX-JHJVBQTASA-N 1 0 250.386 2.023 10 0 CEAERO CC(C)(C(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1F ZINC000171587070 278264467 /nfs/dbraw/zinc/26/44/67/278264467.db2.gz HWPBZDYJOJEKAX-ZDUSSCGKSA-N 1 0 290.382 2.410 10 0 CEAERO CC1(C)CN(C(=O)NC2CCCCC2)CC[C@H]1[NH3+] ZINC000259059678 278300854 /nfs/dbraw/zinc/30/08/54/278300854.db2.gz HJXCLEWNUBCVNM-GFCCVEGCSA-N 1 0 253.390 2.088 10 0 CEAERO C[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000037042892 278304422 /nfs/dbraw/zinc/30/44/22/278304422.db2.gz PEQWXZBXIBNDNI-HTQZYQBOSA-N 1 0 260.259 2.230 10 0 CEAERO C[C@H]1CCCC[C@@H]1C[NH+]1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000263520747 278334359 /nfs/dbraw/zinc/33/43/59/278334359.db2.gz QUBDPAKUGNIOAB-UONOGXRCSA-N 1 0 282.428 2.294 10 0 CEAERO C[C@H]1CCC[C@H](C[NH+]2CCC([N@H+](C)CC(=O)[O-])CC2)C1 ZINC000263524420 278351917 /nfs/dbraw/zinc/35/19/17/278351917.db2.gz SPEXVVXINZSDJD-KBPBESRZSA-N 1 0 282.428 2.294 10 0 CEAERO C[C@H]1COC[C@H](C)[NH+]1CCc1ccc2c(c1)CCO2 ZINC000075766295 278461518 /nfs/dbraw/zinc/46/15/18/278461518.db2.gz CJUDFQRZQIDETP-STQMWFEESA-N 1 0 261.365 2.273 10 0 CEAERO CC(C)(CO)CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000376467642 278623100 /nfs/dbraw/zinc/62/31/00/278623100.db2.gz GNXJERCOYOLVNT-XQQFMLRXSA-N 1 0 255.402 2.188 10 0 CEAERO CCC[C@H](C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)[NH+](C)C ZINC000252735895 278922923 /nfs/dbraw/zinc/92/29/23/278922923.db2.gz RZUNSTMQLSIINQ-KBUPBQIOSA-N 1 0 294.439 2.181 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1Nc1nnc(C(F)(F)F)s1 ZINC000229607534 279036077 /nfs/dbraw/zinc/03/60/77/279036077.db2.gz BYYNYSRGYGTMMF-NTSWFWBYSA-N 1 0 266.292 2.109 10 0 CEAERO CC(C)C[C@H](C)C[NH+]1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000263570920 279094009 /nfs/dbraw/zinc/09/40/09/279094009.db2.gz ITTAKEQEZINWDX-ZDUSSCGKSA-N 1 0 270.417 2.149 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1ccc2ccccc2c1O ZINC000312728729 279114667 /nfs/dbraw/zinc/11/46/67/279114667.db2.gz IUOFATXSQIPVAL-QMTHXVAHSA-N 1 0 270.332 2.107 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[C@@H](C)[C@@H]1C ZINC000246679108 279124854 /nfs/dbraw/zinc/12/48/54/279124854.db2.gz DDDGOKCTWUMSTQ-HZSPNIEDSA-N 1 0 269.433 2.403 10 0 CEAERO CCN(CC1CC1)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000069972937 279170812 /nfs/dbraw/zinc/17/08/12/279170812.db2.gz AOPHLYWZJBSFEG-INIZCTEOSA-N 1 0 274.408 2.418 10 0 CEAERO Cc1sc2nc(C)nc(N(C)[C@@H]3CC[NH2+]C3)c2c1C ZINC000261602173 279285808 /nfs/dbraw/zinc/28/58/08/279285808.db2.gz QKAVXCDZVRGAMK-LLVKDONJSA-N 1 0 276.409 2.415 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000245438842 279300541 /nfs/dbraw/zinc/30/05/41/279300541.db2.gz YPKPDYKWQINBLX-KBXIAJHMSA-N 1 0 264.413 2.365 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)C(=O)OC(C)(C)C ZINC000092632057 279328393 /nfs/dbraw/zinc/32/83/93/279328393.db2.gz HUBXULBQGWFXQF-STQMWFEESA-N 1 0 270.417 2.133 10 0 CEAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)c1ccc(Cl)cn1 ZINC000282502181 279532786 /nfs/dbraw/zinc/53/27/86/279532786.db2.gz YGFQWAKPYMQECL-SBMIAAHKSA-N 1 0 267.760 2.053 10 0 CEAERO C[C@H](OCc1ccccc1)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000404495831 279588406 /nfs/dbraw/zinc/58/84/06/279588406.db2.gz GDNJLDJUFZGINE-OFQRWUPVSA-N 1 0 290.407 2.035 10 0 CEAERO CC(C)CC[NH+]1CCC(CNC(=O)N[C@H]2C[C@@H]2C)CC1 ZINC000080217487 279690015 /nfs/dbraw/zinc/69/00/15/279690015.db2.gz NIHZBFZYLSTHCL-ZFWWWQNUSA-N 1 0 281.444 2.452 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2CO)C12CCC2 ZINC000300413596 279875356 /nfs/dbraw/zinc/87/53/56/279875356.db2.gz BQHDRLIFUIHWAF-LJISPDSOSA-N 1 0 267.413 2.475 10 0 CEAERO O=C(Nc1nc2c(s1)C[NH2+]CC2)c1ccc(Cl)o1 ZINC000036233013 280057866 /nfs/dbraw/zinc/05/78/66/280057866.db2.gz OFXOFHBZTSHHEC-UHFFFAOYSA-N 1 0 283.740 2.288 10 0 CEAERO C[NH2+]CCC1CCN(c2ccc(C(=O)OC)c(C)n2)CC1 ZINC000147684187 280076733 /nfs/dbraw/zinc/07/67/33/280076733.db2.gz JCYAXIBRFFQYFR-UHFFFAOYSA-N 1 0 291.395 2.003 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1c1ncc(Cl)cc1Br ZINC000261531294 280114860 /nfs/dbraw/zinc/11/48/60/280114860.db2.gz GASFVXPJVSQFCT-IMTBSYHQSA-N 1 0 290.592 2.423 10 0 CEAERO C[C@@H](c1cnccn1)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000184567001 280117281 /nfs/dbraw/zinc/11/72/81/280117281.db2.gz ODGSCFJVIYYMNV-UONOGXRCSA-N 1 0 283.379 2.367 10 0 CEAERO CC(C)[C@H](C)NC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185455884 280124545 /nfs/dbraw/zinc/12/45/45/280124545.db2.gz ZJFWNMLDPWGUGR-ZDUSSCGKSA-N 1 0 269.433 2.452 10 0 CEAERO COc1ccc([C@H](C)C[N@@H+]2CCCNC(=O)[C@H]2C)cc1 ZINC000189078367 280142835 /nfs/dbraw/zinc/14/28/35/280142835.db2.gz LRXMJRYTUUPZPN-CHWSQXEVSA-N 1 0 276.380 2.009 10 0 CEAERO CC(C)[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000173330076 280217466 /nfs/dbraw/zinc/21/74/66/280217466.db2.gz DUCLCKTWUQWNOR-RWMBFGLXSA-N 1 0 255.406 2.155 10 0 CEAERO CCC[C@H](C(=O)NC[C@H]1CCCO[C@H]1C(C)C)[NH+](C)C ZINC000245769378 280260414 /nfs/dbraw/zinc/26/04/14/280260414.db2.gz KDUHTDLIOARKRV-KFWWJZLASA-N 1 0 284.444 2.284 10 0 CEAERO CC(C)[C@H](CO)C[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000348295608 280260533 /nfs/dbraw/zinc/26/05/33/280260533.db2.gz UHIZPQCCVMXWQW-OLZOCXBDSA-N 1 0 275.396 2.488 10 0 CEAERO CSC[C@@H]1CCCN1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246602345 280302955 /nfs/dbraw/zinc/30/29/55/280302955.db2.gz DDPNPNFLTGYDEQ-HZSPNIEDSA-N 1 0 299.484 2.252 10 0 CEAERO Cc1cc(Br)cnc1N1CC[C@@H]([NH3+])[C@@H]1C ZINC000261538512 280311400 /nfs/dbraw/zinc/31/14/00/280311400.db2.gz YIYDVSCAHXLIBT-WCBMZHEXSA-N 1 0 270.174 2.078 10 0 CEAERO COC[C@@H](C)C[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000249194381 280388136 /nfs/dbraw/zinc/38/81/36/280388136.db2.gz ARTKUEOVIDLDHY-SMDDNHRTSA-N 1 0 265.401 2.456 10 0 CEAERO CC(C)c1nccnc1NC1CCC([NH+](C)C)CC1 ZINC000420630804 280816009 /nfs/dbraw/zinc/81/60/09/280816009.db2.gz UFUCKJBJTUUQAK-UHFFFAOYSA-N 1 0 262.401 2.307 10 0 CEAERO CC1(C)CN(C(=O)NC2CCCCC2)CC[C@@H]1[NH3+] ZINC000259059680 281169937 /nfs/dbraw/zinc/16/99/37/281169937.db2.gz HJXCLEWNUBCVNM-LBPRGKRZSA-N 1 0 253.390 2.088 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC2(C1)CCCCC2 ZINC000261628686 288325710 /nfs/dbraw/zinc/32/57/10/288325710.db2.gz FBSCYCDAVGNRAP-CHWSQXEVSA-N 1 0 250.386 2.025 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@H]1C1CCCC1 ZINC000235282506 288326000 /nfs/dbraw/zinc/32/60/00/288326000.db2.gz BUQIVEAVCKVLCJ-BNOWGMLFSA-N 1 0 250.386 2.023 10 0 CEAERO Cc1nc2c(c(N3C[C@@H]4CCC[N@H+]4C[C@H]3C)n1)CCCC2 ZINC000302046564 282012283 /nfs/dbraw/zinc/01/22/83/282012283.db2.gz LBAXXTRZUGTZJM-OCCSQVGLSA-N 1 0 286.423 2.337 10 0 CEAERO COC(=O)[C@@H]1CCC[N@H+](CCc2ccc(F)c(F)c2)C1 ZINC000152025954 289074779 /nfs/dbraw/zinc/07/47/79/289074779.db2.gz MUCNZKVODTZNRW-GFCCVEGCSA-N 1 0 283.318 2.392 10 0 CEAERO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCCSCC1 ZINC000155800504 289182997 /nfs/dbraw/zinc/18/29/97/289182997.db2.gz QIORLSXBQVTPOV-ZDUSSCGKSA-N 1 0 270.442 2.215 10 0 CEAERO CC1CCC(CN2CCO[C@@H](C[NH+](C)C)C2)CC1 ZINC000156650200 289200033 /nfs/dbraw/zinc/20/00/33/289200033.db2.gz XZPXXDWXPYJYGA-NRXISQOPSA-N 1 0 254.418 2.075 10 0 CEAERO CCC[C@@H](C(=O)N1CC[NH+](C2CCCCC2)CC1)[NH+](C)C ZINC000157966469 289225769 /nfs/dbraw/zinc/22/57/69/289225769.db2.gz FBHLPKCEOYLARH-INIZCTEOSA-N 1 0 295.471 2.194 10 0 CEAERO C[N@@H+]1CC[C@](O)(c2ccccc2CO)[C@H](c2ccccc2)C1 ZINC000066354570 290245950 /nfs/dbraw/zinc/24/59/50/290245950.db2.gz VEFVMTWOCWGCAI-OALUTQOASA-N 1 0 297.398 2.486 10 0 CEAERO CO[C@H](C)c1nsc(N(C)CC[C@@H]([NH3+])C(C)C)n1 ZINC000310672323 294348864 /nfs/dbraw/zinc/34/88/64/294348864.db2.gz OAKKFONNLIJPFZ-NXEZZACHSA-N 1 0 272.418 2.055 10 0 CEAERO [NH3+]C1(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)CCCC1 ZINC000037616676 295204652 /nfs/dbraw/zinc/20/46/52/295204652.db2.gz CPIJHHYXXUEDJR-UWVGGRQHSA-N 1 0 278.318 2.495 10 0 CEAERO [NH3+]C[C@H]1CCCCN1c1cccc(C(F)(F)F)n1 ZINC000044559887 295266016 /nfs/dbraw/zinc/26/60/16/295266016.db2.gz UKZVWIJAGHEIBK-SECBINFHSA-N 1 0 259.275 2.418 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000261697672 295315198 /nfs/dbraw/zinc/31/51/98/295315198.db2.gz IDQYPTHRXAYBOP-XGUBFFRZSA-N 1 0 290.411 2.001 10 0 CEAERO [NH3+][C@H]1CC[C@H](C(=O)NCC23CC4CC(CC(C4)C2)C3)C1 ZINC000091544710 295341395 /nfs/dbraw/zinc/34/13/95/295341395.db2.gz NNKLVQZKMUMHOL-MGZIPMFSSA-N 1 0 276.424 2.446 10 0 CEAERO C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000253280026 297571553 /nfs/dbraw/zinc/57/15/53/297571553.db2.gz UECXMTHYQKOUCD-HRCADAONSA-N 1 0 294.439 2.278 10 0 CEAERO CCCCOC[C@H](O)C[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000516862247 297605518 /nfs/dbraw/zinc/60/55/18/297605518.db2.gz RAXYJTBMQJVATB-ZNMIVQPWSA-N 1 0 287.444 2.347 10 0 CEAERO COCC[NH2+]C[C@H](O)c1c(Cl)cccc1Cl ZINC000055030589 523943156 /nfs/dbraw/zinc/94/31/56/523943156.db2.gz JSNCJABCLURXBR-JTQLQIEISA-N 1 0 264.152 2.263 10 0 CEAERO C[C@H](CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(C)(C)C ZINC000261577409 298295262 /nfs/dbraw/zinc/29/52/62/298295262.db2.gz OHCARMOXVGSAEO-JHJVBQTASA-N 1 0 252.402 2.127 10 0 CEAERO Cc1csc([C@H]2CCCCN2C(=O)C[C@H](C)[NH3+])n1 ZINC000261687917 302445338 /nfs/dbraw/zinc/44/53/38/302445338.db2.gz BWDSZKVEVCFOOA-GXSJLCMTSA-N 1 0 267.398 2.242 10 0 CEAERO [NH3+]C[C@@H](C(=O)N1C[C@@H]2CCCC[C@@H]2C1)c1ccccc1 ZINC000178566384 303391159 /nfs/dbraw/zinc/39/11/59/303391159.db2.gz RYRXBUBGWJROLP-OWCLPIDISA-N 1 0 272.392 2.378 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C1C2CC3CC(C2)CC1C3 ZINC000127548347 303404720 /nfs/dbraw/zinc/40/47/20/303404720.db2.gz GFRMTCNIRSJCAL-LOPNKKAKSA-N 1 0 276.424 2.302 10 0 CEAERO c1cnc2c(c1)nccc2N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000581874861 322428031 /nfs/dbraw/zinc/42/80/31/322428031.db2.gz KDCJDEKWNXCPLA-MRXNPFEDSA-N 1 0 268.364 2.210 10 0 CEAERO CC(C)n1nccc1[C@@H](C[NH3+])C1(CO)CCCC1 ZINC000536953059 330382735 /nfs/dbraw/zinc/38/27/35/330382735.db2.gz GUPXNQGTVIDJJL-GFCCVEGCSA-N 1 0 251.374 2.059 10 0 CEAERO C[C@@H]1C[C@H](C)CN([C@H]2C[NH2+]C[C@H](C(=O)OC(C)(C)C)C2)C1 ZINC000536960140 330384043 /nfs/dbraw/zinc/38/40/43/330384043.db2.gz PEDYCBZCIPOYTJ-LXTVHRRPSA-N 1 0 296.455 2.284 10 0 CEAERO CC(C)[NH+](C(C)C)[C@@H]1CNC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000536960862 330384272 /nfs/dbraw/zinc/38/42/72/330384272.db2.gz URWZDKIGHAGLMF-KBPBESRZSA-N 1 0 284.444 2.425 10 0 CEAERO C[C@@H]1CCCN([C@H]2C[NH2+]C[C@H](C(=O)OC(C)(C)C)C2)C1 ZINC000536960846 330384274 /nfs/dbraw/zinc/38/42/74/330384274.db2.gz UEYACEUEEIQLQV-MGPQQGTHSA-N 1 0 282.428 2.038 10 0 CEAERO CC(C)C[NH2+]Cc1cnn(CCOCC(F)(F)F)c1 ZINC000054720383 519748262 /nfs/dbraw/zinc/74/82/62/519748262.db2.gz XZVYPETXDPZGMQ-UHFFFAOYSA-N 1 0 279.306 2.208 10 0 CEAERO CC(C)C[C@@H](CN(C)C)[NH2+]C[C@H](O)c1cccs1 ZINC000049555645 519776099 /nfs/dbraw/zinc/77/60/99/519776099.db2.gz PIVAZVCTENNDHV-STQMWFEESA-N 1 0 270.442 2.347 10 0 CEAERO CC(C)[C@@H](CN(C)C)[NH2+]C[C@H](O)c1c(F)cccc1F ZINC000049204772 519793514 /nfs/dbraw/zinc/79/35/14/519793514.db2.gz LOXLIKSHYGKKEU-KGLIPLIRSA-N 1 0 286.366 2.174 10 0 CEAERO CCC1CC[NH+]([C@H](C)C[C@](C)([NH2+]C2CC2)C(=O)[O-])CC1 ZINC000068638252 519859568 /nfs/dbraw/zinc/85/95/68/519859568.db2.gz OQBIBDMGWHNFAI-WBMJQRKESA-N 1 0 282.428 2.482 10 0 CEAERO CCCC1CC[NH+](CC[C@H](NCC)C(=O)OCC)CC1 ZINC000062531025 519901689 /nfs/dbraw/zinc/90/16/89/519901689.db2.gz MJJUMSDFBDDYMI-HNNXBMFYSA-N 1 0 284.444 2.430 10 0 CEAERO CC[NH2+]CCC(=O)N(C)CCOc1cccc(Cl)c1 ZINC000061294369 519915307 /nfs/dbraw/zinc/91/53/07/519915307.db2.gz SBGPRLJVVFFUDO-UHFFFAOYSA-N 1 0 284.787 2.177 10 0 CEAERO CC[NH2+]CCC(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000061294030 519915309 /nfs/dbraw/zinc/91/53/09/519915309.db2.gz UVVHPFCXHCIPAD-UHFFFAOYSA-N 1 0 284.787 2.177 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000061231454 519938980 /nfs/dbraw/zinc/93/89/80/519938980.db2.gz VKLBDAUHUGZOHJ-MRVPVSSYSA-N 1 0 284.743 2.253 10 0 CEAERO CC[NH2+]C[C@@H]1CC[C@@H](Cn2nc(C)c(Cl)c2C)O1 ZINC000052573961 519952973 /nfs/dbraw/zinc/95/29/73/519952973.db2.gz QLENDRQGGNQNMM-RYUDHWBXSA-N 1 0 271.792 2.310 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N[C@@H](C)Cc1ccsc1 ZINC000061267732 519962737 /nfs/dbraw/zinc/96/27/37/519962737.db2.gz QPRZOXBFNMZDFW-QWRGUYRKSA-N 1 0 254.399 2.041 10 0 CEAERO CCC[NH2+]Cc1cnc(N(CC)CCOC)s1 ZINC000054908241 519961189 /nfs/dbraw/zinc/96/11/89/519961189.db2.gz YSNRMNYMXFOJGJ-UHFFFAOYSA-N 1 0 257.403 2.115 10 0 CEAERO CC[NH2+]C[C@H]1CC[C@@H](COc2ccccc2OC)O1 ZINC000052675336 519980010 /nfs/dbraw/zinc/98/00/10/519980010.db2.gz WFIOUPTUQUOOTJ-OLZOCXBDSA-N 1 0 265.353 2.231 10 0 CEAERO CCC[NH2+]Cc1sc(N2CCO[C@H](C)C2)nc1CC ZINC000054995743 519975826 /nfs/dbraw/zinc/97/58/26/519975826.db2.gz AMQQTSSTJQCGPC-LLVKDONJSA-N 1 0 283.441 2.430 10 0 CEAERO CC[NH2+]Cc1cc(C)nc(Cc2nc(C)cs2)n1 ZINC000055269943 519986886 /nfs/dbraw/zinc/98/68/86/519986886.db2.gz IASHDEKZVAZVPL-UHFFFAOYSA-N 1 0 262.382 2.250 10 0 CEAERO CCOCCOC[C@@H](O)C[NH2+][C@H](CC)c1cccs1 ZINC000049530380 519997462 /nfs/dbraw/zinc/99/74/62/519997462.db2.gz XVGATWFVJPRAAN-QWHCGFSZSA-N 1 0 287.425 2.203 10 0 CEAERO CC[NH2+]Cc1cccnc1-n1cc(Br)cn1 ZINC000051492965 520010157 /nfs/dbraw/zinc/01/01/57/520010157.db2.gz PPNGWPRJIDWEBH-UHFFFAOYSA-N 1 0 281.157 2.139 10 0 CEAERO CC[NH2+]Cc1cnc(N2CCC(OCC)CC2)s1 ZINC000054905814 520016346 /nfs/dbraw/zinc/01/63/46/520016346.db2.gz GQSHYEFHAQKDAE-UHFFFAOYSA-N 1 0 269.414 2.258 10 0 CEAERO CC[NH2+]Cc1sc(N(C)CCCOC)nc1CC ZINC000062037828 520032270 /nfs/dbraw/zinc/03/22/70/520032270.db2.gz GTMSTNGEAOYJMT-UHFFFAOYSA-N 1 0 271.430 2.288 10 0 CEAERO CCC[NH2+][C@@](C)(CCSc1ccc(OC)cc1)C(N)=O ZINC000045559436 520035829 /nfs/dbraw/zinc/03/58/29/520035829.db2.gz GJIJITAONILNTN-HNNXBMFYSA-N 1 0 296.436 2.421 10 0 CEAERO CCC[NH2+][C@@](C)(CCO[C@@H]1CCCC[C@@H]1C)C(N)=O ZINC000045477701 520036164 /nfs/dbraw/zinc/03/61/64/520036164.db2.gz IYXBLBCKFGLDDH-GUTXKFCHSA-N 1 0 270.417 2.215 10 0 CEAERO CC[NH2+][C@@H](CC)c1ccccc1OCCC(=O)NC ZINC000051757100 520082995 /nfs/dbraw/zinc/08/29/95/520082995.db2.gz NNTIQTNVEFOSLL-ZDUSSCGKSA-N 1 0 264.369 2.262 10 0 CEAERO CCC[NH2+][C@H](Cc1cc(C)ccc1C)CS(C)(=O)=O ZINC000052789230 520086794 /nfs/dbraw/zinc/08/67/94/520086794.db2.gz MZAXCDIJUOKQIE-OAHLLOKOSA-N 1 0 283.437 2.259 10 0 CEAERO CCCCC[N@H+](C)C[C@](NC(C)C)(C(=O)OC)C1CC1 ZINC000069098397 520153264 /nfs/dbraw/zinc/15/32/64/520153264.db2.gz HCSRVMCSWLOKOV-MRXNPFEDSA-N 1 0 284.444 2.428 10 0 CEAERO CC[NH2+][C@H]1CCC[C@H]1CN(C)Cc1cscn1 ZINC000053871101 520215440 /nfs/dbraw/zinc/21/54/40/520215440.db2.gz BLYOMCKGFJQMMR-AAEUAGOBSA-N 1 0 253.415 2.353 10 0 CEAERO CC[NH+](CC)C[C@@H](C)NCc1nccn1C(F)F ZINC000045705794 520719409 /nfs/dbraw/zinc/71/94/09/520719409.db2.gz PQGDAOKCQWIVAV-SNVBAGLBSA-N 1 0 260.332 2.098 10 0 CEAERO CC[N@H+](CC[C@@H]([NH2+]C(C)C)C(=O)[O-])C1CCCC1 ZINC000062448526 521155443 /nfs/dbraw/zinc/15/54/43/521155443.db2.gz QVZQCQLYFGYKFM-CYBMUJFWSA-N 1 0 256.390 2.092 10 0 CEAERO CCN(c1cc(Cl)ccc1C(N)=[NH2+])[C@@H](C)COC ZINC000062788942 521478542 /nfs/dbraw/zinc/47/85/42/521478542.db2.gz AHPCXRCPMGDJHO-VIFPVBQESA-N 1 0 269.776 2.485 10 0 CEAERO CCCN(CC(=O)N(C)C)c1ccc(Cl)cc1C[NH3+] ZINC000052857345 521531680 /nfs/dbraw/zinc/53/16/80/521531680.db2.gz IFBZPJPSZQTQIO-UHFFFAOYSA-N 1 0 283.803 2.103 10 0 CEAERO CCCc1nc(N2CCC[C@@H]2C[NH+](C)C)sc1CO ZINC000061655630 521532428 /nfs/dbraw/zinc/53/24/28/521532428.db2.gz BIAVEGMPCCXPRV-LLVKDONJSA-N 1 0 283.441 2.118 10 0 CEAERO CCCn1cccc1C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000063192777 521658368 /nfs/dbraw/zinc/65/83/68/521658368.db2.gz SQJBOEGWQTUGMH-OLZOCXBDSA-N 1 0 263.385 2.240 10 0 CEAERO CCCn1ccnc(N[C@H](CC(C)C)C[NH+](C)C)c1=O ZINC000061765414 521661091 /nfs/dbraw/zinc/66/10/91/521661091.db2.gz OGLBQTGGNXTTQH-CYBMUJFWSA-N 1 0 280.416 2.042 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N[C@H](C)c1ccccc1OC(F)F ZINC000061316264 521938957 /nfs/dbraw/zinc/93/89/57/521938957.db2.gz IMDRDPZYHNROIN-SECBINFHSA-N 1 0 286.322 2.463 10 0 CEAERO C[NH2+]C[C@H](Cc1cnn(C)c1)Cc1cccc(F)c1 ZINC000052976946 522074166 /nfs/dbraw/zinc/07/41/66/522074166.db2.gz ABIGCTMWSPPTIP-ZDUSSCGKSA-N 1 0 261.344 2.180 10 0 CEAERO C[NH2+][C@@H](C)c1cnc(Cc2csc(C)n2)nc1C ZINC000055296863 522337651 /nfs/dbraw/zinc/33/76/51/522337651.db2.gz UXHHLEIKHISUJG-QMMMGPOBSA-N 1 0 262.382 2.421 10 0 CEAERO C[NH2+][C@H](C)c1ccc(F)cc1OC[C@@H](O)C(F)(F)F ZINC000068877984 522446516 /nfs/dbraw/zinc/44/65/16/522446516.db2.gz FISPPVBKMPFHDI-RDDDGLTNSA-N 1 0 281.249 2.408 10 0 CEAERO C[NH2+][C@H](C)c1sc(N2C[C@H](C)O[C@@H](C)C2)nc1C ZINC000054900437 522456832 /nfs/dbraw/zinc/45/68/32/522456832.db2.gz ZPUKXKFUCHNDCE-LPEHRKFASA-N 1 0 269.414 2.346 10 0 CEAERO CCc1ccsc1C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000070119964 517855482 /nfs/dbraw/zinc/85/54/82/517855482.db2.gz CZJYBQFDSIBZMZ-NSHDSACASA-N 1 0 252.383 2.182 10 0 CEAERO C[C@@H]1CC[C@H](C(=O)N(C)Cc2ccccc2F)C[NH2+]1 ZINC000048874353 518179688 /nfs/dbraw/zinc/17/96/88/518179688.db2.gz RZDQHHOPKKFLER-NEPJUHHUSA-N 1 0 264.344 2.172 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1N1C(=O)c2cc(F)c(F)cc2C1=O ZINC000089109182 518197449 /nfs/dbraw/zinc/19/74/49/518197449.db2.gz OGFAGFTWIIPYAG-SDBXPKJASA-N 1 0 294.301 2.078 10 0 CEAERO Brc1cnn(CCCC[NH2+]C2CC2)c1 ZINC000052577410 518235906 /nfs/dbraw/zinc/23/59/06/518235906.db2.gz KVEVNBKPPGZMDH-UHFFFAOYSA-N 1 0 258.163 2.178 10 0 CEAERO CC(=O)c1cccc(NC(=O)C[C@H]2CCC[NH2+]C2)c1 ZINC000054308865 518430881 /nfs/dbraw/zinc/43/08/81/518430881.db2.gz JOGIOBSHGDKLFI-GFCCVEGCSA-N 1 0 260.337 2.217 10 0 CEAERO CC(C)(C)NC(=O)[C@H](C[NH3+])Cc1cccc2cccnc21 ZINC000069500510 518747784 /nfs/dbraw/zinc/74/77/84/518747784.db2.gz LJJRXZPVACVSCK-AWEZNQCLSA-N 1 0 285.391 2.267 10 0 CEAERO CC(C)(C[NH3+])C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000062995971 519232102 /nfs/dbraw/zinc/23/21/02/519232102.db2.gz TWYTVHUSYALNJS-UHFFFAOYSA-N 1 0 261.369 2.210 10 0 CEAERO CC(C)C[C@@H]1C[NH2+]CCN1CCOc1ccccc1 ZINC000062660475 519274510 /nfs/dbraw/zinc/27/45/10/519274510.db2.gz LHCRLOCBYDGMOH-OAHLLOKOSA-N 1 0 262.397 2.385 10 0 CEAERO CC(C)C[C@H](CN(C)C)[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000049555668 519339388 /nfs/dbraw/zinc/33/93/88/519339388.db2.gz HREHBKGDEZEKLX-CVEARBPZSA-N 1 0 282.403 2.425 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NCc1ncc(Cl)n1C ZINC000049555915 519343109 /nfs/dbraw/zinc/34/31/09/519343109.db2.gz YUVPRPBOHOKCAZ-LLVKDONJSA-N 1 0 272.824 2.139 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)Nc1cc(C(N)=S)ccn1 ZINC000049560088 519343458 /nfs/dbraw/zinc/34/34/58/519343458.db2.gz UNIOOTGAATUSOK-GFCCVEGCSA-N 1 0 280.441 2.104 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)Nc1nnnn1-c1ccccc1 ZINC000049558262 519344133 /nfs/dbraw/zinc/34/41/33/519344133.db2.gz MEGLGLJGTDTFDH-CYBMUJFWSA-N 1 0 288.399 2.051 10 0 CEAERO CC(C)C1CCC([NH2+][C@@]2(C)CCS(=O)(=O)C2)CC1 ZINC000054555071 519567088 /nfs/dbraw/zinc/56/70/88/519567088.db2.gz NSWUYBFOHOCRRX-RUXDESIVSA-N 1 0 273.442 2.368 10 0 CEAERO CC(C)N(CC(F)(F)F)C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055089498 519638512 /nfs/dbraw/zinc/63/85/12/519638512.db2.gz STTAIXBWAKHNHC-ZJUUUORDSA-N 1 0 266.307 2.303 10 0 CEAERO CC(C)[N@H+](CCO)Cc1cc2ccccc2nc1N ZINC000050817909 519649367 /nfs/dbraw/zinc/64/93/67/519649367.db2.gz YLGNFBJIQAKZHK-UHFFFAOYSA-N 1 0 259.353 2.020 10 0 CEAERO CC(C)N(Cc1ccccc1)C(=O)c1cc[nH+]c(NN)c1 ZINC000051088783 519658235 /nfs/dbraw/zinc/65/82/35/519658235.db2.gz VIUATCQWLNCOBF-UHFFFAOYSA-N 1 0 284.363 2.418 10 0 CEAERO CC(C)CCOCCOc1cccc(C(N)=[NH2+])c1 ZINC000049266292 519669256 /nfs/dbraw/zinc/66/92/56/519669256.db2.gz QZLOBQHYHKUOLF-UHFFFAOYSA-N 1 0 250.342 2.412 10 0 CEAERO CC(=O)Nc1ccc(C[NH2+][C@H](CN(C)C)C(C)C)cc1 ZINC000049195311 519717871 /nfs/dbraw/zinc/71/78/71/519717871.db2.gz UGSAPSGUUMSYRX-MRXNPFEDSA-N 1 0 277.412 2.321 10 0 CEAERO CC(C)[NH2+]CCCCn1cnc2ccsc2c1=O ZINC000053529366 519720467 /nfs/dbraw/zinc/72/04/67/519720467.db2.gz VEUYJSXYSHZASD-UHFFFAOYSA-N 1 0 265.382 2.236 10 0 CEAERO CC(C)[NH2+]CCN(C)Cc1cnn(-c2ccccc2)c1 ZINC000181269428 519721315 /nfs/dbraw/zinc/72/13/15/519721315.db2.gz ABOQUMNIEXPQJS-UHFFFAOYSA-N 1 0 272.396 2.302 10 0 CEAERO CC(C)[NH2+]CCNC(=O)c1cccc(OC(C)C)c1 ZINC000061666849 519721895 /nfs/dbraw/zinc/72/18/95/519721895.db2.gz KUTUSVGSOXMQGH-UHFFFAOYSA-N 1 0 264.369 2.202 10 0 CEAERO CC(C)[NH2+]C[C@H](Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000052951210 519724903 /nfs/dbraw/zinc/72/49/03/519724903.db2.gz HJBKZCALYIRYST-CVEARBPZSA-N 1 0 295.448 2.278 10 0 CEAERO CC(C)[NH2+]C[C@H]1CCCN(c2ncnc3c2CCC3)C1 ZINC000061278315 519725098 /nfs/dbraw/zinc/72/50/98/519725098.db2.gz DEKZSWVMGFTNBK-CYBMUJFWSA-N 1 0 274.412 2.180 10 0 CEAERO CC(C)[NH2+]C[C@H]1CC[C@@H](CN(C)CC(F)(F)F)O1 ZINC000052483394 519725179 /nfs/dbraw/zinc/72/51/79/519725179.db2.gz HWUZGPBPIWIOGZ-MNOVXSKESA-N 1 0 268.323 2.026 10 0 CEAERO CC(C)C[NH+]1CCN(C[C@H]2CNc3ccccc3O2)CC1 ZINC000055083632 519726629 /nfs/dbraw/zinc/72/66/29/519726629.db2.gz DGICPZJYLIPNOP-OAHLLOKOSA-N 1 0 289.423 2.133 10 0 CEAERO CC(C)[NH2+]Cc1nnnn1-c1cccc(C(C)C)c1 ZINC000054744360 519729651 /nfs/dbraw/zinc/72/96/51/519729651.db2.gz IZUSEQMDBLLDNM-UHFFFAOYSA-N 1 0 259.357 2.284 10 0 CEAERO CC(C)[NH2+][C@@H](CCO[C@H]1CCCc2ccccc21)C(N)=O ZINC000062544550 519734765 /nfs/dbraw/zinc/73/47/65/519734765.db2.gz FAENNNWEIKRMLF-HOTGVXAUSA-N 1 0 290.407 2.323 10 0 CEAERO CC(C)[NH2+][C@@H](COc1ccc2ccccc2c1)C(N)=O ZINC000045519483 519735430 /nfs/dbraw/zinc/73/54/30/519735430.db2.gz IHKMGSHMQOPTGC-HNNXBMFYSA-N 1 0 272.348 2.071 10 0 CEAERO CC(C)[NH2+][C@H](CC[N@H+](C)C1CCCCC1)C(=O)[O-] ZINC000062442994 519737945 /nfs/dbraw/zinc/73/79/45/519737945.db2.gz IBMFECXPPJCHEJ-CYBMUJFWSA-N 1 0 256.390 2.092 10 0 CEAERO CC(C)C[NH2+]CCCCn1cnc2ccccc2c1=O ZINC000053525923 519743394 /nfs/dbraw/zinc/74/33/94/519743394.db2.gz OKYXDPIONZTGBO-UHFFFAOYSA-N 1 0 273.380 2.422 10 0 CEAERO CC(C)C[NH2+]Cc1cnn(C[C@H]2CCCCO2)c1 ZINC000054720330 519748577 /nfs/dbraw/zinc/74/85/77/519748577.db2.gz CJIHAWJEWZQTGX-CQSZACIVSA-N 1 0 251.374 2.198 10 0 CEAERO CC(C)C[NH2+]Cc1nnnn1C[C@H]1CCCC[C@@H]1C ZINC000054746965 519748778 /nfs/dbraw/zinc/74/87/78/519748778.db2.gz JTJKSRGLVFUCSW-QWHCGFSZSA-N 1 0 265.405 2.245 10 0 CEAERO CC(C)OCCOC[C@@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000052627603 519768636 /nfs/dbraw/zinc/76/86/36/519768636.db2.gz AFEYIHQCZXXSLG-KBPBESRZSA-N 1 0 273.417 2.364 10 0 CEAERO CC(C)OCCOCc1occc1C[NH2+]C1CC1 ZINC000052627245 519768900 /nfs/dbraw/zinc/76/89/00/519768900.db2.gz ZXFPJNPYVIDEQD-UHFFFAOYSA-N 1 0 253.342 2.473 10 0 CEAERO CC(C)[C@@H](C[NH+](C)C)N1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054601166 519793231 /nfs/dbraw/zinc/79/32/31/519793231.db2.gz FBRHDKXILJQAMG-VNHYZAJKSA-N 1 0 252.402 2.159 10 0 CEAERO CC(C)[C@@H]1CN(CCOc2ccccc2)CCC[NH2+]1 ZINC000062660565 519804382 /nfs/dbraw/zinc/80/43/82/519804382.db2.gz ICSRTQWIVIXSDJ-INIZCTEOSA-N 1 0 262.397 2.385 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@@H](C(C)C)CN1C[C@@H]1CCCO1 ZINC000062625514 519804801 /nfs/dbraw/zinc/80/48/01/519804801.db2.gz XEWDXRVZFGXOCG-ZNMIVQPWSA-N 1 0 254.418 2.120 10 0 CEAERO CCC[NH+]1CCC(NC(=O)c2cccnc2NCC)CC1 ZINC000050790058 519846347 /nfs/dbraw/zinc/84/63/47/519846347.db2.gz IMWBKPTUQXJLFW-UHFFFAOYSA-N 1 0 290.411 2.118 10 0 CEAERO CCC[NH+]1CCC(n2c3ccc(N)cc3nc2CO)CC1 ZINC000053737496 519848280 /nfs/dbraw/zinc/84/82/80/519848280.db2.gz IVSVXTRDQRCWRZ-UHFFFAOYSA-N 1 0 288.395 2.158 10 0 CEAERO CCC[NH+]1CCN(Cc2ccc(Cl)cc2N)CC1 ZINC000050442835 519859253 /nfs/dbraw/zinc/85/92/53/519859253.db2.gz MHKYSSOEXQEMTI-UHFFFAOYSA-N 1 0 267.804 2.450 10 0 CEAERO CCC[NH+]1CCN(c2nc3c(s2)[C@H](O)CCC3)CC1 ZINC000054910156 519860687 /nfs/dbraw/zinc/86/06/87/519860687.db2.gz ZSAXFKDPRJPIMI-GFCCVEGCSA-N 1 0 281.425 2.045 10 0 CEAERO CCCN1CCO[C@H](C[NH3+])[C@@H]1c1ccc(C)c(F)c1 ZINC000070288174 519861155 /nfs/dbraw/zinc/86/11/55/519861155.db2.gz DTYVFKNFJPQXBY-CABCVRRESA-N 1 0 266.360 2.245 10 0 CEAERO CCCC1CCN([C@@H]2CC3(CC[C@H]2[NH2+]C)OCCO3)CC1 ZINC000050893619 519903471 /nfs/dbraw/zinc/90/34/71/519903471.db2.gz 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ZINC000061665357 520076671 /nfs/dbraw/zinc/07/66/71/520076671.db2.gz RLPXGKKIHQZOGG-NSHDSACASA-N 1 0 272.352 2.343 10 0 CEAERO CCC[NH2+][C@H](CCc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000061624476 520080582 /nfs/dbraw/zinc/08/05/82/520080582.db2.gz VWAGDJHGCQZIGZ-JKSUJKDBSA-N 1 0 295.448 2.422 10 0 CEAERO CCC[NH2+][C@H](CN1CCN(C)C1=O)c1ccc(C)cc1 ZINC000052885566 520081957 /nfs/dbraw/zinc/08/19/57/520081957.db2.gz SFNDDIBDEDUQNO-OAHLLOKOSA-N 1 0 275.396 2.403 10 0 CEAERO CC[NH2+][C@@H](CCOc1ccc(C(C)C)cc1)C(N)=O ZINC000062547888 520090004 /nfs/dbraw/zinc/09/00/04/520090004.db2.gz IWPZIAKBKAAENU-AWEZNQCLSA-N 1 0 264.369 2.042 10 0 CEAERO CCC[NH2+][C@H](c1ccc2c(c1)C[C@H](C)O2)[C@@H]1COCCO1 ZINC000055300725 520091429 /nfs/dbraw/zinc/09/14/29/520091429.db2.gz XIOYMDSPUHWMAY-AFAVFJNCSA-N 1 0 291.391 2.466 10 0 CEAERO CC[NH2+][C@@H](CCOC)c1cc(OC)ccc1OC ZINC000055234714 520091671 /nfs/dbraw/zinc/09/16/71/520091671.db2.gz IRIOYAMYQXFQRC-ZDUSSCGKSA-N 1 0 253.342 2.391 10 0 CEAERO CCC[NH2+][C@H]1CCC[C@@H]1S(=O)(=O)c1ccccc1 ZINC000061702879 520092087 /nfs/dbraw/zinc/09/20/87/520092087.db2.gz YKWHKASWZBPRCJ-KBPBESRZSA-N 1 0 267.394 2.381 10 0 CEAERO CCC[NH2+][C@H]1CCN(c2ccc3ncccc3c2)C1=O ZINC000054108244 520096889 /nfs/dbraw/zinc/09/68/89/520096889.db2.gz AOZCULFQKZNZRB-HNNXBMFYSA-N 1 0 269.348 2.340 10 0 CEAERO CC[NH2+][C@@H](CCc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000061624467 520097188 /nfs/dbraw/zinc/09/71/88/520097188.db2.gz RJKDXUWGOBOVQE-GJZGRUSLSA-N 1 0 281.421 2.032 10 0 CEAERO CC[NH2+][C@@H](Cc1ccc(OC)c(OC)c1)c1ccnn1C ZINC000069467522 520103327 /nfs/dbraw/zinc/10/33/27/520103327.db2.gz FVFWPSGZKPPPLN-ZDUSSCGKSA-N 1 0 289.379 2.331 10 0 CEAERO CC[NH2+][C@@H](c1ccc2c(c1)CC(=O)N2)[C@H]1CCCCO1 ZINC000050962131 520111135 /nfs/dbraw/zinc/11/11/35/520111135.db2.gz TZMUTZUQRWOTHJ-ZBFHGGJFSA-N 1 0 274.364 2.401 10 0 CEAERO CCC[NH2+][C@](C)(C[C@@H](C)Oc1ccc(F)cc1)C(N)=O ZINC000068656483 520112542 /nfs/dbraw/zinc/11/25/42/520112542.db2.gz OUAADLNYSGIRGB-IAQYHMDHSA-N 1 0 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ZINC000061667245 520438505 /nfs/dbraw/zinc/43/85/05/520438505.db2.gz NQOHENYTOSMHTJ-GFCCVEGCSA-N 1 0 264.369 2.142 10 0 CEAERO CCCOc1cccc(C[C@@H](C[NH3+])C(=O)OCC)c1 ZINC000052920845 520455939 /nfs/dbraw/zinc/45/59/39/520455939.db2.gz JUODGRUIXBVZKO-ZDUSSCGKSA-N 1 0 265.353 2.156 10 0 CEAERO CC1(C)CN([C@H](C[NH3+])c2cccc3cccnc32)CCO1 ZINC000069502519 520491301 /nfs/dbraw/zinc/49/13/01/520491301.db2.gz LMCLZMSROXITIA-OAHLLOKOSA-N 1 0 285.391 2.345 10 0 CEAERO CCO[C@H](C[NH3+])CN1c2cccc3cccc(c23)C1=O ZINC000062740041 520517840 /nfs/dbraw/zinc/51/78/40/520517840.db2.gz CNJWFVHXARXRRB-GFCCVEGCSA-N 1 0 270.332 2.164 10 0 CEAERO CCCC[N@H+](CC[C@H](NCC)C(=O)OC)[C@@H](C)CC ZINC000062527666 520538047 /nfs/dbraw/zinc/53/80/47/520538047.db2.gz DREDQVKVWWEYLD-KBPBESRZSA-N 1 0 272.433 2.428 10 0 CEAERO CC[NH+](CC)C1CCN(C(=O)Cc2cccc(N)c2)CC1 ZINC000052923266 520569223 /nfs/dbraw/zinc/56/92/23/520569223.db2.gz RSHTUHNRGUBRSK-UHFFFAOYSA-N 1 0 289.423 2.144 10 0 CEAERO CC1(C)Cc2cccc(OCc3cc(C[NH3+])no3)c2O1 ZINC000052654393 520585220 /nfs/dbraw/zinc/58/52/20/520585220.db2.gz OHMORNINHOLRKC-UHFFFAOYSA-N 1 0 274.320 2.426 10 0 CEAERO CCOc1cc(C[NH2+]CCOC)ccc1OCC(F)F ZINC000062731206 520716459 /nfs/dbraw/zinc/71/64/59/520716459.db2.gz AZIQPNFNSVHTMO-UHFFFAOYSA-N 1 0 289.322 2.465 10 0 CEAERO CCOc1cc([C@@H](O)[C@@H]([NH3+])CC(C)C)ccc1O ZINC000054929462 520772259 /nfs/dbraw/zinc/77/22/59/520772259.db2.gz DYJJOIUYLBZUDF-SMDDNHRTSA-N 1 0 253.342 2.198 10 0 CEAERO CCC[C@@H](NC[C@H](O)C[NH+]1CCCCC1)c1cccnc1 ZINC000185114731 520777849 /nfs/dbraw/zinc/77/78/49/520777849.db2.gz JPMHBXSEJLWROR-DLBZAZTESA-N 1 0 291.439 2.359 10 0 CEAERO CCCCOCCNC(=O)[C@H]1CCC[C@@H](CC[NH3+])C1 ZINC000055162049 520778783 /nfs/dbraw/zinc/77/87/83/520778783.db2.gz OYMGTWSBYSCDRB-KBPBESRZSA-N 1 0 270.417 2.075 10 0 CEAERO CCC[C@@H]1CN(CCn2cccn2)C2(CCCC2)C[NH2+]1 ZINC000068702241 520839634 /nfs/dbraw/zinc/83/96/34/520839634.db2.gz WLMONSXJKKMZKD-OAHLLOKOSA-N 1 0 276.428 2.270 10 0 CEAERO CCC[C@@H]1CN[C@H](C(C)C)C[N@@H+]1CCCn1ccnc1 ZINC000068695474 520845142 /nfs/dbraw/zinc/84/51/42/520845142.db2.gz NFKOSABASSMIGE-CVEARBPZSA-N 1 0 278.444 2.372 10 0 CEAERO CC[NH+](CC)[C@@H]1CCN(Cc2ccc(C(N)=S)cc2)C1 ZINC000062980058 520845948 /nfs/dbraw/zinc/84/59/48/520845948.db2.gz XYUIHAHXKNRFSB-OAHLLOKOSA-N 1 0 291.464 2.237 10 0 CEAERO CC[NH+](CC)[C@H]1CCN(c2nc(C3CC3)c(CO)s2)C1 ZINC000069183303 520875382 /nfs/dbraw/zinc/87/53/82/520875382.db2.gz RGDZUXAWIPLQQK-LBPRGKRZSA-N 1 0 295.452 2.433 10 0 CEAERO CCN(CC)c1c(C[NH2+]CC(C)C)c(C)nn1C ZINC000062734119 520875707 /nfs/dbraw/zinc/87/57/07/520875707.db2.gz WKXYUTNCXWSOEG-UHFFFAOYSA-N 1 0 252.406 2.320 10 0 CEAERO CCC[C@@]1(C(=O)N2C[C@H](C)C[C@H](C)C2)CC[NH2+]C1 ZINC000062889440 520941772 /nfs/dbraw/zinc/94/17/72/520941772.db2.gz JURIECGOPHZIBC-VNHYZAJKSA-N 1 0 252.402 2.271 10 0 CEAERO CCC[C@@]1(C(=O)N2Cc3ccccc3C2)CC[NH2+]C1 ZINC000062903529 520943347 /nfs/dbraw/zinc/94/33/47/520943347.db2.gz MRGOTFZUJKJZQH-MRXNPFEDSA-N 1 0 258.365 2.309 10 0 CEAERO CCCC[C@@H](C)NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000050889133 521004866 /nfs/dbraw/zinc/00/48/66/521004866.db2.gz WJAUQDCCYBHXHY-DOMZBBRYSA-N 1 0 260.381 2.396 10 0 CEAERO CCCC[C@@H](C)[NH2+][C@@H]1CC(=O)N(C(CC)CC)C1=O ZINC000050887995 521012075 /nfs/dbraw/zinc/01/20/75/521012075.db2.gz CGKKKVGSWKSQDM-DGCLKSJQSA-N 1 0 268.401 2.471 10 0 CEAERO CCOC(=O)[C@@H](C)Oc1cccc2c1CC[C@@H]2[NH2+]C ZINC000062799020 521034388 /nfs/dbraw/zinc/03/43/88/521034388.db2.gz XZBMVLMCQGGNLT-MFKMUULPSA-N 1 0 263.337 2.224 10 0 CEAERO CC[N@H+](CCC[C@](C)([NH2+]C1CC1)C(=O)[O-])CC1CC1 ZINC000069239441 521043064 /nfs/dbraw/zinc/04/30/64/521043064.db2.gz VAOKCYUQXOUBGW-HNNXBMFYSA-N 1 0 268.401 2.094 10 0 CEAERO CCN(CC[C@](C)([NH2+]C(C)C)C(N)=O)c1ccc(F)cc1 ZINC000050012882 521161379 /nfs/dbraw/zinc/16/13/79/521161379.db2.gz OTRVGOOQNKJYEU-INIZCTEOSA-N 1 0 295.402 2.284 10 0 CEAERO CCOC(=O)[C@@](C[N@H+](C)C[C@@H]1C[C@@H]1C)(NC(C)C)C1CC1 ZINC000069233511 521164750 /nfs/dbraw/zinc/16/47/50/521164750.db2.gz LFIWANCBBKYSLS-ZQIUZPCESA-N 1 0 296.455 2.284 10 0 CEAERO CCC[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)c1cccs1 ZINC000049544521 521168310 /nfs/dbraw/zinc/16/83/10/521168310.db2.gz DGNXTUHJYJXUBS-UWVGGRQHSA-N 1 0 283.397 2.023 10 0 CEAERO CCOc1ccc(OC[C@H]2CC[C@@H](C[NH2+]C)O2)cc1 ZINC000052652420 521178051 /nfs/dbraw/zinc/17/80/51/521178051.db2.gz HTWVSHRGFOWULI-LSDHHAIUSA-N 1 0 265.353 2.231 10 0 CEAERO CCN(C[C@@H](C)C[NH3+])C(=O)c1ccc2ncccc2c1 ZINC000061410496 521200783 /nfs/dbraw/zinc/20/07/83/521200783.db2.gz ZFZHECYWNNEQIW-LBPRGKRZSA-N 1 0 271.364 2.292 10 0 CEAERO CCOC(=O)[C@H](C)Oc1cc(F)ccc1[C@H](C)[NH3+] ZINC000062745299 521217271 /nfs/dbraw/zinc/21/72/71/521217271.db2.gz LUUTVVPYSMZDHY-IUCAKERBSA-N 1 0 255.289 2.176 10 0 CEAERO CCOC(=O)[C@H](C)Oc1cccc2c1CC[C@H]2[NH2+]C ZINC000062799023 521217487 /nfs/dbraw/zinc/21/74/87/521217487.db2.gz XZBMVLMCQGGNLT-GXFFZTMASA-N 1 0 263.337 2.224 10 0 CEAERO CCN(C[C@H]([NH2+]C)c1ccc2c(c1)OCO2)CC1CC1 ZINC000069238050 521259981 /nfs/dbraw/zinc/25/99/81/521259981.db2.gz SYTGFVHLQQARKU-AWEZNQCLSA-N 1 0 276.380 2.408 10 0 CEAERO CC[N@H+](C[C@H](O)Cn1nc(C)c(N)c1C)C1CCCCC1 ZINC000069367821 521261333 /nfs/dbraw/zinc/26/13/33/521261333.db2.gz DUJSXKCDGOQVMY-HNNXBMFYSA-N 1 0 294.443 2.098 10 0 CEAERO CCC[C@]1(C(=O)N[C@H](C)c2ccccn2)CC[NH2+]C1 ZINC000062890676 521300409 /nfs/dbraw/zinc/30/04/09/521300409.db2.gz NKZMXCNKWKOGKA-DOMZBBRYSA-N 1 0 261.369 2.039 10 0 CEAERO CCOc1cccc(-n2nnc([C@H](C)[NH2+]C)c2C)c1 ZINC000049570221 521315078 /nfs/dbraw/zinc/31/50/78/521315078.db2.gz CLBRXBDGVZQIAX-JTQLQIEISA-N 1 0 260.341 2.255 10 0 CEAERO CCOC(=O)[C@](C)([NH3+])C[C@@H](C)Sc1nc(C)cc(C)n1 ZINC000068640682 521330412 /nfs/dbraw/zinc/33/04/12/521330412.db2.gz SPZNZUKZUTWDKC-BXUZGUMPSA-N 1 0 297.424 2.245 10 0 CEAERO CCOc1cccc(C[NH2+]C)c1OCCCCCO ZINC000051019706 521359381 /nfs/dbraw/zinc/35/93/81/521359381.db2.gz YTXYQTRVCQUPAW-UHFFFAOYSA-N 1 0 267.369 2.346 10 0 CEAERO CCOc1cccc(C[NH2+]CC(C)C)c1OCCC(N)=O ZINC000062732729 521361398 /nfs/dbraw/zinc/36/13/98/521361398.db2.gz FJJRYSJOBZFONQ-UHFFFAOYSA-N 1 0 294.395 2.085 10 0 CEAERO CCC(C)(C)[C@H]1CC[C@H](C[NH3+])[C@H](S(C)(=O)=O)C1 ZINC000068608619 521366832 /nfs/dbraw/zinc/36/68/32/521366832.db2.gz WHKKXEXSQWYPRZ-GRYCIOLGSA-N 1 0 261.431 2.211 10 0 CEAERO CCN(Cc1ccccc1C)C(=O)[C@H](C)C1C[NH2+]C1 ZINC000163895101 521378060 /nfs/dbraw/zinc/37/80/60/521378060.db2.gz CLLIDHGFXVDBSR-CYBMUJFWSA-N 1 0 260.381 2.199 10 0 CEAERO CCN(Cc1ccco1)[C@H](C)C[NH2+]CCCOC ZINC000053497632 521401681 /nfs/dbraw/zinc/40/16/81/521401681.db2.gz USLUJDAKVRRTGF-CYBMUJFWSA-N 1 0 254.374 2.116 10 0 CEAERO CCCN(C(=O)c1ccc(OC)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000061668684 521444046 /nfs/dbraw/zinc/44/40/46/521444046.db2.gz NINRIFOKXGATIY-CYBMUJFWSA-N 1 0 294.370 2.439 10 0 CEAERO CCCN(C(C)(C)C[NH3+])S(=O)(=O)CC1CCCCC1 ZINC000050093371 521453093 /nfs/dbraw/zinc/45/30/93/521453093.db2.gz NROBNEYFTUBJRJ-UHFFFAOYSA-N 1 0 290.473 2.346 10 0 CEAERO CCC(CC)(CO)[NH2+]C[C@@H](O)CO[C@H](C)c1ccccc1 ZINC000053070508 521458238 /nfs/dbraw/zinc/45/82/38/521458238.db2.gz QVEJCJPRDGZVIH-GDBMZVCRSA-N 1 0 295.423 2.266 10 0 CEAERO CCC(CC)(CO)[NH2+]C[C@@H](O)CO[C@@H]1CCCC[C@@H]1C ZINC000053070460 521459305 /nfs/dbraw/zinc/45/93/05/521459305.db2.gz HRVJOLMTDXBIAY-RRFJBIMHSA-N 1 0 287.444 2.083 10 0 CEAERO CCC(CC)[N@H+](CCOC)Cc1cccnc1C(N)=S ZINC000061663568 521559302 /nfs/dbraw/zinc/55/93/02/521559302.db2.gz HJKRTPYBOYJERV-UHFFFAOYSA-N 1 0 295.452 2.353 10 0 CEAERO CCCN(CC(F)(F)F)c1ccnc(C(N)=[NH2+])c1 ZINC000061814308 521586868 /nfs/dbraw/zinc/58/68/68/521586868.db2.gz OPOBNZVWBSXUOV-UHFFFAOYSA-N 1 0 260.263 2.144 10 0 CEAERO CCOc1ccccc1[C@](O)([C@@H](C)[NH3+])C(F)(F)F ZINC000062784686 521592059 /nfs/dbraw/zinc/59/20/59/521592059.db2.gz KOZTTWWKRXAVOS-LDYMZIIASA-N 1 0 263.259 2.182 10 0 CEAERO CCOC(=O)c1nc(CN2[C@H](C)CCC[C@@H]2C[NH3+])cs1 ZINC000070154720 521597637 /nfs/dbraw/zinc/59/76/37/521597637.db2.gz ZVWNGCWEJWYMKL-ZYHUDNBSSA-N 1 0 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ZINC000062807218 522507547 /nfs/dbraw/zinc/50/75/47/522507547.db2.gz ALGPTMMUZGWITK-ZBEGNZNMSA-N 1 0 283.379 2.269 10 0 CEAERO CN[C@](C)(C[C@@H](C)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)OC ZINC000068627105 522520155 /nfs/dbraw/zinc/52/01/55/522520155.db2.gz WWKHUBSYCDAALS-JYYAWHABSA-N 1 0 296.455 2.428 10 0 CEAERO C[NH2+][C@](C)(C[C@H](C)n1cnc2cc(C)c(C)cc21)C(N)=O ZINC000068648740 522525329 /nfs/dbraw/zinc/52/53/29/522525329.db2.gz HZVXDVVRVRMYJH-BLLLJJGKSA-N 1 0 288.395 2.068 10 0 CEAERO CCc1nccn1CCOc1ccc(C[NH2+]C)cc1 ZINC000052593018 522582860 /nfs/dbraw/zinc/58/28/60/522582860.db2.gz HXFIRKMQQHHICJ-UHFFFAOYSA-N 1 0 259.353 2.244 10 0 CEAERO COc1cc(F)c([C@H]([NH3+])[C@@H]2CCCCO2)cc1OC ZINC000061560333 522588712 /nfs/dbraw/zinc/58/87/12/522588712.db2.gz RKTGUYYMOSAZSE-FZMZJTMJSA-N 1 0 269.316 2.412 10 0 CEAERO CNc1ccc(C)cc1C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000053003400 522604808 /nfs/dbraw/zinc/60/48/08/522604808.db2.gz QCFRCFNINPILSG-CYBMUJFWSA-N 1 0 275.396 2.108 10 0 CEAERO COc1cc(F)ccc1NC(=O)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000049570464 522607593 /nfs/dbraw/zinc/60/75/93/522607593.db2.gz TXJDPSYPQZTPOS-VHSXEESVSA-N 1 0 266.316 2.161 10 0 CEAERO CC[C@@H]([NH3+])Cc1c(C)nn(C[C@H]2CCCCO2)c1C ZINC000054741236 522640420 /nfs/dbraw/zinc/64/04/20/522640420.db2.gz ONVFPCPNVDOVNR-ZIAGYGMSSA-N 1 0 265.401 2.349 10 0 CEAERO CC[C@@H](NC(=O)[C@@H]1CCCC[NH2+]1)c1cccs1 ZINC000049532088 522760762 /nfs/dbraw/zinc/76/07/62/522760762.db2.gz KOCSXBYOYPBAIN-MNOVXSKESA-N 1 0 252.383 2.458 10 0 CEAERO CC[C@@H]([NH2+]C1CCN(C(C)=O)CC1)c1ccco1 ZINC000054105729 522809416 /nfs/dbraw/zinc/80/94/16/522809416.db2.gz GPBXSLRNFBBAAG-CYBMUJFWSA-N 1 0 250.342 2.331 10 0 CEAERO CC[C@@H]([NH2+]Cc1ccccc1C(F)(F)F)C(N)=O ZINC000061677395 522882980 /nfs/dbraw/zinc/88/29/80/522882980.db2.gz SZDUBLPWDSMGNU-SNVBAGLBSA-N 1 0 260.259 2.059 10 0 CEAERO COCC1CC[NH+]([C@]2(CN)CCc3ccccc3C2)CC1 ZINC000070080487 522937577 /nfs/dbraw/zinc/93/75/77/522937577.db2.gz AOMOPTNZGQFWIS-GOSISDBHSA-N 1 0 288.435 2.231 10 0 CEAERO CC[C@@H]([NH2+][C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000052336372 522951757 /nfs/dbraw/zinc/95/17/57/522951757.db2.gz DHYUTBNQFCCBBG-QWHCGFSZSA-N 1 0 259.415 2.122 10 0 CEAERO CN(CCc1ccccn1)C[C@@](C)([NH3+])c1ccccc1 ZINC000052883254 522965741 /nfs/dbraw/zinc/96/57/41/522965741.db2.gz BRHLEKBESBDBPE-QGZVFWFLSA-N 1 0 269.392 2.430 10 0 CEAERO CN(CCc1ccncc1)C(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050945423 522973912 /nfs/dbraw/zinc/97/39/12/522973912.db2.gz MQXQGZCUJLZDQH-HNNXBMFYSA-N 1 0 275.396 2.005 10 0 CEAERO Cc1cncc(/C=C/C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000132823513 534675813 /nfs/dbraw/zinc/67/58/13/534675813.db2.gz DEFYEUMYCMDDQB-HMRWBYCRSA-N 1 0 287.407 2.248 10 0 CEAERO CC[C@@H](O)COc1ccc(C[NH2+]C)cc1Br ZINC000062700839 523008959 /nfs/dbraw/zinc/00/89/59/523008959.db2.gz SMZMUCFGMIVSFE-SNVBAGLBSA-N 1 0 288.185 2.318 10 0 CEAERO CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc(C[NH3+])c1 ZINC000049120911 523045387 /nfs/dbraw/zinc/04/53/87/523045387.db2.gz SGPAZWUYOYEKLQ-ZFWWWQNUSA-N 1 0 296.436 2.392 10 0 CEAERO CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000049120928 523063283 /nfs/dbraw/zinc/06/32/83/523063283.db2.gz DNSIXLSEVIKKEU-DZGCQCFKSA-N 1 0 296.436 2.392 10 0 CEAERO CCn1c(=O)[nH]nc1Sc1cccc(F)c1[C@@H](C)[NH2+]C ZINC000061595863 523096377 /nfs/dbraw/zinc/09/63/77/523096377.db2.gz NFWZIMKONNNADR-MRVPVSSYSA-N 1 0 296.371 2.162 10 0 CEAERO COC(=O)CCOc1ccc(C[NH2+]CC(C)C)cc1OC ZINC000069317566 523105010 /nfs/dbraw/zinc/10/50/10/523105010.db2.gz UIQUXBICWJIDIP-UHFFFAOYSA-N 1 0 295.379 2.383 10 0 CEAERO CC[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(C[NH3+])cc2)C1 ZINC000068586413 523120337 /nfs/dbraw/zinc/12/03/37/523120337.db2.gz CXMZEXNLAKQOHL-GXTWGEPZSA-N 1 0 296.436 2.392 10 0 CEAERO COc1ccc(-c2ccnc(N3CCC[C@H]([NH3+])C3)n2)cc1 ZINC000234998592 523139295 /nfs/dbraw/zinc/13/92/95/523139295.db2.gz REFFWVMCXWCUBT-ZDUSSCGKSA-N 1 0 284.363 2.080 10 0 CEAERO COc1ccc(-c2nc([C@H]([NH3+])C3CC3)no2)cc1F ZINC000061669629 523223364 /nfs/dbraw/zinc/22/33/64/523223364.db2.gz DGXNMOQKZDVCCQ-LLVKDONJSA-N 1 0 263.272 2.294 10 0 CEAERO CC[C@@H]1CCCN(C(=O)C2CCC(C[NH3+])CC2)C1 ZINC000055147523 523233168 /nfs/dbraw/zinc/23/31/68/523233168.db2.gz CPLCXNPMYIOLMN-IYXRBSQSSA-N 1 0 252.402 2.400 10 0 CEAERO COCCCN(C)c1ncccc1C[NH2+]C(C)C ZINC000062035866 523234766 /nfs/dbraw/zinc/23/47/66/523234766.db2.gz RZLSJEUPSBAPKT-UHFFFAOYSA-N 1 0 251.374 2.052 10 0 CEAERO CCn1c(S[C@@H](c2ccc(C)cc2)[C@H](C)[NH3+])n[nH]c1=O ZINC000061594182 523244288 /nfs/dbraw/zinc/24/42/88/523244288.db2.gz ZZXBRAIMDQFPAF-CMPLNLGQSA-N 1 0 292.408 2.080 10 0 CEAERO COc1ccc(-c2noc(C[C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000054301386 523296198 /nfs/dbraw/zinc/29/61/98/523296198.db2.gz ZOWXKUMTVLCKFI-NSHDSACASA-N 1 0 273.336 2.287 10 0 CEAERO CN(Cc1cccc(C[NH3+])c1)C(=O)Cc1cccc(O)c1 ZINC000048814701 523300979 /nfs/dbraw/zinc/30/09/79/523300979.db2.gz OSLFGAWHWHDYCR-UHFFFAOYSA-N 1 0 284.359 2.052 10 0 CEAERO CC[C@H]1COCCN1Cc1ccoc1C[NH2+]C(C)C ZINC000052481486 523335390 /nfs/dbraw/zinc/33/53/90/523335390.db2.gz ZSQTVPXIXVHUMJ-AWEZNQCLSA-N 1 0 266.385 2.388 10 0 CEAERO CC[C@H]1CO[C@@H](C)CN1C[C@@H](C)C[NH2+]CC(C)C ZINC000052570848 523343728 /nfs/dbraw/zinc/34/37/28/523343728.db2.gz DXZCPLUTBIWSAO-KKUMJFAQSA-N 1 0 256.434 2.367 10 0 CEAERO CC[C@@H]1CC[C@@H]([NH3+])[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000061702558 523353628 /nfs/dbraw/zinc/35/36/28/523353628.db2.gz DWLTZYFNNKCMAR-MRVWCRGKSA-N 1 0 267.394 2.366 10 0 CEAERO CCn1cc(C[C@H](Cc2csc(C)n2)[NH2+]C)cn1 ZINC000055294940 523395841 /nfs/dbraw/zinc/39/58/41/523395841.db2.gz FTMMBYOGKPYYIO-GFCCVEGCSA-N 1 0 264.398 2.041 10 0 CEAERO CN(Cc1cccnc1)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181812 523418603 /nfs/dbraw/zinc/41/86/03/523418603.db2.gz RJUIPBOIIOINGO-UHFFFAOYSA-N 1 0 289.423 2.062 10 0 CEAERO CN(Cc1ccoc1)C(=O)c1cccn1C1CC[NH2+]CC1 ZINC000054443781 523472687 /nfs/dbraw/zinc/47/26/87/523472687.db2.gz HCNLKMLHBXWFTM-UHFFFAOYSA-N 1 0 287.363 2.278 10 0 CEAERO CCn1ccnc(N2CCCC[C@H]2C[NH2+]C(C)(C)C)c1=O ZINC000061775407 523503708 /nfs/dbraw/zinc/50/37/08/523503708.db2.gz KVTHMOWBZDZDHF-ZDUSSCGKSA-N 1 0 292.427 2.010 10 0 CEAERO COCCCn1nc(C)c(C[NH2+]C(C)(C)C)c1C ZINC000054717446 523507847 /nfs/dbraw/zinc/50/78/47/523507847.db2.gz MLMBLMITULTIMX-UHFFFAOYSA-N 1 0 253.390 2.425 10 0 CEAERO CC[C@@H]1CO[C@@H](C)CN1Cc1[nH+]c(NN)ccc1Cl ZINC000061638561 523508530 /nfs/dbraw/zinc/50/85/30/523508530.db2.gz JBHFJOIZMIDCKR-VHSXEESVSA-N 1 0 284.791 2.020 10 0 CEAERO CC[C@@H]1CO[C@@H](C)CN1c1cnc(C(C)C)nc1C[NH2+]C ZINC000051518843 523510862 /nfs/dbraw/zinc/51/08/62/523510862.db2.gz KMRMBAGJPHCONC-QWHCGFSZSA-N 1 0 292.427 2.323 10 0 CEAERO CC[C@@H]1CO[C@H](C)CN1CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052197582 523514434 /nfs/dbraw/zinc/51/44/34/523514434.db2.gz ZVXXFPIGOCYQAO-GDBMZVCRSA-N 1 0 296.455 2.035 10 0 CEAERO CCn1ccnc1[C@@H](Cc1ccccc1OC)[NH2+]C ZINC000069497895 523554395 /nfs/dbraw/zinc/55/43/95/523554395.db2.gz PBODURYFTKTRFI-CYBMUJFWSA-N 1 0 259.353 2.415 10 0 CEAERO COCC[N@H+](C)CCNc1ccc(N)c(C(F)(F)F)c1 ZINC000061378001 523613074 /nfs/dbraw/zinc/61/30/74/523613074.db2.gz XGIXEYKLIWWXDK-UHFFFAOYSA-N 1 0 291.317 2.278 10 0 CEAERO CC[C@]1(c2nc(Cc3cccnc3)no2)CCC[NH2+]C1 ZINC000062872416 523633145 /nfs/dbraw/zinc/63/31/45/523633145.db2.gz DMHLPFWYDPFJDJ-HNNXBMFYSA-N 1 0 272.352 2.087 10 0 CEAERO COCCN(C)c1nc(C)c(C[NH2+]C(C)(C)C)s1 ZINC000055001748 523637207 /nfs/dbraw/zinc/63/72/07/523637207.db2.gz RCSXOCDGFCQQNY-UHFFFAOYSA-N 1 0 271.430 2.422 10 0 CEAERO CC[C@@](C)(C[NH2+]C)CN1CCN(c2ccccc2)CC1 ZINC000051211933 523639950 /nfs/dbraw/zinc/63/99/50/523639950.db2.gz XKTRAKBYYMEMSB-KRWDZBQOSA-N 1 0 275.440 2.444 10 0 CEAERO CC[C@@]1(C(=O)N[C@H](C)c2cccnc2)CCC[NH2+]C1 ZINC000062853749 523696050 /nfs/dbraw/zinc/69/60/50/523696050.db2.gz YPLGEWZDZIEJMS-IUODEOHRSA-N 1 0 261.369 2.039 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@H](C)CN1Cc1cn2ccccc2n1 ZINC000068698410 523719335 /nfs/dbraw/zinc/71/93/35/523719335.db2.gz KXNCZJOSFONPQT-CJNGLKHVSA-N 1 0 272.396 2.297 10 0 CEAERO C[NH+]1CCC(Nc2ccc(C(N)=S)cc2Cl)CC1 ZINC000062795265 523778505 /nfs/dbraw/zinc/77/85/05/523778505.db2.gz RVFYXOIRAQRCCY-UHFFFAOYSA-N 1 0 283.828 2.480 10 0 CEAERO COCCN(c1cc(Cl)ccc1C(N)=[NH2+])C1CC1 ZINC000062788901 523783003 /nfs/dbraw/zinc/78/30/03/523783003.db2.gz SARPCXGYXRNADO-UHFFFAOYSA-N 1 0 267.760 2.239 10 0 CEAERO COCCN(c1nc(C)c(C[NH3+])s1)[C@H](C)C1CC1 ZINC000055000834 523784310 /nfs/dbraw/zinc/78/43/10/523784310.db2.gz HLLRKGPLYQLKMA-SNVBAGLBSA-N 1 0 269.414 2.162 10 0 CEAERO COCCN(c1ccc(Cl)cc1C[NH3+])[C@@H](C)COC ZINC000052857480 523784743 /nfs/dbraw/zinc/78/47/43/523784743.db2.gz JCDKOCXENIWOBU-NSHDSACASA-N 1 0 286.803 2.286 10 0 CEAERO CCc1cc(N2CCC[C@H]2C[NH2+]C(C)(C)C)ncn1 ZINC000053695701 523795050 /nfs/dbraw/zinc/79/50/50/523795050.db2.gz GKEBKSFXGDXUFK-ZDUSSCGKSA-N 1 0 262.401 2.396 10 0 CEAERO CN(C(=O)C[C@H]1CCCC[NH2+]1)c1ccccc1F ZINC000050009573 523844629 /nfs/dbraw/zinc/84/46/29/523844629.db2.gz INZFFJLWXZCSCG-LLVKDONJSA-N 1 0 250.317 2.321 10 0 CEAERO CCc1cc2c(ncnc2NC[C@H]2CCC[NH2+]2)s1 ZINC000053255388 523850212 /nfs/dbraw/zinc/85/02/12/523850212.db2.gz SXZYETGCOBGUJW-SECBINFHSA-N 1 0 262.382 2.418 10 0 CEAERO CN(C(=O)Nc1ccc(F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000226459793 523884853 /nfs/dbraw/zinc/88/48/53/523884853.db2.gz ZROUNJODRPKNBR-CYBMUJFWSA-N 1 0 265.332 2.432 10 0 CEAERO COC(=O)[C@H](CC[NH+]1CCCCCCC1)NC(C)C ZINC000062438837 523898370 /nfs/dbraw/zinc/89/83/70/523898370.db2.gz YYABUNKAHSNJCW-AWEZNQCLSA-N 1 0 270.417 2.182 10 0 CEAERO COC(=O)[C@H](CC[N@H+](C)[C@@H]1CCCC[C@@H]1C)NC(C)C ZINC000062522763 523898532 /nfs/dbraw/zinc/89/85/32/523898532.db2.gz FGNWJNHQOUKGSV-SOUVJXGZSA-N 1 0 284.444 2.427 10 0 CEAERO COC(=O)[C@H](CC[NH+]1CCC(C)(C)CC1)NC(C)C ZINC000062533099 523898961 /nfs/dbraw/zinc/89/89/61/523898961.db2.gz ZMOWMZVOWICVLZ-ZDUSSCGKSA-N 1 0 270.417 2.038 10 0 CEAERO COCC[NH2+]CC1(Cc2cnn(C)c2)CCCCC1 ZINC000054655231 523935594 /nfs/dbraw/zinc/93/55/94/523935594.db2.gz PVVDHGZTEXJKEG-UHFFFAOYSA-N 1 0 265.401 2.149 10 0 CEAERO COCC[NH2+]CCCc1cnn(-c2ccccc2F)c1 ZINC000054670290 523937785 /nfs/dbraw/zinc/93/77/85/523937785.db2.gz SZGKOXGGMKTNPK-UHFFFAOYSA-N 1 0 277.343 2.180 10 0 CEAERO COCC[NH2+]C[C@@H]1C[C@H]1c1cc2c(c(Cl)c1)OCO2 ZINC000054598715 523941489 /nfs/dbraw/zinc/94/14/89/523941489.db2.gz GKFJGUVEKIQWQB-QWRGUYRKSA-N 1 0 283.755 2.408 10 0 CEAERO COCC[NH2+]C[C@@H]1C[C@]1(C)c1cc(F)ccc1F ZINC000054599187 523941534 /nfs/dbraw/zinc/94/15/34/523941534.db2.gz KTMWWRUGKQABRI-HZMBPMFUSA-N 1 0 255.308 2.478 10 0 CEAERO COCC[NH2+]C[C@H]1C[C@@H]1c1cc(Cl)c2c(c1)OCCO2 ZINC000054598694 523943500 /nfs/dbraw/zinc/94/35/00/523943500.db2.gz KHJQUSQMAAPXOZ-VXGBXAGGSA-N 1 0 297.782 2.451 10 0 CEAERO COCC[NH2+]C[C@H](CCOC)Cc1ccccc1F ZINC000054667366 523943863 /nfs/dbraw/zinc/94/38/63/523943863.db2.gz ZSGQLRAJSXOYMS-CYBMUJFWSA-N 1 0 269.360 2.257 10 0 CEAERO COCC[NH2+]C[C@H]1C[C@H]1c1cc(OC)cc(OC)c1 ZINC000054598668 523944684 /nfs/dbraw/zinc/94/46/84/523944684.db2.gz CAVZEHRMWMAVAA-DOMZBBRYSA-N 1 0 265.353 2.043 10 0 CEAERO CN(C(=O)c1cccc2c1NCCC2)C1CC[NH+](C)CC1 ZINC000050957405 523946237 /nfs/dbraw/zinc/94/62/37/523946237.db2.gz JVQVZCYQNLMPHO-UHFFFAOYSA-N 1 0 287.407 2.211 10 0 CEAERO COCC[NH2+]Cc1cc(C)nc(-c2ccc(F)cc2)n1 ZINC000054832628 523948188 /nfs/dbraw/zinc/94/81/88/523948188.db2.gz ONBSGRKHIVNZQF-UHFFFAOYSA-N 1 0 275.327 2.327 10 0 CEAERO COCC[NH2+]Cc1cc(F)c(-n2ccnc2C)c(F)c1 ZINC000062738611 523949730 /nfs/dbraw/zinc/94/97/30/523949730.db2.gz SYODDZCFBPHTRN-UHFFFAOYSA-N 1 0 281.306 2.195 10 0 CEAERO COCC[NH2+]Cc1ccc(-n2ccnc2C)c(F)c1 ZINC000062738599 523951098 /nfs/dbraw/zinc/95/10/98/523951098.db2.gz FPPKMTLDSRYARR-UHFFFAOYSA-N 1 0 263.316 2.056 10 0 CEAERO COCC[NH2+]Cc1cccc(OC)c1OCC(F)F ZINC000062732349 523954940 /nfs/dbraw/zinc/95/49/40/523954940.db2.gz OQPLLEAVZOEGRQ-UHFFFAOYSA-N 1 0 275.295 2.075 10 0 CEAERO COCC[NH2+]Cc1ccccc1N1CCOC(C)(C)C1 ZINC000062736270 523955739 /nfs/dbraw/zinc/95/57/39/523955739.db2.gz LAFSDTFGLSIOGE-UHFFFAOYSA-N 1 0 278.396 2.038 10 0 CEAERO COCC[NH2+]Cc1nc(-c2ccc(C)cc2)c(C)[nH]1 ZINC000069236672 523957308 /nfs/dbraw/zinc/95/73/08/523957308.db2.gz HFDKNYOHSNTCLX-UHFFFAOYSA-N 1 0 259.353 2.430 10 0 CEAERO COCC[NH2+][C@@H](CO)c1ccc(Cl)cc1Cl ZINC000053291953 523961232 /nfs/dbraw/zinc/96/12/32/523961232.db2.gz DGGABZJTMCUBGF-NSHDSACASA-N 1 0 264.152 2.263 10 0 CEAERO COCC[NH2+][C@]1(c2nc(C)cs2)CCCSC1 ZINC000061590794 523961942 /nfs/dbraw/zinc/96/19/42/523961942.db2.gz AFZZSYJEGJIPJR-GFCCVEGCSA-N 1 0 272.439 2.410 10 0 CEAERO C[N@@H+]1CC[C@H](Cn2c3ccc(N)cc3nc2C2CC2)C1 ZINC000052853048 523982229 /nfs/dbraw/zinc/98/22/29/523982229.db2.gz JZVUABBQVDLLKU-NSHDSACASA-N 1 0 270.380 2.448 10 0 CEAERO COC(=O)[C@](C)(C[C@H](C)[N@H+](C)C[C@@H]1C[C@@H]1C)NC1CC1 ZINC000068647601 524000337 /nfs/dbraw/zinc/00/03/37/524000337.db2.gz BBMWMKJKCPWKKC-QCQGSNGOSA-N 1 0 282.428 2.037 10 0 CEAERO COC(=O)[C@](C)([NH3+])C[C@@H](C)n1c(C)nc2ccccc21 ZINC000068648798 524002118 /nfs/dbraw/zinc/00/21/18/524002118.db2.gz QMQSXEGPLAYWHI-MEBBXXQBSA-N 1 0 275.352 2.186 10 0 CEAERO C[NH+](C)C(C)(C)CNC(=O)[C@@H]1C[C@@H]1c1ccccc1 ZINC000062092620 524033084 /nfs/dbraw/zinc/03/30/84/524033084.db2.gz SOVPERUWIRGZQL-ZIAGYGMSSA-N 1 0 260.381 2.247 10 0 CEAERO CCc1ccc([C@@H]2[C@H](C[NH2+]C)OCCN2C2CC2)cc1 ZINC000070289490 524040414 /nfs/dbraw/zinc/04/04/14/524040414.db2.gz CNAITIDPAZIPJW-DLBZAZTESA-N 1 0 274.408 2.373 10 0 CEAERO C[NH+](C)CC(C)(C)CNc1[nH+]c2c(cc1C(=O)[O-])CCC2 ZINC000054527283 524046864 /nfs/dbraw/zinc/04/68/64/524046864.db2.gz OQQLGJQSKQCCGO-UHFFFAOYSA-N 1 0 291.395 2.268 10 0 CEAERO C[NH+](C)CCCNC(=O)c1cnoc1-c1ccccc1 ZINC000062619780 524057047 /nfs/dbraw/zinc/05/70/47/524057047.db2.gz PBUPYZLJJCROAB-UHFFFAOYSA-N 1 0 273.336 2.023 10 0 CEAERO COc1ccc(C[NH2+]CC(C)C)c(O[C@H]2CCOC2=O)c1 ZINC000062733222 524069294 /nfs/dbraw/zinc/06/92/94/524069294.db2.gz KYZJYXWABVVLFT-AWEZNQCLSA-N 1 0 293.363 2.135 10 0 CEAERO CNC(=O)[C@H](CC(C)C)[NH2+]Cc1cccc2cnccc21 ZINC000061125296 524102326 /nfs/dbraw/zinc/10/23/26/524102326.db2.gz PERPXAPJRDWICO-INIZCTEOSA-N 1 0 285.391 2.485 10 0 CEAERO COc1cccc([C@H](O)[C@H]2CCCCC[NH2+]2)c1OC ZINC000070319354 524166584 /nfs/dbraw/zinc/16/65/84/524166584.db2.gz OTUUPQQVSCGCTP-OCCSQVGLSA-N 1 0 265.353 2.269 10 0 CEAERO COc1ccc(Cl)cc1C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000062672108 524195907 /nfs/dbraw/zinc/19/59/07/524195907.db2.gz JRVJUFUTEGGXSI-NXEZZACHSA-N 1 0 282.771 2.171 10 0 CEAERO C[C@H]1CCC[C@H](CNC(=O)CCc2ccccc2)[NH2+]1 ZINC000051572854 524196778 /nfs/dbraw/zinc/19/67/78/524196778.db2.gz WYAZHSMRVVGRMO-DZGCQCFKSA-N 1 0 260.381 2.266 10 0 CEAERO Cc1cccc(C(=O)NCc2ccc(CC[NH3+])cc2)c1O ZINC000052898850 524199031 /nfs/dbraw/zinc/19/90/31/524199031.db2.gz SETJTQALHBCOPO-UHFFFAOYSA-N 1 0 284.359 2.132 10 0 CEAERO Cc1cc(C(C)(C)C)ccc1OC[C@@]([NH3+])(C(N)=O)C1CC1 ZINC000069198022 524200918 /nfs/dbraw/zinc/20/09/18/524200918.db2.gz GGHMKYZPAJYZOJ-KRWDZBQOSA-N 1 0 290.407 2.264 10 0 CEAERO C[C@@H]1CCCN(C(=O)c2c[nH+]c(NN)c(Cl)c2)[C@@H]1C ZINC000051091730 524213536 /nfs/dbraw/zinc/21/35/36/524213536.db2.gz VZEIFBUTDLYAOR-RKDXNWHRSA-N 1 0 282.775 2.281 10 0 CEAERO Cc1cc(C)c(C[NH2+]C(C)(C)C)c(-n2cncn2)n1 ZINC000051489682 524270751 /nfs/dbraw/zinc/27/07/51/524270751.db2.gz PYPUKYPYEKRKCN-UHFFFAOYSA-N 1 0 259.357 2.167 10 0 CEAERO C[C@@H]1CCC[C@@H](C[NH3+])N1c1cnc2ccccc2n1 ZINC000070158124 524288679 /nfs/dbraw/zinc/28/86/79/524288679.db2.gz XTQBUTHPOCFDJW-NEPJUHHUSA-N 1 0 256.353 2.336 10 0 CEAERO C[C@H]1CCN(Cc2ncc(C(C)(C)C)o2)C[C@@H]1[NH3+] ZINC000070146815 524299731 /nfs/dbraw/zinc/29/97/31/524299731.db2.gz BONNJHATQVOBMO-QWRGUYRKSA-N 1 0 251.374 2.141 10 0 CEAERO Cc1cc(C)c(NS(=O)(=O)C2CC[NH2+]CC2)c(C)c1 ZINC000049632344 524304817 /nfs/dbraw/zinc/30/48/17/524304817.db2.gz HGYMMEFZERHEGP-UHFFFAOYSA-N 1 0 282.409 2.106 10 0 CEAERO C[C@H](C[NH3+])c1noc(-c2ccc3ncccc3c2)n1 ZINC000061418928 524312525 /nfs/dbraw/zinc/31/25/25/524312525.db2.gz XJQCTLMSBIAMOV-SECBINFHSA-N 1 0 254.293 2.347 10 0 CEAERO C[C@@H](C1CC1)N(C)Cc1[nH+]c(NN)ccc1Cl ZINC000061630957 524319419 /nfs/dbraw/zinc/31/94/19/524319419.db2.gz QCERDAOQDDHQJA-QMMMGPOBSA-N 1 0 254.765 2.251 10 0 CEAERO Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCCS(=O)(=O)C2)c(C)n1 ZINC000069140752 524332203 /nfs/dbraw/zinc/33/22/03/524332203.db2.gz BWTXHTKPAVSBOG-ZIAGYGMSSA-N 1 0 296.436 2.235 10 0 CEAERO COc1ccccc1CN1CC[C@@H](C[NH2+]C2CC2)C1 ZINC000053011697 524453034 /nfs/dbraw/zinc/45/30/34/524453034.db2.gz PNECUXSRCNGJHF-ZDUSSCGKSA-N 1 0 260.381 2.269 10 0 CEAERO C[C@H](C[NH2+]C1CC1)CN(CC(F)(F)F)C1CC1 ZINC000052503495 524478294 /nfs/dbraw/zinc/47/82/94/524478294.db2.gz UKAIHBOUDHABGG-SECBINFHSA-N 1 0 250.308 2.401 10 0 CEAERO C[C@H](C[NH2+]C[C@H]1CCCO1)n1ccc(C(F)(F)F)n1 ZINC000053533895 524486935 /nfs/dbraw/zinc/48/69/35/524486935.db2.gz NOMAJTRREIEAPL-NXEZZACHSA-N 1 0 277.290 2.232 10 0 CEAERO COc1ccc(NC(=O)[C@@H]2CCC[C@@H](C)[NH2+]2)c(C)c1 ZINC000061568484 524595112 /nfs/dbraw/zinc/59/51/12/524595112.db2.gz JSVFIFFPRGZLOT-RISCZKNCSA-N 1 0 262.353 2.473 10 0 CEAERO C[C@H]1CN(CC[NH2+]C2CCCCCC2)CCCO1 ZINC000061936386 524596264 /nfs/dbraw/zinc/59/62/64/524596264.db2.gz JVLYHOHCHHCJNO-AWEZNQCLSA-N 1 0 254.418 2.410 10 0 CEAERO C[C@@H]1CC[C@@H](NC(=O)CCOC2CC[NH2+]CC2)C[C@@H]1C ZINC000068584401 524603104 /nfs/dbraw/zinc/60/31/04/524603104.db2.gz PFEJDNCHFDXOBU-HZSPNIEDSA-N 1 0 282.428 2.086 10 0 CEAERO C[C@H]1CN(Cc2c(C[NH3+])oc3ccccc32)CCO1 ZINC000052382413 524608545 /nfs/dbraw/zinc/60/85/45/524608545.db2.gz KDSXCMXBWDDKTM-NSHDSACASA-N 1 0 260.337 2.112 10 0 CEAERO COc1ccccc1NC(=O)N1[C@H](C)CCC[C@@H]1C[NH3+] ZINC000070153177 524613571 /nfs/dbraw/zinc/61/35/71/524613571.db2.gz NXGKRVJWLBDUFV-VXGBXAGGSA-N 1 0 277.368 2.429 10 0 CEAERO C[C@@H]1CC[C@H](C(=O)N2CCC(C)(C)CC2)C[C@@H]1[NH3+] ZINC000061824368 524630223 /nfs/dbraw/zinc/63/02/23/524630223.db2.gz TXKTYDHTQWRDMN-AGIUHOORSA-N 1 0 252.402 2.399 10 0 CEAERO C[C@H](C[C@@](C)([NH3+])C(N)=O)Oc1ccc2ccccc2c1 ZINC000068656931 524631140 /nfs/dbraw/zinc/63/11/40/524631140.db2.gz YOTMZEBPOUSCHR-BDJLRTHQSA-N 1 0 272.348 2.200 10 0 CEAERO C[C@H]1CN(Cc2ccccc2C[NH2+]C2CC2)CCO1 ZINC000052382741 524636659 /nfs/dbraw/zinc/63/66/59/524636659.db2.gz VYYWAXALUDGQMO-ZDUSSCGKSA-N 1 0 260.381 2.159 10 0 CEAERO COc1ccc(NC(=O)c2cc[nH+]c(NN)c2)cc1Cl ZINC000051089453 524648226 /nfs/dbraw/zinc/64/82/26/524648226.db2.gz MDNMFUUWRDELHL-UHFFFAOYSA-N 1 0 292.726 2.282 10 0 CEAERO COc1ccccc1[C@@H](C)N(C)C(=O)CC[C@@H](C)[NH3+] ZINC000070316591 524714974 /nfs/dbraw/zinc/71/49/74/524714974.db2.gz GBYAXALKZUVQDC-VXGBXAGGSA-N 1 0 264.369 2.342 10 0 CEAERO C[C@H]1COCCN1[C@@H](C[NH2+]C1CC1)c1ccccc1 ZINC000052476134 524724242 /nfs/dbraw/zinc/72/42/42/524724242.db2.gz MSIVQPHJKHTQOE-BBRMVZONSA-N 1 0 260.381 2.200 10 0 CEAERO C[C@@H](C[NH2+]C(C)(C)C)n1nnc(-c2ccccc2)n1 ZINC000052574706 524732842 /nfs/dbraw/zinc/73/28/42/524732842.db2.gz XBDBRYMFWQNAPY-NSHDSACASA-N 1 0 259.357 2.289 10 0 CEAERO COc1ccccc1[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000054686209 524744572 /nfs/dbraw/zinc/74/45/72/524744572.db2.gz XTIPPRNYMRHHFX-GOEBONIOSA-N 1 0 257.333 2.299 10 0 CEAERO C[C@@H](CNc1cc(C(N)=S)c2ccccc2n1)[NH+](C)C ZINC000068799303 524752904 /nfs/dbraw/zinc/75/29/04/524752904.db2.gz ANBDZDZGPBTPBF-JTQLQIEISA-N 1 0 288.420 2.231 10 0 CEAERO Cc1ccc(F)c(C(=O)NCC[C@@H]2CCCC[NH2+]2)c1 ZINC000052981585 524792864 /nfs/dbraw/zinc/79/28/64/524792864.db2.gz NCUBAWQVADFHOP-LBPRGKRZSA-N 1 0 264.344 2.396 10 0 CEAERO Cc1ccc(F)c(C(=O)N[C@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000052981211 524797358 /nfs/dbraw/zinc/79/73/58/524797358.db2.gz ATSZKIMOKNHGJL-XQQFMLRXSA-N 1 0 276.355 2.252 10 0 CEAERO Cc1ccc(F)c(C(=O)Nc2ccc(C[NH3+])cn2)c1 ZINC000052980578 524800130 /nfs/dbraw/zinc/80/01/30/524800130.db2.gz UZBVUQFTLUGXPO-UHFFFAOYSA-N 1 0 259.284 2.240 10 0 CEAERO C[C@H]([NH3+])Cc1noc(-c2ccc(Cl)cc2F)n1 ZINC000054161285 524835442 /nfs/dbraw/zinc/83/54/42/524835442.db2.gz LIAHCFMZTDZENO-LURJTMIESA-N 1 0 255.680 2.419 10 0 CEAERO C[C@H]([NH3+])Cc1nc(-c2ccc3ncccc3c2)no1 ZINC000062801493 524836378 /nfs/dbraw/zinc/83/63/78/524836378.db2.gz COUDKIAZOGFJSJ-VIFPVBQESA-N 1 0 254.293 2.175 10 0 CEAERO Cc1ccc(F)cc1C(=O)NC[C@H]1CCC[C@@H](C)[NH2+]1 ZINC000062665115 524846059 /nfs/dbraw/zinc/84/60/59/524846059.db2.gz VNYAYBRQQQBELV-DGCLKSJQSA-N 1 0 264.344 2.395 10 0 CEAERO C[C@@H](C[C@@](C)([NH3+])C(N)=O)Oc1ccccc1C(F)(F)F ZINC000068654750 524851714 /nfs/dbraw/zinc/85/17/14/524851714.db2.gz SXWJNCMXLVEJDF-QPUJVOFHSA-N 1 0 290.285 2.066 10 0 CEAERO C[C@@H](C[C@](C)([NH3+])C(N)=O)Oc1ccc2ccccc2c1 ZINC000068656907 524859881 /nfs/dbraw/zinc/85/98/81/524859881.db2.gz YOTMZEBPOUSCHR-ZBEGNZNMSA-N 1 0 272.348 2.200 10 0 CEAERO C[C@H]([NH3+])c1ccc(Sc2nc(N)cc(N)n2)c(Cl)c1 ZINC000061700313 524867726 /nfs/dbraw/zinc/86/77/26/524867726.db2.gz FMRPUCBDKAHUBY-LURJTMIESA-N 1 0 295.799 2.465 10 0 CEAERO C[C@H]([NH3+])c1cnc(N(C)CCc2ccncc2)s1 ZINC000054896170 524868245 /nfs/dbraw/zinc/86/82/45/524868245.db2.gz WGSFVYOLOUINJY-JTQLQIEISA-N 1 0 262.382 2.237 10 0 CEAERO Cc1ccc(F)cc1NS(=O)(=O)CCC[NH2+]C(C)C ZINC000049641854 524870882 /nfs/dbraw/zinc/87/08/82/524870882.db2.gz IECHXXCXAHMPFA-UHFFFAOYSA-N 1 0 288.388 2.264 10 0 CEAERO C[C@@H](Cc1ccco1)NC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000052881881 524925546 /nfs/dbraw/zinc/92/55/46/524925546.db2.gz PEFCCAWJSPLNAT-LRDDRELGSA-N 1 0 272.348 2.201 10 0 CEAERO C[C@H](NC(=O)CCCC[NH3+])c1ccc(F)cc1F ZINC000070201851 524929790 /nfs/dbraw/zinc/92/97/90/524929790.db2.gz CSODYFKZKHCZQO-VIFPVBQESA-N 1 0 256.296 2.271 10 0 CEAERO C[C@@H]([NH3+])Cc1nc(-c2ccc(F)c(Cl)c2)no1 ZINC000062790757 525000400 /nfs/dbraw/zinc/00/04/00/525000400.db2.gz OPYUYXDMNYHASI-ZCFIWIBFSA-N 1 0 255.680 2.419 10 0 CEAERO C[C@@H]([NH3+])Cc1noc(Cc2cccc(Br)c2)n1 ZINC000054161562 525001682 /nfs/dbraw/zinc/00/16/82/525001682.db2.gz LVBKRJVXVNRUJZ-MRVPVSSYSA-N 1 0 296.168 2.313 10 0 CEAERO C[C@@H]1CN(Cc2cccc(C[NH2+]C3CC3)c2)CCO1 ZINC000052382319 525001576 /nfs/dbraw/zinc/00/15/76/525001576.db2.gz NZQDDMFSBJPSBQ-CYBMUJFWSA-N 1 0 260.381 2.159 10 0 CEAERO C[C@@H]([NH3+])[C@@H](N1CCOc2ccccc2C1)C(F)(F)F ZINC000063012376 525003975 /nfs/dbraw/zinc/00/39/75/525003975.db2.gz RTHWYHMMJXWZKH-BXKDBHETSA-N 1 0 274.286 2.159 10 0 CEAERO C[C@@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C1CC1)c1ccsc1 ZINC000061594659 525015966 /nfs/dbraw/zinc/01/59/66/525015966.db2.gz QWRBMWVNDLSVIP-XCBNKYQSSA-N 1 0 296.421 2.148 10 0 CEAERO Cc1ccc(NC(=O)C[NH2+][C@H](C)CN2CCCCC2)cc1 ZINC000049501863 525064996 /nfs/dbraw/zinc/06/49/96/525064996.db2.gz JDIULCVZGNDDDP-OAHLLOKOSA-N 1 0 289.423 2.398 10 0 CEAERO Cc1cc(N2CC[NH+](C(C)(C)C)CC2)ccc1CO ZINC000050583060 525077540 /nfs/dbraw/zinc/07/75/40/525077540.db2.gz VZGMSGZBUBYHGE-UHFFFAOYSA-N 1 0 262.397 2.408 10 0 CEAERO C[C@@H](NC(=O)CCCC[NH3+])c1ccc(F)c(F)c1 ZINC000070201855 525085276 /nfs/dbraw/zinc/08/52/76/525085276.db2.gz GOGTZLNIQLYSPB-SECBINFHSA-N 1 0 256.296 2.271 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C)N1C(=O)Nc1ccccc1F ZINC000069133501 525095112 /nfs/dbraw/zinc/09/51/12/525095112.db2.gz FOCLJMWNULVWOM-NXEZZACHSA-N 1 0 251.305 2.040 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H](C)N1C(=O)c1cccc2cccnc21 ZINC000069133466 525101534 /nfs/dbraw/zinc/10/15/34/525101534.db2.gz FEKAETHQYHERHX-TXEJJXNPSA-N 1 0 269.348 2.057 10 0 CEAERO Cc1ccccc1CCC(=O)NC[C@H]1CC[C@H](C)[NH2+]C1 ZINC000062037106 525103158 /nfs/dbraw/zinc/10/31/58/525103158.db2.gz UVWSLWWUVNNJRG-GJZGRUSLSA-N 1 0 274.408 2.432 10 0 CEAERO CS(=O)(=O)CCC[C@H]1CCc2ccccc2[C@@H]1[NH3+] ZINC000063015828 525119876 /nfs/dbraw/zinc/11/98/76/525119876.db2.gz WAXYWQWJTZWTMQ-GXTWGEPZSA-N 1 0 267.394 2.074 10 0 CEAERO COc1ccc([C@@H](C[NH3+])N2CCSCC2)cc1C ZINC000050596513 525180481 /nfs/dbraw/zinc/18/04/81/525180481.db2.gz AYQIJAPOOXXFER-CYBMUJFWSA-N 1 0 266.410 2.052 10 0 CEAERO COc1ccc([C@@H]([NH3+])Cc2ccncc2)c(OC)c1 ZINC000055232993 525189686 /nfs/dbraw/zinc/18/96/86/525189686.db2.gz CPFFLHUURCMQSF-AWEZNQCLSA-N 1 0 258.321 2.341 10 0 CEAERO Cc1ccc(NC(=O)[C@@](C)([NH3+])c2ccccc2)nc1 ZINC000052881308 525210186 /nfs/dbraw/zinc/21/01/86/525210186.db2.gz WEFWXGFARJFTIK-HNNXBMFYSA-N 1 0 255.321 2.203 10 0 CEAERO Cc1ccccc1N(C)C[C@@]([NH2+]C(C)C)(C(N)=O)C1CC1 ZINC000069231352 525215430 /nfs/dbraw/zinc/21/54/30/525215430.db2.gz KVNVMQOJEZDVMX-KRWDZBQOSA-N 1 0 289.423 2.063 10 0 CEAERO Cc1cc(NCC[C@@H](C)[NH3+])ncc1Br ZINC000163955944 525270365 /nfs/dbraw/zinc/27/03/65/525270365.db2.gz QJVOEGLWFLJJSW-MRVPVSSYSA-N 1 0 258.163 2.302 10 0 CEAERO C[C@]1(c2ccc(S(C)(=O)=O)cc2)C[C@@H]1C[NH2+]C1CC1 ZINC000054596398 525319219 /nfs/dbraw/zinc/31/92/19/525319219.db2.gz VHYJQFALPGMVKL-IUODEOHRSA-N 1 0 279.405 2.120 10 0 CEAERO Cc1ccccc1[C@@H](C[NH3+])N(CCO)Cc1ccccc1 ZINC000050514110 525366905 /nfs/dbraw/zinc/36/69/05/525366905.db2.gz BJDMPCLODIHIEY-GOSISDBHSA-N 1 0 284.403 2.489 10 0 CEAERO C[C@H]([NH2+]CCc1ccsc1)C(=O)NC(C)(C)C ZINC000049181609 525370581 /nfs/dbraw/zinc/37/05/81/525370581.db2.gz SDWGEOFKSKVHCD-JTQLQIEISA-N 1 0 254.399 2.183 10 0 CEAERO Cc1ccc(OCCC[C@@](C)([NH2+]C(C)C)C(N)=O)cc1 ZINC000045476634 525412594 /nfs/dbraw/zinc/41/25/94/525412594.db2.gz XUSXADHYJOQXKG-MRXNPFEDSA-N 1 0 278.396 2.396 10 0 CEAERO C[C@@H]([NH2+]CC1CCN(C(=O)C(C)(C)C)CC1)[C@@H]1CCCO1 ZINC000161946977 525426353 /nfs/dbraw/zinc/42/63/53/525426353.db2.gz FPZVJIOJXYAZIR-HIFRSBDPSA-N 1 0 296.455 2.428 10 0 CEAERO Cc1ccc(OC[C@@H](O)C(F)(F)F)c([C@@H](C)[NH3+])c1 ZINC000068876770 525429554 /nfs/dbraw/zinc/42/95/54/525429554.db2.gz GGPDTXTUAHJLKX-LDYMZIIASA-N 1 0 263.259 2.317 10 0 CEAERO COc1ccc([C@H]2[C@@H](C[NH2+]C(C)C)OCCN2C)cc1 ZINC000070286175 525435267 /nfs/dbraw/zinc/43/52/67/525435267.db2.gz IQRLZPGXFKJGAZ-CVEARBPZSA-N 1 0 278.396 2.065 10 0 CEAERO Cc1cc(S[C@@H](c2ccncc2)[C@H](C)[NH3+])n(C)n1 ZINC000052309658 525438246 /nfs/dbraw/zinc/43/82/46/525438246.db2.gz YZRARWVCESQUGR-GXFFZTMASA-N 1 0 262.382 2.304 10 0 CEAERO Cc1cc(S[C@@H](c2cccnc2)[C@H](C)[NH3+])n(C)n1 ZINC000052309632 525438610 /nfs/dbraw/zinc/43/86/10/525438610.db2.gz OECPFIOXJMBHDD-GXFFZTMASA-N 1 0 262.382 2.304 10 0 CEAERO Cc1ccc(S(=O)(=O)N(C)c2cccc(C[NH3+])c2)cc1 ZINC000061950458 525501657 /nfs/dbraw/zinc/50/16/57/525501657.db2.gz WOBFVLYNPWTJTH-UHFFFAOYSA-N 1 0 290.388 2.279 10 0 CEAERO Cc1cc([C@H]([NH2+]C2CCCC2)C(N)=O)ccc1F ZINC000050558971 525537677 /nfs/dbraw/zinc/53/76/77/525537677.db2.gz FINGHTTUYBXPFT-ZDUSSCGKSA-N 1 0 250.317 2.193 10 0 CEAERO CSCC[C@@H]([NH3+])c1nc(-c2cccs2)n[nH]1 ZINC000054700161 525547669 /nfs/dbraw/zinc/54/76/69/525547669.db2.gz LRXIDGAFGDBWIN-SSDOTTSWSA-N 1 0 254.384 2.286 10 0 CEAERO C[C@@H]([NH2+][C@@H](C)CN1CCCC1)c1ccc(NC(N)=O)cc1 ZINC000049151226 525600168 /nfs/dbraw/zinc/60/01/68/525600168.db2.gz KSPPJGSNKVDFBB-QWHCGFSZSA-N 1 0 290.411 2.312 10 0 CEAERO CSC[C@@H](C)C[NH2+]CC(=O)Nc1c(F)cccc1F ZINC000069448130 525622034 /nfs/dbraw/zinc/62/20/34/525622034.db2.gz CVHKGLYPNGKYML-VIFPVBQESA-N 1 0 288.363 2.492 10 0 CEAERO C[C@@H]1[C@@H](C)CCCN1S(=O)(=O)Cc1cccc(C[NH3+])c1 ZINC000050564981 525642568 /nfs/dbraw/zinc/64/25/68/525642568.db2.gz VZKBGWDRBMHNRA-QWHCGFSZSA-N 1 0 296.436 2.096 10 0 CEAERO Cc1c(C)n([C@@H](C)CC[NH+](C)C)c2ncnc(N)c12 ZINC000049559812 525688424 /nfs/dbraw/zinc/68/84/24/525688424.db2.gz RYSBWIFTYVIIFS-VIFPVBQESA-N 1 0 261.373 2.143 10 0 CEAERO C[C@@]([NH3+])(CCCC[N@@H+]1CCCC(C)(C)C1)C(=O)[O-] ZINC000069516990 525748948 /nfs/dbraw/zinc/74/89/48/525748948.db2.gz PUBRCIPDQVZPGO-CQSZACIVSA-N 1 0 256.390 2.081 10 0 CEAERO Cc1ccc([C@@H](CN)[N@@H+]2CCC[C@@H]2CCCO)s1 ZINC000052757337 525756323 /nfs/dbraw/zinc/75/63/23/525756323.db2.gz BZRPWHCQHVJGQZ-CHWSQXEVSA-N 1 0 268.426 2.293 10 0 CEAERO C[C@H](O)c1ccc(F)cc1OCC[NH+]1CCCC1 ZINC000062748767 525853907 /nfs/dbraw/zinc/85/39/07/525853907.db2.gz CBIBTHPJKVRFDF-NSHDSACASA-N 1 0 253.317 2.354 10 0 CEAERO C[C@H](O)c1ccccc1NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000049547264 525861021 /nfs/dbraw/zinc/86/10/21/525861021.db2.gz ASRGZRNKSIQKGL-SWLSCSKDSA-N 1 0 284.359 2.248 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)C[C@@H]2CCC[NH2+]C2)o1 ZINC000054306675 525892475 /nfs/dbraw/zinc/89/24/75/525892475.db2.gz ZBQPQGGXYFQGLQ-RYUDHWBXSA-N 1 0 250.342 2.155 10 0 CEAERO COc1cccc(CC[NH3+])c1OCc1nc(C2CC2)no1 ZINC000049344972 525892976 /nfs/dbraw/zinc/89/29/76/525892976.db2.gz UKPQYULFDCDBNR-UHFFFAOYSA-N 1 0 289.335 2.036 10 0 CEAERO Cc1ccc(-n2cc(CCC[NH2+]C(C)(C)C)cn2)nn1 ZINC000054680951 525906812 /nfs/dbraw/zinc/90/68/12/525906812.db2.gz YPJIXDILCCNHJF-UHFFFAOYSA-N 1 0 273.384 2.291 10 0 CEAERO COc1cccc(CN2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000068693567 525947369 /nfs/dbraw/zinc/94/73/69/525947369.db2.gz FCMUCWODEAXSSV-INIZCTEOSA-N 1 0 283.375 2.237 10 0 CEAERO C[C@@H](Oc1cccc2c1CC[C@H]2[NH3+])C(=O)N1CCCCC1 ZINC000062798753 525947775 /nfs/dbraw/zinc/94/77/75/525947775.db2.gz AFAHFVSCKNNBIX-IUODEOHRSA-N 1 0 288.391 2.412 10 0 CEAERO C[C@H](C(=O)N(Cc1ccc(F)cc1F)C1CC1)C1C[NH2+]C1 ZINC000164203048 525949546 /nfs/dbraw/zinc/94/95/46/525949546.db2.gz OKPPLPSKYRHKRS-JTQLQIEISA-N 1 0 294.345 2.311 10 0 CEAERO C[C@H](Oc1cccc2c1CC[C@@H]2[NH3+])C(=O)N1CCCCC1 ZINC000062798750 525952056 /nfs/dbraw/zinc/95/20/56/525952056.db2.gz AFAHFVSCKNNBIX-WFASDCNBSA-N 1 0 288.391 2.412 10 0 CEAERO Cc1ccc(=O)n(C[C@H]([NH3+])c2ccc(C(C)C)cc2)n1 ZINC000061810408 525977795 /nfs/dbraw/zinc/97/77/95/525977795.db2.gz PTJFVJLKZYLIBY-HNNXBMFYSA-N 1 0 271.364 2.375 10 0 CEAERO Cc1ccc(=O)n(C[C@H]([NH3+])C23CC4CC(CC(C4)C2)C3)n1 ZINC000061810462 525978290 /nfs/dbraw/zinc/97/82/90/525978290.db2.gz UMSRSSCPQHPJSX-RDVIWEACSA-N 1 0 287.407 2.095 10 0 CEAERO C[C@H](C(=O)N1CC[NH+](CC(C)(C)C)CC1)C1CC1 ZINC000062455913 525981913 /nfs/dbraw/zinc/98/19/13/525981913.db2.gz RETHXCCFOVWTQB-LBPRGKRZSA-N 1 0 252.402 2.223 10 0 CEAERO COc1cccc(C[NH2+]CC(C)C)c1OC[C@@H](C)O ZINC000062732297 526014289 /nfs/dbraw/zinc/01/42/89/526014289.db2.gz ZPIUDKGAKBIIKT-GFCCVEGCSA-N 1 0 267.369 2.200 10 0 CEAERO Cc1cnc(N2CCC(C[NH2+]C(C)(C)C)CC2)nc1 ZINC000063049304 526069788 /nfs/dbraw/zinc/06/97/88/526069788.db2.gz ORVZOTXHYHRZHZ-UHFFFAOYSA-N 1 0 262.401 2.390 10 0 CEAERO Cc1cnc(SCC[NH2+][C@H](C)[C@H]2CCCO2)nc1 ZINC000053647847 526102129 /nfs/dbraw/zinc/10/21/29/526102129.db2.gz UNIDTLYNXWBFGV-VXGBXAGGSA-N 1 0 267.398 2.034 10 0 CEAERO COc1cccc(N(C)C(=O)[C@]2(C)CCC[NH2+]C2)c1 ZINC000062860615 526130362 /nfs/dbraw/zinc/13/03/62/526130362.db2.gz ZOKJMAZVYGFNLF-OAHLLOKOSA-N 1 0 262.353 2.048 10 0 CEAERO Cc1ccc(C(=O)NC[C@H]2CC[C@@H](C)[NH2+]C2)cc1F ZINC000062036706 526182945 /nfs/dbraw/zinc/18/29/45/526182945.db2.gz ZPJIMMPENXAWIM-NEPJUHHUSA-N 1 0 264.344 2.252 10 0 CEAERO COc1cccc(OC)c1OCc1occc1C[NH3+] ZINC000052650148 526225346 /nfs/dbraw/zinc/22/53/46/526225346.db2.gz CIHMREANYOORER-UHFFFAOYSA-N 1 0 263.293 2.335 10 0 CEAERO C[C@@H]1CCC(=O)[C@@H](C[N@@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000061653358 526238098 /nfs/dbraw/zinc/23/80/98/526238098.db2.gz CZEQUEGYXXTNMY-MGPQQGTHSA-N 1 0 252.402 2.018 10 0 CEAERO O[C@H](C[NH+]1Cc2ccccc2C1)c1ccc2c(c1)OCO2 ZINC000050912067 526274521 /nfs/dbraw/zinc/27/45/21/526274521.db2.gz XNXPPNRPOUGNKV-OAHLLOKOSA-N 1 0 283.327 2.465 10 0 CEAERO Cc1nn(CCCCC(N)=[NH2+])c(C)c1Br ZINC000050593442 526279073 /nfs/dbraw/zinc/27/90/73/526279073.db2.gz PTXBQWKAYYYESU-UHFFFAOYSA-N 1 0 273.178 2.369 10 0 CEAERO Cc1nn(CCc2ccccn2)c(C)c1C[C@@H](C)[NH3+] ZINC000062803265 526283314 /nfs/dbraw/zinc/28/33/14/526283314.db2.gz WXTBNYVZWGHLFP-LLVKDONJSA-N 1 0 258.369 2.027 10 0 CEAERO O=C(C1CCCC1)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000063189544 526295378 /nfs/dbraw/zinc/29/53/78/526295378.db2.gz BFSKIFGREKKDTK-KGLIPLIRSA-N 1 0 250.386 2.310 10 0 CEAERO Cc1nn([C@H]2CCCC[C@@H]2O)c(C)c1C[NH2+]C(C)C ZINC000054599990 526306046 /nfs/dbraw/zinc/30/60/46/526306046.db2.gz QWEMWWCHPANTGV-GJZGRUSLSA-N 1 0 265.401 2.474 10 0 CEAERO Fc1cc(F)cc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000156661696 526306758 /nfs/dbraw/zinc/30/67/58/526306758.db2.gz DKTNWFAILOTOQA-GFCCVEGCSA-N 1 0 292.333 2.469 10 0 CEAERO Cc1nn([C@H]2CCOC2)c(C)c1C[NH2+]CC(C)C ZINC000070072930 526307311 /nfs/dbraw/zinc/30/73/11/526307311.db2.gz DXPWVXCZCNUUKA-ZDUSSCGKSA-N 1 0 251.374 2.207 10 0 CEAERO Fc1cc2ncn(CC[NH2+]C[C@@H]3CCCO3)c2cc1F ZINC000053530574 526312016 /nfs/dbraw/zinc/31/20/16/526312016.db2.gz FESWTQDTEPTQMV-JTQLQIEISA-N 1 0 281.306 2.083 10 0 CEAERO Cc1csc(Cc2noc(C3CCC([NH3+])CC3)n2)n1 ZINC000055266336 526369598 /nfs/dbraw/zinc/36/95/98/526369598.db2.gz PLBVQTNQKBJKRU-UHFFFAOYSA-N 1 0 278.381 2.410 10 0 CEAERO c1[nH]c2ccccc2c1C[NH2+][C@@H]1CN2CCC1CC2 ZINC000049137939 526392889 /nfs/dbraw/zinc/39/28/89/526392889.db2.gz FTMJXTXARBDBAN-MRXNPFEDSA-N 1 0 255.365 2.352 10 0 CEAERO c1ccc(C[C@@H]2CN(C[C@@H]3CCCO3)CCC[NH2+]2)cc1 ZINC000062668029 526477322 /nfs/dbraw/zinc/47/73/22/526477322.db2.gz RQGHYZWCHOMHNH-SJORKVTESA-N 1 0 274.408 2.072 10 0 CEAERO c1ccc(OCCC[NH2+][C@@H]2CCN(C3CC3)C2)cc1 ZINC000061815764 526485089 /nfs/dbraw/zinc/48/50/89/526485089.db2.gz NMELYQASJWUJAC-CQSZACIVSA-N 1 0 260.381 2.282 10 0 CEAERO c1cn(-c2ccccc2)nc1COCC1CC[NH2+]CC1 ZINC000061641219 526527292 /nfs/dbraw/zinc/52/72/92/526527292.db2.gz PBCAZFTZLHZSMY-UHFFFAOYSA-N 1 0 271.364 2.389 10 0 CEAERO c1cn(CCC[N@@H+]2CCNC[C@@H]2C2CCCCC2)cn1 ZINC000068696990 526531711 /nfs/dbraw/zinc/53/17/11/526531711.db2.gz KCNOMHYDNQQBCD-MRXNPFEDSA-N 1 0 276.428 2.127 10 0 CEAERO c1coc(-c2noc([C@@H]3CCCN3C3CC[NH2+]CC3)n2)c1 ZINC000054445303 526564966 /nfs/dbraw/zinc/56/49/66/526564966.db2.gz FFQAYLBMMSSHAW-LBPRGKRZSA-N 1 0 288.351 2.219 10 0 CEAERO O=C(c1cc(Cl)c[nH]1)N1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000051358921 526606040 /nfs/dbraw/zinc/60/60/40/526606040.db2.gz YURQYQFCJMBGOI-PWSUYJOCSA-N 1 0 267.760 2.025 10 0 CEAERO Cc1nc(C)n(Cc2ccoc2C[NH2+]C(C)(C)C)n1 ZINC000052574526 526765382 /nfs/dbraw/zinc/76/53/82/526765382.db2.gz KMUFYHLGZLGBDJ-UHFFFAOYSA-N 1 0 262.357 2.424 10 0 CEAERO Cc1oc(C[NH2+]C2CC2)cc1CN1CCOC[C@@H]1C ZINC000052476089 526775037 /nfs/dbraw/zinc/77/50/37/526775037.db2.gz PVQNJKYFHBKATO-NSHDSACASA-N 1 0 264.369 2.061 10 0 CEAERO Cc1nc(CN(C)c2ncc(C[NH3+])s2)cs1 ZINC000054897346 526847028 /nfs/dbraw/zinc/84/70/28/526847028.db2.gz NCGQJIWDPXYYER-UHFFFAOYSA-N 1 0 254.384 2.003 10 0 CEAERO Cc1occc1CN(C)CC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000053445510 526823941 /nfs/dbraw/zinc/82/39/41/526823941.db2.gz OOUOXOHQRHWIAF-DOMZBBRYSA-N 1 0 266.385 2.177 10 0 CEAERO NC(=[NH2+])c1ccnc(OCCCc2ccccc2)c1 ZINC000045627811 526824402 /nfs/dbraw/zinc/82/44/02/526824402.db2.gz IGKAGXFCNQAIRA-UHFFFAOYSA-N 1 0 255.321 2.377 10 0 CEAERO Cc1nc(CN(C)C(=O)[C@@](C)([NH3+])c2ccccc2)cs1 ZINC000052882990 526835762 /nfs/dbraw/zinc/83/57/62/526835762.db2.gz QEANJGJSGRUBLA-HNNXBMFYSA-N 1 0 289.404 2.284 10 0 CEAERO Cc1nc(C[C@H]2CCCO2)nc(C)c1CCC[NH2+]C1CC1 ZINC000054837794 526923193 /nfs/dbraw/zinc/92/31/93/526923193.db2.gz SUQVLJNDPFKXRL-OAHLLOKOSA-N 1 0 289.423 2.500 10 0 CEAERO NC(=O)[C@@H]([NH2+]C[C@@H]1CCCO1)c1csc2ccccc21 ZINC000054464858 526955630 /nfs/dbraw/zinc/95/56/30/526955630.db2.gz BNBIXGMVEKFDEZ-HZMBPMFUSA-N 1 0 290.388 2.196 10 0 CEAERO Cc1nc(N)sc1C(=O)Nc1ccccc1C[NH+](C)C ZINC000055171821 526959129 /nfs/dbraw/zinc/95/91/29/526959129.db2.gz DKJWFXLBRSBAOY-UHFFFAOYSA-N 1 0 290.392 2.348 10 0 CEAERO Cc1nc(N2CCCCCC2)nc(C)c1CCC[NH3+] ZINC000054836495 526964468 /nfs/dbraw/zinc/96/44/68/526964468.db2.gz NVNALFOWSSLJOO-UHFFFAOYSA-N 1 0 262.401 2.365 10 0 CEAERO Cc1nc(N2CC[NH+](C(C)C)CC2)sc1[C@H](C)O ZINC000054911179 526967704 /nfs/dbraw/zinc/96/77/04/526967704.db2.gz JPINUMQWCDQODV-NSHDSACASA-N 1 0 269.414 2.035 10 0 CEAERO NC(=O)[C@H](CCc1ccccc1)[NH2+]C1CCCCC1 ZINC000061625372 526992872 /nfs/dbraw/zinc/99/28/72/526992872.db2.gz UNXJJXWBIAGASJ-HNNXBMFYSA-N 1 0 260.381 2.395 10 0 CEAERO O=C1COc2ccc(Cl)cc2N1CC[C@@H]1CCC[NH2+]C1 ZINC000051919857 527015020 /nfs/dbraw/zinc/01/50/20/527015020.db2.gz ZWEXGDCXZQHMRF-NSHDSACASA-N 1 0 294.782 2.455 10 0 CEAERO O=S(=O)(CC1CC[NH2+]CC1)Nc1cccc(Cl)c1 ZINC000049641596 527168308 /nfs/dbraw/zinc/16/83/08/527168308.db2.gz PDKQSBKODLLDEX-UHFFFAOYSA-N 1 0 288.800 2.081 10 0 CEAERO [NH3+]CCc1cnn(Cc2ccc(Br)cc2)c1 ZINC000054740838 527197880 /nfs/dbraw/zinc/19/78/80/527197880.db2.gz RXLPAIAYZXTXLR-UHFFFAOYSA-N 1 0 280.169 2.195 10 0 CEAERO [NH3+]CCc1nccn1-c1ccccc1C(F)(F)F ZINC000052304629 527199261 /nfs/dbraw/zinc/19/92/61/527199261.db2.gz RSHGNCWZOZANCY-UHFFFAOYSA-N 1 0 255.243 2.392 10 0 CEAERO [NH3+]C[C@@H](Sc1ncnc2[nH]cnc21)c1ccsc1 ZINC000051035990 527205973 /nfs/dbraw/zinc/20/59/73/527205973.db2.gz LEAGXMLQIVQACW-MRVPVSSYSA-N 1 0 277.378 2.207 10 0 CEAERO [NH3+]C[C@@H](c1ccccc1F)N1CCC[C@@H]1CCCO ZINC000052757572 527207943 /nfs/dbraw/zinc/20/79/43/527207943.db2.gz STIWZPHVHRORKD-DOMZBBRYSA-N 1 0 266.360 2.062 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1Cc1cc(F)c(F)c(F)c1 ZINC000062719303 527209134 /nfs/dbraw/zinc/20/91/34/527209134.db2.gz ZYJGQDWJAQVVEG-JTQLQIEISA-N 1 0 258.287 2.417 10 0 CEAERO Cc1nc2sccn2c1C[NH2+][C@H](C)CN1CCCC1 ZINC000049150775 527211379 /nfs/dbraw/zinc/21/13/79/527211379.db2.gz JENNNDRAIMFMDH-LLVKDONJSA-N 1 0 278.425 2.278 10 0 CEAERO Cc1nc[nH]c1C[NH2+]Cc1ccccc1-n1cccn1 ZINC000054796981 527213606 /nfs/dbraw/zinc/21/36/06/527213606.db2.gz AEBXMSXCJUTBNY-UHFFFAOYSA-N 1 0 267.336 2.194 10 0 CEAERO [NH3+]C[C@@H]1CC[C@@H](COCc2ccccc2Cl)O1 ZINC000052623074 527218445 /nfs/dbraw/zinc/21/84/45/527218445.db2.gz MCLIQPLHDOYBHW-RYUDHWBXSA-N 1 0 255.745 2.363 10 0 CEAERO [NH3+]C[C@H](c1ccc2c(c1)OCO2)N1Cc2ccccc2C1 ZINC000050910659 527230417 /nfs/dbraw/zinc/23/04/17/527230417.db2.gz ZUGWRDZBMSMZDT-OAHLLOKOSA-N 1 0 282.343 2.431 10 0 CEAERO Cn1cc(C[C@H](C[NH3+])Cc2cccc(Cl)c2)cn1 ZINC000052948012 527232174 /nfs/dbraw/zinc/23/21/74/527232174.db2.gz CQCPEFAEJIWIFR-GFCCVEGCSA-N 1 0 263.772 2.434 10 0 CEAERO [NH3+]Cc1cc(COc2ccc(F)cc2F)ccn1 ZINC000068751177 527247657 /nfs/dbraw/zinc/24/76/57/527247657.db2.gz SHGPAPQJJNXSBP-UHFFFAOYSA-N 1 0 250.248 2.398 10 0 CEAERO [NH3+]Cc1ccc(OCC(=O)N2Cc3ccccc3C2)cc1 ZINC000050910372 527255839 /nfs/dbraw/zinc/25/58/39/527255839.db2.gz AQSLTAIHWRWONN-UHFFFAOYSA-N 1 0 282.343 2.067 10 0 CEAERO [NH3+]Cc1nc(COc2cc(F)cc(F)c2)cs1 ZINC000054934511 527266139 /nfs/dbraw/zinc/26/61/39/527266139.db2.gz YMPLWLSEQKJBRI-UHFFFAOYSA-N 1 0 256.277 2.459 10 0 CEAERO NNc1cc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)cc[nH+]1 ZINC000051090913 527271684 /nfs/dbraw/zinc/27/16/84/527271684.db2.gz HLMQGXOTZJWSMF-WCQYABFASA-N 1 0 274.368 2.162 10 0 CEAERO Cn1cc(Sc2cc(C(N)=[NH2+])c3ccccc3n2)cn1 ZINC000068798449 527292617 /nfs/dbraw/zinc/29/26/17/527292617.db2.gz MYWFCIGBLWPIAB-UHFFFAOYSA-N 1 0 283.360 2.404 10 0 CEAERO [NH3+][C@@H](CC[C@@H]1CCCCO1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000069388871 527330929 /nfs/dbraw/zinc/33/09/29/527330929.db2.gz WXMAARULDXKYOH-RYUDHWBXSA-N 1 0 275.352 2.205 10 0 CEAERO [NH3+][C@@H](Cn1ncccc1=O)c1ccc2ccccc2c1 ZINC000061402824 527337590 /nfs/dbraw/zinc/33/75/90/527337590.db2.gz DKCFHIFWXIHRRS-HNNXBMFYSA-N 1 0 265.316 2.097 10 0 CEAERO [NH3+][C@@H](Cc1ccccn1)c1ccc2c(c1)OCCCO2 ZINC000055206097 527337628 /nfs/dbraw/zinc/33/76/28/527337628.db2.gz QEJGBHAPTLZAJR-AWEZNQCLSA-N 1 0 270.332 2.485 10 0 CEAERO [NH3+][C@@H](Cn1ncc2ccccc21)c1ccc2c(c1)OCO2 ZINC000050525528 527338057 /nfs/dbraw/zinc/33/80/57/527338057.db2.gz MAZXIBFDJBJMTO-ZDUSSCGKSA-N 1 0 281.315 2.465 10 0 CEAERO [NH3+][C@@H](c1ccc2c(c1)OCCCO2)C1CCOCC1 ZINC000061671386 527339249 /nfs/dbraw/zinc/33/92/49/527339249.db2.gz YNQZXDACJMNDPR-OAHLLOKOSA-N 1 0 263.337 2.274 10 0 CEAERO [NH3+][C@@H](c1nc2c(s1)CCCC2)C1CCOCC1 ZINC000052179410 527340654 /nfs/dbraw/zinc/34/06/54/527340654.db2.gz FXXDNNHAKAABRA-GFCCVEGCSA-N 1 0 252.383 2.448 10 0 CEAERO [NH3+][C@@H]1CC(=O)N(C2CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000062209217 527340815 /nfs/dbraw/zinc/34/08/15/527340815.db2.gz UJKVZEMWIPBBRR-DGCLKSJQSA-N 1 0 250.729 2.103 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@H]1NC(=O)c1cccc(F)c1 ZINC000063212154 527341431 /nfs/dbraw/zinc/34/14/31/527341431.db2.gz AKIVSXMZUTVJJT-CHWSQXEVSA-N 1 0 250.317 2.216 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)COc1cccc(Cl)c1 ZINC000051018587 527342994 /nfs/dbraw/zinc/34/29/94/527342994.db2.gz LGVFLSUADLEFGY-OLZOCXBDSA-N 1 0 282.771 2.105 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1ccc2ncccc2c1 ZINC000061416147 527343118 /nfs/dbraw/zinc/34/31/18/527343118.db2.gz CWIHTDBDJGEAPA-HIFRSBDPSA-N 1 0 269.348 2.235 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)c1cccc2ncccc21 ZINC000061416110 527395944 /nfs/dbraw/zinc/39/59/44/527395944.db2.gz QMGVSKOJMMXOMH-ZFWWWQNUSA-N 1 0 269.348 2.235 10 0 CEAERO Nc1c(F)cccc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062976099 527435417 /nfs/dbraw/zinc/43/54/17/527435417.db2.gz KPTUYSRMDXIDSU-LBPRGKRZSA-N 1 0 263.360 2.473 10 0 CEAERO O=c1[nH]c(C[NH2+]C2CCC2)nc2cc(Cl)ccc21 ZINC000052210413 527438404 /nfs/dbraw/zinc/43/84/04/527438404.db2.gz SBFZURDBHZZHJY-UHFFFAOYSA-N 1 0 263.728 2.219 10 0 CEAERO Nc1cc2c(cc1NCC[NH+]1CCCCC1)NC(=O)CC2 ZINC000049574662 527462984 /nfs/dbraw/zinc/46/29/84/527462984.db2.gz IPVOVSVXVYERCF-UHFFFAOYSA-N 1 0 288.395 2.051 10 0 CEAERO Cn1ccnc1[C@H]([NH3+])Cc1ccccc1Br ZINC000069029865 527463722 /nfs/dbraw/zinc/46/37/22/527463722.db2.gz ACZMPFXCTARHGO-LLVKDONJSA-N 1 0 280.169 2.425 10 0 CEAERO Cc1ncsc1CCOCc1cccnc1C[NH3+] ZINC000061657547 527490433 /nfs/dbraw/zinc/49/04/33/527490433.db2.gz KTEPPWLPYGGADN-UHFFFAOYSA-N 1 0 263.366 2.065 10 0 CEAERO OC1(Cc2ccc(F)c(Br)c2)CC[NH2+]CC1 ZINC000055189720 527511438 /nfs/dbraw/zinc/51/14/38/527511438.db2.gz LRFTXIWCISWAPW-UHFFFAOYSA-N 1 0 288.160 2.245 10 0 CEAERO Nc1cccc(N2CC[NH+](CCc3cccnc3)CC2)c1 ZINC000063222968 527518795 /nfs/dbraw/zinc/51/87/95/527518795.db2.gz RWNMLNBAVQPDDA-UHFFFAOYSA-N 1 0 282.391 2.029 10 0 CEAERO Nc1cnn(CC[N@H+](Cc2ccccc2)C2CC2)c1 ZINC000050614707 527538765 /nfs/dbraw/zinc/53/87/65/527538765.db2.gz IKDQFTQVJSICDY-UHFFFAOYSA-N 1 0 256.353 2.130 10 0 CEAERO Cc1nn(C)c(N2CCCO[C@H](C)C2)c1C[NH2+]C(C)(C)C ZINC000062738341 527675803 /nfs/dbraw/zinc/67/58/03/527675803.db2.gz YRYDIIKZXHYNCR-GFCCVEGCSA-N 1 0 294.443 2.232 10 0 CEAERO FC(F)Oc1cccc(-c2cc(N3CC[NH2+]CC3)n[nH]2)c1 ZINC000062669981 527696843 /nfs/dbraw/zinc/69/68/43/527696843.db2.gz AXQLMDXUMUEKRL-UHFFFAOYSA-N 1 0 294.305 2.088 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000175877752 528500384 /nfs/dbraw/zinc/50/03/84/528500384.db2.gz NDDXMPIAFDAMOO-MCIONIFRSA-N 1 0 252.402 2.125 10 0 CEAERO CC(C)c1cc(N2CCC([NH3+])CC2)nc(Cl)n1 ZINC000073735168 535369545 /nfs/dbraw/zinc/36/95/45/535369545.db2.gz ZQGVPKXVSLDFDF-UHFFFAOYSA-N 1 0 254.765 2.181 10 0 CEAERO CC[NH2+][C@H](C)[C@H]1CCCCN1c1nc(C)cnc1C ZINC000088057511 535515714 /nfs/dbraw/zinc/51/57/14/535515714.db2.gz ZKFOZWNONWGCNU-TZMCWYRMSA-N 1 0 262.401 2.450 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C)CN1c1cc(OC)ccc1OC ZINC000083479459 535825197 /nfs/dbraw/zinc/82/51/97/535825197.db2.gz BLCZAIXOOVHKHA-NWDGAFQWSA-N 1 0 264.369 2.281 10 0 CEAERO CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)C1CC[NH2+]CC1 ZINC000262119772 536565894 /nfs/dbraw/zinc/56/58/94/536565894.db2.gz JKHMMMZUDRMYGA-XHDPSFHLSA-N 1 0 294.370 2.018 10 0 CEAERO COc1cc(N2CCC[C@@H](C[NH2+]CC(C)C)C2)nc(C)n1 ZINC000090787321 536829024 /nfs/dbraw/zinc/82/90/24/536829024.db2.gz GIOJQITUVQEUCY-AWEZNQCLSA-N 1 0 292.427 2.256 10 0 CEAERO COc1cccc2c1N(C(=O)[C@@H]1CCC[C@H]1C[NH3+])CCC2 ZINC000089458032 536958744 /nfs/dbraw/zinc/95/87/44/536958744.db2.gz ISIJRPGNHFHZET-UONOGXRCSA-N 1 0 288.391 2.349 10 0 CEAERO CC(C)(C)OC(=O)N1CC([C@H]2CCCC[NH2+]C2)C1 ZINC000714789840 538844965 /nfs/dbraw/zinc/84/49/65/538844965.db2.gz IQKFBGNHYLJHJI-NSHDSACASA-N 1 0 254.374 2.243 10 0 CEAERO [NH3+][C@@H]1C[C@H](C(F)(F)F)S(=O)(=O)c2ccc(Cl)cc21 ZINC000675059435 570365344 /nfs/dbraw/zinc/36/53/44/570365344.db2.gz ILTJYJXTBFTPLV-VXNVDRBHSA-N 1 0 299.701 2.448 10 0 CEAERO CC(C)(C)OC(=O)c1cnc([C@H]2CCC[NH2+]C2)o1 ZINC000675075231 567024632 /nfs/dbraw/zinc/02/46/32/567024632.db2.gz IHCNMDQCLNCVGE-VIFPVBQESA-N 1 0 252.314 2.097 10 0 CEAERO C[C@H](N1CCC[C@@]12C[NH+]1CCC2CC1)C(F)(F)F ZINC000757129565 574825976 /nfs/dbraw/zinc/82/59/76/574825976.db2.gz LVRYKXMKZVVWEK-JQWIXIFHSA-N 1 0 262.319 2.497 10 0 CEAERO CCCN(c1nnc(C(F)F)s1)[C@H]1CC[NH2+]C1 ZINC000261567619 628940370 /nfs/dbraw/zinc/94/03/70/628940370.db2.gz ZYAZGPUNQSYZRM-ZETCQYMHSA-N 1 0 262.329 2.054 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)COC1CCCCC1 ZINC000176979942 625334890 /nfs/dbraw/zinc/33/48/90/625334890.db2.gz BORVNWWYRRKGTG-AWEZNQCLSA-N 1 0 282.428 2.278 10 0 CEAERO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cc(C)cc(Br)c1 ZINC000757183858 622956528 /nfs/dbraw/zinc/95/65/28/622956528.db2.gz IFPYTQSUQLPNEC-NEPJUHHUSA-N 1 0 298.180 2.234 10 0 CEAERO CS[C@@H]1CC[C@H]([NH2+]C[C@H](O)COCc2ccco2)C1 ZINC000300643392 622957604 /nfs/dbraw/zinc/95/76/04/622957604.db2.gz KVDKJSZQNHDSIP-SGMGOOAPSA-N 1 0 285.409 2.031 10 0 CEAERO Cc1nn(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)c(=S)s1 ZINC000247159982 622969275 /nfs/dbraw/zinc/96/92/75/622969275.db2.gz SOAGFZDNDYQTBG-MWLCHTKSSA-N 1 0 284.454 2.109 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cn1nc(C)sc1=S ZINC000177163194 623100971 /nfs/dbraw/zinc/10/09/71/623100971.db2.gz JXDPLRYHOWTREF-LLVKDONJSA-N 1 0 286.470 2.356 10 0 CEAERO CCOC(=O)c1ccc(N[C@H](C)[C@@H]2CCC[NH2+]C2)nc1 ZINC000050163950 623328495 /nfs/dbraw/zinc/32/84/95/623328495.db2.gz VTQXZLCANWLPHK-VXGBXAGGSA-N 1 0 277.368 2.058 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCCOC(C)(C)C ZINC000674907890 623351484 /nfs/dbraw/zinc/35/14/84/623351484.db2.gz GGAPCNHNOKKGML-KBPBESRZSA-N 1 0 254.418 2.360 10 0 CEAERO COC(=O)C[C@@H]([NH3+])c1cscc1Br ZINC000238336916 623481680 /nfs/dbraw/zinc/48/16/80/623481680.db2.gz UFRZFPXWEBPZFU-SSDOTTSWSA-N 1 0 264.144 2.074 10 0 CEAERO C[C@H]1C[C@H](C[NH3+])CN1c1ncccc1C(F)(F)F ZINC000216205416 623678026 /nfs/dbraw/zinc/67/80/26/623678026.db2.gz ILOJZFGGUKVUCW-DTWKUNHWSA-N 1 0 259.275 2.274 10 0 CEAERO Cc1ccc(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)cc1Cl ZINC000235632222 625680559 /nfs/dbraw/zinc/68/05/59/625680559.db2.gz POBQFAAJEZXGOH-CABZTGNLSA-N 1 0 252.745 2.068 10 0 CEAERO C[C@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2)C[C@H]1[NH3+] ZINC000235655750 625689492 /nfs/dbraw/zinc/68/94/92/625689492.db2.gz JXTKZTQPTJUAAF-WRWORJQWSA-N 1 0 273.163 2.413 10 0 CEAERO Cc1cc(O[C@@H](C)C(=O)N2CCC[C@H]([NH3+])C2)ccc1Cl ZINC000158319477 624519587 /nfs/dbraw/zinc/51/95/87/624519587.db2.gz DBDFQIRGXIBAHG-RYUDHWBXSA-N 1 0 296.798 2.365 10 0 CEAERO C[C@H](c1ccccc1F)N(C)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000235279418 624701133 /nfs/dbraw/zinc/70/11/33/624701133.db2.gz DXFGCLXBKTVVKM-NQBHXWOUSA-N 1 0 264.344 2.201 10 0 CEAERO CO[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2NC(=O)C(C)=C2CCC2)C1 ZINC000888076865 624702579 /nfs/dbraw/zinc/70/25/79/624702579.db2.gz OTEMSGDGSKONSD-XHSDSOJGSA-N 1 0 292.423 2.245 10 0 CEAERO C[C@@H]1CN(Cc2ccc(F)cc2Br)C[C@@H]1[NH3+] ZINC000235361761 624714888 /nfs/dbraw/zinc/71/48/88/624714888.db2.gz HETMPIFJEUDUPZ-PELKAZGASA-N 1 0 287.176 2.367 10 0 CEAERO COc1cc(CN2CC[C@@H]([NH3+])[C@H]2C)ccc1OC(F)F ZINC000261641923 624970256 /nfs/dbraw/zinc/97/02/56/624970256.db2.gz CJHYBBGEJVIAAJ-MWLCHTKSSA-N 1 0 286.322 2.218 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1c1nc([C@H]2CCCCS2)no1 ZINC000235271975 625202592 /nfs/dbraw/zinc/20/25/92/625202592.db2.gz OWJRSAAWPVXZPY-OPRDCNLKSA-N 1 0 253.371 2.351 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)[C@@H]2C[NH2+]C[C@H]2C)s1 ZINC000235297502 625259904 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[NH3+]CCc1nnc(-c2cc(Cl)ccc2F)s1 ZINC000082567681 178098841 /nfs/dbraw/zinc/09/88/41/178098841.db2.gz ZEFBCYPXBCVLKT-UHFFFAOYSA-N 1 0 257.721 2.499 10 0 CEAERO [NH3+]CCc1cc(F)ccc1-n1cc(Br)cn1 ZINC000082612152 178125967 /nfs/dbraw/zinc/12/59/67/178125967.db2.gz UJGRIHOWZNEOSJ-UHFFFAOYSA-N 1 0 284.132 2.275 10 0 CEAERO Cc1cc(CC[NH3+])ccc1Sc1nncs1 ZINC000082617391 178127158 /nfs/dbraw/zinc/12/71/58/178127158.db2.gz LSCAPWSWDSNEBH-UHFFFAOYSA-N 1 0 251.380 2.499 10 0 CEAERO CS(=O)(=O)c1ccc([C@H]([NH3+])C2CCCC2)cc1 ZINC000082619735 178128524 /nfs/dbraw/zinc/12/85/24/178128524.db2.gz GFUQDZDQDLLGNZ-CYBMUJFWSA-N 1 0 253.367 2.280 10 0 CEAERO CC[C@H]1CSC(NCCOCC(F)(F)F)=[NH+]1 ZINC000082627775 178140329 /nfs/dbraw/zinc/14/03/29/178140329.db2.gz CMRVAONASRQJDQ-ZETCQYMHSA-N 1 0 256.293 2.036 10 0 CEAERO C[C@@H]1C[C@@H]1CN(C)Cc1[nH+]c(NN)ccc1Cl ZINC000082650042 178141676 /nfs/dbraw/zinc/14/16/76/178141676.db2.gz JBENRDNEFCKQCR-RKDXNWHRSA-N 1 0 254.765 2.108 10 0 CEAERO CC[C@H](C)[C@H]([NH3+])c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000034939133 361799154 /nfs/dbraw/zinc/79/91/54/361799154.db2.gz OPIVTJSOFLQCET-SDBXPKJASA-N 1 0 261.325 2.380 10 0 CEAERO Cn1cc([C@H]([NH3+])c2cc(F)ccc2Br)cn1 ZINC000034957682 361800108 /nfs/dbraw/zinc/80/01/08/361800108.db2.gz ILBHGOJHEGZNHD-NSHDSACASA-N 1 0 284.132 2.370 10 0 CEAERO C[C@H](CC(N)=O)[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000124180138 365646293 /nfs/dbraw/zinc/64/62/93/365646293.db2.gz PLJJDNHJHNAOSX-PWSUYJOCSA-N 1 0 262.353 2.142 10 0 CEAERO C[C@@H]([NH3+])[C@H](CO)Sc1ccc(Br)cc1 ZINC000082987972 178332387 /nfs/dbraw/zinc/33/23/87/178332387.db2.gz GRJGRXSJIJLHKR-XCBNKYQSSA-N 1 0 276.199 2.249 10 0 CEAERO COc1ccc([C@@H](O)[C@@H](C)C[NH3+])cc1Br ZINC000083021701 178334265 /nfs/dbraw/zinc/33/42/65/178334265.db2.gz FZIHEALCTWJEPU-CPCISQLKSA-N 1 0 274.158 2.086 10 0 CEAERO [NH3+]C[C@@H]1CN(C(=O)C2CC=CC2)C[C@H]1c1ccccc1 ZINC000335501098 212180797 /nfs/dbraw/zinc/18/07/97/212180797.db2.gz CLPIKOVPRLWBBH-CVEARBPZSA-N 1 0 270.376 2.154 10 0 CEAERO C[C@@]([NH3+])(CO)CSc1cccc(Br)c1 ZINC000082902421 178328983 /nfs/dbraw/zinc/32/89/83/178328983.db2.gz DXXLAWUOCUQZGN-SNVBAGLBSA-N 1 0 276.199 2.251 10 0 CEAERO [NH3+]Cc1ccc(F)cc1CSc1nncs1 ZINC000082865042 178329165 /nfs/dbraw/zinc/32/91/65/178329165.db2.gz VWJOSLWWHKIAPK-UHFFFAOYSA-N 1 0 255.343 2.428 10 0 CEAERO [NH3+]C[C@@H](O)CCSc1ccc(Br)cc1 ZINC000082917437 178329551 /nfs/dbraw/zinc/32/95/51/178329551.db2.gz KUGJWEYEHKIYKQ-VIFPVBQESA-N 1 0 276.199 2.251 10 0 CEAERO C[NH2+][C@H](CCO)c1ccc(F)c(Br)c1 ZINC000082918199 178330075 /nfs/dbraw/zinc/33/00/75/178330075.db2.gz RKJIDFIOICMKPE-SNVBAGLBSA-N 1 0 262.122 2.231 10 0 CEAERO C[NH2+][C@@H](CCO)c1ccc(F)c(Br)c1 ZINC000082918198 178330180 /nfs/dbraw/zinc/33/01/80/178330180.db2.gz RKJIDFIOICMKPE-JTQLQIEISA-N 1 0 262.122 2.231 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C)CN1CCc1cccc(F)c1 ZINC000083383572 178386210 /nfs/dbraw/zinc/38/62/10/178386210.db2.gz UFSBPDFKWPKIOA-WFASDCNBSA-N 1 0 250.361 2.441 10 0 CEAERO C[NH2+][C@@H](C)C(=O)c1cc(Br)ccc1F ZINC000083256670 178372405 /nfs/dbraw/zinc/37/24/05/178372405.db2.gz OEMYYJZUUDIKKF-LURJTMIESA-N 1 0 260.106 2.379 10 0 CEAERO [NH3+][C@H]1CCCCC[C@@H]1N1CCc2ccccc2C1=O ZINC000096601855 185107663 /nfs/dbraw/zinc/10/76/63/185107663.db2.gz OADHGNNJXXIXKF-GJZGRUSLSA-N 1 0 258.365 2.345 10 0 CEAERO COCCC[N@@H+](Cc1ccc(C)cc1)C[C@H](C)O ZINC000036094997 361828315 /nfs/dbraw/zinc/82/83/15/361828315.db2.gz KDQRBTLILBYBCG-AWEZNQCLSA-N 1 0 251.370 2.214 10 0 CEAERO C[C@@H]1[NH2+]CCO[C@H]1c1cccc(Br)c1 ZINC000096884376 185120625 /nfs/dbraw/zinc/12/06/25/185120625.db2.gz BACMQQRWZKODEZ-GZMMTYOYSA-N 1 0 256.143 2.499 10 0 CEAERO C[C@H]1C[NH2+]C[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000096958511 185141430 /nfs/dbraw/zinc/14/14/30/185141430.db2.gz FPINZJWMLCTLKJ-SMDDNHRTSA-N 1 0 254.374 2.243 10 0 CEAERO [NH3+][C@@H]1CCC(=O)Nc2ccc(Br)cc21 ZINC000096958284 185141908 /nfs/dbraw/zinc/14/19/08/185141908.db2.gz MNYFWBQINGNVKA-MRVPVSSYSA-N 1 0 255.115 2.181 10 0 CEAERO CC(C)(O)C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000037693810 361923133 /nfs/dbraw/zinc/92/31/33/361923133.db2.gz PVDJVVZMNHQEDW-UHFFFAOYSA-N 1 0 268.788 2.233 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000096958583 185142573 /nfs/dbraw/zinc/14/25/73/185142573.db2.gz UNWNLPIFWJPVTN-NEPJUHHUSA-N 1 0 254.374 2.386 10 0 CEAERO Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H](CO)CC(C)C ZINC000040777752 361998591 /nfs/dbraw/zinc/99/85/91/361998591.db2.gz VYOSLLHWEBVKCI-JKSUJKDBSA-N 1 0 295.423 2.040 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](C)CSC ZINC000175086400 529406072 /nfs/dbraw/zinc/40/60/72/529406072.db2.gz XHTYVPCZPSTVMA-YNEHKIRRSA-N 1 0 285.457 2.006 10 0 CEAERO Cc1[nH+]cc2n1CC[C@@H](c1nc(-c3cncs3)no1)C2 ZINC000329585077 282177562 /nfs/dbraw/zinc/17/75/62/282177562.db2.gz RBMFBJJFIMPQAO-SECBINFHSA-N 1 0 287.348 2.428 10 0 CEAERO [NH3+][C@@H]1C[C@]12CNc1c2cc(Cl)cc1Br ZINC000725247597 539192170 /nfs/dbraw/zinc/19/21/70/539192170.db2.gz RTGMZZRVFJYVHT-PSASIEDQSA-N 1 0 273.561 2.497 10 0 CEAERO CC(C)NC(=O)NC[C@@H]([NH3+])C1CCC(C(C)C)CC1 ZINC000725254975 539200607 /nfs/dbraw/zinc/20/06/07/539200607.db2.gz MBYZKZZMUROMST-JXQTWKCFSA-N 1 0 269.433 2.484 10 0 CEAERO CCCCNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])CC1 ZINC000725262652 539211257 /nfs/dbraw/zinc/21/12/57/539211257.db2.gz JQKFAHLVPLPNRB-ZJUUUORDSA-N 1 0 281.322 2.098 10 0 CEAERO CC(C)S(=O)(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000725264334 539212899 /nfs/dbraw/zinc/21/28/99/539212899.db2.gz HVBQRILPMZQLLK-UHFFFAOYSA-N 1 0 256.371 2.031 10 0 CEAERO CCCCNC(=O)N1CCCc2cc(CC[NH3+])ccc21 ZINC000725265005 539213096 /nfs/dbraw/zinc/21/30/96/539213096.db2.gz NOAHOIHYMNJNTA-UHFFFAOYSA-N 1 0 275.396 2.450 10 0 CEAERO COC[C@H]([NH2+][C@@H](CN(C)C)c1ccccc1)C1CC1 ZINC000126038829 187212209 /nfs/dbraw/zinc/21/22/09/187212209.db2.gz MMOYKFCYNXZGNA-HOTGVXAUSA-N 1 0 262.397 2.304 10 0 CEAERO C[C@H](NC(=O)[C@H]1C[C@H](C)CC[NH2+]1)c1cccs1 ZINC000126132774 187218807 /nfs/dbraw/zinc/21/88/07/187218807.db2.gz UAJGBUMYVZWCOL-OUAUKWLOSA-N 1 0 252.383 2.313 10 0 CEAERO CN(c1ncccc1Br)C1CC[NH2+]CC1 ZINC000211256054 539255515 /nfs/dbraw/zinc/25/55/15/539255515.db2.gz RSUCXIMMAZVMJB-UHFFFAOYSA-N 1 0 270.174 2.032 10 0 CEAERO C[C@H](NC(=O)CC1([NH3+])CC1)c1cccc(Cl)c1 ZINC000398194240 539261596 /nfs/dbraw/zinc/26/15/96/539261596.db2.gz BZEVYXNFJPASNG-VIFPVBQESA-N 1 0 252.745 2.399 10 0 CEAERO CC(C)c1nsc(N2CCC[C@H](C)[C@@H]2C[NH3+])n1 ZINC000227061832 539267846 /nfs/dbraw/zinc/26/78/46/539267846.db2.gz XVEGMVNRSRRWNT-UWVGGRQHSA-N 1 0 254.403 2.225 10 0 CEAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000310663508 539279056 /nfs/dbraw/zinc/27/90/56/539279056.db2.gz KMMRJUACMDZSOG-WDEREUQCSA-N 1 0 269.307 2.048 10 0 CEAERO COc1cc([C@@H]([NH3+])CO)ccc1OCc1ccccc1 ZINC000041409547 362033858 /nfs/dbraw/zinc/03/38/58/362033858.db2.gz CNPCDJGSLHUZQL-AWEZNQCLSA-N 1 0 273.332 2.266 10 0 CEAERO [NH3+]C1CCC(C(=O)NCCc2c[nH]c3ccccc23)CC1 ZINC000040852646 362006741 /nfs/dbraw/zinc/00/67/41/362006741.db2.gz BFZMZDMRDFSXHY-UHFFFAOYSA-N 1 0 285.391 2.344 10 0 CEAERO CCC(C)(CC)C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000134753973 539283221 /nfs/dbraw/zinc/28/32/21/539283221.db2.gz HGMWYBUDLOGBGW-AWEZNQCLSA-N 1 0 298.471 2.364 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)[C@@H]1CCSC1 ZINC000126734241 365721817 /nfs/dbraw/zinc/72/18/17/365721817.db2.gz MGKLOAMJAAVUFA-ZIAGYGMSSA-N 1 0 299.484 2.254 10 0 CEAERO O=C(CC[C@@H]1CCC[NH2+]C1)N[C@H]1CCOc2ccccc21 ZINC000043588733 362147826 /nfs/dbraw/zinc/14/78/26/362147826.db2.gz SPFMDUWGSIAAGV-ZFWWWQNUSA-N 1 0 288.391 2.406 10 0 CEAERO COc1ccc([C@H](O)C[NH3+])cc1OCc1ccccc1 ZINC000032120414 343411409 /nfs/dbraw/zinc/41/14/09/343411409.db2.gz JJBPZTLYONVMMO-CQSZACIVSA-N 1 0 273.332 2.266 10 0 CEAERO COc1ccc2c(c1)-c1c(cnn1C[C@@H](C)[NH3+])CC2 ZINC000033827772 343418138 /nfs/dbraw/zinc/41/81/38/343418138.db2.gz KCFYPWYDTZRWGE-SNVBAGLBSA-N 1 0 257.337 2.005 10 0 CEAERO CC(C)C[C@@H]([NH3+])C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000037019310 343425656 /nfs/dbraw/zinc/42/56/56/343425656.db2.gz MORCWKRQLZDNLM-CQSZACIVSA-N 1 0 272.352 2.184 10 0 CEAERO COc1ccc(C[NH2+][C@H]2CCC[C@@H](O)C2)c(OC)c1OC ZINC000037164398 343426027 /nfs/dbraw/zinc/42/60/27/343426027.db2.gz QLNVQJRXESGHGN-QWHCGFSZSA-N 1 0 295.379 2.106 10 0 CEAERO O[C@H](C[NH2+]C[C@H]1CC=CCC1)COCc1ccco1 ZINC000045630314 343486747 /nfs/dbraw/zinc/48/67/47/343486747.db2.gz KYJUMSQGEWZNDR-UONOGXRCSA-N 1 0 265.353 2.103 10 0 CEAERO CC[C@H](NC(=O)[C@@H]1CCC[C@H]1C[NH3+])c1nccs1 ZINC000251204829 539320615 /nfs/dbraw/zinc/32/06/15/539320615.db2.gz GTTOKEDHERBTRA-AXFHLTTASA-N 1 0 267.398 2.085 10 0 CEAERO O=C(NCCCC[NH+]1CCCC1)c1ccccc1F ZINC000044456344 343472014 /nfs/dbraw/zinc/47/20/14/343472014.db2.gz LYHLSFUYIJVDHT-UHFFFAOYSA-N 1 0 264.344 2.432 10 0 CEAERO CCN(CCc1ccccc1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054308026 343587210 /nfs/dbraw/zinc/58/72/10/343587210.db2.gz ALMLVLTYDOBRNG-MRXNPFEDSA-N 1 0 274.408 2.467 10 0 CEAERO CC(=O)Nc1ccc(F)c(NC(=O)C2(C[NH3+])CCCC2)c1 ZINC000127945951 187342632 /nfs/dbraw/zinc/34/26/32/187342632.db2.gz PSIYHPCYUSLZOV-UHFFFAOYSA-N 1 0 293.342 2.242 10 0 CEAERO Cc1cc2ccccc2nc1N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000228376544 539339223 /nfs/dbraw/zinc/33/92/23/539339223.db2.gz VUGQEUQLWHUNLI-SWLSCSKDSA-N 1 0 271.364 2.096 10 0 CEAERO CC(C)(C[NH3+])C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000127975830 187344828 /nfs/dbraw/zinc/34/48/28/187344828.db2.gz BUIDEGZYOFPLDY-ZDUSSCGKSA-N 1 0 296.798 2.225 10 0 CEAERO CCc1nc(CN(C)C(=O)[C@H]2CCC[C@@H]2C[NH3+])cs1 ZINC000328493606 539351364 /nfs/dbraw/zinc/35/13/64/539351364.db2.gz TVQLNOJRAWFLTD-PWSUYJOCSA-N 1 0 281.425 2.039 10 0 CEAERO C[C@@H]1C[C@]2(C=CC(=O)N2c2cccc(F)c2)CC[NH2+]1 ZINC000071603059 343801829 /nfs/dbraw/zinc/80/18/29/343801829.db2.gz MSHAGNFMSJIZNP-ABAIWWIYSA-N 1 0 260.312 2.239 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)COc2ccccc2Cl)C1 ZINC000048753510 362302064 /nfs/dbraw/zinc/30/20/64/362302064.db2.gz LWNBZYOIQZLPFJ-GFCCVEGCSA-N 1 0 296.798 2.319 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCCc2ccc(OC(F)F)cc2)C1 ZINC000091539625 344167344 /nfs/dbraw/zinc/16/73/44/344167344.db2.gz RXXMDFJVNYBWSY-VXGBXAGGSA-N 1 0 298.333 2.074 10 0 CEAERO CC(C)[C@H]([NH3+])C(=O)N1CC[C@@]2(CC[C@H](CCl)C2)C1 ZINC000095087997 344236175 /nfs/dbraw/zinc/23/61/75/344236175.db2.gz ZMJWYIZCNOYBBH-SGMGOOAPSA-N 1 0 272.820 2.227 10 0 CEAERO Cc1cc(C[NH2+]C2CCS(=O)CC2)sc1C ZINC000083633126 178651058 /nfs/dbraw/zinc/65/10/58/178651058.db2.gz FWIUYKBLIUDGRH-UHFFFAOYSA-N 1 0 257.424 2.366 10 0 CEAERO CCc1c(=O)[nH]c2ccccc2c1OCC1CC[NH2+]CC1 ZINC000114921060 344281364 /nfs/dbraw/zinc/28/13/64/344281364.db2.gz LOSAGAHYKGKDEH-UHFFFAOYSA-N 1 0 286.375 2.469 10 0 CEAERO [NH3+]Cc1cc(F)cc(CN2C(=O)c3ccccc3C2=O)c1 ZINC000128745456 344338477 /nfs/dbraw/zinc/33/84/77/344338477.db2.gz NLQNNQGVYUUHIV-UHFFFAOYSA-N 1 0 284.290 2.081 10 0 CEAERO CC(C)c1nsc(NC[C@@]2(C)CCC[NH2+]C2)n1 ZINC000129289544 344342604 /nfs/dbraw/zinc/34/26/04/344342604.db2.gz LYSBXNRFZYPNHO-LBPRGKRZSA-N 1 0 254.403 2.463 10 0 CEAERO C[C@@]1(C(=O)Nc2nc3c(s2)CCC3)CCCC[NH2+]1 ZINC000136148078 344384196 /nfs/dbraw/zinc/38/41/96/344384196.db2.gz JPTRXSRWADDRGQ-ZDUSSCGKSA-N 1 0 265.382 2.103 10 0 CEAERO CCCCCCCCCC(=O)OC[C@H]1C[NH2+]CCN1 ZINC000137031670 344386869 /nfs/dbraw/zinc/38/68/69/344386869.db2.gz KNVSUBFDNZRNQK-CQSZACIVSA-N 1 0 270.417 2.232 10 0 CEAERO C[C@H](Oc1ccc(F)c(Br)c1)C(N)=[NH2+] ZINC000137610787 344387899 /nfs/dbraw/zinc/38/78/99/344387899.db2.gz DUUFYFZUPDTNBE-YFKPBYRVSA-N 1 0 261.094 2.291 10 0 CEAERO [NH3+][C@H]1c2ccccc2CN(Cc2ccccc2)C1=O ZINC000138952073 344391521 /nfs/dbraw/zinc/39/15/21/344391521.db2.gz UQOGCKLGAPOGGZ-HNNXBMFYSA-N 1 0 252.317 2.229 10 0 CEAERO COc1cccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2CO)n1 ZINC000143654942 344406227 /nfs/dbraw/zinc/40/62/27/344406227.db2.gz JCIYXQUNIYISDV-CVEARBPZSA-N 1 0 298.386 2.298 10 0 CEAERO COC(=O)c1ccc(NCc2ccc(C[NH3+])cc2)nc1C ZINC000147696987 344412859 /nfs/dbraw/zinc/41/28/59/344412859.db2.gz NLABLPHRXDCUAU-UHFFFAOYSA-N 1 0 285.347 2.247 10 0 CEAERO COc1ccc(Oc2cc(C[NH3+])ccn2)cc1OC ZINC000150334299 344417762 /nfs/dbraw/zinc/41/77/62/344417762.db2.gz WUPJTMVFJDWASX-UHFFFAOYSA-N 1 0 260.293 2.350 10 0 CEAERO C[C@@H](C[NH3+])Sc1ccc(N)cc1Br ZINC000160255320 344458327 /nfs/dbraw/zinc/45/83/27/344458327.db2.gz HUHXABLGJCPLEZ-LURJTMIESA-N 1 0 261.188 2.471 10 0 CEAERO C[C@H]([NH3+])[C@@H](O)c1ccc(Br)cc1Cl ZINC000161040409 344463187 /nfs/dbraw/zinc/46/31/87/344463187.db2.gz LTRYGYQQHNPGAV-SSDLBLMSSA-N 1 0 264.550 2.483 10 0 CEAERO [NH3+]Cc1cc(-c2ccc(C(F)(F)F)nc2)ncn1 ZINC000168570131 344480421 /nfs/dbraw/zinc/48/04/21/344480421.db2.gz GUVJJZHGUBAILY-UHFFFAOYSA-N 1 0 254.215 2.016 10 0 CEAERO Cc1ccccc1C1(C(=O)N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000170868348 344491640 /nfs/dbraw/zinc/49/16/40/344491640.db2.gz KIPREXFRJYWFFR-AWEZNQCLSA-N 1 0 272.392 2.189 10 0 CEAERO CCC[NH+]1CCC(N(C)C(=O)N[C@H](C)[C@@H]2CCCO2)CC1 ZINC000171042490 344494710 /nfs/dbraw/zinc/49/47/10/344494710.db2.gz MOZCMCCUTJSERJ-HIFRSBDPSA-N 1 0 297.443 2.070 10 0 CEAERO OC[C@@]1(Cc2ccc(Br)s2)CCC[NH2+]1 ZINC000215620929 344534293 /nfs/dbraw/zinc/53/42/93/344534293.db2.gz CYUGFJBSPOKTQZ-JTQLQIEISA-N 1 0 276.199 2.168 10 0 CEAERO CC(C)[C@H]1CN(c2cnc3ccc(F)cc3n2)CC[NH2+]1 ZINC000217909319 344535764 /nfs/dbraw/zinc/53/57/64/344535764.db2.gz LEJRKMWSGKKXJF-CQSZACIVSA-N 1 0 274.343 2.203 10 0 CEAERO CC(C)Oc1cc(N2CC[C@@H]([NH+](C)C)C2)ccc1N ZINC000218335494 344536326 /nfs/dbraw/zinc/53/63/26/344536326.db2.gz GXJUTZXVOUKJMC-CYBMUJFWSA-N 1 0 263.385 2.196 10 0 CEAERO C[C@H]([NH3+])CCNc1ncc(Br)cc1F ZINC000235489940 344591595 /nfs/dbraw/zinc/59/15/95/344591595.db2.gz RMWFTWDSTATQPE-LURJTMIESA-N 1 0 262.126 2.132 10 0 CEAERO C[C@H]1SCC[C@]12C[NH+]=C(N)N2Cc1ccccc1 ZINC000235682698 344591953 /nfs/dbraw/zinc/59/19/53/344591953.db2.gz PLQVGPRAWYVTIJ-RISCZKNCSA-N 1 0 261.394 2.081 10 0 CEAERO [NH3+][C@@H]1CCOC[C@@H]1Cc1cc(Br)cs1 ZINC000236307926 344595531 /nfs/dbraw/zinc/59/55/31/344595531.db2.gz MHYARFYXAKFSCC-OIBJUYFYSA-N 1 0 276.199 2.417 10 0 CEAERO CCOC(=O)C[C@@H](O)C[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000234012074 344582862 /nfs/dbraw/zinc/58/28/62/344582862.db2.gz YUWYVWHNLHNHBZ-IUODEOHRSA-N 1 0 279.380 2.214 10 0 CEAERO Cc1n[nH]cc1CCC[NH2+][C@@H]1CCCc2c1cnn2C ZINC000050182635 362408130 /nfs/dbraw/zinc/40/81/30/362408130.db2.gz VHYPQBZYAIUBIK-CQSZACIVSA-N 1 0 273.384 2.051 10 0 CEAERO COc1ccc(Br)c(N[C@H](C)C[NH3+])c1 ZINC000234827428 344587614 /nfs/dbraw/zinc/58/76/14/344587614.db2.gz UVYTXRFTSMKEAV-SSDOTTSWSA-N 1 0 259.147 2.217 10 0 CEAERO COc1ccccc1NC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000234909575 344588321 /nfs/dbraw/zinc/58/83/21/344588321.db2.gz LCLVXXUWGZKRSV-CYBMUJFWSA-N 1 0 262.353 2.412 10 0 CEAERO CCCCOc1ccc(C[NH2+][C@@H]2CCCNC2=O)cc1 ZINC000050394756 362418585 /nfs/dbraw/zinc/41/85/85/362418585.db2.gz ZVQCEKBZSBMQMI-OAHLLOKOSA-N 1 0 276.380 2.234 10 0 CEAERO CC(C)(C)OC(=O)NCCCCC[NH2+]CCC#N ZINC000238139172 344606193 /nfs/dbraw/zinc/60/61/93/344606193.db2.gz PMGFFRDGZWCHOE-UHFFFAOYSA-N 1 0 255.362 2.185 10 0 CEAERO COc1cc([C@H]([NH3+])CF)cc(Br)c1O ZINC000238424733 344606602 /nfs/dbraw/zinc/60/66/02/344606602.db2.gz RKSSBTXSKSHPCE-SSDOTTSWSA-N 1 0 264.094 2.133 10 0 CEAERO [NH3+]Cc1nc2cc(Cl)c(Br)cc2[nH]1 ZINC000238636845 344607126 /nfs/dbraw/zinc/60/71/26/344607126.db2.gz IOCNBJLZAVXQGO-UHFFFAOYSA-N 1 0 260.522 2.438 10 0 CEAERO [NH3+][C@H]1CCc2ccc(I)cc21 ZINC000238630769 344607197 /nfs/dbraw/zinc/60/71/97/344607197.db2.gz CVIYADYNCIMOEL-VIFPVBQESA-N 1 0 259.090 2.237 10 0 CEAERO [NH3+]Cc1ccc(OC(F)(F)F)c(Br)n1 ZINC000238682362 344607542 /nfs/dbraw/zinc/60/75/42/344607542.db2.gz GKJBTPVMUYWBMM-UHFFFAOYSA-N 1 0 271.036 2.201 10 0 CEAERO CO[C@H](C)c1cccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)c1 ZINC000262630889 344655026 /nfs/dbraw/zinc/65/50/26/344655026.db2.gz WENQHELSIOUAHD-WXHSDQCUSA-N 1 0 262.353 2.460 10 0 CEAERO CC[C@@H]1C[C@H]1[C@@H]([NH3+])c1c(Br)cnn1C ZINC000307138460 344720331 /nfs/dbraw/zinc/72/03/31/344720331.db2.gz ZSZZJSBHMSDJOZ-ZXFLCMHBSA-N 1 0 258.163 2.229 10 0 CEAERO C[C@@H]1CCC[C@]1([NH3+])c1ncc(Br)cn1 ZINC000307252298 344721120 /nfs/dbraw/zinc/72/11/20/344721120.db2.gz RWYVCAKGTYCMNS-GMSGAONNSA-N 1 0 256.147 2.213 10 0 CEAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](O)COCc1cccs1 ZINC000300583107 344700655 /nfs/dbraw/zinc/70/06/55/344700655.db2.gz LGGHGPPHFYFYRU-BZPMIXESSA-N 1 0 269.410 2.404 10 0 CEAERO CC1(Oc2nc(Br)cs2)CC[NH2+]CC1 ZINC000306563661 344714353 /nfs/dbraw/zinc/71/43/53/344714353.db2.gz VWEHCUABSQQOBL-UHFFFAOYSA-N 1 0 277.187 2.427 10 0 CEAERO Nc1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000306674063 344716218 /nfs/dbraw/zinc/71/62/18/344716218.db2.gz PHLSYXOKJPEHDO-OAHLLOKOSA-N 1 0 268.364 2.350 10 0 CEAERO C[NH2+][C@@H](C)c1nc2cncc(Br)c2[nH]1 ZINC000306744061 344716872 /nfs/dbraw/zinc/71/68/72/344716872.db2.gz HZSGGCUKVUIEQN-YFKPBYRVSA-N 1 0 255.119 2.001 10 0 CEAERO C[C@H]([NH3+])[C@@](C)(O)c1cscc1Br ZINC000306906848 344718529 /nfs/dbraw/zinc/71/85/29/344718529.db2.gz CJBJOVIXNJBGKS-YLWLKBPMSA-N 1 0 250.161 2.065 10 0 CEAERO C[C@@H](CC(N)=[NH2+])N(C)C(=O)Nc1ccc(F)cc1 ZINC000083757585 178742642 /nfs/dbraw/zinc/74/26/42/178742642.db2.gz GGMSBTGXLGXXEV-QMMMGPOBSA-N 1 0 252.293 2.004 10 0 CEAERO C[NH2+][C@H](C)CNc1cc(Br)c(C#N)cc1F ZINC000380484944 344823042 /nfs/dbraw/zinc/82/30/42/344823042.db2.gz XWNNEXJUZBRLKM-SSDOTTSWSA-N 1 0 286.148 2.480 10 0 CEAERO Cc1cc(C)c(C[NH2+][C@H]2CCCN(CCO)C2)cc1C ZINC000384425982 344828562 /nfs/dbraw/zinc/82/85/62/344828562.db2.gz UJXABWROFONTHM-KRWDZBQOSA-N 1 0 276.424 2.158 10 0 CEAERO CC(C)C1CCC([NH2+][C@H]2CCCN(CCO)C2)CC1 ZINC000384800881 344828985 /nfs/dbraw/zinc/82/89/85/344828985.db2.gz YKLCOFMRMGFAFS-GPANFISMSA-N 1 0 268.445 2.248 10 0 CEAERO CC(C)(C)c1nc(CN2CC[C@H]3OCC[NH2+][C@@H]3C2)cs1 ZINC000404095657 344877507 /nfs/dbraw/zinc/87/75/07/344877507.db2.gz XVCMBSCSCGOBKA-CHWSQXEVSA-N 1 0 295.452 2.003 10 0 CEAERO CC1(C)CCC(C[N@@H+]2CC[C@H]3OCCN[C@@H]3C2)CC1 ZINC000404188270 344878261 /nfs/dbraw/zinc/87/82/61/344878261.db2.gz GRINXYNDHWNVHM-HUUCEWRRSA-N 1 0 266.429 2.266 10 0 CEAERO Cc1cc(C)c(C[N@@H+]2CC[C@H]3OCCN[C@@H]3C2)c(C)c1 ZINC000404118365 344878277 /nfs/dbraw/zinc/87/82/77/344878277.db2.gz LXAOPEKLHYNWMC-IAGOWNOFSA-N 1 0 274.408 2.175 10 0 CEAERO CC(C)(C)OC(=O)NC[C@H]1C[NH2+]CC[C@H]1C(F)(F)F ZINC000521399023 344928146 /nfs/dbraw/zinc/92/81/46/344928146.db2.gz QYQCZITWJGCWFA-RKDXNWHRSA-N 1 0 282.306 2.299 10 0 CEAERO Cn1cc(C[NH2+]CCO)c2cc(C(F)(F)F)c(F)cc21 ZINC000584602982 344963116 /nfs/dbraw/zinc/96/31/16/344963116.db2.gz HVFQVEFRUCUGIT-UHFFFAOYSA-N 1 0 290.260 2.418 10 0 CEAERO Cc1nnc(CSc2cccc([C@H](C)[NH3+])c2)n1C ZINC000084123112 178798031 /nfs/dbraw/zinc/79/80/31/178798031.db2.gz DQCQRFPOIWGHPF-VIFPVBQESA-N 1 0 262.382 2.436 10 0 CEAERO CNc1c(N)c[nH+]c2ccc(OCC(F)(F)F)cc21 ZINC000584881955 344996215 /nfs/dbraw/zinc/99/62/15/344996215.db2.gz IDAQIWDPNQGOBI-UHFFFAOYSA-N 1 0 271.242 2.222 10 0 CEAERO Cc1nn(C2CC[NH2+]CC2)cc1C(=O)OC(C)(C)C ZINC000584881463 344996598 /nfs/dbraw/zinc/99/65/98/344996598.db2.gz VSHGBLFMHLYSPA-UHFFFAOYSA-N 1 0 265.357 2.071 10 0 CEAERO C[NH2+]CC1CCN(c2ncccc2Br)CC1 ZINC000053664184 362497425 /nfs/dbraw/zinc/49/74/25/362497425.db2.gz YGUZELYBEVHBLC-UHFFFAOYSA-N 1 0 284.201 2.280 10 0 CEAERO C[NH2+][C@H](C)C(=O)N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000054073102 362509180 /nfs/dbraw/zinc/50/91/80/362509180.db2.gz GGVVVRZKBHXHFD-DTWKUNHWSA-N 1 0 272.295 2.073 10 0 CEAERO COC(=O)c1ccc(C)c(NC(=O)C[C@H]2CCC[NH2+]C2)c1 ZINC000054306567 362525220 /nfs/dbraw/zinc/52/52/20/362525220.db2.gz KRWLGEANSMPNCX-GFCCVEGCSA-N 1 0 290.363 2.110 10 0 CEAERO C[NH2+][C@@H](C)CCc1c(Br)c(C)nn1C ZINC000084271603 178838070 /nfs/dbraw/zinc/83/80/70/178838070.db2.gz AAQARKHGTGBJOZ-ZETCQYMHSA-N 1 0 260.179 2.032 10 0 CEAERO CCn1nc(C[N@@H+]2CCC[C@@H](O)[C@@H]2C)c2ccccc21 ZINC000295105504 199347068 /nfs/dbraw/zinc/34/70/68/199347068.db2.gz VMNGJLLOJBFJDT-BLLLJJGKSA-N 1 0 273.380 2.401 10 0 CEAERO C[C@H](C[C@@](C)([NH2+]C1CC1)C(N)=O)SCc1ccco1 ZINC000084313931 178857277 /nfs/dbraw/zinc/85/72/77/178857277.db2.gz OVHIMVKEGOXZQD-QMTHXVAHSA-N 1 0 282.409 2.287 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1CNc1ncc(Br)cn1 ZINC000084317203 178857672 /nfs/dbraw/zinc/85/76/72/178857672.db2.gz BZDVBASYHHHCSG-DTWKUNHWSA-N 1 0 285.189 2.026 10 0 CEAERO C[NH2+][C@@H](C[C@@H]1CCS(=O)(=O)C1)c1ccc(C)cc1C ZINC000097133957 185543762 /nfs/dbraw/zinc/54/37/62/185543762.db2.gz ZPSDUDILNIEKHN-ZFWWWQNUSA-N 1 0 281.421 2.389 10 0 CEAERO C[NH2+][C@H](C)C[C@H](C)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000084356437 178867368 /nfs/dbraw/zinc/86/73/68/178867368.db2.gz IWFFYXFSLWJTHV-OLZOCXBDSA-N 1 0 269.410 2.464 10 0 CEAERO CC(C)[NH2+][C@@](C)(C[C@H](C)[N@H+](C)C[C@@H]1C[C@@H]1C)C(=O)[O-] ZINC000084359868 178869366 /nfs/dbraw/zinc/86/93/66/178869366.db2.gz HPRJUODGVHSWBR-ABHRYQDASA-N 1 0 270.417 2.194 10 0 CEAERO CCC(C)(C)O[C@@H](C)C[C@](C)([NH2+]C(C)C)C(N)=O ZINC000084367031 178874615 /nfs/dbraw/zinc/87/46/15/178874615.db2.gz LXHNGRARILLNGU-FZMZJTMJSA-N 1 0 258.406 2.212 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc2cc[nH]c2c1 ZINC000229583362 539472078 /nfs/dbraw/zinc/47/20/78/539472078.db2.gz GKBYAWJKNMLCSA-ZWNOBZJWSA-N 1 0 257.337 2.038 10 0 CEAERO [NH3+][C@H]1CC[C@@H](S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000084433517 178887456 /nfs/dbraw/zinc/88/74/56/178887456.db2.gz VJYVFZOVKXHAHD-GXSJLCMTSA-N 1 0 293.310 2.359 10 0 CEAERO C[NH2+]Cc1cc(Br)cnc1-n1ccnc1C ZINC000084544482 178899502 /nfs/dbraw/zinc/89/95/02/178899502.db2.gz DBMLFZHHXNRCHS-UHFFFAOYSA-N 1 0 281.157 2.058 10 0 CEAERO C[NH2+][C@H](CC[C@H]1CCCO1)Cc1c(C)nn(C)c1C ZINC000097236953 185570595 /nfs/dbraw/zinc/57/05/95/185570595.db2.gz CQHFEJMVJCRWKJ-ZIAGYGMSSA-N 1 0 265.401 2.127 10 0 CEAERO CCC[NH2+][C@H](Cc1ncnn1C)CC1CCSCC1 ZINC000097275207 185576054 /nfs/dbraw/zinc/57/60/54/185576054.db2.gz LOLAKRKAMXAFJG-ZDUSSCGKSA-N 1 0 282.457 2.259 10 0 CEAERO CCc1cc(C[C@H]([NH2+]C)[C@]2(C)CCCS2)n(C)n1 ZINC000097277020 185576924 /nfs/dbraw/zinc/57/69/24/185576924.db2.gz PKUSERZBCJQHFN-KBPBESRZSA-N 1 0 267.442 2.399 10 0 CEAERO CCc1cc(C[C@@H]([NH2+]C)c2cccnc2OC)n(CC)n1 ZINC000097279919 185578041 /nfs/dbraw/zinc/57/80/41/185578041.db2.gz MMYJJFCQDNQHIF-OAHLLOKOSA-N 1 0 288.395 2.372 10 0 CEAERO CC[NH2+][C@@H](c1ccnn1C)[C@@H]1CCc2cccnc21 ZINC000097305112 185582116 /nfs/dbraw/zinc/58/21/16/185582116.db2.gz BQRBNZIQZOLATO-IUODEOHRSA-N 1 0 256.353 2.196 10 0 CEAERO C[C@H]([NH2+]C1C[C@H](C)C[C@H](C)C1)C(=O)N1CCCC1 ZINC000084975711 178936830 /nfs/dbraw/zinc/93/68/30/178936830.db2.gz QBSHNRZEKRHZPD-WJLOJVBCSA-N 1 0 252.402 2.412 10 0 CEAERO CCC[NH2+][C@H](c1cnn(C)c1C)c1ccncc1F ZINC000097418057 185598948 /nfs/dbraw/zinc/59/89/48/185598948.db2.gz CBZQFBQOWNGKPV-AWEZNQCLSA-N 1 0 262.332 2.352 10 0 CEAERO CC(C)[NH2+][C@H]1CCN([C@H]2CC[C@@H](C)[C@@H](C)C2)C1=O ZINC000085059595 178945107 /nfs/dbraw/zinc/94/51/07/178945107.db2.gz VXGDNCJSWSLGMX-RFGFWPKPSA-N 1 0 252.402 2.410 10 0 CEAERO CCOc1cncc([C@@H](C[C@H](C)COC)[NH2+]C)c1 ZINC000097381582 185594274 /nfs/dbraw/zinc/59/42/74/185594274.db2.gz CGWSDXBGYSKWHN-SMDDNHRTSA-N 1 0 252.358 2.413 10 0 CEAERO CC(C)[NH2+]Cc1nnnn1[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000085059472 178945134 /nfs/dbraw/zinc/94/51/34/178945134.db2.gz XSXKPCZDBHXICW-GRYCIOLGSA-N 1 0 251.378 2.168 10 0 CEAERO Cn1cnnc1CC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000085129967 178952857 /nfs/dbraw/zinc/95/28/57/178952857.db2.gz MYFLUGCIYMBHIK-UWVGGRQHSA-N 1 0 276.306 2.068 10 0 CEAERO [NH3+][C@@H](c1cnnn1-c1ccccc1)[C@H]1CCSC1 ZINC000097423631 185600201 /nfs/dbraw/zinc/60/02/01/185600201.db2.gz BMXFWVUCJNSRKE-GXFFZTMASA-N 1 0 260.366 2.020 10 0 CEAERO O=S1(=O)CC[C@@H](C[NH2+][C@H]2CCCC[C@H]2C(F)(F)F)C1 ZINC000085133529 178954409 /nfs/dbraw/zinc/95/44/09/178954409.db2.gz PXIWWRMSYDRDKW-AXFHLTTASA-N 1 0 299.358 2.132 10 0 CEAERO C[NH2+][C@@H](c1ccnn1C)[C@@H]1CC(C)(C)OC1(C)C ZINC000097460077 185610418 /nfs/dbraw/zinc/61/04/18/185610418.db2.gz HLJBUROCOJBEIE-CMPLNLGQSA-N 1 0 251.374 2.274 10 0 CEAERO CCc1ccc(N(C)C[C@](CO)([NH2+]C)C2CC2)cc1 ZINC000085214857 178978689 /nfs/dbraw/zinc/97/86/89/178978689.db2.gz VDPNCDARVBSXCV-MRXNPFEDSA-N 1 0 262.397 2.046 10 0 CEAERO CCCN(CC(F)(F)F)[C@@H](C)C[C@@](C)(CO)[NH2+]CC ZINC000085241704 178983040 /nfs/dbraw/zinc/98/30/40/178983040.db2.gz BEYMMRQQXOCRPY-RYUDHWBXSA-N 1 0 284.366 2.400 10 0 CEAERO C[C@H](O)c1c(F)cccc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094461965 136513664 /nfs/dbraw/zinc/51/36/64/136513664.db2.gz RJVGUDUPKDJMDE-NWDGAFQWSA-N 1 0 264.344 2.163 10 0 CEAERO CCN(C[C@@H](CO)[NH2+]C(C)C)c1ccc(F)cc1 ZINC000085214465 178978799 /nfs/dbraw/zinc/97/87/99/178978799.db2.gz YLFNEZSBPJFXHH-ZDUSSCGKSA-N 1 0 254.349 2.011 10 0 CEAERO CC[C@]1(C)CN(c2cc(OC)ccc2F)CC[NH2+]1 ZINC000094857092 136514925 /nfs/dbraw/zinc/51/49/25/136514925.db2.gz BBDOZWRUPZHAGR-CQSZACIVSA-N 1 0 252.333 2.413 10 0 CEAERO CC[NH2+][C@](C)(CO)C[C@@H](C)n1ncc2ccccc21 ZINC000085262615 178992420 /nfs/dbraw/zinc/99/24/20/178992420.db2.gz HYOOUDJBPNSYDD-DOMZBBRYSA-N 1 0 261.369 2.348 10 0 CEAERO CC(C)([C@H](CCC[C@@H]1CCCO1)NN)[NH+]1CCCC1 ZINC000097581337 185629877 /nfs/dbraw/zinc/62/98/77/185629877.db2.gz BMINCEFHJZBDKI-KGLIPLIRSA-N 1 0 269.433 2.042 10 0 CEAERO CCCOc1cncc([C@@H](NN)C(C)(C)[NH+]2CCCC2)c1 ZINC000097581485 185630118 /nfs/dbraw/zinc/63/01/18/185630118.db2.gz CTZYCHAXZJUQFG-OAHLLOKOSA-N 1 0 292.427 2.249 10 0 CEAERO CC[C@@](C)([C@H](CCc1ccc(OC)cc1)NN)[NH+](C)C ZINC000097582875 185631046 /nfs/dbraw/zinc/63/10/46/185631046.db2.gz PYVVSBYWKQEOMC-HOTGVXAUSA-N 1 0 279.428 2.190 10 0 CEAERO C[C@]([NH3+])(CO)CCCCOc1ccc(F)cc1F ZINC000085283096 179000902 /nfs/dbraw/zinc/00/09/02/179000902.db2.gz XGNAUJTUIADJEN-CYBMUJFWSA-N 1 0 259.296 2.224 10 0 CEAERO CCOc1ccc(O[C@H](C)C[C@@](C)(CO)[NH2+]C)cc1 ZINC000085283345 179001622 /nfs/dbraw/zinc/00/16/22/179001622.db2.gz PBEAAZZWHWMEHQ-DOMZBBRYSA-N 1 0 267.369 2.213 10 0 CEAERO CC(C)[NH2+][C@@](CO)(COc1ccccc1F)C1CC1 ZINC000085284471 179002159 /nfs/dbraw/zinc/00/21/59/179002159.db2.gz NIYHROKTUINACC-HNNXBMFYSA-N 1 0 267.344 2.344 10 0 CEAERO CCC(C)(C)c1ccc(OC[C@H](CO)[NH2+]C)cc1 ZINC000085284505 179002326 /nfs/dbraw/zinc/00/23/26/179002326.db2.gz ROQGLACXSOTKMH-ZDUSSCGKSA-N 1 0 251.370 2.333 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)Cn1ccnc1-c1cccs1 ZINC000085264603 178994851 /nfs/dbraw/zinc/99/48/51/178994851.db2.gz KLVWQPMUSKHSJL-AWEZNQCLSA-N 1 0 279.409 2.361 10 0 CEAERO CCC[NH2+][C@](C)(CO)COc1ccc(C)cc1OC ZINC000085286037 179003335 /nfs/dbraw/zinc/00/33/35/179003335.db2.gz UCNYMLNEFCFVLN-OAHLLOKOSA-N 1 0 267.369 2.133 10 0 CEAERO CCC[NH2+][C@@](C)(CO)CCOc1cccc(F)c1 ZINC000085285424 179003491 /nfs/dbraw/zinc/00/34/91/179003491.db2.gz VKHLFNHDXKMZFN-CQSZACIVSA-N 1 0 255.333 2.345 10 0 CEAERO CC(C)(C)c1cccc(OCC[C@](C)([NH3+])CO)c1 ZINC000085286512 179004085 /nfs/dbraw/zinc/00/40/85/179004085.db2.gz CQJUGYNYBSYMDY-HNNXBMFYSA-N 1 0 251.370 2.463 10 0 CEAERO C[C@@H]1CC(OC[C@@](C)(CO)[NH2+]C2CC2)C[C@@H](C)C1 ZINC000085287513 179004574 /nfs/dbraw/zinc/00/45/74/179004574.db2.gz PKNBONJRXQWKDX-SLEUVZQESA-N 1 0 255.402 2.331 10 0 CEAERO CCC[NH2+][C@](C)(CO)C[C@H](C)Sc1nccc(C)n1 ZINC000085287898 179005169 /nfs/dbraw/zinc/00/51/69/179005169.db2.gz TZFGPOURUILYIC-JSGCOSHPSA-N 1 0 283.441 2.406 10 0 CEAERO C[NH2+][C@](CO)(CSc1ccccc1F)C1CC1 ZINC000085291003 179006510 /nfs/dbraw/zinc/00/65/10/179006510.db2.gz JIAOEBWEMQRZHG-CYBMUJFWSA-N 1 0 255.358 2.278 10 0 CEAERO CC[NH2+][C@@](C)(CO)C[C@H](C)SC1CCOCC1 ZINC000085290210 179006640 /nfs/dbraw/zinc/00/66/40/179006640.db2.gz VWTTXRAXRNTMIY-WCQYABFASA-N 1 0 261.431 2.038 10 0 CEAERO C[NH2+][C@@](C)(CO)CCSc1ccc(OC)cc1 ZINC000085291865 179007189 /nfs/dbraw/zinc/00/71/89/179007189.db2.gz VVJXPVJVKVPQQX-CYBMUJFWSA-N 1 0 255.383 2.148 10 0 CEAERO C[NH2+][C@@](CO)(CSc1ccc(OC)cc1)C1CC1 ZINC000085291957 179007676 /nfs/dbraw/zinc/00/76/76/179007676.db2.gz NMTCMOLPTVLVBP-AWEZNQCLSA-N 1 0 267.394 2.148 10 0 CEAERO CCC[NH2+][C@@](CO)(CSc1nnc(C)s1)C1CC1 ZINC000085297109 179008222 /nfs/dbraw/zinc/00/82/22/179008222.db2.gz HYGKFMPXQGSRGO-LBPRGKRZSA-N 1 0 287.454 2.079 10 0 CEAERO [NH3+]C[C@@](O)(CSc1ccccn1)c1ccccc1 ZINC000085308576 179013139 /nfs/dbraw/zinc/01/31/39/179013139.db2.gz PSSGZBBGEVOPKY-CQSZACIVSA-N 1 0 260.362 2.020 10 0 CEAERO [NH3+]CCc1cc(F)c(N2CCSCC2)c(F)c1 ZINC000104270760 136526351 /nfs/dbraw/zinc/52/63/51/136526351.db2.gz XSLKHARHKBCRDJ-UHFFFAOYSA-N 1 0 258.337 2.019 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1c1nc(-c2ccc(O)cc2)no1 ZINC000085325434 179018493 /nfs/dbraw/zinc/01/84/93/179018493.db2.gz WFIKGBIACOKGCK-RYUDHWBXSA-N 1 0 259.309 2.427 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2C1 ZINC000085356598 179030756 /nfs/dbraw/zinc/03/07/56/179030756.db2.gz CZOVWCPECPGFMP-HUUCEWRRSA-N 1 0 258.365 2.089 10 0 CEAERO C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085356530 179031018 /nfs/dbraw/zinc/03/10/18/179031018.db2.gz OWCRXEPNOLUANL-UBHSHLNASA-N 1 0 258.365 2.482 10 0 CEAERO CN(C)c1ccc(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000085359048 179031766 /nfs/dbraw/zinc/03/17/66/179031766.db2.gz AHBCNSIRGCQKDZ-ZIAGYGMSSA-N 1 0 261.369 2.209 10 0 CEAERO COC(=O)c1ccc(C)c(NC(=O)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000085360562 179032653 /nfs/dbraw/zinc/03/26/53/179032653.db2.gz UEBVADTWSVQWCU-QWHCGFSZSA-N 1 0 290.363 2.238 10 0 CEAERO C[C@@H](Cc1cccs1)NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085361756 179033797 /nfs/dbraw/zinc/03/37/97/179033797.db2.gz JQVMGWMVGKCQOD-UHTWSYAYSA-N 1 0 266.410 2.313 10 0 CEAERO COc1cc(Cl)c(NC(=O)[C@H]2CCC[C@@H]2[NH3+])cc1OC ZINC000085362342 179033945 /nfs/dbraw/zinc/03/39/45/179033945.db2.gz SUVVAVWIHIYMGI-WPRPVWTQSA-N 1 0 298.770 2.423 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000085365343 179035989 /nfs/dbraw/zinc/03/59/89/179035989.db2.gz PPLOGLRKVXLTKY-HBNTYKKESA-N 1 0 278.318 2.305 10 0 CEAERO COc1cc(Cl)c(NC(=O)[C@H]2CCC[C@H]2[NH3+])cc1OC ZINC000085362346 179033970 /nfs/dbraw/zinc/03/39/70/179033970.db2.gz SUVVAVWIHIYMGI-WCBMZHEXSA-N 1 0 298.770 2.423 10 0 CEAERO CN(C)c1ccc(Cl)cc1NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085363494 179034491 /nfs/dbraw/zinc/03/44/91/179034491.db2.gz DWKSBTOBKPGNTD-MNOVXSKESA-N 1 0 281.787 2.472 10 0 CEAERO CC(=O)Nc1cc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])ccc1C ZINC000085364937 179035780 /nfs/dbraw/zinc/03/57/80/179035780.db2.gz GIAJWQDRGYWDQB-CHWSQXEVSA-N 1 0 275.352 2.019 10 0 CEAERO CC[C@H]([NH3+])CSCc1c(Br)c(C)nn1C ZINC000085348715 179029636 /nfs/dbraw/zinc/02/96/36/179029636.db2.gz UDBZMTQNJSZJHY-QMMMGPOBSA-N 1 0 292.246 2.462 10 0 CEAERO [NH3+]C1(c2ncc(I)s2)CCCC1 ZINC000085352000 179029947 /nfs/dbraw/zinc/02/99/47/179029947.db2.gz HMMSWRJXKQLFNC-UHFFFAOYSA-N 1 0 294.161 2.476 10 0 CEAERO CN(Cc1ccc(F)cc1F)C(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085367747 179037560 /nfs/dbraw/zinc/03/75/60/179037560.db2.gz WHZKSONOOMCMPX-WCQYABFASA-N 1 0 268.307 2.051 10 0 CEAERO CN(CCOc1ccccc1Cl)C(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085367407 179037778 /nfs/dbraw/zinc/03/77/78/179037778.db2.gz SLMCRSQUGXKBSL-WCQYABFASA-N 1 0 296.798 2.305 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1cccc(F)c1F ZINC000085369830 179039524 /nfs/dbraw/zinc/03/95/24/179039524.db2.gz DULKXUMZQZKCJN-SCZZXKLOSA-N 1 0 254.280 2.421 10 0 CEAERO COc1ccc([C@@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])C2CC2)cc1 ZINC000085371936 179041818 /nfs/dbraw/zinc/04/18/18/179041818.db2.gz PHCOVKZSKXVABQ-PMPSAXMXSA-N 1 0 288.391 2.390 10 0 CEAERO CCCOC(=O)c1ccc(NC(=O)[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000085371489 179041826 /nfs/dbraw/zinc/04/18/26/179041826.db2.gz LSIRVNGQOHJPQQ-UONOGXRCSA-N 1 0 290.363 2.319 10 0 CEAERO COc1ccc(C)cc1CN(C)C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085371904 179041920 /nfs/dbraw/zinc/04/19/20/179041920.db2.gz ZGSFANMISYHPQN-ZIAGYGMSSA-N 1 0 276.380 2.089 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)Nc1cc(F)c(F)cc1F ZINC000085374306 179043643 /nfs/dbraw/zinc/04/36/43/179043643.db2.gz WJILBDFUAOTKMI-WKEGUHRASA-N 1 0 258.243 2.170 10 0 CEAERO C[C@@H]([NH3+])Cc1cc(F)c(N2CCSCC2)c(F)c1 ZINC000111490367 136532146 /nfs/dbraw/zinc/53/21/46/136532146.db2.gz AKTBXRMFHLYHTA-SECBINFHSA-N 1 0 272.364 2.408 10 0 CEAERO CCNC(=O)C[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000085433404 179060236 /nfs/dbraw/zinc/06/02/36/179060236.db2.gz XUYVYMIGBNWLNN-SECBINFHSA-N 1 0 263.366 2.083 10 0 CEAERO CCC[C@H]1CN(Cc2ccn([C@@H](C)CC)n2)CC[NH2+]1 ZINC000085434688 179061088 /nfs/dbraw/zinc/06/10/88/179061088.db2.gz FWMBNTJXIFRVQJ-KBPBESRZSA-N 1 0 264.417 2.428 10 0 CEAERO CO[C@H]1CCC[C@@H]([N@@H+]2CCNC3(CCCC3)C2)C1 ZINC000085435350 179061708 /nfs/dbraw/zinc/06/17/08/179061708.db2.gz BVIDTPBDVVRLBR-KGLIPLIRSA-N 1 0 252.402 2.162 10 0 CEAERO CCC(CC)n1ccc(CN2CC[NH2+]C(C)(C)C2)n1 ZINC000085435135 179062096 /nfs/dbraw/zinc/06/20/96/179062096.db2.gz LWLPYSRTHKBFKX-UHFFFAOYSA-N 1 0 264.417 2.428 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@H](C)CN1Cc1cccc(OC)n1 ZINC000085454171 179066751 /nfs/dbraw/zinc/06/67/51/179066751.db2.gz AZPONGXKHYEKKB-DOMZBBRYSA-N 1 0 263.385 2.053 10 0 CEAERO CCC[C@@H]1CN(Cc2ccccn2)[C@H](C2CC2)C[NH2+]1 ZINC000085455322 179067842 /nfs/dbraw/zinc/06/78/42/179067842.db2.gz BYAIOMAOBPGWTM-ZBFHGGJFSA-N 1 0 259.397 2.434 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BDGALORIBOFPQM-LSDHHAIUSA-N 1 0 266.429 2.410 10 0 CEAERO CC[C@]1(C)CN(CC(F)(F)F)[C@H](C2CC2)C[NH2+]1 ZINC000085495952 179082132 /nfs/dbraw/zinc/08/21/32/179082132.db2.gz AGRQPPBJHNVJDC-WDEREUQCSA-N 1 0 250.308 2.401 10 0 CEAERO CC(C)C[C@H]1C[NH2+]C(C)(C)CN1Cc1cnn(C)c1 ZINC000085470519 179075116 /nfs/dbraw/zinc/07/51/16/179075116.db2.gz SUTJGSOOVDMMKO-AWEZNQCLSA-N 1 0 264.417 2.019 10 0 CEAERO CO[C@H]1CCC[C@@H]([N@@H+]2CC(C)(C)NC[C@@H]2C2CC2)C1 ZINC000085470657 179075937 /nfs/dbraw/zinc/07/59/37/179075937.db2.gz SODTVCAHKZFSQI-QLFBSQMISA-N 1 0 266.429 2.406 10 0 CEAERO CC[C@H]1C[NH2+][C@](C)(CC)CN1Cc1cnn(CC)c1 ZINC000085494674 179081984 /nfs/dbraw/zinc/08/19/84/179081984.db2.gz UOSRYOZGKZAJCH-LSDHHAIUSA-N 1 0 264.417 2.256 10 0 CEAERO CC(C)OCC[N@@H+]1CC(C)(C)NC[C@]1(C)C1CC1 ZINC000085471540 179076425 /nfs/dbraw/zinc/07/64/25/179076425.db2.gz UZTJZPSXDJACMH-OAHLLOKOSA-N 1 0 254.418 2.264 10 0 CEAERO C[C@@H]1CN[C@H](c2ccccc2)C[N@@H+]1CC1CCOCC1 ZINC000085504863 179084749 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C[C@]1(C2CC2)CN(CC(F)F)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085516101 179087406 /nfs/dbraw/zinc/08/74/06/179087406.db2.gz ODHPEMXMCNQXTM-ZIAGYGMSSA-N 1 0 258.356 2.494 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C2CC2)CN1CCC(F)(F)F ZINC000085522490 179088382 /nfs/dbraw/zinc/08/83/82/179088382.db2.gz ZGHGIOMKJNVJON-MNOVXSKESA-N 1 0 250.308 2.401 10 0 CEAERO CCC[C@H]1CN[C@](C)(CC)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085495211 179082575 /nfs/dbraw/zinc/08/25/75/179082575.db2.gz ISGVXKSWAMNDFI-SOUVJXGZSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@]1(C)C[N@H+](C[C@@H]2CCOC2)C2(CCCC2)CN1 ZINC000085497157 179083806 /nfs/dbraw/zinc/08/38/06/179083806.db2.gz ADSJQDLIUALDPW-LSDHHAIUSA-N 1 0 266.429 2.410 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](c2ccccc2)CN1Cc1cnn(C)c1 ZINC000085505593 179084347 /nfs/dbraw/zinc/08/43/47/179084347.db2.gz GJOKGJCBYLONQU-SJORKVTESA-N 1 0 284.407 2.345 10 0 CEAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@H](CO)c1ccccc1 ZINC000063002812 362743021 /nfs/dbraw/zinc/74/30/21/362743021.db2.gz 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CC[C@@H]1CNC2(CCCC2)C[N@@H+]1[C@@H](C)CCOC ZINC000086268125 179262069 /nfs/dbraw/zinc/26/20/69/179262069.db2.gz LUDHBGIJOIPOAT-UONOGXRCSA-N 1 0 254.418 2.408 10 0 CEAERO CC[C@H]1CN[C@H](C(C)(C)C)C[N@@H+]1[C@@H]1CCCOC1 ZINC000086265166 179262150 /nfs/dbraw/zinc/26/21/50/179262150.db2.gz GFQWSDZFOZTCHQ-MJBXVCDLSA-N 1 0 254.418 2.264 10 0 CEAERO CC[C@@]1(C)CN(Cc2nc(C)cs2)CCC[NH2+]1 ZINC000086290050 179264974 /nfs/dbraw/zinc/26/49/74/179264974.db2.gz FKWBCRGQLWZRRS-ZDUSSCGKSA-N 1 0 253.415 2.416 10 0 CEAERO c1ccc([C@@H]2C[N@H+](C3CCOCC3)CCCN2)cc1 ZINC000086287278 179265009 /nfs/dbraw/zinc/26/50/09/179265009.db2.gz QQNIKBFDVZCUSE-INIZCTEOSA-N 1 0 260.381 2.202 10 0 CEAERO CC(C)[C@H]1CNC(C)(C)C[N@@H+]1CC[C@@H]1CCCO1 ZINC000086258822 179257223 /nfs/dbraw/zinc/25/72/23/179257223.db2.gz PYOXLSDWLIASAP-UONOGXRCSA-N 1 0 254.418 2.264 10 0 CEAERO CN1CCC[C@@H]([NH2+]Cc2ccc3ccccc3n2)C1 ZINC000086317576 179270357 /nfs/dbraw/zinc/27/03/57/179270357.db2.gz AYUNBODWKFTHSB-OAHLLOKOSA-N 1 0 255.365 2.419 10 0 CEAERO CC(C)C[C@H]1C[N@H+](C[C@@H]2CCCOC2)CCCN1 ZINC000086292458 179266696 /nfs/dbraw/zinc/26/66/96/179266696.db2.gz JMWWTPVBOZMBPJ-GJZGRUSLSA-N 1 0 254.418 2.123 10 0 CEAERO CC[C@H]1CN(C[C@@H]2Cc3ccccc3O2)CCC[NH2+]1 ZINC000086293858 179267532 /nfs/dbraw/zinc/26/75/32/179267532.db2.gz DITHFUDWNQXRBZ-GJZGRUSLSA-N 1 0 260.381 2.064 10 0 CEAERO CC(C)[C@H]1CN(C[C@@H]2Cc3ccccc3O2)CCC[NH2+]1 ZINC000086293901 179267662 /nfs/dbraw/zinc/26/76/62/179267662.db2.gz AXJHDYMHGQFXAV-JKSUJKDBSA-N 1 0 274.408 2.310 10 0 CEAERO CC[C@H]1CN(CCc2nc(C)cs2)CCC[NH2+]1 ZINC000086296773 179267755 /nfs/dbraw/zinc/26/77/55/179267755.db2.gz KIFFVUHQLOLZTK-LBPRGKRZSA-N 1 0 253.415 2.068 10 0 CEAERO Cc1cccc(CN2CCC[NH2+][C@@](C)(C3CC3)C2)n1 ZINC000086293954 179267803 /nfs/dbraw/zinc/26/78/03/179267803.db2.gz ZVWLABRXHLLOLN-MRXNPFEDSA-N 1 0 259.397 2.354 10 0 CEAERO CSCCN1CCC[NH2+][C@H](Cc2ccccc2)C1 ZINC000086298454 179269204 /nfs/dbraw/zinc/26/92/04/179269204.db2.gz KYQXYPTUFLWEIC-OAHLLOKOSA-N 1 0 264.438 2.256 10 0 CEAERO CCCC1(Cc2c(Br)c(C)nn2C)C[NH2+]C1 ZINC000086395669 179284983 /nfs/dbraw/zinc/28/49/83/179284983.db2.gz JQGJVVHOFBPNFC-UHFFFAOYSA-N 1 0 286.217 2.423 10 0 CEAERO CC[C@H]1CN(C(=O)c2ccc3c(c2)CCO3)[C@@H](CC)C[NH2+]1 ZINC000086447445 179295816 /nfs/dbraw/zinc/29/58/16/179295816.db2.gz KRULSTGKVMBQQJ-GJZGRUSLSA-N 1 0 288.391 2.224 10 0 CEAERO CC[C@@H]1CN(C(=O)c2cccc(C)c2O)[C@@H](CC)C[NH2+]1 ZINC000086445986 179294648 /nfs/dbraw/zinc/29/46/48/179294648.db2.gz PQLAMFVHDIAWFR-OLZOCXBDSA-N 1 0 276.380 2.303 10 0 CEAERO CC[C@H]1CN(C(=O)c2ccc(Cl)cn2)[C@@H](CC)C[NH2+]1 ZINC000086446650 179294723 /nfs/dbraw/zinc/29/47/23/179294723.db2.gz MFCBFOYJUCFBGY-RYUDHWBXSA-N 1 0 281.787 2.338 10 0 CEAERO CC[C@H]1CN(Cc2ccc3c(c2)OCCO3)[C@@H](CC)C[NH2+]1 ZINC000086445471 179294794 /nfs/dbraw/zinc/29/47/94/179294794.db2.gz FHFVRDVXMNRQEH-GJZGRUSLSA-N 1 0 290.407 2.420 10 0 CEAERO CC[NH2+]C[C@H](C)c1nc([C@H]2Cc3ccccc32)no1 ZINC000086486291 179302083 /nfs/dbraw/zinc/30/20/83/179302083.db2.gz IQHYSANZFFFGHH-GWCFXTLKSA-N 1 0 257.337 2.471 10 0 CEAERO NNc1cc(C2CC2)nc([C@@H]2Cc3ccccc32)[nH+]1 ZINC000086490653 179302263 /nfs/dbraw/zinc/30/22/63/179302263.db2.gz XPWXBJSDPGNBQK-GFCCVEGCSA-N 1 0 252.321 2.328 10 0 CEAERO [NH3+]CCCN(C1CCCCCC1)S(=O)(=O)CC1CC1 ZINC000086496296 179302715 /nfs/dbraw/zinc/30/27/15/179302715.db2.gz GXYFBLASZBXMQG-UHFFFAOYSA-N 1 0 288.457 2.100 10 0 CEAERO CCC(CC)NC(=O)[C@H](C)N1C[C@@H](CC)[NH2+]C[C@@H]1CC ZINC000086465270 179297089 /nfs/dbraw/zinc/29/70/89/179297089.db2.gz XRFPTWWNNGNDSE-CFVMTHIKSA-N 1 0 283.460 2.142 10 0 CEAERO CCc1nn(C)c(C/C=C/CC[NH2+]C)c1Br ZINC000086571175 179308543 /nfs/dbraw/zinc/30/85/43/179308543.db2.gz COSIEXPYXLKRNV-AATRIKPKSA-N 1 0 286.217 2.453 10 0 CEAERO C[NH2+]CC/C=C/Cc1c(Br)c(C)nn1C ZINC000086571050 179308660 /nfs/dbraw/zinc/30/86/60/179308660.db2.gz MZFSADMGHQQDSL-SNAWJCMRSA-N 1 0 272.190 2.199 10 0 CEAERO COc1ccc([C@H]2[C@@H]([NH3+])CCCN2C)cc1Cl ZINC000086585139 179309929 /nfs/dbraw/zinc/30/99/29/179309929.db2.gz KNYVELSKVAMFQS-AAEUAGOBSA-N 1 0 254.761 2.443 10 0 CEAERO CC(C)n1ccnc1CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334292155 539588801 /nfs/dbraw/zinc/58/88/01/539588801.db2.gz NCFDEWSDJAUUFW-HNNXBMFYSA-N 1 0 262.401 2.040 10 0 CEAERO Cc1nc(Sc2cc(C[NH3+])ccn2)nc(C)c1C ZINC000086644091 179315993 /nfs/dbraw/zinc/31/59/93/179315993.db2.gz HBHMGRYZGKFWDK-UHFFFAOYSA-N 1 0 260.366 2.407 10 0 CEAERO COC[C@H]([NH2+]Cc1[nH]nnc1-c1ccccc1)C(C)C ZINC000086696570 179320993 /nfs/dbraw/zinc/32/09/93/179320993.db2.gz ZUQHMNAHOYNWPX-AWEZNQCLSA-N 1 0 274.368 2.232 10 0 CEAERO COC(OC)[C@H]([NH3+])Cc1cc(F)cc(Br)c1 ZINC000086696432 179321134 /nfs/dbraw/zinc/32/11/34/179321134.db2.gz GEDPFFXFQVFKHO-SNVBAGLBSA-N 1 0 292.148 2.077 10 0 CEAERO COC[C@H](NC(=O)Nc1ccc([C@@H](C)[NH3+])cc1)C(C)C ZINC000086706950 179321999 /nfs/dbraw/zinc/32/19/99/179321999.db2.gz KHRRURLKORWJFK-RISCZKNCSA-N 1 0 279.384 2.499 10 0 CEAERO Cc1nc(SCc2ccc[nH+]c2NN)nc(C)c1C ZINC000086645115 179316409 /nfs/dbraw/zinc/31/64/09/179316409.db2.gz LWYLPBNVEXNKOH-UHFFFAOYSA-N 1 0 275.381 2.375 10 0 CEAERO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2S(C)(=O)=O)cc1 ZINC000086670695 179316930 /nfs/dbraw/zinc/31/69/30/179316930.db2.gz HRDDXSZCZAOLHD-KGLIPLIRSA-N 1 0 267.394 2.050 10 0 CEAERO CS(=O)(=O)[C@@H]1CCC[C@@H]1[NH2+]CCC1=CCCCC1 ZINC000086670809 179317979 /nfs/dbraw/zinc/31/79/79/179317979.db2.gz KDQZZFLZXKQNOZ-UONOGXRCSA-N 1 0 271.426 2.432 10 0 CEAERO C[C@H]([NH2+][C@H]1CCC[C@@H]1S(C)(=O)=O)c1cccc(F)c1 ZINC000086671741 179317993 /nfs/dbraw/zinc/31/79/93/179317993.db2.gz AFWNDTIXQKPNOU-BPNCWPANSA-N 1 0 285.384 2.442 10 0 CEAERO CS(=O)(=O)[C@H]1CCC[C@@H]1[NH2+]CCCc1ccccc1 ZINC000086671055 179318037 /nfs/dbraw/zinc/31/80/37/179318037.db2.gz ZHHZOEDFBNLKQG-GJZGRUSLSA-N 1 0 281.421 2.175 10 0 CEAERO CS(=O)(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000086675630 179318667 /nfs/dbraw/zinc/31/86/67/179318667.db2.gz UEGJZJYQRRIVLU-QWHCGFSZSA-N 1 0 289.347 2.020 10 0 CEAERO CS(=O)(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000086676157 179319229 /nfs/dbraw/zinc/31/92/29/179319229.db2.gz GYKFYBBJFOZAPP-VHSXEESVSA-N 1 0 293.841 2.457 10 0 CEAERO Nc1cc(Br)ccc1C[NH2+]C[C@@H]1CCOC1 ZINC000086706401 179322264 /nfs/dbraw/zinc/32/22/64/179322264.db2.gz ZVGMYZZZCOYBPC-VIFPVBQESA-N 1 0 285.185 2.157 10 0 CEAERO COC[C@H]([NH2+][C@H](C)c1ccc2c(c1)NC(=O)CO2)C(C)C ZINC000086695551 179320404 /nfs/dbraw/zinc/32/04/04/179320404.db2.gz OAZYJILVIACKFQ-RISCZKNCSA-N 1 0 292.379 2.339 10 0 CEAERO CCOC[C@H]([NH3+])Cc1cc(F)cc(Br)c1 ZINC000086696380 179320436 /nfs/dbraw/zinc/32/04/36/179320436.db2.gz GQMZWKDIFSADEF-LLVKDONJSA-N 1 0 276.149 2.495 10 0 CEAERO C[C@@H]1CC[C@H]([NH+]2CCC([N@@H+]3CCC[C@@H]3C(=O)[O-])CC2)C1 ZINC000086776255 179328992 /nfs/dbraw/zinc/32/89/92/179328992.db2.gz QFCLYHRIODVROM-VHDGCEQUSA-N 1 0 280.412 2.188 10 0 CEAERO C[C@@H]1CC[C@@H]([NH+]2CCC([N@@H+]3CCC[C@@H]3C(=O)[O-])CC2)C1 ZINC000086776259 179329010 /nfs/dbraw/zinc/32/90/10/179329010.db2.gz QFCLYHRIODVROM-BPLDGKMQSA-N 1 0 280.412 2.188 10 0 CEAERO CCN(Cc1cnc(Cl)s1)C1CC[NH2+]CC1 ZINC000086777796 179329069 /nfs/dbraw/zinc/32/90/69/179329069.db2.gz OAGIKNGKVRMQOW-UHFFFAOYSA-N 1 0 259.806 2.370 10 0 CEAERO CCCC1CCC(C[NH3+])(OCCCC(=O)NC)CC1 ZINC000086713410 179322655 /nfs/dbraw/zinc/32/26/55/179322655.db2.gz MJCZHIIODZMSLF-UHFFFAOYSA-N 1 0 270.417 2.217 10 0 CEAERO C[C@H]1CCC[C@@](C[NH3+])(OCC(=O)NCc2ccccc2)C1 ZINC000086712356 179322723 /nfs/dbraw/zinc/32/27/23/179322723.db2.gz GZGQYPUTMBGBOM-WMLDXEAASA-N 1 0 290.407 2.227 10 0 CEAERO CO[C@H](C)[C@@H](C)[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000128700372 187384790 /nfs/dbraw/zinc/38/47/90/187384790.db2.gz INJXGDOURXYGEL-NFAWXSAZSA-N 1 0 250.386 2.302 10 0 CEAERO CC(C)[NH+]1CCC([N@@H+]2CCC[C@@H](CCC(=O)[O-])C2)CC1 ZINC000086810030 179340970 /nfs/dbraw/zinc/34/09/70/179340970.db2.gz UGJOYXGSIXNUGG-AWEZNQCLSA-N 1 0 282.428 2.436 10 0 CEAERO Cc1nnc(SCC[NH2+]CC2CCCCC2)n1C ZINC000104011389 185882079 /nfs/dbraw/zinc/88/20/79/185882079.db2.gz PXYFNGPBCKIYAN-UHFFFAOYSA-N 1 0 268.430 2.386 10 0 CEAERO COc1ccc(C)cc1C[C@]1(O)CCC[N@H+](C)CC1 ZINC000086834168 179350725 /nfs/dbraw/zinc/35/07/25/179350725.db2.gz PHKKVBVVJCRCMC-INIZCTEOSA-N 1 0 263.381 2.393 10 0 CEAERO CC[N@@H+]1CCC[C@H](NCc2cnc(C)s2)CC1 ZINC000086842558 179353100 /nfs/dbraw/zinc/35/31/00/179353100.db2.gz DBLAVTXMLJJJAV-LBPRGKRZSA-N 1 0 253.415 2.416 10 0 CEAERO CCC[C@H](c1nccc(C2CC2)n1)N1CC[NH2+]CC1 ZINC000104061394 185889198 /nfs/dbraw/zinc/88/91/98/185889198.db2.gz NODHWVALSQSOQV-CQSZACIVSA-N 1 0 260.385 2.100 10 0 CEAERO CC(C)[N@@H+]1CCC[C@@H]([NH+](CC(=O)[O-])CC2CC2)CC1 ZINC000086868696 179362731 /nfs/dbraw/zinc/36/27/31/179362731.db2.gz NBCXZIQGQCWCCG-CQSZACIVSA-N 1 0 268.401 2.046 10 0 CEAERO CC[N@@H+]1CCC[C@](NC2CCCCC2)(C(=O)OC)CC1 ZINC000086850418 179358617 /nfs/dbraw/zinc/35/86/17/179358617.db2.gz YVIBSRRBVXYQRM-MRXNPFEDSA-N 1 0 282.428 2.326 10 0 CEAERO CC(C)[N@@H+]1CCC[C@](N)(c2noc(C(F)(F)F)n2)CC1 ZINC000086851784 179359087 /nfs/dbraw/zinc/35/90/87/179359087.db2.gz TZACBUCMEYNLLD-LLVKDONJSA-N 1 0 292.305 2.137 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH3+])c1cccc(C)c1 ZINC000086978635 179372431 /nfs/dbraw/zinc/37/24/31/179372431.db2.gz FAODQPDUYVPZST-CYBMUJFWSA-N 1 0 255.383 2.210 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH3+])CCc1ccccc1 ZINC000086979037 179372441 /nfs/dbraw/zinc/37/24/41/179372441.db2.gz JMABTILJBDAXAX-CQSZACIVSA-N 1 0 269.410 2.161 10 0 CEAERO CC[NH2+][C@H](CCCS(=O)(=O)CC)C1CCCC1 ZINC000086978982 179372775 /nfs/dbraw/zinc/37/27/75/179372775.db2.gz MAIGAGFDXWPSMU-CYBMUJFWSA-N 1 0 261.431 2.370 10 0 CEAERO CC[C@](C)([NH3+])c1nc([C@@H]2CSCCS2)no1 ZINC000086981382 179373034 /nfs/dbraw/zinc/37/30/34/179373034.db2.gz UJKXXCYWRCKPLX-XVKPBYJWSA-N 1 0 259.400 2.175 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH3+])Cc1ccc(C)c(C)c1 ZINC000086979465 179373113 /nfs/dbraw/zinc/37/31/13/179373113.db2.gz HOBLWVUWHUAMCV-HNNXBMFYSA-N 1 0 283.437 2.388 10 0 CEAERO CCN(CC)CC[NH2+][C@]1(CO)CCC[C@H](C)CC1 ZINC000086892959 179365877 /nfs/dbraw/zinc/36/58/77/179365877.db2.gz NKFOTTROGOCXQP-LSDHHAIUSA-N 1 0 256.434 2.249 10 0 CEAERO C[C@@H]1CCC[C@@](C[NH3+])(N(C)Cc2nccn2C)CC1 ZINC000086891361 179365880 /nfs/dbraw/zinc/36/58/80/179365880.db2.gz GGXAYXQRJJEZGX-UKRRQHHQSA-N 1 0 264.417 2.150 10 0 CEAERO C[C@@H]1SCCC[C@@]1(C[NH3+])NCc1cccs1 ZINC000086946371 179367903 /nfs/dbraw/zinc/36/79/03/179367903.db2.gz JBIBHGAISHYLAE-JQWIXIFHSA-N 1 0 256.440 2.451 10 0 CEAERO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCS(=O)(=O)C2)CC1 ZINC000086922020 179368038 /nfs/dbraw/zinc/36/80/38/179368038.db2.gz PICFBEJDECHBAA-HZSPNIEDSA-N 1 0 273.442 2.368 10 0 CEAERO CCCn1cc([C@H]([NH3+])[C@@H]2CSCCS2)cn1 ZINC000086984263 179373819 /nfs/dbraw/zinc/37/38/19/179373819.db2.gz IPEPAJLBOKNQQJ-QWRGUYRKSA-N 1 0 257.428 2.142 10 0 CEAERO COC(=O)[C@@]1(N2CC[NH2+]CC2)CCC[C@H](C(C)C)CC1 ZINC000086949872 179368597 /nfs/dbraw/zinc/36/85/97/179368597.db2.gz WCMYXFWEVMBBEV-GOEBONIOSA-N 1 0 282.428 2.040 10 0 CEAERO CC[C@]([NH3+])(CCCS(=O)(=O)CC)c1ccccc1 ZINC000086977405 179372143 /nfs/dbraw/zinc/37/21/43/179372143.db2.gz QHMZETVHBHTWSM-AWEZNQCLSA-N 1 0 269.410 2.466 10 0 CEAERO [NH3+][C@@H](Cc1ccccc1Cl)[C@@H]1CSCCO1 ZINC000086987590 179374390 /nfs/dbraw/zinc/37/43/90/179374390.db2.gz HBAMAFLLDFOZEY-RYUDHWBXSA-N 1 0 257.786 2.342 10 0 CEAERO [NH3+][C@H](Cc1ccc(Cl)cc1)[C@@H]1CSCCO1 ZINC000086987584 179374752 /nfs/dbraw/zinc/37/47/52/179374752.db2.gz LYXHVEPQASTZEK-NEPJUHHUSA-N 1 0 257.786 2.342 10 0 CEAERO [NH3+][C@@H](Cc1ccc(Cl)s1)[C@@H]1CSCCO1 ZINC000086986845 179374824 /nfs/dbraw/zinc/37/48/24/179374824.db2.gz CTRRRROFTZRVQW-IUCAKERBSA-N 1 0 263.815 2.403 10 0 CEAERO C[C@@H]1CCC[NH2+][C@@H]1CNC(=O)c1c(F)cc(F)cc1F ZINC000086996418 179376786 /nfs/dbraw/zinc/37/67/86/179376786.db2.gz ISIGVBAPUYNUQS-PRHODGIISA-N 1 0 286.297 2.222 10 0 CEAERO C[C@H]1CCC[NH2+][C@H]1CNC(=O)c1c(F)cc(F)cc1F ZINC000086996423 179376936 /nfs/dbraw/zinc/37/69/36/179376936.db2.gz ISIGVBAPUYNUQS-UFBFGSQYSA-N 1 0 286.297 2.222 10 0 CEAERO CC[NH2+]CCc1nnc(-c2c(F)cc(F)cc2F)o1 ZINC000086998772 179377771 /nfs/dbraw/zinc/37/77/71/179377771.db2.gz NITFTHSSXAHRTK-UHFFFAOYSA-N 1 0 271.242 2.306 10 0 CEAERO CC(C)([NH3+])c1noc(-c2c(F)cc(F)cc2F)n1 ZINC000086998665 179377907 /nfs/dbraw/zinc/37/79/07/179377907.db2.gz ACLYVISTXLYZSK-UHFFFAOYSA-N 1 0 257.215 2.348 10 0 CEAERO C[C@H]([NH3+])Cc1noc(-c2c(F)cc(F)cc2F)n1 ZINC000086998693 179377994 /nfs/dbraw/zinc/37/79/94/179377994.db2.gz MJLCNXPLWQZWON-YFKPBYRVSA-N 1 0 257.215 2.044 10 0 CEAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+]CC1(O)CCC(C)CC1 ZINC000087061906 179389371 /nfs/dbraw/zinc/38/93/71/179389371.db2.gz XGLQNOZWCJOWCQ-MFOWVQHXSA-N 1 0 284.444 2.211 10 0 CEAERO CCSCc1noc([C@H](C[NH3+])c2ccccc2)n1 ZINC000087105314 179394994 /nfs/dbraw/zinc/39/49/94/179394994.db2.gz LIADBFZZCXBRQI-LLVKDONJSA-N 1 0 263.366 2.413 10 0 CEAERO CC(C)SCc1noc(C2(C)CC[NH2+]CC2)n1 ZINC000087108562 179395147 /nfs/dbraw/zinc/39/51/47/179395147.db2.gz GJSBYJJRXBIOCQ-UHFFFAOYSA-N 1 0 255.387 2.352 10 0 CEAERO Cc1ccc(NC(=O)C[NH2+]CC2(O)CCC(C)CC2)cc1 ZINC000087061893 179389486 /nfs/dbraw/zinc/38/94/86/179389486.db2.gz LQQVHINTIILEAQ-UHFFFAOYSA-N 1 0 290.407 2.464 10 0 CEAERO C[C@H]1CCC[C@@](O)(C[NH2+]CC(=O)Nc2cccc(F)c2)C1 ZINC000087064345 179389908 /nfs/dbraw/zinc/38/99/08/179389908.db2.gz GOFUPOJWVJPOGE-LRDDRELGSA-N 1 0 294.370 2.295 10 0 CEAERO CCN(CC)C(=O)[C@H](C)[NH2+]CC1(O)CCC(C)(C)CC1 ZINC000087063792 179390101 /nfs/dbraw/zinc/39/01/01/179390101.db2.gz UMFXWVNUHIYUTM-ZDUSSCGKSA-N 1 0 284.444 2.164 10 0 CEAERO C[C@H]1CCC[C@](O)(C[NH2+]CC(=O)Nc2ccc(F)cc2)C1 ZINC000087064332 179390321 /nfs/dbraw/zinc/39/03/21/179390321.db2.gz OAMHVGVOMKUPCK-BLLLJJGKSA-N 1 0 294.370 2.295 10 0 CEAERO C[C@H](CC[NH3+])CCC(=O)NCC1(O)CCC(C)(C)CC1 ZINC000087068899 179391456 /nfs/dbraw/zinc/39/14/56/179391456.db2.gz OVPCIGBEZGQYAK-ZDUSSCGKSA-N 1 0 284.444 2.199 10 0 CEAERO C[C@@H]1CCC[C@@]([NH3+])(C(=O)NCC2(O)CCC(C)(C)CC2)C1 ZINC000087068910 179391512 /nfs/dbraw/zinc/39/15/12/179391512.db2.gz NQEWNPRGRKLKAK-DYVFJYSZSA-N 1 0 296.455 2.342 10 0 CEAERO CC[C@H](C)SCc1nccc(C[NH2+]CCOC)n1 ZINC000087139970 179397101 /nfs/dbraw/zinc/39/71/01/179397101.db2.gz KZJDQQMBMQJOEX-NSHDSACASA-N 1 0 269.414 2.244 10 0 CEAERO CC[NH2+][C@@H](C[C@H]1CCCO1)c1ccc2c(c1)NC(=O)CO2 ZINC000087213966 179402612 /nfs/dbraw/zinc/40/26/12/179402612.db2.gz GNWGEXAVAPBIMR-OLZOCXBDSA-N 1 0 290.363 2.237 10 0 CEAERO C[NH2+]Cc1cc(Br)ccc1O[C@H](C)[C@@H](C)O ZINC000087125410 179395899 /nfs/dbraw/zinc/39/58/99/179395899.db2.gz AGPZQBBECGAYRB-RKDXNWHRSA-N 1 0 288.185 2.317 10 0 CEAERO C[NH2+]Cc1cccc(Br)c1O[C@@H](C)[C@@H](C)O ZINC000087125555 179396343 /nfs/dbraw/zinc/39/63/43/179396343.db2.gz VNGSFFKVMARKNU-BDAKNGLRSA-N 1 0 288.185 2.317 10 0 CEAERO CCOCCCn1nc(C)c(C[NH2+]C(C)C)c1C ZINC000087325985 179413336 /nfs/dbraw/zinc/41/33/36/179413336.db2.gz GPKRVGCVHNHIJZ-UHFFFAOYSA-N 1 0 253.390 2.425 10 0 CEAERO COc1ccccc1[C@@H](C[NH3+])[C@H](O)CCc1ccco1 ZINC000087371551 179416911 /nfs/dbraw/zinc/41/69/11/179416911.db2.gz CDJKZDNVMRTPCN-HUUCEWRRSA-N 1 0 275.348 2.324 10 0 CEAERO COc1cc([C@H](O)[C@H](C[NH3+])CC(C)C)cc(OC)c1OC ZINC000087379076 179417590 /nfs/dbraw/zinc/41/75/90/179417590.db2.gz OCWDKUCRVYCLPZ-WFASDCNBSA-N 1 0 297.395 2.367 10 0 CEAERO COc1ccc([C@@H](O)[C@H](C[NH3+])CC(C)C)cc1OC ZINC000087379178 179417748 /nfs/dbraw/zinc/41/77/48/179417748.db2.gz UPQAKQSPWIBKMV-SWLSCSKDSA-N 1 0 267.369 2.358 10 0 CEAERO COc1cccc([C@@H](C[NH3+])[C@@H](O)c2ccc(C)o2)c1 ZINC000087380844 179417751 /nfs/dbraw/zinc/41/77/51/179417751.db2.gz RHYCADLHROSJFK-UKRRQHHQSA-N 1 0 261.321 2.373 10 0 CEAERO [NH3+]C[C@H](NC(=O)[C@@H]1CCCO[C@H]1c1ccccc1)C1CC1 ZINC000087383429 539640567 /nfs/dbraw/zinc/64/05/67/539640567.db2.gz MZFIPAHMMTZPBS-PMPSAXMXSA-N 1 0 288.391 2.008 10 0 CEAERO CC(C)CCOCCNC(=O)[C@H](C)CCC[C@H](C)[NH3+] ZINC000087700855 179472893 /nfs/dbraw/zinc/47/28/93/179472893.db2.gz SOGVRGLXIMXTHK-KGLIPLIRSA-N 1 0 272.433 2.319 10 0 CEAERO COCc1nc(C)c(C[C@@H](C)C[NH2+]C(C)C)c(C)n1 ZINC000087707408 179474962 /nfs/dbraw/zinc/47/49/62/179474962.db2.gz DGDHIAOANSWQDO-LLVKDONJSA-N 1 0 265.401 2.416 10 0 CEAERO Cc1cc([C@@H]([NH3+])C[C@H](C)CC(N)=O)cc(C)c1F ZINC000087720020 179476317 /nfs/dbraw/zinc/47/63/17/179476317.db2.gz JELVHXNTKGHXHY-UFBFGSQYSA-N 1 0 252.333 2.344 10 0 CEAERO Cc1ccc(Br)cc1C(=O)N[C@@H]1CCC[C@@H]1[NH3+] ZINC000087744109 179479692 /nfs/dbraw/zinc/47/96/92/179479692.db2.gz OGEWICXEKHHEJZ-NWDGAFQWSA-N 1 0 297.196 2.367 10 0 CEAERO O=C(C[NH2+]C1CCCC1)N1CCC[C@H]2CCC[C@@H]21 ZINC000087769582 179483820 /nfs/dbraw/zinc/48/38/20/179483820.db2.gz SYAATEBEVYQYHR-OCCSQVGLSA-N 1 0 250.386 2.310 10 0 CEAERO COCC[NH2+]C[C@@H](C)c1c(C)nc([C@H]2CCCO2)nc1C ZINC000087803495 179488101 /nfs/dbraw/zinc/48/81/01/179488101.db2.gz XQMSAKZCOVSVTG-BXUZGUMPSA-N 1 0 293.411 2.284 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)N[C@@H](C)c1ccc(OC)cc1OC ZINC000087517146 179438351 /nfs/dbraw/zinc/43/83/51/179438351.db2.gz XVJIBQDXPREROD-RYUDHWBXSA-N 1 0 294.395 2.256 10 0 CEAERO CC[C@H](C[NH3+])C(=O)Nc1c(C)nn(C(C)C)c1C ZINC000087523976 179440258 /nfs/dbraw/zinc/44/02/58/179440258.db2.gz WRXGVXAZNVQMTC-LLVKDONJSA-N 1 0 252.362 2.004 10 0 CEAERO CC[C@H](C[NH3+])C(=O)N[C@H](c1ccc(OC)cc1)C1CC1 ZINC000087532720 179441635 /nfs/dbraw/zinc/44/16/35/179441635.db2.gz KFIRIEANNAXSIU-ABAIWWIYSA-N 1 0 276.380 2.247 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)Nc1sccc1C(=O)OCC ZINC000087532351 179441953 /nfs/dbraw/zinc/44/19/53/179441953.db2.gz UROCDHPERFXLGI-SECBINFHSA-N 1 0 284.381 2.238 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N[C@@H](C)c1nc(C)cs1 ZINC000087534786 179442088 /nfs/dbraw/zinc/44/20/88/179442088.db2.gz PBXSLMBCLKEPML-VHSXEESVSA-N 1 0 255.387 2.004 10 0 CEAERO CC[C@@H](C[NH3+])c1nc(-c2ccc3c(c2)OCCO3)c[nH]1 ZINC000087536758 179442363 /nfs/dbraw/zinc/44/23/63/179442363.db2.gz WFBZSNBPGKTDGI-JTQLQIEISA-N 1 0 273.336 2.300 10 0 CEAERO CC(C)(C[NH3+])CCSc1nnnn1-c1ccccc1 ZINC000087591354 179451529 /nfs/dbraw/zinc/45/15/29/179451529.db2.gz VTHSTCYGKLRGOD-UHFFFAOYSA-N 1 0 277.397 2.129 10 0 CEAERO CC(C)(C)[N@@H+]1CCN[C@H](c2ccc3nnccc3c2)C1 ZINC000616634826 348541835 /nfs/dbraw/zinc/54/18/35/348541835.db2.gz ZWHAWFYSSVDKFJ-HNNXBMFYSA-N 1 0 270.380 2.375 10 0 CEAERO [NH3+]C[C@H](NCC(F)(F)F)c1ccc(F)c(F)c1 ZINC000087929648 179525220 /nfs/dbraw/zinc/52/52/20/179525220.db2.gz KHTUPSWGRLTOBS-VIFPVBQESA-N 1 0 254.202 2.117 10 0 CEAERO CC[N@@H+]1CCCO[C@@H](c2ccc3nnccc3c2)C1 ZINC000616652173 348548573 /nfs/dbraw/zinc/54/85/73/348548573.db2.gz DTBHAVKLZGEIGU-OAHLLOKOSA-N 1 0 257.337 2.413 10 0 CEAERO CC1(C)CCC(C[NH3+])(CCCS(C)(=O)=O)CC1 ZINC000087940260 179528052 /nfs/dbraw/zinc/52/80/52/179528052.db2.gz ZOPZTHFHSXEREA-UHFFFAOYSA-N 1 0 261.431 2.357 10 0 CEAERO COc1ccc(C(=O)OC(C)(C)C)c2c1C[NH2+]CC2 ZINC000616577825 348525391 /nfs/dbraw/zinc/52/53/91/348525391.db2.gz MVQBZUPIGVKBRV-UHFFFAOYSA-N 1 0 263.337 2.296 10 0 CEAERO OCC[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)CC1 ZINC000616593190 348527571 /nfs/dbraw/zinc/52/75/71/348527571.db2.gz JTUGESRWORUOLS-ZDUSSCGKSA-N 1 0 255.745 2.096 10 0 CEAERO [NH3+]CCN1CCO[C@H](c2ccccc2Cl)CC1 ZINC000616592440 348527850 /nfs/dbraw/zinc/52/78/50/348527850.db2.gz FHRZWMSHTBGPGZ-ZDUSSCGKSA-N 1 0 254.761 2.062 10 0 CEAERO OCC[N@@H+]1CCO[C@@H](c2cccc(Cl)c2)CC1 ZINC000616595647 348528166 /nfs/dbraw/zinc/52/81/66/348528166.db2.gz OFFKFGQZGMHGSF-CYBMUJFWSA-N 1 0 255.745 2.096 10 0 CEAERO CC(=O)Nc1ccccc1[C@H]1COCC[N@@H+](C(C)C)C1 ZINC000616593427 348528422 /nfs/dbraw/zinc/52/84/22/348528422.db2.gz KONRWKSNYOECSX-CQSZACIVSA-N 1 0 276.380 2.469 10 0 CEAERO CC[N@@H+]1CCO[C@@H](c2cc3ccccc3nn2)CC1 ZINC000616593401 348528509 /nfs/dbraw/zinc/52/85/09/348528509.db2.gz JVNRSPVQFFGOCT-OAHLLOKOSA-N 1 0 257.337 2.413 10 0 CEAERO [NH3+]CCN1CCOCC[C@@H]1c1ccccc1Cl ZINC000616598296 348529037 /nfs/dbraw/zinc/52/90/37/348529037.db2.gz JVNJCUIDUSFKBT-CYBMUJFWSA-N 1 0 254.761 2.062 10 0 CEAERO CC[C@H]1CCCC[C@H]1Oc1cc(NN)[nH+]c(C)n1 ZINC000087878012 179507946 /nfs/dbraw/zinc/50/79/46/179507946.db2.gz JPWOKGBXEAHUQE-WDEREUQCSA-N 1 0 250.346 2.418 10 0 CEAERO CC(C)[N@@H+]1CCOC[C@H](c2cnnc3ccccc32)C1 ZINC000616596144 348529610 /nfs/dbraw/zinc/52/96/10/348529610.db2.gz ZKPRVIHRUWDGFG-CYBMUJFWSA-N 1 0 271.364 2.454 10 0 CEAERO CCOC(=O)c1ccccc1[C@@H]1CCCN(CC[NH3+])CC1 ZINC000616600567 348531450 /nfs/dbraw/zinc/53/14/50/348531450.db2.gz GFCOQLBBHSHKFZ-CQSZACIVSA-N 1 0 290.407 2.392 10 0 CEAERO CC(=O)Nc1ccccc1[C@@H]1CCCCN1CC[NH3+] ZINC000616612361 348534381 /nfs/dbraw/zinc/53/43/81/348534381.db2.gz ZIDJXVSEPNVIQE-HNNXBMFYSA-N 1 0 261.369 2.131 10 0 CEAERO CC(=O)Nc1ccc([C@@H]2CCCC[N@@H+]2CCO)cc1 ZINC000616616097 348534739 /nfs/dbraw/zinc/53/47/39/348534739.db2.gz GKRIQKGRDZTAEB-HNNXBMFYSA-N 1 0 262.353 2.164 10 0 CEAERO CCOC(=O)c1cccc([C@H]2CCCCN2CC[NH3+])c1 ZINC000616614678 348534815 /nfs/dbraw/zinc/53/48/15/348534815.db2.gz IPFVDRBGZIOTCO-OAHLLOKOSA-N 1 0 276.380 2.349 10 0 CEAERO CC(C)(C)OC(=O)NCC[C@H]1CCCCCN1CC[NH3+] ZINC000616624885 348538399 /nfs/dbraw/zinc/53/83/99/348538399.db2.gz SIZMSJBIPFJSGL-CYBMUJFWSA-N 1 0 285.432 2.105 10 0 CEAERO C[NH2+][C@@H](c1c(C)ccnc1N)[C@@H]1COc2ccccc2C1 ZINC000088021182 179536687 /nfs/dbraw/zinc/53/66/87/179536687.db2.gz NNPVNLIDXASRBM-XJKSGUPXSA-N 1 0 283.375 2.484 10 0 CEAERO C[C@@H]([NH3+])Cc1ccnc(C2Cc3ccccc3C2)n1 ZINC000088040457 179537967 /nfs/dbraw/zinc/53/79/67/179537967.db2.gz CGSAWLQWSMXVPJ-LLVKDONJSA-N 1 0 253.349 2.249 10 0 CEAERO CCOC(=O)C[C@](C)(CCC(C)C)[NH+]1CCN(C)CC1 ZINC000088046041 179539898 /nfs/dbraw/zinc/53/98/98/179539898.db2.gz VTOQGPYAMWBTEB-INIZCTEOSA-N 1 0 284.444 2.382 10 0 CEAERO [NH3+]CCC[S@](=O)Cc1ccc(Br)cc1F ZINC000088066864 179543925 /nfs/dbraw/zinc/54/39/25/179543925.db2.gz VRPYBGYTEDPEOF-OAHLLOKOSA-N 1 0 294.189 2.186 10 0 CEAERO C[C@@H]([NH3+])C[S@@](=O)Cc1csc2ccccc12 ZINC000088070066 179544021 /nfs/dbraw/zinc/54/40/21/179544021.db2.gz WOPLWLQVTMBQMG-ABKXIKBNSA-N 1 0 253.392 2.497 10 0 CEAERO COc1cccc(F)c1C(=O)NC1(C[NH3+])CCCCC1 ZINC000088081995 179545613 /nfs/dbraw/zinc/54/56/13/179545613.db2.gz HSBJPRXOABWTNI-UHFFFAOYSA-N 1 0 280.343 2.226 10 0 CEAERO COc1ccc(CCn2nc(C)c(CC[NH3+])c2C)cc1 ZINC000088106353 179549765 /nfs/dbraw/zinc/54/97/65/179549765.db2.gz JCNKBHHHHXHMFD-UHFFFAOYSA-N 1 0 273.380 2.252 10 0 CEAERO CS(=O)(=O)CC[NH2+][C@H]1CCc2sc(Cl)cc21 ZINC000088117103 179551780 /nfs/dbraw/zinc/55/17/80/179551780.db2.gz WDJPTGADBIIYGQ-QMMMGPOBSA-N 1 0 279.814 2.023 10 0 CEAERO Cc1cc(C[NH3+])cc(C)c1Oc1ccnc(N(C)C)n1 ZINC000088163642 179559535 /nfs/dbraw/zinc/55/95/35/179559535.db2.gz BFAWJOCIUZIPLJ-UHFFFAOYSA-N 1 0 272.352 2.410 10 0 CEAERO CC(C)(C)OC(=O)NCCN1CC[C@@H]([NH3+])c2ccccc21 ZINC000616674320 348556488 /nfs/dbraw/zinc/55/64/88/348556488.db2.gz HPLSPLMJMKAUFX-CYBMUJFWSA-N 1 0 291.395 2.421 10 0 CEAERO Nc1cccc([C@@H]2Cc3ccccc3N(CC[NH3+])C2)c1 ZINC000616672835 348556623 /nfs/dbraw/zinc/55/66/23/348556623.db2.gz OAEMIUJOBNGWEZ-OAHLLOKOSA-N 1 0 267.376 2.374 10 0 CEAERO [NH3+]CCN1CCc2ccccc2[C@H]1c1ccccc1CO ZINC000616679069 348558208 /nfs/dbraw/zinc/55/82/08/348558208.db2.gz BXSNUGFZGUVVIN-SFHVURJKSA-N 1 0 282.387 2.085 10 0 CEAERO Nc1cccc([C@@H]2c3ccccc3CC[N@H+]2CCO)c1 ZINC000616678817 348558355 /nfs/dbraw/zinc/55/83/55/348558355.db2.gz MNNNMPJTMXCKDS-QGZVFWFLSA-N 1 0 268.360 2.209 10 0 CEAERO C[C@@H]1CCC[NH2+][C@@H]1C(=O)N(C)CCc1ccccc1 ZINC000088203980 179565881 /nfs/dbraw/zinc/56/58/81/179565881.db2.gz AAUWCZPOFAYGTN-HIFRSBDPSA-N 1 0 260.381 2.076 10 0 CEAERO OCCc1ccccc1[C@H]1[NH2+]CCc2ccccc21 ZINC000616681248 348559038 /nfs/dbraw/zinc/55/90/38/348559038.db2.gz XJMKZCCWAZXNKV-KRWDZBQOSA-N 1 0 253.345 2.457 10 0 CEAERO COCCN(C(=O)C[C@@H](C[NH3+])CC(C)C)[C@H](C)C1CC1 ZINC000088277306 179574500 /nfs/dbraw/zinc/57/45/00/179574500.db2.gz UJYNQCLUIKYBGE-KGLIPLIRSA-N 1 0 284.444 2.271 10 0 CEAERO c1ccc2c(c1)CC(c1noc([C@H]3CCC[NH2+]C3)n1)C2 ZINC000087996991 179533061 /nfs/dbraw/zinc/53/30/61/179533061.db2.gz WZNUXRMJJFIJCB-ZDUSSCGKSA-N 1 0 269.348 2.419 10 0 CEAERO CCC[NH2+]CCN(C)CCOc1ccccc1OCC ZINC000088402634 179593856 /nfs/dbraw/zinc/59/38/56/179593856.db2.gz DQVVDENLRBMZLT-UHFFFAOYSA-N 1 0 280.412 2.396 10 0 CEAERO CCOc1ccccc1OCCn1ncc(C[NH2+]C)c1C ZINC000088415376 179595076 /nfs/dbraw/zinc/59/50/76/179595076.db2.gz NZVUEXODEOFZSR-UHFFFAOYSA-N 1 0 289.379 2.389 10 0 CEAERO Cc1c(F)cccc1NC(=O)[C@@H]1C[NH2+]C[C@H](C)C1 ZINC000088450606 179605715 /nfs/dbraw/zinc/60/57/15/179605715.db2.gz NEBLFBGMSRRVBJ-KOLCDFICSA-N 1 0 250.317 2.318 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C(=O)Nc2c(F)cccc2F)C1 ZINC000088449812 179605815 /nfs/dbraw/zinc/60/58/15/179605815.db2.gz BEEROQPTWPHZAQ-RKDXNWHRSA-N 1 0 254.280 2.149 10 0 CEAERO Cc1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H](C)C2)cc1F ZINC000088449632 179605885 /nfs/dbraw/zinc/60/58/85/179605885.db2.gz FJKSXFJZYJMUIZ-GXSJLCMTSA-N 1 0 250.317 2.318 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C(=O)N2CCC(C(F)(F)F)CC2)C1 ZINC000088451461 179606767 /nfs/dbraw/zinc/60/67/67/179606767.db2.gz DAXPDJNNQZJBAG-UWVGGRQHSA-N 1 0 278.318 2.033 10 0 CEAERO Cc1cncc(C(=O)N[C@@]2(C[NH3+])CCC[C@H](C)C2)c1 ZINC000088452102 179607213 /nfs/dbraw/zinc/60/72/13/179607213.db2.gz PCSDYCZQPRJLKK-NHYWBVRUSA-N 1 0 261.369 2.027 10 0 CEAERO CC(C)C[C@@H](C[NH3+])CC(=O)NC1(CO)CCC(C)CC1 ZINC000088288512 179575147 /nfs/dbraw/zinc/57/51/47/179575147.db2.gz VPNSHBXPFURWMA-NPCAHTBFSA-N 1 0 284.444 2.055 10 0 CEAERO [NH3+][C@H](Cc1ccccc1)[C@H](O)CSc1ccccn1 ZINC000088398331 179591689 /nfs/dbraw/zinc/59/16/89/179591689.db2.gz UYJBYWWWLBQPSP-ZIAGYGMSSA-N 1 0 274.389 2.105 10 0 CEAERO O=C(NC[C@H]1CC=CCC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000104199016 185927991 /nfs/dbraw/zinc/92/79/91/185927991.db2.gz PTDQGJMGGNPQRB-CMPLNLGQSA-N 1 0 276.302 2.001 10 0 CEAERO Cn1ncnc1C[C@]1([NH3+])CCCC[C@H]1c1ccccc1 ZINC000088581282 179629078 /nfs/dbraw/zinc/62/90/78/179629078.db2.gz ORJJEMWJQWAUFP-GOEBONIOSA-N 1 0 270.380 2.413 10 0 CEAERO CC[NH2+][C@@H](Cc1ncnn1C)c1ccc(Cl)cc1 ZINC000088581661 179629697 /nfs/dbraw/zinc/62/96/97/179629697.db2.gz OYWWVLSZTATRPN-LBPRGKRZSA-N 1 0 264.760 2.362 10 0 CEAERO CC[NH2+]Cc1cccc2c1ccn2Cc1ncnn1CC ZINC000088603077 179635283 /nfs/dbraw/zinc/63/52/83/179635283.db2.gz FRHOJUXAQMZZMM-UHFFFAOYSA-N 1 0 283.379 2.411 10 0 CEAERO CC(C)n1ncnc1C[C@@]1([NH3+])CCc2ccccc21 ZINC000088606839 179636606 /nfs/dbraw/zinc/63/66/06/179636606.db2.gz VOALJBKFOOBPIY-HNNXBMFYSA-N 1 0 256.353 2.202 10 0 CEAERO CC[NH2+][C@@H](Cc1ncnn1CC)c1ccccc1OC ZINC000088609863 179637360 /nfs/dbraw/zinc/63/73/60/179637360.db2.gz GHYJVTZIEFNUHE-ZDUSSCGKSA-N 1 0 274.368 2.200 10 0 CEAERO CCC[NH2+][C@@H](Cc1ncnn1CCC)Cc1ccccn1 ZINC000088610680 179638139 /nfs/dbraw/zinc/63/81/39/179638139.db2.gz YDSKMAOGMHLYAN-OAHLLOKOSA-N 1 0 287.411 2.237 10 0 CEAERO CCCn1ncnc1C[C@H]([NH3+])CCc1ccccc1 ZINC000088611001 179638447 /nfs/dbraw/zinc/63/84/47/179638447.db2.gz TUPOCICCBYZWNF-CQSZACIVSA-N 1 0 258.369 2.191 10 0 CEAERO CCCn1ncnc1C[C@H]([NH3+])Cc1ccc(C)c(C)c1 ZINC000088611969 179639127 /nfs/dbraw/zinc/63/91/27/179639127.db2.gz ZFYMHQGVTULEHU-OAHLLOKOSA-N 1 0 272.396 2.417 10 0 CEAERO C[NH2+][C@H](Cc1ccc(OC)cc1)Cc1ccccn1 ZINC000088529992 179618185 /nfs/dbraw/zinc/61/81/85/179618185.db2.gz GYGYPHHMGIPYBX-OAHLLOKOSA-N 1 0 256.349 2.463 10 0 CEAERO C[C@@H]([NH3+])[C@](O)(Cc1ccnc2ccccc12)C(F)(F)F ZINC000088529773 179618262 /nfs/dbraw/zinc/61/82/62/179618262.db2.gz TUUPXECYRSKDSZ-NOZJJQNGSA-N 1 0 284.281 2.418 10 0 CEAERO CCC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC(=O)N(C)C2=O)CC1 ZINC000088776035 179670799 /nfs/dbraw/zinc/67/07/99/179670799.db2.gz ZCNUNBFZMOWRMP-JHJVBQTASA-N 1 0 266.385 2.082 10 0 CEAERO CCc1ccc(CN(C)C(=O)[C@H]2C[NH2+]C[C@@H]2C)cc1 ZINC000104211404 185932614 /nfs/dbraw/zinc/93/26/14/185932614.db2.gz FOYZFJAIRXXHOX-WFASDCNBSA-N 1 0 260.381 2.063 10 0 CEAERO C[NH2+][C@H](C)[C@H]1CCCN(S(=O)(=O)c2ccccc2C)C1 ZINC000088714741 179656790 /nfs/dbraw/zinc/65/67/90/179656790.db2.gz PWXBSXURIXPTMD-KGLIPLIRSA-N 1 0 296.436 2.004 10 0 CEAERO CC[NH+](CC)CCSc1cc(N)ccc1C(=O)N(C)C ZINC000088733715 179660990 /nfs/dbraw/zinc/66/09/90/179660990.db2.gz IGXCWBFZIHOZHP-UHFFFAOYSA-N 1 0 295.452 2.405 10 0 CEAERO Cc1c(C[NH3+])cccc1S(=O)(=O)N(C)CC(C)(C)C ZINC000089013689 179691039 /nfs/dbraw/zinc/69/10/39/179691039.db2.gz SDPRYXPXRQGGPH-UHFFFAOYSA-N 1 0 284.425 2.120 10 0 CEAERO CCC[NH2+]CCS(=O)(=O)N(C)c1ccc(CC)cc1 ZINC000089014970 179691657 /nfs/dbraw/zinc/69/16/57/179691657.db2.gz PUPMTIUYJYLBJD-UHFFFAOYSA-N 1 0 284.425 2.015 10 0 CEAERO CCCC[C@H](C)NS(=O)(=O)c1ccc(C)c(C[NH3+])c1 ZINC000089022633 179691749 /nfs/dbraw/zinc/69/17/49/179691749.db2.gz HWNCOKOAWAXQBZ-LBPRGKRZSA-N 1 0 284.425 2.311 10 0 CEAERO CCC[NH2+]C[C@H](C)S(=O)(=O)N(C)c1cccc(C)c1 ZINC000089021055 179691773 /nfs/dbraw/zinc/69/17/73/179691773.db2.gz QRKHOPBMODUPDJ-ZDUSSCGKSA-N 1 0 284.425 2.149 10 0 CEAERO CCC[NH2+]CCCCS(=O)(=O)N1CC[C@H](C)C[C@@H]1C ZINC000089023058 179692049 /nfs/dbraw/zinc/69/20/49/179692049.db2.gz FOPMERXBMFSNFH-KBPBESRZSA-N 1 0 290.473 2.216 10 0 CEAERO CCC[C@H]1C[C@H]1NC(=O)c1cccc2c1CC[NH2+]C2 ZINC000233392583 539668870 /nfs/dbraw/zinc/66/88/70/539668870.db2.gz PYHVGDZVNHWXHG-XHDPSFHLSA-N 1 0 258.365 2.251 10 0 CEAERO C[NH2+]CCc1nnc(C2(c3ccccc3)CC2)s1 ZINC000088822530 179677981 /nfs/dbraw/zinc/67/79/81/179677981.db2.gz XVKKXLJSOQAPSX-UHFFFAOYSA-N 1 0 259.378 2.380 10 0 CEAERO CN(C[C@@H]1C[C@H]2CC[C@@H]1C2)C(=O)C1(C)CC[NH2+]CC1 ZINC000104234749 185939091 /nfs/dbraw/zinc/93/90/91/185939091.db2.gz JIQNWBMLPCXULP-MJBXVCDLSA-N 1 0 264.413 2.271 10 0 CEAERO Cc1nn(CC[NH2+][C@H](C)Cn2ccnc2)c(C)c1Cl ZINC000067880947 362930109 /nfs/dbraw/zinc/93/01/09/362930109.db2.gz WOQNECLKIYGDGT-SNVBAGLBSA-N 1 0 281.791 2.028 10 0 CEAERO [NH3+]CCCN(CCOC(F)(F)F)c1ccccc1 ZINC000089051482 179694460 /nfs/dbraw/zinc/69/44/60/179694460.db2.gz VKLHOKFDZLPRTD-UHFFFAOYSA-N 1 0 262.275 2.378 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1ccc2cc[nH]c2c1 ZINC000089091454 179699239 /nfs/dbraw/zinc/69/92/39/179699239.db2.gz TVXUTIXPGCIFJJ-CHWSQXEVSA-N 1 0 257.337 2.025 10 0 CEAERO CCn1cc(Cl)cc1C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000089106288 179701704 /nfs/dbraw/zinc/70/17/04/179701704.db2.gz VZBRFSHMSRHKAB-JQWIXIFHSA-N 1 0 283.803 2.409 10 0 CEAERO CC(C)(C)c1nsc(N[C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000089105735 179701766 /nfs/dbraw/zinc/70/17/66/179701766.db2.gz MSAZHEKUVWFLSE-DTWKUNHWSA-N 1 0 254.403 2.375 10 0 CEAERO C[C@H]([NH3+])Cc1cc2ccccc2nc1-n1cccn1 ZINC000104263824 185947808 /nfs/dbraw/zinc/94/78/08/185947808.db2.gz CXTYRXSMOOUCPU-NSHDSACASA-N 1 0 252.321 2.310 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1Nc1cccnc1-n1cccn1 ZINC000089143825 179721421 /nfs/dbraw/zinc/72/14/21/179721421.db2.gz VIRNTEQDFIOMBJ-QWHCGFSZSA-N 1 0 271.368 2.197 10 0 CEAERO Cc1c(F)cc(C(N)=O)cc1N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089143779 179721445 /nfs/dbraw/zinc/72/14/45/179721445.db2.gz DVYRCBGWPYKNDL-MFKMUULPSA-N 1 0 279.359 2.162 10 0 CEAERO CNC(=O)c1ccc(C)c(N[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000089143316 179721609 /nfs/dbraw/zinc/72/16/09/179721609.db2.gz FVXXHHCJQKVHTP-UONOGXRCSA-N 1 0 275.396 2.284 10 0 CEAERO CCN(C(=O)c1ccccc1OC)[C@H]1CCC[C@H]1C[NH3+] ZINC000089114291 179708650 /nfs/dbraw/zinc/70/86/50/179708650.db2.gz UFUHBCKXGNGSCJ-JSGCOSHPSA-N 1 0 276.380 2.285 10 0 CEAERO CCN(C(=O)Cc1ccccc1OC)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089114444 179708817 /nfs/dbraw/zinc/70/88/17/179708817.db2.gz GCSBVPBXBDKWRU-HUUCEWRRSA-N 1 0 290.407 2.214 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1Nc1ccc2c(c1)OCCCO2 ZINC000089147214 179723499 /nfs/dbraw/zinc/72/34/99/179723499.db2.gz GWTOASUDZXOFKL-DGCLKSJQSA-N 1 0 262.353 2.387 10 0 CEAERO CCN(C(=O)Cc1cccc(OC)c1)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089114845 179709139 /nfs/dbraw/zinc/70/91/39/179709139.db2.gz SXECRJKKGQZNBH-ZBFHGGJFSA-N 1 0 290.407 2.214 10 0 CEAERO CC[NH2+][C@H](Cc1nn(C)c2ccccc12)[C@H]1CCCO1 ZINC000089178106 179743231 /nfs/dbraw/zinc/74/32/31/179743231.db2.gz XSHZUXUWJMBENU-GDBMZVCRSA-N 1 0 273.380 2.273 10 0 CEAERO CCN(CC[NH2+]C(C)C)Cc1cc(C)nn1CC ZINC000089185732 179746912 /nfs/dbraw/zinc/74/69/12/179746912.db2.gz PIKGFDHEEAZDSC-UHFFFAOYSA-N 1 0 252.406 2.031 10 0 CEAERO Cc1nn(C)c(CN2CCC[C@@H]2C[NH2+]C(C)C)c1Cl ZINC000089234408 179759647 /nfs/dbraw/zinc/75/96/47/179759647.db2.gz AAPMUTBPIHNTNW-GFCCVEGCSA-N 1 0 284.835 2.344 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1cc(F)c(F)cc1F ZINC000089461752 539719275 /nfs/dbraw/zinc/71/92/75/539719275.db2.gz GOMBQDZYFYYOOX-YUMQZZPRSA-N 1 0 272.270 2.417 10 0 CEAERO CC[NH2+][C@@H](CSC(C)C)Cc1cc(C)nn1C ZINC000089198731 179751611 /nfs/dbraw/zinc/75/16/11/179751611.db2.gz FVLNGNFNMOFQRZ-GFCCVEGCSA-N 1 0 255.431 2.391 10 0 CEAERO CCC[NH2+][C@H](CSCC)Cc1cc(C)nn1C ZINC000089198661 179751747 /nfs/dbraw/zinc/75/17/47/179751747.db2.gz PSMAYKXUBIKGJN-LBPRGKRZSA-N 1 0 255.431 2.392 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000089448742 539716211 /nfs/dbraw/zinc/71/62/11/539716211.db2.gz ZVCZEDTXKQGBFK-QUDLODQRSA-N 1 0 276.424 2.446 10 0 CEAERO Cc1cc(C[C@@H]([NH3+])[C@H]2CCc3ccccc3C2)n(C)n1 ZINC000089201155 179752264 /nfs/dbraw/zinc/75/22/64/179752264.db2.gz XCPPLLAHRITLTB-DOTOQJQBSA-N 1 0 269.392 2.403 10 0 CEAERO CC(=O)Nc1cc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])ccc1C ZINC000089454282 539716764 /nfs/dbraw/zinc/71/67/64/539716764.db2.gz XCNMOAXNTVBOMD-JSGCOSHPSA-N 1 0 289.379 2.267 10 0 CEAERO CC(=O)Nc1cc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])ccc1F ZINC000089454616 539717461 /nfs/dbraw/zinc/71/74/61/539717461.db2.gz SZDOFLHUMOJZJX-CMPLNLGQSA-N 1 0 293.342 2.098 10 0 CEAERO CC(C)N(Cc1ccccn1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089457213 539717506 /nfs/dbraw/zinc/71/75/06/539717506.db2.gz JHDGTXAEPLPUSV-ZFWWWQNUSA-N 1 0 275.396 2.194 10 0 CEAERO CC[NH2+]C[C@@]1(Cc2cc(CC)nn2CC)CCOC1 ZINC000089206360 179754040 /nfs/dbraw/zinc/75/40/40/179754040.db2.gz QGFVPDLRJQWUPW-HNNXBMFYSA-N 1 0 265.401 2.024 10 0 CEAERO CCc1cc(CN2CC[NH2+][C@@](C)(C3CC3)C2)n(CC)n1 ZINC000089208545 179754666 /nfs/dbraw/zinc/75/46/66/179754666.db2.gz KLMDEIDVAZDPNS-MRXNPFEDSA-N 1 0 276.428 2.039 10 0 CEAERO Cc1ccc(CNC(=O)[C@H]2CCC[C@H]2C[NH3+])s1 ZINC000089461341 539718870 /nfs/dbraw/zinc/71/88/70/539718870.db2.gz CRNHDOBHUFXHSU-JQWIXIFHSA-N 1 0 252.383 2.048 10 0 CEAERO Cc1nn(C)c(CN2C[C@@H](C(C)C)[NH2+]C[C@@H]2C)c1Cl ZINC000089270194 179763166 /nfs/dbraw/zinc/76/31/66/179763166.db2.gz FPFKPLOHQLYBGY-JQWIXIFHSA-N 1 0 284.835 2.200 10 0 CEAERO COc1ccccc1NC(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089385636 179777590 /nfs/dbraw/zinc/77/75/90/179777590.db2.gz XRZKYPNVYJHKQK-NEPJUHHUSA-N 1 0 262.353 2.399 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cn1 ZINC000089387285 179778238 /nfs/dbraw/zinc/77/82/38/179778238.db2.gz IEPJMJYGQATKDW-GXSJLCMTSA-N 1 0 267.760 2.439 10 0 CEAERO COC(=O)c1sccc1NC(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000089395493 179779853 /nfs/dbraw/zinc/77/98/53/179779853.db2.gz GWDZTDUREXKYLW-UWVGGRQHSA-N 1 0 296.392 2.238 10 0 CEAERO COC(=O)c1ccc(C)c(NC(=O)[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000089451871 179792913 /nfs/dbraw/zinc/79/29/13/179792913.db2.gz KOHRNCVOFYUYIV-STQMWFEESA-N 1 0 290.363 2.095 10 0 CEAERO COCCN(Cc1ccccc1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089455194 179794185 /nfs/dbraw/zinc/79/41/85/179794185.db2.gz KKLAZFOJZOYJNI-JKSUJKDBSA-N 1 0 290.407 2.037 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@@H]1c1nc(Cc2ccncc2)no1 ZINC000089383578 179776107 /nfs/dbraw/zinc/77/61/07/179776107.db2.gz QMXXUPDQYCIKOL-OLZOCXBDSA-N 1 0 272.352 2.288 10 0 CEAERO CC(C)Cn1ncnc1COC[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089535983 179812311 /nfs/dbraw/zinc/81/23/11/179812311.db2.gz HSMJSIBULXIKNA-KGLIPLIRSA-N 1 0 280.416 2.216 10 0 CEAERO COCC[NH2+]C[C@H](C)CCc1ccc(OC)cc1 ZINC000089556833 179816085 /nfs/dbraw/zinc/81/60/85/179816085.db2.gz VBQPBDSFJIAMAE-CYBMUJFWSA-N 1 0 251.370 2.500 10 0 CEAERO CCCOc1cncc(NC[C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000089501422 179805463 /nfs/dbraw/zinc/80/54/63/179805463.db2.gz HYTAVVCDFMZFNC-RYUDHWBXSA-N 1 0 264.373 2.052 10 0 CEAERO C[C@H](NC(=O)C[C@@H]1CC[NH2+]C1)c1cc(F)ccc1F ZINC000089741803 539730055 /nfs/dbraw/zinc/73/00/55/539730055.db2.gz FRNHWXNHEOFGLB-UWVGGRQHSA-N 1 0 268.307 2.142 10 0 CEAERO O=C(C[C@@H]1CC[NH2+]C1)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000089742935 539730308 /nfs/dbraw/zinc/73/03/08/539730308.db2.gz FVSDAPSQBPVGBA-DCAQKATOSA-N 1 0 278.318 2.223 10 0 CEAERO C[C@H](Cn1cc(Br)cn1)[NH2+]CCC1CC1 ZINC000090118590 179916809 /nfs/dbraw/zinc/91/68/09/179916809.db2.gz QVMXMFAOXMIFSP-SECBINFHSA-N 1 0 272.190 2.424 10 0 CEAERO CCC[C@@]1(C(=O)NC[C@](C)(O)CC(C)C)CCC[NH2+]C1 ZINC000090272863 179945311 /nfs/dbraw/zinc/94/53/11/179945311.db2.gz YHGQRNXTWGVTAR-HZPDHXFCSA-N 1 0 284.444 2.070 10 0 CEAERO CCN(Cc1ccc(OC)c(OC(F)F)c1)C1C[NH2+]C1 ZINC000090290878 179950917 /nfs/dbraw/zinc/95/09/17/179950917.db2.gz XOZCHYQPSRFCAQ-UHFFFAOYSA-N 1 0 286.322 2.090 10 0 CEAERO CCCN1CCC[C@@H]([NH3+])[C@@H]1c1cncn1C(C)C ZINC000090209316 179934384 /nfs/dbraw/zinc/93/43/84/179934384.db2.gz OEVDGGDLKOXKSI-TZMCWYRMSA-N 1 0 250.390 2.338 10 0 CEAERO C[NH2+][C@@H](C)c1ccccc1NC(=O)c1cc(COC)on1 ZINC000090253544 179940518 /nfs/dbraw/zinc/94/05/18/179940518.db2.gz JSNONNYDDHUDMN-JTQLQIEISA-N 1 0 289.335 2.354 10 0 CEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1c1cnc2ccccc2n1 ZINC000090334131 179963714 /nfs/dbraw/zinc/96/37/14/179963714.db2.gz PZTKISRVXADRJD-TYNCELHUSA-N 1 0 268.364 2.064 10 0 CEAERO C[C@H]([NH3+])CCSCc1nc(-c2ccccn2)no1 ZINC000090346430 179970624 /nfs/dbraw/zinc/97/06/24/179970624.db2.gz OEKPDFUVSIYKLJ-VIFPVBQESA-N 1 0 264.354 2.102 10 0 CEAERO CCOC(=O)c1nc(CSC[C@@H](C)C[NH3+])cs1 ZINC000090349743 179971347 /nfs/dbraw/zinc/97/13/47/179971347.db2.gz CJDRJLSEHCZRRL-QMMMGPOBSA-N 1 0 274.411 2.148 10 0 CEAERO C[C@H](CC[NH3+])SCc1noc(-c2ccco2)n1 ZINC000090354300 179973676 /nfs/dbraw/zinc/97/36/76/179973676.db2.gz UZYOBEJNZJFKBF-MRVPVSSYSA-N 1 0 253.327 2.300 10 0 CEAERO CC(=O)c1ccc(NC(=O)CSCC(C)(C)[NH3+])cc1 ZINC000090358545 179976642 /nfs/dbraw/zinc/97/66/42/179976642.db2.gz ZRPPRWGUJNHRQR-UHFFFAOYSA-N 1 0 280.393 2.298 10 0 CEAERO CCCn1c2ccc(C)cc2nc1[C@@H]1COC[C@H]1[NH3+] ZINC000090363673 179978054 /nfs/dbraw/zinc/97/80/54/179978054.db2.gz OVRTVZQZQQZFTF-VXGBXAGGSA-N 1 0 259.353 2.196 10 0 CEAERO CC[NH2+][C@H]1COC[C@@H]1c1nc2cc(C)ccc2n1CC ZINC000090472339 179989312 /nfs/dbraw/zinc/98/93/12/179989312.db2.gz YAIFUUALBVKOPZ-JSGCOSHPSA-N 1 0 273.380 2.457 10 0 CEAERO CC(C)C1CCC(C[NH2+][C@H]2CCOC[C@@H]2O)CC1 ZINC000623767423 350108037 /nfs/dbraw/zinc/10/80/37/350108037.db2.gz VPEVNBCENVTIJJ-WUCCLRPBSA-N 1 0 255.402 2.188 10 0 CEAERO O=C(CSCC1C[NH2+]C1)Nc1nc2ccccc2s1 ZINC000090712943 180028403 /nfs/dbraw/zinc/02/84/03/180028403.db2.gz NGCXOOHBZSVZHQ-UHFFFAOYSA-N 1 0 293.417 2.187 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N(CC)CC(CC)CC ZINC000090540581 180000505 /nfs/dbraw/zinc/00/05/05/180000505.db2.gz BUYIMMZAIDBVQD-LSDHHAIUSA-N 1 0 284.444 2.286 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1cccc(SC)c1 ZINC000090538462 180000531 /nfs/dbraw/zinc/00/05/31/180000531.db2.gz OKOSLNSBWDHEKK-ZIAGYGMSSA-N 1 0 294.420 2.362 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)N(CC)c1ccc(F)cc1 ZINC000090544478 180001310 /nfs/dbraw/zinc/00/13/10/180001310.db2.gz AHYNNZLPEPRNBJ-CABCVRRESA-N 1 0 294.370 2.193 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1CN(C)Cc1ccsc1 ZINC000090566146 180005673 /nfs/dbraw/zinc/00/56/73/180005673.db2.gz FBWSEHHRTIOORW-UONOGXRCSA-N 1 0 268.426 2.195 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1CN1Cc2ccccc2C1 ZINC000090566770 180006354 /nfs/dbraw/zinc/00/63/54/180006354.db2.gz PVGPODPMMZZWGO-JKSUJKDBSA-N 1 0 260.381 2.017 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1CN(C)c1ccc(F)cc1 ZINC000090566685 180006451 /nfs/dbraw/zinc/00/64/51/180006451.db2.gz WVBPTFRRMIQZJD-DOMZBBRYSA-N 1 0 266.360 2.277 10 0 CEAERO CC(C)n1c2ccc(F)cc2nc1[C@]1(C)COC[C@@H]1[NH3+] ZINC000090571724 180007271 /nfs/dbraw/zinc/00/72/71/180007271.db2.gz AJNLVORXSKUDII-DZGCQCFKSA-N 1 0 277.343 2.372 10 0 CEAERO C[C@]1(c2nc3ccccc3n2CC(F)(F)F)COC[C@@H]1[NH3+] ZINC000090571872 180007296 /nfs/dbraw/zinc/00/72/96/180007296.db2.gz ANIZLJZNXUEKIJ-AAEUAGOBSA-N 1 0 299.296 2.214 10 0 CEAERO CCCn1c2ccc(C)cc2nc1[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090571697 180007717 /nfs/dbraw/zinc/00/77/17/180007717.db2.gz LPGHYFYKFHVKAO-HOCLYGCPSA-N 1 0 273.380 2.370 10 0 CEAERO CC(C)(c1noc([C@@]2(C)COC[C@@H]2[NH3+])n1)c1ccccc1 ZINC000090573797 180008051 /nfs/dbraw/zinc/00/80/51/180008051.db2.gz VZGSDLKVTJQLPD-LRDDRELGSA-N 1 0 287.363 2.011 10 0 CEAERO C[C@@]1(c2nc(C3CCCCCC3)no2)COC[C@@H]1[NH3+] ZINC000090574156 180008342 /nfs/dbraw/zinc/00/83/42/180008342.db2.gz MTXHZTBAOKLVGT-SMDDNHRTSA-N 1 0 265.357 2.123 10 0 CEAERO C[C@@]1(CN(Cc2ccsc2)C2CC2)COC[C@@H]1[NH3+] ZINC000090606767 180011048 /nfs/dbraw/zinc/01/10/48/180011048.db2.gz SACSYGVDKDDZCM-UONOGXRCSA-N 1 0 266.410 2.076 10 0 CEAERO CCN(c1ccc(C)cc1)[C@H](C[NH3+])CC(OC)OC ZINC000090625274 180015844 /nfs/dbraw/zinc/01/58/44/180015844.db2.gz ICEJXUXEMRRJOR-AWEZNQCLSA-N 1 0 266.385 2.158 10 0 CEAERO C[NH2+][C@](C)(CO)CCCCO[C@H](C)C(F)(F)F ZINC000090675987 180022667 /nfs/dbraw/zinc/02/26/67/180022667.db2.gz FLAOZEMXXKASRC-ZJUUUORDSA-N 1 0 257.296 2.095 10 0 CEAERO C[C@@H]1CC[NH2+]C[C@H]1N1CCC(C(F)(F)F)CC1 ZINC000090695703 180025839 /nfs/dbraw/zinc/02/58/39/180025839.db2.gz HRIQQSVDTSLNPG-MWLCHTKSSA-N 1 0 250.308 2.259 10 0 CEAERO C[NH+](C)C[C@H]1CSCCCN1C(=O)c1cccc(F)c1 ZINC000090699847 180027658 /nfs/dbraw/zinc/02/76/58/180027658.db2.gz IGIVCAWZRWETGH-AWEZNQCLSA-N 1 0 296.411 2.335 10 0 CEAERO C[NH+](C)C[C@H]1CSCCCN1C(=O)c1ccccc1 ZINC000090699803 180027754 /nfs/dbraw/zinc/02/77/54/180027754.db2.gz QGPHDDXYEFFUGP-AWEZNQCLSA-N 1 0 278.421 2.196 10 0 CEAERO COC(=O)c1cc(NC[C@H](C)C[NH+]2CCCCC2)ccn1 ZINC000090737379 180034362 /nfs/dbraw/zinc/03/43/62/180034362.db2.gz PLNVQKZMYCODLA-ZDUSSCGKSA-N 1 0 291.395 2.402 10 0 CEAERO Cc1csc(Cc2noc(-c3csc(C[NH3+])n3)n2)n1 ZINC000090933558 180066671 /nfs/dbraw/zinc/06/66/71/180066671.db2.gz UKKBLMYNGBOVPQ-UHFFFAOYSA-N 1 0 293.377 2.008 10 0 CEAERO Cc1nnc(Sc2ccc(C[C@H](C)[NH3+])cc2F)n1C ZINC000104445810 186004662 /nfs/dbraw/zinc/00/46/62/186004662.db2.gz SCXZBLOSJMMOMS-QMMMGPOBSA-N 1 0 280.372 2.304 10 0 CEAERO CCCOc1cc(OCC2([NH3+])CCCCC2)ncn1 ZINC000090785408 180039897 /nfs/dbraw/zinc/03/98/97/180039897.db2.gz XDAOBNHAXRIBLD-UHFFFAOYSA-N 1 0 265.357 2.306 10 0 CEAERO CCCOc1cc(OCC([NH3+])(CC)CC)ncn1 ZINC000090785409 180040045 /nfs/dbraw/zinc/04/00/45/180040045.db2.gz AMLYTVDSRWSFBL-UHFFFAOYSA-N 1 0 253.346 2.162 10 0 CEAERO CCOc1cc(Oc2ccc(CC[NH3+])cc2)ncn1 ZINC000090784564 180040207 /nfs/dbraw/zinc/04/02/07/180040207.db2.gz FCSCWECCPHFWLM-UHFFFAOYSA-N 1 0 259.309 2.169 10 0 CEAERO CC(C)Oc1cc(N[C@@H](C[NH3+])Cc2ccccc2)ncn1 ZINC000090786638 180040804 /nfs/dbraw/zinc/04/08/04/180040804.db2.gz PTRSKBQYTHNTQB-CQSZACIVSA-N 1 0 286.379 2.246 10 0 CEAERO CC(C)C[NH2+]C[C@@H]1CCCN1c1cc(OC(C)C)ncn1 ZINC000090786385 180040806 /nfs/dbraw/zinc/04/08/06/180040806.db2.gz DFJHSVREVBVYQG-AWEZNQCLSA-N 1 0 292.427 2.478 10 0 CEAERO CCOc1cc(N[C@@H]2CCCCC[C@@H]2[NH3+])nc(C)n1 ZINC000090787869 180041414 /nfs/dbraw/zinc/04/14/14/180041414.db2.gz HHCALFNZRGXIRU-NWDGAFQWSA-N 1 0 264.373 2.256 10 0 CEAERO CCOc1cc(N(CC[NH3+])C(CC)CC)nc(C)n1 ZINC000090788398 180041496 /nfs/dbraw/zinc/04/14/96/180041496.db2.gz CIHNWPDCXXUWQX-UHFFFAOYSA-N 1 0 266.389 2.137 10 0 CEAERO CCOc1cc(NCc2ccccc2C[NH3+])nc(C)n1 ZINC000090787846 180041547 /nfs/dbraw/zinc/04/15/47/180041547.db2.gz GPKDKGLPRBCGIG-UHFFFAOYSA-N 1 0 272.352 2.255 10 0 CEAERO CCCOCCOc1ncccc1C[NH2+]C(C)C ZINC000104445987 186005138 /nfs/dbraw/zinc/00/51/38/186005138.db2.gz ZUBHKWKKUMJDJO-UHFFFAOYSA-N 1 0 252.358 2.385 10 0 CEAERO CCOc1ncnc(OCC2([NH3+])CCCCC2)c1C ZINC000090789843 180041919 /nfs/dbraw/zinc/04/19/19/180041919.db2.gz VQVPGXVBPKKMOX-UHFFFAOYSA-N 1 0 265.357 2.224 10 0 CEAERO COCCCS[C@@H](C[NH3+])c1cccc(OC)c1 ZINC000104445460 186005255 /nfs/dbraw/zinc/00/52/55/186005255.db2.gz BXERCMXEVKIHOD-ZDUSSCGKSA-N 1 0 255.383 2.465 10 0 CEAERO COc1ccc([C@H](C)[NH2+]C[C@H](C)[S@](C)=O)cc1 ZINC000090843426 180044033 /nfs/dbraw/zinc/04/40/33/180044033.db2.gz CFSRQQAITAUHKH-PSVSLLHZSA-N 1 0 255.383 2.113 10 0 CEAERO C[C@H](C[NH2+][C@@H]1CCCc2ccccc21)[S@](C)=O ZINC000090842546 180044619 /nfs/dbraw/zinc/04/46/19/180044619.db2.gz OPNSQTFOXDXNAR-JDSLSITLSA-N 1 0 251.395 2.421 10 0 CEAERO C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1F)[S@](C)=O ZINC000090843471 180044634 /nfs/dbraw/zinc/04/46/34/180044634.db2.gz HZALVXDUBGQACY-KSRUKNBBSA-N 1 0 261.337 2.382 10 0 CEAERO CCC1(CC)[C@H]([NH3+])C[C@@H]1Oc1cccc(S(C)(=O)=O)c1 ZINC000090862038 180046879 /nfs/dbraw/zinc/04/68/79/180046879.db2.gz KOTNDHYHUCVBOP-KGLIPLIRSA-N 1 0 297.420 2.375 10 0 CEAERO C[NH2+][C@H]1CCC[C@H]1CN(C)Cc1scnc1C ZINC000104449398 186006259 /nfs/dbraw/zinc/00/62/59/186006259.db2.gz PKWSWUKKBILUKD-RYUDHWBXSA-N 1 0 253.415 2.271 10 0 CEAERO CC(C)NC(=O)CCSc1cccc(C[NH3+])c1 ZINC000090870462 180049082 /nfs/dbraw/zinc/04/90/82/180049082.db2.gz OGIFPRVUEUPTCJ-UHFFFAOYSA-N 1 0 252.383 2.152 10 0 CEAERO CC(C)[NH2+]Cc1cccc(S[C@H]2CCS(=O)(=O)C2)c1 ZINC000090872064 180049770 /nfs/dbraw/zinc/04/97/70/180049770.db2.gz YOVLHEWCRFITDK-AWEZNQCLSA-N 1 0 299.461 2.464 10 0 CEAERO CC[NH2+]Cc1cccc(SCC(=O)N(C)CC)c1 ZINC000090871351 180049795 /nfs/dbraw/zinc/04/97/95/180049795.db2.gz GQYBSCBNKZWCQU-UHFFFAOYSA-N 1 0 266.410 2.367 10 0 CEAERO CC(C)[NH2+]Cc1cccc(SC[C@@H]2CNC(=O)O2)c1 ZINC000090872034 180049812 /nfs/dbraw/zinc/04/98/12/180049812.db2.gz YKTIIQORYOITKM-LBPRGKRZSA-N 1 0 280.393 2.385 10 0 CEAERO Cc1ccc(C[NH2+]C[C@@H]2Cc3ccccc3O2)cn1 ZINC000090874606 180050836 /nfs/dbraw/zinc/05/08/36/180050836.db2.gz VJIJUKYTYHSAHS-HNNXBMFYSA-N 1 0 254.333 2.483 10 0 CEAERO NC(=S)[C@H]1CCCC[N@@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090874965 180051368 /nfs/dbraw/zinc/05/13/68/180051368.db2.gz KLXFNLDPNOZIFH-QWHCGFSZSA-N 1 0 276.405 2.131 10 0 CEAERO COC(=O)C[C@H]1CCCC[N@@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090876767 180051804 /nfs/dbraw/zinc/05/18/04/180051804.db2.gz NAHXPKPFWRRART-CABCVRRESA-N 1 0 289.375 2.408 10 0 CEAERO C[NH2+]CC1(C[C@@H]2Cc3ccccc3O2)CCOCC1 ZINC000090877340 180052448 /nfs/dbraw/zinc/05/24/48/180052448.db2.gz QWJSAYGSXXDZCO-AWEZNQCLSA-N 1 0 261.365 2.396 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]Cc2cnn(C)c2C)c1C ZINC000090887675 180054143 /nfs/dbraw/zinc/05/41/43/180054143.db2.gz LWDGGLNEABMKIS-SNVBAGLBSA-N 1 0 275.400 2.413 10 0 CEAERO COc1ncccc1C[NH2+]C[C@H]1Cc2cc(F)ccc2O1 ZINC000090892208 180054170 /nfs/dbraw/zinc/05/41/70/180054170.db2.gz ZPDIJIPQJSXOJA-CQSZACIVSA-N 1 0 288.322 2.323 10 0 CEAERO COCC[C@@H](C)[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892913 180054718 /nfs/dbraw/zinc/05/47/18/180054718.db2.gz IMCNLXOYQOIBIL-MFKMUULPSA-N 1 0 253.317 2.144 10 0 CEAERO COc1ccc(C[NH2+]C[C@@H]2Cc3cc(F)ccc3O2)cn1 ZINC000090892747 180055453 /nfs/dbraw/zinc/05/54/53/180055453.db2.gz IWKLIHQPBMKGNE-AWEZNQCLSA-N 1 0 288.322 2.323 10 0 CEAERO CC[C@@]1(C)CN(C[C@@H]2Cc3cc(F)ccc3O2)CC[NH2+]1 ZINC000090896110 180056245 /nfs/dbraw/zinc/05/62/45/180056245.db2.gz JUGGEMBBLVGZGV-HOCLYGCPSA-N 1 0 278.371 2.203 10 0 CEAERO COC(=O)C1CC[NH+](C[C@@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090894709 180056353 /nfs/dbraw/zinc/05/63/53/180056353.db2.gz CEYZULCFPPSVOL-AWEZNQCLSA-N 1 0 293.338 2.014 10 0 CEAERO Cc1ccc2c(c1)C[C@H](COC[C@@H]1CCC[NH2+]C1)O2 ZINC000090899115 180057822 /nfs/dbraw/zinc/05/78/22/180057822.db2.gz GQSYQLIKAWNPQF-UKRRQHHQSA-N 1 0 261.365 2.315 10 0 CEAERO Cc1ccc2c(c1)C[C@H](CN(C)CC[NH2+]CC(C)C)O2 ZINC000090898973 180058246 /nfs/dbraw/zinc/05/82/46/180058246.db2.gz JMNFTEGWOBUTMK-MRXNPFEDSA-N 1 0 276.424 2.476 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[N@@H+](C)C[C@@H](C)C(N)=S)O2 ZINC000090898416 180058328 /nfs/dbraw/zinc/05/83/28/180058328.db2.gz MOGOQNGNWJFHND-DGCLKSJQSA-N 1 0 278.421 2.153 10 0 CEAERO [NH3+]C[C@H]1CCCCN1C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090900072 180058565 /nfs/dbraw/zinc/05/85/65/180058565.db2.gz WPXGLWMEYVBMMR-KGLIPLIRSA-N 1 0 280.799 2.457 10 0 CEAERO Clc1ccc2c(c1)C[C@H](C[NH2+]CCn1cccn1)O2 ZINC000090903932 180059835 /nfs/dbraw/zinc/05/98/35/180059835.db2.gz ZVWLZJADOUJPRY-CYBMUJFWSA-N 1 0 277.755 2.130 10 0 CEAERO CC[NH2+]Cc1ccn(C[C@@H]2Cc3cc(C)ccc3O2)n1 ZINC000090901943 180059842 /nfs/dbraw/zinc/05/98/42/180059842.db2.gz ZIPHTGFQHAROSB-HNNXBMFYSA-N 1 0 271.364 2.305 10 0 CEAERO C[C@@H](C[NH2+]C[C@H]1Cc2cc(Cl)ccc2O1)N(C)C ZINC000090904431 180059866 /nfs/dbraw/zinc/05/98/66/180059866.db2.gz DXYUCPMPOYSIRW-GXFFZTMASA-N 1 0 268.788 2.183 10 0 CEAERO C[C@H](CCO)C[NH2+]C[C@H]1Cc2cc(Cl)ccc2O1 ZINC000090905294 180060132 /nfs/dbraw/zinc/06/01/32/180060132.db2.gz WPIGWZAUJQBEQB-ZWNOBZJWSA-N 1 0 269.772 2.252 10 0 CEAERO COCCC[NH2+]C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090903455 180060460 /nfs/dbraw/zinc/06/04/60/180060460.db2.gz NLVWHDCQUDYJFI-LBPRGKRZSA-N 1 0 255.745 2.270 10 0 CEAERO Cn1cc(C[NH2+]C[C@H]2Cc3cc(Cl)ccc3O2)cn1 ZINC000090903908 180060514 /nfs/dbraw/zinc/06/05/14/180060514.db2.gz LINPFDZVXBOMBL-CYBMUJFWSA-N 1 0 277.755 2.167 10 0 CEAERO [NH3+]C[C@@H](c1ccc2ncccc2c1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905931 180060713 /nfs/dbraw/zinc/06/07/13/180060713.db2.gz LVYRTLUMQIQPOF-UXLLHSPISA-N 1 0 283.375 2.098 10 0 CEAERO CC[NH2+][C@@H](CN1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000090906139 180061130 /nfs/dbraw/zinc/06/11/30/180061130.db2.gz YFDJTGUMCGQUNH-XHSDSOJGSA-N 1 0 260.381 2.200 10 0 CEAERO CCCOc1ccc([C@@H](C[NH3+])N2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090905938 180061377 /nfs/dbraw/zinc/06/13/77/180061377.db2.gz YNPRRHQHZNDZBM-IXDOHACOSA-N 1 0 290.407 2.338 10 0 CEAERO CC[NH2+]CC1(CN2C[C@H]3CC[C@@H](C2)O3)CCCCC1 ZINC000090907476 180062108 /nfs/dbraw/zinc/06/21/08/180062108.db2.gz FKVLNFLMYYBTCZ-GASCZTMLSA-N 1 0 266.429 2.410 10 0 CEAERO C[NH2+]C1(CCN2C[C@H]3CC[C@@H](C2)O3)CCCCC1 ZINC000090908646 180062117 /nfs/dbraw/zinc/06/21/17/180062117.db2.gz XQADWCSAGDIMGN-OKILXGFUSA-N 1 0 252.402 2.162 10 0 CEAERO C[NH2+][C@@H]1CCCc2sc(N3C[C@H]4CC[C@@H](C3)O4)nc21 ZINC000090908131 180062253 /nfs/dbraw/zinc/06/22/53/180062253.db2.gz MEJKEELJTFEJHJ-OUAUKWLOSA-N 1 0 279.409 2.108 10 0 CEAERO COC[C@H](O)CC[NH2+][C@H](C)c1occc1Br ZINC000090953548 180074281 /nfs/dbraw/zinc/07/42/81/180074281.db2.gz RVBISYMKZHKQCX-RKDXNWHRSA-N 1 0 292.173 2.090 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+]C[C@H]1CCC[C@@H]1CO ZINC000090960898 180076033 /nfs/dbraw/zinc/07/60/33/180076033.db2.gz DNPBTHVWZFGEER-VXGBXAGGSA-N 1 0 282.409 2.205 10 0 CEAERO Nc1ccccc1C[NH2+][C@H]1CCC[C@@H]1n1ccnc1 ZINC000090961940 180076406 /nfs/dbraw/zinc/07/64/06/180076406.db2.gz DCGGDHLBLQQWJY-GJZGRUSLSA-N 1 0 256.353 2.349 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000090960826 180076486 /nfs/dbraw/zinc/07/64/86/180076486.db2.gz JKQJGQATKDGHGJ-WCQYABFASA-N 1 0 282.409 2.347 10 0 CEAERO COCC[C@H](C)[NH2+]Cc1ccccc1NC(C)=O ZINC000090962766 180076949 /nfs/dbraw/zinc/07/69/49/180076949.db2.gz FDWKQCVFKRSNIU-NSHDSACASA-N 1 0 250.342 2.160 10 0 CEAERO c1ccc2c(c1)C[C@@H]2CN1CCC[NH2+][C@H](C2CC2)C1 ZINC000090982274 180079556 /nfs/dbraw/zinc/07/95/56/180079556.db2.gz YFBJYKTWHBXNFO-WBVHZDCISA-N 1 0 256.393 2.400 10 0 CEAERO C[C@@H]([NH2+]C[C@H]1Cc2ccccc21)C(=O)N1CCCCC1 ZINC000090992206 180081461 /nfs/dbraw/zinc/08/14/61/180081461.db2.gz AFEHHQCCUZWPHD-UKRRQHHQSA-N 1 0 272.392 2.317 10 0 CEAERO CC(C)(C)OC[C@H](O)C[NH2+]C[C@@H]1Cc2ccccc21 ZINC000090992507 180082357 /nfs/dbraw/zinc/08/23/57/180082357.db2.gz RFKDAVBARVSDHR-UONOGXRCSA-N 1 0 263.381 2.092 10 0 CEAERO CCc1nnc(Cn2cccc2C[NH2+]C(C)(C)C)o1 ZINC000091001555 180083147 /nfs/dbraw/zinc/08/31/47/180083147.db2.gz CGAMMJGEJJPMLZ-UHFFFAOYSA-N 1 0 262.357 2.370 10 0 CEAERO CCC[NH2+]Cc1cccn1CC(=O)NC(C)(C)CC ZINC000090996155 180083272 /nfs/dbraw/zinc/08/32/72/180083272.db2.gz OQWDUXVHYOTJLP-UHFFFAOYSA-N 1 0 265.401 2.293 10 0 CEAERO CCC[NH2+]Cc1cccn1CC(=O)NC(CC)CC ZINC000090996122 180083441 /nfs/dbraw/zinc/08/34/41/180083441.db2.gz GGBGHSIQNDYQLI-UHFFFAOYSA-N 1 0 265.401 2.293 10 0 CEAERO CCCCOCCn1ccc(C[NH2+]CCOC)c1 ZINC000091004661 180084056 /nfs/dbraw/zinc/08/40/56/180084056.db2.gz KPPIYYUPZPIJHK-UHFFFAOYSA-N 1 0 254.374 2.041 10 0 CEAERO CC[C@H]([NH3+])Cc1cn(Cc2ncnn2C)c2ccccc12 ZINC000091005193 180084714 /nfs/dbraw/zinc/08/47/14/180084714.db2.gz JDFKONRDPBXBLT-ZDUSSCGKSA-N 1 0 283.379 2.098 10 0 CEAERO CCCn1ccc(C[NH2+]CCC(=O)N[C@@H](C)CC)c1 ZINC000091012626 180085862 /nfs/dbraw/zinc/08/58/62/180085862.db2.gz MIVPKEZORWGURZ-ZDUSSCGKSA-N 1 0 265.401 2.293 10 0 CEAERO C[NH2+]Cc1cn(Cc2cscn2)c2ncccc12 ZINC000091019602 180087734 /nfs/dbraw/zinc/08/77/34/180087734.db2.gz PMBDNETXGFWFNZ-UHFFFAOYSA-N 1 0 258.350 2.261 10 0 CEAERO C[C@@H]1CCC[C@H](C[NH3+])N1Cc1c[nH]c2ncccc12 ZINC000091019714 180087988 /nfs/dbraw/zinc/08/79/88/180087988.db2.gz SFOJJYRPMYJOGE-DGCLKSJQSA-N 1 0 258.369 2.265 10 0 CEAERO CC[NH2+]Cc1cn(Cc2cc(C)nn2C)c2ncccc12 ZINC000091019897 180088012 /nfs/dbraw/zinc/08/80/12/180088012.db2.gz PIFBVGIGDXMEMY-UHFFFAOYSA-N 1 0 283.379 2.236 10 0 CEAERO CCn1cccc1C[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000091022746 180088653 /nfs/dbraw/zinc/08/86/53/180088653.db2.gz MNUDHAOQLOYUFY-AWEZNQCLSA-N 1 0 261.369 2.494 10 0 CEAERO CCn1nc(C)cc1Cn1cc(CC[NH3+])c2cccnc21 ZINC000091021397 180089030 /nfs/dbraw/zinc/08/90/30/180089030.db2.gz XNDIRHLDLJVOHH-UHFFFAOYSA-N 1 0 283.379 2.111 10 0 CEAERO CCCn1cccc1C[NH2+]C1CCC(C(N)=O)CC1 ZINC000091025225 180089335 /nfs/dbraw/zinc/08/93/35/180089335.db2.gz SHFCWTMPDPUTRG-UHFFFAOYSA-N 1 0 263.385 2.032 10 0 CEAERO CCn1cccc1C[NH2+][C@@H]1CCCc2c1cnn2C ZINC000091024648 180089563 /nfs/dbraw/zinc/08/95/63/180089563.db2.gz LHUDOAFQOIFLQV-CQSZACIVSA-N 1 0 258.369 2.409 10 0 CEAERO C[C@@H]1CCCC[C@H]1OC(=O)c1csc(CC[NH3+])n1 ZINC000090939623 180068009 /nfs/dbraw/zinc/06/80/09/180068009.db2.gz NUCIOCCGCWUPBN-MWLCHTKSSA-N 1 0 268.382 2.380 10 0 CEAERO C[C@H](NC(=O)c1csc(CC[NH3+])n1)c1ccccc1F ZINC000090949113 180070851 /nfs/dbraw/zinc/07/08/51/180070851.db2.gz ALMPEZDOBFXHOE-VIFPVBQESA-N 1 0 293.367 2.274 10 0 CEAERO CC[C@@](C)(C[NH3+])[C@](C)(O)COCc1ccccc1 ZINC000669377440 539760687 /nfs/dbraw/zinc/76/06/87/539760687.db2.gz PXNCXSMXJMBYLA-LSDHHAIUSA-N 1 0 251.370 2.329 10 0 CEAERO C(c1nnc(C2CCCCC2)[nH]1)[C@@H]1CSCC[NH2+]1 ZINC000091129555 180100810 /nfs/dbraw/zinc/10/08/10/180100810.db2.gz WSMMVKPFPFXUQM-LLVKDONJSA-N 1 0 266.414 2.100 10 0 CEAERO C[C@H](OC(=O)C[C@H]1CSCC[NH2+]1)c1ccccc1 ZINC000091129960 180101217 /nfs/dbraw/zinc/10/12/17/180101217.db2.gz SRPBTGARHVJFKT-AAEUAGOBSA-N 1 0 265.378 2.386 10 0 CEAERO CCN(Cc1cccs1)[C@H](C[NH3+])CC(=O)NC(C)(C)C ZINC000091321242 180134671 /nfs/dbraw/zinc/13/46/71/180134671.db2.gz JUQOLWNQCOTFSU-LBPRGKRZSA-N 1 0 297.468 2.202 10 0 CEAERO Cc1cccc(N[C@@H](C[NH3+])CC(=O)N2CCCCC2)c1 ZINC000091325681 180135355 /nfs/dbraw/zinc/13/53/55/180135355.db2.gz MDNLVGDMVDKFPG-OAHLLOKOSA-N 1 0 275.396 2.137 10 0 CEAERO CC(C)n1ccc(C[C@@](C[NH3+])(c2ccccc2)[C@@H](C)O)n1 ZINC000091327596 180135748 /nfs/dbraw/zinc/13/57/48/180135748.db2.gz HEHKSTOJAIUOFG-PBHICJAKSA-N 1 0 287.407 2.284 10 0 CEAERO CCc1c(C[NH2+]C)cnn1-c1ccc(Br)cn1 ZINC000091339901 180136262 /nfs/dbraw/zinc/13/62/62/180136262.db2.gz YTPFVYCJEYPNRZ-UHFFFAOYSA-N 1 0 295.184 2.312 10 0 CEAERO CCc1c(C[NH2+]CCOC)cnn1-c1ccc(C)cc1 ZINC000091335275 180136480 /nfs/dbraw/zinc/13/64/80/180136480.db2.gz HYTJMTFYUAMAOX-UHFFFAOYSA-N 1 0 273.380 2.479 10 0 CEAERO C[NH2+]Cc1cnn(-c2ccccc2OC)c1C1CC1 ZINC000091338674 180136691 /nfs/dbraw/zinc/13/66/91/180136691.db2.gz UUPQQVGSYFGIFG-UHFFFAOYSA-N 1 0 257.337 2.478 10 0 CEAERO O=C(NCc1ccco1)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091358642 180140228 /nfs/dbraw/zinc/14/02/28/180140228.db2.gz GGFZVFXXMAMSME-UBHSHLNASA-N 1 0 262.353 2.207 10 0 CEAERO Cc1nn(C)c(SC[C@@H](C)CO)c1C[NH2+]CC(C)C ZINC000091259796 180116152 /nfs/dbraw/zinc/11/61/52/180116152.db2.gz DDGSZOUICIGFOK-NSHDSACASA-N 1 0 285.457 2.195 10 0 CEAERO CN1CCC[C@H](C[NH2+]C2CC2)[C@@H]1c1cncn1C1CC1 ZINC000091275403 180119032 /nfs/dbraw/zinc/11/90/32/180119032.db2.gz NOIBLIQCECXMII-MLGOLLRUSA-N 1 0 274.412 2.353 10 0 CEAERO CC[NH2+][C@H](CC(=O)OCC)c1cncn1C(C)C ZINC000091274088 180119129 /nfs/dbraw/zinc/11/91/29/180119129.db2.gz FSXBZONVGVSFQN-LLVKDONJSA-N 1 0 253.346 2.068 10 0 CEAERO C[C@@H]1CCCN([C@@H](C[NH3+])c2cncn2C2CC2)CC1 ZINC000091276563 180120075 /nfs/dbraw/zinc/12/00/75/180120075.db2.gz IHZZGBRLCSZELG-OCCSQVGLSA-N 1 0 262.401 2.340 10 0 CEAERO CC[C@@H](C)CN(C)[C@@H](C[NH3+])c1cncn1C1CC1 ZINC000091276239 180120329 /nfs/dbraw/zinc/12/03/29/180120329.db2.gz QKZVQODYIMYQGN-YPMHNXCESA-N 1 0 250.390 2.196 10 0 CEAERO COc1cc(C[NH3+])cc(Cl)c1OCc1cncn1C ZINC000091278232 180120881 /nfs/dbraw/zinc/12/08/81/180120881.db2.gz FTMUUXODKUVDMD-UHFFFAOYSA-N 1 0 281.743 2.120 10 0 CEAERO CCC[NH2+]Cc1ccc(OCc2cncn2C)cc1 ZINC000091278256 180120912 /nfs/dbraw/zinc/12/09/12/180120912.db2.gz JQMCBETVWVXIBS-UHFFFAOYSA-N 1 0 259.353 2.499 10 0 CEAERO CCN(CC[C@H]1CSCC[NH2+]1)Cc1ccco1 ZINC000091292082 180123702 /nfs/dbraw/zinc/12/37/02/180123702.db2.gz QBOOLTHRDWQDJQ-LBPRGKRZSA-N 1 0 254.399 2.197 10 0 CEAERO CN(CC[C@H]1CSCC[NH2+]1)Cc1ccccc1F ZINC000091292058 180123707 /nfs/dbraw/zinc/12/37/07/180123707.db2.gz CEMVYCLCAGLHGE-ZDUSSCGKSA-N 1 0 268.401 2.353 10 0 CEAERO COc1ccccc1CN(C)CC[C@H]1CSCC[NH2+]1 ZINC000091292078 180123788 /nfs/dbraw/zinc/12/37/88/180123788.db2.gz JZUMDEGQMZCNDM-AWEZNQCLSA-N 1 0 280.437 2.222 10 0 CEAERO CCCn1c(C[C@@H]2C[NH2+]CCO2)nc2cc(C)ccc21 ZINC000091293197 180124056 /nfs/dbraw/zinc/12/40/56/180124056.db2.gz FIXZHIAWWMHZMR-CYBMUJFWSA-N 1 0 273.380 2.286 10 0 CEAERO CCCn1c(C[C@H]2C[NH2+]CCO2)nc2cc(F)ccc21 ZINC000091293216 180124318 /nfs/dbraw/zinc/12/43/18/180124318.db2.gz AJDBXWBFXRVTFK-LBPRGKRZSA-N 1 0 277.343 2.116 10 0 CEAERO CNc1ccc(Cl)c(CN2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000091432868 180153863 /nfs/dbraw/zinc/15/38/63/180153863.db2.gz ONMNVYISERJRLM-LLVKDONJSA-N 1 0 282.819 2.303 10 0 CEAERO C[C@@H]([NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccncc1 ZINC000091437270 180155130 /nfs/dbraw/zinc/15/51/30/180155130.db2.gz XRGCLWWDSXMYMP-XBFCOCLRSA-N 1 0 282.409 2.088 10 0 CEAERO C[C@H]1C[N@H+](C[C@H](O)COCc2ccccc2)C[C@H]1C ZINC000091440168 180157036 /nfs/dbraw/zinc/15/70/36/180157036.db2.gz ABJFZFPBRCBXMV-LZWOXQAQSA-N 1 0 263.381 2.152 10 0 CEAERO O=C(c1ccncc1Cl)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000091456904 180160227 /nfs/dbraw/zinc/16/02/27/180160227.db2.gz CSXTWHFCXCFENN-KGLIPLIRSA-N 1 0 293.798 2.482 10 0 CEAERO C[C@H]1CCC[C@@H](C[NH3+])N1C(=O)c1ccncc1Cl ZINC000091457034 180160285 /nfs/dbraw/zinc/16/02/85/180160285.db2.gz ZEYVAEDZEXOJHR-UWVGGRQHSA-N 1 0 267.760 2.077 10 0 CEAERO [NH3+]Cc1ccccc1NC(=O)c1ccncc1Cl ZINC000091457082 180160435 /nfs/dbraw/zinc/16/04/35/180160435.db2.gz HGZUDKNZGZYXFF-UHFFFAOYSA-N 1 0 261.712 2.446 10 0 CEAERO CC[C@](C)([NH3+])c1noc(-c2ccncc2Cl)n1 ZINC000091464179 180163166 /nfs/dbraw/zinc/16/31/66/180163166.db2.gz AAYDPRLVGDICJW-NSHDSACASA-N 1 0 252.705 2.369 10 0 CEAERO CCC[NH2+]C[C@H](O)Cc1ccc(OC(F)(F)F)cc1 ZINC000091467685 180164218 /nfs/dbraw/zinc/16/42/18/180164218.db2.gz ATKKRGBJKGUIBQ-LLVKDONJSA-N 1 0 277.286 2.488 10 0 CEAERO COCC[NH2+]C[C@@H](O)Cc1ccc(C(C)(C)C)cc1 ZINC000091469874 180164905 /nfs/dbraw/zinc/16/49/05/180164905.db2.gz IRAQHKPJCUCDIK-HNNXBMFYSA-N 1 0 265.397 2.124 10 0 CEAERO CN(CC1CC([NH3+])C1)C(=O)[C@H]1CCCc2ccccc21 ZINC000091471960 180165228 /nfs/dbraw/zinc/16/52/28/180165228.db2.gz VHMSXDRKFIVOMZ-PXCJXSSVSA-N 1 0 272.392 2.302 10 0 CEAERO CC(C)c1cccc(NC(=O)C[N@H+](C)CC2CC(O)C2)c1 ZINC000091490047 180169383 /nfs/dbraw/zinc/16/93/83/180169383.db2.gz IXIQFGWYNCCTOM-UHFFFAOYSA-N 1 0 290.407 2.451 10 0 CEAERO Cc1ccccc1[C@H](N)CC[N@@H+](C)CC1CC(O)C1 ZINC000091490363 180170058 /nfs/dbraw/zinc/17/00/58/180170058.db2.gz VINXPRJTXZIVJQ-ZBCRRDGASA-N 1 0 262.397 2.088 10 0 CEAERO CCCc1ccc(S(=O)(=O)N[C@H]2CCC[NH2+][C@H]2C)cc1 ZINC000091496819 180172486 /nfs/dbraw/zinc/17/24/86/180172486.db2.gz QZAHAXFLVKRFHU-WFASDCNBSA-N 1 0 296.436 2.058 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)Nc1ccccc1F ZINC000091496770 180172562 /nfs/dbraw/zinc/17/25/62/180172562.db2.gz SOJDSZKFCFUSGJ-KOLCDFICSA-N 1 0 251.305 2.088 10 0 CEAERO CC[C@@H]1CCc2nc([C@H]3C[NH2+]CCO3)sc2C1 ZINC000091501364 180174497 /nfs/dbraw/zinc/17/44/97/180174497.db2.gz GICMNZPRZMIHIN-MWLCHTKSSA-N 1 0 252.383 2.319 10 0 CEAERO Cc1cccnc1C[C@H]([NH3+])c1ccc2c(c1)OCO2 ZINC000091383828 180144112 /nfs/dbraw/zinc/14/41/12/180144112.db2.gz ZILJQJJZPZWYAE-LBPRGKRZSA-N 1 0 256.305 2.361 10 0 CEAERO COc1ccc(C(=O)[C@H](C)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091394263 180145673 /nfs/dbraw/zinc/14/56/73/180145673.db2.gz YXUIOGDTNVSAAO-ZFWWWQNUSA-N 1 0 290.407 2.292 10 0 CEAERO CCC[NH2+][C@@H](C)C(C)(C)CN1CCn2ccnc2C1 ZINC000091404858 180147150 /nfs/dbraw/zinc/14/71/50/180147150.db2.gz ZFZMFANQWDCSLP-ZDUSSCGKSA-N 1 0 264.417 2.113 10 0 CEAERO CCN(c1ccc(NC(=O)C2C[NH2+]C2)cc1)C(C)C ZINC000091408645 180148265 /nfs/dbraw/zinc/14/82/65/180148265.db2.gz ICQQEEHHWHVMKO-UHFFFAOYSA-N 1 0 261.369 2.079 10 0 CEAERO CC(C)N(Cc1cccs1)c1cncc(C[NH3+])n1 ZINC000091420504 180150508 /nfs/dbraw/zinc/15/05/08/180150508.db2.gz LGIBXHXOQJUAMM-UHFFFAOYSA-N 1 0 262.382 2.412 10 0 CEAERO CCC(CC)CN(CC)c1cncc(C[NH2+]C)n1 ZINC000091420252 180150792 /nfs/dbraw/zinc/15/07/92/180150792.db2.gz QMOINQOEGWNQTN-UHFFFAOYSA-N 1 0 250.390 2.459 10 0 CEAERO CCN(c1cncc(C[NH2+]C(C)(C)C)n1)[C@H](C)COC ZINC000091419852 180150830 /nfs/dbraw/zinc/15/08/30/180150830.db2.gz JJQHJROKQYCCIM-GFCCVEGCSA-N 1 0 280.416 2.226 10 0 CEAERO C[NH2+]Cc1cncc(N(CC(C)C)CC(C)C)n1 ZINC000091419728 180150962 /nfs/dbraw/zinc/15/09/62/180150962.db2.gz ZKUADPKYMMARNT-UHFFFAOYSA-N 1 0 250.390 2.314 10 0 CEAERO CC[C@@H](C)N(C)c1cncc(C[NH2+]CC(C)C)n1 ZINC000091419059 180150992 /nfs/dbraw/zinc/15/09/92/180150992.db2.gz HTOFJFZHMXJXFR-GFCCVEGCSA-N 1 0 250.390 2.457 10 0 CEAERO C[NH2+][C@H](Cc1cccnc1N)C(C)(C)N1CCCCC1 ZINC000091564804 180193444 /nfs/dbraw/zinc/19/34/44/180193444.db2.gz UEUPXZPMBHMKML-CQSZACIVSA-N 1 0 276.428 2.059 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H]([NH+](C)C)C2)o1 ZINC000105087007 186041181 /nfs/dbraw/zinc/04/11/81/186041181.db2.gz WTDGMGVMLGARLE-CHWSQXEVSA-N 1 0 279.384 2.385 10 0 CEAERO Cc1ccc(F)c([C@@H]([NH3+])C(C)(C)N2CCOCC2)c1 ZINC000091566318 180194066 /nfs/dbraw/zinc/19/40/66/180194066.db2.gz KLAKIUUUWFIALV-CQSZACIVSA-N 1 0 266.360 2.245 10 0 CEAERO C[NH2+][C@@H](c1csc(C)c1)C(C)(C)N1CCOCC1 ZINC000091566628 180194196 /nfs/dbraw/zinc/19/41/96/180194196.db2.gz ZIBUXXGFXNEHRG-ZDUSSCGKSA-N 1 0 268.426 2.428 10 0 CEAERO CC[NH2+][C@H](c1cccc(OC)c1)C(C)(C)N1CCOCC1 ZINC000091566835 180194662 /nfs/dbraw/zinc/19/46/62/180194662.db2.gz CDCVNKQNRGGFEV-MRXNPFEDSA-N 1 0 292.423 2.457 10 0 CEAERO C[NH2+][C@@H](c1ccc(C)s1)C(C)(C)N1CCOCC1 ZINC000091566758 180194881 /nfs/dbraw/zinc/19/48/81/180194881.db2.gz OPYJSXVZQLKYSE-ZDUSSCGKSA-N 1 0 268.426 2.428 10 0 CEAERO CC[NH2+][C@H](Cc1ccc(F)cc1)C(C)(C)N1CCOCC1 ZINC000091566971 180195039 /nfs/dbraw/zinc/19/50/39/180195039.db2.gz NTOWTBKURDPGIX-MRXNPFEDSA-N 1 0 294.414 2.457 10 0 CEAERO CC[C@@](C)([C@@H](O)Cc1cccc(OC)c1)[NH+](C)C ZINC000091569550 180195293 /nfs/dbraw/zinc/19/52/93/180195293.db2.gz BMDUQOCWAIGYNH-GJZGRUSLSA-N 1 0 251.370 2.329 10 0 CEAERO CC[C@@](C)([C@@H](N)c1ccc2c(c1)OCCO2)[NH+](C)C ZINC000091569882 180195683 /nfs/dbraw/zinc/19/56/83/180195683.db2.gz XPGWPINFESZMKG-GJZGRUSLSA-N 1 0 264.369 2.188 10 0 CEAERO CCCC1CCC([NH2+][C@H]2CC(=O)N(C(C)C)C2=O)CC1 ZINC000105101790 186041747 /nfs/dbraw/zinc/04/17/47/186041747.db2.gz HTBGPXOLOKTTAG-RUXDESIVSA-N 1 0 280.412 2.471 10 0 CEAERO CCC[NH2+][C@H](c1ccnn1C)[C@](C)(CC)N(C)C ZINC000091572027 180196059 /nfs/dbraw/zinc/19/60/59/180196059.db2.gz KLWUJKJICBRNGH-KGLIPLIRSA-N 1 0 252.406 2.191 10 0 CEAERO CCC[NH2+][C@H](Cc1ccnc(N)c1)[C@](C)(CC)N(C)C ZINC000091571755 180196081 /nfs/dbraw/zinc/19/60/81/180196081.db2.gz QIIRGBCTOGAUQA-ZBFHGGJFSA-N 1 0 278.444 2.305 10 0 CEAERO CCC[NH2+][C@@H](c1cnn(C)c1)[C@@](C)(CC)N(C)C ZINC000091572020 180196727 /nfs/dbraw/zinc/19/67/27/180196727.db2.gz ANWLKOWJALBRBV-UONOGXRCSA-N 1 0 252.406 2.191 10 0 CEAERO CC(C)c1nn(C)c(NC[C@H]2CCCC[N@@H+]2C)c1N ZINC000091580892 180198695 /nfs/dbraw/zinc/19/86/95/180198695.db2.gz JXHWDLZRBGZCMJ-LLVKDONJSA-N 1 0 265.405 2.022 10 0 CEAERO CCN(CC)[C@](C)(CC)[C@H](Cc1ccnc(N)c1)[NH2+]C ZINC000091599129 180202025 /nfs/dbraw/zinc/20/20/25/180202025.db2.gz ATAHKMMZECLDBV-GOEBONIOSA-N 1 0 278.444 2.305 10 0 CEAERO CCC[NH2+][C@@H](Cc1ncnn1C)[C@@](C)(CC)N(CC)CC ZINC000091601503 180203125 /nfs/dbraw/zinc/20/31/25/180203125.db2.gz UIWMSHMJPHLYMY-GOEBONIOSA-N 1 0 295.475 2.236 10 0 CEAERO CC[C@](C)([C@@H](O)Cc1ncnn1CC(C)C)[NH+]1CCCC1 ZINC000091603499 180203389 /nfs/dbraw/zinc/20/33/89/180203389.db2.gz SDNAOOQILMLUDL-GOEBONIOSA-N 1 0 294.443 2.102 10 0 CEAERO CC[C@](C)([C@@H](NC)c1c(C)ccnc1N)[NH+]1CCCC1 ZINC000091606146 180204154 /nfs/dbraw/zinc/20/41/54/180204154.db2.gz COZLBKAEWAQGJT-GOEBONIOSA-N 1 0 276.428 2.497 10 0 CEAERO CC[C@@](C)([C@@H](N)c1cc(C)cnc1N)[NH+]1CCCC1 ZINC000091604820 180204328 /nfs/dbraw/zinc/20/43/28/180204328.db2.gz LSZWFGRIHFACPZ-ZFWWWQNUSA-N 1 0 262.401 2.237 10 0 CEAERO CC[C@](C)([C@H](N)C1CCOCC1)[NH+]1CCCCC1 ZINC000091608954 180205343 /nfs/dbraw/zinc/20/53/43/180205343.db2.gz BPRZZOZNOAWIOL-HUUCEWRRSA-N 1 0 254.418 2.395 10 0 CEAERO CCn1cc(C[C@H](O)[C@@](C)(CC)[NH+]2CCCCC2)cn1 ZINC000091608480 180205912 /nfs/dbraw/zinc/20/59/12/180205912.db2.gz SMZBYUJYELEYNX-JKSUJKDBSA-N 1 0 279.428 2.461 10 0 CEAERO CC[C@](C)([C@H]([NH3+])c1cccc(OC)c1)N1CCOCC1 ZINC000091611690 180206746 /nfs/dbraw/zinc/20/67/46/180206746.db2.gz JKLUNDRWURJEKC-HZPDHXFCSA-N 1 0 278.396 2.196 10 0 CEAERO CC[C@@](C)([C@@H](O)c1cccs1)[NH+]1CCOCC1 ZINC000091611055 180206818 /nfs/dbraw/zinc/20/68/18/180206818.db2.gz QIUHKZLCQLZPEF-STQMWFEESA-N 1 0 255.383 2.282 10 0 CEAERO CC[C@](C)([C@@H]([NH3+])c1ccc(OC)c(F)c1)N1CCOCC1 ZINC000091612164 180207145 /nfs/dbraw/zinc/20/71/45/180207145.db2.gz HYVCNWFLJVRDSB-JKSUJKDBSA-N 1 0 296.386 2.335 10 0 CEAERO CC[C@@](C)([C@@H](CCC1CC1)[NH2+]C)N1CCOCC1 ZINC000091612545 180207176 /nfs/dbraw/zinc/20/71/76/180207176.db2.gz SBLVMAQGDCSSRW-CABCVRRESA-N 1 0 254.418 2.266 10 0 CEAERO CC[NH+](CC)C(CC)(CC)[C@@H](O)c1cncnc1 ZINC000091615586 180207965 /nfs/dbraw/zinc/20/79/65/180207965.db2.gz FMEHHKOJBYAAEN-ZDUSSCGKSA-N 1 0 251.374 2.411 10 0 CEAERO CC[NH2+][C@@H](Cc1cc(C)nn1C)C(CC)(CC)N(C)C ZINC000091614815 180208151 /nfs/dbraw/zinc/20/81/51/180208151.db2.gz FZERTBSFDNDLKM-HNNXBMFYSA-N 1 0 280.460 2.370 10 0 CEAERO CCC[NH2+][C@@H](c1cnccn1)[C@@](C)(CC)N1CCOCC1 ZINC000091613097 180208177 /nfs/dbraw/zinc/20/81/77/180208177.db2.gz IEUSQAMPKPUTIC-JKSUJKDBSA-N 1 0 292.427 2.018 10 0 CEAERO CCC[NH2+][C@H](Cc1cnn(C)c1)C(CC)(CC)N(C)C ZINC000091615033 180208235 /nfs/dbraw/zinc/20/82/35/180208235.db2.gz QPDNGHHEEWGEIG-OAHLLOKOSA-N 1 0 280.460 2.451 10 0 CEAERO Cc1cc(F)cc(N[C@]2(CO)CC[N@@H+](C3CC3)C2)c1 ZINC000091517825 180177420 /nfs/dbraw/zinc/17/74/20/180177420.db2.gz UUXKFXKDMWQEHQ-OAHLLOKOSA-N 1 0 264.344 2.145 10 0 CEAERO COc1ccc([C@H](C)[NH2+]CC2CC(O)C2)c(OC)c1 ZINC000091524945 180178697 /nfs/dbraw/zinc/17/86/97/180178697.db2.gz JVRGOYTVJMYMMC-UNXYVOJBSA-N 1 0 265.353 2.125 10 0 CEAERO [NH3+]C1CC(CNC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000091525401 180179075 /nfs/dbraw/zinc/17/90/75/180179075.db2.gz YICVIFJVQNDKEX-UHFFFAOYSA-N 1 0 262.397 2.056 10 0 CEAERO CCCn1nccc1[C@@H]([NH2+]CC)C(C)(C)N(C)C ZINC000091529023 180180255 /nfs/dbraw/zinc/18/02/55/180180255.db2.gz VCNBMGCFUNFNBD-CYBMUJFWSA-N 1 0 252.406 2.284 10 0 CEAERO CC[NH+](CC)C(C)(C)[C@@H](N)Cc1csc(C)n1 ZINC000091530447 180180551 /nfs/dbraw/zinc/18/05/51/180180551.db2.gz XUOQHUJXGNGELB-LBPRGKRZSA-N 1 0 255.431 2.442 10 0 CEAERO CC[NH2+][C@@H](Cc1nn(C)c2ccccc12)C(C)(C)N(C)C ZINC000091528958 180180931 /nfs/dbraw/zinc/18/09/31/180180931.db2.gz SIOYUAJHCWYQGX-INIZCTEOSA-N 1 0 288.439 2.434 10 0 CEAERO CC(C)n1ncc2cc(NC(=O)[C@H]3CC[C@@H]([NH3+])C3)cnc21 ZINC000091542449 180184415 /nfs/dbraw/zinc/18/44/15/180184415.db2.gz WIHPSBLGGUUMNH-CMPLNLGQSA-N 1 0 287.367 2.078 10 0 CEAERO [NH3+][C@H]1CC[C@@H](C(=O)NCc2ccccc2C(F)(F)F)C1 ZINC000091549120 180188477 /nfs/dbraw/zinc/18/84/77/180188477.db2.gz DHMYUHQZNQHKSN-KOLCDFICSA-N 1 0 286.297 2.449 10 0 CEAERO CCC(CC)([C@@H](O)c1cccnc1N)[NH+]1CCCC1 ZINC000091634493 180210316 /nfs/dbraw/zinc/21/03/16/180210316.db2.gz PIQORMWWLCYKAV-ZDUSSCGKSA-N 1 0 263.385 2.352 10 0 CEAERO CCC(CC)([C@H](O)c1cnn(C)c1)[NH+]1CCCC1 ZINC000091634610 180211541 /nfs/dbraw/zinc/21/15/41/180211541.db2.gz KPXRINOOVRLHGT-CYBMUJFWSA-N 1 0 251.374 2.108 10 0 CEAERO CC[NH+](CC)C1([C@@H](N)Cc2cccnc2N)CCCC1 ZINC000091639177 180211940 /nfs/dbraw/zinc/21/19/40/180211940.db2.gz DFEJKDKRNVKVLZ-AWEZNQCLSA-N 1 0 276.428 2.188 10 0 CEAERO CC[NH+](CC)C1([C@H](O)Cc2cccnc2N)CCCC1 ZINC000091638948 180212167 /nfs/dbraw/zinc/21/21/67/180212167.db2.gz WWMVEFXAOUNQCP-CQSZACIVSA-N 1 0 277.412 2.222 10 0 CEAERO CCN(CC)C1([C@H](Cc2cccnc2N)[NH2+]C)CCCC1 ZINC000091639496 180212280 /nfs/dbraw/zinc/21/22/80/180212280.db2.gz BUJWFEWQLGISNV-HNNXBMFYSA-N 1 0 290.455 2.449 10 0 CEAERO CC[NH+](CC)C1([C@@H](N)Cc2cc(C)nn2C)CCCC1 ZINC000091639253 180212394 /nfs/dbraw/zinc/21/23/94/180212394.db2.gz WASGFHUPBCYEID-HNNXBMFYSA-N 1 0 278.444 2.253 10 0 CEAERO CCC[NH2+][C@H](Cc1ncnn1CC)C1(N(C)C)CCCC1 ZINC000091638504 180212586 /nfs/dbraw/zinc/21/25/86/180212586.db2.gz HOXHWVQPTKCZJU-CQSZACIVSA-N 1 0 293.459 2.083 10 0 CEAERO CN[C@H](c1cccc(F)c1F)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721415 180239216 /nfs/dbraw/zinc/23/92/16/180239216.db2.gz FPMCLFUBTFQLJM-WDBKCZKBSA-N 1 0 282.334 2.089 10 0 CEAERO CCn1cc([C@H](O)C2([NH+]3CCCC3)CCCC2)cn1 ZINC000091640200 180212870 /nfs/dbraw/zinc/21/28/70/180212870.db2.gz OAIPDXNFFROLKH-AWEZNQCLSA-N 1 0 263.385 2.345 10 0 CEAERO CCn1nc(C)cc1C[C@@H](N)C1([NH+]2CCCC2)CCCC1 ZINC000091640675 180212932 /nfs/dbraw/zinc/21/29/32/180212932.db2.gz YWOFSMPAFXZTDR-MRXNPFEDSA-N 1 0 290.455 2.490 10 0 CEAERO CN[C@H](c1cnn(C)c1)C1([NH+]2CCCC2)CCCC1 ZINC000091640982 180213489 /nfs/dbraw/zinc/21/34/89/180213489.db2.gz XZACZLDEAKSQGJ-CQSZACIVSA-N 1 0 262.401 2.089 10 0 CEAERO [NH3+][C@H](c1ccsc1)C1(N2CCOCC2)CCCC1 ZINC000091642853 180213990 /nfs/dbraw/zinc/21/39/90/180213990.db2.gz MYKOKJUBLRNJPD-CYBMUJFWSA-N 1 0 266.410 2.393 10 0 CEAERO CCCn1ncnc1CC(=O)C1([NH+](C)C)CCCCC1 ZINC000091646579 180215834 /nfs/dbraw/zinc/21/58/34/180215834.db2.gz DAXQSFNUUYCAOG-UHFFFAOYSA-N 1 0 278.400 2.064 10 0 CEAERO C[NH2+][C@H](Cc1ccnc(N)c1)C1(N(C)C)CCCCCC1 ZINC000091654404 180217347 /nfs/dbraw/zinc/21/73/47/180217347.db2.gz MKDQFDDGLPDCLB-OAHLLOKOSA-N 1 0 290.455 2.449 10 0 CEAERO CC(C)[N@@H+]1CC[C@H](CNc2nc(Cl)ncc2F)C1 ZINC000091655543 180217884 /nfs/dbraw/zinc/21/78/84/180217884.db2.gz IZRIUCATEYGRQT-SECBINFHSA-N 1 0 272.755 2.411 10 0 CEAERO Cc1cc(C)cc(CC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000091714071 180231630 /nfs/dbraw/zinc/23/16/30/180231630.db2.gz WCZKPMVWPZIGKN-WBVHZDCISA-N 1 0 273.376 2.278 10 0 CEAERO CC[NH+](CC)CC[C@@H](NC)c1cc(Cl)cnc1N ZINC000091716035 180232285 /nfs/dbraw/zinc/23/22/85/180232285.db2.gz YXBAWWJKZFDBFL-GFCCVEGCSA-N 1 0 270.808 2.310 10 0 CEAERO C[NH2+][C@@H](c1ccc(OC(C)C)cc1)[C@@H]1CN(C)CCO1 ZINC000091717603 180232560 /nfs/dbraw/zinc/23/25/60/180232560.db2.gz RZPMPTUDQWIRFW-HOTGVXAUSA-N 1 0 278.396 2.065 10 0 CEAERO CCCN[C@@H](CC[NH+](CC)CC)c1ccnn1C ZINC000091716890 180232645 /nfs/dbraw/zinc/23/26/45/180232645.db2.gz MDHCKVIMJCHDNU-ZDUSSCGKSA-N 1 0 252.406 2.193 10 0 CEAERO C[NH2+][C@@H](c1ccccc1C(F)(F)F)[C@@H]1CN(C)CCO1 ZINC000091717726 180232670 /nfs/dbraw/zinc/23/26/70/180232670.db2.gz YMXOENWVMLLFDP-STQMWFEESA-N 1 0 288.313 2.297 10 0 CEAERO CC[NH2+][C@H](C[C@@H]1Cc2ccccc21)[C@@H]1CN(C)CCO1 ZINC000091718399 180233120 /nfs/dbraw/zinc/23/31/20/180233120.db2.gz DQACFDRBVRDCLJ-UAGQMJEPSA-N 1 0 274.408 2.025 10 0 CEAERO CC[NH2+][C@H](c1ccc(OC(C)C)cc1)[C@H]1CN(C)CCO1 ZINC000091718321 180233816 /nfs/dbraw/zinc/23/38/16/180233816.db2.gz XCIBQDMMNGMJPG-IAGOWNOFSA-N 1 0 292.423 2.455 10 0 CEAERO CCC[NH2+][C@H](c1ccc(OCC)cc1)[C@H]1CN(C)CCO1 ZINC000091719089 180234304 /nfs/dbraw/zinc/23/43/04/180234304.db2.gz LXOPXURFXIYDOU-IAGOWNOFSA-N 1 0 292.423 2.457 10 0 CEAERO CCC[NH2+][C@H](Cc1cccc(C)c1)[C@@H]1CN(C)CCO1 ZINC000091719243 180234329 /nfs/dbraw/zinc/23/43/29/180234329.db2.gz DYYYEMLMCPVFTQ-SJORKVTESA-N 1 0 276.424 2.236 10 0 CEAERO CCC[NH2+][C@H](Cc1cc(F)ccc1F)[C@@H]1CN(C)CCO1 ZINC000091719271 180234331 /nfs/dbraw/zinc/23/43/31/180234331.db2.gz JIMFEDLILWEPCI-CVEARBPZSA-N 1 0 298.377 2.206 10 0 CEAERO C[NH2+][C@@H](Cc1ccc(C(F)(F)F)cc1)CN(C)C ZINC000091719620 180234455 /nfs/dbraw/zinc/23/44/55/180234455.db2.gz ZOOPMDYQYUROET-LBPRGKRZSA-N 1 0 260.303 2.398 10 0 CEAERO CCC[NH2+][C@H](c1csc(C)c1)[C@@H]1CN(C)CCO1 ZINC000091719463 180234458 /nfs/dbraw/zinc/23/44/58/180234458.db2.gz QWBKGDCYEUXRGQ-UONOGXRCSA-N 1 0 268.426 2.428 10 0 CEAERO CC(C)Oc1ccc([C@H]([NH3+])[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000091720274 180235057 /nfs/dbraw/zinc/23/50/57/180235057.db2.gz HNRFPSSRJRWJNL-PVAVHDDUSA-N 1 0 290.407 2.337 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1ccc(OC(F)F)cc1 ZINC000624235574 350239654 /nfs/dbraw/zinc/23/96/54/350239654.db2.gz MOKBDUBWTBRKAT-BIMULSAOSA-N 1 0 287.306 2.088 10 0 CEAERO C[C@H]1C[C@H]([NH2+][C@@H]2CCOC[C@@H]2O)c2ccsc2S1 ZINC000624236925 350240362 /nfs/dbraw/zinc/24/03/62/350240362.db2.gz MUTBEKIUWVWQTH-IELRGYKMSA-N 1 0 285.434 2.413 10 0 CEAERO CCc1ccc(C(=O)NCc2cccc(C[NH3+])c2)o1 ZINC000091759251 180247787 /nfs/dbraw/zinc/24/77/87/180247787.db2.gz PVWXMGLVYWWFRY-UHFFFAOYSA-N 1 0 258.321 2.231 10 0 CEAERO CCc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCC[NH2+]2)o1 ZINC000091762532 180248672 /nfs/dbraw/zinc/24/86/72/180248672.db2.gz GGMAEVUZMYECLX-CHWSQXEVSA-N 1 0 262.353 2.199 10 0 CEAERO CC1(C)C[C@@H]([NH2+]C[C@@H]2CCCO[C@H]2c2cn[nH]c2)CO1 ZINC000624243675 350242981 /nfs/dbraw/zinc/24/29/81/350242981.db2.gz YTERRVFTARZQQJ-IACUBPJLSA-N 1 0 279.384 2.035 10 0 CEAERO COC(=O)c1ccc([C@@H](C)SC[C@@H](C)C[NH3+])o1 ZINC000091779573 180251417 /nfs/dbraw/zinc/25/14/17/180251417.db2.gz DSGVXBSRPSTCRL-DTWKUNHWSA-N 1 0 257.355 2.455 10 0 CEAERO COCCC[N@H+](CCOC)[C@@H](C)c1ccc(C(=O)OC)o1 ZINC000091781503 180253313 /nfs/dbraw/zinc/25/33/13/180253313.db2.gz PEOVFJHFBCGPKR-LBPRGKRZSA-N 1 0 299.367 2.112 10 0 CEAERO COC(=O)c1ccc([C@H](C)N(C)[C@@H]2CCC[N@H+](C)C2)o1 ZINC000091782209 180253596 /nfs/dbraw/zinc/25/35/96/180253596.db2.gz NLECURJNQGAOTC-NWDGAFQWSA-N 1 0 280.368 2.153 10 0 CEAERO Cc1ccc(C)n1NC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000091787691 180256448 /nfs/dbraw/zinc/25/64/48/180256448.db2.gz BNFLXXFUCWKMMX-UHFFFAOYSA-N 1 0 286.379 2.215 10 0 CEAERO Cc1ccc(C)n1NC(=O)[C@H](C)CCC[C@H](C)[NH3+] ZINC000091787730 180256673 /nfs/dbraw/zinc/25/66/73/180256673.db2.gz SZCLJNKXURDLLY-MNOVXSKESA-N 1 0 251.374 2.329 10 0 CEAERO CC[NH2+][C@H](C)c1cccn1CC(=O)N[C@H](C)CC ZINC000091801517 180259104 /nfs/dbraw/zinc/25/91/04/180259104.db2.gz BGVQRBLNVPCEMS-VXGBXAGGSA-N 1 0 251.374 2.073 10 0 CEAERO CC[NH2+][C@H](c1ccc(F)cc1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721875 180239813 /nfs/dbraw/zinc/23/98/13/180239813.db2.gz FAKKIXJBHDYSRR-BZUAXINKSA-N 1 0 278.371 2.340 10 0 CEAERO CCC[NH2+][C@H](C1CCCC1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091722275 180240596 /nfs/dbraw/zinc/24/05/96/180240596.db2.gz LPXCUNSGIGIRSK-BZUAXINKSA-N 1 0 266.429 2.408 10 0 CEAERO Cc1cc2ncc([C@H](C)[NH2+][C@@H](C)[C@@H](C)CO)c(C)n2n1 ZINC000091727246 180243014 /nfs/dbraw/zinc/24/30/14/180243014.db2.gz YFDFHLGZMVYRMO-DLOVCJGASA-N 1 0 276.384 2.014 10 0 CEAERO C[N@H+](CCOCC(F)(F)F)C1CCC(=O)CC1 ZINC000091853951 180273600 /nfs/dbraw/zinc/27/36/00/180273600.db2.gz QNCPCJFUXIJOSS-UHFFFAOYSA-N 1 0 253.264 2.009 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)c2ccc3c(c2)CCO3)CC1 ZINC000091854561 180274689 /nfs/dbraw/zinc/27/46/89/180274689.db2.gz DXWJOWLMVXMOGD-UHFFFAOYSA-N 1 0 288.391 2.224 10 0 CEAERO CCC[NH2+][C@@H](C)c1cccn1CC(=O)N(C)C1CC1 ZINC000091803137 180260046 /nfs/dbraw/zinc/26/00/46/180260046.db2.gz VRBHSWCBFMNWOK-LBPRGKRZSA-N 1 0 263.385 2.170 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccn(CC(=O)N(CC)CC)c1 ZINC000091805891 180260551 /nfs/dbraw/zinc/26/05/51/180260551.db2.gz QEXYXWDIAXMJMM-ZDUSSCGKSA-N 1 0 265.401 2.417 10 0 CEAERO CCC[NH2+][C@H](CC)c1ccn(CCC(=O)NC)c1 ZINC000091817807 180262844 /nfs/dbraw/zinc/26/28/44/180262844.db2.gz MHFRPPNMPAHRIO-CYBMUJFWSA-N 1 0 251.374 2.075 10 0 CEAERO CCC[NH2+][C@H](CC)c1ccn(CCCS(C)(=O)=O)c1 ZINC000091817621 180263413 /nfs/dbraw/zinc/26/34/13/180263413.db2.gz QXRSLRMYRIQOGY-CQSZACIVSA-N 1 0 286.441 2.374 10 0 CEAERO CCC[NH2+][C@H](CCC)c1ccn(CC(=O)NCCOC)c1 ZINC000091823745 180263861 /nfs/dbraw/zinc/26/38/61/180263861.db2.gz KSWJCXHPTPRBGP-OAHLLOKOSA-N 1 0 295.427 2.092 10 0 CEAERO CCC[NH2+][C@@H](CCC)c1ccn(CC(=O)NC)c1 ZINC000091823837 180264045 /nfs/dbraw/zinc/26/40/45/180264045.db2.gz HUGJXSGZDTYRRA-ZDUSSCGKSA-N 1 0 251.374 2.075 10 0 CEAERO CCC[NH2+][C@@H](CCC)c1ccn(CC(=O)NCCOC)c1 ZINC000091823742 180264139 /nfs/dbraw/zinc/26/41/39/180264139.db2.gz KSWJCXHPTPRBGP-HNNXBMFYSA-N 1 0 295.427 2.092 10 0 CEAERO CC[NH2+][C@@H](c1ccn(CCC(=O)NC2CC2)c1)C(C)C ZINC000091827666 180264498 /nfs/dbraw/zinc/26/44/98/180264498.db2.gz BNXANVKOFMVMAJ-MRXNPFEDSA-N 1 0 277.412 2.463 10 0 CEAERO CC(C)[C@@H]([NH3+])c1ccn(CCCC(=O)N(C)C)c1 ZINC000091826400 180264570 /nfs/dbraw/zinc/26/45/70/180264570.db2.gz XNLAKVIHTFXMCF-CQSZACIVSA-N 1 0 251.374 2.012 10 0 CEAERO CC[NH2+][C@H](c1ccn(CCCC(=O)NC)c1)C(C)C ZINC000091827607 180264898 /nfs/dbraw/zinc/26/48/98/180264898.db2.gz SLZLHGDRCWJIHI-HNNXBMFYSA-N 1 0 265.401 2.321 10 0 CEAERO C[NH2+][C@H](c1ccn(Cc2ncnn2C(C)C)c1)C1CC1 ZINC000091837353 180268046 /nfs/dbraw/zinc/26/80/46/180268046.db2.gz CSFBQPDBEJHSSD-HNNXBMFYSA-N 1 0 273.384 2.379 10 0 CEAERO CN(C(=O)c1ccc(Cl)cc1O)C1CCC([NH3+])CC1 ZINC000091845186 180270571 /nfs/dbraw/zinc/27/05/71/180270571.db2.gz UGTDWKSLERAHPP-UHFFFAOYSA-N 1 0 282.771 2.388 10 0 CEAERO CN(c1cc2ccccc2c(=O)[nH]1)C1CCC([NH3+])CC1 ZINC000091849436 180270775 /nfs/dbraw/zinc/27/07/75/180270775.db2.gz UNBXORUOQUVDBA-UHFFFAOYSA-N 1 0 271.364 2.234 10 0 CEAERO CC[N@H+](C[C@H](C(=O)[O-])c1ccccc1)C1CCC([NH3+])CC1 ZINC000091850856 180271721 /nfs/dbraw/zinc/27/17/21/180271721.db2.gz WWGANJPPPXUOEO-GPANFISMSA-N 1 0 290.407 2.447 10 0 CEAERO CCN(C(=O)c1ccncc1Cl)C1CCC([NH3+])CC1 ZINC000091850195 180271782 /nfs/dbraw/zinc/27/17/82/180271782.db2.gz OVLMGKUARYXHEG-UHFFFAOYSA-N 1 0 281.787 2.467 10 0 CEAERO CCN(C1CCC([NH3+])CC1)S(=O)(=O)c1cccs1 ZINC000091850554 180272153 /nfs/dbraw/zinc/27/21/53/180272153.db2.gz DJUNRSAPBCLSGU-UHFFFAOYSA-N 1 0 288.438 2.029 10 0 CEAERO CN(C(=O)N1CCCCC1)c1ccc(C(N)=[NH2+])cc1 ZINC000091969880 180295109 /nfs/dbraw/zinc/29/51/09/180295109.db2.gz UIUWTQMGARYZII-UHFFFAOYSA-N 1 0 260.341 2.013 10 0 CEAERO Cc1cccc2sc(CN3CCC[NH2+]CC3)nc21 ZINC000091944765 180290661 /nfs/dbraw/zinc/29/06/61/180290661.db2.gz IHFOSGPNTXCUSP-UHFFFAOYSA-N 1 0 261.394 2.400 10 0 CEAERO c1nc(C[NH2+]C2CC2)c(-c2cccc3c2OCCO3)o1 ZINC000091958712 180292198 /nfs/dbraw/zinc/29/21/98/180292198.db2.gz XKZWLLHJNGIIGV-UHFFFAOYSA-N 1 0 272.304 2.365 10 0 CEAERO O=C(N1CCCCC1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000091969473 180294433 /nfs/dbraw/zinc/29/44/33/180294433.db2.gz NSGHFPLVSVPBNR-CQSZACIVSA-N 1 0 265.401 2.056 10 0 CEAERO CCC[NH2+]C1CCC(N(C)c2nccn2C)CC1 ZINC000091870774 180277155 /nfs/dbraw/zinc/27/71/55/180277155.db2.gz IYKWXWDMMGRSCS-UHFFFAOYSA-N 1 0 250.390 2.167 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)c2ccc3c[nH]nc3c2)CC1 ZINC000091872044 180277981 /nfs/dbraw/zinc/27/79/81/180277981.db2.gz VYYBIJNJZMQLDQ-UHFFFAOYSA-N 1 0 286.379 2.166 10 0 CEAERO C[NH2+]C1CCC(NC(=O)c2snnc2C(C)(C)C)CC1 ZINC000091871654 180278011 /nfs/dbraw/zinc/27/80/11/180278011.db2.gz YZUNFFVMOHMSNE-UHFFFAOYSA-N 1 0 296.440 2.096 10 0 CEAERO CCCN(C(=O)N1CCCCCC1)[C@H]1CC[NH2+]C1 ZINC000091971163 180294921 /nfs/dbraw/zinc/29/49/21/180294921.db2.gz IEQNQZREPPQMHI-ZDUSSCGKSA-N 1 0 253.390 2.056 10 0 CEAERO COc1ccc([C@@H](O)C2(C[NH3+])Cc3ccccc3C2)cc1 ZINC000091908259 180284551 /nfs/dbraw/zinc/28/45/51/180284551.db2.gz OQAWKXBKILBLMD-QGZVFWFLSA-N 1 0 283.371 2.473 10 0 CEAERO COc1ccc([C@H](O)C2(C[NH3+])CCCC2)cc1OC ZINC000091908871 180284558 /nfs/dbraw/zinc/28/45/58/180284558.db2.gz GAQOGFNXFPXLPD-AWEZNQCLSA-N 1 0 265.353 2.256 10 0 CEAERO CC[C@@H](C[NH3+])[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000091909995 180284650 /nfs/dbraw/zinc/28/46/50/180284650.db2.gz HBSIUXZTZCMMSM-UFBFGSQYSA-N 1 0 271.744 2.130 10 0 CEAERO CC[C@](C)(C[NH3+])[C@@H](O)c1cnn(-c2ccccc2)c1 ZINC000091909366 180284717 /nfs/dbraw/zinc/28/47/17/180284717.db2.gz VYEYRIPVTAFPKU-LSDHHAIUSA-N 1 0 259.353 2.281 10 0 CEAERO [NH3+]C[C@@]1([C@@H](O)c2ccc(C(F)(F)F)cc2)CCOC1 ZINC000091910551 180285064 /nfs/dbraw/zinc/28/50/64/180285064.db2.gz MJMBLERZLNWOPI-RYUDHWBXSA-N 1 0 275.270 2.104 10 0 CEAERO CCC1CCC(C[NH3+])([C@@H](O)[C@@H]2CCCOC2)CC1 ZINC000091913624 180285069 /nfs/dbraw/zinc/28/50/69/180285069.db2.gz YITYFMWPGRMCHF-FUUBYGMNSA-N 1 0 255.402 2.319 10 0 CEAERO [NH3+]CC1([C@@H](O)c2ccc(Cl)c(F)c2)CCOCC1 ZINC000091912733 180285169 /nfs/dbraw/zinc/28/51/69/180285169.db2.gz MCRSEXRRSDTOAL-LBPRGKRZSA-N 1 0 273.735 2.268 10 0 CEAERO NC(=[NH2+])[C@H](NC(=O)N1CCCCC1)C1CCCCC1 ZINC000091969866 180295074 /nfs/dbraw/zinc/29/50/74/180295074.db2.gz UWHZTPQSVHQLML-GFCCVEGCSA-N 1 0 266.389 2.067 10 0 CEAERO CCN1CCO[C@@H](COc2cccc3c2CCC[C@@H]3[NH3+])C1 ZINC000092051372 180312804 /nfs/dbraw/zinc/31/28/04/180312804.db2.gz LKJBEJNMELIROD-CJNGLKHVSA-N 1 0 290.407 2.122 10 0 CEAERO CCN1CCO[C@H](C[NH2+]CC2CCC(C)CC2)C1 ZINC000092052763 180313121 /nfs/dbraw/zinc/31/31/21/180313121.db2.gz CYHZZSCZQCBZGT-YMAMQOFZSA-N 1 0 254.418 2.123 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]CC[C@@H](C)c2ccccc2)C1 ZINC000092052711 180313522 /nfs/dbraw/zinc/31/35/22/180313522.db2.gz OBHZEBSBWZQWDU-WBVHZDCISA-N 1 0 276.424 2.491 10 0 CEAERO CC1CCC(NC(=O)N2CCCCC2)(C(N)=[NH2+])CC1 ZINC000091969867 180295232 /nfs/dbraw/zinc/29/52/32/180295232.db2.gz SHQAMNZOHRVZSY-UHFFFAOYSA-N 1 0 266.389 2.067 10 0 CEAERO C[C@H](NC(=O)N1CCCCCC1)[C@H]1CCCC[NH2+]1 ZINC000091971198 180295249 /nfs/dbraw/zinc/29/52/49/180295249.db2.gz XTVDLLAHHWVMNX-QWHCGFSZSA-N 1 0 253.390 2.103 10 0 CEAERO CC[NH2+][C@@H](C)c1ccccc1NC(=O)N1CCOCC1 ZINC000091970158 180295261 /nfs/dbraw/zinc/29/52/61/180295261.db2.gz GZKPMEPCKDGSBW-LBPRGKRZSA-N 1 0 277.368 2.221 10 0 CEAERO C[C@H]1CCCN(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000091990553 180300078 /nfs/dbraw/zinc/30/00/78/180300078.db2.gz WNBMUOOZWQZHAH-QWHCGFSZSA-N 1 0 265.401 2.103 10 0 CEAERO C[C@@H]1CCCN(C(=O)NC2(C(N)=[NH2+])CCCCC2)C1 ZINC000091993266 180300456 /nfs/dbraw/zinc/30/04/56/180300456.db2.gz AXGSPNIRHDHMGV-LLVKDONJSA-N 1 0 266.389 2.067 10 0 CEAERO C[C@@H]1CCCN(C(=O)N(C)Cc2cccc(C(N)=[NH2+])c2)C1 ZINC000091993240 180300580 /nfs/dbraw/zinc/30/05/80/180300580.db2.gz HYRWKLKMJZMPMB-GFCCVEGCSA-N 1 0 288.395 2.254 10 0 CEAERO CCOc1ccc(NC(=O)N(C)CC)cc1C[NH3+] ZINC000091993181 180300581 /nfs/dbraw/zinc/30/05/81/180300581.db2.gz LSWWRNFVWOKDRG-UHFFFAOYSA-N 1 0 251.330 2.028 10 0 CEAERO C[C@H]1CCCN(C(=O)Nc2cccc(OCC(N)=[NH2+])c2)C1 ZINC000091993387 180300622 /nfs/dbraw/zinc/30/06/22/180300622.db2.gz WPCJYITXTFLMTG-NSHDSACASA-N 1 0 290.367 2.265 10 0 CEAERO CC[NH2+]Cc1nc(C)ccc1OCCOC(C)C ZINC000091994967 180300979 /nfs/dbraw/zinc/30/09/79/180300979.db2.gz AVJBUNOZIDXYRL-UHFFFAOYSA-N 1 0 252.358 2.303 10 0 CEAERO C[NH2+]Cc1nc(C)ccc1O[C@@H]1CCCCC[C@@H]1O ZINC000091994223 180301107 /nfs/dbraw/zinc/30/11/07/180301107.db2.gz ZCKQYTDRADAUGR-DZGCQCFKSA-N 1 0 264.369 2.182 10 0 CEAERO C[NH2+]Cc1nc(C)ccc1O[C@H]1CCC[C@H](OC)C1 ZINC000091994352 180301577 /nfs/dbraw/zinc/30/15/77/180301577.db2.gz RSJUEKHUHGDOPJ-STQMWFEESA-N 1 0 264.369 2.446 10 0 CEAERO CC[NH2+]Cc1nc(C)ccc1O[C@H](C)C(=O)NC(C)(C)C ZINC000091994964 180301598 /nfs/dbraw/zinc/30/15/98/180301598.db2.gz RVOUOOGPOUJFQH-GFCCVEGCSA-N 1 0 293.411 2.182 10 0 CEAERO Cc1ccc(OC[C@@H]2Cc3ccccc3O2)c(CC[NH3+])n1 ZINC000091999781 180303471 /nfs/dbraw/zinc/30/34/71/180303471.db2.gz NJENGTUUFNDXTE-AWEZNQCLSA-N 1 0 284.359 2.274 10 0 CEAERO Cc1ccc(OCCOC(C)C)c(C[C@@H](C)[NH3+])n1 ZINC000091999942 180303657 /nfs/dbraw/zinc/30/36/57/180303657.db2.gz QMNCNIMRQNGJJY-LLVKDONJSA-N 1 0 252.358 2.084 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000092133528 180331206 /nfs/dbraw/zinc/33/12/06/180331206.db2.gz PRHDFSKFFNAGII-DOMZBBRYSA-N 1 0 272.348 2.341 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)N[C@@H](C)c1ccc(SC)cc1 ZINC000092133296 180331251 /nfs/dbraw/zinc/33/12/51/180331251.db2.gz UUCKISMELNTVFA-MNOVXSKESA-N 1 0 266.410 2.441 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)Nc1cc(Cl)ccc1-n1cccn1 ZINC000092133945 180331439 /nfs/dbraw/zinc/33/14/39/180331439.db2.gz KQYRPROFDHLPDT-JTQLQIEISA-N 1 0 292.770 2.320 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000092136392 180333219 /nfs/dbraw/zinc/33/32/19/180333219.db2.gz HUBXMLQMABIXHU-QMMMGPOBSA-N 1 0 255.387 2.235 10 0 CEAERO CC(C)(C)n1c2ccc(C[NH3+])cc2nc1CCCO ZINC000092150886 180334834 /nfs/dbraw/zinc/33/48/34/180334834.db2.gz LPWSDMZDMJKCHB-UHFFFAOYSA-N 1 0 261.369 2.175 10 0 CEAERO Cc1cc(N)ccc1NC(=O)C[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000092080679 180318295 /nfs/dbraw/zinc/31/82/95/180318295.db2.gz ZNRAWKCGIUCDKB-VXGBXAGGSA-N 1 0 261.369 2.104 10 0 CEAERO COc1ccc(N)cc1NC(=O)[C@H](C)[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000092080533 180318758 /nfs/dbraw/zinc/31/87/58/180318758.db2.gz KQHBQYAOQOEZMM-SRVKXCTJSA-N 1 0 291.395 2.192 10 0 CEAERO Cc1ccc(N)cc1NC(=O)[C@@H](C)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000092080565 180318981 /nfs/dbraw/zinc/31/89/81/180318981.db2.gz SHGXKJOFYDVFHA-FRRDWIJNSA-N 1 0 275.396 2.492 10 0 CEAERO COc1cccc([C@H](C[NH3+])N2C[C@H](C)[C@@H](C)C2)c1OC ZINC000092082802 180319332 /nfs/dbraw/zinc/31/93/32/180319332.db2.gz OQNJSUNWGCTGTQ-OBJOEFQTSA-N 1 0 278.396 2.291 10 0 CEAERO Cc1cccc(N)c1NC(=O)C[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000092081515 180319734 /nfs/dbraw/zinc/31/97/34/180319734.db2.gz FIZJDGYVLJQXFV-RYUDHWBXSA-N 1 0 261.369 2.104 10 0 CEAERO COCc1ccccc1[C@H](CN)[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000092083372 180320077 /nfs/dbraw/zinc/32/00/77/180320077.db2.gz HUGKHYQIDVNCHJ-XEZPLFJOSA-N 1 0 262.397 2.421 10 0 CEAERO COCc1ccccc1[C@H](CN)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000092083371 180320559 /nfs/dbraw/zinc/32/05/59/180320559.db2.gz HUGKHYQIDVNCHJ-ZENOOKHLSA-N 1 0 262.397 2.421 10 0 CEAERO COc1ccc(OC)c([C@@H](N)C[N@@H+]2C[C@H](C)[C@H](C)C2)c1 ZINC000092085139 180320843 /nfs/dbraw/zinc/32/08/43/180320843.db2.gz AJTWHMOXCKWQMW-ZOWXZIJZSA-N 1 0 278.396 2.291 10 0 CEAERO CCN[C@@](C)(CCCC[N@@H+]1C[C@H](C)[C@H](C)C1)C(=O)OC ZINC000092087739 180321806 /nfs/dbraw/zinc/32/18/06/180321806.db2.gz AXEDIBTZMLBRHA-LZWOXQAQSA-N 1 0 284.444 2.286 10 0 CEAERO C[NH2+][C@H](CN1C(=O)[C@H](C)[C@H](C)C1=O)c1cc(C)ccc1C ZINC000092094040 180323114 /nfs/dbraw/zinc/32/31/14/180323114.db2.gz FJUIFDZZUNRXEJ-VNHYZAJKSA-N 1 0 288.391 2.205 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)C1 ZINC000092201885 180342881 /nfs/dbraw/zinc/34/28/81/180342881.db2.gz UNLUHXOEFWJLSO-SJORKVTESA-N 1 0 284.403 2.371 10 0 CEAERO CC(C)Oc1ccccc1NC(=O)[C@H]1C=C[C@H]([NH3+])C1 ZINC000092202284 180343043 /nfs/dbraw/zinc/34/30/43/180343043.db2.gz AZHFZXLDJJKSCF-RYUDHWBXSA-N 1 0 260.337 2.316 10 0 CEAERO CN(C)c1ccc(NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)cc1Cl ZINC000092204256 180343591 /nfs/dbraw/zinc/34/35/91/180343591.db2.gz NECWFJCCVXMTHJ-NXEZZACHSA-N 1 0 279.771 2.248 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)Nc2ccc(-c3cnco3)cc2)C1 ZINC000092204146 180343654 /nfs/dbraw/zinc/34/36/54/180343654.db2.gz BKCADQXTPCXODH-NEPJUHHUSA-N 1 0 269.304 2.184 10 0 CEAERO CC(C)[C@H]1C[NH2+]CCN1C[C@@H]1COc2ccccc21 ZINC000092307256 180360119 /nfs/dbraw/zinc/36/01/19/180360119.db2.gz CHOYRDMJXYJDPM-UKRRQHHQSA-N 1 0 260.381 2.092 10 0 CEAERO Cc1ccc(CN(C(=O)[C@H]2C=C[C@@H]([NH3+])C2)C(C)C)o1 ZINC000092205295 180344103 /nfs/dbraw/zinc/34/41/03/180344103.db2.gz GLSIGIURJYJBQL-QWHCGFSZSA-N 1 0 262.353 2.228 10 0 CEAERO Cc1ccc([C@H](C)N(C)C(=O)[C@H]2C=C[C@@H]([NH3+])C2)s1 ZINC000092205499 180344244 /nfs/dbraw/zinc/34/42/44/180344244.db2.gz VNVZUDAUGOPINW-SDDRHHMPSA-N 1 0 264.394 2.479 10 0 CEAERO CSc1ccccc1C(=O)N(C)[C@H]1CCC[NH2+]C1 ZINC000092232126 180348707 /nfs/dbraw/zinc/34/87/07/180348707.db2.gz WWHCXGPXNVPKQE-NSHDSACASA-N 1 0 264.394 2.233 10 0 CEAERO [NH3+]CCc1nnc([C@@H]2Cc3ccccc3S2)s1 ZINC000092236178 180349350 /nfs/dbraw/zinc/34/93/50/180349350.db2.gz NTIOYPKIFQLWAS-JTQLQIEISA-N 1 0 263.391 2.429 10 0 CEAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)c1ccc(SC)cc1 ZINC000092232579 180349410 /nfs/dbraw/zinc/34/94/10/180349410.db2.gz VBSKCRPLHGKKMO-BPLDGKMQSA-N 1 0 290.432 2.479 10 0 CEAERO CN(C(=O)[C@@H]1CSc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000092239448 180351043 /nfs/dbraw/zinc/35/10/43/180351043.db2.gz NWBZKUIHMZZDPR-DGCLKSJQSA-N 1 0 276.405 2.086 10 0 CEAERO CC[C@](C)(O)C[NH2+]C[C@H]1Cc2ccccc2S1 ZINC000092244729 180352311 /nfs/dbraw/zinc/35/23/11/180352311.db2.gz HTUWNMNHVBUZRT-OCCSQVGLSA-N 1 0 251.395 2.454 10 0 CEAERO C[C@@H](CCO)C[NH2+]C[C@H]1Cc2ccccc2S1 ZINC000092260380 180354025 /nfs/dbraw/zinc/35/40/25/180354025.db2.gz QQOJPLWKOUFCEJ-WCQYABFASA-N 1 0 251.395 2.312 10 0 CEAERO C[C@]1([NH2+]C[C@H]2CSc3ccccc32)CCS(=O)(=O)C1 ZINC000092275308 180356208 /nfs/dbraw/zinc/35/62/08/180356208.db2.gz JFHVUADXTJAJIU-FZMZJTMJSA-N 1 0 297.445 2.043 10 0 CEAERO COCCN(CCC(N)=[NH2+])C[C@@H]1CSc2ccccc21 ZINC000092288244 180357734 /nfs/dbraw/zinc/35/77/34/180357734.db2.gz AGGMAGHZALHPBE-GFCCVEGCSA-N 1 0 293.436 2.150 10 0 CEAERO CC[NH2+]C[C@@H]1CCCN1C[C@@H]1COc2ccccc21 ZINC000092302619 180359534 /nfs/dbraw/zinc/35/95/34/180359534.db2.gz BKQHPIDFUBFXQG-KGLIPLIRSA-N 1 0 260.381 2.237 10 0 CEAERO COc1ccc(OCC[NH2+]CCc2ccncc2)cc1 ZINC000105877556 186082440 /nfs/dbraw/zinc/08/24/40/186082440.db2.gz NZYMSUYHCIVYGB-UHFFFAOYSA-N 1 0 272.348 2.301 10 0 CEAERO c1ncn(C[C@H]2CCC[N@@H+](CCOc3ccccc3)C2)n1 ZINC000105882805 186082711 /nfs/dbraw/zinc/08/27/11/186082711.db2.gz NYKGDWQSKOHRMB-HNNXBMFYSA-N 1 0 286.379 2.069 10 0 CEAERO CCCC[N@@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000105885613 186083620 /nfs/dbraw/zinc/08/36/20/186083620.db2.gz YEPBKZLTZFLSAZ-AWEZNQCLSA-N 1 0 250.390 2.407 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](c2nc([C@@H]3COc4ccccc4C3)no2)C1 ZINC000092182134 180338865 /nfs/dbraw/zinc/33/88/65/180338865.db2.gz LDUGJSZINXAZQT-FRRDWIJNSA-N 1 0 283.331 2.159 10 0 CEAERO COCC[NH2+]Cc1cccn1C[C@@H]1COc2ccccc21 ZINC000092304843 180359954 /nfs/dbraw/zinc/35/99/54/180359954.db2.gz JNGBOYWDISAUOF-CQSZACIVSA-N 1 0 286.375 2.400 10 0 CEAERO CCc1nc(C[C@@H]2CCCO2)nc(CC)c1CC[NH2+]C ZINC000092318391 180361633 /nfs/dbraw/zinc/36/16/33/180361633.db2.gz JLWBVJMFRJUXTN-LBPRGKRZSA-N 1 0 277.412 2.085 10 0 CEAERO CCO[C@H](C)c1nc(CC)c(CC[NH2+]C)c(CC)n1 ZINC000092318395 180361902 /nfs/dbraw/zinc/36/19/02/180361902.db2.gz XVANMYIURONZQS-LLVKDONJSA-N 1 0 265.401 2.461 10 0 CEAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](C/C=C/Cl)C2)n1 ZINC000105920007 186091255 /nfs/dbraw/zinc/09/12/55/186091255.db2.gz OQMGDCPFPSUVBV-BPJJOFIESA-N 1 0 268.792 2.359 10 0 CEAERO CCc1nc(N2CCCC2)nc(CC)c1CC[NH2+]C1CC1 ZINC000092318908 180362010 /nfs/dbraw/zinc/36/20/10/180362010.db2.gz WOLLRNMOSVZWLD-UHFFFAOYSA-N 1 0 288.439 2.496 10 0 CEAERO Cc1nn(-c2ncccn2)c(C)c1C[C@H](C)C[NH2+]C1CC1 ZINC000092321526 180362278 /nfs/dbraw/zinc/36/22/78/180362278.db2.gz XZWNBGOMZOMSMS-NSHDSACASA-N 1 0 285.395 2.210 10 0 CEAERO CC[NH2+]C[C@H](C)c1c(C)nn(-c2cc(C)ncn2)c1C ZINC000092322799 180362468 /nfs/dbraw/zinc/36/24/68/180362468.db2.gz RIMGRHRGVAUSRK-JTQLQIEISA-N 1 0 273.384 2.301 10 0 CEAERO CSc1ccc(CN2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000105926784 186092843 /nfs/dbraw/zinc/09/28/43/186092843.db2.gz HLUDOWVSHIZESA-CQSZACIVSA-N 1 0 280.437 2.171 10 0 CEAERO CN(Cc1ccncc1)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106428670 186116603 /nfs/dbraw/zinc/11/66/03/186116603.db2.gz BMGHQCNKLVNCGH-KRWDZBQOSA-N 1 0 297.402 2.213 10 0 CEAERO COc1ccc(OCC[NH2+]CCc2ccco2)cc1 ZINC000105966409 186094787 /nfs/dbraw/zinc/09/47/87/186094787.db2.gz FZRFQOGBDYJYSP-UHFFFAOYSA-N 1 0 261.321 2.499 10 0 CEAERO Cc1noc(C)c1CNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000092330291 180363898 /nfs/dbraw/zinc/36/38/98/180363898.db2.gz DJNPDFWVRARJGR-SNPRPXQTSA-N 1 0 291.395 2.218 10 0 CEAERO Cc1noc(C)c1CN1CC[C@H](C[NH2+]CC(C)C)C1 ZINC000092339889 180365194 /nfs/dbraw/zinc/36/51/94/180365194.db2.gz UJEYZSKLAMXNOD-CQSZACIVSA-N 1 0 265.401 2.359 10 0 CEAERO CCC[C@@H]1CN([C@@H](C)c2c(C)noc2C)CC[NH2+]1 ZINC000092342255 180365762 /nfs/dbraw/zinc/36/57/62/180365762.db2.gz DHOPIIZFRBBCNV-WCQYABFASA-N 1 0 251.374 2.426 10 0 CEAERO O=C1C[C@H]([NH2+]C[C@H]2CC=CCC2)C(=O)N1C1CCCC1 ZINC000106257894 186105701 /nfs/dbraw/zinc/10/57/01/186105701.db2.gz YQQSYFYWICHIQG-JSGCOSHPSA-N 1 0 276.380 2.002 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C(C)C)CN1Cc1c(C)noc1C ZINC000092342732 180366574 /nfs/dbraw/zinc/36/65/74/180366574.db2.gz UFIQDDCURPIYSM-HIFRSBDPSA-N 1 0 265.401 2.500 10 0 CEAERO Cc1cc(Cn2ccnc2CC[NH3+])c2ccccc2n1 ZINC000092364724 180368166 /nfs/dbraw/zinc/36/81/66/180368166.db2.gz NNZRZYOMCXBSOT-UHFFFAOYSA-N 1 0 266.348 2.289 10 0 CEAERO CCn1c(C[NH3+])nnc1SCc1cccc(Cl)n1 ZINC000092366473 180369157 /nfs/dbraw/zinc/36/91/57/180369157.db2.gz WNAJUBRPSSPSGW-UHFFFAOYSA-N 1 0 283.788 2.097 10 0 CEAERO C[C@H]1CC[C@@H](C[NH3+])CN1Cc1cccc(Cl)n1 ZINC000092366831 180369186 /nfs/dbraw/zinc/36/91/86/180369186.db2.gz DXIYLLFUQMTMOP-QWRGUYRKSA-N 1 0 253.777 2.294 10 0 CEAERO CCCNc1cccc(C[N@H+](C)CCCOC)n1 ZINC000092370466 180369860 /nfs/dbraw/zinc/36/98/60/180369860.db2.gz ISBSFWMLOIXRFI-UHFFFAOYSA-N 1 0 251.374 2.372 10 0 CEAERO Cc1ccccc1CN(C)Cc1cccc(NN)[nH+]1 ZINC000092369626 180370110 /nfs/dbraw/zinc/37/01/10/180370110.db2.gz OPHCHAXSIVHQPR-UHFFFAOYSA-N 1 0 256.353 2.308 10 0 CEAERO CCCNc1cccc(CN2CC[N@H+](C)C(C)(C)C2)n1 ZINC000092370824 180370220 /nfs/dbraw/zinc/37/02/20/180370220.db2.gz RNLLIWXUZXZSHB-UHFFFAOYSA-N 1 0 276.428 2.430 10 0 CEAERO CCCNc1cccc(CN2CC[C@@H]([NH+](C)C)C2)n1 ZINC000092370567 180370323 /nfs/dbraw/zinc/37/03/23/180370323.db2.gz VJMFKOVUANBALV-CQSZACIVSA-N 1 0 262.401 2.039 10 0 CEAERO CCc1ccc([C@@H](C)[NH2+]C[C@H]2CN(C)CCO2)cc1 ZINC000106388067 186112650 /nfs/dbraw/zinc/11/26/50/186112650.db2.gz BIZJMJQBNUGBDX-CJNGLKHVSA-N 1 0 262.397 2.230 10 0 CEAERO CC1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000106425356 186116101 /nfs/dbraw/zinc/11/61/01/186116101.db2.gz AAICNTOGTCDBGO-MRXNPFEDSA-N 1 0 274.408 2.418 10 0 CEAERO CC(C)CCNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106424770 186116233 /nfs/dbraw/zinc/11/62/33/186116233.db2.gz PEVIYJCLTNJCPM-HNNXBMFYSA-N 1 0 262.397 2.322 10 0 CEAERO C[C@@H]1CCCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000106424471 186116336 /nfs/dbraw/zinc/11/63/36/186116336.db2.gz DKUQHOMCEXNWNM-ZBFHGGJFSA-N 1 0 274.408 2.418 10 0 CEAERO COc1ccc2c(c1)[C@H](O)[C@@H]([NH+]1CCC(OC)CC1)CC2 ZINC000092387769 180374643 /nfs/dbraw/zinc/37/46/43/180374643.db2.gz FXJFKLDZRXRNNN-IRXDYDNUSA-N 1 0 291.391 2.154 10 0 CEAERO CCC[NH2+][C@@H]1c2cc(OC)ccc2CC[C@H]1[S@](C)=O ZINC000092388999 180375221 /nfs/dbraw/zinc/37/52/21/180375221.db2.gz HUAQMFOKKIAREQ-SPYBWZPUSA-N 1 0 281.421 2.429 10 0 CEAERO CC[NH2+][C@H]1c2cc(OC)ccc2CC[C@@H]1SCCO ZINC000092389475 180375411 /nfs/dbraw/zinc/37/54/11/180375411.db2.gz DGOUTAWUAXSPAC-GJZGRUSLSA-N 1 0 281.421 2.386 10 0 CEAERO CC(C)c1ccc([C@H](O)C[NH2+][C@@H](CO)C(C)C)cc1 ZINC000092400389 180377538 /nfs/dbraw/zinc/37/75/38/180377538.db2.gz WTVUQHWFASVNCZ-JKSUJKDBSA-N 1 0 265.397 2.450 10 0 CEAERO CCn1c(C[NH3+])nnc1SCc1cc(Cl)ccn1 ZINC000092416663 180380845 /nfs/dbraw/zinc/38/08/45/180380845.db2.gz CFBGHVUSOAHDBV-UHFFFAOYSA-N 1 0 283.788 2.097 10 0 CEAERO CCCNc1cc[nH+]c(CN(C)[C@@H](C)COC)c1 ZINC000092418392 180381330 /nfs/dbraw/zinc/38/13/30/180381330.db2.gz FJSYCBHSGIHNTD-LBPRGKRZSA-N 1 0 251.374 2.370 10 0 CEAERO C[C@H]([NH3+])[C@@H]1CCCN(Cc2cc(Cl)ccn2)C1 ZINC000092417252 180381471 /nfs/dbraw/zinc/38/14/71/180381471.db2.gz ZAWDPYYPCKWSHD-WDEREUQCSA-N 1 0 253.777 2.294 10 0 CEAERO CNc1cc[nH+]c(CN2CCc3ccccc3C2=O)c1 ZINC000092419866 180382080 /nfs/dbraw/zinc/38/20/80/180382080.db2.gz APEFLFJNFVGIQV-UHFFFAOYSA-N 1 0 267.332 2.322 10 0 CEAERO CCCNc1cc[nH+]c(Cn2c(C)cc(C)nc2=O)c1 ZINC000092419510 180382561 /nfs/dbraw/zinc/38/25/61/180382561.db2.gz JTLRIALNCIIJQG-UHFFFAOYSA-N 1 0 272.352 2.125 10 0 CEAERO C[NH2+][C@H]1c2cc(OC)ccc2CC[C@@H]1N1CCCC1 ZINC000092385063 180373764 /nfs/dbraw/zinc/37/37/64/180373764.db2.gz NOAZJYQHAPPLLW-HOTGVXAUSA-N 1 0 260.381 2.366 10 0 CEAERO COCCCO[C@H]1CCc2ccc(OC)cc2[C@@H]1[NH3+] ZINC000092386733 180373822 /nfs/dbraw/zinc/37/38/22/180373822.db2.gz PEUYKWHWYZHIQX-GJZGRUSLSA-N 1 0 265.353 2.063 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH2+]CC1CC(O)C1)CCC2 ZINC000092384432 180373985 /nfs/dbraw/zinc/37/39/85/180373985.db2.gz IRYPJIWLJNYWPG-IJGSQOGDSA-N 1 0 261.365 2.433 10 0 CEAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@@H](OCCOC(C)C)CC2 ZINC000092386487 180374163 /nfs/dbraw/zinc/37/41/63/180374163.db2.gz DAQSLHUCQYFEGE-JKSUJKDBSA-N 1 0 279.380 2.451 10 0 CEAERO C[NH2+]CCC(=O)Nc1ccc(OC(C)C)c(F)c1 ZINC000107295964 186167927 /nfs/dbraw/zinc/16/79/27/186167927.db2.gz QYMPCIWTUMJBEP-UHFFFAOYSA-N 1 0 254.305 2.161 10 0 CEAERO C[C@H](Cn1ccnc1)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000130497968 365961357 /nfs/dbraw/zinc/96/13/57/365961357.db2.gz CKZGSJLSPDOCLG-QWHCGFSZSA-N 1 0 259.353 2.198 10 0 CEAERO COc1ccccc1-c1cn2c(n1)[C@@H](C)C[C@H]([NH3+])C2 ZINC000107827751 186193953 /nfs/dbraw/zinc/19/39/53/186193953.db2.gz YNDDSXBFTFDTIQ-QWRGUYRKSA-N 1 0 257.337 2.393 10 0 CEAERO O=C(CC[N@H+]1[C@@H]2CC[C@H]1CC(O)C2)c1ccc(F)cc1 ZINC000107922370 186197264 /nfs/dbraw/zinc/19/72/64/186197264.db2.gz TVJXNJNWTXIXML-YIONKMFJSA-N 1 0 277.339 2.386 10 0 CEAERO CCCC[C@H](C[NH3+])Nc1cc(OC(C)C)ncn1 ZINC000130543387 365966089 /nfs/dbraw/zinc/96/60/89/365966089.db2.gz XZPALBNFWOOQIX-LLVKDONJSA-N 1 0 252.362 2.193 10 0 CEAERO COCC[NH2+]CCN(Cc1ccccc1)C(C)C ZINC000092510782 180399192 /nfs/dbraw/zinc/39/91/92/180399192.db2.gz IRISSYIJMVIHDV-UHFFFAOYSA-N 1 0 250.386 2.133 10 0 CEAERO [NH3+]CCCNc1ccnc2cc(Br)cnc21 ZINC000130599827 365972921 /nfs/dbraw/zinc/97/29/21/365972921.db2.gz AKHIRECGEKMWAA-UHFFFAOYSA-N 1 0 281.157 2.153 10 0 CEAERO CC[NH2+][C@H]1CCC[C@@H]1c1nc(-c2ccncc2)no1 ZINC000109498341 186257013 /nfs/dbraw/zinc/25/70/13/186257013.db2.gz KQLJRTPDAMFGBD-RYUDHWBXSA-N 1 0 258.325 2.377 10 0 CEAERO CC[NH2+][C@H]1CCCC[C@H]1c1nc(-c2ncccn2)no1 ZINC000109505491 186257213 /nfs/dbraw/zinc/25/72/13/186257213.db2.gz WKUMDIPRBDAABG-MNOVXSKESA-N 1 0 273.340 2.162 10 0 CEAERO C[NH2+][C@@H]1CCCCC[C@@H]1c1nc(-c2cnccn2)no1 ZINC000109507024 186257310 /nfs/dbraw/zinc/25/73/10/186257310.db2.gz ZPTPONJGEFLABK-WDEREUQCSA-N 1 0 273.340 2.162 10 0 CEAERO COc1ccc(-c2noc(C[C@@H]([NH3+])C(C)C)n2)cc1 ZINC000109503011 186257357 /nfs/dbraw/zinc/25/73/57/186257357.db2.gz JBPXSVHFZDRQQY-GFCCVEGCSA-N 1 0 261.325 2.271 10 0 CEAERO COc1cccc(-c2noc([C@H]3CCC[C@H]3[NH3+])n2)c1 ZINC000109503924 186257358 /nfs/dbraw/zinc/25/73/58/186257358.db2.gz MUXVDHBKRABIFA-NWDGAFQWSA-N 1 0 259.309 2.340 10 0 CEAERO CCC[NH2+][C@@H]1CCC[C@@H]1c1nc(-c2cnccn2)no1 ZINC000109507076 186257680 /nfs/dbraw/zinc/25/76/80/186257680.db2.gz SJWTWMOVEVXAIC-WDEREUQCSA-N 1 0 273.340 2.162 10 0 CEAERO COc1ccccc1-c1noc([C@@H]2CCC[C@@H]2[NH3+])n1 ZINC000109503608 186257757 /nfs/dbraw/zinc/25/77/57/186257757.db2.gz XNLDVSHWYSHWCO-KOLCDFICSA-N 1 0 259.309 2.340 10 0 CEAERO CCC[NH2+][C@H]1CCC[C@H]1c1nc(-c2cnccn2)no1 ZINC000109507083 186257872 /nfs/dbraw/zinc/25/78/72/186257872.db2.gz SJWTWMOVEVXAIC-MNOVXSKESA-N 1 0 273.340 2.162 10 0 CEAERO Cc1csc(Cc2noc([C@@H]3CCC[C@@H]3[NH3+])n2)n1 ZINC000109510904 186258187 /nfs/dbraw/zinc/25/81/87/186258187.db2.gz WYRLKOCELVUJRP-BDAKNGLRSA-N 1 0 264.354 2.020 10 0 CEAERO C[NH2+][C@H](C)[C@H](c1nc(Cc2cccnc2)no1)C(C)C ZINC000109510843 186258479 /nfs/dbraw/zinc/25/84/79/186258479.db2.gz ZCJCEWDGXBNZIN-BXUZGUMPSA-N 1 0 274.368 2.403 10 0 CEAERO C[NH2+][C@@H](C)CCc1nc(COc2ccccc2)no1 ZINC000109509479 186258573 /nfs/dbraw/zinc/25/85/73/186258573.db2.gz WVSQJYKDENNHGK-NSHDSACASA-N 1 0 261.325 2.189 10 0 CEAERO CC(C)[C@H]([NH3+])Cc1nc(Cc2ccccc2F)no1 ZINC000109516542 186258812 /nfs/dbraw/zinc/25/88/12/186258812.db2.gz ZAGWPHYTIGPBAH-GFCCVEGCSA-N 1 0 263.316 2.325 10 0 CEAERO C[NH2+][C@@H](Cc1nc(Cc2ccccc2F)no1)C1CC1 ZINC000109516784 186259070 /nfs/dbraw/zinc/25/90/70/186259070.db2.gz PCXNOGRMTRLJQF-ZDUSSCGKSA-N 1 0 275.327 2.340 10 0 CEAERO CCCOCc1noc([C@H]2CCCC[C@H]2[NH2+]C)n1 ZINC000109519788 186259325 /nfs/dbraw/zinc/25/93/25/186259325.db2.gz MPBPTNXKTAJORC-WDEREUQCSA-N 1 0 253.346 2.242 10 0 CEAERO NNc1[nH+]c(Cc2cccnc2)nc2c1CCCCC2 ZINC000109522311 186259335 /nfs/dbraw/zinc/25/93/35/186259335.db2.gz LNUPMVSRWBLOFR-UHFFFAOYSA-N 1 0 269.352 2.017 10 0 CEAERO CNC(=O)c1ccc(N)c(NCCCC[N@H+](C)C(C)C)c1 ZINC000109533133 186260403 /nfs/dbraw/zinc/26/04/03/186260403.db2.gz WUHAMWFSTKYYJF-UHFFFAOYSA-N 1 0 292.427 2.161 10 0 CEAERO O=C(C[NH2+][C@H]1CCCOC1)Nc1cccc(Cl)c1 ZINC000109546834 186262057 /nfs/dbraw/zinc/26/20/57/186262057.db2.gz LXCBIGRKFPXLOE-LBPRGKRZSA-N 1 0 268.744 2.047 10 0 CEAERO CCC[NH2+][C@@H]1C(=O)Nc2cc(OC[C@@H]3CCOC3)ccc21 ZINC000109576574 186263431 /nfs/dbraw/zinc/26/34/31/186263431.db2.gz OVXAPFODWHAEMA-ABAIWWIYSA-N 1 0 290.363 2.095 10 0 CEAERO C[C@H]([NH3+])c1cc(F)ccc1N(C)C[C@H]1CCCO1 ZINC000109568674 186263678 /nfs/dbraw/zinc/26/36/78/186263678.db2.gz WKFHKDYORHRXBB-CMPLNLGQSA-N 1 0 252.333 2.461 10 0 CEAERO CN(Cc1nccn1C)c1cc(CO)[nH+]c2ccccc21 ZINC000109594762 186264803 /nfs/dbraw/zinc/26/48/03/186264803.db2.gz ZYJVKYMERCJXIM-UHFFFAOYSA-N 1 0 282.347 2.097 10 0 CEAERO CCOC(=O)CN(Cc1cc(C[NH3+])ccc1F)C(C)C ZINC000109604293 186268140 /nfs/dbraw/zinc/26/81/40/186268140.db2.gz VHJICKXZPWPWAQ-UHFFFAOYSA-N 1 0 282.359 2.058 10 0 CEAERO C[C@H]1CCCC[C@@H]1NC(=S)N1CCC[C@@H]1C[NH+](C)C ZINC000109670916 186268889 /nfs/dbraw/zinc/26/88/89/186268889.db2.gz XKULJINOMANIGW-MJBXVCDLSA-N 1 0 283.485 2.466 10 0 CEAERO CN(Cc1ccc(F)cc1)C(=O)C[NH2+]C(C)(C)C ZINC000109215874 186246099 /nfs/dbraw/zinc/24/60/99/186246099.db2.gz WHGNWVZXKFDBGE-UHFFFAOYSA-N 1 0 252.333 2.172 10 0 CEAERO Cc1nn(C)c(N(CCC(C)C)C2CC2)c1C[NH3+] ZINC000109278258 186247280 /nfs/dbraw/zinc/24/72/80/186247280.db2.gz IFMCJGQGTSKVAF-UHFFFAOYSA-N 1 0 250.390 2.202 10 0 CEAERO CCc1nccn1[C@H]1CCCN(C(=O)c2cc[nH]c2)C1 ZINC000109284839 186247397 /nfs/dbraw/zinc/24/73/97/186247397.db2.gz JOAXSZMMEYDWGC-ZDUSSCGKSA-N 1 0 272.352 2.251 10 0 CEAERO Cn1cnnc1CC[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000109421007 186251334 /nfs/dbraw/zinc/25/13/34/186251334.db2.gz DCQNPJGWKITXKR-UHFFFAOYSA-N 1 0 284.285 2.166 10 0 CEAERO Cn1cnnc1CC[NH2+][C@H](c1cccs1)C1CC1 ZINC000109422918 186251478 /nfs/dbraw/zinc/25/14/78/186251478.db2.gz UQURRGLIUDDVIP-ZDUSSCGKSA-N 1 0 262.382 2.160 10 0 CEAERO CC[C@@H](c1noc(CC(C)(C)C)n1)N1CC[NH2+]CC1 ZINC000109474461 186254672 /nfs/dbraw/zinc/25/46/72/186254672.db2.gz UGVOUMACBHMBAQ-NSHDSACASA-N 1 0 266.389 2.015 10 0 CEAERO C[C@@H](c1nccc(C2CCCCC2)n1)N1CC[NH2+]CC1 ZINC000109475606 186255027 /nfs/dbraw/zinc/25/50/27/186255027.db2.gz FDDPSFHXUXWCOQ-ZDUSSCGKSA-N 1 0 274.412 2.491 10 0 CEAERO Cc1ccc(CN2CC[NH+](C(C)(C)C(N)=S)CC2)cc1 ZINC000109471013 186255215 /nfs/dbraw/zinc/25/52/15/186255215.db2.gz ZEBQZRRLXNGKIW-UHFFFAOYSA-N 1 0 291.464 2.177 10 0 CEAERO Cc1nnc(SCC[NH2+][C@@H]2CCCC[C@H]2C)n1C ZINC000110250136 186289097 /nfs/dbraw/zinc/28/90/97/186289097.db2.gz HRIRFDBSQFLDPH-ZYHUDNBSSA-N 1 0 268.430 2.384 10 0 CEAERO FC(F)(F)c1cnc(NC[C@@H]2COCC[NH2+]2)c(Cl)c1 ZINC000236140863 539804234 /nfs/dbraw/zinc/80/42/34/539804234.db2.gz YAHAMRRYYLQQMJ-MRVPVSSYSA-N 1 0 295.692 2.154 10 0 CEAERO COc1ccc([C@@H]([NH3+])c2cccc(C)n2)c(OC)c1 ZINC000110474511 186297938 /nfs/dbraw/zinc/29/79/38/186297938.db2.gz ABHKCSHVPOIKEL-OAHLLOKOSA-N 1 0 258.321 2.455 10 0 CEAERO CC[C@H]([NH2+]C)[C@H](C)c1nc(Cc2ccncc2)no1 ZINC000110470186 186298078 /nfs/dbraw/zinc/29/80/78/186298078.db2.gz FKEGLEBFONHYKA-JQWIXIFHSA-N 1 0 260.341 2.157 10 0 CEAERO CCC[NH2+][C@@H](CC)[C@@H](C)c1nc(-c2cnccn2)no1 ZINC000110478825 186299258 /nfs/dbraw/zinc/29/92/58/186299258.db2.gz COSGUBKBVDZCMO-MNOVXSKESA-N 1 0 275.356 2.408 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](O[C@@H]1CCOC1)c1cccc(F)c1 ZINC000110525932 186300762 /nfs/dbraw/zinc/30/07/62/186300762.db2.gz ACJTURRSBQDQFU-MCIONIFRSA-N 1 0 253.317 2.410 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccc(C)s1)N1CCNC(=O)C1(C)C ZINC000110653418 186310716 /nfs/dbraw/zinc/31/07/16/186310716.db2.gz NGYZCYNASDARJD-WCQYABFASA-N 1 0 295.452 2.045 10 0 CEAERO CCC[C@]1(C(=O)Nc2nc3ccccc3[nH]2)CC[NH2+]C1 ZINC000110538161 186301953 /nfs/dbraw/zinc/30/19/53/186301953.db2.gz KIIKVLSRBDBNGO-HNNXBMFYSA-N 1 0 272.352 2.281 10 0 CEAERO C[C@@](O)(c1cnc2ccccc2c1)[C@H]1CCC[NH2+]C1 ZINC000110551859 186303586 /nfs/dbraw/zinc/30/35/86/186303586.db2.gz DRNUKWRNAAKSRL-BBRMVZONSA-N 1 0 256.349 2.442 10 0 CEAERO C[C@@H]1CCC[C@@H]1NC(=O)CC1CCC(C[NH3+])CC1 ZINC000110618401 186305050 /nfs/dbraw/zinc/30/50/50/186305050.db2.gz VLSNUKKUNUVNDL-RYSNWHEDSA-N 1 0 252.402 2.446 10 0 CEAERO C[C@H](Cc1ccccc1)NC(=O)Cc1ccc(C[NH3+])cc1 ZINC000110614403 186305925 /nfs/dbraw/zinc/30/59/25/186305925.db2.gz WNKFIVWXYDUMOK-CQSZACIVSA-N 1 0 282.387 2.435 10 0 CEAERO CC[NH+](CC)[C@@H]1CCN(c2cc(OC)c(F)cc2N)C1 ZINC000110628010 186306257 /nfs/dbraw/zinc/30/62/57/186306257.db2.gz YIRBXHCIFWNSAX-LLVKDONJSA-N 1 0 281.375 2.337 10 0 CEAERO COc1cc(N[C@H](C)CC[NH+](C)C)c(N)cc1F ZINC000110627044 186307042 /nfs/dbraw/zinc/30/70/42/186307042.db2.gz AWTWTHMMHPYOSW-SECBINFHSA-N 1 0 255.337 2.169 10 0 CEAERO CCCOc1cc(N2CC[NH+](CC)CC2)c(N)cc1F ZINC000110635665 186307740 /nfs/dbraw/zinc/30/77/40/186307740.db2.gz ZKTIAPWDYOZLNF-UHFFFAOYSA-N 1 0 281.375 2.339 10 0 CEAERO CCOCCCn1c(N)[nH+]c2cc(F)c(OC)cc21 ZINC000110629304 186307875 /nfs/dbraw/zinc/30/78/75/186307875.db2.gz HEUGOAROTAGAIN-UHFFFAOYSA-N 1 0 267.304 2.193 10 0 CEAERO CNc1nc(C[N@@H+]2CCC[C@@H](C)CC2)nc2c1cnn2C ZINC000110810137 186326042 /nfs/dbraw/zinc/32/60/42/186326042.db2.gz XMNRDOALFMXMKF-LLVKDONJSA-N 1 0 288.399 2.027 10 0 CEAERO COc1ccc([C@H](C[NH3+])NC(C)C)c(Cl)c1OC ZINC000110829455 186327139 /nfs/dbraw/zinc/32/71/39/186327139.db2.gz SKBTWZNTXNATEZ-JTQLQIEISA-N 1 0 272.776 2.355 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1cnn(C)c1)N(C)CC1CCCC1 ZINC000110832410 186328245 /nfs/dbraw/zinc/32/82/45/186328245.db2.gz BATBPFXVHRWESF-HUUCEWRRSA-N 1 0 264.417 2.321 10 0 CEAERO COc1ccc([C@@H](CO)[NH2+]C(C)C)c(Cl)c1OC ZINC000110831485 186328338 /nfs/dbraw/zinc/32/83/38/186328338.db2.gz TWBXSQKLRPKZGR-SNVBAGLBSA-N 1 0 273.760 2.389 10 0 CEAERO C[N@@H+](CC(=O)Nc1cccc(N)c1)CC1CCCC1 ZINC000110832902 186328434 /nfs/dbraw/zinc/32/84/34/186328434.db2.gz SZLLQUJAEQCPEC-UHFFFAOYSA-N 1 0 261.369 2.329 10 0 CEAERO C[C@@H]1CC[C@@H](C(=O)N(C)CC2CCCC2)C[C@@H]1[NH3+] ZINC000110848161 186329852 /nfs/dbraw/zinc/32/98/52/186329852.db2.gz AVGWIZZIXUHSCD-BNOWGMLFSA-N 1 0 252.402 2.399 10 0 CEAERO CN(CC(=O)Nc1ccc(Cl)cc1F)[C@@H]1CCC[NH2+]C1 ZINC000110928940 186333163 /nfs/dbraw/zinc/33/31/63/186333163.db2.gz NFBMFYVJVYUHIP-LLVKDONJSA-N 1 0 299.777 2.101 10 0 CEAERO COc1ccc(Cl)cc1C(=O)N(C)[C@H]1CCC[NH2+]C1 ZINC000110927577 186333732 /nfs/dbraw/zinc/33/37/32/186333732.db2.gz CQJMUSARHCMZLE-NSHDSACASA-N 1 0 282.771 2.173 10 0 CEAERO CCN(Cc1nnc(-c2ccccc2)o1)[C@@H]1CCC[NH2+]C1 ZINC000110942729 186334166 /nfs/dbraw/zinc/33/41/66/186334166.db2.gz YDLBYTBOPXSUMO-CQSZACIVSA-N 1 0 286.379 2.311 10 0 CEAERO CCCN(Cc1ccc(OC)c(O)c1)[C@H]1CCC[NH2+]C1 ZINC000110938331 186334580 /nfs/dbraw/zinc/33/45/80/186334580.db2.gz ODWHHNFSQAANAR-AWEZNQCLSA-N 1 0 278.396 2.365 10 0 CEAERO CCN(C(=O)COc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC000110939317 186334601 /nfs/dbraw/zinc/33/46/01/186334601.db2.gz AAYZNCKGQCWXMR-CYBMUJFWSA-N 1 0 296.798 2.319 10 0 CEAERO CCN(CC(=O)Nc1cc(C)ccc1C)[C@@H]1CCC[NH2+]C1 ZINC000110943252 186335164 /nfs/dbraw/zinc/33/51/64/186335164.db2.gz JNZNDMMGPKXTLZ-OAHLLOKOSA-N 1 0 289.423 2.316 10 0 CEAERO CCCN(CCC)C(=O)CN(CCC)[C@H]1CCC[NH2+]C1 ZINC000110946610 186335565 /nfs/dbraw/zinc/33/55/65/186335565.db2.gz YRGXPYLXILJCBK-HNNXBMFYSA-N 1 0 283.460 2.099 10 0 CEAERO CCCN(c1cccc(Cl)c1C(N)=O)[C@@H]1CCC[NH2+]C1 ZINC000110948362 186335916 /nfs/dbraw/zinc/33/59/16/186335916.db2.gz GUBAKRFTKQWHKG-LLVKDONJSA-N 1 0 295.814 2.407 10 0 CEAERO CC[C@H](C)NC(=O)COc1cc(C)ccc1[C@H](C)[NH3+] ZINC000110957802 186336911 /nfs/dbraw/zinc/33/69/11/186336911.db2.gz AJZIXJKHIJSGHS-RYUDHWBXSA-N 1 0 264.369 2.308 10 0 CEAERO CCN(CC)C(=O)[C@H](C[NH3+])Cc1ccc(C)c(F)c1 ZINC000110974659 186337558 /nfs/dbraw/zinc/33/75/58/186337558.db2.gz RZZOMVMVHLMUJQ-ZDUSSCGKSA-N 1 0 266.360 2.120 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(C)cc1OCCS(=O)(=O)CC ZINC000110961400 186337787 /nfs/dbraw/zinc/33/77/87/186337787.db2.gz LDSYWYFZKYRGHM-CYBMUJFWSA-N 1 0 299.436 2.479 10 0 CEAERO CSc1ccccc1OC[C@H]1CC[C@@H](C[NH3+])O1 ZINC000110984748 186338970 /nfs/dbraw/zinc/33/89/70/186338970.db2.gz XENCFTSSWTXPRN-WDEREUQCSA-N 1 0 253.367 2.294 10 0 CEAERO COCC[NH2+]C[C@@H](C)Oc1ccc(SC)cc1 ZINC000110986196 186339095 /nfs/dbraw/zinc/33/90/95/186339095.db2.gz USDSHHZYDJTRHX-LLVKDONJSA-N 1 0 255.383 2.412 10 0 CEAERO [NH3+]C[C@H](Oc1ccccc1CO)c1ccc(F)cc1 ZINC000110992591 186340380 /nfs/dbraw/zinc/34/03/80/186340380.db2.gz ZYXDQRHMXBFHTF-HNNXBMFYSA-N 1 0 261.296 2.397 10 0 CEAERO CC[C@H]1CN(C(=O)c2ccc(N)cc2Cl)CC[N@@H+]1C ZINC000110700853 186313789 /nfs/dbraw/zinc/31/37/89/186313789.db2.gz BIOWIXHJNJYUNV-NSHDSACASA-N 1 0 281.787 2.088 10 0 CEAERO CN1CC[N@H+](CCCOc2cccc(N)c2)CC1(C)C ZINC000110704462 186315178 /nfs/dbraw/zinc/31/51/78/186315178.db2.gz MYPWELROHJMXJN-UHFFFAOYSA-N 1 0 277.412 2.064 10 0 CEAERO C[N@@H+]1CCN(CC(=O)c2ccc3c(c2)CCC3)CC1(C)C ZINC000110729700 186318154 /nfs/dbraw/zinc/31/81/54/186318154.db2.gz JGKNHVCSDKYUNX-UHFFFAOYSA-N 1 0 286.419 2.384 10 0 CEAERO Cc1nc(N2CC[N@H+](C)C(C)(C)C2)sc1[C@@H](C)O ZINC000110759522 186321117 /nfs/dbraw/zinc/32/11/17/186321117.db2.gz ATHGPZKJFCPQGB-SNVBAGLBSA-N 1 0 269.414 2.035 10 0 CEAERO CCCc1nc(N2CC[N@H+](C)C(C)(C)C2)sc1CO ZINC000110760537 186322306 /nfs/dbraw/zinc/32/23/06/186322306.db2.gz YEGQVZFWMLZLAH-UHFFFAOYSA-N 1 0 283.441 2.118 10 0 CEAERO Cc1nc(C[NH3+])sc1-c1nc(CC(F)(F)F)no1 ZINC000110791050 186324444 /nfs/dbraw/zinc/32/44/44/186324444.db2.gz BNVVKIVHNAAVQK-UHFFFAOYSA-N 1 0 278.259 2.065 10 0 CEAERO CC[NH+](CC)CCCNC(=O)c1c(N)cccc1Cl ZINC000111008106 186342631 /nfs/dbraw/zinc/34/26/31/186342631.db2.gz RZUCHLTXEGKKOJ-UHFFFAOYSA-N 1 0 283.803 2.384 10 0 CEAERO COc1ccccc1[C@H]([C@H](C)[NH3+])N(C)CC1CCOCC1 ZINC000111155899 186361833 /nfs/dbraw/zinc/36/18/33/186361833.db2.gz FBWRVMXKDHVSDO-GUYCJALGSA-N 1 0 292.423 2.442 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccccn1)N(C)CC1CCOCC1 ZINC000111155609 186362596 /nfs/dbraw/zinc/36/25/96/186362596.db2.gz HTLHBYRVYIKJEP-GOEBONIOSA-N 1 0 277.412 2.218 10 0 CEAERO C[NH2+][C@H](CN(C)C[C@@H]1CCCOC1)c1cccc(OC)c1 ZINC000111160670 186362656 /nfs/dbraw/zinc/36/26/56/186362656.db2.gz VNBFVSAKQJZMQZ-WMLDXEAASA-N 1 0 292.423 2.314 10 0 CEAERO CN(C[C@@H]1CCCOC1)[C@@H](C[NH3+])c1ccc(F)cc1F ZINC000111158970 186362693 /nfs/dbraw/zinc/36/26/93/186362693.db2.gz GPMJAUITNNNAEP-NHYWBVRUSA-N 1 0 284.350 2.323 10 0 CEAERO C[NH2+][C@@H](CN(C)C[C@@H]1CCCOC1)c1ccc(OC)cc1 ZINC000111160562 186363059 /nfs/dbraw/zinc/36/30/59/186363059.db2.gz BETNOCSCLMUROA-YOEHRIQHSA-N 1 0 292.423 2.314 10 0 CEAERO Cc1cccc(C)c1OC[C@H](O)C[NH2+]CC1CCOCC1 ZINC000111161653 186363549 /nfs/dbraw/zinc/36/35/49/186363549.db2.gz CTXQCRSNZVENRA-MRXNPFEDSA-N 1 0 293.407 2.059 10 0 CEAERO CC[NH+](CC)[C@H](CNCC(OC)OC)c1ccccc1 ZINC000111111683 186353606 /nfs/dbraw/zinc/35/36/06/186353606.db2.gz XYKOLSVZXMGGNN-OAHLLOKOSA-N 1 0 280.412 2.278 10 0 CEAERO CCC[NH2+]Cc1cc(OCCOCCC)ccn1 ZINC000111111010 186353748 /nfs/dbraw/zinc/35/37/48/186353748.db2.gz HINCIOQVAOPJLD-UHFFFAOYSA-N 1 0 252.358 2.387 10 0 CEAERO CCCOCCOC[C@H]1CC[C@H](C[NH2+]CC(C)C)O1 ZINC000111111338 186353831 /nfs/dbraw/zinc/35/38/31/186353831.db2.gz QNCDSMRAULMPNO-HUUCEWRRSA-N 1 0 273.417 2.223 10 0 CEAERO CCOCCN(CC)[C@@H](C[NH3+])c1ccc(F)cc1F ZINC000111117561 186355126 /nfs/dbraw/zinc/35/51/26/186355126.db2.gz BZLLEORGYZQECC-AWEZNQCLSA-N 1 0 272.339 2.323 10 0 CEAERO CN(CCC[NH+](C)C)Cc1cc(N)ccc1Cl ZINC000111131656 186356232 /nfs/dbraw/zinc/35/62/32/186356232.db2.gz FVCYQZTYVMNGPZ-UHFFFAOYSA-N 1 0 255.793 2.306 10 0 CEAERO CN(CCC[NH+](C)C)C1N=NC(=S)N1C1CCCCC1 ZINC000111141310 186357764 /nfs/dbraw/zinc/35/77/64/186357764.db2.gz QLECLGKFNHGRCK-UHFFFAOYSA-N 1 0 297.472 2.460 10 0 CEAERO C[N@@H+](Cc1ccc(F)cc1C(N)=S)C[C@H]1CCCOC1 ZINC000111163053 186364472 /nfs/dbraw/zinc/36/44/72/186364472.db2.gz GFMJBCOBBNETJU-LLVKDONJSA-N 1 0 296.411 2.318 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CCOc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000111186377 186367079 /nfs/dbraw/zinc/36/70/79/186367079.db2.gz OLWXUXIMVHQJDK-CFVMTHIKSA-N 1 0 288.391 2.200 10 0 CEAERO C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCOc3ccccc32)C[NH2+]1 ZINC000111186408 186367303 /nfs/dbraw/zinc/36/73/03/186367303.db2.gz QPFLRRXBHRNHPA-KCQAQPDRSA-N 1 0 288.391 2.057 10 0 CEAERO CN(C)c1nnc(SCC[C@H]2CCCC[NH2+]2)s1 ZINC000111316609 186395685 /nfs/dbraw/zinc/39/56/85/186395685.db2.gz GYPKPYAWJOVGGE-SECBINFHSA-N 1 0 272.443 2.228 10 0 CEAERO CC(C)CC[N@H+]([C@@H](CN)C1CCOCC1)C1CC1 ZINC000111313664 186396159 /nfs/dbraw/zinc/39/61/59/186396159.db2.gz KDYGMAWDPINIGQ-HNNXBMFYSA-N 1 0 254.418 2.251 10 0 CEAERO CCC1(C)CC[NH+]([C@@H](CN)[C@@H]2CCCOC2)CC1 ZINC000111321255 186397435 /nfs/dbraw/zinc/39/74/35/186397435.db2.gz DJRHYUJSQFWNFA-KGLIPLIRSA-N 1 0 254.418 2.252 10 0 CEAERO CN(Cc1ccco1)C[C@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111325147 186398331 /nfs/dbraw/zinc/39/83/31/186398331.db2.gz OIQAYIDPAMNSAU-MRXNPFEDSA-N 1 0 278.396 2.260 10 0 CEAERO COc1ccc(C[N@H+](C)C[C@@]2(CO)CCCOC2)cc1F ZINC000111330975 186399909 /nfs/dbraw/zinc/39/99/09/186399909.db2.gz GFCATJDGVKJXFD-MRXNPFEDSA-N 1 0 297.370 2.055 10 0 CEAERO CC(C)[C@H](C[NH+](C)C)NCc1nc2ccccc2n1C ZINC000111233940 186373261 /nfs/dbraw/zinc/37/32/61/186373261.db2.gz CJKBHRDGFHWINJ-AWEZNQCLSA-N 1 0 274.412 2.249 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2c1cnnc2ccccc21 ZINC000111236633 186373303 /nfs/dbraw/zinc/37/33/03/186373303.db2.gz LEFLUVOVCFACIH-YOGCLGLASA-N 1 0 254.337 2.088 10 0 CEAERO CN(CC1CCOCC1)[C@@H](C[NH3+])c1ccccc1F ZINC000111239114 186374161 /nfs/dbraw/zinc/37/41/61/186374161.db2.gz QUVXBIXASCPHPW-HNNXBMFYSA-N 1 0 266.360 2.184 10 0 CEAERO CCC[C@@H](C)N(C)C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111243860 186375877 /nfs/dbraw/zinc/37/58/77/186375877.db2.gz KNESPJIXBBBORB-KOLCDFICSA-N 1 0 266.307 2.175 10 0 CEAERO Cc1ccc(CN(C)C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)o1 ZINC000111243673 186375940 /nfs/dbraw/zinc/37/59/40/186375940.db2.gz RZEHBMDCFJMNMY-GFCCVEGCSA-N 1 0 290.285 2.088 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)O[C@@H]1CCCc2ccccc21 ZINC000111257512 186379858 /nfs/dbraw/zinc/37/98/58/186379858.db2.gz SRQAYQWZIKBRTC-BYCMXARLSA-N 1 0 259.349 2.463 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1c1nc(-c2cc(F)cc(F)c2)no1 ZINC000111256537 186380005 /nfs/dbraw/zinc/38/00/05/186380005.db2.gz GYCQIMDIHCYIPM-HQJQHLMTSA-N 1 0 265.263 2.338 10 0 CEAERO CC(=O)Nc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@@H]2C)cc1Cl ZINC000111265451 186381768 /nfs/dbraw/zinc/38/17/68/186381768.db2.gz IUJPYAGWUZZRLP-GZMMTYOYSA-N 1 0 295.770 2.092 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cc(Cl)ccc1F ZINC000111263948 186382001 /nfs/dbraw/zinc/38/20/01/186382001.db2.gz UIBASSNFMWHSBO-CBAPKCEASA-N 1 0 256.708 2.273 10 0 CEAERO CSc1ccccc1NC(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000111265107 186382109 /nfs/dbraw/zinc/38/21/09/186382109.db2.gz IYCKVIREANAENN-ZJUUUORDSA-N 1 0 250.367 2.203 10 0 CEAERO C[C@H](NC(=O)[C@@H]1C[NH2+]C[C@@H]1C)c1cc2ccccc2o1 ZINC000111266214 186382853 /nfs/dbraw/zinc/38/28/53/186382853.db2.gz MQAGFEXUHCKXOM-GMXVVIOVSA-N 1 0 272.348 2.466 10 0 CEAERO CC(C)C(=O)Nc1cccc(NC(=O)[C@@H]2C[NH2+]C[C@@H]2C)c1 ZINC000111266425 186382911 /nfs/dbraw/zinc/38/29/11/186382911.db2.gz OTNTXLAXPYCVHI-SMDDNHRTSA-N 1 0 289.379 2.075 10 0 CEAERO C[C@@H](c1ccccc1F)N(C)C(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000111268687 186383944 /nfs/dbraw/zinc/38/39/44/186383944.db2.gz DXFGCLXBKTVVKM-GMXVVIOVSA-N 1 0 264.344 2.201 10 0 CEAERO CCN(Cc1cccc(C)c1)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000111268777 186384160 /nfs/dbraw/zinc/38/41/60/186384160.db2.gz TYWGXHYMYBSGQW-UKRRQHHQSA-N 1 0 260.381 2.199 10 0 CEAERO CC[C@H](C)c1nc(C)c(CC[NH2+]CCOC)c(C)n1 ZINC000111275432 186385852 /nfs/dbraw/zinc/38/58/52/186385852.db2.gz JZLXDYMGLJTNAN-NSHDSACASA-N 1 0 265.401 2.385 10 0 CEAERO C[C@@H]([NH3+])Cc1c(N(C)CC2CC2)nc2sccn12 ZINC000111498517 186425286 /nfs/dbraw/zinc/42/52/86/186425286.db2.gz WKCJNJYUFPRLAO-SECBINFHSA-N 1 0 264.398 2.132 10 0 CEAERO Cc1nn(C)c(Oc2cc(F)cc(F)c2)c1CC[NH3+] ZINC000111523683 186426100 /nfs/dbraw/zinc/42/61/00/186426100.db2.gz MFJZXWWZQGFWBR-UHFFFAOYSA-N 1 0 267.279 2.300 10 0 CEAERO COc1ccc(Oc2c(C[C@@H](C)[NH3+])c(C)nn2C)cc1 ZINC000111520431 186426234 /nfs/dbraw/zinc/42/62/34/186426234.db2.gz PKTMDORFBZRKKF-SNVBAGLBSA-N 1 0 275.352 2.419 10 0 CEAERO [NH3+]CCc1c(Oc2cccnc2)nc2ccccn21 ZINC000111515278 186426268 /nfs/dbraw/zinc/42/62/68/186426268.db2.gz QKHZCMZOQWHPPG-UHFFFAOYSA-N 1 0 254.293 2.023 10 0 CEAERO [NH3+]CCc1cc2ccccc2nc1Sc1nc[nH]n1 ZINC000111580078 186429566 /nfs/dbraw/zinc/42/95/66/186429566.db2.gz RASFNSQAXKBKJG-UHFFFAOYSA-N 1 0 271.349 2.005 10 0 CEAERO CC[C@H]([NH3+])Cc1c(C)nn(C)c1Sc1cc(C)nn1C ZINC000111587266 186429744 /nfs/dbraw/zinc/42/97/44/186429744.db2.gz JXDDLNIRVJFNFP-NSHDSACASA-N 1 0 293.440 2.201 10 0 CEAERO Cc1nnc(Sc2nc3sccn3c2C[C@H](C)[NH3+])o1 ZINC000111585419 186429808 /nfs/dbraw/zinc/42/98/08/186429808.db2.gz PRYJSHUJCCYHMP-LURJTMIESA-N 1 0 295.393 2.128 10 0 CEAERO CCC[NH2+]C[C@@H]1CCCCN1Cc1noc(CCC)n1 ZINC000111701917 186446606 /nfs/dbraw/zinc/44/66/06/186446606.db2.gz QCHBCBCUGKIYCR-ZDUSSCGKSA-N 1 0 280.416 2.376 10 0 CEAERO CC[NH2+]C[C@H]1CCCCN1Cc1noc(C(C)C)n1 ZINC000111701357 186446736 /nfs/dbraw/zinc/44/67/36/186446736.db2.gz LYROQLDRCDSMRS-GFCCVEGCSA-N 1 0 266.389 2.157 10 0 CEAERO COCC[NH2+]C[C@H]1CCCCN1CCc1scnc1C ZINC000111705620 186447766 /nfs/dbraw/zinc/44/77/66/186447766.db2.gz JZJAKBBZUIYZCV-CQSZACIVSA-N 1 0 297.468 2.085 10 0 CEAERO CC(C)CNC(=O)[C@@H](C)N1CCCC[C@@H]1C[NH2+]C(C)(C)C ZINC000111704130 186448079 /nfs/dbraw/zinc/44/80/79/186448079.db2.gz OGGWQCINUFVXDG-HUUCEWRRSA-N 1 0 297.487 2.390 10 0 CEAERO C[C@H]1C[C@@H]1CN(C)C(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000111769333 186455194 /nfs/dbraw/zinc/45/51/94/186455194.db2.gz UZSVORLDIITSNK-LSDHHAIUSA-N 1 0 286.419 2.422 10 0 CEAERO C[C@H]1CN(Cc2nnc(-c3ccc(F)cc3)o2)C[C@H](C)[NH2+]1 ZINC000111784799 186456334 /nfs/dbraw/zinc/45/63/34/186456334.db2.gz QVLLYWCKABEQEZ-QWRGUYRKSA-N 1 0 290.342 2.058 10 0 CEAERO Cc1ccc(-c2noc(COC3CC[NH2+]CC3)n2)cc1F ZINC000111794289 186458034 /nfs/dbraw/zinc/45/80/34/186458034.db2.gz OVDMPZFEFFVORQ-UHFFFAOYSA-N 1 0 291.326 2.453 10 0 CEAERO CC(C)C[C@@H](C[NH3+])Nc1ccc(Cl)cc1C(N)=O ZINC000111830395 186460863 /nfs/dbraw/zinc/46/08/63/186460863.db2.gz HOYPMFFSJOMZLV-JTQLQIEISA-N 1 0 269.776 2.224 10 0 CEAERO Cc1ccccc1C(=O)N[C@H](C[NH3+])Cc1ccccc1 ZINC000111365805 186406641 /nfs/dbraw/zinc/40/66/41/186406641.db2.gz KYBNTFNRKZHKOQ-HNNXBMFYSA-N 1 0 268.360 2.295 10 0 CEAERO Cc1ccc(F)cc1C(=O)N[C@@H](C[NH3+])Cc1ccccc1 ZINC000111365932 186407111 /nfs/dbraw/zinc/40/71/11/186407111.db2.gz KPMDLMMVVZRCKL-OAHLLOKOSA-N 1 0 286.350 2.434 10 0 CEAERO Cc1cc2ncnn2c(N[C@H](C[NH3+])c2ccccc2)c1 ZINC000111376297 186409354 /nfs/dbraw/zinc/40/93/54/186409354.db2.gz WHGJFGHFSWMYJM-CYBMUJFWSA-N 1 0 267.336 2.150 10 0 CEAERO CC[N@H+](Cc1ccc(OC)c(OC)c1)CC(C)(C)O ZINC000112675028 186515721 /nfs/dbraw/zinc/51/57/21/186515721.db2.gz YCYBXFBACCIYQK-UHFFFAOYSA-N 1 0 267.369 2.297 10 0 CEAERO CCCS(=O)(=O)c1ccccc1N1CC[NH2+]CC1(C)C ZINC000113210744 186560899 /nfs/dbraw/zinc/56/08/99/186560899.db2.gz RXWBTBKBGUECGR-UHFFFAOYSA-N 1 0 296.436 2.059 10 0 CEAERO CN1CC[C@H]([NH3+])[C@@H]1c1ccc(Br)s1 ZINC000069799118 363001314 /nfs/dbraw/zinc/00/13/14/363001314.db2.gz JHVOODYTMGTXRV-IMTBSYHQSA-N 1 0 261.188 2.215 10 0 CEAERO CN1CC[C@H](C[NH3+])[C@@H]1c1cc(Br)cs1 ZINC000069796282 363001770 /nfs/dbraw/zinc/00/17/70/363001770.db2.gz QQXGALQCTGPRTA-GMSGAONNSA-N 1 0 275.215 2.462 10 0 CEAERO CC(C)[C@@H]([NH3+])CNc1ncccc1Br ZINC000070010460 363018869 /nfs/dbraw/zinc/01/88/69/363018869.db2.gz GLMQHAQHZIPTIY-VIFPVBQESA-N 1 0 258.163 2.239 10 0 CEAERO C[NH+]1CCC(Nc2nccc(C(F)(F)F)n2)CC1 ZINC000070250609 363061492 /nfs/dbraw/zinc/06/14/92/363061492.db2.gz UYCMWVYDLOGUPC-UHFFFAOYSA-N 1 0 260.263 2.002 10 0 CEAERO C[C@H]1CN(C(=O)c2csc(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000630094101 351616621 /nfs/dbraw/zinc/61/66/21/351616621.db2.gz ZHJSPEFYYNPLNU-IONNQARKSA-N 1 0 292.326 2.434 10 0 CEAERO Cc1nc(NC[C@@H]2CCC[NH2+]C2)cc(-c2cccnc2)n1 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C[C@H]1CN(c2cccc(C(F)(F)F)n2)C[C@@H]1C[NH3+] ZINC000630573515 351789241 /nfs/dbraw/zinc/78/92/41/351789241.db2.gz UHBJLWPOUYLGBQ-IUCAKERBSA-N 1 0 259.275 2.131 10 0 CEAERO COc1cccnc1N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000630517553 351769433 /nfs/dbraw/zinc/76/94/33/351769433.db2.gz SGVMWRRRCRRICM-CQSZACIVSA-N 1 0 275.396 2.306 10 0 CEAERO Cc1cnccc1NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000122109082 187015212 /nfs/dbraw/zinc/01/52/12/187015212.db2.gz WIHSPOVZECBNOT-JSGCOSHPSA-N 1 0 276.384 2.240 10 0 CEAERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2c[nH]nc2C)C1 ZINC000122957090 187062078 /nfs/dbraw/zinc/06/20/78/187062078.db2.gz OKQWCQCKXPKCDX-CQSZACIVSA-N 1 0 273.384 2.314 10 0 CEAERO Cc1ccc([C@H](C)[NH2+]C[C@H](C)N2CCOCC2)s1 ZINC000123219107 187078584 /nfs/dbraw/zinc/07/85/84/187078584.db2.gz HHYKGNCJEHHQBF-AAEUAGOBSA-N 1 0 268.426 2.428 10 0 CEAERO CC[C@@](C)(O)C[N@H+](C)CCOc1ccccc1F ZINC000123235634 187079963 /nfs/dbraw/zinc/07/99/63/187079963.db2.gz KNNRLMIDDKSTHQ-CQSZACIVSA-N 1 0 255.333 2.297 10 0 CEAERO COc1ccc([C@H](C)[NH2+]C[C@H](C)N2CCOCC2)cc1F ZINC000123305938 187084003 /nfs/dbraw/zinc/08/40/03/187084003.db2.gz WCDOTLFSJBAHTJ-STQMWFEESA-N 1 0 296.386 2.206 10 0 CEAERO C[C@H](C[NH2+][C@H](C)c1cccs1)N1CCOCC1 ZINC000123342508 187086339 /nfs/dbraw/zinc/08/63/39/187086339.db2.gz IWJORPQDWSNPGF-VXGBXAGGSA-N 1 0 254.399 2.119 10 0 CEAERO CCc1csc(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000131062041 187538696 /nfs/dbraw/zinc/53/86/96/187538696.db2.gz YUDNIIJQGGLFCH-WCQGTBRESA-N 1 0 251.399 2.269 10 0 CEAERO [NH3+][C@H](c1ccc(Br)s1)c1cncnc1 ZINC000070597643 363100453 /nfs/dbraw/zinc/10/04/53/363100453.db2.gz VOISLCIABQMZKP-VIFPVBQESA-N 1 0 270.155 2.349 10 0 CEAERO O[C@H]1CCCC[C@H]1[NH+]1CCC(Nc2cccc(F)n2)CC1 ZINC000132848936 187650400 /nfs/dbraw/zinc/65/04/00/187650400.db2.gz CULMIODVDADABA-KGLIPLIRSA-N 1 0 293.386 2.401 10 0 CEAERO CN(CCc1cccs1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000093289822 539846809 /nfs/dbraw/zinc/84/68/09/539846809.db2.gz AOKVIODVGCLHOC-AAEUAGOBSA-N 1 0 266.410 2.124 10 0 CEAERO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CN(CC)CCO1 ZINC000252638480 539883647 /nfs/dbraw/zinc/88/36/47/539883647.db2.gz ITJUJUMUVNYFNX-ILXRZTDVSA-N 1 0 254.418 2.266 10 0 CEAERO C[C@H]1COC[C@H](C)[NH+]1CCC(=O)N(C)c1ccccc1 ZINC000135096210 187794518 /nfs/dbraw/zinc/79/45/18/187794518.db2.gz ROOPRTYXHPQMAS-KBPBESRZSA-N 1 0 276.380 2.149 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1CN1CCCc2ccccc21 ZINC000090566046 535187796 /nfs/dbraw/zinc/18/77/96/535187796.db2.gz RJDHUICTBUPIAX-HZPDHXFCSA-N 1 0 274.408 2.454 10 0 CEAERO Brc1cnc2c(c1)nccc2N[C@@H]1CC[NH2+]C1 ZINC000135528731 187837444 /nfs/dbraw/zinc/83/74/44/187837444.db2.gz ZJCDDLFLEZTKOE-SECBINFHSA-N 1 0 293.168 2.166 10 0 CEAERO CCC[NH2+][C@H](C)C1CCN(c2ncc(C)cn2)CC1 ZINC000111717623 535191552 /nfs/dbraw/zinc/19/15/52/535191552.db2.gz QTEIDMQBJFSWLG-CYBMUJFWSA-N 1 0 262.401 2.390 10 0 CEAERO CCC[NH2+][C@H]1CCCN(c2ccc(N(C)C)cc2)C1=O ZINC000071040730 535192093 /nfs/dbraw/zinc/19/20/93/535192093.db2.gz ABEXTPYZMXPOIL-HNNXBMFYSA-N 1 0 275.396 2.248 10 0 CEAERO CC(C)c1ccc([C@@H](C)NC(=O)COC2(C)C[NH2+]C2)cc1 ZINC000098060467 539960690 /nfs/dbraw/zinc/96/06/90/539960690.db2.gz NUUXGVLBMYFZQT-CYBMUJFWSA-N 1 0 290.407 2.366 10 0 CEAERO O[C@H](C[NH2+][C@@H]1C[C@H]1c1ccccc1)COCc1ccco1 ZINC000250827832 539969453 /nfs/dbraw/zinc/96/94/53/539969453.db2.gz ZBOCFPVBBJXPLY-HYVNUMGLSA-N 1 0 287.359 2.303 10 0 CEAERO CCC[C@H](C(=O)N1CCN(c2cccs2)CC1)[NH+](C)C ZINC000154061510 188120594 /nfs/dbraw/zinc/12/05/94/188120594.db2.gz CZJXILUJMLUEOQ-CYBMUJFWSA-N 1 0 295.452 2.127 10 0 CEAERO COCOc1ccc(OC)cc1C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000154479517 188144812 /nfs/dbraw/zinc/14/48/12/188144812.db2.gz MVWJTJMCKRPOAI-DOMZBBRYSA-N 1 0 295.379 2.335 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)/C=C/c1cccc(O)c1 ZINC000155318826 188199512 /nfs/dbraw/zinc/19/95/12/188199512.db2.gz LWNUGIJPTDSGEY-BOLDSZDNSA-N 1 0 288.391 2.348 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(Cl)o2)C1 ZINC000155530517 188212079 /nfs/dbraw/zinc/21/20/79/188212079.db2.gz AWJYOJNWVYMNHI-ZJUUUORDSA-N 1 0 270.760 2.392 10 0 CEAERO C[C@@H]([NH3+])C(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000157137086 188299185 /nfs/dbraw/zinc/29/91/85/188299185.db2.gz FXKLJKOPQSPZRY-GFCCVEGCSA-N 1 0 258.321 2.156 10 0 CEAERO C[C@@H]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000252120020 539999480 /nfs/dbraw/zinc/99/94/80/539999480.db2.gz JERCOBGRGSNMNO-XJFOESAGSA-N 1 0 252.402 2.304 10 0 CEAERO C[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]2C[NH3+])C[C@@H](C)C1 ZINC000252100454 539998402 /nfs/dbraw/zinc/99/84/02/539998402.db2.gz IIDKXYQOKZOXRK-VJTDZRGJSA-N 1 0 252.402 2.302 10 0 CEAERO Nc1ccc2c(c1)C=[NH+]CCN2C(=O)c1cccc(F)c1 ZINC000073642223 363237738 /nfs/dbraw/zinc/23/77/38/363237738.db2.gz YUXDSAYZLMBXDN-UHFFFAOYSA-N 1 0 283.306 2.487 10 0 CEAERO Cc1cc2ccccc2nc1N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000156563259 540008853 /nfs/dbraw/zinc/00/88/53/540008853.db2.gz VUGQEUQLWHUNLI-DOMZBBRYSA-N 1 0 271.364 2.096 10 0 CEAERO COC[C@@H](C)C(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000133104928 366195237 /nfs/dbraw/zinc/19/52/37/366195237.db2.gz NUMXBAJKQKEBIJ-CQSZACIVSA-N 1 0 292.423 2.296 10 0 CEAERO CC[C@H](O)CN1CC[NH+](C[C@@H]2CCC[C@H](C)C2)CC1 ZINC000133413501 366222388 /nfs/dbraw/zinc/22/23/88/366222388.db2.gz XBRGQGWDERNABH-XHSDSOJGSA-N 1 0 268.445 2.201 10 0 CEAERO CC(C)(C)OC(=O)N1CC(c2cncc(F)c2)=C[C@H]([NH3+])C1 ZINC000675077963 540118922 /nfs/dbraw/zinc/11/89/22/540118922.db2.gz LAKRNDPLKWFNKY-ZDUSSCGKSA-N 1 0 293.342 2.182 10 0 CEAERO CC(C)C(=O)N1[C@@H](CC[NH3+])CCC[C@H]1C(F)(F)F ZINC000675072296 540113596 /nfs/dbraw/zinc/11/35/96/540113596.db2.gz BFILUYYBFVHPGX-ZJUUUORDSA-N 1 0 266.307 2.303 10 0 CEAERO Cc1ccc(CN2CC[C@H]3OCC[NH2+][C@H]3C2)c(Cl)c1 ZINC000404257784 540120604 /nfs/dbraw/zinc/12/06/04/540120604.db2.gz MWDHAVLJILMFKT-LSDHHAIUSA-N 1 0 280.799 2.211 10 0 CEAERO [NH3+]C[C@]12CCC[C@H]1CN(c1cncc(Br)c1)C2 ZINC000380070443 540125400 /nfs/dbraw/zinc/12/54/00/540125400.db2.gz QDNOIFCWCVIFFC-GWCFXTLKSA-N 1 0 296.212 2.409 10 0 CEAERO CC(=O)c1cc(F)ccc1N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000124300749 540147244 /nfs/dbraw/zinc/14/72/44/540147244.db2.gz PHASWHLORNLBEV-BONVTDFDSA-N 1 0 264.344 2.415 10 0 CEAERO CCC1(CC)[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C[C@@H]1OC ZINC000261670547 540150067 /nfs/dbraw/zinc/15/00/67/540150067.db2.gz GAMIKNMCRXAMQI-SYQHCUMBSA-N 1 0 282.428 2.071 10 0 CEAERO CN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])C(C1CC1)C1CC1 ZINC000261795382 540151666 /nfs/dbraw/zinc/15/16/66/540151666.db2.gz QOSMMKLXCPHZDY-CHWSQXEVSA-N 1 0 250.386 2.008 10 0 CEAERO C[C@@H](NC(=O)CC[NH2+]C1CC1)c1ccc(F)c(F)c1 ZINC000037612752 540154139 /nfs/dbraw/zinc/15/41/39/540154139.db2.gz SOZPGEYXRFQVOP-SECBINFHSA-N 1 0 268.307 2.284 10 0 CEAERO [NH3+]CC[C@H](O)c1ccc(Br)c(Cl)c1 ZINC000088126377 540154306 /nfs/dbraw/zinc/15/43/06/540154306.db2.gz QOHJANXHKRSHGL-VIFPVBQESA-N 1 0 264.550 2.485 10 0 CEAERO C[C@](O)(C[NH+]1CCC(CCCO)CC1)c1ccccc1 ZINC000273026109 192024682 /nfs/dbraw/zinc/02/46/82/192024682.db2.gz SVOGNOQNGNTCBU-KRWDZBQOSA-N 1 0 277.408 2.379 10 0 CEAERO CCCN(CC)CC[NH2+][C@@H]1C[C@H](OCC)C12CCOCC2 ZINC000186371058 283173656 /nfs/dbraw/zinc/17/36/56/283173656.db2.gz IIRGUVSUXUSJAM-CVEARBPZSA-N 1 0 298.471 2.282 10 0 CEAERO C[C@@H]1C[C@@H]1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000075509295 363468770 /nfs/dbraw/zinc/46/87/70/363468770.db2.gz YJPXMFOHYYOSON-DOMZBBRYSA-N 1 0 258.365 2.421 10 0 CEAERO C[C@@H]1CC[C@H](CN2C(=O)c3ccccc3C2=O)[NH2+][C@@H]1C ZINC000575519418 366292305 /nfs/dbraw/zinc/29/23/05/366292305.db2.gz UCENDDCMTLUDLF-IJLUTSLNSA-N 1 0 272.348 2.059 10 0 CEAERO [NH3+]C1(Cc2cc(Br)cs2)CSC1 ZINC000575549194 366294043 /nfs/dbraw/zinc/29/40/43/366294043.db2.gz IRHXHKQKMMGJKQ-UHFFFAOYSA-N 1 0 264.213 2.497 10 0 CEAERO [NH3+]C1(Cc2sccc2Br)CSC1 ZINC000575548402 366294619 /nfs/dbraw/zinc/29/46/19/366294619.db2.gz CVJZBQKUSDMDKX-UHFFFAOYSA-N 1 0 264.213 2.497 10 0 CEAERO O=C1CCN(Cc2ccccc2)c2cc[nH+]cc2N1 ZINC000575578723 366296037 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ZINC000135044002 366389940 /nfs/dbraw/zinc/38/99/40/366389940.db2.gz IHYSNHQGKFXANA-ZDUSSCGKSA-N 1 0 278.421 2.477 10 0 CEAERO C[C@@]1(C(=O)Nc2ccc(Cn3cccn3)cc2)CCC[NH2+]1 ZINC000079516050 363612388 /nfs/dbraw/zinc/61/23/88/363612388.db2.gz MDOWJNANFUZSGN-INIZCTEOSA-N 1 0 284.363 2.012 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccoc1C(=O)OC ZINC000136074673 366494255 /nfs/dbraw/zinc/49/42/55/366494255.db2.gz JSZVHEXJEPQNCP-ZIAGYGMSSA-N 1 0 292.379 2.125 10 0 CEAERO CCO[C@@H]1C[C@@H]([N@H+](C)CC(OC)OC)C12CCCC2 ZINC000136795847 366527517 /nfs/dbraw/zinc/52/75/17/366527517.db2.gz XGSMWAMLSAGCIQ-CHWSQXEVSA-N 1 0 271.401 2.275 10 0 CEAERO CC[C@@H](NC(=O)C[C@@H]1CCC[NH2+]C1)c1nccs1 ZINC000080268973 363652846 /nfs/dbraw/zinc/65/28/46/363652846.db2.gz NLQMVSBOYTVQAV-WDEREUQCSA-N 1 0 267.398 2.100 10 0 CEAERO Cc1cccc([C@@H](C)NC[C@H](O)C[N@@H+](C)C(C)C)c1 ZINC000311773789 540458214 /nfs/dbraw/zinc/45/82/14/540458214.db2.gz YBOFCUSRNRWCGO-ZBFHGGJFSA-N 1 0 264.413 2.347 10 0 CEAERO O=C(N[C@H]1CCCC12CCCCC2)[C@@H]1CC[NH2+]C1 ZINC000312997511 540463695 /nfs/dbraw/zinc/46/36/95/540463695.db2.gz QOVDGNLPXOFYKE-OLZOCXBDSA-N 1 0 250.386 2.215 10 0 CEAERO CC[NH+](CC)[C@@H](C)CNc1ncnc2onc(C)c21 ZINC000195508547 540605943 /nfs/dbraw/zinc/60/59/43/540605943.db2.gz ZIIBTKZXJGKBFG-VIFPVBQESA-N 1 0 263.345 2.068 10 0 CEAERO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000111366218 283472613 /nfs/dbraw/zinc/47/26/13/283472613.db2.gz JKONBGFUVZFTSG-VIFPVBQESA-N 1 0 290.260 2.408 10 0 CEAERO CC[NH2+]Cc1ccnc(C(Cl)(Cl)Cl)n1 ZINC000685959691 540658997 /nfs/dbraw/zinc/65/89/97/540658997.db2.gz QSUASGBYTGICHQ-UHFFFAOYSA-N 1 0 254.548 2.413 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)NCc2ccccc2)[C@@H](C)C1 ZINC000150853629 366601730 /nfs/dbraw/zinc/60/17/30/366601730.db2.gz NLPZXGNEQACCGK-ZFWWWQNUSA-N 1 0 275.396 2.215 10 0 CEAERO C[C@@H](NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(F)c1 ZINC000151325456 366640290 /nfs/dbraw/zinc/64/02/90/366640290.db2.gz QTMXPIUBFOVSJS-CZUORRHYSA-N 1 0 280.387 2.323 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCCc2cc(F)ccc21 ZINC000261885059 283513969 /nfs/dbraw/zinc/51/39/69/283513969.db2.gz ZQFXOOHPBZBOSK-TZMCWYRMSA-N 1 0 276.355 2.480 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCc1ccccc1 ZINC000177025761 189022143 /nfs/dbraw/zinc/02/21/43/189022143.db2.gz OBERHULLKUOLQU-MRXNPFEDSA-N 1 0 289.423 2.355 10 0 CEAERO CC[C@H]1CN([C@@H](C)c2ccccn2)CC[N@@H+]1CCOC ZINC000177132250 189031453 /nfs/dbraw/zinc/03/14/53/189031453.db2.gz MGPYADZNBXWQPH-GJZGRUSLSA-N 1 0 277.412 2.185 10 0 CEAERO COc1cccc([C@@H](C)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000177245045 189039025 /nfs/dbraw/zinc/03/90/25/189039025.db2.gz FXYVVWMQLCWNHO-GDBMZVCRSA-N 1 0 292.423 2.193 10 0 CEAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCc1ccccn1 ZINC000178300460 189103849 /nfs/dbraw/zinc/10/38/49/189103849.db2.gz KANMOANOTAQCBY-INIZCTEOSA-N 1 0 270.380 2.294 10 0 CEAERO C[NH2+]C[C@H]1CCCN1c1ccc(C(F)(F)F)cn1 ZINC000053703624 283601289 /nfs/dbraw/zinc/60/12/89/283601289.db2.gz CBWXPQWRYHRCCH-SNVBAGLBSA-N 1 0 259.275 2.289 10 0 CEAERO COc1ccc([C@H](C)[NH2+][C@@H]2CCc3ncnn3C2)cc1F ZINC000180605767 189265458 /nfs/dbraw/zinc/26/54/58/189265458.db2.gz PKVJOEHKPROTOR-CMPLNLGQSA-N 1 0 290.342 2.091 10 0 CEAERO CCCc1csc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)n1 ZINC000180631761 189267046 /nfs/dbraw/zinc/26/70/46/189267046.db2.gz DFQWFMZDXJCCCD-LLVKDONJSA-N 1 0 282.413 2.263 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cnn(CC(C)C)c1 ZINC000180695803 189270361 /nfs/dbraw/zinc/27/03/61/189270361.db2.gz MZHVSTCMRYRCML-OAHLLOKOSA-N 1 0 294.443 2.245 10 0 CEAERO CC[NH+](CC)CCCOC(=O)c1ccc(N)cc1 ZINC000001610522 361211214 /nfs/dbraw/zinc/21/12/14/361211214.db2.gz IGYSCUBTDYKFBB-UHFFFAOYSA-N 1 0 250.342 2.158 10 0 CEAERO CC[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccccc1F ZINC000180853446 189279911 /nfs/dbraw/zinc/27/99/11/189279911.db2.gz ACOFRWUCMNUTFG-FZMZJTMJSA-N 1 0 274.343 2.473 10 0 CEAERO CC[NH2+]C[C@@H](O)c1cccc(OC(=O)C(C)(C)C)c1 ZINC000004213185 361305254 /nfs/dbraw/zinc/30/52/54/361305254.db2.gz DRMHNJGOEAYOIZ-CYBMUJFWSA-N 1 0 265.353 2.281 10 0 in-man CEAERO CC[NH+](CC)CCNc1cc(N2CCC[C@H](C)C2)ncn1 ZINC000152854623 366717738 /nfs/dbraw/zinc/71/77/38/366717738.db2.gz FMQHTEBUKABABM-AWEZNQCLSA-N 1 0 291.443 2.467 10 0 CEAERO Cn1cc([C@H]2CC[N@H+](CCC(=O)c3ccccc3)C2)cn1 ZINC000182313288 189319259 /nfs/dbraw/zinc/31/92/59/189319259.db2.gz PTTNBQVDHPSWMI-HNNXBMFYSA-N 1 0 283.375 2.482 10 0 CEAERO C[C@@H]1COC[C@H](C)[N@H+]1C[C@H](O)CCc1ccccc1 ZINC000182407346 189323086 /nfs/dbraw/zinc/32/30/86/189323086.db2.gz UVVSIRCVABLJTC-IJEWVQPXSA-N 1 0 263.381 2.089 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(Cl)cc2F)C1 ZINC000082287113 363759575 /nfs/dbraw/zinc/75/95/75/363759575.db2.gz YNJGISRDUISTEA-SNVBAGLBSA-N 1 0 270.735 2.255 10 0 CEAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccc(Cl)nc1 ZINC000083704075 363785387 /nfs/dbraw/zinc/78/53/87/363785387.db2.gz LVSBRWOSEWNOKR-DGCLKSJQSA-N 1 0 293.798 2.434 10 0 CEAERO CCC(CC)[C@H]1C[C@@H](NC(=O)C2CC[NH2+]CC2)CCO1 ZINC000183086182 189346028 /nfs/dbraw/zinc/34/60/28/189346028.db2.gz XVXQCFUUJDIPDM-LSDHHAIUSA-N 1 0 282.428 2.086 10 0 CEAERO Cc1cccc2c(NCCN3C(=O)CCC3=O)cc[nH+]c12 ZINC000301668733 201127358 /nfs/dbraw/zinc/12/73/58/201127358.db2.gz MVTLZYDCBMPWRT-UHFFFAOYSA-N 1 0 283.331 2.104 10 0 CEAERO C[C@@H](C[C@](C(N)=O)(c1ccccc1)c1ccccn1)[NH+](C)C ZINC000013736669 361439614 /nfs/dbraw/zinc/43/96/14/361439614.db2.gz BWNLUIXQIHPUGO-KSSFIOAISA-N 1 0 297.402 2.193 10 0 in-man CEAERO CCOCC[N@@H+]1CCN(c2nc3ccccc3[nH]2)C[C@H]1C ZINC000301873931 201243140 /nfs/dbraw/zinc/24/31/40/201243140.db2.gz JPUBHTLZAIPOIG-CYBMUJFWSA-N 1 0 288.395 2.110 10 0 CEAERO CC(C)[NH2+]C[C@H](O)COc1cccc2cccc(O)c21 ZINC000026842471 361645553 /nfs/dbraw/zinc/64/55/53/361645553.db2.gz JGLQXORGAMZOJX-ZDUSSCGKSA-N 1 0 275.348 2.283 10 0 CEAERO CC[NH+](CC)CCCN1C(=O)C[C@@H](c2ccccc2)C1=O ZINC000027562772 361655012 /nfs/dbraw/zinc/65/50/12/361655012.db2.gz CTKCSDYLLGSFQU-HNNXBMFYSA-N 1 0 288.391 2.261 10 0 CEAERO O=C(c1cc(-c2ccccc2)on1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000028233176 361669293 /nfs/dbraw/zinc/66/92/93/361669293.db2.gz KPDITNLIOYSMER-CQSZACIVSA-N 1 0 297.358 2.262 10 0 CEAERO C[C@H](COc1ccccc1)NC(=O)C[N@@H+]1CCCC[C@@H]1C ZINC000031283614 361710704 /nfs/dbraw/zinc/71/07/04/361710704.db2.gz BSXYTWIMVKWVPG-CABCVRRESA-N 1 0 290.407 2.445 10 0 CEAERO Fc1cccc(C(F)(F)F)c1CN1CC[NH2+]CC1 ZINC000084933592 363826137 /nfs/dbraw/zinc/82/61/37/363826137.db2.gz BRBBZTVFKGLHKL-UHFFFAOYSA-N 1 0 262.250 2.250 10 0 CEAERO CCCN(c1nc(C(C)C)ns1)[C@@H]1CC[NH2+]C1 ZINC000087642668 363865242 /nfs/dbraw/zinc/86/52/42/363865242.db2.gz UWCDZNAUWRSPSQ-SNVBAGLBSA-N 1 0 254.403 2.240 10 0 CEAERO CC(C)n1cncc1C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000090209456 364050562 /nfs/dbraw/zinc/05/05/62/364050562.db2.gz NFXKBFCUSSUIRC-TZMCWYRMSA-N 1 0 251.374 2.105 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccccc1F ZINC000092627409 364091001 /nfs/dbraw/zinc/09/10/01/364091001.db2.gz KJAUPBUYWJOAIQ-GFCCVEGCSA-N 1 0 264.344 2.382 10 0 CEAERO CCOC(=O)c1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)o1 ZINC000093437659 364180346 /nfs/dbraw/zinc/18/03/46/364180346.db2.gz WDOGPPCXVINPIL-STQMWFEESA-N 1 0 292.379 2.125 10 0 CEAERO O=C(Nc1cc(C2CCCCCC2)[nH]n1)[C@H]1CC[NH2+]C1 ZINC000237949484 370761816 /nfs/dbraw/zinc/76/18/16/370761816.db2.gz SJYZZVMXDOJZQH-LBPRGKRZSA-N 1 0 276.384 2.396 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](C(=O)Nc2cccc(Oc3cccnn3)c2)C1 ZINC000237950442 370763122 /nfs/dbraw/zinc/76/31/22/370763122.db2.gz SPWHSELJLBCPFU-VXGBXAGGSA-N 1 0 298.346 2.335 10 0 CEAERO CCC(CC)[C@H](CNCc1cnn(C)c1C)[NH+](C)C ZINC000093649372 364208315 /nfs/dbraw/zinc/20/83/15/364208315.db2.gz QEBYIIQFVYJXMU-HNNXBMFYSA-N 1 0 266.433 2.185 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1CCCC12CC2 ZINC000638794260 370756106 /nfs/dbraw/zinc/75/61/06/370756106.db2.gz CATDTZRKTKNMFA-YNEHKIRRSA-N 1 0 250.386 2.071 10 0 CEAERO CCC[C@@H](C(=O)Nc1ccc2nccnc2c1)[NH+](C)C ZINC000094018070 364246476 /nfs/dbraw/zinc/24/64/76/364246476.db2.gz IELYMXNUVNJPQP-AWEZNQCLSA-N 1 0 272.352 2.299 10 0 CEAERO CCOc1nc2ccccc2nc1NC[C@H]1CCC[NH2+]C1 ZINC000095069719 364330197 /nfs/dbraw/zinc/33/01/97/364330197.db2.gz LWCIDPNKFRTOHM-LBPRGKRZSA-N 1 0 286.379 2.440 10 0 CEAERO Clc1ccc(COCC[C@H]2CCC[NH2+]C2)nn1 ZINC000095070504 364330800 /nfs/dbraw/zinc/33/08/00/364330800.db2.gz DAKSUJFJCNTRLZ-SNVBAGLBSA-N 1 0 255.749 2.036 10 0 CEAERO Clc1nc2ccccc2nc1NC[C@@H]1CC[NH2+]C1 ZINC000095070462 364330809 /nfs/dbraw/zinc/33/08/09/364330809.db2.gz KEKPQTTWYCXIMT-SECBINFHSA-N 1 0 262.744 2.305 10 0 CEAERO CN(Cc1ccc(Br)nc1)C[C@H]1CCCC[NH2+]1 ZINC000095070869 364331150 /nfs/dbraw/zinc/33/11/50/364331150.db2.gz FDSMSGDDSNHSRN-GFCCVEGCSA-N 1 0 298.228 2.418 10 0 CEAERO O=C(COCC[C@H]1CCC[NH2+]C1)c1cccs1 ZINC000095072928 364332379 /nfs/dbraw/zinc/33/23/79/364332379.db2.gz ZAQIINQEUIRWGT-LLVKDONJSA-N 1 0 253.367 2.337 10 0 CEAERO O=S(=O)(C[C@@H]1CCC[NH2+]C1)c1nc2ccccc2s1 ZINC000095073217 364333080 /nfs/dbraw/zinc/33/30/80/364333080.db2.gz AWLITTLCWRNYPW-SNVBAGLBSA-N 1 0 296.417 2.070 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1CCCC[C@@H]1C ZINC000094647847 364286092 /nfs/dbraw/zinc/28/60/92/364286092.db2.gz ILWZCMYZUQEODZ-RFQIPJPRSA-N 1 0 252.402 2.317 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc(F)c(F)c(F)c1F ZINC000335023141 364366425 /nfs/dbraw/zinc/36/64/25/364366425.db2.gz IQTJFSJBYYMCHK-MUWHJKNJSA-N 1 0 290.260 2.113 10 0 CEAERO COc1ccc(Cc2noc([C@H]3CC[C@H]([NH3+])C3)n2)cc1 ZINC000097067998 364439787 /nfs/dbraw/zinc/43/97/87/364439787.db2.gz ZYZTYEVPCQZAFE-RYUDHWBXSA-N 1 0 273.336 2.264 10 0 CEAERO CCC(=O)Nc1ccc(C)c(NC(=O)[C@H]2CC[C@H]([NH3+])C2)c1 ZINC000097093737 364446593 /nfs/dbraw/zinc/44/65/93/364446593.db2.gz FZCIYQXQVOZRJQ-RYUDHWBXSA-N 1 0 289.379 2.409 10 0 CEAERO CCCC(=O)N[C@H]1CCC[N@H+](CCc2ccccn2)C1 ZINC000101565522 364562113 /nfs/dbraw/zinc/56/21/13/364562113.db2.gz JBPHPSWYOUEJIY-HNNXBMFYSA-N 1 0 275.396 2.005 10 0 CEAERO CCCC(=O)N[C@H]1CCC[N@H+](CCCCCOC)C1 ZINC000103227780 364634018 /nfs/dbraw/zinc/63/40/18/364634018.db2.gz MNBUJWZWVRPIKS-AWEZNQCLSA-N 1 0 270.417 2.184 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cc(Cl)ccc1N(C)C ZINC000104228721 364687262 /nfs/dbraw/zinc/68/72/62/364687262.db2.gz MEOIAHZMZYDQPY-MWLCHTKSSA-N 1 0 281.787 2.200 10 0 CEAERO COc1cc(Cl)c(C)cc1NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000104214710 364687407 /nfs/dbraw/zinc/68/74/07/364687407.db2.gz ZVVHTHKSWWRFFM-NXEZZACHSA-N 1 0 282.771 2.451 10 0 CEAERO COC[C@H](C)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000103430713 364652435 /nfs/dbraw/zinc/65/24/35/364652435.db2.gz GFUMIGBPCBDBKQ-KFWWJZLASA-N 1 0 284.444 2.143 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCc2ccsc2C1 ZINC000335439360 364737168 /nfs/dbraw/zinc/73/71/68/364737168.db2.gz MABKFYDWNZBJCN-BXKDBHETSA-N 1 0 252.383 2.006 10 0 CEAERO Cc1cnc(CCN2CC[N@@H+]3CCC[C@H]3C2)c(C)c1 ZINC000335434054 364730342 /nfs/dbraw/zinc/73/03/42/364730342.db2.gz HROYBZZTDQUIIM-HNNXBMFYSA-N 1 0 259.397 2.021 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(SC)o2)C1 ZINC000112293547 364786666 /nfs/dbraw/zinc/78/66/66/364786666.db2.gz UTDBZINFAYUHBJ-SNVBAGLBSA-N 1 0 268.382 2.216 10 0 CEAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccccc1Cl ZINC000112453305 364809566 /nfs/dbraw/zinc/80/95/66/364809566.db2.gz QXSZWEBTMPZUDY-RYUDHWBXSA-N 1 0 268.788 2.321 10 0 CEAERO CCc1nc2n(n1)C[C@H]([NH2+]CCC(C)(C)C)CC2 ZINC000112697881 364830290 /nfs/dbraw/zinc/83/02/90/364830290.db2.gz YPTJODYGUGYWQO-LLVKDONJSA-N 1 0 250.390 2.181 10 0 CEAERO Cc1ccccc1CC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000113226852 364877201 /nfs/dbraw/zinc/87/72/01/364877201.db2.gz KYXAQQKXOIXPRJ-HOCLYGCPSA-N 1 0 272.392 2.233 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1cccc(F)c1 ZINC000113232115 364879388 /nfs/dbraw/zinc/87/93/88/364879388.db2.gz WWCYZZVAUYVWSC-SWLSCSKDSA-N 1 0 276.355 2.063 10 0 CEAERO CCc1nc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cs1 ZINC000113269795 364882546 /nfs/dbraw/zinc/88/25/46/364882546.db2.gz RYWPEQMHVCCZLQ-WCQYABFASA-N 1 0 265.426 2.374 10 0 CEAERO C[C@](O)(C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O)C(F)(F)F ZINC000312676338 291340794 /nfs/dbraw/zinc/34/07/94/291340794.db2.gz JYMJKEAEYWCHGV-RNJOBUHISA-N 1 0 295.345 2.315 10 0 CEAERO C[C@H](CC(=O)N1CC[C@H]([NH+](C)C)C1)c1cccc(F)c1 ZINC000116190125 365042219 /nfs/dbraw/zinc/04/22/19/365042219.db2.gz MYCQPPMOXDNFGZ-DOMZBBRYSA-N 1 0 278.371 2.482 10 0 CEAERO Cn1cc([C@H]2CC[N@H+](Cc3cn4ccccc4n3)C2)cn1 ZINC000116312075 365049858 /nfs/dbraw/zinc/04/98/58/365049858.db2.gz OQMANKMTNMMSAX-ZDUSSCGKSA-N 1 0 281.363 2.057 10 0 CEAERO Cn1cc([C@@H]2CC[N@H+](Cc3ccc(Cl)nc3)C2)cn1 ZINC000116319708 365051946 /nfs/dbraw/zinc/05/19/46/365051946.db2.gz KFVFGRRHGYTFLC-GFCCVEGCSA-N 1 0 276.771 2.458 10 0 CEAERO CCc1ccccc1NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000118794072 365180844 /nfs/dbraw/zinc/18/08/44/365180844.db2.gz VIJKSKJEDAJRIL-CQSZACIVSA-N 1 0 291.395 2.043 10 0 CEAERO C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CCSC(C)(C)CC2)C1 ZINC000336039421 365326896 /nfs/dbraw/zinc/32/68/96/365326896.db2.gz FDCZTMLOHPZKRH-OLZOCXBDSA-N 1 0 299.484 2.396 10 0 CEAERO Cc1csc(C[NH2+]C[C@H]2CCc3nccn3C2)n1 ZINC000275548633 193072671 /nfs/dbraw/zinc/07/26/71/193072671.db2.gz NFXDXPFLRDKIFT-LLVKDONJSA-N 1 0 262.382 2.000 10 0 CEAERO CSc1cc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)ccn1 ZINC000159020571 366870580 /nfs/dbraw/zinc/87/05/80/366870580.db2.gz MGZMMCUYOZMGMN-YPMHNXCESA-N 1 0 293.436 2.262 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H](C)c2cccnc2)C1 ZINC000159098977 366877760 /nfs/dbraw/zinc/87/77/60/366877760.db2.gz QMHUBWIDGIUBJY-IPYPFGDCSA-N 1 0 275.396 2.030 10 0 CEAERO CCC[C@@H](C(=O)NCC1(C2CC2)CCC1)[NH+](C)C ZINC000120309412 365404726 /nfs/dbraw/zinc/40/47/26/365404726.db2.gz VNPFUASUCLYWCJ-ZDUSSCGKSA-N 1 0 252.402 2.413 10 0 CEAERO CCOc1cccc(CN2CC[N@H+](CCOC)[C@H](C)C2)c1 ZINC000120774802 365474459 /nfs/dbraw/zinc/47/44/59/365474459.db2.gz JMOKEYDSNZYFJF-OAHLLOKOSA-N 1 0 292.423 2.238 10 0 CEAERO COCCN1CC[C@@H]([NH2+]C2C3CC4CC(C3)CC2C4)C1 ZINC000340451995 366889553 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CCC[C@H](C(=O)Nc1ccc2oc(=O)ccc2c1)[NH+](C)C ZINC000161696948 367105971 /nfs/dbraw/zinc/10/59/71/367105971.db2.gz DOYXXMUIIGEVFA-CYBMUJFWSA-N 1 0 288.347 2.462 10 0 CEAERO C[C@H]1CN(C(=O)c2ccc3c(c2)CCCC3)C[C@H]1C[NH3+] ZINC000638883866 370818813 /nfs/dbraw/zinc/81/88/13/370818813.db2.gz BUKDBVFLECOZDK-BLLLJJGKSA-N 1 0 272.392 2.232 10 0 CEAERO C[C@H]1CN(C(=O)c2cc3c(s2)CCCC3)C[C@@H]1C[NH3+] ZINC000638885903 370820701 /nfs/dbraw/zinc/82/07/01/370820701.db2.gz OTYOWOWGTLLVPB-JQWIXIFHSA-N 1 0 278.421 2.294 10 0 CEAERO C[C@H]1CN(C(=O)C23CC4CC(CC(C4)C2)C3)C[C@H]1C[NH3+] ZINC000638888316 370821753 /nfs/dbraw/zinc/82/17/53/370821753.db2.gz XKSLWVJMTOQAHO-DVMIWYLISA-N 1 0 276.424 2.256 10 0 CEAERO CC(C)Oc1ccc(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000638887157 370821819 /nfs/dbraw/zinc/82/18/19/370821819.db2.gz UKWYPXGFLMWUID-OCCSQVGLSA-N 1 0 276.380 2.141 10 0 CEAERO C[C@H](Oc1ccccc1Cl)C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638892859 370825059 /nfs/dbraw/zinc/82/50/59/370825059.db2.gz 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CC(C)[C@H](C)CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000172504014 367762277 /nfs/dbraw/zinc/76/22/77/367762277.db2.gz QKOBUXUDDQOXLS-MGPQQGTHSA-N 1 0 267.417 2.157 10 0 CEAERO CCCCSCCC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000172542532 367772508 /nfs/dbraw/zinc/77/25/08/367772508.db2.gz KXOZPXLXDZRGMN-ZDUSSCGKSA-N 1 0 270.442 2.216 10 0 CEAERO Cn1cc([C@@H]2CCC[N@@H+]2C[C@@H](O)Cc2ccccc2)cn1 ZINC000245877489 370882720 /nfs/dbraw/zinc/88/27/20/370882720.db2.gz ZCNLPTGCWNZWPX-IRXDYDNUSA-N 1 0 285.391 2.161 10 0 CEAERO CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)NCC2CC2)C12CCCC2 ZINC000172670699 367797591 /nfs/dbraw/zinc/79/75/91/367797591.db2.gz SIRDHSXFGCTZDN-CABCVRRESA-N 1 0 294.439 2.182 10 0 CEAERO COC[C@@H](O)C[N@@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000172996116 367856838 /nfs/dbraw/zinc/85/68/38/367856838.db2.gz BIIOXQDXRYQMTD-STQMWFEESA-N 1 0 298.452 2.453 10 0 CEAERO C[C@@H]1CC[C@H](C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)O1 ZINC000245960018 370894902 /nfs/dbraw/zinc/89/49/02/370894902.db2.gz COFWFKDNMVTTJY-QLFBSQMISA-N 1 0 280.412 2.031 10 0 CEAERO CC[C@@H]1CN(Cc2cccc(Cl)n2)CC[N@@H+]1CCOC ZINC000173680394 367932206 /nfs/dbraw/zinc/93/22/06/367932206.db2.gz HHVOWLMLUCSABP-CQSZACIVSA-N 1 0 297.830 2.278 10 0 CEAERO CCn1c(C)nnc1CN(C)CCc1cccs1 ZINC000174153822 367990132 /nfs/dbraw/zinc/99/01/32/367990132.db2.gz NGSIPPXJURVXTN-UHFFFAOYSA-N 1 0 264.398 2.342 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2c(F)cc(F)cc2F)C1 ZINC000173906373 367957469 /nfs/dbraw/zinc/95/74/69/367957469.db2.gz UEYMUCMCCSAWRR-SECBINFHSA-N 1 0 287.285 2.272 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000175397638 368133553 /nfs/dbraw/zinc/13/35/53/368133553.db2.gz VFSVXVJFJWRLCQ-AWEZNQCLSA-N 1 0 296.436 2.100 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@H]1CC=CCC1 ZINC000176380383 368232881 /nfs/dbraw/zinc/23/28/81/368232881.db2.gz QVRXNZGTXLOZHB-KBPBESRZSA-N 1 0 265.401 2.221 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)CSc1ccc(Cl)cc1 ZINC000335501340 212181160 /nfs/dbraw/zinc/18/11/60/212181160.db2.gz RHGRFNDFJLZEFK-BXKDBHETSA-N 1 0 284.812 2.380 10 0 CEAERO CCC[C@@H](C(=O)N(C)Cc1cnc(C)s1)[NH+](C)C ZINC000179548082 368341079 /nfs/dbraw/zinc/34/10/79/368341079.db2.gz LEVXPOZSQRGZBK-LBPRGKRZSA-N 1 0 269.414 2.140 10 0 CEAERO C[C@@H]1CCN(C(=O)[C@H]2CC[NH2+]C2)[C@@H]2CCCC[C@H]12 ZINC000572637869 299385617 /nfs/dbraw/zinc/38/56/17/299385617.db2.gz AAAYRJYPLUCUGA-XJFOESAGSA-N 1 0 250.386 2.023 10 0 CEAERO CC[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc2c(c1)CCO2 ZINC000180583269 368387217 /nfs/dbraw/zinc/38/72/17/368387217.db2.gz CQSWPAZMWFJRRX-LSDHHAIUSA-N 1 0 298.390 2.269 10 0 CEAERO C[C@H]1CN(C(=O)c2cc(F)c(F)cc2Cl)C[C@H]1[NH3+] ZINC000335482575 212156390 /nfs/dbraw/zinc/15/63/90/212156390.db2.gz DOTJURYGBKFKMG-UPONEAKYSA-N 1 0 274.698 2.037 10 0 CEAERO C[C@@H](Cc1ccccc1)CN1CCO[C@H](C[NH+](C)C)C1 ZINC000182026383 368516420 /nfs/dbraw/zinc/51/64/20/368516420.db2.gz QKQGWDPRNOVQRK-DOTOQJQBSA-N 1 0 276.424 2.128 10 0 CEAERO C[C@H]1CN(C(=O)CSc2ccc(Cl)cc2)C[C@H]1[NH3+] ZINC000335482639 212157294 /nfs/dbraw/zinc/15/72/94/212157294.db2.gz GZUXEBBRKPFJTG-JOYOIKCWSA-N 1 0 284.812 2.238 10 0 CEAERO CCC(CC)[NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182350170 368556133 /nfs/dbraw/zinc/55/61/33/368556133.db2.gz OKAAMJKGFHNAGY-CYBMUJFWSA-N 1 0 278.400 2.002 10 0 CEAERO CC[C@H](O)CN1CC[NH+](C[C@@H]2CCCC[C@@H]2C)CC1 ZINC000183062272 368609072 /nfs/dbraw/zinc/60/90/72/368609072.db2.gz HPAXNGFARITOPS-JYJNAYRXSA-N 1 0 268.445 2.201 10 0 CEAERO C[C@@H](c1cnccn1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000184495841 368699321 /nfs/dbraw/zinc/69/93/21/368699321.db2.gz NONYSDIRIQOLCI-NSHDSACASA-N 1 0 257.341 2.140 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)Nc2ccncc2F)[C@@H](C)C1 ZINC000184180007 368677112 /nfs/dbraw/zinc/67/71/12/368677112.db2.gz FYQNGAGCIAKRPV-GWCFXTLKSA-N 1 0 280.347 2.071 10 0 CEAERO CC(=O)NC[C@@H]1C[N@H+](CC[C@H]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000246243894 370934503 /nfs/dbraw/zinc/93/45/03/370934503.db2.gz 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C[NH2+]C[C@H]1CCCN(c2nccc(C(C)(C)C)n2)C1 ZINC000261596396 371668812 /nfs/dbraw/zinc/66/88/12/371668812.db2.gz OOVDNIJSRSGHJQ-GFCCVEGCSA-N 1 0 262.401 2.210 10 0 CEAERO Cc1cc([C@@H]2CCC[N@H+](Cc3cnc(N)s3)C2)[nH]n1 ZINC000261609371 371676926 /nfs/dbraw/zinc/67/69/26/371676926.db2.gz FIPGLYRNCPVJLH-SNVBAGLBSA-N 1 0 277.397 2.136 10 0 CEAERO COc1ccc(Br)cc1CN1C[C@H](C)[C@H]([NH3+])C1 ZINC000261541936 371639635 /nfs/dbraw/zinc/63/96/35/371639635.db2.gz MSUGLPOCCZBNPC-JOYOIKCWSA-N 1 0 299.212 2.237 10 0 CEAERO C[C@H]1CN(Cc2cc(Cl)cc3c2OCC3)C[C@H]1[NH3+] ZINC000261549805 371643557 /nfs/dbraw/zinc/64/35/57/371643557.db2.gz KTOPMVMCCIKRAP-TVQRCGJNSA-N 1 0 266.772 2.054 10 0 CEAERO CC[NH2+]CC1CCN(c2nc([C@@H](C)OC)ns2)CC1 ZINC000261565312 371650474 /nfs/dbraw/zinc/65/04/74/371650474.db2.gz FGKBNXYYSLCBMB-SNVBAGLBSA-N 1 0 284.429 2.071 10 0 CEAERO [NH3+][C@@H]1CC[C@H]2CN(c3ccncc3Br)C[C@@H]12 ZINC000261566413 371652579 /nfs/dbraw/zinc/65/25/79/371652579.db2.gz DMZLJCJLFLCEIT-IQJOONFLSA-N 1 0 282.185 2.018 10 0 CEAERO CO[C@@H](C)c1nsc(NCC2([NH3+])CCCCC2)n1 ZINC000261583734 371662188 /nfs/dbraw/zinc/66/21/88/371662188.db2.gz RWYVVAVPRIGAOG-VIFPVBQESA-N 1 0 270.402 2.319 10 0 CEAERO C[C@]1(C[NH3+])CCN(C(=O)[C@H]2C[C@@H]2C2CCCCC2)C1 ZINC000261750574 371719840 /nfs/dbraw/zinc/71/98/40/371719840.db2.gz DUMYTIRBXZQAJG-IJEWVQPXSA-N 1 0 264.413 2.400 10 0 CEAERO [NH3+]C[C@H]1CCCN1Cc1nc2ccc(F)cc2s1 ZINC000261811382 371740602 /nfs/dbraw/zinc/74/06/02/371740602.db2.gz HSPOUSVORAFTQW-SNVBAGLBSA-N 1 0 265.357 2.359 10 0 CEAERO [NH3+]C[C@@H]1CCCN1Cc1nc2ccc(F)cc2s1 ZINC000261811380 371740644 /nfs/dbraw/zinc/74/06/44/371740644.db2.gz HSPOUSVORAFTQW-JTQLQIEISA-N 1 0 265.357 2.359 10 0 CEAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Nc3ccc(F)cc3F)C[C@H]12 ZINC000261861771 371753205 /nfs/dbraw/zinc/75/32/05/371753205.db2.gz XXTBNLSYSCPBQO-PTOFAABTSA-N 1 0 281.306 2.166 10 0 CEAERO COc1cccc(N[C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261862738 371754348 /nfs/dbraw/zinc/75/43/48/371754348.db2.gz 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COCCC1(C(=O)N(C)C2CCCCC2)CC[NH2+]CC1 ZINC000643614260 373220971 /nfs/dbraw/zinc/22/09/71/373220971.db2.gz PLCGPDWMGLACEH-UHFFFAOYSA-N 1 0 282.428 2.184 10 0 CEAERO COC[C@]1(C(=O)Nc2ccc(C)cc2Cl)CCC[NH2+]1 ZINC000643615326 373222415 /nfs/dbraw/zinc/22/24/15/373222415.db2.gz HCPZLMWTHAQQFS-AWEZNQCLSA-N 1 0 282.771 2.356 10 0 CEAERO COC[C@]1(C(=O)Nc2cc(C)cc(C)c2)CCC[NH2+]1 ZINC000643615319 373222966 /nfs/dbraw/zinc/22/29/66/373222966.db2.gz GXSHFSBLVYILLW-HNNXBMFYSA-N 1 0 262.353 2.011 10 0 CEAERO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643634966 373226823 /nfs/dbraw/zinc/22/68/23/373226823.db2.gz PIUUSJNMULVWBH-WCQYABFASA-N 1 0 296.798 2.095 10 0 CEAERO COCCC1(C(=O)NCC2(C)CCCC2)CC[NH2+]CC1 ZINC000643689244 373236743 /nfs/dbraw/zinc/23/67/43/373236743.db2.gz ZDDPNZVUNBLMHN-UHFFFAOYSA-N 1 0 282.428 2.089 10 0 CEAERO COC[C@@]1(C(=O)N2CCC[C@H](C(C)C)CC2)CCC[NH2+]1 ZINC000643699364 373238483 /nfs/dbraw/zinc/23/84/83/373238483.db2.gz OERKZPGYLLQANM-GOEBONIOSA-N 1 0 282.428 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VQOOGZDJFFCWGR-VIFPVBQESA-N 1 0 254.296 2.161 10 0 CEAERO CCS(=O)(=O)c1ccc(N[C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000382453502 321840054 /nfs/dbraw/zinc/84/00/54/321840054.db2.gz OUOFILYDNZELKF-DGCLKSJQSA-N 1 0 282.409 2.020 10 0 CEAERO Cc1cc(C)n(CC[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)n1 ZINC000334213549 206200592 /nfs/dbraw/zinc/20/05/92/206200592.db2.gz DJSIWKBTKHYUTI-HZPDHXFCSA-N 1 0 277.412 2.127 10 0 CEAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1c(Br)cnn1C ZINC000278344128 374786939 /nfs/dbraw/zinc/78/69/39/374786939.db2.gz HDOGECBIDYFIJJ-PSASIEDQSA-N 1 0 272.190 2.461 10 0 CEAERO Cn1ncc2c1CCC[C@H]2[NH2+][C@@H](CO)C1CCCCC1 ZINC000386290219 375256068 /nfs/dbraw/zinc/25/60/68/375256068.db2.gz SRSKKNMZUWEMCT-CABCVRRESA-N 1 0 277.412 2.328 10 0 CEAERO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](CO)C1CCCCC1 ZINC000386092748 375253526 /nfs/dbraw/zinc/25/35/26/375253526.db2.gz GJUCWTSXGUCKPI-NHYWBVRUSA-N 1 0 265.401 2.320 10 0 CEAERO CC[N@@H+]1CC[C@@H](N[C@H](C)c2nc3ccccc3n2C)C1 ZINC000389268508 375300887 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CCOc1ccc([C@H](C)[NH2+][C@H]2CCC(=O)N[C@H]2C)cc1 ZINC000282475363 375494566 /nfs/dbraw/zinc/49/45/66/375494566.db2.gz WQTSOSLSTWJBPA-HUBLWGQQSA-N 1 0 276.380 2.403 10 0 CEAERO O[C@H](c1cc(Br)c(Cl)s1)C1C[NH2+]C1 ZINC000307305147 376563548 /nfs/dbraw/zinc/56/35/48/376563548.db2.gz HZASBBUXGRSYTK-ZETCQYMHSA-N 1 0 282.590 2.417 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)CCCc1cccs1 ZINC000310064279 376613001 /nfs/dbraw/zinc/61/30/01/376613001.db2.gz AQSUKCMCZNSSAE-CMPLNLGQSA-N 1 0 252.383 2.019 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CCn1cc(Cl)cn1 ZINC000311397168 376666288 /nfs/dbraw/zinc/66/62/88/376666288.db2.gz PQFFQYXATPLERL-KBPBESRZSA-N 1 0 282.819 2.095 10 0 CEAERO CC(C)(C)C(=O)N1CC[C@@H](c2ccccc2)[C@@H]([NH3+])C1 ZINC000616568406 542153922 /nfs/dbraw/zinc/15/39/22/542153922.db2.gz BGSDXWJDYIRNAV-KBPBESRZSA-N 1 0 260.381 2.376 10 0 CEAERO CSCc1cnc(C[NH2+][C@H]2CCO[C@@H]2C)s1 ZINC000293146219 377446256 /nfs/dbraw/zinc/44/62/56/377446256.db2.gz DIECQSRIXJGJMY-SCZZXKLOSA-N 1 0 258.412 2.273 10 0 CEAERO CC(C)c1ccccc1OCC(=O)N1CCC[C@H]1C[NH3+] ZINC000564945934 377512808 /nfs/dbraw/zinc/51/28/08/377512808.db2.gz OWESTNNFAFNZSR-ZDUSSCGKSA-N 1 0 276.380 2.139 10 0 CEAERO C[C@H](CC[NH2+]Cc1cccn1C)NC(=O)OC(C)(C)C ZINC000172629671 249324178 /nfs/dbraw/zinc/32/41/78/249324178.db2.gz PIVHOBFLGYLUSO-GFCCVEGCSA-N 1 0 281.400 2.418 10 0 CEAERO c1nc2n(n1)CCC[C@H]2[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000333729946 377839942 /nfs/dbraw/zinc/83/99/42/377839942.db2.gz KWIWQTFOXOGHPU-UKRRQHHQSA-N 1 0 283.379 2.045 10 0 CEAERO C[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1C[C@H](O)CC1CCCC1 ZINC000300147599 379155052 /nfs/dbraw/zinc/15/50/52/379155052.db2.gz DWODEYWWRNKPND-DJIMGWMZSA-N 1 0 280.456 2.486 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+]CC2(CCOC)CC2)C12CCOCC2 ZINC000186424124 183639229 /nfs/dbraw/zinc/63/92/29/183639229.db2.gz UMWLOKIBAJRVNC-CABCVRRESA-N 1 0 297.439 2.367 10 0 CEAERO CC(C)([NH3+])c1cn(Cc2sccc2Cl)nn1 ZINC000304627553 379586831 /nfs/dbraw/zinc/58/68/31/379586831.db2.gz YNSVRTDGIHCBFQ-UHFFFAOYSA-N 1 0 256.762 2.235 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)/C=C\c1cccc(O)c1 ZINC000492410230 380543669 /nfs/dbraw/zinc/54/36/69/380543669.db2.gz QTIQZGGXGVRIJL-CEKUCVKPSA-N 1 0 286.375 2.101 10 0 CEAERO O=C(/C=C\c1cccc(O)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000492485782 380574367 /nfs/dbraw/zinc/57/43/67/380574367.db2.gz DTARSGWWAMCZBC-ZPIQOJFGSA-N 1 0 286.375 2.102 10 0 CEAERO C[C@H]1C[C@H](O)C[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000334745993 207004835 /nfs/dbraw/zinc/00/48/35/207004835.db2.gz MPQAZLFHWUGFLI-BBRMVZONSA-N 1 0 271.364 2.075 10 0 CEAERO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(c2nccs2)CC1 ZINC000334593063 380649809 /nfs/dbraw/zinc/64/98/09/380649809.db2.gz NLYXVQPJKXSEJN-STQMWFEESA-N 1 0 293.436 2.237 10 0 CEAERO CC(C)Cc1ccc([C@H](O)C[NH2+]C(C)(C)CO)cc1 ZINC000037888273 184542409 /nfs/dbraw/zinc/54/24/09/184542409.db2.gz KCVCTECWQWEYCF-OAHLLOKOSA-N 1 0 265.397 2.279 10 0 CEAERO C[NH2+][C@H](C)c1ccc(SC[C@H](O)COC)cc1 ZINC000079580092 184593946 /nfs/dbraw/zinc/59/39/46/184593946.db2.gz CFBIHVQDCJQMOC-ZYHUDNBSSA-N 1 0 255.383 2.066 10 0 CEAERO CCC[NH2+][C@@](C)(CO)C[C@H](C)N(C)CC(F)(F)F ZINC000085241197 184609010 /nfs/dbraw/zinc/60/90/10/184609010.db2.gz UDDMSFLTTKYTCX-WDEREUQCSA-N 1 0 270.339 2.010 10 0 CEAERO CC[C@@H]([NH3+])CNc1ncc(Br)cc1C ZINC000086708557 184609687 /nfs/dbraw/zinc/60/96/87/184609687.db2.gz SRYKLTPLAYBPRR-SECBINFHSA-N 1 0 258.163 2.302 10 0 CEAERO CC[C@@](C)(C[NH3+])O[C@H](C)C(=O)Nc1ccccc1 ZINC000086710016 184609854 /nfs/dbraw/zinc/60/98/54/184609854.db2.gz JWOSMKGGRUWHGL-RISCZKNCSA-N 1 0 250.342 2.158 10 0 CEAERO CC(C)[C@H](C)NC(=O)COC1(C[NH3+])CCC(C)(C)CC1 ZINC000086711805 184610314 /nfs/dbraw/zinc/61/03/14/184610314.db2.gz ODQDZSWUJJOSHI-ZDUSSCGKSA-N 1 0 284.444 2.461 10 0 CEAERO CCN(CC)S(=O)(=O)c1cc(C[NH2+]C)cc(C)c1C ZINC000088906367 184613628 /nfs/dbraw/zinc/61/36/28/184613628.db2.gz YJFGOJFIHJULTO-UHFFFAOYSA-N 1 0 284.425 2.053 10 0 CEAERO CC[NH+](CC)Cc1cccc(NC(=O)OCCO)c1 ZINC000092746418 184625115 /nfs/dbraw/zinc/62/51/15/184625115.db2.gz HEGBDTSRBXMZPV-UHFFFAOYSA-N 1 0 266.341 2.069 10 0 CEAERO C[NH2+]C[C@H]1CCO[C@H]1c1c(OC)cc(OC)cc1OC ZINC000092862994 184633206 /nfs/dbraw/zinc/63/32/06/184633206.db2.gz AWRUIZRSGKDKDK-MEBBXXQBSA-N 1 0 281.352 2.009 10 0 CEAERO COCC[NH2+]C[C@H]1CCCO[C@@H]1c1ccsc1 ZINC000092888505 184633473 /nfs/dbraw/zinc/63/34/73/184633473.db2.gz OYTDGGXJSVOCFP-YPMHNXCESA-N 1 0 255.383 2.452 10 0 CEAERO COCC[NH2+]C[C@@H]1CCCO[C@@H]1c1cccs1 ZINC000092888492 184633553 /nfs/dbraw/zinc/63/35/53/184633553.db2.gz YFHUCLSWLRMTGH-AAEUAGOBSA-N 1 0 255.383 2.452 10 0 CEAERO COCC[NH2+]C[C@@H]1CCO[C@@H]1c1ccc(COC)cc1 ZINC000092882467 184633824 /nfs/dbraw/zinc/63/38/24/184633824.db2.gz MCGXMKLVUGMBLS-JKSUJKDBSA-N 1 0 279.380 2.147 10 0 CEAERO CS(=O)(=O)CCC[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000093151267 184651897 /nfs/dbraw/zinc/65/18/97/184651897.db2.gz VPKBIQVBXRZJDT-LLVKDONJSA-N 1 0 275.801 2.207 10 0 CEAERO C[NH2+]C[C@H](CCOCCOC)c1cccc(F)c1 ZINC000093164814 184652943 /nfs/dbraw/zinc/65/29/43/184652943.db2.gz PDFUPHWMFNRZTL-ZDUSSCGKSA-N 1 0 255.333 2.182 10 0 CEAERO O=S1(=O)CC[C@H]([C@@H](C[NH2+]C2CC2)c2cccc(F)c2)C1 ZINC000093164564 184652989 /nfs/dbraw/zinc/65/29/89/184652989.db2.gz SUWCMJLLHSAHQN-WFASDCNBSA-N 1 0 297.395 2.096 10 0 CEAERO CC[C@@H](C)CN(CC)S(=O)(=O)[C@@H](C)C[NH2+]C(C)C ZINC000093265902 184659180 /nfs/dbraw/zinc/65/91/80/184659180.db2.gz YDJWZFFZZSRFNJ-OLZOCXBDSA-N 1 0 278.462 2.071 10 0 CEAERO O=C(c1coc(Br)c1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000335063880 207572472 /nfs/dbraw/zinc/57/24/72/207572472.db2.gz XOUOGTAVPIDDHD-LBPRGKRZSA-N 1 0 299.168 2.010 10 0 CEAERO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCCO[C@@H]2C)C1 ZINC000189970460 296386220 /nfs/dbraw/zinc/38/62/20/296386220.db2.gz YZLZZQXBAOGPHN-RBSFLKMASA-N 1 0 296.455 2.428 10 0 CEAERO COC[C@@H](C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000103428394 285199739 /nfs/dbraw/zinc/19/97/39/285199739.db2.gz DEUVYHNGZTVMCP-OLZOCXBDSA-N 1 0 296.436 2.284 10 0 CEAERO COC(=O)[C@H](CC(C)C)N[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093515107 184686087 /nfs/dbraw/zinc/68/60/87/184686087.db2.gz SACZPALFOQGFSI-KKUMJFAQSA-N 1 0 284.444 2.475 10 0 CEAERO CCOc1ccccc1[C@]1(C)CNC(=[NH2+])N1C1CC1 ZINC000093373653 184667896 /nfs/dbraw/zinc/66/78/96/184667896.db2.gz LBDWWKQYEGQGAY-HNNXBMFYSA-N 1 0 259.353 2.093 10 0 CEAERO CC[C@@]1(COC)C[NH+]=C(N)N1c1cccc(Cl)c1 ZINC000093378820 184668972 /nfs/dbraw/zinc/66/89/72/184668972.db2.gz BZKABHMVODZVEO-ZDUSSCGKSA-N 1 0 267.760 2.270 10 0 CEAERO CCOc1cc([C@@H]2CNC(=[NH2+])N2C2CCCC2)ccc1O ZINC000093391580 184670269 /nfs/dbraw/zinc/67/02/69/184670269.db2.gz SOBFXGBGPPHFBK-ZDUSSCGKSA-N 1 0 289.379 2.405 10 0 CEAERO COc1ccc2c(c1)CCC[C@]21CNC(=[NH2+])N1CC1CC1 ZINC000093393999 184670785 /nfs/dbraw/zinc/67/07/85/184670785.db2.gz GTMUWSHBOMZBBZ-KRWDZBQOSA-N 1 0 285.391 2.267 10 0 CEAERO CC[NH2+][C@H](C)[C@@H](C)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000081954491 177907444 /nfs/dbraw/zinc/90/74/44/177907444.db2.gz ZPXNQXWGZJZOEZ-CHWSQXEVSA-N 1 0 269.410 2.464 10 0 CEAERO CC[NH2+][C@@H](CC)[C@@H](C)S(=O)(=O)c1ccc(OC)cc1 ZINC000081923275 177896531 /nfs/dbraw/zinc/89/65/31/177896531.db2.gz RXOGJBSAXOXHRN-RISCZKNCSA-N 1 0 285.409 2.246 10 0 CEAERO C[NH2+][C@H]1CCC[C@H]1Sc1ccc(S(C)(=O)=O)cc1 ZINC000081892327 177879884 /nfs/dbraw/zinc/87/98/84/177879884.db2.gz AUBFEYCQTMHOKM-QWHCGFSZSA-N 1 0 285.434 2.323 10 0 CEAERO CCCn1c(=O)[nH]nc1S[C@H]1C[C@H](C)CC[C@@H]1[NH2+]CC ZINC000081879323 177872858 /nfs/dbraw/zinc/87/28/58/177872858.db2.gz BWTTZDQUIUEEEF-WOPDTQHZSA-N 1 0 298.456 2.240 10 0 CEAERO COCCSC[C@@H]([NH3+])c1cc(C)ccc1OC ZINC000081779676 177858980 /nfs/dbraw/zinc/85/89/80/177858980.db2.gz NMIACAGWPSYBJQ-GFCCVEGCSA-N 1 0 255.383 2.383 10 0 CEAERO CCC[NH2+][C@H](CCC)[C@@H](CC)Sc1nnnn1C ZINC000081843800 177866059 /nfs/dbraw/zinc/86/60/59/177866059.db2.gz FIWWLJWANALDJR-GHMZBOCLSA-N 1 0 271.434 2.249 10 0 CEAERO O=C(CC1C[NH2+]C1)N1CCC(c2ccccc2)CC1 ZINC000081749958 177854218 /nfs/dbraw/zinc/85/42/18/177854218.db2.gz CVHXYOHNTFWNBG-UHFFFAOYSA-N 1 0 258.365 2.002 10 0 CEAERO COc1cc(Cl)c(C)cc1NC(=O)CC1C[NH2+]C1 ZINC000081745503 177851142 /nfs/dbraw/zinc/85/11/42/177851142.db2.gz NHBFQXVXSOLLHM-UHFFFAOYSA-N 1 0 268.744 2.205 10 0 CEAERO Cc1noc([C@@H]2COC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000248023172 256692543 /nfs/dbraw/zinc/69/25/43/256692543.db2.gz MVHZTYXPJCDRDM-HRCADAONSA-N 1 0 299.374 2.240 10 0 CEAERO C[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H]1CCCCC[NH2+]1 ZINC000081018575 177756425 /nfs/dbraw/zinc/75/64/25/177756425.db2.gz TYTXFGOIPSFDGM-SWLSCSKDSA-N 1 0 278.371 2.405 10 0 CEAERO NC(=O)c1ccc(OCC2([NH3+])CCCCCC2)cc1 ZINC000080901575 177725441 /nfs/dbraw/zinc/72/54/41/177725441.db2.gz CEOWPQJDYDDWPK-UHFFFAOYSA-N 1 0 262.353 2.216 10 0 CEAERO CCc1noc(COCC2([NH3+])CCCCCC2)n1 ZINC000080900282 177725022 /nfs/dbraw/zinc/72/50/22/177725022.db2.gz VDYDELFWNWFAAN-UHFFFAOYSA-N 1 0 253.346 2.200 10 0 CEAERO COCCCSC[C@@H](C(N)=[NH2+])c1ccccc1 ZINC000080795695 177708126 /nfs/dbraw/zinc/70/81/26/177708126.db2.gz WPMFFLLBTVTMSK-GFCCVEGCSA-N 1 0 252.383 2.476 10 0 CEAERO CCO[C@@H](C)c1noc(C2(CC)CC[NH2+]CC2)n1 ZINC000080741870 177697310 /nfs/dbraw/zinc/69/73/10/177697310.db2.gz MFILBHLQHXTEEG-JTQLQIEISA-N 1 0 253.346 2.198 10 0 CEAERO CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000080426405 177651232 /nfs/dbraw/zinc/65/12/32/177651232.db2.gz SWDIYTQCIONFEY-YPMHNXCESA-N 1 0 282.409 2.002 10 0 CEAERO [NH3+]CCc1c(N(CC2CC2)C2CC2)nc2ccccn21 ZINC000080383428 177648665 /nfs/dbraw/zinc/64/86/65/177648665.db2.gz AKUINJGHPUHMHB-UHFFFAOYSA-N 1 0 270.380 2.214 10 0 CEAERO Cc1ccc(C[C@H](C)[NH2+]CCCS(C)(=O)=O)s1 ZINC000080245334 177630707 /nfs/dbraw/zinc/63/07/07/177630707.db2.gz CIUFPOZRMDONPH-JTQLQIEISA-N 1 0 275.439 2.012 10 0 CEAERO CCCN[C@]1(C(=O)OCC)CC[C@H]([NH+](CC)CC)C1 ZINC000093823030 184726153 /nfs/dbraw/zinc/72/61/53/184726153.db2.gz MQGWRUZXUBLDIO-DZGCQCFKSA-N 1 0 270.417 2.182 10 0 CEAERO C[NH2+][C@H]1CCC[C@@H]1CCn1c2ccccc2nc(C)c1=O ZINC000093557262 184691071 /nfs/dbraw/zinc/69/10/71/184691071.db2.gz MKHSAHSHBQHUTP-KGLIPLIRSA-N 1 0 285.391 2.483 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1CCn1cc(C(F)(F)F)ccc1=O ZINC000093557539 184691115 /nfs/dbraw/zinc/69/11/15/184691115.db2.gz UOUIYTQHNJGZEX-ONGXEEELSA-N 1 0 274.286 2.385 10 0 CEAERO CCC[NH2+][C@H]1CCC[C@@H]1CCn1cnc(C)cc1=O ZINC000093556980 184691212 /nfs/dbraw/zinc/69/12/12/184691212.db2.gz KEQSDJLFCOKPON-KGLIPLIRSA-N 1 0 263.385 2.110 10 0 CEAERO CCC[NH2+][C@H]1CCC[C@@H]1CCSCCS(C)(=O)=O ZINC000093577798 184691948 /nfs/dbraw/zinc/69/19/48/184691948.db2.gz KDGIAEOZTSXKRZ-OLZOCXBDSA-N 1 0 293.498 2.323 10 0 CEAERO Cc1ccn(CC[C@@H]2CCC[C@@]2(CO)[NH2+]C(C)C)n1 ZINC000093619077 184696507 /nfs/dbraw/zinc/69/65/07/184696507.db2.gz CYHGDJDKFIMWTF-GJZGRUSLSA-N 1 0 265.401 2.111 10 0 CEAERO Cn1cc(SCC[C@@H]2CCC[C@]2(CO)[NH2+]C2CC2)cn1 ZINC000093623245 184697614 /nfs/dbraw/zinc/69/76/14/184697614.db2.gz LHKVUZIQEWKVDJ-SWLSCSKDSA-N 1 0 295.452 2.186 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1CCS(=O)(=O)C1CCCCC1 ZINC000093623738 184697697 /nfs/dbraw/zinc/69/76/97/184697697.db2.gz IXRWNIIATCOLAJ-DGCLKSJQSA-N 1 0 259.415 2.251 10 0 CEAERO C[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCOc1cccc(C)c1C ZINC000093624388 184697857 /nfs/dbraw/zinc/69/78/57/184697857.db2.gz HHHXEIHAPILPJG-RHSMWYFYSA-N 1 0 290.407 2.316 10 0 CEAERO C[NH2+][C@H]1CCC[C@@H]1CCS(=O)(=O)c1ccc(OC)cc1 ZINC000093622992 184697864 /nfs/dbraw/zinc/69/78/64/184697864.db2.gz ZLMPQZJVMPRDQC-DOMZBBRYSA-N 1 0 297.420 2.247 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1CCS(=O)(=O)c1ccccc1F ZINC000093622960 184697904 /nfs/dbraw/zinc/69/79/04/184697904.db2.gz RDWAGJSRUHTQJD-PWSUYJOCSA-N 1 0 271.357 2.117 10 0 CEAERO [NH3+]C[C@@]1(O)CCC[C@@H]1CCOc1ccccc1F ZINC000093628006 184698726 /nfs/dbraw/zinc/69/87/26/184698726.db2.gz WELORVPROIWCTK-RISCZKNCSA-N 1 0 253.317 2.085 10 0 CEAERO Cc1c([C@@H]2[C@@H](C[NH2+]C(C)C)CCCCN2C)cnn1C ZINC000093652606 184702600 /nfs/dbraw/zinc/70/26/00/184702600.db2.gz RHZWXAZCHFFKEF-ZBFHGGJFSA-N 1 0 278.444 2.500 10 0 CEAERO CO[C@@H](C)c1nc(C)c(CCC[NH2+]C2CC2)c(C)n1 ZINC000093692878 184707642 /nfs/dbraw/zinc/70/76/42/184707642.db2.gz JOERGIVMUMJHKP-LBPRGKRZSA-N 1 0 263.385 2.485 10 0 CEAERO CN[C@]1(C(=O)OC)CCC[C@@H]([NH+]2CCCCCCC2)C1 ZINC000093748134 184712877 /nfs/dbraw/zinc/71/28/77/184712877.db2.gz PRSZYRQUZSBFIY-GDBMZVCRSA-N 1 0 282.428 2.326 10 0 CEAERO O=C([O-])[C@]1([NH2+]C2CC2)CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000093748892 184712995 /nfs/dbraw/zinc/71/29/95/184712995.db2.gz KNTHYCSWXWZVGR-ZBFHGGJFSA-N 1 0 280.412 2.380 10 0 CEAERO CC[NH2+][C@]1(CO)CCC[C@H](SCCCOC)C1 ZINC000093786301 184721998 /nfs/dbraw/zinc/72/19/98/184721998.db2.gz AEZUNCBLXXDNIL-QWHCGFSZSA-N 1 0 261.431 2.039 10 0 CEAERO CC(C)[NH2+][C@@]1(CO)CCC[C@H](Sc2nccn2C)C1 ZINC000093787290 184722492 /nfs/dbraw/zinc/72/24/92/184722492.db2.gz CINHHUGGWCELDV-JSGCOSHPSA-N 1 0 283.441 2.184 10 0 CEAERO CC[NH2+][C@H](CCC1CC1)[C@H]1CN(C(C)C)CCO1 ZINC000093927926 184744631 /nfs/dbraw/zinc/74/46/31/184744631.db2.gz DHZMAPCOAXCMQS-HUUCEWRRSA-N 1 0 254.418 2.264 10 0 CEAERO c1cnc(N2CCCC2)c(NCC2CC[NH2+]CC2)c1 ZINC000094009740 184749532 /nfs/dbraw/zinc/74/95/32/184749532.db2.gz YPCCJYSTNWLJIF-UHFFFAOYSA-N 1 0 260.385 2.093 10 0 CEAERO COCCOc1cccc(NCC2CC[NH2+]CC2)c1 ZINC000094010265 184749652 /nfs/dbraw/zinc/74/96/52/184749652.db2.gz FDCRHCQGBIXYNS-UHFFFAOYSA-N 1 0 264.369 2.123 10 0 CEAERO CN(CC1CC[NH2+]CC1)C(=O)c1c[nH]c2ccccc12 ZINC000094021845 184750546 /nfs/dbraw/zinc/75/05/46/184750546.db2.gz DAEWADPCIKNTAI-UHFFFAOYSA-N 1 0 271.364 2.240 10 0 CEAERO CCOC(=O)c1ccc(N(CC)CC2CC[NH2+]CC2)nc1 ZINC000094043546 184751985 /nfs/dbraw/zinc/75/19/85/184751985.db2.gz URSCCRCPEWUXTF-UHFFFAOYSA-N 1 0 291.395 2.084 10 0 CEAERO CC(C)N(CC1CC[NH2+]CC1)c1ccc(C(N)=O)cc1F ZINC000094044313 184752222 /nfs/dbraw/zinc/75/22/22/184752222.db2.gz NWVZDWQAHOHNJL-UHFFFAOYSA-N 1 0 293.386 2.139 10 0 CEAERO CCN(CC)C(=O)[C@H](C)[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000094080688 184753892 /nfs/dbraw/zinc/75/38/92/184753892.db2.gz JYWZOYOZIKOSLO-NHYWBVRUSA-N 1 0 275.396 2.103 10 0 CEAERO Nc1ccc2c(c1)CC[C@H]2[NH2+]CCc1ccncc1 ZINC000094086419 184754434 /nfs/dbraw/zinc/75/44/34/184754434.db2.gz HOTBPXXXNJKCHY-MRXNPFEDSA-N 1 0 253.349 2.483 10 0 CEAERO Nc1ccc2c(c1)CC[C@@H]2[NH2+]CCOCC(F)(F)F ZINC000094089097 184754571 /nfs/dbraw/zinc/75/45/71/184754571.db2.gz RCCVOMLBNFYEND-LBPRGKRZSA-N 1 0 274.286 2.425 10 0 CEAERO CCC[NH2+][C@@H](C(OC)OC)[C@H]1CCCc2cccnc21 ZINC000094138803 184755881 /nfs/dbraw/zinc/75/58/81/184755881.db2.gz WFIIWSLAHKEMAT-DZGCQCFKSA-N 1 0 278.396 2.489 10 0 CEAERO CC[NH2+][C@H](Cc1nccn1C)C1Cc2ccccc2C1 ZINC000094162180 184757205 /nfs/dbraw/zinc/75/72/05/184757205.db2.gz ZYZGNDWVRCXTDW-MRXNPFEDSA-N 1 0 269.392 2.356 10 0 CEAERO CCCn1c(C[C@H]([NH3+])[C@H]2CCCO2)nc2ccccc21 ZINC000094171537 184758924 /nfs/dbraw/zinc/75/89/24/184758924.db2.gz XMZFALIPVFEIRN-SWLSCSKDSA-N 1 0 273.380 2.495 10 0 CEAERO CCC[NH2+]C[C@@H](O)Cc1nc2ccccc2n1CCC ZINC000094173219 184759251 /nfs/dbraw/zinc/75/92/51/184759251.db2.gz CNVKOMIJJMWIGD-ZDUSSCGKSA-N 1 0 275.396 2.349 10 0 CEAERO [NH3+][C@H]1CC[C@@H]2CN(C(=O)c3ccc(F)c(F)c3F)C[C@@H]2C1 ZINC000094184993 184760349 /nfs/dbraw/zinc/76/03/49/184760349.db2.gz FJDNEEVDFGNWNG-UTLUCORTSA-N 1 0 298.308 2.303 10 0 CEAERO CCn1nc(C)c(Cl)c1COc1ccc(CC[NH3+])nc1 ZINC000094215209 184763769 /nfs/dbraw/zinc/76/37/69/184763769.db2.gz HFECYYCCRFUMHH-UHFFFAOYSA-N 1 0 294.786 2.340 10 0 CEAERO CCC([NH3+])(CC)C(=O)Nc1ccc(-n2ccnc2C)nc1 ZINC000094243792 184769012 /nfs/dbraw/zinc/76/90/12/184769012.db2.gz YMEUZQFFZKDUFW-UHFFFAOYSA-N 1 0 287.367 2.032 10 0 CEAERO CCC([NH3+])(CC)C(=O)Nc1ccccc1[C@@H](C)O ZINC000094245285 184769080 /nfs/dbraw/zinc/76/90/80/184769080.db2.gz LAVBMJQEIUCEBU-SNVBAGLBSA-N 1 0 250.342 2.196 10 0 CEAERO CCC[NH2+]C1CCC(O)(Cc2nccs2)CC1 ZINC000094253967 184770191 /nfs/dbraw/zinc/77/01/91/184770191.db2.gz JOLMPERYSCYNAQ-UHFFFAOYSA-N 1 0 254.399 2.359 10 0 CEAERO Cc1cc2nnc(CC3(C[NH3+])CCCCC3)n2c(C)n1 ZINC000094258764 184770317 /nfs/dbraw/zinc/77/03/17/184770317.db2.gz XXICIQQFFSIDIJ-UHFFFAOYSA-N 1 0 273.384 2.193 10 0 CEAERO C[NH2+][C@H]1[C@H](S(=O)(=O)CC(C)C)CCCC1(C)C ZINC000094281561 184775237 /nfs/dbraw/zinc/77/52/37/184775237.db2.gz FHRXQMXNNRTSLL-NEPJUHHUSA-N 1 0 261.431 2.224 10 0 CEAERO C[C@H](c1nc2c(s1)CCC2(C)C)N1CC[NH2+]CC1 ZINC000094309026 184778234 /nfs/dbraw/zinc/77/82/34/184778234.db2.gz IOEMCQWAMWCLCA-SNVBAGLBSA-N 1 0 265.426 2.333 10 0 CEAERO CCC[NH2+][C@H]1[C@H](N(C)Cc2nccn2C)CCC1(C)C ZINC000094305837 184778461 /nfs/dbraw/zinc/77/84/61/184778461.db2.gz VRWFPAADRJJBSP-HIFRSBDPSA-N 1 0 278.444 2.409 10 0 CEAERO CC1(C)CC[C@H](S(=O)(=O)CC2CCCC2)[C@@H]1[NH3+] ZINC000094311621 184778505 /nfs/dbraw/zinc/77/85/05/184778505.db2.gz YEMZVBAPGQECQU-RYUDHWBXSA-N 1 0 259.415 2.107 10 0 CEAERO CCc1nn(C)c(C[C@@]2(C[NH3+])CCC(C)(C)[C@H]2O)c1Cl ZINC000094315082 184779162 /nfs/dbraw/zinc/77/91/62/184779162.db2.gz GAWBTXLSSQFJKT-UKRRQHHQSA-N 1 0 299.846 2.304 10 0 CEAERO CC[NH2+][C@H]1[C@@H](Sc2n[nH]c(=O)n2C2CC2)CCC1(C)C ZINC000094313462 184779712 /nfs/dbraw/zinc/77/97/12/184779712.db2.gz AWSDWTZDHNOIGE-QWRGUYRKSA-N 1 0 296.440 2.165 10 0 CEAERO Cn1cc(Sc2nc(C(F)(F)F)ccc2C[NH3+])cn1 ZINC000094337273 184783598 /nfs/dbraw/zinc/78/35/98/184783598.db2.gz YUPQPQUWMAAOMR-UHFFFAOYSA-N 1 0 288.298 2.444 10 0 CEAERO C[C@@H]([NH3+])Cc1cc(F)c(OC[C@H]2CCCO2)c(F)c1 ZINC000094350040 184786954 /nfs/dbraw/zinc/78/69/54/184786954.db2.gz GMPYLEGTJQIRCB-MWLCHTKSSA-N 1 0 271.307 2.412 10 0 CEAERO CCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000094369816 184790149 /nfs/dbraw/zinc/79/01/49/184790149.db2.gz BHLIJNMUDBVCFM-ZIAGYGMSSA-N 1 0 282.428 2.373 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1CO[C@@H]1CCOC2(CCOCC2)C1 ZINC000094381258 184791446 /nfs/dbraw/zinc/79/14/46/184791446.db2.gz MIIIIXCNQJJNRE-HRCADAONSA-N 1 0 297.439 2.496 10 0 CEAERO OCC1CC[NH+]([C@H]2CCOC3(CCSCC3)C2)CC1 ZINC000094410873 184794267 /nfs/dbraw/zinc/79/42/67/184794267.db2.gz DJDUXAWMFYMPNW-AWEZNQCLSA-N 1 0 285.453 2.136 10 0 CEAERO CC(C)C[NH2+]CC[C@@](C)(O)[C@@H]1CCOC2(CCOCC2)C1 ZINC000094418759 184794851 /nfs/dbraw/zinc/79/48/51/184794851.db2.gz FGOQEDAXOWNHLY-HZPDHXFCSA-N 1 0 299.455 2.349 10 0 CEAERO C[NH2+][C@H]1[C@@H](CN(C)Cc2cscn2)C(C)(C)OC1(C)C ZINC000094428256 184796787 /nfs/dbraw/zinc/79/67/87/184796787.db2.gz RGLUEEWEKBNIDL-OLZOCXBDSA-N 1 0 297.468 2.367 10 0 CEAERO C[C@@]1(C[NH2+]C[C@@H]2OCCc3ccccc32)CCCO1 ZINC000094801473 184867937 /nfs/dbraw/zinc/86/79/37/184867937.db2.gz OIBPWIVPMCLBHM-HOTGVXAUSA-N 1 0 261.365 2.459 10 0 CEAERO C[C@@]1(C[NH2+]C[C@H]2Cc3cc(F)ccc3O2)CCCO1 ZINC000094801305 184868153 /nfs/dbraw/zinc/86/81/53/184868153.db2.gz SZIZFSJYOASGSO-HIFRSBDPSA-N 1 0 265.328 2.288 10 0 CEAERO CCCN1C(=[NH2+])NC[C@]1(C)c1cc(F)cc(F)c1 ZINC000094831902 184877837 /nfs/dbraw/zinc/87/78/37/184877837.db2.gz JEZNTAPFHQIERL-CYBMUJFWSA-N 1 0 253.296 2.220 10 0 CEAERO COc1ncccc1C[NH2+][C@@H]1CCCS[C@H]1C ZINC000094477777 184808252 /nfs/dbraw/zinc/80/82/52/184808252.db2.gz LQEJBNCQFUUCTB-CMPLNLGQSA-N 1 0 252.383 2.464 10 0 CEAERO C[NH2+][C@H]1CCC[C@H]1c1nc(CCC(F)(F)F)no1 ZINC000094494242 184809997 /nfs/dbraw/zinc/80/99/97/184809997.db2.gz CYSITZJWLODFOG-SFYZADRCSA-N 1 0 263.263 2.420 10 0 CEAERO C[NH2+][C@H](CCc1ccc(OC)cc1)[C@@H]1CSCCO1 ZINC000094503111 184811783 /nfs/dbraw/zinc/81/17/83/184811783.db2.gz VDZAZQCQDXHILW-CABCVRRESA-N 1 0 281.421 2.348 10 0 CEAERO C[C@@H]1C[C@@H]([NH3+])CN(C(=O)c2ccc(Cl)cc2F)C1 ZINC000094549176 184815728 /nfs/dbraw/zinc/81/57/28/184815728.db2.gz XSOJDGQEQIJOTG-PSASIEDQSA-N 1 0 270.735 2.288 10 0 CEAERO CCc1ccsc1C(=O)N1C[C@@H](C)C[C@H]([NH3+])C1 ZINC000094548871 184816054 /nfs/dbraw/zinc/81/60/54/184816054.db2.gz SHYWNKZUVCDSSV-ONGXEEELSA-N 1 0 252.383 2.120 10 0 CEAERO CC(C)c1ccc(NC(=O)CN2C[C@H]([NH3+])C[C@H](C)C2)cc1 ZINC000094551292 184817098 /nfs/dbraw/zinc/81/70/98/184817098.db2.gz PNIOKIPZXBEDPL-DZGCQCFKSA-N 1 0 289.423 2.418 10 0 CEAERO [NH3+]C[C@H]1CC[C@@H](c2nc(C3CCCCC3)no2)O1 ZINC000094560775 184817622 /nfs/dbraw/zinc/81/76/22/184817622.db2.gz DZMVPAOQZCQAGD-MNOVXSKESA-N 1 0 251.330 2.296 10 0 CEAERO [NH3+]C[C@@H]1CC[C@H](c2nc(-c3ccc(F)c(F)c3)no2)O1 ZINC000094560862 184818440 /nfs/dbraw/zinc/81/84/40/184818440.db2.gz UIIQWDUHFLIRRQ-GZMMTYOYSA-N 1 0 281.262 2.194 10 0 CEAERO [NH3+]C[C@H]1CC[C@@H](c2nc(Cc3cc(F)cc(F)c3)no2)O1 ZINC000094560899 184818480 /nfs/dbraw/zinc/81/84/80/184818480.db2.gz SNFDCEAGUQFHMD-NEPJUHHUSA-N 1 0 295.289 2.117 10 0 CEAERO CCCc1ccc(NC(=O)[C@@H]2CC[C@@H](C[NH3+])O2)cc1 ZINC000094565120 184818924 /nfs/dbraw/zinc/81/89/24/184818924.db2.gz KEBHWLRZFDGQRU-KBPBESRZSA-N 1 0 262.353 2.084 10 0 CEAERO C[N@H+](CCNc1nc2ccc(F)cn2n1)C1CCCC1 ZINC000094605878 184824462 /nfs/dbraw/zinc/82/44/62/184824462.db2.gz KKIQSEADKIPQOV-UHFFFAOYSA-N 1 0 277.347 2.155 10 0 CEAERO CCN(c1nc2cccc(C)n2n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000094607578 184825468 /nfs/dbraw/zinc/82/54/68/184825468.db2.gz FDQHHVDIEUCECZ-PBWFPOADSA-N 1 0 285.395 2.147 10 0 CEAERO CCN(c1nc2cccc(C)n2n1)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000094608898 184825677 /nfs/dbraw/zinc/82/56/77/184825677.db2.gz NMRPMDSFLITLKB-ZIAGYGMSSA-N 1 0 287.411 2.382 10 0 CEAERO C[C@@H]([NH3+])[C@@H]1CCCCN1c1nc2ccc(Cl)cn2n1 ZINC000094607993 184825821 /nfs/dbraw/zinc/82/58/21/184825821.db2.gz JIFYOZIQVCKJOZ-KOLCDFICSA-N 1 0 279.775 2.089 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc(F)c(F)c1 ZINC000094646923 184833056 /nfs/dbraw/zinc/83/30/56/184833056.db2.gz PZXWOFNRLMICNV-SCZZXKLOSA-N 1 0 254.280 2.291 10 0 CEAERO COc1cc(OC)cc([C@H](O)C(C)(C)[NH+](C)C)c1 ZINC000094650755 184834666 /nfs/dbraw/zinc/83/46/66/184834666.db2.gz XGEJFHRAHBHMRB-ZDUSSCGKSA-N 1 0 253.342 2.077 10 0 CEAERO C[C@H](O[C@H]1CCC[NH2+][C@@H]1C)C(=O)Nc1ccccc1 ZINC000094673455 184838295 /nfs/dbraw/zinc/83/82/95/184838295.db2.gz YIDGTARLESPZDX-DYEKYZERSA-N 1 0 262.353 2.171 10 0 CEAERO [NH3+][C@@]1(Cc2ccc(O)cc2)COc2ccccc2C1 ZINC000094691335 184841035 /nfs/dbraw/zinc/84/10/35/184841035.db2.gz ZKCKTURLYYRIBE-MRXNPFEDSA-N 1 0 255.317 2.267 10 0 CEAERO CC(C)C[C@@H](C[NH3+])C(=O)Nc1ccc2c[nH]nc2c1 ZINC000094697927 184841493 /nfs/dbraw/zinc/84/14/93/184841493.db2.gz ZFABTDGSPRKJGF-NSHDSACASA-N 1 0 260.341 2.122 10 0 CEAERO CC(C)C[C@H](C[NH3+])c1nc(-c2ccc(F)cn2)no1 ZINC000094704617 184844260 /nfs/dbraw/zinc/84/42/60/184844260.db2.gz ZTZXOSZCSCTOQZ-SECBINFHSA-N 1 0 264.304 2.359 10 0 CEAERO CC[C@@H]([NH2+]C1COC1)c1ccc(OC)c(OC)c1 ZINC000094709962 184844699 /nfs/dbraw/zinc/84/46/99/184844699.db2.gz UCALKXAQYVTKIY-GFCCVEGCSA-N 1 0 251.326 2.143 10 0 CEAERO COCCCc1nc2cc(C[NH3+])ccc2n1C1CC1 ZINC000095038325 184921738 /nfs/dbraw/zinc/92/17/38/184921738.db2.gz NMUHQMCLUJMMKS-UHFFFAOYSA-N 1 0 259.353 2.409 10 0 CEAERO [NH3+]CCC[C@H]1CCCN1C(=O)Cc1c(F)cccc1F ZINC000095061951 184927192 /nfs/dbraw/zinc/92/71/92/184927192.db2.gz SXZJMBXLHFNDSP-NSHDSACASA-N 1 0 282.334 2.237 10 0 CEAERO Cc1ccsc1CNC(=O)[C@@H](C[NH3+])CC(C)C ZINC000094876442 184885286 /nfs/dbraw/zinc/88/52/86/184885286.db2.gz VDHUKCKLQAQNQQ-LLVKDONJSA-N 1 0 254.399 2.294 10 0 CEAERO CCc1ccsc1CNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000094876899 184886811 /nfs/dbraw/zinc/88/68/11/184886811.db2.gz NWMPHYDGOLDHBH-LLVKDONJSA-N 1 0 254.399 2.300 10 0 CEAERO Cc1cc(C[NH2+]CCCC(=O)N(C)C)cc(C)c1F ZINC000094894376 184889201 /nfs/dbraw/zinc/88/92/01/184889201.db2.gz YTMBMABGZRQPEN-UHFFFAOYSA-N 1 0 266.360 2.401 10 0 CEAERO Cc1ccc(C(=O)N[C@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c(F)c1 ZINC000094914135 184891712 /nfs/dbraw/zinc/89/17/12/184891712.db2.gz JOEYMLFSKABEHP-XQQFMLRXSA-N 1 0 276.355 2.252 10 0 CEAERO CCN(Cc1cccc(C)n1)C(=O)C1(C[NH3+])CCCC1 ZINC000094912521 184891743 /nfs/dbraw/zinc/89/17/43/184891743.db2.gz SXSWNNVSNQKARA-UHFFFAOYSA-N 1 0 275.396 2.258 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)C[C@H]2CC[NH2+]C2)cc1F ZINC000094956616 184903754 /nfs/dbraw/zinc/90/37/54/184903754.db2.gz FKRXMKDYEWTWPX-NWDGAFQWSA-N 1 0 264.344 2.311 10 0 CEAERO Cc1cc(F)ccc1CCNC(=O)C[C@@H]1CCCC[NH2+]1 ZINC000094961774 184906096 /nfs/dbraw/zinc/90/60/96/184906096.db2.gz LIRHCNZCLKDXKA-HNNXBMFYSA-N 1 0 278.371 2.325 10 0 CEAERO Cc1csc(CN2Cc3ccccc3C[C@@H]2C[NH3+])n1 ZINC000094967410 184907059 /nfs/dbraw/zinc/90/70/59/184907059.db2.gz AKASBXZHRXTTBL-CQSZACIVSA-N 1 0 273.405 2.337 10 0 CEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1F ZINC000282212545 195540046 /nfs/dbraw/zinc/54/00/46/195540046.db2.gz DMBASZHEDZPNTF-UFBFGSQYSA-N 1 0 270.735 2.236 10 0 CEAERO CCC[C@H](C(=O)NCCc1ccc(F)c(F)c1)[NH+](C)C ZINC000191675421 130276587 /nfs/dbraw/zinc/27/65/87/130276587.db2.gz NLVUWSZMKBQXAS-CQSZACIVSA-N 1 0 284.350 2.354 10 0 CEAERO [NH3+][C@H]1CCN(C(=O)c2cccc(OCc3ccccc3)c2)C1 ZINC000237851392 131060599 /nfs/dbraw/zinc/06/05/99/131060599.db2.gz PKIFRHSUNKCVJU-INIZCTEOSA-N 1 0 296.370 2.439 10 0 CEAERO C[C@H]1CN(c2ncccc2Br)C[C@H]1[NH+](C)C ZINC000251880568 131132071 /nfs/dbraw/zinc/13/20/71/131132071.db2.gz UTKPAKGBLSALNS-GXSJLCMTSA-N 1 0 284.201 2.230 10 0 CEAERO CO[C@H](C)[C@H](C)[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000252711089 131137388 /nfs/dbraw/zinc/13/73/88/131137388.db2.gz INJXGDOURXYGEL-GZBFAFLISA-N 1 0 250.386 2.302 10 0 CEAERO CCCOc1cc(F)ccc1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261890171 131175881 /nfs/dbraw/zinc/17/58/81/131175881.db2.gz VMQNCBFHDPKBOT-YPMHNXCESA-N 1 0 296.342 2.059 10 0 CEAERO CCC[C@@](C)([NH3+])C(=O)Nc1cccc(C[S@](C)=O)c1 ZINC000262717044 131254658 /nfs/dbraw/zinc/25/46/58/131254658.db2.gz VZOBATWBZGVOQI-KUHUBIRLSA-N 1 0 282.409 2.021 10 0 CEAERO CC(C)[C@@](C)(C[NH3+])N1CCN(c2ccc(F)cc2)CC1 ZINC000041156333 134878417 /nfs/dbraw/zinc/87/84/17/134878417.db2.gz YUYNHZYCJFMZJR-MRXNPFEDSA-N 1 0 279.403 2.321 10 0 CEAERO CCCOc1cncc(N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000071176177 134959415 /nfs/dbraw/zinc/95/94/15/134959415.db2.gz UZDLBYFRUIQNCM-KBPBESRZSA-N 1 0 290.411 2.376 10 0 CEAERO [NH3+]Cc1cnc(N2CCC(Cc3ccccc3)CC2)cn1 ZINC000071177765 134960641 /nfs/dbraw/zinc/96/06/41/134960641.db2.gz OOIMXYUXCNHDLT-UHFFFAOYSA-N 1 0 282.391 2.394 10 0 CEAERO [NH3+][C@H]1CCN(C(=O)c2cccnc2)c2ccccc21 ZINC000071324150 134962385 /nfs/dbraw/zinc/96/23/85/134962385.db2.gz GSZNMZIZOOGDJN-ZDUSSCGKSA-N 1 0 253.305 2.132 10 0 CEAERO [NH3+][C@@H]1CCN(CC(=O)NC2CCCCC2)c2ccccc21 ZINC000071325454 134964059 /nfs/dbraw/zinc/96/40/59/134964059.db2.gz OWZPDMWMZZSCPD-OAHLLOKOSA-N 1 0 287.407 2.345 10 0 CEAERO COc1cc(N2CC[NH2+]C[C@H]2C(C)C)ccc1F ZINC000083393391 135018081 /nfs/dbraw/zinc/01/80/81/135018081.db2.gz SBKSXGQDFDEPLR-ZDUSSCGKSA-N 1 0 252.333 2.269 10 0 CEAERO CC[C@H]1C[NH2+]CCN1c1ccccc1OC(F)F ZINC000083415202 135020064 /nfs/dbraw/zinc/02/00/64/135020064.db2.gz LMWLJRAWUIDXQW-JTQLQIEISA-N 1 0 256.296 2.476 10 0 CEAERO [NH3+]C1(CCN2CCN(c3ccccn3)CC2)CCCCC1 ZINC000084187996 135031991 /nfs/dbraw/zinc/03/19/91/135031991.db2.gz GDBNIUMSDIPQBX-UHFFFAOYSA-N 1 0 288.439 2.255 10 0 CEAERO C[NH2+][C@](C)(CO)CCN1C[C@@H](C)Cc2ccccc21 ZINC000085211824 135035433 /nfs/dbraw/zinc/03/54/33/135035433.db2.gz JVESBCQVTXRSTR-BBRMVZONSA-N 1 0 262.397 2.046 10 0 CEAERO 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1 0 282.428 2.025 10 0 CEAERO Cc1ccc2cc(C[NH2+]CC3CC(O)C3)ccc2n1 ZINC000097861808 394700408 /nfs/dbraw/zinc/70/04/08/394700408.db2.gz YZSXZEAXXHLZEQ-UHFFFAOYSA-N 1 0 256.349 2.404 10 0 CEAERO Cc1cnc(NC(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)s1 ZINC000335254838 394753974 /nfs/dbraw/zinc/75/39/74/394753974.db2.gz BFBXCPVHMUOGJT-SECBINFHSA-N 1 0 268.386 2.043 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(C)n1 ZINC000122792769 394817190 /nfs/dbraw/zinc/81/71/90/394817190.db2.gz HLPMBUQJTIUMLO-UONOGXRCSA-N 1 0 288.395 2.481 10 0 CEAERO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H](CO)CC(F)(F)F ZINC000423011269 394880981 /nfs/dbraw/zinc/88/09/81/394880981.db2.gz ILWGXUDZHGUUDL-IJLUTSLNSA-N 1 0 282.350 2.200 10 0 CEAERO Cc1nnc([C@H](C)N2CC[N@@H+]3CCCC[C@H]3C2)s1 ZINC000338273961 394909593 /nfs/dbraw/zinc/90/95/93/394909593.db2.gz HZCKHQJGEZVNAO-JQWIXIFHSA-N 1 0 266.414 2.078 10 0 CEAERO Cc1ccsc1[C@H](C)[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000282152369 394912056 /nfs/dbraw/zinc/91/20/56/394912056.db2.gz CTHPWMYBCMOXPB-VWYCJHECSA-N 1 0 252.383 2.374 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC1(C2CC2)CC1 ZINC000152359366 394995288 /nfs/dbraw/zinc/99/52/88/394995288.db2.gz MLOYOXRWNVHNEA-TZMCWYRMSA-N 1 0 277.412 2.055 10 0 CEAERO Cc1cccc(OCCCC(=O)N2CC[C@H]([NH3+])[C@H]2C)c1 ZINC000423645140 394961536 /nfs/dbraw/zinc/96/15/36/394961536.db2.gz OAALHLWPNDTRLV-HIFRSBDPSA-N 1 0 276.380 2.102 10 0 CEAERO C[NH2+]CCN(C)c1ccnc2cc(Br)cnc21 ZINC000135517250 394965787 /nfs/dbraw/zinc/96/57/87/394965787.db2.gz ZSEYWTHRHIXAEB-UHFFFAOYSA-N 1 0 295.184 2.048 10 0 CEAERO CO[C@H]1C[C@H](CO)[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000343973869 395047806 /nfs/dbraw/zinc/04/78/06/395047806.db2.gz HLGICPSLAHZDKN-OLZOCXBDSA-N 1 0 289.297 2.287 10 0 CEAERO CSCCCCC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000158873584 395055369 /nfs/dbraw/zinc/05/53/69/395055369.db2.gz PUFSXJHGEMMHSN-OLZOCXBDSA-N 1 0 272.458 2.365 10 0 CEAERO CCc1nnc(C[NH2+][C@@H]2CCCC[C@H]2CC)n1C ZINC000163297263 395083601 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COc1ccccc1C[C@H](C)[NH2+][C@@H]1CCCN[C@H]1C ZINC000396637476 395217811 /nfs/dbraw/zinc/21/78/11/395217811.db2.gz NZXBMLBZYOCYHY-KCQAQPDRSA-N 1 0 262.397 2.356 10 0 CEAERO Cc1csc2c1ncnc2N1CC[C@H]([NH+](C)C)C1 ZINC000192562699 395387271 /nfs/dbraw/zinc/38/72/71/395387271.db2.gz HVGDSFXMHSQWSU-JTQLQIEISA-N 1 0 262.382 2.140 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H](C1CCC1)C1CCCC1 ZINC000648200588 395862231 /nfs/dbraw/zinc/86/22/31/395862231.db2.gz NCAVIKZMVGEFMK-KCPJHIHWSA-N 1 0 264.413 2.317 10 0 CEAERO CC[C@@H]1CN(Cc2nccn2C(C)C)CC[C@@H]1[NH3+] ZINC000649416534 396149497 /nfs/dbraw/zinc/14/94/97/396149497.db2.gz CYAUZVOWSWAYKJ-OLZOCXBDSA-N 1 0 250.390 2.023 10 0 CEAERO C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCC[C@H]2C[NH3+])o1 ZINC000646796386 396381917 /nfs/dbraw/zinc/38/19/17/396381917.db2.gz FOYTVGLMJCPFDC-MBNYWOFBSA-N 1 0 276.380 2.285 10 0 CEAERO C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NC[C@H]2CC[NH2+]C2)o1 ZINC000646967418 396396843 /nfs/dbraw/zinc/39/68/43/396396843.db2.gz PDRNFEFTWBDCKU-DYEKYZERSA-N 1 0 276.380 2.061 10 0 CEAERO CC(C)[NH2+]CCC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000037618724 400117500 /nfs/dbraw/zinc/11/75/00/400117500.db2.gz XFLIYAUIHKDENL-UHFFFAOYSA-N 1 0 264.413 2.315 10 0 CEAERO CC(=O)c1cccc(NC(=O)C2CCC([NH3+])CC2)c1 ZINC000040858410 400125215 /nfs/dbraw/zinc/12/52/15/400125215.db2.gz DLPZGSRYSAZMFJ-UHFFFAOYSA-N 1 0 260.337 2.345 10 0 CEAERO C[C@H]([NH3+])C1CCN(c2ncnc3ccccc32)CC1 ZINC000111612506 400272524 /nfs/dbraw/zinc/27/25/24/400272524.db2.gz RIVUIUASRKQMRG-NSHDSACASA-N 1 0 256.353 2.193 10 0 CEAERO CC[C@H]([NH2+]C[C@@H]1CN(CC)CCO1)C1CCCC1 ZINC000387438807 400530298 /nfs/dbraw/zinc/53/02/98/400530298.db2.gz KBJFFITXANXWNM-CABCVRRESA-N 1 0 254.418 2.266 10 0 CEAERO Cn1cc([C@@H]2CCC[N@@H+]2C[C@@H]2CCC[C@H](O)C2)cn1 ZINC000389168027 400537138 /nfs/dbraw/zinc/53/71/38/400537138.db2.gz ZXBVLFGIPSMEIJ-SNPRPXQTSA-N 1 0 263.385 2.108 10 0 CEAERO O[C@@H]1CCC[C@H](CN2CC[NH+](C3CCCC3)CC2)C1 ZINC000389419119 400537856 /nfs/dbraw/zinc/53/78/56/400537856.db2.gz NAEASKONXNNBHS-GOEBONIOSA-N 1 0 266.429 2.098 10 0 CEAERO O[C@H]1CCC[C@H](CN2CC[NH+](C3CCCC3)CC2)C1 ZINC000389419120 400538179 /nfs/dbraw/zinc/53/81/79/400538179.db2.gz NAEASKONXNNBHS-HOCLYGCPSA-N 1 0 266.429 2.098 10 0 CEAERO C[C@H](COCc1ccccc1)NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000390783399 400541123 /nfs/dbraw/zinc/54/11/23/400541123.db2.gz SVOGWJUUTQHIEM-BMFZPTHFSA-N 1 0 290.407 2.083 10 0 CEAERO CC(C)[C@@H]1CCCCN1C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000396106154 400557007 /nfs/dbraw/zinc/55/70/07/400557007.db2.gz UHWLFQDEOHWEPS-MJBXVCDLSA-N 1 0 252.402 2.399 10 0 CEAERO Cc1ccc([C@@H](C)[NH2+]CC2(O)CCOCC2)cc1C ZINC000162272723 292195290 /nfs/dbraw/zinc/19/52/90/292195290.db2.gz NPFOZFWHYOKJSU-CQSZACIVSA-N 1 0 263.381 2.496 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]CC(CC)(CC)CO)C12CCOCC2 ZINC000186431924 286278797 /nfs/dbraw/zinc/27/87/97/286278797.db2.gz NDAMIZJZONMNSU-HUUCEWRRSA-N 1 0 299.455 2.349 10 0 CEAERO CCc1ccccc1CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000188404072 153055231 /nfs/dbraw/zinc/05/52/31/153055231.db2.gz FCTROYYQKAQYOO-WMLDXEAASA-N 1 0 286.419 2.487 10 0 CEAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+]Cc1ccc(F)nc1)CC2 ZINC000189071908 153077118 /nfs/dbraw/zinc/07/71/18/153077118.db2.gz YNAFCDUVAYGPCS-LBPRGKRZSA-N 1 0 289.358 2.040 10 0 CEAERO COCCC(C)(C)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000230896762 292282317 /nfs/dbraw/zinc/28/23/17/292282317.db2.gz YTAGPCYXBVCLNR-XQQFMLRXSA-N 1 0 255.402 2.452 10 0 CEAERO Cc1cc(=O)[nH]c([C@H](C)[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)n1 ZINC000192624965 153217262 /nfs/dbraw/zinc/21/72/62/153217262.db2.gz CWUZZAPBSQIJHF-WOSRLPQWSA-N 1 0 291.395 2.179 10 0 CEAERO CC(C)C(CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)C(C)C ZINC000194370404 153253576 /nfs/dbraw/zinc/25/35/76/153253576.db2.gz MAHQHYXSIGWWKL-AWEZNQCLSA-N 1 0 281.444 2.404 10 0 CEAERO O=C(Cc1ccc2c(c1)CCC2)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195317164 153281593 /nfs/dbraw/zinc/28/15/93/153281593.db2.gz NRJIVPZUWBVWGE-QGZVFWFLSA-N 1 0 284.403 2.024 10 0 CEAERO Cc1[nH]c2ccccc2c1CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195330844 153281606 /nfs/dbraw/zinc/28/16/06/153281606.db2.gz IIAGVFKOENHFHK-CQSZACIVSA-N 1 0 297.402 2.325 10 0 CEAERO CCc1csc([C@@H]2CCCN(CC(=O)NC(C)C)C2)n1 ZINC000195381658 153285868 /nfs/dbraw/zinc/28/58/68/153285868.db2.gz PTXQVIJPURPAKD-GFCCVEGCSA-N 1 0 295.452 2.410 10 0 CEAERO O=C(CCc1cc(F)ccc1F)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195337180 153288994 /nfs/dbraw/zinc/28/89/94/153288994.db2.gz HYOVRJKBAWFUAE-CQSZACIVSA-N 1 0 294.345 2.204 10 0 CEAERO C[C@@H]1C[C@H](C[NH3+])CN1c1cccc(C(F)(F)F)n1 ZINC000216191592 153292479 /nfs/dbraw/zinc/29/24/79/153292479.db2.gz ZYVHUARQCAQHRQ-RKDXNWHRSA-N 1 0 259.275 2.274 10 0 CEAERO Cc1nc(C[C@@H]2CCC[N@H+](Cc3c(C)noc3C)C2)no1 ZINC000195517717 153293069 /nfs/dbraw/zinc/29/30/69/153293069.db2.gz GBECGXIQOWJGFW-ZDUSSCGKSA-N 1 0 290.367 2.438 10 0 CEAERO Cc1csc2c1ncnc2NC[C@@H]([NH3+])C(C)C ZINC000222339437 153317798 /nfs/dbraw/zinc/31/77/98/153317798.db2.gz WQAZIAIQDIJOND-SECBINFHSA-N 1 0 250.371 2.395 10 0 CEAERO OCC[C@H]1CCN(c2cc(C(F)(F)F)ccn2)C1 ZINC000226803142 153339648 /nfs/dbraw/zinc/33/96/48/153339648.db2.gz JBUWUDQUDAEHDA-SECBINFHSA-N 1 0 260.259 2.309 10 0 CEAERO O=C(CC[N@H+]1CC[C@@H](CCO)C1)Nc1ccccc1Cl ZINC000227570468 153347749 /nfs/dbraw/zinc/34/77/49/153347749.db2.gz KETTYEVOZYDOCG-LBPRGKRZSA-N 1 0 296.798 2.373 10 0 CEAERO COc1c(C[NH2+]CC2(C(C)C)CC2)c(C)nn1C ZINC000227833194 153350334 /nfs/dbraw/zinc/35/03/34/153350334.db2.gz UQISHJCTDVKTDC-UHFFFAOYSA-N 1 0 251.374 2.263 10 0 CEAERO CCCC[C@H](C[NH3+])Nc1nc(C(F)(F)F)ns1 ZINC000228792295 153366493 /nfs/dbraw/zinc/36/64/93/153366493.db2.gz URTHYUVZRRIHQN-ZCFIWIBFSA-N 1 0 268.308 2.486 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC[C@@H]1CC[C@@H](C)O1 ZINC000253550158 153745183 /nfs/dbraw/zinc/74/51/83/153745183.db2.gz ZREHDKOYQGEZBD-FPCVCCKLSA-N 1 0 294.439 2.419 10 0 CEAERO CCc1cc(CC)nc(N[C@@H](C)[C@@H]2CCC[NH2+]C2)n1 ZINC000261574401 153767465 /nfs/dbraw/zinc/76/74/65/153767465.db2.gz BBKUSAXPDKYIJX-NWDGAFQWSA-N 1 0 262.401 2.401 10 0 CEAERO CCc1ccccc1C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261631254 153791967 /nfs/dbraw/zinc/79/19/67/153791967.db2.gz VZTBFMYHIPHRKT-CQSZACIVSA-N 1 0 260.381 2.448 10 0 CEAERO C[C@@H]([NH3+])CC(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 ZINC000261654786 153803056 /nfs/dbraw/zinc/80/30/56/153803056.db2.gz BPFLEQRIFFROMI-RKDXNWHRSA-N 1 0 269.414 2.355 10 0 CEAERO COC[C@@]1(CNc2ccnc(C(F)(F)F)c2)CCC[NH2+]1 ZINC000261822995 153848858 /nfs/dbraw/zinc/84/88/58/153848858.db2.gz UCZWHQJMBMPAND-LBPRGKRZSA-N 1 0 289.301 2.281 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@H](C)C2C[NH2+]C2)cc1C ZINC000262044424 153902433 /nfs/dbraw/zinc/90/24/33/153902433.db2.gz GQUQUQAJILWUIX-OLZOCXBDSA-N 1 0 260.381 2.336 10 0 CEAERO Cc1ccc(O[C@@H](C)C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000262103399 153913774 /nfs/dbraw/zinc/91/37/74/153913774.db2.gz VFIVAQATKVHADF-DZGCQCFKSA-N 1 0 290.407 2.348 10 0 CEAERO CC(C)CCO[C@H]1CCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000262371437 153946802 /nfs/dbraw/zinc/94/68/02/153946802.db2.gz JZGZGKFYSBWJTC-KKUMJFAQSA-N 1 0 282.428 2.038 10 0 CEAERO CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000262437287 153949540 /nfs/dbraw/zinc/94/95/40/153949540.db2.gz GQFBEOOZYYJDSB-YUSALJHKSA-N 1 0 282.334 2.183 10 0 CEAERO CC(C)c1csc([C@H]2CCCN(CC[NH3+])C2)n1 ZINC000262988618 154003355 /nfs/dbraw/zinc/00/33/55/154003355.db2.gz NKNNGFKTRZGWGU-NSHDSACASA-N 1 0 253.415 2.405 10 0 CEAERO CSc1ccsc1-c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263108976 154017051 /nfs/dbraw/zinc/01/70/51/154017051.db2.gz ACUFVTUMAGLHEA-QMMMGPOBSA-N 1 0 296.421 2.096 10 0 CEAERO CSc1ccsc1-c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263108975 154018097 /nfs/dbraw/zinc/01/80/97/154018097.db2.gz ACUFVTUMAGLHEA-MRVPVSSYSA-N 1 0 296.421 2.096 10 0 CEAERO CN1CC[NH2+]C[C@@H]1c1noc([C@@H]2C[C@H]2C2CCCCC2)n1 ZINC000263214944 154036145 /nfs/dbraw/zinc/03/61/45/154036145.db2.gz KSNATWZBFPIXRV-BFHYXJOUSA-N 1 0 290.411 2.330 10 0 CEAERO Cc1ccccc1[C@@H]1C[C@H]1c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263221717 154038242 /nfs/dbraw/zinc/03/82/42/154038242.db2.gz LZTACJUSLGQESE-RRFJBIMHSA-N 1 0 298.390 2.225 10 0 CEAERO CCCc1nnc(NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])s1 ZINC000263293505 154053037 /nfs/dbraw/zinc/05/30/37/154053037.db2.gz VZIMVRUOYLGEBV-ZANVPECISA-N 1 0 282.413 2.337 10 0 CEAERO CN(C)c1nccnc1NCC1(C[NH+](C)C)CCCC1 ZINC000302194289 154188692 /nfs/dbraw/zinc/18/86/92/154188692.db2.gz NOXWXYRIPBHWBM-UHFFFAOYSA-N 1 0 277.416 2.077 10 0 CEAERO C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000220302697 289390240 /nfs/dbraw/zinc/39/02/40/289390240.db2.gz BDWGXMGAOVXEOR-IOASZLSFSA-N 1 0 283.412 2.344 10 0 CEAERO C[C@@H](C[NH3+])C(=O)NCC1CCC(C(F)(F)F)CC1 ZINC000262529220 286822653 /nfs/dbraw/zinc/82/26/53/286822653.db2.gz LURILOBSRWYGPO-IDKOKCKLSA-N 1 0 266.307 2.066 10 0 CEAERO Cn1cnc(CC[NH2+][C@H](c2ccco2)c2ccccc2)n1 ZINC000148656549 162300859 /nfs/dbraw/zinc/30/08/59/162300859.db2.gz YQWDESNYXQSCMO-INIZCTEOSA-N 1 0 282.347 2.330 10 0 CEAERO CCc1onc(C)c1C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000164659911 162337550 /nfs/dbraw/zinc/33/75/50/162337550.db2.gz PYYZUVPZLJVNFX-LBPRGKRZSA-N 1 0 281.400 2.252 10 0 CEAERO Cc1cccc(OCCC(=O)NCC[C@H]2CCC[NH2+]2)c1 ZINC000166718042 162350148 /nfs/dbraw/zinc/35/01/48/162350148.db2.gz DJBFXGYIAYSHCJ-CQSZACIVSA-N 1 0 276.380 2.022 10 0 CEAERO CO[C@@H]1CCN(Cc2cccc(OC(C)C)c2)[C@@H](C[NH3+])C1 ZINC000167163711 162356840 /nfs/dbraw/zinc/35/68/40/162356840.db2.gz RCSWRPAAVQFYDM-HZPDHXFCSA-N 1 0 292.423 2.412 10 0 CEAERO CC(C)(C)c1csc(CCNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)n1 ZINC000167751705 162360306 /nfs/dbraw/zinc/36/03/06/162360306.db2.gz YSRBEZVIMWYIQH-GHMZBOCLSA-N 1 0 295.452 2.227 10 0 CEAERO CCC[NH+]1CCC(CNC(=O)N2CCS[C@@H](C)C2)CC1 ZINC000171437107 162384419 /nfs/dbraw/zinc/38/44/19/162384419.db2.gz VNSZUZBFXGQNCH-ZDUSSCGKSA-N 1 0 299.484 2.255 10 0 CEAERO CC(C)n1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1 ZINC000172016280 162395849 /nfs/dbraw/zinc/39/58/49/162395849.db2.gz DUKHWGOGBHJVCX-UKRRQHHQSA-N 1 0 262.401 2.133 10 0 CEAERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccccc1N(C)C ZINC000180581745 287071754 /nfs/dbraw/zinc/07/17/54/287071754.db2.gz XUIOXFGAPKRHFA-OLZOCXBDSA-N 1 0 285.395 2.010 10 0 CEAERO c1csc([C@@H]2CCCC[N@H+]2CCCN2CCOCC2)n1 ZINC000173650589 165078248 /nfs/dbraw/zinc/07/82/48/165078248.db2.gz FPTZUWHHLPGJQO-AWEZNQCLSA-N 1 0 295.452 2.392 10 0 CEAERO CC(C)c1nc([C@H]2CCCN2C(=O)C[N@@H+](C)C(C)C)no1 ZINC000173595202 165080508 /nfs/dbraw/zinc/08/05/08/165080508.db2.gz MXZQXADITBEIOE-GFCCVEGCSA-N 1 0 294.399 2.197 10 0 CEAERO CC[NH+](CC)CC(=O)N1CCC[C@H]1c1noc(C(C)C)n1 ZINC000173753749 165081448 /nfs/dbraw/zinc/08/14/48/165081448.db2.gz MZHGLPJWPIDEIV-LBPRGKRZSA-N 1 0 294.399 2.198 10 0 CEAERO C[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173921907 165087472 /nfs/dbraw/zinc/08/74/72/165087472.db2.gz OQQDICDFPBYOTI-OCCSQVGLSA-N 1 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BTJREJMSSCJSHZ-CABCVRRESA-N 1 0 293.411 2.388 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCC(OCCC(C)C)CC1 ZINC000178428041 165241563 /nfs/dbraw/zinc/24/15/63/165241563.db2.gz OAYFDZMJQDSCNS-UKRRQHHQSA-N 1 0 284.444 2.414 10 0 CEAERO C[C@@H]([NH3+])CCNC(=O)C(C)(C)c1ccc(Cl)cc1 ZINC000178612933 165251561 /nfs/dbraw/zinc/25/15/61/165251561.db2.gz VUFVZOXUIMKINW-SNVBAGLBSA-N 1 0 268.788 2.471 10 0 CEAERO CC(C)n1cc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)cn1 ZINC000179686501 165287519 /nfs/dbraw/zinc/28/75/19/165287519.db2.gz LOJCFVJRTQFYGS-UKRRQHHQSA-N 1 0 262.401 2.133 10 0 CEAERO CCC[C@@H](C)C[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000180111530 165297425 /nfs/dbraw/zinc/29/74/25/165297425.db2.gz YSAHIZMYAZDLHO-OAHLLOKOSA-N 1 0 278.444 2.364 10 0 CEAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccco1)CC2 ZINC000180628359 165318146 /nfs/dbraw/zinc/31/81/46/165318146.db2.gz XHFXVASGRUIRRE-MNOVXSKESA-N 1 0 260.341 2.099 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCC[C@H]1CCCCO1 ZINC000181423158 165339157 /nfs/dbraw/zinc/33/91/57/165339157.db2.gz ZAIQLYYFSRMABH-HUUCEWRRSA-N 1 0 299.459 2.221 10 0 CEAERO CC(C)CN1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000181655639 165351782 /nfs/dbraw/zinc/35/17/82/165351782.db2.gz DSZUWTVPDGRCLD-RBSFLKMASA-N 1 0 254.418 2.121 10 0 CEAERO CC(C)(C)OC(=O)CCC[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000181853224 165356885 /nfs/dbraw/zinc/35/68/85/165356885.db2.gz FAWXGMXKYGRWMD-CYBMUJFWSA-N 1 0 294.399 2.037 10 0 CEAERO C[C@@H](Oc1ccccc1F)C(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000261725650 287121816 /nfs/dbraw/zinc/12/18/16/287121816.db2.gz HHTOWZMHQXRRRC-JHJVBQTASA-N 1 0 294.370 2.179 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CC1(Cl)Cl ZINC000174974590 287222752 /nfs/dbraw/zinc/22/27/52/287222752.db2.gz HONFTUUCSSMVCW-MXWKQRLJSA-N 1 0 291.222 2.265 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H](C)CCCOC ZINC000246224237 287223042 /nfs/dbraw/zinc/22/30/42/287223042.db2.gz ZIETXBVLZXWDLE-RBSFLKMASA-N 1 0 282.428 2.134 10 0 CEAERO CC(=O)Nc1ccc(NCc2ccc(F)cc2)[nH+]c1N ZINC000005160817 170072273 /nfs/dbraw/zinc/07/22/73/170072273.db2.gz DRLYXYQWBLIUFS-UHFFFAOYSA-N 1 0 274.299 2.373 10 0 in-vitro CEAERO CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@@H]1C[NH2+]C ZINC000005649647 170124083 /nfs/dbraw/zinc/12/40/83/170124083.db2.gz OCYYUEJRVUGFGH-ZBFHGGJFSA-N 1 0 260.381 2.032 10 0 CEAERO COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(F)cc1)[NH2+]2 ZINC000005997418 170166416 /nfs/dbraw/zinc/16/64/16/170166416.db2.gz HQXXRDHSJOKBAP-REWJHTLYSA-N 1 0 263.312 2.223 10 0 CEAERO [NH3+]C[C@@H](c1cccc(F)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000008031253 170315327 /nfs/dbraw/zinc/31/53/27/170315327.db2.gz UVRGGPAAVYSPPO-AWEZNQCLSA-N 1 0 297.326 2.439 10 0 CEAERO Cc1ccc([C@@H](C[NH3+])S(=O)(=O)c2ccccc2)cc1 ZINC000008031191 170315371 /nfs/dbraw/zinc/31/53/71/170315371.db2.gz RPKPAKCOPXJTHT-OAHLLOKOSA-N 1 0 275.373 2.469 10 0 CEAERO C[NH+](C)Cc1cn2cc(Br)ccc2n1 ZINC000008730179 170350938 /nfs/dbraw/zinc/35/09/38/170350938.db2.gz CZBIPZMJNHGXFB-UHFFFAOYSA-N 1 0 254.131 2.158 10 0 CEAERO CC(C)COCCC(=O)Nc1ccccc1C[NH3+] ZINC000019280027 170771026 /nfs/dbraw/zinc/77/10/26/170771026.db2.gz FXUXRTCCDFBIHP-UHFFFAOYSA-N 1 0 250.342 2.147 10 0 CEAERO O=C(NC1CCCCC1)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000019512320 170821250 /nfs/dbraw/zinc/82/12/50/170821250.db2.gz HZKRZLWVEAGZNC-FPMFFAJLSA-N 1 0 250.386 2.356 10 0 CEAERO C[C@H]([NH2+][C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCCC2 ZINC000020133363 171021469 /nfs/dbraw/zinc/02/14/69/171021469.db2.gz DNWHXHNKYKOFRJ-LRDDRELGSA-N 1 0 293.432 2.403 10 0 CEAERO COc1cc(C[NH2+]C[C@H](C(C)C)N(C)C)ccc1O ZINC000020145414 171030094 /nfs/dbraw/zinc/03/00/94/171030094.db2.gz CIXCIELFYCUFHS-CYBMUJFWSA-N 1 0 266.385 2.077 10 0 CEAERO [NH3+]CCN(Cc1ccccc1)C(=O)c1ccc(F)cc1 ZINC000020183612 171046463 /nfs/dbraw/zinc/04/64/63/171046463.db2.gz RAOPMGUFMUJTAB-UHFFFAOYSA-N 1 0 272.323 2.427 10 0 CEAERO COCCOCCC[NH2+][C@@H](C)c1ccc(O)cc1 ZINC000020192001 171058305 /nfs/dbraw/zinc/05/83/05/171058305.db2.gz RPSJTVBNUCUIGQ-LBPRGKRZSA-N 1 0 253.342 2.096 10 0 CEAERO [NH3+]CCOCCOc1ccc(Cl)cc1Cl ZINC000020221461 171082858 /nfs/dbraw/zinc/08/28/58/171082858.db2.gz NJVFUMJVNIGHKH-UHFFFAOYSA-N 1 0 250.125 2.348 10 0 CEAERO O=C(NCC1CC[NH2+]CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000020256825 171110757 /nfs/dbraw/zinc/11/07/57/171110757.db2.gz ZQMNKAGVCNSSIW-UHFFFAOYSA-N 1 0 291.439 2.254 10 0 in-vivo CEAERO [NH3+]C[C@H](c1ccc(Cl)cc1)N1CCSCC1 ZINC000020257081 171111740 /nfs/dbraw/zinc/11/17/40/171111740.db2.gz VNXJHTICRGIKSW-GFCCVEGCSA-N 1 0 256.802 2.389 10 0 CEAERO C[NH+](C)CC[C@@H](N)c1ccc(Br)cc1 ZINC000020273977 171130716 /nfs/dbraw/zinc/13/07/16/171130716.db2.gz DFYVDLMJSDMNMG-LLVKDONJSA-N 1 0 257.175 2.401 10 0 CEAERO C[C@H](C[NH3+])Cn1cc(Br)c(C(F)(F)F)n1 ZINC000020313595 171145238 /nfs/dbraw/zinc/14/52/38/171145238.db2.gz YHABIPFVLFCSFN-RXMQYKEDSA-N 1 0 286.095 2.259 10 0 CEAERO [NH3+]CCCNc1ncnc2sc3c(c21)CCCC3 ZINC000020321175 171149886 /nfs/dbraw/zinc/14/98/86/171149886.db2.gz SRNIJUFQIXNZAL-UHFFFAOYSA-N 1 0 262.382 2.331 10 0 CEAERO CCCCOCCO[C@H]1COc2ccccc2[C@@H]1[NH3+] ZINC000020509979 171230461 /nfs/dbraw/zinc/23/04/61/171230461.db2.gz KGZYTRPVENAREO-GJZGRUSLSA-N 1 0 265.353 2.281 10 0 CEAERO CCOC(=O)C[C@@H]([NH3+])c1ccc(OC(F)F)cc1 ZINC000020577678 171256225 /nfs/dbraw/zinc/25/62/25/171256225.db2.gz NFOBREVXWRUPRP-SNVBAGLBSA-N 1 0 259.252 2.241 10 0 CEAERO COc1cc([C@@H]2C[C@@H]2[C@@H](C)[NH3+])cc(OC)c1OC ZINC000020594450 171263296 /nfs/dbraw/zinc/26/32/96/171263296.db2.gz UBRKUULMDRJAIX-IEBDPFPHSA-N 1 0 251.326 2.163 10 0 CEAERO CCC[NH+](CCC)CC(=O)Nc1ccc(OC)cc1N ZINC000022151789 171359243 /nfs/dbraw/zinc/35/92/43/171359243.db2.gz CZQIVLSZMLVFLK-UHFFFAOYSA-N 1 0 279.384 2.338 10 0 CEAERO [NH3+]Cc1ccc(NC(=O)COc2cccc(F)c2)cc1 ZINC000022163209 171364492 /nfs/dbraw/zinc/36/44/92/171364492.db2.gz DVHNJLQMHHICTC-UHFFFAOYSA-N 1 0 274.295 2.302 10 0 CEAERO CC[C@@H]([NH3+])c1ccc(OCC(=O)N2CCCC2)cc1 ZINC000022164648 171365300 /nfs/dbraw/zinc/36/53/00/171365300.db2.gz NTQVKEWKNQBFAX-CQSZACIVSA-N 1 0 262.353 2.098 10 0 CEAERO C[C@@H]1CCC[C@H](NS(=O)(=O)c2ccccc2C[NH3+])[C@@H]1C ZINC000022165826 171365947 /nfs/dbraw/zinc/36/59/47/171365947.db2.gz QFFMHZXKRHPIGI-BZPMIXESSA-N 1 0 296.436 2.248 10 0 CEAERO C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccccc1C[NH3+] ZINC000022177187 171370893 /nfs/dbraw/zinc/37/08/93/171370893.db2.gz WFTNUEOUTXDLMM-VXGBXAGGSA-N 1 0 282.409 2.097 10 0 CEAERO CN(C)[C@H](C[NH3+])c1ccc(F)c(Br)c1 ZINC000022177469 171371727 /nfs/dbraw/zinc/37/17/27/171371727.db2.gz YDKHHTBYHRGNGB-SNVBAGLBSA-N 1 0 261.138 2.150 10 0 CEAERO CN(C)[C@@H](C[NH3+])c1cc(Br)ccc1F ZINC000022219042 171376954 /nfs/dbraw/zinc/37/69/54/171376954.db2.gz MYEGCPVPTYMWDW-JTQLQIEISA-N 1 0 261.138 2.150 10 0 CEAERO [NH3+]Cc1ccccc1S(=O)(=O)Nc1ccc(F)cc1F ZINC000022221890 171378434 /nfs/dbraw/zinc/37/84/34/171378434.db2.gz ZCDUZWAMMMCWNN-UHFFFAOYSA-N 1 0 298.314 2.224 10 0 CEAERO [NH3+][C@H](CN1CCOCC1)c1ccc2ccccc2c1 ZINC000022563546 171391409 /nfs/dbraw/zinc/39/14/09/171391409.db2.gz XUKYDJKOHHJDSZ-MRXNPFEDSA-N 1 0 256.349 2.172 10 0 CEAERO COc1ccc([C@H]([NH3+])COCC(F)(F)F)cc1OC ZINC000022567059 171392450 /nfs/dbraw/zinc/39/24/50/171392450.db2.gz CVVLDENDHGATLB-SECBINFHSA-N 1 0 279.258 2.283 10 0 CEAERO NC(=[NH2+])SCc1cc(Cl)c2c(c1)OCCO2 ZINC000029335498 171594732 /nfs/dbraw/zinc/59/47/32/171594732.db2.gz XTOHOKXPTDLQNB-UHFFFAOYSA-N 1 0 258.730 2.238 10 0 CEAERO CN(C(=O)c1c[nH]c2ccccc12)C1CC[NH+](C)CC1 ZINC000035134576 172000577 /nfs/dbraw/zinc/00/05/77/172000577.db2.gz HSYMYOXCJNHNJO-UHFFFAOYSA-N 1 0 271.364 2.334 10 0 CEAERO Fc1cccc(C[NH2+][C@H]2CN3CCC2CC3)c1F ZINC000035223673 172067861 /nfs/dbraw/zinc/06/78/61/172067861.db2.gz XYLAGPINSRUZML-ZDUSSCGKSA-N 1 0 252.308 2.149 10 0 CEAERO CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000035230854 172070900 /nfs/dbraw/zinc/07/09/00/172070900.db2.gz APMPKAQCVBSESU-AVGNSLFASA-N 1 0 252.402 2.460 10 0 CEAERO CCCCN(CC)c1nc2sccn2c1C[NH3+] ZINC000035429793 172198367 /nfs/dbraw/zinc/19/83/67/172198367.db2.gz LNVQUJZLGFVGKB-UHFFFAOYSA-N 1 0 252.387 2.481 10 0 CEAERO CC(C)[NH2+]Cc1c(N2CCCC2)nc2ccccn21 ZINC000035433848 172201835 /nfs/dbraw/zinc/20/18/35/172201835.db2.gz SZXKHWHCUGUADE-UHFFFAOYSA-N 1 0 258.369 2.433 10 0 CEAERO C[C@@H](O)c1c(F)cccc1N(C)C1CC[NH+](C)CC1 ZINC000035631316 172313588 /nfs/dbraw/zinc/31/35/88/172313588.db2.gz TYOUNUQPLDCUPE-LLVKDONJSA-N 1 0 266.360 2.409 10 0 CEAERO CCN(C1CC1)S(=O)(=O)c1ccc([C@@H](C)[NH2+]C)cc1 ZINC000035633728 172317118 /nfs/dbraw/zinc/31/71/18/172317118.db2.gz RUUJBPOLXLGCMC-LLVKDONJSA-N 1 0 282.409 2.140 10 0 CEAERO CC[NH2+]Cc1cc(Cl)cc(Cl)c1O[C@@H](C)C(N)=O ZINC000035662078 172340281 /nfs/dbraw/zinc/34/02/81/172340281.db2.gz NHRYLEGMOIOTBB-ZETCQYMHSA-N 1 0 291.178 2.356 10 0 CEAERO CN(Cc1ccco1)C(=O)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000035702107 172370424 /nfs/dbraw/zinc/37/04/24/172370424.db2.gz RHKZJAAYIJHAQR-KWCYVHTRSA-N 1 0 262.353 2.159 10 0 CEAERO C[C@H](NC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)c1ccco1 ZINC000035738278 172391456 /nfs/dbraw/zinc/39/14/56/172391456.db2.gz WZXTYRHSENRSEH-ZDEQEGDKSA-N 1 0 262.353 2.378 10 0 CEAERO CC(C)c1ccc2c(c1)[C@H]([NH3+])[C@H](C)CS2(=O)=O ZINC000035755743 172396599 /nfs/dbraw/zinc/39/65/99/172396599.db2.gz UEOUHOVNFXMWJR-NOZJJQNGSA-N 1 0 253.367 2.233 10 0 CEAERO C[C@@H]1C[C@@H]([NH2+]C2CC2)c2ccccc2S1(=O)=O ZINC000035760595 172398910 /nfs/dbraw/zinc/39/89/10/172398910.db2.gz SZGOOMLXUMKWPP-BXKDBHETSA-N 1 0 251.351 2.046 10 0 CEAERO CCn1cc(N[C@H](C)C2CC[NH+](CC)CC2)cn1 ZINC000035779788 172413318 /nfs/dbraw/zinc/41/33/18/172413318.db2.gz MUZRGJKWXJELSK-GFCCVEGCSA-N 1 0 250.390 2.435 10 0 CEAERO CCCNC(=O)N[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC000036263788 172556998 /nfs/dbraw/zinc/55/69/98/172556998.db2.gz FPPKSISQRJDKMJ-GFCCVEGCSA-N 1 0 253.390 2.151 10 0 CEAERO Cc1nnc(NCCC[NH2+]C2CC2)c2ccccc12 ZINC000036269444 172564110 /nfs/dbraw/zinc/56/41/10/172564110.db2.gz UYVMHDSQQPJXEY-UHFFFAOYSA-N 1 0 256.353 2.492 10 0 CEAERO CC[C@H]1CO[C@@H](c2ccc(OC)cc2OC)C[NH2+]1 ZINC000036672915 172650237 /nfs/dbraw/zinc/65/02/37/172650237.db2.gz CLWBGCRKLBTKHL-IINYFYTJSA-N 1 0 251.326 2.143 10 0 CEAERO Cc1ccc(C(=O)Nc2ccc(OCC[NH3+])cc2)o1 ZINC000036681969 172652744 /nfs/dbraw/zinc/65/27/44/172652744.db2.gz NGBZUWCOIZBFBT-UHFFFAOYSA-N 1 0 260.293 2.178 10 0 CEAERO CC(C)C[N@@H+]1CCO[C@@H](CSc2ccc(N)nc2)C1 ZINC000037192339 173021085 /nfs/dbraw/zinc/02/10/85/173021085.db2.gz RFMMVNYLWQZMHE-GFCCVEGCSA-N 1 0 281.425 2.113 10 0 CEAERO CC(C)(C)OC(=O)N[C@@H](C[NH3+])c1cc(F)ccc1F ZINC000037228269 173048015 /nfs/dbraw/zinc/04/80/15/173048015.db2.gz QTPBOOVRMRCRTN-NSHDSACASA-N 1 0 272.295 2.489 10 0 CEAERO C[NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000037242153 173057789 /nfs/dbraw/zinc/05/77/89/173057789.db2.gz VYMPXTGDMUZZNI-SECBINFHSA-N 1 0 260.259 2.383 10 0 CEAERO COC(=O)CC[NH2+][C@@H](C)c1c(C)cc(C)nc1C ZINC000037252240 173064189 /nfs/dbraw/zinc/06/41/89/173064189.db2.gz BSGHGDDHZZVFNA-NSHDSACASA-N 1 0 250.342 2.221 10 0 CEAERO CCCCCC(CCCCC)[NH2+]CCS(N)(=O)=O ZINC000037261877 173071806 /nfs/dbraw/zinc/07/18/06/173071806.db2.gz LTXMHTKIIWNKDD-UHFFFAOYSA-N 1 0 278.462 2.394 10 0 CEAERO COC1CC[NH+](CCCOc2cccc(N)c2)CC1 ZINC000037265611 173074271 /nfs/dbraw/zinc/07/42/71/173074271.db2.gz ZSWQDSIWQQCNMR-UHFFFAOYSA-N 1 0 264.369 2.149 10 0 CEAERO COC1CCN([C@H](C[NH3+])c2ccc(C)cc2C)CC1 ZINC000037265835 173074892 /nfs/dbraw/zinc/07/48/92/173074892.db2.gz JPPIRDARZKAMCW-MRXNPFEDSA-N 1 0 262.397 2.414 10 0 CEAERO C[N@H+](CCc1ccccn1)Cc1ccc(O)c(N)c1 ZINC000037272937 173084424 /nfs/dbraw/zinc/08/44/24/173084424.db2.gz OCFVQJZXZAGWIK-UHFFFAOYSA-N 1 0 257.337 2.044 10 0 CEAERO COC(=O)CCC[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000037286428 173092674 /nfs/dbraw/zinc/09/26/74/173092674.db2.gz QKSRBMWRWPTRFO-UHFFFAOYSA-N 1 0 251.370 2.498 10 0 CEAERO [NH3+]CCCN(C(=O)CC(F)(F)F)c1ccc(F)cc1 ZINC000037297958 173101670 /nfs/dbraw/zinc/10/16/70/173101670.db2.gz XUEWSIOJNJTTQI-UHFFFAOYSA-N 1 0 278.249 2.460 10 0 CEAERO CC(=O)N1CCC([NH2+][C@H](C)c2scnc2C)CC1 ZINC000037318017 173118315 /nfs/dbraw/zinc/11/83/15/173118315.db2.gz LQGMDBLUCYIKAQ-SNVBAGLBSA-N 1 0 267.398 2.113 10 0 CEAERO COC(=O)C[C@H]([NH3+])c1cc(Cl)c2c(c1)OCCCO2 ZINC000037324579 173125533 /nfs/dbraw/zinc/12/55/33/173125533.db2.gz DTEMPMJRTOFGCM-JTQLQIEISA-N 1 0 285.727 2.064 10 0 CEAERO O[C@@H](C[NH2+]C1CC1)COc1ccc2ccccc2c1 ZINC000037370703 173159781 /nfs/dbraw/zinc/15/97/81/173159781.db2.gz ZFBNETQMLOJQAM-HNNXBMFYSA-N 1 0 257.333 2.332 10 0 CEAERO CN(C)c1ccc(NC(=O)C[NH2+]C2CCCC2)cc1 ZINC000037386822 173169380 /nfs/dbraw/zinc/16/93/80/173169380.db2.gz XCEDNGFHBGTNMG-UHFFFAOYSA-N 1 0 261.369 2.223 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000037394583 173175461 /nfs/dbraw/zinc/17/54/61/173175461.db2.gz OAXSHWXRLKXFLE-MGPQQGTHSA-N 1 0 252.402 2.413 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000037395304 173175550 /nfs/dbraw/zinc/17/55/50/173175550.db2.gz JBTCYBSKDLRNGJ-VIFPVBQESA-N 1 0 298.770 2.438 10 0 CEAERO CSCc1ccc(C[NH2+][C@@H]2CN3CCC2CC3)o1 ZINC000037414524 173190898 /nfs/dbraw/zinc/19/08/98/173190898.db2.gz CLQXHBLOSHFEMA-CQSZACIVSA-N 1 0 266.410 2.326 10 0 CEAERO CSc1ccc([C@](C)([NH2+]C(C)C)C(N)=O)cc1 ZINC000037446606 173213360 /nfs/dbraw/zinc/21/33/60/173213360.db2.gz QKKFNEYSYQETKB-ZDUSSCGKSA-N 1 0 252.383 2.107 10 0 CEAERO [NH3+][C@H]1CCN(c2ccc(Br)cc2F)C1 ZINC000037483413 173228945 /nfs/dbraw/zinc/22/89/45/173228945.db2.gz GVAXBENFXNKKDU-QMMMGPOBSA-N 1 0 259.122 2.126 10 0 CEAERO O[C@H]1CCCC[C@H]1[NH+]1CCN(Cc2ccccc2)CC1 ZINC000037490602 173232221 /nfs/dbraw/zinc/23/22/21/173232221.db2.gz RHZYYYBROVMBMN-SJORKVTESA-N 1 0 274.408 2.108 10 0 CEAERO CCC[NH2+][C@](CC)(C(N)=O)c1cccc(Cl)c1 ZINC000037513847 173244930 /nfs/dbraw/zinc/24/49/30/173244930.db2.gz AIGHKRZSUVTXSD-ZDUSSCGKSA-N 1 0 254.761 2.430 10 0 CEAERO CC[NH+](CC)C[C@H]1CN(C(=O)c2ccc(C)cc2)CCO1 ZINC000037545235 173264688 /nfs/dbraw/zinc/26/46/88/173264688.db2.gz VQQJXRPXEBBDKK-INIZCTEOSA-N 1 0 290.407 2.178 10 0 CEAERO C[NH2+][C@@H]1CCN(c2cc(OC)c(Cl)cc2OC)C1 ZINC000037635745 173583398 /nfs/dbraw/zinc/58/33/98/173583398.db2.gz HAFDNNGYOBURAK-SECBINFHSA-N 1 0 270.760 2.155 10 0 CEAERO CCOc1cccc(CC[NH3+])c1OCc1ccno1 ZINC000037721910 173640519 /nfs/dbraw/zinc/64/05/19/173640519.db2.gz JJMVTBJGXKKGFU-UHFFFAOYSA-N 1 0 262.309 2.154 10 0 CEAERO C[C@@H](NC(=O)c1ccncc1)c1ccc(C[NH3+])cc1 ZINC000037747620 173669810 /nfs/dbraw/zinc/66/98/10/173669810.db2.gz ZQKOYKLMWDINAU-LLVKDONJSA-N 1 0 255.321 2.031 10 0 CEAERO CN(CC1CC1)c1c(C(N)=[NH2+])cnc2ccccc21 ZINC000037925640 173864488 /nfs/dbraw/zinc/86/44/88/173864488.db2.gz MPIUWNQSMSNFIC-UHFFFAOYSA-N 1 0 254.337 2.365 10 0 CEAERO NC(=O)[C@H]([NH2+]C1CCCC1)c1cc2c(c(Cl)c1)OCO2 ZINC000037969079 173916617 /nfs/dbraw/zinc/91/66/17/173916617.db2.gz WTXAYDQQQAJJPE-GFCCVEGCSA-N 1 0 296.754 2.127 10 0 CEAERO C[C@H]([NH2+]CCc1ccco1)C(=O)Nc1ccccc1 ZINC000037975571 173930584 /nfs/dbraw/zinc/93/05/84/173930584.db2.gz IACOXCSFGROJTA-LBPRGKRZSA-N 1 0 258.321 2.439 10 0 CEAERO CC[NH+]1CCC(N(C)C(=O)c2cc(Cl)ccn2)CC1 ZINC000037981482 173941730 /nfs/dbraw/zinc/94/17/30/173941730.db2.gz UQJOFMFNOZWXJB-UHFFFAOYSA-N 1 0 281.787 2.291 10 0 CEAERO CCCCCNC(=O)[C@H](C)N(CC[NH3+])Cc1ccccc1 ZINC000038033185 174030820 /nfs/dbraw/zinc/03/08/20/174030820.db2.gz ICCQXEKPIRLBIO-HNNXBMFYSA-N 1 0 291.439 2.142 10 0 CEAERO CCCCC[C@@H](C)NC(=O)[C@H]1CCCN1C1CC[NH2+]CC1 ZINC000038043223 174050040 /nfs/dbraw/zinc/05/00/40/174050040.db2.gz BQAGNTVHVKUTRV-GDBMZVCRSA-N 1 0 295.471 2.288 10 0 CEAERO O[C@@H](C[NH2+]C[C@H]1CCCOC1)COc1ccc(Cl)cc1 ZINC000038045359 174053778 /nfs/dbraw/zinc/05/37/78/174053778.db2.gz VVGJQHRIQKTBLE-OCCSQVGLSA-N 1 0 299.798 2.096 10 0 CEAERO O[C@@H](C[NH2+]C[C@@H]1CCCOC1)COc1ccccc1Cl ZINC000038045353 174053827 /nfs/dbraw/zinc/05/38/27/174053827.db2.gz OXKOGQSPZAIEIW-STQMWFEESA-N 1 0 299.798 2.096 10 0 CEAERO CCn1c(C[NH2+][C@@H]2CCC[C@H](O)C2)nc2ccccc21 ZINC000038046838 174055867 /nfs/dbraw/zinc/05/58/67/174055867.db2.gz IJQFWKJZEICZEN-OLZOCXBDSA-N 1 0 273.380 2.449 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)c1cc(Cl)ccc1O ZINC000038049213 174059918 /nfs/dbraw/zinc/05/99/18/174059918.db2.gz ZGURLHBPHUAZQU-QWRGUYRKSA-N 1 0 268.744 2.045 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc(Cl)cc1 ZINC000038049525 174060536 /nfs/dbraw/zinc/06/05/36/174060536.db2.gz WCHIFKNYNJRFPB-OLZOCXBDSA-N 1 0 266.772 2.269 10 0 CEAERO CCS(=O)(=O)c1ccc(N[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000038050827 174062154 /nfs/dbraw/zinc/06/21/54/174062154.db2.gz MEYOHTYNWQIXBV-KBPBESRZSA-N 1 0 282.409 2.162 10 0 CEAERO CC(C)C[N@@H+]1CCO[C@@H](COc2ccccc2N)C1 ZINC000038055918 174067054 /nfs/dbraw/zinc/06/70/54/174067054.db2.gz MVPRHFSZMANAEQ-CYBMUJFWSA-N 1 0 264.369 2.004 10 0 CEAERO CC[C@@H](C)[NH2+][C@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000038065672 174076744 /nfs/dbraw/zinc/07/67/44/174076744.db2.gz VHFZWFXJVZSBQP-RNCFNFMXSA-N 1 0 254.761 2.429 10 0 CEAERO O=C(CC1CC[NH2+]CC1)N1CCC[C@@H]1c1ccc[nH]1 ZINC000038075945 174086231 /nfs/dbraw/zinc/08/62/31/174086231.db2.gz WMRHCYZRTKVCFN-CQSZACIVSA-N 1 0 261.369 2.068 10 0 CEAERO COC(=O)c1ccccc1C[NH2+]CC[C@@H]1CCCO1 ZINC000038096199 174110401 /nfs/dbraw/zinc/11/04/01/174110401.db2.gz ONSMPRQFZSNZRE-ZDUSSCGKSA-N 1 0 263.337 2.132 10 0 CEAERO C[C@@H]1c2ccsc2CCN1C(=O)[C@@](C)([NH3+])C1CC1 ZINC000038100931 174115919 /nfs/dbraw/zinc/11/59/19/174115919.db2.gz XCZBAWWPPJUPSK-OTYXRUKQSA-N 1 0 264.394 2.321 10 0 CEAERO CC(C)(C)[NH2+]C[C@H](O)COc1cccc2c1CC=CC2 ZINC000038227086 174137526 /nfs/dbraw/zinc/13/75/26/174137526.db2.gz JDOKKQREDFLVNP-AWEZNQCLSA-N 1 0 275.392 2.469 10 0 CEAERO C[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1CCCO ZINC000040402516 174253788 /nfs/dbraw/zinc/25/37/88/174253788.db2.gz FLYRNSSZZOPXBE-UHFFFAOYSA-N 1 0 287.285 2.157 10 0 CEAERO CCOCCn1c2ccc(Cl)cc2nc1CC[NH3+] ZINC000040405311 174254101 /nfs/dbraw/zinc/25/41/01/174254101.db2.gz QZNZPDJSKAOUNY-UHFFFAOYSA-N 1 0 267.760 2.227 10 0 CEAERO COC(=O)C[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000040491081 174292387 /nfs/dbraw/zinc/29/23/87/174292387.db2.gz LHQOARUMXRQGBM-QWRGUYRKSA-N 1 0 281.352 2.306 10 0 CEAERO C[C@H]([NH3+])c1ccc(S(=O)(=O)NCC(C)(C)C)cc1 ZINC000040495022 174293629 /nfs/dbraw/zinc/29/36/29/174293629.db2.gz HSNRACSYXZJGLA-JTQLQIEISA-N 1 0 270.398 2.031 10 0 CEAERO C[NH2+][C@H](C)c1ccc(S(=O)(=O)NCC(C)(C)C)cc1 ZINC000040495025 174293663 /nfs/dbraw/zinc/29/36/63/174293663.db2.gz JVQGXKQVBKOFJD-LLVKDONJSA-N 1 0 284.425 2.291 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(Cl)cc2N)C1 ZINC000040501639 174297858 /nfs/dbraw/zinc/29/78/58/174297858.db2.gz ZAOUFULJCPMXME-NSHDSACASA-N 1 0 281.787 2.136 10 0 CEAERO Cc1nc(C)c([C@@H](C)[NH2+][C@@H](C)C(=O)NC2CC2)s1 ZINC000040518742 174308544 /nfs/dbraw/zinc/30/85/44/174308544.db2.gz NSMVCCGOCJUPEV-APPZFPTMSA-N 1 0 267.398 2.078 10 0 CEAERO Cc1nc(C)c([C@@H](C)NC(=O)CC2CC[NH2+]CC2)s1 ZINC000040519078 174308656 /nfs/dbraw/zinc/30/86/56/174308656.db2.gz GRWHICYFRKDPPE-SNVBAGLBSA-N 1 0 281.425 2.327 10 0 CEAERO C[NH2+]C[C@H]1CCCN(C(=O)c2c[nH]c3ccccc23)C1 ZINC000040595770 174348535 /nfs/dbraw/zinc/34/85/35/174348535.db2.gz QNUNKQSZRIAKDY-GFCCVEGCSA-N 1 0 271.364 2.240 10 0 CEAERO C[NH2+]C[C@@H]1CCCN(Cc2ncc(C(C)(C)C)o2)C1 ZINC000040600334 174350826 /nfs/dbraw/zinc/35/08/26/174350826.db2.gz VHZGHNBYVRAMIW-LBPRGKRZSA-N 1 0 265.401 2.404 10 0 CEAERO Cc1sc(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1N ZINC000040620615 174354840 /nfs/dbraw/zinc/35/48/40/174354840.db2.gz MBMQGRVDUIBVOB-LLVKDONJSA-N 1 0 281.425 2.099 10 0 CEAERO C[C@@H]([NH2+]Cc1cc2c(s1)CCC2)C(=O)N1CCCC1 ZINC000040627604 174357031 /nfs/dbraw/zinc/35/70/31/174357031.db2.gz ZZWUWXRGAPYIAJ-LLVKDONJSA-N 1 0 278.421 2.337 10 0 CEAERO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000040630216 174358046 /nfs/dbraw/zinc/35/80/46/174358046.db2.gz PCJBEQJGCICIBL-WDEREUQCSA-N 1 0 289.162 2.309 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000040631117 174358508 /nfs/dbraw/zinc/35/85/08/174358508.db2.gz PSMLCLYWKVFNLX-XVKPBYJWSA-N 1 0 289.162 2.309 10 0 CEAERO COc1ccc(-c2c[nH]c([C@@H]3C[C@@H](OC)C[NH2+]3)n2)cc1 ZINC000040637885 174361795 /nfs/dbraw/zinc/36/17/95/174361795.db2.gz ZZXGEUULKASWIA-OLZOCXBDSA-N 1 0 273.336 2.135 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](c2nc(-c3ccccc3C)c[nH]2)C1 ZINC000040637846 174362143 /nfs/dbraw/zinc/36/21/43/174362143.db2.gz IWWHVBKSEFUFMV-DGCLKSJQSA-N 1 0 257.337 2.435 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCCN(C)C1)c1ccc2c(c1)CCO2 ZINC000040673089 174371473 /nfs/dbraw/zinc/37/14/73/174371473.db2.gz ICYQDFWEVCEBAT-SWLSCSKDSA-N 1 0 260.381 2.366 10 0 CEAERO Nc1c(Nc2cc[nH+]cc2)ncnc1Oc1cccnc1 ZINC000040687658 174375961 /nfs/dbraw/zinc/37/59/61/174375961.db2.gz OGAWYESASHXBKP-UHFFFAOYSA-N 1 0 280.291 2.385 10 0 CEAERO COC(=O)C1(Nc2ccccc2Cl)CC[NH2+]CC1 ZINC000040695306 174378360 /nfs/dbraw/zinc/37/83/60/174378360.db2.gz OWBOVKDGJUSVHL-UHFFFAOYSA-N 1 0 268.744 2.047 10 0 CEAERO [NH3+][C@H](CCO)c1nc2ccccc2n1-c1ccccc1 ZINC000040710256 174380574 /nfs/dbraw/zinc/38/05/74/174380574.db2.gz KFRRVTZOWZVZCX-CYBMUJFWSA-N 1 0 267.332 2.408 10 0 CEAERO [NH3+]Cc1cccc(OCCCOc2ccc(CO)cc2)c1 ZINC000040710959 174381118 /nfs/dbraw/zinc/38/11/18/174381118.db2.gz WZPDKOIRCCIJON-UHFFFAOYSA-N 1 0 287.359 2.486 10 0 CEAERO CN(C)c1cccc(O[C@@H](CC[NH3+])C(F)(F)F)c1 ZINC000040714217 174381873 /nfs/dbraw/zinc/38/18/73/174381873.db2.gz CFLXIQGCNMKYMC-NSHDSACASA-N 1 0 262.275 2.411 10 0 CEAERO COC(=O)c1sc(N[C@@H]2CCC[N@H+](C)C2)nc1Cl ZINC000040716511 174383464 /nfs/dbraw/zinc/38/34/64/174383464.db2.gz TWTHTPNRWNMSQN-SSDOTTSWSA-N 1 0 289.788 2.089 10 0 CEAERO Cc1cc(=O)n(C[C@H]([NH3+])c2ccc3ccccc3c2)cn1 ZINC000040728131 174387984 /nfs/dbraw/zinc/38/79/84/174387984.db2.gz HMYJXCYXDMXTLJ-INIZCTEOSA-N 1 0 279.343 2.405 10 0 CEAERO Cc1nn(CCOc2ccc(C[NH3+])cc2)c(C)c1C ZINC000040729008 174388131 /nfs/dbraw/zinc/38/81/31/174388131.db2.gz NQBGPYMSHBAJPI-UHFFFAOYSA-N 1 0 259.353 2.346 10 0 CEAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1O ZINC000040740696 174390365 /nfs/dbraw/zinc/39/03/65/174390365.db2.gz ONFKDMRTJNZIMP-ZACCUICWSA-N 1 0 280.755 2.058 10 0 CEAERO CCCN(Cc1cc(C)no1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748643 174394055 /nfs/dbraw/zinc/39/40/55/174394055.db2.gz LWCGSPGQYVSBBZ-PBWFPOADSA-N 1 0 263.385 2.478 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(F)cc1 ZINC000040749790 174394465 /nfs/dbraw/zinc/39/44/65/174394465.db2.gz RVFBJAZWZNQJOK-VGPLMAKISA-N 1 0 263.316 2.312 10 0 CEAERO COc1c(C)cnc(CN2[C@@H]3CC[C@H]2CC([NH3+])C3)c1C ZINC000040750383 174395240 /nfs/dbraw/zinc/39/52/40/174395240.db2.gz RXBBRTPKNHWARS-AGUYFDCRSA-N 1 0 275.396 2.161 10 0 CEAERO CC(C)(C)c1nc(Cn2cc(C(C)(C)[NH3+])nn2)cs1 ZINC000070118045 414765584 /nfs/dbraw/zinc/76/55/84/414765584.db2.gz QMCRNPGPPFUCIG-UHFFFAOYSA-N 1 0 279.413 2.274 10 0 CEAERO C[C@H]1CCCN(c2cnc3ccccc3n2)[C@@H]1C[NH3+] ZINC000070178404 414768121 /nfs/dbraw/zinc/76/81/21/414768121.db2.gz IJTNSLQYHNUEQR-SMDDNHRTSA-N 1 0 256.353 2.193 10 0 CEAERO CC[C@@H]1C[N@H+](C[C@H](O)COCc2ccccc2)[C@@H](C)CO1 ZINC000403847864 414769340 /nfs/dbraw/zinc/76/93/40/414769340.db2.gz RXOIKLHCIBPNBA-BHYGNILZSA-N 1 0 293.407 2.063 10 0 CEAERO Fc1cc(Cl)ccc1CN1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404289476 414778396 /nfs/dbraw/zinc/77/83/96/414778396.db2.gz ZPDPTFPMDXHCLM-KBPBESRZSA-N 1 0 284.762 2.042 10 0 CEAERO Fc1ccc(CN2CC[C@H]3OCC[NH2+][C@@H]3C2)cc1Cl ZINC000404253517 414779606 /nfs/dbraw/zinc/77/96/06/414779606.db2.gz KNJNNGNZBPWBBA-ZIAGYGMSSA-N 1 0 284.762 2.042 10 0 CEAERO CCN(Cc1ccc(C)cc1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000662861960 414779708 /nfs/dbraw/zinc/77/97/08/414779708.db2.gz CGONOTBFMYFTEW-HUUCEWRRSA-N 1 0 260.381 2.471 10 0 CEAERO [NH3+]C1CCC(C(=O)N2CCC[C@@H](CCF)C2)CC1 ZINC000662881436 414786073 /nfs/dbraw/zinc/78/60/73/414786073.db2.gz YZIZPCGVIUNENN-HIFPTAJRSA-N 1 0 256.365 2.102 10 0 CEAERO CCCN(CC[NH3+])C(=O)c1cc(C)nc2ccccc21 ZINC000041160615 174502582 /nfs/dbraw/zinc/50/25/82/174502582.db2.gz SQCKBURYSYCURM-UHFFFAOYSA-N 1 0 271.364 2.354 10 0 CEAERO C[C@@H]1C[NH2+]C(C)(C)CN1CCc1ccccc1F ZINC000041307364 174516251 /nfs/dbraw/zinc/51/62/51/174516251.db2.gz WNOQHSMFNFSYFN-GFCCVEGCSA-N 1 0 250.361 2.441 10 0 CEAERO OC1(Cc2ccc(Br)cc2)CC[NH2+]CC1 ZINC000041391189 174545095 /nfs/dbraw/zinc/54/50/95/174545095.db2.gz AUWQNLMIKXVAMN-UHFFFAOYSA-N 1 0 270.170 2.106 10 0 CEAERO C[C@]1(C(=O)N2CCC[C@H](C3CCC3)C2)CCC[NH2+]1 ZINC000662920207 414801635 /nfs/dbraw/zinc/80/16/35/414801635.db2.gz RUIXTIXZYBESAW-DZGCQCFKSA-N 1 0 250.386 2.167 10 0 CEAERO C[NH+](C)CCC(=O)NC(C)(C)c1ccccc1F ZINC000041536517 174566284 /nfs/dbraw/zinc/56/62/84/174566284.db2.gz JQZLITYEQCGTSD-UHFFFAOYSA-N 1 0 252.333 2.129 10 0 CEAERO CN(C(=O)c1cccc(Cl)c1)[C@H](C[NH3+])C(F)(F)F ZINC000662976248 414815810 /nfs/dbraw/zinc/81/58/10/414815810.db2.gz MSGMONHOGOWSKS-SECBINFHSA-N 1 0 280.677 2.302 10 0 CEAERO Cc1c(F)cccc1C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662987776 414818824 /nfs/dbraw/zinc/81/88/24/414818824.db2.gz YWFYCPJRWFVACA-JTQLQIEISA-N 1 0 278.249 2.096 10 0 CEAERO CN(C(=O)[C@@H]1CCCC2(CC2)C1)[C@@H](C[NH3+])C(F)(F)F ZINC000662986386 414819435 /nfs/dbraw/zinc/81/94/35/414819435.db2.gz DLCPEWMYYSDLAR-ZJUUUORDSA-N 1 0 278.318 2.305 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)c1cc(C)ccc1Br ZINC000304242973 414849737 /nfs/dbraw/zinc/84/97/37/414849737.db2.gz DRGDSCWWPOAPNH-VIFPVBQESA-N 1 0 285.185 2.095 10 0 CEAERO CC[C@H]1CN(C(=O)Nc2cccc([C@H](C)[NH3+])c2)CCO1 ZINC000041716029 174615369 /nfs/dbraw/zinc/61/53/69/174615369.db2.gz WTLDPJGQVOKYEG-FZMZJTMJSA-N 1 0 277.368 2.349 10 0 CEAERO COCCOCCn1c(C)cc2c1CC(C)(C)C[C@H]2[NH3+] ZINC000041732675 174619972 /nfs/dbraw/zinc/61/99/72/174619972.db2.gz YLGLZZMHKRCMFR-CQSZACIVSA-N 1 0 280.412 2.432 10 0 CEAERO C[C@H]1Cc2ccccc2N1C(=O)C1CCC([NH3+])CC1 ZINC000311112055 414858190 /nfs/dbraw/zinc/85/81/90/414858190.db2.gz CTOOOFIBVDGWEV-DCBWTQNWSA-N 1 0 258.365 2.482 10 0 CEAERO C[C@@H](Cc1ccsc1)NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000310822180 414858327 /nfs/dbraw/zinc/85/83/27/414858327.db2.gz JYEDXHBEJHGZAZ-WCQYABFASA-N 1 0 266.410 2.328 10 0 CEAERO COc1cc(F)cc(C[NH2+][C@@H]2CCC[C@H](O)C2)c1 ZINC000312250817 414862663 /nfs/dbraw/zinc/86/26/63/414862663.db2.gz BFWRUKFNMRNSEG-OLZOCXBDSA-N 1 0 253.317 2.227 10 0 CEAERO CC1(C)CCCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CC1 ZINC000653096592 414905049 /nfs/dbraw/zinc/90/50/49/414905049.db2.gz PQNUAZRKOOJKLJ-GHMZBOCLSA-N 1 0 292.345 2.423 10 0 CEAERO O=C(Nc1cccc(F)c1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653056349 414889726 /nfs/dbraw/zinc/88/97/26/414889726.db2.gz BHLXJSIGFJCDNZ-NXEZZACHSA-N 1 0 276.233 2.162 10 0 CEAERO CC[C@H](C)C[C@H](C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653091963 414903878 /nfs/dbraw/zinc/90/38/78/414903878.db2.gz OBHKNOKVXIHYFD-UKKRHICBSA-N 1 0 280.334 2.325 10 0 CEAERO C[C@H]1CCC[C@@H](N(C)C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653446030 414997534 /nfs/dbraw/zinc/99/75/34/414997534.db2.gz LCBIYOYLSDXXQT-IRCOFANPSA-N 1 0 292.345 2.421 10 0 CEAERO CN1C[C@@H](C[NH2+]Cc2ccc(Br)cc2)CC1=O ZINC000657693684 415048708 /nfs/dbraw/zinc/04/87/08/415048708.db2.gz FIEUXBZCCMHGSO-LLVKDONJSA-N 1 0 297.196 2.017 10 0 CEAERO CN1C[C@@H](C[NH2+]CC2CCC(C(F)(F)F)CC2)CC1=O ZINC000657694537 415050739 /nfs/dbraw/zinc/05/07/39/415050739.db2.gz FFOJHMJGHSURNM-MOENNCHZSA-N 1 0 292.345 2.423 10 0 CEAERO CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC(=O)N(C)C2)C1 ZINC000657694908 415050915 /nfs/dbraw/zinc/05/09/15/415050915.db2.gz HUEMZRWOWAOJFJ-MJBXVCDLSA-N 1 0 252.402 2.269 10 0 CEAERO CCC(CC)N(CCOC)c1ncccc1C(N)=[NH2+] ZINC000042679953 174834661 /nfs/dbraw/zinc/83/46/61/174834661.db2.gz FPYJUFQZEKVLEY-UHFFFAOYSA-N 1 0 264.373 2.007 10 0 CEAERO CCCN(CC(F)(F)F)C(=O)[C@H]1CC[C@H](C)[NH2+]C1 ZINC000042781245 174877377 /nfs/dbraw/zinc/87/73/77/174877377.db2.gz DSALXHVABOGCOK-UWVGGRQHSA-N 1 0 266.307 2.175 10 0 CEAERO CC[C@H](O)COc1cc2c(cc1C[NH2+]C(C)C)OCO2 ZINC000042874842 174900052 /nfs/dbraw/zinc/90/00/52/174900052.db2.gz BFHGVQMPSDIWSO-LBPRGKRZSA-N 1 0 281.352 2.063 10 0 CEAERO Cc1ccc([C@H]([C@H](C)[NH3+])N2CCOCC2(C)C)cc1 ZINC000042909070 174909384 /nfs/dbraw/zinc/90/93/84/174909384.db2.gz XTKFVFCDROEYDV-ZFWWWQNUSA-N 1 0 262.397 2.494 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccc(F)cc1)N(CCOC)CCOC ZINC000042914524 174913648 /nfs/dbraw/zinc/91/36/48/174913648.db2.gz ANDGDWPNAZTXLF-HOTGVXAUSA-N 1 0 298.402 2.199 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1nnnn1C)c1cccc(C)c1 ZINC000042969570 174932981 /nfs/dbraw/zinc/93/29/81/174932981.db2.gz UEKCGIPEPPQCNW-NEPJUHHUSA-N 1 0 277.397 2.089 10 0 CEAERO COCCN([C@H](c1ccccc1F)[C@@H](C)[NH3+])C1CC1 ZINC000043044998 174956542 /nfs/dbraw/zinc/95/65/42/174956542.db2.gz ZZSWRIJSSBFSTC-ABAIWWIYSA-N 1 0 266.360 2.325 10 0 CEAERO COc1ccccc1[C@@H]([C@@H](C)[NH3+])N1CCSCC1 ZINC000043097024 174965021 /nfs/dbraw/zinc/96/50/21/174965021.db2.gz SZYJCMYHQYJFDC-BXUZGUMPSA-N 1 0 266.410 2.132 10 0 CEAERO COc1ccccc1[C@@H](Sc1nncn1C)[C@H](C)[NH3+] ZINC000043101053 174967426 /nfs/dbraw/zinc/96/74/26/174967426.db2.gz CQHAZKYZJFYCQC-CABZTGNLSA-N 1 0 278.381 2.004 10 0 CEAERO CC[C@@H]([NH3+])[C@H](SCCO)c1ccccc1OC ZINC000043101661 174967949 /nfs/dbraw/zinc/96/79/49/174967949.db2.gz UQDVWQGGWXBPOB-DGCLKSJQSA-N 1 0 255.383 2.199 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1cnn(C)c1)n1c(C)nc2ccccc21 ZINC000043232641 174986490 /nfs/dbraw/zinc/98/64/90/174986490.db2.gz JPVHFTHNXNZFBV-BBRMVZONSA-N 1 0 283.379 2.405 10 0 CEAERO [NH3+][C@H](c1ccccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000043299902 175000426 /nfs/dbraw/zinc/00/04/26/175000426.db2.gz PSMBNAWYTCOPES-KCJUWKMLSA-N 1 0 293.310 2.140 10 0 CEAERO CCCCCC[C@@H]([NH2+]CC)[C@@H]1CCS(=O)(=O)C1 ZINC000043300866 175001431 /nfs/dbraw/zinc/00/14/31/175001431.db2.gz AJIUAKCMVJVXLR-CHWSQXEVSA-N 1 0 261.431 2.370 10 0 CEAERO CC[NH2+][C@H](c1ccc(CC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300950 175001474 /nfs/dbraw/zinc/00/14/74/175001474.db2.gz ZCDYQZDCYKUOOQ-HUUCEWRRSA-N 1 0 281.421 2.334 10 0 CEAERO CC[NH2+][C@H](c1ccc(C)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043301047 175002074 /nfs/dbraw/zinc/00/20/74/175002074.db2.gz LLBKZBYUAXVOAB-LSDHHAIUSA-N 1 0 281.421 2.389 10 0 CEAERO CCCCC[C@H]([NH2+]CCC)[C@@H]1CCS(=O)(=O)C1 ZINC000043301415 175002100 /nfs/dbraw/zinc/00/21/00/175002100.db2.gz CAWASYISNPXUTH-OLZOCXBDSA-N 1 0 261.431 2.370 10 0 CEAERO CC[C@@H]1CN([C@@H](C[NH3+])c2cccc(C)c2C)CCO1 ZINC000043314643 175004949 /nfs/dbraw/zinc/00/49/49/175004949.db2.gz BZBVMZICURKKJD-ZBFHGGJFSA-N 1 0 262.397 2.414 10 0 CEAERO CCC[C@H]([NH3+])C(=O)Nc1cc(OC)ccc1Cl ZINC000043318630 175005674 /nfs/dbraw/zinc/00/56/74/175005674.db2.gz KKLGFHRGHMUXSQ-JTQLQIEISA-N 1 0 256.733 2.415 10 0 CEAERO Cc1c(F)cccc1NS(=O)(=O)c1cccc(C[NH3+])c1 ZINC000043321552 175006142 /nfs/dbraw/zinc/00/61/42/175006142.db2.gz LSOGUIVQZQXNPB-UHFFFAOYSA-N 1 0 294.351 2.394 10 0 CEAERO CN(C)C(=O)c1cc(N[C@H]2CCC[NH2+]C2)ccc1Cl ZINC000043326378 175007464 /nfs/dbraw/zinc/00/74/64/175007464.db2.gz ACOBHMWMDOXARG-NSHDSACASA-N 1 0 281.787 2.206 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccco1)N(CC)[C@@H](C)COC ZINC000043336292 175011963 /nfs/dbraw/zinc/01/19/63/175011963.db2.gz NJECBXIMMJSFLS-SCRDCRAPSA-N 1 0 254.374 2.415 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccccn1)N(C)CCc1ccccn1 ZINC000043338988 175013156 /nfs/dbraw/zinc/01/31/56/175013156.db2.gz GVTKYZQAQCZRNH-NVXWUHKLSA-N 1 0 284.407 2.430 10 0 CEAERO [NH3+]C[C@H](Oc1ccc(F)cc1F)c1cccnc1 ZINC000043349194 175019131 /nfs/dbraw/zinc/01/91/31/175019131.db2.gz GSNDEUOFXCTVID-ZDUSSCGKSA-N 1 0 250.248 2.439 10 0 CEAERO C[C@H]([NH3+])[C@H](Oc1ccc(CO)cc1)c1cccnc1 ZINC000043351424 175019755 /nfs/dbraw/zinc/01/97/55/175019755.db2.gz UCFOSZYIVDELHQ-NHYWBVRUSA-N 1 0 258.321 2.041 10 0 CEAERO CC[C@H]([NH3+])[C@H](Oc1ccc(CO)cc1)c1cccnc1 ZINC000043351432 175019900 /nfs/dbraw/zinc/01/99/00/175019900.db2.gz TWHVWIOJEVVUEL-JKSUJKDBSA-N 1 0 272.348 2.431 10 0 CEAERO CN(Cc1cccc(F)c1)[C@H](C[NH3+])c1ccncc1 ZINC000043353200 175020258 /nfs/dbraw/zinc/02/02/58/175020258.db2.gz ZRBRDZBBFICUKP-OAHLLOKOSA-N 1 0 259.328 2.353 10 0 CEAERO Cc1nnc(S[C@H](c2cccnc2)[C@H](C)[NH3+])s1 ZINC000043352676 175020356 /nfs/dbraw/zinc/02/03/56/175020356.db2.gz VGZBFNYICQAVCV-XVKPBYJWSA-N 1 0 266.395 2.422 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccncc1)N(C)C[C@@H]1CCCCO1 ZINC000043354152 175021294 /nfs/dbraw/zinc/02/12/94/175021294.db2.gz VTTJEIYVHPOQFW-ARFHVFGLSA-N 1 0 277.412 2.361 10 0 CEAERO C[C@H]([NH3+])[C@H](c1ccncc1)N(CC(F)(F)F)C1CC1 ZINC000043354827 175022029 /nfs/dbraw/zinc/02/20/29/175022029.db2.gz MLQPKZCLVNSPLE-JOYOIKCWSA-N 1 0 273.302 2.497 10 0 CEAERO C[C@H]([NH3+])[C@H](OCCc1ccccn1)c1ccncc1 ZINC000043356052 175023352 /nfs/dbraw/zinc/02/33/52/175023352.db2.gz OHRAMZAKJAVUKL-WFASDCNBSA-N 1 0 257.337 2.124 10 0 CEAERO CCCCN(CCO)[C@@H](c1ccc(C)o1)[C@@H](C)[NH3+] ZINC000043364868 175025266 /nfs/dbraw/zinc/02/52/66/175025266.db2.gz UEAXFYIMSKYFDB-TZMCWYRMSA-N 1 0 254.374 2.071 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)N1CCN(C2CC2)CC1 ZINC000043364837 175025395 /nfs/dbraw/zinc/02/53/95/175025395.db2.gz SWXYBOVIUHHSJP-GDBMZVCRSA-N 1 0 277.412 2.146 10 0 CEAERO C[C@H]([NH3+])[C@H](N(C)Cc1cccs1)C(F)(F)F ZINC000043377212 175030048 /nfs/dbraw/zinc/03/00/48/175030048.db2.gz LTUFNXJANNOCTG-CBAPKCEASA-N 1 0 252.305 2.458 10 0 CEAERO CC[C@@H]([NH3+])[C@H](N(C)Cc1cccnc1)C(F)(F)F ZINC000043377296 175030266 /nfs/dbraw/zinc/03/02/66/175030266.db2.gz STWAYIUDLACKNP-MNOVXSKESA-N 1 0 261.291 2.182 10 0 CEAERO COc1cccc(CN(C)[C@@H]([C@@H](C)[NH3+])C(F)(F)F)c1 ZINC000043378177 175030467 /nfs/dbraw/zinc/03/04/67/175030467.db2.gz KXOVHZZSAUNAPE-SKDRFNHKSA-N 1 0 276.302 2.405 10 0 CEAERO CCOC1CCN([C@@H]([C@H]([NH3+])CC)C(F)(F)F)CC1 ZINC000043377985 175030530 /nfs/dbraw/zinc/03/05/30/175030530.db2.gz XPXXHKRHCVUJSD-MNOVXSKESA-N 1 0 268.323 2.156 10 0 CEAERO CC[C@@H]([NH3+])[C@H](n1cc(Br)cn1)C(F)(F)F ZINC000043383089 175031306 /nfs/dbraw/zinc/03/13/06/175031306.db2.gz OZSQGNNEWDUVHM-RQJHMYQMSA-N 1 0 286.095 2.486 10 0 CEAERO C[C@@H]([NH3+])[C@H](OCCCc1ccncc1)C(F)(F)F ZINC000043384887 175031834 /nfs/dbraw/zinc/03/18/34/175031834.db2.gz CFEVETHRBSFJGN-KOLCDFICSA-N 1 0 262.275 2.309 10 0 CEAERO C[C@@H]([NH3+])[C@H](Sc1nnnn1C1CCCC1)C(F)(F)F ZINC000043385791 175032091 /nfs/dbraw/zinc/03/20/91/175032091.db2.gz SBQZXYHLESXQFA-SVRRBLITSA-N 1 0 295.334 2.158 10 0 CEAERO O=S1(=O)CCC([NH2+]Cc2ccc(Cl)c(F)c2)CC1 ZINC000043388907 175032847 /nfs/dbraw/zinc/03/28/47/175032847.db2.gz ZCZDUSKHRXGUMA-UHFFFAOYSA-N 1 0 291.775 2.146 10 0 CEAERO Oc1ccc(C[NH2+]CCCn2ccnc2)cc1Cl ZINC000043477428 175054790 /nfs/dbraw/zinc/05/47/90/175054790.db2.gz DPBKINVPNIKEGL-UHFFFAOYSA-N 1 0 265.744 2.422 10 0 CEAERO CCCn1c2cccc(F)c2nc1[C@H]1C[NH2+]CCO1 ZINC000043705118 175099288 /nfs/dbraw/zinc/09/92/88/175099288.db2.gz ZELRLJBRFTYLES-GFCCVEGCSA-N 1 0 263.316 2.246 10 0 CEAERO Cc1ccc2c(c1)nc([C@H]1C[NH2+]CCO1)n2C1CC1 ZINC000043710861 175103597 /nfs/dbraw/zinc/10/35/97/175103597.db2.gz YHIMMIXIPBXVDN-CQSZACIVSA-N 1 0 257.337 2.341 10 0 CEAERO C[NH2+][C@H](CN1CCC(C)CC1)c1ccc2c(c1)OCO2 ZINC000043806395 175108699 /nfs/dbraw/zinc/10/86/99/175108699.db2.gz BBBLOQBIMJKSTR-CQSZACIVSA-N 1 0 276.380 2.408 10 0 CEAERO CCCN(CC)C[C@H]([NH2+]C)c1ccc2c(c1)OCCO2 ZINC000043884369 175116677 /nfs/dbraw/zinc/11/66/77/175116677.db2.gz IVFFBCIWQMJZFL-AWEZNQCLSA-N 1 0 278.396 2.450 10 0 CEAERO CCCN(C1CC1)[C@@H]1CC2(CC[C@@H]1[NH2+]CC)OCCO2 ZINC000043885617 175117219 /nfs/dbraw/zinc/11/72/19/175117219.db2.gz MBQLUKCJWRQMGE-LSDHHAIUSA-N 1 0 282.428 2.135 10 0 CEAERO CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N1CCC(OC)CC1 ZINC000043890153 175118188 /nfs/dbraw/zinc/11/81/88/175118188.db2.gz PWQSAJRWRPHXHY-YUELXQCFSA-N 1 0 254.418 2.264 10 0 CEAERO CC[NH2+][C@H]1CCCCC[C@@H]1N1CCC(OC)CC1 ZINC000043890163 175118293 /nfs/dbraw/zinc/11/82/93/175118293.db2.gz WIVGINFARQVGLG-GJZGRUSLSA-N 1 0 254.418 2.408 10 0 CEAERO CCC[NH2+][C@H](CN1CCOC[C@@H]1C)c1ccccc1 ZINC000043891706 175118562 /nfs/dbraw/zinc/11/85/62/175118562.db2.gz DRXCDLRUTKOCMO-GOEBONIOSA-N 1 0 262.397 2.448 10 0 CEAERO CC[C@@H]1CC[C@@H]([NH2+]C)[C@H](N2CCOC(C)(C)C2)C1 ZINC000043897638 175120314 /nfs/dbraw/zinc/12/03/14/175120314.db2.gz VAVSFMJDIIVENQ-MGPQQGTHSA-N 1 0 254.418 2.264 10 0 CEAERO C[NH2+][C@H](CN1CCOC(C)(C)C1)c1ccccc1OC ZINC000043897629 175120353 /nfs/dbraw/zinc/12/03/53/175120353.db2.gz RNPGSDFBDYEVFJ-CQSZACIVSA-N 1 0 278.396 2.067 10 0 CEAERO CCOc1ccc([C@@H](CN2CCOC(C)(C)C2)[NH2+]C)cc1 ZINC000043897675 175120439 /nfs/dbraw/zinc/12/04/39/175120439.db2.gz HGEKYUFXGQXVDD-MRXNPFEDSA-N 1 0 292.423 2.457 10 0 CEAERO CCOc1ccccc1[C@H](CN(C)C1CCOCC1)[NH2+]C ZINC000043898235 175121099 /nfs/dbraw/zinc/12/10/99/175121099.db2.gz OGYGENFHBSWYEA-INIZCTEOSA-N 1 0 292.423 2.457 10 0 CEAERO C[NH2+][C@H](CN(C)CC(F)(F)F)c1ccc(OC)cc1 ZINC000043900583 175121917 /nfs/dbraw/zinc/12/19/17/175121917.db2.gz CPNGVQBECVZWEQ-GFCCVEGCSA-N 1 0 276.302 2.450 10 0 CEAERO CC[NH2+][C@@H]1CCOC[C@H]1N(C)Cc1ccccc1C ZINC000043910299 175123087 /nfs/dbraw/zinc/12/30/87/175123087.db2.gz GQRDZLSBDXWKHR-HZPDHXFCSA-N 1 0 262.397 2.194 10 0 CEAERO CC[NH2+][C@H]1CCCC[C@H]1N1CCC(OCC)CC1 ZINC000043907423 175123102 /nfs/dbraw/zinc/12/31/02/175123102.db2.gz WLCPKPSGXISEPN-LSDHHAIUSA-N 1 0 254.418 2.408 10 0 CEAERO CCC[NH2+][C@@H]1CCOC[C@@H]1N(C)Cc1ccccc1F ZINC000043910881 175123309 /nfs/dbraw/zinc/12/33/09/175123309.db2.gz WGOGLGCDGAWVDC-CVEARBPZSA-N 1 0 280.387 2.415 10 0 CEAERO C[NH2+][C@H](CN(CCOC)CCOC)c1ccc(C)c(C)c1 ZINC000043912587 175124258 /nfs/dbraw/zinc/12/42/58/175124258.db2.gz LRHHZAQYUQSISN-QGZVFWFLSA-N 1 0 294.439 2.159 10 0 CEAERO CC[NH2+][C@@H]1CCC2(C[C@@H]1N1CCC(CC)CC1)OCCO2 ZINC000043913475 175124579 /nfs/dbraw/zinc/12/45/79/175124579.db2.gz HJVROMHOPHOJFJ-CVEARBPZSA-N 1 0 296.455 2.382 10 0 CEAERO CC[NH2+][C@H](c1ccc(OC)cc1)[C@H](C)N(C)CCOC ZINC000043915974 175125109 /nfs/dbraw/zinc/12/51/09/175125109.db2.gz ZTWWGMKCFOWNHC-BBRMVZONSA-N 1 0 280.412 2.313 10 0 CEAERO C[NH2+][C@H](CN1CCOCC1(C)C)c1ccc(C)cc1 ZINC000043916595 175125764 /nfs/dbraw/zinc/12/57/64/175125764.db2.gz FTECISHKOPLBNJ-OAHLLOKOSA-N 1 0 262.397 2.366 10 0 CEAERO CCN(C[C@H]1CCCO1)[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C ZINC000043966786 175127777 /nfs/dbraw/zinc/12/77/77/175127777.db2.gz DQOXHPLGWRWQGM-OIISXLGYSA-N 1 0 274.408 2.373 10 0 CEAERO CCN(CCOC)[C@H]1CCc2cc(OC)ccc2[C@@H]1[NH2+]C ZINC000043968574 175129973 /nfs/dbraw/zinc/12/99/73/175129973.db2.gz KWSGPBCOUDHCCT-IRXDYDNUSA-N 1 0 292.423 2.239 10 0 CEAERO C[NH2+][C@@H]1CCCCCC[C@H]1N(CCOC)C1CC1 ZINC000043969653 175130596 /nfs/dbraw/zinc/13/05/96/175130596.db2.gz AWIMRAFNVOQYOI-HUUCEWRRSA-N 1 0 254.418 2.408 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2OC[C@@H]1N(CCOC)C1CC1 ZINC000043970014 175131000 /nfs/dbraw/zinc/13/10/00/175131000.db2.gz WBFJOFAVGRMQJD-RDJZCZTQSA-N 1 0 290.407 2.209 10 0 CEAERO C[NH2+][C@H]1c2ccccc2C[C@H]1N(CCOC)CC(C)C ZINC000043970261 175131317 /nfs/dbraw/zinc/13/13/17/175131317.db2.gz OEWOKZCSUXIEGM-SJORKVTESA-N 1 0 276.424 2.476 10 0 CEAERO CC[NH2+][C@H]1CCCc2cc(OCC(=O)OC)ccc21 ZINC000044745560 175241963 /nfs/dbraw/zinc/24/19/63/175241963.db2.gz GIVKSLJGMJLBTF-AWEZNQCLSA-N 1 0 263.337 2.225 10 0 CEAERO O=C(CC[NH2+][C@@H]1CCCc2cc(O)ccc21)N1CCCC1 ZINC000044746861 175242692 /nfs/dbraw/zinc/24/26/92/175242692.db2.gz UQWSMYFBRHSRDL-MRXNPFEDSA-N 1 0 288.391 2.372 10 0 CEAERO C[C@@H](CN1CCOCC1)[NH2+][C@H]1CCCc2cc(O)ccc21 ZINC000044747134 175242711 /nfs/dbraw/zinc/24/27/11/175242711.db2.gz CFDSUXBISFIDTB-GUYCJALGSA-N 1 0 290.407 2.080 10 0 CEAERO [NH3+]CC1(C(=O)NCCc2ccc(O)cc2)CCCCCC1 ZINC000044763195 175246907 /nfs/dbraw/zinc/24/69/07/175246907.db2.gz UFXWYLSEQSFINK-UHFFFAOYSA-N 1 0 290.407 2.350 10 0 CEAERO CCCCN(C(=O)C1(C[NH3+])CCOCC1)[C@H](C)CC ZINC000044764141 175248163 /nfs/dbraw/zinc/24/81/63/175248163.db2.gz PTBLDDYUUWISMI-CYBMUJFWSA-N 1 0 270.417 2.169 10 0 CEAERO CCCCN(C(=O)C1(C[NH3+])CCOCC1)[C@@H](C)CC ZINC000044764140 175248259 /nfs/dbraw/zinc/24/82/59/175248259.db2.gz PTBLDDYUUWISMI-ZDUSSCGKSA-N 1 0 270.417 2.169 10 0 CEAERO CN(C(=O)[C@H](C[NH3+])Cc1ccccc1)c1ccccc1 ZINC000044795991 175254670 /nfs/dbraw/zinc/25/46/70/175254670.db2.gz GDFREKNVBHQUOZ-HNNXBMFYSA-N 1 0 268.360 2.467 10 0 CEAERO CC[C@H](C[NH3+])C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000044798229 175255134 /nfs/dbraw/zinc/25/51/34/175255134.db2.gz SWMOEKPCQVMQKU-SNVBAGLBSA-N 1 0 274.286 2.307 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)Nc1ccc(OC)c(F)c1 ZINC000044801057 175255828 /nfs/dbraw/zinc/25/58/28/175255828.db2.gz VLSXQWUDNWMXCB-SECBINFHSA-N 1 0 254.305 2.148 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)N[C@H](C)CCc1ccco1 ZINC000044806653 175256551 /nfs/dbraw/zinc/25/65/51/175256551.db2.gz CRNQZQOUIPVAKI-NEPJUHHUSA-N 1 0 252.358 2.092 10 0 CEAERO Cc1ccc(C(N)=S)c(NC[C@H](C)[NH+]2CCCCC2)n1 ZINC000045010092 175289318 /nfs/dbraw/zinc/28/93/18/175289318.db2.gz MHLJHVYCYCMWGY-LBPRGKRZSA-N 1 0 292.452 2.311 10 0 CEAERO COCC[C@H](C)[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000045018359 175291492 /nfs/dbraw/zinc/29/14/92/175291492.db2.gz DECHERRPBOVWSH-ZFWWWQNUSA-N 1 0 250.386 2.304 10 0 CEAERO CC(C)(C)N1CC[C@@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C1 ZINC000658089914 415201843 /nfs/dbraw/zinc/20/18/43/415201843.db2.gz CBWSLZIUAOIXGW-XJFOESAGSA-N 1 0 266.429 2.262 10 0 CEAERO COCC[C@@](C)(C[NH3+])N(C)Cc1ccccc1F ZINC000045043394 175295097 /nfs/dbraw/zinc/29/50/97/175295097.db2.gz ZIQHHBFEXMNXBY-AWEZNQCLSA-N 1 0 254.349 2.011 10 0 CEAERO CC(C)[NH2+]CCS(=O)(=O)NCc1ccc(C(C)C)cc1 ZINC000045047323 175296627 /nfs/dbraw/zinc/29/66/27/175296627.db2.gz TWRDEOPILDEFQZ-UHFFFAOYSA-N 1 0 298.452 2.227 10 0 CEAERO C[N@H+](CC(N)=S)Cc1ccc(F)c(Br)c1 ZINC000045063108 175298713 /nfs/dbraw/zinc/29/87/13/175298713.db2.gz CHIZBFGDKCZPJG-UHFFFAOYSA-N 1 0 291.189 2.306 10 0 CEAERO CCC[N@H+](CC(N)=S)[C@@H](C)C(=O)Nc1ccccc1 ZINC000045093534 175307197 /nfs/dbraw/zinc/30/71/97/175307197.db2.gz DLIAUPBOVANNMA-NSHDSACASA-N 1 0 279.409 2.012 10 0 CEAERO CC(C)COc1nc(NC[C@@H](C)[NH+](C)C)ccc1N ZINC000045105921 175307728 /nfs/dbraw/zinc/30/77/28/175307728.db2.gz SCBWILLPZJIQEN-LLVKDONJSA-N 1 0 266.389 2.061 10 0 CEAERO CC1(C)C[C@@H]1[NH2+][C@H]1CCS(=O)(=O)c2ccccc21 ZINC000045117280 175311512 /nfs/dbraw/zinc/31/15/12/175311512.db2.gz QIIUGLYOYIGPTF-AAEUAGOBSA-N 1 0 265.378 2.293 10 0 CEAERO Cc1ccc(C(N)=S)c(NC[C@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000045137216 175314459 /nfs/dbraw/zinc/31/44/59/175314459.db2.gz OPLGJDRZJJMYCJ-GFCCVEGCSA-N 1 0 292.452 2.166 10 0 CEAERO CCn1nc(C)c(-c2c[nH]c([C@H]3CCC[NH2+]C3)n2)c1C ZINC000045169339 175319810 /nfs/dbraw/zinc/31/98/10/175319810.db2.gz ILCCSIHJXAHIEY-LBPRGKRZSA-N 1 0 273.384 2.377 10 0 CEAERO Cc1nn(C)c(C)c1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000045168983 175319958 /nfs/dbraw/zinc/31/99/58/175319958.db2.gz QDPAZATYQOWYMM-KWBADKCTSA-N 1 0 251.374 2.255 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]CCCOC[C@@H]1CCCO1 ZINC000045168612 175320024 /nfs/dbraw/zinc/32/00/24/175320024.db2.gz JYFYMCWHBLCNLL-DOMZBBRYSA-N 1 0 295.427 2.273 10 0 CEAERO CCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000045170274 175320622 /nfs/dbraw/zinc/32/06/22/175320622.db2.gz GUFBQSLKSICXFV-CMPLNLGQSA-N 1 0 280.416 2.085 10 0 CEAERO Cc1nn(C)c(C)c1[C@H](C)[NH2+][C@@H](CO)CC(C)C ZINC000045172218 175321781 /nfs/dbraw/zinc/32/17/81/175321781.db2.gz PXYIPCUVRNPODC-GXFFZTMASA-N 1 0 253.390 2.095 10 0 CEAERO CCCC[N@H+](CC)CC[C@@](C)(NCC)C(=O)OC ZINC000045223390 175331633 /nfs/dbraw/zinc/33/16/33/175331633.db2.gz CZIAVIMMJVOQJM-CQSZACIVSA-N 1 0 258.406 2.040 10 0 CEAERO CCCC[N@H+](CC)CC[C@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045223350 175331657 /nfs/dbraw/zinc/33/16/57/175331657.db2.gz UGJVNUGFPRDLSA-AWEZNQCLSA-N 1 0 258.406 2.340 10 0 CEAERO CCOC(=O)[C@](C)(CC[NH+](CC)CC)NC(C)C ZINC000045226801 175333512 /nfs/dbraw/zinc/33/35/12/175333512.db2.gz CTBNNPALZPRPQB-AWEZNQCLSA-N 1 0 258.406 2.038 10 0 CEAERO CCN[C@](C)(CC[N@H+]1[C@H](C)CCC[C@@H]1C)C(=O)OC ZINC000045231922 175335694 /nfs/dbraw/zinc/33/56/94/175335694.db2.gz SGSQGPGTNBRFOV-VNHYZAJKSA-N 1 0 270.417 2.181 10 0 CEAERO CCOC(=O)[C@](C[NH+](C)C)(NC(C)C)c1ccccc1 ZINC000045232265 175336033 /nfs/dbraw/zinc/33/60/33/175336033.db2.gz MOXXKRCUNLJFAX-MRXNPFEDSA-N 1 0 278.396 2.005 10 0 CEAERO CCOC(=O)[C@@](N)(C[N@H+](C)[C@@H](C)CC)c1ccccc1 ZINC000045263766 175337505 /nfs/dbraw/zinc/33/75/05/175337505.db2.gz AJVOQZCXNOHMDG-XJKSGUPXSA-N 1 0 278.396 2.134 10 0 CEAERO CC[N@H+](CC[C@](C)([NH2+]C(C)C)C(=O)[O-])CC(C)C ZINC000045264170 175337752 /nfs/dbraw/zinc/33/77/52/175337752.db2.gz XECVCBCYYZDNQI-AWEZNQCLSA-N 1 0 258.406 2.196 10 0 CEAERO CCCN[C@](C[N@H+](C)CC)(C(=O)OC)c1ccccc1 ZINC000045264617 175338553 /nfs/dbraw/zinc/33/85/53/175338553.db2.gz BLKDHKGPNDMWGQ-INIZCTEOSA-N 1 0 278.396 2.006 10 0 CEAERO CCCN[C@@](C)(C[N@H+](C)C1CCCC1)C(=O)OCC ZINC000045266167 175339167 /nfs/dbraw/zinc/33/91/67/175339167.db2.gz CSXOLNCBKDBGRC-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CCC[N@H+](C[C@@](C)(NC(C)C)C(=O)OCC)C(C)C ZINC000045266830 175339239 /nfs/dbraw/zinc/33/92/39/175339239.db2.gz QMMUGTNLUBNMDR-OAHLLOKOSA-N 1 0 272.433 2.427 10 0 CEAERO CCC[N@H+](CC[C@@](C)(NC(C)C)C(=O)OC)C(C)C ZINC000045266964 175339416 /nfs/dbraw/zinc/33/94/16/175339416.db2.gz QTHUQRQMHMHEJV-OAHLLOKOSA-N 1 0 272.433 2.427 10 0 CEAERO CCCCC[N@H+](C)C[C@](C)(NCCC)C(=O)OC ZINC000045268145 175340799 /nfs/dbraw/zinc/34/07/99/175340799.db2.gz KWOGMXYTNTUNNF-AWEZNQCLSA-N 1 0 258.406 2.040 10 0 CEAERO CCOC(=O)[C@@](C)(C[N@H+](CC(C)C)C1CC1)NC(C)C ZINC000045277509 175347065 /nfs/dbraw/zinc/34/70/65/175347065.db2.gz IPMSWPBDMDUACH-MRXNPFEDSA-N 1 0 284.444 2.427 10 0 CEAERO COC(=O)[C@](C)(C[N@@H+]1CCC[C@@H]1C1CCCC1)NC1CC1 ZINC000045277386 175347220 /nfs/dbraw/zinc/34/72/20/175347220.db2.gz OIRMCPARDKUVLJ-WBVHZDCISA-N 1 0 294.439 2.325 10 0 CEAERO CCCN[C@](C)(C[N@H+](CC(C)C)C1CC1)C(=O)OC ZINC000045277498 175347806 /nfs/dbraw/zinc/34/78/06/175347806.db2.gz CZOUXZHNSKBKMQ-OAHLLOKOSA-N 1 0 270.417 2.038 10 0 CEAERO CCOC(=O)[C@](C)(CC[N@H+](C)[C@@H]1CCCC[C@@H]1C)NC ZINC000045279109 175349149 /nfs/dbraw/zinc/34/91/49/175349149.db2.gz OLRBNZBCJWDPOB-LZWOXQAQSA-N 1 0 284.444 2.428 10 0 CEAERO CCN[C@@](C)(C[N@H+](C)[C@@H]1CCCC[C@@H]1C)C(=O)OCC ZINC000045279015 175349274 /nfs/dbraw/zinc/34/92/74/175349274.db2.gz JDSUUSQSORAAEZ-LZWOXQAQSA-N 1 0 284.444 2.428 10 0 CEAERO CCN[C@@](C)(CC[N@H+](C)[C@@H](C)CC(C)C)C(=O)OC ZINC000045280017 175349800 /nfs/dbraw/zinc/34/98/00/175349800.db2.gz KDOYTIRRDOFOFI-ZFWWWQNUSA-N 1 0 272.433 2.284 10 0 CEAERO CCCN[C@@](C)(C[N@H+](C)C1CCC(C)CC1)C(=O)OC ZINC000045280542 175350515 /nfs/dbraw/zinc/35/05/15/175350515.db2.gz XOWHNDDDVQNTTF-XUJLQICISA-N 1 0 284.444 2.428 10 0 CEAERO CCOC(=O)[C@](C)(C[N@H+](CC1CC1)C(C)C)NC(C)C ZINC000045280990 175350713 /nfs/dbraw/zinc/35/07/13/175350713.db2.gz YDLZJVRDDLGYSV-INIZCTEOSA-N 1 0 284.444 2.427 10 0 CEAERO CC(C)N[C@@](C)(CC[N@H+](C)C1CCC(C)CC1)C(N)=O ZINC000045280625 175350874 /nfs/dbraw/zinc/35/08/74/175350874.db2.gz MRBCUDIPOGAEIJ-XUJLQICISA-N 1 0 283.460 2.129 10 0 CEAERO CCCN[C@](C)(C[NH+]1CCC(CC)CC1)C(=O)OC ZINC000045281387 175352132 /nfs/dbraw/zinc/35/21/32/175352132.db2.gz YFOHTVDLFMDRPZ-OAHLLOKOSA-N 1 0 270.417 2.040 10 0 CEAERO CCC1CC[NH+](CC[C@@](C)([NH2+]C2CC2)C(=O)[O-])CC1 ZINC000045281425 175352263 /nfs/dbraw/zinc/35/22/63/175352263.db2.gz BJDPEVNOIGRFBP-OAHLLOKOSA-N 1 0 268.401 2.094 10 0 CEAERO CCN[C@](C)(C[N@H+](C)CC1CCCCC1)C(=O)OC ZINC000045281558 175352669 /nfs/dbraw/zinc/35/26/69/175352669.db2.gz GMOAUCRAEPQNQM-OAHLLOKOSA-N 1 0 270.417 2.040 10 0 CEAERO CCCC[N@H+](C)CCCC[C@](C)(NCC)C(=O)OC ZINC000045368229 175362896 /nfs/dbraw/zinc/36/28/96/175362896.db2.gz SBZAHTKTEMOLRD-HNNXBMFYSA-N 1 0 272.433 2.430 10 0 CEAERO CCN(CCC[C@](C)([NH3+])C(=O)OC)c1ccccc1C ZINC000045369915 175363566 /nfs/dbraw/zinc/36/35/66/175363566.db2.gz ULIYGKHNPTVJRZ-INIZCTEOSA-N 1 0 278.396 2.492 10 0 CEAERO CCCC[N@H+](CC)CCCC[C@@](C)([NH2+]C)C(=O)[O-] ZINC000045370380 175363919 /nfs/dbraw/zinc/36/39/19/175363919.db2.gz GGWXMZKTZJIPEQ-CQSZACIVSA-N 1 0 258.406 2.341 10 0 CEAERO CC(C)[NH2+][C@@](C)(CCCN1CCc2ccccc21)C(N)=O ZINC000045372858 175364802 /nfs/dbraw/zinc/36/48/02/175364802.db2.gz TXILILJVDDCIIX-KRWDZBQOSA-N 1 0 289.423 2.071 10 0 CEAERO CCC[NH2+][C@](C)(CCCN1CCc2ccccc21)C(N)=O ZINC000045372855 175364899 /nfs/dbraw/zinc/36/48/99/175364899.db2.gz KAIMEUHRUNXCET-QGZVFWFLSA-N 1 0 289.423 2.073 10 0 CEAERO CCCN[C@H](C[N@H+](CC)C1CCCCC1)C(=O)OC ZINC000045372193 175364995 /nfs/dbraw/zinc/36/49/95/175364995.db2.gz MBHNXPNKLHDDQK-CQSZACIVSA-N 1 0 270.417 2.182 10 0 CEAERO CCC[NH2+][C@@](C)(CCCC[NH+]1CCCC1)C(=O)[O-] ZINC000045375204 175365604 /nfs/dbraw/zinc/36/56/04/175365604.db2.gz JTAHUIJVBMLJKW-AWEZNQCLSA-N 1 0 256.390 2.095 10 0 CEAERO CC[NH2+][C@@](C)(CCCC[NH+]1CCC(C)CC1)C(=O)[O-] ZINC000045374733 175365947 /nfs/dbraw/zinc/36/59/47/175365947.db2.gz KDXXIJOENIXQDJ-HNNXBMFYSA-N 1 0 270.417 2.341 10 0 CEAERO CC[NH+](CC)CCCC[C@@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000045375817 175366186 /nfs/dbraw/zinc/36/61/86/175366186.db2.gz FSAUCSMRJZSWAJ-CQSZACIVSA-N 1 0 256.390 2.094 10 0 CEAERO CCOC(=O)[C@](C)(CCC[NH+](CC)CC)NC(C)C ZINC000045375943 175366398 /nfs/dbraw/zinc/36/63/98/175366398.db2.gz YMHKVLYRVBMOLS-HNNXBMFYSA-N 1 0 272.433 2.428 10 0 CEAERO C[NH2+][C@@](C)(CCCC[N@@H+]1CCCC[C@@H]1C)C(=O)[O-] ZINC000045376046 175366641 /nfs/dbraw/zinc/36/66/41/175366641.db2.gz FLABEGRBSCMALM-JSGCOSHPSA-N 1 0 256.390 2.094 10 0 CEAERO CC[NH2+][C@@](C)(CCCC[NH+]1CCCCC1)C(=O)[O-] ZINC000045378211 175367736 /nfs/dbraw/zinc/36/77/36/175367736.db2.gz FRGVRMYXVTYAKZ-AWEZNQCLSA-N 1 0 256.390 2.095 10 0 CEAERO C[NH2+][C@@](C)(CCCC[NH+]1[C@@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000045379536 175367978 /nfs/dbraw/zinc/36/79/78/175367978.db2.gz DJKHHJUTFVLLIN-YDHLFZDLSA-N 1 0 270.417 2.482 10 0 CEAERO COC(=O)[C@@](C)(N)CCCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000045379569 175368494 /nfs/dbraw/zinc/36/84/94/175368494.db2.gz MFESVSSGJXJWKR-YDHLFZDLSA-N 1 0 270.417 2.310 10 0 CEAERO CCC[N@H+](CCCC[C@@](C)([NH2+]C)C(=O)[O-])C(C)C ZINC000045385770 175372126 /nfs/dbraw/zinc/37/21/26/175372126.db2.gz HFIMRUCSRQBKED-CQSZACIVSA-N 1 0 258.406 2.340 10 0 CEAERO CCC[N@H+](CC)CCCC[C@@](C)([NH2+]CC)C(=O)[O-] ZINC000045386831 175372920 /nfs/dbraw/zinc/37/29/20/175372920.db2.gz BBAQJYRLEIFXIJ-CQSZACIVSA-N 1 0 258.406 2.341 10 0 CEAERO CCCCC[N@H+](C)CCC[C@](C)(NCC)C(=O)OC ZINC000045388137 175374131 /nfs/dbraw/zinc/37/41/31/175374131.db2.gz UGVMSMPLFODEMH-HNNXBMFYSA-N 1 0 272.433 2.430 10 0 CEAERO CCOC(=O)[C@@](C)(CCC[N@H+](C)[C@@H](C)C(C)C)NC ZINC000045392119 175375894 /nfs/dbraw/zinc/37/58/94/175375894.db2.gz QGNUGIDVJANNTL-DZGCQCFKSA-N 1 0 272.433 2.284 10 0 CEAERO C[N@H+](CCCC[C@@](C)([NH2+]C1CC1)C(=O)[O-])CC1CC1 ZINC000045419901 175377781 /nfs/dbraw/zinc/37/77/81/175377781.db2.gz VEHAXDAKXUZDQT-OAHLLOKOSA-N 1 0 268.401 2.094 10 0 CEAERO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(C)C2)cc1 ZINC000658243812 415278273 /nfs/dbraw/zinc/27/82/73/415278273.db2.gz HCYPNPYJXNCMJK-OLZOCXBDSA-N 1 0 276.380 2.214 10 0 CEAERO C[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1cnc2ccsc2c1 ZINC000658243536 415278651 /nfs/dbraw/zinc/27/86/51/415278651.db2.gz OFKMWADEDDFZRA-WDEREUQCSA-N 1 0 289.404 2.425 10 0 CEAERO CC(C)(C)c1cccc(C(=O)NC[C@H]2CC[NH2+]C2)c1 ZINC000655452579 415281430 /nfs/dbraw/zinc/28/14/30/415281430.db2.gz LNCFOGVSTMGIJW-LBPRGKRZSA-N 1 0 260.381 2.323 10 0 CEAERO COc1ccc(-c2nc3cccnc3n2CC[NH3+])cc1 ZINC000049454737 175479881 /nfs/dbraw/zinc/47/98/81/175479881.db2.gz MEDCBRKMODEOAV-UHFFFAOYSA-N 1 0 268.320 2.066 10 0 CEAERO CC(C)[NH2+]C[C@H]1CC[C@H](COc2ccc3c(c2)OCO3)O1 ZINC000052649099 175537145 /nfs/dbraw/zinc/53/71/45/175537145.db2.gz TUVFPLFWXQAEGS-ZIAGYGMSSA-N 1 0 293.363 2.340 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+][C@@H]2C[C@]2(C)OC)c1C ZINC000658333417 415324081 /nfs/dbraw/zinc/32/40/81/415324081.db2.gz YGEJIJCTKIKSOZ-IUPBHXKESA-N 1 0 251.374 2.348 10 0 CEAERO CO[C@H](CNC(=O)[C@H]1CCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000659382422 415551545 /nfs/dbraw/zinc/55/15/45/415551545.db2.gz JVUQMGNDYGMHGP-QLFBSQMISA-N 1 0 282.428 2.073 10 0 CEAERO Cc1n[nH]cc1CCC[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000070360862 175889762 /nfs/dbraw/zinc/88/97/62/175889762.db2.gz SCVBOAIJSWQTQE-CABCVRRESA-N 1 0 265.401 2.444 10 0 CEAERO [NH3+][C@@H](c1ccc2[nH]c(=O)oc2c1)[C@@H]1COc2ccccc21 ZINC000070390124 175906579 /nfs/dbraw/zinc/90/65/79/175906579.db2.gz XEPQKTAKSAXSDN-ABAIWWIYSA-N 1 0 282.299 2.297 10 0 CEAERO CN(CC[C@H]1CCCC[NH2+]1)C(=O)[C@H]1COc2ccccc21 ZINC000070392001 175906810 /nfs/dbraw/zinc/90/68/10/175906810.db2.gz PAHPHMSTMZXIKU-HIFRSBDPSA-N 1 0 288.391 2.153 10 0 CEAERO CCC(CC)N(CC[NH3+])C(=O)[C@@H]1COc2ccccc21 ZINC000070393860 175908416 /nfs/dbraw/zinc/90/84/16/175908416.db2.gz AEJQVKYRYQOFGW-CQSZACIVSA-N 1 0 276.380 2.139 10 0 CEAERO Cc1ccc(C[NH3+])cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C ZINC000070430359 175925322 /nfs/dbraw/zinc/92/53/22/175925322.db2.gz GHJMXLWEKNVUFC-FZMZJTMJSA-N 1 0 296.436 2.311 10 0 CEAERO CCCc1cc(N2CCC[NH2+]CC2)nc(-c2cccnc2)n1 ZINC000070451964 175939838 /nfs/dbraw/zinc/93/98/38/175939838.db2.gz WCXYGCRSLPNTIF-UHFFFAOYSA-N 1 0 297.406 2.291 10 0 CEAERO Cc1ccc(-c2cc3c(N4CC[C@@H]([NH3+])C4)nccn3n2)cc1 ZINC000070459323 175941619 /nfs/dbraw/zinc/94/16/19/175941619.db2.gz LZAGQWBROZIVJS-CQSZACIVSA-N 1 0 293.374 2.242 10 0 CEAERO CCOc1ccc(-c2cc(N3CCC[NH2+]CC3)n[nH]2)cc1 ZINC000070459997 175942096 /nfs/dbraw/zinc/94/20/96/175942096.db2.gz QHUWUERQPYKSEI-UHFFFAOYSA-N 1 0 286.379 2.275 10 0 CEAERO C[NH2+][C@H](C)c1ccc(OCCOCCOC)c(OC)c1 ZINC000070480347 175952094 /nfs/dbraw/zinc/95/20/94/175952094.db2.gz VBJKLDVECJBMIV-GFCCVEGCSA-N 1 0 283.368 2.017 10 0 CEAERO [NH3+]C[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000070493103 175956075 /nfs/dbraw/zinc/95/60/75/175956075.db2.gz HSGVWQYFWNCQAF-QMMMGPOBSA-N 1 0 258.243 2.017 10 0 CEAERO CCC[NH2+][C@](CO)(CO[C@@H]1CCC[C@H](OC)C1)C1CC1 ZINC000070516474 175965448 /nfs/dbraw/zinc/96/54/48/175965448.db2.gz WMXLOESGMAOQCH-ARFHVFGLSA-N 1 0 285.428 2.101 10 0 CEAERO C[NH2+][C@](C)(CO)CCCOc1cccc2cccnc21 ZINC000070517810 175965783 /nfs/dbraw/zinc/96/57/83/175965783.db2.gz PZGVNBPXBSPFDO-INIZCTEOSA-N 1 0 274.364 2.364 10 0 CEAERO CCOc1ccc2[nH]c(SCC[C@@](C)(O)C[NH3+])nc2c1 ZINC000070522162 175967607 /nfs/dbraw/zinc/96/76/07/175967607.db2.gz ZNCACOMGUUEYNP-CQSZACIVSA-N 1 0 295.408 2.154 10 0 CEAERO CC[NH2+]C[C@H](C)CN1C(=O)C(=O)c2c1c(C)ccc2C ZINC000070527409 175971436 /nfs/dbraw/zinc/97/14/36/175971436.db2.gz URAPTQGWPNWBIH-JTQLQIEISA-N 1 0 274.364 2.078 10 0 CEAERO CCC[C@@]1(C(=O)N[C@H]2COc3ccccc32)CC[NH2+]C1 ZINC000070530594 175972688 /nfs/dbraw/zinc/97/26/88/175972688.db2.gz VZYOWUCIAGMKGR-XJKSGUPXSA-N 1 0 274.364 2.016 10 0 CEAERO CC(C)[NH2+]CCCC(=O)N[C@@H]1COc2ccccc21 ZINC000070530639 175972888 /nfs/dbraw/zinc/97/28/88/175972888.db2.gz MWYLJSBVEBJUFB-CYBMUJFWSA-N 1 0 262.353 2.015 10 0 CEAERO Cc1nn(Cc2[nH+]c(NN)ccc2Cl)cc1Cl ZINC000070704717 176002340 /nfs/dbraw/zinc/00/23/40/176002340.db2.gz KKEKSWVHSONENQ-UHFFFAOYSA-N 1 0 272.139 2.227 10 0 CEAERO CC[NH2+][C@@H](C)c1csc(N2CCSCC2)n1 ZINC000070844754 176008845 /nfs/dbraw/zinc/00/88/45/176008845.db2.gz XCNPAWBXGUJMKA-VIFPVBQESA-N 1 0 257.428 2.367 10 0 CEAERO Cc1ncsc1CNC1=[NH+]C[C@@H](C2CC2)S1 ZINC000070889387 176010544 /nfs/dbraw/zinc/01/05/44/176010544.db2.gz GDRGGNWKNXGGBD-JTQLQIEISA-N 1 0 253.396 2.423 10 0 CEAERO COc1ccc([C@@H]2[C@H]([NH3+])CCC(=O)N2C2CC2)cc1C ZINC000070987193 176018655 /nfs/dbraw/zinc/01/86/55/176018655.db2.gz GGNUNVJEUGHNOF-CZUORRHYSA-N 1 0 274.364 2.157 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN([C@H](C)Cc2ccc(F)cc2)C1=O ZINC000071031259 176022466 /nfs/dbraw/zinc/02/24/66/176022466.db2.gz IQKUTBYUFVOGHJ-IUODEOHRSA-N 1 0 278.371 2.356 10 0 CEAERO COc1ccc(Cl)c(N2CC[C@H]([NH2+]C(C)C)C2=O)c1 ZINC000071031618 176023144 /nfs/dbraw/zinc/02/31/44/176023144.db2.gz BLYGGRNPPYKDOH-LBPRGKRZSA-N 1 0 282.771 2.452 10 0 CEAERO C[NH2+][C@@H]1CCCN(C23CC4CC(CC(C4)C2)C3)C1=O ZINC000071035702 176025302 /nfs/dbraw/zinc/02/53/02/176025302.db2.gz XXNLGMNAOKHZBU-MHCOZEDOSA-N 1 0 262.397 2.166 10 0 CEAERO Cc1nc(C)c([C@H](C)N2CC[C@@H]([NH2+]C3CC3)C2=O)s1 ZINC000071036208 176025334 /nfs/dbraw/zinc/02/53/34/176025334.db2.gz AMPXISVETHWMSC-JOYOIKCWSA-N 1 0 279.409 2.174 10 0 CEAERO COc1ccc(Cl)cc1N1CC[C@@H]([NH2+]C(C)C)C1=O ZINC000071035963 176025480 /nfs/dbraw/zinc/02/54/80/176025480.db2.gz FRLSQIGWBFDMFN-LLVKDONJSA-N 1 0 282.771 2.452 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCN1c1cccc(Cl)c1F ZINC000071039001 176027157 /nfs/dbraw/zinc/02/71/57/176027157.db2.gz AOSIHUGQNHPSLP-SNVBAGLBSA-N 1 0 268.719 2.336 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCCN1CCc1ccc(F)cc1 ZINC000071038169 176027328 /nfs/dbraw/zinc/02/73/28/176027328.db2.gz JSVKXSSWQHMSJH-HNNXBMFYSA-N 1 0 276.355 2.111 10 0 CEAERO Cc1cc(N2CCC[C@H]([NH2+]C3CC3)C2=O)ccc1F ZINC000071042700 176028403 /nfs/dbraw/zinc/02/84/03/176028403.db2.gz OHCMDUSFDYJTIL-AWEZNQCLSA-N 1 0 262.328 2.382 10 0 CEAERO CC[NH2+][C@H]1CCCN(Cc2ccc(C)s2)C1=O ZINC000071042025 176028491 /nfs/dbraw/zinc/02/84/91/176028491.db2.gz GAOLVABPKPGZGC-LBPRGKRZSA-N 1 0 252.383 2.157 10 0 CEAERO CC(C)[NH2+][C@H]1CCN(c2cc(F)c(F)cc2F)C1=O ZINC000071042640 176028608 /nfs/dbraw/zinc/02/86/08/176028608.db2.gz ISCHDAQTPVORAL-NSHDSACASA-N 1 0 272.270 2.207 10 0 CEAERO CC[NH2+][C@H]1CCCN(CCCOc2ccccc2)C1=O ZINC000071043213 176029408 /nfs/dbraw/zinc/02/94/08/176029408.db2.gz XVPMHKAAVVQVJM-HNNXBMFYSA-N 1 0 276.380 2.056 10 0 CEAERO COc1cc(C[NH2+]C[C@@H]2OCCc3ccccc32)ccn1 ZINC000071091161 176031058 /nfs/dbraw/zinc/03/10/58/176031058.db2.gz JNAAWOAEOSTUEO-INIZCTEOSA-N 1 0 284.359 2.494 10 0 CEAERO COc1ncccc1C[NH2+]C[C@H]1OCCc2ccccc21 ZINC000071090708 176031447 /nfs/dbraw/zinc/03/14/47/176031447.db2.gz KSMZSYJAXSMMCK-MRXNPFEDSA-N 1 0 284.359 2.494 10 0 CEAERO COc1cc(OC)cc(Oc2ccnc(C(N)=[NH2+])c2)c1 ZINC000071138469 176036714 /nfs/dbraw/zinc/03/67/14/176036714.db2.gz ONAJUXCJENXKHU-UHFFFAOYSA-N 1 0 273.292 2.175 10 0 CEAERO C[NH2+][C@@H](c1ccc2c(c1)C(=O)N(C)C(=O)C2)C1CCCC1 ZINC000071139457 176037957 /nfs/dbraw/zinc/03/79/57/176037957.db2.gz NQKXFIFRSUZRFC-MRXNPFEDSA-N 1 0 286.375 2.292 10 0 CEAERO COc1ccc(C[C@](C)(C[NH3+])N2CCSCC2)cc1 ZINC000071169082 176050042 /nfs/dbraw/zinc/05/00/42/176050042.db2.gz JNFOOLGXKHABMC-OAHLLOKOSA-N 1 0 280.437 2.004 10 0 CEAERO Cc1c(Cl)nnc(N[C@H]2CCC[N@@H+](C)C2)c1C ZINC000071171436 176052064 /nfs/dbraw/zinc/05/20/64/176052064.db2.gz YLRUGYWFMZWHEQ-JTQLQIEISA-N 1 0 254.765 2.253 10 0 CEAERO CCCOc1cncc(NCc2ccccc2C[NH3+])n1 ZINC000071176108 176054838 /nfs/dbraw/zinc/05/48/38/176054838.db2.gz LLKFUMJGYUWNAJ-UHFFFAOYSA-N 1 0 272.352 2.336 10 0 CEAERO CCCOc1cncc(N(CCC)[C@@H]2CCC[NH2+]C2)n1 ZINC000071176292 176055012 /nfs/dbraw/zinc/05/50/12/176055012.db2.gz ZRXVEVFQJDZCGR-CYBMUJFWSA-N 1 0 278.400 2.234 10 0 CEAERO CCC(CC)N(CC[NH3+])c1cncc(OC(C)C)n1 ZINC000071177467 176055258 /nfs/dbraw/zinc/05/52/58/176055258.db2.gz CFQOYWMWMVZMEI-UHFFFAOYSA-N 1 0 266.389 2.218 10 0 CEAERO CC(C)C[NH2+]C[C@@H]1CCCN1c1cncc(OC(C)C)n1 ZINC000071176859 176055365 /nfs/dbraw/zinc/05/53/65/176055365.db2.gz YOLIKDAJFXPUQM-AWEZNQCLSA-N 1 0 292.427 2.478 10 0 CEAERO C[C@@H]([NH3+])c1ccc2ccccc2c1O[C@H]1CCN(C)C1=O ZINC000071182983 176058271 /nfs/dbraw/zinc/05/82/71/176058271.db2.gz PGWOZFRWLPUNGT-ABAIWWIYSA-N 1 0 284.359 2.469 10 0 CEAERO CN(Cc1ccc(Cl)cc1N)C[C@H]1CC[N@H+](C)C1 ZINC000071187840 176061542 /nfs/dbraw/zinc/06/15/42/176061542.db2.gz DDBJUBGFVWGDTI-NSHDSACASA-N 1 0 267.804 2.306 10 0 CEAERO CN(C[C@H]1CC[N@H+](C)C1)c1ccc(N)cc1Br ZINC000071188396 176062701 /nfs/dbraw/zinc/06/27/01/176062701.db2.gz RATWYDJHWJVOTA-JTQLQIEISA-N 1 0 298.228 2.419 10 0 CEAERO CN(C[C@H](N)c1cc2ccccc2o1)C[C@@H]1CC[N@H+](C)C1 ZINC000071188779 176063941 /nfs/dbraw/zinc/06/39/41/176063941.db2.gz XUDGMMKZUKOORR-HIFRSBDPSA-N 1 0 287.407 2.316 10 0 CEAERO C[C@@H](C(=O)c1ccc(F)cc1F)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189881 176065618 /nfs/dbraw/zinc/06/56/18/176065618.db2.gz XXYZMBAIZFZBQI-NWDGAFQWSA-N 1 0 296.361 2.420 10 0 CEAERO C[N@H+](C[C@H]1CC[NH+](C)C1)[C@@H](CC(=O)[O-])c1ccccc1 ZINC000071192680 176074237 /nfs/dbraw/zinc/07/42/37/176074237.db2.gz LNLKDWBIJIMHAD-ZFWWWQNUSA-N 1 0 276.380 2.086 10 0 CEAERO CC(C)[NH2+][C@H]1CCN(CCc2ccc3c(c2)OCCO3)C1 ZINC000071198080 176076594 /nfs/dbraw/zinc/07/65/94/176076594.db2.gz WMTUVGZDWUPTKP-HNNXBMFYSA-N 1 0 290.407 2.073 10 0 CEAERO Cc1ncsc1CN1CC[C@@H](C[NH2+]C(C)C)C1 ZINC000071213159 176084909 /nfs/dbraw/zinc/08/49/09/176084909.db2.gz ZJEHZONJHCLLFF-LBPRGKRZSA-N 1 0 253.415 2.271 10 0 CEAERO CC[C@@H](C(=O)N(CCC[NH3+])CCOC)c1ccccc1 ZINC000071222852 176088179 /nfs/dbraw/zinc/08/81/79/176088179.db2.gz CWDARDGYXAMCLI-OAHLLOKOSA-N 1 0 278.396 2.004 10 0 CEAERO COCCN(CCC[NH3+])Cc1cc(Cl)ccc1OC ZINC000071224228 176088591 /nfs/dbraw/zinc/08/85/91/176088591.db2.gz GLSKKJZKQONVKK-UHFFFAOYSA-N 1 0 286.803 2.146 10 0 CEAERO CC(C)(C)OC(=O)N1CCCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000071257585 176095795 /nfs/dbraw/zinc/09/57/95/176095795.db2.gz OFOZKWYGKIHBAG-RYUDHWBXSA-N 1 0 254.374 2.386 10 0 CEAERO CC(C)c1nccn1Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071268072 176101895 /nfs/dbraw/zinc/10/18/95/176101895.db2.gz CAMYGYHFGPBGCF-UHFFFAOYSA-N 1 0 260.316 2.478 10 0 CEAERO Cn1ccnc1C[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000071274102 176105730 /nfs/dbraw/zinc/10/57/30/176105730.db2.gz ZTBVZLIABPEJCX-GFCCVEGCSA-N 1 0 299.296 2.262 10 0 CEAERO CCOC(=O)CCCCC[NH2+]CC[C@H]1CCCO1 ZINC000071293669 176111790 /nfs/dbraw/zinc/11/17/90/176111790.db2.gz OFBCNAYIRBSLAK-CYBMUJFWSA-N 1 0 257.374 2.269 10 0 CEAERO CCC[N@H+](CCCCCC(=O)OCC)CC(N)=S ZINC000071297641 176112438 /nfs/dbraw/zinc/11/24/38/176112438.db2.gz QKJWIBXRNJLRND-UHFFFAOYSA-N 1 0 274.430 2.108 10 0 CEAERO CN(c1c(F)c(F)c(F)c(F)c1F)[C@H]1CC[NH2+]C1 ZINC000071311884 176119032 /nfs/dbraw/zinc/11/90/32/176119032.db2.gz PFEXVHZTURGWBH-YFKPBYRVSA-N 1 0 266.213 2.180 10 0 CEAERO CCN(C(=O)c1cc2c(s1)CCCC2)[C@@H]1CC[NH2+]C1 ZINC000071312509 176119295 /nfs/dbraw/zinc/11/92/95/176119295.db2.gz LLVIEORPSYNZPM-GFCCVEGCSA-N 1 0 278.421 2.451 10 0 CEAERO CCN(CCOc1cccc(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000071313921 176120484 /nfs/dbraw/zinc/12/04/84/176120484.db2.gz YMMMUBOFOYJGBC-ZDUSSCGKSA-N 1 0 268.788 2.403 10 0 CEAERO CCN(CC(=O)Nc1ccccc1SC)[C@H]1CC[NH2+]C1 ZINC000071313807 176120504 /nfs/dbraw/zinc/12/05/04/176120504.db2.gz HOSICFFBKUXALV-LBPRGKRZSA-N 1 0 293.436 2.031 10 0 CEAERO CCCN(c1cc(Cl)ccc1C(N)=O)[C@@H]1CC[NH2+]C1 ZINC000071332417 176125670 /nfs/dbraw/zinc/12/56/70/176125670.db2.gz PCPPGWOHHMSONK-LLVKDONJSA-N 1 0 281.787 2.017 10 0 CEAERO Cc1ccc(C(=O)NC[C@H]2[NH2+]CCC[C@@H]2C)c(C)c1 ZINC000071338530 176128694 /nfs/dbraw/zinc/12/86/94/176128694.db2.gz DKEADNGJAGGWAD-SWLSCSKDSA-N 1 0 260.381 2.421 10 0 CEAERO C[C@@H]1CCC[NH2+][C@@H]1CNC(=O)c1cc(F)cc(F)c1 ZINC000071338616 176128915 /nfs/dbraw/zinc/12/89/15/176128915.db2.gz QYANOIDWSCXQRP-NOZJJQNGSA-N 1 0 268.307 2.083 10 0 CEAERO Cc1ccccc1CC(=O)NC[C@H]1[NH2+]CCC[C@H]1C ZINC000071338660 176128958 /nfs/dbraw/zinc/12/89/58/176128958.db2.gz RDQTYKIBTZHFFB-UKRRQHHQSA-N 1 0 260.381 2.042 10 0 CEAERO CCc1ccc(C(=O)NC[C@H]2[NH2+]CCC[C@H]2C)cc1 ZINC000071338684 176129033 /nfs/dbraw/zinc/12/90/33/176129033.db2.gz RWZZJEYNLGGNJM-IUODEOHRSA-N 1 0 260.381 2.367 10 0 CEAERO COc1cccc(NC(=O)NC[C@H]2[NH2+]CCC[C@@H]2C)c1 ZINC000071338984 176129276 /nfs/dbraw/zinc/12/92/76/176129276.db2.gz OGBFIWCDHFWPBX-SMDDNHRTSA-N 1 0 277.368 2.205 10 0 CEAERO Cc1cccnc1C[NH2+]C[C@H](O)c1c(F)cccc1F ZINC000071344176 176130866 /nfs/dbraw/zinc/13/08/66/176130866.db2.gz RJGGIXSQEYJESR-AWEZNQCLSA-N 1 0 278.302 2.491 10 0 CEAERO CC[C@H]1CN(CCOCCOC)C2(CCCCC2)C[NH2+]1 ZINC000071345485 176131673 /nfs/dbraw/zinc/13/16/73/176131673.db2.gz OEXJXVUTYACTIX-HNNXBMFYSA-N 1 0 284.444 2.036 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1CCn1cccn1 ZINC000071347211 176132175 /nfs/dbraw/zinc/13/21/75/176132175.db2.gz LDHFWVCHBVEFMG-LSDHHAIUSA-N 1 0 278.444 2.228 10 0 CEAERO CC[C@]1(C)C[NH2+][C@@H](C(C)(C)C)CN1Cc1cnn(C)c1 ZINC000071348651 176132549 /nfs/dbraw/zinc/13/25/49/176132549.db2.gz DFYSUOZOOYPCJF-GDBMZVCRSA-N 1 0 278.444 2.409 10 0 CEAERO CCC[C@H]1C[NH2+][C@@H](CC(C)C)CN1CCOCCOC ZINC000071350392 176134121 /nfs/dbraw/zinc/13/41/21/176134121.db2.gz YXGZLFGBPQHXJT-HOTGVXAUSA-N 1 0 286.460 2.138 10 0 CEAERO Cc1ccc(C[N@H+](C)CCCn2ccc(N)n2)cc1 ZINC000071351977 176134808 /nfs/dbraw/zinc/13/48/08/176134808.db2.gz YNIFRIAPNYOQQM-UHFFFAOYSA-N 1 0 258.369 2.296 10 0 CEAERO CC[C@]1(C)C[NH2+][C@H](CC(C)C)CN1CCOCCOC ZINC000071351853 176135039 /nfs/dbraw/zinc/13/50/39/176135039.db2.gz WOYDWGQWGYHYFL-HZPDHXFCSA-N 1 0 286.460 2.138 10 0 CEAERO CC[N@H+](CCCn1ccc(N)n1)Cc1ccccc1 ZINC000071351995 176135111 /nfs/dbraw/zinc/13/51/11/176135111.db2.gz VNFMCBVVXMWJKB-UHFFFAOYSA-N 1 0 258.369 2.378 10 0 CEAERO CCn1cc(CN2CC3(CCCC3)[NH2+]CC2(C)C)cn1 ZINC000071358963 176137620 /nfs/dbraw/zinc/13/76/20/176137620.db2.gz YPVJCNCLVXWXPB-UHFFFAOYSA-N 1 0 276.428 2.400 10 0 CEAERO CCC[C@H]1C[NH2+]C2(CCCC2)CN1CCn1cccn1 ZINC000071358413 176137717 /nfs/dbraw/zinc/13/77/17/176137717.db2.gz SNZWOZUMIAKHHQ-HNNXBMFYSA-N 1 0 276.428 2.270 10 0 CEAERO c1cn([C@@H]2CCC[C@H]2[NH2+]Cc2cnn3ccccc23)cn1 ZINC000071373013 176138562 /nfs/dbraw/zinc/13/85/62/176138562.db2.gz AHFZLFMBWCIOSM-GDBMZVCRSA-N 1 0 281.363 2.414 10 0 CEAERO CCNc1cc(C(=O)NCC[N@H+](C)C2CCCC2)ccn1 ZINC000071380023 176144168 /nfs/dbraw/zinc/14/41/68/176144168.db2.gz CFEFNVUJYHTDJK-UHFFFAOYSA-N 1 0 290.411 2.118 10 0 CEAERO CCCS(=O)(=O)c1ccc(N[C@@H]2CCC[NH2+]C2)cc1 ZINC000071397770 176151216 /nfs/dbraw/zinc/15/12/16/176151216.db2.gz BDCIFVSOHSGCKG-CYBMUJFWSA-N 1 0 282.409 2.034 10 0 CEAERO COC(=O)[C@H](C)Oc1ccc(CC[NH3+])cc1C(F)(F)F ZINC000071399490 176152200 /nfs/dbraw/zinc/15/22/00/176152200.db2.gz SADQSXDHMXBSJO-QMMMGPOBSA-N 1 0 291.269 2.147 10 0 CEAERO COCCN(C(=O)CC[C@H]([NH3+])c1ccccc1)C1CC1 ZINC000071400779 176152956 /nfs/dbraw/zinc/15/29/56/176152956.db2.gz JBWPUDLQHPHQOM-HNNXBMFYSA-N 1 0 276.380 2.104 10 0 CEAERO CN(CCC[C@@H]([NH3+])c1ccccc1)Cc1nccn1C ZINC000071402090 176154097 /nfs/dbraw/zinc/15/40/97/176154097.db2.gz BPYQFLXYMPVIQZ-OAHLLOKOSA-N 1 0 272.396 2.332 10 0 CEAERO Cc1ccc(O[C@H](C)C(=O)NC(C)(C)C)c(C[NH3+])c1 ZINC000071403351 176155037 /nfs/dbraw/zinc/15/50/37/176155037.db2.gz DLMXORRUCFCSLC-LLVKDONJSA-N 1 0 264.369 2.136 10 0 CEAERO CC[C@@H](C)NC(=O)[C@H](C)Oc1ccc(C)cc1CC[NH3+] ZINC000071411285 176157216 /nfs/dbraw/zinc/15/72/16/176157216.db2.gz WXZUWLMIIPUFSE-OLZOCXBDSA-N 1 0 278.396 2.178 10 0 CEAERO Cc1ccc(OCC(=O)NCC(C)C)c(C[C@@H](C)[NH3+])c1 ZINC000071412039 176157492 /nfs/dbraw/zinc/15/74/92/176157492.db2.gz OLIQMCOENMHSLK-CYBMUJFWSA-N 1 0 278.396 2.036 10 0 CEAERO CN(C)Cc1nc2ccccc2n1CC[NH+]1CCCC1 ZINC000071502827 176192825 /nfs/dbraw/zinc/19/28/25/176192825.db2.gz DIAQNFKXELLNIU-UHFFFAOYSA-N 1 0 272.396 2.194 10 0 CEAERO COc1ccc([C@@H](O)[C@@H](C)[NH2+]C(C)C)cc1OC ZINC000071574762 176201797 /nfs/dbraw/zinc/20/17/97/176201797.db2.gz LYFAMPQJBWFRBY-YGRLFVJLSA-N 1 0 253.342 2.124 10 0 CEAERO CO[C@@H](CN1CC[N@@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000659902858 415768402 /nfs/dbraw/zinc/76/84/02/415768402.db2.gz ZYVFHAGSKGUWFM-HOTGVXAUSA-N 1 0 266.429 2.362 10 0 CEAERO Cc1nccnc1N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656608625 415785556 /nfs/dbraw/zinc/78/55/56/415785556.db2.gz GSJZLNLJBGFFEJ-AWEZNQCLSA-N 1 0 260.385 2.001 10 0 CEAERO Cc1ccnc(N2CC3CC2(C[NH3+])C3)c1Br ZINC000656611944 415787056 /nfs/dbraw/zinc/78/70/56/415787056.db2.gz QJOKTXYMUOJXCW-UHFFFAOYSA-N 1 0 282.185 2.080 10 0 CEAERO C[NH2+][C@@H]1CCN(C(=O)OCc2ccccc2)[C@@H](C)C1 ZINC000073657066 176484121 /nfs/dbraw/zinc/48/41/21/176484121.db2.gz OULNFTUDKFNUBC-GXTWGEPZSA-N 1 0 262.353 2.396 10 0 CEAERO Cc1cc[n+](CCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 ZINC000075304430 176685975 /nfs/dbraw/zinc/68/59/75/176685975.db2.gz ZLOBCLSDEZTNLJ-HUUCEWRRSA-N 1 0 261.389 2.462 10 0 CEAERO Cc1cc[n+](CCC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000075304413 176686002 /nfs/dbraw/zinc/68/60/02/176686002.db2.gz WELFOESANRTBBN-GJZGRUSLSA-N 1 0 261.389 2.177 10 0 CEAERO C[NH2+]CCC(=O)N[C@H](C)c1ccc(OC)c(C)c1C ZINC000076369155 177006439 /nfs/dbraw/zinc/00/64/39/177006439.db2.gz LECPFFYLCRQFCO-GFCCVEGCSA-N 1 0 264.369 2.099 10 0 CEAERO C[NH2+]CCC(=O)OCc1ccc(Br)cc1 ZINC000076413184 177020789 /nfs/dbraw/zinc/02/07/89/177020789.db2.gz XZQUQGSDDPMPCU-UHFFFAOYSA-N 1 0 272.142 2.102 10 0 CEAERO Cc1ccc(C)c([C@H](C[NH3+])CCC(=O)NC2CC2)c1 ZINC000076671170 177053662 /nfs/dbraw/zinc/05/36/62/177053662.db2.gz HIQVJORTCPXODA-ZDUSSCGKSA-N 1 0 260.381 2.405 10 0 CEAERO CC1(C)COC[C@@]2(CC[NH2+]C2)N1Cc1ccccc1 ZINC000076698255 177061860 /nfs/dbraw/zinc/06/18/60/177061860.db2.gz APELTQMRRYUXHR-INIZCTEOSA-N 1 0 260.381 2.030 10 0 CEAERO Cc1nc(C)c(C[NH2+][C@@H](C)C(=O)N2CCCCC2)s1 ZINC000076867152 177125024 /nfs/dbraw/zinc/12/50/24/177125024.db2.gz GJGBYGYSGWBSMC-NSHDSACASA-N 1 0 281.425 2.251 10 0 CEAERO COC[C@@](C)([NH3+])c1ccc(Br)s1 ZINC000077429993 177266335 /nfs/dbraw/zinc/26/63/35/177266335.db2.gz RPXJCJKKBHMADC-MRVPVSSYSA-N 1 0 250.161 2.331 10 0 CEAERO CCN(C(=O)CN1C[C@H](C[NH3+])CC[C@@H]1C)c1ccccc1 ZINC000078505528 177348089 /nfs/dbraw/zinc/34/80/89/177348089.db2.gz FRFCJMZMWJMZFL-GJZGRUSLSA-N 1 0 289.423 2.099 10 0 CEAERO CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)CCCC[NH3+])C2 ZINC000078521039 177349635 /nfs/dbraw/zinc/34/96/35/177349635.db2.gz YBJNZKVKOOBZPD-JMSVASOKSA-N 1 0 252.402 2.446 10 0 CEAERO Nc1cc[nH+]cc1[C@H](O)c1ccc2ccccc2n1 ZINC000078597855 177358310 /nfs/dbraw/zinc/35/83/10/177358310.db2.gz PBSFIHLIPMPWCI-HNNXBMFYSA-N 1 0 251.289 2.294 10 0 CEAERO C[C@@H](CC[NH3+])CCC(=O)N[C@@H](C)CCc1ccco1 ZINC000079119376 177437170 /nfs/dbraw/zinc/43/71/70/177437170.db2.gz HKGLSDSNWYPBMG-OLZOCXBDSA-N 1 0 266.385 2.482 10 0 CEAERO CCCOCc1noc(CC[C@@H](CC)CC[NH3+])n1 ZINC000079200571 177444187 /nfs/dbraw/zinc/44/41/87/177444187.db2.gz DTVMYNPXJXSFMF-LLVKDONJSA-N 1 0 255.362 2.304 10 0 CEAERO CC(C)[C@H](CC[NH3+])CCC(=O)N(CCCO)C(C)C ZINC000079277325 177461653 /nfs/dbraw/zinc/46/16/53/177461653.db2.gz YPDZVPCAEKQQPS-AWEZNQCLSA-N 1 0 272.433 2.007 10 0 CEAERO CC(C)[C@@H](CC[NH3+])CCC(=O)N1CCC[C@@H]1CCCO ZINC000079278434 177461811 /nfs/dbraw/zinc/46/18/11/177461811.db2.gz APARUZRTGOFUEY-HUUCEWRRSA-N 1 0 284.444 2.151 10 0 CEAERO CC(C)[C@H](CC[NH3+])CCC(=O)NC[C@@H]1CCCCO1 ZINC000079278197 177461904 /nfs/dbraw/zinc/46/19/04/177461904.db2.gz DGYLCLIBMZHESC-KBPBESRZSA-N 1 0 270.417 2.073 10 0 CEAERO CC(C)(C)[C@H](CC[NH3+])CCC(=O)O[C@H]1CCOC1 ZINC000079287283 177463901 /nfs/dbraw/zinc/46/39/01/177463901.db2.gz KXFSWPUGJMXJJQ-RYUDHWBXSA-N 1 0 257.374 2.110 10 0 CEAERO COCc1cccc(NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])c1 ZINC000079526261 177515663 /nfs/dbraw/zinc/51/56/63/177515663.db2.gz OJISXFZHEQLFKQ-OSRDXIQISA-N 1 0 274.364 2.145 10 0 CEAERO CC[C@@H](COC)NC(=O)CC[C@H](CC[NH3+])C(C)(C)C ZINC000079747984 177550805 /nfs/dbraw/zinc/55/08/05/177550805.db2.gz KPHRVBCNJBJTJT-OLZOCXBDSA-N 1 0 272.433 2.319 10 0 CEAERO NC(=[NH2+])c1ccc(CNC(=O)Oc2ccccc2)c(F)c1 ZINC000079779123 177557775 /nfs/dbraw/zinc/55/77/75/177557775.db2.gz MTXDGYFTDXOMTM-UHFFFAOYSA-N 1 0 287.294 2.398 10 0 CEAERO C[NH2+][C@H](C)c1cccc(NS(=O)(=O)CC(C)C)c1 ZINC000080189178 177621930 /nfs/dbraw/zinc/62/19/30/177621930.db2.gz YYDBMLKDNSJRLX-LLVKDONJSA-N 1 0 270.398 2.365 10 0 CEAERO CC(C)(C)CS(=O)(=O)N1C[C@@H](CC[NH3+])c2ccccc21 ZINC000080191866 177622781 /nfs/dbraw/zinc/62/27/81/177622781.db2.gz ZLSAHSXZYSHTDV-GFCCVEGCSA-N 1 0 296.436 2.315 10 0 CEAERO C[C@@H]1CCC[C@](CNC(=O)[C@H]2CCCO[C@@H]2C)([NH+](C)C)C1 ZINC000253276312 287501442 /nfs/dbraw/zinc/50/14/42/287501442.db2.gz JTJZBKNIRJZMOG-AIANPOQGSA-N 1 0 296.455 2.428 10 0 CEAERO CCCCOC[C@@H](O)C[NH+]1CCC2(CC2(F)F)CC1 ZINC000405165657 419401507 /nfs/dbraw/zinc/40/15/07/419401507.db2.gz LRLKMTMBDUJTEG-LBPRGKRZSA-N 1 0 277.355 2.285 10 0 CEAERO C[C@H](C[C@@H]1COCCN1)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000133547340 419430239 /nfs/dbraw/zinc/43/02/39/419430239.db2.gz YYSXJAJBJREJRL-NTZNESFSSA-N 1 0 284.350 2.382 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000136295059 419444869 /nfs/dbraw/zinc/44/48/69/419444869.db2.gz FPVHKUKZUXCLSS-LBPRGKRZSA-N 1 0 278.352 2.160 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000136399443 419446197 /nfs/dbraw/zinc/44/61/97/419446197.db2.gz MAUCMPLPFOQMPU-HUUCEWRRSA-N 1 0 294.370 2.099 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)Nc1ccccc1N1CCCC1=O ZINC000136428327 419446319 /nfs/dbraw/zinc/44/63/19/419446319.db2.gz WYDSEXBOAXPLDL-GFCCVEGCSA-N 1 0 289.379 2.125 10 0 CEAERO COc1ccc(CN(C)C(=O)C[C@@H]([NH3+])C(C)C)cc1OC ZINC000136374347 419447364 /nfs/dbraw/zinc/44/73/64/419447364.db2.gz BCSACWDAIPMILC-CYBMUJFWSA-N 1 0 294.395 2.036 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000136449636 419448191 /nfs/dbraw/zinc/44/81/91/419448191.db2.gz NMEYSHQKCPLXCB-HUUCEWRRSA-N 1 0 260.381 2.376 10 0 CEAERO Cc1ccc(C[C@@H](C)NC(=O)C[C@H]([NH3+])C(C)C)s1 ZINC000136471005 419448511 /nfs/dbraw/zinc/44/85/11/419448511.db2.gz WVQUMGZEXJRNPJ-MFKMUULPSA-N 1 0 268.426 2.477 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)N(Cc1ccccn1)C(C)C ZINC000136397457 419448531 /nfs/dbraw/zinc/44/85/31/419448531.db2.gz AWRBZHXCAXSCAQ-AWEZNQCLSA-N 1 0 263.385 2.192 10 0 CEAERO CC[C@H](NC(=O)C[C@H]([NH3+])C(C)C)c1nccs1 ZINC000136471189 419448796 /nfs/dbraw/zinc/44/87/96/419448796.db2.gz FYYJYPWGOQNQSP-UWVGGRQHSA-N 1 0 255.387 2.084 10 0 CEAERO C[C@H](CC[NH2+][C@@H]1CCSC1)NC(=O)OC(C)(C)C ZINC000221969447 262508744 /nfs/dbraw/zinc/50/87/44/262508744.db2.gz GIWVQMIHLTYLNO-GHMZBOCLSA-N 1 0 274.430 2.385 10 0 CEAERO CCC[C@@H](C)[NH+]1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000187682970 270255310 /nfs/dbraw/zinc/25/53/10/270255310.db2.gz JXZNEQMRVHFYQW-NEPJUHHUSA-N 1 0 266.389 2.245 10 0 CEAERO CCc1ccc(CNC(=O)C[C@H]2CCC[NH2+]C2)s1 ZINC000225346496 270309715 /nfs/dbraw/zinc/30/97/15/270309715.db2.gz MNBMQYVJSPYMPB-LLVKDONJSA-N 1 0 266.410 2.316 10 0 CEAERO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000392917390 270341807 /nfs/dbraw/zinc/34/18/07/270341807.db2.gz GVQFIIFTCXEMQH-VOAKCMCISA-N 1 0 252.402 2.458 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]CCC2(CO)CC2)c1C ZINC000395865582 270348777 /nfs/dbraw/zinc/34/87/77/270348777.db2.gz GPCHVGGXGGLCSW-LLVKDONJSA-N 1 0 265.401 2.333 10 0 CEAERO CC(C)(C)OC(=O)NCCC(C)(C)[NH2+]Cc1cncnc1 ZINC000397442869 270354195 /nfs/dbraw/zinc/35/41/95/270354195.db2.gz GPXRSMNDXRJGCF-UHFFFAOYSA-N 1 0 294.399 2.260 10 0 CEAERO C[C@@H]1CN(c2ccc(C(F)(F)F)cn2)[C@H](C)C[NH2+]1 ZINC000083431685 274362830 /nfs/dbraw/zinc/36/28/30/274362830.db2.gz IHQDPTSBLPWINU-RKDXNWHRSA-N 1 0 259.275 2.287 10 0 CEAERO C[C@@H]1CN(c2cncc(Br)c2)C[C@@H]1[NH+](C)C ZINC000158065073 274366977 /nfs/dbraw/zinc/36/69/77/274366977.db2.gz TZOYYUJAJLPODG-SKDRFNHKSA-N 1 0 284.201 2.230 10 0 CEAERO C[C@H]1CN(c2ncc(Cl)cc2Br)C[C@@H]1[NH3+] ZINC000235654781 274599318 /nfs/dbraw/zinc/59/93/18/274599318.db2.gz UKKUXCUOIGTIQM-RCOVLWMOSA-N 1 0 290.592 2.281 10 0 CEAERO C[C@H]1CCN(c2ncc(Cl)cc2F)[C@H](C[NH3+])C1 ZINC000261544114 274563911 /nfs/dbraw/zinc/56/39/11/274563911.db2.gz WTJLKIMMRQKOFD-WPRPVWTQSA-N 1 0 257.740 2.438 10 0 CEAERO Cc1sc2nc(C)nc(N[C@H](C)C[NH3+])c2c1C ZINC000310415257 274878890 /nfs/dbraw/zinc/87/88/90/274878890.db2.gz XRBVLFVVWZQXSP-ZCFIWIBFSA-N 1 0 250.371 2.376 10 0 CEAERO O=C1Nc2ccccc2CC[C@H]1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248845894 275025858 /nfs/dbraw/zinc/02/58/58/275025858.db2.gz NCOZEECQJMGIMJ-DOTOQJQBSA-N 1 0 299.418 2.110 10 0 CEAERO O[C@H](Cc1ccccc1)C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000193672908 275058310 /nfs/dbraw/zinc/05/83/10/275058310.db2.gz JNZMOMZBOQPZQY-IKGGRYGDSA-N 1 0 275.392 2.233 10 0 CEAERO Brc1ccc(N2CCC3(C2)CC[NH2+]CC3)nc1 ZINC000335303373 275369511 /nfs/dbraw/zinc/36/95/11/275369511.db2.gz YHFJZIJHYYYVQN-UHFFFAOYSA-N 1 0 296.212 2.424 10 0 CEAERO CC(C)c1ccc(S(=O)(=O)NCC[C@H]2CCC[NH2+]2)cc1 ZINC000166772792 275744238 /nfs/dbraw/zinc/74/42/38/275744238.db2.gz TXMPUDUBGBOHLW-CQSZACIVSA-N 1 0 296.436 2.230 10 0 CEAERO CC1(C)CN(C(=O)N[C@H]2CCC23CCCC3)CC[C@@H]1[NH3+] ZINC000335143644 275837924 /nfs/dbraw/zinc/83/79/24/275837924.db2.gz ZHWRWDAQXYTQHG-STQMWFEESA-N 1 0 279.428 2.478 10 0 CEAERO CC1(C)CN(c2ncc(Cl)cc2F)CC[C@@H]1[NH3+] ZINC000261542471 275851678 /nfs/dbraw/zinc/85/16/78/275851678.db2.gz CGMKCLXMAMPESC-JTQLQIEISA-N 1 0 257.740 2.438 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(C(C)C)n(C)n1 ZINC000176993723 276169561 /nfs/dbraw/zinc/16/95/61/276169561.db2.gz MELGKHLTWRQVHK-CYBMUJFWSA-N 1 0 292.427 2.100 10 0 CEAERO CCN1CC[C@@H]([NH2+][C@@H]2CCCc3ccc(O)cc32)C1 ZINC000334579877 276217519 /nfs/dbraw/zinc/21/75/19/276217519.db2.gz QADFZTBHPPAZQC-CZUORRHYSA-N 1 0 260.381 2.453 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+]Cc2c(C)noc2C)C12CCOCC2 ZINC000186275484 276362554 /nfs/dbraw/zinc/36/25/54/276362554.db2.gz QLSXWWXOCUIUCW-CABCVRRESA-N 1 0 294.395 2.355 10 0 CEAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCC13CCCC3)CC2 ZINC000189161930 276703545 /nfs/dbraw/zinc/70/35/45/276703545.db2.gz BCPIFTXBLTZKAS-CHWSQXEVSA-N 1 0 274.412 2.468 10 0 CEAERO C[NH2+]C[C@H]1CCCN(c2ncccc2Br)C1 ZINC000042376061 277031759 /nfs/dbraw/zinc/03/17/59/277031759.db2.gz SCPYFFUXFYYPOX-SNVBAGLBSA-N 1 0 284.201 2.280 10 0 CEAERO C[NH2+]CCCN(C)C(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000127184202 277266895 /nfs/dbraw/zinc/26/68/95/277266895.db2.gz CPTFEJFVNZPYBZ-CVEARBPZSA-N 1 0 290.407 2.222 10 0 CEAERO COC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000162453108 277347651 /nfs/dbraw/zinc/34/76/51/277347651.db2.gz AVYGACNQZYEANI-UONOGXRCSA-N 1 0 289.375 2.438 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC1CCC(C)(C)CC1 ZINC000094648573 278047787 /nfs/dbraw/zinc/04/77/87/278047787.db2.gz HBPRBLAAAIIELR-AAEUAGOBSA-N 1 0 252.402 2.460 10 0 CEAERO C[C@@H](C1CCN(c2cnccn2)CC1)[NH+]1CCCC1 ZINC000077422795 278220038 /nfs/dbraw/zinc/22/00/38/278220038.db2.gz QWBYIABORBTWDK-ZDUSSCGKSA-N 1 0 260.385 2.177 10 0 CEAERO C[C@@H](C[NH2+][C@@H]1CCCc2ccccc21)N1CCOCC1 ZINC000123484529 278285421 /nfs/dbraw/zinc/28/54/21/278285421.db2.gz LWUILIVHXSJHNE-WMLDXEAASA-N 1 0 274.408 2.374 10 0 CEAERO CC1(C)CN(C(=O)c2ccc(F)cc2F)CC[C@@H]1[NH3+] ZINC000259127967 278322294 /nfs/dbraw/zinc/32/22/94/278322294.db2.gz UNRIJAZAWBOISE-LBPRGKRZSA-N 1 0 268.307 2.164 10 0 CEAERO C[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1nccn1C ZINC000343536138 278352169 /nfs/dbraw/zinc/35/21/69/278352169.db2.gz PMQDJKIRLBTGGS-YVECIDJPSA-N 1 0 251.374 2.274 10 0 CEAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1nc2c(s1)CCCC2 ZINC000180488625 278355161 /nfs/dbraw/zinc/35/51/61/278355161.db2.gz UHJJONNRNIGMSV-NEPJUHHUSA-N 1 0 295.452 2.003 10 0 CEAERO C[C@@H]([NH2+][C@H]1CCc2c1cccc2O)C(=O)N1CCCCC1 ZINC000037784487 278386776 /nfs/dbraw/zinc/38/67/76/278386776.db2.gz OVXJIHKINDSMNF-DOMZBBRYSA-N 1 0 288.391 2.370 10 0 CEAERO Cc1cccc(C)c1NCC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000261836545 278917646 /nfs/dbraw/zinc/91/76/46/278917646.db2.gz PEKBRDGZYICNGK-IUODEOHRSA-N 1 0 289.423 2.301 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+][C@H]2CC(C)(C)C[C@H]2C)C1 ZINC000263453178 279059848 /nfs/dbraw/zinc/05/98/48/279059848.db2.gz AGPRZSMMURCZFW-RYSNWHEDSA-N 1 0 282.428 2.338 10 0 CEAERO C[C@H](C(=O)N1C[C@H](C)Cc2ccccc21)C1C[NH2+]C1 ZINC000164543722 279211460 /nfs/dbraw/zinc/21/14/60/279211460.db2.gz WHRJFECWEMRJQZ-NEPJUHHUSA-N 1 0 258.365 2.067 10 0 CEAERO C[C@H](CCn1cccn1)[NH2+][C@H]1COc2ccccc21 ZINC000183895640 279276472 /nfs/dbraw/zinc/27/64/72/279276472.db2.gz ANUZMQXBHCLMCB-OCCSQVGLSA-N 1 0 257.337 2.385 10 0 CEAERO C[C@H](C[NH3+])C(=O)NC[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000262447560 279285825 /nfs/dbraw/zinc/28/58/25/279285825.db2.gz VNHKOQSKKDSJMK-BBBLOLIVSA-N 1 0 266.307 2.066 10 0 CEAERO C[C@H](CNC(=O)[C@H]1CCCO[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000249208050 279343113 /nfs/dbraw/zinc/34/31/13/279343113.db2.gz CDKCTLBICRISGE-TUVASFSCSA-N 1 0 282.428 2.038 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]CC(C)(C)OCC)C12CCOCC2 ZINC000188684097 279813251 /nfs/dbraw/zinc/81/32/51/279813251.db2.gz SKXXTTUYTLLVKP-ZIAGYGMSSA-N 1 0 285.428 2.365 10 0 CEAERO Cc1cc(C)c(CN2CCO[C@H](C[NH+](C)C)C2)cc1C ZINC000128097398 279880018 /nfs/dbraw/zinc/88/00/18/279880018.db2.gz XBVMTQKVEXJKIY-QGZVFWFLSA-N 1 0 276.424 2.374 10 0 CEAERO CCO[C@H]1C[C@@H](N(C)C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1(C)C ZINC000261668220 279912296 /nfs/dbraw/zinc/91/22/96/279912296.db2.gz FSKVFNKTLMFKIV-SYQHCUMBSA-N 1 0 282.428 2.023 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cccc(Cl)c1F ZINC000229586007 280048601 /nfs/dbraw/zinc/04/86/01/280048601.db2.gz LFHSOJVBKOJUIL-LDYMZIIASA-N 1 0 270.735 2.349 10 0 CEAERO CC(C)(C)OC(=O)NC1CC([NH2+][C@@H]2CCCCC[C@H]2O)C1 ZINC000135625355 280051738 /nfs/dbraw/zinc/05/17/38/280051738.db2.gz UYCNVKLHHZTVBJ-NWINJMCUSA-N 1 0 298.427 2.325 10 0 CEAERO C[C@]([NH3+])(C(=O)Nc1nc2ccccc2[nH]1)c1ccccc1 ZINC000110538200 280141496 /nfs/dbraw/zinc/14/14/96/280141496.db2.gz DSSQCIKHAFPBAB-MRXNPFEDSA-N 1 0 280.331 2.376 10 0 CEAERO CC[C@@H](O)C[NH+]1CCN([C@@H](C)c2c(F)cccc2F)CC1 ZINC000174095686 280208364 /nfs/dbraw/zinc/20/83/64/280208364.db2.gz MQCNQFFLVQWNPF-QWHCGFSZSA-N 1 0 298.377 2.414 10 0 CEAERO CCC[C@H](C(=O)OCC)[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000224022449 280213446 /nfs/dbraw/zinc/21/34/46/280213446.db2.gz YZFWYUMNJCSVHM-FMKPAKJESA-N 1 0 283.412 2.345 10 0 CEAERO CCOC(=O)COCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC000233679680 280219899 /nfs/dbraw/zinc/21/98/99/280219899.db2.gz WGIPAXDXLRFLBA-ZDUSSCGKSA-N 1 0 265.353 2.225 10 0 CEAERO COC(=O)c1ccc(N[C@@H](C[NH3+])C2CCCC2)nc1C ZINC000234565584 280220433 /nfs/dbraw/zinc/22/04/33/280220433.db2.gz ZJXJRURJPLMXAR-ZDUSSCGKSA-N 1 0 277.368 2.106 10 0 CEAERO COC[C@H](C)OC[C@H](O)C[NH2+][C@H](C)c1cccc(C)c1 ZINC000234850460 280220888 /nfs/dbraw/zinc/22/08/88/280220888.db2.gz OUCIVPUMSFOMLU-SQWLQELKSA-N 1 0 281.396 2.058 10 0 CEAERO C[C@H](CCS(C)(=O)=O)[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000245602656 280252654 /nfs/dbraw/zinc/25/26/54/280252654.db2.gz GNLHFYFFOIPNIL-YWPYICTPSA-N 1 0 281.421 2.333 10 0 CEAERO CC1(C)CCC[C@H]1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246402891 280291647 /nfs/dbraw/zinc/29/16/47/280291647.db2.gz AOTBDFWATHNRBD-UONOGXRCSA-N 1 0 279.428 2.445 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2C[C@@H]2C)C1 ZINC000246409480 280291947 /nfs/dbraw/zinc/29/19/47/280291947.db2.gz QODCSZMRCBTYGB-BFHYXJOUSA-N 1 0 267.417 2.062 10 0 CEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N(C)CCC2CC2)C1 ZINC000246513592 280298294 /nfs/dbraw/zinc/29/82/94/280298294.db2.gz UGZCBDBDCGBGNF-GXTWGEPZSA-N 1 0 267.417 2.157 10 0 CEAERO Cc1cc(Br)cnc1N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261565796 280311431 /nfs/dbraw/zinc/31/14/31/280311431.db2.gz YNOGAUKNNLIHHQ-CYBMUJFWSA-N 1 0 296.212 2.342 10 0 CEAERO C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000246835389 280311385 /nfs/dbraw/zinc/31/13/85/280311385.db2.gz DCGBWUANOMXCBN-GXTWGEPZSA-N 1 0 296.361 2.432 10 0 CEAERO CCCCOC[C@@H](O)C[N@@H+]1CCS[C@@H](C(C)C)C1 ZINC000248646903 280357059 /nfs/dbraw/zinc/35/70/59/280357059.db2.gz HYGWHVMLUOUMSP-UONOGXRCSA-N 1 0 275.458 2.237 10 0 CEAERO C[C@@H]1CCC[C@@H](CC[N@@H+]2CCCNC(=O)[C@H]2C)C1 ZINC000248890922 280371858 /nfs/dbraw/zinc/37/18/58/280371858.db2.gz AXISNPXKDRZUOS-MCIONIFRSA-N 1 0 252.402 2.413 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCCOCC2)C12CCOCC2 ZINC000248986392 280378084 /nfs/dbraw/zinc/37/80/84/280378084.db2.gz KBIUXAGQNDOMIL-RRFJBIMHSA-N 1 0 283.412 2.119 10 0 CEAERO CCc1ccccc1CN1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000249081417 280382869 /nfs/dbraw/zinc/38/28/69/280382869.db2.gz ADWCUVHUZLVZPT-CABCVRRESA-N 1 0 276.424 2.136 10 0 CEAERO C[C@H](C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CCOCC1 ZINC000249093040 280383842 /nfs/dbraw/zinc/38/38/42/280383842.db2.gz DUAKGZTZXLTYEG-JHJVBQTASA-N 1 0 294.361 2.418 10 0 CEAERO C[C@@H]1CCC[C@@H](NC(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000249138792 280386500 /nfs/dbraw/zinc/38/65/00/280386500.db2.gz XJYBFRVMLMGODK-MGPQQGTHSA-N 1 0 267.417 2.301 10 0 CEAERO CC[C@@](C)(O)C[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000249319255 280393033 /nfs/dbraw/zinc/39/30/33/280393033.db2.gz FVQGMFAJFCMRAG-JKSUJKDBSA-N 1 0 263.381 2.091 10 0 CEAERO Cc1cc(Cl)ccc1C[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000282391656 280506362 /nfs/dbraw/zinc/50/63/62/280506362.db2.gz OZOKFJRFNWJXTM-GXFFZTMASA-N 1 0 266.772 2.405 10 0 CEAERO Cc1cc(NCC(C)(C)[NH3+])ncc1Br ZINC000163964480 280626175 /nfs/dbraw/zinc/62/61/75/280626175.db2.gz BNNHISJDTWGGCP-UHFFFAOYSA-N 1 0 258.163 2.302 10 0 CEAERO Cc1ccc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)c(C)c1O ZINC000070575256 280907422 /nfs/dbraw/zinc/90/74/22/280907422.db2.gz GJDOKWKMMBILRV-NWDGAFQWSA-N 1 0 262.353 2.465 10 0 CEAERO Cc1cccc(OCCC(=O)N2CC[C@@H]([NH3+])[C@@H]2C)c1C ZINC000423654355 281075052 /nfs/dbraw/zinc/07/50/52/281075052.db2.gz AMUSRMKMZUTINJ-UONOGXRCSA-N 1 0 276.380 2.020 10 0 CEAERO C[C@H]1CN(C(=O)CSCc2ccc(Cl)cc2)C[C@H]1[NH3+] ZINC000423946672 281107823 /nfs/dbraw/zinc/10/78/23/281107823.db2.gz IVCPPZRGSIBZAX-GXFFZTMASA-N 1 0 298.839 2.379 10 0 CEAERO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)C[C@H]1[NH3+] ZINC000423989055 281109968 /nfs/dbraw/zinc/10/99/68/281109968.db2.gz YBMLAYORLDEQOA-GZBLMMOJSA-N 1 0 264.413 2.399 10 0 CEAERO CC[C@H]1CC[C@H](C(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])CC1 ZINC000262231098 281110189 /nfs/dbraw/zinc/11/01/89/281110189.db2.gz NZEDXBWZLJMTKF-KBUPBQIOSA-N 1 0 282.428 2.168 10 0 CEAERO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)CC2 ZINC000282362242 281125911 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Cc1cccc(C[C@H]([NH2+]C[C@H]2CN(C)CCO2)C2CC2)c1 ZINC000180500972 281219673 /nfs/dbraw/zinc/21/96/73/281219673.db2.gz YGKILQYTIPKJBR-ROUUACIJSA-N 1 0 288.435 2.236 10 0 CEAERO Cc1ccccc1C[C@H](C)NC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000246779781 281345171 /nfs/dbraw/zinc/34/51/71/281345171.db2.gz CAQVMGDOQWLSLZ-AEGPPILISA-N 1 0 260.381 2.170 10 0 CEAERO Cc1ccnc(NCC(C)(C)[NH3+])c1Br ZINC000235788202 281469966 /nfs/dbraw/zinc/46/99/66/281469966.db2.gz FPHDWRGQVYRDCW-UHFFFAOYSA-N 1 0 258.163 2.302 10 0 CEAERO COCC[C@H](C)[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000045018363 292677496 /nfs/dbraw/zinc/67/74/96/292677496.db2.gz DECHERRPBOVWSH-DZGCQCFKSA-N 1 0 250.386 2.304 10 0 CEAERO CN(C(=O)[C@H]1CCC[C@@H]([NH3+])C1)C(C1CC1)C1CC1 ZINC000154078275 288909027 /nfs/dbraw/zinc/90/90/27/288909027.db2.gz YOOYJUCMCVUQGS-QWHCGFSZSA-N 1 0 250.386 2.151 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(F)cc1Cl ZINC000261550272 288981328 /nfs/dbraw/zinc/98/13/28/288981328.db2.gz LDTCXJVYFBLAPA-HQJQHLMTSA-N 1 0 256.708 2.041 10 0 CEAERO CCc1noc(C)c1NC(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000155303109 289170423 /nfs/dbraw/zinc/17/04/23/289170423.db2.gz SLOSUFXBPSFWKI-LLVKDONJSA-N 1 0 280.372 2.151 10 0 CEAERO OC1(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)CCOCC1 ZINC000156230753 289192253 /nfs/dbraw/zinc/19/22/53/289192253.db2.gz UOOCEGAMCUQWHZ-CQSZACIVSA-N 1 0 281.783 2.458 10 0 CEAERO C[NH+](C)C[C@@H]1CN(C(=O)C[C@@H]2CCCCC2(C)C)CCO1 ZINC000152082149 289197047 /nfs/dbraw/zinc/19/70/47/289197047.db2.gz UKYUGDAKOOBILI-LSDHHAIUSA-N 1 0 296.455 2.382 10 0 CEAERO C[NH+](C)C[C@@H]1CN(CC2CCC(C)(C)CC2)CCO1 ZINC000156642625 289199790 /nfs/dbraw/zinc/19/97/90/289199790.db2.gz HCVDWBLYEKEJCW-OAHLLOKOSA-N 1 0 268.445 2.465 10 0 CEAERO CCC[C@H](NC[C@@H](O)C[NH+]1CCCCC1)c1ccccn1 ZINC000158771969 289240295 /nfs/dbraw/zinc/24/02/95/289240295.db2.gz UREVRSFVLQSCEG-CVEARBPZSA-N 1 0 291.439 2.359 10 0 CEAERO CCC[C@@H](NC[C@@H](O)C[NH+]1CCCCC1)c1ccccn1 ZINC000158772084 289240370 /nfs/dbraw/zinc/24/03/70/289240370.db2.gz UREVRSFVLQSCEG-HZPDHXFCSA-N 1 0 291.439 2.359 10 0 CEAERO CC(=O)Nc1ccc(C[NH2+]C[C@@H](O)C(C)(C)C)cc1 ZINC000304029964 289270329 /nfs/dbraw/zinc/27/03/29/289270329.db2.gz FWBWNHRFCYMDSR-CQSZACIVSA-N 1 0 264.369 2.142 10 0 CEAERO C[C@H](C(=O)N1CC[C@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000261573942 289301624 /nfs/dbraw/zinc/30/16/24/289301624.db2.gz WIXZQYOIEHVDNQ-JSGCOSHPSA-N 1 0 260.381 2.376 10 0 CEAERO CO[C@H](C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400764643 294280463 /nfs/dbraw/zinc/28/04/63/294280463.db2.gz ZCJGKDZOQANDKY-JHJVBQTASA-N 1 0 286.416 2.256 10 0 CEAERO C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000191463532 297571378 /nfs/dbraw/zinc/57/13/78/297571378.db2.gz HGTJWOVWOBPOHH-HRCADAONSA-N 1 0 294.439 2.278 10 0 CEAERO C[C@H](C(=O)NCC[C@H]1CCCC[C@H]1C)C1C[NH2+]C1 ZINC000262179708 298156286 /nfs/dbraw/zinc/15/62/86/298156286.db2.gz KYABRGQJKVKRQZ-FRRDWIJNSA-N 1 0 252.402 2.175 10 0 CEAERO C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000262907633 300818861 /nfs/dbraw/zinc/81/88/61/300818861.db2.gz FGNZCCLYNRPMAP-NYTXWWLZSA-N 1 0 280.412 2.064 10 0 CEAERO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000246727130 302165162 /nfs/dbraw/zinc/16/51/62/302165162.db2.gz YAGJGHDVDNBSRR-OEAJRASXSA-N 1 0 272.392 2.342 10 0 CEAERO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000246727148 302165257 /nfs/dbraw/zinc/16/52/57/302165257.db2.gz YAGJGHDVDNBSRR-TUUVXOQKSA-N 1 0 272.392 2.342 10 0 CEAERO [NH3+]C1(C(=O)N[C@H]2CCCc3ccccc32)CCCC1 ZINC000037616206 303356319 /nfs/dbraw/zinc/35/63/19/303356319.db2.gz RIDSNPOSMHOHDM-AWEZNQCLSA-N 1 0 258.365 2.452 10 0 CEAERO C[N@@H+]1Cc2ccc(NC[C@@H](O)CC(F)(F)F)cc2C1 ZINC000577386583 314371680 /nfs/dbraw/zinc/37/16/80/314371680.db2.gz QDONRVHRIVWNCE-LBPRGKRZSA-N 1 0 274.286 2.357 10 0 CEAERO CCc1nc(CN(C)C(=O)[C@]2(C)CCCC[NH2+]2)cs1 ZINC000393245323 329085340 /nfs/dbraw/zinc/08/53/40/329085340.db2.gz SFCMDKORIFQADB-AWEZNQCLSA-N 1 0 281.425 2.196 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]CC2([S@](C)=O)CC2)c1C ZINC000380188154 321829386 /nfs/dbraw/zinc/82/93/86/321829386.db2.gz VIIYLKXEWQKHIV-OVWNDWIMSA-N 1 0 283.441 2.082 10 0 CEAERO C[C@H](NC(=O)[C@]1(C)CCC[NH2+]1)[C@H]1CC2CCC1CC2 ZINC000381990289 321837764 /nfs/dbraw/zinc/83/77/64/321837764.db2.gz XIPNWHVOOFTOIM-HVFMXULDSA-N 1 0 264.413 2.460 10 0 CEAERO C[C@H](CC[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C)NC(=O)OC(C)(C)C ZINC000385101148 321857801 /nfs/dbraw/zinc/85/78/01/321857801.db2.gz HQYPOSBCPAGFON-FDYHWXHSSA-N 1 0 286.416 2.445 10 0 CEAERO CC[C@@H](C)NC(=O)C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000394290798 329116383 /nfs/dbraw/zinc/11/63/83/329116383.db2.gz ZIHQYUIDECZIHQ-YVWFZZAJSA-N 1 0 264.413 2.315 10 0 CEAERO CC(C)[C@H]1CCCCN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000396091928 329309119 /nfs/dbraw/zinc/30/91/19/329309119.db2.gz OYUCGKDCKZZLSI-ZIAGYGMSSA-N 1 0 252.402 2.413 10 0 CEAERO C[C@H](C[NH2+]C[C@@H](O)COCc1ccco1)CC(F)(F)F ZINC000396897740 329318400 /nfs/dbraw/zinc/31/84/00/329318400.db2.gz ABXIXXPDNADJLR-WDEREUQCSA-N 1 0 295.301 2.335 10 0 CEAERO COc1ccc2c(n1)c(C[NH3+])cn2C(=O)OC(C)(C)C ZINC000536952732 330382591 /nfs/dbraw/zinc/38/25/91/330382591.db2.gz FBBKUXRCRVIJJK-UHFFFAOYSA-N 1 0 277.324 2.287 10 0 CEAERO COc1cc(Br)c2ccnc(C[NH3+])c2c1 ZINC000521400982 333249991 /nfs/dbraw/zinc/24/99/91/333249991.db2.gz IAXSNANMBOIOEH-UHFFFAOYSA-N 1 0 267.126 2.465 10 0 CEAERO CC(C)CC[N@H+](C)Cc1ccnc(C(N)=S)c1 ZINC000068752229 519650825 /nfs/dbraw/zinc/65/08/25/519650825.db2.gz WLAORTQXCBOLNO-UHFFFAOYSA-N 1 0 251.399 2.194 10 0 CEAERO CC(C)N1C(=O)C[C@H]([NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000062209416 519666747 /nfs/dbraw/zinc/66/67/47/519666747.db2.gz VKXFWAWIAPSXHR-AAEUAGOBSA-N 1 0 252.745 2.349 10 0 CEAERO CC(C)[NH2+]C[C@@H](C)COc1cccc(S(C)(=O)=O)c1 ZINC000052701477 519722481 /nfs/dbraw/zinc/72/24/81/519722481.db2.gz RNCBUKRLWCVEOX-GFCCVEGCSA-N 1 0 285.409 2.103 10 0 CEAERO CC(C)C[NH+]1CCN(c2cccc(F)c2N)CC1 ZINC000055085629 519729271 /nfs/dbraw/zinc/72/92/71/519729271.db2.gz RFTJJSHARYDEAA-UHFFFAOYSA-N 1 0 251.349 2.186 10 0 CEAERO CC(C)N[C@](C)(C[C@@H](C)[N@H+](CC1CC1)C(C)C)C(N)=O ZINC000068637950 519739668 /nfs/dbraw/zinc/73/96/68/519739668.db2.gz GRHVNSFDHUWHFL-CZUORRHYSA-N 1 0 283.460 2.127 10 0 CEAERO CCCC1CCC([NH2+][C@@H](C)C(=O)NC(=O)NCC)CC1 ZINC000049545391 519898955 /nfs/dbraw/zinc/89/89/55/519898955.db2.gz OXUSRFWBKLKMED-HIFPTAJRSA-N 1 0 283.416 2.169 10 0 CEAERO CC[NH2+]CCC(=O)N(CC)Cc1ccc(OC)cc1 ZINC000061295691 519915222 /nfs/dbraw/zinc/91/52/22/519915222.db2.gz XCIDAVLJCVUCOB-UHFFFAOYSA-N 1 0 264.369 2.043 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000061268201 519962204 /nfs/dbraw/zinc/96/22/04/519962204.db2.gz RIRCFRRZTAVFHL-DZGCQCFKSA-N 1 0 260.381 2.248 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N[C@@H](C)Cc1cccs1 ZINC000061231849 519963772 /nfs/dbraw/zinc/96/37/72/519963772.db2.gz CESYTFMRWMMKAT-QWRGUYRKSA-N 1 0 254.399 2.041 10 0 CEAERO CCC[NH2+]Cc1nnnn1[C@@H](C)c1cc(C)sc1C ZINC000054747093 519970306 /nfs/dbraw/zinc/97/03/06/519970306.db2.gz CCHVDJAQUBUHEF-JTQLQIEISA-N 1 0 279.413 2.460 10 0 CEAERO CCC[NH2+]Cc1sc(N(C)CCOC)nc1C ZINC000055001741 519975656 /nfs/dbraw/zinc/97/56/56/519975656.db2.gz DCGQKBJQVAORSU-UHFFFAOYSA-N 1 0 257.403 2.034 10 0 CEAERO CC[NH2+]Cc1cc(CN2CCOC(C)(C)C2)oc1C ZINC000052481785 519990321 /nfs/dbraw/zinc/99/03/21/519990321.db2.gz YSSGBNOMQFQEKS-UHFFFAOYSA-N 1 0 266.385 2.308 10 0 CEAERO CC[NH2+]Cc1ccc(OC)cc1OC[C@@H](O)C(F)(F)F ZINC000068877037 519997703 /nfs/dbraw/zinc/99/77/03/519997703.db2.gz RLJYBJPCJJHUQI-GFCCVEGCSA-N 1 0 293.285 2.107 10 0 CEAERO CC[NH2+]Cc1nc(CN2CCC[C@H](C)C2)cs1 ZINC000052381044 520021423 /nfs/dbraw/zinc/02/14/23/520021423.db2.gz ZLPOTYFOUMQKKS-NSHDSACASA-N 1 0 253.415 2.485 10 0 CEAERO CCC[NH2+][C@@](CSc1ccccc1)(C(N)=O)C1CC1 ZINC000069185546 520056493 /nfs/dbraw/zinc/05/64/93/520056493.db2.gz HVEXIJICHONUFD-OAHLLOKOSA-N 1 0 278.421 2.412 10 0 CEAERO CCC[NH2+][C@H](CC[N@H+](CC(C)C)C(C)C)C(=O)[O-] ZINC000062525345 520071043 /nfs/dbraw/zinc/07/10/43/520071043.db2.gz GJSKXCNFKJWCSZ-CYBMUJFWSA-N 1 0 258.406 2.196 10 0 CEAERO CCCN[C@H](CC[N@H+](CC)[C@@H](C)CC)C(=O)OCC ZINC000062446449 520071980 /nfs/dbraw/zinc/07/19/80/520071980.db2.gz KXABIHASFPNYRI-UONOGXRCSA-N 1 0 272.433 2.428 10 0 CEAERO CCCN[C@H](CC[NH+]1CCCCCCC1)C(=O)OC ZINC000062438832 520073624 /nfs/dbraw/zinc/07/36/24/520073624.db2.gz LYSMLSSWAYBMDR-CQSZACIVSA-N 1 0 270.417 2.184 10 0 CEAERO CCCN[C@H](CC[N@@H+]1CCCC[C@@H]1CC)C(=O)OC ZINC000062446206 520073749 /nfs/dbraw/zinc/07/37/49/520073749.db2.gz SNDMAFSWDDKPSC-UONOGXRCSA-N 1 0 270.417 2.182 10 0 CEAERO CCN[C@@H](CC[N@H+](C)[C@@H]1CCCC[C@@H]1C)C(=O)OCC ZINC000062522495 520085541 /nfs/dbraw/zinc/08/55/41/520085541.db2.gz BXGLLJAYKXITCJ-SOUVJXGZSA-N 1 0 284.444 2.428 10 0 CEAERO CC[NH2+][C@@H](Cc1nc(C)cs1)c1ccnn1C ZINC000069467882 520108595 /nfs/dbraw/zinc/10/85/95/520108595.db2.gz QOBCGWSUIXKEFQ-JTQLQIEISA-N 1 0 250.371 2.078 10 0 CEAERO CCC[NH2+][C@](CSc1nc(C)cs1)(C(N)=O)C1CC1 ZINC000069187876 520125304 /nfs/dbraw/zinc/12/53/04/520125304.db2.gz ZRTTUMJIZBETTR-ZDUSSCGKSA-N 1 0 299.465 2.177 10 0 CEAERO CCN[C@@](C)(C[C@H](C)[N@H+]1C[C@H](C)C[C@H](C)C1)C(=O)OC ZINC000068618140 520144681 /nfs/dbraw/zinc/14/46/81/520144681.db2.gz IOXKKLFNGGQGPN-FQLMCAECSA-N 1 0 284.444 2.284 10 0 CEAERO CCCCC[N@H+](CC[C@H](NC)C(=O)OCC)C(C)C ZINC000062463091 520174674 /nfs/dbraw/zinc/17/46/74/520174674.db2.gz FJOMVQNLSIMQPA-AWEZNQCLSA-N 1 0 272.433 2.428 10 0 CEAERO CC[NH2+][C@H](C)c1cc(Br)ccc1OCCO ZINC000052067351 520175921 /nfs/dbraw/zinc/17/59/21/520175921.db2.gz BHILFDHZIPXAKN-SECBINFHSA-N 1 0 288.185 2.491 10 0 CEAERO CC[NH2+][C@H](CCCS(C)(=O)=O)c1ccccc1OC ZINC000063016723 520184354 /nfs/dbraw/zinc/18/43/54/520184354.db2.gz YIGKWTWNBSDOSN-CYBMUJFWSA-N 1 0 285.409 2.171 10 0 CEAERO CCCCC[C@@H](C[NH2+]C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000052951552 520292196 /nfs/dbraw/zinc/29/21/96/520292196.db2.gz SMWVUVRYNPGTOA-STQMWFEESA-N 1 0 273.442 2.370 10 0 CEAERO CCNc1ccc(CN2CCC([NH+](C)C)CC2)cn1 ZINC000050813740 520300423 /nfs/dbraw/zinc/30/04/23/520300423.db2.gz OXAJORHXIMHDLG-UHFFFAOYSA-N 1 0 262.401 2.039 10 0 CEAERO CC[NH+](CC)CCN[C@@]1(C(=O)OC)CCC[C@H](C)[C@@H]1C ZINC000068631301 520690036 /nfs/dbraw/zinc/69/00/36/520690036.db2.gz ADADNRLLUZAXJO-DZKIICNBSA-N 1 0 284.444 2.286 10 0 CEAERO CCCCOCCOc1cc(C)ccc1C(N)=[NH2+] ZINC000051580973 520792216 /nfs/dbraw/zinc/79/22/16/520792216.db2.gz VIDPXZVUEQRZPU-UHFFFAOYSA-N 1 0 250.342 2.475 10 0 CEAERO CCCc1ccc([C@H](CS(C)(=O)=O)[NH2+]CC)cc1 ZINC000054930433 521418536 /nfs/dbraw/zinc/41/85/36/521418536.db2.gz YXNBXHWHHQUZBI-AWEZNQCLSA-N 1 0 269.410 2.334 10 0 CEAERO CCC[N@H+](CC)CC[C@H](NC(C)C)C(=O)OCC ZINC000062447019 521611837 /nfs/dbraw/zinc/61/18/37/521611837.db2.gz GKNVHAQELWVVDF-ZDUSSCGKSA-N 1 0 258.406 2.038 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000061316953 521933117 /nfs/dbraw/zinc/93/31/17/521933117.db2.gz JAPUYURXEIUCIM-GFCCVEGCSA-N 1 0 296.436 2.254 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N[C@H]1CCCc2sccc21 ZINC000061365599 521939026 /nfs/dbraw/zinc/93/90/26/521939026.db2.gz VPEQDKSRNZPBNE-JTQLQIEISA-N 1 0 252.383 2.240 10 0 CEAERO C[NH2+]Cc1cc(Cl)ccc1OC[C@@H](O)C(F)(F)F ZINC000068876035 522111481 /nfs/dbraw/zinc/11/14/81/522111481.db2.gz LFPHTZADHYWERR-SNVBAGLBSA-N 1 0 283.677 2.361 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(F)cc1OCC(=O)OC(C)C ZINC000062746037 522333320 /nfs/dbraw/zinc/33/33/20/522333320.db2.gz XUDDZSLTCYIFFG-JTQLQIEISA-N 1 0 269.316 2.437 10 0 CEAERO C[NH2+][C@@H](C1=CCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000050327465 522341990 /nfs/dbraw/zinc/34/19/90/522341990.db2.gz OTMTXYBPJAAYQN-AWEZNQCLSA-N 1 0 265.378 2.461 10 0 CEAERO C[NH2+][C@H](C)c1cnc(Cc2csc(C)n2)nc1C ZINC000055296861 522453037 /nfs/dbraw/zinc/45/30/37/522453037.db2.gz UXHHLEIKHISUJG-MRVPVSSYSA-N 1 0 262.382 2.421 10 0 CEAERO CC[C@H]([NH2+]C)c1ccccc1OCCCC(=O)NC ZINC000068816246 522556556 /nfs/dbraw/zinc/55/65/56/522556556.db2.gz HXESWNFKBLLMOD-ZDUSSCGKSA-N 1 0 264.369 2.262 10 0 CEAERO C[C@H](Nc1ccc(OCC(F)(F)F)nc1)[C@H]1CC[NH2+]C1 ZINC000400454399 534026797 /nfs/dbraw/zinc/02/67/97/534026797.db2.gz PLVUTBBMVPPRMP-UWVGGRQHSA-N 1 0 289.301 2.433 10 0 CEAERO CC(C)n1ncnc1C[C@H]([NH3+])[C@H]1CCOc2ccccc21 ZINC000088613587 517501968 /nfs/dbraw/zinc/50/19/68/517501968.db2.gz FIGNTACNVXHUIS-JSGCOSHPSA-N 1 0 286.379 2.295 10 0 CEAERO CC[NH2+][C@@H](Cc1c(Cl)c(C)nn1C)c1cnn(C)c1C ZINC000097273944 517668429 /nfs/dbraw/zinc/66/84/29/517668429.db2.gz OOSIMRWRJBDUMT-LBPRGKRZSA-N 1 0 295.818 2.317 10 0 CEAERO Cc1cc(C[C@H]([NH3+])Cc2ccccc2Cl)n(C)n1 ZINC000089193871 518187242 /nfs/dbraw/zinc/18/72/42/518187242.db2.gz DMUZRFAJWJBMQI-GFCCVEGCSA-N 1 0 263.772 2.494 10 0 CEAERO C(NC1=[NH+]C2(CS1)CCCCC2)[C@@H]1CCOC1 ZINC000061147025 518395565 /nfs/dbraw/zinc/39/55/65/518395565.db2.gz ZJNCJHAYNZRVML-NSHDSACASA-N 1 0 254.399 2.418 10 0 CEAERO CC(=O)c1sc(N2CCC[C@H]2C[NH+](C)C)nc1C ZINC000061655423 518497437 /nfs/dbraw/zinc/49/74/37/518497437.db2.gz NZVHNNARVGAFHJ-NSHDSACASA-N 1 0 267.398 2.185 10 0 CEAERO CC(C)(C)[NH+]1CCN(c2nc3c(s2)[C@@H](O)CCC3)CC1 ZINC000054928194 518712291 /nfs/dbraw/zinc/71/22/91/518712291.db2.gz NRFKPSFDWNWFID-LBPRGKRZSA-N 1 0 295.452 2.433 10 0 CEAERO CC(C)(C)[NH2+]Cc1c(N2CCOCC2)nc2sccn12 ZINC000062734105 518762348 /nfs/dbraw/zinc/76/23/48/518762348.db2.gz PNKFHNQTTMKUGG-UHFFFAOYSA-N 1 0 294.424 2.121 10 0 CEAERO CC(C)(C)[NH2+]Cc1ccc(OCC(N)=O)c(Cl)c1 ZINC000062730216 518764579 /nfs/dbraw/zinc/76/45/79/518764579.db2.gz YVLHEWYMWWJOCD-UHFFFAOYSA-N 1 0 270.760 2.092 10 0 CEAERO CC(C)(C)[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000052377911 518764975 /nfs/dbraw/zinc/76/49/75/518764975.db2.gz CNKBJBUCAHWOHA-UHFFFAOYSA-N 1 0 262.397 2.407 10 0 CEAERO CC(C)(C)[NH2+]Cc1nnnn1[C@@H]1C[C@H]1c1ccccc1 ZINC000054747530 518770423 /nfs/dbraw/zinc/77/04/23/518770423.db2.gz RRFRRXBJTYMINC-QWHCGFSZSA-N 1 0 271.368 2.290 10 0 CEAERO CC(C)(C)[NH2+]Cc1nnnn1CCc1cc(F)cc(F)c1 ZINC000054746638 518770766 /nfs/dbraw/zinc/77/07/66/518770766.db2.gz XJCSWDDNKYCGJZ-UHFFFAOYSA-N 1 0 295.337 2.082 10 0 CEAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H](C)C(=O)N1CCCCCC1 ZINC000049555903 519342511 /nfs/dbraw/zinc/34/25/11/519342511.db2.gz ZSJZOIJEOSDLLV-HZPDHXFCSA-N 1 0 297.487 2.343 10 0 CEAERO CC(C)C(=O)NCC[NH2+][C@@H]1C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21 ZINC000216339435 519501213 /nfs/dbraw/zinc/50/12/13/519501213.db2.gz GBBCYYWPNAGRFJ-XLWJZTARSA-N 1 0 264.413 2.173 10 0 CEAERO CC(C)[N@H+](CCCO)[C@H](CC(N)=S)c1ccccc1 ZINC000055025299 519644666 /nfs/dbraw/zinc/64/46/66/519644666.db2.gz QHVSVCFXGWLQOA-CQSZACIVSA-N 1 0 280.437 2.497 10 0 CEAERO CC(C)N(CCCO)c1ccc(Cl)cc1C[NH3+] ZINC000052857415 519644773 /nfs/dbraw/zinc/64/47/73/519644773.db2.gz GYPCAOHRERYVIW-UHFFFAOYSA-N 1 0 256.777 2.396 10 0 CEAERO CC(C)CCC[C@@H](C)NS(=O)(=O)C[C@@H]1CCC[NH2+]C1 ZINC000049645555 519645576 /nfs/dbraw/zinc/64/55/76/519645576.db2.gz NAPMKXZWJGJQGX-ZIAGYGMSSA-N 1 0 290.473 2.120 10 0 CEAERO CC(C)[NH+](CCNC(=O)c1nc(N)ccc1Cl)C(C)C ZINC000050694093 519647927 /nfs/dbraw/zinc/64/79/27/519647927.db2.gz DBPHGWHXHOPVPD-UHFFFAOYSA-N 1 0 298.818 2.166 10 0 CEAERO CC(C)N(Cc1cccnc1C(N)=[NH2+])CC(F)(F)F ZINC000061658310 519659191 /nfs/dbraw/zinc/65/91/91/519659191.db2.gz CXSYZECYIBKKCT-UHFFFAOYSA-N 1 0 274.290 2.138 10 0 CEAERO CC(C)NC(=O)CCn1cc(CC[NH3+])c2ccccc21 ZINC000062950725 519704395 /nfs/dbraw/zinc/70/43/95/519704395.db2.gz XYHCJCTXAYSBBC-UHFFFAOYSA-N 1 0 273.380 2.057 10 0 CEAERO CC(C)[NH2+]CC1(CN(C)Cc2cscn2)CCOCC1 ZINC000052182272 519719761 /nfs/dbraw/zinc/71/97/61/519719761.db2.gz YNDIKJFKVYMONZ-UHFFFAOYSA-N 1 0 297.468 2.370 10 0 CEAERO CC(C)[NH2+]CCc1nnc(Cc2cccs2)o1 ZINC000050620225 519722724 /nfs/dbraw/zinc/72/27/24/519722724.db2.gz FZEJQSQWXXEYAZ-UHFFFAOYSA-N 1 0 251.355 2.262 10 0 CEAERO CC(C)[NH2+]CCc1nnc(-c2ccc3c(c2)CCO3)o1 ZINC000050892719 519722884 /nfs/dbraw/zinc/72/28/84/519722884.db2.gz HYXBXBAAUKHDMA-UHFFFAOYSA-N 1 0 273.336 2.212 10 0 CEAERO CC(C)[NH2+]C[C@@H]1CCCN(Cc2cscn2)C1 ZINC000063139444 519723588 /nfs/dbraw/zinc/72/35/88/519723588.db2.gz VNMGSOYUOBDEPX-LBPRGKRZSA-N 1 0 253.415 2.353 10 0 CEAERO CC(C)[NH2+]C[C@@H]1CC[C@H](Cn2cc(Cl)cn2)O1 ZINC000052577277 519723922 /nfs/dbraw/zinc/72/39/22/519723922.db2.gz SNDIZVFVNQYWAN-NWDGAFQWSA-N 1 0 257.765 2.082 10 0 CEAERO CC(C)[NH2+]C[C@@]1(CCOCC(F)(F)F)CCOC1 ZINC000054665019 519724265 /nfs/dbraw/zinc/72/42/65/519724265.db2.gz RGZRBPFONSBYCV-NSHDSACASA-N 1 0 269.307 2.360 10 0 CEAERO CC(C)[NH2+]C[C@@]1(CCS(C)(=O)=O)C[C@H]2CC[C@@H]1C2 ZINC000054639087 519724426 /nfs/dbraw/zinc/72/44/26/519724426.db2.gz QARBOMAIJJMKFB-BFHYXJOUSA-N 1 0 273.442 2.226 10 0 CEAERO CC(C)[NH2+]C[C@H](C)N1CCN(c2ccccc2F)CC1 ZINC000052374652 519724912 /nfs/dbraw/zinc/72/49/12/519724912.db2.gz YTDQRIBZPAQCKF-AWEZNQCLSA-N 1 0 279.403 2.334 10 0 CEAERO CC(C)[NH2+]Cc1ccc(CN2CCSCC2)o1 ZINC000052425548 519726608 /nfs/dbraw/zinc/72/66/08/519726608.db2.gz AGDWWSARGIFYKG-UHFFFAOYSA-N 1 0 254.399 2.326 10 0 CEAERO CC(C)[NH2+]Cc1ccc(CN2CCO[C@H](C)C2)cc1 ZINC000052382661 519726923 /nfs/dbraw/zinc/72/69/23/519726923.db2.gz CMILCUPKLDWBAJ-CQSZACIVSA-N 1 0 262.397 2.405 10 0 CEAERO CC(C)[NH2+]Cc1ccc(OCCOC(C)C)nc1 ZINC000051526659 519727444 /nfs/dbraw/zinc/72/74/44/519727444.db2.gz YPYRSVFXTWOQDZ-UHFFFAOYSA-N 1 0 252.358 2.383 10 0 CEAERO CC(C)CN1CC[NH+]([C@@H]2CCCCCC[C@@H]2O)CC1 ZINC000055080991 519727665 /nfs/dbraw/zinc/72/76/65/519727665.db2.gz PNXUVASBSLOFQF-CVEARBPZSA-N 1 0 268.445 2.344 10 0 CEAERO CC(C)C[NH+]1CCN(c2n[nH]c(=S)n2C(C)C)CC1 ZINC000055080503 519729133 /nfs/dbraw/zinc/72/91/33/519729133.db2.gz QKCWHNCQQMSUSJ-UHFFFAOYSA-N 1 0 283.445 2.300 10 0 CEAERO CC(C)[NH2+]Cc1nnc(-c2ccc3c(c2)CCO3)o1 ZINC000050892702 519729499 /nfs/dbraw/zinc/72/94/99/519729499.db2.gz JPWNHVFAIYWLAV-UHFFFAOYSA-N 1 0 259.309 2.170 10 0 CEAERO CC(C)[NH2+][C@@](C)(C[C@H](C)n1ccnc1C(C)C)C(N)=O ZINC000068648675 519737010 /nfs/dbraw/zinc/73/70/10/519737010.db2.gz JNWOPJWWLMBUKX-WFASDCNBSA-N 1 0 280.416 2.200 10 0 CEAERO CC(C)[NH2+][C@H](CSc1cccc(Cl)c1)C(N)=O ZINC000054186397 519738708 /nfs/dbraw/zinc/73/87/08/519738708.db2.gz ARHVILCSAIDJGV-LLVKDONJSA-N 1 0 272.801 2.284 10 0 CEAERO CC(C)[NH2+][C@](CO)(CN(C)c1ccccc1F)C1CC1 ZINC000070338671 519740523 /nfs/dbraw/zinc/74/05/23/519740523.db2.gz FCAINJHPKRSSQL-INIZCTEOSA-N 1 0 280.387 2.401 10 0 CEAERO CC(C)C[NH2+]C[C@@H]1CCCN1CCOCC(F)(F)F ZINC000053650153 519744989 /nfs/dbraw/zinc/74/49/89/519744989.db2.gz UWCOYBBRYMEUBV-LBPRGKRZSA-N 1 0 282.350 2.275 10 0 CEAERO CC(C)C[NH2+]C[C@H](C(C)C)N(C)Cc1cnn(C)c1 ZINC000052570265 519745586 /nfs/dbraw/zinc/74/55/86/519745586.db2.gz QROOLXVBIOTVOI-OAHLLOKOSA-N 1 0 266.433 2.122 10 0 CEAERO CC(C)C[NH2+]C[C@H](C)Cn1nnc(-c2ccccc2)n1 ZINC000052574768 519745845 /nfs/dbraw/zinc/74/58/45/519745845.db2.gz XSRUZEPBLNTGST-ZDUSSCGKSA-N 1 0 273.384 2.222 10 0 CEAERO CC(C)C[NH2+]C[C@H]1CCCN(c2ccnc(N(C)C)n2)C1 ZINC000068690257 519746113 /nfs/dbraw/zinc/74/61/13/519746113.db2.gz QRLUCSHCUULTSZ-CQSZACIVSA-N 1 0 291.443 2.005 10 0 CEAERO CC(C)C[NH2+]Cc1cc(COCCOC(C)C)on1 ZINC000052627341 519746674 /nfs/dbraw/zinc/74/66/74/519746674.db2.gz RWAWALZEDWROKZ-UHFFFAOYSA-N 1 0 270.373 2.362 10 0 CEAERO CC(C)C[NH2+]Cc1c(Cl)cccc1N1CCNC(=O)C1 ZINC000062734821 519746783 /nfs/dbraw/zinc/74/67/83/519746783.db2.gz YWVJTPFKPXVDHJ-UHFFFAOYSA-N 1 0 295.814 2.022 10 0 CEAERO CC(C)C[NH2+]Cc1nc(-c2cnn(C)c2)cs1 ZINC000061800539 519748485 /nfs/dbraw/zinc/74/84/85/519748485.db2.gz SUDUFBCSHOKUTD-UHFFFAOYSA-N 1 0 250.371 2.289 10 0 CEAERO CC(C)C[NH2+]Cc1nnnn1[C@H]1C[C@H]1c1ccccc1 ZINC000054747482 519748689 /nfs/dbraw/zinc/74/86/89/519748689.db2.gz VVDVUBDIZLYVOH-KBPBESRZSA-N 1 0 271.368 2.147 10 0 CEAERO CC(C)C[NH2+]Cc1nnnn1C[C@@H]1CCCC[C@@H]1C ZINC000054746969 519748872 /nfs/dbraw/zinc/74/88/72/519748872.db2.gz JTJKSRGLVFUCSW-STQMWFEESA-N 1 0 265.405 2.245 10 0 CEAERO CC(C)C[C@@H](C[NH+](C)C)Nc1cc2c(cc1N)OCCO2 ZINC000049554991 519775918 /nfs/dbraw/zinc/77/59/18/519775918.db2.gz IIESFVFFZSNXGH-LBPRGKRZSA-N 1 0 293.411 2.428 10 0 CEAERO CC(C)Oc1cccc(C(=O)N2CCC[C@H]([NH3+])C2)c1 ZINC000061666824 519782265 /nfs/dbraw/zinc/78/22/65/519782265.db2.gz KBACOCQTMFFKCG-ZDUSSCGKSA-N 1 0 262.353 2.037 10 0 CEAERO CC(C)Oc1cccc(C(=O)N2CCC[C@H](C[NH3+])C2)c1 ZINC000061666828 519782368 /nfs/dbraw/zinc/78/23/68/519782368.db2.gz GIZODZDHIMFFHG-CYBMUJFWSA-N 1 0 276.380 2.285 10 0 CEAERO CC(C)[C@@H](CN(C)C)[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000049197432 519793923 /nfs/dbraw/zinc/79/39/23/519793923.db2.gz IUCSXCHWJLPGPZ-QZTJIDSGSA-N 1 0 289.467 2.437 10 0 CEAERO CC(C)[C@@H]1CCC(=O)[C@H](C[N@H+](C)Cc2cnn(C)c2)C1 ZINC000054559273 519801895 /nfs/dbraw/zinc/80/18/95/519801895.db2.gz UCWKPRWMMSRMGW-CABCVRRESA-N 1 0 277.412 2.493 10 0 CEAERO CC(C)[C@@H]1CCC(=O)[C@@H](C[N@H+](C)Cc2cnn(C)c2)C1 ZINC000054559275 519801908 /nfs/dbraw/zinc/80/19/08/519801908.db2.gz UCWKPRWMMSRMGW-HUUCEWRRSA-N 1 0 277.412 2.493 10 0 CEAERO CC(C)[C@@H]1CC[C@H](N)[C@H]([N@H+](C)C2CCOCC2)C1 ZINC000054555139 519803431 /nfs/dbraw/zinc/80/34/31/519803431.db2.gz GNXJMFSBXLWCPR-VHDGCEQUSA-N 1 0 254.418 2.249 10 0 CEAERO CC(C)[C@@H]1CN(Cc2ccc(F)cc2F)CC[NH2+]1 ZINC000068692546 519804607 /nfs/dbraw/zinc/80/46/07/519804607.db2.gz LIEZAXWIYLIZLM-AWEZNQCLSA-N 1 0 254.324 2.395 10 0 CEAERO CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccc(Cl)c(N)c1 ZINC000049191825 519814328 /nfs/dbraw/zinc/81/43/28/519814328.db2.gz QHOBTISYFRNZKU-ZDUSSCGKSA-N 1 0 283.803 2.238 10 0 CEAERO CC(C)[C@H](CN(C)C)[NH2+]Cc1cnc2ccccc2n1 ZINC000049198468 519814587 /nfs/dbraw/zinc/81/45/87/519814587.db2.gz JCXMMBUKZHPHBE-INIZCTEOSA-N 1 0 272.396 2.306 10 0 CEAERO CC(C)[C@H]1CCC(=O)[C@H](C[NH+]2CCC(CO)CC2)C1 ZINC000054558810 519824575 /nfs/dbraw/zinc/82/45/75/519824575.db2.gz NEZIPMQNXIAMKX-GJZGRUSLSA-N 1 0 267.413 2.332 10 0 CEAERO CCC1CCC(CN)([N@H+](C)CCCC(=O)N(C)C)CC1 ZINC000050089585 519850480 /nfs/dbraw/zinc/85/04/80/519850480.db2.gz IEPOOCPQOOTOST-UHFFFAOYSA-N 1 0 283.460 2.084 10 0 CEAERO CCC1CCC(n2nnnc2C[NH2+]C(C)C)CC1 ZINC000054747109 519857166 /nfs/dbraw/zinc/85/71/66/519857166.db2.gz ATQCWRRJNIGYNJ-UHFFFAOYSA-N 1 0 251.378 2.312 10 0 CEAERO CCC1CCN(C(=O)[C@@H]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000055161455 519858446 /nfs/dbraw/zinc/85/84/46/519858446.db2.gz NJXOIFPLUQZLOB-ZIAGYGMSSA-N 1 0 252.402 2.400 10 0 CEAERO CCC1CC[NH+](CCC[C@@](C)(NC)C(=O)OC)CC1 ZINC000045428417 519859145 /nfs/dbraw/zinc/85/91/45/519859145.db2.gz RQSYRUCYZWHEJM-OAHLLOKOSA-N 1 0 270.417 2.040 10 0 CEAERO CCCN1CCO[C@@H](C[NH2+]C)[C@@H]1c1cccs1 ZINC000070288317 519860994 /nfs/dbraw/zinc/86/09/94/519860994.db2.gz GQJSCTZAFQIFBS-WCQYABFASA-N 1 0 254.399 2.119 10 0 CEAERO CCCC1CC[NH+](CCC[C@@](C)([NH3+])C(=O)[O-])CC1 ZINC000050905630 519900732 /nfs/dbraw/zinc/90/07/32/519900732.db2.gz LJNCWDZGWCTMAO-CQSZACIVSA-N 1 0 256.390 2.081 10 0 CEAERO CCCC1CC[NH+](CCC[C@@](C)(N)C(=O)OC)CC1 ZINC000050905759 519900913 /nfs/dbraw/zinc/90/09/13/519900913.db2.gz FXKCAANBPNTPAL-OAHLLOKOSA-N 1 0 270.417 2.169 10 0 CEAERO CCCC1CCN([C@@H]2CC3(CC[C@@H]2[NH2+]C)OCCO3)CC1 ZINC000050893617 519903347 /nfs/dbraw/zinc/90/33/47/519903347.db2.gz ZCXFPDJXQXDEKM-JKSUJKDBSA-N 1 0 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275.352 2.214 10 0 CEAERO CCCN[C@@H](CC[N@H+](CC)CCC)C(=O)OCC ZINC000062447014 519996894 /nfs/dbraw/zinc/99/68/94/519996894.db2.gz GZPHAGXCAONLQN-ZDUSSCGKSA-N 1 0 258.406 2.040 10 0 CEAERO CCCN[C@@H](CC[NH+](CCC)CCC)C(=O)OC ZINC000062442227 519998563 /nfs/dbraw/zinc/99/85/63/519998563.db2.gz GIYZLWOSUUEOED-ZDUSSCGKSA-N 1 0 258.406 2.040 10 0 CEAERO CC[NH2+]Cc1ccc(OCCCC(=O)NC)c(Cl)c1 ZINC000068816627 519999223 /nfs/dbraw/zinc/99/92/23/519999223.db2.gz FXDWICUHTSZASN-UHFFFAOYSA-N 1 0 284.787 2.355 10 0 CEAERO CCCN[C@@H](CC[N@H+]1C[C@H](C)C[C@H](C)C1)C(=O)OCC ZINC000062439366 520002145 /nfs/dbraw/zinc/00/21/45/520002145.db2.gz HFKRXPADCNKNJD-ZNMIVQPWSA-N 1 0 284.444 2.286 10 0 CEAERO CCC[NH2+][C@@H](CN(CCOC)CC(C)C)C1CC1 ZINC000069074364 520008576 /nfs/dbraw/zinc/00/85/76/520008576.db2.gz CGDRSROCZAWCGK-HNNXBMFYSA-N 1 0 256.434 2.369 10 0 CEAERO CC[NH2+]Cc1ccccc1OC[C@@H](O)C(F)(F)F ZINC000068875944 520010277 /nfs/dbraw/zinc/01/02/77/520010277.db2.gz BCCJHVNQONOBEU-LLVKDONJSA-N 1 0 263.259 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CCCCCC[C@@H](C)OCC[C@@H]([NH2+]CC)C(N)=O ZINC000062542701 520120963 /nfs/dbraw/zinc/12/09/63/520120963.db2.gz IHUNNVRYKTWELU-CHWSQXEVSA-N 1 0 258.406 2.215 10 0 CEAERO CCCCCC[C@@H](C[NH2+]C)[C@H]1CCS(=O)(=O)C1 ZINC000052949690 520123251 /nfs/dbraw/zinc/12/32/51/520123251.db2.gz DSKZAKPFQXWXBM-STQMWFEESA-N 1 0 261.431 2.227 10 0 CEAERO CC[NH2+][C@@H]1COc2cc(OCCn3ccnc3)ccc21 ZINC000062804657 520124931 /nfs/dbraw/zinc/12/49/31/520124931.db2.gz DYTYJHKJQGVIAJ-CQSZACIVSA-N 1 0 273.336 2.005 10 0 CEAERO CC(C)n1nccc1NC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000061610707 520125196 /nfs/dbraw/zinc/12/51/96/520125196.db2.gz OPDRULUXRYTQTP-CYBMUJFWSA-N 1 0 272.352 2.145 10 0 CEAERO CCN[C@@](C[N@H+](C)C(C)(C)CC)(C(=O)OCC)C1CC1 ZINC000069446749 520146673 /nfs/dbraw/zinc/14/66/73/520146673.db2.gz UTZDRXJKUYVFOX-MRXNPFEDSA-N 1 0 284.444 2.428 10 0 CEAERO CCCCC[N@H+](C)Cc1cccnc1C(N)=S ZINC000061659712 520151586 /nfs/dbraw/zinc/15/15/86/520151586.db2.gz JMKZGWCRAFUYRM-UHFFFAOYSA-N 1 0 251.399 2.338 10 0 CEAERO CCCNc1ccc(C[N@H+](C)[C@@H](C)COC)cn1 ZINC000050815215 520154371 /nfs/dbraw/zinc/15/43/71/520154371.db2.gz WHGNTFGNBRMMKZ-LBPRGKRZSA-N 1 0 251.374 2.370 10 0 CEAERO CCOC[C@H](O)COc1ccc(C)cc1[C@@H](C)[NH2+]C ZINC000069275522 520164061 /nfs/dbraw/zinc/16/40/61/520164061.db2.gz FULICNAXKWIIHK-OLZOCXBDSA-N 1 0 267.369 2.052 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000061273653 520165342 /nfs/dbraw/zinc/16/53/42/520165342.db2.gz DEYQAFGLNJYZJA-SNVBAGLBSA-N 1 0 286.322 2.292 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N[C@@H](C)c1cccc(F)c1 ZINC000061273685 520167581 /nfs/dbraw/zinc/16/75/81/520167581.db2.gz ZEVROTHHOJBBJW-MNOVXSKESA-N 1 0 252.333 2.391 10 0 CEAERO CC[NH2+][C@H](c1c(F)cc(OC)cc1F)[C@H]1COCCO1 ZINC000055300986 520206174 /nfs/dbraw/zinc/20/61/74/520206174.db2.gz FEUTUGIKUCXIEH-OCCSQVGLSA-N 1 0 287.306 2.039 10 0 CEAERO CCN[C@](C[N@H+](C)C(C)(C)CC)(C(N)=O)c1ccccc1 ZINC000069446809 520242037 /nfs/dbraw/zinc/24/20/37/520242037.db2.gz YBRNIAZWRRAFIR-KRWDZBQOSA-N 1 0 291.439 2.097 10 0 CEAERO CC[NH2+][C@](CSc1ccc(F)cc1)(C(N)=O)C1CC1 ZINC000069186766 520253572 /nfs/dbraw/zinc/25/35/72/520253572.db2.gz CYONSBNRYMBCNE-AWEZNQCLSA-N 1 0 282.384 2.161 10 0 CEAERO CCCOCc1nc(C)cc(C[NH2+]CC(C)C)n1 ZINC000054832467 520261009 /nfs/dbraw/zinc/26/10/09/520261009.db2.gz MOIXOKRRPCMQMS-UHFFFAOYSA-N 1 0 251.374 2.457 10 0 CEAERO CCCOCc1noc([C@@H](C[NH3+])c2ccccc2)n1 ZINC000061609460 520261030 /nfs/dbraw/zinc/26/10/30/520261030.db2.gz IHFLUMQZSGATQG-LBPRGKRZSA-N 1 0 261.325 2.087 10 0 CEAERO CCNc1cc(CN2CCC[C@@H]2C[NH+](C)C)ccn1 ZINC000061653241 520271952 /nfs/dbraw/zinc/27/19/52/520271952.db2.gz VIPBMZUUNUMKIP-CQSZACIVSA-N 1 0 262.401 2.039 10 0 CEAERO CCO[C@@H](C[NH3+])CCOCCCc1ccccc1 ZINC000062741842 520309260 /nfs/dbraw/zinc/30/92/60/520309260.db2.gz KSLBRJFTKYBBFF-OAHLLOKOSA-N 1 0 251.370 2.390 10 0 CEAERO CCNc1ncccc1CN1CC[NH+](C(C)(C)C)CC1 ZINC000052729904 520378962 /nfs/dbraw/zinc/37/89/62/520378962.db2.gz UDDDZGKGJHVBFI-UHFFFAOYSA-N 1 0 276.428 2.430 10 0 CEAERO CCN(CC(F)(F)F)C(=O)[C@H]1C[C@@H]([NH3+])CC[C@@H]1C ZINC000055137066 520418591 /nfs/dbraw/zinc/41/85/91/520418591.db2.gz KGJVHVPBXCOVNB-GUBZILKMSA-N 1 0 266.307 2.161 10 0 CEAERO CCCC[N@H+](C)C[C@](NC1CC1)(C(=O)OCC)C1CC1 ZINC000069088884 520418654 /nfs/dbraw/zinc/41/86/54/520418654.db2.gz GGKNVIWLOKWPFY-MRXNPFEDSA-N 1 0 282.428 2.182 10 0 CEAERO CCCOc1cccc([C@@H]([NH2+]C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000052921187 520464864 /nfs/dbraw/zinc/46/48/64/520464864.db2.gz GXNFQLITROTKNJ-UKRRQHHQSA-N 1 0 297.420 2.171 10 0 CEAERO CCCC[N@H+](CC[C@@H](NCCC)C(N)=O)[C@@H](C)CC ZINC000062527583 520538437 /nfs/dbraw/zinc/53/84/37/520538437.db2.gz ZVSPDXPYSLITOC-UONOGXRCSA-N 1 0 271.449 2.131 10 0 CEAERO CCN(CC)C(=O)c1cccc(NC(=O)C(C)(C)[NH2+]C)c1 ZINC000061318597 520560568 /nfs/dbraw/zinc/56/05/68/520560568.db2.gz DIWLYUNLQGUAOE-UHFFFAOYSA-N 1 0 291.395 2.105 10 0 CEAERO CC[NH+](CC)CCCNC(=O)c1cc(C)ccc1NC ZINC000053000472 520617715 /nfs/dbraw/zinc/61/77/15/520617715.db2.gz ZXFVMJBBVDUSRG-UHFFFAOYSA-N 1 0 277.412 2.498 10 0 CEAERO CC[NH+](CC)CCN(C)c1ccccc1C(=O)OC ZINC000050050818 520641197 /nfs/dbraw/zinc/64/11/97/520641197.db2.gz TZCQFLGUTBQOKY-UHFFFAOYSA-N 1 0 264.369 2.251 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)Nc1cccc(COCC)c1 ZINC000157756354 520723761 /nfs/dbraw/zinc/72/37/61/520723761.db2.gz XMDNMGPNGGDMQP-CYBMUJFWSA-N 1 0 250.342 2.289 10 0 CEAERO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC[C@H](C)O1)c1ccco1 ZINC000150980172 520863918 /nfs/dbraw/zinc/86/39/18/520863918.db2.gz PUOTVOSICKBEGZ-GUTXKFCHSA-N 1 0 294.395 2.346 10 0 CEAERO CCC[C@@](C)(CO)CN1CC[NH+]([C@H](C)CC)CC1 ZINC000055072955 520911354 /nfs/dbraw/zinc/91/13/54/520911354.db2.gz CYGQIWSNXQYPCQ-HUUCEWRRSA-N 1 0 256.434 2.201 10 0 CEAERO CCC[C@@](C)([NH3+])C(=O)Nc1ccccc1[C@H](C)O ZINC000049547232 520921374 /nfs/dbraw/zinc/92/13/74/520921374.db2.gz APGVVSRJPMHABI-IINYFYTJSA-N 1 0 250.342 2.196 10 0 CEAERO CC1CCC(CO)([NH2+]C[C@H](O)c2ccccc2F)CC1 ZINC000053118370 520925090 /nfs/dbraw/zinc/92/50/90/520925090.db2.gz JNRIAEVCSOXMME-NRAUKZCXSA-N 1 0 281.371 2.390 10 0 CEAERO CCC[C@@]1(C(=O)N(C)Cc2ccoc2)CCC[NH2+]C1 ZINC000062859745 520940795 /nfs/dbraw/zinc/94/07/95/520940795.db2.gz VRYCQYJCPBUIRH-OAHLLOKOSA-N 1 0 264.369 2.408 10 0 CEAERO CC[N@H+](CC1CC1)[C@H](CN)c1ccc(OC)c(OC)c1 ZINC000069237573 520968123 /nfs/dbraw/zinc/96/81/23/520968123.db2.gz IQGNCYFWBKZFHI-CQSZACIVSA-N 1 0 278.396 2.436 10 0 CEAERO CCC[C@H](Cc1nc(-c2cccc(C)n2)no1)[NH2+]C ZINC000069051573 521105769 /nfs/dbraw/zinc/10/57/69/521105769.db2.gz GNSWHKQBPRGKDR-LLVKDONJSA-N 1 0 260.341 2.371 10 0 CEAERO CCCC[C@@](CC)(C[NH3+])N(C)Cc1cnn(C)c1 ZINC000069380158 521121374 /nfs/dbraw/zinc/12/13/74/521121374.db2.gz YOSXJWONILGZPW-AWEZNQCLSA-N 1 0 252.406 2.150 10 0 CEAERO CCCC[C@@](CC)(C[NH3+])N1CCN(CC(F)(F)F)CC1 ZINC000069379572 521121641 /nfs/dbraw/zinc/12/16/41/521121641.db2.gz NAJGTRIPGXBPJW-ZDUSSCGKSA-N 1 0 295.393 2.464 10 0 CEAERO CCC(=O)N1CC[N@H+](CCc2ccccc2)[C@H](C)C1 ZINC000062691012 521121677 /nfs/dbraw/zinc/12/16/77/521121677.db2.gz ASLDHEFOTUMJCG-CQSZACIVSA-N 1 0 260.381 2.172 10 0 CEAERO CCN(CCO)c1nc2sccn2c1C[NH2+]C(C)(C)C ZINC000062736442 521126441 /nfs/dbraw/zinc/12/64/41/521126441.db2.gz MIBYXPKRLIPUQP-UHFFFAOYSA-N 1 0 296.440 2.103 10 0 CEAERO CCN(CCOC)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000049018300 521130385 /nfs/dbraw/zinc/13/03/85/521130385.db2.gz UZBDPYRZBFCSLJ-LLVKDONJSA-N 1 0 265.357 2.207 10 0 CEAERO CCN(CCOC)[C@@H](C[NH3+])c1cc2ccccc2o1 ZINC000068811574 521138932 /nfs/dbraw/zinc/13/89/32/521138932.db2.gz MVTJLCVDRAMRTG-ZDUSSCGKSA-N 1 0 262.353 2.401 10 0 CEAERO CCN(CCOC)c1nc2c(s1)[C@@H]([NH2+]C)CCC2 ZINC000054908252 521141162 /nfs/dbraw/zinc/14/11/62/521141162.db2.gz DEHWZEKOLHEBBP-JTQLQIEISA-N 1 0 269.414 2.213 10 0 CEAERO CCOC(=O)[C@@](C)(C[C@@H](C)[N@@H+]1CCCC(C)(C)C1)NC ZINC000068647859 521146438 /nfs/dbraw/zinc/14/64/38/521146438.db2.gz FSIGZCRQSNOGFN-CZUORRHYSA-N 1 0 284.444 2.428 10 0 CEAERO CCOC(=O)[C@@](C)([NH3+])CCCOc1cccc(COC)c1 ZINC000069508577 521154827 /nfs/dbraw/zinc/15/48/27/521154827.db2.gz VTGIMVZTGWTXKX-INIZCTEOSA-N 1 0 295.379 2.273 10 0 CEAERO CCN(CC[C@@](C)([NH2+]C(C)C)C(N)=O)c1ccccc1F ZINC000050012733 521157269 /nfs/dbraw/zinc/15/72/69/521157269.db2.gz IRGQTINVERLLDH-MRXNPFEDSA-N 1 0 295.402 2.284 10 0 CEAERO CCOC(=O)[C@@](C)([NH3+])C[C@@H](C)n1ncc2ccccc21 ZINC000068649717 521157572 /nfs/dbraw/zinc/15/75/72/521157572.db2.gz OWLGXVSWIZRDAP-ABAIWWIYSA-N 1 0 275.352 2.268 10 0 CEAERO CCC[C@H]([NH2+][C@@H](C)C(=O)N1CCOCC1)c1cccs1 ZINC000049544508 521168036 /nfs/dbraw/zinc/16/80/36/521168036.db2.gz ALQLMZOHNLJHAZ-STQMWFEESA-N 1 0 296.436 2.426 10 0 CEAERO CCC[C@H]([NH2+][C@H](C)C(=O)NC(=O)NCC)c1cccs1 ZINC000049544554 521172685 /nfs/dbraw/zinc/17/26/85/521172685.db2.gz IUMSGOMWVKGXSG-MNOVXSKESA-N 1 0 297.424 2.413 10 0 CEAERO CCOC(=O)[C@H](C(C)C)C1(O)CC[NH+](C(C)C)CC1 ZINC000052254673 521183456 /nfs/dbraw/zinc/18/34/56/521183456.db2.gz SOJAHDZWULJRIZ-ZDUSSCGKSA-N 1 0 271.401 2.057 10 0 CEAERO CCC[C@H]1C[NH2+][C@H](C(C)C)CN1CCn1ccnc1C ZINC000068695579 521224222 /nfs/dbraw/zinc/22/42/22/521224222.db2.gz DWXRWQQJECNDJJ-HOTGVXAUSA-N 1 0 278.444 2.290 10 0 CEAERO CCOC(=O)[C@H](C)n1c(N)[nH+]c2cccc(Cl)c21 ZINC000049374759 521230430 /nfs/dbraw/zinc/23/04/30/521230430.db2.gz JEQVKIICTQKYOG-ZETCQYMHSA-N 1 0 267.716 2.396 10 0 CEAERO CCN(C[C@@]1(C[NH2+]C)CCOC1)c1ccccc1F ZINC000051252982 521234750 /nfs/dbraw/zinc/23/47/50/521234750.db2.gz NCZOUSXGYAPCHK-HNNXBMFYSA-N 1 0 266.360 2.278 10 0 CEAERO CCOc1ccc([C@@](O)([C@@H](C)[NH3+])C(F)(F)F)cc1 ZINC000062784297 521250080 /nfs/dbraw/zinc/25/00/80/521250080.db2.gz YRDKJLFEPJWQEK-KCJUWKMLSA-N 1 0 263.259 2.182 10 0 CEAERO CCCC[C@](CC)(CCS(C)(=O)=O)C[NH2+]CCOC ZINC000054658302 521253004 /nfs/dbraw/zinc/25/30/04/521253004.db2.gz XXPSUTQDXAMXHM-CQSZACIVSA-N 1 0 293.473 2.244 10 0 CEAERO CCN(C[C@H]1CCCO1)c1ncc(C[NH2+]C2CC2)s1 ZINC000054906939 521271603 /nfs/dbraw/zinc/27/16/03/521271603.db2.gz BAQKSTWDSNUNII-GFCCVEGCSA-N 1 0 281.425 2.400 10 0 CEAERO CCC[C@]1(C(=O)N(C)c2ccccn2)CCC[NH2+]C1 ZINC000062852990 521297566 /nfs/dbraw/zinc/29/75/66/521297566.db2.gz XOTBUKRRLSHUTH-HNNXBMFYSA-N 1 0 261.369 2.214 10 0 CEAERO CCOc1cccc(-c2ncc(C[C@@H](C)[NH3+])cn2)c1 ZINC000054857874 521313384 /nfs/dbraw/zinc/31/33/84/521313384.db2.gz DYGONKKEAHAMNY-LLVKDONJSA-N 1 0 257.337 2.432 10 0 CEAERO CCN(Cc1ccc(F)c(F)c1)C(=O)[C@]1(C)CC[NH2+]C1 ZINC000062895797 521316417 /nfs/dbraw/zinc/31/64/17/521316417.db2.gz NEHLUPYECJPAMR-OAHLLOKOSA-N 1 0 282.334 2.313 10 0 CEAERO CCOC(=O)[C@](C)(C[C@@H](C)[N@H+](CC1CC1)C1CC1)NC ZINC000068648376 521320888 /nfs/dbraw/zinc/32/08/88/521320888.db2.gz AGQCANSDJGHWAQ-WBMJQRKESA-N 1 0 282.428 2.181 10 0 CEAERO CCOC(=O)[C@](C[N@H+](CC)CC1CC1)(NC1CC1)C1CC1 ZINC000069239497 521339692 /nfs/dbraw/zinc/33/96/92/521339692.db2.gz SGWXZCDKLZUMEN-QGZVFWFLSA-N 1 0 294.439 2.182 10 0 CEAERO CCCc1cc(N2CCC(C[NH2+]CC)CC2)ncn1 ZINC000053664503 521369363 /nfs/dbraw/zinc/36/93/63/521369363.db2.gz MSPFAODGZKETKV-UHFFFAOYSA-N 1 0 262.401 2.255 10 0 CEAERO CCCN(C(=O)C1(c2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000061617626 521414024 /nfs/dbraw/zinc/41/40/24/521414024.db2.gz UKQRSMMPLGWGEN-HNNXBMFYSA-N 1 0 272.392 2.319 10 0 CEAERO CCOc1cccc([C@H](CCCS(C)(=O)=O)[NH2+]C)c1 ZINC000063016745 521423299 /nfs/dbraw/zinc/42/32/99/521423299.db2.gz OPCSYLXCUGCKGM-AWEZNQCLSA-N 1 0 285.409 2.171 10 0 CEAERO CCCN(C(=O)[C@H](OC)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000050437478 521438693 /nfs/dbraw/zinc/43/86/93/521438693.db2.gz AHRTYKPRBJYXIC-HZPDHXFCSA-N 1 0 290.407 2.365 10 0 CEAERO CCN(c1c(C[NH2+]CC(C)C)c(C)nn1C)[C@H](C)COC ZINC000062737883 521476479 /nfs/dbraw/zinc/47/64/79/521476479.db2.gz WZBSHJZQDMPCJW-CYBMUJFWSA-N 1 0 296.459 2.335 10 0 CEAERO CCCc1nc(C)c([C@@H](C)C[NH2+]CCOC)c(C)n1 ZINC000054855190 521502493 /nfs/dbraw/zinc/50/24/93/521502493.db2.gz HWNJEZZEYFTRMB-NSHDSACASA-N 1 0 265.401 2.385 10 0 CEAERO CCC(CC)CC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000150962911 521503921 /nfs/dbraw/zinc/50/39/21/521503921.db2.gz NFJXZBOEKRPERG-AWEZNQCLSA-N 1 0 298.471 2.364 10 0 CEAERO CCN(c1nc2sccn2c1C[NH2+]CCOC)C(C)C ZINC000062735162 521505164 /nfs/dbraw/zinc/50/51/64/521505164.db2.gz MVNAFEXNHQNHJS-UHFFFAOYSA-N 1 0 296.440 2.367 10 0 CEAERO CCCN(C1(C[NH3+])CCCCCC1)S(=O)(=O)CCC ZINC000050093094 521522728 /nfs/dbraw/zinc/52/27/28/521522728.db2.gz ONAPOSAHBOXFOZ-UHFFFAOYSA-N 1 0 290.473 2.490 10 0 CEAERO CCC(CC)N(CCOC)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000055088589 521556933 /nfs/dbraw/zinc/55/69/33/521556933.db2.gz DSNIWPGLPXKICI-QWHCGFSZSA-N 1 0 270.417 2.168 10 0 CEAERO CCOC(=O)c1csc(N[C@H]2CCC[N@H+](CC)C2)n1 ZINC000155859167 521596019 /nfs/dbraw/zinc/59/60/19/521596019.db2.gz ONMKKJUTUSRFIV-JTQLQIEISA-N 1 0 283.397 2.216 10 0 CEAERO CCCn1c(=S)[nH]nc1N1CC[NH+](CC(C)C)CC1 ZINC000055080494 521619603 /nfs/dbraw/zinc/61/96/03/521619603.db2.gz SDKLSSDBUINLJA-UHFFFAOYSA-N 1 0 283.445 2.129 10 0 CEAERO CCOc1ncccc1NC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050944386 521622863 /nfs/dbraw/zinc/62/28/63/521622863.db2.gz QSWPTSYGVJGNMU-LBPRGKRZSA-N 1 0 277.368 2.341 10 0 CEAERO CCCn1c(S[C@@H](c2ccccc2)[C@H](C)[NH3+])n[nH]c1=O ZINC000061594837 521635462 /nfs/dbraw/zinc/63/54/62/521635462.db2.gz XRRMVIVAQOOUHV-CMPLNLGQSA-N 1 0 292.408 2.162 10 0 CEAERO CCC[NH+](CCC)C[C@@](NCC)(C(=O)OC)C1CC1 ZINC000069095652 521647676 /nfs/dbraw/zinc/64/76/76/521647676.db2.gz UQLFQYBHDUKWHZ-HNNXBMFYSA-N 1 0 270.417 2.040 10 0 CEAERO CCCN(CCC[NH3+])C(=O)c1cc(F)ccc1C ZINC000062664129 521653497 /nfs/dbraw/zinc/65/34/97/521653497.db2.gz ATQPICKNHYQGND-UHFFFAOYSA-N 1 0 252.333 2.335 10 0 CEAERO CCOC1CCN(C(=O)[C@@H]2CCC[C@H](CC[NH3+])C2)CC1 ZINC000055161876 521654987 /nfs/dbraw/zinc/65/49/87/521654987.db2.gz ROFOVOGQBCMXJN-ZIAGYGMSSA-N 1 0 282.428 2.169 10 0 CEAERO CCCn1cccc1C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070173194 521658917 /nfs/dbraw/zinc/65/89/17/521658917.db2.gz SYKOIJURTGTRMQ-OLZOCXBDSA-N 1 0 263.385 2.098 10 0 CEAERO CCC1(C(=O)N2CCc3ccccc32)CC[NH2+]CC1 ZINC000062847777 521664881 /nfs/dbraw/zinc/66/48/81/521664881.db2.gz FZMAXYAKMCYPGW-UHFFFAOYSA-N 1 0 258.365 2.356 10 0 CEAERO CCCN1C(=O)C[C@@H]([NH2+][C@@H](C)c2cccc(F)c2)C1=O ZINC000049529702 521699650 /nfs/dbraw/zinc/69/96/50/521699650.db2.gz WORPTAONAUGGET-GXFFZTMASA-N 1 0 278.327 2.014 10 0 CEAERO CC[N@@H+]1CCN(c2nc(C3CC3)c(CO)s2)C[C@@H]1C ZINC000069183445 521700775 /nfs/dbraw/zinc/70/07/75/521700775.db2.gz SSCMGSUYELBITL-JTQLQIEISA-N 1 0 281.425 2.043 10 0 CEAERO CCOCCCC[NH2+]CCSc1nnc(C)s1 ZINC000053622908 521703671 /nfs/dbraw/zinc/70/36/71/521703671.db2.gz LKDBZPBXFKPLAR-UHFFFAOYSA-N 1 0 275.443 2.345 10 0 CEAERO CCNC(=O)CC[N@@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000156963957 521735541 /nfs/dbraw/zinc/73/55/41/521735541.db2.gz FQVUAPWXFSUCFW-GFCCVEGCSA-N 1 0 281.425 2.157 10 0 CEAERO COCC[C@@H]([NH3+])C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000052790714 521824711 /nfs/dbraw/zinc/82/47/11/521824711.db2.gz HVMDICVZCOKLJQ-QDCKZUPOSA-N 1 0 294.439 2.071 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1C(=O)c1cccc2c1NCCC2 ZINC000061652110 521865950 /nfs/dbraw/zinc/86/59/50/521865950.db2.gz WMXMRLFTQHKXQY-CQSZACIVSA-N 1 0 287.407 2.211 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1c1nc(C(C)(C)C)c(CO)s1 ZINC000061655624 521876013 /nfs/dbraw/zinc/87/60/13/521876013.db2.gz OURNWFHDLHPBJG-LLVKDONJSA-N 1 0 297.468 2.463 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N1CCC[C@H]1c1ccc(OC)cc1 ZINC000061316888 521933451 /nfs/dbraw/zinc/93/34/51/521933451.db2.gz IQRAJMXOIKONQR-AWEZNQCLSA-N 1 0 276.380 2.357 10 0 CEAERO C[NH2+]CCCc1nnc(-c2ccc3ncccc3c2)o1 ZINC000061439370 522002216 /nfs/dbraw/zinc/00/22/16/522002216.db2.gz QTIPRLIZXNDZIY-UHFFFAOYSA-N 1 0 268.320 2.437 10 0 CEAERO COC(=O)c1ccc(C[N@@H+]2CCC[C@H]2CCCO)cc1 ZINC000052760842 522010724 /nfs/dbraw/zinc/01/07/24/522010724.db2.gz UOUIJPMQMSAWSA-HNNXBMFYSA-N 1 0 277.364 2.210 10 0 CEAERO COCCc1ccc(Oc2ccnc(C(N)=[NH2+])c2)cc1 ZINC000061814600 522015819 /nfs/dbraw/zinc/01/58/19/522015819.db2.gz JGJVFPDASSMBNL-UHFFFAOYSA-N 1 0 271.320 2.347 10 0 CEAERO C[NH2+]CC[C@H]1CCCCN1c1ccc(C(N)=O)cc1Cl ZINC000070194134 522019061 /nfs/dbraw/zinc/01/90/61/522019061.db2.gz OGNJHKUFQPNXOM-GFCCVEGCSA-N 1 0 295.814 2.407 10 0 CEAERO C[NH2+]C[C@@H]1CCCCN1C(=O)c1cc(C)oc1C ZINC000063167756 522040510 /nfs/dbraw/zinc/04/05/10/522040510.db2.gz RKUKPKJXDDKNMF-LBPRGKRZSA-N 1 0 250.342 2.111 10 0 CEAERO CC[C@H](C)c1ccccc1OC[C@]([NH3+])(C(N)=O)C1CC1 ZINC000069197819 522049172 /nfs/dbraw/zinc/04/91/72/522049172.db2.gz JIMQTXIKZUGKOL-MEDUHNTESA-N 1 0 276.380 2.172 10 0 CEAERO C[NH+](C)[C@@H]1CCN(Cc2ccc(Cl)c(N)c2)C1 ZINC000062963829 522052210 /nfs/dbraw/zinc/05/22/10/522052210.db2.gz HATNZHHZJOPXKJ-LLVKDONJSA-N 1 0 253.777 2.058 10 0 CEAERO C[NH2+]C[C@@H]1CC[C@H](COc2cccc(Cl)c2)O1 ZINC000052674529 522061052 /nfs/dbraw/zinc/06/10/52/522061052.db2.gz QBCZPTBSBQXZNJ-QWHCGFSZSA-N 1 0 255.745 2.486 10 0 CEAERO C[NH2+]C[C@H](Cc1cc(C)cc(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000052950050 522073772 /nfs/dbraw/zinc/07/37/72/522073772.db2.gz JVRDUPCHOOQAOM-CVEARBPZSA-N 1 0 295.448 2.116 10 0 CEAERO CC[C@@H](C)N1C(=O)C[C@H]([NH2+][C@@H](C)CCC(C)C)C1=O ZINC000069234448 522105244 /nfs/dbraw/zinc/10/52/44/522105244.db2.gz HMVWUADYPXAPET-XQQFMLRXSA-N 1 0 268.401 2.327 10 0 CEAERO C[NH2+]Cc1ccccc1N1C(=O)CC(C)(C)CC1=O ZINC000061824959 522136589 /nfs/dbraw/zinc/13/65/89/522136589.db2.gz MACMKRUZNPRQHH-UHFFFAOYSA-N 1 0 260.337 2.086 10 0 CEAERO C[NH2+]Cc1ccccc1Cn1cc(Br)cn1 ZINC000052577593 522137138 /nfs/dbraw/zinc/13/71/38/522137138.db2.gz QZVDJJCXWJDTNT-UHFFFAOYSA-N 1 0 280.169 2.413 10 0 CEAERO C[NH2+]Cc1cn(CCO[C@@H]2C[C@@H](C)CC(C)(C)C2)nn1 ZINC000052629349 522146903 /nfs/dbraw/zinc/14/69/03/522146903.db2.gz OFBBBAXIILCGHH-TZMCWYRMSA-N 1 0 280.416 2.229 10 0 CEAERO C[NH2+]Cc1nnc(-c2ccc(Br)c(F)c2)o1 ZINC000050615468 522155700 /nfs/dbraw/zinc/15/57/00/522155700.db2.gz OGNFJVCWOPDMQZ-UHFFFAOYSA-N 1 0 286.104 2.358 10 0 CEAERO C[NH2+]Cc1sc(N(C)CCOC)nc1C(C)(C)C ZINC000055001754 522166388 /nfs/dbraw/zinc/16/63/88/522166388.db2.gz KBLMGNMAMQPANY-UHFFFAOYSA-N 1 0 271.430 2.243 10 0 CEAERO COc1cc(C)ccc1OCc1cccnc1C(N)=[NH2+] ZINC000061658543 522282804 /nfs/dbraw/zinc/28/28/04/522282804.db2.gz NBTPMPSBHPFEBO-UHFFFAOYSA-N 1 0 271.320 2.262 10 0 CEAERO CN(C)c1cc[nH+]cc1NC(=O)c1cccc(Cl)n1 ZINC000051073373 522311526 /nfs/dbraw/zinc/31/15/26/522311526.db2.gz VKXVRVIQLAWUTC-UHFFFAOYSA-N 1 0 276.727 2.448 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(F)cc1OCc1nnc(C)n1C ZINC000062746547 522331848 /nfs/dbraw/zinc/33/18/48/522331848.db2.gz LVPKWBPADYDSHL-VIFPVBQESA-N 1 0 278.331 2.122 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccccn1)N1CCC[C@@H]1CCCO ZINC000052757617 522344189 /nfs/dbraw/zinc/34/41/89/522344189.db2.gz HZNHVTZZALSFLV-IJEWVQPXSA-N 1 0 277.412 2.097 10 0 CEAERO CC[C@H]([NH3+])[C@](O)(c1cc(OC)ccc1OC)C(F)(F)F ZINC000062784741 522345684 /nfs/dbraw/zinc/34/56/84/522345684.db2.gz IPRBNDSWCBOPEY-NWDGAFQWSA-N 1 0 293.285 2.191 10 0 CEAERO C[NH2+][C@@H](Cn1ccc(C)cc1=O)c1cccc(OC)c1 ZINC000061909142 522366040 /nfs/dbraw/zinc/36/60/40/522366040.db2.gz FHZNBQBKRJBSEY-HNNXBMFYSA-N 1 0 272.348 2.126 10 0 CEAERO C[NH2+][C@@H]1CC(C)(C)Cc2nc(N3CCN(C)CC3)sc21 ZINC000054900286 522374484 /nfs/dbraw/zinc/37/44/84/522374484.db2.gz YNZHXINDUAFXPE-LLVKDONJSA-N 1 0 294.468 2.128 10 0 CEAERO C[NH2+][C@@H](c1nccn1C)C1(c2ccccc2)CCOCC1 ZINC000069473944 522375606 /nfs/dbraw/zinc/37/56/06/522375606.db2.gz VRINVTWUSLVWDB-HNNXBMFYSA-N 1 0 285.391 2.429 10 0 CEAERO C[NH2+][C@@H]1CCC2(C[C@@H]1Oc1cccc(F)c1F)OCCO2 ZINC000062613569 522376866 /nfs/dbraw/zinc/37/68/66/522376866.db2.gz PUXIKSQVPZXCMQ-YPMHNXCESA-N 1 0 299.317 2.227 10 0 CEAERO CCc1nc(N2CCC[C@H]2C[NH+](C)C)sc1C=O ZINC000061655551 522385344 /nfs/dbraw/zinc/38/53/44/522385344.db2.gz IENKOUHYVXEOMQ-JTQLQIEISA-N 1 0 267.398 2.048 10 0 CEAERO C[NH2+][C@@H]1CCCN(Cc2cc(F)ccc2OC)C1 ZINC000053203291 522386563 /nfs/dbraw/zinc/38/65/63/522386563.db2.gz GCEAFDQPDBEGNC-CYBMUJFWSA-N 1 0 252.333 2.018 10 0 CEAERO CN[C@@](C)(CCC[N@@H+]1CCCC(C)(C)C1)C(=O)OC ZINC000069516769 522408377 /nfs/dbraw/zinc/40/83/77/522408377.db2.gz XUTFQXZTUUWYQQ-HNNXBMFYSA-N 1 0 270.417 2.040 10 0 CEAERO CN(C1CCCCCC1)S(=O)(=O)C[C@H]1CCCC[NH2+]1 ZINC000049631167 522414427 /nfs/dbraw/zinc/41/44/27/522414427.db2.gz XVPLGBAKLVSEPD-CYBMUJFWSA-N 1 0 288.457 2.113 10 0 CEAERO C[NH2+][C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000062657802 522438439 /nfs/dbraw/zinc/43/84/39/522438439.db2.gz YBGZMPSLRIIVFS-ZCFIWIBFSA-N 1 0 264.222 2.391 10 0 CEAERO C[NH2+][C@H](C)C[C@@H](C)N1CCN(c2ccccc2OC)CC1 ZINC000068654165 522440905 /nfs/dbraw/zinc/44/09/05/522440905.db2.gz MBASLHSHLOVGPM-HUUCEWRRSA-N 1 0 291.439 2.204 10 0 CEAERO COc1cc(C[NH2+]C2CC2)c(-c2ccnn2C)cc1OC ZINC000069467210 522441213 /nfs/dbraw/zinc/44/12/13/522441213.db2.gz BMYCISIHNJRRIX-UHFFFAOYSA-N 1 0 287.363 2.356 10 0 CEAERO C[NH2+][C@H](C)Cc1nc(-c2nccc3ccccc32)no1 ZINC000069316568 522442803 /nfs/dbraw/zinc/44/28/03/522442803.db2.gz RMPHLHIDAWCZAZ-SNVBAGLBSA-N 1 0 268.320 2.435 10 0 CEAERO C[NH2+][C@H](C)c1ccc(Sc2n[nH]c(=O)n2C)c(Cl)c1 ZINC000061700478 522452070 /nfs/dbraw/zinc/45/20/70/522452070.db2.gz RZLKTTPBKLBBPR-SSDOTTSWSA-N 1 0 298.799 2.193 10 0 CEAERO C[NH2+][C@H](Cc1cccnc1)c1ccc2c(c1)OCCO2 ZINC000055228953 522473300 /nfs/dbraw/zinc/47/33/00/522473300.db2.gz XIOBAYJRQMGEOV-CQSZACIVSA-N 1 0 270.332 2.356 10 0 CEAERO C[NH2+][C@H](c1cc(F)c(F)c(F)c1)c1cccnc1N ZINC000070320870 522476896 /nfs/dbraw/zinc/47/68/96/522476896.db2.gz QSFVILPKVOYBKI-GFCCVEGCSA-N 1 0 267.254 2.390 10 0 CEAERO C[NH2+][C@H]1CCOC[C@@H]1n1cc(-c2ccccc2)cn1 ZINC000054961137 522505134 /nfs/dbraw/zinc/50/51/34/522505134.db2.gz MQLXJRYQYJPOHN-GJZGRUSLSA-N 1 0 257.337 2.100 10 0 CEAERO CN[C@](C)(C[C@@H](C)[N@@H+]1CCC[C@H](C(C)(C)C)CC1)C(N)=O ZINC000068648207 522519693 /nfs/dbraw/zinc/51/96/93/522519693.db2.gz PQVGRCANEKQHBI-JKIFEVAISA-N 1 0 297.487 2.377 10 0 CEAERO CC[C@H]([NH2+]C)c1ccc(OCCC(=O)OC)cc1 ZINC000069317122 522556597 /nfs/dbraw/zinc/55/65/97/522556597.db2.gz DTXOOQAQRVWLMS-ZDUSSCGKSA-N 1 0 251.326 2.299 10 0 CEAERO COC[C@H](C)CNC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000045654139 522571041 /nfs/dbraw/zinc/57/10/41/522571041.db2.gz IGVKYGUWIYVLEF-MNOVXSKESA-N 1 0 265.357 2.110 10 0 CEAERO COC[C@H](C)C[NH2+][C@@H](c1cccs1)c1nccn1C ZINC000045657511 522581357 /nfs/dbraw/zinc/58/13/57/522581357.db2.gz MPSDPSOIZFPGLR-YPMHNXCESA-N 1 0 279.409 2.443 10 0 CEAERO COc1cc(F)ccc1NC(=O)[C@@H]1CCC[C@H](C)[NH2+]1 ZINC000049570468 522608713 /nfs/dbraw/zinc/60/87/13/522608713.db2.gz JDEKTDPQHOJAQP-CABZTGNLSA-N 1 0 266.316 2.303 10 0 CEAERO CNc1ccc(Cl)cc1C(=O)N[C@H]1C[NH+]2CCC1CC2 ZINC000050729117 522629175 /nfs/dbraw/zinc/62/91/75/522629175.db2.gz MDSOUDAVSXBJGB-AWEZNQCLSA-N 1 0 293.798 2.206 10 0 CEAERO COC[C@H](C)OCc1cc([C@H](C)[NH3+])ccc1OC ZINC000070207816 522637045 /nfs/dbraw/zinc/63/70/45/522637045.db2.gz PVXXFPDESJNYBG-QWRGUYRKSA-N 1 0 253.342 2.266 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1nnc(C)o1)C(F)(F)F ZINC000051038061 522649647 /nfs/dbraw/zinc/64/96/47/522649647.db2.gz OLAMQNFQPMFJOM-PHDIDXHHSA-N 1 0 255.265 2.138 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1cnn(C)c1)N1Cc2ccccc2C1 ZINC000050910106 522651420 /nfs/dbraw/zinc/65/14/20/522651420.db2.gz POFCEXVZEBCJMZ-HZPDHXFCSA-N 1 0 270.380 2.214 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1nnc(C)o1)C(F)(F)F ZINC000051038059 522653318 /nfs/dbraw/zinc/65/33/18/522653318.db2.gz OLAMQNFQPMFJOM-RITPCOANSA-N 1 0 255.265 2.138 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cnn(C)c1)n1ncc2ccccc21 ZINC000050524074 522655394 /nfs/dbraw/zinc/65/53/94/522655394.db2.gz JOSWGXACPDVWSP-HIFRSBDPSA-N 1 0 269.352 2.097 10 0 CEAERO CC[C@@H]([NH3+])[C@](O)(c1cccc(F)c1)C(F)(F)F ZINC000062784514 522655541 /nfs/dbraw/zinc/65/55/41/522655541.db2.gz XVDNDHJYBYVQNT-NXEZZACHSA-N 1 0 251.223 2.313 10 0 CEAERO CC[C@@H](NC(=O)C(C)(C)[NH2+]C)c1ccc(OC)cc1 ZINC000061316164 522665926 /nfs/dbraw/zinc/66/59/26/522665926.db2.gz REBLVAKMMKZRMT-CYBMUJFWSA-N 1 0 264.369 2.261 10 0 CEAERO COC1CC[NH+]([C@@H]2C[C@H](C(C)C)CC[C@@H]2N)CC1 ZINC000054554965 522706898 /nfs/dbraw/zinc/70/68/98/522706898.db2.gz BCKFEVQGFOLKTD-VHDGCEQUSA-N 1 0 254.418 2.249 10 0 CEAERO CCc1nnc(NC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)s1 ZINC000150690219 522764663 /nfs/dbraw/zinc/76/46/63/522764663.db2.gz HSOUJCYZKGXWLN-ZJUUUORDSA-N 1 0 282.413 2.065 10 0 CEAERO C[N@H+](CCCOc1ccccc1)CCC(N)=S ZINC000061815845 522785252 /nfs/dbraw/zinc/78/52/52/522785252.db2.gz IYCJWGHXJIUTDJ-UHFFFAOYSA-N 1 0 252.383 2.064 10 0 CEAERO COc1cc(OC)cc(OCc2ccnc(C[NH3+])c2)c1 ZINC000068751743 522871604 /nfs/dbraw/zinc/87/16/04/522871604.db2.gz XAEKVVJHFVHMKB-UHFFFAOYSA-N 1 0 274.320 2.137 10 0 CEAERO COc1cc(OC)cc(O[C@H](C[NH3+])c2ccccn2)c1 ZINC000068793585 522875645 /nfs/dbraw/zinc/87/56/45/522875645.db2.gz QDGQXDDJCQIIOH-OAHLLOKOSA-N 1 0 274.320 2.178 10 0 CEAERO COCc1cc(NN)[nH+]c([C@@H]2CCC[C@H](C)C2)n1 ZINC000051700623 522934680 /nfs/dbraw/zinc/93/46/80/522934680.db2.gz CVMOVHMHWBXQCB-VHSXEESVSA-N 1 0 250.346 2.202 10 0 CEAERO CC[C@@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1=O)C1CCCCC1 ZINC000052336442 522944966 /nfs/dbraw/zinc/94/49/66/522944966.db2.gz MGUQDKBUWAZNHZ-KGLIPLIRSA-N 1 0 278.396 2.225 10 0 CEAERO CC[C@@H]([NH2+][C@H]1CCCS(=O)(=O)C1)c1ccc(F)cc1 ZINC000069142861 522948754 /nfs/dbraw/zinc/94/87/54/522948754.db2.gz DGLJJPDNOZUNOM-UONOGXRCSA-N 1 0 285.384 2.444 10 0 CEAERO CC[C@@H](Oc1ccc(-c2ccc(C[NH3+])cc2)cc1)C(N)=O ZINC000061675479 523038179 /nfs/dbraw/zinc/03/81/79/523038179.db2.gz VZDRFSQLQCWMQK-MRXNPFEDSA-N 1 0 284.359 2.455 10 0 CEAERO COCc1cccc(NC(=O)[C@@H]2CCC[C@@H](C)[NH2+]2)c1 ZINC000049511987 523073885 /nfs/dbraw/zinc/07/38/85/523073885.db2.gz YRZMFUIYVXXCTR-RISCZKNCSA-N 1 0 262.353 2.302 10 0 CEAERO CC[C@@H]1CCC(=O)[C@@H](C[N@@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000061653362 523140640 /nfs/dbraw/zinc/14/06/40/523140640.db2.gz ZUAXXOYBDBYFFE-RBSFLKMASA-N 1 0 266.429 2.408 10 0 CEAERO COCCCN(C)c1cc(Cl)ccc1C(N)=[NH2+] ZINC000062789018 523232877 /nfs/dbraw/zinc/23/28/77/523232877.db2.gz GYLLYMAZIVEYKG-UHFFFAOYSA-N 1 0 255.749 2.097 10 0 CEAERO COc1ccc(-c2nccn2C)cc1C[NH2+]C1CC1 ZINC000069473257 523240193 /nfs/dbraw/zinc/24/01/93/523240193.db2.gz DMGDOEPXFZYDMS-UHFFFAOYSA-N 1 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2.112 10 0 CEAERO CC[C@@H]1CN(c2ncc(C[NH2+]C3CC3)s2)CCO1 ZINC000054903604 523472712 /nfs/dbraw/zinc/47/27/12/523472712.db2.gz ZVRBFVIOIHKDAO-LLVKDONJSA-N 1 0 267.398 2.010 10 0 CEAERO CC[C@@H]1COCCN1Cc1cc(C[NH2+]C(C)(C)C)no1 ZINC000052481503 523499677 /nfs/dbraw/zinc/49/96/77/523499677.db2.gz KMESAOLLABTRAF-CYBMUJFWSA-N 1 0 281.400 2.174 10 0 CEAERO CC[C@@H]1CO[C@@H](C)CN1Cc1cc(C[NH3+])c(C)o1 ZINC000052570959 523507404 /nfs/dbraw/zinc/50/74/04/523507404.db2.gz WEAPWMZFXXWEQD-GXFFZTMASA-N 1 0 252.358 2.046 10 0 CEAERO CC[C@]1(C(=O)N[C@H](C)c2ccc(F)cc2)CC[NH2+]C1 ZINC000062899293 523541374 /nfs/dbraw/zinc/54/13/74/523541374.db2.gz BAGWPBZWCKHRNF-ABAIWWIYSA-N 1 0 264.344 2.393 10 0 CEAERO CC[C@]1(C(=O)Nc2ccc(OC)c(O)c2)CCC[NH2+]C1 ZINC000062855616 523542651 /nfs/dbraw/zinc/54/26/51/523542651.db2.gz DCASWMCXLRUKDS-HNNXBMFYSA-N 1 0 278.352 2.119 10 0 CEAERO CCn1cnnc1C1CC[NH+]([C@H](C)c2cnccn2)CC1 ZINC000184533570 523583553 /nfs/dbraw/zinc/58/35/53/523583553.db2.gz VOOXBKHXNQMMSM-GFCCVEGCSA-N 1 0 286.383 2.029 10 0 CEAERO COCC[N@H+](C)CCNc1nc(Cl)nc2ccccc21 ZINC000061400318 523615824 /nfs/dbraw/zinc/61/58/24/523615824.db2.gz CMMMLIWITWJHHS-UHFFFAOYSA-N 1 0 294.786 2.273 10 0 CEAERO CN(c1ccc(Cl)cc1C[NH3+])C1CCOCC1 ZINC000052856922 523637569 /nfs/dbraw/zinc/63/75/69/523637569.db2.gz FVUHLPYUPHUXBE-UHFFFAOYSA-N 1 0 254.761 2.414 10 0 CEAERO CN(c1cccc(F)c1)[C@@H](C[NH3+])C1CCOCC1 ZINC000052177996 523646111 /nfs/dbraw/zinc/64/61/11/523646111.db2.gz KSAAALNQTCMJQZ-AWEZNQCLSA-N 1 0 252.333 2.016 10 0 CEAERO CC[C@@](C)([NH3+])c1noc(-c2ccc3c(c2)CCO3)n1 ZINC000050892673 523646925 /nfs/dbraw/zinc/64/69/25/523646925.db2.gz YLZVJRZQUCPGQO-CQSZACIVSA-N 1 0 259.309 2.255 10 0 CEAERO COC(=O)[C@@H](c1csc2ccccc21)N1CC[NH2+]CC1 ZINC000054465325 523658919 /nfs/dbraw/zinc/65/89/19/523658919.db2.gz PDYRMRAQZAERJQ-CQSZACIVSA-N 1 0 290.388 2.021 10 0 CEAERO CN1C(=O)CC[C@H]([NH3+])[C@@H]1c1c(F)cccc1Cl ZINC000062211280 523686215 /nfs/dbraw/zinc/68/62/15/523686215.db2.gz IAZSHNIITZIQOI-JOYOIKCWSA-N 1 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267.760 2.239 10 0 CEAERO CCc1cc(N2CCC[C@H]2C[NH2+]CC(C)C)ncn1 ZINC000053697503 523795118 /nfs/dbraw/zinc/79/51/18/523795118.db2.gz JXEKGHQPNRGURR-AWEZNQCLSA-N 1 0 262.401 2.253 10 0 CEAERO COc1ccc(C)cc1C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000052943445 523802692 /nfs/dbraw/zinc/80/26/92/523802692.db2.gz VWOQBCOSSCXDGD-GFCCVEGCSA-N 1 0 276.380 2.122 10 0 CEAERO COC(=O)[C@@](C)(N)C[C@@H](C)[NH+]1CCC2(CCCC2)CC1 ZINC000068645435 523819349 /nfs/dbraw/zinc/81/93/49/523819349.db2.gz SKUFCFJDBCFLJN-HIFRSBDPSA-N 1 0 282.428 2.312 10 0 CEAERO COC(=O)[C@@](C)([NH3+])C[C@H](C)n1cnc2cc(C)c(C)cc21 ZINC000068648716 523819363 /nfs/dbraw/zinc/81/93/63/523819363.db2.gz VEJZBJFIJXGFKD-LRDDRELGSA-N 1 0 289.379 2.495 10 0 CEAERO CCc1ccc(-c2cc(N3CC[NH2+]CC3)n[nH]2)s1 ZINC000062669995 523854699 /nfs/dbraw/zinc/85/46/99/523854699.db2.gz CZNWWBSZBUZAKD-UHFFFAOYSA-N 1 0 262.382 2.110 10 0 CEAERO COc1ccc(C)cc1[C@@H](O)C[NH2+]CCCSC ZINC000069446462 523855001 /nfs/dbraw/zinc/85/50/01/523855001.db2.gz RDUPNSDJOKSFAH-ZDUSSCGKSA-N 1 0 269.410 2.380 10 0 CEAERO COc1ccc(C)cc1[C@](O)(C[NH2+]C1CC1)C1CC1 ZINC000049849426 523860363 /nfs/dbraw/zinc/86/03/63/523860363.db2.gz UVULDBCHCNNXQY-INIZCTEOSA-N 1 0 261.365 2.353 10 0 CEAERO CC[C@H](C)CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C)cc1 ZINC000054489121 523885215 /nfs/dbraw/zinc/88/52/15/523885215.db2.gz YGKOTQFTFRLBFH-NWDGAFQWSA-N 1 0 284.425 2.291 10 0 CEAERO CC[C@H](C)C[NH2+][C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000054467319 523886224 /nfs/dbraw/zinc/88/62/24/523886224.db2.gz PNUPRXNGPZXBML-RYUDHWBXSA-N 1 0 259.357 2.359 10 0 CEAERO COCCN1C[C@H](CC(C)C)[NH2+]C[C@@H]1CC(C)C ZINC000062626417 523888267 /nfs/dbraw/zinc/88/82/67/523888267.db2.gz UHLWRVJEXFGEMQ-GJZGRUSLSA-N 1 0 256.434 2.367 10 0 CEAERO COC(=O)[C@H](CC[N@@H+]1CCCC(C)(C)C1)NC(C)C ZINC000069516709 523898063 /nfs/dbraw/zinc/89/80/63/523898063.db2.gz CMJOAWREFHUOPV-ZDUSSCGKSA-N 1 0 270.417 2.038 10 0 CEAERO CN1CCN(C[C@@H]([NH3+])c2ccc3ccccc3c2)C1=O ZINC000052885750 523905093 /nfs/dbraw/zinc/90/50/93/523905093.db2.gz ORLLHJRGMQVQEP-OAHLLOKOSA-N 1 0 269.348 2.207 10 0 CEAERO CC[C@H](C)[N@H+](C)C[C@](NC(C)C)(C(=O)OC)C1CC1 ZINC000069096730 523922638 /nfs/dbraw/zinc/92/26/38/523922638.db2.gz OWINAFRFMWDJBR-SWLSCSKDSA-N 1 0 270.417 2.037 10 0 CEAERO CCc1ccc(CNC(=O)[C@H]2CCC[C@H]2[NH3+])s1 ZINC000151820523 523937996 /nfs/dbraw/zinc/93/79/96/523937996.db2.gz CSMHCCDDNJGUKC-NWDGAFQWSA-N 1 0 252.383 2.054 10 0 CEAERO COCC[NH2+]CCc1c(C)nc(-c2ccco2)nc1C ZINC000054853972 523939382 /nfs/dbraw/zinc/93/93/82/523939382.db2.gz QPBHBUDBZVUCGL-UHFFFAOYSA-N 1 0 275.352 2.132 10 0 CEAERO CC[C@H](C)N(CCOC)c1ncc([C@@H](C)[NH3+])s1 ZINC000054898055 523941427 /nfs/dbraw/zinc/94/14/27/523941427.db2.gz QXZVDWYFKVSOOV-VHSXEESVSA-N 1 0 257.403 2.414 10 0 CEAERO COCC[NH2+]C[C@@H]1C[C@@]1(C)c1ccc(F)c(F)c1 ZINC000054599024 523941590 /nfs/dbraw/zinc/94/15/90/523941590.db2.gz PZRBCJASPCBDRK-FZMZJTMJSA-N 1 0 255.308 2.478 10 0 CEAERO COCC[NH2+]C[C@@]1(Cc2cnn(C)c2)C[C@H]2CC[C@@H]1C2 ZINC000054639314 523942716 /nfs/dbraw/zinc/94/27/16/523942716.db2.gz LWXLESJPHNREBG-IMJJTQAJSA-N 1 0 277.412 2.005 10 0 CEAERO COCC[NH2+]C[C@@](C)(O)c1ccc(C(C)(C)C)cc1 ZINC000055033683 523943018 /nfs/dbraw/zinc/94/30/18/523943018.db2.gz NYRPEJWGUBROKC-MRXNPFEDSA-N 1 0 265.397 2.428 10 0 CEAERO COCC[NH2+]C[C@H]1C[C@H]1c1ccc2c(c1)CCCN2C ZINC000054598829 523944337 /nfs/dbraw/zinc/94/43/37/523944337.db2.gz JKRSMGIYUUVJLO-CVEARBPZSA-N 1 0 274.408 2.409 10 0 CEAERO COCC[NH2+]C[C@H]1C[C@@]1(C)Cc1ccccc1OC ZINC000054599138 523944569 /nfs/dbraw/zinc/94/45/69/523944569.db2.gz GALYRENZNZYHQL-GDBMZVCRSA-N 1 0 263.381 2.500 10 0 CEAERO COCC[NH2+]C[C@](C)(O)c1ccc2ccccc2c1 ZINC000055033614 523945084 /nfs/dbraw/zinc/94/50/84/523945084.db2.gz LGJPEXGEJUVEKT-INIZCTEOSA-N 1 0 259.349 2.283 10 0 CEAERO COCC[NH2+]Cc1cc(F)c(-n2cc(C)cn2)c(F)c1 ZINC000062738654 523948998 /nfs/dbraw/zinc/94/89/98/523948998.db2.gz QYVMADGJOBOSNF-UHFFFAOYSA-N 1 0 281.306 2.195 10 0 CEAERO COCC[NH2+]Cc1ccc(-n2ccnc2C)cc1C ZINC000062738615 523951797 /nfs/dbraw/zinc/95/17/97/523951797.db2.gz ADNVLIKSZCAUNH-UHFFFAOYSA-N 1 0 259.353 2.225 10 0 CEAERO CC[C@H](C)[NH+]1CCN(C(=O)c2cc(N)c(C)s2)CC1 ZINC000055064027 523951992 /nfs/dbraw/zinc/95/19/92/523951992.db2.gz RUFJVTVEKRFLHE-JTQLQIEISA-N 1 0 281.425 2.195 10 0 CEAERO COCC[NH2+]Cc1ccccc1N(C)C[C@@H]1CCCO1 ZINC000062737070 523954530 /nfs/dbraw/zinc/95/45/30/523954530.db2.gz BVBHRPQMLHDYRW-HNNXBMFYSA-N 1 0 278.396 2.038 10 0 CEAERO CC[C@H](C)N1CC[NH+](C[C@H]2C[C@H](C)CCC2=O)CC1 ZINC000055071489 523955426 /nfs/dbraw/zinc/95/54/26/523955426.db2.gz OMEKNJLJVOZAJF-QLFBSQMISA-N 1 0 266.429 2.408 10 0 CEAERO CCc1ccc(N(C)C[C@@H](O)C[NH2+]C(C)C)cc1 ZINC000049985816 523958211 /nfs/dbraw/zinc/95/82/11/523958211.db2.gz UZJSRPLHJOXLCE-HNNXBMFYSA-N 1 0 250.386 2.044 10 0 CEAERO CCc1ccc(N(C)CC2(C[NH3+])CCOCC2)cc1 ZINC000052183133 523958308 /nfs/dbraw/zinc/95/83/08/523958308.db2.gz VZSBJUMFQAAKRC-UHFFFAOYSA-N 1 0 262.397 2.441 10 0 CEAERO CC[C@H](C)[NH+]1CCN(c2cnc(C(C)C)nc2CO)CC1 ZINC000055069053 523960326 /nfs/dbraw/zinc/96/03/26/523960326.db2.gz PJSNBOPLEVZVAZ-ZDUSSCGKSA-N 1 0 292.427 2.013 10 0 CEAERO C[N@@H+]1CC[C@H](CNc2ccc(Cl)cc2C(N)=S)C1 ZINC000052858414 523982396 /nfs/dbraw/zinc/98/23/96/523982396.db2.gz PVIHFTDXCYGSBS-SECBINFHSA-N 1 0 283.828 2.338 10 0 CEAERO COC(=O)[C@](C)(C[C@@H](C)[N@H+](C)[C@@H](C)C1CC1)NC1CC1 ZINC000068625455 523999718 /nfs/dbraw/zinc/99/97/18/523999718.db2.gz HSLMURKNJUNXRK-WQGACYEGSA-N 1 0 282.428 2.179 10 0 CEAERO COC(=O)[C@](C)(N)C[C@@H](C)[NH+]1CCC(C(C)(C)C)CC1 ZINC000068641450 524000875 /nfs/dbraw/zinc/00/08/75/524000875.db2.gz DSDRRBBCAILKDN-MLGOLLRUSA-N 1 0 284.444 2.414 10 0 CEAERO COC(=O)[C@](C)(N)C[C@@H](C)[NH+]1CCC2(CCCC2)CC1 ZINC000068645440 524001651 /nfs/dbraw/zinc/00/16/51/524001651.db2.gz SKUFCFJDBCFLJN-UKRRQHHQSA-N 1 0 282.428 2.312 10 0 CEAERO CC[C@H](C)[NH2+]CCSc1nnc2ccccn21 ZINC000061409071 524003337 /nfs/dbraw/zinc/00/33/37/524003337.db2.gz QQBQVOHSXWMSFV-JTQLQIEISA-N 1 0 250.371 2.210 10 0 CEAERO COCCOc1ccc([C@@H](C)[NH3+])cc1Br ZINC000061699002 524051489 /nfs/dbraw/zinc/05/14/89/524051489.db2.gz ODURJRRKNRDHIU-MRVPVSSYSA-N 1 0 274.158 2.494 10 0 CEAERO C[NH+](C)CCCNc1cccc(Cl)c1C(N)=S ZINC000052904175 524057474 /nfs/dbraw/zinc/05/74/74/524057474.db2.gz RMZPBECWYANKTN-UHFFFAOYSA-N 1 0 271.817 2.338 10 0 CEAERO CNC(=O)[C@H](C)Oc1cc(C[NH2+]C(C)(C)C)ccc1OC ZINC000062732443 524099585 /nfs/dbraw/zinc/09/95/85/524099585.db2.gz KHTZCUTYCRABKR-NSHDSACASA-N 1 0 294.395 2.097 10 0 CEAERO C[C@H]1CCC[C@@H](N(C)C(=O)c2cc[nH+]c(NN)c2)C1 ZINC000051095148 524142188 /nfs/dbraw/zinc/14/21/88/524142188.db2.gz SFABPFBCGQQHIG-CMPLNLGQSA-N 1 0 262.357 2.018 10 0 CEAERO C[C@H](CC[NH+](C)C)N[C@@H](c1ccco1)c1nccn1C ZINC000049554133 524168085 /nfs/dbraw/zinc/16/80/85/524168085.db2.gz BZHSQFQADJEEBM-OCCSQVGLSA-N 1 0 276.384 2.032 10 0 CEAERO C[C@H](CC[NH2+]C1CC1)N1CCN(c2ccccc2F)CC1 ZINC000052374755 524194822 /nfs/dbraw/zinc/19/48/22/524194822.db2.gz POOCOSUSKYQWPF-CQSZACIVSA-N 1 0 291.414 2.478 10 0 CEAERO Cc1cc(C)c(C(=O)CN2CCC[NH2+]CC2)cc1C ZINC000050499178 524218577 /nfs/dbraw/zinc/21/85/77/524218577.db2.gz WKFGTBDYAQMQTM-UHFFFAOYSA-N 1 0 260.381 2.090 10 0 CEAERO COc1ccccc1-c1nccc(C[NH2+]C2CC2)n1 ZINC000054791988 524282348 /nfs/dbraw/zinc/28/23/48/524282348.db2.gz SYTPUTGRTBRKAC-UHFFFAOYSA-N 1 0 255.321 2.404 10 0 CEAERO Cc1cccc(C)c1OCCC[N@@H+]1CCCNC(=O)[C@H]1C ZINC000189296988 524310813 /nfs/dbraw/zinc/31/08/13/524310813.db2.gz GHJBMAJBIIBUDM-OAHLLOKOSA-N 1 0 290.407 2.283 10 0 CEAERO Cc1cc(C)c(OCC[C@H]([NH2+]C(C)C)C(N)=O)c(C)c1 ZINC000062541405 524311396 /nfs/dbraw/zinc/31/13/96/524311396.db2.gz IDCHQWZOSJVVDQ-AWEZNQCLSA-N 1 0 278.396 2.233 10 0 CEAERO C[C@H](C[NH+]1CCCC1)NC(=O)c1cccc2c1CCCN2 ZINC000061412282 524316743 /nfs/dbraw/zinc/31/67/43/524316743.db2.gz FERYHCGRQXSDAH-CYBMUJFWSA-N 1 0 287.407 2.259 10 0 CEAERO C[C@H](C[NH+]1CCCC1)Nc1cc2ccccc2c(=O)[nH]1 ZINC000049184079 524319183 /nfs/dbraw/zinc/31/91/83/524319183.db2.gz NUMNMOIHCHFYLQ-GFCCVEGCSA-N 1 0 271.364 2.424 10 0 CEAERO COc1ccc(F)cc1[C@](O)(C[NH2+]C1CC1)C1CC1 ZINC000049857203 524334164 /nfs/dbraw/zinc/33/41/64/524334164.db2.gz LCYYTAGISIYSMZ-HNNXBMFYSA-N 1 0 265.328 2.184 10 0 CEAERO Cc1cccc(CCNC(=O)[C@H]2[NH2+]CCC[C@@H]2C)c1 ZINC000051813318 524361736 /nfs/dbraw/zinc/36/17/36/524361736.db2.gz PWAUOTPQJFHLBF-ZFWWWQNUSA-N 1 0 260.381 2.042 10 0 CEAERO C[C@H]1CC[C@@H](NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])C[C@@H]1C ZINC000068598676 524366577 /nfs/dbraw/zinc/36/65/77/524366577.db2.gz WPXPZINNBAYCBJ-QNSTZXKLSA-N 1 0 252.402 2.445 10 0 CEAERO Cc1cccc(C[N@@H+](C)CC2(CO)CCOCC2)c1 ZINC000052199941 524375061 /nfs/dbraw/zinc/37/50/61/524375061.db2.gz LQCGNOUKDLMOHP-UHFFFAOYSA-N 1 0 263.381 2.216 10 0 CEAERO Cc1cccc(CN(C)c2ccnc(C(N)=[NH2+])c2)c1 ZINC000061814164 524380292 /nfs/dbraw/zinc/38/02/92/524380292.db2.gz XTGJLOBJQJONRW-UHFFFAOYSA-N 1 0 254.337 2.310 10 0 CEAERO C[C@@H](CC[NH+](C)C)NCc1cc2c(c(Cl)c1)OCO2 ZINC000049553784 524475079 /nfs/dbraw/zinc/47/50/79/524475079.db2.gz XHSOWWCUJISECV-JTQLQIEISA-N 1 0 284.787 2.499 10 0 CEAERO C[C@H](C[NH2+]C(C)(C)C)Cc1nnnn1-c1ccccc1 ZINC000052967136 524478967 /nfs/dbraw/zinc/47/89/67/524478967.db2.gz YWMUXORFAFQTNM-LBPRGKRZSA-N 1 0 273.384 2.229 10 0 CEAERO C[C@@H](CCNC(=O)C1CC[NH2+]CC1)c1ccccc1 ZINC000061910992 524487225 /nfs/dbraw/zinc/48/72/25/524487225.db2.gz KCGXTFOVQGTQBG-ZDUSSCGKSA-N 1 0 260.381 2.296 10 0 CEAERO C[C@@H](CC[NH2+]C1CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000052418231 524498513 /nfs/dbraw/zinc/49/85/13/524498513.db2.gz YFRKTTNVWYACEJ-AWEZNQCLSA-N 1 0 291.414 2.478 10 0 CEAERO COc1ccccc1Cc1nc(C)cc(C[C@H](C)[NH3+])n1 ZINC000054835284 524516337 /nfs/dbraw/zinc/51/63/37/524516337.db2.gz ALFXLSHFFWDLMY-NSHDSACASA-N 1 0 271.364 2.274 10 0 CEAERO COc1ccccc1N(C)Cc1ccnc(C(N)=[NH2+])c1 ZINC000068761754 524525241 /nfs/dbraw/zinc/52/52/41/524525241.db2.gz OCSDBNKXWLPHMU-UHFFFAOYSA-N 1 0 270.336 2.011 10 0 CEAERO COc1ccccc1N(C)Cc1ccnc(C[NH3+])c1 ZINC000068750365 524525723 /nfs/dbraw/zinc/52/57/23/524525723.db2.gz HHCNRGIDYBRJRB-UHFFFAOYSA-N 1 0 257.337 2.185 10 0 CEAERO C[C@@H](CCc1ccccc1)NC(=O)c1cc[nH+]c(NN)c1 ZINC000051119431 524535270 /nfs/dbraw/zinc/53/52/70/524535270.db2.gz MSCNUYSEPUMQTH-LBPRGKRZSA-N 1 0 284.363 2.118 10 0 CEAERO Cc1cc(C)n(C[C@H]2CC[C@H](C[NH2+]C(C)C)O2)n1 ZINC000052575921 524535311 /nfs/dbraw/zinc/53/53/11/524535311.db2.gz POFZCDYNNQQLDX-ZIAGYGMSSA-N 1 0 251.374 2.046 10 0 CEAERO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000068612162 524579737 /nfs/dbraw/zinc/57/97/37/524579737.db2.gz WNOKUVSFIMEUML-LALPHHSUSA-N 1 0 296.436 2.248 10 0 CEAERO COc1ccc(NC(=O)[C@@H]([NH3+])c2ccccc2)c(OC)c1 ZINC000055368166 524588261 /nfs/dbraw/zinc/58/82/61/524588261.db2.gz RBXNSAWAAFUOQS-HNNXBMFYSA-N 1 0 286.331 2.342 10 0 CEAERO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCCO2)cc1 ZINC000183127787 524606721 /nfs/dbraw/zinc/60/67/21/524606721.db2.gz MDNWLBKXSWGLLA-XUJVJEKNSA-N 1 0 292.379 2.179 10 0 CEAERO C[C@@H](CN1CCCCC1)[NH2+][C@@H](C)C(=O)N1CCCCCC1 ZINC000049501678 524607391 /nfs/dbraw/zinc/60/73/91/524607391.db2.gz MBPATAJYGMKRFJ-HOTGVXAUSA-N 1 0 295.471 2.242 10 0 CEAERO C[C@H]1CN(Cc2[nH+]c(NN)ccc2Cl)CC(C)(C)O1 ZINC000061638326 524647910 /nfs/dbraw/zinc/64/79/10/524647910.db2.gz ODCSXUFPWOSGRJ-VIFPVBQESA-N 1 0 284.791 2.020 10 0 CEAERO C[C@H](C[C@](C)([NH2+]C1CC1)C(=O)[O-])[N@@H+]1CCCC(C)(C)C1 ZINC000068647791 524652345 /nfs/dbraw/zinc/65/23/45/524652345.db2.gz HHMDSXLAGXMBSB-WBMJQRKESA-N 1 0 282.428 2.482 10 0 CEAERO COc1ccccc1OC[C@H]1CC[C@@H](C[NH2+]C2CC2)O1 ZINC000052675361 524684282 /nfs/dbraw/zinc/68/42/82/524684282.db2.gz MYORDOOAOLPETH-UONOGXRCSA-N 1 0 277.364 2.374 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C)N1C(=O)Nc1ccc(F)cc1 ZINC000069133503 524695695 /nfs/dbraw/zinc/69/56/95/524695695.db2.gz ACRCYZZCXHCIQT-UWVGGRQHSA-N 1 0 251.305 2.040 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C)N1C(=O)Cc1ccccc1Cl ZINC000069133271 524696818 /nfs/dbraw/zinc/69/68/18/524696818.db2.gz PMHANHAVHRLUNO-QWRGUYRKSA-N 1 0 266.772 2.091 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C)N1Cc1cn2cc(Cl)ccc2n1 ZINC000069134803 524698788 /nfs/dbraw/zinc/69/87/88/524698788.db2.gz CMJGZMZBLKKFOP-QWRGUYRKSA-N 1 0 278.787 2.170 10 0 CEAERO Cc1ccc(Cl)cc1-n1nnnc1C[NH2+]CC(C)C ZINC000054744191 524718927 /nfs/dbraw/zinc/71/89/27/524718927.db2.gz OSXVLXILBRIRJC-UHFFFAOYSA-N 1 0 279.775 2.370 10 0 CEAERO C[C@H](Cc1ccco1)NC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050944233 524744319 /nfs/dbraw/zinc/74/43/19/524744319.db2.gz JWJBJKKUOPHSAJ-OLZOCXBDSA-N 1 0 264.369 2.249 10 0 CEAERO Cc1ccc(Cl)cc1NS(=O)(=O)CC[NH2+]C(C)C ZINC000049631625 524756595 /nfs/dbraw/zinc/75/65/95/524756595.db2.gz QSFILIXTYMNIQG-UHFFFAOYSA-N 1 0 290.816 2.388 10 0 CEAERO C[C@H]1C[C@@H](C(=O)N2CCCC(C)(C)C2)CC[C@@H]1[NH3+] ZINC000070270132 524764782 /nfs/dbraw/zinc/76/47/82/524764782.db2.gz NSUVWZKUCBWGHQ-AVGNSLFASA-N 1 0 252.402 2.399 10 0 CEAERO Cc1ccc(F)c(C(=O)NC[C@H]2CCC[C@@H](C)[NH2+]2)c1 ZINC000052981651 524793805 /nfs/dbraw/zinc/79/38/05/524793805.db2.gz YJZDOAOANHHPGE-VXGBXAGGSA-N 1 0 264.344 2.395 10 0 CEAERO C[C@@H](COc1cccc(C[NH2+]C(C)(C)C)c1)C(N)=O ZINC000062731300 524824489 /nfs/dbraw/zinc/82/44/89/524824489.db2.gz LOCJRMOFRZGZTH-NSHDSACASA-N 1 0 264.369 2.075 10 0 CEAERO C[C@H]([NH3+])CCC(=O)N[C@@H](C)c1cc(F)ccc1F ZINC000070315196 524831337 /nfs/dbraw/zinc/83/13/37/524831337.db2.gz VVUIPLIJTCSROP-IUCAKERBSA-N 1 0 256.296 2.269 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1ccsc1)N1CCC[C@@H]1CCCO ZINC000052757510 524838137 /nfs/dbraw/zinc/83/81/37/524838137.db2.gz PPBOEZNGZUTKRD-YUTCNCBUSA-N 1 0 268.426 2.373 10 0 CEAERO Cc1ccc(F)cc1C(=O)N(CCC[NH3+])C1CC1 ZINC000062664136 524840188 /nfs/dbraw/zinc/84/01/88/524840188.db2.gz SEAUSIQTNMPCEL-UHFFFAOYSA-N 1 0 250.317 2.088 10 0 CEAERO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1nnc(-c2ccccc2)o1 ZINC000063195718 524840830 /nfs/dbraw/zinc/84/08/30/524840830.db2.gz MCLQXBVBQWEWDY-JSGCOSHPSA-N 1 0 286.379 2.438 10 0 CEAERO C[C@H]([NH3+])[C@H]1CCCN(c2ccc(C(N)=O)cc2Cl)C1 ZINC000070175203 524859280 /nfs/dbraw/zinc/85/92/80/524859280.db2.gz ZPMFHXTZNQPEKS-ONGXEEELSA-N 1 0 281.787 2.003 10 0 CEAERO C[C@@H](C[C@](C)([NH2+]C1CC1)C(=O)[O-])[N@H+](CC1CC1)C1CC1 ZINC000068648295 524862607 /nfs/dbraw/zinc/86/26/07/524862607.db2.gz ATDIXFBMTICUTL-ZBEGNZNMSA-N 1 0 280.412 2.235 10 0 CEAERO C[C@@H](C[C@](C)([NH3+])C(N)=O)Oc1cccc2ccccc21 ZINC000068656741 524863843 /nfs/dbraw/zinc/86/38/43/524863843.db2.gz GUCFMVHHABOMAN-ZBEGNZNMSA-N 1 0 272.348 2.200 10 0 CEAERO Cc1ccc(N(C)Cc2cccnc2C(N)=[NH2+])cc1 ZINC000061658364 524887345 /nfs/dbraw/zinc/88/73/45/524887345.db2.gz XOWPWRSGCLEUEP-UHFFFAOYSA-N 1 0 254.337 2.310 10 0 CEAERO Cc1ccc(N(CCC[NH3+])C(=O)[C@H]2CCCCO2)cc1 ZINC000050958271 524899622 /nfs/dbraw/zinc/89/96/22/524899622.db2.gz PNEVSWHEPDSAEL-OAHLLOKOSA-N 1 0 276.380 2.246 10 0 CEAERO Cc1ccc(N(CCC[NH3+])CCCCCO)cc1 ZINC000051020211 524900559 /nfs/dbraw/zinc/90/05/59/524900559.db2.gz IQOLOCSYGQXRHU-UHFFFAOYSA-N 1 0 250.386 2.313 10 0 CEAERO Cc1ccc(N)c(C(=O)N[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000053005659 524904056 /nfs/dbraw/zinc/90/40/56/524904056.db2.gz BMOTWRUIDBCOMK-ZDUSSCGKSA-N 1 0 275.396 2.181 10 0 CEAERO COc1ccc(OC)c([C@H]([NH3+])C[C@@H]2CCCO2)c1 ZINC000055234639 524907438 /nfs/dbraw/zinc/90/74/38/524907438.db2.gz UBAQSLMYHBINAJ-WCQYABFASA-N 1 0 251.326 2.273 10 0 CEAERO C[C@H](NC(=O)CC[C@@H]1CCCC[NH2+]1)c1cccc(O)c1 ZINC000050943499 524936793 /nfs/dbraw/zinc/93/67/93/524936793.db2.gz RXTYKJJMMOCWKP-JSGCOSHPSA-N 1 0 276.380 2.492 10 0 CEAERO C[C@@H]1CN(CCCn2ccnc2)[C@H](c2ccccc2)C[NH2+]1 ZINC000068698952 524952452 /nfs/dbraw/zinc/95/24/52/524952452.db2.gz SREUFEQPKWCROS-WBVHZDCISA-N 1 0 284.407 2.308 10 0 CEAERO COc1nc(Cl)nc(NCC[NH+](C(C)C)C(C)C)n1 ZINC000061513881 524970891 /nfs/dbraw/zinc/97/08/91/524970891.db2.gz AZZASTPNLRVOGX-UHFFFAOYSA-N 1 0 287.795 2.064 10 0 CEAERO C[C@@H](N(C)C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)C(C)(C)C ZINC000069051878 524979704 /nfs/dbraw/zinc/97/97/04/524979704.db2.gz IYDODICFHHKCKF-SKDRFNHKSA-N 1 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NOSGXOBKLYXTJH-UHFFFAOYSA-N 1 0 250.390 2.090 10 0 CEAERO Cc1nc(N(C)C2CC[NH+](C)CC2)sc1[C@@H](C)O ZINC000054910213 526950843 /nfs/dbraw/zinc/95/08/43/526950843.db2.gz MIRJBGWAQGTSSO-SNVBAGLBSA-N 1 0 269.414 2.035 10 0 CEAERO Cc1nc(N2CCC[C@H]2C[NH+](C)C)sc1[C@@H](C)O ZINC000061655532 526966340 /nfs/dbraw/zinc/96/63/40/526966340.db2.gz QVOGOMBJMZLFKR-MNOVXSKESA-N 1 0 269.414 2.035 10 0 CEAERO Cc1nc(N2CCOC[C@@H]2C)sc1C[NH2+]CC(C)C ZINC000054997334 526971059 /nfs/dbraw/zinc/97/10/59/526971059.db2.gz XCUIRIFWGGYHOB-NSHDSACASA-N 1 0 283.441 2.422 10 0 CEAERO Clc1ncccc1CN1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000052709696 527010743 /nfs/dbraw/zinc/01/07/43/527010743.db2.gz OWNJUZRDZNEYKK-QWHCGFSZSA-N 1 0 265.788 2.451 10 0 CEAERO NC(=O)c1cc(Cl)ccc1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000052858688 527026007 /nfs/dbraw/zinc/02/60/07/527026007.db2.gz MVPZJIQUXSXPDF-ZACCUICWSA-N 1 0 279.771 2.134 10 0 CEAERO O=C(N[C@H]1CC[NH2+]C2(CCCCC2)C1)C(F)(F)F ZINC000062810226 527052898 /nfs/dbraw/zinc/05/28/98/527052898.db2.gz AACZZAMAUAXUEI-VIFPVBQESA-N 1 0 264.291 2.120 10 0 CEAERO [NH3+]C1CCC(CCC(=O)N2CCCC[C@H]2CCO)CC1 ZINC000055124127 527139167 /nfs/dbraw/zinc/13/91/67/527139167.db2.gz HMAWHYIRJKTBHL-NRXISQOPSA-N 1 0 282.428 2.048 10 0 CEAERO [NH3+]C1CCC(CCC(=O)N2CCO[C@H]3CCC[C@H]32)CC1 ZINC000055137671 527139387 /nfs/dbraw/zinc/13/93/87/527139387.db2.gz IHOVKRVEQLEAQV-CVSAEHQPSA-N 1 0 280.412 2.064 10 0 CEAERO [NH3+]C1CCC(CCC(=O)N2CCO[C@@H]3CCC[C@@H]32)CC1 ZINC000055137669 527139676 /nfs/dbraw/zinc/13/96/76/527139676.db2.gz IHOVKRVEQLEAQV-PFSRBDOWSA-N 1 0 280.412 2.064 10 0 CEAERO [NH3+]C1CCN(c2cc(F)ccc2OC2CCOCC2)CC1 ZINC000069310971 527144252 /nfs/dbraw/zinc/14/42/52/527144252.db2.gz NWUJHKUSHLCJGP-UHFFFAOYSA-N 1 0 294.370 2.311 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1cccc(-c2nnco2)c1 ZINC000054308723 527167790 /nfs/dbraw/zinc/16/77/90/527167790.db2.gz HKSAKEHUONJGNM-LLVKDONJSA-N 1 0 286.335 2.065 10 0 CEAERO O=S(=O)(C[C@H]1CCC[NH2+]C1)NC1CCCCCCC1 ZINC000049640967 527186616 /nfs/dbraw/zinc/18/66/16/527186616.db2.gz DQWFPZGBUSLWER-ZDUSSCGKSA-N 1 0 288.457 2.018 10 0 CEAERO [NH3+]CCc1ccc(OC2CCOCC2)c(Cl)c1 ZINC000069310756 527196216 /nfs/dbraw/zinc/19/62/16/527196216.db2.gz AREREMGQOAUWMQ-UHFFFAOYSA-N 1 0 255.745 2.399 10 0 CEAERO [NH3+]C[C@@H](C(=O)Nc1cccc(O)c1)c1ccccc1 ZINC000061612553 527202413 /nfs/dbraw/zinc/20/24/13/527202413.db2.gz WUMAWAWPNOMABM-CQSZACIVSA-N 1 0 256.305 2.073 10 0 CEAERO Cn1cc(C[NH2+][C@H]2CCCC[C@H]2C(F)(F)F)nn1 ZINC000054860064 527221457 /nfs/dbraw/zinc/22/14/57/527221457.db2.gz JPXVSNIZHRLPJR-ZJUUUORDSA-N 1 0 262.279 2.026 10 0 CEAERO [NH3+]C[C@H](CC(=O)NCc1ccco1)c1ccccc1 ZINC000057545662 527225183 /nfs/dbraw/zinc/22/51/83/527225183.db2.gz NISLSEIXPIWITL-ZDUSSCGKSA-N 1 0 258.321 2.028 10 0 CEAERO Cn1cc(C[C@@H]([NH3+])c2ccc(Br)cc2)cn1 ZINC000050542314 527228828 /nfs/dbraw/zinc/22/88/28/527228828.db2.gz DTSKPGCEAZLNEX-GFCCVEGCSA-N 1 0 280.169 2.425 10 0 CEAERO [NH3+]Cc1ccc(CNC(=O)c2ccc3c(c2)CCO3)cc1 ZINC000050891890 527253380 /nfs/dbraw/zinc/25/33/80/527253380.db2.gz INJUZECVXHHXEO-UHFFFAOYSA-N 1 0 282.343 2.010 10 0 CEAERO [NH3+]Cc1cccc(NC(=O)NCCc2ccco2)c1 ZINC000049147544 527258925 /nfs/dbraw/zinc/25/89/25/527258925.db2.gz AWJMGRZBWXKCPP-UHFFFAOYSA-N 1 0 259.309 2.103 10 0 CEAERO [NH3+]Cc1cnn([C@@H]2CCCC[C@@H]2O)c1-c1ccccc1 ZINC000054600017 527264553 /nfs/dbraw/zinc/26/45/53/527264553.db2.gz SBTUPMCGHIIBMH-CABCVRRESA-N 1 0 271.364 2.485 10 0 CEAERO Cc1ncc(CNC[C@@H]([NH3+])Cc2ccccc2)s1 ZINC000049538861 527270740 /nfs/dbraw/zinc/27/07/40/527270740.db2.gz DFRDQJBXPSLSLC-ZDUSSCGKSA-N 1 0 261.394 2.111 10 0 CEAERO NNc1cc(CN2c3ccccc3CCCC2=O)cc[nH+]1 ZINC000052726658 527274714 /nfs/dbraw/zinc/27/47/14/527274714.db2.gz OHVDCKJUPSFXHS-UHFFFAOYSA-N 1 0 282.347 2.237 10 0 CEAERO O=C(Cc1ccsc1)N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000051358155 527316940 /nfs/dbraw/zinc/31/69/40/527316940.db2.gz MLFDOKBAEILSOI-STQMWFEESA-N 1 0 264.394 2.034 10 0 CEAERO [NH3+][C@@H]1CCc2c1cccc2OCCCn1ccnc1 ZINC000062798243 527371993 /nfs/dbraw/zinc/37/19/93/527371993.db2.gz PIAGGXLHBIFPFR-CQSZACIVSA-N 1 0 257.337 2.298 10 0 CEAERO [NH3+][C@@H]1CCc2c1cccc2OCC(=O)N1CCCCCC1 ZINC000062798851 527372335 /nfs/dbraw/zinc/37/23/35/527372335.db2.gz WOWLVVLKTXCZKA-OAHLLOKOSA-N 1 0 288.391 2.414 10 0 CEAERO O=C(Nc1cccc2c[nH]nc21)c1ccc2c(c1)C[NH2+]C2 ZINC000156695785 527387272 /nfs/dbraw/zinc/38/72/72/527387272.db2.gz VYVAZWISDCRJSG-UHFFFAOYSA-N 1 0 278.315 2.418 10 0 CEAERO [NH3+][C@H](Cc1ccccc1)[C@@H](O)c1ccc2c(c1)CCO2 ZINC000054685760 527389240 /nfs/dbraw/zinc/38/92/40/527389240.db2.gz FQTYRWAZUZGSHV-WBVHZDCISA-N 1 0 269.344 2.225 10 0 CEAERO [NH3+][C@H](c1cc2c(cc1Cl)OCCO2)[C@@H]1CCOC1 ZINC000048623087 527391336 /nfs/dbraw/zinc/39/13/36/527391336.db2.gz VKRQVOKBRNALAD-OQPBUACISA-N 1 0 269.728 2.148 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1NC(=O)c1cc(Cl)ccc1F ZINC000063173267 527404352 /nfs/dbraw/zinc/40/43/52/527404352.db2.gz FVVXFSGCQNPJID-QWRGUYRKSA-N 1 0 256.708 2.089 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1NC(=O)CCCc1cccs1 ZINC000063173128 527407555 /nfs/dbraw/zinc/40/75/55/527407555.db2.gz QXHXVYYRYDVNTB-NWDGAFQWSA-N 1 0 252.383 2.067 10 0 CEAERO [NH3+][C@H]1c2ccccc2OC[C@H]1N1Cc2ccccc2C1 ZINC000050910909 527421319 /nfs/dbraw/zinc/42/13/19/527421319.db2.gz KOCPMKMAGYMXMF-WBVHZDCISA-N 1 0 266.344 2.463 10 0 CEAERO Cc1nccn1CCOc1ccc(Cl)cc1C[NH3+] ZINC000049329377 527433909 /nfs/dbraw/zinc/43/39/09/527433909.db2.gz IKZWPRLPXCHUPY-UHFFFAOYSA-N 1 0 265.744 2.383 10 0 CEAERO Cn1ccnc1[C@@H]([NH3+])Cc1cccc(Br)c1 ZINC000069029127 527450538 /nfs/dbraw/zinc/45/05/38/527450538.db2.gz ATUJRWIVJGTPOS-NSHDSACASA-N 1 0 280.169 2.425 10 0 CEAERO Cc1ncn(C[C@@H]2CC[C@@H](C[NH2+]C(C)C)O2)c1C ZINC000052593711 527461424 /nfs/dbraw/zinc/46/14/24/527461424.db2.gz ABWAYMIONNMXBR-KBPBESRZSA-N 1 0 251.374 2.046 10 0 CEAERO O=c1cnc2ccccc2n1CC[NH2+]CCc1ccsc1 ZINC000053523686 527493489 /nfs/dbraw/zinc/49/34/89/527493489.db2.gz JVONROLGEBFRFP-UHFFFAOYSA-N 1 0 299.399 2.290 10 0 CEAERO O=c1cnn(CC[NH2+]CCc2cccs2)c2ccccc12 ZINC000053533010 527493590 /nfs/dbraw/zinc/49/35/90/527493590.db2.gz ZXDOSABMMIUANF-UHFFFAOYSA-N 1 0 299.399 2.290 10 0 CEAERO OCCC[C@H]1CCC[N@@H+]1Cc1ccnc(Cl)c1 ZINC000052759551 527546453 /nfs/dbraw/zinc/54/64/53/527546453.db2.gz PYOBPBRJWAUACJ-GFCCVEGCSA-N 1 0 254.761 2.472 10 0 CEAERO OCCOCC[NH2+]C1c2ccccc2Cc2ccccc21 ZINC000061669805 527557293 /nfs/dbraw/zinc/55/72/93/527557293.db2.gz KLCARESRWQJGSN-UHFFFAOYSA-N 1 0 283.371 2.279 10 0 CEAERO O=C(NCC1(Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000182657754 527569348 /nfs/dbraw/zinc/56/93/48/527569348.db2.gz DEVYKAAUZHNSOU-UHFFFAOYSA-N 1 0 272.392 2.125 10 0 CEAERO Cn1nnnc1Oc1ccc(-c2ccc(C[NH3+])cc2)cc1 ZINC000062939571 527657725 /nfs/dbraw/zinc/65/77/25/527657725.db2.gz KEEBUFLUWCDPCO-UHFFFAOYSA-N 1 0 281.319 2.128 10 0 CEAERO FC(F)(F)COCCC[NH2+]Cc1ccc2c(c1)OCO2 ZINC000061674808 527669435 /nfs/dbraw/zinc/66/94/35/527669435.db2.gz WRKGKGLRAZJBII-UHFFFAOYSA-N 1 0 291.269 2.474 10 0 CEAERO FC(F)(F)COCCC[NH2+]CCc1ccccn1 ZINC000049312213 527669807 /nfs/dbraw/zinc/66/98/07/527669807.db2.gz GSZGBZMRLYDERU-UHFFFAOYSA-N 1 0 262.275 2.183 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc[nH]c1=S ZINC000119518365 527978434 /nfs/dbraw/zinc/97/84/34/527978434.db2.gz SQYRSVNEHCXPTD-GFCCVEGCSA-N 1 0 293.436 2.221 10 0 CEAERO CCC[C@@H](C)C(=O)N1CC[N@H+](CCOCC)[C@H](CC)C1 ZINC000116767001 528852971 /nfs/dbraw/zinc/85/29/71/528852971.db2.gz OPWKUHMFYJXBNA-HUUCEWRRSA-N 1 0 284.444 2.382 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)CCc1scnc1C ZINC000175339420 529096617 /nfs/dbraw/zinc/09/66/17/529096617.db2.gz IVCCGXSMTHNUEF-ZDUSSCGKSA-N 1 0 267.442 2.410 10 0 CEAERO CC[C@@H]1CN(C(=O)N[C@H]2CCC[N@H+](CC)C2)CCS1 ZINC000174235078 529371428 /nfs/dbraw/zinc/37/14/28/529371428.db2.gz WNFKXSGIGMBLKH-QWHCGFSZSA-N 1 0 285.457 2.008 10 0 CEAERO CCC[NH2+][C@@H](CO)CN1c2ccccc2CC[C@@H]1C ZINC000085215631 535185793 /nfs/dbraw/zinc/18/57/93/535185793.db2.gz QWEJTMBFYVIJJD-DZGCQCFKSA-N 1 0 262.397 2.188 10 0 CEAERO CCO[C@H]1CCCN(c2cncc(C[NH2+]CC(C)C)n2)C1 ZINC000091421050 535621234 /nfs/dbraw/zinc/62/12/34/535621234.db2.gz GHGILGYSBSFYHD-HNNXBMFYSA-N 1 0 292.427 2.228 10 0 CEAERO CC[C@@H]1CN(c2ncnc3c2CCCC3)[C@@H](CC)C[NH2+]1 ZINC000094872548 535871061 /nfs/dbraw/zinc/87/10/61/535871061.db2.gz ZDKRSCYOPUTNOP-OLZOCXBDSA-N 1 0 274.412 2.322 10 0 CEAERO COc1ccc(Br)c(N2CC[NH2+]C[C@@H]2C)c1 ZINC000083869887 536630251 /nfs/dbraw/zinc/63/02/51/536630251.db2.gz UEWNUXPVFJXDIM-VIFPVBQESA-N 1 0 285.185 2.256 10 0 CEAERO Cc1ccnc(CN2C[C@H]3CCCC[N@H+]3C[C@H]2C)c1 ZINC000328170348 538838925 /nfs/dbraw/zinc/83/89/25/538838925.db2.gz KLSZEMQTQJUMOR-GDBMZVCRSA-N 1 0 259.397 2.449 10 0 CEAERO CCC[C@@]1(C[NH3+])CN(C(=O)[C@@H](C)C(C)(C)C)CCO1 ZINC000675059495 570365703 /nfs/dbraw/zinc/36/57/03/570365703.db2.gz QGWIDOXAAFRQLF-IUODEOHRSA-N 1 0 270.417 2.025 10 0 CEAERO [NH3+]CCc1c[nH]c(-c2cccc(Br)c2)n1 ZINC000013741026 560220315 /nfs/dbraw/zinc/22/03/15/560220315.db2.gz VSKJPAMQPJDPLL-UHFFFAOYSA-N 1 0 266.142 2.340 10 0 in-vitro CEAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@@H]1c1cc(Cl)ccn1 ZINC000757185868 574511729 /nfs/dbraw/zinc/51/17/29/574511729.db2.gz BCJQYRDFWBSDJQ-QWRGUYRKSA-N 1 0 282.771 2.380 10 0 CEAERO [NH3+]C[C@@H]1CCN1Cc1ccc(F)c(Br)c1 ZINC000757144297 574510282 /nfs/dbraw/zinc/51/02/82/574510282.db2.gz IWIGMUBUXSINIV-VIFPVBQESA-N 1 0 273.149 2.121 10 0 CEAERO CC1(C)C[NH2+][C@@]2(CCSC2)OC12CCOCC2 ZINC000757147167 574510438 /nfs/dbraw/zinc/51/04/38/574510438.db2.gz RWVVAWAFSDBFGR-ZDUSSCGKSA-N 1 0 257.399 2.015 10 0 CEAERO CCOCCC1(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCCC1 ZINC000261785226 574517198 /nfs/dbraw/zinc/51/71/98/574517198.db2.gz PQNYYYBYTXXFHY-HUUCEWRRSA-N 1 0 296.455 2.465 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCC(c2nccs2)CC1 ZINC000261781435 574517221 /nfs/dbraw/zinc/51/72/21/574517221.db2.gz PHDHPPHHWLHGAQ-QWHCGFSZSA-N 1 0 293.436 2.367 10 0 CEAERO OCCN1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2F)C1 ZINC000384734028 574842089 /nfs/dbraw/zinc/84/20/89/574842089.db2.gz PSALTNZRJVJSLG-ZDUSSCGKSA-N 1 0 286.778 2.025 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)Cc1cc(Cl)ccc1Cl ZINC000261831792 623486992 /nfs/dbraw/zinc/48/69/92/623486992.db2.gz VMGRVHUXHUALQG-MRVPVSSYSA-N 1 0 275.179 2.260 10 0 CEAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cn1 ZINC000757189888 622961123 /nfs/dbraw/zinc/96/11/23/622961123.db2.gz OGSRUBBKCKLEAZ-GHMZBOCLSA-N 1 0 282.771 2.380 10 0 CEAERO Cc1ncsc1[C@@H]1C[NH2+]C[C@H]1C(=O)OC(C)(C)C ZINC000757191320 622964410 /nfs/dbraw/zinc/96/44/10/622964410.db2.gz UHOZQSWWLWMBTI-NXEZZACHSA-N 1 0 268.382 2.096 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cn1ncsc1=S ZINC000177158116 625620243 /nfs/dbraw/zinc/62/02/43/625620243.db2.gz UGZWUCNTVPDABM-JTQLQIEISA-N 1 0 272.443 2.048 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cn1ncn(C2CC2)c1=S ZINC000177157773 625621249 /nfs/dbraw/zinc/62/12/49/625621249.db2.gz JGMAWZXXGMDPSR-CYBMUJFWSA-N 1 0 295.456 2.123 10 0 CEAERO CCOC(=O)c1cccnc1N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000050163815 623328538 /nfs/dbraw/zinc/32/85/38/623328538.db2.gz WBSXTPBWSOQWCB-RYUDHWBXSA-N 1 0 277.368 2.058 10 0 CEAERO CO[C@H](C)c1nsc(NC[C@]2(C)CCC[NH2+]C2)n1 ZINC000261559560 623378389 /nfs/dbraw/zinc/37/83/89/623378389.db2.gz DSNWPDRGEJUIPK-BXKDBHETSA-N 1 0 270.402 2.047 10 0 CEAERO CCNC(=O)[C@@H](C[NH3+])Cc1cccc2ccccc21 ZINC000050303921 623389236 /nfs/dbraw/zinc/38/92/36/623389236.db2.gz DHMGIAQYQGBNSR-CQSZACIVSA-N 1 0 256.349 2.093 10 0 CEAERO COCc1ccccc1CNC(=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089390492 623465219 /nfs/dbraw/zinc/46/52/19/623465219.db2.gz YXELLXJHTUDINH-CZUORRHYSA-N 1 0 290.407 2.214 10 0 CEAERO CO[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2CO)C12CCC2 ZINC000308358104 623668515 /nfs/dbraw/zinc/66/85/15/623668515.db2.gz DWPIGSAICIFIIG-ZOBORPQBSA-N 1 0 253.386 2.085 10 0 CEAERO Cc1ccnc(N2CC[NH2+]C(C)(C)C2)c1Br ZINC000235924880 625792261 /nfs/dbraw/zinc/79/22/61/625792261.db2.gz KAFYZTIXDRPPTE-UHFFFAOYSA-N 1 0 284.201 2.341 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CCCc2ccccc21 ZINC000235301420 624705426 /nfs/dbraw/zinc/70/54/26/624705426.db2.gz NUDISJCHYWUQCY-DFBGVHRSSA-N 1 0 258.365 2.036 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@@H]2C[NH2+]C[C@H]2C)s1 ZINC000235294493 625231659 /nfs/dbraw/zinc/23/16/59/625231659.db2.gz YPHLYFWIPDQZFU-DVVUODLYSA-N 1 0 252.383 2.089 10 0 CEAERO COc1cc2c(c(Br)c1)O[C@@H](C)[C@H]2[NH3+] ZINC000163000337 627340647 /nfs/dbraw/zinc/34/06/47/627340647.db2.gz ZGOPPMBOSDZATQ-SSDLBLMSSA-N 1 0 258.115 2.238 10 0 CEAERO CC(C)(C)SCCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000236595986 627395414 /nfs/dbraw/zinc/39/54/14/627395414.db2.gz YRRMLDBAXFTJFV-ZDUSSCGKSA-N 1 0 258.431 2.167 10 0 CEAERO [NH3+][C@H](CC1CC1)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000311378458 627649778 /nfs/dbraw/zinc/64/97/78/627649778.db2.gz UMYRMHIAPKEQOA-DUTNFGBUSA-N 1 0 262.397 2.055 10 0 CEAERO O[C@H]1CCC[C@H]([NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000396328013 628207358 /nfs/dbraw/zinc/20/73/58/628207358.db2.gz WDGFWKPPFMDGMS-YECOWLKZSA-N 1 0 281.318 2.116 10 0 CEAERO C[C@@H]1CN(C(=S)Nc2ccccc2)C[C@H]1[NH+](C)C ZINC000123124125 628354590 /nfs/dbraw/zinc/35/45/90/628354590.db2.gz HIQHTSJEFAKAKE-DGCLKSJQSA-N 1 0 263.410 2.265 10 0 CEAERO COCC1(c2noc(C[C@H]3CCC[NH2+]C3)n2)CCCC1 ZINC000312919794 628557266 /nfs/dbraw/zinc/55/72/66/628557266.db2.gz CIZKJWRMESKEDX-GFCCVEGCSA-N 1 0 279.384 2.070 10 0 CEAERO COCC1(c2noc([C@H]3CC[C@H]([NH3+])C3)n2)CCCC1 ZINC000312943885 628566295 /nfs/dbraw/zinc/56/62/95/628566295.db2.gz HLDRLSHCOFOXBT-QWRGUYRKSA-N 1 0 265.357 2.123 10 0 CEAERO CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@H]1CCCO[C@H]1C ZINC000249187351 628719695 /nfs/dbraw/zinc/71/96/95/628719695.db2.gz YKLZZJFSOZBMNZ-KKUMJFAQSA-N 1 0 281.396 2.078 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1c1nc(-c2ccc(F)cn2)no1 ZINC000094044396 628749791 /nfs/dbraw/zinc/74/97/91/628749791.db2.gz BRYUINQQAVUPIJ-PSASIEDQSA-N 1 0 262.288 2.113 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000261549733 628937342 /nfs/dbraw/zinc/93/73/42/628937342.db2.gz JJPHPMLFENEJMN-ZOBORPQBSA-N 1 0 252.402 2.317 10 0 CEAERO C[NH2+]C[C@H]1CCCN(c2cncc(Br)c2)C1 ZINC000261561466 628938416 /nfs/dbraw/zinc/93/84/16/628938416.db2.gz AOCKEUNFQKZIDP-SNVBAGLBSA-N 1 0 284.201 2.280 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1C ZINC000261735299 629170207 /nfs/dbraw/zinc/17/02/07/629170207.db2.gz LYSAGGFSRSGSFE-GHMZBOCLSA-N 1 0 284.787 2.140 10 0 CEAERO Cc1nc2cc(NC(=O)CC[C@H]3CCC[NH2+]3)ccc2[nH]1 ZINC000261798542 629242690 /nfs/dbraw/zinc/24/26/90/629242690.db2.gz RBLQFDQWGUSTGX-LLVKDONJSA-N 1 0 272.352 2.342 10 0 CEAERO CCc1cc(CC)nc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000261805268 629248817 /nfs/dbraw/zinc/24/88/17/629248817.db2.gz RVEGOLVLNRLHKL-TUKIKUTGSA-N 1 0 274.412 2.165 10 0 CEAERO C[C@H](C[NH3+])c1noc(-c2cccc(OC(F)F)c2)n1 ZINC000054158536 629261942 /nfs/dbraw/zinc/26/19/42/629261942.db2.gz MQVWUONINUFQIJ-SSDOTTSWSA-N 1 0 269.251 2.400 10 0 CEAERO CCN(c1ccc(C(=O)NC[C@@H](C)[NH2+]C)cc1)C(C)C ZINC000261830215 629262269 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Cc1nc(C)c(-c2nc(C[C@H]3CCC[NH2+]C3)no2)s1 ZINC000225431113 639497464 /nfs/dbraw/zinc/49/74/64/639497464.db2.gz HCIGZDNISVUSGY-SNVBAGLBSA-N 1 0 278.381 2.352 10 0 CEAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccc(Cl)nn1 ZINC000167261525 639510782 /nfs/dbraw/zinc/51/07/82/639510782.db2.gz LCEYNTPMNWXDPL-DGCLKSJQSA-N 1 0 280.803 2.189 10 0 CEAERO CCCOc1ccnc(NCc2ccc(C[NH3+])cc2)n1 ZINC000226634744 639559844 /nfs/dbraw/zinc/55/98/44/639559844.db2.gz VWJDOGULZITJQL-UHFFFAOYSA-N 1 0 272.352 2.336 10 0 CEAERO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)/C=C\c2ccccc2)C1 ZINC000227180640 639575256 /nfs/dbraw/zinc/57/52/56/639575256.db2.gz HOBHUGPRAQVPNB-LMRWQKIVSA-N 1 0 294.420 2.048 10 0 CEAERO NC(=O)C[C@@H]([NH3+])c1cc(Br)c(Cl)s1 ZINC000227904759 639608808 /nfs/dbraw/zinc/60/88/08/639608808.db2.gz IVACEXZSSGNYMR-SCSAIBSYSA-N 1 0 283.578 2.039 10 0 CEAERO C[C@@H](Cc1ccccc1Cl)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000104217753 639710478 /nfs/dbraw/zinc/71/04/78/639710478.db2.gz XIOXODKULYXKGL-NTZNESFSSA-N 1 0 280.799 2.243 10 0 CEAERO CCCc1ccc(S(=O)(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000061884201 639727474 /nfs/dbraw/zinc/72/74/74/639727474.db2.gz HHTOTOGHAFGZDM-ZFWWWQNUSA-N 1 0 296.436 2.045 10 0 CEAERO Cc1cc(C)n(C[C@H]2C[N@H+](C[Si](C)(C)C)CCO2)n1 ZINC000171746593 639729007 /nfs/dbraw/zinc/72/90/07/639729007.db2.gz DZJIQKLNRSKHAG-CQSZACIVSA-N 1 0 281.476 2.078 10 0 CEAERO COC1CC([NH2+][C@@H](C)c2nc3ccccc3n2C)C1 ZINC000230672881 639778490 /nfs/dbraw/zinc/77/84/90/639778490.db2.gz DJMSGQWMHRMSRS-UNXYVOJBSA-N 1 0 259.353 2.401 10 0 CEAERO CCNc1ccc(C)cc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000062984814 639803597 /nfs/dbraw/zinc/80/35/97/639803597.db2.gz STRGFUCCXJUFSB-ZDUSSCGKSA-N 1 0 275.396 2.203 10 0 CEAERO COc1ccc(Cc2nc(C[C@H]3CCC[NH2+]C3)no2)cc1 ZINC000063084769 639823762 /nfs/dbraw/zinc/82/37/62/639823762.db2.gz BLQJCIWBPNJQQB-CYBMUJFWSA-N 1 0 287.363 2.211 10 0 CEAERO Cc1c(C)c(C)c(S(=O)(=O)NCC[C@@H](C)[NH3+])c(C)c1C ZINC000063171286 639837130 /nfs/dbraw/zinc/83/71/30/639837130.db2.gz XSFUDFGVDMOIPI-SECBINFHSA-N 1 0 298.452 2.244 10 0 CEAERO C[NH+](C)C[C@@H](NC(=O)C1=CCCCO1)c1ccccc1 ZINC000173722932 639873357 /nfs/dbraw/zinc/87/33/57/639873357.db2.gz OZLHPNWMIMCNOQ-CQSZACIVSA-N 1 0 274.364 2.100 10 0 CEAERO Cc1cnc([C@H](C)NC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])o1 ZINC000231742795 639875991 /nfs/dbraw/zinc/87/59/91/639875991.db2.gz KYZAOCSEGJYKKV-TUAOUCFPSA-N 1 0 265.357 2.068 10 0 CEAERO CCc1cc(N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)nc(C)n1 ZINC000088760580 640010184 /nfs/dbraw/zinc/01/01/84/640010184.db2.gz XKKFUJHCJIEYRC-PBWFPOADSA-N 1 0 260.385 2.067 10 0 CEAERO COc1cccnc1NC[C@H]1[NH2+]CCc2ccccc21 ZINC000312443791 640027207 /nfs/dbraw/zinc/02/72/07/640027207.db2.gz WEJHMOUXWVTYBF-CQSZACIVSA-N 1 0 269.348 2.389 10 0 CEAERO Cc1ccc(CNC(=O)[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000089386703 640361818 /nfs/dbraw/zinc/36/18/18/640361818.db2.gz CYKHFNIOSRZXNI-GJZGRUSLSA-N 1 0 260.381 2.376 10 0 CEAERO CCC[N@H+](CC)CCNS(=O)(=O)/C=C/c1ccccc1 ZINC000175360935 641325726 /nfs/dbraw/zinc/32/57/26/641325726.db2.gz PRZPPIRVDIPMCE-GXDHUFHOSA-N 1 0 296.436 2.309 10 0 CEAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1cc(C)ccc1F ZINC000233697964 641334397 /nfs/dbraw/zinc/33/43/97/641334397.db2.gz GYCHSCRZMBAKLR-NEPJUHHUSA-N 1 0 251.301 2.000 10 0 CEAERO C[C@@H]1CCC[C@H](CC(=O)N[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000237606347 641359194 /nfs/dbraw/zinc/35/91/94/641359194.db2.gz YAFWHGFASBBMFF-XJFOESAGSA-N 1 0 252.402 2.446 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC000170856548 641367488 /nfs/dbraw/zinc/36/74/88/641367488.db2.gz BXURFGRTEFKAJO-SSDOTTSWSA-N 1 0 276.167 2.098 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CN1CC(CC)(CC)OC1=O ZINC000180252649 641436523 /nfs/dbraw/zinc/43/65/23/641436523.db2.gz OHYLEPWCQQXBAP-CQSZACIVSA-N 1 0 297.443 2.371 10 0 CEAERO O[C@@H](C[NH2+][C@@H]1COc2ccccc21)c1ccccc1 ZINC000070529588 641678872 /nfs/dbraw/zinc/67/88/72/641678872.db2.gz OGVIDILTOUJIJW-CABCVRRESA-N 1 0 255.317 2.443 10 0 CEAERO C[NH2+][C@H](C)CNCc1cc(Br)cs1 ZINC000070600573 641686121 /nfs/dbraw/zinc/68/61/21/641686121.db2.gz BASAHFILXHNWKR-SSDOTTSWSA-N 1 0 263.204 2.208 10 0 CEAERO O=C(C[N@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1)NCc1cccs1 ZINC000072140373 641870706 /nfs/dbraw/zinc/87/07/06/641870706.db2.gz XOXJCUYYHABKCA-CUFDPUGPSA-N 1 0 290.432 2.342 10 0 CEAERO C[C@@H](Nc1nccc(C(F)(F)F)n1)[C@@H]1CCC[NH2+]C1 ZINC000081586886 641912441 /nfs/dbraw/zinc/91/24/41/641912441.db2.gz PMHDKQXKJLJDMC-RKDXNWHRSA-N 1 0 274.290 2.295 10 0 CEAERO COc1ccc(C)cc1[C@@H](C)NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000123671137 649097262 /nfs/dbraw/zinc/09/72/62/649097262.db2.gz MBZVDDSXVAHGKK-BXUZGUMPSA-N 1 0 276.380 2.308 10 0 CEAERO CCC([NH3+])(CC)CNc1ccc(S(C)(=O)=O)cc1 ZINC000130054999 652209138 /nfs/dbraw/zinc/20/91/38/652209138.db2.gz ICQZZYPXVWBMBW-UHFFFAOYSA-N 1 0 270.398 2.020 10 0 CEAERO CC(C)(C)OC(=O)NC[C@H]1CC[NH2+][C@H](C2CC2)C1 ZINC000215666283 652901540 /nfs/dbraw/zinc/90/15/40/652901540.db2.gz UVKDTAFGVZJXHH-JQWIXIFHSA-N 1 0 254.374 2.289 10 0 CEAERO CCCCNC(=S)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000135584725 652973604 /nfs/dbraw/zinc/97/36/04/652973604.db2.gz URNLTXQXOYKVFU-LBPRGKRZSA-N 1 0 257.447 2.077 10 0 CEAERO CC(=O)Nc1ccc(NC(=O)[C@]2(C)CCCC[NH2+]2)cc1C ZINC000136155757 653046670 /nfs/dbraw/zinc/04/66/70/653046670.db2.gz CJXQWFPYSBCEAQ-INIZCTEOSA-N 1 0 289.379 2.424 10 0 CEAERO CC(C)[NH2+]CCCS(=O)(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000081983712 177911601 /nfs/dbraw/zinc/91/16/01/177911601.db2.gz FEBWSPDOYIDFIQ-CHWSQXEVSA-N 1 0 261.431 2.368 10 0 CEAERO O=C(OCc1ccccc1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000095643157 185017332 /nfs/dbraw/zinc/01/73/32/185017332.db2.gz QPGFLXGBPNFBPN-KGLIPLIRSA-N 1 0 260.337 2.150 10 0 CEAERO CCOC(C[N@@H+]1CCC[C@H]1Cn1ccnc1C)OCC ZINC000124565066 187143918 /nfs/dbraw/zinc/14/39/18/187143918.db2.gz BNUNQGWVUNUSOY-AWEZNQCLSA-N 1 0 281.400 2.055 10 0 CEAERO [NH3+]C[C@H](O[C@@H]1CCOC1)c1ccc(Br)s1 ZINC000082458963 178033750 /nfs/dbraw/zinc/03/37/50/178033750.db2.gz SURHFVZMXMLIRR-SFYZADRCSA-N 1 0 292.198 2.316 10 0 CEAERO Brc1ccc(NCC[C@@H]2CC[NH2+]C2)nc1 ZINC000082487570 178056560 /nfs/dbraw/zinc/05/65/60/178056560.db2.gz OUQBMSOKVXJOFE-VIFPVBQESA-N 1 0 270.174 2.256 10 0 CEAERO CC1(C)C[C@H]([NH2+]CCN2CCOCC2)c2ccccc2O1 ZINC000082504892 178069287 /nfs/dbraw/zinc/06/92/87/178069287.db2.gz RLBGYANNSCFXIK-HNNXBMFYSA-N 1 0 290.407 2.211 10 0 CEAERO [NH3+][C@@H](c1ccc(Br)cn1)C1CCOCC1 ZINC000095825690 185028640 /nfs/dbraw/zinc/02/86/40/185028640.db2.gz JUOOSNMPFILDKJ-LLVKDONJSA-N 1 0 271.158 2.271 10 0 CEAERO OC1CCC2(CC1)CC[NH+]([C@@H]1CCCC[C@@H]1O)CC2 ZINC000336259619 365538615 /nfs/dbraw/zinc/53/86/15/365538615.db2.gz OVISCPIQZIFCMB-CABCVRRESA-N 1 0 267.413 2.307 10 0 CEAERO Cc1cnn(-c2cc(Br)ccc2CC[NH3+])c1 ZINC000082612068 178125914 /nfs/dbraw/zinc/12/59/14/178125914.db2.gz QPTCXYSUFGHYGG-UHFFFAOYSA-N 1 0 280.169 2.444 10 0 CEAERO COC(=O)CSc1cc(Br)ccc1C[NH3+] ZINC000082616150 178126670 /nfs/dbraw/zinc/12/66/70/178126670.db2.gz KLFHEUXLGLKUCJ-UHFFFAOYSA-N 1 0 290.182 2.173 10 0 CEAERO [NH3+]CCc1cc(F)ccc1Sc1nncs1 ZINC000082617382 178126940 /nfs/dbraw/zinc/12/69/40/178126940.db2.gz ZWJADPUSWJVLQU-UHFFFAOYSA-N 1 0 255.343 2.330 10 0 CEAERO C[C@H]1C[C@@H]1CN(C)c1ncc(Br)cc1C[NH3+] ZINC000082650286 178141568 /nfs/dbraw/zinc/14/15/68/178141568.db2.gz OZFYHFJXKLJYGA-WCBMZHEXSA-N 1 0 284.201 2.395 10 0 CEAERO CC(C)CN(CCC[NH3+])c1ncc(Br)cn1 ZINC000082661584 178148562 /nfs/dbraw/zinc/14/85/62/178148562.db2.gz DWOBGBIUYNPGJT-UHFFFAOYSA-N 1 0 287.205 2.050 10 0 CEAERO CCC(CC)N(CC[NH3+])c1ncc(Br)cn1 ZINC000082663609 178152357 /nfs/dbraw/zinc/15/23/57/178152357.db2.gz DLCFZHGMQQWDSP-UHFFFAOYSA-N 1 0 287.205 2.193 10 0 CEAERO Cc1nn(-c2ccccc2)c(N(C)C(C)C)c1C[NH3+] ZINC000034957086 361800147 /nfs/dbraw/zinc/80/01/47/361800147.db2.gz FPKLQYZOFBXTCX-UHFFFAOYSA-N 1 0 258.369 2.484 10 0 CEAERO C[NH2+]CCC[S@](=O)c1ccc(Br)cc1 ZINC000082747057 178269072 /nfs/dbraw/zinc/26/90/72/178269072.db2.gz LRLSUFJZCIMEPB-CQSZACIVSA-N 1 0 276.199 2.166 10 0 CEAERO CC[C@](C)(O)C[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000123567497 365638720 /nfs/dbraw/zinc/63/87/20/365638720.db2.gz CFGKQTUHKNAKTM-HIFRSBDPSA-N 1 0 265.401 2.335 10 0 CEAERO CC(C)[N@@H+]1CCO[C@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 ZINC000096089025 185093668 /nfs/dbraw/zinc/09/36/68/185093668.db2.gz WTEHWVSCWPVYMT-HRCADAONSA-N 1 0 276.380 2.238 10 0 CEAERO c1cncc(O[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3C2CCC2)c1 ZINC000096089022 185094250 /nfs/dbraw/zinc/09/42/50/185094250.db2.gz LTAYJRNCKHPMIG-ARFHVFGLSA-N 1 0 274.364 2.245 10 0 CEAERO CSc1ccc(C)c(C(=O)N2CC[C@H]([NH3+])[C@H]2C)c1 ZINC000335499726 212180146 /nfs/dbraw/zinc/18/01/46/212180146.db2.gz KXQQLANDVUFGHC-MFKMUULPSA-N 1 0 264.394 2.279 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1CNc1ncc(Br)cn1 ZINC000082991968 178333358 /nfs/dbraw/zinc/33/33/58/178333358.db2.gz DNZNYUXGBDCBHA-WCBMZHEXSA-N 1 0 285.189 2.169 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)CSc1ccc(Cl)cc1 ZINC000335501342 212180704 /nfs/dbraw/zinc/18/07/04/212180704.db2.gz RHGRFNDFJLZEFK-JOYOIKCWSA-N 1 0 284.812 2.380 10 0 CEAERO [NH3+][C@H](CO)CSc1cc(Cl)ccc1Cl ZINC000082903111 178329077 /nfs/dbraw/zinc/32/90/77/178329077.db2.gz OFNBYGOTGFCOOY-SSDOTTSWSA-N 1 0 252.166 2.405 10 0 CEAERO [NH3+]C[C@@H](O)CCSc1cccc(Br)c1 ZINC000082916821 178329522 /nfs/dbraw/zinc/32/95/22/178329522.db2.gz YRPOUWDXYTYQLP-VIFPVBQESA-N 1 0 276.199 2.251 10 0 CEAERO [NH3+]C[C@H](O)CCSc1nc2ccccc2s1 ZINC000082917552 178329557 /nfs/dbraw/zinc/32/95/57/178329557.db2.gz UGKHGCNVUPGGNM-MRVPVSSYSA-N 1 0 254.380 2.098 10 0 CEAERO C[C@@](O)(C[NH3+])CCCSc1ncccc1Cl ZINC000082917642 178329650 /nfs/dbraw/zinc/32/96/50/178329650.db2.gz AAPJOPPQHREPQS-NSHDSACASA-N 1 0 260.790 2.317 10 0 CEAERO CC[NH2+][C@@H](CCO)c1cccc(Br)c1 ZINC000082918312 178330238 /nfs/dbraw/zinc/33/02/38/178330238.db2.gz FKHMFGGJFMRXSK-NSHDSACASA-N 1 0 258.159 2.482 10 0 CEAERO [NH3+][C@@]1(Cc2cc(Br)ccc2F)CCOC1 ZINC000083186984 178352047 /nfs/dbraw/zinc/35/20/47/178352047.db2.gz GQBPOXYOUIBYHZ-LLVKDONJSA-N 1 0 274.133 2.249 10 0 CEAERO [NH3+][C@]1(Cc2cc(F)ccc2Br)CCOC1 ZINC000083186625 178352058 /nfs/dbraw/zinc/35/20/58/178352058.db2.gz FXBGEIWXCASOOT-NSHDSACASA-N 1 0 274.133 2.249 10 0 CEAERO COc1ccc(Br)cc1C[C@@]1([NH3+])CCOC1 ZINC000083186759 178352257 /nfs/dbraw/zinc/35/22/57/178352257.db2.gz OQHCESPZJJWOBO-LBPRGKRZSA-N 1 0 286.169 2.118 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C)CN1CCc1cccc(F)c1 ZINC000083383570 178386283 /nfs/dbraw/zinc/38/62/83/178386283.db2.gz UFSBPDFKWPKIOA-DOMZBBRYSA-N 1 0 250.361 2.441 10 0 CEAERO C[NH2+][C@H](C)C(=O)c1cc(Br)ccc1F ZINC000083256671 178372040 /nfs/dbraw/zinc/37/20/40/178372040.db2.gz OEMYYJZUUDIKKF-ZCFIWIBFSA-N 1 0 260.106 2.379 10 0 CEAERO C[C@H]1[NH2+]CCO[C@@H]1c1cccc(Br)c1 ZINC000096884377 185120667 /nfs/dbraw/zinc/12/06/67/185120667.db2.gz BACMQQRWZKODEZ-KCJUWKMLSA-N 1 0 256.143 2.499 10 0 CEAERO Cc1nccn1CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000125424705 187183935 /nfs/dbraw/zinc/18/39/35/187183935.db2.gz IGBIWSZPXMZZRB-CHWSQXEVSA-N 1 0 251.374 2.081 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@H](C)c1ccc(OC)c(F)c1 ZINC000037032610 361889728 /nfs/dbraw/zinc/88/97/28/361889728.db2.gz VSICZIQIUDOUEL-SKDRFNHKSA-N 1 0 268.332 2.139 10 0 CEAERO [NH3+]Cc1ccc(Br)cc1-n1ccnc1 ZINC000036985444 361879474 /nfs/dbraw/zinc/87/94/74/361879474.db2.gz KSSZUBITAIJUMW-UHFFFAOYSA-N 1 0 252.115 2.094 10 0 CEAERO CCN(CC)C(=O)[C@H](C)[NH2+][C@H]1CCc2c1cccc2O ZINC000037126706 361898010 /nfs/dbraw/zinc/89/80/10/361898010.db2.gz PAJOAOUZMVGTEX-FZMZJTMJSA-N 1 0 276.380 2.226 10 0 CEAERO COc1cccc(C[NH2+][C@H]2CCC[C@@H](O)C2)c1OC ZINC000037165281 361902040 /nfs/dbraw/zinc/90/20/40/361902040.db2.gz RBLVBTPEBPJFOW-QWHCGFSZSA-N 1 0 265.353 2.097 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[NH2+]CC2 ZINC000096958546 185141516 /nfs/dbraw/zinc/14/15/16/185141516.db2.gz SNKZSRUKZKTDSA-CQSZACIVSA-N 1 0 254.374 2.387 10 0 CEAERO CC[C@@H](CO)[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000037888072 361958996 /nfs/dbraw/zinc/95/89/96/361958996.db2.gz AHTUSAHGFJVAEC-HOTGVXAUSA-N 1 0 259.349 2.234 10 0 CEAERO C[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1)[C@@H]1CCCO1 ZINC000037889775 361959138 /nfs/dbraw/zinc/95/91/38/361959138.db2.gz IBJKJVSHVKBGHP-WHOFXGATSA-N 1 0 299.798 2.237 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1cscc1C(F)(F)F ZINC000621657062 349652834 /nfs/dbraw/zinc/65/28/34/349652834.db2.gz BFRGZNOTVZFFIL-IMTBSYHQSA-N 1 0 278.299 2.329 10 0 CEAERO CCN1CCO[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC000122434309 539163749 /nfs/dbraw/zinc/16/37/49/539163749.db2.gz DASYIUKHBICCAM-OAHLLOKOSA-N 1 0 254.418 2.267 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]([NH3+])CCC[C@H]2C1 ZINC000307067045 539169180 /nfs/dbraw/zinc/16/91/80/539169180.db2.gz VIKVXDCBECSADD-SDDRHHMPSA-N 1 0 254.374 2.371 10 0 CEAERO Nc1[nH+]ccn1Cc1ccc(I)cc1 ZINC000307565585 539169439 /nfs/dbraw/zinc/16/94/39/539169439.db2.gz CCNGYVCAEZSCPT-UHFFFAOYSA-N 1 0 299.115 2.118 10 0 CEAERO [NH3+]CC1([C@@H](O)c2ccc(Br)s2)CC1 ZINC000307494765 539169542 /nfs/dbraw/zinc/16/95/42/539169542.db2.gz BWIGDSYRFOANFI-QMMMGPOBSA-N 1 0 262.172 2.283 10 0 CEAERO CCC[C@H](C(=O)N1CCc2cc(OC)ccc21)[NH+](C)C ZINC000125895695 187204107 /nfs/dbraw/zinc/20/41/07/187204107.db2.gz KWDZFCPZSQKUAH-OAHLLOKOSA-N 1 0 276.380 2.315 10 0 CEAERO CC(C)[C@@H](C)NC(=O)N1CCC2(CCC[C@H]2[NH3+])CC1 ZINC000725264311 539212795 /nfs/dbraw/zinc/21/27/95/539212795.db2.gz ZADKBEWFXISUFT-CHWSQXEVSA-N 1 0 267.417 2.334 10 0 CEAERO CC(C)[C@@H](C)NC(=O)N1CCC2(CCC[C@@H]2[NH3+])CC1 ZINC000725264312 539212907 /nfs/dbraw/zinc/21/29/07/539212907.db2.gz ZADKBEWFXISUFT-OLZOCXBDSA-N 1 0 267.417 2.334 10 0 CEAERO CC(C)(C)NC(=O)N1CCCc2cc(CC[NH3+])ccc21 ZINC000725264996 539213098 /nfs/dbraw/zinc/21/30/98/539213098.db2.gz MOVXYNJIYHKXIE-UHFFFAOYSA-N 1 0 275.396 2.449 10 0 CEAERO CN1C[C@H](C[NH2+]CCCC2CCCCC2)CC1=O ZINC000668617242 539215292 /nfs/dbraw/zinc/21/52/92/539215292.db2.gz XCTJZHLWPDIJBJ-AWEZNQCLSA-N 1 0 252.402 2.415 10 0 CEAERO CCN1CCO[C@H](C[NH2+]Cc2cccc(Cl)c2F)C1 ZINC000125146734 539215422 /nfs/dbraw/zinc/21/54/22/539215422.db2.gz QUSWFYOJRNXGFL-GFCCVEGCSA-N 1 0 286.778 2.289 10 0 CEAERO CC(C)(C)OC(=O)C1CC2(C1)C[C@@H]([NH3+])CCS2 ZINC000725271519 539215493 /nfs/dbraw/zinc/21/54/93/539215493.db2.gz HBINUSGSEYDXJM-QUNCOHTASA-N 1 0 257.399 2.331 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)C1 ZINC000219539578 539251846 /nfs/dbraw/zinc/25/18/46/539251846.db2.gz XJKXRNXIGQEIEA-LXTVHRRPSA-N 1 0 254.418 2.121 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[C@]23CCCc2ccccc23)C1 ZINC000246821689 282200221 /nfs/dbraw/zinc/20/02/21/282200221.db2.gz XHSIMQQVCMTRHS-SUMDDJOVSA-N 1 0 298.430 2.443 10 0 CEAERO C[C@@H](CN(C)Cc1ccccc1)[NH2+]C1CSC1 ZINC000307486820 539263982 /nfs/dbraw/zinc/26/39/82/539263982.db2.gz VHWXQZKVTOVHBK-LBPRGKRZSA-N 1 0 250.411 2.212 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)NCC[NH+](C)C)cc1F ZINC000133859764 539276323 /nfs/dbraw/zinc/27/63/23/539276323.db2.gz QMXLWFYMOQVMHN-NSHDSACASA-N 1 0 267.348 2.056 10 0 CEAERO CCc1cc2c(ncnc2N2CCC[C@@H](C[NH3+])C2)s1 ZINC000044532098 362153555 /nfs/dbraw/zinc/15/35/55/362153555.db2.gz NZZGEBIBBRGOSB-JTQLQIEISA-N 1 0 276.409 2.429 10 0 CEAERO Nc1cccnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000035367990 343422128 /nfs/dbraw/zinc/42/21/28/343422128.db2.gz DFPDYABQFPJWDY-UHFFFAOYSA-N 1 0 260.385 2.119 10 0 CEAERO CCOc1cc(C[NH3+])ccc1OC[C@@H]1CCCO1 ZINC000034957152 343421261 /nfs/dbraw/zinc/42/12/61/343421261.db2.gz PVWGHHCIPIWYAA-LBPRGKRZSA-N 1 0 251.326 2.102 10 0 CEAERO C[C@@H](NC(=O)[C@H]1CCCC[NH2+]1)c1cc(F)ccc1F ZINC000037007634 343424992 /nfs/dbraw/zinc/42/49/92/343424992.db2.gz XVTNCKBLUXLPMI-NOZJJQNGSA-N 1 0 268.307 2.284 10 0 CEAERO C[C@H](NC(=O)C1([NH3+])CCCC1)c1cc(F)ccc1F ZINC000037616307 343429801 /nfs/dbraw/zinc/42/98/01/343429801.db2.gz JUWCCIJOFKMKDT-VIFPVBQESA-N 1 0 268.307 2.414 10 0 CEAERO CN(CCCNC(=O)C1CCC([NH3+])CC1)c1ccccc1 ZINC000037622885 343429951 /nfs/dbraw/zinc/42/99/51/343429951.db2.gz CKOXDKRKZZDJEU-UHFFFAOYSA-N 1 0 289.423 2.147 10 0 CEAERO C[C@H](NC(=O)C1CCC([NH3+])CC1)c1cccs1 ZINC000037626260 343430363 /nfs/dbraw/zinc/43/03/63/343430363.db2.gz MYFMZHMRNOLIPM-WHXUTIOJSA-N 1 0 252.383 2.443 10 0 CEAERO CCN1CC2(CC[NH+](Cc3ccccc3)CC2)OC1=O ZINC000039370457 343436151 /nfs/dbraw/zinc/43/61/51/343436151.db2.gz YMOXYNSRRREQTP-UHFFFAOYSA-N 1 0 274.364 2.493 10 0 CEAERO O[C@@]1(Cc2ccc(Br)cc2F)CCC[NH2+]C1 ZINC000083504326 178534858 /nfs/dbraw/zinc/53/48/58/178534858.db2.gz MVZXVMWJCUGNHX-GFCCVEGCSA-N 1 0 288.160 2.245 10 0 CEAERO O=C(NCCCC[NH+]1CCCC1)c1ccc2c(c1)OCO2 ZINC000044456342 343472059 /nfs/dbraw/zinc/47/20/59/343472059.db2.gz BHNISQJEKCPAOL-UHFFFAOYSA-N 1 0 290.363 2.021 10 0 CEAERO CCCCOC[C@@H](O)C[NH2+]C[C@@H]1Cc2ccccc21 ZINC000227894081 539323435 /nfs/dbraw/zinc/32/34/35/539323435.db2.gz HCOYBQOVRYUXRX-GJZGRUSLSA-N 1 0 263.381 2.094 10 0 CEAERO CC[C@@H]1CC[C@@H](C)N(C(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000306095737 539327070 /nfs/dbraw/zinc/32/70/70/539327070.db2.gz MEZGOHVJQVZEEO-MGPQQGTHSA-N 1 0 252.402 2.413 10 0 CEAERO CCOc1cccc(CNC(=O)C[C@H]2CCC[NH2+]C2)c1 ZINC000054307508 343587460 /nfs/dbraw/zinc/58/74/60/343587460.db2.gz VBGFARAYWAVJPX-CQSZACIVSA-N 1 0 276.380 2.091 10 0 CEAERO COc1ccccc1CN(C)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054291224 343587479 /nfs/dbraw/zinc/58/74/79/343587479.db2.gz HKESQXGSZWKJJS-CYBMUJFWSA-N 1 0 276.380 2.043 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)Nc1cc(C(C)(C)C)[nH]n1 ZINC000228343804 539337567 /nfs/dbraw/zinc/33/75/67/539337567.db2.gz WKIKCFRPBVQQEF-SECBINFHSA-N 1 0 252.362 2.019 10 0 CEAERO Cc1ccc([C@H]([NH3+])CN2C(=O)c3ccccc3C2=O)s1 ZINC000059113080 343652179 /nfs/dbraw/zinc/65/21/79/343652179.db2.gz MZLPXZNLTJRJBZ-GFCCVEGCSA-N 1 0 286.356 2.353 10 0 CEAERO COc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2O)c(F)c1 ZINC000228598633 539349932 /nfs/dbraw/zinc/34/99/32/539349932.db2.gz ZUTOVYOPKVBLNN-IUODEOHRSA-N 1 0 267.344 2.475 10 0 CEAERO O=C(N[C@@H]1CC[NH2+]C1)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000126889321 187269447 /nfs/dbraw/zinc/26/94/47/187269447.db2.gz FNOBPZKOLZYPGF-UPJWGTAASA-N 1 0 298.308 2.287 10 0 CEAERO [NH3+]C1CCN(c2nc(C(F)(F)F)cs2)CC1 ZINC000075732840 343864870 /nfs/dbraw/zinc/86/48/70/343864870.db2.gz OKBLWEOWKGNEAN-UHFFFAOYSA-N 1 0 251.277 2.089 10 0 CEAERO CCCOc1ccc(OCCN2CCC[C@H]2C[NH3+])cc1 ZINC000128164166 187354371 /nfs/dbraw/zinc/35/43/71/187354371.db2.gz FSEQYBDUAQTFEG-AWEZNQCLSA-N 1 0 278.396 2.277 10 0 CEAERO CCc1ccc([C@@H]2CCCC[N@@H+]2C[C@@H](O)COC)o1 ZINC000127062590 187279678 /nfs/dbraw/zinc/27/96/78/187279678.db2.gz HMJLLNKQQJOXBU-OCCSQVGLSA-N 1 0 267.369 2.376 10 0 CEAERO CC1(C)CC(NC(=O)c2ccc(O)cc2)CC(C)(C)[NH2+]1 ZINC000084829034 344091125 /nfs/dbraw/zinc/09/11/25/344091125.db2.gz BZSHQERLRUYMLM-UHFFFAOYSA-N 1 0 276.380 2.431 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]C2CCC(C)(C)CC2)C1 ZINC000090715086 344143212 /nfs/dbraw/zinc/14/32/12/344143212.db2.gz DIWNTIBXORYQBF-AWEZNQCLSA-N 1 0 254.418 2.266 10 0 CEAERO C[C@@]1(O)CCN(Cc2ccc(F)cc2)C[C@H]1[NH+]1CCCC1 ZINC000097942661 344246667 /nfs/dbraw/zinc/24/66/67/344246667.db2.gz FCSYZGIOXHDDKG-IAGOWNOFSA-N 1 0 292.398 2.247 10 0 CEAERO C[C@H]1CCC[N@@H+]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000113333651 344276712 /nfs/dbraw/zinc/27/67/12/344276712.db2.gz LAUIXSJMNZRLFP-NWDGAFQWSA-N 1 0 254.374 2.480 10 0 CEAERO COC[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)[C@@H]1C(=O)OC ZINC000114899477 344281361 /nfs/dbraw/zinc/28/13/61/344281361.db2.gz JZUCJUDMEIBBFI-QEJZJMRPSA-N 1 0 277.364 2.258 10 0 CEAERO CC(C)(C)c1ccc(NC(=O)C2(O)CC[NH2+]CC2)cc1 ZINC000115335821 344282682 /nfs/dbraw/zinc/28/26/82/344282682.db2.gz WTDRUFXKWRSYGK-UHFFFAOYSA-N 1 0 276.380 2.037 10 0 CEAERO Cc1cnc([C@@H](C)NC(=O)C[C@H]2CCC[NH2+]C2)s1 ZINC000124514395 344314899 /nfs/dbraw/zinc/31/48/99/344314899.db2.gz PXUHRVIZGBGUPB-GHMZBOCLSA-N 1 0 267.398 2.018 10 0 CEAERO [NH3+]Cc1cnc(-c2ccc(Br)cn2)s1 ZINC000130043360 344349199 /nfs/dbraw/zinc/34/91/99/344349199.db2.gz UIFQZXNXUYSSIJ-UHFFFAOYSA-N 1 0 270.155 2.426 10 0 CEAERO O=C(Nc1cccc2ccncc21)[C@H]1CCC[NH2+]C1 ZINC000131173107 344356921 /nfs/dbraw/zinc/35/69/21/344356921.db2.gz PELVMRVEDLUBKM-LBPRGKRZSA-N 1 0 255.321 2.173 10 0 CEAERO OCC1([NH+]2CCN(Cc3ccccc3)CC2)CCCCC1 ZINC000139831463 344395720 /nfs/dbraw/zinc/39/57/20/344395720.db2.gz LQOQWTYIFAZNAJ-UHFFFAOYSA-N 1 0 288.435 2.499 10 0 CEAERO C[NH+](C)C[C@@H]1CCN(c2cc(N)c([N+](=O)[O-])cc2Cl)C1 ZINC000149171144 344414950 /nfs/dbraw/zinc/41/49/50/344414950.db2.gz QDYSJENUSNQTIN-VIFPVBQESA-N 1 0 298.774 2.218 10 0 CEAERO [NH3+]C[C@@H]1CCCN1C(=O)CCCc1c[nH]c2ccccc12 ZINC000156075450 344440903 /nfs/dbraw/zinc/44/09/03/344440903.db2.gz GMMBKXIVFRSNKC-AWEZNQCLSA-N 1 0 285.391 2.440 10 0 CEAERO O[C@H](C[NH2+]C[C@@H]1CCCCS1)COCc1ccco1 ZINC000158272202 344450858 /nfs/dbraw/zinc/45/08/58/344450858.db2.gz IIAYMKGBIFASOQ-OCCSQVGLSA-N 1 0 285.409 2.032 10 0 CEAERO [NH3+]C1CC(F)(Cc2cncc(Br)c2)C1 ZINC000161975329 344466069 /nfs/dbraw/zinc/46/60/69/344466069.db2.gz JCYFQNWJBRHWSO-UHFFFAOYSA-N 1 0 259.122 2.216 10 0 CEAERO F[C@@]1(Cc2ccc(Br)cn2)CC[NH2+]C1 ZINC000161975475 344466475 /nfs/dbraw/zinc/46/64/75/344466475.db2.gz NXFACPMYQFXXEW-SNVBAGLBSA-N 1 0 259.122 2.088 10 0 CEAERO [NH3+]C/C=C/CNc1ncc(Cl)cc1Br ZINC000162829596 344468801 /nfs/dbraw/zinc/46/88/01/344468801.db2.gz KCZFPHCERPLLQA-OWOJBTEDSA-N 1 0 276.565 2.424 10 0 CEAERO C[C@@H](c1cc(F)cc(F)c1F)N1CC[NH2+][C@H](C)C1 ZINC000164860958 344473324 /nfs/dbraw/zinc/47/33/24/344473324.db2.gz XJIOCNYNBZDYHS-BDAKNGLRSA-N 1 0 258.287 2.459 10 0 CEAERO Cc1ccc(N)cc1-c1ccc(CN2CCOCC2)cn1 ZINC000167658924 344478915 /nfs/dbraw/zinc/47/89/15/344478915.db2.gz LIJGBNHLDAATQY-UHFFFAOYSA-N 1 0 283.375 2.471 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]1)c1occc1Br ZINC000168737302 344481155 /nfs/dbraw/zinc/48/11/55/344481155.db2.gz JHQSZIGJRFIRPF-ZETCQYMHSA-N 1 0 258.115 2.367 10 0 CEAERO C[C@H](CCc1ccccc1)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170861702 344491848 /nfs/dbraw/zinc/49/18/48/344491848.db2.gz SKUWVWJLOVHCKL-GDBMZVCRSA-N 1 0 289.423 2.353 10 0 CEAERO C[C@@H]([NH3+])[C@H](O)c1cc(Br)ccc1Cl ZINC000218533018 344536858 /nfs/dbraw/zinc/53/68/58/344536858.db2.gz RGIPMGGWTVZYRV-ANLVUFKYSA-N 1 0 264.550 2.483 10 0 CEAERO Cc1cc(C)nc(N2CCc3ccccc3[C@@H]2C[NH3+])n1 ZINC000227724408 344556491 /nfs/dbraw/zinc/55/64/91/344556491.db2.gz PSZDHMMJIDEPRO-HNNXBMFYSA-N 1 0 268.364 2.156 10 0 CEAERO C[C@H](C[NH3+])C(=O)c1cccc(Br)c1F ZINC000235452636 344591090 /nfs/dbraw/zinc/59/10/90/344591090.db2.gz ITQMBKKIBSZUOG-ZCFIWIBFSA-N 1 0 260.106 2.366 10 0 CEAERO C[C@@]1(c2ccc(I)cc2)CC[NH2+]1 ZINC000235417617 344591103 /nfs/dbraw/zinc/59/11/03/344591103.db2.gz LTLUPTCCBBODQH-JTQLQIEISA-N 1 0 273.117 2.500 10 0 CEAERO C[C@H](C[NH3+])Nc1c(F)cc(Br)cc1F ZINC000235464589 344591519 /nfs/dbraw/zinc/59/15/19/344591519.db2.gz YTPAADGJRWZHDV-RXMQYKEDSA-N 1 0 265.101 2.486 10 0 CEAERO Cc1cc(OCC(N)=[NH2+])cc(C)c1Br ZINC000235754016 344592701 /nfs/dbraw/zinc/59/27/01/344592701.db2.gz IIEXXQVMRZZWLD-UHFFFAOYSA-N 1 0 257.131 2.381 10 0 CEAERO FC(F)(F)Oc1ccc(CO[C@@H]2CC[NH2+]C2)cc1 ZINC000051782079 362436789 /nfs/dbraw/zinc/43/67/89/362436789.db2.gz LIKGEUCAHWRFRN-LLVKDONJSA-N 1 0 261.243 2.464 10 0 CEAERO [NH3+][C@H]1CCN(c2c(F)cccc2Br)C1 ZINC000232131111 344576976 /nfs/dbraw/zinc/57/69/76/344576976.db2.gz NMYOEICKBOXTPO-ZETCQYMHSA-N 1 0 259.122 2.126 10 0 CEAERO C[NH2+]Cc1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000234385848 344584489 /nfs/dbraw/zinc/58/44/89/344584489.db2.gz LRJNSMKUWCHXTK-UHFFFAOYSA-N 1 0 266.300 2.207 10 0 CEAERO O=C1NCCC[C@H]1[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000050394990 362418166 /nfs/dbraw/zinc/41/81/66/362418166.db2.gz NXBRJWINAUQHJG-UXUKBGGZSA-N 1 0 278.783 2.454 10 0 CEAERO CCc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2CCCO)cc1 ZINC000052763051 362474249 /nfs/dbraw/zinc/47/42/49/362474249.db2.gz MEJWDGBADPEAPK-MRXNPFEDSA-N 1 0 290.407 2.424 10 0 CEAERO C[NH+](C)C[C@H](NC(=O)NCc1cccnc1)c1ccccc1 ZINC000053249425 362489146 /nfs/dbraw/zinc/48/91/46/362489146.db2.gz NZWIJGMFGNTXDK-INIZCTEOSA-N 1 0 298.390 2.184 10 0 CEAERO CCCCO[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]([NH3+])C2)C1(C)C ZINC000262656529 344655413 /nfs/dbraw/zinc/65/54/13/344655413.db2.gz ZFPZFLINGJWZDT-ZOBORPQBSA-N 1 0 282.428 2.214 10 0 CEAERO CC[C@@H]1CCCC[C@@H]1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000251789753 344638100 /nfs/dbraw/zinc/63/81/00/344638100.db2.gz NMPUEPFWYYXQJV-MCIONIFRSA-N 1 0 252.402 2.461 10 0 CEAERO CC[C@H]([NH3+])c1nc2c[nH]cc(Br)c-2n1 ZINC000307160618 344720518 /nfs/dbraw/zinc/72/05/18/344720518.db2.gz DVSNZJYUYMDONI-LURJTMIESA-N 1 0 255.119 2.130 10 0 CEAERO C[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000307655307 344723601 /nfs/dbraw/zinc/72/36/01/344723601.db2.gz OGQOGEGOIVBPHZ-QJPTWQEYSA-N 1 0 254.374 2.241 10 0 CEAERO CC(C)C[C@H]1CCN(C(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000307785030 344724691 /nfs/dbraw/zinc/72/46/91/344724691.db2.gz ASEVFJSSNXMGKF-ZIAGYGMSSA-N 1 0 252.402 2.271 10 0 CEAERO C[C@@H]1CC[C@H](C(=O)N[C@@H](CCC[NH3+])c2ccccc2)O1 ZINC000312670863 344739596 /nfs/dbraw/zinc/73/95/96/344739596.db2.gz LRTXMFXKQZSYJG-VHDGCEQUSA-N 1 0 276.380 2.150 10 0 CEAERO C[C@H]1C[NH2+]C2(CCN(C(=O)OC(C)(C)C)CC2)S1 ZINC000300857379 344702040 /nfs/dbraw/zinc/70/20/40/344702040.db2.gz OQFFTQIBDBSGHZ-JTQLQIEISA-N 1 0 272.414 2.439 10 0 CEAERO N[C@@H](CC[NH3+])c1c(Cl)cnc(Cl)c1Cl ZINC000306565059 344714597 /nfs/dbraw/zinc/71/45/97/344714597.db2.gz FGUMMPGURGQTJP-YFKPBYRVSA-N 1 0 254.548 2.390 10 0 CEAERO C[C@H]1CCS[C@@]2(CCN(C(=O)OC(C)(C)C)C2)[NH2+]1 ZINC000306580344 344714611 /nfs/dbraw/zinc/71/46/11/344714611.db2.gz NSMYOQFLBWFDLR-GXFFZTMASA-N 1 0 272.414 2.439 10 0 CEAERO CCc1nsc(N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)n1 ZINC000328281257 344755153 /nfs/dbraw/zinc/75/51/53/344755153.db2.gz RXJMPVMSVNLSHL-OLZOCXBDSA-N 1 0 288.420 2.279 10 0 CEAERO COc1cc(NC[C@H]2CCCC[NH2+]2)c([N+](=O)[O-])cc1C ZINC000380060970 344821703 /nfs/dbraw/zinc/82/17/03/344821703.db2.gz FVCNCZRIFYBCNL-LLVKDONJSA-N 1 0 279.340 2.466 10 0 CEAERO C[C@H](CC(N)=[NH2+])N(C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000083757598 178742712 /nfs/dbraw/zinc/74/27/12/178742712.db2.gz BRJNYHMHNHAYNI-GYPVXTSCSA-N 1 0 292.427 2.311 10 0 CEAERO Cc1cc(C#N)ccc1C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398974438 344856185 /nfs/dbraw/zinc/85/61/85/344856185.db2.gz BYDXJEYTTLTVOR-YESZJQIVSA-N 1 0 270.376 2.460 10 0 CEAERO Cc1cnc(CC[N@@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)c(C)c1 ZINC000401032657 344865791 /nfs/dbraw/zinc/86/57/91/344865791.db2.gz NENXIHAACAELQV-JYJNAYRXSA-N 1 0 274.408 2.334 10 0 CEAERO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CO[C@H](C3CC3)C2)C[C@H](C)O1 ZINC000668101321 539415593 /nfs/dbraw/zinc/41/55/93/539415593.db2.gz NJGIWGDJJURZIG-XXUMUBMXSA-N 1 0 253.386 2.347 10 0 CEAERO Fc1c(Cl)cccc1CN1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404255915 344878346 /nfs/dbraw/zinc/87/83/46/344878346.db2.gz LXLYYOFVGYDVBA-QWHCGFSZSA-N 1 0 284.762 2.042 10 0 CEAERO Fc1c(Cl)cccc1CN1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404255916 344878750 /nfs/dbraw/zinc/87/87/50/344878750.db2.gz LXLYYOFVGYDVBA-STQMWFEESA-N 1 0 284.762 2.042 10 0 CEAERO CC[NH2+][C@H](C)CC[S@](=O)c1ccccc1OC ZINC000083997443 178769424 /nfs/dbraw/zinc/76/94/24/178769424.db2.gz IMBKUVHNIDPYRG-PIGZYNQJSA-N 1 0 255.383 2.191 10 0 CEAERO CCOc1ccc([C@@H](C)[NH2+]C)cc1C[S@](C)=O ZINC000084046152 178778714 /nfs/dbraw/zinc/77/87/14/178778714.db2.gz YZFWRTWKTDBLAA-BMLIUANNSA-N 1 0 255.383 2.244 10 0 CEAERO C[NH2+][C@H](C[S@@](=O)CCOC)C12CC3CC(CC(C3)C1)C2 ZINC000084035338 178775019 /nfs/dbraw/zinc/77/50/19/178775019.db2.gz HYTKBFGLMKIPSK-VWHDBJIPSA-N 1 0 299.480 2.186 10 0 CEAERO CCC[C@@](C[NH3+])(C[C@H](C)O)c1cccc(OC)c1 ZINC000584597097 344961763 /nfs/dbraw/zinc/96/17/63/344961763.db2.gz ZNSQIMFHMAAPQL-WFASDCNBSA-N 1 0 251.370 2.463 10 0 CEAERO CC[C@H](C)[NH2+][C@@H](C)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000584605109 344963707 /nfs/dbraw/zinc/96/37/07/344963707.db2.gz BNZHZYBYIUOPJY-QWRGUYRKSA-N 1 0 298.408 2.017 10 0 CEAERO CCC[C@](C)(O)C[NH2+]CCOc1cccc(OC)c1 ZINC000584627055 344968650 /nfs/dbraw/zinc/96/86/50/344968650.db2.gz HSJFCIYMZRLYDY-HNNXBMFYSA-N 1 0 267.369 2.215 10 0 CEAERO c1ccc(Cc2ccccc2N2CC[NH2+]CC2)nc1 ZINC000584651458 344973627 /nfs/dbraw/zinc/97/36/27/344973627.db2.gz VPDHUKKCBIVONL-UHFFFAOYSA-N 1 0 253.349 2.082 10 0 CEAERO CC(C)(C)OC(=O)N1CC2(CCOCC2)CC[C@H]1C[NH3+] ZINC000584879934 344995679 /nfs/dbraw/zinc/99/56/79/344995679.db2.gz HZZIDHCAXCBQMD-LBPRGKRZSA-N 1 0 284.400 2.141 10 0 CEAERO OCC1(C[C@@H]2CO2)CC[NH+](Cc2ccccc2)CC1 ZINC000584882383 344996131 /nfs/dbraw/zinc/99/61/31/344996131.db2.gz FXTYRYNUUBIIFP-OAHLLOKOSA-N 1 0 261.365 2.050 10 0 CEAERO CC[NH2+]CC1CCN(c2nc3ccccc3[nH]2)CC1 ZINC000053664379 362498060 /nfs/dbraw/zinc/49/80/60/362498060.db2.gz PSAONAUEIGINGP-UHFFFAOYSA-N 1 0 258.369 2.389 10 0 CEAERO CC[NH+](CC)c1ccc(N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000054009850 362504491 /nfs/dbraw/zinc/50/44/91/362504491.db2.gz OVRDYJQFCJAHEO-ZDUSSCGKSA-N 1 0 282.409 2.132 10 0 CEAERO C[C@@H](NC(=O)CC(C)(C)[NH3+])c1cc(F)ccc1F ZINC000084165661 178811435 /nfs/dbraw/zinc/81/14/35/178811435.db2.gz GWFVZIDRHJMICU-MRVPVSSYSA-N 1 0 256.296 2.269 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)N1CCc2sccc2C1 ZINC000054305491 362525547 /nfs/dbraw/zinc/52/55/47/362525547.db2.gz MFELOUWGKKUYLX-LLVKDONJSA-N 1 0 264.394 2.023 10 0 CEAERO Cc1nc2cc(NC(=O)C[C@@H]3CCC[NH2+]C3)ccc2o1 ZINC000054308778 362526364 /nfs/dbraw/zinc/52/63/64/362526364.db2.gz MPWKKDDSSPBURN-NSHDSACASA-N 1 0 273.336 2.464 10 0 CEAERO Cc1nn(C)c(C[C@@H]([NH3+])CC(F)(F)F)c1Cl ZINC000084273767 178839258 /nfs/dbraw/zinc/83/92/58/178839258.db2.gz KCVWXVCKOMPSEC-ZCFIWIBFSA-N 1 0 255.671 2.204 10 0 CEAERO [NH3+]Cc1ccc(F)c(CS(=O)(=O)c2ccccc2)c1 ZINC000084267671 178835030 /nfs/dbraw/zinc/83/50/30/178835030.db2.gz QSAOFTDCVZBUAZ-UHFFFAOYSA-N 1 0 279.336 2.258 10 0 CEAERO COc1ccc(S(=O)(=O)[C@@H]2CCCCC[C@@H]2C[NH3+])cc1 ZINC000084268677 178836002 /nfs/dbraw/zinc/83/60/02/178836002.db2.gz IWDCDCZSKSKFCF-IUODEOHRSA-N 1 0 297.420 2.377 10 0 CEAERO CCCN[C@](C)(C[C@H](C)[N@H+](CC)CCC)C(=O)OC ZINC000084307568 178853321 /nfs/dbraw/zinc/85/33/21/178853321.db2.gz VTIMFBFVKSSPNB-DZGCQCFKSA-N 1 0 272.433 2.428 10 0 CEAERO CC[NH2+][C@H](C)C[C@H](C)S(=O)(=O)c1ccc(OC)cc1 ZINC000084356649 178867672 /nfs/dbraw/zinc/86/76/72/178867672.db2.gz WOIPLDHISJLBCH-NEPJUHHUSA-N 1 0 285.409 2.246 10 0 CEAERO Cc1cccc(CS(=O)(=O)[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000084357608 178867996 /nfs/dbraw/zinc/86/79/96/178867996.db2.gz SEVOZSXFILJRCT-NEPJUHHUSA-N 1 0 255.383 2.036 10 0 CEAERO CCOC(=O)c1cccnc1NCCC1CC[NH2+]CC1 ZINC000593233118 345456795 /nfs/dbraw/zinc/45/67/95/345456795.db2.gz JRWQSMKBKWGXKH-UHFFFAOYSA-N 1 0 277.368 2.060 10 0 CEAERO CCc1cc([C@@H]([NH3+])c2ccc3c(c2)OCCCO3)n(C)n1 ZINC000097122602 185539924 /nfs/dbraw/zinc/53/99/24/185539924.db2.gz DJMOWMYONAEIPR-INIZCTEOSA-N 1 0 287.363 2.192 10 0 CEAERO CS(=O)(=O)c1ccc(S[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000084436141 178888443 /nfs/dbraw/zinc/88/84/43/178888443.db2.gz IBOHLZGHGPXDOJ-GXSJLCMTSA-N 1 0 271.407 2.062 10 0 CEAERO COC[C@H](C)[NH2+]Cc1ccc(O)c(Br)c1 ZINC000057942678 362602706 /nfs/dbraw/zinc/60/27/06/362602706.db2.gz CBWJFYRMDKAIJD-QMMMGPOBSA-N 1 0 274.158 2.279 10 0 CEAERO CN(CC[N@H+](C)CCO)Cc1c(Cl)cccc1Cl ZINC000623091519 349935445 /nfs/dbraw/zinc/93/54/45/349935445.db2.gz GFYBLVBTIZUXOK-UHFFFAOYSA-N 1 0 291.222 2.349 10 0 CEAERO CCC[NH2+][C@H](CCCS(=O)(=O)CC)C[C@@H](C)COC ZINC000097217823 185566306 /nfs/dbraw/zinc/56/63/06/185566306.db2.gz AUBORCOWZJJIKQ-ZIAGYGMSSA-N 1 0 293.473 2.242 10 0 CEAERO C[NH2+][C@@H](Cc1ccn(C(C)C)n1)c1cnn(C)c1C ZINC000097225372 185567773 /nfs/dbraw/zinc/56/77/73/185567773.db2.gz GUIQBNNQFZBNGK-AWEZNQCLSA-N 1 0 261.373 2.009 10 0 CEAERO CC[NH2+][C@H](Cc1c(C)nn(C)c1C)Cc1ccccn1 ZINC000097272734 185575237 /nfs/dbraw/zinc/57/52/37/185575237.db2.gz ITWUROXYSNHQNM-HNNXBMFYSA-N 1 0 272.396 2.195 10 0 CEAERO CCC[NH2+][C@H](CCCOCC)Cc1ncnn1CCC ZINC000097282163 185579250 /nfs/dbraw/zinc/57/92/50/185579250.db2.gz ALZVOASPGABEKW-CQSZACIVSA-N 1 0 282.432 2.416 10 0 CEAERO CC[NH2+][C@H](COCC)c1cccc(OC)c1OC ZINC000097303791 185581010 /nfs/dbraw/zinc/58/10/10/185581010.db2.gz PZYVKDHPDDMURH-GFCCVEGCSA-N 1 0 253.342 2.391 10 0 CEAERO CCCOCC[C@H]([NH3+])Cc1nn(C)c2ccccc12 ZINC000097279300 185577938 /nfs/dbraw/zinc/57/79/38/185577938.db2.gz ACIRXCMGVUKBGA-LBPRGKRZSA-N 1 0 261.369 2.260 10 0 CEAERO CC[NH2+][C@@H](Cc1nccn1C)c1cccc(N(C)C)c1 ZINC000097310069 185583770 /nfs/dbraw/zinc/58/37/70/185583770.db2.gz UPMGBJLTCPZZAU-HNNXBMFYSA-N 1 0 272.396 2.379 10 0 CEAERO CCCCNC(=O)Cn1cc(C[NH2+]C)c2ccccc21 ZINC000084848305 178929616 /nfs/dbraw/zinc/92/96/16/178929616.db2.gz JTXRONOVPZYOKF-UHFFFAOYSA-N 1 0 273.380 2.277 10 0 CEAERO CCCCNC(=O)Cn1cc(C[NH3+])c2ccccc21 ZINC000084848170 178929646 /nfs/dbraw/zinc/92/96/46/178929646.db2.gz HZCDOKVYZUIEJZ-UHFFFAOYSA-N 1 0 259.353 2.016 10 0 CEAERO C[NH2+][C@@H](Cc1nc(C)c(C)s1)c1cc(C)nn1C ZINC000097342924 185587002 /nfs/dbraw/zinc/58/70/02/185587002.db2.gz GYWKLXJOLKKCMM-NSHDSACASA-N 1 0 264.398 2.305 10 0 CEAERO Cc1cc([C@@H]([NH3+])Cc2cn3ccsc3n2)c(C)nn1 ZINC000097349868 185588175 /nfs/dbraw/zinc/58/81/75/185588175.db2.gz BPPQZOHAJOUGNI-LBPRGKRZSA-N 1 0 273.365 2.045 10 0 CEAERO Cc1cncc([C@@H]([NH3+])Cn2cnc3ccccc32)c1 ZINC000097348212 185588196 /nfs/dbraw/zinc/58/81/96/185588196.db2.gz BTFCQJKTFOBJMQ-ZDUSSCGKSA-N 1 0 252.321 2.440 10 0 CEAERO CCC[NH2+][C@H](Cc1ccn(C)n1)c1cc(C)nnc1CC ZINC000097353585 185588283 /nfs/dbraw/zinc/58/82/83/185588283.db2.gz NZABRWWQHFVQSH-MRXNPFEDSA-N 1 0 287.411 2.364 10 0 CEAERO Cc1c([C@@H]([NH3+])c2c(F)ccc(C)c2F)cnn1C ZINC000097382212 185595169 /nfs/dbraw/zinc/59/51/69/185595169.db2.gz DSOJPMPIAFSORG-CYBMUJFWSA-N 1 0 251.280 2.363 10 0 CEAERO CCc1cc([C@H](Cc2cncs2)[NH2+]C)n(CC)n1 ZINC000097386430 185595518 /nfs/dbraw/zinc/59/55/18/185595518.db2.gz RIYFPNHZSSXFRS-LBPRGKRZSA-N 1 0 264.398 2.425 10 0 CEAERO C[C@H]1CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C[C@@H]1C ZINC000085055496 178944388 /nfs/dbraw/zinc/94/43/88/178944388.db2.gz PCQYEKUDBIGVNV-LPEHRKFASA-N 1 0 266.307 2.079 10 0 CEAERO COc1ccc(C)cc1[C@@H](C)NC(=O)CC(C)(C)[NH3+] ZINC000084166275 539499898 /nfs/dbraw/zinc/49/98/98/539499898.db2.gz HXRUJIPCCDDCAW-LLVKDONJSA-N 1 0 264.369 2.308 10 0 CEAERO COc1ccc(C[C@](C)(CCO)C(C)(C)[NH3+])cc1OC ZINC000097434586 185603228 /nfs/dbraw/zinc/60/32/28/185603228.db2.gz LWOXVDCOVUYIGK-INIZCTEOSA-N 1 0 281.396 2.372 10 0 CEAERO CCOCC[C@@H](Cc1cccc(OC)c1F)[NH2+]C ZINC000097415425 185599389 /nfs/dbraw/zinc/59/93/89/185599389.db2.gz LAJDJVKAFWPHAT-LBPRGKRZSA-N 1 0 255.333 2.391 10 0 CEAERO C[C@@H](CCO)C[NH2+]Cc1ccc(O)c(Br)c1 ZINC000085128555 178952900 /nfs/dbraw/zinc/95/29/00/178952900.db2.gz QILPLXKYEZSHBT-VIFPVBQESA-N 1 0 288.185 2.263 10 0 CEAERO CCCOc1ccc([C@@H](CC(=O)OC)[C@@H](C)[NH3+])cc1 ZINC000097431254 185601313 /nfs/dbraw/zinc/60/13/13/185601313.db2.gz RONBICBYYUPMCI-RISCZKNCSA-N 1 0 265.353 2.469 10 0 CEAERO CC[C@@H]1CCC[C@H](NC(=O)C2(C)CC[NH2+]CC2)C1 ZINC000085069289 178947325 /nfs/dbraw/zinc/94/73/25/178947325.db2.gz WRDANJWXRWSUCC-OLZOCXBDSA-N 1 0 252.402 2.461 10 0 CEAERO Cc1ccccc1SCC(=[NH2+])N1CCN(C)CC1 ZINC000097429832 185601575 /nfs/dbraw/zinc/60/15/75/185601575.db2.gz LBCUFQAFBHUIRI-UHFFFAOYSA-N 1 0 263.410 2.312 10 0 CEAERO CN1C[C@H]([NH2+][C@H]2CCCC[C@@H]2C(F)(F)F)CCC1=O ZINC000085134206 178955037 /nfs/dbraw/zinc/95/50/37/178955037.db2.gz JTNKKTSUKLRMBX-VWYCJHECSA-N 1 0 278.318 2.318 10 0 CEAERO CC[C@H](C)n1ccc(C[NH2+][C@H](CO)CC(C)C)n1 ZINC000085173535 178962695 /nfs/dbraw/zinc/96/26/95/178962695.db2.gz VOXXIDJZSVMHFJ-JSGCOSHPSA-N 1 0 253.390 2.351 10 0 CEAERO COc1cccc([C@H](C[NH3+])SC[C@H](C)CO)c1 ZINC000097459059 185610103 /nfs/dbraw/zinc/61/01/03/185610103.db2.gz GIBZUDXJLRWGLY-MFKMUULPSA-N 1 0 255.383 2.057 10 0 CEAERO CC[NH2+][C@H](COC)Cc1ccn(C(CC)CC)n1 ZINC000085182937 178966672 /nfs/dbraw/zinc/96/66/72/178966672.db2.gz SVEBNALBNFYYHD-ZDUSSCGKSA-N 1 0 253.390 2.411 10 0 CEAERO Cc1cc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C)cs1 ZINC000296396181 301418616 /nfs/dbraw/zinc/41/86/16/301418616.db2.gz KEBBUECVTBEMRQ-JBLDHEPKSA-N 1 0 252.383 2.374 10 0 CEAERO [NH3+][C@H](Cc1ccn(C2CCCC2)n1)C[C@@H]1CCCO1 ZINC000085182255 178965102 /nfs/dbraw/zinc/96/51/02/178965102.db2.gz UWNVAYLKHTYAPX-DOMZBBRYSA-N 1 0 263.385 2.437 10 0 CEAERO CCC[NH2+][C@@H](COC)Cc1ccn([C@@H](C)CC)n1 ZINC000085182947 178966092 /nfs/dbraw/zinc/96/60/92/178966092.db2.gz AXZGVPADCUNOAD-GXTWGEPZSA-N 1 0 253.390 2.411 10 0 CEAERO C[NH2+][C@@](C)(CO)CCCN(C)c1ccccc1F ZINC000085214784 178978658 /nfs/dbraw/zinc/97/86/58/178978658.db2.gz VMRJKFFDANHFON-CQSZACIVSA-N 1 0 254.349 2.013 10 0 CEAERO CCC[NH2+][C@](CO)(CN(C)C(C)(C)CC)C1CC1 ZINC000085212274 178974730 /nfs/dbraw/zinc/97/47/30/178974730.db2.gz HISBNYBKWVTHJB-HNNXBMFYSA-N 1 0 256.434 2.248 10 0 CEAERO CCC[NH2+][C@H](CO)CCN(C)c1ccc(CC)cc1 ZINC000085214831 178978638 /nfs/dbraw/zinc/97/86/38/178978638.db2.gz GPSAORRJEMLWLL-HNNXBMFYSA-N 1 0 264.413 2.436 10 0 CEAERO CC[NH2+][C@@H](CO)CCN(C)c1cc(C)cc(C)c1 ZINC000085215312 178979477 /nfs/dbraw/zinc/97/94/77/178979477.db2.gz NQICXHZVKDLLKN-CQSZACIVSA-N 1 0 250.386 2.100 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@@H](NN)c1ccncc1F ZINC000097583871 185630569 /nfs/dbraw/zinc/63/05/69/185630569.db2.gz CERPEGBCOCRPTR-KBPBESRZSA-N 1 0 268.380 2.236 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@@H](CC1CCOCC1)NN ZINC000097583630 185631350 /nfs/dbraw/zinc/63/13/50/185631350.db2.gz INUVYXADRNXPTR-HUUCEWRRSA-N 1 0 271.449 2.146 10 0 CEAERO CC(C)([C@H](Cc1ccncc1)NN)[NH+]1CCCCCC1 ZINC000097582682 185631628 /nfs/dbraw/zinc/63/16/28/185631628.db2.gz INWXXEJGMMFCLU-HNNXBMFYSA-N 1 0 276.428 2.111 10 0 CEAERO C[C@H](C[C@@](C)([NH3+])CO)Oc1cccc2cccnc21 ZINC000085282592 179000023 /nfs/dbraw/zinc/00/00/23/179000023.db2.gz XLHAGFULDZKBLD-IAQYHMDHSA-N 1 0 260.337 2.102 10 0 CEAERO C[C@H](C[C@](C)([NH3+])CO)Oc1cccc2cccnc21 ZINC000085282589 179000278 /nfs/dbraw/zinc/00/02/78/179000278.db2.gz XLHAGFULDZKBLD-ABAIWWIYSA-N 1 0 260.337 2.102 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)COc1ccc(F)cc1F ZINC000085283048 179000788 /nfs/dbraw/zinc/00/07/88/179000788.db2.gz KWRTTXSPMQOYNZ-CYBMUJFWSA-N 1 0 259.296 2.093 10 0 CEAERO [NH3+][C@](CO)(COc1ccccc1C(F)(F)F)C1CC1 ZINC000085282973 179001033 /nfs/dbraw/zinc/00/10/33/179001033.db2.gz DHDUZGMSAFRNOV-GFCCVEGCSA-N 1 0 275.270 2.184 10 0 CEAERO CCOc1ccc(O[C@H](C)C[C@](C)(CO)[NH2+]C)cc1 ZINC000085283349 179001731 /nfs/dbraw/zinc/00/17/31/179001731.db2.gz PBEAAZZWHWMEHQ-IUODEOHRSA-N 1 0 267.369 2.213 10 0 CEAERO CCC[NH2+][C@](C)(CO)CCn1cnc2ccccc21 ZINC000085263612 178994300 /nfs/dbraw/zinc/99/43/00/178994300.db2.gz KCDUMFVYANYMPO-HNNXBMFYSA-N 1 0 261.369 2.177 10 0 CEAERO CCC[NH2+][C@@](C)(CO)CCCOC[C@@H]1CCCCO1 ZINC000085269934 178997939 /nfs/dbraw/zinc/99/79/39/178997939.db2.gz YVJDNTVLOKOQFV-LSDHHAIUSA-N 1 0 273.417 2.103 10 0 CEAERO Cc1ccc(C)c(OCCC[C@](C)([NH3+])CO)c1C ZINC000085286223 179004253 /nfs/dbraw/zinc/00/42/53/179004253.db2.gz KURAXURCPYVCGX-HNNXBMFYSA-N 1 0 251.370 2.481 10 0 CEAERO CC[NH2+][C@@](CO)(CSCCCOC)c1ccccc1 ZINC000085289977 179006062 /nfs/dbraw/zinc/00/60/62/179006062.db2.gz BYYNNARRIOKTMC-HNNXBMFYSA-N 1 0 283.437 2.253 10 0 CEAERO CC(C)[NH2+][C@@](CO)(CSC1CCOCC1)C1CC1 ZINC000085290158 179006721 /nfs/dbraw/zinc/00/67/21/179006721.db2.gz GFNYQIVFAFNJQX-AWEZNQCLSA-N 1 0 273.442 2.038 10 0 CEAERO CC[NH2+][C@@H](CO)CCSc1nc2ccccc2o1 ZINC000085292344 179007889 /nfs/dbraw/zinc/00/78/89/179007889.db2.gz ROWIVTZJRVOKDS-SNVBAGLBSA-N 1 0 266.366 2.280 10 0 CEAERO CCC[NH2+][C@](C)(CO)C[C@H](C)Sc1ncccn1 ZINC000085292826 179008232 /nfs/dbraw/zinc/00/82/32/179008232.db2.gz XQPNLPSCVHHRMA-AAEUAGOBSA-N 1 0 269.414 2.098 10 0 CEAERO CC(C)[NH2+][C@@H](CO)CSc1cc(F)ccc1F ZINC000085293080 179008490 /nfs/dbraw/zinc/00/84/90/179008490.db2.gz YAZFCGAPPVNYBO-JTQLQIEISA-N 1 0 261.337 2.416 10 0 CEAERO CC[NH2+][C@H](CO)CCSc1ncnc2ccccc21 ZINC000085297208 179008537 /nfs/dbraw/zinc/00/85/37/179008537.db2.gz XXWVWYFORGEOAN-NSHDSACASA-N 1 0 277.393 2.082 10 0 CEAERO [NH3+][C@](CO)(CSCc1ccco1)c1ccccc1 ZINC000085297921 179009165 /nfs/dbraw/zinc/00/91/65/179009165.db2.gz ONFXKCQOVLIMOZ-CQSZACIVSA-N 1 0 263.362 2.359 10 0 CEAERO Cc1cccc(OC[C@@](CO)([NH2+]C2CC2)C2CC2)c1 ZINC000085284934 179002961 /nfs/dbraw/zinc/00/29/61/179002961.db2.gz XCKSELQAYNECMR-MRXNPFEDSA-N 1 0 261.365 2.267 10 0 CEAERO CC(C)C[N@H+](C[C@](O)(CN)c1ccccc1)C(C)C ZINC000085301517 179010631 /nfs/dbraw/zinc/01/06/31/179010631.db2.gz WXYAVPRRMMUPJL-MRXNPFEDSA-N 1 0 264.413 2.199 10 0 CEAERO [NH3+]C[C@](O)(COc1ccc(F)cc1)c1ccccc1 ZINC000085307060 179012472 /nfs/dbraw/zinc/01/24/72/179012472.db2.gz MNXINOFKNUXAGG-HNNXBMFYSA-N 1 0 261.296 2.051 10 0 CEAERO [NH3+]C[C@@](O)(COc1cccc(F)c1)c1ccccc1 ZINC000085307111 179012629 /nfs/dbraw/zinc/01/26/29/179012629.db2.gz SEMYVGUWAFKGLX-OAHLLOKOSA-N 1 0 261.296 2.051 10 0 CEAERO Cc1ccc(C)c(SC[C@@](O)(C[NH3+])C2CC2)c1 ZINC000085308689 179013148 /nfs/dbraw/zinc/01/31/48/179013148.db2.gz QKWXIOUFXUNDJL-AWEZNQCLSA-N 1 0 251.395 2.495 10 0 CEAERO C[C@H]([NH3+])CSCc1noc(-c2cccs2)n1 ZINC000085314083 179014072 /nfs/dbraw/zinc/01/40/72/179014072.db2.gz OMBQPAVYCNATDP-ZETCQYMHSA-N 1 0 255.368 2.379 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000085355405 179030274 /nfs/dbraw/zinc/03/02/74/179030274.db2.gz NEVXBKULGNHGFB-FUDOWXGNSA-N 1 0 262.397 2.199 10 0 CEAERO CSc1ccc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000085355783 179030281 /nfs/dbraw/zinc/03/02/81/179030281.db2.gz HYAGZXKRTPYLKY-VXGBXAGGSA-N 1 0 250.367 2.474 10 0 CEAERO COc1cc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])c(OC)cc1Cl ZINC000085355679 179030326 /nfs/dbraw/zinc/03/03/26/179030326.db2.gz NCOHZACPBGAPNX-PSASIEDQSA-N 1 0 298.770 2.423 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)NCc1ccccc1Cl ZINC000085355968 179030330 /nfs/dbraw/zinc/03/03/30/179030330.db2.gz VQQRGQKMTLXVIM-DGCLKSJQSA-N 1 0 266.772 2.474 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1c1ccncc1 ZINC000085358844 179031283 /nfs/dbraw/zinc/03/12/83/179031283.db2.gz YRUYNHATEPSRSO-SOUVJXGZSA-N 1 0 273.380 2.263 10 0 CEAERO CC(C)[C@@H](C)NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000085358492 179031428 /nfs/dbraw/zinc/03/14/28/179031428.db2.gz PNHUEMARYIJJBK-NEPJUHHUSA-N 1 0 257.422 2.306 10 0 CEAERO CN(C)c1c(Cl)cccc1NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085359612 179031719 /nfs/dbraw/zinc/03/17/19/179031719.db2.gz NUDQOPGEMSRELY-KOLCDFICSA-N 1 0 281.787 2.472 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)N[C@@H]1CCc2ccccc21 ZINC000085359156 179031770 /nfs/dbraw/zinc/03/17/70/179031770.db2.gz JNKGQIDDMUTEFC-QLFBSQMISA-N 1 0 258.365 2.308 10 0 CEAERO COc1c(C)ccc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])c1C ZINC000085359552 179031787 /nfs/dbraw/zinc/03/17/87/179031787.db2.gz KMSHQDMFBSIIJN-RYUDHWBXSA-N 1 0 262.353 2.378 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])c1cc(F)ccc1F ZINC000085360048 179032652 /nfs/dbraw/zinc/03/26/52/179032652.db2.gz FOWQYZZADCCDIC-PLMOITTCSA-N 1 0 268.307 2.269 10 0 CEAERO CSc1ccccc1NC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085360864 179033070 /nfs/dbraw/zinc/03/30/70/179033070.db2.gz REUMQEUJROHWCR-NXEZZACHSA-N 1 0 250.367 2.474 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000085362902 179034156 /nfs/dbraw/zinc/03/41/56/179034156.db2.gz RCZXGSKGPWNRQH-CYNAHEBQSA-N 1 0 276.424 2.445 10 0 CEAERO COc1ccc(OC)c([C@@H](C)NC(=O)[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000085363049 179034507 /nfs/dbraw/zinc/03/45/07/179034507.db2.gz BRDRCPNUBVOWSE-OSMZGAPFSA-N 1 0 292.379 2.008 10 0 CEAERO COc1ccc(OC)c([C@H](C)NC(=O)[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000085363047 179034602 /nfs/dbraw/zinc/03/46/02/179034602.db2.gz BRDRCPNUBVOWSE-JKOKRWQUSA-N 1 0 292.379 2.008 10 0 CEAERO COC(=O)c1ccc(NC(=O)[C@H]2CCCC[C@H]2[NH3+])c(C)c1 ZINC000085364455 179035426 /nfs/dbraw/zinc/03/54/26/179035426.db2.gz BSRXXZGWPBNPJC-QWHCGFSZSA-N 1 0 290.363 2.238 10 0 CEAERO COc1ccc([C@@H]2CCCN2C(=O)[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000085366794 179036914 /nfs/dbraw/zinc/03/69/14/179036914.db2.gz UHLAATKJSJGLRR-JYJNAYRXSA-N 1 0 288.391 2.486 10 0 CEAERO CCN(Cc1ccc(OC)c(F)c1)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085367000 179037071 /nfs/dbraw/zinc/03/70/71/179037071.db2.gz VBQVRNMSZBQPJV-JSGCOSHPSA-N 1 0 294.370 2.310 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)N(Cc1cccc(O)c1)C1CC1 ZINC000085369292 179039041 /nfs/dbraw/zinc/03/90/41/179039041.db2.gz ABQOIYAYHIWKDY-CVEARBPZSA-N 1 0 288.391 2.401 10 0 CEAERO CCC(=O)Nc1cccc(NC(=O)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000085370839 179040710 /nfs/dbraw/zinc/04/07/10/179040710.db2.gz MVKBKISEBDZZHQ-UONOGXRCSA-N 1 0 289.379 2.491 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1cccc(-c2nnco2)c1 ZINC000085370997 179041178 /nfs/dbraw/zinc/04/11/78/179041178.db2.gz VZAMANNXGBIGDM-STQMWFEESA-N 1 0 286.335 2.193 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)Nc1nc(C2CC2)cs1 ZINC000085372574 179042059 /nfs/dbraw/zinc/04/20/59/179042059.db2.gz BCTOPZLXVAMGSW-VHSXEESVSA-N 1 0 265.382 2.477 10 0 CEAERO C[C@@H](Cc1ccsc1)NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085372531 179042230 /nfs/dbraw/zinc/04/22/30/179042230.db2.gz XWWRQRSNWJFAGL-DRZSPHRISA-N 1 0 266.410 2.313 10 0 CEAERO COc1cc(F)ccc1NC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085372753 179042298 /nfs/dbraw/zinc/04/22/98/179042298.db2.gz NMOWIJCVXMOFGL-WDEREUQCSA-N 1 0 266.316 2.290 10 0 CEAERO Cc1cc([C@H](C)NC(=O)[C@H]2CCC[C@@H]2[NH3+])c(C)o1 ZINC000085373222 179042638 /nfs/dbraw/zinc/04/26/38/179042638.db2.gz VELSDGMUIZXOAY-GAFUQQFSSA-N 1 0 250.342 2.201 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C1CCCC1 ZINC000085373300 179042702 /nfs/dbraw/zinc/04/27/02/179042702.db2.gz LGXSIUUZSMVEKO-MELADBBJSA-N 1 0 250.386 2.295 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)N1CCC2(CCCC2)CC1 ZINC000085375064 179043413 /nfs/dbraw/zinc/04/34/13/179043413.db2.gz DBCPPNPVPNKOEV-OLZOCXBDSA-N 1 0 250.386 2.297 10 0 CEAERO CC(C)CO[C@H]1C[C@@H]([NH2+][C@@H](C)CN2CCOCC2)C1(C)C ZINC000085400357 179051523 /nfs/dbraw/zinc/05/15/23/179051523.db2.gz RIZKAHFJFNRXFG-XHSDSOJGSA-N 1 0 298.471 2.136 10 0 CEAERO C[NH2+][C@@H](Cc1cc(F)ccc1C)C1(OC)CCOCC1 ZINC000097854629 185673331 /nfs/dbraw/zinc/67/33/31/185673331.db2.gz MKWAQCLNSMXDJR-HNNXBMFYSA-N 1 0 281.371 2.460 10 0 CEAERO c1ccc(CO[C@H]2COCC[N@@H+](C3CCOCC3)C2)cc1 ZINC000085436028 179063106 /nfs/dbraw/zinc/06/31/06/179063106.db2.gz RLGNTRGMFKSSSW-QGZVFWFLSA-N 1 0 291.391 2.083 10 0 CEAERO CC(C)[C@H]1C[N@H+](C[C@@H]2CCOC2)C2(CCCC2)CN1 ZINC000085468408 179073089 /nfs/dbraw/zinc/07/30/89/179073089.db2.gz YCHXOWLRDRVKCB-LSDHHAIUSA-N 1 0 266.429 2.266 10 0 CEAERO COCC[N@@H+]1C[C@H](C(C)C)NCC12CCCCC2 ZINC000085468459 179073621 /nfs/dbraw/zinc/07/36/21/179073621.db2.gz BTDJIOAFBADXPR-CQSZACIVSA-N 1 0 254.418 2.266 10 0 CEAERO CC(C)n1ccc(CN2CC(C)(C)[NH2+]C[C@H]2C)n1 ZINC000085468945 179073996 /nfs/dbraw/zinc/07/39/96/179073996.db2.gz BXGQIBUHMPCTHP-GFCCVEGCSA-N 1 0 250.390 2.036 10 0 CEAERO CCC[C@H]1CNC(C)(C)C[N@@H+]1C[C@@H]1CCCCO1 ZINC000085469605 179074431 /nfs/dbraw/zinc/07/44/31/179074431.db2.gz JUPDQBVIKZASNL-KBPBESRZSA-N 1 0 254.418 2.408 10 0 CEAERO CC[C@]1(C)C[NH2+][C@@H](C)CN1CCOCC(F)(F)F ZINC000085454104 179066771 /nfs/dbraw/zinc/06/67/71/179066771.db2.gz SAOJNQRMIXQNCA-WDEREUQCSA-N 1 0 268.323 2.028 10 0 CEAERO CC(C)[C@@H]1CN[C@H](C)C[N@@H+]1CCCOCC(F)(F)F ZINC000085453642 179066919 /nfs/dbraw/zinc/06/69/19/179066919.db2.gz FNNMYPATCWFSPJ-NEPJUHHUSA-N 1 0 282.350 2.274 10 0 CEAERO CCC1(CC)CN[C@H](C)C[N@@H+]1C[C@@H]1CCCCO1 ZINC000085454318 179067014 /nfs/dbraw/zinc/06/70/14/179067014.db2.gz LBXHNJNNZGKNFW-KGLIPLIRSA-N 1 0 254.418 2.408 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C)CN1Cc1ccc(OC)c(F)c1 ZINC000085453353 179067153 /nfs/dbraw/zinc/06/71/53/179067153.db2.gz ARYQQXHBDHJLFM-AAEUAGOBSA-N 1 0 266.360 2.407 10 0 CEAERO CCC[C@H]1C[N@H+](C[C@@H]2CCOC2)[C@@H](CCC)CN1 ZINC000085455163 179067674 /nfs/dbraw/zinc/06/76/74/179067674.db2.gz ZKQNOZOHLSEDJJ-KKUMJFAQSA-N 1 0 254.418 2.266 10 0 CEAERO C[C@H]1C[N@H+](C[C@@H]2CCCO2)[C@H](C2CCCCC2)CN1 ZINC000085454587 179068077 /nfs/dbraw/zinc/06/80/77/179068077.db2.gz LDQXEWKKGUFGRN-BPUTZDHNSA-N 1 0 266.429 2.408 10 0 CEAERO CCC[C@@H]1CN(CCn2ccnc2C)C(C)(C)C[NH2+]1 ZINC000085455512 179068187 /nfs/dbraw/zinc/06/81/87/179068187.db2.gz SIAIFAVOQSWRGL-CQSZACIVSA-N 1 0 264.417 2.044 10 0 CEAERO CC[C@H]1C[N@H+](C[C@@H]2CCOC2)C(CC)(CC)CN1 ZINC000085474749 179078821 /nfs/dbraw/zinc/07/88/21/179078821.db2.gz VCEWWCRLMFFHAS-KBPBESRZSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@]1(C)CN(Cc2cnn(C)c2)[C@H](C(C)C)C[NH2+]1 ZINC000085495456 179082064 /nfs/dbraw/zinc/08/20/64/179082064.db2.gz DLFRTSDFSYPVDH-LSDHHAIUSA-N 1 0 264.417 2.019 10 0 CEAERO CC(C)(C)[C@H]1CN(C[C@@H]2CCCO2)C(C)(C)C[NH2+]1 ZINC000085486252 179080151 /nfs/dbraw/zinc/08/01/51/179080151.db2.gz NZWBFGYMQDEBPR-QWHCGFSZSA-N 1 0 254.418 2.264 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1CNc1ncncc1Br ZINC000085480800 179080360 /nfs/dbraw/zinc/08/03/60/179080360.db2.gz IMKWUXZVIIKKMB-SCZZXKLOSA-N 1 0 285.189 2.169 10 0 CEAERO CC[C@@]1(C)C[N@H+](C[C@@H]2CCOC2)[C@H](C(C)C)CN1 ZINC000085495433 179081805 /nfs/dbraw/zinc/08/18/05/179081805.db2.gz JCMQVPZIIMNFRO-KKUMJFAQSA-N 1 0 254.418 2.121 10 0 CEAERO CCC1(CC)CNC(C)(C)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085471358 179075873 /nfs/dbraw/zinc/07/58/73/179075873.db2.gz KHQZKKIJLQHITO-ZDUSSCGKSA-N 1 0 254.418 2.408 10 0 CEAERO CC1(C)CN(Cc2ccncc2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085471645 179076209 /nfs/dbraw/zinc/07/62/09/179076209.db2.gz NLGOPBOXWAWKTP-MRXNPFEDSA-N 1 0 259.397 2.434 10 0 CEAERO CC[C@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1cccnc1 ZINC000085510972 179085253 /nfs/dbraw/zinc/08/52/53/179085253.db2.gz CRQAAOQEGJGJIF-JKSUJKDBSA-N 1 0 259.397 2.434 10 0 CEAERO CC[C@H](C)[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1cnn(C)c1 ZINC000085513022 179086418 /nfs/dbraw/zinc/08/64/18/179086418.db2.gz LBMWIHHJCSQMTM-RRQGHBQHSA-N 1 0 290.455 2.409 10 0 CEAERO C[C@@]1(C2CC2)C[N@H+](C[C@@H]2CCOC2)[C@](C)(C2CC2)CN1 ZINC000085516420 179087437 /nfs/dbraw/zinc/08/74/37/179087437.db2.gz FOZBWUDRTKOFEF-JQFCIGGWSA-N 1 0 278.440 2.266 10 0 CEAERO COc1cccc(CN2C[C@@H](C3CC3)[NH2+]C[C@@H]2C)c1 ZINC000085521125 179087459 /nfs/dbraw/zinc/08/74/59/179087459.db2.gz SWBMIMSFMMQUTP-LRDDRELGSA-N 1 0 260.381 2.268 10 0 CEAERO CCC1(CC)CN(Cc2cccc(OC)n2)[C@@H](C)C[NH2+]1 ZINC000085516836 179088130 /nfs/dbraw/zinc/08/81/30/179088130.db2.gz BDFCERIAVHMGJV-ZDUSSCGKSA-N 1 0 277.412 2.443 10 0 CEAERO CCC[C@H]1C[NH2+][C@H](C2CC2)CN1CCOC(C)C ZINC000085523151 179088445 /nfs/dbraw/zinc/08/84/45/179088445.db2.gz ZUWLCBRTQYRMPB-GJZGRUSLSA-N 1 0 254.418 2.264 10 0 CEAERO CCC[C@H]1C[NH2+][C@@H](C2CC2)CN1CCOC(C)C ZINC000085523158 179088572 /nfs/dbraw/zinc/08/85/72/179088572.db2.gz ZUWLCBRTQYRMPB-LSDHHAIUSA-N 1 0 254.418 2.264 10 0 CEAERO Cc1nccn1CCN1C[C@H](c2ccccc2)[NH2+]C[C@@H]1C ZINC000085504548 179084053 /nfs/dbraw/zinc/08/40/53/179084053.db2.gz LWVUIKVDXCUNKJ-WMLDXEAASA-N 1 0 284.407 2.227 10 0 CEAERO CC(C)(C)c1nc2c(n1[C@@H]1CCCOC1)CC[NH2+]C2 ZINC000085571728 179097743 /nfs/dbraw/zinc/09/77/43/179097743.db2.gz CCBDFJMSQHREPG-LLVKDONJSA-N 1 0 263.385 2.178 10 0 CEAERO CC(C)C[C@H]1C[NH2+][C@@H](C2CC2)CN1Cc1cnn(C)c1 ZINC000085526076 179089115 /nfs/dbraw/zinc/08/91/15/179089115.db2.gz BVWQAKUSIGFYGH-JKSUJKDBSA-N 1 0 276.428 2.019 10 0 CEAERO CC(C)(C)[C@@H]1CN[C@H](C2CC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085527010 179089129 /nfs/dbraw/zinc/08/91/29/179089129.db2.gz UEYIPJKLPVJXMK-QEJZJMRPSA-N 1 0 266.429 2.121 10 0 CEAERO CC(C)[C@H]1C[NH2+][C@H](C2CC2)CN1Cc1cccnc1 ZINC000085524737 179089875 /nfs/dbraw/zinc/08/98/75/179089875.db2.gz ZVRFOVBUPOMIJC-JKSUJKDBSA-N 1 0 259.397 2.290 10 0 CEAERO CC1(C)C[NH2+][C@H](C2CC2)CN1CCC(F)(F)F ZINC000085527833 179090464 /nfs/dbraw/zinc/09/04/64/179090464.db2.gz KJTXLVQLVLCIMD-JTQLQIEISA-N 1 0 250.308 2.401 10 0 CEAERO COCCN1C[C@H](C2CC2)[NH2+]C[C@@]1(C)c1ccccc1 ZINC000085529569 179091426 /nfs/dbraw/zinc/09/14/26/179091426.db2.gz UQDDUBCQJNLCJQ-SJORKVTESA-N 1 0 274.408 2.232 10 0 CEAERO C[C@H]1CN[C@@](C)(c2ccccc2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085531798 179091557 /nfs/dbraw/zinc/09/15/57/179091557.db2.gz DKYVOTKKDLCDIM-YQQAZPJKSA-N 1 0 274.408 2.232 10 0 CEAERO C[C@H]1C[NH2+][C@@](C)(c2ccccc2)CN1Cc1ncccn1 ZINC000085531673 179091590 /nfs/dbraw/zinc/09/15/90/179091590.db2.gz FYJZHOHBBUBGCQ-WMLDXEAASA-N 1 0 282.391 2.186 10 0 CEAERO CC[NH2+][C@@](C)(C[C@H](C)Oc1cc(C)ccc1F)C(N)=O ZINC000085560546 179094250 /nfs/dbraw/zinc/09/42/50/179094250.db2.gz PVULUMOJMYFWJD-NHYWBVRUSA-N 1 0 282.359 2.145 10 0 CEAERO Cc1ccc(F)c(OC[C@](O)(C[NH3+])c2ccccc2)c1 ZINC000085565308 179095178 /nfs/dbraw/zinc/09/51/78/179095178.db2.gz DNCLZTCRQBKSHN-MRXNPFEDSA-N 1 0 275.323 2.359 10 0 CEAERO OC1CCC(n2c3c(nc2C(F)(F)F)C[NH2+]CC3)CC1 ZINC000085569084 179096057 /nfs/dbraw/zinc/09/60/57/179096057.db2.gz HMKYFOSSOAQNPE-UHFFFAOYSA-N 1 0 289.301 2.024 10 0 CEAERO C[C@H]1CC[NH2+][C@@H](C(C)(C)C)CN1Cc1ncccn1 ZINC000085624251 179106579 /nfs/dbraw/zinc/10/65/79/179106579.db2.gz XSGJQDUVSOYTFV-QWHCGFSZSA-N 1 0 262.401 2.075 10 0 CEAERO CC(C)c1nc2c(n1[C@H](C)Cn1cccn1)CC[NH2+]C2 ZINC000085574345 179099394 /nfs/dbraw/zinc/09/93/94/179099394.db2.gz DOTWKXYKEQGKGI-GFCCVEGCSA-N 1 0 273.384 2.110 10 0 CEAERO CC1CCC(CNC(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000063146422 362752236 /nfs/dbraw/zinc/75/22/36/362752236.db2.gz VSUUVYMXLDQEPS-JXQTWKCFSA-N 1 0 252.402 2.319 10 0 CEAERO CO[C@H]1CCC[C@@H]([N@@H+]2CCCN[C@](C)(C3CC3)C2)C1 ZINC000085613203 179103306 /nfs/dbraw/zinc/10/33/06/179103306.db2.gz NHEXWARKAKANKG-PMPSAXMXSA-N 1 0 266.429 2.408 10 0 CEAERO C[C@@H]1CCN[C@@H](c2ccccc2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085621558 179105234 /nfs/dbraw/zinc/10/52/34/179105234.db2.gz IJMUQSGAVUVSRX-HLLBOEOZSA-N 1 0 274.408 2.448 10 0 CEAERO C[C@@H]1CC[NH2+][C@@H](c2ccccc2)CN1Cc1cnn(C)c1 ZINC000085621607 179106102 /nfs/dbraw/zinc/10/61/02/179106102.db2.gz VPAXWWWYBPROPD-RHSMWYFYSA-N 1 0 284.407 2.345 10 0 CEAERO C[C@H]1CC[NH2+][C@@](C)(C2CC2)CN1Cc1cccnc1 ZINC000085623947 179106509 /nfs/dbraw/zinc/10/65/09/179106509.db2.gz IFZUEWFNKWXDSI-XJKSGUPXSA-N 1 0 259.397 2.434 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+][C@@H](C)CN2CCCC2=O)C12CCCC2 ZINC000085680142 179113087 /nfs/dbraw/zinc/11/30/87/179113087.db2.gz UAUZXECZVRFYHL-ZNMIVQPWSA-N 1 0 294.439 2.325 10 0 CEAERO COCC[NH2+]CCc1ccc(OC)c(OC)c1Cl ZINC000085697081 179115992 /nfs/dbraw/zinc/11/59/92/179115992.db2.gz YMMMHZXPXLZOBC-UHFFFAOYSA-N 1 0 273.760 2.136 10 0 CEAERO CC[C@@](C)([C@H](O)Cc1ccccc1)[NH+]1CCOCC1 ZINC000085749887 179142067 /nfs/dbraw/zinc/14/20/67/179142067.db2.gz UDRFTXDOZMXXQB-CVEARBPZSA-N 1 0 263.381 2.091 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@@H](C)Cc1cc(C)cc(C)c1 ZINC000236900941 370649250 /nfs/dbraw/zinc/64/92/50/370649250.db2.gz FVWBUIVBULMTRD-ZFWWWQNUSA-N 1 0 262.397 2.478 10 0 CEAERO [NH3+]CC1CCN(c2cccc(C(F)(F)F)n2)CC1 ZINC000044514912 136698502 /nfs/dbraw/zinc/69/85/02/136698502.db2.gz GIPDFDANJCUKCP-UHFFFAOYSA-N 1 0 259.275 2.276 10 0 CEAERO CCCOc1ccc(NC(=O)[C@@]2([NH3+])CCOC2)cc1Cl ZINC000085874613 179193900 /nfs/dbraw/zinc/19/39/00/179193900.db2.gz IUGDBKJCQAEETH-CQSZACIVSA-N 1 0 298.770 2.185 10 0 CEAERO C[C@H](C[NH3+])[C@]1(O)CCc2cc(Br)ccc2C1 ZINC000085902283 179196229 /nfs/dbraw/zinc/19/62/29/179196229.db2.gz BBHWGVIAXKLORN-RNCFNFMXSA-N 1 0 284.197 2.264 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1CNC(=O)c1ccc(F)cc1F ZINC000085967637 179206115 /nfs/dbraw/zinc/20/61/15/179206115.db2.gz CNTCZISYGQQQCJ-ZANVPECISA-N 1 0 268.307 2.212 10 0 CEAERO C[C@@H]([NH3+])[C@@H](CO)Oc1ccc(Cc2ccccc2)cc1 ZINC000085919630 179199726 /nfs/dbraw/zinc/19/97/26/179199726.db2.gz MFKVXYQAGUWOSK-CXAGYDPISA-N 1 0 271.360 2.364 10 0 CEAERO CCN[C@H](CCO)C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000085922550 179201427 /nfs/dbraw/zinc/20/14/27/179201427.db2.gz KXLKXLIQHPCRJC-HUUCEWRRSA-N 1 0 254.418 2.002 10 0 CEAERO CCC[NH2+][C@H](CCO)COc1cc(F)cc(F)c1 ZINC000085927186 179201899 /nfs/dbraw/zinc/20/18/99/179201899.db2.gz KZSBTSBUNYFOAM-GFCCVEGCSA-N 1 0 259.296 2.094 10 0 CEAERO C[NH2+][C@H](CCO)C[S@@](=O)c1ccc(C(C)(C)C)cc1 ZINC000085927484 179202063 /nfs/dbraw/zinc/20/20/63/179202063.db2.gz WQEIBJLMGDZVDY-YJYMSZOUSA-N 1 0 283.437 2.062 10 0 CEAERO CC[NH2+][C@@H](CCO)COc1cccc2ccc(C)nc21 ZINC000085926288 179202092 /nfs/dbraw/zinc/20/20/92/179202092.db2.gz UPMONNZKPLCXMY-AWEZNQCLSA-N 1 0 274.364 2.283 10 0 CEAERO C[C@@H](O)CC[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000086014534 179215172 /nfs/dbraw/zinc/21/51/72/179215172.db2.gz WDLVBFATCWILDH-BXKDBHETSA-N 1 0 277.286 2.099 10 0 CEAERO Cc1[nH+]c2cc(N)ccc2n1C[C@H]1CCCC[C@@H]1O ZINC000086017971 179217380 /nfs/dbraw/zinc/21/73/80/179217380.db2.gz UMGSUKWWLODEQB-ABAIWWIYSA-N 1 0 259.353 2.478 10 0 CEAERO CC(C)(C)[C@@H](CC[NH3+])CCC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000085987096 179212002 /nfs/dbraw/zinc/21/20/02/179212002.db2.gz NVCZTBPTMBTUKD-ZNMIVQPWSA-N 1 0 298.471 2.445 10 0 CEAERO Cc1ccc(NC(=O)C[NH2+]C[C@@H]2CCCC[C@@H]2O)cc1 ZINC000085986639 179212281 /nfs/dbraw/zinc/21/22/81/179212281.db2.gz SDNPEKRRBDMOFV-ZFWWWQNUSA-N 1 0 276.380 2.074 10 0 CEAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1nnc(-c2ccccc2)o1 ZINC000085988038 179212861 /nfs/dbraw/zinc/21/28/61/179212861.db2.gz VJMJSVRTEJBTGY-KBPBESRZSA-N 1 0 287.363 2.377 10 0 CEAERO CCC[NH2+][C@H]1CC[C@@H](SCCC(=O)OC)[C@@H]1C ZINC000086043996 179223133 /nfs/dbraw/zinc/22/31/33/179223133.db2.gz RCJZACWFWRLREK-GRYCIOLGSA-N 1 0 259.415 2.449 10 0 CEAERO C[C@@H]1[C@@H](C)CC[C@@H]1[NH2+]Cc1ccc(OCC(N)=O)cc1 ZINC000086070441 179224300 /nfs/dbraw/zinc/22/43/00/179224300.db2.gz 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/nfs/dbraw/zinc/22/96/79/179229679.db2.gz GQQBDFLJSUAASM-UHFFFAOYSA-N 1 0 251.380 2.428 10 0 CEAERO CC[C@@]1(C)CN(CCc2cccc(F)c2)CC[NH2+]1 ZINC000086128057 179235752 /nfs/dbraw/zinc/23/57/52/179235752.db2.gz VTYWZJDMTZXZIF-HNNXBMFYSA-N 1 0 250.361 2.442 10 0 CEAERO c1ccc([C@@H]2C[N@H+](CCc3cccnc3)CCN2)cc1 ZINC000086141951 179237082 /nfs/dbraw/zinc/23/70/82/179237082.db2.gz CNLGCVDDWZHIPP-KRWDZBQOSA-N 1 0 267.376 2.271 10 0 CEAERO C[C@@H](Cc1ccsc1)N1CC[NH2+][C@H](C2CC2)C1 ZINC000086143010 179238081 /nfs/dbraw/zinc/23/80/81/179238081.db2.gz HZFXHXUHYFBJSL-FZMZJTMJSA-N 1 0 250.411 2.363 10 0 CEAERO CC[C@H]1CC[C@@H]([NH2+][C@@H]2CC(=O)N(C3CCCC3)C2=O)[C@@H]1C ZINC000086093833 179228773 /nfs/dbraw/zinc/22/87/73/179228773.db2.gz UZYJMOLYWPPMGE-AYRXBEOTSA-N 1 0 292.423 2.471 10 0 CEAERO CC[C@H](C)[C@@H]1CN(CCc2nccs2)CC[NH2+]1 ZINC000086148892 179239920 /nfs/dbraw/zinc/23/99/20/179239920.db2.gz OSLSUZILFVDHEZ-RYUDHWBXSA-N 1 0 253.415 2.006 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(CCc2nccs2)CC[NH2+]1 ZINC000086148890 179239978 /nfs/dbraw/zinc/23/99/78/179239978.db2.gz OSLSUZILFVDHEZ-NEPJUHHUSA-N 1 0 253.415 2.006 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C)CN1CCOC1CCCCC1 ZINC000086175851 179245653 /nfs/dbraw/zinc/24/56/53/179245653.db2.gz YUWNECBETUXRKW-KGLIPLIRSA-N 1 0 254.418 2.408 10 0 CEAERO COc1ccc(CCN2C[C@@H](C3CC3)[NH2+]C[C@@H]2C)cc1 ZINC000086179141 179246746 /nfs/dbraw/zinc/24/67/46/179246746.db2.gz JMBDHLBJQNWIRB-GUYCJALGSA-N 1 0 274.408 2.310 10 0 CEAERO C([C@H]1CCCOC1)[N@@H+]1CCNC2(CCCCC2)C1 ZINC000086146242 179239010 /nfs/dbraw/zinc/23/90/10/179239010.db2.gz LELUEBBWCDNNEF-CQSZACIVSA-N 1 0 252.402 2.021 10 0 CEAERO CC(C)(C)[C@@H]1CN(C[C@@H]2Cc3ccccc3O2)CC[NH2+]1 ZINC000086146986 179239819 /nfs/dbraw/zinc/23/98/19/179239819.db2.gz IAKMPUKPJUPPBF-HOCLYGCPSA-N 1 0 274.408 2.310 10 0 CEAERO CC(C)C[C@H]1CN(c2cnn(C(C)C)c2)CC[NH2+]1 ZINC000086148304 179239823 /nfs/dbraw/zinc/23/98/23/179239823.db2.gz DRVFVGPQCQRQJN-ZDUSSCGKSA-N 1 0 250.390 2.288 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1c1cnn(C)c1 ZINC000086218380 179250080 /nfs/dbraw/zinc/25/00/80/179250080.db2.gz VODHQGQBNNAZPH-KBPBESRZSA-N 1 0 264.417 2.269 10 0 CEAERO C[C@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1nccs1 ZINC000086226823 179253215 /nfs/dbraw/zinc/25/32/15/179253215.db2.gz JWYBIDPQQAMLDM-GWCFXTLKSA-N 1 0 251.399 2.106 10 0 CEAERO CC[C@H]1C[NH2+][C@](C)(CC)CN1Cc1nccs1 ZINC000086226857 179253502 /nfs/dbraw/zinc/25/35/02/179253502.db2.gz DTKJKWWSNIUAPS-WCQYABFASA-N 1 0 253.415 2.496 10 0 CEAERO CC[C@H]1CN(Cc2cnc(C)s2)[C@@H](CC)C[NH2+]1 ZINC000086226775 179253598 /nfs/dbraw/zinc/25/35/98/179253598.db2.gz PTLYFPLKTNHONM-RYUDHWBXSA-N 1 0 253.415 2.414 10 0 CEAERO OC[C@H]1CCCC[C@@H]1[NH2+]Cc1[nH]nc2ccccc21 ZINC000606914247 347500380 /nfs/dbraw/zinc/50/03/80/347500380.db2.gz SIKQHKDYKGZQMB-YPMHNXCESA-N 1 0 259.353 2.204 10 0 CEAERO CN(c1nc(Br)cs1)[C@H]1CCC[NH2+]C1 ZINC000086290834 179265429 /nfs/dbraw/zinc/26/54/29/179265429.db2.gz NGSOLRWHDNOKDQ-ZETCQYMHSA-N 1 0 276.203 2.094 10 0 CEAERO [NH3+]CCC1CCN(c2nc(Br)cs2)CC1 ZINC000086290937 179265450 /nfs/dbraw/zinc/26/54/50/179265450.db2.gz YPRZIUFVNZSIAG-UHFFFAOYSA-N 1 0 290.230 2.471 10 0 CEAERO CC[C@H]1C[NH2+]C2(CCCCC2)CN1Cc1nc(C)no1 ZINC000086260308 179259436 /nfs/dbraw/zinc/25/94/36/179259436.db2.gz VKFFMNLTYRVPKS-ZDUSSCGKSA-N 1 0 278.400 2.265 10 0 CEAERO C[C@H]1C[NH2+][C@@H](C2CC2)CN1C[C@@H]1Cc2ccccc2O1 ZINC000086261710 179259802 /nfs/dbraw/zinc/25/98/02/179259802.db2.gz XEGNWGUZDQMXGL-VBNZEHGJSA-N 1 0 272.392 2.062 10 0 CEAERO CC[C@H]1CN[C@H](C(C)(C)C)C[N@@H+]1C[C@@H](C)COC ZINC000086260940 179259884 /nfs/dbraw/zinc/25/98/84/179259884.db2.gz ZMPSTLFIUHJFNN-RDBSUJKOSA-N 1 0 256.434 2.367 10 0 CEAERO CC[C@H]1C[NH2+]C2(CCCC2)CN1Cc1cc(C)no1 ZINC000086260408 179260262 /nfs/dbraw/zinc/26/02/62/179260262.db2.gz UTFPWFZMZWDUPJ-ZDUSSCGKSA-N 1 0 263.385 2.480 10 0 CEAERO CC(C)[C@@H]1C[NH2+]C(C)(C)CN1CCc1nccs1 ZINC000086264307 179260849 /nfs/dbraw/zinc/26/08/49/179260849.db2.gz NZJKXKVOHBDVFN-LBPRGKRZSA-N 1 0 267.442 2.394 10 0 CEAERO CC(C)[C@@H]1C[NH2+]C2(CCCC2)CN1Cc1nccn1C ZINC000086264887 179260960 /nfs/dbraw/zinc/26/09/60/179260960.db2.gz MOHNZKXTWXFEPY-AWEZNQCLSA-N 1 0 276.428 2.163 10 0 CEAERO CC(C)C[C@@H]1CN(Cc2nccn2C)[C@H](C(C)C)C[NH2+]1 ZINC000086264877 179261452 /nfs/dbraw/zinc/26/14/52/179261452.db2.gz XPZABXMKGFQHGG-CABCVRRESA-N 1 0 278.444 2.265 10 0 CEAERO CC[C@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1cscn1 ZINC000086265414 179261839 /nfs/dbraw/zinc/26/18/39/179261839.db2.gz QFDGJUIWBHAASM-UONOGXRCSA-N 1 0 265.426 2.496 10 0 CEAERO C[C@H]1C[NH2+][C@](C)(C2CC2)CN1CCc1cscn1 ZINC000086265544 179261861 /nfs/dbraw/zinc/26/18/61/179261861.db2.gz SWKGHSSMUXNGIF-FZMZJTMJSA-N 1 0 265.426 2.148 10 0 CEAERO C[C@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1cscn1 ZINC000086265426 179261917 /nfs/dbraw/zinc/26/19/17/179261917.db2.gz XPDBKTIAFGPYKU-GXFFZTMASA-N 1 0 251.399 2.106 10 0 CEAERO C[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1CCc1cscn1 ZINC000086265602 179261968 /nfs/dbraw/zinc/26/19/68/179261968.db2.gz VGENBVSHKUIGPB-WCQYABFASA-N 1 0 267.442 2.394 10 0 CEAERO CC(C)C[C@H]1CN(CCc2cscn2)[C@@H](C)C[NH2+]1 ZINC000086265586 179262535 /nfs/dbraw/zinc/26/25/35/179262535.db2.gz VGDMNSPGTQNLMA-JSGCOSHPSA-N 1 0 267.442 2.394 10 0 CEAERO CC1(C)CN(CCc2cccc(F)c2)CCC[NH2+]1 ZINC000086287237 179264242 /nfs/dbraw/zinc/26/42/42/179264242.db2.gz ASLBDXNWIKYCIU-UHFFFAOYSA-N 1 0 250.361 2.442 10 0 CEAERO C1CCC([C@H]2C[N@@H+](C3CCOCC3)CCCN2)CC1 ZINC000086287281 179264942 /nfs/dbraw/zinc/26/49/42/179264942.db2.gz KWVNIBQHEWPFQD-MRXNPFEDSA-N 1 0 266.429 2.410 10 0 CEAERO CC(C)C[C@@H]1CN(CC[C@@H]2CCCO2)[C@@H](C)C[NH2+]1 ZINC000086258866 179256521 /nfs/dbraw/zinc/25/65/21/179256521.db2.gz KSNFOESPNLSWJC-ZNMIVQPWSA-N 1 0 254.418 2.264 10 0 CEAERO C[C@@H]1CN[C@](C)(C2CC2)C[N@@H+]1CC[C@@H]1CCCO1 ZINC000086258793 179256677 /nfs/dbraw/zinc/25/66/77/179256677.db2.gz XUZDKINOIFZROK-SNPRPXQTSA-N 1 0 252.402 2.018 10 0 CEAERO Cc1cc(CN2CCC[NH2+][C@H](Cc3ccccc3)C2)on1 ZINC000086292709 179266339 /nfs/dbraw/zinc/26/63/39/179266339.db2.gz ZKLPEAYCEPRNTH-MRXNPFEDSA-N 1 0 285.391 2.390 10 0 CEAERO CC[C@H](C)[C@H]1C[N@H+](C[C@@H]2CCCOC2)CCCN1 ZINC000086292449 179266558 /nfs/dbraw/zinc/26/65/58/179266558.db2.gz VDNJSNHYBWMUKA-SOUVJXGZSA-N 1 0 254.418 2.123 10 0 CEAERO COc1ccc(CN2CCC[NH2+][C@H](C(C)(C)C)C2)cn1 ZINC000086296432 179267671 /nfs/dbraw/zinc/26/76/71/179267671.db2.gz IOCCIFBNHBZOGA-AWEZNQCLSA-N 1 0 277.412 2.300 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(CCc2cscn2)CCC[NH2+]1 ZINC000086297887 179267686 /nfs/dbraw/zinc/26/76/86/179267686.db2.gz NRTCFLXQFXJFJN-OCCSQVGLSA-N 1 0 267.442 2.396 10 0 CEAERO CC[C@@H]1CN(Cc2ccc(OC)cc2OC)CCC[NH2+]1 ZINC000086297664 179267711 /nfs/dbraw/zinc/26/77/11/179267711.db2.gz NHMBNGCCYGMSDB-CQSZACIVSA-N 1 0 278.396 2.278 10 0 CEAERO CCC[C@H]1CN(Cc2ccc3c(c2)OCO3)CCC[NH2+]1 ZINC000086295859 179267767 /nfs/dbraw/zinc/26/77/67/179267767.db2.gz RJMWMIIPHWUUSI-AWEZNQCLSA-N 1 0 276.380 2.379 10 0 CEAERO COc1cc(CN2CCC[NH2+][C@@H](CC(C)C)C2)ccn1 ZINC000086296321 179267896 /nfs/dbraw/zinc/26/78/96/179267896.db2.gz XWCTXTIXYLMTQJ-HNNXBMFYSA-N 1 0 277.412 2.300 10 0 CEAERO C[C@@]1(C2CC2)CN(Cc2ccc3c(c2)OCO3)CCC[NH2+]1 ZINC000086295877 179267958 /nfs/dbraw/zinc/26/79/58/179267958.db2.gz IBGORZMOGQXKQY-KRWDZBQOSA-N 1 0 288.391 2.379 10 0 CEAERO CC[C@H](C)[C@@H]1CN(Cc2ccnc(OC)c2)CCC[NH2+]1 ZINC000086296306 179268238 /nfs/dbraw/zinc/26/82/38/179268238.db2.gz RMUHWJHQBQYMHM-ZFWWWQNUSA-N 1 0 277.412 2.300 10 0 CEAERO Cc1cccnc1CN1CCC[NH2+][C@@](C)(C2CC2)C1 ZINC000086297392 179268310 /nfs/dbraw/zinc/26/83/10/179268310.db2.gz XFQDRPGIVIQOHR-MRXNPFEDSA-N 1 0 259.397 2.354 10 0 CEAERO COC[C@@H](C)N(C)[C@@H](C[NH3+])c1cc(Cl)cs1 ZINC000086333298 179273551 /nfs/dbraw/zinc/27/35/51/179273551.db2.gz OIWLUWLMVOCCLE-SCZZXKLOSA-N 1 0 262.806 2.368 10 0 CEAERO COC1CCN(c2nc3c(s2)CCC[C@H]3[NH3+])CC1 ZINC000086442649 179293527 /nfs/dbraw/zinc/29/35/27/179293527.db2.gz IWKCDMJSQRDENJ-SNVBAGLBSA-N 1 0 267.398 2.094 10 0 CEAERO C[C@@H]1CSCCN1c1nc2c(s1)CCC[C@@H]2[NH3+] ZINC000086444264 179294502 /nfs/dbraw/zinc/29/45/02/179294502.db2.gz FLTOBHAGYKJAFH-BDAKNGLRSA-N 1 0 269.439 2.421 10 0 CEAERO CC[C@@H]1CN(C(=O)Cc2cccc(OC)c2)[C@@H](CC)C[NH2+]1 ZINC000086446669 179294708 /nfs/dbraw/zinc/29/47/08/179294708.db2.gz WPLCDWPYFYKAMC-CABCVRRESA-N 1 0 290.407 2.227 10 0 CEAERO CC[C@@H]1CN(C(=O)c2cccc(OC)c2O)[C@H](CC)C[NH2+]1 ZINC000086445967 179294875 /nfs/dbraw/zinc/29/48/75/179294875.db2.gz QXHSZNOKVKKVBZ-VXGBXAGGSA-N 1 0 292.379 2.003 10 0 CEAERO CC[C@@H]1CN(C(=O)[C@@H]2COc3ccccc32)[C@H](CC)C[NH2+]1 ZINC000086447159 179295604 /nfs/dbraw/zinc/29/56/04/179295604.db2.gz XTWSMMZTMLSDIP-UMVBOHGHSA-N 1 0 288.391 2.152 10 0 CEAERO CC1(C)C[NH+]=C(N)N1c1cccc(Br)c1 ZINC000086474554 179300586 /nfs/dbraw/zinc/30/05/86/179300586.db2.gz QGVYIUJPTOHDHI-UHFFFAOYSA-N 1 0 268.158 2.362 10 0 CEAERO CC[C@H]1C[NH+]=C(N)N1c1cccc(Br)c1 ZINC000086474567 179300620 /nfs/dbraw/zinc/30/06/20/179300620.db2.gz YXCQABJNGFYUDT-VIFPVBQESA-N 1 0 268.158 2.362 10 0 CEAERO C[C@H](CC[NH+](C)C)Nc1ncc(N)cc1Br ZINC000086481102 179301281 /nfs/dbraw/zinc/30/12/81/179301281.db2.gz XOAHJQIYWMBZTM-MRVPVSSYSA-N 1 0 287.205 2.178 10 0 CEAERO C[C@]1(c2nc([C@@H]3Cc4ccccc43)no2)CCC[NH2+]1 ZINC000086486592 179301499 /nfs/dbraw/zinc/30/14/99/179301499.db2.gz LYWHRNMTZFRKSK-IUODEOHRSA-N 1 0 255.321 2.356 10 0 CEAERO c1ccc2c(c1)C[C@H]2c1noc(C[C@H]2CCC[NH2+]C2)n1 ZINC000086486577 179301925 /nfs/dbraw/zinc/30/19/25/179301925.db2.gz OIFLQBMVJBBZQE-BXUZGUMPSA-N 1 0 269.348 2.300 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCC2(CCC2)CC1 ZINC000308697129 539577596 /nfs/dbraw/zinc/57/75/96/539577596.db2.gz NGKKLBZZYSWHKT-CHWSQXEVSA-N 1 0 250.386 2.154 10 0 CEAERO Cn1cc([C@@H]([NH3+])c2cscc2Br)cn1 ZINC000086555578 179307163 /nfs/dbraw/zinc/30/71/63/179307163.db2.gz LWDBAIFVFWPFJQ-SECBINFHSA-N 1 0 272.171 2.292 10 0 CEAERO [NH3+]C[C@@H]1CCN(c2cscc2Br)C1 ZINC000086556334 179308103 /nfs/dbraw/zinc/30/81/03/179308103.db2.gz ZMLMDQHJDJEERE-ZETCQYMHSA-N 1 0 261.188 2.296 10 0 CEAERO C[C@@H](CO)C[NH2+][C@H](c1ccccc1)c1ccncc1 ZINC000086627953 179313413 /nfs/dbraw/zinc/31/34/13/179313413.db2.gz BYCVAYZNLFNSBZ-CZUORRHYSA-N 1 0 256.349 2.389 10 0 CEAERO C[C@@H]([NH2+]C[C@H](C)CO)c1ccc(-n2ccnc2)cc1 ZINC000086629279 179313774 /nfs/dbraw/zinc/31/37/74/179313774.db2.gz NIFTVVQZNAGQGR-QWHCGFSZSA-N 1 0 259.353 2.151 10 0 CEAERO COCCc1nc2cc(C[NH3+])ccc2n1CC(C)C ZINC000086641675 179314711 /nfs/dbraw/zinc/31/47/11/179314711.db2.gz UTXJXJWDXVHJAU-UHFFFAOYSA-N 1 0 261.369 2.340 10 0 CEAERO Cn1c2ccc(C[NH3+])cc2nc1-c1ccncc1F ZINC000086641276 179315205 /nfs/dbraw/zinc/31/52/05/179315205.db2.gz IKGWGRGXTYIBDS-UHFFFAOYSA-N 1 0 256.284 2.233 10 0 CEAERO CCCOCCc1nc2cc(C[NH3+])ccc2n1CC ZINC000086641844 179315207 /nfs/dbraw/zinc/31/52/07/179315207.db2.gz RJXMFNDAUPUBHF-UHFFFAOYSA-N 1 0 261.369 2.484 10 0 CEAERO CCCn1c2ccc(C[NH3+])cc2nc1[C@H]1CCOC1 ZINC000086641356 179315372 /nfs/dbraw/zinc/31/53/72/179315372.db2.gz KXSUHZKAXSQHFI-LBPRGKRZSA-N 1 0 259.353 2.409 10 0 CEAERO [NH3+]Cc1cnn(Cc2cc(F)cc(Br)c2)c1 ZINC000086696840 179320569 /nfs/dbraw/zinc/32/05/69/179320569.db2.gz HJGVRYJFXSOAJM-UHFFFAOYSA-N 1 0 284.132 2.292 10 0 CEAERO CC[C@H](C)N1C(=O)C[C@H]([NH2+]C(CC)(CC)CC)C1=O ZINC000086642490 179316030 /nfs/dbraw/zinc/31/60/30/179316030.db2.gz HMUJZUGFEJXKLX-RYUDHWBXSA-N 1 0 268.401 2.471 10 0 CEAERO CS(=O)(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000086672034 179317569 /nfs/dbraw/zinc/31/75/69/179317569.db2.gz BXOGUJYMFKBKHH-STQMWFEESA-N 1 0 287.812 2.395 10 0 CEAERO C[NH+](C)Cc1cccc(N[C@@H]2CCC[C@H]2S(C)(=O)=O)c1 ZINC000086672979 179317869 /nfs/dbraw/zinc/31/78/69/179317869.db2.gz IEGGZBQDNGDGIB-HUUCEWRRSA-N 1 0 296.436 2.126 10 0 CEAERO Cc1cc(Br)cnc1N(C)C[C@@H](C)C[NH3+] ZINC000086706995 179322217 /nfs/dbraw/zinc/32/22/17/179322217.db2.gz YEPRALGYTRJEDG-QMMMGPOBSA-N 1 0 272.190 2.184 10 0 CEAERO COC[C@@](C)([NH3+])Cc1cc(F)cc(Br)c1 ZINC000086695731 179320448 /nfs/dbraw/zinc/32/04/48/179320448.db2.gz HBVPFSZLGIVFBF-NSHDSACASA-N 1 0 276.149 2.495 10 0 CEAERO C[C@@H]1CC[C@@H](C(=O)Nc2cccc(C[NH+](C)C)c2)O1 ZINC000130421951 365953893 /nfs/dbraw/zinc/95/38/93/365953893.db2.gz QAPXZIURLQOCNQ-RISCZKNCSA-N 1 0 262.353 2.254 10 0 CEAERO C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1c[nH]c(=NN)s1 ZINC000086767653 179325987 /nfs/dbraw/zinc/32/59/87/179325987.db2.gz ZOPMOSPCLDOQAO-ONGXEEELSA-N 1 0 254.403 2.439 10 0 CEAERO CC(C)CCNC(=O)[C@H](C)O[C@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000086712903 179322783 /nfs/dbraw/zinc/32/27/83/179322783.db2.gz YTWRVTPHGMJICX-IJEWVQPXSA-N 1 0 284.444 2.461 10 0 CEAERO CCOC(=O)[C@@H](C)OC1(C[NH3+])CCC(C(C)C)CC1 ZINC000086713614 179322836 /nfs/dbraw/zinc/32/28/36/179322836.db2.gz YKYAZRPZFWUUHL-DNOWBOINSA-N 1 0 271.401 2.498 10 0 CEAERO CCCC1CCC(C[NH3+])(OCC(=O)NC(C)C)CC1 ZINC000086713424 179323020 /nfs/dbraw/zinc/32/30/20/179323020.db2.gz PSEFKDNFQZHNOV-UHFFFAOYSA-N 1 0 270.417 2.215 10 0 CEAERO CC[C@](C)([NH3+])C(=O)N(C)Cc1ccc(Br)o1 ZINC000086803720 179337549 /nfs/dbraw/zinc/33/75/49/179337549.db2.gz ORKWBGGILPHLMV-NSHDSACASA-N 1 0 289.173 2.128 10 0 CEAERO CC[C@](C)([NH3+])C(=O)NCc1cccc(Br)c1 ZINC000086804933 179338125 /nfs/dbraw/zinc/33/81/25/179338125.db2.gz BZNNGGWPZCMBDH-LBPRGKRZSA-N 1 0 285.185 2.193 10 0 CEAERO COC(=O)[C@]1(NC2CCCCCC2)CCC[N@H+](C)CC1 ZINC000086833417 179349507 /nfs/dbraw/zinc/34/95/07/179349507.db2.gz GJWVOXJZQLBGJB-INIZCTEOSA-N 1 0 282.428 2.326 10 0 CEAERO COC(=O)COc1ccc(N[C@H]2CCC[N@H+](C)CC2)cc1 ZINC000086817611 179345741 /nfs/dbraw/zinc/34/57/41/179345741.db2.gz LLBDFYOOMPHPKW-ZDUSSCGKSA-N 1 0 292.379 2.135 10 0 CEAERO CC[C@@]1(C(=O)[O-])CCC[N@@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC000086834591 179349666 /nfs/dbraw/zinc/34/96/66/179349666.db2.gz FCNZPVYFWMMZLV-UKRRQHHQSA-N 1 0 268.401 2.048 10 0 CEAERO CCCN[C@@]1(c2nccs2)CCC[N@H+](C)CC1 ZINC000086833687 179349956 /nfs/dbraw/zinc/34/99/56/179349956.db2.gz YTBYGBRMZDCTDS-ZDUSSCGKSA-N 1 0 253.415 2.454 10 0 CEAERO CC[N@@H+]1CCC[C@H](Nc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000086836038 179350695 /nfs/dbraw/zinc/35/06/95/179350695.db2.gz MEUQWZSUNZPSIB-NSHDSACASA-N 1 0 274.368 2.143 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2cc(C(N)=O)ccc2OC)CC1 ZINC000086839698 179351262 /nfs/dbraw/zinc/35/12/62/179351262.db2.gz UGDLGWQXSKHIKX-CYBMUJFWSA-N 1 0 291.395 2.080 10 0 CEAERO CC(C)[N@@H+]1CCC[C@@H](Nc2ccccc2CC(N)=O)CC1 ZINC000086839839 179351449 /nfs/dbraw/zinc/35/14/49/179351449.db2.gz QCQZFMANKLXPPL-OAHLLOKOSA-N 1 0 289.423 2.389 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2c(N(C)C)ccnc2OC)CC1 ZINC000086837886 179351769 /nfs/dbraw/zinc/35/17/69/179351769.db2.gz FHBBPBVZNJYHPF-CYBMUJFWSA-N 1 0 292.427 2.443 10 0 CEAERO CCC[N@@H+]1CCC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)[O-])CC1 ZINC000086843296 179353434 /nfs/dbraw/zinc/35/34/34/179353434.db2.gz QMWOTKUFSHNGMO-KGLIPLIRSA-N 1 0 270.417 2.340 10 0 CEAERO CCCn1ccnc1[C@@]1(O)CCC[N@H+](CCC)CC1 ZINC000086852736 179359738 /nfs/dbraw/zinc/35/97/38/179359738.db2.gz BUASZQMOXAVPLY-OAHLLOKOSA-N 1 0 265.401 2.377 10 0 CEAERO COC(=O)C[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000086851574 179359912 /nfs/dbraw/zinc/35/99/12/179359912.db2.gz ATCAGCZBJYMTBX-LLVKDONJSA-N 1 0 272.142 2.186 10 0 CEAERO CC[N@@H+]1CCC[C@@](N)(c2nc(C)c(C)s2)CC1 ZINC000086851310 179360015 /nfs/dbraw/zinc/36/00/15/179360015.db2.gz MLBSZQZFPIDXRW-ZDUSSCGKSA-N 1 0 253.415 2.420 10 0 CEAERO CC(C)[N@@H+]1CCC[C@@](CO)(NCc2ccccc2)CC1 ZINC000086867909 179360173 /nfs/dbraw/zinc/36/01/73/179360173.db2.gz LVHYOYJLFWMVHO-QGZVFWFLSA-N 1 0 276.424 2.402 10 0 CEAERO CCOC(=O)[C@H](CC)[C@]1(O)CCC[N@@H+](C(C)C)CC1 ZINC000086868291 179360460 /nfs/dbraw/zinc/36/04/60/179360460.db2.gz LNAKUJDAJMVRED-ZFWWWQNUSA-N 1 0 271.401 2.201 10 0 CEAERO CCC[N@@H+]1CCC[C@@H]([NH+](CC(=O)[O-])[C@@H](C)CC)CC1 ZINC000086868834 179361170 /nfs/dbraw/zinc/36/11/70/179361170.db2.gz KFGRIJGYADAERY-UONOGXRCSA-N 1 0 270.417 2.436 10 0 CEAERO CC(C)[N@@H+]1CCC[C@H]([NH+]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000086868594 179362009 /nfs/dbraw/zinc/36/20/09/179362009.db2.gz TWBVLBCRPXHIKT-KBPBESRZSA-N 1 0 268.401 2.046 10 0 CEAERO CC(C)[N@H+](CCC(=O)[O-])[C@@H]1CCC[NH+](C(C)C)CC1 ZINC000086868771 179362121 /nfs/dbraw/zinc/36/21/21/179362121.db2.gz LVWSFDGPCROOLE-CQSZACIVSA-N 1 0 270.417 2.434 10 0 CEAERO CC(C)[N@H+](CC(=O)[O-])[C@@H]1CCC[NH+](C(C)C)CC1 ZINC000086868760 179362226 /nfs/dbraw/zinc/36/22/26/179362226.db2.gz YPMJTACTIYPKCL-CYBMUJFWSA-N 1 0 256.390 2.044 10 0 CEAERO CC(C)[N@@H+]1CCC[C@@H]([NH+]2CCC[C@@](C)(C(=O)[O-])C2)CC1 ZINC000086869141 179362959 /nfs/dbraw/zinc/36/29/59/179362959.db2.gz IMWNFTNTWBNWNO-GDBMZVCRSA-N 1 0 282.428 2.436 10 0 CEAERO c1cc2c(cc1CC[NH2+][C@@H]1CCCOCC1)OCCO2 ZINC000086869582 179363357 /nfs/dbraw/zinc/36/33/57/179363357.db2.gz XKOYDVSPGQGNRZ-CQSZACIVSA-N 1 0 277.364 2.159 10 0 CEAERO CC(C)[N@@H+]1CCC[C@@](Nc2ccccc2)(C(N)=O)CC1 ZINC000086849314 179358290 /nfs/dbraw/zinc/35/82/90/179358290.db2.gz BKGCSJBYVQIUBC-INIZCTEOSA-N 1 0 275.396 2.217 10 0 CEAERO CCCc1nc([C@]2(N)CCC[N@@H+](CCC)CC2)no1 ZINC000086851740 179359081 /nfs/dbraw/zinc/35/90/81/179359081.db2.gz KTYBBTBOEQURLH-AWEZNQCLSA-N 1 0 266.389 2.072 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH3+])Cc1cccc(Cl)c1 ZINC000086978578 179372673 /nfs/dbraw/zinc/37/26/73/179372673.db2.gz DNTCUJUXAKCXMH-ZDUSSCGKSA-N 1 0 289.828 2.425 10 0 CEAERO CCS(=O)(=O)CCCC1([NH3+])CCC(C)(C)CC1 ZINC000086977466 179372694 /nfs/dbraw/zinc/37/26/94/179372694.db2.gz LUWIDGWWPYBJMX-UHFFFAOYSA-N 1 0 261.431 2.499 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH3+])c1ccc2ncccc2c1 ZINC000086979636 179372930 /nfs/dbraw/zinc/37/29/30/179372930.db2.gz FMXAXBKWWBCJEW-AWEZNQCLSA-N 1 0 292.404 2.450 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]1[NH2+]CCc2ccccc21 ZINC000086979755 179372991 /nfs/dbraw/zinc/37/29/91/179372991.db2.gz QKOWFNDZHSIJOK-AWEZNQCLSA-N 1 0 267.394 2.088 10 0 CEAERO CCS(=O)(=O)CCCn1c(C[NH2+]C)cc2ccccc21 ZINC000086981596 179373507 /nfs/dbraw/zinc/37/35/07/179373507.db2.gz KZGWZDRFHJIUKK-UHFFFAOYSA-N 1 0 294.420 2.186 10 0 CEAERO CCCC1CC[NH+]([C@@]2(CN)CCCOCC2)CC1 ZINC000086875624 179365211 /nfs/dbraw/zinc/36/52/11/179365211.db2.gz SPFQYSZXEUAVAW-HNNXBMFYSA-N 1 0 254.418 2.397 10 0 CEAERO C[N@H+](CC1CCCCC1)[C@]1(CN)CCCOCC1 ZINC000086875269 179365585 /nfs/dbraw/zinc/36/55/85/179365585.db2.gz KMPQXMNKOLTJAS-OAHLLOKOSA-N 1 0 254.418 2.397 10 0 CEAERO CCC(CC)[N@H+](CCOC)[C@@]1(CN)CCCOCC1 ZINC000086875415 179365619 /nfs/dbraw/zinc/36/56/19/179365619.db2.gz UTJVKVWNEAXWKF-HNNXBMFYSA-N 1 0 272.433 2.021 10 0 CEAERO C[C@H]1CN([C@@]2(C[NH3+])CCC[C@@H](C)CC2)[C@@H](C)CO1 ZINC000086890653 179366506 /nfs/dbraw/zinc/36/65/06/179366506.db2.gz KUASGQKMEKFHGN-QPSCCSFWSA-N 1 0 254.418 2.393 10 0 CEAERO CCOC(=O)[C@@]1(NCC[NH+](C)C)CCC[C@@H](CC)CC1 ZINC000086915934 179367263 /nfs/dbraw/zinc/36/72/63/179367263.db2.gz VIAWLYLBTMGEQY-GDBMZVCRSA-N 1 0 284.444 2.430 10 0 CEAERO CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC(=O)N2)CC1 ZINC000086947350 179368353 /nfs/dbraw/zinc/36/83/53/179368353.db2.gz NSKXHROFSZDKQE-RDBSUJKOSA-N 1 0 252.402 2.460 10 0 CEAERO CCC[C@H]1CCC[C@](CO)([NH+]2CCNCC2)CC1 ZINC000086952232 179368373 /nfs/dbraw/zinc/36/83/73/179368373.db2.gz LCHBFPHFMSTGPM-GJZGRUSLSA-N 1 0 254.418 2.003 10 0 CEAERO CCS(=O)(=O)CCC[NH2+][C@@H](C)Cc1ccccc1 ZINC000086974427 179371213 /nfs/dbraw/zinc/37/12/13/179371213.db2.gz XSHNIJCWVFBBNQ-ZDUSSCGKSA-N 1 0 269.410 2.032 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]1CCc2ccccc2[C@H]1[NH3+] ZINC000086976347 179372103 /nfs/dbraw/zinc/37/21/03/179372103.db2.gz YVKVMKWMZROOAE-HIFRSBDPSA-N 1 0 281.421 2.464 10 0 CEAERO CC[C@](C)(O)CNC(=O)CC[C@@H](CC[NH3+])C(C)(C)C ZINC000087027120 179381669 /nfs/dbraw/zinc/38/16/69/179381669.db2.gz JTXJGRAGVHDAMI-WFASDCNBSA-N 1 0 272.433 2.055 10 0 CEAERO CCC(O)(CC)CNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000087027253 179381816 /nfs/dbraw/zinc/38/18/16/179381816.db2.gz DMFZJPIASQWBPF-CQSZACIVSA-N 1 0 278.396 2.134 10 0 CEAERO COc1ccc([C@@H](C[NH3+])N(C)CC(C)C)cc1F ZINC000086983536 179374081 /nfs/dbraw/zinc/37/40/81/179374081.db2.gz OMMSOROFEUCVOK-CYBMUJFWSA-N 1 0 254.349 2.422 10 0 CEAERO Cc1nc([C@H]2CSCCS2)nc(C)c1C[NH3+] ZINC000086985426 179374391 /nfs/dbraw/zinc/37/43/91/179374391.db2.gz ODLIYDDYDPYFAQ-SNVBAGLBSA-N 1 0 255.412 2.073 10 0 CEAERO COc1ccc([C@H]2[C@H]([NH3+])CC(=O)N2CC(C)C)cc1F ZINC000086995284 179375855 /nfs/dbraw/zinc/37/58/55/179375855.db2.gz ARWQQVVLXGJVPO-DOMZBBRYSA-N 1 0 280.343 2.091 10 0 CEAERO COc1ccc([C@H]2[C@@H]([NH3+])CCCC(=O)N2C2CC2)cc1F ZINC000086995335 179375991 /nfs/dbraw/zinc/37/59/91/179375991.db2.gz CSGKMUWLCQFFOW-BBRMVZONSA-N 1 0 292.354 2.378 10 0 CEAERO CCc1c(C)nc(-c2ccc(OC)c(F)c2)[nH+]c1NN ZINC000086994215 179376284 /nfs/dbraw/zinc/37/62/84/179376284.db2.gz GIANVLKNNRUIRD-UHFFFAOYSA-N 1 0 276.315 2.448 10 0 CEAERO C[C@H]1CCC[C@H](C[NH3+])N1C(=O)c1c(F)cc(F)cc1F ZINC000086998023 179377445 /nfs/dbraw/zinc/37/74/45/179377445.db2.gz WLJVJUKJPDEEPS-WCBMZHEXSA-N 1 0 286.297 2.446 10 0 CEAERO COc1ccc([C@@H]2C[NH2+]CC(C)(C)O2)c(OC)c1OC ZINC000087090371 179394411 /nfs/dbraw/zinc/39/44/11/179394411.db2.gz QUQKOSXJRGYTMH-LBPRGKRZSA-N 1 0 281.352 2.152 10 0 CEAERO C[NH2+]CCc1c(C)nc(CSC(C)C)nc1C ZINC000087114793 179395134 /nfs/dbraw/zinc/39/51/34/179395134.db2.gz UVYBRQDMFWEAHM-UHFFFAOYSA-N 1 0 253.415 2.497 10 0 CEAERO CCCSCc1noc(C[C@H]([NH2+]C)C(C)C)n1 ZINC000087108421 179395708 /nfs/dbraw/zinc/39/57/08/179395708.db2.gz CUPAMAADWMALJX-JTQLQIEISA-N 1 0 257.403 2.499 10 0 CEAERO C[C@H]([NH2+]CC1(O)CCC(C)CC1)C(=O)NC1CCCCC1 ZINC000087063353 179390290 /nfs/dbraw/zinc/39/02/90/179390290.db2.gz RKDOSBBOASFEFR-UUCFBXCCSA-N 1 0 296.455 2.355 10 0 CEAERO CC1(C)CCC(O)(CNC(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000087068794 179391148 /nfs/dbraw/zinc/39/11/48/179391148.db2.gz YWJCDWHHAIQJJF-AWEZNQCLSA-N 1 0 290.407 2.134 10 0 CEAERO CCC1CCC(O)(CN2CCC[C@@H]([NH2+]C(C)C)C2=O)CC1 ZINC000087071357 179391361 /nfs/dbraw/zinc/39/13/61/179391361.db2.gz YJMUMKPYKKKOKW-ISXOHVOVSA-N 1 0 296.455 2.307 10 0 CEAERO C[C@@H]([NH2+]CC1(O)CCCCCC1)C(=O)N1CCCCCC1 ZINC000087089385 179393705 /nfs/dbraw/zinc/39/37/05/179393705.db2.gz ULIUGJCDCPCEDU-OAHLLOKOSA-N 1 0 296.455 2.452 10 0 CEAERO Cc1nn(C)c(OCc2cccc(Cl)c2)c1C(N)=[NH2+] ZINC000087094169 179393955 /nfs/dbraw/zinc/39/39/55/179393955.db2.gz TXBXTUKWDLUBTJ-UHFFFAOYSA-N 1 0 278.743 2.245 10 0 CEAERO [NH3+]CCCc1nnc(CSC2CCCCC2)[nH]1 ZINC000087151394 179397447 /nfs/dbraw/zinc/39/74/47/179397447.db2.gz ZGNPBLYOMHYWJP-UHFFFAOYSA-N 1 0 254.403 2.262 10 0 CEAERO C[NH2+][C@H](CSc1ccccc1)Cc1cnn(C)c1 ZINC000087162443 179398468 /nfs/dbraw/zinc/39/84/68/179398468.db2.gz TVCPTNOUNUIGOZ-ZDUSSCGKSA-N 1 0 261.394 2.343 10 0 CEAERO CCC[NH+]1CCC(O)(Cc2cccc(OC)c2)CC1 ZINC000087165831 179398720 /nfs/dbraw/zinc/39/87/20/179398720.db2.gz VKBGIBBQPOCVME-UHFFFAOYSA-N 1 0 263.381 2.475 10 0 CEAERO C[C@](O)(Cc1cccc(F)c1F)[C@H]1CCC[NH2+]C1 ZINC000087172641 179399286 /nfs/dbraw/zinc/39/92/86/179399286.db2.gz VSHWHAUOEKCRLR-FZMZJTMJSA-N 1 0 255.308 2.258 10 0 CEAERO CC[NH2+][C@@H](C[C@H]1CCCO1)c1ccc2c(c1)oc(=O)n2C ZINC000087214902 179402373 /nfs/dbraw/zinc/40/23/73/179402373.db2.gz QEFMYSIHKXBBPR-OLZOCXBDSA-N 1 0 290.363 2.351 10 0 CEAERO COc1ccc([C@H](C[NH3+])[C@H](O)c2ccco2)cc1OC ZINC000087370516 179416599 /nfs/dbraw/zinc/41/65/99/179416599.db2.gz NNHORMOEJQOZIQ-NHYWBVRUSA-N 1 0 277.320 2.073 10 0 CEAERO [NH3+]C[C@H](c1ccc(F)cc1F)[C@H](O)c1ccco1 ZINC000087382637 179418202 /nfs/dbraw/zinc/41/82/02/179418202.db2.gz WYVZSQKRMMRCPU-MFKMUULPSA-N 1 0 253.248 2.334 10 0 CEAERO CC[C@H](C[NH3+])NC(=O)c1cc2c(s1)CCCCC2 ZINC000087385613 179418696 /nfs/dbraw/zinc/41/86/96/179418696.db2.gz FPJWOXRUHBSAJM-LLVKDONJSA-N 1 0 266.410 2.484 10 0 CEAERO CCC[C@@H](C[NH3+])NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000087404424 179420027 /nfs/dbraw/zinc/42/00/27/179420027.db2.gz OPBYHDBJUIIQJW-ZDUSSCGKSA-N 1 0 298.452 2.390 10 0 CEAERO CC[NH2+][C@@H]1CCCCC[C@@H]1c1nc(-c2cnn(C)c2)no1 ZINC000087427162 179424596 /nfs/dbraw/zinc/42/45/96/179424596.db2.gz MNYXINVJRQQZPP-QWHCGFSZSA-N 1 0 289.383 2.496 10 0 CEAERO CN(C)c1ccc(NC(=O)C(C)(C)C(C)(C)[NH3+])cc1 ZINC000087627341 179458304 /nfs/dbraw/zinc/45/83/04/179458304.db2.gz CEHPMVVKQFLBLT-UHFFFAOYSA-N 1 0 263.385 2.455 10 0 CEAERO CC(C)C[NH2+]CCN(C)c1nc(C2CC2)ns1 ZINC000087643694 179462758 /nfs/dbraw/zinc/46/27/58/179462758.db2.gz BABUJZQCZDJCGL-UHFFFAOYSA-N 1 0 254.403 2.097 10 0 CEAERO Cc1cc(Br)cnc1NC[C@@H]1CC[NH2+]C1 ZINC000087655221 179464589 /nfs/dbraw/zinc/46/45/89/179464589.db2.gz ZJMDLQUAPLFOMG-SECBINFHSA-N 1 0 270.174 2.174 10 0 CEAERO C[C@@H]([NH3+])CCC[C@@H](C)C(=O)OCC1CCOCC1 ZINC000087673351 179467291 /nfs/dbraw/zinc/46/72/91/179467291.db2.gz VOKMINREPFJXDA-VXGBXAGGSA-N 1 0 257.374 2.110 10 0 CEAERO C[C@H](CCC[C@H](C)[NH3+])C(=O)N(C)CC(F)(F)F ZINC000087694644 179471627 /nfs/dbraw/zinc/47/16/27/179471627.db2.gz CDCDMGHGJGQURK-BDAKNGLRSA-N 1 0 254.296 2.161 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)c1sccc1Cl ZINC000087721832 179476922 /nfs/dbraw/zinc/47/69/22/179476922.db2.gz BTLPDTMTGVBMFZ-IUCAKERBSA-N 1 0 258.774 2.401 10 0 CEAERO CC(C)OC(=O)c1ccc(NC(=O)[C@H](C[NH3+])C(C)C)cc1 ZINC000087517996 179438947 /nfs/dbraw/zinc/43/89/47/179438947.db2.gz ZZMLLPDZIUYIBT-CQSZACIVSA-N 1 0 292.379 2.421 10 0 CEAERO CC[C@H](C[NH3+])C(=O)Nc1cc(Cl)ccc1N(C)C ZINC000087519975 179439441 /nfs/dbraw/zinc/43/94/41/179439441.db2.gz VTOXXJPXSPVPFM-SECBINFHSA-N 1 0 269.776 2.329 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)N1CCC[C@@H]1c1ccsc1 ZINC000087526292 179441044 /nfs/dbraw/zinc/44/10/44/179441044.db2.gz MRDRMQJXDCRNDK-CMPLNLGQSA-N 1 0 252.383 2.397 10 0 CEAERO CC(C)[C@H](C[NH3+])C(=O)N(Cc1cccc(O)c1)C1CC1 ZINC000087527751 179441329 /nfs/dbraw/zinc/44/13/29/179441329.db2.gz MZFRRRTVRGYRRE-HNNXBMFYSA-N 1 0 276.380 2.114 10 0 CEAERO CCC[NH2+][C@H](CC(=O)OC)c1ccccc1OC ZINC000087552137 179445199 /nfs/dbraw/zinc/44/51/99/179445199.db2.gz JXEYWQSSZTUCNH-GFCCVEGCSA-N 1 0 251.326 2.299 10 0 CEAERO C[NH2+]CC[C@](C)(O)c1sccc1Br ZINC000087571880 179447970 /nfs/dbraw/zinc/44/79/70/179447970.db2.gz WKESKSXNNPUOQS-VIFPVBQESA-N 1 0 264.188 2.328 10 0 CEAERO OCC[N@@H+]1CCC[C@@H](c2ccc3nnccc3c2)CC1 ZINC000616626668 348539711 /nfs/dbraw/zinc/53/97/11/348539711.db2.gz CTFCSLDGPIXTCD-CYBMUJFWSA-N 1 0 271.364 2.192 10 0 CEAERO CC(C)(C)OC(=O)Nc1ccc([C@H]2C[NH2+]CCN2)cc1 ZINC000616631047 348541488 /nfs/dbraw/zinc/54/14/88/348541488.db2.gz QCXTUINYTSQMSI-CYBMUJFWSA-N 1 0 277.368 2.268 10 0 CEAERO CC[C@H]1C[C@@](C[NH3+])(Nc2ccccc2OC)CCO1 ZINC000087913035 179521971 /nfs/dbraw/zinc/52/19/71/179521971.db2.gz NKBNZTUNQKUYPS-WFASDCNBSA-N 1 0 264.369 2.394 10 0 CEAERO [NH3+]C[C@@H](S[C@H]1CCOC1)C(F)(F)C(F)(F)F ZINC000616569512 348523625 /nfs/dbraw/zinc/52/36/25/348523625.db2.gz LYTGMCLINBTHCS-NTSWFWBYSA-N 1 0 265.247 2.033 10 0 CEAERO CC(C)(C)OC(=O)NC[C@H]1COCC[N@@H+](C(C)(C)C)C1 ZINC000616657978 348550662 /nfs/dbraw/zinc/55/06/62/348550662.db2.gz ADFKBSUCNYAREW-GFCCVEGCSA-N 1 0 286.416 2.258 10 0 CEAERO CCOC(=O)c1ccc([C@@H]2COCC[N@H+](CC)C2)cc1 ZINC000616597236 348528993 /nfs/dbraw/zinc/52/89/93/348528993.db2.gz IFRDSXLXUHJVGD-HNNXBMFYSA-N 1 0 277.364 2.299 10 0 CEAERO CC(C)(C)[N@@H+]1CCOC[C@@H](c2ccc(CO)cc2)C1 ZINC000616598895 348530372 /nfs/dbraw/zinc/53/03/72/348530372.db2.gz USXAHGHMQTUZGS-HNNXBMFYSA-N 1 0 263.381 2.393 10 0 CEAERO Nc1ccc([C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000616612223 348533977 /nfs/dbraw/zinc/53/39/77/348533977.db2.gz XYONWYKNQJMCKL-OAHLLOKOSA-N 1 0 253.349 2.484 10 0 CEAERO CCOC(=O)c1ccc([C@@H]2CCCC[N@@H+]2CCO)cc1 ZINC000616616167 348534769 /nfs/dbraw/zinc/53/47/69/348534769.db2.gz KQKHVDNYPGTHTE-HNNXBMFYSA-N 1 0 277.364 2.383 10 0 CEAERO [NH3+]CCN1CCCC[C@@H]1c1ccc2nnccc2c1 ZINC000616615395 348535030 /nfs/dbraw/zinc/53/50/30/348535030.db2.gz XVHJVJIBELZDJE-OAHLLOKOSA-N 1 0 256.353 2.116 10 0 CEAERO CC[C@H]1CCC[C@H](Oc2cc(NN)[nH+]c(C)n2)C1 ZINC000087890704 179514439 /nfs/dbraw/zinc/51/44/39/179514439.db2.gz QEQIOVXUQMATSN-QWRGUYRKSA-N 1 0 250.346 2.418 10 0 CEAERO OCC[N@@H+]1CCC[C@@H](c2ccc3cnccc3c2)C1 ZINC000616621372 348537153 /nfs/dbraw/zinc/53/71/53/348537153.db2.gz RULREVLOPLXXHU-MRXNPFEDSA-N 1 0 256.349 2.407 10 0 CEAERO [NH3+]CCN1CCC[C@H](c2ccc3cnccc3c2)C1 ZINC000616621490 348537461 /nfs/dbraw/zinc/53/74/61/348537461.db2.gz QCDFZLMRFXGHSH-INIZCTEOSA-N 1 0 255.365 2.373 10 0 CEAERO CC[C@@H]([NH3+])C[S@](=O)Cc1ccc(Br)s1 ZINC000088073978 179544481 /nfs/dbraw/zinc/54/44/81/179544481.db2.gz XDNBMDRCAVCDFJ-NXSYQRQQSA-N 1 0 296.255 2.497 10 0 CEAERO COc1cccc(F)c1C(=O)NCC[C@H]1CCCC[NH2+]1 ZINC000088080013 179545457 /nfs/dbraw/zinc/54/54/57/179545457.db2.gz PCPSRAUIIZHLIB-LLVKDONJSA-N 1 0 280.343 2.096 10 0 CEAERO CC[C@@H]([NH3+])c1cnn(CCc2ccc3c(c2)CCO3)c1 ZINC000088106287 179549807 /nfs/dbraw/zinc/54/98/07/179549807.db2.gz WLDQDOLPZGONTF-OAHLLOKOSA-N 1 0 271.364 2.471 10 0 CEAERO C[C@H](Oc1cccc2c1CCC[C@@H]2[NH3+])C(=O)N1CCCC1 ZINC000088150944 179557779 /nfs/dbraw/zinc/55/77/79/179557779.db2.gz XFDZUIWOOFSSEO-WFASDCNBSA-N 1 0 288.391 2.412 10 0 CEAERO CC(C)C[C@@H](C[NH3+])CC(=O)Nc1cccc(O)c1 ZINC000088277864 179574523 /nfs/dbraw/zinc/57/45/23/179574523.db2.gz CGBYKEVAOWGULI-LLVKDONJSA-N 1 0 250.342 2.342 10 0 CEAERO NC(=O)c1ccc([C@H]2CCc3ccccc3N2CC[NH3+])cc1 ZINC000616668227 348555400 /nfs/dbraw/zinc/55/54/00/348555400.db2.gz HPHQEFROIZNOMI-QGZVFWFLSA-N 1 0 295.386 2.238 10 0 CEAERO [NH3+]CCN1C[C@@H](c2cccc(CCO)c2)Cc2ccccc21 ZINC000616670216 348555998 /nfs/dbraw/zinc/55/59/98/348555998.db2.gz FEUJYZQODSBIBS-SFHVURJKSA-N 1 0 296.414 2.326 10 0 CEAERO [NH3+]CCN1CC[C@@H](c2cccc(CO)c2)c2ccccc21 ZINC000616674205 348556887 /nfs/dbraw/zinc/55/68/87/348556887.db2.gz GIYRXAAHPIXJIB-INIZCTEOSA-N 1 0 282.387 2.480 10 0 CEAERO [NH3+]CCN1CC[C@H](c2ccc(CO)cc2)c2ccccc21 ZINC000616675729 348557223 /nfs/dbraw/zinc/55/72/23/348557223.db2.gz PSLLYYWBYNUCPG-MRXNPFEDSA-N 1 0 282.387 2.480 10 0 CEAERO NC(=O)c1ccccc1[C@@H]1CCN(CC[NH3+])c2ccccc21 ZINC000616675252 348557434 /nfs/dbraw/zinc/55/74/34/348557434.db2.gz PUGZBNXRFDHPBM-AWEZNQCLSA-N 1 0 295.386 2.086 10 0 CEAERO OCCc1cccc([C@H]2[NH2+]CCc3ccccc32)c1 ZINC000616680233 348559107 /nfs/dbraw/zinc/55/91/07/348559107.db2.gz KLBDFJCHBDPBKK-QGZVFWFLSA-N 1 0 253.345 2.457 10 0 CEAERO Cc1noc(NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)c1C ZINC000088245537 179570005 /nfs/dbraw/zinc/57/00/05/179570005.db2.gz GEOJTYUDUXZOBM-CYBMUJFWSA-N 1 0 271.320 2.117 10 0 CEAERO CC(C)C[C@@H](C[NH3+])CC(=O)N(C[C@@H]1CCOC1)C1CC1 ZINC000088277502 179574367 /nfs/dbraw/zinc/57/43/67/179574367.db2.gz YJQPEELTFDFKQW-UONOGXRCSA-N 1 0 282.428 2.025 10 0 CEAERO COC(=O)c1sccc1NC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000088278036 179574388 /nfs/dbraw/zinc/57/43/88/179574388.db2.gz IEOVNAJEAPSOAN-JTQLQIEISA-N 1 0 298.408 2.484 10 0 CEAERO CC[C@H](NC(=O)[C@@H]1C[NH2+]C[C@@H](C)C1)c1ccccc1 ZINC000088450901 179606611 /nfs/dbraw/zinc/60/66/11/179606611.db2.gz QJQHQQOXEMMEJI-QEJZJMRPSA-N 1 0 260.381 2.500 10 0 CEAERO CCOC(CC[N@H+](C)C[C@H]1CCCOC1)OCC ZINC000104199788 185927439 /nfs/dbraw/zinc/92/74/39/185927439.db2.gz FWZLTBUTNQXQRF-CYBMUJFWSA-N 1 0 259.390 2.134 10 0 CEAERO COCc1ccccc1C[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000088557433 179624428 /nfs/dbraw/zinc/62/44/28/179624428.db2.gz PRPQJJRYWWYDJY-ZBFHGGJFSA-N 1 0 263.381 2.474 10 0 CEAERO COCc1ccc([C@@H]2[C@H](C[NH2+]C(C)C)OCCN2C)cc1 ZINC000088568060 179626655 /nfs/dbraw/zinc/62/66/55/179626655.db2.gz MGTLUGBGCJDIIG-DLBZAZTESA-N 1 0 292.423 2.203 10 0 CEAERO CC(C)C[C@H]1C[NH2+][C@H](C(C)(C)C)CN1Cc1ncnn1C ZINC000088583858 179630014 /nfs/dbraw/zinc/63/00/14/179630014.db2.gz GQLPFMQGLKYBSC-KBPBESRZSA-N 1 0 293.459 2.050 10 0 CEAERO COc1cccc([C@@H]([NH3+])Cc2ncnn2C(C)C)c1 ZINC000088609885 179637409 /nfs/dbraw/zinc/63/74/09/179637409.db2.gz GJBQADQUVUUZSB-ZDUSSCGKSA-N 1 0 260.341 2.110 10 0 CEAERO CCn1ncnc1C[C@H](CCc1ccccc1)[NH2+]C ZINC000088611008 179638724 /nfs/dbraw/zinc/63/87/24/179638724.db2.gz FMPDZOKNDDRUQG-AWEZNQCLSA-N 1 0 258.369 2.061 10 0 CEAERO CCn1ncnc1C[C@H](Cc1cc(C)cc(C)c1)[NH2+]C ZINC000088611779 179638754 /nfs/dbraw/zinc/63/87/54/179638754.db2.gz PKBFZCFBAGMRIY-HNNXBMFYSA-N 1 0 272.396 2.288 10 0 CEAERO CCn1ncnc1C[C@H]([NH2+]C)c1ccc2ncccc2c1 ZINC000088612203 179639375 /nfs/dbraw/zinc/63/93/75/179639375.db2.gz CPKIIACZPNMVAJ-HNNXBMFYSA-N 1 0 281.363 2.349 10 0 CEAERO CC[NH2+][C@@H](CSC1CCCC1)Cc1ncnn1CC ZINC000088612896 179639777 /nfs/dbraw/zinc/63/97/77/179639777.db2.gz KKBZKRQUXWMKJT-GFCCVEGCSA-N 1 0 282.457 2.494 10 0 CEAERO CCC[NH2+][C@H](Cc1ncnn1CCC)[C@@H]1C[C@@H]1C ZINC000088617072 179639825 /nfs/dbraw/zinc/63/98/25/179639825.db2.gz YGWMJKNPUZODLJ-YNEHKIRRSA-N 1 0 250.390 2.255 10 0 CEAERO CC(C)Cn1ncnc1Cn1ccc2ccc(C[NH3+])cc21 ZINC000088623515 179640947 /nfs/dbraw/zinc/64/09/47/179640947.db2.gz FFGUZYWVYWZDBE-UHFFFAOYSA-N 1 0 283.379 2.396 10 0 CEAERO CC[C@H]1C[NH2+][C@](C)(CC)CN1Cc1ncnn1CC(C)C ZINC000088625555 179642219 /nfs/dbraw/zinc/64/22/19/179642219.db2.gz KNQNGUBMMDNDIU-GOEBONIOSA-N 1 0 293.459 2.287 10 0 CEAERO CCCn1ncnc1CN1C[C@H](CC)[NH2+]C[C@@H]1C(C)(C)C ZINC000088625366 179642461 /nfs/dbraw/zinc/64/24/61/179642461.db2.gz APXIBTRNBMIUOK-UONOGXRCSA-N 1 0 293.459 2.287 10 0 CEAERO C[C@](O)(Cc1ccncc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000088782661 179672595 /nfs/dbraw/zinc/67/25/95/179672595.db2.gz KZXSJAMDKRHHMA-YPMHNXCESA-N 1 0 254.761 2.028 10 0 CEAERO CC(C)[NH2+]Cc1ccnn1Cc1ccncc1Cl ZINC000088790896 179672746 /nfs/dbraw/zinc/67/27/46/179672746.db2.gz PHGOYDOALZWJAF-UHFFFAOYSA-N 1 0 264.760 2.478 10 0 CEAERO C[C@]1(C(=O)Nc2c(F)cc(F)cc2F)CCC[NH2+]C1 ZINC000088721710 179658862 /nfs/dbraw/zinc/65/88/62/179658862.db2.gz DPKQUQJWUWRZLC-ZDUSSCGKSA-N 1 0 272.270 2.432 10 0 CEAERO CCc1nc(CC)n([C@@H](c2ccccc2)[C@@H](C)[NH3+])n1 ZINC000088739929 179662175 /nfs/dbraw/zinc/66/21/75/179662175.db2.gz SBNPQBXDFQLHCC-IAQYHMDHSA-N 1 0 258.369 2.340 10 0 CEAERO CCc1nc(CC)n([C@@H](c2cccnc2)[C@@H]([NH3+])CC)n1 ZINC000088739609 179662180 /nfs/dbraw/zinc/66/21/80/179662180.db2.gz IEAWGSYBFILUIT-WFASDCNBSA-N 1 0 273.384 2.125 10 0 CEAERO O=c1[nH]c(C[NH2+][C@H]2CC=CCC2)nc2ccccc21 ZINC000088748174 179664218 /nfs/dbraw/zinc/66/42/18/179664218.db2.gz GRCXGBBSLKMPDS-NSHDSACASA-N 1 0 255.321 2.121 10 0 CEAERO C[NH2+]Cc1cccc(CS(=O)(=O)Nc2ccccc2)c1 ZINC000088975506 179688242 /nfs/dbraw/zinc/68/82/42/179688242.db2.gz FNZUIOOGKMXIGO-UHFFFAOYSA-N 1 0 290.388 2.348 10 0 CEAERO CC[NH2+]CCCCS(=O)(=O)NC1(C)CCCCC1 ZINC000089013339 179691304 /nfs/dbraw/zinc/69/13/04/179691304.db2.gz BDBJWSSXTOZBNU-UHFFFAOYSA-N 1 0 276.446 2.018 10 0 CEAERO Cc1cccc(N(C)S(=O)(=O)c2ccsc2C[NH3+])c1 ZINC000089021045 179691983 /nfs/dbraw/zinc/69/19/83/179691983.db2.gz BMUUAVZFGMYIRJ-UHFFFAOYSA-N 1 0 296.417 2.340 10 0 CEAERO CC[NH2+]Cc1cc(S(=O)(=O)N[C@H]2C[C@H]2C)c(C)cc1C ZINC000089024053 179692491 /nfs/dbraw/zinc/69/24/91/179692491.db2.gz KYKBSAOOSACJHT-RISCZKNCSA-N 1 0 296.436 2.100 10 0 CEAERO [NH3+]C1CCC(C(=O)NCC(C2CC2)C2CC2)CC1 ZINC000088456939 539675033 /nfs/dbraw/zinc/67/50/33/539675033.db2.gz BFZLWDDRQWZBQP-UHFFFAOYSA-N 1 0 250.386 2.056 10 0 CEAERO CCS(=O)(=O)c1ccccc1N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089105917 179701798 /nfs/dbraw/zinc/70/17/98/179701798.db2.gz FTSTWUFMYPHAAW-VXGBXAGGSA-N 1 0 282.409 2.020 10 0 CEAERO C[C@@H]1CCCCCN1S(=O)(=O)CCCC[NH2+]C1CC1 ZINC000089046684 179693515 /nfs/dbraw/zinc/69/35/15/179693515.db2.gz VXBXARFVVGDHLJ-CYBMUJFWSA-N 1 0 288.457 2.113 10 0 CEAERO CC[C@H]([NH3+])Cc1ccc(N2CCCOCC2)c(F)c1 ZINC000104265676 185948960 /nfs/dbraw/zinc/94/89/60/185948960.db2.gz LPYVOQMOMVZUCF-ZDUSSCGKSA-N 1 0 266.360 2.332 10 0 CEAERO COC[C@H](C)[NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000089147158 179722889 /nfs/dbraw/zinc/72/28/89/179722889.db2.gz NXSPGUUXXJYTGX-XQQFMLRXSA-N 1 0 286.416 2.304 10 0 CEAERO CCN(C(=O)c1ccc(C)c(O)c1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089113832 179708403 /nfs/dbraw/zinc/70/84/03/179708403.db2.gz SRWBFSIHYIBPRJ-ZIAGYGMSSA-N 1 0 276.380 2.290 10 0 CEAERO CCN(C(=O)c1cc(Cl)cn1C)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089114572 179708814 /nfs/dbraw/zinc/70/88/14/179708814.db2.gz WOFXRVDMPIGGPX-ZYHUDNBSSA-N 1 0 283.803 2.268 10 0 CEAERO CN(C)c1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000089120230 179711707 /nfs/dbraw/zinc/71/17/07/179711707.db2.gz DVDVWSHLLQMKPO-ZBFHGGJFSA-N 1 0 289.423 2.342 10 0 CEAERO CCc1ncnc(NCc2ccc(C[NH3+])cc2F)c1F ZINC000234193441 539693730 /nfs/dbraw/zinc/69/37/30/539693730.db2.gz WPPHEIGFINZTPK-UHFFFAOYSA-N 1 0 278.306 2.388 10 0 CEAERO CCc1cc2c(ncnc2N2CC[C@@H]([NH2+]C)C2)s1 ZINC000129108033 187411127 /nfs/dbraw/zinc/41/11/27/187411127.db2.gz CUYJQRISPNTESL-SECBINFHSA-N 1 0 262.382 2.052 10 0 CEAERO CC[C@H]1C[NH2+]CCN1Cc1nn(CC)c2ccccc12 ZINC000089175035 179740474 /nfs/dbraw/zinc/74/04/74/179740474.db2.gz SFWBOPSNNUOZIL-ZDUSSCGKSA-N 1 0 272.396 2.240 10 0 CEAERO Cc1cc(CO[C@@]2(C[NH3+])CCC[C@H](C)C2)n(C)n1 ZINC000089180766 179744900 /nfs/dbraw/zinc/74/49/00/179744900.db2.gz RNEQDWCVDASQJM-FZMZJTMJSA-N 1 0 251.374 2.153 10 0 CEAERO Cc1cc(COc2cccc3c2CC[C@@H]3[NH3+])n(C)n1 ZINC000089181538 179745127 /nfs/dbraw/zinc/74/51/27/179745127.db2.gz PABLETWDNQPNCA-AWEZNQCLSA-N 1 0 257.337 2.254 10 0 CEAERO CCc1cc(C[C@@H](Cc2csc(C)n2)[NH2+]C)n(C)n1 ZINC000089194343 179750664 /nfs/dbraw/zinc/75/06/64/179750664.db2.gz YMYAKGOCANYBTL-GFCCVEGCSA-N 1 0 278.425 2.121 10 0 CEAERO C[C@H]1C[C@@H](O)C[N@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000401915715 233186394 /nfs/dbraw/zinc/18/63/94/233186394.db2.gz SNMAIMDNDKKDCT-IINYFYTJSA-N 1 0 281.783 2.478 10 0 CEAERO CCC[NH2+][C@H](Cc1cc(C)nn1CC)c1cnn(C)c1 ZINC000089199185 179751594 /nfs/dbraw/zinc/75/15/94/179751594.db2.gz UUFYLDGTIJDDNS-OAHLLOKOSA-N 1 0 275.400 2.228 10 0 CEAERO CC[NH2+][C@H](CCCOC)Cc1cc(C)nn1CC ZINC000089198619 179751707 /nfs/dbraw/zinc/75/17/07/179751707.db2.gz MQXTUXHSLPRYDT-CYBMUJFWSA-N 1 0 253.390 2.159 10 0 CEAERO CC[NH2+][C@@H](CSCC)Cc1cc(C)nn1CC ZINC000089198651 179751712 /nfs/dbraw/zinc/75/17/12/179751712.db2.gz IBAYKTDYTJJNDY-GFCCVEGCSA-N 1 0 255.431 2.485 10 0 CEAERO CC(=O)Nc1ccc(C)c(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000089451446 539715928 /nfs/dbraw/zinc/71/59/28/539715928.db2.gz ZELBBMIJGHVHSJ-GXTWGEPZSA-N 1 0 289.379 2.267 10 0 CEAERO CCOc1ccc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089448712 539716381 /nfs/dbraw/zinc/71/63/81/539716381.db2.gz WUYQXFWCTPKLEA-RISCZKNCSA-N 1 0 262.353 2.399 10 0 CEAERO CCOc1cc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])ccc1OC ZINC000089454047 539716622 /nfs/dbraw/zinc/71/66/22/539716622.db2.gz QZSYHFFQGWITDU-AAEUAGOBSA-N 1 0 292.379 2.407 10 0 CEAERO COCc1ccccc1NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089451766 539717224 /nfs/dbraw/zinc/71/72/24/539717224.db2.gz YZXWTUDQMDMLAZ-AAEUAGOBSA-N 1 0 262.353 2.147 10 0 CEAERO CC(C)N(Cc1ccccn1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089457209 539717442 /nfs/dbraw/zinc/71/74/42/539717442.db2.gz JHDGTXAEPLPUSV-HIFRSBDPSA-N 1 0 275.396 2.194 10 0 CEAERO CC[C@H]1CN(Cc2cc(C)nn2C)[C@@](C)(CC)C[NH2+]1 ZINC000089209861 179755234 /nfs/dbraw/zinc/75/52/34/179755234.db2.gz TTYYJZJPJRCOIX-ZFWWWQNUSA-N 1 0 264.417 2.081 10 0 CEAERO Cc1csc([C@H](C)NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000089463163 539718913 /nfs/dbraw/zinc/71/89/13/539718913.db2.gz PBSRXGFYYSOUHH-HBNTYKKESA-N 1 0 267.398 2.004 10 0 CEAERO CCc1nn(C)c(CN(CCC(N)=[NH2+])C(C)C)c1Cl ZINC000089320316 179769208 /nfs/dbraw/zinc/76/92/08/179769208.db2.gz NANIXGYKMXAAMY-UHFFFAOYSA-N 1 0 285.823 2.172 10 0 CEAERO CCc1nn(C)c(CN(CCC(N)=[NH2+])CC(C)C)c1Cl ZINC000089320325 179769429 /nfs/dbraw/zinc/76/94/29/179769429.db2.gz ARLVNDHBJHUEAS-UHFFFAOYSA-N 1 0 299.850 2.420 10 0 CEAERO C[C@@H]1CN(C(=O)[C@@H]2CCCC[C@@H]2C[NH3+])C[C@H](C)S1 ZINC000089400225 179781422 /nfs/dbraw/zinc/78/14/22/179781422.db2.gz CKMVCLDELOSNHM-YVECIDJPSA-N 1 0 270.442 2.104 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCc1cccc(Cl)c1 ZINC000089450604 179792408 /nfs/dbraw/zinc/79/24/08/179792408.db2.gz PLKSGUUVJXNSMC-WCQYABFASA-N 1 0 266.772 2.331 10 0 CEAERO CN(Cc1ccc(F)cc1F)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089455900 179794134 /nfs/dbraw/zinc/79/41/34/179794134.db2.gz ODLYHZFNJPSPLG-MFKMUULPSA-N 1 0 282.334 2.298 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCc1ccc(OC(F)F)cc1 ZINC000089459547 179795289 /nfs/dbraw/zinc/79/52/89/179795289.db2.gz FUQOFVMVQLUUOL-WCQYABFASA-N 1 0 298.333 2.279 10 0 CEAERO Cc1nc2cc(NC(=O)[C@H]3CCC[C@H]3C[NH3+])ccc2o1 ZINC000089459823 179795336 /nfs/dbraw/zinc/79/53/36/179795336.db2.gz YDCWTJLPDOWHKE-JQWIXIFHSA-N 1 0 273.336 2.450 10 0 CEAERO CC(C)c1nc(COC[C@@H]2CCC[C@H]2C[NH3+])no1 ZINC000089536312 179812267 /nfs/dbraw/zinc/81/22/67/179812267.db2.gz VFOHXCXLLYCEDE-QWRGUYRKSA-N 1 0 253.346 2.085 10 0 CEAERO COc1ccc(OCCOC[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089536965 179813040 /nfs/dbraw/zinc/81/30/40/179813040.db2.gz BVYQCZCLTWHYNG-KBPBESRZSA-N 1 0 279.380 2.466 10 0 CEAERO Cc1cccc(NC(=O)COC[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089536507 179813133 /nfs/dbraw/zinc/81/31/33/179813133.db2.gz GBIUFHHTWUZKCS-ZIAGYGMSSA-N 1 0 276.380 2.325 10 0 CEAERO Cc1cc(C[NH2+]C[C@@H]2CCC[C@H]2CO)c(C)n1C ZINC000089490562 179802335 /nfs/dbraw/zinc/80/23/35/179802335.db2.gz ICKSUSFKPCVZNX-KBPBESRZSA-N 1 0 250.386 2.140 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1CNC(=O)c1ccc2ccccc2n1 ZINC000089500548 179804982 /nfs/dbraw/zinc/80/49/82/179804982.db2.gz RDRFPYFKYCGFRU-KBPBESRZSA-N 1 0 283.375 2.340 10 0 CEAERO Cc1cc(C(=O)NC[C@@H]2CCC[C@@H]2C[NH3+])c(C)o1 ZINC000089500486 179804998 /nfs/dbraw/zinc/80/49/98/179804998.db2.gz RAOQOUPAGBJPFO-NEPJUHHUSA-N 1 0 250.342 2.001 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1CNC(=O)c1ccc2ccccc2n1 ZINC000089500547 179805018 /nfs/dbraw/zinc/80/50/18/179805018.db2.gz RDRFPYFKYCGFRU-ZIAGYGMSSA-N 1 0 283.375 2.340 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1CNC(=O)CCc1ccco1 ZINC000089530456 179810568 /nfs/dbraw/zinc/81/05/68/179810568.db2.gz KINVVODZQKSVJU-QWHCGFSZSA-N 1 0 264.369 2.094 10 0 CEAERO CCCC1([NH3+])CN(C(=O)Nc2ccc(F)cc2)C1 ZINC000089655338 179841676 /nfs/dbraw/zinc/84/16/76/179841676.db2.gz RLYOKGATYRANTB-UHFFFAOYSA-N 1 0 251.305 2.171 10 0 CEAERO CCc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2C[NH3+])n(CC)n1 ZINC000090138898 179918991 /nfs/dbraw/zinc/91/89/91/179918991.db2.gz SWQVDSZKOTUFQP-OCCSQVGLSA-N 1 0 292.427 2.055 10 0 CEAERO CCN(C1C[NH2+]C1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000090290900 179950728 /nfs/dbraw/zinc/95/07/28/179950728.db2.gz AFZBPQXSCCZYJV-VHSXEESVSA-N 1 0 250.308 2.401 10 0 CEAERO CCCN(C(=O)c1sccc1CC)C1C[NH2+]C1 ZINC000090292876 179951397 /nfs/dbraw/zinc/95/13/97/179951397.db2.gz OSUPFZNUUWDLQC-UHFFFAOYSA-N 1 0 252.383 2.135 10 0 CEAERO CCCN(Cc1cnn(-c2ccccc2)c1)C1C[NH2+]C1 ZINC000090292537 179951402 /nfs/dbraw/zinc/95/14/02/179951402.db2.gz QGJALJIVDHJEQP-UHFFFAOYSA-N 1 0 270.380 2.056 10 0 CEAERO CCCN(c1cccc(C(F)(F)F)n1)C1C[NH2+]C1 ZINC000090294099 179952008 /nfs/dbraw/zinc/95/20/08/179952008.db2.gz RUBFHLNVVPUSGJ-UHFFFAOYSA-N 1 0 259.275 2.289 10 0 CEAERO CCC[NH2+][C@@H]1CCN([C@H](C)c2ccc(OC)cc2)C1=O ZINC000090340396 179967500 /nfs/dbraw/zinc/96/75/00/179967500.db2.gz LJUBFVGJLAHQKI-IUODEOHRSA-N 1 0 276.380 2.357 10 0 CEAERO COC(=O)c1oc(CSCC[C@H](C)[NH3+])cc1C ZINC000090346815 179970571 /nfs/dbraw/zinc/97/05/71/179970571.db2.gz VNGGKDKHNYTRFX-VIFPVBQESA-N 1 0 257.355 2.345 10 0 CEAERO C[C@@H](CNC(=O)CSC[C@@H](C)C[NH3+])c1ccccc1 ZINC000090350380 179971855 /nfs/dbraw/zinc/97/18/55/179971855.db2.gz HMMHXVTVECRFHG-STQMWFEESA-N 1 0 280.437 2.234 10 0 CEAERO C[C@H](C[NH3+])CSC[C@H]1COc2ccccc2O1 ZINC000090350025 179971996 /nfs/dbraw/zinc/97/19/96/179971996.db2.gz ZBAWELOZVDOVTO-GHMZBOCLSA-N 1 0 253.367 2.154 10 0 CEAERO C[C@@H](C[NH3+])CSCC(=O)Nc1cc(F)cc(F)c1 ZINC000090351136 179972459 /nfs/dbraw/zinc/97/24/59/179972459.db2.gz FDUZICDSVVSHTI-QMMMGPOBSA-N 1 0 274.336 2.231 10 0 CEAERO C[C@H](CC[NH3+])SCCn1c2ccccc2oc1=O ZINC000090354347 179973427 /nfs/dbraw/zinc/97/34/27/179973427.db2.gz BAEUQMTYJHGQAE-SNVBAGLBSA-N 1 0 266.366 2.065 10 0 CEAERO CC[C@H]([NH3+])CSCC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000090356388 179974852 /nfs/dbraw/zinc/97/48/52/179974852.db2.gz LUZQDSPEZAITBZ-SDDRHHMPSA-N 1 0 258.431 2.152 10 0 CEAERO Cc1ccc2c(c1)nc([C@@H]1COC[C@@H]1[NH3+])n2C(C)C ZINC000090363675 179977607 /nfs/dbraw/zinc/97/76/07/179977607.db2.gz ZPJRKNFTZIORLY-NEPJUHHUSA-N 1 0 259.353 2.367 10 0 CEAERO COc1ccc([C@@H](C)NC(=O)C[NH2+]C2CCCC2)cc1 ZINC000090310182 179954528 /nfs/dbraw/zinc/95/45/28/179954528.db2.gz MVKYKZNOJWOGHZ-GFCCVEGCSA-N 1 0 276.380 2.405 10 0 CEAERO COc1cc(C[NH2+]CC2CC(O)C2)ccc1Cl ZINC000623749174 350101057 /nfs/dbraw/zinc/10/10/57/350101057.db2.gz XQVLMZULNUFDBO-UHFFFAOYSA-N 1 0 255.745 2.209 10 0 CEAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000623765095 350106225 /nfs/dbraw/zinc/10/62/25/350106225.db2.gz NPZYCSYXQZWLEL-JKSUJKDBSA-N 1 0 257.333 2.079 10 0 CEAERO CC[NH2+][C@H]1COC[C@@H]1CN(C)c1ccc(CC)cc1 ZINC000090494636 179993023 /nfs/dbraw/zinc/99/30/23/179993023.db2.gz QYWSBQKJWWMADX-HOCLYGCPSA-N 1 0 262.397 2.310 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1c1nc2cccnc2n1CCC ZINC000090527323 179997949 /nfs/dbraw/zinc/99/79/49/179997949.db2.gz VDCMCVDIQKZQIA-GXTWGEPZSA-N 1 0 288.395 2.323 10 0 CEAERO Fc1ccc(-c2nc(CSCC3C[NH2+]C3)no2)cc1 ZINC000090713243 180028499 /nfs/dbraw/zinc/02/84/99/180028499.db2.gz SSTFAGMKXIRHIA-UHFFFAOYSA-N 1 0 279.340 2.328 10 0 CEAERO COc1ncnc(OC)c1C[NH2+]CC1(C)CCCC1 ZINC000104436412 186001395 /nfs/dbraw/zinc/00/13/95/186001395.db2.gz QALABRGNUMCWIH-UHFFFAOYSA-N 1 0 265.357 2.164 10 0 CEAERO C[C@@]1(c2nc3c(cccc3F)n2C2CC2)COC[C@@H]1[NH3+] ZINC000090571797 180007841 /nfs/dbraw/zinc/00/78/41/180007841.db2.gz HMWGGKWIJUQIBE-SWLSCSKDSA-N 1 0 275.327 2.126 10 0 CEAERO C[C@]1(C(=O)Nc2cccc(Cl)c2Cl)COC[C@H]1[NH3+] ZINC000090581942 180008270 /nfs/dbraw/zinc/00/82/70/180008270.db2.gz URFZFVHDGRWCTD-SKDRFNHKSA-N 1 0 289.162 2.296 10 0 CEAERO C[C@@]1(C(=O)Nc2cccc(Cl)c2Cl)COC[C@@H]1[NH3+] ZINC000090581939 180008867 /nfs/dbraw/zinc/00/88/67/180008867.db2.gz URFZFVHDGRWCTD-JOYOIKCWSA-N 1 0 289.162 2.296 10 0 CEAERO CCN(c1ccc(C)cc1)[C@@H](C[NH3+])CC(OC)OC ZINC000090625275 180015409 /nfs/dbraw/zinc/01/54/09/180015409.db2.gz ICEJXUXEMRRJOR-CQSZACIVSA-N 1 0 266.385 2.158 10 0 CEAERO COC(C[C@@H](C[NH3+])Nc1ccccc1Cl)OC ZINC000090625450 180015784 /nfs/dbraw/zinc/01/57/84/180015784.db2.gz BUJJUEKIOYCIPV-VIFPVBQESA-N 1 0 258.749 2.088 10 0 CEAERO COC(C[C@H](C[NH3+])Nc1ccccc1Cl)OC ZINC000090625451 180015829 /nfs/dbraw/zinc/01/58/29/180015829.db2.gz BUJJUEKIOYCIPV-SECBINFHSA-N 1 0 258.749 2.088 10 0 CEAERO CCC[NH2+][C@@H]1CCOC[C@H]1O[C@@H](C)C(F)(F)F ZINC000090672286 180021202 /nfs/dbraw/zinc/02/12/02/180021202.db2.gz PFPVGYQLYORGMT-IVZWLZJFSA-N 1 0 255.280 2.111 10 0 CEAERO COc1ccc(CO[C@H](C)C(F)(F)F)cc1C(N)=[NH2+] ZINC000090673197 180021845 /nfs/dbraw/zinc/02/18/45/180021845.db2.gz MLNHFRZWBBAHIQ-SSDOTTSWSA-N 1 0 276.258 2.447 10 0 CEAERO CCOC(=O)[C@](C)([NH3+])CCCO[C@H](C)C(F)(F)F ZINC000090674610 180022397 /nfs/dbraw/zinc/02/23/97/180022397.db2.gz PSFLNDNYJCCADW-PSASIEDQSA-N 1 0 271.279 2.015 10 0 CEAERO CC(C)CC(=O)N1CCCSC[C@H]1C[NH+]1CCCC1 ZINC000090700527 180027792 /nfs/dbraw/zinc/02/77/92/180027792.db2.gz UGFVPKRWUJJWLA-CQSZACIVSA-N 1 0 284.469 2.462 10 0 CEAERO C[NH+](C)C[C@H]1CSCCCN1C(=O)c1ccc(F)cc1 ZINC000090699849 180027998 /nfs/dbraw/zinc/02/79/98/180027998.db2.gz QMRSUDLAFDFNDX-AWEZNQCLSA-N 1 0 296.411 2.335 10 0 CEAERO CC(C)(C)[NH2+]C[C@@H]1CCN(CCc2cscn2)C1 ZINC000104441276 186002986 /nfs/dbraw/zinc/00/29/86/186002986.db2.gz YMILBFXBPRRJAQ-LBPRGKRZSA-N 1 0 267.442 2.396 10 0 CEAERO [NH2+]=C(NCCc1cscn1)NC1CCCCC1 ZINC000104442519 186004023 /nfs/dbraw/zinc/00/40/23/186004023.db2.gz JHKMVEYMAMPBCU-UHFFFAOYSA-N 1 0 252.387 2.132 10 0 CEAERO COC(=O)c1cc(N[C@@H](CC(C)C)C[NH+](C)C)ccn1 ZINC000090737752 180034148 /nfs/dbraw/zinc/03/41/48/180034148.db2.gz LWRJPACCUUOXOH-ZDUSSCGKSA-N 1 0 279.384 2.256 10 0 CEAERO [NH3+]Cc1cccc(CNc2ncncc2Br)c1 ZINC000090780605 180038702 /nfs/dbraw/zinc/03/87/02/180038702.db2.gz OWTMHXHUPKZUPU-UHFFFAOYSA-N 1 0 293.168 2.310 10 0 CEAERO CCCOc1cc(OCCC[NH2+]C(C)C)ncn1 ZINC000090785395 180040208 /nfs/dbraw/zinc/04/02/08/180040208.db2.gz PTVDREHULQPYJS-UHFFFAOYSA-N 1 0 253.346 2.032 10 0 CEAERO CCOc1cc(N2CCC[C@@H]2C[NH2+]CC(C)C)ncn1 ZINC000090784607 180040224 /nfs/dbraw/zinc/04/02/24/180040224.db2.gz SDNFBYOPROYLNT-CYBMUJFWSA-N 1 0 278.400 2.090 10 0 CEAERO CCCOc1cc(NC(CC)(CC)C[NH3+])ncn1 ZINC000090785222 180040288 /nfs/dbraw/zinc/04/02/88/180040288.db2.gz SCGXYVRVLHPPHM-UHFFFAOYSA-N 1 0 252.362 2.195 10 0 CEAERO CCOc1cc(N2CCC[C@H]2C[NH2+]C(C)C)nc(C)n1 ZINC000090788129 180041379 /nfs/dbraw/zinc/04/13/79/180041379.db2.gz UJRYMRBFCYXCJY-ZDUSSCGKSA-N 1 0 278.400 2.151 10 0 CEAERO CCOc1cc(N(C)CC[NH2+]C(C)(C)C)nc(C)n1 ZINC000090788124 180041466 /nfs/dbraw/zinc/04/14/66/180041466.db2.gz GBTXKNJOWFGXKU-UHFFFAOYSA-N 1 0 266.389 2.008 10 0 CEAERO CCOc1ncnc(N[C@H]2CCC[N@H+](CC)C2)c1C ZINC000090790926 180041868 /nfs/dbraw/zinc/04/18/68/180041868.db2.gz OKJCCUJVAIQOCQ-LBPRGKRZSA-N 1 0 264.373 2.080 10 0 CEAERO C[NH2+][C@H]1C[C@@H](OC2CCOCC2)C12CCCCC2 ZINC000090862599 180047106 /nfs/dbraw/zinc/04/71/06/180047106.db2.gz QQCNPMHLTUWBGD-UONOGXRCSA-N 1 0 253.386 2.493 10 0 CEAERO COCCN(CCC(N)=[NH2+])c1snc2ccccc21 ZINC000090869005 180049178 /nfs/dbraw/zinc/04/91/78/180049178.db2.gz YGVRPKLEBRWOII-UHFFFAOYSA-N 1 0 278.381 2.075 10 0 CEAERO CC(C)(C[NH3+])N1CCN(c2snc3ccccc32)CC1 ZINC000090868878 180049268 /nfs/dbraw/zinc/04/92/68/180049268.db2.gz GERDCSJYSJBJMO-UHFFFAOYSA-N 1 0 290.436 2.156 10 0 CEAERO CC[NH2+]Cc1cccc(SCC(=O)N[C@@H](C)COC)c1 ZINC000090871281 180049288 /nfs/dbraw/zinc/04/92/88/180049288.db2.gz XLWGOCQAFHXJQQ-LBPRGKRZSA-N 1 0 296.436 2.039 10 0 CEAERO C[NH2+]Cc1cccc(S[C@H](C)C(=O)NC2CC2)c1 ZINC000090870786 180049524 /nfs/dbraw/zinc/04/95/24/180049524.db2.gz VBPQSTQHCQQYQI-SNVBAGLBSA-N 1 0 264.394 2.165 10 0 CEAERO COC(=O)CSc1cccc(C[NH2+]C(C)C)c1 ZINC000090871750 180049636 /nfs/dbraw/zinc/04/96/36/180049636.db2.gz YWYOOPQYRULKPM-UHFFFAOYSA-N 1 0 253.367 2.450 10 0 CEAERO CCC[NH2+]Cc1cccc(S[C@H]2CCS(=O)(=O)C2)c1 ZINC000090871713 180050303 /nfs/dbraw/zinc/05/03/03/180050303.db2.gz KCIWGCAUCIBVTG-AWEZNQCLSA-N 1 0 299.461 2.465 10 0 CEAERO CCN(CC[NH2+]C(C)C)C[C@@H]1Cc2ccccc2O1 ZINC000090875326 180050580 /nfs/dbraw/zinc/05/05/80/180050580.db2.gz VVSXJAVOJKYOTI-HNNXBMFYSA-N 1 0 262.397 2.310 10 0 CEAERO CC[NH2+]C[C@H]1CCCCN1C[C@@H]1Cc2ccccc2O1 ZINC000090875369 180050971 /nfs/dbraw/zinc/05/09/71/180050971.db2.gz PFUZWDQVDGXTKR-CVEARBPZSA-N 1 0 274.408 2.454 10 0 CEAERO NC(=[NH2+])c1ccc(OC[C@@H]2Cc3ccccc3O2)cc1 ZINC000090875237 180051112 /nfs/dbraw/zinc/05/11/12/180051112.db2.gz PUJSBOLAPSGKEK-AWEZNQCLSA-N 1 0 268.316 2.353 10 0 CEAERO c1cc(C[NH2+]C2CC2)n(C[C@H]2Cc3ccccc3O2)n1 ZINC000090877784 180052396 /nfs/dbraw/zinc/05/23/96/180052396.db2.gz HDXZDUVVLQBFFR-OAHLLOKOSA-N 1 0 269.348 2.139 10 0 CEAERO Fc1ccc2c(c1)C[C@H](C[NH2+]Cc1ccncc1)O2 ZINC000090892057 180054015 /nfs/dbraw/zinc/05/40/15/180054015.db2.gz HCTXFVCNXRHYQT-CQSZACIVSA-N 1 0 258.296 2.314 10 0 CEAERO Cc1nccc(C[NH2+]C[C@H]2Cc3cc(F)ccc3O2)n1 ZINC000090892258 180054299 /nfs/dbraw/zinc/05/42/99/180054299.db2.gz SJEKTPXOUASXNS-CQSZACIVSA-N 1 0 273.311 2.017 10 0 CEAERO C[C@@H]1CCC[C@H](C[NH3+])N1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893473 180054801 /nfs/dbraw/zinc/05/48/01/180054801.db2.gz NSGCYPMAUIEEKY-DFBGVHRSSA-N 1 0 278.371 2.331 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893494 180055323 /nfs/dbraw/zinc/05/53/23/180055323.db2.gz HOSLMAXNFTZBES-CABCVRRESA-N 1 0 278.371 2.203 10 0 CEAERO Cc1nn(C[C@H]2Cc3cc(F)ccc3O2)c(C)c1CC[NH3+] ZINC000090895268 180056479 /nfs/dbraw/zinc/05/64/79/180056479.db2.gz QGDFOHCIUYORRZ-CQSZACIVSA-N 1 0 289.354 2.144 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[NH2+][C@@H](CN(C)C)C(C)C)O2 ZINC000090897648 180057326 /nfs/dbraw/zinc/05/73/26/180057326.db2.gz NCSUGWIGIJOFGI-CVEARBPZSA-N 1 0 276.424 2.474 10 0 CEAERO CC[NH2+]C[C@@H]1CCCN1C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090898953 180058020 /nfs/dbraw/zinc/05/80/20/180058020.db2.gz HQJKYATUJKQQSJ-HOTGVXAUSA-N 1 0 274.408 2.372 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[NH2+]C[C@H]1CCC[C@@H]1CO)O2 ZINC000090898280 180058076 /nfs/dbraw/zinc/05/80/76/180058076.db2.gz YCQIYKIFLFBDRH-IIAWOOMASA-N 1 0 275.392 2.297 10 0 CEAERO CCCCN(CC[NH3+])C[C@H]1Cc2cc(C)ccc2O1 ZINC000090898942 180058160 /nfs/dbraw/zinc/05/81/60/180058160.db2.gz MMQWWVFUZWHMFQ-OAHLLOKOSA-N 1 0 262.397 2.359 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](C[N@@H+]1CCC[C@@H]1C(N)=S)O2 ZINC000090898439 180058503 /nfs/dbraw/zinc/05/85/03/180058503.db2.gz GSDUJJYRZVWADG-QWHCGFSZSA-N 1 0 276.405 2.049 10 0 CEAERO COC(=O)CC[N@H+](C)C[C@H]1Cc2cc(Cl)ccc2O1 ZINC000090900858 180059063 /nfs/dbraw/zinc/05/90/63/180059063.db2.gz IPCGDDGEOWSCMB-GFCCVEGCSA-N 1 0 283.755 2.138 10 0 CEAERO C[C@@H]1CCN(C[C@@H]2Cc3cc(Cl)ccc3O2)C[C@@H]1[NH3+] ZINC000090900191 180059241 /nfs/dbraw/zinc/05/92/41/180059241.db2.gz XEXOOBMLGIDLSM-SWHYSGLUSA-N 1 0 280.799 2.313 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](CN1CC[NH2+][C@@](C)(C3CC3)C1)O2 ZINC000090902440 180059638 /nfs/dbraw/zinc/05/96/38/180059638.db2.gz OESTWPZYQMHRJP-FUHWJXTLSA-N 1 0 286.419 2.372 10 0 CEAERO Cc1oc(CN2C[C@H]3CC[C@@H](C2)O3)cc1C[NH2+]C(C)C ZINC000090907856 180061955 /nfs/dbraw/zinc/06/19/55/180061955.db2.gz ZCDTUSVVMFFQKN-GASCZTMLSA-N 1 0 278.396 2.449 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)c2csc(CC[NH3+])n2)o1 ZINC000090948099 180071317 /nfs/dbraw/zinc/07/13/17/180071317.db2.gz QQIOJLACVHUHKE-VIFPVBQESA-N 1 0 279.365 2.037 10 0 CEAERO Cc1cc([C@@H](C)NC(=O)c2csc(CC[NH3+])n2)c(C)o1 ZINC000090953230 180073591 /nfs/dbraw/zinc/07/35/91/180073591.db2.gz KWWSTYMCTYZCQZ-SECBINFHSA-N 1 0 293.392 2.345 10 0 CEAERO C[C@@H]1CCCCC[C@@H]1NC(=O)c1csc(CC[NH3+])n1 ZINC000090957662 180074999 /nfs/dbraw/zinc/07/49/99/180074999.db2.gz IZQGLEIWNFJTSU-MNOVXSKESA-N 1 0 281.425 2.343 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+][C@@H](C)CN1CCCC1 ZINC000090960438 180075305 /nfs/dbraw/zinc/07/53/05/180075305.db2.gz YUGPXYQZNDZCSV-NSHDSACASA-N 1 0 281.425 2.280 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000090960128 180075341 /nfs/dbraw/zinc/07/53/41/180075341.db2.gz JWCIYKIVCMYMMX-MNOVXSKESA-N 1 0 268.382 2.100 10 0 CEAERO CC(C)C[C@H](C[NH2+]Cc1sccc1N)N1CCOCC1 ZINC000090959190 180075664 /nfs/dbraw/zinc/07/56/64/180075664.db2.gz QIYOTCWNTIZMFO-CYBMUJFWSA-N 1 0 297.468 2.167 10 0 CEAERO Nc1ccccc1C[NH2+][C@@H]1CCC[C@H]1n1ccnc1 ZINC000090961941 180076385 /nfs/dbraw/zinc/07/63/85/180076385.db2.gz DCGGDHLBLQQWJY-HUUCEWRRSA-N 1 0 256.353 2.349 10 0 CEAERO NC(=S)[C@H]1CCC[N@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000090977091 180078830 /nfs/dbraw/zinc/07/88/30/180078830.db2.gz WTMLUNGOOFOKBQ-STQMWFEESA-N 1 0 260.406 2.324 10 0 CEAERO [NH3+]CCOc1ccccc1NC(=O)[C@@H]1Cc2ccccc21 ZINC000090982586 180079318 /nfs/dbraw/zinc/07/93/18/180079318.db2.gz VXOFUIVLHJFBAP-CQSZACIVSA-N 1 0 282.343 2.303 10 0 CEAERO CN(C(=O)[C@@H]1Cc2ccccc21)c1cccc(C[NH3+])c1 ZINC000090982657 180079332 /nfs/dbraw/zinc/07/93/32/180079332.db2.gz DOFPQAGTEBOTEG-MRXNPFEDSA-N 1 0 266.344 2.448 10 0 CEAERO C[NH2+]Cc1cccn1Cc1ccn(-c2ccccc2)n1 ZINC000090995777 180082787 /nfs/dbraw/zinc/08/27/87/180082787.db2.gz FPKBPIIJUOYABU-UHFFFAOYSA-N 1 0 266.348 2.442 10 0 CEAERO [NH3+]Cc1ccn(Cc2ccn(-c3ccccc3)n2)c1 ZINC000090995235 180082891 /nfs/dbraw/zinc/08/28/91/180082891.db2.gz UKPJCPTUFHQYTR-UHFFFAOYSA-N 1 0 252.321 2.181 10 0 CEAERO CC(C)(C)[NH2+]Cc1cccn1CC(=O)N1CCCCC1 ZINC000091001731 180083410 /nfs/dbraw/zinc/08/34/10/180083410.db2.gz QXNQJPJJQWHIIH-UHFFFAOYSA-N 1 0 277.412 2.389 10 0 CEAERO CCOC(=O)[C@@H](CC)n1ccnc1C[NH2+]CC(C)C ZINC000091002829 180083929 /nfs/dbraw/zinc/08/39/29/180083929.db2.gz OTMFOGLNTANADG-GFCCVEGCSA-N 1 0 267.373 2.143 10 0 CEAERO CCCCOCCn1cccc1C[NH2+]CCOC ZINC000091002105 180084022 /nfs/dbraw/zinc/08/40/22/180084022.db2.gz JUTSDUWUOBMBMT-UHFFFAOYSA-N 1 0 254.374 2.041 10 0 CEAERO CCc1nn(C)c(Cn2cccc2C[C@H](C)[NH3+])c1Cl ZINC000091005350 180084661 /nfs/dbraw/zinc/08/46/61/180084661.db2.gz AGZPTGIOPPDALF-JTQLQIEISA-N 1 0 280.803 2.375 10 0 CEAERO CCN(CCc1ccccc1)C(=O)C[NH2+]C(C)(C)C ZINC000091015728 180086038 /nfs/dbraw/zinc/08/60/38/180086038.db2.gz ZGLYLYSWEUNQHH-UHFFFAOYSA-N 1 0 262.397 2.466 10 0 CEAERO CCC[NH2+]Cc1cn(CCOCCOC)c2ncccc12 ZINC000091020322 180087815 /nfs/dbraw/zinc/08/78/15/180087815.db2.gz ZZGQYICIMWKTOD-UHFFFAOYSA-N 1 0 291.395 2.199 10 0 CEAERO C[NH2+]Cc1cn(Cc2cccnc2)c2ncccc12 ZINC000091019259 180088256 /nfs/dbraw/zinc/08/82/56/180088256.db2.gz DBCIDKZHUYWCES-UHFFFAOYSA-N 1 0 252.321 2.199 10 0 CEAERO CC(C)C[NH2+]Cc1cn(C[C@@H](C)O)c2ncccc12 ZINC000091021160 180088554 /nfs/dbraw/zinc/08/85/54/180088554.db2.gz VHNNATTXLAOHMO-GFCCVEGCSA-N 1 0 261.369 2.163 10 0 CEAERO CC[C@@H](C)c1noc(-c2csc(CC[NH3+])n2)n1 ZINC000090939062 180068338 /nfs/dbraw/zinc/06/83/38/180068338.db2.gz XBSQJJBHUGHCLA-SSDOTTSWSA-N 1 0 252.343 2.208 10 0 CEAERO Cc1ccc(F)cc1NC(=O)c1csc(CC[NH3+])n1 ZINC000090945988 180069698 /nfs/dbraw/zinc/06/96/98/180069698.db2.gz AFIGMCCMYIXMQU-UHFFFAOYSA-N 1 0 279.340 2.344 10 0 CEAERO C[C@@H]1CC[C@H](c2noc(C[C@@H]3CSCC[NH2+]3)n2)C1 ZINC000091129245 180100853 /nfs/dbraw/zinc/10/08/53/180100853.db2.gz UZPFGXULERNTSN-OUAUKWLOSA-N 1 0 267.398 2.221 10 0 CEAERO CCN(CC[C@@H]1C[NH2+]CCO1)c1ccccc1F ZINC000091314101 180133724 /nfs/dbraw/zinc/13/37/24/180133724.db2.gz ISBMKNSNPQIKNX-GFCCVEGCSA-N 1 0 252.333 2.031 10 0 CEAERO CC(C)(C)NC(=O)C[C@H](C[NH3+])Nc1ccc(Cl)cc1 ZINC000091321797 180134355 /nfs/dbraw/zinc/13/43/55/180134355.db2.gz YDJAJRJVMUSOQX-GFCCVEGCSA-N 1 0 283.803 2.384 10 0 CEAERO CCN(CC)C(=O)C[C@@H](C[NH3+])N(CC)c1cccc(C)c1 ZINC000091322708 180134546 /nfs/dbraw/zinc/13/45/46/180134546.db2.gz BDRPSNACUHDALJ-INIZCTEOSA-N 1 0 291.439 2.407 10 0 CEAERO Cc1ccc(N[C@H](C[NH3+])CC(=O)N2CCCCC2)cc1 ZINC000091325669 180135116 /nfs/dbraw/zinc/13/51/16/180135116.db2.gz UHUJBVKRMKVXCS-HNNXBMFYSA-N 1 0 275.396 2.137 10 0 CEAERO CCCCn1ncc(C[NH2+]CCOC)c1C1CC1 ZINC000091337722 180136477 /nfs/dbraw/zinc/13/64/77/180136477.db2.gz MBCWQPFIVURLBU-UHFFFAOYSA-N 1 0 251.374 2.297 10 0 CEAERO CCCn1ncc(C[NH2+]CCOC)c1C(F)(F)F ZINC000091337367 180136550 /nfs/dbraw/zinc/13/65/50/180136550.db2.gz IMCIFLHAHVFNKK-UHFFFAOYSA-N 1 0 265.279 2.048 10 0 CEAERO O=C(NCc1cccnc1)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091359218 180140622 /nfs/dbraw/zinc/14/06/22/180140622.db2.gz HRZZNTKCXCZJHP-KKUMJFAQSA-N 1 0 273.380 2.009 10 0 CEAERO CCOc1ccc([C@@H]([NH3+])CSC[C@H](C)CO)cc1 ZINC000091260442 180115808 /nfs/dbraw/zinc/11/58/08/180115808.db2.gz FFIQGPGGLCKYSU-RISCZKNCSA-N 1 0 269.410 2.447 10 0 CEAERO COc1ccccc1[C@H]([NH3+])CSC[C@@H](C)CO ZINC000091261600 180115889 /nfs/dbraw/zinc/11/58/89/180115889.db2.gz GEKRVWGFVHOIFC-CMPLNLGQSA-N 1 0 255.383 2.057 10 0 CEAERO CCOc1ccccc1[C@@H]([NH3+])CSC[C@H](C)CO ZINC000091261587 180115950 /nfs/dbraw/zinc/11/59/50/180115950.db2.gz OFWBCAGVBPWNLJ-YPMHNXCESA-N 1 0 269.410 2.447 10 0 CEAERO COc1cccc([C@H](C[NH3+])S[C@H](C)CCO)c1 ZINC000091262186 180116483 /nfs/dbraw/zinc/11/64/83/180116483.db2.gz VYMYZLKPEPXLTH-MFKMUULPSA-N 1 0 255.383 2.199 10 0 CEAERO c1ncn(C2CC2)c1CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000091277009 180119926 /nfs/dbraw/zinc/11/99/26/180119926.db2.gz SGFPTHWVGRWDFM-CJNGLKHVSA-N 1 0 274.412 2.182 10 0 CEAERO C[C@@H]1CN([C@@H](C[NH3+])c2cncn2C2CC2)C[C@H](C)S1 ZINC000091276593 180120446 /nfs/dbraw/zinc/12/04/46/180120446.db2.gz WKNQPVNUDPCHAE-LOWVWBTDSA-N 1 0 280.441 2.044 10 0 CEAERO [NH3+]C[C@H](c1cncn1C1CC1)N1CCCCCCC1 ZINC000091276207 180120475 /nfs/dbraw/zinc/12/04/75/180120475.db2.gz VKHPMUZYVBSRNU-CQSZACIVSA-N 1 0 262.401 2.484 10 0 CEAERO COc1ccccc1N[C@H](C[NH3+])c1cncn1C1CC1 ZINC000091276637 180120560 /nfs/dbraw/zinc/12/05/60/180120560.db2.gz YYXZRZMEDYHEJX-CYBMUJFWSA-N 1 0 272.352 2.339 10 0 CEAERO Cn1cncc1COc1ccc(Cl)cc1C[NH3+] ZINC000091278239 180120891 /nfs/dbraw/zinc/12/08/91/180120891.db2.gz GYFXYPVRVRDJDQ-UHFFFAOYSA-N 1 0 251.717 2.111 10 0 CEAERO Fc1ccc2c(c1)nc(C[C@H]1C[NH2+]CCO1)n2C1CC1 ZINC000091293220 180124008 /nfs/dbraw/zinc/12/40/08/180124008.db2.gz TZWKOHTZBNHTIU-LBPRGKRZSA-N 1 0 275.327 2.041 10 0 CEAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000669383044 539765706 /nfs/dbraw/zinc/76/57/06/539765706.db2.gz VNXYOOGMTOVYAD-QJPTWQEYSA-N 1 0 254.374 2.289 10 0 CEAERO CCCCOCCOc1cncc(C[NH2+]CCC)n1 ZINC000091433666 180154257 /nfs/dbraw/zinc/15/42/57/180154257.db2.gz QJVRDNHFYSVQHP-UHFFFAOYSA-N 1 0 267.373 2.172 10 0 CEAERO CC[NH2+]Cc1cncc(Oc2ccc(OC)cc2)n1 ZINC000091434730 180154487 /nfs/dbraw/zinc/15/44/87/180154487.db2.gz XIMNCUQOUYJRMR-UHFFFAOYSA-N 1 0 259.309 2.387 10 0 CEAERO CCS(=O)(=O)CCC[C@@]1(C(C)(C)C)CCC[NH2+]1 ZINC000091445980 180156881 /nfs/dbraw/zinc/15/68/81/180156881.db2.gz IMKHIZFFUXQQEC-CYBMUJFWSA-N 1 0 261.431 2.370 10 0 CEAERO CC[C@H](N)[C@H](c1ccccc1C)[N@H+](C)CC1CC(O)C1 ZINC000091463318 180162221 /nfs/dbraw/zinc/16/22/21/180162221.db2.gz VTOQRJAUUBRGGB-LCSXWQTCSA-N 1 0 276.424 2.476 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1ccc(Cl)s1)N(C)CC1CC(O)C1 ZINC000091464584 180163172 /nfs/dbraw/zinc/16/31/72/180163172.db2.gz HWWUGMHDDLVULQ-XFDZKNAHSA-N 1 0 288.844 2.493 10 0 CEAERO C[NH2+]Cc1c(Cl)cccc1N(C)CC1CC(O)C1 ZINC000091464383 180163251 /nfs/dbraw/zinc/16/32/51/180163251.db2.gz KBSMIGTWIWHKOQ-UHFFFAOYSA-N 1 0 268.788 2.267 10 0 CEAERO COCC[NH2+]C[C@@H](O)C[C@@H]1CCCc2ccccc21 ZINC000091470259 180164943 /nfs/dbraw/zinc/16/49/43/180164943.db2.gz GIZNNRHQEABFFH-GJZGRUSLSA-N 1 0 263.381 2.094 10 0 CEAERO CCC[NH2+]CC[C@](C)(O)Cc1ccncc1Cl ZINC000091468103 180164945 /nfs/dbraw/zinc/16/49/45/180164945.db2.gz CWFJZCZKHRCOKN-ZDUSSCGKSA-N 1 0 256.777 2.418 10 0 CEAERO C[NH2+]CC1CC(OC[C@@H]2OCCc3ccccc32)C1 ZINC000091472082 180165772 /nfs/dbraw/zinc/16/57/72/180165772.db2.gz LLGKNPZSUAOEPX-PXCJXSSVSA-N 1 0 261.365 2.315 10 0 CEAERO C[NH2+]CC1CC(O[C@@H](C)C(=O)Nc2ccccc2)C1 ZINC000091476580 180166410 /nfs/dbraw/zinc/16/64/10/180166410.db2.gz RJYNUKFEGYMBJL-DCBWTQNWSA-N 1 0 262.353 2.028 10 0 CEAERO C[N@H+](CC1CC(O)C1)CC(C)(C)[C@@H](O)c1ccccc1 ZINC000091490195 180169020 /nfs/dbraw/zinc/16/90/20/180169020.db2.gz PMZUVMPYBDSRQK-BCLQGDPASA-N 1 0 277.408 2.449 10 0 CEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C(=O)C1C(C)(C)C1(C)C ZINC000091492847 180170423 /nfs/dbraw/zinc/17/04/23/180170423.db2.gz ZIVKALRQKKBQHP-GRYCIOLGSA-N 1 0 264.413 2.125 10 0 CEAERO C[C@@H]1CC[C@@H](C[NH3+])CN1C(=O)C1C(C)(C)C1(C)C ZINC000091492770 180170918 /nfs/dbraw/zinc/17/09/18/180170918.db2.gz ATLHJCUXRKUORZ-MNOVXSKESA-N 1 0 252.402 2.254 10 0 CEAERO C[C@H](c1noc(C2C(C)(C)C2(C)C)n1)N1CC[NH2+]CC1 ZINC000091494287 180171188 /nfs/dbraw/zinc/17/11/88/180171188.db2.gz OVDVNZDOBWYAAA-SNVBAGLBSA-N 1 0 278.400 2.185 10 0 CEAERO Cc1ccc(C(=O)CC[N@@H+](C)CC2CC(O)C2)cc1 ZINC000091498610 180173049 /nfs/dbraw/zinc/17/30/49/180173049.db2.gz BPBHJCHNYNUQJW-UHFFFAOYSA-N 1 0 261.365 2.271 10 0 CEAERO CCOc1ccc(N)cc1CN1CCC[C@H]([NH+](C)C)C1 ZINC000091393556 180145546 /nfs/dbraw/zinc/14/55/46/180145546.db2.gz XKGPCWSNUBEIDT-HNNXBMFYSA-N 1 0 277.412 2.194 10 0 CEAERO CC[NH2+][C@H](C)C(C)(C)CN1CCN(c2nccs2)CC1 ZINC000091402439 180147194 /nfs/dbraw/zinc/14/71/94/180147194.db2.gz YIYQPXBRUHEGNL-CYBMUJFWSA-N 1 0 296.484 2.289 10 0 CEAERO CCC[NH2+][C@@H](C)C(C)(C)CN(C)Cc1nccn1C ZINC000091404868 180147212 /nfs/dbraw/zinc/14/72/12/180147212.db2.gz QPBBWSCQNWIYKN-ZDUSSCGKSA-N 1 0 266.433 2.266 10 0 CEAERO C[C@@H]1CCCN(c2cncc(C[NH2+]C3CC3)n2)CC1 ZINC000091421637 180151115 /nfs/dbraw/zinc/15/11/15/180151115.db2.gz AIJAOHMTKFKVDJ-GFCCVEGCSA-N 1 0 260.385 2.355 10 0 CEAERO CCC[NH2+]Cc1cncc(-n2ccc(C(C)C)n2)n1 ZINC000091422515 180151390 /nfs/dbraw/zinc/15/13/90/180151390.db2.gz HYEQPWWOEADYCG-UHFFFAOYSA-N 1 0 259.357 2.285 10 0 CEAERO COc1cccc(-c2csc([C@H]3C[NH2+]CCO3)n2)c1 ZINC000091501004 180174853 /nfs/dbraw/zinc/17/48/53/180174853.db2.gz NGZURUPTWDCSQQ-CYBMUJFWSA-N 1 0 276.361 2.480 10 0 CEAERO CC(C)([C@H](O)C[C@@H]1Cc2ccccc21)[NH+]1CCOCC1 ZINC000091565808 180193431 /nfs/dbraw/zinc/19/34/31/180193431.db2.gz RNXMVMSSASRFNQ-GOEBONIOSA-N 1 0 275.392 2.188 10 0 CEAERO CCc1cc(C[C@H]([NH2+]C)C(C)(C)N2CCCCC2)n(C)n1 ZINC000091564880 180193516 /nfs/dbraw/zinc/19/35/16/180193516.db2.gz KMWDUGYFJUMHSA-INIZCTEOSA-N 1 0 292.471 2.378 10 0 CEAERO C[NH2+][C@@H](Cc1cc(C)nn1C)C(C)(C)N1CCCCC1 ZINC000091564882 180193523 /nfs/dbraw/zinc/19/35/23/180193523.db2.gz LHVWISYDCRMSHZ-HNNXBMFYSA-N 1 0 278.444 2.124 10 0 CEAERO C[NH2+][C@@H](c1cc(F)ccc1F)C(C)(C)N1CCOCC1 ZINC000091566436 180193930 /nfs/dbraw/zinc/19/39/30/180193930.db2.gz UBJCKMANYJEANT-AWEZNQCLSA-N 1 0 284.350 2.336 10 0 CEAERO CC[NH2+][C@H](CC[C@H]1CCCO1)C(C)(C)N1CCOCC1 ZINC000091566883 180194533 /nfs/dbraw/zinc/19/45/33/180194533.db2.gz RNQCSGQLDPUTTI-HUUCEWRRSA-N 1 0 284.444 2.035 10 0 CEAERO CCN1C(=O)C[C@H]([NH2+][C@H](c2cccs2)C(C)C)C1=O ZINC000105113207 186041612 /nfs/dbraw/zinc/04/16/12/186041612.db2.gz QJOKYFCLTBUFLJ-GWCFXTLKSA-N 1 0 280.393 2.182 10 0 CEAERO CC(C)([C@H](N)c1cnccc1N)[NH+]1CCCCCC1 ZINC000091567875 180194745 /nfs/dbraw/zinc/19/47/45/180194745.db2.gz XFXQNGWYVREEPW-CQSZACIVSA-N 1 0 262.401 2.318 10 0 CEAERO CC[C@H](C)n1ccc(C[C@@H](O)[C@@](C)(CC)[NH+](C)C)n1 ZINC000091569139 180195404 /nfs/dbraw/zinc/19/54/04/180195404.db2.gz BAITZMXSEAPWFM-NWANDNLSSA-N 1 0 267.417 2.488 10 0 CEAERO CC[C@@](C)([C@H](O)Cc1ccccc1OC)[NH+](C)C ZINC000091569368 180195879 /nfs/dbraw/zinc/19/58/79/180195879.db2.gz ADOSEULHOGSZSL-CABCVRRESA-N 1 0 251.370 2.329 10 0 CEAERO CCC[NH2+][C@H](Cc1cnn(C)c1)[C@@](C)(CC)N(C)C ZINC000091571829 180196437 /nfs/dbraw/zinc/19/64/37/180196437.db2.gz RYQNXLZBRPELCL-HUUCEWRRSA-N 1 0 266.433 2.061 10 0 CEAERO CC(C)[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1=O)c1cccs1 ZINC000105113243 186042703 /nfs/dbraw/zinc/04/27/03/186042703.db2.gz CWMMBUHFAGCYDS-BXUZGUMPSA-N 1 0 292.404 2.325 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@H](NC)c1cnn(C)c1 ZINC000091599619 180202293 /nfs/dbraw/zinc/20/22/93/180202293.db2.gz UKFSGCVMTOLWKJ-ZIAGYGMSSA-N 1 0 252.406 2.191 10 0 CEAERO CC(C)CCCNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105123860 186043205 /nfs/dbraw/zinc/04/32/05/186043205.db2.gz ODWHSNTWVRXWME-AWEZNQCLSA-N 1 0 267.417 2.302 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@H](NC)c1cccnc1N ZINC000091600078 180202719 /nfs/dbraw/zinc/20/27/19/180202719.db2.gz WXLFPZPCBZZRNZ-HIFRSBDPSA-N 1 0 264.417 2.435 10 0 CEAERO Cc1cccnc1CNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000105148439 186043852 /nfs/dbraw/zinc/04/38/52/186043852.db2.gz KAWMXDUNZNWSGO-CQSZACIVSA-N 1 0 292.427 2.166 10 0 CEAERO CCn1cc(C[C@@H]([NH2+]C)[C@](C)(CC)N2CCCC2)cn1 ZINC000091606297 180203991 /nfs/dbraw/zinc/20/39/91/180203991.db2.gz SDPIECRUWTZOEZ-CVEARBPZSA-N 1 0 278.444 2.298 10 0 CEAERO CCn1nc(C)cc1C[C@H](N)[C@](C)(CC)[NH+]1CCCC1 ZINC000091605395 180204179 /nfs/dbraw/zinc/20/41/79/180204179.db2.gz RNSOQMMFZHNOAW-HOTGVXAUSA-N 1 0 278.444 2.346 10 0 CEAERO CC[C@](C)([C@H](Cc1cccnc1N)[NH2+]C)N1CCCC1 ZINC000091606348 180204337 /nfs/dbraw/zinc/20/43/37/180204337.db2.gz FJLBMOWLXNOODC-GOEBONIOSA-N 1 0 276.428 2.059 10 0 CEAERO CC[C@@](C)([C@H](N)Cc1ccnc(N)c1)[NH+]1CCCCC1 ZINC000091609001 180205474 /nfs/dbraw/zinc/20/54/74/180205474.db2.gz BEHQXPMGCVWSFK-ZBFHGGJFSA-N 1 0 276.428 2.188 10 0 CEAERO CC[C@@](C)([C@H]([NH3+])Cc1ccncc1Cl)N1CCOCC1 ZINC000091611709 180206166 /nfs/dbraw/zinc/20/61/66/180206166.db2.gz UNTZEHVBRVDCGL-CABCVRRESA-N 1 0 297.830 2.106 10 0 CEAERO CC[C@@](C)([C@H]([NH3+])c1cccc(C)c1)N1CCOCC1 ZINC000091611853 180206831 /nfs/dbraw/zinc/20/68/31/180206831.db2.gz HUGCNYJHZDVZMW-CVEARBPZSA-N 1 0 262.397 2.496 10 0 CEAERO CC[C@@](C)([C@@H](Cc1cccc(F)c1)[NH2+]C)N1CCOCC1 ZINC000091612457 180206981 /nfs/dbraw/zinc/20/69/81/180206981.db2.gz RBANKWWDIRXBEM-SJORKVTESA-N 1 0 294.414 2.457 10 0 CEAERO CC[C@](C)([C@H]([NH2+]C)c1ccccc1OC)N1CCOCC1 ZINC000091612278 180207219 /nfs/dbraw/zinc/20/72/19/180207219.db2.gz WKAWYGVVLNVOPA-IAGOWNOFSA-N 1 0 292.423 2.457 10 0 CEAERO CCCn1nccc1[C@@H]([NH2+]C)[C@](C)(CC)N1CCOCC1 ZINC000091612396 180207272 /nfs/dbraw/zinc/20/72/72/180207272.db2.gz OQRPACDJBHBCGQ-CVEARBPZSA-N 1 0 294.443 2.055 10 0 CEAERO CC(C)(C)c1ccc2oc(C[C@@](C)(O)C[NH3+])nc2c1 ZINC000091505978 180176286 /nfs/dbraw/zinc/17/62/86/180176286.db2.gz NJDNYXWOHSJWHP-OAHLLOKOSA-N 1 0 262.353 2.378 10 0 CEAERO CC[NH+](CC)C(CC)(CC)[C@H](N)Cc1cnn(C)c1 ZINC000091615861 180208293 /nfs/dbraw/zinc/20/82/93/180208293.db2.gz RWLDFYYNFRGBGT-CQSZACIVSA-N 1 0 266.433 2.191 10 0 CEAERO Cc1cc(F)cc(N[C@]2(CO)C[NH+]3CCC2CC3)c1 ZINC000091517751 180177669 /nfs/dbraw/zinc/17/76/69/180177669.db2.gz RIPBVCJVGSSXQH-HNNXBMFYSA-N 1 0 264.344 2.003 10 0 CEAERO COCC[NH2+]CC[C@@](C)(O)CCc1ccsc1 ZINC000091523485 180178005 /nfs/dbraw/zinc/17/80/05/180178005.db2.gz AUWBIHDBFULECY-ZDUSSCGKSA-N 1 0 257.399 2.058 10 0 CEAERO CCn1nc(C)cc1C[C@@](C)(O)CC[NH2+]C(C)(C)C ZINC000091522261 180178419 /nfs/dbraw/zinc/17/84/19/180178419.db2.gz PGRSOHIYYPUTTF-HNNXBMFYSA-N 1 0 267.417 2.283 10 0 CEAERO CCC[NH2+][C@H](Cc1cnn(CC)c1)C(C)(C)N(C)C ZINC000091529399 180180462 /nfs/dbraw/zinc/18/04/62/180180462.db2.gz AOJHCSWKAWSBQR-CQSZACIVSA-N 1 0 266.433 2.154 10 0 CEAERO CCN[C@H](c1nccn1C)C(C)(C)[NH+](CC)CC ZINC000091531428 180180563 /nfs/dbraw/zinc/18/05/63/180180563.db2.gz SMZFCHFZNYZPRE-GFCCVEGCSA-N 1 0 252.406 2.191 10 0 CEAERO C[NH2+][C@H](Cc1ccccc1OC)C(C)(C)N(C)C ZINC000091528848 180180655 /nfs/dbraw/zinc/18/06/55/180180655.db2.gz NAUQSLWGHMJNTA-CQSZACIVSA-N 1 0 250.386 2.166 10 0 CEAERO CC(C)C(=O)Nc1ccc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000091546182 180187085 /nfs/dbraw/zinc/18/70/85/180187085.db2.gz BUQZEVAEKYDNQL-VXGBXAGGSA-N 1 0 289.379 2.347 10 0 CEAERO CCOC(=O)c1cc(C)sc1NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091546930 180187445 /nfs/dbraw/zinc/18/74/45/180187445.db2.gz DXKSSXZUYSUIBT-ZJUUUORDSA-N 1 0 296.392 2.299 10 0 CEAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000091546751 180187531 /nfs/dbraw/zinc/18/75/31/180187531.db2.gz WOKTVIZDMNZDEQ-NWDGAFQWSA-N 1 0 283.375 2.180 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000091546750 180187586 /nfs/dbraw/zinc/18/75/86/180187586.db2.gz WOKTVIZDMNZDEQ-VXGBXAGGSA-N 1 0 283.375 2.180 10 0 CEAERO CCC(CC)([C@@H](N)Cc1cc(C)nn1C)[NH+]1CCCC1 ZINC000091634893 180210794 /nfs/dbraw/zinc/21/07/94/180210794.db2.gz WNEFSFBYTCCTJB-HNNXBMFYSA-N 1 0 278.444 2.253 10 0 CEAERO Cc1nc(C[C@@H](O)C2([NH+](C)C)CCCC2)cs1 ZINC000091636979 180211529 /nfs/dbraw/zinc/21/15/29/180211529.db2.gz ABZFGRXCFAXCLO-GFCCVEGCSA-N 1 0 254.399 2.229 10 0 CEAERO CCC(CC)([C@H](O)c1nccn1C)[NH+]1CCCC1 ZINC000091634616 180211582 /nfs/dbraw/zinc/21/15/82/180211582.db2.gz DVZSBEHUNGOZMB-GFCCVEGCSA-N 1 0 251.374 2.108 10 0 CEAERO CC[NH2+][C@H](c1ccnn1CC)C1(N(C)C)CCCC1 ZINC000091637932 180212426 /nfs/dbraw/zinc/21/24/26/180212426.db2.gz JMMQFEYZTOGJQG-CQSZACIVSA-N 1 0 264.417 2.428 10 0 CEAERO C[NH2+][C@@H](c1cncnc1)C1(N2CCCC2)CCCC1 ZINC000091640869 180212970 /nfs/dbraw/zinc/21/29/70/180212970.db2.gz JKGCZMDCRQMEJX-AWEZNQCLSA-N 1 0 260.385 2.146 10 0 CEAERO Cc1cnc(N)c([C@@H](O)C2([NH+]3CCCC3)CCCC2)c1 ZINC000091640372 180213089 /nfs/dbraw/zinc/21/30/89/180213089.db2.gz INTGRVWQQAHPLJ-CQSZACIVSA-N 1 0 275.396 2.414 10 0 CEAERO O[C@H](C1CCCC1)C1([NH+]2CCOCC2)CCCC1 ZINC000091642675 180213944 /nfs/dbraw/zinc/21/39/44/180213944.db2.gz RBZYKPMVCAUXLX-CQSZACIVSA-N 1 0 253.386 2.183 10 0 CEAERO [NH3+][C@@H](c1ccc(F)cc1)C1(N2CCOCC2)CCCC1 ZINC000091643017 180214049 /nfs/dbraw/zinc/21/40/49/180214049.db2.gz QLOGAUVTWOEDPP-HNNXBMFYSA-N 1 0 278.371 2.471 10 0 CEAERO CC(C)n1ncnc1CC(=O)C1([NH+](C)C)CCC(C)CC1 ZINC000091648275 180215345 /nfs/dbraw/zinc/21/53/45/180215345.db2.gz QVPQGWSDFWARBP-UHFFFAOYSA-N 1 0 292.427 2.481 10 0 CEAERO CCCn1ncnc1C[C@@H]([NH2+]C)C1(N(C)C)CCCCC1 ZINC000091647647 180215792 /nfs/dbraw/zinc/21/57/92/180215792.db2.gz INHMRRKPXGKOIU-CQSZACIVSA-N 1 0 293.459 2.083 10 0 CEAERO C[NH2+][C@H](Cc1cnccc1N)C1(N(C)C)CCC(C)CC1 ZINC000091649097 180216212 /nfs/dbraw/zinc/21/62/12/180216212.db2.gz QGOAKGSAPHNFHU-BLDCVEFLSA-N 1 0 290.455 2.305 10 0 CEAERO Cc1cnc(N)c([C@H](N)[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC000091651986 180217288 /nfs/dbraw/zinc/21/72/88/180217288.db2.gz GOVLQTXYDYHOTO-HZUKXOBISA-N 1 0 276.428 2.483 10 0 CEAERO CCCn1ncnc1C[C@H](N)C1([NH+](C)C)CCCCCC1 ZINC000091654306 180217357 /nfs/dbraw/zinc/21/73/57/180217357.db2.gz JBXPVZLTRQBEDL-AWEZNQCLSA-N 1 0 293.459 2.213 10 0 CEAERO CC[NH+](CC)[C@H]1CCN(c2nc(Cl)ncc2C)C1 ZINC000091659076 180218617 /nfs/dbraw/zinc/21/86/17/180218617.db2.gz CRKYTXMZVRWCGV-NSHDSACASA-N 1 0 268.792 2.359 10 0 CEAERO CNC(=O)[C@@H](CC(C)C)[NH2+][C@@H]1CCCc2cccnc21 ZINC000091661026 180218966 /nfs/dbraw/zinc/21/89/66/180218966.db2.gz FVVCDBAOPUXERC-ZIAGYGMSSA-N 1 0 275.396 2.209 10 0 CEAERO CN(C)Cc1noc([C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)n1 ZINC000091685484 180225951 /nfs/dbraw/zinc/22/59/51/180225951.db2.gz RKQMFOQHFBJFLL-SRVKXCTJSA-N 1 0 264.373 2.115 10 0 CEAERO CCc1cc(C[C@@H](O)CC[NH+](CC)CC)n(CC)n1 ZINC000091714231 180231458 /nfs/dbraw/zinc/23/14/58/180231458.db2.gz CHXKPTMWZKFWCT-HNNXBMFYSA-N 1 0 267.417 2.101 10 0 CEAERO O=C(CCc1cccs1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091714193 180231562 /nfs/dbraw/zinc/23/15/62/180231562.db2.gz LUANQSQAMIBWQS-BXUZGUMPSA-N 1 0 265.378 2.113 10 0 CEAERO CCc1cc(C[C@H](O)CC[NH+](CC)CC)n(CC)n1 ZINC000091714230 180231581 /nfs/dbraw/zinc/23/15/81/180231581.db2.gz CHXKPTMWZKFWCT-OAHLLOKOSA-N 1 0 267.417 2.101 10 0 CEAERO CC[NH+](CC)CC[C@H](O)Cc1nn(C)c2ccccc12 ZINC000091714408 180231663 /nfs/dbraw/zinc/23/16/63/180231663.db2.gz OOUPEXFUCVEXIR-ZDUSSCGKSA-N 1 0 275.396 2.209 10 0 CEAERO C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)[C@@H]1CN(C)CCO1 ZINC000091717599 180232141 /nfs/dbraw/zinc/23/21/41/180232141.db2.gz GRLBTYBMSOYTPU-STQMWFEESA-N 1 0 288.313 2.297 10 0 CEAERO C[NH2+][C@@H](Cc1ccc(C(C)C)cc1)[C@@H]1CN(C)CCO1 ZINC000091717934 180232569 /nfs/dbraw/zinc/23/25/69/180232569.db2.gz KLDYKMCTEWGRQV-IRXDYDNUSA-N 1 0 276.424 2.271 10 0 CEAERO C[NH2+][C@@H](Cc1cccc2ccccc21)[C@H]1CN(C)CCO1 ZINC000091717481 180232599 /nfs/dbraw/zinc/23/25/99/180232599.db2.gz CBHFAXCWNVZCOR-ZWKOTPCHSA-N 1 0 284.403 2.301 10 0 CEAERO CCCn1ccnc1[C@@H](CC[NH+](CC)CC)NC ZINC000091716264 180232947 /nfs/dbraw/zinc/23/29/47/180232947.db2.gz KRHYSDLCMSVDDA-CYBMUJFWSA-N 1 0 252.406 2.286 10 0 CEAERO CC[NH2+][C@@H](c1ccccc1OCC)[C@H]1CN(C)CCO1 ZINC000091718792 180233411 /nfs/dbraw/zinc/23/34/11/180233411.db2.gz ULLXLEIVKSPFTN-CVEARBPZSA-N 1 0 278.396 2.067 10 0 CEAERO CCCOc1ccc([C@@H]([NH2+]CC)[C@H]2CN(C)CCO2)cc1 ZINC000091718769 180233523 /nfs/dbraw/zinc/23/35/23/180233523.db2.gz YRLMTSNKKHCLEF-IAGOWNOFSA-N 1 0 292.423 2.457 10 0 CEAERO CC[NH2+][C@@H](c1ccc(OCC)cc1)[C@@H]1CN(C)CCO1 ZINC000091718406 180233682 /nfs/dbraw/zinc/23/36/82/180233682.db2.gz PQPCNNXCLJMQIN-HOTGVXAUSA-N 1 0 278.396 2.067 10 0 CEAERO CCC[NH2+][C@@H](c1ccc(OC)cc1C)[C@H]1CN(C)CCO1 ZINC000091719556 180234181 /nfs/dbraw/zinc/23/41/81/180234181.db2.gz WRYPKBQDIQLRBQ-SJORKVTESA-N 1 0 292.423 2.375 10 0 CEAERO CCC[NH2+][C@@H](c1ccc(F)cc1)[C@@H]1CN(C)CCO1 ZINC000091719338 180234241 /nfs/dbraw/zinc/23/42/41/180234241.db2.gz KETBDPYVOCECCB-GJZGRUSLSA-N 1 0 266.360 2.197 10 0 CEAERO CCC[NH2+][C@@H](c1ccc(C)cc1)[C@@H]1CN(C)CCO1 ZINC000091719234 180234380 /nfs/dbraw/zinc/23/43/80/180234380.db2.gz IFUKMIUUNGCWHB-HOTGVXAUSA-N 1 0 262.397 2.366 10 0 CEAERO CCC[NH2+][C@H](c1cc(F)cc(F)c1)[C@H]1CN(C)CCO1 ZINC000091719281 180234463 /nfs/dbraw/zinc/23/44/63/180234463.db2.gz BXENFVHRBAJWAJ-HUUCEWRRSA-N 1 0 284.350 2.336 10 0 CEAERO CCC[NH2+][C@H](c1cccc(F)c1)[C@@H]1CN(C)CCO1 ZINC000091719263 180234532 /nfs/dbraw/zinc/23/45/32/180234532.db2.gz FGKYVKMLMMOBAU-LSDHHAIUSA-N 1 0 266.360 2.197 10 0 CEAERO CCC[NH2+][C@@H](Cc1cccc(OC)c1)CN(C)C ZINC000091719914 180234635 /nfs/dbraw/zinc/23/46/35/180234635.db2.gz CZHGOQKOINSUBE-AWEZNQCLSA-N 1 0 250.386 2.168 10 0 CEAERO O[C@@H]1COCC[C@@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC000624235553 350239522 /nfs/dbraw/zinc/23/95/22/350239522.db2.gz MEYTWOGPOKHWLT-SJJHQCBESA-N 1 0 275.392 2.452 10 0 CEAERO C[NH2+][C@H](c1ccc(C)s1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721497 180238399 /nfs/dbraw/zinc/23/83/99/180238399.db2.gz HBWDTGQPNUQIRN-DYEKYZERSA-N 1 0 266.410 2.180 10 0 CEAERO COc1cccc(NC(=O)Cn2cccc2[C@@H](C)[NH3+])c1 ZINC000091800089 180258724 /nfs/dbraw/zinc/25/87/24/180258724.db2.gz ARCLLSRJGGGPKH-LLVKDONJSA-N 1 0 273.336 2.155 10 0 CEAERO Cc1ccccc1NC(=O)Cn1cccc1[C@@H](C)[NH3+] ZINC000091799976 180258937 /nfs/dbraw/zinc/25/89/37/180258937.db2.gz OGALJFWHPUEJGI-GFCCVEGCSA-N 1 0 257.337 2.455 10 0 CEAERO CCC[C@@H](C)NC(=O)Cn1cccc1[C@@H](C)[NH2+]CC ZINC000091802204 180259072 /nfs/dbraw/zinc/25/90/72/180259072.db2.gz XKGCWOQOLVFQRM-CHWSQXEVSA-N 1 0 265.401 2.463 10 0 CEAERO O[C@H](CN[C@H]1CCc2ccc(F)cc21)C[NH+]1CCCCC1 ZINC000151302227 539781085 /nfs/dbraw/zinc/78/10/85/539781085.db2.gz VKKODQWSFMSBFS-WBVHZDCISA-N 1 0 292.398 2.249 10 0 CEAERO Cc1nc(CN(C)C)nc(C)c1CCC[NH2+]C(C)C ZINC000091723657 180242208 /nfs/dbraw/zinc/24/22/08/180242208.db2.gz YDWICYMQUFWMOG-UHFFFAOYSA-N 1 0 264.417 2.086 10 0 CEAERO C[NH2+][C@@H](C)c1cccn1CCOCC(F)(F)F ZINC000091800593 180259278 /nfs/dbraw/zinc/25/92/78/180259278.db2.gz VEAHRQXQZYUNLJ-VIFPVBQESA-N 1 0 250.264 2.347 10 0 CEAERO CC[NH2+][C@@H]1CCCCC[C@@H]1c1nc(CN(C)C)no1 ZINC000091747611 180244962 /nfs/dbraw/zinc/24/49/62/180244962.db2.gz YVEJRCMCIVPDMA-NWDGAFQWSA-N 1 0 266.389 2.157 10 0 CEAERO CCCN(C(=O)c1c(C)nn(C)c1C)C1CCC([NH3+])CC1 ZINC000091852009 180272617 /nfs/dbraw/zinc/27/26/17/180272617.db2.gz GTLNUMFTGCKKIB-UHFFFAOYSA-N 1 0 292.427 2.159 10 0 CEAERO CCCN(C(=O)[C@@H]1CCSC1)C1CCC([NH3+])CC1 ZINC000091851958 180272875 /nfs/dbraw/zinc/27/28/75/180272875.db2.gz IQXCOUZTQQADPY-PNESKVBLSA-N 1 0 270.442 2.248 10 0 CEAERO CCCN(C(=O)c1snnc1CC)C1CCC([NH3+])CC1 ZINC000091851991 180273001 /nfs/dbraw/zinc/27/30/01/180273001.db2.gz MKEANJFOBRKZND-UHFFFAOYSA-N 1 0 296.440 2.223 10 0 CEAERO CCCOCCC(=O)N(CCC)C1CCC([NH3+])CC1 ZINC000091852045 180273064 /nfs/dbraw/zinc/27/30/64/180273064.db2.gz PZYADGVLVWCCBL-UHFFFAOYSA-N 1 0 270.417 2.312 10 0 CEAERO C[N@H+](C[C@H]1Cc2ccccc2O1)C1CCC(=O)CC1 ZINC000091854046 180273646 /nfs/dbraw/zinc/27/36/46/180273646.db2.gz VHRISXKREGWMFS-OAHLLOKOSA-N 1 0 259.349 2.434 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)Cc2cccc(OC)c2)CC1 ZINC000091854529 180274198 /nfs/dbraw/zinc/27/41/98/180274198.db2.gz RMZIVRXKDGPXFT-UHFFFAOYSA-N 1 0 290.407 2.227 10 0 CEAERO CC[NH2+][C@@H](C)c1cccn1CCCC(=O)N(C)C ZINC000091802277 180260186 /nfs/dbraw/zinc/26/01/86/180260186.db2.gz ULQFVIQMIZGVFT-LBPRGKRZSA-N 1 0 251.374 2.027 10 0 CEAERO CC[C@@H]([NH2+]C)c1ccn(CC(=O)N[C@H](C)C(C)C)c1 ZINC000091816740 180263306 /nfs/dbraw/zinc/26/33/06/180263306.db2.gz YUIIAYIUDDJJBJ-TZMCWYRMSA-N 1 0 265.401 2.319 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)/C=C\c3cccc(F)c3)C[C@@H]12 ZINC000493685477 290893424 /nfs/dbraw/zinc/89/34/24/290893424.db2.gz DTTLGYSVVPNSMD-GKDQIBBTSA-N 1 0 274.339 2.035 10 0 CEAERO CC[NH2+][C@H](c1ccn(CCOCCOC)c1)C1CC1 ZINC000091838023 180267643 /nfs/dbraw/zinc/26/76/43/180267643.db2.gz FEMFZNGSFQUKNR-HNNXBMFYSA-N 1 0 266.385 2.212 10 0 CEAERO C[NH2+][C@@H](c1ccn(CCn2ccnc2C)c1)C1CC1 ZINC000091837430 180268051 /nfs/dbraw/zinc/26/80/51/180268051.db2.gz YGXVCLXYTCCAHQ-OAHLLOKOSA-N 1 0 258.369 2.364 10 0 CEAERO CCCNC(=O)Cn1ccc([C@H]([NH2+]CC)C2CC2)c1 ZINC000091837625 180268198 /nfs/dbraw/zinc/26/81/98/180268198.db2.gz ACDPAQZQKGHICD-OAHLLOKOSA-N 1 0 263.385 2.075 10 0 CEAERO [NH3+]C1CCC(NC(=O)c2cc(Cl)cn2C2CC2)CC1 ZINC000091843144 180268676 /nfs/dbraw/zinc/26/86/76/180268676.db2.gz ICHVENUKRBMCTA-UHFFFAOYSA-N 1 0 281.787 2.476 10 0 CEAERO CCN(C(=O)c1ncccc1C)C1CCC([NH3+])CC1 ZINC000091850458 180271751 /nfs/dbraw/zinc/27/17/51/180271751.db2.gz UIRHUHPBNYWOBH-UHFFFAOYSA-N 1 0 261.369 2.122 10 0 CEAERO CCN(C(=O)c1ccc(OC)cc1)C1CCC([NH3+])CC1 ZINC000091850285 180272070 /nfs/dbraw/zinc/27/20/70/180272070.db2.gz VAHHXVRTGSOKLI-UHFFFAOYSA-N 1 0 276.380 2.427 10 0 CEAERO CCCC1CCC(C[NH3+])([C@@](C)(O)C(OC)OC)CC1 ZINC000091925880 180287544 /nfs/dbraw/zinc/28/75/44/180287544.db2.gz AOGBHCPQTGNURL-BLZCZZARSA-N 1 0 273.417 2.292 10 0 CEAERO [NH3+]CCCN(C(=O)N1CCCC1)C1CCCCC1 ZINC000091962967 180293132 /nfs/dbraw/zinc/29/31/32/180293132.db2.gz LJDPPKHVZKTFJU-UHFFFAOYSA-N 1 0 253.390 2.186 10 0 CEAERO CCN(CC)C(=O)N[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC000091962015 180293137 /nfs/dbraw/zinc/29/31/37/180293137.db2.gz GVWXCTVGWODNGA-ZDUSSCGKSA-N 1 0 267.417 2.493 10 0 CEAERO [NH3+]CCCN(C(=O)N1CCCCC1)c1ccccc1 ZINC000091969010 180294475 /nfs/dbraw/zinc/29/44/75/180294475.db2.gz NWXCKDCTJZCNOW-UHFFFAOYSA-N 1 0 261.369 2.448 10 0 CEAERO O=C(N1CCCCC1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000091969433 180294509 /nfs/dbraw/zinc/29/45/09/180294509.db2.gz MSJYPBIIBBVBNY-ZIAGYGMSSA-N 1 0 265.401 2.056 10 0 CEAERO CCN(C(=O)N1CCCCC1)[C@H]1CCC[C@H]1C[NH3+] ZINC000091969544 180294675 /nfs/dbraw/zinc/29/46/75/180294675.db2.gz AWNVLEMFAFTQRC-STQMWFEESA-N 1 0 253.390 2.042 10 0 CEAERO CC(C)(C)c1ccc([C@@H](O)[C@@]2(C[NH3+])CCOC2)cc1 ZINC000091909668 180284538 /nfs/dbraw/zinc/28/45/38/180284538.db2.gz AANFXCADRPABTF-GDBMZVCRSA-N 1 0 263.381 2.383 10 0 CEAERO [NH3+]C[C@@]1([C@@H](O)c2ccncc2)CCc2ccccc2C1 ZINC000091909577 180284553 /nfs/dbraw/zinc/28/45/53/180284553.db2.gz VTLFSAWXEXBMCP-DLBZAZTESA-N 1 0 268.360 2.249 10 0 CEAERO [NH3+]C[C@]1([C@@H](O)c2ccccc2)CCOc2ccccc21 ZINC000091909503 180284554 /nfs/dbraw/zinc/28/45/54/180284554.db2.gz YKQHROXCSMTMCY-DLBZAZTESA-N 1 0 269.344 2.399 10 0 CEAERO CCOc1cc([C@H](O)[C@@H](C)C[NH3+])ccc1OC(F)F ZINC000091909051 180284573 /nfs/dbraw/zinc/28/45/73/180284573.db2.gz QLSOAOUNLQUNIR-QPUJVOFHSA-N 1 0 275.295 2.315 10 0 CEAERO CCOc1cc2c(cc1[C@H](O)[C@@H](C)C[NH3+])O[C@H](C)C2 ZINC000091909251 180284684 /nfs/dbraw/zinc/28/46/84/180284684.db2.gz XYTJCUAFVBYHMM-FEUHOPSXSA-N 1 0 265.353 2.037 10 0 CEAERO CCOc1cc2c(cc1[C@@H](O)C(C)(C)C[NH3+])O[C@H](C)C2 ZINC000091909260 180284693 /nfs/dbraw/zinc/28/46/93/180284693.db2.gz CSHCIPUTICVASO-MEBBXXQBSA-N 1 0 279.380 2.427 10 0 CEAERO [NH3+]C[C@]1([C@H](O)c2ccc3ccccc3c2)CCOC1 ZINC000091911644 180285299 /nfs/dbraw/zinc/28/52/99/180285299.db2.gz MUUXQUKWJRYJRK-HZPDHXFCSA-N 1 0 257.333 2.239 10 0 CEAERO NC(=[NH2+])COc1ccc(NC(=O)N2CCCCC2)cc1 ZINC000091969847 180294941 /nfs/dbraw/zinc/29/49/41/180294941.db2.gz WKOIDKPWAVMDKJ-UHFFFAOYSA-N 1 0 276.340 2.019 10 0 CEAERO CSCC[C@@H](O)[C@@]1(C[NH3+])CCCc2ccccc21 ZINC000091917488 180285893 /nfs/dbraw/zinc/28/58/93/180285893.db2.gz NEJKPNGOIQKIDX-HUUCEWRRSA-N 1 0 265.422 2.333 10 0 CEAERO CCC1CCC(C[NH3+])([C@]2(O)CCCOCC2)CC1 ZINC000091922978 180286472 /nfs/dbraw/zinc/28/64/72/180286472.db2.gz AFIYREVLBIDFCV-NRXISQOPSA-N 1 0 255.402 2.463 10 0 CEAERO CC(C)[N@@H+]1CCO[C@@H](CSc2cccc(N)c2)C1 ZINC000091927269 180287475 /nfs/dbraw/zinc/28/74/75/180287475.db2.gz IPWLNYIHKBCYPI-CYBMUJFWSA-N 1 0 266.410 2.470 10 0 CEAERO CC[C@H]([NH2+]C)c1ccc(OC[C@@H]2CN(CC)CCO2)cc1 ZINC000092051166 180312701 /nfs/dbraw/zinc/31/27/01/180312701.db2.gz YVJHKSJFJCBEIL-IRXDYDNUSA-N 1 0 292.423 2.457 10 0 CEAERO CC1CCC(C[NH3+])(NC(=O)N2CCCCCC2)CC1 ZINC000091971093 180295171 /nfs/dbraw/zinc/29/51/71/180295171.db2.gz FKTCVXXDNZCOBU-UHFFFAOYSA-N 1 0 267.417 2.480 10 0 CEAERO CCN(C)C(=O)N(CC)C1(C[NH3+])CCC(C)CC1 ZINC000091972859 180296010 /nfs/dbraw/zinc/29/60/10/180296010.db2.gz SKZAMNPIQKFKMJ-UHFFFAOYSA-N 1 0 255.406 2.288 10 0 CEAERO C[C@@H]1CCCN(C(=O)N(C)c2ccc(C[NH3+])cc2)C1 ZINC000091972660 180296047 /nfs/dbraw/zinc/29/60/47/180296047.db2.gz ZXYJJRWBMKGAGI-GFCCVEGCSA-N 1 0 261.369 2.433 10 0 CEAERO CC1CCN(C(=O)N(C)C2(C[NH3+])CCCCC2)CC1 ZINC000091972846 180296141 /nfs/dbraw/zinc/29/61/41/180296141.db2.gz RWFNJLGEBDJLTH-UHFFFAOYSA-N 1 0 267.417 2.432 10 0 CEAERO CC[C@H]1CN(C(=O)N2CCC(C)CC2)[C@@H](CC)C[NH2+]1 ZINC000091991351 180299853 /nfs/dbraw/zinc/29/98/53/180299853.db2.gz YNISVJSJICHWHG-KBPBESRZSA-N 1 0 267.417 2.301 10 0 CEAERO C[C@H]1CCCN(C(=O)Nc2cnn(C3CC[NH2+]CC3)c2)C1 ZINC000091991336 180299856 /nfs/dbraw/zinc/29/98/56/180299856.db2.gz HZRLSGGZMFOLMW-LBPRGKRZSA-N 1 0 291.399 2.071 10 0 CEAERO C[C@@H]1CCCN(C(=O)N[C@@H]2c3ccccc3C[C@@H]2[NH3+])C1 ZINC000091993161 180300520 /nfs/dbraw/zinc/30/05/20/180300520.db2.gz VKUXNYLWILLQTJ-BYCMXARLSA-N 1 0 273.380 2.053 10 0 CEAERO C[C@H]1CCCN(C(=O)Nc2ccc(CC(N)=[NH2+])cc2)C1 ZINC000091993280 180300526 /nfs/dbraw/zinc/30/05/26/180300526.db2.gz YSLZAASOSZLKSL-NSHDSACASA-N 1 0 274.368 2.429 10 0 CEAERO CC[NH2+]Cc1nc(C)ccc1OCC(=O)N[C@@H](C)C(C)C ZINC000091994951 180300936 /nfs/dbraw/zinc/30/09/36/180300936.db2.gz YCNFRMOGNRLXAC-ZDUSSCGKSA-N 1 0 293.411 2.039 10 0 CEAERO CC[NH2+]Cc1nc(C)ccc1O[C@@H](C)C(=O)NCC(C)C ZINC000091994843 180301049 /nfs/dbraw/zinc/30/10/49/180301049.db2.gz YVKRHGBCAYPBDU-ZDUSSCGKSA-N 1 0 293.411 2.039 10 0 CEAERO CCCCOC(=O)COc1ccc(C)nc1C[C@H](C)[NH3+] ZINC000092000279 180303689 /nfs/dbraw/zinc/30/36/89/180303689.db2.gz NDAYBGUMSZKTJO-NSHDSACASA-N 1 0 280.368 2.002 10 0 CEAERO CCOCCCOc1ccc(C)nc1C[C@H](C)[NH3+] ZINC000091999829 180303844 /nfs/dbraw/zinc/30/38/44/180303844.db2.gz FBDMBYSJRUKVMS-NSHDSACASA-N 1 0 252.358 2.085 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000092132492 180330065 /nfs/dbraw/zinc/33/00/65/180330065.db2.gz DJOGDPONXCVXFE-MRVPVSSYSA-N 1 0 260.259 2.499 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)Nc1cc(C)nc2ccccc21 ZINC000092132519 180330188 /nfs/dbraw/zinc/33/01/88/180330188.db2.gz ORZPZXKAUJGJET-JTQLQIEISA-N 1 0 257.337 2.337 10 0 CEAERO CCC(=O)Nc1ccc(Cl)c(NC(=O)[C@@H](C)C[NH2+]C)c1 ZINC000092133069 180330644 /nfs/dbraw/zinc/33/06/44/180330644.db2.gz PRRZROLCPMUIDJ-VIFPVBQESA-N 1 0 297.786 2.483 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)N[C@H](C)Cc1cccc(Cl)c1 ZINC000092133330 180330891 /nfs/dbraw/zinc/33/08/91/180330891.db2.gz DYZTWCRKRHORIU-WDEREUQCSA-N 1 0 268.788 2.243 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)N[C@H](C)Cc1cccc(Cl)c1 ZINC000092133332 180331030 /nfs/dbraw/zinc/33/10/30/180331030.db2.gz DYZTWCRKRHORIU-GHMZBOCLSA-N 1 0 268.788 2.243 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)N(C)[C@@H](C)c1ccc(C)s1 ZINC000092134724 180332675 /nfs/dbraw/zinc/33/26/75/180332675.db2.gz DKTVMOFVYDMPAQ-ONGXEEELSA-N 1 0 254.399 2.431 10 0 CEAERO COC(C)(C)c1noc([C@H]2CCCC[C@H]2C[NH3+])n1 ZINC000092138093 180333647 /nfs/dbraw/zinc/33/36/47/180333647.db2.gz VGUTVWQNVSYUAZ-UWVGGRQHSA-N 1 0 253.346 2.184 10 0 CEAERO COCC[NH2+]C[C@@H](C)c1c(C)nc(C(C)(C)OC)nc1C ZINC000092141087 180333652 /nfs/dbraw/zinc/33/36/52/180333652.db2.gz ZUHZAMPYDBUQAB-LLVKDONJSA-N 1 0 295.427 2.314 10 0 CEAERO CCCN[C@@](C)(CCC[N@@H+]1C[C@H](C)[C@H](C)C1)C(=O)OC ZINC000092087514 180321012 /nfs/dbraw/zinc/32/10/12/180321012.db2.gz RBALNQUVOGUIHI-LZWOXQAQSA-N 1 0 284.444 2.286 10 0 CEAERO CC[NH2+][C@@H](CN1C(=O)[C@H](C)[C@H](C)C1=O)c1ccccc1C ZINC000092094115 180323054 /nfs/dbraw/zinc/32/30/54/180323054.db2.gz MIDKKYXEIOZKCZ-GUTXKFCHSA-N 1 0 288.391 2.287 10 0 CEAERO C[C@H](NC(=O)[C@H]1C=C[C@@H]([NH3+])C1)c1cccc(OC(F)F)c1 ZINC000092202506 180342784 /nfs/dbraw/zinc/34/27/84/180342784.db2.gz MJWCPPBFPCCYML-ZMLRMANQSA-N 1 0 296.317 2.369 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2ccc(N3CCCC3)cc2)C1 ZINC000092203814 180343788 /nfs/dbraw/zinc/34/37/88/180343788.db2.gz WQHMHRNGTSOPJV-CHWSQXEVSA-N 1 0 271.364 2.129 10 0 CEAERO CCN(Cc1cccs1)C(=O)[C@H]1C=C[C@H]([NH3+])C1 ZINC000092204815 180343943 /nfs/dbraw/zinc/34/39/43/180343943.db2.gz ISOFCJOKYRPEEV-QWRGUYRKSA-N 1 0 250.367 2.000 10 0 CEAERO CCC(CC)N(CC(F)(F)F)C(=O)[C@H]1C=C[C@H]([NH3+])C1 ZINC000092205185 180344096 /nfs/dbraw/zinc/34/40/96/180344096.db2.gz TULNGQILKDVULY-UWVGGRQHSA-N 1 0 278.318 2.469 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)NCC23CC4CC(CC(C4)C2)C3)C1 ZINC000092206640 180344127 /nfs/dbraw/zinc/34/41/27/180344127.db2.gz UEAKNBOPSXHDOQ-QUDLODQRSA-N 1 0 274.408 2.222 10 0 CEAERO COc1ccc(Cl)c(NC(=O)[C@H]2C=C[C@H]([NH3+])C2)c1 ZINC000092207031 180344218 /nfs/dbraw/zinc/34/42/18/180344218.db2.gz DYKSPUORQLFXDI-IUCAKERBSA-N 1 0 266.728 2.191 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)N(Cc2ccco2)C2CCCC2)C1 ZINC000092204929 180344239 /nfs/dbraw/zinc/34/42/39/180344239.db2.gz YSYBLWDYPSDBCA-QWHCGFSZSA-N 1 0 274.364 2.454 10 0 CEAERO CCCC1CCC(NC(=O)[C@H]2C=C[C@H]([NH3+])C2)CC1 ZINC000092206959 180344290 /nfs/dbraw/zinc/34/42/90/180344290.db2.gz XBYDYJFRBYINKJ-QPPOZKHWSA-N 1 0 250.386 2.365 10 0 CEAERO CC(C)(C)C1CCN(C(=O)[C@@H]2C=C[C@H]([NH3+])C2)CC1 ZINC000092207226 180344391 /nfs/dbraw/zinc/34/43/91/180344391.db2.gz JHQHIDKPEPKYES-YPMHNXCESA-N 1 0 250.386 2.175 10 0 CEAERO CCn1cc(CN2CCC[N@H+](Cc3cccnc3)CC2)cn1 ZINC000105870185 186080599 /nfs/dbraw/zinc/08/05/99/186080599.db2.gz UYROTRRLZRIQHV-UHFFFAOYSA-N 1 0 299.422 2.006 10 0 CEAERO CCC[C@@H](C[NH3+])NC(=O)c1ccc(SC)cc1 ZINC000092232367 180348385 /nfs/dbraw/zinc/34/83/85/180348385.db2.gz DMLONNYMUDMFBH-NSHDSACASA-N 1 0 252.383 2.266 10 0 CEAERO CC[NH2+]Cc1cnc(C)n1C[C@H]1COc2ccccc21 ZINC000092306747 180360287 /nfs/dbraw/zinc/36/02/87/180360287.db2.gz VYFSMEHYNYDPQJ-ZDUSSCGKSA-N 1 0 271.364 2.477 10 0 CEAERO CSc1ccccc1C(=O)N1C[C@@H]2C[NH2+]C[C@H]2C1(C)C ZINC000092232589 180348964 /nfs/dbraw/zinc/34/89/64/180348964.db2.gz HNSNLNLADYIBAN-WCQYABFASA-N 1 0 290.432 2.479 10 0 CEAERO CC[C@@](C)(O)C[NH2+]C[C@H]1Cc2ccccc2S1 ZINC000092244731 180352125 /nfs/dbraw/zinc/35/21/25/180352125.db2.gz HTUWNMNHVBUZRT-TZMCWYRMSA-N 1 0 251.395 2.454 10 0 CEAERO OCC[N@H+](C[C@H]1COc2ccccc21)C1CCCC1 ZINC000092305722 180360436 /nfs/dbraw/zinc/36/04/36/180360436.db2.gz UVNDOJXERHMRBO-ZDUSSCGKSA-N 1 0 261.365 2.400 10 0 CEAERO C[C@H](C[NH2+]C[C@@H]1CSc2ccccc21)N(C)C ZINC000092275331 180356357 /nfs/dbraw/zinc/35/63/57/180356357.db2.gz BUPLYWQZARQNCX-VXGBXAGGSA-N 1 0 250.411 2.416 10 0 CEAERO C[C@@H]1CN(CCSc2ccccc2)CCC[NH2+]1 ZINC000092273074 180356659 /nfs/dbraw/zinc/35/66/59/180356659.db2.gz ZSOWWENJNSCENT-CYBMUJFWSA-N 1 0 250.411 2.463 10 0 CEAERO CC[NH2+]Cc1cn(C[C@H]2CSc3ccccc32)nn1 ZINC000092297963 180358628 /nfs/dbraw/zinc/35/86/28/180358628.db2.gz WUHWIGFJMQANIS-NSHDSACASA-N 1 0 274.393 2.277 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)OCc2cccc(Cl)c2)C1 ZINC000092177587 180337149 /nfs/dbraw/zinc/33/71/49/180337149.db2.gz MJMLJQJVSKIYDK-ZYHUDNBSSA-N 1 0 251.713 2.287 10 0 CEAERO COc1cccc(-c2noc([C@@H]3C=C[C@H]([NH3+])C3)n2)c1 ZINC000092181416 180338484 /nfs/dbraw/zinc/33/84/84/180338484.db2.gz CIZXOBGUORSMNU-MNOVXSKESA-N 1 0 257.293 2.116 10 0 CEAERO C[NH2+][C@@H](CN1C(=O)C[C@H](C)C1=O)c1c(C)cc(C)cc1C ZINC000105832663 186075713 /nfs/dbraw/zinc/07/57/13/186075713.db2.gz FJTOEBVNQUYULS-KBPBESRZSA-N 1 0 288.391 2.267 10 0 CEAERO CN(C)[C@@H](C[NH2+]C[C@@H]1CCCO1)c1cccs1 ZINC000105946356 186093645 /nfs/dbraw/zinc/09/36/45/186093645.db2.gz DQIONJGHCDOQFV-RYUDHWBXSA-N 1 0 254.399 2.119 10 0 CEAERO Cc1noc(C)c1[C@H](C)NC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000092329289 180363681 /nfs/dbraw/zinc/36/36/81/180363681.db2.gz PQPPTEXJKGQRFV-CABZTGNLSA-N 1 0 265.357 2.001 10 0 CEAERO Cc1noc(C)c1[C@H](C)NC(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000092329583 180363753 /nfs/dbraw/zinc/36/37/53/180363753.db2.gz NORZPDXEKCGWGB-BIMULSAOSA-N 1 0 279.384 2.234 10 0 CEAERO Cc1noc(C)c1[C@@H](C)NC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000092329288 180363977 /nfs/dbraw/zinc/36/39/77/180363977.db2.gz PQPPTEXJKGQRFV-SKDRFNHKSA-N 1 0 265.357 2.001 10 0 CEAERO C[C@@H]1CN(Cc2ccncc2Br)C[C@H]1[NH+](C)C ZINC000625275280 350450372 /nfs/dbraw/zinc/45/03/72/350450372.db2.gz MWKIDQBRAUVNGA-ZWNOBZJWSA-N 1 0 298.228 2.226 10 0 CEAERO C[C@@H](C[NH3+])[C@@H](O)c1c(F)c(F)c(F)c(F)c1F ZINC000106205662 186103926 /nfs/dbraw/zinc/10/39/26/186103926.db2.gz IVHJWUOMRHLVFS-ILMLOSMKSA-N 1 0 255.186 2.010 10 0 CEAERO Cc1noc(C)c1CN1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC000092342660 180366266 /nfs/dbraw/zinc/36/62/66/180366266.db2.gz VLZQUZVRHVFJGB-CYBMUJFWSA-N 1 0 251.374 2.111 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C2CC2)CN1Cc1c(C)noc1C ZINC000092342634 180366316 /nfs/dbraw/zinc/36/63/16/180366316.db2.gz GUQZKIJGOQBEJH-UKRRQHHQSA-N 1 0 263.385 2.254 10 0 CEAERO COC(=O)CC[C@H]([NH3+])Cc1cc(C)nc2ccccc12 ZINC000092345531 180366357 /nfs/dbraw/zinc/36/63/57/180366357.db2.gz QEPBXUPRNRISKO-ZDUSSCGKSA-N 1 0 272.348 2.366 10 0 CEAERO CC[C@@]1(C)CN(Cc2c(C)noc2C)CCC[NH2+]1 ZINC000092342893 180366519 /nfs/dbraw/zinc/36/65/19/180366519.db2.gz LMPPVXPZSUYHIL-AWEZNQCLSA-N 1 0 251.374 2.255 10 0 CEAERO Cc1cc(NS(=O)(=O)c2cccc([C@H](C)O)c2)cc[nH+]1 ZINC000092365803 180368855 /nfs/dbraw/zinc/36/88/55/180368855.db2.gz PUGWTFBIXVVMAQ-NSHDSACASA-N 1 0 292.360 2.244 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C[C@H](O)c1c(F)cccc1F ZINC000106379313 186111282 /nfs/dbraw/zinc/11/12/82/186111282.db2.gz SVUPPZBJUIQJPX-DOMZBBRYSA-N 1 0 298.377 2.414 10 0 CEAERO CCNc1cccc(CN(C)[C@H]2CCC[N@H+](C)C2)n1 ZINC000092370222 180369895 /nfs/dbraw/zinc/36/98/95/180369895.db2.gz GMFYSLRZDZWORL-AWEZNQCLSA-N 1 0 262.401 2.039 10 0 CEAERO COc1cccc(CN(C)Cc2cccc(NN)[nH+]2)c1 ZINC000092369805 180370389 /nfs/dbraw/zinc/37/03/89/180370389.db2.gz QPASDPFAGDHZJN-UHFFFAOYSA-N 1 0 272.352 2.008 10 0 CEAERO Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H]2CN(C)CCO2)c1 ZINC000106388089 186112809 /nfs/dbraw/zinc/11/28/09/186112809.db2.gz RHGUNGFEQKEULV-CABCVRRESA-N 1 0 262.397 2.285 10 0 CEAERO CC(C)[C@@H](CO)Nc1nc2ccccc2cc1C[NH3+] ZINC000092391537 180375711 /nfs/dbraw/zinc/37/57/11/180375711.db2.gz GYRDUUVCXQPCLF-CQSZACIVSA-N 1 0 259.353 2.122 10 0 CEAERO COc1cc([C@@H](C)[NH2+][C@@H](CO)C(C)C)ccc1O ZINC000092393712 180375956 /nfs/dbraw/zinc/37/59/56/180375956.db2.gz NSQYQNCMOLGAOZ-PWSUYJOCSA-N 1 0 253.342 2.068 10 0 CEAERO CC(C)[C@H](CO)[NH2+]Cc1ccccc1N1CCCC1 ZINC000092392067 180376254 /nfs/dbraw/zinc/37/62/54/180376254.db2.gz FOCYZSIXUHOSJG-HNNXBMFYSA-N 1 0 262.397 2.393 10 0 CEAERO CCn1nc(C[NH2+][C@@H](CO)C(C)C)c2ccccc21 ZINC000092394918 180376736 /nfs/dbraw/zinc/37/67/36/180376736.db2.gz ANZGBJUWXPDOAL-AWEZNQCLSA-N 1 0 261.369 2.163 10 0 CEAERO CC(C)[C@@H](CO)[NH2+]C[C@@H]1Cc2ccccc2S1 ZINC000092400494 180377885 /nfs/dbraw/zinc/37/78/85/180377885.db2.gz MITHQPXZXKURMI-QWHCGFSZSA-N 1 0 251.395 2.310 10 0 CEAERO CCCNc1cc[nH+]c(CN(CCOC)[C@H](C)COC)c1 ZINC000092418744 180381250 /nfs/dbraw/zinc/38/12/50/180381250.db2.gz IVEIBFLAJMCKAA-CQSZACIVSA-N 1 0 295.427 2.387 10 0 CEAERO CCCNc1cc[nH+]c(CN(CC)CC(=O)NC(C)C)c1 ZINC000092418659 180381289 /nfs/dbraw/zinc/38/12/89/180381289.db2.gz CQPCVLRXNWVAKP-UHFFFAOYSA-N 1 0 292.427 2.250 10 0 CEAERO CCCNc1cc[nH+]c(CSCCS(C)(=O)=O)c1 ZINC000092421026 180382783 /nfs/dbraw/zinc/38/27/83/180382783.db2.gz MVHVOQMKSWOMQK-UHFFFAOYSA-N 1 0 288.438 2.181 10 0 CEAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@H](n1ccnc1C)CC2 ZINC000092386060 180373533 /nfs/dbraw/zinc/37/35/33/180373533.db2.gz HNCKXJPVBWPNSY-HUUCEWRRSA-N 1 0 257.337 2.387 10 0 CEAERO C[NH2+][C@@H]1c2cc(OC)ccc2CC[C@H]1N1CCCC1 ZINC000092385065 180374017 /nfs/dbraw/zinc/37/40/17/180374017.db2.gz NOAZJYQHAPPLLW-HZPDHXFCSA-N 1 0 260.381 2.366 10 0 CEAERO C[NH2+][C@@H]1c2cc(OC)ccc2CC[C@H]1n1ccnc1 ZINC000092386053 180374070 /nfs/dbraw/zinc/37/40/70/180374070.db2.gz DOYRGZFOGRQMOV-HUUCEWRRSA-N 1 0 257.337 2.340 10 0 CEAERO COc1ccc(C(=O)C[NH2+]C(C)C)c(OC)c1C ZINC000107295076 186167887 /nfs/dbraw/zinc/16/78/87/186167887.db2.gz VYLYLNFBQMLSSN-UHFFFAOYSA-N 1 0 251.326 2.193 10 0 CEAERO CC(C)[NH2+]CCCc1ccc(S(C)(=O)=O)cc1 ZINC000107296115 186168648 /nfs/dbraw/zinc/16/86/48/186168648.db2.gz UGEZWXHBSJMYOA-UHFFFAOYSA-N 1 0 255.383 2.021 10 0 CEAERO CCCN1C(=O)C[C@@H]([NH2+][C@@H](CC)c2ccccc2)C1=O ZINC000106923589 186150536 /nfs/dbraw/zinc/15/05/36/186150536.db2.gz PKNNLTUFMFRLJI-UONOGXRCSA-N 1 0 274.364 2.265 10 0 CEAERO Nc1c(-c2ccc3c(c2)OCCO3)[nH+]c2n1CCCC2 ZINC000107841968 186194993 /nfs/dbraw/zinc/19/49/93/186194993.db2.gz BYXOOJOXIQFSJQ-UHFFFAOYSA-N 1 0 271.320 2.240 10 0 CEAERO Cc1cccc(O)c1C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000625606845 350535142 /nfs/dbraw/zinc/53/51/42/350535142.db2.gz RMMCCIWCEBHTRH-QWHCGFSZSA-N 1 0 274.364 2.009 10 0 CEAERO CC[NH+](CC)CCn1c2ccncc2[nH]c1=S ZINC000092514205 180399637 /nfs/dbraw/zinc/39/96/37/180399637.db2.gz SNORWENSMZKOMB-UHFFFAOYSA-N 1 0 250.371 2.436 10 0 CEAERO CCC1(C(=O)N(CC2CC2)C(C)C)CC[NH2+]CC1 ZINC000109038470 186241087 /nfs/dbraw/zinc/24/10/87/186241087.db2.gz UDZDWAVPODVDPT-UHFFFAOYSA-N 1 0 252.402 2.413 10 0 CEAERO C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000109081777 186242526 /nfs/dbraw/zinc/24/25/26/186242526.db2.gz JQWDKRBOLVVEGB-CHWSQXEVSA-N 1 0 294.345 2.279 10 0 CEAERO CCCO[C@H]1CCC[N@H+](C[C@H](O)COC(C)(C)C)CC1 ZINC000108493749 186219362 /nfs/dbraw/zinc/21/93/62/186219362.db2.gz PUNCUUZTPLRYGA-GJZGRUSLSA-N 1 0 287.444 2.444 10 0 CEAERO CC(C)Cc1ccc([C@H](O)C[NH2+]C[C@H](C)CO)cc1 ZINC000109122463 186244631 /nfs/dbraw/zinc/24/46/31/186244631.db2.gz FXMJSXSBMHMXJO-XJKSGUPXSA-N 1 0 265.397 2.137 10 0 CEAERO CC[NH2+][C@@H]1CCC[C@H]1c1nc(-c2ccncc2)no1 ZINC000109498343 186256437 /nfs/dbraw/zinc/25/64/37/186256437.db2.gz KQLJRTPDAMFGBD-VXGBXAGGSA-N 1 0 258.325 2.377 10 0 CEAERO COc1ccc(-c2noc(C[C@H]([NH3+])C(C)C)n2)cc1 ZINC000109503013 186257292 /nfs/dbraw/zinc/25/72/92/186257292.db2.gz JBPXSVHFZDRQQY-LBPRGKRZSA-N 1 0 261.325 2.271 10 0 CEAERO CC[NH2+][C@H](C)CCc1nc(-c2ncccc2C)no1 ZINC000109519235 186259186 /nfs/dbraw/zinc/25/91/86/186259186.db2.gz RACMAOZWZMICPB-LLVKDONJSA-N 1 0 260.341 2.371 10 0 CEAERO C[C@@H]([NH3+])CCc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000109520972 186259355 /nfs/dbraw/zinc/25/93/55/186259355.db2.gz LOAPMTGPQDTITJ-ZCFIWIBFSA-N 1 0 271.242 2.434 10 0 CEAERO CC[C@H]([NH3+])Cc1nc(-c2cc(F)cc(F)c2)no1 ZINC000109520451 186259546 /nfs/dbraw/zinc/25/95/46/186259546.db2.gz FKBATAFWHHGWBM-JTQLQIEISA-N 1 0 253.252 2.295 10 0 CEAERO COc1cc([C@@H](C)[NH3+])ccc1O[C@H]1CCC[C@H]1O ZINC000109562115 186263948 /nfs/dbraw/zinc/26/39/48/186263948.db2.gz YJTPVVKTOXCUHZ-JLLWLGSASA-N 1 0 251.326 2.007 10 0 CEAERO C[NH2+]Cc1cc(N(C)[C@@H](C)COC)c2ccccc2n1 ZINC000109588742 186264313 /nfs/dbraw/zinc/26/43/13/186264313.db2.gz DPTPTRLLZFOZHF-LBPRGKRZSA-N 1 0 273.380 2.425 10 0 CEAERO C[NH+](C)C[C@@H]1CCCN1C(=S)Nc1ccccc1 ZINC000109671204 186268965 /nfs/dbraw/zinc/26/89/65/186268965.db2.gz RODGVBPYAGZLIP-ZDUSSCGKSA-N 1 0 263.410 2.409 10 0 CEAERO Cn1cnnc1CC[NH2+][C@@H](c1cccs1)C1CC1 ZINC000109422916 186251211 /nfs/dbraw/zinc/25/12/11/186251211.db2.gz UQURRGLIUDDVIP-CYBMUJFWSA-N 1 0 262.382 2.160 10 0 CEAERO Cc1ccc([C@@H](C)[NH2+]CCc2nncn2C)c(C)c1 ZINC000109421221 186251281 /nfs/dbraw/zinc/25/12/81/186251281.db2.gz AAJSWMOJCBDEKD-CYBMUJFWSA-N 1 0 258.369 2.325 10 0 CEAERO Cn1cnnc1CC[NH2+]Cc1cccc2ccccc21 ZINC000109420822 186251407 /nfs/dbraw/zinc/25/14/07/186251407.db2.gz WHTZPYAKONLTBE-UHFFFAOYSA-N 1 0 266.348 2.301 10 0 CEAERO Nc1cccc(F)c1C[N@@H+]1CCCC[C@H]1CCO ZINC000109427042 186251455 /nfs/dbraw/zinc/25/14/55/186251455.db2.gz OJJPWVRNZCIWBF-NSHDSACASA-N 1 0 252.333 2.145 10 0 CEAERO CCCC[C@H](CC)C(=O)N1CCN([C@H](C[NH3+])CCC)CC1 ZINC000109449311 186253258 /nfs/dbraw/zinc/25/32/58/186253258.db2.gz DIUAORPXVYKKNN-HOTGVXAUSA-N 1 0 297.487 2.474 10 0 CEAERO CCCN[C@@H](C[N@H+](CCC(C)C)C1CC1)C(=O)OC ZINC000109999548 186282372 /nfs/dbraw/zinc/28/23/72/186282372.db2.gz MSGXJVAOROZILK-AWEZNQCLSA-N 1 0 270.417 2.038 10 0 CEAERO Cc1nnc(SCC[NH2+][C@@H]2CCCC[C@@H]2C)n1C ZINC000110250132 186288815 /nfs/dbraw/zinc/28/88/15/186288815.db2.gz HRIRFDBSQFLDPH-CMPLNLGQSA-N 1 0 268.430 2.384 10 0 CEAERO Cc1nnc(S[C@@H](C)C[NH2+]Cc2cccs2)n1C ZINC000110250157 186289045 /nfs/dbraw/zinc/28/90/45/186289045.db2.gz DUIFHFQNDPEGFF-VIFPVBQESA-N 1 0 282.438 2.455 10 0 CEAERO CCOc1ccc([C@H](C)[NH3+])cc1CO[C@@H]1CCOC1 ZINC000110526935 186301219 /nfs/dbraw/zinc/30/12/19/186301219.db2.gz NLPAIUGTWVBMHH-SMDDNHRTSA-N 1 0 265.353 2.411 10 0 CEAERO CC[C@@H]([NH3+])[C@H](O[C@@H]1CCOC1)c1cccc(F)c1 ZINC000110525927 186301231 /nfs/dbraw/zinc/30/12/31/186301231.db2.gz ACJTURRSBQDQFU-MGPQQGTHSA-N 1 0 253.317 2.410 10 0 CEAERO CC(C)[NH2+]Cc1nc(O[C@H]2CCOC2)ccc1Cl ZINC000110532619 186301843 /nfs/dbraw/zinc/30/18/43/186301843.db2.gz CURSQTPCFVFLHE-JTQLQIEISA-N 1 0 270.760 2.401 10 0 CEAERO CC[NH2+]C[C@H](O[C@H]1CCOC1)c1cccc(OC)c1 ZINC000110530189 186302136 /nfs/dbraw/zinc/30/21/36/186302136.db2.gz PKWZKCQNSHTZQA-GJZGRUSLSA-N 1 0 265.353 2.151 10 0 CEAERO CC(C)[NH2+]Cc1nc(O[C@@H]2CCOC2)ccc1Cl ZINC000110532616 186302211 /nfs/dbraw/zinc/30/22/11/186302211.db2.gz CURSQTPCFVFLHE-SNVBAGLBSA-N 1 0 270.760 2.401 10 0 CEAERO CCN(C(=O)CC1CCC(C[NH3+])CC1)[C@@H](C)COC ZINC000110617936 186305538 /nfs/dbraw/zinc/30/55/38/186305538.db2.gz IOUSLYFWTPCJMP-HSBZDZAISA-N 1 0 270.417 2.025 10 0 CEAERO C[C@H]1CCCN(C(=O)CC2CCC(C[NH3+])CC2)C1 ZINC000110617118 186305541 /nfs/dbraw/zinc/30/55/41/186305541.db2.gz IMPXVHFAJGFQPH-HSBZDZAISA-N 1 0 252.402 2.400 10 0 CEAERO CC[C@@H]1CO[C@H](C)CN1C(=O)CC1CCC(C[NH3+])CC1 ZINC000110617440 186306006 /nfs/dbraw/zinc/30/60/06/186306006.db2.gz KKUZMRYNNAZPEO-XSCHDIRWSA-N 1 0 282.428 2.168 10 0 CEAERO COc1cc2c(cc1F)[nH]c(=S)n2CC[NH+](C)C ZINC000110628139 186306243 /nfs/dbraw/zinc/30/62/43/186306243.db2.gz RXVOBOKBVNCKPZ-UHFFFAOYSA-N 1 0 269.345 2.034 10 0 CEAERO C[N@@H+]1CCCN(c2cc(OC(F)F)c(F)cc2N)CC1 ZINC000110635838 186307606 /nfs/dbraw/zinc/30/76/06/186307606.db2.gz KXTRPNQOJQKMTH-UHFFFAOYSA-N 1 0 289.301 2.151 10 0 CEAERO COc1cc2c(cc1F)[nH+]c(N)n2[C@@H]1CCCC[C@H]1O ZINC000110630112 186307948 /nfs/dbraw/zinc/30/79/48/186307948.db2.gz OZTGHTJSKGNJFQ-ZYHUDNBSSA-N 1 0 279.315 2.242 10 0 CEAERO COc1cc2c(cc1F)[nH+]c(N)n2Cc1ccccn1 ZINC000110629276 186308122 /nfs/dbraw/zinc/30/81/22/186308122.db2.gz GQILRWFTUOTJIL-UHFFFAOYSA-N 1 0 272.283 2.210 10 0 CEAERO C[C@@H]1CCCN(C(=O)[C@@H](C[NH3+])Cc2ccccc2)CC1 ZINC000110808169 186325901 /nfs/dbraw/zinc/32/59/01/186325901.db2.gz GEVYNJZAFYCTPP-GDBMZVCRSA-N 1 0 274.408 2.453 10 0 CEAERO C[NH2+]Cc1c(C)nn(C)c1N1CCC[C@@H](C)CC1 ZINC000110807177 186326219 /nfs/dbraw/zinc/32/62/19/186326219.db2.gz XJPVPZIGWWQDMS-LLVKDONJSA-N 1 0 250.390 2.074 10 0 CEAERO COC(=O)[C@](C)(C[N@@H+]1CCC[C@@H](C)CC1)NC(C)C ZINC000110809915 186326487 /nfs/dbraw/zinc/32/64/87/186326487.db2.gz VLYXJZWBQOBDIP-HIFRSBDPSA-N 1 0 270.417 2.038 10 0 CEAERO COc1ccc(CNC[C@H]2CC[N@H+](C)C2)c(Cl)c1OC ZINC000110821651 186327766 /nfs/dbraw/zinc/32/77/66/186327766.db2.gz ILLVQWOZHZEMMV-LLVKDONJSA-N 1 0 298.814 2.399 10 0 CEAERO CCOC(=O)[C@@H](CC[N@H+](C)CC1CCCC1)NC(C)C ZINC000110841161 186328600 /nfs/dbraw/zinc/32/86/00/186328600.db2.gz MDSWLFQCPOFTHU-OAHLLOKOSA-N 1 0 284.444 2.428 10 0 CEAERO C[C@@H](CCc1ccco1)NC(=O)C[NH2+]C(C)(C)C ZINC000110838482 186328875 /nfs/dbraw/zinc/32/88/75/186328875.db2.gz WXFNNNAAYQCZBN-NSHDSACASA-N 1 0 252.358 2.105 10 0 CEAERO C[C@@H]1C[C@H]([NH3+])CC[C@@H]1C(=O)N(C)CC1CCCC1 ZINC000110848219 186329294 /nfs/dbraw/zinc/32/92/94/186329294.db2.gz SFBJQEORFFTXDE-BNOWGMLFSA-N 1 0 252.402 2.399 10 0 CEAERO CN(Cc1csc(-c2ccccn2)n1)[C@H]1CCC[NH2+]C1 ZINC000110929886 186333355 /nfs/dbraw/zinc/33/33/55/186333355.db2.gz JYPOGTGMTWDLIK-ZDUSSCGKSA-N 1 0 288.420 2.389 10 0 CEAERO CN(CC(C)(C)C(=O)Nc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000110931238 186333688 /nfs/dbraw/zinc/33/36/88/186333688.db2.gz GRJPPOYLWSRLDY-HNNXBMFYSA-N 1 0 289.423 2.335 10 0 CEAERO C[C@H](Oc1cccc(Cl)c1)C(=O)N(C)[C@H]1CCC[NH2+]C1 ZINC000110926849 186333891 /nfs/dbraw/zinc/33/38/91/186333891.db2.gz HDQPKNVKLNCXRW-AAEUAGOBSA-N 1 0 296.798 2.318 10 0 CEAERO COc1ccc([C@H](C)N(C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000110926519 186333952 /nfs/dbraw/zinc/33/39/52/186333952.db2.gz LHKMOUHQLXKRAE-GXTWGEPZSA-N 1 0 278.396 2.449 10 0 CEAERO CCN(C(=O)c1cc2c(s1)CCC2)[C@@H]1CCC[NH2+]C1 ZINC000110939992 186334765 /nfs/dbraw/zinc/33/47/65/186334765.db2.gz LMEALBOVPYGTMS-GFCCVEGCSA-N 1 0 278.421 2.451 10 0 CEAERO Cc1cccnc1-n1c(CC[NH3+])nc2ccccc21 ZINC000110949098 186335188 /nfs/dbraw/zinc/33/51/88/186335188.db2.gz QBBWIHPNWJYOJB-UHFFFAOYSA-N 1 0 252.321 2.230 10 0 CEAERO CCN(Cc1nnc(-c2cccs2)o1)[C@@H]1CCC[NH2+]C1 ZINC000110943259 186335574 /nfs/dbraw/zinc/33/55/74/186335574.db2.gz NJLRWSDPMQIDEI-LLVKDONJSA-N 1 0 292.408 2.372 10 0 CEAERO CCN(c1ccc(C(N)=O)c(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000110947187 186335722 /nfs/dbraw/zinc/33/57/22/186335722.db2.gz DQTKLAOXKSUWLP-NSHDSACASA-N 1 0 281.787 2.017 10 0 CEAERO CCN(Cc1nnc(-c2cccs2)o1)[C@H]1CCC[NH2+]C1 ZINC000110943263 186335809 /nfs/dbraw/zinc/33/58/09/186335809.db2.gz NJLRWSDPMQIDEI-NSHDSACASA-N 1 0 292.408 2.372 10 0 CEAERO CCCN(Cc1cc(C(=O)OC)c(C)o1)[C@@H]1CCC[NH2+]C1 ZINC000110946137 186335949 /nfs/dbraw/zinc/33/59/49/186335949.db2.gz XKVXWRDXKCHHCK-CYBMUJFWSA-N 1 0 294.395 2.339 10 0 CEAERO CCCCOC[C@@H](O)C[N@@H+]1CCCC2(CC2)CC1 ZINC000626115050 350658354 /nfs/dbraw/zinc/65/83/54/350658354.db2.gz DPVMOALSHDXBBB-AWEZNQCLSA-N 1 0 255.402 2.430 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(C)cc1OCCC(=O)N(C)C ZINC000110959495 186336858 /nfs/dbraw/zinc/33/68/58/186336858.db2.gz IHDBETZZQFDENF-LBPRGKRZSA-N 1 0 264.369 2.133 10 0 CEAERO NNc1cc(C2CC2)nc(Cc2nc3ccccc3[nH]2)[nH+]1 ZINC000110951272 186337163 /nfs/dbraw/zinc/33/71/63/186337163.db2.gz WAXKZNJLZQHIMK-UHFFFAOYSA-N 1 0 280.335 2.107 10 0 CEAERO CCNC(=O)COc1cc(C)ccc1[C@H](C)[NH2+]CC ZINC000110961368 186338076 /nfs/dbraw/zinc/33/80/76/186338076.db2.gz QTMMGYWNOFYPHD-LBPRGKRZSA-N 1 0 264.369 2.180 10 0 CEAERO CC[C@@H]1CN(C(=O)c2cc(C)ccc2NC)CC[N@@H+]1C ZINC000110697059 186314026 /nfs/dbraw/zinc/31/40/26/186314026.db2.gz ZLKOZUACLIMXRW-CYBMUJFWSA-N 1 0 275.396 2.203 10 0 CEAERO C[C@H]1C[N@@H+]([C@@H]2CCCc3ccccc3[C@@H]2O)CCN1C ZINC000110735516 186317286 /nfs/dbraw/zinc/31/72/86/186317286.db2.gz ZBYLKRXRECWDEA-XKQJLSEDSA-N 1 0 274.408 2.061 10 0 CEAERO Cc1ccc(C(=O)CN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000110729293 186317305 /nfs/dbraw/zinc/31/73/05/186317305.db2.gz RNHLNHYVDMUEDK-UHFFFAOYSA-N 1 0 260.381 2.204 10 0 CEAERO C[C@H]([C@@H](O)c1ccccc1)[N@@H+]1CCN(C)C(C)(C)C1 ZINC000110736570 186318902 /nfs/dbraw/zinc/31/89/02/186318902.db2.gz FLTXLUCMNHSJPU-UKRRQHHQSA-N 1 0 262.397 2.135 10 0 CEAERO CC[C@@H]1CN(C(=O)c2cc3ccccc3[nH]2)CC[N@@H+]1C ZINC000110767535 186322766 /nfs/dbraw/zinc/32/27/66/186322766.db2.gz GMZJTKMHFOMBAA-CYBMUJFWSA-N 1 0 271.364 2.334 10 0 CEAERO CNc1ccc(C(=O)N2CC[N@H+](C)C(C)(C)C2)cc1C ZINC000110771446 186323572 /nfs/dbraw/zinc/32/35/72/186323572.db2.gz JEPRYXONMVLNTG-UHFFFAOYSA-N 1 0 275.396 2.203 10 0 CEAERO Cc1nc(C[NH3+])sc1-c1nc(-c2ccncc2)no1 ZINC000110790946 186324404 /nfs/dbraw/zinc/32/44/04/186324404.db2.gz MXCFPOINFYKNTP-UHFFFAOYSA-N 1 0 273.321 2.022 10 0 CEAERO CCOC(=O)c1cc(C)sc1NC(=O)CCC[NH2+]C ZINC000110777843 186324489 /nfs/dbraw/zinc/32/44/89/186324489.db2.gz VPPLEAPTEFAZBP-UHFFFAOYSA-N 1 0 284.381 2.171 10 0 CEAERO CCCO[C@H]1CCC[N@H+](CC(OCC)OCC)C1 ZINC000110783465 186324650 /nfs/dbraw/zinc/32/46/50/186324650.db2.gz DGSBUTYXLCLEHQ-ZDUSSCGKSA-N 1 0 259.390 2.277 10 0 CEAERO COc1cc(NC[C@H](C)C[NH+]2CCCC2)ccc1N ZINC000111056074 186349489 /nfs/dbraw/zinc/34/94/89/186349489.db2.gz HLELJRDPRYERNW-LBPRGKRZSA-N 1 0 263.385 2.421 10 0 CEAERO C[C@@H](C[NH2+]C1CCCCC1)SCCS(C)(=O)=O ZINC000111007430 186341893 /nfs/dbraw/zinc/34/18/93/186341893.db2.gz NAFPDRZPGALWLN-NSHDSACASA-N 1 0 279.471 2.075 10 0 CEAERO CC(C)[C@H](C[NH2+]C(C)(C)C)SCCS(C)(=O)=O ZINC000111007414 186341900 /nfs/dbraw/zinc/34/19/00/186341900.db2.gz ZEQGVCJTAKVIPD-NSHDSACASA-N 1 0 281.487 2.177 10 0 CEAERO CN(C(=O)c1c(N)cccc1Cl)C1CC[NH+](C)CC1 ZINC000111008055 186342427 /nfs/dbraw/zinc/34/24/27/186342427.db2.gz VJRFNRPRRXUFJO-UHFFFAOYSA-N 1 0 281.787 2.088 10 0 CEAERO Nc1cccc(Cl)c1C(=O)NCC[NH+]1CCCCC1 ZINC000111011957 186342883 /nfs/dbraw/zinc/34/28/83/186342883.db2.gz HZLSVWCVSDFEIB-UHFFFAOYSA-N 1 0 281.787 2.138 10 0 CEAERO CC[NH2+][C@@H](c1cccc(F)c1F)[C@H]1CCS(=O)(=O)C1 ZINC000111037638 186346920 /nfs/dbraw/zinc/34/69/20/186346920.db2.gz JUPODVJJTUDHRD-TVQRCGJNSA-N 1 0 289.347 2.050 10 0 CEAERO C[NH+](C)CC1CCN(c2ccc(F)cc2C(N)=S)CC1 ZINC000111031597 186347210 /nfs/dbraw/zinc/34/72/10/186347210.db2.gz ZBPIBCMZMDWSKG-UHFFFAOYSA-N 1 0 295.427 2.238 10 0 CEAERO CN(C[C@H]1CCCOC1)c1ccc(F)cc1C[NH3+] ZINC000111153674 186360765 /nfs/dbraw/zinc/36/07/65/186360765.db2.gz JSVIFRMIHWGVDH-LLVKDONJSA-N 1 0 252.333 2.147 10 0 CEAERO CCNc1ccc(C(=O)N(C)CCC[NH+](C)C)cc1 ZINC000111151833 186360874 /nfs/dbraw/zinc/36/08/74/186360874.db2.gz NVGZXRKBTYSNSZ-UHFFFAOYSA-N 1 0 263.385 2.142 10 0 CEAERO COc1ccc(N)cc1C[N@H+](C)C[C@@H]1CCCOC1 ZINC000111154520 186361190 /nfs/dbraw/zinc/36/11/90/186361190.db2.gz FBCIEIQLBGKWSX-LBPRGKRZSA-N 1 0 264.369 2.136 10 0 CEAERO C[NH2+][C@H]1c2ccccc2C[C@H]1N(C)C[C@@H]1CCCOC1 ZINC000111160801 186361655 /nfs/dbraw/zinc/36/16/55/186361655.db2.gz BRUQOLGZPKGCMP-XKQJLSEDSA-N 1 0 274.408 2.230 10 0 CEAERO C[C@@H]1CCCC[C@@]1(CN)[N@H+](C)CC1CCOCC1 ZINC000111159374 186361944 /nfs/dbraw/zinc/36/19/44/186361944.db2.gz IEUFLDUNVXONKL-HIFRSBDPSA-N 1 0 254.418 2.252 10 0 CEAERO C[C@@H]1CCCC[C@]1(CN)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111157636 186362244 /nfs/dbraw/zinc/36/22/44/186362244.db2.gz COQMCGRJGMAFIR-QLFBSQMISA-N 1 0 254.418 2.252 10 0 CEAERO CCCN(C(CC)(CC)C[NH3+])S(=O)(=O)C(C)(C)C ZINC000111071429 186351313 /nfs/dbraw/zinc/35/13/13/186351313.db2.gz JPXZQDAYZYDION-UHFFFAOYSA-N 1 0 278.462 2.344 10 0 CEAERO CCOCC[N@H+](CC)[C@@H]1CCc2cc(OC)ccc2[C@@H]1O ZINC000111121314 186354695 /nfs/dbraw/zinc/35/46/95/186354695.db2.gz XDUAPFVOELJADG-SJORKVTESA-N 1 0 293.407 2.402 10 0 CEAERO CCOCCN(CC)c1cccc(Cl)c1C(N)=[NH2+] ZINC000111119609 186355442 /nfs/dbraw/zinc/35/54/42/186355442.db2.gz MAKCUVAZERXOFN-UHFFFAOYSA-N 1 0 269.776 2.487 10 0 CEAERO CN(CC[NH+](C)C)CC(=O)c1ccc(Cl)cc1 ZINC000111139568 186357350 /nfs/dbraw/zinc/35/73/50/186357350.db2.gz RLTTYOQZVPHMGB-UHFFFAOYSA-N 1 0 254.761 2.016 10 0 CEAERO COc1ccc([C@@H](C)O)cc1CN(C)CCC[NH+](C)C ZINC000111143769 186358302 /nfs/dbraw/zinc/35/83/02/186358302.db2.gz YYJZTZACWRQWBN-CYBMUJFWSA-N 1 0 280.412 2.132 10 0 CEAERO CCN(C(=O)[C@@H]1CCOc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000111186337 186367804 /nfs/dbraw/zinc/36/78/04/186367804.db2.gz AFXAPFTYTPYYTC-DZGCQCFKSA-N 1 0 288.391 2.153 10 0 CEAERO Cc1ccccc1[C@@H](N)C[N@@H+](C)CC1CCOCC1 ZINC000111161588 186363594 /nfs/dbraw/zinc/36/35/94/186363594.db2.gz QHYFCYPXXQONOD-INIZCTEOSA-N 1 0 262.397 2.353 10 0 CEAERO C[N@@H+](Cc1cc(C(N)=S)ccc1F)C[C@@H]1CCCOC1 ZINC000111163115 186363837 /nfs/dbraw/zinc/36/38/37/186363837.db2.gz AOXODPZHAUHIEC-NSHDSACASA-N 1 0 296.411 2.318 10 0 CEAERO CC[C@@H]1CC[C@H](O)[C@H]([N@H+](C)CC2CCOCC2)C1 ZINC000111168808 186364426 /nfs/dbraw/zinc/36/44/26/186364426.db2.gz SIQBZKBGASBWRB-YUELXQCFSA-N 1 0 255.402 2.284 10 0 CEAERO CC(C)[NH2+]C[C@@H](C(C)C)N(C)C[C@@H]1CCCOC1 ZINC000111174734 186364636 /nfs/dbraw/zinc/36/46/36/186364636.db2.gz HOBTWRXMINIXDJ-GJZGRUSLSA-N 1 0 256.434 2.367 10 0 CEAERO CN(C)C[C@H]([NH2+]C[C@H]1CCCOC1)c1ccccc1 ZINC000111317913 186395320 /nfs/dbraw/zinc/39/53/20/186395320.db2.gz BDGLWCMWTQOALV-ZBFHGGJFSA-N 1 0 262.397 2.306 10 0 CEAERO CN(C)c1nnc(S[C@H](C[NH3+])c2ccccc2)s1 ZINC000111315231 186395912 /nfs/dbraw/zinc/39/59/12/186395912.db2.gz LYJXJQQCTVJVDQ-SNVBAGLBSA-N 1 0 280.422 2.396 10 0 CEAERO CC[NH2+]C[C@@]1(CN(CC)CC(F)(F)F)CCCOC1 ZINC000111326204 186398631 /nfs/dbraw/zinc/39/86/31/186398631.db2.gz MTPAVRKTCXDZGT-GFCCVEGCSA-N 1 0 282.350 2.277 10 0 CEAERO CC[NH2+]C[C@]1(CN(CC)Cc2ccncc2)CCCOC1 ZINC000111326790 186398679 /nfs/dbraw/zinc/39/86/79/186398679.db2.gz NAUUCNCAGVRWHL-KRWDZBQOSA-N 1 0 291.439 2.310 10 0 CEAERO CC(C)(C)[NH2+]C[C@]1(CN2CCOC(C)(C)C2)CCCOC1 ZINC000111325801 186398724 /nfs/dbraw/zinc/39/87/24/186398724.db2.gz ODUVDGQVQHXNGC-KRWDZBQOSA-N 1 0 298.471 2.282 10 0 CEAERO CC(C)[NH2+]C[C@@]1(CN(C)Cc2cscn2)CCCOC1 ZINC000111326279 186398894 /nfs/dbraw/zinc/39/88/94/186398894.db2.gz VQPJBZQOIPHOEF-OAHLLOKOSA-N 1 0 297.468 2.370 10 0 CEAERO Cc1nnc([C@@]2(C(F)(F)F)CC[NH2+]C2)n1-c1ccccc1 ZINC000111241399 186374203 /nfs/dbraw/zinc/37/42/03/186374203.db2.gz ROUNMUHVYSUSTP-CYBMUJFWSA-N 1 0 296.296 2.369 10 0 CEAERO C[C@H](NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)c1cccs1 ZINC000111243755 186375736 /nfs/dbraw/zinc/37/57/36/186375736.db2.gz ZUBVGXIPKAJSEH-KWQFWETISA-N 1 0 292.326 2.467 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1c1nc(C2(c3ccccc3)CC2)no1 ZINC000111256772 186379526 /nfs/dbraw/zinc/37/95/26/186379526.db2.gz MBHZRNRSBUQSKD-DGCLKSJQSA-N 1 0 269.348 2.472 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc2ncccc21 ZINC000111263003 186380739 /nfs/dbraw/zinc/38/07/39/186380739.db2.gz SSWYEZXSTRQOMM-PWSUYJOCSA-N 1 0 255.321 2.029 10 0 CEAERO CCOc1cc(F)ccc1NC(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000111266876 186382668 /nfs/dbraw/zinc/38/26/68/186382668.db2.gz YEPKMLPPWVEROV-KOLCDFICSA-N 1 0 266.316 2.018 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@@H]1c1cccs1 ZINC000111268056 186382840 /nfs/dbraw/zinc/38/28/40/186382840.db2.gz GATHRXPRXAGWCF-IJLUTSLNSA-N 1 0 264.394 2.267 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(Cc1ccsc1)C1CC1 ZINC000111270763 186383813 /nfs/dbraw/zinc/38/38/13/186383813.db2.gz ZZEFSBFPEYPPEW-ZWNOBZJWSA-N 1 0 264.394 2.095 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CCC[C@@H]1C1CCCCC1 ZINC000111269289 186383937 /nfs/dbraw/zinc/38/39/37/186383937.db2.gz MLVYKXSGKWUORV-VHDGCEQUSA-N 1 0 264.413 2.413 10 0 CEAERO Cc1ccc2cccc(NC(=O)[C@H]3C[NH2+]C[C@@H]3C)c2n1 ZINC000111272641 186385052 /nfs/dbraw/zinc/38/50/52/186385052.db2.gz BPNPWDJSPSVZHG-GWCFXTLKSA-N 1 0 269.348 2.337 10 0 CEAERO Cc1cc(C)cc(NC(=O)c2ccc(C[NH3+])cn2)c1 ZINC000111281118 186387744 /nfs/dbraw/zinc/38/77/44/186387744.db2.gz ZYBIRDKEGZOQLX-UHFFFAOYSA-N 1 0 255.321 2.409 10 0 CEAERO [NH3+]Cc1ccc(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)nc1 ZINC000111281610 186388062 /nfs/dbraw/zinc/38/80/62/186388062.db2.gz ZNJJLWNIOFXEJL-ZIAGYGMSSA-N 1 0 273.380 2.193 10 0 CEAERO CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(C[NH3+])cn1 ZINC000111281791 186388238 /nfs/dbraw/zinc/38/82/38/186388238.db2.gz XTNANQFGULMGQK-QWHCGFSZSA-N 1 0 261.369 2.239 10 0 CEAERO COCC[N@H+](C)CCNc1ccc(N)cc1C(F)F ZINC000111292027 186390726 /nfs/dbraw/zinc/39/07/26/186390726.db2.gz ACEXSLFYLXAGOG-UHFFFAOYSA-N 1 0 273.327 2.197 10 0 CEAERO CCCc1c(Cl)ncnc1NC[C@@H]1CC[N@H+](C)C1 ZINC000111296631 186392364 /nfs/dbraw/zinc/39/23/64/186392364.db2.gz ZBZIJUDWOQKXSQ-JTQLQIEISA-N 1 0 268.792 2.446 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccc(N(C)Cc2nccn2C)cc1 ZINC000111500161 186424855 /nfs/dbraw/zinc/42/48/55/186424855.db2.gz GTHNHZUFLKGWSH-CQSZACIVSA-N 1 0 272.396 2.336 10 0 CEAERO CCC[NH2+]C[C@@H]1CCCCN1CC(=O)NC1CCCCC1 ZINC000111702127 186446351 /nfs/dbraw/zinc/44/63/51/186446351.db2.gz OTZBKYQUGYMDMP-INIZCTEOSA-N 1 0 295.471 2.289 10 0 CEAERO CC(C)CNC(=O)CN1CCCC[C@H]1C[NH2+]C(C)(C)C ZINC000111703864 186448375 /nfs/dbraw/zinc/44/83/75/186448375.db2.gz BHQFQFLMJUTABD-AWEZNQCLSA-N 1 0 283.460 2.001 10 0 CEAERO CC[NH2+][C@@H](C)[C@H]1CCCCN1CC(=O)Nc1ccccc1 ZINC000111711875 186449102 /nfs/dbraw/zinc/44/91/02/186449102.db2.gz SHNHTJIOWPKHDA-GOEBONIOSA-N 1 0 289.423 2.478 10 0 CEAERO C[C@H]1Cc2ccccc2N1CCOC1CC[NH2+]CC1 ZINC000111760531 186453601 /nfs/dbraw/zinc/45/36/01/186453601.db2.gz BYUOTZLJRGAGGG-ZDUSSCGKSA-N 1 0 260.381 2.206 10 0 CEAERO CCOc1cccc(NCCCOC2CC[NH2+]CC2)n1 ZINC000111792421 186458028 /nfs/dbraw/zinc/45/80/28/186458028.db2.gz MRAMUYVFTIMRGF-UHFFFAOYSA-N 1 0 279.384 2.051 10 0 CEAERO CCC(CC)N(CC[NH3+])C(=O)c1ccc2c(c1)CCO2 ZINC000111368505 186407478 /nfs/dbraw/zinc/40/74/78/186407478.db2.gz AUZXXCSFRSCIBX-UHFFFAOYSA-N 1 0 276.380 2.211 10 0 CEAERO COc1cccc(OC)c1C(=O)N1CCC[C@@H]1CCC[NH3+] ZINC000111371129 186408991 /nfs/dbraw/zinc/40/89/91/186408991.db2.gz JFKFABDOLHLDBP-LBPRGKRZSA-N 1 0 292.379 2.047 10 0 CEAERO CC(C)[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1cccs1 ZINC000112453330 186499031 /nfs/dbraw/zinc/49/90/31/186499031.db2.gz ZMPIDVXRRYIBPF-JSGCOSHPSA-N 1 0 268.426 2.365 10 0 CEAERO CC[C@@H]1C[NH2+]CCN1Cc1ccc2ccccc2n1 ZINC000113217779 186560565 /nfs/dbraw/zinc/56/05/65/186560565.db2.gz VDDAYHLZOBJNMR-OAHLLOKOSA-N 1 0 255.365 2.419 10 0 CEAERO [NH3+]Cc1ccc(C(=O)NC[C@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000113336616 186571607 /nfs/dbraw/zinc/57/16/07/186571607.db2.gz KOWNFTPPKGYPGW-NWANDNLSSA-N 1 0 258.365 2.311 10 0 CEAERO CN(C)c1nnc(SCC[C@H]2CCC[NH2+]C2)s1 ZINC000113462105 186580014 /nfs/dbraw/zinc/58/00/14/186580014.db2.gz XWQJIXITKIIKKU-SECBINFHSA-N 1 0 272.443 2.086 10 0 CEAERO CNC(=O)c1ccc(C[NH2+][C@H]2COc3ccccc32)cc1 ZINC000070070216 363025791 /nfs/dbraw/zinc/02/57/91/363025791.db2.gz HYZMIDNEWLSFTK-HNNXBMFYSA-N 1 0 282.343 2.270 10 0 CEAERO O[C@H](C[NH2+]CC[C@@H]1CC=CCC1)COCc1ccco1 ZINC000629597398 351427620 /nfs/dbraw/zinc/42/76/20/351427620.db2.gz JPNSVFVBQHZVDZ-HUUCEWRRSA-N 1 0 279.380 2.493 10 0 CEAERO C[C@@H](CC(=O)N1CC[C@]2(CC[NH2+]C2)C1)C(C)(C)C ZINC000261559199 295827851 /nfs/dbraw/zinc/82/78/51/295827851.db2.gz DPEMLDGRIMNNIS-WFASDCNBSA-N 1 0 252.402 2.271 10 0 CEAERO C[C@H]1C[N@H+](Cc2c[nH]nc2-c2cccnc2)CCS1 ZINC000131405396 366050575 /nfs/dbraw/zinc/05/05/75/366050575.db2.gz SIJNXPXNOWLXNU-NSHDSACASA-N 1 0 274.393 2.409 10 0 CEAERO CCc1cc(N2CC[NH2+]CC2)nc(-c2ccccc2F)n1 ZINC000070451625 363083874 /nfs/dbraw/zinc/08/38/74/363083874.db2.gz VYFFSQOFDXHGRM-UHFFFAOYSA-N 1 0 286.354 2.255 10 0 CEAERO CSC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000131428830 366052593 /nfs/dbraw/zinc/05/25/93/366052593.db2.gz XLQGCUXZNNBWES-OCCSQVGLSA-N 1 0 280.437 2.027 10 0 CEAERO CCc1ccc(CN2C[C@H](OC)C[C@@]2(C)C[NH3+])cc1 ZINC000630366201 351713101 /nfs/dbraw/zinc/71/31/01/351713101.db2.gz UICQINMPYMVRFK-CVEARBPZSA-N 1 0 262.397 2.187 10 0 CEAERO CO[C@@H]1CN(Cc2cc(F)ccc2C)[C@](C)(C[NH3+])C1 ZINC000630368073 351714659 /nfs/dbraw/zinc/71/46/59/351714659.db2.gz QFAPNOAWXVWYBJ-GJZGRUSLSA-N 1 0 266.360 2.072 10 0 CEAERO [NH3+][C@H]1CCCCCN(c2cnc3ccccc3n2)C1 ZINC000630550793 351781378 /nfs/dbraw/zinc/78/13/78/351781378.db2.gz VGDNPTWMPCLHDQ-LBPRGKRZSA-N 1 0 256.353 2.338 10 0 CEAERO CCCOc1nccnc1N1CCC(CC[NH2+]C)CC1 ZINC000630512722 351767276 /nfs/dbraw/zinc/76/72/76/351767276.db2.gz SQFOFUAAIOZBRI-UHFFFAOYSA-N 1 0 278.400 2.091 10 0 CEAERO COc1cccnc1N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000630518069 351769990 /nfs/dbraw/zinc/76/99/90/351769990.db2.gz WBFWKTOZTBKIAW-AWEZNQCLSA-N 1 0 275.396 2.306 10 0 CEAERO C[NH2+]CCOCCNc1nc(C)nc2sc(C)c(C)c21 ZINC000630530431 351773744 /nfs/dbraw/zinc/77/37/44/351773744.db2.gz JSWVFYWRDWOBBR-UHFFFAOYSA-N 1 0 294.424 2.264 10 0 CEAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3cncs3)C2)n1 ZINC000121926520 187005253 /nfs/dbraw/zinc/00/52/53/187005253.db2.gz GVPFJLMBDMFUBX-CYBMUJFWSA-N 1 0 291.424 2.264 10 0 CEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H](C)C1CCOCC1 ZINC000123071779 187069059 /nfs/dbraw/zinc/06/90/59/187069059.db2.gz DGBDHYHDQBSONU-ZFWWWQNUSA-N 1 0 284.444 2.142 10 0 CEAERO Cc1cnn([C@H]2CCC[N@@H+](Cc3cccn3C)C2)c1 ZINC000123099362 187070805 /nfs/dbraw/zinc/07/08/05/187070805.db2.gz FNTXDXLPWUKMEW-HNNXBMFYSA-N 1 0 258.369 2.367 10 0 CEAERO Cc1ccc(C[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1C ZINC000122715400 187047417 /nfs/dbraw/zinc/04/74/17/187047417.db2.gz FZAIMDRLJGYLCU-OAHLLOKOSA-N 1 0 260.381 2.356 10 0 CEAERO Cc1nn(C)cc1C[N@@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000122730781 187048085 /nfs/dbraw/zinc/04/80/85/187048085.db2.gz ISCLCXSCPCKBCT-HNNXBMFYSA-N 1 0 287.411 2.416 10 0 CEAERO Cc1cnn(CC[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)c1 ZINC000124111917 187122496 /nfs/dbraw/zinc/12/24/96/187122496.db2.gz MFVCTKUPRIDXRN-ZDUSSCGKSA-N 1 0 287.363 2.314 10 0 CEAERO C[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1F)N1CCOCC1 ZINC000123258555 187080702 /nfs/dbraw/zinc/08/07/02/187080702.db2.gz MJVHUJKKLUABGD-NEPJUHHUSA-N 1 0 284.350 2.336 10 0 CEAERO CC[C@@](C)(O)C[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000123301917 187083507 /nfs/dbraw/zinc/08/35/07/187083507.db2.gz KPBLJMROPMTQKQ-QGZVFWFLSA-N 1 0 294.414 2.494 10 0 CEAERO CC[C@H]([NH2+]C[C@@H](C)N1CCOCC1)c1ccc(OC)cc1 ZINC000123351400 187086903 /nfs/dbraw/zinc/08/69/03/187086903.db2.gz VNNBSSSYLUIVIB-PBHICJAKSA-N 1 0 292.423 2.457 10 0 CEAERO COC[C@@H](Cc1ccccc1)[NH2+]CCn1cc(C)cn1 ZINC000123895226 187113423 /nfs/dbraw/zinc/11/34/23/187113423.db2.gz NJMJWPPXUQYCCN-MRXNPFEDSA-N 1 0 273.380 2.039 10 0 CEAERO COC[C@H](Cc1ccccc1)[NH2+]CCn1cc(C)cn1 ZINC000123894995 187113649 /nfs/dbraw/zinc/11/36/49/187113649.db2.gz NJMJWPPXUQYCCN-INIZCTEOSA-N 1 0 273.380 2.039 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)NCC1(CCOCC)CCCC1 ZINC000236939181 370660130 /nfs/dbraw/zinc/66/01/30/370660130.db2.gz MYHBEIWLIKHXON-CYBMUJFWSA-N 1 0 270.417 2.217 10 0 CEAERO CCC[NH2+][C@H](CCO)CN1CCCc2cc(C)ccc21 ZINC000085921637 535192043 /nfs/dbraw/zinc/19/20/43/535192043.db2.gz QJSDHKVTSDMKMD-MRXNPFEDSA-N 1 0 276.424 2.498 10 0 CEAERO COC[C@@H](O)C[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000156750285 188280298 /nfs/dbraw/zinc/28/02/98/188280298.db2.gz QEIUWDCLRBVXRN-ZFWWWQNUSA-N 1 0 263.381 2.297 10 0 CEAERO CSCC[C@@H]([NH3+])C(=O)NCC1(Cc2ccccc2)CC1 ZINC000157804162 188339027 /nfs/dbraw/zinc/33/90/27/188339027.db2.gz CIVSEHMKDCIPCU-CQSZACIVSA-N 1 0 292.448 2.206 10 0 CEAERO O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)C1CC[NH2+]CC1 ZINC000037042532 295866200 /nfs/dbraw/zinc/86/62/00/295866200.db2.gz BOVXUYQELVMAQF-QWRGUYRKSA-N 1 0 278.318 2.223 10 0 CEAERO [NH3+][C@H](CNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1)C1CC1 ZINC000252682423 540007231 /nfs/dbraw/zinc/00/72/31/540007231.db2.gz BYWRGSDCPDXDPR-OAGGEKHMSA-N 1 0 288.391 2.008 10 0 CEAERO Fc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCc2ncnn2C1 ZINC000183217706 282995750 /nfs/dbraw/zinc/99/57/50/282995750.db2.gz IBASJMZUSBEKRK-DZGCQCFKSA-N 1 0 286.354 2.399 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H]2CC=CCC2)C1 ZINC000132458792 366145882 /nfs/dbraw/zinc/14/58/82/366145882.db2.gz GYSRHYBVAXZYDD-ILXRZTDVSA-N 1 0 279.428 2.371 10 0 CEAERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)C1 ZINC000133070633 366193144 /nfs/dbraw/zinc/19/31/44/366193144.db2.gz KKGVJRZOWAWJOR-GOEBONIOSA-N 1 0 299.422 2.402 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC1(C2CC2)CCC1 ZINC000133281128 366210333 /nfs/dbraw/zinc/21/03/33/366210333.db2.gz TXSKWLBXWQHWIC-UKRRQHHQSA-N 1 0 291.439 2.445 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCc1cccc2cccnc21 ZINC000159351412 540081019 /nfs/dbraw/zinc/08/10/19/540081019.db2.gz FHHRZOJAMVRAIR-HIFRSBDPSA-N 1 0 283.375 2.226 10 0 CEAERO COc1ccc(CN2C[C@H]([NH2+]CC(C)C)CC2=O)cc1 ZINC000675069185 540109204 /nfs/dbraw/zinc/10/92/04/540109204.db2.gz CPWIQKVVBBYHDU-CQSZACIVSA-N 1 0 276.380 2.042 10 0 CEAERO C[C@@H](C[NH3+])[C@@H](O)c1sccc1Br ZINC000083563891 540118335 /nfs/dbraw/zinc/11/83/35/540118335.db2.gz YNCVDLAKOOAPGM-CAHLUQPWSA-N 1 0 250.161 2.139 10 0 CEAERO CNc1ccc(C[N@H+](CCOC)[C@@H](C)C2CC2)cn1 ZINC000050816726 522606433 /nfs/dbraw/zinc/60/64/33/522606433.db2.gz GJGFORZXHZKXQW-LBPRGKRZSA-N 1 0 263.385 2.370 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@]2(CC1)OCC[C@@H]2C[NH3+] ZINC000675080437 540119677 /nfs/dbraw/zinc/11/96/77/540119677.db2.gz QOXGVRKVDHHCOR-IUODEOHRSA-N 1 0 284.400 2.141 10 0 CEAERO C[C@@H]1CCN(C(=O)[C@H]2CCc3ccccc32)[C@H](C[NH3+])C1 ZINC000261866682 540155262 /nfs/dbraw/zinc/15/52/62/540155262.db2.gz RYPFSQOVXUTNJQ-INWMFGNUSA-N 1 0 272.392 2.302 10 0 CEAERO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCCN(CCO)C2)CC1 ZINC000384793866 540218285 /nfs/dbraw/zinc/21/82/85/540218285.db2.gz XFMJMZKELUUNQF-PMPSAXMXSA-N 1 0 268.445 2.392 10 0 CEAERO CC[NH+](CC)C[C@H](C)Nc1nccnc1C(C)C ZINC000413082722 540224935 /nfs/dbraw/zinc/22/49/35/540224935.db2.gz JFMKXCQKHKJKRV-LBPRGKRZSA-N 1 0 250.390 2.164 10 0 CEAERO C[C@@H](C[NH2+][C@H]1CCc2ncnn2C1)Cc1ccccc1 ZINC000133867244 366263004 /nfs/dbraw/zinc/26/30/04/366263004.db2.gz SYOTVFPRULIVQG-HIFRSBDPSA-N 1 0 270.380 2.061 10 0 CEAERO C[C@H](C[NH3+])Nc1ccc(I)cc1F ZINC000575494396 366291614 /nfs/dbraw/zinc/29/16/14/366291614.db2.gz YTIGBEVYQMYGHW-ZCFIWIBFSA-N 1 0 294.111 2.189 10 0 CEAERO [NH3+][C@@H]1CO[C@@H](c2cccc(I)c2)C1 ZINC000575470908 366291388 /nfs/dbraw/zinc/29/13/88/366291388.db2.gz LEZFDPNDOIYHQM-VHSXEESVSA-N 1 0 289.116 2.080 10 0 CEAERO CCN(CC)c1ncc(C[NH2+][C@@H]2CCO[C@@H]2C)s1 ZINC000134246067 366302439 /nfs/dbraw/zinc/30/24/39/366302439.db2.gz HGIHNUWONCEVLY-ZYHUDNBSSA-N 1 0 269.414 2.256 10 0 CEAERO [NH3+][C@@H]1COC[C@@H]1Cc1sccc1Br ZINC000575531517 366295135 /nfs/dbraw/zinc/29/51/35/366295135.db2.gz PRSDYWXBKUXYTH-POYBYMJQSA-N 1 0 262.172 2.027 10 0 CEAERO [NH3+]Cc1ccnc(Br)c1Br ZINC000575624045 366306308 /nfs/dbraw/zinc/30/63/08/366306308.db2.gz KZYREBNZXCNRSE-UHFFFAOYSA-N 1 0 265.936 2.065 10 0 CEAERO C[C@@H]1COC[C@]1([NH3+])c1cscc1Br ZINC000575568361 366295811 /nfs/dbraw/zinc/29/58/11/366295811.db2.gz CNABZLJECVGOQA-HZGVNTEJSA-N 1 0 262.172 2.331 10 0 CEAERO C[C@@H]1C[C@@]([NH3+])(c2cscc2Br)CO1 ZINC000575566321 366296169 /nfs/dbraw/zinc/29/61/69/366296169.db2.gz UBRMBZIPDINDCE-MUWHJKNJSA-N 1 0 262.172 2.473 10 0 CEAERO C[C@H](NC(=O)C(C)(C)[NH3+])c1ccc(F)c(Cl)c1 ZINC000076317310 363536641 /nfs/dbraw/zinc/53/66/41/363536641.db2.gz HMJZEUOOEVAUJF-ZETCQYMHSA-N 1 0 258.724 2.394 10 0 CEAERO CCc1cc(I)c(OC)cc1C[NH3+] ZINC000575724687 366348042 /nfs/dbraw/zinc/34/80/42/366348042.db2.gz AXFDCPGVZYXGFW-UHFFFAOYSA-N 1 0 291.132 2.321 10 0 CEAERO COCC[NH+]1CCC(CNc2nc3ccccc3[nH]2)CC1 ZINC000134928767 366375862 /nfs/dbraw/zinc/37/58/62/366375862.db2.gz LCHZPSKPROCPKL-UHFFFAOYSA-N 1 0 288.395 2.333 10 0 CEAERO C[N@H+](CCNC(=O)[C@@H]1C[C@H]2C[C@H]2C1)Cc1ccccc1 ZINC000386664665 540262819 /nfs/dbraw/zinc/26/28/19/540262819.db2.gz FEQCGHYNJSCSRX-MUJYYYPQSA-N 1 0 272.392 2.281 10 0 CEAERO CC[C@@H]1CCCN(C(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000079339398 363590755 /nfs/dbraw/zinc/59/07/55/363590755.db2.gz FNVUGFOXLQDFRE-KGLIPLIRSA-N 1 0 252.402 2.415 10 0 CEAERO COc1ccc(C[N@@H+]2CCC[C@@H](O)[C@@H]2C)cc1F ZINC000294919367 199247890 /nfs/dbraw/zinc/24/78/90/199247890.db2.gz FNTAKDIUKVGJMF-GXFFZTMASA-N 1 0 253.317 2.180 10 0 CEAERO C[C@@]1(C(=O)N2CCC[C@@H](C(F)(F)F)C2)CCCC[NH2+]1 ZINC000136139160 366498462 /nfs/dbraw/zinc/49/84/62/366498462.db2.gz YPBJAFOQROQHGE-PWSUYJOCSA-N 1 0 278.318 2.320 10 0 CEAERO [NH3+]CC1(C(=O)N[C@H]2CCOc3ccccc32)CCCC1 ZINC000051987584 283424511 /nfs/dbraw/zinc/42/45/11/283424511.db2.gz NTKSHUKHEADIEG-ZDUSSCGKSA-N 1 0 274.364 2.146 10 0 CEAERO C/C=C(\C)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000685939261 540634853 /nfs/dbraw/zinc/63/48/53/540634853.db2.gz KCEHJFKHHGFPOW-IPAKFSETSA-N 1 0 276.355 2.354 10 0 CEAERO Brc1cncc([C@]23CC[C@H]2CC[NH2+]3)c1 ZINC000685946948 540638886 /nfs/dbraw/zinc/63/88/86/540638886.db2.gz HFABCGYLTQDXFJ-KWQFWETISA-N 1 0 253.143 2.443 10 0 CEAERO CC(C)N1CC[C@@H]([NH3+])[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000685954148 540649475 /nfs/dbraw/zinc/64/94/75/540649475.db2.gz LMAHXKFIGJWOKP-CZUORRHYSA-N 1 0 297.443 2.198 10 0 CEAERO CC(C)[N@@H+]1CC[C@H](N)C12CCN(C(=O)OC(C)(C)C)CC2 ZINC000685955155 540650625 /nfs/dbraw/zinc/65/06/25/540650625.db2.gz UUKZJVFSPQPXMZ-ZDUSSCGKSA-N 1 0 297.443 2.198 10 0 CEAERO CCC[C@@H](C(=O)Nc1ccc(-c2nnco2)cc1)[NH+](C)C ZINC000138064977 366550632 /nfs/dbraw/zinc/55/06/32/366550632.db2.gz ADLHYSPTSHLAOV-ZDUSSCGKSA-N 1 0 288.351 2.405 10 0 CEAERO Cc1cc([C@H]2C[NH2+]C[C@]2(C)N)ccc1Br ZINC000685965602 540664260 /nfs/dbraw/zinc/66/42/60/540664260.db2.gz KZPMLTXXKQDYTO-PWSUYJOCSA-N 1 0 269.186 2.162 10 0 CEAERO OC1CC(CC[NH2+]Cc2ccnc3ccccc23)C1 ZINC000571238624 299301077 /nfs/dbraw/zinc/30/10/77/299301077.db2.gz XVOMRGIYWIVIDH-UHFFFAOYSA-N 1 0 256.349 2.485 10 0 CEAERO CC(F)(F)Cc1nc([C@H]2CN3CCCC[C@H]3CO2)no1 ZINC000329579398 202395891 /nfs/dbraw/zinc/39/58/91/202395891.db2.gz KSVKAHQJDZDMFS-VHSXEESVSA-N 1 0 287.310 2.193 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)C1 ZINC000151649010 366657132 /nfs/dbraw/zinc/65/71/32/366657132.db2.gz ICXGHVAXVAUYCD-AWEZNQCLSA-N 1 0 299.378 2.245 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000216822992 283525673 /nfs/dbraw/zinc/52/56/73/283525673.db2.gz AAOKEYFKLWVFCS-OEXLFXSVSA-N 1 0 250.386 2.199 10 0 CEAERO C[C@@H]1C[N@H+](C/C=C/c2ccccc2)C[C@@H]1N1CCOCC1 ZINC000177241696 189038861 /nfs/dbraw/zinc/03/88/61/189038861.db2.gz UZYLOJKETRDKHL-QWYBNYMASA-N 1 0 286.419 2.352 10 0 CEAERO C[C@@H]([NH3+])[C@@H]1CCCN(c2nccc(C(F)(F)F)n2)C1 ZINC000081585698 363732608 /nfs/dbraw/zinc/73/26/08/363732608.db2.gz NLUMAZLHRGSSBJ-RKDXNWHRSA-N 1 0 274.290 2.059 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C(=O)OC)c1ccccc1 ZINC000177700204 189064566 /nfs/dbraw/zinc/06/45/66/189064566.db2.gz QMGVLZQJJYUDNQ-HOTGVXAUSA-N 1 0 290.407 2.317 10 0 CEAERO C[C@@H]([NH3+])CCNC(=O)[C@]1(C)CCCc2ccccc21 ZINC000178618891 296019527 /nfs/dbraw/zinc/01/95/27/296019527.db2.gz YLWXZSFDWLBRRY-MLGOLLRUSA-N 1 0 260.381 2.134 10 0 CEAERO CCC[C@@H](C(=O)N1CCc2ccc(F)cc21)[NH+](C)C ZINC000178654775 189134880 /nfs/dbraw/zinc/13/48/80/189134880.db2.gz JEEPPDSJGGHGFA-ZDUSSCGKSA-N 1 0 264.344 2.445 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]2CN(c3ncccc3Cl)C[C@@H]21 ZINC000230133625 283580642 /nfs/dbraw/zinc/58/06/42/283580642.db2.gz LBQCCZKUBNUEQZ-JFGNBEQYSA-N 1 0 251.761 2.299 10 0 CEAERO CCC[C@@H](C(=O)N[C@H]1CCOc2ccc(F)cc21)[NH+](C)C ZINC000179260942 189181394 /nfs/dbraw/zinc/18/13/94/189181394.db2.gz NFKNXNGKRFQLAD-KBPBESRZSA-N 1 0 294.370 2.496 10 0 CEAERO c1ccc2c(c1)C=C(CN1CC[N@@H+]3CCC[C@@H]3C1)CO2 ZINC000179548125 189201705 /nfs/dbraw/zinc/20/17/05/189201705.db2.gz NFISAUKXGKNYHN-MRXNPFEDSA-N 1 0 270.376 2.242 10 0 CEAERO O=C1NCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000676234755 540907491 /nfs/dbraw/zinc/90/74/91/540907491.db2.gz MNKAUICEUFYOLF-MRXNPFEDSA-N 1 0 266.344 2.332 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cccc2nccn21 ZINC000180161873 189240587 /nfs/dbraw/zinc/24/05/87/189240587.db2.gz AAUCZXPPEJPXAY-AWEZNQCLSA-N 1 0 272.396 2.250 10 0 CEAERO C[C@H]([NH2+]CC(=O)N(C)C1CC1)c1cccc(-n2ccnc2)c1 ZINC000180649570 189267932 /nfs/dbraw/zinc/26/79/32/189267932.db2.gz NAHOSVAIMNLNGT-ZDUSSCGKSA-N 1 0 298.390 2.144 10 0 CEAERO O=C(c1ccccc1OC(F)F)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000002790956 361251115 /nfs/dbraw/zinc/25/11/15/361251115.db2.gz WQVMZNYFTFPWGT-LLVKDONJSA-N 1 0 296.317 2.208 10 0 CEAERO C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)Cc1ccccc1F)C2 ZINC000004300803 361310869 /nfs/dbraw/zinc/31/08/69/361310869.db2.gz WSKHBFGUDAWDLB-AGUYFDCRSA-N 1 0 276.355 2.110 10 0 CEAERO CCOCCC1(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)CCCC1 ZINC000237041911 370683547 /nfs/dbraw/zinc/68/35/47/370683547.db2.gz OJXKNXRAPDOPNF-UONOGXRCSA-N 1 0 282.428 2.217 10 0 CEAERO [NH3+]CCCS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000011896991 361368972 /nfs/dbraw/zinc/36/89/72/361368972.db2.gz ONDHEPBAPXNHFU-UHFFFAOYSA-N 1 0 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CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](O)C[C@H]1C ZINC000639941472 371691418 /nfs/dbraw/zinc/69/14/18/371691418.db2.gz YIEHMKLSPLVDHW-RRFJBIMHSA-N 1 0 284.444 2.163 10 0 CEAERO CC(C)n1ncc2cc(CN3CC[C@](C)(C[NH3+])C3)cnc21 ZINC000261653519 371693987 /nfs/dbraw/zinc/69/39/87/371693987.db2.gz FHQUTEUFZZROEY-MRXNPFEDSA-N 1 0 287.411 2.183 10 0 CEAERO Cc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)ccc1F ZINC000261992588 371792392 /nfs/dbraw/zinc/79/23/92/371792392.db2.gz SXXGTOFARKUFDO-DJIMGWMZSA-N 1 0 292.398 2.381 10 0 CEAERO Cc1ccsc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000261896795 371765127 /nfs/dbraw/zinc/76/51/27/371765127.db2.gz HGAGNEGVCWHQGN-MJBXVCDLSA-N 1 0 280.437 2.303 10 0 CEAERO COc1ccc(OC(F)F)c(CN2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000262045923 371811314 /nfs/dbraw/zinc/81/13/14/371811314.db2.gz PRDBVRRIWXNGSD-JOYOIKCWSA-N 1 0 286.322 2.076 10 0 CEAERO COC[C@H]([NH3+])C(=O)N[C@H](C)c1ccc(SC(C)C)cc1 ZINC000262272626 371845816 /nfs/dbraw/zinc/84/58/16/371845816.db2.gz KNYFZHRBJNJUHG-RISCZKNCSA-N 1 0 296.436 2.338 10 0 CEAERO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000262496508 371868131 /nfs/dbraw/zinc/86/81/31/371868131.db2.gz ZSZWSBWQYLAJHS-HOTGVXAUSA-N 1 0 290.407 2.019 10 0 CEAERO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)[C@H]1CCCC[NH2+]1 ZINC000262496506 371868256 /nfs/dbraw/zinc/86/82/56/371868256.db2.gz ZSZWSBWQYLAJHS-CVEARBPZSA-N 1 0 290.407 2.019 10 0 CEAERO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000262607668 371884121 /nfs/dbraw/zinc/88/41/21/371884121.db2.gz CEJRHGSGTYEVTE-PMPSAXMXSA-N 1 0 290.407 2.004 10 0 CEAERO Cc1ccc([C@H]([NH3+])C(=O)NC[C@H]2CCO[C@H]2C(C)C)cc1 ZINC000262655070 371893447 /nfs/dbraw/zinc/89/34/47/371893447.db2.gz MEOVHZIZZYRIPQ-PMPSAXMXSA-N 1 0 290.407 2.172 10 0 CEAERO CCC[C@](C)([NH3+])C(=O)Nc1ccnc2ccncc21 ZINC000262674267 371894118 /nfs/dbraw/zinc/89/41/18/371894118.db2.gz QTDCDGJBGONITI-AWEZNQCLSA-N 1 0 258.325 2.086 10 0 CEAERO CC(C)n1ccnc1Cn1cc([C@@H]([NH3+])C(C)(C)C)nn1 ZINC000641051849 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290.407 2.050 10 0 CEAERO CC[C@@H]1CCCN(C(=O)C2(CCOC)CC[NH2+]CC2)C1 ZINC000643644576 373229514 /nfs/dbraw/zinc/22/95/14/373229514.db2.gz ZADMWUWEBUVKCV-CQSZACIVSA-N 1 0 282.428 2.041 10 0 CEAERO COC[C@]1(C(=O)N2CCC[C@H](C(C)C)CC2)CCC[NH2+]1 ZINC000643699365 373238475 /nfs/dbraw/zinc/23/84/75/373238475.db2.gz OERKZPGYLLQANM-HOCLYGCPSA-N 1 0 282.428 2.040 10 0 CEAERO COCCC1(c2nc(-c3ccsc3)no2)CC[NH2+]CC1 ZINC000643935691 373306333 /nfs/dbraw/zinc/30/63/33/373306333.db2.gz CGPATVMJNGRPDC-UHFFFAOYSA-N 1 0 293.392 2.456 10 0 CEAERO COC[C@@]1(c2nc(-c3cccs3)no2)CCC[NH2+]1 ZINC000643936058 373306388 /nfs/dbraw/zinc/30/63/88/373306388.db2.gz WGNHUMZGPOFFGQ-GFCCVEGCSA-N 1 0 265.338 2.023 10 0 CEAERO C[C@H](NC(=O)[C@@H]1C[NH2+]CCC1(F)F)c1cccs1 ZINC000644016491 373340186 /nfs/dbraw/zinc/34/01/86/373340186.db2.gz XEWZOOVJYWSDPL-IUCAKERBSA-N 1 0 274.336 2.170 10 0 CEAERO CCCCc1ccc(C(=O)NC[C@H]2CC[NH2+]C2)cc1 ZINC000644108878 373412459 /nfs/dbraw/zinc/41/24/59/373412459.db2.gz 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QAMZIQGBACTPLY-PHDIDXHHSA-N 1 0 294.161 2.246 10 0 CEAERO CC[C@H]1CC[C@@H](CN2C(=O)c3ccccc3C2=O)[NH2+]C1 ZINC000307205322 376560898 /nfs/dbraw/zinc/56/08/98/376560898.db2.gz GQEUOAVQTPVVDQ-RYUDHWBXSA-N 1 0 272.348 2.061 10 0 CEAERO C[C@H]1CC[C@@H](O)CN1Cc1ccc(Br)o1 ZINC000307662238 376569521 /nfs/dbraw/zinc/56/95/21/376569521.db2.gz HFVYGBFJDCIYKY-DTWKUNHWSA-N 1 0 274.158 2.387 10 0 CEAERO C[C@H]([NH2+]CCn1cncn1)c1cccc(Br)c1 ZINC000310317131 376621715 /nfs/dbraw/zinc/62/17/15/376621715.db2.gz VMGINEDNFCCJFW-JTQLQIEISA-N 1 0 295.184 2.391 10 0 CEAERO CO[C@](C)(C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)C1CC1 ZINC000310863554 376640225 /nfs/dbraw/zinc/64/02/25/376640225.db2.gz KXCITSJYHRWVAD-RGCMKSIDSA-N 1 0 253.386 2.205 10 0 CEAERO CCCCOC[C@H](O)C[NH+]1CCC(C)(OCC)CC1 ZINC000311636036 376679791 /nfs/dbraw/zinc/67/97/91/376679791.db2.gz JYXTZRICYKJDJQ-CQSZACIVSA-N 1 0 273.417 2.055 10 0 CEAERO C[C@@](O)(CN1CC[NH+](C2CCC2)CC1)c1ccccc1 ZINC000264991876 190150159 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C[C@@H](COCc1ccccc1)Nc1cc[nH+]cc1C(N)=O ZINC000184125586 542298147 /nfs/dbraw/zinc/29/81/47/542298147.db2.gz CQUGXSSVCCYKFT-LBPRGKRZSA-N 1 0 285.347 2.198 10 0 CEAERO C[C@@H]1OCCC[C@@H]1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000188950162 542325729 /nfs/dbraw/zinc/32/57/29/542325729.db2.gz IAQLORQBNPOMDE-BBRMVZONSA-N 1 0 294.439 2.325 10 0 CEAERO COC[C@@H](C)C[NH2+][C@H](C)COCc1ccccc1 ZINC000188059302 542319721 /nfs/dbraw/zinc/31/97/21/542319721.db2.gz ZPSFHUITNWGKKM-UONOGXRCSA-N 1 0 251.370 2.464 10 0 CEAERO Brc1cccnc1NCCC[NH2+]C1CC1 ZINC000042376046 184553544 /nfs/dbraw/zinc/55/35/44/184553544.db2.gz AVSODWSLWBLZGT-UHFFFAOYSA-N 1 0 270.174 2.398 10 0 CEAERO CCOc1ccc2[nH]c(S[C@H]3COCC[C@H]3[NH3+])nc2c1 ZINC000081839995 184596816 /nfs/dbraw/zinc/59/68/16/184596816.db2.gz XTCHGLQNFYQGCM-MFKMUULPSA-N 1 0 293.392 2.170 10 0 CEAERO N[C@](CO)(C[NH+]1CCCCCCC1)c1ccccc1 ZINC000085216495 184605159 /nfs/dbraw/zinc/60/51/59/184605159.db2.gz JDHLVWLQRRWCRE-INIZCTEOSA-N 1 0 262.397 2.099 10 0 CEAERO CCN(c1ccccc1)S(=O)(=O)c1cc(C[NH3+])oc1C ZINC000088920816 184614345 /nfs/dbraw/zinc/61/43/45/184614345.db2.gz FIXLZWYEMKUDRA-UHFFFAOYSA-N 1 0 294.376 2.262 10 0 CEAERO CCN(C1CCCC1)S(=O)(=O)c1cccc(C[NH2+]C)c1 ZINC000088959179 184615708 /nfs/dbraw/zinc/61/57/08/184615708.db2.gz MQEJBKFKMZMTQL-UHFFFAOYSA-N 1 0 296.436 2.359 10 0 CEAERO C[C@@](O)(C[NH2+]C1CC1)COc1ccc2c(c1)CCCC2 ZINC000090824188 184618281 /nfs/dbraw/zinc/61/82/81/184618281.db2.gz CPPUDSBEVWRWNE-QGZVFWFLSA-N 1 0 275.392 2.447 10 0 CEAERO C[C@H](CCO)C[NH2+]C[C@H]1CSc2ccccc21 ZINC000092275800 184619492 /nfs/dbraw/zinc/61/94/92/184619492.db2.gz QVOARPOJCPCNED-NEPJUHHUSA-N 1 0 251.395 2.484 10 0 CEAERO COCC[NH2+]C[C@@H]1CCO[C@@H]1c1cccc(OC)c1 ZINC000092882410 184633625 /nfs/dbraw/zinc/63/36/25/184633625.db2.gz HPBPPAMVIGGYBA-DZGCQCFKSA-N 1 0 265.353 2.009 10 0 CEAERO COCC[NH2+]C[C@H]1CCO[C@@H]1c1cccc(F)c1 ZINC000092882260 184633695 /nfs/dbraw/zinc/63/36/95/184633695.db2.gz VCBKFQYZUBGTQT-TZMCWYRMSA-N 1 0 253.317 2.139 10 0 CEAERO COC(=O)c1c(C)c(C)sc1NC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000092955943 184637466 /nfs/dbraw/zinc/63/74/66/184637466.db2.gz UNYXPSQCJHBCGN-WCBMZHEXSA-N 1 0 296.392 2.088 10 0 CEAERO CCN(CC)CC[NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000093205250 184655084 /nfs/dbraw/zinc/65/50/84/184655084.db2.gz CNSNYEZNGKVHQL-KBPBESRZSA-N 1 0 299.459 2.364 10 0 CEAERO CCC[C@H](C[NH3+])[C@H](O)c1cc(OC)ccc1OC ZINC000093081138 184646910 /nfs/dbraw/zinc/64/69/10/184646910.db2.gz WTOVHCOWNVNASA-YGRLFVJLSA-N 1 0 253.342 2.112 10 0 CEAERO CC[NH2+][C@@H](CC[C@@H]1CCCO1)C(OCC)OCC ZINC000093307235 184662401 /nfs/dbraw/zinc/66/24/01/184662401.db2.gz IWDHMXJQKRSGMN-STQMWFEESA-N 1 0 259.390 2.323 10 0 CEAERO CCOc1ccc([C@@H]([NH3+])C(OCC)OCC)cc1 ZINC000093306448 184662419 /nfs/dbraw/zinc/66/24/19/184662419.db2.gz YALRXQZDTWKJNF-CYBMUJFWSA-N 1 0 253.342 2.484 10 0 CEAERO CC(=O)c1ccc(NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000335443376 208471673 /nfs/dbraw/zinc/47/16/73/208471673.db2.gz HCLPDEBWFPQFAS-QMTHXVAHSA-N 1 0 260.337 2.216 10 0 CEAERO CC(C)[C@@H]1CC[C@@H](S(=O)(=O)C(C)C)[C@H](C[NH3+])C1 ZINC000725266039 542374183 /nfs/dbraw/zinc/37/41/83/542374183.db2.gz QFOVWOMIWVVGFS-FRRDWIJNSA-N 1 0 261.431 2.209 10 0 CEAERO C[C@@H](C[C@H]1CCCC[NH2+]1)Nc1ccc(CC(N)=O)cc1 ZINC000093485508 184681941 /nfs/dbraw/zinc/68/19/41/184681941.db2.gz QNLLGSQBGAYKSX-SWLSCSKDSA-N 1 0 275.396 2.047 10 0 CEAERO NC1=[NH+]C[C@@]2(CCC[C@@H](C(F)(F)F)C2)N1C1CC1 ZINC000093373550 184667938 /nfs/dbraw/zinc/66/79/38/184667938.db2.gz RSIIHGCOGXOISH-KCJUWKMLSA-N 1 0 261.291 2.270 10 0 CEAERO CC(C)N1C(=[NH2+])NC[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000093374167 184668264 /nfs/dbraw/zinc/66/82/64/184668264.db2.gz NIPJCIQMADSTLN-SNVBAGLBSA-N 1 0 257.259 2.184 10 0 CEAERO CO[C@@H]1CCC[C@@H](OC(=O)C2CCC(C[NH3+])CC2)C1 ZINC000093430800 184674018 /nfs/dbraw/zinc/67/40/18/184674018.db2.gz FHMISUWCUMEZHA-NWINJMCUSA-N 1 0 269.385 2.252 10 0 CEAERO C[C@H]([NH3+])CCCCS(=O)(=O)c1ccc2c(c1)CCC2 ZINC000081930624 177901344 /nfs/dbraw/zinc/90/13/44/177901344.db2.gz DISJJBFHJGPNJN-LBPRGKRZSA-N 1 0 281.421 2.467 10 0 CEAERO C[NH2+][C@@H]1CCCCCC[C@@H]1S(=O)(=O)CC(C)C ZINC000081928755 177899923 /nfs/dbraw/zinc/89/99/23/177899923.db2.gz YJOXUFBVISRUIB-OLZOCXBDSA-N 1 0 261.431 2.368 10 0 CEAERO CCc1ccc([C@H](C)[NH2+][C@@H](C)CS(C)(=O)=O)cc1 ZINC000081899613 177881905 /nfs/dbraw/zinc/88/19/05/177881905.db2.gz ZLMXLLASKUULFV-RYUDHWBXSA-N 1 0 269.410 2.333 10 0 CEAERO [NH3+][C@H]1CCOC[C@@H]1Sc1ncccc1Br ZINC000081894482 177879687 /nfs/dbraw/zinc/87/96/87/177879687.db2.gz UCRDQYJRJVBBOI-IUCAKERBSA-N 1 0 289.198 2.052 10 0 CEAERO CC[NH2+][C@@H](C)CCSc1nnc2ccccn21 ZINC000081881106 177876547 /nfs/dbraw/zinc/87/65/47/177876547.db2.gz KAPKCCJUTPNRLP-JTQLQIEISA-N 1 0 250.371 2.210 10 0 CEAERO Cc1cc(S[C@H]2Cc3ccccc3[C@@H]2[NH3+])n(C)n1 ZINC000081884913 177876136 /nfs/dbraw/zinc/87/61/36/177876136.db2.gz ZJIPVGXSGFEHHQ-JSGCOSHPSA-N 1 0 259.378 2.445 10 0 CEAERO CCC[NH2+][C@@H]1CCCCC[C@@H]1Sc1n[nH]c(=O)n1CC ZINC000081879795 177873757 /nfs/dbraw/zinc/87/37/57/177873757.db2.gz UWXSCWGTELQNGD-NEPJUHHUSA-N 1 0 298.456 2.384 10 0 CEAERO COCCSC[C@@H]([NH3+])c1ccc(OC)cc1OC ZINC000081778776 177858448 /nfs/dbraw/zinc/85/84/48/177858448.db2.gz PUUMEQOZAIYVKJ-GFCCVEGCSA-N 1 0 271.382 2.083 10 0 CEAERO C[NH2+][C@H]1CCCCCC[C@@H]1Sc1nnnn1C1CC1 ZINC000081867516 177867528 /nfs/dbraw/zinc/86/75/28/177867528.db2.gz SYLLBNTVQOSWRQ-RYUDHWBXSA-N 1 0 281.429 2.411 10 0 CEAERO Cc1ccc([C@@H]([NH3+])[C@H](C)Sc2nncn2C)cc1 ZINC000081867299 177867458 /nfs/dbraw/zinc/86/74/58/177867458.db2.gz VHWJYADUYWZIJD-JQWIXIFHSA-N 1 0 262.382 2.304 10 0 CEAERO CC[NH2+][C@@H](C)[C@@H](C)Sc1nnnn1C1CCCC1 ZINC000081866642 177866813 /nfs/dbraw/zinc/86/68/13/177866813.db2.gz ZWANFPGFLAXEKU-VHSXEESVSA-N 1 0 269.418 2.267 10 0 CEAERO O[C@@H]1CCCC[C@@H]1[N@@H+]1CCOc2c(F)cccc2C1 ZINC000334640859 285311085 /nfs/dbraw/zinc/31/10/85/285311085.db2.gz KHZAVFPHUNFURX-UONOGXRCSA-N 1 0 265.328 2.324 10 0 CEAERO O=C1[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2CN1c1ccsc1 ZINC000247847372 256697185 /nfs/dbraw/zinc/69/71/85/256697185.db2.gz FGZLFJWCIIIVQQ-UKRRQHHQSA-N 1 0 299.399 2.238 10 0 CEAERO O=C([C@H]1CCCCC[NH2+]1)N(Cc1ccncc1)C1CC1 ZINC000080995940 177750692 /nfs/dbraw/zinc/75/06/92/177750692.db2.gz INVIDVCSWVCRAC-OAHLLOKOSA-N 1 0 273.380 2.105 10 0 CEAERO c1nnc(CCC[NH2+]Cc2ccccc2N2CCCC2)[nH]1 ZINC000080540452 177667884 /nfs/dbraw/zinc/66/78/84/177667884.db2.gz PGHOUQMMKOQXGN-UHFFFAOYSA-N 1 0 285.395 2.127 10 0 CEAERO COCC[NH2+]Cc1cccc2c1ccn2CCCCO ZINC000080354487 177644506 /nfs/dbraw/zinc/64/45/06/177644506.db2.gz GEIAWAFUPMIVBQ-UHFFFAOYSA-N 1 0 276.380 2.150 10 0 CEAERO CC[C@@]1(C(=O)Nc2ccc(O)cc2C)CCC[NH2+]C1 ZINC000080358520 177644559 /nfs/dbraw/zinc/64/45/59/177644559.db2.gz ANCPWXDTEMMORV-OAHLLOKOSA-N 1 0 262.353 2.419 10 0 CEAERO Cc1ccc(C[C@@H](C)[NH2+][C@H](C)C(=O)NC(C)C)s1 ZINC000080246484 177631633 /nfs/dbraw/zinc/63/16/33/177631633.db2.gz RZEJFNSAFHGCLZ-ZYHUDNBSSA-N 1 0 268.426 2.490 10 0 CEAERO CCC[NH2+][C@@]1(C(=O)[O-])CC[C@H]([NH+]2CCCCCC2)C1 ZINC000093823391 184725531 /nfs/dbraw/zinc/72/55/31/184725531.db2.gz VLAUYEJXRYOZOL-ZFWWWQNUSA-N 1 0 268.401 2.238 10 0 CEAERO Cc1cc(C)cc(O[C@@H]2CC[C@]([NH2+]C(C)C)(C(N)=O)C2)c1 ZINC000093845909 184731087 /nfs/dbraw/zinc/73/10/87/184731087.db2.gz KASIHKOWOJCEJD-RHSMWYFYSA-N 1 0 290.407 2.457 10 0 CEAERO OC[C@@]1([NH2+]C2CC2)CCC[C@@H]1CCn1cc(Cl)cn1 ZINC000093618842 184696613 /nfs/dbraw/zinc/69/66/13/184696613.db2.gz GWWSCIOITSGDNR-RISCZKNCSA-N 1 0 283.803 2.210 10 0 CEAERO [NH3+][C@@]1(CO)CCC[C@@H]1CCn1ccnc1-c1cccs1 ZINC000093619004 184696970 /nfs/dbraw/zinc/69/69/70/184696970.db2.gz PXBCJNZSWMSPBD-IUODEOHRSA-N 1 0 291.420 2.492 10 0 CEAERO C[NH2+][C@@]1(CO)CCC[C@@H]1CCOc1ccc(F)cc1F ZINC000093620962 184697390 /nfs/dbraw/zinc/69/73/90/184697390.db2.gz ZIDAWRZWCFRESJ-IAQYHMDHSA-N 1 0 285.334 2.484 10 0 CEAERO CCc1cccc(OCC[C@@H]2CCC[C@@]2([NH2+]C)C(N)=O)c1 ZINC000093621035 184697461 /nfs/dbraw/zinc/69/74/61/184697461.db2.gz KKQFTUSFUFPEBQ-YOEHRIQHSA-N 1 0 290.407 2.262 10 0 CEAERO C[NH2+][C@H]1CCC[C@@H]1CCS(=O)(=O)c1ccccc1 ZINC000093622700 184697701 /nfs/dbraw/zinc/69/77/01/184697701.db2.gz TWUAXKURGKWDLF-OCCSQVGLSA-N 1 0 267.394 2.239 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1CCS(=O)(=O)CC1CCCC1 ZINC000093624084 184697830 /nfs/dbraw/zinc/69/78/30/184697830.db2.gz OHCAWPWPXCHMOS-OLZOCXBDSA-N 1 0 259.415 2.109 10 0 CEAERO CC[NH2+][C@@]1(C(N)=O)CCC[C@H]1CCOCCC(C)(C)C ZINC000093626281 184698071 /nfs/dbraw/zinc/69/80/71/184698071.db2.gz WWIXOMYFDOYXEO-BBRMVZONSA-N 1 0 284.444 2.463 10 0 CEAERO C[C@H](O)c1ccc(N2CC[C@H]([NH+]3CCCC3)C2)cc1O ZINC000093672609 184704374 /nfs/dbraw/zinc/70/43/74/184704374.db2.gz HXQMWDSQEMXZRT-JSGCOSHPSA-N 1 0 276.380 2.120 10 0 CEAERO COCC[NH2+]C[C@@H](C)c1c(C)nc([C@@H](C)OC)nc1C ZINC000093693005 184707289 /nfs/dbraw/zinc/70/72/89/184707289.db2.gz UPRNBWAADWCOCX-ZWNOBZJWSA-N 1 0 281.400 2.140 10 0 CEAERO CC[NH2+][C@H](C)C[C@@H](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093702340 184707767 /nfs/dbraw/zinc/70/77/67/184707767.db2.gz CAWFRGVLFDNEKD-MCIONIFRSA-N 1 0 290.473 2.072 10 0 CEAERO CC[NH2+][C@@H](c1cccc(C)c1)[C@@H]1CN(CC)CCO1 ZINC000093914813 184742007 /nfs/dbraw/zinc/74/20/07/184742007.db2.gz ZRPGEYRRIPFBAY-HOTGVXAUSA-N 1 0 262.397 2.366 10 0 CEAERO C[NH2+][C@@H](CSC[C@H](O)CO)c1ccc(C(C)C)cc1 ZINC000093961537 184746161 /nfs/dbraw/zinc/74/61/61/184746161.db2.gz WZGJDIHKKONDFO-CABCVRRESA-N 1 0 283.437 2.157 10 0 CEAERO CC(C)(C)[NH2+]Cc1ccc(SC[C@@H](O)CO)c(F)c1 ZINC000093960727 184746209 /nfs/dbraw/zinc/74/62/09/184746209.db2.gz GTJLKXLOTINPIQ-NSHDSACASA-N 1 0 287.400 2.159 10 0 CEAERO CCN(CC1CC[NH2+]CC1)C(=O)c1ccc(N(C)C)cc1 ZINC000094022557 184750840 /nfs/dbraw/zinc/75/08/40/184750840.db2.gz VUEMLAXGDNGHBZ-UHFFFAOYSA-N 1 0 289.423 2.214 10 0 CEAERO C[C@@H]([NH3+])Cc1nc(-c2ncc(Cl)cc2Cl)no1 ZINC000094199129 184762659 /nfs/dbraw/zinc/76/26/59/184762659.db2.gz UMUPFTMOGXCZHM-RXMQYKEDSA-N 1 0 273.123 2.328 10 0 CEAERO C[C@@H]([NH3+])Cc1ccc(OCc2cn3ccccc3n2)cn1 ZINC000094215589 184763965 /nfs/dbraw/zinc/76/39/65/184763965.db2.gz UHXZGLKWGNPROA-GFCCVEGCSA-N 1 0 282.347 2.198 10 0 CEAERO CC[C@@](C)([NH3+])C(=O)NCCc1cccc(Cl)c1 ZINC000094236758 184767372 /nfs/dbraw/zinc/76/73/72/184767372.db2.gz LRFUXBVYOLMSLA-CYBMUJFWSA-N 1 0 254.761 2.126 10 0 CEAERO C[NH2+][C@H](Cc1nccs1)C1(N(C)C)CCCC1 ZINC000094253600 184770437 /nfs/dbraw/zinc/77/04/37/184770437.db2.gz IGMNAYKKXOJUMG-LLVKDONJSA-N 1 0 253.415 2.148 10 0 CEAERO CCOc1ccc2nc(CC[C@H](C)CC[NH3+])[nH]c2n1 ZINC000094262434 184771067 /nfs/dbraw/zinc/77/10/67/184771067.db2.gz LVNVBQIRFCIMHN-JTQLQIEISA-N 1 0 262.357 2.274 10 0 CEAERO CCOC(=O)C[C@@]1([NH3+])CCC[C@H](C(F)(F)F)C1 ZINC000094290193 184776686 /nfs/dbraw/zinc/77/66/86/184776686.db2.gz JZAPDGSHXLGJEI-WCBMZHEXSA-N 1 0 253.264 2.390 10 0 CEAERO C[C@@H](c1nc2c(s1)CCC2(C)C)N1CC[NH2+]CC1 ZINC000094309025 184778557 /nfs/dbraw/zinc/77/85/57/184778557.db2.gz IOEMCQWAMWCLCA-JTQLQIEISA-N 1 0 265.426 2.333 10 0 CEAERO CC(C)Oc1cccc(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000094339671 184783802 /nfs/dbraw/zinc/78/38/02/184783802.db2.gz WTBCTBUMCWBEGI-DOMZBBRYSA-N 1 0 276.380 2.283 10 0 CEAERO CCOCCOc1c(F)cc(C[C@H](C)[NH3+])cc1F ZINC000094350008 184787076 /nfs/dbraw/zinc/78/70/76/184787076.db2.gz OXIFYJSUFOITCJ-VIFPVBQESA-N 1 0 259.296 2.270 10 0 CEAERO CC[NH+](CC)[C@H]1CCN(c2nc3cc(N)ccc3o2)C1 ZINC000094352331 184787688 /nfs/dbraw/zinc/78/76/88/184787688.db2.gz SGVMOXWRKISNLW-LBPRGKRZSA-N 1 0 274.368 2.331 10 0 CEAERO C(C[C@H]1CCC[NH2+]C1)O[C@@H]1CCOC2(CCOCC2)C1 ZINC000094381053 184791442 /nfs/dbraw/zinc/79/14/42/184791442.db2.gz OIWZOHVNYHURAJ-HUUCEWRRSA-N 1 0 283.412 2.121 10 0 CEAERO [NH3+][C@H](C1CCCC1)[C@@H]1CCOC2(CCOCC2)C1 ZINC000094400134 184793625 /nfs/dbraw/zinc/79/36/25/184793625.db2.gz IRDNGSZGTHJLAJ-ZIAGYGMSSA-N 1 0 253.386 2.480 10 0 CEAERO CCC[NH2+]C1CCC(O)([C@@H]2CCO[C@]3(CCOC3)C2)CC1 ZINC000094418414 184794903 /nfs/dbraw/zinc/79/49/03/184794903.db2.gz LMIMZENPQXOBTM-KZYLPZIUSA-N 1 0 297.439 2.245 10 0 CEAERO CC(C)C[NH2+]C[C@H](O)[C@@H]1CCOC2(CCSCC2)C1 ZINC000094418550 184795175 /nfs/dbraw/zinc/79/51/75/184795175.db2.gz VROKGUXVDKBNLN-KGLIPLIRSA-N 1 0 287.469 2.285 10 0 CEAERO CC[C@@H]1CN(Cc2ncccn2)c2ccccc2C[NH2+]1 ZINC000094421269 184795734 /nfs/dbraw/zinc/79/57/34/184795734.db2.gz ATHDEEWVFWLAAR-CQSZACIVSA-N 1 0 268.364 2.365 10 0 CEAERO C[NH2+][C@H]1[C@@H](CN(C)CC(F)(F)F)C(C)(C)OC1(C)C ZINC000094428106 184796566 /nfs/dbraw/zinc/79/65/66/184796566.db2.gz AWUDBTZJAWPOFM-ZJUUUORDSA-N 1 0 282.350 2.272 10 0 CEAERO Cc1ccc(CNC(=O)[C@H]2CCCCC[C@@H]2[NH3+])o1 ZINC000094753411 184852892 /nfs/dbraw/zinc/85/28/92/184852892.db2.gz REJMHJIGFXNHDP-STQMWFEESA-N 1 0 250.342 2.112 10 0 CEAERO Cc1ncc(CN(C)C(=O)[C@H]2CCCCC[C@H]2[NH3+])s1 ZINC000094751582 184853125 /nfs/dbraw/zinc/85/31/25/184853125.db2.gz NAFIWLAEMZHAIZ-QWHCGFSZSA-N 1 0 281.425 2.318 10 0 CEAERO CC1(C)C(NC(=O)[C@H]2CCCCC[C@@H]2[NH3+])C1(C)C ZINC000094754767 184853482 /nfs/dbraw/zinc/85/34/82/184853482.db2.gz PTUFSGHOXBFCKQ-QWRGUYRKSA-N 1 0 252.402 2.445 10 0 CEAERO C[C@]1(c2ncc3c(n2)CC(C)(C)C[C@@H]3[NH3+])CCCO1 ZINC000094785369 184863955 /nfs/dbraw/zinc/86/39/55/184863955.db2.gz BZJXEPCRBUDVOR-XHDPSFHLSA-N 1 0 261.369 2.474 10 0 CEAERO CC[NH2+][C@@H](c1ccc2[nH]c(=O)[nH]c2c1)[C@]1(C)CCCO1 ZINC000094788375 184865002 /nfs/dbraw/zinc/86/50/02/184865002.db2.gz XVELVGGXCGCXCS-ZFWWWQNUSA-N 1 0 275.352 2.076 10 0 CEAERO C[C@@]1(C[NH2+][C@H]2CCS(=O)(=O)c3ccccc32)CCCO1 ZINC000094798221 184866493 /nfs/dbraw/zinc/86/64/93/184866493.db2.gz CCWYRBZJXLHIQR-ZFWWWQNUSA-N 1 0 295.404 2.064 10 0 CEAERO Cc1nc(-c2cncc(Br)c2)nc(C)c1C[NH3+] ZINC000094825457 184874670 /nfs/dbraw/zinc/87/46/70/184874670.db2.gz NFMZLMFWJAUWBD-UHFFFAOYSA-N 1 0 293.168 2.377 10 0 CEAERO COc1ccccc1N[C@]1(C[NH3+])CS[C@@H](C)C1 ZINC000094473802 184807644 /nfs/dbraw/zinc/80/76/44/184807644.db2.gz QOSQWRXNEBKUEX-GXFFZTMASA-N 1 0 252.383 2.330 10 0 CEAERO CC1(C)CSC[C@H]([NH2+][C@@H]2CCN(C3CC3)C2)C1 ZINC000094488624 184809296 /nfs/dbraw/zinc/80/92/96/184809296.db2.gz OQKJHPWUXDGQDQ-VXGBXAGGSA-N 1 0 254.443 2.344 10 0 CEAERO [NH3+][C@H](c1ccc2c(c1)OCCO2)[C@@H]1CSCCS1 ZINC000094497132 184810388 /nfs/dbraw/zinc/81/03/88/184810388.db2.gz UZZPSSFXLJGCMF-QWHCGFSZSA-N 1 0 283.418 2.306 10 0 CEAERO C[C@@H]1COCCN1[C@@H](C[NH3+])c1cccc(C2CC2)c1 ZINC000094520609 184813816 /nfs/dbraw/zinc/81/38/16/184813816.db2.gz UFBDFTHSPZBDQV-WBMJQRKESA-N 1 0 260.381 2.285 10 0 CEAERO C[C@@H]1C[C@@H]([NH3+])CN(C(=O)c2c(F)cccc2Cl)C1 ZINC000094549488 184815940 /nfs/dbraw/zinc/81/59/40/184815940.db2.gz QFWCQHXTWCKSJU-RKDXNWHRSA-N 1 0 270.735 2.288 10 0 CEAERO C[C@@H]1C[NH2+]CCN1C(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000094546148 184816303 /nfs/dbraw/zinc/81/63/03/184816303.db2.gz RCANSLIPCGQJJF-JISDDCRVSA-N 1 0 276.424 2.413 10 0 CEAERO Cc1ccc([C@](C)(O)C2(C[NH3+])CCOCC2)cc1F ZINC000094842172 184878397 /nfs/dbraw/zinc/87/83/97/184878397.db2.gz SKYJQCCODDCMSO-AWEZNQCLSA-N 1 0 267.344 2.097 10 0 CEAERO C[C@@H]1C[C@H]([NH3+])CN(C(=O)c2cccc3ncccc32)C1 ZINC000094549957 184817188 /nfs/dbraw/zinc/81/71/88/184817188.db2.gz PWZPBSAVFXVXGQ-NEPJUHHUSA-N 1 0 269.348 2.044 10 0 CEAERO Cc1cc(C)c(O)c(NC(=O)CCOC2CC[NH2+]CC2)c1 ZINC000094574420 184821379 /nfs/dbraw/zinc/82/13/79/184821379.db2.gz GVSHVTPTCGUFHK-UHFFFAOYSA-N 1 0 292.379 2.106 10 0 CEAERO Cc1cc(C)c(O)c(NC(=O)[C@@H](C[NH3+])C(C)C)c1 ZINC000094574589 184821537 /nfs/dbraw/zinc/82/15/37/184821537.db2.gz HUDAPIQLELSKDZ-NSHDSACASA-N 1 0 250.342 2.178 10 0 CEAERO Clc1ccc(-c2cnc(CN3CC[NH2+]CC3)nc2)cc1 ZINC000094577310 184821823 /nfs/dbraw/zinc/82/18/23/184821823.db2.gz CTPAHRGLHZEXAE-UHFFFAOYSA-N 1 0 288.782 2.202 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@@H]1Nc1nc2ccc(Cl)cn2n1 ZINC000094608841 184825472 /nfs/dbraw/zinc/82/54/72/184825472.db2.gz MOGQTXYDOQWZJP-KOLCDFICSA-N 1 0 279.775 2.312 10 0 CEAERO C[NH2+]C1CCC(N(C)c2nc3c(C)cccn3n2)CC1 ZINC000094609189 184825755 /nfs/dbraw/zinc/82/57/55/184825755.db2.gz GSHVFXIDDRCMDD-UHFFFAOYSA-N 1 0 273.384 2.005 10 0 CEAERO Cc1ccc2nc(N[C@H]3CC[NH2+]C4(CCC4)C3)nn2c1 ZINC000094607394 184825943 /nfs/dbraw/zinc/82/59/43/184825943.db2.gz LFTTXXFJEMFIIY-LBPRGKRZSA-N 1 0 271.368 2.124 10 0 CEAERO COc1ccc(C[C@@H]([NH3+])[C@@H]2CCc3cccnc32)cn1 ZINC000094632295 184829568 /nfs/dbraw/zinc/82/95/68/184829568.db2.gz WIODLZGPCQIABY-UONOGXRCSA-N 1 0 269.348 2.085 10 0 CEAERO COc1ccc(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)c(OC)c1 ZINC000094646760 184832948 /nfs/dbraw/zinc/83/29/48/184832948.db2.gz MZKOKIUHXHUWOM-CMPLNLGQSA-N 1 0 278.352 2.030 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N(C)Cc1ccccc1F ZINC000094647428 184833155 /nfs/dbraw/zinc/83/31/55/184833155.db2.gz SGRJPXPMMHYCTE-YPMHNXCESA-N 1 0 264.344 2.172 10 0 CEAERO CC[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000094647551 184833251 /nfs/dbraw/zinc/83/32/51/184833251.db2.gz QEILDZQHMCCTCL-RQJABVFESA-N 1 0 252.402 2.460 10 0 CEAERO CCOc1cc(C[NH2+]C2CC2)ccc1O[C@@H](C)[C@H](C)O ZINC000094652745 184834482 /nfs/dbraw/zinc/83/44/82/184834482.db2.gz VIZGQAMWCPSJGP-RYUDHWBXSA-N 1 0 279.380 2.485 10 0 CEAERO C[NH2+][C@H](c1cc(OC)cc(OC)c1)[C@@H]1CCOC1 ZINC000094651312 184834916 /nfs/dbraw/zinc/83/49/16/184834916.db2.gz AJEOOQHKJIJVDE-YGRLFVJLSA-N 1 0 251.326 2.001 10 0 CEAERO C[C@H](O)[C@H](C)Oc1ccc(C[NH3+])cc1C(F)(F)F ZINC000094653585 184835310 /nfs/dbraw/zinc/83/53/10/184835310.db2.gz ITWANUOQWVCSDY-YUMQZZPRSA-N 1 0 263.259 2.312 10 0 CEAERO CC[C@@H]1CN(C(=O)Cc2cccc(F)c2F)[C@@H](CC)C[NH2+]1 ZINC000094713626 184845617 /nfs/dbraw/zinc/84/56/17/184845617.db2.gz LUFHCBPDLLMLFG-OLZOCXBDSA-N 1 0 296.361 2.496 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@H](C2CC2)CN1Cc1nccs1 ZINC000094980433 184910056 /nfs/dbraw/zinc/91/00/56/184910056.db2.gz VZQRRRIYWIVOFK-CHWSQXEVSA-N 1 0 265.426 2.496 10 0 CEAERO CCOc1ccc(NC(=O)C2CCC(C[NH3+])CC2)cn1 ZINC000094988977 184911195 /nfs/dbraw/zinc/91/11/95/184911195.db2.gz DMLDMDVUTNHPPL-UHFFFAOYSA-N 1 0 277.368 2.184 10 0 CEAERO CCC[NH2+][C@H](C)c1ccnc(N(C)CC(C)(C)O)c1 ZINC000095000307 184911920 /nfs/dbraw/zinc/91/19/20/184911920.db2.gz ZAXMARZVEOUQPC-GFCCVEGCSA-N 1 0 265.401 2.349 10 0 CEAERO CCN(C(=O)C[C@@H](C)COC)c1ccc(C[NH3+])cc1 ZINC000095033573 184919702 /nfs/dbraw/zinc/91/97/02/184919702.db2.gz IAKGFDDGAHMBKI-GFCCVEGCSA-N 1 0 264.369 2.171 10 0 CEAERO CN(c1nc2ccccc2nc1NC1CC1)[C@@H]1CCC[NH2+]C1 ZINC000095070527 184931895 /nfs/dbraw/zinc/93/18/95/184931895.db2.gz QZCLVXRCZNOADX-CYBMUJFWSA-N 1 0 297.406 2.392 10 0 CEAERO O=S(=O)(CC1CC[NH2+]CC1)c1nc2ccccc2s1 ZINC000095073267 184934506 /nfs/dbraw/zinc/93/45/06/184934506.db2.gz BQWRXIFSAPSUKB-UHFFFAOYSA-N 1 0 296.417 2.070 10 0 CEAERO CC[N@@H+]1CC[C@H](CNc2ncnc3c2CCCC3)C1 ZINC000094871893 184884607 /nfs/dbraw/zinc/88/46/07/184884607.db2.gz JSMAREAXQQYNCO-GFCCVEGCSA-N 1 0 260.385 2.109 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@@H]1Nc1ncnc2c1CCCC2 ZINC000094872580 184885716 /nfs/dbraw/zinc/88/57/16/184885716.db2.gz RBJZEBDCVSSZOL-YPMHNXCESA-N 1 0 260.385 2.285 10 0 CEAERO Cn1c2ccc([C@H]([NH3+])C3(C)CCCC3)cc2n(C)c1=O ZINC000094901018 184889958 /nfs/dbraw/zinc/88/99/58/184889958.db2.gz FPZGHGSBYHYBDH-AWEZNQCLSA-N 1 0 273.380 2.457 10 0 CEAERO Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2[NH3+])c(F)c1 ZINC000094919001 184893323 /nfs/dbraw/zinc/89/33/23/184893323.db2.gz XDUFQMAKIZIRMY-OLZOCXBDSA-N 1 0 250.317 2.134 10 0 CEAERO C[C@H](CCCO)[NH2+][C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000094942257 184898199 /nfs/dbraw/zinc/89/81/99/184898199.db2.gz SGSDGAPNBIIRTA-UPJWGTAASA-N 1 0 286.416 2.183 10 0 CEAERO COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)CCCO)CCO2 ZINC000094942540 184898410 /nfs/dbraw/zinc/89/84/10/184898410.db2.gz IUKGEKFERMBONW-FZMZJTMJSA-N 1 0 265.353 2.269 10 0 CEAERO C[C@H](CC[NH2+][C@H]1CCC(=O)N[C@H]1C)c1ccccc1 ZINC000281818650 195394604 /nfs/dbraw/zinc/39/46/04/195394604.db2.gz QWGCUWFDGAMSBJ-IPYPFGDCSA-N 1 0 260.381 2.437 10 0 CEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCCCc1ccccc1 ZINC000282251772 195552226 /nfs/dbraw/zinc/55/22/26/195552226.db2.gz GPFQJXBWYMHIQZ-ZFWWWQNUSA-N 1 0 260.381 2.266 10 0 CEAERO c1nc2n(n1)C[C@H]([NH2+]Cc1ccc(OCC3CC3)cc1)CC2 ZINC000190973140 130168397 /nfs/dbraw/zinc/16/83/97/130168397.db2.gz XOBNORHFRUUUDS-OAHLLOKOSA-N 1 0 298.390 2.172 10 0 CEAERO C[C@@H]1OCCC[C@@H]1C(=O)NCc1ccccc1C[NH+](C)C ZINC000191159565 130194013 /nfs/dbraw/zinc/19/40/13/130194013.db2.gz JVVYSORZIXSHKF-BBRMVZONSA-N 1 0 290.407 2.180 10 0 CEAERO CC[C@@](C)(O)CNc1cc(N2CCC[C@@H](C)C2)ncn1 ZINC000246673433 131096385 /nfs/dbraw/zinc/09/63/85/131096385.db2.gz USYFGHBPNUVLTQ-IUODEOHRSA-N 1 0 278.400 2.286 10 0 CEAERO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCOC)c1ccc(C)o1 ZINC000262113722 131192219 /nfs/dbraw/zinc/19/22/19/131192219.db2.gz HXAWYVUUTNDCGG-JKOKRWQUSA-N 1 0 282.384 2.155 10 0 CEAERO C[NH2+]C1CCN(c2ccccc2OC(F)F)CC1 ZINC000037242398 134836663 /nfs/dbraw/zinc/83/66/63/134836663.db2.gz PNTFNNNDJDUFOZ-UHFFFAOYSA-N 1 0 256.296 2.476 10 0 CEAERO [NH3+][C@@H]1CCCN(c2nccn3nc(-c4ccccc4)cc23)C1 ZINC000070458573 134949154 /nfs/dbraw/zinc/94/91/54/134949154.db2.gz CRQRSWHLUOSJJZ-CQSZACIVSA-N 1 0 293.374 2.324 10 0 CEAERO C[C@@H]1CCN(c2ccc(Br)cn2)C[C@@H]1[NH3+] ZINC000070984081 134953773 /nfs/dbraw/zinc/95/37/73/134953773.db2.gz ONZQBJUJDDLPIJ-SCZZXKLOSA-N 1 0 270.174 2.018 10 0 CEAERO [NH3+]C1(CC(=O)N2CC(=O)Nc3ccccc32)CCCCC1 ZINC000084163485 135031649 /nfs/dbraw/zinc/03/16/49/135031649.db2.gz HSQUFVVSIZAXHY-UHFFFAOYSA-N 1 0 287.363 2.023 10 0 CEAERO C[C@H]1CCc2ccccc2N1C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085355393 135036051 /nfs/dbraw/zinc/03/60/51/135036051.db2.gz UXGZUBIUPNYBHB-YUTCNCBUSA-N 1 0 258.365 2.482 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](Cc2ccccc2)CN1c1cccnc1 ZINC000086151472 135039443 /nfs/dbraw/zinc/03/94/43/135039443.db2.gz NJVYOBVIKBVUQU-ZBFHGGJFSA-N 1 0 267.376 2.491 10 0 CEAERO C[NH2+]C[C@H](C)Cc1c(C)nc(N2CCCCC2)nc1C ZINC000087707058 135051278 /nfs/dbraw/zinc/05/12/78/135051278.db2.gz NORNCTYLBBBBMW-GFCCVEGCSA-N 1 0 276.428 2.482 10 0 CEAERO CSc1nc(N2CCC(C)(C)CC2)cc(NN)[nH+]1 ZINC000087870163 135052176 /nfs/dbraw/zinc/05/21/76/135052176.db2.gz ALFJJHRRVVWXCG-UHFFFAOYSA-N 1 0 267.402 2.111 10 0 CEAERO CC(C)[NH2+]C[C@H](C)S(=O)(=O)N1CCCc2ccccc21 ZINC000088924978 135057639 /nfs/dbraw/zinc/05/76/39/135057639.db2.gz MDMKJLUJXDQHHM-ZDUSSCGKSA-N 1 0 296.436 2.156 10 0 CEAERO CCc1cc(CN2CC[C@H]([NH3+])c3ccccc32)n(C)n1 ZINC000089180692 135057982 /nfs/dbraw/zinc/05/79/82/135057982.db2.gz JSEOZJXTBBIRIG-HNNXBMFYSA-N 1 0 270.380 2.393 10 0 CEAERO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000089732865 135060488 /nfs/dbraw/zinc/06/04/88/135060488.db2.gz CMGUAWDYRPKOEO-MELADBBJSA-N 1 0 262.401 2.470 10 0 CEAERO [NH3+][C@H]1Cc2ccccc2N(Cc2cncn2C2CC2)C1 ZINC000090237686 135063139 /nfs/dbraw/zinc/06/31/39/135063139.db2.gz UJWBYCKXJNQSFA-ZDUSSCGKSA-N 1 0 268.364 2.108 10 0 CEAERO C[NH2+]CC[C@@H]1CCCCN1c1ncncc1Br ZINC000090781763 135064642 /nfs/dbraw/zinc/06/46/42/135064642.db2.gz RYUWEMRCYOUCRI-JTQLQIEISA-N 1 0 299.216 2.208 10 0 CEAERO CCCOc1cc(N2CCC[C@H](C[NH2+]C(C)C)C2)ncn1 ZINC000090785174 135064997 /nfs/dbraw/zinc/06/49/97/135064997.db2.gz GMCXDQLRTUJHBF-CQSZACIVSA-N 1 0 292.427 2.480 10 0 CEAERO C[NH2+]C1CCN(c2cc(C(F)(F)F)ccn2)CC1 ZINC000090802009 135065643 /nfs/dbraw/zinc/06/56/43/135065643.db2.gz DEVWBICTTBMEEB-UHFFFAOYSA-N 1 0 259.275 2.289 10 0 CEAERO CCC[NH2+]C[C@@H]1CCCN(c2ncnc(OCC)c2C)C1 ZINC000090789901 135065660 /nfs/dbraw/zinc/06/56/60/135065660.db2.gz HHUYSQPJFHMSPO-AWEZNQCLSA-N 1 0 292.427 2.400 10 0 CEAERO C[C@H]([NH3+])C(C)(C)CN1CCN(c2ccccc2F)CC1 ZINC000091402157 135068963 /nfs/dbraw/zinc/06/89/63/135068963.db2.gz MMAPZRLZQMTJTQ-ZDUSSCGKSA-N 1 0 279.403 2.321 10 0 CEAERO C[NH2+]C[C@H](C)[C@@H](C)N1CCN(c2cccc(C)c2)CC1 ZINC000093068438 135079159 /nfs/dbraw/zinc/07/91/59/135079159.db2.gz PRYFMRXYUCMSHF-JKSUJKDBSA-N 1 0 275.440 2.361 10 0 CEAERO [NH3+]Cc1c(F)cccc1N1CCO[C@H]2CCC[C@@H]21 ZINC000093395389 135080317 /nfs/dbraw/zinc/08/03/17/135080317.db2.gz IKVRYUPOPYSJCY-KBPBESRZSA-N 1 0 250.317 2.042 10 0 CEAERO CCO[C@@H]1CCCN(c2cccc(F)c2C[NH3+])C1 ZINC000093395336 135080430 /nfs/dbraw/zinc/08/04/30/135080430.db2.gz RNYZKLLWEQKUQO-LLVKDONJSA-N 1 0 252.333 2.290 10 0 CEAERO C[NH+](C)C[C@@H](NCc1ccccn1)c1ccccc1 ZINC000020129436 394470660 /nfs/dbraw/zinc/47/06/60/394470660.db2.gz AYBOSLVSTJGTEK-MRXNPFEDSA-N 1 0 255.365 2.474 10 0 CEAERO [NH3+]C[C@H]1CC[C@H](c2ccc(Br)cn2)O1 ZINC000306207693 394514654 /nfs/dbraw/zinc/51/46/54/394514654.db2.gz RAQDRLNCUNOWOD-PSASIEDQSA-N 1 0 257.131 2.023 10 0 CEAERO Cc1nc(NCC[C@H](C)[NH3+])ccc1Br ZINC000235489289 394483876 /nfs/dbraw/zinc/48/38/76/394483876.db2.gz FSDDUUDNVPESHL-ZETCQYMHSA-N 1 0 258.163 2.302 10 0 CEAERO CC(C)[C@H]1CC[C@H](C(=O)N2CCO[C@H](C[NH+](C)C)C2)CC1 ZINC000245509078 394500710 /nfs/dbraw/zinc/50/07/10/394500710.db2.gz JWTQDAADXDRACY-BZUAXINKSA-N 1 0 296.455 2.238 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@H](O)c1ccc(F)cc1 ZINC000245949073 394506985 /nfs/dbraw/zinc/50/69/85/394506985.db2.gz BWRYNCRDORBBGX-IKGGRYGDSA-N 1 0 292.398 2.418 10 0 CEAERO CCc1c(Cl)ncnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000250124634 394562047 /nfs/dbraw/zinc/56/20/47/394562047.db2.gz AGTIOLKHQUHIOW-NSHDSACASA-N 1 0 280.803 2.367 10 0 CEAERO C[C@@]1(CN2CC[N@@H+]3CCCC[C@H]3C2)CCCS1 ZINC000250789010 394564961 /nfs/dbraw/zinc/56/49/61/394564961.db2.gz HOETYGAWPIQZIU-KBPBESRZSA-N 1 0 254.443 2.442 10 0 CEAERO C[C@H](NC(N)=[NH2+])c1ccc(F)cc1Br ZINC000306776923 394517662 /nfs/dbraw/zinc/51/76/62/394517662.db2.gz MQPNNXJUUDUBSO-YFKPBYRVSA-N 1 0 260.110 2.132 10 0 CEAERO C[C@@H](c1sccc1Br)N1CC[NH2+]CC1 ZINC000306853876 394519221 /nfs/dbraw/zinc/51/92/21/394519221.db2.gz UTWVXSLLNPAADK-QMMMGPOBSA-N 1 0 275.215 2.477 10 0 CEAERO CC[C@H]1CN(CCc2ccc(C)cc2)CC[N@@H+]1C[C@H](C)O ZINC000246864203 394522338 /nfs/dbraw/zinc/52/23/38/394522338.db2.gz ISFOZWFMGFSKAX-WMZOPIPTSA-N 1 0 290.451 2.315 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(C)c(C)c2)C1 ZINC000048841633 394532919 /nfs/dbraw/zinc/53/29/19/394532919.db2.gz ZORPTPCEOOWXBC-CQSZACIVSA-N 1 0 296.436 2.066 10 0 CEAERO CCN1CCC[C@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000309999880 394534007 /nfs/dbraw/zinc/53/40/07/394534007.db2.gz DJMPNRXYLVVBJB-ZDUSSCGKSA-N 1 0 299.459 2.364 10 0 CEAERO [NH3+]C[C@@H]1CN(c2ncncc2Cl)C[C@H]1c1ccccc1 ZINC000328287286 394551788 /nfs/dbraw/zinc/55/17/88/394551788.db2.gz TYQJMQMQZGISTR-OLZOCXBDSA-N 1 0 288.782 2.309 10 0 CEAERO CCc1nc(CN(C)C(=O)CC[C@H]2CCC[NH2+]2)cs1 ZINC000328408355 394552680 /nfs/dbraw/zinc/55/26/80/394552680.db2.gz XCJYPGNHONSXDM-LLVKDONJSA-N 1 0 281.425 2.196 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(c3ncc(Cl)cc3F)C[C@H]12 ZINC000261555289 394601708 /nfs/dbraw/zinc/60/17/08/394601708.db2.gz PSYNGWRVTVCTKQ-POZPLHJXSA-N 1 0 255.724 2.048 10 0 CEAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccc2c(c1)CCN2 ZINC000261830770 394608590 /nfs/dbraw/zinc/60/85/90/394608590.db2.gz BFXNBKBASCBBAT-XJKSGUPXSA-N 1 0 299.418 2.353 10 0 CEAERO Cc1c(CNC[C@@]2([NH+](C)C)CCC[C@H](C)C2)cnn1C ZINC000093650138 394668212 /nfs/dbraw/zinc/66/82/12/394668212.db2.gz KBKQOBGOEDCDKJ-XJKSGUPXSA-N 1 0 278.444 2.329 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)C(C)(C)C ZINC000089732446 394649965 /nfs/dbraw/zinc/64/99/65/394649965.db2.gz CLOCEAHOKIBMPJ-QWHCGFSZSA-N 1 0 262.401 2.470 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1csc2c1CCCC2 ZINC000335501378 394771972 /nfs/dbraw/zinc/77/19/72/394771972.db2.gz SDQOPEURXNPSFZ-SKDRFNHKSA-N 1 0 264.394 2.189 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1c(O)cccc1F ZINC000119851797 394772444 /nfs/dbraw/zinc/77/24/44/394772444.db2.gz SDIUEYAQKHLNTR-LLVKDONJSA-N 1 0 282.359 2.237 10 0 CEAERO C[C@@H]1C[C@@H](O)C[N@H+](CCOc2cccc(Cl)c2)C1 ZINC000401723932 533673165 /nfs/dbraw/zinc/67/31/65/533673165.db2.gz ZJZRVWWNTYGVDE-DGCLKSJQSA-N 1 0 269.772 2.422 10 0 CEAERO FC(F)(F)c1cnc(N2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000276869490 394816468 /nfs/dbraw/zinc/81/64/68/394816468.db2.gz JYKGYPBECRUAAQ-QMMMGPOBSA-N 1 0 277.315 2.446 10 0 CEAERO CCC(CC)n1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)n1 ZINC000281862999 394864520 /nfs/dbraw/zinc/86/45/20/394864520.db2.gz AORUXNPKJYSCRU-SMDDNHRTSA-N 1 0 278.400 2.001 10 0 CEAERO CC[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)c1ccc(OC)cc1 ZINC000282288885 394916215 /nfs/dbraw/zinc/91/62/15/394916215.db2.gz LOVNRQOGEVVASS-CQDKDKBSSA-N 1 0 276.380 2.403 10 0 CEAERO CC(C)(C)OC(=O)CC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000131937860 394921883 /nfs/dbraw/zinc/92/18/83/394921883.db2.gz BBKQPFRTOIIORK-CZUORRHYSA-N 1 0 283.412 2.345 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC(C)(C)C ZINC000132565611 394933891 /nfs/dbraw/zinc/93/38/91/394933891.db2.gz FIYLJJOGFYKDPE-GFCCVEGCSA-N 1 0 255.406 2.205 10 0 CEAERO CC[C@@H]1CN(C(=O)N[C@@H](C)CC(C)C)CC[N@@H+]1CCOC ZINC000133323906 394948962 /nfs/dbraw/zinc/94/89/62/394948962.db2.gz QPYAIOLRFILOKE-LSDHHAIUSA-N 1 0 299.459 2.173 10 0 CEAERO Cc1cnn(C)c1C[NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC000286062452 395007062 /nfs/dbraw/zinc/00/70/62/395007062.db2.gz RNOURQYITPPXDQ-GFCCVEGCSA-N 1 0 296.415 2.074 10 0 CEAERO Cc1nccn1CC[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000289325627 395074534 /nfs/dbraw/zinc/07/45/34/395074534.db2.gz UFKOAPDKNYZIPM-UHFFFAOYSA-N 1 0 259.353 2.304 10 0 CEAERO CO[C@@H](CNC(=O)[C@@H]([NH3+])CC(C)C)c1ccc(F)cc1 ZINC000162623736 395077373 /nfs/dbraw/zinc/07/73/73/395077373.db2.gz BJMODUYEEWTUPF-KBPBESRZSA-N 1 0 282.359 2.003 10 0 CEAERO C[C@@H]1CN(C(=O)CCSc2ccc(F)cc2)C[C@@H]1[NH3+] ZINC000423940109 395031504 /nfs/dbraw/zinc/03/15/04/395031504.db2.gz BNYVEXPLBGKBAQ-MFKMUULPSA-N 1 0 282.384 2.114 10 0 CEAERO Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000423958239 395035232 /nfs/dbraw/zinc/03/52/32/395035232.db2.gz QIBWMYJFJULOTA-WZRBSPASSA-N 1 0 296.798 2.221 10 0 CEAERO COCC[N@@H+]1CCN([C@@H]2CCc3ccc(F)cc32)C[C@H]1C ZINC000177709952 395155187 /nfs/dbraw/zinc/15/51/87/395155187.db2.gz BCQKYOGTYVJMLL-CXAGYDPISA-N 1 0 292.398 2.466 10 0 CEAERO CC[C@H](C)[C@H](C[N@@H+]1CCN2CCCC[C@@H]2C1)OC ZINC000381331871 395173755 /nfs/dbraw/zinc/17/37/55/395173755.db2.gz 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255.243 2.316 10 0 CEAERO O[C@H]1CCC[C@@H](CN2CC[NH+](C3CCCC3)CC2)C1 ZINC000389419121 400537727 /nfs/dbraw/zinc/53/77/27/400537727.db2.gz NAEASKONXNNBHS-ZBFHGGJFSA-N 1 0 266.429 2.098 10 0 CEAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)[C@H]1CC2CCC1CC2 ZINC000394436331 400548881 /nfs/dbraw/zinc/54/88/81/400548881.db2.gz HVMIISNQFPRZFI-CHQKBHSXSA-N 1 0 266.429 2.121 10 0 CEAERO CC(C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000396997486 400557194 /nfs/dbraw/zinc/55/71/94/400557194.db2.gz JCMXEQJZMADFDW-IHRRRGAJSA-N 1 0 252.402 2.399 10 0 CEAERO C[C@H](NC(=O)[C@H]([NH3+])C1CCC1)c1cc(F)ccc1F ZINC000398972701 400563194 /nfs/dbraw/zinc/56/31/94/400563194.db2.gz XGVIHSRPUOZJKQ-ISVAXAHUSA-N 1 0 268.307 2.269 10 0 CEAERO CO[C@H]1CC[N@H+](CC2CCCCCC2)[C@@H](CN)C1 ZINC000226411975 286058590 /nfs/dbraw/zinc/05/85/90/286058590.db2.gz JJEXPOCSSPZQOQ-CABCVRRESA-N 1 0 254.418 2.395 10 0 CEAERO Cc1ccc([C@H](C)[NH2+]CCN2CCOCC2)c(C)c1 ZINC000019954598 292246627 /nfs/dbraw/zinc/24/66/27/292246627.db2.gz MPIDJMIDNXNHLD-HNNXBMFYSA-N 1 0 262.397 2.286 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C(CC)CC)C12CCOCC2 ZINC000248907919 286283360 /nfs/dbraw/zinc/28/33/60/286283360.db2.gz BKPHVCJSLHQCKM-BZUAXINKSA-N 1 0 299.455 2.347 10 0 CEAERO COc1ccc(CN2CCC[C@H]2C[NH3+])c(Cl)c1OC ZINC000131343949 286305759 /nfs/dbraw/zinc/30/57/59/286305759.db2.gz VKJJXPZYBQRZDH-NSHDSACASA-N 1 0 284.787 2.280 10 0 CEAERO CCN(C)c1ccc(C[NH2+][C@H](C)[C@@H]2CCCO2)cn1 ZINC000190755244 153143243 /nfs/dbraw/zinc/14/32/43/153143243.db2.gz XNDZIXVYCROGBU-OCCSQVGLSA-N 1 0 263.385 2.195 10 0 CEAERO CCn1cc([C@H]2C[N@H+](C[Si](C)(C)C)CCO2)cn1 ZINC000190734567 153143815 /nfs/dbraw/zinc/14/38/15/153143815.db2.gz NLANRKRGTAAHSZ-CYBMUJFWSA-N 1 0 267.449 2.154 10 0 CEAERO C[N@H+](C[C@@H](O)C1CCCCC1)CC1(O)CCCC1 ZINC000190944935 153153347 /nfs/dbraw/zinc/15/33/47/153153347.db2.gz CFDXZBIFGAIAKA-CQSZACIVSA-N 1 0 255.402 2.165 10 0 CEAERO C[C@@H]1CN(CC[N@@H+]2CCC[C@@H]2c2ccco2)CCO1 ZINC000192741806 153216420 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ZINC000227572667 153346151 /nfs/dbraw/zinc/34/61/51/153346151.db2.gz JYZJMQMFVYKNDW-LBPRGKRZSA-N 1 0 296.798 2.373 10 0 CEAERO O=C(C[N@H+]1CC[C@@H](CCO)C1)c1c[nH]c2ccccc12 ZINC000227573142 153346534 /nfs/dbraw/zinc/34/65/34/153346534.db2.gz ASIBPRSMLCFXJU-LBPRGKRZSA-N 1 0 272.348 2.055 10 0 CEAERO Cc1cnc([C@@H](C)N[C@H](C)C(=O)NCCC(C)C)o1 ZINC000230643478 153394478 /nfs/dbraw/zinc/39/44/78/153394478.db2.gz VKKICSYSBBLXBS-VXGBXAGGSA-N 1 0 267.373 2.184 10 0 CEAERO CCCCCCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247559291 153613467 /nfs/dbraw/zinc/61/34/67/153613467.db2.gz ZXIASCGEGUIMSG-ZIAGYGMSSA-N 1 0 267.417 2.445 10 0 CEAERO CC1(C)CN(Cc2cncc(Br)c2)CC[C@@H]1[NH3+] ZINC000261555524 153757129 /nfs/dbraw/zinc/75/71/29/153757129.db2.gz PVGXEHKLAKFPBZ-LBPRGKRZSA-N 1 0 298.228 2.403 10 0 CEAERO C[C@@H]1CCCN(c2nnc(C(F)F)s2)[C@H]1C[NH3+] ZINC000261555544 153757826 /nfs/dbraw/zinc/75/78/26/153757826.db2.gz PWOMPEFQYVECRS-RQJHMYQMSA-N 1 0 262.329 2.039 10 0 CEAERO COc1cc(NC(=O)CC[C@H]2CCC[NH2+]2)ccc1F ZINC000261573933 153767983 /nfs/dbraw/zinc/76/79/83/153767983.db2.gz AWCPYHRVAUQDRU-SNVBAGLBSA-N 1 0 266.316 2.305 10 0 CEAERO [NH3+][C@@H]1CN(Cc2cncc(F)c2)C[C@H]1c1ccccc1 ZINC000261711663 153816720 /nfs/dbraw/zinc/81/67/20/153816720.db2.gz MPRNZHDKUHPUOK-JKSUJKDBSA-N 1 0 271.339 2.147 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)c1sc(C2CCCC2)nc1C ZINC000261746125 153825966 /nfs/dbraw/zinc/82/59/66/153825966.db2.gz MZMOLGLTGBOELS-SECBINFHSA-N 1 0 281.425 2.447 10 0 CEAERO Cc1nc([C@@H](C)NC(=O)C[C@@H]2CCC[C@H]2[NH3+])cs1 ZINC000261763160 153830542 /nfs/dbraw/zinc/83/05/42/153830542.db2.gz NSMQIBWDLFILAN-DVVUODLYSA-N 1 0 267.398 2.146 10 0 CEAERO CCc1cc(CC)nc(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000261805262 153845006 /nfs/dbraw/zinc/84/50/06/153845006.db2.gz RVEGOLVLNRLHKL-GLQYFDAESA-N 1 0 274.412 2.165 10 0 CEAERO CCOc1ccc(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261848974 153856444 /nfs/dbraw/zinc/85/64/44/153856444.db2.gz WOUMCIGADVFYQV-AWEZNQCLSA-N 1 0 276.380 2.285 10 0 CEAERO COc1c(Br)cccc1CN1C[C@H]([NH3+])[C@@H](C)C1 ZINC000262103386 153911483 /nfs/dbraw/zinc/91/14/83/153911483.db2.gz VTPVOGDWGXSKQO-CABZTGNLSA-N 1 0 299.212 2.237 10 0 CEAERO Cc1ccc(O[C@H](C)C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000262103403 153912070 /nfs/dbraw/zinc/91/20/70/153912070.db2.gz VFIVAQATKVHADF-HIFRSBDPSA-N 1 0 290.407 2.348 10 0 CEAERO C[NH2+]CCC(=O)N[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000262531779 153958171 /nfs/dbraw/zinc/95/81/71/153958171.db2.gz MCRSKZGEYVINPJ-KWQFWETISA-N 1 0 270.735 2.061 10 0 CEAERO CC[C@@H](c1nc([C@H]2C[NH2+]CCN2C)no1)c1ccccc1 ZINC000263149429 154024699 /nfs/dbraw/zinc/02/46/99/154024699.db2.gz CZSRHZYXRTYNCA-ZIAGYGMSSA-N 1 0 286.379 2.188 10 0 CEAERO Cc1cccc(C2(c3nc([C@@H]4C[NH2+]CCN4C)no3)CC2)c1 ZINC000263200653 154033698 /nfs/dbraw/zinc/03/36/98/154033698.db2.gz JAVUZQHHGVMXTC-AWEZNQCLSA-N 1 0 298.390 2.034 10 0 CEAERO CC(C)(C)[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC000263209058 154034078 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ZINC000168119816 162363133 /nfs/dbraw/zinc/36/31/33/162363133.db2.gz ITQAFFUGWCPQRY-YFKPBYRVSA-N 1 0 254.281 2.096 10 0 CEAERO COc1c(C[NH2+]C[C@H]2CCCCS2)c(C)nn1C ZINC000168140012 162363768 /nfs/dbraw/zinc/36/37/68/162363768.db2.gz STEFIZPBDDZNQI-LLVKDONJSA-N 1 0 269.414 2.112 10 0 CEAERO CC(C)C[C@H](C)CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171299693 162382121 /nfs/dbraw/zinc/38/21/21/162382121.db2.gz PBNWHYIOQPXSEW-UONOGXRCSA-N 1 0 252.402 2.365 10 0 CEAERO Cc1ccc(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000171807173 162391071 /nfs/dbraw/zinc/39/10/71/162391071.db2.gz INNMZTHSPHAHMU-CQSZACIVSA-N 1 0 291.370 2.124 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1Cc1cc(Br)cs1 ZINC000261527538 162541538 /nfs/dbraw/zinc/54/15/38/162541538.db2.gz CJMXUNBFLHYAQV-GMSGAONNSA-N 1 0 275.215 2.432 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)o1 ZINC000171898503 165054477 /nfs/dbraw/zinc/05/44/77/165054477.db2.gz SYKNMALGKCVTNC-CHWSQXEVSA-N 1 0 277.368 2.139 10 0 CEAERO CCn1cc(C2CC[NH+]([C@H](C)COC)CC2)cn1 ZINC000173604912 165076532 /nfs/dbraw/zinc/07/65/32/165076532.db2.gz NQJVIMNZGDXPJR-GFCCVEGCSA-N 1 0 251.374 2.117 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc(C(C)C)no1 ZINC000175036593 165123250 /nfs/dbraw/zinc/12/32/50/165123250.db2.gz OYQMSRBQOUHKBN-CHWSQXEVSA-N 1 0 278.400 2.252 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)NCC1CCCCC1 ZINC000175361458 165133113 /nfs/dbraw/zinc/13/31/13/165133113.db2.gz KFWHRHMBNPTAGX-MRXNPFEDSA-N 1 0 295.471 2.099 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)CCCc2csc(C)n2)C1 ZINC000176267226 165159668 /nfs/dbraw/zinc/15/96/68/165159668.db2.gz VXDMAWJUJHBLKH-ZDUSSCGKSA-N 1 0 295.452 2.375 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C[C@H]1C=CCC1 ZINC000176998050 165181429 /nfs/dbraw/zinc/18/14/29/165181429.db2.gz VGEOWEXKVYXSAI-KBPBESRZSA-N 1 0 250.386 2.285 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CCC1CCOCC1 ZINC000176983312 165182722 /nfs/dbraw/zinc/18/27/22/165182722.db2.gz LRUGCBJCKHKCER-HNNXBMFYSA-N 1 0 282.428 2.136 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(C(C)C)nn1C ZINC000177024853 165185658 /nfs/dbraw/zinc/18/56/58/165185658.db2.gz HUPWDKXGYSGVMD-CYBMUJFWSA-N 1 0 292.427 2.100 10 0 CEAERO Fc1ccc2oc(CN3CC[N@@H+]4CCC[C@@H]4C3)nc2c1 ZINC000177066853 165186507 /nfs/dbraw/zinc/18/65/07/165186507.db2.gz YHWYJHLAYVOXOF-GFCCVEGCSA-N 1 0 275.327 2.247 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC(OCCC(C)C)CC1 ZINC000178428051 165241695 /nfs/dbraw/zinc/24/16/95/165241695.db2.gz OAYFDZMJQDSCNS-DZGCQCFKSA-N 1 0 284.444 2.414 10 0 CEAERO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)CCCOC ZINC000178416962 165241730 /nfs/dbraw/zinc/24/17/30/165241730.db2.gz CUIDUPTVOTYFNX-VXGBXAGGSA-N 1 0 266.389 2.080 10 0 CEAERO C[C@@H](NC(=O)C[C@@H]1CCC[NH2+]1)c1cccc(-n2ccnc2)c1 ZINC000178862805 165263977 /nfs/dbraw/zinc/26/39/77/165263977.db2.gz HDCNHIJEYGNDNG-HIFRSBDPSA-N 1 0 298.390 2.192 10 0 CEAERO CC(C)n1cc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cn1 ZINC000179686516 165287143 /nfs/dbraw/zinc/28/71/43/165287143.db2.gz LOJCFVJRTQFYGS-DZGCQCFKSA-N 1 0 262.401 2.133 10 0 CEAERO Cc1nnc([C@@H]2C[N@H+](CC3CCCCCC3)CCO2)[nH]1 ZINC000180105144 165295270 /nfs/dbraw/zinc/29/52/70/165295270.db2.gz ONCKKNYJGRIMKA-AWEZNQCLSA-N 1 0 278.400 2.457 10 0 CEAERO CC[C@@H]1C[C@@H](C(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)CCO1 ZINC000180346821 165306345 /nfs/dbraw/zinc/30/63/45/165306345.db2.gz RKGSRNGIZNFULK-SOUVJXGZSA-N 1 0 282.428 2.134 10 0 CEAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1nc2c(s1)CCCC2 ZINC000180488606 165314252 /nfs/dbraw/zinc/31/42/52/165314252.db2.gz UHJJONNRNIGMSV-RYUDHWBXSA-N 1 0 295.452 2.003 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1ccoc1 ZINC000180930878 165326078 /nfs/dbraw/zinc/32/60/78/165326078.db2.gz TUDFOZXXOMQJSY-GXTWGEPZSA-N 1 0 272.352 2.389 10 0 CEAERO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](CCOC)C(C)C ZINC000182231122 165367288 /nfs/dbraw/zinc/36/72/88/165367288.db2.gz IPVJTVLBMHGUKI-CHWSQXEVSA-N 1 0 280.416 2.326 10 0 CEAERO CCOC(=O)[C@H](CC(C)C)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000182340456 165369284 /nfs/dbraw/zinc/36/92/84/165369284.db2.gz JGHDCXYOVHXSIC-CABCVRRESA-N 1 0 282.428 2.134 10 0 CEAERO CC(C)c1cnc(CN2CCO[C@@H](C[NH+](C)C)C2)s1 ZINC000182933730 165380394 /nfs/dbraw/zinc/38/03/94/165380394.db2.gz QCNCAIISBMDBCR-LBPRGKRZSA-N 1 0 283.441 2.029 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CCC(=O)C[C@@H]1C ZINC000132823219 287222658 /nfs/dbraw/zinc/22/26/58/287222658.db2.gz SVQQJGFBQCUSSH-DSJMHWKBSA-N 1 0 292.423 2.077 10 0 CEAERO COc1ccc([C@H]2C[C@H](C)C[NH2+]2)c(OC)c1OC ZINC000003704247 169908521 /nfs/dbraw/zinc/90/85/21/169908521.db2.gz GUCWSHDPYSMILG-GXSJLCMTSA-N 1 0 251.326 2.383 10 0 CEAERO COc1cc(OC)c([C@H]2C[C@H](C)C[NH2+]2)cc1OC ZINC000003704219 169908591 /nfs/dbraw/zinc/90/85/91/169908591.db2.gz LKBHLZBUEBVOQX-GXSJLCMTSA-N 1 0 251.326 2.383 10 0 CEAERO C[NH+](C)C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000004819367 170022308 /nfs/dbraw/zinc/02/23/08/170022308.db2.gz PIGDJLGVMWCDEX-ZDUSSCGKSA-N 1 0 251.370 2.285 10 0 CEAERO [NH3+]C[C@H](O)COc1c(Cl)cc(Cl)cc1Cl ZINC000008028995 170314714 /nfs/dbraw/zinc/31/47/14/170314714.db2.gz IYICVBVLCCFGOY-LURJTMIESA-N 1 0 270.543 2.345 10 0 CEAERO [NH3+]C[C@H](c1cccc(F)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000008031252 170315405 /nfs/dbraw/zinc/31/54/05/170315405.db2.gz UVRGGPAAVYSPPO-CQSZACIVSA-N 1 0 297.326 2.439 10 0 CEAERO COc1ccc([C@H](C[NH3+])S(=O)(=O)c2ccccc2)cc1 ZINC000008037311 170315542 /nfs/dbraw/zinc/31/55/42/170315542.db2.gz DRLRWBXTESCSDL-HNNXBMFYSA-N 1 0 291.372 2.169 10 0 CEAERO C[C@H]1CCC[C@H]1OC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000010434816 170407018 /nfs/dbraw/zinc/40/70/18/170407018.db2.gz HUQYCVYAODPYGC-SOUVJXGZSA-N 1 0 255.402 2.284 10 0 CEAERO [NH3+]Cc1ccc(CN2CCCCCC2=O)c(F)c1 ZINC000019280262 170771402 /nfs/dbraw/zinc/77/14/02/170771402.db2.gz ASCOALODHUKBGJ-UHFFFAOYSA-N 1 0 250.317 2.187 10 0 CEAERO C[C@@H]1CC[C@H](C(=O)NC23CC4CC(CC(C4)C2)C3)C[NH2+]1 ZINC000019513031 170821492 /nfs/dbraw/zinc/82/14/92/170821492.db2.gz MPFFWFDHHAOHAI-BVOGVELGSA-N 1 0 276.424 2.460 10 0 CEAERO CC(C)(C)c1ccc(OCC[C@](C)(O)C[NH3+])cc1 ZINC000019668263 170834418 /nfs/dbraw/zinc/83/44/18/170834418.db2.gz CVAOCIQKPDLQGV-HNNXBMFYSA-N 1 0 251.370 2.463 10 0 CEAERO O=S(=O)(CC[C@@H]1CCCC[NH2+]1)c1cccs1 ZINC000020183748 171046731 /nfs/dbraw/zinc/04/67/31/171046731.db2.gz AEYHIGUSIHQJDH-JTQLQIEISA-N 1 0 259.396 2.054 10 0 CEAERO CC(C)CCNS(=O)(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000020187945 171052787 /nfs/dbraw/zinc/05/27/87/171052787.db2.gz MFKKUAUPQZUCJC-NSHDSACASA-N 1 0 270.398 2.031 10 0 CEAERO [NH3+]CCOc1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000020224552 171087374 /nfs/dbraw/zinc/08/73/74/171087374.db2.gz CNPZDBFETSRGBF-UHFFFAOYSA-N 1 0 270.332 2.205 10 0 CEAERO C[C@H]([NH2+]Cc1ccc(Cl)cc1)C(=O)NC1CC1 ZINC000020307282 171142636 /nfs/dbraw/zinc/14/26/36/171142636.db2.gz BEZLLEIIQNTIDO-VIFPVBQESA-N 1 0 252.745 2.097 10 0 CEAERO [NH3+]CCCn1cc(Br)c(C(F)(F)F)n1 ZINC000020313299 171145180 /nfs/dbraw/zinc/14/51/80/171145180.db2.gz CFKAGVDIWDTMFX-UHFFFAOYSA-N 1 0 272.068 2.013 10 0 CEAERO Cc1nc2sc3c(c2c(NCC[NH3+])n1)CC[C@@H](C)C3 ZINC000020323920 171150094 /nfs/dbraw/zinc/15/00/94/171150094.db2.gz NTNACAUTCUDVIH-MRVPVSSYSA-N 1 0 276.409 2.495 10 0 CEAERO CCC[C@H](C)NC(=O)[C@@H](C)NCCC[NH+](CC)CC ZINC000020365734 171164323 /nfs/dbraw/zinc/16/43/23/171164323.db2.gz YJCNPWMGJHMQQF-UONOGXRCSA-N 1 0 271.449 2.001 10 0 CEAERO CCC(C)(C)NC(=O)[C@@H](C)Oc1ccccc1C[NH3+] ZINC000020386359 171175856 /nfs/dbraw/zinc/17/58/56/171175856.db2.gz YADYYRBHIMLYAJ-LLVKDONJSA-N 1 0 264.369 2.217 10 0 CEAERO CC[C@@H](C)NC(=O)[C@@H](C)Oc1ccc([C@@H](C)[NH3+])cc1OC ZINC000020419850 171184925 /nfs/dbraw/zinc/18/49/25/171184925.db2.gz DFXWFWMBAZEDGS-IJLUTSLNSA-N 1 0 294.395 2.397 10 0 CEAERO CC[C@@H]([NH3+])c1ccccc1O[C@H](C)C(=O)NC(C)C ZINC000020419932 171185110 /nfs/dbraw/zinc/18/51/10/171185110.db2.gz XVFSVODHWBKWDM-DGCLKSJQSA-N 1 0 264.369 2.388 10 0 CEAERO COc1cccc(OC)c1[C@@H]([NH3+])Cc1ccccn1 ZINC000020429047 171194063 /nfs/dbraw/zinc/19/40/63/171194063.db2.gz WKBONYAXDWAXEY-LBPRGKRZSA-N 1 0 258.321 2.341 10 0 CEAERO CN1c2ccc([C@H]([NH3+])CC(F)(F)F)cc2CC1=O ZINC000020431227 171196127 /nfs/dbraw/zinc/19/61/27/171196127.db2.gz OBFTUUXVTQDZRE-SECBINFHSA-N 1 0 258.243 2.158 10 0 CEAERO C[C@@H]1CC[C@@H](C(=O)Nc2c(F)cccc2F)C[NH2+]1 ZINC000020476463 171220987 /nfs/dbraw/zinc/22/09/87/171220987.db2.gz SCSNJNCTZOKPPM-RKDXNWHRSA-N 1 0 254.280 2.291 10 0 CEAERO O=C(NCc1ccc(F)cc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000020564001 171252947 /nfs/dbraw/zinc/25/29/47/171252947.db2.gz LONNHHFLWNQJFL-OAHLLOKOSA-N 1 0 291.370 2.205 10 0 CEAERO CCCCN(CC)S(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000022146111 171356594 /nfs/dbraw/zinc/35/65/94/171356594.db2.gz AMIDUDSZOTWUPJ-UHFFFAOYSA-N 1 0 284.425 2.097 10 0 CEAERO COc1cc(N)ccc1NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000022151642 171358888 /nfs/dbraw/zinc/35/88/88/171358888.db2.gz XQKULASILIRKEV-GFCCVEGCSA-N 1 0 291.395 2.480 10 0 CEAERO C[C@H](C(=O)Nc1ccccc1N)[NH+]1CCC(C)CC1 ZINC000022152443 171359430 /nfs/dbraw/zinc/35/94/30/171359430.db2.gz ZVOGQKSHCMGAKF-GFCCVEGCSA-N 1 0 261.369 2.328 10 0 CEAERO COc1cc(N)ccc1NC(=O)CC[N@@H+]1CCC[C@@H](C)C1 ZINC000022153527 171360596 /nfs/dbraw/zinc/36/05/96/171360596.db2.gz DSBPHWGFZAJCPY-GFCCVEGCSA-N 1 0 291.395 2.338 10 0 CEAERO CC[NH+](CC)CCCC(=O)Nc1ccc(N)cc1OC ZINC000022155584 171362650 /nfs/dbraw/zinc/36/26/50/171362650.db2.gz VYZXBWXVVBKEJE-UHFFFAOYSA-N 1 0 279.384 2.338 10 0 CEAERO C[NH+](C)CCCC(=O)Nc1ccc(N)cc1Cl ZINC000022161708 171364074 /nfs/dbraw/zinc/36/40/74/171364074.db2.gz DDNSUYFZRARQNV-UHFFFAOYSA-N 1 0 255.749 2.203 10 0 CEAERO C[C@@H]1[C@@H](C)CCC[C@@H]1NS(=O)(=O)c1ccccc1C[NH3+] ZINC000022165828 171365655 /nfs/dbraw/zinc/36/56/55/171365655.db2.gz QFFMHZXKRHPIGI-SCRDCRAPSA-N 1 0 296.436 2.248 10 0 CEAERO CC[C@H](C)NC(=O)COc1ccc([C@@H]([NH3+])CC)cc1 ZINC000022175728 171370586 /nfs/dbraw/zinc/37/05/86/171370586.db2.gz RFMMNUBGTPQJGO-FZMZJTMJSA-N 1 0 264.369 2.390 10 0 CEAERO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1N)[NH+](C)C ZINC000022210570 171373694 /nfs/dbraw/zinc/37/36/94/171373694.db2.gz DLKQYSQKBWVOOQ-SSDOTTSWSA-N 1 0 275.274 2.176 10 0 CEAERO [NH3+]C[C@H](c1cnn(-c2ccccc2)c1)N1CCCCC1 ZINC000022211629 171374035 /nfs/dbraw/zinc/37/40/35/171374035.db2.gz PBBVVZKOQFRMDZ-MRXNPFEDSA-N 1 0 270.380 2.358 10 0 CEAERO Cc1ccc(NS(=O)(=O)c2ccccc2C[NH3+])cc1 ZINC000022217929 171376360 /nfs/dbraw/zinc/37/63/60/171376360.db2.gz XBEJDMXHEPTIOZ-UHFFFAOYSA-N 1 0 276.361 2.255 10 0 CEAERO CN(C)[C@H](C[NH3+])c1cc(Br)ccc1F ZINC000022219045 171376686 /nfs/dbraw/zinc/37/66/86/171376686.db2.gz MYEGCPVPTYMWDW-SNVBAGLBSA-N 1 0 261.138 2.150 10 0 CEAERO CC[C@H]([NH3+])c1ccccc1OCC(=O)NC(C)(C)C ZINC000022222979 171379064 /nfs/dbraw/zinc/37/90/64/171379064.db2.gz AFQGIGGWQQQLCL-LBPRGKRZSA-N 1 0 264.369 2.390 10 0 CEAERO CN(c1c(N)cccc1Cl)C1CC[NH+](C)CC1 ZINC000022222771 171379221 /nfs/dbraw/zinc/37/92/21/171379221.db2.gz GUWKUJIHTUYFPL-UHFFFAOYSA-N 1 0 253.777 2.453 10 0 CEAERO C[NH+](C)CCCNCc1nnc(-c2ccccc2Cl)o1 ZINC000030824729 171623906 /nfs/dbraw/zinc/62/39/06/171623906.db2.gz GJMVIWHJJHWMCE-UHFFFAOYSA-N 1 0 294.786 2.431 10 0 CEAERO CCC1CCC(C[NH3+])(NS(=O)(=O)c2ccccc2)CC1 ZINC000034955500 171901467 /nfs/dbraw/zinc/90/14/67/171901467.db2.gz UKRXVCFXODYFNO-UHFFFAOYSA-N 1 0 296.436 2.263 10 0 CEAERO C[C@@H]([NH2+]C1c2ccccc2-c2ccccc21)C(N)=O ZINC000035140058 172008201 /nfs/dbraw/zinc/00/82/01/172008201.db2.gz NJHAZTXJYPYCQO-SNVBAGLBSA-N 1 0 252.317 2.220 10 0 CEAERO c1cc2c(cc1CC[NH2+]C[C@@H]1CCCCO1)OCCO2 ZINC000035151160 172014462 /nfs/dbraw/zinc/01/44/62/172014462.db2.gz QSXLPGSXCCSHAX-AWEZNQCLSA-N 1 0 277.364 2.159 10 0 CEAERO CC(C)CNC(=O)[C@@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC000035180615 172034458 /nfs/dbraw/zinc/03/44/58/172034458.db2.gz BBXIMHIPCQZANR-DOMZBBRYSA-N 1 0 260.381 2.424 10 0 CEAERO CSc1ccc(C[NH2+][C@@]2(C)CCS(=O)(=O)C2)cc1 ZINC000035223137 172066995 /nfs/dbraw/zinc/06/69/95/172066995.db2.gz DBCBRHJHFSLMOQ-ZDUSSCGKSA-N 1 0 285.434 2.075 10 0 CEAERO CC[NH2+]Cc1cccc(OC)c1OC[C@@H]1CCCO1 ZINC000035413710 172186623 /nfs/dbraw/zinc/18/66/23/172186623.db2.gz YDCKXFHBALDVTN-ZDUSSCGKSA-N 1 0 265.353 2.363 10 0 CEAERO C[NH2+][C@H](c1cc(OC)ccc1OC)[C@H]1CCCO1 ZINC000035466744 172214252 /nfs/dbraw/zinc/21/42/52/172214252.db2.gz GEOLBTYJAHCSEG-ZIAGYGMSSA-N 1 0 251.326 2.143 10 0 CEAERO C[NH2+][C@@H](c1cccs1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000035488374 172223210 /nfs/dbraw/zinc/22/32/10/172223210.db2.gz HGCFKANAPKEKLJ-GFCCVEGCSA-N 1 0 259.334 2.227 10 0 CEAERO C[NH2+][C@H](c1ccco1)c1ccc2c(c1)CCC(=O)N2 ZINC000035490314 172224705 /nfs/dbraw/zinc/22/47/05/172224705.db2.gz NUNXAFPBNDXQHD-HNNXBMFYSA-N 1 0 256.305 2.473 10 0 CEAERO CCN(CC)C(=O)COc1ccc(C)cc1[C@H](C)[NH3+] ZINC000035629463 172309904 /nfs/dbraw/zinc/30/99/04/172309904.db2.gz AENILMMAFWHGAU-LBPRGKRZSA-N 1 0 264.369 2.262 10 0 CEAERO CCC[C@@H](C)[NH2+][C@H]1CS(=O)(=O)c2ccccc21 ZINC000035688114 172356456 /nfs/dbraw/zinc/35/64/56/172356456.db2.gz PCHUZCABQOPZPG-PWSUYJOCSA-N 1 0 253.367 2.293 10 0 CEAERO C[C@H]([NH2+]Cc1ccccc1C(N)=O)c1cccnc1 ZINC000035692110 172360759 /nfs/dbraw/zinc/36/07/59/172360759.db2.gz ZYRCBJZSZXDIMK-NSHDSACASA-N 1 0 255.321 2.031 10 0 CEAERO COCCSCCCOc1ccccc1C[NH3+] ZINC000035721901 172377690 /nfs/dbraw/zinc/37/76/90/172377690.db2.gz VHEZAXMZUSAJCH-UHFFFAOYSA-N 1 0 255.383 2.294 10 0 CEAERO CCC[NH2+][C@H]1c2ccccc2S(=O)(=O)C[C@@H]1C ZINC000035760565 172398912 /nfs/dbraw/zinc/39/89/12/172398912.db2.gz ISKFIMWZJJOQOG-GXFFZTMASA-N 1 0 253.367 2.151 10 0 CEAERO C[NH2+][C@H]1C[C@H](C)S(=O)(=O)c2c(Cl)cccc21 ZINC000035761326 172399121 /nfs/dbraw/zinc/39/91/21/172399121.db2.gz KQBXHCFEBUBTIL-XVKPBYJWSA-N 1 0 259.758 2.166 10 0 CEAERO O=Cc1cn(-c2cc[nH+]cc2)nc1-c1ccncc1 ZINC000035779445 172413164 /nfs/dbraw/zinc/41/31/64/172413164.db2.gz QQXGNPNTLKIJRM-UHFFFAOYSA-N 1 0 250.261 2.142 10 0 CEAERO CSCCC(=O)N[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC000036260713 172553584 /nfs/dbraw/zinc/55/35/84/172553584.db2.gz AHCWKZWTLMINSC-GFCCVEGCSA-N 1 0 270.442 2.311 10 0 CEAERO CC(C)C[C@H]([NH2+]C[C@H]1CC=CCC1)C(=O)N(C)C ZINC000036923609 172806766 /nfs/dbraw/zinc/80/67/66/172806766.db2.gz IXJNZUITRSYURD-KBPBESRZSA-N 1 0 252.402 2.435 10 0 CEAERO O=C(c1cc2c(cc1Cl)OCCO2)[C@@H]1CCC[NH2+]C1 ZINC000036925990 172808464 /nfs/dbraw/zinc/80/84/64/172808464.db2.gz VAIGSZLXFSFPCZ-SECBINFHSA-N 1 0 281.739 2.294 10 0 CEAERO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccccc1Cn1cccn1 ZINC000037023499 172887049 /nfs/dbraw/zinc/88/70/49/172887049.db2.gz XETAOHCGCOCSSP-WFASDCNBSA-N 1 0 286.379 2.243 10 0 CEAERO CC[NH2+]C[C@@H](O)COc1ccc(Cl)c(CC)c1 ZINC000037024241 172888293 /nfs/dbraw/zinc/88/82/93/172888293.db2.gz VMJIAHOJMQBHOK-LLVKDONJSA-N 1 0 257.761 2.252 10 0 CEAERO C[C@H](Cc1cccc(Cl)c1)NC(=O)CCC[NH3+] ZINC000037024403 172888525 /nfs/dbraw/zinc/88/85/25/172888525.db2.gz KJFYUZBUGOSIIW-SNVBAGLBSA-N 1 0 254.761 2.126 10 0 CEAERO CC[NH2+]Cc1c(C)nn(C)c1N(C)C[C@@H](C)CC ZINC000037173757 173007484 /nfs/dbraw/zinc/00/74/84/173007484.db2.gz AVBCWAQXEUVUOM-NSHDSACASA-N 1 0 252.406 2.320 10 0 CEAERO Cc1nc2sccn2c1C[NH2+]CC(C)(C)N(C)C ZINC000037220315 173038152 /nfs/dbraw/zinc/03/81/52/173038152.db2.gz MLSJIZKZBLQZMC-UHFFFAOYSA-N 1 0 266.414 2.134 10 0 CEAERO C=COCCC[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000037239341 173055961 /nfs/dbraw/zinc/05/59/61/173055961.db2.gz YEIGCLCAASAVRB-UHFFFAOYSA-N 1 0 266.307 2.153 10 0 CEAERO CCCNC(=O)[C@H](C)[NH2+][C@H](C)c1scnc1C ZINC000037280383 173088882 /nfs/dbraw/zinc/08/88/82/173088882.db2.gz RAHPYNJYEFWWBE-ZJUUUORDSA-N 1 0 255.387 2.017 10 0 CEAERO [NH3+][C@@H](Cc1ccccc1)c1ccc2[nH]c(=O)oc2c1 ZINC000037308742 173111849 /nfs/dbraw/zinc/11/18/49/173111849.db2.gz QSEWEGMNYQJCON-LBPRGKRZSA-N 1 0 254.289 2.364 10 0 CEAERO Cc1ccc([C@@H]([NH3+])c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000037308733 173112081 /nfs/dbraw/zinc/11/20/81/173112081.db2.gz QRJJHJZQNLGSBO-CQSZACIVSA-N 1 0 254.289 2.478 10 0 CEAERO CC(C)=CCN1CCC([NH2+][C@@H]2CCC[C@H](O)C2)CC1 ZINC000037321292 173122221 /nfs/dbraw/zinc/12/22/21/173122221.db2.gz BPZAUSMCWRWQQH-CVEARBPZSA-N 1 0 266.429 2.310 10 0 CEAERO O[C@H](c1cc2c(cc1Cl)OCCO2)[C@@H]1CCC[NH2+]C1 ZINC000037332259 173133176 /nfs/dbraw/zinc/13/31/76/173133176.db2.gz WTYGRRJRZAZACV-OTYXRUKQSA-N 1 0 283.755 2.144 10 0 CEAERO NC(=O)CC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000037362186 173151951 /nfs/dbraw/zinc/15/19/51/173151951.db2.gz WKDQJWRSVMFUMU-UHFFFAOYSA-N 1 0 254.333 2.241 10 0 CEAERO C[C@@H](NC(=O)C[NH2+]C1CC1)C12CC3CC(CC(C3)C1)C2 ZINC000037386773 173170053 /nfs/dbraw/zinc/17/00/53/173170053.db2.gz RAIYTQBNBBZNCT-SFCYXTAJSA-N 1 0 276.424 2.460 10 0 CEAERO COC(C[NH2+]Cc1ccc(C(F)(F)F)cc1)OC ZINC000037388199 173171400 /nfs/dbraw/zinc/17/14/00/173171400.db2.gz QICRYJQRMAVDJN-UHFFFAOYSA-N 1 0 263.259 2.414 10 0 CEAERO Cc1ccc(CN(C)C(=O)C[NH2+]C2CCCC2)o1 ZINC000037394939 173175381 /nfs/dbraw/zinc/17/53/81/173175381.db2.gz JMBASDGHKIELBZ-UHFFFAOYSA-N 1 0 250.342 2.079 10 0 CEAERO COC(=O)CCC[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000037416878 173193907 /nfs/dbraw/zinc/19/39/07/173193907.db2.gz QJZXEMJAIOIEJX-LLVKDONJSA-N 1 0 279.336 2.062 10 0 CEAERO CCCn1c2ccc(Cl)cc2nc1[C@H]([NH3+])[C@H](C)O ZINC000037440558 173210168 /nfs/dbraw/zinc/21/01/68/173210168.db2.gz YJCSHWIPJOCJLZ-QPUJVOFHSA-N 1 0 267.760 2.480 10 0 CEAERO [NH3+][C@H](CO)c1nc2cc(Cl)ccc2n1C1CC1 ZINC000037440829 173210589 /nfs/dbraw/zinc/21/05/89/173210589.db2.gz XZOFVEPGZFLQSO-SECBINFHSA-N 1 0 251.717 2.017 10 0 CEAERO CCOc1ccc(CN(C)C(=O)C[NH2+][C@@H](C)CC)cc1 ZINC000037493541 173233878 /nfs/dbraw/zinc/23/38/78/173233878.db2.gz VNZCJPFIIROWOC-ZDUSSCGKSA-N 1 0 278.396 2.432 10 0 CEAERO CCN(C(=O)Cc1ccc(C)cc1)[C@H]1CCC[NH2+]C1 ZINC000037541264 173263304 /nfs/dbraw/zinc/26/33/04/173263304.db2.gz YKPKXLXGKJSOHX-HNNXBMFYSA-N 1 0 260.381 2.138 10 0 CEAERO COc1cc(Cl)c(NC(=O)C[C@H](C)[NH3+])cc1OC ZINC000037608184 173556411 /nfs/dbraw/zinc/55/64/11/173556411.db2.gz HAJJIRLXFXPHSR-ZETCQYMHSA-N 1 0 272.732 2.033 10 0 CEAERO CCOc1ccccc1C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000037717230 173635329 /nfs/dbraw/zinc/63/53/29/173635329.db2.gz ZDBBRHAFPCLXRB-ZDUSSCGKSA-N 1 0 276.380 2.205 10 0 CEAERO CCOc1cccc(C[C@H](C)[NH3+])c1OCCOC ZINC000037728469 173648036 /nfs/dbraw/zinc/64/80/36/173648036.db2.gz XXXHRYNRCSRPTF-NSHDSACASA-N 1 0 253.342 2.000 10 0 CEAERO O=C(C1CCCC1)N1CCC[C@H]1C1CC[NH2+]CC1 ZINC000037915927 173849992 /nfs/dbraw/zinc/84/99/92/173849992.db2.gz CNDPBWOMIGLHNH-AWEZNQCLSA-N 1 0 250.386 2.167 10 0 CEAERO Cc1ccc(NC(=O)C[NH2+]CCc2ccco2)cc1 ZINC000037976021 173931583 /nfs/dbraw/zinc/93/15/83/173931583.db2.gz MZBNLJGPZFQSSA-UHFFFAOYSA-N 1 0 258.321 2.359 10 0 CEAERO Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@@H]2CCCOC2)c1 ZINC000038045388 174053704 /nfs/dbraw/zinc/05/37/04/174053704.db2.gz ICEZTLZKINCGKU-JKSUJKDBSA-N 1 0 293.407 2.059 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)c1cc(Cl)ccc1F ZINC000038049427 174060471 /nfs/dbraw/zinc/06/04/71/174060471.db2.gz YNSJJSMCKQGJDM-RYUDHWBXSA-N 1 0 270.735 2.479 10 0 CEAERO CC[C@@H](C)[NH2+][C@@](CC)(C(N)=O)c1ccc(F)cc1 ZINC000038065510 174076133 /nfs/dbraw/zinc/07/61/33/174076133.db2.gz DCBUZVZBPJKZBY-QMTHXVAHSA-N 1 0 252.333 2.304 10 0 CEAERO CC[C@H](C)[NH2+][C@](C)(C(N)=O)c1ccc(SC)cc1 ZINC000038065769 174077162 /nfs/dbraw/zinc/07/71/62/174077162.db2.gz WNBBLNVSOWAEHF-HZMBPMFUSA-N 1 0 266.410 2.497 10 0 CEAERO CCC[NH+]1CCC(N[C@@H](C)CC)(C(=O)OCC)CC1 ZINC000038067402 174079426 /nfs/dbraw/zinc/07/94/26/174079426.db2.gz HHDFRHKCVIRFHZ-ZDUSSCGKSA-N 1 0 270.417 2.182 10 0 CEAERO CCCS(=O)(=O)c1ccccc1NC[C@@H](C)[NH+](C)C ZINC000038089088 174102606 /nfs/dbraw/zinc/10/26/06/174102606.db2.gz WDXPOPCYGJODGA-GFCCVEGCSA-N 1 0 284.425 2.232 10 0 CEAERO CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)Cc1ccco1 ZINC000038092867 174106819 /nfs/dbraw/zinc/10/68/19/174106819.db2.gz WZQHFQXMHACMEG-NWDGAFQWSA-N 1 0 252.358 2.057 10 0 CEAERO COC(=O)c1ccc(CN2CC[NH2+][C@@H](CC(C)C)C2)cc1 ZINC000039952547 174177224 /nfs/dbraw/zinc/17/72/24/174177224.db2.gz LILPHBCZLUVCOF-INIZCTEOSA-N 1 0 290.407 2.293 10 0 CEAERO CCC[C@H]1CN(Cc2cccc(C(=O)OC)c2)CC[NH2+]1 ZINC000039952536 174177306 /nfs/dbraw/zinc/17/73/06/174177306.db2.gz BBSGEOLYNKKWEE-HNNXBMFYSA-N 1 0 276.380 2.047 10 0 CEAERO CC(C)(C)C[NH2+][C@@H]1CC(=O)N(C2CCCCCC2)C1=O ZINC000040493132 174292775 /nfs/dbraw/zinc/29/27/75/174292775.db2.gz RWRRQHJESQKEFX-CYBMUJFWSA-N 1 0 280.412 2.472 10 0 CEAERO C[NH2+][C@H](C)c1cccc(S(=O)(=O)NCC(C)(C)C)c1 ZINC000040495031 174293846 /nfs/dbraw/zinc/29/38/46/174293846.db2.gz JTLVQJAJKYRFDX-LLVKDONJSA-N 1 0 284.425 2.291 10 0 CEAERO CCN1CCC[C@@H]([NH2+]Cc2ccc(NC(C)=O)cc2)C1 ZINC000040502092 174298317 /nfs/dbraw/zinc/29/83/17/174298317.db2.gz HDAGULFZSUBMCK-MRXNPFEDSA-N 1 0 275.396 2.219 10 0 CEAERO CCc1ncc(C[NH2+][C@@H]2CCCN(CC)C2)s1 ZINC000040502999 174300219 /nfs/dbraw/zinc/30/02/19/174300219.db2.gz YGSSUYRUCUVPEO-LLVKDONJSA-N 1 0 253.415 2.279 10 0 CEAERO Cc1nc(C)c([C@@H](C)[NH2+]CC(=O)N2CCCCC2)s1 ZINC000040518872 174308658 /nfs/dbraw/zinc/30/86/58/174308658.db2.gz HBIPAZRKXMBFQD-SNVBAGLBSA-N 1 0 281.425 2.423 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)N[C@H](C)c1sc(C)nc1C ZINC000040519126 174308731 /nfs/dbraw/zinc/30/87/31/174308731.db2.gz OEJNCZGNEFTQNL-PSASIEDQSA-N 1 0 269.414 2.325 10 0 CEAERO CC[NH+](CC)[C@H](CNC(=O)OC)c1ccc(OC)cc1 ZINC000040614926 174353615 /nfs/dbraw/zinc/35/36/15/174353615.db2.gz HYNBRAPKDMCOKB-CQSZACIVSA-N 1 0 280.368 2.434 10 0 CEAERO CO[C@H]1C[NH2+][C@H](C(=O)Nc2ccc(C(C)C)cc2)C1 ZINC000040630242 174358056 /nfs/dbraw/zinc/35/80/56/174358056.db2.gz ZWLZGWPVQPSQHU-KGLIPLIRSA-N 1 0 262.353 2.125 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2ccc(OC(C)C)cc2C)C1 ZINC000040634354 174360420 /nfs/dbraw/zinc/36/04/20/174360420.db2.gz LJRLCFZGAPVNCR-ZFWWWQNUSA-N 1 0 292.379 2.098 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](C(=O)N(C)[C@@H](C)c2ccccc2Cl)C1 ZINC000040635311 174361045 /nfs/dbraw/zinc/36/10/45/174361045.db2.gz ATKWKWWICYPEBB-MJVIPROJSA-N 1 0 296.798 2.236 10 0 CEAERO COc1ccc(-c2c[nH]c([C@@H]3C[C@@H](OC)C[NH2+]3)n2)cc1F ZINC000040637805 174362077 /nfs/dbraw/zinc/36/20/77/174362077.db2.gz KNSXOPRMGXUHFE-PWSUYJOCSA-N 1 0 291.326 2.274 10 0 CEAERO COc1ccccc1C[C@H](C)[NH2+]CCc1nccn1C ZINC000040639204 174364035 /nfs/dbraw/zinc/36/40/35/174364035.db2.gz NMNUXLVVSWNPSJ-ZDUSSCGKSA-N 1 0 273.380 2.192 10 0 CEAERO COc1cc([C@H](C)[NH2+][C@@H]2CCCN(C)C2)ccc1O ZINC000040672151 174370398 /nfs/dbraw/zinc/37/03/98/174370398.db2.gz FVBFYQZIJNXGAW-WCQYABFASA-N 1 0 264.369 2.146 10 0 CEAERO Nc1c(Nc2cc[nH+]cc2)ncnc1Nc1ccccn1 ZINC000040687584 174375756 /nfs/dbraw/zinc/37/57/56/174375756.db2.gz ZOVQDMGEAXFXGC-UHFFFAOYSA-N 1 0 279.307 2.336 10 0 CEAERO NNc1[nH+]cnc(Oc2ccc3ccccc3c2)c1N ZINC000040687841 174375947 /nfs/dbraw/zinc/37/59/47/174375947.db2.gz LOHZZWADVOEVML-UHFFFAOYSA-N 1 0 267.292 2.290 10 0 CEAERO C[C@@H](C(=O)Nc1ccc(F)cc1N)[N@@H+]1CC[C@@H](C)C1 ZINC000040716770 174384149 /nfs/dbraw/zinc/38/41/49/174384149.db2.gz FBWHTZBGKJJOGZ-ZJUUUORDSA-N 1 0 265.332 2.077 10 0 CEAERO Cc1cc(=O)n(C[C@@H]([NH3+])c2ccc3ccccc3c2)cn1 ZINC000040728134 174387831 /nfs/dbraw/zinc/38/78/31/174387831.db2.gz HMYJXCYXDMXTLJ-MRXNPFEDSA-N 1 0 279.343 2.405 10 0 CEAERO Oc1ccc(CC[NH2+][C@H]2COc3cc(O)ccc32)cc1 ZINC000040735467 174389228 /nfs/dbraw/zinc/38/92/28/174389228.db2.gz WMZRQYHVBSUCJT-HNNXBMFYSA-N 1 0 271.316 2.364 10 0 CEAERO C[C@@H]1CC(=O)N(C[C@@H]([NH3+])c2ccc(C(C)(C)C)cc2)C1=O ZINC000040739862 174390350 /nfs/dbraw/zinc/39/03/50/174390350.db2.gz IZTPKJTZNUEVDS-BXUZGUMPSA-N 1 0 288.391 2.379 10 0 CEAERO C[C@@H]1CC(=O)N(C[C@H]([NH3+])c2cccc3ccccc32)C1=O ZINC000040739842 174390389 /nfs/dbraw/zinc/39/03/89/174390389.db2.gz ZMRDTPQECKMMNE-ABAIWWIYSA-N 1 0 282.343 2.235 10 0 CEAERO CCc1ccc(C(=O)N2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040749691 174394439 /nfs/dbraw/zinc/39/44/39/174394439.db2.gz IOBUWOYPSYRTPU-GOOCMWNKSA-N 1 0 258.365 2.343 10 0 CEAERO COc1ccc(C(C)=O)cc1CN1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750317 174394697 /nfs/dbraw/zinc/39/46/97/174394697.db2.gz JZJOBGDKLKEEFE-MQVJKMGUSA-N 1 0 288.391 2.352 10 0 CEAERO Cc1ccc(NC(=O)CN2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1C ZINC000040750024 174394950 /nfs/dbraw/zinc/39/49/50/174394950.db2.gz PWBKEGHUPPNOQH-VHRNVKJDSA-N 1 0 287.407 2.196 10 0 CEAERO CC[C@@H]([NH3+])C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000040856026 174423132 /nfs/dbraw/zinc/42/31/32/174423132.db2.gz POKDCFBMXICRPF-SECBINFHSA-N 1 0 296.392 2.089 10 0 CEAERO Cc1cc(C)cc(OCC[N@@H+]2C[C@H](C)C[C@@H](O)C2)c1 ZINC000401698498 414754623 /nfs/dbraw/zinc/75/46/23/414754623.db2.gz LTKPSBPIDFTKAG-HUUCEWRRSA-N 1 0 263.381 2.385 10 0 CEAERO CN(C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)[C@H]1CCC[NH2+]CC1 ZINC000402776329 414759726 /nfs/dbraw/zinc/75/97/26/414759726.db2.gz ARVZZUPWNHFXHP-CBBWQLFWSA-N 1 0 262.397 2.189 10 0 CEAERO Cc1ccc(C)c(OCCn2cc(C(C)(C)[NH3+])nn2)c1 ZINC000070118628 414766487 /nfs/dbraw/zinc/76/64/87/414766487.db2.gz LQIDXDJVFRLGQM-UHFFFAOYSA-N 1 0 274.368 2.168 10 0 CEAERO CCCN(CC[NH3+])C(=O)c1ccc(OC(F)F)cc1 ZINC000041160592 174502624 /nfs/dbraw/zinc/50/26/24/174502624.db2.gz AGAZJEWOGPYIEL-UHFFFAOYSA-N 1 0 272.295 2.099 10 0 CEAERO C[C@H]1CN(C(=O)[C@@]2(C)CCC[NH2+]2)CCc2ccccc21 ZINC000404870996 414791211 /nfs/dbraw/zinc/79/12/11/414791211.db2.gz UPBXFBYDLSLVPT-SUMWQHHRSA-N 1 0 272.392 2.317 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)c1cccs1 ZINC000407453089 414801453 /nfs/dbraw/zinc/80/14/53/414801453.db2.gz MLSSXIYVEPQECU-DLOVCJGASA-N 1 0 264.394 2.456 10 0 CEAERO CC(C)Oc1ncccc1CN[C@H]1CCC[NH2+]CC1 ZINC000129182531 414811930 /nfs/dbraw/zinc/81/19/30/414811930.db2.gz LLAXGLWJPRROKY-AWEZNQCLSA-N 1 0 263.385 2.101 10 0 CEAERO COc1ccc(N(C)C(=O)[C@H]([NH3+])CC(C)C)cc1 ZINC000130107874 414812866 /nfs/dbraw/zinc/81/28/66/414812866.db2.gz BLZKEQJLDIRCIL-CYBMUJFWSA-N 1 0 250.342 2.031 10 0 CEAERO Cc1ccc(C(=O)N(C)[C@H](C[NH3+])C(F)(F)F)c(C)c1 ZINC000662976848 414816350 /nfs/dbraw/zinc/81/63/50/414816350.db2.gz QTNQRNDFFJPDCA-LLVKDONJSA-N 1 0 274.286 2.265 10 0 CEAERO CN(C(=O)c1cccc2cc[nH]c21)[C@H](C[NH3+])C(F)(F)F ZINC000662986684 414818121 /nfs/dbraw/zinc/81/81/21/414818121.db2.gz IAIYQFHFRUJYPA-SNVBAGLBSA-N 1 0 285.269 2.130 10 0 CEAERO CCCC[C@@H](C)C(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662985012 414818617 /nfs/dbraw/zinc/81/86/17/414818617.db2.gz QCIUMRLMDUHTTN-RKDXNWHRSA-N 1 0 254.296 2.161 10 0 CEAERO CN(C(=O)c1ccc(F)c(Cl)c1)[C@@H](C[NH3+])C(F)(F)F ZINC000662985721 414819091 /nfs/dbraw/zinc/81/90/91/414819091.db2.gz ZGMJNCTUNLFVGF-VIFPVBQESA-N 1 0 298.667 2.441 10 0 CEAERO O[C@@H]1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1CCO[C@H]1CC1(F)F ZINC000660465666 414834818 /nfs/dbraw/zinc/83/48/18/414834818.db2.gz RTCOKTJRIMLJLE-RQJABVFESA-N 1 0 289.366 2.426 10 0 CEAERO Cc1noc(Cn2ccc3c2CC(C)(C)C[C@H]3[NH3+])n1 ZINC000041721924 174618227 /nfs/dbraw/zinc/61/82/27/174618227.db2.gz MVWRFUWLSFNGGN-LLVKDONJSA-N 1 0 260.341 2.200 10 0 CEAERO CC(C)C1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CC1 ZINC000653097472 414906213 /nfs/dbraw/zinc/90/62/13/414906213.db2.gz NGRPGMKERPTBEW-VXGBXAGGSA-N 1 0 292.345 2.279 10 0 CEAERO CC[C@H](C)CN(CC)C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653100616 414907269 /nfs/dbraw/zinc/90/72/69/414907269.db2.gz SJYYYNUIIBVYBE-HBNTYKKESA-N 1 0 280.334 2.279 10 0 CEAERO Cc1ncc(C[NH2+][C@@H](C)CN(C)Cc2ccccc2)n1C ZINC000657430215 414932059 /nfs/dbraw/zinc/93/20/59/414932059.db2.gz ZLKRRHRPRPETLY-AWEZNQCLSA-N 1 0 286.423 2.339 10 0 CEAERO CCCc1nccnc1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000663386643 414938618 /nfs/dbraw/zinc/93/86/18/414938618.db2.gz QOBURWMHRSGKFS-GFCCVEGCSA-N 1 0 260.385 2.325 10 0 CEAERO CCc1noc(C2(c3ccccc3)CC[NH2+]CC2)n1 ZINC000042326557 174685656 /nfs/dbraw/zinc/68/56/56/174685656.db2.gz IDZFOFDBEDOLHP-UHFFFAOYSA-N 1 0 257.337 2.302 10 0 CEAERO C[C@@H]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653079312 414899514 /nfs/dbraw/zinc/89/95/14/414899514.db2.gz ZRIQDHLHBKQRGU-DDHJBXDOSA-N 1 0 292.345 2.327 10 0 CEAERO CC(C)[C@H]([NH3+])CCNc1nnc(C(F)F)s1 ZINC000663275973 414901114 /nfs/dbraw/zinc/90/11/14/414901114.db2.gz SZKXPINEEOOWES-ZCFIWIBFSA-N 1 0 250.318 2.261 10 0 CEAERO C[NH2+]C[C@@H](C)Nc1ccc(Br)c(C)n1 ZINC000663281309 414902911 /nfs/dbraw/zinc/90/29/11/414902911.db2.gz RPHCVVZXZBCAAW-SSDOTTSWSA-N 1 0 258.163 2.172 10 0 CEAERO Nc1cccc2c1ccnc2N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000663566735 414990410 /nfs/dbraw/zinc/99/04/10/414990410.db2.gz MKXSFIDIIJTWSD-GFCCVEGCSA-N 1 0 268.364 2.101 10 0 CEAERO CC(C)C[C@H](C)[N@H+](C)CCCn1cc(N)ccc1=O ZINC000042561806 174797253 /nfs/dbraw/zinc/79/72/53/174797253.db2.gz PJMJALJUNUBFSG-ZDUSSCGKSA-N 1 0 265.401 2.187 10 0 CEAERO Cc1nnc(N(CC(C)C)C(C)C)c(C(N)=[NH2+])c1C ZINC000042583998 174807461 /nfs/dbraw/zinc/80/74/61/174807461.db2.gz ZDPQICXHBPRNJG-UHFFFAOYSA-N 1 0 263.389 2.248 10 0 CEAERO CC(C)CN(C(C)C)S(=O)(=O)Cc1cccc(C[NH3+])c1 ZINC000042589124 174810853 /nfs/dbraw/zinc/81/08/53/174810853.db2.gz PFWQEKCELHLZME-UHFFFAOYSA-N 1 0 298.452 2.342 10 0 CEAERO CC[NH2+]Cc1ccccc1N(CCOC)[C@H](C)COC ZINC000042609310 174822454 /nfs/dbraw/zinc/82/24/54/174822454.db2.gz JHSYLZIRUYQKAG-CQSZACIVSA-N 1 0 280.412 2.284 10 0 CEAERO CN1C[C@@H](C[NH2+]Cc2coc3ccccc23)CC1=O ZINC000657697045 415052867 /nfs/dbraw/zinc/05/28/67/415052867.db2.gz YKYULWGJZSIVEN-LLVKDONJSA-N 1 0 258.321 2.001 10 0 CEAERO OCC1CC([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000657808417 415087756 /nfs/dbraw/zinc/08/77/56/415087756.db2.gz IXDMOYFIXBMTSB-UHFFFAOYSA-N 1 0 297.782 2.362 10 0 CEAERO OCC1CC([NH2+]Cc2ccc(Br)cc2)C1 ZINC000657808345 415087953 /nfs/dbraw/zinc/08/79/53/415087953.db2.gz GCFDFNJGYFKPEY-UHFFFAOYSA-N 1 0 270.170 2.310 10 0 CEAERO COc1cccc(C[NH2+]C2CC(CO)C2)c1OC(F)F ZINC000657809497 415088760 /nfs/dbraw/zinc/08/87/60/415088760.db2.gz ZGHLYMJJXMBXLV-UHFFFAOYSA-N 1 0 287.306 2.157 10 0 CEAERO COc1cc(C[NH2+]C2CC(CO)C2)c(SC)cc1OC ZINC000657813191 415090624 /nfs/dbraw/zinc/09/06/24/415090624.db2.gz SFVZJIOBBHQWPL-UHFFFAOYSA-N 1 0 297.420 2.286 10 0 CEAERO C[C@H]1CN(c2nccc3c(N)cccc32)C[C@H]1[NH+](C)C ZINC000663710496 415023783 /nfs/dbraw/zinc/02/37/83/415023783.db2.gz UHOUORZBTZUXJV-XHDPSFHLSA-N 1 0 270.380 2.203 10 0 CEAERO CCN(CC)C(=O)CN(C)[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000042946248 174921249 /nfs/dbraw/zinc/92/12/49/174921249.db2.gz RORKJFMVGVFFHL-CQSZACIVSA-N 1 0 297.830 2.140 10 0 CEAERO [NH3+]C[C@H](Sc1nnnn1C1CC1)c1ccc(Cl)cc1 ZINC000042950357 174923473 /nfs/dbraw/zinc/92/34/73/174923473.db2.gz QNZMRAXRUMIAMS-NSHDSACASA-N 1 0 295.799 2.454 10 0 CEAERO [NH3+]C[C@@H](Sc1nnnn1C1CC1)c1ccc(Cl)cc1 ZINC000042950353 174923677 /nfs/dbraw/zinc/92/36/77/174923677.db2.gz QNZMRAXRUMIAMS-LLVKDONJSA-N 1 0 295.799 2.454 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cccc(Br)c1)n1cncn1 ZINC000043022034 174945264 /nfs/dbraw/zinc/94/52/64/174945264.db2.gz UEPSFCMTEDFTAO-NEPJUHHUSA-N 1 0 295.184 2.367 10 0 CEAERO COc1cccc([C@H](Sc2nncn2C)[C@H](C)[NH3+])c1 ZINC000043031989 174949032 /nfs/dbraw/zinc/94/90/32/174949032.db2.gz FZTDPMZJHRBMAP-JOYOIKCWSA-N 1 0 278.381 2.004 10 0 CEAERO NC(=[NH2+])c1ccc(Cn2ccc(C(F)(F)F)n2)cc1 ZINC000043298658 174999681 /nfs/dbraw/zinc/99/96/81/174999681.db2.gz VUHAYMGZFBXPQC-UHFFFAOYSA-N 1 0 268.242 2.234 10 0 CEAERO [NH3+][C@H](c1cc(Cl)cc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300098 175001069 /nfs/dbraw/zinc/00/10/69/175001069.db2.gz NYOMCMGAZKVQRF-HQJQHLMTSA-N 1 0 294.203 2.428 10 0 CEAERO CC[NH2+][C@H](c1cccc(OCC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043301079 175002097 /nfs/dbraw/zinc/00/20/97/175002097.db2.gz QHHPFBBJUASOCA-DZGCQCFKSA-N 1 0 297.420 2.171 10 0 CEAERO CC[NH+](CC)CCN[C@H](C(=O)OC)c1cccc(C)c1C ZINC000043315611 175004907 /nfs/dbraw/zinc/00/49/07/175004907.db2.gz RTHUNBHRJHVUKX-INIZCTEOSA-N 1 0 292.423 2.449 10 0 CEAERO COc1ccc(Cl)c(NC(=O)[C@@H]2CCCC[NH2+]2)c1 ZINC000043318534 175005596 /nfs/dbraw/zinc/00/55/96/175005596.db2.gz JVIZGELNLNYKRN-NSHDSACASA-N 1 0 268.744 2.429 10 0 CEAERO COc1ccc(Cl)c(NC(=O)C[C@@H]2CCC[NH2+]2)c1 ZINC000043318672 175005759 /nfs/dbraw/zinc/00/57/59/175005759.db2.gz IGVTYBBRWRUMTR-VIFPVBQESA-N 1 0 268.744 2.429 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccco1)N1CCC(OC)CC1 ZINC000043334788 175010553 /nfs/dbraw/zinc/01/05/53/175010553.db2.gz FOMZZAKDIRAYMZ-GXTWGEPZSA-N 1 0 252.358 2.169 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccco1)N(CC)[C@@H](C)COC ZINC000043336294 175012121 /nfs/dbraw/zinc/01/21/21/175012121.db2.gz NJECBXIMMJSFLS-OUCADQQQSA-N 1 0 254.374 2.415 10 0 CEAERO CC[C@H]([NH3+])[C@@H](SCCC(=O)OC)c1ccco1 ZINC000043338527 175013200 /nfs/dbraw/zinc/01/32/00/175013200.db2.gz YJRUAIBLVATVPJ-JOYOIKCWSA-N 1 0 257.355 2.354 10 0 CEAERO CCOC(=O)CS[C@@H](c1ccco1)[C@@H]([NH3+])CC ZINC000043338547 175013382 /nfs/dbraw/zinc/01/33/82/175013382.db2.gz JEDPTFVHYSIKPW-JOYOIKCWSA-N 1 0 257.355 2.354 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1ccccn1)N(CCO)C1CCCCC1 ZINC000043340841 175014356 /nfs/dbraw/zinc/01/43/56/175014356.db2.gz KGILPGZHJAXIMN-BBRMVZONSA-N 1 0 277.412 2.097 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Oc1ccccc1C(N)=O)c1ccccn1 ZINC000043342964 175015872 /nfs/dbraw/zinc/01/58/72/175015872.db2.gz UGFBHQJQKPLIOW-DOMZBBRYSA-N 1 0 285.347 2.038 10 0 CEAERO C[C@@H]([NH3+])[C@H](Sc1nncs1)c1ccccn1 ZINC000043344638 175016424 /nfs/dbraw/zinc/01/64/24/175016424.db2.gz HSFVQLXXOLCMKJ-APPZFPTMSA-N 1 0 252.368 2.114 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cccnc1)N1C[C@@H](C)OC[C@@H]1CC ZINC000043346629 175017316 /nfs/dbraw/zinc/01/73/16/175017316.db2.gz LOUMIYPWENTXGM-BVUBDWEXSA-N 1 0 277.412 2.359 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1cccnc1)N(C)CC(F)(F)F ZINC000043347070 175017496 /nfs/dbraw/zinc/01/74/96/175017496.db2.gz DLYYZDYAGWPIJR-WDEREUQCSA-N 1 0 261.291 2.354 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1cccnc1)N(C)CCc1ccncc1 ZINC000043347090 175017917 /nfs/dbraw/zinc/01/79/17/175017917.db2.gz DQAZNCNYSCJMSX-IRXDYDNUSA-N 1 0 284.407 2.430 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cccnc1)N(C)CCc1ccncc1 ZINC000043347092 175018241 /nfs/dbraw/zinc/01/82/41/175018241.db2.gz DQAZNCNYSCJMSX-SJORKVTESA-N 1 0 284.407 2.430 10 0 CEAERO C[C@@H]([NH3+])[C@H](OC[C@@H]1CCCCO1)c1cccnc1 ZINC000043350300 175019288 /nfs/dbraw/zinc/01/92/88/175019288.db2.gz XISNSHXFEKNPNO-XBFCOCLRSA-N 1 0 250.342 2.056 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1nccn1C)c1cccnc1 ZINC000043351627 175019895 /nfs/dbraw/zinc/01/98/95/175019895.db2.gz CZVQOZQNLHVVOL-NWDGAFQWSA-N 1 0 262.382 2.386 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1n[nH]c(C)n1)c1cccnc1 ZINC000043352839 175020012 /nfs/dbraw/zinc/02/00/12/175020012.db2.gz AYPWNQSMJRHJNV-MNOVXSKESA-N 1 0 263.370 2.079 10 0 CEAERO CC[C@H]([NH3+])[C@H](Oc1ccc(CO)cc1)c1ccncc1 ZINC000043356306 175023654 /nfs/dbraw/zinc/02/36/54/175023654.db2.gz HDGMMNYERAIWCJ-JKSUJKDBSA-N 1 0 272.348 2.431 10 0 CEAERO [NH3+]C[C@@H](Oc1ccc(F)c(F)c1)c1ccncc1 ZINC000043356195 175023773 /nfs/dbraw/zinc/02/37/73/175023773.db2.gz QBXVPASLBQTPAA-CYBMUJFWSA-N 1 0 250.248 2.439 10 0 CEAERO Cc1ccc([C@H]([C@H](C)[NH3+])N2CCOCC2(C)C)o1 ZINC000043364747 175025402 /nfs/dbraw/zinc/02/54/02/175025402.db2.gz UTISYESDOSDPOV-AAEUAGOBSA-N 1 0 252.358 2.087 10 0 CEAERO Cc1ccc([C@@H]([C@@H](C)[NH3+])N(C)C2CCOCC2)o1 ZINC000043364458 175025631 /nfs/dbraw/zinc/02/56/31/175025631.db2.gz SLINXOBSBBQRAV-BXUZGUMPSA-N 1 0 252.358 2.087 10 0 CEAERO CCN(C[C@@H]1CCCO1)[C@@H](c1ccc(C)o1)[C@@H](C)[NH3+] ZINC000043364784 175025825 /nfs/dbraw/zinc/02/58/25/175025825.db2.gz RRCNFDIYCLEPFI-VNHYZAJKSA-N 1 0 266.385 2.477 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)N(CCOC)[C@@H](C)COC ZINC000043365279 175026252 /nfs/dbraw/zinc/02/62/52/175026252.db2.gz ZLJUYIVOFLUURU-JGGQBBKZSA-N 1 0 298.427 2.350 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](N(C)CCc1ccccn1)C(F)(F)F ZINC000043376782 175029989 /nfs/dbraw/zinc/02/99/89/175029989.db2.gz POCHRIQZEUHCOF-VXGBXAGGSA-N 1 0 275.318 2.224 10 0 CEAERO C[C@H]([NH3+])[C@H](N1CCC[C@@H]1c1cccnc1)C(F)(F)F ZINC000043377494 175030107 /nfs/dbraw/zinc/03/01/07/175030107.db2.gz BLQWJUSXVLMYFO-WCQGTBRESA-N 1 0 273.302 2.497 10 0 CEAERO CC[C@H]([NH3+])[C@H](N(CCOC)[C@@H](C)C1CC1)C(F)(F)F ZINC000043379142 175030831 /nfs/dbraw/zinc/03/08/31/175030831.db2.gz SDESHWLEFVHVSR-DLOVCJGASA-N 1 0 282.350 2.402 10 0 CEAERO CCN(CC(F)(F)F)[C@H]([C@@H](C)[NH3+])C(F)(F)F ZINC000043379221 175030936 /nfs/dbraw/zinc/03/09/36/175030936.db2.gz MXNFEOAGBYIBHA-PHDIDXHHSA-N 1 0 252.202 2.149 10 0 CEAERO CC(=O)Nc1ccccc1O[C@H]([C@H](C)[NH3+])C(F)(F)F ZINC000043384022 175031331 /nfs/dbraw/zinc/03/13/31/175031331.db2.gz SKBNNQWWRHUOAV-WRWORJQWSA-N 1 0 276.258 2.302 10 0 CEAERO CC[C@H]([NH3+])[C@H](Oc1ccc(CO)cc1)C(F)(F)F ZINC000043385345 175031526 /nfs/dbraw/zinc/03/15/26/175031526.db2.gz DTUHQTBWKKDBEP-QWRGUYRKSA-N 1 0 263.259 2.226 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1ncccn1)C(F)(F)F ZINC000043385957 175032088 /nfs/dbraw/zinc/03/20/88/175032088.db2.gz JWJFUPOGJCBRQC-BQBZGAKWSA-N 1 0 251.277 2.237 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](c2nc(-c3cc(F)cc(F)c3)no2)C1 ZINC000043387541 175033214 /nfs/dbraw/zinc/03/32/14/175033214.db2.gz PUULPVMVDNBZDT-QWRGUYRKSA-N 1 0 281.262 2.064 10 0 CEAERO CCC[NH2+][C@H]1CCC2(C[C@@H]1N1CCC(C)CC1)OCCO2 ZINC000043806890 175108211 /nfs/dbraw/zinc/10/82/11/175108211.db2.gz IGPBSFZPBHRMQO-HOTGVXAUSA-N 1 0 296.455 2.382 10 0 CEAERO CC[NH2+][C@H](CN(CC)CC)c1ccc2c(c1)OCO2 ZINC000043809278 175109854 /nfs/dbraw/zinc/10/98/54/175109854.db2.gz HAGVMZDBQBNUGX-CYBMUJFWSA-N 1 0 264.369 2.408 10 0 CEAERO CC[NH2+][C@H]1CCC2(C[C@@H]1N1CCCCCC1)OCCO2 ZINC000043812220 175111019 /nfs/dbraw/zinc/11/10/19/175111019.db2.gz VSUDZEXNMLIKSM-GJZGRUSLSA-N 1 0 282.428 2.136 10 0 CEAERO CCC[NH2+][C@@H]1CCC2(C[C@H]1N1CCCCC1)OCCO2 ZINC000043814527 175111689 /nfs/dbraw/zinc/11/16/89/175111689.db2.gz JHVWEHJUYPKKDC-HUUCEWRRSA-N 1 0 282.428 2.136 10 0 CEAERO C[NH2+][C@@H]1c2ccc(OC)cc2CC[C@H]1N(C)C1CC1 ZINC000043822876 175114752 /nfs/dbraw/zinc/11/47/52/175114752.db2.gz QMVSNPZJYYBUIX-HZPDHXFCSA-N 1 0 260.381 2.365 10 0 CEAERO CCCN(CC)C[C@@H]([NH2+]C)c1ccc2c(c1)OCO2 ZINC000043884359 175116687 /nfs/dbraw/zinc/11/66/87/175116687.db2.gz KGYUKSQKMBIMJU-CYBMUJFWSA-N 1 0 264.369 2.408 10 0 CEAERO CCC[NH2+][C@H]1CCOC[C@H]1N(CC)C1CCCC1 ZINC000043890912 175118133 /nfs/dbraw/zinc/11/81/33/175118133.db2.gz BDXARPUKCXZVIC-LSDHHAIUSA-N 1 0 254.418 2.408 10 0 CEAERO CCN(C1CCCC1)[C@@H]1CC2(CC[C@@H]1[NH2+]C)OCCO2 ZINC000043890564 175118166 /nfs/dbraw/zinc/11/81/66/175118166.db2.gz DGVHVZMWSNGUKA-LSDHHAIUSA-N 1 0 282.428 2.135 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2C[C@H]1N1CCC(OC)CC1 ZINC000043890219 175118333 /nfs/dbraw/zinc/11/83/33/175118333.db2.gz GPXRTFIERXWJGV-SJORKVTESA-N 1 0 274.408 2.373 10 0 CEAERO CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N1CCOC[C@@H]1C ZINC000043891731 175118737 /nfs/dbraw/zinc/11/87/37/175118737.db2.gz MYJGKAJWRQGQSL-BARDWOONSA-N 1 0 254.418 2.264 10 0 CEAERO C[NH2+][C@@H](c1ccc(OC)cc1)[C@H](C)N1CCOC(C)(C)C1 ZINC000043897703 175120266 /nfs/dbraw/zinc/12/02/66/175120266.db2.gz TWRPZLIQLMZSPQ-XJKSGUPXSA-N 1 0 292.423 2.455 10 0 CEAERO C[NH2+][C@H](c1ccccc1)[C@H](C)N1CCOC(C)(C)C1 ZINC000043897604 175120705 /nfs/dbraw/zinc/12/07/05/175120705.db2.gz XSUASYWDYFXXHO-ZFWWWQNUSA-N 1 0 262.397 2.446 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2CC[C@@H]1N(C)C1CCOCC1 ZINC000043898290 175121153 /nfs/dbraw/zinc/12/11/53/175121153.db2.gz DMNYNVWLQFGKDT-DLBZAZTESA-N 1 0 274.408 2.373 10 0 CEAERO CC[C@@H]1COCCN1[C@@H]1CCCCCC[C@@H]1[NH2+]C ZINC000043898898 175121397 /nfs/dbraw/zinc/12/13/97/175121397.db2.gz VWLIQBKGJQQYDH-QLFBSQMISA-N 1 0 254.418 2.408 10 0 CEAERO CCC[NH2+][C@H]1CCCC[C@H]1N(C)C1CCOCC1 ZINC000043898762 175121511 /nfs/dbraw/zinc/12/15/11/175121511.db2.gz ABHBCHKYJPMHCW-LSDHHAIUSA-N 1 0 254.418 2.408 10 0 CEAERO CCOC1CCN([C@H]2Cc3ccccc3[C@H]2[NH2+]C)CC1 ZINC000043907022 175123321 /nfs/dbraw/zinc/12/33/21/175123321.db2.gz HYKMMFXWTIMGSU-DLBZAZTESA-N 1 0 274.408 2.373 10 0 CEAERO CCC[NH2+][C@H]1CCOC[C@H]1N(C)Cc1ccc(OC)cc1 ZINC000043911728 175123927 /nfs/dbraw/zinc/12/39/27/175123927.db2.gz ZKCKNOPUUBZGCB-DLBZAZTESA-N 1 0 292.423 2.284 10 0 CEAERO C[NH2+][C@@H]1CC[C@H](c2ccccc2)C[C@@H]1N(C)CCOC ZINC000043915357 175124161 /nfs/dbraw/zinc/12/41/61/175124161.db2.gz YILKSEIMRJYWMF-BBWFWOEESA-N 1 0 276.424 2.489 10 0 CEAERO CC[C@@H]([C@@H]([NH2+]C)c1ccccc1)N(CCOC)CCOC ZINC000043912616 175124164 /nfs/dbraw/zinc/12/41/64/175124164.db2.gz NMMALRXACVVSDY-IRXDYDNUSA-N 1 0 294.439 2.321 10 0 CEAERO CC[NH2+][C@H]1CCCCCC[C@@H]1N(CCOC)CCOC ZINC000043912745 175124648 /nfs/dbraw/zinc/12/46/48/175124648.db2.gz LEMGIJRXHLYMLQ-HOTGVXAUSA-N 1 0 286.460 2.282 10 0 CEAERO CCCc1ccc([C@H](CN(C)CCOC)[NH2+]C)cc1 ZINC000043915494 175124819 /nfs/dbraw/zinc/12/48/19/175124819.db2.gz XZNVQGCAVOOOAE-INIZCTEOSA-N 1 0 264.413 2.478 10 0 CEAERO C[NH2+][C@H](CN(C)CCOC)c1c(C)cc(C)cc1C ZINC000043915432 175125060 /nfs/dbraw/zinc/12/50/60/175125060.db2.gz JAPYQYMGUXHMNK-OAHLLOKOSA-N 1 0 264.413 2.451 10 0 CEAERO C[NH2+][C@H](c1ccccc1)[C@H](C)N1CCOCC1(C)C ZINC000043916601 175125835 /nfs/dbraw/zinc/12/58/35/175125835.db2.gz WRMCWNCVRDCCFS-ZFWWWQNUSA-N 1 0 262.397 2.446 10 0 CEAERO C[NH2+][C@@H](CN(C)Cc1cnn(C)c1)c1ccc(C)cc1 ZINC000043967122 175128607 /nfs/dbraw/zinc/12/86/07/175128607.db2.gz LSZWLPVSVBKBCT-INIZCTEOSA-N 1 0 272.396 2.121 10 0 CEAERO CCc1ccc([C@@H](CN(CC)CCOC)[NH2+]C)cc1 ZINC000043968561 175129423 /nfs/dbraw/zinc/12/94/23/175129423.db2.gz XAORUKZRNGISBC-MRXNPFEDSA-N 1 0 264.413 2.478 10 0 CEAERO CC[NH2+][C@@H](CN(CC)CCOC)c1ccc2c(c1)OCO2 ZINC000043968649 175129609 /nfs/dbraw/zinc/12/96/09/175129609.db2.gz BVCJHDKYIUKYJE-AWEZNQCLSA-N 1 0 294.395 2.034 10 0 CEAERO CC[NH2+][C@@H](CN(CC)CCOC)c1cccc(OC)c1 ZINC000043968647 175130012 /nfs/dbraw/zinc/13/00/12/175130012.db2.gz OXOQLMQDJJHNEP-INIZCTEOSA-N 1 0 280.412 2.314 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2C[C@H]1N(CCOC)C1CC1 ZINC000043969952 175131202 /nfs/dbraw/zinc/13/12/02/175131202.db2.gz AZFXVXAOPKRTDF-IAGOWNOFSA-N 1 0 274.408 2.373 10 0 CEAERO CC[NH2+][C@H](CN(CCCOC)CCOC)c1ccccc1 ZINC000043970960 175131823 /nfs/dbraw/zinc/13/18/23/175131823.db2.gz UESLOVICTRTCAM-QGZVFWFLSA-N 1 0 294.439 2.322 10 0 CEAERO C[NH2+][C@H]1CCCCCC[C@H]1N(CCCOC)CCOC ZINC000043970881 175131967 /nfs/dbraw/zinc/13/19/67/175131967.db2.gz VHBUWDMTJVWJHX-JKSUJKDBSA-N 1 0 286.460 2.282 10 0 CEAERO CC[C@@H]1CCCN1C(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000044427012 175175421 /nfs/dbraw/zinc/17/54/21/175175421.db2.gz NNQSJDBXEAMWQA-UKRRQHHQSA-N 1 0 258.365 2.274 10 0 CEAERO COc1ccc(OC)c(C(=O)Nc2ccc(C[NH3+])cc2)c1 ZINC000044481991 175179454 /nfs/dbraw/zinc/17/94/54/175179454.db2.gz YHJBKYVTCUAEKE-UHFFFAOYSA-N 1 0 286.331 2.415 10 0 CEAERO CCN(C)C(=O)COc1ccc2c(c1)CCC[C@@H]2[NH2+]C ZINC000044745329 175241746 /nfs/dbraw/zinc/24/17/46/175241746.db2.gz HPSGHFCSNQRVMC-HNNXBMFYSA-N 1 0 276.380 2.141 10 0 CEAERO CCC[NH2+][C@@H]1CCCc2cc(OCCC(N)=O)ccc21 ZINC000044745709 175241843 /nfs/dbraw/zinc/24/18/43/175241843.db2.gz HVYXTVNNEUHXHQ-OAHLLOKOSA-N 1 0 276.380 2.318 10 0 CEAERO C[C@H]1Cc2ccccc2N1C(=O)C1(C[NH3+])CCCC1 ZINC000044761776 175246102 /nfs/dbraw/zinc/24/61/02/175246102.db2.gz JRSJIHDRAAJROU-LBPRGKRZSA-N 1 0 258.365 2.483 10 0 CEAERO CCc1cccc(C)c1NC(=O)C1(C[NH3+])CCOCC1 ZINC000044761997 175246442 /nfs/dbraw/zinc/24/64/42/175246442.db2.gz DGMFCSZQOFCINY-UHFFFAOYSA-N 1 0 276.380 2.251 10 0 CEAERO COc1ccc(CNC(=O)C2(C[NH3+])CCCCC2)cc1 ZINC000044762151 175246492 /nfs/dbraw/zinc/24/64/92/175246492.db2.gz XGZDTZJHZOFRJP-UHFFFAOYSA-N 1 0 276.380 2.221 10 0 CEAERO [NH3+]C[C@H](Cc1ccccc1)C(=O)N1CCCCCC1 ZINC000044796212 175254486 /nfs/dbraw/zinc/25/44/86/175254486.db2.gz UOJGSPBBCGCECK-HNNXBMFYSA-N 1 0 260.381 2.207 10 0 CEAERO Cc1cccnc1NC(=O)[C@@H](C[NH3+])Cc1ccccc1 ZINC000044799308 175255411 /nfs/dbraw/zinc/25/54/11/175255411.db2.gz ZOUMDUJSEKDGEQ-CQSZACIVSA-N 1 0 269.348 2.146 10 0 CEAERO Cc1ccnc(NC(=O)[C@@H](C[NH3+])Cc2ccccc2)c1 ZINC000044799408 175255426 /nfs/dbraw/zinc/25/54/26/175255426.db2.gz FDHPUHBDMICENW-CQSZACIVSA-N 1 0 269.348 2.146 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](c2nc(C3CCC(C)CC3)no2)C1 ZINC000044982931 175284053 /nfs/dbraw/zinc/28/40/53/175284053.db2.gz KZOURDLQIOCJFO-KIDURHIOSA-N 1 0 265.357 2.413 10 0 CEAERO CC[N@@H+]1CCC[C@H]([C@@H](C)NCc2cc(C)no2)C1 ZINC000044986330 175284560 /nfs/dbraw/zinc/28/45/60/175284560.db2.gz NULQHDQTXCKDAA-OLZOCXBDSA-N 1 0 251.374 2.193 10 0 CEAERO C[C@@H](CN1Cc2ccc(N)cc2C1)[NH+]1CCCCC1 ZINC000045006861 175288905 /nfs/dbraw/zinc/28/89/05/175288905.db2.gz YXNLQIJMLCDJSM-ZDUSSCGKSA-N 1 0 259.397 2.459 10 0 CEAERO COC(=O)c1ccc(NC[C@H](C)[NH+]2CCCCC2)c(N)c1 ZINC000045015604 175291194 /nfs/dbraw/zinc/29/11/94/175291194.db2.gz DMWDNYHKZVKHAQ-LBPRGKRZSA-N 1 0 291.395 2.342 10 0 CEAERO CCN(c1cccc(F)c1)[C@@](C)(C[NH3+])CCOC ZINC000045043754 175295486 /nfs/dbraw/zinc/29/54/86/175295486.db2.gz CNCVZKLTADLMDG-CQSZACIVSA-N 1 0 254.349 2.406 10 0 CEAERO CC[N@H+](CC(N)=S)Cc1ccc2ncccc2c1 ZINC000045063361 175298835 /nfs/dbraw/zinc/29/88/35/175298835.db2.gz ALKFZXIRGKGTMQ-UHFFFAOYSA-N 1 0 259.378 2.343 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1cnn(C)c1)N(C)CC(C)(C)C ZINC000045065388 175299353 /nfs/dbraw/zinc/29/93/53/175299353.db2.gz OJLAPABBRLVHKT-CHWSQXEVSA-N 1 0 252.406 2.176 10 0 CEAERO Cc1ccc(NC(=O)C[N@@H+](C)CC(C)(C)C)c(N)c1 ZINC000045065128 175299683 /nfs/dbraw/zinc/29/96/83/175299683.db2.gz YCKMIOULPUWJRM-UHFFFAOYSA-N 1 0 263.385 2.494 10 0 CEAERO CC(C)Cc1ccc([C@@H](C)[NH2+]CCCS(N)(=O)=O)cc1 ZINC000045066799 175300154 /nfs/dbraw/zinc/30/01/54/175300154.db2.gz ABBYTGVPXIUPAO-CYBMUJFWSA-N 1 0 298.452 2.214 10 0 CEAERO C[C@H](CNc1ccc(N)cc1Br)[NH+](C)C ZINC000045106106 175307472 /nfs/dbraw/zinc/30/74/72/175307472.db2.gz SNEFLMCBULJBBU-MRVPVSSYSA-N 1 0 272.190 2.393 10 0 CEAERO CC1(C)C[C@@H]1[NH2+][C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000045117275 175311788 /nfs/dbraw/zinc/31/17/88/175311788.db2.gz QIIUGLYOYIGPTF-YPMHNXCESA-N 1 0 265.378 2.293 10 0 CEAERO CC1(C)C[C@H]1[NH2+][C@H]1CC(=O)N(C2CCCCCC2)C1=O ZINC000045118816 175311938 /nfs/dbraw/zinc/31/19/38/175311938.db2.gz OBHYARIRFYRKAK-QWHCGFSZSA-N 1 0 278.396 2.225 10 0 CEAERO CC1(C)C[C@H]1[NH2+]CC(=O)Nc1c(F)cccc1F ZINC000045119520 175312150 /nfs/dbraw/zinc/31/21/50/175312150.db2.gz UNTQTFMLMMUWIZ-SNVBAGLBSA-N 1 0 254.280 2.291 10 0 CEAERO CC(C)c1ccc([C@H](O)C[NH2+]CCc2nccn2C)cc1 ZINC000045134407 175312494 /nfs/dbraw/zinc/31/24/94/175312494.db2.gz OYORAUINSDCYOK-MRXNPFEDSA-N 1 0 287.407 2.409 10 0 CEAERO CC(C)[N@@H+]1CC[C@H](Cn2c(N)nc3c2cccc3F)C1 ZINC000045136023 175313586 /nfs/dbraw/zinc/31/35/86/175313586.db2.gz JLCQRDZPBNLERP-NSHDSACASA-N 1 0 276.359 2.488 10 0 CEAERO CC1(C)C[C@@H]1NS(=O)(=O)c1ccc(C[NH2+]C2CC2)cc1 ZINC000045138394 175314704 /nfs/dbraw/zinc/31/47/04/175314704.db2.gz JIFOJUCEHUUDDL-AWEZNQCLSA-N 1 0 294.420 2.015 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CCCO2)c1C ZINC000045167757 175319430 /nfs/dbraw/zinc/31/94/30/175319430.db2.gz DUWWGBIPJDWSBO-MFKMUULPSA-N 1 0 251.374 2.349 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+][C@H]2CN3CCC2CC3)c1C ZINC000045167590 175319439 /nfs/dbraw/zinc/31/94/39/175319439.db2.gz GPTJMFPNTZGMFR-NHYWBVRUSA-N 1 0 276.428 2.265 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+][C@H](C)Cn2cccn2)c1C ZINC000045171226 175320889 /nfs/dbraw/zinc/32/08/89/175320889.db2.gz VTRJTEJVVASTRY-NEPJUHHUSA-N 1 0 275.400 2.456 10 0 CEAERO CCCNC(=O)CC[NH2+][C@H](C)c1c(C)nn(CC)c1C ZINC000045172894 175322337 /nfs/dbraw/zinc/32/23/37/175322337.db2.gz USWOYTAOELHYBF-LLVKDONJSA-N 1 0 280.416 2.087 10 0 CEAERO CCCN[C@](C)(C[NH+]1CCCCCCC1)C(=O)OC ZINC000045223679 175331338 /nfs/dbraw/zinc/33/13/38/175331338.db2.gz CIRYLPMRCHLYFV-OAHLLOKOSA-N 1 0 270.417 2.184 10 0 CEAERO CCC[NH+](CCC)CC[C@](C)(NCC)C(=O)OCC ZINC000045230478 175334716 /nfs/dbraw/zinc/33/47/16/175334716.db2.gz XRQAOYLETANXEG-HNNXBMFYSA-N 1 0 272.433 2.430 10 0 CEAERO CCN[C@@](C)(C[NH+]1[C@@H](C)CCC[C@@H]1C)C(=O)OCC ZINC000045231777 175335823 /nfs/dbraw/zinc/33/58/23/175335823.db2.gz NZKOQDJDOUUKAB-YDHLFZDLSA-N 1 0 270.417 2.181 10 0 CEAERO CCCN[C@](C)(CC[N@H+](C)[C@@H](C)CC)C(=O)OCC ZINC000045263981 175337923 /nfs/dbraw/zinc/33/79/23/175337923.db2.gz CCTPFVRYPPTVJH-DZGCQCFKSA-N 1 0 272.433 2.428 10 0 CEAERO CCCN[C@](C)(C[N@@H+]1CCCC[C@@H]1CC)C(=O)OC ZINC000045265852 175338896 /nfs/dbraw/zinc/33/88/96/175338896.db2.gz UQBYARSRSIHDSK-DZGCQCFKSA-N 1 0 270.417 2.182 10 0 CEAERO CC(C)[NH2+][C@@](C)(CC[N@H+](C)C1CCCC1)C(=O)[O-] ZINC000045266217 175339176 /nfs/dbraw/zinc/33/91/76/175339176.db2.gz RLONCHQOTKTKMJ-AWEZNQCLSA-N 1 0 256.390 2.092 10 0 CEAERO CCC[N@H+](CC)CC[C@@](C)(NC(C)C)C(=O)OCC ZINC000045267723 175340038 /nfs/dbraw/zinc/34/00/38/175340038.db2.gz JIRQJSJXUBSWSX-OAHLLOKOSA-N 1 0 272.433 2.428 10 0 CEAERO CCOC(=O)[C@@](C)(C[N@H+](CC)C1CCCC1)NC1CC1 ZINC000045269251 175340455 /nfs/dbraw/zinc/34/04/55/175340455.db2.gz GVZGEYIHLWMRKN-MRXNPFEDSA-N 1 0 282.428 2.325 10 0 CEAERO CCCN[C@](C)(C[N@H+](CC)C1CCCC1)C(=O)OC ZINC000045269227 175341074 /nfs/dbraw/zinc/34/10/74/175341074.db2.gz RHVVIJZNUFARKJ-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CCCN[C@@](C)(C[N@H+](C)C(CC)CC)C(=O)OC ZINC000045269647 175341495 /nfs/dbraw/zinc/34/14/95/175341495.db2.gz XCCAWFMPJFMFTB-AWEZNQCLSA-N 1 0 258.406 2.038 10 0 CEAERO CCC(CC)[N@H+](C)C[C@](C)(NC(C)C)C(=O)OC ZINC000045269660 175341677 /nfs/dbraw/zinc/34/16/77/175341677.db2.gz LFJNYBBMENRGLK-AWEZNQCLSA-N 1 0 258.406 2.037 10 0 CEAERO CCN[C@](C)(C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)OCC ZINC000045272083 175343022 /nfs/dbraw/zinc/34/30/22/175343022.db2.gz JKWTWFHJFLAXDL-ZMSDIMECSA-N 1 0 296.455 2.430 10 0 CEAERO CCOC(=O)[C@@](C)(CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)NC ZINC000045272147 175343256 /nfs/dbraw/zinc/34/32/56/175343256.db2.gz CIZZABMVCWQGPC-ZMSDIMECSA-N 1 0 296.455 2.430 10 0 CEAERO CCN(CC[C@@](C)([NH2+]C1CC1)C(N)=O)c1cccc(F)c1 ZINC000045275503 175345483 /nfs/dbraw/zinc/34/54/83/175345483.db2.gz STZKBDWXSPOFNT-MRXNPFEDSA-N 1 0 293.386 2.038 10 0 CEAERO CCC[N@H+](CC[C@@](C)(NCC)C(=O)OC)CC1CC1 ZINC000045276912 175346216 /nfs/dbraw/zinc/34/62/16/175346216.db2.gz UXEDMXCIJXQAOY-OAHLLOKOSA-N 1 0 270.417 2.040 10 0 CEAERO COC(=O)[C@](C)(C[N@H+](C)[C@@H]1CCC[C@@H](C)C1)NC(C)C ZINC000045276554 175346302 /nfs/dbraw/zinc/34/63/02/175346302.db2.gz FXJOIHZOWOUQDG-FMKPAKJESA-N 1 0 284.444 2.427 10 0 CEAERO CCC[NH2+][C@](C)(CC[N@H+](CCC)CC1CC1)C(=O)[O-] ZINC000045276874 175346597 /nfs/dbraw/zinc/34/65/97/175346597.db2.gz IKTNQPGCOMEGJW-OAHLLOKOSA-N 1 0 270.417 2.341 10 0 CEAERO CCOC(=O)[C@](C)(C[N@H+](CC)CC(CC)CC)NC ZINC000045277774 175347096 /nfs/dbraw/zinc/34/70/96/175347096.db2.gz DVYPOYUUTBHXLM-HNNXBMFYSA-N 1 0 272.433 2.286 10 0 CEAERO COC(=O)[C@](C)(CC[N@H+](CC(C)C)C1CC1)NC1CC1 ZINC000045277593 175347243 /nfs/dbraw/zinc/34/72/43/175347243.db2.gz LDXRULAQOMBLDU-INIZCTEOSA-N 1 0 282.428 2.181 10 0 CEAERO CC[NH2+][C@](C)(CC[N@@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000045277393 175347260 /nfs/dbraw/zinc/34/72/60/175347260.db2.gz ONEOWTULMVTXIX-GDBMZVCRSA-N 1 0 282.428 2.484 10 0 CEAERO CCCN[C@@](C)(CC[N@H+](C)[C@@H]1CCCC[C@@H]1C)C(N)=O ZINC000045279129 175349160 /nfs/dbraw/zinc/34/91/60/175349160.db2.gz WXVWVDQNBAAKCP-LZWOXQAQSA-N 1 0 283.460 2.131 10 0 CEAERO CCN[C@@](C)(C[N@H+](C)C1CCC(C)CC1)C(=O)OC ZINC000045280533 175350169 /nfs/dbraw/zinc/35/01/69/175350169.db2.gz QIJIRQHZPNCKJU-PIMMBPRGSA-N 1 0 270.417 2.038 10 0 CEAERO CCC1CC[NH+](C[C@@](C)(NC(C)C)C(=O)OC)CC1 ZINC000045281395 175351843 /nfs/dbraw/zinc/35/18/43/175351843.db2.gz OBUGZGGNWMLICY-OAHLLOKOSA-N 1 0 270.417 2.038 10 0 CEAERO CCCC[N@H+](C[C@](C)(NC)C(=O)OC)[C@@H](C)CC ZINC000045282528 175352576 /nfs/dbraw/zinc/35/25/76/175352576.db2.gz URWGXRCPNIXDAR-JSGCOSHPSA-N 1 0 258.406 2.038 10 0 CEAERO COC(=O)[C@](C)(C[N@H+](C)CC1CCCCC1)NC(C)C ZINC000045281580 175352582 /nfs/dbraw/zinc/35/25/82/175352582.db2.gz XZXDLYFGMKRJFX-INIZCTEOSA-N 1 0 284.444 2.428 10 0 CEAERO CCCN[C@@](C)(CCC[NH+](CC)CC)C(=O)OCC ZINC000045375933 175366188 /nfs/dbraw/zinc/36/61/88/175366188.db2.gz SEZOXGYWADXUOQ-HNNXBMFYSA-N 1 0 272.433 2.430 10 0 CEAERO CCOC(=O)[C@](C)(CCCC[NH+](C)C)NC(C)C ZINC000045380122 175369095 /nfs/dbraw/zinc/36/90/95/175369095.db2.gz SNUAVZOOWGGMBJ-AWEZNQCLSA-N 1 0 258.406 2.038 10 0 CEAERO CN[C@@](C)(CCC[N@H+]1[C@H](C)CCC[C@@H]1C)C(=O)OC ZINC000045379694 175369445 /nfs/dbraw/zinc/36/94/45/175369445.db2.gz RRQFHIUUKDKFQG-GUTXKFCHSA-N 1 0 270.417 2.181 10 0 CEAERO CC[N@H+](CCCC[C@](C)([NH2+]C)C(=O)[O-])CC(C)C ZINC000045381632 175370359 /nfs/dbraw/zinc/37/03/59/175370359.db2.gz JOHZMIPURMUAAX-AWEZNQCLSA-N 1 0 258.406 2.197 10 0 CEAERO CC[NH2+][C@@](C)(CCCC[N@H+](CC)C(C)C)C(=O)[O-] ZINC000045383595 175370796 /nfs/dbraw/zinc/37/07/96/175370796.db2.gz LHDJVFMBJGYYMI-AWEZNQCLSA-N 1 0 258.406 2.340 10 0 CEAERO CCC[N@H+](CCC[C@](C)([NH2+]C1CC1)C(=O)[O-])C(C)C ZINC000045385952 175372452 /nfs/dbraw/zinc/37/24/52/175372452.db2.gz XYXCOCYLMJBIDA-HNNXBMFYSA-N 1 0 270.417 2.482 10 0 CEAERO CCCCC[N@H+](C)CCC[C@](C)([NH2+]CC)C(=O)[O-] ZINC000045388053 175374267 /nfs/dbraw/zinc/37/42/67/175374267.db2.gz BPSVFZHKCHHRQA-AWEZNQCLSA-N 1 0 258.406 2.341 10 0 CEAERO CCCN[C@H](C[NH+](CC(C)C)CC(C)C)C(=O)OC ZINC000045420368 175378418 /nfs/dbraw/zinc/37/84/18/175378418.db2.gz MLROPXGQNKASNV-CQSZACIVSA-N 1 0 272.433 2.142 10 0 CEAERO CCCN[C@H](C[N@H+](C)[C@@H](C)C(C)(C)C)C(=O)OCC ZINC000045420956 175379575 /nfs/dbraw/zinc/37/95/75/175379575.db2.gz RJUMUMURLDZIRR-QWHCGFSZSA-N 1 0 272.433 2.284 10 0 CEAERO CCOC(=O)[C@H](C[N@H+](C)[C@@H](C)C(C)(C)C)NC(C)C ZINC000045420962 175379720 /nfs/dbraw/zinc/37/97/20/175379720.db2.gz KIPYVNQUKFCFTL-STQMWFEESA-N 1 0 272.433 2.283 10 0 CEAERO CCCC[N@H+](CCC[C@](C)([NH2+]CC)C(=O)[O-])C1CC1 ZINC000045421753 175380415 /nfs/dbraw/zinc/38/04/15/175380415.db2.gz NEFAMMSGHHRTNQ-HNNXBMFYSA-N 1 0 270.417 2.484 10 0 CEAERO CCc1ccc([C@@H](C)[NH2+]C[C@H]2CC(=O)N(C)C2)s1 ZINC000658243470 415278078 /nfs/dbraw/zinc/27/80/78/415278078.db2.gz DKKJLLXYZKFSBP-GHMZBOCLSA-N 1 0 266.410 2.439 10 0 CEAERO CCOc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000658243452 415279024 /nfs/dbraw/zinc/27/90/24/415279024.db2.gz DHTATUWMPGEVGK-OLZOCXBDSA-N 1 0 276.380 2.214 10 0 CEAERO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1ccc2c(c1)CCC2 ZINC000658246459 415282970 /nfs/dbraw/zinc/28/29/70/415282970.db2.gz ZYMULRCWWBSOHC-OLZOCXBDSA-N 1 0 272.392 2.304 10 0 CEAERO COc1cccnc1-c1ccc(F)c2c1O[C@H](C[NH3+])C2 ZINC000067821264 175795151 /nfs/dbraw/zinc/79/51/51/175795151.db2.gz DKFUALGYAQPHTG-VIFPVBQESA-N 1 0 274.295 2.159 10 0 CEAERO C[C@H]1C[C@H](CNC(=O)[C@H]2CCC[NH2+]C2)C[C@@H](C)C1 ZINC000659342899 415531052 /nfs/dbraw/zinc/53/10/52/415531052.db2.gz LOJHFHGBINBIBQ-DGAVXFQQSA-N 1 0 252.402 2.175 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000659359631 415537818 /nfs/dbraw/zinc/53/78/18/415537818.db2.gz VZUSCLYYFHXWFD-PSASIEDQSA-N 1 0 287.190 2.465 10 0 CEAERO CC1CC(C(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])C1 ZINC000659377918 415547675 /nfs/dbraw/zinc/54/76/75/415547675.db2.gz ZQKKZIDQAKYHDP-FKZOYECMSA-N 1 0 252.402 2.399 10 0 CEAERO CC[C@]1(C)C[C@](C[NH3+])(N(C)Cc2cscn2)CCO1 ZINC000070365289 175894035 /nfs/dbraw/zinc/89/40/35/175894035.db2.gz OCJMQXZYFCBVCX-ZIAGYGMSSA-N 1 0 283.441 2.252 10 0 CEAERO CC(C)[C@@H]1C[C@](CN)([N@H+](C)C[C@@H]2C[C@@H]2C)CCO1 ZINC000070366716 175896748 /nfs/dbraw/zinc/89/67/48/175896748.db2.gz PKDRRSDKMQQNCN-ZQDZILKHSA-N 1 0 254.418 2.107 10 0 CEAERO C[NH2+][C@@H](c1ccccc1OC)c1cc(C)cnc1N ZINC000070404417 175912356 /nfs/dbraw/zinc/91/23/56/175912356.db2.gz JKIOQHUOPJWKBI-AWEZNQCLSA-N 1 0 257.337 2.290 10 0 CEAERO Nc1ncccc1C[C@H]([NH3+])c1ccc2ccccc2n1 ZINC000070407586 175913507 /nfs/dbraw/zinc/91/35/07/175913507.db2.gz PKFWXKHAXGSSHQ-ZDUSSCGKSA-N 1 0 264.332 2.455 10 0 CEAERO c1cc(-c2noc([C@@H]3CCCN3C3CC[NH2+]CC3)n2)co1 ZINC000070414088 175915074 /nfs/dbraw/zinc/91/50/74/175915074.db2.gz LWKJTHXBAPORFF-ZDUSSCGKSA-N 1 0 288.351 2.219 10 0 CEAERO CC(C)c1cc(N2CC[C@H]([NH3+])C2)nc(-c2ccncc2)n1 ZINC000070455873 175940347 /nfs/dbraw/zinc/94/03/47/175940347.db2.gz IFHBVDXJIYVZJV-ZDUSSCGKSA-N 1 0 283.379 2.199 10 0 CEAERO [NH3+]C1CCN(C[C@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000070459727 175942129 /nfs/dbraw/zinc/94/21/29/175942129.db2.gz FAUNZQJOOLDENE-ZDUSSCGKSA-N 1 0 288.313 2.162 10 0 CEAERO Cc1cc(C)c(C(N)=[NH2+])c(-n2cc(C(F)(F)F)cn2)n1 ZINC000070466747 175946647 /nfs/dbraw/zinc/94/66/47/175946647.db2.gz HDUQJKRWVBZCHN-UHFFFAOYSA-N 1 0 283.257 2.187 10 0 CEAERO CC[NH2+]CCCOc1cncc(Br)c1 ZINC000070487259 175954632 /nfs/dbraw/zinc/95/46/32/175954632.db2.gz XGRSWGLELJXQEH-UHFFFAOYSA-N 1 0 259.147 2.223 10 0 CEAERO C[C@@H]1CCC[C@@H]([N@H+](C)C[C@@](N)(CO)c2ccccc2)C1 ZINC000070514203 175962776 /nfs/dbraw/zinc/96/27/76/175962776.db2.gz ITJYDGKESDPSHC-DJIMGWMZSA-N 1 0 276.424 2.343 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)C[C@H](C)Oc1ccccc1CO ZINC000070516385 175965639 /nfs/dbraw/zinc/96/56/39/175965639.db2.gz UEWXJHLRGVFOOZ-BBRMVZONSA-N 1 0 281.396 2.085 10 0 CEAERO COc1ccc(OCC[C@@](C)([NH3+])CO)c(C(C)(C)C)c1 ZINC000070518010 175965879 /nfs/dbraw/zinc/96/58/79/175965879.db2.gz YKAMYXIXRHLLKQ-MRXNPFEDSA-N 1 0 281.396 2.471 10 0 CEAERO C[C@@H](C[C@](C)(CO)[NH2+]C1CC1)OCCOc1ccccc1 ZINC000070517527 175966068 /nfs/dbraw/zinc/96/60/68/175966068.db2.gz DDCXWPSRVTZNQK-WMLDXEAASA-N 1 0 293.407 2.364 10 0 CEAERO C[C@H]1COc2ccc(C(=O)[C@H]3CCC[NH2+]C3)cc2OC1 ZINC000070522208 175967573 /nfs/dbraw/zinc/96/75/73/175967573.db2.gz YOJGWZHNHOIEDR-AAEUAGOBSA-N 1 0 275.348 2.276 10 0 CEAERO [NH3+]CCc1ccccc1C(=O)Nc1cccc(O)c1 ZINC000070542026 175977840 /nfs/dbraw/zinc/97/78/40/175977840.db2.gz NKYSVTBIDKDGCM-UHFFFAOYSA-N 1 0 256.305 2.146 10 0 CEAERO [NH3+][C@H]1CCC[C@H](C(=O)Nc2c(F)cccc2F)C1 ZINC000070574098 175989463 /nfs/dbraw/zinc/98/94/63/175989463.db2.gz CDQPVPCEQUNHIY-IUCAKERBSA-N 1 0 254.280 2.421 10 0 CEAERO C[NH2+]CCC[C@@H](C)n1cc(I)cn1 ZINC000070678902 176001151 /nfs/dbraw/zinc/00/11/51/176001151.db2.gz DIWMOHXXKUSVQB-MRVPVSSYSA-N 1 0 293.152 2.048 10 0 CEAERO C[NH2+]Cc1ccnn1Cc1ccc(Br)s1 ZINC000070708826 176002293 /nfs/dbraw/zinc/00/22/93/176002293.db2.gz UUAFBBARPFJWDZ-UHFFFAOYSA-N 1 0 286.198 2.475 10 0 CEAERO [NH3+]Cc1ccnn1Cc1ccc(Br)cc1 ZINC000070708227 176002528 /nfs/dbraw/zinc/00/25/28/176002528.db2.gz AVZGNYZXDYCRBO-UHFFFAOYSA-N 1 0 266.142 2.153 10 0 CEAERO CC[C@@H]([NH2+]C1CCS(=O)CC1)c1nccs1 ZINC000070717299 176003491 /nfs/dbraw/zinc/00/34/91/176003491.db2.gz AARYZBVFLPTYCO-IAZHFHGHSA-N 1 0 258.412 2.095 10 0 CEAERO CCCN(CC(=O)OCC)C[C@H](C[NH3+])c1ccccc1 ZINC000070941172 176015276 /nfs/dbraw/zinc/01/52/76/176015276.db2.gz CAHXZGNXKRWYKZ-HNNXBMFYSA-N 1 0 278.396 2.004 10 0 CEAERO Cc1ccc(C)c([C@@H]2[C@@H]([NH3+])CCC(=O)N2C2CC2)c1 ZINC000070987401 176018684 /nfs/dbraw/zinc/01/86/84/176018684.db2.gz UIWZTHKPVRNHMH-GOEBONIOSA-N 1 0 258.365 2.457 10 0 CEAERO C[C@@H](Cc1ccc(F)cc1)N1CCC[C@@H]([NH2+]C2CC2)C1=O ZINC000071031283 176022646 /nfs/dbraw/zinc/02/26/46/176022646.db2.gz UKNASYAVVSVZCC-BLLLJJGKSA-N 1 0 290.382 2.500 10 0 CEAERO CC(C)[NH2+][C@H]1CCN([C@H](C)c2ccccc2F)C1=O ZINC000071031899 176023152 /nfs/dbraw/zinc/02/31/52/176023152.db2.gz FVADECIEARLDIV-RISCZKNCSA-N 1 0 264.344 2.486 10 0 CEAERO CCC[NH2+][C@@H]1CCCN(CCc2cccs2)C1=O ZINC000071033444 176023652 /nfs/dbraw/zinc/02/36/52/176023652.db2.gz WBQROAWTSNQYHO-CYBMUJFWSA-N 1 0 266.410 2.281 10 0 CEAERO CC(C)[NH2+][C@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000071032939 176023859 /nfs/dbraw/zinc/02/38/59/176023859.db2.gz UWSZRBGDOJKKQU-LBPRGKRZSA-N 1 0 254.280 2.068 10 0 CEAERO Cc1ccc([C@@H](C)N2CCC[C@@H]([NH2+]C3CC3)C2=O)o1 ZINC000071033758 176024099 /nfs/dbraw/zinc/02/40/99/176024099.db2.gz CDOHXRJJLJTOQT-DGCLKSJQSA-N 1 0 262.353 2.392 10 0 CEAERO CC[NH2+][C@@H]1CCCN(CCc2ccc(Cl)cc2)C1=O ZINC000071034438 176024719 /nfs/dbraw/zinc/02/47/19/176024719.db2.gz IOMGAOHMCQPDEL-CQSZACIVSA-N 1 0 280.799 2.483 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCN1c1ccccc1OC(F)F ZINC000071039477 176027177 /nfs/dbraw/zinc/02/71/77/176027177.db2.gz FQWNCBBSVZJWSX-SNVBAGLBSA-N 1 0 282.290 2.145 10 0 CEAERO Cc1cc(N2CC[C@H]([NH2+]C(C)C)C2=O)ccc1F ZINC000071042680 176028468 /nfs/dbraw/zinc/02/84/68/176028468.db2.gz QCDLRBHHMFKOHJ-ZDUSSCGKSA-N 1 0 250.317 2.237 10 0 CEAERO CC(C)[NH2+][C@H]1CCN([C@@H](C)c2ccsc2)C1=O ZINC000071042801 176029110 /nfs/dbraw/zinc/02/91/10/176029110.db2.gz ZOTQWIZBJQTYJV-JQWIXIFHSA-N 1 0 252.383 2.408 10 0 CEAERO CCC[NH2+][C@H]1CCCN([C@@H]2COc3ccccc32)C1=O ZINC000071044262 176029781 /nfs/dbraw/zinc/02/97/81/176029781.db2.gz MRROBGNPXLXRJZ-UONOGXRCSA-N 1 0 274.364 2.111 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN([C@@H](C)Cc2cccs2)C1=O ZINC000071043792 176029882 /nfs/dbraw/zinc/02/98/82/176029882.db2.gz UGBYAVDWRTVHHV-WCQYABFASA-N 1 0 266.410 2.278 10 0 CEAERO CC(C)[C@H](CN(C)C)[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000071090881 176031312 /nfs/dbraw/zinc/03/13/12/176031312.db2.gz ALVYUAKJBFKMSL-IRXDYDNUSA-N 1 0 276.424 2.476 10 0 CEAERO CC[NH2+]Cc1cnn(C[C@H]2OCCc3ccccc32)c1 ZINC000071098951 176032704 /nfs/dbraw/zinc/03/27/04/176032704.db2.gz MZLCLPZIYWOWSO-MRXNPFEDSA-N 1 0 271.364 2.307 10 0 CEAERO C[C@H]([NH3+])c1cnn(C[C@H]2OCCc3ccccc32)c1 ZINC000071098913 176032743 /nfs/dbraw/zinc/03/27/43/176032743.db2.gz XAEYXLORXWFBGP-XHDPSFHLSA-N 1 0 257.337 2.217 10 0 CEAERO CC[C@H]1CCC[C@H]([NH2+][C@@H](C)CN2CCOCC2)C1 ZINC000071108536 176033781 /nfs/dbraw/zinc/03/37/81/176033781.db2.gz NOEZOLVFRXIHSA-KKUMJFAQSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@@H]1CCC[C@@](C[NH3+])(N(C)Cc2cnn(C)c2)C1 ZINC000071123869 176034933 /nfs/dbraw/zinc/03/49/33/176034933.db2.gz AOMDKCXZKWZDIT-UKRRQHHQSA-N 1 0 264.417 2.150 10 0 CEAERO CC[C@H]1CCC[C@@H](OCCC(=O)N(C)CCC[NH3+])C1 ZINC000071130857 176036005 /nfs/dbraw/zinc/03/60/05/176036005.db2.gz ZTVJKXRDYMOIDE-UONOGXRCSA-N 1 0 270.417 2.169 10 0 CEAERO CN(CCN1CC[NH2+]CC1)c1ccccc1C(F)(F)F ZINC000071151082 176044918 /nfs/dbraw/zinc/04/49/18/176044918.db2.gz ZQUDJUFSVCOLJI-UHFFFAOYSA-N 1 0 287.329 2.047 10 0 CEAERO CC[NH2+][C@H](CS(C)(=O)=O)[C@@H]1CCC[C@@H](CC)C1 ZINC000071156318 176045780 /nfs/dbraw/zinc/04/57/80/176045780.db2.gz CXUPBCIFRUEGEK-JHJVBQTASA-N 1 0 261.431 2.226 10 0 CEAERO CC[C@@H]1CCCC[C@@]1(CN)[N@H+](C)C1CCOCC1 ZINC000071161683 176046185 /nfs/dbraw/zinc/04/61/85/176046185.db2.gz FGZNLRHKZCDTSK-HIFRSBDPSA-N 1 0 254.418 2.395 10 0 CEAERO CCOC(=O)[C@]1(N2CCC[NH2+]CC2)CCCC[C@H]1CC ZINC000071162684 176046448 /nfs/dbraw/zinc/04/64/48/176046448.db2.gz UKSLZGMGHSDCCG-ZBFHGGJFSA-N 1 0 282.428 2.184 10 0 CEAERO CCCOc1cncc(N[C@@H]2CC[NH2+]C3(CCC3)C2)n1 ZINC000071175938 176054418 /nfs/dbraw/zinc/05/44/18/176054418.db2.gz VWDDMACSSOUMJX-GFCCVEGCSA-N 1 0 276.384 2.352 10 0 CEAERO CC(C)Oc1cncc(N(CC[NH3+])C2CCCCC2)n1 ZINC000071177407 176055316 /nfs/dbraw/zinc/05/53/16/176055316.db2.gz RDRHEYNBYCXCNT-UHFFFAOYSA-N 1 0 278.400 2.362 10 0 CEAERO [NH3+]Cc1cnc(N(Cc2cccs2)C2CC2)cn1 ZINC000071177927 176055529 /nfs/dbraw/zinc/05/55/29/176055529.db2.gz PHBJPENTIZBGTD-UHFFFAOYSA-N 1 0 260.366 2.166 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccc(O[C@H]2CCN(C)C2=O)c(Cl)c1 ZINC000071184858 176059809 /nfs/dbraw/zinc/05/98/09/176059809.db2.gz FGPOGPFSMYBGLS-RISCZKNCSA-N 1 0 296.798 2.229 10 0 CEAERO CN(C[C@@H]1CC[N@H+](C)C1)c1ccc2ncccc2c1N ZINC000071188537 176062975 /nfs/dbraw/zinc/06/29/75/176062975.db2.gz DKOHZUDGYDVJBY-GFCCVEGCSA-N 1 0 270.380 2.205 10 0 CEAERO C[C@@H](O)c1ccc(N(C)C[C@@H]2CC[N@H+](C)C2)c(F)c1 ZINC000071189660 176065660 /nfs/dbraw/zinc/06/56/60/176065660.db2.gz NPVPKRNNRBFQHN-VXGBXAGGSA-N 1 0 266.360 2.267 10 0 CEAERO C[N@@H+](Cc1cccc(/C=C/C(=O)[O-])c1)C[C@@H]1CC[NH+](C)C1 ZINC000071190548 176066149 /nfs/dbraw/zinc/06/61/49/176066149.db2.gz NIQMVXGXTWXJGK-FYCOFBDGSA-N 1 0 288.391 2.168 10 0 CEAERO CN(C[C@@H]1CC[N@H+](C)C1)c1nc(CO)cc2ccccc21 ZINC000071190294 176066383 /nfs/dbraw/zinc/06/63/83/176066383.db2.gz QUQTYMHLJDXPJR-CYBMUJFWSA-N 1 0 285.391 2.115 10 0 CEAERO Cc1ccc(C)c([C@H](O)CN(C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000071190679 176067911 /nfs/dbraw/zinc/06/79/11/176067911.db2.gz SHSXWRGXQXKVFW-NVXWUHKLSA-N 1 0 276.424 2.220 10 0 CEAERO Fc1ccc(CN2CC[C@@H]([NH2+]C3CC3)C2)c(F)c1 ZINC000071199423 176077098 /nfs/dbraw/zinc/07/70/98/176077098.db2.gz GKGSBKXPQZXLOE-CYBMUJFWSA-N 1 0 252.308 2.291 10 0 CEAERO COc1cc(OC)c([C@H]2C[NH2+][C@@H](C)C2)cc1OC ZINC000071202225 176078327 /nfs/dbraw/zinc/07/83/27/176078327.db2.gz FZTJCURNYBPEDY-VHSXEESVSA-N 1 0 251.326 2.178 10 0 CEAERO CCC[C@]1(C(=O)N[C@@H]2CCC[C@@H]2C)CCC[NH2+]C1 ZINC000071209045 176081807 /nfs/dbraw/zinc/08/18/07/176081807.db2.gz CGFOUHMKQXMJKD-GUTXKFCHSA-N 1 0 252.402 2.461 10 0 CEAERO CC[NH2+][C@@H](CC)Cn1cc(C(F)(F)F)ccc1=O ZINC000071211954 176083974 /nfs/dbraw/zinc/08/39/74/176083974.db2.gz GQPOZCQKZVCYKL-JTQLQIEISA-N 1 0 262.275 2.255 10 0 CEAERO CCC[C@]1(CNCc2scnc2C)CC[NH2+]C1 ZINC000071213777 176085172 /nfs/dbraw/zinc/08/51/72/176085172.db2.gz COWIKKQXPRICND-ZDUSSCGKSA-N 1 0 253.415 2.321 10 0 CEAERO Cc1ncsc1C[NH2+]C[C@H]1Cc2ccccc2CN1 ZINC000071213741 176085231 /nfs/dbraw/zinc/08/52/31/176085231.db2.gz LPMGIGKVDFQJAJ-CQSZACIVSA-N 1 0 273.405 2.256 10 0 CEAERO COCC[N@H+](CCC(N)=S)Cc1ccc(Cl)cc1 ZINC000071226211 176089739 /nfs/dbraw/zinc/08/97/39/176089739.db2.gz UFFHYZTZENOWTC-UHFFFAOYSA-N 1 0 286.828 2.465 10 0 CEAERO CCOC(=O)CCCCC[NH2+]C[C@H]1CCCCN1C ZINC000071293935 176111447 /nfs/dbraw/zinc/11/14/47/176111447.db2.gz AAVRCWMOEMSJKX-CQSZACIVSA-N 1 0 270.417 2.184 10 0 CEAERO COc1ccc(CNC2=[NH+]C[C@@H](C3CC3)S2)cn1 ZINC000071308121 176116351 /nfs/dbraw/zinc/11/63/51/176116351.db2.gz MWCAJKCZNGPISN-NSHDSACASA-N 1 0 263.366 2.061 10 0 CEAERO CCN([C@@H](C)c1ccc(OC)c(OC)c1)[C@@H]1CC[NH2+]C1 ZINC000071312029 176118644 /nfs/dbraw/zinc/11/86/44/176118644.db2.gz JKXQHCDASXUSKP-GXTWGEPZSA-N 1 0 278.396 2.449 10 0 CEAERO CCN(C(=O)c1cc(C)nc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000071312550 176119183 /nfs/dbraw/zinc/11/91/83/176119183.db2.gz QURZUOOINROPKD-CYBMUJFWSA-N 1 0 283.375 2.367 10 0 CEAERO CCCN(c1nncc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000071332854 176125881 /nfs/dbraw/zinc/12/58/81/176125881.db2.gz KZYHNBKMLHYENT-CYBMUJFWSA-N 1 0 256.353 2.208 10 0 CEAERO CC(C)OCCC[NH2+]C1CN(C(=O)OC(C)(C)C)C1 ZINC000071335448 176126926 /nfs/dbraw/zinc/12/69/26/176126926.db2.gz NSRKUDBTUXFGGN-UHFFFAOYSA-N 1 0 272.389 2.010 10 0 CEAERO C[C@H]1CCC[NH2+][C@@H]1CNC(=O)c1cc(F)ccc1F ZINC000071338689 176128923 /nfs/dbraw/zinc/12/89/23/176128923.db2.gz SBGGVPFPCGASHC-TVQRCGJNSA-N 1 0 268.307 2.083 10 0 CEAERO Cc1ccc(F)c(C(=O)NC[C@H]2[NH2+]CCC[C@@H]2C)c1 ZINC000071338822 176128945 /nfs/dbraw/zinc/12/89/45/176128945.db2.gz FXZIEEWHXODINJ-SMDDNHRTSA-N 1 0 264.344 2.252 10 0 CEAERO CC(C)C[C@H]1CN(Cc2ncccn2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000071352293 176135155 /nfs/dbraw/zinc/13/51/55/176135155.db2.gz MWSWRIHIBURACJ-DOTOQJQBSA-N 1 0 288.439 2.465 10 0 CEAERO CC(C)C[C@@H]1CN(Cc2cnn(C)c2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000071352380 176135236 /nfs/dbraw/zinc/13/52/36/176135236.db2.gz PMDGVJUVQRPATD-IAGOWNOFSA-N 1 0 290.455 2.409 10 0 CEAERO C[C@H]1C[NH2+][C@H](Cc2ccccc2)CN1Cc1ccncc1 ZINC000071352645 176135362 /nfs/dbraw/zinc/13/53/62/176135362.db2.gz PSQJQDCZVUHPKS-MAUKXSAKSA-N 1 0 281.403 2.487 10 0 CEAERO COCCN1C[C@H](Cc2ccccc2)[NH2+]CC12CCCC2 ZINC000071353431 176136086 /nfs/dbraw/zinc/13/60/86/176136086.db2.gz XNVJSFJMPYNTSK-KRWDZBQOSA-N 1 0 288.435 2.462 10 0 CEAERO CC[C@H](C)[C@H]1CN(CCOC)C2(CCCC2)C[NH2+]1 ZINC000071356193 176136879 /nfs/dbraw/zinc/13/68/79/176136879.db2.gz QPSFUJFOUUCYLX-UONOGXRCSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@H](C)[C@@H]1C[NH2+][C@@](C)(CC)CN1Cc1ncccn1 ZINC000071357089 176136972 /nfs/dbraw/zinc/13/69/72/176136972.db2.gz RDLLBOBBYFECJM-DZKIICNBSA-N 1 0 276.428 2.465 10 0 CEAERO CC[C@]1(C)CN(CCOC)[C@H](c2ccccc2)C[NH2+]1 ZINC000071357484 176137893 /nfs/dbraw/zinc/13/78/93/176137893.db2.gz VTEJCNLJFISCRR-JKSUJKDBSA-N 1 0 262.397 2.448 10 0 CEAERO CCn1c(C[NH3+])nnc1SCc1ccc(C)cc1 ZINC000071374660 176139546 /nfs/dbraw/zinc/13/95/46/176139546.db2.gz LAAUYUCUAQSFBI-UHFFFAOYSA-N 1 0 262.382 2.357 10 0 CEAERO CCn1c(C[NH3+])nnc1SCc1cccc(F)c1 ZINC000071374654 176139884 /nfs/dbraw/zinc/13/98/84/176139884.db2.gz VONFFMVHDCXGPG-UHFFFAOYSA-N 1 0 266.345 2.188 10 0 CEAERO Cc1ncc(CSc2nnc(C[NH3+])n2C(C)C)s1 ZINC000071374542 176140075 /nfs/dbraw/zinc/14/00/75/176140075.db2.gz NEBPLDFYIULNBQ-UHFFFAOYSA-N 1 0 283.426 2.375 10 0 CEAERO Cc1ccc(N)c(C(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC000071383412 176146658 /nfs/dbraw/zinc/14/66/58/176146658.db2.gz NWBQGBOQYYKBPD-INIZCTEOSA-N 1 0 289.423 2.427 10 0 CEAERO Nc1ccc(C(=O)NC2CC[NH+](C3CC3)CC2)cc1Cl ZINC000071395864 176149778 /nfs/dbraw/zinc/14/97/78/176149778.db2.gz OQGDQKIKMXPCEL-UHFFFAOYSA-N 1 0 293.798 2.279 10 0 CEAERO COc1cccc(OC)c1-c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000071396504 176150237 /nfs/dbraw/zinc/15/02/37/176150237.db2.gz VWQMSSILVFYALK-VIFPVBQESA-N 1 0 275.308 2.178 10 0 CEAERO CC(C)n1cc(Cl)cc1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000071396966 176150448 /nfs/dbraw/zinc/15/04/48/176150448.db2.gz MRMBOVBLQJJQMW-LLVKDONJSA-N 1 0 269.776 2.204 10 0 CEAERO Cc1ccc(CNC(=O)CC[C@@H]([NH3+])c2ccccc2)n1C ZINC000071400590 176152672 /nfs/dbraw/zinc/15/26/72/176152672.db2.gz VLIRDUPSPNNJLC-MRXNPFEDSA-N 1 0 285.391 2.430 10 0 CEAERO CC[C@H]([NH3+])Cc1cc(C)ccc1OCc1ncon1 ZINC000071412083 176157483 /nfs/dbraw/zinc/15/74/83/176157483.db2.gz FAYZOHBIHWHDQB-LBPRGKRZSA-N 1 0 261.325 2.237 10 0 CEAERO CC[C@H]([NH3+])Cc1cc(C)ccc1OCC(=O)N(C)CC ZINC000071412069 176157565 /nfs/dbraw/zinc/15/75/65/176157565.db2.gz OJLQFEHZYCRWTM-AWEZNQCLSA-N 1 0 278.396 2.132 10 0 CEAERO CCCNC(=O)COc1ccc(C)cc1C[C@H]([NH3+])CC ZINC000071412296 176157659 /nfs/dbraw/zinc/15/76/59/176157659.db2.gz VHJGMWRPAXXUPU-CQSZACIVSA-N 1 0 278.396 2.180 10 0 CEAERO COc1cc([C@@H](CO)[NH2+]C(C)C)c(OC)cc1C ZINC000071574797 176202036 /nfs/dbraw/zinc/20/20/36/176202036.db2.gz SPQXTBMSCVOXCN-GFCCVEGCSA-N 1 0 253.342 2.044 10 0 CEAERO COc1ccc(Cl)cc1C[C@@H]1C[NH2+]CCC1=O ZINC000071575085 176202340 /nfs/dbraw/zinc/20/23/40/176202340.db2.gz QBRYGHVINXTWJY-SNVBAGLBSA-N 1 0 253.729 2.070 10 0 CEAERO [NH3+]CCc1[nH]cnc1-c1ccc(Br)s1 ZINC000071611485 176231802 /nfs/dbraw/zinc/23/18/02/176231802.db2.gz OZNSVQOAVFQJSF-UHFFFAOYSA-N 1 0 272.171 2.402 10 0 CEAERO O=S(=O)(CC1CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000071613758 176233222 /nfs/dbraw/zinc/23/32/22/176233222.db2.gz OAGLBZIZRAPXOX-UHFFFAOYSA-N 1 0 273.785 2.113 10 0 CEAERO CC(C)Cc1ccc([C@H](CO)N2CCC[NH2+]CC2)cc1 ZINC000071627324 176235705 /nfs/dbraw/zinc/23/57/05/176235705.db2.gz DMNRTMFHISTVOS-KRWDZBQOSA-N 1 0 276.424 2.214 10 0 CEAERO Cc1sc2ncnc(N(C)CC(C)(C)[NH3+])c2c1C ZINC000656608806 415784665 /nfs/dbraw/zinc/78/46/65/415784665.db2.gz IVGYWSHFDPJZQO-UHFFFAOYSA-N 1 0 264.398 2.482 10 0 CEAERO Cc1nccnc1N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656608627 415784989 /nfs/dbraw/zinc/78/49/89/415784989.db2.gz GSJZLNLJBGFFEJ-CQSZACIVSA-N 1 0 260.385 2.001 10 0 CEAERO Clc1cncnc1N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656609202 415785242 /nfs/dbraw/zinc/78/52/42/415785242.db2.gz RCRRVLLKOZJVGV-GFCCVEGCSA-N 1 0 280.803 2.346 10 0 CEAERO CCS(=O)(=O)c1ccccc1NCC1([NH3+])CCCC1 ZINC000656610427 415787480 /nfs/dbraw/zinc/78/74/80/415787480.db2.gz FQULXWHBGLDYSE-UHFFFAOYSA-N 1 0 282.409 2.164 10 0 CEAERO CC[C@H]([NH2+]C)C(=O)N[C@@H](C)c1ccc(F)cc1F ZINC000662345556 415793927 /nfs/dbraw/zinc/79/39/27/415793927.db2.gz JJSBZOHEWJVNLB-UFBFGSQYSA-N 1 0 256.296 2.140 10 0 CEAERO CCc1nc(Cl)nc(N[C@@H]2CCC[NH2+]C2)c1C ZINC000073735118 176489394 /nfs/dbraw/zinc/48/93/94/176489394.db2.gz LCAQKQXGTKEVAI-SECBINFHSA-N 1 0 254.765 2.165 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)N1CCC[C@@H](C2CCC2)C1 ZINC000662716543 415941293 /nfs/dbraw/zinc/94/12/93/415941293.db2.gz UVZNDTBOZVPSOB-UKRRQHHQSA-N 1 0 264.413 2.415 10 0 CEAERO CCS(=O)(=O)C[C@H]([NH3+])c1ccc2ccccc2c1 ZINC000075417216 176697392 /nfs/dbraw/zinc/69/73/92/176697392.db2.gz GQHXSTCPXVIOKR-AWEZNQCLSA-N 1 0 263.362 2.274 10 0 CEAERO C[NH2+]CCC(=O)N[C@H](C)c1cc(C)n(C(C)C)c1C ZINC000076372859 177009145 /nfs/dbraw/zinc/00/91/45/177009145.db2.gz HXUSOYWXQAZOTQ-GFCCVEGCSA-N 1 0 265.401 2.473 10 0 CEAERO C[NH2+]CCN(C)Cc1cc(Br)ccc1C ZINC000076409599 177020029 /nfs/dbraw/zinc/02/00/29/177020029.db2.gz KONFJWJPKMMHKB-UHFFFAOYSA-N 1 0 271.202 2.409 10 0 CEAERO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)C[NH3+] ZINC000076663502 177050235 /nfs/dbraw/zinc/05/02/35/177050235.db2.gz NOGLFNVWRYDWHH-MRVPVSSYSA-N 1 0 256.733 2.272 10 0 CEAERO Cc1ccc(C)c([C@@H](CCC[NH3+])C(=O)NC2CC2)c1 ZINC000076671107 177053611 /nfs/dbraw/zinc/05/36/11/177053611.db2.gz CTQZMMKOZVZPPE-CQSZACIVSA-N 1 0 260.381 2.405 10 0 CEAERO COc1cc(C)ccc1OC[C@@H](C[NH3+])c1cc[nH]c1 ZINC000076670758 177053617 /nfs/dbraw/zinc/05/36/17/177053617.db2.gz WWDDYQJBIVRUSV-CYBMUJFWSA-N 1 0 260.337 2.453 10 0 CEAERO CC(=O)c1cccc(NC(=O)[C@@H](CC[NH3+])C(C)C)c1 ZINC000076674768 177055451 /nfs/dbraw/zinc/05/54/51/177055451.db2.gz TWMJJQDQSNFKMQ-AWEZNQCLSA-N 1 0 262.353 2.449 10 0 CEAERO CC(=O)c1cccc(NC(=O)C[C@H](C[NH3+])C(C)C)c1 ZINC000076674801 177055503 /nfs/dbraw/zinc/05/55/03/177055503.db2.gz CBXLYPXRNIYGHT-CYBMUJFWSA-N 1 0 262.353 2.449 10 0 CEAERO Cc1cc(Br)cn2cc([C@@H](C)[NH3+])nc12 ZINC000076792137 177097315 /nfs/dbraw/zinc/09/73/15/177097315.db2.gz BCXLTUJMVKOAPV-SSDOTTSWSA-N 1 0 254.131 2.425 10 0 CEAERO Cc1nc2sccn2c1C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000077204580 177232889 /nfs/dbraw/zinc/23/28/89/177232889.db2.gz CFMCRQSJWFRQSE-AAEUAGOBSA-N 1 0 279.409 2.345 10 0 CEAERO CC[C@@H]1CC[C@H]([NH2+]CCc2nnc3ccccn32)C1 ZINC000078005310 177316768 /nfs/dbraw/zinc/31/67/68/177316768.db2.gz SEMQTNAJGIBDIB-OLZOCXBDSA-N 1 0 258.369 2.440 10 0 CEAERO C[C@@H]([NH2+]C[C@@H](O)CO)c1ccc(-c2ccccc2)cc1 ZINC000078430040 177340703 /nfs/dbraw/zinc/34/07/03/177340703.db2.gz DWTOYLPNZNZRIR-CXAGYDPISA-N 1 0 271.360 2.357 10 0 CEAERO C[C@@H](CS(C)(=O)=O)Nc1cc[nH+]c2ccccc12 ZINC000078637821 177363027 /nfs/dbraw/zinc/36/30/27/177363027.db2.gz ZNJHECLHYIJNGD-JTQLQIEISA-N 1 0 264.350 2.080 10 0 CEAERO Cc1cc2ncc(C[NH2+]C[C@@]3(O)CCC[C@H](C)C3)cn2n1 ZINC000078638669 177363613 /nfs/dbraw/zinc/36/36/13/177363613.db2.gz MASPACIYOBFFNA-BLLLJJGKSA-N 1 0 288.395 2.069 10 0 CEAERO C[C@@H](CC[NH3+])CCC(=O)N[C@H](Cn1ccnc1)C(C)(C)C ZINC000079189808 177441903 /nfs/dbraw/zinc/44/19/03/177441903.db2.gz BRMHWPXXXODUGX-ZIAGYGMSSA-N 1 0 294.443 2.179 10 0 CEAERO CC(C)(C)[C@@H](CC[NH3+])CCC(=O)N1CCCC[C@H]1CO ZINC000079290193 177464449 /nfs/dbraw/zinc/46/44/49/177464449.db2.gz UXFVFYUHOMYXIT-KGLIPLIRSA-N 1 0 284.444 2.151 10 0 CEAERO CC[NH2+][C@@](C)(CCSc1ncccc1Cl)C(N)=O ZINC000079448763 177492256 /nfs/dbraw/zinc/49/22/56/177492256.db2.gz MAXUWXFYFBWKNK-LBPRGKRZSA-N 1 0 287.816 2.071 10 0 CEAERO C[C@@]1(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)CCC[NH2+]1 ZINC000079515457 177512045 /nfs/dbraw/zinc/51/20/45/177512045.db2.gz AQSCKASNQVYLGN-UMNHJUIQSA-N 1 0 278.318 2.366 10 0 CEAERO CC[C@@H](CC1CC1)NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+] ZINC000079536471 177517142 /nfs/dbraw/zinc/51/71/42/177517142.db2.gz OMLLMFDGHBLLIX-QMVSFRDZSA-N 1 0 250.386 2.055 10 0 CEAERO CCC[C@@H](COC)NC(=O)[C@@]1(CCC)CCC[NH2+]C1 ZINC000079749397 177551345 /nfs/dbraw/zinc/55/13/45/177551345.db2.gz QTPBQAOLRXDEKP-ZFWWWQNUSA-N 1 0 270.417 2.088 10 0 CEAERO CN(C(=O)NC1CCCCC1)c1ccc(C(N)=[NH2+])cc1 ZINC000079780561 177557517 /nfs/dbraw/zinc/55/75/17/177557517.db2.gz BUFUEPVJBFFYQE-UHFFFAOYSA-N 1 0 274.368 2.449 10 0 CEAERO O=c1cc(C[NH2+]C2CC2)nc(Cc2cccc(Cl)c2)[nH]1 ZINC000079940664 177585246 /nfs/dbraw/zinc/58/52/46/177585246.db2.gz AQJQIOGNGMXBFO-UHFFFAOYSA-N 1 0 289.766 2.266 10 0 CEAERO Cc1c(Cl)cnn1C[C@H]1CC[C@@H](C[NH2+]C(C)C)O1 ZINC000080018515 177597297 /nfs/dbraw/zinc/59/72/97/177597297.db2.gz XKEVKPZMOOUOIB-NWDGAFQWSA-N 1 0 271.792 2.391 10 0 CEAERO Cc1nn(Cc2c(F)cccc2Cl)cc1C[NH3+] ZINC000080052258 177603587 /nfs/dbraw/zinc/60/35/87/177603587.db2.gz PYEWUUYTYKMKQO-UHFFFAOYSA-N 1 0 253.708 2.491 10 0 CEAERO CCC[NH2+]CCc1c(C)nn(CC2CCOCC2)c1C ZINC000080063415 177604230 /nfs/dbraw/zinc/60/42/30/177604230.db2.gz AMJAIUPLRZJPEU-UHFFFAOYSA-N 1 0 279.428 2.469 10 0 CEAERO CCCCOC[C@H](O)C[NH+]1CCC2(CC2(F)F)CC1 ZINC000405165655 419402268 /nfs/dbraw/zinc/40/22/68/419402268.db2.gz LRLKMTMBDUJTEG-GFCCVEGCSA-N 1 0 277.355 2.285 10 0 CEAERO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@H](C)[NH3+] ZINC000074532977 419411083 /nfs/dbraw/zinc/41/10/83/419411083.db2.gz WGQBTLFPFDGTNO-JGVFFNPUSA-N 1 0 291.178 2.224 10 0 CEAERO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1cc(C(C)(C)C)[nH]n1 ZINC000135894608 419440726 /nfs/dbraw/zinc/44/07/26/419440726.db2.gz LDJGFJGPOPGCBW-KCJUWKMLSA-N 1 0 252.362 2.019 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCc2sccc2C1 ZINC000136291435 419441719 /nfs/dbraw/zinc/44/17/19/419441719.db2.gz MIRVDOFSTOPCDG-NSHDSACASA-N 1 0 252.383 2.006 10 0 CEAERO Cc1cc(N(C)C)ccc1NC(=O)C[C@H]([NH3+])C(C)C ZINC000136326300 419445198 /nfs/dbraw/zinc/44/51/98/419445198.db2.gz NQFWHGSFGYNUQY-ZDUSSCGKSA-N 1 0 263.385 2.373 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000136349908 419445493 /nfs/dbraw/zinc/44/54/93/419445493.db2.gz LZNQMGJHMVGDEG-AWEZNQCLSA-N 1 0 284.363 2.456 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000136436463 419446492 /nfs/dbraw/zinc/44/64/92/419446492.db2.gz AKNGPSLMUSZRHJ-CQSZACIVSA-N 1 0 289.379 2.347 10 0 CEAERO O=C(C[C@H]1CC[NH2+]C1)N1CCC(Oc2ccccc2)CC1 ZINC000089743313 260238733 /nfs/dbraw/zinc/23/87/33/260238733.db2.gz JGOQLGRPEDXWEP-CQSZACIVSA-N 1 0 288.391 2.056 10 0 CEAERO O=C(C[C@@H]1CC[NH2+]C1)N1CCC(Oc2ccccc2)CC1 ZINC000089743311 260238742 /nfs/dbraw/zinc/23/87/42/260238742.db2.gz JGOQLGRPEDXWEP-AWEZNQCLSA-N 1 0 288.391 2.056 10 0 CEAERO Clc1cnc(NC[C@@H]2C[NH2+]CCCO2)c(Cl)c1 ZINC000390186399 260722019 /nfs/dbraw/zinc/72/20/19/260722019.db2.gz GJMRKOSATPHWQN-VIFPVBQESA-N 1 0 276.167 2.179 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+]C2CC(C)C2)C12CCOCC2 ZINC000186416294 270250400 /nfs/dbraw/zinc/25/04/00/270250400.db2.gz CAAFCQDUPODPFT-PQAZSJQKSA-N 1 0 253.386 2.349 10 0 CEAERO CC1(C)CCC[NH2+][C@H]1C(=O)N[C@@H]1COc2ccccc21 ZINC000232943715 270314346 /nfs/dbraw/zinc/31/43/46/270314346.db2.gz UIDCPZBPRYWRRQ-OCCSQVGLSA-N 1 0 274.364 2.015 10 0 CEAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000392906070 270341634 /nfs/dbraw/zinc/34/16/34/270341634.db2.gz RNJPJHHULWDXAS-BXKDBHETSA-N 1 0 286.297 2.462 10 0 CEAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000392938665 270341985 /nfs/dbraw/zinc/34/19/85/270341985.db2.gz NWLUPWVDJMBHLN-MYBVVQOTSA-N 1 0 262.397 2.068 10 0 CEAERO CC[C@H](C[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O)OC ZINC000397063624 270351749 /nfs/dbraw/zinc/35/17/49/270351749.db2.gz RYJZPQBZEKKCTD-TUVASFSCSA-N 1 0 255.402 2.427 10 0 CEAERO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)cc1F ZINC000398961672 270364578 /nfs/dbraw/zinc/36/45/78/270364578.db2.gz VEUQKEGAJSKNTK-BFHYXJOUSA-N 1 0 279.355 2.427 10 0 CEAERO C[C@H](Oc1ccccc1Cl)C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000423682830 270930539 /nfs/dbraw/zinc/93/05/39/270930539.db2.gz TXBCWJOAGMDPEJ-SCVCMEIPSA-N 1 0 282.771 2.055 10 0 CEAERO Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000423958233 270992713 /nfs/dbraw/zinc/99/27/13/270992713.db2.gz QIBWMYJFJULOTA-DMDPSCGWSA-N 1 0 296.798 2.221 10 0 CEAERO C[C@@H]1CCN(C(=O)Nc2ccc3c(n2)CCC3)[C@@H](C[NH3+])C1 ZINC000333391023 274298686 /nfs/dbraw/zinc/29/86/86/274298686.db2.gz XMPKFMRUNILVTP-DGCLKSJQSA-N 1 0 288.395 2.161 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000094648219 274417598 /nfs/dbraw/zinc/41/75/98/274417598.db2.gz AVDDNAYABOJQSV-CBAPKCEASA-N 1 0 272.270 2.431 10 0 CEAERO c1ccc2nc(N3CC[N@H+]4CCCC[C@H]4C3)cnc2c1 ZINC000106114987 275071924 /nfs/dbraw/zinc/07/19/24/275071924.db2.gz WGFIZHCQSJVRAK-ZDUSSCGKSA-N 1 0 268.364 2.304 10 0 CEAERO c1ccc2nc(N3CC[C@H]4C[NH2+]C[C@H]4C3)ccc2c1 ZINC000261607301 275072130 /nfs/dbraw/zinc/07/21/30/275072130.db2.gz RQYOKDLLNRZGBR-KBPBESRZSA-N 1 0 253.349 2.281 10 0 CEAERO CC1(C)CN(c2nnc(C(F)(F)F)s2)CC[C@H]1[NH3+] ZINC000261562733 275852250 /nfs/dbraw/zinc/85/22/50/275852250.db2.gz GPHQJPMDTMJLHK-ZCFIWIBFSA-N 1 0 280.319 2.121 10 0 CEAERO CCC[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccccn1 ZINC000180588564 276026001 /nfs/dbraw/zinc/02/60/01/276026001.db2.gz CWHNIJHCEMSWAY-GXTWGEPZSA-N 1 0 271.368 2.119 10 0 CEAERO CCN1CCC[C@H]([NH2+][C@@H]2CC(=O)N(C)c3ccccc32)C1 ZINC000040502961 276178957 /nfs/dbraw/zinc/17/89/57/276178957.db2.gz ABKWCHUZTNTEBF-DZGCQCFKSA-N 1 0 287.407 2.168 10 0 CEAERO CCN1CC[C@@H]([NH2+][C@H]2CCCc3ccc(O)cc32)C1 ZINC000334579874 276217436 /nfs/dbraw/zinc/21/74/36/276217436.db2.gz QADFZTBHPPAZQC-CJNGLKHVSA-N 1 0 260.381 2.453 10 0 CEAERO CCC1CCC(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000094647556 276222275 /nfs/dbraw/zinc/22/22/75/276222275.db2.gz KKLCZMYZXFIYAB-GFJIZPEISA-N 1 0 252.402 2.460 10 0 CEAERO CCC[C@@H](C(=O)N(C)Cc1cc(Cl)cn1C)[NH+](C)C ZINC000154042507 276268640 /nfs/dbraw/zinc/26/86/40/276268640.db2.gz QVUZCRWTTMVQIB-ZDUSSCGKSA-N 1 0 285.819 2.367 10 0 CEAERO CCOc1cc(N[C@@H](C[NH3+])C2CCCCC2)ncn1 ZINC000130882963 276370960 /nfs/dbraw/zinc/37/09/60/276370960.db2.gz LJTLFLLLNWMDMI-LBPRGKRZSA-N 1 0 264.373 2.195 10 0 CEAERO CCS[C@@H]1CCC[C@@H](NC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000175873664 276397696 /nfs/dbraw/zinc/39/76/96/276397696.db2.gz DCQKQHKTNLHRCN-HZSPNIEDSA-N 1 0 299.484 2.396 10 0 CEAERO COC(=O)[C@H](CC(C)C)[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000351877212 277119156 /nfs/dbraw/zinc/11/91/56/277119156.db2.gz BCIKBAZGCWGILQ-DZKIICNBSA-N 1 0 283.412 2.201 10 0 CEAERO CC(C)(C)[C@H](NC(=O)C1C[NH2+]C1)c1ccc(F)cc1 ZINC000091409250 277250041 /nfs/dbraw/zinc/25/00/41/277250041.db2.gz NRQVNGZAQKDPIC-CYBMUJFWSA-N 1 0 264.344 2.249 10 0 CEAERO C[NH2+][C@H]1CCCN(c2cc(C(F)(F)F)ccn2)C1 ZINC000090803857 277300232 /nfs/dbraw/zinc/30/02/32/277300232.db2.gz MNXWVZSFMNEKDE-JTQLQIEISA-N 1 0 259.275 2.289 10 0 CEAERO CC(C)CC1(CNC(=O)C2([NH3+])CCOCC2)CCCC1 ZINC000132282236 277348301 /nfs/dbraw/zinc/34/83/01/277348301.db2.gz AVGOHXWIHCUXGT-UHFFFAOYSA-N 1 0 282.428 2.217 10 0 CEAERO COC(=O)[C@@H]1C[NH2+]CC[C@@H]1Cc1ccc(Cl)cc1 ZINC000039941213 277366364 /nfs/dbraw/zinc/36/63/64/277366364.db2.gz GLBHYYPYZIJNHF-DGCLKSJQSA-N 1 0 267.756 2.281 10 0 CEAERO CC(C)c1nc(CN2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)cs1 ZINC000105823973 278071704 /nfs/dbraw/zinc/07/17/04/278071704.db2.gz WNIAMGAQWIJAPH-CHWSQXEVSA-N 1 0 297.468 2.153 10 0 CEAERO CS[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000227429739 278144458 /nfs/dbraw/zinc/14/44/58/278144458.db2.gz AZRPEEGMKFAKIH-FDYHWXHSSA-N 1 0 270.442 2.152 10 0 CEAERO CSc1nc(Cl)cc(N2CCCC[C@@H]2C[NH3+])n1 ZINC000095071757 278178936 /nfs/dbraw/zinc/17/89/36/278178936.db2.gz RLLJWYPCKVYJLV-MRVPVSSYSA-N 1 0 272.805 2.170 10 0 CEAERO CC1(C)C(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1(C)C ZINC000252604430 278183172 /nfs/dbraw/zinc/18/31/72/278183172.db2.gz OUJWXOQFSSZWNG-TUAOUCFPSA-N 1 0 264.413 2.458 10 0 CEAERO C[C@@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000184272923 278193465 /nfs/dbraw/zinc/19/34/65/278193465.db2.gz GXXJGUSMICQHFZ-HIFRSBDPSA-N 1 0 258.365 2.097 10 0 CEAERO C[C@@H](C(=O)N[C@H]1COc2ccccc21)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245202865 278213780 /nfs/dbraw/zinc/21/37/80/278213780.db2.gz WSMOGIXGNUZXPD-XFMPKHEZSA-N 1 0 288.391 2.498 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1nc2ccccc2n1C ZINC000134239356 278275489 /nfs/dbraw/zinc/27/54/89/278275489.db2.gz FHNXAELKQXDSMM-QJPTWQEYSA-N 1 0 259.353 2.401 10 0 CEAERO C[C@@H](CNC(=O)[C@@H]1CC[C@@H](C)O1)[N@H+](C)Cc1ccccc1 ZINC000245988396 278280173 /nfs/dbraw/zinc/28/01/73/278280173.db2.gz HYWRTKJLCDOPMU-LZWOXQAQSA-N 1 0 290.407 2.191 10 0 CEAERO CC(C)(C)OC(=O)N1CCC2(CC1)SCC[C@H]2C[NH3+] ZINC000091303302 278383616 /nfs/dbraw/zinc/38/36/16/278383616.db2.gz VEQAXGUZXWDGEO-NSHDSACASA-N 1 0 286.441 2.468 10 0 CEAERO C[C@@H]1CCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)c2ccccc21 ZINC000188389594 278539338 /nfs/dbraw/zinc/53/93/38/278539338.db2.gz AEVMRJDFXTVQCO-LLVKDONJSA-N 1 0 296.374 2.209 10 0 CEAERO CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H](C)C1C[NH2+]C1 ZINC000262512951 278904753 /nfs/dbraw/zinc/90/47/53/278904753.db2.gz JVKPWAKAXMWFLZ-YRGRVCCFSA-N 1 0 252.402 2.269 10 0 CEAERO C[C@@H]1Cc2ccccc2N(C(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000227805820 279017711 /nfs/dbraw/zinc/01/77/11/279017711.db2.gz BPNSSYXIDAZKAY-KWCYVHTRSA-N 1 0 258.365 2.339 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+]C[C@H]2CCCC[C@H]2C)C1 ZINC000263534952 279059418 /nfs/dbraw/zinc/05/94/18/279059418.db2.gz YQQSGPNLYHEQRE-LMRVLLHPSA-N 1 0 282.428 2.340 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)C1 ZINC000263494094 279059688 /nfs/dbraw/zinc/05/96/88/279059688.db2.gz JGAYBKDRZDNQFL-JIPNABBHSA-N 1 0 282.428 2.338 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(Br)cc1 ZINC000261595234 279086054 /nfs/dbraw/zinc/08/60/54/279086054.db2.gz XYIGICVQGLJEBT-KCJUWKMLSA-N 1 0 283.169 2.011 10 0 CEAERO CC(C)C[C@H]1CCCN(C(=O)[C@@H](C)C2C[NH2+]C2)C1 ZINC000262345579 279209132 /nfs/dbraw/zinc/20/91/32/279209132.db2.gz FWYNVNXAZLGEKQ-QWHCGFSZSA-N 1 0 252.402 2.127 10 0 CEAERO CC(C)N(C(=O)C[N@@H+]1CCS[C@@H](C)C1)C(C)C ZINC000171701405 279282388 /nfs/dbraw/zinc/28/23/88/279282388.db2.gz CIRZVCDUGFBBIB-LBPRGKRZSA-N 1 0 258.431 2.069 10 0 CEAERO C[C@H](C[C@@H]1COCCN1)[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000133775665 279369336 /nfs/dbraw/zinc/36/93/36/279369336.db2.gz FRHULJJSKDUWIR-YVECIDJPSA-N 1 0 294.361 2.464 10 0 CEAERO C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CCCn2ncnc21 ZINC000188120861 279382161 /nfs/dbraw/zinc/38/21/61/279382161.db2.gz DTUHFIDOAJZQBC-BXUZGUMPSA-N 1 0 274.343 2.473 10 0 CEAERO C[C@H]1CCC[C@](CNc2ccnc(C(N)=O)c2)([NH+](C)C)C1 ZINC000040670012 279693774 /nfs/dbraw/zinc/69/37/74/279693774.db2.gz HTSBDGDQABQGLK-LRDDRELGSA-N 1 0 290.411 2.103 10 0 CEAERO CCOCCNC(=O)C[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000175914152 279712052 /nfs/dbraw/zinc/71/20/52/279712052.db2.gz OOPJBGYJWSCQTQ-CYBMUJFWSA-N 1 0 278.396 2.052 10 0 CEAERO 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ZINC000472352008 290295625 /nfs/dbraw/zinc/29/56/25/290295625.db2.gz SEEOIEHUQMSZGG-UHFFFAOYSA-N 1 0 262.401 2.310 10 0 CEAERO C[C@H]1CC(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)C[C@H](C)C1 ZINC000246757499 290346166 /nfs/dbraw/zinc/34/61/66/290346166.db2.gz AGFMSQULQKPGBP-NFAWXSAZSA-N 1 0 279.428 2.301 10 0 CEAERO CO[C@H](C)CCC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000181774944 294226494 /nfs/dbraw/zinc/22/64/94/294226494.db2.gz DRGRTSXCHQVABL-ZIAGYGMSSA-N 1 0 270.417 2.038 10 0 CEAERO COc1ccc([C@@H](C)C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261866307 295204145 /nfs/dbraw/zinc/20/41/45/295204145.db2.gz NPUXUSRKCYIDTK-DOMZBBRYSA-N 1 0 290.407 2.385 10 0 CEAERO [NH3+][C@H]1CC=c2ccccc2=C1c1c(O)ccc2ccccc21 ZINC000095936538 295332975 /nfs/dbraw/zinc/33/29/75/295332975.db2.gz PREUNDZVJSEWMZ-KRWDZBQOSA-N 1 0 287.362 2.256 10 0 CEAERO C[C@H]1CCN(C(=O)CSC(C)(C)C)[C@@H](C[NH3+])C1 ZINC000235583735 299926909 /nfs/dbraw/zinc/92/69/09/299926909.db2.gz JTYDFRFROCKCRQ-WDEREUQCSA-N 1 0 258.431 2.104 10 0 CEAERO C[C@H](CCNC(=[NH2+])NC1CCCC1)NC(=O)OC(C)(C)C ZINC000171042856 297473254 /nfs/dbraw/zinc/47/32/54/297473254.db2.gz UFNWVSXXAXVZKC-LLVKDONJSA-N 1 0 298.431 2.346 10 0 CEAERO CCc1nc(C)c(CN[C@@H](C)[C@@H]2CCC[NH2+]C2)o1 ZINC000562956901 298725183 /nfs/dbraw/zinc/72/51/83/298725183.db2.gz ALFFBQLRXULOSF-CMPLNLGQSA-N 1 0 251.374 2.023 10 0 CEAERO COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)CCO2 ZINC000565238921 298890605 /nfs/dbraw/zinc/89/06/05/298890605.db2.gz SUYLRSXYFLOTAX-RRFJBIMHSA-N 1 0 277.364 2.412 10 0 CEAERO C[C@H]1OCCC[C@H]1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000189691449 300587093 /nfs/dbraw/zinc/58/70/93/300587093.db2.gz OTSNBUPHMLOBOT-XSCHDIRWSA-N 1 0 282.428 2.038 10 0 CEAERO Cc1cccc([C@@H](C)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000173701236 302019861 /nfs/dbraw/zinc/01/98/61/302019861.db2.gz ZDEXUDHZQRPTTP-GDBMZVCRSA-N 1 0 262.397 2.318 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000261706559 303425945 /nfs/dbraw/zinc/42/59/45/303425945.db2.gz IUXAFDPGKOAJOI-AAVRWANBSA-N 1 0 250.386 2.010 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)C1(c2ccc(F)cc2)CC1 ZINC000237808393 303426537 /nfs/dbraw/zinc/42/65/37/303426537.db2.gz MEBGDWZWHOZHMY-BXUZGUMPSA-N 1 0 276.355 2.101 10 0 CEAERO [NH3+][C@@H]1CCC[C@H](C(=O)NC2C3CC4CC(C3)CC2C4)C1 ZINC000070575125 303463175 /nfs/dbraw/zinc/46/31/75/303463175.db2.gz GIKRRVABHOOMDS-DRHLYTSKSA-N 1 0 276.424 2.445 10 0 CEAERO CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)CC[NH2+]1 ZINC000175390592 312698268 /nfs/dbraw/zinc/69/82/68/312698268.db2.gz DREPPFAHMNGHPC-NWDGAFQWSA-N 1 0 294.345 2.279 10 0 CEAERO CCC[C@H](C)C[NH+]1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000180101261 312762280 /nfs/dbraw/zinc/76/22/80/312762280.db2.gz DTNDFYPTXPGTNZ-QWHCGFSZSA-N 1 0 280.416 2.493 10 0 CEAERO CO[C@](C)(C[NH2+]Cc1cnn(C)c1C)c1ccccc1 ZINC000384325527 321852013 /nfs/dbraw/zinc/85/20/13/321852013.db2.gz RJZFVYKRRSBZAM-MRXNPFEDSA-N 1 0 273.380 2.380 10 0 CEAERO Cc1cnc(N2CCc3ccccc3[C@H]2C[NH3+])nc1C ZINC000386543309 321872090 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/nfs/dbraw/zinc/89/84/71/519898471.db2.gz QJIHSTMAMSIPSV-NFOMZHRRSA-N 1 0 284.444 2.476 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N(Cc1ccccn1)C(C)C ZINC000061295792 519903898 /nfs/dbraw/zinc/90/38/98/519903898.db2.gz FCCDBDLYVNIHGG-UHFFFAOYSA-N 1 0 263.385 2.207 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1ccc(F)c(F)c1F ZINC000061286971 519906405 /nfs/dbraw/zinc/90/64/05/519906405.db2.gz ULXYIFVEWYANBB-UHFFFAOYSA-N 1 0 260.259 2.431 10 0 CEAERO CCC[NH2+]CCN(C)Cc1cc(C)ccc1OC ZINC000053661195 519914050 /nfs/dbraw/zinc/91/40/50/519914050.db2.gz XGUZVOCTOBEJPH-UHFFFAOYSA-N 1 0 250.386 2.435 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000061233737 519964510 /nfs/dbraw/zinc/96/45/10/519964510.db2.gz XLTJOPJISLYINY-GARJFASQSA-N 1 0 280.334 2.469 10 0 CEAERO CC[NH2+]C[C@H](OCCOC)c1ccc(OC)cc1 ZINC000050495537 519974162 /nfs/dbraw/zinc/97/41/62/519974162.db2.gz GOZDHSJYRAMFCU-AWEZNQCLSA-N 1 0 253.342 2.009 10 0 CEAERO CC[NH2+]C[C@H]1CC[C@H](Cn2nc(C)c(CC)c2C)O1 ZINC000052592173 519982048 /nfs/dbraw/zinc/98/20/48/519982048.db2.gz MECVBBLZLJKFRY-ZIAGYGMSSA-N 1 0 265.401 2.219 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccc(F)cc1OC[C@@H](C)C(N)=O ZINC000062747430 519988238 /nfs/dbraw/zinc/98/82/38/519988238.db2.gz FWEGZIVBEZOGEJ-MNOVXSKESA-N 1 0 282.359 2.387 10 0 CEAERO CC[NH2+]Cc1cc(CN2CCOCC2(C)C)oc1C ZINC000052546086 519991307 /nfs/dbraw/zinc/99/13/07/519991307.db2.gz VBSCIYWNXJQJIC-UHFFFAOYSA-N 1 0 266.385 2.308 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)NCc1ccc(F)c(Cl)c1 ZINC000061274789 520065657 /nfs/dbraw/zinc/06/56/57/520065657.db2.gz BSAIXXNJOICRBF-VIFPVBQESA-N 1 0 272.751 2.483 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N[C@@H](C)c1cccc(OC)c1 ZINC000061271498 520065745 /nfs/dbraw/zinc/06/57/45/520065745.db2.gz XWVTWWJOHGQWPX-RYUDHWBXSA-N 1 0 264.369 2.261 10 0 CEAERO CCCN[C@H](CC[N@H+](C)[C@@H](C)CC)C(=O)OCC ZINC000062444840 520072015 /nfs/dbraw/zinc/07/20/15/520072015.db2.gz VFOUIEWOAFZYLA-QWHCGFSZSA-N 1 0 258.406 2.038 10 0 CEAERO CCC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1S(C)(=O)=O ZINC000054930147 520095855 /nfs/dbraw/zinc/09/58/55/520095855.db2.gz GVWWCJYOYGPZHE-AVGNSLFASA-N 1 0 261.431 2.224 10 0 CEAERO CCN[C@@](C)(C[C@@H](C)[N@H+]1C[C@H](C)C[C@H](C)C1)C(=O)OC ZINC000068618132 520138914 /nfs/dbraw/zinc/13/89/14/520138914.db2.gz IOXKKLFNGGQGPN-CTASWTNQSA-N 1 0 284.444 2.284 10 0 CEAERO CC[NH2+][C@H](CS(C)(=O)=O)c1cc2ccccc2o1 ZINC000054930451 520199998 /nfs/dbraw/zinc/19/99/98/520199998.db2.gz GAOAXOIIZHSQLW-LLVKDONJSA-N 1 0 267.350 2.128 10 0 CEAERO C[C@H]1CN(Cc2csc(-c3ccco3)n2)C[C@@H]1C[NH3+] ZINC000631840069 500938933 /nfs/dbraw/zinc/93/89/33/500938933.db2.gz PEVHTGUSNFQCLK-QWRGUYRKSA-N 1 0 277.393 2.430 10 0 CEAERO CCC[C@H](C)[N@H+](C)C[C@](NCC)(C(=O)OCC)C1CC1 ZINC000069100239 521037078 /nfs/dbraw/zinc/03/70/78/521037078.db2.gz FCSOCCNBQNDOKG-XJKSGUPXSA-N 1 0 284.444 2.428 10 0 CEAERO CCOC(=O)[C@@H](CC[NH+](CC(C)C)CC(C)C)NC ZINC000062454209 521057438 /nfs/dbraw/zinc/05/74/38/521057438.db2.gz DIEWNHDWDRVFPA-CQSZACIVSA-N 1 0 272.433 2.142 10 0 CEAERO CCN(CC[C@@H]([NH2+]C(C)C)C(N)=O)c1ccc(C)cc1 ZINC000062529112 521154677 /nfs/dbraw/zinc/15/46/77/521154677.db2.gz UMTQFMIPBCKRHL-OAHLLOKOSA-N 1 0 277.412 2.063 10 0 CEAERO CCOC(=O)[C@](C[N@@H+]1CCC[C@@H]1C)(NC(C)C)C1CC1 ZINC000069088651 521340410 /nfs/dbraw/zinc/34/04/10/521340410.db2.gz ILXYVJUQTHDKFC-XJKSGUPXSA-N 1 0 282.428 2.181 10 0 CEAERO CCCN(CC1CC1)C(=O)[C@]1(CCC)CC[NH2+]C1 ZINC000062891233 521623192 /nfs/dbraw/zinc/62/31/92/521623192.db2.gz SOROFGCSZNIFRB-OAHLLOKOSA-N 1 0 252.402 2.415 10 0 CEAERO CCc1ccccc1[C@@H](CN)[N@H+](C)C1CCOCC1 ZINC000052203575 521929397 /nfs/dbraw/zinc/92/93/97/521929397.db2.gz LMZBELANHFNQQS-MRXNPFEDSA-N 1 0 262.397 2.360 10 0 CEAERO COCC[C@H]([NH3+])CN(C)Cc1ccc(Cl)cc1 ZINC000052810806 521950984 /nfs/dbraw/zinc/95/09/84/521950984.db2.gz SURWJHCMDQEJJC-ZDUSSCGKSA-N 1 0 256.777 2.136 10 0 CEAERO C[NH2+]CC1(CN(C)c2cccc(C)c2)CCOCC1 ZINC000052182824 521970398 /nfs/dbraw/zinc/97/03/98/521970398.db2.gz WGFBNWRPIDMQJD-UHFFFAOYSA-N 1 0 262.397 2.447 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1c1cccc(Cl)c1C(N)=O ZINC000063169486 522081037 /nfs/dbraw/zinc/08/10/37/522081037.db2.gz UNRTUSUDSKATIU-SNVBAGLBSA-N 1 0 281.787 2.017 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(c2ccc(C(N)=S)cc2)CC1 ZINC000055080604 522135264 /nfs/dbraw/zinc/13/52/64/522135264.db2.gz XNSASPVTUNQKPU-GFCCVEGCSA-N 1 0 277.437 2.241 10 0 CEAERO C[NH2+]Cc1oc(CN2CCO[C@@H]3CCC[C@@H]32)cc1C ZINC000052540408 522159407 /nfs/dbraw/zinc/15/94/07/522159407.db2.gz GJEUWHSGOWJSLP-UONOGXRCSA-N 1 0 264.369 2.061 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(F)cc1OCC(=O)NC(C)C ZINC000062746597 522330913 /nfs/dbraw/zinc/33/09/13/522330913.db2.gz ZUPZBVRBLVPBMI-JTQLQIEISA-N 1 0 268.332 2.010 10 0 CEAERO CC[C@H]([NH3+])c1c(C)nn(Cc2cnn(CC)c2)c1C ZINC000054716681 522345349 /nfs/dbraw/zinc/34/53/49/522345349.db2.gz GWRGGIWFTKJMTD-ZDUSSCGKSA-N 1 0 261.373 2.174 10 0 CEAERO CC[C@H]([NH3+])c1c(C)nn(CC2CCOCC2)c1C ZINC000054716693 522346225 /nfs/dbraw/zinc/34/62/25/522346225.db2.gz NLXJWRFCIVTGBZ-ZDUSSCGKSA-N 1 0 251.374 2.336 10 0 CEAERO CN[C@@](C)(CCCC[N@@H+]1CCCC(C)(C)C1)C(=O)OC ZINC000069516470 522407084 /nfs/dbraw/zinc/40/70/84/522407084.db2.gz LTRGYRXCISQILO-INIZCTEOSA-N 1 0 284.444 2.430 10 0 CEAERO C[C@H]([NH2+]CCF)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400411027 533854347 /nfs/dbraw/zinc/85/43/47/533854347.db2.gz UBVVECKQICCCQT-WDEREUQCSA-N 1 0 260.353 2.191 10 0 CEAERO C[NH2+][C@H]1CCCc2cc(OCCC(=O)OC)ccc21 ZINC000069317385 522499117 /nfs/dbraw/zinc/49/91/17/522499117.db2.gz RZSUITRUIYENSO-AWEZNQCLSA-N 1 0 263.337 2.225 10 0 CEAERO C[NH2+][C@](C)(C[C@H](C)Oc1ccc(C(C)C)cc1)C(N)=O ZINC000068655288 522522604 /nfs/dbraw/zinc/52/26/04/522522604.db2.gz HOXZNXNVMBVHKR-BLLLJJGKSA-N 1 0 278.396 2.431 10 0 CEAERO COC(=O)[C@@]1(NC2CC2)CCC[C@H]([NH+]2CCC(C)CC2)C1 ZINC000093748413 518009225 /nfs/dbraw/zinc/00/92/25/518009225.db2.gz CXXWPDHPGKXUGG-DOTOQJQBSA-N 1 0 294.439 2.325 10 0 CEAERO Brc1ccc(COC[C@H]2CC[NH2+]C2)o1 ZINC000051888383 518211959 /nfs/dbraw/zinc/21/19/59/518211959.db2.gz JDQPXODCYCUAET-QMMMGPOBSA-N 1 0 260.131 2.168 10 0 CEAERO CC(C)(C)NC(=O)N1C[C@@H](CC[NH3+])c2ccccc21 ZINC000063128262 518740893 /nfs/dbraw/zinc/74/08/93/518740893.db2.gz UMTCNBGSPOHWPP-LLVKDONJSA-N 1 0 261.369 2.447 10 0 CEAERO CC(C)(C)[NH2+]CCN1c2cccc(Cl)c2C(=O)C1=O ZINC000048785484 518756396 /nfs/dbraw/zinc/75/63/96/518756396.db2.gz BGBCJDKTEZXNBW-UHFFFAOYSA-N 1 0 280.755 2.257 10 0 CEAERO CC(C)(C)[NH2+]C[C@H]1CC[C@H](COC[C@@H]2CCCO2)O1 ZINC000052626383 518762764 /nfs/dbraw/zinc/76/27/64/518762764.db2.gz UQVUNERUFNMAPM-HZSPNIEDSA-N 1 0 271.401 2.118 10 0 CEAERO CC(C)(C)c1ccc(NS(=O)(=O)C2CC[NH2+]CC2)cc1 ZINC000049640661 519038007 /nfs/dbraw/zinc/03/80/07/519038007.db2.gz UCLKOXXLQBNXNL-UHFFFAOYSA-N 1 0 296.436 2.478 10 0 CEAERO CC(C)(C)c1csc(NC(=O)[C@@H]2CCC[NH2+]C2)n1 ZINC000049499975 519086235 /nfs/dbraw/zinc/08/62/35/519086235.db2.gz VMPZJBHNJSFYOJ-SECBINFHSA-N 1 0 267.398 2.379 10 0 CEAERO CC(C)(C)n1ccnc(Oc2cccc(C[NH3+])c2)c1=O ZINC000061770591 519168153 /nfs/dbraw/zinc/16/81/53/519168153.db2.gz UDWHJEITNIGRMD-UHFFFAOYSA-N 1 0 273.336 2.249 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc(N)cn1C(C)C ZINC000049550988 519338820 /nfs/dbraw/zinc/33/88/20/519338820.db2.gz LBDXFMZVVWZLAJ-CQSZACIVSA-N 1 0 294.443 2.357 10 0 CEAERO CC(C)C[C@H](CN(C)C)[NH2+]C[C@H](O)c1ccccc1F ZINC000049555634 519339464 /nfs/dbraw/zinc/33/94/64/519339464.db2.gz PREILBHMLBYIDX-CJNGLKHVSA-N 1 0 282.403 2.425 10 0 CEAERO CC(C)C[C@H](CN(C)C)[NH2+]C[C@@H](O)c1cccs1 ZINC000049555648 519339895 /nfs/dbraw/zinc/33/98/95/519339895.db2.gz PIVAZVCTENNDHV-CHWSQXEVSA-N 1 0 270.442 2.347 10 0 CEAERO CC(C)C[C@H]([NH3+])[C@H](O)c1cc2c(c(Cl)c1)OCO2 ZINC000054929323 519369325 /nfs/dbraw/zinc/36/93/25/519369325.db2.gz PXSIECXPFQCTOA-CMPLNLGQSA-N 1 0 271.744 2.476 10 0 CEAERO CC(C)C[C@H]([NH2+][C@@H](C)Cc1ccco1)C(=O)N(C)C ZINC000062769975 519398060 /nfs/dbraw/zinc/39/80/60/519398060.db2.gz QBOBWBKMXUHFNF-JSGCOSHPSA-N 1 0 266.385 2.303 10 0 CEAERO CC(C)NC(=O)CCOc1ccc(CC[NH3+])cc1Cl ZINC000054048943 519704249 /nfs/dbraw/zinc/70/42/49/519704249.db2.gz ZVUWAPUMJLCJBL-UHFFFAOYSA-N 1 0 284.787 2.135 10 0 CEAERO CC(C)NC(=O)[C@@H](C[NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC000050304257 519714204 /nfs/dbraw/zinc/71/42/04/519714204.db2.gz BHWMMEFQLXQTJB-LLVKDONJSA-N 1 0 288.313 2.347 10 0 CEAERO CC(C)[NH2+]CCCS(=O)(=O)Nc1ccccc1Cl ZINC000049641706 519721104 /nfs/dbraw/zinc/72/11/04/519721104.db2.gz IUJTXALSJWPKNN-UHFFFAOYSA-N 1 0 290.816 2.470 10 0 CEAERO CC(C)[NH2+]C[C@@H](Oc1ccc(S(C)(=O)=O)cc1)C(C)C ZINC000052701919 519722998 /nfs/dbraw/zinc/72/29/98/519722998.db2.gz HUMCWEFKNFORHN-OAHLLOKOSA-N 1 0 299.436 2.492 10 0 CEAERO CC(C)[NH2+]C[C@H]1CCN(Cc2ccc3c(c2)OCO3)C1 ZINC000061674930 519725075 /nfs/dbraw/zinc/72/50/75/519725075.db2.gz UVGPYNCQOWGEAH-CQSZACIVSA-N 1 0 276.380 2.235 10 0 CEAERO CC(C)[NH2+]C[C@](C)(CN1CCOCC1)c1ccccc1 ZINC000051208370 519725996 /nfs/dbraw/zinc/72/59/96/519725996.db2.gz PNWMQSPERHHCDI-QGZVFWFLSA-N 1 0 276.424 2.275 10 0 CEAERO CC(C)CN1CC[NH+]([C@H]2C[C@@H](C(C)C)CC[C@@H]2O)CC1 ZINC000055080838 519728490 /nfs/dbraw/zinc/72/84/90/519728490.db2.gz NLOYSWIVXNNSEF-ULQDDVLXSA-N 1 0 282.472 2.446 10 0 CEAERO CC(C)[NH2+]Cc1nnnn1[C@H](c1cccs1)C(C)C ZINC000054747583 519730126 /nfs/dbraw/zinc/73/01/26/519730126.db2.gz GAJGBIASXFSLDC-ZDUSSCGKSA-N 1 0 279.413 2.478 10 0 CEAERO CC(C)[NH2+]Cc1occc1COC1CCOCC1 ZINC000052597165 519730167 /nfs/dbraw/zinc/73/01/67/519730167.db2.gz JUTQIVXAZAZRSK-UHFFFAOYSA-N 1 0 253.342 2.473 10 0 CEAERO CC(C)[NH2+][C@@](C)(C[C@@H](C)n1cnc2ccccc21)C(N)=O ZINC000068648952 519736857 /nfs/dbraw/zinc/73/68/57/519736857.db2.gz NYBUAJKEDZIMSG-WBMJQRKESA-N 1 0 288.395 2.229 10 0 CEAERO CC(C)[NH2+][C@H](CCO[C@H]1CCCc2ccccc21)C(N)=O ZINC000062544552 519738526 /nfs/dbraw/zinc/73/85/26/519738526.db2.gz FAENNNWEIKRMLF-CVEARBPZSA-N 1 0 290.407 2.323 10 0 CEAERO CC(C)N[C@](C)(C[C@H](C)[N@H+](CC1CC1)C(C)C)C(N)=O ZINC000068637954 519740029 /nfs/dbraw/zinc/74/00/29/519740029.db2.gz GRHVNSFDHUWHFL-XJKSGUPXSA-N 1 0 283.460 2.127 10 0 CEAERO CC(C)C[NH2+]CCCCn1ncc2ccccc2c1=O ZINC000053521137 519743816 /nfs/dbraw/zinc/74/38/16/519743816.db2.gz HJXVTEAUBKCSKB-UHFFFAOYSA-N 1 0 273.380 2.422 10 0 CEAERO CC(C)C[NH2+]C[C@@H](C)Cn1nnc(-c2ccccc2)n1 ZINC000052574767 519744597 /nfs/dbraw/zinc/74/45/97/519744597.db2.gz XSRUZEPBLNTGST-CYBMUJFWSA-N 1 0 273.384 2.222 10 0 CEAERO CC(C)C[NH2+]C[C@H](C)CN1C[C@@H](C)OC(C)(C)C1 ZINC000052543415 519745548 /nfs/dbraw/zinc/74/55/48/519745548.db2.gz WMHFTQZZHYKIIB-UONOGXRCSA-N 1 0 256.434 2.367 10 0 CEAERO CC(C)C[NH2+]C[C@H](C)CN1CCN(c2ccccn2)CC1 ZINC000052418582 519745739 /nfs/dbraw/zinc/74/57/39/519745739.db2.gz LXQVVVARQLEAIM-INIZCTEOSA-N 1 0 290.455 2.085 10 0 CEAERO CC(C)C[NH2+]C[C@H](CC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000052952116 519746135 /nfs/dbraw/zinc/74/61/35/519746135.db2.gz VHWRTHOVMYZLDD-KGLIPLIRSA-N 1 0 275.458 2.329 10 0 CEAERO CC(C)C[NH2+]Cc1c(-n2ccnc2)nc2ccccn21 ZINC000062738561 519746627 /nfs/dbraw/zinc/74/66/27/519746627.db2.gz GPHWDJDLIBUDRY-UHFFFAOYSA-N 1 0 269.352 2.266 10 0 CEAERO CC(C)C[NH2+]Cc1ccccc1OCCC(=O)N(C)C ZINC000062729492 519747702 /nfs/dbraw/zinc/74/77/02/519747702.db2.gz DWSSPZMUFKQGLV-UHFFFAOYSA-N 1 0 278.396 2.289 10 0 CEAERO CC(=O)Nc1ccccc1OCC[C@H]1CCC[NH2+]C1 ZINC000051920072 519751007 /nfs/dbraw/zinc/75/10/07/519751007.db2.gz IQZSJJRMGIELQT-CYBMUJFWSA-N 1 0 262.353 2.414 10 0 CEAERO CC(C)COc1nc(N[C@H](C)CC[NH+](C)C)ccc1N ZINC000049555357 519765983 /nfs/dbraw/zinc/76/59/83/519765983.db2.gz FOAZVJXIYKRDNK-GFCCVEGCSA-N 1 0 280.416 2.451 10 0 CEAERO CC(C)C[C@@H](CN(C)C)[NH2+]CC(=O)Nc1ccccc1F ZINC000049555994 519775714 /nfs/dbraw/zinc/77/57/14/519775714.db2.gz KOFSNVSXBGMBDW-ZDUSSCGKSA-N 1 0 295.402 2.330 10 0 CEAERO CC(C)Oc1ccc(-n2nnnc2C[NH2+]C(C)(C)C)cc1 ZINC000054744353 519778239 /nfs/dbraw/zinc/77/82/39/519778239.db2.gz ZLTQOKDSCOZYFX-UHFFFAOYSA-N 1 0 289.383 2.338 10 0 CEAERO CC(C)Oc1cccc(C(=O)N2CCC[C@@H](C[NH3+])C2)c1 ZINC000061666830 519782266 /nfs/dbraw/zinc/78/22/66/519782266.db2.gz GIZODZDHIMFFHG-ZDUSSCGKSA-N 1 0 276.380 2.285 10 0 CEAERO CC(C)Oc1cccc(C(=O)NC[C@@H]2CCC[NH2+]C2)c1 ZINC000061666088 519782461 /nfs/dbraw/zinc/78/24/61/519782461.db2.gz JJBZKYTYOHYUOO-CYBMUJFWSA-N 1 0 276.380 2.203 10 0 CEAERO CC(C)[C@@H](CN(C)C)[NH2+][C@H](C)c1ccc(NC(N)=O)cc1 ZINC000049198876 519793931 /nfs/dbraw/zinc/79/39/31/519793931.db2.gz KADVCXIIFYEIHF-IUODEOHRSA-N 1 0 292.427 2.414 10 0 CEAERO CC(C)[C@@H]1CC[C@@H](O)[C@H]([N@@H+]2CCOC(C)(C)C2)C1 ZINC000054558291 519803316 /nfs/dbraw/zinc/80/33/16/519803316.db2.gz XMGMPRBINHCYFX-MGPQQGTHSA-N 1 0 255.402 2.283 10 0 CEAERO CC(C)[C@H]1C[C@H]([NH2+]CCCOC[C@@H]2CCCO2)CCO1 ZINC000070346953 519827771 /nfs/dbraw/zinc/82/77/71/519827771.db2.gz GWZSXVSRRWLOQR-OWCLPIDISA-N 1 0 285.428 2.365 10 0 CEAERO CCC1CC[NH+]([C@@H](C)C[C@](C)([NH2+]C2CC2)C(=O)[O-])CC1 ZINC000068638250 519859439 /nfs/dbraw/zinc/85/94/39/519859439.db2.gz OQBIBDMGWHNFAI-LRDDRELGSA-N 1 0 282.428 2.482 10 0 CEAERO CCC[NH+]1CCN(c2nc(C(C)(C)C)c(CO)s2)CC1 ZINC000055002607 519860314 /nfs/dbraw/zinc/86/03/14/519860314.db2.gz FZBFJGZNVQKWIE-UHFFFAOYSA-N 1 0 297.468 2.465 10 0 CEAERO CCCN1CCO[C@@H](C[NH2+]C)[C@@H]1c1cc(F)ccc1F ZINC000070288429 519861194 /nfs/dbraw/zinc/86/11/94/519861194.db2.gz IWRFGPFKKHHMGJ-GJZGRUSLSA-N 1 0 284.350 2.336 10 0 CEAERO CCCC1(C(=O)N2C[C@H](C)OC(C)(C)C2)CC[NH2+]CC1 ZINC000062850162 519887673 /nfs/dbraw/zinc/88/76/73/519887673.db2.gz OJWLXWXBKAHLLF-ZDUSSCGKSA-N 1 0 282.428 2.182 10 0 CEAERO CCCC1CCN(C(=O)[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000050906488 519900435 /nfs/dbraw/zinc/90/04/35/519900435.db2.gz BHQSREBYNUKWDB-JSGCOSHPSA-N 1 0 252.402 2.413 10 0 CEAERO CCCC1CC[NH+](CCC[C@](C)([NH2+]C)C(=O)[O-])CC1 ZINC000050905633 519900709 /nfs/dbraw/zinc/90/07/09/519900709.db2.gz HHULHMQOBIQFKJ-HNNXBMFYSA-N 1 0 270.417 2.341 10 0 CEAERO CCCC1CCN(c2c(C[NH2+]C)c(C)nn2C)CC1 ZINC000050894325 519903517 /nfs/dbraw/zinc/90/35/17/519903517.db2.gz FHTBVUFNALGLTE-UHFFFAOYSA-N 1 0 264.417 2.464 10 0 CEAERO CCN(C(=O)CC[C@H](C)[NH3+])[C@H](C)c1cccc(O)c1 ZINC000070317041 519906326 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CCCN[C@@](C[N@@H+]1CCCC[C@@H]1C)(C(=O)OC)C1CC1 ZINC000069093705 520052204 /nfs/dbraw/zinc/05/22/04/520052204.db2.gz LNRYFFIEBAXMJM-XJKSGUPXSA-N 1 0 282.428 2.182 10 0 CEAERO CCC[NH2+][C@H](C)c1ccc(O[C@@H](CC)C(N)=O)c(OC)c1 ZINC000061675827 520066120 /nfs/dbraw/zinc/06/61/20/520066120.db2.gz OKNPXBNCDCXPJJ-YPMHNXCESA-N 1 0 294.395 2.399 10 0 CEAERO CCC[NH2+][C@H](C)c1nc2cc(S(C)(=O)=O)ccc2[nH]1 ZINC000062365944 520067798 /nfs/dbraw/zinc/06/77/98/520067798.db2.gz FFFRMQHDOGRDGD-SECBINFHSA-N 1 0 281.381 2.027 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000061268905 520068480 /nfs/dbraw/zinc/06/84/80/520068480.db2.gz CHOOKBXTCDKVQS-JTQLQIEISA-N 1 0 266.341 2.030 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000061268944 520069646 /nfs/dbraw/zinc/06/96/46/520069646.db2.gz LCBHBWRADISFSF-QMMMGPOBSA-N 1 0 286.278 2.335 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1ccc(F)c(F)c1F ZINC000061268883 520069974 /nfs/dbraw/zinc/06/99/74/520069974.db2.gz AUCGSJDDEDQBDR-ZETCQYMHSA-N 1 0 260.259 2.431 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1ccccc1-n1ccnc1 ZINC000061270194 520070565 /nfs/dbraw/zinc/07/05/65/520070565.db2.gz CIFKIMIRYSMRHM-LBPRGKRZSA-N 1 0 272.352 2.199 10 0 CEAERO CCCN[C@H](CC[NH+]1CCC(CCC)CC1)C(=O)OC ZINC000062531166 520073952 /nfs/dbraw/zinc/07/39/52/520073952.db2.gz YENGEPHPYUBCPZ-OAHLLOKOSA-N 1 0 284.444 2.430 10 0 CEAERO CCC[NH2+][C@H](CC[N@H+]1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000062443517 520076178 /nfs/dbraw/zinc/07/61/78/520076178.db2.gz WPQQQQKNYFKJOB-FRRDWIJNSA-N 1 0 256.390 2.092 10 0 CEAERO CCCN[C@H](CC[NH+]1[C@@H](C)CCC[C@@H]1C)C(=O)OC ZINC000062443596 520076444 /nfs/dbraw/zinc/07/64/44/520076444.db2.gz PJPSWAZDKIQZRV-MELADBBJSA-N 1 0 270.417 2.181 10 0 CEAERO CCC[NH2+][C@H](CCO[C@@H]1CCCc2ccccc21)C(N)=O ZINC000062544458 520079119 /nfs/dbraw/zinc/07/91/19/520079119.db2.gz IAJCSFVKZOORKX-HZPDHXFCSA-N 1 0 290.407 2.324 10 0 CEAERO CC[NH2+][C@@H](C)c1cnc(N2CCOCC2(C)C)s1 ZINC000054909182 520079429 /nfs/dbraw/zinc/07/94/29/520079429.db2.gz SULUEWVVHMYEST-JTQLQIEISA-N 1 0 269.414 2.429 10 0 CEAERO CC[NH2+][C@@H](C)c1cnc(N2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000054900572 520080666 /nfs/dbraw/zinc/08/06/66/520080666.db2.gz DKRZKOKZVWAHSD-AXFHLTTASA-N 1 0 269.414 2.427 10 0 CEAERO CCN[C@@H](CC[N@H+](C)[C@@H](C)CC(C)C)C(=O)OCC ZINC000062524055 520084833 /nfs/dbraw/zinc/08/48/33/520084833.db2.gz YLEKKYMXRRVXCK-KBPBESRZSA-N 1 0 272.433 2.284 10 0 CEAERO CC[NH2+][C@@H](Cc1ccc(OC)cc1)c1cnccn1 ZINC000069499713 520103393 /nfs/dbraw/zinc/10/33/93/520103393.db2.gz RXJXKSQTPVBGRN-AWEZNQCLSA-N 1 0 257.337 2.379 10 0 CEAERO CC[NH2+][C@@H](c1cc(F)ccc1F)[C@H]1COCCO1 ZINC000055299996 520107585 /nfs/dbraw/zinc/10/75/85/520107585.db2.gz QKNZBDBWQCOIBE-OLZOCXBDSA-N 1 0 257.280 2.031 10 0 CEAERO CCC[NH2+][C@](C)(C[C@@H](C)n1nc(C)c(CC)c1C)C(N)=O ZINC000068649213 520112464 /nfs/dbraw/zinc/11/24/64/520112464.db2.gz XVFMZXOUHIDZSX-BDJLRTHQSA-N 1 0 294.443 2.257 10 0 CEAERO CC[NH2+][C@@H]1CCc2c1cccc2OCC(=O)NC(C)C ZINC000062799788 520121983 /nfs/dbraw/zinc/12/19/83/520121983.db2.gz BZZKOJYHQUCWMX-CQSZACIVSA-N 1 0 276.380 2.187 10 0 CEAERO CC[NH2+][C@@](C)(CCCCn1cnc2ccccc21)C(N)=O ZINC000045434014 520129870 /nfs/dbraw/zinc/12/98/70/520129870.db2.gz QDLWXBXBAUCQLH-INIZCTEOSA-N 1 0 288.395 2.060 10 0 CEAERO CCN[C@@](C)(C[C@@H](C)[N@H+](C)CC1CCCC1)C(=O)OC ZINC000068647001 520139287 /nfs/dbraw/zinc/13/92/87/520139287.db2.gz SVVYLYNBGYLDNV-CJNGLKHVSA-N 1 0 284.444 2.428 10 0 CEAERO CCCNc1ccc(C(=O)N[C@H](C[NH+](C)C)C(C)C)cn1 ZINC000050779703 520151021 /nfs/dbraw/zinc/15/10/21/520151021.db2.gz HBMOMJMGQNECKC-CQSZACIVSA-N 1 0 292.427 2.220 10 0 CEAERO CC[NH2+][C@@](CSc1cccc(OC)c1)(C(N)=O)C1CC1 ZINC000069186427 520158912 /nfs/dbraw/zinc/15/89/12/520158912.db2.gz MYTOMNOBWHMBCS-OAHLLOKOSA-N 1 0 294.420 2.031 10 0 CEAERO CCCNc1ccc(Cl)c(C(=O)NC[C@H](C)[NH+](C)C)n1 ZINC000050779986 520162068 /nfs/dbraw/zinc/16/20/68/520162068.db2.gz FYQASBRHXLDYKT-JTQLQIEISA-N 1 0 298.818 2.237 10 0 CEAERO CCOC[C@H](O)COc1ccc(Cl)cc1[C@H](C)[NH2+]C 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CCCNc1ncccc1C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061655991 520192439 /nfs/dbraw/zinc/19/24/39/520192439.db2.gz BEZHKUGEGJMRHN-CYBMUJFWSA-N 1 0 290.411 2.070 10 0 CEAERO CC[NH2+][C@H]1CCN([C@H](C)c2sc(C)nc2C)C1=O ZINC000049660101 520216244 /nfs/dbraw/zinc/21/62/44/520216244.db2.gz MZUSVKIAEUYHHW-KOLCDFICSA-N 1 0 267.398 2.031 10 0 CEAERO CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1N1CCOCC1 ZINC000054554569 520219248 /nfs/dbraw/zinc/21/92/48/520219248.db2.gz MNBZXXVVVYDTPB-KKUMJFAQSA-N 1 0 254.418 2.121 10 0 CEAERO CC[NH2+][C@H]1COc2cc(O[C@@H](C)C(=O)OCC)ccc21 ZINC000062804636 520221251 /nfs/dbraw/zinc/22/12/51/520221251.db2.gz SNSKZJSMIUCPPH-GWCFXTLKSA-N 1 0 279.336 2.060 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2C[C@@H]1Cc1cnn(C)c1 ZINC000050540785 520223893 /nfs/dbraw/zinc/22/38/93/520223893.db2.gz SDRBBYADEVHNMZ-GOEBONIOSA-N 1 0 255.365 2.486 10 0 CEAERO CCN[C@](C)(CC[NH+]1CCC(C)(C)CC1)C(=O)OC ZINC000061822017 520229820 /nfs/dbraw/zinc/22/98/20/520229820.db2.gz VMTITAUBCFGEMU-OAHLLOKOSA-N 1 0 270.417 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2.220 10 0 CEAERO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[C@H](C)[C@@H]1[NH3+] ZINC000055137056 520419750 /nfs/dbraw/zinc/41/97/50/520419750.db2.gz UJYWFYYAAXHHMC-GUBZILKMSA-N 1 0 266.307 2.161 10 0 CEAERO CCCOc1ccc([C@H](CO)NCC[NH+](CC)CC)cc1 ZINC000052920626 520428861 /nfs/dbraw/zinc/42/88/61/520428861.db2.gz URYKPSMDVIVCQI-KRWDZBQOSA-N 1 0 294.439 2.440 10 0 CEAERO CCCOc1cccc([C@@H](CO)NCC[NH+](CC)CC)c1 ZINC000052921989 520464281 /nfs/dbraw/zinc/46/42/81/520464281.db2.gz QKBXXQPRYCPWAA-QGZVFWFLSA-N 1 0 294.439 2.440 10 0 CEAERO CCCOc1nc(N2CC[C@@H]([NH+](CC)CC)C2)ccc1N ZINC000062975868 520495647 /nfs/dbraw/zinc/49/56/47/520495647.db2.gz VDYVMJJAGCUZLI-CYBMUJFWSA-N 1 0 292.427 2.373 10 0 CEAERO CC1(C)COCCN1c1ccc(C(N)=[NH2+])cc1Cl ZINC000062794131 520508174 /nfs/dbraw/zinc/50/81/74/520508174.db2.gz JSRWPFWCZUOIAD-UHFFFAOYSA-N 1 0 267.760 2.239 10 0 CEAERO CCO[C@H](C[NH3+])CCN(C)c1ccc(C)cc1C ZINC000062741220 520515676 /nfs/dbraw/zinc/51/56/76/520515676.db2.gz BOAAFFGTYQDGJV-AWEZNQCLSA-N 1 0 250.386 2.494 10 0 CEAERO CCN(CC)C(=O)[C@H](C[NH3+])Cc1ccc(F)cc1C ZINC000050568826 520536190 /nfs/dbraw/zinc/53/61/90/520536190.db2.gz OIBABMJQUPJFAD-ZDUSSCGKSA-N 1 0 266.360 2.120 10 0 CEAERO CCC[C@@H](C)NC(=O)Cn1cc(CC[NH3+])c2ccccc21 ZINC000062950752 520657711 /nfs/dbraw/zinc/65/77/11/520657711.db2.gz DIICHRKZONRVPR-CYBMUJFWSA-N 1 0 287.407 2.447 10 0 CEAERO CCC[C@@H](Cn1c(=O)cnc2ccccc21)[NH2+]CC ZINC000050185990 520712829 /nfs/dbraw/zinc/71/28/29/520712829.db2.gz BDDGJOBHQHDUDC-LBPRGKRZSA-N 1 0 259.353 2.175 10 0 CEAERO CCC[C@@H](NC(=O)CN1CCC[NH2+]CC1)c1cccs1 ZINC000061274198 520731609 /nfs/dbraw/zinc/73/16/09/520731609.db2.gz LUSIMCWLICDAQE-CYBMUJFWSA-N 1 0 295.452 2.001 10 0 CEAERO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(NC)cc1 ZINC000050780629 520734207 /nfs/dbraw/zinc/73/42/07/520734207.db2.gz UMIRSHVYGGYIDN-LBPRGKRZSA-N 1 0 263.385 2.188 10 0 CEAERO CCCCOCCOCc1cc(C[NH3+])ccc1OC ZINC000050125953 520791504 /nfs/dbraw/zinc/79/15/04/520791504.db2.gz NHNANYWDFJFWEI-UHFFFAOYSA-N 1 0 267.369 2.487 10 0 CEAERO CCC[C@@H](O)[C@@H](CC)[NH+]1CCN([C@@H](C)CC)CC1 ZINC000055069597 520809521 /nfs/dbraw/zinc/80/95/21/520809521.db2.gz GYQGKPKBUFRFNE-RRFJBIMHSA-N 1 0 256.434 2.342 10 0 CEAERO CCC[C@@H]1CN(CCn2ccnc2C)[C@H](C2CC2)C[NH2+]1 ZINC000068701056 520839207 /nfs/dbraw/zinc/83/92/07/520839207.db2.gz WAMQTHIJICYECN-CVEARBPZSA-N 1 0 276.428 2.044 10 0 CEAERO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(F)c(F)cc2N)C1 ZINC000062975356 520871547 /nfs/dbraw/zinc/87/15/47/520871547.db2.gz MZPUBOIEPAYHCP-JTQLQIEISA-N 1 0 297.349 2.103 10 0 CEAERO CC1CCC(CNC(=O)[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000063147052 520922264 /nfs/dbraw/zinc/92/22/64/520922264.db2.gz NXIXAUGMSUJNJK-YIOUJQMASA-N 1 0 252.402 2.317 10 0 CEAERO CC1CCC(CO)([NH2+]C[C@@H](O)c2cccc(F)c2)CC1 ZINC000053118420 520925734 /nfs/dbraw/zinc/92/57/34/520925734.db2.gz YPTXFRYPQZNQIT-DSSZZKGTSA-N 1 0 281.371 2.390 10 0 CEAERO CC1CCC([N@H+](C)CC[C@H]([NH2+]C2CC2)C(=O)[O-])CC1 ZINC000062525132 520935176 /nfs/dbraw/zinc/93/51/76/520935176.db2.gz BIWLNAFMTVBILF-UBHUBRDASA-N 1 0 268.401 2.092 10 0 CEAERO CC1CCC(NC(=O)[C@@H]2CCC[C@H](C)[C@@H]2[NH3+])CC1 ZINC000055124490 520949135 /nfs/dbraw/zinc/94/91/35/520949135.db2.gz MKIZLLRDJKFUFJ-XTNFGFQESA-N 1 0 252.402 2.445 10 0 CEAERO CCC[C@H](C(=O)NC[C@H](C)c1nccs1)[NH+](C)C ZINC000183508624 520980014 /nfs/dbraw/zinc/98/00/14/520980014.db2.gz RCZRMVIQPFBWDJ-WDEREUQCSA-N 1 0 269.414 2.093 10 0 CEAERO CC[N@H+](CCCC[C@@](C)([NH2+]C1CC1)C(=O)[O-])CC1CC1 ZINC000069239576 521003888 /nfs/dbraw/zinc/00/38/88/521003888.db2.gz VYRMOMGAZDESBD-MRXNPFEDSA-N 1 0 282.428 2.484 10 0 CEAERO CCCC[C@@H](C)[NH2+]Cc1c(OC)ncnc1OC ZINC000050887357 521007255 /nfs/dbraw/zinc/00/72/55/521007255.db2.gz DLLFSKLWFCPIRA-SNVBAGLBSA-N 1 0 253.346 2.162 10 0 CEAERO CCCC[C@@H](CC)COCC[C@@](C)([NH2+]C)C(N)=O ZINC000045474509 521037428 /nfs/dbraw/zinc/03/74/28/521037428.db2.gz VVCHOWXAWFIUEQ-TZMCWYRMSA-N 1 0 258.406 2.073 10 0 CEAERO CC[N@H+](CCCOc1ccccc1)CC(N)=S ZINC000061815855 521040995 /nfs/dbraw/zinc/04/09/95/521040995.db2.gz JACWAGOQBIICTH-UHFFFAOYSA-N 1 0 252.383 2.064 10 0 CEAERO CCCC[C@@H](C[NH2+]C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000052951168 521049442 /nfs/dbraw/zinc/04/94/42/521049442.db2.gz KQESXQXCVJQMOQ-QWHCGFSZSA-N 1 0 261.431 2.226 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000050599589 521099037 /nfs/dbraw/zinc/09/90/37/521099037.db2.gz FXYOZHUSARUDJL-HUUCEWRRSA-N 1 0 260.381 2.378 10 0 CEAERO CCCC[C@@](CC)(C[NH3+])N(C)Cc1nccn1C ZINC000069381007 521121803 /nfs/dbraw/zinc/12/18/03/521121803.db2.gz TYZFVKWUADBEDM-AWEZNQCLSA-N 1 0 252.406 2.150 10 0 CEAERO CC[N@H+](CCOC)Cc1cc2ccc(OC)cc2nc1N ZINC000050816646 521135053 /nfs/dbraw/zinc/13/50/53/521135053.db2.gz MKCKMRCKEYTFES-UHFFFAOYSA-N 1 0 289.379 2.294 10 0 CEAERO CCOC(=O)[C@@](C)(CC[N@H+](CC)CC1CC1)NC(C)C ZINC000069239658 521145475 /nfs/dbraw/zinc/14/54/75/521145475.db2.gz RRFMCMUHFPCHRT-MRXNPFEDSA-N 1 0 284.444 2.428 10 0 CEAERO CCCC[C@H](CC)COCC[C@H]([NH2+]CC)C(N)=O ZINC000062543020 521180175 /nfs/dbraw/zinc/18/01/75/521180175.db2.gz OLVSGHFWKXGMFT-STQMWFEESA-N 1 0 258.406 2.073 10 0 CEAERO CCCC[C@H](CC)COCC[C@H]([NH2+]C(C)C)C(N)=O ZINC000062543073 521180317 /nfs/dbraw/zinc/18/03/17/521180317.db2.gz MDWWFHYAAKXHTH-KBPBESRZSA-N 1 0 272.433 2.461 10 0 CEAERO CCN(C[C@H](C)C[NH3+])C(=O)CCc1ccc(C)cc1 ZINC000052945730 521249639 /nfs/dbraw/zinc/24/96/39/521249639.db2.gz QBRFXWWCAYTDCA-CQSZACIVSA-N 1 0 262.397 2.371 10 0 CEAERO CCCC[C@](CC)(C[NH3+])N(C)Cc1cnn(C)c1 ZINC000069380165 521253082 /nfs/dbraw/zinc/25/30/82/521253082.db2.gz YOSXJWONILGZPW-CQSZACIVSA-N 1 0 252.406 2.150 10 0 CEAERO CC[N@H+](C[C@H](N)c1ccc2c(c1)OCO2)CC1CC1 ZINC000069237623 521259486 /nfs/dbraw/zinc/25/94/86/521259486.db2.gz STZMXPIDTJFXKH-ZDUSSCGKSA-N 1 0 262.353 2.147 10 0 CEAERO CCOc1ccc([C@H]2[C@@H]([NH3+])CCCC(=O)N2C)cc1 ZINC000070292228 521276237 /nfs/dbraw/zinc/27/62/37/521276237.db2.gz SBDHCJDDRIPOIW-ZFWWWQNUSA-N 1 0 262.353 2.096 10 0 CEAERO CCOC(=O)[C@](C)(C[C@H](C)[N@H+](C)C[C@@H]1C[C@@H]1C)NC1CC1 ZINC000068647616 521324213 /nfs/dbraw/zinc/32/42/13/521324213.db2.gz CZKUNCYDFHCRDH-WSMBLCCSSA-N 1 0 296.455 2.427 10 0 CEAERO CCOC(=O)[C@](C[N@H+](C)CC1CCC1)(NC(C)C)C1CC1 ZINC000069231906 521337469 /nfs/dbraw/zinc/33/74/69/521337469.db2.gz CPDFQRWTSBQRKJ-QGZVFWFLSA-N 1 0 296.455 2.428 10 0 CEAERO CCOC(=O)[C@]1(N2CCC[NH2+]CC2)CC[C@@H](C)C[C@@H]1C ZINC000068631390 521358433 /nfs/dbraw/zinc/35/84/33/521358433.db2.gz XUBLNEDIYCQAIF-YCPHGPKFSA-N 1 0 282.428 2.040 10 0 CEAERO CCOc1cccc(C[NH2+]C(C)(C)C)c1OCCC(N)=O ZINC000062732681 521360333 /nfs/dbraw/zinc/36/03/33/521360333.db2.gz RRYYUWBXFFFSJU-UHFFFAOYSA-N 1 0 294.395 2.228 10 0 CEAERO CCN(Cc1ccn(-c2ccccc2)n1)C1CC[NH2+]CC1 ZINC000061641298 521409543 /nfs/dbraw/zinc/40/95/43/521409543.db2.gz DUTRLHKQBFDPSC-UHFFFAOYSA-N 1 0 284.407 2.446 10 0 CEAERO CCOC(=O)c1cc(N)ccc1N[C@@H](C)C[NH+]1CCCC1 ZINC000049189376 521437314 /nfs/dbraw/zinc/43/73/14/521437314.db2.gz SQIAOPPZKMZXLT-LBPRGKRZSA-N 1 0 291.395 2.342 10 0 CEAERO CCOc1ccccc1-c1c[nH]c(C[NH2+]CCOC)n1 ZINC000069236666 521439065 /nfs/dbraw/zinc/43/90/65/521439065.db2.gz PHPHMCXSPPRRED-UHFFFAOYSA-N 1 0 275.352 2.211 10 0 CEAERO CCN1C(=O)C[C@@H]([NH3+])[C@H]1c1ccc2ccccc2c1 ZINC000070293275 521522605 /nfs/dbraw/zinc/52/26/05/521522605.db2.gz MVYDINFBUWENBD-GDBMZVCRSA-N 1 0 254.333 2.460 10 0 CEAERO CCC(CC)N(CCO)C(=O)[C@@H]1CCC[C@@H](CC[NH3+])C1 ZINC000055162927 521551079 /nfs/dbraw/zinc/55/10/79/521551079.db2.gz WZBVJQDXYQNJNZ-UONOGXRCSA-N 1 0 284.444 2.151 10 0 CEAERO CCCN(CC(F)(F)F)[C@H](C)C[NH2+]CCCOC ZINC000053494715 521585438 /nfs/dbraw/zinc/58/54/38/521585438.db2.gz DLDADHDFPDEROI-LLVKDONJSA-N 1 0 270.339 2.275 10 0 CEAERO CCOC(=O)c1csc(N[C@@H]2CCC[N@H+](CC)C2)n1 ZINC000155859294 521595158 /nfs/dbraw/zinc/59/51/58/521595158.db2.gz ONMKKJUTUSRFIV-SNVBAGLBSA-N 1 0 283.397 2.216 10 0 CEAERO CCC[N@H+](CC1CC1)C[C@@](NC1CC1)(C(=O)OC)C1CC1 ZINC000069131896 521625168 /nfs/dbraw/zinc/62/51/68/521625168.db2.gz GJQITBUSMDZYHP-KRWDZBQOSA-N 1 0 294.439 2.182 10 0 CEAERO CCC[N@H+](CC1CC1)C[C@](NC1CC1)(C(=O)OC)C1CC1 ZINC000069131895 521626253 /nfs/dbraw/zinc/62/62/53/521626253.db2.gz GJQITBUSMDZYHP-QGZVFWFLSA-N 1 0 294.439 2.182 10 0 CEAERO CCCn1c(S[C@@H](C[NH3+])c2ccc(C)cc2)n[nH]c1=O ZINC000061594839 521635190 /nfs/dbraw/zinc/63/51/90/521635190.db2.gz IDNUDJUSFGIAHA-LBPRGKRZSA-N 1 0 292.408 2.082 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@@H](C)c2ccccn2)C1 ZINC000068587669 521644739 /nfs/dbraw/zinc/64/47/39/521644739.db2.gz XDINIMKYHOMRQB-KBPBESRZSA-N 1 0 290.411 2.268 10 0 CEAERO CCS(=O)(=O)CC[C@H]1C[C@@H](C(C)C)CC[C@@H]1[NH2+]C ZINC000054630796 521645959 /nfs/dbraw/zinc/64/59/59/521645959.db2.gz PHPQISMXWTUCBQ-IHRRRGAJSA-N 1 0 275.458 2.472 10 0 CEAERO CCCn1cc(NC(=O)CC[C@H]2CCCC[NH2+]2)ccc1=O ZINC000050945693 521654626 /nfs/dbraw/zinc/65/46/26/521654626.db2.gz ZFGRAFZDUWGGRG-CYBMUJFWSA-N 1 0 291.395 2.119 10 0 CEAERO CCC1(C(=O)Nc2cc(OC)cc(OC)c2)CC[NH2+]CC1 ZINC000062847651 521671591 /nfs/dbraw/zinc/67/15/91/521671591.db2.gz VAKGGAFBTDKBBA-UHFFFAOYSA-N 1 0 292.379 2.422 10 0 CEAERO CCNC(=O)CCOc1ccc2c(c1)CCC[C@H]2[NH2+]C ZINC000051757497 521736005 /nfs/dbraw/zinc/73/60/05/521736005.db2.gz KAXXOPXQNRMQPS-OAHLLOKOSA-N 1 0 276.380 2.188 10 0 CEAERO CCNC(=O)COc1cccc(C[NH2+]C(C)(C)C)c1 ZINC000062731262 521738754 /nfs/dbraw/zinc/73/87/54/521738754.db2.gz SXASKTLYUYGNCL-UHFFFAOYSA-N 1 0 264.369 2.090 10 0 CEAERO COc1c(C)ccc(NC(=O)[C@H](C)C2C[NH2+]C2)c1C ZINC000163918866 521801655 /nfs/dbraw/zinc/80/16/55/521801655.db2.gz HBGOEXAYAXRDMW-SNVBAGLBSA-N 1 0 262.353 2.106 10 0 CEAERO C[NH+](C)CCOc1nc(Cl)nc2ccccc21 ZINC000052811390 521805371 /nfs/dbraw/zinc/80/53/71/521805371.db2.gz AHUZSBZLHDCDDV-UHFFFAOYSA-N 1 0 251.717 2.224 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N1CCC[C@@H]1c1ccsc1 ZINC000061317354 521933876 /nfs/dbraw/zinc/93/38/76/521933876.db2.gz NMLVBVKFXIKOBY-LLVKDONJSA-N 1 0 252.383 2.410 10 0 CEAERO C[NH2+]C(C)(C)C(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000061300125 521940672 /nfs/dbraw/zinc/94/06/72/521940672.db2.gz OIQPATMOVVNFMC-UHFFFAOYSA-N 1 0 286.759 2.294 10 0 CEAERO C[NH2+]C(C)(C)C(=O)Nc1cc(OC)c(OC)cc1Cl ZINC000061300910 521941097 /nfs/dbraw/zinc/94/10/97/521941097.db2.gz SZHZRIXXXSVVQF-UHFFFAOYSA-N 1 0 286.759 2.294 10 0 CEAERO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1nc(C)cs1 ZINC000054629149 521955656 /nfs/dbraw/zinc/95/56/56/521955656.db2.gz NHBDHKXAZGBCGV-YOGCLGLASA-N 1 0 251.399 2.166 10 0 CEAERO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2c1nc2c(s1)CCC2 ZINC000054629430 521960113 /nfs/dbraw/zinc/96/01/13/521960113.db2.gz HXDSBBAPWHNMMY-FGWVZKOKSA-N 1 0 263.410 2.351 10 0 CEAERO C[NH2+]CC1(CN(C)c2ccccc2F)CCOCC1 ZINC000052183128 521968773 /nfs/dbraw/zinc/96/87/73/521968773.db2.gz FUAJZMPJYDGTDI-UHFFFAOYSA-N 1 0 266.360 2.278 10 0 CEAERO C[NH2+]CC1CCN(C(=O)c2c[nH]c3ccccc23)CC1 ZINC000063159508 521975102 /nfs/dbraw/zinc/97/51/02/521975102.db2.gz KOVPXXUHIDISTC-UHFFFAOYSA-N 1 0 271.364 2.240 10 0 CEAERO C[NH2+]CCCc1cnn(-c2ccc(C(F)(F)F)cn2)c1 ZINC000054670232 522000948 /nfs/dbraw/zinc/00/09/48/522000948.db2.gz RKHKDEYAAPXXOV-UHFFFAOYSA-N 1 0 284.285 2.438 10 0 CEAERO C[NH2+]CCCc1nnc(-c2ccc3ccccc3n2)o1 ZINC000050616854 522001266 /nfs/dbraw/zinc/00/12/66/522001266.db2.gz YRAHKMCHVIRPTG-UHFFFAOYSA-N 1 0 268.320 2.437 10 0 CEAERO COCCc1ccc(OCc2ccnc(C(N)=[NH2+])c2)cc1 ZINC000068762551 522011306 /nfs/dbraw/zinc/01/13/06/522011306.db2.gz MLRXENDVFLICCE-UHFFFAOYSA-N 1 0 285.347 2.134 10 0 CEAERO C[NH2+]CC[C@H]1CCCCN1Cc1cccc(OC)n1 ZINC000070193556 522018785 /nfs/dbraw/zinc/01/87/85/522018785.db2.gz PPNGBDXVORBVKJ-CQSZACIVSA-N 1 0 263.385 2.054 10 0 CEAERO C[NH2+]CC[C@H]1CCCCN1C(=O)c1ccoc1C ZINC000070191118 522019380 /nfs/dbraw/zinc/01/93/80/522019380.db2.gz NNGUTVCJUUXSRA-GFCCVEGCSA-N 1 0 250.342 2.192 10 0 CEAERO C[NH2+]CCc1noc(-c2cccc(OC(C)C)c2)n1 ZINC000061667129 522022429 /nfs/dbraw/zinc/02/24/29/522022429.db2.gz YCZHVLDTDWBRFI-UHFFFAOYSA-N 1 0 261.325 2.286 10 0 CEAERO CN(C)[C@@H](C[NH2+]C[C@H]1CCCCN1C)c1ccccc1 ZINC000054240047 522028999 /nfs/dbraw/zinc/02/89/99/522028999.db2.gz UJOZRMYVMGNULS-SJORKVTESA-N 1 0 275.440 2.363 10 0 CEAERO C[NH2+]C[C@@H](CC(C)C)[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000052967704 522031337 /nfs/dbraw/zinc/03/13/37/522031337.db2.gz QJVWQSFBPGNOTR-OCCSQVGLSA-N 1 0 281.421 2.439 10 0 CEAERO COCCc1nc(C)c(CC[NH2+]C(C)(C)C)c(C)n1 ZINC000054853933 522032172 /nfs/dbraw/zinc/03/21/72/522032172.db2.gz FXLFCFZCPSHKNX-UHFFFAOYSA-N 1 0 265.401 2.213 10 0 CEAERO C[NH2+]C[C@H](CC(C)C)[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000052967702 522072292 /nfs/dbraw/zinc/07/22/92/522072292.db2.gz QJVWQSFBPGNOTR-JSGCOSHPSA-N 1 0 281.421 2.439 10 0 CEAERO C[NH2+]C[C@H]1Cc2ccccc2CN1c1ccc(F)cn1 ZINC000053664000 522099136 /nfs/dbraw/zinc/09/91/36/522099136.db2.gz CRMXGMZLNRERAA-OAHLLOKOSA-N 1 0 271.339 2.371 10 0 CEAERO C[NH2+]Cc1cc(-n2ccc(C)n2)nc2ccccc12 ZINC000052885142 522104706 /nfs/dbraw/zinc/10/47/06/522104706.db2.gz IBACAZWMVDNUBF-UHFFFAOYSA-N 1 0 252.321 2.448 10 0 CEAERO C[NH2+]Cc1cc(CN2CCO[C@@H]3CCC[C@@H]32)c(C)o1 ZINC000052540362 522108645 /nfs/dbraw/zinc/10/86/45/522108645.db2.gz YSZQNWXSWIYEHQ-LSDHHAIUSA-N 1 0 264.369 2.061 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(Cc2cc(CO)ccc2OC)CC1 ZINC000055069528 522126678 /nfs/dbraw/zinc/12/66/78/522126678.db2.gz DZBUCHVXXSBZAL-CQSZACIVSA-N 1 0 292.423 2.104 10 0 CEAERO C[NH2+]Cc1cnc(-n2nnc3ccccc32)c(Cl)c1 ZINC000051491851 522146770 /nfs/dbraw/zinc/14/67/70/522146770.db2.gz PFXNEBZWTWZXKI-UHFFFAOYSA-N 1 0 273.727 2.188 10 0 CEAERO C[NH2+]Cc1cnn([C@@H]2CCC[C@H]2O)c1-c1ccccc1 ZINC000054599541 522148078 /nfs/dbraw/zinc/14/80/78/522148078.db2.gz HYPPWUMBJOLRRD-HUUCEWRRSA-N 1 0 271.364 2.355 10 0 CEAERO COC(=O)c1ccccc1NC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050942632 522270702 /nfs/dbraw/zinc/27/07/02/522270702.db2.gz PNDWINIEMWHWSF-LBPRGKRZSA-N 1 0 290.363 2.334 10 0 CEAERO CN(C)c1cccc(OCc2ccnc(C(N)=[NH2+])c2)c1 ZINC000068762656 522281942 /nfs/dbraw/zinc/28/19/42/522281942.db2.gz NEHFRQOLCXLHFU-UHFFFAOYSA-N 1 0 270.336 2.011 10 0 CEAERO CC[C@@H](C)[C@@H](C)NC(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000051112891 522296705 /nfs/dbraw/zinc/29/67/05/522296705.db2.gz WSDCDJMVKLHXLW-HTQZYQBOSA-N 1 0 270.764 2.185 10 0 CEAERO CC[C@H]([NH3+])Cc1c(C)nn(C[C@@H]2CCCCO2)c1C ZINC000054741233 522330338 /nfs/dbraw/zinc/33/03/38/522330338.db2.gz ONVFPCPNVDOVNR-KBPBESRZSA-N 1 0 265.401 2.349 10 0 CEAERO CC[C@H]([NH3+])Cc1cnc(Cc2ccccc2F)nc1 ZINC000054858159 522335063 /nfs/dbraw/zinc/33/50/63/522335063.db2.gz JCNHPOONYVJMOW-ZDUSSCGKSA-N 1 0 259.328 2.486 10 0 CEAERO CC[C@H]([NH3+])[C@@H](OCC1CCOCC1)C(F)(F)F ZINC000052150092 522337495 /nfs/dbraw/zinc/33/74/95/522337495.db2.gz PTNGHKOCWAFPKX-VHSXEESVSA-N 1 0 255.280 2.098 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1nnc(C)o1)C(F)(F)F ZINC000051038060 522338993 /nfs/dbraw/zinc/33/89/93/522338993.db2.gz OLAMQNFQPMFJOM-NTSWFWBYSA-N 1 0 255.265 2.138 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1cccc(Cl)c1)N(C)C[C@@H](C)O ZINC000051817417 522339308 /nfs/dbraw/zinc/33/93/08/522339308.db2.gz IKKKPPCNCXGDTB-DDTOSNHZSA-N 1 0 270.804 2.431 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1cnn(C)c1)N1CCC(C)(C)CC1 ZINC000061818331 522342533 /nfs/dbraw/zinc/34/25/33/522342533.db2.gz NRETZMOIWMRXKD-UONOGXRCSA-N 1 0 264.417 2.321 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1cnn(C)c1)n1nc(C)c(Cl)c1C ZINC000050585982 522345502 /nfs/dbraw/zinc/34/55/02/522345502.db2.gz HNNYGHXNEPLJDG-AAEUAGOBSA-N 1 0 281.791 2.214 10 0 CEAERO CN(C)c1ncc(C[NH2+]C[C@@H]2C[C@H]3CC[C@@H]2C3)n1C ZINC000070144257 522346092 /nfs/dbraw/zinc/34/60/92/522346092.db2.gz VMJAQAORPOALMB-XQQFMLRXSA-N 1 0 262.401 2.012 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccncc1)N1CCSC[C@@H]1C ZINC000070219128 522346874 /nfs/dbraw/zinc/34/68/74/522346874.db2.gz GJGJYWHYRFUMMZ-UBHSHLNASA-N 1 0 265.426 2.297 10 0 CEAERO CC[C@H]([NH3+])c1ccccc1OCC(=O)N(C)C1CC1 ZINC000049303792 522348550 /nfs/dbraw/zinc/34/85/50/522348550.db2.gz QHJAVLDPBUUCIR-ZDUSSCGKSA-N 1 0 262.353 2.096 10 0 CEAERO C[NH2+][C@@H](CN1CCN(C)C1=O)c1ccc(C(C)C)cc1 ZINC000052885598 522354424 /nfs/dbraw/zinc/35/44/24/522354424.db2.gz YVYOAXBVAJSVSR-HNNXBMFYSA-N 1 0 275.396 2.438 10 0 CEAERO C[NH2+][C@@H](Cc1cnn(C)c1)Cc1ccc(C)c(C)c1 ZINC000061681630 522361294 /nfs/dbraw/zinc/36/12/94/522361294.db2.gz NIPPLBKFGAEMPK-MRXNPFEDSA-N 1 0 257.381 2.410 10 0 CEAERO C[NH2+][C@@H](Cc1csc(C)n1)CC1CCOCC1 ZINC000055295215 522363077 /nfs/dbraw/zinc/36/30/77/522363077.db2.gz CPFREATZWVOOEE-GFCCVEGCSA-N 1 0 254.399 2.399 10 0 CEAERO C[NH2+][C@@H](c1ccc2c(c1)CCC(=O)N2C)[C@@H]1CCCOC1 ZINC000062806537 522369689 /nfs/dbraw/zinc/36/96/89/522369689.db2.gz JICWTBOXFSGTDD-PBHICJAKSA-N 1 0 288.391 2.283 10 0 CEAERO C[NH2+][C@@H]1CCc2c1cccc2OCc1cnn(C)c1 ZINC000062799064 522398931 /nfs/dbraw/zinc/39/89/31/522398931.db2.gz YYMFCYFOHIVUGP-CQSZACIVSA-N 1 0 257.337 2.206 10 0 CEAERO C[NH2+][C@@H]1COc2cc(O[C@H]3CCCC[C@@H]3O)ccc21 ZINC000062804291 522401543 /nfs/dbraw/zinc/40/15/43/522401543.db2.gz QLDCCDQGOIJWLY-RDBSUJKOSA-N 1 0 263.337 2.022 10 0 CEAERO COc1cc(C[NH2+]C(C)(C)C)ccc1OC[C@H](C)C(N)=O ZINC000062731781 522439310 /nfs/dbraw/zinc/43/93/10/522439310.db2.gz QOALZPACNKKZEC-NSHDSACASA-N 1 0 294.395 2.084 10 0 CEAERO COc1cc(C[NH2+]C(C)(C)C)ccc1O[C@H]1CCOC1=O ZINC000062731802 522439715 /nfs/dbraw/zinc/43/97/15/522439715.db2.gz SYIKGDWIHHYVCX-ZDUSSCGKSA-N 1 0 293.363 2.278 10 0 CEAERO COc1cc(C[NH2+]CC(C)C)cc(OC)c1OCCCO ZINC000062732843 522445079 /nfs/dbraw/zinc/44/50/79/522445079.db2.gz KSGRRBVICKNAPJ-UHFFFAOYSA-N 1 0 297.395 2.211 10 0 CEAERO C[NH2+][C@H](Cc1cnn(C)c1)Cc1cccc(Cl)c1 ZINC000050542569 522475564 /nfs/dbraw/zinc/47/55/64/522475564.db2.gz IKZHFGGHZMAGHP-AWEZNQCLSA-N 1 0 263.772 2.447 10 0 CEAERO CCc1nc2cc(N)ccc2n1[C@H]1CCC[N@H+](C)C1 ZINC000052853667 522490643 /nfs/dbraw/zinc/49/06/43/522490643.db2.gz MQSZIXUQLMFDMX-LBPRGKRZSA-N 1 0 258.369 2.448 10 0 CEAERO C[NH2+][C@H]1CCc2c1cccc2OCC(=O)N1CCCCC1 ZINC000062799399 522504964 /nfs/dbraw/zinc/50/49/64/522504964.db2.gz IZHKRBNUBKYNJH-HNNXBMFYSA-N 1 0 288.391 2.285 10 0 CEAERO C[NH2+][C@](C)(CCCCSc1ccccc1OC)C(N)=O ZINC000045596824 522514310 /nfs/dbraw/zinc/51/43/10/522514310.db2.gz ZGAUDZNWGFFHCX-OAHLLOKOSA-N 1 0 296.436 2.421 10 0 CEAERO C[NH2+][C@](C)(C[C@@H](C)n1cnc2cc(C)c(C)cc21)C(N)=O ZINC000068648741 522524110 /nfs/dbraw/zinc/52/41/10/522524110.db2.gz HZVXDVVRVRMYJH-MLGOLLRUSA-N 1 0 288.395 2.068 10 0 CEAERO CNc1ccc(C(=O)N2CCC(C[NH+](C)C)CC2)cc1 ZINC000050776691 522584877 /nfs/dbraw/zinc/58/48/77/522584877.db2.gz NCEMLPINPVGPMB-UHFFFAOYSA-N 1 0 275.396 2.142 10 0 CEAERO CNc1ccc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1 ZINC000050777074 522593523 /nfs/dbraw/zinc/59/35/23/522593523.db2.gz WERSGHNEGJELON-HNNXBMFYSA-N 1 0 277.412 2.434 10 0 CEAERO COC[C@H](C)N(C)c1ccnc(C[NH2+]C(C)(C)C)c1 ZINC000051482834 522597688 /nfs/dbraw/zinc/59/76/88/522597688.db2.gz NBESAQFDMHHZSJ-LBPRGKRZSA-N 1 0 265.401 2.441 10 0 CEAERO CNc1ccc(C[N@H+](CCO)C2CCCCC2)cn1 ZINC000050816363 522607496 /nfs/dbraw/zinc/60/74/96/522607496.db2.gz SCWYRMRUSAPVTA-UHFFFAOYSA-N 1 0 263.385 2.250 10 0 CEAERO CNc1ccc(CN2CC[NH+](C(C)(C)C)CC2)cn1 ZINC000050817372 522610963 /nfs/dbraw/zinc/61/09/63/522610963.db2.gz FCYXKSVBBYLDCF-UHFFFAOYSA-N 1 0 262.401 2.039 10 0 CEAERO CNc1nc2ccccc2cc1C[N@H+](CCO)C1CC1 ZINC000050817996 522687810 /nfs/dbraw/zinc/68/78/10/522687810.db2.gz FZLGAQQRJBZAQD-UHFFFAOYSA-N 1 0 271.364 2.233 10 0 CEAERO CC[C@H]([NH2+][C@@H]1CC(=O)N(C2CCCC2)C1=O)C(C)C ZINC000049128548 522708756 /nfs/dbraw/zinc/70/87/56/522708756.db2.gz QSQSPRNKPGRKMC-QWHCGFSZSA-N 1 0 266.385 2.081 10 0 CEAERO CC[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1=O)C1CCCCC1 ZINC000052336439 522751222 /nfs/dbraw/zinc/75/12/22/522751222.db2.gz MGUQDKBUWAZNHZ-KBPBESRZSA-N 1 0 278.396 2.225 10 0 CEAERO CC[C@@H]([NH2+]C)c1c(C)nn(C[C@H]2CCCO2)c1C ZINC000054718559 522806197 /nfs/dbraw/zinc/80/61/97/522806197.db2.gz YIUDIICSLFKOLV-CHWSQXEVSA-N 1 0 251.374 2.349 10 0 CEAERO CN(CC[NH2+]Cc1cccs1)[C@H]1CCSC1 ZINC000053379307 522867092 /nfs/dbraw/zinc/86/70/92/522867092.db2.gz YXQJGMQAHFCVNA-NSHDSACASA-N 1 0 256.440 2.275 10 0 CEAERO CN(CC[NH2+]Cc1ccc(O)c(Br)c1)C1CC1 ZINC000062702891 522867440 /nfs/dbraw/zinc/86/74/40/522867440.db2.gz SIKQMLGINUMPTR-UHFFFAOYSA-N 1 0 299.212 2.339 10 0 CEAERO CN(CC[NH2+]CCc1ccsc1)C[C@@H]1CCCCO1 ZINC000053391764 522867579 /nfs/dbraw/zinc/86/75/79/522867579.db2.gz QRQFIAARHPBEAI-HNNXBMFYSA-N 1 0 282.453 2.381 10 0 CEAERO CN(CC[NH2+]C[C@H]1CCOC1)C1CCCCCC1 ZINC000053385429 522868346 /nfs/dbraw/zinc/86/83/46/522868346.db2.gz KQLCEFSVLJCYIR-CQSZACIVSA-N 1 0 254.418 2.267 10 0 CEAERO COc1cc(OC)cc(N2C[C@H](C)C[NH2+]C[C@@H](C)C2)c1 ZINC000049663550 522870248 /nfs/dbraw/zinc/87/02/48/522870248.db2.gz OLWXZMLTFPRQOD-CHWSQXEVSA-N 1 0 278.396 2.386 10 0 CEAERO CC[C@H](Oc1ccc(OC)cc1C[NH2+]CC(C)C)C(N)=O ZINC000062727659 522874581 /nfs/dbraw/zinc/87/45/81/522874581.db2.gz KEQHMCCOMDNECT-AWEZNQCLSA-N 1 0 294.395 2.084 10 0 CEAERO CC[C@H](Oc1cccc(C[NH2+]CC(C)C)c1)C(N)=O ZINC000062731545 522883599 /nfs/dbraw/zinc/88/35/99/522883599.db2.gz YDBNMASPLYOQKX-AWEZNQCLSA-N 1 0 264.369 2.075 10 0 CEAERO CC[C@@H](NS(=O)(=O)C1CC[NH2+]CC1)C1CCCCC1 ZINC000052344070 522898801 /nfs/dbraw/zinc/89/88/01/522898801.db2.gz DNBZSOOCODCJCO-CQSZACIVSA-N 1 0 288.457 2.017 10 0 CEAERO CN(CCOc1cccc(F)c1)C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000062857320 522912744 /nfs/dbraw/zinc/91/27/44/522912744.db2.gz UGBATWMBNIGBIF-INIZCTEOSA-N 1 0 294.370 2.053 10 0 CEAERO COCC1CCN(C(=O)[C@@H]2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000070085068 522930704 /nfs/dbraw/zinc/93/07/04/522930704.db2.gz OJAAWXQVFCROON-DZGCQCFKSA-N 1 0 282.428 2.027 10 0 CEAERO COCC1CC[NH+](C[C@H]2CCCCC[C@@H]2O)CC1 ZINC000070082564 522934963 /nfs/dbraw/zinc/93/49/63/522934963.db2.gz AZRMVJXJAFGNAI-CABCVRRESA-N 1 0 255.402 2.286 10 0 CEAERO COc1cc([C@H](O)[C@H]([NH3+])c2ccccc2)ccc1O ZINC000054681652 522951125 /nfs/dbraw/zinc/95/11/25/522951125.db2.gz PTDDSWKGFXSPGZ-CABCVRRESA-N 1 0 259.305 2.134 10 0 CEAERO COC(=O)CCC[N@H+](C)Cc1ccnc(Cl)c1 ZINC000052718271 523011054 /nfs/dbraw/zinc/01/10/54/523011054.db2.gz QSGUJMMYPOKIQG-UHFFFAOYSA-N 1 0 256.733 2.120 10 0 CEAERO CC[C@@H](Oc1c(C)cc(C[NH2+]C(C)C)cc1C)C(N)=O ZINC000061675691 523036316 /nfs/dbraw/zinc/03/63/16/523036316.db2.gz NELYKEULZZMEEP-CQSZACIVSA-N 1 0 278.396 2.444 10 0 CEAERO CC[C@@H](Oc1ccc(C[NH2+]C(C)C)cc1Cl)C(N)=O ZINC000061676021 523040666 /nfs/dbraw/zinc/04/06/66/523040666.db2.gz NFIZQBDVNGQBIM-GFCCVEGCSA-N 1 0 284.787 2.481 10 0 CEAERO CC[C@@H](Oc1ccc(Cl)cc1[C@H](C)[NH3+])C(N)=O ZINC000061676043 523042838 /nfs/dbraw/zinc/04/28/38/523042838.db2.gz KCPNGWWYHXMWIS-OIBJUYFYSA-N 1 0 256.733 2.002 10 0 CEAERO CN(C[C@@H]1CCCO1)c1cc(Cl)ccc1C[NH3+] ZINC000062786903 523054568 /nfs/dbraw/zinc/05/45/68/523054568.db2.gz UJPHMKPXWKTHFW-LBPRGKRZSA-N 1 0 254.761 2.414 10 0 CEAERO COCc1cccc(OCc2cccnc2C[NH3+])c1 ZINC000070094972 523083288 /nfs/dbraw/zinc/08/32/88/523083288.db2.gz BMVYSMBXDYKTKA-UHFFFAOYSA-N 1 0 258.321 2.266 10 0 CEAERO C[N@H+](C[C@](NC1CC1)(C(N)=O)C1CC1)C1CCCCCC1 ZINC000069100552 523151899 /nfs/dbraw/zinc/15/18/99/523151899.db2.gz WXOIUQKXBYLFPI-QGZVFWFLSA-N 1 0 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ZINC000069132833 523769278 /nfs/dbraw/zinc/76/92/78/523769278.db2.gz YQJHKCNZDMCFDB-YDHLFZDLSA-N 1 0 260.381 2.389 10 0 CEAERO C[N@@H+]1CCCC[C@H]1CNc1ccc(N2CCOCC2)cc1 ZINC000054240272 523800736 /nfs/dbraw/zinc/80/07/36/523800736.db2.gz QIEIKXZSXWRQIU-KRWDZBQOSA-N 1 0 289.423 2.419 10 0 CEAERO COC(=O)[C@@](C)(CC[N@@H+]1CCCC(C)(C)C1)NC1CC1 ZINC000069516757 523815559 /nfs/dbraw/zinc/81/55/59/523815559.db2.gz ZWEKOMWBSPWSLF-MRXNPFEDSA-N 1 0 282.428 2.182 10 0 CEAERO COC(=O)[C@@](C[N@H+](C)CC1CCCC1)(NC(C)C)C1CC1 ZINC000069233267 523823185 /nfs/dbraw/zinc/82/31/85/523823185.db2.gz UFSJQDGLFHHNJL-KRWDZBQOSA-N 1 0 296.455 2.428 10 0 CEAERO CCc1cc(NN)[nH+]c(C2(c3ccccc3)CC2)n1 ZINC000062782176 523824367 /nfs/dbraw/zinc/82/43/67/523824367.db2.gz JQZDJYUVATYOGP-UHFFFAOYSA-N 1 0 254.337 2.405 10 0 CEAERO COc1ccc(C)cc1[C@@H](O)C[NH2+][C@@H](CN(C)C)C(C)C ZINC000049204735 523854445 /nfs/dbraw/zinc/85/44/45/523854445.db2.gz ZDDZKYSCNGAEQC-HOTGVXAUSA-N 1 0 294.439 2.213 10 0 CEAERO COc1ccc(C)cc1[C@@H](O)CN1CCC[C@@H]1C[NH+](C)C ZINC000061652602 523854799 /nfs/dbraw/zinc/85/47/99/523854799.db2.gz XIBPFUGTSLTDSJ-ZBFHGGJFSA-N 1 0 292.423 2.063 10 0 CEAERO COc1ccc(C)cc1[C@@H]([NH3+])c1ccc2[nH]c(=O)oc2c1 ZINC000052943500 523855458 /nfs/dbraw/zinc/85/54/58/523855458.db2.gz CQIZFSLINQRJMS-HNNXBMFYSA-N 1 0 284.315 2.486 10 0 CEAERO CC[C@H](C)CNC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000054473297 523884010 /nfs/dbraw/zinc/88/40/10/523884010.db2.gz IVPWWFSVSBFWMW-LBPRGKRZSA-N 1 0 263.385 2.189 10 0 CEAERO COCC[NH2+]CCCN1CCCc2cc(C)ccc21 ZINC000062367420 523935917 /nfs/dbraw/zinc/93/59/17/523935917.db2.gz AKLZHJJBWPLIGL-UHFFFAOYSA-N 1 0 262.397 2.374 10 0 CEAERO COCC[NH2+]CCCc1c(C)nc(CSC)nc1C ZINC000054837923 523937569 /nfs/dbraw/zinc/93/75/69/523937569.db2.gz UELKAKURVUBXAU-UHFFFAOYSA-N 1 0 283.441 2.125 10 0 CEAERO COCC[NH2+]C[C@@H]1C[C@@]1(C)c1ccc(OC)c(F)c1 ZINC000054598934 523941483 /nfs/dbraw/zinc/94/14/83/523941483.db2.gz IZCPCJRKVZNSCC-WFASDCNBSA-N 1 0 267.344 2.348 10 0 CEAERO COCC[NH2+]C[C@@](O)(c1ccc(Cl)cc1)C1CC1 ZINC000055033648 523942337 /nfs/dbraw/zinc/94/23/37/523942337.db2.gz FHGQIPYOABNROL-AWEZNQCLSA-N 1 0 269.772 2.174 10 0 CEAERO COCC[NH2+]C[C@H](CCOC)Cc1ccccc1OC ZINC000054667564 523943231 /nfs/dbraw/zinc/94/32/31/523943231.db2.gz IMVKAPHNODLJGG-CQSZACIVSA-N 1 0 281.396 2.126 10 0 CEAERO COCC[NH2+]C[C@H]1C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000054598606 523943493 /nfs/dbraw/zinc/94/34/93/523943493.db2.gz MWGGUTWHKPWWRD-CHWSQXEVSA-N 1 0 295.379 2.052 10 0 CEAERO COCC[NH2+]C[C@H]1C[C@@H]1c1cc(OC)c(OC)cc1OC ZINC000054598574 523943583 /nfs/dbraw/zinc/94/35/83/523943583.db2.gz RZHOGQVJWNSION-NEPJUHHUSA-N 1 0 295.379 2.052 10 0 CEAERO CC[C@H](C)[NH+]1CCN(C(=O)c2ccc3c[nH]nc3c2)CC1 ZINC000061670823 523951208 /nfs/dbraw/zinc/95/12/08/523951208.db2.gz IRZQLXNRBLULCZ-LBPRGKRZSA-N 1 0 286.379 2.119 10 0 CEAERO COCC[NH2+]Cc1ccc(-n2cc(C)cn2)cc1C ZINC000062738658 523952114 /nfs/dbraw/zinc/95/21/14/523952114.db2.gz DEYFUUZTZGHKSU-UHFFFAOYSA-N 1 0 259.353 2.225 10 0 CEAERO COCC[NH2+]Cc1cc2ccccc2nc1-n1cccn1 ZINC000062738505 523952129 /nfs/dbraw/zinc/95/21/29/523952129.db2.gz SVIJQJCQXSXGHK-UHFFFAOYSA-N 1 0 282.347 2.157 10 0 CEAERO CC[C@H](C)NC(=O)COc1cc(F)ccc1[C@@H](C)[NH3+] ZINC000062745907 523974075 /nfs/dbraw/zinc/97/40/75/523974075.db2.gz YRXICYFNJXOIFJ-VHSXEESVSA-N 1 0 268.332 2.139 10 0 CEAERO C[N@@H+]1CC[C@H](Nc2ccc(C(N)=S)cc2Cl)C1 ZINC000062795481 523988800 /nfs/dbraw/zinc/98/88/00/523988800.db2.gz NCVYXZRBTCOASM-VIFPVBQESA-N 1 0 269.801 2.090 10 0 CEAERO COC(=O)[C@](C)(C[C@@H](C)[N@H+](C)[C@@H](C)C1CC1)NC(C)C ZINC000068625474 524000564 /nfs/dbraw/zinc/00/05/64/524000564.db2.gz SRJIANJWLPRZNA-WWGRRREGSA-N 1 0 284.444 2.425 10 0 CEAERO COCCOCCN1C[C@H](C(C)C)[NH2+]CC12CCCCC2 ZINC000068704809 524002527 /nfs/dbraw/zinc/00/25/27/524002527.db2.gz GJGBAWNMLHNTOW-MRXNPFEDSA-N 1 0 298.471 2.282 10 0 CEAERO CC[C@H](C)[NH2+]C[C@@H](C)Oc1ccc(S(C)(=O)=O)cc1 ZINC000053589068 524003298 /nfs/dbraw/zinc/00/32/98/524003298.db2.gz LDSPWXRZVAOSPR-NWDGAFQWSA-N 1 0 285.409 2.246 10 0 CEAERO COc1ccc(C[NH3+])cc1OC[C@@](C)(O)c1ccccc1 ZINC000052096839 524016998 /nfs/dbraw/zinc/01/69/98/524016998.db2.gz WUKFRNMNRWJOSJ-QGZVFWFLSA-N 1 0 287.359 2.440 10 0 CEAERO COc1ccc(CN2CC[NH2+][C@H](C(C)C)C2)cc1OC ZINC000068692562 524035035 /nfs/dbraw/zinc/03/50/35/524035035.db2.gz CTFUWAUFPWPNSD-AWEZNQCLSA-N 1 0 278.396 2.134 10 0 CEAERO CCc1ccc([C@H](O)C[N@@H+]2CCC[C@@H]2CN(C)C)cc1 ZINC000061652535 524051688 /nfs/dbraw/zinc/05/16/88/524051688.db2.gz BZIVROXYQUVXQG-IAGOWNOFSA-N 1 0 276.424 2.308 10 0 CEAERO C[C@@H]1CCCCN1C(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000051095400 524094183 /nfs/dbraw/zinc/09/41/83/524094183.db2.gz BLLYSUKGKVFJJG-MRVPVSSYSA-N 1 0 268.748 2.035 10 0 CEAERO COc1cccc([C@@H]([C@H](C)[NH3+])N2CCC[C@@H]2CCCO)c1 ZINC000052757301 524106114 /nfs/dbraw/zinc/10/61/14/524106114.db2.gz CBCHKVVYMLHBKM-YSVLISHTSA-N 1 0 292.423 2.320 10 0 CEAERO COc1ccc(COC[C@@H]2CCC[NH2+]C2)cc1F ZINC000051815348 524117425 /nfs/dbraw/zinc/11/74/25/524117425.db2.gz 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/nfs/dbraw/zinc/29/85/10/524298510.db2.gz ICNOBWMHJWWVDV-CHWSQXEVSA-N 1 0 252.402 2.413 10 0 CEAERO C[C@H](CN1CCCC1)[NH2+]CCCOCC(F)(F)F ZINC000049312458 524316831 /nfs/dbraw/zinc/31/68/31/524316831.db2.gz AZABGZLGARUWIW-LLVKDONJSA-N 1 0 268.323 2.029 10 0 CEAERO Cc1cccc(CC(=O)NCC[C@H]2CCCC[NH2+]2)c1 ZINC000052127754 524342295 /nfs/dbraw/zinc/34/22/95/524342295.db2.gz XPLGWMQKCODXKB-OAHLLOKOSA-N 1 0 260.381 2.186 10 0 CEAERO C[C@@H]1CCC[C@H](C[NH3+])N1CC(=O)NCCC1=CCCCC1 ZINC000070154607 524376037 /nfs/dbraw/zinc/37/60/37/524376037.db2.gz XMYGXLZURFHHDV-GDBMZVCRSA-N 1 0 293.455 2.195 10 0 CEAERO COc1ccc(NC(=O)CC[C@H]2CCCC[NH2+]2)cc1O ZINC000050944836 524483768 /nfs/dbraw/zinc/48/37/68/524483768.db2.gz IAGPSAUHNOEZQR-LLVKDONJSA-N 1 0 278.352 2.262 10 0 CEAERO COc1ccccc1C[C@H](C)[NH2+]Cc1ccncn1 ZINC000054789655 524510284 /nfs/dbraw/zinc/51/02/84/524510284.db2.gz COMIZMJBCRXGRI-LBPRGKRZSA-N 1 0 257.337 2.206 10 0 CEAERO COc1ccccc1Cn1nc(C)c(CC[NH3+])c1C ZINC000054740983 524522829 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C[C@H]1CN(c2cc(C(N)=[NH2+])c3ccccc3n2)CCCO1 ZINC000068798036 524665528 /nfs/dbraw/zinc/66/55/28/524665528.db2.gz XSTTWDSXHXVSSP-NSHDSACASA-N 1 0 284.363 2.134 10 0 CEAERO Cc1ccc(C[C@H](C[NH3+])C(=O)N2CCCC2)c(C)c1 ZINC000050304817 524683317 /nfs/dbraw/zinc/68/33/17/524683317.db2.gz SDVRMIPVOGYGBE-OAHLLOKOSA-N 1 0 260.381 2.043 10 0 CEAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ncc(Cl)n1C ZINC000375791283 524684481 /nfs/dbraw/zinc/68/44/81/524684481.db2.gz LSSAIZUYCQPKML-NWDGAFQWSA-N 1 0 282.819 2.132 10 0 CEAERO COc1ccccc1O[C@H](C)C[C@](C)([NH2+]C(C)C)C(N)=O ZINC000068656618 524691852 /nfs/dbraw/zinc/69/18/52/524691852.db2.gz ACVYOLACYONBGH-WBMJQRKESA-N 1 0 294.395 2.095 10 0 CEAERO COc1ccccc1[C@@H](C)NC(=O)C1(C)CC[NH2+]CC1 ZINC000062841183 524717233 /nfs/dbraw/zinc/71/72/33/524717233.db2.gz LDHOBACYXHKMIH-GFCCVEGCSA-N 1 0 276.380 2.262 10 0 CEAERO C[C@@H](C[NH2+]C1CC1)CN(CC(F)(F)F)C1CC1 ZINC000052503494 524733004 /nfs/dbraw/zinc/73/30/04/524733004.db2.gz UKAIHBOUDHABGG-VIFPVBQESA-N 1 0 250.308 2.401 10 0 CEAERO C[C@H](N(C)C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)C(C)(C)C ZINC000069051877 524813194 /nfs/dbraw/zinc/81/31/94/524813194.db2.gz IYDODICFHHKCKF-CABZTGNLSA-N 1 0 280.334 2.421 10 0 CEAERO C[C@H]([NH3+])Cc1nc([C@@H]2CCCc3ccccc32)no1 ZINC000063157003 524836739 /nfs/dbraw/zinc/83/67/39/524836739.db2.gz QMZWAOHITFKVIF-GXFFZTMASA-N 1 0 257.337 2.428 10 0 CEAERO C[C@H]([NH3+])Cc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000054160930 524837316 /nfs/dbraw/zinc/83/73/16/524837316.db2.gz TZBDHQBOKHKJMN-QMMMGPOBSA-N 1 0 262.334 2.429 10 0 CEAERO C[C@H]([NH3+])[C@H]1CCCCN1Cc1nc2ccccc2[nH]1 ZINC000063195301 524856680 /nfs/dbraw/zinc/85/66/80/524856680.db2.gz WOVUCEAUXKNIPV-SMDDNHRTSA-N 1 0 258.369 2.265 10 0 CEAERO Cc1cccc([C@H](C[NH3+])Sc2ncnc3[nH]cnc32)c1 ZINC000051035976 524881632 /nfs/dbraw/zinc/88/16/32/524881632.db2.gz OEVOMBUOCPDHCG-NSHDSACASA-N 1 0 285.376 2.453 10 0 CEAERO C[C@@H](Cc1c(F)cccc1F)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054307583 524885291 /nfs/dbraw/zinc/88/52/91/524885291.db2.gz YAEDWGRNLGOGJG-RYUDHWBXSA-N 1 0 296.361 2.402 10 0 CEAERO COc1ccc(OC)c([C@H](O)[C@H]([NH3+])Cc2ccccc2)c1 ZINC000054685604 524908284 /nfs/dbraw/zinc/90/82/84/524908284.db2.gz ZNJFUJZJYUTBEP-WBVHZDCISA-N 1 0 287.359 2.307 10 0 CEAERO C[C@@H](Cc1ccco1)[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000062771233 524928713 /nfs/dbraw/zinc/92/87/13/524928713.db2.gz BMEPUEPYYKHEIF-UONOGXRCSA-N 1 0 286.379 2.259 10 0 CEAERO C[C@@H]1CN(CC2(C[NH2+]C3CC3)CCOCC2)CC(C)(C)O1 ZINC000052183156 524933755 /nfs/dbraw/zinc/93/37/55/524933755.db2.gz PNZOKCUMKUCQEO-CQSZACIVSA-N 1 0 296.455 2.035 10 0 CEAERO C[C@H](NC(=O)CC[C@H]1CCCC[NH2+]1)c1cccnc1 ZINC000050942063 524935389 /nfs/dbraw/zinc/93/53/89/524935389.db2.gz YBLYYMRMULTZTH-GXTWGEPZSA-N 1 0 261.369 2.181 10 0 CEAERO C[C@@H]([NH3+])CCc1ccc(OC[C@@H](O)C(F)(F)F)cc1 ZINC000068875679 524997571 /nfs/dbraw/zinc/99/75/71/524997571.db2.gz AVQQQTHVOHHTNJ-BXKDBHETSA-N 1 0 277.286 2.268 10 0 CEAERO C[C@@H]([NH3+])Cc1noc(-c2ccc(Br)cc2)n1 ZINC000054161328 525001492 /nfs/dbraw/zinc/00/14/92/525001492.db2.gz GBKVEHAEGQGGGI-SSDOTTSWSA-N 1 0 282.141 2.389 10 0 CEAERO C[C@@H]([NH3+])[C@H]1CCCCN1Cc1nnc(-c2ccco2)o1 ZINC000063195651 525020364 /nfs/dbraw/zinc/02/03/64/525020364.db2.gz LGQVPYIJHSRBGS-GHMZBOCLSA-N 1 0 276.340 2.031 10 0 CEAERO C[C@@H]([NH3+])c1ccc(Sc2nc(N)cc(N)n2)c(Cl)c1 ZINC000061700314 525029725 /nfs/dbraw/zinc/02/97/25/525029725.db2.gz FMRPUCBDKAHUBY-ZCFIWIBFSA-N 1 0 295.799 2.465 10 0 CEAERO C[C@@H]([NH3+])c1cnc(N2CCN(c3ccccc3)CC2)s1 ZINC000054864484 525032556 /nfs/dbraw/zinc/03/25/56/525032556.db2.gz SAGJFMSXPUBHIL-GFCCVEGCSA-N 1 0 288.420 2.489 10 0 CEAERO COc1ncccc1C(=O)Nc1ccccc1[C@@H](C)[NH3+] ZINC000061442721 525042327 /nfs/dbraw/zinc/04/23/27/525042327.db2.gz XAPRVNNUAZTHCW-SNVBAGLBSA-N 1 0 271.320 2.362 10 0 CEAERO Cc1cc(N2CC[NH+](C(C)(C)C)CC2)nc(Cl)n1 ZINC000052814526 525077368 /nfs/dbraw/zinc/07/73/68/525077368.db2.gz AVIVSTSJEBKEHL-UHFFFAOYSA-N 1 0 268.792 2.359 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H](C)N1Cc1ncc(C(C)(C)C)o1 ZINC000069134613 525103476 /nfs/dbraw/zinc/10/34/76/525103476.db2.gz OVISAGCMXVJQGB-PHIMTYICSA-N 1 0 251.374 2.154 10 0 CEAERO C[C@@H]1COCCN1Cc1occc1C[NH2+]C(C)(C)C ZINC000052475797 525130131 /nfs/dbraw/zinc/13/01/31/525130131.db2.gz BCYJGAADOWRQHR-GFCCVEGCSA-N 1 0 266.385 2.388 10 0 CEAERO CS(=O)(=O)CC[C@H](C[NH2+]C1CC1)Cc1ccccc1F ZINC000052979398 525132727 /nfs/dbraw/zinc/13/27/27/525132727.db2.gz UFRZWRMGOWSHPW-LBPRGKRZSA-N 1 0 299.411 2.171 10 0 CEAERO Cc1ccccc1CS[C@H](C)C(=O)N1CC[NH2+]CC1 ZINC000054964600 525185018 /nfs/dbraw/zinc/18/50/18/525185018.db2.gz HVRZBBHBNTZARZ-CYBMUJFWSA-N 1 0 278.421 2.049 10 0 CEAERO COc1ccc([C@@H](O)[C@@H](C)[N@@H+]2CCC[C@@H]2CN(C)C)cc1 ZINC000061652610 525209792 /nfs/dbraw/zinc/20/97/92/525209792.db2.gz SOHCUEYCVFYGQJ-UNEWFSDZSA-N 1 0 292.423 2.143 10 0 CEAERO C[C@H](NC(=O)c1cccc(CC[NH3+])c1)c1ccccn1 ZINC000053662087 525228810 /nfs/dbraw/zinc/22/88/10/525228810.db2.gz ABRBCHNHTRZVBV-LBPRGKRZSA-N 1 0 269.348 2.074 10 0 CEAERO Cc1cc(NC[C@H]2CC[NH2+]C2)ncc1Br ZINC000163963480 525277228 /nfs/dbraw/zinc/27/72/28/525277228.db2.gz ORJRCXSYUYPHKL-VIFPVBQESA-N 1 0 270.174 2.174 10 0 CEAERO C[C@@H](NC(=O)[C@H](C[NH3+])c1ccccc1)c1ccncc1 ZINC000061611310 525288159 /nfs/dbraw/zinc/28/81/59/525288159.db2.gz RMKYDVWCQUDBST-IUODEOHRSA-N 1 0 269.348 2.001 10 0 CEAERO Cc1cc(N[C@@H](C[NH+](C)C)C(C)C)nc(Cl)n1 ZINC000052814632 525295113 /nfs/dbraw/zinc/29/51/13/525295113.db2.gz KCDRRKRKNUEOGA-JTQLQIEISA-N 1 0 256.781 2.437 10 0 CEAERO C[C@]1([NH2+][C@@H]2CCCc3sccc32)CCS(=O)(=O)C1 ZINC000061326115 525302034 /nfs/dbraw/zinc/30/20/34/525302034.db2.gz PIVHIYDMNQPYEB-YPMHNXCESA-N 1 0 285.434 2.292 10 0 CEAERO Cc1ccccc1O[C@@H](C)C[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000068656368 525320952 /nfs/dbraw/zinc/32/09/52/525320952.db2.gz RSEQDBYOVFERSA-XJKSGUPXSA-N 1 0 278.396 2.394 10 0 CEAERO Cc1ccccc1[C@@H](C)NC(=O)c1ccc(NN)[nH+]c1 ZINC000051119682 525357706 /nfs/dbraw/zinc/35/77/06/525357706.db2.gz XYYZJCDPBJXDAB-LLVKDONJSA-N 1 0 270.336 2.167 10 0 CEAERO COc1ccc([C@H]([NH3+])c2ccc3[nH]c(=O)[nH]c3c2)cc1F ZINC000061668796 525363861 /nfs/dbraw/zinc/36/38/61/525363861.db2.gz WMUBZVFMHPYZPK-AWEZNQCLSA-N 1 0 287.294 2.052 10 0 CEAERO Cc1cc(OCCn2cc(C[NH3+])nn2)cc(C)c1Cl ZINC000052700078 525372507 /nfs/dbraw/zinc/37/25/07/525372507.db2.gz OQEIRODQKLENKI-UHFFFAOYSA-N 1 0 280.759 2.086 10 0 CEAERO COc1ccc([C@H](O)C[NH2+]C(C)(C)C)c(OC)c1OC ZINC000055029641 525377607 /nfs/dbraw/zinc/37/76/07/525377607.db2.gz SMWGYQJSZGYJHJ-LLVKDONJSA-N 1 0 283.368 2.134 10 0 CEAERO Cc1cc(S[C@H](CC[NH3+])C(F)(F)F)n(C)n1 ZINC000052310609 525440331 /nfs/dbraw/zinc/44/03/31/525440331.db2.gz FFPHFOUWBNZAOX-SSDOTTSWSA-N 1 0 253.293 2.100 10 0 CEAERO Cc1cc(Sc2nc(C)cc(C)c2C(N)=[NH2+])n(C)n1 ZINC000052310052 525441671 /nfs/dbraw/zinc/44/16/71/525441671.db2.gz GYOLBSOLQONKHB-UHFFFAOYSA-N 1 0 275.381 2.176 10 0 CEAERO COc1ccc([C@]2(C)C[C@@H]([NH3+])CCO2)cc1OC ZINC000070341645 525445020 /nfs/dbraw/zinc/44/50/20/525445020.db2.gz VVLGGXSCLMPTGZ-FZMZJTMJSA-N 1 0 251.326 2.057 10 0 CEAERO Cc1nc[nH]c1CNC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000054794232 525460967 /nfs/dbraw/zinc/46/09/67/525460967.db2.gz KSCJIGFVKPPBEF-UHFFFAOYSA-N 1 0 250.390 2.117 10 0 CEAERO Cc1ccc(O[C@@H](C)C[C@@](C)([NH2+]C2CC2)C(N)=O)cc1 ZINC000068653504 525462406 /nfs/dbraw/zinc/46/24/06/525462406.db2.gz BIVJDVVDULJDRB-BLLLJJGKSA-N 1 0 276.380 2.148 10 0 CEAERO Cc1nc[nH]c1C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000054795138 525463041 /nfs/dbraw/zinc/46/30/41/525463041.db2.gz QQUNUJAQNLMEFO-SECBINFHSA-N 1 0 259.309 2.298 10 0 CEAERO CSCCC[NH2+]C[C@H](O)CO[C@H](C)CC(C)C ZINC000069446384 525476597 /nfs/dbraw/zinc/47/65/97/525476597.db2.gz VQUDKACIZBYCKL-OLZOCXBDSA-N 1 0 263.447 2.141 10 0 CEAERO Cc1cccnc1-c1noc([C@]2(C)CCC[NH2+]C2)n1 ZINC000062872326 525477167 /nfs/dbraw/zinc/47/71/67/525477167.db2.gz ORNUPRQOXBYUJL-CQSZACIVSA-N 1 0 258.325 2.081 10 0 CEAERO Cc1cc([C@@H](C[NH3+])N(C)C[C@@H]2CCCO2)ccc1F ZINC000050546296 525481163 /nfs/dbraw/zinc/48/11/63/525481163.db2.gz BXBDOGMSOHOSTA-DZGCQCFKSA-N 1 0 266.360 2.245 10 0 CEAERO CSCCC[NH2+][C@@H](C)C(=O)Nc1ccccc1 ZINC000069447149 525482010 /nfs/dbraw/zinc/48/20/10/525482010.db2.gz MZLORZWZPAQHTB-NSHDSACASA-N 1 0 252.383 2.356 10 0 CEAERO COc1ccc2c(c1)CCC[C@]2(O)C[NH2+]CC(C)C ZINC000055030167 525523514 /nfs/dbraw/zinc/52/35/14/525523514.db2.gz CVLPJPLSVDYVDU-INIZCTEOSA-N 1 0 263.381 2.465 10 0 CEAERO Cc1cccnc1NC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000052881309 525542038 /nfs/dbraw/zinc/54/20/38/525542038.db2.gz RYHZAWJCBSVBEK-OAHLLOKOSA-N 1 0 255.321 2.203 10 0 CEAERO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1O)c1cccnc1 ZINC000181420457 525590677 /nfs/dbraw/zinc/59/06/77/525590677.db2.gz ITAUSKGGBSVNRG-XZJROXQQSA-N 1 0 254.333 2.391 10 0 CEAERO CSC[C@@H](C)C[NH2+][C@@H](C)C(=O)N1CCCCCC1 ZINC000069448124 525624325 /nfs/dbraw/zinc/62/43/25/525624325.db2.gz QAZMYQLHTCFWOG-STQMWFEESA-N 1 0 272.458 2.366 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)NCCC1CCCC1 ZINC000055130603 525663365 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Cc1ccc(C(=O)N(CCC[NH3+])CC(C)C)c(C)n1 ZINC000055329969 526071120 /nfs/dbraw/zinc/07/11/20/526071120.db2.gz BPIAOENXADAOAR-UHFFFAOYSA-N 1 0 263.385 2.145 10 0 CEAERO C[C@H](C(=O)Nc1ccc(Cl)c(F)c1)C1C[NH2+]C1 ZINC000164034054 526134633 /nfs/dbraw/zinc/13/46/33/526134633.db2.gz PFKNTTQSYSZGLZ-ZETCQYMHSA-N 1 0 256.708 2.273 10 0 CEAERO Cc1ccc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1O ZINC000049560316 526210919 /nfs/dbraw/zinc/21/09/19/526210919.db2.gz WJOBGBWFQHYTKH-CQSZACIVSA-N 1 0 278.396 2.407 10 0 CEAERO Cc1ccc2nc(C[N@@H+]3CCC[C@@H]3CCCO)cn2c1 ZINC000052763067 526246899 /nfs/dbraw/zinc/24/68/99/526246899.db2.gz QBWRDRKCYXZJNH-OAHLLOKOSA-N 1 0 273.380 2.380 10 0 CEAERO O[C@H](C[NH2+]Cc1cc2c(s1)CCC2)C(F)(F)F ZINC000068879447 526277252 /nfs/dbraw/zinc/27/72/52/526277252.db2.gz SOOGJLYXWNBWLO-SNVBAGLBSA-N 1 0 265.300 2.250 10 0 CEAERO Cc1nn(CC[NH2+]C(C)C)c(C)c1Br ZINC000050593322 526280798 /nfs/dbraw/zinc/28/07/98/526280798.db2.gz QQVPUYRADZYPMJ-UHFFFAOYSA-N 1 0 260.179 2.260 10 0 CEAERO 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CEAERO O=C(CC[N@H+]1CC[C@H](O)C1)c1ccc(Br)cc1 ZINC000061711715 526493797 /nfs/dbraw/zinc/49/37/97/526493797.db2.gz RULGZBVKAZTCAA-LBPRGKRZSA-N 1 0 298.180 2.089 10 0 CEAERO c1cn(CCCN2CC[NH2+][C@@H](C3CCCCC3)C2)cn1 ZINC000068693958 526530792 /nfs/dbraw/zinc/53/07/92/526530792.db2.gz AZYPXQLAWZYLMP-MRXNPFEDSA-N 1 0 276.428 2.127 10 0 CEAERO O=C(CC[C@@H]1CCCC[NH2+]1)N1CCOc2ccccc21 ZINC000050950408 526546939 /nfs/dbraw/zinc/54/69/39/526546939.db2.gz FXGQMNSPDFIXRN-ZDUSSCGKSA-N 1 0 274.364 2.334 10 0 CEAERO O=C(CC[C@@H]1CCCCO1)N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000069398914 526550013 /nfs/dbraw/zinc/55/00/13/526550013.db2.gz DYOURRLQEDSIMJ-SOUVJXGZSA-N 1 0 280.412 2.079 10 0 CEAERO c1csc(Cc2noc(C[C@H]3CCC[NH2+]C3)n2)c1 ZINC000054301669 526583276 /nfs/dbraw/zinc/58/32/76/526583276.db2.gz DLOHYDRPCZEVCA-SNVBAGLBSA-N 1 0 263.366 2.264 10 0 CEAERO Cc1nc(-c2cccnc2)nc(C)c1CC[NH2+]C1CC1 ZINC000054853869 526610596 /nfs/dbraw/zinc/61/05/96/526610596.db2.gz DDHYAJGNGZGJPJ-UHFFFAOYSA-N 1 0 268.364 2.450 10 0 CEAERO O=C(c1cccn1C1CC[NH2+]CC1)N1C[C@@H]2CC[C@H]1C2 ZINC000054443873 526816958 /nfs/dbraw/zinc/81/69/58/526816958.db2.gz UIBDSTOJCRMKBR-OCCSQVGLSA-N 1 0 273.380 2.037 10 0 CEAERO O=C(C[NH2+]C1CCCC1)Nc1nc2c(s1)CCC2 ZINC000049547742 526876873 /nfs/dbraw/zinc/87/68/73/526876873.db2.gz IUVYXZSRYADPFH-UHFFFAOYSA-N 1 0 265.382 2.103 10 0 CEAERO O=C(C[NH2+][C@@H]1CCCc2sccc21)NC1CCOCC1 ZINC000062768888 526889595 /nfs/dbraw/zinc/88/95/95/526889595.db2.gz OUTMJEWEKOCYFW-CYBMUJFWSA-N 1 0 294.420 2.010 10 0 CEAERO Cc1nc(CNC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c[nH]1 ZINC000054822436 526890006 /nfs/dbraw/zinc/89/00/06/526890006.db2.gz AAMVFKHRCWEBCH-DOMZBBRYSA-N 1 0 264.417 2.318 10 0 CEAERO Cc1nc(COc2cc(F)ccc2[C@H](C)[NH3+])no1 ZINC000062745347 526905429 /nfs/dbraw/zinc/90/54/29/526905429.db2.gz UFGKPUDKYHCRKH-ZETCQYMHSA-N 1 0 251.261 2.116 10 0 CEAERO Cc1nc(COc2cc(F)ccc2[C@@H](C)[NH3+])no1 ZINC000062745346 526905796 /nfs/dbraw/zinc/90/57/96/526905796.db2.gz UFGKPUDKYHCRKH-SSDOTTSWSA-N 1 0 251.261 2.116 10 0 CEAERO Cc1nc(C[C@@H]2CCCO2)nc(C)c1CC[NH2+]C(C)C ZINC000054853813 526920053 /nfs/dbraw/zinc/92/00/53/526920053.db2.gz VTAUXBHOGRIFOL-AWEZNQCLSA-N 1 0 277.412 2.355 10 0 CEAERO Cc1nc(C[C@H]([NH3+])c2ccc3c(c2)OCCO3)cs1 ZINC000055294725 526922100 /nfs/dbraw/zinc/92/21/00/526922100.db2.gz DYDIALFNGROSDU-LBPRGKRZSA-N 1 0 276.361 2.465 10 0 CEAERO Cc1nc(Cc2ccc(F)cc2)nc(C)c1CC[NH3+] ZINC000054836650 526927377 /nfs/dbraw/zinc/92/73/77/526927377.db2.gz JPHFDOLUBBBGSY-UHFFFAOYSA-N 1 0 259.328 2.325 10 0 CEAERO Cc1nc(N(C)C)nc(C)c1[C@@H](C)C[NH2+]C(C)C ZINC000054854996 526948035 /nfs/dbraw/zinc/94/80/35/526948035.db2.gz UGSDTIYMZICYOG-JTQLQIEISA-N 1 0 250.390 2.261 10 0 CEAERO Cc1nc(N)sc1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000055175148 526954824 /nfs/dbraw/zinc/95/48/24/526954824.db2.gz CPEWOMPLCBWPKP-UHFFFAOYSA-N 1 0 296.440 2.073 10 0 CEAERO Cc1nc(N2CCCCC2)nc(C)c1CC[NH2+]C1CC1 ZINC000054853887 526964598 /nfs/dbraw/zinc/96/45/98/526964598.db2.gz GTVYTKCIWHXIHD-UHFFFAOYSA-N 1 0 274.412 2.378 10 0 CEAERO NC(=O)[C@@]([NH3+])(CSc1ccc(Cl)cc1)C1CC1 ZINC000069185450 526988691 /nfs/dbraw/zinc/98/86/91/526988691.db2.gz FJKGOWVIAQKJSG-GFCCVEGCSA-N 1 0 270.785 2.025 10 0 CEAERO O=C1CCc2ccc(F)cc2N1CC[C@H]1CCC[NH2+]C1 ZINC000051919739 526999203 /nfs/dbraw/zinc/99/92/03/526999203.db2.gz STSZBEJFZSIFRN-GFCCVEGCSA-N 1 0 276.355 2.495 10 0 CEAERO NC(=O)c1ccc(Cl)cc1N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000062785876 527053634 /nfs/dbraw/zinc/05/36/34/527053634.db2.gz MURNSEJUJHJEIS-STQMWFEESA-N 1 0 293.798 2.160 10 0 CEAERO NC(=O)c1ccc(OCC[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000062791691 527072890 /nfs/dbraw/zinc/07/28/90/527072890.db2.gz OMNODWIWNAFPFV-SNVBAGLBSA-N 1 0 282.771 2.207 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)N1CCc2sccc2C1 ZINC000054305489 527119339 /nfs/dbraw/zinc/11/93/39/527119339.db2.gz MFELOUWGKKUYLX-NSHDSACASA-N 1 0 264.394 2.023 10 0 CEAERO [NH3+]C1CCC([S@@](=O)c2cc(F)ccc2F)CC1 ZINC000055144883 527143269 /nfs/dbraw/zinc/14/32/69/527143269.db2.gz UEPMHIZFTBMQLL-MQXQTZMCSA-N 1 0 259.321 2.342 10 0 CEAERO Cc1nc2ccccc2nc1OC[C@@H]1CCCC[NH2+]1 ZINC000052099707 527174569 /nfs/dbraw/zinc/17/45/69/527174569.db2.gz XCVBLRXEDQTRKI-LBPRGKRZSA-N 1 0 257.337 2.459 10 0 CEAERO [NH3+]CCCN(C(=O)CC[C@@H]1CCCCO1)C1CCCC1 ZINC000069383343 527176874 /nfs/dbraw/zinc/17/68/74/527176874.db2.gz CNYUOJCEOIXIJZ-HNNXBMFYSA-N 1 0 282.428 2.456 10 0 CEAERO [NH3+]CCCN(C(=O)[C@@H]1CCCc2ccccc21)C1CC1 ZINC000054668343 527177764 /nfs/dbraw/zinc/17/77/64/527177764.db2.gz DGBJAYNJRPDYPO-MRXNPFEDSA-N 1 0 272.392 2.446 10 0 CEAERO Cc1nc2ccccn2c1CN[C@@H](C)CC[NH+](C)C ZINC000049554055 527179392 /nfs/dbraw/zinc/17/93/92/527179392.db2.gz ZTWXGKBIFHNWRF-LBPRGKRZSA-N 1 0 260.385 2.073 10 0 CEAERO [NH3+]CCCS(=O)(=O)Nc1cccc(Cl)c1Cl ZINC000048276853 527181442 /nfs/dbraw/zinc/18/14/42/527181442.db2.gz GGUYAIUWYFLCOD-UHFFFAOYSA-N 1 0 283.180 2.084 10 0 CEAERO Cn1cc(CC2(C[NH2+]C(C)(C)C)CCOCC2)cn1 ZINC000061674488 527181929 /nfs/dbraw/zinc/18/19/29/527181929.db2.gz YHCHNXLDAYRTNN-UHFFFAOYSA-N 1 0 265.401 2.148 10 0 CEAERO [NH3+]CCCc1nnc([C@@H]2CCCc3ccccc32)o1 ZINC000054669747 527183412 /nfs/dbraw/zinc/18/34/12/527183412.db2.gz YBLLNIKKIYDRLT-CYBMUJFWSA-N 1 0 257.337 2.429 10 0 CEAERO [NH3+]CCc1ccnc(-c2ccc3ncccc3c2)n1 ZINC000062802657 527197566 /nfs/dbraw/zinc/19/75/66/527197566.db2.gz CSTSKDSEWSSNDT-UHFFFAOYSA-N 1 0 250.305 2.193 10 0 CEAERO [NH3+]CCc1ccc2cc(Br)ccc2n1 ZINC000062624121 527197999 /nfs/dbraw/zinc/19/79/99/527197999.db2.gz RPJQYJPOLINIRW-UHFFFAOYSA-N 1 0 251.127 2.499 10 0 CEAERO Cc1nc2sccn2c1C[NH2+]CCN1CCCCC1 ZINC000049574883 527210083 /nfs/dbraw/zinc/21/00/83/527210083.db2.gz LGDAJGWWPIGGOR-UHFFFAOYSA-N 1 0 278.425 2.280 10 0 CEAERO [NH3+]C[C@@H]1C[C@H]1c1cc(Br)c2c(c1)OCCO2 ZINC000054586944 527220368 /nfs/dbraw/zinc/22/03/68/527220368.db2.gz ZBFRLLHVNDLLBG-IUCAKERBSA-N 1 0 284.153 2.283 10 0 CEAERO [NH3+]C[C@@]1(Cc2cc(Br)ccc2F)CCOC1 ZINC000054637566 527222179 /nfs/dbraw/zinc/22/21/79/527222179.db2.gz CVDUUPGZDRSNNS-LBPRGKRZSA-N 1 0 288.160 2.496 10 0 CEAERO [NH3+]C[C@H](C(=O)Nc1ccc2c[nH]nc2c1)c1ccccc1 ZINC000061611784 527224242 /nfs/dbraw/zinc/22/42/42/527224242.db2.gz JNPGNMIZLAVNOF-AWEZNQCLSA-N 1 0 280.331 2.244 10 0 CEAERO [NH3+]C[C@H](NC(=O)CC[C@@H]1CCCCO1)c1ccccc1 ZINC000069405598 527226442 /nfs/dbraw/zinc/22/64/42/527226442.db2.gz CQWQUWKPAOKBSE-GJZGRUSLSA-N 1 0 276.380 2.152 10 0 CEAERO [NH3+]C[C@H](c1nc(CC(F)(F)F)no1)c1ccccc1 ZINC000061609422 527230616 /nfs/dbraw/zinc/23/06/16/527230616.db2.gz FAROHEOXTQJNTK-VIFPVBQESA-N 1 0 271.242 2.265 10 0 CEAERO [NH3+]C[C@]1(N2CCc3sccc3C2)CCCSC1 ZINC000061589860 527243922 /nfs/dbraw/zinc/24/39/22/527243922.db2.gz FBHNBQQWOBTQAQ-CYBMUJFWSA-N 1 0 268.451 2.331 10 0 CEAERO [NH3+]Cc1ccc(Sc2nnc3ccccn32)cc1 ZINC000061407108 527257643 /nfs/dbraw/zinc/25/76/43/527257643.db2.gz NBLFCETVFQVOSS-UHFFFAOYSA-N 1 0 256.334 2.339 10 0 CEAERO [NH3+]Cc1nc(N2CCCSCC2)ccc1Cl ZINC000051398167 527264948 /nfs/dbraw/zinc/26/49/48/527264948.db2.gz RTDQAYFXKQQTCF-UHFFFAOYSA-N 1 0 257.790 2.137 10 0 CEAERO [NH3+]Cc1ncccc1CN(CC(F)(F)F)C1CC1 ZINC000061656865 527265923 /nfs/dbraw/zinc/26/59/23/527265923.db2.gz VIDMLRBZWQNNEY-UHFFFAOYSA-N 1 0 259.275 2.067 10 0 CEAERO NNc1cc(C(=O)N2CCC[C@H]3CCCC[C@H]32)cc[nH+]1 ZINC000051090910 527271554 /nfs/dbraw/zinc/27/15/54/527271554.db2.gz HLMQGXOTZJWSMF-DGCLKSJQSA-N 1 0 274.368 2.162 10 0 CEAERO [NH3+][C@@H](CC[C@H]1CCCCO1)c1ccc2c(c1)NC(=O)CO2 ZINC000069389835 527331369 /nfs/dbraw/zinc/33/13/69/527331369.db2.gz XDLHIFCCRPBYCS-OLZOCXBDSA-N 1 0 290.363 2.367 10 0 CEAERO [NH3+][C@@H](Cc1ncc[nH]1)Cc1cccc(Br)c1 ZINC000050040448 527337712 /nfs/dbraw/zinc/33/77/12/527337712.db2.gz OXJWMDSIFLVBSO-LLVKDONJSA-N 1 0 280.169 2.285 10 0 CEAERO [NH3+][C@H]1CCCCC[C@H]1NC(=O)CC[C@@H]1CCCCO1 ZINC000069399199 527395576 /nfs/dbraw/zinc/39/55/76/527395576.db2.gz QFUUIVJNQFRKMX-MELADBBJSA-N 1 0 268.401 2.112 10 0 CEAERO Nc1cc(F)ccc1CN1CC[NH+](C2CCCC2)CC1 ZINC000069399748 527454796 /nfs/dbraw/zinc/45/47/96/527454796.db2.gz TZJKDOZUACOMAQ-UHFFFAOYSA-N 1 0 277.387 2.468 10 0 CEAERO Cc1ncn(C[C@@H]2CC[C@H](C[NH2+]C(C)C)O2)c1C ZINC000052593707 527462681 /nfs/dbraw/zinc/46/26/81/527462681.db2.gz ABWAYMIONNMXBR-KGLIPLIRSA-N 1 0 251.374 2.046 10 0 CEAERO OCCC[C@H]1CCC[N@@H+]1CCCOCC(F)(F)F ZINC000052762365 527546666 /nfs/dbraw/zinc/54/66/66/527546666.db2.gz BQMCWXGCCHQVGU-LLVKDONJSA-N 1 0 269.307 2.192 10 0 CEAERO Nc1snnc1C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000050815620 527581419 /nfs/dbraw/zinc/58/14/19/527581419.db2.gz UJHNILRKGAWCRF-LLVKDONJSA-N 1 0 252.387 2.275 10 0 CEAERO O[C@@H](C[NH2+]CCSc1ccccc1)C(F)(F)F ZINC000068879288 527651628 /nfs/dbraw/zinc/65/16/28/527651628.db2.gz VECVTDWKVMLOPR-JTQLQIEISA-N 1 0 265.300 2.292 10 0 CEAERO Cc1nn(C)c(Oc2cccc(F)c2F)c1C[NH3+] ZINC000062616418 527680725 /nfs/dbraw/zinc/68/07/25/527680725.db2.gz JLLVZGOEKGYIGA-UHFFFAOYSA-N 1 0 253.252 2.258 10 0 CEAERO CCCc1ccc(S(=O)(=O)N[C@](C)(C[NH3+])C2CC2)cc1 ZINC000133761151 528626821 /nfs/dbraw/zinc/62/68/21/528626821.db2.gz ODVFPECMCKXPMB-OAHLLOKOSA-N 1 0 296.436 2.045 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1csc(C(=O)OC)c1 ZINC000411307609 529069935 /nfs/dbraw/zinc/06/99/35/529069935.db2.gz NCLQCDCZWXBDEJ-CYBMUJFWSA-N 1 0 296.436 2.451 10 0 CEAERO CCSCc1ccnc(NC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000236866591 529201692 /nfs/dbraw/zinc/20/16/92/529201692.db2.gz RGHJJSUZEUTPCO-NSHDSACASA-N 1 0 265.382 2.025 10 0 CEAERO C[NH2+][C@@H](C)[C@H]1CCCN(c2nncc3ccccc32)C1 ZINC000111716814 536350852 /nfs/dbraw/zinc/35/08/52/536350852.db2.gz QUTYCIKKTYNUFD-JSGCOSHPSA-N 1 0 270.380 2.454 10 0 CEAERO C[NH2+][C@@H]1CCCN(c2c3nsnc3ccc2Cl)C1=O ZINC000088128062 536365500 /nfs/dbraw/zinc/36/55/00/536365500.db2.gz JSSUWYGUNRAEOD-SECBINFHSA-N 1 0 296.783 2.060 10 0 CEAERO C[N@@H+]1CCC[C@H](Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000086817353 536388040 /nfs/dbraw/zinc/38/80/40/536388040.db2.gz AAWRWBPOZAHMQZ-HNNXBMFYSA-N 1 0 289.423 2.419 10 0 CEAERO COCCN1CC[C@H]([NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000238855693 570319752 /nfs/dbraw/zinc/31/97/52/570319752.db2.gz SRFNNMNKCZZXJY-QWHCGFSZSA-N 1 0 272.751 2.200 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000675059562 570365431 /nfs/dbraw/zinc/36/54/31/570365431.db2.gz IWPNGNLXWLBTBK-YNEHKIRRSA-N 1 0 268.401 2.489 10 0 CEAERO C[C@@H](NC(=O)c1ccc(C[NH3+])o1)c1cccs1 ZINC000094565249 574492978 /nfs/dbraw/zinc/49/29/78/574492978.db2.gz SGUANAIOMFMMFX-MRVPVSSYSA-N 1 0 250.323 2.291 10 0 CEAERO Fc1ccccc1[C@@H]1CCO[C@]2(CCCOC2)N1 ZINC000757142114 574510293 /nfs/dbraw/zinc/51/02/93/574510293.db2.gz BAGCAJLHBVNOCX-KBPBESRZSA-N 1 0 251.301 2.383 10 0 CEAERO CC(C)[C@@H]1[NH2+][C@@]2(CN3CCC2CC3)OCC1(C)C ZINC000757142327 574510328 /nfs/dbraw/zinc/51/03/28/574510328.db2.gz DADAYLPOJPWMBV-ZFWWWQNUSA-N 1 0 252.402 2.079 10 0 CEAERO CC1(C)CC2(CC(C)(C)[NH2+]1)NC[C@@H]1CCC[C@@H]1O2 ZINC000757146219 574510395 /nfs/dbraw/zinc/51/03/95/574510395.db2.gz RGVOEHIUHASSRE-RYUDHWBXSA-N 1 0 252.402 2.412 10 0 CEAERO CC[C@](C)(C[NH3+])[C@@H](O)c1cnn(Cc2ccccc2)c1 ZINC000394456238 570282175 /nfs/dbraw/zinc/28/21/75/570282175.db2.gz RICSRCDEILZRKK-JKSUJKDBSA-N 1 0 273.380 2.340 10 0 CEAERO C[C@@H]1CN(C(=O)Cc2ccc3ccccc3c2)C[C@H]1[NH3+] ZINC000235403735 625398164 /nfs/dbraw/zinc/39/81/64/625398164.db2.gz BZQVPWUIXRIXSX-MLGOLLRUSA-N 1 0 268.360 2.188 10 0 CEAERO Cc1nc(NC[C@@H]([NH3+])C2CC2)ccc1Br ZINC000235949304 625577779 /nfs/dbraw/zinc/57/77/79/625577779.db2.gz UNJLWCTZATXRBL-SNVBAGLBSA-N 1 0 270.174 2.302 10 0 CEAERO C1CCC2(CC1)CCO[C@@]1(CN3CCC1CC3)[NH2+]2 ZINC000757152637 622934240 /nfs/dbraw/zinc/93/42/40/622934240.db2.gz TUKZJSAZXVJDDB-OAHLLOKOSA-N 1 0 250.386 2.121 10 0 CEAERO CN(C)c1ccc([C@H]2C[NH2+]C[C@H]2C(=O)OC(C)(C)C)cc1 ZINC000757184747 622957152 /nfs/dbraw/zinc/95/71/52/622957152.db2.gz MYJXKBXDBAHUQH-HUUCEWRRSA-N 1 0 290.407 2.397 10 0 CEAERO CN(C)c1ccc([C@H]2C[NH2+]C[C@@H]2C(=O)OC(C)(C)C)cc1 ZINC000757184744 622957339 /nfs/dbraw/zinc/95/73/39/622957339.db2.gz MYJXKBXDBAHUQH-CABCVRRESA-N 1 0 290.407 2.397 10 0 CEAERO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(C)cc1Br ZINC000757184757 622957410 /nfs/dbraw/zinc/95/74/10/622957410.db2.gz NCJDKBAAFOUYJC-WDEREUQCSA-N 1 0 298.180 2.234 10 0 CEAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(Cl)cn1 ZINC000757189890 622961728 /nfs/dbraw/zinc/96/17/28/622961728.db2.gz OGSRUBBKCKLEAZ-MNOVXSKESA-N 1 0 282.771 2.380 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cn1cnc(-c2ccccc2)n1 ZINC000177157055 625619545 /nfs/dbraw/zinc/61/95/45/625619545.db2.gz DOQSKCSFXNRSLF-MRXNPFEDSA-N 1 0 299.422 2.319 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCCOC(C)(C)C ZINC000674907898 623351346 /nfs/dbraw/zinc/35/13/46/623351346.db2.gz GGAPCNHNOKKGML-UONOGXRCSA-N 1 0 254.418 2.360 10 0 CEAERO [NH3+][C@@H]1CC[C@H]2CN(Cc3nc4ccccc4s3)C[C@@H]12 ZINC000261670015 623427834 /nfs/dbraw/zinc/42/78/34/623427834.db2.gz ZZINYJUPGGCXQX-QJPTWQEYSA-N 1 0 273.405 2.465 10 0 CEAERO CCCN(c1nc(CC)cc(CC)n1)[C@H]1CC[NH2+]C1 ZINC000261577247 624962831 /nfs/dbraw/zinc/96/28/31/624962831.db2.gz CRECYXRCDZZQQD-AWEZNQCLSA-N 1 0 262.401 2.180 10 0 CEAERO C[NH2+]CCc1noc(-c2ccc(Cl)c(C)c2)n1 ZINC000138429562 625163019 /nfs/dbraw/zinc/16/30/19/625163019.db2.gz ZKGXGIYVTSCGMY-UHFFFAOYSA-N 1 0 251.717 2.460 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1c1nc([C@H]2CCc3ccccc32)no1 ZINC000235273871 625202276 /nfs/dbraw/zinc/20/22/76/625202276.db2.gz KRZIRWIKHTVWLB-DDTOSNHZSA-N 1 0 269.348 2.471 10 0 CEAERO [NH3+]C1CCN(c2ncc(Br)cc2Cl)CC1 ZINC000236162306 625901350 /nfs/dbraw/zinc/90/13/50/625901350.db2.gz BOQPHAKRRVLJIW-UHFFFAOYSA-N 1 0 290.592 2.425 10 0 CEAERO C(c1noc(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1)C1CCC1 ZINC000311705194 627692272 /nfs/dbraw/zinc/69/22/72/627692272.db2.gz QWQURFPOHZHQMO-YHWZYXNKSA-N 1 0 261.369 2.485 10 0 CEAERO COC(=O)N[C@@H](C(=O)Nc1ccc([C@@H](C)[NH3+])cc1)C(C)C ZINC000178189721 628013066 /nfs/dbraw/zinc/01/30/66/628013066.db2.gz IRKIZQRMXCSFQE-ZWNOBZJWSA-N 1 0 293.367 2.025 10 0 CEAERO O[C@@H](C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1)c1ccccc1 ZINC000313559583 628615720 /nfs/dbraw/zinc/61/57/20/628615720.db2.gz IWAFDOWBDFGHKN-YESZJQIVSA-N 1 0 275.392 2.347 10 0 CEAERO CCOc1cccc(CCNC(=O)[C@H]([NH3+])[C@@H](C)CC)c1 ZINC000236880917 628717826 /nfs/dbraw/zinc/71/78/26/628717826.db2.gz ZOHCJPDQGBSFJH-SWLSCSKDSA-N 1 0 278.396 2.117 10 0 CEAERO COc1ccc(Cl)cc1NC(=O)C1CC([NH3+])C1 ZINC000258654185 628755818 /nfs/dbraw/zinc/75/58/18/628755818.db2.gz GFRLEWPPKYBXDN-UHFFFAOYSA-N 1 0 254.717 2.024 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1Cc1ccc(Br)cc1 ZINC000261533817 628935744 /nfs/dbraw/zinc/93/57/44/628935744.db2.gz LHPOYBZQFHCKGW-JOYOIKCWSA-N 1 0 269.186 2.371 10 0 CEAERO Cc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)cc1Cl ZINC000261546248 628937251 /nfs/dbraw/zinc/93/72/51/628937251.db2.gz GTITXDCZFMSUOQ-BXKDBHETSA-N 1 0 252.745 2.210 10 0 CEAERO Fc1cc(Cl)cnc1N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261557165 628937871 /nfs/dbraw/zinc/93/78/71/628937871.db2.gz RKHPNHYEBFIEGA-GFCCVEGCSA-N 1 0 255.724 2.064 10 0 CEAERO Cc1ccnc(N2CC[C@H](CC[NH3+])C2)c1Br ZINC000235926957 628972161 /nfs/dbraw/zinc/97/21/61/628972161.db2.gz LEYVWEUPYQFYAX-JTQLQIEISA-N 1 0 284.201 2.328 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000261725406 629158519 /nfs/dbraw/zinc/15/85/19/629158519.db2.gz LBTCWDBXVPLYIK-SNVBAGLBSA-N 1 0 276.311 2.423 10 0 CEAERO C[C@H](C[NH2+][C@H](C)c1ccc(Cl)nc1)N1CCOCC1 ZINC000179100233 631093562 /nfs/dbraw/zinc/09/35/62/631093562.db2.gz SPUOAXYHRUUWCO-VXGBXAGGSA-N 1 0 283.803 2.106 10 0 CEAERO C[N@@H+]1CCC[C@H]([C@H]2CC[C@@H](C(F)(F)F)NC2)C1 ZINC000757570375 631634166 /nfs/dbraw/zinc/63/41/66/631634166.db2.gz DNCPDAGEBJAXJG-DCAQKATOSA-N 1 0 250.308 2.259 10 0 CEAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccc(Cl)nn1 ZINC000252856870 631675211 /nfs/dbraw/zinc/67/52/11/631675211.db2.gz LCEYNTPMNWXDPL-AAEUAGOBSA-N 1 0 280.803 2.189 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])CS(=O)(=O)N1CCC(C)(CC)CC1 ZINC000757154104 631823466 /nfs/dbraw/zinc/82/34/66/631823466.db2.gz WBJKBGHAPIKVMF-STQMWFEESA-N 1 0 290.473 2.202 10 0 CEAERO [NH3+]C[C@H]1CC(=O)Nc2c(Br)cc(Cl)cc21 ZINC000757175324 631828410 /nfs/dbraw/zinc/82/84/10/631828410.db2.gz DEEIHVOAFFHIOH-RXMQYKEDSA-N 1 0 289.560 2.487 10 0 CEAERO C[C@H]([NH3+])[C@@H]1CCN(c2cc(C(F)(F)F)ccn2)C1 ZINC000127333543 651185071 /nfs/dbraw/zinc/18/50/71/651185071.db2.gz SPTOQSWFABEDAH-DTWKUNHWSA-N 1 0 259.275 2.274 10 0 CEAERO C[C@@H](N[C@@H](C)c1cccc(-n2ccnc2)c1)c1cn(C)nn1 ZINC000902824452 634843267 /nfs/dbraw/zinc/84/32/67/634843267.db2.gz JDJAFCKJXZEYAD-QWHCGFSZSA-N 1 0 296.378 2.413 10 0 CEAERO CCc1cccnc1-c1noc([C@H]2CC[C@@H]([NH3+])C2)n1 ZINC000157294669 639477289 /nfs/dbraw/zinc/47/72/89/639477289.db2.gz WEQKFAATHLPUER-WDEREUQCSA-N 1 0 258.325 2.289 10 0 CEAERO Cc1ncc(-c2nc(C[C@@H]3CCC[NH2+]C3)no2)s1 ZINC000225428798 639496304 /nfs/dbraw/zinc/49/63/04/639496304.db2.gz IMKUILXNTXCQIW-VIFPVBQESA-N 1 0 264.354 2.044 10 0 CEAERO O[C@@H](C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000225689140 639509743 /nfs/dbraw/zinc/50/97/43/639509743.db2.gz AWVXIRYCMVPHQK-HRCADAONSA-N 1 0 261.365 2.363 10 0 CEAERO [NH3+][C@H]1CCCN(C(=O)c2cc(F)c(Cl)cc2F)C1 ZINC000167635893 639527195 /nfs/dbraw/zinc/52/71/95/639527195.db2.gz QWTJSJDKVJVMSL-ZETCQYMHSA-N 1 0 274.698 2.182 10 0 CEAERO C[C@H](O)CCC[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000227714491 639601814 /nfs/dbraw/zinc/60/18/14/639601814.db2.gz HXYYDWFGBZHBSZ-GWCFXTLKSA-N 1 0 291.313 2.489 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)/C=C/c2cccs2)C1 ZINC000060416638 639614504 /nfs/dbraw/zinc/61/45/04/639614504.db2.gz ODOBOUKXHLCNSQ-GUOLPTJISA-N 1 0 264.394 2.362 10 0 CEAERO Cc1cc2c(ncnc2N2CC[C@H](C)[C@@H](C[NH3+])C2)s1 ZINC000229095775 639676534 /nfs/dbraw/zinc/67/65/34/639676534.db2.gz OFXJEOUEOZGOFQ-ONGXEEELSA-N 1 0 276.409 2.421 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)Nc1ccccc1F ZINC000061884356 639727087 /nfs/dbraw/zinc/72/70/87/639727087.db2.gz KGRVXPVRSCKIIG-KOLCDFICSA-N 1 0 251.305 2.075 10 0 CEAERO COC1CC([NH2+][C@H](C)c2nc3ccccc3n2C)C1 ZINC000230672885 639777987 /nfs/dbraw/zinc/77/79/87/639777987.db2.gz DJMSGQWMHRMSRS-VOMCLLRMSA-N 1 0 259.353 2.401 10 0 CEAERO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)/C=C/c1ccccc1 ZINC000063194167 639838056 /nfs/dbraw/zinc/83/80/56/639838056.db2.gz KIPRCUPXDPCKIZ-YLNVSZPXSA-N 1 0 294.420 2.189 10 0 CEAERO C[C@@H]([NH3+])Cc1nc([C@H]2CCc3ccccc3C2)no1 ZINC000087997898 639882507 /nfs/dbraw/zinc/88/25/07/639882507.db2.gz XXSOQOXVLLYCEH-MFKMUULPSA-N 1 0 257.337 2.232 10 0 CEAERO CC1=NC(=O)C2(CC[NH+](C[C@H](C)c3ccccc3)CC2)N1 ZINC000063856858 639906687 /nfs/dbraw/zinc/90/66/87/639906687.db2.gz SSFMASMFDLGIMP-ZDUSSCGKSA-N 1 0 285.391 2.173 10 0 CEAERO O[C@H]1C[NH2+][C@@H](c2nc(C(C3CCC3)C3CCC3)no2)C1 ZINC000312358052 640021394 /nfs/dbraw/zinc/02/13/94/640021394.db2.gz JPOCNQYQROPANC-VXGBXAGGSA-N 1 0 277.368 2.149 10 0 CEAERO CCC1(CC)CN(CN2CCS[C@H](C)C2)C(=O)O1 ZINC000180242089 641436595 /nfs/dbraw/zinc/43/65/95/641436595.db2.gz MGDYQNHYMJESLB-LLVKDONJSA-N 1 0 272.414 2.392 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(C)(Cl)Cl ZINC000181547477 641568244 /nfs/dbraw/zinc/56/82/44/641568244.db2.gz IGFUGBXZNPFUGS-SECBINFHSA-N 1 0 267.200 2.123 10 0 CEAERO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCC[C@H](O)C1 ZINC000388701610 642620802 /nfs/dbraw/zinc/62/08/02/642620802.db2.gz HGQSIZXZHPSRRX-WCVJEAGWSA-N 1 0 266.429 2.096 10 0 CEAERO C[C@H]([NH3+])[C@H]1CCN(c2cc(C(F)(F)F)ccn2)C1 ZINC000127334056 651185874 /nfs/dbraw/zinc/18/58/74/651185874.db2.gz SPTOQSWFABEDAH-IUCAKERBSA-N 1 0 259.275 2.274 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)c1ccc([C@@H](C)O)cn1 ZINC000213286675 652244913 /nfs/dbraw/zinc/24/49/13/652244913.db2.gz JDSCEZDOKYJCEA-OCCSQVGLSA-N 1 0 263.385 2.055 10 0 CEAERO CCC1CCC([NH2+][C@H](C)C[C@@H]2COCCN2)CC1 ZINC000133903484 652743447 /nfs/dbraw/zinc/74/34/47/652743447.db2.gz OOKFZPVYIFYHBV-XSCHDIRWSA-N 1 0 254.418 2.312 10 0 CEAERO CC(C)(C)OC(=O)NCCC[NH2+]CC[C@@H]1CCCO1 ZINC000135296332 652964680 /nfs/dbraw/zinc/96/46/80/652964680.db2.gz UZKXLFRQTSKNJS-LBPRGKRZSA-N 1 0 272.389 2.060 10 0 CEAERO CC[NH2+][C@@H]1CCCCCC[C@@H]1S(=O)(=O)CCCOC ZINC000081985774 177913611 /nfs/dbraw/zinc/91/36/11/177913611.db2.gz BWFNVEKWYUZRJZ-KGLIPLIRSA-N 1 0 291.457 2.139 10 0 CEAERO CC[NH2+][C@@H]1CCCC[C@H]1S(=O)(=O)c1ccccc1OC ZINC000081987722 177914096 /nfs/dbraw/zinc/91/40/96/177914096.db2.gz XZHHDWWTQLDZTI-TZMCWYRMSA-N 1 0 297.420 2.390 10 0 CEAERO CCC[C@H]([NH2+]CC)[C@H](CC)S(=O)(=O)C1CCOCC1 ZINC000081989869 177914715 /nfs/dbraw/zinc/91/47/15/177914715.db2.gz JBLUZLPNAJFLCB-KBPBESRZSA-N 1 0 291.457 2.137 10 0 CEAERO CCC[NH2+][C@H](C)CCCC[S@@](=O)CCCOC ZINC000081999595 177916662 /nfs/dbraw/zinc/91/66/62/177916662.db2.gz NXBTYDYDJOWLRZ-DYVFJYSZSA-N 1 0 263.447 2.330 10 0 CEAERO COCCC[S@@](=O)C[C@@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000081999316 177916719 /nfs/dbraw/zinc/91/67/19/177916719.db2.gz KOSHPNKSQLFHEH-GYGXXPNJSA-N 1 0 299.480 2.315 10 0 CEAERO CC(C)([NH3+])C(=O)Nc1cccc(-c2cccnc2)c1 ZINC000082257249 177930228 /nfs/dbraw/zinc/93/02/28/177930228.db2.gz VODDZUCCXSYIPO-UHFFFAOYSA-N 1 0 255.321 2.424 10 0 CEAERO COC[C@H](C)[N@H+](C)C[C@@H]1C[C@H](C(C)C)CC[C@@H]1O ZINC000054561297 522591601 /nfs/dbraw/zinc/59/16/01/522591601.db2.gz 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ZINC000096944271 185134767 /nfs/dbraw/zinc/13/47/67/185134767.db2.gz NKASXKBOJISQPM-ZDUSSCGKSA-N 1 0 272.414 2.093 10 0 CEAERO C[C@H]1C[C@@]2(C[N@@H+]1C)C[C@@H](O)c1ccc(F)cc1O2 ZINC000097005305 185150592 /nfs/dbraw/zinc/15/05/92/185150592.db2.gz DPBKPPQLSFUTSC-BHYNMZESSA-N 1 0 251.301 2.104 10 0 CEAERO C[N@@H+]1CCC[C@@]2(C[C@@H](O)c3ccc(F)cc3O2)C1 ZINC000097005313 185150667 /nfs/dbraw/zinc/15/06/67/185150667.db2.gz BKRRGMFRMYBNIL-TZMCWYRMSA-N 1 0 251.301 2.106 10 0 CEAERO CCCCN(CC(F)(F)F)C(=O)[C@H]([NH3+])CCC ZINC000037812036 361948372 /nfs/dbraw/zinc/94/83/72/361948372.db2.gz WHXVIJPIRMBNQO-SECBINFHSA-N 1 0 254.296 2.305 10 0 CEAERO COCCc1ccc(OC[C@H](O)C[NH2+]C(C)(C)C)cc1 ZINC000038879068 361986268 /nfs/dbraw/zinc/98/62/68/361986268.db2.gz VDUCSSAVCWUDKH-CQSZACIVSA-N 1 0 281.396 2.003 10 0 CEAERO [NH3+]CCc1nc(-c2ccc(Br)s2)c[nH]1 ZINC000038002360 361977267 /nfs/dbraw/zinc/97/72/67/361977267.db2.gz ZVGFDEKIFFMNIF-UHFFFAOYSA-N 1 0 272.171 2.402 10 0 CEAERO CC(C)(C)OC(=O)[C@@H](CCCC[NH3+])C1CCOCC1 ZINC000725271958 539215592 /nfs/dbraw/zinc/21/55/92/539215592.db2.gz WSHHZDZWOHPUTF-ZDUSSCGKSA-N 1 0 271.401 2.500 10 0 CEAERO [NH3+]C1(CC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000398084590 539261150 /nfs/dbraw/zinc/26/11/50/539261150.db2.gz LPHDRLBDKXXTBU-BDAKNGLRSA-N 1 0 264.291 2.105 10 0 CEAERO CC(C)(CNC(=O)[C@H]1CCC[C@@H]1[NH3+])c1cccs1 ZINC000126230365 187226305 /nfs/dbraw/zinc/22/63/05/187226305.db2.gz JQDBGSUWBVOTSW-QWRGUYRKSA-N 1 0 266.410 2.269 10 0 CEAERO O=C1N=NC(C2CC[NH+](Cc3ccccc3)CC2)O1 ZINC000040847806 362005502 /nfs/dbraw/zinc/00/55/02/362005502.db2.gz NJCWWMARDSGJOT-UHFFFAOYSA-N 1 0 259.309 2.155 10 0 CEAERO CCc1ccc([C@H](C)[NH2+]CC(=O)NCCCOC)cc1 ZINC000042267424 362075527 /nfs/dbraw/zinc/07/55/27/362075527.db2.gz MIRFMWWZPUVCFN-ZDUSSCGKSA-N 1 0 278.396 2.052 10 0 CEAERO [NH3+]Cc1cccc(-c2nc(CC(F)(F)F)no2)c1 ZINC000042413071 362092550 /nfs/dbraw/zinc/09/25/50/362092550.db2.gz QYLCTXQJFDVWPU-UHFFFAOYSA-N 1 0 257.215 2.300 10 0 CEAERO [NH3+]C[C@@H](c1ccc(Br)s1)n1ccnc1 ZINC000043263229 362141482 /nfs/dbraw/zinc/14/14/82/362141482.db2.gz DPZQZXWFRUBFEV-ZETCQYMHSA-N 1 0 272.171 2.255 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1cccc(Br)c1)N(C)C ZINC000043020100 362134112 /nfs/dbraw/zinc/13/41/12/362134112.db2.gz CHCRBTGMIAWACB-KWQFWETISA-N 1 0 257.175 2.399 10 0 CEAERO C[C@@H](NCC[NH2+][C@@H](C)c1ccncc1)c1ccncc1 ZINC000022035249 343378681 /nfs/dbraw/zinc/37/86/81/343378681.db2.gz BFOGSPSCGNNNHA-OKILXGFUSA-N 1 0 270.380 2.478 10 0 CEAERO C[C@@H]([NH3+])Cc1ccc(N(C)C)c(Br)c1 ZINC000033825542 343418395 /nfs/dbraw/zinc/41/83/95/343418395.db2.gz LIIZKMKTZVALJX-MRVPVSSYSA-N 1 0 257.175 2.405 10 0 CEAERO CCN(CC)c1ncc(C[NH2+][C@@H]2CCC[C@@H](O)C2)s1 ZINC000037321086 343426753 /nfs/dbraw/zinc/42/67/53/343426753.db2.gz FVTODKCMJLCJDD-VXGBXAGGSA-N 1 0 283.441 2.382 10 0 CEAERO [NH3+]C1CCC(C(=O)NCCc2ccc(F)cc2)CC1 ZINC000037622813 343429549 /nfs/dbraw/zinc/42/95/49/343429549.db2.gz ZSCUXXITFRWPCH-UHFFFAOYSA-N 1 0 264.344 2.002 10 0 CEAERO CC(C)[NH2+]CCC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000037618718 343429828 /nfs/dbraw/zinc/42/98/28/343429828.db2.gz XTGOXYIXLAZOOP-GFCCVEGCSA-N 1 0 292.379 2.023 10 0 CEAERO [NH3+]C1CCC(C(=O)N(Cc2ccncc2)C2CC2)CC1 ZINC000037803443 343431607 /nfs/dbraw/zinc/43/16/07/343431607.db2.gz FCSFKOGEALEJCW-UHFFFAOYSA-N 1 0 273.380 2.090 10 0 CEAERO O[C@@H](C[NH2+]CCc1cccc(F)c1)COCc1ccco1 ZINC000037891814 343432561 /nfs/dbraw/zinc/43/25/61/343432561.db2.gz WOJOZOPMFUWXQA-HNNXBMFYSA-N 1 0 293.338 2.129 10 0 CEAERO COc1ccc([C@H]2CC[NH2+][C@@H]2CO)cc1OC1CCCC1 ZINC000039003263 343434704 /nfs/dbraw/zinc/43/47/04/343434704.db2.gz YRSPOOJPQQYWAJ-HUUCEWRRSA-N 1 0 291.391 2.454 10 0 CEAERO Clc1cccc(NCC[NH2+][C@@H]2CN3CCC2CC3)c1 ZINC000038956740 343434939 /nfs/dbraw/zinc/43/49/39/343434939.db2.gz XYOIJBNAAKEXEN-OAHLLOKOSA-N 1 0 279.815 2.436 10 0 CEAERO C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CC3(C2)CCCCC3)C1 ZINC000336530901 282265390 /nfs/dbraw/zinc/26/53/90/282265390.db2.gz GXVBQMPDLTWFMP-KGLIPLIRSA-N 1 0 279.428 2.445 10 0 CEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCCCCC2)C1 ZINC000246415430 539321105 /nfs/dbraw/zinc/32/11/05/539321105.db2.gz MFSJIWFLXPYOSE-UONOGXRCSA-N 1 0 267.417 2.301 10 0 CEAERO C[C@@H]1CCCN(c2cc(NC3CC[NH+](C)CC3)ncn2)C1 ZINC000153033097 136394437 /nfs/dbraw/zinc/39/44/37/136394437.db2.gz CNSLPVOYKNASHY-CYBMUJFWSA-N 1 0 289.427 2.219 10 0 CEAERO C[C@@H](NC(=O)C[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000054292953 343587476 /nfs/dbraw/zinc/58/74/76/343587476.db2.gz JPBLMHKGCVVSCC-CHWSQXEVSA-N 1 0 252.402 2.461 10 0 CEAERO CC1(C)C[N@@H+]([C@@H]2CCC[C@H]2O)CCN1Cc1ccccc1 ZINC000306665129 539338702 /nfs/dbraw/zinc/33/87/02/539338702.db2.gz STMAZGOJYGXJQU-IAGOWNOFSA-N 1 0 288.435 2.496 10 0 CEAERO O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000126889739 187269502 /nfs/dbraw/zinc/26/95/02/187269502.db2.gz FNOBPZKOLZYPGF-JHJVBQTASA-N 1 0 298.308 2.287 10 0 CEAERO Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1CN(C(C)C)C[C@H]1C ZINC000247109854 282301833 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CCN1CCO[C@@H](C[NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC000113267368 344276135 /nfs/dbraw/zinc/27/61/35/344276135.db2.gz NEUKAHGFVYHHTN-WFASDCNBSA-N 1 0 266.360 2.197 10 0 CEAERO CCc1ccc(N2CCC3(CC[NH2+]CC3)C2=O)cc1 ZINC000114496984 344280040 /nfs/dbraw/zinc/28/00/40/344280040.db2.gz NKGAQDSBXWFGMJ-UHFFFAOYSA-N 1 0 258.365 2.356 10 0 CEAERO CS(=O)(=O)c1ccc(C23CCC([NH3+])(CC2)CC3)cc1 ZINC000116641910 344287373 /nfs/dbraw/zinc/28/73/73/344287373.db2.gz GHNWTKBRMNRUFT-UHFFFAOYSA-N 1 0 279.405 2.393 10 0 CEAERO [NH2+]=C1N[C@H](c2ccc(NC(=O)c3ccc(F)cc3)cc2)CO1 ZINC000117022396 344288320 /nfs/dbraw/zinc/28/83/20/344288320.db2.gz YUENKGBLGZZEFC-AWEZNQCLSA-N 1 0 299.305 2.464 10 0 CEAERO [NH3+]C[C@@H]1OCCc2sc(N3CCCCC3)cc21 ZINC000117844883 344290235 /nfs/dbraw/zinc/29/02/35/344290235.db2.gz BBADFWSFNOQECA-NSHDSACASA-N 1 0 252.383 2.311 10 0 CEAERO CCC([NH3+])(CC)CNc1ccc(C(=O)OC)c(C)n1 ZINC000124453275 344314205 /nfs/dbraw/zinc/31/42/05/344314205.db2.gz WNAXLTBWAPCWNM-UHFFFAOYSA-N 1 0 265.357 2.106 10 0 CEAERO [NH3+][C@H]1CC[C@H](C(=O)Nc2cccc3ccncc32)C1 ZINC000131157775 344356782 /nfs/dbraw/zinc/35/67/82/344356782.db2.gz PYKVQZPQJFDVQK-RYUDHWBXSA-N 1 0 255.321 2.301 10 0 CEAERO [NH3+][C@H]1CC[C@@H](C(=O)Nc2cccc3ccncc32)C1 ZINC000131157558 344356809 /nfs/dbraw/zinc/35/68/09/344356809.db2.gz PYKVQZPQJFDVQK-NEPJUHHUSA-N 1 0 255.321 2.301 10 0 CEAERO C[C@H](C[C@@H]1COCCN1)[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000133709921 344370325 /nfs/dbraw/zinc/37/03/25/344370325.db2.gz HGXPCEQQRHAXAW-FVCCEPFGSA-N 1 0 294.361 2.464 10 0 CEAERO CCN1CCO[C@H](C[NH2+]Cc2c(C)cc(C)cc2C)C1 ZINC000134439646 344373972 /nfs/dbraw/zinc/37/39/72/344373972.db2.gz RUYJPVZLXKYQRA-MRXNPFEDSA-N 1 0 276.424 2.422 10 0 CEAERO CCCOc1ccc(C[NH2+]C[C@H]2CN(CC)CCO2)cc1 ZINC000134437366 344374280 /nfs/dbraw/zinc/37/42/80/344374280.db2.gz BNCTYOTXLWQKQS-KRWDZBQOSA-N 1 0 292.423 2.286 10 0 CEAERO [NH3+]CC1(c2ccc(Br)cc2Cl)OCCO1 ZINC000135066822 344379725 /nfs/dbraw/zinc/37/97/25/344379725.db2.gz RLQNPFIPBHNQMU-UHFFFAOYSA-N 1 0 292.560 2.261 10 0 CEAERO COCCN(CCOC)c1cc(C)[nH+]c2c(O)cccc12 ZINC000138666868 344391119 /nfs/dbraw/zinc/39/11/19/344391119.db2.gz HSFKFAFEWINHDZ-UHFFFAOYSA-N 1 0 290.363 2.348 10 0 CEAERO COc1cc(N)ccc1OC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000144150515 344406924 /nfs/dbraw/zinc/40/69/24/344406924.db2.gz DEZIKXBBYUVKDU-FUNVUKJBSA-N 1 0 262.353 2.281 10 0 CEAERO CC(=O)Sc1nc(-c2cc[n+](C)cc2)cs1 ZINC000146600769 344410442 /nfs/dbraw/zinc/41/04/42/344410442.db2.gz BMHIKYAECMFUFP-UHFFFAOYSA-N 1 0 251.356 2.273 10 0 CEAERO COC(=O)c1ccc(NC[C@H]([NH3+])c2ccccc2)nc1C ZINC000147675129 344412211 /nfs/dbraw/zinc/41/22/11/344412211.db2.gz LUWDLQFUGKQCAV-AWEZNQCLSA-N 1 0 285.347 2.289 10 0 CEAERO COC(=O)c1ccc(N[C@H]2CCCC[C@@H]2C[NH3+])nc1C ZINC000147687547 344412653 /nfs/dbraw/zinc/41/26/53/344412653.db2.gz YVXLGVWIMLDMFD-YPMHNXCESA-N 1 0 277.368 2.106 10 0 CEAERO C[NH2+]CCCS(=O)(=O)CCCCCC(F)(F)F ZINC000148340066 344413734 /nfs/dbraw/zinc/41/37/34/344413734.db2.gz CQMFIJUJZHYMOD-UHFFFAOYSA-N 1 0 275.336 2.133 10 0 CEAERO CC(=O)c1cc(N)ccc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000148734992 344413915 /nfs/dbraw/zinc/41/39/15/344413915.db2.gz CUUMULFFBLQRNT-CQSZACIVSA-N 1 0 273.380 2.146 10 0 CEAERO C[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CCS1 ZINC000156232624 344441682 /nfs/dbraw/zinc/44/16/82/344441682.db2.gz PQMWCJXCSLLQBC-LBPRGKRZSA-N 1 0 278.421 2.326 10 0 CEAERO C[C@H]([NH3+])C[C@H](C)Nc1ccc(Br)cn1 ZINC000165735721 344474921 /nfs/dbraw/zinc/47/49/21/344474921.db2.gz WSAJJBCCAJTWIY-YUMQZZPRSA-N 1 0 258.163 2.382 10 0 CEAERO C[C@@H]([NH3+])C[C@@H](C)Nc1ccc(Br)cn1 ZINC000165735606 344474926 /nfs/dbraw/zinc/47/49/26/344474926.db2.gz WSAJJBCCAJTWIY-HTQZYQBOSA-N 1 0 258.163 2.382 10 0 CEAERO CCOC(=O)C1(COCc2ccccc2)CC[NH2+]CC1 ZINC000169029984 344480936 /nfs/dbraw/zinc/48/09/36/344480936.db2.gz YKNKTBAFEMIFNA-UHFFFAOYSA-N 1 0 277.364 2.136 10 0 CEAERO C[C@H]1C[C@@H]1NC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000170809431 344490636 /nfs/dbraw/zinc/49/06/36/344490636.db2.gz IPLKLXUWODMPQP-JSGCOSHPSA-N 1 0 267.417 2.349 10 0 CEAERO COc1ccc2nc(C(=O)N3CC[C@@H]([NH+](C)C)C3)ccc2c1 ZINC000170856870 344491736 /nfs/dbraw/zinc/49/17/36/344491736.db2.gz GDPZUMROCJDHED-CYBMUJFWSA-N 1 0 299.374 2.020 10 0 CEAERO CC(C)(C)OC(=O)N1CC(CC2CC[NH2+]CC2)C1 ZINC000215303896 344533825 /nfs/dbraw/zinc/53/38/25/344533825.db2.gz ARPBNYXJNFAEGN-UHFFFAOYSA-N 1 0 254.374 2.243 10 0 CEAERO C[C@H](C[NH3+])Oc1cc(Br)cc(F)c1F ZINC000219826282 344538008 /nfs/dbraw/zinc/53/80/08/344538008.db2.gz GPISTRMTJRNOFT-RXMQYKEDSA-N 1 0 266.085 2.453 10 0 CEAERO COc1cc(Br)c(OC)c2c1C(C[NH3+])=CC2 ZINC000221250921 344539049 /nfs/dbraw/zinc/53/90/49/344539049.db2.gz VFMSDXFGTIIYKV-UHFFFAOYSA-N 1 0 284.153 2.365 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000227881749 344556979 /nfs/dbraw/zinc/55/69/79/344556979.db2.gz XKXJWRPKSMUFCB-GMTAPVOTSA-N 1 0 278.318 2.175 10 0 CEAERO Cc1sc([C@H](C[NH3+])N(C)C)cc1Br ZINC000227859610 344557024 /nfs/dbraw/zinc/55/70/24/344557024.db2.gz OLPRNVNDSVXLKT-QMMMGPOBSA-N 1 0 263.204 2.380 10 0 CEAERO COC[C@H]([NH3+])c1ccc(F)c(F)c1Br ZINC000229826660 344568765 /nfs/dbraw/zinc/56/87/65/344568765.db2.gz ASLUBBLJXSQXGP-ZETCQYMHSA-N 1 0 266.085 2.374 10 0 CEAERO CC(C)(C)Oc1ncc(Br)cc1C[NH3+] ZINC000051527141 362431030 /nfs/dbraw/zinc/43/10/30/362431030.db2.gz TWITXCAHWVCTPO-UHFFFAOYSA-N 1 0 259.147 2.480 10 0 CEAERO [NH3+][C@H](c1ccoc1Br)C1CCOCC1 ZINC000236295071 344595043 /nfs/dbraw/zinc/59/50/43/344595043.db2.gz SARWYJIFEQVZHN-VIFPVBQESA-N 1 0 260.131 2.469 10 0 CEAERO NC(=[NH2+])c1ccc(NC(=O)NCc2ccccc2)c(F)c1 ZINC000232308489 344577371 /nfs/dbraw/zinc/57/73/71/344577371.db2.gz ASZZSOGAWJWQMF-UHFFFAOYSA-N 1 0 286.310 2.431 10 0 CEAERO CCCC1(C[NH2+]C[C@@H](O)COCc2ccco2)CC1 ZINC000232965681 344580618 /nfs/dbraw/zinc/58/06/18/344580618.db2.gz HNKLOYDOZBNVIC-CYBMUJFWSA-N 1 0 267.369 2.327 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](O)c1cc(F)ccc1Br ZINC000233904493 344582268 /nfs/dbraw/zinc/58/22/68/344582268.db2.gz VGZLZTQBPLAPGN-ZJUUUORDSA-N 1 0 262.122 2.359 10 0 CEAERO C[NH2+][C@@](C)(CO)c1ccc(F)cc1Br ZINC000234429503 344585134 /nfs/dbraw/zinc/58/51/34/344585134.db2.gz LXWUTYSWSJTGHB-JTQLQIEISA-N 1 0 262.122 2.015 10 0 CEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N(C)C2CCCC2)C1 ZINC000246274269 344615466 /nfs/dbraw/zinc/61/54/66/344615466.db2.gz AUSDSGCKJKPICW-GXTWGEPZSA-N 1 0 267.417 2.299 10 0 CEAERO Cc1nc2ccccc2nc1NCC1CC[NH2+]CC1 ZINC000052099580 362465137 /nfs/dbraw/zinc/46/51/37/362465137.db2.gz CCGKAFGKGMFHMY-UHFFFAOYSA-N 1 0 256.353 2.350 10 0 CEAERO O=C(C[N@H+]1CCC[C@@H]1CCCO)NCCC1=CCCCC1 ZINC000052762851 362473986 /nfs/dbraw/zinc/47/39/86/362473986.db2.gz WBYQTKOQUWZRSM-MRXNPFEDSA-N 1 0 294.439 2.230 10 0 CEAERO CC(C)(C[C@@H]([NH3+])c1ccc(Br)cc1)C(N)=O ZINC000083686042 178686593 /nfs/dbraw/zinc/68/65/93/178686593.db2.gz KXQXZLVIYQAXSB-SNVBAGLBSA-N 1 0 285.185 2.351 10 0 CEAERO COC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000260306298 344652029 /nfs/dbraw/zinc/65/20/29/344652029.db2.gz BIEPZFCAZKUWNM-NWDGAFQWSA-N 1 0 287.281 2.470 10 0 CEAERO CC[C@H](CNC(=O)[C@H]1CC[C@H]([NH3+])C1)Oc1cccc(F)c1 ZINC000262643856 344655398 /nfs/dbraw/zinc/65/53/98/344655398.db2.gz QJIOGKHMTLCRCE-FPMFFAJLSA-N 1 0 294.370 2.227 10 0 CEAERO CC(C)n1cc([C@@H]2C[N@H+](Cc3cc[nH]c3)C[C@H]2CO)cn1 ZINC000284519350 344677987 /nfs/dbraw/zinc/67/79/87/344677987.db2.gz FSNNBGMYJHNIIX-HOTGVXAUSA-N 1 0 288.395 2.000 10 0 CEAERO FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1COCCO1 ZINC000251586427 344637071 /nfs/dbraw/zinc/63/70/71/344637071.db2.gz YZLHSKYWFKTIGK-AXFHLTTASA-N 1 0 267.291 2.113 10 0 CEAERO COC1(OC)C[C@@H]2C[N@H+](C)C[C@]21c1ccc(C)cc1 ZINC000253714095 344645433 /nfs/dbraw/zinc/64/54/33/344645433.db2.gz YJOWIGYADMADGH-CABCVRRESA-N 1 0 261.365 2.187 10 0 CEAERO [NH3+]C[C@@H]1C[C@@H]1c1cccc(I)c1 ZINC000307093790 344720008 /nfs/dbraw/zinc/72/00/08/344720008.db2.gz DMLCACRAQLZEJC-WCBMZHEXSA-N 1 0 273.117 2.353 10 0 CEAERO CS[C@@H]1CCC[C@@H](NC(=O)C[C@H]([NH3+])C(C)C)C1 ZINC000300423724 344699979 /nfs/dbraw/zinc/69/99/79/344699979.db2.gz KFVHMGWGZHPTAN-UTUOFQBUSA-N 1 0 258.431 2.150 10 0 CEAERO CC[C@H](C)[N@H+](CC)Cc1ncccc1C(=O)OC ZINC000302263779 344703106 /nfs/dbraw/zinc/70/31/06/344703106.db2.gz CCGQQPISMVPHDK-NSHDSACASA-N 1 0 250.342 2.489 10 0 CEAERO C[C@H]1C[NH2+][C@]2(CCN(C(=O)OC(C)(C)C)C2)S1 ZINC000306586129 344715224 /nfs/dbraw/zinc/71/52/24/344715224.db2.gz RDBUOXUHBWPXHS-JOYOIKCWSA-N 1 0 258.387 2.048 10 0 CEAERO [NH3+][C@H]1CCCO[C@@H]1c1cnn(Cc2ccccc2)c1 ZINC000306598930 344715371 /nfs/dbraw/zinc/71/53/71/344715371.db2.gz QLHNFDHMABRUDC-LSDHHAIUSA-N 1 0 257.337 2.110 10 0 CEAERO N[C@@H](CC[NH3+])c1c(F)cc(Br)cc1F ZINC000306876180 344718376 /nfs/dbraw/zinc/71/83/76/344718376.db2.gz CPUKAPQUJJPOKK-QMMMGPOBSA-N 1 0 265.101 2.076 10 0 CEAERO CCC[C@H](CC[NH3+])CCC(=O)NCCCOC(C)C ZINC000083710061 178722492 /nfs/dbraw/zinc/72/24/92/178722492.db2.gz UIHBBIIBJVZLTR-AWEZNQCLSA-N 1 0 272.433 2.463 10 0 CEAERO CCOCOc1c(Br)cc(C[NH3+])cc1OC ZINC000083756005 178741927 /nfs/dbraw/zinc/74/19/27/178741927.db2.gz QMONHHVXCIXVED-UHFFFAOYSA-N 1 0 290.157 2.289 10 0 CEAERO CCC[NH2+]CCNc1cc(OC)c(C)cc1[N+](=O)[O-] ZINC000389043468 344835021 /nfs/dbraw/zinc/83/50/21/344835021.db2.gz NYJWFAKNMQSNFY-UHFFFAOYSA-N 1 0 267.329 2.323 10 0 CEAERO CC(C)COC(=O)Nc1ccc(F)c(C(N)=[NH2+])c1 ZINC000083757571 178742717 /nfs/dbraw/zinc/74/27/17/178742717.db2.gz KECMZGITTRTORU-UHFFFAOYSA-N 1 0 253.277 2.314 10 0 CEAERO C[C@H]([NH3+])[C@@H](N(C)CCC(F)(F)F)C(F)(F)F ZINC000083878797 178757810 /nfs/dbraw/zinc/75/78/10/178757810.db2.gz OGTPQUDIDDFEIL-NTSWFWBYSA-N 1 0 252.202 2.149 10 0 CEAERO C[C@H](CC(N)=S)[NH+]1CCC(C(F)(F)F)CC1 ZINC000083889756 178758944 /nfs/dbraw/zinc/75/89/44/178758944.db2.gz YOWLSJPWHXGBIG-SSDOTTSWSA-N 1 0 254.321 2.325 10 0 CEAERO CC[S@](=O)[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH3+] ZINC000084007541 178770925 /nfs/dbraw/zinc/77/09/25/178770925.db2.gz KJEVVJICJXXUCG-UMPJEAMMSA-N 1 0 251.395 2.419 10 0 CEAERO CCOC(=O)[C@H](CC)Oc1cc(C[NH2+]C)ccc1OC ZINC000084098956 178789121 /nfs/dbraw/zinc/78/91/21/178789121.db2.gz ADMMCCUTUALCHB-LBPRGKRZSA-N 1 0 281.352 2.135 10 0 CEAERO Cc1cn2cc(C(N)=[NH2+])nc(Cc3ccc(F)cc3)c2n1 ZINC000584605189 344963514 /nfs/dbraw/zinc/96/35/14/344963514.db2.gz HXCWRAISTNLHEM-UHFFFAOYSA-N 1 0 283.310 2.052 10 0 CEAERO CCn1c(C[NH2+]C)nc(Br)c1Br ZINC000584881262 344996327 /nfs/dbraw/zinc/99/63/27/344996327.db2.gz GEFMEFMNZIXVSX-UHFFFAOYSA-N 1 0 296.994 2.147 10 0 CEAERO COCc1ccccc1NC(=O)CC1([NH3+])CCCC1 ZINC000084165864 178811545 /nfs/dbraw/zinc/81/15/45/178811545.db2.gz DOTZZCAQAVAMKR-UHFFFAOYSA-N 1 0 262.353 2.433 10 0 CEAERO C[NH2+][C@H](C)C(=O)N[C@H](C)c1ccccc1OC(C)C ZINC000054074404 362508835 /nfs/dbraw/zinc/50/88/35/362508835.db2.gz MVJQHZWROXZNHG-VXGBXAGGSA-N 1 0 264.369 2.259 10 0 CEAERO C[NH2+][C@H](C)C(=O)Nc1cc(Br)ccc1C ZINC000054074316 362509379 /nfs/dbraw/zinc/50/93/79/362509379.db2.gz OQZZMJCWVSKJBO-MRVPVSSYSA-N 1 0 271.158 2.304 10 0 CEAERO c1ccc(CCc2noc(C[C@H]3CCC[NH2+]C3)n2)cc1 ZINC000054301520 362524381 /nfs/dbraw/zinc/52/43/81/362524381.db2.gz JWICQRXUCSGFFW-CQSZACIVSA-N 1 0 271.364 2.397 10 0 CEAERO Cc1ncsc1CN(C)C(=O)CC1([NH3+])CCCCC1 ZINC000084187320 178821002 /nfs/dbraw/zinc/82/10/02/178821002.db2.gz IBUNBXIXQFBTML-UHFFFAOYSA-N 1 0 281.425 2.462 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)CSCCC(C)C)C1 ZINC000056986334 362568168 /nfs/dbraw/zinc/56/81/68/362568168.db2.gz BEIKNJNXKQIOGE-CYBMUJFWSA-N 1 0 272.458 2.366 10 0 CEAERO Cc1nn(C)c(C[C@@H]2CCC[C@H]2[NH3+])c1Br ZINC000084271875 178838355 /nfs/dbraw/zinc/83/83/55/178838355.db2.gz POCWLAVILJFFHO-DTWKUNHWSA-N 1 0 272.190 2.161 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])Cc1c(Br)c(C)nn1C ZINC000084273957 178839620 /nfs/dbraw/zinc/83/96/20/178839620.db2.gz DNWRDWVAUKVDQQ-APPZFPTMSA-N 1 0 274.206 2.407 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@H]1S(=O)(=O)Cc1ccccc1 ZINC000084268920 178835685 /nfs/dbraw/zinc/83/56/85/178835685.db2.gz HJZCAKQQLCNPKE-ZIAGYGMSSA-N 1 0 267.394 2.119 10 0 CEAERO CCc1nnc(C)cc1[C@H]([NH3+])c1ccc(OC)c(OC)c1 ZINC000097078242 185521983 /nfs/dbraw/zinc/52/19/83/185521983.db2.gz VZRDKTLPZJMRLN-MRXNPFEDSA-N 1 0 287.363 2.413 10 0 CEAERO CCn1nc(C[N@@H+]2CCC[C@H](O)[C@@H]2C)c2ccccc21 ZINC000295105506 199347173 /nfs/dbraw/zinc/34/71/73/199347173.db2.gz VMNGJLLOJBFJDT-LRDDRELGSA-N 1 0 273.380 2.401 10 0 CEAERO C[C@H](C[C@@](C)([NH3+])C(N)=O)Sc1ccc2c(c1)CCC2 ZINC000084350353 178862952 /nfs/dbraw/zinc/86/29/52/178862952.db2.gz JQLHKOXZMHXQQK-MEBBXXQBSA-N 1 0 278.421 2.249 10 0 CEAERO COC(=O)[C@@](C)([NH3+])C[C@@H](C)Sc1ncccc1Cl ZINC000084355938 178866926 /nfs/dbraw/zinc/86/69/26/178866926.db2.gz IGSAXYRITPQIJT-PELKAZGASA-N 1 0 288.800 2.496 10 0 CEAERO CCCn1nc(C)c(N)c1N[C@H](C)C[NH+](CC)CC ZINC000097125399 185541550 /nfs/dbraw/zinc/54/15/50/185541550.db2.gz RMKDICQILOZELC-LLVKDONJSA-N 1 0 267.421 2.326 10 0 CEAERO CC[NH2+][C@](C)(C[C@H](C)SC1CCCC1)C(N)=O ZINC000084354102 178865491 /nfs/dbraw/zinc/86/54/91/178865491.db2.gz GAKBAHNPLGXHCO-GXFFZTMASA-N 1 0 258.431 2.294 10 0 CEAERO Cc1nn(C(C)C)c(NCCCC[NH+](C)C)c1N ZINC000097145280 185548574 /nfs/dbraw/zinc/54/85/74/185548574.db2.gz QMRXQFFDGMRWNQ-UHFFFAOYSA-N 1 0 253.394 2.108 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc2[nH]ccc2c1 ZINC000229583250 539472150 /nfs/dbraw/zinc/47/21/50/539472150.db2.gz AWLBNIYQRRIMCF-ZWNOBZJWSA-N 1 0 257.337 2.038 10 0 CEAERO [NH3+]C1CC(OCc2cccc(Br)c2)C1 ZINC000084450922 178889469 /nfs/dbraw/zinc/88/94/69/178889469.db2.gz PAGIWXBMBZPRRJ-UHFFFAOYSA-N 1 0 256.143 2.455 10 0 CEAERO C[NH2+][C@H](C)C[C@H](C)Oc1cc(OC)cc(OC)c1 ZINC000084396244 178881417 /nfs/dbraw/zinc/88/14/17/178881417.db2.gz SCOFNGYHFZNALX-MNOVXSKESA-N 1 0 253.342 2.469 10 0 CEAERO C[NH2+][C@H]1CCC[C@H](Sc2nnnn2C2CCCC2)C1 ZINC000084431335 178886502 /nfs/dbraw/zinc/88/65/02/178886502.db2.gz MJWPCNITRUKIHA-JQWIXIFHSA-N 1 0 281.429 2.411 10 0 CEAERO CC(C)(C)OC(=O)N1CCC(C[NH3+])(N2CCCCC2)CC1 ZINC000058041153 362606608 /nfs/dbraw/zinc/60/66/08/362606608.db2.gz HZAMBLUOCMEGQU-UHFFFAOYSA-N 1 0 297.443 2.201 10 0 CEAERO COC1CC[NH+](C[C@@H]2C(=O)C[C@H](C)C[C@H]2C)CC1 ZINC000084474989 178894280 /nfs/dbraw/zinc/89/42/80/178894280.db2.gz VERNICWXQCFZPW-BZPMIXESSA-N 1 0 253.386 2.349 10 0 CEAERO CCn1ccnc1[C@H]([NH3+])[C@@H]1OCCc2ccccc21 ZINC000097191348 185559083 /nfs/dbraw/zinc/55/90/83/185559083.db2.gz DBODBSGIXNNFEU-ZIAGYGMSSA-N 1 0 257.337 2.217 10 0 CEAERO CCC[NH2+][C@@H](CCCS(=O)(=O)CC)CCOCCC ZINC000097217814 185566248 /nfs/dbraw/zinc/56/62/48/185566248.db2.gz CUKDDIYWJWPLRP-AWEZNQCLSA-N 1 0 293.473 2.386 10 0 CEAERO CC[C@H](C)n1ccc(C[C@H]([NH3+])c2cnn(C)c2C)n1 ZINC000097224994 185568120 /nfs/dbraw/zinc/56/81/20/185568120.db2.gz SQIPPKXEQRAISI-HZMBPMFUSA-N 1 0 261.373 2.139 10 0 CEAERO CCC[NH2+][C@@H](COC(C)C)Cc1cc(C)nn1C ZINC000097273627 185575286 /nfs/dbraw/zinc/57/52/86/185575286.db2.gz GYBQUCYCALCCRM-CYBMUJFWSA-N 1 0 253.390 2.064 10 0 CEAERO CCSC1(C[NH2+]Cc2c(C)nn(C)c2OC)CC1 ZINC000594986543 345722104 /nfs/dbraw/zinc/72/21/04/345722104.db2.gz FQZIZTLXYVVRHX-UHFFFAOYSA-N 1 0 269.414 2.112 10 0 CEAERO C[NH2+][C@H](Cc1ncnn1C)Cc1ccc2ccccc2c1 ZINC000097275382 185576097 /nfs/dbraw/zinc/57/60/97/185576097.db2.gz BHGUULFCOPVWEF-INIZCTEOSA-N 1 0 280.375 2.342 10 0 CEAERO CCC[NH2+][C@H](COC(C)(C)C)Cc1ncnn1CCC ZINC000097282088 185578842 /nfs/dbraw/zinc/57/88/42/185578842.db2.gz WAEZVAILCIHCMK-ZDUSSCGKSA-N 1 0 282.432 2.414 10 0 CEAERO CC[NH2+][C@@H](COC(C)C)[C@H]1CCOC2(CCOCC2)C1 ZINC000097311011 185583730 /nfs/dbraw/zinc/58/37/30/185583730.db2.gz NYWDQZJSEHOXRK-GJZGRUSLSA-N 1 0 285.428 2.365 10 0 CEAERO CSCC[C@H]([NH3+])[C@@H]1CCOC2(CCOCC2)C1 ZINC000097311021 185584251 /nfs/dbraw/zinc/58/42/51/185584251.db2.gz UXDZRJVEHLNGCR-NEPJUHHUSA-N 1 0 259.415 2.043 10 0 CEAERO CC[NH2+][C@H](CSc1ccc(F)cc1)Cc1ncnn1C ZINC000097330644 185585973 /nfs/dbraw/zinc/58/59/73/185585973.db2.gz AEXICUVERJVVPB-LBPRGKRZSA-N 1 0 294.399 2.267 10 0 CEAERO Cc1csc(C[C@H]([NH3+])Cn2cnc3ccccc32)n1 ZINC000097341979 185587007 /nfs/dbraw/zinc/58/70/07/185587007.db2.gz KCYJVICRMUDHGF-NSHDSACASA-N 1 0 272.377 2.371 10 0 CEAERO C[NH2+][C@H](Cc1c(C)cccc1C)C[C@H]1CCS(=O)(=O)C1 ZINC000097352140 185588183 /nfs/dbraw/zinc/58/81/83/185588183.db2.gz YZFJKPJAGIHMRA-CABCVRRESA-N 1 0 295.448 2.259 10 0 CEAERO CCC(CC)C[C@H](C[C@@H]1CCS(=O)(=O)C1)[NH2+]C ZINC000097384465 185595443 /nfs/dbraw/zinc/59/54/43/185595443.db2.gz PCQLHEBZGOIJBK-QWHCGFSZSA-N 1 0 261.431 2.226 10 0 CEAERO [NH3+]C/C=C/COc1ccc(Br)c(F)c1 ZINC000085054721 178944759 /nfs/dbraw/zinc/94/47/59/178944759.db2.gz DMDCGAVFTFSXMR-OWOJBTEDSA-N 1 0 260.106 2.482 10 0 CEAERO COCCOc1ccccc1[C@H]([NH3+])C[C@H](C)COC ZINC000097415069 185598804 /nfs/dbraw/zinc/59/88/04/185598804.db2.gz KZUQWPMOCUGNDQ-GXTWGEPZSA-N 1 0 267.369 2.384 10 0 CEAERO CCCn1nncc1[C@@H]([NH3+])[C@H]1OCCc2ccccc21 ZINC000097418528 185598983 /nfs/dbraw/zinc/59/89/83/185598983.db2.gz RLZDFZIWTXGGOZ-CABCVRRESA-N 1 0 272.352 2.002 10 0 CEAERO COc1ccccc1C[C@](C)(CCO)C(C)(C)[NH3+] ZINC000097434685 185603025 /nfs/dbraw/zinc/60/30/25/185603025.db2.gz MKBXKIRAYICXIX-HNNXBMFYSA-N 1 0 251.370 2.364 10 0 CEAERO CCCn1nncc1[C@@H]([NH2+]CC)c1cccc(N(C)C)c1 ZINC000097418964 185600262 /nfs/dbraw/zinc/60/02/62/185600262.db2.gz GKBZSRGYJFNVII-INIZCTEOSA-N 1 0 287.411 2.453 10 0 CEAERO CCOc1ccc([C@H](CC(=O)OC)[C@H](C)[NH3+])cc1 ZINC000097430747 185601256 /nfs/dbraw/zinc/60/12/56/185601256.db2.gz UYVXTEDJMLVGET-GXFFZTMASA-N 1 0 251.326 2.079 10 0 CEAERO CCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000309901948 201866924 /nfs/dbraw/zinc/86/69/24/201866924.db2.gz IPKGVEPBWKBYCO-BZUAXINKSA-N 1 0 272.392 2.423 10 0 CEAERO COC(=O)C[C@](C)(C[NH3+])c1ccc(OC(C)C)cc1 ZINC000097430547 185601590 /nfs/dbraw/zinc/60/15/90/185601590.db2.gz ICDXUCJOKFKTDN-OAHLLOKOSA-N 1 0 265.353 2.253 10 0 CEAERO C[C@@H](CC[NH3+])CNC(=O)[C@H]1CCCc2ccccc21 ZINC000097440500 185605181 /nfs/dbraw/zinc/60/51/81/185605181.db2.gz PEFMDMNTQAFBCQ-WFASDCNBSA-N 1 0 260.381 2.208 10 0 CEAERO C[C@H]1SCCN(C(=O)C2CCC(C[NH3+])CC2)[C@H]1C ZINC000097467589 185611916 /nfs/dbraw/zinc/61/19/16/185611916.db2.gz NBRZBOGKHOWLBS-ZFDZMSFRSA-N 1 0 270.442 2.104 10 0 CEAERO CSCC[C@@H](C)NC(=O)C1CCC(C[NH3+])CC1 ZINC000097467483 185612158 /nfs/dbraw/zinc/61/21/58/185612158.db2.gz AMMZAKDPHCHKAM-VOMCLLRMSA-N 1 0 258.431 2.009 10 0 CEAERO CSCC[C@H](C)N(C)C(=O)C1CCC(C[NH3+])CC1 ZINC000097467599 185612384 /nfs/dbraw/zinc/61/23/84/185612384.db2.gz UAHNNJNGOHECEB-HIFPTAJRSA-N 1 0 272.458 2.352 10 0 CEAERO [NH3+][C@H](Cc1ccn(C2CCCC2)n1)c1ncccn1 ZINC000085182359 178965351 /nfs/dbraw/zinc/96/53/51/178965351.db2.gz VRNQVDVFEZNYER-CYBMUJFWSA-N 1 0 257.341 2.031 10 0 CEAERO CC(C)([NH3+])CNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000127540258 187313564 /nfs/dbraw/zinc/31/35/64/187313564.db2.gz LZJCRZZZFKREQJ-KGLIPLIRSA-N 1 0 276.380 2.008 10 0 CEAERO CC[NH2+][C@@](C)(CO)CN1CCC(C(C)(C)C)CC1 ZINC000085210951 178973820 /nfs/dbraw/zinc/97/38/20/178973820.db2.gz GKBBDPDQJOJLEE-OAHLLOKOSA-N 1 0 256.434 2.105 10 0 CEAERO Cc1nc(C)c([C@@H](C)NC[C@@H](O)C[NH+]2CCCCC2)s1 ZINC000178519021 232374365 /nfs/dbraw/zinc/37/43/65/232374365.db2.gz WJKPFPGXRBWNEK-BXUZGUMPSA-N 1 0 297.468 2.257 10 0 CEAERO CC[NH2+][C@@](C)(CO)CN(CC)c1ccccc1C ZINC000085216060 178979515 /nfs/dbraw/zinc/97/95/15/178979515.db2.gz SIPWSZFOCLHFFR-OAHLLOKOSA-N 1 0 250.386 2.182 10 0 CEAERO CCN(CCC[C@](C)(CO)[NH2+]C1CC1)CC(F)(F)F ZINC000085241591 178981661 /nfs/dbraw/zinc/98/16/61/178981661.db2.gz VRLHCSXZPMSMLD-GFCCVEGCSA-N 1 0 282.350 2.154 10 0 CEAERO CC[NH2+][C@](C)(CO)CCCOc1ccc(F)cc1F ZINC000085283091 179000656 /nfs/dbraw/zinc/00/06/56/179000656.db2.gz UTJJHIOOIONQOE-AWEZNQCLSA-N 1 0 273.323 2.484 10 0 CEAERO CC(C)(C)c1ccccc1OCC[C@@](C)([NH3+])CO ZINC000085283287 179000668 /nfs/dbraw/zinc/00/06/68/179000668.db2.gz UFDGVFNIQBWNHJ-OAHLLOKOSA-N 1 0 251.370 2.463 10 0 CEAERO CCC[NH2+][C@](C)(CO)COc1c(C)cccc1C ZINC000085283237 179000748 /nfs/dbraw/zinc/00/07/48/179000748.db2.gz ZYLFODOBEGWCDZ-OAHLLOKOSA-N 1 0 251.370 2.433 10 0 CEAERO C[C@@]([NH3+])(CO)CCOc1ccccc1C(F)(F)F ZINC000085282969 179000961 /nfs/dbraw/zinc/00/09/61/179000961.db2.gz UQXFHKAVVWUKHZ-NSHDSACASA-N 1 0 263.259 2.184 10 0 CEAERO CCOc1ccccc1OCCC[C@@](C)(CO)[NH2+]C ZINC000085283779 179001482 /nfs/dbraw/zinc/00/14/82/179001482.db2.gz DEZHNMJXTBAEAK-HNNXBMFYSA-N 1 0 267.369 2.215 10 0 CEAERO CCC[NH2+][C@](C)(CO)CCCCn1nc(C)cc1C ZINC000085263531 178994034 /nfs/dbraw/zinc/99/40/34/178994034.db2.gz DPRZEMKFMMFMMI-HNNXBMFYSA-N 1 0 267.417 2.421 10 0 CEAERO CC(C)[NH2+][C@H](CO)CCOc1cc(F)cc(F)c1 ZINC000085265198 178995362 /nfs/dbraw/zinc/99/53/62/178995362.db2.gz JMOMSKZSNAVBRZ-LBPRGKRZSA-N 1 0 259.296 2.093 10 0 CEAERO CC(C)C[C@@H](C)OC[C@@](CO)([NH2+]C1CC1)C1CC1 ZINC000085270252 178998570 /nfs/dbraw/zinc/99/85/70/178998570.db2.gz CEWRMEDZQNHWCY-IUODEOHRSA-N 1 0 255.402 2.331 10 0 CEAERO Cc1cccnc1CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000295124029 199358517 /nfs/dbraw/zinc/35/85/17/199358517.db2.gz XRTDFVRCWQCMFQ-NWANDNLSSA-N 1 0 260.381 2.336 10 0 CEAERO [NH3+][C@@](CO)(COc1cccc(F)c1)c1ccccc1 ZINC000085285470 179003632 /nfs/dbraw/zinc/00/36/32/179003632.db2.gz CWDQYONTOXVACC-HNNXBMFYSA-N 1 0 261.296 2.051 10 0 CEAERO Cc1ccc(C)c(OC[C@H](CO)[NH2+]C(C)C)c1C ZINC000085286271 179003949 /nfs/dbraw/zinc/00/39/49/179003949.db2.gz OZXOCXQNRGNSSY-AWEZNQCLSA-N 1 0 251.370 2.350 10 0 CEAERO CC[NH2+][C@](C)(CO)CCCOc1ccc(F)c(F)c1 ZINC000085286809 179004629 /nfs/dbraw/zinc/00/46/29/179004629.db2.gz HJLZKLVGSMOHQC-AWEZNQCLSA-N 1 0 273.323 2.484 10 0 CEAERO Cc1ccnc(S[C@H](C)C[C@](C)(CO)[NH2+]C(C)C)n1 ZINC000085287844 179004844 /nfs/dbraw/zinc/00/48/44/179004844.db2.gz INIIXQCBTINPOD-TZMCWYRMSA-N 1 0 283.441 2.405 10 0 CEAERO C[NH2+][C@](C)(CO)CSc1ccc(C(F)(F)F)cn1 ZINC000085291806 179006981 /nfs/dbraw/zinc/00/69/81/179006981.db2.gz DHPOLTAAXBRAFP-SNVBAGLBSA-N 1 0 280.315 2.163 10 0 CEAERO C[NH2+][C@](C)(CO)C[C@H](C)Sc1nc2ccccc2[nH]1 ZINC000085291715 179007461 /nfs/dbraw/zinc/00/74/61/179007461.db2.gz PRMMVUWMVXIGSD-HZMBPMFUSA-N 1 0 279.409 2.404 10 0 CEAERO [NH3+][C@@](CO)(CSc1ccc2c(c1)CCC2)C1CC1 ZINC000085292913 179008525 /nfs/dbraw/zinc/00/85/25/179008525.db2.gz YUEDRACGXJCDGO-HNNXBMFYSA-N 1 0 263.406 2.367 10 0 CEAERO C[NH2+][C@](CO)(CSc1ccccc1OC)C1CC1 ZINC000085297593 179009427 /nfs/dbraw/zinc/00/94/27/179009427.db2.gz YPYRKQILWYKVPA-CQSZACIVSA-N 1 0 267.394 2.148 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCCOc1ccccc1OC ZINC000085285391 179003149 /nfs/dbraw/zinc/00/31/49/179003149.db2.gz BGPPXMVPCSCAOB-OAHLLOKOSA-N 1 0 267.369 2.215 10 0 CEAERO COc1ccccc1OCC[C@](C)(CO)[NH2+]C(C)C ZINC000085285376 179003171 /nfs/dbraw/zinc/00/31/71/179003171.db2.gz NRLPQYXKYVLINO-OAHLLOKOSA-N 1 0 267.369 2.213 10 0 CEAERO Cc1cc(C)cc(N(C)CCC[C@@](C)(O)C[NH3+])c1 ZINC000085303717 179011178 /nfs/dbraw/zinc/01/11/78/179011178.db2.gz WQRFIXWGTTXACC-OAHLLOKOSA-N 1 0 250.386 2.230 10 0 CEAERO C[C@@](O)(C[NH3+])CCCn1ccnc1-c1cccs1 ZINC000085304886 179011877 /nfs/dbraw/zinc/01/18/77/179011877.db2.gz RXNZJHWOXSNEEP-ZDUSSCGKSA-N 1 0 265.382 2.102 10 0 CEAERO C[C@H]1C[C@H](OC[C@@](O)(C[NH3+])C2CC2)CC(C)(C)C1 ZINC000085305691 179012049 /nfs/dbraw/zinc/01/20/49/179012049.db2.gz SSTRQHTVSZJUEK-WHOFXGATSA-N 1 0 255.402 2.318 10 0 CEAERO COCc1cccc(OCCCC[C@](C)(O)C[NH3+])c1 ZINC000085305158 179012156 /nfs/dbraw/zinc/01/21/56/179012156.db2.gz HRAGEIGFMGYGNV-HNNXBMFYSA-N 1 0 267.369 2.092 10 0 CEAERO Cc1cc(C(C)(C)C)ccc1OC[C@@](C)(O)C[NH3+] ZINC000085307573 179012466 /nfs/dbraw/zinc/01/24/66/179012466.db2.gz WPRBLZWRHPMUJD-HNNXBMFYSA-N 1 0 251.370 2.381 10 0 CEAERO C[C@@H](NC(=O)CS[C@@H](C)C[NH3+])c1cccs1 ZINC000085306332 179012639 /nfs/dbraw/zinc/01/26/39/179012639.db2.gz ORJLIKBAIYKZOL-DTWKUNHWSA-N 1 0 258.412 2.006 10 0 CEAERO [NH3+]C[C@@](O)(CSc1ccc2c(c1)CCC2)C1CC1 ZINC000085308787 179013382 /nfs/dbraw/zinc/01/33/82/179013382.db2.gz NDYRQTFQOGOXCE-OAHLLOKOSA-N 1 0 263.406 2.367 10 0 CEAERO COc1ccccc1S[C@@H](C)C[C@@](C)(O)C[NH3+] ZINC000085320473 179014400 /nfs/dbraw/zinc/01/44/00/179014400.db2.gz BVZFKILFOYEDLL-GXFFZTMASA-N 1 0 255.383 2.276 10 0 CEAERO CC(C)C[C@@H](C)[N@H+](C)C[C@@](O)(CN)c1ccccc1 ZINC000085301394 179010229 /nfs/dbraw/zinc/01/02/29/179010229.db2.gz HAAJEMOSNDNNOX-ZBFHGGJFSA-N 1 0 264.413 2.199 10 0 CEAERO COc1cc(NC(=O)[C@H]2CCC[C@H]2[NH3+])c(OC)cc1Cl ZINC000085355681 179030425 /nfs/dbraw/zinc/03/04/25/179030425.db2.gz NCOHZACPBGAPNX-WCBMZHEXSA-N 1 0 298.770 2.423 10 0 CEAERO Cc1ccc(CN(C)C(=O)[C@@H]2CCCC[C@H]2[NH3+])o1 ZINC000085358363 179031304 /nfs/dbraw/zinc/03/13/04/179031304.db2.gz ZZCPECZICKSPKD-CHWSQXEVSA-N 1 0 250.342 2.064 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)NCCc1cccc(F)c1 ZINC000085358666 179031377 /nfs/dbraw/zinc/03/13/77/179031377.db2.gz LOFFGGYWRFQJCI-KBPBESRZSA-N 1 0 264.344 2.002 10 0 CEAERO C[C@H](NC(=O)[C@H]1CCC[C@@H]1[NH3+])c1ccc(F)cc1F ZINC000085360614 179033060 /nfs/dbraw/zinc/03/30/60/179033060.db2.gz DWEGURPVBBPXER-QWRKXWFKSA-N 1 0 268.307 2.269 10 0 CEAERO CC[C@@H](NC(=O)[C@H]1CCC[C@@H]1[NH3+])c1ccccc1OC ZINC000085361855 179033528 /nfs/dbraw/zinc/03/35/28/179033528.db2.gz YEURCWCKGSBKBB-FPMFFAJLSA-N 1 0 276.380 2.390 10 0 CEAERO [NH3+][C@H]1COC[C@@H]1c1nc2cc(Cl)ccc2s1 ZINC000085352941 179029713 /nfs/dbraw/zinc/02/97/13/179029713.db2.gz BDHCNQJDGPQBQO-YUMQZZPRSA-N 1 0 254.742 2.391 10 0 CEAERO COc1ccc2nc(NC(=O)[C@H]3CCC[C@@H]3[NH3+])sc2c1 ZINC000085356419 179030154 /nfs/dbraw/zinc/03/01/54/179030154.db2.gz RCXHHPXSVPUSST-UWVGGRQHSA-N 1 0 291.376 2.371 10 0 CEAERO CN(Cc1ccc(OC(F)F)cc1)C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085366544 179036921 /nfs/dbraw/zinc/03/69/21/179036921.db2.gz WBVNIWOBPDNYOK-CHWSQXEVSA-N 1 0 298.333 2.374 10 0 CEAERO Cc1ccc(CN(C)C(=O)[C@@H]2CCC[C@@H]2[NH3+])c(C)c1 ZINC000085367966 179037606 /nfs/dbraw/zinc/03/76/06/179037606.db2.gz RMKHBGLYXKGSAF-CABCVRRESA-N 1 0 260.381 2.389 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)N(Cc1cccnc1)C1CC1 ZINC000085367232 179037744 /nfs/dbraw/zinc/03/77/44/179037744.db2.gz DLLABNTYUHQANI-HUUCEWRRSA-N 1 0 273.380 2.090 10 0 CEAERO C[C@@H](c1ccc(F)cc1)N(C)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085367521 179037777 /nfs/dbraw/zinc/03/77/77/179037777.db2.gz CPTVYVBEOPVDOX-GDLCADMTSA-N 1 0 264.344 2.473 10 0 CEAERO COc1ccccc1[C@@H](C)N(C)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085368147 179038152 /nfs/dbraw/zinc/03/81/52/179038152.db2.gz YYUGCOIBMJTFJI-BNOWGMLFSA-N 1 0 276.380 2.342 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000085368096 179038237 /nfs/dbraw/zinc/03/82/37/179038237.db2.gz CUFZAZJYUOODEW-HUUCEWRRSA-N 1 0 276.355 2.444 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000085368926 179038581 /nfs/dbraw/zinc/03/85/81/179038581.db2.gz QNCOXPJYYVJEMZ-PMPSAXMXSA-N 1 0 288.391 2.104 10 0 CEAERO CCOC(=O)c1ccc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000085372138 179041732 /nfs/dbraw/zinc/04/17/32/179041732.db2.gz HIXSMTIZFDZBFH-KBPBESRZSA-N 1 0 290.363 2.319 10 0 CEAERO CC(=O)c1cccc(NC(=O)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000085372112 179041888 /nfs/dbraw/zinc/04/18/88/179041888.db2.gz ZMAQRRVXOCICNV-UONOGXRCSA-N 1 0 260.337 2.345 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)N1CC[C@H](c2ccccc2)C1 ZINC000085373778 179042896 /nfs/dbraw/zinc/04/28/96/179042896.db2.gz GREADKDXPQFRHJ-ZNMIVQPWSA-N 1 0 258.365 2.130 10 0 CEAERO CC(C)CO[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CCCC2)C1(C)C ZINC000085399692 179051216 /nfs/dbraw/zinc/05/12/16/179051216.db2.gz MNYZIWHMIYSMQO-HUUCEWRRSA-N 1 0 296.455 2.428 10 0 CEAERO CC[NH2+]C[C@H]1CCCCN1c1ncc(Br)cn1 ZINC000111751446 136532401 /nfs/dbraw/zinc/53/24/01/136532401.db2.gz WYNWFVONKBEBPK-LLVKDONJSA-N 1 0 299.216 2.208 10 0 CEAERO CCOC(=O)CC[NH2+][C@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000085401495 179052492 /nfs/dbraw/zinc/05/24/92/179052492.db2.gz DFCYJPUNCJLSRF-QWHCGFSZSA-N 1 0 271.401 2.369 10 0 CEAERO C(C1CCOCC1)[N@@H+]1CCNC2(CCCCC2)C1 ZINC000085435379 179062341 /nfs/dbraw/zinc/06/23/41/179062341.db2.gz MGPQGQYCUPGZON-UHFFFAOYSA-N 1 0 252.402 2.021 10 0 CEAERO FC(F)(F)COCCCN1CC[NH2+]C2(CCCC2)C1 ZINC000085435341 179062372 /nfs/dbraw/zinc/06/23/72/179062372.db2.gz SHOPSHLPFLAVPW-UHFFFAOYSA-N 1 0 280.334 2.173 10 0 CEAERO CCC[C@@H]1CNC(C)(C)C[N@@H+]1C[C@@H]1CCCCO1 ZINC000085469603 179074864 /nfs/dbraw/zinc/07/48/64/179074864.db2.gz JUPDQBVIKZASNL-KGLIPLIRSA-N 1 0 254.418 2.408 10 0 CEAERO CCC[C@H]1C[N@H+](CCCOC)C2(CCCC2)CN1 ZINC000085466260 179071815 /nfs/dbraw/zinc/07/18/15/179071815.db2.gz QUZDBJKFNKVZMN-AWEZNQCLSA-N 1 0 254.418 2.410 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@H](C(C)C)CN1Cc1cnn(C)c1 ZINC000085450891 179065404 /nfs/dbraw/zinc/06/54/04/179065404.db2.gz KLXCNNAHGNSUSS-HUUCEWRRSA-N 1 0 264.417 2.019 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1Cc1cnn(CC)c1 ZINC000085450569 179065617 /nfs/dbraw/zinc/06/56/17/179065617.db2.gz HYXLDCKFDBXWFJ-HUUCEWRRSA-N 1 0 264.417 2.111 10 0 CEAERO CC[C@H](C)[C@@H]1CNCC[N@@H+]1[C@@H]1CCC[C@H](OC)C1 ZINC000085452853 179065969 /nfs/dbraw/zinc/06/59/69/179065969.db2.gz FYHXTIZHVFSARF-XGUBFFRZSA-N 1 0 254.418 2.264 10 0 CEAERO CC(C)OCCN1CC[NH2+]C[C@H]1C1CCCCC1 ZINC000085452933 179066999 /nfs/dbraw/zinc/06/69/99/179066999.db2.gz TZMFCCFLNPVCES-HNNXBMFYSA-N 1 0 254.418 2.266 10 0 CEAERO CCC1(CC)CN[C@H](C)C[N@@H+]1CC1CCOCC1 ZINC000085454344 179067266 /nfs/dbraw/zinc/06/72/66/179067266.db2.gz DXNYUQXNKSCSGX-CYBMUJFWSA-N 1 0 254.418 2.266 10 0 CEAERO CCCCOCCN1C[C@H](C)[NH2+]C[C@@]1(C)C1CC1 ZINC000085454630 179067977 /nfs/dbraw/zinc/06/79/77/179067977.db2.gz HOMRLWPLMRTEBH-ZFWWWQNUSA-N 1 0 254.418 2.266 10 0 CEAERO CCC[C@H]1CN(Cc2cnn(CC)c2)C(C)(C)C[NH2+]1 ZINC000085455529 179068010 /nfs/dbraw/zinc/06/80/10/179068010.db2.gz QUAZIJSNVRBTOJ-AWEZNQCLSA-N 1 0 264.417 2.256 10 0 CEAERO CC(C)C[C@@H]1CN[C@@H](C)C[N@@H+]1C[C@@H]1CCCCO1 ZINC000085454849 179068085 /nfs/dbraw/zinc/06/80/85/179068085.db2.gz CGKUOIFJSVMVAG-ZNMIVQPWSA-N 1 0 254.418 2.264 10 0 CEAERO CCC[C@@H]1C[N@H+](C[C@@H]2CCOC2)[C@H](C(C)C)CN1 ZINC000085455248 179068124 /nfs/dbraw/zinc/06/81/24/179068124.db2.gz XACAGTVKJGQJFQ-ZNMIVQPWSA-N 1 0 254.418 2.121 10 0 CEAERO CCC[C@H]1C[NH2+][C@@H](CC)CN1CCOCC(F)(F)F ZINC000085472592 179077474 /nfs/dbraw/zinc/07/74/74/179077474.db2.gz SBRGGWRZYTTXEY-RYUDHWBXSA-N 1 0 282.350 2.418 10 0 CEAERO CC(C)[C@H]1CN[C@@H](C(C)(C)C)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085475964 179078799 /nfs/dbraw/zinc/07/87/99/179078799.db2.gz VFDMRFSNWXDCFH-RRFJBIMHSA-N 1 0 268.445 2.367 10 0 CEAERO CC[C@@H]1CN(CCn2cccn2)C(CC)(CC)C[NH2+]1 ZINC000085474669 179078872 /nfs/dbraw/zinc/07/88/72/179078872.db2.gz LSCRPNSOBVQRNT-CQSZACIVSA-N 1 0 264.417 2.126 10 0 CEAERO CC[C@@]1(C)CN(Cc2ncccn2)[C@H](C(C)C)C[NH2+]1 ZINC000085495359 179082074 /nfs/dbraw/zinc/08/20/74/179082074.db2.gz YRMIRUBPQRTEHT-ZFWWWQNUSA-N 1 0 262.401 2.075 10 0 CEAERO CC(C)[C@@H]1CN[C@@H](c2ccccc2)C[N@@H+]1[C@@H]1CCOC1 ZINC000085506262 179085010 /nfs/dbraw/zinc/08/50/10/179085010.db2.gz PLSRNSHIYRTPEE-ZACQAIPSSA-N 1 0 274.408 2.446 10 0 CEAERO CCC[C@@H]1CN[C@](C)(C2CC2)C[N@@H+]1CCn1ccnc1C ZINC000085511463 179085783 /nfs/dbraw/zinc/08/57/83/179085783.db2.gz GXIGKLQKPVPWTQ-SJORKVTESA-N 1 0 290.455 2.434 10 0 CEAERO C[C@]1(C2CC2)C[N@H+](CCCn2ccnc2)[C@H](C2CC2)CN1 ZINC000085513517 179086508 /nfs/dbraw/zinc/08/65/08/179086508.db2.gz LSVBWZQNPUSMMM-DLBZAZTESA-N 1 0 288.439 2.126 10 0 CEAERO C[C@@]1(C2CC2)CN(CC(F)F)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085516106 179087731 /nfs/dbraw/zinc/08/77/31/179087731.db2.gz ODHPEMXMCNQXTM-UONOGXRCSA-N 1 0 258.356 2.494 10 0 CEAERO Cn1cc(CN2C[C@@](C)(C3CC3)[NH2+]C[C@@]2(C)C2CC2)cn1 ZINC000085516476 179087824 /nfs/dbraw/zinc/08/78/24/179087824.db2.gz AYVURHCYJKYLCW-IRXDYDNUSA-N 1 0 288.439 2.163 10 0 CEAERO CCOCC[N@@H+]1C[C@](C)(C2CC2)NCC12CCCC2 ZINC000085515692 179088041 /nfs/dbraw/zinc/08/80/41/179088041.db2.gz OCCDMLSNFLCQLO-OAHLLOKOSA-N 1 0 266.429 2.410 10 0 CEAERO CC(C)[C@H]1CN[C@@H](C2CC2)C[N@@H+]1C[C@@H]1CCCCO1 ZINC000085524417 179088342 /nfs/dbraw/zinc/08/83/42/179088342.db2.gz NIVLTTGRVACFNW-ARFHVFGLSA-N 1 0 266.429 2.264 10 0 CEAERO CC[C@@]1(C)CN(CCOCC(F)(F)F)C(C)(C)C[NH2+]1 ZINC000085496356 179082915 /nfs/dbraw/zinc/08/29/15/179082915.db2.gz TXIZQKQGNWMILP-LBPRGKRZSA-N 1 0 282.350 2.418 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@H](C2CC2)CN1Cc1cccnc1 ZINC000085523878 179088561 /nfs/dbraw/zinc/08/85/61/179088561.db2.gz DUUKBEQOJIVLCM-HZPDHXFCSA-N 1 0 259.397 2.434 10 0 CEAERO CC1(C)CNC2(CCCCC2)C[N@@H+]1C[C@H]1CCOC1 ZINC000085503537 179084077 /nfs/dbraw/zinc/08/40/77/179084077.db2.gz XTQBLTHHZSKMSN-CQSZACIVSA-N 1 0 266.429 2.410 10 0 CEAERO CC[C@@]1(C)C[NH2+]C2(CCCCC2)CN1CCOCCOC ZINC000085503717 179084431 /nfs/dbraw/zinc/08/44/31/179084431.db2.gz MPVDWLPWNDIXNP-INIZCTEOSA-N 1 0 298.471 2.426 10 0 CEAERO CC(C)Cc1nc2c(n1C[C@@H]1CCCCO1)CC[NH2+]C2 ZINC000085572424 179097492 /nfs/dbraw/zinc/09/74/92/179097492.db2.gz AGSHSUCSPFUTSF-ZDUSSCGKSA-N 1 0 277.412 2.296 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@H](C2CC2)CN1Cc1ccncc1 ZINC000085524714 179088949 /nfs/dbraw/zinc/08/89/49/179088949.db2.gz PKYUJCOSIKVYPL-HOTGVXAUSA-N 1 0 259.397 2.290 10 0 CEAERO COc1cccc(CN2C[C@H](C3CC3)[NH2+]C[C@@H]2C2CC2)n1 ZINC000085526341 179089978 /nfs/dbraw/zinc/08/99/78/179089978.db2.gz ICDJHMZKAPDOQO-HZPDHXFCSA-N 1 0 287.407 2.053 10 0 CEAERO CC[C@]1(C)C[NH2+][C@@H](C2CC2)CN1Cc1cccc(OC)n1 ZINC000085528443 179090262 /nfs/dbraw/zinc/09/02/62/179090262.db2.gz IHFLABSFHMQBHB-NVXWUHKLSA-N 1 0 289.423 2.443 10 0 CEAERO COCCC[N@@H+]1C[C@H](C2CC2)NCC12CCCCC2 ZINC000085529229 179090365 /nfs/dbraw/zinc/09/03/65/179090365.db2.gz BSQODFJSPJJZEJ-OAHLLOKOSA-N 1 0 266.429 2.410 10 0 CEAERO COc1cccc(CN2C[C@H](C3CC3)[NH2+]CC2(C)C)n1 ZINC000085527878 179090471 /nfs/dbraw/zinc/09/04/71/179090471.db2.gz YYFVDSUCRUVWPT-CQSZACIVSA-N 1 0 275.396 2.053 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@@H](C2CC2)CN1CC(F)(F)F ZINC000085528580 179090517 /nfs/dbraw/zinc/09/05/17/179090517.db2.gz JXJKUVAMUUCHIO-MNOVXSKESA-N 1 0 250.308 2.401 10 0 CEAERO Cc1cccc(CSCC(=O)N2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000602595921 347093247 /nfs/dbraw/zinc/09/32/47/347093247.db2.gz ZGOMNHAJYWDGLX-DZGCQCFKSA-N 1 0 292.448 2.281 10 0 CEAERO CC(C)OCCN1C[C@H](C2CC2)[NH2+]CC12CCCC2 ZINC000085528991 179090969 /nfs/dbraw/zinc/09/09/69/179090969.db2.gz RMWLSKLSYULFSR-OAHLLOKOSA-N 1 0 266.429 2.408 10 0 CEAERO C[C@H]1C[NH2+][C@H](C2CCCCC2)CN1C[C@@H]1CCCO1 ZINC000085529673 179091738 /nfs/dbraw/zinc/09/17/38/179091738.db2.gz OUHPQCCIXKKKHO-BPUTZDHNSA-N 1 0 266.429 2.408 10 0 CEAERO C[C@@H]1C[NH2+][C@H](C2CCCCC2)CN1[C@@H]1CCOC1 ZINC000085529686 179091947 /nfs/dbraw/zinc/09/19/47/179091947.db2.gz NEYBGSFNXFRBHZ-YUELXQCFSA-N 1 0 252.402 2.018 10 0 CEAERO CC[NH2+][C@H]1CCOC[C@H]1Oc1cc(C)ccc1F ZINC000085554800 179093268 /nfs/dbraw/zinc/09/32/68/179093268.db2.gz NOMHLLAXQJCYCL-GXTWGEPZSA-N 1 0 253.317 2.280 10 0 CEAERO CCc1nc2c(n1-c1cc(OC)ccc1OC)CC[NH2+]C2 ZINC000085568834 179095319 /nfs/dbraw/zinc/09/53/19/179095319.db2.gz WPKNMVNFJAIUJL-UHFFFAOYSA-N 1 0 287.363 2.098 10 0 CEAERO CC(C)(C)c1nc2c(n1CC1CCOCC1)CC[NH2+]C2 ZINC000085571429 179096938 /nfs/dbraw/zinc/09/69/38/179096938.db2.gz CTCNQQDNXRGGBT-UHFFFAOYSA-N 1 0 277.412 2.253 10 0 CEAERO CC(C)Cc1nc2c(n1[C@H]1CCCC[C@H]1O)CC[NH2+]C2 ZINC000085571263 179096976 /nfs/dbraw/zinc/09/69/76/179096976.db2.gz MQBIJCKLDNBKMC-LSDHHAIUSA-N 1 0 277.412 2.203 10 0 CEAERO [NH3+]Cc1cnn(Cc2sccc2Br)c1 ZINC000063169682 362754321 /nfs/dbraw/zinc/75/43/21/362754321.db2.gz GURPUHCMGVPAOW-UHFFFAOYSA-N 1 0 272.171 2.214 10 0 CEAERO c1ccc(C[C@@H]2CN(Cc3cccnc3)CCC[NH2+]2)cc1 ZINC000085608811 179101559 /nfs/dbraw/zinc/10/15/59/179101559.db2.gz FWWOLYSOCNJQSD-GOSISDBHSA-N 1 0 281.403 2.488 10 0 CEAERO CC[C@@H](C)[C@H]1CN(Cc2cnn(CC)c2)CCC[NH2+]1 ZINC000085609533 179101672 /nfs/dbraw/zinc/10/16/72/179101672.db2.gz KSMKAUGUXJUZKW-UKRRQHHQSA-N 1 0 264.417 2.113 10 0 CEAERO CC(C)n1ccc(CN2CCC[NH2+][C@@](C)(C3CC3)C2)n1 ZINC000085613237 179102557 /nfs/dbraw/zinc/10/25/57/179102557.db2.gz SVEYUHTVVXXEGY-MRXNPFEDSA-N 1 0 276.428 2.428 10 0 CEAERO C([C@@H]1CCOC1)[N@@H+]1CCCN[C@H](C2CCCCC2)C1 ZINC000085615352 179103717 /nfs/dbraw/zinc/10/37/17/179103717.db2.gz YNNOCPDXUVLTQD-HOCLYGCPSA-N 1 0 266.429 2.267 10 0 CEAERO CN(CC[C@H]1CSCC[NH2+]1)Cc1cccs1 ZINC000085615404 179104031 /nfs/dbraw/zinc/10/40/31/179104031.db2.gz AVZRCYUMEXCRGW-NSHDSACASA-N 1 0 256.440 2.275 10 0 CEAERO C[C@@]1(c2ccccc2)C[N@H+](CCn2cccn2)CCCN1 ZINC000085615677 179104801 /nfs/dbraw/zinc/10/48/01/179104801.db2.gz YMARVBWAUWODIT-KRWDZBQOSA-N 1 0 284.407 2.094 10 0 CEAERO C[C@@H]1CC[NH2+]C2(CCCCC2)CN1Cc1cnn(C)c1 ZINC000085621182 179105128 /nfs/dbraw/zinc/10/51/28/179105128.db2.gz CJEOEBYTNBFCHE-CQSZACIVSA-N 1 0 276.428 2.307 10 0 CEAERO C[C@H](Cn1cccn1)[NH2+][C@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085674125 179111860 /nfs/dbraw/zinc/11/18/60/179111860.db2.gz NFPCITAKCZSZNQ-RFGFWPKPSA-N 1 0 263.385 2.065 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CN3CCC2CC3)C12CCCC2 ZINC000085678060 179112403 /nfs/dbraw/zinc/11/24/03/179112403.db2.gz VSKGAKYRGKISFA-BZUAXINKSA-N 1 0 278.440 2.408 10 0 CEAERO CN(C)c1cc[nH+]cc1N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000085632077 179107792 /nfs/dbraw/zinc/10/77/92/179107792.db2.gz FBFQGZZIBKNDMY-HONMWMINSA-N 1 0 261.369 2.373 10 0 CEAERO Cn1cc([C@@H]2CC[N@H+](Cc3cccc4c3OCO4)C2)cn1 ZINC000128409659 187369492 /nfs/dbraw/zinc/36/94/92/187369492.db2.gz GVFOTXTZXYQIKI-GFCCVEGCSA-N 1 0 285.347 2.138 10 0 CEAERO Cc1cc([C@@H]([NH2+]C(C)C)C(N)=O)ccc1Br ZINC000085707262 179121948 /nfs/dbraw/zinc/12/19/48/179121948.db2.gz KDFIPWWYJRUHTM-LLVKDONJSA-N 1 0 285.185 2.282 10 0 CEAERO CN1CCN(Cc2cc(C[NH3+])co2)c2ccccc21 ZINC000104268468 136554326 /nfs/dbraw/zinc/55/43/26/136554326.db2.gz MGSMHCKBDPORGX-UHFFFAOYSA-N 1 0 257.337 2.195 10 0 CEAERO Cc1ccc2c(c1)CCCN2C(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000111263593 136561381 /nfs/dbraw/zinc/56/13/81/136561381.db2.gz FTRVICXYNLXYQO-GXTWGEPZSA-N 1 0 258.365 2.130 10 0 CEAERO C[C@H]([NH2+][C@H](CN(C)C)c1ccccc1)[C@H]1CCCO1 ZINC000336816844 365858978 /nfs/dbraw/zinc/85/89/78/365858978.db2.gz NOMNIVKBFYYXBO-NUEKZKHPSA-N 1 0 262.397 2.446 10 0 CEAERO C[NH+](C)C[C@H](O)Cc1ccc(Br)cc1F ZINC000085794148 179172165 /nfs/dbraw/zinc/17/21/65/179172165.db2.gz CZMXHUMEBISPSF-SNVBAGLBSA-N 1 0 276.149 2.053 10 0 CEAERO CC[C@@H](NC(=O)[C@@]1([NH3+])CCOC1)c1cccc(Cl)c1 ZINC000085870226 179192644 /nfs/dbraw/zinc/19/26/44/179192644.db2.gz OHOGLWYXHYZDNM-TZMCWYRMSA-N 1 0 282.771 2.025 10 0 CEAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cnc2ccccc2n1 ZINC000085963351 179204881 /nfs/dbraw/zinc/20/48/81/179204881.db2.gz APVNJXOBLGOPPF-MLGOLLRUSA-N 1 0 271.364 2.271 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1CNC(=O)c1cccc2ncccc21 ZINC000085966447 179205883 /nfs/dbraw/zinc/20/58/83/179205883.db2.gz ISDXHALSOZCSHJ-IUODEOHRSA-N 1 0 283.375 2.482 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1CNC(=O)Nc1cccc(F)c1 ZINC000085970184 179206687 /nfs/dbraw/zinc/20/66/87/179206687.db2.gz FWUBDKPELBIETG-GWCFXTLKSA-N 1 0 265.332 2.465 10 0 CEAERO CCC[NH2+][C@H](CCO)CN(CC)C1CCCCC1 ZINC000085921531 179200458 /nfs/dbraw/zinc/20/04/58/179200458.db2.gz PQLOSCMEIYDWDD-CQSZACIVSA-N 1 0 256.434 2.392 10 0 CEAERO CCC[NH2+][C@@H](CCO)CN(CC(C)C)CC(C)C ZINC000085921895 179200675 /nfs/dbraw/zinc/20/06/75/179200675.db2.gz DYGOSDXJRXCPKM-HNNXBMFYSA-N 1 0 258.450 2.351 10 0 CEAERO CCC[NH2+][C@H](CCO)C[S@](=O)c1ccc(C)cc1C ZINC000085926665 179202061 /nfs/dbraw/zinc/20/20/61/179202061.db2.gz GFYZKQBJQSZKSU-AUUYWEPGSA-N 1 0 283.437 2.162 10 0 CEAERO C[C@@H](O)CC[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000086014528 179215302 /nfs/dbraw/zinc/21/53/02/179215302.db2.gz WDLVBFATCWILDH-SKDRFNHKSA-N 1 0 277.286 2.099 10 0 CEAERO C[C@@H](O)CC[NH2+]C[C@H](O)c1cc(Cl)ccc1Cl ZINC000085989690 179213530 /nfs/dbraw/zinc/21/35/30/179213530.db2.gz WSATYDGFHQSQDL-PELKAZGASA-N 1 0 278.179 2.387 10 0 CEAERO CC[NH2+][C@H]1CC[C@@H](S(=O)(=O)CC2CCCC2)[C@@H]1C ZINC000086042134 179222874 /nfs/dbraw/zinc/22/28/74/179222874.db2.gz DPPOLFAMJRXWKK-KWCYVHTRSA-N 1 0 273.442 2.368 10 0 CEAERO CCC[NH2+][C@@H]1CC[C@@H](Sc2n[nH]c(C)n2)[C@@H]1C ZINC000086046055 179223194 /nfs/dbraw/zinc/22/31/94/179223194.db2.gz GRSONMATZFUOAC-FBIMIBRVSA-N 1 0 254.403 2.372 10 0 CEAERO C[C@@H]1CC[C@@H](NC(=O)c2cccc(CC[NH3+])c2)[C@@H]1C ZINC000086068850 179224161 /nfs/dbraw/zinc/22/41/61/179224161.db2.gz RUPOYTQLDLEJJM-LALPHHSUSA-N 1 0 260.381 2.352 10 0 CEAERO C[C@@H]1CC[C@H](NC(=O)[C@@H]([NH3+])Cc2ccccc2)[C@@H]1C ZINC000086076479 179225860 /nfs/dbraw/zinc/22/58/60/179225860.db2.gz LUTGZTCGWDFWGE-UXOAXIEHSA-N 1 0 260.381 2.107 10 0 CEAERO C[C@@H]1[C@@H](C)CC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1F ZINC000086075898 179226020 /nfs/dbraw/zinc/22/60/20/179226020.db2.gz LFBCROFAEWZNER-RBZYPMLTSA-N 1 0 264.344 2.449 10 0 CEAERO CCC[NH2+][C@H](Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000086026050 179219531 /nfs/dbraw/zinc/21/95/31/179219531.db2.gz AHDHATHGNHJYBG-DZGCQCFKSA-N 1 0 299.411 2.171 10 0 CEAERO CCCCS(=O)(=O)[C@@H]1CC[C@H]([NH2+]CCC)[C@@H]1C ZINC000086041493 179221938 /nfs/dbraw/zinc/22/19/38/179221938.db2.gz ZYMBYPNFCBBVIR-RWMBFGLXSA-N 1 0 261.431 2.368 10 0 CEAERO CCCCS(=O)(=O)[C@H]1CC[C@@H]([NH2+]CCC)[C@@H]1C ZINC000086041498 179222250 /nfs/dbraw/zinc/22/22/50/179222250.db2.gz ZYMBYPNFCBBVIR-XQQFMLRXSA-N 1 0 261.431 2.368 10 0 CEAERO CC[C@@H]1CC[C@H](NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)[C@@H]1C ZINC000086094716 179229651 /nfs/dbraw/zinc/22/96/51/179229651.db2.gz ZQECPIFGWYDRLV-OYNZBZHQSA-N 1 0 290.407 2.203 10 0 CEAERO NNc1cccc(COc2cncc(Br)c2)[nH+]1 ZINC000086117849 179234729 /nfs/dbraw/zinc/23/47/29/179234729.db2.gz HONLMQXKWHTKRS-UHFFFAOYSA-N 1 0 295.140 2.104 10 0 CEAERO CC[C@](C[NH3+])(C1CC1)N(C)Cc1csc(C)n1 ZINC000086120510 179234913 /nfs/dbraw/zinc/23/49/13/179234913.db2.gz OYRKDVWXIWXVKB-ZDUSSCGKSA-N 1 0 253.415 2.401 10 0 CEAERO CCC[C@H]1CN(CCc2cccc(F)c2)CC[NH2+]1 ZINC000086128082 179235280 /nfs/dbraw/zinc/23/52/80/179235280.db2.gz FNUAZSZBYHWNEO-HNNXBMFYSA-N 1 0 250.361 2.442 10 0 CEAERO COc1ccc(CCN2CC[NH2+]C3(CCCC3)C2)cc1 ZINC000086122923 179235302 /nfs/dbraw/zinc/23/53/02/179235302.db2.gz OGIIFDIFJYLUHK-UHFFFAOYSA-N 1 0 274.408 2.456 10 0 CEAERO CCn1cc(N2CC[NH2+][C@@H](C3CCCCC3)C2)cn1 ZINC000086127942 179236181 /nfs/dbraw/zinc/23/61/81/179236181.db2.gz UYAIYSTVINMHFA-OAHLLOKOSA-N 1 0 262.401 2.262 10 0 CEAERO CC(C)(C)[NH2+]CC(=O)Nc1ncc(Br)s1 ZINC000086137730 179236961 /nfs/dbraw/zinc/23/69/61/179236961.db2.gz GOPPCGYXQOPNDL-UHFFFAOYSA-N 1 0 292.202 2.232 10 0 CEAERO Cc1ncc(CN2CC[NH2+]C3(CCCC3)C2)s1 ZINC000086144113 179237456 /nfs/dbraw/zinc/23/74/56/179237456.db2.gz MFJORZYHTHVFOE-UHFFFAOYSA-N 1 0 251.399 2.170 10 0 CEAERO Cc1nc(CN2CC[NH2+]C3(CCCC3)C2)cs1 ZINC000086144213 179237481 /nfs/dbraw/zinc/23/74/81/179237481.db2.gz FQGBEPMUXBOGSF-UHFFFAOYSA-N 1 0 251.399 2.170 10 0 CEAERO Cc1csc(CN2CC[NH2+][C@@](C)(C3CC3)C2)n1 ZINC000086144309 179237631 /nfs/dbraw/zinc/23/76/31/179237631.db2.gz SCMCJHGSWXBJAN-CYBMUJFWSA-N 1 0 251.399 2.025 10 0 CEAERO C[C@@H]1[C@@H](C)CC[C@@H]1n1nnnc1C[NH2+]C(C)(C)C ZINC000086082225 179228301 /nfs/dbraw/zinc/22/83/01/179228301.db2.gz AUUBHHHEBKAZGU-AXFHLTTASA-N 1 0 251.378 2.168 10 0 CEAERO CC[C@@H]1CC[C@H](NC(=O)C2(C[NH3+])CCCC2)[C@@H]1C ZINC000086084122 179228697 /nfs/dbraw/zinc/22/86/97/179228697.db2.gz WASHOYRVJUOGFO-UPJWGTAASA-N 1 0 252.402 2.446 10 0 CEAERO CC[C@H]1CC[C@@H](NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)[C@@H]1C ZINC000086094227 179228860 /nfs/dbraw/zinc/22/88/60/179228860.db2.gz ZQZSAEVCJLFUHF-XZUYRWCXSA-N 1 0 292.345 2.469 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)Nc2ccccc2Br)C1 ZINC000086089428 179229055 /nfs/dbraw/zinc/22/90/55/179229055.db2.gz TZICVGDMESUDDY-DTWKUNHWSA-N 1 0 281.153 2.291 10 0 CEAERO COc1ccc(CN2CC[NH2+][C@H](C3CCCCC3)C2)cn1 ZINC000086148617 179239934 /nfs/dbraw/zinc/23/99/34/179239934.db2.gz GWPCBBHTXUULRD-INIZCTEOSA-N 1 0 289.423 2.444 10 0 CEAERO CCC1(CC)CN(Cc2scnc2C)CC[NH2+]1 ZINC000086149042 179239954 /nfs/dbraw/zinc/23/99/54/179239954.db2.gz GVUPQEKJAQPNBC-UHFFFAOYSA-N 1 0 253.415 2.416 10 0 CEAERO CC(C)[C@H]1C[N@@H+]([C@@H]2CCc3ccccc3C2)CCN1 ZINC000086147118 179240059 /nfs/dbraw/zinc/24/00/59/179240059.db2.gz PQDIGJNIBHIFCW-IAGOWNOFSA-N 1 0 258.409 2.474 10 0 CEAERO CC(C)(C)[C@H]1CN([C@@H]2COc3ccccc32)CC[NH2+]1 ZINC000086150088 179240496 /nfs/dbraw/zinc/24/04/96/179240496.db2.gz ALZBPLVCAKYWOY-UKRRQHHQSA-N 1 0 260.381 2.440 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(c2cnn(C)c2)[C@H](C(C)C)C[NH2+]1 ZINC000086154171 179241113 /nfs/dbraw/zinc/24/11/13/179241113.db2.gz FASZLCIGJOMJTO-SNPRPXQTSA-N 1 0 264.417 2.269 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C(C)C)CN1Cc1cscn1 ZINC000086175749 179245392 /nfs/dbraw/zinc/24/53/92/179245392.db2.gz DAJQHEJVXIWONY-QWHCGFSZSA-N 1 0 253.415 2.352 10 0 CEAERO COC[C@H](C)C[N@@H+]1C[C@@H](C(C)C)NC[C@@H]1C(C)C ZINC000086174274 179245559 /nfs/dbraw/zinc/24/55/59/179245559.db2.gz WDMCCLWLHHAHEP-QLFBSQMISA-N 1 0 256.434 2.223 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](Cc2ccccc2)CN1[C@@H]1CCCOC1 ZINC000086175688 179245730 /nfs/dbraw/zinc/24/57/30/179245730.db2.gz QTCCXTXLSBWDBK-HYVNUMGLSA-N 1 0 274.408 2.070 10 0 CEAERO CC[C@H](C)[C@H]1C[N@H+](C[C@@H](C)COC)[C@@H](CC)CN1 ZINC000086174262 179245910 /nfs/dbraw/zinc/24/59/10/179245910.db2.gz NMUZBTCUDMMQQJ-CBBWQLFWSA-N 1 0 256.434 2.367 10 0 CEAERO C[C@@H]([C@H]1CCCO1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000086177082 179246953 /nfs/dbraw/zinc/24/69/53/179246953.db2.gz BEJJZLKQJSHGBW-NUEKZKHPSA-N 1 0 260.381 2.200 10 0 CEAERO COc1cc(CN2CC[NH2+][C@@H](c3ccccc3)C2)ccn1 ZINC000086148573 179239493 /nfs/dbraw/zinc/23/94/93/179239493.db2.gz LBDWCODMCLHEJK-MRXNPFEDSA-N 1 0 283.375 2.237 10 0 CEAERO Cc1cccc(CN2CC[NH2+]C3(CCCCC3)C2)n1 ZINC000086147037 179239609 /nfs/dbraw/zinc/23/96/09/179239609.db2.gz MMVGHACHBLQSFH-UHFFFAOYSA-N 1 0 259.397 2.498 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](c2ccccc2)CN1c1cnn(C)c1 ZINC000086218333 179249253 /nfs/dbraw/zinc/24/92/53/179249253.db2.gz YCOSJWVNWFWJJY-GOEBONIOSA-N 1 0 270.380 2.350 10 0 CEAERO C[C@@H]1C[NH2+][C@H](C2CCCCC2)CN1c1cnn(C)c1 ZINC000086218312 179249289 /nfs/dbraw/zinc/24/92/89/179249289.db2.gz XPTKQUCYUOMDPN-DOMZBBRYSA-N 1 0 262.401 2.167 10 0 CEAERO CC[C@@H]1CN[C@@](C)(C2CC2)C[N@@H+]1C1CCOCC1 ZINC000086218762 179250806 /nfs/dbraw/zinc/25/08/06/179250806.db2.gz PILMQVKGUYUJOB-UKRRQHHQSA-N 1 0 252.402 2.018 10 0 CEAERO CC[C@H]1CN[C@@H](CC(C)C)C[N@@H+]1C1CCOCC1 ZINC000086218861 179250988 /nfs/dbraw/zinc/25/09/88/179250988.db2.gz QCOKWMGKTLPYRN-KBPBESRZSA-N 1 0 254.418 2.264 10 0 CEAERO CC(C)(O)CCOc1ccc(Br)cc1C[NH3+] ZINC000086234011 179254618 /nfs/dbraw/zinc/25/46/18/179254618.db2.gz YPXUAQJJRIEAAD-UHFFFAOYSA-N 1 0 288.185 2.448 10 0 CEAERO Cc1cc(CN2C[C@@H](C3CC3)[NH2+]C[C@@H]2C(C)C)on1 ZINC000086260380 179259005 /nfs/dbraw/zinc/25/90/05/179259005.db2.gz OJFJVLQUXYQKBY-LSDHHAIUSA-N 1 0 263.385 2.191 10 0 CEAERO CC[C@@H]1CN[C@](C)(CC)C[N@@H+]1C[C@@H]1CCCOC1 ZINC000086260121 179259019 /nfs/dbraw/zinc/25/90/19/179259019.db2.gz CRODZUOMMZYCDQ-RRFJBIMHSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@@H]1CN(Cc2cc(C)on2)[C@H](C(C)C)C[NH2+]1 ZINC000086259829 179259117 /nfs/dbraw/zinc/25/91/17/179259117.db2.gz AVHAJVBKQFNDKF-OCCSQVGLSA-N 1 0 251.374 2.191 10 0 CEAERO CC[C@@H]1C[NH2+][C@@](C)(CC)CN1Cc1cnc(C)cn1 ZINC000086263085 179259754 /nfs/dbraw/zinc/25/97/54/179259754.db2.gz XYFFRXSIKVPFIB-CABCVRRESA-N 1 0 262.401 2.138 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC(C)C)CN1Cc1cnc(C)cn1 ZINC000086263117 179259816 /nfs/dbraw/zinc/25/98/16/179259816.db2.gz UEYYDZMTZSHXRA-GOEBONIOSA-N 1 0 276.428 2.384 10 0 CEAERO CC(C)[C@H]1CN[C@@](C)(C2CC2)C[N@@H+]1[C@@H]1CCCOC1 ZINC000086265154 179260826 /nfs/dbraw/zinc/26/08/26/179260826.db2.gz WGBBRGIBTJYTGB-BZUAXINKSA-N 1 0 266.429 2.264 10 0 CEAERO CC[C@@H]1CN(Cc2ccc(OC)nc2)[C@H](C(C)C)C[NH2+]1 ZINC000086263929 179260896 /nfs/dbraw/zinc/26/08/96/179260896.db2.gz KACBRSVFHUYPNR-CABCVRRESA-N 1 0 277.412 2.299 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C2CC2)CN1CCc1nccs1 ZINC000086264318 179260919 /nfs/dbraw/zinc/26/09/19/179260919.db2.gz LDEHKHGCWNLLQM-QWHCGFSZSA-N 1 0 265.426 2.148 10 0 CEAERO COc1cc(CN2C[C@H](C(C)(C)C)[NH2+]C[C@@H]2C)ccn1 ZINC000086263864 179261170 /nfs/dbraw/zinc/26/11/70/179261170.db2.gz ZKOZVEHGMCRLNN-GXTWGEPZSA-N 1 0 277.412 2.299 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC(C)C)CN1Cc1nccn1C ZINC000086264881 179261368 /nfs/dbraw/zinc/26/13/68/179261368.db2.gz HUULTARFJNKPAN-UONOGXRCSA-N 1 0 264.417 2.019 10 0 CEAERO C[C@@H]1C[NH2+]C(C)(C)CN1CCOC1CCCCC1 ZINC000086265799 179261809 /nfs/dbraw/zinc/26/18/09/179261809.db2.gz QXGIOAPHAVDEQG-CYBMUJFWSA-N 1 0 254.418 2.408 10 0 CEAERO COc1ccc(CN2C[C@H](C3CC3)[NH2+]C[C@@H]2C)c(OC)c1 ZINC000086265268 179262099 /nfs/dbraw/zinc/26/20/99/179262099.db2.gz MUXXLMOCYBCQPO-BLLLJJGKSA-N 1 0 290.407 2.276 10 0 CEAERO CC[C@@H]1CN[C@@H](C(C)(C)C)C[N@@H+]1[C@@H]1CCCOC1 ZINC000086265167 179262165 /nfs/dbraw/zinc/26/21/65/179262165.db2.gz GFQWSDZFOZTCHQ-MGPQQGTHSA-N 1 0 254.418 2.264 10 0 CEAERO C[N@@H+]1CC[C@H](Nc2nc(Br)cs2)C1 ZINC000086279304 179262625 /nfs/dbraw/zinc/26/26/25/179262625.db2.gz PSFPKPOPIFAUQT-LURJTMIESA-N 1 0 262.176 2.022 10 0 CEAERO CN(CC(C)(C)O)[C@H](C[NH3+])c1ccc(Cl)s1 ZINC000086273462 179262766 /nfs/dbraw/zinc/26/27/66/179262766.db2.gz JXXLJROEZSAIDM-MRVPVSSYSA-N 1 0 262.806 2.104 10 0 CEAERO CC[C@]1(C)CN(Cc2cnc(C)s2)CCC[NH2+]1 ZINC000086289951 179264571 /nfs/dbraw/zinc/26/45/71/179264571.db2.gz YHXVIHYQLGILLT-CYBMUJFWSA-N 1 0 253.415 2.416 10 0 CEAERO Cn1cc(N2CCC[NH2+][C@@H](C3CCCCC3)C2)cn1 ZINC000086287145 179265008 /nfs/dbraw/zinc/26/50/08/179265008.db2.gz IGQJHXOXZXDZTC-OAHLLOKOSA-N 1 0 262.401 2.169 10 0 CEAERO CC(C)[C@H]1CN[C@H](C2CC2)C[N@@H+]1CC[C@@H]1CCCO1 ZINC000086258812 179256596 /nfs/dbraw/zinc/25/65/96/179256596.db2.gz IUCUOGTZAILJBH-HRCADAONSA-N 1 0 266.429 2.264 10 0 CEAERO CC[C@H]1CN[C@@](C)(C2CC2)C[N@@H+]1CC[C@@H]1CCCO1 ZINC000086258769 179257339 /nfs/dbraw/zinc/25/73/39/179257339.db2.gz BODGCBXZNIAJFF-HRCADAONSA-N 1 0 266.429 2.408 10 0 CEAERO CCCN1C(=O)C[C@H]([NH3+])[C@H]1c1ccc2ccccc2n1 ZINC000086317443 179270252 /nfs/dbraw/zinc/27/02/52/179270252.db2.gz BFXHICOKHGHYFJ-LRDDRELGSA-N 1 0 269.348 2.246 10 0 CEAERO CN1C(=O)CCC[C@@H]([NH3+])[C@@H]1c1ccc2ccccc2n1 ZINC000086317418 179270484 /nfs/dbraw/zinc/27/04/84/179270484.db2.gz JNYCWOVONSPKGI-MLGOLLRUSA-N 1 0 269.348 2.246 10 0 CEAERO Cc1csc(CCN2CCC[NH2+][C@@H](C(C)C)C2)n1 ZINC000086296802 179267761 /nfs/dbraw/zinc/26/77/61/179267761.db2.gz PMZGGFHDMVBDHP-CYBMUJFWSA-N 1 0 267.442 2.314 10 0 CEAERO CC[C@]1(C)CN(CCOC2CCCC2)CCC[NH2+]1 ZINC000086297998 179268674 /nfs/dbraw/zinc/26/86/74/179268674.db2.gz BEOIERCSOAKBBZ-OAHLLOKOSA-N 1 0 254.418 2.410 10 0 CEAERO CC(C)[C@@H]1CN(CCOC2CCCC2)CCC[NH2+]1 ZINC000086298021 179268921 /nfs/dbraw/zinc/26/89/21/179268921.db2.gz HWJYJCFDWULTFB-HNNXBMFYSA-N 1 0 254.418 2.266 10 0 CEAERO CSCC[N@@H+]1CCCN[C@@H](c2ccccc2)C1 ZINC000086298468 179268955 /nfs/dbraw/zinc/26/89/55/179268955.db2.gz DIYCMSTXTOUPQT-CQSZACIVSA-N 1 0 250.411 2.386 10 0 CEAERO COc1ccc(Br)c(CC2C[NH2+]C2)c1 ZINC000086395102 179284985 /nfs/dbraw/zinc/28/49/85/179284985.db2.gz IRSGCDSBJOPNAV-UHFFFAOYSA-N 1 0 256.143 2.220 10 0 CEAERO COCCC1(c2cccc(Br)c2)C[NH2+]C1 ZINC000086396488 179285064 /nfs/dbraw/zinc/28/50/64/179285064.db2.gz AFHWNIPHQUGUFE-UHFFFAOYSA-N 1 0 270.170 2.327 10 0 CEAERO [NH3+][C@H]1CC[C@H](OCc2ccc(Br)o2)C1 ZINC000086405834 179286004 /nfs/dbraw/zinc/28/60/04/179286004.db2.gz WFDPIBBDGJQYEC-YUMQZZPRSA-N 1 0 260.131 2.439 10 0 CEAERO [NH3+][C@@H]1CCC[C@H](Oc2ncccc2Br)C1 ZINC000086409027 179286348 /nfs/dbraw/zinc/28/63/48/179286348.db2.gz ASLIGMXBFFOBFM-BDAKNGLRSA-N 1 0 271.158 2.493 10 0 CEAERO C[C@@H]1CN(c2nc3c(s2)CCC[C@@H]3[NH3+])C[C@@H](C)O1 ZINC000086442197 179294123 /nfs/dbraw/zinc/29/41/23/179294123.db2.gz YJVUAEXKRHWGJK-BBBLOLIVSA-N 1 0 267.398 2.093 10 0 CEAERO CC[C@@H]1CN(C(=O)c2ccc(C)cc2O)[C@H](CC)C[NH2+]1 ZINC000086448152 179295437 /nfs/dbraw/zinc/29/54/37/179295437.db2.gz OLKDPQYSIKDZGY-CHWSQXEVSA-N 1 0 276.380 2.303 10 0 CEAERO CC[C@H]1CN(C(=O)c2ccc(OC)cc2)[C@@H](CC)C[NH2+]1 ZINC000086446991 179295852 /nfs/dbraw/zinc/29/58/52/179295852.db2.gz FUAQJBBQQXIYJC-KBPBESRZSA-N 1 0 276.380 2.298 10 0 CEAERO CC(C)[C@@H]([NH3+])Cc1nc([C@@H]2Cc3ccccc32)no1 ZINC000086492143 179302329 /nfs/dbraw/zinc/30/23/29/179302329.db2.gz APEYUZLLDNIKCJ-OLZOCXBDSA-N 1 0 257.337 2.283 10 0 CEAERO [NH3+][C@@H](Cc1nc([C@@H]2Cc3ccccc32)no1)C1CC1 ZINC000086492028 179302482 /nfs/dbraw/zinc/30/24/82/179302482.db2.gz JSWMUCMZQFXBIE-OLZOCXBDSA-N 1 0 255.321 2.037 10 0 CEAERO CCc1nc([C@@H]2Cc3ccccc32)[nH+]c(NN)c1C ZINC000086490654 179302597 /nfs/dbraw/zinc/30/25/97/179302597.db2.gz MXMPKMVPZNNHHT-GFCCVEGCSA-N 1 0 254.337 2.321 10 0 CEAERO C[NH2+][C@H](C)c1cccc(NS(=O)(=O)CC2CC2)c1 ZINC000086497125 179302900 /nfs/dbraw/zinc/30/29/00/179302900.db2.gz YDMDIAFZRSFILK-SNVBAGLBSA-N 1 0 268.382 2.119 10 0 CEAERO C[NH2+][C@@H](C)c1ccccc1NS(=O)(=O)CC1CC1 ZINC000086497134 179303529 /nfs/dbraw/zinc/30/35/29/179303529.db2.gz XCOBSZSBOIYSMC-JTQLQIEISA-N 1 0 268.382 2.119 10 0 CEAERO CCN1C(=[NH2+])NC[C@@H]1c1ccc(Br)c(C)c1 ZINC000086459481 179296203 /nfs/dbraw/zinc/29/62/03/179296203.db2.gz RMNCHRNICOUXBZ-LLVKDONJSA-N 1 0 282.185 2.449 10 0 CEAERO CCN1C(=[NH2+])NC[C@H]1c1ccc(Br)cc1 ZINC000086458924 179296272 /nfs/dbraw/zinc/29/62/72/179296272.db2.gz AXCBPPIGRXFDSW-JTQLQIEISA-N 1 0 268.158 2.140 10 0 CEAERO C[NH2+][C@H](Cc1cc(Br)cs1)C(OC)OC ZINC000086452145 179296553 /nfs/dbraw/zinc/29/65/53/179296553.db2.gz BBQZSLVPMHGNNP-SECBINFHSA-N 1 0 294.214 2.260 10 0 CEAERO COc1ccc(C2(C[NH3+])CC3(C2)CCOCC3)cc1 ZINC000086539805 179307133 /nfs/dbraw/zinc/30/71/33/179307133.db2.gz SVSFURGQPWUKQP-UHFFFAOYSA-N 1 0 261.365 2.482 10 0 CEAERO C[NH2+][C@]1(CO)CC[C@H](Sc2nc(C)cs2)C1 ZINC000086636045 179315269 /nfs/dbraw/zinc/31/52/69/179315269.db2.gz SXKPZNLTHWQVLW-GXSJLCMTSA-N 1 0 258.412 2.047 10 0 CEAERO Cn1c2ccc(C[NH3+])cc2nc1[C@@H](O)c1ccccc1 ZINC000086641267 179315377 /nfs/dbraw/zinc/31/53/77/179315377.db2.gz JQTPHJIWFOSNIB-HNNXBMFYSA-N 1 0 267.332 2.114 10 0 CEAERO CN(C)C[C@H]([NH3+])Cc1cc(F)cc(Br)c1 ZINC000086696403 179320542 /nfs/dbraw/zinc/32/05/42/179320542.db2.gz RCERJYPCVRQNEF-LLVKDONJSA-N 1 0 275.165 2.020 10 0 CEAERO CC[NH2+][C@@H]1CCOC[C@@H]1Sc1nc(C)c(C)c(C)n1 ZINC000086646618 179316713 /nfs/dbraw/zinc/31/67/13/179316713.db2.gz YLKCIJBUWWPJLL-OLZOCXBDSA-N 1 0 281.425 2.261 10 0 CEAERO CS(=O)(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H]1c1ccccc1 ZINC000086675702 179318600 /nfs/dbraw/zinc/31/86/00/179318600.db2.gz AWMHYUIEEGFJAW-LXTVHRRPSA-N 1 0 279.405 2.098 10 0 CEAERO CS(=O)(=O)[C@@H]1CCC[C@@H]1[NH2+]CCSc1ccccc1 ZINC000086675295 179318748 /nfs/dbraw/zinc/31/87/48/179318748.db2.gz GNJYLXZTNVAQLM-UONOGXRCSA-N 1 0 299.461 2.334 10 0 CEAERO C[C@H]1CCC[C@]1(C[NH3+])N1CCOc2ccccc2C1 ZINC000086677260 179319190 /nfs/dbraw/zinc/31/91/90/179319190.db2.gz QFFQRUVLQIRTLU-XJKSGUPXSA-N 1 0 260.381 2.399 10 0 CEAERO CC1CCC(C[NH2+][C@@H]2CCC[C@H]2S(C)(=O)=O)CC1 ZINC000086676036 179319476 /nfs/dbraw/zinc/31/94/76/179319476.db2.gz PKDFQGPHXFXTCH-NWINJMCUSA-N 1 0 273.442 2.368 10 0 CEAERO Nc1cc(Br)ccc1C[NH2+]C[C@H]1CCOC1 ZINC000086706404 179322240 /nfs/dbraw/zinc/32/22/40/179322240.db2.gz ZVGMYZZZCOYBPC-SECBINFHSA-N 1 0 285.185 2.157 10 0 CEAERO CCCNC(=O)[C@H](C)OC1(C[NH3+])CCC(C(C)C)CC1 ZINC000086713476 179322854 /nfs/dbraw/zinc/32/28/54/179322854.db2.gz XJGHRBIRDADXDK-HLIUYOAVSA-N 1 0 284.444 2.461 10 0 CEAERO CCCC1CCC(C[NH3+])(O[C@H](C)C(=O)N(C)C)CC1 ZINC000086713318 179322948 /nfs/dbraw/zinc/32/29/48/179322948.db2.gz YBIBIJIPFAUXBP-DNOWBOINSA-N 1 0 270.417 2.168 10 0 CEAERO CCC[NH+]1CCC([N@@H+]2CCC[C@](CC)(C(=O)[O-])C2)CC1 ZINC000086784319 179332302 /nfs/dbraw/zinc/33/23/02/179332302.db2.gz YCKZDTHENVZRCX-INIZCTEOSA-N 1 0 282.428 2.438 10 0 CEAERO CCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000086786685 179333096 /nfs/dbraw/zinc/33/30/96/179333096.db2.gz SHROEXUGEZWSPC-OCCSQVGLSA-N 1 0 268.401 2.094 10 0 CEAERO C[N@@H+]1CCC[C@@H](Nc2ccc(-n3nccn3)cc2)CC1 ZINC000086818422 179347241 /nfs/dbraw/zinc/34/72/41/179347241.db2.gz DAZPNOBZNNVHPM-CYBMUJFWSA-N 1 0 271.368 2.164 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cccn1Cc1ccccc1 ZINC000309795088 539598584 /nfs/dbraw/zinc/59/85/84/539598584.db2.gz JGTKVOVBVNMGHL-GDBMZVCRSA-N 1 0 297.402 2.407 10 0 CEAERO CC(C)N[C@@]1(c2nccs2)CCC[N@H+](C)CC1 ZINC000086833714 179350213 /nfs/dbraw/zinc/35/02/13/179350213.db2.gz LEJHLJKSANFMTI-ZDUSSCGKSA-N 1 0 253.415 2.452 10 0 CEAERO C[N@@H+]1CCC[C@](CO)(Nc2ccc(F)cc2)CC1 ZINC000086834286 179350228 /nfs/dbraw/zinc/35/02/28/179350228.db2.gz XFUYTKPBZMEFMZ-AWEZNQCLSA-N 1 0 252.333 2.084 10 0 CEAERO CC(C)[N@@H+]1CCC[C@H](N[C@@H](C)c2nnc3n2CCC3)CC1 ZINC000086840395 179351071 /nfs/dbraw/zinc/35/10/71/179351071.db2.gz GWECIKCHUIDIPE-KBPBESRZSA-N 1 0 291.443 2.138 10 0 CEAERO CCC[N@@H+]1CCC[C@@H](NCc2nnc3ccccn32)CC1 ZINC000086836779 179351376 /nfs/dbraw/zinc/35/13/76/179351376.db2.gz NWKLRDAEQGNPQD-CQSZACIVSA-N 1 0 287.411 2.083 10 0 CEAERO CC[N@@H+]1CCC[C@H](Nc2ccc(CC(=O)NC)cc2)CC1 ZINC000086838749 179351552 /nfs/dbraw/zinc/35/15/52/179351552.db2.gz ANNXZMYEDRZWGT-HNNXBMFYSA-N 1 0 289.423 2.261 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2ccc(C(N)=O)cc2C)CC1 ZINC000086838661 179351702 /nfs/dbraw/zinc/35/17/02/179351702.db2.gz KGBBDIXKOCPZQO-CQSZACIVSA-N 1 0 275.396 2.380 10 0 CEAERO CCn1cc(N[C@@H]2CCC[N@H+](CC)CC2)ccc1=O ZINC000086841367 179353527 /nfs/dbraw/zinc/35/35/27/179353527.db2.gz GRUDNAGNDNSQEM-CYBMUJFWSA-N 1 0 263.385 2.155 10 0 CEAERO CCC[N@@H+]1CCC[C@@H](NCc2cnc(C)cn2)CC1 ZINC000086844451 179355579 /nfs/dbraw/zinc/35/55/79/179355579.db2.gz AMDATNWYYWACHJ-CQSZACIVSA-N 1 0 262.401 2.139 10 0 CEAERO CC[N@@H+]1CCC[C@@](CO)(Nc2cccc(OC)c2)CC1 ZINC000086868131 179360181 /nfs/dbraw/zinc/36/01/81/179360181.db2.gz QOHJYSUVVMXRRV-MRXNPFEDSA-N 1 0 278.396 2.344 10 0 CEAERO CCOC(=O)[C@H](C(C)C)[C@@]1(O)CCC[N@H+](CC)CC1 ZINC000086868356 179360732 /nfs/dbraw/zinc/36/07/32/179360732.db2.gz XITDIVGQPTUEOL-DZGCQCFKSA-N 1 0 271.401 2.059 10 0 CEAERO CCC[C@@](C)([NH2+][C@H]1CCC[N@H+](CC)CC1)C(=O)[O-] ZINC000086868642 179362004 /nfs/dbraw/zinc/36/20/04/179362004.db2.gz JSZHDUFNWNITQX-GXTWGEPZSA-N 1 0 256.390 2.094 10 0 CEAERO CC[C@@H](C)n1ccc(C[C@@]2([NH3+])CCCOCC2)n1 ZINC000086870535 179363405 /nfs/dbraw/zinc/36/34/05/179363405.db2.gz SHRAHKHMVREZGR-TZMCWYRMSA-N 1 0 251.374 2.295 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH3+])c1ccc(F)c(F)c1 ZINC000086978592 179372368 /nfs/dbraw/zinc/37/23/68/179372368.db2.gz WALIIKGHFCYDDF-LBPRGKRZSA-N 1 0 277.336 2.180 10 0 CEAERO CCCn1nccc1[C@H]([NH3+])[C@@H]1CSCCS1 ZINC000086983854 179373981 /nfs/dbraw/zinc/37/39/81/179373981.db2.gz GDNXQDXCNVHPCQ-QWRGUYRKSA-N 1 0 257.428 2.142 10 0 CEAERO CCC[NH2+][C@@H](CCCS(=O)(=O)CC)C1CCC1 ZINC000086979850 179373073 /nfs/dbraw/zinc/37/30/73/179373073.db2.gz ABOONZBXLPSVOG-ZDUSSCGKSA-N 1 0 261.431 2.370 10 0 CEAERO CCS(=O)(=O)CCC[C@@H](C[NH3+])Cc1ccc(F)cc1 ZINC000086980671 179373399 /nfs/dbraw/zinc/37/33/99/179373399.db2.gz VITLWCZMTUHCND-CYBMUJFWSA-N 1 0 287.400 2.158 10 0 CEAERO CC[C@@](C)(CCCS(=O)(=O)CC)C[NH2+]C1CC1 ZINC000086981146 179373445 /nfs/dbraw/zinc/37/34/45/179373445.db2.gz QMPZOWREAMHZMB-ZDUSSCGKSA-N 1 0 261.431 2.370 10 0 CEAERO CC(C)[C@@H]1CCC[C@](C[NH3+])(N2CCn3cnnc3C2)CC1 ZINC000086949093 179369022 /nfs/dbraw/zinc/36/90/22/179369022.db2.gz MVZSLIWQGOGAJQ-ZBFHGGJFSA-N 1 0 291.443 2.028 10 0 CEAERO CCn1ccnc1[C@H]([NH2+]C)[C@@H]1CSCCS1 ZINC000086984935 179374057 /nfs/dbraw/zinc/37/40/57/179374057.db2.gz ABKQEHLXULYSLG-VHSXEESVSA-N 1 0 257.428 2.012 10 0 CEAERO COC(=O)[C@]1(N2CCC[NH2+]CC2)CCC[C@H](C(C)C)CC1 ZINC000086949810 179369085 /nfs/dbraw/zinc/36/90/85/179369085.db2.gz LTRKPSUSOZTWOH-RDJZCZTQSA-N 1 0 296.455 2.430 10 0 CEAERO COCCCc1noc(CC[C@@H](CC[NH3+])C(C)C)n1 ZINC000086963065 179369483 /nfs/dbraw/zinc/36/94/83/179369483.db2.gz PDDSQRQJNCCYDG-LBPRGKRZSA-N 1 0 269.389 2.202 10 0 CEAERO C[NH2+][C@H](c1cnccc1C)[C@@H]1CSCCS1 ZINC000086984800 179373868 /nfs/dbraw/zinc/37/38/68/179373868.db2.gz LOJMBSYCWGOIFC-NWDGAFQWSA-N 1 0 254.424 2.499 10 0 CEAERO CC[NH2+][C@H](CC)[C@H](C)c1nc(CCCOC)no1 ZINC000086972130 179370564 /nfs/dbraw/zinc/37/05/64/179370564.db2.gz CBIXYNDVXVKCKE-WDEREUQCSA-N 1 0 255.362 2.140 10 0 CEAERO CC[NH2+][C@@H](CC)[C@@H](C)c1nc(CCCOC)no1 ZINC000086972123 179370910 /nfs/dbraw/zinc/37/09/10/179370910.db2.gz CBIXYNDVXVKCKE-MNOVXSKESA-N 1 0 255.362 2.140 10 0 CEAERO CC[NH2+][C@H](CCCOC)Cc1ccn(C(C)C)n1 ZINC000086970525 179370922 /nfs/dbraw/zinc/37/09/22/179370922.db2.gz YIZGANFTQMQVFW-CYBMUJFWSA-N 1 0 253.390 2.411 10 0 CEAERO CCC1CCC([NH3+])(CCCS(=O)(=O)CC)CC1 ZINC000086977265 179372133 /nfs/dbraw/zinc/37/21/33/179372133.db2.gz RJVKSHLDDOYLHL-UHFFFAOYSA-N 1 0 261.431 2.499 10 0 CEAERO CC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(O)c(OC)c1 ZINC000087011318 179379210 /nfs/dbraw/zinc/37/92/10/179379210.db2.gz YOZZANNEJWOQIW-IINYFYTJSA-N 1 0 253.342 2.212 10 0 CEAERO CC[C@@](C)(O)C[NH2+]CC(=O)Nc1cccc(Cl)c1 ZINC000087028091 179381840 /nfs/dbraw/zinc/38/18/40/179381840.db2.gz SUQCBTVUHPKGHS-CYBMUJFWSA-N 1 0 270.760 2.029 10 0 CEAERO COc1ccc([C@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1F ZINC000086992142 179375295 /nfs/dbraw/zinc/37/52/95/179375295.db2.gz FVPCGXLGTFNUPV-HOCLYGCPSA-N 1 0 275.323 2.438 10 0 CEAERO COc1ccc([C@@H]2[C@H](C[NH3+])CCN2C2CC2)cc1F ZINC000086994946 179376080 /nfs/dbraw/zinc/37/60/80/179376080.db2.gz POAADTGAXKWGIQ-XHDPSFHLSA-N 1 0 264.344 2.318 10 0 CEAERO COc1ccc([C@H]2[C@H]([NH3+])CCC(=O)N2C(C)C)cc1F ZINC000086995174 179376297 /nfs/dbraw/zinc/37/62/97/179376297.db2.gz MKJPMHPZEUPUMN-DOMZBBRYSA-N 1 0 280.343 2.234 10 0 CEAERO CCOC(=O)C[C@@H](c1ccc(OC)c(F)c1)[NH+](C)C ZINC000086995666 179376716 /nfs/dbraw/zinc/37/67/16/179376716.db2.gz ZSJZIZMUALQLGY-LBPRGKRZSA-N 1 0 269.316 2.390 10 0 CEAERO CC[C@@]1(C)C[NH2+]C[C@H](c2ccc3c(c2)OCCO3)O1 ZINC000087006686 179378340 /nfs/dbraw/zinc/37/83/40/179378340.db2.gz SGUVUAKIJCEZJJ-CABCVRRESA-N 1 0 263.337 2.287 10 0 CEAERO CCC1CCC(O)(C[NH2+][C@H]2CCN(C3CC3)C2)CC1 ZINC000087053477 179388802 /nfs/dbraw/zinc/38/88/02/179388802.db2.gz ZCGKVHSRTXJSGH-BBBYJDLNSA-N 1 0 266.429 2.144 10 0 CEAERO CCSCc1nc(C[NH2+]C(C)(C)C)cc(=O)[nH]1 ZINC000087106832 179395784 /nfs/dbraw/zinc/39/57/84/179395784.db2.gz CECIVLYEBMELAS-UHFFFAOYSA-N 1 0 255.387 2.323 10 0 CEAERO CCC[NH2+][C@H](CSCC)Cc1cccnc1N ZINC000087105969 179394646 /nfs/dbraw/zinc/39/46/46/179394646.db2.gz NGWIMIAUGOTGNO-LBPRGKRZSA-N 1 0 253.415 2.328 10 0 CEAERO CCC1CCC(O)(C[NH2+][C@@H]2CCCOCC2)CC1 ZINC000087061572 179389662 /nfs/dbraw/zinc/38/96/62/179389662.db2.gz OLRCCHPCLHZBPK-SHARSMKWSA-N 1 0 255.402 2.476 10 0 CEAERO CCC1CCC(O)(C[NH2+]C[C@@H]2CCCOC2)CC1 ZINC000087061074 179389685 /nfs/dbraw/zinc/38/96/85/179389685.db2.gz UCZVHQJTCWZVIE-SLTAFYQDSA-N 1 0 255.402 2.334 10 0 CEAERO COc1cccc(C[NH2+]C[C@]2(O)CCC[C@@H](C)C2)n1 ZINC000087064090 179389970 /nfs/dbraw/zinc/38/99/70/179389970.db2.gz YHWKXGTUSOKKAK-DOMZBBRYSA-N 1 0 264.369 2.121 10 0 CEAERO CCN(CC)C(=O)[C@@H](C)[NH2+]CC1(O)CCC(C)(C)CC1 ZINC000087063789 179390152 /nfs/dbraw/zinc/39/01/52/179390152.db2.gz UMFXWVNUHIYUTM-CYBMUJFWSA-N 1 0 284.444 2.164 10 0 CEAERO C[C@@H]1CCC[C@@](O)(C[NH2+]Cc2ncc(Cl)n2C)C1 ZINC000087065403 179390177 /nfs/dbraw/zinc/39/01/77/179390177.db2.gz PZOGRXBFJXCNFG-MFKMUULPSA-N 1 0 271.792 2.104 10 0 CEAERO CCC1CCC(O)(CNC(=O)[C@@]2([NH3+])CCC[C@H](C)C2)CC1 ZINC000087070322 179391349 /nfs/dbraw/zinc/39/13/49/179391349.db2.gz SPOWTDYFHIUSCQ-VFNXUKNFSA-N 1 0 296.455 2.342 10 0 CEAERO CC1(C)CCC(O)(CNC(=O)CCCCCC[NH3+])CC1 ZINC000087068936 179391370 /nfs/dbraw/zinc/39/13/70/179391370.db2.gz WFRSSDHYHOMUPL-UHFFFAOYSA-N 1 0 284.444 2.343 10 0 CEAERO CC[C@]1(C(=O)NCC2(O)CCC(C)(C)CC2)CCC[NH2+]C1 ZINC000087068774 179391553 /nfs/dbraw/zinc/39/15/53/179391553.db2.gz QJSGLEREHXEKAY-INIZCTEOSA-N 1 0 296.455 2.214 10 0 CEAERO CCC[NH2+][C@H](CSC(C)C)Cc1cnn(C)c1 ZINC000087114164 179395660 /nfs/dbraw/zinc/39/56/60/179395660.db2.gz WCVYICQCMGPHFL-ZDUSSCGKSA-N 1 0 255.431 2.472 10 0 CEAERO CC[C@H]1C[NH2+]C[C@H](c2cccc(OC)c2OC)O1 ZINC000087090155 179394045 /nfs/dbraw/zinc/39/40/45/179394045.db2.gz FXWGLJWXDBMLMI-GXFFZTMASA-N 1 0 251.326 2.143 10 0 CEAERO CCC[NH2+]Cc1cc(=O)[nH]c(CS[C@H](C)CC)n1 ZINC000087141586 179397572 /nfs/dbraw/zinc/39/75/72/179397572.db2.gz ULOQLXJIRJRIFZ-SNVBAGLBSA-N 1 0 269.414 2.301 10 0 CEAERO CC[C@H](C)SCc1noc(C[C@H]([NH3+])C2CC2)n1 ZINC000087141128 179397635 /nfs/dbraw/zinc/39/76/35/179397635.db2.gz FQVHNOAFQPRIIL-WPRPVWTQSA-N 1 0 255.387 2.381 10 0 CEAERO c1ccc(SCc2noc([C@H]3CC[NH2+]C3)n2)cc1 ZINC000087161512 179398269 /nfs/dbraw/zinc/39/82/69/179398269.db2.gz RGZBWGNYMHPWIY-JTQLQIEISA-N 1 0 261.350 2.439 10 0 CEAERO COCC[NH2+]CC[C@@](C)(O)c1ccc(Cl)s1 ZINC000087337870 179414398 /nfs/dbraw/zinc/41/43/98/179414398.db2.gz VDRXDBNORSWTQB-LLVKDONJSA-N 1 0 263.790 2.235 10 0 CEAERO CCOCC[C@H](O)[C@@H](C[NH3+])c1c(F)cccc1Cl ZINC000087349337 179415017 /nfs/dbraw/zinc/41/50/17/179415017.db2.gz UZSWPRXOUUVIBG-SKDRFNHKSA-N 1 0 275.751 2.309 10 0 CEAERO COc1ccccc1[C@H](C[NH3+])[C@H](O)c1ccc(C)o1 ZINC000087371011 179416700 /nfs/dbraw/zinc/41/67/00/179416700.db2.gz PQDKSRSEXLMWRV-WFASDCNBSA-N 1 0 261.321 2.373 10 0 CEAERO CC(C)[C@H](C[NH3+])NC(=O)Cc1cccc(Br)c1 ZINC000087403689 179419635 /nfs/dbraw/zinc/41/96/35/179419635.db2.gz FJCAGEQZLHQMBA-LBPRGKRZSA-N 1 0 299.212 2.091 10 0 CEAERO Cc1oc(C)c(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])c1C ZINC000087188259 539627483 /nfs/dbraw/zinc/62/74/83/539627483.db2.gz BUCUACZNFRKIJB-NEPJUHHUSA-N 1 0 250.342 2.062 10 0 CEAERO CC[C@@H](c1nc(Cc2csc(C)n2)no1)[C@@H](C)[NH3+] ZINC000104156045 185913262 /nfs/dbraw/zinc/91/32/62/185913262.db2.gz CLNYXECUNNBESQ-GMSGAONNSA-N 1 0 266.370 2.266 10 0 CEAERO CC[NH2+][C@H](Cc1nc(-c2cnn(C)c2)no1)C(C)(C)C ZINC000087427050 179424489 /nfs/dbraw/zinc/42/44/89/179424489.db2.gz MNPQDQMGHKSYAU-LLVKDONJSA-N 1 0 277.372 2.037 10 0 CEAERO C[C@@H]([NH2+][C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C)[C@@H]1CCCO1 ZINC000248632883 539638395 /nfs/dbraw/zinc/63/83/95/539638395.db2.gz WXXDMGAQJIQCAE-SEBNEYGDSA-N 1 0 282.428 2.322 10 0 CEAERO CC(C)([NH3+])C(C)(C)C(=O)N1CCc2ccc(O)cc2C1 ZINC000087628280 179459267 /nfs/dbraw/zinc/45/92/67/179459267.db2.gz HMAXPDNIOOTOQK-UHFFFAOYSA-N 1 0 276.380 2.040 10 0 CEAERO CC[C@@H](C)n1ccc(C[C@@H]([NH2+]C)C2CCOCC2)n1 ZINC000087811194 179489406 /nfs/dbraw/zinc/48/94/06/179489406.db2.gz YJWMERHJASBILW-IUODEOHRSA-N 1 0 265.401 2.411 10 0 CEAERO [NH3+]C1(COc2nc(C3CC3)ns2)CCCCC1 ZINC000087643618 179462857 /nfs/dbraw/zinc/46/28/57/179462857.db2.gz NGSAOSDJOFPTMF-UHFFFAOYSA-N 1 0 253.371 2.456 10 0 CEAERO c1oc(-c2ccc3c(c2)OCCO3)nc1C[NH2+]C1CC1 ZINC000087681083 179469643 /nfs/dbraw/zinc/46/96/43/179469643.db2.gz XPXKQJYGONWHQA-UHFFFAOYSA-N 1 0 272.304 2.365 10 0 CEAERO C[C@H](CCC[C@H](C)[NH3+])C(=O)Nc1cccnc1N(C)C ZINC000087693777 179471278 /nfs/dbraw/zinc/47/12/78/179471278.db2.gz PJVGUGQMICOFMS-NEPJUHHUSA-N 1 0 278.400 2.240 10 0 CEAERO CC[NH2+][C@H](Cc1nc([C@H]2CCCO2)no1)C(C)(C)C ZINC000087803697 179487921 /nfs/dbraw/zinc/48/79/21/179487921.db2.gz NGSCMJOAVKYMPL-GHMZBOCLSA-N 1 0 267.373 2.488 10 0 CEAERO CCC[C@]1(c2nc([C@@H]3CCCO3)no2)CCC[NH2+]C1 ZINC000087801423 179487925 /nfs/dbraw/zinc/48/79/25/179487925.db2.gz NXAOFBJDKBAQIR-FZMZJTMJSA-N 1 0 265.357 2.342 10 0 CEAERO CC[C@H](C[NH3+])C(=O)N1CCC[C@@H]1c1cccs1 ZINC000087524354 179440855 /nfs/dbraw/zinc/44/08/55/179440855.db2.gz JIPPCSWBRZZDTH-GHMZBOCLSA-N 1 0 252.383 2.397 10 0 CEAERO CC(C)[C@@H](C[NH3+])C(=O)N(Cc1ccccn1)C(C)C ZINC000087526770 179441169 /nfs/dbraw/zinc/44/11/69/179441169.db2.gz VKEOKYAXNXTQJK-CQSZACIVSA-N 1 0 263.385 2.050 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)NCc1cccc(Br)c1 ZINC000087533077 179442026 /nfs/dbraw/zinc/44/20/26/179442026.db2.gz XMGDZPKIHHASMB-NSHDSACASA-N 1 0 299.212 2.440 10 0 CEAERO Cc1cc(C[NH2+]CCCC(=O)N(C)C)sc1C ZINC000087580667 179449837 /nfs/dbraw/zinc/44/98/37/179449837.db2.gz JMGPOHYPFNBTOZ-UHFFFAOYSA-N 1 0 254.399 2.323 10 0 CEAERO Cc1cc(C[NH2+]C[C@@H](O)COC(C)C)sc1C ZINC000087581232 179450155 /nfs/dbraw/zinc/45/01/55/179450155.db2.gz SOEXFEAWPFXNDS-GFCCVEGCSA-N 1 0 257.399 2.240 10 0 CEAERO Cc1cc(CNC(=O)[C@@](C)([NH3+])C2CC2)sc1C ZINC000087578239 179450330 /nfs/dbraw/zinc/45/03/30/179450330.db2.gz OLABMOVESRTXFS-ZDUSSCGKSA-N 1 0 252.383 2.109 10 0 CEAERO CC(C)(CCCOc1ccccc1CO)C(N)=[NH2+] ZINC000087610890 179453981 /nfs/dbraw/zinc/45/39/81/179453981.db2.gz IKUHEICMVODCOV-UHFFFAOYSA-N 1 0 250.342 2.300 10 0 CEAERO CCc1nc(O[C@H]2CCC[C@@H](C)C2)cc(NN)[nH+]1 ZINC000087907337 179517175 /nfs/dbraw/zinc/51/71/75/179517175.db2.gz DTPJYLAZOKWJRH-ZJUUUORDSA-N 1 0 250.346 2.282 10 0 CEAERO [NH3+]CCN1CCCC[C@@H](c2cccc3ccnnc32)C1 ZINC000616628384 348539335 /nfs/dbraw/zinc/53/93/35/348539335.db2.gz KJLHQAURVCGCHJ-CQSZACIVSA-N 1 0 270.380 2.158 10 0 CEAERO CC(C)[N@@H+]1CCO[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000616644538 348545528 /nfs/dbraw/zinc/54/55/28/348545528.db2.gz FDXWGAGCHCMWPS-LBPRGKRZSA-N 1 0 272.389 2.010 10 0 CEAERO CCOC(=O)c1cccc([C@@H]2COCCC[N@@H+]2C)c1 ZINC000616649656 348547824 /nfs/dbraw/zinc/54/78/24/348547824.db2.gz PUTARADQOLGRKQ-AWEZNQCLSA-N 1 0 263.337 2.257 10 0 CEAERO [NH3+]C[C@]1(Cc2cccc(F)c2F)CCCC[C@@H]1O ZINC000087931677 179526475 /nfs/dbraw/zinc/52/64/75/179526475.db2.gz WYTAWHABSLONIP-GXTWGEPZSA-N 1 0 255.308 2.387 10 0 CEAERO CCOC(=O)c1ccc([C@H]2C[N@H+](C)CCCO2)cc1 ZINC000616651299 348548583 /nfs/dbraw/zinc/54/85/83/348548583.db2.gz GZNJTLDRKOGIRE-CQSZACIVSA-N 1 0 263.337 2.257 10 0 CEAERO CCC[C@H](C)N(C)c1cc(NN)[nH+]c(SC)n1 ZINC000087854378 179501260 /nfs/dbraw/zinc/50/12/60/179501260.db2.gz NHWWUEVPHGVQRJ-QMMMGPOBSA-N 1 0 255.391 2.109 10 0 CEAERO Cc1ccc2c(c1Br)[C@@H](CC[NH3+])C(=O)N2 ZINC000616569830 348523559 /nfs/dbraw/zinc/52/35/59/348523559.db2.gz NUKSVINJHCLBKQ-SSDOTTSWSA-N 1 0 269.142 2.142 10 0 CEAERO C/C=C/C(=O)N1CC[C@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000616569376 348523732 /nfs/dbraw/zinc/52/37/32/348523732.db2.gz IWZXQWTXOXVFQT-LJJWDDLZSA-N 1 0 262.328 2.045 10 0 CEAERO CC(C)C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C1CCCC1 ZINC000616571701 348524082 /nfs/dbraw/zinc/52/40/82/348524082.db2.gz REAKJSXSIWGWKQ-KBPBESRZSA-N 1 0 252.402 2.317 10 0 CEAERO CC[NH2+][C@@H](Cc1cccc(Cl)c1)[C@H]1COCCO1 ZINC000087858064 179503236 /nfs/dbraw/zinc/50/32/36/179503236.db2.gz QDZOZBRWYDVTSZ-UONOGXRCSA-N 1 0 269.772 2.276 10 0 CEAERO C[N@@H+]1CCc2ccccc2[C@@H]1c1cccc(C(N)=O)c1 ZINC000616587016 348526784 /nfs/dbraw/zinc/52/67/84/348526784.db2.gz JJXQYZYENRQSKR-INIZCTEOSA-N 1 0 266.344 2.363 10 0 CEAERO CC[N@@H+]1CCO[C@H](c2ccccc2NC(C)=O)CC1 ZINC000616593915 348528528 /nfs/dbraw/zinc/52/85/28/348528528.db2.gz MKJPTUQQHPRKRT-HNNXBMFYSA-N 1 0 262.353 2.428 10 0 CEAERO CC[C@H]1CCC[C@H](Nc2nc(NN)[nH+]cc2F)C1 ZINC000087882522 179509664 /nfs/dbraw/zinc/50/96/64/179509664.db2.gz SCLKRTNCPAWSLW-IUCAKERBSA-N 1 0 253.325 2.282 10 0 CEAERO Cc1nc(Nc2cc(F)ccc2F)cc(NN)[nH+]1 ZINC000087885154 179510856 /nfs/dbraw/zinc/51/08/56/179510856.db2.gz GEEDBYCAMKXDAO-UHFFFAOYSA-N 1 0 251.240 2.092 10 0 CEAERO [NH3+]CCN1CCC(c2ccc3cnccc3c2)CC1 ZINC000616619950 348536587 /nfs/dbraw/zinc/53/65/87/348536587.db2.gz SVMGQHJDOAEUMZ-UHFFFAOYSA-N 1 0 255.365 2.373 10 0 CEAERO CN1CCN(C(=[NH2+])[C@@H]2CCc3ccccc3C2)CC1 ZINC000088041488 179538443 /nfs/dbraw/zinc/53/84/43/179538443.db2.gz PQRBSRLCUVUNJL-OAHLLOKOSA-N 1 0 257.381 2.016 10 0 CEAERO COc1cccc(F)c1C(=O)NC[C@@H]1CCC[C@@H](C)[NH2+]1 ZINC000088080032 179545025 /nfs/dbraw/zinc/54/50/25/179545025.db2.gz LHZCBUHMSKGEKK-MNOVXSKESA-N 1 0 280.343 2.095 10 0 CEAERO C[C@@H](C[NH3+])C[S@@](=O)Cc1sccc1Br ZINC000088089945 179547204 /nfs/dbraw/zinc/54/72/04/179547204.db2.gz IUXDSNKRJSEGTC-WJWGPLDTSA-N 1 0 296.255 2.354 10 0 CEAERO CCOCC[C@@H](C[NH2+]CCOC)c1ccccc1 ZINC000088099374 179547261 /nfs/dbraw/zinc/54/72/61/179547261.db2.gz QDGMHGUYFZCZRF-HNNXBMFYSA-N 1 0 251.370 2.433 10 0 CEAERO C[C@@H]([NH3+])CCC(=O)Nc1c2nsnc2ccc1Cl ZINC000088126508 179552701 /nfs/dbraw/zinc/55/27/01/179552701.db2.gz ZFJWHGOSVGRPKD-ZCFIWIBFSA-N 1 0 284.772 2.411 10 0 CEAERO CC[NH2+][C@@H]1CCCc2c(OC[C@@H](C)C(N)=O)cccc21 ZINC000088152100 179557765 /nfs/dbraw/zinc/55/77/65/179557765.db2.gz QYOSYYJLZKJFKD-BXUZGUMPSA-N 1 0 276.380 2.174 10 0 CEAERO CCc1nsc(NCc2ccc(C[NH3+])cc2F)n1 ZINC000087639738 539653087 /nfs/dbraw/zinc/65/30/87/539653087.db2.gz AQSABIBWAABOMK-UHFFFAOYSA-N 1 0 266.345 2.310 10 0 CEAERO C[C@H](O)C[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000088186681 179561023 /nfs/dbraw/zinc/56/10/23/179561023.db2.gz WUMGQNLJMAQSOR-WCBMZHEXSA-N 1 0 258.159 2.262 10 0 CEAERO c1c[nH]c([C@H]2COCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000616662037 348552794 /nfs/dbraw/zinc/55/27/94/348552794.db2.gz FAOWACNPVSHMCP-CQSZACIVSA-N 1 0 257.337 2.026 10 0 CEAERO [NH3+]CCN1c2ccccc2CC[C@@H]1OC(F)(F)F ZINC000616670319 348555738 /nfs/dbraw/zinc/55/57/38/348555738.db2.gz WXXSZXXKFVTYOQ-NSHDSACASA-N 1 0 260.259 2.260 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)N(C)[C@H](C)Cc1ccccc1OC ZINC000088200386 179565127 /nfs/dbraw/zinc/56/51/27/179565127.db2.gz SOZVOKPPPXDIGI-UONOGXRCSA-N 1 0 292.423 2.473 10 0 CEAERO CC(C)(C)OC(=O)N1c2ccccc2NC[C@@H]1C[NH3+] ZINC000616683522 348559485 /nfs/dbraw/zinc/55/94/85/348559485.db2.gz HMUHWBJOVASOJA-JTQLQIEISA-N 1 0 263.341 2.181 10 0 CEAERO CC[N@@H+]1CCO[C@H](c2cccc3ccnnc32)CC1 ZINC000616684113 348560286 /nfs/dbraw/zinc/56/02/86/348560286.db2.gz CKKYMJJZUCBIMF-AWEZNQCLSA-N 1 0 257.337 2.413 10 0 CEAERO [NH3+]CCN1c2ccccc2NC[C@H]1c1ccc(CO)cc1 ZINC000616686849 348561057 /nfs/dbraw/zinc/56/10/57/348561057.db2.gz VIVFASVFFGSUJR-KRWDZBQOSA-N 1 0 283.375 2.111 10 0 CEAERO C[C@H](C[NH3+])CC(=O)NCc1ccc(Br)s1 ZINC000087984622 179530886 /nfs/dbraw/zinc/53/08/86/179530886.db2.gz YBZCYRPLNYMCAU-ZETCQYMHSA-N 1 0 291.214 2.112 10 0 CEAERO c1ccc2c(c1)C[C@H](c1noc([C@@H]3CCC[NH2+]C3)n1)CO2 ZINC000087996476 179532903 /nfs/dbraw/zinc/53/29/03/179532903.db2.gz SINKKKKUWNADQD-OLZOCXBDSA-N 1 0 285.347 2.255 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1c1nc(C2Cc3ccccc3C2)no1 ZINC000087996966 179533579 /nfs/dbraw/zinc/53/35/79/179533579.db2.gz HZJKEBDHLJLOTK-YGRLFVJLSA-N 1 0 269.348 2.275 10 0 CEAERO [NH3+]C[C@]1(CC2CCOCC2)COc2ccccc2C1 ZINC000088007363 179535141 /nfs/dbraw/zinc/53/51/41/179535141.db2.gz JXEZPOBICLJTDT-MRXNPFEDSA-N 1 0 261.365 2.383 10 0 CEAERO C[NH2+]C[C@@]1(CCOc2ccc(OC)cc2)CCOC1 ZINC000088414879 179595397 /nfs/dbraw/zinc/59/53/97/179595397.db2.gz GEWIDOUSUXOCTI-HNNXBMFYSA-N 1 0 265.353 2.090 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)N1CCC(C(F)(F)F)CC1 ZINC000088420901 179598258 /nfs/dbraw/zinc/59/82/58/179598258.db2.gz DLXCKKSJSOAIJK-VIFPVBQESA-N 1 0 266.307 2.175 10 0 CEAERO CC[C@]1(C(=O)Nc2ncccc2Br)CC[NH2+]C1 ZINC000088447096 179604398 /nfs/dbraw/zinc/60/43/98/179604398.db2.gz FKUHTKGJFAPLET-LBPRGKRZSA-N 1 0 298.184 2.172 10 0 CEAERO O[C@H](C[NH2+]CC(C1CC1)C1CC1)c1ccc2c(c1)OCO2 ZINC000088458769 179607886 /nfs/dbraw/zinc/60/78/86/179607886.db2.gz YWKVDMQMSJQMRH-OAHLLOKOSA-N 1 0 289.375 2.475 10 0 CEAERO CCC[NH2+][C@@](C)(CN1CCCCc2ccccc21)C(N)=O ZINC000088334988 179578585 /nfs/dbraw/zinc/57/85/85/179578585.db2.gz VMQNHAWEROCWOA-KRWDZBQOSA-N 1 0 289.423 2.073 10 0 CEAERO CC(C)CCOC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000104194191 185924689 /nfs/dbraw/zinc/92/46/89/185924689.db2.gz JDTWLBKVSONQJB-JTQLQIEISA-N 1 0 253.264 2.118 10 0 CEAERO CC[NH2+][C@@H](Cn1c(=O)oc2cccnc21)C(C)(C)C ZINC000088396915 179591375 /nfs/dbraw/zinc/59/13/75/179591375.db2.gz FCSFTIHJOGYCAO-NSHDSACASA-N 1 0 263.341 2.014 10 0 CEAERO COc1cccc(OC[C@H](O)[C@H]([NH3+])Cc2ccccc2)c1 ZINC000088397934 179591780 /nfs/dbraw/zinc/59/17/80/179591780.db2.gz FMMPYFIXBDAFJK-SJORKVTESA-N 1 0 287.359 2.005 10 0 CEAERO CCC[NH2+][C@H](Cc1cccs1)Cc1ncnn1C ZINC000088582026 179629377 /nfs/dbraw/zinc/62/93/77/179629377.db2.gz HDTWFJHIPGGGRG-LLVKDONJSA-N 1 0 264.398 2.030 10 0 CEAERO CCC1CCC([C@@H](Cc2ncnn2C)[NH2+]C)CC1 ZINC000088582415 179630084 /nfs/dbraw/zinc/63/00/84/179630084.db2.gz YNMYNPQLQAVLCL-WXRRBKDZSA-N 1 0 250.390 2.162 10 0 CEAERO CC(C)C[NH2+]C[C@@H](Cc1ncnn1C)CC(C)C ZINC000088583031 179630154 /nfs/dbraw/zinc/63/01/54/179630154.db2.gz FFJWSSJCDJYLMB-CYBMUJFWSA-N 1 0 252.406 2.266 10 0 CEAERO CC[NH2+][C@@H]1CCC[C@H]1Cc1ncnn1CC(C)C ZINC000088597559 179633174 /nfs/dbraw/zinc/63/31/74/179633174.db2.gz HXMKRQLSMQTLGE-QWHCGFSZSA-N 1 0 250.390 2.255 10 0 CEAERO CC(C)Cn1ncnc1C[C@H]([NH3+])Cc1ccc(F)cc1 ZINC000088610181 179637895 /nfs/dbraw/zinc/63/78/95/179637895.db2.gz WTUKDKOGDPRAIO-CQSZACIVSA-N 1 0 276.359 2.186 10 0 CEAERO C[NH2+][C@@H](Cc1ncnn1CC(C)C)Cc1ccc(F)cc1 ZINC000088610549 179638041 /nfs/dbraw/zinc/63/80/41/179638041.db2.gz AFFJSDUYBIPCHT-OAHLLOKOSA-N 1 0 290.386 2.446 10 0 CEAERO C[NH2+][C@@H](Cc1ncnn1C(C)C)Cc1ccccc1 ZINC000088610345 179638091 /nfs/dbraw/zinc/63/80/91/179638091.db2.gz QNCRERBUDSDRMU-CQSZACIVSA-N 1 0 258.369 2.232 10 0 CEAERO CCn1ncnc1C[C@@H](Cc1cc(C)cc(C)c1)[NH2+]C ZINC000088611777 179638668 /nfs/dbraw/zinc/63/86/68/179638668.db2.gz PKBFZCFBAGMRIY-OAHLLOKOSA-N 1 0 272.396 2.288 10 0 CEAERO CCC[NH2+][C@H](CCCOC)Cc1ncnn1C(C)C ZINC000088612684 179639316 /nfs/dbraw/zinc/63/93/16/179639316.db2.gz XDYWJOKMWCHDJB-CYBMUJFWSA-N 1 0 268.405 2.196 10 0 CEAERO CCC[NH2+][C@@H](Cc1nc(C)cs1)Cc1ncnn1CC ZINC000088611898 179639437 /nfs/dbraw/zinc/63/94/37/179639437.db2.gz AOZLYPNCAPAQEW-GFCCVEGCSA-N 1 0 293.440 2.216 10 0 CEAERO CCC[NH2+][C@H](Cc1ncnn1C(C)C)[C@H]1CCCOC1 ZINC000088613186 179639841 /nfs/dbraw/zinc/63/98/41/179639841.db2.gz NVPIPYBPFBFKDC-UONOGXRCSA-N 1 0 280.416 2.196 10 0 CEAERO CCCn1ncnc1C[C@H](C[NH3+])Cc1ccccc1OC ZINC000088620122 179640370 /nfs/dbraw/zinc/64/03/70/179640370.db2.gz JAZGXQVIXKXUML-CYBMUJFWSA-N 1 0 288.395 2.057 10 0 CEAERO CCn1ncnc1C[C@@H](C[NH3+])Cc1cccc(Cl)c1 ZINC000088620031 179640774 /nfs/dbraw/zinc/64/07/74/179640774.db2.gz GTYXBCVNPPNBAE-LBPRGKRZSA-N 1 0 278.787 2.312 10 0 CEAERO CCC[C@H]1CN(Cc2ncnn2CC)[C@@](C)(C2CC2)C[NH2+]1 ZINC000088625176 179642000 /nfs/dbraw/zinc/64/20/00/179642000.db2.gz AIATULJSXBNTMA-GOEBONIOSA-N 1 0 291.443 2.041 10 0 CEAERO C[NH2+][C@@H](CCOC)Cc1nc2ccccc2s1 ZINC000088518894 179617265 /nfs/dbraw/zinc/61/72/65/179617265.db2.gz DLYURJZGGAUXFV-JTQLQIEISA-N 1 0 250.367 2.463 10 0 CEAERO C[NH2+][C@@H](Cc1ccc2ccccc2n1)[C@@H]1CCOC1 ZINC000088519244 179617681 /nfs/dbraw/zinc/61/76/81/179617681.db2.gz JLWHEDWOOUXAMF-CJNGLKHVSA-N 1 0 256.349 2.402 10 0 CEAERO C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000104220660 185934264 /nfs/dbraw/zinc/93/42/64/185934264.db2.gz SWQNXNDMMAEZAM-ATZCPNFKSA-N 1 0 278.318 2.031 10 0 CEAERO CCc1nc(CC)n(-c2c(C[NH3+])cnc3ccccc32)n1 ZINC000088739475 179661487 /nfs/dbraw/zinc/66/14/87/179661487.db2.gz KKBCYWQVRHMNIK-UHFFFAOYSA-N 1 0 281.363 2.399 10 0 CEAERO CCOC(=O)c1ccnc(SCC[NH+](CC)CC)c1N ZINC000088805784 179675805 /nfs/dbraw/zinc/67/58/05/179675805.db2.gz RIWZIJCNXMEZMW-UHFFFAOYSA-N 1 0 297.424 2.274 10 0 CEAERO CCc1nc(CC)n([C@H](c2ccccc2)[C@H](C)[NH3+])n1 ZINC000088739935 179662215 /nfs/dbraw/zinc/66/22/15/179662215.db2.gz SBNPQBXDFQLHCC-NHYWBVRUSA-N 1 0 258.369 2.340 10 0 CEAERO O=C1C[C@@H]([NH2+][C@H]2CC=CCC2)C(=O)N1c1ccccc1 ZINC000088747992 179664274 /nfs/dbraw/zinc/66/42/74/179664274.db2.gz OUGKTQSEDUNGMU-GXTWGEPZSA-N 1 0 270.332 2.017 10 0 CEAERO CC(C)(C)NS(=O)(=O)Cc1cccc(C[NH2+]C2CC2)c1 ZINC000088976397 179688186 /nfs/dbraw/zinc/68/81/86/179688186.db2.gz FKJIFUMUICLYCL-UHFFFAOYSA-N 1 0 296.436 2.157 10 0 CEAERO O=C(CCC(F)(F)F)N1CCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000088833014 179678994 /nfs/dbraw/zinc/67/89/94/179678994.db2.gz WNUITECCAMFLKI-QWRGUYRKSA-N 1 0 278.318 2.320 10 0 CEAERO CC(C)[C@H]1CCCN1c1nc2ccccn2c1CC[NH3+] ZINC000088851611 179682851 /nfs/dbraw/zinc/68/28/51/179682851.db2.gz BBDPLSVBJBOUST-CYBMUJFWSA-N 1 0 272.396 2.460 10 0 CEAERO COCC[C@@H]([NH3+])c1nc2cnccc2n1C(C)(C)C ZINC000088866536 179684973 /nfs/dbraw/zinc/68/49/73/179684973.db2.gz KBHZGYNGPXGDRN-SNVBAGLBSA-N 1 0 262.357 2.223 10 0 CEAERO CC/C(=C\CN1CC[C@H]([NH+]2CCCCC2)C1)C(=O)OC ZINC000089076188 179697278 /nfs/dbraw/zinc/69/72/78/179697278.db2.gz CRTWSAMAGWUECG-LULHVWEPSA-N 1 0 280.412 2.056 10 0 CEAERO CC1CCC(N(C)C(=O)CN(C)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089111807 179705911 /nfs/dbraw/zinc/70/59/11/179705911.db2.gz OUPCHQFDFRZYJF-GYTBAZASSA-N 1 0 295.471 2.083 10 0 CEAERO Cc1ccc(C(=O)N(C)[C@H]2CCC[C@H]2C[NH3+])cc1F ZINC000089111025 179706334 /nfs/dbraw/zinc/70/63/34/179706334.db2.gz XUIFVTBTTWKLJU-JSGCOSHPSA-N 1 0 264.344 2.334 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1cccc2cc[nH]c21 ZINC000089091038 539688759 /nfs/dbraw/zinc/68/87/59/539688759.db2.gz GZJWFPANSQJRCT-AAEUAGOBSA-N 1 0 257.337 2.025 10 0 CEAERO CCN(Cc1ncc(Cl)n1C)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089115627 179709491 /nfs/dbraw/zinc/70/94/91/179709491.db2.gz YVKPKUIAFSCZKM-GHMZBOCLSA-N 1 0 270.808 2.023 10 0 CEAERO CC(=O)Nc1ccc(N[C@@H]2CCC[C@H]2C[NH3+])cc1C ZINC000089148216 179723687 /nfs/dbraw/zinc/72/36/87/179723687.db2.gz KEDKZBKYSVGYDL-SWLSCSKDSA-N 1 0 261.369 2.493 10 0 CEAERO CCOC(=O)c1ccccc1N[C@H]1CCC[C@H]1C[NH3+] ZINC000089148089 179723988 /nfs/dbraw/zinc/72/39/88/179723988.db2.gz WISIHJLGLVQQGK-AAEUAGOBSA-N 1 0 262.353 2.403 10 0 CEAERO COC(=O)c1cc(F)ccc1N[C@H]1CCC[C@@H]1C[NH3+] ZINC000089149425 179725395 /nfs/dbraw/zinc/72/53/95/179725395.db2.gz PSSYWPMEXGFJBQ-SKDRFNHKSA-N 1 0 266.316 2.152 10 0 CEAERO CCCN(Cc1c(Cl)c(C)nn1C)C1CC[NH2+]CC1 ZINC000089235939 179759749 /nfs/dbraw/zinc/75/97/49/179759749.db2.gz OKWZWPQSMSBIER-UHFFFAOYSA-N 1 0 284.835 2.346 10 0 CEAERO C[NH2+][C@@H](Cc1cc(C)nn1C)Cc1ccc(F)cc1 ZINC000089193139 179749823 /nfs/dbraw/zinc/74/98/23/179749823.db2.gz GOGLAINSLXBPKA-CQSZACIVSA-N 1 0 261.344 2.241 10 0 CEAERO CC[NH2+][C@H](CSC(C)C)Cc1cc(C)nn1C ZINC000089198730 179751492 /nfs/dbraw/zinc/75/14/92/179751492.db2.gz FVLNGNFNMOFQRZ-LBPRGKRZSA-N 1 0 255.431 2.391 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1ccc(F)cc1F ZINC000089449630 539715919 /nfs/dbraw/zinc/71/59/19/539715919.db2.gz YPMUJRWHPDVBQH-WCBMZHEXSA-N 1 0 254.280 2.278 10 0 CEAERO CCC[C@@H]1C[NH2+][C@H](C(C)C)CN1Cc1cc(C)nn1C ZINC000089208593 179754580 /nfs/dbraw/zinc/75/45/80/179754580.db2.gz DSVSBBDFWCUHLS-ZBFHGGJFSA-N 1 0 278.444 2.327 10 0 CEAERO C[C@H](COCc1ccccc1)N[C@H](C)[C@H]1CCC[NH2+]1 ZINC000400321124 233176433 /nfs/dbraw/zinc/17/64/33/233176433.db2.gz BVJDZWLWTFYRHZ-IIAWOOMASA-N 1 0 262.397 2.322 10 0 CEAERO CC[NH2+][C@@H](COCC)Cc1c(Cl)c(CC)nn1C ZINC000089329591 179770212 /nfs/dbraw/zinc/77/02/12/179770212.db2.gz CXKKWJMLGRZCET-SNVBAGLBSA-N 1 0 273.808 2.193 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1C(=O)N1CCOc2ccccc2C1 ZINC000089394829 179779390 /nfs/dbraw/zinc/77/93/90/179779390.db2.gz IPFFWLNKTICIGN-ZFWWWQNUSA-N 1 0 288.391 2.173 10 0 CEAERO CN(Cc1ccc(O)cc1)C(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089392699 179779576 /nfs/dbraw/zinc/77/95/76/179779576.db2.gz SYVGMGZYPAZTFB-DZGCQCFKSA-N 1 0 276.380 2.116 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1C(=O)N(CC(F)(F)F)C1CC1 ZINC000089396830 179779933 /nfs/dbraw/zinc/77/99/33/179779933.db2.gz URENAANFKAWNBD-GXSJLCMTSA-N 1 0 278.318 2.305 10 0 CEAERO CC[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C[NH3+])c1nccs1 ZINC000089400635 179781425 /nfs/dbraw/zinc/78/14/25/179781425.db2.gz IAOVEMCOIJXUKT-UTUOFQBUSA-N 1 0 281.425 2.476 10 0 CEAERO CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089463039 179796618 /nfs/dbraw/zinc/79/66/18/179796618.db2.gz QEJILQUSNFAIJU-MGPQQGTHSA-N 1 0 252.402 2.400 10 0 CEAERO CN(CCCc1ccccc1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089451096 179792208 /nfs/dbraw/zinc/79/22/08/179792208.db2.gz QKRSUJRWQRZATJ-JKSUJKDBSA-N 1 0 274.408 2.453 10 0 CEAERO COc1ccc(CN(C)C(=O)[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089455125 179793933 /nfs/dbraw/zinc/79/39/33/179793933.db2.gz RRSHUTGXIWADCK-ZFWWWQNUSA-N 1 0 276.380 2.029 10 0 CEAERO CC(=O)c1cccc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089460193 179795877 /nfs/dbraw/zinc/79/58/77/179795877.db2.gz QJLCGHQTZIOLIT-OCCSQVGLSA-N 1 0 260.337 2.203 10 0 CEAERO CN(C(=O)[C@@H]1CCC[C@H]1C[NH3+])c1ccccc1F ZINC000089461270 179795885 /nfs/dbraw/zinc/79/58/85/179795885.db2.gz WVSATHAGKHFZAR-WDEREUQCSA-N 1 0 250.317 2.164 10 0 CEAERO Cc1ccccc1S(=O)(=O)NC[C@H]1CCCC[C@H]1C[NH3+] ZINC000089532135 179811550 /nfs/dbraw/zinc/81/15/50/179811550.db2.gz OPJFGUVVAXPEFN-UONOGXRCSA-N 1 0 296.436 2.038 10 0 CEAERO CC(C)Cn1ncnc1COC[C@H]1CCCC[C@H]1C[NH3+] ZINC000089535986 179812284 /nfs/dbraw/zinc/81/22/84/179812284.db2.gz HSMJSIBULXIKNA-UONOGXRCSA-N 1 0 280.416 2.216 10 0 CEAERO Cc1ccoc1C(=O)N[C@@]1(C[NH3+])CCC[C@H](C)C1 ZINC000104324196 185968806 /nfs/dbraw/zinc/96/88/06/185968806.db2.gz YUTJHNZAZXAZLO-HZMBPMFUSA-N 1 0 250.342 2.225 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1COc1ncnc2sccc21 ZINC000089538878 179813899 /nfs/dbraw/zinc/81/38/99/179813899.db2.gz CISHQQGWDTZIRC-NXEZZACHSA-N 1 0 263.366 2.445 10 0 CEAERO CC(C)Oc1cncc(OC[C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000089538921 179814058 /nfs/dbraw/zinc/81/40/58/179814058.db2.gz COVRPLJVCSXQJF-NEPJUHHUSA-N 1 0 265.357 2.018 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1ncccc1Br ZINC000089482514 179800899 /nfs/dbraw/zinc/80/08/99/179800899.db2.gz HJDKNDJFKPOHTR-RKDXNWHRSA-N 1 0 298.184 2.158 10 0 CEAERO OC[C@H]1CCCC[C@@H]1C[NH2+]CCCOCC(F)(F)F ZINC000089526784 179809691 /nfs/dbraw/zinc/80/96/91/179809691.db2.gz RJUYLMHLGRUOJY-VXGBXAGGSA-N 1 0 283.334 2.344 10 0 CEAERO COc1ccc(C(=O)NC[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000089531913 179811096 /nfs/dbraw/zinc/81/10/96/179811096.db2.gz CRAZTHXEYXWCCP-UONOGXRCSA-N 1 0 276.380 2.190 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1CNC(=O)Cc1cccc(F)c1 ZINC000089531790 179811119 /nfs/dbraw/zinc/81/11/19/179811119.db2.gz SUHCNKZBXCQDEM-KBPBESRZSA-N 1 0 278.371 2.250 10 0 CEAERO CC(C)OC(=O)c1ccc(NC(=O)C[C@@H]2CC[NH2+]C2)cc1 ZINC000089741973 179857589 /nfs/dbraw/zinc/85/75/89/179857589.db2.gz ZDTVMKFFACTQDD-LBPRGKRZSA-N 1 0 290.363 2.190 10 0 CEAERO CC(C)c1ccc([C@H](C)[NH2+][C@H]2CCC(=O)NC2=O)cc1 ZINC000089754829 179861299 /nfs/dbraw/zinc/86/12/99/179861299.db2.gz QTYPMMCPANUCJO-FZMZJTMJSA-N 1 0 274.364 2.266 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](SCCS(C)(=O)=O)c1ccsc1 ZINC000104339423 185975986 /nfs/dbraw/zinc/97/59/86/185975986.db2.gz MJKWUWRQHIVFPM-MNOVXSKESA-N 1 0 293.479 2.304 10 0 CEAERO Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@](C)(O)CC(C)C ZINC000090272120 179945047 /nfs/dbraw/zinc/94/50/47/179945047.db2.gz KJKOYNIZOONEIW-WBVHZDCISA-N 1 0 295.423 2.121 10 0 CEAERO CCCN(c1ccc(C(F)(F)F)cn1)C1C[NH2+]C1 ZINC000090294172 179952305 /nfs/dbraw/zinc/95/23/05/179952305.db2.gz QFUQAWQXOCUZRH-UHFFFAOYSA-N 1 0 259.275 2.289 10 0 CEAERO C[C@@H](c1cccc(OC(F)F)c1)N(C)C1C[NH2+]C1 ZINC000090289451 179949828 /nfs/dbraw/zinc/94/98/28/179949828.db2.gz CCQNYTGLSVMOKS-VIFPVBQESA-N 1 0 256.296 2.253 10 0 CEAERO CCCN([C@@H](C)c1ccc(OC)c(OC)c1)C1C[NH2+]C1 ZINC000090292657 179951570 /nfs/dbraw/zinc/95/15/70/179951570.db2.gz MXRILWBUDNKIJY-LBPRGKRZSA-N 1 0 278.396 2.449 10 0 CEAERO CCOC(=O)N1CCC(n2cncc2C[NH2+]C(C)C)CC1 ZINC000090240651 179938130 /nfs/dbraw/zinc/93/81/30/179938130.db2.gz CCCJQPQXFNICNP-UHFFFAOYSA-N 1 0 294.399 2.175 10 0 CEAERO Cn1ncnc1C[C@@H]([NH3+])CSc1cccc(Cl)c1 ZINC000090238798 179938136 /nfs/dbraw/zinc/93/81/36/179938136.db2.gz AAMLNOPUAOCUAV-SNVBAGLBSA-N 1 0 282.800 2.131 10 0 CEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C(=O)c1cc(Cl)cn1CC ZINC000090330136 179961563 /nfs/dbraw/zinc/96/15/63/179961563.db2.gz ZOENLWWOJRWXMU-KGYLQXTDSA-N 1 0 295.814 2.231 10 0 CEAERO C[C@@H]([NH3+])CCSCC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000090346741 179970939 /nfs/dbraw/zinc/97/09/39/179970939.db2.gz HNJFECWVSRCYGH-GHMZBOCLSA-N 1 0 284.400 2.473 10 0 CEAERO C[NH2+][C@@H]1CCC2(C[C@@H]1OCCC(C)(C)C)OCCO2 ZINC000090348925 179971595 /nfs/dbraw/zinc/97/15/95/179971595.db2.gz LSSDHBCUGHZRBP-OLZOCXBDSA-N 1 0 271.401 2.323 10 0 CEAERO C[C@@H](CC[NH3+])SC[C@H]1COc2ccccc2O1 ZINC000090354502 179973470 /nfs/dbraw/zinc/97/34/70/179973470.db2.gz HQMYGBBBZMAKMO-WDEREUQCSA-N 1 0 253.367 2.297 10 0 CEAERO C[NH2+][C@@H]1COC[C@H]1c1nc(-c2ccc(F)c(Cl)c2)no1 ZINC000090424037 179984948 /nfs/dbraw/zinc/98/49/48/179984948.db2.gz BHOAYLDBAPEQGL-LDYMZIIASA-N 1 0 297.717 2.231 10 0 CEAERO CC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1c(CC)cccc1CC ZINC000090487229 179991348 /nfs/dbraw/zinc/99/13/48/179991348.db2.gz PDUTUSDDYZZTJH-LSDHHAIUSA-N 1 0 290.407 2.374 10 0 CEAERO CC[NH2+][C@@H]1COC[C@@H]1C(=O)N(C)[C@@H](C)c1ccc(C)cc1 ZINC000090490110 179992171 /nfs/dbraw/zinc/99/21/71/179992171.db2.gz SIRUMUDVGVWXKK-CWRNSKLLSA-N 1 0 290.407 2.139 10 0 CEAERO CC[NH2+][C@@H]1COC[C@H]1C(=O)N(C)[C@@H](C)c1ccc(C)s1 ZINC000090490468 179992392 /nfs/dbraw/zinc/99/23/92/179992392.db2.gz MMNQSUWHKPISNU-YNEHKIRRSA-N 1 0 296.436 2.200 10 0 CEAERO CC[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc2sccc2c1 ZINC000090489233 179992443 /nfs/dbraw/zinc/99/24/43/179992443.db2.gz NGEYONOPGMHAOX-OLZOCXBDSA-N 1 0 290.388 2.464 10 0 CEAERO CC[NH2+][C@H]1COC[C@H]1CN(C)c1ccc(CC)cc1 ZINC000090494634 179992897 /nfs/dbraw/zinc/99/28/97/179992897.db2.gz QYWSBQKJWWMADX-ZBFHGGJFSA-N 1 0 262.397 2.310 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1ccc(Cl)cc1 ZINC000623766446 350107676 /nfs/dbraw/zinc/10/76/76/350107676.db2.gz GRPROBCUIGBMTR-BIMULSAOSA-N 1 0 255.745 2.140 10 0 CEAERO O[C@H]1COCC[C@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000623767647 350108042 /nfs/dbraw/zinc/10/80/42/350108042.db2.gz ZNDHQBSLSVPZRR-HCWSGVFWSA-N 1 0 281.318 2.095 10 0 CEAERO Cn1cc(Sc2ccc(CC[NH3+])cc2F)cn1 ZINC000104432011 186000080 /nfs/dbraw/zinc/00/00/80/186000080.db2.gz SAWSSVLMNGFCRW-UHFFFAOYSA-N 1 0 251.330 2.212 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1c1nc(-c2cccs2)n[nH]1 ZINC000090534789 179999378 /nfs/dbraw/zinc/99/93/78/179999378.db2.gz DJBQNZXENUAMSG-ZJUUUORDSA-N 1 0 278.381 2.015 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccc(SC)cc1 ZINC000090538588 180000133 /nfs/dbraw/zinc/00/01/33/180000133.db2.gz ZFRPUCIWUAXWQU-KBPBESRZSA-N 1 0 294.420 2.362 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000090541563 180000248 /nfs/dbraw/zinc/00/02/48/180000248.db2.gz INLJTFGYAFUQEM-NUEKZKHPSA-N 1 0 290.407 2.187 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)Nc1cccc(C)c1C ZINC000090539170 180000495 /nfs/dbraw/zinc/00/04/95/180000495.db2.gz XLUARFLUVHJHRJ-HIFRSBDPSA-N 1 0 276.380 2.257 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000090541565 180000496 /nfs/dbraw/zinc/00/04/96/180000496.db2.gz INLJTFGYAFUQEM-IMJJTQAJSA-N 1 0 290.407 2.187 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccc(C)cc1C ZINC000090538845 180000561 /nfs/dbraw/zinc/00/05/61/180000561.db2.gz UQZGVQISUXNWTR-UKRRQHHQSA-N 1 0 276.380 2.257 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)Nc1cccc(CC)c1 ZINC000090539132 180000590 /nfs/dbraw/zinc/00/05/90/180000590.db2.gz QHJWMZCGORQABE-CABCVRRESA-N 1 0 276.380 2.202 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccc2[nH]ccc2c1 ZINC000090543280 180000738 /nfs/dbraw/zinc/00/07/38/180000738.db2.gz BLOJPHHLWCGOAX-ZFWWWQNUSA-N 1 0 287.363 2.121 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)N[C@@H](C)c1cc(C)oc1C ZINC000090544229 180001190 /nfs/dbraw/zinc/00/11/90/180001190.db2.gz SCPCSMOJONKCOZ-NILFDRSVSA-N 1 0 294.395 2.088 10 0 CEAERO CCOC(C[NH2+]Cc1ccc(COC)cc1)OCC ZINC000090714184 180028515 /nfs/dbraw/zinc/02/85/15/180028515.db2.gz GYQSYFKOCGJPCF-UHFFFAOYSA-N 1 0 267.369 2.322 10 0 CEAERO COc1ccc(CN(CC2CC2)[C@H]2CC[NH2+]C2)cc1 ZINC000090547626 180001712 /nfs/dbraw/zinc/00/17/12/180001712.db2.gz VMQIIBXKPCCSHU-HNNXBMFYSA-N 1 0 260.381 2.269 10 0 CEAERO CCC(CC)[C@@H](C)[NH2+]CC(=O)NCC(F)(F)F ZINC000104437380 186001422 /nfs/dbraw/zinc/00/14/22/186001422.db2.gz SGICZDHDYUFYAB-MRVPVSSYSA-N 1 0 254.296 2.079 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1CN(C)Cc1ccc(C)o1 ZINC000090566137 180005911 /nfs/dbraw/zinc/00/59/11/180005911.db2.gz XVXQRAHXYICIPR-HIFRSBDPSA-N 1 0 266.385 2.034 10 0 CEAERO COCCCSCCOc1ccc(C(N)=[NH2+])cc1 ZINC000104437170 186001672 /nfs/dbraw/zinc/00/16/72/186001672.db2.gz RVMZDCSWLGYZME-UHFFFAOYSA-N 1 0 268.382 2.119 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1CN(C)c1cccc(C)c1 ZINC000090566720 180006765 /nfs/dbraw/zinc/00/67/65/180006765.db2.gz SLNIYKMBEWUDIR-GDBMZVCRSA-N 1 0 262.397 2.446 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1CN1Cc2ccccc2C1 ZINC000090566773 180006808 /nfs/dbraw/zinc/00/68/08/180006808.db2.gz PVGPODPMMZZWGO-CVEARBPZSA-N 1 0 260.381 2.017 10 0 CEAERO C[C@@]1(c2nc(-c3ccc(F)cc3Cl)no2)COC[C@H]1[NH3+] ZINC000090573781 180007452 /nfs/dbraw/zinc/00/74/52/180007452.db2.gz CJZBOBNWVROGDJ-ZWNOBZJWSA-N 1 0 297.717 2.144 10 0 CEAERO CC(C)n1c2cccc(F)c2nc1[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090571793 180007675 /nfs/dbraw/zinc/00/76/75/180007675.db2.gz ZYXAKPIRSPSOFH-WFASDCNBSA-N 1 0 277.343 2.372 10 0 CEAERO CC(C)(C)c1ccc(NC(=O)[C@]2(C)COC[C@@H]2[NH3+])cc1 ZINC000090580328 180008665 /nfs/dbraw/zinc/00/86/65/180008665.db2.gz KYLHPDZVCJSDRX-XJKSGUPXSA-N 1 0 276.380 2.286 10 0 CEAERO C[C@]1(C(=O)Nc2cccc3ccccc32)COC[C@H]1[NH3+] ZINC000090580173 180008786 /nfs/dbraw/zinc/00/87/86/180008786.db2.gz ZVTDARXZFUDHBB-ZBFHGGJFSA-N 1 0 270.332 2.142 10 0 CEAERO CCSc1ccccc1NC(=O)[C@@]1(C)COC[C@H]1[NH3+] ZINC000090590026 180010036 /nfs/dbraw/zinc/01/00/36/180010036.db2.gz BTEYXAPPDBFCON-OCCSQVGLSA-N 1 0 280.393 2.101 10 0 CEAERO CCCOc1cc(C)ccc1NC(=O)[C@]1(C)COC[C@@H]1[NH3+] ZINC000090589971 180010514 /nfs/dbraw/zinc/01/05/14/180010514.db2.gz RUXXEIKUWRVWDC-GOEBONIOSA-N 1 0 292.379 2.086 10 0 CEAERO O=C(CCSCC1C[NH2+]C1)Nc1cccc(F)c1 ZINC000090712131 180028875 /nfs/dbraw/zinc/02/88/75/180028875.db2.gz FCWMJJDWZLCFDK-UHFFFAOYSA-N 1 0 268.357 2.107 10 0 CEAERO COc1c(C)cnc(CSCC2C[NH2+]C2)c1C ZINC000090712560 180028922 /nfs/dbraw/zinc/02/89/22/180028922.db2.gz PPZNXUNUOWPEPU-UHFFFAOYSA-N 1 0 252.383 2.160 10 0 CEAERO COC(C[C@@H](C[NH3+])N(Cc1cccs1)C1CC1)OC ZINC000090625184 180015576 /nfs/dbraw/zinc/01/55/76/180015576.db2.gz NARUFHUQLXKFLT-LBPRGKRZSA-N 1 0 284.425 2.049 10 0 CEAERO COC(C[C@@H](CN)[N@@H+]1CCC[C@@H](C(C)(C)C)CC1)OC ZINC000090625406 180015795 /nfs/dbraw/zinc/01/57/95/180015795.db2.gz IFQGYPNAOFJUHV-KGLIPLIRSA-N 1 0 286.460 2.471 10 0 CEAERO CCc1ccc(N(C)[C@H](C[NH3+])CC(OC)OC)cc1 ZINC000090625268 180015946 /nfs/dbraw/zinc/01/59/46/180015946.db2.gz RUCJEZNRUIFRSP-AWEZNQCLSA-N 1 0 266.385 2.022 10 0 CEAERO COC(C[C@H](C[NH3+])N(C)c1ccc(C)cc1C)OC ZINC000090625273 180015970 /nfs/dbraw/zinc/01/59/70/180015970.db2.gz BBONPZARQXBZGZ-CYBMUJFWSA-N 1 0 266.385 2.076 10 0 CEAERO [NH3+]CCc1nc(-c2nc3cccnc3n2C2CC2)cs1 ZINC000090934817 180067482 /nfs/dbraw/zinc/06/74/82/180067482.db2.gz PSTLLWIOCZOGOX-UHFFFAOYSA-N 1 0 285.376 2.391 10 0 CEAERO C[C@@H]([NH3+])c1nc(-c2nc3cnccc3n2C)cs1 ZINC000090934795 180067537 /nfs/dbraw/zinc/06/75/37/180067537.db2.gz XWKCCANMVBGSAX-SSDOTTSWSA-N 1 0 259.338 2.112 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1CNc1ncncc1Br ZINC000090783225 180039398 /nfs/dbraw/zinc/03/93/98/180039398.db2.gz BVTMGLRZDRVTKW-UWVGGRQHSA-N 1 0 299.216 2.416 10 0 CEAERO COc1cc(N(CCC[NH3+])c2cccc(C)c2)ncn1 ZINC000090783527 180039521 /nfs/dbraw/zinc/03/95/21/180039521.db2.gz NMNIDUPCBPIQAB-UHFFFAOYSA-N 1 0 272.352 2.281 10 0 CEAERO [NH3+]C[C@@H](Nc1ncncc1Br)c1ccccc1 ZINC000090783158 180039578 /nfs/dbraw/zinc/03/95/78/180039578.db2.gz NOYVOGABRLCSDB-LLVKDONJSA-N 1 0 293.168 2.351 10 0 CEAERO CCCOc1cc(OC[C@@H]2CCCC[C@@H]2C[NH3+])ncn1 ZINC000090785422 180039947 /nfs/dbraw/zinc/03/99/47/180039947.db2.gz YUUNUFHBXLXCLV-OLZOCXBDSA-N 1 0 279.384 2.409 10 0 CEAERO CCCOc1cc(O[C@@H]2CCCC[C@@H]2C[NH3+])ncn1 ZINC000090785418 180040232 /nfs/dbraw/zinc/04/02/32/180040232.db2.gz IPTKSSLHUVAMNZ-VXGBXAGGSA-N 1 0 265.357 2.162 10 0 CEAERO CC(C)Oc1cc(OC[C@H]2CCC[C@H]2C[NH3+])ncn1 ZINC000090786360 180040861 /nfs/dbraw/zinc/04/08/61/180040861.db2.gz PRRPZBXMQPICOJ-NWDGAFQWSA-N 1 0 265.357 2.018 10 0 CEAERO CCOc1cc(NC[C@@H]([NH3+])c2ccccc2)nc(C)n1 ZINC000090787849 180041160 /nfs/dbraw/zinc/04/11/60/180041160.db2.gz OAUCVUHYYASTPB-CYBMUJFWSA-N 1 0 272.352 2.296 10 0 CEAERO CCN(c1ncnc(OC)c1C)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000090788880 180041324 /nfs/dbraw/zinc/04/13/24/180041324.db2.gz LHJSXCUBQMQVTK-OLZOCXBDSA-N 1 0 278.400 2.137 10 0 CEAERO CCOc1cc(N[C@@H]2c3ccccc3C[C@@H]2[NH3+])nc(C)n1 ZINC000090788392 180041524 /nfs/dbraw/zinc/04/15/24/180041524.db2.gz ZGYCXCQVAXXMPM-XJKSGUPXSA-N 1 0 284.363 2.220 10 0 CEAERO CCOc1ncnc(Oc2ccc(CC[NH3+])cc2)c1C ZINC000090789848 180041941 /nfs/dbraw/zinc/04/19/41/180041941.db2.gz UGZDDKOWCLBFQX-UHFFFAOYSA-N 1 0 273.336 2.477 10 0 CEAERO COc1ccc(C)cc1[C@H](C)[NH2+]C[C@@H](C)[S@](C)=O ZINC000090843089 180044606 /nfs/dbraw/zinc/04/46/06/180044606.db2.gz QHXRZMYHSQIANI-FTLABTOESA-N 1 0 269.410 2.421 10 0 CEAERO CC[NH2+]Cc1cccc(S[C@H](CC)C(N)=O)c1 ZINC000090871042 180049044 /nfs/dbraw/zinc/04/90/44/180049044.db2.gz QJIHGQNKMVPISK-GFCCVEGCSA-N 1 0 252.383 2.152 10 0 CEAERO CC(C)NC(=O)[C@@H](C)Sc1cccc(C[NH3+])c1 ZINC000090870326 180049244 /nfs/dbraw/zinc/04/92/44/180049244.db2.gz IHOBYNKOQIPTSX-SNVBAGLBSA-N 1 0 252.383 2.151 10 0 CEAERO CCC[NH2+]Cc1cccc(SC[C@@H](C)C(N)=O)c1 ZINC000090871710 180049676 /nfs/dbraw/zinc/04/96/76/180049676.db2.gz VVHLYLUUEPNPOW-LLVKDONJSA-N 1 0 266.410 2.400 10 0 CEAERO [NH3+]CCN(Cc1ccccc1)C[C@@H]1Cc2ccccc2O1 ZINC000090874003 180050080 /nfs/dbraw/zinc/05/00/80/180050080.db2.gz NLFLIVCGZLLJMM-KRWDZBQOSA-N 1 0 282.387 2.451 10 0 CEAERO COCC[NH2+]Cc1cccc(SCCOC)c1 ZINC000090873102 180050339 /nfs/dbraw/zinc/05/03/39/180050339.db2.gz REHUUIJDVJQZNL-UHFFFAOYSA-N 1 0 255.383 2.161 10 0 CEAERO CC[N@H+](C[C@@H](C)C(N)=S)C[C@@H]1Cc2ccccc2O1 ZINC000090874930 180051203 /nfs/dbraw/zinc/05/12/03/180051203.db2.gz RZIKYKYGTRPKIQ-YPMHNXCESA-N 1 0 278.421 2.234 10 0 CEAERO CC1(C)CN(C[C@@H]2Cc3ccccc3O2)[C@H](C2CC2)C[NH2+]1 ZINC000090878302 180051887 /nfs/dbraw/zinc/05/18/87/180051887.db2.gz GWYICHBZSFPRGS-HOTGVXAUSA-N 1 0 286.419 2.453 10 0 CEAERO CC[C@@H]1CN(C[C@@H]2Cc3ccccc3O2)C(C)(C)C[NH2+]1 ZINC000090878314 180052059 /nfs/dbraw/zinc/05/20/59/180052059.db2.gz IIMLLQQXFZBLJO-CABCVRRESA-N 1 0 274.408 2.453 10 0 CEAERO CCC(CC)[N@H+](CCO)C[C@@H]1Cc2ccccc2O1 ZINC000090876820 180052329 /nfs/dbraw/zinc/05/23/29/180052329.db2.gz RHPTXBSZOIBGRC-HNNXBMFYSA-N 1 0 263.381 2.473 10 0 CEAERO C[C@@H](Cn1ccnc1)[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892417 180054273 /nfs/dbraw/zinc/05/42/73/180054273.db2.gz UOUJEXLGVZGXBW-FZMZJTMJSA-N 1 0 275.327 2.004 10 0 CEAERO CC[NH2+]CCN(CC)C[C@H]1Cc2cc(F)ccc2O1 ZINC000090893486 180054691 /nfs/dbraw/zinc/05/46/91/180054691.db2.gz IYRHZRFRUHRDNY-CQSZACIVSA-N 1 0 266.360 2.061 10 0 CEAERO CCN(CC[NH2+]C(C)C)C[C@H]1Cc2cc(F)ccc2O1 ZINC000090893488 180055343 /nfs/dbraw/zinc/05/53/43/180055343.db2.gz GNQAJJMTMQLFJH-OAHLLOKOSA-N 1 0 280.387 2.449 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](C[NH2+]Cc1ccccn1)O2 ZINC000090897227 180056827 /nfs/dbraw/zinc/05/68/27/180056827.db2.gz HZQRCPFSXUFRKU-HNNXBMFYSA-N 1 0 254.333 2.483 10 0 CEAERO Cc1ccc2c(c1)C[C@H](COC[C@H]1CCCC[NH2+]1)O2 ZINC000090899121 180058374 /nfs/dbraw/zinc/05/83/74/180058374.db2.gz NGMVIRZEGZCANN-HUUCEWRRSA-N 1 0 261.365 2.457 10 0 CEAERO CC1(C)C[NH2+]CCN1C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090900285 180058594 /nfs/dbraw/zinc/05/85/94/180058594.db2.gz VAANPAVZSCYEAO-ZDUSSCGKSA-N 1 0 280.799 2.327 10 0 CEAERO C[C@H](C[NH2+]C[C@@H]1Cc2cc(Cl)ccc2O1)N(C)C ZINC000090904430 180059537 /nfs/dbraw/zinc/05/95/37/180059537.db2.gz DXYUCPMPOYSIRW-MFKMUULPSA-N 1 0 268.788 2.183 10 0 CEAERO Nc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c2ncccc12 ZINC000090905367 180059556 /nfs/dbraw/zinc/05/95/56/180059556.db2.gz CTADTGQVTHMGTD-BETUJISGSA-N 1 0 269.348 2.180 10 0 CEAERO CC[C@](C)(O)C[NH2+]C[C@H]1Cc2cc(Cl)ccc2O1 ZINC000090905145 180059624 /nfs/dbraw/zinc/05/96/24/180059624.db2.gz AXWBFPUDYAZBNV-OCCSQVGLSA-N 1 0 269.772 2.394 10 0 CEAERO Cc1ccc2c(c1)C[C@H](CN1CC[NH2+]C[C@@]1(C)C1CC1)O2 ZINC000090902461 180059683 /nfs/dbraw/zinc/05/96/83/180059683.db2.gz CEXXYQHOIIMNAE-AEFFLSMTSA-N 1 0 286.419 2.372 10 0 CEAERO Clc1ccc2c(c1)C[C@H](C[NH2+][C@@H]1CCN(C3CC3)C1)O2 ZINC000090904353 180059727 /nfs/dbraw/zinc/05/97/27/180059727.db2.gz XYRWDBOBZNZPPM-UKRRQHHQSA-N 1 0 292.810 2.470 10 0 CEAERO CC[C@](C)(O)C[NH2+]C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090905143 180060441 /nfs/dbraw/zinc/06/04/41/180060441.db2.gz AXWBFPUDYAZBNV-JSGCOSHPSA-N 1 0 269.772 2.394 10 0 CEAERO Cc1ccc([C@H](O)CN2C[C@H]3CC[C@@H](C2)O3)c(C)c1 ZINC000090906931 180061362 /nfs/dbraw/zinc/06/13/62/180061362.db2.gz KXYMCKGJFGSKSK-IJEWVQPXSA-N 1 0 261.365 2.200 10 0 CEAERO CCC[C@]1(CN2C[C@H]3CC[C@@H](C2)O3)CCC[NH2+]C1 ZINC000090908658 180061704 /nfs/dbraw/zinc/06/17/04/180061704.db2.gz BMNUOZQLTFYZMI-ZNMIVQPWSA-N 1 0 252.402 2.020 10 0 CEAERO C(C[NH2+]C1CCCCC1)CN1C[C@H]2CC[C@@H](C1)O2 ZINC000090908046 180061733 /nfs/dbraw/zinc/06/17/33/180061733.db2.gz KPAKDALWPGKTQQ-GASCZTMLSA-N 1 0 252.402 2.162 10 0 CEAERO c1ccc([C@H](C[NH2+]C2CC2)N2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090907885 180061986 /nfs/dbraw/zinc/06/19/86/180061986.db2.gz FBIBDOPOXSWIGY-BBWFWOEESA-N 1 0 272.392 2.343 10 0 CEAERO C[NH2+][C@H](CCN1C[C@H]2CC[C@@H](C1)O2)c1ccccc1F ZINC000090907556 180062164 /nfs/dbraw/zinc/06/21/64/180062164.db2.gz NARGXNBRSPSXDS-DVOMOZLQSA-N 1 0 278.371 2.340 10 0 CEAERO Cc1cc([C@H](C)NC(=O)c2csc(CC[NH3+])n2)c(C)o1 ZINC000090953232 180073563 /nfs/dbraw/zinc/07/35/63/180073563.db2.gz KWWSTYMCTYZCQZ-VIFPVBQESA-N 1 0 293.392 2.345 10 0 CEAERO Cc1ccnc(Cl)c1NC(=O)c1csc(CC[NH3+])n1 ZINC000090957605 180074941 /nfs/dbraw/zinc/07/49/41/180074941.db2.gz AIKOZJUXXHGWOD-UHFFFAOYSA-N 1 0 296.783 2.253 10 0 CEAERO CCN(CC)C(=O)CC[NH2+]Cc1sccc1NC(C)=O ZINC000090960187 180075395 /nfs/dbraw/zinc/07/53/95/180075395.db2.gz LSTBMDCKMMSSSK-UHFFFAOYSA-N 1 0 297.424 2.055 10 0 CEAERO Nc1ccsc1C[NH2+][C@H](CO)Cc1ccccc1 ZINC000090960692 180076372 /nfs/dbraw/zinc/07/63/72/180076372.db2.gz MMLPOMVKKGFEQA-LBPRGKRZSA-N 1 0 262.378 2.024 10 0 CEAERO C[C@H]1CCC[C@@](CO)([NH2+]Cc2sccc2N)C1 ZINC000090960616 180076500 /nfs/dbraw/zinc/07/65/00/180076500.db2.gz KVRLOSSBLAALJK-GXFFZTMASA-N 1 0 254.399 2.361 10 0 CEAERO c1ccc2c(c1)C[C@H]2CN1CCC[NH2+][C@H](C2CC2)C1 ZINC000090982275 180079652 /nfs/dbraw/zinc/07/96/52/180079652.db2.gz YFBJYKTWHBXNFO-RDJZCZTQSA-N 1 0 256.393 2.400 10 0 CEAERO CN(CCC1CC[NH2+]CC1)C(=O)[C@@H]1Cc2ccccc21 ZINC000090983772 180080371 /nfs/dbraw/zinc/08/03/71/180080371.db2.gz JJPDHUVTLUUIFR-MRXNPFEDSA-N 1 0 272.392 2.174 10 0 CEAERO CC1CCC(C[NH3+])(NC(=O)[C@@H]2Cc3ccccc32)CC1 ZINC000090987198 180080808 /nfs/dbraw/zinc/08/08/08/180080808.db2.gz QVKVFAKNOMEDJN-YAJUMTOWSA-N 1 0 272.392 2.350 10 0 CEAERO CNC(=O)CCn1cc(C[NH2+]C(C)C)c2ccccc21 ZINC000090995512 180082669 /nfs/dbraw/zinc/08/26/69/180082669.db2.gz VTOPRGIBIBCIJE-UHFFFAOYSA-N 1 0 273.380 2.275 10 0 CEAERO [NH3+]Cc1cccn1Cc1ccn(-c2ccccc2)n1 ZINC000090995133 180082835 /nfs/dbraw/zinc/08/28/35/180082835.db2.gz XPAMEEYZUWOEKL-UHFFFAOYSA-N 1 0 252.321 2.181 10 0 CEAERO CCCc1noc(Cn2cc(C[NH3+])c3ccccc32)n1 ZINC000090995071 180082936 /nfs/dbraw/zinc/08/29/36/180082936.db2.gz MWWNCXJURGWGLY-UHFFFAOYSA-N 1 0 270.336 2.484 10 0 CEAERO CCn1cc(Cn2cccc2C[NH2+]CC(C)C)cn1 ZINC000091001887 180083321 /nfs/dbraw/zinc/08/33/21/180083321.db2.gz BGIGZUZZIIBTNT-UHFFFAOYSA-N 1 0 260.385 2.498 10 0 CEAERO CCCCNC(=O)Cn1cccc1C[NH2+]CC(C)C ZINC000091001797 180083442 /nfs/dbraw/zinc/08/34/42/180083442.db2.gz LBIDVNNZGQYZCO-UHFFFAOYSA-N 1 0 265.401 2.150 10 0 CEAERO CC(C)CCNC(=O)Cn1cccc1C[NH2+]C(C)C ZINC000091001121 180083468 /nfs/dbraw/zinc/08/34/68/180083468.db2.gz UHFCMRBJFSRWQD-UHFFFAOYSA-N 1 0 265.401 2.148 10 0 CEAERO CCC[NH2+]Cc1cccn1Cc1noc(CCC)n1 ZINC000090996178 180083488 /nfs/dbraw/zinc/08/34/88/180083488.db2.gz UOWJSHADLCARRE-UHFFFAOYSA-N 1 0 262.357 2.372 10 0 CEAERO CN(C)C(=O)CCCn1cccc1C[NH2+]C(C)(C)C ZINC000091001765 180083548 /nfs/dbraw/zinc/08/35/48/180083548.db2.gz UGYCHDWSLWDYCD-UHFFFAOYSA-N 1 0 265.401 2.245 10 0 CEAERO [NH3+]CCc1ccn(C[C@H]2OCCc3ccccc32)c1 ZINC000091004802 180083999 /nfs/dbraw/zinc/08/39/99/180083999.db2.gz KDSAUYWHHBOVMD-MRXNPFEDSA-N 1 0 256.349 2.303 10 0 CEAERO Cc1nn(CCn2cccn2)c(C)c1C[NH2+]CC(C)C ZINC000091002326 180084262 /nfs/dbraw/zinc/08/42/62/180084262.db2.gz KNEOTJLFDDUODT-UHFFFAOYSA-N 1 0 275.400 2.142 10 0 CEAERO CCn1ncnc1Cn1cc(C[C@H](C)[NH3+])c2ccccc21 ZINC000091005120 180084720 /nfs/dbraw/zinc/08/47/20/180084720.db2.gz YUCNAWWOUYYQMZ-LBPRGKRZSA-N 1 0 283.379 2.191 10 0 CEAERO CC[C@H]([NH3+])Cc1cccn1Cc1cc(C)nn1CC ZINC000091005783 180084777 /nfs/dbraw/zinc/08/47/77/180084777.db2.gz OZWXYISGXAHEAZ-ZDUSSCGKSA-N 1 0 260.385 2.341 10 0 CEAERO CCn1ccc(C[NH2+][C@H]2CCCc3c2cnn3C)c1 ZINC000091011506 180086130 /nfs/dbraw/zinc/08/61/30/180086130.db2.gz NNWLNKAGACZEQN-AWEZNQCLSA-N 1 0 258.369 2.409 10 0 CEAERO c1[nH]c2ncccc2c1C[NH2+]C1CCN(C2CC2)CC1 ZINC000091016787 180086836 /nfs/dbraw/zinc/08/68/36/180086836.db2.gz WBIIUJCQIGDCGH-UHFFFAOYSA-N 1 0 270.380 2.279 10 0 CEAERO C[C@H](Cn1cc(C[NH2+]C(C)(C)C)c2cccnc21)C(N)=O ZINC000091021027 180088823 /nfs/dbraw/zinc/08/88/23/180088823.db2.gz FKCQDWLSFPORMD-LLVKDONJSA-N 1 0 288.395 2.046 10 0 CEAERO [NH3+]CCc1cn(CCOCC(F)(F)F)c2ncccc12 ZINC000091021422 180088824 /nfs/dbraw/zinc/08/88/24/180088824.db2.gz POCPMTPYWNBDCX-UHFFFAOYSA-N 1 0 287.285 2.116 10 0 CEAERO Cc1nonc1Cn1cc(C[NH2+]C2CC2)c2cccnc21 ZINC000091020972 180088980 /nfs/dbraw/zinc/08/89/80/180088980.db2.gz SLFDMQXBPHZITE-UHFFFAOYSA-N 1 0 283.335 2.028 10 0 CEAERO [NH3+]CCc1nc(C(=O)Nc2cccc(F)c2)cs1 ZINC000090945870 180069826 /nfs/dbraw/zinc/06/98/26/180069826.db2.gz NDHVXABMPVKDDZ-UHFFFAOYSA-N 1 0 265.313 2.036 10 0 CEAERO COc1ccc([C@H](C)NC(=O)[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000090310379 539760167 /nfs/dbraw/zinc/76/01/67/539760167.db2.gz CPVXYUZZECCMKS-LNSITVRQSA-N 1 0 276.380 2.247 10 0 CEAERO Cc1nn(C(C)C)c(C)c1NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000091135534 180104834 /nfs/dbraw/zinc/10/48/34/180104834.db2.gz IUUFWAOAMPEQHZ-GFCCVEGCSA-N 1 0 296.440 2.114 10 0 CEAERO CCN(CC)C(=O)C[C@H](CN)[N@H+](C)C1CCCCCC1 ZINC000091322691 180134464 /nfs/dbraw/zinc/13/44/64/180134464.db2.gz SEUGOKGZWZLBQP-OAHLLOKOSA-N 1 0 283.460 2.227 10 0 CEAERO CC(C)C[NH+](CC(C)C)[C@H](CN)CC(=O)NC(C)(C)C ZINC000091321096 180134479 /nfs/dbraw/zinc/13/44/79/180134479.db2.gz MAIVQLZNRYZVPW-AWEZNQCLSA-N 1 0 285.476 2.233 10 0 CEAERO [NH3+]Cc1cnn(-c2ccc(Br)cn2)c1C1CC1 ZINC000091339904 180136239 /nfs/dbraw/zinc/13/62/39/180136239.db2.gz UHATYAWOFSGXAH-UHFFFAOYSA-N 1 0 293.168 2.366 10 0 CEAERO CCN(C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1)C1CC1 ZINC000091359316 180140227 /nfs/dbraw/zinc/14/02/27/180140227.db2.gz ZENDWXFYLROXTQ-XBFCOCLRSA-N 1 0 250.386 2.308 10 0 CEAERO CCC[NH2+]Cc1c(C)nn(C)c1S[C@H](C)CCO ZINC000091268361 180117073 /nfs/dbraw/zinc/11/70/73/180117073.db2.gz MNWOKLDZRBBPAW-SNVBAGLBSA-N 1 0 271.430 2.091 10 0 CEAERO CC(C)[NH2+]C[C@H]1CCN(C)[C@@H]1c1cncn1C1CC1 ZINC000091275416 180118638 /nfs/dbraw/zinc/11/86/38/180118638.db2.gz TWHRIIMNOIESBE-DOMZBBRYSA-N 1 0 262.401 2.209 10 0 CEAERO CC(C)N1C(=O)CCC[C@H]([NH3+])[C@@H]1c1cncn1C1CC1 ZINC000091275598 180118938 /nfs/dbraw/zinc/11/89/38/180118938.db2.gz VSSMVMGRYIVVJY-SWLSCSKDSA-N 1 0 276.384 2.007 10 0 CEAERO O[C@@H](c1cncn1C1CC1)[C@H]1[NH2+]Cc2ccccc21 ZINC000091277440 180119539 /nfs/dbraw/zinc/11/95/39/180119539.db2.gz OYVGVQQWKVKDTA-GJZGRUSLSA-N 1 0 255.321 2.096 10 0 CEAERO [NH3+]C[C@@H](c1cncn1C1CC1)N(CC1CC1)C1CC1 ZINC000091276607 180119836 /nfs/dbraw/zinc/11/98/36/180119836.db2.gz YVIQWCDQQIDCDX-AWEZNQCLSA-N 1 0 260.385 2.092 10 0 CEAERO CCCN(CC1CC1)[C@@H](C[NH3+])c1cncn1C1CC1 ZINC000091276371 180120278 /nfs/dbraw/zinc/12/02/78/180120278.db2.gz WCBAQBSWZCOFQM-AWEZNQCLSA-N 1 0 262.401 2.340 10 0 CEAERO COc1ccc(CN(C)CC[C@@H]2CSCC[NH2+]2)cc1 ZINC000091292073 180123844 /nfs/dbraw/zinc/12/38/44/180123844.db2.gz OSXJVBOHGUSPJK-CQSZACIVSA-N 1 0 280.437 2.222 10 0 CEAERO Clc1cccc2nc(C[C@H]3C[NH2+]CCO3)sc21 ZINC000091294603 180124927 /nfs/dbraw/zinc/12/49/27/180124927.db2.gz ZCRRWBQLLINRNU-QMMMGPOBSA-N 1 0 268.769 2.481 10 0 CEAERO CCC[C@@H]1CC[C@H](O)[C@H]([N@@H+]2CCC[C@H](N(C)C)C2)C1 ZINC000091430041 180153106 /nfs/dbraw/zinc/15/31/06/180153106.db2.gz DJIOSWMNOGRUND-QXSJWSMHSA-N 1 0 268.445 2.342 10 0 CEAERO C[C@H](O)c1cccc(NC(=O)N2CCC[C@H]([NH+](C)C)C2)c1 ZINC000091433277 180154176 /nfs/dbraw/zinc/15/41/76/180154176.db2.gz DXJPZWHDCSOVPY-WFASDCNBSA-N 1 0 291.395 2.298 10 0 CEAERO C[NH2+]Cc1cncc(Oc2ccc(F)cc2F)n1 ZINC000091434161 180154206 /nfs/dbraw/zinc/15/42/06/180154206.db2.gz GMDNMSSQBGMXTG-UHFFFAOYSA-N 1 0 251.236 2.267 10 0 CEAERO CCC[NH2+]Cc1cncc(O[C@H](C)C(F)(F)F)n1 ZINC000091435608 180154326 /nfs/dbraw/zinc/15/43/26/180154326.db2.gz LRRYVZJIXIUUNY-MRVPVSSYSA-N 1 0 263.263 2.306 10 0 CEAERO CC(C)[NH2+]Cc1cncc(Oc2ccc3c(c2)OCO3)n1 ZINC000091434108 180154368 /nfs/dbraw/zinc/15/43/68/180154368.db2.gz AXOYSZHRTFGTCZ-UHFFFAOYSA-N 1 0 287.319 2.496 10 0 CEAERO CNc1c(F)cccc1C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000091449973 180158029 /nfs/dbraw/zinc/15/80/29/180158029.db2.gz ACCYCTUDRVXSGI-NSHDSACASA-N 1 0 279.359 2.034 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccccc1OC)N(C)CC1CC(O)C1 ZINC000091451135 180159169 /nfs/dbraw/zinc/15/91/69/180159169.db2.gz ZHKRVUSVRHVRNO-IDQHFDBOSA-N 1 0 292.423 2.176 10 0 CEAERO C[NH2+]CC[C@H]1CCCCN1C(=O)c1ccncc1Cl ZINC000091457071 180160193 /nfs/dbraw/zinc/16/01/93/180160193.db2.gz UWVMKVWXYMUBGP-LLVKDONJSA-N 1 0 281.787 2.339 10 0 CEAERO c1coc(C[N@@H+](CCC2OCCCO2)C2CC2)c1 ZINC000091465833 180163862 /nfs/dbraw/zinc/16/38/62/180163862.db2.gz ODTBLSONZKHRRW-UHFFFAOYSA-N 1 0 251.326 2.397 10 0 CEAERO CC(C)C[NH2+]C[C@H](O)Cc1ccnc2ccccc12 ZINC000091468025 180164192 /nfs/dbraw/zinc/16/41/92/180164192.db2.gz PWTLQLYPPGCUJI-CQSZACIVSA-N 1 0 258.365 2.384 10 0 CEAERO CC[C@@H](C)n1ccc(C[C@@H](O)C[NH2+]CC(C)C)n1 ZINC000091467864 180164193 /nfs/dbraw/zinc/16/41/93/180164193.db2.gz ZFCYUQCWPINZSF-TZMCWYRMSA-N 1 0 253.390 2.003 10 0 CEAERO COCC[NH2+]C[C@H](O)C[C@H]1CCCc2ccccc21 ZINC000091470262 180164854 /nfs/dbraw/zinc/16/48/54/180164854.db2.gz GIZNNRHQEABFFH-HUUCEWRRSA-N 1 0 263.381 2.094 10 0 CEAERO C[NH2+]CC1CC(Oc2nnc(C)c3ccccc32)C1 ZINC000091474845 180165281 /nfs/dbraw/zinc/16/52/81/180165281.db2.gz ZFMWIVOFXQTREH-UHFFFAOYSA-N 1 0 257.337 2.315 10 0 CEAERO CCn1nc(C)c(Cl)c1COC1CC(C[NH2+]C)C1 ZINC000091473463 180165388 /nfs/dbraw/zinc/16/53/88/180165388.db2.gz UHDRTEDYYHNCNB-UHFFFAOYSA-N 1 0 271.792 2.379 10 0 CEAERO CCc1csc(N2CCC(C[NH3+])(SC)CC2)n1 ZINC000091475040 180165797 /nfs/dbraw/zinc/16/57/97/180165797.db2.gz GLSDRCDPFBADAA-UHFFFAOYSA-N 1 0 271.455 2.366 10 0 CEAERO CSC1(C(N)=S)CC[NH+](Cc2cccnc2)CC1 ZINC000091478102 180166395 /nfs/dbraw/zinc/16/63/95/180166395.db2.gz PKZGXGNRSSBPTQ-UHFFFAOYSA-N 1 0 281.450 2.065 10 0 CEAERO C[N@H+](CC[C@@H](N)c1ccc(Cl)cc1)CC1CC(O)C1 ZINC000091489219 180168436 /nfs/dbraw/zinc/16/84/36/180168436.db2.gz GXFKBYURZGUCOK-WDIPEOLASA-N 1 0 282.815 2.433 10 0 CEAERO CC1(C)C(C(=O)N[C@H]2CCCCC[C@@H]2[NH3+])C1(C)C ZINC000091492717 180170452 /nfs/dbraw/zinc/17/04/52/180170452.db2.gz FLXMGMCLXBJFMM-QWRGUYRKSA-N 1 0 252.402 2.445 10 0 CEAERO CC1(C)C(C(=O)N2C[C@@H]3C[C@@H]([NH3+])CC[C@@H]3C2)C1(C)C ZINC000091492640 180170590 /nfs/dbraw/zinc/17/05/90/180170590.db2.gz TWUQOSAUIHYVPT-WOPDTQHZSA-N 1 0 264.413 2.254 10 0 CEAERO Cc1nc(C2Cc3ccccc3C2)[nH+]c(NN)c1F ZINC000091501712 180175241 /nfs/dbraw/zinc/17/52/41/180175241.db2.gz JJEKXVZXKDZQOQ-UHFFFAOYSA-N 1 0 258.300 2.092 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000091496773 180172339 /nfs/dbraw/zinc/17/23/39/180172339.db2.gz AUUUXJWEZUITJU-DVMIWYLISA-N 1 0 291.439 2.395 10 0 CEAERO Cc1ncccc1NC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000091497036 180172411 /nfs/dbraw/zinc/17/24/11/180172411.db2.gz NUSHYCOHNGRVHT-OAHLLOKOSA-N 1 0 255.321 2.203 10 0 CEAERO CCc1cccc(C)c1NC(=O)C[N@H+](C)CC1CC(O)C1 ZINC000091499540 180173858 /nfs/dbraw/zinc/17/38/58/180173858.db2.gz FHQFUGOCMOLDLU-UHFFFAOYSA-N 1 0 290.407 2.199 10 0 CEAERO COc1ccc(C=O)cc1CN1CCC[C@@H]([NH+](C)C)C1 ZINC000091392113 180144807 /nfs/dbraw/zinc/14/48/07/180144807.db2.gz QODGNPQRSYYADV-OAHLLOKOSA-N 1 0 276.380 2.034 10 0 CEAERO CCC[NH2+][C@H](C)C(C)(C)CN1CCn2ccnc2C1 ZINC000091404860 180147092 /nfs/dbraw/zinc/14/70/92/180147092.db2.gz ZFZMFANQWDCSLP-CYBMUJFWSA-N 1 0 264.417 2.113 10 0 CEAERO COc1ccc(C)cc1CN1CC2(CC1=O)CC[NH2+]CC2 ZINC000091415120 180148756 /nfs/dbraw/zinc/14/87/56/180148756.db2.gz XTOOOZDQMKBJCZ-UHFFFAOYSA-N 1 0 288.391 2.106 10 0 CEAERO COc1ccc2cc(C[NH2+]C3CC(O)C3)ccc2c1 ZINC000091416137 180149711 /nfs/dbraw/zinc/14/97/11/180149711.db2.gz RYUOCCVBGLBXRP-UHFFFAOYSA-N 1 0 257.333 2.461 10 0 CEAERO Cc1nn(-c2cncc(C[NH2+]CC(C)C)n2)c(C)c1C ZINC000091422444 180151288 /nfs/dbraw/zinc/15/12/88/180151288.db2.gz CDIQFQPAKDIJCX-UHFFFAOYSA-N 1 0 273.384 2.333 10 0 CEAERO C[C@@H]([NH2+]C1CC(O)C1)c1ccc2c(c1)OCCCO2 ZINC000091426392 180152314 /nfs/dbraw/zinc/15/23/14/180152314.db2.gz NSMPZBTZMXJVFB-QFWMXSHPSA-N 1 0 263.337 2.022 10 0 CEAERO CC1CCC([C@@H](O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000091566041 180193945 /nfs/dbraw/zinc/19/39/45/180193945.db2.gz XCCUHQTZUWALAS-JXQTWKCFSA-N 1 0 255.402 2.284 10 0 CEAERO CC(C)([C@@H]([NH3+])c1cc(F)ccc1F)N1CCOCC1 ZINC000091566061 180194107 /nfs/dbraw/zinc/19/41/07/180194107.db2.gz DQMLAYIYLLTCKO-ZDUSSCGKSA-N 1 0 270.323 2.075 10 0 CEAERO CC(C)([C@@H]([NH3+])C[C@H]1Cc2ccccc21)N1CCOCC1 ZINC000091566152 180194144 /nfs/dbraw/zinc/19/41/44/180194144.db2.gz VCRIUXQGHOWMSC-ZBFHGGJFSA-N 1 0 274.408 2.155 10 0 CEAERO CC[NH2+][C@H](CC[C@@H]1CCCO1)C(C)(C)N1CCOCC1 ZINC000091566881 180194921 /nfs/dbraw/zinc/19/49/21/180194921.db2.gz RNQCSGQLDPUTTI-LSDHHAIUSA-N 1 0 284.444 2.035 10 0 CEAERO CC(C)([C@@H](N)C1CCOCC1)[NH+]1CCCCCC1 ZINC000091567779 180194966 /nfs/dbraw/zinc/19/49/66/180194966.db2.gz DIUQDXMUVRATTO-AWEZNQCLSA-N 1 0 254.418 2.395 10 0 CEAERO CC[C@](C)([C@@H]([NH2+]C)c1ccc2c(c1)OCCO2)N(C)C ZINC000091570539 180195391 /nfs/dbraw/zinc/19/53/91/180195391.db2.gz DUJLWHDHXQWXJU-JKSUJKDBSA-N 1 0 278.396 2.449 10 0 CEAERO CC[C@](C)([C@@H](N)Cc1cccc(OC)c1)[NH+](C)C ZINC000091570031 180195513 /nfs/dbraw/zinc/19/55/13/180195513.db2.gz INMRHNVKWQHRRX-LSDHHAIUSA-N 1 0 250.386 2.295 10 0 CEAERO CC[C@](C)([C@H]([NH2+]C)c1ccc2c(c1)OCCO2)N(C)C ZINC000091570537 180195698 /nfs/dbraw/zinc/19/56/98/180195698.db2.gz DUJLWHDHXQWXJU-HZPDHXFCSA-N 1 0 278.396 2.449 10 0 CEAERO CCn1nccc1[C@H](O)[C@](C)(CC)[NH+](CC)CC ZINC000091572770 180196478 /nfs/dbraw/zinc/19/64/78/180196478.db2.gz JGTZXSFXPFNLOL-KBPBESRZSA-N 1 0 253.390 2.447 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@@H](O)Cc1ncnn1C(C)C ZINC000091572890 180196715 /nfs/dbraw/zinc/19/67/15/180196715.db2.gz ALPMJFLRYRHQDC-ZFWWWQNUSA-N 1 0 282.432 2.273 10 0 CEAERO CCC[NH2+][C@H](Cc1cc(C)nn1C)[C@](C)(CC)N(C)C ZINC000091572051 180196721 /nfs/dbraw/zinc/19/67/21/180196721.db2.gz FTWQNKQJQSYQHM-CVEARBPZSA-N 1 0 280.460 2.370 10 0 CEAERO CCC[C@@H]([NH2+][C@@H]1CC(=O)N(CC)C1=O)c1cccs1 ZINC000105101670 186041936 /nfs/dbraw/zinc/04/19/36/186041936.db2.gz WANFIALEPDTPNJ-GHMZBOCLSA-N 1 0 280.393 2.326 10 0 CEAERO CC[C@H]([NH2+][C@@H]1CC(=O)N(C(C)C)C1=O)c1cccs1 ZINC000105088501 186042104 /nfs/dbraw/zinc/04/21/04/186042104.db2.gz NTOIEABYBTUJMV-WDEREUQCSA-N 1 0 280.393 2.325 10 0 CEAERO CCc1cc(C[C@@H](O)[C@@](C)(CC)[NH+]2CCCC2)n(C)n1 ZINC000091603012 180203591 /nfs/dbraw/zinc/20/35/91/180203591.db2.gz XFCJGNUPBUYIQL-HZPDHXFCSA-N 1 0 279.428 2.150 10 0 CEAERO CC[NH2+][C@H](Cc1cnn(C)c1)[C@](C)(CC)N1CCCC1 ZINC000091607221 180204764 /nfs/dbraw/zinc/20/47/64/180204764.db2.gz AHMMOUVSAHXLAD-CVEARBPZSA-N 1 0 278.444 2.205 10 0 CEAERO CC[C@@](C)([C@H](O)Cc1ccc(C)cc1)[NH+]1CCOCC1 ZINC000091611325 180206718 /nfs/dbraw/zinc/20/67/18/180206718.db2.gz UFJYYANPWVCQAQ-SJORKVTESA-N 1 0 277.408 2.399 10 0 CEAERO CC[NH2+][C@H](c1cccnc1)[C@@](C)(CC)N1CCOCC1 ZINC000091612850 180206989 /nfs/dbraw/zinc/20/69/89/180206989.db2.gz NZOMTNUDTQTEFS-HZPDHXFCSA-N 1 0 277.412 2.233 10 0 CEAERO CCC(CC)([C@H]([NH2+]C)c1cc(C)cnc1N)N(C)C ZINC000091614312 180207667 /nfs/dbraw/zinc/20/76/67/180207667.db2.gz WBRQROSRYMYEAN-CYBMUJFWSA-N 1 0 264.417 2.353 10 0 CEAERO CC[NH+](CC)C(CC)(CC)[C@H](N)c1ccnn1C ZINC000091615963 180207682 /nfs/dbraw/zinc/20/76/82/180207682.db2.gz IHXHJEKZVLWABF-CYBMUJFWSA-N 1 0 252.406 2.321 10 0 CEAERO CCC(CC)([C@@H]([NH2+]C)c1cnccc1N)N(C)C ZINC000091614369 180208188 /nfs/dbraw/zinc/20/81/88/180208188.db2.gz FHDWWFPQCWYVFD-ZDUSSCGKSA-N 1 0 250.390 2.045 10 0 CEAERO Cc1nc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)ccc1Br ZINC000091507074 180176437 /nfs/dbraw/zinc/17/64/37/180176437.db2.gz DXNLHUHOJVXEGI-BDAKNGLRSA-N 1 0 298.184 2.218 10 0 CEAERO CCc1ccc(C[C@](C)(O)CC[NH2+]CCOC)s1 ZINC000091523119 180178133 /nfs/dbraw/zinc/17/81/33/180178133.db2.gz BELDIHUUAZWRRW-CQSZACIVSA-N 1 0 271.426 2.230 10 0 CEAERO CCCn1nccc1[C@@](C)(O)CC[NH2+]CC(C)C ZINC000091520611 180178135 /nfs/dbraw/zinc/17/81/35/180178135.db2.gz KPCOSANGCGRGHG-AWEZNQCLSA-N 1 0 253.390 2.136 10 0 CEAERO C[C@](O)(C[NH3+])Cc1nc2ccccc2n1-c1ccccc1 ZINC000091521186 180178149 /nfs/dbraw/zinc/17/81/49/180178149.db2.gz XDFLMXRPGHFBQZ-QGZVFWFLSA-N 1 0 281.359 2.278 10 0 CEAERO CCCn1nccc1[C@](C)(O)CC[NH2+]CC(C)C ZINC000091520610 180178355 /nfs/dbraw/zinc/17/83/55/180178355.db2.gz KPCOSANGCGRGHG-CQSZACIVSA-N 1 0 253.390 2.136 10 0 CEAERO CC(C)C[NH2+]CC[C@@](C)(O)[C@H]1Cc2ccccc2N1 ZINC000091520623 180178394 /nfs/dbraw/zinc/17/83/94/180178394.db2.gz SZFLXARZYCPWLF-HZPDHXFCSA-N 1 0 262.397 2.410 10 0 CEAERO OC1CC(C[NH2+][C@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC000091525446 180178774 /nfs/dbraw/zinc/17/87/74/180178774.db2.gz NDXXPFDFPUVKSI-TVUZUIDESA-N 1 0 251.292 2.468 10 0 CEAERO CC(C)CO[C@@H]1C[C@H]([NH2+]CC2CC(O)C2)C1(C)C ZINC000091525407 180178978 /nfs/dbraw/zinc/17/89/78/180178978.db2.gz NXNVJMQZARGJEQ-CLRIEMFWSA-N 1 0 255.402 2.187 10 0 CEAERO CC[NH2+][C@@H](c1cnn(C)c1)C(C)(C)N(CC)CC ZINC000091531576 180180493 /nfs/dbraw/zinc/18/04/93/180180493.db2.gz NCJWDKZZSYMDKH-ZDUSSCGKSA-N 1 0 252.406 2.191 10 0 CEAERO CC[NH+](CC)C(C)(C)[C@@H](N)c1c(C)ccnc1N ZINC000091530327 180180513 /nfs/dbraw/zinc/18/05/13/180180513.db2.gz WTCITFWZEXWJQH-LBPRGKRZSA-N 1 0 250.390 2.092 10 0 CEAERO CC[NH2+][C@@H](c1cncnc1)C(C)(C)N(CC)CC ZINC000091531305 180180595 /nfs/dbraw/zinc/18/05/95/180180595.db2.gz RGSQTIFCKOWIMR-ZDUSSCGKSA-N 1 0 250.390 2.248 10 0 CEAERO C[NH2+][C@@H](CCc1ccc2c(c1)CCO2)C(C)(C)N(C)C ZINC000091528633 180180603 /nfs/dbraw/zinc/18/06/03/180180603.db2.gz JZBGWUITYNGEAD-INIZCTEOSA-N 1 0 276.424 2.482 10 0 CEAERO CCCn1ncnc1C[C@@H]([NH2+]CC)C(C)(C)N(CC)CC ZINC000091531768 180180693 /nfs/dbraw/zinc/18/06/93/180180693.db2.gz JVAXVANUCIYGIM-CQSZACIVSA-N 1 0 295.475 2.329 10 0 CEAERO C[NH2+][C@H](Cc1ccc(OC)c(F)c1)C(C)(C)N(C)C ZINC000091528573 180180928 /nfs/dbraw/zinc/18/09/28/180180928.db2.gz MSTKFIOLQRVBDG-CQSZACIVSA-N 1 0 268.376 2.305 10 0 CEAERO CC[NH2+][C@H](Cc1cc(C)nn1CC)C(C)(C)N(C)C ZINC000091529097 180180965 /nfs/dbraw/zinc/18/09/65/180180965.db2.gz AUYITCUANRZQKD-CQSZACIVSA-N 1 0 266.433 2.072 10 0 CEAERO CCCn1ncnc1C[C@H]([NH2+]CC)C(C)(C)N1CCCC1 ZINC000091535838 180182091 /nfs/dbraw/zinc/18/20/91/180182091.db2.gz YBQOAWGUDGMSKN-AWEZNQCLSA-N 1 0 293.459 2.083 10 0 CEAERO COc1ccccc1CC[N@H+](C)C[C@H](O)COC(C)(C)C ZINC000104962729 186036651 /nfs/dbraw/zinc/03/66/51/186036651.db2.gz NDBSNCMITWWTEE-HNNXBMFYSA-N 1 0 295.423 2.346 10 0 CEAERO [NH3+]C1CC(CNC(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000091538499 180182784 /nfs/dbraw/zinc/18/27/84/180182784.db2.gz JMZZKHCARCIFJT-UHFFFAOYSA-N 1 0 272.270 2.173 10 0 CEAERO OC1CC(C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000091538427 180182996 /nfs/dbraw/zinc/18/29/96/180182996.db2.gz BSQSHVFQZNVRLA-CGZBRXJRSA-N 1 0 274.408 2.012 10 0 CEAERO CC(C)CN(CC(F)(F)F)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091539443 180183068 /nfs/dbraw/zinc/18/30/68/180183068.db2.gz ZNTYSNSJQVDZCX-ZJUUUORDSA-N 1 0 266.307 2.161 10 0 CEAERO COc1cc(Cl)c(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1OC ZINC000091541077 180183734 /nfs/dbraw/zinc/18/37/34/180183734.db2.gz LPXARQSWWZQWAW-BDAKNGLRSA-N 1 0 298.770 2.423 10 0 CEAERO CCOc1cc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)ccc1OC ZINC000091544060 180184999 /nfs/dbraw/zinc/18/49/99/180184999.db2.gz CPFQIOPKPFUDND-GHMZBOCLSA-N 1 0 278.352 2.160 10 0 CEAERO [NH3+][C@@H]1CC[C@H](C(=O)Nc2ccc(N3CCCC3)cc2)C1 ZINC000091546253 180187096 /nfs/dbraw/zinc/18/70/96/180187096.db2.gz FOTWDJCNJICAPS-QWHCGFSZSA-N 1 0 273.380 2.353 10 0 CEAERO CC[C@@H]([NH2+][C@H]1CC(=O)N(c2ccccc2)C1=O)C(C)C ZINC000105028351 186038606 /nfs/dbraw/zinc/03/86/06/186038606.db2.gz RNWOHMWKNJKKLV-KGLIPLIRSA-N 1 0 274.364 2.343 10 0 CEAERO O=c1cc(C[NH2+][C@H]2CCSC2)[nH]c2ccc(F)cc12 ZINC000091625352 180209576 /nfs/dbraw/zinc/20/95/76/180209576.db2.gz CNXZDISIXGFELC-JTQLQIEISA-N 1 0 278.352 2.262 10 0 CEAERO CCN(CC)C1([C@@H]([NH2+]C)[C@H]2CCOC2)CCCC1 ZINC000091639433 180211895 /nfs/dbraw/zinc/21/18/95/180211895.db2.gz UCDKNTKMDDRVSV-KBPBESRZSA-N 1 0 254.418 2.266 10 0 CEAERO CC[NH2+][C@H](Cc1cccnc1N)C1(N(C)C)CCCC1 ZINC000091638018 180212259 /nfs/dbraw/zinc/21/22/59/180212259.db2.gz ZPGACDVNORCITH-CQSZACIVSA-N 1 0 276.428 2.059 10 0 CEAERO CC[NH+](CC)C1([C@H](N)C2CCOCC2)CCCC1 ZINC000091639066 180212456 /nfs/dbraw/zinc/21/24/56/180212456.db2.gz ANZAAJBRTAFTHC-CQSZACIVSA-N 1 0 254.418 2.395 10 0 CEAERO CN[C@@H](c1nccn1C)C1([NH+]2CCCC2)CCCC1 ZINC000091640913 180212979 /nfs/dbraw/zinc/21/29/79/180212979.db2.gz BWTPMDCSWUROLI-ZDUSSCGKSA-N 1 0 262.401 2.089 10 0 CEAERO N[C@@H](c1cnccn1)C1([NH+]2CCCCC2)CCCC1 ZINC000091641851 180212994 /nfs/dbraw/zinc/21/29/94/180212994.db2.gz JYHTVLZYVGNYTG-AWEZNQCLSA-N 1 0 260.385 2.275 10 0 CEAERO N[C@H](c1cncnc1)C1([NH+]2CCCCC2)CCCC1 ZINC000091641846 180213164 /nfs/dbraw/zinc/21/31/64/180213164.db2.gz DOPKRDHONZCEQO-CQSZACIVSA-N 1 0 260.385 2.275 10 0 CEAERO N[C@@H](Cc1ccccn1)C1([NH+]2CCCC2)CCCC1 ZINC000091640511 180213395 /nfs/dbraw/zinc/21/33/95/180213395.db2.gz BQCZEAQVQZLEQX-HNNXBMFYSA-N 1 0 259.397 2.360 10 0 CEAERO C[NH2+][C@H](CCC1CC1)C1(N2CCOCC2)CCCC1 ZINC000091643218 180213967 /nfs/dbraw/zinc/21/39/67/180213967.db2.gz XZSRUAQBSUFZCS-OAHLLOKOSA-N 1 0 266.429 2.410 10 0 CEAERO CCc1cc(C[C@@H](N)C2([NH+](C)C)CCCCC2)n(C)n1 ZINC000091647209 180215840 /nfs/dbraw/zinc/21/58/40/180215840.db2.gz CARVDYWSDGVREH-OAHLLOKOSA-N 1 0 278.444 2.117 10 0 CEAERO CC1CCC([C@H](O)Cc2ccncc2)([NH+](C)C)CC1 ZINC000091648629 180216631 /nfs/dbraw/zinc/21/66/31/180216631.db2.gz CWXYFRABYMSNSP-OGVSOVDVSA-N 1 0 262.397 2.496 10 0 CEAERO CC[N@@H+]1CC[C@@H](CNc2nc(Cl)ncc2F)C1 ZINC000091655279 180217337 /nfs/dbraw/zinc/21/73/37/180217337.db2.gz XPBWIFIJDAIABJ-QMMMGPOBSA-N 1 0 258.728 2.023 10 0 CEAERO [NH3+][C@H](C1CC1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000091690958 180227224 /nfs/dbraw/zinc/22/72/24/180227224.db2.gz ILBAKXFMZDVKEE-HUUCEWRRSA-N 1 0 274.364 2.382 10 0 CEAERO [NH3+][C@@H](C1CC1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000091690961 180227554 /nfs/dbraw/zinc/22/75/54/180227554.db2.gz ILBAKXFMZDVKEE-CABCVRRESA-N 1 0 274.364 2.382 10 0 CEAERO CC(C)(C)OC(=O)N1CCC([NH2+]Cc2ncco2)CC1 ZINC000091692072 180228394 /nfs/dbraw/zinc/22/83/94/180228394.db2.gz VKZBNLYJFNCQDO-UHFFFAOYSA-N 1 0 281.356 2.164 10 0 CEAERO CC[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1ccccc1F ZINC000624238816 350241952 /nfs/dbraw/zinc/24/19/52/350241952.db2.gz ZEVXHRXTQGPGML-IHRRRGAJSA-N 1 0 253.317 2.016 10 0 CEAERO C[NH2+][C@H](c1ccc(C(F)(F)F)cc1)[C@H]1CN(C)CCO1 ZINC000091717474 180232536 /nfs/dbraw/zinc/23/25/36/180232536.db2.gz PXYGTROPFTVAAS-CHWSQXEVSA-N 1 0 288.313 2.297 10 0 CEAERO CN1CCO[C@@H]([C@@H]([NH3+])c2ccc(C(C)(C)C)cc2)C1 ZINC000091717070 180232914 /nfs/dbraw/zinc/23/29/14/180232914.db2.gz SPSDJVYGSVJFIM-CABCVRRESA-N 1 0 262.397 2.315 10 0 CEAERO CC[NH2+][C@@H](CCCc1ccccc1)[C@@H]1CN(C)CCO1 ZINC000091718882 180233126 /nfs/dbraw/zinc/23/31/26/180233126.db2.gz STHKKDUQCWEAQN-IRXDYDNUSA-N 1 0 276.424 2.318 10 0 CEAERO CC[NH2+][C@H](Cc1ccc(CC)s1)[C@H]1CN(C)CCO1 ZINC000091718765 180233241 /nfs/dbraw/zinc/23/32/41/180233241.db2.gz QCYCAZXHPCKGHK-HUUCEWRRSA-N 1 0 282.453 2.162 10 0 CEAERO CC[NH2+][C@@H](c1cc(C)ccc1F)[C@H]1CN(C)CCO1 ZINC000091718720 180233501 /nfs/dbraw/zinc/23/35/01/180233501.db2.gz GEEYMPAQNNUQQB-CABCVRRESA-N 1 0 266.360 2.115 10 0 CEAERO CC[NH2+][C@@H](c1cc(C)ccc1C)[C@@H]1CN(C)CCO1 ZINC000091718694 180233617 /nfs/dbraw/zinc/23/36/17/180233617.db2.gz ZWIAPBSGOQYRTD-HOTGVXAUSA-N 1 0 262.397 2.285 10 0 CEAERO CCC[NH2+][C@H](Cc1cccc(F)c1F)[C@@H]1CN(C)CCO1 ZINC000091718979 180233733 /nfs/dbraw/zinc/23/37/33/180233733.db2.gz GGLITWFWVWCVBW-CABCVRRESA-N 1 0 298.377 2.206 10 0 CEAERO CCC[NH2+][C@@H](C1CCCCC1)[C@H]1CN(C)CCO1 ZINC000091719200 180234213 /nfs/dbraw/zinc/23/42/13/180234213.db2.gz SITXKEUGRGRUGK-CABCVRRESA-N 1 0 254.418 2.266 10 0 CEAERO CCC[NH2+][C@H](CCc1cccs1)[C@H]1CN(C)CCO1 ZINC000091719145 180234309 /nfs/dbraw/zinc/23/43/09/180234309.db2.gz JJPOGGCYVNXDEY-HUUCEWRRSA-N 1 0 282.453 2.380 10 0 CEAERO CC[NH2+][C@H](Cc1ccn(C(CC)CC)n1)CN(C)C ZINC000091719745 180234466 /nfs/dbraw/zinc/23/44/66/180234466.db2.gz DQLXKHRNZHJMQD-CQSZACIVSA-N 1 0 266.433 2.326 10 0 CEAERO CCC[NH2+][C@H](c1cccc(OC)c1)[C@@H]1CN(C)CCO1 ZINC000091719043 180234490 /nfs/dbraw/zinc/23/44/90/180234490.db2.gz AEPSWFDWUPSTAK-JKSUJKDBSA-N 1 0 278.396 2.067 10 0 CEAERO Cc1ccc([C@H]([NH3+])[C@@H]2CN3CCC[C@@H]3CO2)c(C)c1 ZINC000091720174 180236022 /nfs/dbraw/zinc/23/60/22/180236022.db2.gz KMLFCJWRNVPJEJ-KBMXLJTQSA-N 1 0 260.381 2.166 10 0 CEAERO CSc1ccc([C@H](C)[NH2+][C@H]2CCOC[C@H]2O)cc1 ZINC000624235359 350238372 /nfs/dbraw/zinc/23/83/72/350238372.db2.gz JDVFMDAMWHRVSM-LEWSCRJBSA-N 1 0 267.394 2.209 10 0 CEAERO CCc1ccc([C@H](C)[NH2+][C@H]2CCOC[C@@H]2O)s1 ZINC000624235456 350239133 /nfs/dbraw/zinc/23/91/33/350239133.db2.gz KJGLCQHCDNEXGO-DLOVCJGASA-N 1 0 255.383 2.111 10 0 CEAERO CC[NH2+][C@H](c1cccc(OC)c1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721629 180238378 /nfs/dbraw/zinc/23/83/78/180238378.db2.gz KEUHRONNHDPIKV-HYVNUMGLSA-N 1 0 290.407 2.209 10 0 CEAERO CC[NH2+][C@H](Cc1cccc(F)c1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721759 180238775 /nfs/dbraw/zinc/23/87/75/180238775.db2.gz PYHHFSUVARBOGJ-BRWVUGGUSA-N 1 0 292.398 2.210 10 0 CEAERO O=C(NC[C@H]1CC=CCC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105196088 186045805 /nfs/dbraw/zinc/04/58/05/186045805.db2.gz QJERWEGNYNLCGB-GJZGRUSLSA-N 1 0 277.412 2.222 10 0 CEAERO CCc1ccc([C@@H]([NH2+]C)c2ccc3c(c2)NC(=O)CO3)o1 ZINC000091760397 180247888 /nfs/dbraw/zinc/24/78/88/180247888.db2.gz FHBIDZQUJLLZFH-INIZCTEOSA-N 1 0 286.331 2.482 10 0 CEAERO CCc1ccc(C(=O)N[C@@H]2CCCCC[C@H]2[NH3+])o1 ZINC000091762647 180248131 /nfs/dbraw/zinc/24/81/31/180248131.db2.gz GXQBWZVPKUDXAE-VXGBXAGGSA-N 1 0 250.342 2.232 10 0 CEAERO CC[NH2+][C@@H](C)c1cccn1CC(=O)NCc1ccccc1 ZINC000091801407 180259442 /nfs/dbraw/zinc/25/94/42/180259442.db2.gz HXKONIWLWYRBDI-AWEZNQCLSA-N 1 0 285.391 2.475 10 0 CEAERO CC[NH2+][C@@H](C)c1cccn1Cc1ncnn1C(C)C ZINC000091802171 180259451 /nfs/dbraw/zinc/25/94/51/180259451.db2.gz XFYREWUIHHICQL-LBPRGKRZSA-N 1 0 261.373 2.379 10 0 CEAERO C[NH2+][C@@H](C)c1cccn1Cc1cn2ccccc2n1 ZINC000091800982 180258941 /nfs/dbraw/zinc/25/89/41/180258941.db2.gz GHAILAHBWGAVLN-LBPRGKRZSA-N 1 0 254.337 2.465 10 0 CEAERO C[NH2+][C@@H](C)c1cccn1CC(=O)NC1CCCCC1 ZINC000091800449 180259013 /nfs/dbraw/zinc/25/90/13/180259013.db2.gz NKWGCBBEVORZDG-LBPRGKRZSA-N 1 0 263.385 2.217 10 0 CEAERO CC[NH2+][C@H](c1cccc(F)c1F)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721973 180240354 /nfs/dbraw/zinc/24/03/54/180240354.db2.gz GGZDCFDVFSSCGN-DIOULYMOSA-N 1 0 296.361 2.479 10 0 CEAERO CCC[NH2+][C@@H](C)c1cccn1CCCS(=O)(=O)CC ZINC000091803215 180259810 /nfs/dbraw/zinc/25/98/10/180259810.db2.gz LCNQDLOCUQASRG-ZDUSSCGKSA-N 1 0 286.441 2.374 10 0 CEAERO CCC[NH2+][C@H](C)c1cccn1CCCC(=O)N(C)C ZINC000091803205 180259973 /nfs/dbraw/zinc/25/99/73/180259973.db2.gz LBMHHMOTEYCXSZ-CYBMUJFWSA-N 1 0 265.401 2.417 10 0 CEAERO CC[C@H]([NH3+])c1ccn(Cc2nc3ccccc3c(=O)[nH]2)c1 ZINC000091816455 180261460 /nfs/dbraw/zinc/26/14/60/180261460.db2.gz UKQWXJKHUMEEOB-ZDUSSCGKSA-N 1 0 282.347 2.183 10 0 CEAERO CC[C@H]([NH2+]C)c1ccn(Cc2ncnn2CC(C)C)c1 ZINC000091816763 180262897 /nfs/dbraw/zinc/26/28/97/180262897.db2.gz VVQXRMBXBKLBDA-AWEZNQCLSA-N 1 0 275.400 2.454 10 0 CEAERO CC[NH2+][C@@H](CC)c1ccn(CC(=O)N(C)CC)c1 ZINC000091817377 180263099 /nfs/dbraw/zinc/26/30/99/180263099.db2.gz QUPVUDZJIQSEHI-ZDUSSCGKSA-N 1 0 251.374 2.027 10 0 CEAERO CCC[C@@H](C)NC(=O)Cn1ccc([C@H](CC)[NH2+]C)c1 ZINC000091816977 180263134 /nfs/dbraw/zinc/26/31/34/180263134.db2.gz SKEORQBPUNHHRW-OCCSQVGLSA-N 1 0 265.401 2.463 10 0 CEAERO CCC[C@@H]([NH2+]C)c1ccn(CCC(=O)N(C)C)c1 ZINC000091821800 180263827 /nfs/dbraw/zinc/26/38/27/180263827.db2.gz KIUIHDACXLSGQJ-CYBMUJFWSA-N 1 0 251.374 2.027 10 0 CEAERO CCC[C@H]([NH2+]C)c1ccn(CCCC(=O)NC)c1 ZINC000091821843 180264128 /nfs/dbraw/zinc/26/41/28/180264128.db2.gz WNCHRUXFGJCNGN-ZDUSSCGKSA-N 1 0 251.374 2.075 10 0 CEAERO CC(C)[C@H](O)c1ccn(C[C@H]2C[N@@H+](C(C)C)CCO2)c1 ZINC000091825370 180264440 /nfs/dbraw/zinc/26/44/40/180264440.db2.gz IOGUZFIWDOIQTB-HOTGVXAUSA-N 1 0 280.412 2.287 10 0 CEAERO CC(C)[C@@H]([NH3+])c1ccn(CC(=O)NC(C)(C)C)c1 ZINC000091826012 180264711 /nfs/dbraw/zinc/26/47/11/180264711.db2.gz OXDJDVCJMQKOET-CYBMUJFWSA-N 1 0 251.374 2.059 10 0 CEAERO C[NH2+][C@H](c1ccn(CCCC(=O)OC)c1)C(C)C ZINC000091826791 180265120 /nfs/dbraw/zinc/26/51/20/180265120.db2.gz GLIYVVBFRFHVGM-AWEZNQCLSA-N 1 0 252.358 2.358 10 0 CEAERO CC[NH2+][C@H](c1ccn(CCC(=O)OC)c1)C(C)C ZINC000091827778 180265224 /nfs/dbraw/zinc/26/52/24/180265224.db2.gz XZGYBGGKJOMIRM-AWEZNQCLSA-N 1 0 252.358 2.358 10 0 CEAERO CCS(=O)(=O)c1ccccc1N(C)C1CCC([NH3+])CC1 ZINC000091849555 180271166 /nfs/dbraw/zinc/27/11/66/180271166.db2.gz LZQBGTGZUMXTBL-UHFFFAOYSA-N 1 0 296.436 2.186 10 0 CEAERO [NH3+]C[C@@]1(C2(O)CCC(=O)CC2)CCCc2ccccc21 ZINC000091924547 180287773 /nfs/dbraw/zinc/28/77/73/180287773.db2.gz QZHGQTAZCZEOLZ-INIZCTEOSA-N 1 0 273.376 2.094 10 0 CEAERO [NH3+]CC1([C@H](O)c2cn3ccccc3n2)CCCCC1 ZINC000091924373 180287806 /nfs/dbraw/zinc/28/78/06/180287806.db2.gz XWNDZUMKVKCNER-CQSZACIVSA-N 1 0 259.353 2.277 10 0 CEAERO COCC[NH2+]Cc1ncoc1-c1cc(OC)cc(OC)c1 ZINC000091959497 180291989 /nfs/dbraw/zinc/29/19/89/180291989.db2.gz LEANMBIQSSBJRV-UHFFFAOYSA-N 1 0 292.335 2.095 10 0 CEAERO CCOc1ccc(-c2ocnc2C[NH2+]CCOC)cc1 ZINC000091959415 180292764 /nfs/dbraw/zinc/29/27/64/180292764.db2.gz PIBDXNVVKYZVIV-UHFFFAOYSA-N 1 0 276.336 2.476 10 0 CEAERO CC[NH2+]C1CCC(N(C)C(=O)N2CCCCC2)CC1 ZINC000091968865 180294608 /nfs/dbraw/zinc/29/46/08/180294608.db2.gz GTXFNYAYWIWGAA-UHFFFAOYSA-N 1 0 267.417 2.445 10 0 CEAERO CCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2C[C@@H]2C)CC1 ZINC000091869713 180276640 /nfs/dbraw/zinc/27/66/40/180276640.db2.gz BDWQTWVNBWBGJD-GFJIZPEISA-N 1 0 252.402 2.412 10 0 CEAERO C[NH2+]C1CCC(N(C)Cc2nc(C(C)(C)C)no2)CC1 ZINC000091872715 180277770 /nfs/dbraw/zinc/27/77/70/180277770.db2.gz PBJUWUKAAMCBBI-UHFFFAOYSA-N 1 0 280.416 2.330 10 0 CEAERO C[NH2+]C1CCC(NC(=O)/C=C/c2ccccc2)CC1 ZINC000091871778 180278194 /nfs/dbraw/zinc/27/81/94/180278194.db2.gz MOPVOFBONURNJN-KPKJPENVSA-N 1 0 258.365 2.347 10 0 CEAERO C[NH2+]C1CCC(N(C)c2cc(Cl)ccc2C(N)=O)CC1 ZINC000091873724 180278607 /nfs/dbraw/zinc/27/86/07/180278607.db2.gz WVIOWGQWTIUSHY-UHFFFAOYSA-N 1 0 295.814 2.406 10 0 CEAERO COCC[C@@](C)(O)[C@@]1(C[NH3+])CCCc2ccccc21 ZINC000091906712 180283768 /nfs/dbraw/zinc/28/37/68/180283768.db2.gz WKSHKNMKDXEJBO-HZPDHXFCSA-N 1 0 263.381 2.007 10 0 CEAERO [NH3+]CC1([C@]2(O)CCCCc3ccccc32)CCOCC1 ZINC000091905261 180284012 /nfs/dbraw/zinc/28/40/12/180284012.db2.gz AWYFRQLZJMEXRH-KRWDZBQOSA-N 1 0 275.392 2.356 10 0 CEAERO CCCOc1cccc([C@@H](O)C2(C[NH3+])CCOCC2)c1 ZINC000091908834 180284662 /nfs/dbraw/zinc/28/46/62/180284662.db2.gz FHXMEPNOPVUTAD-OAHLLOKOSA-N 1 0 279.380 2.264 10 0 CEAERO CCC(CC)[C@@H](O)[C@@]1(C[NH3+])COc2ccccc2C1 ZINC000091911272 180285154 /nfs/dbraw/zinc/28/51/54/180285154.db2.gz ZDQWQJZNZCLHJB-CVEARBPZSA-N 1 0 263.381 2.364 10 0 CEAERO CC[C@@](C)(C[NH3+])[C@@H](O)c1cc(OC)cc(OC)c1 ZINC000091911707 180285186 /nfs/dbraw/zinc/28/51/86/180285186.db2.gz HUYFRZRMRIQJLW-KBPBESRZSA-N 1 0 253.342 2.112 10 0 CEAERO [NH3+]C[C@]1([C@@H](O)c2ccc(F)cc2)COc2ccccc2C1 ZINC000091910397 180285288 /nfs/dbraw/zinc/28/52/88/180285288.db2.gz PEYPYUQPBQISSQ-IRXDYDNUSA-N 1 0 287.334 2.439 10 0 CEAERO CC[C@@](C)(C[NH3+])[C@@H](O)c1ccc2c(c1)OCCCO2 ZINC000091912465 180285354 /nfs/dbraw/zinc/28/53/54/180285354.db2.gz BZYMNZBTCUQEMH-GJZGRUSLSA-N 1 0 265.353 2.256 10 0 CEAERO CC[C@@H]1CCC[N@H+](Cc2c(C)nn(C)c2OC)C1 ZINC000091919432 180286565 /nfs/dbraw/zinc/28/65/65/180286565.db2.gz HEZHHDBPSJUFQF-GFCCVEGCSA-N 1 0 251.374 2.359 10 0 CEAERO CC[C@](O)(C1CC1)[C@]1(C[NH3+])CCOc2ccccc21 ZINC000091921761 180286674 /nfs/dbraw/zinc/28/66/74/180286674.db2.gz YWUMBRMXFXJUPH-HOTGVXAUSA-N 1 0 261.365 2.217 10 0 CEAERO [NH3+]CC1(C2(O)CCC3(CC2)OCCO3)CCCCCC1 ZINC000091924472 180287380 /nfs/dbraw/zinc/28/73/80/180287380.db2.gz NYXMWLJFEIHSFE-UHFFFAOYSA-N 1 0 283.412 2.334 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@@H](C)C2CCCCC2)C1 ZINC000092052639 180312742 /nfs/dbraw/zinc/31/27/42/180312742.db2.gz TXPRUDMVHMKTCW-ZFWWWQNUSA-N 1 0 254.418 2.266 10 0 CEAERO CCN1CCO[C@H](COc2ccc(Cl)cc2[C@H](C)[NH3+])C1 ZINC000092051307 180312785 /nfs/dbraw/zinc/31/27/85/180312785.db2.gz NVRYZSAIBLBKOQ-AAEUAGOBSA-N 1 0 298.814 2.459 10 0 CEAERO CC[C@H]([NH2+]C)c1ccccc1OC[C@@H]1CN(C)CCO1 ZINC000092054142 180312987 /nfs/dbraw/zinc/31/29/87/180312987.db2.gz KPAVYRZLQPJUQG-ZFWWWQNUSA-N 1 0 278.396 2.067 10 0 CEAERO CC[C@@H]([NH2+]C)c1ccccc1OC[C@@H]1CN(C)CCO1 ZINC000092054145 180313050 /nfs/dbraw/zinc/31/30/50/180313050.db2.gz KPAVYRZLQPJUQG-DZGCQCFKSA-N 1 0 278.396 2.067 10 0 CEAERO CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CN(CC)CCO2)[C@@H]1C ZINC000092052921 180313202 /nfs/dbraw/zinc/31/32/02/180313202.db2.gz MJTFOSSLWMULCG-TUVASFSCSA-N 1 0 254.418 2.121 10 0 CEAERO C[C@@H]([NH3+])c1cc(Cl)ccc1OC[C@H]1CN(C)CCO1 ZINC000092054407 180314366 /nfs/dbraw/zinc/31/43/66/180314366.db2.gz IUROUQMIUBUNEH-ZYHUDNBSSA-N 1 0 284.787 2.069 10 0 CEAERO O=C(N1CCC[C@@H]1[C@@H]1CCC[NH2+]1)N1CCCCCC1 ZINC000091971585 180295752 /nfs/dbraw/zinc/29/57/52/180295752.db2.gz MBMRPIISAXBJBL-UONOGXRCSA-N 1 0 265.401 2.199 10 0 CEAERO C[C@H]1CCCN(C(=O)NCc2cccc(C[NH3+])c2)C1 ZINC000091972680 180295923 /nfs/dbraw/zinc/29/59/23/180295923.db2.gz PMVBCTALGLBZNS-LBPRGKRZSA-N 1 0 261.369 2.087 10 0 CEAERO CCN(C(=O)N1CCC(C)CC1)[C@H]1CCC[C@H]1C[NH3+] ZINC000091991523 180299834 /nfs/dbraw/zinc/29/98/34/180299834.db2.gz VMTRJUFAPXECGC-KBPBESRZSA-N 1 0 267.417 2.288 10 0 CEAERO CC1CCN(C(=O)NC[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000091993221 180300424 /nfs/dbraw/zinc/30/04/24/180300424.db2.gz LQVQWINPUXLLPY-ZIAGYGMSSA-N 1 0 267.417 2.193 10 0 CEAERO Cc1ccc(OCc2nccn2C(F)F)c(C[NH3+])n1 ZINC000091993590 180300803 /nfs/dbraw/zinc/30/08/03/180300803.db2.gz LHKVVKFNDJCPAU-UHFFFAOYSA-N 1 0 268.267 2.019 10 0 CEAERO CC[NH2+]Cc1nc(C)ccc1O[C@H](CC)C(=O)OCC ZINC000091994973 180301485 /nfs/dbraw/zinc/30/14/85/180301485.db2.gz VRBCCODJOKRZPM-CYBMUJFWSA-N 1 0 280.368 2.220 10 0 CEAERO CCCCOCCOc1ccc(C)nc1C[NH2+]CCOC ZINC000091996702 180301712 /nfs/dbraw/zinc/30/17/12/180301712.db2.gz NULDZNXSKDDTOX-UHFFFAOYSA-N 1 0 296.411 2.322 10 0 CEAERO CCC[NH2+]Cc1nc(C)ccc1OC[C@@H](O)C(F)(F)F ZINC000091995212 180301945 /nfs/dbraw/zinc/30/19/45/180301945.db2.gz HNGDVWHAOQJZRZ-GFCCVEGCSA-N 1 0 292.301 2.192 10 0 CEAERO CCOC(=O)[C@@H](C)Oc1ccc(C)nc1C[NH2+]CC(C)C ZINC000091996418 180302263 /nfs/dbraw/zinc/30/22/63/180302263.db2.gz AUBUSOZEHAYCKH-CYBMUJFWSA-N 1 0 294.395 2.466 10 0 CEAERO Cc1ccc(O[C@H]2CCCC[C@H]2O)c(C[NH2+]C2CC2)n1 ZINC000091995850 180302403 /nfs/dbraw/zinc/30/24/03/180302403.db2.gz SYCTXHUBUAGAPK-ZBFHGGJFSA-N 1 0 276.380 2.324 10 0 CEAERO Cc1ccc(OC[C@H]2Cc3ccccc3O2)c(CC[NH3+])n1 ZINC000091999782 180303576 /nfs/dbraw/zinc/30/35/76/180303576.db2.gz NJENGTUUFNDXTE-CQSZACIVSA-N 1 0 284.359 2.274 10 0 CEAERO CCOCCCOc1ccc(C)nc1C[C@@H](C)[NH3+] ZINC000091999828 180303590 /nfs/dbraw/zinc/30/35/90/180303590.db2.gz FBDMBYSJRUKVMS-LLVKDONJSA-N 1 0 252.358 2.085 10 0 CEAERO Cc1ccc(OCc2cccnc2)c(C[C@@H](C)[NH3+])n1 ZINC000091999836 180303771 /nfs/dbraw/zinc/30/37/71/180303771.db2.gz RDLKUZPITGHNAF-LLVKDONJSA-N 1 0 257.337 2.254 10 0 CEAERO CCC[C@@H](C)N(C)S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092115708 180327061 /nfs/dbraw/zinc/32/70/61/180327061.db2.gz XGFJHXPQQBHDBF-SNVBAGLBSA-N 1 0 288.388 2.094 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000092133527 180330951 /nfs/dbraw/zinc/33/09/51/180330951.db2.gz PRHDFSKFFNAGII-WFASDCNBSA-N 1 0 272.348 2.341 10 0 CEAERO CCN(Cc1ccc(OC)c(F)c1)C(=O)[C@H](C)C[NH2+]C ZINC000092134164 180332010 /nfs/dbraw/zinc/33/20/10/180332010.db2.gz MUIYRYUXPJSNRO-LLVKDONJSA-N 1 0 282.359 2.038 10 0 CEAERO CCN(Cc1ccc(OC)c(F)c1)C(=O)[C@@H](C)C[NH2+]C ZINC000092134163 180332213 /nfs/dbraw/zinc/33/22/13/180332213.db2.gz MUIYRYUXPJSNRO-NSHDSACASA-N 1 0 282.359 2.038 10 0 CEAERO COC(C)(C)c1noc([C@]2([NH3+])CCC[C@@H](C)C2)n1 ZINC000092137775 180333606 /nfs/dbraw/zinc/33/36/06/180333606.db2.gz GXPQHTYVPQTJSV-RNCFNFMXSA-N 1 0 253.346 2.315 10 0 CEAERO CCCN[C@](C)(C[C@@H](C)[N@@H+]1C[C@H](C)[C@H](C)C1)C(=O)OC ZINC000092087609 180321626 /nfs/dbraw/zinc/32/16/26/180321626.db2.gz RKIFJTIUPSKZFY-HLPPOEQASA-N 1 0 284.444 2.284 10 0 CEAERO C[C@H]1CN(c2ncc(C[NH2+]C3CC3)s2)C[C@@H]1C ZINC000092089672 180321729 /nfs/dbraw/zinc/32/17/29/180321729.db2.gz MSENHKCNDFNZQO-UWVGGRQHSA-N 1 0 251.399 2.487 10 0 CEAERO C[NH2+]C1(CC(=O)N2C[C@H](C)[C@@H](C)C2)CCCCC1 ZINC000092090569 180322282 /nfs/dbraw/zinc/32/22/82/180322282.db2.gz LRLWWTHHAUFPEN-STQMWFEESA-N 1 0 252.402 2.413 10 0 CEAERO CCCc1ccc([C@@H]([NH3+])CN2C(=O)[C@H](C)[C@H](C)C2=O)cc1 ZINC000092094285 180322789 /nfs/dbraw/zinc/32/27/89/180322789.db2.gz TUYSXNQCNBOBIU-ZOWXZIJZSA-N 1 0 288.391 2.280 10 0 CEAERO Cc1cc(C)c([C@@H]([NH3+])CN2C(=O)[C@H](C)[C@H](C)C2=O)c(C)c1 ZINC000092094311 180323090 /nfs/dbraw/zinc/32/30/90/180323090.db2.gz MNMUCDQYGFBCJD-MJBXVCDLSA-N 1 0 288.391 2.253 10 0 CEAERO CCN(Cc1ccccc1C)C(=O)[C@H]1C=C[C@H]([NH3+])C1 ZINC000092202080 180342797 /nfs/dbraw/zinc/34/27/97/180342797.db2.gz JGBQPTJAEKBGEY-ZFWWWQNUSA-N 1 0 258.365 2.247 10 0 CEAERO COc1ccc(Cl)cc1NC(=O)[C@@H]1C=C[C@H]([NH3+])C1 ZINC000092201402 180342941 /nfs/dbraw/zinc/34/29/41/180342941.db2.gz SKLXCNRAJGKKFR-SCZZXKLOSA-N 1 0 266.728 2.191 10 0 CEAERO CCN(CC)c1ccc(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)cc1 ZINC000092202583 180343553 /nfs/dbraw/zinc/34/35/53/180343553.db2.gz XHQWBOWSJZYSOQ-OLZOCXBDSA-N 1 0 273.380 2.375 10 0 CEAERO CCN(Cc1cccc(F)c1)C(=O)[C@@H]1C=C[C@H]([NH3+])C1 ZINC000092204560 180343701 /nfs/dbraw/zinc/34/37/01/180343701.db2.gz GDYGHQPQJKLSTK-OCCSQVGLSA-N 1 0 262.328 2.078 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)Nc2cccc(N3CCCC3)c2)C1 ZINC000092204142 180343707 /nfs/dbraw/zinc/34/37/07/180343707.db2.gz QGMLKJXNPQMADN-OLZOCXBDSA-N 1 0 271.364 2.129 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)Nc2ccc(OC(F)F)c(F)c2)C1 ZINC000092204163 180343781 /nfs/dbraw/zinc/34/37/81/180343781.db2.gz KFOKPICWYDYQRP-JGVFFNPUSA-N 1 0 286.253 2.269 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)N2CC=C(c3ccccc3)CC2)C1 ZINC000092204771 180343860 /nfs/dbraw/zinc/34/38/60/180343860.db2.gz ABXCQYMRODYAHH-HOTGVXAUSA-N 1 0 268.360 2.206 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)N(CC2CCCCC2)C2CC2)C1 ZINC000092205332 180344210 /nfs/dbraw/zinc/34/42/10/180344210.db2.gz CTLWGEAUCFOHLX-ZIAGYGMSSA-N 1 0 262.397 2.461 10 0 CEAERO CCC(CC)N(CC(F)(F)F)C(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092205183 180344264 /nfs/dbraw/zinc/34/42/64/180344264.db2.gz TULNGQILKDVULY-VHSXEESVSA-N 1 0 278.318 2.469 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)Nc2ccc(Br)c(F)c2)C1 ZINC000092208357 180344941 /nfs/dbraw/zinc/34/49/41/180344941.db2.gz UGDSSCNPJXVYHN-YUMQZZPRSA-N 1 0 299.143 2.430 10 0 CEAERO CCN(C(=O)[C@@H]1Cc2ccccc2S1)[C@@H]1CCC[NH2+]C1 ZINC000092232137 180348424 /nfs/dbraw/zinc/34/84/24/180348424.db2.gz BSPAITFZCXIKAU-HIFRSBDPSA-N 1 0 290.432 2.304 10 0 CEAERO CCN(C(=O)[C@H]1Cc2ccccc2S1)[C@H]1CCC[NH2+]C1 ZINC000092232140 180348526 /nfs/dbraw/zinc/34/85/26/180348526.db2.gz BSPAITFZCXIKAU-DZGCQCFKSA-N 1 0 290.432 2.304 10 0 CEAERO CSc1ccc(C(=O)N[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000092232001 180348714 /nfs/dbraw/zinc/34/87/14/180348714.db2.gz NVGPOEYNEDYKKK-NEPJUHHUSA-N 1 0 250.367 2.018 10 0 CEAERO C[C@@H]([NH3+])Cc1noc([C@H]2Cc3ccccc3S2)n1 ZINC000092234155 180348997 /nfs/dbraw/zinc/34/89/97/180348997.db2.gz QELPCFWTRFDUFT-LDYMZIIASA-N 1 0 261.350 2.349 10 0 CEAERO Cn1ccnc1CC[NH2+]C[C@H]1Cc2ccccc2S1 ZINC000092243739 180351333 /nfs/dbraw/zinc/35/13/33/180351333.db2.gz MFQZWQJLGYTTCT-CYBMUJFWSA-N 1 0 273.405 2.269 10 0 CEAERO CCOC(=O)CC[NH2+]C[C@H]1Cc2ccccc2S1 ZINC000092243779 180351830 /nfs/dbraw/zinc/35/18/30/180351830.db2.gz TWDMNWZIOSHSDR-GFCCVEGCSA-N 1 0 265.378 2.246 10 0 CEAERO c1ccc2c(c1)C[C@@H](C[NH2+]CCN1CCCC1)S2 ZINC000092244064 180352430 /nfs/dbraw/zinc/35/24/30/180352430.db2.gz WOYCOGUXRHAWBI-AWEZNQCLSA-N 1 0 262.422 2.389 10 0 CEAERO CC1(C)C[NH2+]CCN1C[C@H]1Cc2ccccc2S1 ZINC000092263325 180354996 /nfs/dbraw/zinc/35/49/96/180354996.db2.gz JALFUQAOWXMHKL-CYBMUJFWSA-N 1 0 262.422 2.387 10 0 CEAERO [NH3+]C[C@@H](CCSc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000092270406 180355755 /nfs/dbraw/zinc/35/57/55/180355755.db2.gz GJXPCDNXYQEKJE-OLZOCXBDSA-N 1 0 299.461 2.178 10 0 CEAERO CC[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccccc1 ZINC000105872415 186081111 /nfs/dbraw/zinc/08/11/11/186081111.db2.gz DKXYIHDWPLYKDV-KBPBESRZSA-N 1 0 256.353 2.334 10 0 CEAERO Cc1ncc(C[NH3+])n1C[C@@H]1Cc2ccccc2S1 ZINC000092271962 180356570 /nfs/dbraw/zinc/35/65/70/180356570.db2.gz PHDZAPDUMNTGSJ-ZDUSSCGKSA-N 1 0 259.378 2.367 10 0 CEAERO C[C@H]1CC[NH2+]CCN1C[C@@H]1Cc2ccccc2S1 ZINC000092273139 180356638 /nfs/dbraw/zinc/35/66/38/180356638.db2.gz IZSROBPADCLCDZ-JSGCOSHPSA-N 1 0 262.422 2.387 10 0 CEAERO COc1ccccc1OCC[NH2+]C[C@H]1CCCCO1 ZINC000105876372 186082486 /nfs/dbraw/zinc/08/24/86/186082486.db2.gz FIORSWMKGVTQFU-CYBMUJFWSA-N 1 0 265.353 2.233 10 0 CEAERO CCn1c(C[NH3+])nnc1SC[C@@H]1COc2ccccc21 ZINC000092302479 180359580 /nfs/dbraw/zinc/35/95/80/180359580.db2.gz YYQMSNNDKDPABH-JTQLQIEISA-N 1 0 290.392 2.025 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](c2nc([C@@H]3COc4ccccc4C3)no2)C1 ZINC000092182132 180339060 /nfs/dbraw/zinc/33/90/60/180339060.db2.gz LDUGJSZINXAZQT-RWMBFGLXSA-N 1 0 283.331 2.159 10 0 CEAERO COCC[N@@H+]1CCN(Cc2csc(C(C)C)n2)C[C@H]1C ZINC000105833771 186076566 /nfs/dbraw/zinc/07/65/66/186076566.db2.gz RGFCAGIOOAOBMO-CYBMUJFWSA-N 1 0 297.468 2.419 10 0 CEAERO CCc1nc(-c2cccnc2)nc(CC)c1CC[NH3+] ZINC000092308288 180361279 /nfs/dbraw/zinc/36/12/79/180361279.db2.gz RQNPPXWJARTZEK-UHFFFAOYSA-N 1 0 256.353 2.165 10 0 CEAERO CCOC(=O)CCC[N@@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000105901728 186087960 /nfs/dbraw/zinc/08/79/60/186087960.db2.gz BFJLAFQTWZPOLM-AWEZNQCLSA-N 1 0 279.384 2.172 10 0 CEAERO CCOC(=O)CC[N@@H+]1CCC[C@H](n2ccnc2CC)C1 ZINC000105922634 186090459 /nfs/dbraw/zinc/09/04/59/186090459.db2.gz OQIGOSYRNIXKIB-ZDUSSCGKSA-N 1 0 279.384 2.036 10 0 CEAERO CCc1nc(N(C)C)nc(CC)c1CC[NH2+]C(C)C ZINC000092318805 180361768 /nfs/dbraw/zinc/36/17/68/180361768.db2.gz NJPLOUBNJPABHU-UHFFFAOYSA-N 1 0 264.417 2.208 10 0 CEAERO C[C@H](c1cc(F)ccc1F)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105924248 186091214 /nfs/dbraw/zinc/09/12/14/186091214.db2.gz FTHQZZSUGYBBLQ-DGCLKSJQSA-N 1 0 284.350 2.288 10 0 CEAERO Cc1noc(C)c1CNC(=O)[C@@H](C)CCC[C@H](C)[NH3+] ZINC000092330608 180363584 /nfs/dbraw/zinc/36/35/84/180363584.db2.gz XLAWGPYCRQVWTF-UWVGGRQHSA-N 1 0 267.373 2.061 10 0 CEAERO Cc1noc(C)c1[C@H](C)NC(=O)C(C)(C)C(C)(C)[NH3+] ZINC000092329870 180363814 /nfs/dbraw/zinc/36/38/14/180363814.db2.gz JQMRBMBZMMCSGW-QMMMGPOBSA-N 1 0 267.373 2.232 10 0 CEAERO Cc1nn(C)c(C)c1Cn1c(N)[nH+]c2ccc(F)c(F)c21 ZINC000092341053 180365851 /nfs/dbraw/zinc/36/58/51/180365851.db2.gz VJZBKBSOZRYKLR-UHFFFAOYSA-N 1 0 291.305 2.295 10 0 CEAERO CCC[NH2+][C@H]1CCCN([C@H](C)c2c(C)noc2C)C1=O ZINC000092342008 180366023 /nfs/dbraw/zinc/36/60/23/180366023.db2.gz JMMXBQKQIVMLCD-YPMHNXCESA-N 1 0 279.384 2.343 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1Cc1c(C)noc1C ZINC000092342736 180366409 /nfs/dbraw/zinc/36/64/09/180366409.db2.gz UFIQDDCURPIYSM-UKRRQHHQSA-N 1 0 265.401 2.500 10 0 CEAERO CCOC(=O)[C@@H](C[NH3+])Cc1cc(C)nc2ccccc12 ZINC000092344550 180366573 /nfs/dbraw/zinc/36/65/73/180366573.db2.gz VNMANUQHFOMGNV-CYBMUJFWSA-N 1 0 272.348 2.224 10 0 CEAERO NC(=S)[C@@H]1CCC[N@@H+]1Cc1ccnc2ccccc12 ZINC000092347826 180367621 /nfs/dbraw/zinc/36/76/21/180367621.db2.gz GHNXTPPOYYEEMT-AWEZNQCLSA-N 1 0 271.389 2.485 10 0 CEAERO Cc1cc(NC(=O)Nc2cccc(C[NH3+])c2)ccn1 ZINC000092365428 180369290 /nfs/dbraw/zinc/36/92/90/180369290.db2.gz QIIBGISTXRMYBJ-UHFFFAOYSA-N 1 0 256.309 2.493 10 0 CEAERO CCCNc1cccc(C[N@H+](CCOC)[C@@H](C)COC)n1 ZINC000092369605 180369970 /nfs/dbraw/zinc/36/99/70/180369970.db2.gz YNWCRWQYIRIRCJ-AWEZNQCLSA-N 1 0 295.427 2.387 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@H]([S@](=O)C(C)C)CC2 ZINC000092388970 180375425 /nfs/dbraw/zinc/37/54/25/180375425.db2.gz IBJUZGKPIHROMN-GLJUWKHASA-N 1 0 267.394 2.167 10 0 CEAERO C[NH2+][C@@]1(CC(=O)OC)CCCc2ccc(OC)cc21 ZINC000092390503 180375715 /nfs/dbraw/zinc/37/57/15/180375715.db2.gz GIWBQJQVLBCPDA-OAHLLOKOSA-N 1 0 263.337 2.009 10 0 CEAERO CCNc1cc[nH+]c(CN2CCO[C@H]3CCC[C@@H]32)c1 ZINC000092418398 180381550 /nfs/dbraw/zinc/38/15/50/180381550.db2.gz CXJLVPZEUKXTSZ-GJZGRUSLSA-N 1 0 261.369 2.267 10 0 CEAERO Cc1[nH+]c(-c2cnn(C)c2)c(N)n1Cc1ccccc1 ZINC000106832743 186138186 /nfs/dbraw/zinc/13/81/86/186138186.db2.gz KQLFAMAQGWONIB-UHFFFAOYSA-N 1 0 267.336 2.223 10 0 CEAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@@H](n1cc(C)cn1)CC2 ZINC000092386112 180373886 /nfs/dbraw/zinc/37/38/86/180373886.db2.gz PSHXFHYYYSUBAG-LSDHHAIUSA-N 1 0 257.337 2.387 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@H](N(C)C[C@@H]1CCCO1)CC2 ZINC000092385719 180374031 /nfs/dbraw/zinc/37/40/31/180374031.db2.gz MYGXBGKNRYHLJN-UAGQMJEPSA-N 1 0 290.407 2.121 10 0 CEAERO Cc1cccc(CN2C[C@H](C)[NH2+]C[C@@]2(C)C2CC2)n1 ZINC000092433193 180384532 /nfs/dbraw/zinc/38/45/32/180384532.db2.gz YMYHRJXITIFGDL-BBRMVZONSA-N 1 0 259.397 2.352 10 0 CEAERO CCOCC[N@H+](CC)C[C@](C)(O)c1ccccc1 ZINC000107062174 186157913 /nfs/dbraw/zinc/15/79/13/186157913.db2.gz HAKSPLUNOOHTLL-HNNXBMFYSA-N 1 0 251.370 2.253 10 0 CEAERO COc1cccc([C@@H](O)C[N@H+](C)C[C@@H]2CCCOC2)c1 ZINC000107065161 186158901 /nfs/dbraw/zinc/15/89/01/186158901.db2.gz IYHZLSSKYKXWIY-BBRMVZONSA-N 1 0 279.380 2.087 10 0 CEAERO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)[C@@H]1CCOc2ccccc21 ZINC000107225592 186163514 /nfs/dbraw/zinc/16/35/14/186163514.db2.gz JHBYTHXNZCASHH-BPLDGKMQSA-N 1 0 288.391 2.281 10 0 CEAERO CC(C)(C)[NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000107799896 186191018 /nfs/dbraw/zinc/19/10/18/186191018.db2.gz MFJAHQTUTBIKQW-VIFPVBQESA-N 1 0 266.307 2.175 10 0 CEAERO COc1ccc(OC)c(-c2cn3c(n2)[C@H](C)C[C@H]([NH3+])C3)c1 ZINC000107827770 186194160 /nfs/dbraw/zinc/19/41/60/186194160.db2.gz BSZZPJMMIAFKIA-MNOVXSKESA-N 1 0 287.363 2.402 10 0 CEAERO CC[NH2+][C@@H](C)[C@H](CC)c1nc(-c2ncccn2)no1 ZINC000109505421 186257376 /nfs/dbraw/zinc/25/73/76/186257376.db2.gz BICAGNXHQUKRCF-UWVGGRQHSA-N 1 0 261.329 2.018 10 0 CEAERO C[NH2+][C@H]1CCCCC[C@H]1c1nc(-c2ncccn2)no1 ZINC000109505345 186257515 /nfs/dbraw/zinc/25/75/15/186257515.db2.gz MHOCRAJMFZDPIG-MNOVXSKESA-N 1 0 273.340 2.162 10 0 CEAERO CCOc1cccc(-c2noc(C[C@@H]([NH3+])CC)n2)c1 ZINC000109502808 186257584 /nfs/dbraw/zinc/25/75/84/186257584.db2.gz IOGMTOJWSBEZPH-NSHDSACASA-N 1 0 261.325 2.415 10 0 CEAERO COC[C@@H]([NH3+])Cc1nc([C@@H]2CCCc3ccccc32)no1 ZINC000109514930 186258294 /nfs/dbraw/zinc/25/82/94/186258294.db2.gz YCFAKEJFIKQIGK-GXTWGEPZSA-N 1 0 287.363 2.054 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1c1nc(Cc2cccnc2)no1 ZINC000109510584 186258416 /nfs/dbraw/zinc/25/84/16/186258416.db2.gz YPQUQKZMRXTWPS-VXGBXAGGSA-N 1 0 258.325 2.040 10 0 CEAERO C[NH2+][C@@H]1CCCC[C@H]1c1nc(Cc2ccncc2)no1 ZINC000109509139 186258499 /nfs/dbraw/zinc/25/84/99/186258499.db2.gz LBFPYKBEFJXFHM-CHWSQXEVSA-N 1 0 272.352 2.301 10 0 CEAERO C[NH2+][C@@H](C)[C@@H](C)c1nc(Cc2ccccc2OC)no1 ZINC000109513443 186258622 /nfs/dbraw/zinc/25/86/22/186258622.db2.gz OEIVLUDANZRCDX-MNOVXSKESA-N 1 0 275.352 2.380 10 0 CEAERO CC[NH2+][C@H](COC)Cc1nc(Cc2ccc(C)cc2)no1 ZINC000109507899 186258639 /nfs/dbraw/zinc/25/86/39/186258639.db2.gz QVUFOHOMIBBXTP-AWEZNQCLSA-N 1 0 289.379 2.136 10 0 CEAERO CC[NH2+][C@@H](C)[C@@H](c1nc(-c2cnccn2)no1)C(C)C ZINC000109507282 186258716 /nfs/dbraw/zinc/25/87/16/186258716.db2.gz YVTCMGZOLBQLSX-JQWIXIFHSA-N 1 0 275.356 2.264 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1c1nc(Cc2ccccc2F)no1 ZINC000109516515 186259508 /nfs/dbraw/zinc/25/95/08/186259508.db2.gz KQRBJMFEBIGJFO-JQWIXIFHSA-N 1 0 261.300 2.394 10 0 CEAERO CCC[NH2+][C@H]1c2ccc(OCCOC(C)C)cc2NC1=O ZINC000109574056 186263821 /nfs/dbraw/zinc/26/38/21/186263821.db2.gz PNOCKNZMGKVHOV-HNNXBMFYSA-N 1 0 292.379 2.483 10 0 CEAERO CCOC(=O)CN(C1CC1)[C@@H]1C[C@@H](CC)CC[C@@H]1C[NH3+] ZINC000109685138 186269168 /nfs/dbraw/zinc/26/91/68/186269168.db2.gz YIRMCKMIXFTIAJ-GZBFAFLISA-N 1 0 282.428 2.168 10 0 CEAERO C[C@@H]1C[C@H]([NH2+]CCc2nncn2C)CC(C)(C)C1 ZINC000109420769 186251255 /nfs/dbraw/zinc/25/12/55/186251255.db2.gz BUPJWGDFVNTZRG-NEPJUHHUSA-N 1 0 250.390 2.162 10 0 CEAERO CCOC1CC[NH+](Cc2c(N)cccc2F)CC1 ZINC000109427327 186251977 /nfs/dbraw/zinc/25/19/77/186251977.db2.gz YXKJLBIDUKCYEK-UHFFFAOYSA-N 1 0 252.333 2.409 10 0 CEAERO C[C@@H](c1noc(C2CCCCC2)n1)N1CC[NH2+]CC1 ZINC000109473955 186254682 /nfs/dbraw/zinc/25/46/82/186254682.db2.gz ODSOSDVHYMRIKI-NSHDSACASA-N 1 0 264.373 2.084 10 0 CEAERO CC(C)(c1noc(-c2ccc(F)cc2)n1)N1CC[NH2+]CC1 ZINC000109475308 186254737 /nfs/dbraw/zinc/25/47/37/186254737.db2.gz PNUWKLCEZOALMB-UHFFFAOYSA-N 1 0 290.342 2.016 10 0 CEAERO CCCCCCN1CC[NH+](C(C)(C)C(N)=S)CC1 ZINC000109471080 186254863 /nfs/dbraw/zinc/25/48/63/186254863.db2.gz RTHXGPXYOGJPJV-UHFFFAOYSA-N 1 0 271.474 2.249 10 0 CEAERO CCC[C@H](c1noc(CC(C)(C)C)n1)N1CC[NH2+]CC1 ZINC000109474947 186255067 /nfs/dbraw/zinc/25/50/67/186255067.db2.gz ORGZKPQWSNHVAE-GFCCVEGCSA-N 1 0 280.416 2.405 10 0 CEAERO CCOC(=O)c1ccoc1CN1CCC([C@@H](C)[NH3+])CC1 ZINC000110650113 186310242 /nfs/dbraw/zinc/31/02/42/186310242.db2.gz UAPTWMJERHZDGY-LLVKDONJSA-N 1 0 280.368 2.016 10 0 CEAERO Cc1nnc(S[C@H](C)C[NH2+]Cc2cccs2)n1C ZINC000110250159 186288484 /nfs/dbraw/zinc/28/84/84/186288484.db2.gz DUIFHFQNDPEGFF-SECBINFHSA-N 1 0 282.438 2.455 10 0 CEAERO Cc1nnc(SCCCC[NH2+]CC(C)C)n1C ZINC000110250224 186288807 /nfs/dbraw/zinc/28/88/07/186288807.db2.gz WMWALFLEKLXULJ-UHFFFAOYSA-N 1 0 256.419 2.241 10 0 CEAERO CC[NH+](CC)[C@H]1CCN(c2ncc([C@@H](C)O)s2)C1 ZINC000110271602 186289262 /nfs/dbraw/zinc/28/92/62/186289262.db2.gz YCTZPHHZRQCTLR-MNOVXSKESA-N 1 0 269.414 2.117 10 0 CEAERO COCC[N@H+](CCC(=O)OC)[C@@H]1CCC[C@@H](C)C1 ZINC000110433828 186295519 /nfs/dbraw/zinc/29/55/19/186295519.db2.gz NYIPJEHPDXDFIT-CHWSQXEVSA-N 1 0 257.374 2.077 10 0 CEAERO CCC[C@@H](Cc1nc(CC(F)(F)F)no1)[NH2+]C ZINC000110444978 186296440 /nfs/dbraw/zinc/29/64/40/186296440.db2.gz YIGUFKBWUIQORF-ZETCQYMHSA-N 1 0 251.252 2.105 10 0 CEAERO CCc1nc(Cc2ccc(OC)cc2)[nH+]c(NN)c1C ZINC000110477532 186298666 /nfs/dbraw/zinc/29/86/66/186298666.db2.gz XDZHVCVRKCXDNT-UHFFFAOYSA-N 1 0 272.352 2.232 10 0 CEAERO CC[NH2+][C@@H](CO[C@H]1CCOC1)c1ccc(OC)cc1 ZINC000110526238 186300703 /nfs/dbraw/zinc/30/07/03/186300703.db2.gz MLAKGJMUJOADMW-GJZGRUSLSA-N 1 0 265.353 2.151 10 0 CEAERO C[NH2+][C@H](C)c1ccc(OC)c(CO[C@@H]2CCOC2)c1 ZINC000110526864 186301022 /nfs/dbraw/zinc/30/10/22/186301022.db2.gz VKVMCOBYNLYQCK-BXUZGUMPSA-N 1 0 265.353 2.281 10 0 CEAERO CC[NH2+]C[C@@H](O[C@H]1CCOC1)c1ccccc1OC ZINC000110530265 186301591 /nfs/dbraw/zinc/30/15/91/186301591.db2.gz NUPQEDSKCGXYEC-SWLSCSKDSA-N 1 0 265.353 2.151 10 0 CEAERO CC[NH2+]C[C@H](O[C@H]1CCOC1)c1ccccc1OC ZINC000110530263 186301776 /nfs/dbraw/zinc/30/17/76/186301776.db2.gz NUPQEDSKCGXYEC-WFASDCNBSA-N 1 0 265.353 2.151 10 0 CEAERO COc1ccc([C@H](C)[NH3+])cc1CO[C@H]1CCOC1 ZINC000110526947 186302202 /nfs/dbraw/zinc/30/22/02/186302202.db2.gz FRDASNCTWBDPBV-GWCFXTLKSA-N 1 0 251.326 2.020 10 0 CEAERO CCN(C(=O)Cc1ccc(C[NH3+])cc1)C1CCCC1 ZINC000110612111 186305137 /nfs/dbraw/zinc/30/51/37/186305137.db2.gz FEYMWUCHAPINFF-UHFFFAOYSA-N 1 0 260.381 2.479 10 0 CEAERO CN(C(=O)Cc1ccc(C[NH3+])cc1)c1cccc(F)c1 ZINC000110613806 186305353 /nfs/dbraw/zinc/30/53/53/186305353.db2.gz BRWXNMHWXJOXOS-UHFFFAOYSA-N 1 0 272.323 2.490 10 0 CEAERO COCc1cccc(NC(=O)Cc2ccc(C[NH3+])cc2)c1 ZINC000110612829 186305411 /nfs/dbraw/zinc/30/54/11/186305411.db2.gz FVAWWGBRAOQPTM-UHFFFAOYSA-N 1 0 284.359 2.473 10 0 CEAERO COc1cc(OCC[C@@H]2CCC[N@@H+]2C)c(N)cc1F ZINC000110631981 186307762 /nfs/dbraw/zinc/30/77/62/186307762.db2.gz DOVUECFWHZFJIL-JTQLQIEISA-N 1 0 268.332 2.280 10 0 CEAERO CCC[C@]1(C(=O)N2CCC[C@@H](C)CC2)CC[NH2+]C1 ZINC000110814537 186326734 /nfs/dbraw/zinc/32/67/34/186326734.db2.gz SSQVYCYEUPKIPZ-HIFRSBDPSA-N 1 0 252.402 2.415 10 0 CEAERO NC[C@@]1([NH2+]C2CC2)CCc2cc(Br)ccc2C1 ZINC000110829462 186327307 /nfs/dbraw/zinc/32/73/07/186327307.db2.gz SMOVYPBXCBVPPL-CQSZACIVSA-N 1 0 295.224 2.387 10 0 CEAERO C[C@@H](NC(=O)C[NH2+]C(C)(C)C)c1ccccc1F ZINC000110838369 186328049 /nfs/dbraw/zinc/32/80/49/186328049.db2.gz ORHRWIGJKQOZDZ-SNVBAGLBSA-N 1 0 252.333 2.391 10 0 CEAERO CC(C)(C)[NH2+]CC(=O)NCc1cc2c(s1)CCC2 ZINC000110840538 186328096 /nfs/dbraw/zinc/32/80/96/186328096.db2.gz OMBASMWPQQZXPW-UHFFFAOYSA-N 1 0 266.410 2.241 10 0 CEAERO CCOC(=O)[C@@](C)(CCC[N@H+](C)CC1CCCC1)NC ZINC000110840989 186329031 /nfs/dbraw/zinc/32/90/31/186329031.db2.gz LFRNIUCJEXTWKR-MRXNPFEDSA-N 1 0 284.444 2.430 10 0 CEAERO CN(CC1CCCC1)S(=O)(=O)Cc1ccccc1C[NH3+] ZINC000110838660 186329108 /nfs/dbraw/zinc/32/91/08/186329108.db2.gz CBNYMBFGXSJBEB-UHFFFAOYSA-N 1 0 296.436 2.097 10 0 CEAERO CN(C(=O)c1cccc2ncccc21)[C@@H]1CCC[NH2+]C1 ZINC000110927238 186333521 /nfs/dbraw/zinc/33/35/21/186333521.db2.gz LVMAMHQJVXYKML-GFCCVEGCSA-N 1 0 269.348 2.059 10 0 CEAERO CO[C@H]1CCC[C@H]1[NH2+]Cc1[nH]nnc1-c1ccccc1 ZINC000110925358 186333527 /nfs/dbraw/zinc/33/35/27/186333527.db2.gz IVEZRZGZHCORFQ-OCCSQVGLSA-N 1 0 272.352 2.129 10 0 CEAERO CC(C)c1nc(CN(C)[C@@H]2CCC[NH2+]C2)cs1 ZINC000110929614 186333765 /nfs/dbraw/zinc/33/37/65/186333765.db2.gz UEKNYOXHABFTPW-GFCCVEGCSA-N 1 0 253.415 2.450 10 0 CEAERO COc1ccc(C(C)=O)cc1CN(C)[C@@H]1CCC[NH2+]C1 ZINC000110932018 186333777 /nfs/dbraw/zinc/33/37/77/186333777.db2.gz WINOEALFDPBTFY-OAHLLOKOSA-N 1 0 276.380 2.082 10 0 CEAERO CN(C(=O)c1cc(Cl)ccc1F)[C@H]1CCC[NH2+]C1 ZINC000110927466 186333803 /nfs/dbraw/zinc/33/38/03/186333803.db2.gz MDVRKMJXOIXHQQ-JTQLQIEISA-N 1 0 270.735 2.303 10 0 CEAERO COc1cc([C@@H](C)N(C)[C@@H]2CCC[NH2+]C2)ccc1O ZINC000110926659 186333865 /nfs/dbraw/zinc/33/38/65/186333865.db2.gz KUVSTVWZNWYYKT-DGCLKSJQSA-N 1 0 264.369 2.146 10 0 CEAERO CCCN(C[C@](C)(O)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000110945970 186335550 /nfs/dbraw/zinc/33/55/50/186335550.db2.gz NTYMOQLTXPNOGP-SJORKVTESA-N 1 0 276.424 2.358 10 0 CEAERO CCN(CCC(=O)Nc1ccccc1F)[C@H]1CCC[NH2+]C1 ZINC000110943667 186335590 /nfs/dbraw/zinc/33/55/90/186335590.db2.gz SDQZRWNMRIFOGQ-ZDUSSCGKSA-N 1 0 293.386 2.228 10 0 CEAERO CCOC(=O)[C@H](C)Oc1cc(C)ccc1[C@@H](C)[NH3+] ZINC000110958084 186336966 /nfs/dbraw/zinc/33/69/66/186336966.db2.gz FCXHLODVHMSHTE-MNOVXSKESA-N 1 0 251.326 2.345 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(C)cc1OC[C@@H]1CNC(=O)O1 ZINC000110960801 186338133 /nfs/dbraw/zinc/33/81/33/186338133.db2.gz YNOSAQHZZCKBQV-NEPJUHHUSA-N 1 0 278.352 2.153 10 0 CEAERO CSc1ccc(OCC[NH2+]C[C@@H]2CCOC2)cc1 ZINC000110985990 186338612 /nfs/dbraw/zinc/33/86/12/186338612.db2.gz VJVYDJSSKIFRGD-LBPRGKRZSA-N 1 0 267.394 2.413 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Oc1ccccc1CO)c1ccccn1 ZINC000110992854 186339762 /nfs/dbraw/zinc/33/97/62/186339762.db2.gz AQEVNGUYJVTUQF-XJKSGUPXSA-N 1 0 272.348 2.431 10 0 CEAERO C[C@@H]1C[N@@H+]([C@@H]2CCCc3ccccc3[C@@H]2O)CCN1C ZINC000110735513 186317219 /nfs/dbraw/zinc/31/72/19/186317219.db2.gz ZBYLKRXRECWDEA-XYPHTWIQSA-N 1 0 274.408 2.061 10 0 CEAERO CC[C@H]1CN(CCOc2ccccc2C(C)=O)CC[N@@H+]1C ZINC000110728736 186317543 /nfs/dbraw/zinc/31/75/43/186317543.db2.gz MVSUBOBFVIAIJI-HNNXBMFYSA-N 1 0 290.407 2.294 10 0 CEAERO CN1CC[N@@H+]([C@@H]2CCCc3ccccc3[C@@H]2O)CC1(C)C ZINC000110736546 186318366 /nfs/dbraw/zinc/31/83/66/186318366.db2.gz XXGBBMIPUITGEU-SJORKVTESA-N 1 0 288.435 2.451 10 0 CEAERO C[C@@H]1CN(CCC(=O)c2ccccc2F)CC[N@@H+]1C ZINC000110743660 186318738 /nfs/dbraw/zinc/31/87/38/186318738.db2.gz RULZRCKOVKQNOS-GFCCVEGCSA-N 1 0 264.344 2.034 10 0 CEAERO C[C@@H]1CN(CCNc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000110756521 186320821 /nfs/dbraw/zinc/32/08/21/186320821.db2.gz RMUPJBAQIFCEIR-GFCCVEGCSA-N 1 0 267.804 2.388 10 0 CEAERO C[N@@H+]1CCN(C(=O)c2cccc3c2NCCC3)CC1(C)C ZINC000110759974 186322426 /nfs/dbraw/zinc/32/24/26/186322426.db2.gz HCKBJJRDSLOBGG-UHFFFAOYSA-N 1 0 287.407 2.211 10 0 CEAERO C[N@@H+]1CCN(C(=O)c2c[nH]c3ccccc23)CC1(C)C ZINC000110767579 186323258 /nfs/dbraw/zinc/32/32/58/186323258.db2.gz QCIDRSAAZHHSAX-UHFFFAOYSA-N 1 0 271.364 2.334 10 0 CEAERO Cc1cc2c(ncnc2OCC[NH2+]C(C)C)s1 ZINC000110779758 186324601 /nfs/dbraw/zinc/32/46/01/186324601.db2.gz VLBSIEHMOWZJMR-UHFFFAOYSA-N 1 0 251.355 2.377 10 0 CEAERO Cc1nc(C[NH3+])sc1-c1nc(-c2ccc(O)cc2)no1 ZINC000110790960 186324690 /nfs/dbraw/zinc/32/46/90/186324690.db2.gz PGIICQNHVBRBDM-UHFFFAOYSA-N 1 0 288.332 2.333 10 0 CEAERO CCOC(=O)c1cc(C)sc1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000110777720 186324778 /nfs/dbraw/zinc/32/47/78/186324778.db2.gz ZDQNRYBHRUGXSF-SNVBAGLBSA-N 1 0 296.392 2.171 10 0 CEAERO C[C@H](C[NH2+]Cc1cccs1)SCCS(C)(=O)=O ZINC000111007348 186342025 /nfs/dbraw/zinc/34/20/25/186342025.db2.gz UERBEGJPPTXBIY-SNVBAGLBSA-N 1 0 293.479 2.004 10 0 CEAERO C[C@@H](C[NH2+]Cc1cccs1)SCCS(C)(=O)=O ZINC000111007345 186342109 /nfs/dbraw/zinc/34/21/09/186342109.db2.gz UERBEGJPPTXBIY-JTQLQIEISA-N 1 0 293.479 2.004 10 0 CEAERO CN(C(=O)c1c(N)cccc1Cl)[C@H]1CCC[N@H+](C)C1 ZINC000111012530 186343420 /nfs/dbraw/zinc/34/34/20/186343420.db2.gz SUVHWYUJYYNJJJ-JTQLQIEISA-N 1 0 281.787 2.088 10 0 CEAERO CC[C@@H]1CO[C@@H](C)CN1[C@@H](C[NH3+])c1cccc(F)c1F ZINC000111039491 186346587 /nfs/dbraw/zinc/34/65/87/186346587.db2.gz NJMXZAWRKYWPBK-WDMOLILDSA-N 1 0 284.350 2.464 10 0 CEAERO CCN(CC(F)(F)F)c1ccc(F)cc1C(N)=[NH2+] ZINC000111034380 186346986 /nfs/dbraw/zinc/34/69/86/186346986.db2.gz JEFXTHGQPNYVSL-UHFFFAOYSA-N 1 0 263.238 2.498 10 0 CEAERO COc1ccc(N)cc1C[N@H+](C)C[C@H]1CCCOC1 ZINC000111154523 186361281 /nfs/dbraw/zinc/36/12/81/186361281.db2.gz FBCIEIQLBGKWSX-GFCCVEGCSA-N 1 0 264.369 2.136 10 0 CEAERO CCOc1ccccc1[C@H](C[NH3+])N(C)CC1CCOCC1 ZINC000111159496 186362173 /nfs/dbraw/zinc/36/21/73/186362173.db2.gz SZMXRHQKQYGROK-INIZCTEOSA-N 1 0 292.423 2.444 10 0 CEAERO CCOc1ccc([C@@H](C[NH3+])N(C)C[C@@H]2CCCOC2)cc1 ZINC000111158584 186363065 /nfs/dbraw/zinc/36/30/65/186363065.db2.gz IMIQLYUGASFVSL-WMLDXEAASA-N 1 0 292.423 2.444 10 0 CEAERO COC(C[NH2+][C@H](C)Cc1c(F)cccc1F)OC ZINC000111112830 186353326 /nfs/dbraw/zinc/35/33/26/186353326.db2.gz JMOWRBCLYPBKQP-SECBINFHSA-N 1 0 259.296 2.104 10 0 CEAERO COC(C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)OC ZINC000111112723 186353804 /nfs/dbraw/zinc/35/38/04/186353804.db2.gz ZCFPBKMHQPWMQV-DTWKUNHWSA-N 1 0 255.280 2.316 10 0 CEAERO NC(=[NH2+])c1ccc(CSc2ccncn2)c(F)c1 ZINC000111114407 186354027 /nfs/dbraw/zinc/35/40/27/186354027.db2.gz OFNMUSOYIDTDFU-UHFFFAOYSA-N 1 0 262.313 2.192 10 0 CEAERO CCOCCN(CC)[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+] ZINC000111118974 186355307 /nfs/dbraw/zinc/35/53/07/186355307.db2.gz QZPKIQGFYOLZAJ-QLFBSQMISA-N 1 0 256.434 2.497 10 0 CEAERO CCOCCN(CC)[C@H](c1ccc(OC)cc1)[C@@H](C)[NH3+] ZINC000111116825 186355583 /nfs/dbraw/zinc/35/55/83/186355583.db2.gz XEEAXUPOXJJSQF-CJNGLKHVSA-N 1 0 280.412 2.442 10 0 CEAERO CC(C)Oc1ccc([C@H](O)CN(C)CCC[NH+](C)C)cc1 ZINC000111143740 186358936 /nfs/dbraw/zinc/35/89/36/186358936.db2.gz MMZSYETVSQGMLX-QGZVFWFLSA-N 1 0 294.439 2.391 10 0 CEAERO COc1cccc([C@H](C[NH3+])N(C)C[C@@H]2CCCOC2)c1 ZINC000111155049 186359752 /nfs/dbraw/zinc/35/97/52/186359752.db2.gz KIWCOTCAKMDJQB-BBRMVZONSA-N 1 0 278.396 2.053 10 0 CEAERO CC[NH2+]CCc1nnc([C@H]2CCOc3ccccc32)o1 ZINC000111189612 186367876 /nfs/dbraw/zinc/36/78/76/186367876.db2.gz LMJOEWLVIHNHNA-LBPRGKRZSA-N 1 0 273.336 2.136 10 0 CEAERO COc1ccc(C)cc1[C@@H](O)C[NH2+]CC1CCOCC1 ZINC000111163351 186363633 /nfs/dbraw/zinc/36/36/33/186363633.db2.gz XPNIVMRYUOMSSP-HNNXBMFYSA-N 1 0 279.380 2.053 10 0 CEAERO C[C@@H]([C@H](N)c1ccccc1)[N@H+](C)CC1CCOCC1 ZINC000111161603 186363759 /nfs/dbraw/zinc/36/37/59/186363759.db2.gz WPEVOQJWCIWQRN-BBRMVZONSA-N 1 0 262.397 2.433 10 0 CEAERO CCC[NH2+]C[C@H](C(C)C)N(C)C[C@@H]1CCCOC1 ZINC000111174815 186365298 /nfs/dbraw/zinc/36/52/98/186365298.db2.gz LAHBNOHEEFDMMO-LSDHHAIUSA-N 1 0 256.434 2.369 10 0 CEAERO C[C@H](C[NH2+]C1CCCC1)N(C)C[C@@H]1CCCOC1 ZINC000111176389 186365583 /nfs/dbraw/zinc/36/55/83/186365583.db2.gz WQDNFGAAMDFUAC-KGLIPLIRSA-N 1 0 254.418 2.266 10 0 CEAERO CN(C)c1nnc(SCc2ccccc2C[NH3+])s1 ZINC000111316298 186396291 /nfs/dbraw/zinc/39/62/91/186396291.db2.gz IWQZBSXIDZNHJA-UHFFFAOYSA-N 1 0 280.422 2.355 10 0 CEAERO CC(C)[NH2+]C[C@@]1(CN(C)Cc2ccccn2)CCCOC1 ZINC000111325517 186399109 /nfs/dbraw/zinc/39/91/09/186399109.db2.gz QJHWIEOROVDREW-QGZVFWFLSA-N 1 0 291.439 2.308 10 0 CEAERO Cc1cc(C)cc(N(C)C[C@@]2(C[NH3+])CCCOC2)c1 ZINC000111327513 186399180 /nfs/dbraw/zinc/39/91/80/186399180.db2.gz XPSROQIRQHDVLK-INIZCTEOSA-N 1 0 262.397 2.495 10 0 CEAERO C[NH2+]C[C@]1(CN(C)Cc2ccsc2)CCCOC1 ZINC000111325233 186399265 /nfs/dbraw/zinc/39/92/65/186399265.db2.gz NYDHCQVHXDFCSQ-AWEZNQCLSA-N 1 0 268.426 2.196 10 0 CEAERO OC[C@@]1(C[N@@H+]2CCC[C@@H]2C2CCCC2)CCCOC1 ZINC000111331331 186399614 /nfs/dbraw/zinc/39/96/14/186399614.db2.gz CHKBHQIYEIUVOS-CVEARBPZSA-N 1 0 267.413 2.430 10 0 CEAERO CN(Cc1ccccc1F)C[C@@]1(C[NH3+])CCCOC1 ZINC000111327660 186399874 /nfs/dbraw/zinc/39/98/74/186399874.db2.gz IGQZYORIJVRJFX-HNNXBMFYSA-N 1 0 266.360 2.013 10 0 CEAERO CC[C@H](c1nc(Cc2nc3ccccc3[nH]2)no1)[C@@H](C)[NH3+] ZINC000111237890 186373602 /nfs/dbraw/zinc/37/36/02/186373602.db2.gz SDUOGRLNFZREHK-ZJUUUORDSA-N 1 0 285.351 2.378 10 0 CEAERO Cc1cccc([C@H](CN)[N@H+](C)CC2CCOCC2)c1 ZINC000111239112 186374405 /nfs/dbraw/zinc/37/44/05/186374405.db2.gz NQFHOZZPTZAPGT-INIZCTEOSA-N 1 0 262.397 2.353 10 0 CEAERO COc1ccccc1[C@H](C[NH3+])N(C)CC1CCOCC1 ZINC000111239103 186374730 /nfs/dbraw/zinc/37/47/30/186374730.db2.gz RGYBTXPTFVHPDC-HNNXBMFYSA-N 1 0 278.396 2.053 10 0 CEAERO Cc1cccnc1-c1noc([C@]2(C(F)(F)F)CC[NH2+]C2)n1 ZINC000111240919 186375158 /nfs/dbraw/zinc/37/51/58/186375158.db2.gz IEAFPMGQNDQYQO-LBPRGKRZSA-N 1 0 298.268 2.233 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000111263070 186380351 /nfs/dbraw/zinc/38/03/51/186380351.db2.gz CIQVRZXMFVYPCD-KCJUWKMLSA-N 1 0 272.270 2.499 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc(Cl)c1N(C)C ZINC000111264492 186381143 /nfs/dbraw/zinc/38/11/43/186381143.db2.gz ZHVIJOMSMOJNNS-UWVGGRQHSA-N 1 0 281.787 2.200 10 0 CEAERO COc1ccc(C)cc1[C@H](C)NC(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000111265220 186381330 /nfs/dbraw/zinc/38/13/30/186381330.db2.gz HRBBVFMDQOIWRG-SGMGOOAPSA-N 1 0 276.380 2.036 10 0 CEAERO CCCOc1ccccc1NC(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000111265056 186381490 /nfs/dbraw/zinc/38/14/90/186381490.db2.gz SUDCJFQHACPKTI-NWDGAFQWSA-N 1 0 262.353 2.269 10 0 CEAERO CCN(Cc1cccc(F)c1)C(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000111268179 186382303 /nfs/dbraw/zinc/38/23/03/186382303.db2.gz HTQRQKYDEFISLQ-SMDDNHRTSA-N 1 0 264.344 2.030 10 0 CEAERO CC(C)C(=O)Nc1cccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000111266423 186382426 /nfs/dbraw/zinc/38/24/26/186382426.db2.gz OTNTXLAXPYCVHI-BXUZGUMPSA-N 1 0 289.379 2.075 10 0 CEAERO CCOc1ccc([C@@H](C)NC(=O)[C@@H]2C[NH2+]C[C@@H]2C)cc1 ZINC000111267076 186383069 /nfs/dbraw/zinc/38/30/69/186383069.db2.gz XCJCSXIDXXTRCP-YWPYICTPSA-N 1 0 276.380 2.118 10 0 CEAERO CCN(Cc1ccc(OC)c(F)c1)C(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000111268151 186383134 /nfs/dbraw/zinc/38/31/34/186383134.db2.gz ZUQMKZAXCQPZHQ-AAEUAGOBSA-N 1 0 294.370 2.038 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)N1CCc2sccc2[C@@H]1C ZINC000111270168 186383724 /nfs/dbraw/zinc/38/37/24/186383724.db2.gz XLPIQGHMTJNUBS-JBLDHEPKSA-N 1 0 264.394 2.049 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCc2sccc2[C@@H]1C1CC1 ZINC000111268414 186383736 /nfs/dbraw/zinc/38/37/36/186383736.db2.gz AFWAUBNKCKKLFA-YVLXSGLVSA-N 1 0 290.432 2.439 10 0 CEAERO CCC(CC)N(CC(F)(F)F)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000111269150 186383766 /nfs/dbraw/zinc/38/37/66/186383766.db2.gz GQWPNRFWWACVEP-MWLCHTKSSA-N 1 0 280.334 2.421 10 0 CEAERO COc1ccccc1[C@H](C)N(C)C(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000111268750 186384179 /nfs/dbraw/zinc/38/41/79/186384179.db2.gz UGMDVKIAYKGKCP-OBJOEFQTSA-N 1 0 276.380 2.070 10 0 CEAERO CCN(C(=O)c1ccc(C[NH3+])cn1)c1ccccc1F ZINC000111282229 186388149 /nfs/dbraw/zinc/38/81/49/186388149.db2.gz GQLHQMNCPCZMCC-UHFFFAOYSA-N 1 0 273.311 2.346 10 0 CEAERO Cc1ccnc2[nH]c([C@@H]([NH3+])Cc3ccc(O)cc3)nc21 ZINC000111279978 186388803 /nfs/dbraw/zinc/38/88/03/186388803.db2.gz MFRYXGXAJPQAOU-LBPRGKRZSA-N 1 0 268.320 2.214 10 0 CEAERO CCN(C(=O)c1ccc2[nH]ccc2c1)[C@@H]1CCC[NH2+]C1 ZINC000111289285 186390703 /nfs/dbraw/zinc/39/07/03/186390703.db2.gz UBNMKZNPUCFCTR-CQSZACIVSA-N 1 0 271.364 2.382 10 0 CEAERO CC(C)[C@H](C)N(C)c1nc2ccccn2c1CC[NH3+] ZINC000111479840 186422031 /nfs/dbraw/zinc/42/20/31/186422031.db2.gz DAYYDRBFPXPLQY-LBPRGKRZSA-N 1 0 260.385 2.316 10 0 CEAERO CC[C@@H]([NH3+])Cc1c(C)nn(C)c1N(C)Cc1cccnc1 ZINC000111494091 186424182 /nfs/dbraw/zinc/42/41/82/186424182.db2.gz PCNJAOXUNFFGGM-CQSZACIVSA-N 1 0 287.411 2.040 10 0 CEAERO CC(C)[C@@H](C)NC(=O)CN1CCCC[C@@H]1C[NH2+]C(C)(C)C ZINC000111704110 186447479 /nfs/dbraw/zinc/44/74/79/186447479.db2.gz MUZRPDCDRNMNHU-HUUCEWRRSA-N 1 0 297.487 2.390 10 0 CEAERO CC(C)CNC(=O)[C@H](C)N1CCCC[C@H]1C[NH2+]CC(C)C ZINC000111704797 186447711 /nfs/dbraw/zinc/44/77/11/186447711.db2.gz GFHXLYKKUOESCM-HOTGVXAUSA-N 1 0 297.487 2.247 10 0 CEAERO CC(C)C[NH2+]C[C@@H]1CCCCN1Cc1ccno1 ZINC000111704537 186447999 /nfs/dbraw/zinc/44/79/99/186447999.db2.gz QRAJABOINGACOH-ZDUSSCGKSA-N 1 0 251.374 2.275 10 0 CEAERO CC[NH2+][C@H](C)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000111713862 186450663 /nfs/dbraw/zinc/45/06/63/186450663.db2.gz MRJWKABASZDCQR-ZIAGYGMSSA-N 1 0 296.436 2.085 10 0 CEAERO Cc1ccc(CC(=O)N[C@@H]2c3ccccc3C[C@H]2[NH3+])cc1 ZINC000111367480 186406363 /nfs/dbraw/zinc/40/63/63/186406363.db2.gz FQWVYTPXZJIASC-SJLPKXTDSA-N 1 0 280.371 2.278 10 0 CEAERO [NH3+][C@@H]1Cc2ccccc2[C@@H]1NC(=O)CC1CCCC1 ZINC000111367205 186406770 /nfs/dbraw/zinc/40/67/70/186406770.db2.gz HJBGHYIQJOEEIQ-ZBFHGGJFSA-N 1 0 258.365 2.308 10 0 CEAERO C[C@H]1CCC[C@](C[NH3+])(NC(=O)COc2ccccc2)C1 ZINC000111369799 186407654 /nfs/dbraw/zinc/40/76/54/186407654.db2.gz ZAJMMSJMVBNBQC-BBRMVZONSA-N 1 0 276.380 2.089 10 0 CEAERO C[C@@H]1CCC[C@](C[NH3+])(N2C(=O)CC(C)(C)CC2=O)C1 ZINC000111382440 186410822 /nfs/dbraw/zinc/41/08/22/186410822.db2.gz WXFAMXYUBZFFBV-ABAIWWIYSA-N 1 0 266.385 2.069 10 0 CEAERO O=C1NCCC[C@H]1[NH2+]Cc1ccsc1C(F)(F)F ZINC000628210286 351006552 /nfs/dbraw/zinc/00/65/52/351006552.db2.gz OTXQRSPHRFWGMP-MRVPVSSYSA-N 1 0 278.299 2.135 10 0 CEAERO CCC[C@H](Cc1nc(-c2cc(C)ccn2)no1)[NH2+]C ZINC000112637836 186511440 /nfs/dbraw/zinc/51/14/40/186511440.db2.gz WPGAVHDJKDWQQV-LLVKDONJSA-N 1 0 260.341 2.371 10 0 CEAERO CC[NH2+][C@@H](CC)[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000113130209 186554087 /nfs/dbraw/zinc/55/40/87/186554087.db2.gz JTLODLSZANQKJR-WFASDCNBSA-N 1 0 298.452 2.429 10 0 CEAERO CCCCCNC(=O)[C@H](C)N(CCC)[C@@H]1CCC[NH2+]C1 ZINC000113283216 186569231 /nfs/dbraw/zinc/56/92/31/186569231.db2.gz WOAOCKYWEKOJKH-LSDHHAIUSA-N 1 0 283.460 2.145 10 0 CEAERO CCCN([C@@H](C)C(=O)NC(CC)CC)[C@@H]1CCC[NH2+]C1 ZINC000113283387 186569315 /nfs/dbraw/zinc/56/93/15/186569315.db2.gz NYAXRQUIIWECIH-DZGCQCFKSA-N 1 0 283.460 2.144 10 0 CEAERO Cn1cc([C@H]2CC[N@H+](C[C@@](C)(O)c3ccccc3)C2)cn1 ZINC000116320778 186707643 /nfs/dbraw/zinc/70/76/43/186707643.db2.gz OJPVERNWYCDKIW-WMLDXEAASA-N 1 0 285.391 2.117 10 0 CEAERO CCN(Cc1ccoc1)C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000629599363 351427798 /nfs/dbraw/zinc/42/77/98/351427798.db2.gz DXWKZFFZGODNLC-GHMZBOCLSA-N 1 0 290.285 2.026 10 0 CEAERO C[C@H]1CSCC[N@@H+]1C[C@H](O)COCc1ccccc1 ZINC000070380155 363076942 /nfs/dbraw/zinc/07/69/42/363076942.db2.gz ASDVCNUWFPXZOI-ZFWWWQNUSA-N 1 0 281.421 2.001 10 0 CEAERO C[C@@H]1CSCC[N@@H+]1C[C@H](O)COCc1ccccc1 ZINC000070380154 363077082 /nfs/dbraw/zinc/07/70/82/363077082.db2.gz ASDVCNUWFPXZOI-HIFRSBDPSA-N 1 0 281.421 2.001 10 0 CEAERO CC(C)c1cc(N2CC[NH2+]CC2)nc(-c2ccncc2)n1 ZINC000070451640 363083551 /nfs/dbraw/zinc/08/35/51/363083551.db2.gz WSJHCUFFGLTADI-UHFFFAOYSA-N 1 0 283.379 2.072 10 0 CEAERO C[C@@H](N[C@H](C[NH+](C)C)c1ccccc1)c1nccn1C ZINC000070443587 363081595 /nfs/dbraw/zinc/08/15/95/363081595.db2.gz XAKWXXGSUXGNHE-UKRRQHHQSA-N 1 0 272.396 2.374 10 0 CEAERO COc1ccnc(NC[C@H]2CCC[N@@H+]2CC(C)C)n1 ZINC000131474950 366056372 /nfs/dbraw/zinc/05/63/72/366056372.db2.gz WVCRZRRNZNBFBW-GFCCVEGCSA-N 1 0 264.373 2.018 10 0 CEAERO [NH3+][C@@H]1CCN(c2cc(-c3ccccc3Cl)[nH]n2)C1 ZINC000070460223 363088131 /nfs/dbraw/zinc/08/81/31/363088131.db2.gz LBLKRSRKRBVLLE-SECBINFHSA-N 1 0 262.744 2.268 10 0 CEAERO Cc1cc(N2CC[C@H]([NH3+])C2)nc(-c2cccc(F)c2)n1 ZINC000070455807 363084425 /nfs/dbraw/zinc/08/44/25/363084425.db2.gz HDTUUFOGXQBNBC-ZDUSSCGKSA-N 1 0 272.327 2.129 10 0 CEAERO CC(C)c1cc(N2CC[C@@H]([NH3+])C2)nc(-c2cccnc2)n1 ZINC000070455890 363084574 /nfs/dbraw/zinc/08/45/74/363084574.db2.gz VLAZHAAAHABSDR-CYBMUJFWSA-N 1 0 283.379 2.199 10 0 CEAERO CCc1cc(N2CCC(C[NH3+])CC2)nc(-c2cccnc2)n1 ZINC000070456132 363085176 /nfs/dbraw/zinc/08/51/76/363085176.db2.gz HSRUJYJPQYVSBX-UHFFFAOYSA-N 1 0 297.406 2.276 10 0 CEAERO CO[C@H]1CN(Cc2ccccc2Cl)[C@@](C)(C[NH3+])C1 ZINC000630357182 351710797 /nfs/dbraw/zinc/71/07/97/351710797.db2.gz XEYZEIJZPSKFES-TZMCWYRMSA-N 1 0 268.788 2.278 10 0 CEAERO CO[C@@H]1CN(Cc2ccc(Cl)s2)[C@@](C)(C[NH3+])C1 ZINC000630361133 351712011 /nfs/dbraw/zinc/71/20/11/351712011.db2.gz LYKKSAXSIFLMDU-JOYOIKCWSA-N 1 0 274.817 2.340 10 0 CEAERO Cc1cc(NCC2CC[NH2+]CC2)nc(-c2cccnc2)n1 ZINC000070456027 363085407 /nfs/dbraw/zinc/08/54/07/363085407.db2.gz HNYQIPGRNAHWTN-UHFFFAOYSA-N 1 0 283.379 2.259 10 0 CEAERO CCCc1nc(CN2C[C@@H](OC)C[C@]2(C)C[NH3+])cs1 ZINC000630361271 351712465 /nfs/dbraw/zinc/71/24/65/351712465.db2.gz IOCYEPMKBUFWBU-GXTWGEPZSA-N 1 0 283.441 2.034 10 0 CEAERO CO[C@@H]1CN(C(=O)c2cccc(C)c2Cl)[C@](C)(C[NH3+])C1 ZINC000630375639 351716048 /nfs/dbraw/zinc/71/60/48/351716048.db2.gz SESSJVRBLOMRON-NHYWBVRUSA-N 1 0 296.798 2.227 10 0 CEAERO Cc1cc(Br)cnc1N[C@@H]1CC[NH2+][C@H]1C ZINC000630545705 351779264 /nfs/dbraw/zinc/77/92/64/351779264.db2.gz ORLAWVFRSDUQJO-WCBMZHEXSA-N 1 0 270.174 2.315 10 0 CEAERO C[C@H]1CN(c2ccc(C(F)(F)F)cn2)C[C@H]1C[NH3+] ZINC000630571791 351788590 /nfs/dbraw/zinc/78/85/90/351788590.db2.gz PVHRFWOWUQVTFH-DTWKUNHWSA-N 1 0 259.275 2.131 10 0 CEAERO CC[C@@H]1[NH2+]CC[C@H]1Nc1ccc(Br)cn1 ZINC000630527050 351773409 /nfs/dbraw/zinc/77/34/09/351773409.db2.gz GSOYVJXXFLWAEI-VHSXEESVSA-N 1 0 270.174 2.397 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COc1cc(F)c(NC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1F ZINC000156116125 188243393 /nfs/dbraw/zinc/24/33/93/188243393.db2.gz WLZWBZNSHLQMQC-SECBINFHSA-N 1 0 299.321 2.141 10 0 CEAERO CCc1ccccc1CNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000155758460 188226049 /nfs/dbraw/zinc/22/60/49/188226049.db2.gz QHNPCIIBHOLYTI-HNNXBMFYSA-N 1 0 275.396 2.095 10 0 CEAERO C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000251895458 539993620 /nfs/dbraw/zinc/99/36/20/539993620.db2.gz VXGNVUOUJXGOAO-KWCYVHTRSA-N 1 0 258.365 2.339 10 0 CEAERO C[C@H]1CCCN(c2nc3ccccc3n2C)[C@H]1C[NH3+] ZINC000252094057 539998153 /nfs/dbraw/zinc/99/81/53/539998153.db2.gz FDGHPOQDFCJHHJ-FZMZJTMJSA-N 1 0 258.369 2.137 10 0 CEAERO CC(C)C1([NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000293012904 198495436 /nfs/dbraw/zinc/49/54/36/198495436.db2.gz OCLRYLXWEYMZPU-UHFFFAOYSA-N 1 0 296.436 2.215 10 0 CEAERO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)CC[NH3+] ZINC000074535086 363353370 /nfs/dbraw/zinc/35/33/70/363353370.db2.gz KPQVGGAWBWPDLF-MRVPVSSYSA-N 1 0 291.178 2.178 10 0 CEAERO CCCN(C(=O)[C@H](C)C1C[NH2+]C1)[C@H]1C[C@H](OCC)C1(C)C ZINC000262591912 283028369 /nfs/dbraw/zinc/02/83/69/283028369.db2.gz WJBCBBYFJKNPRB-SNPRPXQTSA-N 1 0 296.455 2.284 10 0 CEAERO CCC[N@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000105874541 283057709 /nfs/dbraw/zinc/05/77/09/283057709.db2.gz WJPNTDRUEBAYOI-ZDUSSCGKSA-N 1 0 268.426 2.463 10 0 CEAERO O=C([C@@H]1C[C@H]2C[C@H]2C1)N1CC[NH2+]C2(CCCCC2)C1 ZINC000400673852 540066745 /nfs/dbraw/zinc/06/67/45/540066745.db2.gz QNVGTJYOLKCZSY-BTTYYORXSA-N 1 0 262.397 2.167 10 0 CEAERO CC(C)[C@H]([NH3+])CCN(C)c1nccc(C(F)(F)F)n1 ZINC000133578421 366236642 /nfs/dbraw/zinc/23/66/42/366236642.db2.gz YIAKGTJEQTZYFQ-SECBINFHSA-N 1 0 276.306 2.305 10 0 CEAERO CC(C)(C)OC(=O)N1CC(c2ccns2)=C[C@H]([NH3+])C1 ZINC000675078494 540118975 /nfs/dbraw/zinc/11/89/75/540118975.db2.gz QDJRPSIXLAXDFC-JTQLQIEISA-N 1 0 281.381 2.105 10 0 CEAERO CCCNC(=O)N1[C@@H](C(F)(F)F)CCC[C@H]1CC[NH3+] ZINC000675072281 540113496 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O=C(NC1CC[NH2+]CC1)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000037921550 540182260 /nfs/dbraw/zinc/18/22/60/540182260.db2.gz XKOUXNHGTXNPNX-CVEARBPZSA-N 1 0 288.391 2.023 10 0 CEAERO C[C@@H](NC(=O)C[C@H]1CCC[NH2+]C1)c1cccs1 ZINC000054306089 540207966 /nfs/dbraw/zinc/20/79/66/540207966.db2.gz HRKCKEPWSCDMFF-GHMZBOCLSA-N 1 0 252.383 2.315 10 0 CEAERO CC1(C)CCC[C@H]([NH2+][C@H]2CCCN(CCO)C2)CC1 ZINC000384670194 540213055 /nfs/dbraw/zinc/21/30/55/540213055.db2.gz CWAJSYOJAHIVFM-GJZGRUSLSA-N 1 0 268.445 2.392 10 0 CEAERO C[C@@H](C[C@@H]1CCCC[NH2+]1)N1C(=O)c2ccccc2C1=O ZINC000575479028 366292106 /nfs/dbraw/zinc/29/21/06/366292106.db2.gz LNUFOIVDRGCXNT-RYUDHWBXSA-N 1 0 272.348 2.203 10 0 CEAERO C[NH2+]Cc1cc(I)c(F)cc1F ZINC000575515120 366293310 /nfs/dbraw/zinc/29/33/10/366293310.db2.gz OLNCVFOSJBPUEF-UHFFFAOYSA-N 1 0 283.059 2.289 10 0 CEAERO CN1CC[C@@]([NH3+])(c2cscc2Br)C1 ZINC000575560350 366296409 /nfs/dbraw/zinc/29/64/09/366296409.db2.gz JAXRFMHQLDLGDB-VIFPVBQESA-N 1 0 261.188 2.000 10 0 CEAERO COc1cc(C[NH2+][C@H](C)[C@@H]2CCCO2)cc2c1OCO2 ZINC000075782792 363489810 /nfs/dbraw/zinc/48/98/10/363489810.db2.gz CVFJPGCHJBENBA-PWSUYJOCSA-N 1 0 279.336 2.081 10 0 CEAERO CC(C)(C)OC[C@@H](O)C[N@@H+]1CCOC2(CCCCC2)C1 ZINC000075832711 363490483 /nfs/dbraw/zinc/49/04/83/363490483.db2.gz RAPCANVBJIYLLY-AWEZNQCLSA-N 1 0 285.428 2.198 10 0 CEAERO Cc1cnc(C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)cn1 ZINC000328999008 202147522 /nfs/dbraw/zinc/14/75/22/202147522.db2.gz GGXLBFNRWHWVDS-GFCCVEGCSA-N 1 0 285.351 2.035 10 0 CEAERO Cc1ccc(CC(=O)N2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC000169800202 538759199 /nfs/dbraw/zinc/75/91/99/538759199.db2.gz FSANJTIOJLKMGU-UHFFFAOYSA-N 1 0 286.419 2.482 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)NCCCC1CCCC1 ZINC000225329855 538788137 /nfs/dbraw/zinc/78/81/37/538788137.db2.gz QMKVRJFNIRSCQS-CQSZACIVSA-N 1 0 252.402 2.463 10 0 CEAERO Cc1noc(C)c1CC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000336284335 213122169 /nfs/dbraw/zinc/12/21/69/213122169.db2.gz GNKIGXBJZRNWBR-GOEBONIOSA-N 1 0 278.396 2.461 10 0 CEAERO O[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000302448806 538870062 /nfs/dbraw/zinc/87/00/62/538870062.db2.gz UYLCBSAPPNLNFC-BFHYXJOUSA-N 1 0 253.386 2.229 10 0 CEAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000324632701 538884842 /nfs/dbraw/zinc/88/48/42/538884842.db2.gz UJEPGOCMIZCEEA-STQMWFEESA-N 1 0 255.402 2.475 10 0 CEAERO CC[C@H]1CCCN(C(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000079339403 363590093 /nfs/dbraw/zinc/59/00/93/363590093.db2.gz FNVUGFOXLQDFRE-UONOGXRCSA-N 1 0 252.402 2.415 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCOCc1ccccc1 ZINC000390172318 540380418 /nfs/dbraw/zinc/38/04/18/540380418.db2.gz KSRGNSDRHQSVSC-NVXWUHKLSA-N 1 0 274.408 2.372 10 0 CEAERO CCOC1CCN(c2ccc(F)cc2C(N)=[NH2+])CC1 ZINC000104238258 535399528 /nfs/dbraw/zinc/39/95/28/535399528.db2.gz DOHWALLCTTVRBE-UHFFFAOYSA-N 1 0 265.332 2.115 10 0 CEAERO COc1cccc(C[NH2+][C@@H]2CCCCC[C@H]2O)c1OC ZINC000135658422 366464492 /nfs/dbraw/zinc/46/44/92/366464492.db2.gz QWCJEYGGTBJZSL-ZIAGYGMSSA-N 1 0 279.380 2.487 10 0 CEAERO CN(CCOc1ccc(F)cc1)C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000136149095 366497998 /nfs/dbraw/zinc/49/79/98/366497998.db2.gz UFIHDIZDTUJQSZ-INIZCTEOSA-N 1 0 294.370 2.195 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCc1cccc(O)c1 ZINC000079726444 363623952 /nfs/dbraw/zinc/62/39/52/363623952.db2.gz VHMIEWWGZOQSON-CQSZACIVSA-N 1 0 293.411 2.168 10 0 CEAERO CC[C@@H]([NH2+]C[C@H](O)COC(C)(C)C)c1nccs1 ZINC000080304680 363655923 /nfs/dbraw/zinc/65/59/23/363655923.db2.gz RBRRYHWHSQBKCP-WDEREUQCSA-N 1 0 272.414 2.360 10 0 CEAERO O[C@H]1CCC[C@H](C[N@@H+]2CCOc3ccccc3C2)C1 ZINC000311637851 540457287 /nfs/dbraw/zinc/45/72/87/540457287.db2.gz KHBMJEDYVPMABU-ZFWWWQNUSA-N 1 0 261.365 2.432 10 0 CEAERO CCOC[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[C@H](O)C1 ZINC000313234238 540464806 /nfs/dbraw/zinc/46/48/06/540464806.db2.gz PWGSWWTWPOYFGY-KKUMJFAQSA-N 1 0 255.402 2.429 10 0 CEAERO C[N@H+](Cc1ccccc1)[C@H]1CC(=O)N[C@@H](C(F)(F)F)C1 ZINC000685947080 540638706 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189020224 /nfs/dbraw/zinc/02/02/24/189020224.db2.gz FIETULLBBPTHED-CYBMUJFWSA-N 1 0 266.410 2.233 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cc1ccccc1OC ZINC000177025130 189021879 /nfs/dbraw/zinc/02/18/79/189021879.db2.gz MBEVLAVEEMYHJX-HNNXBMFYSA-N 1 0 290.407 2.180 10 0 CEAERO COc1cccc([C@H](C)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000177245031 189039012 /nfs/dbraw/zinc/03/90/12/189039012.db2.gz FXYVVWMQLCWNHO-GOEBONIOSA-N 1 0 292.423 2.193 10 0 CEAERO COc1ccc(OCCCN2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000178628976 189132554 /nfs/dbraw/zinc/13/25/54/189132554.db2.gz CBDWZECEYPVDGU-OAHLLOKOSA-N 1 0 290.407 2.244 10 0 CEAERO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@H+](C)C[C@@H]1CCOC1 ZINC000178773859 189144698 /nfs/dbraw/zinc/14/46/98/189144698.db2.gz PFKVPDOACGAUGO-ZNMIVQPWSA-N 1 0 290.407 2.221 10 0 CEAERO CCC[C@H](C(=O)NCc1ccc([C@@H](C)O)cc1)[NH+](C)C ZINC000179599504 189206407 /nfs/dbraw/zinc/20/64/07/189206407.db2.gz XELFMROXEKKKOX-IUODEOHRSA-N 1 0 278.396 2.086 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc2nccn21 ZINC000180262107 189247197 /nfs/dbraw/zinc/24/71/97/189247197.db2.gz HDWIOGLLIKQQPU-ZIAGYGMSSA-N 1 0 270.380 2.003 10 0 CEAERO CN1CCO[C@H](C[NH2+][C@@H]2CC(C)(C)c3ccccc32)C1 ZINC000180489542 189257996 /nfs/dbraw/zinc/25/79/96/189257996.db2.gz FENUDAOCPUGTGP-CZUORRHYSA-N 1 0 274.408 2.329 10 0 CEAERO CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)CC2CC2)ncn1 ZINC000180578081 189263202 /nfs/dbraw/zinc/26/32/02/189263202.db2.gz JJLWDPMJIZLJJB-OCCSQVGLSA-N 1 0 289.427 2.265 10 0 CEAERO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H]1CCc2ncnn2C1 ZINC000180601433 189264922 /nfs/dbraw/zinc/26/49/22/189264922.db2.gz HHBHRGRNPTTYRA-OLZOCXBDSA-N 1 0 286.379 2.261 10 0 CEAERO COC(=O)CCC[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000180670209 189268944 /nfs/dbraw/zinc/26/89/44/189268944.db2.gz WZXMOMBLICOTTK-ZDUSSCGKSA-N 1 0 287.363 2.476 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@H](O)c1ccccc1F ZINC000180839707 189279116 /nfs/dbraw/zinc/27/91/16/189279116.db2.gz YFEXWSWIEVHPJD-CPUCHLNUSA-N 1 0 292.398 2.418 10 0 CEAERO Cc1c(Cl)cccc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000082286838 363759809 /nfs/dbraw/zinc/75/98/09/363759809.db2.gz OLNZVHUXPZAHEF-LLVKDONJSA-N 1 0 266.772 2.425 10 0 CEAERO [NH3+][C@@H](c1ccc[nH]1)c1cncc(Br)c1 ZINC000011737566 361363846 /nfs/dbraw/zinc/36/38/46/361363846.db2.gz UJPKSSGCJLIVPC-SNVBAGLBSA-N 1 0 252.115 2.220 10 0 CEAERO CCN(CC)c1c(C[NH3+])c(C)nn1-c1ccccc1 ZINC000011850758 361365811 /nfs/dbraw/zinc/36/58/11/361365811.db2.gz IAADQADKIFMZNM-UHFFFAOYSA-N 1 0 258.369 2.486 10 0 CEAERO Oc1ccc2c(c1)O[C@H](C[NH2+]Cc1ccco1)CC2 ZINC000012355977 361379163 /nfs/dbraw/zinc/37/91/63/361379163.db2.gz VGDCLOXHDNBUQX-AWEZNQCLSA-N 1 0 259.305 2.469 10 0 CEAERO [NH3+][C@@H]1CC[C@H](C(=O)NCC2(c3ccc(F)cc3)CCC2)C1 ZINC000154140966 366760031 /nfs/dbraw/zinc/76/00/31/366760031.db2.gz JZPZSJHQDWZVHP-SWLSCSKDSA-N 1 0 290.382 2.491 10 0 CEAERO C[C@@H](NC(=O)C(C)(C)[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000040920047 296038601 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Cc1ccc([C@H](C)[NH2+]CC(=O)N2CCCC2)cc1F ZINC000094955598 364314738 /nfs/dbraw/zinc/31/47/38/364314738.db2.gz KLVNOPVSTZKAGC-LBPRGKRZSA-N 1 0 264.344 2.407 10 0 CEAERO COc1cccc(-c2noc([C@H]3CC[C@@H]([NH3+])C3)n2)c1 ZINC000097067844 364439550 /nfs/dbraw/zinc/43/95/50/364439550.db2.gz DDVALGDMHMSJRK-WDEREUQCSA-N 1 0 259.309 2.340 10 0 CEAERO COC[C@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000103430170 364652331 /nfs/dbraw/zinc/65/23/31/364652331.db2.gz KHIVRGSQBOFYLK-GOEBONIOSA-N 1 0 290.407 2.050 10 0 CEAERO COCCCCC[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105909597 364702993 /nfs/dbraw/zinc/70/29/93/364702993.db2.gz VQQGXSDIOZTQGO-OAHLLOKOSA-N 1 0 292.427 2.194 10 0 CEAERO CC[C@H]1C[N@H+](CCC(C)(C)C)CCN1CCOC ZINC000112697828 364829273 /nfs/dbraw/zinc/82/92/73/364829273.db2.gz OZMNPHFLHKFGJQ-AWEZNQCLSA-N 1 0 256.434 2.465 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1noc2ccccc21 ZINC000113226559 364876889 /nfs/dbraw/zinc/87/68/89/364876889.db2.gz DHNVGNAQZMMAQT-QWHCGFSZSA-N 1 0 299.374 2.065 10 0 CEAERO CCCCc1noc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1 ZINC000113270301 364882063 /nfs/dbraw/zinc/88/20/63/364882063.db2.gz YFVWPHRZOZRRFR-QWHCGFSZSA-N 1 0 278.400 2.081 10 0 CEAERO Cc1cc(F)cc(NC(=O)[C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000335594215 212306642 /nfs/dbraw/zinc/30/66/42/212306642.db2.gz VBDMXMOHXYBKKQ-MFKMUULPSA-N 1 0 250.317 2.461 10 0 CEAERO Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCS(=O)(=O)C2)o1 ZINC000680406418 541409110 /nfs/dbraw/zinc/40/91/10/541409110.db2.gz ZZMKNHIYNDQLKG-RYUDHWBXSA-N 1 0 271.382 2.063 10 0 CEAERO Cc1c2ccccc2[nH]c(=O)c1C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000193504586 189644374 /nfs/dbraw/zinc/64/43/74/189644374.db2.gz ALYYHCUSVDQSQS-WCQYABFASA-N 1 0 299.374 2.119 10 0 CEAERO Cn1cc([C@@H]2CC[N@H+](Cc3cccc4c3OCCO4)C2)cn1 ZINC000116311805 365050107 /nfs/dbraw/zinc/05/01/07/365050107.db2.gz ZKPDNQJIGNXBPP-CYBMUJFWSA-N 1 0 299.374 2.181 10 0 CEAERO CC(C)CCOCC[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000116407685 365053497 /nfs/dbraw/zinc/05/34/97/365053497.db2.gz BADUBYLONIDLED-CQSZACIVSA-N 1 0 265.401 2.272 10 0 CEAERO C[C@@H](O)C[N@@H+]1CCN(CCSc2ccccc2)C[C@@H]1C ZINC000117879923 365129560 /nfs/dbraw/zinc/12/95/60/365129560.db2.gz KIGFEWQDOHKEJB-LSDHHAIUSA-N 1 0 294.464 2.166 10 0 CEAERO CCCCC[N@@H+]1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000117880642 365129890 /nfs/dbraw/zinc/12/98/90/365129890.db2.gz LGDMGTJZJSNFNZ-OAHLLOKOSA-N 1 0 265.401 2.391 10 0 CEAERO COC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H]1Cc2ccccc21 ZINC000118682922 365170722 /nfs/dbraw/zinc/17/07/22/365170722.db2.gz GPUSTEXKHAUXBJ-ZFWWWQNUSA-N 1 0 259.349 2.354 10 0 CEAERO Cc1ccc(C)c(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000118786382 365178861 /nfs/dbraw/zinc/17/88/61/365178861.db2.gz GAGNUZIVOHJVFJ-AWEZNQCLSA-N 1 0 291.395 2.098 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CSc3ccccc32)C1 ZINC000118333822 365149950 /nfs/dbraw/zinc/14/99/50/365149950.db2.gz ABNNFIPAAHSDHC-TZMCWYRMSA-N 1 0 290.432 2.476 10 0 CEAERO Cn1cccc1C[NH2+]C(C)(C)CNC(=O)OC(C)(C)C 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C[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc(NS(C)(=O)=O)cc1 ZINC000120469515 365429523 /nfs/dbraw/zinc/42/95/23/365429523.db2.gz OCKXPZNSVZKDEA-NRUUGDAUSA-N 1 0 268.382 2.117 10 0 CEAERO C[C@@H](O)C[N@@H+]1CCN(Cc2coc3ccccc23)C[C@@H]1C ZINC000120592552 365448317 /nfs/dbraw/zinc/44/83/17/365448317.db2.gz PYSDVJCZMCAXKF-UONOGXRCSA-N 1 0 288.391 2.320 10 0 CEAERO Cc1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)cc1C ZINC000121046568 365516667 /nfs/dbraw/zinc/51/66/67/365516667.db2.gz GINRKFABHVARSX-QGZVFWFLSA-N 1 0 274.408 2.210 10 0 CEAERO C[C@@H]1CCCN(c2ccncc2Br)[C@@H]1C[NH3+] ZINC000159906386 366957982 /nfs/dbraw/zinc/95/79/82/366957982.db2.gz UQRGNOCUEZNRJZ-BXKDBHETSA-N 1 0 284.201 2.408 10 0 CEAERO CC1(CNc2ncc(Br)cn2)CC[NH2+]CC1 ZINC000160012749 366965093 /nfs/dbraw/zinc/96/50/93/366965093.db2.gz NPFMUQMQULGYFD-UHFFFAOYSA-N 1 0 285.189 2.041 10 0 CEAERO Cc1cccc([C@H](C)[NH2+]C[C@H](O)COC(C)C)c1 ZINC000160240970 366985309 /nfs/dbraw/zinc/98/53/09/366985309.db2.gz DWLKHTUCKVATJL-ZFWWWQNUSA-N 1 0 251.370 2.432 10 0 CEAERO C[C@H]([NH2+]CCOC1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000583137951 367007064 /nfs/dbraw/zinc/00/70/64/367007064.db2.gz WEJFFUSDOWMPIF-UONOGXRCSA-N 1 0 254.418 2.313 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nc(C(C)(C)C)no1 ZINC000245417661 370817564 /nfs/dbraw/zinc/81/75/64/370817564.db2.gz GDVIDVJCONNGTR-OLZOCXBDSA-N 1 0 292.427 2.426 10 0 CEAERO C[C@@H]1CCC[C@@H](CCNC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000162134022 367138828 /nfs/dbraw/zinc/13/88/28/367138828.db2.gz MPHAQKDOYJKJFR-RDBSUJKOSA-N 1 0 252.402 2.319 10 0 CEAERO C[C@@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@@H]1C[NH3+] ZINC000638884442 370818342 /nfs/dbraw/zinc/81/83/42/370818342.db2.gz CNMNVBPFWHQYEY-OLZOCXBDSA-N 1 0 260.381 2.017 10 0 CEAERO O=C(CC[C@@H]1CCC[NH2+]1)N1CCc2ccsc2C1 ZINC000335551505 212255920 /nfs/dbraw/zinc/25/59/20/212255920.db2.gz FVJXBJWGNCIJCN-LBPRGKRZSA-N 1 0 264.394 2.165 10 0 CEAERO Cc1cccc(C(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)c1F ZINC000161613862 367101676 /nfs/dbraw/zinc/10/16/76/367101676.db2.gz 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C[C@H]([NH2+][C@H]1Cc2ccccc2[C@H]1O)c1cccnc1 ZINC000245596832 370846049 /nfs/dbraw/zinc/84/60/49/370846049.db2.gz ITAUSKGGBSVNRG-KNXALSJPSA-N 1 0 254.333 2.391 10 0 CEAERO CC[C@H](C(=O)N1CCC[C@@H](c2nc(C)cs2)C1)[NH+](C)C ZINC000163788377 367265160 /nfs/dbraw/zinc/26/51/60/367265160.db2.gz BXEQNENAKLJVEC-CHWSQXEVSA-N 1 0 295.452 2.498 10 0 CEAERO CC[C@@H](O)C[NH+]1CCN(Cc2ccc(C)cc2C)CC1 ZINC000164036355 367274226 /nfs/dbraw/zinc/27/42/26/367274226.db2.gz IDBCPXORWWDMOB-QGZVFWFLSA-N 1 0 276.424 2.192 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2C2CCCCC2)C1 ZINC000163611942 367252106 /nfs/dbraw/zinc/25/21/06/367252106.db2.gz BULYPOHBAHCMLF-KFWWJZLASA-N 1 0 264.413 2.365 10 0 CEAERO C[C@@H]1CN(c2ccncc2Br)[C@H](C)C[NH2+]1 ZINC000163720914 367261921 /nfs/dbraw/zinc/26/19/21/367261921.db2.gz KUONELCCUBNFJO-RKDXNWHRSA-N 1 0 270.174 2.031 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccccc2OC(F)F)C1 ZINC000171071029 367471205 /nfs/dbraw/zinc/47/12/05/367471205.db2.gz BJOLXLBIODZVDK-JTQLQIEISA-N 1 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/nfs/dbraw/zinc/55/18/43/367551843.db2.gz BCOWSTDKYONYML-ZIAGYGMSSA-N 1 0 274.364 2.111 10 0 CEAERO Cc1ccc(C(C)(C)C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000171303217 367519255 /nfs/dbraw/zinc/51/92/55/367519255.db2.gz BTGBTJFVVOWIBQ-OAHLLOKOSA-N 1 0 274.408 2.435 10 0 CEAERO Cc1ccc(C(C)(C)C(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000171303212 367519357 /nfs/dbraw/zinc/51/93/57/367519357.db2.gz BTGBTJFVVOWIBQ-HNNXBMFYSA-N 1 0 274.408 2.435 10 0 CEAERO O=C(NCc1cccs1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000171573725 367569282 /nfs/dbraw/zinc/56/92/82/367569282.db2.gz VAJDSSPYGXCKMF-GFCCVEGCSA-N 1 0 279.409 2.128 10 0 CEAERO C[C@H]1CN(Cc2csc(C3CC3)n2)C[C@@H]1C[NH3+] ZINC000631839074 367579247 /nfs/dbraw/zinc/57/92/47/367579247.db2.gz ZKNOWSDHEOOMQX-ONGXEEELSA-N 1 0 251.399 2.047 10 0 CEAERO C[C@@H]1CN(Cc2csc(C3CC3)n2)C[C@@H]1C[NH3+] ZINC000631839072 367579498 /nfs/dbraw/zinc/57/94/98/367579498.db2.gz ZKNOWSDHEOOMQX-KOLCDFICSA-N 1 0 251.399 2.047 10 0 CEAERO C[C@H]1CN(Cc2cc3c(c(Cl)c2)OCO3)C[C@@H]1C[NH3+] ZINC000631841974 367583303 /nfs/dbraw/zinc/58/33/03/367583303.db2.gz SOZPYQQFFOWTKN-ONGXEEELSA-N 1 0 282.771 2.095 10 0 CEAERO CC(C)n1ncc2cc(CN3CC[N@@H+]4CCC[C@@H]4C3)cnc21 ZINC000171638548 367584110 /nfs/dbraw/zinc/58/41/10/367584110.db2.gz CRBMGSGFERZGAZ-MRXNPFEDSA-N 1 0 299.422 2.292 10 0 CEAERO COC(=O)c1cccc(C[N@@H+]2CCS[C@@H](C)C2)c1 ZINC000171699338 367597823 /nfs/dbraw/zinc/59/78/23/367597823.db2.gz ALIABKIIRLGAOF-NSHDSACASA-N 1 0 265.378 2.411 10 0 CEAERO C[N@H+](C1CCN(CCn2cccn2)CC1)[C@H]1C=CCCC1 ZINC000171746311 367608317 /nfs/dbraw/zinc/60/83/17/367608317.db2.gz DLHNHSWJLXUORV-INIZCTEOSA-N 1 0 288.439 2.388 10 0 CEAERO Cc1nn(C)c(C)c1CN1CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000171746368 367607907 /nfs/dbraw/zinc/60/79/07/367607907.db2.gz UDJMTQRXBCQVRP-INIZCTEOSA-N 1 0 288.439 2.263 10 0 CEAERO C[C@H]1C[N@H+](CCC(=O)N2CCc3ccccc32)CCS1 ZINC000171695177 367596323 /nfs/dbraw/zinc/59/63/23/367596323.db2.gz OYAGNGBBEYNQQJ-ZDUSSCGKSA-N 1 0 290.432 2.403 10 0 CEAERO Cn1cc(CN2CCC[N@@H+]([C@H]3C=CCCC3)CC2)cn1 ZINC000171746445 367609390 /nfs/dbraw/zinc/60/93/90/367609390.db2.gz XYUNMGKHBRNECI-INIZCTEOSA-N 1 0 274.412 2.037 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)[nH]2)C1 ZINC000171777965 367613192 /nfs/dbraw/zinc/61/31/92/367613192.db2.gz YKCBLUQXJYBADS-AWEZNQCLSA-N 1 0 283.375 2.458 10 0 CEAERO O=C(NCc1cccc(Cl)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171897294 367635852 /nfs/dbraw/zinc/63/58/52/367635852.db2.gz LOZUFKRRTJAJNK-CQSZACIVSA-N 1 0 293.798 2.330 10 0 CEAERO Cn1cc([C@H]2CC[N@H+](Cc3nc4ccccc4n3C)C2)cn1 ZINC000172056889 367665684 /nfs/dbraw/zinc/66/56/84/367665684.db2.gz IDANSMVCHXECRV-ZDUSSCGKSA-N 1 0 295.390 2.296 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(F)cc1 ZINC000172134941 367680226 /nfs/dbraw/zinc/68/02/26/367680226.db2.gz PINDEXNGHYJTJY-SWLSCSKDSA-N 1 0 291.370 2.204 10 0 CEAERO CCc1ccc(CN2CC[N@H+](CCOC)[C@@H](CC)C2)o1 ZINC000245742599 370868057 /nfs/dbraw/zinc/86/80/57/370868057.db2.gz MCJHYTJIVHXKLL-AWEZNQCLSA-N 1 0 280.412 2.385 10 0 CEAERO CC[C@H](CSC)NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000245929701 370890204 /nfs/dbraw/zinc/89/02/04/370890204.db2.gz ZTKIZFSMFYFQHO-OLZOCXBDSA-N 1 0 285.457 2.008 10 0 CEAERO C[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000173127364 367870989 /nfs/dbraw/zinc/87/09/89/367870989.db2.gz VVBMNAFNDORATA-ZFWWWQNUSA-N 1 0 260.381 2.170 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCc1nc2ccccc2s1 ZINC000335530543 212223573 /nfs/dbraw/zinc/22/35/73/212223573.db2.gz AEUWRMWFHOYFEL-WDEREUQCSA-N 1 0 289.404 2.301 10 0 CEAERO CSCCC[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000173671193 367932614 /nfs/dbraw/zinc/93/26/14/367932614.db2.gz GUIBUEZJQUTKDI-CYBMUJFWSA-N 1 0 280.441 2.130 10 0 CEAERO CCc1nnc(CN(C)CCc2cccs2)n1C ZINC000174151239 367990613 /nfs/dbraw/zinc/99/06/13/367990613.db2.gz OOJYPNTYELVXBY-UHFFFAOYSA-N 1 0 264.398 2.114 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccccc1N(C)C ZINC000173748072 367940357 /nfs/dbraw/zinc/94/03/57/367940357.db2.gz OPGAFLPOQOEYJH-GDBMZVCRSA-N 1 0 273.424 2.421 10 0 CEAERO CC(C)c1nnc(CN(C)CC[C@H]2CCCC[N@@H+]2C)n1C ZINC000173951438 367964109 /nfs/dbraw/zinc/96/41/09/367964109.db2.gz FTXDXRHRHCOAJT-CQSZACIVSA-N 1 0 293.459 2.245 10 0 CEAERO CC[C@H]1CN(C(=O)C2CCCCCC2)CC[N@@H+]1C[C@@H](C)O ZINC000174616961 368047540 /nfs/dbraw/zinc/04/75/40/368047540.db2.gz ASBXRIHTHIGPMH-ZBFHGGJFSA-N 1 0 296.455 2.260 10 0 CEAERO CCCCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000174611003 368047569 /nfs/dbraw/zinc/04/75/69/368047569.db2.gz CDJDJEADFGVBJS-QWHCGFSZSA-N 1 0 253.390 2.055 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccnc(C2CC2)n1 ZINC000174923988 368079660 /nfs/dbraw/zinc/07/96/60/368079660.db2.gz KZNFTHFHGPMYTO-ZIAGYGMSSA-N 1 0 272.396 2.417 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COc1ccccc1 ZINC000174980501 368086310 /nfs/dbraw/zinc/08/63/10/368086310.db2.gz NXXWUKIKFFCSNH-LSDHHAIUSA-N 1 0 288.391 2.151 10 0 CEAERO CC[C@@H](C)NC(=O)C[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000176484529 368244185 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APLLSKSKXUJPRN-JHJVBQTASA-N 1 0 285.457 2.006 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H](C)Oc2ccccc2)C1 ZINC000247366629 371098386 /nfs/dbraw/zinc/09/83/86/371098386.db2.gz OWMCCCRJBJUECF-YCPHGPKFSA-N 1 0 290.407 2.299 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc2c1OCCO2 ZINC000247411192 371104735 /nfs/dbraw/zinc/10/47/35/371104735.db2.gz QCKFXWJWMKBASW-ZFWWWQNUSA-N 1 0 288.391 2.126 10 0 CEAERO CCCCCCOCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247468248 371112376 /nfs/dbraw/zinc/11/23/76/371112376.db2.gz RLHNVSKFHKWFAC-CABCVRRESA-N 1 0 282.428 2.278 10 0 CEAERO C[C@@H]1CC[C@H](CCC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)O1 ZINC000247515476 371120187 /nfs/dbraw/zinc/12/01/87/371120187.db2.gz ZKUXREBCLAYHAQ-APIJFGDWSA-N 1 0 280.412 2.029 10 0 CEAERO COc1cccc(CC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000247526939 371121221 /nfs/dbraw/zinc/12/12/21/371121221.db2.gz ZMHXRGWOGCLQLZ-XJKSGUPXSA-N 1 0 290.407 2.083 10 0 CEAERO C[C@H](c1cccc(F)c1)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 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295.471 2.001 10 0 CEAERO COC(=O)[C@]1(c2cccc(C(F)(F)F)c2)CC[NH2+]C1 ZINC000261226941 371636359 /nfs/dbraw/zinc/63/63/59/371636359.db2.gz NMEOHVXERNPJSH-GFCCVEGCSA-N 1 0 273.254 2.110 10 0 CEAERO Cc1ccnc(N2C[C@H](C)[NH2+]C[C@H]2C)c1Br ZINC000261533987 371639662 /nfs/dbraw/zinc/63/96/62/371639662.db2.gz MQOAEAPTIYKYKL-VHSXEESVSA-N 1 0 284.201 2.339 10 0 CEAERO CC1(C)[C@H](C(F)(F)F)CCN1C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000261573918 371655734 /nfs/dbraw/zinc/65/57/34/371655734.db2.gz WFZZFWZTGCUULT-IVZWLZJFSA-N 1 0 278.318 2.303 10 0 CEAERO Cc1csc2c1ncnc2N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000261571868 371655801 /nfs/dbraw/zinc/65/58/01/371655801.db2.gz RSIMGIRJKGCGGD-GXSJLCMTSA-N 1 0 276.409 2.421 10 0 CEAERO C[NH2+][C@@H](C)Cc1noc(-c2ccc(C3CC3)cn2)n1 ZINC000261690121 371703859 /nfs/dbraw/zinc/70/38/59/371703859.db2.gz HLHZWJKQZOFDPJ-VIFPVBQESA-N 1 0 258.325 2.159 10 0 CEAERO CCC(CC)CN(CC)C(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261705295 371707045 /nfs/dbraw/zinc/70/70/45/371707045.db2.gz 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CC[NH2+][C@H](C)CNC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000262437282 371861078 /nfs/dbraw/zinc/86/10/78/371861078.db2.gz GQFBEOOZYYJDSB-USWWRNFRSA-N 1 0 282.334 2.183 10 0 CEAERO CC[NH2+]CCNC(=O)[C@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000262540116 371873425 /nfs/dbraw/zinc/87/34/25/371873425.db2.gz SKXLXBWJFSSHRO-JKSUJKDBSA-N 1 0 290.407 2.188 10 0 CEAERO CCC(=O)c1ccc(C(=O)N2CCCC[C@H]2C[NH3+])cc1 ZINC000262540217 371874172 /nfs/dbraw/zinc/87/41/72/371874172.db2.gz FRPSWFDVGFIQCP-AWEZNQCLSA-N 1 0 274.364 2.233 10 0 CEAERO CCC[C@](C)([NH3+])C(=O)NCCCc1cccc(OC)c1 ZINC000262715672 371900884 /nfs/dbraw/zinc/90/08/84/371900884.db2.gz UWEQMEYNWVFCCM-INIZCTEOSA-N 1 0 278.396 2.262 10 0 CEAERO C[C@@H]1[NH2+]CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)[C@H]1C ZINC000262741824 371904535 /nfs/dbraw/zinc/90/45/35/371904535.db2.gz DUOLWTJVCVBKJU-YRRQLQLVSA-N 1 0 294.345 2.277 10 0 CEAERO C[C@@H]1[NH2+]CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)[C@H]1C ZINC000262741822 371904632 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COC[C@@]1(C(=O)Nc2cc(Cl)ccc2C)CCC[NH2+]1 ZINC000643616577 373222627 /nfs/dbraw/zinc/22/26/27/373222627.db2.gz AEDJJRSVMARVED-CQSZACIVSA-N 1 0 282.771 2.356 10 0 CEAERO COCCC1(C(=O)N[C@H]2CCC[C@@H](C)C2)CC[NH2+]CC1 ZINC000643634028 373226965 /nfs/dbraw/zinc/22/69/65/373226965.db2.gz XBGCRWGIEUVANC-KGLIPLIRSA-N 1 0 282.428 2.088 10 0 CEAERO COC[C@]1(C(=O)N[C@@H](C)c2cc(C)sc2C)CCC[NH2+]1 ZINC000643635216 373227683 /nfs/dbraw/zinc/22/76/83/373227683.db2.gz BVAHWNZGWPWEPQ-NHYWBVRUSA-N 1 0 296.436 2.311 10 0 CEAERO COC[C@@]1(C(=O)NCCCC2CCCCC2)CCC[NH2+]1 ZINC000643639213 373229333 /nfs/dbraw/zinc/22/93/33/373229333.db2.gz GVVIMKHLDDBRBJ-MRXNPFEDSA-N 1 0 282.428 2.232 10 0 CEAERO CC[C@@H](NC(=O)[C@@H]1C[NH2+]CCC1(F)F)c1ccccc1 ZINC000644016979 373340375 /nfs/dbraw/zinc/34/03/75/373340375.db2.gz XYVANJDDPYHGAB-QWHCGFSZSA-N 1 0 282.334 2.499 10 0 CEAERO CCC1CCC(NC(=O)[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000644017663 373342898 /nfs/dbraw/zinc/34/28/98/373342898.db2.gz FITAFRBSPPQOLH-MCIGGMRASA-N 1 0 274.355 2.316 10 0 CEAERO CC[C@H](Oc1ccccc1C)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000246498812 189929084 /nfs/dbraw/zinc/92/90/84/189929084.db2.gz PSUROTMRHKFMNA-KKUMJFAQSA-N 1 0 290.407 2.396 10 0 CEAERO Cc1cc2c(N[C@@H]3C[N@H+](C(C)C)C[C@@H]3C)nccn2n1 ZINC000274743461 374034812 /nfs/dbraw/zinc/03/48/12/374034812.db2.gz AMKNUZILVYLPNP-WCQYABFASA-N 1 0 273.384 2.178 10 0 CEAERO CCS[C@H](C(=O)N[C@H]1CCC[NH2+][C@H]1C)C(C)C ZINC000248872851 189954041 /nfs/dbraw/zinc/95/40/41/189954041.db2.gz PILUAYCNWBVWCD-SRVKXCTJSA-N 1 0 258.431 2.021 10 0 CEAERO Cc1cccc(O[C@H](C)C(=O)N[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000248870849 189954097 /nfs/dbraw/zinc/95/40/97/189954097.db2.gz OQAOKJZQPTUPMS-GZBFAFLISA-N 1 0 276.380 2.019 10 0 CEAERO OC[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1c1ccsc1 ZINC000249555562 189962754 /nfs/dbraw/zinc/96/27/54/189962754.db2.gz JOYWUFQOWZSNLJ-GJZGRUSLSA-N 1 0 281.421 2.182 10 0 CEAERO [NH3+]C1(CNc2ccnc3cccnc32)CCCCC1 ZINC000379212510 375150035 /nfs/dbraw/zinc/15/00/35/375150035.db2.gz OASBVFHYDVNCGT-UHFFFAOYSA-N 1 0 256.353 2.125 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]CC2([S@](C)=O)CC2)c1C ZINC000380188127 375159813 /nfs/dbraw/zinc/15/98/13/375159813.db2.gz VIIYLKXEWQKHIV-DGIBIBHMSA-N 1 0 283.441 2.082 10 0 CEAERO COc1c(C[NH2+][C@@H]2C[C@H]2CC(C)C)c(C)nn1C ZINC000385785173 375244033 /nfs/dbraw/zinc/24/40/33/375244033.db2.gz CXLBGUYAELIBND-DGCLKSJQSA-N 1 0 251.374 2.261 10 0 CEAERO [NH3+]CC[C@H](Nc1ccc(Br)cn1)C(F)F ZINC000383470486 375203984 /nfs/dbraw/zinc/20/39/84/375203984.db2.gz LYIOVVZXYJWVFG-ZETCQYMHSA-N 1 0 280.116 2.239 10 0 CEAERO COc1cc(C)c(C[N@@H+]2CCC[C@H](O)[C@@H]2C)cc1OC ZINC000384927618 375221381 /nfs/dbraw/zinc/22/13/81/375221381.db2.gz RYZPSFNDPZCZBK-JSGCOSHPSA-N 1 0 279.380 2.357 10 0 CEAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCOc1ccccc1F ZINC000384960112 375221999 /nfs/dbraw/zinc/22/19/99/375221999.db2.gz WNRJNCSIZLZCPS-YPMHNXCESA-N 1 0 253.317 2.050 10 0 CEAERO C[C@H]1C[C@@H]([NH3+])CN1c1ncc(Cl)cc1Br ZINC000385089923 375228196 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ZINC000282247114 375439414 /nfs/dbraw/zinc/43/94/14/375439414.db2.gz GKDAEHFITUJIAK-SKDRFNHKSA-N 1 0 297.196 2.206 10 0 CEAERO C[C@@H](C[NH2+]Cc1ccn(C)c1)N(C)C(=O)OC(C)(C)C ZINC000282614909 375530284 /nfs/dbraw/zinc/53/02/84/375530284.db2.gz FDLLQXOAZSBUHW-LBPRGKRZSA-N 1 0 281.400 2.370 10 0 CEAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)c1cc(F)ccc1F ZINC000282417542 375479998 /nfs/dbraw/zinc/47/99/98/375479998.db2.gz QPEYMUYURAILLW-RVBZMBCESA-N 1 0 268.307 2.283 10 0 CEAERO [NH3+]CCn1cc(-c2sccc2Br)cn1 ZINC000306619764 376550937 /nfs/dbraw/zinc/55/09/37/376550937.db2.gz VRVSAUIHPZUJBD-UHFFFAOYSA-N 1 0 272.171 2.333 10 0 CEAERO C[C@@H]1CCC[C@@H](CCN2C(=O)c3ccccc3C2=O)[NH2+]1 ZINC000307488825 376567059 /nfs/dbraw/zinc/56/70/59/376567059.db2.gz DQMAHCQCZJNQSL-NEPJUHHUSA-N 1 0 272.348 2.203 10 0 CEAERO Cc1cc(N[C@@H](C)[C@@H](C)[NH3+])cnc1Br ZINC000307332015 376562813 /nfs/dbraw/zinc/56/28/13/376562813.db2.gz KNKYAGWBZMPLJX-SFYZADRCSA-N 1 0 258.163 2.300 10 0 CEAERO C[C@@H]1C[C@@H](O)CN(Cc2ccc(Br)o2)C1 ZINC000307453274 376565643 /nfs/dbraw/zinc/56/56/43/376565643.db2.gz UVAOCEHOJKMLOB-RKDXNWHRSA-N 1 0 274.158 2.245 10 0 CEAERO CO[C@](C)(C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)C1CC1 ZINC000310863553 376640597 /nfs/dbraw/zinc/64/05/97/376640597.db2.gz KXCITSJYHRWVAD-KYEXWDHISA-N 1 0 253.386 2.205 10 0 CEAERO Cc1cc(C(C)C)nc(N2C[C@@H](C)[C@](C)(C[NH3+])C2)n1 ZINC000311504223 376672915 /nfs/dbraw/zinc/67/29/15/376672915.db2.gz MEKYFPQYPFZQPY-IAQYHMDHSA-N 1 0 262.401 2.330 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cnc2ccccc2c1 ZINC000312406756 376713311 /nfs/dbraw/zinc/71/33/11/376713311.db2.gz WGEDQMKFNURWLN-BXUZGUMPSA-N 1 0 269.348 2.105 10 0 CEAERO [NH3+]C[C@H](SC1CCOCC1)C(F)(F)C(F)(F)F ZINC000616569262 542152967 /nfs/dbraw/zinc/15/29/67/542152967.db2.gz IULZGKHZKGUFEO-ZETCQYMHSA-N 1 0 279.274 2.424 10 0 CEAERO CC(C)(C)[C@H](O)C[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000324486672 376840537 /nfs/dbraw/zinc/84/05/37/376840537.db2.gz KLGRBSOFESQLSD-SCRDCRAPSA-N 1 0 273.442 2.038 10 0 CEAERO CCCCOC[C@@H](O)C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000325022486 376842551 /nfs/dbraw/zinc/84/25/51/376842551.db2.gz IZRMHIWPOVHMAM-LSDHHAIUSA-N 1 0 255.402 2.332 10 0 CEAERO CCN1CC[C@@H]([NH2+][C@@H](C)c2cccc(NC(C)=O)c2)C1 ZINC000328509327 376852198 /nfs/dbraw/zinc/85/21/98/376852198.db2.gz MVOJFXNSBPIGOP-BLLLJJGKSA-N 1 0 275.396 2.390 10 0 CEAERO C[S@](=N)(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000616568347 542153899 /nfs/dbraw/zinc/15/38/99/542153899.db2.gz ISOQWXFFJJSFMV-KRWDZBQOSA-N 1 0 252.383 2.328 10 0 CEAERO CCN(C)C(=O)N1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000292878982 377328911 /nfs/dbraw/zinc/32/89/11/377328911.db2.gz LZGKIWADUYKSLC-CYBMUJFWSA-N 1 0 290.411 2.389 10 0 CEAERO CC(C)C1([NH2+]C[C@H](O)COCc2cccs2)CC1 ZINC000292891059 377336293 /nfs/dbraw/zinc/33/62/93/377336293.db2.gz CYJDWHNNVBBAKF-LBPRGKRZSA-N 1 0 269.410 2.404 10 0 CEAERO C[C@@H](C(=O)Nc1ccccn1)[C@H]([NH3+])c1ccccc1 ZINC000131611274 249315960 /nfs/dbraw/zinc/31/59/60/249315960.db2.gz HMBRYFWVNJHYJM-RISCZKNCSA-N 1 0 255.321 2.356 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]Cc2cccc3cnccc32)C1 ZINC000167387459 542215066 /nfs/dbraw/zinc/21/50/66/542215066.db2.gz OTXVFNWXLFLYMP-INIZCTEOSA-N 1 0 285.391 2.045 10 0 CEAERO CC[C@H](O)CN1CC[NH+](CC(C)(C)c2ccccc2)CC1 ZINC000180163464 542261854 /nfs/dbraw/zinc/26/18/54/542261854.db2.gz MRAVZQSIQZJIHM-KRWDZBQOSA-N 1 0 290.451 2.353 10 0 CEAERO CCCCOC[C@H](O)C[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000516862244 379316432 /nfs/dbraw/zinc/31/64/32/379316432.db2.gz RAXYJTBMQJVATB-KFWWJZLASA-N 1 0 287.444 2.347 10 0 CEAERO Cc1cc(NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)nnc1C ZINC000302307433 379353904 /nfs/dbraw/zinc/35/39/04/379353904.db2.gz OIQBQJQRSQYLCX-CHWSQXEVSA-N 1 0 292.427 2.393 10 0 CEAERO CC[N@H+](C)[C@H]1CCN(c2nc(C(C)C)ns2)C1 ZINC000302788508 379452265 /nfs/dbraw/zinc/45/22/65/379452265.db2.gz XLOXZJRMOHRSPS-JTQLQIEISA-N 1 0 254.403 2.192 10 0 CEAERO CCO[C@H]1C[C@H]([NH2+]CCCOC(C)C)C12CCOCC2 ZINC000186205472 270249174 /nfs/dbraw/zinc/24/91/74/270249174.db2.gz MEBIAURRIBQYEH-GJZGRUSLSA-N 1 0 285.428 2.365 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)/C=C\c1ccc[nH]1 ZINC000491998889 380413431 /nfs/dbraw/zinc/41/34/31/380413431.db2.gz IOFXBSPCYRCYAH-ZPIQOJFGSA-N 1 0 275.396 2.265 10 0 CEAERO C[C@H]1C[C@H](O)C[N@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000334746442 207008330 /nfs/dbraw/zinc/00/83/30/207008330.db2.gz PYBOGMFQIRNKJL-BBRMVZONSA-N 1 0 271.364 2.075 10 0 CEAERO C[C@@H]1CN(C(=O)/C=C/c2ccc(Cl)s2)C[C@@H]1[NH3+] ZINC000493612401 381086447 /nfs/dbraw/zinc/08/64/47/381086447.db2.gz ARUFGRPIKWVFSO-VYODUFISSA-N 1 0 270.785 2.220 10 0 CEAERO O=C1NCCC[C@H]1[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000129744132 284885097 /nfs/dbraw/zinc/88/50/97/284885097.db2.gz UWIBMWKAYLVEBG-LLVKDONJSA-N 1 0 290.260 2.213 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2c[nH]nc2C)C12CCOCC2 ZINC000186314583 542308773 /nfs/dbraw/zinc/30/87/73/542308773.db2.gz IXOWLVRIFRPZKS-NILFDRSVSA-N 1 0 293.411 2.343 10 0 CEAERO CCC(=O)Nc1cccc(NC(=O)C2CCC([NH3+])CC2)c1 ZINC000040809680 184548283 /nfs/dbraw/zinc/54/82/83/184548283.db2.gz JWYBNVSIXDHFRT-UHFFFAOYSA-N 1 0 289.379 2.491 10 0 CEAERO CCCNC(=[NH2+])N[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000052043528 184566867 /nfs/dbraw/zinc/56/68/67/184566867.db2.gz DQYWZUOWSGHVKC-JTQLQIEISA-N 1 0 265.357 2.289 10 0 CEAERO CCC[NH2+][C@H](c1ccccc1)[C@@H](C)Sc1nnnn1C ZINC000081845228 184596975 /nfs/dbraw/zinc/59/69/75/184596975.db2.gz DUKXFXDXFZRPDJ-YPMHNXCESA-N 1 0 291.424 2.432 10 0 CEAERO C[C@@H]1CCCC[C@@H]1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171897442 296333715 /nfs/dbraw/zinc/33/37/15/296333715.db2.gz FWNSEZFAYKHNIW-MCIONIFRSA-N 1 0 265.401 2.055 10 0 CEAERO CC(C)[NH2+][C@@](CO)(CN(C)CC1CCCC1)C1CC1 ZINC000085211573 184605500 /nfs/dbraw/zinc/60/55/00/184605500.db2.gz VXLOORXZTQWSPP-MRXNPFEDSA-N 1 0 268.445 2.248 10 0 CEAERO CCC(CC)(C[NH3+])OCC(=O)Nc1ccc(C)cc1 ZINC000086710528 184609707 /nfs/dbraw/zinc/60/97/07/184609707.db2.gz ZBSUUAOYRYWQKB-UHFFFAOYSA-N 1 0 264.369 2.468 10 0 CEAERO Cc1cc(Br)cnc1N[C@@H]1CCC[C@@H]1[NH3+] ZINC000086708487 184609871 /nfs/dbraw/zinc/60/98/71/184609871.db2.gz IMTBQENFNWXOLS-VHSXEESVSA-N 1 0 270.174 2.444 10 0 CEAERO [NH3+]CC1(OCC(=O)Nc2ccccc2F)CCCCC1 ZINC000086711218 184610258 /nfs/dbraw/zinc/61/02/58/184610258.db2.gz FQNVTHNEKMHUTC-UHFFFAOYSA-N 1 0 280.343 2.442 10 0 CEAERO CCc1ccc(C[NH3+])cc1S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000088913076 184614416 /nfs/dbraw/zinc/61/44/16/184614416.db2.gz HRDLIULYMLPZMA-GFCCVEGCSA-N 1 0 296.436 2.128 10 0 CEAERO CC[N@H+]1C[C@H](NCc2ccc(Br)o2)[C@@H](C)C1 ZINC000381296591 542352060 /nfs/dbraw/zinc/35/20/60/542352060.db2.gz GQZNTNRRUXMGFN-ONGXEEELSA-N 1 0 287.201 2.472 10 0 CEAERO CCOc1ccccc1[C@H]([NH3+])CSC1COC1 ZINC000092712984 184622734 /nfs/dbraw/zinc/62/27/34/184622734.db2.gz XGUNVVIXZQNTBV-GFCCVEGCSA-N 1 0 253.367 2.217 10 0 CEAERO CC[NH2+]Cc1c(N(CC)CC(C)(C)O)nc2ccccn21 ZINC000092971207 184639440 /nfs/dbraw/zinc/63/94/40/184639440.db2.gz HJDTXUPNQVHMPR-UHFFFAOYSA-N 1 0 290.411 2.041 10 0 CEAERO CC(C)[NH2+]C[C@H]1CCO[C@@H]1c1cn2ccccc2n1 ZINC000092866447 184632835 /nfs/dbraw/zinc/63/28/35/184632835.db2.gz BYSGGIXWHWPGHZ-DOMZBBRYSA-N 1 0 259.353 2.410 10 0 CEAERO CC(C)C[NH2+]C[C@@H]1CCCO[C@@H]1C1CCOCC1 ZINC000092887968 184633748 /nfs/dbraw/zinc/63/37/48/184633748.db2.gz MUOQTPAGCJOVGX-LSDHHAIUSA-N 1 0 255.402 2.454 10 0 CEAERO COCC[NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1OC ZINC000092888444 184633800 /nfs/dbraw/zinc/63/38/00/184633800.db2.gz FKOXKBRVBUPBTH-BBRMVZONSA-N 1 0 279.380 2.399 10 0 CEAERO COCC[NH2+]C[C@@H]1CCCO[C@@H]1c1ccc(OC)cc1 ZINC000092888332 184633834 /nfs/dbraw/zinc/63/38/34/184633834.db2.gz UFNKIAKANOPUNB-GOEBONIOSA-N 1 0 279.380 2.399 10 0 CEAERO C[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)CCCc1ccccc1 ZINC000092951329 184637253 /nfs/dbraw/zinc/63/72/53/184637253.db2.gz TZJUXTWSLQYSIJ-HIFRSBDPSA-N 1 0 260.381 2.076 10 0 CEAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000092951358 184637275 /nfs/dbraw/zinc/63/72/75/184637275.db2.gz JYRHRUROJWSCCS-FQUUOJAGSA-N 1 0 250.386 2.023 10 0 CEAERO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC2(CCCC2)CC1 ZINC000092956850 184637442 /nfs/dbraw/zinc/63/74/42/184637442.db2.gz RWKRTAOVHBGGOQ-QWHCGFSZSA-N 1 0 250.386 2.167 10 0 CEAERO CSCC[NH2+][C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000093208524 184655874 /nfs/dbraw/zinc/65/58/74/184655874.db2.gz OJRBQZZFUBYVLQ-WDEREUQCSA-N 1 0 274.430 2.385 10 0 CEAERO C[NH2+]C[C@@H](CCCS(C)(=O)=O)c1ccc(C)cc1 ZINC000093137205 184651721 /nfs/dbraw/zinc/65/17/21/184651721.db2.gz ACFZKPBBBPSNEK-CQSZACIVSA-N 1 0 269.410 2.123 10 0 CEAERO CC(C)[NH2+]C[C@H](CCS(C)(=O)=O)c1ccc(F)cc1 ZINC000093152016 184652420 /nfs/dbraw/zinc/65/24/20/184652420.db2.gz FOMWFDZMJYEFEY-ZDUSSCGKSA-N 1 0 287.400 2.342 10 0 CEAERO C[C@@H]([NH3+])CCC(=O)N(C)[C@H](C)Cc1cccs1 ZINC000093289015 184660605 /nfs/dbraw/zinc/66/06/05/184660605.db2.gz PUZFTWJXMFFOJN-GHMZBOCLSA-N 1 0 254.399 2.265 10 0 CEAERO Cn1cc(C[NH2+]C2CC2)c(-c2ccc3c(c2)OCO3)n1 ZINC000093297275 184661167 /nfs/dbraw/zinc/66/11/67/184661167.db2.gz BWDSXPXKSJSCTD-UHFFFAOYSA-N 1 0 271.320 2.068 10 0 CEAERO NC(=O)c1ccc(Cl)c(N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000093211474 184656128 /nfs/dbraw/zinc/65/61/28/184656128.db2.gz DYDPQYVGYCJWEX-ZJUUUORDSA-N 1 0 267.760 2.121 10 0 CEAERO COc1ccccc1NC(=O)O[C@@H]1CC[C@H]([NH3+])C1 ZINC000093220361 184656693 /nfs/dbraw/zinc/65/66/93/184656693.db2.gz TWHSNONXRZKKDY-VHSXEESVSA-N 1 0 250.298 2.124 10 0 CEAERO CC[C@@H]1CCC[C@H](c2noc(COCC[NH3+])n2)C1 ZINC000093229132 184657113 /nfs/dbraw/zinc/65/71/13/184657113.db2.gz OFKLKXXLEHJAGA-MNOVXSKESA-N 1 0 253.346 2.229 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)c2coc(C3CCC3)n2)[C@@H](C)C1 ZINC000194677397 542362275 /nfs/dbraw/zinc/36/22/75/542362275.db2.gz WAFMNQPDAWLROW-AAEUAGOBSA-N 1 0 291.395 2.401 10 0 CEAERO C[C@H]1C[C@@H](C(=O)N2CC(C3CCCC3)C2)CC[N@@H+]1C ZINC000335324330 208191316 /nfs/dbraw/zinc/19/13/16/208191316.db2.gz QQTMZADPNLTTBB-JSGCOSHPSA-N 1 0 264.413 2.365 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000245473641 285239230 /nfs/dbraw/zinc/23/92/30/285239230.db2.gz QEDKHMLKNAQYPI-HRCADAONSA-N 1 0 295.471 2.192 10 0 CEAERO CC1(C)Cc2cccc([C@@H]3CNC(=[NH2+])N3C3CC3)c2O1 ZINC000093373635 184667943 /nfs/dbraw/zinc/66/79/43/184667943.db2.gz MXXLVHKMMHHTFU-ZDUSSCGKSA-N 1 0 271.364 2.234 10 0 CEAERO NC1=[NH+]C[C@@H]([C@@H]2CCCOC2)N1c1ccccc1Cl ZINC000093378453 184668748 /nfs/dbraw/zinc/66/87/48/184668748.db2.gz JLROWZFYRQEFJD-MFKMUULPSA-N 1 0 279.771 2.480 10 0 CEAERO CC1(C)C(NC(=O)C2CCC(C[NH3+])CC2)C1(C)C ZINC000093426117 184674286 /nfs/dbraw/zinc/67/42/86/184674286.db2.gz KZDJYHJCEQPZJG-UHFFFAOYSA-N 1 0 252.402 2.302 10 0 CEAERO COC(=O)c1coc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000281286481 195181295 /nfs/dbraw/zinc/18/12/95/195181295.db2.gz OTCFPOBJPXHYSS-ZSBIGDGJSA-N 1 0 281.352 2.359 10 0 CEAERO C[NH2+][C@H]1CCCC[C@@H]1S(=O)(=O)c1ccccc1C ZINC000081978193 177909850 /nfs/dbraw/zinc/90/98/50/177909850.db2.gz GMLIZBHQONDGHQ-JSGCOSHPSA-N 1 0 267.394 2.299 10 0 CEAERO CC[C@@H](C)S(=O)(=O)[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C ZINC000081936710 177902697 /nfs/dbraw/zinc/90/26/97/177902697.db2.gz KWOKASOMWZYWIW-HONMWMINSA-N 1 0 267.394 2.085 10 0 CEAERO CC[NH2+][C@@H](C)CCCS(=O)(=O)Cc1ccccc1 ZINC000081923797 177897896 /nfs/dbraw/zinc/89/78/96/177897896.db2.gz KTILAKHFOPDIKT-ZDUSSCGKSA-N 1 0 269.410 2.380 10 0 CEAERO CC[C@@H]([NH2+]C)[C@H](C)Sc1nnc2ccccn21 ZINC000081881101 177876256 /nfs/dbraw/zinc/87/62/56/177876256.db2.gz RKWFBPHLMCODBE-VHSXEESVSA-N 1 0 250.371 2.208 10 0 CEAERO CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1SCC(=O)OC ZINC000081794024 177861497 /nfs/dbraw/zinc/86/14/97/177861497.db2.gz KAVMEYIHYJCPFL-SRVKXCTJSA-N 1 0 259.415 2.449 10 0 CEAERO COC(=O)CCS[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000081790883 177859620 /nfs/dbraw/zinc/85/96/20/177859620.db2.gz NVXVYQOTRNMUPH-MFKMUULPSA-N 1 0 253.367 2.371 10 0 CEAERO Clc1cncc(OC[C@@H]2CC[C@@H](C[NH2+]C3CC3)O2)c1 ZINC000081702102 177841313 /nfs/dbraw/zinc/84/13/13/177841313.db2.gz LFUWXDSIFYSCSV-STQMWFEESA-N 1 0 282.771 2.413 10 0 CEAERO [NH3+]CCC[C@@H]1CCCN1c1nccc(C(F)(F)F)n1 ZINC000081588654 177825533 /nfs/dbraw/zinc/82/55/33/177825533.db2.gz CWTLPDILBYSJTE-SECBINFHSA-N 1 0 274.290 2.203 10 0 CEAERO CC[C@H]1CCCN(C(=O)N[C@@H]2CCC[N@H+](CC)C2)C1 ZINC000194176350 270293804 /nfs/dbraw/zinc/29/38/04/270293804.db2.gz QRDIOXDUXNEWDP-UONOGXRCSA-N 1 0 267.417 2.302 10 0 CEAERO COCC[NH2+]CC1(c2ccc(F)cc2F)CCOCC1 ZINC000080964053 177741224 /nfs/dbraw/zinc/74/12/24/177741224.db2.gz BPTCRQRMTNTMGR-UHFFFAOYSA-N 1 0 285.334 2.249 10 0 CEAERO CCCN(C[C@@H](C(=O)OC)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000080960826 177741065 /nfs/dbraw/zinc/74/10/65/177741065.db2.gz CXKXVHLJWXCYBR-HZPDHXFCSA-N 1 0 290.407 2.017 10 0 CEAERO C[C@@H]1C[N@H+](C)C[C@]1(O)c1ccc(Br)cc1 ZINC000521401980 256845224 /nfs/dbraw/zinc/84/52/24/256845224.db2.gz UPXSLLBSSCNPTI-BXKDBHETSA-N 1 0 270.170 2.218 10 0 CEAERO Oc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCc1nnc[nH]1 ZINC000080568617 177671466 /nfs/dbraw/zinc/67/14/66/177671466.db2.gz UVHCAQOCXKHNPM-AWEZNQCLSA-N 1 0 272.352 2.110 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N[C@@H](CC)c1nccs1 ZINC000080268747 177634037 /nfs/dbraw/zinc/63/40/37/177634037.db2.gz DIXLOTKEXNKOFB-VIFPVBQESA-N 1 0 255.387 2.099 10 0 CEAERO CC[NH2+][C@]1(CO)CCC[C@@H]1CCN(C)CC(F)(F)F ZINC000093617110 184696176 /nfs/dbraw/zinc/69/61/76/184696176.db2.gz BLBYKLFOGNTHRD-NEPJUHHUSA-N 1 0 282.350 2.011 10 0 CEAERO [NH3+][C@]1(CO)CCC[C@@H]1CCOc1cc(F)ccc1F ZINC000093619426 184696633 /nfs/dbraw/zinc/69/66/33/184696633.db2.gz NLCZKSNNIXHJLD-YGRLFVJLSA-N 1 0 271.307 2.224 10 0 CEAERO Cc1cc(C)n(CC[C@H]2CCC[C@@]2(CO)[NH2+]C2CC2)n1 ZINC000093618710 184696654 /nfs/dbraw/zinc/69/66/54/184696654.db2.gz XYXZNUGERKMJGL-ZBFHGGJFSA-N 1 0 277.412 2.173 10 0 CEAERO C[NH2+][C@H]1CCC[C@@H]1CCS(=O)(=O)c1cccc(OC)c1 ZINC000093623028 184697562 /nfs/dbraw/zinc/69/75/62/184697562.db2.gz KDJCHHYJMZTZDP-DOMZBBRYSA-N 1 0 297.420 2.247 10 0 CEAERO C[NH2+][C@@H]1CCC[C@@H]1CCS(=O)(=O)c1ccccc1 ZINC000093622699 184697732 /nfs/dbraw/zinc/69/77/32/184697732.db2.gz TWUAXKURGKWDLF-TZMCWYRMSA-N 1 0 267.394 2.239 10 0 CEAERO CCCCS(=O)(=O)CC[C@H]1CCC[C@H]1[NH2+]CC ZINC000093623614 184697847 /nfs/dbraw/zinc/69/78/47/184697847.db2.gz BWXDERMAENQMKD-CHWSQXEVSA-N 1 0 261.431 2.370 10 0 CEAERO Cc1cccc(CS(=O)(=O)CC[C@H]2CCC[C@H]2[NH3+])c1 ZINC000093623854 184697905 /nfs/dbraw/zinc/69/79/05/184697905.db2.gz JAYUOOXFCKRVKF-HUUCEWRRSA-N 1 0 281.421 2.427 10 0 CEAERO Cn1ccnc1SCC[C@@H]1CCC[C@@]1(CO)[NH2+]C1CC1 ZINC000093623819 184697986 /nfs/dbraw/zinc/69/79/86/184697986.db2.gz WUUXYYFQWAQFII-WFASDCNBSA-N 1 0 295.452 2.186 10 0 CEAERO CC(C)[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCOc1ccccc1 ZINC000093625007 184698132 /nfs/dbraw/zinc/69/81/32/184698132.db2.gz SZWVCQUBEDXHOS-RHSMWYFYSA-N 1 0 290.407 2.478 10 0 CEAERO CCC(CC)(C[NH2+]C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701525 184708165 /nfs/dbraw/zinc/70/81/65/184708165.db2.gz BBMOKQZJTWFLEE-ZDUSSCGKSA-N 1 0 290.473 2.074 10 0 CEAERO C[NH2+][C@]1(C(=O)[O-])CCC[C@@H]([N@H+](CC(C)C)C2CC2)C1 ZINC000093751829 184714055 /nfs/dbraw/zinc/71/40/55/184714055.db2.gz OUGHXVLBRDCEFL-UKRRQHHQSA-N 1 0 268.401 2.092 10 0 CEAERO C[NH2+][C@]1(CO)CCC[C@@H](Oc2ccccc2F)C1 ZINC000093785411 184721922 /nfs/dbraw/zinc/72/19/22/184721922.db2.gz OQCGRTAFIHGFPQ-BXUZGUMPSA-N 1 0 253.317 2.098 10 0 CEAERO CC(C)[NH2+][C@@]1(CO)CCC[C@@H](Sc2cnccn2)C1 ZINC000093786252 184722227 /nfs/dbraw/zinc/72/22/27/184722227.db2.gz QSAWGCZAQSFJRZ-OCCSQVGLSA-N 1 0 281.425 2.240 10 0 CEAERO CC[NH2+][C@H]1CC[C@H](Oc2ccc3c(c2)CCC(=O)N3)C1 ZINC000093798418 184723203 /nfs/dbraw/zinc/72/32/03/184723203.db2.gz WHDATPUKPJOUKL-JSGCOSHPSA-N 1 0 274.364 2.481 10 0 CEAERO CCC[NH2+][C@H](c1cnccc1C)[C@@H]1CN(CC)CCO1 ZINC000093915518 184741876 /nfs/dbraw/zinc/74/18/76/184741876.db2.gz HAHLRXRAZCCPAD-JKSUJKDBSA-N 1 0 277.412 2.151 10 0 CEAERO CC[NH2+][C@@H](CCC(F)(F)F)[C@@H]1CN(C(C)C)CCO1 ZINC000093927248 184744650 /nfs/dbraw/zinc/74/46/50/184744650.db2.gz SLNVQTVJDSGYNH-RYUDHWBXSA-N 1 0 282.350 2.416 10 0 CEAERO CC[NH2+][C@H](Cc1cccc(F)c1)[C@H]1CN(C(C)C)CCO1 ZINC000093927388 184744667 /nfs/dbraw/zinc/74/46/67/184744667.db2.gz GCSOACNYDQFYEU-IAGOWNOFSA-N 1 0 294.414 2.456 10 0 CEAERO CCOC(=O)c1cc(OCC(C)(C)[NH+](C)C)ccc1N ZINC000093955299 184745945 /nfs/dbraw/zinc/74/59/45/184745945.db2.gz NWIABCYEQCDFAT-UHFFFAOYSA-N 1 0 280.368 2.165 10 0 CEAERO CC1CCN(C(=O)N(CC2CC[NH2+]CC2)C2CC2)CC1 ZINC000094023680 184751027 /nfs/dbraw/zinc/75/10/27/184751027.db2.gz QOCQKFGPUHCNAT-UHFFFAOYSA-N 1 0 279.428 2.302 10 0 CEAERO CCC(C)(C)C(=O)N(CC1CC[NH2+]CC1)C1CC1 ZINC000094023409 184751282 /nfs/dbraw/zinc/75/12/82/184751282.db2.gz PQBAAIRLJRBGMR-UHFFFAOYSA-N 1 0 252.402 2.413 10 0 CEAERO CC[C@H](C)n1ccc(CN2CCC(OCCC[NH3+])CC2)n1 ZINC000094072192 184754157 /nfs/dbraw/zinc/75/41/57/184754157.db2.gz IOTYMXVTQHYTRS-AWEZNQCLSA-N 1 0 294.443 2.184 10 0 CEAERO CNC(=O)Nc1ccc(NC2CCC([NH3+])CC2)cc1 ZINC000094081152 184754381 /nfs/dbraw/zinc/75/43/81/184754381.db2.gz TXYBHBDPKVFACN-UHFFFAOYSA-N 1 0 262.357 2.120 10 0 CEAERO CCc1ccc(C[C@@](O)([C@H]([NH3+])CC)C(F)(F)F)nc1 ZINC000094110086 184755310 /nfs/dbraw/zinc/75/53/10/184755310.db2.gz KBTLIQMZYRDPPL-VXGBXAGGSA-N 1 0 276.302 2.217 10 0 CEAERO CCC[NH2+][C@H]([C@@H]1COCCO1)[C@@H]1CCCc2cccnc21 ZINC000094136324 184755774 /nfs/dbraw/zinc/75/57/74/184755774.db2.gz FSWGETAOWQUJND-VYDXJSESSA-N 1 0 290.407 2.285 10 0 CEAERO CC(C)C[NH2+]C[C@@](C)(O)[C@@H]1CCCc2cccnc21 ZINC000094140947 184756008 /nfs/dbraw/zinc/75/60/08/184756008.db2.gz WWZXBZXHWUWULA-GDBMZVCRSA-N 1 0 262.397 2.498 10 0 CEAERO C[NH2+][C@@H](CSC1CCCC1)Cc1nccn1C ZINC000094161065 184757915 /nfs/dbraw/zinc/75/79/15/184757915.db2.gz PZOCYAMASCNZCY-LLVKDONJSA-N 1 0 253.415 2.226 10 0 CEAERO CCn1c2ccccc2nc1C[C@@]1(O)CCC[N@H+](C)CC1 ZINC000094168458 184758884 /nfs/dbraw/zinc/75/88/84/184758884.db2.gz NTISWOKBNASSCI-QGZVFWFLSA-N 1 0 287.407 2.446 10 0 CEAERO CCn1c(C[C@H]([NH3+])[C@H]2CCCO2)nc2ccccc21 ZINC000094171541 184759098 /nfs/dbraw/zinc/75/90/98/184759098.db2.gz PTKBDCAMEKEVBD-SMDDNHRTSA-N 1 0 259.353 2.105 10 0 CEAERO C[NH2+][C@H](C)c1ccccc1NC(=O)[C@@H]1CCO[C@@H]1C ZINC000094175126 184759647 /nfs/dbraw/zinc/75/96/47/184759647.db2.gz HEZIWOJZRUGURP-NQBHXWOUSA-N 1 0 262.353 2.331 10 0 CEAERO CC[C@](C)([NH3+])C(=O)Nc1cccc(NC(=O)C(C)C)c1 ZINC000094233404 184766982 /nfs/dbraw/zinc/76/69/82/184766982.db2.gz DOZFAEYBKCSTFX-HNNXBMFYSA-N 1 0 277.368 2.347 10 0 CEAERO CC[C@](C)([NH3+])C(=O)Nc1ccc(C(=O)OC(C)C)cc1 ZINC000094232639 184767158 /nfs/dbraw/zinc/76/71/58/184767158.db2.gz PVDACOOSVXIUMA-HNNXBMFYSA-N 1 0 278.352 2.318 10 0 CEAERO Cc1cscc1C(=O)N1C[C@H](C[NH3+])CC[C@@H]1C ZINC000094248360 184769683 /nfs/dbraw/zinc/76/96/83/184769683.db2.gz POAIEKMCUZSSHY-QWRGUYRKSA-N 1 0 252.383 2.256 10 0 CEAERO CC[NH2+][C@@H](Cc1nccs1)[C@@](C)(CC)N1CCOCC1 ZINC000094253572 184770186 /nfs/dbraw/zinc/77/01/86/184770186.db2.gz WVTDUVZNHIRZMR-DZGCQCFKSA-N 1 0 297.468 2.165 10 0 CEAERO Cc1nnc(S[C@@H]2CCCC(C)(C)[C@H]2[NH3+])n1C ZINC000094284065 184775356 /nfs/dbraw/zinc/77/53/56/184775356.db2.gz QEIZQXHQDDTPOW-ZJUUUORDSA-N 1 0 254.403 2.122 10 0 CEAERO CC(C)CN(CC(F)(F)F)C(=O)CC1([NH3+])CCC1 ZINC000094294583 184777226 /nfs/dbraw/zinc/77/72/26/184777226.db2.gz GEMWSKORBDSEDV-UHFFFAOYSA-N 1 0 266.307 2.305 10 0 CEAERO CC(C)[NH2+]Cc1cc(F)c(OC[C@@H](C)O)c(F)c1 ZINC000094347334 184786278 /nfs/dbraw/zinc/78/62/78/184786278.db2.gz WLSMSPZDTLOOKB-SECBINFHSA-N 1 0 259.296 2.222 10 0 CEAERO c1csc(CC[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c1 ZINC000094366273 184789841 /nfs/dbraw/zinc/78/98/41/184789841.db2.gz HZWCIWPLRPVZMR-JSGCOSHPSA-N 1 0 267.394 2.218 10 0 CEAERO OC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000094374593 184790922 /nfs/dbraw/zinc/79/09/22/184790922.db2.gz NRVQUVMSSFCECX-OWCLPIDISA-N 1 0 297.439 2.103 10 0 CEAERO C[NH+](C)C1(C(=O)[C@@H]2CCOC3(CCOCC3)C2)CCCC1 ZINC000094394193 184792634 /nfs/dbraw/zinc/79/26/34/184792634.db2.gz NOKXFGIJRXTKOQ-CQSZACIVSA-N 1 0 295.423 2.406 10 0 CEAERO C[NH2+][C@H](C(OC)OC)[C@@H]1CCOC2(CCCCC2)C1 ZINC000094407881 184793889 /nfs/dbraw/zinc/79/38/89/184793889.db2.gz BSCIBLHRLWWKCQ-OLZOCXBDSA-N 1 0 271.401 2.323 10 0 CEAERO Cc1ccc(CN(C)C(=O)[C@H]2CCCCC[C@@H]2[NH3+])o1 ZINC000094749830 184852148 /nfs/dbraw/zinc/85/21/48/184852148.db2.gz UYYZSCWBOOKSPY-KBPBESRZSA-N 1 0 264.369 2.454 10 0 CEAERO [NH3+][C@H]1CCCCC[C@H]1C(=O)Nc1ccc2n[nH]cc2c1 ZINC000094750507 184852517 /nfs/dbraw/zinc/85/25/17/184852517.db2.gz VMIYBYCFYLPWBP-OLZOCXBDSA-N 1 0 272.352 2.409 10 0 CEAERO Cc1nc([C@]2(C)CCCO2)nc(C)c1CC[NH2+]C1CC1 ZINC000094785736 184864065 /nfs/dbraw/zinc/86/40/65/184864065.db2.gz ZBVHZDSHXIVYTA-INIZCTEOSA-N 1 0 275.396 2.414 10 0 CEAERO CC1(C)CSC[C@H]([NH2+][C@H]2CCN(C3CC3)C2)C1 ZINC000094488626 184809174 /nfs/dbraw/zinc/80/91/74/184809174.db2.gz OQKJHPWUXDGQDQ-NWDGAFQWSA-N 1 0 254.443 2.344 10 0 CEAERO COc1ccc(Cl)cc1C[C@@H]([NH3+])[C@H]1CSCCO1 ZINC000094502367 184810820 /nfs/dbraw/zinc/81/08/20/184810820.db2.gz BBEIQYBXCUDVPT-DGCLKSJQSA-N 1 0 287.812 2.350 10 0 CEAERO CC[C@@H](CC[NH3+])CCc1nc([C@H]2CSCCO2)no1 ZINC000094502199 184811137 /nfs/dbraw/zinc/81/11/37/184811137.db2.gz UDMFSYAVBXIVSK-GHMZBOCLSA-N 1 0 285.413 2.182 10 0 CEAERO CC[NH2+][C@@H](c1cccc(OC)c1)[C@@H]1CSCCO1 ZINC000094503397 184811815 /nfs/dbraw/zinc/81/18/15/184811815.db2.gz KPUAMNSMQRNRHS-KBPBESRZSA-N 1 0 267.394 2.478 10 0 CEAERO C[C@H]1C[C@H]([NH3+])CN(C(=O)Nc2ccc(F)cc2)C1 ZINC000094550006 184817207 /nfs/dbraw/zinc/81/72/07/184817207.db2.gz GGQRUWVHSWJVRL-ONGXEEELSA-N 1 0 251.305 2.027 10 0 CEAERO Cc1ccc(NC(=O)[C@H]2CC[C@H](C[NH3+])O2)cc1Cl ZINC000094562685 184818263 /nfs/dbraw/zinc/81/82/63/184818263.db2.gz DTVJFVVBWPVHCP-ZYHUDNBSSA-N 1 0 268.744 2.093 10 0 CEAERO Cc1ccc(Cc2noc([C@@H]3CC[C@@H](C[NH3+])O3)n2)cc1 ZINC000094560969 184818595 /nfs/dbraw/zinc/81/85/95/184818595.db2.gz FXHPCPARLWOQSZ-STQMWFEESA-N 1 0 273.336 2.148 10 0 CEAERO CC(C)c1ccc([C@H](C)NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc1 ZINC000094566488 184819057 /nfs/dbraw/zinc/81/90/57/184819057.db2.gz SULQZJJCDHSWPB-MAZHCROVSA-N 1 0 290.407 2.494 10 0 CEAERO C[C@@H]([NH3+])c1cccc(O[C@H]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000094634549 184830323 /nfs/dbraw/zinc/83/03/23/184830323.db2.gz UKYPDVKSJDSAIC-BYCMXARLSA-N 1 0 297.420 2.441 10 0 CEAERO CS(=O)(=O)[C@H]1CCC[C@H](CCC[NH2+]C2CC2)C1 ZINC000094644560 184831876 /nfs/dbraw/zinc/83/18/76/184831876.db2.gz STFQMIMAIUNHPK-YPMHNXCESA-N 1 0 259.415 2.122 10 0 CEAERO C[NH2+][C@H]([C@@H]1CCC[C@H](S(C)(=O)=O)C1)C(C)(C)C ZINC000094641811 184832362 /nfs/dbraw/zinc/83/23/62/184832362.db2.gz BNQGMPUDYBSVGK-GRYCIOLGSA-N 1 0 261.431 2.224 10 0 CEAERO Cc1cc(F)ccc1NC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000094647039 184833000 /nfs/dbraw/zinc/83/30/00/184833000.db2.gz UUBHPTIAUVMTHU-PWSUYJOCSA-N 1 0 250.317 2.461 10 0 CEAERO CCCOc1ccc(C[NH2+]C)c(O[C@@H](C)[C@@H](C)O)c1 ZINC000094652919 184834857 /nfs/dbraw/zinc/83/48/57/184834857.db2.gz ZXYHGEXUTZYPCO-NEPJUHHUSA-N 1 0 267.369 2.343 10 0 CEAERO Cc1ccc(NC(=O)CO[C@H]2CCC[NH2+][C@H]2C)cc1 ZINC000094673520 184837522 /nfs/dbraw/zinc/83/75/22/184837522.db2.gz DFFBZBQVRODQLT-JSGCOSHPSA-N 1 0 262.353 2.091 10 0 CEAERO CC1(C)C[NH2+][C@H](C2CC2)CN1Cc1ccc(O)cc1 ZINC000094690394 184839755 /nfs/dbraw/zinc/83/97/55/184839755.db2.gz CWQQCDBAEJNVPV-HNNXBMFYSA-N 1 0 260.381 2.355 10 0 CEAERO [NH3+][C@]1(Cc2ccc(O)cc2)COc2ccccc2C1 ZINC000094691336 184840260 /nfs/dbraw/zinc/84/02/60/184840260.db2.gz ZKCKTURLYYRIBE-INIZCTEOSA-N 1 0 255.317 2.267 10 0 CEAERO CC(C)C[C@H](C[NH3+])C(=O)NCCOC1CCCCC1 ZINC000094700449 184842413 /nfs/dbraw/zinc/84/24/13/184842413.db2.gz YGRDFMMWVCRAAA-CYBMUJFWSA-N 1 0 270.417 2.073 10 0 CEAERO Cc1noc(C)c1[C@H](C)NC(=O)[C@@H](C[NH3+])CC(C)C ZINC000094700983 184842862 /nfs/dbraw/zinc/84/28/62/184842862.db2.gz SFYFAGUKPXGWCY-JOYOIKCWSA-N 1 0 267.373 2.090 10 0 CEAERO CN(C(=O)Cc1cccc(F)c1F)[C@H]1CCC[C@H]1C[NH3+] ZINC000094713657 184845348 /nfs/dbraw/zinc/84/53/48/184845348.db2.gz PNKWYHTYCNZRRI-AAEUAGOBSA-N 1 0 282.334 2.093 10 0 CEAERO CCN(C(=O)Cc1cccc(F)c1F)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000094713658 184845690 /nfs/dbraw/zinc/84/56/90/184845690.db2.gz IEIYIVPIOKPPBG-TZMCWYRMSA-N 1 0 296.361 2.483 10 0 CEAERO Cc1cc(C)cc(C[S@](=O)C[C@@H]([NH3+])C2CC2)c1 ZINC000094720375 184847028 /nfs/dbraw/zinc/84/70/28/184847028.db2.gz CZXFECHBAUAZJO-RHSMWYFYSA-N 1 0 251.395 2.289 10 0 CEAERO CCC[C@H]1C[NH2+][C@H](C2CC2)CN1Cc1nccs1 ZINC000094980432 184910172 /nfs/dbraw/zinc/91/01/72/184910172.db2.gz VZQRRRIYWIVOFK-STQMWFEESA-N 1 0 265.426 2.496 10 0 CEAERO Cc1nc(CN2CC(C)(C)[NH2+]C[C@@H]2C)sc1C ZINC000094979612 184910415 /nfs/dbraw/zinc/91/04/15/184910415.db2.gz NJGFMDUBBYMBII-VIFPVBQESA-N 1 0 253.415 2.332 10 0 CEAERO COc1ncccc1COC[C@H]1CCCC[C@H]1C[NH3+] ZINC000095008967 184914096 /nfs/dbraw/zinc/91/40/96/184914096.db2.gz TYVZFFNIIYTOHK-QWHCGFSZSA-N 1 0 264.369 2.372 10 0 CEAERO CC[C@H]1CN(Cc2cccnc2OC)[C@@](C)(CC)C[NH2+]1 ZINC000095011444 184915318 /nfs/dbraw/zinc/91/53/18/184915318.db2.gz OGAFUMDEUYFPJE-HOCLYGCPSA-N 1 0 277.412 2.443 10 0 CEAERO CC[C@]1(C)C[NH2+]C(C)(C)CN1Cc1cccnc1OC ZINC000095011404 184915597 /nfs/dbraw/zinc/91/55/97/184915597.db2.gz VYDLYDSQYQHVGT-MRXNPFEDSA-N 1 0 277.412 2.443 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@H]1CNC(=O)Cc1c(F)cccc1F ZINC000095061985 184926836 /nfs/dbraw/zinc/92/68/36/184926836.db2.gz RVAOOEMUMGAHLI-NEPJUHHUSA-N 1 0 296.361 2.389 10 0 CEAERO Brc1ccc(COC2CC[NH2+]CC2)cn1 ZINC000095092433 184941993 /nfs/dbraw/zinc/94/19/93/184941993.db2.gz HPRWWDJKMCRPGA-UHFFFAOYSA-N 1 0 271.158 2.113 10 0 CEAERO [NH3+]C1CCC(OCCNc2ncnc3c2CCCC3)CC1 ZINC000094872514 184885408 /nfs/dbraw/zinc/88/54/08/184885408.db2.gz AIODTBOEWXJZSM-UHFFFAOYSA-N 1 0 290.411 2.054 10 0 CEAERO CC[NH2+][C@@H]1CCCN(Cc2cscc2C)C1=O ZINC000094884883 184887292 /nfs/dbraw/zinc/88/72/92/184887292.db2.gz NORZDZUSXOLYBS-GFCCVEGCSA-N 1 0 252.383 2.157 10 0 CEAERO CC(C)CC1(C(=O)N2CCCN(CC[NH3+])CC2)CCCC1 ZINC000094897316 184889327 /nfs/dbraw/zinc/88/93/27/184889327.db2.gz HFBSKTBVTKXCSV-UHFFFAOYSA-N 1 0 295.471 2.086 10 0 CEAERO CC1([C@H](O)[C@@H](C[NH3+])c2ccc3c(c2)OCCO3)CCCC1 ZINC000094909816 184890938 /nfs/dbraw/zinc/89/09/38/184890938.db2.gz SRCAEYVYFMILNT-XJKSGUPXSA-N 1 0 291.391 2.441 10 0 CEAERO Cc1cccc(CN(C)c2nc(C)cc(C)c2C(N)=[NH2+])n1 ZINC000094916969 184892730 /nfs/dbraw/zinc/89/27/30/184892730.db2.gz TUTBJHLYDKBJFU-UHFFFAOYSA-N 1 0 283.379 2.322 10 0 CEAERO CC[C@@H](CCO)C[NH2+][C@H](C)c1c(C)nn(C)c1C ZINC000094948833 184901287 /nfs/dbraw/zinc/90/12/87/184901287.db2.gz XKJRLQLVXAVMLQ-MFKMUULPSA-N 1 0 253.390 2.096 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)C2(C[NH3+])CCOCC2)cc1F ZINC000094960767 184906192 /nfs/dbraw/zinc/90/61/92/184906192.db2.gz RFYZHBAZDNBINB-LBPRGKRZSA-N 1 0 294.370 2.067 10 0 CEAERO COCC[NH2+]C[C@@H]1CCCCN1Cc1nc(C)cs1 ZINC000094967505 184907139 /nfs/dbraw/zinc/90/71/39/184907139.db2.gz JKTQEFVXQMDPTL-ZDUSSCGKSA-N 1 0 283.441 2.042 10 0 CEAERO CCC(CC)([C@H](N)Cc1nc(C)cs1)[NH+](C)C ZINC000094974269 184909041 /nfs/dbraw/zinc/90/90/41/184909041.db2.gz HEIKEZGWKMQFLQ-LLVKDONJSA-N 1 0 255.431 2.442 10 0 CEAERO COC(=O)C1CCC([NH2+]C[C@H]2CCCN2CC(C)C)CC1 ZINC000192446044 533280466 /nfs/dbraw/zinc/28/04/66/533280466.db2.gz JRNUEKXPCPJNTC-UYSNPLJNSA-N 1 0 296.455 2.428 10 0 CEAERO Cc1cncc(C[NH+]2CCC(Nc3cccnn3)CC2)c1 ZINC000189871568 130033578 /nfs/dbraw/zinc/03/35/78/130033578.db2.gz CVDVAIXOAOBRQD-UHFFFAOYSA-N 1 0 283.379 2.257 10 0 CEAERO c1nc2n(n1)CCC[C@@H]2[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000191104935 130183416 /nfs/dbraw/zinc/18/34/16/130183416.db2.gz ZAYTWUGAZXAMLS-HNNXBMFYSA-N 1 0 298.390 2.270 10 0 CEAERO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC(C[NH3+])CC1 ZINC000237631151 131048792 /nfs/dbraw/zinc/04/87/92/131048792.db2.gz JJICFKWYAQLJDM-HOTGVXAUSA-N 1 0 272.392 2.296 10 0 CEAERO O=C(Nc1nc(-c2cccc(O)c2)cs1)[C@H]1CCC[NH2+]1 ZINC000237989247 131071327 /nfs/dbraw/zinc/07/13/27/131071327.db2.gz XDNBQNHVFLKVIW-LLVKDONJSA-N 1 0 289.360 2.206 10 0 CEAERO O=C(C1CC[NH2+]CC1)N(Cc1ccco1)Cc1cccnc1 ZINC000238103160 131076700 /nfs/dbraw/zinc/07/67/00/131076700.db2.gz HSQKOVGMQSFNMI-UHFFFAOYSA-N 1 0 299.374 2.203 10 0 CEAERO C[C@@H]1CN(c2cc(Cl)nc(C3CC3)n2)C[C@H]1[NH+](C)C ZINC000251779794 131132144 /nfs/dbraw/zinc/13/21/44/131132144.db2.gz MWFYFKSWQPSIKG-MWLCHTKSSA-N 1 0 280.803 2.394 10 0 CEAERO C[C@H]1CN(Cc2ccc(Br)cn2)C[C@H]1[NH+](C)C ZINC000252834415 131138828 /nfs/dbraw/zinc/13/88/28/131138828.db2.gz RCWMJGQYOIKYLR-GXFFZTMASA-N 1 0 298.228 2.226 10 0 CEAERO CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C ZINC000262115135 131192226 /nfs/dbraw/zinc/19/22/26/131192226.db2.gz IHFVMMRBAJSGNI-LEWSCRJBSA-N 1 0 282.359 2.001 10 0 CEAERO CCC[C@@](C)([NH3+])C(=O)Nc1cccc(C[S@@](C)=O)c1 ZINC000262717042 131255406 /nfs/dbraw/zinc/25/54/06/131255406.db2.gz VZOBATWBZGVOQI-AUUYWEPGSA-N 1 0 282.409 2.021 10 0 CEAERO [NH3+]C[C@H](CN1c2ccccc2OCC1=O)c1ccccc1 ZINC000080783565 134496301 /nfs/dbraw/zinc/49/63/01/134496301.db2.gz ILGPDTHMZYKYJD-CQSZACIVSA-N 1 0 282.343 2.155 10 0 CEAERO [NH3+][C@H]1CCCN(c2ccc(-c3cc(F)cc(F)c3)nn2)C1 ZINC000070458515 134949328 /nfs/dbraw/zinc/94/93/28/134949328.db2.gz MHRPCPNJQBDIAF-ZDUSSCGKSA-N 1 0 290.317 2.349 10 0 CEAERO CC[NH2+][C@](CO)(CN1CCCc2ccccc21)C1CC1 ZINC000070513012 134952442 /nfs/dbraw/zinc/95/24/42/134952442.db2.gz GVVGALGKHYVVPA-KRWDZBQOSA-N 1 0 274.408 2.190 10 0 CEAERO CC[NH2+][C@H]1CCN(S(=O)(=O)C(F)F)c2ccccc21 ZINC000071325064 134963628 /nfs/dbraw/zinc/96/36/28/134963628.db2.gz VHVLHXIMUPZZMV-JTQLQIEISA-N 1 0 290.335 2.100 10 0 CEAERO C[C@H]1C[NH2+]CCN1c1ccc(F)cc1Br ZINC000083086688 135013992 /nfs/dbraw/zinc/01/39/92/135013992.db2.gz CKPGBEGDVRBTFK-QMMMGPOBSA-N 1 0 273.149 2.386 10 0 CEAERO C[C@@H]1CN(c2ccc(F)cc2Br)CC[NH2+]1 ZINC000083061212 135014196 /nfs/dbraw/zinc/01/41/96/135014196.db2.gz FZMFJELQTTZGLE-MRVPVSSYSA-N 1 0 273.149 2.386 10 0 CEAERO C[C@H]1CN(c2ccc(C(F)(F)F)nc2)[C@@H](C)C[NH2+]1 ZINC000083431692 135021095 /nfs/dbraw/zinc/02/10/95/135021095.db2.gz CQJKXZWJOGGURK-IUCAKERBSA-N 1 0 259.275 2.287 10 0 CEAERO C[C@H]1Cc2ccccc2N(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000085375354 135036480 /nfs/dbraw/zinc/03/64/80/135036480.db2.gz TUIRZGCMKNGZAL-YUTCNCBUSA-N 1 0 258.365 2.339 10 0 CEAERO C[C@@H]1C[NH2+][C@H](C2CC2)CN1c1ccc(N(C)C)cc1 ZINC000086219020 135039822 /nfs/dbraw/zinc/03/98/22/135039822.db2.gz RDUCPYBNVNSWMO-WBMJQRKESA-N 1 0 259.397 2.329 10 0 CEAERO [NH3+][C@@H]1CCCN(c2cncc(OCCC3CC3)c2)C1 ZINC000088493431 135054626 /nfs/dbraw/zinc/05/46/26/135054626.db2.gz FPLCCGUUZFAEJK-CYBMUJFWSA-N 1 0 261.369 2.188 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@H]1Nc1ccc(N2CCOCC2)cc1 ZINC000089140359 135058244 /nfs/dbraw/zinc/05/82/44/135058244.db2.gz RGCMZWYDBVXJPW-RHSMWYFYSA-N 1 0 289.423 2.453 10 0 CEAERO C[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1ccco1 ZINC000089733168 135060360 /nfs/dbraw/zinc/06/03/60/135060360.db2.gz KYSIUIVHHLVCOI-OLZOCXBDSA-N 1 0 272.352 2.389 10 0 CEAERO CC[C@@H]([NH3+])CSCC(=O)N1CCCc2ccccc21 ZINC000090356361 135063151 /nfs/dbraw/zinc/06/31/51/135063151.db2.gz XMRLIPBBYQFWJO-CYBMUJFWSA-N 1 0 278.421 2.436 10 0 CEAERO CC1(C)C[NH2+]CCN1c1cc(C(F)(F)F)ccn1 ZINC000090804075 135065735 /nfs/dbraw/zinc/06/57/35/135065735.db2.gz VZNMMUKXAQHLHL-UHFFFAOYSA-N 1 0 259.275 2.289 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(c2ccc(N)c3cnccc32)C1 ZINC000091392819 135068228 /nfs/dbraw/zinc/06/82/28/135068228.db2.gz OFXMOGDMZNIPIP-GFCCVEGCSA-N 1 0 270.380 2.347 10 0 CEAERO [NH3+][C@H]1CC[C@@H](C(=O)N2CCSc3ccccc32)C1 ZINC000091549078 135072081 /nfs/dbraw/zinc/07/20/81/135072081.db2.gz AEMJGPJOZBTCDT-MNOVXSKESA-N 1 0 262.378 2.253 10 0 CEAERO CC[C@](C)(C[NH3+])[C@@H](O)c1ccc2c(c1)CCCN2C ZINC000091909776 135074563 /nfs/dbraw/zinc/07/45/63/135074563.db2.gz IZCOWRRFEWRKET-JKSUJKDBSA-N 1 0 262.397 2.477 10 0 CEAERO Cc1cccc(COc2ccccc2N2CC[NH2+]CC2)n1 ZINC000092432399 135076087 /nfs/dbraw/zinc/07/60/87/135076087.db2.gz VQHDVFIDCISVSO-UHFFFAOYSA-N 1 0 283.375 2.379 10 0 CEAERO CCc1nc(N2CCCCC2)nc(CC)c1CC[NH3+] ZINC000092318204 135076362 /nfs/dbraw/zinc/07/63/62/135076362.db2.gz IPHQKZDVPGFFBF-UHFFFAOYSA-N 1 0 262.401 2.093 10 0 CEAERO Cc1cccc(N2CCN(C[C@@H]3CC[NH2+][C@H]3C)CC2)c1C ZINC000092957718 135077694 /nfs/dbraw/zinc/07/76/94/135077694.db2.gz TYMHCPRIEAWBAK-IRXDYDNUSA-N 1 0 287.451 2.423 10 0 CEAERO COc1cc(F)ccc1N1CC[C@H]([NH3+])[C@@H](C)[C@@H]1C ZINC000093034217 135078232 /nfs/dbraw/zinc/07/82/32/135078232.db2.gz WHNLHNAZVXLMIG-NHCYSSNCSA-N 1 0 252.333 2.396 10 0 CEAERO C[NH2+]C[C@@H](C)[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC000093068324 135079184 /nfs/dbraw/zinc/07/91/84/135079184.db2.gz LCVDUGBUOAOYIC-HUUCEWRRSA-N 1 0 261.413 2.053 10 0 CEAERO [NH3+][C@H]1CC[C@@H](N2CCN(c3ccccc3Cl)CC2)C1 ZINC000093221044 135079675 /nfs/dbraw/zinc/07/96/75/135079675.db2.gz GWYNLDIHVTWIRB-QWHCGFSZSA-N 1 0 279.815 2.342 10 0 CEAERO CC(=O)c1ccc(N2CC[N@@H+](C)C(C)(C)C2)cc1O ZINC000093669543 135081983 /nfs/dbraw/zinc/08/19/83/135081983.db2.gz RTQLVLUKPAZFLK-UHFFFAOYSA-N 1 0 262.353 2.125 10 0 CEAERO NC(=S)c1c(F)cccc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094440020 135087934 /nfs/dbraw/zinc/08/79/34/135087934.db2.gz YMZFNCOQMRYIEH-LLVKDONJSA-N 1 0 293.411 2.134 10 0 CEAERO CC(C)c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC(N)=O)cc1 ZINC000048433731 394517057 /nfs/dbraw/zinc/51/70/57/394517057.db2.gz RIRRMEOGOBWDHW-MNOVXSKESA-N 1 0 277.368 2.044 10 0 CEAERO COC(=O)[C@H](C)C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000020550772 394472839 /nfs/dbraw/zinc/47/28/39/394472839.db2.gz FBPCHYNRYWDGQP-QFGHMXTESA-N 1 0 251.370 2.354 10 0 CEAERO CC(C)CC1(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)CCCC1 ZINC000232564570 394481394 /nfs/dbraw/zinc/48/13/94/394481394.db2.gz LUGNXBWGEWSBNK-STQMWFEESA-N 1 0 252.402 2.399 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(C)nc1C ZINC000246465310 394516280 /nfs/dbraw/zinc/51/62/80/394516280.db2.gz AKBVYJHYTIKTKN-GJZGRUSLSA-N 1 0 287.407 2.397 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccccc1OC(F)F ZINC000044541647 394506475 /nfs/dbraw/zinc/50/64/75/394506475.db2.gz OTHSASVZKIVZMO-JTQLQIEISA-N 1 0 284.306 2.241 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NS(=O)(=O)CCC(C)(C)C)C1 ZINC000246482842 394516674 /nfs/dbraw/zinc/51/66/74/394516674.db2.gz WYCVGIWVBJYVNX-CHWSQXEVSA-N 1 0 290.473 2.071 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)NCCc2ccsc2)C1 ZINC000052525969 394558193 /nfs/dbraw/zinc/55/81/93/394558193.db2.gz WQGOKRJLLSMAAE-ZDUSSCGKSA-N 1 0 281.425 2.074 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCSCC[C@H]2C)C1 ZINC000253281263 394576920 /nfs/dbraw/zinc/57/69/20/394576920.db2.gz WODUGIDHADTUIZ-MCIONIFRSA-N 1 0 299.484 2.252 10 0 CEAERO CC(C)N1CCC[C@H]([N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)C1=O ZINC000247123023 394527258 /nfs/dbraw/zinc/52/72/58/394527258.db2.gz AMOLIRULAJVDIG-YQQAZPJKSA-N 1 0 294.439 2.013 10 0 CEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NC(C2CC2)C2CC2)C1 ZINC000247286987 394528235 /nfs/dbraw/zinc/52/82/35/394528235.db2.gz KQDMAIGIWXWTJY-SMDDNHRTSA-N 1 0 279.428 2.203 10 0 CEAERO CCC(C)(C)OCC[NH2+]Cc1c(C)nn(C)c1OC ZINC000308699363 394530423 /nfs/dbraw/zinc/53/04/23/394530423.db2.gz VYTMBJRNMYFHTB-UHFFFAOYSA-N 1 0 269.389 2.032 10 0 CEAERO C[C@@H](NC(=O)[C@H]1CC[C@@H](C)O1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248409966 394539804 /nfs/dbraw/zinc/53/98/04/394539804.db2.gz XNLBOCGALYJNGH-HGTKMLMNSA-N 1 0 294.439 2.323 10 0 CEAERO Cc1cc(Br)cnc1N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000086887087 394644759 /nfs/dbraw/zinc/64/47/59/394644759.db2.gz ZJLNYMFHIHGFOU-MWLCHTKSSA-N 1 0 284.201 2.326 10 0 CEAERO Clc1ccccc1C[NH2+]C[C@H]1Cn2ccnc2CO1 ZINC000096296262 394678745 /nfs/dbraw/zinc/67/87/45/394678745.db2.gz CXWWMZDBPOZKLH-LBPRGKRZSA-N 1 0 277.755 2.225 10 0 CEAERO CC1CCC(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000105076210 394721965 /nfs/dbraw/zinc/72/19/65/394721965.db2.gz ZEZIXHYGWGJWLF-NRXISQOPSA-N 1 0 279.428 2.445 10 0 CEAERO CC[N@H+](Cc1ccc2c(c1)OCO2)C[C@@](C)(O)CC ZINC000123051204 394822194 /nfs/dbraw/zinc/82/21/94/394822194.db2.gz BUNSMDBTQBAUSP-HNNXBMFYSA-N 1 0 265.353 2.398 10 0 CEAERO CCNc1ncc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)s1 ZINC000129743803 394873393 /nfs/dbraw/zinc/87/33/93/394873393.db2.gz HFQHEQXPPIACOK-LLVKDONJSA-N 1 0 298.456 2.281 10 0 CEAERO CC[C@@](C)(O)CN1CC[NH+](CC2CCCCC2)CC1 ZINC000123459382 394828310 /nfs/dbraw/zinc/82/83/10/394828310.db2.gz CTCSXOOQAIAYMT-MRXNPFEDSA-N 1 0 268.445 2.345 10 0 CEAERO C[NH+](C)CC(=O)N[C@H]1c2ccccc2CCC1(C)C ZINC000124119908 394836618 /nfs/dbraw/zinc/83/66/18/394836618.db2.gz MBHDVDXJROTWLV-HNNXBMFYSA-N 1 0 260.381 2.378 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc2ccncc21 ZINC000131155816 394904227 /nfs/dbraw/zinc/90/42/27/394904227.db2.gz NQQVGSSVXWHWTB-ZYHUDNBSSA-N 1 0 255.321 2.029 10 0 CEAERO CN(C)C1(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CCCC1 ZINC000131987026 394922727 /nfs/dbraw/zinc/92/27/27/394922727.db2.gz HZESFXSEIYGUHH-MJBXVCDLSA-N 1 0 266.429 2.264 10 0 CEAERO C[C@H]1CC[C@@H](C(=O)N2CCC(CCC[NH+](C)C)CC2)O1 ZINC000133320054 394949025 /nfs/dbraw/zinc/94/90/25/394949025.db2.gz UYMYFFMTQOVXEB-ZFWWWQNUSA-N 1 0 282.428 2.134 10 0 CEAERO C[C@@](O)(C[N@@H+]1CC[C@H](Oc2cccnc2)C1)c1ccccc1 ZINC000152330286 394993523 /nfs/dbraw/zinc/99/35/23/394993523.db2.gz 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CCCCO[C@@H](C)C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000176970488 165182326 /nfs/dbraw/zinc/18/23/26/165182326.db2.gz CCVTZZKNIKXHFW-KBPBESRZSA-N 1 0 270.417 2.134 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCOCCC(C)C ZINC000177442298 165201414 /nfs/dbraw/zinc/20/14/14/165201414.db2.gz UFHZBWBWXIPSPS-HNNXBMFYSA-N 1 0 299.459 2.175 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)NC1CCCCC1 ZINC000177696241 165205024 /nfs/dbraw/zinc/20/50/24/165205024.db2.gz SEECWBMAQFLXDA-GOEBONIOSA-N 1 0 295.471 2.240 10 0 CEAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)C(C)C)C1 ZINC000177841576 165211658 /nfs/dbraw/zinc/21/16/58/165211658.db2.gz INIDRUMBNCMANH-STQMWFEESA-N 1 0 255.406 2.014 10 0 CEAERO Cc1cc(C)c(OCC(=O)N[C@@H]2CCC[C@H]2C[NH3+])c(C)c1 ZINC000178152181 165224266 /nfs/dbraw/zinc/22/42/66/165224266.db2.gz NYJQXOPYHSPSNP-LSDHHAIUSA-N 1 0 290.407 2.234 10 0 CEAERO COCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)C1CCC1 ZINC000178492344 165244940 /nfs/dbraw/zinc/24/49/40/165244940.db2.gz JNZYQKRLHZQEPV-CMPLNLGQSA-N 1 0 264.373 2.038 10 0 CEAERO Cc1cc(O[C@@H](C)C(=O)NCC[C@@H](C)[NH3+])ccc1Cl ZINC000178675569 165251841 /nfs/dbraw/zinc/25/18/41/165251841.db2.gz FIIQJALOZLNFEY-MNOVXSKESA-N 1 0 284.787 2.269 10 0 CEAERO CCOCC[N@@H+]1CCN(Cc2ncc(C)s2)C[C@H]1CC ZINC000180477424 165310614 /nfs/dbraw/zinc/31/06/14/165310614.db2.gz FNOSXABLAHXDNR-CQSZACIVSA-N 1 0 297.468 2.384 10 0 CEAERO CCCCC[C@@H](CC)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000180862892 165320710 /nfs/dbraw/zinc/32/07/10/165320710.db2.gz PLODTHQISWELNI-HUUCEWRRSA-N 1 0 284.444 2.382 10 0 CEAERO Cc1oncc1C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000181746037 165353129 /nfs/dbraw/zinc/35/31/29/165353129.db2.gz MIEIXBPQTPNIBT-AWEZNQCLSA-N 1 0 259.309 2.031 10 0 CEAERO CCOC(=O)[C@@H](CC(C)C)N1CCS[C@H](C)C1 ZINC000182130316 165365924 /nfs/dbraw/zinc/36/59/24/165365924.db2.gz AJJOMWCUOKLVFR-VXGBXAGGSA-N 1 0 259.415 2.402 10 0 CEAERO C[N@@H+]1CCc2cccc3c2[C@H]1Cc1sc(N)nc1-3 ZINC000005140869 170070454 /nfs/dbraw/zinc/07/04/54/170070454.db2.gz HHCIBEMTUSEDSI-SNVBAGLBSA-N 1 0 257.362 2.477 10 0 CEAERO Cc1cc(N)ccc1NC(=O)C[N@H+]1CCCC[C@H]1C ZINC000005448090 170100160 /nfs/dbraw/zinc/10/01/60/170100160.db2.gz QCKYXVMMZQCPFM-GFCCVEGCSA-N 1 0 261.369 2.390 10 0 CEAERO CC[NH2+]C[C@H](O)c1cccc(OC(=O)C(C)(C)C)c1 ZINC000005853120 170147389 /nfs/dbraw/zinc/14/73/89/170147389.db2.gz DRMHNJGOEAYOIZ-ZDUSSCGKSA-N 1 0 265.353 2.281 10 0 in-man CEAERO [NH3+]C[C@H](c1cccc(F)c1)S(=O)(=O)c1ccccc1 ZINC000008031249 170315288 /nfs/dbraw/zinc/31/52/88/170315288.db2.gz HNXVOAUZTUHCLO-CQSZACIVSA-N 1 0 279.336 2.299 10 0 CEAERO CCOc1ccc2c(c1)C(=O)CC1(CC[NH2+]CC1)O2 ZINC000011849208 170446633 /nfs/dbraw/zinc/44/66/33/170446633.db2.gz RXCOJMXZCODKJS-UHFFFAOYSA-N 1 0 261.321 2.173 10 0 CEAERO CC(C)N(Cc1ccccc1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000019411412 170789570 /nfs/dbraw/zinc/78/95/70/170789570.db2.gz RZHQVJUBUXPGEW-HNNXBMFYSA-N 1 0 260.381 2.423 10 0 CEAERO CC[NH+](CC)CCCNC(=O)[C@@H]1CCc2ccccc2N1 ZINC000019433156 170798542 /nfs/dbraw/zinc/79/85/42/170798542.db2.gz CPEGREKQWBVARR-INIZCTEOSA-N 1 0 289.423 2.261 10 0 CEAERO CC(C)c1ccc(OCCCN2CC[NH2+]CC2)cc1 ZINC000019728653 170845850 /nfs/dbraw/zinc/84/58/50/170845850.db2.gz ROWOYZYJUCZGAJ-UHFFFAOYSA-N 1 0 262.397 2.484 10 0 CEAERO NC(=[NH2+])c1ccc(Oc2ccc3c(c2)OCO3)cc1 ZINC000019866370 170899786 /nfs/dbraw/zinc/89/97/86/170899786.db2.gz IYOFMRNHKVBIDO-UHFFFAOYSA-N 1 0 256.261 2.492 10 0 CEAERO CCC[NH+]1CCC(Nc2ccc(C(N)=O)cc2)CC1 ZINC000019911186 170921869 /nfs/dbraw/zinc/92/18/69/170921869.db2.gz QALXVKZITUEGAX-UHFFFAOYSA-N 1 0 261.369 2.072 10 0 CEAERO COc1ccc(C(=O)N(CC[NH3+])Cc2ccccc2)cc1 ZINC000020183616 171046600 /nfs/dbraw/zinc/04/66/00/171046600.db2.gz DBYFSPHMLZSVMY-UHFFFAOYSA-N 1 0 284.359 2.296 10 0 CEAERO Cc1ccccc1NS(=O)(=O)c1ccc(F)c(C[NH3+])c1 ZINC000020189211 171054782 /nfs/dbraw/zinc/05/47/82/171054782.db2.gz ORAGMIDSYCIGPL-UHFFFAOYSA-N 1 0 294.351 2.394 10 0 CEAERO COc1ccccc1CN(C)[C@H](C[NH3+])c1ccco1 ZINC000020225259 171087075 /nfs/dbraw/zinc/08/70/75/171087075.db2.gz KTEKBFNCSKDJPG-CYBMUJFWSA-N 1 0 260.337 2.420 10 0 CEAERO CN(CCC[NH3+])c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000020224820 171087136 /nfs/dbraw/zinc/08/71/36/171087136.db2.gz KZZOKRXYQVUKMY-UHFFFAOYSA-N 1 0 263.385 2.456 10 0 CEAERO C[C@@H]1CC[C@H](C(=O)N(C)Cc2cccc(F)c2)C[NH2+]1 ZINC000020293380 171134492 /nfs/dbraw/zinc/13/44/92/171134492.db2.gz NUMIRKXNEKOMCG-YPMHNXCESA-N 1 0 264.344 2.172 10 0 CEAERO Cc1ccc(NC(=O)[C@@H]2CC[C@@H](C)[NH2+]C2)c(F)c1 ZINC000020372706 171168982 /nfs/dbraw/zinc/16/89/82/171168982.db2.gz VKOVFQFHOPJYPO-GHMZBOCLSA-N 1 0 250.317 2.461 10 0 CEAERO C[C@H]([NH3+])c1ccccc1O[C@@H](C)C(=O)N1CCCC1 ZINC000020419475 171184487 /nfs/dbraw/zinc/18/44/87/171184487.db2.gz GLNMPXZYHWHHTR-RYUDHWBXSA-N 1 0 262.353 2.096 10 0 CEAERO CC[C@H]([NH3+])c1ccc(O[C@@H](C)C(=O)N2CCCC2)cc1 ZINC000020419615 171184569 /nfs/dbraw/zinc/18/45/69/171184569.db2.gz ZDPHTBKPSUZLFZ-WFASDCNBSA-N 1 0 276.380 2.486 10 0 CEAERO O=C(Nc1ccc(F)cc1Br)[C@@H]1CCC[NH2+]1 ZINC000020430933 171195459 /nfs/dbraw/zinc/19/54/59/171195459.db2.gz LGRVYSKDFIPLTO-JTQLQIEISA-N 1 0 287.132 2.279 10 0 CEAERO [NH3+][C@@H](Cc1ccccc1)C(=O)Nc1c(F)cccc1F ZINC000020476424 171220804 /nfs/dbraw/zinc/22/08/04/171220804.db2.gz MQCXGDFQIMUXFH-ZDUSSCGKSA-N 1 0 276.286 2.473 10 0 CEAERO C[C@@H]([NH3+])c1ccc(Sc2nccc(=O)[nH]2)c(F)c1 ZINC000020484006 171223681 /nfs/dbraw/zinc/22/36/81/171223681.db2.gz WJQZYDNJOZPMHK-SSDOTTSWSA-N 1 0 265.313 2.492 10 0 CEAERO CCC(C)(C)OCC(=O)Nc1ccccc1C[NH3+] ZINC000020508861 171229412 /nfs/dbraw/zinc/22/94/12/171229412.db2.gz PJUBEDCJLQIQKL-UHFFFAOYSA-N 1 0 250.342 2.289 10 0 CEAERO C[C@H](OC(C)(C)C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000020508671 171229617 /nfs/dbraw/zinc/22/96/17/171229617.db2.gz UKYMRJFJPFTUOF-JTQLQIEISA-N 1 0 250.342 2.287 10 0 CEAERO COc1ccc([C@H]2C[C@H]2[C@@H](C)[NH3+])c(OC)c1OC ZINC000020594457 171263703 /nfs/dbraw/zinc/26/37/03/171263703.db2.gz HMVDXADTKUNJRS-DVVUODLYSA-N 1 0 251.326 2.163 10 0 CEAERO c1cc(C[NH2+]Cc2ccc3c(c2)OCCO3)cc2c1OCO2 ZINC000020876114 171277176 /nfs/dbraw/zinc/27/71/76/171277176.db2.gz XVRFQTDTAAZELX-UHFFFAOYSA-N 1 0 299.326 2.476 10 0 CEAERO Cc1ccc(CC[NH2+]CCc2ccc(C)cn2)nc1 ZINC000021989304 171346017 /nfs/dbraw/zinc/34/60/17/171346017.db2.gz CRNAYJSPBPAOMJ-UHFFFAOYSA-N 1 0 255.365 2.468 10 0 CEAERO COc1cc(N)ccc1NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000022151646 171359083 /nfs/dbraw/zinc/35/90/83/171359083.db2.gz XQKULASILIRKEV-LBPRGKRZSA-N 1 0 291.395 2.480 10 0 CEAERO Cc1ccc(N)cc1NC(=O)CCC[N@@H+]1CCO[C@H](C)C1 ZINC000022156441 171362679 /nfs/dbraw/zinc/36/26/79/171362679.db2.gz ATDYEIUNFXJRGQ-CYBMUJFWSA-N 1 0 291.395 2.017 10 0 CEAERO Cc1ccccc1OCC(=O)Nc1ccc(C[NH3+])cc1 ZINC000022170159 171367901 /nfs/dbraw/zinc/36/79/01/171367901.db2.gz XNZJYDSYWVSRBF-UHFFFAOYSA-N 1 0 270.332 2.471 10 0 CEAERO C[C@@H](C(=O)Nc1ccc(F)cc1N)[NH+]1CCCCC1 ZINC000022172550 171368945 /nfs/dbraw/zinc/36/89/45/171368945.db2.gz DOMVNEJDNBPXLR-JTQLQIEISA-N 1 0 265.332 2.221 10 0 CEAERO C[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc(C[NH3+])c2)[C@@H]1C ZINC000022173424 171369351 /nfs/dbraw/zinc/36/93/51/171369351.db2.gz BFQDKNSJDNTJNV-JMSVASOKSA-N 1 0 296.436 2.248 10 0 CEAERO Cc1ccsc1[C@H](C[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000022175136 171370061 /nfs/dbraw/zinc/37/00/61/171370061.db2.gz MDPAFPAXNWVLIR-TUAOUCFPSA-N 1 0 254.399 2.166 10 0 CEAERO Nc1cc(F)ccc1NC(=O)CC[NH+]1CCCCC1 ZINC000022177750 171371260 /nfs/dbraw/zinc/37/12/60/171371260.db2.gz BOCNQQCEAKROGZ-UHFFFAOYSA-N 1 0 265.332 2.222 10 0 CEAERO [NH3+]Cc1ccccc1S(=O)(=O)Nc1ccc(F)c(F)c1 ZINC000022213805 171374869 /nfs/dbraw/zinc/37/48/69/171374869.db2.gz KIBFGUKSFMUATK-UHFFFAOYSA-N 1 0 298.314 2.224 10 0 CEAERO CC[NH+](CC)CCCC(=O)Nc1cc(N)ccc1OC ZINC000022221712 171378187 /nfs/dbraw/zinc/37/81/87/171378187.db2.gz RWMJPORIGCCBHF-UHFFFAOYSA-N 1 0 279.384 2.338 10 0 CEAERO CC1CCN(C[C@H]([NH3+])c2ccc3c(c2)OCO3)CC1 ZINC000022562911 171390968 /nfs/dbraw/zinc/39/09/68/171390968.db2.gz GHARZRGVTDKFNS-ZDUSSCGKSA-N 1 0 262.353 2.147 10 0 CEAERO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](N)c2ccc3c(c2)OCCO3)C1 ZINC000022564380 171391661 /nfs/dbraw/zinc/39/16/61/171391661.db2.gz INIYYPPDYIZEKI-UMVBOHGHSA-N 1 0 290.407 2.436 10 0 CEAERO CCOc1ccc([C@H]([NH3+])CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000022566263 171391992 /nfs/dbraw/zinc/39/19/92/171391992.db2.gz LPXFXYVTPRAHRH-HEHGZKQESA-N 1 0 278.396 2.194 10 0 CEAERO COc1cc(C[C@H](C)[NH3+])c(O)cc1Br ZINC000026154650 171473179 /nfs/dbraw/zinc/47/31/79/171473179.db2.gz YMEPEWSDHUFKSX-LURJTMIESA-N 1 0 260.131 2.053 10 0 in-vivo CEAERO Cc1cc(C)cc(OC[C@@H](O)C[NH2+]CC(C)C)c1 ZINC000032106920 171698482 /nfs/dbraw/zinc/69/84/82/171698482.db2.gz VTIIVQXLMSDWFB-AWEZNQCLSA-N 1 0 251.370 2.289 10 0 CEAERO CC[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000032113329 171706764 /nfs/dbraw/zinc/70/67/64/171706764.db2.gz FJTJQUGXOPGCID-SECBINFHSA-N 1 0 264.152 2.343 10 0 CEAERO NC(=[NH2+])c1ccc(COCCc2ccccn2)cc1 ZINC000034958518 171903989 /nfs/dbraw/zinc/90/39/89/171903989.db2.gz NGPLSBVLWXKGGS-UHFFFAOYSA-N 1 0 255.321 2.125 10 0 CEAERO COC(=O)c1ccc(OC[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000035070308 171964472 /nfs/dbraw/zinc/96/44/72/171964472.db2.gz PXIDCWJJOAXBJC-JTQLQIEISA-N 1 0 269.728 2.257 10 0 CEAERO CC[C@H](C)C(=O)Nc1sc2c(c1C(=O)OC)CC[NH2+]C2 ZINC000035216880 172057834 /nfs/dbraw/zinc/05/78/34/172057834.db2.gz KYLRNMKZIKNUIA-QMMMGPOBSA-N 1 0 296.392 2.165 10 0 CEAERO C[C@@]1([NH2+]Cc2ccc(Cl)s2)CCS(=O)(=O)C1 ZINC000035223140 172067457 /nfs/dbraw/zinc/06/74/57/172067457.db2.gz OOLAMWBATGWNIF-SNVBAGLBSA-N 1 0 279.814 2.068 10 0 CEAERO c1ccc2sc(NCCCN3CC[NH2+]CC3)nc2c1 ZINC000035307799 172121221 /nfs/dbraw/zinc/12/12/21/172121221.db2.gz OEGKFQYXTAFWAZ-UHFFFAOYSA-N 1 0 276.409 2.004 10 0 CEAERO C[NH2+]Cc1c(N2CCCC[C@H]2C)nc2sccn12 ZINC000035429601 172198601 /nfs/dbraw/zinc/19/86/01/172198601.db2.gz TXOIFLHRIHZVDD-SNVBAGLBSA-N 1 0 264.398 2.494 10 0 CEAERO CC[C@H](C)CN(C)c1nc2sccn2c1C[NH3+] ZINC000035430275 172199263 /nfs/dbraw/zinc/19/92/63/172199263.db2.gz KTTIQAYRQLSQGY-VIFPVBQESA-N 1 0 252.387 2.337 10 0 CEAERO CCCCCN(C)c1nc2sccn2c1C[NH3+] ZINC000035430252 172199346 /nfs/dbraw/zinc/19/93/46/172199346.db2.gz HLBAVFVHYQOPEJ-UHFFFAOYSA-N 1 0 252.387 2.481 10 0 CEAERO C[NH2+][C@@H](c1cc(OC)ccc1OC)[C@H]1CCCO1 ZINC000035466743 172214824 /nfs/dbraw/zinc/21/48/24/172214824.db2.gz GEOLBTYJAHCSEG-KGLIPLIRSA-N 1 0 251.326 2.143 10 0 CEAERO C[NH2+][C@@H](CC(F)(F)F)c1ccc2c(c1)NC(=O)CO2 ZINC000035501779 172236731 /nfs/dbraw/zinc/23/67/31/172236731.db2.gz BIPIZYQDKUTXSH-VIFPVBQESA-N 1 0 274.242 2.230 10 0 CEAERO Cc1ccc(O[C@H](C)C(=O)N2CCCC2)c([C@H](C)[NH3+])c1 ZINC000035629353 172309157 /nfs/dbraw/zinc/30/91/57/172309157.db2.gz APRIIYOYUMCEOM-QWHCGFSZSA-N 1 0 276.380 2.404 10 0 CEAERO Cc1ccc(O[C@H]2CCCCNC2=O)c([C@H](C)[NH3+])c1 ZINC000035629399 172310071 /nfs/dbraw/zinc/31/00/71/172310071.db2.gz OXIZHDAAMFMYSW-FZMZJTMJSA-N 1 0 262.353 2.062 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccccc1NS(C)(=O)=O ZINC000035645188 172322044 /nfs/dbraw/zinc/32/20/44/172322044.db2.gz NWIHTZGFXVJDEP-JTQLQIEISA-N 1 0 256.371 2.119 10 0 CEAERO C[NH2+]Cc1c(C)nn(C)c1N(C)Cc1ccsc1 ZINC000035719593 172373841 /nfs/dbraw/zinc/37/38/41/172373841.db2.gz PKHKHSQDELCQCJ-UHFFFAOYSA-N 1 0 264.398 2.146 10 0 CEAERO COCCSCCCOc1cccc(C[NH3+])c1 ZINC000035721899 172377584 /nfs/dbraw/zinc/37/75/84/172377584.db2.gz GTVSXFJPYCPMMA-UHFFFAOYSA-N 1 0 255.383 2.294 10 0 CEAERO C[NH2+][C@@H]1c2cc(Cl)ccc2S(=O)(=O)C[C@@H]1C ZINC000035760922 172399101 /nfs/dbraw/zinc/39/91/01/172399101.db2.gz VJZSNXQNUZJVEL-CPCISQLKSA-N 1 0 259.758 2.024 10 0 CEAERO CCC[NH2+][C@H]1CCS(=O)(=O)c2c(F)ccc(F)c21 ZINC000035763393 172403483 /nfs/dbraw/zinc/40/34/83/172403483.db2.gz ZOZXJYCQUYDYTN-JTQLQIEISA-N 1 0 275.320 2.183 10 0 CEAERO CCOc1cc2c(cc1[C@H](O)[C@H]([NH3+])CC)O[C@@H](C)C2 ZINC000036779095 172696499 /nfs/dbraw/zinc/69/64/99/172696499.db2.gz MILSZHYGKLBGSJ-UAKXVISKSA-N 1 0 265.353 2.179 10 0 CEAERO CC[NH2+]CCCNC(=O)c1cc(Cl)cn1C1CC1 ZINC000036857783 172756989 /nfs/dbraw/zinc/75/69/89/172756989.db2.gz IKENJWNYDOBQSC-UHFFFAOYSA-N 1 0 269.776 2.206 10 0 CEAERO O=C(c1cnn(-c2ccccc2)c1)[C@@H]1CCC[NH2+]C1 ZINC000036893108 172785234 /nfs/dbraw/zinc/78/52/34/172785234.db2.gz ZPDYWTGIMBGKTI-GFCCVEGCSA-N 1 0 255.321 2.055 10 0 CEAERO CSCc1ccc(C[NH2+]CCNC(=O)C(C)C)o1 ZINC000037220187 173038133 /nfs/dbraw/zinc/03/81/33/173038133.db2.gz OPBVYNLJDYEWGH-UHFFFAOYSA-N 1 0 270.398 2.004 10 0 CEAERO Cc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2C)c(N)c1 ZINC000037272037 173083075 /nfs/dbraw/zinc/08/30/75/173083075.db2.gz VAWQHORVQJYFIE-GFCCVEGCSA-N 1 0 261.369 2.390 10 0 CEAERO COc1ccc(C)cc1[C@@H](C)[NH2+]C1CCN(C(N)=O)CC1 ZINC000037280997 173089433 /nfs/dbraw/zinc/08/94/33/173089433.db2.gz PMQRXKBCURNLJJ-GFCCVEGCSA-N 1 0 291.395 2.197 10 0 CEAERO OC1CCC([NH2+]Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC000037300940 173106669 /nfs/dbraw/zinc/10/66/69/173106669.db2.gz AAVULVJMDDQYIX-UHFFFAOYSA-N 1 0 283.755 2.462 10 0 CEAERO Cc1ncsc1[C@@H](C)[NH2+][C@@H](C)Cn1ccnc1 ZINC000037320426 173121194 /nfs/dbraw/zinc/12/11/94/173121194.db2.gz OVVABXQZEJGNEZ-GXSJLCMTSA-N 1 0 250.371 2.387 10 0 CEAERO CC[C@H](C(=O)c1ccccc1)N1CCC[N@H+](C)CC1 ZINC000037333674 173134943 /nfs/dbraw/zinc/13/49/43/173134943.db2.gz UCJNZFUVCAWOEV-OAHLLOKOSA-N 1 0 260.381 2.285 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000037389412 173172294 /nfs/dbraw/zinc/17/22/94/173172294.db2.gz ABFJHFGHTHXQPF-NWDGAFQWSA-N 1 0 292.379 2.023 10 0 CEAERO CC(C)[C@@H](NC(=O)C[NH2+]C1CC1)c1cccs1 ZINC000037395408 173175697 /nfs/dbraw/zinc/17/56/97/173175697.db2.gz FMJNTHGDXBHACZ-CYBMUJFWSA-N 1 0 252.383 2.313 10 0 CEAERO CCCn1c2ccc(Cl)cc2nc1[C@H]([NH3+])[C@@H](C)O ZINC000037440555 173210433 /nfs/dbraw/zinc/21/04/33/173210433.db2.gz YJCSHWIPJOCJLZ-PRHODGIISA-N 1 0 267.760 2.480 10 0 CEAERO CCn1c2cccc(F)c2nc1[C@@H]1C[C@H](OC)C[NH2+]1 ZINC000037442686 173211013 /nfs/dbraw/zinc/21/10/13/173211013.db2.gz IJYQTHOYSPPYHS-ONGXEEELSA-N 1 0 263.316 2.245 10 0 CEAERO CCCn1c2ccc(Br)cc2nc1[C@H]([NH3+])CO ZINC000037441673 173211607 /nfs/dbraw/zinc/21/16/07/173211607.db2.gz GCGBGRPNYMHIOP-SECBINFHSA-N 1 0 298.184 2.201 10 0 CEAERO C[NH2+][C@@](C)(C(N)=O)c1cc2cc(Br)ccc2o1 ZINC000037459013 173224309 /nfs/dbraw/zinc/22/43/09/173224309.db2.gz UWQUPQWWVQIRMB-GFCCVEGCSA-N 1 0 297.152 2.115 10 0 CEAERO C[NH2+][C@H]1CCN(c2ccccc2Br)C1 ZINC000037483491 173228580 /nfs/dbraw/zinc/22/85/80/173228580.db2.gz SIABZAHJFNEAKP-VIFPVBQESA-N 1 0 255.159 2.247 10 0 CEAERO c1cc(CC[NH2+]CCc2ccc3c(c2)OCCO3)ccn1 ZINC000037486076 173229506 /nfs/dbraw/zinc/22/95/06/173229506.db2.gz OXAICWLKWFUNDZ-UHFFFAOYSA-N 1 0 284.359 2.228 10 0 CEAERO COc1cccc([C@H](C[NH2+][C@H]2CCCC[C@@H]2O)N(C)C)c1 ZINC000037490939 173232328 /nfs/dbraw/zinc/23/23/28/173232328.db2.gz FIUZDKLIPQQODD-ULQDDVLXSA-N 1 0 292.423 2.191 10 0 CEAERO CCN(C(=O)c1ccc(C)s1)C1CC[NH2+]CC1 ZINC000037537444 173256878 /nfs/dbraw/zinc/25/68/78/173256878.db2.gz PXJGSOCZYGFXNF-UHFFFAOYSA-N 1 0 252.383 2.271 10 0 CEAERO C/C=C/COc1c(OC)cc(CC[NH3+])cc1OC ZINC000037721960 173640405 /nfs/dbraw/zinc/64/04/05/173640405.db2.gz NRYIHPSXFBGKMW-SNAWJCMRSA-N 1 0 251.326 2.160 10 0 CEAERO CCOc1cccc(C[C@@H](C)[NH3+])c1OCCCOC ZINC000037754342 173677916 /nfs/dbraw/zinc/67/79/16/173677916.db2.gz VKOJNQAYFXFGRH-GFCCVEGCSA-N 1 0 267.369 2.390 10 0 CEAERO C[C@H]([NH3+])CC(=O)Nc1cccc(Cl)c1-n1cccn1 ZINC000037766300 173695314 /nfs/dbraw/zinc/69/53/14/173695314.db2.gz CSJFWAIVAIWVAP-VIFPVBQESA-N 1 0 278.743 2.202 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)Nc1ccc(C)cc1OC ZINC000037769428 173700619 /nfs/dbraw/zinc/70/06/19/173700619.db2.gz RMXWMPVMGHQCLD-LLVKDONJSA-N 1 0 250.342 2.330 10 0 CEAERO C[C@H](c1cccs1)N(C)C(=O)[C@H]1CCC[NH2+]C1 ZINC000037821239 173774351 /nfs/dbraw/zinc/77/43/51/173774351.db2.gz XJAMKLUJNAINHD-MNOVXSKESA-N 1 0 252.383 2.267 10 0 CEAERO CCc1ncc(C[NH2+][C@@H](CC(C)C)C(=O)N(C)C)s1 ZINC000037924103 173862767 /nfs/dbraw/zinc/86/27/67/173862767.db2.gz DIESPJSAYVXYFF-LBPRGKRZSA-N 1 0 283.441 2.298 10 0 CEAERO C[C@@]([NH2+]C1CCCC1)(C(N)=O)c1ccc(F)cc1 ZINC000037969362 173917665 /nfs/dbraw/zinc/91/76/65/173917665.db2.gz IIIZFJICEPZLRV-AWEZNQCLSA-N 1 0 250.317 2.058 10 0 CEAERO NC(=O)[C@H]([NH2+]C1CCCCC1)c1ccc(F)cc1F ZINC000037969702 173918376 /nfs/dbraw/zinc/91/83/76/173918376.db2.gz UBPYHDNIDGAIGS-CYBMUJFWSA-N 1 0 268.307 2.414 10 0 CEAERO C[C@H](CNc1ccc(Cl)nn1)[NH+]1CCCCC1 ZINC000038029323 174019719 /nfs/dbraw/zinc/01/97/19/174019719.db2.gz PHXVYOMDQBUQRK-SNVBAGLBSA-N 1 0 254.765 2.416 10 0 CEAERO C[C@H](N(C)C(=O)[C@@H]1CCCN1C1CC[NH2+]CC1)C(C)(C)C ZINC000038043299 174049749 /nfs/dbraw/zinc/04/97/49/174049749.db2.gz WYCLNBRGASUDRP-ZFWWWQNUSA-N 1 0 295.471 2.096 10 0 CEAERO CCc1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCOC2)c1 ZINC000038045733 174053975 /nfs/dbraw/zinc/05/39/75/174053975.db2.gz CRSFBUCJKUYJIL-HOTGVXAUSA-N 1 0 293.407 2.005 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1c(F)cccc1Cl ZINC000038049577 174060475 /nfs/dbraw/zinc/06/04/75/174060475.db2.gz UTERPJCIMYXPID-MNOVXSKESA-N 1 0 270.735 2.479 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)c1ccccc1OC(F)F ZINC000038049343 174060492 /nfs/dbraw/zinc/06/04/92/174060492.db2.gz PQDKLNPXNNFVGY-QWRGUYRKSA-N 1 0 284.306 2.288 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1ccc(OC(F)F)cc1 ZINC000038049337 174060606 /nfs/dbraw/zinc/06/06/06/174060606.db2.gz LWKFDVNDJMWPIE-NEPJUHHUSA-N 1 0 284.306 2.288 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1F ZINC000038049850 174060993 /nfs/dbraw/zinc/06/09/93/174060993.db2.gz SXSBYZZGILEYKU-PWSUYJOCSA-N 1 0 251.305 2.217 10 0 CEAERO CCOC(=O)C1(N[C@@H](C)CC)CC[NH+](C(C)C)CC1 ZINC000038067423 174079372 /nfs/dbraw/zinc/07/93/72/174079372.db2.gz AFLVZQXHMCURES-ZDUSSCGKSA-N 1 0 270.417 2.181 10 0 CEAERO C[C@@H](CN[C@H](c1cccs1)c1nccn1C)[NH+](C)C ZINC000038087561 174099328 /nfs/dbraw/zinc/09/93/28/174099328.db2.gz YNFYFWSBPMHXCD-WCQYABFASA-N 1 0 278.425 2.111 10 0 CEAERO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COC(C)(C)C)o1 ZINC000038097790 174112800 /nfs/dbraw/zinc/11/28/00/174112800.db2.gz GXXUMGCJZHPCHY-RYUDHWBXSA-N 1 0 255.358 2.415 10 0 CEAERO COc1ccc(Br)cc1[C@@H](CO)[NH2+]C(C)C ZINC000038115820 174125641 /nfs/dbraw/zinc/12/56/41/174125641.db2.gz JAZILRXJDVQASJ-LLVKDONJSA-N 1 0 288.185 2.489 10 0 CEAERO CCc1c[nH]c(=O)c2cccc(OC3CC[NH2+]CC3)c12 ZINC000038438646 174141462 /nfs/dbraw/zinc/14/14/62/174141462.db2.gz KDBWXHBUPVYORS-UHFFFAOYSA-N 1 0 272.348 2.221 10 0 CEAERO CCN1C(=O)/C(=C(C)/C=C2\CCC[N@@H+]2C)OC1=S ZINC000038614061 174149815 /nfs/dbraw/zinc/14/98/15/174149815.db2.gz LEOSWUSPSSGMKS-GOOGBFEESA-N 1 0 266.366 2.034 10 0 CEAERO C[C@H](Cn1sc2ccccc2c1=O)C[NH+](C)C ZINC000038634980 174149887 /nfs/dbraw/zinc/14/98/87/174149887.db2.gz KKVWYFKWZWCPOZ-JTQLQIEISA-N 1 0 250.367 2.261 10 0 CEAERO O[C@H](c1ccccc1)[C@H](c1ccccc1)N1CC[NH2+]CC1 ZINC000039239006 174166834 /nfs/dbraw/zinc/16/68/34/174166834.db2.gz UTRKQWAYSWPSIE-ZWKOTPCHSA-N 1 0 282.387 2.367 10 0 CEAERO O[C@@H](c1ccccc1)[C@H](c1ccccc1)N1CC[NH2+]CC1 ZINC000039239008 174166988 /nfs/dbraw/zinc/16/69/88/174166988.db2.gz UTRKQWAYSWPSIE-ROUUACIJSA-N 1 0 282.387 2.367 10 0 CEAERO CCCC[C@H]1C[NH2+]CCN1Cc1ccc(C(=O)OC)cc1 ZINC000039952575 174177938 /nfs/dbraw/zinc/17/79/38/174177938.db2.gz NELHIIXWQNQQRW-INIZCTEOSA-N 1 0 290.407 2.437 10 0 CEAERO C[NH2+]Cc1cc(OC)c(OC)cc1-c1ccncc1 ZINC000040231832 174210406 /nfs/dbraw/zinc/21/04/06/174210406.db2.gz HIGYZSDAYYFZLM-UHFFFAOYSA-N 1 0 258.321 2.485 10 0 CEAERO COc1ccc([C@H](C)NC(=O)[C@](C)([NH3+])C2CC2)cc1OC ZINC000040491285 174292288 /nfs/dbraw/zinc/29/22/88/174292288.db2.gz LUAGOTWCZHEYAT-MGPLVRAMSA-N 1 0 292.379 2.008 10 0 CEAERO CCN1CCC[C@@H]([NH2+]Cc2ccccc2C(=O)OC)C1 ZINC000040502762 174299293 /nfs/dbraw/zinc/29/92/93/174299293.db2.gz QTXPRIAGZBTAGR-CQSZACIVSA-N 1 0 276.380 2.047 10 0 CEAERO CCCCCNC(=O)[C@@H](C)[NH2+]CCOCCCC ZINC000040507332 174303206 /nfs/dbraw/zinc/30/32/06/174303206.db2.gz APDDISKWVJGXOK-CYBMUJFWSA-N 1 0 258.406 2.088 10 0 CEAERO CCCCOCCOc1nc(C)cc(C)c1C[NH3+] ZINC000040509691 174303881 /nfs/dbraw/zinc/30/38/81/174303881.db2.gz ARPQQRNQBYQIQI-UHFFFAOYSA-N 1 0 252.358 2.353 10 0 CEAERO CCCC[C@@H]([NH3+])C(=O)N[C@@H](C)c1sc(C)nc1C ZINC000040519131 174308737 /nfs/dbraw/zinc/30/87/37/174308737.db2.gz HGHOVURMLSKXOO-GXSJLCMTSA-N 1 0 269.414 2.455 10 0 CEAERO C[NH2+]C[C@@H]1CCCN(Cc2cc(C(C)=O)ccc2OC)C1 ZINC000040600944 174351104 /nfs/dbraw/zinc/35/11/04/174351104.db2.gz IFTBQNSIRQTRSY-AWEZNQCLSA-N 1 0 290.407 2.329 10 0 CEAERO CC(=O)N1CCC([NH2+]Cc2cc3c(s2)CCC3)CC1 ZINC000040626213 174356420 /nfs/dbraw/zinc/35/64/20/174356420.db2.gz MBXVHESSTAZLJG-UHFFFAOYSA-N 1 0 278.421 2.337 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2ccccc2C(C)C)C1 ZINC000040630074 174357968 /nfs/dbraw/zinc/35/79/68/174357968.db2.gz CDEKXQUWXJALSG-FZMZJTMJSA-N 1 0 262.353 2.125 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2cccc(OCC(C)C)c2)C1 ZINC000040634215 174360440 /nfs/dbraw/zinc/36/04/40/174360440.db2.gz NYZJWIWLFXMHSA-HUUCEWRRSA-N 1 0 292.379 2.037 10 0 CEAERO C[C@@H]1CCC[C@](CNc2ncccc2C(N)=O)([NH+](C)C)C1 ZINC000040670201 174368299 /nfs/dbraw/zinc/36/82/99/174368299.db2.gz AZHTYSIOFZMFTR-WBMJQRKESA-N 1 0 290.411 2.103 10 0 CEAERO C[C@H]1CCC[C@@](CNc2ncccc2C(N)=O)([NH+](C)C)C1 ZINC000040670199 174368345 /nfs/dbraw/zinc/36/83/45/174368345.db2.gz AZHTYSIOFZMFTR-BLLLJJGKSA-N 1 0 290.411 2.103 10 0 CEAERO Cc1csc2nc(C)c(C[NH2+][C@@H]3CCCN(C)C3)n12 ZINC000040672903 174370982 /nfs/dbraw/zinc/37/09/82/174370982.db2.gz YGVTYGJQULXAEC-GFCCVEGCSA-N 1 0 278.425 2.196 10 0 CEAERO CN1CCC[C@H]([NH2+]Cc2ccccc2N2CCCC2)C1 ZINC000040672931 174371103 /nfs/dbraw/zinc/37/11/03/174371103.db2.gz RAFPTGHLPFLTEP-INIZCTEOSA-N 1 0 273.424 2.471 10 0 CEAERO CCOC1CC[NH+](CCc2nc3cc(N)ccc3[nH]2)CC1 ZINC000040678423 174374868 /nfs/dbraw/zinc/37/48/68/174374868.db2.gz LPUGIUFAGKJXHC-UHFFFAOYSA-N 1 0 288.395 2.189 10 0 CEAERO CCCCc1ccc(Nc2nc[nH+]c(NN)c2N)cc1 ZINC000040680154 174374925 /nfs/dbraw/zinc/37/49/25/174374925.db2.gz DMESMGIVSHPYBF-UHFFFAOYSA-N 1 0 272.356 2.431 10 0 CEAERO CCc1ccc(Nc2nc[nH+]c(NN(C)C)c2N)cc1 ZINC000040688469 174375974 /nfs/dbraw/zinc/37/59/74/174375974.db2.gz YGKCHNGIACQKTG-UHFFFAOYSA-N 1 0 272.356 2.253 10 0 CEAERO CCC[NH2+]Cc1c(C)nn(C)c1N1CCC(OCC)CC1 ZINC000040689843 174376329 /nfs/dbraw/zinc/37/63/29/174376329.db2.gz MFZWHWUOEIZJPR-UHFFFAOYSA-N 1 0 294.443 2.233 10 0 CEAERO CCOC1CC[NH+](Cc2ccc(C(N)=S)cc2F)CC1 ZINC000040689480 174376354 /nfs/dbraw/zinc/37/63/54/174376354.db2.gz HRPMAOOSNROMEL-UHFFFAOYSA-N 1 0 296.411 2.461 10 0 CEAERO CCN1C(=S)N=NC1N1CCC([NH+]2CCCCC2)CC1 ZINC000040694331 174377876 /nfs/dbraw/zinc/37/78/76/174377876.db2.gz DKDBMQUJAXHYHN-UHFFFAOYSA-N 1 0 295.456 2.041 10 0 CEAERO C[N@@H+]1CCC[C@H](Nc2ccc(N)c3cccnc23)C1 ZINC000040715782 174382614 /nfs/dbraw/zinc/38/26/14/174382614.db2.gz BGFYSYKQOFYIPJ-NSHDSACASA-N 1 0 256.353 2.323 10 0 CEAERO Cc1cc(=O)n(C[C@H]([NH3+])c2ccc(C(C)C)cc2)cn1 ZINC000040728036 174387744 /nfs/dbraw/zinc/38/77/44/174387744.db2.gz PFIRETYIDAXJFF-HNNXBMFYSA-N 1 0 271.364 2.375 10 0 CEAERO CCOc1ccccc1C(=O)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749746 174394603 /nfs/dbraw/zinc/39/46/03/174394603.db2.gz NKPULQIYXZSLOY-YHWZYXNKSA-N 1 0 274.364 2.180 10 0 CEAERO CC(C)(C)NNc1[nH+]cnc(NNc2ccccc2)c1N ZINC000040757564 174396215 /nfs/dbraw/zinc/39/62/15/174396215.db2.gz WEVPJZYJNCFEIO-UHFFFAOYSA-N 1 0 287.371 2.213 10 0 CEAERO CCOc1ncnc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1N ZINC000040760844 174397401 /nfs/dbraw/zinc/39/74/01/174397401.db2.gz OQZOTMKLTAWSLT-UHFFFAOYSA-N 1 0 293.415 2.179 10 0 CEAERO CC(C)C[C@@H](CO)[NH2+]C[C@H](O)CO[C@@H](C)c1ccccc1 ZINC000040777114 174403420 /nfs/dbraw/zinc/40/34/20/174403420.db2.gz INDVQJFUHVZDPX-XIRDDKMYSA-N 1 0 295.423 2.122 10 0 CEAERO [NH3+][C@H](c1ccc(Br)cc1)[C@@H]1CCOC1 ZINC000040941968 174437388 /nfs/dbraw/zinc/43/73/88/174437388.db2.gz ATIWECFNDVUMNQ-MWLCHTKSSA-N 1 0 256.143 2.485 10 0 CEAERO COc1cccc(C[N@@H+]2C[C@H](C)C[C@H](O)C2)c1F ZINC000401783623 414753068 /nfs/dbraw/zinc/75/30/68/414753068.db2.gz CGUUQWMBNAYIFK-PWSUYJOCSA-N 1 0 253.317 2.037 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(Sc2nc(N)cc(N)n2)cc1 ZINC000041023818 174452392 /nfs/dbraw/zinc/45/23/92/174452392.db2.gz QDRWCDDGHZTKED-QMMMGPOBSA-N 1 0 275.381 2.073 10 0 CEAERO [NH3+]C1(c2nc(C[C@H]3CCCO3)no2)CCCCCC1 ZINC000041033204 174456510 /nfs/dbraw/zinc/45/65/10/174456510.db2.gz VGMPUUYOWBWQMI-LLVKDONJSA-N 1 0 265.357 2.299 10 0 CEAERO CC[NH2+]C1CCN(C(=O)Nc2cccc(OC)c2)CC1 ZINC000041093095 174477926 /nfs/dbraw/zinc/47/79/26/174477926.db2.gz LRTHNGRCRPCBKD-UHFFFAOYSA-N 1 0 277.368 2.301 10 0 CEAERO CC(C)N(CC[NH3+])C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000041160386 174502155 /nfs/dbraw/zinc/50/21/55/174502155.db2.gz JWQKPYJWYVZJNT-UHFFFAOYSA-N 1 0 264.413 2.399 10 0 CEAERO Cc1cnc([C@H](C)NC(=O)C[C@@H]([NH3+])C(C)C)s1 ZINC000124536882 414796826 /nfs/dbraw/zinc/79/68/26/414796826.db2.gz ZZSXEQUXYCXUNJ-VHSXEESVSA-N 1 0 255.387 2.002 10 0 CEAERO C[C@H](NC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1)C1CCCC1 ZINC000407411747 414800661 /nfs/dbraw/zinc/80/06/61/414800661.db2.gz WDNSFVBBTQKTKE-LEWSCRJBSA-N 1 0 250.386 2.212 10 0 CEAERO CC(NC(=O)C[C@@H]1CCC[NH2+]C1)(C1CC1)C1CC1 ZINC000662916240 414802054 /nfs/dbraw/zinc/80/20/54/414802054.db2.gz WLFUNRQBEVTTNB-NSHDSACASA-N 1 0 250.386 2.071 10 0 CEAERO CN(C(=O)C1CCCCCC1)[C@H](C[NH3+])C(F)(F)F ZINC000662978431 414817086 /nfs/dbraw/zinc/81/70/86/414817086.db2.gz PKSQORLAKMCYJR-SNVBAGLBSA-N 1 0 266.307 2.305 10 0 CEAERO C[C@@H]([NH3+])c1ccc(NC(=O)N2C[C@@H](C)OC[C@@H]2C)cc1 ZINC000041715728 174614618 /nfs/dbraw/zinc/61/46/18/174614618.db2.gz SIUOOXNCKOVLOB-QJPTWQEYSA-N 1 0 277.368 2.347 10 0 CEAERO C[NH+](C)[C@@H](CNCc1ncc(Cl)s1)C1CC1 ZINC000309625245 414855026 /nfs/dbraw/zinc/85/50/26/414855026.db2.gz GGGBKRJPKVIYED-VIFPVBQESA-N 1 0 259.806 2.226 10 0 CEAERO CC[N@H+](C)C[C@H](O)CN[C@@H](C)c1cccc(Cl)c1 ZINC000310796042 414857397 /nfs/dbraw/zinc/85/73/97/414857397.db2.gz WACNKYWRKCJHJX-SMDDNHRTSA-N 1 0 270.804 2.303 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]1)N(Cc1ccco1)CC(F)(F)F ZINC000042168726 174650075 /nfs/dbraw/zinc/65/00/75/174650075.db2.gz ZXTSFUKWZOJXDX-JTQLQIEISA-N 1 0 290.285 2.313 10 0 CEAERO O=S1CCC([NH2+]CCc2c[nH]c3ccccc23)CC1 ZINC000042335915 174689173 /nfs/dbraw/zinc/68/91/73/174689173.db2.gz GJDVYNSHOOIMDP-UHFFFAOYSA-N 1 0 276.405 2.211 10 0 CEAERO OCCN1CCC([NH2+]C2CCC(C3CCC3)CC2)CC1 ZINC000657352023 414875216 /nfs/dbraw/zinc/87/52/16/414875216.db2.gz QBEDLJSKXCCLML-UHFFFAOYSA-N 1 0 280.456 2.392 10 0 CEAERO Cn1cc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])c2ccccc21 ZINC000653052347 414886693 /nfs/dbraw/zinc/88/66/93/414886693.db2.gz BPMBKYDPNUTOQH-RISCZKNCSA-N 1 0 271.364 2.036 10 0 CEAERO CC(C)CC[C@@H](C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653057184 414890360 /nfs/dbraw/zinc/89/03/60/414890360.db2.gz SEDDHKVQDYLQRA-GMTAPVOTSA-N 1 0 280.334 2.325 10 0 CEAERO C[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)[C@@H]1C ZINC000653057808 414891790 /nfs/dbraw/zinc/89/17/90/414891790.db2.gz QYYYSXBPAQGRBG-OOCWMUITSA-N 1 0 292.345 2.325 10 0 CEAERO C[C@@H]1CCC[C@@H](CNC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653078826 414898651 /nfs/dbraw/zinc/89/86/51/414898651.db2.gz KMXFEKWUUIZJMV-DDHJBXDOSA-N 1 0 292.345 2.327 10 0 CEAERO CCCc1nccnc1N(C)CC[C@H]([NH3+])C(C)C ZINC000663271518 414900625 /nfs/dbraw/zinc/90/06/25/414900625.db2.gz DALPDMBAPMUWBB-LBPRGKRZSA-N 1 0 250.390 2.239 10 0 CEAERO CC(C)[C@H]([NH3+])CCNc1ccc(OC(F)F)cn1 ZINC000663276466 414901296 /nfs/dbraw/zinc/90/12/96/414901296.db2.gz YUVFCAQBKYLWFX-SNVBAGLBSA-N 1 0 259.300 2.468 10 0 CEAERO CC[C@@H]1CCC[C@H](C[NH2+]C[C@H]2CC(=O)N(C)C2)C1 ZINC000657694529 415050287 /nfs/dbraw/zinc/05/02/87/415050287.db2.gz DXPHIJQBAALIKN-HZSPNIEDSA-N 1 0 252.402 2.271 10 0 CEAERO CN1C[C@@H](C[NH2+]Cc2cccc(Cl)c2F)CC1=O ZINC000657697693 415052236 /nfs/dbraw/zinc/05/22/36/415052236.db2.gz RHDBOKWWADMPHG-SECBINFHSA-N 1 0 270.735 2.047 10 0 CEAERO CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC(=O)N(C)C2)CC1 ZINC000657697219 415052687 /nfs/dbraw/zinc/05/26/87/415052687.db2.gz RCYVKTCVHROSAQ-HZSPNIEDSA-N 1 0 252.402 2.413 10 0 CEAERO C[C@H](N(C)S(=O)(=O)CCC1CC[NH2+]CC1)C(C)(C)C ZINC000042781282 174877363 /nfs/dbraw/zinc/87/73/63/174877363.db2.gz YZMIPTMCLMYDSA-LBPRGKRZSA-N 1 0 290.473 2.072 10 0 CEAERO COc1cc(C[NH2+]C2CC(CO)C2)ccc1OC(C)C ZINC000657808542 415088052 /nfs/dbraw/zinc/08/80/52/415088052.db2.gz KMQXFTISMJQBAW-UHFFFAOYSA-N 1 0 279.380 2.343 10 0 CEAERO Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCCCO2)c(C)c1 ZINC000042819521 174887074 /nfs/dbraw/zinc/88/70/74/174887074.db2.gz YKCXGJGRAZRTIQ-HZPDHXFCSA-N 1 0 293.407 2.202 10 0 CEAERO C[C@H]1CCCC[C@@H]1CNC(=O)C1CCC([NH3+])CC1 ZINC000042868250 174895882 /nfs/dbraw/zinc/89/58/82/174895882.db2.gz LQDFWYAEMHUBSR-RJZJGCCBSA-N 1 0 252.402 2.446 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccc(F)cc1)N(C)CC(=O)NC(C)C ZINC000042915683 174916023 /nfs/dbraw/zinc/91/60/23/174916023.db2.gz KLMARJCNTUDBCV-HOCLYGCPSA-N 1 0 295.402 2.061 10 0 CEAERO [NH3+]C[C@@H](Oc1ccc(CO)cc1)c1ccc(F)cc1 ZINC000042942680 174918533 /nfs/dbraw/zinc/91/85/33/174918533.db2.gz HESLTLLTKNBNEK-OAHLLOKOSA-N 1 0 261.296 2.397 10 0 CEAERO CC[C@@H]1CN([C@@H](c2cccc(OC)c2)[C@@H](C)[NH3+])CCO1 ZINC000043026672 174946642 /nfs/dbraw/zinc/94/66/42/174946642.db2.gz ZDMDBYUBUSUQMK-XNRPHZJLSA-N 1 0 278.396 2.194 10 0 CEAERO COc1cccc([C@H](C[NH3+])N(C)Cc2cc(C)on2)c1 ZINC000043027065 174947053 /nfs/dbraw/zinc/94/70/53/174947053.db2.gz KRPKHRXHNTWDKR-HNNXBMFYSA-N 1 0 275.352 2.123 10 0 CEAERO CC[C@H]([NH3+])[C@H](SCC(=O)OC)c1cccc(OC)c1 ZINC000043032794 174949039 /nfs/dbraw/zinc/94/90/39/174949039.db2.gz FPLUNNKGNUGUCW-GXTWGEPZSA-N 1 0 283.393 2.380 10 0 CEAERO C[C@@H]([NH3+])[C@H](OC[C@@H]1CCOC1)c1ccccc1F ZINC000043048936 174957971 /nfs/dbraw/zinc/95/79/71/174957971.db2.gz DHRMKVZBOLVOPO-GYSYKLTISA-N 1 0 253.317 2.267 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1cnn(C)c1)N1CCC[C@@H]1c1ccncc1 ZINC000043127696 174979339 /nfs/dbraw/zinc/97/93/39/174979339.db2.gz RJEMFGXEZICMJT-MAZHCROVSA-N 1 0 285.395 2.041 10 0 CEAERO CCc1ccccc1O[C@H](c1cnn(C)c1)[C@H](C)[NH3+] ZINC000043236143 174987260 /nfs/dbraw/zinc/98/72/60/174987260.db2.gz AWMNKLBAWGDHDL-NHYWBVRUSA-N 1 0 259.353 2.450 10 0 CEAERO C[NH2+][C@H](c1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000043300276 175000940 /nfs/dbraw/zinc/00/09/40/175000940.db2.gz GAQDRQQRNMIFGH-PELKAZGASA-N 1 0 291.775 2.174 10 0 CEAERO C[NH2+][C@@H](c1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000043300275 175000973 /nfs/dbraw/zinc/00/09/73/175000973.db2.gz GAQDRQQRNMIFGH-PRHODGIISA-N 1 0 291.775 2.174 10 0 CEAERO CC[NH2+][C@@H](c1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000043300903 175001290 /nfs/dbraw/zinc/00/12/90/175001290.db2.gz VJXJDYLEOJEYAQ-DZGCQCFKSA-N 1 0 281.421 2.389 10 0 CEAERO CC[NH2+][C@H](c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043300908 175001723 /nfs/dbraw/zinc/00/17/23/175001723.db2.gz BNVXDJIKDOLZID-WCQYABFASA-N 1 0 287.812 2.425 10 0 CEAERO CCC[NH2+][C@@H](c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043301386 175001935 /nfs/dbraw/zinc/00/19/35/175001935.db2.gz CJEGHGHZXHAPIQ-CABCVRRESA-N 1 0 281.421 2.470 10 0 CEAERO Cc1c(F)cccc1NC[C@@H](O)C[NH+]1CCCC1 ZINC000043320783 175005411 /nfs/dbraw/zinc/00/54/11/175005411.db2.gz RQHXYRCVHQPPCB-GFCCVEGCSA-N 1 0 252.333 2.003 10 0 CEAERO c1nc(Sc2ccc(N[C@@H]3CCC[NH2+]C3)cc2)n[nH]1 ZINC000043326653 175008320 /nfs/dbraw/zinc/00/83/20/175008320.db2.gz IPJPPOLGVWEIIJ-LLVKDONJSA-N 1 0 275.381 2.120 10 0 CEAERO COc1ccc(O)c(C(=O)Nc2ccc(C[NH3+])cc2)c1 ZINC000043327676 175009093 /nfs/dbraw/zinc/00/90/93/175009093.db2.gz PTRCQPDMYWHAJJ-UHFFFAOYSA-N 1 0 272.304 2.112 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1ccco1)N(C)CCc1ccccn1 ZINC000043334604 175010377 /nfs/dbraw/zinc/01/03/77/175010377.db2.gz HQDSWRCYBVMNSU-DOMZBBRYSA-N 1 0 259.353 2.237 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1ccco1)N(C)CCc1ccccn1 ZINC000043334603 175010699 /nfs/dbraw/zinc/01/06/99/175010699.db2.gz HQDSWRCYBVMNSU-WFASDCNBSA-N 1 0 259.353 2.237 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1ccco1)N(C)C[C@@H]1CCCCO1 ZINC000043335728 175011507 /nfs/dbraw/zinc/01/15/07/175011507.db2.gz HCPOCRDUWJQCCI-DYEKYZERSA-N 1 0 252.358 2.169 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1cccnc1)N(C)Cc1cc(C)on1 ZINC000043346919 175017534 /nfs/dbraw/zinc/01/75/34/175017534.db2.gz GJSXLAIQCFOAKA-GJZGRUSLSA-N 1 0 274.368 2.288 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1cccnc1)N1CCCSCC1 ZINC000043347392 175017716 /nfs/dbraw/zinc/01/77/16/175017716.db2.gz JNUUBRYZJLURAG-UONOGXRCSA-N 1 0 265.426 2.299 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccncc1)N1C[C@@H](C)OC[C@@H]1CC ZINC000043353594 175021082 /nfs/dbraw/zinc/02/10/82/175021082.db2.gz QPMRKMYAHUONHV-BVUBDWEXSA-N 1 0 277.412 2.359 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccncc1)N(CCOC)CC(C)C ZINC000043354388 175021789 /nfs/dbraw/zinc/02/17/89/175021789.db2.gz OYNIOHCCKLNUTQ-HZPDHXFCSA-N 1 0 279.428 2.464 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1ccncc1)N(C)Cc1cscn1 ZINC000043354850 175022538 /nfs/dbraw/zinc/02/25/38/175022538.db2.gz FGAYHVQXAAJDKT-MFKMUULPSA-N 1 0 262.382 2.058 10 0 CEAERO CC[C@@H]1CO[C@H](C)CN1[C@@H](c1ccc(C)o1)[C@@H](C)[NH3+] ZINC000043364280 175024736 /nfs/dbraw/zinc/02/47/36/175024736.db2.gz OVBLBXAUTRRORV-RGCMKSIDSA-N 1 0 266.385 2.476 10 0 CEAERO CCOC1CCN([C@H](c2ccc(C)o2)[C@H](C)[NH3+])CC1 ZINC000043364575 175025750 /nfs/dbraw/zinc/02/57/50/175025750.db2.gz RFKZRUJECSQEGH-WFASDCNBSA-N 1 0 266.385 2.477 10 0 CEAERO Cc1ccc([C@@H](C[NH3+])Oc2ccc3c(c2)OCO3)o1 ZINC000043366599 175027134 /nfs/dbraw/zinc/02/71/34/175027134.db2.gz BJDSYSZFHHDJBL-CQSZACIVSA-N 1 0 261.277 2.396 10 0 CEAERO Cc1ccc([C@H](C[NH3+])Oc2ccc(S(C)(=O)=O)cc2)o1 ZINC000043366988 175027312 /nfs/dbraw/zinc/02/73/12/175027312.db2.gz ICGWDFNPQXETQV-AWEZNQCLSA-N 1 0 295.360 2.070 10 0 CEAERO CC[C@H]([NH3+])[C@H](N(C)Cc1ccccn1)C(F)(F)F ZINC000043377324 175030004 /nfs/dbraw/zinc/03/00/04/175030004.db2.gz XZVHULMRGDYIAT-QWRGUYRKSA-N 1 0 261.291 2.182 10 0 CEAERO C[C@H]([NH3+])[C@@H](N(C)Cc1cccs1)C(F)(F)F ZINC000043377216 175030009 /nfs/dbraw/zinc/03/00/09/175030009.db2.gz LTUFNXJANNOCTG-IONNQARKSA-N 1 0 252.305 2.458 10 0 CEAERO C[C@H]([NH3+])[C@@H](Oc1ccc2c(c1)CCC(=O)N2)C(F)(F)F ZINC000043383328 175031301 /nfs/dbraw/zinc/03/13/01/175031301.db2.gz QPYKRTBKKVUXDA-JVXZTZIISA-N 1 0 288.269 2.228 10 0 CEAERO Cc1cc(C)cc([C@H](C[NH3+])N2CCSCC2)c1 ZINC000043393952 175034751 /nfs/dbraw/zinc/03/47/51/175034751.db2.gz XTXDECQGDIRQAV-AWEZNQCLSA-N 1 0 250.411 2.352 10 0 CEAERO CC[C@H](C)N(CCOC)c1nc(C)ccc1C[NH3+] ZINC000043395999 175035722 /nfs/dbraw/zinc/03/57/22/175035722.db2.gz QMWIRHLZUSYCDI-LBPRGKRZSA-N 1 0 251.374 2.100 10 0 CEAERO CC[C@H]([NH2+][C@@H]1CCNC1=O)c1cccc(Br)c1 ZINC000658052649 415175604 /nfs/dbraw/zinc/17/56/04/415175604.db2.gz FQPYPRVMZHJNQH-NWDGAFQWSA-N 1 0 297.196 2.378 10 0 CEAERO CC[NH2+][C@H](c1ccc(C)cc1)[C@H](C)N1CCOCC1 ZINC000043808399 175109194 /nfs/dbraw/zinc/10/91/94/175109194.db2.gz UDCSNFWQMDMCHN-HOCLYGCPSA-N 1 0 262.397 2.366 10 0 CEAERO CC[NH2+][C@@H](CN1C[C@@H](C)O[C@@H](C)C1)c1cccc(OC)c1 ZINC000043811517 175110866 /nfs/dbraw/zinc/11/08/66/175110866.db2.gz SLXMCYHPCJPUSZ-VBQJREDUSA-N 1 0 292.423 2.455 10 0 CEAERO CCN(C[C@@H]([NH2+]C)c1ccc2c(c1)OCO2)C(C)C ZINC000043824091 175114536 /nfs/dbraw/zinc/11/45/36/175114536.db2.gz RRUMAMDKBPDBBQ-CYBMUJFWSA-N 1 0 264.369 2.406 10 0 CEAERO CC[NH2+][C@H](CN1CCC(OC)CC1)c1cccc(OC)c1 ZINC000043890223 175118151 /nfs/dbraw/zinc/11/81/51/175118151.db2.gz HFLKDIQGPHBTQZ-QGZVFWFLSA-N 1 0 292.423 2.457 10 0 CEAERO CC[NH2+][C@H](CN1CCOC[C@@H]1C)c1ccc(C)cc1 ZINC000043891351 175118355 /nfs/dbraw/zinc/11/83/55/175118355.db2.gz KKSUVKPHLGRVHS-GOEBONIOSA-N 1 0 262.397 2.366 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2CC[C@@H]1N1CCOC[C@@H]1C ZINC000043891630 175118836 /nfs/dbraw/zinc/11/88/36/175118836.db2.gz LFYQZLOPIOXALV-RRQGHBQHSA-N 1 0 274.408 2.373 10 0 CEAERO CC[C@@H]1CC[C@@H]([NH2+]C)[C@H](N(C)C2CCOCC2)C1 ZINC000043898153 175120930 /nfs/dbraw/zinc/12/09/30/175120930.db2.gz UAWXYWJJUMKVLA-BPLDGKMQSA-N 1 0 254.418 2.264 10 0 CEAERO CCC[NH2+][C@@H]1CCCC[C@H]1N(C)C1CCOCC1 ZINC000043898757 175121269 /nfs/dbraw/zinc/12/12/69/175121269.db2.gz ABHBCHKYJPMHCW-HUUCEWRRSA-N 1 0 254.418 2.408 10 0 CEAERO C[NH2+][C@H](c1ccc(OC)cc1)[C@@H](C)N(C)C1CCOCC1 ZINC000043898227 175121564 /nfs/dbraw/zinc/12/15/64/175121564.db2.gz NIEITTJDYXMJLN-DYVFJYSZSA-N 1 0 292.423 2.455 10 0 CEAERO C[NH2+][C@@H]1CCCCC[C@@H]1N(C)CCc1ccncc1 ZINC000043901830 175122133 /nfs/dbraw/zinc/12/21/33/175122133.db2.gz LESLVFHJMCGILG-CVEARBPZSA-N 1 0 261.413 2.477 10 0 CEAERO CCOC1CCN(C[C@H]([NH2+]C)c2ccc(OC)cc2)CC1 ZINC000043907003 175122465 /nfs/dbraw/zinc/12/24/65/175122465.db2.gz BVGPNKWCRWQXES-KRWDZBQOSA-N 1 0 292.423 2.457 10 0 CEAERO CC[NH2+][C@@H]1CCOC[C@H]1N(C)Cc1ccc(F)cc1 ZINC000043911285 175123871 /nfs/dbraw/zinc/12/38/71/175123871.db2.gz CVSTZLVWHRLETG-HUUCEWRRSA-N 1 0 266.360 2.025 10 0 CEAERO CCC[NH2+][C@@H]1CCOC[C@H]1N1CCC(CC)CC1 ZINC000043913620 175124228 /nfs/dbraw/zinc/12/42/28/175124228.db2.gz SLFIPWPWKMDSGX-HUUCEWRRSA-N 1 0 254.418 2.266 10 0 CEAERO C[NH2+][C@H]1CC[C@H](c2ccccc2)C[C@@H]1N(C)CCOC ZINC000043915359 175124264 /nfs/dbraw/zinc/12/42/64/175124264.db2.gz YILKSEIMRJYWMF-ULQDDVLXSA-N 1 0 276.424 2.489 10 0 CEAERO CC[NH2+][C@H](c1ccccc1)[C@H](C)N(CCOC)CCOC ZINC000043912700 175124663 /nfs/dbraw/zinc/12/46/63/175124663.db2.gz MABAKVLGPFUXFP-RDJZCZTQSA-N 1 0 294.439 2.321 10 0 CEAERO C[NH2+][C@@H](c1ccc(C)cc1)[C@@H](C)N(C)CCOC ZINC000043915444 175125072 /nfs/dbraw/zinc/12/50/72/175125072.db2.gz VHTZYKWLISNYGT-UKRRQHHQSA-N 1 0 250.386 2.222 10 0 CEAERO C[NH2+][C@@H](CN(C)CCOC)c1cc2ccccc2o1 ZINC000043915582 175125115 /nfs/dbraw/zinc/12/51/15/175125115.db2.gz OCOLEGXRXWKZIO-ZDUSSCGKSA-N 1 0 262.353 2.272 10 0 CEAERO CC[NH2+][C@@H](CN(C)CCOC)c1ccccc1C ZINC000043915932 175125174 /nfs/dbraw/zinc/12/51/74/175125174.db2.gz HLBIRBPZCKHIKR-HNNXBMFYSA-N 1 0 250.386 2.224 10 0 CEAERO CC[NH2+][C@H](CN(C)CCOC)c1ccc(OCC)cc1 ZINC000043915923 175125200 /nfs/dbraw/zinc/12/52/00/175125200.db2.gz BXBVPCVSBZSNJK-MRXNPFEDSA-N 1 0 280.412 2.314 10 0 CEAERO C[NH2+][C@H]1CCCCCC[C@@H]1N1CCOCC1(C)C ZINC000043916652 175125533 /nfs/dbraw/zinc/12/55/33/175125533.db2.gz RVKLUIUZTLOEMU-KBPBESRZSA-N 1 0 254.418 2.408 10 0 CEAERO C[NH2+][C@@H](c1ccccc1)[C@H](C)N1CCOCC1(C)C ZINC000043916607 175125652 /nfs/dbraw/zinc/12/56/52/175125652.db2.gz WRMCWNCVRDCCFS-DZGCQCFKSA-N 1 0 262.397 2.446 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2C[C@@H]1N(C)C[C@@H]1CCCO1 ZINC000043966097 175127342 /nfs/dbraw/zinc/12/73/42/175127342.db2.gz ZCTXKHNODDQSIC-BHYGNILZSA-N 1 0 274.408 2.373 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2OC[C@H]1N(C)C[C@@H]1CCCO1 ZINC000043966164 175127979 /nfs/dbraw/zinc/12/79/79/175127979.db2.gz QPMMTRBJCOZGSE-YSVLISHTSA-N 1 0 290.407 2.209 10 0 CEAERO CC[NH2+][C@@H]1CCCC[C@@H]1N(CC)C[C@@H]1CCCO1 ZINC000043966877 175127989 /nfs/dbraw/zinc/12/79/89/175127989.db2.gz UXDLSLZEOABBGR-ZNMIVQPWSA-N 1 0 254.418 2.408 10 0 CEAERO CCCN(CC1CC1)[C@H]1CC2(CC[C@@H]1[NH2+]CC)OCCO2 ZINC000043967452 175128327 /nfs/dbraw/zinc/12/83/27/175128327.db2.gz YGFXGTSBFJGTCG-HOTGVXAUSA-N 1 0 296.455 2.382 10 0 CEAERO C[NH2+][C@@H](CN(C)Cc1cnn(C)c1)c1ccc(C)c(C)c1 ZINC000043967192 175128470 /nfs/dbraw/zinc/12/84/70/175128470.db2.gz LXWLUJKGPNZELO-KRWDZBQOSA-N 1 0 286.423 2.429 10 0 CEAERO CCC[NH2+][C@H](CC)[C@@H](C)N(C)Cc1cnn(C)c1 ZINC000043967314 175128646 /nfs/dbraw/zinc/12/86/46/175128646.db2.gz WITFYBVLCXRRQI-TZMCWYRMSA-N 1 0 252.406 2.019 10 0 CEAERO C[NH2+][C@@H]1CCCCCC[C@H]1N(C)Cc1cnn(C)c1 ZINC000043967145 175128681 /nfs/dbraw/zinc/12/86/81/175128681.db2.gz WOKSLRRVHSVYKA-HUUCEWRRSA-N 1 0 264.417 2.163 10 0 CEAERO CCC[NH2+][C@@H]1c2ccccc2OC[C@@H]1N(C)[C@@H](C)COC ZINC000043969531 175130302 /nfs/dbraw/zinc/13/03/02/175130302.db2.gz ONJLETLKZPEUNQ-JLJPHGGASA-N 1 0 292.423 2.455 10 0 CEAERO C[NH2+][C@H]1c2ccccc2C[C@@H]1N(CCOC)CC(C)C ZINC000043970263 175131011 /nfs/dbraw/zinc/13/10/11/175131011.db2.gz OEWOKZCSUXIEGM-IRXDYDNUSA-N 1 0 276.424 2.476 10 0 CEAERO CC[NH2+][C@@H]1CCCCC[C@H]1N(CCOC)C1CC1 ZINC000043969896 175131539 /nfs/dbraw/zinc/13/15/39/175131539.db2.gz AZZRDQSOUYUTTF-HUUCEWRRSA-N 1 0 254.418 2.408 10 0 CEAERO CCn1cc([C@@H](C)[NH2+][C@H]2CCCN(CC)C2)cn1 ZINC000044500066 175185134 /nfs/dbraw/zinc/18/51/34/175185134.db2.gz RKUXVVUJFIZESQ-OCCSQVGLSA-N 1 0 250.390 2.038 10 0 CEAERO COc1cc(CN2CCCC[C@@H]2C[NH3+])cc(OC)c1 ZINC000044539781 175200494 /nfs/dbraw/zinc/20/04/94/175200494.db2.gz LFXKHVJLHFRZJG-CYBMUJFWSA-N 1 0 264.369 2.017 10 0 CEAERO Cc1nc(COc2ccc3c(c2)CCC[C@H]3[NH3+])no1 ZINC000044732434 175241006 /nfs/dbraw/zinc/24/10/06/175241006.db2.gz RMNJIANQJUIBPK-CYBMUJFWSA-N 1 0 259.309 2.293 10 0 CEAERO C[C@H](Oc1ccc2c(c1)CCC[C@@H]2[NH3+])C(=O)N1CCCC1 ZINC000044744895 175241134 /nfs/dbraw/zinc/24/11/34/175241134.db2.gz ZQGATFIUPGNCLS-LRDDRELGSA-N 1 0 288.391 2.412 10 0 CEAERO CN(Cc1ccco1)C(=O)C1(C[NH3+])CCCCC1 ZINC000044762658 175246631 /nfs/dbraw/zinc/24/66/31/175246631.db2.gz SPRZOKVBTBWFQL-UHFFFAOYSA-N 1 0 250.342 2.147 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)Nc1ccc(OC(F)F)cc1 ZINC000044800119 175255494 /nfs/dbraw/zinc/25/54/94/175255494.db2.gz XQMVIWFMWYTUHN-QMMMGPOBSA-N 1 0 258.268 2.211 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000044801285 175255829 /nfs/dbraw/zinc/25/58/29/175255829.db2.gz NSFMVSHXOBWCGD-OLZOCXBDSA-N 1 0 270.417 2.215 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N[C@H](C)c1ccccc1F ZINC000044806325 175256522 /nfs/dbraw/zinc/25/65/22/175256522.db2.gz MNNGCXSZVODHND-GHMZBOCLSA-N 1 0 252.333 2.378 10 0 CEAERO C[C@H]([NH3+])c1cccc(NC(=O)NC[C@H]2CCCOC2)c1 ZINC000044981672 175283509 /nfs/dbraw/zinc/28/35/09/175283509.db2.gz WOKQKUUZUQIFMK-NWDGAFQWSA-N 1 0 277.368 2.254 10 0 CEAERO Cc1nccc(CNC(=O)Nc2cccc([C@@H](C)[NH3+])c2)n1 ZINC000044984716 175283918 /nfs/dbraw/zinc/28/39/18/175283918.db2.gz YXYZIQNHIBDOAG-SNVBAGLBSA-N 1 0 285.351 2.126 10 0 CEAERO Cc1nccc(Cn2c(N)[nH+]c3cccc(Cl)c32)n1 ZINC000045005488 175288233 /nfs/dbraw/zinc/28/82/33/175288233.db2.gz YHDSLBQDWWTDKL-UHFFFAOYSA-N 1 0 273.727 2.419 10 0 CEAERO COCC[C@@](C)(C[NH3+])N(C)[C@@H](C)c1cccs1 ZINC000045043571 175295566 /nfs/dbraw/zinc/29/55/66/175295566.db2.gz QEVIDBRKPLMZAQ-AAEUAGOBSA-N 1 0 256.415 2.495 10 0 CEAERO CCOC(=O)[C@](C)(CCOC)NCc1ccccc1 ZINC000045044166 175295820 /nfs/dbraw/zinc/29/58/20/175295820.db2.gz FUAVQGQHHBLWKV-HNNXBMFYSA-N 1 0 265.353 2.135 10 0 CEAERO CCCNC(=O)CC[NH2+][C@@H]1CCOc2ccc(OC)cc21 ZINC000045072879 175302211 /nfs/dbraw/zinc/30/22/11/175302211.db2.gz QJTRJJYRIVCYMI-CQSZACIVSA-N 1 0 292.379 2.025 10 0 CEAERO C[C@@H](CNc1ccc(N)cc1Br)[NH+](C)C ZINC000045106104 175307439 /nfs/dbraw/zinc/30/74/39/175307439.db2.gz SNEFLMCBULJBBU-QMMMGPOBSA-N 1 0 272.190 2.393 10 0 CEAERO C[C@H](CNC(=O)[C@@H]1C[C@@H](C)Nc2ccccc21)[NH+](C)C ZINC000045109892 175309486 /nfs/dbraw/zinc/30/94/86/175309486.db2.gz XXKNQLWZVIUXMC-YRGRVCCFSA-N 1 0 275.396 2.041 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]C2CCC(O)CC2)c1C ZINC000045167438 175319280 /nfs/dbraw/zinc/31/92/80/175319280.db2.gz DJYVOYWFEDLKNS-FNBIGBAISA-N 1 0 265.401 2.474 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)NCC(C)(C)C[NH+](C)C ZINC000045167180 175319343 /nfs/dbraw/zinc/31/93/43/175319343.db2.gz TYBNEIWEBNJZJY-LLVKDONJSA-N 1 0 266.433 2.275 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)[NH2+][C@H](CO)CC(C)C ZINC000045172212 175321539 /nfs/dbraw/zinc/32/15/39/175321539.db2.gz PXYIPCUVRNPODC-MFKMUULPSA-N 1 0 253.390 2.095 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)[NH2+][C@@H](C)CN1CCCC1 ZINC000045172378 175321947 /nfs/dbraw/zinc/32/19/47/175321947.db2.gz XRZSKUYQGWIJPJ-NWDGAFQWSA-N 1 0 264.417 2.172 10 0 CEAERO CCOC(=O)[C@@](C)(C[NH+]1CCCCCCC1)NC1CC1 ZINC000045223707 175331176 /nfs/dbraw/zinc/33/11/76/175331176.db2.gz JUOUXJWRKDSTCE-MRXNPFEDSA-N 1 0 282.428 2.326 10 0 CEAERO CCCN[C@](C)(CN1CCc2ccccc21)C(=O)OCC ZINC000045224256 175332127 /nfs/dbraw/zinc/33/21/27/175332127.db2.gz MMKVZZDGRDJNRN-QGZVFWFLSA-N 1 0 290.407 2.371 10 0 CEAERO CCOC(=O)[C@@](C)(CC[NH+]1CCC(C)CC1)NC(C)C ZINC000045225581 175333024 /nfs/dbraw/zinc/33/30/24/175333024.db2.gz IYJUYCUPBADGSX-MRXNPFEDSA-N 1 0 284.444 2.428 10 0 CEAERO CCCN[C@@](C)(CC[NH+]1CCCCC1)C(=O)OCC ZINC000045230120 175334100 /nfs/dbraw/zinc/33/41/00/175334100.db2.gz VYXRCAZRFJCZBK-HNNXBMFYSA-N 1 0 270.417 2.184 10 0 CEAERO CCOC(=O)[C@@](C[N@H+](C)C(C)C)(NC)c1ccccc1 ZINC000045229354 175334134 /nfs/dbraw/zinc/33/41/34/175334134.db2.gz KAJOPENJXLXCSW-INIZCTEOSA-N 1 0 278.396 2.005 10 0 CEAERO CCC[NH+](CCC)CC[C@@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045230413 175334575 /nfs/dbraw/zinc/33/45/75/175334575.db2.gz NSRGUIGULUAAIH-CQSZACIVSA-N 1 0 258.406 2.340 10 0 CEAERO COC(=O)[C@](C)(CC[N@H+]1[C@H](C)CCC[C@@H]1C)NC1CC1 ZINC000045231987 175335422 /nfs/dbraw/zinc/33/54/22/175335422.db2.gz DYRMMANWQHVAST-ZENOOKHLSA-N 1 0 282.428 2.323 10 0 CEAERO CCOC(=O)[C@](C)(C[N@H+](CC)CC(C)C)NC1CC1 ZINC000045264148 175337785 /nfs/dbraw/zinc/33/77/85/175337785.db2.gz GLDXHVJPAZNUQE-HNNXBMFYSA-N 1 0 270.417 2.038 10 0 CEAERO CCC[N@H+](C)C[C@@](NCC)(C(=O)OC)c1ccccc1 ZINC000045264318 175338267 /nfs/dbraw/zinc/33/82/67/175338267.db2.gz NTZKPEKAJPAFAA-INIZCTEOSA-N 1 0 278.396 2.006 10 0 CEAERO CCN[C@@](C)(CC[N@H+](C)[C@@H](C)C(C)C)C(=O)OCC ZINC000045269940 175341564 /nfs/dbraw/zinc/34/15/64/175341564.db2.gz TZWJFYHINCZAJA-ZFWWWQNUSA-N 1 0 272.433 2.284 10 0 CEAERO CCC(CC)[N@H+](C)C[C@](NC)(C(=O)OC)c1ccccc1 ZINC000045269583 175341590 /nfs/dbraw/zinc/34/15/90/175341590.db2.gz SYVSENPQZDMHLE-QGZVFWFLSA-N 1 0 292.423 2.395 10 0 CEAERO CCCCC[N@H+](CC[C@](C)(NC)C(=O)OC)C(C)C ZINC000045278623 175348755 /nfs/dbraw/zinc/34/87/55/175348755.db2.gz ISLMKOTVKWYKAQ-HNNXBMFYSA-N 1 0 272.433 2.428 10 0 CEAERO CCOC(=O)[C@@](C)(N)CC[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000045279094 175349615 /nfs/dbraw/zinc/34/96/15/175349615.db2.gz QCORZRHLRWRFAO-GUTXKFCHSA-N 1 0 270.417 2.168 10 0 CEAERO CCCN[C@@](C)(C[N@H+](CC1CC1)C(C)C)C(=O)OCC ZINC000045280979 175351392 /nfs/dbraw/zinc/35/13/92/175351392.db2.gz OOXOZXBXGMEWTB-INIZCTEOSA-N 1 0 284.444 2.428 10 0 CEAERO CCN[C@@](C)(CC[NH+]1CCC(CC)CC1)C(=O)OC ZINC000045281447 175351991 /nfs/dbraw/zinc/35/19/91/175351991.db2.gz OUKDMPIJKZOBPH-HNNXBMFYSA-N 1 0 270.417 2.040 10 0 CEAERO CCCC[N@H+](C[C@@](N)(C(N)=O)c1ccccc1)[C@@H](C)CC ZINC000045282488 175353072 /nfs/dbraw/zinc/35/30/72/175353072.db2.gz SPBPUYAATCKXRI-YOEHRIQHSA-N 1 0 291.439 2.227 10 0 CEAERO C[N@H+](CCC(=O)c1cnccn1)Cc1ccccc1 ZINC000045336388 175360822 /nfs/dbraw/zinc/36/08/22/175360822.db2.gz YSOUZVBGINGWBX-UHFFFAOYSA-N 1 0 255.321 2.181 10 0 CEAERO CCN[C@](C)(CCCC[N@@H+]1CCC[C@@H]1C)C(=O)OC ZINC000045367789 175363304 /nfs/dbraw/zinc/36/33/04/175363304.db2.gz ZUDKPRQUGGCYQW-DZGCQCFKSA-N 1 0 270.417 2.182 10 0 CEAERO CC(C)[NH2+][C@](C)(CCCN1CCc2ccccc21)C(N)=O ZINC000045372862 175364980 /nfs/dbraw/zinc/36/49/80/175364980.db2.gz TXILILJVDDCIIX-QGZVFWFLSA-N 1 0 289.423 2.071 10 0 CEAERO CC(C)[NH2+][C@@](C)(CCC[NH+]1CCCCC1)C(=O)[O-] ZINC000045378308 175367831 /nfs/dbraw/zinc/36/78/31/175367831.db2.gz YNYMEDQPVWVVKZ-AWEZNQCLSA-N 1 0 256.390 2.094 10 0 CEAERO CCCN[C@@](C)(CCC[N@H+](C)CC(C)C)C(=O)OC ZINC000045381015 175370093 /nfs/dbraw/zinc/37/00/93/175370093.db2.gz TXTQWVXUVDIXQS-HNNXBMFYSA-N 1 0 272.433 2.286 10 0 CEAERO CCOC(=O)[C@](C)(CCC[N@H+](C)CC(C)C)NC1CC1 ZINC000045381059 175370419 /nfs/dbraw/zinc/37/04/19/175370419.db2.gz NPSRTTAWHQDVFR-INIZCTEOSA-N 1 0 284.444 2.428 10 0 CEAERO CC[N@H+](CCCC[C@](C)(NC)C(=O)OC)C(C)C ZINC000045383637 175371170 /nfs/dbraw/zinc/37/11/70/175371170.db2.gz OSPJDEPKOIXETK-AWEZNQCLSA-N 1 0 258.406 2.038 10 0 CEAERO CCC[N@H+](CC)CCCC[C@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000045386850 175373006 /nfs/dbraw/zinc/37/30/06/175373006.db2.gz AOXCLEFBRXXTIX-HNNXBMFYSA-N 1 0 270.417 2.484 10 0 CEAERO CCOC(=O)[C@@H](C[N@H+](C)C1CCCCCC1)NC1CC1 ZINC000045419112 175377118 /nfs/dbraw/zinc/37/71/18/175377118.db2.gz ULCLDSZOQPHGGG-OAHLLOKOSA-N 1 0 282.428 2.325 10 0 CEAERO CCN(CCCC[C@@](C)([NH3+])C(N)=O)c1cccc(F)c1 ZINC000045421318 175379700 /nfs/dbraw/zinc/37/97/00/175379700.db2.gz GRGPPNBRVDMTLY-OAHLLOKOSA-N 1 0 281.375 2.025 10 0 CEAERO CN1C[C@H](C[NH2+][C@H](c2ccccc2)C2CC2)CC1=O ZINC000658238828 415270641 /nfs/dbraw/zinc/27/06/41/415270641.db2.gz JGEVZXRBAFSKDC-BLLLJJGKSA-N 1 0 258.365 2.206 10 0 CEAERO CCC[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)[C@@H]1CC1(C)C ZINC000658240738 415273510 /nfs/dbraw/zinc/27/35/10/415273510.db2.gz JFSFMMPDHGEIRY-AGIUHOORSA-N 1 0 252.402 2.269 10 0 CEAERO CC[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1ccccc1F ZINC000658240042 415273787 /nfs/dbraw/zinc/27/37/87/415273787.db2.gz PHGAMAIUWUNRKZ-RISCZKNCSA-N 1 0 264.344 2.345 10 0 CEAERO C[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@@H](O)C2)[C@@H]1CCO ZINC000661498557 415294517 /nfs/dbraw/zinc/29/45/17/415294517.db2.gz LXZRZGXBQRVUNL-KBUPBQIOSA-N 1 0 255.402 2.020 10 0 CEAERO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCC[C@@H](OC3CCC3)C2)C1 ZINC000655495177 415305756 /nfs/dbraw/zinc/30/57/56/415305756.db2.gz LAVJRGAZLKJNBB-GZBFAFLISA-N 1 0 280.412 2.064 10 0 CEAERO COc1ccc2c(c1)CN(C(=O)[C@H]1CCC[C@@H]([NH3+])C1)C2 ZINC000655502694 415311278 /nfs/dbraw/zinc/31/12/78/415311278.db2.gz UFMGSDISJXFIPC-SMDDNHRTSA-N 1 0 274.364 2.055 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)C1CCC(F)(F)CC1 ZINC000655526907 415326731 /nfs/dbraw/zinc/32/67/31/415326731.db2.gz VZCBXZJEZREKJF-CKYFFXLPSA-N 1 0 274.355 2.172 10 0 CEAERO OCC1CC([NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000658353366 415332170 /nfs/dbraw/zinc/33/21/70/415332170.db2.gz MHGLJGUJOXUWFA-UHFFFAOYSA-N 1 0 261.365 2.095 10 0 CEAERO C[C@H]1C[C@H](CNC(=O)[C@]2(C)CCC[NH2+]2)C[C@@H](C)C1 ZINC000659344122 415533449 /nfs/dbraw/zinc/53/34/49/415533449.db2.gz YLPSLQHRUICVDJ-JLNYLFASSA-N 1 0 252.402 2.317 10 0 CEAERO Cc1cc(C)cc(CNC(=O)[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000659344705 415533542 /nfs/dbraw/zinc/53/35/42/415533542.db2.gz ANRYTUWHPYJBPI-GJZGRUSLSA-N 1 0 260.381 2.295 10 0 CEAERO COc1ccccc1N(C)[C@@]1(C[NH3+])CCOC(C)(C)C1 ZINC000070365491 175894927 /nfs/dbraw/zinc/89/49/27/175894927.db2.gz SZGOPXVORLPLJH-INIZCTEOSA-N 1 0 278.396 2.418 10 0 CEAERO CC[NH2+][C@@H](C)[C@H](O)c1ccc(OC)c(OC(F)F)c1 ZINC000070398916 175909852 /nfs/dbraw/zinc/90/98/52/175909852.db2.gz UNJARHAJNCZLGE-UFBFGSQYSA-N 1 0 275.295 2.328 10 0 CEAERO CC[NH2+][C@H](Cc1nc(C)cs1)Cc1cccnc1N 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10 0 CEAERO Cc1cc(C(=O)N(CC[NH3+])C2CCCC2)c(C)o1 ZINC000070943641 176016292 /nfs/dbraw/zinc/01/62/92/176016292.db2.gz YASGITRECKGFFB-UHFFFAOYSA-N 1 0 250.342 2.240 10 0 CEAERO CCCn1c(C[NH3+])nnc1SCc1ccccc1 ZINC000070945078 176016585 /nfs/dbraw/zinc/01/65/85/176016585.db2.gz ANHKWKDJHKNSHA-UHFFFAOYSA-N 1 0 262.382 2.439 10 0 CEAERO [NH3+]CCN(C(=O)[C@H]1CCOc2ccccc21)C1CCCC1 ZINC000070943521 176016684 /nfs/dbraw/zinc/01/66/84/176016684.db2.gz ADZGFZVOVTYZJK-HNNXBMFYSA-N 1 0 288.391 2.283 10 0 CEAERO [NH3+]CCN(CC(=O)NC1CCCCCC1)C1CCCC1 ZINC000070975459 176017810 /nfs/dbraw/zinc/01/78/10/176017810.db2.gz FRGCJTSZORSPBM-UHFFFAOYSA-N 1 0 281.444 2.029 10 0 CEAERO CC(C)N1C(=O)CC[C@@H]([NH3+])[C@@H]1c1cccc(F)c1 ZINC000070987007 176018396 /nfs/dbraw/zinc/01/83/96/176018396.db2.gz UVFXPDNQEXEJIK-OCCSQVGLSA-N 1 0 250.317 2.225 10 0 CEAERO Cc1ccc([C@H](C)N2CC[C@H]([NH2+]C3CC3)C2=O)s1 ZINC000071032295 176023686 /nfs/dbraw/zinc/02/36/86/176023686.db2.gz LAZJOWPKVJEHKC-JQWIXIFHSA-N 1 0 264.394 2.470 10 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DOSKPXFMIQZYLT-NSHDSACASA-N 1 0 280.755 2.206 10 0 CEAERO Cc1ccc(N2CC[C@H]([NH2+]C(C)C)C2=O)c(F)c1 ZINC000071038841 176027372 /nfs/dbraw/zinc/02/73/72/176027372.db2.gz IQTKMBYUMWMDEQ-LBPRGKRZSA-N 1 0 250.317 2.237 10 0 CEAERO CC(C)[NH2+][C@@H]1CCCN([C@@H](C)c2ccco2)C1=O ZINC000071040120 176027593 /nfs/dbraw/zinc/02/75/93/176027593.db2.gz KMLHWRUZROZNHE-NWDGAFQWSA-N 1 0 250.342 2.330 10 0 CEAERO C[NH2+][C@H]1CCCN(Cc2ccc(F)c(Cl)c2)C1=O ZINC000071042372 176028487 /nfs/dbraw/zinc/02/84/87/176028487.db2.gz SQXTWTKVAFREMN-LBPRGKRZSA-N 1 0 270.735 2.190 10 0 CEAERO C[NH2+][C@@H]1CCCN(Cc2ccccc2C(F)(F)F)C1=O ZINC000071042673 176028508 /nfs/dbraw/zinc/02/85/08/176028508.db2.gz MZBJLHXGAVCIPS-GFCCVEGCSA-N 1 0 286.297 2.416 10 0 CEAERO C[NH2+][C@@H]1CCCN(Cc2ccc(F)c(Cl)c2)C1=O ZINC000071042371 176028773 /nfs/dbraw/zinc/02/87/73/176028773.db2.gz SQXTWTKVAFREMN-GFCCVEGCSA-N 1 0 270.735 2.190 10 0 CEAERO C[C@@H](Cc1cccs1)N1CC[C@H]([NH2+]C2CC2)C1=O ZINC000071043800 176029821 /nfs/dbraw/zinc/02/98/21/176029821.db2.gz SEJBPTSSDCSBQC-GWCFXTLKSA-N 1 0 264.394 2.032 10 0 CEAERO C[C@H](Cn1ccnc1)[NH2+]C[C@H]1OCCc2ccccc21 ZINC000071090883 176031479 /nfs/dbraw/zinc/03/14/79/176031479.db2.gz FXXVMILERCASHJ-CZUORRHYSA-N 1 0 271.364 2.175 10 0 CEAERO c1ccc2c(c1)CCO[C@@H]2COC[C@@H]1CCCC[NH2+]1 ZINC000071091879 176031926 /nfs/dbraw/zinc/03/19/26/176031926.db2.gz DPZMIWFFBVXMGJ-GOEBONIOSA-N 1 0 261.365 2.459 10 0 CEAERO CCCCN(CC[NH3+])C[C@@H]1OCCc2ccccc21 ZINC000071091574 176032160 /nfs/dbraw/zinc/03/21/60/176032160.db2.gz KSUWRYVTEOFNLL-INIZCTEOSA-N 1 0 262.397 2.361 10 0 CEAERO C[NH2+]C[C@H]1CCN(c2ncccc2C(F)(F)F)C1 ZINC000071148197 176043878 /nfs/dbraw/zinc/04/38/78/176043878.db2.gz OFVWDKYINJEWRH-SECBINFHSA-N 1 0 259.275 2.146 10 0 CEAERO COc1ccc(C[C@](C)(C[NH3+])N(C)[C@@H]2CCSC2)cc1 ZINC000071169118 176050115 /nfs/dbraw/zinc/05/01/15/176050115.db2.gz XWNGHUMHCZHQLG-GDBMZVCRSA-N 1 0 294.464 2.392 10 0 CEAERO CCOC(=O)CC[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000071170370 176050940 /nfs/dbraw/zinc/05/09/40/176050940.db2.gz KNJSKYWGKGWHOM-UHFFFAOYSA-N 1 0 277.364 2.443 10 0 CEAERO Cc1c(Cl)nnc(NC[C@H]2CC[N@@H+](C)C2)c1C ZINC000071171402 176051414 /nfs/dbraw/zinc/05/14/14/176051414.db2.gz FCNVDANFGGFXLO-SNVBAGLBSA-N 1 0 254.765 2.110 10 0 CEAERO CCCOc1cncc(N(CC[NH3+])Cc2ccccc2)n1 ZINC000071175841 176054698 /nfs/dbraw/zinc/05/46/98/176054698.db2.gz PRBRRCNRSKLKDG-UHFFFAOYSA-N 1 0 286.379 2.231 10 0 CEAERO CCC[NH2+]Cc1cc(C)c(O[C@H]2CCN(C)C2=O)c(C)c1 ZINC000071182793 176058135 /nfs/dbraw/zinc/05/81/35/176058135.db2.gz BJSLDWAGLSJIRN-HNNXBMFYSA-N 1 0 290.407 2.413 10 0 CEAERO CC[NH2+][C@@H]1CCCc2cc(O[C@H]3CCN(C)C3=O)ccc21 ZINC000071183080 176058333 /nfs/dbraw/zinc/05/83/33/176058333.db2.gz KLZRIKQMEFTLHB-CVEARBPZSA-N 1 0 288.391 2.283 10 0 CEAERO CC(C)C[NH2+]Cc1cccc(O[C@H]2CCN(C)C2=O)c1 ZINC000071183171 176058424 /nfs/dbraw/zinc/05/84/24/176058424.db2.gz LUJRXRXFVIXIFK-HNNXBMFYSA-N 1 0 276.380 2.042 10 0 CEAERO C[C@H](O)c1cc(F)ccc1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189649 176065628 /nfs/dbraw/zinc/06/56/28/176065628.db2.gz RZRXSPBEIICCIT-NWDGAFQWSA-N 1 0 266.360 2.267 10 0 CEAERO Cc1csc(CCN2CCC[C@H]([NH2+]C(C)C)C2)n1 ZINC000071200233 176077890 /nfs/dbraw/zinc/07/78/90/176077890.db2.gz COTCAPPNHVOVDX-ZDUSSCGKSA-N 1 0 267.442 2.456 10 0 CEAERO Cc1cccc(OCCN2CC[C@@H]([NH2+]C(C)C)C2)c1 ZINC000071200348 176077892 /nfs/dbraw/zinc/07/78/92/176077892.db2.gz HDGSEAFWUIVMDY-OAHLLOKOSA-N 1 0 262.397 2.446 10 0 CEAERO Cc1ncsc1CCOC[C@H](O)C[NH2+][C@H]1CCC[C@@H]1C ZINC000071207734 176080805 /nfs/dbraw/zinc/08/08/05/176080805.db2.gz CLXYFKUJIXSQCK-YUTCNCBUSA-N 1 0 298.452 2.150 10 0 CEAERO C[NH2+][C@H](C)c1cccc(S(=O)(=O)N[C@H]2CCC[C@@H]2C)c1 ZINC000071209874 176082197 /nfs/dbraw/zinc/08/21/97/176082197.db2.gz NIMWVPWWQVUMJM-ZOWXZIJZSA-N 1 0 296.436 2.434 10 0 CEAERO Cc1ncsc1CN[C@@H](C)[C@H]1CCC[N@H+](C)C1 ZINC000071212670 176084173 /nfs/dbraw/zinc/08/41/73/176084173.db2.gz FDKWPOUUMXYZEK-JQWIXIFHSA-N 1 0 253.415 2.271 10 0 CEAERO COCCN(CCC[NH3+])C(=O)c1ccc(C(C)(C)C)cc1 ZINC000071222761 176088030 /nfs/dbraw/zinc/08/80/30/176088030.db2.gz ZWHAOBKBADBTFE-UHFFFAOYSA-N 1 0 292.423 2.422 10 0 CEAERO COCCN(CCC(N)=[NH2+])Cc1ccc2ncccc2c1 ZINC000071229188 176091215 /nfs/dbraw/zinc/09/12/15/176091215.db2.gz ALJUBPRJNCJTDR-UHFFFAOYSA-N 1 0 286.379 2.009 10 0 CEAERO [NH3+]Cc1cc(F)ccc1COCC1CCOCC1 ZINC000071264442 176098092 /nfs/dbraw/zinc/09/80/92/176098092.db2.gz UIBJXNCXXLSYQF-UHFFFAOYSA-N 1 0 253.317 2.228 10 0 CEAERO CCOC(=O)CCCCC[NH2+][C@H]1CCC[C@@H]1OC ZINC000071294002 176111498 /nfs/dbraw/zinc/11/14/98/176111498.db2.gz KURNPHCGECMCGL-STQMWFEESA-N 1 0 257.374 2.267 10 0 CEAERO CCOC(=O)CCCCC[NH2+]Cc1cc(C)on1 ZINC000071293953 176111661 /nfs/dbraw/zinc/11/16/61/176111661.db2.gz NVUPVBBLIWSFGR-UHFFFAOYSA-N 1 0 254.330 2.196 10 0 CEAERO CCOC(=O)CCCCC[NH2+][C@@H](CN(C)C)C(C)C ZINC000071293785 176111872 /nfs/dbraw/zinc/11/18/72/176111872.db2.gz NUXQMXOBICKXKL-AWEZNQCLSA-N 1 0 272.433 2.286 10 0 CEAERO CCOC(=O)CCCCCn1nc(C)c(C[NH2+]C)c1C ZINC000071297839 176112569 /nfs/dbraw/zinc/11/25/69/176112569.db2.gz BDOZAZHVKIEBLK-UHFFFAOYSA-N 1 0 281.400 2.343 10 0 CEAERO c1cc(CNC2=[NH+]C[C@H](C3CC3)S2)cc2c1OCO2 ZINC000071308077 176116377 /nfs/dbraw/zinc/11/63/77/176116377.db2.gz UVDHZVQKDCCQRL-CYBMUJFWSA-N 1 0 276.361 2.386 10 0 CEAERO CCN([C@@H](C)c1ccc(O)c(OC)c1)[C@H]1CC[NH2+]C1 ZINC000071311938 176118997 /nfs/dbraw/zinc/11/89/97/176118997.db2.gz FTBIFDZHOOXMDE-AAEUAGOBSA-N 1 0 264.369 2.146 10 0 CEAERO CCN(Cc1cn(C)c2ccccc12)[C@H]1CC[NH2+]C1 ZINC000071312308 176119210 /nfs/dbraw/zinc/11/92/10/176119210.db2.gz VWHJDUDEXXJYJB-AWEZNQCLSA-N 1 0 257.381 2.362 10 0 CEAERO CCN(CC(=O)N(C(C)C)C1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000071313013 176119630 /nfs/dbraw/zinc/11/96/30/176119630.db2.gz APKXEHLLFWWMSL-INIZCTEOSA-N 1 0 295.471 2.240 10 0 CEAERO CCN(CC(=O)N(C1=CCCCC1)C1CC1)[C@H]1CC[NH2+]C1 ZINC000071313167 176119749 /nfs/dbraw/zinc/11/97/49/176119749.db2.gz QUYSXWOHOOQTFU-INIZCTEOSA-N 1 0 291.439 2.119 10 0 CEAERO CCN(c1ncccc1C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000071314315 176120787 /nfs/dbraw/zinc/12/07/87/176120787.db2.gz OIGDCSZMLGZMSI-VIFPVBQESA-N 1 0 259.275 2.289 10 0 CEAERO CCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CC[NH2+]C1 ZINC000071331391 176124799 /nfs/dbraw/zinc/12/47/99/176124799.db2.gz CVMYJBSPGGASBP-GFCCVEGCSA-N 1 0 258.369 2.137 10 0 CEAERO CCCN(c1ncnc2ccsc21)[C@@H]1CC[NH2+]C1 ZINC000071332848 176125988 /nfs/dbraw/zinc/12/59/88/176125988.db2.gz PCZRBDDVRCNJDU-SNVBAGLBSA-N 1 0 262.382 2.270 10 0 CEAERO C[NH2+][C@@H](C)c1cccc(N2C(=O)c3ccncc3C2=O)c1 ZINC000071336820 176128455 /nfs/dbraw/zinc/12/84/55/176128455.db2.gz YYPPGDYYQYLWQM-JTQLQIEISA-N 1 0 281.315 2.163 10 0 CEAERO Cc1ccc(CCC(=O)NC[C@@H]2[NH2+]CCC[C@H]2C)cc1 ZINC000071338817 176129127 /nfs/dbraw/zinc/12/91/27/176129127.db2.gz MXBURYSFUFFBES-ZBFHGGJFSA-N 1 0 274.408 2.432 10 0 CEAERO C[C@@H]1CCC[NH2+][C@H]1CNC(=O)c1ccc2c(c1)CCC2 ZINC000071338674 176129184 /nfs/dbraw/zinc/12/91/84/176129184.db2.gz PCCQEPCPIUSWPX-WBMJQRKESA-N 1 0 272.392 2.293 10 0 CEAERO Cc1ccc(C)c(CC(=O)NC[C@@H]2[NH2+]CCC[C@@H]2C)c1 ZINC000071338815 176129185 /nfs/dbraw/zinc/12/91/85/176129185.db2.gz FEZRQEMAOGYDNJ-HOCLYGCPSA-N 1 0 274.408 2.350 10 0 CEAERO Cc1cccnc1C[NH2+]C[C@](C)(O)c1ccccc1 ZINC000071340132 176129990 /nfs/dbraw/zinc/12/99/90/176129990.db2.gz PHHGGXBYIBVOTD-INIZCTEOSA-N 1 0 256.349 2.387 10 0 CEAERO CC[C@H]1CN(Cc2cnn(C)c2)[C@H](c2ccccc2)C[NH2+]1 ZINC000071344486 176130766 /nfs/dbraw/zinc/13/07/66/176130766.db2.gz ISDREAKHHYNDBM-IRXDYDNUSA-N 1 0 284.407 2.345 10 0 CEAERO Cc1cccnc1CNC(=O)C1(C[NH3+])CCCCCC1 ZINC000071344256 176130812 /nfs/dbraw/zinc/13/08/12/176130812.db2.gz PMKOBGYVBRZDKE-UHFFFAOYSA-N 1 0 275.396 2.306 10 0 CEAERO CC[C@H]1CN(Cc2ncccn2)C2(CCCCC2)C[NH2+]1 ZINC000071345431 176131518 /nfs/dbraw/zinc/13/15/18/176131518.db2.gz JDMWYEHFEZAQAJ-AWEZNQCLSA-N 1 0 274.412 2.363 10 0 CEAERO CC[C@@H]1CN[C@@H](Cc2ccccc2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000071352821 176135409 /nfs/dbraw/zinc/13/54/09/176135409.db2.gz ZTCASCPKRKSFDF-OKZBNKHCSA-N 1 0 288.435 2.318 10 0 CEAERO C[C@@H]1C[NH2+][C@H](Cc2ccccc2)CN1Cc1cccnc1 ZINC000071352651 176135738 /nfs/dbraw/zinc/13/57/38/176135738.db2.gz YBKBMFFPUFDXOU-CRAIPNDOSA-N 1 0 281.403 2.487 10 0 CEAERO CCC[C@@H]1C[NH2+][C@H]([C@@H](C)CC)CN1Cc1ncccn1 ZINC000071354487 176136100 /nfs/dbraw/zinc/13/61/00/176136100.db2.gz UMNDQJJOTUXFBK-ZNMIVQPWSA-N 1 0 276.428 2.465 10 0 CEAERO CC[C@]1(C)C[N@H+](CCCn2ccnc2)[C@H](C(C)C)CN1 ZINC000071356936 176136747 /nfs/dbraw/zinc/13/67/47/176136747.db2.gz XMVAPDPVLKRFIE-JKSUJKDBSA-N 1 0 278.444 2.372 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(CCn2ccnc2C)C(C)(C)C[NH2+]1 ZINC000071355742 176136771 /nfs/dbraw/zinc/13/67/71/176136771.db2.gz QSHALNGHVUVYJZ-HIFRSBDPSA-N 1 0 278.444 2.290 10 0 CEAERO CC[C@H](C)[C@@H]1CN(CCCn2ccnc2)C(C)(C)C[NH2+]1 ZINC000071355677 176137044 /nfs/dbraw/zinc/13/70/44/176137044.db2.gz KOEMUBYPJHSCBN-GJZGRUSLSA-N 1 0 278.444 2.372 10 0 CEAERO C[C@]1(C2CC2)C[NH2+]C2(CCCC2)CN1CCn1cccn1 ZINC000071359187 176137225 /nfs/dbraw/zinc/13/72/25/176137225.db2.gz FOQOWUVKDBMBDE-MRXNPFEDSA-N 1 0 288.439 2.270 10 0 CEAERO CC[C@@]1(C)CN(Cc2ncccn2)C2(CCCC2)C[NH2+]1 ZINC000071357941 176137524 /nfs/dbraw/zinc/13/75/24/176137524.db2.gz LMJPHSDAPYKIHE-HNNXBMFYSA-N 1 0 274.412 2.363 10 0 CEAERO C(C1CCOCC1)[N@@H+]1CC2(CCCC2)NC[C@H]1C1CC1 ZINC000071358726 176137691 /nfs/dbraw/zinc/13/76/91/176137691.db2.gz BWGKKDBTIHDZIU-INIZCTEOSA-N 1 0 278.440 2.410 10 0 CEAERO COCCOCCN1CC2(CCCCC2)[NH2+]C[C@H]1C(C)C ZINC000071359575 176137823 /nfs/dbraw/zinc/13/78/23/176137823.db2.gz BRAZLGXKXMTVCS-INIZCTEOSA-N 1 0 298.471 2.282 10 0 CEAERO CCC[C@H]1C[NH2+]C2(CCCC2)CN1Cc1ncccn1 ZINC000071358409 176138007 /nfs/dbraw/zinc/13/80/07/176138007.db2.gz DZPCDPKXLATXGT-AWEZNQCLSA-N 1 0 274.412 2.363 10 0 CEAERO CCCCOCCSc1nnc(C[NH3+])n1C(C)C ZINC000071374573 176140002 /nfs/dbraw/zinc/14/00/02/176140002.db2.gz RVIVBTMMMQTUEP-UHFFFAOYSA-N 1 0 272.418 2.227 10 0 CEAERO CO[C@H]1CCCC[C@H]1[NH2+]CCN(C)C1CCCC1 ZINC000071377030 176141791 /nfs/dbraw/zinc/14/17/91/176141791.db2.gz SSACWGIKUBYGMB-CABCVRRESA-N 1 0 254.418 2.408 10 0 CEAERO C[C@H](c1cccs1)[N@H+](C)CCn1ccc(N)n1 ZINC000071378062 176142774 /nfs/dbraw/zinc/14/27/74/176142774.db2.gz SJUFXMSYORGFJW-SNVBAGLBSA-N 1 0 250.371 2.220 10 0 CEAERO COCC[N@H+](Cc1cc(C)ccc1N)[C@H](C)COC ZINC000071383894 176146908 /nfs/dbraw/zinc/14/69/08/176146908.db2.gz FFUHEZXGYAEWHJ-CYBMUJFWSA-N 1 0 266.385 2.061 10 0 CEAERO COc1ccc(C)cc1-c1nc([C@H]2CCC[NH2+]2)no1 ZINC000071396409 176150445 /nfs/dbraw/zinc/15/04/45/176150445.db2.gz QWMZJXPWQAYGQI-LLVKDONJSA-N 1 0 259.309 2.478 10 0 CEAERO COC(=O)[C@H](C)Oc1ccc(C[NH3+])cc1C(F)(F)F ZINC000071398294 176151857 /nfs/dbraw/zinc/15/18/57/176151857.db2.gz CMZRCBUVCUKIOU-ZETCQYMHSA-N 1 0 277.242 2.104 10 0 CEAERO Cc1ccc(OCCCC(=O)N(C)C)c(C[C@@H](C)[NH3+])c1 ZINC000071411797 176157020 /nfs/dbraw/zinc/15/70/20/176157020.db2.gz DXYKSCMPBBCZJC-CYBMUJFWSA-N 1 0 278.396 2.132 10 0 CEAERO CCN(CC)C(=O)[C@H](C)Oc1ccc(C)cc1CC[NH3+] ZINC000071411360 176157042 /nfs/dbraw/zinc/15/70/42/176157042.db2.gz UQTKONUKDWINNS-ZDUSSCGKSA-N 1 0 278.396 2.132 10 0 CEAERO Cc1ccc(OCC(=O)N[C@@H](C)C(C)C)c(C[C@@H](C)[NH3+])c1 ZINC000071411817 176157137 /nfs/dbraw/zinc/15/71/37/176157137.db2.gz NNIXDNCMIFPQPW-KGLIPLIRSA-N 1 0 292.423 2.424 10 0 CEAERO Cc1ccc(O[C@@H](C)C(=O)NC2CCCC2)c(CC[NH3+])c1 ZINC000071411260 176157185 /nfs/dbraw/zinc/15/71/85/176157185.db2.gz CDLCGSRFKGOKEZ-ZDUSSCGKSA-N 1 0 290.407 2.322 10 0 CEAERO Cc1ccc(OCCC(=O)NC(C)C)c(C[C@@H](C)[NH3+])c1 ZINC000071411903 176157403 /nfs/dbraw/zinc/15/74/03/176157403.db2.gz WEIDMKPHHSNCOR-CYBMUJFWSA-N 1 0 278.396 2.178 10 0 CEAERO Cc1ccc(OCCn2cccn2)c(C[C@@H](C)[NH3+])c1 ZINC000071411945 176157487 /nfs/dbraw/zinc/15/74/87/176157487.db2.gz DEELMNLNTNQLPH-CYBMUJFWSA-N 1 0 259.353 2.160 10 0 CEAERO CC[C@H]([NH3+])Cc1cc(C)ccc1O[C@@H](C)C(=O)OC ZINC000071412158 176157519 /nfs/dbraw/zinc/15/75/19/176157519.db2.gz ZDWMWMHESNCJMH-AAEUAGOBSA-N 1 0 265.353 2.215 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc(C)ccc1OCCC(=O)N(C)C ZINC000071412255 176157639 /nfs/dbraw/zinc/15/76/39/176157639.db2.gz TUZMATZHDMHPRO-CQSZACIVSA-N 1 0 278.396 2.132 10 0 CEAERO Cc1ccncc1NC(=O)[C@H](C[NH3+])Cc1ccccc1 ZINC000071414055 176158903 /nfs/dbraw/zinc/15/89/03/176158903.db2.gz RXXATQWLNDEJTO-AWEZNQCLSA-N 1 0 269.348 2.146 10 0 CEAERO COc1cc(OC)c(OC)cc1C[C@H]1CCC[NH2+]1 ZINC000071477167 176187715 /nfs/dbraw/zinc/18/77/15/176187715.db2.gz OPBBOUXPWANWAY-LLVKDONJSA-N 1 0 251.326 2.007 10 0 CEAERO CC(C)Oc1ccc2c(ccn(CC[NH+](C)C)c2=O)c1 ZINC000071501254 176191977 /nfs/dbraw/zinc/19/19/77/176191977.db2.gz FMDFPCSPVPEEJH-UHFFFAOYSA-N 1 0 274.364 2.350 10 0 CEAERO CCc1cc2c(nc(SC)n(CC[NH+](C)C)c2=O)s1 ZINC000071513350 176192982 /nfs/dbraw/zinc/19/29/82/176192982.db2.gz AVSSCQLZCGWSMQ-UHFFFAOYSA-N 1 0 297.449 2.304 10 0 CEAERO Brc1cccc(CCC2=[NH+]CCN2)c1 ZINC000071574529 176201399 /nfs/dbraw/zinc/20/13/99/176201399.db2.gz IELGBNZEBFKAAL-UHFFFAOYSA-N 1 0 253.143 2.383 10 0 CEAERO COc1ccc(F)cc1[C@@](C)(O)[C@@H]1CCC[NH2+]C1 ZINC000071574658 176201518 /nfs/dbraw/zinc/20/15/18/176201518.db2.gz DARRELMNQJDJDW-YGRLFVJLSA-N 1 0 253.317 2.041 10 0 CEAERO Brc1cccc([C@@H]2C[NH2+]CCOC2)c1 ZINC000071577310 176205572 /nfs/dbraw/zinc/20/55/72/176205572.db2.gz BUROSXCEBJVSBB-SNVBAGLBSA-N 1 0 256.143 2.153 10 0 CEAERO c1[nH]c2ccccc2c1CCCCN1CC[NH2+]CC1 ZINC000071582939 176207944 /nfs/dbraw/zinc/20/79/44/176207944.db2.gz QYXDWAKEXSQZGJ-UHFFFAOYSA-N 1 0 257.381 2.396 10 0 CEAERO CCCOc1ccc(/C=C/CN2CC[NH2+]CC2)cc1 ZINC000071586850 176213690 /nfs/dbraw/zinc/21/36/90/176213690.db2.gz AURCNLYTALXLKZ-ONEGZZNKSA-N 1 0 260.381 2.394 10 0 CEAERO [NH3+][C@H](CO)c1ccc(Br)c(Cl)c1 ZINC000072199136 176339852 /nfs/dbraw/zinc/33/98/52/176339852.db2.gz MAQPLFXZWZJVQQ-MRVPVSSYSA-N 1 0 250.523 2.095 10 0 CEAERO Cc1nnc(N2CCC[C@@H](C3CC[NH2+]CC3)C2)s1 ZINC000656609227 415785713 /nfs/dbraw/zinc/78/57/13/415785713.db2.gz RRPLIVFWKWWDSA-GFCCVEGCSA-N 1 0 266.414 2.063 10 0 CEAERO CC[C@H]([NH2+]C)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000662368123 415808473 /nfs/dbraw/zinc/80/84/73/415808473.db2.gz KRBPMSKHMORKSC-GUBZILKMSA-N 1 0 266.307 2.222 10 0 CEAERO CC(=O)N1CCc2cc([C@H](O)CC[NH2+]C(C)(C)C)ccc21 ZINC000075251071 176678861 /nfs/dbraw/zinc/67/88/61/176678861.db2.gz AHKWXYKXODDWMF-MRXNPFEDSA-N 1 0 290.407 2.407 10 0 CEAERO C[NH2+]CC[C@H](O)CN(C)c1cc(Cl)ccc1C ZINC000076306069 176976595 /nfs/dbraw/zinc/97/65/95/176976595.db2.gz RXWMLAPCFQYXTK-LBPRGKRZSA-N 1 0 256.777 2.055 10 0 CEAERO C[NH2+][C@@H](C(=O)c1c(C)cc(OC)cc1OC)C(C)C ZINC000076372369 177008272 /nfs/dbraw/zinc/00/82/72/177008272.db2.gz GLULGVVOPKRINU-CQSZACIVSA-N 1 0 265.353 2.439 10 0 CEAERO CC(C)(C[NH3+])C(=O)Nc1ccccc1Br ZINC000076409350 177020233 /nfs/dbraw/zinc/02/02/33/177020233.db2.gz BUTXUCCHHNQDBU-UHFFFAOYSA-N 1 0 271.158 2.373 10 0 CEAERO C[NH2+]CCC(=O)OCc1ccccc1Br ZINC000076413187 177021245 /nfs/dbraw/zinc/02/12/45/177021245.db2.gz UYRDJWAVEILMEZ-UHFFFAOYSA-N 1 0 272.142 2.102 10 0 CEAERO O=C(OCc1ccccc1Br)C1CC[NH2+]CC1 ZINC000076574102 177041202 /nfs/dbraw/zinc/04/12/02/177041202.db2.gz DKEVXRNEQJQKLO-UHFFFAOYSA-N 1 0 298.180 2.492 10 0 CEAERO COc1ccc(C)cc1NC(=O)CC[C@@H](C)C[NH3+] ZINC000076654799 177044320 /nfs/dbraw/zinc/04/43/20/177044320.db2.gz RMBUNIGZGUFIKH-LLVKDONJSA-N 1 0 250.342 2.317 10 0 CEAERO CCN(CC)C(=O)[C@H](CC[NH3+])c1ccccc1F ZINC000076656586 177045902 /nfs/dbraw/zinc/04/59/02/177045902.db2.gz MMVHWPZAYWFYEA-GFCCVEGCSA-N 1 0 252.333 2.127 10 0 CEAERO CCN(C[C@@H](C[NH3+])N1CCCCC1)c1ccccc1 ZINC000076673474 177054751 /nfs/dbraw/zinc/05/47/51/177054751.db2.gz AMHIRVUQSCQKNB-MRXNPFEDSA-N 1 0 261.413 2.326 10 0 CEAERO C[C@@H]1COC[C@]2(CCC[NH2+]C2)N1Cc1ccccc1 ZINC000076698231 177061657 /nfs/dbraw/zinc/06/16/57/177061657.db2.gz DOKNYLNVXZWKNQ-GDBMZVCRSA-N 1 0 260.381 2.030 10 0 CEAERO C[C@@H]1COC[C@H](C)[N@H+]1CCCOc1ccc2c(c1)OCO2 ZINC000077366939 177258268 /nfs/dbraw/zinc/25/82/68/177258268.db2.gz AHRIAOOAFZOEGJ-BETUJISGSA-N 1 0 293.363 2.293 10 0 CEAERO C[NH2+]C[C@@H](O)CN(C)c1ccc(C(C)(C)C)cc1 ZINC000077432352 177268456 /nfs/dbraw/zinc/26/84/56/177268456.db2.gz SUOZDFDWAZVAQA-CQSZACIVSA-N 1 0 250.386 2.001 10 0 CEAERO CC(C)(C)OC[C@H](O)C[NH2+][C@](C)(CO)C1CCCCC1 ZINC000077656074 177291623 /nfs/dbraw/zinc/29/16/23/177291623.db2.gz LIVPVRWEUBXQLS-GDBMZVCRSA-N 1 0 287.444 2.083 10 0 CEAERO C[C@H]([NH2+]CC1(O)CCCCC1)C(=O)Nc1ccccc1 ZINC000078515919 177349071 /nfs/dbraw/zinc/34/90/71/177349071.db2.gz QHCAVFZDTDICNW-ZDUSSCGKSA-N 1 0 276.380 2.298 10 0 CEAERO Cc1cc(N[C@@H](C)CS(C)(=O)=O)c2ccccc2[nH+]1 ZINC000078637863 177363090 /nfs/dbraw/zinc/36/30/90/177363090.db2.gz WZMUBFBFRYCELJ-NSHDSACASA-N 1 0 278.377 2.388 10 0 CEAERO CCOc1cc2c(cc1C[NH2+]CC[C@@H](C)O)O[C@@H](C)C2 ZINC000078781953 177387661 /nfs/dbraw/zinc/38/76/61/177387661.db2.gz YXNOVPBJOSIUAN-NEPJUHHUSA-N 1 0 279.380 2.269 10 0 CEAERO COCC[NH2+]CCCCc1ccc(OC)c(OC)c1 ZINC000078783147 177387820 /nfs/dbraw/zinc/38/78/20/177387820.db2.gz OAJZKJRHQXFSTI-UHFFFAOYSA-N 1 0 267.369 2.263 10 0 CEAERO C[C@@H](CC[NH3+])CCC(=O)NC[C@@H]1Cc2ccccc21 ZINC000079117903 177436409 /nfs/dbraw/zinc/43/64/09/177436409.db2.gz UKDYKRSSEKVYHB-OCCSQVGLSA-N 1 0 260.381 2.208 10 0 CEAERO CCC[C@H](CC[NH3+])CCC(=O)NC[C@@H]1CCCOC1 ZINC000079238995 177453736 /nfs/dbraw/zinc/45/37/36/177453736.db2.gz TUZXEWJLTFGFEX-KBPBESRZSA-N 1 0 270.417 2.075 10 0 CEAERO CCC[C@@H](CC[NH3+])CCC(=O)N(CC)C[C@@H]1CCOC1 ZINC000079238882 177453768 /nfs/dbraw/zinc/45/37/68/177453768.db2.gz NASSAUZRJOORNZ-CABCVRRESA-N 1 0 284.444 2.417 10 0 CEAERO Cc1n[nH]cc1CNC(=O)CC[C@H](CC[NH3+])C(C)(C)C ZINC000079309317 177467494 /nfs/dbraw/zinc/46/74/94/177467494.db2.gz CMEZYDVQBSCXNQ-CYBMUJFWSA-N 1 0 280.416 2.126 10 0 CEAERO CCC[C@@H](COC)[NH2+]C[C@H](O)COc1c(C)cccc1C ZINC000079743252 177549013 /nfs/dbraw/zinc/54/90/13/177549013.db2.gz GXXRDZDUNFHNCK-HOTGVXAUSA-N 1 0 295.423 2.448 10 0 CEAERO CCC1CCC(NC(=O)NC(C)(C)C)(C(N)=[NH2+])CC1 ZINC000079779263 177557639 /nfs/dbraw/zinc/55/76/39/177557639.db2.gz VKKURTIJGMBXSY-UHFFFAOYSA-N 1 0 268.405 2.359 10 0 CEAERO NC(=S)[C@H]1CCC[N@@H+]1Cc1cccc2cccnc21 ZINC000079805236 177561889 /nfs/dbraw/zinc/56/18/89/177561889.db2.gz GKPGNMGWXIODJE-CYBMUJFWSA-N 1 0 271.389 2.485 10 0 CEAERO Cc1cc2c(n1C[C@H]1CCC(=O)N1)CC(C)(C)C[C@H]2[NH3+] ZINC000079938558 177584513 /nfs/dbraw/zinc/58/45/13/177584513.db2.gz LAXXCCYHJZKKBW-DGCLKSJQSA-N 1 0 275.396 2.047 10 0 CEAERO COc1cccc([C@H](C[NH3+])n2cc(Cl)c(C)n2)c1 ZINC000080009085 177594424 /nfs/dbraw/zinc/59/44/24/177594424.db2.gz DANRKQWMVKGCCU-ZDUSSCGKSA-N 1 0 265.744 2.402 10 0 CEAERO COc1ccccc1[C@H](C[NH3+])n1cc(Cl)c(C)n1 ZINC000080009643 177594483 /nfs/dbraw/zinc/59/44/83/177594483.db2.gz XNVZQPBZLLFHDA-LBPRGKRZSA-N 1 0 265.744 2.402 10 0 CEAERO COC[C@@H](C)n1nc(C)c(CC[NH2+]CC(C)C)c1C ZINC000080065086 177604117 /nfs/dbraw/zinc/60/41/17/177604117.db2.gz QRNJWYZGVJUJTD-GFCCVEGCSA-N 1 0 267.417 2.495 10 0 CEAERO CCC[NH2+]CCc1c(C)nn(C[C@@H]2CCCO2)c1C ZINC000080063645 177604212 /nfs/dbraw/zinc/60/42/12/177604212.db2.gz OHZHDJPPLZZDIJ-AWEZNQCLSA-N 1 0 265.401 2.221 10 0 CEAERO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CCCO[C@@H]2C)C1 ZINC000251261659 287344539 /nfs/dbraw/zinc/34/45/39/287344539.db2.gz YZLZZQXBAOGPHN-KFWWJZLASA-N 1 0 296.455 2.428 10 0 CEAERO COCC[C@@H](CO)[NH2+]C1CCC2(CCCC2)CC1 ZINC000305943054 292629130 /nfs/dbraw/zinc/62/91/30/292629130.db2.gz RSVZMDZVIWJWIL-AWEZNQCLSA-N 1 0 255.402 2.476 10 0 CEAERO COc1ccc(OC)c([C@H](C)NC(=O)C[C@@H]([NH3+])C(C)C)c1 ZINC000136348662 419442879 /nfs/dbraw/zinc/44/28/79/419442879.db2.gz BXRDQSLCFCERLI-SMDDNHRTSA-N 1 0 294.395 2.254 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccccc1-n1ccnc1 ZINC000136323502 419445281 /nfs/dbraw/zinc/44/52/81/419445281.db2.gz WYZNKOGFGFBLTR-LBPRGKRZSA-N 1 0 272.352 2.184 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)NCCCOC1CCCCC1 ZINC000136429628 419447962 /nfs/dbraw/zinc/44/79/62/419447962.db2.gz WHYKBKGNJMYRMX-CQSZACIVSA-N 1 0 270.417 2.215 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000136424884 419448476 /nfs/dbraw/zinc/44/84/76/419448476.db2.gz BNHHKEKCGIREOY-CQSZACIVSA-N 1 0 289.379 2.347 10 0 CEAERO Cc1ccccc1N1CCN(c2ncccc2C[NH3+])CC1 ZINC000665887181 419469617 /nfs/dbraw/zinc/46/96/17/419469617.db2.gz PQVOHFAKTNVAJG-UHFFFAOYSA-N 1 0 282.391 2.175 10 0 CEAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000667851204 419827833 /nfs/dbraw/zinc/82/78/33/419827833.db2.gz HEMPTVJFNJMDDW-ILXRZTDVSA-N 1 0 254.418 2.120 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000188662174 262335711 /nfs/dbraw/zinc/33/57/11/262335711.db2.gz FDKRHKCIIYAFKM-KBPBESRZSA-N 1 0 297.443 2.070 10 0 CEAERO c1ccc2c(C[NH2+]CCCN3CCC3)ccnc2c1 ZINC000519768139 265600975 /nfs/dbraw/zinc/60/09/75/265600975.db2.gz HCRSIPVMOHVWTP-UHFFFAOYSA-N 1 0 255.365 2.420 10 0 CEAERO Cc1cc2cc(NC(=O)[C@H]3C[C@H](F)C[NH2+]3)ccc2[nH]1 ZINC000188316117 270256791 /nfs/dbraw/zinc/25/67/91/270256791.db2.gz AFTCPQFWCXJNBN-GXFFZTMASA-N 1 0 261.300 2.115 10 0 CEAERO CSCCC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000192932974 270282050 /nfs/dbraw/zinc/28/20/50/270282050.db2.gz SABNIWJBDLZBOG-ZDUSSCGKSA-N 1 0 266.410 2.159 10 0 CEAERO CCC(CC)NC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000193015690 270282500 /nfs/dbraw/zinc/28/25/00/270282500.db2.gz ZGHZHCQHSHTQSX-ZDUSSCGKSA-N 1 0 257.422 2.451 10 0 CEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(Cl)cn1C ZINC000193267203 270283715 /nfs/dbraw/zinc/28/37/15/270283715.db2.gz HEVCAXVVFSAACX-LBPRGKRZSA-N 1 0 285.819 2.385 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)Cc1cscn1 ZINC000194272277 270295326 /nfs/dbraw/zinc/29/53/26/270295326.db2.gz AAPMUCWOTWUSEZ-GFCCVEGCSA-N 1 0 298.456 2.261 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cccc(COC)c2)C1 ZINC000194335722 270296749 /nfs/dbraw/zinc/29/67/49/270296749.db2.gz QREUSBSJTFGCDS-HNNXBMFYSA-N 1 0 291.395 2.439 10 0 CEAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCC(=O)N[C@@H]2C)s1 ZINC000393033507 270341213 /nfs/dbraw/zinc/34/12/13/270341213.db2.gz WTAGIDDYULUFBG-VWYCJHECSA-N 1 0 252.383 2.374 10 0 CEAERO O[C@@H]1CC[C@@H]2C[N@H+](C[C@H]3Cc4ccccc43)C[C@@H]2C1 ZINC000398771577 270363307 /nfs/dbraw/zinc/36/33/07/270363307.db2.gz HDMATWXUBYZFNK-QKPAOTATSA-N 1 0 257.377 2.419 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1cnc2ccccc2n1 ZINC000113248390 274374683 /nfs/dbraw/zinc/37/46/83/274374683.db2.gz GDVLYYDIOKWQTB-CHWSQXEVSA-N 1 0 268.364 2.303 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)Cc1c(Cl)cccc1Cl ZINC000335499395 274642978 /nfs/dbraw/zinc/64/29/78/274642978.db2.gz DDHUAIBGBFHQIZ-QPUJVOFHSA-N 1 0 287.190 2.484 10 0 CEAERO C[C@]1([NH3+])CCCC[C@@H]1C(=O)N[C@H]1COc2ccccc21 ZINC000263294157 274652378 /nfs/dbraw/zinc/65/23/78/274652378.db2.gz WAXPVOOHPUKPQP-WWGRRREGSA-N 1 0 274.364 2.144 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]2CN(c3ccc(Br)cn3)C[C@H]21 ZINC000228551149 274958250 /nfs/dbraw/zinc/95/82/50/274958250.db2.gz JTLDVDOKBBLDCL-MVWJERBFSA-N 1 0 296.212 2.408 10 0 CEAERO c1cc2c(N3CCC[NH2+]CC3)nc3ccccc3n2c1 ZINC000049453687 275064719 /nfs/dbraw/zinc/06/47/19/275064719.db2.gz LYAOJACCBIIHRY-UHFFFAOYSA-N 1 0 266.348 2.287 10 0 CEAERO Brc1ccc2c(c1)CC[C@@H]2[NH2+]C1COC1 ZINC000087194865 275370586 /nfs/dbraw/zinc/37/05/86/275370586.db2.gz XSJCVAOGQQZPHA-LBPRGKRZSA-N 1 0 268.154 2.425 10 0 CEAERO CC1(C)CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000336011354 275822256 /nfs/dbraw/zinc/82/22/56/275822256.db2.gz SYQVOPWHQRWRHD-UHFFFAOYSA-N 1 0 250.386 2.263 10 0 CEAERO CCC[C@H](C(=O)NCCC[C@@H]1CCCCO1)[NH+](C)C ZINC000183431950 276037990 /nfs/dbraw/zinc/03/79/90/276037990.db2.gz KENDZEVVFSGHOU-UONOGXRCSA-N 1 0 270.417 2.182 10 0 CEAERO CCC[C@H](C(=O)N[C@H](C)C[C@H](O)c1ccccc1)[NH+](C)C ZINC000154185873 276039143 /nfs/dbraw/zinc/03/91/43/276039143.db2.gz WNGLRJGUGJYXJD-BMFZPTHFSA-N 1 0 292.423 2.345 10 0 CEAERO CCC[C@H]([NH3+])C(=O)Nc1ccccc1CN(CC)C(C)=O ZINC000236940812 276043550 /nfs/dbraw/zinc/04/35/50/276043550.db2.gz CEWFPTARQNQZRC-AWEZNQCLSA-N 1 0 291.395 2.121 10 0 CEAERO CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@H]1CCOc2ccccc21 ZINC000232827451 276106434 /nfs/dbraw/zinc/10/64/34/276106434.db2.gz AAKVQDQTWUXJCF-DZGCQCFKSA-N 1 0 288.391 2.405 10 0 CEAERO CCC[C@@H]1C[C@H](C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CCO1 ZINC000183784759 276277889 /nfs/dbraw/zinc/27/78/89/276277889.db2.gz ZDYTWXXAVWBSPV-XUWVNRHRSA-N 1 0 294.439 2.277 10 0 CEAERO CCc1ccc(CC(=O)N2CCCC[C@H]2C[NH3+])cc1 ZINC000237154554 276688238 /nfs/dbraw/zinc/68/82/38/276688238.db2.gz JITTVFXBQNAYHC-HNNXBMFYSA-N 1 0 260.381 2.131 10 0 CEAERO CN(C(=O)c1ccc(OCc2ccccc2)cc1)C1C[NH2+]C1 ZINC000261551339 276746699 /nfs/dbraw/zinc/74/66/99/276746699.db2.gz QJLCNRFPZYTWHG-UHFFFAOYSA-N 1 0 296.370 2.309 10 0 CEAERO CN1CCO[C@@H](C[NH2+][C@H]2CCSc3ccc(F)cc32)C1 ZINC000246378734 277120077 /nfs/dbraw/zinc/12/00/77/277120077.db2.gz JWHLPNNQOMCATB-JSGCOSHPSA-N 1 0 296.411 2.283 10 0 CEAERO CC(C)(C)[C@H](O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000311920940 277253611 /nfs/dbraw/zinc/25/36/11/277253611.db2.gz GQKFQJSTALBTPU-LJISPDSOSA-N 1 0 269.429 2.409 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000092133677 277281120 /nfs/dbraw/zinc/28/11/20/277281120.db2.gz GDSZPQXZRCZAPN-LPEHRKFASA-N 1 0 266.307 2.079 10 0 CEAERO CO[C@H](C)c1nsc(N[C@H](C[NH3+])C2CCCC2)n1 ZINC000261589604 277326688 /nfs/dbraw/zinc/32/66/88/277326688.db2.gz WKTRNUVXZHNLCY-PSASIEDQSA-N 1 0 270.402 2.175 10 0 CEAERO CC(C)C[C@H]([NH3+])C(=O)N[C@H]1CCO[C@H]1c1ccccc1 ZINC000236729568 277488732 /nfs/dbraw/zinc/48/87/32/277488732.db2.gz SJMLMXLDJWADCC-KKUMJFAQSA-N 1 0 276.380 2.006 10 0 CEAERO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2CN(C)CCO2)cc1 ZINC000180488049 277933062 /nfs/dbraw/zinc/93/30/62/277933062.db2.gz FVTZULWVANGHNU-CKEIUWERSA-N 1 0 292.423 2.107 10 0 CEAERO COc1cccc2c1CC[C@@H]([NH2+][C@H]1CCCn3ncnc31)C2 ZINC000192444368 278032686 /nfs/dbraw/zinc/03/26/86/278032686.db2.gz RLINFABYJSENNL-HIFRSBDPSA-N 1 0 298.390 2.269 10 0 CEAERO C[C@@H](CNC(=O)N[C@H]1C[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000246146232 278278098 /nfs/dbraw/zinc/27/80/98/278278098.db2.gz SAIWLQSBIWRISD-WWGRRREGSA-N 1 0 287.407 2.141 10 0 CEAERO C[C@@H]([NH3+])[C@@H]1CCN(c2ncccc2C(F)(F)F)C1 ZINC000127309796 278314387 /nfs/dbraw/zinc/31/43/87/278314387.db2.gz PTOWELZZJZMSJS-RKDXNWHRSA-N 1 0 259.275 2.274 10 0 CEAERO C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccccc1-n1cccn1 ZINC000177244419 278349732 /nfs/dbraw/zinc/34/97/32/278349732.db2.gz ZSXXBXCDBWVJKG-ZWNOBZJWSA-N 1 0 299.296 2.446 10 0 CEAERO CC(C)(C)OC(=O)N([C@@H]1CCC[NH2+]C1)C(F)(F)F ZINC000095082898 278378006 /nfs/dbraw/zinc/37/80/06/278378006.db2.gz KHQSDIDXGYBXFG-MRVPVSSYSA-N 1 0 268.279 2.495 10 0 CEAERO CC1(C)[C@H]([NH2+][C@@H]2CCCC[C@@H]2O)[C@H]2CCCO[C@@H]21 ZINC000085676196 278446025 /nfs/dbraw/zinc/44/60/25/278446025.db2.gz LQMXSGAZXKWTAJ-RGDJUOJXSA-N 1 0 253.386 2.083 10 0 CEAERO CC(C)(C)c1nsc(N2CCCC[C@@H]2C[NH3+])n1 ZINC000087642475 278577251 /nfs/dbraw/zinc/57/72/51/278577251.db2.gz WURRZHWCFSBZQG-SECBINFHSA-N 1 0 254.403 2.153 10 0 CEAERO C[C@@H]1CN(C(=O)N2CCc3ccc(F)cc32)C[C@@]1(C)C[NH3+] ZINC000334941617 278648939 /nfs/dbraw/zinc/64/89/39/278648939.db2.gz WAVAFCNNHWRSOD-BDJLRTHQSA-N 1 0 291.370 2.225 10 0 CEAERO C[C@@H]1C[C@@H]([NH+]2CCC(c3ccnn3C)CC2)CCO1 ZINC000335377673 278898239 /nfs/dbraw/zinc/89/82/39/278898239.db2.gz JMUDDOLZUFUAMN-OCCSQVGLSA-N 1 0 263.385 2.167 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCc2ccsc2C1 ZINC000335553442 279033908 /nfs/dbraw/zinc/03/39/08/279033908.db2.gz WJBSHLYIQIXMRA-CMPLNLGQSA-N 1 0 264.394 2.021 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+][C@@H]2C[C@H](C)CC[C@H]2C)C1 ZINC000263524260 279059624 /nfs/dbraw/zinc/05/96/24/279059624.db2.gz SNRSGZRAJBCBOL-WMUDQEJXSA-N 1 0 282.428 2.338 10 0 CEAERO CC(C)C[C@H](C)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000248905122 279086594 /nfs/dbraw/zinc/08/65/94/279086594.db2.gz UTWKAVUZQQZQBK-MJBXVCDLSA-N 1 0 252.402 2.364 10 0 CEAERO C[C@H](C(=O)N[C@@H]1CCCc2ccccc21)C1C[NH2+]C1 ZINC000163902189 279229103 /nfs/dbraw/zinc/22/91/03/279229103.db2.gz LTMIZHODQHWEOA-XHDPSFHLSA-N 1 0 258.365 2.036 10 0 CEAERO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000245857906 279282966 /nfs/dbraw/zinc/28/29/66/279282966.db2.gz NYOAIXMZKAQFFL-IIAWOOMASA-N 1 0 290.407 2.191 10 0 CEAERO CCN1CCC[C@H]([NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000336810700 279323451 /nfs/dbraw/zinc/32/34/51/279323451.db2.gz IYZJAMURRGKJBI-SDDRHHMPSA-N 1 0 280.334 2.170 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)N(CC(C)C)C1CC1 ZINC000177710251 279327109 /nfs/dbraw/zinc/32/71/09/279327109.db2.gz IKLDVDVRERSUQI-INIZCTEOSA-N 1 0 295.471 2.050 10 0 CEAERO [NH3+]CCN(Cc1ccccc1)C(=O)c1ccccc1 ZINC000020183605 279627680 /nfs/dbraw/zinc/62/76/80/279627680.db2.gz VUJBOSHBKXTWFI-UHFFFAOYSA-N 1 0 254.333 2.288 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)/C=C/c1cccnc1 ZINC000128931490 279899209 /nfs/dbraw/zinc/89/92/09/279899209.db2.gz QLEHRLSDHWEYDV-MVGZEHJDSA-N 1 0 275.396 2.187 10 0 CEAERO CCS(=O)(=O)c1ccccc1N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000038050914 280034982 /nfs/dbraw/zinc/03/49/82/280034982.db2.gz 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WAXADBWXUDEFRO-UHFFFAOYSA-N 1 0 263.385 2.471 10 0 CEAERO CCC[NH2+]C[C@H]1CC[C@@H](COC[C@@H]2CCCCO2)O1 ZINC000052605230 519937664 /nfs/dbraw/zinc/93/76/64/519937664.db2.gz TXGXKHVUSVLIPI-ILXRZTDVSA-N 1 0 271.401 2.119 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1cc(F)cc(F)c1F ZINC000061268452 519938741 /nfs/dbraw/zinc/93/87/41/519938741.db2.gz LWMRTWUDKWGEAG-SSDOTTSWSA-N 1 0 260.259 2.288 10 0 CEAERO CCC[NH2+]Cc1cn(CCO[C@@H](C)CC(C)C)nn1 ZINC000052603545 519963542 /nfs/dbraw/zinc/96/35/42/519963542.db2.gz GPGJWOCFIMWLSV-ZDUSSCGKSA-N 1 0 268.405 2.229 10 0 CEAERO CCC[NH2+]Cc1sc(N2CCN(CC)CC2)nc1CC ZINC000054994834 519975663 /nfs/dbraw/zinc/97/56/63/519975663.db2.gz JOVQMXLGIQLZNX-UHFFFAOYSA-N 1 0 296.484 2.347 10 0 CEAERO CC[NH2+]C[C@H]1CC[C@H](CN(C)c2cccc(F)c2)O1 ZINC000052544557 519978825 /nfs/dbraw/zinc/97/88/25/519978825.db2.gz MUIUWICLHHTDCY-HUUCEWRRSA-N 1 0 266.360 2.419 10 0 CEAERO CC[NH2+]Cc1cc(CN2CCSCC2)c(C)o1 ZINC000052443301 519989568 /nfs/dbraw/zinc/98/95/68/519989568.db2.gz BODRUZVMRMMGKC-UHFFFAOYSA-N 1 0 254.399 2.246 10 0 CEAERO CCCN[C@@H](CC[N@H+](C)[C@@H](C)C(C)(C)C)C(=O)OC ZINC000062456757 519996288 /nfs/dbraw/zinc/99/62/88/519996288.db2.gz ONKONTOUQTYGLO-STQMWFEESA-N 1 0 272.433 2.284 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccc(Cl)cc1)CS(C)(=O)=O ZINC000052789169 520012722 /nfs/dbraw/zinc/01/27/22/520012722.db2.gz XJNUZNPOEXEDAB-ZDUSSCGKSA-N 1 0 289.828 2.295 10 0 CEAERO CC[NH2+]Cc1sc(N2CCN(C)CC2)nc1C(C)(C)C ZINC000054995370 520032767 /nfs/dbraw/zinc/03/27/67/520032767.db2.gz LJSUMKXIQDBWSZ-UHFFFAOYSA-N 1 0 296.484 2.302 10 0 CEAERO CCC[NH2+][C@H](CCN(CC)c1ccccc1C)C(N)=O ZINC000062438003 520070895 /nfs/dbraw/zinc/07/08/95/520070895.db2.gz LDHKAMRZXJQXJW-CQSZACIVSA-N 1 0 277.412 2.065 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(F)cc1OCc1ncon1 ZINC000062746814 520076496 /nfs/dbraw/zinc/07/64/96/520076496.db2.gz UQJCCFKQFCCEAX-VIFPVBQESA-N 1 0 265.288 2.458 10 0 CEAERO CC[NH2+][C@@H](C)c1cnn([C@H]2CCCC[C@@H]2O)c1C ZINC000054600083 520079837 /nfs/dbraw/zinc/07/98/37/520079837.db2.gz LISHDHPLCBFZLD-BPNCWPANSA-N 1 0 251.374 2.338 10 0 CEAERO CCC[NH2+][C@](C)(C[C@H](C)Oc1ccccc1C)C(N)=O ZINC000068656388 520113481 /nfs/dbraw/zinc/11/34/81/520113481.db2.gz WOOHOQOWGTYLJB-XJKSGUPXSA-N 1 0 278.396 2.396 10 0 CEAERO CCCN[C@](C)(C[C@H](C)[NH+]1CCCCCCC1)C(N)=O ZINC000068617311 520114017 /nfs/dbraw/zinc/11/40/17/520114017.db2.gz WZSOGJGWQCKFLR-GOEBONIOSA-N 1 0 283.460 2.275 10 0 CEAERO CC[NH2+][C@@H]1CCN(Cc2csc(C)n2)[C@H](C)C1 ZINC000049714093 520118563 /nfs/dbraw/zinc/11/85/63/520118563.db2.gz WLGTVODFBSSRSW-ZYHUDNBSSA-N 1 0 253.415 2.414 10 0 CEAERO CC[NH2+][C@H](C)c1ccccc1N(CCOC)CCOC ZINC000048895497 520179361 /nfs/dbraw/zinc/17/93/61/520179361.db2.gz JFTHFTLKKMMRLG-CQSZACIVSA-N 1 0 280.412 2.456 10 0 CEAERO CC[NH2+][C@H](C)c1cnn([C@H]2CCCC[C@@H]2O)c1C ZINC000054600084 520181665 /nfs/dbraw/zinc/18/16/65/520181665.db2.gz LISHDHPLCBFZLD-SWHYSGLUSA-N 1 0 251.374 2.338 10 0 CEAERO CCN[C@](C)(C[C@@H](C)[NH+](CC1CC1)CC1CC1)C(=O)OC ZINC000068647986 520235495 /nfs/dbraw/zinc/23/54/95/520235495.db2.gz OSMGWUUMPPUGOG-CXAGYDPISA-N 1 0 296.455 2.428 10 0 CEAERO CCO[C@@H](C[NH3+])CCSc1nnc(C2CC2)n1C1CC1 ZINC000062741912 520309346 /nfs/dbraw/zinc/30/93/46/520309346.db2.gz FQJRBCUIRDUYAM-GFCCVEGCSA-N 1 0 296.440 2.336 10 0 CEAERO CCCCN(CCO)c1ccc(Cl)cc1C(N)=[NH2+] ZINC000052860131 520527439 /nfs/dbraw/zinc/52/74/39/520527439.db2.gz YMRGBIPHYIHMSH-UHFFFAOYSA-N 1 0 269.776 2.223 10 0 CEAERO CCOC(=O)C[C@]1([NH+]2CCOCC2)CC[C@@H](C)C[C@@H]1C ZINC000068633907 520901961 /nfs/dbraw/zinc/90/19/61/520901961.db2.gz HNVYSZJPBMCNBC-IJEWVQPXSA-N 1 0 283.412 2.467 10 0 CEAERO CCN(Cc1cc(C)ccc1OC)C[C@@H](C)C(N)=[NH2+] ZINC000050704450 521288968 /nfs/dbraw/zinc/28/89/68/521288968.db2.gz RYTLHPFKMRCFNV-GFCCVEGCSA-N 1 0 263.385 2.398 10 0 CEAERO CCC(CC)CN(CC)S(=O)(=O)C[C@H]1CCCC[NH2+]1 ZINC000049631329 521522048 /nfs/dbraw/zinc/52/20/48/521522048.db2.gz ZIEBGPNNSHFUOI-CQSZACIVSA-N 1 0 290.473 2.216 10 0 CEAERO 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252.383 2.411 10 0 CEAERO CC[NH2+]CCC(=O)N1CCSc2ccccc21 ZINC000061298834 519916288 /nfs/dbraw/zinc/91/62/88/519916288.db2.gz VPUDCRIMTIQQIF-UHFFFAOYSA-N 1 0 250.367 2.125 10 0 CEAERO CC[NH2+]CCC(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000061292190 519917114 /nfs/dbraw/zinc/91/71/14/519917114.db2.gz WNZIJRWZOLGWDU-INIZCTEOSA-N 1 0 272.348 2.485 10 0 CEAERO CC[NH2+]CCC(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000061292998 519917742 /nfs/dbraw/zinc/91/77/42/519917742.db2.gz FUKLWVOTDNCYTJ-UHFFFAOYSA-N 1 0 258.325 2.015 10 0 CEAERO CC[NH2+]CCC(=O)Nc1ccc2oc(CC)nc2c1 ZINC000061293868 519918051 /nfs/dbraw/zinc/91/80/51/519918051.db2.gz NLAXDKOHEYQBRG-UHFFFAOYSA-N 1 0 261.325 2.328 10 0 CEAERO CC[NH2+]CCCCOc1c(OC)cccc1OC ZINC000052650072 519919255 /nfs/dbraw/zinc/91/92/55/519919255.db2.gz NNTILVFVUDIVQG-UHFFFAOYSA-N 1 0 253.342 2.472 10 0 CEAERO CCC[NH2+]C[C@@H](C)c1c(C)nc(COC)nc1C ZINC000054854938 519920958 /nfs/dbraw/zinc/92/09/58/519920958.db2.gz MUJBNLNJXDSEPX-SNVBAGLBSA-N 1 0 251.374 2.343 10 0 CEAERO CCC[NH2+]C[C@@H]1CCCCN1c1nccn(C(C)C)c1=O ZINC000061775213 519922474 /nfs/dbraw/zinc/92/24/74/519922474.db2.gz PGRVXQGBRLCSAQ-AWEZNQCLSA-N 1 0 292.427 2.183 10 0 CEAERO CC[NH2+]CCc1nnc(-c2nccc3ccccc32)o1 ZINC000050619865 519930037 /nfs/dbraw/zinc/93/00/37/519930037.db2.gz JMQZIIFISLJUQT-UHFFFAOYSA-N 1 0 268.320 2.437 10 0 CEAERO CCC[NH2+]C[C@H](C)N1CCN(c2ccccc2F)CC1 ZINC000052374648 519931048 /nfs/dbraw/zinc/93/10/48/519931048.db2.gz ZFCMEXVJNFPBTL-AWEZNQCLSA-N 1 0 279.403 2.336 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N(CC(C)C)CC(F)(F)F ZINC000061236655 519931661 /nfs/dbraw/zinc/93/16/61/519931661.db2.gz VJSRZIXZKNBRHC-SNVBAGLBSA-N 1 0 268.323 2.279 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N1CCC[C@@H]1C1CCCC1 ZINC000061268039 519932849 /nfs/dbraw/zinc/93/28/49/519932849.db2.gz JYPFLOFUHMAUMW-TZMCWYRMSA-N 1 0 252.402 2.413 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N(Cc1ccccn1)C(C)C ZINC000061236960 519933166 /nfs/dbraw/zinc/93/31/66/519933166.db2.gz DWJLHXJTLGGMNN-CYBMUJFWSA-N 1 0 263.385 2.064 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000061230290 519933995 /nfs/dbraw/zinc/93/39/95/519933995.db2.gz JRXXNSMZHMWPHF-HZSPNIEDSA-N 1 0 252.402 2.271 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N[C@H](C)c1ccc(OC)c(OC)c1 ZINC000061266879 519937998 /nfs/dbraw/zinc/93/79/98/519937998.db2.gz NTCHPBAZQZYINU-VXGBXAGGSA-N 1 0 294.395 2.127 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccc(OC)c(OCC)c1 ZINC000061233701 519940579 /nfs/dbraw/zinc/94/05/79/519940579.db2.gz FIXMJVPXVSOCBH-LLVKDONJSA-N 1 0 280.368 2.278 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccc2ncccc2c1 ZINC000061268393 519941841 /nfs/dbraw/zinc/94/18/41/519941841.db2.gz UPMSODDPSWCSHR-LLVKDONJSA-N 1 0 257.337 2.419 10 0 CEAERO CC[NH2+]C[C@@H](C)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000052443428 519943077 /nfs/dbraw/zinc/94/30/77/519943077.db2.gz HRIFODPQHVJUBG-CYBMUJFWSA-N 1 0 281.831 2.460 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccccc1-n1cccn1 ZINC000061232213 519943490 /nfs/dbraw/zinc/94/34/90/519943490.db2.gz PZOLTIPYDZMMHT-GFCCVEGCSA-N 1 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CCCOc1ccc(C[C@@H](C[NH3+])C(=O)NC(C)C)cc1 ZINC000052919418 520376837 /nfs/dbraw/zinc/37/68/37/520376837.db2.gz DERQNJNUNOUIPA-AWEZNQCLSA-N 1 0 278.396 2.117 10 0 CEAERO CCCC[N@H+](C)C[C@@](NCC)(C(=O)OCC)C1CC1 ZINC000069088938 520414089 /nfs/dbraw/zinc/41/40/89/520414089.db2.gz XXCAAEJOKKWFTB-HNNXBMFYSA-N 1 0 270.417 2.040 10 0 CEAERO CCCOc1ccc([C@@H]([NH2+][C@@H](C)CC)C(N)=O)cc1 ZINC000052920275 520417183 /nfs/dbraw/zinc/41/71/83/520417183.db2.gz NOYCCVZREJRQIM-SMDDNHRTSA-N 1 0 264.369 2.390 10 0 CEAERO CCN(CC(F)(F)F)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052182250 520420510 /nfs/dbraw/zinc/42/05/10/520420510.db2.gz JTHZJFNFGHHGLN-UHFFFAOYSA-N 1 0 294.361 2.419 10 0 CEAERO CCCOc1ccc([C@H](C[NH3+])N2CCOC[C@@H]2C)cc1 ZINC000052920001 520428353 /nfs/dbraw/zinc/42/83/53/520428353.db2.gz GFTJSXAEQLIVTH-BBRMVZONSA-N 1 0 278.396 2.196 10 0 CEAERO CCCOc1cccc([C@@H]([NH2+]CC(C)C)C(N)=O)c1 ZINC000052921449 520464157 /nfs/dbraw/zinc/46/41/57/520464157.db2.gz IPWPWIWIAZOPAY-CQSZACIVSA-N 1 0 264.369 2.247 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DVFDLLPMRIBDNL-HLPPOEQASA-N 1 0 284.444 2.284 10 0 CEAERO CCOC(=O)[C@@](N)(C[N@H+](C)C1CCCCCC1)C1CC1 ZINC000069100527 521170792 /nfs/dbraw/zinc/17/07/92/521170792.db2.gz WMVRMCWIRVKKSQ-MRXNPFEDSA-N 1 0 282.428 2.312 10 0 CEAERO CCOC(=O)[C@@]1(N2CCC[NH2+]CC2)CC[C@H](C)C[C@@H]1C ZINC000068631386 521183974 /nfs/dbraw/zinc/18/39/74/521183974.db2.gz XUBLNEDIYCQAIF-OFQRWUPVSA-N 1 0 282.428 2.040 10 0 CEAERO CCC[C@H]1CC[C@H](O)[C@H]([N@@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000061652570 521212215 /nfs/dbraw/zinc/21/22/15/521212215.db2.gz QYVNDUGZSAPXJK-JJXSEGSLSA-N 1 0 268.445 2.342 10 0 CEAERO CCC[C@H]1CN(C[C@@H]2CCCCO2)[C@H](C2CC2)C[NH2+]1 ZINC000068701082 521220131 /nfs/dbraw/zinc/22/01/31/521220131.db2.gz WPILYVURSUUFNM-JYJNAYRXSA-N 1 0 266.429 2.408 10 0 CEAERO CCC[C@H]1CN(CCOCCOC)C2(CCCCC2)C[NH2+]1 ZINC000068702404 521221558 /nfs/dbraw/zinc/22/15/58/521221558.db2.gz PIQJXYZOGZAIHU-INIZCTEOSA-N 1 0 298.471 2.426 10 0 CEAERO CCN(C[C@H]1CCCO1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000069266189 521268483 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/nfs/dbraw/zinc/49/71/29/521497129.db2.gz KRNFSRMLLZEMFI-CQSZACIVSA-N 1 0 260.316 2.142 10 0 CEAERO CCN(c1nc2ccccn2c1C[NH2+]CCOC)C1CC1 ZINC000062735098 521505346 /nfs/dbraw/zinc/50/53/46/521505346.db2.gz YYZTWCPSCDGOGO-UHFFFAOYSA-N 1 0 288.395 2.059 10 0 CEAERO CCCc1nc(N2CCO[C@H]3CCC[C@@H]32)sc1C[NH3+] ZINC000054999048 521534613 /nfs/dbraw/zinc/53/46/13/521534613.db2.gz GCWYWAZQMYSLAE-RYUDHWBXSA-N 1 0 281.425 2.312 10 0 CEAERO CCCc1[nH+]c2cc(N)ccc2n1Cc1nc(C)no1 ZINC000052855003 521541733 /nfs/dbraw/zinc/54/17/33/521541733.db2.gz MTJXEIHGEDJMBC-UHFFFAOYSA-N 1 0 271.324 2.311 10 0 CEAERO CCCc1[nH+]c2cc(N)ccc2n1[C@H](C)C(=O)N(C)C ZINC000052855423 521541989 /nfs/dbraw/zinc/54/19/89/521541989.db2.gz LJOQSSFLSHQGEW-SNVBAGLBSA-N 1 0 274.368 2.220 10 0 CEAERO CCC(CC)N(CCO)C(=O)[C@H]1CCC[C@H](CC[NH3+])C1 ZINC000055162925 521551492 /nfs/dbraw/zinc/55/14/92/521551492.db2.gz WZBVJQDXYQNJNZ-KGLIPLIRSA-N 1 0 284.444 2.151 10 0 CEAERO CCC(CC)N(CCOC)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000055088574 521557571 /nfs/dbraw/zinc/55/75/71/521557571.db2.gz CUGIKHGLZVBJCU-ZIAGYGMSSA-N 1 0 270.417 2.168 10 0 CEAERO CCC(CC)[N@H+](CCOC)Cc1ccnc(C(N)=S)c1 ZINC000068752565 521558710 /nfs/dbraw/zinc/55/87/10/521558710.db2.gz GJEJFZKXCUMWIR-UHFFFAOYSA-N 1 0 295.452 2.353 10 0 CEAERO CCOC(=O)c1c[nH+]c2cc(OC)cc(OC)c2c1N ZINC000050843239 521576272 /nfs/dbraw/zinc/57/62/72/521576272.db2.gz XFSQXHFNHPVGAW-UHFFFAOYSA-N 1 0 276.292 2.011 10 0 CEAERO CCCn1c(S[C@H](C[NH3+])c2cccc(C)c2)n[nH]c1=O ZINC000061594788 521635506 /nfs/dbraw/zinc/63/55/06/521635506.db2.gz HHYZGBZZNJPSFC-GFCCVEGCSA-N 1 0 292.408 2.082 10 0 CEAERO CCC[NH+](CCC)CC[C@@H](NCC)C(=O)OCC ZINC000062442045 521647113 /nfs/dbraw/zinc/64/71/13/521647113.db2.gz QRZADFKKTJBWJU-CYBMUJFWSA-N 1 0 258.406 2.040 10 0 CEAERO CCCN(CC[NH+](C)C)c1cc(Cl)nc(C)n1 ZINC000052837380 521658790 /nfs/dbraw/zinc/65/87/90/521658790.db2.gz DTCOFDFMBSSICL-UHFFFAOYSA-N 1 0 256.781 2.216 10 0 CEAERO CCCN(CC[NH+](C)C)c1nc(CC)c(C=O)s1 ZINC000054967718 521658995 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ZINC000052197940 521970570 /nfs/dbraw/zinc/97/05/70/521970570.db2.gz NVVGYUOUKXGCBX-UHFFFAOYSA-N 1 0 278.396 2.260 10 0 CEAERO C[NH2+]CCc1nnc(-c2ccccc2Br)o1 ZINC000050619656 522023311 /nfs/dbraw/zinc/02/33/11/522023311.db2.gz GEGQHRYUPMVXND-UHFFFAOYSA-N 1 0 282.141 2.261 10 0 CEAERO COC(=O)c1ccc(C[NH2+]C[C@@H](C)CSC)o1 ZINC000069439402 522032159 /nfs/dbraw/zinc/03/21/59/522032159.db2.gz FCRUOFMZAWMMMX-SECBINFHSA-N 1 0 257.355 2.155 10 0 CEAERO C[NH2+]C[C@@H](OC1CCOCC1)c1ccc(F)cc1 ZINC000050485986 522036683 /nfs/dbraw/zinc/03/66/83/522036683.db2.gz DSOGWMWCYBYDNA-CQSZACIVSA-N 1 0 253.317 2.282 10 0 CEAERO C[NH2+]C[C@H](C)CN1CCN(c2cccc(C)c2C)CC1 ZINC000052376259 522070999 /nfs/dbraw/zinc/07/09/99/522070999.db2.gz AYRPUYVDTKMRTG-AWEZNQCLSA-N 1 0 275.440 2.281 10 0 CEAERO C[NH2+]C[C@H](C)c1c(C)nc(Cc2ccncc2)nc1C ZINC000054854614 522073234 /nfs/dbraw/zinc/07/32/34/522073234.db2.gz RBTJQMZZZPQJAA-NSHDSACASA-N 1 0 270.380 2.402 10 0 CEAERO C[NH2+]C[C@H](Cc1cc(C)ccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000052950086 522074982 /nfs/dbraw/zinc/07/49/82/522074982.db2.gz SHFWKYOIWKGPRX-ZBFHGGJFSA-N 1 0 295.448 2.116 10 0 CEAERO C[NH2+]Cc1c2ccccc2oc1CN1CCO[C@H](C)C1 ZINC000052382622 522100460 /nfs/dbraw/zinc/10/04/60/522100460.db2.gz REJQSMFEVADAKX-GFCCVEGCSA-N 1 0 274.364 2.373 10 0 CEAERO C[NH+](C)[C@H]1CCN(c2cc(Br)ccc2CO)C1 ZINC000062966377 522105673 /nfs/dbraw/zinc/10/56/73/522105673.db2.gz VDVKHRGEXDOCME-LBPRGKRZSA-N 1 0 299.212 2.082 10 0 CEAERO CC[C@H](CC(=O)[O-])[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000062753252 522111265 /nfs/dbraw/zinc/11/12/65/522111265.db2.gz IXWZRTIVFNJVNB-CYBMUJFWSA-N 1 0 268.401 2.190 10 0 CEAERO C[NH2+]Cc1ccc(-n2nnc(-c3ccccc3)n2)c(C)c1 ZINC000050562394 522114596 /nfs/dbraw/zinc/11/45/96/522114596.db2.gz YHNUFARSTKLASI-UHFFFAOYSA-N 1 0 279.347 2.357 10 0 CEAERO CC[C@H](CC1CC1)NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000070104045 522119824 /nfs/dbraw/zinc/11/98/24/522119824.db2.gz KQJKNWUAFAWKNY-HZPDHXFCSA-N 1 0 272.392 2.396 10 0 CEAERO C[NH2+]Cc1ccc(OCCC(=O)OC)c(Cl)c1 ZINC000069317357 522122154 /nfs/dbraw/zinc/12/21/54/522122154.db2.gz LNVBZNIFCBOWCD-UHFFFAOYSA-N 1 0 257.717 2.001 10 0 CEAERO CN(C)c1ccc(-c2nc([C@@H]3CCC[NH2+]C3)no2)cc1 ZINC000062256990 522125591 /nfs/dbraw/zinc/12/55/91/522125591.db2.gz CMHZQVOVGHHLGE-GFCCVEGCSA-N 1 0 272.352 2.270 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(Cc2ccc(C)c(N)c2)CC1 ZINC000055083491 522126906 /nfs/dbraw/zinc/12/69/06/522126906.db2.gz GRHWTDKUEUMFGW-CQSZACIVSA-N 1 0 261.413 2.493 10 0 CEAERO C[NH2+]Cc1cnn(Cc2ccccc2Br)c1 ZINC000054719156 522149355 /nfs/dbraw/zinc/14/93/55/522149355.db2.gz FIHIXHXLWOIQEM-UHFFFAOYSA-N 1 0 280.169 2.413 10 0 CEAERO CC[C@@H](C)[NH2+]CC[C@H](O)c1ccc2c(c1)OCCO2 ZINC000049857680 522227192 /nfs/dbraw/zinc/22/71/92/522227192.db2.gz YPESBPJMRSFQLH-YPMHNXCESA-N 1 0 265.353 2.269 10 0 CEAERO COc1cc(C)cc(OC)c1OCC[NH2+]C1CCOCC1 ZINC000062768172 522253017 /nfs/dbraw/zinc/25/30/17/522253017.db2.gz CIZDCVLMSZOFHN-UHFFFAOYSA-N 1 0 295.379 2.160 10 0 CEAERO CCc1nc(CN2CCC[C@H]2[C@@H]2CCC[NH2+]2)cs1 ZINC000051359727 522307951 /nfs/dbraw/zinc/30/79/51/522307951.db2.gz OACOVDJXCRVFFC-STQMWFEESA-N 1 0 265.426 2.422 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(F)cc1O[C@H]1CCC[C@@H]1O ZINC000062746344 522332018 /nfs/dbraw/zinc/33/20/18/522332018.db2.gz BTPZVXMOAITPIT-XDTLVQLUSA-N 1 0 253.317 2.398 10 0 CEAERO CC[C@@H](C)[C@@H]1C[NH2+][C@H](C(C)C)CN1Cc1cnn(C)c1 ZINC000068703218 522333688 /nfs/dbraw/zinc/33/36/88/522333688.db2.gz FGTPLWUVUJSYCV-KBMXLJTQSA-N 1 0 278.444 2.265 10 0 CEAERO C[NH2+][C@@H](C)c1cccc(NC(=O)N[C@H]2CCCC[C@@H]2O)c1 ZINC000052015632 522334020 /nfs/dbraw/zinc/33/40/20/522334020.db2.gz JCPVMSBJOWMJBZ-CQDKDKBSSA-N 1 0 291.395 2.392 10 0 CEAERO CC[C@H]([NH3+])Cc1noc([C@H]2Cc3ccccc3O2)n1 ZINC000054184587 522336979 /nfs/dbraw/zinc/33/69/79/522336979.db2.gz IXBKLIZXVUNDIH-CMPLNLGQSA-N 1 0 259.309 2.026 10 0 CEAERO C[NH2+][C@@H](C)c1nnc(-c2cc(OC)cc(OC)c2)o1 ZINC000050618256 522341027 /nfs/dbraw/zinc/34/10/27/522341027.db2.gz MRDNRDWTDSGMJH-QMMMGPOBSA-N 1 0 263.297 2.034 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1nccc(C)n1)c1cnn(C)c1 ZINC000051331288 522343373 /nfs/dbraw/zinc/34/33/73/522343373.db2.gz LMQNFXHCAJZRAB-NWDGAFQWSA-N 1 0 277.397 2.089 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccccc1Cl)N(C)C[C@@H](C)O ZINC000051817613 522343511 /nfs/dbraw/zinc/34/35/11/522343511.db2.gz UGUDSGUOGGXPIN-SWHYSGLUSA-N 1 0 270.804 2.431 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1CC)c1ccsc1 ZINC000061594214 522343600 /nfs/dbraw/zinc/34/36/00/522343600.db2.gz MOAKZRUDIAHVAG-VHSXEESVSA-N 1 0 298.437 2.224 10 0 CEAERO C[NH2+][C@@H](CN1CCN(C)C1=O)C12CC3CC(CC(C3)C1)C2 ZINC000052885701 522353886 /nfs/dbraw/zinc/35/38/86/522353886.db2.gz GTTFLFOGYQAUDU-RDVIWEACSA-N 1 0 291.439 2.158 10 0 CEAERO C[NH2+][C@@H](c1cc(C)sc1C)C(C)(C)S(C)(=O)=O ZINC000070128645 522365041 /nfs/dbraw/zinc/36/50/41/522365041.db2.gz KYOACVOSWJMAJQ-NSHDSACASA-N 1 0 275.439 2.449 10 0 CEAERO C[NH2+][C@@H]1CCCN(Cc2cc(Cl)cc3c2OCOC3)C1 ZINC000053203904 522386448 /nfs/dbraw/zinc/38/64/48/522386448.db2.gz RAULEYYBXSVIFQ-CQSZACIVSA-N 1 0 296.798 2.390 10 0 CEAERO C[NH2+][C@@H]1CCc2c1cccc2OCc1ncccn1 ZINC000062799126 522398619 /nfs/dbraw/zinc/39/86/19/522398619.db2.gz DAFKTTXBVIDBQL-CYBMUJFWSA-N 1 0 255.321 2.262 10 0 CEAERO C[NH2+][C@@H]1COc2cc(OCc3cccnc3)ccc21 ZINC000062804491 522400042 /nfs/dbraw/zinc/40/00/42/522400042.db2.gz IXMORWILNZJKTA-CQSZACIVSA-N 1 0 256.305 2.314 10 0 CEAERO C[NH2+][C@@H]1COc2cc(OCc3ncc(Cl)n3C)ccc21 ZINC000062804205 522401344 /nfs/dbraw/zinc/40/13/44/522401344.db2.gz QVOOXOSRWUDXQZ-LLVKDONJSA-N 1 0 293.754 2.305 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2C[C@H]1S(=O)(=O)c1ccccc1 ZINC000061702780 522403218 /nfs/dbraw/zinc/40/32/18/522403218.db2.gz YYCQVMWPYGXWDU-HZPDHXFCSA-N 1 0 287.384 2.346 10 0 CEAERO C[NH2+][C@H](C)c1ccc(F)cc1OCc1ncon1 ZINC000062746223 522447183 /nfs/dbraw/zinc/44/71/83/522447183.db2.gz JVQHRGYGHHEWJK-MRVPVSSYSA-N 1 0 251.261 2.068 10 0 CEAERO C[NH2+][C@H](C)c1cnc(N2CCOC(C)(C)C2)s1 ZINC000054904543 522453889 /nfs/dbraw/zinc/45/38/89/522453889.db2.gz VQPDJZDWEYZDBH-SECBINFHSA-N 1 0 255.387 2.039 10 0 CEAERO C[NH2+][C@H](Cc1cccc(OC)c1)Cc1ccccn1 ZINC000053825521 522473613 /nfs/dbraw/zinc/47/36/13/522473613.db2.gz PKFGYLPTCARXIR-OAHLLOKOSA-N 1 0 256.349 2.463 10 0 CEAERO C[NH2+][C@H](Cc1ccncc1)c1ccc2c(c1)OCCO2 ZINC000055229189 522475526 /nfs/dbraw/zinc/47/55/26/522475526.db2.gz XNMTWMPKBZMHKX-CQSZACIVSA-N 1 0 270.332 2.356 10 0 CEAERO CCc1nc2ccccc2n1[C@@H](C)C[C@@](C)([NH3+])C(=O)OC ZINC000068650186 522503595 /nfs/dbraw/zinc/50/35/95/522503595.db2.gz CZMRLHYUDHQVNW-MEDUHNTESA-N 1 0 289.379 2.440 10 0 CEAERO C[NH2+][C@H]1CCc2c1cccc2OC[C@@H](O)C(F)(F)F ZINC000068878058 522505959 /nfs/dbraw/zinc/50/59/59/522505959.db2.gz DQUYVXMQSIQBDZ-CMPLNLGQSA-N 1 0 275.270 2.195 10 0 CEAERO C[NH2+][C@H]1COc2cc(OCCc3ccncc3)ccc21 ZINC000062804266 522507728 /nfs/dbraw/zinc/50/77/28/522507728.db2.gz GQUDVQXLGICRRK-HNNXBMFYSA-N 1 0 270.332 2.356 10 0 CEAERO CC[C@H](NC(=O)[C@H]1CCC[NH2+]C1)c1cccs1 ZINC000049532085 522513140 /nfs/dbraw/zinc/51/31/40/522513140.db2.gz GPAWXLJCIRJRBE-QWRGUYRKSA-N 1 0 252.383 2.315 10 0 CEAERO CC[C@@H](C[NH2+]C1CC1)n1nnc(-c2ccccc2)n1 ZINC000052574749 522546287 /nfs/dbraw/zinc/54/62/87/522546287.db2.gz UYLQOYSAEOTDIL-ZDUSSCGKSA-N 1 0 257.341 2.043 10 0 CEAERO CCc1nccn1C[C@@H]1CC[C@@H](C[NH2+]CC(C)C)O1 ZINC000052593196 522586515 /nfs/dbraw/zinc/58/65/15/522586515.db2.gz VFVPOTQAQGWSKI-KBPBESRZSA-N 1 0 265.401 2.239 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccccn1)N1CCC[C@@H]1CCCO ZINC000052757619 522653065 /nfs/dbraw/zinc/65/30/65/522653065.db2.gz HZNHVTZZALSFLV-IIAWOOMASA-N 1 0 277.412 2.097 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1nnc(C)o1)c1cccnc1 ZINC000051038049 522654152 /nfs/dbraw/zinc/65/41/52/522654152.db2.gz IADHBYCZMUDKTJ-GHMZBOCLSA-N 1 0 264.354 2.344 10 0 CEAERO CC[C@@H]([NH3+])[C@](O)(c1ccc(OC)cc1)C(F)(F)F ZINC000062784390 522656005 /nfs/dbraw/zinc/65/60/05/522656005.db2.gz KTZHAMJYMJZPDP-GHMZBOCLSA-N 1 0 263.259 2.182 10 0 CEAERO CC[C@@H]([NH3+])c1ccccc1OC[C@@H](O)C(F)(F)F ZINC000068875723 522657310 /nfs/dbraw/zinc/65/73/10/522657310.db2.gz OINCRPJLGMZNCE-MWLCHTKSSA-N 1 0 263.259 2.398 10 0 CEAERO CC[C@H](NS(=O)(=O)c1cccc2c1CC[NH2+]C2)C(C)C ZINC000049147166 522681810 /nfs/dbraw/zinc/68/18/10/522681810.db2.gz XFCMDODYPLFBIM-AWEZNQCLSA-N 1 0 296.436 2.045 10 0 CEAERO CC[C@@H](NC(=O)[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000052342737 522769276 /nfs/dbraw/zinc/76/92/76/522769276.db2.gz ZEKZIEDUHLGHFN-UONOGXRCSA-N 1 0 252.402 2.461 10 0 CEAERO CC[C@@H](NC(=O)c1cc[nH+]c(NN)c1)c1cccs1 ZINC000051095063 522797435 /nfs/dbraw/zinc/79/74/35/522797435.db2.gz NLWWURCRGLOFAI-SNVBAGLBSA-N 1 0 276.365 2.310 10 0 CEAERO CC[C@H](Oc1c(C[NH2+]C(C)(C)C)cccc1OC)C(N)=O ZINC000062732251 522867500 /nfs/dbraw/zinc/86/75/00/522867500.db2.gz PYLUULFADHSAHK-LBPRGKRZSA-N 1 0 294.395 2.226 10 0 CEAERO CC[C@H](c1cccs1)n1nnnc1C[NH2+]C(C)C ZINC000054747127 522951959 /nfs/dbraw/zinc/95/19/59/522951959.db2.gz OWZLGYRKPUZMBI-SNVBAGLBSA-N 1 0 265.386 2.232 10 0 CEAERO COc1cc([C@H]([NH3+])c2cnccn2)cc(Cl)c1OC ZINC000069499695 522951957 /nfs/dbraw/zinc/95/19/57/522951957.db2.gz GPWIGIONDPGGRL-LBPRGKRZSA-N 1 0 279.727 2.195 10 0 CEAERO COC(=O)CCCOc1cc(F)ccc1[C@H](C)[NH3+] ZINC000062745402 523030230 /nfs/dbraw/zinc/03/02/30/523030230.db2.gz KGYUJBPPFYFGLI-VIFPVBQESA-N 1 0 255.289 2.177 10 0 CEAERO COC(=O)CCOc1ccc(C[NH2+]CC(C)C)cc1 ZINC000069317514 523105279 /nfs/dbraw/zinc/10/52/79/523105279.db2.gz UHUTXRQBKYGKIO-UHFFFAOYSA-N 1 0 265.353 2.374 10 0 CEAERO CN(C[C@](C)([NH3+])c1ccccc1)[C@@H]1CCSC1 ZINC000052883301 523152601 /nfs/dbraw/zinc/15/26/01/523152601.db2.gz FXKJPDIALDJEGH-KGLIPLIRSA-N 1 0 250.411 2.298 10 0 CEAERO CCn1c2ccc([C@H]([NH2+]C)C3CCOCC3)cc2oc1=O ZINC000061672274 523271213 /nfs/dbraw/zinc/27/12/13/523271213.db2.gz OIZHQCWQEHDAFZ-OAHLLOKOSA-N 1 0 290.363 2.302 10 0 CEAERO CC[C@H]1CN(c2nc(C3CC3)c(C[NH3+])s2)CCO1 ZINC000069147044 523309220 /nfs/dbraw/zinc/30/92/20/523309220.db2.gz YHWHZYAXZCYOGM-JTQLQIEISA-N 1 0 267.398 2.094 10 0 CEAERO CC[C@@H]1CCN(C[C@@H]2Cc3ccccc3O2)CC[NH2+]1 ZINC000051087175 523332137 /nfs/dbraw/zinc/33/21/37/523332137.db2.gz KQFNVCZCILTNNG-CABCVRRESA-N 1 0 260.381 2.064 10 0 CEAERO CN(Cc1ccccc1)C(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000051092024 523339536 /nfs/dbraw/zinc/33/95/36/523339536.db2.gz IUCNJDRYTMPRPG-UHFFFAOYSA-N 1 0 290.754 2.293 10 0 CEAERO CC[C@H]1CO[C@@H](C)CN1c1ncc([C@@H](C)[NH3+])s1 ZINC000054898187 523346810 /nfs/dbraw/zinc/34/68/10/523346810.db2.gz SDGYYIGGQXVDEV-AEJSXWLSSA-N 1 0 255.387 2.167 10 0 CEAERO CC[C@H]1CO[C@H](C)CN1[C@@H]1C[NH2+]Cc2ccccc21 ZINC000069266129 523353952 /nfs/dbraw/zinc/35/39/52/523353952.db2.gz ZEALLKRYSMKHKZ-IVMMDQJWSA-N 1 0 260.381 2.330 10 0 CEAERO COCCC[NH2+]C[C@@H](C)N1CCCc2ccccc21 ZINC000053487451 523372636 /nfs/dbraw/zinc/37/26/36/523372636.db2.gz NGDGBUQZZTUTSA-CQSZACIVSA-N 1 0 262.397 2.454 10 0 CEAERO CCn1cc(COc2cccc(C[C@@H](C)[NH3+])c2)cn1 ZINC000050543428 523392079 /nfs/dbraw/zinc/39/20/79/523392079.db2.gz AJXFUQRUZBSKJR-GFCCVEGCSA-N 1 0 259.353 2.372 10 0 CEAERO CCn1cc(C[C@H]([NH2+]C)c2ccc(OC)cc2)cn1 ZINC000050542233 523396063 /nfs/dbraw/zinc/39/60/63/523396063.db2.gz ULIWTZGQPRJBQM-HNNXBMFYSA-N 1 0 259.353 2.415 10 0 CEAERO CN(Cc1cccnc1)[C@@H](C[NH3+])CCc1ccccc1 ZINC000061624643 523417896 /nfs/dbraw/zinc/41/78/96/523417896.db2.gz CPHZGCVRIWLCHW-QGZVFWFLSA-N 1 0 269.392 2.474 10 0 CEAERO CN(Cc1ccncc1)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181912 523463254 /nfs/dbraw/zinc/46/32/54/523463254.db2.gz NFFGFXKNSGERAU-UHFFFAOYSA-N 1 0 289.423 2.062 10 0 CEAERO CC[C@@H]1COCCN1c1ccc(C(N)=[NH2+])cc1Cl ZINC000062794047 523502512 /nfs/dbraw/zinc/50/25/12/523502512.db2.gz NOMBEKAMOYAFHK-SNVBAGLBSA-N 1 0 267.760 2.239 10 0 CEAERO COc1ccc(Br)cc1NC(=O)C(C)(C)[NH3+] ZINC000049569830 523505616 /nfs/dbraw/zinc/50/56/16/523505616.db2.gz GYSSFJNILMOVHF-UHFFFAOYSA-N 1 0 287.157 2.134 10 0 CEAERO CCn1ccnc1-c1cc(OC)c(OC)cc1C[NH2+]C ZINC000069474219 523511844 /nfs/dbraw/zinc/51/18/44/523511844.db2.gz QTBOZIRBZGPIAT-UHFFFAOYSA-N 1 0 275.352 2.307 10 0 CEAERO CN(Cc1cnn(C)c1)c1cc(Cl)ccc1C[NH3+] ZINC000062786913 523519898 /nfs/dbraw/zinc/51/98/98/523519898.db2.gz RGQBAJNNFOZOGK-UHFFFAOYSA-N 1 0 264.760 2.169 10 0 CEAERO CC[C@]1(C(=O)N(C)Cc2ccco2)CCC[NH2+]C1 ZINC000062853782 523534118 /nfs/dbraw/zinc/53/41/18/523534118.db2.gz ILIXMUJWRHEYMB-AWEZNQCLSA-N 1 0 250.342 2.018 10 0 CEAERO CC[C@]1(C(=O)N2CCC[C@H](C(F)(F)F)C2)CC[NH2+]C1 ZINC000062893985 523535033 /nfs/dbraw/zinc/53/50/33/523535033.db2.gz GRVAZFVDXUFTTC-JQWIXIFHSA-N 1 0 278.318 2.177 10 0 CEAERO CC[C@]1(C(=O)NCc2cccc(COC)c2)CCC[NH2+]C1 ZINC000062857950 523539930 /nfs/dbraw/zinc/53/99/30/523539930.db2.gz UAKBHQQJOMCWKW-KRWDZBQOSA-N 1 0 290.407 2.229 10 0 CEAERO CC[C@]1(C(=O)Nc2cccc(OCCOC)c2)CC[NH2+]C1 ZINC000062894209 523545634 /nfs/dbraw/zinc/54/56/34/523545634.db2.gz CJKHITRNIZIYGP-INIZCTEOSA-N 1 0 292.379 2.040 10 0 CEAERO COCCN(C(=O)[C@](C)([NH3+])c1ccccc1)[C@@H](C)C1CC1 ZINC000052882213 523550651 /nfs/dbraw/zinc/55/06/51/523550651.db2.gz UPWOLTXJSQTIMJ-SUMWQHHRSA-N 1 0 290.407 2.134 10 0 CEAERO CC[C@@](C)(O)C[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000161732566 523660914 /nfs/dbraw/zinc/66/09/14/523660914.db2.gz BAOCNGVAJYDTQT-QGZVFWFLSA-N 1 0 296.455 2.308 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@@H](C)COC)c1C ZINC000045658189 523663005 /nfs/dbraw/zinc/66/30/05/523663005.db2.gz HOQNVACYRFDPHW-MNOVXSKESA-N 1 0 253.390 2.453 10 0 CEAERO CN(c1nc(C2CC2)c(C[NH3+])s1)[C@H]1CCSC1 ZINC000069146942 523664120 /nfs/dbraw/zinc/66/41/20/523664120.db2.gz WREHZWKFPAJZRM-VIFPVBQESA-N 1 0 269.439 2.421 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+][C@H](C)CC[S@](C)=O)c1C ZINC000163417925 523664397 /nfs/dbraw/zinc/66/43/97/523664397.db2.gz UWONXLYTOYAMIZ-RMDKCXRXSA-N 1 0 285.457 2.328 10 0 CEAERO COCCN(CC(C)C)C(=O)C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000055133055 523671470 /nfs/dbraw/zinc/67/14/70/523671470.db2.gz UVSNYYMRFYFVPE-ZIAGYGMSSA-N 1 0 270.417 2.025 10 0 CEAERO CC[C@@]1(C(=O)Nc2ccc(OC)c(OC)c2)CCC[NH2+]C1 ZINC000062852163 523697503 /nfs/dbraw/zinc/69/75/03/523697503.db2.gz VKCXCUGNMCUDNE-MRXNPFEDSA-N 1 0 292.379 2.422 10 0 CEAERO CC[C@@]1(C(=O)Nc2ccc(OC)cc2OC)CCC[NH2+]C1 ZINC000062851975 523697524 /nfs/dbraw/zinc/69/75/24/523697524.db2.gz PEQMLSBRELUINA-MRXNPFEDSA-N 1 0 292.379 2.422 10 0 CEAERO CC[C@@]1(C)C[C@H]([NH2+][C@@H](CC(C)C)C(=O)N(C)C)CCO1 ZINC000070349021 523727980 /nfs/dbraw/zinc/72/79/80/523727980.db2.gz WCQLTKNOLGKLOE-YCPHGPKFSA-N 1 0 284.444 2.427 10 0 CEAERO CCn1nccc1[C@H](Cc1ccc(OC)cc1)[NH2+]C ZINC000069471444 523746907 /nfs/dbraw/zinc/74/69/07/523746907.db2.gz OOJHAERADLDLIZ-AWEZNQCLSA-N 1 0 259.353 2.415 10 0 CEAERO COCCN([C@@H](C[NH3+])c1cccc2cccnc21)C1CC1 ZINC000069502649 523781024 /nfs/dbraw/zinc/78/10/24/523781024.db2.gz MLEIVLXSDSAOOK-INIZCTEOSA-N 1 0 285.391 2.345 10 0 CEAERO COCCN([C@H](C[NH3+])c1cccc2cccnc21)C1CC1 ZINC000069502651 523782887 /nfs/dbraw/zinc/78/28/87/523782887.db2.gz MLEIVLXSDSAOOK-MRXNPFEDSA-N 1 0 285.391 2.345 10 0 CEAERO COCCN1C(=O)CC[C@@H]([NH3+])[C@@H]1c1ccc(C(C)C)cc1 ZINC000062213556 523796442 /nfs/dbraw/zinc/79/64/42/523796442.db2.gz DUCJRQRRTQDZOD-WBVHZDCISA-N 1 0 290.407 2.447 10 0 CEAERO COc1ccc(C)cc1C(=O)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000052943825 523801025 /nfs/dbraw/zinc/80/10/25/523801025.db2.gz DPRHGKORCXNDQG-YHWZYXNKSA-N 1 0 274.364 2.098 10 0 CEAERO COc1ccc(C)cc1C(=O)NCC[C@H]1CCCC[NH2+]1 ZINC000052943437 523801839 /nfs/dbraw/zinc/80/18/39/523801839.db2.gz MFIDOAQCWUQMLO-CYBMUJFWSA-N 1 0 276.380 2.266 10 0 CEAERO CCc1cc(N[C@@H](CC(C)C)C[NH+](C)C)ncn1 ZINC000049558091 523823216 /nfs/dbraw/zinc/82/32/16/523823216.db2.gz HDILZUXIJLUQPD-ZDUSSCGKSA-N 1 0 250.390 2.427 10 0 CEAERO COc1ccc(C)cc1[C@H](O)C[NH2+]C1(CO)CCCCC1 ZINC000053097112 523860538 /nfs/dbraw/zinc/86/05/38/523860538.db2.gz RNWLACJKVNKCAM-OAHLLOKOSA-N 1 0 293.407 2.322 10 0 CEAERO COCC[NH2+]CC1(c2ccc(C)cc2)CCOCC1 ZINC000053739427 523935729 /nfs/dbraw/zinc/93/57/29/523935729.db2.gz NDYPJHYNOSLNOV-UHFFFAOYSA-N 1 0 263.381 2.279 10 0 CEAERO CC[C@H](C)[N@H+](CC)Cc1ccnc(C(N)=S)c1 ZINC000068751931 523936037 /nfs/dbraw/zinc/93/60/37/523936037.db2.gz SMWHXLJAOGPNMB-JTQLQIEISA-N 1 0 251.399 2.336 10 0 CEAERO COCC[NH2+]CC1(O)CCC(c2ccccc2)CC1 ZINC000055030408 523936011 /nfs/dbraw/zinc/93/60/11/523936011.db2.gz FHJLTWKWFVEXMF-UHFFFAOYSA-N 1 0 263.381 2.311 10 0 CEAERO CC[C@H](C)N(CCOC)C(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000052882936 523936896 /nfs/dbraw/zinc/93/68/96/523936896.db2.gz PLMCTTCJYAUSJA-BBRMVZONSA-N 1 0 278.396 2.134 10 0 CEAERO COCC[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000055030552 523940878 /nfs/dbraw/zinc/94/08/78/523940878.db2.gz LQJYQDJYYPJHJF-LLVKDONJSA-N 1 0 264.152 2.263 10 0 CEAERO COCC[NH2+]C[C@@H]1C[C@@]1(C)c1ccc(OC)c(OC)c1 ZINC000054599228 523941767 /nfs/dbraw/zinc/94/17/67/523941767.db2.gz CZWZOZAPMADQDN-BBRMVZONSA-N 1 0 279.380 2.217 10 0 CEAERO COCC[NH2+]C[C@H]1C[C@@]1(C)c1cc(F)ccc1F ZINC000054599186 523944797 /nfs/dbraw/zinc/94/47/97/523944797.db2.gz KTMWWRUGKQABRI-QMTHXVAHSA-N 1 0 255.308 2.478 10 0 CEAERO COCC[NH2+]Cc1cc(F)ccc1N1CCC(OC)CC1 ZINC000062735585 523949952 /nfs/dbraw/zinc/94/99/52/523949952.db2.gz JQOGIDOMRBYDKU-UHFFFAOYSA-N 1 0 296.386 2.177 10 0 CEAERO COCC[NH2+]Cc1ccc(OC)cc1OC(C)C ZINC000062733263 523951666 /nfs/dbraw/zinc/95/16/66/523951666.db2.gz LCNWAZFAKVZYSS-UHFFFAOYSA-N 1 0 253.342 2.218 10 0 CEAERO COCC[NH2+]Cc1cccc(OC)c1OCC1CC1 ZINC000062732373 523954067 /nfs/dbraw/zinc/95/40/67/523954067.db2.gz LGHNWPCHJWOCDS-UHFFFAOYSA-N 1 0 265.353 2.220 10 0 CEAERO COCC[NH2+]Cc1ccccc1N(C)C[C@@H]1CCCCO1 ZINC000062737084 523954891 /nfs/dbraw/zinc/95/48/91/523954891.db2.gz JJSLERSKLZGYBH-INIZCTEOSA-N 1 0 292.423 2.428 10 0 CEAERO COCC[NH2+]Cc1sc(N2C[C@H]3CC[C@@H]2C3)nc1C ZINC000055000138 523958546 /nfs/dbraw/zinc/95/85/46/523958546.db2.gz BBAKNSOUORPYON-NWDGAFQWSA-N 1 0 281.425 2.176 10 0 CEAERO CO[C@H](c1nc([C@@H]([NH3+])C2CC2)no1)c1ccccc1 ZINC000050438347 523959497 /nfs/dbraw/zinc/95/94/97/523959497.db2.gz SEHFAANPEJFGOX-RYUDHWBXSA-N 1 0 259.309 2.215 10 0 CEAERO CC[C@H](C)[NH+]1CCN(c2ccc(CO)cc2F)CC1 ZINC000055067945 523960766 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ZINC000069447218 525621543 /nfs/dbraw/zinc/62/15/43/525621543.db2.gz YFBURSRKLCOBCZ-NWDGAFQWSA-N 1 0 289.466 2.214 10 0 CEAERO Cc1cc2c(n1Cc1cnc(C)cn1)CCC[C@@H]2[NH3+] ZINC000061322667 525622756 /nfs/dbraw/zinc/62/27/56/525622756.db2.gz MUPQBKQVTJZRKI-AWEZNQCLSA-N 1 0 256.353 2.279 10 0 CEAERO CSC[C@@H](C)C[NH2+]Cc1ccc(C(N)=O)cc1F ZINC000069447611 525624271 /nfs/dbraw/zinc/62/42/71/525624271.db2.gz VJXHDOAJUFUFCO-VIFPVBQESA-N 1 0 270.373 2.013 10 0 CEAERO COc1ccc2cc([C@@H]([NH3+])[C@H]3COCCO3)ccc2c1 ZINC000055301242 525637726 /nfs/dbraw/zinc/63/77/26/525637726.db2.gz XKFUZFYEKVQIGX-HZPDHXFCSA-N 1 0 273.332 2.264 10 0 CEAERO C[C@@H]1[C@@H](C)CCC[N@@H+]1CC(=O)Nc1ccc(F)cc1N ZINC000050562905 525639354 /nfs/dbraw/zinc/63/93/54/525639354.db2.gz AVFIRQIALRUTJS-WDEREUQCSA-N 1 0 279.359 2.467 10 0 CEAERO CSC[C@H](C)C[NH2+]Cc1nc2ccccc2c(=O)[nH]1 ZINC000069443627 525682662 /nfs/dbraw/zinc/68/26/62/525682662.db2.gz NAXLJKSSKQCDTL-SNVBAGLBSA-N 1 0 277.393 2.012 10 0 CEAERO C[C@@](CO)(C[N@@H+]1CCCSCC1)c1ccccc1 ZINC000051295919 525741429 /nfs/dbraw/zinc/74/14/29/525741429.db2.gz CQDZYPALZSBKDE-HNNXBMFYSA-N 1 0 265.422 2.376 10 0 CEAERO C[C@H](O)CN(C)c1ccccc1C[NH2+]C(C)(C)C ZINC000062738172 525744176 /nfs/dbraw/zinc/74/41/76/525744176.db2.gz XBKVQPHQGVQXFG-LBPRGKRZSA-N 1 0 250.386 2.392 10 0 CEAERO C[C@@]([NH3+])(C(=O)Nc1ccc(CCO)cc1)c1ccccc1 ZINC000052882638 525749627 /nfs/dbraw/zinc/74/96/27/525749627.db2.gz PFUWRHIZOYMHRO-KRWDZBQOSA-N 1 0 284.359 2.034 10 0 CEAERO Cc1c(N)cccc1CN1CC[NH+](CC(C)C)CC1 ZINC000055076917 525820097 /nfs/dbraw/zinc/82/00/97/525820097.db2.gz MMZMFDJOAFKRGJ-UHFFFAOYSA-N 1 0 261.413 2.351 10 0 CEAERO C[C@@H](O)c1ccccc1NC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000061612920 525873103 /nfs/dbraw/zinc/87/31/03/525873103.db2.gz PPCMMHGMDMXCGK-DOMZBBRYSA-N 1 0 284.359 2.421 10 0 CEAERO Cc1ccc(-n2nnnc2C[NH2+]C(C)(C)C)c(C)c1 ZINC000054744422 525937383 /nfs/dbraw/zinc/93/73/83/525937383.db2.gz KXDYDIGVNJLWBT-UHFFFAOYSA-N 1 0 259.357 2.167 10 0 CEAERO C[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H]1CCCC[C@@H]1[NH3+] ZINC000051018583 525940486 /nfs/dbraw/zinc/94/04/86/525940486.db2.gz NFPRYPZDKIUROT-SWHYSGLUSA-N 1 0 296.798 2.493 10 0 CEAERO Cc1cnc(Cn2c(N)[nH+]c3cccc(Cl)c32)cn1 ZINC000061322028 526066027 /nfs/dbraw/zinc/06/60/27/526066027.db2.gz BJOYNPOHNYIOGV-UHFFFAOYSA-N 1 0 273.727 2.419 10 0 CEAERO Cc1cc(Br)cc2c1N(C)CC[NH2+]C2 ZINC000062625812 526160164 /nfs/dbraw/zinc/16/01/64/526160164.db2.gz ZHFXIMJUXIVDNF-UHFFFAOYSA-N 1 0 255.159 2.297 10 0 CEAERO C[C@@H](c1nncn1C)n1ccc2c1CC(C)(C)C[C@@H]2[NH3+] ZINC000050422288 526186369 /nfs/dbraw/zinc/18/63/69/526186369.db2.gz OFOOOVDWWJGFTR-JQWIXIFHSA-N 1 0 273.384 2.198 10 0 CEAERO C[C@H](C1CC1)N(CC(F)(F)F)C(=O)CC[C@H](C)[NH3+] ZINC000070316514 526205395 /nfs/dbraw/zinc/20/53/95/526205395.db2.gz HJGLCSMEMAGPFO-DTWKUNHWSA-N 1 0 266.307 2.303 10 0 CEAERO Cc1ccc2c(c1)nc(CN1CC[NH2+]CC1)n2C(C)C ZINC000051639899 526219240 /nfs/dbraw/zinc/21/92/40/526219240.db2.gz PIIYWOLQGBUYNT-UHFFFAOYSA-N 1 0 272.396 2.331 10 0 CEAERO COc1cccc(OC)c1OCc1cccnc1C[NH3+] ZINC000061657181 526223988 /nfs/dbraw/zinc/22/39/88/526223988.db2.gz GZRPLNFXIIYQLB-UHFFFAOYSA-N 1 0 274.320 2.137 10 0 CEAERO Cc1ccc(C(N)=O)c(N[C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000063214458 526251956 /nfs/dbraw/zinc/25/19/56/526251956.db2.gz LNIBARVJRXOKBJ-STQMWFEESA-N 1 0 261.369 2.166 10 0 CEAERO Cc1nn(C[C@@H]2CCOC2)c(C)c1C[NH2+]C(C)(C)C ZINC000054717530 526285519 /nfs/dbraw/zinc/28/55/19/526285519.db2.gz RVWFUGHUBTUPCJ-ZDUSSCGKSA-N 1 0 265.401 2.425 10 0 CEAERO Cc1nn([C@@H]2CCCC[C@H]2O)c(C)c1C[NH2+]C1CC1 ZINC000054599995 526303079 /nfs/dbraw/zinc/30/30/79/526303079.db2.gz SFAZYBFQDHUMTE-HUUCEWRRSA-N 1 0 263.385 2.228 10 0 CEAERO Cc1nn([C@H]2CCCC[C@H]2O)c(C)c1C[NH2+]C(C)C ZINC000054599992 526306849 /nfs/dbraw/zinc/30/68/49/526306849.db2.gz QWEMWWCHPANTGV-LSDHHAIUSA-N 1 0 265.401 2.474 10 0 CEAERO Fc1ccc(-c2cc(N3CC[NH2+]CC3)n[nH]2)cc1Cl ZINC000062669970 526313039 /nfs/dbraw/zinc/31/30/39/526313039.db2.gz XWHQCZYHNUIQAT-UHFFFAOYSA-N 1 0 280.734 2.279 10 0 CEAERO O=C([O-])[C@H]1CCCC[C@H]1[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062756981 526321695 /nfs/dbraw/zinc/32/16/95/526321695.db2.gz MKSATQPMYHUWPP-JKSUJKDBSA-N 1 0 294.439 2.438 10 0 CEAERO Fc1ccc(CN2CC[NH2+][C@H](C3CC3)C2)c(F)c1 ZINC000068692643 526334365 /nfs/dbraw/zinc/33/43/65/526334365.db2.gz XCEOFFZNPAHMCE-AWEZNQCLSA-N 1 0 252.308 2.149 10 0 CEAERO Cc1csc(CNC[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)n1 ZINC000049539140 526356717 /nfs/dbraw/zinc/35/67/17/526356717.db2.gz QEXISHBZAAULEU-AVGNSLFASA-N 1 0 265.426 2.462 10 0 CEAERO Fc1ccc(OCC[NH2+]C[C@@H]2CCOC2)c(Cl)c1 ZINC000053586339 526357635 /nfs/dbraw/zinc/35/76/35/526357635.db2.gz ZATPYBHWFLVCNA-JTQLQIEISA-N 1 0 273.735 2.484 10 0 CEAERO Cc1nnc(OC[C@@H]2CCC[NH2+]C2)c2ccccc12 ZINC000051883019 526376636 /nfs/dbraw/zinc/37/66/36/526376636.db2.gz RPYOSKHEBQAKJV-GFCCVEGCSA-N 1 0 257.337 2.317 10 0 CEAERO O=C(OCc1ccccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000048634969 526426736 /nfs/dbraw/zinc/42/67/36/526426736.db2.gz OCSHSACMTIUGKJ-SNVBAGLBSA-N 1 0 253.729 2.383 10 0 CEAERO c1ccc(OCCOC[C@H]2CC[C@@H](C[NH2+]C3CC3)O2)cc1 ZINC000052628544 526486481 /nfs/dbraw/zinc/48/64/81/526486481.db2.gz ZGSWMHBVOWPVKX-DLBZAZTESA-N 1 0 291.391 2.382 10 0 CEAERO O=C(CC[NH2+]CCc1ccc(Cl)cc1)NC1CC1 ZINC000054049695 526510740 /nfs/dbraw/zinc/51/07/40/526510740.db2.gz IJCVUYPVASPUIR-UHFFFAOYSA-N 1 0 266.772 2.141 10 0 CEAERO c1cn(-c2cc(C[NH2+]C3CC3)ccn2)nc1C1CC1 ZINC000052885231 526523884 /nfs/dbraw/zinc/52/38/84/526523884.db2.gz CJFTXEUXSUVYRJ-UHFFFAOYSA-N 1 0 254.337 2.397 10 0 CEAERO c1cncc(-c2noc(CC[C@H]3CCCC[NH2+]3)n2)c1 ZINC000050927986 526546146 /nfs/dbraw/zinc/54/61/46/526546146.db2.gz IFTYSOQDVPEDOB-GFCCVEGCSA-N 1 0 258.325 2.206 10 0 CEAERO O=C(CC[C@@H]1CCCC[NH2+]1)N[C@H]1CCC[C@@H]1n1ccnc1 ZINC000050945180 526548396 /nfs/dbraw/zinc/54/83/96/526548396.db2.gz KQHYDOJMCCAATO-KKUMJFAQSA-N 1 0 290.411 2.015 10 0 CEAERO O=C(CC[C@@H]1CCCC[NH2+]1)Nc1nc2c(s1)CCC2 ZINC000050951335 526548520 /nfs/dbraw/zinc/54/85/20/526548520.db2.gz BILVXNDZQKMGCV-JTQLQIEISA-N 1 0 279.409 2.493 10 0 CEAERO O=C(CC[C@H]1CCCC[NH2+]1)NCCc1ccsc1 ZINC000050951158 526565473 /nfs/dbraw/zinc/56/54/73/526565473.db2.gz FIKGLDCDOQEJKX-CYBMUJFWSA-N 1 0 266.410 2.329 10 0 CEAERO c1ncn(Cc2c3ccccc3oc2C[NH2+]C2CC2)n1 ZINC000052575097 526616199 /nfs/dbraw/zinc/61/61/99/526616199.db2.gz IJHYSJARGUXDTC-UHFFFAOYSA-N 1 0 268.320 2.325 10 0 CEAERO NC(=[NH2+])c1ccc(OCCSC2CCOCC2)cc1 ZINC000062054564 526823546 /nfs/dbraw/zinc/82/35/46/526823546.db2.gz XLZQGUNDBWJJID-UHFFFAOYSA-N 1 0 280.393 2.262 10 0 CEAERO NC(=[NH2+])c1ccnc(-n2cc(-c3ccccc3)cn2)c1 ZINC000054961481 526824616 /nfs/dbraw/zinc/82/46/16/526824616.db2.gz ZSDUWZPTDBCRFK-UHFFFAOYSA-N 1 0 263.304 2.218 10 0 CEAERO Cc1occc1CN(C)[C@@H](C)C[NH2+]C[C@@H]1CCCO1 ZINC000053498141 526824983 /nfs/dbraw/zinc/82/49/83/526824983.db2.gz DENNKJVBBNLMTJ-WFASDCNBSA-N 1 0 266.385 2.177 10 0 CEAERO O=C(NOCC[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000062578180 526845546 /nfs/dbraw/zinc/84/55/46/526845546.db2.gz IUNOSHUHFSGGMG-UHFFFAOYSA-N 1 0 282.771 2.487 10 0 CEAERO Cc1sc2[nH]c(C[NH2+][C@@H]3C[C@H]3C)nc(=O)c2c1C ZINC000052287580 526885917 /nfs/dbraw/zinc/88/59/17/526885917.db2.gz ZAHASXQUKFFBAV-HZGVNTEJSA-N 1 0 263.366 2.099 10 0 CEAERO Cc1ncc(C[NH2+]Cc2ccccc2-n2cccn2)[nH]1 ZINC000054822420 526888619 /nfs/dbraw/zinc/88/86/19/526888619.db2.gz AWIPVJXJINOAOU-UHFFFAOYSA-N 1 0 267.336 2.194 10 0 CEAERO O=C(C[NH2+][C@H]1CCCc2sccc21)N1CCCC1 ZINC000061362585 526891635 /nfs/dbraw/zinc/89/16/35/526891635.db2.gz MBQUFUHQNUTWQL-LBPRGKRZSA-N 1 0 264.394 2.338 10 0 CEAERO Cc1nc(Cc2ccncc2)nc(C)c1[C@H](C)C[NH3+] ZINC000054836972 526928611 /nfs/dbraw/zinc/92/86/11/526928611.db2.gz BKTKJFDODTYHNY-SNVBAGLBSA-N 1 0 256.353 2.141 10 0 CEAERO NC(=O)[C@@]1([NH2+]C2CCCCCC2)CCCSC1 ZINC000061590461 526991587 /nfs/dbraw/zinc/99/15/87/526991587.db2.gz CKJMFJVUJWUSCE-CYBMUJFWSA-N 1 0 256.415 2.050 10 0 CEAERO O=C1COc2ccc(Cl)cc2N1CC[C@H]1CCC[NH2+]C1 ZINC000051919858 527015834 /nfs/dbraw/zinc/01/58/34/527015834.db2.gz ZWEXGDCXZQHMRF-LLVKDONJSA-N 1 0 294.782 2.455 10 0 CEAERO NC(=O)[C@](CSc1ccccc1)([NH2+]C1CC1)C1CC1 ZINC000069185553 527015994 /nfs/dbraw/zinc/01/59/94/527015994.db2.gz RWSYOAXDUDUEPK-OAHLLOKOSA-N 1 0 276.405 2.165 10 0 CEAERO [NH3+]C1(c2noc(C3CCOCC3)n2)CCCCC1 ZINC000061673816 527134095 /nfs/dbraw/zinc/13/40/95/527134095.db2.gz VKXQUPCQYYBWHK-UHFFFAOYSA-N 1 0 251.330 2.082 10 0 CEAERO [NH3+]C1CCC(CCC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1 ZINC000055134199 527138799 /nfs/dbraw/zinc/13/87/99/527138799.db2.gz JXSAUAXRVQICOZ-FJBKBRRZSA-N 1 0 294.439 2.454 10 0 CEAERO [NH3+]C1CCC(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000055134134 527139629 /nfs/dbraw/zinc/13/96/29/527139629.db2.gz BDCHDIXLJCSPIB-PFSRBDOWSA-N 1 0 280.412 2.064 10 0 CEAERO [NH3+]CCCN(C(=O)CC1CC1)c1ccccc1F ZINC000049728585 527177028 /nfs/dbraw/zinc/17/70/28/527177028.db2.gz LAGMYBMRZMPMRH-UHFFFAOYSA-N 1 0 250.317 2.308 10 0 CEAERO [NH3+]CCCN(C(=O)[C@H]1CCCc2ccccc21)C1CC1 ZINC000054668342 527177142 /nfs/dbraw/zinc/17/71/42/527177142.db2.gz DGBJAYNJRPDYPO-INIZCTEOSA-N 1 0 272.392 2.446 10 0 CEAERO O=S(=O)(C[C@H]1CCC[NH2+]1)Nc1cccc2ccccc21 ZINC000049632403 527186770 /nfs/dbraw/zinc/18/67/70/527186770.db2.gz ZOACLOAJDIJBNX-CYBMUJFWSA-N 1 0 290.388 2.334 10 0 CEAERO [NH3+]CCc1nccn1Cc1cc(Br)cs1 ZINC000052304252 527198380 /nfs/dbraw/zinc/19/83/80/527198380.db2.gz OUCCLSYEIIRNQR-UHFFFAOYSA-N 1 0 286.198 2.257 10 0 CEAERO [NH3+]C[C@@](O)(c1ccccc1C(F)(F)F)C(F)(F)F ZINC000062784714 527220472 /nfs/dbraw/zinc/22/04/72/527220472.db2.gz GZODXVMICZCNMX-MRVPVSSYSA-N 1 0 273.176 2.414 10 0 CEAERO [NH3+]C[C@H]1CCCCN1C(=O)C1(c2ccccc2)CC1 ZINC000061618365 527230182 /nfs/dbraw/zinc/23/01/82/527230182.db2.gz XAKNMUVQZWLIBV-CQSZACIVSA-N 1 0 258.365 2.058 10 0 CEAERO [NH3+]C[C@H](c1cccs1)N(CCO)Cc1ccccc1 ZINC000050513972 527230806 /nfs/dbraw/zinc/23/08/06/527230806.db2.gz QJUOEFZBMUUFCZ-CQSZACIVSA-N 1 0 276.405 2.242 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@@H]1Sc1nnc2ccccn21 ZINC000061407147 527231701 /nfs/dbraw/zinc/23/17/01/527231701.db2.gz KXPQAANGHNFWQQ-MNOVXSKESA-N 1 0 262.382 2.339 10 0 CEAERO Cn1cc(Cl)cc1C(=O)N1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000051358928 527238025 /nfs/dbraw/zinc/23/80/25/527238025.db2.gz POTXWJKCMRUHKC-VXGBXAGGSA-N 1 0 281.787 2.035 10 0 CEAERO [NH3+]C[C@H]1CCN(Cc2nc(Cl)ccc2Cl)C1 ZINC000061630487 527238269 /nfs/dbraw/zinc/23/82/69/527238269.db2.gz MELNITINFPMBIJ-MRVPVSSYSA-N 1 0 260.168 2.169 10 0 CEAERO [NH3+]C[C@]1(Cc2ccc(F)cc2Br)CCOC1 ZINC000054637603 527242418 /nfs/dbraw/zinc/24/24/18/527242418.db2.gz PECSXHRWGQEGJN-GFCCVEGCSA-N 1 0 288.160 2.496 10 0 CEAERO [NH3+]Cc1cc(N2CCC[C@@H]2c2cccnc2)ccn1 ZINC000061811574 527248677 /nfs/dbraw/zinc/24/86/77/527248677.db2.gz VFUAZACFOBBKBT-OAHLLOKOSA-N 1 0 254.337 2.277 10 0 CEAERO [NH3+]Cc1ccc(Cl)cc1N1CCC[C@H](CO)C1 ZINC000062786851 527253261 /nfs/dbraw/zinc/25/32/61/527253261.db2.gz JFYARUDBQWDYNO-JTQLQIEISA-N 1 0 254.761 2.007 10 0 CEAERO [NH3+]Cc1ccc(CNc2ncnc3c2CCC3)cc1 ZINC000061276323 527253478 /nfs/dbraw/zinc/25/34/78/527253478.db2.gz NYSUCEAGHIILSQ-UHFFFAOYSA-N 1 0 254.337 2.036 10 0 CEAERO [NH3+]Cc1cccc(-n2cc(-c3ccccc3)cn2)n1 ZINC000054961983 527259411 /nfs/dbraw/zinc/25/94/11/527259411.db2.gz RHJSDBQUGWBXJU-UHFFFAOYSA-N 1 0 250.305 2.393 10 0 CEAERO Cc1ncc(CN2[C@@H]3CCC[C@H]2CC([NH3+])C3)s1 ZINC000054602609 527261145 /nfs/dbraw/zinc/26/11/45/527261145.db2.gz DLYYPWHIRUMWJV-YOGCLGLASA-N 1 0 251.399 2.296 10 0 CEAERO NNc1cc(C(=O)Nc2ccc3c(c2)CCC3)cc[nH+]1 ZINC000051092148 527273023 /nfs/dbraw/zinc/27/30/23/527273023.db2.gz UFDAPFJHHXQZGF-UHFFFAOYSA-N 1 0 268.320 2.108 10 0 CEAERO NNc1cc(COc2ccc3c(c2)CCC3)cc[nH+]1 ZINC000052729541 527273635 /nfs/dbraw/zinc/27/36/35/527273635.db2.gz KONXZPZLZMGHKD-UHFFFAOYSA-N 1 0 255.321 2.435 10 0 CEAERO NNc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c[nH+]1 ZINC000051088749 527276898 /nfs/dbraw/zinc/27/68/98/527276898.db2.gz VXIMTMDDUZGAMJ-UHFFFAOYSA-N 1 0 286.379 2.066 10 0 CEAERO NNc1ccc(C(=O)Nc2cccc3cnccc32)c[nH+]1 ZINC000051091098 527277489 /nfs/dbraw/zinc/27/74/89/527277489.db2.gz FOLJJEUHQWQBRT-UHFFFAOYSA-N 1 0 279.303 2.168 10 0 CEAERO NNc1ccc(C(=O)N[C@@H]2CCCc3sccc32)c[nH+]1 ZINC000061374223 527277512 /nfs/dbraw/zinc/27/75/12/527277512.db2.gz HHEIQRZAXPVTFW-LLVKDONJSA-N 1 0 288.376 2.236 10 0 CEAERO NNc1ccc(C(=O)Nc2cc(F)c(F)cc2F)c[nH+]1 ZINC000061095294 527278134 /nfs/dbraw/zinc/27/81/34/527278134.db2.gz RILMNAXFWYIXTJ-UHFFFAOYSA-N 1 0 282.225 2.037 10 0 CEAERO [NH3+][C@@H](Cc1ccc(Br)cc1)c1cncnc1 ZINC000052886989 527334521 /nfs/dbraw/zinc/33/45/21/527334521.db2.gz DYMRDYHBQDIPCR-LBPRGKRZSA-N 1 0 278.153 2.482 10 0 CEAERO Cc1nccc(C[NH2+]Cc2ccccc2-n2cccn2)n1 ZINC000054790802 527337589 /nfs/dbraw/zinc/33/75/89/527337589.db2.gz SIDVNDZTEVJCBU-UHFFFAOYSA-N 1 0 279.347 2.261 10 0 CEAERO [NH3+][C@@H](Cc1ccccc1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000054685695 527338130 /nfs/dbraw/zinc/33/81/30/527338130.db2.gz VKOVCRLSHQDMHA-XJKSGUPXSA-N 1 0 271.316 2.019 10 0 CEAERO [NH3+][C@@H](c1ccccc1)[C@@H](O)c1ccc2c(c1)CCO2 ZINC000054681994 527338963 /nfs/dbraw/zinc/33/89/63/527338963.db2.gz MVPKUYUFMCYWBS-HOTGVXAUSA-N 1 0 255.317 2.355 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@H]1NC(=O)c1cc(F)ccc1F ZINC000063211635 527341396 /nfs/dbraw/zinc/34/13/96/527341396.db2.gz GUBMUOCUNUCASX-CHWSQXEVSA-N 1 0 268.307 2.355 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1NC(=O)c1c(F)cccc1Cl ZINC000063172758 527352104 /nfs/dbraw/zinc/35/21/04/527352104.db2.gz BEYATJONOGPPLU-ZJUUUORDSA-N 1 0 256.708 2.089 10 0 CEAERO [NH3+][C@@H]1Cc2ccccc2[C@H]1NC(=O)CC[C@@H]1CCCCO1 ZINC000069405640 527377446 /nfs/dbraw/zinc/37/74/46/527377446.db2.gz LNKZQVHJUYGNKY-YSVLISHTSA-N 1 0 288.391 2.077 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1NC(=O)[C@@H]1CCCc2ccccc21 ZINC000063172424 527407313 /nfs/dbraw/zinc/40/73/13/527407313.db2.gz CVOQCJQIVBIPEW-QLFBSQMISA-N 1 0 258.365 2.103 10 0 CEAERO [NH3+][C@H]1CC[C@@H](C(=O)NCC2(c3ccc(F)cc3)CCC2)C1 ZINC000154140642 527413042 /nfs/dbraw/zinc/41/30/42/527413042.db2.gz JZPZSJHQDWZVHP-DOMZBBRYSA-N 1 0 290.382 2.491 10 0 CEAERO Cn1ccnc1SCc1[nH+]c(NN)ccc1Cl ZINC000061640022 527449071 /nfs/dbraw/zinc/44/90/71/527449071.db2.gz IQARPSRVFCDEPC-UHFFFAOYSA-N 1 0 269.761 2.046 10 0 CEAERO Cc1ncsc1-c1nnc(CC[NH2+]C(C)(C)C)o1 ZINC000050620570 527473415 /nfs/dbraw/zinc/47/34/15/527473415.db2.gz MVAOKRVASORUJN-UHFFFAOYSA-N 1 0 266.370 2.432 10 0 CEAERO Cc1ncsc1CCn1ccnc1C[NH2+]C1CC1 ZINC000051015047 527493551 /nfs/dbraw/zinc/49/35/51/527493551.db2.gz ADPIERUTJXABKE-UHFFFAOYSA-N 1 0 262.382 2.143 10 0 CEAERO Nc1[nH+]c2cc(Cl)ccc2n1[C@H]1CCCS(=O)(=O)C1 ZINC000069145407 527560799 /nfs/dbraw/zinc/56/07/99/527560799.db2.gz VKZICDMHGRCPIH-VIFPVBQESA-N 1 0 299.783 2.022 10 0 CEAERO Nc1nc2ccccc2cc1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000050791770 527561725 /nfs/dbraw/zinc/56/17/25/527561725.db2.gz BBJPVUVDVXSYEA-GFCCVEGCSA-N 1 0 271.364 2.021 10 0 CEAERO Cn1nccc1[C@@H]([NH3+])Cc1c(F)cccc1Cl ZINC000069467941 527621833 /nfs/dbraw/zinc/62/18/33/527621833.db2.gz ILMZXHZIUXPTBQ-NSHDSACASA-N 1 0 253.708 2.455 10 0 CEAERO Cn1nccc1[C@@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000069467184 527623463 /nfs/dbraw/zinc/62/34/63/527623463.db2.gz NHMPOWVVURYNNE-NSHDSACASA-N 1 0 255.243 2.487 10 0 CEAERO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2c(C)nn(C)c2OC)C1(C)C ZINC000093605291 527801186 /nfs/dbraw/zinc/80/11/86/527801186.db2.gz IJPSZWFFCWAUMY-ZIAGYGMSSA-N 1 0 295.427 2.373 10 0 CEAERO CC(C)n1nnnc1C[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000173892079 528701630 /nfs/dbraw/zinc/70/16/30/528701630.db2.gz NRVLGCFKJWASSB-AGIUHOORSA-N 1 0 263.389 2.407 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H](C)C(C)C ZINC000176392355 529095161 /nfs/dbraw/zinc/09/51/61/529095161.db2.gz DEMMSRLTYHCTRB-KGLIPLIRSA-N 1 0 269.433 2.404 10 0 CEAERO CC(C)C[NH2+]Cc1cncc(N2CCSC[C@H]2C)n1 ZINC000091421829 535170054 /nfs/dbraw/zinc/17/00/54/535170054.db2.gz LLCQUIFTANXQFH-GFCCVEGCSA-N 1 0 280.441 2.164 10 0 CEAERO CC[NH2+][C@H](C)c1cc(F)c(C)cc1N1CCNC(=O)[C@@H]1C ZINC000094766667 535516630 /nfs/dbraw/zinc/51/66/30/535516630.db2.gz LIDAFHFAWRMHIO-NEPJUHHUSA-N 1 0 293.386 2.129 10 0 CEAERO CCOc1ccc(OCCN2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000178619385 535758956 /nfs/dbraw/zinc/75/89/56/535758956.db2.gz UKSMIQYJDGJQJA-OAHLLOKOSA-N 1 0 290.407 2.244 10 0 CEAERO CCn1cc(CN2CC[C@@H]([NH3+])c3ccccc32)cn1 ZINC000071325499 536056329 /nfs/dbraw/zinc/05/63/29/536056329.db2.gz PYVXXLITRFWMAP-CQSZACIVSA-N 1 0 256.353 2.313 10 0 CEAERO C[NH2+][C@H](C)c1cc(F)ccc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090906378 536406450 /nfs/dbraw/zinc/40/64/50/536406450.db2.gz QEGXADCPXWHQTA-RTXFEEFZSA-N 1 0 264.344 2.474 10 0 CEAERO CCCC[C@@H](O)C1CC[NH+](C2CCN(C(C)=O)CC2)CC1 ZINC000065288678 538838262 /nfs/dbraw/zinc/83/82/62/538838262.db2.gz ZAPFNULTSWOYDN-QGZVFWFLSA-N 1 0 296.455 2.260 10 0 CEAERO CC(C)(C)[NH2+]C[C@@H](O)COc1cccc2c1CCC[C@@H]2O ZINC000005353222 560201385 /nfs/dbraw/zinc/20/13/85/560201385.db2.gz LGXDICLRWHYEIS-DOMZBBRYSA-N 1 0 293.407 2.184 10 0 in-vitro CEAERO COc1cc2c(cc1OC)[C@@]13C[C@@H](O)C=CC1=CC[N@@H+]3CC2 ZINC000015203658 560229201 /nfs/dbraw/zinc/22/92/01/560229201.db2.gz JEBFJSHKHYDVNP-KBXCAEBGSA-N 1 0 299.370 2.018 10 0 biogenic,in-vitro CEAERO CCCc1cncc(SCCOCC[NH2+]C)c1 ZINC000757211135 574512755 /nfs/dbraw/zinc/51/27/55/574512755.db2.gz NQVSZHSOXHRLCE-UHFFFAOYSA-N 1 0 254.399 2.362 10 0 CEAERO CCCN(CCC)S(=O)(=O)C[C@@H]([NH3+])CC(C)(C)C ZINC000757151922 574510844 /nfs/dbraw/zinc/51/08/44/574510844.db2.gz PAVJEEYGUXKXRA-LBPRGKRZSA-N 1 0 278.462 2.202 10 0 CEAERO CCC(CC)[C@@H]([NH3+])CS(=O)(=O)N1CCC(C)(C)CC1 ZINC000757154387 574511141 /nfs/dbraw/zinc/51/11/41/574511141.db2.gz XTZFRCVNUNFYEC-ZDUSSCGKSA-N 1 0 290.473 2.202 10 0 CEAERO CCC1(C)CCN(S(=O)(=O)C[C@@H]([NH3+])CC(C)C)CC1 ZINC000757154385 574511148 /nfs/dbraw/zinc/51/11/48/574511148.db2.gz XTJAQNIEWLDZCY-ZDUSSCGKSA-N 1 0 290.473 2.202 10 0 CEAERO CC(C)(C)OC(=O)N[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037362326 570248562 /nfs/dbraw/zinc/24/85/62/570248562.db2.gz DDJIZZDNKQZUEE-LBPRGKRZSA-N 1 0 278.352 2.146 10 0 CEAERO C[C@@H]1CN(C(=O)c2c(Cl)cccc2Cl)C[C@@H]1[NH3+] ZINC000235346422 625336033 /nfs/dbraw/zinc/33/60/33/625336033.db2.gz RASCLEYQUOHYIT-XCBNKYQSSA-N 1 0 273.163 2.413 10 0 CEAERO Cc1cc(Cl)ncc1NC(=O)C[C@H]([NH3+])C(C)C ZINC000310287361 625448294 /nfs/dbraw/zinc/44/82/94/625448294.db2.gz HEUZKZOSPRENQV-VIFPVBQESA-N 1 0 255.749 2.355 10 0 CEAERO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(Cl)c(C)c1 ZINC000757182904 622956484 /nfs/dbraw/zinc/95/64/84/622956484.db2.gz CCICYYHLSPUGIQ-MNOVXSKESA-N 1 0 253.729 2.124 10 0 CEAERO CC[C@H](OC1CCCCC1)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000246490020 623079743 /nfs/dbraw/zinc/07/97/43/623079743.db2.gz PFIHSTOJHKTLEY-QEJZJMRPSA-N 1 0 282.428 2.358 10 0 CEAERO Cc1ccnc(N2CC[C@@H]([NH3+])[C@@H]2C)c1Br ZINC000261537334 623356173 /nfs/dbraw/zinc/35/61/73/623356173.db2.gz VHYSTTNZVRNCET-DTWKUNHWSA-N 1 0 270.174 2.078 10 0 CEAERO [NH3+]C[C@H](Nc1nnc(C(F)F)s1)C1CCCC1 ZINC000261551248 623371939 /nfs/dbraw/zinc/37/19/39/623371939.db2.gz LXPDDIQHYRRFLV-ZETCQYMHSA-N 1 0 262.329 2.405 10 0 CEAERO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(F)cc3F)C[C@@H]12 ZINC000261582289 623384131 /nfs/dbraw/zinc/38/41/31/623384131.db2.gz RDELJZMNDFDFHX-MRCXROJRSA-N 1 0 252.308 2.134 10 0 CEAERO CSC(C)(C)CNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247321712 623448210 /nfs/dbraw/zinc/44/82/10/623448210.db2.gz MLMZQGBZYYJJDM-VXGBXAGGSA-N 1 0 287.473 2.156 10 0 CEAERO COCc1cccc(CNC(=O)[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000089393239 623465505 /nfs/dbraw/zinc/46/55/05/623465505.db2.gz PWFFXOWCUJWGCN-CVEARBPZSA-N 1 0 290.407 2.214 10 0 CEAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]CC2CC(O)C2)C1 ZINC000093216432 623583505 /nfs/dbraw/zinc/58/35/05/623583505.db2.gz RTAMXXLRSPKDLB-YIFLHPOLSA-N 1 0 298.427 2.183 10 0 CEAERO C[NH2+]C[C@@H]1CCCN1c1ccc(Br)c(C)n1 ZINC000234394321 623990587 /nfs/dbraw/zinc/99/05/87/623990587.db2.gz SGSGKIUZAIGBOG-JTQLQIEISA-N 1 0 284.201 2.341 10 0 CEAERO C[C@H]1CN(C(=O)c2cccc(Cl)c2Cl)C[C@H]1[NH3+] ZINC000235660050 625697582 /nfs/dbraw/zinc/69/75/82/625697582.db2.gz QSJVDPALZFJDPQ-OIBJUYFYSA-N 1 0 273.163 2.413 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)c1ccc(Cl)nn1 ZINC000092665161 624101924 /nfs/dbraw/zinc/10/19/24/624101924.db2.gz RCZNKXLLTIHQRV-SNVBAGLBSA-N 1 0 254.765 2.051 10 0 CEAERO C[C@H]1CN(C(=O)Cc2ccc(Cl)c(Cl)c2)C[C@H]1[NH3+] ZINC000235668772 625705370 /nfs/dbraw/zinc/70/53/70/625705370.db2.gz UMYDYRSSYLCKHO-QPUJVOFHSA-N 1 0 287.190 2.342 10 0 CEAERO C[C@H]1CN(Cc2ccccc2Br)C[C@@H]1[NH3+] ZINC000235670934 625705514 /nfs/dbraw/zinc/70/55/14/625705514.db2.gz GHUSZJFTEGZKCS-CABZTGNLSA-N 1 0 269.186 2.228 10 0 CEAERO Cc1cc(C)c(C(=O)N2C[C@H]([NH3+])CC[C@H]2C(F)(F)F)o1 ZINC000888076565 624699799 /nfs/dbraw/zinc/69/97/99/624699799.db2.gz SBZBQXYMYSMIFT-ZJUUUORDSA-N 1 0 290.285 2.391 10 0 CEAERO C[C@@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2F)C[C@@H]1[NH3+] ZINC000235355715 624714284 /nfs/dbraw/zinc/71/42/84/624714284.db2.gz UIIKTFHSPMRMOV-HQJQHLMTSA-N 1 0 290.260 2.264 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)CN1C(=O)C(C)(C)C1(C)C ZINC000177691465 625818359 /nfs/dbraw/zinc/81/83/59/625818359.db2.gz UWBIGZFOSUUVLX-ZDUSSCGKSA-N 1 0 281.444 2.007 10 0 CEAERO C[Si](C)(C)C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000177743021 625857314 /nfs/dbraw/zinc/85/73/14/625857314.db2.gz LTGKAHVQLCMRDH-ZDUSSCGKSA-N 1 0 250.418 2.412 10 0 CEAERO C[NH2+]CCc1noc(-c2cc(F)c(Cl)cc2F)n1 ZINC000167750221 627669461 /nfs/dbraw/zinc/66/94/61/627669461.db2.gz GWTFCXYGMZOEHC-UHFFFAOYSA-N 1 0 273.670 2.430 10 0 CEAERO C[C@H]([NH2+]CCCOc1ccc(C#N)cc1)[C@H]1CCCO1 ZINC000183154980 628177694 /nfs/dbraw/zinc/17/76/94/628177694.db2.gz PFDUVHKRVCYYFI-XJKSGUPXSA-N 1 0 274.364 2.484 10 0 CEAERO OC[C@H]1CCCC[C@H]1[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000396426092 628224259 /nfs/dbraw/zinc/22/42/59/628224259.db2.gz RYAOCDAHNXTXCD-CQLXCSJHSA-N 1 0 295.345 2.363 10 0 CEAERO CO[C@@H](C)C[N@H+](C)C[C@H](O)c1cc2ccccc2o1 ZINC000311328026 628506978 /nfs/dbraw/zinc/50/69/78/628506978.db2.gz FCLGIHRBOHUWHC-AAEUAGOBSA-N 1 0 263.337 2.433 10 0 CEAERO C1CC(C(c2noc([C@H]3C[NH2+]CCO3)n2)C2CCC2)C1 ZINC000312946220 628565373 /nfs/dbraw/zinc/56/53/73/628565373.db2.gz JJJFHYRHBKEKNC-GFCCVEGCSA-N 1 0 277.368 2.414 10 0 CEAERO CN(Cc1ccc(Br)cc1)C(=O)C1CC([NH3+])C1 ZINC000258802250 628769534 /nfs/dbraw/zinc/76/95/34/628769534.db2.gz VYWLAYCHGIFDJM-UHFFFAOYSA-N 1 0 297.196 2.145 10 0 CEAERO C[C@H](CC[NH2+]C1CCN(CCO)CC1)c1ccccc1 ZINC000399082519 628773781 /nfs/dbraw/zinc/77/37/81/628773781.db2.gz QBBSBOJGPZJBGG-OAHLLOKOSA-N 1 0 276.424 2.227 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1Cc1cc(Br)cs1 ZINC000261527540 628921688 /nfs/dbraw/zinc/92/16/88/628921688.db2.gz CJMXUNBFLHYAQV-XCBNKYQSSA-N 1 0 275.215 2.432 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1Nc1cncc(Br)c1 ZINC000261534604 628935939 /nfs/dbraw/zinc/93/59/39/628935939.db2.gz MSOPKDUBJMXJMZ-KCJUWKMLSA-N 1 0 270.174 2.397 10 0 CEAERO C[C@H](Oc1cccc(Cl)c1)C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000261579128 628941747 /nfs/dbraw/zinc/94/17/47/628941747.db2.gz DPAPRYFCPWUXGZ-GBIKHYSHSA-N 1 0 282.771 2.055 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1Cc1ccc(OC(F)F)cc1 ZINC000261584642 628942316 /nfs/dbraw/zinc/94/23/16/628942316.db2.gz SLOOOBWIWGFIHQ-SKDRFNHKSA-N 1 0 256.296 2.210 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1c1nc([C@H]2CCCO2)no1 ZINC000250997738 628945594 /nfs/dbraw/zinc/94/55/94/628945594.db2.gz DDIZBBMDCJATAM-HBNTYKKESA-N 1 0 251.330 2.154 10 0 CEAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000261621480 628949841 /nfs/dbraw/zinc/94/98/41/628949841.db2.gz ABOWRRSODBTRKG-VIFPVBQESA-N 1 0 298.452 2.115 10 0 CEAERO Cc1csc2c1ncnc2N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261662973 628974347 /nfs/dbraw/zinc/97/43/47/628974347.db2.gz ZHPWKKKJFBEQGC-QWRGUYRKSA-N 1 0 274.393 2.188 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)c1cc(C)c(F)cc1Cl ZINC000261715447 629146719 /nfs/dbraw/zinc/14/67/19/629146719.db2.gz KJVCJMJRBGXROL-MRVPVSSYSA-N 1 0 258.724 2.125 10 0 CEAERO COC[C@@]1(C(=O)N[C@H](C)c2ccc(C)cc2C)CC[NH2+]C1 ZINC000261726306 629159381 /nfs/dbraw/zinc/15/93/81/629159381.db2.gz QQCMRRLZNNKVSB-RHSMWYFYSA-N 1 0 290.407 2.107 10 0 CEAERO CCCC[C@@H](CC)C(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC000222585444 629183216 /nfs/dbraw/zinc/18/32/16/629183216.db2.gz DSCOIUCWADWQAW-TZMCWYRMSA-N 1 0 252.402 2.413 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)NC[C@H](O)c1cc2ccccc2s1 ZINC000236961639 629231708 /nfs/dbraw/zinc/23/17/08/629231708.db2.gz KPIOWWZTVPFTJA-NEPJUHHUSA-N 1 0 292.404 2.178 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000261847553 629273988 /nfs/dbraw/zinc/27/39/88/629273988.db2.gz WXWWFMLQMZYXRM-GFCCVEGCSA-N 1 0 278.396 2.087 10 0 CEAERO CCc1ccc([C@@H](C)NC(=O)[C@H]([NH3+])C2CCOCC2)cc1 ZINC000261894065 629305804 /nfs/dbraw/zinc/30/58/04/629305804.db2.gz VWRQGNOKSMSEFF-MLGOLLRUSA-N 1 0 290.407 2.180 10 0 CEAERO CCOc1ccc(CN2C[C@@H](C)[C@@H]([NH3+])C2)cc1F ZINC000261967354 629402279 /nfs/dbraw/zinc/40/22/79/629402279.db2.gz HXNYSXVDIXDRLT-MFKMUULPSA-N 1 0 252.333 2.003 10 0 CEAERO C[C@H](NC(=O)[C@H]1CCC[C@@H]([NH3+])C1)c1nc2ccccc2[nH]1 ZINC000262259434 630496390 /nfs/dbraw/zinc/49/63/90/630496390.db2.gz FWZVAUNKSZCJGB-SDDRHHMPSA-N 1 0 286.379 2.258 10 0 CEAERO Cc1cc2c(NC[C@@H]3[NH2+]CCc4ccccc43)nccn2n1 ZINC000262420238 630820922 /nfs/dbraw/zinc/82/09/22/630820922.db2.gz DYRSTKXZRTXKLS-HNNXBMFYSA-N 1 0 293.374 2.337 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)[C@@]2(C)CCC[NH2+]2)s1 ZINC000079520370 631180051 /nfs/dbraw/zinc/18/00/51/631180051.db2.gz LBVGCQKBRKGSRY-ZWNOBZJWSA-N 1 0 252.383 2.376 10 0 CEAERO C[C@H]1CCC[C@@H](C[NH+]2CCC([N@H+](C)CC(=O)[O-])CC2)C1 ZINC000263524422 631459013 /nfs/dbraw/zinc/45/90/13/631459013.db2.gz SPEXVVXINZSDJD-UONOGXRCSA-N 1 0 282.428 2.294 10 0 CEAERO CON1CCC([NH2+][C@@H]2CCOc3ccccc32)CC1 ZINC000323122771 632286442 /nfs/dbraw/zinc/28/64/42/632286442.db2.gz MACSQEJAMJFATQ-CQSZACIVSA-N 1 0 262.353 2.126 10 0 CEAERO COc1ccccc1[C@@H](C)NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000149324998 636959555 /nfs/dbraw/zinc/95/95/55/636959555.db2.gz XMAPTMRZCKCHDM-DYEKYZERSA-N 1 0 276.380 2.247 10 0 CEAERO 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VAJPDYHTFGIIQR-MNOVXSKESA-N 1 0 296.440 2.440 10 0 CEAERO CCOC[C@H](C)[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000230393713 639756846 /nfs/dbraw/zinc/75/68/46/639756846.db2.gz PZGAXKUDFRZKEG-QWHCGFSZSA-N 1 0 286.416 2.258 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]2CN(c3ccncc3Br)C[C@@H]21 ZINC000231577364 639864070 /nfs/dbraw/zinc/86/40/70/639864070.db2.gz DTCZMJTZOZWVJY-JFGNBEQYSA-N 1 0 296.212 2.408 10 0 CEAERO COc1cc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)ccc1Cl ZINC000232201069 639905361 /nfs/dbraw/zinc/90/53/61/639905361.db2.gz PTUZHFIESBZHTJ-BDAKNGLRSA-N 1 0 268.744 2.415 10 0 CEAERO c1ccc2c(c1)O[C@@H](c1noc([C@H]3CC[NH2+]C3)n1)CS2 ZINC000232460385 639926289 /nfs/dbraw/zinc/92/62/89/639926289.db2.gz TTZBPUYLNSFUNP-GXSJLCMTSA-N 1 0 289.360 2.372 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H](C2CC2)C(C)(C)C)C1 ZINC000323966768 639956192 /nfs/dbraw/zinc/95/61/92/639956192.db2.gz HPOOJCACLSQUTH-KGLIPLIRSA-N 1 0 254.418 2.121 10 0 CEAERO CC(C)(C)[C@H](O)C[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000324566873 640685258 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ZINC000081987930 177913981 /nfs/dbraw/zinc/91/39/81/177913981.db2.gz OKXMWTGHXCUJPY-UHFFFAOYSA-N 1 0 285.409 2.105 10 0 CEAERO Cc1cccc(S(=O)(=O)C[C@H]([NH3+])C(C)(C)C)c1 ZINC000081987063 177914154 /nfs/dbraw/zinc/91/41/54/177914154.db2.gz VEVOQPAJKRLGAF-LBPRGKRZSA-N 1 0 255.383 2.142 10 0 CEAERO C[C@@H]1CC(F)(F)CCN1C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000638630427 370644846 /nfs/dbraw/zinc/64/48/46/370644846.db2.gz MJVGVNGIZONEGR-PWSUYJOCSA-N 1 0 260.328 2.165 10 0 CEAERO CN(C(=O)c1cccc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000082348263 177971987 /nfs/dbraw/zinc/97/19/87/177971987.db2.gz BIRBUQDNWQOLKA-LBPRGKRZSA-N 1 0 297.196 2.273 10 0 CEAERO Nc1cc[nH+]cc1C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000127637663 187322607 /nfs/dbraw/zinc/32/26/07/187322607.db2.gz RXVWLZXPORLUQJ-UHFFFAOYSA-N 1 0 267.210 2.333 10 0 CEAERO CC[NH2+]Cc1sc(-c2cccnc2)nc1COC ZINC000082445424 178022434 /nfs/dbraw/zinc/02/24/34/178022434.db2.gz YZJJYXCUOKCDHP-UHFFFAOYSA-N 1 0 263.366 2.461 10 0 CEAERO CC(C)[NH2+]Cc1sc(CS(C)(=O)=O)nc1C(C)C ZINC000082430243 178008187 /nfs/dbraw/zinc/00/81/87/178008187.db2.gz QHSSVXUIRYPBDT-UHFFFAOYSA-N 1 0 290.454 2.309 10 0 CEAERO COCc1nc(Cc2ccccc2OC)sc1C[NH3+] ZINC000082445216 178022031 /nfs/dbraw/zinc/02/20/31/178022031.db2.gz QANQDOCFOWMNGP-UHFFFAOYSA-N 1 0 278.377 2.348 10 0 CEAERO COCc1nc(N2CCCC2)sc1C[NH2+]C(C)C ZINC000082447126 178025679 /nfs/dbraw/zinc/02/56/79/178025679.db2.gz JGKMEWJLUPZLCW-UHFFFAOYSA-N 1 0 269.414 2.388 10 0 CEAERO COCc1nc(-c2cnccn2)sc1C[NH2+]C(C)C ZINC000082447301 178026780 /nfs/dbraw/zinc/02/67/80/178026780.db2.gz JAEUNUYZNQDIEP-UHFFFAOYSA-N 1 0 278.381 2.245 10 0 CEAERO O[C@]1(Cc2ccccc2Br)CCC[NH2+]C1 ZINC000082462234 178038099 /nfs/dbraw/zinc/03/80/99/178038099.db2.gz XTMCWRAZKPWALV-LBPRGKRZSA-N 1 0 270.170 2.106 10 0 CEAERO CCCOc1cc(NCC[NH+](CC)CC)ncn1 ZINC000082482289 178053387 /nfs/dbraw/zinc/05/33/87/178053387.db2.gz VKCAQWRLYSQQNW-UHFFFAOYSA-N 1 0 252.362 2.019 10 0 CEAERO C[C@@H]([NH2+]C1COC1)c1ccc(Br)cc1 ZINC000082488382 178057425 /nfs/dbraw/zinc/05/74/25/178057425.db2.gz WPGMUMDQSUZECI-MRVPVSSYSA-N 1 0 256.143 2.499 10 0 CEAERO [NH3+]Cc1nccc(-c2ccc(Br)s2)n1 ZINC000082575246 178116337 /nfs/dbraw/zinc/11/63/37/178116337.db2.gz GIKYERBKDWRTSY-UHFFFAOYSA-N 1 0 270.155 2.426 10 0 CEAERO NC(=S)CC[N@H+](CCc1cccs1)C1CC1 ZINC000082602355 178125130 /nfs/dbraw/zinc/12/51/30/178125130.db2.gz QRBYVMKGPLVBDD-UHFFFAOYSA-N 1 0 254.424 2.431 10 0 CEAERO Cc1cc(-n2cc(Br)cn2)ccc1CC[NH3+] ZINC000082612155 178126049 /nfs/dbraw/zinc/12/60/49/178126049.db2.gz FYDTVIHORPBLLD-UHFFFAOYSA-N 1 0 280.169 2.444 10 0 CEAERO COc1ccc(CN2CCC[C@]3(CCC[NH2+]3)C2)cc1 ZINC000095936767 185034180 /nfs/dbraw/zinc/03/41/80/185034180.db2.gz XMVWLYSTZABKHZ-MRXNPFEDSA-N 1 0 260.381 2.413 10 0 CEAERO Cc1noc(C)c1CC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000336284337 365546570 /nfs/dbraw/zinc/54/65/70/365546570.db2.gz GNKIGXBJZRNWBR-ZBFHGGJFSA-N 1 0 278.396 2.461 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2ncc(Br)cn2)C1 ZINC000082661863 178149463 /nfs/dbraw/zinc/14/94/63/178149463.db2.gz UOCRJCKEFYUIHO-SNVBAGLBSA-N 1 0 285.189 2.135 10 0 CEAERO CC(C)[C@H](C[NH+](C)C)Nc1ncc(Br)cn1 ZINC000082662006 178150284 /nfs/dbraw/zinc/15/02/84/178150284.db2.gz AQAYLJRSNIAVPQ-JTQLQIEISA-N 1 0 287.205 2.237 10 0 CEAERO C[C@H]([NH2+]CCc1cccs1)C(=O)N1CCCCC1 ZINC000034936689 361797548 /nfs/dbraw/zinc/79/75/48/361797548.db2.gz SYNXOXGLNLYEEW-LBPRGKRZSA-N 1 0 266.410 2.281 10 0 CEAERO CN1c2ccc([C@H]([NH3+])c3ccccc3F)cc2CC1=O ZINC000034940648 361798325 /nfs/dbraw/zinc/79/83/25/361798325.db2.gz IQKILVDTGPDPHL-INIZCTEOSA-N 1 0 270.307 2.393 10 0 CEAERO CC(C)[C@H]([NH3+])c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000034939125 361798916 /nfs/dbraw/zinc/79/89/16/361798916.db2.gz ZKPKPDLVBOURLE-ZDUSSCGKSA-N 1 0 261.325 2.380 10 0 CEAERO C[C@H](C[NH3+])c1cnc2ccc(Br)cn21 ZINC000033507413 361782501 /nfs/dbraw/zinc/78/25/01/361782501.db2.gz OJVCTVVLNUKLBU-SSDOTTSWSA-N 1 0 254.131 2.159 10 0 CEAERO COc1cc(Cl)c(C(=O)[C@@H]2CCC[NH2+]2)cc1OC ZINC000082724454 178240595 /nfs/dbraw/zinc/24/05/95/178240595.db2.gz KRNBRSHFTUAESJ-JTQLQIEISA-N 1 0 269.728 2.292 10 0 CEAERO CCC[N@@H+]1CCC[C@@]2(C1)c1cc(Cl)cnc1NC2=O ZINC000033995418 361787149 /nfs/dbraw/zinc/78/71/49/361787149.db2.gz MAKZFDMSRISZQJ-CQSZACIVSA-N 1 0 279.771 2.431 10 0 CEAERO CCC[NH+]1CCC(c2nc3c(cccc3C(N)=O)[nH]2)CC1 ZINC000034031449 361787371 /nfs/dbraw/zinc/78/73/71/361787371.db2.gz KXSIHXHEHABEJX-UHFFFAOYSA-N 1 0 286.379 2.251 10 0 in-vivo CEAERO Cc1nc(C[N@@H+]2CC[C@@H]3O[C@@H](C)C[C@H]3C2)cs1 ZINC000096070510 185085111 /nfs/dbraw/zinc/08/51/11/185085111.db2.gz LFMSJVPYSXMGCX-GAFUQQFSSA-N 1 0 252.383 2.451 10 0 CEAERO C[NH+]1CCC2(CC1)c1ccccc1N(CC1CC1)C2=O ZINC000096078914 185090396 /nfs/dbraw/zinc/09/03/96/185090396.db2.gz SCDRGAKWCRVHMN-UHFFFAOYSA-N 1 0 270.376 2.407 10 0 CEAERO CC[NH2+][C@H](CCO)CSc1ncccc1Cl ZINC000082990738 178333366 /nfs/dbraw/zinc/33/33/66/178333366.db2.gz FMSYOKDCDHZHOW-SECBINFHSA-N 1 0 260.790 2.188 10 0 CEAERO C[C@H](C[NH3+])[C@H](O)c1ccc(Br)s1 ZINC000083021738 178334764 /nfs/dbraw/zinc/33/47/64/178334764.db2.gz UKTRNLIZJXLHSV-XRGYYRRGSA-N 1 0 250.161 2.139 10 0 CEAERO C[C@@](O)(C[NH3+])CSc1nc2ccccc2s1 ZINC000082917549 178329354 /nfs/dbraw/zinc/32/93/54/178329354.db2.gz RDFMOVRTDXWTLC-LLVKDONJSA-N 1 0 254.380 2.098 10 0 CEAERO C[C@@](O)(C[NH3+])CCCSc1ccc(Cl)cn1 ZINC000082917628 178329676 /nfs/dbraw/zinc/32/96/76/178329676.db2.gz HIDIJVUJIQUPAX-NSHDSACASA-N 1 0 260.790 2.317 10 0 CEAERO CCN(CC)c1ccc(NC(=O)CSCC[NH3+])cc1 ZINC000096751642 185111721 /nfs/dbraw/zinc/11/17/21/185111721.db2.gz JHIIUQKTYAHSNL-UHFFFAOYSA-N 1 0 281.425 2.163 10 0 CEAERO Cc1[nH+]c(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1N ZINC000036245133 361837295 /nfs/dbraw/zinc/83/72/95/361837295.db2.gz NZULECSKRTWAPX-UHFFFAOYSA-N 1 0 292.383 2.029 10 0 CEAERO FC(F)(F)[C@H]1CC[NH2+]CCN1Cc1ccccc1 ZINC000096897569 185125704 /nfs/dbraw/zinc/12/57/04/185125704.db2.gz WWYQCWIQBWZVDB-GFCCVEGCSA-N 1 0 258.287 2.413 10 0 CEAERO [NH3+]Cc1nc(-c2ccccc2Br)c[nH]1 ZINC000036870955 361865746 /nfs/dbraw/zinc/86/57/46/361865746.db2.gz BDVCRYRLJGWVER-UHFFFAOYSA-N 1 0 252.115 2.298 10 0 CEAERO CCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000036959853 361874507 /nfs/dbraw/zinc/87/45/07/361874507.db2.gz SCQJHLWUZMZZBM-NWDGAFQWSA-N 1 0 294.395 2.269 10 0 CEAERO O=C(Nc1cnc2ccccc2c1)[C@H]1CCC[NH2+]C1 ZINC000037020262 361885884 /nfs/dbraw/zinc/88/58/84/361885884.db2.gz QITYPIOZYRBAJR-LBPRGKRZSA-N 1 0 255.321 2.173 10 0 CEAERO [NH3+]Cc1ccc(C(=O)N[C@@H]2CCOc3ccccc32)cc1 ZINC000037032398 361888713 /nfs/dbraw/zinc/88/87/13/361888713.db2.gz GNAXVHKGZHCUIA-OAHLLOKOSA-N 1 0 282.343 2.399 10 0 CEAERO CC(C)(C)OC(=O)NC[C@@H]1CCC2(CC2)[C@@H]([NH3+])C1 ZINC000096958508 185141631 /nfs/dbraw/zinc/14/16/31/185141631.db2.gz FRFKAUJXCKDLFJ-MNOVXSKESA-N 1 0 254.374 2.419 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[NH2+][C@@H]2CCC[C@H]2C1 ZINC000096958498 185141876 /nfs/dbraw/zinc/14/18/76/185141876.db2.gz HJOHSKHVVDVSMK-NWDGAFQWSA-N 1 0 254.374 2.386 10 0 CEAERO Fc1ccc(Cl)cc1-n1cncc1C1C[NH2+]C1 ZINC000097007252 185150553 /nfs/dbraw/zinc/15/05/53/185150553.db2.gz LXGZQHFLFFSIJT-UHFFFAOYSA-N 1 0 251.692 2.352 10 0 CEAERO [NH3+]CC1CCC(C(=O)NC[C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000097031660 185155371 /nfs/dbraw/zinc/15/53/71/185155371.db2.gz JEFGARGOELVUAK-FWJBWGTRSA-N 1 0 264.413 2.304 10 0 CEAERO CC[C@@H]1CN(Cc2sc(C)nc2C)CC[N@@H+]1CCOC ZINC000172791720 529399643 /nfs/dbraw/zinc/39/96/43/529399643.db2.gz OMUZYMPAKKRNCF-CQSZACIVSA-N 1 0 297.468 2.303 10 0 CEAERO c1cn(C[C@@H]2CCC[N@@H+]2Cc2ccc3c[nH]nc3c2)cn1 ZINC000188398536 539178962 /nfs/dbraw/zinc/17/89/62/539178962.db2.gz RXVLMBGZMNLDFS-HNNXBMFYSA-N 1 0 281.363 2.424 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]CC(C(C)C)C(C)C)C1 ZINC000229554101 539167160 /nfs/dbraw/zinc/16/71/60/539167160.db2.gz PKOCWOFIXDNIRH-AWEZNQCLSA-N 1 0 256.434 2.225 10 0 CEAERO CCC[C@@H](C(=O)Nc1cnc(C2CC2)nc1)[NH+](C)C ZINC000130221199 539180955 /nfs/dbraw/zinc/18/09/55/539180955.db2.gz XFOTZBAHQBEOBV-LBPRGKRZSA-N 1 0 262.357 2.023 10 0 CEAERO CC[C@]1(N)C[NH2+]C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000725262794 539211681 /nfs/dbraw/zinc/21/16/81/539211681.db2.gz QVGLTCVDVABRDZ-RYUDHWBXSA-N 1 0 258.287 2.500 10 0 CEAERO CCCNC(=O)N1c2ccccc2CCC[C@H]1C[NH3+] ZINC000725262940 539211850 /nfs/dbraw/zinc/21/18/50/539211850.db2.gz USQVHQSUCJHCDU-ZDUSSCGKSA-N 1 0 261.369 2.276 10 0 CEAERO CC(C)CC(=O)N1CCC[C@H]([C@@]23CC[C@H]2CC[NH2+]3)C1 ZINC000725263677 539212379 /nfs/dbraw/zinc/21/23/79/539212379.db2.gz ZIENZEZENGCJCC-OFQRWUPVSA-N 1 0 264.413 2.413 10 0 CEAERO CC1(C(=O)N2CCC[C@H]([C@@]34CC[C@@H]3CC[NH2+]4)C2)CC1 ZINC000725263661 539212392 /nfs/dbraw/zinc/21/23/92/539212392.db2.gz YZMVFKTXFNHJJI-DVOMOZLQSA-N 1 0 262.397 2.167 10 0 CEAERO CCCS(=O)(=O)[C@@H]1CC[C@@H](C(C)C)C[C@@H]1[NH2+]C ZINC000725265959 539213352 /nfs/dbraw/zinc/21/33/52/539213352.db2.gz ADAGLHOACKGWIP-FRRDWIJNSA-N 1 0 261.431 2.224 10 0 CEAERO CCC[C@H]1C[C@H]2CC[C@@H]([NH+]3CCOCC3)[C@@H](C1)C2=O ZINC000725268122 539214067 /nfs/dbraw/zinc/21/40/67/539214067.db2.gz ABALYXMNAXJHQG-GBJTYRQASA-N 1 0 265.397 2.493 10 0 CEAERO C[C@@H](C(=O)N1C[C@H](C)OC2(CC[NH2+]CC2)C1)C(C)(C)C ZINC000725272993 539215810 /nfs/dbraw/zinc/21/58/10/539215810.db2.gz XAEIMVAOZPVAGA-STQMWFEESA-N 1 0 282.428 2.038 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)C1 ZINC000219540152 539251975 /nfs/dbraw/zinc/25/19/75/539251975.db2.gz KDHGUQKPOLDSOY-LXTVHRRPSA-N 1 0 254.418 2.121 10 0 CEAERO CCC[C@H](C(=O)NCC[C@@H](OCC)C(C)C)[NH+](C)C ZINC000126713018 365722130 /nfs/dbraw/zinc/72/21/30/365722130.db2.gz GQVIRTORANHAOP-ZIAGYGMSSA-N 1 0 272.433 2.284 10 0 CEAERO [NH3+]CC1(CCNc2ccc(C(F)(F)F)cn2)CC1 ZINC000395861412 539293384 /nfs/dbraw/zinc/29/33/84/539293384.db2.gz DHOSFRSUWWROFS-UHFFFAOYSA-N 1 0 259.275 2.063 10 0 CEAERO CC[C@@H]([NH3+])[C@H](O)c1ccc(Br)s1 ZINC000043265233 362141439 /nfs/dbraw/zinc/14/14/39/362141439.db2.gz CISSCPVXUQTPAM-XRGYYRRGSA-N 1 0 250.161 2.281 10 0 CEAERO CC[NH+](CC)CCNC(=O)N[C@@H]1CCOc2ccccc21 ZINC000045544469 362162195 /nfs/dbraw/zinc/16/21/95/362162195.db2.gz IWXMIIJIKOATEQ-CQSZACIVSA-N 1 0 291.395 2.151 10 0 CEAERO O=C1Cc2c(cccc2OCC[NH2+]Cc2ccccc2)N1 ZINC000001903144 343351806 /nfs/dbraw/zinc/35/18/06/343351806.db2.gz CVWQKEFTSSJDLS-UHFFFAOYSA-N 1 0 282.343 2.350 10 0 in-vivo CEAERO COc1ccc(CC[C@@H](O)[C@@H]2CCC[N@@H+]2C)c(OC)c1 ZINC000036431996 343423789 /nfs/dbraw/zinc/42/37/89/343423789.db2.gz KENRXKRYFIDJRD-LSDHHAIUSA-N 1 0 279.380 2.092 10 0 CEAERO Nc1c[nH+]ccc1NCCc1ccc2c(c1)OCCO2 ZINC000034939577 343421393 /nfs/dbraw/zinc/42/13/93/343421393.db2.gz YSNRDASQPCBXTH-UHFFFAOYSA-N 1 0 271.320 2.090 10 0 CEAERO C[C@@H]([NH2+]Cc1cnc2ccccc2n1)[C@@H]1CCCO1 ZINC000037242471 343426083 /nfs/dbraw/zinc/42/60/83/343426083.db2.gz ROWDGWUBARXETF-ABAIWWIYSA-N 1 0 257.337 2.287 10 0 CEAERO C[C@@H]([NH2+]Cc1cnc2ccccc2n1)[C@H]1CCCO1 ZINC000037242475 343426690 /nfs/dbraw/zinc/42/66/90/343426690.db2.gz ROWDGWUBARXETF-IAQYHMDHSA-N 1 0 257.337 2.287 10 0 CEAERO CC(C)CNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000047617404 362217489 /nfs/dbraw/zinc/21/74/89/362217489.db2.gz QWQFTCSNAQPKOE-AWEZNQCLSA-N 1 0 263.385 2.245 10 0 CEAERO [NH3+]C[C@H]1CC(c2ccc(-c3ccncc3)cc2)=NO1 ZINC000038256223 343433547 /nfs/dbraw/zinc/43/35/47/343433547.db2.gz SWKKHVVUYJZLLK-CQSZACIVSA-N 1 0 253.305 2.200 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(Br)cc2)C1 ZINC000071140006 282263825 /nfs/dbraw/zinc/26/38/25/282263825.db2.gz ZNWTXAOXSUKMEX-LBPRGKRZSA-N 1 0 297.196 2.225 10 0 CEAERO C[C@H](O)CN1CC[N@H+](CC(C)(C)c2ccccc2)C[C@H]1C ZINC000245851987 539313162 /nfs/dbraw/zinc/31/31/62/539313162.db2.gz MONJIIYXEASIQT-CVEARBPZSA-N 1 0 290.451 2.351 10 0 CEAERO CCOc1ccc([C@H](C)NC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000227795649 539321695 /nfs/dbraw/zinc/32/16/95/539321695.db2.gz PSKXFMCOEDCIHK-FPMFFAJLSA-N 1 0 276.380 2.390 10 0 CEAERO O[C@H](C[NH2+]Cc1ccc(F)cc1F)COCc1ccco1 ZINC000051017448 343547539 /nfs/dbraw/zinc/54/75/39/343547539.db2.gz ZQXOGSRVLFSGQD-CYBMUJFWSA-N 1 0 297.301 2.225 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2[C@H](C)CC[C@@H]2C)C1 ZINC000128075383 365774698 /nfs/dbraw/zinc/77/46/98/365774698.db2.gz DTUJKXRJCZACAO-XQQFMLRXSA-N 1 0 253.390 2.053 10 0 CEAERO CO[C@H](C)C[N@H+](C[C@H](O)COCc1ccccc1)C(C)C ZINC000336716382 365780669 /nfs/dbraw/zinc/78/06/69/365780669.db2.gz PEDNUPVSKMTQTJ-WBVHZDCISA-N 1 0 295.423 2.309 10 0 CEAERO OC1(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)CCC1 ZINC000336722268 365786754 /nfs/dbraw/zinc/78/67/54/365786754.db2.gz VPHXQYCXYHUYMO-INIZCTEOSA-N 1 0 275.392 2.440 10 0 CEAERO [NH3+]CC(=O)Nc1ccccc1C(=O)c1ccccc1Cl ZINC000062724059 343672526 /nfs/dbraw/zinc/67/25/26/343672526.db2.gz KNXWMCSLYKQNSX-UHFFFAOYSA-N 1 0 288.734 2.468 10 0 CEAERO [NH3+]C[C@@H](O)c1ccc(Br)c(Br)c1 ZINC000059700502 343653825 /nfs/dbraw/zinc/65/38/25/343653825.db2.gz MSKFSYJTGNEMED-MRVPVSSYSA-N 1 0 294.974 2.204 10 0 CEAERO [NH3+]C[C@H](O)c1ccc(Br)c(Br)c1 ZINC000059700503 343653995 /nfs/dbraw/zinc/65/39/95/343653995.db2.gz MSKFSYJTGNEMED-QMMMGPOBSA-N 1 0 294.974 2.204 10 0 CEAERO COc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)c(F)c1 ZINC000228598621 539349951 /nfs/dbraw/zinc/34/99/51/539349951.db2.gz ZUTOVYOPKVBLNN-WFASDCNBSA-N 1 0 267.344 2.475 10 0 CEAERO CC(C)[C@@H]1CN(Cc2ccc3c(c2)OCO3)[C@@H](C)C[NH2+]1 ZINC000083548459 178576906 /nfs/dbraw/zinc/57/69/06/178576906.db2.gz UTJYXVNWQFUWRG-JSGCOSHPSA-N 1 0 276.380 2.234 10 0 CEAERO C[C@H]1C[C@H]1NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000076073264 343878815 /nfs/dbraw/zinc/87/88/15/343878815.db2.gz PSJSOOAWUQWMQO-LJISPDSOSA-N 1 0 281.444 2.452 10 0 CEAERO [NH3+]C[C@@H]1CCCN1Cc1coc(-c2ccc(F)cc2)n1 ZINC000128170453 187355550 /nfs/dbraw/zinc/35/55/50/187355550.db2.gz QGKHEPFGGVPMRO-AWEZNQCLSA-N 1 0 275.327 2.404 10 0 CEAERO Cc1cc(NCc2ncnn2C)c2ccccc2[nH+]1 ZINC000078677099 343961372 /nfs/dbraw/zinc/96/13/72/343961372.db2.gz NSPGYXRUXDORLF-UHFFFAOYSA-N 1 0 253.309 2.284 10 0 CEAERO COc1ccc2[nH+]c(C)cc(NN3CCOCC3)c2c1 ZINC000100680660 344247904 /nfs/dbraw/zinc/24/79/04/344247904.db2.gz FTXJGJXGGDSEGT-UHFFFAOYSA-N 1 0 273.336 2.211 10 0 CEAERO [NH2+]=C1N[C@@H](Cc2ccc(C(=O)Nc3ccccc3)cc2)CO1 ZINC000117022238 344287938 /nfs/dbraw/zinc/28/79/38/344287938.db2.gz OQBPCHPBKCDVOU-HNNXBMFYSA-N 1 0 295.342 2.195 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1nc(C)cc(C)n1 ZINC000128045898 344333250 /nfs/dbraw/zinc/33/32/50/344333250.db2.gz NKBKIJMWMNJJLN-UONOGXRCSA-N 1 0 260.385 2.156 10 0 CEAERO Cc1ccc(Cl)cc1NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129593393 344344947 /nfs/dbraw/zinc/34/49/47/344344947.db2.gz AYGXXXXFVZFCJB-UHFFFAOYSA-N 1 0 295.814 2.271 10 0 CEAERO C[C@@H](c1ccc(Br)o1)N1CC[C@H]([NH3+])C1 ZINC000131811717 344360405 /nfs/dbraw/zinc/36/04/05/344360405.db2.gz MBZQGSLDZOXJJW-YUMQZZPRSA-N 1 0 259.147 2.136 10 0 CEAERO COC(=O)c1ccc(N[C@@H]2CCCC[C@H]2C[NH3+])nc1C ZINC000147687751 344412835 /nfs/dbraw/zinc/41/28/35/344412835.db2.gz YVXLGVWIMLDMFD-WCQYABFASA-N 1 0 277.368 2.106 10 0 CEAERO Clc1cnc(O[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000162860701 344468718 /nfs/dbraw/zinc/46/87/18/344468718.db2.gz ADYKKSFMYQCDMX-ZETCQYMHSA-N 1 0 277.549 2.238 10 0 CEAERO Cc1cnc(N[C@@H](C)CC[NH3+])c(Br)c1 ZINC000163554469 344470530 /nfs/dbraw/zinc/47/05/30/344470530.db2.gz VATWYASBEGLEHB-QMMMGPOBSA-N 1 0 258.163 2.302 10 0 CEAERO CNc1ncc(Br)cc1C[NH2+]C1CC1 ZINC000166302505 344475971 /nfs/dbraw/zinc/47/59/71/344475971.db2.gz CBRYMFIEHPOQKV-UHFFFAOYSA-N 1 0 256.147 2.138 10 0 CEAERO CC(C)(C)OC(=O)N[C@@H]1[C@H]([NH3+])CCCC1(F)F ZINC000166522007 344476569 /nfs/dbraw/zinc/47/65/69/344476569.db2.gz KYRXOCVGTONVGN-HTQZYQBOSA-N 1 0 250.289 2.026 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]2CN(c3ncnc4ccccc43)C[C@@H]21 ZINC000230134974 344571003 /nfs/dbraw/zinc/57/10/03/344571003.db2.gz RCNNHXSCGQIFEJ-FPMFFAJLSA-N 1 0 268.364 2.193 10 0 CEAERO C[C@@H](Nc1ncnc2ccsc21)[C@@H]1CCC[NH2+]C1 ZINC000050163934 362407106 /nfs/dbraw/zinc/40/71/06/362407106.db2.gz UFRLTLGIJPCTQR-NXEZZACHSA-N 1 0 262.382 2.491 10 0 CEAERO CC(C)(C)OC(=O)[C@H]1CCN(Cc2ccccc2)[C@@H]1C[NH3+] ZINC000204935533 344528137 /nfs/dbraw/zinc/52/81/37/344528137.db2.gz IOAGBFOCXFRONA-LSDHHAIUSA-N 1 0 290.407 2.178 10 0 CEAERO [NH3+]C1(C(=O)Cc2cc(F)ccc2Br)CC1 ZINC000226434097 344549729 /nfs/dbraw/zinc/54/97/29/344549729.db2.gz CATJKBDVJUPLRA-UHFFFAOYSA-N 1 0 272.117 2.191 10 0 CEAERO CN(C(=O)CC1=CCCCC1)[C@H]1CCC[NH2+]CC1 ZINC000226458460 344550271 /nfs/dbraw/zinc/55/02/71/344550271.db2.gz GQKVKGFNGKLTOM-AWEZNQCLSA-N 1 0 250.386 2.477 10 0 CEAERO Cc1ccc(CC(=O)N(C)[C@H]2CCC[NH2+]CC2)cc1C ZINC000231473437 344575262 /nfs/dbraw/zinc/57/52/62/344575262.db2.gz CQNDZFFESWKUCS-INIZCTEOSA-N 1 0 274.408 2.446 10 0 CEAERO CC(C)c1ccc([C@@H](O)C[NH+]2CCC(O)CC2)cc1 ZINC000051590139 362432921 /nfs/dbraw/zinc/43/29/21/362432921.db2.gz MKNZPHXJCCHAEB-INIZCTEOSA-N 1 0 263.381 2.300 10 0 CEAERO NC(=[NH2+])Nc1cc(F)c(Br)cc1F ZINC000232184787 344576888 /nfs/dbraw/zinc/57/68/88/344576888.db2.gz LHBBXYCNWOHZKU-UHFFFAOYSA-N 1 0 250.046 2.033 10 0 CEAERO CCOC(=O)C[C@@H](O)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000234009260 344583069 /nfs/dbraw/zinc/58/30/69/344583069.db2.gz JGSZMUGBTAMAHX-GXFFZTMASA-N 1 0 285.771 2.305 10 0 CEAERO C[NH2+]Cc1ccc(F)cc1I ZINC000234386295 344584450 /nfs/dbraw/zinc/58/44/50/344584450.db2.gz OCKCKFUCBHQAPU-UHFFFAOYSA-N 1 0 265.069 2.150 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCCNC1=O)c1ccc2c(c1)CCC2 ZINC000050394782 362418027 /nfs/dbraw/zinc/41/80/27/362418027.db2.gz KNANDIWNJCPKST-XHDPSFHLSA-N 1 0 258.365 2.105 10 0 CEAERO Cc1ccccc1OCC[N@@H+](C)C[C@@H](O)COC(C)(C)C ZINC000052816307 362475528 /nfs/dbraw/zinc/47/55/28/362475528.db2.gz NIMZIBUOMZYWEH-OAHLLOKOSA-N 1 0 295.423 2.482 10 0 CEAERO [NH3+]C[C@H]1CCCN1C(=O)CCOc1cccc(Cl)c1 ZINC000238032801 344605429 /nfs/dbraw/zinc/60/54/29/344605429.db2.gz JBTJIQCGITZBDU-GFCCVEGCSA-N 1 0 282.771 2.059 10 0 CEAERO [NH3+][C@H](CO)c1ccc(Br)cc1Br ZINC000238566912 344606593 /nfs/dbraw/zinc/60/65/93/344606593.db2.gz COYKEBHYYIQZEZ-MRVPVSSYSA-N 1 0 294.974 2.204 10 0 CEAERO CCO[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1(C)C ZINC000262280776 344654317 /nfs/dbraw/zinc/65/43/17/344654317.db2.gz KVRKOFSNQLCBEL-RFQIPJPRSA-N 1 0 282.428 2.166 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC=C(C)C ZINC000250401141 344633196 /nfs/dbraw/zinc/63/31/96/344633196.db2.gz LTXDGZNLZOLXRP-KGLIPLIRSA-N 1 0 265.401 2.221 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@H](C)c2cc(F)ccc2F)C1 ZINC000252968200 344643053 /nfs/dbraw/zinc/64/30/53/344643053.db2.gz UYLKLBHGTUVDSM-YPMHNXCESA-N 1 0 284.350 2.336 10 0 CEAERO [NH3+][C@@H](c1cn[nH]c1)c1sccc1Br ZINC000307340030 344721889 /nfs/dbraw/zinc/72/18/89/344721889.db2.gz SNQUBNUKVNQHQM-ZETCQYMHSA-N 1 0 258.144 2.282 10 0 CEAERO [NH3+][C@H]1CCO[C@H]1c1cccc(I)c1 ZINC000307436651 344722703 /nfs/dbraw/zinc/72/27/03/344722703.db2.gz RGSGCTOLOKXPJU-UWVGGRQHSA-N 1 0 289.116 2.080 10 0 CEAERO CS[C@@H]1CCC[C@@H](NC(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000300641023 344701108 /nfs/dbraw/zinc/70/11/08/344701108.db2.gz CFTZSGWFKCVUCZ-JHJVBQTASA-N 1 0 270.442 2.167 10 0 CEAERO CN(C(=O)C(C1CC1)C1CC1)[C@H]1CCC[NH2+]CC1 ZINC000306109906 344711996 /nfs/dbraw/zinc/71/19/96/344711996.db2.gz SYGKWOWMODNLDN-ZDUSSCGKSA-N 1 0 250.386 2.023 10 0 CEAERO Cc1sc([C@@H](O)C2C[NH2+]C2)cc1Br ZINC000306394087 344713266 /nfs/dbraw/zinc/71/32/66/344713266.db2.gz LEMUTHDTHKCRGE-VIFPVBQESA-N 1 0 262.172 2.072 10 0 CEAERO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1C[C@H]1CCC[C@@H](O)C1 ZINC000380641146 344823472 /nfs/dbraw/zinc/82/34/72/344823472.db2.gz NBKAFFFQZAKSMC-BFHYXJOUSA-N 1 0 283.412 2.344 10 0 CEAERO COc1cc(NCC2([NH3+])CCC2)c([N+](=O)[O-])cc1C ZINC000381786666 344825297 /nfs/dbraw/zinc/82/52/97/344825297.db2.gz ZIQPRWCJWTUAAM-UHFFFAOYSA-N 1 0 265.313 2.205 10 0 CEAERO CC1(C)CCC([NH2+][C@@H]2CCCN(CCO)C2)CC1 ZINC000384654643 344829107 /nfs/dbraw/zinc/82/91/07/344829107.db2.gz ZELYCRHQLSDDQZ-CQSZACIVSA-N 1 0 254.418 2.002 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@H]2CC3CCC2CC3)C1 ZINC000400185469 344861313 /nfs/dbraw/zinc/86/13/13/344861313.db2.gz WPFSUMMOGXSJQT-YTPFDHIKSA-N 1 0 250.386 2.056 10 0 CEAERO Cc1cc(C#N)ccc1C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398974435 344856109 /nfs/dbraw/zinc/85/61/09/344856109.db2.gz BYDXJEYTTLTVOR-ULQDDVLXSA-N 1 0 270.376 2.460 10 0 CEAERO CC[C@H]([NH2+]C1CCN(CCO)CC1)c1ccccc1 ZINC000399116525 344857266 /nfs/dbraw/zinc/85/72/66/344857266.db2.gz MVQJUSYSGZDOOL-INIZCTEOSA-N 1 0 262.397 2.184 10 0 CEAERO Cc1cccc(N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1[N+](=O)[O-] ZINC000394243026 344842084 /nfs/dbraw/zinc/84/20/84/344842084.db2.gz VFHGKMSKPWXAHM-WFASDCNBSA-N 1 0 275.352 2.468 10 0 CEAERO Cc1cnc(CC[N@@H+]2CCC[C@H]2CCCO)c(C)c1 ZINC000401106119 344866689 /nfs/dbraw/zinc/86/66/89/344866689.db2.gz GZBDDAXWBHGUCM-HNNXBMFYSA-N 1 0 262.397 2.478 10 0 CEAERO CC[C@H](C[NH2+]CC1(O)CCOCC1)CC(F)(F)F ZINC000402548742 344872989 /nfs/dbraw/zinc/87/29/89/344872989.db2.gz FJTOFOZWYFDQRX-JTQLQIEISA-N 1 0 269.307 2.096 10 0 CEAERO C[NH2+][C@@H](C)CC[S@](=O)c1ccc2c(c1)CCC2 ZINC000084031072 178773371 /nfs/dbraw/zinc/77/33/71/178773371.db2.gz JMRQDRAGCYTNTM-APPDUMDISA-N 1 0 251.395 2.281 10 0 CEAERO CCC[S@](=O)Cc1cc([C@@H](C)[NH3+])ccc1OC ZINC000084009709 178771580 /nfs/dbraw/zinc/77/15/80/178771580.db2.gz OFGVWEGIFYSAPI-BMLIUANNSA-N 1 0 255.383 2.374 10 0 CEAERO C[NH2+][C@@H](C[S@@](=O)CCOC)c1ccc2ccccc2c1 ZINC000084036340 178775608 /nfs/dbraw/zinc/77/56/08/178775608.db2.gz WEIBWXNYCQWNJU-OXJNMPFZSA-N 1 0 291.416 2.495 10 0 CEAERO COc1ccc(C[C@H]([NH3+])C(=O)NC2CCCCC2)cc1 ZINC000584595899 344961088 /nfs/dbraw/zinc/96/10/88/344961088.db2.gz JRQZKBNSRFVVDP-HNNXBMFYSA-N 1 0 276.380 2.014 10 0 CEAERO C[NH+](C)CC[C@](O)(Cc1ccccc1)c1ccccn1 ZINC000584629164 344969203 /nfs/dbraw/zinc/96/92/03/344969203.db2.gz JTZCNJNITXCMRR-KRWDZBQOSA-N 1 0 270.376 2.464 10 0 CEAERO CSCCc1nnc(CC[NH2+]C(C)(C)C)s1 ZINC000084121363 178797263 /nfs/dbraw/zinc/79/72/63/178797263.db2.gz OHFFCDNCBPGXKD-UHFFFAOYSA-N 1 0 259.444 2.374 10 0 CEAERO C[C@@H]([NH3+])c1cccc(SCC(=O)NCC(F)(F)F)c1 ZINC000084122517 178797493 /nfs/dbraw/zinc/79/74/93/178797493.db2.gz SWOJLQYVMZVADH-MRVPVSSYSA-N 1 0 292.326 2.477 10 0 CEAERO [NH3+]C1(Cc2nc(-c3ccc(O)cc3)no2)CCCC1 ZINC000084143952 178801536 /nfs/dbraw/zinc/80/15/36/178801536.db2.gz VXDWHQUPLHJETI-UHFFFAOYSA-N 1 0 259.309 2.256 10 0 CEAERO C[NH2+]C[C@@H]1CCCN1c1nc2ccccc2nc1C ZINC000053703932 362498234 /nfs/dbraw/zinc/49/82/34/362498234.db2.gz ROBYEXVTZDSIJM-LBPRGKRZSA-N 1 0 256.353 2.126 10 0 CEAERO [NH3+]C1(CC(=O)Nc2ccc3c(c2)OCO3)CCCC1 ZINC000084163410 178811084 /nfs/dbraw/zinc/81/10/84/178811084.db2.gz QHRFHMDMDFTBNE-UHFFFAOYSA-N 1 0 262.309 2.015 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1cccc(-n2cccn2)c1 ZINC000054306365 362525563 /nfs/dbraw/zinc/52/55/63/362525563.db2.gz LUSTYRADLMQXMJ-CYBMUJFWSA-N 1 0 284.363 2.201 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)NCc1nc2ccccc2s1 ZINC000054308684 362526287 /nfs/dbraw/zinc/52/62/87/362526287.db2.gz GGHWMJXWMHCUMI-NSHDSACASA-N 1 0 289.404 2.302 10 0 CEAERO [NH3+]C1(CC(=O)N(Cc2cccnc2)C2CC2)CCCC1 ZINC000084170115 178813634 /nfs/dbraw/zinc/81/36/34/178813634.db2.gz JBFWPELCDNZNIX-UHFFFAOYSA-N 1 0 273.380 2.234 10 0 CEAERO CC[NH2+][C@H](C)CCc1c(Br)c(C)nn1C ZINC000084271609 178838329 /nfs/dbraw/zinc/83/83/29/178838329.db2.gz YMDBBKFBVJRWQM-MRVPVSSYSA-N 1 0 274.206 2.422 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](c2nc(-c3ccc4nccnc4c3)no2)C1 ZINC000097068410 185520895 /nfs/dbraw/zinc/52/08/95/185520895.db2.gz HFIILAOHUXCRCN-GHMZBOCLSA-N 1 0 281.319 2.275 10 0 CEAERO CCO[C@H](C[NH3+])CCS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000084267512 178834946 /nfs/dbraw/zinc/83/49/46/178834946.db2.gz XIOIFSDSOUEZJI-AWEZNQCLSA-N 1 0 299.436 2.338 10 0 CEAERO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000084267929 178835008 /nfs/dbraw/zinc/83/50/08/178835008.db2.gz IBVCWUYVKHPLLH-GXTWGEPZSA-N 1 0 267.394 2.286 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)CSCc1ccc(F)cc1 ZINC000591583176 345266680 /nfs/dbraw/zinc/26/66/80/345266680.db2.gz IRKQNQLWDCXXBG-ZWNOBZJWSA-N 1 0 282.384 2.007 10 0 CEAERO CCSC[C@@H]([NH3+])Cc1c(Cl)c(C)nn1CC ZINC000084279544 178842045 /nfs/dbraw/zinc/84/20/45/178842045.db2.gz HEKGOGAMYUVAHD-VIFPVBQESA-N 1 0 261.822 2.488 10 0 CEAERO CCn1nc(C)c(Br)c1C[C@@H](C)[C@@H](C)[NH3+] ZINC000084278774 178842098 /nfs/dbraw/zinc/84/20/98/178842098.db2.gz RKZCOMIJBNKNFX-HTQZYQBOSA-N 1 0 274.206 2.500 10 0 CEAERO [NH3+][C@@H]1CC[C@H](Sc2nnc(C3CC3)n2C2CC2)C1 ZINC000084435169 178888522 /nfs/dbraw/zinc/88/85/22/178888522.db2.gz IUQUFTAZZRRXMX-KOLCDFICSA-N 1 0 264.398 2.462 10 0 CEAERO Cc1cc(-c2nnc(C[N@@H+]3CC[C@@H](CCO)C3)o2)c(C)o1 ZINC000125872991 232209148 /nfs/dbraw/zinc/20/91/48/232209148.db2.gz WUANIOQNNNBKJW-LBPRGKRZSA-N 1 0 291.351 2.151 10 0 CEAERO [NH3+][C@H]1CCC[C@@H](S(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000084430118 178885717 /nfs/dbraw/zinc/88/57/17/178885717.db2.gz FYGZHRVMJYMFBH-DTWKUNHWSA-N 1 0 275.320 2.008 10 0 CEAERO Cc1cccc(S(=O)(=O)[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000084430389 178886025 /nfs/dbraw/zinc/88/60/25/178886025.db2.gz ASQVCQPCDCDURB-AAEUAGOBSA-N 1 0 253.367 2.039 10 0 CEAERO CCC[NH2+][C@@H]1CC[C@@H](S(=O)(=O)c2ccc(OC)cc2)C1 ZINC000084433229 178887233 /nfs/dbraw/zinc/88/72/33/178887233.db2.gz QRQIQIMMTVDLFY-IUODEOHRSA-N 1 0 297.420 2.390 10 0 CEAERO C[NH+](C)C[C@@H](NC(=O)c1cccc(F)n1)c1ccccc1 ZINC000127463866 187308319 /nfs/dbraw/zinc/30/83/19/187308319.db2.gz CPWZKGSWMQRAHX-CQSZACIVSA-N 1 0 287.338 2.253 10 0 CEAERO [NH3+]Cc1ncc(-c2ccccc2Br)cn1 ZINC000084630149 178906505 /nfs/dbraw/zinc/90/65/05/178906505.db2.gz DHZBDMOLIKUUGB-UHFFFAOYSA-N 1 0 264.126 2.365 10 0 CEAERO CC[NH2+]C[C@](C)(O)Cc1ccc(OC(F)(F)F)cc1 ZINC000097209998 185565028 /nfs/dbraw/zinc/56/50/28/185565028.db2.gz PFSLKELFOBTRRG-GFCCVEGCSA-N 1 0 277.286 2.488 10 0 CEAERO CCC[NH2+][C@@H](Cc1cc(C)nn1C)c1cnn(C)c1C ZINC000097273142 185575146 /nfs/dbraw/zinc/57/51/46/185575146.db2.gz KEOXLZRNEDJPHO-HNNXBMFYSA-N 1 0 275.400 2.054 10 0 CEAERO OC[C@@]1(Cc2ccccc2Br)CCC[NH2+]C1 ZINC000084684243 178913605 /nfs/dbraw/zinc/91/36/05/178913605.db2.gz QOFAZXRMYRVUSQ-CYBMUJFWSA-N 1 0 284.197 2.354 10 0 CEAERO CC(=O)c1ccc(N2C[C@H](O)C[C@@H]2C[NH+](C)C)cc1Cl ZINC000097246425 185572789 /nfs/dbraw/zinc/57/27/89/185572789.db2.gz OITDHPOYQVMQKE-CHWSQXEVSA-N 1 0 296.798 2.044 10 0 CEAERO CCCn1ncnc1C[C@H]([NH2+]C)[C@@]1(C)CCCS1 ZINC000097282064 185579049 /nfs/dbraw/zinc/57/90/49/185579049.db2.gz NEFQJJMACNWTPK-WCQYABFASA-N 1 0 268.430 2.104 10 0 CEAERO CC[NH2+][C@@H](Cc1ncnn1C(C)C)C[C@H](C)COC ZINC000097277468 185576364 /nfs/dbraw/zinc/57/63/64/185576364.db2.gz KLDWDNQUXHKTNN-QWHCGFSZSA-N 1 0 268.405 2.052 10 0 CEAERO CC[NH2+][C@@H](Cc1ncnn1C(C)C)[C@H]1CCSC1 ZINC000097277538 185576669 /nfs/dbraw/zinc/57/66/69/185576669.db2.gz ISLJTEMYZBFAAQ-RYUDHWBXSA-N 1 0 268.430 2.133 10 0 CEAERO CCc1cc(C[C@H](CCc2ccccn2)[NH2+]C)n(C)n1 ZINC000097277025 185577267 /nfs/dbraw/zinc/57/72/67/185577267.db2.gz MWXVFTKHZQONEU-HNNXBMFYSA-N 1 0 272.396 2.141 10 0 CEAERO CCCn1ncnc1C[C@H]([NH2+]C)c1snnc1C(C)C ZINC000097282058 185578692 /nfs/dbraw/zinc/57/86/92/185578692.db2.gz YAZSJHIUSHRQAY-JTQLQIEISA-N 1 0 294.428 2.166 10 0 CEAERO [NH3+]CCc1ccnc(CSc2cccc(F)c2)n1 ZINC000097328634 185585987 /nfs/dbraw/zinc/58/59/87/185585987.db2.gz GIOLQCIHSRSFPU-UHFFFAOYSA-N 1 0 263.341 2.409 10 0 CEAERO Cc1cccc(OCC[N@@H+]2CCC[C@H](n3cncn3)C2)c1 ZINC000171704833 232269809 /nfs/dbraw/zinc/26/98/09/232269809.db2.gz TYKZBBJWLIITBT-HNNXBMFYSA-N 1 0 286.379 2.302 10 0 CEAERO CC(C)([NH3+])CC(=O)NC1CCC(C(F)(F)F)CC1 ZINC000084168288 539499862 /nfs/dbraw/zinc/49/98/62/539499862.db2.gz DNWADHNTFPLNLR-UHFFFAOYSA-N 1 0 266.307 2.351 10 0 CEAERO COc1ccc(C[C@@](C)(CCO)C(C)(C)[NH3+])cc1OC ZINC000097434587 185602803 /nfs/dbraw/zinc/60/28/03/185602803.db2.gz LWOXVDCOVUYIGK-MRXNPFEDSA-N 1 0 281.396 2.372 10 0 CEAERO CC(C)Oc1ccc([C@@](C)(CCO)[C@@H](C)[NH3+])cc1 ZINC000097435086 185602861 /nfs/dbraw/zinc/60/28/61/185602861.db2.gz UIQXFQRBUBGGPR-DOMZBBRYSA-N 1 0 251.370 2.461 10 0 CEAERO CC(C)([NH3+])[C@@H](CCO)c1ccc2c(c1)OCCCO2 ZINC000097434548 185602993 /nfs/dbraw/zinc/60/29/93/185602993.db2.gz HAUZKPATDBXEBA-LBPRGKRZSA-N 1 0 265.353 2.051 10 0 CEAERO CCC[C@@H]1C[C@](CC(=O)OC)(C(C)(C)[NH3+])CCO1 ZINC000097433852 185603364 /nfs/dbraw/zinc/60/33/64/185603364.db2.gz INDFVQCYLPNSRV-BXUZGUMPSA-N 1 0 257.374 2.252 10 0 CEAERO CCOc1ccccc1[C@@](C)(CC(=O)OC)[C@H](C)[NH3+] ZINC000097431288 185601796 /nfs/dbraw/zinc/60/17/96/185601796.db2.gz JWFBAJZZQPURAT-NHYWBVRUSA-N 1 0 265.353 2.253 10 0 CEAERO CC(C)(c1ccc(F)cc1)c1nccc(CC[NH3+])n1 ZINC000085136515 178955257 /nfs/dbraw/zinc/95/52/57/178955257.db2.gz QFUOVGAOPDURGG-UHFFFAOYSA-N 1 0 259.328 2.443 10 0 CEAERO Cc1ccc([C@@H]([NH3+])c2c(Cl)cnn2C)c(C)n1 ZINC000097448303 185607346 /nfs/dbraw/zinc/60/73/46/185607346.db2.gz JSXPCBNNWCZNJZ-LLVKDONJSA-N 1 0 250.733 2.133 10 0 CEAERO Cn1ccnc1CC[C@@H]([NH3+])[C@H]1Cc2ccccc2S1 ZINC000097451697 185608784 /nfs/dbraw/zinc/60/87/84/185608784.db2.gz WFCBQSWYKHPYPB-TZMCWYRMSA-N 1 0 273.405 2.397 10 0 CEAERO CCn1ncc(OC)c1[C@H]([NH3+])c1cccc(N(C)C)c1 ZINC000097449660 185608930 /nfs/dbraw/zinc/60/89/30/185608930.db2.gz RZOVILUDVOQAJT-CQSZACIVSA-N 1 0 274.368 2.026 10 0 CEAERO CC(C)N(CC[NH3+])Cc1ccn(C2CCCC2)n1 ZINC000085172164 178961842 /nfs/dbraw/zinc/96/18/42/178961842.db2.gz MYYDPVXCVOLZNL-UHFFFAOYSA-N 1 0 250.390 2.167 10 0 CEAERO C[NH+](C)CCCNCc1ccn(C2CCCCC2)n1 ZINC000085172693 178961927 /nfs/dbraw/zinc/96/19/27/178961927.db2.gz MXBHXGMTMIJDCH-UHFFFAOYSA-N 1 0 264.417 2.430 10 0 CEAERO CC[C@H](C)n1ccc(C[C@](C)(O)[C@@H]2CCC[NH2+]C2)n1 ZINC000085181189 178965539 /nfs/dbraw/zinc/96/55/39/178965539.db2.gz HDKRZHGYWVEKBE-GUTXKFCHSA-N 1 0 265.401 2.147 10 0 CEAERO Cc1cccc(N(C)C[C@@](C)(CO)[NH2+]C(C)C)c1 ZINC000085214218 178978275 /nfs/dbraw/zinc/97/82/75/178978275.db2.gz IVQKFVMIUOAXLP-HNNXBMFYSA-N 1 0 250.386 2.180 10 0 CEAERO CC[NH2+][C@](C)(CO)CN(C)c1ccc(CC)cc1 ZINC000085214817 178978496 /nfs/dbraw/zinc/97/84/96/178978496.db2.gz BVVXJLSNKAWGFS-HNNXBMFYSA-N 1 0 250.386 2.046 10 0 CEAERO C[NH2+]CC1CCN(c2ncnc3c2CCCCC3)CC1 ZINC000094888115 136514812 /nfs/dbraw/zinc/51/48/12/136514812.db2.gz AWJOUZYYUSSVLH-UHFFFAOYSA-N 1 0 274.412 2.181 10 0 CEAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCOCC1CC1 ZINC000178308092 232369725 /nfs/dbraw/zinc/36/97/25/232369725.db2.gz ORZVQKWIJPRGRK-OAHLLOKOSA-N 1 0 263.385 2.083 10 0 CEAERO CCCCN(CC[C@H](CO)[NH2+]C)c1ccccc1 ZINC000085261864 178992435 /nfs/dbraw/zinc/99/24/35/178992435.db2.gz YPPXPAUAZCJHDL-CQSZACIVSA-N 1 0 250.386 2.264 10 0 CEAERO CCC[NH2+][C@@](C)(CO)COc1c(C)cccc1C ZINC000085283235 179000672 /nfs/dbraw/zinc/00/06/72/179000672.db2.gz ZYLFODOBEGWCDZ-HNNXBMFYSA-N 1 0 251.370 2.433 10 0 CEAERO CCOc1ccccc1O[C@H](C)C[C@@](C)(CO)[NH2+]C ZINC000085283746 179001492 /nfs/dbraw/zinc/00/14/92/179001492.db2.gz FCVZGYFKLDMLHD-DOMZBBRYSA-N 1 0 267.369 2.213 10 0 CEAERO C[NH2+][C@](C)(CO)C[C@@H](C)Oc1ccc(C)cc1C ZINC000085283439 179001588 /nfs/dbraw/zinc/00/15/88/179001588.db2.gz VRGIGLSUCHDSNV-HIFRSBDPSA-N 1 0 251.370 2.431 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)CCOc1ccccc1F ZINC000085284451 179002070 /nfs/dbraw/zinc/00/20/70/179002070.db2.gz UFWQBHOBTNSIMB-AWEZNQCLSA-N 1 0 255.333 2.344 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCCOc1ccccc1F ZINC000085284465 179002290 /nfs/dbraw/zinc/00/22/90/179002290.db2.gz VEWSZRGSTISKDV-CQSZACIVSA-N 1 0 255.333 2.345 10 0 CEAERO CCC[NH2+][C@@](C)(CO)C[C@@H](C)n1cc(Cl)cn1 ZINC000085263861 178994324 /nfs/dbraw/zinc/99/43/24/178994324.db2.gz ZVBPMYPYPYPFRD-ZYHUDNBSSA-N 1 0 259.781 2.238 10 0 CEAERO CCCCCCOC[C@@](CO)([NH2+]C1CC1)C1CC1 ZINC000085267486 178997302 /nfs/dbraw/zinc/99/73/02/178997302.db2.gz WCBXXWKHTDOLPZ-OAHLLOKOSA-N 1 0 255.402 2.476 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)CCCOC[C@@H]1CCCCO1 ZINC000085269884 178997873 /nfs/dbraw/zinc/99/78/73/178997873.db2.gz KCUQOKQRIVCLPK-GJZGRUSLSA-N 1 0 273.417 2.101 10 0 CEAERO O[C@@H](CNCc1ccsc1Cl)C[NH+]1CCCCC1 ZINC000312762771 201915183 /nfs/dbraw/zinc/91/51/83/201915183.db2.gz WAKPDPHIEFUDQX-LBPRGKRZSA-N 1 0 288.844 2.338 10 0 CEAERO COc1cc(C)ccc1OC[C@@](C)(CO)[NH2+]C(C)C ZINC000085286000 179003313 /nfs/dbraw/zinc/00/33/13/179003313.db2.gz WXQAIQXEMZHSEI-OAHLLOKOSA-N 1 0 267.369 2.131 10 0 CEAERO CCC[NH2+][C@@](C)(CO)C[C@@H](C)Sc1cc(C)nn1C ZINC000085289559 179005695 /nfs/dbraw/zinc/00/56/95/179005695.db2.gz LQKWSRQPUHPIFK-TZMCWYRMSA-N 1 0 285.457 2.350 10 0 CEAERO C[NH2+][C@@](CO)(CSc1ccccn1)c1ccccc1 ZINC000085292008 179007692 /nfs/dbraw/zinc/00/76/92/179007692.db2.gz HXKGUVKBSSUNSL-HNNXBMFYSA-N 1 0 274.389 2.281 10 0 CEAERO Cc1ccc(SC[C@@]([NH3+])(CO)C2CC2)cc1C ZINC000085292247 179007790 /nfs/dbraw/zinc/00/77/90/179007790.db2.gz HFINTWUINQPIPW-AWEZNQCLSA-N 1 0 251.395 2.495 10 0 CEAERO Cc1ccc(C)c(SC[C@@]([NH3+])(CO)C2CC2)c1 ZINC000085292630 179007904 /nfs/dbraw/zinc/00/79/04/179007904.db2.gz OFTFYWHCMMIIDN-AWEZNQCLSA-N 1 0 251.395 2.495 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)C[C@@H](C)Sc1ncccn1 ZINC000085292776 179008675 /nfs/dbraw/zinc/00/86/75/179008675.db2.gz RHGWARWJZMFOFJ-DGCLKSJQSA-N 1 0 269.414 2.096 10 0 CEAERO C[NH2+][C@@](C)(CO)CCCCSc1ncc(C)cn1 ZINC000085297749 179009380 /nfs/dbraw/zinc/00/93/80/179009380.db2.gz PMOLDGROXBWOIT-CYBMUJFWSA-N 1 0 269.414 2.018 10 0 CEAERO C[NH2+][C@@](C)(CO)CCCCOc1ccc(F)cc1 ZINC000085285168 179002979 /nfs/dbraw/zinc/00/29/79/179002979.db2.gz YXYPTSKRTJXIPT-CQSZACIVSA-N 1 0 255.333 2.345 10 0 CEAERO COc1cccc(N(C)CCCC[C@@](C)(O)C[NH3+])c1 ZINC000085303444 179010859 /nfs/dbraw/zinc/01/08/59/179010859.db2.gz KWANARRGYSDVIE-OAHLLOKOSA-N 1 0 266.385 2.011 10 0 CEAERO C[C@@H]1C[C@H](OC[C@@](O)(C[NH3+])C2CC2)CC(C)(C)C1 ZINC000085305688 179011810 /nfs/dbraw/zinc/01/18/10/179011810.db2.gz SSTRQHTVSZJUEK-ZLDLUXBVSA-N 1 0 255.402 2.318 10 0 CEAERO C[C@@](O)(C[NH3+])CCCCOc1cccc(F)c1F ZINC000085305205 179011861 /nfs/dbraw/zinc/01/18/61/179011861.db2.gz OCSGPYHENRRLEN-ZDUSSCGKSA-N 1 0 259.296 2.224 10 0 CEAERO Cc1cc2ncn([C@@H](C)C[C@](C)(O)C[NH3+])c2cc1C ZINC000085304586 179012179 /nfs/dbraw/zinc/01/21/79/179012179.db2.gz VGXGVIJDZQXBQB-WFASDCNBSA-N 1 0 261.369 2.314 10 0 CEAERO C[C@H]([NH3+])CSCC(=O)N[C@@H](C)c1cccs1 ZINC000085313978 179013679 /nfs/dbraw/zinc/01/36/79/179013679.db2.gz VOGSFQXTTKJLDI-IUCAKERBSA-N 1 0 258.412 2.006 10 0 CEAERO Cc1nn(C)c(CSC[C@@H](C)C[NH3+])c1Br ZINC000085320225 179013789 /nfs/dbraw/zinc/01/37/89/179013789.db2.gz RCSBXARUIKVMHV-ZETCQYMHSA-N 1 0 292.246 2.319 10 0 CEAERO COc1ccc(COC(=O)[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000085331189 179020937 /nfs/dbraw/zinc/02/09/37/179020937.db2.gz GCLXITOSCAQBQP-KGLIPLIRSA-N 1 0 263.337 2.256 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000085355401 179030267 /nfs/dbraw/zinc/03/02/67/179030267.db2.gz NEVXBKULGNHGFB-RGCZZKDASA-N 1 0 262.397 2.199 10 0 CEAERO COc1ccc(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])cc1OC ZINC000085355982 179030459 /nfs/dbraw/zinc/03/04/59/179030459.db2.gz LURQUKYVHHASDS-VXGBXAGGSA-N 1 0 278.352 2.160 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)NCc1ccc(Br)cc1 ZINC000085357171 179031022 /nfs/dbraw/zinc/03/10/22/179031022.db2.gz BNEVBCTUKSAALG-RYUDHWBXSA-N 1 0 297.196 2.193 10 0 CEAERO CC(C)[C@H](C)NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000085358494 179031237 /nfs/dbraw/zinc/03/12/37/179031237.db2.gz PNHUEMARYIJJBK-RYUDHWBXSA-N 1 0 257.422 2.306 10 0 CEAERO CN(C(=O)[C@H]1CCC[C@@H]1[NH3+])[C@@H]1CCc2ccccc21 ZINC000085358864 179031270 /nfs/dbraw/zinc/03/12/70/179031270.db2.gz WZHXKAZUWGNVSI-SOUVJXGZSA-N 1 0 258.365 2.260 10 0 CEAERO Cc1nnc(-c2ccccc2NC(=O)[C@H]2CCC[C@@H]2[NH3+])o1 ZINC000085360160 179032256 /nfs/dbraw/zinc/03/22/56/179032256.db2.gz AYOMFCCQZZPEOB-JQWIXIFHSA-N 1 0 286.335 2.111 10 0 CEAERO Cc1nnc(-c2ccccc2NC(=O)[C@H]2CCC[C@H]2[NH3+])o1 ZINC000085360164 179032414 /nfs/dbraw/zinc/03/24/14/179032414.db2.gz AYOMFCCQZZPEOB-CMPLNLGQSA-N 1 0 286.335 2.111 10 0 CEAERO COc1ccc(C)cc1[C@H](C)NC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085361060 179032786 /nfs/dbraw/zinc/03/27/86/179032786.db2.gz PNAYWTVKYBIBSF-OBJOEFQTSA-N 1 0 276.380 2.308 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)Nc1cccc(OC(F)F)c1 ZINC000085362021 179033642 /nfs/dbraw/zinc/03/36/42/179033642.db2.gz XIHHTDUGSWOOQH-MNOVXSKESA-N 1 0 270.279 2.354 10 0 CEAERO COc1cc(C)c(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])cc1OC ZINC000085362593 179034081 /nfs/dbraw/zinc/03/40/81/179034081.db2.gz HMHLEIROVUGFLB-RYUDHWBXSA-N 1 0 292.379 2.468 10 0 CEAERO COCCOc1ccc(NC(=O)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000085364760 179035858 /nfs/dbraw/zinc/03/58/58/179035858.db2.gz JHGVBTKAIWULIF-LSDHHAIUSA-N 1 0 292.379 2.168 10 0 CEAERO Cc1cc(-c2nnco2)ccc1NC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085364908 179035905 /nfs/dbraw/zinc/03/59/05/179035905.db2.gz MNMXYMVTDPTXGB-NWDGAFQWSA-N 1 0 286.335 2.111 10 0 CEAERO [NH3+][C@@H]1COC[C@H]1c1nc2cc(Cl)ccc2s1 ZINC000085352942 179029950 /nfs/dbraw/zinc/02/99/50/179029950.db2.gz BDHCNQJDGPQBQO-HTQZYQBOSA-N 1 0 254.742 2.391 10 0 CEAERO CN(CCCNC(=O)[C@@H]1CCCC[C@@H]1[NH3+])c1ccccc1 ZINC000085355804 179030126 /nfs/dbraw/zinc/03/01/26/179030126.db2.gz NSURUBVCTMYQBM-CVEARBPZSA-N 1 0 289.423 2.147 10 0 CEAERO COc1cccc([C@H]2CCCN2C(=O)[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000085367634 179037540 /nfs/dbraw/zinc/03/75/40/179037540.db2.gz MBXFVDWAGYFIPA-OWCLPIDISA-N 1 0 288.391 2.486 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000085367664 179037542 /nfs/dbraw/zinc/03/75/42/179037542.db2.gz BBOHVUGGYPCTAR-OCCSQVGLSA-N 1 0 283.375 2.180 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)N(Cc1ccco1)C1CC1 ZINC000085368005 179037723 /nfs/dbraw/zinc/03/77/23/179037723.db2.gz XLQBKFWHVCXZRM-UONOGXRCSA-N 1 0 262.353 2.288 10 0 CEAERO Cc1cccc(CN(C)C(=O)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000085368112 179038131 /nfs/dbraw/zinc/03/81/31/179038131.db2.gz ZZRMEXJURSMTMY-HUUCEWRRSA-N 1 0 260.381 2.471 10 0 CEAERO COc1ccccc1CN(C)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085369684 179039649 /nfs/dbraw/zinc/03/96/49/179039649.db2.gz XDDMOKDHFBKWRP-ZIAGYGMSSA-N 1 0 276.380 2.171 10 0 CEAERO CCOC(=O)c1ccsc1NC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085371615 179041664 /nfs/dbraw/zinc/04/16/64/179041664.db2.gz BZDBSGWOFPHTOX-GXSJLCMTSA-N 1 0 296.392 2.381 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)NCCc1ccc(Cl)cc1 ZINC000085371728 179041883 /nfs/dbraw/zinc/04/18/83/179041883.db2.gz FLFDPRPHIKLACP-STQMWFEESA-N 1 0 266.772 2.126 10 0 CEAERO COc1ccc(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])cc1C ZINC000085372629 179042090 /nfs/dbraw/zinc/04/20/90/179042090.db2.gz ICLVTJHDYAYQLY-CHWSQXEVSA-N 1 0 262.353 2.460 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1ccc2ncccc2c1 ZINC000085374261 179043480 /nfs/dbraw/zinc/04/34/80/179043480.db2.gz RZIFCCIKVOJAHU-CHWSQXEVSA-N 1 0 255.321 2.301 10 0 CEAERO CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085376251 179044524 /nfs/dbraw/zinc/04/45/24/179044524.db2.gz PXNNBDVNSHBEKL-NMQNIBJMSA-N 1 0 264.413 2.445 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2CC1 ZINC000085376219 179044598 /nfs/dbraw/zinc/04/45/98/179044598.db2.gz RTBVRDMRQWAFFL-CVEARBPZSA-N 1 0 272.392 2.131 10 0 CEAERO C[C@H]([NH3+])Cc1cc(F)ccc1N1CCSCC1 ZINC000111490416 136532524 /nfs/dbraw/zinc/53/25/24/136532524.db2.gz VOPRRLKBYITXSU-JTQLQIEISA-N 1 0 254.374 2.269 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1cccc2ncccc21 ZINC000061883739 362695123 /nfs/dbraw/zinc/69/51/23/362695123.db2.gz YDLDQZVNIIDGBR-FZMZJTMJSA-N 1 0 269.348 2.092 10 0 CEAERO FC(F)(F)CN(C[C@H]1CCCCO1)C1CC[NH2+]CC1 ZINC000085402892 179052665 /nfs/dbraw/zinc/05/26/65/179052665.db2.gz CIADSYBDEYNBHR-GFCCVEGCSA-N 1 0 280.334 2.172 10 0 CEAERO C[NH2+][C@@H](Cc1cc(F)ccc1C)C(C)(C)S(C)(=O)=O ZINC000097859327 185673309 /nfs/dbraw/zinc/67/33/09/185673309.db2.gz MTPPNJUYYAFDJX-ZDUSSCGKSA-N 1 0 287.400 2.088 10 0 CEAERO CCO[C@H]1C[C@H]([NH2+][C@@H]2CCN(C3CC3)C2)C1(C)C ZINC000085398064 179050286 /nfs/dbraw/zinc/05/02/86/179050286.db2.gz OOLHZNWIAVAISI-XBFCOCLRSA-N 1 0 252.402 2.016 10 0 CEAERO CCC1(CC)CN(Cc2cccc(OC)n2)CC[NH2+]1 ZINC000085435282 179062300 /nfs/dbraw/zinc/06/23/00/179062300.db2.gz ZHVFGLCYYQHGAZ-UHFFFAOYSA-N 1 0 263.385 2.054 10 0 CEAERO CCC[C@@H]1CN([C@@H]2CCOC2)C2(CCCC2)C[NH2+]1 ZINC000085466300 179071681 /nfs/dbraw/zinc/07/16/81/179071681.db2.gz QYARPVACMWUFIP-ZIAGYGMSSA-N 1 0 252.402 2.162 10 0 CEAERO CC(C)[C@H]1CN(C[C@@H]2CCCCO2)C(C)(C)C[NH2+]1 ZINC000085467566 179072700 /nfs/dbraw/zinc/07/27/00/179072700.db2.gz MPXGYXDCPIPPME-UONOGXRCSA-N 1 0 254.418 2.264 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(CCOc2ccccc2)CC[NH2+]1 ZINC000085449667 179064837 /nfs/dbraw/zinc/06/48/37/179064837.db2.gz UTHRNTBBSUTRCN-ZBFHGGJFSA-N 1 0 262.397 2.385 10 0 CEAERO c1ccc(OCCCN2CC[NH2+]C[C@@H]2C2CC2)cc1 ZINC000085451337 179065267 /nfs/dbraw/zinc/06/52/67/179065267.db2.gz DXTYZTSWHUOLKN-MRXNPFEDSA-N 1 0 260.381 2.139 10 0 CEAERO CC[C@]1(C)C[NH2+]CCN1CCCOCC(F)(F)F ZINC000085452002 179065910 /nfs/dbraw/zinc/06/59/10/179065910.db2.gz DKUTWXQGYTYJKM-LLVKDONJSA-N 1 0 268.323 2.029 10 0 CEAERO CC[C@@]1(C)CN[C@@H](C)C[N@@H+]1CCCOCC(F)(F)F ZINC000085454207 179066762 /nfs/dbraw/zinc/06/67/62/179066762.db2.gz MJOJKQXQBPZWNF-RYUDHWBXSA-N 1 0 282.350 2.418 10 0 CEAERO CO[C@H]1CCC[C@@H]([N@@H+]2CCNC[C@@H]2CC(C)C)C1 ZINC000085453069 179066907 /nfs/dbraw/zinc/06/69/07/179066907.db2.gz NTBCTGQSJDIGJS-ILXRZTDVSA-N 1 0 254.418 2.264 10 0 CEAERO C[C@H]1CN(CCOCC(F)(F)F)C2(CCCC2)C[NH2+]1 ZINC000085454385 179066926 /nfs/dbraw/zinc/06/69/26/179066926.db2.gz ACAPWRDEXJBCOO-NSHDSACASA-N 1 0 280.334 2.172 10 0 CEAERO CC(C)C[C@H]1CNCC[N@@H+]1CCCOCC(F)(F)F ZINC000085453075 179067255 /nfs/dbraw/zinc/06/72/55/179067255.db2.gz IKINNEZEDGRQFJ-LBPRGKRZSA-N 1 0 282.350 2.275 10 0 CEAERO CC[C@H](C)n1ccc(CN2C[C@@H](C)[NH2+]C[C@@H]2CC)n1 ZINC000085453289 179067402 /nfs/dbraw/zinc/06/74/02/179067402.db2.gz KUXFETTVCMFYTG-IPYPFGDCSA-N 1 0 264.417 2.426 10 0 CEAERO CC1(C)CN(Cc2cccnc2)[C@](C)(C2CC2)C[NH2+]1 ZINC000085471651 179077005 /nfs/dbraw/zinc/07/70/05/179077005.db2.gz MUTYJLSKQFEHLF-INIZCTEOSA-N 1 0 259.397 2.434 10 0 CEAERO CC[C@@H]1CN(Cc2cnn(CC)c2)[C@H](C(C)C)C[NH2+]1 ZINC000085472937 179078030 /nfs/dbraw/zinc/07/80/30/179078030.db2.gz MYLHYFFKLIPIFU-CABCVRRESA-N 1 0 264.417 2.111 10 0 CEAERO CC[C@H]1CN(C[C@@H]2CCCO2)C2(CCCC2)C[NH2+]1 ZINC000085474833 179078749 /nfs/dbraw/zinc/07/87/49/179078749.db2.gz NHLXIJAYOXPYDY-KBPBESRZSA-N 1 0 252.402 2.162 10 0 CEAERO CC(C)[C@H]1CN[C@@H](C(C)(C)C)C[N@@H+]1[C@@H]1CCOC1 ZINC000085475921 179078903 /nfs/dbraw/zinc/07/89/03/179078903.db2.gz QBIYMUUANPLLKR-MGPQQGTHSA-N 1 0 254.418 2.120 10 0 CEAERO CC(C)(C)[C@H]1C[N@H+](C[C@@H]2CCCO2)[C@H](C2CC2)CN1 ZINC000085476234 179079643 /nfs/dbraw/zinc/07/96/43/179079643.db2.gz FXVZQVXMXUUFNP-SOUVJXGZSA-N 1 0 266.429 2.264 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(C[C@@H]2CCCO2)[C@H](C2CC2)C[NH2+]1 ZINC000085492140 179082082 /nfs/dbraw/zinc/08/20/82/179082082.db2.gz WAGAZHJRWATXRA-OEAJRASXSA-N 1 0 266.429 2.264 10 0 CEAERO CC[C@H](C)[C@H]1C[N@H+](C[C@@H]2CCOC2)[C@@H](CC)CN1 ZINC000085490908 179080852 /nfs/dbraw/zinc/08/08/52/179080852.db2.gz WBKFWXAWVSFVPT-ZQDZILKHSA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@H](C)[C@H]1C[N@H+](CCCOC)[C@H](C2CC2)CN1 ZINC000085492040 179080981 /nfs/dbraw/zinc/08/09/81/179080981.db2.gz MRINLDXISBYYGH-CFVMTHIKSA-N 1 0 254.418 2.121 10 0 CEAERO CC(C)C[C@@H]1CN(C[C@@H]2CCCO2)[C@H](C2CC2)C[NH2+]1 ZINC000085488115 179081569 /nfs/dbraw/zinc/08/15/69/179081569.db2.gz YZCTXGXERHKKMY-PMPSAXMXSA-N 1 0 266.429 2.264 10 0 CEAERO CC1(C)C[N@H+](C[C@@H]2CCCCO2)[C@](C)(C2CC2)CN1 ZINC000085471604 179076450 /nfs/dbraw/zinc/07/64/50/179076450.db2.gz SPYIRQBLJKCUFT-HOCLYGCPSA-N 1 0 266.429 2.408 10 0 CEAERO CCC[C@@H]1CN[C@](C)(C2CC2)C[N@@H+]1CCOCC ZINC000085511100 179085994 /nfs/dbraw/zinc/08/59/94/179085994.db2.gz MVVHEWPDNABCJQ-CABCVRRESA-N 1 0 254.418 2.266 10 0 CEAERO CC(C)OCCN1C[C@@](C)(C2CC2)[NH2+]CC1(C)C ZINC000085514356 179086501 /nfs/dbraw/zinc/08/65/01/179086501.db2.gz FCFKBJKUNACQMI-HNNXBMFYSA-N 1 0 254.418 2.264 10 0 CEAERO CC1(C)C[NH2+][C@](C)(C2CC2)CN1C[C@@H]1CCCO1 ZINC000085514546 179086982 /nfs/dbraw/zinc/08/69/82/179086982.db2.gz YZQCUKPIUYBPFW-ZFWWWQNUSA-N 1 0 252.402 2.018 10 0 CEAERO CC(C)(C)[C@@H](O)C[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000295586493 199575745 /nfs/dbraw/zinc/57/57/45/199575745.db2.gz ZZMRRJMXOUTUNT-AWEZNQCLSA-N 1 0 265.397 2.411 10 0 CEAERO CCC[C@@H]1C[NH2+][C@H](C2CC2)CN1C[C@@H]1CCCCO1 ZINC000085523569 179088437 /nfs/dbraw/zinc/08/84/37/179088437.db2.gz BOMCFZCQEWFZPP-PMPSAXMXSA-N 1 0 266.429 2.408 10 0 CEAERO CC(C)[C@H]1C[NH2+][C@@H](C2CC2)CN1Cc1ccccn1 ZINC000085524349 179088496 /nfs/dbraw/zinc/08/84/96/179088496.db2.gz DDENHOHZGNWGDX-HZPDHXFCSA-N 1 0 259.397 2.290 10 0 CEAERO CC[C@@H]1CN[C@@H](C2CC2)C[N@@H+]1[C@@H]1CCC[C@H](OC)C1 ZINC000085522717 179088638 /nfs/dbraw/zinc/08/86/38/179088638.db2.gz RVMNIRVARGRZGM-LVQVYYBASA-N 1 0 266.429 2.406 10 0 CEAERO CC[C@@H]1C[NH2+]C2(CCCCC2)CN1[C@@H]1CCOC1 ZINC000085498951 179083018 /nfs/dbraw/zinc/08/30/18/179083018.db2.gz YIMLZLVFYXNDFK-ZIAGYGMSSA-N 1 0 252.402 2.162 10 0 CEAERO CC1(C)CNC2(CCCC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085498567 179083257 /nfs/dbraw/zinc/08/32/57/179083257.db2.gz NDDXZGSYZNZAKQ-ZDUSSCGKSA-N 1 0 252.402 2.020 10 0 CEAERO CC(C)[C@@H]1CNC2(CCCC2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085498071 179083496 /nfs/dbraw/zinc/08/34/96/179083496.db2.gz AJWVPWRFHATBDE-GJZGRUSLSA-N 1 0 266.429 2.408 10 0 CEAERO CCOCCN1CC2(CCCC2)[NH2+]C[C@]1(C)CC ZINC000085498590 179083651 /nfs/dbraw/zinc/08/36/51/179083651.db2.gz MUYAOZWZBSLQLP-AWEZNQCLSA-N 1 0 254.418 2.410 10 0 CEAERO CCOc1cccc(-n2c(C)nc3c2CC[NH2+]C3)c1 ZINC000085573283 179097952 /nfs/dbraw/zinc/09/79/52/179097952.db2.gz OZRQFFUBZCDJAW-UHFFFAOYSA-N 1 0 257.337 2.225 10 0 CEAERO CCOCCN1C[C@H](C2CC2)[NH2+]C[C@@H]1C(C)(C)C ZINC000085526597 179089972 /nfs/dbraw/zinc/08/99/72/179089972.db2.gz SICQZHAHCNPJSU-ZIAGYGMSSA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@H](C)[C@H]1CN[C@H](C2CC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085525379 179089995 /nfs/dbraw/zinc/08/99/95/179089995.db2.gz UFEDGZYRRFPVNJ-DARAHFNDSA-N 1 0 266.429 2.121 10 0 CEAERO C[C@]1(C2CC2)C[NH2+][C@@H](C2CC2)CN1Cc1ccccn1 ZINC000085529418 179091654 /nfs/dbraw/zinc/09/16/54/179091654.db2.gz PLATZXWUGTVSIE-IAGOWNOFSA-N 1 0 271.408 2.434 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C2CCCCC2)CN1CCOC ZINC000085529974 179091703 /nfs/dbraw/zinc/09/17/03/179091703.db2.gz PHPLYQMGDCCCMR-GJZGRUSLSA-N 1 0 254.418 2.266 10 0 CEAERO C[C@H]1C[NH2+][C@H](C2CCCCC2)CN1Cc1cnn(C)c1 ZINC000085529783 179091734 /nfs/dbraw/zinc/09/17/34/179091734.db2.gz SBXUNYCJYXIWSD-BBRMVZONSA-N 1 0 276.428 2.163 10 0 CEAERO C[C@@H]([NH3+])c1nc(CN(C)[C@@H]2CCSC2)cs1 ZINC000085549793 179092970 /nfs/dbraw/zinc/09/29/70/179092970.db2.gz BZQKFXOKCIPDGI-PSASIEDQSA-N 1 0 257.428 2.100 10 0 CEAERO C[NH2+][C@@](C)(CO)C[C@@H](C)Oc1cc(C)ccc1F ZINC000085565065 179094687 /nfs/dbraw/zinc/09/46/87/179094687.db2.gz ODJZRKUWKBRJRL-BXUZGUMPSA-N 1 0 255.333 2.262 10 0 CEAERO CC(C)Oc1cc(N[C@@H](C)CCCC[NH3+])ncn1 ZINC000336792481 365814046 /nfs/dbraw/zinc/81/40/46/365814046.db2.gz SHBRTNNTPADMQV-NSHDSACASA-N 1 0 252.362 2.193 10 0 CEAERO CO[C@H]1CCC[C@@H]1n1c(CC(C)C)nc2c1CC[NH2+]C2 ZINC000085570792 179095848 /nfs/dbraw/zinc/09/58/48/179095848.db2.gz BFPVJCVUYXDJOH-GJZGRUSLSA-N 1 0 277.412 2.467 10 0 CEAERO CCOC[C@@H](C)n1c2c(nc1C(C)(C)C)C[NH2+]CC2 ZINC000085572852 179098127 /nfs/dbraw/zinc/09/81/27/179098127.db2.gz DDZCLQVLAINGRV-LLVKDONJSA-N 1 0 265.401 2.424 10 0 CEAERO C[C@H](Cn1ccnc1)n1c2c(nc1C(C)(C)C)C[NH2+]CC2 ZINC000085573549 179099161 /nfs/dbraw/zinc/09/91/61/179099161.db2.gz VCRWRBBPSGUIFR-GFCCVEGCSA-N 1 0 287.411 2.284 10 0 CEAERO CC(C)c1nc2c(n1[C@@H](C)Cn1cccn1)CC[NH2+]C2 ZINC000085574342 179099183 /nfs/dbraw/zinc/09/91/83/179099183.db2.gz DOTWKXYKEQGKGI-LBPRGKRZSA-N 1 0 273.384 2.110 10 0 CEAERO CCc1cc2c(ncnc2NCC[C@H](C)[NH3+])s1 ZINC000063171479 362753780 /nfs/dbraw/zinc/75/37/80/362753780.db2.gz DKTUPMOYWXIYBJ-QMMMGPOBSA-N 1 0 250.371 2.403 10 0 CEAERO Cc1[nH]c2ccc(C(=O)NCC[C@@H](C)[NH3+])cc2c1C ZINC000063170130 362754215 /nfs/dbraw/zinc/75/42/15/362754215.db2.gz XSFHUQQKGZSSHX-SECBINFHSA-N 1 0 259.353 2.252 10 0 CEAERO FC(F)(F)COCCN1CCC[NH2+]C2(CCCC2)C1 ZINC000085612524 179102325 /nfs/dbraw/zinc/10/23/25/179102325.db2.gz SNYGGYWHQWGOKZ-UHFFFAOYSA-N 1 0 280.334 2.173 10 0 CEAERO CN(CCOc1ccccc1Cl)C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085367404 282483721 /nfs/dbraw/zinc/48/37/21/282483721.db2.gz SLMCRSQUGXKBSL-DGCLKSJQSA-N 1 0 296.798 2.305 10 0 CEAERO CC(C)n1ccc(CN2CCC[NH2+][C@](C)(C3CC3)C2)n1 ZINC000085613241 179103426 /nfs/dbraw/zinc/10/34/26/179103426.db2.gz SVEYUHTVVXXEGY-INIZCTEOSA-N 1 0 276.428 2.428 10 0 CEAERO COc1cccc(CN2C[C@H](C(C)C)[NH2+]CC[C@@H]2C)n1 ZINC000085618181 179104526 /nfs/dbraw/zinc/10/45/26/179104526.db2.gz HYVULMHURWZGMC-DZGCQCFKSA-N 1 0 277.412 2.299 10 0 CEAERO CC(C)n1ccc(CN2CC(C)(C)[NH2+]CC[C@H]2C)n1 ZINC000085622640 179105521 /nfs/dbraw/zinc/10/55/21/179105521.db2.gz RCWYMMPYCCVCKV-CYBMUJFWSA-N 1 0 264.417 2.426 10 0 CEAERO CC1(C)[C@H]([NH2+]CCN2CCCCCC2)[C@H]2CCO[C@@H]21 ZINC000085636541 179110085 /nfs/dbraw/zinc/11/00/85/179110085.db2.gz HTKUPWJXVWUNFH-KFWWJZLASA-N 1 0 266.429 2.266 10 0 CEAERO CC(C)[C@@H](CN(C)C)[NH2+][C@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085675495 179112293 /nfs/dbraw/zinc/11/22/93/179112293.db2.gz KJURBNAPIVFZMK-XGUBFFRZSA-N 1 0 268.445 2.366 10 0 CEAERO COc1ccc(CC[NH2+]C2CC2)c(OC)c1OC ZINC000085696882 179115843 /nfs/dbraw/zinc/11/58/43/179115843.db2.gz NKCKTPUKFDXJOQ-UHFFFAOYSA-N 1 0 251.326 2.007 10 0 CEAERO [NH3+]Cc1cncc(Oc2cccc(Br)c2)n1 ZINC000085695138 179116133 /nfs/dbraw/zinc/11/61/33/179116133.db2.gz KNSRYGGQPBOWMA-UHFFFAOYSA-N 1 0 280.125 2.490 10 0 CEAERO Cc1csc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C2(C)C)n1 ZINC000085636322 179109249 /nfs/dbraw/zinc/10/92/49/179109249.db2.gz FCMQSEOJEUHKMI-USWWRNFRSA-N 1 0 252.383 2.355 10 0 CEAERO CC(C)OCCC[NH2+]CCN1CCN(C)c2ccccc21 ZINC000111463367 136561920 /nfs/dbraw/zinc/56/19/20/136561920.db2.gz XQAWMTNVEORBLV-UHFFFAOYSA-N 1 0 291.439 2.348 10 0 CEAERO C[C@@H]([NH3+])Cc1cc(F)ccc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000111487556 136562666 /nfs/dbraw/zinc/56/26/66/136562666.db2.gz TWYQACGSVWYLIR-UTUOFQBUSA-N 1 0 266.360 2.329 10 0 CEAERO Cc1cc(C)cc(OCCCN2CC[C@H]([NH3+])[C@H]2C)c1 ZINC000336808583 365844615 /nfs/dbraw/zinc/84/46/15/365844615.db2.gz CJEJFIZRLQPHQS-ZBFHGGJFSA-N 1 0 262.397 2.494 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)N2CC[C@@H](C[NH+](C)C)C2)o1 ZINC000129344316 365849774 /nfs/dbraw/zinc/84/97/74/365849774.db2.gz VQACJDANKGTJHN-STQMWFEESA-N 1 0 279.384 2.242 10 0 CEAERO Cc1cccc(N2CCN(C[C@@H]([NH3+])C(C)(C)C)CC2)c1 ZINC000019386051 136576836 /nfs/dbraw/zinc/57/68/36/136576836.db2.gz UGOSSCYGAIOTOA-MRXNPFEDSA-N 1 0 275.440 2.490 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1SCC ZINC000236912256 370652134 /nfs/dbraw/zinc/65/21/34/370652134.db2.gz BJXQUTLBQDTAAM-TUAOUCFPSA-N 1 0 258.431 2.294 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@H](C)Cc1cc(C)cc(C)c1 ZINC000236919201 370654662 /nfs/dbraw/zinc/65/46/62/370654662.db2.gz FVWBUIVBULMTRD-HIFRSBDPSA-N 1 0 262.397 2.478 10 0 CEAERO O=C(C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)NC1CCCCC1 ZINC000568298918 299137380 /nfs/dbraw/zinc/13/73/80/299137380.db2.gz ZMNQMNSGJMWZKZ-IACUBPJLSA-N 1 0 250.386 2.214 10 0 CEAERO Cc1ccc(C(=O)NCC[C@@H](C)[NH3+])c(Br)c1 ZINC000129554736 365872194 /nfs/dbraw/zinc/87/21/94/365872194.db2.gz HUUVNSAXERRLBD-SECBINFHSA-N 1 0 285.185 2.225 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1cc(Cl)ccn1 ZINC000335593706 212305425 /nfs/dbraw/zinc/30/54/25/212305425.db2.gz KZTAOJCOYJKZBH-WCBMZHEXSA-N 1 0 253.733 2.062 10 0 CEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCCCOC1CCCC1 ZINC000064241415 362782725 /nfs/dbraw/zinc/78/27/25/362782725.db2.gz ODWWCLPZHGHUKN-AWEZNQCLSA-N 1 0 299.459 2.365 10 0 CEAERO Cc1ccc2c(c1)nc([C@]1([NH3+])CCOC1)n2C(C)C ZINC000085849469 179187192 /nfs/dbraw/zinc/18/71/92/179187192.db2.gz UMBQYRMOJHCALF-HNNXBMFYSA-N 1 0 259.353 2.500 10 0 CEAERO CCC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)CCO1 ZINC000085963708 179205519 /nfs/dbraw/zinc/20/55/19/179205519.db2.gz YDBFOELSOGJALT-XQLPTFJDSA-N 1 0 255.402 2.475 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1CNC(=O)Cc1cccc(F)c1 ZINC000085966189 179206023 /nfs/dbraw/zinc/20/60/23/179206023.db2.gz AUVPCIXJGLRKNF-GXTWGEPZSA-N 1 0 264.344 2.002 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1CNS(=O)(=O)CC1CCCCC1 ZINC000085971812 179207298 /nfs/dbraw/zinc/20/72/98/179207298.db2.gz QEMWELVWDCDMCT-KBPBESRZSA-N 1 0 288.457 2.004 10 0 CEAERO Cc1cc(C(C)(C)C)ccc1O[C@@H](CO)[C@H](C)[NH3+] ZINC000085919529 179199385 /nfs/dbraw/zinc/19/93/85/179199385.db2.gz FCEMBQQRJDCDQB-FZMZJTMJSA-N 1 0 251.370 2.379 10 0 CEAERO CCC[NH2+][C@@H](CCO)CN(CCC)CC(F)(F)F ZINC000085922497 179201174 /nfs/dbraw/zinc/20/11/74/179201174.db2.gz PFZFHMIIFLSPPD-NSHDSACASA-N 1 0 270.339 2.011 10 0 CEAERO CCC[NH2+][C@@H](CCO)CN1CCC(C(C)(C)C)CC1 ZINC000085922604 179201458 /nfs/dbraw/zinc/20/14/58/179201458.db2.gz RVOVKLWHEPSRBU-HNNXBMFYSA-N 1 0 270.461 2.495 10 0 CEAERO CCCOc1ccc(OC[C@@H](CCO)[NH2+]CC)cc1 ZINC000085925578 179202316 /nfs/dbraw/zinc/20/23/16/179202316.db2.gz GUPLSFLJBXYQIQ-CYBMUJFWSA-N 1 0 267.369 2.215 10 0 CEAERO CC[NH2+][C@@H](CCO)C[S@](=O)c1ccc(C(C)C)cc1 ZINC000085927174 179202372 /nfs/dbraw/zinc/20/23/72/179202372.db2.gz ZARIFTNJWRFWLM-IFXJQAMLSA-N 1 0 283.437 2.278 10 0 CEAERO Brc1cn2c(C[NH2+]C3CCC3)cnc2cn1 ZINC000086004240 179214701 /nfs/dbraw/zinc/21/47/01/179214701.db2.gz AXLHBFTXHCORGC-UHFFFAOYSA-N 1 0 281.157 2.134 10 0 CEAERO CC(C)[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)CCO1 ZINC000085978825 179208865 /nfs/dbraw/zinc/20/88/65/179208865.db2.gz LFOCLJQVUBQUBY-ZQDZILKHSA-N 1 0 255.402 2.331 10 0 CEAERO Cc1ccc(NC(=O)[C@@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)cc1 ZINC000085986091 179211726 /nfs/dbraw/zinc/21/17/26/179211726.db2.gz VCSAHRAJRYKNAV-YCPHGPKFSA-N 1 0 290.407 2.463 10 0 CEAERO O=C(C[NH2+]C[C@@H]1CCCC[C@H]1O)Nc1ccccc1Cl ZINC000085987654 179212806 /nfs/dbraw/zinc/21/28/06/179212806.db2.gz MBFQPYVHJFASJF-SMDDNHRTSA-N 1 0 296.798 2.419 10 0 CEAERO CC[NH2+][C@H]1CC[C@H](Sc2ncnc3[nH]cnc32)[C@@H]1C ZINC000086045355 179222843 /nfs/dbraw/zinc/22/28/43/179222843.db2.gz AHIZRTGNVKWOET-UTLUCORTSA-N 1 0 277.397 2.222 10 0 CEAERO CCC[NH2+][C@H]1CC[C@H](Sc2nc(C)cc(=O)[nH]2)[C@@H]1C ZINC000086044839 179223063 /nfs/dbraw/zinc/22/30/63/179223063.db2.gz WPLWHRCHXZXDOM-WOPDTQHZSA-N 1 0 281.425 2.337 10 0 CEAERO C[C@@H]1[C@@H](C)CC[C@@H]1[NH2+]CC(=O)NC1CCCCC1 ZINC000086076173 179225941 /nfs/dbraw/zinc/22/59/41/179225941.db2.gz GWUVGDBIMDPMGW-SCRDCRAPSA-N 1 0 252.402 2.460 10 0 CEAERO C[C@@H]1[C@@H](C)CC[C@@H]1[NH2+]Cc1nnnn1-c1ccccc1 ZINC000086076817 179225962 /nfs/dbraw/zinc/22/59/62/179225962.db2.gz NNKBBAHLYXNTSX-SCRDCRAPSA-N 1 0 271.368 2.187 10 0 CEAERO C[C@@H]1[C@@H](C)CC[C@@H]1NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000086075770 179226070 /nfs/dbraw/zinc/22/60/70/179226070.db2.gz CSPZNRLDXDHQAF-WYFGTUCQSA-N 1 0 278.318 2.079 10 0 CEAERO CC[NH2+][C@@H](c1ccc2c(c1)CCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000086021186 179218444 /nfs/dbraw/zinc/21/84/44/179218444.db2.gz AJGLFTDVVMNZGH-CVEARBPZSA-N 1 0 293.432 2.261 10 0 CEAERO CCC[NH2+][C@H](c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000086022381 179218824 /nfs/dbraw/zinc/21/88/24/179218824.db2.gz HUSPGDURVDVXQR-OCCSQVGLSA-N 1 0 285.409 2.372 10 0 CEAERO CCC[NH2+][C@@H](Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000086026254 179220108 /nfs/dbraw/zinc/22/01/08/179220108.db2.gz UAAZIXBRUBXBQB-ZFWWWQNUSA-N 1 0 299.411 2.171 10 0 CEAERO CCOC(=O)[C@@](CC)(NCC[NH+](CC)CC)C1CC1 ZINC000086121185 179235967 /nfs/dbraw/zinc/23/59/67/179235967.db2.gz SZCGPMAABSDAIA-HNNXBMFYSA-N 1 0 270.417 2.040 10 0 CEAERO Cc1ncc(CN2CC[NH2+][C@H](CC(C)C)C2)s1 ZINC000086144179 179237544 /nfs/dbraw/zinc/23/75/44/179237544.db2.gz IIDJGZMNXCSRFD-GFCCVEGCSA-N 1 0 253.415 2.271 10 0 CEAERO CC[C@H]1CC[C@@H](NC(=O)COc2ccc(C[NH3+])cc2)[C@@H]1C ZINC000086082849 179228330 /nfs/dbraw/zinc/22/83/30/179228330.db2.gz CVJCNOFCZVZZLR-IVMMDQJWSA-N 1 0 290.407 2.465 10 0 CEAERO Cc1ccc(CN2CC[NH2+][C@@H](Cc3ccccc3)C2)cn1 ZINC000086148515 179240053 /nfs/dbraw/zinc/24/00/53/179240053.db2.gz RSFNCIDRDWZFJH-SFHVURJKSA-N 1 0 281.403 2.407 10 0 CEAERO CC[C@@]1(C)CN(CCOC2CCCCC2)CC[NH2+]1 ZINC000086149551 179240341 /nfs/dbraw/zinc/24/03/41/179240341.db2.gz MMTTWYLODULHRT-HNNXBMFYSA-N 1 0 254.418 2.410 10 0 CEAERO Cc1csc([C@H](C)N2CC[NH2+][C@H](C3CC3)C2)n1 ZINC000086150630 179240530 /nfs/dbraw/zinc/24/05/30/179240530.db2.gz NNWFTHYAVCOTSH-JQWIXIFHSA-N 1 0 251.399 2.196 10 0 CEAERO c1nc(CCN2CC[NH2+][C@@H](c3ccccc3)C2)cs1 ZINC000086149475 179240808 /nfs/dbraw/zinc/24/08/08/179240808.db2.gz KQAVOBRTODZVLN-OAHLLOKOSA-N 1 0 273.405 2.332 10 0 CEAERO CC(C)(C)[C@H]1CN(CCc2cscn2)CC[NH2+]1 ZINC000086149464 179240842 /nfs/dbraw/zinc/24/08/42/179240842.db2.gz FVMGWIRWRBHRLL-GFCCVEGCSA-N 1 0 253.415 2.006 10 0 CEAERO Oc1ccc([C@@H]2CN[C@@H](c3ccc(O)cc3)C[NH2+]2)cc1 ZINC000065734882 362845656 /nfs/dbraw/zinc/84/56/56/362845656.db2.gz FPPBMXVCCCEYJD-IYBDPMFKSA-N 1 0 270.332 2.073 10 0 in-vitro CEAERO CC[C@H]1C[NH2+][C@@H](C(C)C)CN1Cc1nccs1 ZINC000086173024 179244806 /nfs/dbraw/zinc/24/48/06/179244806.db2.gz IBONXJFEHOTEAJ-NWDGAFQWSA-N 1 0 253.415 2.352 10 0 CEAERO COc1cc(CN2CC[NH2+]C[C@H]2c2ccccc2)ccn1 ZINC000086177788 179246555 /nfs/dbraw/zinc/24/65/55/179246555.db2.gz KHOANTJFCJAKNP-INIZCTEOSA-N 1 0 283.375 2.237 10 0 CEAERO Cc1csc([C@H](C)N2CC[NH2+]C[C@@H]2C(C)C)n1 ZINC000086177949 179246563 /nfs/dbraw/zinc/24/65/63/179246563.db2.gz CCXACWCJRPQIEZ-NWDGAFQWSA-N 1 0 253.415 2.442 10 0 CEAERO CSCCCN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000086177885 179247003 /nfs/dbraw/zinc/24/70/03/179247003.db2.gz VSEGBCOJEOCURP-AWEZNQCLSA-N 1 0 250.411 2.386 10 0 CEAERO Cc1cc(CN2CC[NH2+][C@H](c3ccccc3)C2)on1 ZINC000086146396 179239214 /nfs/dbraw/zinc/23/92/14/179239214.db2.gz YXIBXGOTEBYEGY-HNNXBMFYSA-N 1 0 257.337 2.130 10 0 CEAERO CC[C@H](C)[C@H]1CN(CCc2nccs2)CC[NH2+]1 ZINC000086148896 179239793 /nfs/dbraw/zinc/23/97/93/179239793.db2.gz OSLSUZILFVDHEZ-NWDGAFQWSA-N 1 0 253.415 2.006 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(CCc2nc(C)cs2)CC[NH2+]1 ZINC000086148844 179239818 /nfs/dbraw/zinc/23/98/18/179239818.db2.gz XJERFMZFLRNJPR-YPMHNXCESA-N 1 0 267.442 2.314 10 0 CEAERO CC(C)(C)[C@H]1CN(CCc2nccs2)CC[NH2+]1 ZINC000086148904 179239837 /nfs/dbraw/zinc/23/98/37/179239837.db2.gz WMGAMHIXLOKPBV-LLVKDONJSA-N 1 0 253.415 2.006 10 0 CEAERO CC[C@H]1C[NH2+][C@@](C)(C2CC2)CN1c1cnn(CC)c1 ZINC000086218503 179249724 /nfs/dbraw/zinc/24/97/24/179249724.db2.gz RERLEVWCQQHAGX-DZGCQCFKSA-N 1 0 262.401 2.260 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](CC(C)C)CN1c1cnn(C)c1 ZINC000086218372 179249782 /nfs/dbraw/zinc/24/97/82/179249782.db2.gz SDHFEWFQRQTMER-CHWSQXEVSA-N 1 0 250.390 2.023 10 0 CEAERO CC[C@H]1C[NH2+][C@](C)(C2CC2)CN1c1cnn(CC)c1 ZINC000086218505 179249904 /nfs/dbraw/zinc/24/99/04/179249904.db2.gz RERLEVWCQQHAGX-ZFWWWQNUSA-N 1 0 262.401 2.260 10 0 CEAERO C[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1CCc1ccccn1 ZINC000086221485 179250846 /nfs/dbraw/zinc/25/08/46/179250846.db2.gz KNEVOYBJGSYVPA-DZGCQCFKSA-N 1 0 261.413 2.333 10 0 CEAERO CC[C@H]1C[NH2+][C@@](C)(CC)CN1CCc1cccnc1 ZINC000086223235 179252158 /nfs/dbraw/zinc/25/21/58/179252158.db2.gz DELDSZGGIYSLIO-HOTGVXAUSA-N 1 0 261.413 2.477 10 0 CEAERO COc1cc(N[C@H](CCC[NH3+])c2ccccc2)ncn1 ZINC000336832904 365898301 /nfs/dbraw/zinc/89/83/01/365898301.db2.gz GDHXPJQNEBKANW-CYBMUJFWSA-N 1 0 272.352 2.377 10 0 CEAERO CN(CCC[NH+](C)C)c1nc(Br)cs1 ZINC000086291233 179265448 /nfs/dbraw/zinc/26/54/48/179265448.db2.gz VOMZRAZWBOYJLH-UHFFFAOYSA-N 1 0 278.219 2.294 10 0 CEAERO Cc1cc(CN2CC3(CCCCC3)[NH2+]C[C@H]2C)no1 ZINC000086259802 179259551 /nfs/dbraw/zinc/25/95/51/179259551.db2.gz HMEHCYUKACCSKA-GFCCVEGCSA-N 1 0 263.385 2.480 10 0 CEAERO CC[C@H]1CN[C@H](CC(C)C)C[N@@H+]1C[C@@H](C)COC ZINC000086261018 179259783 /nfs/dbraw/zinc/25/97/83/179259783.db2.gz CHGHROALERJVLC-KFWWJZLASA-N 1 0 256.434 2.367 10 0 CEAERO CC[C@H]1CN[C@](C)(CC)C[N@@H+]1[C@@H]1CCC[C@@H]1OC ZINC000086261360 179259876 /nfs/dbraw/zinc/25/98/76/179259876.db2.gz JBFDCTUIJSLFOV-LJISPDSOSA-N 1 0 254.418 2.406 10 0 CEAERO C[C@@H]1C[NH2+]C(C)(C)CN1C[C@@H]1Cc2ccccc2O1 ZINC000086261711 179259995 /nfs/dbraw/zinc/25/99/95/179259995.db2.gz QHXBIOHGNJBGNU-OCCSQVGLSA-N 1 0 260.381 2.062 10 0 CEAERO CC[C@@H]1C[NH2+]C(C)(C)CN1C[C@@H]1Cc2ccccc2O1 ZINC000086261713 179260212 /nfs/dbraw/zinc/26/02/12/179260212.db2.gz NEOFXAQZDUSQTC-CABCVRRESA-N 1 0 274.408 2.453 10 0 CEAERO CC[C@@H]1C[NH2+]C2(CCCC2)CN1Cc1cc(C)no1 ZINC000086260407 179260358 /nfs/dbraw/zinc/26/03/58/179260358.db2.gz UTFPWFZMZWDUPJ-CYBMUJFWSA-N 1 0 263.385 2.480 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1Cc1nccn1C ZINC000086264889 179260886 /nfs/dbraw/zinc/26/08/86/179260886.db2.gz WRSWLRHEVILHOL-KBPBESRZSA-N 1 0 278.444 2.265 10 0 CEAERO CC[C@@H]1C[NH2+]C(C)(C)CN1CCc1nc(C)cs1 ZINC000086264261 179260898 /nfs/dbraw/zinc/26/08/98/179260898.db2.gz AETYKJYVKZXJBW-GFCCVEGCSA-N 1 0 267.442 2.456 10 0 CEAERO CC[C@@H]1C[NH2+]C(C)(C)CN1CCc1nccs1 ZINC000086264369 179260994 /nfs/dbraw/zinc/26/09/94/179260994.db2.gz WVSLBLNTNHCBPO-LLVKDONJSA-N 1 0 253.415 2.148 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1Cc1nccn1C ZINC000086264810 179261346 /nfs/dbraw/zinc/26/13/46/179261346.db2.gz FCGGCWFHDATGLK-QWHCGFSZSA-N 1 0 264.417 2.019 10 0 CEAERO CSCC[N@@H+]1C[C@H](c2ccccc2)NC[C@@H]1C ZINC000086266180 179261689 /nfs/dbraw/zinc/26/16/89/179261689.db2.gz BIASNEIGAPQRLL-GXTWGEPZSA-N 1 0 250.411 2.384 10 0 CEAERO CSC[C@H](C)C[N@@H+]1C[C@](C)(C2CC2)NC[C@@H]1C ZINC000086266374 179261880 /nfs/dbraw/zinc/26/18/80/179261880.db2.gz PJPGZVONAMTYMH-MBNYWOFBSA-N 1 0 256.459 2.448 10 0 CEAERO Brc1csc(NCC[C@@H]2CC[NH2+]C2)n1 ZINC000086290825 179265129 /nfs/dbraw/zinc/26/51/29/179265129.db2.gz BGEBWJIBLHPQKM-ZETCQYMHSA-N 1 0 276.203 2.317 10 0 CEAERO C[C@H]1CN[C@@](C)(c2ccccc2)C[N@@H+]1[C@@H]1CCCOC1 ZINC000086265220 179262363 /nfs/dbraw/zinc/26/23/63/179262363.db2.gz JLLFEPIUGLKBMW-USXIJHARSA-N 1 0 274.408 2.375 10 0 CEAERO Brc1csc(NC2CC[NH2+]CC2)n1 ZINC000086290537 179265144 /nfs/dbraw/zinc/26/51/44/179265144.db2.gz DZUOQLXVFWEHNS-UHFFFAOYSA-N 1 0 262.176 2.070 10 0 CEAERO CC(C)[C@H]1C[NH2+][C@@H](C2CC2)CN1CCc1cscn1 ZINC000086265556 179262516 /nfs/dbraw/zinc/26/25/16/179262516.db2.gz OGEJGOSZYPUKPR-HUUCEWRRSA-N 1 0 279.453 2.394 10 0 CEAERO CC[C@@H]1CN(CCc2ccc(F)cc2)CCC[NH2+]1 ZINC000086285651 179263467 /nfs/dbraw/zinc/26/34/67/179263467.db2.gz QIMAVIDUIRDBOD-OAHLLOKOSA-N 1 0 250.361 2.442 10 0 CEAERO CCC[C@@H]1CN(Cc2csc(C)n2)CCC[NH2+]1 ZINC000086289999 179264827 /nfs/dbraw/zinc/26/48/27/179264827.db2.gz KTBDLQIKIOTHEI-GFCCVEGCSA-N 1 0 253.415 2.416 10 0 CEAERO CC(C)N1C(=O)C[C@H]([NH3+])[C@H]1c1ccc2ccccc2n1 ZINC000086317447 179270520 /nfs/dbraw/zinc/27/05/20/179270520.db2.gz CKPKBXQTHCMTHH-LRDDRELGSA-N 1 0 269.348 2.244 10 0 CEAERO CN(c1nc(Br)cs1)[C@@H]1CCC[NH2+]C1 ZINC000086290831 179265734 /nfs/dbraw/zinc/26/57/34/179265734.db2.gz NGSOLRWHDNOKDQ-SSDOTTSWSA-N 1 0 276.203 2.094 10 0 CEAERO C[C@@]1(c2ccccc2)C[N@@H+]([C@@H]2CCCOC2)CCCN1 ZINC000086297627 179267198 /nfs/dbraw/zinc/26/71/98/179267198.db2.gz RSQWTOSIARUUGW-SJORKVTESA-N 1 0 274.408 2.376 10 0 CEAERO CCC[C@@H]1CN(Cc2scnc2C)CCC[NH2+]1 ZINC000086297113 179267345 /nfs/dbraw/zinc/26/73/45/179267345.db2.gz AKEJWZSVVXJUEF-GFCCVEGCSA-N 1 0 253.415 2.416 10 0 CEAERO CC[C@H](C)[C@@H]1CN(Cc2cscn2)CCC[NH2+]1 ZINC000086297827 179267557 /nfs/dbraw/zinc/26/75/57/179267557.db2.gz CRIIXMFGYRLHEE-AAEUAGOBSA-N 1 0 253.415 2.353 10 0 CEAERO CCC[C@@H]1CN(Cc2ccc(OC)nc2)CCC[NH2+]1 ZINC000086296402 179267564 /nfs/dbraw/zinc/26/75/64/179267564.db2.gz PZJUAIOLKFPIIU-CQSZACIVSA-N 1 0 263.385 2.054 10 0 CEAERO CC[C@]1(C)CN(Cc2ccc3c(c2)OCO3)CCC[NH2+]1 ZINC000086295867 179267654 /nfs/dbraw/zinc/26/76/54/179267654.db2.gz HJIYBIOVRNDVSD-MRXNPFEDSA-N 1 0 276.380 2.379 10 0 CEAERO Cc1cccnc1CN1CCC[NH2+]C2(CCCC2)C1 ZINC000086297390 179268043 /nfs/dbraw/zinc/26/80/43/179268043.db2.gz MDEYSKPLHDOMOP-UHFFFAOYSA-N 1 0 259.397 2.498 10 0 CEAERO [NH3+][C@H]1CC[C@@H](NCc2ccccc2Br)C1 ZINC000086399736 179284978 /nfs/dbraw/zinc/28/49/78/179284978.db2.gz DLKHUQHXJJBKJY-WDEREUQCSA-N 1 0 269.186 2.419 10 0 CEAERO CC[C@@H]1COCCN1c1nc2c(s1)CCC[C@@H]2[NH3+] ZINC000086442940 179294245 /nfs/dbraw/zinc/29/42/45/179294245.db2.gz QMKVJVVOIIFPFR-ZJUUUORDSA-N 1 0 267.398 2.094 10 0 CEAERO CC[C@@H]1CN(C(=O)c2ccsc2)[C@H](CC)C[NH2+]1 ZINC000086446026 179294653 /nfs/dbraw/zinc/29/46/53/179294653.db2.gz PQKFTEPANLZBFS-VXGBXAGGSA-N 1 0 252.383 2.351 10 0 CEAERO CCC[C@H]([NH3+])Cc1nc([C@H]2Cc3ccccc32)no1 ZINC000086492006 179302683 /nfs/dbraw/zinc/30/26/83/179302683.db2.gz DOMLQMYFJVIZJY-AAEUAGOBSA-N 1 0 257.337 2.428 10 0 CEAERO c1nc(CC[NH2+]Cc2c[nH]nc2-c2ccccc2)c[nH]1 ZINC000086507166 179303106 /nfs/dbraw/zinc/30/31/06/179303106.db2.gz JOIDQXRPFSMDEH-UHFFFAOYSA-N 1 0 267.336 2.132 10 0 CEAERO COC(OC)[C@@H]([NH3+])Cc1ccc(Cl)cc1Cl ZINC000086451800 179296498 /nfs/dbraw/zinc/29/64/98/179296498.db2.gz HUYIDTZZPXNSLA-JTQLQIEISA-N 1 0 264.152 2.482 10 0 CEAERO CC[C@H]1CN(Cc2noc(-c3ccco3)n2)[C@@H](CC)C[NH2+]1 ZINC000086465135 179296876 /nfs/dbraw/zinc/29/68/76/179296876.db2.gz JKDIZOPCULHHCR-RYUDHWBXSA-N 1 0 290.367 2.292 10 0 CEAERO C[C@@H]1CN(Cc2cn(C)c3ccccc23)[C@@H](C)C[NH2+]1 ZINC000086467097 179297217 /nfs/dbraw/zinc/29/72/17/179297217.db2.gz AXLNQCSQKMUXJZ-OLZOCXBDSA-N 1 0 257.381 2.361 10 0 CEAERO CC[NH2+]C[C@](C)(O)c1cscc1Br ZINC000086558437 179307686 /nfs/dbraw/zinc/30/76/86/179307686.db2.gz MAHJUAKNKALZTH-VIFPVBQESA-N 1 0 264.188 2.328 10 0 CEAERO CO[C@H](C)[C@H]([NH3+])Cc1cc(Br)cs1 ZINC000086576167 179308498 /nfs/dbraw/zinc/30/84/98/179308498.db2.gz LHFMQGVENGQUEE-HZGVNTEJSA-N 1 0 264.188 2.415 10 0 CEAERO COc1ccc([C@H](C[NH3+])N(C)C2CCOCC2)cc1Cl ZINC000086586529 179309973 /nfs/dbraw/zinc/30/99/73/179309973.db2.gz KQFRYPKYSZASIY-AWEZNQCLSA-N 1 0 298.814 2.459 10 0 CEAERO CC(C)n1c2ccc(C[NH3+])cc2nc1-c1cnn(C)c1 ZINC000086641514 179315108 /nfs/dbraw/zinc/31/51/08/179315108.db2.gz IIEDLXYGXCZEHN-UHFFFAOYSA-N 1 0 269.352 2.476 10 0 CEAERO CCC(CC)(CC)NS(=O)(=O)c1ccccc1C[NH3+] ZINC000086642859 179315802 /nfs/dbraw/zinc/31/58/02/179315802.db2.gz HUAPQIVUMYTWDU-UHFFFAOYSA-N 1 0 284.425 2.392 10 0 CEAERO Cc1nc(Sc2ccc(C(N)=[NH2+])cn2)nc(C)c1C ZINC000086643813 179315821 /nfs/dbraw/zinc/31/58/21/179315821.db2.gz NBQRQLUOGWVEKT-UHFFFAOYSA-N 1 0 273.365 2.232 10 0 CEAERO CC[NH2+][C@](CO)(CSc1nc(C)c(C)c(C)n1)C1CC1 ZINC000086646932 179316246 /nfs/dbraw/zinc/31/62/46/179316246.db2.gz XHANFOWHSWAUOL-OAHLLOKOSA-N 1 0 295.452 2.245 10 0 CEAERO O[C@H](c1ccc2c(c1)OCCO2)[C@H]1[NH2+]Cc2ccccc21 ZINC000086667105 179316899 /nfs/dbraw/zinc/31/68/99/179316899.db2.gz QFLNJKZMYGYQSO-DLBZAZTESA-N 1 0 283.327 2.336 10 0 CEAERO Cc1ncsc1CN(C)[C@@]1(C[NH3+])CCC[C@@H]1C ZINC000086677323 179319536 /nfs/dbraw/zinc/31/95/36/179319536.db2.gz KMWBBPKOSQYWMY-GXFFZTMASA-N 1 0 253.415 2.401 10 0 CEAERO CCOC(=O)[C@H](C)OC1(C[NH3+])CCC(C)(C)CC1 ZINC000086712201 179322659 /nfs/dbraw/zinc/32/26/59/179322659.db2.gz VPMOUYSJOXFOLW-NSHDSACASA-N 1 0 257.374 2.252 10 0 CEAERO COC(=O)[C@H](C)OC1(C[NH3+])CCC(C(C)C)CC1 ZINC000086713575 179322700 /nfs/dbraw/zinc/32/27/00/179322700.db2.gz BWBVNHBOILYJHR-DCBWTQNWSA-N 1 0 257.374 2.108 10 0 CEAERO CCNC(=O)[C@@H](C)OC1(C[NH3+])CCC(C(C)C)CC1 ZINC000086713477 179322724 /nfs/dbraw/zinc/32/27/24/179322724.db2.gz FHMCFAPAXGXRRZ-DNOWBOINSA-N 1 0 270.417 2.071 10 0 CEAERO CC(C)NC(=O)[C@H](C)OC1(C[NH3+])CCC(C)(C)CC1 ZINC000086712179 179322983 /nfs/dbraw/zinc/32/29/83/179322983.db2.gz YPFWWYPFAGOZRQ-LBPRGKRZSA-N 1 0 270.417 2.214 10 0 CEAERO COC(=O)[C@@]1(Nc2ccccc2)CCC[N@H+](C)CC1 ZINC000086819807 179348093 /nfs/dbraw/zinc/34/80/93/179348093.db2.gz NJDHHEPVQWGKTN-OAHLLOKOSA-N 1 0 262.353 2.126 10 0 CEAERO CCC[N@@H+]1CCC[C@](N[C@@H](C)CC)(C(=O)OC)CC1 ZINC000086850507 179357815 /nfs/dbraw/zinc/35/78/15/179357815.db2.gz CSNRTLWNBVKCID-DZGCQCFKSA-N 1 0 270.417 2.182 10 0 CEAERO C[N@@H+]1CCC[C@@](CC(=O)[O-])([NH+]2CCCCCC2)CC1 ZINC000086834373 179350103 /nfs/dbraw/zinc/35/01/03/179350103.db2.gz QLEDXZUBFZRVCO-OAHLLOKOSA-N 1 0 268.401 2.192 10 0 CEAERO C[N@@H+]1CCC[C@H]([NH+]2CCc3ccccc3[C@@H]2C(=O)[O-])CC1 ZINC000086834615 179350199 /nfs/dbraw/zinc/35/01/99/179350199.db2.gz KQGFWFNZBYVNAR-GOEBONIOSA-N 1 0 288.391 2.155 10 0 CEAERO C[N@@H+]1CCC[C@@](NC2CC2)(c2nccs2)CC1 ZINC000086833745 179350460 /nfs/dbraw/zinc/35/04/60/179350460.db2.gz YBBHCSYHXHALLV-ZDUSSCGKSA-N 1 0 251.399 2.206 10 0 CEAERO CCC[N@@H+]1CCC[C@H](N[C@@H](CC(C)C)C(=O)OC)CC1 ZINC000086838336 179351549 /nfs/dbraw/zinc/35/15/49/179351549.db2.gz LVIBVJKCCXKTDZ-GJZGRUSLSA-N 1 0 284.444 2.428 10 0 CEAERO COCCn1cc(N[C@H]2CCC[N@@H+](C(C)C)CC2)cn1 ZINC000086839395 179351907 /nfs/dbraw/zinc/35/19/07/179351907.db2.gz MLLMKMDFLYCAPP-AWEZNQCLSA-N 1 0 280.416 2.204 10 0 CEAERO COc1ncccc1CN[C@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086840783 179353456 /nfs/dbraw/zinc/35/34/56/179353456.db2.gz JOYPJZYFZIXMAV-HNNXBMFYSA-N 1 0 277.412 2.443 10 0 CEAERO CC[N@@H+]1CCC[C@H](NCc2cccc3c2OCO3)CC1 ZINC000086842412 179353566 /nfs/dbraw/zinc/35/35/66/179353566.db2.gz SQPBPDUDAHFNLG-AWEZNQCLSA-N 1 0 276.380 2.379 10 0 CEAERO CCC[N@@H+]1CCC[C@](CC(=O)[O-])([NH+](CC)CC)CC1 ZINC000086868499 179360084 /nfs/dbraw/zinc/36/00/84/179360084.db2.gz WBHGZILFZWXXDJ-HNNXBMFYSA-N 1 0 270.417 2.438 10 0 CEAERO CC(C)[N@@H+]1CCC[C@H]([NH+](CC(=O)[O-])CC2CC2)CC1 ZINC000086868694 179361633 /nfs/dbraw/zinc/36/16/33/179361633.db2.gz NBCXZIQGQCWCCG-AWEZNQCLSA-N 1 0 268.401 2.046 10 0 CEAERO CCS(=O)(=O)CCC[C@@H](Cc1ccccc1)[NH2+]C ZINC000086978705 179372766 /nfs/dbraw/zinc/37/27/66/179372766.db2.gz TXTUYDPZAHCKLJ-AWEZNQCLSA-N 1 0 269.410 2.032 10 0 CEAERO CCS(=O)(=O)CCCC1(C[NH2+]C)CCCCC1 ZINC000086981021 179373267 /nfs/dbraw/zinc/37/32/67/179373267.db2.gz XSQMZPVZPBRWEG-UHFFFAOYSA-N 1 0 261.431 2.371 10 0 CEAERO CCC[NH2+][C@H]1CC[C@H](CCCS(=O)(=O)CC)C1 ZINC000086981703 179373387 /nfs/dbraw/zinc/37/33/87/179373387.db2.gz VBXFKXHBYIUGAI-STQMWFEESA-N 1 0 261.431 2.370 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH3+])c1ccc2ccccc2n1 ZINC000086979647 179373474 /nfs/dbraw/zinc/37/34/74/179373474.db2.gz JTBLCURWNJPSMG-CYBMUJFWSA-N 1 0 292.404 2.450 10 0 CEAERO CCC[C@@H]1CCC[C@H]([NH2+]CCCS(N)(=O)=O)CC1 ZINC000086945853 179367589 /nfs/dbraw/zinc/36/75/89/179367589.db2.gz BTAAKVXXNDSLLS-OLZOCXBDSA-N 1 0 276.446 2.004 10 0 CEAERO COCC[NH2+][C@@]1(C(N)=O)CCC[C@H](C(C)(C)C)CC1 ZINC000086959939 179369006 /nfs/dbraw/zinc/36/90/06/179369006.db2.gz QMFZXGSSHKTQIX-WFASDCNBSA-N 1 0 270.417 2.073 10 0 CEAERO CC[NH2+][C@@H](C)[C@@H](CC)c1nc(CCCOC)no1 ZINC000086971916 179370498 /nfs/dbraw/zinc/37/04/98/179370498.db2.gz SDHZKNLOGUZKOS-WDEREUQCSA-N 1 0 255.362 2.140 10 0 CEAERO COCCCc1nc(C)c(C[NH2+]C(C)C)c(C)n1 ZINC000086971586 179370854 /nfs/dbraw/zinc/37/08/54/179370854.db2.gz BMJXKIXZNNVLHT-UHFFFAOYSA-N 1 0 251.374 2.170 10 0 CEAERO C[NH2+][C@@H](C)[C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000104072788 185892753 /nfs/dbraw/zinc/89/27/53/185892753.db2.gz GGWKQSZULYKEET-UWVGGRQHSA-N 1 0 261.325 2.457 10 0 CEAERO CC[C@](C)(O)C[NH2+]C1CCN(CC=C(C)C)CC1 ZINC000087011837 179379135 /nfs/dbraw/zinc/37/91/35/179379135.db2.gz QNCXAJFPANARNX-HNNXBMFYSA-N 1 0 254.418 2.168 10 0 CEAERO [NH3+]CCc1cn(Cc2cc(Br)cs2)cn1 ZINC000087016538 179380290 /nfs/dbraw/zinc/38/02/90/179380290.db2.gz RSTITMVAUSKARS-UHFFFAOYSA-N 1 0 286.198 2.257 10 0 CEAERO CCC(O)(CC)C[NH2+]CC(=O)Nc1ccccc1C ZINC000087028587 179382057 /nfs/dbraw/zinc/38/20/57/179382057.db2.gz UDRHGEMGKDOOEF-UHFFFAOYSA-N 1 0 264.369 2.074 10 0 CEAERO Cc1cc([C@H]([NH3+])CCC(N)=O)sc1Br ZINC000087019499 179381217 /nfs/dbraw/zinc/38/12/17/179381217.db2.gz VNWFGXXZESVVOW-ZCFIWIBFSA-N 1 0 277.187 2.084 10 0 CEAERO CC[C@@](C)(O)C[NH2+]C[C@@H](O)c1ccccc1Cl ZINC000087028119 179381850 /nfs/dbraw/zinc/38/18/50/179381850.db2.gz KCGAAMMIUPMAHN-CHWSQXEVSA-N 1 0 257.761 2.124 10 0 CEAERO CCN([C@@H](C[NH3+])c1ccc(OC)c(F)c1)C1CC1 ZINC000086983505 179374096 /nfs/dbraw/zinc/37/40/96/179374096.db2.gz XFVUCYPJRPJRGJ-ZDUSSCGKSA-N 1 0 252.333 2.318 10 0 CEAERO [NH3+][C@H](Cc1ccncc1Cl)[C@@H]1CSCCS1 ZINC000086983963 179374102 /nfs/dbraw/zinc/37/41/02/179374102.db2.gz HEZSKDOSUCLLPM-MNOVXSKESA-N 1 0 274.842 2.453 10 0 CEAERO CC[NH2+][C@H](Cc1cccs1)[C@@H]1CSCCO1 ZINC000086989161 179374427 /nfs/dbraw/zinc/37/44/27/179374427.db2.gz NOOQXKXYXJIJQY-NEPJUHHUSA-N 1 0 257.424 2.401 10 0 CEAERO [NH3+][C@@H](Cc1ccc(Cl)s1)[C@H]1CSCCO1 ZINC000086986847 179374628 /nfs/dbraw/zinc/37/46/28/179374628.db2.gz CTRRRROFTZRVQW-DTWKUNHWSA-N 1 0 263.815 2.403 10 0 CEAERO [NH3+]Cc1ccc(CNC(=O)c2c(F)cc(F)cc2F)cc1 ZINC000086995709 179376700 /nfs/dbraw/zinc/37/67/00/179376700.db2.gz IPFUNPIYANZWPT-UHFFFAOYSA-N 1 0 294.276 2.493 10 0 CEAERO CCN(C(=O)c1c(F)cc(F)cc1F)C1CC[NH2+]CC1 ZINC000086997875 179377511 /nfs/dbraw/zinc/37/75/11/179377511.db2.gz HTDNFZAIURYUNT-UHFFFAOYSA-N 1 0 286.297 2.318 10 0 CEAERO C[C@@H](C[NH3+])c1noc(-c2c(F)cc(F)cc2F)n1 ZINC000086998689 179377917 /nfs/dbraw/zinc/37/79/17/179377917.db2.gz NTHKOPRSOJJARE-YFKPBYRVSA-N 1 0 257.215 2.216 10 0 CEAERO COC(=O)c1occc1C[NH2+]C[C@]1(O)CCC[C@H](C)C1 ZINC000087050931 179388876 /nfs/dbraw/zinc/38/88/76/179388876.db2.gz PITVVUSQHDSEPY-NHYWBVRUSA-N 1 0 281.352 2.097 10 0 CEAERO CC1CCC(OC[C@@H](O)C[NH2+]CC2(O)CCCCC2)CC1 ZINC000087029208 179382249 /nfs/dbraw/zinc/38/22/49/179382249.db2.gz CMLOASHMWJUKBJ-PCKAHOCUSA-N 1 0 299.455 2.227 10 0 CEAERO COc1cc(OC)c([C@@H]2C[NH2+]CC(C)(C)O2)cc1OC ZINC000087090395 179394323 /nfs/dbraw/zinc/39/43/23/179394323.db2.gz CNMQMKTYQNTCOO-AWEZNQCLSA-N 1 0 281.352 2.152 10 0 CEAERO CCSC[C@@H](O)Cc1[nH+]cc(C)c(OC)c1C ZINC000087105541 179394660 /nfs/dbraw/zinc/39/46/60/179394660.db2.gz LQTFMGJKEOSYOY-NSHDSACASA-N 1 0 255.383 2.364 10 0 CEAERO C[C@H]([NH2+]C[C@@]1(O)CCC[C@@H](C)C1)C(=O)NC1CCCCC1 ZINC000087065683 179389982 /nfs/dbraw/zinc/38/99/82/179389982.db2.gz BUCSMSJRDQALLA-JKIFEVAISA-N 1 0 296.455 2.355 10 0 CEAERO C[C@H]([NH2+]C[C@]1(O)CCC[C@@H](C)C1)C(=O)N1CCCCCC1 ZINC000087064998 179390304 /nfs/dbraw/zinc/39/03/04/179390304.db2.gz SOWJXVJTBQSNHC-VYDXJSESSA-N 1 0 296.455 2.308 10 0 CEAERO Cn1c2cccc(F)c2nc1N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000334996293 282600835 /nfs/dbraw/zinc/60/08/35/282600835.db2.gz PDZFDDHMUPTTCW-LBPRGKRZSA-N 1 0 276.359 2.276 10 0 CEAERO C[C@H]1CCC[C@]([NH3+])(C(=O)NCC2(O)CCC(C)(C)CC2)C1 ZINC000087068908 179391306 /nfs/dbraw/zinc/39/13/06/179391306.db2.gz NQEWNPRGRKLKAK-SUMWQHHRSA-N 1 0 296.455 2.342 10 0 CEAERO CCOC(=O)C[C@H](C)[NH2+]CC1(O)CCCCCC1 ZINC000087089514 179393425 /nfs/dbraw/zinc/39/34/25/179393425.db2.gz DOKVTSLNQYWCOJ-LBPRGKRZSA-N 1 0 257.374 2.003 10 0 CEAERO C[C@@H]1CCC[C@@]([NH3+])(C(=O)NCC2(O)CCCCCC2)C1 ZINC000087089880 179393700 /nfs/dbraw/zinc/39/37/00/179393700.db2.gz ZUACLUATXFYIKD-CJNGLKHVSA-N 1 0 282.428 2.096 10 0 CEAERO CC[C@H]1C[NH2+]C[C@@H](c2ccc3c(c2)OCCCO3)O1 ZINC000087090225 179393945 /nfs/dbraw/zinc/39/39/45/179393945.db2.gz ASSNDCNXAOXTCG-WFASDCNBSA-N 1 0 263.337 2.287 10 0 CEAERO CC[NH2+][C@H](COC)Cc1nc(CS[C@@H](C)CC)no1 ZINC000087140989 179397168 /nfs/dbraw/zinc/39/71/68/179397168.db2.gz JMNJEOIULWUUEN-QWRGUYRKSA-N 1 0 287.429 2.268 10 0 CEAERO CC[C@@H](C)SCc1nc(C[NH2+]C(C)C)cc(=O)[nH]1 ZINC000087141588 179397483 /nfs/dbraw/zinc/39/74/83/179397483.db2.gz NQDBVASXNTWMDB-SNVBAGLBSA-N 1 0 269.414 2.300 10 0 CEAERO COc1c(C)c[nH+]c(C[C@]2(O)CCO[C@@H](C)C2)c1C ZINC000087182287 179399237 /nfs/dbraw/zinc/39/92/37/179399237.db2.gz TUIODGOUXMSDBR-NHYWBVRUSA-N 1 0 265.353 2.180 10 0 CEAERO C[N@@H+]1CCC[C@@](O)(Cc2cccc(F)c2F)CC1 ZINC000087186256 179399756 /nfs/dbraw/zinc/39/97/56/179399756.db2.gz DLJWMZSCPXFQKO-AWEZNQCLSA-N 1 0 255.308 2.354 10 0 CEAERO CCC[N@@H+]1CCC[C@](O)(CC2CCOCC2)CC1 ZINC000087186566 179399897 /nfs/dbraw/zinc/39/98/97/179399897.db2.gz MNNFYVQLZNVYDH-OAHLLOKOSA-N 1 0 255.402 2.430 10 0 CEAERO Cc1oc(C)c(C(=O)N(CCC[NH3+])C2CC2)c1C ZINC000087188172 179399963 /nfs/dbraw/zinc/39/99/63/179399963.db2.gz MZINAEVCXCAYSP-UHFFFAOYSA-N 1 0 250.342 2.158 10 0 CEAERO CC[NH2+][C@H](C[C@H]1CCCO1)c1ccc2c(c1)NC(=O)CO2 ZINC000087213967 179402299 /nfs/dbraw/zinc/40/22/99/179402299.db2.gz GNWGEXAVAPBIMR-CHWSQXEVSA-N 1 0 290.363 2.237 10 0 CEAERO C[NH2+]CCc1c(C)nn(CCC[C@@H]2CCCO2)c1C ZINC000087278206 179407319 /nfs/dbraw/zinc/40/73/19/179407319.db2.gz IFYVQXZBYGXTJX-CQSZACIVSA-N 1 0 265.401 2.221 10 0 CEAERO CC(C)(C)SCc1nc(C[NH2+]C2CC2)cc(=O)[nH]1 ZINC000087120849 179395918 /nfs/dbraw/zinc/39/59/18/179395918.db2.gz FVXJQVVWZZTVRU-UHFFFAOYSA-N 1 0 267.398 2.054 10 0 CEAERO CCC[NH2+]Cc1cc(=O)[nH]c(CSCC(C)C)n1 ZINC000087126387 179396282 /nfs/dbraw/zinc/39/62/82/179396282.db2.gz QLODJNTZNDEDFD-UHFFFAOYSA-N 1 0 269.414 2.159 10 0 CEAERO COCC[C@@H](O)[C@@H](C[NH3+])c1c(Cl)cccc1Cl ZINC000087348234 179414987 /nfs/dbraw/zinc/41/49/87/179414987.db2.gz IIOYMJHNTCJTGB-LDYMZIIASA-N 1 0 278.179 2.433 10 0 CEAERO CCC[C@@H](C[NH3+])NC(=O)c1cccc(OC(C)C)c1 ZINC000087387167 179419008 /nfs/dbraw/zinc/41/90/08/179419008.db2.gz HOKRJZVVVPDMKB-ZDUSSCGKSA-N 1 0 264.369 2.331 10 0 CEAERO CC(C)(C)c1cc(CN2CCC[N@@H+]3CCC[C@H]3C2)[nH]n1 ZINC000067605713 362913031 /nfs/dbraw/zinc/91/30/31/362913031.db2.gz KWAAYNDLHXWWEV-AWEZNQCLSA-N 1 0 276.428 2.377 10 0 CEAERO C[C@H]([NH3+])C1CCN(C(=O)c2snnc2C(C)(C)C)CC1 ZINC000087455795 179428487 /nfs/dbraw/zinc/42/84/87/179428487.db2.gz HMQJMLRJVRYBCU-VIFPVBQESA-N 1 0 296.440 2.035 10 0 CEAERO Cc1cccc(NC(=O)CCCSC(N)=[NH2+])c1 ZINC000087464372 179429835 /nfs/dbraw/zinc/42/98/35/179429835.db2.gz VUULCHIJGGKJRD-UHFFFAOYSA-N 1 0 251.355 2.340 10 0 CEAERO CC[NH2+][C@@H]1CCC[C@@H]1c1nc(C2CCOCC2)no1 ZINC000087812829 179490365 /nfs/dbraw/zinc/49/03/65/179490365.db2.gz XKVMAHBHOVDUSP-NWDGAFQWSA-N 1 0 265.357 2.209 10 0 CEAERO C[C@H](CC[NH3+])C(=O)NCc1cccc(Br)c1 ZINC000087636000 179460424 /nfs/dbraw/zinc/46/04/24/179460424.db2.gz LTHPRXRCCKHUOM-SECBINFHSA-N 1 0 285.185 2.050 10 0 CEAERO CCc1nsc(N(CC[NH3+])Cc2ccccc2)n1 ZINC000087639674 179461118 /nfs/dbraw/zinc/46/11/18/179461118.db2.gz TTYSIDADGZJJNE-UHFFFAOYSA-N 1 0 262.382 2.066 10 0 CEAERO CCCc1nsc(N2CCCC[C@@H]2C[NH2+]C)n1 ZINC000087642578 179462647 /nfs/dbraw/zinc/46/26/47/179462647.db2.gz FBNSIYUGWPFQPY-SNVBAGLBSA-N 1 0 254.403 2.069 10 0 CEAERO COCC[NH2+]C[C@@H]1CCCCN1c1nc(C(C)C)ns1 ZINC000087643851 179463382 /nfs/dbraw/zinc/46/33/82/179463382.db2.gz PRIVGEKSVWVQRC-LBPRGKRZSA-N 1 0 298.456 2.256 10 0 CEAERO CC(C)c1nsc(N2CCC[C@H]2CCC[NH3+])n1 ZINC000087644494 179463650 /nfs/dbraw/zinc/46/36/50/179463650.db2.gz OQLHCHJLLGHJDA-SNVBAGLBSA-N 1 0 254.403 2.369 10 0 CEAERO C[C@H]([NH3+])CCC[C@H](C)C(=O)N(C)Cc1ccncc1 ZINC000087684799 179470143 /nfs/dbraw/zinc/47/01/43/179470143.db2.gz CJTNFOLGOQJTAW-STQMWFEESA-N 1 0 263.385 2.194 10 0 CEAERO Cc1csc(CNC(=O)[C@H](C)CCC[C@H](C)[NH3+])n1 ZINC000087697596 179472388 /nfs/dbraw/zinc/47/23/88/179472388.db2.gz YAHQHGRLXKVNEF-ZJUUUORDSA-N 1 0 269.414 2.221 10 0 CEAERO CC(C)(CC[NH3+])CCC(=O)NCCCOCc1ccco1 ZINC000087699084 179472898 /nfs/dbraw/zinc/47/28/98/179472898.db2.gz CTRORBOEMFXRLF-UHFFFAOYSA-N 1 0 296.411 2.458 10 0 CEAERO CCC[C@H](COC)NC(=O)[C@@H](C)CCC[C@@H](C)[NH3+] ZINC000087703648 179473549 /nfs/dbraw/zinc/47/35/49/179473549.db2.gz IUHVEWFVZBCFNC-YNEHKIRRSA-N 1 0 258.406 2.071 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1sccc1Cl ZINC000087722116 179477252 /nfs/dbraw/zinc/47/72/52/179477252.db2.gz WEVVSIRMXHSSHD-APPZFPTMSA-N 1 0 258.774 2.259 10 0 CEAERO CC(C)Oc1cc(N2C[C@H](C)[NH2+][C@@H](C)C2)ccc1NC=O ZINC000616220731 348462281 /nfs/dbraw/zinc/46/22/81/348462281.db2.gz TUTBSCUDRZOOAH-STQMWFEESA-N 1 0 291.395 2.229 10 0 CEAERO C[NH2+][C@H](Cc1ccc(OC)c(F)c1)[C@@H]1CCCO1 ZINC000087802153 179487975 /nfs/dbraw/zinc/48/79/75/179487975.db2.gz GMTYFANLCUPMTI-OCCSQVGLSA-N 1 0 253.317 2.144 10 0 CEAERO Cc1nc([C@H]2CCCO2)nc(C)c1CC[NH2+]C1CC1 ZINC000087803443 179488196 /nfs/dbraw/zinc/48/81/96/179488196.db2.gz OBHFAJRXPMIXNW-CQSZACIVSA-N 1 0 261.369 2.239 10 0 CEAERO C[NH2+][C@H](C)[C@@H](c1nc([C@@H]2CCCO2)no1)C(C)C ZINC000087803655 179488260 /nfs/dbraw/zinc/48/82/60/179488260.db2.gz XTNJGCGZLIBPLH-VWYCJHECSA-N 1 0 253.346 2.269 10 0 CEAERO COc1ccc(C)cc1CN(C)C(=O)[C@@H](C[NH3+])C(C)C ZINC000087532636 179441802 /nfs/dbraw/zinc/44/18/02/179441802.db2.gz ZXKJTPOIPHIJLY-AWEZNQCLSA-N 1 0 278.396 2.193 10 0 CEAERO C[NH2+][C@@H](CC(=O)OC)c1ccccc1OC(F)(F)F ZINC000087552806 179445335 /nfs/dbraw/zinc/44/53/35/179445335.db2.gz JFFPQAYNMBOMPV-VIFPVBQESA-N 1 0 277.242 2.409 10 0 CEAERO CC[NH2+][C@@](C)(CCO)CCc1ccc2c(c1)OCO2 ZINC000087564288 179446671 /nfs/dbraw/zinc/44/66/71/179446671.db2.gz NJGWCKNVBMHRLU-OAHLLOKOSA-N 1 0 265.353 2.099 10 0 CEAERO CC(=O)[C@@H]1CCCC[N@H+](CCNC(=O)OC(C)(C)C)C1 ZINC000616631223 348540988 /nfs/dbraw/zinc/54/09/88/348540988.db2.gz ZXFVZJMXAQOFQF-CYBMUJFWSA-N 1 0 284.400 2.202 10 0 CEAERO CC(C)[N@@H+]1CCOC[C@H]1c1cccc2nnccc21 ZINC000616641821 348544381 /nfs/dbraw/zinc/54/43/81/348544381.db2.gz RIGLMSTVJJGUTN-HNNXBMFYSA-N 1 0 257.337 2.412 10 0 CEAERO NC(=O)c1ccccc1[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000616643160 348544884 /nfs/dbraw/zinc/54/48/84/348544884.db2.gz XBNSADFWMKPNFK-KRWDZBQOSA-N 1 0 296.370 2.359 10 0 CEAERO Cc1c(OCC2CC2)nc(C(C)(C)C)[nH+]c1NN ZINC000087919170 179523345 /nfs/dbraw/zinc/52/33/45/179523345.db2.gz JTJDBVPNPRBMHP-UHFFFAOYSA-N 1 0 250.346 2.157 10 0 CEAERO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](C(C)(C)C)CCCO1 ZINC000616650092 348547711 /nfs/dbraw/zinc/54/77/11/348547711.db2.gz STIDCPVSVKJMAA-GFCCVEGCSA-N 1 0 286.416 2.401 10 0 CEAERO c1cn([C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cn1 ZINC000616653454 348549161 /nfs/dbraw/zinc/54/91/61/348549161.db2.gz WPBBUTFYDVVBHQ-HNNXBMFYSA-N 1 0 257.337 2.304 10 0 CEAERO OCC[N@@H+]1CCCC[C@@H](c2cccc3ccnnc32)C1 ZINC000616654792 348550048 /nfs/dbraw/zinc/55/00/48/348550048.db2.gz MLACSQWAKUFJQR-CQSZACIVSA-N 1 0 271.364 2.192 10 0 CEAERO CCCC(=O)N1CC[C@H](c2cccc(F)c2)[C@@H]([NH3+])C1 ZINC000616571171 348524414 /nfs/dbraw/zinc/52/44/14/348524414.db2.gz POYFHQVMSZSFJH-KGLIPLIRSA-N 1 0 264.344 2.269 10 0 CEAERO CCCN(CC1CC1)c1nc(NN)[nH+]cc1Cl ZINC000087864579 179505240 /nfs/dbraw/zinc/50/52/40/179505240.db2.gz HQWGNNVPNAMPDF-UHFFFAOYSA-N 1 0 255.753 2.042 10 0 CEAERO Cc1c[nH+]c(NN)nc1Nc1cccc(F)c1F ZINC000087863784 179505305 /nfs/dbraw/zinc/50/53/05/179505305.db2.gz KLGSCSKHRQSULL-UHFFFAOYSA-N 1 0 251.240 2.092 10 0 CEAERO [NH3+]CCN1c2ccccc2NC[C@@H]1c1ccccc1CCO ZINC000616585794 348527015 /nfs/dbraw/zinc/52/70/15/348527015.db2.gz NXBDCZUIKLICDJ-GOSISDBHSA-N 1 0 297.402 2.153 10 0 CEAERO CC[N@@H+]1CCOC[C@H](c2cccc(NC(C)=O)c2)C1 ZINC000616592141 348527450 /nfs/dbraw/zinc/52/74/50/348527450.db2.gz BXGNYPOTAQVBOL-CQSZACIVSA-N 1 0 262.353 2.081 10 0 CEAERO CCOC(=O)c1ccc([C@H]2CC[N@H+](C)CCO2)cc1 ZINC000616593054 348527549 /nfs/dbraw/zinc/52/75/49/348527549.db2.gz HHBIJCYWVRUYPH-CQSZACIVSA-N 1 0 263.337 2.257 10 0 CEAERO CC(C)(C)[N@@H+]1CCOCC[C@H]1c1ccc(C(N)=O)cc1 ZINC000616597676 348528912 /nfs/dbraw/zinc/52/89/12/348528912.db2.gz HXVUQRGGQGBTIC-AWEZNQCLSA-N 1 0 276.380 2.347 10 0 CEAERO CC(C)[N@@H+]1CCOCC[C@H]1CNC(=O)OC(C)(C)C ZINC000616598308 348529279 /nfs/dbraw/zinc/52/92/79/348529279.db2.gz ONXPEGGPSOIXCQ-LBPRGKRZSA-N 1 0 272.389 2.010 10 0 CEAERO [NH3+]CCN1CCCOC[C@@H]1c1ccc(Cl)cc1 ZINC000616599001 348530412 /nfs/dbraw/zinc/53/04/12/348530412.db2.gz GQUKVIVHEWHPNC-CYBMUJFWSA-N 1 0 254.761 2.062 10 0 CEAERO CC(C)[N@@H+]1CCCOC[C@@H]1c1ccccc1CCO ZINC000616599990 348530423 /nfs/dbraw/zinc/53/04/23/348530423.db2.gz VRQWSRJDDZYWKZ-MRXNPFEDSA-N 1 0 263.381 2.393 10 0 CEAERO CCOC(=O)N1CC[NH2+]C[C@@H]1c1cccc2ccncc21 ZINC000616603777 348532122 /nfs/dbraw/zinc/53/21/22/348532122.db2.gz QNDZJCFXQRENNJ-OAHLLOKOSA-N 1 0 285.347 2.338 10 0 CEAERO CC[C@H](C)CN(CC)c1nc(NN)[nH+]cc1Cl ZINC000087893514 179514878 /nfs/dbraw/zinc/51/48/78/179514878.db2.gz BBSHVXQWARHYPW-QMMMGPOBSA-N 1 0 257.769 2.288 10 0 CEAERO CCc1c(NC[C@@]2(C)CCCS2)nc[nH+]c1NN ZINC000087896496 179515566 /nfs/dbraw/zinc/51/55/66/179515566.db2.gz PUHTUEQJQAHRLE-GFCCVEGCSA-N 1 0 267.402 2.022 10 0 CEAERO C[NH2+][C@H](c1cnccc1N)[C@H]1COc2ccccc2C1 ZINC000088021444 179536519 /nfs/dbraw/zinc/53/65/19/179536519.db2.gz AWWIFDNXQISGDN-WBMJQRKESA-N 1 0 269.348 2.176 10 0 CEAERO C[C@@H]([NH3+])Cc1ccnc([C@@H]2COc3ccccc3C2)n1 ZINC000088040429 179537634 /nfs/dbraw/zinc/53/76/34/179537634.db2.gz SDQHMCMWGLHZDL-YPMHNXCESA-N 1 0 269.348 2.085 10 0 CEAERO C[C@H]1CN(CCSc2ccccc2F)CC[NH2+]1 ZINC000088060492 179543413 /nfs/dbraw/zinc/54/34/13/179543413.db2.gz GXHSTNVJTVCLIT-NSHDSACASA-N 1 0 254.374 2.212 10 0 CEAERO C[C@@H]([NH3+])C[S@](=O)Cc1cccc(Br)c1 ZINC000088069777 179544250 /nfs/dbraw/zinc/54/42/50/179544250.db2.gz KORUNZOOMRBIEI-XLKFXECMSA-N 1 0 276.199 2.045 10 0 CEAERO C[C@@H](C[NH3+])C[S@](=O)Cc1c(F)cccc1Cl ZINC000088089316 179547223 /nfs/dbraw/zinc/54/72/23/179547223.db2.gz IUYKWDBTLLOANW-ZKANADHPSA-N 1 0 263.765 2.323 10 0 CEAERO c1cc(CCOC[C@H]2CCCC[NH2+]2)cc2c1OCC2 ZINC000088102927 179549148 /nfs/dbraw/zinc/54/91/48/179549148.db2.gz VBFXOJRMZJDBNN-OAHLLOKOSA-N 1 0 261.365 2.323 10 0 CEAERO [NH3+][C@H]1CCCc2c(OC[C@H](O)C(F)(F)F)cccc21 ZINC000088150990 179557732 /nfs/dbraw/zinc/55/77/32/179557732.db2.gz NLBHFPVOHLDGGL-JQWIXIFHSA-N 1 0 275.270 2.325 10 0 CEAERO C[C@H](O)C[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000088186818 179560876 /nfs/dbraw/zinc/56/08/76/179560876.db2.gz CKLFDVNMTOQPGE-BQBZGAKWSA-N 1 0 264.188 2.324 10 0 CEAERO CC[N@@H+]1CCOC[C@H](c2cccc3nnccc32)C1 ZINC000616662056 348552718 /nfs/dbraw/zinc/55/27/18/348552718.db2.gz ZTYQIBSPMGDECD-GFCCVEGCSA-N 1 0 257.337 2.066 10 0 CEAERO CC(C)[C@@H]1COCC[N@H+](CCNC(=O)OC(C)(C)C)C1 ZINC000616662395 348553516 /nfs/dbraw/zinc/55/35/16/348553516.db2.gz AMJMUOSLUYYTHY-ZDUSSCGKSA-N 1 0 286.416 2.116 10 0 CEAERO c1nc([C@H]2COCC[N@@H+](Cc3ccccc3)C2)c[nH]1 ZINC000616664111 348554799 /nfs/dbraw/zinc/55/47/99/348554799.db2.gz ULLHJFVVDUZOSL-CQSZACIVSA-N 1 0 257.337 2.026 10 0 CEAERO Nc1ccc([C@H]2Cc3ccccc3N(CC[NH3+])C2)cc1 ZINC000616672241 348555770 /nfs/dbraw/zinc/55/57/70/348555770.db2.gz LPGWXRDXGKVHQV-HNNXBMFYSA-N 1 0 267.376 2.374 10 0 CEAERO NC(=O)c1cccc([C@@H]2CCN(CC[NH3+])c3ccccc32)c1 ZINC000616675038 348557540 /nfs/dbraw/zinc/55/75/40/348557540.db2.gz MZBHVNUMZVLNPY-HNNXBMFYSA-N 1 0 295.386 2.086 10 0 CEAERO OCC[N@@H+]1CCc2ccccc2[C@H]1c1cccc(CO)c1 ZINC000616679886 348559104 /nfs/dbraw/zinc/55/91/04/348559104.db2.gz ZXLJGIDHGPWDLN-GOSISDBHSA-N 1 0 283.371 2.119 10 0 CEAERO C[C@@H]1CC[C@H](C(=O)N(C)CCC(F)(F)F)C[C@@H]1[NH3+] ZINC000088438821 179602141 /nfs/dbraw/zinc/60/21/41/179602141.db2.gz MGFGKWUGYXNNRP-UTLUCORTSA-N 1 0 266.307 2.161 10 0 CEAERO CN(CCC(F)(F)F)C(=O)[C@H]1CCC[C@@H](C[NH3+])C1 ZINC000088438962 179602610 /nfs/dbraw/zinc/60/26/10/179602610.db2.gz RXSPJUGBBNIPPO-ZJUUUORDSA-N 1 0 266.307 2.162 10 0 CEAERO Cc1nn(C)c(C)c1OCC[NH2+]C1CCCCC1 ZINC000088453987 179607483 /nfs/dbraw/zinc/60/74/83/179607483.db2.gz YXWFNFDLPGAYSY-UHFFFAOYSA-N 1 0 251.374 2.338 10 0 CEAERO CC(C)[C@H](C)N(C)C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000104196610 185925104 /nfs/dbraw/zinc/92/51/04/185925104.db2.gz IDZXAGGBMSGNIN-GXSJLCMTSA-N 1 0 266.307 2.031 10 0 CEAERO CCC[C@H](C)NC(=O)[C@@H](C)N1CC[NH2+]CC12CCCCC2 ZINC000088396410 179590896 /nfs/dbraw/zinc/59/08/96/179590896.db2.gz RNOQVULHJUIGGH-LSDHHAIUSA-N 1 0 295.471 2.288 10 0 CEAERO CC(C)[NH2+]Cc1cccc2c1ccn2Cc1ncnn1C ZINC000088580912 179628816 /nfs/dbraw/zinc/62/88/16/179628816.db2.gz SFEUOPFAFVUMGS-UHFFFAOYSA-N 1 0 283.379 2.316 10 0 CEAERO CC[NH2+]C[C@H](Cc1ncnn1C)Cc1cccc(C)c1 ZINC000088583086 179630213 /nfs/dbraw/zinc/63/02/13/179630213.db2.gz VMEOQBLTCFHMBU-HNNXBMFYSA-N 1 0 272.396 2.134 10 0 CEAERO CCn1ncnc1COc1cccc2c1CC[C@@H]2[NH2+]C ZINC000088585716 179631507 /nfs/dbraw/zinc/63/15/07/179631507.db2.gz YTTFVEKWZPDNOM-ZDUSSCGKSA-N 1 0 272.352 2.084 10 0 CEAERO CC[NH2+][C@@H](Cc1ncnn1CC)Cc1ccccc1 ZINC000088610358 179637966 /nfs/dbraw/zinc/63/79/66/179637966.db2.gz VBZYKXMNYJTFOG-CQSZACIVSA-N 1 0 258.369 2.061 10 0 CEAERO CC[NH2+][C@H](Cc1ncnn1C(C)C)Cc1ccccn1 ZINC000088610667 179638131 /nfs/dbraw/zinc/63/81/31/179638131.db2.gz QVJKFOUTJGQBPU-AWEZNQCLSA-N 1 0 273.384 2.017 10 0 CEAERO CCC[NH2+][C@@H](CSC)Cc1ncnn1CC(C)C ZINC000088611868 179638621 /nfs/dbraw/zinc/63/86/21/179638621.db2.gz BLCISNABZBACDQ-GFCCVEGCSA-N 1 0 270.446 2.208 10 0 CEAERO CCCn1ncnc1COc1ccc(C)cc1CC[NH3+] ZINC000088617593 179640663 /nfs/dbraw/zinc/64/06/63/179640663.db2.gz VZWJXSLOALPSEQ-UHFFFAOYSA-N 1 0 274.368 2.077 10 0 CEAERO CCCn1ncnc1CN1C[C@H](C(C)(C)C)[NH2+]CC[C@@H]1C ZINC000088625988 179642921 /nfs/dbraw/zinc/64/29/21/179642921.db2.gz RRZVZMWTUAJQAB-UONOGXRCSA-N 1 0 293.459 2.287 10 0 CEAERO CCCn1ncnc1CN1C[C@H]([C@@H](C)CC)[NH2+]CC[C@@H]1C ZINC000088625922 179642985 /nfs/dbraw/zinc/64/29/85/179642985.db2.gz AGRWQBOGHFJDKA-SOUVJXGZSA-N 1 0 293.459 2.287 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(Cc2ncnn2C(C)C)CCC[NH2+]1 ZINC000088625811 179643193 /nfs/dbraw/zinc/64/31/93/179643193.db2.gz AXCRPPWENKJBCP-KGLIPLIRSA-N 1 0 279.432 2.069 10 0 CEAERO Cc1nc(Cl)c(NC[C@@H]2CC[N@@H+](C)C2)nc1C ZINC000088496736 179614146 /nfs/dbraw/zinc/61/41/46/179614146.db2.gz YKKRGXICKLXMIB-JTQLQIEISA-N 1 0 254.765 2.110 10 0 CEAERO C[C@@]1(C2CC2)CN(Cc2ccncc2Cl)CC[NH2+]1 ZINC000088791273 179672818 /nfs/dbraw/zinc/67/28/18/179672818.db2.gz XZIINHUZOKPTNW-AWEZNQCLSA-N 1 0 265.788 2.309 10 0 CEAERO CC[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccccc2C)C1 ZINC000088716882 179657727 /nfs/dbraw/zinc/65/77/27/179657727.db2.gz DCPNQCGAKDPCEP-CQSZACIVSA-N 1 0 296.436 2.005 10 0 CEAERO CC[NH+](CC)CCSc1cc(C(=O)NC)ccc1N ZINC000088733681 179660593 /nfs/dbraw/zinc/66/05/93/179660593.db2.gz IZRDOCODNSTIPN-UHFFFAOYSA-N 1 0 281.425 2.062 10 0 CEAERO CCc1nc(CC)n([C@H](c2ccccc2OC)[C@@H](C)[NH3+])n1 ZINC000088739602 179661955 /nfs/dbraw/zinc/66/19/55/179661955.db2.gz UQTMKNNLOXIEPW-BZNIZROVSA-N 1 0 288.395 2.348 10 0 CEAERO CCc1nc(CC)n([C@@H](c2ccncc2)[C@H]([NH3+])CC)n1 ZINC000088739736 179662034 /nfs/dbraw/zinc/66/20/34/179662034.db2.gz MYNGIWBJIPQXAR-DOMZBBRYSA-N 1 0 273.384 2.125 10 0 CEAERO CCc1nc(CC)n(Cc2cc(C[NH3+])ccc2F)n1 ZINC000088740286 179662338 /nfs/dbraw/zinc/66/23/38/179662338.db2.gz RHHLALPSFLVQBV-UHFFFAOYSA-N 1 0 262.332 2.049 10 0 CEAERO CCC[NH2+][C@](C)(CO)C[C@H](C)n1nc(CC)nc1CC ZINC000088746308 179663414 /nfs/dbraw/zinc/66/34/14/179663414.db2.gz ZGKKAXPNQCUEBK-WFASDCNBSA-N 1 0 282.432 2.105 10 0 CEAERO CCC[NH2+]C[C@@H](C)S(=O)(=O)NC1(C)CCCCC1 ZINC000089013359 179691258 /nfs/dbraw/zinc/69/12/58/179691258.db2.gz SDRCBXSNTGZROM-GFCCVEGCSA-N 1 0 276.446 2.017 10 0 CEAERO O=C(CCC(F)(F)F)N1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000088833017 179679253 /nfs/dbraw/zinc/67/92/53/179679253.db2.gz WNUITECCAMFLKI-GHMZBOCLSA-N 1 0 278.318 2.320 10 0 CEAERO C[C@@H](c1nc2cnccc2n1C(C)(C)C)N1CC[NH2+]CC1 ZINC000088866800 179684705 /nfs/dbraw/zinc/68/47/05/179684705.db2.gz QMQHKTDZTSQDKT-LBPRGKRZSA-N 1 0 287.411 2.153 10 0 CEAERO CN(C(=O)c1ccc2c(c1)CCC2)[C@H]1CCC[C@H]1C[NH3+] ZINC000089110853 179705853 /nfs/dbraw/zinc/70/58/53/179705853.db2.gz TTWJIQJDHBIKOZ-HOTGVXAUSA-N 1 0 272.392 2.375 10 0 CEAERO CCC[NH2+]CCCCS(=O)(=O)N1C[C@H](C)CC[C@@H]1C ZINC000089050498 179693486 /nfs/dbraw/zinc/69/34/86/179693486.db2.gz ACEXSDQVIATRRK-KGLIPLIRSA-N 1 0 290.473 2.216 10 0 CEAERO Cc1ccc(C(N)=O)c(N(C)[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000089133320 179714405 /nfs/dbraw/zinc/71/44/05/179714405.db2.gz HCKGRYWJEWBPRS-OCCSQVGLSA-N 1 0 275.396 2.048 10 0 CEAERO CC(C)N(C)c1nc2sccn2c1C[C@H](C)[NH3+] ZINC000104260184 185947330 /nfs/dbraw/zinc/94/73/30/185947330.db2.gz HCMZAKINIVQEMF-VIFPVBQESA-N 1 0 252.387 2.130 10 0 CEAERO CCN(C(=O)c1ccc2c(c1)CCO2)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089114345 179708250 /nfs/dbraw/zinc/70/82/50/179708250.db2.gz XXKWSHIQHVENBT-CABCVRRESA-N 1 0 288.391 2.211 10 0 CEAERO CCSc1nc2sccn2c1C[NH2+]CCOC ZINC000104290788 185956699 /nfs/dbraw/zinc/95/66/99/185956699.db2.gz QBKJOVZWDXRVNQ-UHFFFAOYSA-N 1 0 271.411 2.244 10 0 CEAERO CCn1nc(CC2(O)C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc21 ZINC000089176118 179741842 /nfs/dbraw/zinc/74/18/42/179741842.db2.gz BSLHPVOTBAGLGT-MPYYAJLASA-N 1 0 285.391 2.244 10 0 CEAERO CC[NH2+][C@@H](COC)Cc1nn(CC)c2ccccc12 ZINC000089177633 179742993 /nfs/dbraw/zinc/74/29/93/179742993.db2.gz VNOCEEOLCHWHGX-GFCCVEGCSA-N 1 0 261.369 2.223 10 0 CEAERO CC[NH2+]C[C@]1(Cc2nn(C)c3ccccc23)CCOC1 ZINC000089179121 179743335 /nfs/dbraw/zinc/74/33/35/179743335.db2.gz JDGPBPHDRWQGPY-MRXNPFEDSA-N 1 0 273.380 2.132 10 0 CEAERO C[C@H](NCc1ccn(Cc2ccccc2)n1)[C@@H]1CC[NH2+]C1 ZINC000400509571 233179370 /nfs/dbraw/zinc/17/93/70/233179370.db2.gz FEKAPIUSMXMSHP-GOEBONIOSA-N 1 0 284.407 2.019 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCc1ccc(F)c(Cl)c1 ZINC000089461697 539719194 /nfs/dbraw/zinc/71/91/94/539719194.db2.gz YUXGVTPEXDZCCQ-MNOVXSKESA-N 1 0 284.762 2.470 10 0 CEAERO CCc1cc(CC2(C[NH3+])Cc3ccccc3C2)n(C)n1 ZINC000089230937 179759064 /nfs/dbraw/zinc/75/90/64/179759064.db2.gz MCEUPEFCROJQLN-UHFFFAOYSA-N 1 0 269.392 2.269 10 0 CEAERO CCC[NH2+]C[C@@H]1CCCN1Cc1csc(C)n1 ZINC000089234406 179759446 /nfs/dbraw/zinc/75/94/46/179759446.db2.gz AXEZZSFOCIWBMJ-ZDUSSCGKSA-N 1 0 253.415 2.416 10 0 CEAERO CC[N@@H+]1CCC[C@@](O)(Cc2csc(C)n2)CC1 ZINC000089249046 179760334 /nfs/dbraw/zinc/76/03/34/179760334.db2.gz SATLODJFDVLENH-ZDUSSCGKSA-N 1 0 254.399 2.231 10 0 CEAERO CC[NH2+][C@H](Cc1c(Cl)c(C)nn1C)C[C@H]1CCCO1 ZINC000089250756 179760861 /nfs/dbraw/zinc/76/08/61/179760861.db2.gz ZCWNMIHUHVRFAD-NWDGAFQWSA-N 1 0 285.819 2.472 10 0 CEAERO C[C@H]([NH3+])[C@@H](Sc1nnc(N(C)C)s1)c1ccco1 ZINC000104308720 185961970 /nfs/dbraw/zinc/96/19/70/185961970.db2.gz BVEBOTBAPXGCRB-IONNQARKSA-N 1 0 284.410 2.378 10 0 CEAERO Cc1cc(Cn2cc(CC[NH3+])c3ccccc32)n(C)n1 ZINC000089206838 179754309 /nfs/dbraw/zinc/75/43/09/179754309.db2.gz YVDHBRYRBAYSAF-UHFFFAOYSA-N 1 0 268.364 2.233 10 0 CEAERO CCc1cc(CN2CC[NH2+]C3(CCCC3)C2)n(CC)n1 ZINC000089208522 179754593 /nfs/dbraw/zinc/75/45/93/179754593.db2.gz XYKKPRSVQCQKED-UHFFFAOYSA-N 1 0 276.428 2.183 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@H](C)CN1Cc1cc(C)nn1CC ZINC000089208711 179754697 /nfs/dbraw/zinc/75/46/97/179754697.db2.gz MVURFKDQEASORM-UONOGXRCSA-N 1 0 264.417 2.174 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1Cc1cc(C)nn1C ZINC000089209989 179755169 /nfs/dbraw/zinc/75/51/69/179755169.db2.gz RIEMQVPODAZRCZ-DZGCQCFKSA-N 1 0 278.444 2.327 10 0 CEAERO COc1ccc(N(C)C(=O)[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089461202 539718810 /nfs/dbraw/zinc/71/88/10/539718810.db2.gz XMRXCSHBFJUVPM-FZMZJTMJSA-N 1 0 262.353 2.033 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCCOC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400346928 233176390 /nfs/dbraw/zinc/17/63/90/233176390.db2.gz KUDMXXMFUIHDMG-MELADBBJSA-N 1 0 298.427 2.401 10 0 CEAERO CC[NH2+]C[C@@]1(Cc2c(Cl)c(CC)nn2C)CCOC1 ZINC000089332093 179770789 /nfs/dbraw/zinc/77/07/89/179770789.db2.gz HKHNPXINEIOOGF-AWEZNQCLSA-N 1 0 285.819 2.195 10 0 CEAERO CCn1nc(C)c(Cl)c1C[NH2+]C[C@H]1CCCO1 ZINC000089276201 179763921 /nfs/dbraw/zinc/76/39/21/179763921.db2.gz YKEDOTJKQKCOKA-SNVBAGLBSA-N 1 0 257.765 2.133 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1C(=O)NCc1cccs1 ZINC000089387569 179778058 /nfs/dbraw/zinc/77/80/58/179778058.db2.gz XPLLFPYJOAITPJ-CMPLNLGQSA-N 1 0 252.383 2.129 10 0 CEAERO C[C@H](NC(=O)[C@H]1CCCC[C@@H]1C[NH3+])c1ccco1 ZINC000089388002 179778370 /nfs/dbraw/zinc/77/83/70/179778370.db2.gz DQQAHQZOUFXZAW-TUAOUCFPSA-N 1 0 250.342 2.222 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1cccnc1Cl ZINC000089452293 179792823 /nfs/dbraw/zinc/79/28/23/179792823.db2.gz ZAEYVNFKOAGRMN-BDAKNGLRSA-N 1 0 253.733 2.049 10 0 CEAERO CCOc1ccc(CN(C)C(=O)[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089455150 179794317 /nfs/dbraw/zinc/79/43/17/179794317.db2.gz LXULDJHHDHOZOJ-ZBFHGGJFSA-N 1 0 290.407 2.419 10 0 CEAERO COc1ccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])cc1C ZINC000089460565 179795839 /nfs/dbraw/zinc/79/58/39/179795839.db2.gz AVWKKJAPUGITGS-AAEUAGOBSA-N 1 0 262.353 2.317 10 0 CEAERO NC(=O)c1ccc(COC[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000089535452 179812281 /nfs/dbraw/zinc/81/22/81/179812281.db2.gz HYUVHXDRZBSZJM-LSDHHAIUSA-N 1 0 276.380 2.067 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1COCC(=O)Nc1ccccc1 ZINC000089537403 179812917 /nfs/dbraw/zinc/81/29/17/179812917.db2.gz KYHDLQIJUUEYOV-STQMWFEESA-N 1 0 262.353 2.017 10 0 CEAERO Cc1ccc(C(=O)NC[C@@H]2CCC[C@H]2C[NH3+])c(C)c1 ZINC000089500560 179804891 /nfs/dbraw/zinc/80/48/91/179804891.db2.gz IYMPKXRNSHBGCQ-KBPBESRZSA-N 1 0 260.381 2.408 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1CNC(=O)c1cccc(F)c1F ZINC000089500651 179804936 /nfs/dbraw/zinc/80/49/36/179804936.db2.gz KHVWMZILTMRTTA-NXEZZACHSA-N 1 0 268.307 2.070 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@@H]1CNC(=O)CCOc1ccccc1 ZINC000089530208 179810284 /nfs/dbraw/zinc/81/02/84/179810284.db2.gz JLLIEZRMNSVLMH-HUUCEWRRSA-N 1 0 290.407 2.337 10 0 CEAERO CCOC(=O)[C@@H](C1CCC(C)CC1)N1CCC[NH2+]CC1 ZINC000089577609 179822192 /nfs/dbraw/zinc/82/21/92/179822192.db2.gz CSDJQDZBXKRIFC-YMAMQOFZSA-N 1 0 282.428 2.040 10 0 CEAERO C[C@@H](NC(=O)C1C[NH2+]C1)c1ccc(Cl)cc1Cl ZINC000090035538 179908968 /nfs/dbraw/zinc/90/89/68/179908968.db2.gz BZUOYAJNRDMBBK-SSDOTTSWSA-N 1 0 273.163 2.390 10 0 CEAERO CCc1cc(-c2nc([C@]3([NH3+])CCC[C@H](C)C3)no2)n(C)n1 ZINC000090127812 179918679 /nfs/dbraw/zinc/91/86/79/179918679.db2.gz BIQMOHPFDRBDBS-BONVTDFDSA-N 1 0 289.383 2.397 10 0 CEAERO CCc1cc(C(=O)NC2(C[NH3+])CCC(C)CC2)n(CC)n1 ZINC000090139323 179919065 /nfs/dbraw/zinc/91/90/65/179919065.db2.gz PANOQMPHLIMKKR-UHFFFAOYSA-N 1 0 292.427 2.103 10 0 CEAERO COc1ccccc1NC(=O)C[NH2+]C[C@@](C)(O)CC(C)C ZINC000090272396 179944614 /nfs/dbraw/zinc/94/46/14/179944614.db2.gz AOYSWOLWMRCYPO-INIZCTEOSA-N 1 0 294.395 2.020 10 0 CEAERO CCCN(Cc1cc(F)c(F)c(F)c1)C1C[NH2+]C1 ZINC000090292473 179951469 /nfs/dbraw/zinc/95/14/69/179951469.db2.gz MAFCABQDEDNHQU-UHFFFAOYSA-N 1 0 258.287 2.288 10 0 CEAERO CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C1C[NH2+]C1 ZINC000090291678 179951485 /nfs/dbraw/zinc/95/14/85/179951485.db2.gz FAXNWXUKBQJVPU-UHFFFAOYSA-N 1 0 292.770 2.184 10 0 CEAERO COc1cccc(Cl)c1CNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000234892114 539742697 /nfs/dbraw/zinc/74/26/97/539742697.db2.gz ZAQBGVUJIPZKFD-MNOVXSKESA-N 1 0 296.798 2.340 10 0 CEAERO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C(=O)c1cccc(C(F)(F)F)c1 ZINC000090324680 179959375 /nfs/dbraw/zinc/95/93/75/179959375.db2.gz MVWNUMUKKGTGRN-IRUJWGPZSA-N 1 0 298.308 2.385 10 0 CEAERO CCCn1c2ccc(C)cc2nc1[C@@H]1COC[C@@H]1[NH3+] ZINC000090363671 179977839 /nfs/dbraw/zinc/97/78/39/179977839.db2.gz OVRTVZQZQQZFTF-NEPJUHHUSA-N 1 0 259.353 2.196 10 0 CEAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000623765408 350106624 /nfs/dbraw/zinc/10/66/24/350106624.db2.gz SOTCSLRTAQMUIF-NWDGAFQWSA-N 1 0 276.163 2.233 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1c1nc2cnccc2n1CCC ZINC000090527282 179997626 /nfs/dbraw/zinc/99/76/26/179997626.db2.gz QXEHICXSNFFAIW-OCCSQVGLSA-N 1 0 288.395 2.323 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)N[C@@H](C)c1ccccc1C ZINC000090543500 180000805 /nfs/dbraw/zinc/00/08/05/180000805.db2.gz VBMYTRYHQOIMIZ-NUEKZKHPSA-N 1 0 290.407 2.187 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)N1CCC2(CCCC2)CC1 ZINC000090545176 180000844 /nfs/dbraw/zinc/00/08/44/180000844.db2.gz LRUZKEPQGOXMCA-HUUCEWRRSA-N 1 0 294.439 2.184 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)N1CCC(CC)(CC)CC1 ZINC000090545172 180000951 /nfs/dbraw/zinc/00/09/51/180000951.db2.gz FHSYTBYUIAITPP-CABCVRRESA-N 1 0 296.455 2.430 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1CN(C)Cc1ccc(C)o1 ZINC000090566136 180005786 /nfs/dbraw/zinc/00/57/86/180005786.db2.gz XVXQRAHXYICIPR-UKRRQHHQSA-N 1 0 266.385 2.034 10 0 CEAERO CC(C)c1cccc(NC(=O)[C@]2(C)COC[C@@H]2[NH3+])c1 ZINC000090582352 180008264 /nfs/dbraw/zinc/00/82/64/180008264.db2.gz HDJMXRFUKTYWNQ-DZGCQCFKSA-N 1 0 262.353 2.112 10 0 CEAERO CC(C)COc1ccccc1NC(=O)[C@]1(C)COC[C@H]1[NH3+] ZINC000090590055 180009964 /nfs/dbraw/zinc/00/99/64/180009964.db2.gz OXZNMWMZTRNHLL-GDBMZVCRSA-N 1 0 292.379 2.024 10 0 CEAERO CC[C@H](C)N(Cc1ccccc1)C(=O)[C@]1(C)COC[C@@H]1[NH3+] ZINC000090590675 180010665 /nfs/dbraw/zinc/01/06/65/180010665.db2.gz WLBWJPXXRQZOMS-JLJPHGGASA-N 1 0 290.407 2.178 10 0 CEAERO C[C@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)NCC1(C)CCCC1 ZINC000104438853 186002028 /nfs/dbraw/zinc/00/20/28/186002028.db2.gz DSBJPQRDLPKPFP-AVGNSLFASA-N 1 0 252.402 2.446 10 0 CEAERO C[C@H](OC[C@H](O)c1ccc(C[NH3+])cc1)C(F)(F)F ZINC000090671980 180020983 /nfs/dbraw/zinc/02/09/83/180020983.db2.gz LEULNQCWENUHPY-KWQFWETISA-N 1 0 263.259 2.146 10 0 CEAERO C[C@H](OCC(=O)Nc1ccccc1C[NH3+])C(F)(F)F ZINC000090671974 180021248 /nfs/dbraw/zinc/02/12/48/180021248.db2.gz KUCDFLRIVGLKEH-QMMMGPOBSA-N 1 0 276.258 2.051 10 0 CEAERO CC(C)[NH2+][C@@](CO)(CO[C@H](C)C(F)(F)F)C1CC1 ZINC000090676032 180022252 /nfs/dbraw/zinc/02/22/52/180022252.db2.gz NULCCLKCJIIINY-KOLCDFICSA-N 1 0 269.307 2.093 10 0 CEAERO COC(=O)c1cc(OC[C@@H]2CCCC[C@@H]2C[NH3+])ccn1 ZINC000090739931 180035170 /nfs/dbraw/zinc/03/51/70/180035170.db2.gz XRKNJQNILWIPMG-NEPJUHHUSA-N 1 0 278.352 2.012 10 0 CEAERO CCC[NH2+][C@H](Cc1cc(OC)ncn1)C(C)(C)C ZINC000090783902 180039637 /nfs/dbraw/zinc/03/96/37/180039637.db2.gz PSAYXMNRAZYRRD-GFCCVEGCSA-N 1 0 251.374 2.442 10 0 CEAERO CCOc1cc(OC[C@H]2CCCC[C@@H]2C[NH3+])ncn1 ZINC000090784574 180040306 /nfs/dbraw/zinc/04/03/06/180040306.db2.gz LWEYGVFJFCHCTR-VXGBXAGGSA-N 1 0 265.357 2.019 10 0 CEAERO CCOc1cc(OC[C@H]2CCCC[C@H]2C[NH3+])nc(C)n1 ZINC000090788109 180041474 /nfs/dbraw/zinc/04/14/74/180041474.db2.gz BQVOYJKPJVGACQ-QWHCGFSZSA-N 1 0 279.384 2.328 10 0 CEAERO CCCN(c1cc(OCC)nc(C)n1)[C@H]1CCC[NH2+]C1 ZINC000090787896 180041567 /nfs/dbraw/zinc/04/15/67/180041567.db2.gz PKGCTSJEFSXRLW-ZDUSSCGKSA-N 1 0 278.400 2.152 10 0 CEAERO CCOc1ncnc(N(CC[NH3+])Cc2ccccc2)c1C ZINC000090789511 180041769 /nfs/dbraw/zinc/04/17/69/180041769.db2.gz HDLMFSPQTQPQJI-UHFFFAOYSA-N 1 0 286.379 2.149 10 0 CEAERO CCOc1ncnc(N(CCC[NH3+])C2CCCC2)c1C ZINC000090789495 180041951 /nfs/dbraw/zinc/04/19/51/180041951.db2.gz IMSWIUMNPNPQJK-UHFFFAOYSA-N 1 0 278.400 2.282 10 0 CEAERO CCOc1ncnc(NC[C@H]2CCCC[C@H]2[NH3+])c1C ZINC000090790167 180042124 /nfs/dbraw/zinc/04/21/24/180042124.db2.gz WCZXPFQEFJCSIX-VXGBXAGGSA-N 1 0 264.373 2.113 10 0 CEAERO CCOc1ncnc(N[C@H]2CCCCC[C@@H]2[NH3+])c1C ZINC000090789621 180042146 /nfs/dbraw/zinc/04/21/46/180042146.db2.gz CEUJJDDQFGQZFB-RYUDHWBXSA-N 1 0 264.373 2.256 10 0 CEAERO CCOc1ncnc(NC[C@@H]2CCCC[C@H]2[NH3+])c1C ZINC000090790166 180042292 /nfs/dbraw/zinc/04/22/92/180042292.db2.gz WCZXPFQEFJCSIX-NWDGAFQWSA-N 1 0 264.373 2.113 10 0 CEAERO COc1ccc2[nH]c(-c3csc(C[NH3+])n3)nc2c1 ZINC000090932865 180066851 /nfs/dbraw/zinc/06/68/51/180066851.db2.gz UBCYLTOBRPZKLH-UHFFFAOYSA-N 1 0 260.322 2.154 10 0 CEAERO COc1ncnc(N[C@@H](C)C[NH+]2CCCCC2)c1C ZINC000090791062 180042757 /nfs/dbraw/zinc/04/27/57/180042757.db2.gz WDRRIGBACPXTLY-NSHDSACASA-N 1 0 264.373 2.080 10 0 CEAERO C[C@@H](C[NH2+][C@@H](C)c1ccnc(Cl)c1)[S@](C)=O ZINC000090843040 180044468 /nfs/dbraw/zinc/04/44/68/180044468.db2.gz MJDKQOWOIOSAAH-OMQMVUIESA-N 1 0 260.790 2.153 10 0 CEAERO CC[NH2+][C@H]1C[C@@H](Oc2c(C)nn(C)c2C)C1(C)C ZINC000090865732 180047790 /nfs/dbraw/zinc/04/77/90/180047790.db2.gz RSDXWAGEZQMIBO-NWDGAFQWSA-N 1 0 251.374 2.192 10 0 CEAERO CC[NH2+]Cc1cccc(S[C@@H]2CCS(=O)(=O)C2)c1 ZINC000090871366 180049818 /nfs/dbraw/zinc/04/98/18/180049818.db2.gz HDCAIOBBCYTVRM-CYBMUJFWSA-N 1 0 285.434 2.075 10 0 CEAERO C[C@@H](CN1CCCCC1)[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000090874412 180049958 /nfs/dbraw/zinc/04/99/58/180049958.db2.gz BPKOKKUHVTZSPA-GOEBONIOSA-N 1 0 274.408 2.454 10 0 CEAERO CC(C)[C@H](CN(C)C)[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000090874405 180050254 /nfs/dbraw/zinc/05/02/54/180050254.db2.gz IJCWUEZQFGTYTE-CABCVRRESA-N 1 0 262.397 2.166 10 0 CEAERO C[C@H](C[NH2+]C[C@@H]1Cc2ccccc2O1)N1CCCCC1 ZINC000090874493 180050273 /nfs/dbraw/zinc/05/02/73/180050273.db2.gz NIGDMZBWNQNZPG-ZBFHGGJFSA-N 1 0 274.408 2.454 10 0 CEAERO C[C@@H](C[NH2+]C[C@@H]1Cc2ccccc2O1)N1CCCCC1 ZINC000090874492 180050343 /nfs/dbraw/zinc/05/03/43/180050343.db2.gz NIGDMZBWNQNZPG-HOCLYGCPSA-N 1 0 274.408 2.454 10 0 CEAERO C[C@@H]1CCCN(C[C@@H]2Cc3ccccc3O2)[C@@H]1C[NH3+] ZINC000090875312 180050879 /nfs/dbraw/zinc/05/08/79/180050879.db2.gz IVRYLCNJODRJAV-VHDGCEQUSA-N 1 0 260.381 2.049 10 0 CEAERO CC[C@H]1CN(C[C@@H]2Cc3ccccc3O2)C(C)(C)C[NH2+]1 ZINC000090878315 180052245 /nfs/dbraw/zinc/05/22/45/180052245.db2.gz IIMLLQQXFZBLJO-GJZGRUSLSA-N 1 0 274.408 2.453 10 0 CEAERO OCC[C@H]1CCC[N@H+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000090876829 180052431 /nfs/dbraw/zinc/05/24/31/180052431.db2.gz IKJAMNKSLAHFQC-HIFRSBDPSA-N 1 0 261.365 2.085 10 0 CEAERO CC(C)C[C@@H](CO)[NH2+]C[C@H]1Cc2cc(F)ccc2O1 ZINC000090892319 180053671 /nfs/dbraw/zinc/05/36/71/180053671.db2.gz CVXRJXBIXYQJMT-UONOGXRCSA-N 1 0 267.344 2.126 10 0 CEAERO O[C@@H](C[NH2+]C[C@H]1Cc2cc(F)ccc2O1)c1ccccc1 ZINC000090892136 180054063 /nfs/dbraw/zinc/05/40/63/180054063.db2.gz FACURIIBOPKFBI-CVEARBPZSA-N 1 0 287.334 2.452 10 0 CEAERO CC(C)[NH2+]CCOC[C@H]1Cc2cc(F)ccc2O1 ZINC000090893702 180054736 /nfs/dbraw/zinc/05/47/36/180054736.db2.gz XMZVOPUKIRCMSX-CYBMUJFWSA-N 1 0 253.317 2.144 10 0 CEAERO CCCN(CC[NH2+]C)C[C@H]1Cc2cc(F)ccc2O1 ZINC000090893492 180055472 /nfs/dbraw/zinc/05/54/72/180055472.db2.gz LQZBDCMWRDWZNH-CQSZACIVSA-N 1 0 266.360 2.061 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](C[NH2+]CC1CCOCC1)O2 ZINC000090898045 180057260 /nfs/dbraw/zinc/05/72/60/180057260.db2.gz VWHYTGFINXNABF-HNNXBMFYSA-N 1 0 261.365 2.315 10 0 CEAERO Cc1ccc2c(c1)C[C@H](CN1CC(C)(C)[NH2+]C[C@@H]1C)O2 ZINC000090902489 180059591 /nfs/dbraw/zinc/05/95/91/180059591.db2.gz SURDWTSBPDSNNX-DZGCQCFKSA-N 1 0 274.408 2.371 10 0 CEAERO COCCC[NH2+]C[C@H]1Cc2cc(Cl)ccc2O1 ZINC000090903456 180059612 /nfs/dbraw/zinc/05/96/12/180059612.db2.gz NLVWHDCQUDYJFI-GFCCVEGCSA-N 1 0 255.745 2.270 10 0 CEAERO CC(C)(O)C[NH2+]C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090905139 180059717 /nfs/dbraw/zinc/05/97/17/180059717.db2.gz JBSHKYWYMAYODG-NSHDSACASA-N 1 0 255.745 2.004 10 0 CEAERO CN(CC[NH2+]C[C@H]1Cc2cc(Cl)ccc2O1)C1CC1 ZINC000090904700 180059864 /nfs/dbraw/zinc/05/98/64/180059864.db2.gz MCLPCSMZPVWLQI-CQSZACIVSA-N 1 0 280.799 2.327 10 0 CEAERO Clc1ccc2c(c1)C[C@H](C[NH2+][C@H]1CCN(C3CC3)C1)O2 ZINC000090904355 180059979 /nfs/dbraw/zinc/05/99/79/180059979.db2.gz XYRWDBOBZNZPPM-DZGCQCFKSA-N 1 0 292.810 2.470 10 0 CEAERO Cc1ccc([C@@H]([NH3+])CCN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090907560 180062062 /nfs/dbraw/zinc/06/20/62/180062062.db2.gz BRNQKHQUTGYYEX-XHSDSOJGSA-N 1 0 260.381 2.248 10 0 CEAERO Cc1cc(CN2C[C@H]3CC[C@@H](C2)O3)oc1C[NH2+]C(C)C ZINC000090907824 180062437 /nfs/dbraw/zinc/06/24/37/180062437.db2.gz RDTOYQAITQHWIC-OKILXGFUSA-N 1 0 278.396 2.449 10 0 CEAERO Nc1ccsc1C[NH2+][C@@H]1CCC[C@@H]1n1ccnc1 ZINC000090959940 180075323 /nfs/dbraw/zinc/07/53/23/180075323.db2.gz CCPXZYYZRGBFKY-NEPJUHHUSA-N 1 0 262.382 2.410 10 0 CEAERO Nc1ccccc1C[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000090962279 180076365 /nfs/dbraw/zinc/07/63/65/180076365.db2.gz LEKCUIQXHSALDK-CQSZACIVSA-N 1 0 254.333 2.362 10 0 CEAERO Cn1cc(CC[NH2+]Cc2ccc3c(c2)CCC3)cn1 ZINC000090981902 180078684 /nfs/dbraw/zinc/07/86/84/180078684.db2.gz LXVPYCHZXGQCOC-UHFFFAOYSA-N 1 0 255.365 2.241 10 0 CEAERO CN(Cc1cccc(C[NH3+])c1)C(=O)[C@@H]1Cc2ccccc21 ZINC000090982587 180079625 /nfs/dbraw/zinc/07/96/25/180079625.db2.gz KCPTWEAHYMBEPE-QGZVFWFLSA-N 1 0 280.371 2.444 10 0 CEAERO CCN(C(=O)[C@@H]1Cc2ccccc21)[C@H]1CCC[C@@H]1C[NH3+] ZINC000090985636 180080896 /nfs/dbraw/zinc/08/08/96/180080896.db2.gz OSEDMMPLABTZPY-BMFZPTHFSA-N 1 0 272.392 2.302 10 0 CEAERO CCOC(=O)C1CCC([NH2+]Cc2cc[nH]c2)CC1 ZINC000090994764 180082744 /nfs/dbraw/zinc/08/27/44/180082744.db2.gz XEZSCTJUCSRRPP-UHFFFAOYSA-N 1 0 250.342 2.226 10 0 CEAERO C[NH2+]Cc1cccn1Cc1ccc(OC)c(OC)c1 ZINC000090995807 180082875 /nfs/dbraw/zinc/08/28/75/180082875.db2.gz HBBIZYDGOFQRMU-UHFFFAOYSA-N 1 0 260.337 2.273 10 0 CEAERO CC(C)C[NH2+]Cc1cccn1CCC(=O)NC(C)C ZINC000091001833 180083343 /nfs/dbraw/zinc/08/33/43/180083343.db2.gz GXNYVSZTURWROQ-UHFFFAOYSA-N 1 0 265.401 2.148 10 0 CEAERO O=C(Cn1cccc1C[NH2+]C1CC1)Nc1ccccc1 ZINC000091001497 180083356 /nfs/dbraw/zinc/08/33/56/180083356.db2.gz ZVJNJOJRIKQKDP-UHFFFAOYSA-N 1 0 269.348 2.379 10 0 CEAERO CC[C@H](C)NC(=O)Cn1cccc1C[NH2+]CC(C)C ZINC000091001905 180083476 /nfs/dbraw/zinc/08/34/76/180083476.db2.gz MTZFSKSNSGRWQJ-ZDUSSCGKSA-N 1 0 265.401 2.148 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](Cn1ccc(CC[NH3+])c1)O2 ZINC000091004838 180084303 /nfs/dbraw/zinc/08/43/03/180084303.db2.gz HKHGOIHPZZVUCK-HNNXBMFYSA-N 1 0 256.349 2.301 10 0 CEAERO COc1c(C)cnc(Cn2ccc(C[C@H](C)[NH3+])c2)c1C ZINC000091005846 180084831 /nfs/dbraw/zinc/08/48/31/180084831.db2.gz BWCGRFUVAUMSHA-LBPRGKRZSA-N 1 0 273.380 2.447 10 0 CEAERO O[C@H](C[NH2+]Cc1c[nH]c2ncccc12)c1ccccc1 ZINC000091016362 180086841 /nfs/dbraw/zinc/08/68/41/180086841.db2.gz GTELYNDLUDKBDL-OAHLLOKOSA-N 1 0 267.332 2.386 10 0 CEAERO [NH3+]Cc1cn(CCc2cccnc2)c2ncccc12 ZINC000091018951 180087093 /nfs/dbraw/zinc/08/70/93/180087093.db2.gz YVRAQSXWJHEGAI-UHFFFAOYSA-N 1 0 252.321 2.133 10 0 CEAERO CCN(Cc1c[nH]c2ncccc12)[C@H]1CCC[NH2+]C1 ZINC000091019668 180087753 /nfs/dbraw/zinc/08/77/53/180087753.db2.gz ICVAKHFVVCFAIU-ZDUSSCGKSA-N 1 0 258.369 2.137 10 0 CEAERO CCn1nc(C)cc1Cn1cc(C[NH2+]C)c2cccnc21 ZINC000091019303 180088268 /nfs/dbraw/zinc/08/82/68/180088268.db2.gz UHHXWUZFVKUWMD-UHFFFAOYSA-N 1 0 283.379 2.329 10 0 CEAERO Cc1cc(Cn2cc(C[C@@H](C)[NH3+])c3cccnc32)n(C)n1 ZINC000091021813 180088918 /nfs/dbraw/zinc/08/89/18/180088918.db2.gz LYERKDSHGWOZKV-LLVKDONJSA-N 1 0 283.379 2.016 10 0 CEAERO C[C@H]([NH3+])c1nc(-c2nnc3n2CCCCC3)cs1 ZINC000090936137 180068278 /nfs/dbraw/zinc/06/82/78/180068278.db2.gz LLIULAHDGLJVCI-QMMMGPOBSA-N 1 0 263.370 2.148 10 0 CEAERO CCCn1c(C[C@@H]2CSCC[NH2+]2)nc2cnccc21 ZINC000091128702 180100504 /nfs/dbraw/zinc/10/05/04/180100504.db2.gz QMHWEINPJICPPK-LLVKDONJSA-N 1 0 276.409 2.089 10 0 CEAERO O=C(C[C@H]1CSCC[NH2+]1)OC1CCCCCC1 ZINC000091130021 180100918 /nfs/dbraw/zinc/10/09/18/180100918.db2.gz NVESAODEVPAQHM-NSHDSACASA-N 1 0 257.399 2.348 10 0 CEAERO C[C@@H](NC(=O)C[C@@H]1CSCC[NH2+]1)c1cccs1 ZINC000091134406 180102744 /nfs/dbraw/zinc/10/27/44/180102744.db2.gz HEEKLVLWTYQTEV-NXEZZACHSA-N 1 0 270.423 2.020 10 0 CEAERO CCN(CC)C(=O)C[C@@H](CN)[N@H+](C)C1CCCCCC1 ZINC000091322690 180134583 /nfs/dbraw/zinc/13/45/83/180134583.db2.gz SEUGOKGZWZLBQP-HNNXBMFYSA-N 1 0 283.460 2.227 10 0 CEAERO Cc1ncc(C[C@](C[NH3+])(c2ccccc2)[C@H](C)O)s1 ZINC000091327587 180135609 /nfs/dbraw/zinc/13/56/09/180135609.db2.gz JUVHZCDFXDYGJN-XHDPSFHLSA-N 1 0 276.405 2.272 10 0 CEAERO C[NH2+]Cc1cnn(-c2ccncc2)c1C(F)(F)F ZINC000091337129 180136186 /nfs/dbraw/zinc/13/61/86/180136186.db2.gz LHPGHFSFSYDKPA-UHFFFAOYSA-N 1 0 256.231 2.006 10 0 CEAERO O=C(NCCc1ccncc1)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091359918 180141217 /nfs/dbraw/zinc/14/12/17/180141217.db2.gz WJTODLNZEFBBQW-JYJNAYRXSA-N 1 0 287.407 2.051 10 0 CEAERO CO[C@@H]1CCC[C@@H]1NC[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091362725 180141834 /nfs/dbraw/zinc/14/18/34/180141834.db2.gz ITPSQYXSHUXUDS-UVPYHEFZSA-N 1 0 266.429 2.454 10 0 CEAERO CN(C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)c1cccnc1 ZINC000091361450 180141838 /nfs/dbraw/zinc/14/18/38/180141838.db2.gz DRLDIILZMJTBGZ-QEJZJMRPSA-N 1 0 273.380 2.355 10 0 CEAERO C[C@H](CO)CS[C@@H]1CCc2ccccc2[C@@H]1[NH3+] ZINC000091261032 180115936 /nfs/dbraw/zinc/11/59/36/180115936.db2.gz KRWAMQKNNIYZNS-HONMWMINSA-N 1 0 251.395 2.363 10 0 CEAERO COCC[NH2+]Cc1ccccc1S[C@H](C)CCO ZINC000091268178 180117105 /nfs/dbraw/zinc/11/71/05/180117105.db2.gz LUNTUEQKQJPPGO-GFCCVEGCSA-N 1 0 269.410 2.286 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1Cc1cncn1C(C)C ZINC000091272984 180117892 /nfs/dbraw/zinc/11/78/92/180117892.db2.gz XZAJQZVDMBWNTG-CYBMUJFWSA-N 1 0 250.390 2.038 10 0 CEAERO C[NH2+]C[C@@H]1CCCN(C2CC2)[C@@H]1c1cncn1C1CC1 ZINC000091275394 180118680 /nfs/dbraw/zinc/11/86/80/180118680.db2.gz XOJRNUBQUGKHFJ-LRDDRELGSA-N 1 0 274.412 2.353 10 0 CEAERO CC1CCC(CO)([NH2+]Cc2cncn2C2CC2)CC1 ZINC000091275940 180118981 /nfs/dbraw/zinc/11/89/81/180118981.db2.gz XGPFIMORLAVSGQ-UHFFFAOYSA-N 1 0 263.385 2.249 10 0 CEAERO CC1(C)CCN([C@@H](C[NH3+])c2cncn2C2CC2)CC1 ZINC000091276521 180120567 /nfs/dbraw/zinc/12/05/67/180120567.db2.gz DVHXWLCBHWSQOC-ZDUSSCGKSA-N 1 0 262.401 2.340 10 0 CEAERO C[C@H](C[NH2+][C@H](c1ccccc1)C1CC1)N1CCOCC1 ZINC000091281165 180120877 /nfs/dbraw/zinc/12/08/77/180120877.db2.gz ORHRKYVQWMUTFG-RHSMWYFYSA-N 1 0 274.408 2.448 10 0 CEAERO CCN(C(=O)C[C@H]1CSCC[NH2+]1)c1ccccc1F ZINC000091290819 180122221 /nfs/dbraw/zinc/12/22/21/180122221.db2.gz URBLRUSJCOLHAH-NSHDSACASA-N 1 0 282.384 2.274 10 0 CEAERO CCCNc1ncccc1C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000091428623 180152834 /nfs/dbraw/zinc/15/28/34/180152834.db2.gz QGZZRINLKHUIEB-ZDUSSCGKSA-N 1 0 290.411 2.070 10 0 CEAERO CNc1c(F)cc(C(=O)N2CCC[C@H]([NH+](C)C)C2)cc1F ZINC000091432719 180153835 /nfs/dbraw/zinc/15/38/35/180153835.db2.gz FPRAMLZXUGCRSX-NSHDSACASA-N 1 0 297.349 2.173 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(Cc2cc3ccccc3nc2N)C1 ZINC000091450201 180158350 /nfs/dbraw/zinc/15/83/50/180158350.db2.gz LVZNJOCNZXUXGX-OAHLLOKOSA-N 1 0 284.407 2.343 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cccs1)N(C)CC1CC(O)C1 ZINC000091451652 180158861 /nfs/dbraw/zinc/15/88/61/180158861.db2.gz NCBDVLFNZWZHNK-UAKHECDHSA-N 1 0 268.426 2.229 10 0 CEAERO C[C@H]([NH3+])c1cc(F)ccc1N(C)CC1CC(O)C1 ZINC000091451353 180158881 /nfs/dbraw/zinc/15/88/81/180158881.db2.gz YKPSZIZZKQRHGG-BMQDGWLCSA-N 1 0 252.333 2.053 10 0 CEAERO [NH3+][C@H]1CCCCC[C@H]1NC(=O)c1ccncc1Cl ZINC000091456928 180160255 /nfs/dbraw/zinc/16/02/55/180160255.db2.gz HKCUORFTTNAORE-NWDGAFQWSA-N 1 0 267.760 2.125 10 0 CEAERO CCC[NH2+]CC[C@](C)(O)c1ccc2c(c1)OCCO2 ZINC000091465391 180163898 /nfs/dbraw/zinc/16/38/98/180163898.db2.gz RBVPSUUNXANPKV-HNNXBMFYSA-N 1 0 265.353 2.055 10 0 CEAERO Cc1nn(C)c(C[C@](C)(O)CC[NH2+]C(C)C)c1Cl ZINC000091466466 180163985 /nfs/dbraw/zinc/16/39/85/180163985.db2.gz AJQLAKHYHGPJPU-CYBMUJFWSA-N 1 0 273.808 2.064 10 0 CEAERO COc1ccc([C@@](C)(O)CC[NH2+]C(C)C)c(OC)c1 ZINC000091467803 180164187 /nfs/dbraw/zinc/16/41/87/180164187.db2.gz YDSGBPDKQQXQQN-HNNXBMFYSA-N 1 0 267.369 2.299 10 0 CEAERO CC[C@H](C)n1ccc(C[C@H](O)C[NH2+]C(C)(C)C)n1 ZINC000091469817 180164891 /nfs/dbraw/zinc/16/48/91/180164891.db2.gz LGXBKAOFZQUCOL-AAEUAGOBSA-N 1 0 253.390 2.146 10 0 CEAERO OCC1C[NH+](CCCOc2ccc(Cl)cc2)C1 ZINC000091478421 180166211 /nfs/dbraw/zinc/16/62/11/180166211.db2.gz QWCZXQFVYXGIOY-UHFFFAOYSA-N 1 0 255.745 2.033 10 0 CEAERO CCN1C(=O)C[C@@H]([NH3+])[C@H]1c1ccc(Br)c(C)c1 ZINC000091476276 180166337 /nfs/dbraw/zinc/16/63/37/180166337.db2.gz VUSWGADBXIFGPG-DGCLKSJQSA-N 1 0 297.196 2.378 10 0 CEAERO CC1(C)C(C(=O)N(CCC[NH3+])Cc2cccnc2)C1(C)C ZINC000091481366 180166621 /nfs/dbraw/zinc/16/66/21/180166621.db2.gz ODFBZXRUGJQTDI-UHFFFAOYSA-N 1 0 289.423 2.441 10 0 CEAERO CCC[NH2+][C@H](Cc1ncccc1C)C(C)(C)S(C)(=O)=O ZINC000091384875 180144286 /nfs/dbraw/zinc/14/42/86/180144286.db2.gz UGQJPMPBJFFECS-CQSZACIVSA-N 1 0 298.452 2.124 10 0 CEAERO C[NH+](C)[C@H]1CCCN(Cc2c(N)cccc2Cl)C1 ZINC000091393838 180145581 /nfs/dbraw/zinc/14/55/81/180145581.db2.gz OJPDZLVZJSTUTD-NSHDSACASA-N 1 0 267.804 2.448 10 0 CEAERO CSc1nc2ccc(NC(=O)C3C[NH2+]C3)cc2s1 ZINC000091395954 180147232 /nfs/dbraw/zinc/14/72/32/180147232.db2.gz MGQBVCRFOHQHEV-UHFFFAOYSA-N 1 0 279.390 2.176 10 0 CEAERO O=C(Nc1ccc(Cl)c2cccnc12)C1C[NH2+]C1 ZINC000091409255 180148286 /nfs/dbraw/zinc/14/82/86/180148286.db2.gz IMOHHWVHLDQQOW-UHFFFAOYSA-N 1 0 261.712 2.046 10 0 CEAERO CC[NH2+]Cc1cncc(N(C)c2ccc(OC)cc2)n1 ZINC000091420315 180150781 /nfs/dbraw/zinc/15/07/81/180150781.db2.gz QXPQZYHDCXIJNF-UHFFFAOYSA-N 1 0 272.352 2.363 10 0 CEAERO CC[C@@H](C)N(CCOC)c1cncc(C[NH2+]CC(C)C)n1 ZINC000091420641 180150904 /nfs/dbraw/zinc/15/09/04/180150904.db2.gz YZTWGFJEKBEBTE-CQSZACIVSA-N 1 0 294.443 2.474 10 0 CEAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1CC(O)C1 ZINC000091426255 180152110 /nfs/dbraw/zinc/15/21/10/180152110.db2.gz BANQMTLWLTTYOS-TZDAIYRESA-N 1 0 261.365 2.433 10 0 CEAERO CC[C@@H](C)N1C(=O)C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1=O ZINC000105076635 186040450 /nfs/dbraw/zinc/04/04/50/186040450.db2.gz TVZQGIFGLSYTOZ-SUNKGSAMSA-N 1 0 292.354 2.402 10 0 CEAERO CC[NH2+][C@@H](Cc1cccnc1N)C(C)(C)N1CCCCC1 ZINC000091565124 180193456 /nfs/dbraw/zinc/19/34/56/180193456.db2.gz GRNFWBNAIVXHOY-HNNXBMFYSA-N 1 0 290.455 2.449 10 0 CEAERO C[NH2+][C@@H](CC1CCCC1)C(C)(C)N1CCOCC1 ZINC000091566450 180193934 /nfs/dbraw/zinc/19/39/34/180193934.db2.gz MGHKKACQOCVXNU-AWEZNQCLSA-N 1 0 254.418 2.266 10 0 CEAERO Cc1cc(F)ccc1[C@@H]([NH3+])C(C)(C)N1CCOCC1 ZINC000091566316 180193940 /nfs/dbraw/zinc/19/39/40/180193940.db2.gz YPGRTGYXBBUFDT-CQSZACIVSA-N 1 0 266.360 2.245 10 0 CEAERO CCc1ccc(C[C@@H]([NH3+])C(C)(C)N2CCOCC2)cc1 ZINC000091566093 180193996 /nfs/dbraw/zinc/19/39/96/180193996.db2.gz NLVRRMLYDMLLQQ-MRXNPFEDSA-N 1 0 276.424 2.230 10 0 CEAERO CC(C)([C@@H]([NH3+])c1ccc(Cl)cc1)N1CCOCC1 ZINC000091566390 180194077 /nfs/dbraw/zinc/19/40/77/180194077.db2.gz HCRQEUHYZYUQTN-ZDUSSCGKSA-N 1 0 268.788 2.451 10 0 CEAERO CC(C)([C@H]([NH3+])CCc1ccsc1)N1CCOCC1 ZINC000091566275 180194269 /nfs/dbraw/zinc/19/42/69/180194269.db2.gz ZPZJDHUDIAYRML-CYBMUJFWSA-N 1 0 268.426 2.119 10 0 CEAERO CCCn1ccnc1[C@H]([NH2+]CC)C(C)(C)N1CCOCC1 ZINC000091567010 180194634 /nfs/dbraw/zinc/19/46/34/180194634.db2.gz DTYHYCJPBXWQOG-AWEZNQCLSA-N 1 0 294.443 2.055 10 0 CEAERO CCCn1nccc1[C@@H]([NH2+]CC)C(C)(C)N1CCOCC1 ZINC000091566869 180194975 /nfs/dbraw/zinc/19/49/75/180194975.db2.gz DCOCVJAXOGYVPI-OAHLLOKOSA-N 1 0 294.443 2.055 10 0 CEAERO CC(C)([C@H](O)Cc1ccnc(N)c1)[NH+]1CCCCCC1 ZINC000091567530 180195018 /nfs/dbraw/zinc/19/50/18/180195018.db2.gz VQHVPEZLAJRMQI-CQSZACIVSA-N 1 0 277.412 2.222 10 0 CEAERO C[NH2+][C@H]([C@@H]1CCOC1)C(C)(C)N1CCCCCC1 ZINC000091568141 180195071 /nfs/dbraw/zinc/19/50/71/180195071.db2.gz PPOUGDXZIGCFNI-ZIAGYGMSSA-N 1 0 254.418 2.266 10 0 CEAERO CC[NH2+][C@@H](CC[C@H]1CCCO1)C(C)(C)N1CCOCC1 ZINC000091566882 180195142 /nfs/dbraw/zinc/19/51/42/180195142.db2.gz RNQCSGQLDPUTTI-CABCVRRESA-N 1 0 284.444 2.035 10 0 CEAERO CC[C@@](C)([C@H](N)Cc1ccccc1OC)[NH+](C)C ZINC000091570156 180195422 /nfs/dbraw/zinc/19/54/22/180195422.db2.gz WVZPSLWVKUZKGZ-CABCVRRESA-N 1 0 250.386 2.295 10 0 CEAERO CCn1nc(C)c(Cl)c1C[C@@H](O)[C@](C)(CC)[NH+](C)C ZINC000091569576 180195586 /nfs/dbraw/zinc/19/55/86/180195586.db2.gz LSIBLXMWHDZZBW-OCCSQVGLSA-N 1 0 287.835 2.499 10 0 CEAERO CC[NH2+][C@@H](c1cc(C)cnc1N)[C@](C)(CC)N(C)C ZINC000091571110 180195867 /nfs/dbraw/zinc/19/58/67/180195867.db2.gz WMZFVRFOGYWGBN-ZFWWWQNUSA-N 1 0 264.417 2.353 10 0 CEAERO CC[C@](C)([C@@H](N)c1ccc(OC)cc1OC)[NH+](C)C ZINC000091569663 180195916 /nfs/dbraw/zinc/19/59/16/180195916.db2.gz VNEJJBTVLCGLAT-LSDHHAIUSA-N 1 0 266.385 2.434 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@@H](O)CCCS(=O)(=O)CC ZINC000091573319 180196485 /nfs/dbraw/zinc/19/64/85/180196485.db2.gz PFNSQQBKZKSNSZ-UONOGXRCSA-N 1 0 293.473 2.073 10 0 CEAERO CC[NH2+][C@H](Cc1cc(CC)nn1C)[C@@](C)(CC)N(C)C ZINC000091571373 180196692 /nfs/dbraw/zinc/19/66/92/180196692.db2.gz OFTOORVXQSAZHK-HZPDHXFCSA-N 1 0 280.460 2.233 10 0 CEAERO CCCc1nn(C)c(NCCC[NH+](CC)CC)c1N ZINC000091580478 180198382 /nfs/dbraw/zinc/19/83/82/180198382.db2.gz NEQWPFKJLNGYRU-UHFFFAOYSA-N 1 0 267.421 2.099 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(c2c(N)c(C(C)C)nn2C)CC1 ZINC000091578455 180198400 /nfs/dbraw/zinc/19/84/00/180198400.db2.gz NGZZHDMHTPEVMX-GFCCVEGCSA-N 1 0 279.432 2.046 10 0 CEAERO CCn1cc([C@@H](O)[C@](C)(CC)[NH+]2CCCC2)cn1 ZINC000091602752 180203046 /nfs/dbraw/zinc/20/30/46/180203046.db2.gz JBRPNUDFZQIQOG-KGLIPLIRSA-N 1 0 251.374 2.201 10 0 CEAERO CC[C@@](C)([C@H](O)C1CCOCC1)[NH+]1CCCCC1 ZINC000091608285 180204745 /nfs/dbraw/zinc/20/47/45/180204745.db2.gz SPSBSJJDLNDVJW-CABCVRRESA-N 1 0 255.402 2.429 10 0 CEAERO CC[C@](C)([C@@H]([NH3+])Cc1ccsc1)N1CCOCC1 ZINC000091611896 180206660 /nfs/dbraw/zinc/20/66/60/180206660.db2.gz ZUHGHVPHWSWFNU-UONOGXRCSA-N 1 0 268.426 2.119 10 0 CEAERO CC[C@](C)([C@@H]([NH3+])c1ccc(C)cc1)N1CCOCC1 ZINC000091611656 180206771 /nfs/dbraw/zinc/20/67/71/180206771.db2.gz IDORQKXWNVHMDC-JKSUJKDBSA-N 1 0 262.397 2.496 10 0 CEAERO CC[C@](C)([C@@H](O)c1ccc(OC)cc1)[NH+]1CCOCC1 ZINC000091611172 180206808 /nfs/dbraw/zinc/20/68/08/180206808.db2.gz VWXCKKIONSJPBH-JKSUJKDBSA-N 1 0 279.380 2.230 10 0 CEAERO CC[C@](C)([C@@H]([NH3+])c1ccc(F)c(F)c1)N1CCOCC1 ZINC000091611928 180206977 /nfs/dbraw/zinc/20/69/77/180206977.db2.gz BXIPGYAFNCATNA-LSDHHAIUSA-N 1 0 284.350 2.466 10 0 CEAERO CC[NH2+][C@H](c1ccco1)[C@@](C)(CC)N1CCOCC1 ZINC000091612890 180206985 /nfs/dbraw/zinc/20/69/85/180206985.db2.gz KNMHUQWACNHULP-HUUCEWRRSA-N 1 0 266.385 2.431 10 0 CEAERO CC[C@@](C)([C@H]([NH3+])c1cccc(F)c1F)N1CCOCC1 ZINC000091612105 180207067 /nfs/dbraw/zinc/20/70/67/180207067.db2.gz PFDJBJGCQGDJBM-CABCVRRESA-N 1 0 284.350 2.466 10 0 CEAERO CCCn1nccc1[C@H]([NH2+]C)[C@@](C)(CC)N1CCOCC1 ZINC000091612393 180207095 /nfs/dbraw/zinc/20/70/95/180207095.db2.gz OQRPACDJBHBCGQ-JKSUJKDBSA-N 1 0 294.443 2.055 10 0 CEAERO CC[C@](C)([C@H]([NH3+])Cc1cccc(OC)c1)N1CCOCC1 ZINC000091612030 180207187 /nfs/dbraw/zinc/20/71/87/180207187.db2.gz KPRPNJFAFLYZBS-IAGOWNOFSA-N 1 0 292.423 2.066 10 0 CEAERO CCCn1nccc1[C@@H]([NH2+]C)[C@@](C)(CC)N1CCOCC1 ZINC000091612394 180207533 /nfs/dbraw/zinc/20/75/33/180207533.db2.gz OQRPACDJBHBCGQ-HZPDHXFCSA-N 1 0 294.443 2.055 10 0 CEAERO CC[NH+](CC)C(CC)(CC)[C@H](N)Cc1ccnc(N)c1 ZINC000091615815 180207824 /nfs/dbraw/zinc/20/78/24/180207824.db2.gz UJPDVGNRAPUKEK-CQSZACIVSA-N 1 0 278.444 2.434 10 0 CEAERO CC[NH2+][C@H](Cc1cnn(C)c1)C(CC)(CC)N(C)C ZINC000091614700 180208044 /nfs/dbraw/zinc/20/80/44/180208044.db2.gz MNFFSOWMWQQFNU-CQSZACIVSA-N 1 0 266.433 2.061 10 0 CEAERO CCOC(=O)C1(Nc2cc(C)cc(F)c2)CC[NH2+]CC1 ZINC000091516220 180176732 /nfs/dbraw/zinc/17/67/32/180176732.db2.gz ZEUJVZYWSVAFNN-UHFFFAOYSA-N 1 0 280.343 2.231 10 0 CEAERO Cc1sc2ncnc(NCC3CC([NH3+])C3)c2c1C ZINC000091524335 180178014 /nfs/dbraw/zinc/17/80/14/180178014.db2.gz ZSIPNDXWDOZBMY-UHFFFAOYSA-N 1 0 262.382 2.457 10 0 CEAERO OC1CC(C[NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000091524418 180178388 /nfs/dbraw/zinc/17/83/88/180178388.db2.gz IKUBNDAEZROEMP-UHFFFAOYSA-N 1 0 251.292 2.468 10 0 CEAERO C[NH+](C)C(C)(C)[C@@H](O)Cc1ccc2ccccc2n1 ZINC000091528202 180179504 /nfs/dbraw/zinc/17/95/04/180179504.db2.gz LJOZUMIWDMOIFL-HNNXBMFYSA-N 1 0 258.365 2.478 10 0 CEAERO C[NH+](C)C(C)(C)[C@@H](N)Cc1ccn(C2CCCC2)n1 ZINC000091528394 180179735 /nfs/dbraw/zinc/17/97/35/180179735.db2.gz VNUYOADXKLSMHH-AWEZNQCLSA-N 1 0 264.417 2.208 10 0 CEAERO CC[C@@H](C)n1ccc(C[C@@H](O)C(C)(C)[NH+](C)C)n1 ZINC000091528197 180179910 /nfs/dbraw/zinc/17/99/10/180179910.db2.gz AZFJNLAJCQMKHV-DGCLKSJQSA-N 1 0 253.390 2.098 10 0 CEAERO CC[NH+](CC)C(C)(C)[C@H](N)c1cc(Cl)cnc1N ZINC000091530302 180180624 /nfs/dbraw/zinc/18/06/24/180180624.db2.gz RWQXBUIBNQGTGM-LLVKDONJSA-N 1 0 270.808 2.437 10 0 CEAERO C[NH+](C)C(C)(C)[C@@H](N)c1ccc2c(c1)OCCCO2 ZINC000091528530 180180993 /nfs/dbraw/zinc/18/09/93/180180993.db2.gz UTRQSSWWBBLSBH-AWEZNQCLSA-N 1 0 264.369 2.188 10 0 CEAERO CCCn1cc([C@@H](N)C(C)(C)[NH+]2CCCC2)cn1 ZINC000091534125 180181383 /nfs/dbraw/zinc/18/13/83/180181383.db2.gz XZFDQQKIKRFVMO-CYBMUJFWSA-N 1 0 250.390 2.167 10 0 CEAERO CC(C)([C@H](O)c1cc(Cl)cnc1N)[NH+]1CCCC1 ZINC000091532974 180181406 /nfs/dbraw/zinc/18/14/06/180181406.db2.gz VLRIGWWBBSBGLP-LLVKDONJSA-N 1 0 269.776 2.225 10 0 CEAERO CC[NH2+][C@H](Cc1cccnc1N)C(C)(C)N1CCCC1 ZINC000091535358 180182328 /nfs/dbraw/zinc/18/23/28/180182328.db2.gz NRLOHNRRQDHZQK-CQSZACIVSA-N 1 0 276.428 2.059 10 0 CEAERO OC1CC(C[NH2+]Cc2ccc(OC(F)F)cc2)C1 ZINC000091538771 180182944 /nfs/dbraw/zinc/18/29/44/180182944.db2.gz VDOZOBXZXDXDHX-UHFFFAOYSA-N 1 0 257.280 2.149 10 0 CEAERO Cc1nn(C(C)C)c(C)c1NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091545869 180186390 /nfs/dbraw/zinc/18/63/90/180186390.db2.gz FYKDWHQZKHQWOO-NEPJUHHUSA-N 1 0 264.373 2.147 10 0 CEAERO CCCn1ncnc1C[C@H](N)C(CC)(CC)[NH+]1CCCC1 ZINC000091634974 180211619 /nfs/dbraw/zinc/21/16/19/180211619.db2.gz RKMWSNLSDSPBDE-AWEZNQCLSA-N 1 0 293.459 2.213 10 0 CEAERO CC[NH+](CC)C1([C@@H](N)C2CCOCC2)CCCC1 ZINC000091639067 180212006 /nfs/dbraw/zinc/21/20/06/180212006.db2.gz ANZAAJBRTAFTHC-AWEZNQCLSA-N 1 0 254.418 2.395 10 0 CEAERO CCCn1ncnc1C[C@H](O)C1([NH+](CC)CC)CCCC1 ZINC000091638778 180212180 /nfs/dbraw/zinc/21/21/80/180212180.db2.gz XBINRPCNAFCQSH-AWEZNQCLSA-N 1 0 294.443 2.246 10 0 CEAERO CCCn1ncnc1CC(=O)C1([NH+](CC)CC)CCCC1 ZINC000091638688 180212205 /nfs/dbraw/zinc/21/22/05/180212205.db2.gz HSQMZCSVKSLUNF-UHFFFAOYSA-N 1 0 292.427 2.454 10 0 CEAERO CC[NH+](CC)C1([C@@H](N)c2cnn(C)c2)CCCC1 ZINC000091639239 180212288 /nfs/dbraw/zinc/21/22/88/180212288.db2.gz KMHIQBIEHUSYAH-ZDUSSCGKSA-N 1 0 250.390 2.075 10 0 CEAERO Nc1cc(C[C@H](O)C2([NH+]3CCCCC3)CCCC2)ccn1 ZINC000091641618 180212918 /nfs/dbraw/zinc/21/29/18/180212918.db2.gz MFOISCKFBDBHRH-HNNXBMFYSA-N 1 0 289.423 2.366 10 0 CEAERO O[C@@H](C1CCCC1)C1([NH+]2CCOCC2)CCCC1 ZINC000091642674 180213859 /nfs/dbraw/zinc/21/38/59/180213859.db2.gz RBZYKPMVCAUXLX-AWEZNQCLSA-N 1 0 253.386 2.183 10 0 CEAERO O[C@H](Cc1cccs1)C1([NH+]2CCOCC2)CCCC1 ZINC000091642743 180213957 /nfs/dbraw/zinc/21/39/57/180213957.db2.gz PXSARJKBMAMBHC-CQSZACIVSA-N 1 0 281.421 2.297 10 0 CEAERO [NH3+][C@@H](CCC1CC1)C1(N2CCOCC2)CCCC1 ZINC000091643002 180213996 /nfs/dbraw/zinc/21/39/96/180213996.db2.gz UDVCLYAIUCPAEI-AWEZNQCLSA-N 1 0 252.402 2.149 10 0 CEAERO C[NH2+][C@@H](Cc1ncnn1C(C)C)C1(N(C)C)CCCCC1 ZINC000091647692 180215121 /nfs/dbraw/zinc/21/51/21/180215121.db2.gz RPHCKJBMIMNBSF-AWEZNQCLSA-N 1 0 293.459 2.254 10 0 CEAERO CC1CCC([C@@H](O)Cc2ccccn2)([NH+](C)C)CC1 ZINC000091648362 180215456 /nfs/dbraw/zinc/21/54/56/180215456.db2.gz UAHLZHKROAYIAJ-SIWZUTFBSA-N 1 0 262.397 2.496 10 0 CEAERO C[NH2+][C@@H](CC1CCC1)C1(N2CCOCC2)CCCC1 ZINC000091646209 180215880 /nfs/dbraw/zinc/21/58/80/180215880.db2.gz NBTAQULGZNKJTH-HNNXBMFYSA-N 1 0 266.429 2.410 10 0 CEAERO CC[NH2+][C@H](C(C)C)C1(N2CCOCC2)CCCC1 ZINC000091646278 180215896 /nfs/dbraw/zinc/21/58/96/180215896.db2.gz QNBWLVVILJRDSL-CQSZACIVSA-N 1 0 254.418 2.266 10 0 CEAERO CC1CCC([C@H](N)c2cnccc2N)([NH+](C)C)CC1 ZINC000091648807 180216116 /nfs/dbraw/zinc/21/61/16/180216116.db2.gz UBOKLVQFOFIAOR-XGTXGMFGSA-N 1 0 262.401 2.174 10 0 CEAERO CC(C)n1ncnc1C[C@@H](N)C1([NH+](C)C)CCC(C)CC1 ZINC000091649017 180216136 /nfs/dbraw/zinc/21/61/36/180216136.db2.gz MZWNPQBYUFLQQL-NPCAHTBFSA-N 1 0 293.459 2.239 10 0 CEAERO CCCn1ncnc1CC(=O)[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000091650735 180216310 /nfs/dbraw/zinc/21/63/10/180216310.db2.gz IRZDYOOEUYNXPA-CZUORRHYSA-N 1 0 292.427 2.310 10 0 CEAERO CCn1nccc1[C@H](N)C1([NH+](C)C)CCC(C)CC1 ZINC000091648727 180216508 /nfs/dbraw/zinc/21/65/08/180216508.db2.gz VVTSRKBNJYGRMS-BLZCZZARSA-N 1 0 264.417 2.413 10 0 CEAERO CC(C)CN(CC[NH+](C)C)c1nc(Cl)ncc1F ZINC000091655486 180216863 /nfs/dbraw/zinc/21/68/63/180216863.db2.gz UKMTVKFYTCSSJT-UHFFFAOYSA-N 1 0 274.771 2.293 10 0 CEAERO C[NH+](C)C1([C@@H](O)C2CCOCC2)CCCCCC1 ZINC000091653705 180217022 /nfs/dbraw/zinc/21/70/22/180217022.db2.gz SBEKWMYMPSKVIS-AWEZNQCLSA-N 1 0 255.402 2.429 10 0 CEAERO CC[NH+](CC)C[C@H](C)Nc1nc(Cl)ncc1F ZINC000091655550 180217693 /nfs/dbraw/zinc/21/76/93/180217693.db2.gz CLBAKIPJNJDNPT-QMMMGPOBSA-N 1 0 260.744 2.411 10 0 CEAERO C[C@@H](CNc1nc(Cl)ncc1F)C[NH+]1CCCC1 ZINC000091655663 180217836 /nfs/dbraw/zinc/21/78/36/180217836.db2.gz JMTKIDAOZZEBMF-VIFPVBQESA-N 1 0 272.755 2.413 10 0 CEAERO CC[C@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)c1nc(C)cs1 ZINC000105307795 186051607 /nfs/dbraw/zinc/05/16/07/186051607.db2.gz CGNXPWDMEXMKPM-NEPJUHHUSA-N 1 0 296.440 2.248 10 0 CEAERO C[C@H](c1ccccn1)[N@H+](C)C[C@H](O)COC(C)(C)C ZINC000091701972 180229921 /nfs/dbraw/zinc/22/99/21/180229921.db2.gz UOYBYHHGZXEOEX-OLZOCXBDSA-N 1 0 266.385 2.250 10 0 CEAERO CC[NH2+][C@@H](Cc1ccccc1Cl)[C@H]1CN(C)CCO1 ZINC000091718684 180233158 /nfs/dbraw/zinc/23/31/58/180233158.db2.gz MJUWEDAQBJSBFR-LSDHHAIUSA-N 1 0 282.815 2.191 10 0 CEAERO CC[NH2+][C@H](c1ccc(C)cc1C)[C@@H]1CN(C)CCO1 ZINC000091718219 180233464 /nfs/dbraw/zinc/23/34/64/180233464.db2.gz WIANEBVHUXBCNG-JKSUJKDBSA-N 1 0 262.397 2.285 10 0 CEAERO C[NH2+][C@H](CN(C)C)c1ccccc1OC(F)(F)F ZINC000091719691 180234047 /nfs/dbraw/zinc/23/40/47/180234047.db2.gz LGGDXJMQILFPCY-SNVBAGLBSA-N 1 0 262.275 2.407 10 0 CEAERO C[NH2+][C@H](C[C@@H]1Cc2ccccc21)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721033 180235631 /nfs/dbraw/zinc/23/56/31/180235631.db2.gz TYPJWFOGQBIQGA-IDCNUPLLSA-N 1 0 286.419 2.168 10 0 CEAERO Cc1cccc([C@H]([NH3+])[C@@H]2CN3CCC[C@@H]3CO2)c1C ZINC000091720657 180236364 /nfs/dbraw/zinc/23/63/64/180236364.db2.gz NOIYTHHQMXOFBE-KBMXLJTQSA-N 1 0 260.381 2.166 10 0 CEAERO Cc1cc(C)c([C@H]([NH3+])[C@@H]2CN3CCC[C@@H]3CO2)cc1C ZINC000091720182 180237094 /nfs/dbraw/zinc/23/70/94/180237094.db2.gz VFEWGWFFPJLXEK-PVAVHDDUSA-N 1 0 274.408 2.475 10 0 CEAERO C[NH2+][C@H](CCCc1ccccc1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721481 180237857 /nfs/dbraw/zinc/23/78/57/180237857.db2.gz ZYSVHDLMHPNNOE-KURKYZTESA-N 1 0 288.435 2.461 10 0 CEAERO C[NH2+][C@H](c1ccc(C)c(C)c1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721301 180238011 /nfs/dbraw/zinc/23/80/11/180238011.db2.gz HCPYJFLAIPSAGX-IXDOHACOSA-N 1 0 274.408 2.427 10 0 CEAERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1csc(Cl)c1 ZINC000624238218 350241269 /nfs/dbraw/zinc/24/12/69/350241269.db2.gz MNDZCLGACUIIGS-HGNGGELXSA-N 1 0 261.774 2.202 10 0 CEAERO CC[NH2+][C@H](Cc1ccc(C)cc1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721667 180238441 /nfs/dbraw/zinc/23/84/41/180238441.db2.gz SDRSOISBAQTORA-KZNAEPCWSA-N 1 0 288.435 2.379 10 0 CEAERO CCc1ccc(C(=O)N2C[C@H](CC)[NH2+]C[C@@H]2CC)o1 ZINC000091762860 180248465 /nfs/dbraw/zinc/24/84/65/180248465.db2.gz LJUKKTBYCPZLJK-RYUDHWBXSA-N 1 0 264.369 2.445 10 0 CEAERO CCc1ccc(C(=O)N(C)[C@H]2CCC[C@@H]2C[NH3+])o1 ZINC000091762943 180248634 /nfs/dbraw/zinc/24/86/34/180248634.db2.gz KXJQQABFVOJGCG-PWSUYJOCSA-N 1 0 250.342 2.041 10 0 CEAERO Cc1cccc(NC(=O)Cn2cccc2[C@H](C)[NH3+])c1 ZINC000091799852 180259476 /nfs/dbraw/zinc/25/94/76/180259476.db2.gz TXJBMBBZPONKBW-LBPRGKRZSA-N 1 0 257.337 2.455 10 0 CEAERO Cc1ccc(C)n1NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000091795817 180257747 /nfs/dbraw/zinc/25/77/47/180257747.db2.gz UIEUGISTEMWAOA-ILXRZTDVSA-N 1 0 275.396 2.486 10 0 CEAERO CC[NH2+][C@H](c1cccs1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091722023 180239831 /nfs/dbraw/zinc/23/98/31/180239831.db2.gz CZQRTVOZXVZPNH-BZPMIXESSA-N 1 0 266.410 2.262 10 0 CEAERO CC[NH2+][C@H](CCC(F)(F)F)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091722015 180239861 /nfs/dbraw/zinc/23/98/61/180239861.db2.gz DHTJQOKQQKQLDC-IJLUTSLNSA-N 1 0 280.334 2.170 10 0 CEAERO CC[NH2+][C@H](C)c1sc([C@@H]2CN(C)CCO2)nc1C ZINC000091722423 180240616 /nfs/dbraw/zinc/24/06/16/180240616.db2.gz VEIGEHNJENXWKP-KOLCDFICSA-N 1 0 269.414 2.125 10 0 CEAERO CC[NH2+][C@H](c1cc(F)cc(F)c1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721825 180240721 /nfs/dbraw/zinc/24/07/21/180240721.db2.gz SEKOYYFFPQGRLC-OWCLPIDISA-N 1 0 296.361 2.479 10 0 CEAERO Cc1nc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)sc1[C@@H](C)O ZINC000091722617 180241151 /nfs/dbraw/zinc/24/11/51/180241151.db2.gz WWLPAMCTRKPNPC-MXWKQRLJSA-N 1 0 268.382 2.041 10 0 CEAERO CN1CCO[C@@H](c2nc(C[NH3+])c(-c3ccccc3)s2)C1 ZINC000091723186 180241941 /nfs/dbraw/zinc/24/19/41/180241941.db2.gz UEHMDRYQMMQRDD-CYBMUJFWSA-N 1 0 289.404 2.272 10 0 CEAERO Cc1noc(CC[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)n1 ZINC000105469154 186059025 /nfs/dbraw/zinc/05/90/25/186059025.db2.gz NTFKKTVCTLYWEI-UHFFFAOYSA-N 1 0 287.363 2.424 10 0 CEAERO Cc1noc(CC[NH2+]Cc2c[nH]nc2-c2ccccc2)n1 ZINC000105469927 186059337 /nfs/dbraw/zinc/05/93/37/186059337.db2.gz QFJKCLSQXWNSHB-UHFFFAOYSA-N 1 0 283.335 2.100 10 0 CEAERO CCC[NH2+][C@H]1CCCC[C@H]1c1nc(CN(C)C)no1 ZINC000091747638 180245498 /nfs/dbraw/zinc/24/54/98/180245498.db2.gz XKXUTPJWZRFYIS-NEPJUHHUSA-N 1 0 266.389 2.157 10 0 CEAERO CCCN(C(=O)c1cccnc1OC)C1CCC([NH3+])CC1 ZINC000091851987 180272805 /nfs/dbraw/zinc/27/28/05/180272805.db2.gz NDKFSLUPNOKRDV-UHFFFAOYSA-N 1 0 291.395 2.212 10 0 CEAERO CCCN(C(=O)c1cnoc1C)C1CCC([NH3+])CC1 ZINC000091851980 180272982 /nfs/dbraw/zinc/27/29/82/180272982.db2.gz FWNPOISPEFDBIN-UHFFFAOYSA-N 1 0 265.357 2.105 10 0 CEAERO CCCN(C(=O)c1cscn1)C1CCC([NH3+])CC1 ZINC000091851933 180273078 /nfs/dbraw/zinc/27/30/78/180273078.db2.gz SQLKZSYMBOSNCV-UHFFFAOYSA-N 1 0 267.398 2.265 10 0 CEAERO CCOC(=O)c1ccc(N(CC)C2CCC([NH3+])CC2)nc1 ZINC000091851301 180273249 /nfs/dbraw/zinc/27/32/49/180273249.db2.gz GYTMQIBEMABCRT-UHFFFAOYSA-N 1 0 291.395 2.355 10 0 CEAERO C[N@H+](C[C@@H]1CCCCO1)C1CCC2(CC1)OCCO2 ZINC000091853508 180273699 /nfs/dbraw/zinc/27/36/99/180273699.db2.gz ANSSABPJAHEWDN-AWEZNQCLSA-N 1 0 269.385 2.173 10 0 CEAERO C[N@H+](CCc1ccccn1)C1CCC2(CC1)OCCO2 ZINC000091853512 180273719 /nfs/dbraw/zinc/27/37/19/180273719.db2.gz XPHGMNBHBIGTOA-UHFFFAOYSA-N 1 0 276.380 2.242 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)c2cccc(C)c2O)CC1 ZINC000091854428 180274294 /nfs/dbraw/zinc/27/42/94/180274294.db2.gz PGAOGRKJQHNHPB-UHFFFAOYSA-N 1 0 276.380 2.303 10 0 CEAERO C[NH2+][C@H](C)c1ccn(Cc2nccn2C(F)F)c1 ZINC000091804667 180259947 /nfs/dbraw/zinc/25/99/47/180259947.db2.gz ZFSOOTBFEXSQTQ-SECBINFHSA-N 1 0 254.284 2.408 10 0 CEAERO C[NH2+][C@@H](C)c1ccn(CC(=O)Nc2ccccc2OC)c1 ZINC000091804002 180260231 /nfs/dbraw/zinc/26/02/31/180260231.db2.gz YGSVDEWQZFIQJZ-LBPRGKRZSA-N 1 0 287.363 2.416 10 0 CEAERO CCC[NH2+][C@H](C)c1ccn(CCCS(=O)(=O)CC)c1 ZINC000091806719 180260423 /nfs/dbraw/zinc/26/04/23/180260423.db2.gz FQQDFMLEQHHTHA-CYBMUJFWSA-N 1 0 286.441 2.374 10 0 CEAERO CCNC(=O)CCn1ccc([C@H](CC)[NH2+]CC)c1 ZINC000091817293 180262848 /nfs/dbraw/zinc/26/28/48/180262848.db2.gz DWWWJRRSBNLKSQ-ZDUSSCGKSA-N 1 0 251.374 2.075 10 0 CEAERO CC[C@@H](C)NC(=O)Cn1ccc([C@H]([NH2+]C)C(C)C)c1 ZINC000091826612 180264986 /nfs/dbraw/zinc/26/49/86/180264986.db2.gz FGGXYBDCJGYCNM-IUODEOHRSA-N 1 0 265.401 2.319 10 0 CEAERO CC[C@H](C)NC(=O)Cn1ccc([C@H]([NH2+]C)C(C)C)c1 ZINC000091826614 180265272 /nfs/dbraw/zinc/26/52/72/180265272.db2.gz FGGXYBDCJGYCNM-SWLSCSKDSA-N 1 0 265.401 2.319 10 0 CEAERO CC[NH2+][C@@H](c1ccn(CC(=O)N(CC)CC)c1)C1CC1 ZINC000091837758 180267612 /nfs/dbraw/zinc/26/76/12/180267612.db2.gz UWJIJRBHDBGFPI-MRXNPFEDSA-N 1 0 277.412 2.417 10 0 CEAERO CCC[NH2+][C@H](c1ccn(C[C@H](C)C(N)=O)c1)C1CC1 ZINC000091838960 180268050 /nfs/dbraw/zinc/26/80/50/180268050.db2.gz YJXOLQAMARCIKB-FZMZJTMJSA-N 1 0 263.385 2.060 10 0 CEAERO COC(OC)[C@H](O)C1(C[NH3+])CCC(C(C)(C)C)CC1 ZINC000091925586 180287558 /nfs/dbraw/zinc/28/75/58/180287558.db2.gz VIZZKGMZJHYKCH-AVERBVTBSA-N 1 0 273.417 2.148 10 0 CEAERO C[C@@H]1CCC[C@](C[NH3+])(C2(O)CCC3(CC2)OCCO3)C1 ZINC000091924497 180287570 /nfs/dbraw/zinc/28/75/70/180287570.db2.gz VUVAYUZPTSRKEV-KGLIPLIRSA-N 1 0 283.412 2.190 10 0 CEAERO CCCN1C(=O)C[C@H]([NH2+]C(C)(C)CC(C)(C)C)C1=O ZINC000105647774 186067208 /nfs/dbraw/zinc/06/72/08/186067208.db2.gz SUWUUBRKJAAPOI-NSHDSACASA-N 1 0 268.401 2.328 10 0 CEAERO CN(C)C(=O)Nc1ccc(C(N)=[NH2+])c(C(F)(F)F)c1 ZINC000091961152 180293190 /nfs/dbraw/zinc/29/31/90/180293190.db2.gz DHVVWRWTOMQLMD-UHFFFAOYSA-N 1 0 274.246 2.083 10 0 CEAERO CCN(CC)C(=O)N(CCC[NH3+])c1cccc(OC)c1 ZINC000091961438 180293405 /nfs/dbraw/zinc/29/34/05/180293405.db2.gz VFPMEIPGMGDLFO-UHFFFAOYSA-N 1 0 279.384 2.312 10 0 CEAERO O=C(N1CCCCC1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000091969472 180294470 /nfs/dbraw/zinc/29/44/70/180294470.db2.gz NSGHFPLVSVPBNR-AWEZNQCLSA-N 1 0 265.401 2.056 10 0 CEAERO C[C@H]1CCC[C@@](C[NH3+])(N(C)C(=O)N2CCCCC2)C1 ZINC000091969093 180294595 /nfs/dbraw/zinc/29/45/95/180294595.db2.gz ABVSYPXOKCYRTO-DZGCQCFKSA-N 1 0 267.417 2.432 10 0 CEAERO CCN(C(=O)N1CCCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000091971168 180295066 /nfs/dbraw/zinc/29/50/66/180295066.db2.gz GZZNGASTDGLQGJ-CYBMUJFWSA-N 1 0 253.390 2.056 10 0 CEAERO [NH3+]C[C@]1([C@@H](O)c2ccccc2)COc2ccccc2C1 ZINC000091909521 180284622 /nfs/dbraw/zinc/28/46/22/180284622.db2.gz CKYFQTCXCBSWDM-IRXDYDNUSA-N 1 0 269.344 2.300 10 0 CEAERO COc1ccc([C@@H](O)C2(C[NH3+])CCC2)cc1OC(F)F ZINC000091909140 180284810 /nfs/dbraw/zinc/28/48/10/180284810.db2.gz ZDLMMBDVBIKYJM-GFCCVEGCSA-N 1 0 287.306 2.459 10 0 CEAERO COc1cc(OC)c([C@H](O)C2(C[NH3+])CCCC2)cc1OC ZINC000091910957 180285208 /nfs/dbraw/zinc/28/52/08/180285208.db2.gz RFECGPKEUFFQNP-HNNXBMFYSA-N 1 0 295.379 2.265 10 0 CEAERO [NH3+]C[C@]1([C@@H](O)c2csc3ccccc32)CCOC1 ZINC000091912257 180285221 /nfs/dbraw/zinc/28/52/21/180285221.db2.gz AUACOJVIDYGXRE-UONOGXRCSA-N 1 0 263.362 2.300 10 0 CEAERO CC(C)C1CCC(C[NH3+])([C@@H](O)[C@@H]2CCOC2)CC1 ZINC000091912160 180285270 /nfs/dbraw/zinc/28/52/70/180285270.db2.gz RZFNREFYXQNLJT-FUUBYGMNSA-N 1 0 255.402 2.175 10 0 CEAERO [NH3+]C[C@@]1([C@@H](O)c2ccoc2)CCc2ccccc2C1 ZINC000091912603 180285317 /nfs/dbraw/zinc/28/53/17/180285317.db2.gz NBMWBUDHRTUCMC-JKSUJKDBSA-N 1 0 257.333 2.447 10 0 CEAERO [NH3+]C[C@]1([C@@H](O)c2cccc3ccccc32)CCOC1 ZINC000091910289 180285368 /nfs/dbraw/zinc/28/53/68/180285368.db2.gz URNSWMIQCIAWLQ-JKSUJKDBSA-N 1 0 257.333 2.239 10 0 CEAERO [NH3+]CC1([C@]2(O)CCC[C@H](C3CC3)C2)CCOCC1 ZINC000091920300 180286552 /nfs/dbraw/zinc/28/65/52/180286552.db2.gz YUTHCUXJCGUFIU-ZFWWWQNUSA-N 1 0 253.386 2.073 10 0 CEAERO CCC1CCC(C[NH3+])([C@@]2(O)CCO[C@@H](C)C2)CC1 ZINC000091918514 180286627 /nfs/dbraw/zinc/28/66/27/180286627.db2.gz BYFAZGNNAPIKKV-VXGQWTEUSA-N 1 0 255.402 2.462 10 0 CEAERO CCN1CCO[C@H](COc2cccc([C@@H](C)[NH2+]C)c2)C1 ZINC000092051133 180311864 /nfs/dbraw/zinc/31/18/64/180311864.db2.gz HSEQMUJWDNXIJR-CJNGLKHVSA-N 1 0 278.396 2.067 10 0 CEAERO CCN1CCO[C@@H](COc2ccc(C)cc2[C@@H](C)[NH2+]C)C1 ZINC000092051183 180313044 /nfs/dbraw/zinc/31/30/44/180313044.db2.gz WPUQYFYOXBDTLC-HUUCEWRRSA-N 1 0 292.423 2.375 10 0 CEAERO CCN1CCO[C@H](C[NH2+]CC[C@@H](C)c2ccccc2)C1 ZINC000092052710 180313115 /nfs/dbraw/zinc/31/31/15/180313115.db2.gz OBHZEBSBWZQWDU-NVXWUHKLSA-N 1 0 276.424 2.491 10 0 CEAERO CCCC1CCC(C[NH3+])(OC[C@@H]2CN(C)CCO2)CC1 ZINC000092053560 180313408 /nfs/dbraw/zinc/31/34/08/180313408.db2.gz LJOBYNMGTFZPHA-PCKAHOCUSA-N 1 0 284.444 2.021 10 0 CEAERO CN(C(=O)N1CCCCCC1)[C@@H]1CCC[C@H]1C[NH3+] ZINC000091971703 180295464 /nfs/dbraw/zinc/29/54/64/180295464.db2.gz RZNKMTFDICXSSH-QWHCGFSZSA-N 1 0 253.390 2.042 10 0 CEAERO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)N1CCCCCC1 ZINC000091971613 180295584 /nfs/dbraw/zinc/29/55/84/180295584.db2.gz YVULULUUZQWXGH-CHWSQXEVSA-N 1 0 253.390 2.184 10 0 CEAERO CC1CCN(C(=O)N(CCC[NH3+])C2CCCC2)CC1 ZINC000091972585 180295871 /nfs/dbraw/zinc/29/58/71/180295871.db2.gz SBQMRZDWFKEVIX-UHFFFAOYSA-N 1 0 267.417 2.432 10 0 CEAERO CC[NH2+]C1CCC(NC(=O)N2CCC[C@@H](C)C2)CC1 ZINC000091972986 180296021 /nfs/dbraw/zinc/29/60/21/180296021.db2.gz NAOIGXUWPPOLLL-IYXRBSQSSA-N 1 0 267.417 2.349 10 0 CEAERO C[C@@H]1CCCN(C(=O)Nc2ccccc2OCC[NH3+])C1 ZINC000091972603 180296039 /nfs/dbraw/zinc/29/60/39/180296039.db2.gz MPVFQVLGURJWPI-GFCCVEGCSA-N 1 0 277.368 2.288 10 0 CEAERO CCC1CCC(C[NH3+])(N(C)C(=O)N(C)CC)CC1 ZINC000091972892 180296188 /nfs/dbraw/zinc/29/61/88/180296188.db2.gz PMDZPMCXIQZHNP-UHFFFAOYSA-N 1 0 255.406 2.288 10 0 CEAERO CCCN(C(=O)N1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000091973081 180297015 /nfs/dbraw/zinc/29/70/15/180297015.db2.gz UWAXIBIPIGHGSN-ZIAGYGMSSA-N 1 0 267.417 2.302 10 0 CEAERO CC1CCN(C(=O)N2CCC[C@@H]2C2CC[NH2+]CC2)CC1 ZINC000091973200 180297024 /nfs/dbraw/zinc/29/70/24/180297024.db2.gz KFDXQAWLQYEPPL-OAHLLOKOSA-N 1 0 279.428 2.302 10 0 CEAERO CCN(C)C(=O)N[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC000091990583 180299782 /nfs/dbraw/zinc/29/97/82/180299782.db2.gz IFCWNOWXNAJSJV-LBPRGKRZSA-N 1 0 253.390 2.103 10 0 CEAERO Cc1ccc(OC[C@H](O)C(F)(F)F)c(C[NH2+]C(C)C)n1 ZINC000091995546 180302326 /nfs/dbraw/zinc/30/23/26/180302326.db2.gz MXXBOKJAQAUSLN-LBPRGKRZSA-N 1 0 292.301 2.190 10 0 CEAERO CCCc1nc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)sc1CO ZINC000092004885 180305222 /nfs/dbraw/zinc/30/52/22/180305222.db2.gz WQJMFLKFZWQXNP-NEPJUHHUSA-N 1 0 295.452 2.261 10 0 CEAERO CC[NH2+]Cc1ccccc1S(=O)(=O)N1C[C@H](C)[C@@H](C)C1 ZINC000092113834 180327632 /nfs/dbraw/zinc/32/76/32/180327632.db2.gz CAFQABJASCHKQE-STQMWFEESA-N 1 0 296.436 2.073 10 0 CEAERO CCC(CC)N(CC(F)(F)F)C(=O)[C@@H](C)C[NH2+]C ZINC000092134521 180332046 /nfs/dbraw/zinc/33/20/46/180332046.db2.gz XEVCVRJGGVZIFT-VIFPVBQESA-N 1 0 268.323 2.421 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)N(Cc1ccccc1)CC(F)(F)F ZINC000092134184 180332180 /nfs/dbraw/zinc/33/21/80/180332180.db2.gz IKYQIXDQYLBPNP-LLVKDONJSA-N 1 0 288.313 2.433 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)N1CC=C(c2ccccc2)CC1 ZINC000092134301 180332276 /nfs/dbraw/zinc/33/22/76/180332276.db2.gz BVCCIBLZXAUZHF-ZDUSSCGKSA-N 1 0 258.365 2.158 10 0 CEAERO COC(C)(C)c1noc(CC[C@H]2CCCC[NH2+]2)n1 ZINC000092137731 180333776 /nfs/dbraw/zinc/33/37/76/180333776.db2.gz BODXGIWZKXUOIS-SNVBAGLBSA-N 1 0 253.346 2.026 10 0 CEAERO CCc1nn(C)c(C[C@@H]([NH2+]C)C(C)(C)OC)c1Cl ZINC000092138908 180333779 /nfs/dbraw/zinc/33/37/79/180333779.db2.gz JMUABNITQHHTCS-LLVKDONJSA-N 1 0 273.808 2.191 10 0 CEAERO C[C@H](O)CCC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000092151313 180334664 /nfs/dbraw/zinc/33/46/64/180334664.db2.gz HFMYTVVRGQLLBG-HNNXBMFYSA-N 1 0 296.455 2.452 10 0 CEAERO C[C@H]1C[NH+](CCC(=O)Nc2ccccc2N)C[C@@H]1C ZINC000092080711 180318817 /nfs/dbraw/zinc/31/88/17/180318817.db2.gz CNSXFYTXCIZCCT-RYUDHWBXSA-N 1 0 261.369 2.185 10 0 CEAERO COc1ccc(NC(=O)[C@H](C)[NH+]2C[C@H](C)[C@@H](C)C2)c(N)c1 ZINC000092081644 180319220 /nfs/dbraw/zinc/31/92/20/180319220.db2.gz DWNYJBPMOQBPLU-SRVKXCTJSA-N 1 0 291.395 2.192 10 0 CEAERO COCc1cccc([C@H](CN)[NH+]2C[C@H](C)[C@@H](C)C2)c1 ZINC000092082714 180319339 /nfs/dbraw/zinc/31/93/39/180319339.db2.gz JLMKYQSNUNVRHB-XEZPLFJOSA-N 1 0 262.397 2.421 10 0 CEAERO C[C@H]1CN(c2ncc(C[NH2+]C3CC3)s2)C[C@H]1C ZINC000092089671 180321828 /nfs/dbraw/zinc/32/18/28/180321828.db2.gz MSENHKCNDFNZQO-AOOOYVTPSA-N 1 0 251.399 2.487 10 0 CEAERO CCC[NH2+][C@@H](CN1C(=O)[C@H](C)[C@H](C)C1=O)c1ccccc1 ZINC000092094012 180322856 /nfs/dbraw/zinc/32/28/56/180322856.db2.gz ABUUGRJCLLRALI-GUTXKFCHSA-N 1 0 288.391 2.368 10 0 CEAERO CCc1ccc([C@H](CN2C(=O)[C@H](C)[C@H](C)C2=O)[NH2+]C)cc1 ZINC000092094122 180322969 /nfs/dbraw/zinc/32/29/69/180322969.db2.gz JNILZPDNTOOZPZ-ZOWXZIJZSA-N 1 0 288.391 2.151 10 0 CEAERO Cc1cc(C)c([C@H]([NH3+])CN2C(=O)[C@H](C)[C@H](C)C2=O)c(C)c1 ZINC000092094306 180323212 /nfs/dbraw/zinc/32/32/12/180323212.db2.gz MNMUCDQYGFBCJD-HZSPNIEDSA-N 1 0 288.391 2.253 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)Nc2cccc3ncccc32)C1 ZINC000092201274 180342844 /nfs/dbraw/zinc/34/28/44/180342844.db2.gz USLCVPSEMNQULR-WDEREUQCSA-N 1 0 253.305 2.077 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)NCc2cccc(C(F)(F)F)c2)C1 ZINC000092201271 180342886 /nfs/dbraw/zinc/34/28/86/180342886.db2.gz AMUXQYDEHUUXHL-ZYHUDNBSSA-N 1 0 284.281 2.225 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)Nc2ccc(F)cc2Cl)C1 ZINC000092201864 180343010 /nfs/dbraw/zinc/34/30/10/180343010.db2.gz FRLDATPYZQXDSI-CBAPKCEASA-N 1 0 254.692 2.321 10 0 CEAERO CCCN(Cc1ccccc1)C(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092202070 180343016 /nfs/dbraw/zinc/34/30/16/180343016.db2.gz LZWLFJFLLZRXQV-LSDHHAIUSA-N 1 0 258.365 2.329 10 0 CEAERO Cc1nc2ccc(NC(=O)[C@@H]3C=C[C@H]([NH3+])C3)cc2s1 ZINC000092202671 180343326 /nfs/dbraw/zinc/34/33/26/180343326.db2.gz UTOSAXSFHLVRTG-ZJUUUORDSA-N 1 0 273.361 2.447 10 0 CEAERO CN(C)c1ccc(Cl)cc1NC(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092203495 180343517 /nfs/dbraw/zinc/34/35/17/180343517.db2.gz ANISKEMGMMJGAB-GXSJLCMTSA-N 1 0 279.771 2.248 10 0 CEAERO CCOc1ccc([C@H](C)NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)cc1 ZINC000092203880 180343832 /nfs/dbraw/zinc/34/38/32/180343832.db2.gz NXURCRLOLMUQEZ-IACUBPJLSA-N 1 0 274.364 2.166 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)Nc2c3nsnc3ccc2Cl)C1 ZINC000092208366 180344835 /nfs/dbraw/zinc/34/48/35/180344835.db2.gz MOIDTKLBLCMJCI-RQJHMYQMSA-N 1 0 294.767 2.187 10 0 CEAERO CSc1ccc(C(=O)N[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000092231803 180347922 /nfs/dbraw/zinc/34/79/22/180347922.db2.gz LNXHYHITBRKKLQ-STQMWFEESA-N 1 0 264.394 2.408 10 0 CEAERO CSc1ccc(C(=O)N2[C@@H](C)C[NH2+]C[C@@H]2C)cc1 ZINC000092232194 180348547 /nfs/dbraw/zinc/34/85/47/180348547.db2.gz KVSNCMPZPOBERZ-QWRGUYRKSA-N 1 0 264.394 2.231 10 0 CEAERO [NH3+]CCCc1noc([C@H]2CSc3ccccc32)n1 ZINC000092240227 180351874 /nfs/dbraw/zinc/35/18/74/180351874.db2.gz KKBDIXHMHKQYRA-JTQLQIEISA-N 1 0 261.350 2.199 10 0 CEAERO CN(CC[NH2+]C1CC1)C[C@@H]1Cc2ccccc2S1 ZINC000092262988 180354999 /nfs/dbraw/zinc/35/49/99/180354999.db2.gz HURHDEICVBRQFO-AWEZNQCLSA-N 1 0 262.422 2.387 10 0 CEAERO CCC[NH2+]Cc1ncnn1C[C@H]1Cc2ccccc2S1 ZINC000092271267 180355654 /nfs/dbraw/zinc/35/56/54/180355654.db2.gz ZYNWIGNGEJSZIX-CYBMUJFWSA-N 1 0 288.420 2.495 10 0 CEAERO CN1C[C@@H]([NH2+]C[C@H]2CSc3ccccc32)CCC1=O ZINC000092275678 180356233 /nfs/dbraw/zinc/35/62/33/180356233.db2.gz SUYHISMTMPOOOH-RYUDHWBXSA-N 1 0 276.405 2.086 10 0 CEAERO Cc1ncc(C[NH3+])n1C[C@H]1Cc2ccccc2S1 ZINC000092271963 180356394 /nfs/dbraw/zinc/35/63/94/180356394.db2.gz PHDZAPDUMNTGSJ-CYBMUJFWSA-N 1 0 259.378 2.367 10 0 CEAERO c1cn(CC[NH2+]C[C@H]2CSc3ccccc32)cn1 ZINC000092275065 180356800 /nfs/dbraw/zinc/35/68/00/180356800.db2.gz ITTBEVFJFXFZCF-LBPRGKRZSA-N 1 0 259.378 2.362 10 0 CEAERO CC(C)([NH3+])c1cn(C[C@H]2CSc3ccccc32)nn1 ZINC000092292862 180357746 /nfs/dbraw/zinc/35/77/46/180357746.db2.gz HKENOBRKBXOOMY-JTQLQIEISA-N 1 0 274.393 2.361 10 0 CEAERO C[C@H](Cn1ccnc1)[NH2+]C[C@@H]1COc2ccccc21 ZINC000092300147 180358839 /nfs/dbraw/zinc/35/88/39/180358839.db2.gz MTADMULGFDIFLX-CHWSQXEVSA-N 1 0 257.337 2.037 10 0 CEAERO Cc1cnn(CC[NH2+]Cc2cc(F)ccc2F)c1 ZINC000105881929 186083106 /nfs/dbraw/zinc/08/31/06/186083106.db2.gz PNFPRTVTSRFCGX-UHFFFAOYSA-N 1 0 251.280 2.260 10 0 CEAERO C[C@@H](O)C[N@@H+]1CCN(CCc2ccccc2Cl)C[C@H]1C ZINC000105824618 186073608 /nfs/dbraw/zinc/07/36/08/186073608.db2.gz JFYFTCGYUVTWKM-ZIAGYGMSSA-N 1 0 296.842 2.269 10 0 CEAERO C[C@H]1CN(C[C@@H]2COc3ccccc32)C(C)(C)C[NH2+]1 ZINC000092307292 180360721 /nfs/dbraw/zinc/36/07/21/180360721.db2.gz UKVFCWRRHJZNCZ-QWHCGFSZSA-N 1 0 260.381 2.235 10 0 CEAERO CNC(=O)[C@@H](CC(C)C)[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000092196108 180341311 /nfs/dbraw/zinc/34/13/11/180341311.db2.gz IWQRUWBOPPIWPF-GXFFZTMASA-N 1 0 267.348 2.032 10 0 CEAERO Cc1nn(-c2nc3ccccc3[nH]2)c(C)c1C[C@H](C)[NH3+] ZINC000092320201 180361941 /nfs/dbraw/zinc/36/19/41/180361941.db2.gz CLNRJIFSMYPEBG-VIFPVBQESA-N 1 0 269.352 2.255 10 0 CEAERO CCc1nn(-c2cc(C)ccn2)c(CC)c1CC[NH2+]C ZINC000092322723 180362219 /nfs/dbraw/zinc/36/22/19/180362219.db2.gz ZSXMHGCKWXETON-UHFFFAOYSA-N 1 0 272.396 2.462 10 0 CEAERO CCC[C@H]1C[C@H]([NH2+]Cc2c(C)nn(C)c2C)CCO1 ZINC000092324238 180362470 /nfs/dbraw/zinc/36/24/70/180362470.db2.gz ACZYOBIXEYGQQV-KGLIPLIRSA-N 1 0 265.401 2.474 10 0 CEAERO CC[C@]1(C)C[C@H]([NH2+]Cc2c(C)nn(C)c2C)CCO1 ZINC000092325798 180362940 /nfs/dbraw/zinc/36/29/40/180362940.db2.gz GASOYCKLDJPNAI-UKRRQHHQSA-N 1 0 265.401 2.474 10 0 CEAERO COc1ccc(OC)c([C@@H](C[NH3+])NCc2ccccc2)c1 ZINC000106024076 186098674 /nfs/dbraw/zinc/09/86/74/186098674.db2.gz HJCMBBYPNWWNOP-MRXNPFEDSA-N 1 0 286.375 2.493 10 0 CEAERO CCOC(=O)[C@H](C)C[NH2+][C@H](C)c1c(C)noc1C ZINC000092332359 180364453 /nfs/dbraw/zinc/36/44/53/180364453.db2.gz YMIXREMMBCTCFL-RKDXNWHRSA-N 1 0 254.330 2.141 10 0 CEAERO CCOC(=O)[C@@H](C)C[NH2+][C@H](C)c1c(C)noc1C ZINC000092332357 180364633 /nfs/dbraw/zinc/36/46/33/180364633.db2.gz YMIXREMMBCTCFL-DTWKUNHWSA-N 1 0 254.330 2.141 10 0 CEAERO C[C@@H](O)C[N@@H+]1CCN(Cc2ccccc2Cl)C[C@H]1C ZINC000106101174 186101407 /nfs/dbraw/zinc/10/14/07/186101407.db2.gz MXPOFHOIRXIEET-CHWSQXEVSA-N 1 0 282.815 2.227 10 0 CEAERO COCCN1CC[N@H+](Cc2cccc3cccnc32)C[C@@H]1C ZINC000106108476 186103046 /nfs/dbraw/zinc/10/30/46/186103046.db2.gz UKFDANRSJGEQAO-HNNXBMFYSA-N 1 0 299.418 2.387 10 0 CEAERO COCCN(CCC(N)=[NH2+])Cc1ccnc2ccccc12 ZINC000092348158 180367495 /nfs/dbraw/zinc/36/74/95/180367495.db2.gz UBFIVHMXOBYEHN-UHFFFAOYSA-N 1 0 286.379 2.009 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1cccc(Cl)n1 ZINC000092366712 180369130 /nfs/dbraw/zinc/36/91/30/180369130.db2.gz FAWXFOGNXQLMQP-CLYYMRHHSA-N 1 0 251.761 2.189 10 0 CEAERO NNc1cccc(Cn2cc(-c3ccccc3)cn2)[nH+]1 ZINC000092371023 180369700 /nfs/dbraw/zinc/36/97/00/180369700.db2.gz GYGWMUJCJOLFMR-UHFFFAOYSA-N 1 0 265.320 2.279 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C[C@H](O)c1ccccc1F ZINC000106379278 186111797 /nfs/dbraw/zinc/11/17/97/186111797.db2.gz NYWHODGVKFPXJM-BBRMVZONSA-N 1 0 280.387 2.275 10 0 CEAERO Nc1cccc(C[NH+]2CCc3ccccc3CC2)n1 ZINC000092371104 180370528 /nfs/dbraw/zinc/37/05/28/180370528.db2.gz ZKOPIARSRJHYNR-UHFFFAOYSA-N 1 0 253.349 2.265 10 0 CEAERO CCc1nc(Cc2nc(C)cs2)nc(CC)c1CC[NH3+] ZINC000092318282 180361004 /nfs/dbraw/zinc/36/10/04/180361004.db2.gz BGRREIYVDCFJQR-UHFFFAOYSA-N 1 0 290.436 2.458 10 0 CEAERO Cc1cc(-c2nc3c(c(NN)[nH+]2)CCC3)cc(C)c1O ZINC000106865591 186143826 /nfs/dbraw/zinc/14/38/26/186143826.db2.gz DRZBOKGZECTUGE-UHFFFAOYSA-N 1 0 270.336 2.240 10 0 CEAERO COC(=O)CCS[C@@H]1CCc2ccc(OC)cc2[C@H]1[NH3+] ZINC000092389404 180375669 /nfs/dbraw/zinc/37/56/69/180375669.db2.gz ADUFHXRNOLRYDY-UKRRQHHQSA-N 1 0 295.404 2.306 10 0 CEAERO CC[NH2+][C@@H]1c2cc(OC)ccc2CC[C@@H]1SCCO ZINC000092389473 180375688 /nfs/dbraw/zinc/37/56/88/180375688.db2.gz DGOUTAWUAXSPAC-LSDHHAIUSA-N 1 0 281.421 2.386 10 0 CEAERO COc1ccc(C[C@@H](C)[NH2+][C@@H](CO)C(C)C)cc1 ZINC000092393876 180375850 /nfs/dbraw/zinc/37/58/50/180375850.db2.gz NRUFHXGDDKFYFL-DOMZBBRYSA-N 1 0 251.370 2.233 10 0 CEAERO COc1cc(CNC2=[NH+][C@@H](C(C)C)CS2)ccn1 ZINC000092402657 180378445 /nfs/dbraw/zinc/37/84/45/180378445.db2.gz IVXKHEUZENPHKM-LLVKDONJSA-N 1 0 265.382 2.307 10 0 CEAERO COc1ccc(OCc2cccc(C)n2)c(CC[NH3+])c1 ZINC000092431836 180384050 /nfs/dbraw/zinc/38/40/50/180384050.db2.gz DRODXRAIZBUDOG-UHFFFAOYSA-N 1 0 272.348 2.479 10 0 CEAERO CN1CCN(Cc2cc(N)cc[nH+]2)[C@H](c2ccccc2)C1 ZINC000092418013 180380701 /nfs/dbraw/zinc/38/07/01/180380701.db2.gz OTSXFSJYNQPTRQ-KRWDZBQOSA-N 1 0 282.391 2.153 10 0 CEAERO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1Cc1cc(Cl)ccn1 ZINC000092417405 180381121 /nfs/dbraw/zinc/38/11/21/180381121.db2.gz IZYNYOYNTWYKJS-GXFFZTMASA-N 1 0 265.788 2.165 10 0 CEAERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1Cc1cc(Cl)ccn1 ZINC000092417401 180381181 /nfs/dbraw/zinc/38/11/81/180381181.db2.gz IZYNYOYNTWYKJS-ZWNOBZJWSA-N 1 0 265.788 2.165 10 0 CEAERO COc1ccc(CC[NH3+])cc1OCc1cccc(C)n1 ZINC000092431868 180384162 /nfs/dbraw/zinc/38/41/62/180384162.db2.gz PSTBTMABQDCFNF-UHFFFAOYSA-N 1 0 272.348 2.479 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@@H](n1ccnc1C)CC2 ZINC000092386058 180373524 /nfs/dbraw/zinc/37/35/24/180373524.db2.gz HNCKXJPVBWPNSY-GJZGRUSLSA-N 1 0 257.337 2.387 10 0 CEAERO CC[NH2+][C@H]1c2cc(OC)ccc2CC[C@H]1n1cncn1 ZINC000092386016 180373592 /nfs/dbraw/zinc/37/35/92/180373592.db2.gz HBDKNCLRJNAEAU-CABCVRRESA-N 1 0 272.352 2.125 10 0 CEAERO CC(C)Sc1ccc(CNC(=O)CC[NH3+])cc1 ZINC000107295617 186168415 /nfs/dbraw/zinc/16/84/15/186168415.db2.gz MNEDVSDOLOPCMS-UHFFFAOYSA-N 1 0 252.383 2.152 10 0 CEAERO Cc1ccnc2c1nc(N)n2C[C@H](C)[NH+]1CCCCC1 ZINC000092550793 180404779 /nfs/dbraw/zinc/40/47/79/180404779.db2.gz UQCYCRRJDUQCJK-LBPRGKRZSA-N 1 0 273.384 2.196 10 0 CEAERO O=C(CC[N@H+]1[C@@H]2CC[C@H]1CC(O)C2)Nc1cccc(F)c1 ZINC000107924309 186198112 /nfs/dbraw/zinc/19/81/12/186198112.db2.gz HXUWEMWJSTWCRV-YIONKMFJSA-N 1 0 292.354 2.142 10 0 CEAERO Cc1ccc(OCC[N@H+]2[C@@H]3CC[C@H]2CC(O)C3)cc1 ZINC000107927609 186198475 /nfs/dbraw/zinc/19/84/75/186198475.db2.gz BQQPUCJHBNZAQE-YIONKMFJSA-N 1 0 261.365 2.362 10 0 CEAERO CC(C)(C[NH2+][C@H](c1ccccc1)C1CC1)NS(C)(=O)=O ZINC000109040860 186241345 /nfs/dbraw/zinc/24/13/45/186241345.db2.gz IKJVWHUXZYZBQZ-CQSZACIVSA-N 1 0 296.436 2.055 10 0 CEAERO C[NH2+][C@H](C)[C@@H](c1nc(-c2ccncc2)no1)C(C)C ZINC000109498541 186256474 /nfs/dbraw/zinc/25/64/74/186256474.db2.gz SRPCJHKMIPZTMF-PWSUYJOCSA-N 1 0 260.341 2.479 10 0 CEAERO C[NH2+][C@@H]1CCCC[C@@H]1c1nc(-c2ccccn2)no1 ZINC000109497395 186256480 /nfs/dbraw/zinc/25/64/80/186256480.db2.gz RVFWSSSNWCQOCM-WDEREUQCSA-N 1 0 258.325 2.377 10 0 CEAERO CCC[NH2+][C@@H](C)[C@@H](CC)c1nc(-c2cnccn2)no1 ZINC000109507116 186257111 /nfs/dbraw/zinc/25/71/11/186257111.db2.gz YYCZJNWXXMVOAJ-WDEREUQCSA-N 1 0 275.356 2.408 10 0 CEAERO CC[C@@H](Cc1nc(-c2ccc(OC)c(OC)c2)no1)[NH2+]C ZINC000109505691 186257423 /nfs/dbraw/zinc/25/74/23/186257423.db2.gz ZRWAITOVWHSBND-NSHDSACASA-N 1 0 291.351 2.294 10 0 CEAERO CC[NH2+][C@H](COC)Cc1nc(-c2ccc(CC)cc2)no1 ZINC000109505962 186257836 /nfs/dbraw/zinc/25/78/36/186257836.db2.gz RIZKEIUWYPKKME-AWEZNQCLSA-N 1 0 289.379 2.466 10 0 CEAERO C[NH2+][C@@H](Cc1nc(Cc2cccnc2)no1)C(C)(C)C ZINC000109510714 186258290 /nfs/dbraw/zinc/25/82/90/186258290.db2.gz RVRGAONCZYDGCK-LBPRGKRZSA-N 1 0 274.368 2.232 10 0 CEAERO CCC[NH2+][C@H](C)CCc1nc(CC(F)(F)F)no1 ZINC000109517386 186259106 /nfs/dbraw/zinc/25/91/06/186259106.db2.gz VPMDAXZJGWMTDB-MRVPVSSYSA-N 1 0 265.279 2.495 10 0 CEAERO CNC(=O)c1ccc(N)c(NCC[NH+](C(C)C)C(C)C)c1 ZINC000109531209 186260336 /nfs/dbraw/zinc/26/03/36/186260336.db2.gz SRVUMWVXMARQPF-UHFFFAOYSA-N 1 0 292.427 2.159 10 0 CEAERO CCCCOC[C@@H](O)C[N@@H+]1CCC(F)(F)C[C@H]1C ZINC000625980896 350619626 /nfs/dbraw/zinc/61/96/26/350619626.db2.gz WSYKOAUQLIRKTQ-NEPJUHHUSA-N 1 0 265.344 2.284 10 0 CEAERO [NH3+]Cc1ccc(CNC(=O)c2cccc(F)c2)c(F)c1 ZINC000109540131 186261036 /nfs/dbraw/zinc/26/10/36/186261036.db2.gz QRAJSKHYKNTPLX-UHFFFAOYSA-N 1 0 276.286 2.354 10 0 CEAERO CCc1c(C)nn(-c2ccc3c(c2)NC(=O)[C@@H]3[NH2+]C)c1C ZINC000109572994 186263386 /nfs/dbraw/zinc/26/33/86/186263386.db2.gz BGGBSZLJGHVLBX-OAHLLOKOSA-N 1 0 284.363 2.264 10 0 CEAERO CC[NH2+][C@@H]1c2ccc(OCCOC(C)C)cc2NC1=O ZINC000109574048 186263761 /nfs/dbraw/zinc/26/37/61/186263761.db2.gz ARHIRSBGNSCXGG-CQSZACIVSA-N 1 0 278.352 2.093 10 0 CEAERO C[NH2+][C@H]1C(=O)Nc2cc(-n3cnc4ccccc43)ccc21 ZINC000109572870 186263833 /nfs/dbraw/zinc/26/38/33/186263833.db2.gz NMMBCAPBKKFUDW-OAHLLOKOSA-N 1 0 278.315 2.238 10 0 CEAERO C[C@@H](O)c1c(F)cccc1N1CCC[C@H]1C[NH+](C)C ZINC000109584205 186264214 /nfs/dbraw/zinc/26/42/14/186264214.db2.gz VOFBJPARWDBHTL-NEPJUHHUSA-N 1 0 266.360 2.409 10 0 CEAERO C[NH2+][C@@H]1C(=O)Nc2cc(Oc3cccc(CO)c3)ccc21 ZINC000109576623 186264482 /nfs/dbraw/zinc/26/44/82/186264482.db2.gz MKFOUWNQBPAPFH-HNNXBMFYSA-N 1 0 284.315 2.184 10 0 CEAERO C[NH2+]Cc1cc(OCCCOC)c2ccccc2n1 ZINC000109589942 186264907 /nfs/dbraw/zinc/26/49/07/186264907.db2.gz UUKUAODNPSECBK-UHFFFAOYSA-N 1 0 260.337 2.370 10 0 CEAERO C[C@@H]1CN(c2cc(CO)[nH+]c3ccccc32)CCCO1 ZINC000109594747 186265025 /nfs/dbraw/zinc/26/50/25/186265025.db2.gz SZZVHIYNOMOJSY-GFCCVEGCSA-N 1 0 272.348 2.342 10 0 CEAERO C[NH2+]Cc1cc(-n2nc(C)nc2C)c2ccccc2n1 ZINC000109589647 186265146 /nfs/dbraw/zinc/26/51/46/186265146.db2.gz VENLBOJGJNFSFK-UHFFFAOYSA-N 1 0 267.336 2.152 10 0 CEAERO Nc1cccc(F)c1C[N@@H+]1CCC[C@H]1CCCO ZINC000109427820 186251777 /nfs/dbraw/zinc/25/17/77/186251777.db2.gz AIDDMUKMWMMORN-NSHDSACASA-N 1 0 252.333 2.145 10 0 CEAERO CC[C@H](C[NH3+])N1CCN(C(=O)C[C@@H](C)CC(C)(C)C)CC1 ZINC000109448801 186252720 /nfs/dbraw/zinc/25/27/20/186252720.db2.gz XUGXVHSTWHWCJS-HUUCEWRRSA-N 1 0 297.487 2.330 10 0 CEAERO CC[C@@H](C(N)=S)[NH+]1CCN(CCC(C)(C)C)CC1 ZINC000109469261 186253674 /nfs/dbraw/zinc/25/36/74/186253674.db2.gz BVOCJSZCTYAWPF-LBPRGKRZSA-N 1 0 271.474 2.105 10 0 CEAERO C[C@@H](C(N)=S)[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000109468835 186254034 /nfs/dbraw/zinc/25/40/34/186254034.db2.gz GOUZQCNJKPMFSB-NSHDSACASA-N 1 0 297.855 2.132 10 0 CEAERO CCC[C@H](C(N)=S)[NH+]1CCN(CCC(C)(C)C)CC1 ZINC000109470069 186254155 /nfs/dbraw/zinc/25/41/55/186254155.db2.gz IYRZEYGFLMUXNI-CYBMUJFWSA-N 1 0 285.501 2.495 10 0 CEAERO CCC[C@H](C(N)=S)[NH+]1CCN(C(=O)C(C)(C)CC)CC1 ZINC000109464694 186254216 /nfs/dbraw/zinc/25/42/16/186254216.db2.gz WGTGMTXXDGQOEC-GFCCVEGCSA-N 1 0 299.484 2.022 10 0 CEAERO CCC[C@H](c1nc(C)cc(C2CC2)n1)N1CC[NH2+]CC1 ZINC000109476127 186254746 /nfs/dbraw/zinc/25/47/46/186254746.db2.gz KMMWZWXAHDLBOJ-OAHLLOKOSA-N 1 0 274.412 2.409 10 0 CEAERO CC[C@@H](c1nc2c(s1)CSCC2)N1CC[NH2+]CC1 ZINC000109472644 186254823 /nfs/dbraw/zinc/25/48/23/186254823.db2.gz QGUCDYMDNKQABU-NSHDSACASA-N 1 0 283.466 2.289 10 0 CEAERO CCC[C@@H](c1noc(-c2ccco2)n1)N1CC[NH2+]CC1 ZINC000109475000 186254916 /nfs/dbraw/zinc/25/49/16/186254916.db2.gz XVVDGAZTHRANJZ-NSHDSACASA-N 1 0 276.340 2.076 10 0 CEAERO CC[C@@H](c1nccc(C2CCCC2)n1)N1CC[NH2+]CC1 ZINC000109475810 186254928 /nfs/dbraw/zinc/25/49/28/186254928.db2.gz ZEXUXJXPMNBCAH-HNNXBMFYSA-N 1 0 274.412 2.491 10 0 CEAERO CC(C)c1cc(C(C)C)nc(CN2CC[NH2+]CC2)n1 ZINC000109475530 186254930 /nfs/dbraw/zinc/25/49/30/186254930.db2.gz GOTVNVCSKVVJGZ-UHFFFAOYSA-N 1 0 262.401 2.129 10 0 CEAERO Cc1ccc(C)c(-c2nc([C@@H](C)N3CC[NH2+]CC3)no2)c1 ZINC000109474068 186255285 /nfs/dbraw/zinc/25/52/85/186255285.db2.gz DQPHNKWRGLYUGU-CYBMUJFWSA-N 1 0 286.379 2.320 10 0 CEAERO CC(=O)N[C@@H]1CCC[N@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000110107514 186285887 /nfs/dbraw/zinc/28/58/87/186285887.db2.gz GFJBYGFZNIAFKL-OAHLLOKOSA-N 1 0 299.374 2.041 10 0 CEAERO Cc1ccc(C(N)=S)c(N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000110278492 186289587 /nfs/dbraw/zinc/28/95/87/186289587.db2.gz PCKXMVLLSJXNFB-ZDUSSCGKSA-N 1 0 289.448 2.304 10 0 CEAERO CCc1nc(N2CC[C@@H]([NH+](CC)CC)C2)sc1C=O ZINC000110272189 186289715 /nfs/dbraw/zinc/28/97/15/186289715.db2.gz QPVUULRMPULWGE-LLVKDONJSA-N 1 0 281.425 2.439 10 0 CEAERO FC(F)(F)c1cnc(NC[C@H]2COCC[NH2+]2)c(Cl)c1 ZINC000236140942 539804250 /nfs/dbraw/zinc/80/42/50/539804250.db2.gz YAHAMRRYYLQQMJ-QMMMGPOBSA-N 1 0 295.692 2.154 10 0 CEAERO CC[C@@H](c1nc(Cc2cccnc2)no1)[C@@H](C)[NH2+]C ZINC000110461315 186297599 /nfs/dbraw/zinc/29/75/99/186297599.db2.gz UPLQMSKDSWAHQF-ZYHUDNBSSA-N 1 0 260.341 2.157 10 0 CEAERO CC[NH2+][C@H](CO[C@@H]1CCOC1)c1ccc(OC)cc1 ZINC000110526236 186300644 /nfs/dbraw/zinc/30/06/44/186300644.db2.gz MLAKGJMUJOADMW-HUUCEWRRSA-N 1 0 265.353 2.151 10 0 CEAERO COc1ccc([C@@H](C[NH2+]C2CC2)O[C@H]2CCOC2)cc1 ZINC000110529979 186301500 /nfs/dbraw/zinc/30/15/00/186301500.db2.gz KTSVGQSIXGPTEY-JKSUJKDBSA-N 1 0 277.364 2.294 10 0 CEAERO CCC[NH2+][C@@H](Cc1nc(C)cs1)[C@@H]1CCOC1 ZINC000110533886 186302133 /nfs/dbraw/zinc/30/21/33/186302133.db2.gz UDQXMSBOKAXCDS-NEPJUHHUSA-N 1 0 254.399 2.399 10 0 CEAERO CC[C@](C)([NH3+])c1noc([C@@H]2COc3ccccc3C2)n1 ZINC000110540949 186302771 /nfs/dbraw/zinc/30/27/71/186302771.db2.gz HBNRGKCNIZHZIE-NHYWBVRUSA-N 1 0 273.336 2.372 10 0 CEAERO C[C@@H]1C[C@@H](C)CCN1C(=O)Cc1ccc(C[NH3+])cc1 ZINC000110613987 186305225 /nfs/dbraw/zinc/30/52/25/186305225.db2.gz HOZOTEIKXPKKDI-QWHCGFSZSA-N 1 0 260.381 2.335 10 0 CEAERO [NH3+]Cc1ccc(CC(=O)Nc2ccccc2F)cc1 ZINC000110611688 186305928 /nfs/dbraw/zinc/30/59/28/186305928.db2.gz NKGAZNKKVRHMLC-UHFFFAOYSA-N 1 0 258.296 2.466 10 0 CEAERO CCCOc1cc(NCC[NH+](C)C)c(N)cc1F ZINC000110635973 186307353 /nfs/dbraw/zinc/30/73/53/186307353.db2.gz LVCGKKSSFACUEP-UHFFFAOYSA-N 1 0 255.337 2.170 10 0 CEAERO Cc1cc(C)cc(S(=O)(=O)N2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000110648355 186309669 /nfs/dbraw/zinc/30/96/69/186309669.db2.gz JSZCEFVLNYWQCT-CYBMUJFWSA-N 1 0 296.436 2.051 10 0 CEAERO O=C(NCC[C@@H]1CC[NH2+]C1)c1cc(Cl)cn1C1CC1 ZINC000110796558 186325701 /nfs/dbraw/zinc/32/57/01/186325701.db2.gz ZJCRFCWUKMMKMW-JTQLQIEISA-N 1 0 281.787 2.206 10 0 CEAERO CCC[C@@]1(C(=O)N2CCC[C@@H](C)CC2)CC[NH2+]C1 ZINC000110814540 186326255 /nfs/dbraw/zinc/32/62/55/186326255.db2.gz SSQVYCYEUPKIPZ-UKRRQHHQSA-N 1 0 252.402 2.415 10 0 CEAERO CN(CC1CCCC1)c1nc2c(cc1C(N)=[NH2+])CCC2 ZINC000110837278 186328734 /nfs/dbraw/zinc/32/87/34/186328734.db2.gz CZCUNOAGRULFEF-UHFFFAOYSA-N 1 0 272.396 2.481 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cnn(C)c1)N(C)CC1CCCC1 ZINC000110832416 186329003 /nfs/dbraw/zinc/32/90/03/186329003.db2.gz BATBPFXVHRWESF-CABCVRRESA-N 1 0 264.417 2.321 10 0 CEAERO CC(C)OCCC[NH2+]Cc1[nH]nnc1-c1ccccc1 ZINC000110924497 186333414 /nfs/dbraw/zinc/33/34/14/186333414.db2.gz AJWWAOPQDZTWOR-UHFFFAOYSA-N 1 0 274.368 2.376 10 0 CEAERO COc1ccc(OC)c([C@@H](C)N(C)[C@@H]2CCC[NH2+]C2)c1 ZINC000110926187 186333635 /nfs/dbraw/zinc/33/36/35/186333635.db2.gz JKXDJOBNYLPBIQ-CHWSQXEVSA-N 1 0 278.396 2.449 10 0 CEAERO Cc1sc2ncnc(N(C)[C@@H]3CCC[NH2+]C3)c2c1C ZINC000110932259 186333664 /nfs/dbraw/zinc/33/36/64/186333664.db2.gz MHLMDOQHONZPPJ-LLVKDONJSA-N 1 0 276.409 2.496 10 0 CEAERO CC(C)(C)[NH2+]CC(=O)N(Cc1ccco1)C1CC1 ZINC000110935378 186334263 /nfs/dbraw/zinc/33/42/63/186334263.db2.gz UWJZDGJFGKIVFV-UHFFFAOYSA-N 1 0 250.342 2.159 10 0 CEAERO CCN(Cc1ccc2c(c1)OCCCO2)[C@@H]1CCC[NH2+]C1 ZINC000110935976 186334416 /nfs/dbraw/zinc/33/44/16/186334416.db2.gz TZYHQJKGGCWFEG-OAHLLOKOSA-N 1 0 290.407 2.422 10 0 CEAERO CCN(Cc1ccc(NC(C)=O)cc1)[C@H]1CCC[NH2+]C1 ZINC000110936315 186334936 /nfs/dbraw/zinc/33/49/36/186334936.db2.gz UOXZHIFDDARKRX-INIZCTEOSA-N 1 0 275.396 2.219 10 0 CEAERO CCCN(C(=O)c1cccn1CC)[C@H]1CCC[NH2+]C1 ZINC000110940926 186335010 /nfs/dbraw/zinc/33/50/10/186335010.db2.gz XHNJQYPFNPHTKD-ZDUSSCGKSA-N 1 0 263.385 2.112 10 0 CEAERO CCN(CC(=O)Nc1ccc(C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000110943568 186335356 /nfs/dbraw/zinc/33/53/56/186335356.db2.gz VRALXNGAYFLZNI-OAHLLOKOSA-N 1 0 275.396 2.007 10 0 CEAERO CCN(CC(=O)Nc1cccc(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000110943063 186335741 /nfs/dbraw/zinc/33/57/41/186335741.db2.gz VDGUUSCLKQINPK-AWEZNQCLSA-N 1 0 295.814 2.352 10 0 CEAERO CCCN(CCC)C(=O)CN(CCC)[C@@H]1CCC[NH2+]C1 ZINC000110946607 186335828 /nfs/dbraw/zinc/33/58/28/186335828.db2.gz YRGXPYLXILJCBK-OAHLLOKOSA-N 1 0 283.460 2.099 10 0 CEAERO CCN(CC(=O)Nc1ccc(C)c(C)c1)[C@@H]1CCC[NH2+]C1 ZINC000110943506 186335953 /nfs/dbraw/zinc/33/59/53/186335953.db2.gz WSRPSLOGKRRQPI-MRXNPFEDSA-N 1 0 289.423 2.316 10 0 CEAERO CCN(CC(=O)Nc1cccc(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000110943058 186335987 /nfs/dbraw/zinc/33/59/87/186335987.db2.gz VDGUUSCLKQINPK-CQSZACIVSA-N 1 0 295.814 2.352 10 0 CEAERO CCCCOC[C@H](O)C[N@@H+]1CCCC2(CC2)CC1 ZINC000626115051 350658260 /nfs/dbraw/zinc/65/82/60/350658260.db2.gz DPVMOALSHDXBBB-CQSZACIVSA-N 1 0 255.402 2.430 10 0 CEAERO Cc1ccc([C@@H](C)[NH3+])c(O[C@@H](C)C(=O)NC2CC2)c1 ZINC000110958216 186336912 /nfs/dbraw/zinc/33/69/12/186336912.db2.gz RCMVNAHKZWQWNK-MNOVXSKESA-N 1 0 262.353 2.061 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccc(C)cc1OCCC(N)=O ZINC000110961611 186337843 /nfs/dbraw/zinc/33/78/43/186337843.db2.gz SDQYVUWBAIKPKX-LBPRGKRZSA-N 1 0 264.369 2.310 10 0 CEAERO COCCCN(C)[C@@H](C[NH3+])c1ccc(C)c(F)c1 ZINC000110977885 186339542 /nfs/dbraw/zinc/33/95/42/186339542.db2.gz XUCAXNJQJYXKPS-AWEZNQCLSA-N 1 0 254.349 2.102 10 0 CEAERO CCNc1ccc(C(=O)N2CC[N@H+](C)[C@H](CC)C2)cc1 ZINC000110696976 186314358 /nfs/dbraw/zinc/31/43/58/186314358.db2.gz VUNUXOOKYJTLAE-OAHLLOKOSA-N 1 0 275.396 2.285 10 0 CEAERO CC[C@H]1CN(Cc2ccc(N)c3cccnc23)CC[N@@H+]1C ZINC000110703586 186314945 /nfs/dbraw/zinc/31/49/45/186314945.db2.gz AVTQCERTNFZYJO-AWEZNQCLSA-N 1 0 284.407 2.343 10 0 CEAERO NC(=[NH2+])c1cccc(COc2ccccc2CO)c1 ZINC000110993793 186340968 /nfs/dbraw/zinc/34/09/68/186340968.db2.gz XZNDTQLLBFSRGJ-UHFFFAOYSA-N 1 0 256.305 2.042 10 0 CEAERO C[C@H]1C[N@@H+]([C@@H](CC(N)=S)c2ccccc2)CCN1C ZINC000110719679 186316698 /nfs/dbraw/zinc/31/66/98/186316698.db2.gz GMNIGOYEDWFTFN-JSGCOSHPSA-N 1 0 277.437 2.040 10 0 CEAERO CCOc1ccc([C@@H](O)CN2CC[N@H+](C)[C@@H](CC)C2)cc1 ZINC000110736272 186317311 /nfs/dbraw/zinc/31/73/11/186317311.db2.gz PFRQBWHDAHZOTC-RDJZCZTQSA-N 1 0 292.423 2.145 10 0 CEAERO C[C@H]1C[N@H+](CCCC(=O)c2ccccc2)CCN1C ZINC000110727227 186317552 /nfs/dbraw/zinc/31/75/52/186317552.db2.gz ITDWEXBXWYPEHV-AWEZNQCLSA-N 1 0 260.381 2.285 10 0 CEAERO CCN1CC[N@@H+]([C@@H]2CCc3ccccc3[C@@H]2O)C[C@@H]1C ZINC000110735689 186318003 /nfs/dbraw/zinc/31/80/03/186318003.db2.gz QLFXLDCJNFRBQK-XKQJLSEDSA-N 1 0 274.408 2.061 10 0 CEAERO C[C@H](C[N@@H+]1CCN(C)[C@@H](C)C1)C(=O)c1ccccc1 ZINC000110743644 186319345 /nfs/dbraw/zinc/31/93/45/186319345.db2.gz WTCAWCJKUJWIIU-KGLIPLIRSA-N 1 0 260.381 2.141 10 0 CEAERO CCCNc1ncccc1CN1CC[N@H+](C)C(C)(C)C1 ZINC000110743231 186319358 /nfs/dbraw/zinc/31/93/58/186319358.db2.gz AXCHHTRPCFJGBT-UHFFFAOYSA-N 1 0 276.428 2.430 10 0 CEAERO CCCn1cccc1C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000110792021 186324512 /nfs/dbraw/zinc/32/45/12/186324512.db2.gz BAUJQGHMRBFHPL-ZDUSSCGKSA-N 1 0 263.385 2.018 10 0 CEAERO O[C@H]1C[NH2+]C[C@@H]1Oc1ccc(Oc2ccccc2)cc1 ZINC000111059751 186348845 /nfs/dbraw/zinc/34/88/45/186348845.db2.gz PGWPVWNQSXHYBB-HOTGVXAUSA-N 1 0 271.316 2.190 10 0 CEAERO O[C@@H]1C[NH2+]C[C@H]1Sc1ncc(C(F)(F)F)cc1Cl ZINC000111060276 186349239 /nfs/dbraw/zinc/34/92/39/186349239.db2.gz UESFULGRNQUCKT-HTQZYQBOSA-N 1 0 298.717 2.179 10 0 CEAERO C[NH2+][C@@H](C)c1c(F)cccc1SCCS(C)(=O)=O ZINC000111005130 186342555 /nfs/dbraw/zinc/34/25/55/186342555.db2.gz UIMNOOLHUAIVAR-VIFPVBQESA-N 1 0 291.413 2.243 10 0 CEAERO C[C@@H](C[NH+]1CCCC1)NC(=O)c1c(N)cccc1Cl ZINC000111011693 186343089 /nfs/dbraw/zinc/34/30/89/186343089.db2.gz GOKUGRLFEXXAAG-JTQLQIEISA-N 1 0 281.787 2.136 10 0 CEAERO NC(=[NH2+])c1cc(F)ccc1OCc1ccc2c(c1)OCO2 ZINC000111035110 186346472 /nfs/dbraw/zinc/34/64/72/186346472.db2.gz VZWZNMBDKWVRHZ-UHFFFAOYSA-N 1 0 288.278 2.417 10 0 CEAERO CCN(C[C@H]1CCCO1)[C@@H](C[NH3+])c1cccc(F)c1F ZINC000111039536 186346834 /nfs/dbraw/zinc/34/68/34/186346834.db2.gz ILMXAYPPZMPEQU-RISCZKNCSA-N 1 0 284.350 2.466 10 0 CEAERO NC(=[NH2+])c1cc(F)ccc1N(CCO)C1CCCCC1 ZINC000111034299 186347075 /nfs/dbraw/zinc/34/70/75/186347075.db2.gz XNRPXJABMSISAA-UHFFFAOYSA-N 1 0 279.359 2.241 10 0 CEAERO C[N@@H+]1CCC[C@H](CNc2ccc(F)cc2C(N)=S)C1 ZINC000111032093 186347262 /nfs/dbraw/zinc/34/72/62/186347262.db2.gz OKDWQEKNFQNWAS-SNVBAGLBSA-N 1 0 281.400 2.214 10 0 CEAERO CN(Cc1ccncc1)c1ccc(F)cc1C(N)=[NH2+] ZINC000111033694 186347271 /nfs/dbraw/zinc/34/72/71/186347271.db2.gz CAGDVILXWZOSAH-UHFFFAOYSA-N 1 0 258.300 2.141 10 0 CEAERO C[C@@H](N)[C@@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111154406 186360746 /nfs/dbraw/zinc/36/07/46/186360746.db2.gz UKZNCLFGKQCVRV-YCPHGPKFSA-N 1 0 262.397 2.433 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1cccnc1)N(C)CC1CCOCC1 ZINC000111155731 186362941 /nfs/dbraw/zinc/36/29/41/186362941.db2.gz XAWOAFSTUMTNPT-HZPDHXFCSA-N 1 0 277.412 2.218 10 0 CEAERO NNc1[nH+]cc(C(=O)NC[C@@H]2C[C@H]3CC[C@@H]2C3)cc1Cl ZINC000111104336 186352695 /nfs/dbraw/zinc/35/26/95/186352695.db2.gz FBVRAHRGKXHXNN-AEJSXWLSSA-N 1 0 294.786 2.187 10 0 CEAERO CCCOCCO[C@@H]1COc2ccccc2[C@@H]1[NH2+]C ZINC000111108047 186354036 /nfs/dbraw/zinc/35/40/36/186354036.db2.gz IXXHZKYPYHSUHW-CABCVRRESA-N 1 0 265.353 2.151 10 0 CEAERO CCOCCN(CC)[C@@](C)(C[NH3+])Cc1ccc(OC)cc1 ZINC000111117969 186354446 /nfs/dbraw/zinc/35/44/46/186354446.db2.gz KBXVHXKEHHVCRV-QGZVFWFLSA-N 1 0 294.439 2.314 10 0 CEAERO CCOCC[N@H+](CC)C[C@](C)(CO)c1ccccc1 ZINC000111123267 186355136 /nfs/dbraw/zinc/35/51/36/186355136.db2.gz SKCAVGQTERCJQS-MRXNPFEDSA-N 1 0 265.397 2.295 10 0 CEAERO CCOCC[N@H+](CC)C[C@H](O)c1ccc(OC)cc1 ZINC000111121468 186355459 /nfs/dbraw/zinc/35/54/59/186355459.db2.gz KCJGWHURMXZTEQ-HNNXBMFYSA-N 1 0 267.369 2.087 10 0 CEAERO CCOCCN(CC)[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000111119690 186355702 /nfs/dbraw/zinc/35/57/02/186355702.db2.gz UHUYBIPQJUTQAV-AWEZNQCLSA-N 1 0 263.385 2.412 10 0 CEAERO C[C@@H](O)c1ccc(N(C)CC[NH+](C)C)c(Cl)c1 ZINC000111139264 186357573 /nfs/dbraw/zinc/35/75/73/186357573.db2.gz GZRAHSOGPHXQCM-SNVBAGLBSA-N 1 0 256.777 2.391 10 0 CEAERO CC(=O)c1ccccc1OCCN(C)CCC[NH+](C)C ZINC000111139936 186357689 /nfs/dbraw/zinc/35/76/89/186357689.db2.gz WIOYUGBATAYKTJ-UHFFFAOYSA-N 1 0 278.396 2.152 10 0 CEAERO Cc1ccc(C)c(C(=O)[C@H](C)N(C)CC[NH+](C)C)c1 ZINC000111139742 186357721 /nfs/dbraw/zinc/35/77/21/186357721.db2.gz SJZHSWBBJLQKQS-AWEZNQCLSA-N 1 0 262.397 2.368 10 0 CEAERO CCCOc1ccc([C@@H](O)CN(C)CCC[NH+](C)C)cc1 ZINC000111143851 186359199 /nfs/dbraw/zinc/35/91/99/186359199.db2.gz JTTHYDPZVXCSGJ-KRWDZBQOSA-N 1 0 294.439 2.392 10 0 CEAERO COc1cccc([C@@H]([C@H](C)[NH3+])N(C)C[C@@H]2CCCOC2)c1 ZINC000111154620 186360344 /nfs/dbraw/zinc/36/03/44/186360344.db2.gz BCSQAZUBAGCSNV-GRDNDAEWSA-N 1 0 292.423 2.442 10 0 CEAERO Cc1ccc([C@H]2CCCC[N@@H+]2CCN2C(=O)CCC2=O)o1 ZINC000130925934 366005006 /nfs/dbraw/zinc/00/50/06/366005006.db2.gz WFGJNFBXUNIFGC-CYBMUJFWSA-N 1 0 290.363 2.264 10 0 CEAERO C[N@H+](C[C@H]1CCCOC1)C[C@@H]1CCCCCC1=O ZINC000111171156 186365319 /nfs/dbraw/zinc/36/53/19/186365319.db2.gz KVTNKLAFRADVOZ-KGLIPLIRSA-N 1 0 253.386 2.494 10 0 CEAERO C[N@H+](CC1CCOCC1)C[C@@H]1Cc2ccccc2CN1 ZINC000111179296 186366575 /nfs/dbraw/zinc/36/65/75/186366575.db2.gz UBNSFABJRXOOOF-KRWDZBQOSA-N 1 0 274.408 2.059 10 0 CEAERO [NH3+]Cc1ccc(NC(=O)c2ccc3c(c2)COC3)cc1 ZINC000111304872 186394131 /nfs/dbraw/zinc/39/41/31/186394131.db2.gz BZNMNENCWSJAQT-UHFFFAOYSA-N 1 0 268.316 2.428 10 0 CEAERO [NH3+][C@H]1CCCCC[C@H]1NC(=O)c1ccc2c(c1)COC2 ZINC000111306398 186394272 /nfs/dbraw/zinc/39/42/72/186394272.db2.gz OPBJVAWDZVANQS-LSDHHAIUSA-N 1 0 274.364 2.107 10 0 CEAERO [NH3+]C[C@@H]([C@H]1CCCOC1)N1CCC2(CCCC2)CC1 ZINC000111321274 186397819 /nfs/dbraw/zinc/39/78/19/186397819.db2.gz DNMMEBDBHHPMAL-GJZGRUSLSA-N 1 0 266.429 2.397 10 0 CEAERO C[NH2+]C[C@]1(CN(CC(F)(F)F)C(C)C)CCCOC1 ZINC000111326194 186398479 /nfs/dbraw/zinc/39/84/79/186398479.db2.gz XPWZSLKLJMKMPA-LBPRGKRZSA-N 1 0 282.350 2.275 10 0 CEAERO CC(C)(C)[NH2+]C[C@@]1(CN2CCSCC2)CCCOC1 ZINC000111324545 186398924 /nfs/dbraw/zinc/39/89/24/186398924.db2.gz UPMXFJRSOLBUHG-OAHLLOKOSA-N 1 0 286.485 2.220 10 0 CEAERO CN(CC1CCOCC1)[C@H](C[NH3+])c1ccsc1 ZINC000111239108 186374530 /nfs/dbraw/zinc/37/45/30/186374530.db2.gz ARYJOADBJYDMEL-CYBMUJFWSA-N 1 0 254.399 2.106 10 0 CEAERO CCOCCN(CC)[C@@H](C[NH3+])c1cccc(F)c1 ZINC000111238862 186375090 /nfs/dbraw/zinc/37/50/90/186375090.db2.gz WVFZJEOEVWHPIC-AWEZNQCLSA-N 1 0 254.349 2.184 10 0 CEAERO O=C(Nc1cccc2n[nH]cc21)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111244734 186375421 /nfs/dbraw/zinc/37/54/21/186375421.db2.gz BBZGUNAJUQPTEU-LBPRGKRZSA-N 1 0 298.268 2.043 10 0 CEAERO O=C(Nc1cccc2c[nH]nc21)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111244504 186376193 /nfs/dbraw/zinc/37/61/93/186376193.db2.gz XSWSSIWFWLKXJG-GFCCVEGCSA-N 1 0 298.268 2.043 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1c1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000111256550 186379403 /nfs/dbraw/zinc/37/94/03/186379403.db2.gz IFZDYVLCMWREEO-HTRCEHHLSA-N 1 0 283.253 2.477 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1c1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000111256547 186379754 /nfs/dbraw/zinc/37/97/54/186379754.db2.gz IFZDYVLCMWREEO-XPUUQOCRSA-N 1 0 283.253 2.477 10 0 CEAERO COc1ccccc1-c1noc([C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000111256389 186379869 /nfs/dbraw/zinc/37/98/69/186379869.db2.gz CLRLLJMXZOZMTL-MWLCHTKSSA-N 1 0 259.309 2.068 10 0 CEAERO COc1ccc2nc(NC(=O)[C@@H]3C[NH2+]C[C@@H]3C)sc2c1 ZINC000111263246 186380660 /nfs/dbraw/zinc/38/06/60/186380660.db2.gz FYNTUQQOXJEMLR-WCBMZHEXSA-N 1 0 291.376 2.099 10 0 CEAERO CCOc1ccc(OCC)c(NC(=O)[C@@H]2C[NH2+]C[C@@H]2C)c1 ZINC000111262983 186380717 /nfs/dbraw/zinc/38/07/17/186380717.db2.gz XHKJVUNSPYVUMV-WCQYABFASA-N 1 0 292.379 2.278 10 0 CEAERO Cc1nc(-c2ccc(NC(=O)[C@H]3C[NH2+]C[C@H]3C)cc2)co1 ZINC000111265774 186381723 /nfs/dbraw/zinc/38/17/23/186381723.db2.gz ONSCVXHDFXDTSI-YGRLFVJLSA-N 1 0 285.347 2.444 10 0 CEAERO CCCOC(=O)c1ccc(NC(=O)[C@H]2C[NH2+]C[C@H]2C)cc1 ZINC000111271396 186383888 /nfs/dbraw/zinc/38/38/88/186383888.db2.gz GMZTWJYZGJOYML-RISCZKNCSA-N 1 0 290.363 2.047 10 0 CEAERO CC(C)N(Cc1cccs1)C(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000111271806 186384489 /nfs/dbraw/zinc/38/44/89/186384489.db2.gz PRXPUNQMVYHSHT-YPMHNXCESA-N 1 0 266.410 2.341 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000111272593 186385114 /nfs/dbraw/zinc/38/51/14/186385114.db2.gz FXQQKGPODXXZBM-CABZTGNLSA-N 1 0 286.297 2.177 10 0 CEAERO Cc1ccc(N(C)C(=O)c2ccc(C[NH3+])cn2)c(C)c1 ZINC000111282215 186387693 /nfs/dbraw/zinc/38/76/93/186387693.db2.gz LIKOUKJDLRURIK-UHFFFAOYSA-N 1 0 269.348 2.434 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)c1ccc2[nH]ccc2c1 ZINC000111288935 186390625 /nfs/dbraw/zinc/39/06/25/186390625.db2.gz YXAABAPIJRFBRT-GXTWGEPZSA-N 1 0 257.337 2.168 10 0 CEAERO CCN(C(=O)c1ccc2cc[nH]c2c1)C1CC[NH2+]CC1 ZINC000111288928 186390815 /nfs/dbraw/zinc/39/08/15/186390815.db2.gz UPBWBSJXFIFDTQ-UHFFFAOYSA-N 1 0 271.364 2.382 10 0 CEAERO C[NH2+]C[C@@H]1CCCCN1C(=O)c1ccc2[nH]ccc2c1 ZINC000111289138 186390993 /nfs/dbraw/zinc/39/09/93/186390993.db2.gz DAKIEHQGCQFKJH-AWEZNQCLSA-N 1 0 271.364 2.382 10 0 CEAERO CC[C@H](C)N(CCOC)c1nc2ccccn2c1CC[NH3+] ZINC000111485376 186422297 /nfs/dbraw/zinc/42/22/97/186422297.db2.gz ANDHHKRWAMNBDB-ZDUSSCGKSA-N 1 0 290.411 2.087 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc(F)ccc1N(CCOC)CCOC ZINC000111509272 186424572 /nfs/dbraw/zinc/42/45/72/186424572.db2.gz VYKWSHNHTZQZTB-OAHLLOKOSA-N 1 0 298.402 2.205 10 0 CEAERO Cc1cnn(-c2nc3ccccc3cc2CC[NH3+])c1 ZINC000111512905 186425815 /nfs/dbraw/zinc/42/58/15/186425815.db2.gz IHYSSEJGZPKVGB-UHFFFAOYSA-N 1 0 252.321 2.230 10 0 CEAERO C[C@H]([NH3+])Cc1ccccc1Sc1ncnc2[nH]cnc21 ZINC000111585112 186429888 /nfs/dbraw/zinc/42/98/88/186429888.db2.gz ZIUZUHPVGJGKMN-VIFPVBQESA-N 1 0 285.376 2.394 10 0 CEAERO CC(C)(C)[NH2+]C[C@H]1CCN(Cc2cscn2)C1 ZINC000111627820 186433634 /nfs/dbraw/zinc/43/36/34/186433634.db2.gz JXLJFCMREYVVHG-LLVKDONJSA-N 1 0 253.415 2.353 10 0 CEAERO Cc1ncsc1C[N@H+](C)C[C@H](O)c1ccccc1N ZINC000111666164 186439711 /nfs/dbraw/zinc/43/97/11/186439711.db2.gz WKAOXOBOVMWTSU-ZDUSSCGKSA-N 1 0 277.393 2.199 10 0 CEAERO C[C@H]1C[C@@H]1CN(C)C(=O)C1(C[NH3+])CCCCCC1 ZINC000111733350 186451144 /nfs/dbraw/zinc/45/11/44/186451144.db2.gz GKUBUTNBNBTGDC-QWHCGFSZSA-N 1 0 252.402 2.400 10 0 CEAERO Fc1ccc2nc(CCOC3CC[NH2+]CC3)oc2c1 ZINC000111756811 186453709 /nfs/dbraw/zinc/45/37/09/186453709.db2.gz MLTGSOONUXTRDG-UHFFFAOYSA-N 1 0 264.300 2.278 10 0 CEAERO Cc1cc(C)cc(NC(=O)CCOC2CC[NH2+]CC2)c1 ZINC000111799776 186459007 /nfs/dbraw/zinc/45/90/07/186459007.db2.gz DYKANZTUCMCLEJ-UHFFFAOYSA-N 1 0 276.380 2.401 10 0 CEAERO Cc1nn(C)c(N(C)C2CCCCCC2)c1C(N)=[NH2+] ZINC000111358274 186405242 /nfs/dbraw/zinc/40/52/42/186405242.db2.gz OKXWVMHDCRJEME-UHFFFAOYSA-N 1 0 263.389 2.172 10 0 CEAERO [NH3+]C[C@H](Cc1ccccc1)NC(=O)CCc1ccccc1 ZINC000111365943 186406492 /nfs/dbraw/zinc/40/64/92/186406492.db2.gz QFNIVMSINLFLJU-KRWDZBQOSA-N 1 0 282.387 2.305 10 0 CEAERO C[C@@H]1CCC[C@@](C[NH3+])(Nc2ccnc(C(=O)N(C)C)c2)C1 ZINC000111378847 186409261 /nfs/dbraw/zinc/40/92/61/186409261.db2.gz XWSVUEHTDPQLPY-MLGOLLRUSA-N 1 0 290.411 2.103 10 0 CEAERO [NH3+][C@@H]1Cc2ccccc2[C@H]1Nc1ncnc2c1CCC2 ZINC000111377321 186409300 /nfs/dbraw/zinc/40/93/00/186409300.db2.gz SXHQYSRVHIZUNB-UKRRQHHQSA-N 1 0 266.348 2.002 10 0 CEAERO CC[C@H](c1nc2c(s1)CCCC2)N1CC[NH2+]CC1 ZINC000112768262 186530986 /nfs/dbraw/zinc/53/09/86/186530986.db2.gz WOWLLDINUVUGDF-GFCCVEGCSA-N 1 0 265.426 2.378 10 0 CEAERO CCCN(CC(=O)Nc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000113282870 186568658 /nfs/dbraw/zinc/56/86/58/186568658.db2.gz RCJZOVMBZWHHBF-OAHLLOKOSA-N 1 0 293.386 2.228 10 0 CEAERO CCN(Cc1ccoc1)C(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000629600422 351428955 /nfs/dbraw/zinc/42/89/55/351428955.db2.gz XJKBNQBXRIHBLK-YPMHNXCESA-N 1 0 250.342 2.016 10 0 CEAERO CO[C@H]1C[NH2+][C@](C)(c2nc(-c3cccs3)no2)C1 ZINC000629676117 351462923 /nfs/dbraw/zinc/46/29/23/351462923.db2.gz CMHIXZOEXDASRT-PELKAZGASA-N 1 0 265.338 2.022 10 0 CEAERO C[C@H]1CCN(C(=O)C(C)(C)c2ccccc2)C[C@@H]1[NH3+] ZINC000070146240 363036681 /nfs/dbraw/zinc/03/66/81/363036681.db2.gz QNTASXPLNNJKFR-JSGCOSHPSA-N 1 0 260.381 2.160 10 0 CEAERO C[C@@H]([NH3+])[C@@H]1CCCN(c2ncnc3ccsc32)C1 ZINC000070175118 363048941 /nfs/dbraw/zinc/04/89/41/363048941.db2.gz YSPFNQMZMGFTRO-NXEZZACHSA-N 1 0 262.382 2.255 10 0 CEAERO CC[C@H](C)C[NH2+][C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000120542866 186907140 /nfs/dbraw/zinc/90/71/40/186907140.db2.gz OIOHYXALLHDLSL-NWDGAFQWSA-N 1 0 250.390 2.352 10 0 CEAERO C[C@H]1CN(C(=O)C2CCC3(CC3)CC2)C[C@@H]1C[NH3+] ZINC000630090967 351615143 /nfs/dbraw/zinc/61/51/43/351615143.db2.gz DMMHYWQIYGXPAH-AAEUAGOBSA-N 1 0 250.386 2.010 10 0 CEAERO COc1cccnc1N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000630094702 351616710 /nfs/dbraw/zinc/61/67/10/351616710.db2.gz WTESIOPYKUYKRU-VHSXEESVSA-N 1 0 289.301 2.054 10 0 CEAERO CC[C@H](CC(=O)N1C[C@@H](OC)C[C@]1(C)C[NH3+])C(C)(C)C ZINC000630376088 351716578 /nfs/dbraw/zinc/71/65/78/351716578.db2.gz SWYXFVOECJRGGI-DVOMOZLQSA-N 1 0 284.444 2.414 10 0 CEAERO [NH3+]C1CCN(c2nccn3nc(-c4ccccc4)cc23)CC1 ZINC000070458571 363086005 /nfs/dbraw/zinc/08/60/05/363086005.db2.gz KFHVLPMGIRWWCZ-UHFFFAOYSA-N 1 0 293.374 2.324 10 0 CEAERO Cc1ccccc1-c1ccc(N2CCC[NH2+]CC2)nn1 ZINC000070458903 363086104 /nfs/dbraw/zinc/08/61/04/363086104.db2.gz WGRTVAGXRRGWOA-UHFFFAOYSA-N 1 0 268.364 2.252 10 0 CEAERO Fc1ccc(-c2cc(N3CCC[NH2+]CC3)n[nH]2)cc1 ZINC000070460000 363087231 /nfs/dbraw/zinc/08/72/31/363087231.db2.gz PCMHTXKKYMXYOS-UHFFFAOYSA-N 1 0 260.316 2.016 10 0 CEAERO CCc1ccc(-c2cc(N3CCC[NH2+]CC3)n[nH]2)cc1 ZINC000070459995 363087420 /nfs/dbraw/zinc/08/74/20/363087420.db2.gz GMLIAGFCVPTHBU-UHFFFAOYSA-N 1 0 270.380 2.439 10 0 CEAERO CO[C@H]1CN(Cc2sccc2Cl)[C@](C)(C[NH3+])C1 ZINC000630367353 351714405 /nfs/dbraw/zinc/71/44/05/351714405.db2.gz OBYLUEBKQSFQFJ-SKDRFNHKSA-N 1 0 274.817 2.340 10 0 CEAERO [NH3+]C[C@H]1CC[C@H](Nc2nccc(C(F)(F)F)n2)CC1 ZINC000630558168 351785415 /nfs/dbraw/zinc/78/54/15/351785415.db2.gz XOOXTHYAAQKGQH-KYZUINATSA-N 1 0 274.290 2.425 10 0 CEAERO Cc1cnccc1NC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000122108899 187015509 /nfs/dbraw/zinc/01/55/09/187015509.db2.gz WIHSPOVZECBNOT-GXTWGEPZSA-N 1 0 276.384 2.240 10 0 CEAERO [NH3+]C[C@@H]1CCCN1Cc1ccccc1OC(F)F ZINC000123446745 187092497 /nfs/dbraw/zinc/09/24/97/187092497.db2.gz GKCQMCZYBGTGSC-NSHDSACASA-N 1 0 256.296 2.211 10 0 CEAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000092952898 539830846 /nfs/dbraw/zinc/83/08/46/539830846.db2.gz VOWWZEFBQAZXNP-MMWGEVLESA-N 1 0 278.318 2.222 10 0 CEAERO C[C@H](NC(=O)[C@H]1CC[NH2+][C@@H]1C)c1ccc(F)cc1F ZINC000092951845 539831555 /nfs/dbraw/zinc/83/15/55/539831555.db2.gz ZTEZQPDQQIKJBN-PTRXPTGYSA-N 1 0 268.307 2.140 10 0 CEAERO COc1ccc2c3c1O[C@@H]1C[C@@H](O)CC[C@@]31CC[N@@H+](C)C2 ZINC000072190031 363120990 /nfs/dbraw/zinc/12/09/90/363120990.db2.gz GJRMHIXYLGOZSE-QEORTHHSSA-N 1 0 289.375 2.074 10 0 CEAERO O[C@H](C[C@@H]1CCC[N@@H+]1Cc1ncc[nH]1)c1ccccc1 ZINC000072867144 363173193 /nfs/dbraw/zinc/17/31/93/363173193.db2.gz TXXZPIWLXUPJAF-LSDHHAIUSA-N 1 0 271.364 2.498 10 0 CEAERO CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NC[C@H](C)[NH3+])cc1 ZINC000249089659 539844866 /nfs/dbraw/zinc/84/48/66/539844866.db2.gz KALHGTVHYGJINZ-GLQYFDAESA-N 1 0 260.381 2.377 10 0 CEAERO [NH3+]C1(CC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)CCC1 ZINC000094294118 539874340 /nfs/dbraw/zinc/87/43/40/539874340.db2.gz XBLPOAOTRGGPRZ-VHSXEESVSA-N 1 0 278.318 2.495 10 0 CEAERO [NH3+]C1(CC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)CCC1 ZINC000094294120 539874347 /nfs/dbraw/zinc/87/43/47/539874347.db2.gz XBLPOAOTRGGPRZ-UWVGGRQHSA-N 1 0 278.318 2.495 10 0 CEAERO [NH3+]C1(CC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)CCC1 ZINC000094294121 539874365 /nfs/dbraw/zinc/87/43/65/539874365.db2.gz XBLPOAOTRGGPRZ-ZJUUUORDSA-N 1 0 278.318 2.495 10 0 CEAERO CCN1CCO[C@H](C[NH2+]C2C[C@H](C)C[C@@H](C)C2)C1 ZINC000252649646 539884832 /nfs/dbraw/zinc/88/48/32/539884832.db2.gz XJAFXPKTIOKFQT-UMVBOHGHSA-N 1 0 254.418 2.121 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@H](C)c2ccc(OC)cc2F)C1 ZINC000252761566 539899086 /nfs/dbraw/zinc/89/90/86/539899086.db2.gz XYUQIXPWVNYLAL-TZMCWYRMSA-N 1 0 296.386 2.206 10 0 CEAERO Cc1cc(C(=O)N[C@H]2CCCC[C@H]2[NH3+])c(F)cc1F ZINC000137335707 187896894 /nfs/dbraw/zinc/89/68/94/187896894.db2.gz FMOYUAXRQQLBCO-OLZOCXBDSA-N 1 0 268.307 2.273 10 0 CEAERO CCCN(C(=O)[C@@H]1C[C@H]2C[C@H]2C1)C1CC[NH2+]CC1 ZINC000250005037 539963231 /nfs/dbraw/zinc/96/32/31/539963231.db2.gz IZXZBHKKWYMSPT-CLLJXQQHSA-N 1 0 250.386 2.023 10 0 CEAERO C[C@H](O)C[C@@H]1CCC[N@@H+]1C[C@](C)(O)c1ccccc1 ZINC000153275636 188074662 /nfs/dbraw/zinc/07/46/62/188074662.db2.gz FMLNMIINFLSOSM-BPUTZDHNSA-N 1 0 263.381 2.129 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000250808937 539968751 /nfs/dbraw/zinc/96/87/51/539968751.db2.gz JVNQQAIXQXFOII-ZQDZILKHSA-N 1 0 258.365 2.034 10 0 CEAERO CCC[C@H](C(=O)N1CCO[C@@H](c2ccsc2)C1)[NH+](C)C ZINC000154273403 188133552 /nfs/dbraw/zinc/13/35/52/188133552.db2.gz MPRNKEKBWQOCJT-ZIAGYGMSSA-N 1 0 296.436 2.378 10 0 CEAERO CC[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(F)cc1F ZINC000154953177 188172878 /nfs/dbraw/zinc/17/28/78/188172878.db2.gz BVBKIMSQXZFYKV-SWLSCSKDSA-N 1 0 284.350 2.336 10 0 CEAERO Cc1ccc(CC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)s1 ZINC000155308818 188198323 /nfs/dbraw/zinc/19/83/23/188198323.db2.gz VBYWXOKGXZKRAY-SMDDNHRTSA-N 1 0 280.437 2.444 10 0 CEAERO CCC[C@@H](C(=O)Nc1cccc(CC(=O)OC)c1)[NH+](C)C ZINC000156106865 188243595 /nfs/dbraw/zinc/24/35/95/188243595.db2.gz PQOPBQHPOPSWKL-AWEZNQCLSA-N 1 0 292.379 2.071 10 0 CEAERO FC(F)(F)c1ccc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)nc1 ZINC000261580877 282920786 /nfs/dbraw/zinc/92/07/86/282920786.db2.gz FSASLCUAFDRPDH-NXEZZACHSA-N 1 0 271.286 2.146 10 0 CEAERO Cn1nc(C2CCCCC2)cc1NC(=O)[C@H]1CC[NH2+]C1 ZINC000161536030 188533875 /nfs/dbraw/zinc/53/38/75/188533875.db2.gz BKSXYQYSTQFRIE-LBPRGKRZSA-N 1 0 276.384 2.016 10 0 CEAERO COc1cc(C)ccc1CNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000161556430 188534530 /nfs/dbraw/zinc/53/45/30/188534530.db2.gz BYQHDVDHWAKBBS-JSGCOSHPSA-N 1 0 276.380 2.137 10 0 CEAERO CCC[C@@H](C(=O)NC[C@@H](C)Oc1ccccc1)[NH+](C)C ZINC000162143386 188562656 /nfs/dbraw/zinc/56/26/56/188562656.db2.gz LCKZVNSUFHVEBX-HIFRSBDPSA-N 1 0 278.396 2.300 10 0 CEAERO CC[C@@H]1CCN(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)C1 ZINC000132492068 366148516 /nfs/dbraw/zinc/14/85/16/366148516.db2.gz ADMVZFKZMBEQEE-BFHYXJOUSA-N 1 0 267.417 2.157 10 0 CEAERO Cc1cc(F)ccc1CCNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000132681683 366164230 /nfs/dbraw/zinc/16/42/30/366164230.db2.gz HDIYNLLYNYKMMV-OAHLLOKOSA-N 1 0 293.386 2.022 10 0 CEAERO C[NH2+][C@H]1CCN2CCc3c4ccccc4[nH]c3[C@@H]2C1 ZINC000169321534 188657991 /nfs/dbraw/zinc/65/79/91/188657991.db2.gz BSLOAXMBORIDEA-NHYWBVRUSA-N 1 0 255.365 2.449 10 0 CEAERO CNc1nc(NC2CC=CC2)ncc1Br ZINC000133330685 366212624 /nfs/dbraw/zinc/21/26/24/366212624.db2.gz RPRWQPHYJUKIDC-UHFFFAOYSA-N 1 0 269.146 2.411 10 0 CEAERO CCCC(=O)N[C@@H]1CCC[N@H+](CCc2cccnc2)C1 ZINC000172159596 188785213 /nfs/dbraw/zinc/78/52/13/188785213.db2.gz UHRPYLAJANQLIU-OAHLLOKOSA-N 1 0 275.396 2.005 10 0 CEAERO [NH3+]CC[C@@H](O)c1cc(Br)ccc1Cl ZINC000083557811 540118407 /nfs/dbraw/zinc/11/84/07/540118407.db2.gz PVDIYZKJFNOKIC-SECBINFHSA-N 1 0 264.550 2.485 10 0 CEAERO C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)[C@@H]1CC[NH3+] ZINC000404301118 540121098 /nfs/dbraw/zinc/12/10/98/540121098.db2.gz ZOWIYYIKMDDWTR-RKQHYHRCSA-N 1 0 250.386 2.008 10 0 CEAERO Cc1nnc([C@H](C)[NH2+]C[C@@](C)(O)c2ccccc2)s1 ZINC000273587650 192217416 /nfs/dbraw/zinc/21/74/16/192217416.db2.gz IGOILBYITKTKIZ-IINYFYTJSA-N 1 0 277.393 2.405 10 0 CEAERO C[C@H](C[NH2+][C@H]1CCc2ncnn2C1)Cc1ccccc1 ZINC000133867034 366262825 /nfs/dbraw/zinc/26/28/25/366262825.db2.gz SYOTVFPRULIVQG-ZFWWWQNUSA-N 1 0 270.380 2.061 10 0 CEAERO CC1([C@@H](O)c2cscc2Br)C[NH2+]C1 ZINC000575493481 366291621 /nfs/dbraw/zinc/29/16/21/366291621.db2.gz FGIIOIDCJWSDKE-QMMMGPOBSA-N 1 0 262.172 2.154 10 0 CEAERO [NH3+]C1([C@H](O)c2cscc2Br)CCC1 ZINC000575498242 366291997 /nfs/dbraw/zinc/29/19/97/366291997.db2.gz VFBLLZAMISSRNB-MRVPVSSYSA-N 1 0 262.172 2.425 10 0 CEAERO Cc1sc2ncnc(N[C@@H](C)CC[NH3+])c2c1C ZINC000134269476 366305711 /nfs/dbraw/zinc/30/57/11/366305711.db2.gz SIMQOTQJDPNIRY-ZETCQYMHSA-N 1 0 250.371 2.457 10 0 CEAERO O[C@H](c1cscc1Br)[C@@H]1CC[NH2+]C1 ZINC000575512768 366292974 /nfs/dbraw/zinc/29/29/74/366292974.db2.gz ATVCAQIOVFHNSV-MUWHJKNJSA-N 1 0 262.172 2.154 10 0 CEAERO COc1c(C[NH2+]CCc2cc(F)cc(F)c2)c(C)nn1C ZINC000134159991 366293364 /nfs/dbraw/zinc/29/33/64/366293364.db2.gz ABADIBSZRUNIGN-UHFFFAOYSA-N 1 0 295.333 2.348 10 0 CEAERO C[C@@H](CN1C(=O)c2ccccc2C1=O)[C@@H]1CCCC[NH2+]1 ZINC000575524824 366293480 /nfs/dbraw/zinc/29/34/80/366293480.db2.gz FVVKCKKLEJTFCM-FZMZJTMJSA-N 1 0 272.348 2.061 10 0 CEAERO C[NH2+][C@H]1COC[C@H]1c1sccc1Br ZINC000575530694 366293487 /nfs/dbraw/zinc/29/34/87/366293487.db2.gz KMLVKLYSVBACGB-SVRRBLITSA-N 1 0 262.172 2.212 10 0 CEAERO O[C@@H](c1ccsc1Br)[C@H]1C=CC[NH2+]1 ZINC000575544431 366294970 /nfs/dbraw/zinc/29/49/70/366294970.db2.gz VPWBHYQUAIBMBV-SFYZADRCSA-N 1 0 260.156 2.072 10 0 CEAERO C[C@H]1OCC[C@]1([NH3+])c1cscc1Br ZINC000575560938 366296251 /nfs/dbraw/zinc/29/62/51/366296251.db2.gz LYZKWNIZYMSDFR-HZGVNTEJSA-N 1 0 262.172 2.473 10 0 CEAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cccc(F)n1 ZINC000134300456 366306792 /nfs/dbraw/zinc/30/67/92/366306792.db2.gz YCGAXNWSRJABOH-JTQLQIEISA-N 1 0 268.336 2.073 10 0 CEAERO C[C@H]1C[C@H]1NC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000075977951 363503622 /nfs/dbraw/zinc/50/36/22/363503622.db2.gz DHLVXPAQOYGKED-DZGCQCFKSA-N 1 0 275.396 2.216 10 0 CEAERO C[C@@H]1C[C@@H]1NC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000075977948 363503947 /nfs/dbraw/zinc/50/39/47/363503947.db2.gz DHLVXPAQOYGKED-HIFRSBDPSA-N 1 0 275.396 2.216 10 0 CEAERO C[C@H]1C[C@H]1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000076056873 363512749 /nfs/dbraw/zinc/51/27/49/363512749.db2.gz VEBKXOJQGZNHAE-XJKSGUPXSA-N 1 0 287.407 2.490 10 0 CEAERO C[C@@H]1CCC[C@H](NC(=O)CN2[C@H](C)COC[C@@H]2C)[C@@H]1C ZINC000077368324 363545515 /nfs/dbraw/zinc/54/55/15/363545515.db2.gz KYAXSTWYCIRHDN-QMIVOQANSA-N 1 0 282.428 2.037 10 0 CEAERO CCc1cc(C[NH3+])cc(I)c1OC ZINC000575726870 366350332 /nfs/dbraw/zinc/35/03/32/366350332.db2.gz YWAJAWOVKPXBSG-UHFFFAOYSA-N 1 0 291.132 2.321 10 0 CEAERO C[NH+](C)[C@H]1CCN(c2nc3ccc(N)cc3s2)C1 ZINC000063104730 538762871 /nfs/dbraw/zinc/76/28/71/538762871.db2.gz DMPWOCLZSODJHJ-JTQLQIEISA-N 1 0 262.382 2.019 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000225366707 538794893 /nfs/dbraw/zinc/79/48/93/538794893.db2.gz PMKYKLLRILCRPZ-OPRDCNLKSA-N 1 0 266.307 2.161 10 0 CEAERO O=C1NCCC[C@H]1[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000087816432 538807476 /nfs/dbraw/zinc/80/74/76/538807476.db2.gz ZXBNUAPUFBWHOT-LSDHHAIUSA-N 1 0 283.375 2.414 10 0 CEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](C)C(C)C ZINC000079122290 363580678 /nfs/dbraw/zinc/58/06/78/363580678.db2.gz DIQSQADQQLYHRL-STQMWFEESA-N 1 0 257.422 2.306 10 0 CEAERO C[C@@H](CNC(=O)N1CCS[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000171429279 295953654 /nfs/dbraw/zinc/95/36/54/295953654.db2.gz JYSSPRVJQZRMOA-KBPBESRZSA-N 1 0 299.484 2.255 10 0 CEAERO CC[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccsc1 ZINC000294420583 199032634 /nfs/dbraw/zinc/03/26/34/199032634.db2.gz OICAFRYQSGFHMW-OLZOCXBDSA-N 1 0 254.399 2.119 10 0 CEAERO Cc1sc([C@H](O)[C@@H](C)C[NH3+])cc1Br ZINC000227991220 540341508 /nfs/dbraw/zinc/34/15/08/540341508.db2.gz UROHYYQKQCMEEI-SSDLBLMSSA-N 1 0 264.188 2.447 10 0 CEAERO C[C@]1(C(=O)N2CCC3(C2)CCCCC3)CCC[NH2+]1 ZINC000310755720 540350053 /nfs/dbraw/zinc/35/00/53/540350053.db2.gz NHOIWJBWTAVKMH-CQSZACIVSA-N 1 0 250.386 2.311 10 0 CEAERO Cc1cc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)nn1C ZINC000414427873 236360471 /nfs/dbraw/zinc/36/04/71/236360471.db2.gz AFJOACPEZBSGPS-CLLJXQQHSA-N 1 0 251.374 2.022 10 0 CEAERO C[C@]1(C(=O)Nc2cnc3ccccc3c2)CCC[NH2+]1 ZINC000079514153 363611215 /nfs/dbraw/zinc/61/12/15/363611215.db2.gz RZECNMWVOGIZPQ-OAHLLOKOSA-N 1 0 255.321 2.315 10 0 CEAERO C[C@H]1Cc2ccccc2[C@H]1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261857068 291172822 /nfs/dbraw/zinc/17/28/22/291172822.db2.gz WNAZLRDYKZVURN-ZCDTZLGTSA-N 1 0 272.392 2.411 10 0 CEAERO CC[C@H](COC)[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000079707085 363622481 /nfs/dbraw/zinc/62/24/81/363622481.db2.gz RASSDOPVLBFRLH-CABCVRRESA-N 1 0 250.386 2.304 10 0 CEAERO Cc1nc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@@H]2C)c(C)s1 ZINC000393029234 540436819 /nfs/dbraw/zinc/43/68/19/540436819.db2.gz JCQCGTXRGUSIRI-VHSKPIJISA-N 1 0 267.398 2.078 10 0 CEAERO Brc1cncc([C@]23CC[C@@H]2CC[NH2+]3)c1 ZINC000685946947 540638832 /nfs/dbraw/zinc/63/88/32/540638832.db2.gz HFABCGYLTQDXFJ-KCJUWKMLSA-N 1 0 253.143 2.443 10 0 CEAERO [NH3+]C[C@@H]1CCCN1Cc1ncc(C(F)(F)F)s1 ZINC000262022122 283474537 /nfs/dbraw/zinc/47/45/37/283474537.db2.gz WHIRVXSMRGQMOF-ZETCQYMHSA-N 1 0 265.304 2.085 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1cccc2c1CCC2 ZINC000157595857 283478709 /nfs/dbraw/zinc/47/87/09/283478709.db2.gz RFGLEBNXSOLROM-WFASDCNBSA-N 1 0 258.365 2.033 10 0 CEAERO O=C1CC[NH2+]C[C@@H]1Cc1ccccc1Br ZINC000140067753 366558709 /nfs/dbraw/zinc/55/87/09/366558709.db2.gz MGFFSFWUXPIQKL-JTQLQIEISA-N 1 0 268.154 2.170 10 0 CEAERO O[C@H](Cc1ccccc1)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000140473011 366559490 /nfs/dbraw/zinc/55/94/90/366559490.db2.gz XXUSZNAOBTYGEE-KZNAEPCWSA-N 1 0 289.419 2.217 10 0 CEAERO CC[N@H+](C)[C@@H]1CCN(c2ccc(Br)cn2)C1 ZINC000141764062 366566041 /nfs/dbraw/zinc/56/60/41/366566041.db2.gz GQGKPHSGSHQYAC-LLVKDONJSA-N 1 0 284.201 2.375 10 0 CEAERO Cc1cc(C)c(CN2CCN(C)CC2)c(C)c1C=O ZINC000144218260 366571024 /nfs/dbraw/zinc/57/10/24/366571024.db2.gz CIOXOLWFONAKKD-UHFFFAOYSA-N 1 0 260.381 2.172 10 0 CEAERO CC(C)[C@@](C)([NH2+]Cc1ccc2ccccc2n1)C(N)=O ZINC000297624148 200245289 /nfs/dbraw/zinc/24/52/89/200245289.db2.gz LMUVNMNIOFNJLB-MRXNPFEDSA-N 1 0 271.364 2.224 10 0 CEAERO C[C@H]1OCC[C@@]1(O)C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000300423706 291220963 /nfs/dbraw/zinc/22/09/63/291220963.db2.gz JSTHAGAZQJFZKI-GUIRCDHDSA-N 1 0 255.402 2.331 10 0 CEAERO C[C@H](c1ccccn1)[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000177136842 189031309 /nfs/dbraw/zinc/03/13/09/189031309.db2.gz KYDKIOVFGVMZSP-OAHLLOKOSA-N 1 0 299.422 2.084 10 0 CEAERO Cc1ccc(C[N@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000177257418 189039704 /nfs/dbraw/zinc/03/97/04/189039704.db2.gz QSDVWPOONQCNSA-DOTOQJQBSA-N 1 0 274.408 2.148 10 0 CEAERO C[C@H](C[NH2+][C@H]1CCC(=O)N[C@H]1C)C1CCCCC1 ZINC000339160462 366682185 /nfs/dbraw/zinc/68/21/85/366682185.db2.gz LYARNALTHFYIQJ-DYEKYZERSA-N 1 0 252.402 2.460 10 0 CEAERO C[C@H](NC[C@H](O)C[NH+]1CCCCC1)c1ccsc1 ZINC000178519714 189123297 /nfs/dbraw/zinc/12/32/97/189123297.db2.gz WELLKGATXMBSOM-JSGCOSHPSA-N 1 0 268.426 2.246 10 0 CEAERO CCO[C@@H]1C[C@@H]1C(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000178876263 189151855 /nfs/dbraw/zinc/15/18/55/189151855.db2.gz CLPAENPQKFTQAX-HRCADAONSA-N 1 0 290.407 2.351 10 0 CEAERO CCC[C@@H](C(=O)NCCOc1ccc(C)cc1)[NH+](C)C ZINC000179142486 189172381 /nfs/dbraw/zinc/17/23/81/189172381.db2.gz WUWQROYZTDEXEN-HNNXBMFYSA-N 1 0 278.396 2.220 10 0 CEAERO CCC[C@@H](C(=O)N[C@H]1CCOc2ccccc21)[NH+](C)C ZINC000179334084 189186735 /nfs/dbraw/zinc/18/67/35/189186735.db2.gz JOQUTFPJNAHLIN-KBPBESRZSA-N 1 0 276.380 2.357 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cnn2ccccc12 ZINC000179686631 189213694 /nfs/dbraw/zinc/21/36/94/189213694.db2.gz BDVAEXCEEPGHMJ-DZGCQCFKSA-N 1 0 270.380 2.003 10 0 CEAERO Cc1cc(F)ccc1C[N@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000180231144 189244910 /nfs/dbraw/zinc/24/49/10/189244910.db2.gz GIBUDWHDYJLRCR-RHSMWYFYSA-N 1 0 292.398 2.287 10 0 CEAERO Cc1ccc(C[N@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)s1 ZINC000180227461 189245143 /nfs/dbraw/zinc/24/51/43/189245143.db2.gz GVNTWCOVZWAKGH-SWLSCSKDSA-N 1 0 280.437 2.209 10 0 CEAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)C(C)(C)c1ccccc1 ZINC000180487623 189258215 /nfs/dbraw/zinc/25/82/15/189258215.db2.gz SMTMGEAGCCLNJF-ZBFHGGJFSA-N 1 0 276.424 2.273 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](C)c1c(F)cccc1OC ZINC000236980597 370671490 /nfs/dbraw/zinc/67/14/90/370671490.db2.gz AYACSDOYWQOOGX-GXSJLCMTSA-N 1 0 268.332 2.139 10 0 CEAERO Cc1ccc(C[C@@H]([NH2+]C[C@H]2CN(C)CCO2)C2CC2)cc1 ZINC000180501147 189259406 /nfs/dbraw/zinc/25/94/06/189259406.db2.gz KAHKWSALCLJIAY-ZWKOTPCHSA-N 1 0 288.435 2.236 10 0 CEAERO C[C@@H]([NH2+]CC(=O)N(C)C1CC1)c1cccc(-n2ccnc2)c1 ZINC000180649585 189268334 /nfs/dbraw/zinc/26/83/34/189268334.db2.gz NAHOSVAIMNLNGT-CYBMUJFWSA-N 1 0 298.390 2.144 10 0 CEAERO Oc1ccc2c(c1)O[C@H](C[NH2+]Cc1ccncc1)CC2 ZINC000003828399 361290630 /nfs/dbraw/zinc/29/06/30/361290630.db2.gz CMPVSRKCPJUIRW-HNNXBMFYSA-N 1 0 270.332 2.271 10 0 CEAERO O[C@H](C[N@@H+]1CC[C@H](Oc2cccnc2)C1)c1ccccc1 ZINC000152428858 366695293 /nfs/dbraw/zinc/69/52/93/366695293.db2.gz VAPGOEWHBWXNDT-DLBZAZTESA-N 1 0 284.359 2.268 10 0 CEAERO C[C@@H](Cc1ccccc1)C[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000182038893 189312533 /nfs/dbraw/zinc/31/25/33/189312533.db2.gz PUUBBSNAEFBJLI-WMZOPIPTSA-N 1 0 299.418 2.463 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccnc(C)c1 ZINC000182134167 189314912 /nfs/dbraw/zinc/31/49/12/189314912.db2.gz BSPRTPQVRLIWMQ-HUUCEWRRSA-N 1 0 288.395 2.481 10 0 CEAERO C[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000237122226 370691323 /nfs/dbraw/zinc/69/13/23/370691323.db2.gz XZBKYMIYTXCPLP-CHWSQXEVSA-N 1 0 294.345 2.279 10 0 CEAERO CCc1oc(C(=O)N2CCCC[C@H]2C[NH3+])cc1C ZINC000237075566 370687396 /nfs/dbraw/zinc/68/73/96/370687396.db2.gz DQMAFXDCHAEYSC-NSHDSACASA-N 1 0 250.342 2.104 10 0 CEAERO COCCC[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000083799045 363787434 /nfs/dbraw/zinc/78/74/34/363787434.db2.gz ZALRVYWDTDUFKU-CYBMUJFWSA-N 1 0 286.416 2.260 10 0 CEAERO CC(C)[C@@H](C)[NH2+][C@@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000012672260 361396367 /nfs/dbraw/zinc/39/63/67/361396367.db2.gz ROBUVDYMFNYAOF-NEPJUHHUSA-N 1 0 277.368 2.357 10 0 CEAERO CCN1CC[N@@H+]([C@H](C)Cc2ccccc2F)CCC1=O ZINC000019222385 361522848 /nfs/dbraw/zinc/52/28/48/361522848.db2.gz FAXNJEKQDRBBKQ-CYBMUJFWSA-N 1 0 278.371 2.311 10 0 CEAERO COc1ccc(CC(=O)Nc2ccc(C[NH3+])cc2)cc1 ZINC000019407223 361532590 /nfs/dbraw/zinc/53/25/90/361532590.db2.gz DORDMVDZYZQPGP-UHFFFAOYSA-N 1 0 270.332 2.335 10 0 CEAERO Cc1cccc(C[N@H+]2CCc3nnc(C(C)C)n3CC2)n1 ZINC000023398112 361599252 /nfs/dbraw/zinc/59/92/52/361599252.db2.gz QPSVYEFJROQAIT-UHFFFAOYSA-N 1 0 285.395 2.163 10 0 CEAERO CCc1nsc(N2C[C@@H]3CCC[N@H+]3C[C@H]2CC)n1 ZINC000301950448 201273722 /nfs/dbraw/zinc/27/37/22/201273722.db2.gz GQSXYKWHASHQTP-MNOVXSKESA-N 1 0 266.414 2.164 10 0 CEAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(Br)o1 ZINC000084229554 363803463 /nfs/dbraw/zinc/80/34/63/363803463.db2.gz HGUAJJJEPUYYTA-WPRPVWTQSA-N 1 0 274.158 2.293 10 0 CEAERO C[C@@H](CCC[NH3+])Nc1ncccc1Br ZINC000087362181 363849503 /nfs/dbraw/zinc/84/95/03/363849503.db2.gz RAKWYFXTEAZUSK-QMMMGPOBSA-N 1 0 258.163 2.383 10 0 CEAERO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000087955055 363873661 /nfs/dbraw/zinc/87/36/61/363873661.db2.gz CUDZOFIZBJJJNX-NWDGAFQWSA-N 1 0 291.395 2.134 10 0 CEAERO c1ccc(SCC[N@@H+]2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000089710287 363994332 /nfs/dbraw/zinc/99/43/32/363994332.db2.gz HMTXZJHYFKXZAS-OAHLLOKOSA-N 1 0 292.448 2.185 10 0 CEAERO C[C@H]1CN(C(=O)c2cc3ccccc3[nH]2)C[C@@H]1[NH+](C)C ZINC000089710187 363994992 /nfs/dbraw/zinc/99/49/92/363994992.db2.gz WZAWNBKJPCPXQP-NHYWBVRUSA-N 1 0 271.364 2.190 10 0 CEAERO C[C@@H]1CN(C(=O)c2cccc3cc[nH]c32)C[C@H]1[NH+](C)C ZINC000089710326 363995171 /nfs/dbraw/zinc/99/51/71/363995171.db2.gz YXINFHKXGAJIIM-BXUZGUMPSA-N 1 0 271.364 2.190 10 0 CEAERO Cc1noc([C@@H]2CC[C@H](C[NH2+][C@H](C)C3CCC3)O2)n1 ZINC000329996083 202574777 /nfs/dbraw/zinc/57/47/77/202574777.db2.gz OGRHCOJMFYQPRG-WQAKAFBOSA-N 1 0 265.357 2.376 10 0 CEAERO COC(=O)c1ccc(C)c(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089451866 363968486 /nfs/dbraw/zinc/96/84/86/363968486.db2.gz KOHRNCVOFYUYIV-OLZOCXBDSA-N 1 0 290.363 2.095 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(C)c(O)c1 ZINC000092632798 364092334 /nfs/dbraw/zinc/09/23/34/364092334.db2.gz ZLMYVIBKTMNVGA-CQSZACIVSA-N 1 0 276.380 2.257 10 0 CEAERO Cc1nc(C[C@@H]2CCC[N@H+](Cc3ccco3)C2)no1 ZINC000092814145 364110684 /nfs/dbraw/zinc/11/06/84/364110684.db2.gz ZXFYTGRVJZICNZ-LBPRGKRZSA-N 1 0 261.325 2.426 10 0 CEAERO CCn1cc(C[NH+]2CCC(c3cnn(CC)c3)CC2)cn1 ZINC000092809168 364110886 /nfs/dbraw/zinc/11/08/86/364110886.db2.gz ACXKJEOXNUCNRW-UHFFFAOYSA-N 1 0 287.411 2.499 10 0 CEAERO CCc1nn(C)c(CC)c1CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000093437755 364180826 /nfs/dbraw/zinc/18/08/26/364180826.db2.gz RAZUCJSRPRSIEY-UONOGXRCSA-N 1 0 290.455 2.213 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CCCC2(CC2)CC1 ZINC000638756971 370727966 /nfs/dbraw/zinc/72/79/66/370727966.db2.gz SCEGKOYISIWAFK-OLZOCXBDSA-N 1 0 250.386 2.167 10 0 CEAERO Cc1nc(C(C)(C)NC(=O)[C@H]2CC[C@@H]([NH3+])C2)sc1C ZINC000237598891 370735687 /nfs/dbraw/zinc/73/56/87/370735687.db2.gz CDQTVTBJMVAQKW-WDEREUQCSA-N 1 0 281.425 2.239 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCC2(c3ccc(F)cc3)CC2)C1 ZINC000237938687 370761118 /nfs/dbraw/zinc/76/11/18/370761118.db2.gz DAIOKEJDEAPNPZ-BXUZGUMPSA-N 1 0 276.355 2.101 10 0 CEAERO Cc1c(C[NH2+][C@H]2CCN(Cc3ccccc3)C2)cnn1C ZINC000093649677 364208591 /nfs/dbraw/zinc/20/85/91/364208591.db2.gz XPFLOXADFQJAEP-KRWDZBQOSA-N 1 0 284.407 2.093 10 0 CEAERO Cc1c(C[NH2+]C[C@@H](c2ccccc2)N(C)C)cnn1C ZINC000093649247 364209192 /nfs/dbraw/zinc/20/91/92/364209192.db2.gz VCJPMLZGDGWUAZ-INIZCTEOSA-N 1 0 272.396 2.121 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)NC[C@H]1CCCC12CC2 ZINC000638795846 370757483 /nfs/dbraw/zinc/75/74/83/370757483.db2.gz QVTVZJTVQZYKMH-CHWSQXEVSA-N 1 0 250.386 2.073 10 0 CEAERO COc1cc(NC2CCC([NH3+])CC2)cc(OC)c1 ZINC000094074215 364250885 /nfs/dbraw/zinc/25/08/85/364250885.db2.gz RONLAIKUINNSGA-UHFFFAOYSA-N 1 0 250.342 2.386 10 0 CEAERO Clc1cccc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1 ZINC000094442659 364275429 /nfs/dbraw/zinc/27/54/29/364275429.db2.gz KDGBIKGQWAKQQI-LLVKDONJSA-N 1 0 251.761 2.410 10 0 CEAERO O=[S@@](C[C@H]1CC[NH2+]C1)c1nc2ccccc2nc1Cl ZINC000095069785 364329902 /nfs/dbraw/zinc/32/99/02/364329902.db2.gz NTQOQBGTCPXFMI-ZRNGKTOUSA-N 1 0 295.795 2.000 10 0 CEAERO CN(C[C@H]1CCC[NH2+]1)c1nc2ccccc2nc1Cl ZINC000095070975 364330914 /nfs/dbraw/zinc/33/09/14/364330914.db2.gz DXISCUNGOAWXQN-SNVBAGLBSA-N 1 0 276.771 2.471 10 0 CEAERO CN(c1nc2ccccc2nc1NC1CC1)[C@@H]1CC[NH2+]C1 ZINC000095070548 364331245 /nfs/dbraw/zinc/33/12/45/364331245.db2.gz WRRWVBKKZHGQOX-GFCCVEGCSA-N 1 0 283.379 2.002 10 0 CEAERO C[NH2+]C1CCN(c2nc3ccccc3nc2NC2CC2)CC1 ZINC000095071543 364332404 /nfs/dbraw/zinc/33/24/04/364332404.db2.gz VUEREQXFPBADDG-UHFFFAOYSA-N 1 0 297.406 2.392 10 0 CEAERO Brc1cccc(S[C@@H]2CC[NH2+]C2)n1 ZINC000095092410 364338801 /nfs/dbraw/zinc/33/88/01/364338801.db2.gz HYHDHQZNMRGGFK-SSDOTTSWSA-N 1 0 259.172 2.298 10 0 CEAERO Brc1cccc(NC[C@H]2CCCC[NH2+]2)n1 ZINC000095092348 364339057 /nfs/dbraw/zinc/33/90/57/364339057.db2.gz LYBDGNKNDVXPGN-SECBINFHSA-N 1 0 270.174 2.398 10 0 CEAERO Brc1cncc(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000335654503 212371982 /nfs/dbraw/zinc/37/19/82/212371982.db2.gz NINGQJGQBDJTPB-FUNVUKJBSA-N 1 0 296.212 2.217 10 0 CEAERO Cc1c(F)cccc1C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000335197896 364610832 /nfs/dbraw/zinc/61/08/32/364610832.db2.gz REYWWVQANRSSAD-LBPRGKRZSA-N 1 0 264.344 2.348 10 0 CEAERO c1nc2n(n1)C[C@@H]([NH2+][C@H]1CCCc3ccccc31)CC2 ZINC000105872134 364702590 /nfs/dbraw/zinc/70/25/90/364702590.db2.gz QVRKGODLADXGBG-ZFWWWQNUSA-N 1 0 268.364 2.260 10 0 CEAERO [NH3+]C[C@H]1CCCN1C(=O)c1ccc2ccccc2c1O ZINC000111366094 364730693 /nfs/dbraw/zinc/73/06/93/364730693.db2.gz UVMWBHFYBCSROA-GFCCVEGCSA-N 1 0 270.332 2.109 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCc2sccc2C1 ZINC000335537262 364800213 /nfs/dbraw/zinc/80/02/13/364800213.db2.gz YJNWLQIDJCGYKI-JQWIXIFHSA-N 1 0 264.394 2.021 10 0 CEAERO CSc1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)o1 ZINC000113231211 364878258 /nfs/dbraw/zinc/87/82/58/364878258.db2.gz BRDVGCCXTVGUPX-WDEREUQCSA-N 1 0 280.393 2.310 10 0 CEAERO CC(C)CCc1noc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1 ZINC000113268960 364882443 /nfs/dbraw/zinc/88/24/43/364882443.db2.gz SSUWNNHOGYNGEI-UONOGXRCSA-N 1 0 292.427 2.327 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1CC=CCC1 ZINC000113605143 364906499 /nfs/dbraw/zinc/90/64/99/364906499.db2.gz GHLNWMMTRLHTEV-QLFBSQMISA-N 1 0 277.412 2.221 10 0 CEAERO CC[C@H]1CN(C(=O)CC2CCCC2)CC[N@@H+]1CCOC ZINC000117299885 365101581 /nfs/dbraw/zinc/10/15/81/365101581.db2.gz XSOYDPYDIDEASP-HNNXBMFYSA-N 1 0 282.428 2.136 10 0 CEAERO C[C@@H](C[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC000116876871 365076820 /nfs/dbraw/zinc/07/68/20/365076820.db2.gz YWJDLJIPOQMDFB-DZGCQCFKSA-N 1 0 260.381 2.343 10 0 CEAERO CCc1ccc(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000118791085 365178668 /nfs/dbraw/zinc/17/86/68/365178668.db2.gz UXAOSVGRGWKVRL-OAHLLOKOSA-N 1 0 291.395 2.043 10 0 CEAERO CCOCCN1CC[N@H+](CCSCC)C[C@@H]1CC ZINC000119174830 365228391 /nfs/dbraw/zinc/22/83/91/365228391.db2.gz QEOVPAFTHFJQMZ-AWEZNQCLSA-N 1 0 274.474 2.172 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)[C@@H](C)c2cccnc2)[C@@H](C)C1 ZINC000159099120 366877282 /nfs/dbraw/zinc/87/72/82/366877282.db2.gz QMHUBWIDGIUBJY-YDHLFZDLSA-N 1 0 275.396 2.030 10 0 CEAERO CCC1(C[N@@H+]2CCC[C@@](C)(O)CC2)CCOCC1 ZINC000336072055 365369232 /nfs/dbraw/zinc/36/92/32/365369232.db2.gz AROPACVMRYNODY-CQSZACIVSA-N 1 0 255.402 2.430 10 0 CEAERO CC[C@@H](C)C[NH+]1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000120499528 365432021 /nfs/dbraw/zinc/43/20/21/365432021.db2.gz CFOMRZRUPUEBFN-VXGBXAGGSA-N 1 0 266.389 2.103 10 0 CEAERO COC1(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)CCC1 ZINC000336190624 365523430 /nfs/dbraw/zinc/52/34/30/365523430.db2.gz IVYXGMIATULFAL-ZFWWWQNUSA-N 1 0 253.386 2.183 10 0 CEAERO CCO[C@@H]1C[C@H]([N@H+](C)C[C@H](O)COC(C)(C)C)C12CCC2 ZINC000120820686 365479804 /nfs/dbraw/zinc/47/98/04/365479804.db2.gz CWSTUVGIUMNCCW-SOUVJXGZSA-N 1 0 299.455 2.442 10 0 CEAERO CC(C)OCCC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000120987702 365507463 /nfs/dbraw/zinc/50/74/63/365507463.db2.gz KXXZCJSQAFTCIC-HNNXBMFYSA-N 1 0 278.396 2.221 10 0 CEAERO CCC[C@@H](C(=O)NCCCCNc1ccccn1)[NH+](C)C ZINC000162019220 367131144 /nfs/dbraw/zinc/13/11/44/367131144.db2.gz ADVXSTGHNGCJOZ-AWEZNQCLSA-N 1 0 292.427 2.120 10 0 CEAERO CCC[C@H](C(=O)NC[C@@H](C)Oc1ccccc1)[NH+](C)C ZINC000162143484 367141057 /nfs/dbraw/zinc/14/10/57/367141057.db2.gz LCKZVNSUFHVEBX-UKRRQHHQSA-N 1 0 278.396 2.300 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1COc2ccccc21 ZINC000245427806 370818373 /nfs/dbraw/zinc/81/83/73/370818373.db2.gz IBDYPMUJHKJLQJ-HIFRSBDPSA-N 1 0 288.391 2.105 10 0 CEAERO C[C@H](c1nc2ccccc2o1)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000245542993 370836143 /nfs/dbraw/zinc/83/61/43/370836143.db2.gz KOBJSHBKAUKSMY-OLZOCXBDSA-N 1 0 289.379 2.151 10 0 CEAERO C[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2)C[C@@H]1C[NH3+] ZINC000638883728 370818487 /nfs/dbraw/zinc/81/84/87/370818487.db2.gz ALFYNCOYSQBLHR-MNOVXSKESA-N 1 0 298.839 2.485 10 0 CEAERO Cc1ccc(C)c(SCC(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000638885582 370819309 /nfs/dbraw/zinc/81/93/09/370819309.db2.gz OLEFCKNNGTYAKB-KBPBESRZSA-N 1 0 292.448 2.449 10 0 CEAERO C[C@@H]1CN(C(=O)CCC2CCCCC2)C[C@H]1C[NH3+] ZINC000638884688 370819456 /nfs/dbraw/zinc/81/94/56/370819456.db2.gz IJINVEXTMYXILV-TZMCWYRMSA-N 1 0 252.402 2.400 10 0 CEAERO C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC000638887173 370822299 /nfs/dbraw/zinc/82/22/99/370822299.db2.gz UQFKOQXLINIROL-MWLCHTKSSA-N 1 0 286.297 2.372 10 0 CEAERO C[C@@H]1CN(C(=O)c2ccc(Cl)cc2F)C[C@@H]1C[NH3+] ZINC000638889865 370823000 /nfs/dbraw/zinc/82/30/00/370823000.db2.gz RDOFUQXRLLHRSA-BDAKNGLRSA-N 1 0 270.735 2.146 10 0 CEAERO Cc1cc(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)cc(C)c1F ZINC000638894161 370826374 /nfs/dbraw/zinc/82/63/74/370826374.db2.gz POBXEHRHDKFVRK-WCQYABFASA-N 1 0 264.344 2.109 10 0 CEAERO COC[C@@H]([NH2+]Cc1cnn(C)c1C)c1ccccc1 ZINC000162451080 367161957 /nfs/dbraw/zinc/16/19/57/367161957.db2.gz NZLMOADZBDZLAF-OAHLLOKOSA-N 1 0 259.353 2.206 10 0 CEAERO Cc1csc(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)c1Cl ZINC000638898354 370828030 /nfs/dbraw/zinc/82/80/30/370828030.db2.gz KYSRJMWDMOCTOB-APPZFPTMSA-N 1 0 272.801 2.377 10 0 CEAERO Cc1cc(CN2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)ccc1F ZINC000245686991 370856729 /nfs/dbraw/zinc/85/67/29/370856729.db2.gz ASXGDORNJZCOFX-KBPBESRZSA-N 1 0 280.387 2.021 10 0 CEAERO C[NH2+]CCNc1ncc(Cl)cc1Br ZINC000162815603 367194172 /nfs/dbraw/zinc/19/41/72/367194172.db2.gz JDRSJJHELOYNPE-UHFFFAOYSA-N 1 0 264.554 2.129 10 0 CEAERO CC(=O)N[C@@H]1CCC[N@@H+](C[C@H]2CCC[C@@H](C)C2)C1 ZINC000245591095 370844404 /nfs/dbraw/zinc/84/44/04/370844404.db2.gz GVYYRMALNQDZTD-VHDGCEQUSA-N 1 0 252.402 2.413 10 0 CEAERO Cc1cc(C(C)C)nc(N2CC[C@@H](C)[C@H](C[NH3+])C2)n1 ZINC000164019813 367275103 /nfs/dbraw/zinc/27/51/03/367275103.db2.gz DXDUMHGNXKSEAK-DGCLKSJQSA-N 1 0 262.401 2.330 10 0 CEAERO C/C=C\C(=O)N1CC[C@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000616568647 367231936 /nfs/dbraw/zinc/23/19/36/367231936.db2.gz CFCNXKYECYLHRK-DTSKHDKYSA-N 1 0 262.328 2.045 10 0 CEAERO CCCC(=O)N[C@H]1CCCN(Cc2cscn2)C1 ZINC000170652030 367390916 /nfs/dbraw/zinc/39/09/16/367390916.db2.gz ISSQAJJKKCYFPQ-NSHDSACASA-N 1 0 267.398 2.024 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@H](C)c2ccc(Cl)cn2)C1 ZINC000681395103 541545663 /nfs/dbraw/zinc/54/56/63/541545663.db2.gz NDHFRMHTVUFWGZ-YPMHNXCESA-N 1 0 283.803 2.106 10 0 CEAERO Cc1ccc2ncc(CN3C[C@H]4CCC[N@H+]4C[C@H]3C)n2c1 ZINC000245711093 370861845 /nfs/dbraw/zinc/86/18/45/370861845.db2.gz GBBPTGHFBDFNTO-HUUCEWRRSA-N 1 0 284.407 2.311 10 0 CEAERO CNC1=C[N+](=O)C(c2ccccc2)c2ccccc2N1 ZINC000169346454 367368659 /nfs/dbraw/zinc/36/86/59/367368659.db2.gz GTHYDUTXHKZCBI-UHFFFAOYSA-N 1 0 265.316 2.297 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc(F)c(F)c2F)C1 ZINC000171069172 367470196 /nfs/dbraw/zinc/47/01/96/367470196.db2.gz WYYSRSRRHMOBNJ-MRVPVSSYSA-N 1 0 287.285 2.272 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]CC[C@@H](O)C(F)F)c1C ZINC000631697411 367489539 /nfs/dbraw/zinc/48/95/39/367489539.db2.gz LXVGLYYIEKONSC-GZMMTYOYSA-N 1 0 275.343 2.187 10 0 CEAERO CCCc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000170855351 367430533 /nfs/dbraw/zinc/43/05/33/367430533.db2.gz MKQYKWLKBMSWKQ-OAHLLOKOSA-N 1 0 260.381 2.415 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000170861822 367434946 /nfs/dbraw/zinc/43/49/46/367434946.db2.gz MNDLFEPNZXCQMX-ZBFHGGJFSA-N 1 0 287.407 2.410 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)Cc2cccc(Cl)c2)C1 ZINC000170868569 367436632 /nfs/dbraw/zinc/43/66/32/367436632.db2.gz VTJRRSPISXIINR-ZDUSSCGKSA-N 1 0 266.772 2.045 10 0 CEAERO C[C@H](SCc1ccccc1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170865535 367436681 /nfs/dbraw/zinc/43/66/81/367436681.db2.gz AJCUFXMBARTXED-DZGCQCFKSA-N 1 0 292.448 2.471 10 0 CEAERO C[C@@H](CC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccccc1F ZINC000170868331 367436732 /nfs/dbraw/zinc/43/67/32/367436732.db2.gz CHBQYGHWKJDLNX-STQMWFEESA-N 1 0 278.371 2.482 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2cccc3[nH]ccc32)C1 ZINC000171391727 367533587 /nfs/dbraw/zinc/53/35/87/367533587.db2.gz LVZOVODJDVAYOM-LLVKDONJSA-N 1 0 272.352 2.336 10 0 CEAERO Cn1cc([C@@H]2CCC[N@@H+]2CCOC(C)(C)C)cn1 ZINC000171410534 367536918 /nfs/dbraw/zinc/53/69/18/367536918.db2.gz ZKTFBZVIQSSVNK-ZDUSSCGKSA-N 1 0 251.374 2.372 10 0 CEAERO Cc1cccc2[nH]cc(CC(=O)N3CC[C@H]([NH+](C)C)C3)c21 ZINC000171541706 367562293 /nfs/dbraw/zinc/56/22/93/367562293.db2.gz TXZKKJBGUMLDBU-AWEZNQCLSA-N 1 0 285.391 2.181 10 0 CEAERO C[C@@H]1CN(Cc2csc(-c3ccco3)n2)C[C@@H]1C[NH3+] ZINC000631840068 367580355 /nfs/dbraw/zinc/58/03/55/367580355.db2.gz PEVHTGUSNFQCLK-MNOVXSKESA-N 1 0 277.393 2.430 10 0 CEAERO C[C@@H]1CN(Cc2cccnc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC000631836623 367574847 /nfs/dbraw/zinc/57/48/47/367574847.db2.gz CSBZNTCMPDCUEM-KOLCDFICSA-N 1 0 273.302 2.127 10 0 CEAERO COc1ccc(NC(=O)CC[N@@H+]2CCS[C@@H](C)C2)cc1 ZINC000171688105 367592470 /nfs/dbraw/zinc/59/24/70/367592470.db2.gz SYKZWBQRVODMHC-LBPRGKRZSA-N 1 0 294.420 2.461 10 0 CEAERO COc1cccc(CN2CCC[C@H]2c2cnn(C)c2)n1 ZINC000171860128 367629385 /nfs/dbraw/zinc/62/93/85/367629385.db2.gz PDEYOPPWAWFMTD-AWEZNQCLSA-N 1 0 272.352 2.161 10 0 CEAERO CCOc1ccnc(N2CC[NH+]([C@H]3C=CCCC3)CC2)n1 ZINC000171746418 367609159 /nfs/dbraw/zinc/60/91/59/367609159.db2.gz KGYHONGRKWPISJ-AWEZNQCLSA-N 1 0 288.395 2.106 10 0 CEAERO C[N@H+](C[Si](C)(C)C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000171745948 367609357 /nfs/dbraw/zinc/60/93/57/367609357.db2.gz DMLKGSJNQXHDCE-CYBMUJFWSA-N 1 0 278.476 2.255 10 0 CEAERO Cn1cc([C@@H]2CC[N@H+](Cc3ccnc(Cl)c3)C2)cn1 ZINC000172051993 367665660 /nfs/dbraw/zinc/66/56/60/367665660.db2.gz MMMPCXIQKYTLTQ-GFCCVEGCSA-N 1 0 276.771 2.458 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(Cl)nc1 ZINC000172134700 367680809 /nfs/dbraw/zinc/68/08/09/367680809.db2.gz ZDXCGIJXOSLHOB-CMPLNLGQSA-N 1 0 294.786 2.435 10 0 CEAERO CN(c1cccnn1)C1CC[NH+](CCc2cccnc2)CC1 ZINC000172162089 367687658 /nfs/dbraw/zinc/68/76/58/367687658.db2.gz SVAXPNLINWOFSX-UHFFFAOYSA-N 1 0 297.406 2.015 10 0 CEAERO C[C@H](OCc1ccccc1)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638948162 370867610 /nfs/dbraw/zinc/86/76/10/370867610.db2.gz KJVQGEYRUIHTFL-DZKIICNBSA-N 1 0 290.407 2.225 10 0 CEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@H](C)C(C)C ZINC000172473627 367754420 /nfs/dbraw/zinc/75/44/20/367754420.db2.gz ZQNLYFROSUUDOI-OLZOCXBDSA-N 1 0 257.422 2.308 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCSC[C@H]1C ZINC000172549513 367774214 /nfs/dbraw/zinc/77/42/14/367774214.db2.gz XOVBDQLZAAYYEG-CHWSQXEVSA-N 1 0 287.473 2.110 10 0 CEAERO CCn1c(C)nnc1CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000172577302 367779368 /nfs/dbraw/zinc/77/93/68/367779368.db2.gz BRKJWSBCEBTWNP-OAHLLOKOSA-N 1 0 291.443 2.057 10 0 CEAERO CC[C@H]1C[N@H+](C[C@@H]2CC=CCC2)CCN1CCOC ZINC000245762991 370871949 /nfs/dbraw/zinc/87/19/49/370871949.db2.gz QBPXOUASWACXMR-CVEARBPZSA-N 1 0 266.429 2.385 10 0 CEAERO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)NCC2CC2)C12CCCC2 ZINC000172670687 367797444 /nfs/dbraw/zinc/79/74/44/367797444.db2.gz SIRDHSXFGCTZDN-LSDHHAIUSA-N 1 0 294.439 2.182 10 0 CEAERO CCc1ccc(CN2CC[N@H+](C[C@H](C)O)[C@H](CC)C2)o1 ZINC000245783941 370872655 /nfs/dbraw/zinc/87/26/55/370872655.db2.gz UWVDNLCLKBILAT-UONOGXRCSA-N 1 0 280.412 2.119 10 0 CEAERO CCOc1c(F)cccc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000173046111 367863557 /nfs/dbraw/zinc/86/35/57/367863557.db2.gz UIGWDHRLDXJGFQ-LLVKDONJSA-N 1 0 280.343 2.001 10 0 CEAERO CC[C@@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccncc1 ZINC000173499599 367916828 /nfs/dbraw/zinc/91/68/28/367916828.db2.gz PXNFDQYAYXJVKH-HUUCEWRRSA-N 1 0 288.395 2.022 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccnc1 ZINC000173331219 367897792 /nfs/dbraw/zinc/89/77/92/367897792.db2.gz RDGSIPKECNSSSJ-UONOGXRCSA-N 1 0 274.368 2.172 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](C)C(C)C ZINC000173329620 367897931 /nfs/dbraw/zinc/89/79/31/367897931.db2.gz ZYNMVJMXUQABHI-BFHYXJOUSA-N 1 0 267.417 2.299 10 0 CEAERO O=C(Cc1cc(F)ccc1F)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000173366214 367902598 /nfs/dbraw/zinc/90/25/98/367902598.db2.gz URZZZZKFZHRVRK-AWEZNQCLSA-N 1 0 294.345 2.204 10 0 CEAERO C[C@@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)Cc1cccs1 ZINC000173914047 367958380 /nfs/dbraw/zinc/95/83/80/367958380.db2.gz BNYPQDUHBTWCNI-OLZOCXBDSA-N 1 0 295.452 2.272 10 0 CEAERO COCCC[N@H+](C)CCNC(=O)N[C@H](C)c1cccs1 ZINC000174821969 368071480 /nfs/dbraw/zinc/07/14/80/368071480.db2.gz MRLPMYCOHKICBJ-GFCCVEGCSA-N 1 0 299.440 2.077 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Cl)nc1 ZINC000174988912 368086111 /nfs/dbraw/zinc/08/61/11/368086111.db2.gz MQHZDINPKHAAIK-QWHCGFSZSA-N 1 0 293.798 2.434 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccccc1 ZINC000175038026 368093019 /nfs/dbraw/zinc/09/30/19/368093019.db2.gz DKZDISXCSKQCAG-JKSUJKDBSA-N 1 0 287.407 2.184 10 0 CEAERO C[C@@H]1CC[C@@H](C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)O1 ZINC000245989787 370897513 /nfs/dbraw/zinc/89/75/13/370897513.db2.gz IFLHQTGQKBMXAG-FRRDWIJNSA-N 1 0 270.417 2.037 10 0 CEAERO CC[NH+](CC)CCN(Cc1nnnn1C(C)C)CC(C)C ZINC000177096711 368259521 /nfs/dbraw/zinc/25/95/21/368259521.db2.gz SJSHEKPPHMVAGJ-UHFFFAOYSA-N 1 0 296.463 2.054 10 0 CEAERO COc1ccc([C@H](C)CC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000176205403 368211658 /nfs/dbraw/zinc/21/16/58/368211658.db2.gz DIOVQKYEFQOTQY-HIFRSBDPSA-N 1 0 290.407 2.351 10 0 CEAERO CC[C@H](CSC)NC(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000181457969 368456901 /nfs/dbraw/zinc/45/69/01/368456901.db2.gz AJCPUBQKXDBVPF-CHWSQXEVSA-N 1 0 287.473 2.254 10 0 CEAERO CCCS(=O)(=O)CC[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000181639498 368476701 /nfs/dbraw/zinc/47/67/01/368476701.db2.gz 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1 0 278.400 2.020 10 0 CEAERO C[C@H]1C[N@H+](Cc2ccc(F)cc2F)C[C@H]1N1CCOCC1 ZINC000246401899 370955893 /nfs/dbraw/zinc/95/58/93/370955893.db2.gz LBNJSOMSUKOEON-BLLLJJGKSA-N 1 0 296.361 2.117 10 0 CEAERO C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C[C@H]1CN(C)CCO1 ZINC000246500178 370970036 /nfs/dbraw/zinc/97/00/36/370970036.db2.gz SNDMPEBMERZYJC-IIYDPXPESA-N 1 0 292.398 2.369 10 0 CEAERO CC(C)(C)OC[C@@H](O)CN1CCO[C@@H](c2cccs2)C1 ZINC000246600915 370984488 /nfs/dbraw/zinc/98/44/88/370984488.db2.gz BIDZTTOAYVRHTP-QWHCGFSZSA-N 1 0 299.436 2.297 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@]1(C)CCCS1 ZINC000246645312 370988788 /nfs/dbraw/zinc/98/87/88/370988788.db2.gz PCIXLOYEJHQJEK-UMVBOHGHSA-N 1 0 297.468 2.150 10 0 CEAERO Cc1nc(CC(C)C)oc1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000190312440 369612708 /nfs/dbraw/zinc/61/27/08/369612708.db2.gz GBBKTGNODDOKIX-CYBMUJFWSA-N 1 0 291.395 2.102 10 0 CEAERO CCC(C)(C)CNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000190568414 369636277 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[NH3+]C[C@H]1CCCN1Cc1cc(Cl)cc2c1OCC2 ZINC000228484119 370403498 /nfs/dbraw/zinc/40/34/98/370403498.db2.gz ZWVWGPBZXITXDN-CYBMUJFWSA-N 1 0 266.772 2.198 10 0 CEAERO COc1ccc(-c2ccnc(N3CCC[C@@H]([NH3+])C3)n2)cc1 ZINC000234998525 370553678 /nfs/dbraw/zinc/55/36/78/370553678.db2.gz REFFWVMCXWCUBT-CYBMUJFWSA-N 1 0 284.363 2.080 10 0 CEAERO C[C@@H]1CN(C(=O)c2ccc(Cl)cc2Cl)C[C@@H]1[NH3+] ZINC000235346579 370561865 /nfs/dbraw/zinc/56/18/65/370561865.db2.gz MIOPKINMBIOXST-HQJQHLMTSA-N 1 0 273.163 2.413 10 0 CEAERO C[C@@H]1CN(Cc2ncc(-c3ccccc3)o2)C[C@@H]1[NH3+] ZINC000235409092 370564802 /nfs/dbraw/zinc/56/48/02/370564802.db2.gz HLXOXGZPPKFGJH-YPMHNXCESA-N 1 0 257.337 2.121 10 0 CEAERO CC(C)[C@H]1C[NH2+]CCN1C(=O)[C@H](C)OCc1ccccc1 ZINC000638488972 370566662 /nfs/dbraw/zinc/56/66/62/370566662.db2.gz YLQNMKYRZWTRHU-GOEBONIOSA-N 1 0 290.407 2.048 10 0 CEAERO [NH3+]C[C@H](Nc1nccc(C(F)(F)F)n1)C1CCCC1 ZINC000236240305 370585237 /nfs/dbraw/zinc/58/52/37/370585237.db2.gz QXOAJKQFVLAWBW-VIFPVBQESA-N 1 0 274.290 2.425 10 0 CEAERO CCC(F)(F)C(C)(C)CNC(=O)[C@H]1CCC[NH2+]C1 ZINC000638597047 370627624 /nfs/dbraw/zinc/62/76/24/370627624.db2.gz AWJAYBVYHRQUHK-JTQLQIEISA-N 1 0 262.344 2.174 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCC[C@@H]1CC=CCC1 ZINC000638598559 370628066 /nfs/dbraw/zinc/62/80/66/370628066.db2.gz GMINUUMQGZQZPR-BFHYXJOUSA-N 1 0 250.386 2.237 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCC[C@@H]1CC=CCC1 ZINC000638598156 370628705 /nfs/dbraw/zinc/62/87/05/370628705.db2.gz DNPWYOVTSQNFFE-RDBSUJKOSA-N 1 0 250.386 2.224 10 0 CEAERO O=C(CC[C@H]1CCC[NH2+]1)NCC[C@@H]1CC=CCC1 ZINC000638602749 370630592 /nfs/dbraw/zinc/63/05/92/370630592.db2.gz YOBNPRACQPLIPU-ZIAGYGMSSA-N 1 0 250.386 2.381 10 0 CEAERO [NH3+][C@@H]1CC[C@H](C(=O)N(C[C@H]2CCCO2)C2CCCC2)C1 ZINC000246718107 371000238 /nfs/dbraw/zinc/00/02/38/371000238.db2.gz XKWKCBDSORYCCU-GZBFAFLISA-N 1 0 280.412 2.064 10 0 CEAERO O=C([C@@H]1C[C@]12CCc1ccccc12)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246726451 371000383 /nfs/dbraw/zinc/00/03/83/371000383.db2.gz MMIYZGMMDMFVOH-IEZWGBDMSA-N 1 0 296.414 2.197 10 0 CEAERO Cc1ccccc1NC(=O)CN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000246751802 371003857 /nfs/dbraw/zinc/00/38/57/371003857.db2.gz ADWHEWUBGUVEPO-HUUCEWRRSA-N 1 0 287.407 2.102 10 0 CEAERO C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000246838946 371018356 /nfs/dbraw/zinc/01/83/56/371018356.db2.gz DGAXPCHQFPJNOZ-XJKSGUPXSA-N 1 0 278.371 2.293 10 0 CEAERO CCO[C@@H]1C[C@@H]1C(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000246885027 371025183 /nfs/dbraw/zinc/02/51/83/371025183.db2.gz IXWLVOZRBZYUPE-UHOFOFEASA-N 1 0 299.374 2.475 10 0 CEAERO C[C@@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1cccs1 ZINC000246883385 371025932 /nfs/dbraw/zinc/02/59/32/371025932.db2.gz BDHUDQAVTOWREG-NEPJUHHUSA-N 1 0 264.394 2.158 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(C)nc1 ZINC000246904606 371028799 /nfs/dbraw/zinc/02/87/99/371028799.db2.gz HRSLPNKJBDZVHN-GJZGRUSLSA-N 1 0 273.380 2.089 10 0 CEAERO CC(C)[C@H](C)CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246975767 371040614 /nfs/dbraw/zinc/04/06/14/371040614.db2.gz QKOBUXUDDQOXLS-MCIONIFRSA-N 1 0 267.417 2.157 10 0 CEAERO COc1ccc(CC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000246996102 371043996 /nfs/dbraw/zinc/04/39/96/371043996.db2.gz GQYVRWHCIDXQIQ-XJKSGUPXSA-N 1 0 290.407 2.083 10 0 CEAERO CCOCC[N@@H+]1CCN(C(=O)N[C@H](C)C(C)C)C[C@@H]1CC ZINC000247010636 371045355 /nfs/dbraw/zinc/04/53/55/371045355.db2.gz HEHHZLOSQWTURP-CABCVRRESA-N 1 0 299.459 2.173 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cn2ccccc2n1 ZINC000247119092 371068310 /nfs/dbraw/zinc/06/83/10/371068310.db2.gz IYJCPEYXWJKYAA-HIFRSBDPSA-N 1 0 270.380 2.003 10 0 CEAERO Cc1nc2ccccc2nc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000247176111 371073723 /nfs/dbraw/zinc/07/37/23/371073723.db2.gz NHKWNVXXNUODJD-AWEZNQCLSA-N 1 0 282.391 2.218 10 0 CEAERO Cc1ccccc1CC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247181401 371073741 /nfs/dbraw/zinc/07/37/41/371073741.db2.gz KYXAQQKXOIXPRJ-ZBFHGGJFSA-N 1 0 272.392 2.233 10 0 CEAERO Cc1cccc(CC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000247244144 371082069 /nfs/dbraw/zinc/08/20/69/371082069.db2.gz NGDALTCOUHZHIW-GDBMZVCRSA-N 1 0 272.392 2.233 10 0 CEAERO CCc1ccc(CN2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cc1 ZINC000247263891 371084533 /nfs/dbraw/zinc/08/45/33/371084533.db2.gz YWJQHWSRKOQFOQ-LSDHHAIUSA-N 1 0 276.424 2.136 10 0 CEAERO CCc1ccc(CN2CC[N@H+](C[C@H](C)O)[C@H](C)C2)cc1 ZINC000247263870 371085669 /nfs/dbraw/zinc/08/56/69/371085669.db2.gz YWJQHWSRKOQFOQ-CABCVRRESA-N 1 0 276.424 2.136 10 0 CEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N(C)Cc2nccs2)C1 ZINC000247408021 371104744 /nfs/dbraw/zinc/10/47/44/371104744.db2.gz RMKNVTGGTAVQBK-NWDGAFQWSA-N 1 0 296.440 2.013 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccccc1 ZINC000247519008 371119782 /nfs/dbraw/zinc/11/97/82/371119782.db2.gz NETKXFFWUPSREI-HOTGVXAUSA-N 1 0 287.407 2.455 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCCOCC(F)(F)F ZINC000247533215 371121110 /nfs/dbraw/zinc/12/11/10/371121110.db2.gz XTIQTSBNEFWDES-NEPJUHHUSA-N 1 0 280.334 2.124 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccccc1N(C)C ZINC000247535452 371122348 /nfs/dbraw/zinc/12/23/48/371122348.db2.gz OPGAFLPOQOEYJH-HOCLYGCPSA-N 1 0 273.424 2.421 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc2c(c1)OCCO2 ZINC000247550496 371123969 /nfs/dbraw/zinc/12/39/69/371123969.db2.gz ZFWXEJATWJTJNN-ZFWWWQNUSA-N 1 0 288.391 2.126 10 0 CEAERO CC[C@@H]1CN(Cc2ccc(C)cc2)CC[N@@H+]1C[C@H](C)O ZINC000247543590 371124202 /nfs/dbraw/zinc/12/42/02/371124202.db2.gz DFTFMLSVZMXXBJ-DOTOQJQBSA-N 1 0 276.424 2.272 10 0 CEAERO C[NH2+][C@H](C)C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000054072918 541841119 /nfs/dbraw/zinc/84/11/19/541841119.db2.gz UEVBJEZPQMRBHJ-RKDXNWHRSA-N 1 0 285.185 2.234 10 0 CEAERO C[NH2+][C@H](C)C(=O)NC(C)(C)c1ccc(Br)cc1 ZINC000054072850 541841420 /nfs/dbraw/zinc/84/14/20/541841420.db2.gz DSYZXMFNRJBIGB-SECBINFHSA-N 1 0 299.212 2.408 10 0 CEAERO O[C@H](C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)c1ccc(F)cc1 ZINC000248202974 371170110 /nfs/dbraw/zinc/17/01/10/371170110.db2.gz ZHAJLSZUUJEVGX-OIISXLGYSA-N 1 0 293.382 2.486 10 0 CEAERO Cn1cc([C@@H]2CCC[N@@H+]2CCO[C@H]2CCCCO2)cn1 ZINC000248615733 371223057 /nfs/dbraw/zinc/22/30/57/371223057.db2.gz YXDQWHJJAGLRTN-GJZGRUSLSA-N 1 0 279.384 2.100 10 0 CEAERO c1cn(-c2ccccc2)c(CN2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000248883862 371262136 /nfs/dbraw/zinc/26/21/36/371262136.db2.gz QGLVNAKOSVWSMN-INIZCTEOSA-N 1 0 282.391 2.152 10 0 CEAERO CCc1ccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c(O)c1 ZINC000248723960 371238606 /nfs/dbraw/zinc/23/86/06/371238606.db2.gz UEKRHEIKYFQXJD-OCCSQVGLSA-N 1 0 288.391 2.263 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)C12CCOCC2 ZINC000248985598 371279351 /nfs/dbraw/zinc/27/93/51/371279351.db2.gz JUKVIKWGGKBJBV-SOUVJXGZSA-N 1 0 299.455 2.347 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2ccc(O)cc2)C1 ZINC000248881211 371262854 /nfs/dbraw/zinc/26/28/54/371262854.db2.gz OLDGWHNFPSVGBE-CZUORRHYSA-N 1 0 290.407 2.170 10 0 CEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccoc2Cl)C1 ZINC000249388166 371318434 /nfs/dbraw/zinc/31/84/34/371318434.db2.gz XHTZTQFTXVOZLB-GXSJLCMTSA-N 1 0 270.760 2.392 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@H]1CC(C)(C)CO1 ZINC000639542845 371394002 /nfs/dbraw/zinc/39/40/02/371394002.db2.gz PFNQQZHTJYDAQE-RBSFLKMASA-N 1 0 266.429 2.360 10 0 CEAERO CCN1CCC[C@H]([NH2+][C@H](C)c2ccc(F)cn2)C1 ZINC000250388644 371383347 /nfs/dbraw/zinc/38/33/47/371383347.db2.gz XVVIMHTVDNXDCY-YPMHNXCESA-N 1 0 251.349 2.356 10 0 CEAERO CCN(CC)C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000252892035 371488609 /nfs/dbraw/zinc/48/86/09/371488609.db2.gz MNXZSAPICAMQPR-OLZOCXBDSA-N 1 0 253.390 2.007 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc(C)n1 ZINC000252583669 371456534 /nfs/dbraw/zinc/45/65/34/371456534.db2.gz YICOLIUEEBGZIR-CVEARBPZSA-N 1 0 259.397 2.449 10 0 CEAERO CCc1ccccc1C[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000253159163 371500541 /nfs/dbraw/zinc/50/05/41/371500541.db2.gz RBHOMLVIIUQALH-QAPCUYQASA-N 1 0 288.435 2.402 10 0 CEAERO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCCO[C@@H]1C ZINC000253278602 371504564 /nfs/dbraw/zinc/50/45/64/371504564.db2.gz OFIDJTREUWDQHQ-BARDWOONSA-N 1 0 282.428 2.038 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)[C@H](C)c2ccncc2)C1 ZINC000253359084 371509975 /nfs/dbraw/zinc/50/99/75/371509975.db2.gz BYRLWHQNCVADFR-UKRRQHHQSA-N 1 0 290.411 2.268 10 0 CEAERO CO[C@H](C)c1nsc(N[C@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000261588612 371667617 /nfs/dbraw/zinc/66/76/17/371667617.db2.gz VUSXNJRYOBYQKG-BBBLOLIVSA-N 1 0 270.402 2.175 10 0 CEAERO Cc1c(CN2CC[NH2+]C[C@H]2c2cccc(F)c2)cnn1C ZINC000261602543 371672929 /nfs/dbraw/zinc/67/29/29/371672929.db2.gz ALPWSIUJDHDKKB-INIZCTEOSA-N 1 0 288.370 2.014 10 0 CEAERO C[C@H](NC(=O)[C@H]([NH3+])C1CCOCC1)[C@@H](C)c1ccccc1 ZINC000261604768 371674539 /nfs/dbraw/zinc/67/45/39/371674539.db2.gz ALDWTEILZICRKO-DVOMOZLQSA-N 1 0 290.407 2.049 10 0 CEAERO C[C@@H](CCC(C)(C)C)NC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261605595 371675700 /nfs/dbraw/zinc/67/57/00/371675700.db2.gz AOLFMINUUJXDAM-AAEUAGOBSA-N 1 0 270.417 2.071 10 0 CEAERO [NH3+][C@@H]1CC[C@H]2CN(Cc3cncc(Br)c3)C[C@@H]12 ZINC000261565451 371649978 /nfs/dbraw/zinc/64/99/78/371649978.db2.gz YKMRMOGBYMHCLP-CYZMBNFOSA-N 1 0 296.212 2.013 10 0 CEAERO CC1(C)CCC(CNC(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000261571390 371654461 /nfs/dbraw/zinc/65/44/61/371654461.db2.gz LAJBKZSSEWOOLL-STQMWFEESA-N 1 0 252.402 2.446 10 0 CEAERO CN(c1nnc(C(F)F)s1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261576574 371657246 /nfs/dbraw/zinc/65/72/46/371657246.db2.gz NUAOMBJYHWXCJP-DHBOJHSNSA-N 1 0 274.340 2.195 10 0 CEAERO CCc1cc(CC)nc(NC[C@]2(C)CCC[NH2+]C2)n1 ZINC000261616168 371680086 /nfs/dbraw/zinc/68/00/86/371680086.db2.gz TZAAWYVOHOUJFW-OAHLLOKOSA-N 1 0 262.401 2.403 10 0 CEAERO Cc1cnc(NC[C@H]2[NH2+]CCc3ccccc32)nc1 ZINC000261580830 371661332 /nfs/dbraw/zinc/66/13/32/371661332.db2.gz FPFHASNJIXANPR-CQSZACIVSA-N 1 0 254.337 2.084 10 0 CEAERO Nc1cccc(C[NH+]2CCC(Cn3cccn3)CC2)c1 ZINC000261733613 371713649 /nfs/dbraw/zinc/71/36/49/371713649.db2.gz STZKTFMEXGLDRF-UHFFFAOYSA-N 1 0 270.380 2.378 10 0 CEAERO Cc1cc2c(NCC3([NH3+])CCCCC3)nccn2n1 ZINC000261637105 371686564 /nfs/dbraw/zinc/68/65/64/371686564.db2.gz WQBVVBYQBKHTJU-UHFFFAOYSA-N 1 0 259.357 2.111 10 0 CEAERO CCOc1ccccc1OCC[N@@H+]1CC[C@@H](O)C[C@H]1C ZINC000639939318 371690253 /nfs/dbraw/zinc/69/02/53/371690253.db2.gz GZZSLPPSNAKVQR-ZIAGYGMSSA-N 1 0 279.380 2.309 10 0 CEAERO Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000261991393 371791856 /nfs/dbraw/zinc/79/18/56/371791856.db2.gz STKARNUDEDGPQL-GVDBMIGSSA-N 1 0 274.408 2.242 10 0 CEAERO [NH3+]C1(C(=O)N2CCCC3(C2)CCCCCC3)CCOCC1 ZINC000261884551 371760489 /nfs/dbraw/zinc/76/04/89/371760489.db2.gz PRGHVTOPHTWEIW-UHFFFAOYSA-N 1 0 294.439 2.457 10 0 CEAERO Fc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)cc1F ZINC000261890251 371762982 /nfs/dbraw/zinc/76/29/82/371762982.db2.gz GJIQUGMOZFDPPH-DAXOMENPSA-N 1 0 296.361 2.212 10 0 CEAERO Cc1cc(C)cc([C@@H](C)NC(=O)[C@H]([NH3+])C2CCOCC2)c1 ZINC000261928272 371774926 /nfs/dbraw/zinc/77/49/26/371774926.db2.gz ZPHNMGJFOWPDKZ-CZUORRHYSA-N 1 0 290.407 2.235 10 0 CEAERO COc1ccc2nc(CN3CCC[C@@H]3C[NH3+])sc2c1 ZINC000262002185 371795329 /nfs/dbraw/zinc/79/53/29/371795329.db2.gz UDMXLYDNHKNPQS-SNVBAGLBSA-N 1 0 277.393 2.228 10 0 CEAERO Fc1ccc(F)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)c1 ZINC000262013127 371799008 /nfs/dbraw/zinc/79/90/08/371799008.db2.gz VRPRWMIGNGJUGR-NUEKZKHPSA-N 1 0 296.361 2.212 10 0 CEAERO COc1ccc(OC(F)F)c(CN2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000262045922 371811241 /nfs/dbraw/zinc/81/12/41/371811241.db2.gz PRDBVRRIWXNGSD-CABZTGNLSA-N 1 0 286.322 2.076 10 0 CEAERO COC[C@@H]([NH3+])C(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000262181577 371834788 /nfs/dbraw/zinc/83/47/88/371834788.db2.gz BNZFVAJBRHALFC-IAGOWNOFSA-N 1 0 298.386 2.060 10 0 CEAERO COC[C@@H]([NH3+])C(=O)N[C@H](C)c1cccc(Cl)c1Cl ZINC000262299388 371849471 /nfs/dbraw/zinc/84/94/71/371849471.db2.gz NSKYLHOCGZSWID-GMSGAONNSA-N 1 0 291.178 2.144 10 0 CEAERO Cc1c(Cl)cccc1OCC(=O)N1CCCC[C@H]1C[NH3+] ZINC000262549492 371875887 /nfs/dbraw/zinc/87/58/87/371875887.db2.gz PZYOLCVOLFZYOH-LBPRGKRZSA-N 1 0 296.798 2.367 10 0 CEAERO [NH3+][C@@H]1CC[C@H](C(=O)Nc2ccc(-c3ncc[nH]3)cc2)C1 ZINC000262644739 371891413 /nfs/dbraw/zinc/89/14/13/371891413.db2.gz MXCGVKGNHJKMTD-NWDGAFQWSA-N 1 0 270.336 2.143 10 0 CEAERO CC(C)[C@@H]1OCC[C@H]1CNC(=O)CC1(C[NH3+])CCCCC1 ZINC000262666518 371894220 /nfs/dbraw/zinc/89/42/20/371894220.db2.gz NQMOZUJGFNQEJL-HOCLYGCPSA-N 1 0 296.455 2.463 10 0 CEAERO CC(C)n1ccnc1CN1[C@H](C)[C@H](C)CC[C@@H]1C[NH3+] ZINC000641810202 372758949 /nfs/dbraw/zinc/75/89/49/372758949.db2.gz UTSQDCPPBXIPGU-MGPQQGTHSA-N 1 0 264.417 2.412 10 0 CEAERO C[C@@H]1C[C@H]([NH2+]CCCN(C)S(C)(=O)=O)CC(C)(C)C1 ZINC000642342443 372831719 /nfs/dbraw/zinc/83/17/19/372831719.db2.gz NDUWBIGBBPTBBQ-OLZOCXBDSA-N 1 0 290.473 2.072 10 0 CEAERO CC1([NH3+])CCN(c2cc(C(F)(F)F)ccn2)CC1 ZINC000643028833 372920439 /nfs/dbraw/zinc/92/04/39/372920439.db2.gz YTHRWNLECVHLLC-UHFFFAOYSA-N 1 0 259.275 2.418 10 0 CEAERO CC1([NH3+])CCN(c2ccnc(C(F)(F)F)c2)CC1 ZINC000643028846 372921054 /nfs/dbraw/zinc/92/10/54/372921054.db2.gz ZQPQWCHSEQDWFC-UHFFFAOYSA-N 1 0 259.275 2.418 10 0 CEAERO COCCC1(C(=O)N(C)c2ccccc2)CC[NH2+]CC1 ZINC000643614104 373220764 /nfs/dbraw/zinc/22/07/64/373220764.db2.gz JXYZFVIFPDVQPZ-UHFFFAOYSA-N 1 0 276.380 2.056 10 0 CEAERO COC[C@]1(C(=O)Nc2ccc(C)cc2C)CCC[NH2+]1 ZINC000643614876 373221041 /nfs/dbraw/zinc/22/10/41/373221041.db2.gz OJUQLNKGSNRQQT-HNNXBMFYSA-N 1 0 262.353 2.011 10 0 CEAERO COC[C@]1(C(=O)N[C@@H](C)c2cccc(Cl)c2)CCC[NH2+]1 ZINC000643618787 373222699 /nfs/dbraw/zinc/22/26/99/373222699.db2.gz BLKPVUWFLWMIEQ-NHYWBVRUSA-N 1 0 296.798 2.286 10 0 CEAERO COCCC1(C(=O)N[C@H](C)c2cccs2)CC[NH2+]CC1 ZINC000643619651 373222809 /nfs/dbraw/zinc/22/28/09/373222809.db2.gz CNYWMCIHHZVARV-GFCCVEGCSA-N 1 0 296.436 2.332 10 0 CEAERO COCCC1(C(=O)N(C)Cc2cccs2)CC[NH2+]CC1 ZINC000643618151 373223236 /nfs/dbraw/zinc/22/32/36/373223236.db2.gz DVDBVFLCBIQARM-UHFFFAOYSA-N 1 0 296.436 2.113 10 0 CEAERO COC[C@@]1(C(=O)N[C@@H](C)c2cc(C)sc2C)CCC[NH2+]1 ZINC000643635217 373227075 /nfs/dbraw/zinc/22/70/75/373227075.db2.gz BVAHWNZGWPWEPQ-XHDPSFHLSA-N 1 0 296.436 2.311 10 0 CEAERO COC[C@]1(C(=O)Nc2ccc(Cl)c(F)c2)CCC[NH2+]1 ZINC000643629807 373227370 /nfs/dbraw/zinc/22/73/70/373227370.db2.gz ALHXQUGZGFAFTJ-ZDUSSCGKSA-N 1 0 286.734 2.186 10 0 CEAERO CC(C)OC[C@H](O)C[NH+]1CCC(c2nccs2)CC1 ZINC000368847362 373277244 /nfs/dbraw/zinc/27/72/44/373277244.db2.gz YHNKNAMBZFCVGP-CYBMUJFWSA-N 1 0 284.425 2.108 10 0 CEAERO CCCC1CCC(NC(=O)[C@]2(COC)CCC[NH2+]2)CC1 ZINC000643657777 373230933 /nfs/dbraw/zinc/23/09/33/373230933.db2.gz BYDXFEYONSUEIP-ZBCRRDGASA-N 1 0 282.428 2.230 10 0 CEAERO O[C@@H]1CCCCC[C@H]1[NH2+]Cc1cc(-c2cccnc2)n[nH]1 ZINC000377337989 374838041 /nfs/dbraw/zinc/83/80/41/374838041.db2.gz RXMKEDLBXOCJLJ-GDBMZVCRSA-N 1 0 286.379 2.255 10 0 CEAERO c1ccc2c(c1)ccnc2N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000382045958 375183152 /nfs/dbraw/zinc/18/31/52/375183152.db2.gz VODLJHZUDZMAHQ-UKRRQHHQSA-N 1 0 253.349 2.423 10 0 CEAERO CCS(=O)(=O)c1ccc(N[C@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000382453501 375186281 /nfs/dbraw/zinc/18/62/81/375186281.db2.gz OUOFILYDNZELKF-AAEUAGOBSA-N 1 0 282.409 2.020 10 0 CEAERO CCn1c2ccccc2nc1CN[C@H]1CC[N@H+](CC)C1 ZINC000389228090 375300302 /nfs/dbraw/zinc/30/03/02/375300302.db2.gz HWVGWXHYGPVIKS-ZDUSSCGKSA-N 1 0 272.396 2.240 10 0 CEAERO Cc1nnsc1CN[C@@H](C[NH+](C)C)c1ccccc1 ZINC000394829169 375332388 /nfs/dbraw/zinc/33/23/88/375332388.db2.gz BUDNMJXQJDVRSC-ZDUSSCGKSA-N 1 0 276.409 2.239 10 0 CEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccccc1OC(F)F ZINC000282320360 375456132 /nfs/dbraw/zinc/45/61/32/375456132.db2.gz KZPQFELYWJRNCI-ONGXEEELSA-N 1 0 284.306 2.045 10 0 CEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000282367676 375467215 /nfs/dbraw/zinc/46/72/15/375467215.db2.gz NQXFHIOERFBVKA-GXSJLCMTSA-N 1 0 281.425 2.197 10 0 CEAERO Cc1ccc(C2CC([NH2+][C@@H]3CCC(=O)N[C@H]3C)C2)cc1 ZINC000282127212 375409132 /nfs/dbraw/zinc/40/91/32/375409132.db2.gz BDTBLWKHFVIZSW-HOJRLLLISA-N 1 0 272.392 2.498 10 0 CEAERO COc1cccc([C@H](C)[NH2+][C@H]2CCC(=O)N[C@@H]2C)c1 ZINC000282379949 375469756 /nfs/dbraw/zinc/46/97/56/375469756.db2.gz OJMIWJINZRSMSC-WDMOLILDSA-N 1 0 262.353 2.013 10 0 CEAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000282279931 375446883 /nfs/dbraw/zinc/44/68/83/375446883.db2.gz IBYQTPVDTNQQOD-NOZJJQNGSA-N 1 0 294.782 2.032 10 0 CEAERO C[C@@H]1C[C@@H](C[NH2+]Cc2cc(C(N)=O)cs2)C[C@H](C)O1 ZINC000282306034 375453640 /nfs/dbraw/zinc/45/36/40/375453640.db2.gz SDLXPZOCIZWCKP-JGPRNRPPSA-N 1 0 282.409 2.140 10 0 CEAERO COc1ccc(C[N@H+](C)[C@@H]2CCC[C@H]2O)cc1OC ZINC000289608417 376417902 /nfs/dbraw/zinc/41/79/02/376417902.db2.gz LCKJULORDYAJRM-CHWSQXEVSA-N 1 0 265.353 2.049 10 0 CEAERO CCCCOC[C@H](O)C[NH+]1CCC(OC2CCC2)CC1 ZINC000419295471 376433264 /nfs/dbraw/zinc/43/32/64/376433264.db2.gz CDLBUMQETNPLGT-CQSZACIVSA-N 1 0 285.428 2.198 10 0 CEAERO CC[C@H](C[N@@H+]1C[C@@H]2CCCCN2C[C@H]1CC)OC ZINC000311041236 376649527 /nfs/dbraw/zinc/64/95/27/376649527.db2.gz FCEMZEPNOPOAGK-QLFBSQMISA-N 1 0 254.418 2.360 10 0 CEAERO CCCOc1cncc(-c2cnn(CCC[NH3+])c2)c1 ZINC000311789882 376686273 /nfs/dbraw/zinc/68/62/73/376686273.db2.gz MABWBMJRZHBPFL-UHFFFAOYSA-N 1 0 260.341 2.083 10 0 CEAERO CCn1nc(C)c([C@@H](C)NC[C@@H](C)C[NH+](C)C)c1C ZINC000311822097 376688460 /nfs/dbraw/zinc/68/84/60/376688460.db2.gz NITIYLCIKWRCLU-VXGBXAGGSA-N 1 0 266.433 2.368 10 0 CEAERO CO[C@H]1C[C@@H](CO)[N@H+](Cc2cc(C)nc3ccccc23)C1 ZINC000314678651 376780390 /nfs/dbraw/zinc/78/03/90/376780390.db2.gz ZGOVLYNTGNNPQN-GJZGRUSLSA-N 1 0 286.375 2.125 10 0 CEAERO CC(C)[C@H]([NH3+])CCN(C)c1ccc(OC(F)F)cn1 ZINC000327482401 376842666 /nfs/dbraw/zinc/84/26/66/376842666.db2.gz LWWYSWLOGWHHHA-LLVKDONJSA-N 1 0 273.327 2.493 10 0 CEAERO CC(C)=CC(=O)N1CC[C@@H](c2ccccc2)[C@@H]([NH3+])C1 ZINC000616568470 542153787 /nfs/dbraw/zinc/15/37/87/542153787.db2.gz BQCFCGKSRVPBHT-GJZGRUSLSA-N 1 0 258.365 2.296 10 0 CEAERO CCS(=O)(=O)c1ccc(NCCC[NH2+]C(C)C)cc1 ZINC000563661547 377274033 /nfs/dbraw/zinc/27/40/33/377274033.db2.gz YYAUTLOYRMAGCU-UHFFFAOYSA-N 1 0 284.425 2.280 10 0 CEAERO C[C@H]1[C@@H](O)CCC[N@@H+]1CCc1ccc2c(c1)CCO2 ZINC000296317868 378488895 /nfs/dbraw/zinc/48/88/95/378488895.db2.gz QDRFGSGUALUIJN-WFASDCNBSA-N 1 0 261.365 2.009 10 0 CEAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C[C@H]1CCSC1 ZINC000300271121 379158525 /nfs/dbraw/zinc/15/85/25/379158525.db2.gz PVIGQWARCYNHIN-MGPQQGTHSA-N 1 0 254.443 2.298 10 0 CEAERO COCCCCCN1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000300405429 379165190 /nfs/dbraw/zinc/16/51/90/379165190.db2.gz PYZVZLISIVZAML-CABCVRRESA-N 1 0 254.418 2.362 10 0 CEAERO CC(C)(CCCO)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000300413930 379169821 /nfs/dbraw/zinc/16/98/21/379169821.db2.gz FNKMTQWIEXFGND-YNEHKIRRSA-N 1 0 255.402 2.188 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CCOCC(F)F ZINC000300422387 379173570 /nfs/dbraw/zinc/17/35/70/379173570.db2.gz ZBMJPYAOOGRHTP-OLZOCXBDSA-N 1 0 276.371 2.217 10 0 CEAERO C[C@H]([NH2+]C[C@@H]1CCO[C@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000300595729 379177038 /nfs/dbraw/zinc/17/70/38/379177038.db2.gz HGGBUFURTZREAR-OBJOEFQTSA-N 1 0 297.420 2.166 10 0 CEAERO Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CCc2nnc(C(C)C)n2C1 ZINC000181090511 542270412 /nfs/dbraw/zinc/27/04/12/542270412.db2.gz QZOLQKRYDCAPNL-JQWIXIFHSA-N 1 0 288.399 2.099 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)/C=C\c2ccc(O)cc2)C1 ZINC000492584334 380612638 /nfs/dbraw/zinc/61/26/38/380612638.db2.gz APYJNDKHOLCJRL-XHTKRDSESA-N 1 0 288.391 2.250 10 0 CEAERO C[C@@H]([NH2+]CC(=O)N(C1CC1)C1CCCC1)[C@H]1CCCO1 ZINC000183092205 542286317 /nfs/dbraw/zinc/28/63/17/542286317.db2.gz FPZRDGWCBZHZMZ-IUODEOHRSA-N 1 0 280.412 2.077 10 0 CEAERO C[C@@H]([NH2+]CC(=O)N(C)C1CCC(C)CC1)[C@H]1CCCO1 ZINC000183119059 542287102 /nfs/dbraw/zinc/28/71/02/542287102.db2.gz CFYYTAOQEHWIPP-HXSCFSKGSA-N 1 0 282.428 2.181 10 0 CEAERO CC[NH+](CC)CCCNC(=O)c1ccc2c[nH]nc2c1 ZINC000060393094 184567707 /nfs/dbraw/zinc/56/77/07/184567707.db2.gz IIBBQBQKDOUEPA-UHFFFAOYSA-N 1 0 274.368 2.025 10 0 CEAERO CCN1C(=O)CC[C@@H]([NH3+])[C@@H]1c1ccc(SC)cc1 ZINC000070985662 184574405 /nfs/dbraw/zinc/57/44/05/184574405.db2.gz HNUQQVGRHHXEBZ-OCCSQVGLSA-N 1 0 264.394 2.419 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)CCN1CCc2ccccc21 ZINC000085217043 184605878 /nfs/dbraw/zinc/60/58/78/184605878.db2.gz FJLOIOWOEWNHOV-MRXNPFEDSA-N 1 0 262.397 2.188 10 0 CEAERO C[C@H]([NH3+])[C@@H](N1CCc2ccccc2CC1)C(F)(F)F ZINC000079570334 184592932 /nfs/dbraw/zinc/59/29/32/184592932.db2.gz INNYTGSQEBKQTE-GXFFZTMASA-N 1 0 272.314 2.365 10 0 CEAERO COC(OC)[C@H](C)[NH2+]Cc1ccccc1N1CCCC1 ZINC000079585060 184594581 /nfs/dbraw/zinc/59/45/81/184594581.db2.gz XLJGVVKQAIFLEC-ZDUSSCGKSA-N 1 0 278.396 2.384 10 0 CEAERO CC[C@H]([NH3+])CSc1nnc(C2CC2)n1C1CC1 ZINC000081857162 184597756 /nfs/dbraw/zinc/59/77/56/184597756.db2.gz CJXYWXARKAYCIY-VIFPVBQESA-N 1 0 252.387 2.320 10 0 CEAERO CCC[C@@H]([NH3+])CSc1nnc2n1CCCCC2 ZINC000081865760 184598178 /nfs/dbraw/zinc/59/81/78/184598178.db2.gz LSAHKAXUKSPGEU-SNVBAGLBSA-N 1 0 254.403 2.224 10 0 CEAERO CC[C@@H]1CCCC[N@@H+]1C[C@@](N)(CO)c1ccccc1 ZINC000085239589 184608005 /nfs/dbraw/zinc/60/80/05/184608005.db2.gz UMZKFJAEVCYGNK-HZPDHXFCSA-N 1 0 262.397 2.097 10 0 CEAERO Cc1cc(Br)cnc1O[C@H]1CC[C@@H]([NH3+])C1 ZINC000086708974 184609999 /nfs/dbraw/zinc/60/99/99/184609999.db2.gz RGBBJNZORNUBQJ-ZJUUUORDSA-N 1 0 271.158 2.411 10 0 CEAERO CC(C)[NH2+]CCCCS(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000088920324 184614551 /nfs/dbraw/zinc/61/45/51/184614551.db2.gz YCHPCDUUIDJAQD-KBPBESRZSA-N 1 0 290.473 2.072 10 0 CEAERO C[C@@H](CN(C)c1cc(C(F)(F)F)ccn1)C(N)=[NH2+] ZINC000090802765 184617729 /nfs/dbraw/zinc/61/77/29/184617729.db2.gz CDEOQZWPPMHBCM-ZETCQYMHSA-N 1 0 260.263 2.109 10 0 CEAERO Cc1cc(C)c(C)c(OC[C@@](C)(O)C[NH2+]C2CC2)c1 ZINC000090823611 184618288 /nfs/dbraw/zinc/61/82/88/184618288.db2.gz ZCLLDTPCHPXUEJ-INIZCTEOSA-N 1 0 263.381 2.494 10 0 CEAERO CC[C@](C)([NH3+])COC(=O)Nc1cccc(OC)c1 ZINC000092744033 184624671 /nfs/dbraw/zinc/62/46/71/184624671.db2.gz HVBVZZVUEAZYLS-ZDUSSCGKSA-N 1 0 252.314 2.371 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@H](OC[C@@H]1CCCCO1)C2 ZINC000092840188 184630739 /nfs/dbraw/zinc/63/07/39/184630739.db2.gz HPRXNEOYKBBBSU-IMJJTQAJSA-N 1 0 277.364 2.205 10 0 CEAERO CC/C(=C/c1ccc(C(=O)OC)o1)C[NH2+]CCOC ZINC000092726822 184623465 /nfs/dbraw/zinc/62/34/65/184623465.db2.gz LLAPCXNMZKOMJP-LUAWRHEFSA-N 1 0 267.325 2.096 10 0 CEAERO O=C(NC12CC3CC(CC(C3)C1)C2)OC[C@H]1CCC[NH2+]1 ZINC000092742971 184624250 /nfs/dbraw/zinc/62/42/50/184624250.db2.gz NVEKSLOXIIGMQQ-MHCOZEDOSA-N 1 0 278.396 2.433 10 0 CEAERO CCN(CC(C)(C)O)c1cccc(Cl)c1C(N)=[NH2+] ZINC000092967842 184638866 /nfs/dbraw/zinc/63/88/66/184638866.db2.gz XGIHYWAGBJOHEG-UHFFFAOYSA-N 1 0 269.776 2.221 10 0 CEAERO O=C(CCC[NH2+][C@H]1CCCc2cc(O)ccc21)NC1CC1 ZINC000092987328 184641184 /nfs/dbraw/zinc/64/11/84/184641184.db2.gz HSEHYRVBZKVHFK-INIZCTEOSA-N 1 0 288.391 2.418 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]CCC(=O)NC2CC2)C12CCCCC2 ZINC000092986701 184641234 /nfs/dbraw/zinc/64/12/34/184641234.db2.gz NHTCMHNQIWOMGZ-LSDHHAIUSA-N 1 0 294.439 2.373 10 0 CEAERO c1ncn(C2CC2)c1[C@H]1OCCC[C@@H]1C[NH2+]C1CC1 ZINC000092887302 184633419 /nfs/dbraw/zinc/63/34/19/184633419.db2.gz DLVLAHBSKHYGQK-ABAIWWIYSA-N 1 0 261.369 2.438 10 0 CEAERO CCOC(=O)c1c(C)nsc1NCC[NH+](CC)CC ZINC000092912658 184633867 /nfs/dbraw/zinc/63/38/67/184633867.db2.gz ZNHFQIMODRSZRL-UHFFFAOYSA-N 1 0 285.413 2.382 10 0 CEAERO C[C@H]1[NH2+]CC[C@@H]1C(=O)OCc1cccc(Cl)c1 ZINC000092941114 184636393 /nfs/dbraw/zinc/63/63/93/184636393.db2.gz XWEGMACBSOBBRA-SKDRFNHKSA-N 1 0 253.729 2.381 10 0 CEAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC2(CCCC2)CC1 ZINC000092956852 184637572 /nfs/dbraw/zinc/63/75/72/184637572.db2.gz RWKRTAOVHBGGOQ-STQMWFEESA-N 1 0 250.386 2.167 10 0 CEAERO CC(C)CN(CC(F)(F)F)C(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000092954377 184637637 /nfs/dbraw/zinc/63/76/37/184637637.db2.gz ITVOWAMJXLAUDE-ZJUUUORDSA-N 1 0 266.307 2.031 10 0 CEAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(Cc1ccco1)Cc1ccco1 ZINC000092953718 184637645 /nfs/dbraw/zinc/63/76/45/184637645.db2.gz USLWGHDIEIZCRR-WFASDCNBSA-N 1 0 288.347 2.399 10 0 CEAERO Cc1cccc([C@H](C[NH2+]C2CC2)Cc2ncnn2C)c1 ZINC000093126688 184650865 /nfs/dbraw/zinc/65/08/65/184650865.db2.gz KKWLORVPSZYKHE-AWEZNQCLSA-N 1 0 270.380 2.202 10 0 CEAERO C[NH2+]C[C@H](Cc1ncnn1C)c1ccccc1Cl ZINC000093180114 184653571 /nfs/dbraw/zinc/65/35/71/184653571.db2.gz BXKYPRZUNUOHKK-JTQLQIEISA-N 1 0 264.760 2.014 10 0 CEAERO CCS(=O)(=O)CC[C@H](C[NH2+]C1CC1)c1ccccc1F ZINC000093178308 184653804 /nfs/dbraw/zinc/65/38/04/184653804.db2.gz IMVOICHRVDGANN-GFCCVEGCSA-N 1 0 299.411 2.486 10 0 CEAERO CC[NH2+]Cc1cn(C)nc1-c1c(Cl)nc2ccccn21 ZINC000093297037 184661278 /nfs/dbraw/zinc/66/12/78/184661278.db2.gz QVOPCFZWLQHLRF-UHFFFAOYSA-N 1 0 289.770 2.498 10 0 CEAERO CCC[NH2+]Cc1c[nH]nc1-c1c(C)nn(CC)c1C ZINC000093295824 184661437 /nfs/dbraw/zinc/66/14/37/184661437.db2.gz FWPXCGCRDWJMHH-UHFFFAOYSA-N 1 0 261.373 2.410 10 0 CEAERO CCC[NH2+][C@H](c1ccc2c(c1)OCCO2)C(OC)OC ZINC000093305542 184662225 /nfs/dbraw/zinc/66/22/25/184662225.db2.gz MLUHGYCMPURYHK-CQSZACIVSA-N 1 0 281.352 2.117 10 0 CEAERO Cc1nc(-c2cccc(N[C@@H]3CCC[C@@H]([NH3+])C3)c2)n[nH]1 ZINC000093214997 184656409 /nfs/dbraw/zinc/65/64/09/184656409.db2.gz BGVTZCLRRLKLIT-TZMCWYRMSA-N 1 0 271.368 2.462 10 0 CEAERO [NH3+]CCOCC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000093230496 184657338 /nfs/dbraw/zinc/65/73/38/184657338.db2.gz HHPBQNPSOONFEB-UHFFFAOYSA-N 1 0 296.676 2.273 10 0 CEAERO C[C@H](NC(=O)C1(C)C[NH2+]C1)c1ccccc1Cl ZINC000335229038 207978426 /nfs/dbraw/zinc/97/84/26/207978426.db2.gz XMHQZRYOGVVBJB-VIFPVBQESA-N 1 0 252.745 2.127 10 0 CEAERO C[C@H]1CN(C(=O)Nc2ccc(Br)cc2)C[C@H]1[NH3+] ZINC000335262606 208052937 /nfs/dbraw/zinc/05/29/37/208052937.db2.gz IPLSUMOZTQPXLU-GZMMTYOYSA-N 1 0 298.184 2.260 10 0 CEAERO [NH3+][C@H]1CCCN(C(=O)c2cc(Cl)c3ccccc3n2)C1 ZINC000335382259 208326113 /nfs/dbraw/zinc/32/61/13/208326113.db2.gz WSNRJPJMLOFIJM-JTQLQIEISA-N 1 0 289.766 2.452 10 0 CEAERO COC(=O)c1ccc(C[NH2+]CC2C[C@H](C)O[C@@H](C)C2)[nH]1 ZINC000281192330 195142849 /nfs/dbraw/zinc/14/28/49/195142849.db2.gz ILMAOIZBUCITKZ-QWRGUYRKSA-N 1 0 280.368 2.095 10 0 CEAERO C[C@H](C[C@H]1CCCCC[NH2+]1)Nc1ccccc1CC(N)=O ZINC000093515434 184686714 /nfs/dbraw/zinc/68/67/14/184686714.db2.gz WGSFNTRCEDDITG-UKRRQHHQSA-N 1 0 289.423 2.437 10 0 CEAERO COCCN1C(=[NH2+])NC[C@H]1c1ccc2ccccc2c1 ZINC000093380045 184668860 /nfs/dbraw/zinc/66/88/60/184668860.db2.gz WAFODGXEJNSWBF-HNNXBMFYSA-N 1 0 269.348 2.158 10 0 CEAERO C[C@@]1(c2cccnc2)CNC(=[NH2+])N1c1ccc(F)cc1 ZINC000093379590 184668976 /nfs/dbraw/zinc/66/89/76/184668976.db2.gz WVEOAVLEVWHVNS-HNNXBMFYSA-N 1 0 270.311 2.271 10 0 CEAERO C[C@@]1(c2ccccn2)CNC(=[NH2+])N1Cc1cccs1 ZINC000093392740 184670225 /nfs/dbraw/zinc/67/02/25/184670225.db2.gz RRGIGEVCECUPKM-AWEZNQCLSA-N 1 0 272.377 2.189 10 0 CEAERO CN(CC1CC[NH+](C)CC1)c1cccc(F)c1C(N)=S ZINC000093407733 184671747 /nfs/dbraw/zinc/67/17/47/184671747.db2.gz RYDKIDZCCCHBHD-UHFFFAOYSA-N 1 0 295.427 2.238 10 0 CEAERO CCC[NH2+][C@H](CC)[C@H](C)Sc1n[nH]c(=O)n1CCC ZINC000081879331 177873240 /nfs/dbraw/zinc/87/32/40/177873240.db2.gz CUGXRGOFLBLLSS-WDEREUQCSA-N 1 0 286.445 2.240 10 0 CEAERO C[NH2+][C@H](CSc1ncnc2[nH]cnc21)C(C)(C)C ZINC000081876436 177871103 /nfs/dbraw/zinc/87/11/03/177871103.db2.gz OGWAGYMFIWKBJG-MRVPVSSYSA-N 1 0 265.386 2.079 10 0 CEAERO COC(=O)CCS[C@@H]1CCc2ccccc2[C@@H]1[NH3+] ZINC000081790458 177859962 /nfs/dbraw/zinc/85/99/62/177859962.db2.gz OENMTNBBNXVUPS-OCCSQVGLSA-N 1 0 265.378 2.298 10 0 CEAERO COc1ccc([C@@H]([NH3+])[C@H](C)Sc2nncn2C)cc1 ZINC000081867300 177867078 /nfs/dbraw/zinc/86/70/78/177867078.db2.gz ZOAPLSNFXBXBAL-CABZTGNLSA-N 1 0 278.381 2.004 10 0 CEAERO CCC[C@H]1CC[C@H]([NH3+])[C@H](SCCS(C)(=O)=O)C1 ZINC000081769036 177856032 /nfs/dbraw/zinc/85/60/32/177856032.db2.gz YCEFVDHRVWLDDM-SDDRHHMPSA-N 1 0 279.471 2.060 10 0 CEAERO CCC[NH2+]Cc1cc(=O)[nH]c(Cc2ccc(F)cc2F)n1 ZINC000080986102 177744720 /nfs/dbraw/zinc/74/47/20/177744720.db2.gz QLWNKMGZDWRLAC-UHFFFAOYSA-N 1 0 293.317 2.139 10 0 CEAERO CCOC(=O)C[C@](C)(c1ccccn1)[NH+]1CCCC1 ZINC000080688300 177691505 /nfs/dbraw/zinc/69/15/05/177691505.db2.gz XVDBMDSDZMIVKM-OAHLLOKOSA-N 1 0 262.353 2.346 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+]CC2CCC2)C12CCOCC2 ZINC000186282216 270249426 /nfs/dbraw/zinc/24/94/26/270249426.db2.gz SXWYFIXHVPDRLA-KGLIPLIRSA-N 1 0 253.386 2.350 10 0 CEAERO COC(=O)CC[C@@H]([NH3+])Cc1cccc2c1OC(C)(C)C2 ZINC000080508122 177660469 /nfs/dbraw/zinc/66/04/69/177660469.db2.gz LBRYVLBWNQEJAO-CYBMUJFWSA-N 1 0 277.364 2.223 10 0 CEAERO CC[NH2+]Cc1cccc2c1ccn2CCC(=O)N(C)C ZINC000080336380 177643704 /nfs/dbraw/zinc/64/37/04/177643704.db2.gz HWVNOWYPOSGNLK-UHFFFAOYSA-N 1 0 273.380 2.229 10 0 CEAERO Cc1cc(C)c(C(N)=[NH2+])c(N(CC2CC2)C2CC2)n1 ZINC000080369693 177646007 /nfs/dbraw/zinc/64/60/07/177646007.db2.gz UAQWQGCYFUUMSF-UHFFFAOYSA-N 1 0 258.369 2.361 10 0 CEAERO CC[NH2+][C@@H]1CCC[C@H]1CCn1c(C)nc(C)cc1=O ZINC000093557573 184691210 /nfs/dbraw/zinc/69/12/10/184691210.db2.gz KOQSASWIUBZPGT-UONOGXRCSA-N 1 0 263.385 2.028 10 0 CEAERO CC1CC[NH+](CC[C@@H]2CCC[C@@]2([NH2+]C2CC2)C(=O)[O-])CC1 ZINC000093582846 184692444 /nfs/dbraw/zinc/69/24/44/184692444.db2.gz WZEIPYYNNNUBNY-YOEHRIQHSA-N 1 0 294.439 2.484 10 0 CEAERO C[NH2+][C@]1(CO)CCC[C@@H]1CCN(C)c1ccc(F)cc1 ZINC000093615376 184694834 /nfs/dbraw/zinc/69/48/34/184694834.db2.gz UXCMIJTXKKLLEL-CJNGLKHVSA-N 1 0 280.387 2.403 10 0 CEAERO CCC[NH2+][C@@]1(CO)CCC[C@@H]1CCOC1CCC1 ZINC000093619290 184696598 /nfs/dbraw/zinc/69/65/98/184696598.db2.gz LUEJTLGUDDVZOJ-UKRRQHHQSA-N 1 0 255.402 2.476 10 0 CEAERO Cc1nn(CC[C@@H]2CCC[C@]2([NH3+])CO)c(C)c1Cl ZINC000093618489 184696610 /nfs/dbraw/zinc/69/66/10/184696610.db2.gz SPOACOGLLLKXPT-AAEUAGOBSA-N 1 0 271.792 2.033 10 0 CEAERO CC(C)[NH2+][C@]1(C(N)=O)CCC[C@H]1CCOC(C)(C)C ZINC000093618859 184696629 /nfs/dbraw/zinc/69/66/29/184696629.db2.gz KEYUJNSLUGYQET-SWLSCSKDSA-N 1 0 270.417 2.214 10 0 CEAERO C[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCSc1nc(C)cs1 ZINC000093629453 184698663 /nfs/dbraw/zinc/69/86/63/184698663.db2.gz JTGNIXOTQXEAAV-ZWNOBZJWSA-N 1 0 299.465 2.177 10 0 CEAERO NC(=O)[C@]1([NH3+])CCC[C@H]1CCSc1ccccc1 ZINC000093628554 184698907 /nfs/dbraw/zinc/69/89/07/184698907.db2.gz ZQWAVNLKXMYYDY-FZMZJTMJSA-N 1 0 264.394 2.152 10 0 CEAERO COC(=O)C(C)(C)COc1ccc(C[C@H](C)[NH3+])cc1OC ZINC000093718953 184709190 /nfs/dbraw/zinc/70/91/90/184709190.db2.gz UPSTVJCXJDTZPF-NSHDSACASA-N 1 0 295.379 2.163 10 0 CEAERO CC[NH2+][C@]1(CO)CCC[C@H](Sc2nccc(C)n2)C1 ZINC000093786029 184721899 /nfs/dbraw/zinc/72/18/99/184721899.db2.gz NGBBDWWWPPRGAD-GXTWGEPZSA-N 1 0 281.425 2.160 10 0 CEAERO CCOc1cccc(O[C@H]2CCC[C@](CO)([NH2+]C)C2)c1 ZINC000093784432 184722044 /nfs/dbraw/zinc/72/20/44/184722044.db2.gz XHKXIHSNBQENNJ-HOTGVXAUSA-N 1 0 279.380 2.357 10 0 CEAERO CC[NH2+][C@@H](Cc1cccs1)[C@@H]1CN(C(C)C)CCO1 ZINC000093927866 184744700 /nfs/dbraw/zinc/74/47/00/184744700.db2.gz QZCWYHASZSBAGN-GJZGRUSLSA-N 1 0 282.453 2.378 10 0 CEAERO COc1cc(C2(O)CC[NH+](C)CC2)ccc1Cl ZINC000094006924 184749927 /nfs/dbraw/zinc/74/99/27/184749927.db2.gz LSQOMTLGSLDPQF-UHFFFAOYSA-N 1 0 255.745 2.262 10 0 CEAERO C[NH2+][C@H]1c2c(c(OC)cc(OC)c2OC)C[C@@H]1C ZINC000094065001 184753637 /nfs/dbraw/zinc/75/36/37/184753637.db2.gz YJXBEQRZRGDYHM-ISVAXAHUSA-N 1 0 251.326 2.165 10 0 CEAERO CC(C)n1ccc(COc2ccc(C[C@@H](C)[NH3+])nc2)n1 ZINC000094216042 184764066 /nfs/dbraw/zinc/76/40/66/184764066.db2.gz OWOVFWPKQWCHHV-GFCCVEGCSA-N 1 0 274.368 2.328 10 0 CEAERO CCC[C@H](C)NC(=O)COc1ccc(C[C@H]([NH3+])CC)nc1 ZINC000094216598 184764394 /nfs/dbraw/zinc/76/43/94/184764394.db2.gz OYYZAIVBYYAVGN-QWHCGFSZSA-N 1 0 293.411 2.045 10 0 CEAERO CC[C@@](C)([NH3+])c1nc(Cc2ccc(OC)c(OC)c2)no1 ZINC000094223367 184765682 /nfs/dbraw/zinc/76/56/82/184765682.db2.gz PUDOMILJKPIKBX-OAHLLOKOSA-N 1 0 291.351 2.262 10 0 CEAERO CC[C@H](NC(=O)[C@](C)([NH3+])CC)c1ccc(OC)cc1 ZINC000094233228 184767026 /nfs/dbraw/zinc/76/70/26/184767026.db2.gz XTVVNLCEIRLIGD-DZGCQCFKSA-N 1 0 264.369 2.390 10 0 CEAERO CCC[NH2+][C@@H]1[C@H](N2CCOCC2)CCCC1(C)C ZINC000094273202 184774387 /nfs/dbraw/zinc/77/43/87/184774387.db2.gz WRTOXYLHOCHZMN-ZIAGYGMSSA-N 1 0 254.418 2.266 10 0 CEAERO CC[NH2+][C@H]1[C@@H](Sc2nnnn2C2CC2)CCC1(C)C ZINC000094312987 184779003 /nfs/dbraw/zinc/77/90/03/184779003.db2.gz AIWAMUNLKWZWCB-QWRGUYRKSA-N 1 0 281.429 2.267 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N[C@@H]1CCCCC1(C)C ZINC000094327961 184781689 /nfs/dbraw/zinc/78/16/89/184781689.db2.gz FPXPEISZNVPODZ-BFHYXJOUSA-N 1 0 282.428 2.086 10 0 CEAERO CCOc1cc(C(F)(F)F)nc([C@@H]2CCC[NH2+]C2)n1 ZINC000094333978 184782461 /nfs/dbraw/zinc/78/24/61/184782461.db2.gz AMXWPGKTTCPWIE-MRVPVSSYSA-N 1 0 275.274 2.361 10 0 CEAERO [NH3+]C1(CO[C@H]2CCO[C@@]3(CCSC3)C2)CCCC1 ZINC000094381096 184791849 /nfs/dbraw/zinc/79/18/49/184791849.db2.gz CDTCPEGUABBUNQ-JSGCOSHPSA-N 1 0 271.426 2.329 10 0 CEAERO COC[C@@](C)([NH3+])[C@@H]1CCOC2(CCSCC2)C1 ZINC000094390894 184793106 /nfs/dbraw/zinc/79/31/06/184793106.db2.gz LNRUNGAOPZUWFQ-VXGBXAGGSA-N 1 0 259.415 2.043 10 0 CEAERO C[NH2+][C@@H](c1ccccn1)[C@H]1CCOC2(CCOCC2)C1 ZINC000094398711 184793166 /nfs/dbraw/zinc/79/31/66/184793166.db2.gz VISIBWOBKPYBSC-DZGCQCFKSA-N 1 0 276.380 2.318 10 0 CEAERO CCSC[C@H]([NH3+])[C@H]1CCOC2(CCOCC2)C1 ZINC000094404021 184793227 /nfs/dbraw/zinc/79/32/27/184793227.db2.gz MAQDPMALKJSAIB-RYUDHWBXSA-N 1 0 259.415 2.043 10 0 CEAERO OCC[N@H+](C1CC1)[C@@H]1CCOC2(CCCCC2)C1 ZINC000094410822 184794394 /nfs/dbraw/zinc/79/43/94/184794394.db2.gz WBZUZFFPURAKQP-CQSZACIVSA-N 1 0 253.386 2.325 10 0 CEAERO [NH3+][C@H](CC[C@H]1CCOC2(CCOCC2)C1)C1CC1 ZINC000094415210 184795056 /nfs/dbraw/zinc/79/50/56/184795056.db2.gz PPBZQAJFVSVOQN-GXTWGEPZSA-N 1 0 253.386 2.480 10 0 CEAERO CO[C@@H]1CCC[C@H](OC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000094746949 184852413 /nfs/dbraw/zinc/85/24/13/184852413.db2.gz XTYZZQKURQGHSQ-RQJABVFESA-N 1 0 269.385 2.395 10 0 CEAERO CC[NH2+][C@H](Cc1c(Cl)c(C)nn1C)[C@]1(C)CCCO1 ZINC000094784217 184862723 /nfs/dbraw/zinc/86/27/23/184862723.db2.gz MFMOUOHLEKAVBO-OCCSQVGLSA-N 1 0 285.819 2.472 10 0 CEAERO C[C@@H]([NH2+]C[C@]1(C)CCCO1)c1ccc(NC(N)=O)cc1 ZINC000094798277 184866366 /nfs/dbraw/zinc/86/63/66/184866366.db2.gz VGDAYTGQKXJGHC-ABAIWWIYSA-N 1 0 277.368 2.397 10 0 CEAERO C[C@H]1SCCC[C@]1(C[NH3+])N(C)CCc1ccccn1 ZINC000094478720 184807881 /nfs/dbraw/zinc/80/78/81/184807881.db2.gz FPNBZEYCHVCQFB-UKRRQHHQSA-N 1 0 279.453 2.169 10 0 CEAERO Cc1cccc(N2C(=[NH2+])NC[C@@]23CS[C@H](C)C3)c1 ZINC000094475220 184808021 /nfs/dbraw/zinc/80/80/21/184808021.db2.gz MWSXRRJFGWKQHQ-RISCZKNCSA-N 1 0 261.394 2.394 10 0 CEAERO C[C@H]([NH2+][C@H]1CSCCC1(C)C)c1nnc2n1CCC2 ZINC000094483067 184808980 /nfs/dbraw/zinc/80/89/80/184808980.db2.gz IHAFQSMJBCICSB-QWRGUYRKSA-N 1 0 280.441 2.407 10 0 CEAERO C[C@@H]([NH3+])c1nc(-c2nc([C@@H]3CSCCO3)no2)cs1 ZINC000094501430 184810845 /nfs/dbraw/zinc/81/08/45/184810845.db2.gz SEOUNZXFCARWIL-SVRRBLITSA-N 1 0 298.393 2.017 10 0 CEAERO C[C@@H]1C[C@@H]([NH3+])CN(C(=O)c2cc3c(s2)CCCC3)C1 ZINC000094549212 184815657 /nfs/dbraw/zinc/81/56/57/184815657.db2.gz FQZLENVSUJODGA-ZYHUDNBSSA-N 1 0 278.421 2.436 10 0 CEAERO CC(C)c1cccc(NC(=O)CN2C[C@H]([NH3+])C[C@H](C)C2)c1 ZINC000094550970 184817127 /nfs/dbraw/zinc/81/71/27/184817127.db2.gz WHEPSFZEDYTWMZ-DZGCQCFKSA-N 1 0 289.423 2.418 10 0 CEAERO CC[NH2+][C@H](CSCC)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094642450 184832174 /nfs/dbraw/zinc/83/21/74/184832174.db2.gz MTEBSGHZQAWDAW-RWMBFGLXSA-N 1 0 293.498 2.321 10 0 CEAERO C[NH2+][C@@H](c1cc(OC)cc(OC)c1)[C@H]1CCOC1 ZINC000094651313 184835159 /nfs/dbraw/zinc/83/51/59/184835159.db2.gz AJEOOQHKJIJVDE-IINYFYTJSA-N 1 0 251.326 2.001 10 0 CEAERO COc1ccc(NC(=O)[C@H](C[NH3+])CC(C)C)cc1F ZINC000094697091 184841452 /nfs/dbraw/zinc/84/14/52/184841452.db2.gz RSPRUVUORMOZOS-JTQLQIEISA-N 1 0 268.332 2.394 10 0 CEAERO Cc1noc(C)c1[C@H](C)NC(=O)[C@H](C[NH3+])CC(C)C ZINC000094700981 184842586 /nfs/dbraw/zinc/84/25/86/184842586.db2.gz SFYFAGUKPXGWCY-CABZTGNLSA-N 1 0 267.373 2.090 10 0 CEAERO O=C(Cc1cccc(F)c1F)N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000094713530 184845490 /nfs/dbraw/zinc/84/54/90/184845490.db2.gz LAQZIGWTKVSALP-KBPBESRZSA-N 1 0 294.345 2.250 10 0 CEAERO Cc1cc(C)cc(CS(=O)(=O)[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000094719841 184846439 /nfs/dbraw/zinc/84/64/39/184846439.db2.gz OFSIJNCOAHBISC-OLZOCXBDSA-N 1 0 269.410 2.344 10 0 CEAERO CCOCCN(CC)c1cc([C@@H](C)[NH2+]C)ccn1 ZINC000094999876 184912010 /nfs/dbraw/zinc/91/20/10/184912010.db2.gz WRBUSHBONGGGMK-GFCCVEGCSA-N 1 0 251.374 2.225 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000095001885 184913745 /nfs/dbraw/zinc/91/37/45/184913745.db2.gz CGEIWEXGOWHUFK-WCQYABFASA-N 1 0 250.342 2.310 10 0 CEAERO CC[C@H]1CN(Cc2cccnc2OC)[C@H](C(C)C)C[NH2+]1 ZINC000095011420 184915109 /nfs/dbraw/zinc/91/51/09/184915109.db2.gz NPMNSNSULIJXQQ-GJZGRUSLSA-N 1 0 277.412 2.299 10 0 CEAERO CCN(C(=O)C[C@@H]1CCCCO1)C1CCC([NH3+])CC1 ZINC000095032648 184919101 /nfs/dbraw/zinc/91/91/01/184919101.db2.gz QPHMGFVDRQFVIS-RUXDESIVSA-N 1 0 268.401 2.064 10 0 CEAERO CCC[NH2+]C1CCC(NC(=O)C[C@H](C)COC)CC1 ZINC000095035523 184920516 /nfs/dbraw/zinc/92/05/16/184920516.db2.gz NSDUGMGTWPTJGD-HSBZDZAISA-N 1 0 270.417 2.086 10 0 CEAERO CCCN(C(=O)Cc1c(F)cccc1F)[C@@H]1CCC[NH2+]C1 ZINC000095046170 184923404 /nfs/dbraw/zinc/92/34/04/184923404.db2.gz CQNPRWKKGTTXAW-GFCCVEGCSA-N 1 0 296.361 2.498 10 0 CEAERO c1ccc2nc(O[C@@H]3CCC[NH2+]C3)c(NC3CC3)nc2c1 ZINC000095068061 184930560 /nfs/dbraw/zinc/93/05/60/184930560.db2.gz YZLIHMXAYPLJAP-GFCCVEGCSA-N 1 0 284.363 2.335 10 0 CEAERO O=[S@@](Cc1ccc(Cl)nc1)C[C@@H]1CCCC[NH2+]1 ZINC000095069897 184931940 /nfs/dbraw/zinc/93/19/40/184931940.db2.gz ZJXBCVSWCSNLTC-APPDUMDISA-N 1 0 272.801 2.126 10 0 CEAERO CN(Cc1cnc(Cl)nc1Cl)C[C@H]1CCCC[NH2+]1 ZINC000095070871 184932582 /nfs/dbraw/zinc/93/25/82/184932582.db2.gz KFRRYNCONXUCSY-SNVBAGLBSA-N 1 0 289.210 2.357 10 0 CEAERO O[C@@H]1C[NH2+]CCc2cc(OCc3ccccc3)ccc21 ZINC000095092881 184942135 /nfs/dbraw/zinc/94/21/35/184942135.db2.gz UUVXBJCXHHUPMC-QGZVFWFLSA-N 1 0 269.344 2.445 10 0 CEAERO NC(=[NH2+])CCN(c1ncnc2c1CCCCC2)C1CC1 ZINC000094887443 184887704 /nfs/dbraw/zinc/88/77/04/184887704.db2.gz OQFMBDWKSVOTTF-UHFFFAOYSA-N 1 0 273.384 2.040 10 0 CEAERO CC(C)Cc1ccc([C@@H](O)[C@]2(C[NH3+])CCOC2)cc1 ZINC000094905019 184890135 /nfs/dbraw/zinc/89/01/35/184890135.db2.gz LZEWRTZDMDTUTB-CVEARBPZSA-N 1 0 263.381 2.284 10 0 CEAERO CCC[C@]1(C(=O)N(C)Cc2cccc(C)n2)CC[NH2+]C1 ZINC000094915180 184892672 /nfs/dbraw/zinc/89/26/72/184892672.db2.gz WEFVXMSMUDGLLF-INIZCTEOSA-N 1 0 275.396 2.128 10 0 CEAERO Cc1cc(F)ccc1CCNC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000094955999 184903600 /nfs/dbraw/zinc/90/36/00/184903600.db2.gz SEMHTXBDUJIQQI-HUUCEWRRSA-N 1 0 278.371 2.310 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)c1ccc2c(c1)CCC2 ZINC000282121061 195511745 /nfs/dbraw/zinc/51/17/45/195511745.db2.gz AUFFQLYOZLRMNK-MQIPJXDCSA-N 1 0 272.392 2.493 10 0 CEAERO C[C@@H]([NH2+]Cc1cc[nH]n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400463039 533441760 /nfs/dbraw/zinc/44/17/60/533441760.db2.gz SBXOAEKWKVYHML-VXGBXAGGSA-N 1 0 294.399 2.145 10 0 CEAERO CSC[C@H](O)C[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000189903859 130037169 /nfs/dbraw/zinc/03/71/69/130037169.db2.gz WSDWWSRDAZTRSS-IUODEOHRSA-N 1 0 291.420 2.247 10 0 CEAERO CC(C)(C)OC[C@@H](O)C[NH+]1CCC(c2ccncc2)CC1 ZINC000191629343 130266411 /nfs/dbraw/zinc/26/64/11/130266411.db2.gz NLPXQMDCIGYCIK-INIZCTEOSA-N 1 0 292.423 2.437 10 0 CEAERO Cc1cccc(NC[C@@H]2CCN(Cc3cocn3)C2)[nH+]1 ZINC000191939262 130334173 /nfs/dbraw/zinc/33/41/73/130334173.db2.gz ZRVHUOUGAVPOFC-ZDUSSCGKSA-N 1 0 272.352 2.312 10 0 CEAERO c1nc2n(n1)C[C@H]([NH2+]CCSCc1ccccc1)CC2 ZINC000192576658 130472694 /nfs/dbraw/zinc/47/26/94/130472694.db2.gz DBEWPDLYRMAGSK-CQSZACIVSA-N 1 0 288.420 2.116 10 0 CEAERO Cc1cc(NC(=O)C2CC[NH2+]CC2)nn1-c1ccc(C)cc1 ZINC000237842006 131060722 /nfs/dbraw/zinc/06/07/22/131060722.db2.gz PEXWXMUDAWMGHM-UHFFFAOYSA-N 1 0 298.390 2.427 10 0 CEAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1ccc2c(c1)OCO2 ZINC000249303028 131121505 /nfs/dbraw/zinc/12/15/05/131121505.db2.gz FFHTYHKGWWAFIQ-WCFLWFBJSA-N 1 0 263.337 2.369 10 0 CEAERO C[C@@H]1CN(Cc2cnc(Cl)s2)C[C@H]1[NH+](C)C ZINC000251532439 131129356 /nfs/dbraw/zinc/12/93/56/131129356.db2.gz AKCIBVJQJMRQLY-PSASIEDQSA-N 1 0 259.806 2.178 10 0 CEAERO C[C@H]([NH2+]C[C@H]1CCC[C@H]1O)c1ccc2c(c1)OCCO2 ZINC000251562459 131129427 /nfs/dbraw/zinc/12/94/27/131129427.db2.gz SOWIXZNCIADWNF-IACUBPJLSA-N 1 0 277.364 2.269 10 0 CEAERO C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H]1CCCC[C@H]1O ZINC000252697495 131137040 /nfs/dbraw/zinc/13/70/40/131137040.db2.gz HTOQHFSAANDPEV-XNRPHZJLSA-N 1 0 263.381 2.464 10 0 CEAERO CCC[C@@](C)([NH3+])C(=O)Nc1cccc(C[S@](C)=O)c1C ZINC000262646662 131246313 /nfs/dbraw/zinc/24/63/13/131246313.db2.gz SEXHYXUDIAKBDJ-QRWLVFNGSA-N 1 0 296.436 2.330 10 0 CEAERO CC(C)(C)[C@H](C[NH3+])N1CCN(c2ccccc2F)CC1 ZINC000041121153 134877236 /nfs/dbraw/zinc/87/72/36/134877236.db2.gz OESFZNRIPTUBIC-HNNXBMFYSA-N 1 0 279.403 2.321 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCCN1c1ccc(F)c(F)c1F ZINC000071037818 134956959 /nfs/dbraw/zinc/95/69/59/134956959.db2.gz AOHVAZWFTSURMH-SNVBAGLBSA-N 1 0 284.281 2.351 10 0 CEAERO [NH3+][C@H]1CCCN(c2ccc(Br)c(F)c2)C1=O ZINC000083826878 135031287 /nfs/dbraw/zinc/03/12/87/135031287.db2.gz GEQKWPGPCKPUPK-JTQLQIEISA-N 1 0 287.132 2.042 10 0 CEAERO c1cnc2ccc(N3CC[NH2+][C@H](C4CC4)C3)cc2c1 ZINC000086147731 135039284 /nfs/dbraw/zinc/03/92/84/135039284.db2.gz HURJZADVVXQWLQ-INIZCTEOSA-N 1 0 253.349 2.423 10 0 CEAERO CC(C)(C[NH3+])CCN1c2cc(F)ccc2CCC1=O ZINC000087590788 135050797 /nfs/dbraw/zinc/05/07/97/135050797.db2.gz ITIJCWBZYCNEBU-UHFFFAOYSA-N 1 0 264.344 2.480 10 0 CEAERO CCOCOc1ccc(F)cc1N1CCC[C@@H]([NH3+])C1 ZINC000087888996 135052205 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CSCCC[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152181275 394989445 /nfs/dbraw/zinc/98/94/45/394989445.db2.gz AVWWMUTWFJIWGG-ZDUSSCGKSA-N 1 0 252.383 2.288 10 0 CEAERO Cc1cnc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@H]2O)o1 ZINC000374175921 395075829 /nfs/dbraw/zinc/07/58/29/395075829.db2.gz URZXIFJDTJWOEA-MGPQQGTHSA-N 1 0 264.369 2.499 10 0 CEAERO CCC(CC)NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000172236474 395101763 /nfs/dbraw/zinc/10/17/63/395101763.db2.gz POBYLCGZACHLCV-WCQYABFASA-N 1 0 253.390 2.053 10 0 CEAERO CC(C)OCc1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000423953158 395033738 /nfs/dbraw/zinc/03/37/38/395033738.db2.gz NHQKOIAUGFOANE-DOMZBBRYSA-N 1 0 276.380 2.031 10 0 CEAERO C[C@]1(O)CCCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ncccn1 ZINC000346699194 395104610 /nfs/dbraw/zinc/10/46/10/395104610.db2.gz CAQUGRVXEUTZFK-FMKPAKJESA-N 1 0 275.396 2.382 10 0 CEAERO CCc1c(Cl)nc(C)nc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172757277 395106665 /nfs/dbraw/zinc/10/66/65/395106665.db2.gz WPZZGUMMUCVJCZ-LLVKDONJSA-N 1 0 280.803 2.285 10 0 CEAERO C[C@@H]([NH3+])CCNC(=O)[C@@H](C)CCc1ccccc1F ZINC000178631686 395170742 /nfs/dbraw/zinc/17/07/42/395170742.db2.gz PXZAHWZYZJUIQG-NWDGAFQWSA-N 1 0 266.360 2.248 10 0 CEAERO CCn1cncc1C[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000418036655 395178121 /nfs/dbraw/zinc/17/81/21/395178121.db2.gz FVDLBQOURKZARR-CLLJXQQHSA-N 1 0 251.374 2.196 10 0 CEAERO COc1ccc(Br)c(CNC[C@@H]2CC[NH2+]C2)c1 ZINC000398276110 395232506 /nfs/dbraw/zinc/23/25/06/395232506.db2.gz AXZIKGXFKQVLOQ-SNVBAGLBSA-N 1 0 299.212 2.157 10 0 CEAERO CCC(O)(CC)C[N@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000182287928 395239043 /nfs/dbraw/zinc/23/90/43/395239043.db2.gz RTZJLBJTQRAFHO-MRXNPFEDSA-N 1 0 295.423 2.047 10 0 CEAERO C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCN(CCO)C2)CC1 ZINC000384427461 395193753 /nfs/dbraw/zinc/19/37/53/395193753.db2.gz DMLSVNXABDJBNF-KFWWJZLASA-N 1 0 254.418 2.002 10 0 CEAERO COc1ccc([C@H](C)[NH2+][C@H]2CCc3ncnn3C2)cc1F ZINC000180605803 395205197 /nfs/dbraw/zinc/20/51/97/395205197.db2.gz PKVJOEHKPROTOR-JQWIXIFHSA-N 1 0 290.342 2.091 10 0 CEAERO C[C@H](N[C@H]1CCC[NH2+][C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000396553587 395216182 /nfs/dbraw/zinc/21/61/82/395216182.db2.gz PUICNQCOHVQZQU-SCRDCRAPSA-N 1 0 276.380 2.249 10 0 CEAERO COc1cc(C)nc(C[N@@H+]2CC[C@H](O)CC(C)(C)C2)c1 ZINC000295210674 395290486 /nfs/dbraw/zinc/29/04/86/395290486.db2.gz LMRVYTLYXDSAQK-AWEZNQCLSA-N 1 0 278.396 2.382 10 0 CEAERO Cc1cc([C@H](C)[NH2+]C[C@@H]2CN(C)CCO2)cs1 ZINC000294212906 395269132 /nfs/dbraw/zinc/26/91/32/395269132.db2.gz MRZAOLDPFSFYEM-WCQYABFASA-N 1 0 254.399 2.038 10 0 CEAERO Cc1cc([C@@H](C)[NH2+]C[C@H]2CN(C)CCO2)cs1 ZINC000294212909 395269713 /nfs/dbraw/zinc/26/97/13/395269713.db2.gz MRZAOLDPFSFYEM-YPMHNXCESA-N 1 0 254.399 2.038 10 0 CEAERO CCC[C@H](C(=O)N1CCS[C@@H](C)CC1)[NH+](C)C ZINC000191351941 395355547 /nfs/dbraw/zinc/35/55/47/395355547.db2.gz NORMHLMFZSHGKM-NWDGAFQWSA-N 1 0 258.431 2.071 10 0 CEAERO CC(C)OC[C@H](O)C[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190952611 395344319 /nfs/dbraw/zinc/34/43/19/395344319.db2.gz OEXHUMOBXLRUMG-CQSZACIVSA-N 1 0 285.428 2.196 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)Oc2ccccc2)C1 ZINC000194633295 395444579 /nfs/dbraw/zinc/44/45/79/395444579.db2.gz YVMLLBSYTBQRCN-KGLIPLIRSA-N 1 0 276.380 2.054 10 0 CEAERO C[C@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000648023973 395809238 /nfs/dbraw/zinc/80/92/38/395809238.db2.gz SMGRMPLJCZUCPY-PTOFAABTSA-N 1 0 297.196 2.364 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)N1CCc2ccsc2C1 ZINC000646274455 396326064 /nfs/dbraw/zinc/32/60/64/396326064.db2.gz IFNMWRZTDAEJAO-LLVKDONJSA-N 1 0 252.383 2.006 10 0 CEAERO CN(Cc1cccc(F)c1)C(=O)C1CCC([NH3+])CC1 ZINC000037623382 400117704 /nfs/dbraw/zinc/11/77/04/400117704.db2.gz KEMZPVSNTCOMME-UHFFFAOYSA-N 1 0 264.344 2.302 10 0 CEAERO CC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000042372564 400132014 /nfs/dbraw/zinc/13/20/14/400132014.db2.gz CHSDQIKROKDXCA-GZMMTYOYSA-N 1 0 285.185 2.364 10 0 CEAERO CCS(=O)(=O)c1ccccc1NC[C@@H]1CCCC[NH2+]1 ZINC000044493535 400145272 /nfs/dbraw/zinc/14/52/72/400145272.db2.gz QUMSIHUEAOCTBG-LBPRGKRZSA-N 1 0 282.409 2.034 10 0 CEAERO NC1=[NH+]C[C@]2(CCC[C@@H]3C[C@@H]32)N1Cc1ccccc1 ZINC000306488000 400334269 /nfs/dbraw/zinc/33/42/69/400334269.db2.gz QYAQSEJFEJPNQQ-YCPHGPKFSA-N 1 0 255.365 2.376 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CC12CCCCC2 ZINC000387287517 400530703 /nfs/dbraw/zinc/53/07/03/400530703.db2.gz NRGALLSQYJIDEN-RWMBFGLXSA-N 1 0 250.386 2.200 10 0 CEAERO O=C(CC[C@H]1CCC[NH2+]1)N1CCCc2ccccc21 ZINC000389151699 400536378 /nfs/dbraw/zinc/53/63/78/400536378.db2.gz VZKKYLQUEKLELG-CQSZACIVSA-N 1 0 258.365 2.498 10 0 CEAERO CC(C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000396997489 400556874 /nfs/dbraw/zinc/55/68/74/400556874.db2.gz JCMXEQJZMADFDW-RDBSUJKOSA-N 1 0 252.402 2.399 10 0 CEAERO Cc1ccc(O)c(C(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)c1 ZINC000083704040 292163847 /nfs/dbraw/zinc/16/38/47/292163847.db2.gz KLYIFARGOLCTJH-UONOGXRCSA-N 1 0 288.391 2.399 10 0 CEAERO Brc1cnccc1NCCC1CC[NH2+]CC1 ZINC000650310114 400867346 /nfs/dbraw/zinc/86/73/46/400867346.db2.gz MWRICCZYCRJPRU-UHFFFAOYSA-N 1 0 284.201 2.068 10 0 CEAERO CCOCCCC[NH2+][C@H]1C[C@H](OCC)C12CCOCC2 ZINC000186258495 286053933 /nfs/dbraw/zinc/05/39/33/286053933.db2.gz KWJZPOSLOUBGQU-GJZGRUSLSA-N 1 0 285.428 2.367 10 0 CEAERO C[C@@H]1CC[C@@H](C(=O)NC[C@@H](c2cccs2)[NH+](C)C)O1 ZINC000123174439 296630467 /nfs/dbraw/zinc/63/04/67/296630467.db2.gz KZCVNGPHFZADLA-WOPDTQHZSA-N 1 0 282.409 2.035 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000261591812 297800630 /nfs/dbraw/zinc/80/06/30/297800630.db2.gz MBSZAANACIYYCK-VPOLOUISSA-N 1 0 278.318 2.303 10 0 CEAERO CCC[C@H](C(=O)Nc1ccc(O)cc1OCC)[NH+](C)C ZINC000190977393 153151375 /nfs/dbraw/zinc/15/13/75/153151375.db2.gz QYYNUCFHXQMHGR-CYBMUJFWSA-N 1 0 280.368 2.460 10 0 CEAERO C[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000191865629 153192263 /nfs/dbraw/zinc/19/22/63/153192263.db2.gz RLUFVVXJODGILD-IHRRRGAJSA-N 1 0 284.444 2.284 10 0 CEAERO CC[C@@H](C(=O)OC(C)(C)C)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000192108518 153202294 /nfs/dbraw/zinc/20/22/94/153202294.db2.gz ZUXARIZNKXZBGB-KGLIPLIRSA-N 1 0 282.428 2.277 10 0 CEAERO O=C(CCc1cccs1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195040736 153269247 /nfs/dbraw/zinc/26/92/47/153269247.db2.gz XRRLAGWWKLLRGC-CYBMUJFWSA-N 1 0 278.421 2.377 10 0 CEAERO Cc1ccc(O[C@@H](C)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000195310646 153283563 /nfs/dbraw/zinc/28/35/63/153283563.db2.gz QFOSQABZDDDXLG-LSDHHAIUSA-N 1 0 288.391 2.069 10 0 CEAERO C[C@H](Cc1cccc(F)c1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195338783 153286223 /nfs/dbraw/zinc/28/62/23/153286223.db2.gz KIZGZGPOTCLALI-CZUORRHYSA-N 1 0 290.382 2.311 10 0 CEAERO Cc1csc([C@@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)n1 ZINC000195440587 153289317 /nfs/dbraw/zinc/28/93/17/153289317.db2.gz JIRAURKXTSPVKE-CYBMUJFWSA-N 1 0 293.436 2.253 10 0 CEAERO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195506518 153292943 /nfs/dbraw/zinc/29/29/43/153292943.db2.gz USQIWIQHDHIKHM-LBPRGKRZSA-N 1 0 290.411 2.036 10 0 CEAERO Cc1cnn(CC[NH2+]Cc2ccc(Br)cn2)c1 ZINC000226085716 153331119 /nfs/dbraw/zinc/33/11/19/153331119.db2.gz AXYWNWQJZKPRMX-UHFFFAOYSA-N 1 0 295.184 2.139 10 0 CEAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1cnnn1C ZINC000227125850 153342437 /nfs/dbraw/zinc/34/24/37/153342437.db2.gz JNNTVHWEXZJSNG-XBFCOCLRSA-N 1 0 250.390 2.366 10 0 CEAERO OCC[C@H]1CC[N@H+](Cc2cc(Cl)cc3c2OCOC3)C1 ZINC000227566273 153346283 /nfs/dbraw/zinc/34/62/83/153346283.db2.gz JSRUGHJPPFPFLE-LLVKDONJSA-N 1 0 297.782 2.411 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]CCCCCO)c1C ZINC000228733872 153366180 /nfs/dbraw/zinc/36/61/80/153366180.db2.gz WNPASRJGQZGFEF-LLVKDONJSA-N 1 0 253.390 2.333 10 0 CEAERO C[C@@H](CCC[NH3+])Nc1nc(C(F)(F)F)ns1 ZINC000228811817 153367280 /nfs/dbraw/zinc/36/72/80/153367280.db2.gz ACSMZTCSBCTFSR-YFKPBYRVSA-N 1 0 254.281 2.096 10 0 CEAERO Cc1cnc([C@H](C)NCC(=O)NC2CCCCCC2)o1 ZINC000230643314 153394229 /nfs/dbraw/zinc/39/42/29/153394229.db2.gz HRSGNCHYHPVISC-LBPRGKRZSA-N 1 0 279.384 2.473 10 0 CEAERO CC[C@H]([NH3+])CNc1nccc(C)c1Br ZINC000234028972 153420700 /nfs/dbraw/zinc/42/07/00/153420700.db2.gz SABDAKQTRWKICW-QMMMGPOBSA-N 1 0 258.163 2.302 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]CC2(CCOC)CC2)C12CCOCC2 ZINC000186424079 286384271 /nfs/dbraw/zinc/38/42/71/286384271.db2.gz UMWLOKIBAJRVNC-LSDHHAIUSA-N 1 0 297.439 2.367 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccnc1 ZINC000247564891 153611898 /nfs/dbraw/zinc/61/18/98/153611898.db2.gz RDGSIPKECNSSSJ-KGLIPLIRSA-N 1 0 274.368 2.172 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2CO)C12CCC2 ZINC000224668479 286397506 /nfs/dbraw/zinc/39/75/06/286397506.db2.gz BQHDRLIFUIHWAF-APIJFGDWSA-N 1 0 267.413 2.475 10 0 CEAERO CC1(C)CN(C(=O)Cc2ccccc2Cl)CC[C@H]1[NH3+] ZINC000261658576 153801612 /nfs/dbraw/zinc/80/16/12/153801612.db2.gz YWMACMNRSFRUED-CYBMUJFWSA-N 1 0 280.799 2.468 10 0 CEAERO CCc1cc(CC)nc(N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000261694284 153812961 /nfs/dbraw/zinc/81/29/61/153812961.db2.gz HVYDMZNMXAJGCY-YIONKMFJSA-N 1 0 274.412 2.321 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)c1cc2cc(C)ccc2nc1C ZINC000261704440 153817063 /nfs/dbraw/zinc/81/70/63/153817063.db2.gz JLNRDRGFUQRVNQ-LLVKDONJSA-N 1 0 271.364 2.189 10 0 CEAERO C[NH2+][C@H]1CCCN(Cc2nc3ccc(F)cc3o2)C1 ZINC000261725127 153821396 /nfs/dbraw/zinc/82/13/96/153821396.db2.gz ITLYAYNQTSCSGL-NSHDSACASA-N 1 0 263.316 2.151 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1ccc(Cn2cccn2)cc1 ZINC000261803774 153844101 /nfs/dbraw/zinc/84/41/01/153844101.db2.gz RFYXKSBGHLYWFL-GDBMZVCRSA-N 1 0 298.390 2.245 10 0 CEAERO CC[C@@H](C)Oc1ccc(NC(=O)C2([NH3+])CCOCC2)cc1 ZINC000261840845 153853830 /nfs/dbraw/zinc/85/38/30/153853830.db2.gz LRGIJIPVTNNFTA-GFCCVEGCSA-N 1 0 292.379 2.310 10 0 CEAERO O=C([C@@H]1CCc2ccccc21)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261852790 153856930 /nfs/dbraw/zinc/85/69/30/153856930.db2.gz QPGBTHVAYHRXEB-HLLBOEOZSA-N 1 0 284.403 2.174 10 0 CEAERO c1cc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)cs1 ZINC000261925581 153881366 /nfs/dbraw/zinc/88/13/66/153881366.db2.gz LAMZDDDBZPYYEC-ZNMIVQPWSA-N 1 0 280.437 2.037 10 0 CEAERO CO[C@@H](C)c1cccc(NC(=O)[C@H](C)C2C[NH2+]C2)c1 ZINC000262169290 153920089 /nfs/dbraw/zinc/92/00/89/153920089.db2.gz JZRVXJPXJKWBNU-MNOVXSKESA-N 1 0 262.353 2.188 10 0 CEAERO C[C@H](C[NH3+])C(=O)N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000262313439 153937600 /nfs/dbraw/zinc/93/76/00/153937600.db2.gz CAILTYNLYONJRO-XLDPMVHQSA-N 1 0 270.735 2.046 10 0 CEAERO CC(C)[C@@H]1OCC[C@H]1CNC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000262624776 153968388 /nfs/dbraw/zinc/96/83/88/153968388.db2.gz KMHKRXCTLWYSLE-KMFMINBZSA-N 1 0 296.455 2.190 10 0 CEAERO Cc1cccc(-c2c[nH]c([C@H]3CCCN3CC[NH3+])n2)c1 ZINC000263081325 154014174 /nfs/dbraw/zinc/01/41/74/154014174.db2.gz XOUOMWJCQYELPJ-OAHLLOKOSA-N 1 0 270.380 2.481 10 0 CEAERO CN1CC[NH2+]C[C@H]1c1noc(-c2cc3ccccc3o2)n1 ZINC000263224172 154038836 /nfs/dbraw/zinc/03/88/36/154038836.db2.gz MNXFRLJQLDEYMV-NSHDSACASA-N 1 0 284.319 2.059 10 0 CEAERO C[C@@H]1CCC[C@H]1[NH2+]C1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263461919 154099250 /nfs/dbraw/zinc/09/92/50/154099250.db2.gz BXJCGZKGZKCPHX-GALLPEHLSA-N 1 0 280.412 2.092 10 0 CEAERO O=C([O-])C[N@H+](CC1CC1)C1CC(NCc2cccs2)C1 ZINC000263493336 154106646 /nfs/dbraw/zinc/10/66/46/154106646.db2.gz JBESQQJYANBRJR-UHFFFAOYSA-N 1 0 294.420 2.165 10 0 CEAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CCOC1CCC1 ZINC000376535252 157240780 /nfs/dbraw/zinc/24/07/80/157240780.db2.gz YHZONMZMGSOQBT-ZIAGYGMSSA-N 1 0 252.402 2.114 10 0 CEAERO Cc1oncc1C[N@H+]1CCC[C@H]1Cn1ccnc1C ZINC000128839288 162297889 /nfs/dbraw/zinc/29/78/89/162297889.db2.gz OUXYYSULXMQXTH-AWEZNQCLSA-N 1 0 260.341 2.153 10 0 CEAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)C1CCCCCC1 ZINC000150141371 162300834 /nfs/dbraw/zinc/30/08/34/162300834.db2.gz DYXKQUZKZNSCIH-DZGCQCFKSA-N 1 0 254.418 2.266 10 0 CEAERO Cc1cccc([C@@H](C)[NH2+][C@@H](C)CS(C)(=O)=O)c1 ZINC000160160454 162323471 /nfs/dbraw/zinc/32/34/71/162323471.db2.gz ZCJMJLFJMKCWBK-NWDGAFQWSA-N 1 0 255.383 2.079 10 0 CEAERO CC(C)N(Cc1cccs1)C(=O)[C@@H](C)C1C[NH2+]C1 ZINC000164447506 162334139 /nfs/dbraw/zinc/33/41/39/162334139.db2.gz HQUJEPQKLXRHRR-NSHDSACASA-N 1 0 266.410 2.341 10 0 CEAERO CSc1ccc(CN2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cc1 ZINC000170937514 162375236 /nfs/dbraw/zinc/37/52/36/162375236.db2.gz ZCFDHXIDGBGDKT-UONOGXRCSA-N 1 0 294.464 2.295 10 0 CEAERO CC[C@@H]([NH3+])[C@](O)(c1ccc(N(C)C)cc1)C(F)(F)F ZINC000062784254 522655183 /nfs/dbraw/zinc/65/51/83/522655183.db2.gz LPAFITSTTOZGJU-VXGBXAGGSA-N 1 0 276.302 2.240 10 0 CEAERO C[C@@H]([NH2+]C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400414604 287011251 /nfs/dbraw/zinc/01/12/51/287011251.db2.gz VARWBPFMFRXNNF-GHMZBOCLSA-N 1 0 254.374 2.384 10 0 CEAERO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](C)N1CCOCC1 ZINC000245697550 287036694 /nfs/dbraw/zinc/03/66/94/287036694.db2.gz LFPHJDICAAJBPJ-ZNMIVQPWSA-N 1 0 254.418 2.266 10 0 CEAERO O=C(NCC1=CC[NH2+]CC1)c1cccc2ccccc21 ZINC000169273632 165038849 /nfs/dbraw/zinc/03/88/49/165038849.db2.gz BNFVLRGEQBAMAA-UHFFFAOYSA-N 1 0 266.344 2.489 10 0 CEAERO CSCCC[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000173683263 165077268 /nfs/dbraw/zinc/07/72/68/165077268.db2.gz MIABPWDJRUIYHB-UHFFFAOYSA-N 1 0 296.484 2.032 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCSC ZINC000175072250 165123815 /nfs/dbraw/zinc/12/38/15/165123815.db2.gz SMQQVXZUBHKLKK-CHWSQXEVSA-N 1 0 285.457 2.008 10 0 CEAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)CCC2CCC2)CC1 ZINC000175419897 165133221 /nfs/dbraw/zinc/13/32/21/165133221.db2.gz ONUVJTUMQLKOOY-CQSZACIVSA-N 1 0 296.455 2.118 10 0 CEAERO CC(C)CC(C)(C)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000175385002 165134124 /nfs/dbraw/zinc/13/41/24/165134124.db2.gz IIMJENOOVNOMCG-CYBMUJFWSA-N 1 0 252.402 2.365 10 0 CEAERO C[C@@H]([NH2+]CCOCC(F)(F)C(F)(F)F)[C@H]1CCCO1 ZINC000175971565 165152471 /nfs/dbraw/zinc/15/24/71/165152471.db2.gz PXVGXQJAHSJEOW-RKDXNWHRSA-N 1 0 291.260 2.358 10 0 CEAERO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000178272376 165230519 /nfs/dbraw/zinc/23/05/19/165230519.db2.gz XHBGWYTYYLEXDO-ZDUSSCGKSA-N 1 0 269.348 2.245 10 0 CEAERO C[C@@H](C(=O)N1CC[C@H](C[NH3+])C1)c1cc2ccccc2o1 ZINC000178554192 165248990 /nfs/dbraw/zinc/24/89/90/165248990.db2.gz KGEKJWBPZUZFIL-VXGBXAGGSA-N 1 0 272.348 2.344 10 0 CEAERO CCc1nnc(CN2CCCC[C@H](SC)C2)n1C ZINC000179116862 165271783 /nfs/dbraw/zinc/27/17/83/165271783.db2.gz QDMLCNYVEIBOJB-NSHDSACASA-N 1 0 268.430 2.095 10 0 CEAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CC1=CCCOC1 ZINC000180131224 165302148 /nfs/dbraw/zinc/30/21/48/165302148.db2.gz DZKDBXCUHSWJMA-HNNXBMFYSA-N 1 0 261.369 2.003 10 0 CEAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccoc1)CC2 ZINC000180623841 165317043 /nfs/dbraw/zinc/31/70/43/165317043.db2.gz YWMZHWZMDWPVPS-JQWIXIFHSA-N 1 0 260.341 2.099 10 0 CEAERO CC(C)c1nc2n(n1)C[C@H]([NH2+]C(C1CC1)C1CC1)CC2 ZINC000180651720 165317088 /nfs/dbraw/zinc/31/70/88/165317088.db2.gz PSDFRXGHKZZALQ-CYBMUJFWSA-N 1 0 274.412 2.495 10 0 CEAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)[C@@H](C)CC)CC2 ZINC000180623175 165318026 /nfs/dbraw/zinc/31/80/26/165318026.db2.gz LHVKFMNWUAVKIH-QJPTWQEYSA-N 1 0 250.390 2.180 10 0 CEAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](CC)C(C)C)CC2 ZINC000180628250 165318113 /nfs/dbraw/zinc/31/81/13/165318113.db2.gz QOIBEIVXBSJADV-RYUDHWBXSA-N 1 0 250.390 2.180 10 0 CEAERO Cc1oncc1C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000181712489 165352751 /nfs/dbraw/zinc/35/27/51/165352751.db2.gz WRBRWNRSKGMNHY-ZDUSSCGKSA-N 1 0 272.352 2.312 10 0 CEAERO c1cn(CCC[N@@H+]2CC[C@@H](CNc3ccccn3)C2)cn1 ZINC000183180384 165387566 /nfs/dbraw/zinc/38/75/66/165387566.db2.gz PSIKFOAWUSDEMQ-HNNXBMFYSA-N 1 0 285.395 2.102 10 0 CEAERO Cc1cc(C)n(CCC[NH2+]C[C@@H](O)c2ccccc2)n1 ZINC000002655057 169818889 /nfs/dbraw/zinc/81/88/89/169818889.db2.gz RWRSJPKZWHYFKM-MRXNPFEDSA-N 1 0 273.380 2.213 10 0 CEAERO CCCC[C@@H](C)/C=C1\C[N@@H+]2CCC[C@H]2[C@@](C)(O)[C@@H]1O ZINC000005821672 170143983 /nfs/dbraw/zinc/14/39/83/170143983.db2.gz LWXKAVPXEDNHLL-VRUXTKGDSA-N 1 0 267.413 2.329 10 0 in-vitro CEAERO COc1ccc([C@H]([NH3+])Cn2c3ccccc3oc2=O)cc1 ZINC000019277808 170770189 /nfs/dbraw/zinc/77/01/89/170770189.db2.gz CWSGFGXBBYUOAD-CYBMUJFWSA-N 1 0 284.315 2.303 10 0 CEAERO CC(C)CC[C@@](C)(C[NH3+])N1CCN(c2nccs2)CC1 ZINC000019482991 170810614 /nfs/dbraw/zinc/81/06/14/170810614.db2.gz KGMBDMNVDSUBNI-HNNXBMFYSA-N 1 0 296.484 2.419 10 0 CEAERO O=S(=O)(Nc1cccc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000019518991 170824778 /nfs/dbraw/zinc/82/47/78/170824778.db2.gz HEHIZZISWGGXTM-CYBMUJFWSA-N 1 0 290.388 2.334 10 0 CEAERO COc1ccccc1CNC[C@@H](C(C)C)[NH+](C)C ZINC000020145460 171031387 /nfs/dbraw/zinc/03/13/87/171031387.db2.gz QXGBAVKHGIILGD-AWEZNQCLSA-N 1 0 250.386 2.371 10 0 CEAERO [NH3+]CCN(Cc1ccccc1)C(=O)Cc1ccccc1 ZINC000020183622 171046556 /nfs/dbraw/zinc/04/65/56/171046556.db2.gz GXBPVJBACFKQRD-UHFFFAOYSA-N 1 0 268.360 2.217 10 0 CEAERO O=S(=O)(CC[C@H]1CCCC[NH2+]1)c1ccc(F)cc1 ZINC000020183717 171046571 /nfs/dbraw/zinc/04/65/71/171046571.db2.gz XWPLKPLJGICYER-GFCCVEGCSA-N 1 0 271.357 2.132 10 0 CEAERO [NH3+]CCOc1cccc(NC(=O)Cc2cccs2)c1 ZINC000020224654 171087621 /nfs/dbraw/zinc/08/76/21/171087621.db2.gz UGVPUZBYEBOLBH-UHFFFAOYSA-N 1 0 276.361 2.267 10 0 CEAERO CN(CC(C)(C)C)[C@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000020226437 171091483 /nfs/dbraw/zinc/09/14/83/171091483.db2.gz OURZLXJNIPSRPA-GFCCVEGCSA-N 1 0 264.369 2.393 10 0 CEAERO [NH3+]CCCOc1ccc(C(=O)NC2CCCC2)cc1 ZINC000020228833 171093595 /nfs/dbraw/zinc/09/35/95/171093595.db2.gz GEXGKUZZIDDNNH-UHFFFAOYSA-N 1 0 262.353 2.087 10 0 CEAERO [NH3+][C@@H](CCN1CCOCC1)c1ccc(Br)cc1 ZINC000020273983 171130878 /nfs/dbraw/zinc/13/08/78/171130878.db2.gz DAOCCUAIYMYOLG-ZDUSSCGKSA-N 1 0 299.212 2.171 10 0 CEAERO CCNC(=O)[C@H](C)[NH2+]C[C@@H](c1ccccc1)N(CC)CC ZINC000020310122 171144258 /nfs/dbraw/zinc/14/42/58/171144258.db2.gz NJHNQXTWYIWHMO-HOCLYGCPSA-N 1 0 291.439 2.184 10 0 CEAERO CCN(Cc1ccccc1)c1cc(C(N)=[NH2+])ccn1 ZINC000020486479 171226054 /nfs/dbraw/zinc/22/60/54/171226054.db2.gz WNVHDPFFSAXLNG-UHFFFAOYSA-N 1 0 254.337 2.392 10 0 CEAERO CC(C)(C)OC[C@@H]([NH3+])c1ccc2c(c1)OCCO2 ZINC000020510755 171230574 /nfs/dbraw/zinc/23/05/74/171230574.db2.gz ILAZDGFOBLUZNW-LLVKDONJSA-N 1 0 251.326 2.273 10 0 CEAERO CC(C)[C@H](C)NS(=O)(=O)c1cccc([C@H](C)[NH3+])c1 ZINC000020523653 171235800 /nfs/dbraw/zinc/23/58/00/171235800.db2.gz NJLMCPAPWDQISR-QWRGUYRKSA-N 1 0 270.398 2.029 10 0 CEAERO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH3+])c(OC)c1OC ZINC000020594455 171263555 /nfs/dbraw/zinc/26/35/55/171263555.db2.gz HMVDXADTKUNJRS-FBIMIBRVSA-N 1 0 251.326 2.163 10 0 CEAERO CC[NH2+]Cc1ccccc1OCC(=O)NC(C)(C)C ZINC000020872406 171277090 /nfs/dbraw/zinc/27/70/90/171277090.db2.gz SAXKRJKUCHYMCH-UHFFFAOYSA-N 1 0 264.369 2.090 10 0 CEAERO C[C@@H]([NH2+]CC(N)=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000021954801 171341155 /nfs/dbraw/zinc/34/11/55/171341155.db2.gz KOCPQPDMCCOVEI-LLVKDONJSA-N 1 0 266.344 2.394 10 0 CEAERO COc1cccc(C(=O)Nc2cccc(C[NH3+])c2)c1 ZINC000022145428 171356372 /nfs/dbraw/zinc/35/63/72/171356372.db2.gz BLGOHNQBRAXRCK-UHFFFAOYSA-N 1 0 256.305 2.406 10 0 CEAERO C[C@@H](C(=O)Nc1c(Cl)cc(N)cc1Cl)[NH+](C)C ZINC000022168114 171366787 /nfs/dbraw/zinc/36/67/87/171366787.db2.gz FLLPOWRFJINUPQ-LURJTMIESA-N 1 0 276.167 2.464 10 0 CEAERO CC[C@@H]([NH3+])c1ccc(OCC(=O)N(CC)CC)cc1 ZINC000022175010 171369949 /nfs/dbraw/zinc/36/99/49/171369949.db2.gz ROQIOVOMKYNAJI-CQSZACIVSA-N 1 0 264.369 2.344 10 0 CEAERO C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)Nc1cccc(N)c1 ZINC000022221792 171378081 /nfs/dbraw/zinc/37/80/81/171378081.db2.gz YUMMHXZZQDRBQA-TXEJJXNPSA-N 1 0 261.369 2.470 10 0 CEAERO COc1ccc2cc([C@@H](C[NH3+])N3CCOCC3)ccc2c1 ZINC000022222508 171378963 /nfs/dbraw/zinc/37/89/63/171378963.db2.gz LOLNYXDDDVSHDS-QGZVFWFLSA-N 1 0 286.375 2.180 10 0 CEAERO CC(C)(C)c1ccc([C@H]([NH3+])CN2C(=O)CCC2=O)cc1 ZINC000022564479 171392004 /nfs/dbraw/zinc/39/20/04/171392004.db2.gz BYUNGNGABHEGGQ-CYBMUJFWSA-N 1 0 274.364 2.133 10 0 CEAERO C[C@H]1C[C@H]1C(=O)N(CCC[NH3+])c1ccc(F)cc1 ZINC000034959916 171905186 /nfs/dbraw/zinc/90/51/86/171905186.db2.gz HJJLDILQEONAFX-GXFFZTMASA-N 1 0 250.317 2.164 10 0 CEAERO CCOCCOc1ccc([C@H](C)[NH2+]C)cc1OC ZINC000035063524 171964292 /nfs/dbraw/zinc/96/42/92/171964292.db2.gz ATMVRNLHCVITET-NSHDSACASA-N 1 0 253.342 2.391 10 0 CEAERO CCC[NH2+]Cc1c(-n2cccn2)nc2sccn12 ZINC000035430353 172199100 /nfs/dbraw/zinc/19/91/00/172199100.db2.gz JPUOPAZUXIRXOI-UHFFFAOYSA-N 1 0 261.354 2.081 10 0 CEAERO CC[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1F ZINC000035555888 172262029 /nfs/dbraw/zinc/26/20/29/172262029.db2.gz ZLNUFFLDDFEOAH-CYBMUJFWSA-N 1 0 251.280 2.397 10 0 CEAERO CCC[NH2+][C@H](C)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000035632870 172315702 /nfs/dbraw/zinc/31/57/02/172315702.db2.gz GIDQUTUURDRQHP-LLVKDONJSA-N 1 0 282.409 2.188 10 0 CEAERO CC[NH2+][C@@H](C)c1ccccc1NC(=O)COCC ZINC000035643571 172321709 /nfs/dbraw/zinc/32/17/09/172321709.db2.gz CIINQSVYZYXHJD-NSHDSACASA-N 1 0 250.342 2.332 10 0 CEAERO CCCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C)cc1 ZINC000035644307 172322286 /nfs/dbraw/zinc/32/22/86/172322286.db2.gz RLTZPIZWNHWCNC-JTQLQIEISA-N 1 0 256.371 2.119 10 0 CEAERO CC(C)NC(=O)COc1c(Cl)cc(Cl)cc1C[NH3+] ZINC000035661834 172339567 /nfs/dbraw/zinc/33/95/67/172339567.db2.gz ZABBHQVFCKDGFZ-UHFFFAOYSA-N 1 0 291.178 2.356 10 0 CEAERO C[C@H](NC(=O)c1ccc(C[NH3+])cc1)c1cccnc1 ZINC000035691889 172360389 /nfs/dbraw/zinc/36/03/89/172360389.db2.gz UXISCRSWKLMVMP-NSHDSACASA-N 1 0 255.321 2.031 10 0 CEAERO CCC[NH2+][C@@H]1c2ccccc2S(=O)(=O)C[C@H]1C ZINC000035760567 172398772 /nfs/dbraw/zinc/39/87/72/172398772.db2.gz ISKFIMWZJJOQOG-MFKMUULPSA-N 1 0 253.367 2.151 10 0 CEAERO Cc1occc1C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000036681924 172652702 /nfs/dbraw/zinc/65/27/02/172652702.db2.gz BIURNOWQIJMTJI-UHFFFAOYSA-N 1 0 260.293 2.178 10 0 CEAERO CC(C)[C@@H](C)N(C)S(=O)(=O)c1cccc([C@@H](C)[NH3+])c1 ZINC000036788158 172706655 /nfs/dbraw/zinc/70/66/55/172706655.db2.gz SZPUOMWMCNEFRM-VXGBXAGGSA-N 1 0 284.425 2.371 10 0 CEAERO C[NH2+]C1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000036880935 172777245 /nfs/dbraw/zinc/77/72/45/172777245.db2.gz IPUQFAKIJPKDBV-UHFFFAOYSA-N 1 0 265.332 2.478 10 0 CEAERO CC[N@H+](Cc1ccc(C(N)=S)cc1F)C1CC1 ZINC000037080010 172936546 /nfs/dbraw/zinc/93/65/46/172936546.db2.gz NJRKIZSQCAUPPN-UHFFFAOYSA-N 1 0 252.358 2.444 10 0 CEAERO Cc1ccccc1[C@@H](C[NH3+])N(C)[C@@H]1CCSC1 ZINC000037174484 173008826 /nfs/dbraw/zinc/00/88/26/173008826.db2.gz VYPMANZPBUAJPD-TZMCWYRMSA-N 1 0 250.411 2.432 10 0 CEAERO CC(C)C(=O)NCC[NH2+][C@H]1CSCc2ccccc21 ZINC000037220194 173037842 /nfs/dbraw/zinc/03/78/42/173037842.db2.gz CTTYASBPFQLYED-AWEZNQCLSA-N 1 0 278.421 2.336 10 0 CEAERO C[C@H]([NH2+]CC(=O)N(C)C)c1ccc(F)c(Cl)c1 ZINC000037225308 173045697 /nfs/dbraw/zinc/04/56/97/173045697.db2.gz OFBPXQVCMWWOTI-QMMMGPOBSA-N 1 0 258.724 2.218 10 0 CEAERO Cn1cc(C[C@@H]([NH3+])c2nc3ccccc3s2)cn1 ZINC000037239338 173055820 /nfs/dbraw/zinc/05/58/20/173055820.db2.gz YXEXYYTYCDBVCW-SNVBAGLBSA-N 1 0 258.350 2.272 10 0 CEAERO Cc1ncsc1[C@H](C)[NH2+]CCCn1ccnc1 ZINC000037249484 173062385 /nfs/dbraw/zinc/06/23/85/173062385.db2.gz ATGRBOLBXPOHEJ-JTQLQIEISA-N 1 0 250.371 2.389 10 0 CEAERO CC[C@H]([NH2+][C@@H](C)C(N)=O)c1cccc(Br)c1 ZINC000037261418 173070850 /nfs/dbraw/zinc/07/08/50/173070850.db2.gz RMFQZYFQZZTOHW-KWQFWETISA-N 1 0 285.185 2.364 10 0 CEAERO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCC(N)=O ZINC000037262132 173071523 /nfs/dbraw/zinc/07/15/23/173071523.db2.gz PJFUWQRFUAYMJV-QMMMGPOBSA-N 1 0 269.414 2.275 10 0 CEAERO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCC(N)=O ZINC000037262131 173071526 /nfs/dbraw/zinc/07/15/26/173071526.db2.gz PJFUWQRFUAYMJV-MRVPVSSYSA-N 1 0 269.414 2.275 10 0 CEAERO COC(=O)C[C@H]([NH3+])c1c(OC)ccc2ccccc21 ZINC000037290030 173095573 /nfs/dbraw/zinc/09/55/73/173095573.db2.gz PTZQNDQLPQTMOF-LBPRGKRZSA-N 1 0 259.305 2.411 10 0 CEAERO CNC(=O)[C@H](CC(C)C)[NH2+][C@H](C)c1scnc1C ZINC000037320859 173120917 /nfs/dbraw/zinc/12/09/17/173120917.db2.gz QJBVOGRJJLRRKO-MNOVXSKESA-N 1 0 269.414 2.263 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)Nc1ccc(OC)cc1OC ZINC000037386483 173169971 /nfs/dbraw/zinc/16/99/71/173169971.db2.gz IBYOWCKPNCGSDJ-SNVBAGLBSA-N 1 0 266.341 2.030 10 0 CEAERO COc1cc(C[NH2+]Cc2ccncc2)cc2c1OCCO2 ZINC000037388185 173171701 /nfs/dbraw/zinc/17/17/01/173171701.db2.gz FKVQVFKRRZWXQA-UHFFFAOYSA-N 1 0 286.331 2.151 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000037388683 173172663 /nfs/dbraw/zinc/17/26/63/173172663.db2.gz YUHQRZCRZPYETO-BSTQEOMGSA-N 1 0 264.413 2.315 10 0 CEAERO Brc1ccc(COC2CC[NH2+]CC2)o1 ZINC000037390682 173173943 /nfs/dbraw/zinc/17/39/43/173173943.db2.gz FXIXORAPPOUNBU-UHFFFAOYSA-N 1 0 260.131 2.311 10 0 CEAERO CC(C)n1c2cccc(F)c2nc1[C@H]([NH3+])[C@@H](C)O ZINC000037442858 173212396 /nfs/dbraw/zinc/21/23/96/173212396.db2.gz OEECBZDARFRIMI-LDYMZIIASA-N 1 0 251.305 2.137 10 0 CEAERO C[C@@H](C(=O)c1ccccc1)[N@@H+]1CCCC[C@@H]1CCO ZINC000037488564 173231121 /nfs/dbraw/zinc/23/11/21/173231121.db2.gz CQNWIDOSZCNMKW-DZGCQCFKSA-N 1 0 261.365 2.495 10 0 CEAERO CC(C)[C@H]([NH2+]CCS(C)(=O)=O)c1cccs1 ZINC000037490506 173231694 /nfs/dbraw/zinc/23/16/94/173231694.db2.gz LFQNYNSOBDJRHN-NSHDSACASA-N 1 0 261.412 2.079 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)N(C)Cc1cccc(OC)c1OC ZINC000037493553 173233473 /nfs/dbraw/zinc/23/34/73/173233473.db2.gz FUOVJAWDZJASKQ-LBPRGKRZSA-N 1 0 294.395 2.050 10 0 CEAERO CCC[NH2+][C@](C)(C(N)=O)c1ccc(OC(C)C)cc1 ZINC000037513833 173245008 /nfs/dbraw/zinc/24/50/08/173245008.db2.gz JTWUPDQEBQTINQ-HNNXBMFYSA-N 1 0 264.369 2.174 10 0 CEAERO C[C@]([NH2+]C1CC1)(C(N)=O)c1ccccc1C(F)(F)F ZINC000037514617 173246113 /nfs/dbraw/zinc/24/61/13/173246113.db2.gz FAUSBEMYOHJVRL-GFCCVEGCSA-N 1 0 272.270 2.158 10 0 CEAERO CCCN(C(=O)c1ccccc1F)[C@@H]1CCC[NH2+]C1 ZINC000037541634 173263776 /nfs/dbraw/zinc/26/37/76/173263776.db2.gz GEICWDWAGYNADD-GFCCVEGCSA-N 1 0 264.344 2.430 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000037750119 173673138 /nfs/dbraw/zinc/67/31/38/173673138.db2.gz YZYMQNPMMJYIDW-NXEZZACHSA-N 1 0 266.307 2.175 10 0 CEAERO CCC(CC)N(CCOC)C(=O)CCC[NH2+]C(C)C ZINC000037812419 173759269 /nfs/dbraw/zinc/75/92/69/173759269.db2.gz DQFZFRMGUVZARP-UHFFFAOYSA-N 1 0 272.433 2.428 10 0 CEAERO Cc1ccc(CN(C(=O)[C@@H]2CCC[NH2+]2)C(C)C)o1 ZINC000037816978 173767061 /nfs/dbraw/zinc/76/70/61/173767061.db2.gz BQSFDEUNPHEAGG-ZDUSSCGKSA-N 1 0 250.342 2.077 10 0 CEAERO C[C@@H](c1cccs1)N(C)C(=O)[C@](C)([NH3+])C1CC1 ZINC000037821362 173774150 /nfs/dbraw/zinc/77/41/50/173774150.db2.gz CROVYXPCTCCXLN-TVQRCGJNSA-N 1 0 252.383 2.395 10 0 CEAERO Cc1cc(N(CC[NH3+])Cc2ccccc2)nc(C)n1 ZINC000038033120 174029707 /nfs/dbraw/zinc/02/97/07/174029707.db2.gz AZJCIFIBBMYVDY-UHFFFAOYSA-N 1 0 256.353 2.059 10 0 CEAERO CCc1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCCOC2)c1 ZINC000038045734 174053816 /nfs/dbraw/zinc/05/38/16/174053816.db2.gz CRSFBUCJKUYJIL-HZPDHXFCSA-N 1 0 293.407 2.005 10 0 CEAERO CCCn1c(C[NH2+]CCC(=O)OC)nc2ccccc21 ZINC000038046732 174055945 /nfs/dbraw/zinc/05/59/45/174055945.db2.gz ALOHLDPPIKFYDG-UHFFFAOYSA-N 1 0 275.352 2.099 10 0 CEAERO FC(F)(F)CN1CCC([NH2+]CC[C@@H]2CCCO2)CC1 ZINC000038096428 174110245 /nfs/dbraw/zinc/11/02/45/174110245.db2.gz XEZBSZNJJRFDGN-LBPRGKRZSA-N 1 0 280.334 2.172 10 0 CEAERO CCOCCn1c(C[NH2+]C)nc2ccc(Cl)cc21 ZINC000040405270 174254084 /nfs/dbraw/zinc/25/40/84/174254084.db2.gz RXALWWXPOGZNKA-UHFFFAOYSA-N 1 0 267.760 2.446 10 0 CEAERO COc1ccc(-c2nc(C[NH3+])cs2)cc1OC ZINC000040414615 174255472 /nfs/dbraw/zinc/25/54/72/174255472.db2.gz WLUOMPITQYERBL-UHFFFAOYSA-N 1 0 250.323 2.286 10 0 CEAERO CC(C)[C@H]([NH3+])C(=O)N1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000040467699 174276068 /nfs/dbraw/zinc/27/60/68/174276068.db2.gz ADVCXIYEAKSEAE-DGAVXFQQSA-N 1 0 252.402 2.397 10 0 CEAERO c1cnn(-c2ccccc2C[NH2+][C@@H]2CN3CCC2CC3)c1 ZINC000040495511 174294468 /nfs/dbraw/zinc/29/44/68/174294468.db2.gz ZGYFEMKNKPIKII-MRXNPFEDSA-N 1 0 282.391 2.056 10 0 CEAERO CCCO[C@H]1CCCN(C(=O)CCCCCC[NH3+])C1 ZINC000040501406 174297505 /nfs/dbraw/zinc/29/75/05/174297505.db2.gz HSCNAPSBZKEBEL-AWEZNQCLSA-N 1 0 270.417 2.313 10 0 CEAERO CCCO[C@H]1CCCN(C(=O)CC[NH2+]C(C)(C)C)C1 ZINC000040501393 174297557 /nfs/dbraw/zinc/29/75/57/174297557.db2.gz CFOBVAPTDXGRBX-ZDUSSCGKSA-N 1 0 270.417 2.182 10 0 CEAERO Cc1cc(C)c(C(N)=S)c(NCc2ccncc2)[nH+]1 ZINC000040510184 174303842 /nfs/dbraw/zinc/30/38/42/174303842.db2.gz XEWLHEACIYLOCY-UHFFFAOYSA-N 1 0 272.377 2.340 10 0 CEAERO Cc1cc(C)c(C[NH3+])c(-n2cc(Br)cn2)n1 ZINC000040509562 174304097 /nfs/dbraw/zinc/30/40/97/174304097.db2.gz LJZOMQQKVCDSPJ-UHFFFAOYSA-N 1 0 281.157 2.105 10 0 CEAERO Cc1cc(C)c(C[NH3+])c(N(C)CCc2ccncc2)n1 ZINC000040509536 174304145 /nfs/dbraw/zinc/30/41/45/174304145.db2.gz MKHANSXRPUPMAW-UHFFFAOYSA-N 1 0 270.380 2.231 10 0 CEAERO Cc1cc(C)c(C(N)=[NH2+])c(N(C)Cc2ccncc2)n1 ZINC000040515110 174306577 /nfs/dbraw/zinc/30/65/77/174306577.db2.gz ZFYVHBHFHKCAAQ-UHFFFAOYSA-N 1 0 269.352 2.014 10 0 CEAERO Cc1nc(C)c([C@H](C)NC(=O)[C@](C)([NH3+])C2CC2)s1 ZINC000040519119 174308741 /nfs/dbraw/zinc/30/87/41/174308741.db2.gz OEQYYMLWZUAYLH-ISVAXAHUSA-N 1 0 267.398 2.065 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H](C)c1sc(C)nc1C ZINC000040519059 174308868 /nfs/dbraw/zinc/30/88/68/174308868.db2.gz BFHLVTYFJPKOKD-OVYXKVPISA-N 1 0 269.414 2.311 10 0 CEAERO CCC[C@](C)([NH3+])C(=O)NCc1cc2c(s1)CCC2 ZINC000040628134 174356909 /nfs/dbraw/zinc/35/69/09/174356909.db2.gz HNRZMDUNLREDGA-AWEZNQCLSA-N 1 0 266.410 2.371 10 0 CEAERO CCOc1ccc(NC(=O)[C@@H]2C[C@H](OC)C[NH2+]2)cc1Cl ZINC000040634157 174360367 /nfs/dbraw/zinc/36/03/67/174360367.db2.gz BHTOZYJNKASDMG-JQWIXIFHSA-N 1 0 298.770 2.054 10 0 CEAERO CCCOc1cc(C)ccc1NC(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000040634292 174360608 /nfs/dbraw/zinc/36/06/08/174360608.db2.gz RLHFVSPWWPZNFU-TZMCWYRMSA-N 1 0 292.379 2.099 10 0 CEAERO COc1ccc(-c2nc([C@@H]3C[C@@H](OC)C[NH2+]3)[nH]c2C)cc1 ZINC000040637669 174361785 /nfs/dbraw/zinc/36/17/85/174361785.db2.gz IKNBBIZJPMEITQ-KGLIPLIRSA-N 1 0 287.363 2.443 10 0 CEAERO CO[C@H]1C[NH2+][C@H](c2nc(-c3ccc(F)cc3)c[nH]2)C1 ZINC000040637653 174362010 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CCOC1CC[NH+](C[C@@H]2CNc3ccccc3O2)CC1 ZINC000040690151 174376823 /nfs/dbraw/zinc/37/68/23/174376823.db2.gz WCJZIEVSNZWJPX-AWEZNQCLSA-N 1 0 276.380 2.360 10 0 CEAERO COC(=O)C1(Nc2cccc(Cl)c2)CC[NH2+]CC1 ZINC000040695312 174378236 /nfs/dbraw/zinc/37/82/36/174378236.db2.gz CWYGNJQKKFFZJK-UHFFFAOYSA-N 1 0 268.744 2.047 10 0 CEAERO CCOC(=O)C1(Nc2ccccc2Cl)CC[NH2+]CC1 ZINC000040695308 174378253 /nfs/dbraw/zinc/37/82/53/174378253.db2.gz XMCDBHHLOGNNRF-UHFFFAOYSA-N 1 0 282.771 2.437 10 0 CEAERO Cc1ccc(N)cc1NC(=O)CC[N@H+]1CC[C@@H](C)C1 ZINC000040716857 174384018 /nfs/dbraw/zinc/38/40/18/174384018.db2.gz HXZOWFVTWUUWAI-LLVKDONJSA-N 1 0 261.369 2.248 10 0 CEAERO Cc1nn(-c2ccccc2)c(N2CC[C@@H](C)C2)c1C[NH3+] ZINC000040723762 174385984 /nfs/dbraw/zinc/38/59/84/174385984.db2.gz GGMZTOQXZVENEW-GFCCVEGCSA-N 1 0 270.380 2.486 10 0 CEAERO Cc1cc(=O)n(C[C@@H]([NH3+])C23CC4CC(CC(C4)C2)C3)cn1 ZINC000040728172 174387679 /nfs/dbraw/zinc/38/76/79/174387679.db2.gz GHNLOUXMVKZGEU-UZZMVUAXSA-N 1 0 287.407 2.095 10 0 CEAERO Cc1cc(=O)n(C[C@@H]([NH3+])c2ccc(CC(C)C)cc2)cn1 ZINC000040728164 174387859 /nfs/dbraw/zinc/38/78/59/174387859.db2.gz NVMFBTPTGIWYFI-MRXNPFEDSA-N 1 0 285.391 2.450 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)CCC1CCCC1 ZINC000040749641 174394363 /nfs/dbraw/zinc/39/43/63/174394363.db2.gz OBLBHCYIXWFBDW-AGUYFDCRSA-N 1 0 250.386 2.438 10 0 CEAERO CN(C)Nc1[nH+]cnc(NCCC2=CCCCC2)c1N ZINC000040755944 174396029 /nfs/dbraw/zinc/39/60/29/174396029.db2.gz CZKCPKWCGCPNDR-UHFFFAOYSA-N 1 0 276.388 2.250 10 0 CEAERO Cc1c(N)cc(C(=O)NCC[NH+]2CCC(C)CC2)cc1F ZINC000040770913 174399918 /nfs/dbraw/zinc/39/99/18/174399918.db2.gz YQFIVUZXIUSMDX-UHFFFAOYSA-N 1 0 293.386 2.178 10 0 CEAERO CC(C)C[C@H]([NH3+])C(=O)N[C@H]1CCCc2occc21 ZINC000040831792 174413670 /nfs/dbraw/zinc/41/36/70/174413670.db2.gz ANKZLGPNJUWWSX-RYUDHWBXSA-N 1 0 250.342 2.147 10 0 CEAERO CC[NH2+][C@H]1c2cc(F)c(F)cc2[S@@](=O)C[C@@H]1C ZINC000040976662 174444708 /nfs/dbraw/zinc/44/47/08/174444708.db2.gz OYQRXMYHIFAONC-MNIMEWNKSA-N 1 0 259.321 2.373 10 0 CEAERO COc1ccc(C[N@@H+]2C[C@@H](C)C[C@H](O)C2)c(F)c1 ZINC000401779199 414754784 /nfs/dbraw/zinc/75/47/84/414754784.db2.gz AQAZRLZOVGBBEB-JQWIXIFHSA-N 1 0 253.317 2.037 10 0 CEAERO CCCCOC[C@H](O)C[N@@H+]1C[C@H](CC)OC[C@H]1CC ZINC000403727651 414767870 /nfs/dbraw/zinc/76/78/70/414767870.db2.gz ACFVZHCZQPVMKA-KFWWJZLASA-N 1 0 273.417 2.053 10 0 CEAERO C[NH2+]C[C@@H]1CCCN(c2nc(C)cc(C(C)C)n2)C1 ZINC000122550293 414789161 /nfs/dbraw/zinc/78/91/61/414789161.db2.gz FEHXDXDDJURXKZ-ZDUSSCGKSA-N 1 0 262.401 2.344 10 0 CEAERO [NH3+]CCCCC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000070202142 414769978 /nfs/dbraw/zinc/76/99/78/414769978.db2.gz OBXICVQIQFJBPD-ZJUUUORDSA-N 1 0 266.307 2.353 10 0 CEAERO CC[C@@H]1C[N@H+](C[C@@H](O)COCc2ccccc2)[C@@H](C)CO1 ZINC000403847872 414769987 /nfs/dbraw/zinc/76/99/87/414769987.db2.gz RXOIKLHCIBPNBA-USXIJHARSA-N 1 0 293.407 2.063 10 0 CEAERO COc1cccc(NC(=O)N[C@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000041093209 174478151 /nfs/dbraw/zinc/47/81/51/174478151.db2.gz XUFWTOJQACQLIX-BXUZGUMPSA-N 1 0 277.368 2.347 10 0 CEAERO C[C@@H]1CCCC[C@@H]1NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247376878 287293040 /nfs/dbraw/zinc/29/30/40/287293040.db2.gz FWNSEZFAYKHNIW-RDBSUJKOSA-N 1 0 265.401 2.055 10 0 CEAERO [NH3+]CCN(C(=O)NC12CC3CC(CC(C3)C1)C2)C1CC1 ZINC000041160877 174503200 /nfs/dbraw/zinc/50/32/00/174503200.db2.gz JNZWIQIXEHUROK-UHFFFAOYSA-N 1 0 277.412 2.088 10 0 CEAERO [NH3+]CC[C@@H](O)CCOc1cc(Cl)ccc1Cl ZINC000041357914 174535516 /nfs/dbraw/zinc/53/55/16/174535516.db2.gz OONJLQVETLMTJG-SECBINFHSA-N 1 0 264.152 2.472 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N1CCc2ccccc2[C@H](C)C1 ZINC000404884575 414791192 /nfs/dbraw/zinc/79/11/92/414791192.db2.gz DJMXVZSMUWGOSV-DOMZBBRYSA-N 1 0 260.381 2.302 10 0 CEAERO CC[C@@H]1CN(c2ccc(S(=O)(=O)CC)cc2)CC[C@@H]1[NH3+] ZINC000122921947 414792401 /nfs/dbraw/zinc/79/24/01/414792401.db2.gz LQXLWWDPHABIIE-DOMZBBRYSA-N 1 0 296.436 2.044 10 0 CEAERO Cc1ccsc1C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662975043 414814484 /nfs/dbraw/zinc/81/44/84/414814484.db2.gz DRGKWWMTUNFPMU-ZETCQYMHSA-N 1 0 266.288 2.018 10 0 CEAERO Cc1ncc(C[NH2+][C@@H]2CCOc3ccccc32)n1C ZINC000657288392 414833346 /nfs/dbraw/zinc/83/33/46/414833346.db2.gz AFYAQGKYUSDPAY-CQSZACIVSA-N 1 0 257.337 2.342 10 0 CEAERO CCOCCNC(=O)Nc1cccc([C@H](C)[NH2+]C)c1 ZINC000041707747 174610754 /nfs/dbraw/zinc/61/07/54/174610754.db2.gz PJZPATIGMDUKGR-NSHDSACASA-N 1 0 265.357 2.125 10 0 CEAERO CCCNC(=O)CCn1ccc2c1CC(C)(C)C[C@@H]2[NH3+] ZINC000041722513 174618158 /nfs/dbraw/zinc/61/81/58/174618158.db2.gz XOELMVWPDVAFNN-ZDUSSCGKSA-N 1 0 277.412 2.377 10 0 CEAERO Cn1cc(Cn2ccc3c2CC(C)(C)C[C@@H]3[NH3+])cn1 ZINC000041735446 174620667 /nfs/dbraw/zinc/62/06/67/174620667.db2.gz OVLWSZSYQNBHAQ-ZDUSSCGKSA-N 1 0 258.369 2.242 10 0 CEAERO CCCC1(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CC1 ZINC000653104621 414908496 /nfs/dbraw/zinc/90/84/96/414908496.db2.gz MYAUQKYGNXHMCP-NXEZZACHSA-N 1 0 278.318 2.081 10 0 CEAERO Cc1cc(F)cc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)c1 ZINC000653147960 414926974 /nfs/dbraw/zinc/92/69/74/414926974.db2.gz IDAYFZTXWIHYTP-GHMZBOCLSA-N 1 0 290.260 2.471 10 0 CEAERO CN1CCO[C@@H](C[NH2+]C2CCC(C3CCC3)CC2)C1 ZINC000657350000 414876265 /nfs/dbraw/zinc/87/62/65/414876265.db2.gz XGZJKSNXMZPXNV-GPANFISMSA-N 1 0 266.429 2.266 10 0 CEAERO C[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653057504 414891600 /nfs/dbraw/zinc/89/16/00/414891600.db2.gz DZDMHCRAFZJCOG-ZDCRXTMVSA-N 1 0 278.318 2.079 10 0 CEAERO OC1(C[NH2+][C@H]2CC3CCC2CC3)CCSCC1 ZINC000660625677 414903698 /nfs/dbraw/zinc/90/36/98/414903698.db2.gz RGCGLQGNCDPGFY-BPCQOVAHSA-N 1 0 255.427 2.413 10 0 CEAERO COCCN([C@@H](C)C1CC1)[C@@H](CC[NH3+])C(F)(F)F ZINC000042614447 174826410 /nfs/dbraw/zinc/82/64/10/174826410.db2.gz RFYOONFLIKETME-ONGXEEELSA-N 1 0 268.323 2.013 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)n1cncn1 ZINC000042955807 174924208 /nfs/dbraw/zinc/92/42/08/174924208.db2.gz YHJBSCBTKDJOGC-NEPJUHHUSA-N 1 0 295.184 2.367 10 0 CEAERO CCOCCO[C@@H](c1ccc(OC)cc1)[C@@H](C)[NH3+] ZINC000042962953 174927942 /nfs/dbraw/zinc/92/79/42/174927942.db2.gz BMMXTGBRGOOHMS-BXUZGUMPSA-N 1 0 253.342 2.137 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1cccc(F)c1)N1CCOC(C)(C)C1 ZINC000042971994 174934735 /nfs/dbraw/zinc/93/47/35/174934735.db2.gz UVQYERWERLTWGM-BXUZGUMPSA-N 1 0 266.360 2.325 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1cccc(Cl)c1)N(CC(N)=O)C(C)C ZINC000043015989 174942987 /nfs/dbraw/zinc/94/29/87/174942987.db2.gz YTDKQBYPXQUVMG-UKRRQHHQSA-N 1 0 297.830 2.314 10 0 CEAERO [NH3+]C[C@@H](Sc1nc[nH]n1)c1cccc(Cl)c1 ZINC000043018956 174944495 /nfs/dbraw/zinc/94/44/95/174944495.db2.gz FNPBHFSMTKCKGM-SECBINFHSA-N 1 0 254.746 2.250 10 0 CEAERO C[C@@H]([NH3+])[C@@H](Sc1nc[nH]n1)c1ccccc1F ZINC000043049124 174957809 /nfs/dbraw/zinc/95/78/09/174957809.db2.gz HSYUKOMXLCCTOT-GMSGAONNSA-N 1 0 252.318 2.124 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccsc1)N(C)Cc1cnn(C)c1 ZINC000043123442 174976895 /nfs/dbraw/zinc/97/68/95/174976895.db2.gz ODOFLMVQPYEPEE-KGLIPLIRSA-N 1 0 278.425 2.392 10 0 CEAERO C[C@H]([NH3+])[C@H](Oc1cccc2cccnc21)c1cnn(C)c1 ZINC000043235448 174987198 /nfs/dbraw/zinc/98/71/98/174987198.db2.gz HNVSFIVYENUKMF-ZBEGNZNMSA-N 1 0 282.347 2.436 10 0 CEAERO C[C@@H]([NH3+])[C@@H](Oc1ccc2c(c1)CCC2)c1cnn(C)c1 ZINC000043235429 174987334 /nfs/dbraw/zinc/98/73/34/174987334.db2.gz NGYOURZOILQLIF-BDJLRTHQSA-N 1 0 271.364 2.376 10 0 CEAERO COc1cccc([C@@H](C[NH3+])n2ccc(C(F)(F)F)n2)c1 ZINC000043298053 174999272 /nfs/dbraw/zinc/99/92/72/174999272.db2.gz GLVUQRINWYZWEE-LLVKDONJSA-N 1 0 285.269 2.459 10 0 CEAERO CC(C)(C)c1ccc([C@@H]([NH3+])[C@H]2CCS(=O)(=O)C2)cc1 ZINC000043299992 175000791 /nfs/dbraw/zinc/00/07/91/175000791.db2.gz BEXQOPQVZFDAOO-GXTWGEPZSA-N 1 0 281.421 2.419 10 0 CEAERO CC[NH2+][C@@H](c1ccc(OCC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043300787 175001590 /nfs/dbraw/zinc/00/15/90/175001590.db2.gz DRIHAVOIFZVQPZ-ZFWWWQNUSA-N 1 0 297.420 2.171 10 0 CEAERO CCC[NH2+][C@@H](c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043301393 175002198 /nfs/dbraw/zinc/00/21/98/175002198.db2.gz IDIHXFJSUGHKSF-HIFRSBDPSA-N 1 0 297.420 2.171 10 0 CEAERO CCOC(=O)[C@H](NCC[NH+](C)C)c1cccc(C)c1C ZINC000043315737 175004782 /nfs/dbraw/zinc/00/47/82/175004782.db2.gz OSFBOGFPQPKKJH-OAHLLOKOSA-N 1 0 278.396 2.059 10 0 CEAERO COC(=O)c1ccc(Cl)c(N[C@H]2CCC[NH2+]C2)c1 ZINC000043326414 175008122 /nfs/dbraw/zinc/00/81/22/175008122.db2.gz BZIJPKBPZSHSSG-JTQLQIEISA-N 1 0 268.744 2.291 10 0 CEAERO FC(F)(F)CO[C@H]1CCC[C@@H]([NH2+][C@@H]2CCCNC2)C1 ZINC000043326962 175008864 /nfs/dbraw/zinc/00/88/64/175008864.db2.gz PDPFFFYNZBEROV-UTUOFQBUSA-N 1 0 280.334 2.218 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccco1)N(CCOC)C1CC1 ZINC000043335869 175011183 /nfs/dbraw/zinc/01/11/83/175011183.db2.gz JCCZPOOGWGARDY-JSGCOSHPSA-N 1 0 252.358 2.169 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccco1)N(CCCOC)CCOC ZINC000043335997 175012070 /nfs/dbraw/zinc/01/20/70/175012070.db2.gz KTSAHNWWLKCUCD-DZGCQCFKSA-N 1 0 284.400 2.043 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1ccco1)N(C)Cc1cscn1 ZINC000043336326 175012533 /nfs/dbraw/zinc/01/25/33/175012533.db2.gz DMJRLPVFSJACRK-SKDRFNHKSA-N 1 0 251.355 2.256 10 0 CEAERO [NH3+]C[C@H](OCc1ccc2c(c1)OCO2)c1ccco1 ZINC000043337226 175012591 /nfs/dbraw/zinc/01/25/91/175012591.db2.gz ZELFLGIPHWAUHE-AWEZNQCLSA-N 1 0 261.277 2.225 10 0 CEAERO C[C@H]([NH3+])[C@H](OCCc1ccccn1)c1ccccn1 ZINC000043343533 175015979 /nfs/dbraw/zinc/01/59/79/175015979.db2.gz QRBUCGQNBSSNEK-WFASDCNBSA-N 1 0 257.337 2.124 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1cccnc1)N(C)CCc1ccncc1 ZINC000043347078 175017333 /nfs/dbraw/zinc/01/73/33/175017333.db2.gz GQLMYMVAWNWVFO-BBRMVZONSA-N 1 0 270.380 2.039 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cccnc1)N(C)Cc1cccnc1 ZINC000043346472 175017572 /nfs/dbraw/zinc/01/75/72/175017572.db2.gz AEYJJGJGSRMCHC-CVEARBPZSA-N 1 0 270.380 2.387 10 0 CEAERO C[C@H]([NH3+])[C@H](c1cccnc1)N(C)Cc1cscn1 ZINC000043348657 175018362 /nfs/dbraw/zinc/01/83/62/175018362.db2.gz WMWJPUGUYGJFAW-GXFFZTMASA-N 1 0 262.382 2.058 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1cccnc1)n1cc(Br)cn1 ZINC000043348926 175019156 /nfs/dbraw/zinc/01/91/56/175019156.db2.gz ZZVOMHDXRCXQOU-VXGBXAGGSA-N 1 0 295.184 2.367 10 0 CEAERO CCc1c(C)nn([C@H](c2cccnc2)[C@H](C)[NH3+])c1C ZINC000043348974 175019357 /nfs/dbraw/zinc/01/93/57/175019357.db2.gz SJMJQWWLODKBBU-BONVTDFDSA-N 1 0 258.369 2.394 10 0 CEAERO C[C@H]([NH3+])[C@@H](Sc1nncs1)c1cccnc1 ZINC000043352069 175019538 /nfs/dbraw/zinc/01/95/38/175019538.db2.gz MLBDKUXAZMJBES-IONNQARKSA-N 1 0 252.368 2.114 10 0 CEAERO CCC(CC)N(CCOC)[C@@H](C[NH3+])c1ccncc1 ZINC000043354725 175022606 /nfs/dbraw/zinc/02/26/06/175022606.db2.gz XBVKTZDHDZVQSK-HNNXBMFYSA-N 1 0 265.401 2.218 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccc(C)o1)N1CCOC[C@@H]1C ZINC000043364178 175024991 /nfs/dbraw/zinc/02/49/91/175024991.db2.gz YFYZDLWKUVLLJN-VHRBIJSZSA-N 1 0 252.358 2.087 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)N1CCOCC1(C)C ZINC000043364748 175025415 /nfs/dbraw/zinc/02/54/15/175025415.db2.gz IPKACPBMRDEUIQ-JSGCOSHPSA-N 1 0 266.385 2.477 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)N(C)CC(=O)N(CC)CC ZINC000043364923 175025706 /nfs/dbraw/zinc/02/57/06/175025706.db2.gz BRECNJVNDSREBQ-CJNGLKHVSA-N 1 0 295.427 2.167 10 0 CEAERO CCOC1CCN([C@@H](c2ccc(C)o2)[C@H](C)[NH3+])CC1 ZINC000043364574 175025764 /nfs/dbraw/zinc/02/57/64/175025764.db2.gz RFKZRUJECSQEGH-SWLSCSKDSA-N 1 0 266.385 2.477 10 0 CEAERO Cc1ccc([C@@H](Sc2n[nH]c(C)n2)[C@H](C)[NH3+])o1 ZINC000043367740 175027664 /nfs/dbraw/zinc/02/76/64/175027664.db2.gz ZOOWSYPNMNAIFD-XVKPBYJWSA-N 1 0 252.343 2.195 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](N(C)Cc1ccncc1)C(F)(F)F ZINC000043377314 175030290 /nfs/dbraw/zinc/03/02/90/175030290.db2.gz XIYHCXCQJPOPFL-GHMZBOCLSA-N 1 0 261.291 2.182 10 0 CEAERO CC[C@H]([NH3+])[C@H](N(C)C[C@@H]1CCCCO1)C(F)(F)F ZINC000043378351 175030587 /nfs/dbraw/zinc/03/05/87/175030587.db2.gz UQTLLOSNVRAMQB-DCAQKATOSA-N 1 0 268.323 2.156 10 0 CEAERO C[C@H]([NH3+])[C@H](n1ccc(C(F)(F)F)n1)C(F)(F)F ZINC000043383173 175031249 /nfs/dbraw/zinc/03/12/49/175031249.db2.gz DJLSWANBTJYBNB-NJGYIYPDSA-N 1 0 261.169 2.353 10 0 CEAERO COc1cccc(CO[C@H]([C@@H](C)[NH3+])C(F)(F)F)c1 ZINC000043384469 175031873 /nfs/dbraw/zinc/03/18/73/175031873.db2.gz QWSNCHUOBVHYEJ-LDYMZIIASA-N 1 0 263.259 2.490 10 0 CEAERO CCN(CCOC)[C@@H](C[NH3+])c1cc(C)cc(C)c1 ZINC000043394416 175034949 /nfs/dbraw/zinc/03/49/49/175034949.db2.gz LHMKNRMERAVGII-HNNXBMFYSA-N 1 0 250.386 2.272 10 0 CEAERO Cc1cc(C)cc([C@H](CN)[N@@H+](C)C2CCOCC2)c1 ZINC000043394191 175035113 /nfs/dbraw/zinc/03/51/13/175035113.db2.gz MOQPAOFPUAJJRA-INIZCTEOSA-N 1 0 262.397 2.414 10 0 CEAERO Brc1cnc2[nH]c([C@H]3CCC[NH2+]3)nc2c1 ZINC000043460869 175051543 /nfs/dbraw/zinc/05/15/43/175051543.db2.gz YOIXUHCFXOSABY-SSDOTTSWSA-N 1 0 267.130 2.145 10 0 CEAERO C[NH2+]CCC(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000043600253 175077762 /nfs/dbraw/zinc/07/77/62/175077762.db2.gz FWEYQORVJREBAK-VIFPVBQESA-N 1 0 285.185 2.236 10 0 CEAERO C[NH2+]CCC(=O)N[C@H](C)c1ccc(SC)cc1 ZINC000043603837 175077838 /nfs/dbraw/zinc/07/78/38/175077838.db2.gz RDTURDPGQBUTJL-SNVBAGLBSA-N 1 0 252.383 2.195 10 0 CEAERO Fc1cccc2c1nc([C@H]1C[NH2+]CCO1)n2C1CC1 ZINC000043705122 175099031 /nfs/dbraw/zinc/09/90/31/175099031.db2.gz KGOBEDOFSAHPTD-GFCCVEGCSA-N 1 0 261.300 2.171 10 0 CEAERO CC[NH2+][C@H]1CCOC[C@H]1N(CC)C1CCCCC1 ZINC000043804243 175107639 /nfs/dbraw/zinc/10/76/39/175107639.db2.gz DIWKAQBSIDNHJJ-LSDHHAIUSA-N 1 0 254.418 2.408 10 0 CEAERO CCN(CC)C[C@H]([NH2+]C)c1ccc2c(c1)OCCCO2 ZINC000043809019 175109815 /nfs/dbraw/zinc/10/98/15/175109815.db2.gz KHCLHSTXVFVUQY-AWEZNQCLSA-N 1 0 278.396 2.450 10 0 CEAERO C[NH2+][C@H](CN(C)C(C)C)c1ccc2c(c1)OCCCO2 ZINC000043813188 175111235 /nfs/dbraw/zinc/11/12/35/175111235.db2.gz ZDMIRVWZNJBUOK-CQSZACIVSA-N 1 0 278.396 2.449 10 0 CEAERO CCC[NH2+][C@H](CN(C)C)c1ccc2c(c1)OCCCO2 ZINC000043816273 175112642 /nfs/dbraw/zinc/11/26/42/175112642.db2.gz LJPKVJOKZJNTMJ-CQSZACIVSA-N 1 0 278.396 2.450 10 0 CEAERO CCC[NH2+][C@@H](CN(C)CC)c1ccc2c(c1)OCO2 ZINC000043820920 175113614 /nfs/dbraw/zinc/11/36/14/175113614.db2.gz SMQAAWYATDZDIK-ZDUSSCGKSA-N 1 0 264.369 2.408 10 0 CEAERO CC[NH2+][C@H]1CCC2(C[C@@H]1N(C)C1CCCC1)OCCO2 ZINC000043884039 175116424 /nfs/dbraw/zinc/11/64/24/175116424.db2.gz PWLOGUKLHURVJH-GJZGRUSLSA-N 1 0 282.428 2.135 10 0 CEAERO C[NH2+][C@@H](CN1CCC(OC)CC1)c1cc(C)ccc1OC ZINC000043890033 175117465 /nfs/dbraw/zinc/11/74/65/175117465.db2.gz GKVRJRGZFBFWSC-INIZCTEOSA-N 1 0 292.423 2.375 10 0 CEAERO CC[NH2+][C@H]1CCCCCC[C@H]1N1CCOC[C@@H]1C ZINC000043891420 175118105 /nfs/dbraw/zinc/11/81/05/175118105.db2.gz ZLRFXZBZZXBIHY-SOUVJXGZSA-N 1 0 254.418 2.408 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2OC[C@@H]1N(C)Cc1ccncc1 ZINC000043893951 175119093 /nfs/dbraw/zinc/11/90/93/175119093.db2.gz QYLWRZWLSOLVTC-DOTOQJQBSA-N 1 0 283.375 2.235 10 0 CEAERO CC[NH2+][C@@H]1CCCCC[C@@H]1N1CCOC(C)(C)C1 ZINC000043897815 175120409 /nfs/dbraw/zinc/12/04/09/175120409.db2.gz XMYCCVFHEJTVOC-KGLIPLIRSA-N 1 0 254.418 2.408 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2CC[C@H]1N(C)C1CCOCC1 ZINC000043898292 175121239 /nfs/dbraw/zinc/12/12/39/175121239.db2.gz DMNYNVWLQFGKDT-IAGOWNOFSA-N 1 0 274.408 2.373 10 0 CEAERO CC[NH2+][C@@H](CN(C)C1CCOCC1)c1ccccc1OC ZINC000043898376 175121403 /nfs/dbraw/zinc/12/14/03/175121403.db2.gz UCFONRAYXWOBJU-INIZCTEOSA-N 1 0 292.423 2.457 10 0 CEAERO C[NH2+][C@@H](c1ccc(OC)cc1)[C@H](C)N(C)C1CCOCC1 ZINC000043898229 175121514 /nfs/dbraw/zinc/12/15/14/175121514.db2.gz NIEITTJDYXMJLN-SUMWQHHRSA-N 1 0 292.423 2.455 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2OC[C@H]1N(C)C1CCOCC1 ZINC000043898476 175121525 /nfs/dbraw/zinc/12/15/25/175121525.db2.gz AHKAWXLESDMPEV-NVXWUHKLSA-N 1 0 290.407 2.209 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2C[C@H]1N1CCOC[C@@H]1CC ZINC000043899196 175121998 /nfs/dbraw/zinc/12/19/98/175121998.db2.gz NFPSIHDWSIKELN-UAGQMJEPSA-N 1 0 274.408 2.373 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2OC[C@H]1N(C)CC1CC1 ZINC000043906182 175122798 /nfs/dbraw/zinc/12/27/98/175122798.db2.gz ZBIOHOGMNYDLND-ZBFHGGJFSA-N 1 0 260.381 2.440 10 0 CEAERO C[NH2+][C@@H](CN1CCC[C@@H]1C)c1cc(OC)ccc1OC ZINC000043902556 175122814 /nfs/dbraw/zinc/12/28/14/175122814.db2.gz UCTPLSAZXIXRJP-WFASDCNBSA-N 1 0 278.396 2.449 10 0 CEAERO C[NH2+][C@@H](CN1CC[C@@H](C)C1)c1ccc(OC)c(OC)c1 ZINC000043908320 175123205 /nfs/dbraw/zinc/12/32/05/175123205.db2.gz JOEHJGWNOVOJJT-OCCSQVGLSA-N 1 0 278.396 2.306 10 0 CEAERO C[NH2+][C@@H](CN1CC[C@@H](C)C1)c1ccc2c(c1)OCCCO2 ZINC000043908288 175123295 /nfs/dbraw/zinc/12/32/95/175123295.db2.gz SYDQNEHBOGUJOG-HIFRSBDPSA-N 1 0 290.407 2.450 10 0 CEAERO CC[NH2+][C@@H](CN(CCOC)CCOC)c1ccc(C)cc1 ZINC000043912686 175124223 /nfs/dbraw/zinc/12/42/23/175124223.db2.gz UHBLGBOLLSZIFT-KRWDZBQOSA-N 1 0 294.439 2.240 10 0 CEAERO C[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)N(C)CCOC ZINC000043915447 175124866 /nfs/dbraw/zinc/12/48/66/175124866.db2.gz VHTZYKWLISNYGT-HIFRSBDPSA-N 1 0 250.386 2.222 10 0 CEAERO CCC[NH2+][C@@H]1c2ccccc2OC[C@H]1N(C)CCOC ZINC000043916485 175125699 /nfs/dbraw/zinc/12/56/99/175125699.db2.gz KNWLTGYDKZLYIJ-GDBMZVCRSA-N 1 0 278.396 2.067 10 0 CEAERO CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N1CCOCC1(C)C ZINC000043916939 175125876 /nfs/dbraw/zinc/12/58/76/175125876.db2.gz JMPMZWVBERGFMW-MJBXVCDLSA-N 1 0 254.418 2.264 10 0 CEAERO CCC[NH2+][C@H]1CCCC[C@@H]1N1CCOCC1(C)C ZINC000043965398 175126609 /nfs/dbraw/zinc/12/66/09/175126609.db2.gz QFVRYVADKMVUQU-KBPBESRZSA-N 1 0 254.418 2.408 10 0 CEAERO CC[NH2+][C@@H](CN(C)C[C@@H]1CCCO1)c1ccccc1 ZINC000043966015 175126918 /nfs/dbraw/zinc/12/69/18/175126918.db2.gz PEVZTEIBAPDBPG-HOTGVXAUSA-N 1 0 262.397 2.448 10 0 CEAERO CCN(C[C@H]([NH2+]C)c1ccc(OC)cc1)C[C@@H]1CCCO1 ZINC000043966783 175127802 /nfs/dbraw/zinc/12/78/02/175127802.db2.gz CRIHKQUWJBATQK-IRXDYDNUSA-N 1 0 292.423 2.457 10 0 CEAERO C[NH2+][C@H]1CCC2(C[C@H]1N(C)[C@@H]1CCC[C@@H](C)C1)OCCO2 ZINC000043968369 175129409 /nfs/dbraw/zinc/12/94/09/175129409.db2.gz IHBOMPDIUFPBQR-LVQVYYBASA-N 1 0 296.455 2.381 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2OC[C@@H]1N(C)[C@@H](C)COC ZINC000043969319 175130652 /nfs/dbraw/zinc/13/06/52/175130652.db2.gz RLHMJWQZQRIFSQ-NOLJZWGESA-N 1 0 278.396 2.065 10 0 CEAERO CCC[C@H]([NH2+]C)[C@H](CC)N(CCCOC)CCOC ZINC000043970915 175132117 /nfs/dbraw/zinc/13/21/17/175132117.db2.gz ROEQHZXISHVCCK-GJZGRUSLSA-N 1 0 274.449 2.138 10 0 CEAERO CC(C)[C@@H]([NH3+])[C@H](N)c1ccc(Br)cc1 ZINC000044138936 175146353 /nfs/dbraw/zinc/14/63/53/175146353.db2.gz FKHCYVRBONTCAI-GHMZBOCLSA-N 1 0 257.175 2.432 10 0 CEAERO CC[C@H]1CCCN1C(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000044427014 175174982 /nfs/dbraw/zinc/17/49/82/175174982.db2.gz NNQSJDBXEAMWQA-DZGCQCFKSA-N 1 0 258.365 2.274 10 0 CEAERO CC(C)(C)[C@@H]1CC[C@H]([NH3+])[C@H](CCS(C)(=O)=O)C1 ZINC000044469351 175177507 /nfs/dbraw/zinc/17/75/07/175177507.db2.gz UQMYEKFWPUBAGZ-UTUOFQBUSA-N 1 0 261.431 2.211 10 0 CEAERO Cn1ccnc1COc1ccc2c(c1)CCC[C@H]2[NH3+] ZINC000044732482 175241375 /nfs/dbraw/zinc/24/13/75/175241375.db2.gz SHTMZWLGVFCUAH-CQSZACIVSA-N 1 0 257.337 2.335 10 0 CEAERO [NH3+][C@H]1CCCc2cc(O[C@H]3CCCCNC3=O)ccc21 ZINC000044744980 175241575 /nfs/dbraw/zinc/24/15/75/175241575.db2.gz NOKQNDQBEWLDJG-GJZGRUSLSA-N 1 0 274.364 2.070 10 0 CEAERO CC(C)N(C)C(=O)COc1ccc2c(c1)CCC[C@H]2[NH3+] ZINC000044744988 175241663 /nfs/dbraw/zinc/24/16/63/175241663.db2.gz OQSUFHHUYXMUEF-OAHLLOKOSA-N 1 0 276.380 2.268 10 0 CEAERO Oc1ccc2c(c1)CCC[C@H]2[NH2+]CCn1cccn1 ZINC000044747504 175243074 /nfs/dbraw/zinc/24/30/74/175243074.db2.gz TXIHBCCIYPJSLB-OAHLLOKOSA-N 1 0 257.337 2.256 10 0 CEAERO CN(CC(F)(F)F)C(=O)C1(C[NH3+])CCCCCC1 ZINC000044763051 175247045 /nfs/dbraw/zinc/24/70/45/175247045.db2.gz FVTXOBSSWZLOFE-UHFFFAOYSA-N 1 0 266.307 2.306 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)N1CCCC[C@@H]1CCO ZINC000044795114 175254856 /nfs/dbraw/zinc/25/48/56/175254856.db2.gz ICNPPXGAMDHKBI-CQSZACIVSA-N 1 0 284.444 2.295 10 0 CEAERO CC(C)[C@H](C[NH3+])C(=O)Nc1ccc(F)c(F)c1F ZINC000044798379 175255195 /nfs/dbraw/zinc/25/51/95/175255195.db2.gz QKGKMIJNYUFMPA-ZETCQYMHSA-N 1 0 260.259 2.273 10 0 CEAERO CC[C@H]1CCCN(C(=O)[C@H](C[NH3+])Cc2ccccc2)C1 ZINC000044802129 175255842 /nfs/dbraw/zinc/25/58/42/175255842.db2.gz DZXRRBQPVYNBSC-HOCLYGCPSA-N 1 0 274.408 2.453 10 0 CEAERO CC[C@@H](C)N(CCOC)C(=O)[C@@H](C[NH3+])Cc1ccccc1 ZINC000044807647 175257216 /nfs/dbraw/zinc/25/72/16/175257216.db2.gz ABBHHUGVLICEPA-GDBMZVCRSA-N 1 0 292.423 2.078 10 0 CEAERO Cc1nccc(CNC(=O)Nc2ccc([C@H](C)[NH3+])cc2)n1 ZINC000044984725 175283853 /nfs/dbraw/zinc/28/38/53/175283853.db2.gz CPRUCVKZEWMKNZ-JTQLQIEISA-N 1 0 285.351 2.126 10 0 CEAERO CCC[N@H+](CC(N)=S)Cc1ccc(OC)c(OC)c1 ZINC000045093490 175307010 /nfs/dbraw/zinc/30/70/10/175307010.db2.gz UYZZYZGBULDBHP-UHFFFAOYSA-N 1 0 282.409 2.202 10 0 CEAERO CC(C)CCOCCNC(=O)CCCCCC[NH3+] ZINC000045109072 175309569 /nfs/dbraw/zinc/30/95/69/175309569.db2.gz SHWAEERDUCIEBX-UHFFFAOYSA-N 1 0 258.406 2.075 10 0 CEAERO C[C@H]([NH2+][C@H]1CC1(C)C)c1ccc2c(c1)NC(=O)CO2 ZINC000045116629 175311528 /nfs/dbraw/zinc/31/15/28/175311528.db2.gz UMKCSKOETFZFHV-ZANVPECISA-N 1 0 260.337 2.467 10 0 CEAERO CC[C@@H](C)[C@H]([NH3+])c1nc(-c2c(C)nn(C)c2C)c[nH]1 ZINC000045169384 175319709 /nfs/dbraw/zinc/31/97/09/175319709.db2.gz HSTYENFOOLZFKW-OQPBUACISA-N 1 0 261.373 2.473 10 0 CEAERO Cc1nn(C)c(C)c1[C@H](C)NC[C@@H](C(C)C)[NH+](C)C ZINC000045168595 175320034 /nfs/dbraw/zinc/32/00/34/175320034.db2.gz PQNKYVJELFKJTK-FZMZJTMJSA-N 1 0 266.433 2.274 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]C2CCN(C)CC2)c1C ZINC000045169629 175320574 /nfs/dbraw/zinc/32/05/74/175320574.db2.gz WIFYXWDTMOIFDP-LLVKDONJSA-N 1 0 264.417 2.265 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)N(C)C ZINC000045170063 175320666 /nfs/dbraw/zinc/32/06/66/175320666.db2.gz VVICQVMQGJTPRU-RISCZKNCSA-N 1 0 294.443 2.190 10 0 CEAERO Cc1nn(C)c(C)c1[C@H](C)[NH2+]CCN1CCC(C)CC1 ZINC000045172202 175321482 /nfs/dbraw/zinc/32/14/82/175321482.db2.gz XAZNWXIZWLJKEW-ZDUSSCGKSA-N 1 0 278.444 2.419 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+][C@@H]2CCCN(C)C2)c1C ZINC000045172148 175321909 /nfs/dbraw/zinc/32/19/09/175321909.db2.gz LFOAMOBFKJAJPJ-BXUZGUMPSA-N 1 0 264.417 2.265 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)[NH2+][C@H](C)CN1CCCC1 ZINC000045172382 175321981 /nfs/dbraw/zinc/32/19/81/175321981.db2.gz XRZSKUYQGWIJPJ-VXGBXAGGSA-N 1 0 264.417 2.172 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+][C@H]2CCCN(C)C2)c1C ZINC000045172154 175321999 /nfs/dbraw/zinc/32/19/99/175321999.db2.gz LFOAMOBFKJAJPJ-FZMZJTMJSA-N 1 0 264.417 2.265 10 0 CEAERO C[NH2+]Cc1sc2ccccc2c1CN1CCOCC1 ZINC000045206365 175328407 /nfs/dbraw/zinc/32/84/07/175328407.db2.gz JEPAMVQXBMBNKT-UHFFFAOYSA-N 1 0 276.405 2.453 10 0 CEAERO CCCC[N@H+](C)C[C@@](NCCC)(C(N)=O)c1ccccc1 ZINC000045221943 175330579 /nfs/dbraw/zinc/33/05/79/175330579.db2.gz JMVIMTMIRQGRIN-KRWDZBQOSA-N 1 0 291.439 2.099 10 0 CEAERO COC(=O)[C@](C)(C[NH+]1CCCCCCC1)NC(C)C ZINC000045223688 175331157 /nfs/dbraw/zinc/33/11/57/175331157.db2.gz NGLMZVLWSYHABE-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CCN[C@@](C)(CC[NH+]1CCCCCCC1)C(=O)OC ZINC000045223765 175331551 /nfs/dbraw/zinc/33/15/51/175331551.db2.gz XBCKFTYISMGVCZ-HNNXBMFYSA-N 1 0 270.417 2.184 10 0 CEAERO CCCN[C@](C)(CC[NH+]1CCCCCC1)C(=O)OC ZINC000045228912 175334108 /nfs/dbraw/zinc/33/41/08/175334108.db2.gz GQIDYRGBECXTQK-OAHLLOKOSA-N 1 0 270.417 2.184 10 0 CEAERO CCCN[C@](C)(C[NH+](CCC)CCC)C(=O)OC ZINC000045230332 175334858 /nfs/dbraw/zinc/33/48/58/175334858.db2.gz BBYMHIRFNSAOPW-CQSZACIVSA-N 1 0 258.406 2.040 10 0 CEAERO CCC[NH2+][C@@](C)(CC[N@H+](CC)CC(C)C)C(=O)[O-] ZINC000045264166 175337370 /nfs/dbraw/zinc/33/73/70/175337370.db2.gz SLNDDGCSYFQOQN-AWEZNQCLSA-N 1 0 258.406 2.197 10 0 CEAERO CCC[NH2+][C@@](C)(CC[N@H+](CC)[C@@H](C)CC)C(=O)[O-] ZINC000045266515 175339101 /nfs/dbraw/zinc/33/91/01/175339101.db2.gz FDDKHTORIQEKAH-JSGCOSHPSA-N 1 0 258.406 2.340 10 0 CEAERO CCC[N@H+](CC)C[C@@](C)(NC(C)C)C(=O)OCC ZINC000045267589 175339818 /nfs/dbraw/zinc/33/98/18/175339818.db2.gz XLVBECAOTBIQSA-CQSZACIVSA-N 1 0 258.406 2.038 10 0 CEAERO CCC[N@H+](CC[C@@](C)(NC(C)C)C(=O)OC)C1CC1 ZINC000045268021 175339877 /nfs/dbraw/zinc/33/98/77/175339877.db2.gz WDDJMJCCBWJBMG-OAHLLOKOSA-N 1 0 270.417 2.181 10 0 CEAERO CCCN[C@](C)(CC[N@H+](CC)CCC)C(=O)OCC ZINC000045267706 175339919 /nfs/dbraw/zinc/33/99/19/175339919.db2.gz SKNPJQBDUVCOBI-OAHLLOKOSA-N 1 0 272.433 2.430 10 0 CEAERO CCN[C@@](C)(C[N@H+](C)C(CC)CC)C(=O)OCC ZINC000045269640 175341363 /nfs/dbraw/zinc/34/13/63/175341363.db2.gz RXANPKBXXISWEQ-AWEZNQCLSA-N 1 0 258.406 2.038 10 0 CEAERO CCOC(=O)[C@@](C)(CC[N@H+](C)[C@@H](C)C1CC1)NC(C)C ZINC000045270360 175341442 /nfs/dbraw/zinc/34/14/42/175341442.db2.gz YVCCASREKSOFGC-XJKSGUPXSA-N 1 0 284.444 2.427 10 0 CEAERO CCOC(=O)[C@@](C)(C[N@H+](CC1CC1)C(C)C)NC1CC1 ZINC000045280997 175350738 /nfs/dbraw/zinc/35/07/38/175350738.db2.gz DMQBWOGDNSXPPX-MRXNPFEDSA-N 1 0 282.428 2.181 10 0 CEAERO CCCC[N@H+](C[C@@](C)(NC(C)C)C(N)=O)[C@@H](C)CC ZINC000045282577 175352857 /nfs/dbraw/zinc/35/28/57/175352857.db2.gz OXNSBCVBWJIHHI-DZGCQCFKSA-N 1 0 271.449 2.129 10 0 CEAERO CCN[C@@](C)(CCC[N@@H+]1CCC[C@@H]1C)C(=O)OCC ZINC000045367925 175363099 /nfs/dbraw/zinc/36/30/99/175363099.db2.gz OZKWUKFUELNNIT-ZFWWWQNUSA-N 1 0 270.417 2.182 10 0 CEAERO CCOC(=O)[C@@](C)(CCCC[N@@H+]1CCC[C@@H]1C)NC ZINC000045367773 175363224 /nfs/dbraw/zinc/36/32/24/175363224.db2.gz SXZAIVBUJVPABL-DZGCQCFKSA-N 1 0 270.417 2.182 10 0 CEAERO CC[NH2+][C@@H](CN(CC)c1cccc2ccccc21)C(N)=O ZINC000045369608 175363713 /nfs/dbraw/zinc/36/37/13/175363713.db2.gz JUJCDRAONCBWQQ-HNNXBMFYSA-N 1 0 285.391 2.130 10 0 CEAERO CCOC(=O)[C@@](C)(N)CCCC[NH+]1CCC(C)CC1 ZINC000045374771 175365535 /nfs/dbraw/zinc/36/55/35/175365535.db2.gz VUAKZUXSGBBQNC-HNNXBMFYSA-N 1 0 270.417 2.169 10 0 CEAERO CCOC(=O)[C@](C)(CCCC[NH+]1CCC(C)CC1)NC ZINC000045374792 175365776 /nfs/dbraw/zinc/36/57/76/175365776.db2.gz KVUAHBLLDDCLGX-INIZCTEOSA-N 1 0 284.444 2.430 10 0 CEAERO CC(C)[NH2+][C@@](C)(CCC[N@@H+]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000045377238 175366763 /nfs/dbraw/zinc/36/67/63/175366763.db2.gz XJENXNKAQKSQED-HIFRSBDPSA-N 1 0 270.417 2.340 10 0 CEAERO CCC[NH2+][C@](C)(CCCC[N@H+](C)C(C)C)C(=O)[O-] ZINC000045377939 175367561 /nfs/dbraw/zinc/36/75/61/175367561.db2.gz VWIDLFLTERRIOS-CQSZACIVSA-N 1 0 258.406 2.340 10 0 CEAERO CCOC(=O)[C@](C)(N)CCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000045379684 175368908 /nfs/dbraw/zinc/36/89/08/175368908.db2.gz YKBCBSLJEXCSPX-KCQAQPDRSA-N 1 0 270.417 2.310 10 0 CEAERO C[NH2+][C@@](C)(CCC[N@H+]1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000045379641 175369404 /nfs/dbraw/zinc/36/94/04/175369404.db2.gz AIZBVRPTGTZREZ-SCRDCRAPSA-N 1 0 256.390 2.092 10 0 CEAERO CCCN[C@@](C)(CCCC[N@H+](C)CC)C(=O)OCC ZINC000045382726 175370832 /nfs/dbraw/zinc/37/08/32/175370832.db2.gz DAUJSRSUCJDFLF-HNNXBMFYSA-N 1 0 272.433 2.430 10 0 CEAERO CCCCC[N@H+](C)CCCC[C@](C)(NC)C(=O)OC ZINC000045387951 175374224 /nfs/dbraw/zinc/37/42/24/175374224.db2.gz PXAARCGSYNBWKH-HNNXBMFYSA-N 1 0 272.433 2.430 10 0 CEAERO CC(C)[NH2+][C@](C)(CCC[N@H+](C)[C@@H](C)C1CC1)C(=O)[O-] ZINC000045392952 175375317 /nfs/dbraw/zinc/37/53/17/175375317.db2.gz QPZFPQOLMGWFIG-SWLSCSKDSA-N 1 0 270.417 2.338 10 0 CEAERO CC[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1ccsc1 ZINC000658240296 415275098 /nfs/dbraw/zinc/27/50/98/415275098.db2.gz IEZNKBHOGGSUHE-CMPLNLGQSA-N 1 0 252.383 2.267 10 0 CEAERO CN1C[C@@H](C[NH2+]C2CC(c3cccc(F)c3)C2)CC1=O ZINC000658241050 415275160 /nfs/dbraw/zinc/27/51/60/415275160.db2.gz UGWBJPKGAJYZAX-NUYPLMSZSA-N 1 0 276.355 2.140 10 0 CEAERO CC[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1cccs1 ZINC000658243659 415278984 /nfs/dbraw/zinc/27/89/84/415278984.db2.gz FOLMJHKFFIANHG-MNOVXSKESA-N 1 0 252.383 2.267 10 0 CEAERO Cc1cccc(CC[C@@H](C)[NH2+]C[C@@H]2CC(=O)N(C)C2)c1 ZINC000658246282 415280769 /nfs/dbraw/zinc/28/07/69/415280769.db2.gz YGMJZLRFSAUTJJ-ZBFHGGJFSA-N 1 0 274.408 2.384 10 0 CEAERO COc1ccc2c(c1)CN(C(=O)[C@H]1CCC[C@H]([NH3+])C1)C2 ZINC000655502692 415311888 /nfs/dbraw/zinc/31/18/88/415311888.db2.gz UFMGSDISJXFIPC-FZMZJTMJSA-N 1 0 274.364 2.055 10 0 CEAERO C[C@H](NC(=O)[C@@]1(C)CCC[NH2+]1)C1CCC(F)(F)CC1 ZINC000655524761 415324359 /nfs/dbraw/zinc/32/43/59/415324359.db2.gz BSPGQGHXMWOOKB-GXFFZTMASA-N 1 0 274.355 2.459 10 0 CEAERO O=C([C@@H]1C[C@H]2C[C@H]2C1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000658941667 415367469 /nfs/dbraw/zinc/36/74/69/415367469.db2.gz LOOWDRLTAUVDIA-QMHWVQJVSA-N 1 0 276.424 2.413 10 0 CEAERO O=C([C@@H]1C[C@H]2C[C@H]2C1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000658956385 415369621 /nfs/dbraw/zinc/36/96/21/415369621.db2.gz DWYBTTIGNIRDKD-LVQVYYBASA-N 1 0 276.424 2.271 10 0 CEAERO C[C@@H]1CC[N@H+](C[C@@H](O)COCc2ccccc2)C[C@H](C)O1 ZINC000661855841 415500701 /nfs/dbraw/zinc/50/07/01/415500701.db2.gz JLBQCHPYFNFZNH-HLLBOEOZSA-N 1 0 293.407 2.063 10 0 CEAERO C[NH2+][C@H](Cc1ccc(F)cc1)Cc1cccnc1N ZINC000070407144 175913418 /nfs/dbraw/zinc/91/34/18/175913418.db2.gz GCYXSOMSPASDQI-CQSZACIVSA-N 1 0 259.328 2.176 10 0 CEAERO CC(C)(C)[NH2+]CCc1nnc([C@H]2CCSC2)o1 ZINC000070438817 175933287 /nfs/dbraw/zinc/93/32/87/175933287.db2.gz CKWVESPFCKWFHQ-VIFPVBQESA-N 1 0 255.387 2.221 10 0 CEAERO CC(C)[C@H]([NH3+])CNC(=O)c1cc(Cl)cn1C1CC1 ZINC000070446871 175938921 /nfs/dbraw/zinc/93/89/21/175938921.db2.gz MGEHTEXYOUZCRQ-LLVKDONJSA-N 1 0 269.776 2.190 10 0 CEAERO CC[NH2+]Cc1ccc(OCCOCCOC)c(Cl)c1 ZINC000070480427 175952086 /nfs/dbraw/zinc/95/20/86/175952086.db2.gz FBAWLRJIHJZVRA-UHFFFAOYSA-N 1 0 287.787 2.491 10 0 CEAERO CC[NH2+][C@H](CC)c1c(C)nn(CCOCCOC)c1C ZINC000070483372 175953657 /nfs/dbraw/zinc/95/36/57/175953657.db2.gz OWBXMWDNDOVJSN-CQSZACIVSA-N 1 0 283.416 2.224 10 0 CEAERO [NH3+]C[C@@H]1CC(=O)N(c2ccc(C(F)(F)F)cc2)C1 ZINC000070493083 175955797 /nfs/dbraw/zinc/95/57/97/175955797.db2.gz ATNBWKZWSSXKKH-QMMMGPOBSA-N 1 0 258.243 2.017 10 0 CEAERO C[C@]1(c2cccc(Br)c2)C[C@]1(C[NH3+])CO ZINC000070500647 175958058 /nfs/dbraw/zinc/95/80/58/175958058.db2.gz BTFAFEMQUYGGGX-NEPJUHHUSA-N 1 0 270.170 2.048 10 0 CEAERO CC[NH2+][C@H](CO)CCOc1cccc2c1OC(C)(C)C2 ZINC000070518407 175965948 /nfs/dbraw/zinc/96/59/48/175965948.db2.gz NWSIVYQMPWZSQC-ZDUSSCGKSA-N 1 0 279.380 2.139 10 0 CEAERO CC[NH2+]C[C@H](C)CN1c2ccc(Cl)cc2C(=O)C1=O ZINC000070526666 175970922 /nfs/dbraw/zinc/97/09/22/175970922.db2.gz SIQHWRQLOGRYED-VIFPVBQESA-N 1 0 280.755 2.115 10 0 CEAERO O=C1c2ccccc2CCN1CC[C@H]1CCCC[NH2+]1 ZINC000070536700 175975876 /nfs/dbraw/zinc/97/58/76/175975876.db2.gz VPAYKAOONXOQFL-CQSZACIVSA-N 1 0 258.365 2.217 10 0 CEAERO COc1cccc([C@@H](C)NC(=O)[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000070575684 175991376 /nfs/dbraw/zinc/99/13/76/175991376.db2.gz FCONSMFEBZVOLJ-XBFCOCLRSA-N 1 0 276.380 2.390 10 0 CEAERO C[NH2+]Cc1csc(N2C[C@@H](C)S[C@H](C)C2)n1 ZINC000070682466 176001361 /nfs/dbraw/zinc/00/13/61/176001361.db2.gz FOYDXRJFHJAZSY-RKDXNWHRSA-N 1 0 257.428 2.193 10 0 CEAERO CCN(C(=O)c1ccc(Cl)s1)[C@H]1CC[NH2+]C1 ZINC000070898657 176010738 /nfs/dbraw/zinc/01/07/38/176010738.db2.gz BMQYYWQAVSMTRB-QMMMGPOBSA-N 1 0 258.774 2.226 10 0 CEAERO CC(C)[NH2+]Cc1cc2c(cc1O[C@H]1CCOC1)OCO2 ZINC000070941812 176015035 /nfs/dbraw/zinc/01/50/35/176015035.db2.gz OUMAJFBDPRUZCX-LBPRGKRZSA-N 1 0 279.336 2.081 10 0 CEAERO [NH3+]CCN(C(=O)c1cc(F)cc(F)c1)C1CCCC1 ZINC000070943511 176016558 /nfs/dbraw/zinc/01/65/58/176016558.db2.gz DSORTQXPSPMGBU-UHFFFAOYSA-N 1 0 268.307 2.308 10 0 CEAERO Cc1cc(C)cc([C@H]2[C@H]([NH3+])CCC(=O)N2C2CC2)c1 ZINC000070987562 176018499 /nfs/dbraw/zinc/01/84/99/176018499.db2.gz RAXXFKQRTHRWMQ-ZBFHGGJFSA-N 1 0 258.365 2.457 10 0 CEAERO CC[C@]1(C)C[C@@H]([NH2+][C@@H]2CN3CCC2CC3)CCO1 ZINC000070988089 176018617 /nfs/dbraw/zinc/01/86/17/176018617.db2.gz HKRQUDITXLDAAI-RRFJBIMHSA-N 1 0 252.402 2.018 10 0 CEAERO C[C@@H]1CCC[C@@H](CC[NH2+]CCCS(C)(=O)=O)C1 ZINC000071029703 176021713 /nfs/dbraw/zinc/02/17/13/176021713.db2.gz INCBXNKTSZLFBW-OLZOCXBDSA-N 1 0 261.431 2.227 10 0 CEAERO CC(C)[NH2+][C@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000071032075 176022947 /nfs/dbraw/zinc/02/29/47/176022947.db2.gz XXCYZSYYKMHDRC-RISCZKNCSA-N 1 0 264.344 2.486 10 0 CEAERO CC(C)[NH2+][C@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000071032073 176023007 /nfs/dbraw/zinc/02/30/07/176023007.db2.gz XXCYZSYYKMHDRC-FZMZJTMJSA-N 1 0 264.344 2.486 10 0 CEAERO CSc1cccc(N2CC[C@H]([NH2+]C3CC3)C2=O)c1 ZINC000071035887 176025520 /nfs/dbraw/zinc/02/55/20/176025520.db2.gz KVWFFZKZTJQKNP-ZDUSSCGKSA-N 1 0 262.378 2.266 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN(c2cccc3ncccc32)C1=O ZINC000071037552 176026338 /nfs/dbraw/zinc/02/63/38/176026338.db2.gz ITKIJZAORFXFMV-CQSZACIVSA-N 1 0 269.348 2.338 10 0 CEAERO CC(C)[NH2+][C@H]1CCCN([C@@H](C)c2cccnc2)C1=O ZINC000071040073 176027102 /nfs/dbraw/zinc/02/71/02/176027102.db2.gz CHLMLQGMHIWDEK-JSGCOSHPSA-N 1 0 261.369 2.132 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCCN1CCc1cccc(F)c1 ZINC000071040538 176027688 /nfs/dbraw/zinc/02/76/88/176027688.db2.gz NCSFSNIUKZUVIM-OAHLLOKOSA-N 1 0 276.355 2.111 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCCN1CCc1cc(F)cc(F)c1 ZINC000071042456 176028699 /nfs/dbraw/zinc/02/86/99/176028699.db2.gz ZCACGFOYHFCBQC-HNNXBMFYSA-N 1 0 294.345 2.250 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCCN1c1cc(F)cc(F)c1F ZINC000071042868 176029267 /nfs/dbraw/zinc/02/92/67/176029267.db2.gz JXORHARVXKZBPQ-LLVKDONJSA-N 1 0 284.281 2.351 10 0 CEAERO COc1cc(C[NH2+]C[C@H]2OCCc3ccccc32)ccn1 ZINC000071091160 176031067 /nfs/dbraw/zinc/03/10/67/176031067.db2.gz JNAAWOAEOSTUEO-MRXNPFEDSA-N 1 0 284.359 2.494 10 0 CEAERO OCC1([NH2+]C[C@H]2OCCc3ccccc32)CCCC1 ZINC000071091110 176031511 /nfs/dbraw/zinc/03/15/11/176031511.db2.gz AEWLOOMNIOAIJY-OAHLLOKOSA-N 1 0 261.365 2.195 10 0 CEAERO C[C@@H]([NH3+])Cc1nccn1C[C@@H]1OCCc2ccccc21 ZINC000071099242 176033002 /nfs/dbraw/zinc/03/30/02/176033002.db2.gz JPUCSVTXMAMGGX-DOMZBBRYSA-N 1 0 271.364 2.087 10 0 CEAERO C[C@@H]([NH3+])Cc1cnn(C[C@H]2OCCc3ccccc32)c1 ZINC000071099177 176033226 /nfs/dbraw/zinc/03/32/26/176033226.db2.gz RZXOJBABUYFCEV-MLGOLLRUSA-N 1 0 271.364 2.087 10 0 CEAERO CN1C(=O)Cc2ccc([C@H]([NH3+])CC3CCCC3)cc2C1=O ZINC000071139395 176037939 /nfs/dbraw/zinc/03/79/39/176037939.db2.gz CHCHXVYVZSLLPM-OAHLLOKOSA-N 1 0 286.375 2.421 10 0 CEAERO CC[C@@H](C)[C@H]([NH2+]C)c1ccc2c(c1)C(=O)N(C)C(=O)C2 ZINC000071139481 176038052 /nfs/dbraw/zinc/03/80/52/176038052.db2.gz YHJSDLFSYKQEFC-BMIGLBTASA-N 1 0 274.364 2.148 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc3ccccc3c2O)C1 ZINC000071140097 176038394 /nfs/dbraw/zinc/03/83/94/176038394.db2.gz XMRQNYRMQLZJAB-ZDUSSCGKSA-N 1 0 284.359 2.322 10 0 CEAERO C[NH2+]C[C@@H]1CCN(Cc2ccc(O)c(Cl)c2)C1 ZINC000071142623 176039867 /nfs/dbraw/zinc/03/98/67/176039867.db2.gz LGVDPWIOSZOAJK-NSHDSACASA-N 1 0 254.761 2.087 10 0 CEAERO C[NH2+]C[C@H]1CCN([C@@H](C)c2ccc3c(c2)OCCCO3)C1 ZINC000071142274 176039987 /nfs/dbraw/zinc/03/99/87/176039987.db2.gz UODAMGVNSNTUGO-UONOGXRCSA-N 1 0 290.407 2.450 10 0 CEAERO CC[C@@H]1CCC[C@H]([NH+]2CCN([C@@H](C)C(N)=S)CC2)C1 ZINC000071148235 176044123 /nfs/dbraw/zinc/04/41/23/176044123.db2.gz CJUHWYJQHWQWKU-MJBXVCDLSA-N 1 0 283.485 2.247 10 0 CEAERO CC[C@H]1CCCC[C@]1(CN)[N@H+](C)C1CCOCC1 ZINC000071161686 176046700 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C[NH2+][C@H]1CCCN(CCc2cc(F)cc(F)c2)C1 ZINC000071199526 176077144 /nfs/dbraw/zinc/07/71/44/176077144.db2.gz XQQSWAXGYLGSSC-AWEZNQCLSA-N 1 0 254.324 2.191 10 0 CEAERO Cc1nc(CN2CCC[C@H]([NH2+]C3CC3)C2)cs1 ZINC000071200776 176077780 /nfs/dbraw/zinc/07/77/80/176077780.db2.gz CGMDOBOENQZYEH-LBPRGKRZSA-N 1 0 251.399 2.168 10 0 CEAERO COc1cc([C@@H]2C[NH2+][C@H](C)C2)cc(OC)c1OC ZINC000071202250 176078339 /nfs/dbraw/zinc/07/83/39/176078339.db2.gz IIWSCBHKLPZPDT-KOLCDFICSA-N 1 0 251.326 2.178 10 0 CEAERO CCC[C@@]1(C(=O)N[C@@H]2CCC[C@@H]2C)CCC[NH2+]C1 ZINC000071209046 176081913 /nfs/dbraw/zinc/08/19/13/176081913.db2.gz CGFOUHMKQXMJKD-GZBFAFLISA-N 1 0 252.402 2.461 10 0 CEAERO CC[C@H](C(=O)N(CCC[NH3+])CCOC)c1ccccc1 ZINC000071222847 176087941 /nfs/dbraw/zinc/08/79/41/176087941.db2.gz CWDARDGYXAMCLI-HNNXBMFYSA-N 1 0 278.396 2.004 10 0 CEAERO Cn1ccnc1SCc1ccc(F)cc1C[NH3+] ZINC000071264475 176098317 /nfs/dbraw/zinc/09/83/17/176098317.db2.gz JTAXOPCILVDVJN-UHFFFAOYSA-N 1 0 251.330 2.310 10 0 CEAERO CC(C)[N@H+](CCCO)Cc1ccc(F)cc1C(N)=S ZINC000071266080 176100146 /nfs/dbraw/zinc/10/01/46/176100146.db2.gz OQIAMTBLJSNSQK-UHFFFAOYSA-N 1 0 284.400 2.053 10 0 CEAERO Cn1cc(SCc2ccc(F)cc2C(N)=[NH2+])cn1 ZINC000071268442 176102095 /nfs/dbraw/zinc/10/20/95/176102095.db2.gz HFUVFEDWPRIPLD-UHFFFAOYSA-N 1 0 264.329 2.136 10 0 CEAERO CC[C@H]([NH2+]C[C@@H](O)C1CC1)c1ccc2c(c1)CCO2 ZINC000071302307 176114452 /nfs/dbraw/zinc/11/44/52/176114452.db2.gz HZNHCDKWCRMGRG-LSDHHAIUSA-N 1 0 261.365 2.433 10 0 CEAERO CCN(CC(=O)N(CC)c1ccccc1C)[C@@H]1CC[NH2+]C1 ZINC000071313042 176119608 /nfs/dbraw/zinc/11/96/08/176119608.db2.gz XFPFLPIOSSPWEQ-OAHLLOKOSA-N 1 0 289.423 2.032 10 0 CEAERO CCN(c1ncnc2sc(C)c(C)c21)[C@H]1CC[NH2+]C1 ZINC000071314333 176121202 /nfs/dbraw/zinc/12/12/02/176121202.db2.gz BAWLXVYCUUNCFG-NSHDSACASA-N 1 0 276.409 2.496 10 0 CEAERO CCCN(C(=O)c1c[nH]c2ccccc12)[C@H]1CC[NH2+]C1 ZINC000071315623 176121535 /nfs/dbraw/zinc/12/15/35/176121535.db2.gz XEQVFWFKZVGDFG-LBPRGKRZSA-N 1 0 271.364 2.382 10 0 CEAERO Cc1ccc(C)c(CC(=O)NC[C@H]2[NH2+]CCC[C@@H]2C)c1 ZINC000071338814 176128977 /nfs/dbraw/zinc/12/89/77/176128977.db2.gz FEZRQEMAOGYDNJ-GOEBONIOSA-N 1 0 274.408 2.350 10 0 CEAERO C[C@H]1CCC[NH2+][C@@H]1CNC(=O)c1ccc2c(c1)CCC2 ZINC000071338673 176129010 /nfs/dbraw/zinc/12/90/10/176129010.db2.gz PCCQEPCPIUSWPX-BLLLJJGKSA-N 1 0 272.392 2.293 10 0 CEAERO C[C@H]1CCC[NH2+][C@@H]1CNC(=O)CC1CCCCC1 ZINC000071338725 176129031 /nfs/dbraw/zinc/12/90/31/176129031.db2.gz CNOGLYDFJRBHJU-GXTWGEPZSA-N 1 0 252.402 2.461 10 0 CEAERO C[C@@H]1CCC[NH2+][C@@H]1CNC(=O)c1c(F)cccc1F ZINC000071338628 176129164 /nfs/dbraw/zinc/12/91/64/176129164.db2.gz JOCIYNPTLBTGQJ-BXKDBHETSA-N 1 0 268.307 2.083 10 0 CEAERO CC1(C)CN(Cc2cn3ccccc3n2)C(C)(C)C[NH2+]1 ZINC000071343083 176131106 /nfs/dbraw/zinc/13/11/06/176131106.db2.gz UAGDDMSNIGZHMO-UHFFFAOYSA-N 1 0 272.396 2.297 10 0 CEAERO CC[C@@H]1CN(Cc2ncccn2)C2(CCCCC2)C[NH2+]1 ZINC000071345429 176131684 /nfs/dbraw/zinc/13/16/84/176131684.db2.gz JDMWYEHFEZAQAJ-CQSZACIVSA-N 1 0 274.412 2.363 10 0 CEAERO CC(C)C[C@H]1CN(C[C@@H]2CCCCO2)[C@@H](C)C[NH2+]1 ZINC000071349583 176133896 /nfs/dbraw/zinc/13/38/96/176133896.db2.gz GCYJLTCNXGOZFL-KKUMJFAQSA-N 1 0 254.418 2.264 10 0 CEAERO CC[N@H+](CCCn1ccc(N)n1)Cc1cccs1 ZINC000071352199 176134818 /nfs/dbraw/zinc/13/48/18/176134818.db2.gz SAAQMYGGKFMVTO-UHFFFAOYSA-N 1 0 264.398 2.439 10 0 CEAERO COCCOCCN1C[C@H](CC(C)C)[NH2+]CC12CCCC2 ZINC000071352132 176134843 /nfs/dbraw/zinc/13/48/43/176134843.db2.gz VXDHYDCHZWUYRP-INIZCTEOSA-N 1 0 298.471 2.282 10 0 CEAERO CC[C@]1(C)C[NH2+][C@H](CC(C)C)CN1Cc1cnn(C)c1 ZINC000071351938 176135246 /nfs/dbraw/zinc/13/52/46/176135246.db2.gz VRVHYBLYYQYKHR-HZPDHXFCSA-N 1 0 278.444 2.409 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](Cc2ccccc2)CN1Cc1ccccn1 ZINC000071352526 176135438 /nfs/dbraw/zinc/13/54/38/176135438.db2.gz NQSORYKMRXALJV-QAPCUYQASA-N 1 0 281.403 2.487 10 0 CEAERO CC[C@H](C)[C@H]1CN(CCOC)[C@H](C(C)(C)C)C[NH2+]1 ZINC000071355495 176137015 /nfs/dbraw/zinc/13/70/15/176137015.db2.gz UABYZXXKBGPRJG-MJBXVCDLSA-N 1 0 256.434 2.367 10 0 CEAERO CC[C@]1(C)CN(CCOCC(F)(F)F)[C@H](C2CC2)C[NH2+]1 ZINC000071357304 176137285 /nfs/dbraw/zinc/13/72/85/176137285.db2.gz IPOQLHRHDZRMRN-QWHCGFSZSA-N 1 0 294.361 2.418 10 0 CEAERO CC[C@@H]1C[NH2+]C2(CCCCC2)CN1Cc1cnn(C)c1 ZINC000071359473 176137430 /nfs/dbraw/zinc/13/74/30/176137430.db2.gz VXNWBQVLHFAJKG-OAHLLOKOSA-N 1 0 276.428 2.307 10 0 CEAERO c1cn(CCC[N@@H+]2CC3(CCCC3)NC[C@H]2C2CC2)cn1 ZINC000071358669 176137482 /nfs/dbraw/zinc/13/74/82/176137482.db2.gz LWSGNHQGMPNGKL-INIZCTEOSA-N 1 0 288.439 2.270 10 0 CEAERO CCOCCN1CC2(CCCCC2)[NH2+]C[C@H]1CC ZINC000071359368 176137835 /nfs/dbraw/zinc/13/78/35/176137835.db2.gz MTLMMWPFANPQJZ-CQSZACIVSA-N 1 0 254.418 2.410 10 0 CEAERO CC[C@@]1(C)C[N@H+](C[C@@H]2CCCCO2)[C@H](C2CC2)CN1 ZINC000071357335 176137966 /nfs/dbraw/zinc/13/79/66/176137966.db2.gz JRLIWPBNUOTLSF-JYJNAYRXSA-N 1 0 266.429 2.408 10 0 CEAERO Cc1cc(C)cc(CSc2nnc(C[NH3+])n2C)c1 ZINC000071374104 176139142 /nfs/dbraw/zinc/13/91/42/176139142.db2.gz UZVYAUWNMOQCPC-UHFFFAOYSA-N 1 0 262.382 2.183 10 0 CEAERO Nc1ccn(CC[N@H+](Cc2ccccc2)C2CC2)n1 ZINC000071377898 176142932 /nfs/dbraw/zinc/14/29/32/176142932.db2.gz SBMJXPRENQWNIA-UHFFFAOYSA-N 1 0 256.353 2.130 10 0 CEAERO C[N@H+](CCNc1nc(Cl)nc(Cl)n1)C1CCCC1 ZINC000071379817 176144261 /nfs/dbraw/zinc/14/42/61/176144261.db2.gz UWDUBCGOZHHKEV-UHFFFAOYSA-N 1 0 290.198 2.465 10 0 CEAERO C[N@H+](CCNc1ccnc(Cl)n1)C1CCCC1 ZINC000071379800 176144354 /nfs/dbraw/zinc/14/43/54/176144354.db2.gz KYDKJMFUKFPCPG-UHFFFAOYSA-N 1 0 254.765 2.416 10 0 CEAERO CC(C)[NH2+]CCCOc1nc2ccccc2cc1C(N)=O ZINC000071386329 176147630 /nfs/dbraw/zinc/14/76/30/176147630.db2.gz VWEHMTKMCPZUET-UHFFFAOYSA-N 1 0 287.363 2.101 10 0 CEAERO CC(C)N(CCCO)c1nc2ccccc2cc1C(N)=[NH2+] ZINC000071390185 176148489 /nfs/dbraw/zinc/14/84/89/176148489.db2.gz IRFCNJOINFYBLA-UHFFFAOYSA-N 1 0 286.379 2.116 10 0 CEAERO CC(C)(C)[C@H]([NH3+])c1nc(-c2ccccc2)cc(=O)[nH]1 ZINC000071396837 176150192 /nfs/dbraw/zinc/15/01/92/176150192.db2.gz PNPVHUHBTRKQKP-CYBMUJFWSA-N 1 0 257.337 2.483 10 0 CEAERO Cc1sc2ncnc(N[C@@H]3CCC[NH2+]C3)c2c1C ZINC000071397724 176151200 /nfs/dbraw/zinc/15/12/00/176151200.db2.gz MCFVXDBPJSJRGE-SNVBAGLBSA-N 1 0 262.382 2.472 10 0 CEAERO CCC[NH2+]Cc1ccc(OCC(N)=O)c(C(F)(F)F)c1 ZINC000071398672 176151688 /nfs/dbraw/zinc/15/16/88/176151688.db2.gz IPANFOMGHICYNV-UHFFFAOYSA-N 1 0 290.285 2.069 10 0 CEAERO CCN(C)C(=O)COc1ccc(C[NH3+])cc1C(F)(F)F ZINC000071398421 176151846 /nfs/dbraw/zinc/15/18/46/176151846.db2.gz YQPABODAGZSKTF-UHFFFAOYSA-N 1 0 290.285 2.021 10 0 CEAERO CC[NH2+]Cc1cc(C)ccc1OCc1nccn1C ZINC000071403868 176155517 /nfs/dbraw/zinc/15/55/17/176155517.db2.gz SGKXNZGMRJVMSU-UHFFFAOYSA-N 1 0 259.353 2.417 10 0 CEAERO COC(=O)COc1ccc(C)cc1C[NH2+]CC(C)C ZINC000071407327 176156163 /nfs/dbraw/zinc/15/61/63/176156163.db2.gz KAZGNVIUUFGZMT-UHFFFAOYSA-N 1 0 265.353 2.292 10 0 CEAERO CC[C@@H](C)NC(=O)COc1ccc(C)cc1C[C@@H](C)[NH3+] ZINC000071411853 176157569 /nfs/dbraw/zinc/15/75/69/176157569.db2.gz HZQXLDZHWLQDSB-CHWSQXEVSA-N 1 0 278.396 2.178 10 0 CEAERO Cc1cc2c([nH]c(SCC[NH+]3CCCC3)nc2=O)s1 ZINC000071514785 176193344 /nfs/dbraw/zinc/19/33/44/176193344.db2.gz UICDJTVHXVPELM-UHFFFAOYSA-N 1 0 295.433 2.481 10 0 CEAERO CC[NH2+][C@@H](C)[C@@H](O)c1cc(OC)c(C)cc1OC ZINC000071574795 176201891 /nfs/dbraw/zinc/20/18/91/176201891.db2.gz CSBMONGGIZCBAC-IINYFYTJSA-N 1 0 253.342 2.044 10 0 CEAERO CC[NH2+][C@@H](C)[C@H](O)c1cc(OC)c(C)cc1OC ZINC000071574793 176201962 /nfs/dbraw/zinc/20/19/62/176201962.db2.gz CSBMONGGIZCBAC-HZMBPMFUSA-N 1 0 253.342 2.044 10 0 CEAERO CC(C)[C@@H]([NH3+])[C@H](O)c1cccc(Br)c1 ZINC000071583628 176208364 /nfs/dbraw/zinc/20/83/64/176208364.db2.gz IBEKPCMGHQNIBW-GHMZBOCLSA-N 1 0 258.159 2.466 10 0 CEAERO COc1cc(CC2([C@@H](C)[NH3+])CC2)cc(OC)c1OC ZINC000071597728 176221294 /nfs/dbraw/zinc/22/12/94/176221294.db2.gz LSWJGLKIANPRHR-SNVBAGLBSA-N 1 0 265.353 2.382 10 0 CEAERO CC(C)[NH2+]C[C@@H](O)Cc1cccc(Br)c1 ZINC000071611526 176231824 /nfs/dbraw/zinc/23/18/24/176231824.db2.gz HTKCBMAYPPCOAL-LBPRGKRZSA-N 1 0 272.186 2.351 10 0 CEAERO CC(C)[NH2+]C[C@H](O)Cc1cccc(Br)c1 ZINC000071611523 176231930 /nfs/dbraw/zinc/23/19/30/176231930.db2.gz HTKCBMAYPPCOAL-GFCCVEGCSA-N 1 0 272.186 2.351 10 0 CEAERO C[C@@H]1C[C@@H]1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000072094688 176314588 /nfs/dbraw/zinc/31/45/88/176314588.db2.gz JSOIDUOEPXYWDC-BMFZPTHFSA-N 1 0 272.392 2.423 10 0 CEAERO CO[C@H](CN1CC[N@@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000659902860 415771639 /nfs/dbraw/zinc/77/16/39/415771639.db2.gz ZYVFHAGSKGUWFM-JKSUJKDBSA-N 1 0 266.429 2.362 10 0 CEAERO CC(C)OC1CC[NH+](C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000659908102 415776717 /nfs/dbraw/zinc/77/67/17/415776717.db2.gz CITACQSOKXDPHI-ZIAGYGMSSA-N 1 0 255.402 2.427 10 0 CEAERO CC[C@H]([NH2+]C)C(=O)N[C@H](C)c1cc(C)ccc1OC ZINC000662355921 415797993 /nfs/dbraw/zinc/79/79/93/415797993.db2.gz NBCUGYXSOFMSTN-YPMHNXCESA-N 1 0 264.369 2.179 10 0 CEAERO CC[C@@H](C)CC[NH2+]C[C@H](O)COCc1ccco1 ZINC000656704203 415824125 /nfs/dbraw/zinc/82/41/25/415824125.db2.gz HEJIBIODVFTQQG-OLZOCXBDSA-N 1 0 255.358 2.183 10 0 CEAERO C[NH2+]CCC(=O)N(C)c1ccc(OC(C)C)c(C)c1 ZINC000076369133 177006270 /nfs/dbraw/zinc/00/62/70/177006270.db2.gz UGSBDDMEQNKJNC-UHFFFAOYSA-N 1 0 264.369 2.355 10 0 CEAERO CCc1cc(N(C)C(=O)C[NH2+]C(C)C)ccc1OC ZINC000076369319 177006494 /nfs/dbraw/zinc/00/64/94/177006494.db2.gz MHSHAXIRTPWCKK-UHFFFAOYSA-N 1 0 264.369 2.218 10 0 CEAERO C[NH2+][C@@H](C(=O)c1cc(OC)c(OC)cc1C)C(C)C ZINC000076372359 177008484 /nfs/dbraw/zinc/00/84/84/177008484.db2.gz NUUJQTOFTXOTHS-CQSZACIVSA-N 1 0 265.353 2.439 10 0 CEAERO C[C@@H](CC[NH2+]C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000076377469 177012218 /nfs/dbraw/zinc/01/22/18/177012218.db2.gz DUKLTXAAZNPVFG-NSHDSACASA-N 1 0 267.394 2.336 10 0 CEAERO [NH3+][C@@H](Cn1cccn1)c1cc(Br)cs1 ZINC000076413327 177021126 /nfs/dbraw/zinc/02/11/26/177021126.db2.gz NTSZAGUMAZMPAN-QMMMGPOBSA-N 1 0 272.171 2.407 10 0 CEAERO COc1ccc(Cl)cc1NC(=O)C1(C[NH3+])CCOCC1 ZINC000076577269 177041306 /nfs/dbraw/zinc/04/13/06/177041306.db2.gz BBZJHQVTMZRPHR-UHFFFAOYSA-N 1 0 298.770 2.043 10 0 CEAERO COc1cccc(NC(=O)C[C@@H](C[NH3+])C(C)C)c1 ZINC000076654680 177044542 /nfs/dbraw/zinc/04/45/42/177044542.db2.gz SUSHUUCIFCLSSW-NSHDSACASA-N 1 0 250.342 2.255 10 0 CEAERO CC(C)CNC(=O)[C@H](CC[NH3+])c1ccccc1F ZINC000076656539 177045810 /nfs/dbraw/zinc/04/58/10/177045810.db2.gz SKWPFNDVFMLQNY-GFCCVEGCSA-N 1 0 252.333 2.030 10 0 CEAERO CC(C)CNC(=O)[C@H](CC[NH3+])c1ccc(F)cc1 ZINC000076656544 177045965 /nfs/dbraw/zinc/04/59/65/177045965.db2.gz MLIZDTDCLTTYRD-CYBMUJFWSA-N 1 0 252.333 2.030 10 0 CEAERO CCNC(=O)[C@H](CCC[NH3+])c1cccc(Cl)c1 ZINC000076658930 177047408 /nfs/dbraw/zinc/04/74/08/177047408.db2.gz WZPBLQAXJCJGHE-GFCCVEGCSA-N 1 0 254.761 2.299 10 0 CEAERO Cc1ccccc1CN(CC[NH3+])Cc1cccnc1 ZINC000076660932 177048820 /nfs/dbraw/zinc/04/88/20/177048820.db2.gz KJYBPZSFMPAPQL-UHFFFAOYSA-N 1 0 255.365 2.351 10 0 CEAERO COc1ccc(OC[C@H](C[NH3+])c2cccn2C)cc1 ZINC000076670675 177053180 /nfs/dbraw/zinc/05/31/80/177053180.db2.gz SYLHFFNMDROXRF-LBPRGKRZSA-N 1 0 260.337 2.155 10 0 CEAERO CC(C)CN(C(=O)C[NH3+])c1ccccc1OC(C)C ZINC000076680196 177057936 /nfs/dbraw/zinc/05/79/36/177057936.db2.gz YWSHPXBEMMAOSY-UHFFFAOYSA-N 1 0 264.369 2.422 10 0 CEAERO CC(C)C[C@@H](C[NH3+])CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000076825548 177110915 /nfs/dbraw/zinc/11/09/15/177110915.db2.gz NVLLTJPXDIRPLN-GFCCVEGCSA-N 1 0 292.379 2.407 10 0 CEAERO CC(C)C[C@@H](O)C1CCN(Cc2c[nH]cn2)CC1 ZINC000077344006 177254631 /nfs/dbraw/zinc/25/46/31/177254631.db2.gz DTBUBHRBCIWKKR-CQSZACIVSA-N 1 0 251.374 2.029 10 0 CEAERO C[NH2+][C@@H](C)CC(=O)Nc1ccccc1OC(C)C ZINC000077431953 177267609 /nfs/dbraw/zinc/26/76/09/177267609.db2.gz HKPXESYNTAYKQL-NSHDSACASA-N 1 0 250.342 2.410 10 0 CEAERO CCN(C(=O)C[N@H+](CC)CC(C)(C)O)C1=CCCCC1 ZINC000078747385 177380796 /nfs/dbraw/zinc/38/07/96/177380796.db2.gz CIJYFHHHRBRCAN-UHFFFAOYSA-N 1 0 282.428 2.386 10 0 CEAERO CCCc1ccc(NC(=O)C[N@H+](C)CC(C)(C)O)cc1 ZINC000078778510 177387034 /nfs/dbraw/zinc/38/70/34/177387034.db2.gz HCRFKIQJEKCAFG-UHFFFAOYSA-N 1 0 278.396 2.280 10 0 CEAERO COCc1ccccc1CNC(=O)CC[C@H](C)CC[NH3+] ZINC000079118027 177436490 /nfs/dbraw/zinc/43/64/90/177436490.db2.gz ZWPAFJLTGDMVKR-ZDUSSCGKSA-N 1 0 278.396 2.214 10 0 CEAERO CCC[C@H](CC[NH3+])CCC(=O)N1CCO[C@H](CC)C1 ZINC000079236685 177453017 /nfs/dbraw/zinc/45/30/17/177453017.db2.gz LAXRHMITNVESHV-UONOGXRCSA-N 1 0 270.417 2.169 10 0 CEAERO COc1ccc(NC(=O)CC[C@@H](CC[NH3+])C(C)C)cn1 ZINC000079254254 177459054 /nfs/dbraw/zinc/45/90/54/177459054.db2.gz SWNABHGFTGGCLS-LBPRGKRZSA-N 1 0 279.384 2.430 10 0 CEAERO COC(OC)[C@H](C)[NH2+]Cc1cc2c(s1)CCC2 ZINC000079617270 177526040 /nfs/dbraw/zinc/52/60/40/177526040.db2.gz MNIFBAYWFDLEOD-VIFPVBQESA-N 1 0 255.383 2.334 10 0 CEAERO CC1(C)CCC(NC(=O)c2cc[nH+]c(NN)c2)CC1 ZINC000079697571 177538154 /nfs/dbraw/zinc/53/81/54/177538154.db2.gz QYJGYACFKWIQSZ-UHFFFAOYSA-N 1 0 262.357 2.066 10 0 CEAERO [NH3+]C[C@H]1CCCO[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000079898925 177578252 /nfs/dbraw/zinc/57/82/52/177578252.db2.gz LDKKQTLUHCKVFC-IUODEOHRSA-N 1 0 263.337 2.274 10 0 CEAERO CC(C)(C[NH3+])C(=O)N[C@@H]1C(C)(C)[C@@H]2CC[C@@]1(C)C2 ZINC000080148415 177614789 /nfs/dbraw/zinc/61/47/89/177614789.db2.gz VEZVMXIJXHSHCW-HFAKWTLXSA-N 1 0 252.402 2.302 10 0 CEAERO Cc1cc(C(C)C)nc(N2CCC([C@H](C)[NH3+])CC2)n1 ZINC000122223687 419426429 /nfs/dbraw/zinc/42/64/29/419426429.db2.gz KSALEXAHAMZKHQ-LBPRGKRZSA-N 1 0 262.401 2.472 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000136371914 419446844 /nfs/dbraw/zinc/44/68/44/419446844.db2.gz LFXNQUGFIPPGDA-OAHLLOKOSA-N 1 0 286.379 2.243 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000136427827 419447233 /nfs/dbraw/zinc/44/72/33/419447233.db2.gz MYKYRCGREOFKFF-LBPRGKRZSA-N 1 0 286.322 2.278 10 0 CEAERO Cc1cc(C)c(O)c(NC(=O)C[C@H]([NH3+])C(C)C)c1 ZINC000136488687 419447864 /nfs/dbraw/zinc/44/78/64/419447864.db2.gz PBIIHGSLLHGURS-NSHDSACASA-N 1 0 250.342 2.321 10 0 CEAERO COc1ccc([C@H](C)NC(=O)C[C@H]([NH3+])C(C)C)cc1OC ZINC000136422244 419448013 /nfs/dbraw/zinc/44/80/13/419448013.db2.gz AGJJNPYLUWMMQG-AAEUAGOBSA-N 1 0 294.395 2.254 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000136399400 419448117 /nfs/dbraw/zinc/44/81/17/419448117.db2.gz MAUCMPLPFOQMPU-GJZGRUSLSA-N 1 0 294.370 2.099 10 0 CEAERO CC[N@@H+]1CC[C@H](NC(=O)Nc2cccc(C(C)=O)c2)C1 ZINC000390145474 262141625 /nfs/dbraw/zinc/14/16/25/262141625.db2.gz KLKMFNLTVHHEHE-AWEZNQCLSA-N 1 0 275.352 2.105 10 0 CEAERO CCC[C@@H](C)[NH+]1CCN([C@@H](C)c2nc(CC)no2)CC1 ZINC000187683144 270255486 /nfs/dbraw/zinc/25/54/86/270255486.db2.gz AHTABKNTOMAVDM-OLZOCXBDSA-N 1 0 280.416 2.499 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)CCC(=O)c2ccccc2)C1 ZINC000194625215 270301541 /nfs/dbraw/zinc/30/15/41/270301541.db2.gz CHCRJXDPGVUSGZ-HNNXBMFYSA-N 1 0 288.391 2.250 10 0 CEAERO C[NH2+][C@H](C)CNCc1csc(Br)c1 ZINC000398011306 270355569 /nfs/dbraw/zinc/35/55/69/270355569.db2.gz SSZDIPDXWFCDIU-SSDOTTSWSA-N 1 0 263.204 2.208 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@@H]([NH3+])C2CCC2)cc1F ZINC000399226584 270367580 /nfs/dbraw/zinc/36/75/80/270367580.db2.gz NFLGORKTYXZJKE-HZMBPMFUSA-N 1 0 264.344 2.439 10 0 CEAERO [NH3+]C[C@H](Nc1ncnc2[nH]ccc21)C1CCCCC1 ZINC000420191044 270478903 /nfs/dbraw/zinc/47/89/03/270478903.db2.gz RBPCESMNIJOUSL-LBPRGKRZSA-N 1 0 259.357 2.277 10 0 CEAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1COc2ccccc21 ZINC000060587337 273641232 /nfs/dbraw/zinc/64/12/32/273641232.db2.gz MWFNPEMLJUOUQZ-OCCSQVGLSA-N 1 0 291.395 2.150 10 0 CEAERO C[NH2+]C[C@@H]1CCCN1c1ncnc2sc(C)c(C)c21 ZINC000053703726 273965231 /nfs/dbraw/zinc/96/52/31/273965231.db2.gz CJISNNDSZLUZRF-NSHDSACASA-N 1 0 276.409 2.496 10 0 CEAERO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H](OC)c1ccc(F)cc1 ZINC000262526120 287717200 /nfs/dbraw/zinc/71/72/00/287717200.db2.gz GMBIYAVHSHWBSY-LWWSYDQCSA-N 1 0 296.386 2.391 10 0 CEAERO C[C@@H]1CN(C(=O)N2CCc3cc(F)ccc32)C[C@@]1(C)C[NH3+] ZINC000335308949 274324957 /nfs/dbraw/zinc/32/49/57/274324957.db2.gz QNGACOHGEMCMGQ-BDJLRTHQSA-N 1 0 291.370 2.225 10 0 CEAERO Cc1cc(F)cc2[nH]c(C(=O)N3CC[C@H]([NH+](C)C)C3)cc21 ZINC000116749188 274700496 /nfs/dbraw/zinc/70/04/96/274700496.db2.gz MWFOWYANRGVFTI-LBPRGKRZSA-N 1 0 289.354 2.392 10 0 CEAERO Cc1ccc(NC(=O)[C@@H](C)C2C[NH2+]C2)c2cccnc12 ZINC000164083210 274752279 /nfs/dbraw/zinc/75/22/79/274752279.db2.gz PIBBUVWUPKDXDH-NSHDSACASA-N 1 0 269.348 2.337 10 0 CEAERO Cc1nc(-c2ccccc2)nc(N2CC[NH2+]CC2)c1C ZINC000035768946 274835572 /nfs/dbraw/zinc/83/55/72/274835572.db2.gz DRDLRPRVFRKUOT-UHFFFAOYSA-N 1 0 268.364 2.170 10 0 CEAERO Cc1nc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1Br ZINC000261549828 274842070 /nfs/dbraw/zinc/84/20/70/274842070.db2.gz KSMKDGJPYWMNCJ-JQWIXIFHSA-N 1 0 296.212 2.341 10 0 CEAERO O=C(Nc1nc2c(cccc2Cl)[nH]1)[C@H]1CCCC[NH2+]1 ZINC000262253349 275001967 /nfs/dbraw/zinc/00/19/67/275001967.db2.gz QWMGIGXCFGLXSW-SNVBAGLBSA-N 1 0 278.743 2.297 10 0 CEAERO c1nc2n(n1)C[C@H]([NH2+][C@H](Cc1ccccc1)C1CC1)CC2 ZINC000180580199 275076482 /nfs/dbraw/zinc/07/64/82/275076482.db2.gz GDWATCFSDPPVQJ-HZPDHXFCSA-N 1 0 282.391 2.204 10 0 CEAERO CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000037042554 275702721 /nfs/dbraw/zinc/70/27/21/275702721.db2.gz VMDOOLBETQBMGB-AEJSXWLSSA-N 1 0 266.307 2.207 10 0 CEAERO CC1(C)CN(c2cnc3ccccc3n2)CC[C@H]1[NH3+] ZINC000261629214 275851322 /nfs/dbraw/zinc/85/13/22/275851322.db2.gz VQGOFYQIYIIFJA-CYBMUJFWSA-N 1 0 256.353 2.193 10 0 CEAERO CC(C)n1cncc1C[NH2+][C@H]1CCCC[C@H]1CO ZINC000231295790 276087792 /nfs/dbraw/zinc/08/77/92/276087792.db2.gz WXFIOEFXLWSHLY-JSGCOSHPSA-N 1 0 251.374 2.105 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1c(C)nsc1NC ZINC000176964169 276169335 /nfs/dbraw/zinc/16/93/35/276169335.db2.gz CXDQERDGWHYMHJ-LLVKDONJSA-N 1 0 296.440 2.050 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C[C@H](O)CC1CCCC1 ZINC000300071679 276169744 /nfs/dbraw/zinc/16/97/44/276169744.db2.gz COZXYWFRRGMPGI-HZPDHXFCSA-N 1 0 268.445 2.344 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](OC)c1ccccc1 ZINC000245436560 276180695 /nfs/dbraw/zinc/18/06/95/276180695.db2.gz VFHMELIRDNBOSX-HOTGVXAUSA-N 1 0 290.407 2.317 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[C@H](SCC)C1 ZINC000121591347 276284936 /nfs/dbraw/zinc/28/49/36/276284936.db2.gz LLKGZIUXUYOULV-WOPDTQHZSA-N 1 0 258.431 2.246 10 0 CEAERO CCS(=O)(=O)c1ccc(N2CCC[C@@H](C)[C@@H]2C[NH3+])cc1 ZINC000070178448 276393588 /nfs/dbraw/zinc/39/35/88/276393588.db2.gz HGLDRNQJRSAEES-DOMZBBRYSA-N 1 0 296.436 2.044 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]C2CCCC2)C12CCOCC2 ZINC000186198328 276473120 /nfs/dbraw/zinc/47/31/20/276473120.db2.gz JMIBFNSRHRTXCT-ZIAGYGMSSA-N 1 0 253.386 2.493 10 0 CEAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)C1CCSCC1)CC2 ZINC000187328607 276695557 /nfs/dbraw/zinc/69/55/57/276695557.db2.gz OEYYMKSHTQWKMY-DGCLKSJQSA-N 1 0 294.468 2.277 10 0 CEAERO CC(C)C1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)CC1 ZINC000261961564 277337815 /nfs/dbraw/zinc/33/78/15/277337815.db2.gz PPWVGXYCHKIEFN-RRFJBIMHSA-N 1 0 266.429 2.169 10 0 CEAERO CC(C)CC[C@H](C)NC(=O)[C@H]1CCCN1C1CC[NH2+]CC1 ZINC000038043220 277364710 /nfs/dbraw/zinc/36/47/10/277364710.db2.gz AXLXPCUGOCQEBS-GOEBONIOSA-N 1 0 295.471 2.144 10 0 CEAERO CC(C)(C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000171585798 278264475 /nfs/dbraw/zinc/26/44/75/278264475.db2.gz BVCQHPKSRJBZMX-OAHLLOKOSA-N 1 0 272.392 2.271 10 0 CEAERO CC1(C)CN(C(=O)c2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000259314731 278322478 /nfs/dbraw/zinc/32/24/78/278322478.db2.gz WXKCXBZHOOWYMW-GFCCVEGCSA-N 1 0 250.317 2.025 10 0 CEAERO C[C@@H]1CCN(c2ncnc3ccsc32)[C@H](C[NH3+])C1 ZINC000261549095 278560034 /nfs/dbraw/zinc/56/00/34/278560034.db2.gz GUTLHZWFPWZBRE-ZJUUUORDSA-N 1 0 262.382 2.255 10 0 CEAERO C[C@@H]1CN(C(=O)c2csc3c2CCCC3)C[C@@H]1[NH3+] ZINC000335484295 288060274 /nfs/dbraw/zinc/06/02/74/288060274.db2.gz TYGQDBUQOWXSOA-SKDRFNHKSA-N 1 0 264.394 2.046 10 0 CEAERO C[C@@H]1CN(Cc2cc(Cl)c3c(c2)OCCCO3)C[C@@H]1[NH3+] ZINC000235399215 278774748 /nfs/dbraw/zinc/77/47/48/278774748.db2.gz IOFNVJHHSFYCKL-MFKMUULPSA-N 1 0 296.798 2.280 10 0 CEAERO Cc1nc2ccccc2nc1N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261830056 279131035 /nfs/dbraw/zinc/13/10/35/279131035.db2.gz UPQGOXRSMADXGT-CHWSQXEVSA-N 1 0 268.364 2.126 10 0 CEAERO CC(C)C[C@H](CO)[NH2+][C@@H]1CC(=O)N(C)c2ccccc21 ZINC000040776319 279174339 /nfs/dbraw/zinc/17/43/39/279174339.db2.gz WZBPADHDLRSANK-TZMCWYRMSA-N 1 0 276.380 2.091 10 0 CEAERO Cc1nccnc1[C@H](C)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000188230397 279175999 /nfs/dbraw/zinc/17/59/99/279175999.db2.gz ABIIGJJCWJRWAE-UBHSHLNASA-N 1 0 262.401 2.164 10 0 CEAERO Cc1nnc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)s1 ZINC000366868583 279220959 /nfs/dbraw/zinc/22/09/59/279220959.db2.gz MVYFIVDYZWFRES-YNEHKIRRSA-N 1 0 281.425 2.362 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C)C(=O)NC1CCCCC1 ZINC000245475740 279328507 /nfs/dbraw/zinc/32/85/07/279328507.db2.gz SEECWBMAQFLXDA-ZBFHGGJFSA-N 1 0 295.471 2.240 10 0 CEAERO 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CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])[C@@H]1c1cccc(N)c1 ZINC000536954250 330382871 /nfs/dbraw/zinc/38/28/71/330382871.db2.gz QZPJZXNISACYEL-OLZOCXBDSA-N 1 0 277.368 2.278 10 0 CEAERO CC(C)[NH2+]Cc1cc(COCCOC(C)C)on1 ZINC000052627333 519726070 /nfs/dbraw/zinc/72/60/70/519726070.db2.gz HDRYKEQXCRQLOV-UHFFFAOYSA-N 1 0 256.346 2.114 10 0 CEAERO CC(C)C[NH2+]Cc1occc1CN1CCOC[C@@H]1C ZINC000052476114 519749500 /nfs/dbraw/zinc/74/95/00/519749500.db2.gz QJSXBYXEHNEXDE-ZDUSSCGKSA-N 1 0 266.385 2.246 10 0 CEAERO CCCC1CCC([NH2+]CC(=O)N[C@@H](C)COC)CC1 ZINC000049545176 519898906 /nfs/dbraw/zinc/89/89/06/519898906.db2.gz UTCPNWZPBWXMDD-HSBZDZAISA-N 1 0 270.417 2.086 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N[C@@H](C)c1cc(F)ccc1OC ZINC000061292824 519905508 /nfs/dbraw/zinc/90/55/08/519905508.db2.gz NIDCCWYZDNVOIE-JTQLQIEISA-N 1 0 282.359 2.400 10 0 CEAERO CC[NH2+]CCS(=O)(=O)Nc1ccc(Cl)cc1Cl ZINC000049640688 519924607 /nfs/dbraw/zinc/92/46/07/519924607.db2.gz HUSIWVPDZMJCDX-UHFFFAOYSA-N 1 0 297.207 2.345 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N[C@@H](C)c1c(F)cccc1F ZINC000061234566 519936992 /nfs/dbraw/zinc/93/69/92/519936992.db2.gz ZHLPRSAJXXDAAN-ZJUUUORDSA-N 1 0 270.323 2.388 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N[C@@H](C)c1cc(F)ccc1F ZINC000061230846 519937332 /nfs/dbraw/zinc/93/73/32/519937332.db2.gz QNHMOZCUWDCJGN-ZJUUUORDSA-N 1 0 270.323 2.388 10 0 CEAERO CC[NH2+]Cc1cnc(N2CCC[C@H](OCC)C2)s1 ZINC000054909564 520015739 /nfs/dbraw/zinc/01/57/39/520015739.db2.gz ZYQSJYZGEBBKLZ-NSHDSACASA-N 1 0 269.414 2.258 10 0 CEAERO CC[NH2+]Cc1sc(N(CCOC)C2CC2)nc1CC ZINC000055000287 520032655 /nfs/dbraw/zinc/03/26/55/520032655.db2.gz MXUDZORKEGQHNS-UHFFFAOYSA-N 1 0 283.441 2.430 10 0 CEAERO CCCN[C@@](C)(C[C@H](C)[N@H+](C)CC1CC1)C(=O)OCC ZINC000068627760 520044078 /nfs/dbraw/zinc/04/40/78/520044078.db2.gz OFLKNLIURSVXGC-BBRMVZONSA-N 1 0 284.444 2.428 10 0 CEAERO CCCN[C@H](CC[N@H+](CC1CC1)C(C)C)C(=O)OCC ZINC000062525666 520070972 /nfs/dbraw/zinc/07/09/72/520070972.db2.gz FVNTWNIQXWCRJD-OAHLLOKOSA-N 1 0 284.444 2.428 10 0 CEAERO CCC[NH2+][C@H](CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)[O-] ZINC000062451507 520077425 /nfs/dbraw/zinc/07/74/25/520077425.db2.gz NMMULKPIGPNTKG-RRFJBIMHSA-N 1 0 282.428 2.341 10 0 CEAERO CCCCCCOC[C@]([NH2+]CCC)(C(N)=O)C1CC1 ZINC000069195222 520099636 /nfs/dbraw/zinc/09/96/36/520099636.db2.gz CGIKNHNFSIEKRC-OAHLLOKOSA-N 1 0 270.417 2.217 10 0 CEAERO CCC[NH2+][C@](C)(CCCSCC(C)C)C(N)=O ZINC000045547563 520105735 /nfs/dbraw/zinc/10/57/35/520105735.db2.gz NSYDSJBIYPKTID-CYBMUJFWSA-N 1 0 260.447 2.399 10 0 CEAERO CC[NH2+][C@H](CCN1CCOCC1)c1ccccc1C ZINC000054015549 520188811 /nfs/dbraw/zinc/18/88/11/520188811.db2.gz LFIRLSBAGMKTOF-MRXNPFEDSA-N 1 0 262.397 2.368 10 0 CEAERO CCCC[N@H+](C)C[C@](NC(C)C)(C(=O)OCC)C1CC1 ZINC000069088992 520415949 /nfs/dbraw/zinc/41/59/49/520415949.db2.gz XXLZGNOPLYLVSF-MRXNPFEDSA-N 1 0 284.444 2.428 10 0 CEAERO CC[N@H+](C[C@](NC(C)C)(C(=O)OC)C1CC1)C(C)C ZINC000069097161 521274757 /nfs/dbraw/zinc/27/47/57/521274757.db2.gz CXVWCQUFTZRALF-OAHLLOKOSA-N 1 0 270.417 2.037 10 0 CEAERO CCOc1cccc(C[NH2+]CC(C)C)c1OCCO ZINC000062732724 521363205 /nfs/dbraw/zinc/36/32/05/521363205.db2.gz WNFVWGDINBRANY-UHFFFAOYSA-N 1 0 267.369 2.202 10 0 CEAERO CCC(CC)N(CCOC)C(=O)[C@H]1CCC[C@H]([NH3+])[C@@H]1C ZINC000055133731 521556686 /nfs/dbraw/zinc/55/66/86/521556686.db2.gz OTFROSJKECKBMB-SNPRPXQTSA-N 1 0 284.444 2.414 10 0 CEAERO CCS(=O)(=O)CC[C@@]1(C[NH2+]C2CC2)C[C@H]2CC[C@@H]1C2 ZINC000054639148 521644790 /nfs/dbraw/zinc/64/47/90/521644790.db2.gz RKIOHLPVWYZBRC-GUTXKFCHSA-N 1 0 285.453 2.370 10 0 CEAERO CCNC(=O)[C@H](C)Oc1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000062728747 521745755 /nfs/dbraw/zinc/74/57/55/521745755.db2.gz XXYWZZXTBPJWQM-LBPRGKRZSA-N 1 0 278.396 2.478 10 0 CEAERO COCC[C@H]([NH3+])CN(C)Cc1cccc(Cl)c1 ZINC000052810802 521951007 /nfs/dbraw/zinc/95/10/07/521951007.db2.gz XPQRCWQZPRKWDA-ZDUSSCGKSA-N 1 0 256.777 2.136 10 0 CEAERO CC[C@@H](C)CNS(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000054489112 521997940 /nfs/dbraw/zinc/99/79/40/521997940.db2.gz VWMXNPKWDPVLHW-GHMZBOCLSA-N 1 0 270.398 2.031 10 0 CEAERO C[NH2+]CCc1nnc(Cc2ccc(Cl)cc2)o1 ZINC000050619600 522022952 /nfs/dbraw/zinc/02/29/52/522022952.db2.gz FGHLIVSDCFLWLI-UHFFFAOYSA-N 1 0 251.717 2.076 10 0 CEAERO C[NH2+]C[C@@H]1CC[C@@H](COc2cccc(Cl)c2)O1 ZINC000052674533 522057713 /nfs/dbraw/zinc/05/77/13/522057713.db2.gz QBCZPTBSBQXZNJ-STQMWFEESA-N 1 0 255.745 2.486 10 0 CEAERO CC[C@@H](C)N(CCOC)C(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050951474 522087506 /nfs/dbraw/zinc/08/75/06/522087506.db2.gz SVNXVTDIPGJCRY-KGLIPLIRSA-N 1 0 270.417 2.182 10 0 CEAERO C[NH2+]Cc1ccc(CN2CCO[C@H]3CCCC[C@@H]32)o1 ZINC000052573098 522115963 /nfs/dbraw/zinc/11/59/63/522115963.db2.gz DREQMONZSBGKHQ-GJZGRUSLSA-N 1 0 264.369 2.142 10 0 CEAERO C[NH2+]Cc1cccc(OC)c1OCCOC(C)C ZINC000049259092 522130395 /nfs/dbraw/zinc/13/03/95/522130395.db2.gz GETXNKIMONSSGO-UHFFFAOYSA-N 1 0 253.342 2.218 10 0 CEAERO COC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1cccs1 ZINC000053392076 522216531 /nfs/dbraw/zinc/21/65/31/522216531.db2.gz USVJJMATMPHBCI-NEPJUHHUSA-N 1 0 256.415 2.365 10 0 CEAERO CC[C@H]([NH3+])Cc1c(C)nn(C2CCOCC2)c1C ZINC000069311209 522331682 /nfs/dbraw/zinc/33/16/82/522331682.db2.gz NTQAVIGLNQCQHV-LBPRGKRZSA-N 1 0 251.374 2.131 10 0 CEAERO CCc1nc(N(C)C2CC[NH+](CC)CC2)sc1C=O ZINC000054967712 522379573 /nfs/dbraw/zinc/37/95/73/522379573.db2.gz UTGODVMDWJGAGO-UHFFFAOYSA-N 1 0 281.425 2.439 10 0 CEAERO C[NH2+][C@H](C)c1sc(N2C[C@@H](C)O[C@@H](C)C2)nc1C ZINC000054900433 522456126 /nfs/dbraw/zinc/45/61/26/522456126.db2.gz ZPUKXKFUCHNDCE-KXUCPTDWSA-N 1 0 269.414 2.346 10 0 CEAERO C[NH2+][C@](CSC1CCCC1)(C(N)=O)c1ccccc1 ZINC000062830951 522532742 /nfs/dbraw/zinc/53/27/42/522532742.db2.gz QYQBNTFMKDVXDZ-HNNXBMFYSA-N 1 0 278.421 2.262 10 0 CEAERO C[NH2+]CC[C@@H]1CCCCN1C(=O)Cc1cccs1 ZINC000070192030 517970621 /nfs/dbraw/zinc/97/06/21/517970621.db2.gz QEODZCVKIREKRP-LBPRGKRZSA-N 1 0 266.410 2.281 10 0 CEAERO CC(C)(C)[NH2+]Cc1cc(CN2CCO[C@H]3CCC[C@@H]32)on1 ZINC000052540237 518764537 /nfs/dbraw/zinc/76/45/37/518764537.db2.gz AIAZIULMVFWTKQ-GJZGRUSLSA-N 1 0 293.411 2.316 10 0 CEAERO CC(C)(C)[NH2+]Cc1ccccc1OCCn1cncn1 ZINC000052575129 518766082 /nfs/dbraw/zinc/76/60/82/518766082.db2.gz XPNNYSZVDNPUCY-UHFFFAOYSA-N 1 0 274.368 2.245 10 0 CEAERO CC(C)(C)[NH2+]Cc1ccccc1N1CCC[C@H](C(N)=O)C1 ZINC000062734026 518766164 /nfs/dbraw/zinc/76/61/64/518766164.db2.gz CBWDWOYLGOEJJX-AWEZNQCLSA-N 1 0 289.423 2.276 10 0 CEAERO CC(C)(C)[NH2+]Cc1cnn(CC2CCOCC2)c1 ZINC000054720160 518767791 /nfs/dbraw/zinc/76/77/91/518767791.db2.gz QBTCGLNQYGCJOL-UHFFFAOYSA-N 1 0 251.374 2.198 10 0 CEAERO CC(C)(C)[NH2+]Cc1nnnn1-c1ccc(Cl)cc1F ZINC000054762729 518767882 /nfs/dbraw/zinc/76/78/82/518767882.db2.gz QXBRWBDIXBXIJR-UHFFFAOYSA-N 1 0 283.738 2.343 10 0 CEAERO CC(C)(C[NH3+])NC(=O)c1c(Cl)cccc1Cl ZINC000063020217 519234052 /nfs/dbraw/zinc/23/40/52/519234052.db2.gz JWWBAMHIWORDEB-UHFFFAOYSA-N 1 0 261.152 2.461 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CCc1cccc(N)c1 ZINC000049561760 519336192 /nfs/dbraw/zinc/33/61/92/519336192.db2.gz QZFGMCDVXZMFED-MRXNPFEDSA-N 1 0 291.439 2.294 10 0 CEAERO CC(C)C[C@H](CN(C)C)[NH2+]CC(=O)NC1CCCCC1 ZINC000049556041 519340776 /nfs/dbraw/zinc/34/07/76/519340776.db2.gz GIZGWLYXPYGGGA-OAHLLOKOSA-N 1 0 283.460 2.001 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NS(=O)(=O)Cc1ccccc1 ZINC000184792946 519343477 /nfs/dbraw/zinc/34/34/77/519343477.db2.gz PZFNLDNASPOTAO-OAHLLOKOSA-N 1 0 298.452 2.082 10 0 CEAERO CC(C)N(CC[NH3+])C(=O)[C@@H]1CCCc2ccccc21 ZINC000054668350 519646047 /nfs/dbraw/zinc/64/60/47/519646047.db2.gz MEBCGIRCASRVDT-OAHLLOKOSA-N 1 0 260.381 2.302 10 0 CEAERO CC(C)CCN(C)Cc1[nH+]c(NN)ccc1Cl ZINC000061638644 519650544 /nfs/dbraw/zinc/65/05/44/519650544.db2.gz PQDIXBKGYNADQK-UHFFFAOYSA-N 1 0 256.781 2.499 10 0 CEAERO CC(C)N1CCN(c2ccc(C(N)=[NH2+])cc2Cl)CC1 ZINC000062794038 519683401 /nfs/dbraw/zinc/68/34/01/519683401.db2.gz ZASUUUKHCWBPAH-UHFFFAOYSA-N 1 0 280.803 2.154 10 0 CEAERO CC(C)C[NH+](CC(C)C)CC1(CO)CCOCC1 ZINC000052199506 519713436 /nfs/dbraw/zinc/71/34/36/519713436.db2.gz SVFIRGTVIADDMA-UHFFFAOYSA-N 1 0 257.418 2.390 10 0 CEAERO CC(C)NC(=O)[C@H](C)[NH2+]CCc1cc(F)cc(F)c1 ZINC000060718561 519715198 /nfs/dbraw/zinc/71/51/98/519715198.db2.gz FDSRKKAENQSRSH-JTQLQIEISA-N 1 0 270.323 2.010 10 0 CEAERO CC(C)NC(=O)[C@H](C)Oc1cc(F)ccc1[C@H](C)[NH3+] ZINC000062745719 519715445 /nfs/dbraw/zinc/71/54/45/519715445.db2.gz KWDFLFOCEJVBPK-UWVGGRQHSA-N 1 0 268.332 2.137 10 0 CEAERO CC(=O)Nc1ccc(C[NH2+][C@@H](CN(C)C)C(C)C)cc1 ZINC000049195314 519717775 /nfs/dbraw/zinc/71/77/75/519717775.db2.gz UGSAPSGUUMSYRX-INIZCTEOSA-N 1 0 277.412 2.321 10 0 CEAERO CC(C)[NH2+]CC1CCN(c2ncnc3c2CCC3)CC1 ZINC000061278209 519720101 /nfs/dbraw/zinc/72/01/01/519720101.db2.gz FTSVWUCICDIBNW-UHFFFAOYSA-N 1 0 274.412 2.180 10 0 CEAERO CC(C)[NH2+]C[C@@H](c1ccccc1)N1CCO[C@@H](C)C1 ZINC000052382763 519723126 /nfs/dbraw/zinc/72/31/26/519723126.db2.gz DHBPELWSCHLQCN-HOCLYGCPSA-N 1 0 262.397 2.446 10 0 CEAERO CC(C)C[NH+]1CCN(C[C@](C)(CO)c2ccccc2)CC1 ZINC000055082273 519726423 /nfs/dbraw/zinc/72/64/23/519726423.db2.gz NQONUQAOOHNTMZ-GOSISDBHSA-N 1 0 290.451 2.210 10 0 CEAERO CC(C)[NH2+]Cc1ccc(N2CCSCC2)nc1 ZINC000051438012 519726666 /nfs/dbraw/zinc/72/66/66/519726666.db2.gz MHCLNXWIFBIKMO-UHFFFAOYSA-N 1 0 251.399 2.133 10 0 CEAERO CC(C)[NH2+]Cc1nnnn1[C@@H](c1cccs1)C(C)C ZINC000054747585 519729469 /nfs/dbraw/zinc/72/94/69/519729469.db2.gz GAJGBIASXFSLDC-CYBMUJFWSA-N 1 0 279.413 2.478 10 0 CEAERO CC(C)[NH2+]Cc1nnnn1-c1cccc2c1CCCC2 ZINC000054745020 519729773 /nfs/dbraw/zinc/72/97/73/519729773.db2.gz VTRWTBNPEHYXEA-UHFFFAOYSA-N 1 0 271.368 2.039 10 0 CEAERO CC(C)CNC(=O)[C@@H](C)Oc1cc(F)ccc1[C@H](C)[NH3+] ZINC000062745668 519738746 /nfs/dbraw/zinc/73/87/46/519738746.db2.gz LOZQZUUVRNEGDZ-WDEREUQCSA-N 1 0 282.359 2.385 10 0 CEAERO CC(C)C[NH2+]C[C@@H]1CC[C@@H](COCC(F)(F)F)O1 ZINC000052601667 519745307 /nfs/dbraw/zinc/74/53/07/519745307.db2.gz HXVHTKCJFNLTHF-QWRGUYRKSA-N 1 0 269.307 2.359 10 0 CEAERO CC(C)C[NH2+]Cc1ccoc1CN1CCO[C@@H](C)C1 ZINC000052382351 519747891 /nfs/dbraw/zinc/74/78/91/519747891.db2.gz XQGCWCHYAGFTOA-ZDUSSCGKSA-N 1 0 266.385 2.246 10 0 CEAERO CC(C)C[C@@H](CN(C)C)[NH2+][C@H]1CCCCC[C@@H]1O ZINC000049555485 519776057 /nfs/dbraw/zinc/77/60/57/519776057.db2.gz IENZHONZQZGUBZ-KKUMJFAQSA-N 1 0 256.434 2.246 10 0 CEAERO CC(C)[C@@H](CN(C)C)[NH2+]CC(=O)Nc1c(F)cccc1F ZINC000049204997 519793617 /nfs/dbraw/zinc/79/36/17/519793617.db2.gz IXVWNDZFAGRCJU-CYBMUJFWSA-N 1 0 299.365 2.079 10 0 CEAERO CC(C)[C@@H](CN(C)C)[NH2+]Cc1cccc2c1OCO2 ZINC000049197697 519793724 /nfs/dbraw/zinc/79/37/24/519793724.db2.gz NKGQCMUCTRWUGP-CYBMUJFWSA-N 1 0 264.369 2.091 10 0 CEAERO CC(C)[C@@H](CN(C)C)[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000049198932 519793836 /nfs/dbraw/zinc/79/38/36/519793836.db2.gz NWLDEZKICKCJHU-OAHLLOKOSA-N 1 0 287.411 2.148 10 0 CEAERO CC(C)[C@@H]([NH3+])c1noc(-c2ccc3nccnc3c2)n1 ZINC000061418808 519796388 /nfs/dbraw/zinc/79/63/88/519796388.db2.gz TUPICRWENQQVDA-GFCCVEGCSA-N 1 0 269.308 2.336 10 0 CEAERO CC(C)[C@@H](NC(=O)[C@@H]1CC[NH2+]C1)c1cccs1 ZINC000062113860 519797890 /nfs/dbraw/zinc/79/78/90/519797890.db2.gz AMGPZLBNJSRFKH-ZYHUDNBSSA-N 1 0 252.383 2.171 10 0 CEAERO CC(C)[C@@H](NC(=O)[C@H](C)C[NH3+])c1ccc(F)cc1 ZINC000054338708 519798019 /nfs/dbraw/zinc/79/80/19/519798019.db2.gz GIJHGVRUQDGJHY-ZWNOBZJWSA-N 1 0 252.333 2.234 10 0 CEAERO CC(C)[C@@H]1CC[C@@H](C)c2c(N3CC[NH2+]CC3)n[nH]c21 ZINC000062670033 519803360 /nfs/dbraw/zinc/80/33/60/519803360.db2.gz AYFHULBOIPESKI-NEPJUHHUSA-N 1 0 262.401 2.456 10 0 CEAERO CC(C)[C@@H]1CN(CCn2cccn2)C2(CCCC2)C[NH2+]1 ZINC000068704645 519804292 /nfs/dbraw/zinc/80/42/92/519804292.db2.gz PZIOSROWLATFAL-HNNXBMFYSA-N 1 0 276.428 2.126 10 0 CEAERO CC(C)[C@H](C)C(=O)N(CC(F)(F)F)C1CC[NH2+]CC1 ZINC000070122518 519810248 /nfs/dbraw/zinc/81/02/48/519810248.db2.gz UQEXXIOSDVBDSE-JTQLQIEISA-N 1 0 280.334 2.421 10 0 CEAERO CC(C)[C@H](CN(C)C)[NH2+]CCCOCC(F)(F)F ZINC000049312469 519814377 /nfs/dbraw/zinc/81/43/77/519814377.db2.gz FVMCHJWYTKLTHY-NSHDSACASA-N 1 0 270.339 2.131 10 0 CEAERO CC(C)[C@H]([NH3+])c1noc(-c2ccc3nccnc3c2)n1 ZINC000061418806 519817824 /nfs/dbraw/zinc/81/78/24/519817824.db2.gz TUPICRWENQQVDA-LBPRGKRZSA-N 1 0 269.308 2.336 10 0 CEAERO CC(C)[C@H]1CC[C@@H](O)[C@H]([N@@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000061652564 519825825 /nfs/dbraw/zinc/82/58/25/519825825.db2.gz PEBFIHRRDRKQIQ-ZJIFWQFVSA-N 1 0 268.445 2.198 10 0 CEAERO CCC[NH+]1CCC(NC(=O)c2ccc(NC)cc2)CC1 ZINC000050790069 519846606 /nfs/dbraw/zinc/84/66/06/519846606.db2.gz NRHDSTQMHBUUGL-UHFFFAOYSA-N 1 0 275.396 2.333 10 0 CEAERO CCC1CCC(C[NH3+])(N(C)CC(=O)NC(C)(C)C)CC1 ZINC000050089624 519850454 /nfs/dbraw/zinc/85/04/54/519850454.db2.gz URUCUZDOVNTDSJ-UHFFFAOYSA-N 1 0 283.460 2.131 10 0 CEAERO CCC1CCC([N@H+](C)CC[C@H](NC(C)C)C(N)=O)CC1 ZINC000062525927 519853557 /nfs/dbraw/zinc/85/35/57/519853557.db2.gz PCKNAVQGYUVNQL-NRXISQOPSA-N 1 0 283.460 2.129 10 0 CEAERO CCCNC(=O)N1CC[N@H+](CCc2ccccc2)[C@H](C)C1 ZINC000062691198 519883577 /nfs/dbraw/zinc/88/35/77/519883577.db2.gz SHJLBPNHGGHUQQ-OAHLLOKOSA-N 1 0 289.423 2.355 10 0 CEAERO CCCC1(C(=O)Nc2ccc(OC)nc2)CC[NH2+]CC1 ZINC000062847706 519888540 /nfs/dbraw/zinc/88/85/40/519888540.db2.gz PWYYIZRWOAYJJV-UHFFFAOYSA-N 1 0 277.368 2.199 10 0 CEAERO CCCNC(=O)[C@H](C)Oc1cccc2c1CC[C@H]2[NH2+]C ZINC000062799279 519893873 /nfs/dbraw/zinc/89/38/73/519893873.db2.gz YRVUIVNUNZLSRV-SMDDNHRTSA-N 1 0 276.380 2.187 10 0 CEAERO CCCNC(=O)[C@H](C[NH3+])Cc1cccc2ccccc21 ZINC000050304060 519895051 /nfs/dbraw/zinc/89/50/51/519895051.db2.gz PQAQCIRHHDJJIC-HNNXBMFYSA-N 1 0 270.376 2.483 10 0 CEAERO CCCC1CCC(NS(=O)(=O)CCCC[NH3+])CC1 ZINC000049546329 519898599 /nfs/dbraw/zinc/89/85/99/519898599.db2.gz VKQOBSVLZUHVBL-UHFFFAOYSA-N 1 0 276.446 2.004 10 0 CEAERO CCCC1CC[NH+](CCC[C@@](C)(NC)C(=O)OC)CC1 ZINC000050905771 519901072 /nfs/dbraw/zinc/90/10/72/519901072.db2.gz YEKXNPZOROJWHB-MRXNPFEDSA-N 1 0 284.444 2.430 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N1CCCc2cc(OC)ccc21 ZINC000061298730 519904512 /nfs/dbraw/zinc/90/45/12/519904512.db2.gz FGTRPEPLBLGACM-UHFFFAOYSA-N 1 0 276.380 2.363 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)NCc1ccc(F)c(Cl)c1 ZINC000061299508 519905258 /nfs/dbraw/zinc/90/52/58/519905258.db2.gz YDAXURXCUFYYQU-UHFFFAOYSA-N 1 0 272.751 2.483 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N[C@H](C)Cc1c(F)cccc1F ZINC000061293616 519905951 /nfs/dbraw/zinc/90/59/51/519905951.db2.gz NZDAYRRJXKNCBC-SNVBAGLBSA-N 1 0 284.350 2.400 10 0 CEAERO CCC[NH2+]CCCc1cnn(-c2ccc(Cl)nn2)c1 ZINC000054670222 519913878 /nfs/dbraw/zinc/91/38/78/519913878.db2.gz CYURQHLSBKOSEG-UHFFFAOYSA-N 1 0 279.775 2.248 10 0 CEAERO CC[NH2+]CCC(=O)N(C)Cc1ccccc1Cl ZINC000061293980 519915276 /nfs/dbraw/zinc/91/52/76/519915276.db2.gz HEAMEWXRADQBHM-UHFFFAOYSA-N 1 0 254.761 2.298 10 0 CEAERO CC[NH2+]CCC(=O)N1CCC[C@H]1c1ccc(OC)cc1 ZINC000061294065 519915818 /nfs/dbraw/zinc/91/58/18/519915818.db2.gz RPRDMLKSDUKLAS-HNNXBMFYSA-N 1 0 276.380 2.358 10 0 CEAERO CC[NH2+]CCC(=O)N1CCC(Oc2ccccc2)CC1 ZINC000061293268 519915927 /nfs/dbraw/zinc/91/59/27/519915927.db2.gz BIKKQGOLIRQSLN-UHFFFAOYSA-N 1 0 276.380 2.056 10 0 CEAERO CC[NH2+]CCC(=O)NCc1ccc(Br)cc1 ZINC000061287941 519916701 /nfs/dbraw/zinc/91/67/01/519916701.db2.gz PLFHTICBTLJEBU-UHFFFAOYSA-N 1 0 285.185 2.065 10 0 CEAERO CC[NH2+]CCC(=O)N[C@@H](C)c1ccc(OC)c(F)c1 ZINC000061292255 519916739 /nfs/dbraw/zinc/91/67/39/519916739.db2.gz NVIPBFAFHGPGLH-JTQLQIEISA-N 1 0 268.332 2.011 10 0 CEAERO CC[NH2+]CCC(=O)NCc1cccc(C(F)(F)F)c1 ZINC000061286936 519916826 /nfs/dbraw/zinc/91/68/26/519916826.db2.gz HACCVDPIKDOPHI-UHFFFAOYSA-N 1 0 274.286 2.321 10 0 CEAERO CCC[NH2+]CCc1c(C)nc(C[C@H]2CCCO2)nc1C ZINC000054853756 519919474 /nfs/dbraw/zinc/91/94/74/519919474.db2.gz CCDTVABQFRVVHL-CQSZACIVSA-N 1 0 277.412 2.357 10 0 CEAERO CCC[NH2+]C[C@@H](O)CN(C)c1cc(C)cc(C)c1 ZINC000049985842 519922059 /nfs/dbraw/zinc/92/20/59/519922059.db2.gz IIDXZIHAXFBPME-OAHLLOKOSA-N 1 0 250.386 2.100 10 0 CEAERO CC[NH2+]CCNC(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000151419105 519922626 /nfs/dbraw/zinc/92/26/26/519922626.db2.gz HHJLLACMQRSTDN-ZJUUUORDSA-N 1 0 284.762 2.308 10 0 CEAERO CC(C)n1c(Sc2ccccc2[C@@H](C)[NH3+])n[nH]c1=O ZINC000061595925 519925910 /nfs/dbraw/zinc/92/59/10/519925910.db2.gz WMVGSECLSGOBPR-SECBINFHSA-N 1 0 278.381 2.323 10 0 CEAERO CC[NH2+]CCc1nc2cc(Br)ccc2n1C ZINC000051784319 519927308 /nfs/dbraw/zinc/92/73/08/519927308.db2.gz DOUHYXVHHFQQQO-UHFFFAOYSA-N 1 0 282.185 2.488 10 0 CEAERO CC[NH2+]CCc1nnc(-c2cccc3cccnc32)o1 ZINC000061439503 519929991 /nfs/dbraw/zinc/92/99/91/519929991.db2.gz KZDUCMPCJDSTBE-UHFFFAOYSA-N 1 0 268.320 2.437 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N(C)Cc1ccc(F)cc1F ZINC000061235843 519931861 /nfs/dbraw/zinc/93/18/61/519931861.db2.gz ZBGOALOECODBCK-SNVBAGLBSA-N 1 0 270.323 2.169 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N(CC)Cc1cccc(F)c1 ZINC000061235455 519932975 /nfs/dbraw/zinc/93/29/75/519932975.db2.gz OXLQZPBKVXJQKG-GFCCVEGCSA-N 1 0 266.360 2.420 10 0 CEAERO CCC[NH2+]C[C@H]1CCCN(c2nccn(C(C)C)c2=O)C1 ZINC000061775519 519934271 /nfs/dbraw/zinc/93/42/71/519934271.db2.gz JLIBMINVJSTUBQ-CQSZACIVSA-N 1 0 292.427 2.040 10 0 CEAERO CCC[NH2+]C[C@H]1CCCCN1c1nccn(CCC)c1=O ZINC000061775211 519935214 /nfs/dbraw/zinc/93/52/14/519935214.db2.gz IBWNGTCDIDFUAO-CQSZACIVSA-N 1 0 292.427 2.012 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccc(F)cc1OC ZINC000061267814 519940403 /nfs/dbraw/zinc/94/04/03/519940403.db2.gz LHRUNHZIDQEHJC-SECBINFHSA-N 1 0 254.305 2.018 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccccc1-c1nc(C)no1 ZINC000061231015 519941319 /nfs/dbraw/zinc/94/13/19/519941319.db2.gz FIEUBENRZMQXAM-SNVBAGLBSA-N 1 0 288.351 2.229 10 0 CEAERO CCC[NH2+]Cc1c(C)nn(CC2CCOCC2)c1C ZINC000052174718 519941505 /nfs/dbraw/zinc/94/15/05/519941505.db2.gz YODFZGVAISDQNI-UHFFFAOYSA-N 1 0 265.401 2.426 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000061230939 519941642 /nfs/dbraw/zinc/94/16/42/519941642.db2.gz SFUYZJHZNIIWBM-SNVBAGLBSA-N 1 0 278.352 2.378 10 0 CEAERO CC[NH2+]C[C@@H](C)CN1CCN(c2cccc(OC)c2)CC1 ZINC000052423687 519943704 /nfs/dbraw/zinc/94/37/04/519943704.db2.gz OSUUBYNVMLDGMT-OAHLLOKOSA-N 1 0 291.439 2.063 10 0 CEAERO CC[NH2+]C[C@@H](CC)N1CCc2cc(OC)c(OC)cc2C1 ZINC000052417234 519944888 /nfs/dbraw/zinc/94/48/88/519944888.db2.gz INDWMTUZZGEVQL-OAHLLOKOSA-N 1 0 292.423 2.450 10 0 CEAERO CC[NH2+]C[C@@H](CCC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000052950784 519945070 /nfs/dbraw/zinc/94/50/70/519945070.db2.gz FKVLNAIHPMJMGX-OLZOCXBDSA-N 1 0 275.458 2.473 10 0 CEAERO CCC[NH2+]Cc1ccc(OC)cc1OCCC(=O)OC ZINC000069317300 519950527 /nfs/dbraw/zinc/95/05/27/519950527.db2.gz QLOSCPWSTSYOIS-UHFFFAOYSA-N 1 0 281.352 2.137 10 0 CEAERO CCC[NH2+]Cc1cccc(OC[C@@H](O)C(F)(F)F)c1 ZINC000068876136 519954155 /nfs/dbraw/zinc/95/41/55/519954155.db2.gz DNMHEZLUKRPGIN-GFCCVEGCSA-N 1 0 277.286 2.488 10 0 CEAERO CC[NH2+]C[C@@H]1CC[C@H](COCCc2scnc2C)O1 ZINC000052623612 519955923 /nfs/dbraw/zinc/95/59/23/519955923.db2.gz CMCZALFBSJSTFO-QWHCGFSZSA-N 1 0 284.425 2.168 10 0 CEAERO CCC[NH2+]Cc1ccccc1OC[C@H](O)C(F)(F)F ZINC000068875948 519956369 /nfs/dbraw/zinc/95/63/69/519956369.db2.gz CCAHYSLBVAJMQJ-LBPRGKRZSA-N 1 0 277.286 2.488 10 0 CEAERO CCC[NH2+]Cc1ccccc1OCCN1CCO[C@@H](C)C1 ZINC000052382478 519956958 /nfs/dbraw/zinc/95/69/58/519956958.db2.gz NNGALUNHSJCOLT-HNNXBMFYSA-N 1 0 292.423 2.286 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N(CCCOCC)CC(F)(F)F ZINC000061236646 519958868 /nfs/dbraw/zinc/95/88/68/519958868.db2.gz WYBXJRIBVURDIC-NSHDSACASA-N 1 0 298.349 2.050 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N(CC)c1ccc(F)cc1 ZINC000061268136 519959505 /nfs/dbraw/zinc/95/95/05/519959505.db2.gz QXQNULCEDPSVIA-NSHDSACASA-N 1 0 252.333 2.424 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N(Cc1ccccn1)C(C)C ZINC000061236963 519960628 /nfs/dbraw/zinc/96/06/28/519960628.db2.gz DWJLHXJTLGGMNN-ZDUSSCGKSA-N 1 0 263.385 2.064 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N[C@@H](C)c1cc(C)oc1C ZINC000061268000 519963164 /nfs/dbraw/zinc/96/31/64/519963164.db2.gz KHDBTSHJRISYCH-ONGXEEELSA-N 1 0 252.358 2.319 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccc(OC)c(C)c1 ZINC000061267776 519967211 /nfs/dbraw/zinc/96/72/11/519967211.db2.gz VCZWIUCCGVFMBT-NSHDSACASA-N 1 0 250.342 2.188 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccccc1C(=O)OCC ZINC000061267248 519968204 /nfs/dbraw/zinc/96/82/04/519968204.db2.gz AKLGYEZJTQKMOI-NSHDSACASA-N 1 0 278.352 2.047 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1cccc(C(=O)NC(C)C)c1 ZINC000061231981 519968665 /nfs/dbraw/zinc/96/86/65/519968665.db2.gz WOQGKNZASIOKTC-LBPRGKRZSA-N 1 0 291.395 2.009 10 0 CEAERO CC[NH2+]C[C@H](Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000052950356 519973326 /nfs/dbraw/zinc/97/33/26/519973326.db2.gz GHRLXGAHNQUDBG-KBPBESRZSA-N 1 0 299.411 2.029 10 0 CEAERO CC[NH2+]C[C@H](OC[C@@H]1CCOC1)c1ccc(OC)cc1 ZINC000050501230 519974212 /nfs/dbraw/zinc/97/42/12/519974212.db2.gz OEYISLBHUOUZID-CJNGLKHVSA-N 1 0 279.380 2.399 10 0 CEAERO CC[NH2+]C[C@](CC)(c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000054659277 519983212 /nfs/dbraw/zinc/98/32/12/519983212.db2.gz QHQNKVKUNKQMFD-JKSUJKDBSA-N 1 0 295.448 2.379 10 0 CEAERO CC[NH2+]C[C@](C)(CC)Oc1cccc(S(C)(=O)=O)c1 ZINC000051959660 519983482 /nfs/dbraw/zinc/98/34/82/519983482.db2.gz GDQHPSNWMGNSAJ-AWEZNQCLSA-N 1 0 285.409 2.247 10 0 CEAERO CC[NH2+]Cc1c(C)nn([C@H]2CCCCC[C@@H]2O)c1C ZINC000054600448 519984822 /nfs/dbraw/zinc/98/48/22/519984822.db2.gz HRDRGGKUHWHQNZ-GJZGRUSLSA-N 1 0 265.401 2.476 10 0 CEAERO CC[NH2+]Cc1cc(Cl)ccc1OCCC(=O)OC ZINC000069316932 519990507 /nfs/dbraw/zinc/99/05/07/519990507.db2.gz KJPVXFPETPUVFG-UHFFFAOYSA-N 1 0 271.744 2.391 10 0 CEAERO CCC[NH2+][C@@H](CS(C)(=O)=O)c1cncc2ccccc21 ZINC000069270544 520011564 /nfs/dbraw/zinc/01/15/64/520011564.db2.gz JZJBMTQFKUMFTF-HNNXBMFYSA-N 1 0 292.404 2.320 10 0 CEAERO CC[NH2+]Cc1cnc(N2C[C@@H](C)OC[C@@H]2CC)s1 ZINC000054908773 520014899 /nfs/dbraw/zinc/01/48/99/520014899.db2.gz OCFJWISHHRJBCW-MNOVXSKESA-N 1 0 269.414 2.256 10 0 CEAERO CC[NH2+]Cc1cnc(Cc2cc(F)cc(F)c2)nc1 ZINC000054855761 520016103 /nfs/dbraw/zinc/01/61/03/520016103.db2.gz YRHTWEHJVWEOJM-UHFFFAOYSA-N 1 0 263.291 2.455 10 0 CEAERO CC[NH2+]Cc1oc2ccccc2c1CN1CCOCC1 ZINC000052377782 520031114 /nfs/dbraw/zinc/03/11/14/520031114.db2.gz XEVRQWKEYQZEGT-UHFFFAOYSA-N 1 0 274.364 2.375 10 0 CEAERO CC[NH2+]Cc1sc(N2CCOC[C@@H]2CC)nc1C ZINC000054997907 520034493 /nfs/dbraw/zinc/03/44/93/520034493.db2.gz ZHGWBVFUYSEWOJ-NSHDSACASA-N 1 0 269.414 2.176 10 0 CEAERO CCCN[C@@](C[N@H+](C)CCC(C)C)(C(=O)OC)C1CC1 ZINC000069183694 520049868 /nfs/dbraw/zinc/04/98/68/520049868.db2.gz NDTFFRJQBUPOKF-MRXNPFEDSA-N 1 0 284.444 2.286 10 0 CEAERO CCCN[C@@](C[N@H+](CC)CC(C)C)(C(=O)OC)C1CC1 ZINC000069096774 520050088 /nfs/dbraw/zinc/05/00/88/520050088.db2.gz VNWZHMDLUJAKTP-MRXNPFEDSA-N 1 0 284.444 2.286 10 0 CEAERO CCC[NH2+][C@H](C)[C@@H]1CCCN(c2ccnc(N(C)C)n2)C1 ZINC000068689903 520064056 /nfs/dbraw/zinc/06/40/56/520064056.db2.gz IYFOKJGICOKEFX-ZIAGYGMSSA-N 1 0 291.443 2.147 10 0 CEAERO CCOCC[C@H]([NH2+]C)c1ccc(OC)c(OC)c1 ZINC000053789143 520066833 /nfs/dbraw/zinc/06/68/33/520066833.db2.gz XAIXGAHQJXXDMM-LBPRGKRZSA-N 1 0 253.342 2.391 10 0 CEAERO CCC[NH2+][C@H](C)c1cnc(N2CCN(C3CC3)CC2)s1 ZINC000054909515 520067413 /nfs/dbraw/zinc/06/74/13/520067413.db2.gz FVGHSASZPMMRMK-GFCCVEGCSA-N 1 0 294.468 2.488 10 0 CEAERO CCCN[C@H](CC[N@H+](C)C(CC)CC)C(=O)OCC ZINC000062448813 520069087 /nfs/dbraw/zinc/06/90/87/520069087.db2.gz HRZMVXSOMZQNPC-CQSZACIVSA-N 1 0 272.433 2.428 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)NC2CCC2)cc1 ZINC000052212666 520078436 /nfs/dbraw/zinc/07/84/36/520078436.db2.gz REFUBGBHHMZOMJ-NSHDSACASA-N 1 0 282.409 2.188 10 0 CEAERO CC[NH2+][C@@H](CC)c1c(C)nn(Cc2cnn(C)c2)c1C ZINC000054718895 520081508 /nfs/dbraw/zinc/08/15/08/520081508.db2.gz PJVJZASHDBKBRQ-AWEZNQCLSA-N 1 0 275.400 2.342 10 0 CEAERO CCC[NH2+][C@H](CN1CCN(C)C1=O)c1ccc(OC)cc1 ZINC000052885770 520083107 /nfs/dbraw/zinc/08/31/07/520083107.db2.gz CHZVNMDEHGBDDB-OAHLLOKOSA-N 1 0 291.395 2.103 10 0 CEAERO CCC[NH2+][C@H](c1ccc(OC)cc1OC)[C@H]1COCCO1 ZINC000055300542 520090124 /nfs/dbraw/zinc/09/01/24/520090124.db2.gz JRVMEAPNJLPIEN-HZPDHXFCSA-N 1 0 295.379 2.160 10 0 CEAERO CCC[NH2+][C@H]1CCCC[C@@H]1CCCS(C)(=O)=O ZINC000063015808 520092036 /nfs/dbraw/zinc/09/20/36/520092036.db2.gz ISGZLSYURASSCW-OLZOCXBDSA-N 1 0 261.431 2.370 10 0 CEAERO CC[NH2+][C@@H](CCOc1cccc2ccccc21)C(N)=O ZINC000062550495 520095212 /nfs/dbraw/zinc/09/52/12/520095212.db2.gz IJOIMZOCWPCJEO-AWEZNQCLSA-N 1 0 272.348 2.072 10 0 CEAERO CCCCCCOC[C@H](O)C[NH2+]CCCSC ZINC000069446537 520100585 /nfs/dbraw/zinc/10/05/85/520100585.db2.gz ZNSKIZVMLITBIH-CYBMUJFWSA-N 1 0 263.447 2.287 10 0 CEAERO CCN(C(=O)c1cccnc1OC)c1ccc(C[NH3+])cc1 ZINC000061442357 520105014 /nfs/dbraw/zinc/10/50/14/520105014.db2.gz LXRKIPVYRHAEQG-UHFFFAOYSA-N 1 0 285.347 2.216 10 0 CEAERO CCC[NH2+][C@](C)(C[C@@H](C)N1Cc2ccccc2C1)C(N)=O ZINC000068641968 520112498 /nfs/dbraw/zinc/11/24/98/520112498.db2.gz LOLZMQKLYYXBNK-CXAGYDPISA-N 1 0 289.423 2.024 10 0 CEAERO CC[NH2+][C@@H]1COc2cc(OCc3nc(C)no3)ccc21 ZINC000062804659 520123884 /nfs/dbraw/zinc/12/38/84/520123884.db2.gz JORUNIKKBMNLFG-GFCCVEGCSA-N 1 0 275.308 2.000 10 0 CEAERO CC[NH2+][C@@H]1COc2cc(OCc3nnc(C)o3)ccc21 ZINC000062804667 520124965 /nfs/dbraw/zinc/12/49/65/520124965.db2.gz RPBQDMZBGNAGTQ-GFCCVEGCSA-N 1 0 275.308 2.000 10 0 CEAERO CC[NH2+][C@@](C)(C[C@@H](C)Oc1cc(C)ccc1C)C(N)=O ZINC000068655935 520141756 /nfs/dbraw/zinc/14/17/56/520141756.db2.gz HAAGUDBMKAIQSA-CJNGLKHVSA-N 1 0 278.396 2.314 10 0 CEAERO CCCNc1ccc(C(=O)N[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000050773017 520148707 /nfs/dbraw/zinc/14/87/07/520148707.db2.gz UKQSSTJZVZIDBU-OAHLLOKOSA-N 1 0 275.396 2.333 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)NCc1ccc(C)c(F)c1 ZINC000061269550 520165857 /nfs/dbraw/zinc/16/58/57/520165857.db2.gz MIGIGXHACKHYPC-LLVKDONJSA-N 1 0 252.333 2.138 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000061270869 520166780 /nfs/dbraw/zinc/16/67/80/520166780.db2.gz HFGWZLBCBOQVQG-NEPJUHHUSA-N 1 0 292.379 2.023 10 0 CEAERO CCCNc1ccccc1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000050770035 520177509 /nfs/dbraw/zinc/17/75/09/520177509.db2.gz 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520338286 /nfs/dbraw/zinc/33/82/86/520338286.db2.gz NPSYCGLJNHQCQK-UHFFFAOYSA-N 1 0 263.385 2.188 10 0 CEAERO CCCOc1ccc(OCC[NH2+][C@@H](C)COC)cc1 ZINC000049799913 520408176 /nfs/dbraw/zinc/40/81/76/520408176.db2.gz FSQMOFUPXSKXBH-ZDUSSCGKSA-N 1 0 267.369 2.479 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cnccn2)C12CCOCC2 ZINC000185005409 520433909 /nfs/dbraw/zinc/43/39/09/520433909.db2.gz JXQULDOZUFBOQX-AEGPPILISA-N 1 0 291.395 2.101 10 0 CEAERO CCCOc1cccc(C(=O)N(CCC)CC[NH3+])c1 ZINC000061667235 520440793 /nfs/dbraw/zinc/44/07/93/520440793.db2.gz QHIKYCNILZFHDW-UHFFFAOYSA-N 1 0 264.369 2.286 10 0 CEAERO CCCOc1ccccc1OC[C@H](C[NH3+])OCC ZINC000062740263 520486127 /nfs/dbraw/zinc/48/61/27/520486127.db2.gz OJIUYDHEUJZEEN-LBPRGKRZSA-N 1 0 253.342 2.218 10 0 CEAERO CC1(C)CN([C@@H](C[NH3+])c2cccc3cccnc32)CCO1 ZINC000069502517 520493154 /nfs/dbraw/zinc/49/31/54/520493154.db2.gz LMCLZMSROXITIA-HNNXBMFYSA-N 1 0 285.391 2.345 10 0 CEAERO CCCOc1nc(Cl)nc(NCC(C)(C)[NH+](C)C)n1 ZINC000061540608 520493728 /nfs/dbraw/zinc/49/37/28/520493728.db2.gz MAKCXXUSSCTGTD-UHFFFAOYSA-N 1 0 287.795 2.066 10 0 CEAERO CC1(C)COCCN1Cc1occc1C[NH2+]C1CC1 ZINC000052546082 520507650 /nfs/dbraw/zinc/50/76/50/520507650.db2.gz LSKXUFJOSLGGGP-UHFFFAOYSA-N 1 0 264.369 2.142 10 0 CEAERO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccnc(NC)c1 ZINC000050721486 520629071 /nfs/dbraw/zinc/62/90/71/520629071.db2.gz BUUFHQQFTKNHQF-CYBMUJFWSA-N 1 0 292.427 2.364 10 0 CEAERO CC[NH+](CC)CCN[C@]1(C(=O)OC)C[C@H](C)CC[C@@H]1C ZINC000068631269 520690132 /nfs/dbraw/zinc/69/01/32/520690132.db2.gz QAEDJDYHZWPBMA-IJEWVQPXSA-N 1 0 284.444 2.286 10 0 CEAERO CCOC(=O)CC[C@@H]([NH3+])Cc1cc(C)c(O)c(C)c1 ZINC000069606027 520706009 /nfs/dbraw/zinc/70/60/09/520706009.db2.gz NOFCJUHWONNOAO-CYBMUJFWSA-N 1 0 265.353 2.222 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)N1CC[C@H](c2ccccc2)C1 ZINC000050599584 520705750 /nfs/dbraw/zinc/70/57/50/520705750.db2.gz FXYOZHUSARUDJL-GJZGRUSLSA-N 1 0 260.381 2.378 10 0 CEAERO CCOC(=O)CC[C@@H]([NH3+])Cc1cccc(F)c1F 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CCOC(=O)C[C@]1([NH+]2CCOCC2)CCC[C@@H](C)[C@@H]1C ZINC000068633932 520902470 /nfs/dbraw/zinc/90/24/70/520902470.db2.gz JYBHYDMZCQJDOH-IJEWVQPXSA-N 1 0 283.412 2.467 10 0 CEAERO CCC[C@@](C)(C[NH2+]C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000054656911 520909308 /nfs/dbraw/zinc/90/93/08/520909308.db2.gz SRBRXUUFTXENGE-OLZOCXBDSA-N 1 0 261.431 2.226 10 0 CEAERO CCOc1ccc(C)cc1[C@H]([NH2+]C)[C@H]1COCCO1 ZINC000055301425 520927988 /nfs/dbraw/zinc/92/79/88/520927988.db2.gz WUYLTWPGLMIRJX-CABCVRRESA-N 1 0 265.353 2.070 10 0 CEAERO CCN(CC1CC1)[C@@H](C[NH3+])c1cc(OC)cc(OC)c1 ZINC000069237355 520965349 /nfs/dbraw/zinc/96/53/49/520965349.db2.gz OPODDBOWRSUTAK-INIZCTEOSA-N 1 0 278.396 2.436 10 0 CEAERO CC[N@H+](CC1CC1)[C@@H](CN)c1ccc2c(c1)OCCO2 ZINC000069237328 520967438 /nfs/dbraw/zinc/96/74/38/520967438.db2.gz SJRBBEUEDAQOAD-AWEZNQCLSA-N 1 0 276.380 2.190 10 0 CEAERO CCOC(=O)[C@@H](C)Oc1ccc(C[C@@H](C)[NH3+])cc1OCC ZINC000049955404 521031428 /nfs/dbraw/zinc/03/14/28/521031428.db2.gz 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OQPGOTGTZXFFJM-AWEZNQCLSA-N 1 0 266.410 2.187 10 0 CEAERO CCC[C@]1(C(=O)N[C@H](C)Cc2ccco2)CC[NH2+]C1 ZINC000062892543 521300219 /nfs/dbraw/zinc/30/02/19/521300219.db2.gz KAXPVALSOOHFDY-DOMZBBRYSA-N 1 0 264.369 2.107 10 0 CEAERO CCC(C)(C)[N@H+](C)C[C@](C)(NC(C)C)C(=O)OC ZINC000069446901 521303590 /nfs/dbraw/zinc/30/35/90/521303590.db2.gz IMGZDPACHHBHHG-AWEZNQCLSA-N 1 0 258.406 2.037 10 0 CEAERO CCOC(=O)[C@](C)(C[C@H](C)[N@H+](CC(C)C)C1CC1)NC ZINC000068633056 521324003 /nfs/dbraw/zinc/32/40/03/521324003.db2.gz FJFUANMQAWRXKJ-BBRMVZONSA-N 1 0 284.444 2.427 10 0 CEAERO CCOC(=O)[C@](C)([NH3+])C[C@@H](C)n1cnc2ccccc21 ZINC000068648920 521330596 /nfs/dbraw/zinc/33/05/96/521330596.db2.gz FOFQEXYPKUXZSU-IAQYHMDHSA-N 1 0 275.352 2.268 10 0 CEAERO CCN(Cc1cccc(F)c1)C(=O)C(C)(C)[NH2+]C ZINC000061316939 521344444 /nfs/dbraw/zinc/34/44/44/521344444.db2.gz KPABJVKDRJMQPA-UHFFFAOYSA-N 1 0 252.333 2.172 10 0 CEAERO CCOC(=O)[C@](N)(C[N@H+](C)[C@@H](C)CC(C)C)C1CC1 ZINC000069140032 521345928 /nfs/dbraw/zinc/34/59/28/521345928.db2.gz COVRUDZRHOAQAY-WFASDCNBSA-N 1 0 270.417 2.023 10 0 CEAERO CCOc1cccc([C@H]2[C@@H](C[NH2+]C)OCCN2CC)c1 ZINC000070288080 521425945 /nfs/dbraw/zinc/42/59/45/521425945.db2.gz AOGYHUMKGJEVEC-CVEARBPZSA-N 1 0 278.396 2.067 10 0 CEAERO CCC(CC)(CO)[NH2+]C[C@@H](O)COc1c(C)cccc1C ZINC000053070648 521458129 /nfs/dbraw/zinc/45/81/29/521458129.db2.gz KYFVMGCNDOVWPF-OAHLLOKOSA-N 1 0 295.423 2.184 10 0 CEAERO CCCc1nc(COc2c(C[NH3+])cccc2OCC)no1 ZINC000049339393 521519245 /nfs/dbraw/zinc/51/92/45/521519245.db2.gz WBTVKHLAWIOSJE-UHFFFAOYSA-N 1 0 291.351 2.459 10 0 CEAERO CCC(CC)[N@H+](C)C[C@@](NC(C)C)(C(=O)OC)C1CC1 ZINC000069099503 521542175 /nfs/dbraw/zinc/54/21/75/521542175.db2.gz FHXQLOUFHMLZLZ-INIZCTEOSA-N 1 0 284.444 2.427 10 0 CEAERO CC[NH+]1CCC(CNC(=O)c2ccc(NC)cc2)CC1 ZINC000050786838 521551130 /nfs/dbraw/zinc/55/11/30/521551130.db2.gz WHUWYHRPDQELPZ-UHFFFAOYSA-N 1 0 275.396 2.190 10 0 CEAERO CCC(CC)N(CCOC)C(=O)[C@@H]1C[C@@H]([NH3+])CC[C@@H]1C ZINC000055133756 521557352 /nfs/dbraw/zinc/55/73/52/521557352.db2.gz CSGUJKXGYOZXNM-KCQAQPDRSA-N 1 0 284.444 2.414 10 0 CEAERO CCOC(=O)c1ccoc1CN1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000063195539 521562128 /nfs/dbraw/zinc/56/21/28/521562128.db2.gz BHEFOVLSUWBKQT-DGCLKSJQSA-N 1 0 280.368 2.158 10 0 CEAERO CCC(CC)N1C(=O)C[C@H]([NH2+][C@@H](CC)C(C)C)C1=O ZINC000049128587 521562323 /nfs/dbraw/zinc/56/23/23/521562323.db2.gz UVMZNDJTKUSSEM-STQMWFEESA-N 1 0 268.401 2.327 10 0 CEAERO CCOc1ccccc1OCc1ccc[nH+]c1NN ZINC000052728616 521568843 /nfs/dbraw/zinc/56/88/43/521568843.db2.gz RDFQBKIBXTZEGE-UHFFFAOYSA-N 1 0 259.309 2.345 10 0 CEAERO CCOc1ccccc1[C@@H](C[NH3+])N(C)CCCOC ZINC000062030090 521576648 /nfs/dbraw/zinc/57/66/48/521576648.db2.gz WHELAAIEZHJSRQ-CQSZACIVSA-N 1 0 266.385 2.053 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC2CCCCCC2)C1 ZINC000052497517 521620016 /nfs/dbraw/zinc/62/00/16/521620016.db2.gz LVSSYZVQBFBBIG-CQSZACIVSA-N 1 0 267.417 2.493 10 0 CEAERO CCCn1c(S[C@H](C[NH3+])c2ccc(C)s2)n[nH]c1=O ZINC000061594862 521635336 /nfs/dbraw/zinc/63/53/36/521635336.db2.gz AHOBDJQEMUZHCX-SNVBAGLBSA-N 1 0 298.437 2.143 10 0 CEAERO CCCn1c(S[C@H](c2cccs2)[C@@H](C)[NH3+])n[nH]c1=O ZINC000061594858 521635475 /nfs/dbraw/zinc/63/54/75/521635475.db2.gz GQHAAMTVIZIGKV-SCZZXKLOSA-N 1 0 298.437 2.224 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)c2cccc3c2NCCC3)C1 ZINC000050957959 521648411 /nfs/dbraw/zinc/64/84/11/521648411.db2.gz IQDCQXLJLCKIQP-AWEZNQCLSA-N 1 0 287.407 2.259 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CNc1cc(C)nc(Cl)n1 ZINC000052814286 521658569 /nfs/dbraw/zinc/65/85/69/521658569.db2.gz WKFRSVDKTBWRFA-JTQLQIEISA-N 1 0 254.765 2.335 10 0 CEAERO CCC1(C)CC[NH+](C[C@@](NC(C)C)(C(N)=O)C2CC2)CC1 ZINC000069232534 521678226 /nfs/dbraw/zinc/67/82/26/521678226.db2.gz FXZBPVLKHURGSZ-KRWDZBQOSA-N 1 0 295.471 2.131 10 0 CEAERO CCC1(C)CC[NH+]([C@H](C)C[C@@](C)(NC)C(=O)OC)CC1 ZINC000068645185 521678425 /nfs/dbraw/zinc/67/84/25/521678425.db2.gz JHJPREOWZKCLJP-CZUORRHYSA-N 1 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GWNGLCGGRMGFNI-UHFFFAOYSA-N 1 0 283.828 2.116 10 0 CEAERO CCCN1C(=O)C[C@@H]([NH2+][C@H](C)c2cccc(F)c2)C1=O ZINC000049529703 521699945 /nfs/dbraw/zinc/69/99/45/521699945.db2.gz WORPTAONAUGGET-ZWNOBZJWSA-N 1 0 278.327 2.014 10 0 CEAERO CCNC(=O)CN(C)c1ccc(F)cc1C[NH2+]C(C)(C)C ZINC000062737465 521736298 /nfs/dbraw/zinc/73/62/98/521736298.db2.gz WBSAMKHGMHYGRI-UHFFFAOYSA-N 1 0 295.402 2.286 10 0 CEAERO COCC[C@@H]([NH3+])c1nc(-c2ccccc2OC)c[nH]1 ZINC000052811096 521834702 /nfs/dbraw/zinc/83/47/02/521834702.db2.gz BZPAOHUEOIUJCC-LLVKDONJSA-N 1 0 261.325 2.122 10 0 CEAERO C[NH+](C)C[C@@H]1CCCN1c1nc2ccccc2cc1CO ZINC000061645462 521844703 /nfs/dbraw/zinc/84/47/03/521844703.db2.gz FFCLVXKPYRGMTH-HNNXBMFYSA-N 1 0 285.391 2.258 10 0 CEAERO CN(C)C[C@H]1CCC[N@@H+]1CCC(=O)c1ccc(F)cc1 ZINC000061645761 521866506 /nfs/dbraw/zinc/86/65/06/521866506.db2.gz GTYFPMXLBYQEBN-OAHLLOKOSA-N 1 0 278.371 2.425 10 0 CEAERO CCc1ccccc1[C@@H](C[NH3+])N(CCCOC)CCOC ZINC000052203802 521929572 /nfs/dbraw/zinc/92/95/72/521929572.db2.gz YVAXDWMEWCBXDX-QGZVFWFLSA-N 1 0 294.439 2.234 10 0 CEAERO CCc1ccccc1[C@@H](C[NH3+])N(C)Cc1cnn(C)c1 ZINC000052203730 521929771 /nfs/dbraw/zinc/92/97/71/521929771.db2.gz JLEWTRGWRUMHGI-MRXNPFEDSA-N 1 0 272.396 2.114 10 0 CEAERO COCC[C@H]([NH3+])C(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000052808533 521937142 /nfs/dbraw/zinc/93/71/42/521937142.db2.gz SAEIFEXEIVYCSN-MFKMUULPSA-N 1 0 284.787 2.223 10 0 CEAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000061316760 521943337 /nfs/dbraw/zinc/94/33/37/521943337.db2.gz SOZWNHBSJWQEMG-UHFFFAOYSA-N 1 0 279.359 2.362 10 0 CEAERO C[NH2+]C(C)(C)c1nc(-c2ccc(F)c(F)c2)no1 ZINC000061151397 521944858 /nfs/dbraw/zinc/94/48/58/521944858.db2.gz SYDHIFNUKQJPJF-UHFFFAOYSA-N 1 0 253.252 2.469 10 0 CEAERO C[NH2+]CC1(Cc2ccc(OC)c(F)c2)CCOCC1 ZINC000061674002 521971952 /nfs/dbraw/zinc/97/19/52/521971952.db2.gz MLOZHXZPWLQNPK-UHFFFAOYSA-N 1 0 267.344 2.393 10 0 CEAERO C[NH2+]CC1(Cc2nnnn2-c2ccccc2)CCCCC1 ZINC000054654811 521972164 /nfs/dbraw/zinc/97/21/64/521972164.db2.gz QGCQFLJBYHHVJU-UHFFFAOYSA-N 1 0 285.395 2.375 10 0 CEAERO CC[C@@H](C)C[NH2+]C[C@H](O)c1ccc2c(c1)OCCO2 ZINC000054470262 521995847 /nfs/dbraw/zinc/99/58/47/521995847.db2.gz KOXZTDRMEHMEND-YPMHNXCESA-N 1 0 265.353 2.127 10 0 CEAERO C[NH2+]CCCc1c(C)nc(Cc2cccnc2)nc1C ZINC000054837331 522000438 /nfs/dbraw/zinc/00/04/38/522000438.db2.gz WSZYTOLZERMNOR-UHFFFAOYSA-N 1 0 270.380 2.231 10 0 CEAERO C[NH2+]CCOCc1ccc(F)c(Br)c1 ZINC000051841835 522011890 /nfs/dbraw/zinc/01/18/90/522011890.db2.gz QZUOXHTYNZMKBS-UHFFFAOYSA-N 1 0 262.122 2.324 10 0 CEAERO C[NH2+]CCc1nnc(-c2ccc(Br)cc2)o1 ZINC000050619671 522023529 /nfs/dbraw/zinc/02/35/29/522023529.db2.gz MIPRQLHGVNXNIR-UHFFFAOYSA-N 1 0 282.141 2.261 10 0 CEAERO COCCc1nc(C)c(CCC[NH2+]CC(C)C)c(C)n1 ZINC000054837911 522031078 /nfs/dbraw/zinc/03/10/78/522031078.db2.gz HZPYFLXJVOUGIH-UHFFFAOYSA-N 1 0 279.428 2.461 10 0 CEAERO C[NH2+]C[C@@H](CCC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000052950262 522034045 /nfs/dbraw/zinc/03/40/45/522034045.db2.gz HTPLCRXSSCNIGL-NEPJUHHUSA-N 1 0 261.431 2.083 10 0 CEAERO C[NH2+]C[C@@H](Cc1ccc(C)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000052950230 522034340 /nfs/dbraw/zinc/03/43/40/522034340.db2.gz GOIHUSHYRFKIJR-JKSUJKDBSA-N 1 0 295.448 2.116 10 0 CEAERO C[NH2+]C[C@@H]1CCCCN1C(=O)c1nccc2ccccc21 ZINC000063167173 522040062 /nfs/dbraw/zinc/04/00/62/522040062.db2.gz JFNOKIYVZVKVDL-AWEZNQCLSA-N 1 0 283.375 2.449 10 0 CEAERO C[NH2+]C[C@@H]1CCCCN1Cc1ccc(OC)cc1OC ZINC000063166668 522040669 /nfs/dbraw/zinc/04/06/69/522040669.db2.gz QCRQWGGSYPYYNY-AWEZNQCLSA-N 1 0 278.396 2.278 10 0 CEAERO COC(=O)c1ccc(Cl)c(NC(=O)[C@]2(C)CC[NH2+]C2)c1 ZINC000062892814 522058992 /nfs/dbraw/zinc/05/89/92/522058992.db2.gz BSQPAKATZYIBQD-CQSZACIVSA-N 1 0 296.754 2.065 10 0 CEAERO C[NH2+]C[C@@H]1CC[C@@H](COc2ccccc2Cl)O1 ZINC000052664747 522059299 /nfs/dbraw/zinc/05/92/99/522059299.db2.gz HTRWXFGWWNJRJX-QWRGUYRKSA-N 1 0 255.745 2.486 10 0 CEAERO C[NH2+]C[C@@H]1CC[C@H](Cn2cnc3cc(C)c(C)cc32)O1 ZINC000052575695 522061492 /nfs/dbraw/zinc/06/14/92/522061492.db2.gz PGSHLTXCDWIBDM-UONOGXRCSA-N 1 0 273.380 2.420 10 0 CEAERO C[NH2+]C[C@@]1(Cc2cnn(C)c2)CCCc2ccccc21 ZINC000054662402 522063202 /nfs/dbraw/zinc/06/32/02/522063202.db2.gz IWDCVPCAISZQJM-KRWDZBQOSA-N 1 0 269.392 2.456 10 0 CEAERO C[NH2+]C[C@H](OC1CCOCC1)c1cccc(OC)c1 ZINC000050486079 522076569 /nfs/dbraw/zinc/07/65/69/522076569.db2.gz ZILQZHNTOWOTOT-HNNXBMFYSA-N 1 0 265.353 2.151 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1C(=O)c1cccc(F)c1F ZINC000063167244 522080547 /nfs/dbraw/zinc/08/05/47/522080547.db2.gz MMDAAYNHWHDJHE-SNVBAGLBSA-N 1 0 268.307 2.179 10 0 CEAERO C[NH2+]C[C@H]1CC[C@H](COc2ccc(Cl)cc2)O1 ZINC000052665165 522095754 /nfs/dbraw/zinc/09/57/54/522095754.db2.gz BNQZMDFZCGSPHZ-CHWSQXEVSA-N 1 0 255.745 2.486 10 0 CEAERO C[NH2+]C[C@H]1CC[C@H](COc2ccc3c(c2)CCC3)O1 ZINC000052693531 522096148 /nfs/dbraw/zinc/09/61/48/522096148.db2.gz FYVKTMGFCSEJKP-HZPDHXFCSA-N 1 0 261.365 2.321 10 0 CEAERO CC[C@H](CC1CC1)NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000070256972 522119107 /nfs/dbraw/zinc/11/91/07/522119107.db2.gz UCXNFIXHYPPHGB-CHWSQXEVSA-N 1 0 250.386 2.071 10 0 CEAERO CC[C@@H](C)N1CC[NH+](C[C@@H]2CCCCC[C@@H]2O)CC1 ZINC000055073116 522123976 /nfs/dbraw/zinc/12/39/76/522123976.db2.gz PDLLACUNWDWSST-PMPSAXMXSA-N 1 0 268.445 2.344 10 0 CEAERO CC[C@@H](C)[NH+]1CCN([C@H]2CNc3ccccc3C2)CC1 ZINC000055067308 522130772 /nfs/dbraw/zinc/13/07/72/522130772.db2.gz XTQVVGRXUMDJHC-GDBMZVCRSA-N 1 0 273.424 2.439 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(c2n[nH]c(=S)n2C(C)C)CC1 ZINC000055069001 522137350 /nfs/dbraw/zinc/13/73/50/522137350.db2.gz IDBIKOKGKBJIGH-LLVKDONJSA-N 1 0 283.445 2.442 10 0 CEAERO C[NH2+]Cc1nnc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000050615362 522155837 /nfs/dbraw/zinc/15/58/37/522155837.db2.gz BJUAGZRRUSEYLY-UHFFFAOYSA-N 1 0 257.215 2.475 10 0 CEAERO COC(=O)c1ccccc1CN[C@@H](C)C[NH+]1CCCC1 ZINC000049150715 522264328 /nfs/dbraw/zinc/26/43/28/522264328.db2.gz WLSOVOVZTJQEOP-ZDUSSCGKSA-N 1 0 276.380 2.047 10 0 CEAERO C[NH2+][C@@H](C)C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000052395773 522321650 /nfs/dbraw/zinc/32/16/50/522321650.db2.gz YELWSYZFQKTWDN-AJNSSVRESA-N 1 0 264.413 2.315 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(F)cc1O[C@@H]1CCC[C@@H]1O ZINC000062746342 522331629 /nfs/dbraw/zinc/33/16/29/522331629.db2.gz BTPZVXMOAITPIT-TVYUQYBPSA-N 1 0 253.317 2.398 10 0 CEAERO CC[C@H]([NH3+])Cc1c(C)nn(Cc2cccc(OC)n2)c1C ZINC000070094520 522333432 /nfs/dbraw/zinc/33/34/32/522333432.db2.gz HWWOYKWINYANFR-ZDUSSCGKSA-N 1 0 288.395 2.232 10 0 CEAERO CC[C@H]([NH3+])Cc1cccc(OC)c1OC[C@@H]1CCOC1 ZINC000049689956 522335671 /nfs/dbraw/zinc/33/56/71/522335671.db2.gz IKAUCESIMDNWKW-OCCSQVGLSA-N 1 0 279.380 2.390 10 0 CEAERO CC[C@H]([NH3+])Cc1nccn1Cc1ncc(C)c(OC)c1C ZINC000062803073 522337843 /nfs/dbraw/zinc/33/78/43/522337843.db2.gz GLPLFGAUULLYSC-ZDUSSCGKSA-N 1 0 288.395 2.232 10 0 CEAERO CC[C@H]([NH3+])[C@@](O)(c1ccccc1F)C(F)(F)F ZINC000062784531 522342590 /nfs/dbraw/zinc/34/25/90/522342590.db2.gz MIYOLCUYLFSFKS-UWVGGRQHSA-N 1 0 251.223 2.313 10 0 CEAERO CCc1nc(CN[C@@H](C[NH+](C)C)C(C)C)cs1 ZINC000049591363 522349738 /nfs/dbraw/zinc/34/97/38/522349738.db2.gz LWFHWJJDRKJRMW-LBPRGKRZSA-N 1 0 255.431 2.381 10 0 CEAERO CN(C)c1nccc(N(CCC[NH3+])c2cccc(F)c2)n1 ZINC000068689994 522360802 /nfs/dbraw/zinc/36/08/02/522360802.db2.gz CRIHZXQAUYQWHQ-UHFFFAOYSA-N 1 0 289.358 2.169 10 0 CEAERO C[NH2+][C@@H](Cc1cnn(C)c1)c1ccc2ncccc2c1 ZINC000062802210 522362017 /nfs/dbraw/zinc/36/20/17/522362017.db2.gz HHMISCQUQFVCKR-INIZCTEOSA-N 1 0 266.348 2.472 10 0 CEAERO C[NH2+][C@@H](Cc1cnn(C)c1)c1nccc2ccccc21 ZINC000069314514 522363197 /nfs/dbraw/zinc/36/31/97/522363197.db2.gz LCYVQAZJFNLATE-HNNXBMFYSA-N 1 0 266.348 2.472 10 0 CEAERO CN(C)c1ncccc1NC(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050944407 522375338 /nfs/dbraw/zinc/37/53/38/522375338.db2.gz WYJWCMATUREWNU-GFCCVEGCSA-N 1 0 276.384 2.008 10 0 CEAERO COC(=O)c1sc2ccccc2c1NC(=O)[C@@H](C)C[NH3+] ZINC000054344194 522433319 /nfs/dbraw/zinc/43/33/19/522433319.db2.gz VSMDBPSQVKRYNT-QMMMGPOBSA-N 1 0 292.360 2.221 10 0 CEAERO C[NH2+][C@H](C)c1cc(Cl)ccc1OC[C@@H]1CNC(=O)O1 ZINC000050209861 522445555 /nfs/dbraw/zinc/44/55/55/522445555.db2.gz BRVPBQZDCOFQLH-SCZZXKLOSA-N 1 0 284.743 2.108 10 0 CEAERO C[NH2+][C@H](C)c1ccc(OC)c(Cn2ccc(=O)cc2)c1 ZINC000061627822 522448840 /nfs/dbraw/zinc/44/88/40/522448840.db2.gz RXXGBXMXDCOUMP-GFCCVEGCSA-N 1 0 272.348 2.186 10 0 CEAERO C[NH2+][C@H](COc1c(OC)cccc1OC)C1CC1 ZINC000069080232 522467997 /nfs/dbraw/zinc/46/79/97/522467997.db2.gz ALTYRUOCTBAJQX-LLVKDONJSA-N 1 0 251.326 2.081 10 0 CEAERO C[NH2+][C@H](c1ccnn1C)c1cc(Cl)c(OC)c(OC)c1 ZINC000069467541 522485309 /nfs/dbraw/zinc/48/53/09/522485309.db2.gz NSNVPRMUEFHXOI-ZDUSSCGKSA-N 1 0 295.770 2.400 10 0 CEAERO C[NH2+][C@H](c1ccccc1)[C@H](C(C)C)S(C)(=O)=O ZINC000054930242 522486151 /nfs/dbraw/zinc/48/61/51/522486151.db2.gz XMWMVJZOKXMZMV-OLZOCXBDSA-N 1 0 255.383 2.016 10 0 CEAERO C[NH2+][C@H]1c2ccccc2C[C@@H]1S(=O)(=O)c1ccccc1 ZINC000061702779 522509879 /nfs/dbraw/zinc/50/98/79/522509879.db2.gz YYCQVMWPYGXWDU-HOTGVXAUSA-N 1 0 287.384 2.346 10 0 CEAERO CC[C@@H](C[NH2+]C1CC1)n1cc(Br)cn1 ZINC000052577676 522546232 /nfs/dbraw/zinc/54/62/32/522546232.db2.gz PZXGZGYQCFUODA-JTQLQIEISA-N 1 0 258.163 2.349 10 0 CEAERO CNc1cc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)ccn1 ZINC000050721283 522555461 /nfs/dbraw/zinc/55/54/61/522555461.db2.gz HATDZEDVOSVYQV-ZDUSSCGKSA-N 1 0 290.411 2.118 10 0 CEAERO CCc1nccn1C[C@@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000048821706 522584710 /nfs/dbraw/zinc/58/47/10/522584710.db2.gz VASBBUUSKHGFML-CYBMUJFWSA-N 1 0 287.363 2.307 10 0 CEAERO COC[C@H](C)N(C)CC[NH2+]Cc1ccc(C)s1 ZINC000053392042 522592723 /nfs/dbraw/zinc/59/27/23/522592723.db2.gz YHJJIXFNQHQRCZ-NSHDSACASA-N 1 0 256.415 2.113 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccnc(-c2ccc(OC)cc2)n1 ZINC000054834931 522644483 /nfs/dbraw/zinc/64/44/83/522644483.db2.gz PSVZNVFSOOMVFS-GFCCVEGCSA-N 1 0 257.337 2.432 10 0 CEAERO CC[C@@H]([NH3+])Cc1noc(C2(c3ccccc3)CC2)n1 ZINC000061618617 522645798 /nfs/dbraw/zinc/64/57/98/522645798.db2.gz IPFCSMXQCDJSBC-GFCCVEGCSA-N 1 0 257.337 2.429 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1ncnc2[nH]cnc21)C(F)(F)F ZINC000051036391 522648782 /nfs/dbraw/zinc/64/87/82/522648782.db2.gz VLJKBNYTAHWMLD-IYSWYEEDSA-N 1 0 291.302 2.113 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1cc(C)nn1C)C(F)(F)F ZINC000052309667 522650753 /nfs/dbraw/zinc/65/07/53/522650753.db2.gz DQFPTRSAMMRIGV-APPZFPTMSA-N 1 0 267.320 2.489 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1cc(C)nn1C)c1cnn(C)c1 ZINC000052308959 522651983 /nfs/dbraw/zinc/65/19/83/522651983.db2.gz REBVCWQJTANVBR-DGCLKSJQSA-N 1 0 279.413 2.033 10 0 CEAERO COc1cc(OC)c(C[NH2+][C@H]2C[C@H]2C)c(OC)c1 ZINC000052272847 522797040 /nfs/dbraw/zinc/79/70/40/522797040.db2.gz JREGPJPZLPAAHZ-SKDRFNHKSA-N 1 0 251.326 2.210 10 0 CEAERO CC[C@@H]([NH2+]CC(=O)N[C@H](C)COC)C1CCCCC1 ZINC000052338487 522815974 /nfs/dbraw/zinc/81/59/74/522815974.db2.gz GGMBKGBKVPGUJJ-TZMCWYRMSA-N 1 0 270.417 2.086 10 0 CEAERO CC[C@@H]([NH2+]CCc1ccc(Cl)cc1Cl)C(N)=O ZINC000061676431 522841756 /nfs/dbraw/zinc/84/17/56/522841756.db2.gz GWCNVEVPAWPEJA-LLVKDONJSA-N 1 0 275.179 2.389 10 0 CEAERO CC[C@H](OC1CCCCC1)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000158283086 522855448 /nfs/dbraw/zinc/85/54/48/522855448.db2.gz IPYINSREKVRQSU-JSGCOSHPSA-N 1 0 268.401 2.064 10 0 CEAERO COc1cc([C@@H]([NH3+])c2cnccn2)cc(Cl)c1OC ZINC000069499697 522912453 /nfs/dbraw/zinc/91/24/53/522912453.db2.gz GPWIGIONDPGGRL-GFCCVEGCSA-N 1 0 279.727 2.195 10 0 CEAERO COCC1CC[NH+]([C@@H]2CCc3ccccc3[C@H]2O)CC1 ZINC000070081764 522938800 /nfs/dbraw/zinc/93/88/00/522938800.db2.gz GMYNOKRBDLZABK-IAGOWNOFSA-N 1 0 275.392 2.393 10 0 CEAERO CC[C@@H](Oc1c(Cl)cc(Cl)cc1C[NH3+])C(N)=O ZINC000061675941 523036572 /nfs/dbraw/zinc/03/65/72/523036572.db2.gz ORXTZHWRDUCLLR-SECBINFHSA-N 1 0 277.151 2.095 10 0 CEAERO COCc1cccc(O[C@H]([C@@H](C)[NH3+])C(F)(F)F)c1 ZINC000070094761 523083479 /nfs/dbraw/zinc/08/34/79/523083479.db2.gz AGBFSDSIMCUYQU-LDYMZIIASA-N 1 0 263.259 2.490 10 0 CEAERO COC(=O)CC[C@@H]([NH3+])Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000061893165 523113362 /nfs/dbraw/zinc/11/33/62/523113362.db2.gz DTCPDEHCCXSXNJ-HOSYDEDBSA-N 1 0 251.326 2.226 10 0 CEAERO COC(=O)CC[C@H]([NH3+])Cc1ccc(Br)s1 ZINC000061893202 523116668 /nfs/dbraw/zinc/11/66/68/523116668.db2.gz QDZDKIXSGOTSTM-ZETCQYMHSA-N 1 0 292.198 2.334 10 0 CEAERO CCn1c2ccc([C@H]([NH3+])C3CCOCC3)cc2oc1=O ZINC000061672272 523271274 /nfs/dbraw/zinc/27/12/74/523271274.db2.gz BPLSLERRXLZLJU-CQSZACIVSA-N 1 0 276.336 2.041 10 0 CEAERO CO[C@@H](C(=O)N(C)CC[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000050437506 523308123 /nfs/dbraw/zinc/30/81/23/523308123.db2.gz GNHUMHGRWUPDOG-JKSUJKDBSA-N 1 0 290.407 2.365 10 0 CEAERO CC[C@H]1COCCN1c1ccc(Cl)cc1C[NH3+] ZINC000052856929 523338462 /nfs/dbraw/zinc/33/84/62/523338462.db2.gz PYSKIGSEXVFIDK-LBPRGKRZSA-N 1 0 254.761 2.414 10 0 CEAERO CC[C@H]1COCCN1c1ccccc1C[NH2+]CCOC ZINC000062736344 523338906 /nfs/dbraw/zinc/33/89/06/523338906.db2.gz FHRRJSSMQZUMPX-HNNXBMFYSA-N 1 0 278.396 2.038 10 0 CEAERO CC[C@H]1CO[C@@H](C)CN1[C@@H](C[NH2+]C1CC1)C(C)C ZINC000052570736 523345766 /nfs/dbraw/zinc/34/57/66/523345766.db2.gz IORBOYVXKHWAHS-QEJZJMRPSA-N 1 0 254.418 2.262 10 0 CEAERO CCn1cc(CN(CCC[NH3+])c2ccc(F)cc2)cn1 ZINC000050539153 523364825 /nfs/dbraw/zinc/36/48/25/523364825.db2.gz PIMUOUCWFMYTHY-UHFFFAOYSA-N 1 0 276.359 2.398 10 0 CEAERO CCn1cc(COc2c(C[C@@H](C)[NH3+])cccc2OC)cn1 ZINC000050543434 523390053 /nfs/dbraw/zinc/39/00/53/523390053.db2.gz UUUUGFMGSSOTFE-GFCCVEGCSA-N 1 0 289.379 2.380 10 0 CEAERO CCn1cc(C[C@H](Cc2ccccc2F)[NH2+]C)cn1 ZINC000050543110 523396548 /nfs/dbraw/zinc/39/65/48/523396548.db2.gz FIMWENGLYXADRY-CQSZACIVSA-N 1 0 261.344 2.415 10 0 CEAERO CC[C@@H]1CO[C@H](C)CN1Cc1cc(C)c(C[NH3+])o1 ZINC000052571051 523516527 /nfs/dbraw/zinc/51/65/27/523516527.db2.gz ZUZDWXQIIPBKFR-VXGBXAGGSA-N 1 0 252.358 2.046 10 0 CEAERO CN(Cc1cnn(C)c1)c1nc2ccccc2cc1C[NH3+] ZINC000048985841 523519736 /nfs/dbraw/zinc/51/97/36/523519736.db2.gz OHOWOUAJDFZKDV-UHFFFAOYSA-N 1 0 281.363 2.063 10 0 CEAERO CC[C@]1(C(=O)NCCc2cc(F)cc(F)c2)CCC[NH2+]C1 ZINC000062861094 523538395 /nfs/dbraw/zinc/53/83/95/523538395.db2.gz WYXCTICYJRXBQA-INIZCTEOSA-N 1 0 296.361 2.403 10 0 CEAERO CC[C@]1(C(=O)NCCc2cccc(C)c2)CCC[NH2+]C1 ZINC000062860884 523539381 /nfs/dbraw/zinc/53/93/81/523539381.db2.gz FHGRCCZHGYPFHG-KRWDZBQOSA-N 1 0 274.408 2.434 10 0 CEAERO CC[C@]1(C(=O)Nc2ccc(OC)c(OC)c2)CCC[NH2+]C1 ZINC000062852162 523542731 /nfs/dbraw/zinc/54/27/31/523542731.db2.gz VKCXCUGNMCUDNE-INIZCTEOSA-N 1 0 292.379 2.422 10 0 CEAERO CN(Cc1[nH+]c(NN)ccc1Cl)C[C@H]1CCCCO1 ZINC000061631288 523555753 /nfs/dbraw/zinc/55/57/53/523555753.db2.gz PGCNNWVFAWXWMQ-SNVBAGLBSA-N 1 0 284.791 2.022 10 0 CEAERO COc1ccc(C(=O)N(CCC[NH3+])CC(C)C)cc1F ZINC000061668559 523612854 /nfs/dbraw/zinc/61/28/54/523612854.db2.gz YKGUVJHTOLOHIP-UHFFFAOYSA-N 1 0 282.359 2.281 10 0 CEAERO C[N@H+]([C@H](CN)CCc1ccccc1)C1CCOCC1 ZINC000061624704 523626905 /nfs/dbraw/zinc/62/69/05/523626905.db2.gz XIPQTLIIAKDAEK-INIZCTEOSA-N 1 0 262.397 2.057 10 0 CEAERO COc1ccc(C(=O)N2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1F ZINC000061669319 523641495 /nfs/dbraw/zinc/64/14/95/523641495.db2.gz JVVVJPMKBGVSEO-KGLIPLIRSA-N 1 0 292.354 2.191 10 0 CEAERO CC[C@@]1(C(=O)NCCC2CCCC2)CCC[NH2+]C1 ZINC000062856071 523693794 /nfs/dbraw/zinc/69/37/94/523693794.db2.gz RRFJBMOSOFJEFK-OAHLLOKOSA-N 1 0 252.402 2.463 10 0 CEAERO CC[C@@]1(C(=O)Nc2ccnn2C(C)C)CCC[NH2+]C1 ZINC000062852069 523699611 /nfs/dbraw/zinc/69/96/11/523699611.db2.gz DKHKIYVWLHEHFV-CQSZACIVSA-N 1 0 264.373 2.182 10 0 CEAERO CC[C@@]1(CNCc2nc(C)cs2)CCC[NH2+]C1 ZINC000062862670 523735211 /nfs/dbraw/zinc/73/52/11/523735211.db2.gz WIHLVRHSSYQDPL-CYBMUJFWSA-N 1 0 253.415 2.321 10 0 CEAERO C[NH+]1CCC(Nc2cc(Cl)ccc2C(N)=S)CC1 ZINC000062788051 523778639 /nfs/dbraw/zinc/77/86/39/523778639.db2.gz NPOJRNHLXZECHV-UHFFFAOYSA-N 1 0 283.828 2.480 10 0 CEAERO COCCN([C@H](C[NH3+])c1ccc(F)c(C)c1)C1CC1 ZINC000050546400 523782472 /nfs/dbraw/zinc/78/24/72/523782472.db2.gz KXLIBAKFRFNGSG-OAHLLOKOSA-N 1 0 266.360 2.245 10 0 CEAERO COCCN([C@H](C[NH3+])CCc1ccccc1)C1CC1 ZINC000061624989 523782842 /nfs/dbraw/zinc/78/28/42/523782842.db2.gz YYAGZWULYWMQCN-INIZCTEOSA-N 1 0 262.397 2.057 10 0 CEAERO COCCN(c1ccc(Cl)cc1C[NH3+])[C@H](C)COC ZINC000052857482 523784728 /nfs/dbraw/zinc/78/47/28/523784728.db2.gz JCDKOCXENIWOBU-LLVKDONJSA-N 1 0 286.803 2.286 10 0 CEAERO CN(C(=O)C1(C)CC[NH2+]CC1)c1cccc(F)c1 ZINC000062841421 523785138 /nfs/dbraw/zinc/78/51/38/523785138.db2.gz CBCNAUDXBKAQGG-UHFFFAOYSA-N 1 0 250.317 2.178 10 0 CEAERO CC[C@H](C(=O)N[C@H]1CCCC[NH2+]C1)c1ccccc1 ZINC000070120492 523796233 /nfs/dbraw/zinc/79/62/33/523796233.db2.gz CFJCRTLJSJHFHC-GJZGRUSLSA-N 1 0 260.381 2.439 10 0 CEAERO COC(=O)[C@@](C)(C[C@@H](C)[N@H+](C)C1CCCC1)NC1CC1 ZINC000068623539 523814867 /nfs/dbraw/zinc/81/48/67/523814867.db2.gz HFZPRYRVLORVDP-MLGOLLRUSA-N 1 0 282.428 2.323 10 0 CEAERO COC(=O)[C@@](C)(N)C[C@H](C)[NH+]1CCC2(CCCC2)CC1 ZINC000068645432 523819471 /nfs/dbraw/zinc/81/94/71/523819471.db2.gz SKUFCFJDBCFLJN-ZFWWWQNUSA-N 1 0 282.428 2.312 10 0 CEAERO CC[C@H](C)CNS(=O)(=O)c1cccc([C@@H]([NH3+])CC)c1 ZINC000054489172 523886321 /nfs/dbraw/zinc/88/63/21/523886321.db2.gz ZBZGZIBJVLHVBZ-FZMZJTMJSA-N 1 0 284.425 2.421 10 0 CEAERO COC(=O)[C@H](C)Oc1cc(C[NH2+]CC(C)C)ccc1OC ZINC000062732578 523887433 /nfs/dbraw/zinc/88/74/33/523887433.db2.gz FXHAPQGLMPMOSZ-LBPRGKRZSA-N 1 0 295.379 2.381 10 0 CEAERO COCCN1C[C@H](C(C)C)[NH2+]C[C@H]1c1ccccc1 ZINC000062660379 523887318 /nfs/dbraw/zinc/88/73/18/523887318.db2.gz QZGZBOOKJWCKIL-CVEARBPZSA-N 1 0 262.397 2.304 10 0 CEAERO CCc1ccc(C(=O)[C@H](C)N2CCC[NH2+]CC2)cc1 ZINC000050499185 523899237 /nfs/dbraw/zinc/89/92/37/523899237.db2.gz RKSBZJZRADKROO-ZDUSSCGKSA-N 1 0 260.381 2.116 10 0 CEAERO COCC[NH2+]CC1(CCOCCC(C)C)CCOCC1 ZINC000061674653 523934260 /nfs/dbraw/zinc/93/42/60/523934260.db2.gz TTWOCVMNCQKMII-UHFFFAOYSA-N 1 0 287.444 2.472 10 0 CEAERO COCC[NH2+]CCCCOc1cccc(F)c1F ZINC000062654984 523935985 /nfs/dbraw/zinc/93/59/85/523935985.db2.gz JMAJDEFTUMNZEN-UHFFFAOYSA-N 1 0 259.296 2.360 10 0 CEAERO CC[C@H](C)N(CCOC)C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055140616 523937570 /nfs/dbraw/zinc/93/75/70/523937570.db2.gz WYBLIWGHGIEMJH-IHRRRGAJSA-N 1 0 270.417 2.168 10 0 CEAERO COCC[NH2+]C[C@@H]1C[C@]1(C)Cc1ccccc1OC ZINC000054599139 523941772 /nfs/dbraw/zinc/94/17/72/523941772.db2.gz GALYRENZNZYHQL-HOCLYGCPSA-N 1 0 263.381 2.500 10 0 CEAERO COCC[NH2+]C[C@H]1C[C@@H]1c1ccc2c(c1)CCN2C ZINC000054598832 523944378 /nfs/dbraw/zinc/94/43/78/523944378.db2.gz XNIIKLIDOFOMAX-HUUCEWRRSA-N 1 0 260.381 2.018 10 0 CEAERO COCC[NH2+]Cc1cc(OC)ccc1OCC(C)C ZINC000062727695 523950243 /nfs/dbraw/zinc/95/02/43/523950243.db2.gz JOXVXJCBXHOOJB-UHFFFAOYSA-N 1 0 267.369 2.466 10 0 CEAERO CC[C@H](C)NC(=O)CCn1c(N)[nH+]c2ccc(F)cc21 ZINC000052123164 523969827 /nfs/dbraw/zinc/96/98/27/523969827.db2.gz CIOSOEZUAQJQNH-VIFPVBQESA-N 1 0 278.331 2.062 10 0 CEAERO CCc1ccc(OC[C@@]([NH2+]C(C)C)(C(N)=O)C2CC2)cc1 ZINC000069197151 524006363 /nfs/dbraw/zinc/00/63/63/524006363.db2.gz GPGDZMSYGTZSOJ-KRWDZBQOSA-N 1 0 290.407 2.260 10 0 CEAERO CCc1ccc(OCC[C@H]([NH2+]C)C(N)=O)c(C(C)(C)C)c1 ZINC000062546687 524006395 /nfs/dbraw/zinc/00/63/95/524006395.db2.gz IJODISBSGCDXAM-AWEZNQCLSA-N 1 0 292.423 2.389 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](c2nc(-c3ccccc3Cl)no2)C1 ZINC000050438440 524009229 /nfs/dbraw/zinc/00/92/29/524009229.db2.gz HOGNNOJZDVTXAC-LDYMZIIASA-N 1 0 279.727 2.439 10 0 CEAERO COCCOCCOc1ccccc1C[NH2+]C(C)C ZINC000052628231 524012983 /nfs/dbraw/zinc/01/29/83/524012983.db2.gz GLVPHWFVSPBZFI-UHFFFAOYSA-N 1 0 267.369 2.226 10 0 CEAERO CCc1ccc([C@@H](COC)[NH2+]C[C@H](O)COC(C)(C)C)o1 ZINC000184775162 524032086 /nfs/dbraw/zinc/03/20/86/524032086.db2.gz KIRVFQJLZSZAMV-GXTWGEPZSA-N 1 0 299.411 2.295 10 0 CEAERO COCCOc1c(OC)cc(C[NH2+]CC(C)C)cc1OC ZINC000062732827 524037808 /nfs/dbraw/zinc/03/78/08/524037808.db2.gz MLYIZZVRIDCYNY-UHFFFAOYSA-N 1 0 297.395 2.475 10 0 CEAERO C[NH+](C)CC1CC[NH+](C[C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000062754199 524049573 /nfs/dbraw/zinc/04/95/73/524049573.db2.gz BVQRVGUMZFYVIO-MRXNPFEDSA-N 1 0 290.407 2.128 10 0 CEAERO CNC(=O)CCC[NH2+][C@H](c1ccccc1)c1ccncc1 ZINC000068817700 524065102 /nfs/dbraw/zinc/06/51/02/524065102.db2.gz DAPDJEBVDNSENH-QGZVFWFLSA-N 1 0 283.375 2.287 10 0 CEAERO CNC(=O)[C@@H](C)Oc1cc(C[NH2+]C(C)(C)C)ccc1OC ZINC000062732444 524080833 /nfs/dbraw/zinc/08/08/33/524080833.db2.gz KHTZCUTYCRABKR-LLVKDONJSA-N 1 0 294.395 2.097 10 0 CEAERO CNC(=O)[C@@H](CC(C)C)[NH2+]Cc1ccc2ncccc2c1 ZINC000067503179 524080941 /nfs/dbraw/zinc/08/09/41/524080941.db2.gz GLNRDYMFDHFXAR-MRXNPFEDSA-N 1 0 285.391 2.485 10 0 CEAERO Cc1ccc2nnc([C@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)n2n1 ZINC000050194487 524085769 /nfs/dbraw/zinc/08/57/69/524085769.db2.gz PSZGOVCBAVEUSW-GRYCIOLGSA-N 1 0 257.341 2.026 10 0 CEAERO Cc1ccc2nnc(CC[C@@H]([NH3+])c3ccccc3)n2n1 ZINC000050194316 524086081 /nfs/dbraw/zinc/08/60/81/524086081.db2.gz FSSGYTJEQCPRBB-CYBMUJFWSA-N 1 0 267.336 2.065 10 0 CEAERO COc1cccc([C@@H](O)CN2CC[NH+](CC(C)C)CC2)c1 ZINC000055080942 524103852 /nfs/dbraw/zinc/10/38/52/524103852.db2.gz MBULIKCPVXSHTL-KRWDZBQOSA-N 1 0 292.423 2.002 10 0 CEAERO COc1cccc([C@@H](O)[C@@H]([NH3+])c2ccccc2)c1OC ZINC000054681695 524105594 /nfs/dbraw/zinc/10/55/94/524105594.db2.gz PVPDCKSZNVERNO-LSDHHAIUSA-N 1 0 273.332 2.437 10 0 CEAERO COc1cccc([C@@H]([C@@H](C)[NH3+])N2CCC[C@@H]2CCCO)c1 ZINC000052757302 524106796 /nfs/dbraw/zinc/10/67/96/524106796.db2.gz CBCHKVVYMLHBKM-FRFSOERESA-N 1 0 292.423 2.320 10 0 CEAERO C[C@@H]1CCCC[N@@H+]1CCCn1ccc(=O)[nH]c1=S ZINC000052312753 524107399 /nfs/dbraw/zinc/10/73/99/524107399.db2.gz NXANPLGHZPWVND-LLVKDONJSA-N 1 0 267.398 2.170 10 0 CEAERO COc1ccc(COC(=O)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000062871365 524109789 /nfs/dbraw/zinc/10/97/89/524109789.db2.gz KWMHIRVQFDZHAL-HNNXBMFYSA-N 1 0 263.337 2.128 10 0 CEAERO COc1ccc(COc2cc3c(cc2C[NH3+])OCO3)cc1 ZINC000068729247 524119987 /nfs/dbraw/zinc/11/99/87/524119987.db2.gz LKUXWWIUHTVYDC-UHFFFAOYSA-N 1 0 287.315 2.462 10 0 CEAERO C[C@@H]1CCCC[C@@H]1NC(=O)C1CCC(C[NH3+])CC1 ZINC000055145755 524133599 /nfs/dbraw/zinc/13/35/99/524133599.db2.gz RJALPCAQQMQFGY-RYSNWHEDSA-N 1 0 252.402 2.446 10 0 CEAERO COc1ccc(C[C@H](C[NH3+])C(=O)N2CCCCCC2)cc1 ZINC000050305157 524154072 /nfs/dbraw/zinc/15/40/72/524154072.db2.gz UHIPGWQHFQYTLZ-OAHLLOKOSA-N 1 0 290.407 2.215 10 0 CEAERO COc1cccc([C@H](C[NH3+])Sc2nnc(C)o2)c1 ZINC000051037788 524159250 /nfs/dbraw/zinc/15/92/50/524159250.db2.gz DEVLEDNCFRLMEF-NSHDSACASA-N 1 0 265.338 2.179 10 0 CEAERO Cc1ccc(C)c(S(=O)(=O)N[C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000063213073 524192020 /nfs/dbraw/zinc/19/20/20/524192020.db2.gz ZSAWLJGKEAYCMN-KBPBESRZSA-N 1 0 296.436 2.242 10 0 CEAERO C[C@@H]1CCCN(C(=O)COc2ccc(C[NH3+])cc2)[C@H]1C ZINC000050563582 524192390 /nfs/dbraw/zinc/19/23/90/524192390.db2.gz PAFUNWCIQNJPCS-OLZOCXBDSA-N 1 0 276.380 2.171 10 0 CEAERO C[C@H]1CCC[C@H](N(C)C(=O)c2ccc(NN)[nH+]c2)C1 ZINC000051095134 524200377 /nfs/dbraw/zinc/20/03/77/524200377.db2.gz YRJLCNREUVGPLP-JQWIXIFHSA-N 1 0 262.357 2.018 10 0 CEAERO Cc1cccc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)c1N ZINC000049500440 524203579 /nfs/dbraw/zinc/20/35/79/524203579.db2.gz ATBBPHPMVLZVBB-ZDUSSCGKSA-N 1 0 275.396 2.181 10 0 CEAERO Cc1cc(C)c(C(=O)CN2CCC[C@H]([NH3+])C2)c(C)c1 ZINC000050149938 524218032 /nfs/dbraw/zinc/21/80/32/524218032.db2.gz RNTHURPQMHHZCW-AWEZNQCLSA-N 1 0 260.381 2.218 10 0 CEAERO C[C@@H]1CCCN(S(=O)(=O)Cc2ccc(C[NH3+])cc2)[C@@H]1C ZINC000050564988 524238023 /nfs/dbraw/zinc/23/80/23/524238023.db2.gz KTLDGWRADYCRAT-CHWSQXEVSA-N 1 0 296.436 2.096 10 0 CEAERO C[C@@H]1CCC[C@@H](C(=O)N2CCC(C)(C)CC2)[C@@H]1[NH3+] ZINC000061824387 524264815 /nfs/dbraw/zinc/26/48/15/524264815.db2.gz GGEAAFKDZVSHSM-JHJVBQTASA-N 1 0 252.402 2.399 10 0 CEAERO C[C@@H]1CCC[C@@H]([N@H+](C)CC2(CO)CCOCC2)C1 ZINC000052199591 524299990 /nfs/dbraw/zinc/29/99/90/524299990.db2.gz DBGBYQXSMSYKLI-ZIAGYGMSSA-N 1 0 255.402 2.286 10 0 CEAERO C[C@H](C[NH+]1CCCC1)NC(=O)c1cccc2[nH]ccc21 ZINC000049189005 524317345 /nfs/dbraw/zinc/31/73/45/524317345.db2.gz KLONGTSEFHTHMO-GFCCVEGCSA-N 1 0 271.364 2.382 10 0 CEAERO C[C@@H]1CCC[C@@H](SCC[NH2+][C@@H]2CCS(=O)(=O)C2)C1 ZINC000054696730 524320613 /nfs/dbraw/zinc/32/06/13/524320613.db2.gz JHDJPYSZSNSNJK-JHJVBQTASA-N 1 0 291.482 2.075 10 0 CEAERO C[C@H](C[NH+]1CCCCC1)N1Cc2cccc(N)c2C1 ZINC000049502415 524327867 /nfs/dbraw/zinc/32/78/67/524327867.db2.gz QCOKTLHVGBXRII-CYBMUJFWSA-N 1 0 259.397 2.459 10 0 CEAERO C[C@H](C[NH+]1CCCCC1)N1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054601270 524328273 /nfs/dbraw/zinc/32/82/73/524328273.db2.gz DPLCBEYMECJHKW-KFWWJZLASA-N 1 0 264.413 2.447 10 0 CEAERO Cc1cccc(CCC(=O)N[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000051986117 524348713 /nfs/dbraw/zinc/34/87/13/524348713.db2.gz AGQMLDOXNZXXAX-CABCVRRESA-N 1 0 260.381 2.314 10 0 CEAERO C[C@H]1CC[C@@H](C[NH3+])CN1C(=O)c1ccc(F)c(F)c1 ZINC000070179527 524348765 /nfs/dbraw/zinc/34/87/65/524348765.db2.gz UMWJCWZKIAWRPY-UWVGGRQHSA-N 1 0 268.307 2.164 10 0 CEAERO C[C@H]1CC[C@@H](C[NH3+])CN1C(=O)c1cccc2cccnc21 ZINC000070179827 524349639 /nfs/dbraw/zinc/34/96/39/524349639.db2.gz YQYAQBVZQKDYMX-STQMWFEESA-N 1 0 283.375 2.434 10 0 CEAERO C[C@H](CN1CCOCC1)[NH2+]Cc1nc2ccccc2s1 ZINC000049504348 524356574 /nfs/dbraw/zinc/35/65/74/524356574.db2.gz RDSVEGXPZNUXGE-GFCCVEGCSA-N 1 0 291.420 2.107 10 0 CEAERO C[C@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)NCCC1CCCC1 ZINC000055130619 524363772 /nfs/dbraw/zinc/36/37/72/524363772.db2.gz FSXDQNJOLDQKMW-YUTCNCBUSA-N 1 0 252.402 2.446 10 0 CEAERO Cc1cccc(CN(C)Cc2cc[nH+]c(NN)c2)c1 ZINC000052722957 524376848 /nfs/dbraw/zinc/37/68/48/524376848.db2.gz XSNLVTJNVIQVMC-UHFFFAOYSA-N 1 0 256.353 2.308 10 0 CEAERO C[C@H]1CC[C@H](C(=O)[O-])[C@H]([NH+]2CCC(C[NH+](C)C)CC2)C1 ZINC000062754213 524388680 /nfs/dbraw/zinc/38/86/80/524388680.db2.gz MCZZGIUQIIMLPJ-AEGPPILISA-N 1 0 282.428 2.149 10 0 CEAERO Cc1cc(C)cc(OCCN(C)C(=O)CC[C@H](C)[NH3+])c1 ZINC000070316425 524446506 /nfs/dbraw/zinc/44/65/06/524446506.db2.gz SSNVKWRLNNYMPS-AWEZNQCLSA-N 1 0 278.396 2.268 10 0 CEAERO C[C@@H](CC[NH+](C)C)NCc1ccc2c(c1)OCCCO2 ZINC000049554413 524477465 /nfs/dbraw/zinc/47/74/65/524477465.db2.gz TVUPUAOMLWEAHL-ZDUSSCGKSA-N 1 0 278.396 2.278 10 0 CEAERO C[C@@H]1CCN(C(=O)[C@@H]2CCCc3ccccc32)C[C@H]1[NH3+] ZINC000070145333 524478237 /nfs/dbraw/zinc/47/82/37/524478237.db2.gz LOGROEHOMIKJEX-DAXOMENPSA-N 1 0 272.392 2.302 10 0 CEAERO C[C@H](C[NH2+]C1CC1)CN1CCc2sccc2C1 ZINC000052382925 524479228 /nfs/dbraw/zinc/47/92/28/524479228.db2.gz UCMVICSSQQKJKY-LLVKDONJSA-N 1 0 250.411 2.494 10 0 CEAERO C[C@H](C[NH2+]C1CC1)Sc1nnc2n1CCCCC2 ZINC000053614938 524479356 /nfs/dbraw/zinc/47/93/56/524479356.db2.gz CDGPOKYUVGNBRH-SNVBAGLBSA-N 1 0 266.414 2.237 10 0 CEAERO C[C@@H](CC[NH+](C)C)Nc1[nH+]c2c(cc1C(=O)[O-])CCC2 ZINC000054531766 524480714 /nfs/dbraw/zinc/48/07/14/524480714.db2.gz QSDAINZRHGCNLL-JTQLQIEISA-N 1 0 277.368 2.021 10 0 CEAERO Cc1ccc(C[NH2+]CCN2C[C@H](C)OC[C@@H]2C)s1 ZINC000053382329 524575790 /nfs/dbraw/zinc/57/57/90/524575790.db2.gz JKRFRKFIABTWKY-RYUDHWBXSA-N 1 0 268.426 2.255 10 0 CEAERO C[C@@H](CN1CCCC1)[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC000048556373 524592731 /nfs/dbraw/zinc/59/27/31/524592731.db2.gz KFKVKHPQVISMFY-SMDDNHRTSA-N 1 0 284.350 2.072 10 0 CEAERO C[C@@H](CN1CCCC1)[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000049151594 524592945 /nfs/dbraw/zinc/59/29/45/524592945.db2.gz BNILVZGMVDPFBV-AWEZNQCLSA-N 1 0 290.407 2.422 10 0 CEAERO C[C@@H]1CC[C@@H](CNC(=O)NC2CCCCC2)C[NH2+]1 ZINC000062037321 524594359 /nfs/dbraw/zinc/59/43/59/524594359.db2.gz FYZAFQAVBRWXIU-VXGBXAGGSA-N 1 0 253.390 2.006 10 0 CEAERO COc1ccccc1NC(=O)C[NH2+]C[C@H](C)CSC ZINC000069448176 524595637 /nfs/dbraw/zinc/59/56/37/524595637.db2.gz WTVZUBPZZSDILT-NSHDSACASA-N 1 0 282.409 2.222 10 0 CEAERO Cc1cc(C=O)ccc1N1CC[NH+](CC2CC2)CC1 ZINC000050544961 524609392 /nfs/dbraw/zinc/60/93/92/524609392.db2.gz WFGBJIZYGYAJHJ-UHFFFAOYSA-N 1 0 258.365 2.340 10 0 CEAERO C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])C[C@@H]1C ZINC000068598670 524609449 /nfs/dbraw/zinc/60/94/49/524609449.db2.gz WPXPZINNBAYCBJ-ITGHMWBKSA-N 1 0 252.402 2.445 10 0 CEAERO COc1ccccc1NC(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000226459808 524609378 /nfs/dbraw/zinc/60/93/78/524609378.db2.gz OQZBUEMZROWLLL-LBPRGKRZSA-N 1 0 277.368 2.301 10 0 CEAERO COc1ccccc1NC(=O)NC[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000062037339 524614911 /nfs/dbraw/zinc/61/49/11/524614911.db2.gz ZKFQNGRAOWZNNI-NEPJUHHUSA-N 1 0 277.368 2.205 10 0 CEAERO C[C@@H](CN1CCOCC1)[NH2+]Cc1nc2ccccc2s1 ZINC000049504346 524628582 /nfs/dbraw/zinc/62/85/82/524628582.db2.gz RDSVEGXPZNUXGE-LBPRGKRZSA-N 1 0 291.420 2.107 10 0 CEAERO C[C@H](Cc1c(F)cccc1F)[NH2+]Cc1ccncn1 ZINC000054789642 524687670 /nfs/dbraw/zinc/68/76/70/524687670.db2.gz LQRRTAJZYAYJAW-SNVBAGLBSA-N 1 0 263.291 2.476 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C)N1C(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000069132930 524697120 /nfs/dbraw/zinc/69/71/20/524697120.db2.gz MYRBKOOPKPBUIU-BQBZGAKWSA-N 1 0 276.167 2.144 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C)N1Cc1cc2c(c(Cl)c1)OCO2 ZINC000069134746 524699965 /nfs/dbraw/zinc/69/99/65/524699965.db2.gz XXXWTIUYIBQZFO-UWVGGRQHSA-N 1 0 282.771 2.251 10 0 CEAERO Cc1cccc(OCCCN2CC[NH2+]CC2(C)C)c1 ZINC000062660461 524734429 /nfs/dbraw/zinc/73/44/29/524734429.db2.gz JSALATCOOYYHAN-UHFFFAOYSA-N 1 0 262.397 2.448 10 0 CEAERO Cc1ccc(Cl)cc1NS(=O)(=O)C[C@H]1CCC[NH2+]1 ZINC000049631633 524757786 /nfs/dbraw/zinc/75/77/86/524757786.db2.gz UOJNDZMHFHVNDU-LLVKDONJSA-N 1 0 288.800 2.142 10 0 CEAERO Cc1cccc(SCC[C@H]([NH2+]C(C)C)C(N)=O)c1 ZINC000062601551 524810273 /nfs/dbraw/zinc/81/02/73/524810273.db2.gz ORYMBHSCDPCAKF-ZDUSSCGKSA-N 1 0 266.410 2.329 10 0 CEAERO C[C@H]([NH3+])CCC(=O)Nc1cc(Cl)ccc1C(=O)N(C)C ZINC000070315076 524830729 /nfs/dbraw/zinc/83/07/29/524830729.db2.gz NGNNHZYQOHXOQG-VIFPVBQESA-N 1 0 297.786 2.108 10 0 CEAERO Cc1cccc([C@@H](C[NH3+])Sc2ncnc3[nH]cnc32)c1 ZINC000051035974 524835322 /nfs/dbraw/zinc/83/53/22/524835322.db2.gz OEVOMBUOCPDHCG-LLVKDONJSA-N 1 0 285.376 2.453 10 0 CEAERO Cc1ccc(F)c([C@](O)([C@@H](C)[NH3+])C(F)(F)F)c1 ZINC000062784288 524836193 /nfs/dbraw/zinc/83/61/93/524836193.db2.gz KMKBGQKHOHWQSY-GMSGAONNSA-N 1 0 251.223 2.231 10 0 CEAERO C[C@H]([NH3+])Cc1nccn1Cc1cccc(F)c1F ZINC000062802883 524836417 /nfs/dbraw/zinc/83/64/17/524836417.db2.gz ITQPUYUWFFCMRP-VIFPVBQESA-N 1 0 251.280 2.099 10 0 CEAERO C[C@H]([NH3+])[C@@H](Sc1nnc2ccccn21)c1cccnc1 ZINC000061406462 524837920 /nfs/dbraw/zinc/83/79/20/524837920.db2.gz IMLCWOLTTCPTRQ-GXFFZTMASA-N 1 0 285.376 2.305 10 0 CEAERO Cc1ccc(F)cc1C(=O)N1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000062666793 524842536 /nfs/dbraw/zinc/84/25/36/524842536.db2.gz AOHOBBIJYNNUOC-CABCVRRESA-N 1 0 276.355 2.491 10 0 CEAERO C[C@@H](C[C@@](C)([NH2+]C1CC1)C(N)=O)Oc1ccc(F)cc1F ZINC000068654788 524853380 /nfs/dbraw/zinc/85/33/80/524853380.db2.gz BSJYHGITVANYAG-BJOHPYRUSA-N 1 0 298.333 2.118 10 0 CEAERO C[C@@H](C[C@](C)([NH3+])C(N)=O)Oc1ccc(C(C)(C)C)cc1 ZINC000068655786 524859491 /nfs/dbraw/zinc/85/94/91/524859491.db2.gz DFWIFHUFDOUBMW-ZBEGNZNMSA-N 1 0 278.396 2.344 10 0 CEAERO C[C@H]([NH3+])c1ccc(NC(=O)NCc2nccs2)cc1 ZINC000049540579 524866854 /nfs/dbraw/zinc/86/68/54/524866854.db2.gz QVWFZYFLVGYDFE-VIFPVBQESA-N 1 0 276.365 2.485 10 0 CEAERO Cc1ccc(N(C)CCN2CCC[NH2+]CC2)c(C)c1 ZINC000061275764 524886071 /nfs/dbraw/zinc/88/60/71/524886071.db2.gz DUEVXAPXDBEUCS-UHFFFAOYSA-N 1 0 261.413 2.035 10 0 CEAERO COc1ccc(OC)c([C@H]([NH3+])c2cccnc2OC)c1 ZINC000061443132 524908667 /nfs/dbraw/zinc/90/86/67/524908667.db2.gz BPGVBTSIVBZPIV-CQSZACIVSA-N 1 0 274.320 2.156 10 0 CEAERO C[C@@H]1C[NH+](CCCCCn2cccn2)C[C@@H](C)O1 ZINC000068454858 524942974 /nfs/dbraw/zinc/94/29/74/524942974.db2.gz CNBRNWJJZMFMEV-ZIAGYGMSSA-N 1 0 251.374 2.163 10 0 CEAERO C[C@@H]1CN(Cc2cc(C[NH2+]C(C)(C)C)no2)C[C@@H](C)O1 ZINC000052380500 524984349 /nfs/dbraw/zinc/98/43/49/524984349.db2.gz BYAJFUBJUHECMX-VXGBXAGGSA-N 1 0 281.400 2.172 10 0 CEAERO Cc1cc(F)ccc1NC(=O)c1ccc(NN)[nH+]c1 ZINC000051112522 524995692 /nfs/dbraw/zinc/99/56/92/524995692.db2.gz ZIOYNCCYTMWGJN-UHFFFAOYSA-N 1 0 260.272 2.067 10 0 CEAERO C[C@@H]([NH3+])CCC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000070315965 524996947 /nfs/dbraw/zinc/99/69/47/524996947.db2.gz XCFIXGVHZJQJGO-GFCCVEGCSA-N 1 0 261.369 2.353 10 0 CEAERO C[C@@H]([NH3+])Cc1cnc(C2(c3ccccc3)CC2)nc1 ZINC000062782338 525000961 /nfs/dbraw/zinc/00/09/61/525000961.db2.gz RBSHAWORWTYZOJ-GFCCVEGCSA-N 1 0 253.349 2.446 10 0 CEAERO C[C@@H]([NH3+])[C@H](Oc1cccc(F)c1F)c1cnn(C)c1 ZINC000062612074 525016048 /nfs/dbraw/zinc/01/60/48/525016048.db2.gz IUUHMYUNRCAKRG-OQPBUACISA-N 1 0 267.279 2.166 10 0 CEAERO COc1ncccc1[C@H]([NH3+])c1ccc2c(c1)CCO2 ZINC000061443270 525077251 /nfs/dbraw/zinc/07/72/51/525077251.db2.gz ZQIXJTULUISOMS-CQSZACIVSA-N 1 0 256.305 2.073 10 0 CEAERO Cc1cc(N2CC[NH+](CC(C)C)CC2)nc(Cl)n1 ZINC000055084663 525079672 /nfs/dbraw/zinc/07/96/72/525079672.db2.gz HFXVNIKXWPIUMJ-UHFFFAOYSA-N 1 0 268.792 2.216 10 0 CEAERO Cc1ccccc1CN(C)C(=O)C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000183191707 525120118 /nfs/dbraw/zinc/12/01/18/525120118.db2.gz ANVVPXAMJNEQRX-HOCLYGCPSA-N 1 0 290.407 2.111 10 0 CEAERO C[C@@H]1COCCN1Cc1oc2ccccc2c1C[NH3+] ZINC000052475966 525128783 /nfs/dbraw/zinc/12/87/83/525128783.db2.gz MGRSZJAKMBZBAQ-LLVKDONJSA-N 1 0 260.337 2.112 10 0 CEAERO CS(=O)(=O)CC[C@H](C[NH2+]C1CC1)Cc1ccc(F)cc1 ZINC000052975071 525132408 /nfs/dbraw/zinc/13/24/08/525132408.db2.gz JUHGPIVBUQUNRO-ZDUSSCGKSA-N 1 0 299.411 2.171 10 0 CEAERO C[C@H](NC(=O)[C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(F)cc1 ZINC000049511943 525177957 /nfs/dbraw/zinc/17/79/57/525177957.db2.gz JCXYGHWZDUZHMP-MDZLAQPJSA-N 1 0 264.344 2.391 10 0 CEAERO COc1ccc([C@@H](C[NH3+])N2CCOC(C)(C)C2)cc1C ZINC000050596691 525179576 /nfs/dbraw/zinc/17/95/76/525179576.db2.gz FQPCZIZGUHGISN-CQSZACIVSA-N 1 0 278.396 2.114 10 0 CEAERO Cc1ccccc1CS[C@@H](C)C(=O)N1CC[NH2+]CC1 ZINC000054964599 525183522 /nfs/dbraw/zinc/18/35/22/525183522.db2.gz HVRZBBHBNTZARZ-ZDUSSCGKSA-N 1 0 278.421 2.049 10 0 CEAERO COc1ccc([C@@H]([NH3+])C2CCOCC2)c(OC)c1OC ZINC000061672119 525190123 /nfs/dbraw/zinc/19/01/23/525190123.db2.gz ZRTWUGHWQCBHFM-ZDUSSCGKSA-N 1 0 281.352 2.139 10 0 CEAERO Cc1ccc(NC(=O)[C@@H](C[NH3+])c2ccccc2)nc1 ZINC000061611007 525197726 /nfs/dbraw/zinc/19/77/26/525197726.db2.gz NQQGEAITUXMEJE-ZDUSSCGKSA-N 1 0 255.321 2.071 10 0 CEAERO C[C@]1(C(=O)OCc2ccccc2F)CCC[NH2+]C1 ZINC000069280874 525232223 /nfs/dbraw/zinc/23/22/23/525232223.db2.gz CLYCFAMWTCUJFV-AWEZNQCLSA-N 1 0 251.301 2.259 10 0 CEAERO C[C@@H](NC(=O)[C@@H](C[NH3+])c1ccccc1)c1cccc(O)c1 ZINC000061611635 525262372 /nfs/dbraw/zinc/26/23/72/525262372.db2.gz PVVKBJLVINEWHF-WBMJQRKESA-N 1 0 284.359 2.312 10 0 CEAERO Cc1cc(NC[C@@H]2CCCC[N@H+]2C)nc(Cl)n1 ZINC000052814876 525273386 /nfs/dbraw/zinc/27/33/86/525273386.db2.gz DVEUHCVCKKWDGH-JTQLQIEISA-N 1 0 254.765 2.335 10 0 CEAERO Cc1ccc(NS(=O)(=O)C[C@@H]2CCC[NH2+]2)cc1Cl ZINC000049632391 525294175 /nfs/dbraw/zinc/29/41/75/525294175.db2.gz ZZWUSQLMGGBUKI-NSHDSACASA-N 1 0 288.800 2.142 10 0 CEAERO Cc1ccccc1O[C@H](C)C[C@@](C)([NH2+]C1CC1)C(N)=O ZINC000068656325 525323392 /nfs/dbraw/zinc/32/33/92/525323392.db2.gz GRGNGLZXZNKWCA-MLGOLLRUSA-N 1 0 276.380 2.148 10 0 CEAERO C[C@]1(c2ccccc2)C[NH2+]CCN1C[C@@H]1CCCCO1 ZINC000068696581 525332014 /nfs/dbraw/zinc/33/20/14/525332014.db2.gz LNZIKIJAJRBANU-DLBZAZTESA-N 1 0 274.408 2.376 10 0 CEAERO C[C@]1(c2ccccc2)CNCC[N@@H+]1CC1CCOCC1 ZINC000068696620 525333015 /nfs/dbraw/zinc/33/30/15/525333015.db2.gz QRCOVJCVSRZOPM-QGZVFWFLSA-N 1 0 274.408 2.234 10 0 CEAERO C[C@H]([NH2+]CCc1ccsc1)C(=O)N1CCCCC1 ZINC000049181363 525370800 /nfs/dbraw/zinc/37/08/00/525370800.db2.gz OHSRPNVRCKKRJD-LBPRGKRZSA-N 1 0 266.410 2.281 10 0 CEAERO C[C@@H]1C[C@H](C)CN(C(=O)[C@@H]2[C@@H](C)CCC[C@@H]2[NH3+])C1 ZINC000055123703 525378316 /nfs/dbraw/zinc/37/83/16/525378316.db2.gz DFGSWKRYWRFTPG-ZUWCUPBKSA-N 1 0 252.402 2.254 10 0 CEAERO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NCC1=CC[NH2+]CC1 ZINC000186364348 525392695 /nfs/dbraw/zinc/39/26/95/525392695.db2.gz FKSJHZNTVGHJEY-HOTGVXAUSA-N 1 0 270.376 2.134 10 0 CEAERO COc1ccc([C@H]2[C@H]([NH3+])CC(=O)N2C(C)C)cc1Cl ZINC000062209506 525435506 /nfs/dbraw/zinc/43/55/06/525435506.db2.gz VAFHZXSOLHPJLL-RISCZKNCSA-N 1 0 282.771 2.358 10 0 CEAERO Cc1cc([C@@H](C)NC(=O)C[C@@H]2CCC[NH2+]C2)c(C)o1 ZINC000054309018 525447297 /nfs/dbraw/zinc/44/72/97/525447297.db2.gz OCCDCUNIXXITQP-YPMHNXCESA-N 1 0 264.369 2.463 10 0 CEAERO Cc1nc[nH]c1CNCCC[N@H+]1CCCC[C@@H]1C ZINC000054793695 525460107 /nfs/dbraw/zinc/46/01/07/525460107.db2.gz ZOZCWUCZJWGDGI-LBPRGKRZSA-N 1 0 250.390 2.072 10 0 CEAERO Cc1cc([C@H]2[C@@H]([NH3+])CC(=O)N2C(C)C)c(C)s1 ZINC000070293762 525552636 /nfs/dbraw/zinc/55/26/36/525552636.db2.gz ZGJRXUVBXBIPBG-AAEUAGOBSA-N 1 0 252.383 2.374 10 0 CEAERO C[C@H](Nc1ccc(Cl)cc1C(N)=O)[C@@H]1CCC[NH2+]C1 ZINC000052858778 525651251 /nfs/dbraw/zinc/65/12/51/525651251.db2.gz XROPUPDRXNVJSV-VHSXEESVSA-N 1 0 281.787 2.239 10 0 CEAERO CSC[C@H](C)C[NH2+]C[C@@H](O)COCc1cccs1 ZINC000069447221 525681451 /nfs/dbraw/zinc/68/14/51/525681451.db2.gz YFBURSRKLCOBCZ-VXGBXAGGSA-N 1 0 289.466 2.214 10 0 CEAERO Cc1cc2ncnn2c(N[C@@H](CC(C)C)C[NH+](C)C)c1 ZINC000049558193 525685252 /nfs/dbraw/zinc/68/52/52/525685252.db2.gz SBVKCQOCBMGDAS-ZDUSSCGKSA-N 1 0 275.400 2.426 10 0 CEAERO C[C@@]([NH3+])(C(=O)N(CCO)C1CCCCC1)c1ccccc1 ZINC000052882156 525743949 /nfs/dbraw/zinc/74/39/49/525743949.db2.gz PKFHHNHHRSNJJO-KRWDZBQOSA-N 1 0 290.407 2.014 10 0 CEAERO C[C@@]([NH3+])(C(=O)NCc1ccc(F)cc1)c1ccccc1 ZINC000052881176 525747398 /nfs/dbraw/zinc/74/73/98/525747398.db2.gz VHDIECVQVKMVKD-INIZCTEOSA-N 1 0 272.323 2.316 10 0 CEAERO Cc1c(Cl)cccc1NS(=O)(=O)C[C@@H]1CCC[NH2+]1 ZINC000049640670 525779331 /nfs/dbraw/zinc/77/93/31/525779331.db2.gz QGWMCPNFNUCVAZ-JTQLQIEISA-N 1 0 288.800 2.142 10 0 CEAERO C[C@@H](O)c1ccc(NC(=O)N[C@H](C)CC[NH+](C)C)cc1 ZINC000049562070 525869371 /nfs/dbraw/zinc/86/93/71/525869371.db2.gz PIFPBMUONMGCPK-VXGBXAGGSA-N 1 0 279.384 2.202 10 0 CEAERO C[C@@]1(c2ccc(F)c(Br)c2)C[C@]1(C[NH3+])CO ZINC000062670140 525889710 /nfs/dbraw/zinc/88/97/10/525889710.db2.gz PUPUDAOYIGOFKW-RYUDHWBXSA-N 1 0 288.160 2.187 10 0 CEAERO C[C@@]1(c2nnc3ccc(C(F)(F)F)cn32)CCC[NH2+]C1 ZINC000062871528 525909335 /nfs/dbraw/zinc/90/93/35/525909335.db2.gz SIUZDRUWUHDPFE-GFCCVEGCSA-N 1 0 284.285 2.389 10 0 CEAERO Cc1ccc(=O)n(C[C@H]([NH3+])c2ccc(OC(C)C)cc2)n1 ZINC000061810420 525978059 /nfs/dbraw/zinc/97/80/59/525978059.db2.gz YDZKSJRSWYANMS-HNNXBMFYSA-N 1 0 287.363 2.039 10 0 CEAERO Cc1ccc2c(c1)C(=O)C(=O)N2CCC[NH2+]C(C)(C)C ZINC000048784689 526136103 /nfs/dbraw/zinc/13/61/03/526136103.db2.gz KGCOQNYQXNWTNE-UHFFFAOYSA-N 1 0 274.364 2.303 10 0 CEAERO C[C@@H](c1nncn1C)n1c(N)[nH+]c2cccc(Cl)c21 ZINC000050420618 526186670 /nfs/dbraw/zinc/18/66/70/526186670.db2.gz GFRMLYDYQNJSSD-ZETCQYMHSA-N 1 0 276.731 2.010 10 0 CEAERO Cc1ccc(C(=O)[C@H](C)N2CCC[NH2+]CC2)cc1C ZINC000050499183 526241220 /nfs/dbraw/zinc/24/12/20/526241220.db2.gz VOSUBZDQUJDMLD-AWEZNQCLSA-N 1 0 260.381 2.170 10 0 CEAERO C[C@H](CC(=O)N[C@H]1COc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000156205145 526247097 /nfs/dbraw/zinc/24/70/97/526247097.db2.gz WNBHKDGPJQPBRT-NFAWXSAZSA-N 1 0 288.391 2.262 10 0 CEAERO Cc1nn(CC[NH+]2CCCC2)c(C)c1Br ZINC000050594473 526280271 /nfs/dbraw/zinc/28/02/71/526280271.db2.gz QXPVRRRMJXQWKF-UHFFFAOYSA-N 1 0 272.190 2.358 10 0 CEAERO O=C([O-])[C@H](CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)[NH2+]C1CC1 ZINC000062451528 526300996 /nfs/dbraw/zinc/30/09/96/526300996.db2.gz NKPVLYPJXMQJBI-GUTXKFCHSA-N 1 0 280.412 2.094 10 0 CEAERO Cc1nn([C@@H](C)C[C@](C)([NH2+]C2CC2)C(N)=O)c(C)c1Cl ZINC000068649808 526301345 /nfs/dbraw/zinc/30/13/45/526301345.db2.gz XZIACOKJQIOCPO-RTHLEPHNSA-N 1 0 298.818 2.100 10 0 CEAERO Cc1nn([C@@H](C[NH3+])C(F)(F)F)c(C)c1Br ZINC000050588713 526301581 /nfs/dbraw/zinc/30/15/81/526301581.db2.gz OXZVNNGMNFKWIP-LURJTMIESA-N 1 0 286.095 2.325 10 0 CEAERO Cc1nn([C@H](C[NH3+])c2cccnc2)c(C)c1Cl ZINC000050586343 526306319 /nfs/dbraw/zinc/30/63/19/526306319.db2.gz ZJYZNEJVMPSRFT-LLVKDONJSA-N 1 0 250.733 2.096 10 0 CEAERO O[C@H]1CCN(c2cccc(Cl)c2C[NH2+]C2CC2)C1 ZINC000061711227 526312187 /nfs/dbraw/zinc/31/21/87/526312187.db2.gz AFHYXYXRUFXFCF-NSHDSACASA-N 1 0 266.772 2.163 10 0 CEAERO O[C@]1(c2cncc3ccccc32)CC[N@@H+](C2CC2)C1 ZINC000069266217 526323219 /nfs/dbraw/zinc/32/32/19/526323219.db2.gz FFQLSOQVSPSUEO-MRXNPFEDSA-N 1 0 254.333 2.291 10 0 CEAERO Fc1ccc(Br)cc1COC1C[NH2+]C1 ZINC000062809860 526324598 /nfs/dbraw/zinc/32/45/98/526324598.db2.gz QMEYZTJMRDDJMD-UHFFFAOYSA-N 1 0 260.106 2.077 10 0 CEAERO O=C([O-])[C@H]1CCC[C@H]1[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062756974 526325294 /nfs/dbraw/zinc/32/52/94/526325294.db2.gz VRYZQLHHDWSLJD-LSDHHAIUSA-N 1 0 280.412 2.048 10 0 CEAERO Oc1ccc2c(c1)OC[C@@H]2N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063188271 526353366 /nfs/dbraw/zinc/35/33/66/526353366.db2.gz WGHBVHFUKAMYHM-XHSDSOJGSA-N 1 0 288.391 2.432 10 0 CEAERO c1c2nc(CC[C@@H]3CCCC[NH2+]3)[nH]c2cc2c1OCCO2 ZINC000050926743 526403324 /nfs/dbraw/zinc/40/33/24/526403324.db2.gz YPMOZAUNSCKTET-NSHDSACASA-N 1 0 287.363 2.409 10 0 CEAERO c1ccc(-c2nnc(CC[NH2+]C[C@@H]3CCCO3)o2)cc1 ZINC000062653067 526455795 /nfs/dbraw/zinc/45/57/95/526455795.db2.gz SKHPLABFOJUFRR-ZDUSSCGKSA-N 1 0 273.336 2.048 10 0 CEAERO c1ccc(C2(c3noc(C[C@H]4CCC[NH2+]4)n3)CC2)cc1 ZINC000062780253 526462386 /nfs/dbraw/zinc/46/23/86/526462386.db2.gz CGZPCQCQGLXMTR-CYBMUJFWSA-N 1 0 269.348 2.444 10 0 CEAERO c1cnc(COc2ccc(C3=CC[NH2+]CC3)cc2)nc1 ZINC000054458740 526540385 /nfs/dbraw/zinc/54/03/85/526540385.db2.gz BNBLNUIPPUUTMB-UHFFFAOYSA-N 1 0 267.332 2.432 10 0 CEAERO c1cnc2cc(-c3nc([C@@H]4CCC[NH2+]C4)no3)ccc2n1 ZINC000062256731 526544653 /nfs/dbraw/zinc/54/46/53/526544653.db2.gz UBAWVUCCHLMKJW-LLVKDONJSA-N 1 0 281.319 2.147 10 0 CEAERO O=C(CC[C@@H]1CCCC[NH2+]1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000050947185 526547023 /nfs/dbraw/zinc/54/70/23/526547023.db2.gz MKGCAANFLMIMRG-KKUMJFAQSA-N 1 0 280.412 2.079 10 0 CEAERO O=C(CC[C@H]1CCCC[NH2+]1)N1CCOc2ccccc2C1 ZINC000050949751 526564900 /nfs/dbraw/zinc/56/49/00/526564900.db2.gz XTHUHXHAXDMVAF-OAHLLOKOSA-N 1 0 288.391 2.330 10 0 CEAERO O=C(CC[C@H]1CCCCO1)N1CCC[C@H]1C1CC[NH2+]CC1 ZINC000069388568 526566386 /nfs/dbraw/zinc/56/63/86/526566386.db2.gz BPHSFWQYBUVGHK-CVEARBPZSA-N 1 0 294.439 2.326 10 0 CEAERO c1csc(CN(CC[NH2+]C2CCOCC2)C2CC2)c1 ZINC000062767879 526579817 /nfs/dbraw/zinc/57/98/17/526579817.db2.gz QAAUNMHOGGGSCM-UHFFFAOYSA-N 1 0 280.437 2.481 10 0 CEAERO Cc1nc(-c2cnccn2)nc(C)c1[C@@H](C)C[NH2+]C1CC1 ZINC000054855054 526619993 /nfs/dbraw/zinc/61/99/93/526619993.db2.gz JBSANCLKRWDEHX-JTQLQIEISA-N 1 0 283.379 2.406 10 0 CEAERO O=C(C[N@H+]1CCC[C@@H]1CCCO)Nc1ccc(F)c(F)c1 ZINC000052762909 526751808 /nfs/dbraw/zinc/75/18/08/526751808.db2.gz LESXIUSOTNTVEL-GFCCVEGCSA-N 1 0 298.333 2.140 10 0 CEAERO O=C(c1cccc(F)c1)N1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000051358373 526764712 /nfs/dbraw/zinc/76/47/12/526764712.db2.gz SYMHNMGFVJCLPK-KGLIPLIRSA-N 1 0 262.328 2.182 10 0 CEAERO Cc1oc(CN2CCOCC2)cc1C[NH2+]C(C)(C)C ZINC000052377772 526771433 /nfs/dbraw/zinc/77/14/33/526771433.db2.gz GNBMROOVLZAOMR-UHFFFAOYSA-N 1 0 266.385 2.308 10 0 CEAERO NC(=[NH2+])c1ccc(N2CCC[C@@H]2CCCO)c(Cl)c1 ZINC000062794306 526822958 /nfs/dbraw/zinc/82/29/58/526822958.db2.gz XHLZROKQQJVZDE-LLVKDONJSA-N 1 0 281.787 2.365 10 0 CEAERO NC(=[NH2+])c1ccc(N(CCO)C2CCCC2)c(Cl)c1 ZINC000062794231 526822966 /nfs/dbraw/zinc/82/29/66/526822966.db2.gz OAZRWDBXRFWMPB-UHFFFAOYSA-N 1 0 281.787 2.365 10 0 CEAERO Cc1occc1CN(C)c1nnc(C)c(C)c1C[NH3+] ZINC000048911962 526827154 /nfs/dbraw/zinc/82/71/54/526827154.db2.gz NJSGKBIBIDVURH-UHFFFAOYSA-N 1 0 260.341 2.090 10 0 CEAERO [NH2+]=C(c1ccc(Br)cc1)N1CCOCC1 ZINC000059925229 526836273 /nfs/dbraw/zinc/83/62/73/526836273.db2.gz HCEMVHWJPZRCOA-UHFFFAOYSA-N 1 0 269.142 2.107 10 0 CEAERO Cc1nc(CN(C)Cc2[nH+]c(NN)ccc2Cl)cs1 ZINC000061631585 526842837 /nfs/dbraw/zinc/84/28/37/526842837.db2.gz KMJDNOCRDVCTBY-UHFFFAOYSA-N 1 0 297.815 2.418 10 0 CEAERO O=C(N[C@@H]1CCCC[NH2+]C1)NC12CC3CC(CC(C3)C1)C2 ZINC000070120530 526885144 /nfs/dbraw/zinc/88/51/44/526885144.db2.gz QVTCKZJJEXDPJM-UZZMVUAXSA-N 1 0 291.439 2.397 10 0 CEAERO Cc1nc(C[C@H]2CCCO2)nc(C)c1CC[NH2+]C(C)C ZINC000054853814 526923753 /nfs/dbraw/zinc/92/37/53/526923753.db2.gz VTAUXBHOGRIFOL-CQSZACIVSA-N 1 0 277.412 2.355 10 0 CEAERO NC(=O)[C@@H](CCSc1ccc(F)c(F)c1)[NH2+]C1CC1 ZINC000062596879 526953709 /nfs/dbraw/zinc/95/37/09/526953709.db2.gz BPCHJEONFUSQST-GFCCVEGCSA-N 1 0 286.347 2.053 10 0 CEAERO O=C1CCCN1c1ccc(C[NH2+]CC2CCOCC2)cc1 ZINC000052175605 526979451 /nfs/dbraw/zinc/97/94/51/526979451.db2.gz NQKZSUHHPWNUKF-UHFFFAOYSA-N 1 0 288.391 2.330 10 0 CEAERO NC(=O)[C@H]([NH3+])CCSc1ccc2ccccc2c1 ZINC000062600528 526994503 /nfs/dbraw/zinc/99/45/03/526994503.db2.gz GHAPXUQDNPVAMX-CYBMUJFWSA-N 1 0 260.362 2.135 10 0 CEAERO O=C1CCc2cc(OCCC[C@H]3CCC[NH2+]3)ccc2N1 ZINC000052765007 526997980 /nfs/dbraw/zinc/99/79/80/526997980.db2.gz XYFAZCKCSFXFST-CYBMUJFWSA-N 1 0 274.364 2.482 10 0 CEAERO NC(=O)c1ccc(N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c(F)c1 ZINC000063190671 527056607 /nfs/dbraw/zinc/05/66/07/527056607.db2.gz QNLQLXPKJQGXAJ-ZFWWWQNUSA-N 1 0 291.370 2.036 10 0 CEAERO O=C1[C@H]([NH2+][C@H](CO)c2ccccc2)CCN1c1ccccc1 ZINC000182895303 527115426 /nfs/dbraw/zinc/11/54/26/527115426.db2.gz RFWLDUPCIRZFLU-IAGOWNOFSA-N 1 0 296.370 2.115 10 0 CEAERO NC(=S)c1ccc(Cl)cc1NCC[NH+]1CCCC1 ZINC000062788551 527118808 /nfs/dbraw/zinc/11/88/08/527118808.db2.gz BEWAKPPKSXQPAZ-UHFFFAOYSA-N 1 0 283.828 2.482 10 0 CEAERO [NH3+]C1(c2nc(-c3nncn3C3CCCC3)c[nH]2)CCC1 ZINC000054526371 527132751 /nfs/dbraw/zinc/13/27/51/527132751.db2.gz GDKOGYZWEUWECP-UHFFFAOYSA-N 1 0 272.356 2.121 10 0 CEAERO [NH3+]CCCN(c1ccccc1)c1nccn(C2CC2)c1=O ZINC000061757742 527178147 /nfs/dbraw/zinc/17/81/47/527178147.db2.gz VZSPTRYRNXTTSQ-UHFFFAOYSA-N 1 0 284.363 2.065 10 0 CEAERO [NH3+]CCCN(c1nccn(C2CC2)c1=O)C1CCCCC1 ZINC000061758564 527180834 /nfs/dbraw/zinc/18/08/34/527180834.db2.gz AXWJYGHDEZJZFI-UHFFFAOYSA-N 1 0 290.411 2.066 10 0 CEAERO O=S(=O)(C[C@@H]1CCC[NH2+]C1)Nc1ccc(Cl)cc1 ZINC000049641618 527182720 /nfs/dbraw/zinc/18/27/20/527182720.db2.gz SUJPXFFTOHSZGU-SNVBAGLBSA-N 1 0 288.800 2.081 10 0 CEAERO [NH3+]CCc1nccn1Cc1ccc(Br)cc1 ZINC000052304159 527198426 /nfs/dbraw/zinc/19/84/26/527198426.db2.gz GDSDEUJGNUZKSE-UHFFFAOYSA-N 1 0 280.169 2.195 10 0 CEAERO [NH3+]C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC000061611025 527202185 /nfs/dbraw/zinc/20/21/85/527202185.db2.gz SRHXDAFNRDCQHG-CYBMUJFWSA-N 1 0 284.315 2.096 10 0 CEAERO [NH3+]C[C@@H](Cc1ccccc1)NC(=O)CC[C@H]1CCCCO1 ZINC000069405618 527203196 /nfs/dbraw/zinc/20/31/96/527203196.db2.gz LUMQBNBWHFJBBD-HZPDHXFCSA-N 1 0 290.407 2.022 10 0 CEAERO [NH3+]C[C@@H](c1ccncc1)n1cc(-c2ccccc2)cn1 ZINC000054960968 527207601 /nfs/dbraw/zinc/20/76/01/527207601.db2.gz YNUMWVJYCHQXGH-INIZCTEOSA-N 1 0 264.332 2.493 10 0 CEAERO [NH3+]C[C@@H]1Cc2ccccc2CN1c1ccc(F)cn1 ZINC000053664361 527220720 /nfs/dbraw/zinc/22/07/20/527220720.db2.gz SZAASFMVMQNCLV-AWEZNQCLSA-N 1 0 257.312 2.111 10 0 CEAERO [NH3+]C[C@H](C(=O)N(CC(F)(F)F)C1CC1)c1ccccc1 ZINC000061613010 527222668 /nfs/dbraw/zinc/22/26/68/527222668.db2.gz FYLYXMYWLNPBQQ-LBPRGKRZSA-N 1 0 286.297 2.282 10 0 CEAERO [NH3+]C[C@H](c1nnc2n1CCCCC2)c1ccccc1 ZINC000061609320 527230089 /nfs/dbraw/zinc/23/00/89/527230089.db2.gz YNTJLTBBFBVNEQ-ZDUSSCGKSA-N 1 0 256.353 2.095 10 0 CEAERO [NH3+]Cc1ccc(CNC(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000063003859 527253113 /nfs/dbraw/zinc/25/31/13/527253113.db2.gz LXVZKDJHYWWPTB-UHFFFAOYSA-N 1 0 294.276 2.493 10 0 CEAERO [NH3+]Cc1ccc(NC(=O)C2(c3ccccc3)CC2)nc1 ZINC000061617541 527256423 /nfs/dbraw/zinc/25/64/23/527256423.db2.gz CYSJLBYLTUUFEP-UHFFFAOYSA-N 1 0 267.332 2.211 10 0 CEAERO NNc1cc(C(=O)Nc2ccc(F)c(Cl)c2)cc[nH+]1 ZINC000051122334 527273241 /nfs/dbraw/zinc/27/32/41/527273241.db2.gz LJNLJIYEVPKEJY-UHFFFAOYSA-N 1 0 280.690 2.412 10 0 CEAERO NNc1cc(C(=O)Nc2cccc3ncccc32)cc[nH+]1 ZINC000051089936 527273970 /nfs/dbraw/zinc/27/39/70/527273970.db2.gz CEBQJIBORIJHBG-UHFFFAOYSA-N 1 0 279.303 2.168 10 0 CEAERO NNc1ccc(Cl)c(Cn2cnc3ccccc32)[nH+]1 ZINC000061639192 527280693 /nfs/dbraw/zinc/28/06/93/527280693.db2.gz ZBSINSMDYKQRGN-UHFFFAOYSA-N 1 0 273.727 2.419 10 0 CEAERO [NH3+][C@@H](CC[C@@H]1CCCCO1)c1ccc2[nH]c(=O)oc2c1 ZINC000069389710 527331806 /nfs/dbraw/zinc/33/18/06/527331806.db2.gz CSTSIVGFTWBGLE-RYUDHWBXSA-N 1 0 276.336 2.470 10 0 CEAERO [NH3+][C@@H](c1ccc(Cl)cc1Cl)[C@H]1COCCO1 ZINC000055301067 527338944 /nfs/dbraw/zinc/33/89/44/527338944.db2.gz QQGXCVSSJOZHCS-MNOVXSKESA-N 1 0 262.136 2.409 10 0 CEAERO [NH3+][C@@H](c1cncnc1)c1cccc(Br)c1 ZINC000052887008 527339518 /nfs/dbraw/zinc/33/95/18/527339518.db2.gz QRAKJPFUMHPYTA-LLVKDONJSA-N 1 0 264.126 2.287 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1NC(=O)Cc1c(F)cccc1Cl ZINC000063172442 527353121 /nfs/dbraw/zinc/35/31/21/527353121.db2.gz OQOMWMUYVOEDNO-NEPJUHHUSA-N 1 0 270.735 2.018 10 0 CEAERO [NH3+][C@@H]1COc2cc(OC[C@H](O)c3ccccc3)ccc21 ZINC000062803660 527376342 /nfs/dbraw/zinc/37/63/42/527376342.db2.gz OOOHVHBBKAXODN-CABCVRRESA-N 1 0 271.316 2.191 10 0 CEAERO [NH3+][C@H](C(=O)NCc1ccc(F)c(F)c1)c1ccccc1 ZINC000049578093 527380342 /nfs/dbraw/zinc/38/03/42/527380342.db2.gz NLYAYNQCVUQOFX-AWEZNQCLSA-N 1 0 276.286 2.281 10 0 CEAERO [NH3+][C@H]1CCC(=O)N(C2CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000062211683 527393666 /nfs/dbraw/zinc/39/36/66/527393666.db2.gz AHDOBIWVGGYWSX-GXTWGEPZSA-N 1 0 264.756 2.493 10 0 CEAERO [NH3+][C@H]1CCCCC[C@H]1NC(=O)c1c(F)cccc1F ZINC000063210946 527394876 /nfs/dbraw/zinc/39/48/76/527394876.db2.gz VGGAHSSYCJBWMU-NWDGAFQWSA-N 1 0 268.307 2.355 10 0 CEAERO [NH3+][C@H]1CCC[C@H](C(=O)OCc2ccccc2F)C1 ZINC000069280601 527406515 /nfs/dbraw/zinc/40/65/15/527406515.db2.gz DBQYXEGKXPZHRL-JQWIXIFHSA-N 1 0 251.301 2.386 10 0 CEAERO [NH3+][C@H]1COc2cc(OCCOCC(F)(F)F)ccc21 ZINC000062803449 527417622 /nfs/dbraw/zinc/41/76/22/527417622.db2.gz ONFNBVCRXNRBGO-JTQLQIEISA-N 1 0 277.242 2.037 10 0 CEAERO Nc1ccc(N2CC[C@H]([NH+]3CCCC3)C2)c2cccnc12 ZINC000062976003 527491148 /nfs/dbraw/zinc/49/11/48/527491148.db2.gz ZKLHNIRRYGXQHN-ZDUSSCGKSA-N 1 0 282.391 2.492 10 0 CEAERO Cc1ncsc1CCOCc1occc1C[NH3+] ZINC000052623458 527491453 /nfs/dbraw/zinc/49/14/53/527491453.db2.gz RKJIUYXTCRDHNS-UHFFFAOYSA-N 1 0 252.339 2.263 10 0 CEAERO Nc1cnn(CC[N@@H+]2CCC[C@@H]2c2ccccc2)c1 ZINC000050614717 527538559 /nfs/dbraw/zinc/53/85/59/527538559.db2.gz IQNQURBNGDCRBI-OAHLLOKOSA-N 1 0 256.353 2.302 10 0 CEAERO Nc1[nH+]c2cc(Br)ccc2n1C[C@@H]1CCOC1 ZINC000061146977 527561475 /nfs/dbraw/zinc/56/14/75/527561475.db2.gz XOLWFPQDYGBKBY-QMMMGPOBSA-N 1 0 296.168 2.418 10 0 CEAERO Nc1[nH+]c2cccc(Cl)c2n1[C@@H]1CCCS(=O)(=O)C1 ZINC000069145418 527561547 /nfs/dbraw/zinc/56/15/47/527561547.db2.gz RSWLSNTVKUKWLX-MRVPVSSYSA-N 1 0 299.783 2.022 10 0 CEAERO Cc1nn(-c2nc3c(cc2C[NH3+])CCC3)c(C)c1Cl ZINC000050585741 527570246 /nfs/dbraw/zinc/57/02/46/527570246.db2.gz KXQXQUMFADQYKG-UHFFFAOYSA-N 1 0 276.771 2.485 10 0 CEAERO FC(F)(F)CN1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC000068694648 527667910 /nfs/dbraw/zinc/66/79/10/527667910.db2.gz SPBZCMAMZDGAAH-LBPRGKRZSA-N 1 0 258.287 2.065 10 0 CEAERO CCC1(CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000178161779 527736516 /nfs/dbraw/zinc/73/65/16/527736516.db2.gz NLDVCEJYULHTIT-HNNXBMFYSA-N 1 0 274.408 2.466 10 0 CEAERO CCCc1ccc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000116782968 528615825 /nfs/dbraw/zinc/61/58/25/528615825.db2.gz FYGHQWAXMVPGJO-MRXNPFEDSA-N 1 0 290.407 2.042 10 0 CEAERO CCC(CC)(C[NH3+])N1CCN(c2ccccc2F)CC1 ZINC000037746563 534936218 /nfs/dbraw/zinc/93/62/18/534936218.db2.gz SYLFUBRCJIRJSY-UHFFFAOYSA-N 1 0 279.403 2.465 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000262469653 535675332 /nfs/dbraw/zinc/67/53/32/535675332.db2.gz NLIQJYCLCPVWOX-YZIJFISFSA-N 1 0 296.436 2.071 10 0 CEAERO COc1ccc(Br)cc1N1CC[NH2+][C@@H](C)C1 ZINC000083062837 536639767 /nfs/dbraw/zinc/63/97/67/536639767.db2.gz ZIQNECZBNMQMJY-VIFPVBQESA-N 1 0 285.185 2.256 10 0 CEAERO CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)C1CC[NH2+]CC1 ZINC000262119767 536668594 /nfs/dbraw/zinc/66/85/94/536668594.db2.gz JKHMMMZUDRMYGA-ABAIWWIYSA-N 1 0 294.370 2.018 10 0 CEAERO COc1ncnc(N2CCC[C@H](C[NH2+]C(C)(C)C)C2)c1C ZINC000090789066 536905459 /nfs/dbraw/zinc/90/54/59/536905459.db2.gz QUUYXENRMPOKNM-CYBMUJFWSA-N 1 0 292.427 2.398 10 0 CEAERO COc1cccc2c1N(C(=O)[C@H]1CCCC[C@@H]1[NH3+])CCC2 ZINC000085369549 536958403 /nfs/dbraw/zinc/95/84/03/536958403.db2.gz MJEMVNJSIGRPRA-KBPBESRZSA-N 1 0 288.391 2.492 10 0 CEAERO COc1cccc2c1N(C(=O)C[C@@H]1CCC[NH2+]1)CCC2 ZINC000042170261 536958606 /nfs/dbraw/zinc/95/86/06/536958606.db2.gz SQSXZVJRJQGZJC-ZDUSSCGKSA-N 1 0 274.364 2.117 10 0 CEAERO COc1ccc2c(c1)CCCN2C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085371389 536969417 /nfs/dbraw/zinc/96/94/17/536969417.db2.gz ZFOOUAKTTLKTSR-HUUCEWRRSA-N 1 0 288.391 2.492 10 0 CEAERO COc1cccc(N2CC[NH+](CC(C)(C)[C@H](C)O)CC2)c1 ZINC000091405735 537122892 /nfs/dbraw/zinc/12/28/92/537122892.db2.gz OXPFGSOEKIELRE-AWEZNQCLSA-N 1 0 292.423 2.224 10 0 CEAERO CC(C)C1CCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000227430874 538836827 /nfs/dbraw/zinc/83/68/27/538836827.db2.gz YEHANQGDFQLTCL-KBPBESRZSA-N 1 0 252.402 2.256 10 0 CEAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@H]1c1cc(Cl)ccn1 ZINC000757185866 574511664 /nfs/dbraw/zinc/51/16/64/574511664.db2.gz BCJQYRDFWBSDJQ-MNOVXSKESA-N 1 0 282.771 2.380 10 0 CEAERO FC(F)(F)[C@@H]1CCC[C@]2(C1)[NH2+]C1(COC1)CCO2 ZINC000757143499 574510329 /nfs/dbraw/zinc/51/03/29/574510329.db2.gz DIVSBJZORBIUTF-KOLCDFICSA-N 1 0 265.275 2.214 10 0 CEAERO CC1(C)C[NH2+][C@@]2(CCCSC2)O[C@]12CCCOC2 ZINC000757147215 574510478 /nfs/dbraw/zinc/51/04/78/574510478.db2.gz SBIHPUJWQGFMDH-KBPBESRZSA-N 1 0 271.426 2.405 10 0 CEAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]CC12CC(CF)(CF)C2 ZINC000757184503 574511591 /nfs/dbraw/zinc/51/15/91/574511591.db2.gz KUCDROZZDAGNBG-SNVBAGLBSA-N 1 0 275.339 2.253 10 0 CEAERO [NH3+]Cc1ccc(-c2ccc(C(F)(F)F)nc2)nn1 ZINC000757570408 574514181 /nfs/dbraw/zinc/51/41/81/574514181.db2.gz FVUFJGHYXALFPV-UHFFFAOYSA-N 1 0 254.215 2.016 10 0 CEAERO CC(C)(C)OC(=O)N[C@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037362328 570248362 /nfs/dbraw/zinc/24/83/62/570248362.db2.gz DDJIZZDNKQZUEE-GFCCVEGCSA-N 1 0 278.352 2.146 10 0 CEAERO CCn1cnnc1C1CC[NH+](CCCCCCO)CC1 ZINC000175761790 622674608 /nfs/dbraw/zinc/67/46/08/622674608.db2.gz HQYVASKYNAESKB-UHFFFAOYSA-N 1 0 280.416 2.030 10 0 CEAERO O[C@@H](C[NH+]1CCN(C/C=C\Cl)CC1)c1ccccc1 ZINC000254986887 622716232 /nfs/dbraw/zinc/71/62/32/622716232.db2.gz BDLYUFAPYIPVGB-QZDDGCDVSA-N 1 0 280.799 2.090 10 0 CEAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(Cl)cn1 ZINC000757189891 622961210 /nfs/dbraw/zinc/96/12/10/622961210.db2.gz OGSRUBBKCKLEAZ-QWRGUYRKSA-N 1 0 282.771 2.380 10 0 CEAERO Nc1[nH+]ccn1Cc1cc(F)ccc1Br ZINC000236347670 623363536 /nfs/dbraw/zinc/36/35/36/623363536.db2.gz QVYLHCYIGZMJOD-UHFFFAOYSA-N 1 0 270.105 2.415 10 0 CEAERO C[NH+](C)[C@H]1CCCN(C[C@H](O)c2cc3ccccc3o2)C1 ZINC000091431199 623564825 /nfs/dbraw/zinc/56/48/25/623564825.db2.gz BXBBFGUKSHTYQE-GJZGRUSLSA-N 1 0 288.391 2.492 10 0 CEAERO C[C@H]1C[N@H+](C[C@](C)(O)c2ccccc2)CC(C)(C)O1 ZINC000052097446 625662832 /nfs/dbraw/zinc/66/28/32/625662832.db2.gz ZBHQYEMYRHILBR-BBRMVZONSA-N 1 0 263.381 2.393 10 0 CEAERO C[C@H]1CN(Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1[NH3+] ZINC000235660956 625698564 /nfs/dbraw/zinc/69/85/64/625698564.db2.gz OYMUUDBPYFREIE-CABZTGNLSA-N 1 0 274.286 2.364 10 0 CEAERO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)nc1)[C@H](C)O ZINC000309061783 624488713 /nfs/dbraw/zinc/48/87/13/624488713.db2.gz XDSPLKHXCVCMJX-VGMNWLOBSA-N 1 0 273.174 2.264 10 0 CEAERO C[C@H](Nc1cnc2ccccc2n1)[C@H]1CCC[NH2+]C1 ZINC000052017890 624731395 /nfs/dbraw/zinc/73/13/95/624731395.db2.gz VUOHYIFHGUMNIL-RYUDHWBXSA-N 1 0 256.353 2.430 10 0 CEAERO FC(F)(F)c1ccc(OCCN[C@@H]2CC[NH2+]C2)cc1 ZINC000262211937 624743280 /nfs/dbraw/zinc/74/32/80/624743280.db2.gz TWENIPKBLLJJFX-LLVKDONJSA-N 1 0 274.286 2.036 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cc2c(s1)CCC2 ZINC000189299597 625099352 /nfs/dbraw/zinc/09/93/52/625099352.db2.gz VBHPKNKZEUYEEO-MWLCHTKSSA-N 1 0 264.394 2.107 10 0 CEAERO C[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000235297717 625259947 /nfs/dbraw/zinc/25/99/47/625259947.db2.gz QZPMYRYDPAHTCT-WOPDTQHZSA-N 1 0 254.374 2.384 10 0 CEAERO Cc1cc([C@@H](C)NC(=O)[C@@H]2C[NH2+]C[C@H]2C)c(C)s1 ZINC000235297211 625260171 /nfs/dbraw/zinc/26/01/71/625260171.db2.gz KZYZDJBRMAFMJX-ZDSQKVDBSA-N 1 0 266.410 2.398 10 0 CEAERO CC1=C[C@H](C)C[C@H](C[NH2+][C@@H]2CCCN(CCO)C2)C1 ZINC000395245655 628007470 /nfs/dbraw/zinc/00/74/70/628007470.db2.gz REXPAMLICGHMLK-CWRNSKLLSA-N 1 0 266.429 2.025 10 0 CEAERO Cc1ccnc(-c2noc(CC[C@H]3CCC[NH2+]3)n2)c1 ZINC000312019960 628061319 /nfs/dbraw/zinc/06/13/19/628061319.db2.gz KUJWBCZGQKEDBI-LLVKDONJSA-N 1 0 258.325 2.125 10 0 CEAERO CCOC[C@@H]1CC[N@H+](C[C@](C)(O)c2ccccc2)C1 ZINC000081519954 628174793 /nfs/dbraw/zinc/17/47/93/628174793.db2.gz VVUALZZVGQSMOX-ZBFHGGJFSA-N 1 0 263.381 2.253 10 0 CEAERO Cc1ccc(F)c(C(=O)N2C[C@@H]3CC[N@@H+](C)C[C@H]3C2)c1 ZINC000313078682 628578402 /nfs/dbraw/zinc/57/84/02/628578402.db2.gz WQEWUUIBQCLFQI-STQMWFEESA-N 1 0 276.355 2.158 10 0 CEAERO Cc1cccc(Cc2noc(C[C@@H]([NH3+])C(C)C)n2)c1 ZINC000104070391 628630333 /nfs/dbraw/zinc/63/03/33/628630333.db2.gz WDPHRYILGFTAGG-CYBMUJFWSA-N 1 0 259.353 2.495 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)N(C)C)c(C)c1 ZINC000236897475 628740444 /nfs/dbraw/zinc/74/04/44/628740444.db2.gz HPKMXZYOOLLPIK-IINYFYTJSA-N 1 0 291.395 2.009 10 0 CEAERO CC(C)c1cccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000236806261 628803309 /nfs/dbraw/zinc/80/33/09/628803309.db2.gz HUJDVYXWHPCQKA-UKRRQHHQSA-N 1 0 296.436 2.216 10 0 CEAERO c1ccc2c(c1)OC[C@H]2[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000094373267 628836676 /nfs/dbraw/zinc/83/66/76/628836676.db2.gz DFOZEFSTVZKCFT-DZGCQCFKSA-N 1 0 289.375 2.438 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(Br)nc1 ZINC000226393170 628904103 /nfs/dbraw/zinc/90/41/03/628904103.db2.gz CLRHZVMYTXLQGU-GMSGAONNSA-N 1 0 286.173 2.156 10 0 CEAERO c1ccc2nc(N3CC[C@H]4[NH2+]CC[C@H]4C3)ccc2c1 ZINC000261582973 628942071 /nfs/dbraw/zinc/94/20/71/628942071.db2.gz HAAHOJONUGCOCH-UONOGXRCSA-N 1 0 253.349 2.423 10 0 CEAERO CCCS(=O)(=O)CC[NH2+][C@H](C)c1cccc(C)c1 ZINC000233255403 628953034 /nfs/dbraw/zinc/95/30/34/628953034.db2.gz XBXYGXNHPVCDJX-CYBMUJFWSA-N 1 0 269.410 2.470 10 0 CEAERO C[C@H](C(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000261631246 628953195 /nfs/dbraw/zinc/95/31/95/628953195.db2.gz VZQYKHAQHALAST-RMRHIDDWSA-N 1 0 260.381 2.293 10 0 CEAERO Cn1nccc1C1CC[NH+](Cc2cccc(N)c2)CC1 ZINC000261692786 629084373 /nfs/dbraw/zinc/08/43/73/629084373.db2.gz NEWDFTCSQPAFOU-UHFFFAOYSA-N 1 0 270.380 2.382 10 0 CEAERO CC(=O)Nc1cc(NC(=O)CC[C@H]2CCC[NH2+]2)ccc1C ZINC000261696458 629091777 /nfs/dbraw/zinc/09/17/77/629091777.db2.gz NSOSOTFXVSWZGC-CYBMUJFWSA-N 1 0 289.379 2.424 10 0 CEAERO CCC(CC)(C[NH3+])C(=O)NC[C@H](O)c1cccc(Cl)c1 ZINC000261711972 629145431 /nfs/dbraw/zinc/14/54/31/629145431.db2.gz DPYWNLKBLYQRES-ZDUSSCGKSA-N 1 0 298.814 2.255 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)[C@H](C)Oc1ccc(Cl)cc1C 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C[C@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1ccc(F)c(F)c1 ZINC000126892596 650995361 /nfs/dbraw/zinc/99/53/61/650995361.db2.gz WNNCNGSDFGDOCS-GXSJLCMTSA-N 1 0 289.347 2.193 10 0 CEAERO CSC(C)(C)CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000122419819 648350396 /nfs/dbraw/zinc/35/03/96/648350396.db2.gz MLMZQGBZYYJJDM-NEPJUHHUSA-N 1 0 287.473 2.156 10 0 CEAERO C[C@H](NC(=O)C[C@@H]([NH3+])C1CC1)c1ccc(F)c(F)c1 ZINC000123661677 649096231 /nfs/dbraw/zinc/09/62/31/649096231.db2.gz VLTAYGKKNRVSKD-ISVAXAHUSA-N 1 0 268.307 2.269 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1Nc1ncccc1Br ZINC000129547006 652012380 /nfs/dbraw/zinc/01/23/80/652012380.db2.gz RUDODYIECMKLLE-PSASIEDQSA-N 1 0 270.174 2.397 10 0 CEAERO O=C(NC[C@H]1CC[NH2+]C1)Nc1ccccc1C(F)(F)F ZINC000131864541 652474548 /nfs/dbraw/zinc/47/45/48/652474548.db2.gz HFCFNMQVKZZCOE-VIFPVBQESA-N 1 0 287.285 2.436 10 0 CEAERO Cc1cnc(=S)n(CN2CCC[C@H]2c2cnn(C)c2)c1 ZINC000132395005 652517729 /nfs/dbraw/zinc/51/77/29/652517729.db2.gz GENPBLLJFZFQHH-ZDUSSCGKSA-N 1 0 289.408 2.449 10 0 CEAERO COc1c(C[NH2+]CCC2CCCC2)c(C)nn1C ZINC000134114644 652772529 /nfs/dbraw/zinc/77/25/29/652772529.db2.gz SMRSZFWHZCITDI-UHFFFAOYSA-N 1 0 251.374 2.407 10 0 CEAERO CCn1cc(C[NH2+][C@@H]2CCC[C@@H]([S@@](=O)CC)C2)cn1 ZINC000096455599 230377269 /nfs/dbraw/zinc/37/72/69/230377269.db2.gz KCUYJEJYCWRULK-PJIJBLCYSA-N 1 0 283.441 2.072 10 0 CEAERO Cc1nc2ccccc2nc1N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000086470984 282089346 /nfs/dbraw/zinc/08/93/46/282089346.db2.gz YKEPOXYLMRNLLR-QWRGUYRKSA-N 1 0 256.353 2.125 10 0 CEAERO Brc1ccc(C[C@@H]2CCC[NH2+]C2)nc1 ZINC000095826406 185029199 /nfs/dbraw/zinc/02/91/99/185029199.db2.gz UYSBANGESHKWRN-VIFPVBQESA-N 1 0 255.159 2.386 10 0 CEAERO COc1cc(OC)c(C[C@H]2CCC[NH2+]2)c(OC)c1 ZINC000082619462 178127805 /nfs/dbraw/zinc/12/78/05/178127805.db2.gz KUCYZEKNYIFJJG-SNVBAGLBSA-N 1 0 251.326 2.007 10 0 CEAERO CC[C@@H](CC(N)=S)[N@H+](C)Cc1scnc1C ZINC000082633066 178141475 /nfs/dbraw/zinc/14/14/75/178141475.db2.gz JMTGJJOLLFYHMO-VIFPVBQESA-N 1 0 257.428 2.338 10 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259.396 2.052 10 0 CEAERO O[C@@H]1CCCC[C@H]1[C@@H]1CCC[N@@H+]1CC1CCOCC1 ZINC000124577938 365654597 /nfs/dbraw/zinc/65/45/97/365654597.db2.gz CDBDZPJNRGXJJL-HRCADAONSA-N 1 0 267.413 2.429 10 0 CEAERO [NH3+][C@H](CCO)CSc1cccc(Br)c1 ZINC000082988992 178332511 /nfs/dbraw/zinc/33/25/11/178332511.db2.gz ZAKLCEWLAGLDLR-SECBINFHSA-N 1 0 276.199 2.251 10 0 CEAERO O[C@@H]1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1CC1(O)CCCC1 ZINC000124718003 365658768 /nfs/dbraw/zinc/65/87/68/365658768.db2.gz DLSAWEWNVLXGKX-QLFBSQMISA-N 1 0 267.413 2.307 10 0 CEAERO Fc1ccc(N2CCC[NH2+]CC2)c(Br)c1 ZINC000083092301 178337554 /nfs/dbraw/zinc/33/75/54/178337554.db2.gz WOXZYLNKFYMZDS-UHFFFAOYSA-N 1 0 273.149 2.388 10 0 CEAERO CCC1(C[N@@H+]2CC[C@H](C)[S@@](=O)CC2)CCOCC1 ZINC000336581557 365674050 /nfs/dbraw/zinc/67/40/50/365674050.db2.gz DWUZNWBJTFNSEJ-UGSOOPFHSA-N 1 0 273.442 2.036 10 0 CEAERO C[C@](O)(C[NH3+])CSc1cccc(Br)c1 ZINC000082916820 178329451 /nfs/dbraw/zinc/32/94/51/178329451.db2.gz GXPYLTUBBLFYCC-JTQLQIEISA-N 1 0 276.199 2.251 10 0 CEAERO Cc1ccc(C(=O)CCN2C[C@H](C)[C@H]([NH+](C)C)C2)cc1 ZINC000125180898 187173389 /nfs/dbraw/zinc/17/33/89/187173389.db2.gz UNUOPIPOHVQPNN-GOEBONIOSA-N 1 0 274.408 2.450 10 0 CEAERO C[C@H]1CO[C@@H](c2ccccc2Br)C[NH2+]1 ZINC000036673409 361850050 /nfs/dbraw/zinc/85/00/50/361850050.db2.gz HIMIAVYXAVUXDB-GZMMTYOYSA-N 1 0 256.143 2.499 10 0 CEAERO CCNC(=O)C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000036780437 361856738 /nfs/dbraw/zinc/85/67/38/361856738.db2.gz FAZFHZOCAANTOG-SECBINFHSA-N 1 0 285.185 2.236 10 0 CEAERO CC(C)(C)OC(=O)N1CCC2(C[C@@H]([NH3+])CS2)CC1 ZINC000096944295 185135087 /nfs/dbraw/zinc/13/50/87/185135087.db2.gz PPITXYYFYAVLEK-SNVBAGLBSA-N 1 0 272.414 2.220 10 0 CEAERO C[N@@H+]1CC[C@@]2(C1)C[C@@H](O)c1cc(Br)ccc1O2 ZINC000097004736 185150685 /nfs/dbraw/zinc/15/06/85/185150685.db2.gz CYXSQJHHFFYTMC-YPMHNXCESA-N 1 0 298.180 2.339 10 0 CEAERO CCc1ccc([C@H](C)[NH2+]C[C@@H](O)Cn2cccn2)cc1 ZINC000038012718 361980053 /nfs/dbraw/zinc/98/00/53/361980053.db2.gz RUESTIHTZPCNDU-XJKSGUPXSA-N 1 0 273.380 2.157 10 0 CEAERO COCCc1ccc(OC[C@@H](O)C[NH2+]C(C)(C)C)cc1 ZINC000038879066 361986942 /nfs/dbraw/zinc/98/69/42/361986942.db2.gz VDUCSSAVCWUDKH-AWEZNQCLSA-N 1 0 281.396 2.003 10 0 CEAERO CCCC[NH2+]CC1=CC2=CC=C[C@H]3CCN(C1=O)[C@H]23 ZINC000039287387 361987399 /nfs/dbraw/zinc/98/73/99/361987399.db2.gz SSSGBWKAGIYVJB-WFASDCNBSA-N 1 0 258.365 2.029 10 0 CEAERO Cc1c(C[NH2+]C[C@@H]2CCC3(CCCC3)O2)cnn1C ZINC000226384079 539167541 /nfs/dbraw/zinc/16/75/41/539167541.db2.gz RQWVYKDQAACXMN-AWEZNQCLSA-N 1 0 263.385 2.310 10 0 CEAERO Cc1c2cc(Br)ccc2nc(N)c1C[NH3+] ZINC000725243897 539190879 /nfs/dbraw/zinc/19/08/79/539190879.db2.gz CLZAVOLNDCXMBK-UHFFFAOYSA-N 1 0 266.142 2.347 10 0 CEAERO CC[C@@H]1CN(CCOc2cccc(C)c2)[C@H](C)C[NH2+]1 ZINC000083457094 178473313 /nfs/dbraw/zinc/47/33/13/178473313.db2.gz CYABUHWBQCHVKH-HUUCEWRRSA-N 1 0 262.397 2.446 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C[C@@H](C)COC ZINC000094434328 539195357 /nfs/dbraw/zinc/19/53/57/539195357.db2.gz RSGVMGKRZWMWHP-RBSFLKMASA-N 1 0 254.418 2.218 10 0 CEAERO CCc1cc2c(ncnc2N2C[C@@H]([NH3+])C[C@@H]2C)s1 ZINC000385275788 539198739 /nfs/dbraw/zinc/19/87/39/539198739.db2.gz UMOHLBVDLQTXFD-IUCAKERBSA-N 1 0 262.382 2.180 10 0 CEAERO CCCNC(=O)NC[C@@H]([NH3+])C1CCC(C)(C)CC1 ZINC000725254850 539200522 /nfs/dbraw/zinc/20/05/22/539200522.db2.gz GYYBTMFYEQUYEY-GFCCVEGCSA-N 1 0 255.406 2.239 10 0 CEAERO CC(C)CC(=O)N1CC[C@@H]2CC[C@@]21[C@H]1CCC[NH2+]C1 ZINC000725263582 539212114 /nfs/dbraw/zinc/21/21/14/539212114.db2.gz SGEJUHUDGNLAKV-DZKIICNBSA-N 1 0 264.413 2.413 10 0 CEAERO CC(C)[C@H](C)NC(=O)N[C@@]12CC[NH2+][C@@H]1CCCC2 ZINC000725264053 539212668 /nfs/dbraw/zinc/21/26/68/539212668.db2.gz BAMDMYOIHHLTDA-SCRDCRAPSA-N 1 0 253.390 2.005 10 0 CEAERO CC(C)(C)OC(=O)[C@]1(C)CC2(C[C@@H]1[NH3+])CCOCC2 ZINC000725266666 539213849 /nfs/dbraw/zinc/21/38/49/539213849.db2.gz UEQUKFUTZPSLNS-SMDDNHRTSA-N 1 0 269.385 2.252 10 0 CEAERO CCNC(=O)N1CCCc2c1cccc2C(C)(C)[NH3+] ZINC000725270988 539215511 /nfs/dbraw/zinc/21/55/11/539215511.db2.gz WYNCFTRFGVWMFM-UHFFFAOYSA-N 1 0 261.369 2.363 10 0 CEAERO CC(C)(C)OC(=O)N[C@H]1CCSC2(CC([NH3+])C2)C1 ZINC000725271223 539215519 /nfs/dbraw/zinc/21/55/19/539215519.db2.gz ALPFJOLFSVCOFN-QUNCOHTASA-N 1 0 272.414 2.267 10 0 CEAERO CCc1cnc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2CC)o1 ZINC000300404891 539249929 /nfs/dbraw/zinc/24/99/29/539249929.db2.gz FOMMFQGMSHFTET-OLZOCXBDSA-N 1 0 263.385 2.296 10 0 CEAERO COc1cc(CN2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)sn1 ZINC000399076675 539263613 /nfs/dbraw/zinc/26/36/13/539263613.db2.gz VBONQKMMJDAPAH-NWDGAFQWSA-N 1 0 281.425 2.210 10 0 CEAERO C[C@@H]1CCN(c2ncnc3ccccc32)[C@H](C[NH3+])C1 ZINC000300084262 539268384 /nfs/dbraw/zinc/26/83/84/539268384.db2.gz DIEIJUIUJFPJHS-NEPJUHHUSA-N 1 0 256.353 2.193 10 0 CEAERO Cc1cc(Br)cnc1NCCC1(C[NH3+])CC1 ZINC000395906034 539293318 /nfs/dbraw/zinc/29/33/18/539293318.db2.gz LMTWYXBCJLNZNA-UHFFFAOYSA-N 1 0 284.201 2.115 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000092133744 290672604 /nfs/dbraw/zinc/67/26/04/290672604.db2.gz LDDABUWFTSEKBE-XNWIYYODSA-N 1 0 266.307 2.079 10 0 CEAERO C[NH+](C)C[C@@H](NC(=O)CCc1ccncc1)c1ccccc1 ZINC000044958144 362157120 /nfs/dbraw/zinc/15/71/20/362157120.db2.gz SCOUGXGOFURQAH-QGZVFWFLSA-N 1 0 297.402 2.433 10 0 CEAERO N[C@H](C[NH3+])c1cc(Br)cc(OC(F)(F)F)c1 ZINC000044473215 362153393 /nfs/dbraw/zinc/15/33/93/362153393.db2.gz KCLKLSPFHYGKTC-MRVPVSSYSA-N 1 0 299.090 2.306 10 0 CEAERO NC(=[NH2+])c1ccc2[nH]c(-c3ccc(O)cc3)nc2c1 ZINC000005974168 343355494 /nfs/dbraw/zinc/35/54/94/343355494.db2.gz VBQWXQOKPJTMJL-UHFFFAOYSA-N 1 0 252.277 2.220 10 0 CEAERO C[C@@H]([NH2+]C[C@@H]1CCCS1(=O)=O)c1ccccc1F ZINC000126687050 187256084 /nfs/dbraw/zinc/25/60/84/187256084.db2.gz CUUFCNNXMQZLFU-MNOVXSKESA-N 1 0 271.357 2.054 10 0 CEAERO Cc1ccc([C@H](C)[NH2+]CC2(O)CCSCC2)o1 ZINC000675892450 539306635 /nfs/dbraw/zinc/30/66/35/539306635.db2.gz AMFMBBLBXFWAKJ-NSHDSACASA-N 1 0 255.383 2.497 10 0 CEAERO COC[C@H]([NH2+][C@@H](C)[C@@H](CO)SC)c1ccccc1 ZINC000228306380 536877765 /nfs/dbraw/zinc/87/77/65/536877765.db2.gz HSRRKLJVSWMOIU-FPMFFAJLSA-N 1 0 269.410 2.076 10 0 CEAERO C[C@H](NC(=O)C1([NH3+])CCOCC1)c1ccccc1Cl ZINC000127870629 187338281 /nfs/dbraw/zinc/33/82/81/187338281.db2.gz SBPRUGCLVIHJEV-JTQLQIEISA-N 1 0 282.771 2.025 10 0 CEAERO C[C@H]([NH3+])Cc1ccc(N(C)C)c(Br)c1 ZINC000033825540 343418531 /nfs/dbraw/zinc/41/85/31/343418531.db2.gz LIIZKMKTZVALJX-QMMMGPOBSA-N 1 0 257.175 2.405 10 0 CEAERO CCOc1cc(C[NH2+][C@H]2CCC[C@@H](O)C2)ccc1OC ZINC000037163712 343426197 /nfs/dbraw/zinc/42/61/97/343426197.db2.gz YPUVZTMPIDHHME-UONOGXRCSA-N 1 0 279.380 2.487 10 0 CEAERO O=C(NCC[NH2+]C[C@@H](O)c1ccccc1)Nc1ccccc1 ZINC000040640915 343437904 /nfs/dbraw/zinc/43/79/04/343437904.db2.gz NDOIJOBFLZAZEY-MRXNPFEDSA-N 1 0 299.374 2.131 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1C(=O)CCc1c[nH]c2ccccc12 ZINC000044541433 343474390 /nfs/dbraw/zinc/47/43/90/343474390.db2.gz LLEFWOWKELBAOU-AWEZNQCLSA-N 1 0 285.391 2.440 10 0 CEAERO COc1cccc(C(=O)NCCCC[NH+]2CCCC2)c1 ZINC000044456076 343471960 /nfs/dbraw/zinc/47/19/60/343471960.db2.gz HDXJKCGCTHWWBV-UHFFFAOYSA-N 1 0 276.380 2.301 10 0 CEAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000295003960 199294656 /nfs/dbraw/zinc/29/46/56/199294656.db2.gz LPNXIPLTSROKRR-CJNGLKHVSA-N 1 0 271.364 2.218 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CSCC(F)(F)F ZINC000128027039 365772709 /nfs/dbraw/zinc/77/27/09/365772709.db2.gz NYIGAJOSOXVPTE-SNVBAGLBSA-N 1 0 298.374 2.225 10 0 CEAERO COc1ccc([C@@H](C)NC(=O)C[C@@H]2CCC[NH2+]C2)cc1F ZINC000054307262 343587369 /nfs/dbraw/zinc/58/73/69/343587369.db2.gz KPTYTWMCEDJVFU-NEPJUHHUSA-N 1 0 294.370 2.401 10 0 CEAERO CC[C@]1(C)COCC[N@@H+]1C[C@H](O)COCc1ccccc1 ZINC000336725404 365786345 /nfs/dbraw/zinc/78/63/45/365786345.db2.gz YMMGAGPBVQXIHZ-DLBZAZTESA-N 1 0 293.407 2.065 10 0 CEAERO O[C@]12CCCC[C@H]1C[N@H+](C[C@H]1CCCOC1)CC2 ZINC000336723453 365787145 /nfs/dbraw/zinc/78/71/45/365787145.db2.gz ZJDXQGGMQNLLFV-ILXRZTDVSA-N 1 0 253.386 2.040 10 0 CEAERO [NH3+]C[C@H](O)c1cc(Br)cc(Br)c1 ZINC000059700249 343653738 /nfs/dbraw/zinc/65/37/38/343653738.db2.gz HWMMDAQHEACODM-QMMMGPOBSA-N 1 0 294.974 2.204 10 0 CEAERO CN(Cc1cccc(F)c1)C(=O)c1c[nH+]ccc1N ZINC000126899719 187269088 /nfs/dbraw/zinc/26/90/88/187269088.db2.gz SOSUEVZTRUGFMX-UHFFFAOYSA-N 1 0 259.284 2.075 10 0 CEAERO COCCn1cc(C[N@@H+]2CCc3ccccc3C2)ccc1=O ZINC000065285869 343697337 /nfs/dbraw/zinc/69/73/37/343697337.db2.gz YKNOTIHRNFYUIE-UHFFFAOYSA-N 1 0 298.386 2.053 10 0 CEAERO C[C@@H](C(=O)N[C@@H]1CC[NH2+]C1)c1cc2ccccc2o1 ZINC000126925056 187271231 /nfs/dbraw/zinc/27/12/31/187271231.db2.gz BNEPGFGTDUNTIY-ZYHUDNBSSA-N 1 0 258.321 2.014 10 0 CEAERO CCOC(=O)c1cccc(NC(=O)[C@H]2C[C@@H](C)CC[NH2+]2)c1 ZINC000126972569 187273834 /nfs/dbraw/zinc/27/38/34/187273834.db2.gz KERKZXYEWOVCHW-SMDDNHRTSA-N 1 0 290.363 2.190 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1Cc1ccc(OC)c(O)c1 ZINC000083586830 178595092 /nfs/dbraw/zinc/59/50/92/178595092.db2.gz ZPXDUVWFMXGLTA-UONOGXRCSA-N 1 0 278.396 2.363 10 0 CEAERO CCCn1cc(C[NH+]2CCC(c3cc[nH]n3)CC2)cn1 ZINC000128188267 187356451 /nfs/dbraw/zinc/35/64/51/187356451.db2.gz LVKQHDDHPAXSRO-UHFFFAOYSA-N 1 0 273.384 2.396 10 0 CEAERO CN1CCO[C@@H](C[NH2+][C@H]2CCCC(C)(C)CC2)C1 ZINC000091667124 344169362 /nfs/dbraw/zinc/16/93/62/344169362.db2.gz ZHTJYRGJHRMLEH-KBPBESRZSA-N 1 0 254.418 2.266 10 0 CEAERO CC(C)(C)n1cc(C[N@@H+]2CCC[C@@H]2CCCO)cn1 ZINC000092785427 344203932 /nfs/dbraw/zinc/20/39/32/344203932.db2.gz NWYFGGLRJYDFRU-CQSZACIVSA-N 1 0 265.401 2.375 10 0 CEAERO COc1cc2c(cc1C[NH2+]C[C@@H]1CCC[C@@H]1O)O[C@H](C)C2 ZINC000097604814 344245971 /nfs/dbraw/zinc/24/59/71/344245971.db2.gz WLJQSDCFEJOEEE-XUJVJEKNSA-N 1 0 291.391 2.269 10 0 CEAERO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCc2ccccc2)cc1 ZINC000105908928 344257324 /nfs/dbraw/zinc/25/73/24/344257324.db2.gz IOVQTQKDTPGRNC-INIZCTEOSA-N 1 0 286.331 2.461 10 0 CEAERO CC(C)(C[NH3+])CCCS(=O)(=O)c1cccs1 ZINC000083643529 178652888 /nfs/dbraw/zinc/65/28/88/178652888.db2.gz PEAOPQLKRRNKOO-UHFFFAOYSA-N 1 0 261.412 2.287 10 0 CEAERO Cc1cccnc1CN(CCC[NH3+])Cc1ncccc1C ZINC000117972567 344290477 /nfs/dbraw/zinc/29/04/77/344290477.db2.gz XENIHYJCRAVDHB-UHFFFAOYSA-N 1 0 284.407 2.444 10 0 CEAERO COC(=O)c1cc2ccccc2cc1N1CC[NH2+]CC1 ZINC000118173524 344290912 /nfs/dbraw/zinc/29/09/12/344290912.db2.gz FZZKHDJYOOBWOI-UHFFFAOYSA-N 1 0 270.332 2.036 10 0 CEAERO CCCC(=O)Nc1cccc(CNC(=O)[C@H]([NH3+])CCC)c1 ZINC000153751140 344430271 /nfs/dbraw/zinc/43/02/71/344430271.db2.gz ZKCQDOMHRFSXGR-CQSZACIVSA-N 1 0 291.395 2.169 10 0 CEAERO C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCCc2ccccc21 ZINC000139250806 344392873 /nfs/dbraw/zinc/39/28/73/344392873.db2.gz YVJJOSMNCHTZEB-GDBMZVCRSA-N 1 0 287.407 2.457 10 0 CEAERO CC(C)[C@H]1CN(c2cnc3cc(F)ccc3n2)CC[NH2+]1 ZINC000141881347 344402059 /nfs/dbraw/zinc/40/20/59/344402059.db2.gz HSKYPRPHOVIFDN-CQSZACIVSA-N 1 0 274.343 2.203 10 0 CEAERO [NH3+][C@@H](Cn1cncn1)c1ccc(Cl)cc1Cl ZINC000146293243 344410204 /nfs/dbraw/zinc/41/02/04/344410204.db2.gz IHKXUUPBTZFRKU-JTQLQIEISA-N 1 0 257.124 2.285 10 0 CEAERO CCOC(=O)C(C)(C)Oc1ccc(CCC[NH3+])cc1 ZINC000150161759 344416585 /nfs/dbraw/zinc/41/65/85/344416585.db2.gz FNARVRBXTXSCJB-UHFFFAOYSA-N 1 0 265.353 2.298 10 0 CEAERO C[C@]1(C[NH2+]C[C@@H](O)COCc2ccco2)CCCS1 ZINC000155658690 344438941 /nfs/dbraw/zinc/43/89/41/344438941.db2.gz SWRRPIYZSBSEAT-TZMCWYRMSA-N 1 0 285.409 2.032 10 0 CEAERO [NH3+][C@H](C[C@H]1CCOC1)c1occc1Br ZINC000160851414 344462132 /nfs/dbraw/zinc/46/21/32/344462132.db2.gz OKCPMHABRJCCSV-VXNVDRBHSA-N 1 0 260.131 2.469 10 0 CEAERO Cc1cnc(OCC(C)(C)[NH3+])c(Br)c1 ZINC000163523791 344470513 /nfs/dbraw/zinc/47/05/13/344470513.db2.gz KLHZOZKFCDAHPF-UHFFFAOYSA-N 1 0 259.147 2.269 10 0 CEAERO c1cc2c(cc1N1CC[NH2+]CC1)CC[N@H+](C1CCC1)CC2 ZINC000165781742 344474993 /nfs/dbraw/zinc/47/49/93/344474993.db2.gz ROURIHRSAJSFEQ-UHFFFAOYSA-N 1 0 285.435 2.049 10 0 CEAERO O=C(c1occc1Br)[C@H]1CCC[NH2+]C1 ZINC000167722763 344479147 /nfs/dbraw/zinc/47/91/47/344479147.db2.gz NKIFVVOPQNRYQV-ZETCQYMHSA-N 1 0 258.115 2.224 10 0 CEAERO NC(=O)c1cc[nH]c1[C@@H]1CCC[N@@H+](C2CCSCC2)C1 ZINC000169789305 344482820 /nfs/dbraw/zinc/48/28/20/344482820.db2.gz UOSGTUFQLODYHL-LLVKDONJSA-N 1 0 293.436 2.189 10 0 CEAERO CSc1ccc(C)c(C(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000170868073 344491660 /nfs/dbraw/zinc/49/16/60/344491660.db2.gz ISRADXURIXEPGW-LBPRGKRZSA-N 1 0 278.421 2.493 10 0 CEAERO CCc1cc2c(ncnc2N2CC[C@@H]3C[NH2+]C[C@@H]32)s1 ZINC000209626819 344530636 /nfs/dbraw/zinc/53/06/36/344530636.db2.gz XCEOVADCVRCHNK-SKDRFNHKSA-N 1 0 274.393 2.052 10 0 CEAERO C[C@@H]1CC[C@H](NC(=O)C[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000226197133 344548630 /nfs/dbraw/zinc/54/86/30/344548630.db2.gz KDTWXTFSZGBDFJ-RFGFWPKPSA-N 1 0 252.402 2.317 10 0 CEAERO CN(C(=O)c1cc2ccccc2[nH]1)[C@@H]1CCC[NH2+]CC1 ZINC000226456483 344550161 /nfs/dbraw/zinc/55/01/61/344550161.db2.gz PRNMLXQSLGPVAG-CYBMUJFWSA-N 1 0 271.364 2.382 10 0 CEAERO CN(C(=O)c1c(F)cc(F)cc1F)[C@@H]1CCC[NH2+]CC1 ZINC000226456679 344550408 /nfs/dbraw/zinc/55/04/08/344550408.db2.gz VPRYJTGNNKADOS-SNVBAGLBSA-N 1 0 286.297 2.318 10 0 CEAERO Cc1ccc(-c2noc(C[N@@H+]3CC[C@H](CCO)C3)n2)cc1 ZINC000227566378 344553855 /nfs/dbraw/zinc/55/38/55/344553855.db2.gz HBJLZNBVUZTLEO-CYBMUJFWSA-N 1 0 287.363 2.249 10 0 CEAERO CCCCOC[C@H](O)C[NH2+]Cc1ccc(F)cc1F ZINC000227891812 344557666 /nfs/dbraw/zinc/55/76/66/344557666.db2.gz YMNDCCOZYDSWRC-CYBMUJFWSA-N 1 0 273.323 2.232 10 0 CEAERO [NH3+]C[C@@H](O)c1cc(Br)c(Cl)s1 ZINC000227972289 344558228 /nfs/dbraw/zinc/55/82/28/344558228.db2.gz ZITMQOUUYWSRQR-SCSAIBSYSA-N 1 0 256.552 2.156 10 0 CEAERO C[C@H](C[NH3+])Nc1ccc(F)cc1I ZINC000235467538 344591719 /nfs/dbraw/zinc/59/17/19/344591719.db2.gz ONEUAWBHYRMJHX-ZCFIWIBFSA-N 1 0 294.111 2.189 10 0 CEAERO CC(C)C[C@@H](CN(C)C)[NH2+]C[C@H](O)CC1CCCC1 ZINC000232130259 344576961 /nfs/dbraw/zinc/57/69/61/344576961.db2.gz TXBFKDYLLPIJQB-JKSUJKDBSA-N 1 0 270.461 2.494 10 0 CEAERO CC(C)([NH3+])[C@H](O)c1ccc(F)cc1Br ZINC000232519887 344577747 /nfs/dbraw/zinc/57/77/47/344577747.db2.gz RHUFFXPYDIMABH-SECBINFHSA-N 1 0 262.122 2.359 10 0 CEAERO Cc1ccc(C[NH2+]C[C@@H]2CN(C)CCO2)c(Cl)c1 ZINC000234322639 344583891 /nfs/dbraw/zinc/58/38/91/344583891.db2.gz DETJTQTUCMVVJF-CYBMUJFWSA-N 1 0 268.788 2.069 10 0 CEAERO CN(c1cnc2ccccc2n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000052017846 362460807 /nfs/dbraw/zinc/46/08/07/362460807.db2.gz VFMAEFHEEDEYRG-FUNVUKJBSA-N 1 0 268.364 2.349 10 0 CEAERO C[C@@](O)(C[N@@H+]1CCCSCC1)c1ccccc1 ZINC000052097137 362465107 /nfs/dbraw/zinc/46/51/07/362465107.db2.gz OVFIINKKSAJMSS-CQSZACIVSA-N 1 0 251.395 2.333 10 0 CEAERO Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H]2CCCO)c1 ZINC000052762134 362473573 /nfs/dbraw/zinc/47/35/73/362473573.db2.gz CCHVMEJSMCIROW-HNNXBMFYSA-N 1 0 276.380 2.170 10 0 CEAERO CC(C)(C)OC(=O)N1C[C@@H]([NH3+])C[C@H](C(F)(F)F)C1 ZINC000238124080 344605716 /nfs/dbraw/zinc/60/57/16/344605716.db2.gz MTUOZRYHCWOEFS-YUMQZZPRSA-N 1 0 268.279 2.133 10 0 CEAERO [NH3+][C@@H](CCO)c1cccc(Br)c1Cl ZINC000238561865 344606480 /nfs/dbraw/zinc/60/64/80/344606480.db2.gz VHUQVFBBIBCDER-QMMMGPOBSA-N 1 0 264.550 2.485 10 0 CEAERO [NH3+]Cc1cc(OC(F)(F)F)cc(Br)n1 ZINC000238675047 344607628 /nfs/dbraw/zinc/60/76/28/344607628.db2.gz RCXUDKMSHLLKSA-UHFFFAOYSA-N 1 0 271.036 2.201 10 0 CEAERO C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000262650184 344655375 /nfs/dbraw/zinc/65/53/75/344655375.db2.gz WQSWJKMXUGHIIT-NDBYEHHHSA-N 1 0 252.402 2.445 10 0 CEAERO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)N[C@H](C)C(C)(C)C ZINC000247256990 344619905 /nfs/dbraw/zinc/61/99/05/344619905.db2.gz AUBAHUATKVGMBL-CHWSQXEVSA-N 1 0 269.433 2.403 10 0 CEAERO C[C@@H](CC[N@@H+]1CCCNC(=O)[C@@H]1C)c1ccccc1 ZINC000248884387 344626352 /nfs/dbraw/zinc/62/63/52/344626352.db2.gz LQCHMSWTBXLYIM-KBPBESRZSA-N 1 0 260.381 2.391 10 0 CEAERO O[C@H]1CC[C@H]([NH2+]Cc2ccc(Br)nc2)CC1 ZINC000257354316 344647712 /nfs/dbraw/zinc/64/77/12/344647712.db2.gz XATSBINIUMALKW-XYPYZODXSA-N 1 0 285.185 2.237 10 0 CEAERO Cc1c(N)ncnc1N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000307024360 344719506 /nfs/dbraw/zinc/71/95/06/344719506.db2.gz IMOJNQLFCJVQFJ-CQSZACIVSA-N 1 0 283.379 2.054 10 0 CEAERO CC[N@@H+]1CCN(C(=O)OCc2ccccc2)C[C@H]1C ZINC000307104141 344720084 /nfs/dbraw/zinc/72/00/84/344720084.db2.gz CHCUKFZKFAMESQ-CYBMUJFWSA-N 1 0 262.353 2.349 10 0 CEAERO C[C@H]1C[NH2+]CC[C@H]1Nc1cnn(Cc2ccccc2)c1 ZINC000307362746 344722025 /nfs/dbraw/zinc/72/20/25/344722025.db2.gz JEVSSFRRNIDMQK-XJKSGUPXSA-N 1 0 270.380 2.341 10 0 CEAERO [NH3+][C@@H]1CSC[C@H]1Cc1coc(Br)c1 ZINC000307450810 344722758 /nfs/dbraw/zinc/72/27/58/344722758.db2.gz RUBWWSMPRJIYDB-HTQZYQBOSA-N 1 0 262.172 2.275 10 0 CEAERO Cc1ccnc(O[C@@H]2CCN(C)C2)c1Br ZINC000307670767 344723803 /nfs/dbraw/zinc/72/38/03/344723803.db2.gz VLTOKHZUCFDBOR-SECBINFHSA-N 1 0 271.158 2.235 10 0 CEAERO Cc1cc(C[NH2+][C@@H]2C[C@H]2CO)ccc1Br ZINC000309206173 344729015 /nfs/dbraw/zinc/72/90/15/344729015.db2.gz SCKXZUXEDLJNCU-CMPLNLGQSA-N 1 0 270.170 2.228 10 0 CEAERO COc1ccc(CCNc2c[nH+]ccc2N)cc1OC ZINC000313678893 344743146 /nfs/dbraw/zinc/74/31/46/344743146.db2.gz OSZVGSKZXQXZOT-UHFFFAOYSA-N 1 0 273.336 2.336 10 0 CEAERO CCS[C@@H]1CCC[C@@H]1NC(=O)C[C@H]([NH3+])C(C)C ZINC000300423712 344700147 /nfs/dbraw/zinc/70/01/47/344700147.db2.gz JWXCGZOWNQZPDG-SDDRHHMPSA-N 1 0 258.431 2.150 10 0 CEAERO Cc1c(I)cccc1N[C@H](C)C[NH3+] ZINC000300998387 344702112 /nfs/dbraw/zinc/70/21/12/344702112.db2.gz XAVQHXLRKQDRDM-SSDOTTSWSA-N 1 0 290.148 2.359 10 0 CEAERO Cc1sc([C@H](O)C2C[NH2+]C2)cc1Br ZINC000306394086 344713275 /nfs/dbraw/zinc/71/32/75/344713275.db2.gz LEMUTHDTHKCRGE-SECBINFHSA-N 1 0 262.172 2.072 10 0 CEAERO Cc1csc(C[NH2+]C[C@]2(O)CCC[C@@H](C)C2)n1 ZINC000083704877 178707317 /nfs/dbraw/zinc/70/73/17/178707317.db2.gz ALJDMRWZDZDZTL-MFKMUULPSA-N 1 0 254.399 2.482 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)Cc2ccc(Br)o2)C1 ZINC000306676036 344716196 /nfs/dbraw/zinc/71/61/96/344716196.db2.gz VCCVRZMVDOVDJH-HTQZYQBOSA-N 1 0 270.126 2.057 10 0 CEAERO C[C@@]1(C(=O)Cc2ccc(Br)o2)CCC[NH2+]1 ZINC000306673745 344716269 /nfs/dbraw/zinc/71/62/69/344716269.db2.gz OJHSXPNGDVQLJT-NSHDSACASA-N 1 0 272.142 2.296 10 0 CEAERO [NH3+][C@H]1C[C@@H]1c1c(Br)cncc1Br ZINC000306740283 344716911 /nfs/dbraw/zinc/71/69/11/344716911.db2.gz BUHKEUZHGOPCDE-FFWSUHOLSA-N 1 0 291.974 2.421 10 0 CEAERO COc1cc(NCC[NH2+]C2CC2)c([N+](=O)[O-])cc1C ZINC000389038594 344834822 /nfs/dbraw/zinc/83/48/22/344834822.db2.gz MJOFORXEKXGHOP-UHFFFAOYSA-N 1 0 265.313 2.076 10 0 CEAERO C[C@@H](CC(N)=[NH2+])N(C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000083757597 178742632 /nfs/dbraw/zinc/74/26/32/178742632.db2.gz BRJNYHMHNHAYNI-HXTFMFRQSA-N 1 0 292.427 2.311 10 0 CEAERO C[NH2+][C@@H](C)CNc1cc(Br)c(C#N)cc1F ZINC000380484948 344822904 /nfs/dbraw/zinc/82/29/04/344822904.db2.gz XWNNEXJUZBRLKM-ZETCQYMHSA-N 1 0 286.148 2.480 10 0 CEAERO C[C@H]1CC[C@H](Nc2c(F)cccc2[N+](=O)[O-])C[NH2+]1 ZINC000398964615 344856413 /nfs/dbraw/zinc/85/64/13/344856413.db2.gz PRSDTMQEMOLBQA-IUCAKERBSA-N 1 0 253.277 2.286 10 0 CEAERO Cc1ccc(C)c([C@H](C)[NH2+]C2CCN(CCO)CC2)c1 ZINC000399094463 344856904 /nfs/dbraw/zinc/85/69/04/344856904.db2.gz VCFFHVYMEFUTBJ-HNNXBMFYSA-N 1 0 276.424 2.411 10 0 CEAERO C[C@@H]1CC[C@H](Nc2ccc(C#N)cc2[N+](=O)[O-])C[NH2+]1 ZINC000399036383 344857148 /nfs/dbraw/zinc/85/71/48/344857148.db2.gz OLGOJICSWHOUML-KOLCDFICSA-N 1 0 260.297 2.019 10 0 CEAERO CCC[C@@H]([NH3+])C[S@](=O)c1ccc2c(c1)CCC2 ZINC000084030835 178773089 /nfs/dbraw/zinc/77/30/89/178773089.db2.gz ZGKJAIGGGWXKGX-CXAGYDPISA-N 1 0 251.395 2.410 10 0 CEAERO CCOc1ccc([C@@H](C)[NH3+])cc1C[S@@](=O)CC ZINC000084007701 178770731 /nfs/dbraw/zinc/77/07/31/178770731.db2.gz BHYHEJRDOYDOOM-BMLIUANNSA-N 1 0 255.383 2.374 10 0 CEAERO CCN1CC[C@H]2C[N@H+](Cc3ccccc3)CCN2C1=S ZINC000584640036 344971936 /nfs/dbraw/zinc/97/19/36/344971936.db2.gz GJWQKROOKLMKIR-HNNXBMFYSA-N 1 0 289.448 2.183 10 0 CEAERO C[C@@H](O)[C@]1(C)COC(C)(C)C[N@@H+]1Cc1ccccc1 ZINC000584645731 344972536 /nfs/dbraw/zinc/97/25/36/344972536.db2.gz CMORFXOTVLUKQA-CJNGLKHVSA-N 1 0 263.381 2.437 10 0 CEAERO C[C@@H](O)[C@@]1(C)COC(C)(C)C[N@@H+]1Cc1ccccc1 ZINC000584645732 344972629 /nfs/dbraw/zinc/97/26/29/344972629.db2.gz CMORFXOTVLUKQA-CZUORRHYSA-N 1 0 263.381 2.437 10 0 CEAERO C[C@H](CC1CC1)NC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000127316504 187296526 /nfs/dbraw/zinc/29/65/26/187296526.db2.gz YVDLPYVVZJLJKD-OUCADQQQSA-N 1 0 252.402 2.317 10 0 CEAERO CCCO[C@@H](COC)C[NH+]1CCN(c2ccccc2)CC1 ZINC000584652199 344973444 /nfs/dbraw/zinc/97/34/44/344973444.db2.gz ORFLVMDCVWLIDQ-QGZVFWFLSA-N 1 0 292.423 2.250 10 0 CEAERO CC[NH2+][C@@H](C)c1cccc(S[C@@H](C)C(=O)NC(N)=O)c1 ZINC000084125646 178798826 /nfs/dbraw/zinc/79/88/26/178798826.db2.gz AZVBYLZLNVSQQJ-UWVGGRQHSA-N 1 0 295.408 2.033 10 0 CEAERO OCCC[C@@H]1CCC[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000127348619 187298232 /nfs/dbraw/zinc/29/82/32/187298232.db2.gz HVYIIZXMWUAPLG-AWEZNQCLSA-N 1 0 259.353 2.300 10 0 CEAERO NC(=[NH2+])COc1ccc(Br)cc1Cl ZINC000054009813 362504591 /nfs/dbraw/zinc/50/45/91/362504591.db2.gz AGMSIASNYUNKCM-UHFFFAOYSA-N 1 0 263.522 2.417 10 0 CEAERO CCOc1ccc(OCC)c(NC(=O)[C@@H](C)[NH2+]C)c1 ZINC000054071570 362508485 /nfs/dbraw/zinc/50/84/85/362508485.db2.gz BSOPENQXSMKDOY-SNVBAGLBSA-N 1 0 266.341 2.030 10 0 CEAERO C[NH2+][C@H](C)C(=O)N(C)Cc1ccccc1Br ZINC000054074696 362509176 /nfs/dbraw/zinc/50/91/76/362509176.db2.gz GKHKXGAFWNTSLG-SECBINFHSA-N 1 0 285.185 2.015 10 0 CEAERO Brc1cc([C@@H]2CC[NH2+]2)cc2c1OCCO2 ZINC000084178836 178816619 /nfs/dbraw/zinc/81/66/19/178816619.db2.gz HZBOOKQMVSJXAF-VIFPVBQESA-N 1 0 270.126 2.255 10 0 CEAERO CC[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054291496 362522966 /nfs/dbraw/zinc/52/29/66/362522966.db2.gz NMPUEPFWYYXQJV-MJBXVCDLSA-N 1 0 252.402 2.461 10 0 CEAERO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054292001 362523135 /nfs/dbraw/zinc/52/31/35/362523135.db2.gz IHKDDKIAMMBPTP-RDBSUJKOSA-N 1 0 252.402 2.413 10 0 CEAERO CC[C@H](C)N(CCOC)C(=O)CC1([NH3+])CCCCC1 ZINC000084185211 178819551 /nfs/dbraw/zinc/81/95/51/178819551.db2.gz APMFDYVEMZWBTH-ZDUSSCGKSA-N 1 0 270.417 2.312 10 0 CEAERO [NH3+]C1(CC(=O)NC[C@@H]2C[C@H]3CC[C@@H]2C3)CCCC1 ZINC000084187026 178819918 /nfs/dbraw/zinc/81/99/18/178819918.db2.gz DPFNSDGHAYJZNW-XQQFMLRXSA-N 1 0 250.386 2.200 10 0 CEAERO Cc1nc2cc(NC(=O)C[C@H]3CCC[NH2+]C3)ccc2[nH]1 ZINC000054307348 362525523 /nfs/dbraw/zinc/52/55/23/362525523.db2.gz QBRIEWOGOFUOEN-LLVKDONJSA-N 1 0 272.352 2.200 10 0 CEAERO Cc1cc([C@H]2CCCN2C(=O)C[C@H]2CCC[NH2+]C2)on1 ZINC000054308142 362526541 /nfs/dbraw/zinc/52/65/41/362526541.db2.gz HBBDCCWJQCBXLZ-CHWSQXEVSA-N 1 0 277.368 2.036 10 0 CEAERO C[C@@H]([NH3+])c1ccc(S(=O)(=O)NC2(C)CCCC2)cc1 ZINC000084235369 178829811 /nfs/dbraw/zinc/82/98/11/178829811.db2.gz BXCBFYGMLNQPGZ-LLVKDONJSA-N 1 0 282.409 2.317 10 0 CEAERO [NH3+]C[C@@H]1CCCCC[C@H]1S(=O)(=O)c1cccs1 ZINC000084269096 178836131 /nfs/dbraw/zinc/83/61/31/178836131.db2.gz WLBXTJNKGJILBB-WDEREUQCSA-N 1 0 273.423 2.429 10 0 CEAERO COC[C@@H](C)C[C@H]([NH3+])c1ccc(OC)c(OC)c1 ZINC000097078033 185522165 /nfs/dbraw/zinc/52/21/65/185522165.db2.gz QSBWXPSDZXKAFZ-JQWIXIFHSA-N 1 0 253.342 2.376 10 0 CEAERO C[C@@H]1CCC[C@H](S(=O)(=O)[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000084272150 178838300 /nfs/dbraw/zinc/83/83/00/178838300.db2.gz UEUKNNMOEKBESE-YIYPIFLZSA-N 1 0 273.442 2.497 10 0 CEAERO [NH3+]C[C@H]1CCCCC[C@H]1S(=O)(=O)CC1CCCC1 ZINC000084272669 178839714 /nfs/dbraw/zinc/83/97/14/178839714.db2.gz FURLJJQDOVRXFS-ZIAGYGMSSA-N 1 0 273.442 2.499 10 0 CEAERO C[NH2+][C@H](c1ccc2c(c1)OCCO2)[C@@H]1CCSC1 ZINC000097077807 185521663 /nfs/dbraw/zinc/52/16/63/185521663.db2.gz KARAOVPBDZKVDV-BXUZGUMPSA-N 1 0 265.378 2.471 10 0 CEAERO CCN[C@](C)(C[C@@H](C)[N@H+](C)[C@@H](C)C(C)C)C(=O)OC ZINC000084309888 178853052 /nfs/dbraw/zinc/85/30/52/178853052.db2.gz NMZAQODLYJHUFT-VNHYZAJKSA-N 1 0 272.433 2.283 10 0 CEAERO CCC[NH2+][C@@](C)(C[C@@H](C)OC(C)(C)CC)C(N)=O ZINC000084367053 178874553 /nfs/dbraw/zinc/87/45/53/178874553.db2.gz SSQRJGVRCYMIOY-RISCZKNCSA-N 1 0 258.406 2.214 10 0 CEAERO OC[C@]1(Cc2ccc(C(F)(F)F)cc2)CC[NH2+]C1 ZINC000097154370 185549888 /nfs/dbraw/zinc/54/98/88/185549888.db2.gz ZVIGGNGAMZIYJD-LBPRGKRZSA-N 1 0 259.271 2.220 10 0 CEAERO CCC[NH2+][C@@H]1CC[C@H](Sc2nnc(C)n2C)C1 ZINC000084436086 178888120 /nfs/dbraw/zinc/88/81/20/178888120.db2.gz GQXQXGLVOHSIOC-MNOVXSKESA-N 1 0 254.403 2.136 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCCCCC2)C1 ZINC000057870588 362597782 /nfs/dbraw/zinc/59/77/82/362597782.db2.gz PEJBPIDMJXRFFT-CYBMUJFWSA-N 1 0 253.390 2.056 10 0 CEAERO C[NH2+][C@H](c1cccc(OC)c1OC)C1CCOCC1 ZINC000097180914 185556474 /nfs/dbraw/zinc/55/64/74/185556474.db2.gz KPOAEVDWYZQWJG-AWEZNQCLSA-N 1 0 265.353 2.391 10 0 CEAERO C[NH2+][C@@H](c1cccc(OC)c1OC)C1CCOCC1 ZINC000097180913 185556496 /nfs/dbraw/zinc/55/64/96/185556496.db2.gz KPOAEVDWYZQWJG-CQSZACIVSA-N 1 0 265.353 2.391 10 0 CEAERO C[NH2+][C@@H]1C[C@@H](C)C[C@@H](C)[C@@H]1Sc1n[nH]c(=O)n1C1CC1 ZINC000084474425 178894257 /nfs/dbraw/zinc/89/42/57/178894257.db2.gz ZESIIKUKRSPDHD-SPFNVWMYSA-N 1 0 296.440 2.021 10 0 CEAERO CC(C)([NH3+])[C@H](O)c1cc(Cl)c2c(c1)OCCCO2 ZINC000097209520 185564630 /nfs/dbraw/zinc/56/46/30/185564630.db2.gz GBCBPAAGXUFFPV-GFCCVEGCSA-N 1 0 271.744 2.272 10 0 CEAERO CC[NH2+][C@H](CCCS(=O)(=O)CC)CCc1ccncc1 ZINC000097217944 185566929 /nfs/dbraw/zinc/56/69/29/185566929.db2.gz DPYVNUVPINMHJJ-OAHLLOKOSA-N 1 0 298.452 2.207 10 0 CEAERO CCC1CCC([C@@H]([NH3+])C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000097226316 185567988 /nfs/dbraw/zinc/56/79/88/185567988.db2.gz YFXSRQKKTKYAMV-HHTDUIENSA-N 1 0 273.442 2.355 10 0 CEAERO [NH3+]CC1CCN(c2cc(C(F)(F)F)ccn2)CC1 ZINC000060048946 362655960 /nfs/dbraw/zinc/65/59/60/362655960.db2.gz HCZXJGWHGXGUQR-UHFFFAOYSA-N 1 0 259.275 2.276 10 0 CEAERO Cc1cc(C[C@H]([NH3+])[C@@H]2CSc3ccccc32)n(C)n1 ZINC000097273364 185575715 /nfs/dbraw/zinc/57/57/15/185575715.db2.gz MIFWKLJXWHEHCA-KGLIPLIRSA-N 1 0 273.405 2.488 10 0 CEAERO CCC[NH2+][C@H](Cc1cc(C)nn1C)c1cc(C)nn1C ZINC000097273461 185576076 /nfs/dbraw/zinc/57/60/76/185576076.db2.gz BORUNGGEHBMZPG-CQSZACIVSA-N 1 0 275.400 2.054 10 0 CEAERO CCn1nc(C)c(Cl)c1C[C@H]([NH3+])c1c(C)nn(C)c1C ZINC000097276544 185576675 /nfs/dbraw/zinc/57/66/75/185576675.db2.gz BTYGAWKEMQZLDB-NSHDSACASA-N 1 0 295.818 2.458 10 0 CEAERO CCn1nc(C[C@H]([NH3+])c2csnn2)c2ccccc21 ZINC000097277194 185576687 /nfs/dbraw/zinc/57/66/87/185576687.db2.gz VQCPXCXMOHIVSE-JTQLQIEISA-N 1 0 273.365 2.150 10 0 CEAERO CCn1nc(C)c(Cl)c1C[C@H]([NH3+])[C@@H]1CCSC1 ZINC000097276622 185576724 /nfs/dbraw/zinc/57/67/24/185576724.db2.gz UPPFKYFGPJKVQY-ZJUUUORDSA-N 1 0 273.833 2.488 10 0 CEAERO CCn1ncnc1C[C@H]([NH2+]C)c1cccc2ncccc21 ZINC000097280540 185578749 /nfs/dbraw/zinc/57/87/49/185578749.db2.gz WZRKCOVVPLNHCG-HNNXBMFYSA-N 1 0 281.363 2.349 10 0 CEAERO CCO[C@@H](C)c1noc([C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])n1 ZINC000084797579 178926634 /nfs/dbraw/zinc/92/66/34/178926634.db2.gz IFYHXVSVFNTGRB-HWUMTFDVSA-N 1 0 251.330 2.008 10 0 CEAERO C[NH2+][C@@H](Cc1nc2ccccc2n1C)c1cc(C)nn1C ZINC000097303479 185581583 /nfs/dbraw/zinc/58/15/83/185581583.db2.gz LOITYGKEPWJWNE-ZDUSSCGKSA-N 1 0 283.379 2.118 10 0 CEAERO Cc1nn(C)c(C)c1CC[C@H]([NH3+])[C@H]1CCc2cccnc21 ZINC000097305630 185582152 /nfs/dbraw/zinc/58/21/52/185582152.db2.gz RZTQSNFJRUNSIZ-CVEARBPZSA-N 1 0 284.407 2.422 10 0 CEAERO C[NH2+][C@@H](CCSC)[C@@H]1CCOC2(CCOCC2)C1 ZINC000097310981 185583662 /nfs/dbraw/zinc/58/36/62/185583662.db2.gz MTPRRRZLSQATMH-OLZOCXBDSA-N 1 0 273.442 2.303 10 0 CEAERO O[C@H](C[NH2+]C1CC1)Cc1cc(Br)ccc1F ZINC000084994174 178941493 /nfs/dbraw/zinc/94/14/93/178941493.db2.gz DVYXGIMMJDGUGP-NSHDSACASA-N 1 0 288.160 2.244 10 0 CEAERO CCOc1ccc([C@@H](CC(=O)OC)[C@H]([NH3+])CC)cc1 ZINC000097431913 185602562 /nfs/dbraw/zinc/60/25/62/185602562.db2.gz BOKXDKQUAMBHRE-ZIAGYGMSSA-N 1 0 265.353 2.469 10 0 CEAERO COC(=O)C[C@@](C)(c1cc(C)oc1C)C(C)(C)[NH3+] ZINC000097433813 185602859 /nfs/dbraw/zinc/60/28/59/185602859.db2.gz RPFWQPDMPMDPAZ-AWEZNQCLSA-N 1 0 253.342 2.455 10 0 CEAERO CC[C@H]([NH3+])[C@@](C)(CCO)c1cc(C)ccc1OC ZINC000097435236 185603354 /nfs/dbraw/zinc/60/33/54/185603354.db2.gz PKNDAPKJEWRTFM-GJZGRUSLSA-N 1 0 251.370 2.381 10 0 CEAERO C[C@@](C[NH3+])(CCO)c1ccc(Br)s1 ZINC000085118576 178951435 /nfs/dbraw/zinc/95/14/35/178951435.db2.gz NAPNFAHSVIXMEG-VIFPVBQESA-N 1 0 264.188 2.109 10 0 CEAERO CCNC(=O)[C@@H](C)[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000085128500 178952847 /nfs/dbraw/zinc/95/28/47/178952847.db2.gz OBPNPYWAZXMHDD-UTLUCORTSA-N 1 0 266.307 2.222 10 0 CEAERO CC(C)(C)OC[C@H]([NH3+])c1cnnn1-c1ccccc1 ZINC000097423553 185600829 /nfs/dbraw/zinc/60/08/29/185600829.db2.gz QAFQSUSZCVRIHJ-LBPRGKRZSA-N 1 0 260.341 2.082 10 0 CEAERO COC(=O)C[C@H](c1ccc(OC)c(Cl)c1)[C@@H](C)[NH3+] ZINC000097430973 185601709 /nfs/dbraw/zinc/60/17/09/185601709.db2.gz BOZMKFIPMOYDNB-SCZZXKLOSA-N 1 0 271.744 2.343 10 0 CEAERO CC[C@H]([NH3+])[C@@H](CC(=O)OC)c1ccc(F)c(F)c1 ZINC000097431970 185602063 /nfs/dbraw/zinc/60/20/63/185602063.db2.gz HJRDAAIQDDSCGQ-CABZTGNLSA-N 1 0 257.280 2.349 10 0 CEAERO CC[C@H]([NH3+])[C@@H](SC[C@@H](C)CO)c1ccccn1 ZINC000097459365 185609197 /nfs/dbraw/zinc/60/91/97/185609197.db2.gz UCYASIPQPKVZNM-GMXVVIOVSA-N 1 0 254.399 2.222 10 0 CEAERO Cc1cnc(-c2noc(C3CCC(C[NH3+])CC3)n2)nc1 ZINC000097468856 185611388 /nfs/dbraw/zinc/61/13/88/185611388.db2.gz HMHXPGMKPVGPTB-UHFFFAOYSA-N 1 0 273.340 2.068 10 0 CEAERO Nc1ccccc1N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000094680840 136514020 /nfs/dbraw/zinc/51/40/20/136514020.db2.gz PXHXSVINRUUJTL-UHFFFAOYSA-N 1 0 283.375 2.297 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCCc2ccccc21 ZINC000094646932 136514030 /nfs/dbraw/zinc/51/40/30/136514030.db2.gz QITQYFZBXLPBOZ-JSGCOSHPSA-N 1 0 258.365 2.354 10 0 CEAERO COc1ccc(F)c(N2C[C@H](C3CC3)[NH2+]C[C@@H]2C)c1 ZINC000094856970 136514757 /nfs/dbraw/zinc/51/47/57/136514757.db2.gz DKMOFRLDBDPZNZ-IINYFYTJSA-N 1 0 264.344 2.411 10 0 CEAERO CC(C)[NH2+][C@@H](CO)CCOc1ccc(F)cc1F ZINC000085283066 179000638 /nfs/dbraw/zinc/00/06/38/179000638.db2.gz USTBZLMSQVHAHV-LLVKDONJSA-N 1 0 259.296 2.093 10 0 CEAERO CC(C)(C)c1ccccc1OCC[C@](C)([NH3+])CO ZINC000085283285 179000799 /nfs/dbraw/zinc/00/07/99/179000799.db2.gz UFDGVFNIQBWNHJ-HNNXBMFYSA-N 1 0 251.370 2.463 10 0 CEAERO Cc1ccc(OC[C@@](C)(CO)[NH2+]C(C)C)c(C)c1 ZINC000085283450 179001515 /nfs/dbraw/zinc/00/15/15/179001515.db2.gz PLBXEQWZUUYIRR-OAHLLOKOSA-N 1 0 251.370 2.431 10 0 CEAERO CCOc1ccc(O[C@@H](C)C[C@](C)(CO)[NH2+]C)cc1 ZINC000085283347 179001668 /nfs/dbraw/zinc/00/16/68/179001668.db2.gz PBEAAZZWHWMEHQ-SWLSCSKDSA-N 1 0 267.369 2.213 10 0 CEAERO CCC[NH2+][C@](C)(CO)COc1cccc(C)c1C ZINC000085283926 179001738 /nfs/dbraw/zinc/00/17/38/179001738.db2.gz FLOHZXFAFMLOBS-OAHLLOKOSA-N 1 0 251.370 2.433 10 0 CEAERO CC[NH2+][C@](C)(CO)C[C@H](C)Oc1ccccc1F ZINC000085284413 179002381 /nfs/dbraw/zinc/00/23/81/179002381.db2.gz UNLXEBVTXYNOIG-FZMZJTMJSA-N 1 0 255.333 2.344 10 0 CEAERO CC[NH2+][C@](C)(CO)CCCCn1cc(Cl)cn1 ZINC000085263874 178993713 /nfs/dbraw/zinc/99/37/13/178993713.db2.gz JUGKFTHBQKFNHU-LBPRGKRZSA-N 1 0 259.781 2.067 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)COc1cc(F)cc(F)c1 ZINC000085265177 178995249 /nfs/dbraw/zinc/99/52/49/178995249.db2.gz QCRMTSGSCUZQNA-ZDUSSCGKSA-N 1 0 259.296 2.093 10 0 CEAERO CC[NH2+][C@](C)(CO)CCOc1cc(F)cc(F)c1 ZINC000085265212 178995474 /nfs/dbraw/zinc/99/54/74/178995474.db2.gz FTWHOJPIKZZMAH-ZDUSSCGKSA-N 1 0 259.296 2.094 10 0 CEAERO C[NH2+][C@](C)(CO)COc1cc(C(C)C)ccc1C ZINC000085266482 178996888 /nfs/dbraw/zinc/99/68/88/178996888.db2.gz YKTXBYHRTGFSRP-OAHLLOKOSA-N 1 0 251.370 2.468 10 0 CEAERO CCC[NH2+][C@](C)(CO)CCCOC[C@H]1CCCCO1 ZINC000085269936 178998543 /nfs/dbraw/zinc/99/85/43/178998543.db2.gz YVJDNTVLOKOQFV-CABCVRRESA-N 1 0 273.417 2.103 10 0 CEAERO CCc1ccccc1O[C@@H](C)C[C@@](C)(CO)[NH2+]C ZINC000085286397 179003992 /nfs/dbraw/zinc/00/39/92/179003992.db2.gz FKGPGBKUDTXVSO-WFASDCNBSA-N 1 0 251.370 2.377 10 0 CEAERO CCc1ccccc1O[C@H](C)C[C@](C)(CO)[NH2+]C ZINC000085286403 179004230 /nfs/dbraw/zinc/00/42/30/179004230.db2.gz FKGPGBKUDTXVSO-IUODEOHRSA-N 1 0 251.370 2.377 10 0 CEAERO CC[NH2+][C@@](C)(CO)C[C@H](C)Sc1nccc(C)n1 ZINC000085287893 179005154 /nfs/dbraw/zinc/00/51/54/179005154.db2.gz YNCKYFGZVHINKK-WCQYABFASA-N 1 0 269.414 2.016 10 0 CEAERO Cc1ccc2[nH]c(SCCC[C@@](C)([NH3+])CO)nc2c1 ZINC000085288329 179005241 /nfs/dbraw/zinc/00/52/41/179005241.db2.gz MBXRUWIWFFMOLL-CQSZACIVSA-N 1 0 279.409 2.453 10 0 CEAERO COc1ccc(SCC[C@@H](CO)[NH2+]C2CC2)cc1 ZINC000085291934 179007244 /nfs/dbraw/zinc/00/72/44/179007244.db2.gz CARRPODULTUDBD-LBPRGKRZSA-N 1 0 267.394 2.290 10 0 CEAERO CC[NH2+][C@H](CO)CCSc1ccc(OC)cc1 ZINC000085291832 179007445 /nfs/dbraw/zinc/00/74/45/179007445.db2.gz OYXDCYBSZILIQX-NSHDSACASA-N 1 0 255.383 2.148 10 0 CEAERO CC[NH2+][C@](C)(CO)CCSc1nc2ccccc2[nH]1 ZINC000085291725 179007455 /nfs/dbraw/zinc/00/74/55/179007455.db2.gz HIDDIKUANWPKFE-AWEZNQCLSA-N 1 0 279.409 2.406 10 0 CEAERO C[NH2+][C@@](CO)(CSc1nnc(C)s1)c1ccccc1 ZINC000085297085 179008276 /nfs/dbraw/zinc/00/82/76/179008276.db2.gz VBISQZSEDPZERY-ZDUSSCGKSA-N 1 0 295.433 2.046 10 0 CEAERO C[NH2+][C@@](C)(CO)CCSc1ncnc2ccccc21 ZINC000085297233 179008306 /nfs/dbraw/zinc/00/83/06/179008306.db2.gz NWRVCFKSOLVJAM-CQSZACIVSA-N 1 0 277.393 2.082 10 0 CEAERO C[C@@]([NH3+])(CO)CCSc1ccc2c(c1)CCC2 ZINC000085292940 179008488 /nfs/dbraw/zinc/00/84/88/179008488.db2.gz FGMBDPKIAKHEKH-AWEZNQCLSA-N 1 0 251.395 2.367 10 0 CEAERO C[NH2+][C@](C)(CO)CCSc1cc(F)ccc1F ZINC000085293096 179008657 /nfs/dbraw/zinc/00/86/57/179008657.db2.gz UNRYBUBLMFMSFP-LBPRGKRZSA-N 1 0 261.337 2.417 10 0 CEAERO CCC[NH2+][C@](C)(CO)CCOc1ccc(F)cc1 ZINC000085285082 179002942 /nfs/dbraw/zinc/00/29/42/179002942.db2.gz BPEVHBKDCXAXDU-AWEZNQCLSA-N 1 0 255.333 2.345 10 0 CEAERO CCN(CCC[C@](C)(O)C[NH3+])c1ccccc1F ZINC000085303405 179011168 /nfs/dbraw/zinc/01/11/68/179011168.db2.gz TXRGIAVMYOROIQ-AWEZNQCLSA-N 1 0 254.349 2.142 10 0 CEAERO Cc1ccc(N(C)CCCC[C@@](C)(O)C[NH3+])cc1 ZINC000085303381 179011438 /nfs/dbraw/zinc/01/14/38/179011438.db2.gz VVDRECKNEJTGLZ-OAHLLOKOSA-N 1 0 250.386 2.311 10 0 CEAERO Cc1nn(CCCC[C@](C)(O)C[NH3+])c(C)c1Cl ZINC000085304400 179011543 /nfs/dbraw/zinc/01/15/43/179011543.db2.gz NTNZFRFMTPWCPU-LBPRGKRZSA-N 1 0 259.781 2.033 10 0 CEAERO Cc1ccc(C)c(OCCC[C@](C)(O)C[NH3+])c1C ZINC000085307430 179012753 /nfs/dbraw/zinc/01/27/53/179012753.db2.gz ZDKPFNVRTWJJQY-HNNXBMFYSA-N 1 0 251.370 2.481 10 0 CEAERO COc1cccc(S[C@@H](C)C[C@](C)(O)C[NH3+])c1 ZINC000085308352 179013217 /nfs/dbraw/zinc/01/32/17/179013217.db2.gz JCSBDPDHRYFGDT-GWCFXTLKSA-N 1 0 255.383 2.276 10 0 CEAERO Cc1ccc2[nH]c(S[C@@H](C)C[C@](C)(O)C[NH3+])nc2c1 ZINC000085307946 179013307 /nfs/dbraw/zinc/01/33/07/179013307.db2.gz YIAKWNFTSQJLTA-HZMBPMFUSA-N 1 0 279.409 2.452 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)OCCc1cccs1 ZINC000085331219 179020823 /nfs/dbraw/zinc/02/08/23/179020823.db2.gz DOZFARXXDGPHAK-NWDGAFQWSA-N 1 0 253.367 2.351 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000085356219 179030376 /nfs/dbraw/zinc/03/03/76/179030376.db2.gz JGWFABGWFDTBPG-BDAKNGLRSA-N 1 0 284.262 2.074 10 0 CEAERO CN(Cc1cccs1)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085358531 179031289 /nfs/dbraw/zinc/03/12/89/179031289.db2.gz ULBDYOBWXJYIBR-RYUDHWBXSA-N 1 0 252.383 2.224 10 0 CEAERO CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])C2 ZINC000085360896 179032882 /nfs/dbraw/zinc/03/28/82/179032882.db2.gz UDKMPZFTRHDPBI-VBTGVMJWSA-N 1 0 264.413 2.445 10 0 CEAERO CCOC(=O)Nc1ccc(NC(=O)[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000085362115 179033352 /nfs/dbraw/zinc/03/33/52/179033352.db2.gz YFKRQUIZVPKZKQ-QWHCGFSZSA-N 1 0 291.351 2.321 10 0 CEAERO Cc1nc2cc(NC(=O)[C@@H]3CCCC[C@@H]3[NH3+])ccc2[nH]1 ZINC000085363950 179035143 /nfs/dbraw/zinc/03/51/43/179035143.db2.gz QINMMGMGRFVWFI-NEPJUHHUSA-N 1 0 272.352 2.327 10 0 CEAERO CC(C)[C@H]([NH3+])c1ncc(I)s1 ZINC000085351979 179029822 /nfs/dbraw/zinc/02/98/22/179029822.db2.gz OHGNITADTHLUJJ-LURJTMIESA-N 1 0 282.150 2.404 10 0 CEAERO CCOc1cc(C)ccc1NC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085365907 179036736 /nfs/dbraw/zinc/03/67/36/179036736.db2.gz PTBQVDJHTDNERP-RYUDHWBXSA-N 1 0 262.353 2.460 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)N(Cc1ccco1)CC(F)(F)F ZINC000085366990 179037168 /nfs/dbraw/zinc/03/71/68/179037168.db2.gz CGYOJYKRADJMHH-MNOVXSKESA-N 1 0 290.285 2.298 10 0 CEAERO Cc1ccc(OCCN(C)C(=O)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000085367374 179037596 /nfs/dbraw/zinc/03/75/96/179037596.db2.gz YWZLZEKCVQROFS-HZPDHXFCSA-N 1 0 290.407 2.350 10 0 CEAERO CN(C(=O)[C@H]1CCC[C@H]1[NH3+])C1C2CC3CC(C2)CC1C3 ZINC000085368273 179038065 /nfs/dbraw/zinc/03/80/65/179038065.db2.gz LGGHHVRKBKDZFY-KWKJMZLKSA-N 1 0 276.424 2.397 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)N(Cc1cccs1)C1CC1 ZINC000085368030 179038247 /nfs/dbraw/zinc/03/82/47/179038247.db2.gz RNTZNAIQTNTZFN-OLZOCXBDSA-N 1 0 264.394 2.367 10 0 CEAERO CCN(Cc1ccc(OC)cc1)C(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085368737 179038715 /nfs/dbraw/zinc/03/87/15/179038715.db2.gz FHDQDIKWIIQPAZ-LSDHHAIUSA-N 1 0 276.380 2.171 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)NCCc1ccc(OC(F)F)cc1 ZINC000085371300 179041107 /nfs/dbraw/zinc/04/11/07/179041107.db2.gz KTBUSAHNYAZSET-STQMWFEESA-N 1 0 298.333 2.074 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)NCc1ccc(F)cc1F ZINC000085373844 179042888 /nfs/dbraw/zinc/04/28/88/179042888.db2.gz VVLJJDQXVYGIFT-DGCLKSJQSA-N 1 0 268.307 2.099 10 0 CEAERO C[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085374695 179043361 /nfs/dbraw/zinc/04/33/61/179043361.db2.gz RGVDFXDKACYNHR-DFBGVHRSSA-N 1 0 278.371 2.390 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)NCc1cc(F)ccc1F ZINC000085375633 179043834 /nfs/dbraw/zinc/04/38/34/179043834.db2.gz SEPDBRILVABYKZ-DGCLKSJQSA-N 1 0 268.307 2.099 10 0 CEAERO CCOc1cc(C)ccc1NC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085365909 179036394 /nfs/dbraw/zinc/03/63/94/179036394.db2.gz PTBQVDJHTDNERP-VXGBXAGGSA-N 1 0 262.353 2.460 10 0 CEAERO CC(C)[N@@H+]1CCO[C@@H](CN2CCCNc3ccccc32)C1 ZINC000085403470 179053013 /nfs/dbraw/zinc/05/30/13/179053013.db2.gz GSMLTTFKKPXKFG-OAHLLOKOSA-N 1 0 289.423 2.418 10 0 CEAERO Cc1cccc(N(CCC[NH3+])S(=O)(=O)C2CCCC2)c1 ZINC000097834573 185672568 /nfs/dbraw/zinc/67/25/68/185672568.db2.gz PKGYCJVHIJCJGE-UHFFFAOYSA-N 1 0 296.436 2.423 10 0 CEAERO CC[NH2+][C@@H](Cc1cc(F)ccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000097854147 185673637 /nfs/dbraw/zinc/67/36/37/185673637.db2.gz RPRPLTZZGFLLQE-WFASDCNBSA-N 1 0 299.411 2.089 10 0 CEAERO CC(C)[C@@H]1CN(CCCOc2ccccc2)CC[NH2+]1 ZINC000085434795 179061366 /nfs/dbraw/zinc/06/13/66/179061366.db2.gz TUOCXUIVEGWLEK-INIZCTEOSA-N 1 0 262.397 2.385 10 0 CEAERO C[C@@H](Nc1ncncc1Br)[C@H]1CCC[NH2+]C1 ZINC000085466519 179071554 /nfs/dbraw/zinc/07/15/54/179071554.db2.gz IVGGCOQWEOLSOG-BDAKNGLRSA-N 1 0 285.189 2.039 10 0 CEAERO CC[C@]1(C)C[NH2+][C@H](C(C)C)CN1C[C@@H]1CCCO1 ZINC000085467887 179073641 /nfs/dbraw/zinc/07/36/41/179073641.db2.gz NHMPYYLJXSXNRW-SOUVJXGZSA-N 1 0 254.418 2.264 10 0 CEAERO CCC[C@@H]1C[NH2+]C(C)(C)CN1Cc1cnn(CC)c1 ZINC000085469631 179074845 /nfs/dbraw/zinc/07/48/45/179074845.db2.gz VDBNEYLCWAQUSQ-CQSZACIVSA-N 1 0 264.417 2.256 10 0 CEAERO C[C@@H]1C[N@H+](CCCOCC(F)(F)F)[C@H](C2CC2)CN1 ZINC000085453744 179066794 /nfs/dbraw/zinc/06/67/94/179066794.db2.gz YBMCEJDXEPAEEY-PWSUYJOCSA-N 1 0 280.334 2.028 10 0 CEAERO CCC1(CC)CN[C@H](C)C[N@@H+]1CCCn1ccnc1 ZINC000085454280 179067299 /nfs/dbraw/zinc/06/72/99/179067299.db2.gz MROSUZKRZQZOPL-CQSZACIVSA-N 1 0 264.417 2.126 10 0 CEAERO C[C@@H]1CN(CCc2cccs2)[C@H](C2CC2)C[NH2+]1 ZINC000085453680 179067305 /nfs/dbraw/zinc/06/73/05/179067305.db2.gz SZEXAIGAHZFCEK-RISCZKNCSA-N 1 0 250.411 2.363 10 0 CEAERO CCC[C@H]1CN(CC(F)(F)F)[C@H](C2CC2)C[NH2+]1 ZINC000085455333 179068149 /nfs/dbraw/zinc/06/81/49/179068149.db2.gz BVDKFZPBLDZSGY-QWRGUYRKSA-N 1 0 250.308 2.401 10 0 CEAERO CCC[C@@H]1CN[C@@H](CC)C[N@@H+]1CC1CCOCC1 ZINC000085472798 179077015 /nfs/dbraw/zinc/07/70/15/179077015.db2.gz KFJHHBCFWBSHPW-LSDHHAIUSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@@H]1CN(Cc2cccc(OC)n2)[C@@H](CC)C[NH2+]1 ZINC000085472280 179077048 /nfs/dbraw/zinc/07/70/48/179077048.db2.gz MJPFBBBNGQDEGL-OCCSQVGLSA-N 1 0 263.385 2.053 10 0 CEAERO CCC[C@@H]1CN[C@H](CC)C[N@@H+]1CC1CCOCC1 ZINC000085472794 179077171 /nfs/dbraw/zinc/07/71/71/179077171.db2.gz KFJHHBCFWBSHPW-HUUCEWRRSA-N 1 0 254.418 2.266 10 0 CEAERO CCC[C@H]1C[NH2+][C@@H](CC)CN1C[C@@H]1CCCCO1 ZINC000085472709 179077250 /nfs/dbraw/zinc/07/72/50/179077250.db2.gz JOSAPIMPZSEQEO-KKUMJFAQSA-N 1 0 254.418 2.408 10 0 CEAERO CCC[C@@H]1CN[C@H](CC)C[N@@H+]1CCCn1ccnc1 ZINC000085472540 179077352 /nfs/dbraw/zinc/07/73/52/179077352.db2.gz IJORBALVNYMIQS-HUUCEWRRSA-N 1 0 264.417 2.126 10 0 CEAERO CC[C@@H]1C[N@H+]([C@@H]2CCC[C@H](OC)C2)C(C)(C)CN1 ZINC000085474281 179077818 /nfs/dbraw/zinc/07/78/18/179077818.db2.gz AUDQRAZZLTYPCS-MCIONIFRSA-N 1 0 254.418 2.406 10 0 CEAERO CC[C@@H]1CN(C[C@@H]2CCCCO2)[C@@](C)(CC)C[NH2+]1 ZINC000085474505 179078743 /nfs/dbraw/zinc/07/87/43/179078743.db2.gz OMXHXLCGFPAZLR-ILXRZTDVSA-N 1 0 254.418 2.408 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C(C)(C)C)CN1Cc1cnn(C)c1 ZINC000085475606 179079133 /nfs/dbraw/zinc/07/91/33/179079133.db2.gz AGDKFLQDGQYEPJ-KBPBESRZSA-N 1 0 264.417 2.019 10 0 CEAERO CCC(CC)N(CC[NH3+])c1ncncc1Br ZINC000085480737 179080333 /nfs/dbraw/zinc/08/03/33/179080333.db2.gz BSYFSLIISOTITJ-UHFFFAOYSA-N 1 0 287.205 2.193 10 0 CEAERO CC[C@H](C)[C@@H]1CN(Cc2cnn(C)c2)[C@@H](CC)C[NH2+]1 ZINC000085490952 179081558 /nfs/dbraw/zinc/08/15/58/179081558.db2.gz YOOADHADCGXFCO-QEJZJMRPSA-N 1 0 264.417 2.019 10 0 CEAERO CC(C)C[C@H]1C[NH2+]C(C)(C)CN1Cc1ncccn1 ZINC000085470426 179075350 /nfs/dbraw/zinc/07/53/50/179075350.db2.gz QXVIERYRKCFVOV-ZDUSSCGKSA-N 1 0 262.401 2.075 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](c2ccccc2)CN1Cc1ncccn1 ZINC000085505230 179084947 /nfs/dbraw/zinc/08/49/47/179084947.db2.gz XNIYCOAWKJYXFR-CVEARBPZSA-N 1 0 282.391 2.402 10 0 CEAERO CC[C@H]1C[NH2+][C@@](C)(C2CC2)CN1CCOC(C)C ZINC000085509893 179085927 /nfs/dbraw/zinc/08/59/27/179085927.db2.gz HCNBFPVAXRRWQC-LSDHHAIUSA-N 1 0 254.418 2.264 10 0 CEAERO CC(C)[C@@H]1CN[C@@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085512481 179086445 /nfs/dbraw/zinc/08/64/45/179086445.db2.gz FGFAOSHAAMAXJD-CWRNSKLLSA-N 1 0 266.429 2.121 10 0 CEAERO CCC[C@@H]1C[NH2+][C@H](C2CC2)CN1C[C@@H]1CCCO1 ZINC000085523453 179088643 /nfs/dbraw/zinc/08/86/43/179088643.db2.gz YVMFNXKQSVNPLF-ILXRZTDVSA-N 1 0 252.402 2.018 10 0 CEAERO COCCC[N@@H+]1C[C@](C)(C2CC2)NC[C@@]1(C)C1CC1 ZINC000085516092 179087273 /nfs/dbraw/zinc/08/72/73/179087273.db2.gz WTYXYDOPEOFJBF-CVEARBPZSA-N 1 0 266.429 2.266 10 0 CEAERO CCC1(CC)CN(Cc2ncccn2)[C@H](C(C)C)C[NH2+]1 ZINC000085518049 179087285 /nfs/dbraw/zinc/08/72/85/179087285.db2.gz PNGQSPVNLHYPJH-AWEZNQCLSA-N 1 0 276.428 2.465 10 0 CEAERO CCC1(CC)CN(Cc2ncccn2)[C@@H](C2CC2)C[NH2+]1 ZINC000085519094 179088158 /nfs/dbraw/zinc/08/81/58/179088158.db2.gz XERSTFFTTVAFRF-CQSZACIVSA-N 1 0 274.412 2.219 10 0 CEAERO CC(C)n1ccc(CN2C[C@@H](C3CC3)[NH2+]C[C@@H]2C)n1 ZINC000085521742 179088468 /nfs/dbraw/zinc/08/84/68/179088468.db2.gz YNHWHZMTBWQXSA-WFASDCNBSA-N 1 0 262.401 2.036 10 0 CEAERO C[C@@H]1CNC2(CCCC2)C[N@@H+]1CC1CCOCC1 ZINC000085497630 179083864 /nfs/dbraw/zinc/08/38/64/179083864.db2.gz KPSXDAZKJWNAHG-CYBMUJFWSA-N 1 0 252.402 2.020 10 0 CEAERO CCc1nc2c(n1-c1cc(F)cc(F)c1F)CC[NH2+]C2 ZINC000085571124 179097558 /nfs/dbraw/zinc/09/75/58/179097558.db2.gz JJSMPQOMFNUMNZ-UHFFFAOYSA-N 1 0 281.281 2.498 10 0 CEAERO c1ccc2c(c1)OC[C@@H]2n1c2c(nc1C1CC1)C[NH2+]CC2 ZINC000085572060 179097636 /nfs/dbraw/zinc/09/76/36/179097636.db2.gz FRDIZLLORANTQR-HNNXBMFYSA-N 1 0 281.359 2.388 10 0 CEAERO C([C@H]1CCCCO1)N1C[C@H](C2CC2)[NH2+]C[C@@H]1C1CC1 ZINC000085526365 179089657 /nfs/dbraw/zinc/08/96/57/179089657.db2.gz GGUDLQYBKJHJFE-BZUAXINKSA-N 1 0 264.413 2.018 10 0 CEAERO CCn1cc(CN2C[C@H](C3CC3)[NH2+]C[C@@]2(C)C2CC2)cn1 ZINC000085529436 179091458 /nfs/dbraw/zinc/09/14/58/179091458.db2.gz TUVNBJQAIPOQMG-SJORKVTESA-N 1 0 288.439 2.256 10 0 CEAERO Cc1ccc(F)c(O[C@@H]2CC3(CC[C@@H]2[NH3+])OCCO3)c1 ZINC000085553822 179093161 /nfs/dbraw/zinc/09/31/61/179093161.db2.gz YIDWUMWFUVTLRE-GXTWGEPZSA-N 1 0 281.327 2.136 10 0 CEAERO Cc1ccc(F)c(OC[C@@]([NH2+]C(C)C)(C(N)=O)C2CC2)c1 ZINC000085560122 179093985 /nfs/dbraw/zinc/09/39/85/179093985.db2.gz GNUXRYKXMUFLHW-INIZCTEOSA-N 1 0 294.370 2.145 10 0 CEAERO c1nc2c(n1[C@@H]1CCc3ccccc3C1)CC[NH2+]C2 ZINC000085567273 179095071 /nfs/dbraw/zinc/09/50/71/179095071.db2.gz DYEXIVMYSODEQL-CQSZACIVSA-N 1 0 253.349 2.259 10 0 CEAERO CC(C)(C)c1nc2c(n1C[C@H]1CCCO1)CC[NH2+]C2 ZINC000085568252 179095321 /nfs/dbraw/zinc/09/53/21/179095321.db2.gz PDQIDPVQDQYPSE-LLVKDONJSA-N 1 0 263.385 2.005 10 0 CEAERO CC(C)Cc1nc2c(n1[C@@H]1CCCC[C@@H]1O)CC[NH2+]C2 ZINC000085571257 179096924 /nfs/dbraw/zinc/09/69/24/179096924.db2.gz MQBIJCKLDNBKMC-CABCVRRESA-N 1 0 277.412 2.203 10 0 CEAERO CC[C@H](COC)n1c2c(nc1C(F)(F)F)C[NH2+]CC2 ZINC000085574829 179099792 /nfs/dbraw/zinc/09/97/92/179099792.db2.gz BUKKYWNJZQOVDC-MRVPVSSYSA-N 1 0 277.290 2.145 10 0 CEAERO C[C@H]1CCN[C@@H](Cc2ccccc2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085618981 179105249 /nfs/dbraw/zinc/10/52/49/179105249.db2.gz UGWAJZPRCVCTIA-SZMVWBNQSA-N 1 0 288.435 2.318 10 0 CEAERO C[C@@H]1CC[NH2+]C(C)(C)CN1Cc1cn2ccccc2n1 ZINC000085622708 179105682 /nfs/dbraw/zinc/10/56/82/179105682.db2.gz PVKREVCBGRCUAP-CYBMUJFWSA-N 1 0 272.396 2.297 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+]CCCc2nnc[nH]2)C12CCCC2 ZINC000085681740 179113885 /nfs/dbraw/zinc/11/38/85/179113885.db2.gz JJBXIKIOFPQMJN-OLZOCXBDSA-N 1 0 278.400 2.065 10 0 CEAERO CCO[C@H]1C[C@H]([NH2+][C@@H]2CCN(C)C2)C12CCCC2 ZINC000085680534 179114166 /nfs/dbraw/zinc/11/41/66/179114166.db2.gz CPLDYFLCTIEDNV-RDBSUJKOSA-N 1 0 252.402 2.018 10 0 CEAERO CCO[C@H]1C[C@H]([NH2+]CCN(C)C2CC2)C12CCCC2 ZINC000085681239 179114334 /nfs/dbraw/zinc/11/43/34/179114334.db2.gz HSEFVRZUWGLDSB-GJZGRUSLSA-N 1 0 266.429 2.408 10 0 CEAERO CCOC(=O)N1CCC([NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000085629881 179108108 /nfs/dbraw/zinc/10/81/08/179108108.db2.gz VAPNRADZFQXWTE-IHRRRGAJSA-N 1 0 296.411 2.010 10 0 CEAERO Cc1cc([C@H]2C[C@@]2(C[NH3+])CO)ccc1Br ZINC000085708578 179123167 /nfs/dbraw/zinc/12/31/67/179123167.db2.gz ZNKVEFFPHPXZFU-ZYHUDNBSSA-N 1 0 270.170 2.182 10 0 CEAERO CC(=O)Nc1ccc(C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)cc1 ZINC000128430522 187369880 /nfs/dbraw/zinc/36/98/80/187369880.db2.gz GDNOBZFDYXYTNW-OAHLLOKOSA-N 1 0 298.390 2.368 10 0 CEAERO CCS(=O)(=O)c1ccc(NC[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000129284466 365843039 /nfs/dbraw/zinc/84/30/39/365843039.db2.gz DKOMQVGVHASMQJ-HNNXBMFYSA-N 1 0 296.436 2.282 10 0 CEAERO CC[C@](C)([C@H]([NH3+])Cc1ccccc1)N1CCOCC1 ZINC000085750020 179142218 /nfs/dbraw/zinc/14/22/18/179142218.db2.gz WTKNNLRUDVBGLK-HZPDHXFCSA-N 1 0 262.397 2.057 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H](OCC)C1(CC)CC ZINC000236914297 370653053 /nfs/dbraw/zinc/65/30/53/370653053.db2.gz GXXBXBIZKUXPJM-YNEHKIRRSA-N 1 0 270.417 2.214 10 0 CEAERO CN(C)C[C@H]([NH3+])Cc1cc(Br)ccc1F ZINC000085797881 179172606 /nfs/dbraw/zinc/17/26/06/179172606.db2.gz LFSDVUYRAIZSKH-SNVBAGLBSA-N 1 0 275.165 2.020 10 0 CEAERO C[NH2+][C@H](Cc1cc(F)ccc1Br)CN(C)C ZINC000085798780 179172684 /nfs/dbraw/zinc/17/26/84/179172684.db2.gz ZMACMTGFWKDLCT-LLVKDONJSA-N 1 0 289.192 2.280 10 0 CEAERO CCn1c([C@@]2([NH3+])CCOC2)nc2cccc(Cl)c21 ZINC000085849732 179187572 /nfs/dbraw/zinc/18/75/72/179187572.db2.gz ADMBOUGVDCGVJC-CYBMUJFWSA-N 1 0 265.744 2.284 10 0 CEAERO CCC(CC)[C@@H](NC(=O)[C@@]1([NH3+])CCOC1)c1ccccc1 ZINC000085873775 179193814 /nfs/dbraw/zinc/19/38/14/179193814.db2.gz SHJZGLLPTXBROG-NVXWUHKLSA-N 1 0 290.407 2.398 10 0 CEAERO [NH3+][C@@]1(C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)CCOC1 ZINC000085877825 179195326 /nfs/dbraw/zinc/19/53/26/179195326.db2.gz HFHQZJRUGBFHBD-HIFRSBDPSA-N 1 0 294.782 2.121 10 0 CEAERO C[C@@H](C[NH3+])[C@@](C)(O)c1ccc(Br)cc1 ZINC000085899367 179196047 /nfs/dbraw/zinc/19/60/47/179196047.db2.gz HPCAUOKTMQGOKC-GZMMTYOYSA-N 1 0 258.159 2.251 10 0 CEAERO COc1ccc(CCC(=O)NC[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000085964555 179205534 /nfs/dbraw/zinc/20/55/34/179205534.db2.gz RMCFQXVWXAJVFA-GOEBONIOSA-N 1 0 290.407 2.262 10 0 CEAERO Cc1cccc(CC(=O)NC[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000085965923 179205994 /nfs/dbraw/zinc/20/59/94/179205994.db2.gz ZINFETPEERBRPD-LSDHHAIUSA-N 1 0 260.381 2.171 10 0 CEAERO Cc1ccc(NC(=O)[C@]2([NH3+])CCOC2)cc1C(F)(F)F ZINC000085913207 179197800 /nfs/dbraw/zinc/19/78/00/179197800.db2.gz KGCUPZSJILWJGA-LBPRGKRZSA-N 1 0 288.269 2.070 10 0 CEAERO COC(=O)c1ccccc1C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000085977782 179208517 /nfs/dbraw/zinc/20/85/17/179208517.db2.gz XLPXFQIIALMVGH-UKRRQHHQSA-N 1 0 277.364 2.114 10 0 CEAERO CC[NH2+][C@H](CCO)CN(C)C1CCC(CC)CC1 ZINC000085922228 179200555 /nfs/dbraw/zinc/20/05/55/179200555.db2.gz KIBXFKBNTBGWBL-SHARSMKWSA-N 1 0 256.434 2.248 10 0 CEAERO CC[NH2+][C@H](CCO)C[S@@](=O)c1ccc(C(C)C)cc1 ZINC000085927170 179202158 /nfs/dbraw/zinc/20/21/58/179202158.db2.gz ZARIFTNJWRFWLM-KUHUBIRLSA-N 1 0 283.437 2.278 10 0 CEAERO CCOc1ccc2[nH]c(SC[C@H](CCO)[NH2+]C)nc2c1 ZINC000085928208 179203000 /nfs/dbraw/zinc/20/30/00/179203000.db2.gz OCAYVZDVABBDIL-JTQLQIEISA-N 1 0 295.408 2.024 10 0 CEAERO C[C@@H]1CN(Cc2[nH+]c(NN)ccc2Cl)C[C@H]1C ZINC000086012118 179214567 /nfs/dbraw/zinc/21/45/67/179214567.db2.gz OFHQANUGDCXTFJ-RKDXNWHRSA-N 1 0 254.765 2.108 10 0 CEAERO Cc1[nH+]c2cc(N)ccc2n1C[C@@H]1CCCC[C@H]1O ZINC000086017974 179217204 /nfs/dbraw/zinc/21/72/04/179217204.db2.gz UMGSUKWWLODEQB-XHDPSFHLSA-N 1 0 259.353 2.478 10 0 CEAERO c1coc(-c2noc(C[NH2+]CCc3ccccn3)n2)c1 ZINC000065395889 362816813 /nfs/dbraw/zinc/81/68/13/362816813.db2.gz KNWHCTVMJHIPSF-UHFFFAOYSA-N 1 0 270.292 2.057 10 0 CEAERO C[C@@H]1CC[C@@H](NC(=O)Cc2ccc(C[NH3+])cc2)[C@@H]1C ZINC000086068857 179224364 /nfs/dbraw/zinc/22/43/64/179224364.db2.gz LOGHDZZINVZWAR-LALPHHSUSA-N 1 0 260.381 2.239 10 0 CEAERO C[C@@H]1CC[C@H](NC(=O)C2(C[NH3+])CCCCC2)[C@@H]1C ZINC000086073952 179224896 /nfs/dbraw/zinc/22/48/96/179224896.db2.gz VLILXICSWJJTCE-UPJWGTAASA-N 1 0 252.402 2.446 10 0 CEAERO Cc1cc(C)c(C)c([C@@H]([NH3+])[C@@H]2CCS(=O)(=O)C2)c1C ZINC000086019948 179217985 /nfs/dbraw/zinc/21/79/85/179217985.db2.gz QSJLASFSZAKFBG-HIFRSBDPSA-N 1 0 281.421 2.355 10 0 CEAERO CCC[NH2+][C@@H](c1ccc(C)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000086022326 179219116 /nfs/dbraw/zinc/21/91/16/179219116.db2.gz PRMUKPRDYAUJKC-DGCLKSJQSA-N 1 0 271.382 2.063 10 0 CEAERO c1ccc(CCN2CC[NH2+][C@H](C3CCCCC3)C2)nc1 ZINC000086130637 179237124 /nfs/dbraw/zinc/23/71/24/179237124.db2.gz ADPGGDCVHJSSFD-KRWDZBQOSA-N 1 0 273.424 2.478 10 0 CEAERO CC[C@]1(C)CN(CCOc2cccc(C)c2)CC[NH2+]1 ZINC000086145303 179237514 /nfs/dbraw/zinc/23/75/14/179237514.db2.gz YZWWZEZKUAPOMF-MRXNPFEDSA-N 1 0 262.397 2.448 10 0 CEAERO CC[C@H]1CC[C@H]([NH2+]Cc2cnc(N(C)C)n2C)[C@@H]1C ZINC000086091903 179229031 /nfs/dbraw/zinc/22/90/31/179229031.db2.gz VEOUUEDAOYHTHJ-DYEKYZERSA-N 1 0 264.417 2.400 10 0 CEAERO CC[C@@H]1CC[C@H](NC(=O)C[C@@H]2CCCC[NH2+]2)[C@@H]1C ZINC000086098749 179229331 /nfs/dbraw/zinc/22/93/31/179229331.db2.gz VGMJBLPHXRCGBI-MQYQWHSLSA-N 1 0 252.402 2.460 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C)CN1CCc1ccc2c(c1)OCCO2 ZINC000086151959 179240262 /nfs/dbraw/zinc/24/02/62/179240262.db2.gz QBBKPYTVASZYLC-HIFRSBDPSA-N 1 0 290.407 2.073 10 0 CEAERO COc1ccc(CN2CC[NH2+][C@](C)(C3CC3)C2)c(OC)c1 ZINC000086149336 179240455 /nfs/dbraw/zinc/24/04/55/179240455.db2.gz SAAJOIBDZQZSPM-KRWDZBQOSA-N 1 0 290.407 2.278 10 0 CEAERO c1nc(CN2CC[NH2+][C@@H](c3ccccc3)C2)cs1 ZINC000086149442 179240523 /nfs/dbraw/zinc/24/05/23/179240523.db2.gz QCMIRXNTOOPSAV-CQSZACIVSA-N 1 0 259.378 2.290 10 0 CEAERO Cc1csc([C@H](C)N2CC[NH2+][C@H](C(C)C)C2)n1 ZINC000086150569 179240763 /nfs/dbraw/zinc/24/07/63/179240763.db2.gz RUEUNSKMESHTAH-RYUDHWBXSA-N 1 0 253.415 2.442 10 0 CEAERO CC[C@H]1CN[C@H](C(C)C)C[N@@H+]1[C@@H]1CCC[C@@H]1OC ZINC000086174366 179245597 /nfs/dbraw/zinc/24/55/97/179245597.db2.gz FLPBHLWQBGVHBA-XQLPTFJDSA-N 1 0 254.418 2.262 10 0 CEAERO COC[C@H](C)[N@@H+]1C[C@](C)(C2CC2)NC[C@@H]1C(C)C ZINC000086179895 179246605 /nfs/dbraw/zinc/24/66/05/179246605.db2.gz CJMVNMIPMZJNRO-NWANDNLSSA-N 1 0 254.418 2.120 10 0 CEAERO CO[C@H]1CCC[C@H]1N1CC[NH2+][C@H](C2CCCCC2)C1 ZINC000086146831 179239665 /nfs/dbraw/zinc/23/96/65/179239665.db2.gz NPMVMBPKXFRUSC-XHSDSOJGSA-N 1 0 266.429 2.408 10 0 CEAERO CC(C)n1cc(N2CC[NH2+][C@@H](Cc3ccccc3)C2)cn1 ZINC000086148296 179239751 /nfs/dbraw/zinc/23/97/51/179239751.db2.gz CZVJYERXVPHMBT-INIZCTEOSA-N 1 0 284.407 2.485 10 0 CEAERO CCC1(CC)CN(C[C@@H]2Cc3ccccc3O2)CC[NH2+]1 ZINC000086147001 179239840 /nfs/dbraw/zinc/23/98/40/179239840.db2.gz ITGWUVMJLBCAAR-HNNXBMFYSA-N 1 0 274.408 2.454 10 0 CEAERO C[C@H]1CN[C@@H](c2ccccc2)C[N@@H+]1C1CCOCC1 ZINC000086218757 179250877 /nfs/dbraw/zinc/25/08/77/179250877.db2.gz LDHVEUUIOKTGSN-XJKSGUPXSA-N 1 0 260.381 2.200 10 0 CEAERO CC[C@@H]1CN[C@@H](C(C)(C)C)C[N@@H+]1C1CCOCC1 ZINC000086218780 179251085 /nfs/dbraw/zinc/25/10/85/179251085.db2.gz NXXFXMQVYXDLSO-TZMCWYRMSA-N 1 0 254.418 2.264 10 0 CEAERO CC[C@H]1CN(c2cnn(CC)c2)[C@H](C(C)C)C[NH2+]1 ZINC000086218553 179251246 /nfs/dbraw/zinc/25/12/46/179251246.db2.gz GYBMVLMWOXKWRS-JSGCOSHPSA-N 1 0 250.390 2.116 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C2CC2)CN1c1cnn(C(C)C)c1 ZINC000086263479 179260905 /nfs/dbraw/zinc/26/09/05/179260905.db2.gz QGVZCNXDGBIERF-HIFRSBDPSA-N 1 0 262.401 2.431 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C2CC2)CN1Cc1ccnc(OC)c1 ZINC000086263841 179261020 /nfs/dbraw/zinc/26/10/20/179261020.db2.gz VAZURTKBLXKNAF-HUUCEWRRSA-N 1 0 275.396 2.053 10 0 CEAERO COc1ccc(CN2C[C@@H](CC(C)C)[NH2+]C[C@@H]2C)cn1 ZINC000086263924 179261438 /nfs/dbraw/zinc/26/14/38/179261438.db2.gz XQEGYHMVQBETAG-DZGCQCFKSA-N 1 0 277.412 2.299 10 0 CEAERO CC[C@@H]1CN(c2cc(OC)cc(OC)c2)CCC[NH2+]1 ZINC000086269470 179261976 /nfs/dbraw/zinc/26/19/76/179261976.db2.gz QZVSQHUYRCPKGZ-GFCCVEGCSA-N 1 0 264.369 2.282 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C2CC2)CN1CCc1cscn1 ZINC000086265570 179262273 /nfs/dbraw/zinc/26/22/73/179262273.db2.gz PLUAAPWPFIDZQM-UONOGXRCSA-N 1 0 265.426 2.148 10 0 CEAERO CC[C@@H]1CN[C@](C)(CC)C[N@@H+]1CC[C@@H]1CCCO1 ZINC000086258848 179256446 /nfs/dbraw/zinc/25/64/46/179256446.db2.gz XEMJHPLGWONFPH-QLFBSQMISA-N 1 0 254.418 2.408 10 0 CEAERO CC(C)[C@@H]1CN[C@H](C2CC2)C[N@@H+]1CC[C@@H]1CCCO1 ZINC000086258810 179256787 /nfs/dbraw/zinc/25/67/87/179256787.db2.gz IUCUOGTZAILJBH-JYJNAYRXSA-N 1 0 266.429 2.264 10 0 CEAERO CCCN1CCO[C@H](C[NH3+])[C@@H]1c1ccc2ccccc2n1 ZINC000086317395 179270122 /nfs/dbraw/zinc/27/01/22/179270122.db2.gz XCTRIMXTUYHFCA-SJORKVTESA-N 1 0 285.391 2.345 10 0 CEAERO CCC[NH2+]CCOc1nc(Br)cs1 ZINC000086291645 179266461 /nfs/dbraw/zinc/26/64/61/179266461.db2.gz RFJUZJVNUDAXHZ-UHFFFAOYSA-N 1 0 265.176 2.284 10 0 CEAERO Brc1csc(OC[C@H]2CCC[NH2+]2)n1 ZINC000086291619 179266655 /nfs/dbraw/zinc/26/66/55/179266655.db2.gz WZYXKZIPCGTHLU-ZCFIWIBFSA-N 1 0 263.160 2.036 10 0 CEAERO CC(C)C[C@H]1CN(Cc2cscn2)CCC[NH2+]1 ZINC000086297840 179267206 /nfs/dbraw/zinc/26/72/06/179267206.db2.gz UEQCGYPAICPUDY-LBPRGKRZSA-N 1 0 253.415 2.353 10 0 CEAERO O=C(N[C@H]1CC[NH2+]C2(CCCCC2)C1)c1ccncc1F ZINC000086316712 179269510 /nfs/dbraw/zinc/26/95/10/179269510.db2.gz BVUUVOAEMUTSBI-LBPRGKRZSA-N 1 0 291.370 2.405 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H](Oc2ncccc2Br)C1 ZINC000086409025 179286483 /nfs/dbraw/zinc/28/64/83/179286483.db2.gz ASLIGMXBFFOBFM-RKDXNWHRSA-N 1 0 271.158 2.493 10 0 CEAERO C[NH2+][C@H]1CCCc2sc(N(C)Cc3cnn(C)c3)nc21 ZINC000086443780 179293967 /nfs/dbraw/zinc/29/39/67/179293967.db2.gz OLHFBHSPMAYOEG-NSHDSACASA-N 1 0 291.424 2.110 10 0 CEAERO [NH3+]Cc1c[nH]nc1-c1ccc(F)c(Br)c1 ZINC000086442632 179294231 /nfs/dbraw/zinc/29/42/31/179294231.db2.gz DDEFWCZBFYMGQC-UHFFFAOYSA-N 1 0 270.105 2.437 10 0 CEAERO CC[C@@H]1CN(C(=O)c2cc(C)ccc2O)[C@H](CC)C[NH2+]1 ZINC000086446326 179294681 /nfs/dbraw/zinc/29/46/81/179294681.db2.gz REXIUUBYSZLCQL-CHWSQXEVSA-N 1 0 276.380 2.303 10 0 CEAERO CC[C@H]1CN(C(=O)Cc2ccc(F)cc2)[C@@H](CC)C[NH2+]1 ZINC000086446311 179294809 /nfs/dbraw/zinc/29/48/09/179294809.db2.gz BBOBTGVMMXXEST-GJZGRUSLSA-N 1 0 278.371 2.357 10 0 CEAERO CC[C@@H]1CN(C(=O)c2ccsc2)[C@@H](CC)C[NH2+]1 ZINC000086446027 179294812 /nfs/dbraw/zinc/29/48/12/179294812.db2.gz PQKFTEPANLZBFS-NEPJUHHUSA-N 1 0 252.383 2.351 10 0 CEAERO CC[C@@H]1CN(C(=O)c2ccc(C)c(O)c2)[C@H](CC)C[NH2+]1 ZINC000086446437 179295093 /nfs/dbraw/zinc/29/50/93/179295093.db2.gz HXNQXNPQMDEJSJ-ZIAGYGMSSA-N 1 0 276.380 2.303 10 0 CEAERO CC[C@@H]1CN(C(=O)c2cccn2C2CC2)[C@H](CC)C[NH2+]1 ZINC000086448003 179295518 /nfs/dbraw/zinc/29/55/18/179295518.db2.gz OYIONLMISIKOSZ-CHWSQXEVSA-N 1 0 275.396 2.426 10 0 CEAERO C[NH2+][C@H](Cc1ccnc(N)c1)[C@@H]1Cc2ccccc21 ZINC000086488854 179302460 /nfs/dbraw/zinc/30/24/60/179302460.db2.gz NLRXLFQZRVKHAM-HUUCEWRRSA-N 1 0 253.349 2.134 10 0 CEAERO CC[C@@H]1CN([C@@H](C)C(=O)Nc2ccccc2)[C@@H](CC)C[NH2+]1 ZINC000086465797 179296998 /nfs/dbraw/zinc/29/69/98/179296998.db2.gz YKPDJIANFAZCFH-LZWOXQAQSA-N 1 0 289.423 2.476 10 0 CEAERO C[C@H]1CN(CC(=O)N(C2=CCCCC2)C2CC2)[C@@H](C)C[NH2+]1 ZINC000086470402 179299759 /nfs/dbraw/zinc/29/97/59/179299759.db2.gz NRCHJIWATKXWIV-KBPBESRZSA-N 1 0 291.439 2.118 10 0 CEAERO C[NH2+][C@H](c1cscc1Br)[C@@H]1COCCO1 ZINC000086555699 179307043 /nfs/dbraw/zinc/30/70/43/179307043.db2.gz JNDZHKHHMVPFBO-VHSXEESVSA-N 1 0 292.198 2.187 10 0 CEAERO [NH3+]C1(c2ccc3c(c2)OCCO3)CC2(C1)CCOCC2 ZINC000086539886 179307135 /nfs/dbraw/zinc/30/71/35/179307135.db2.gz MMGPXBCNCMFKGX-UHFFFAOYSA-N 1 0 275.348 2.202 10 0 CEAERO COc1ccc(C2([NH3+])CC3(C2)CCOCC3)cc1OC ZINC000086539868 179307139 /nfs/dbraw/zinc/30/71/39/179307139.db2.gz KFADOPNWNGQHNL-UHFFFAOYSA-N 1 0 277.364 2.448 10 0 CEAERO CCC1(CC)CC(C[NH2+]C2CC2)(S(C)(=O)=O)C1 ZINC000086521323 179306122 /nfs/dbraw/zinc/30/61/22/179306122.db2.gz KVVNGBNWCRCVQR-UHFFFAOYSA-N 1 0 259.415 2.122 10 0 CEAERO [NH3+][C@@]1(CO)CC[C@H](Sc2ncccc2Cl)C1 ZINC000086637098 179314932 /nfs/dbraw/zinc/31/49/32/179314932.db2.gz UUPZHSFSOWPPIY-KWQFWETISA-N 1 0 258.774 2.069 10 0 CEAERO C[C@H](C[NH3+])CNc1c(F)c(F)c(F)c(F)c1F ZINC000086634528 179315139 /nfs/dbraw/zinc/31/51/39/179315139.db2.gz DOPFRPLMSBJBOL-SCSAIBSYSA-N 1 0 254.202 2.389 10 0 CEAERO CC(C)Cn1c2ccc(C[NH3+])cc2nc1C(C)(C)O ZINC000086641664 179315215 /nfs/dbraw/zinc/31/52/15/179315215.db2.gz KXFKRRXHABDARF-UHFFFAOYSA-N 1 0 261.369 2.378 10 0 CEAERO COC[C@H]([NH2+]C[C@@H](O)COCCCC(C)C)C(C)C ZINC000086700586 179321365 /nfs/dbraw/zinc/32/13/65/179321365.db2.gz GSSJCCROEYPAQR-CABCVRRESA-N 1 0 275.433 2.061 10 0 CEAERO CCC(CC)(CC)NS(=O)(=O)C[C@H]1CCCC[NH2+]1 ZINC000086647087 179316707 /nfs/dbraw/zinc/31/67/07/179316707.db2.gz XNWFECYEHKDLDA-GFCCVEGCSA-N 1 0 276.446 2.017 10 0 CEAERO Cc1ccc(C[NH2+][C@H]2CCC[C@H]2S(C)(=O)=O)cc1 ZINC000086670700 179317061 /nfs/dbraw/zinc/31/70/61/179317061.db2.gz HRDDXSZCZAOLHD-UONOGXRCSA-N 1 0 267.394 2.050 10 0 CEAERO C[C@](O)([C@@H]1CCC[NH2+]C1)[C@@H]1CCc2ccccc2N1 ZINC000086666863 179317398 /nfs/dbraw/zinc/31/73/98/179317398.db2.gz COEWVRWPCUWVSH-KBMXLJTQSA-N 1 0 260.381 2.164 10 0 CEAERO C[NH+](C)Cc1cccc(N[C@H]2CCC[C@H]2S(C)(=O)=O)c1 ZINC000086672980 179317734 /nfs/dbraw/zinc/31/77/34/179317734.db2.gz IEGGZBQDNGDGIB-LSDHHAIUSA-N 1 0 296.436 2.126 10 0 CEAERO CS(=O)(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000086675633 179318333 /nfs/dbraw/zinc/31/83/33/179318333.db2.gz UEGJZJYQRRIVLU-OLZOCXBDSA-N 1 0 289.347 2.020 10 0 CEAERO Cc1ccccc1C[C@H](C)[NH2+][C@H]1CCC[C@@H]1S(C)(=O)=O ZINC000086675030 179318378 /nfs/dbraw/zinc/31/83/78/179318378.db2.gz OAAYSWFDZGHUGB-BPUTZDHNSA-N 1 0 295.448 2.481 10 0 CEAERO Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1S(C)(=O)=O ZINC000086674775 179318412 /nfs/dbraw/zinc/31/84/12/179318412.db2.gz RSESOHLLAIQQFG-KGLIPLIRSA-N 1 0 267.394 2.050 10 0 CEAERO CCN(C)C(=O)CC[N@@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000130362185 365948316 /nfs/dbraw/zinc/94/83/16/365948316.db2.gz JQSVVSJRCDQGLM-AWEZNQCLSA-N 1 0 292.427 2.042 10 0 CEAERO CCC(CC)C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000086776303 179328902 /nfs/dbraw/zinc/32/89/02/179328902.db2.gz LPKRHUMEWUPFGY-OAHLLOKOSA-N 1 0 282.428 2.436 10 0 CEAERO C[C@H](O[C@]1(C[NH3+])CCC[C@@H](C)C1)C(=O)N1CCCCC1 ZINC000086712918 179322682 /nfs/dbraw/zinc/32/26/82/179322682.db2.gz QGEXMVDXXVDMQH-IJEWVQPXSA-N 1 0 282.428 2.312 10 0 CEAERO CC[C@@](C)([NH3+])C(=O)NCc1cccc(Br)c1 ZINC000086804936 179338768 /nfs/dbraw/zinc/33/87/68/179338768.db2.gz BZNNGGWPZCMBDH-GFCCVEGCSA-N 1 0 285.185 2.193 10 0 CEAERO CC[C@@](C)([NH3+])C(=O)Nc1cc(C)c(Br)cn1 ZINC000086808689 179340374 /nfs/dbraw/zinc/34/03/74/179340374.db2.gz JVSBBHDRTXTGDV-LLVKDONJSA-N 1 0 286.173 2.218 10 0 CEAERO CN(C)C(=O)c1ccc(N[C@H]2CCC[N@H+](C)CC2)cc1 ZINC000086817705 179345817 /nfs/dbraw/zinc/34/58/17/179345817.db2.gz FSOQMLRSHLGPDR-AWEZNQCLSA-N 1 0 275.396 2.285 10 0 CEAERO C[N@@H+]1CCC[C@@H](Nc2ccccc2-n2ccnn2)CC1 ZINC000086817602 179345965 /nfs/dbraw/zinc/34/59/65/179345965.db2.gz WSNZPZPEDQIOHQ-CYBMUJFWSA-N 1 0 271.368 2.164 10 0 CEAERO CCC[C@]1(C(=O)[O-])CCC[N@@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC000086834593 179349868 /nfs/dbraw/zinc/34/98/68/179349868.db2.gz QCTJOPJAYOFVHS-ZBFHGGJFSA-N 1 0 282.428 2.438 10 0 CEAERO CC[N@@H+]1CCC[C@H](n2nc(C)c(Cl)c2N)CC1 ZINC000086846035 179354879 /nfs/dbraw/zinc/35/48/79/179354879.db2.gz RYWQGULWFRCBCI-JTQLQIEISA-N 1 0 256.781 2.474 10 0 CEAERO CCC[N@@H+]1CCC[C@](NCCOC)(c2nccs2)CC1 ZINC000086851710 179359731 /nfs/dbraw/zinc/35/97/31/179359731.db2.gz IDCLFRAUGJZHOG-OAHLLOKOSA-N 1 0 297.468 2.470 10 0 CEAERO Cc1cnc(N)c([C@@]2(O)CCC[N@@H+](C(C)C)CC2)c1 ZINC000086867657 179360800 /nfs/dbraw/zinc/36/08/00/179360800.db2.gz SLGCQCZEPDBTSF-OAHLLOKOSA-N 1 0 263.385 2.054 10 0 CEAERO Cc1cccc(CN(C)[C@@]2(C[NH3+])CCCOCC2)c1 ZINC000086875074 179364929 /nfs/dbraw/zinc/36/49/29/179364929.db2.gz DVGJDSBVTCAIEJ-INIZCTEOSA-N 1 0 262.397 2.325 10 0 CEAERO CN(Cc1cccc(F)c1)[C@]1(C[NH3+])CCCOCC1 ZINC000086874875 179364812 /nfs/dbraw/zinc/36/48/12/179364812.db2.gz KHZNFAXJDUWXSJ-OAHLLOKOSA-N 1 0 266.360 2.156 10 0 CEAERO CC[N@@H+]1CCC[C@@](O)(c2ccc3c(c2)OCCO3)CC1 ZINC000086852139 179359419 /nfs/dbraw/zinc/35/94/19/179359419.db2.gz IPTQUDPNLGAZRG-INIZCTEOSA-N 1 0 277.364 2.151 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH2+]C)c1cccc(C)c1 ZINC000086978899 179372544 /nfs/dbraw/zinc/37/25/44/179372544.db2.gz IAKSPVNBOTXLEL-CQSZACIVSA-N 1 0 269.410 2.470 10 0 CEAERO CCC(CC)(CCCS(=O)(=O)CC)C[NH2+]CCOC ZINC000086981129 179372866 /nfs/dbraw/zinc/37/28/66/179372866.db2.gz VPZUDSMHBDZRJF-UHFFFAOYSA-N 1 0 293.473 2.244 10 0 CEAERO CCC[NH2+][C@H]1CC[C@@H](CCCS(=O)(=O)CC)C1 ZINC000086981709 179372872 /nfs/dbraw/zinc/37/28/72/179372872.db2.gz VBXFKXHBYIUGAI-OLZOCXBDSA-N 1 0 261.431 2.370 10 0 CEAERO C1C[NH2+][C@H](c2nc([C@@H]3CSCCS3)no2)C1 ZINC000086981375 179373174 /nfs/dbraw/zinc/37/31/74/179373174.db2.gz OXYOHLROPKIGPG-YUMQZZPRSA-N 1 0 257.384 2.015 10 0 CEAERO CCS(=O)(=O)CCCn1cc(C[NH2+]C)c2ccccc21 ZINC000086981614 179373217 /nfs/dbraw/zinc/37/32/17/179373217.db2.gz IKEFSYYNXVLXGR-UHFFFAOYSA-N 1 0 294.420 2.186 10 0 CEAERO Clc1ncc(CN2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000086887430 179366103 /nfs/dbraw/zinc/36/61/03/179366103.db2.gz PNONIFPDAMCVDW-SECBINFHSA-N 1 0 257.790 2.077 10 0 CEAERO CC(C)[C@@H]1CCC[C@@H]([NH2+]C2CCN(CC(N)=O)CC2)CC1 ZINC000086943269 179367976 /nfs/dbraw/zinc/36/79/76/179367976.db2.gz WUOMQGZPZHKCJA-HUUCEWRRSA-N 1 0 295.471 2.131 10 0 CEAERO CC(C)(C)[C@@H]1CCC[C@H]([NH2+]CCCS(N)(=O)=O)CC1 ZINC000086957954 179368981 /nfs/dbraw/zinc/36/89/81/179368981.db2.gz HGIWTTMCZBVDOI-OLZOCXBDSA-N 1 0 290.473 2.250 10 0 CEAERO CCC[C@@H]1CCC[C@@](NCC[NH+](C)C)(C(=O)OC)CC1 ZINC000086949893 179369019 /nfs/dbraw/zinc/36/90/19/179369019.db2.gz WFAOADSZRPTFJC-ZBFHGGJFSA-N 1 0 284.444 2.430 10 0 CEAERO CC(C)[C@@H]1CCC[C@@](C[NH3+])(N2CCOCC2)CC1 ZINC000086947835 179369038 /nfs/dbraw/zinc/36/90/38/179369038.db2.gz TZKRDXJIHZFPJQ-HUUCEWRRSA-N 1 0 254.418 2.252 10 0 CEAERO COCCC[C@@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000086963669 179369385 /nfs/dbraw/zinc/36/93/85/179369385.db2.gz FQSTZUNVYSNDTE-GFCCVEGCSA-N 1 0 251.326 2.274 10 0 CEAERO CCc1ccc([C@@H](C)[NH2+]CCc2nncn2C)s1 ZINC000104069116 185892375 /nfs/dbraw/zinc/89/23/75/185892375.db2.gz VQRLPHCFVYFKBU-SNVBAGLBSA-N 1 0 264.398 2.332 10 0 CEAERO CCC[NH2+][C@@H]1CCC[C@@H]1c1nc(CCCOC)no1 ZINC000086971984 179370462 /nfs/dbraw/zinc/37/04/62/179370462.db2.gz QBOOFQVCPQCXFQ-NWDGAFQWSA-N 1 0 267.373 2.284 10 0 CEAERO CC[NH2+][C@H](CCCOC)c1cc(Cl)cnc1N ZINC000086970206 179370530 /nfs/dbraw/zinc/37/05/30/179370530.db2.gz JPKQJGZTYLZGMH-LLVKDONJSA-N 1 0 257.765 2.394 10 0 CEAERO CC[NH2+][C@H]1CCCC[C@@H]1c1nc(CCCOC)no1 ZINC000086972092 179370902 /nfs/dbraw/zinc/37/09/02/179370902.db2.gz FWXPGOLBODIEFU-RYUDHWBXSA-N 1 0 267.373 2.284 10 0 CEAERO C[NH2+][C@H](CC[C@H]1CCCO1)[C@@H]1CSCCS1 ZINC000086984834 179373902 /nfs/dbraw/zinc/37/39/02/179373902.db2.gz KJBPTGWSBLWGEQ-UTUOFQBUSA-N 1 0 261.456 2.382 10 0 CEAERO c1cc(N2CCOCC2)cc2c1CC[C@@]21CCC[NH2+]1 ZINC000066347883 362862056 /nfs/dbraw/zinc/86/20/56/362862056.db2.gz MYIMPBQYUULJDZ-INIZCTEOSA-N 1 0 258.365 2.048 10 0 CEAERO CC[C@](C)(O)C[NH2+][C@@H]1CCOc2ccc(OC)cc21 ZINC000087012100 179379430 /nfs/dbraw/zinc/37/94/30/179379430.db2.gz KGOUWHBNFBXYMA-HIFRSBDPSA-N 1 0 265.353 2.269 10 0 CEAERO CC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(O)c(OC)c1 ZINC000087011322 179379509 /nfs/dbraw/zinc/37/95/09/179379509.db2.gz YOZZANNEJWOQIW-QMTHXVAHSA-N 1 0 253.342 2.212 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH2+]CC1(O)CCCC1)CCO2 ZINC000087016064 179379748 /nfs/dbraw/zinc/37/97/48/179379748.db2.gz IRBRNNICRBNNCS-CQSZACIVSA-N 1 0 277.364 2.414 10 0 CEAERO CCC(O)(CC)C[NH2+][C@@H](C)c1c(C)nn(C)c1C ZINC000087014578 179379904 /nfs/dbraw/zinc/37/99/04/179379904.db2.gz NKHRYPOSPOGLMO-JTQLQIEISA-N 1 0 253.390 2.239 10 0 CEAERO COc1ccc([C@@H]2[C@H]([NH3+])CC(=O)N2CC(C)C)cc1F ZINC000086995280 179375915 /nfs/dbraw/zinc/37/59/15/179375915.db2.gz ARWQQVVLXGJVPO-IUODEOHRSA-N 1 0 280.343 2.091 10 0 CEAERO [NH3+]CC1(NC(=O)c2c(F)cc(F)cc2F)CCCC1 ZINC000086998000 179377252 /nfs/dbraw/zinc/37/72/52/179377252.db2.gz SZIQLIMYIGNEJQ-UHFFFAOYSA-N 1 0 272.270 2.105 10 0 CEAERO O=C(c1c(F)cc(F)cc1F)N1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000086997912 179377554 /nfs/dbraw/zinc/37/75/54/179377554.db2.gz VNTFYFIIXKXKPQ-OLZOCXBDSA-N 1 0 298.308 2.461 10 0 CEAERO CC[C@@]1(C)C[NH2+]C[C@H](c2nc3ccccc3n2C)O1 ZINC000087006739 179378517 /nfs/dbraw/zinc/37/85/17/179378517.db2.gz JDDFFPVPCMYOEC-HIFRSBDPSA-N 1 0 259.353 2.403 10 0 CEAERO CC1CCC(O)(C[NH2+]C[C@H](O)c2ccc(F)cc2)CC1 ZINC000087061923 179389306 /nfs/dbraw/zinc/38/93/06/179389306.db2.gz GTVIUXIIGYRUBA-NRAUKZCXSA-N 1 0 281.371 2.390 10 0 CEAERO C[C@H]1C[C@@H]([NH3+])CN(c2nc(Br)cs2)C1 ZINC000087043155 179387533 /nfs/dbraw/zinc/38/75/33/179387533.db2.gz SBISYWWGGKMEJM-NKWVEPMBSA-N 1 0 276.203 2.079 10 0 CEAERO CC[C@@H]1C[NH2+]C[C@@H](c2ccc(OC)c(OC)c2)O1 ZINC000087090248 179394272 /nfs/dbraw/zinc/39/42/72/179394272.db2.gz WXRFZCDNLFVAEM-RISCZKNCSA-N 1 0 251.326 2.143 10 0 CEAERO CCSCc1noc(C2(CC)CC[NH2+]CC2)n1 ZINC000087105246 179394847 /nfs/dbraw/zinc/39/48/47/179394847.db2.gz OXMGKMNVTFHVON-UHFFFAOYSA-N 1 0 255.387 2.354 10 0 CEAERO CC1CCC(O)(C[NH2+]C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000087061926 179389599 /nfs/dbraw/zinc/38/95/99/179389599.db2.gz GTVIUXIIGYRUBA-DSSZZKGTSA-N 1 0 281.371 2.390 10 0 CEAERO CC1(C)CCC(O)(C[NH2+][C@H]2CCCC[C@H]2O)CC1 ZINC000087063657 179389912 /nfs/dbraw/zinc/38/99/12/179389912.db2.gz LSSIPPKSYQRVDZ-QWHCGFSZSA-N 1 0 255.402 2.211 10 0 CEAERO C[C@H]1CCC[C@@](O)(C[NH2+]CC(=O)Nc2ccccc2F)C1 ZINC000087064780 179390255 /nfs/dbraw/zinc/39/02/55/179390255.db2.gz QOOSHCNMEWLPGD-LRDDRELGSA-N 1 0 294.370 2.295 10 0 CEAERO CCC1CCC(O)(C[NH2+]CC(=O)N2CCCCCC2)CC1 ZINC000087066216 179390574 /nfs/dbraw/zinc/39/05/74/179390574.db2.gz UWJPSVFZOSNVNG-UHFFFAOYSA-N 1 0 296.455 2.310 10 0 CEAERO CC(C)[C@@H](CC[NH3+])CCC(=O)NCC1(O)CCC(C)CC1 ZINC000087068243 179390967 /nfs/dbraw/zinc/39/09/67/179390967.db2.gz ZKGWTQSQADYSTN-ISXOHVOVSA-N 1 0 298.471 2.445 10 0 CEAERO CCC1CCC(O)(CNC(=O)CCCCCC[NH3+])CC1 ZINC000087070343 179391346 /nfs/dbraw/zinc/39/13/46/179391346.db2.gz AEMKFDIBCUEGPS-UHFFFAOYSA-N 1 0 284.444 2.343 10 0 CEAERO C[C@H]([NH2+]CC1(O)CCCCCC1)C(=O)NC1CCCCC1 ZINC000087089560 179393380 /nfs/dbraw/zinc/39/33/80/179393380.db2.gz RVRBZDHQOWRZFF-AWEZNQCLSA-N 1 0 296.455 2.499 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)OCc1ccc(Cl)cc1 ZINC000087090933 179393942 /nfs/dbraw/zinc/39/39/42/179393942.db2.gz MIBXVRYWZUISTA-JOYOIKCWSA-N 1 0 253.729 2.239 10 0 CEAERO COc1cccc([C@H]2C[NH2+]CC(C)(C)O2)c1OC ZINC000087090372 179394013 /nfs/dbraw/zinc/39/40/13/179394013.db2.gz SMKJLZRXZOLWCS-GFCCVEGCSA-N 1 0 251.326 2.143 10 0 CEAERO CC[C@H]1C[NH2+]C[C@@H](c2cc(OC)c(OC)cc2OC)O1 ZINC000087090213 179394126 /nfs/dbraw/zinc/39/41/26/179394126.db2.gz ARUPHGAXQKWUSV-BONVTDFDSA-N 1 0 281.352 2.152 10 0 CEAERO C[C@]1(C(=O)OCc2cccc(Cl)c2)CC[NH2+]C1 ZINC000087090511 179394157 /nfs/dbraw/zinc/39/41/57/179394157.db2.gz IZBOFIPIKWIKOP-ZDUSSCGKSA-N 1 0 253.729 2.383 10 0 CEAERO CC(C)CSCc1noc(C[C@H]([NH3+])C(C)C)n1 ZINC000087126238 179396458 /nfs/dbraw/zinc/39/64/58/179396458.db2.gz ZWTKKKWTFPNUSZ-JTQLQIEISA-N 1 0 257.403 2.485 10 0 CEAERO Nc1cc[nH+]cc1C[C@H](O)CSC1CCCC1 ZINC000087143470 179397469 /nfs/dbraw/zinc/39/74/69/179397469.db2.gz QQJVGBPPDFHUEG-NSHDSACASA-N 1 0 252.383 2.243 10 0 CEAERO CCC[NH+]1CCC(O)(Cc2ncc(C)c(OC)c2C)CC1 ZINC000087165817 179398457 /nfs/dbraw/zinc/39/84/57/179398457.db2.gz YNRXOPWSNQQXEF-UHFFFAOYSA-N 1 0 292.423 2.486 10 0 CEAERO C[NH2+]Cc1cc(Br)ccc1O[C@@H](C)[C@H](C)O ZINC000087125415 179396292 /nfs/dbraw/zinc/39/62/92/179396292.db2.gz AGPZQBBECGAYRB-IUCAKERBSA-N 1 0 288.185 2.317 10 0 CEAERO CCOc1ccc([C@@H](C[NH3+])[C@H](O)c2ccco2)cc1 ZINC000087378099 179417196 /nfs/dbraw/zinc/41/71/96/179417196.db2.gz MDAJSQHFSLCCRI-HIFRSBDPSA-N 1 0 261.321 2.454 10 0 CEAERO CC(C)[C@H](C[NH3+])NC(=O)c1ccc(F)cc1Cl ZINC000087403646 179419735 /nfs/dbraw/zinc/41/97/35/179419735.db2.gz PEASJMSCEARKOK-NSHDSACASA-N 1 0 258.724 2.192 10 0 CEAERO C[NH2+]CCC1CCN(C(=O)c2snnc2C(C)C)CC1 ZINC000087443030 179426522 /nfs/dbraw/zinc/42/65/22/179426522.db2.gz WGIGDMDLFOJLMW-UHFFFAOYSA-N 1 0 296.440 2.123 10 0 CEAERO COCC[NH2+]CC1(Cc2ccn(C(C)C)n2)CCC1 ZINC000087412236 179422648 /nfs/dbraw/zinc/42/26/48/179422648.db2.gz WSSRETZXQSLLQA-UHFFFAOYSA-N 1 0 265.401 2.413 10 0 CEAERO Cc1nc(-c2cnn(C)c2)nc(C)c1C[NH2+]CC(C)C ZINC000087426382 179424335 /nfs/dbraw/zinc/42/43/35/179424335.db2.gz BOLFEUQZQIFSGP-UHFFFAOYSA-N 1 0 273.384 2.240 10 0 CEAERO [NH3+]CCCN(c1ncns1)C1CCCCCC1 ZINC000087639550 179460749 /nfs/dbraw/zinc/46/07/49/179460749.db2.gz UKABQYIXFLCQJO-UHFFFAOYSA-N 1 0 254.403 2.416 10 0 CEAERO CCc1nsc(N(C)Cc2cccc(C(N)=[NH2+])c2)n1 ZINC000087640296 179461019 /nfs/dbraw/zinc/46/10/19/179461019.db2.gz UUYSPGCNUGSCAI-UHFFFAOYSA-N 1 0 275.381 2.021 10 0 CEAERO CC(C)C[NH2+]CCN(C)c1nc(C(C)C)ns1 ZINC000087643697 179462878 /nfs/dbraw/zinc/46/28/78/179462878.db2.gz JXUNBSWQPLFTRL-UHFFFAOYSA-N 1 0 256.419 2.343 10 0 CEAERO CC(C)(C)c1nsc(OCC2([NH3+])CCCC2)n1 ZINC000087643617 179463178 /nfs/dbraw/zinc/46/31/78/179463178.db2.gz YGCJTDOATZMSCT-UHFFFAOYSA-N 1 0 255.387 2.486 10 0 CEAERO C[C@@H]1CCC[NH2+][C@H]1C(=O)N1CCCC(C)(C)CC1 ZINC000087658354 179464341 /nfs/dbraw/zinc/46/43/41/179464341.db2.gz YYUWZLJDWXQYNP-CHWSQXEVSA-N 1 0 252.402 2.413 10 0 CEAERO CC(C)(CC[NH3+])CCC(=O)Nc1cccc(CO)c1 ZINC000087693833 179471111 /nfs/dbraw/zinc/47/11/11/179471111.db2.gz QAGVDEWWNOWOQU-UHFFFAOYSA-N 1 0 264.369 2.273 10 0 CEAERO C[C@@H]([NH3+])CCC[C@H](C)C(=O)Nc1ccc(F)c(C(N)=O)c1 ZINC000087693740 179471168 /nfs/dbraw/zinc/47/11/68/179471168.db2.gz UEQQBFUJAMVJQA-VHSXEESVSA-N 1 0 295.358 2.017 10 0 CEAERO C[C@H]([NH3+])CCC[C@H](C)C(=O)N(CCO)Cc1ccccc1 ZINC000087695936 179471485 /nfs/dbraw/zinc/47/14/85/179471485.db2.gz NZOITMSDGNYMSG-GJZGRUSLSA-N 1 0 292.423 2.161 10 0 CEAERO C[C@@H](NC(=O)CCC(C)(C)CC[NH3+])c1nccs1 ZINC000087703711 179473574 /nfs/dbraw/zinc/47/35/74/179473574.db2.gz PAEUOJFJDSRMQZ-SNVBAGLBSA-N 1 0 269.414 2.476 10 0 CEAERO C[NH2+]C[C@H](C)Cc1c(C)nc(N2CCCC2)nc1C ZINC000087707028 179473877 /nfs/dbraw/zinc/47/38/77/179473877.db2.gz ZZCLBXHPXNQNRK-LLVKDONJSA-N 1 0 262.401 2.092 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CN3CCC2CC3)C12CCC2 ZINC000087708801 179474857 /nfs/dbraw/zinc/47/48/57/179474857.db2.gz BSAGOZDEEYWEEI-QLFBSQMISA-N 1 0 264.413 2.018 10 0 CEAERO [NH3+]Cc1ccc(OCC(=O)N2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000087766158 179483241 /nfs/dbraw/zinc/48/32/41/179483241.db2.gz HLGADDIOKKFTIZ-ZBFHGGJFSA-N 1 0 288.391 2.315 10 0 CEAERO [NH3+]C[C@H](Sc1ncns1)c1cccc(F)c1 ZINC000087513996 179437845 /nfs/dbraw/zinc/43/78/45/179437845.db2.gz NEHCWRZCTWPIFD-VIFPVBQESA-N 1 0 255.343 2.469 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)NCc1cccc(OCC)c1 ZINC000087522946 179440187 /nfs/dbraw/zinc/44/01/87/179440187.db2.gz FXCZAFNRAUEUBP-CYBMUJFWSA-N 1 0 264.369 2.077 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)N[C@@H](C)Cc1ccccc1C ZINC000087523464 179440207 /nfs/dbraw/zinc/44/02/07/179440207.db2.gz DJNRXNMBTMTLKY-ZFWWWQNUSA-N 1 0 262.397 2.417 10 0 CEAERO CC(C)[C@@H](C[NH3+])C(=O)N(CC(F)(F)F)[C@@H](C)C1CC1 ZINC000087525322 179440542 /nfs/dbraw/zinc/44/05/42/179440542.db2.gz ONAGKJKVOJRHTP-GXSJLCMTSA-N 1 0 280.334 2.407 10 0 CEAERO COc1ccccc1[C@H](C)N(C)C(=O)[C@H](C[NH3+])C(C)C ZINC000087525704 179440564 /nfs/dbraw/zinc/44/05/64/179440564.db2.gz XOHILPYIDCUDMZ-GXTWGEPZSA-N 1 0 278.396 2.446 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)NCc1ccc(F)c(Cl)c1 ZINC000087533670 179442437 /nfs/dbraw/zinc/44/24/37/179442437.db2.gz QGBHSUMQWRCCLY-VIFPVBQESA-N 1 0 258.724 2.080 10 0 CEAERO CCC[NH2+][C@]1(CC(=O)OC)CCO[C@H](CCC)C1 ZINC000087552538 179445035 /nfs/dbraw/zinc/44/50/35/179445035.db2.gz DLHWQOWRWOLHEP-TZMCWYRMSA-N 1 0 257.374 2.267 10 0 CEAERO CCC[NH2+][C@@](C)(CCO)c1ccc(OC)c(F)c1 ZINC000087563687 179445865 /nfs/dbraw/zinc/44/58/65/179445865.db2.gz JCDWSILZWIVKCZ-AWEZNQCLSA-N 1 0 255.333 2.432 10 0 CEAERO CC[NH2+]C1(CC(=O)OC)C2CC3CC(C2)CC1C3 ZINC000087553557 179445976 /nfs/dbraw/zinc/44/59/76/179445976.db2.gz OFDUSPHMJOFOMX-UHFFFAOYSA-N 1 0 251.370 2.354 10 0 CEAERO C[NH2+]C1(CC(=O)N[C@@]2(CO)CCC[C@H](C)C2)CCCCC1 ZINC000087577743 179449383 /nfs/dbraw/zinc/44/93/83/179449383.db2.gz PFYIXQMRURAANI-YOEHRIQHSA-N 1 0 296.455 2.356 10 0 CEAERO CC(C)(C[NH3+])CCn1cc(C(F)(F)F)ccc1=O ZINC000087590899 179450783 /nfs/dbraw/zinc/45/07/83/179450783.db2.gz JRENHXGRCDLFEA-UHFFFAOYSA-N 1 0 262.275 2.242 10 0 CEAERO CC[N@@H+]1CCOC[C@@H](c2ccc3ccnnc3c2)C1 ZINC000616660460 348551646 /nfs/dbraw/zinc/55/16/46/348551646.db2.gz IOPPLWFRCPAWGT-AWEZNQCLSA-N 1 0 257.337 2.066 10 0 CEAERO CCOC(=O)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000616636289 348542071 /nfs/dbraw/zinc/54/20/71/348542071.db2.gz HWKTZYUNHIXSDR-GFCCVEGCSA-N 1 0 268.744 2.443 10 0 CEAERO c1ccc(CN2CCO[C@H](c3ccnnc3)C2)cc1 ZINC000616642882 348544807 /nfs/dbraw/zinc/54/48/07/348544807.db2.gz MMZGKEKELMQDTO-HNNXBMFYSA-N 1 0 255.321 2.050 10 0 CEAERO c1ccc(CN2CCO[C@H](c3ccncn3)C2)cc1 ZINC000616643122 348544833 /nfs/dbraw/zinc/54/48/33/348544833.db2.gz VKIURNBBKOAAKI-HNNXBMFYSA-N 1 0 255.321 2.050 10 0 CEAERO CC(C)[N@@H+]1CCCOC[C@@H]1CCNC(=O)OC(C)(C)C ZINC000616647367 348546129 /nfs/dbraw/zinc/54/61/29/348546129.db2.gz ZEUXUFHBNZJGOM-ZDUSSCGKSA-N 1 0 286.416 2.401 10 0 CEAERO CC(C)[N@@H+]1CCCOC[C@H]1CCNC(=O)OC(C)(C)C ZINC000616650178 348547962 /nfs/dbraw/zinc/54/79/62/348547962.db2.gz ZEUXUFHBNZJGOM-CYBMUJFWSA-N 1 0 286.416 2.401 10 0 CEAERO CC(C)(C)[N@@H+]1CCCO[C@H](c2cccc(C(N)=O)c2)C1 ZINC000616650094 348548034 /nfs/dbraw/zinc/54/80/34/348548034.db2.gz SUKYKEYHYGKHAG-AWEZNQCLSA-N 1 0 276.380 2.347 10 0 CEAERO CCOc1ccccc1[C@H](C[NH3+])NCC(F)(F)F ZINC000087929478 179524645 /nfs/dbraw/zinc/52/46/45/179524645.db2.gz SLXRGCNIPIAGBZ-JTQLQIEISA-N 1 0 262.275 2.237 10 0 CEAERO [NH3+]C[C@]1(Cc2ccn(C3CCCC3)n2)CCC[C@@H]1O ZINC000087931949 179526229 /nfs/dbraw/zinc/52/62/29/179526229.db2.gz USTRDXHBURUKFV-LSDHHAIUSA-N 1 0 263.385 2.031 10 0 CEAERO [NH3+]C[C@@]1(Cc2cc(F)ccc2F)CCCC[C@@H]1O ZINC000087931680 179526393 /nfs/dbraw/zinc/52/63/93/179526393.db2.gz JZEBWXKUYBYSDP-KBPBESRZSA-N 1 0 255.308 2.387 10 0 CEAERO CCC[C@@]1(c2nc([C@@H]3CCCOC3)no2)CCC[NH2+]C1 ZINC000087813737 179490968 /nfs/dbraw/zinc/49/09/68/179490968.db2.gz LUASXUMJZLFNKS-IUODEOHRSA-N 1 0 279.384 2.385 10 0 CEAERO C[NH2+]C1CCC(c2nc([C@H]3CCCOC3)no2)CC1 ZINC000087815852 179491905 /nfs/dbraw/zinc/49/19/05/179491905.db2.gz BILYXBJHXOOQGZ-CXQJBGSLSA-N 1 0 265.357 2.209 10 0 CEAERO CC(C)(C)[NH2+]CCc1nnc2ccc(Br)cn21 ZINC000087846812 179499711 /nfs/dbraw/zinc/49/97/11/179499711.db2.gz FDSTYRCKDSUEBS-UHFFFAOYSA-N 1 0 297.200 2.422 10 0 CEAERO CC[NH2+][C@H](Cc1ccn(C(CC)CC)n1)[C@H]1COCCO1 ZINC000087858057 179503071 /nfs/dbraw/zinc/50/30/71/179503071.db2.gz LSQRFMSXSWTHMK-HZPDHXFCSA-N 1 0 295.427 2.180 10 0 CEAERO O=C(N[C@H]1C[NH2+]CC[C@@H]1c1ccccc1)C1CCCC1 ZINC000616572939 348524175 /nfs/dbraw/zinc/52/41/75/348524175.db2.gz XSMUXKQBISNJNT-CVEARBPZSA-N 1 0 272.392 2.439 10 0 CEAERO Cc1c(Nc2cccc(F)c2F)nc[nH+]c1NN ZINC000087863788 179505132 /nfs/dbraw/zinc/50/51/32/179505132.db2.gz HGUMDLTVGWLTOC-UHFFFAOYSA-N 1 0 251.240 2.092 10 0 CEAERO Cc1nc(N(CC(C)C)CC(C)C)cc(NN)[nH+]1 ZINC000087864006 179505263 /nfs/dbraw/zinc/50/52/63/179505263.db2.gz BZTSBCJGOFHGEU-UHFFFAOYSA-N 1 0 251.378 2.189 10 0 CEAERO CSc1nc(N[C@@H](C)CC2CC2)cc(NN)[nH+]1 ZINC000087878841 179507655 /nfs/dbraw/zinc/50/76/55/179507655.db2.gz UVXYZLHYQJHAQZ-ZETCQYMHSA-N 1 0 253.375 2.085 10 0 CEAERO Cc1csc([C@@H](C)Nc2cc(NN)[nH+]c(C)n2)n1 ZINC000087881454 179509492 /nfs/dbraw/zinc/50/94/92/179509492.db2.gz KDPMCEZQNSYOLV-SSDOTTSWSA-N 1 0 264.358 2.009 10 0 CEAERO CC(=O)Nc1cccc([C@H]2CCCC[N@H+](CCO)C2)c1 ZINC000616605391 348532495 /nfs/dbraw/zinc/53/24/95/348532495.db2.gz ZZNFDSGDJIOEJO-HNNXBMFYSA-N 1 0 276.380 2.207 10 0 CEAERO CCOC(=O)c1cccc([C@H]2CCCC[N@@H+]2CCO)c1 ZINC000616613917 348534111 /nfs/dbraw/zinc/53/41/11/348534111.db2.gz DWGRAUYAJHPINS-OAHLLOKOSA-N 1 0 277.364 2.383 10 0 CEAERO CCOC(=O)c1ccccc1[C@H]1CCC[N@H+](CCO)C1 ZINC000616618434 348535674 /nfs/dbraw/zinc/53/56/74/348535674.db2.gz VBQSUVUPFFTIKH-ZDUSSCGKSA-N 1 0 277.364 2.035 10 0 CEAERO OCC[N@@H+]1CCC[C@H](c2cnc3ccccc3c2)C1 ZINC000616618529 348535777 /nfs/dbraw/zinc/53/57/77/348535777.db2.gz YRYZJLJIQWFYFV-AWEZNQCLSA-N 1 0 256.349 2.407 10 0 CEAERO CCOC(=O)c1cccc(C2CC[NH+](CCO)CC2)c1 ZINC000616619367 348536391 /nfs/dbraw/zinc/53/63/91/348536391.db2.gz IOWNEYORUHVTRO-UHFFFAOYSA-N 1 0 277.364 2.035 10 0 CEAERO [NH3+]CCc1csc([C@H]2COc3ccccc3C2)n1 ZINC000088040997 179538324 /nfs/dbraw/zinc/53/83/24/179538324.db2.gz LFEDLZMUFIDXPI-LLVKDONJSA-N 1 0 260.362 2.363 10 0 CEAERO C[C@@H]1CCC[C@@]([NH3+])([C@@H]2CS(=O)(=O)c3ccccc32)C1 ZINC000088044184 179539059 /nfs/dbraw/zinc/53/90/59/179539059.db2.gz JBFSTMWKGOHZEY-KYOSRNDESA-N 1 0 279.405 2.465 10 0 CEAERO Cc1ncc(C[C@@]2([NH3+])COc3ccccc3C2)s1 ZINC000088044443 179539070 /nfs/dbraw/zinc/53/90/70/179539070.db2.gz JLEIYXVALPGZOI-CQSZACIVSA-N 1 0 260.362 2.327 10 0 CEAERO CCOC1CCN(C(=O)C[C@H](C[NH3+])CC(C)C)CC1 ZINC000088277906 179574445 /nfs/dbraw/zinc/57/44/45/179574445.db2.gz XVGJELSNLBLSPX-CYBMUJFWSA-N 1 0 270.417 2.025 10 0 CEAERO COc1cccc(F)c1[C@@H]([NH3+])c1ccc2[nH]c(=O)oc2c1 ZINC000088080139 179545335 /nfs/dbraw/zinc/54/53/35/179545335.db2.gz BUXXGTUHUQFXRO-AWEZNQCLSA-N 1 0 288.278 2.317 10 0 CEAERO CSc1ccccc1NC(=O)CN1CC[NH2+]CC1(C)C ZINC000088146994 179556242 /nfs/dbraw/zinc/55/62/42/179556242.db2.gz IOPLCIQYSNUVMG-UHFFFAOYSA-N 1 0 293.436 2.031 10 0 CEAERO CC[NH2+][C@H]1CCCc2c(O[C@H](C)C(=O)NC)cccc21 ZINC000088151951 179557997 /nfs/dbraw/zinc/55/79/97/179557997.db2.gz LIVSLNWCMFQAMZ-RISCZKNCSA-N 1 0 276.380 2.187 10 0 CEAERO CC(C)[N@@H+]1CCOC[C@@H](c2cnnc3ccccc32)C1 ZINC000616661860 348552642 /nfs/dbraw/zinc/55/26/42/348552642.db2.gz ZKPRVIHRUWDGFG-ZDUSSCGKSA-N 1 0 271.364 2.454 10 0 CEAERO CCOc1cc2c(cc1C[NH2+]C[C@H](C)CO)O[C@H](C)C2 ZINC000088195700 179563865 /nfs/dbraw/zinc/56/38/65/179563865.db2.gz IJHNJWRCSRMMTL-NWDGAFQWSA-N 1 0 279.380 2.127 10 0 CEAERO CC(C)C[C@@H](C[NH3+])CC(=O)N(C)CCc1ccccn1 ZINC000088275976 179574112 /nfs/dbraw/zinc/57/41/12/179574112.db2.gz FPEKXTZYPIIBIP-CQSZACIVSA-N 1 0 277.412 2.094 10 0 CEAERO Cc1noc(NC(=O)[C@@H](C)CCC[C@H](C)[NH3+])c1C ZINC000088245563 179570135 /nfs/dbraw/zinc/57/01/35/179570135.db2.gz GLVAEXFYLKSEKM-IUCAKERBSA-N 1 0 253.346 2.384 10 0 CEAERO CC[C@@H]1CCC[C@@H](c2noc(CN3CC[NH2+]CC3)n2)C1 ZINC000087970243 179529994 /nfs/dbraw/zinc/52/99/94/179529994.db2.gz DTDZCXVENXSLCX-CHWSQXEVSA-N 1 0 278.400 2.159 10 0 CEAERO Cc1ccccc1CN(C)C(=O)[C@H]1C[NH2+]C[C@H](C)C1 ZINC000088450113 179606098 /nfs/dbraw/zinc/60/60/98/179606098.db2.gz PIRPPAIZOUIUAY-IUODEOHRSA-N 1 0 260.381 2.199 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)NCC(C1CC1)C1CC1 ZINC000088457190 179608007 /nfs/dbraw/zinc/60/80/07/179608007.db2.gz PJTUPGINAVGFTE-TZMCWYRMSA-N 1 0 250.386 2.056 10 0 CEAERO CCN(c1cccc2ccccc21)S(=O)(=O)[C@H](C)C[NH3+] ZINC000088471826 179610216 /nfs/dbraw/zinc/61/02/16/179610216.db2.gz MFXJXGJRXUGULH-GFCCVEGCSA-N 1 0 292.404 2.343 10 0 CEAERO CC[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC(F)(F)F ZINC000088298085 179576504 /nfs/dbraw/zinc/57/65/04/179576504.db2.gz ATSSMJCPPSYOPV-BDAKNGLRSA-N 1 0 254.296 2.079 10 0 CEAERO CC(C)Cn1ncnc1C[C@@H]1CCCCC[C@H]1[NH3+] ZINC000088597896 179633330 /nfs/dbraw/zinc/63/33/30/179633330.db2.gz IFKWTLAOJOEYFO-QWHCGFSZSA-N 1 0 250.390 2.384 10 0 CEAERO COc1ccc(-c2noc([C@@H]3C[NH2+]C[C@H]3C)n2)cc1 ZINC000104206156 185930809 /nfs/dbraw/zinc/93/08/09/185930809.db2.gz JBOWJSSBNAMVNG-BXKDBHETSA-N 1 0 259.309 2.068 10 0 CEAERO C[NH2+][C@@H](Cc1ncnn1CC(C)C)[C@@H]1Cc2ccccc21 ZINC000088612639 179639186 /nfs/dbraw/zinc/63/91/86/179639186.db2.gz URIDTYUQBFUBRA-CVEARBPZSA-N 1 0 284.407 2.405 10 0 CEAERO CCn1ncnc1C[C@H](Cc1ccc(C)c(C)c1)[NH2+]C ZINC000088611974 179639286 /nfs/dbraw/zinc/63/92/86/179639286.db2.gz VCMNRMXPDHIUIS-HNNXBMFYSA-N 1 0 272.396 2.288 10 0 CEAERO CCCn1ncnc1C[C@H](C[NH3+])Cc1ccccc1F ZINC000088620080 179640288 /nfs/dbraw/zinc/64/02/88/179640288.db2.gz JFAAFLKOLWQUFC-GFCCVEGCSA-N 1 0 276.359 2.187 10 0 CEAERO CCn1ncnc1CN1CC2(CCCCC2)[NH2+]CC[C@@H]1C ZINC000088625936 179642884 /nfs/dbraw/zinc/64/28/84/179642884.db2.gz WSMGVULODUMPFD-AWEZNQCLSA-N 1 0 291.443 2.185 10 0 CEAERO Nc1c2ccccc2sc1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000088638259 179645717 /nfs/dbraw/zinc/64/57/17/179645717.db2.gz DWRXPOISOUBJAH-VIFPVBQESA-N 1 0 275.377 2.047 10 0 CEAERO CCCCCC[C@H](C)N1CC[NH2+]C[C@@H]1C(=O)OCC ZINC000088658087 179648815 /nfs/dbraw/zinc/64/88/15/179648815.db2.gz YBLFHLQVOUYOOH-UONOGXRCSA-N 1 0 270.417 2.182 10 0 CEAERO CCN(Cc1ccncc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000088782515 179671922 /nfs/dbraw/zinc/67/19/22/179671922.db2.gz XLNSTZHEMPXLRT-GFCCVEGCSA-N 1 0 253.777 2.309 10 0 CEAERO CCN([C@@](C)(CC)C[NH3+])S(=O)(=O)c1ccccc1C ZINC000088714888 179656913 /nfs/dbraw/zinc/65/69/13/179656913.db2.gz HRXDXAGLEHTVCS-AWEZNQCLSA-N 1 0 284.425 2.133 10 0 CEAERO CCc1nc(CC)n([C@H](c2ccccn2)[C@@H]([NH3+])CC)n1 ZINC000088740143 179662177 /nfs/dbraw/zinc/66/21/77/179662177.db2.gz FPUQKMJHMJMNGV-NHYWBVRUSA-N 1 0 273.384 2.125 10 0 CEAERO CC(C)CN(C(C)C)S(=O)(=O)[C@@H](C)C[NH2+]C(C)C ZINC000089005402 179691119 /nfs/dbraw/zinc/69/11/19/179691119.db2.gz XIGRRKVPHABMKH-ZDUSSCGKSA-N 1 0 278.462 2.069 10 0 CEAERO CC[NH2+]CCCS(=O)(=O)N(C)c1cc(C)cc(C)c1 ZINC000089015020 179691698 /nfs/dbraw/zinc/69/16/98/179691698.db2.gz KBNDFEJITCAKEW-UHFFFAOYSA-N 1 0 284.425 2.069 10 0 CEAERO CC[NH2+]CCCCS(=O)(=O)N(C)c1ccc(C)cc1 ZINC000089021125 179691774 /nfs/dbraw/zinc/69/17/74/179691774.db2.gz XUIYMMXJLACVGI-UHFFFAOYSA-N 1 0 284.425 2.151 10 0 CEAERO CCOCCc1nnc(CCC[NH2+]CC(C)C)s1 ZINC000088813171 179676911 /nfs/dbraw/zinc/67/69/11/179676911.db2.gz JTQHZTNXGWVJON-UHFFFAOYSA-N 1 0 271.430 2.295 10 0 CEAERO CC(C)C[NH2+]CCc1nnc(-c2ccncc2)s1 ZINC000088824061 179678387 /nfs/dbraw/zinc/67/83/87/179678387.db2.gz XJBSTXQHBMKAIX-UHFFFAOYSA-N 1 0 262.382 2.388 10 0 CEAERO CCCn1c2ccncc2nc1[C@@]1(CC)CC[NH2+]C1 ZINC000088865064 179685096 /nfs/dbraw/zinc/68/50/96/179685096.db2.gz RSPJWYYLMLBGQS-HNNXBMFYSA-N 1 0 258.369 2.482 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@@H](C(C)C)CN1CCOC(F)(F)F ZINC000089056953 179695151 /nfs/dbraw/zinc/69/51/51/179695151.db2.gz MDCRGGLCSCTXHO-NEPJUHHUSA-N 1 0 282.350 2.477 10 0 CEAERO CCCS(=O)(=O)c1ccc(N[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089092413 179699371 /nfs/dbraw/zinc/69/93/71/179699371.db2.gz VSYSSZKWWHVPBB-WFASDCNBSA-N 1 0 296.436 2.410 10 0 CEAERO CC[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)C1CCCCC1 ZINC000233886933 539684580 /nfs/dbraw/zinc/68/45/80/539684580.db2.gz IFWZYRVZEKOSAE-MRVWCRGKSA-N 1 0 252.402 2.317 10 0 CEAERO CN(C(=O)c1ccccc1OC(F)F)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089109907 179705341 /nfs/dbraw/zinc/70/53/41/179705341.db2.gz WMEPOQPDISNVAL-PWSUYJOCSA-N 1 0 298.333 2.487 10 0 CEAERO CC[C@H](C)CNS(=O)(=O)c1cc(C[NH2+]C)c(C)cc1C ZINC000089026035 179692929 /nfs/dbraw/zinc/69/29/29/179692929.db2.gz UZIVYQVDOFQYIA-NSHDSACASA-N 1 0 298.452 2.347 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1cccc2cc[nH]c21 ZINC000089091036 539688793 /nfs/dbraw/zinc/68/87/93/539688793.db2.gz GZJWFPANSQJRCT-YPMHNXCESA-N 1 0 257.337 2.025 10 0 CEAERO CCN(C(=O)c1ccc(C)c(O)c1)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089113834 179708068 /nfs/dbraw/zinc/70/80/68/179708068.db2.gz SRWBFSIHYIBPRJ-UONOGXRCSA-N 1 0 276.380 2.290 10 0 CEAERO CCN(C(=O)c1ccc(F)cc1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089114488 179708986 /nfs/dbraw/zinc/70/89/86/179708986.db2.gz OYEZOCWNZYJXHN-TZMCWYRMSA-N 1 0 264.344 2.415 10 0 CEAERO CCN([C@@H]1CCC[C@@H]1C[NH3+])S(=O)(=O)C1CCCCC1 ZINC000089115296 179709116 /nfs/dbraw/zinc/70/91/16/179709116.db2.gz JMJBCXXSJLNNQL-TZMCWYRMSA-N 1 0 288.457 2.098 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1Nc1cc(Cl)ccc1-n1cncn1 ZINC000089148444 179724229 /nfs/dbraw/zinc/72/42/29/179724229.db2.gz ARQKNQUWVNLJSV-ZYHUDNBSSA-N 1 0 291.786 2.460 10 0 CEAERO [NH3+]C[C@@]1(CN2CCCc3ccccc32)CCCOC1 ZINC000104303955 185960427 /nfs/dbraw/zinc/96/04/27/185960427.db2.gz HLPUEHOOPJWFRR-MRXNPFEDSA-N 1 0 260.381 2.195 10 0 CEAERO CCc1cc(CN(CCC[NH3+])c2ccccc2)n(C)n1 ZINC000089181609 179745460 /nfs/dbraw/zinc/74/54/60/179745460.db2.gz DKJMPDIJVQPQJX-UHFFFAOYSA-N 1 0 272.396 2.338 10 0 CEAERO COCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400478437 233179542 /nfs/dbraw/zinc/17/95/42/233179542.db2.gz VPTSWONLJAQWQY-STQMWFEESA-N 1 0 286.416 2.258 10 0 CEAERO CCn1nc(C)cc1CC1(C[NH3+])Cc2ccccc2C1 ZINC000089230935 179759053 /nfs/dbraw/zinc/75/90/53/179759053.db2.gz SMCTVGCIUFQJAI-UHFFFAOYSA-N 1 0 269.392 2.498 10 0 CEAERO C[C@H]1C[C@@H](O)C[N@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000401490734 233182827 /nfs/dbraw/zinc/18/28/27/233182827.db2.gz GORJLOQBMVMHRR-SMDDNHRTSA-N 1 0 296.798 2.371 10 0 CEAERO CCc1cc(C[C@@H]([NH3+])[C@H]2COc3ccccc3C2)n(C)n1 ZINC000089200787 179752486 /nfs/dbraw/zinc/75/24/86/179752486.db2.gz SOFFRAXHSYXSMN-CZUORRHYSA-N 1 0 285.391 2.104 10 0 CEAERO COc1ccc(CN(C)C(=O)[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089455123 539717143 /nfs/dbraw/zinc/71/71/43/539717143.db2.gz RRSHUTGXIWADCK-DZGCQCFKSA-N 1 0 276.380 2.029 10 0 CEAERO CC[C@@H]1C[NH2+][C@@](C)(CC)CN1Cc1cc(C)nn1C ZINC000089210405 179754951 /nfs/dbraw/zinc/75/49/51/179754951.db2.gz BHMKPLLQIDSFPB-HIFRSBDPSA-N 1 0 264.417 2.081 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](CC(C)C)CN1Cc1cc(C)nn1C ZINC000089210098 179755178 /nfs/dbraw/zinc/75/51/78/179755178.db2.gz VDKMDVOIOJMRPN-HUUCEWRRSA-N 1 0 278.444 2.327 10 0 CEAERO Cc1cc(CN2C[C@H](C3CCCCC3)[NH2+]C[C@@H]2C)n(C)n1 ZINC000089211193 179755856 /nfs/dbraw/zinc/75/58/56/179755856.db2.gz OXXRZJLOFQGYDR-WMLDXEAASA-N 1 0 290.455 2.471 10 0 CEAERO Cc1c(F)cccc1NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089460846 539718846 /nfs/dbraw/zinc/71/88/46/539718846.db2.gz BPIMMUOBLAASLE-WDEREUQCSA-N 1 0 250.317 2.448 10 0 CEAERO CCn1nc(C)c(Cl)c1CN1CC[NH2+]C[C@]1(C)CC ZINC000089304633 179767521 /nfs/dbraw/zinc/76/75/21/179767521.db2.gz MIYCJPIAIKVNTN-AWEZNQCLSA-N 1 0 284.835 2.439 10 0 CEAERO CCn1nc(C)c(Cl)c1C[C@@](C)([NH3+])CCOC ZINC000089292269 179765890 /nfs/dbraw/zinc/76/58/90/179765890.db2.gz LTEQVENREHBTTP-LBPRGKRZSA-N 1 0 259.781 2.161 10 0 CEAERO Cc1ccc(CN(C)C(=O)[C@H]2CCCC[C@@H]2C[NH3+])o1 ZINC000089387818 179778117 /nfs/dbraw/zinc/77/81/17/179778117.db2.gz GTTMKTQDGGKWCP-OCCSQVGLSA-N 1 0 264.369 2.312 10 0 CEAERO CN(CCOc1ccccc1)C(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000089390775 179778607 /nfs/dbraw/zinc/77/86/07/179778607.db2.gz NVZSOEKOPNRXGQ-HOCLYGCPSA-N 1 0 290.407 2.289 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCCc2ccccc2C1 ZINC000089462194 179796676 /nfs/dbraw/zinc/79/66/76/179796676.db2.gz NVNKMDVBIDAVFE-GOEBONIOSA-N 1 0 272.392 2.336 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC000250265639 539726839 /nfs/dbraw/zinc/72/68/39/539726839.db2.gz KKUFOGLBHVKVBB-UONOGXRCSA-N 1 0 254.418 2.266 10 0 CEAERO Cc1ccc(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1F ZINC000089450549 179792221 /nfs/dbraw/zinc/79/22/21/179792221.db2.gz IOHADSYCEHTKLI-CHWSQXEVSA-N 1 0 264.344 2.125 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCCc1c[nH]c2ccccc12 ZINC000089459977 179795465 /nfs/dbraw/zinc/79/54/65/179795465.db2.gz YTMCQRPTNQEHQQ-DOMZBBRYSA-N 1 0 285.391 2.202 10 0 CEAERO C[C@@H](NC(=O)[C@H]1CCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000089461598 179795766 /nfs/dbraw/zinc/79/57/66/179795766.db2.gz FXKIWXMQCKTFJA-BNOWGMLFSA-N 1 0 252.402 2.446 10 0 CEAERO CCC[C@H](CC[NH3+])CCC(=O)NC[C@@H]1CCCC[C@@H]1CO ZINC000089534308 179811791 /nfs/dbraw/zinc/81/17/91/179811791.db2.gz SHUJJRXMRBVLQE-HRCADAONSA-N 1 0 298.471 2.447 10 0 CEAERO CC(C)c1nc(COC[C@@H]2CCC[C@@H]2C[NH3+])no1 ZINC000089536310 179812430 /nfs/dbraw/zinc/81/24/30/179812430.db2.gz VFOHXCXLLYCEDE-MNOVXSKESA-N 1 0 253.346 2.085 10 0 CEAERO COc1ccccc1NC(=O)NC[C@H]1CCC[C@@H]1C[NH3+] ZINC000089500867 179805434 /nfs/dbraw/zinc/80/54/34/179805434.db2.gz FCQRHNYCCOZPRK-VXGBXAGGSA-N 1 0 277.368 2.192 10 0 CEAERO Cc1noc(C)c1C[NH2+]C[C@@H]1CCCC[C@@H]1CO ZINC000089505272 179806662 /nfs/dbraw/zinc/80/66/62/179806662.db2.gz IGZWRSZKDDYQAY-QWHCGFSZSA-N 1 0 252.358 2.180 10 0 CEAERO Cc1ccc(CC(=O)NC[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000089530807 179810363 /nfs/dbraw/zinc/81/03/63/179810363.db2.gz TYKYETCVSOMQCI-HZPDHXFCSA-N 1 0 274.408 2.419 10 0 CEAERO CCc1ccc([C@@H](C)NC(=O)C[C@@H]2CC[NH2+]C2)cc1 ZINC000089741975 539730566 /nfs/dbraw/zinc/73/05/66/539730566.db2.gz VNZITFXSWJSNQI-OCCSQVGLSA-N 1 0 260.381 2.426 10 0 CEAERO CSc1ccc(Cl)c(C(=O)N(C)C2C[NH2+]C2)c1 ZINC000090289744 179950002 /nfs/dbraw/zinc/95/00/02/179950002.db2.gz FCFXLJWEPKDPQK-UHFFFAOYSA-N 1 0 270.785 2.106 10 0 CEAERO CCCN(CC(=O)Nc1c(C)cc(C)cc1C)C1C[NH2+]C1 ZINC000090293751 179952006 /nfs/dbraw/zinc/95/20/06/179952006.db2.gz XXEWMONCCQJCRQ-UHFFFAOYSA-N 1 0 289.423 2.234 10 0 CEAERO COCC[NH2+]Cc1cncn1[C@H]1C[C@H]1c1ccccc1 ZINC000090241784 179939211 /nfs/dbraw/zinc/93/92/11/179939211.db2.gz SCYRZCLMPDWXKG-HOTGVXAUSA-N 1 0 271.364 2.348 10 0 CEAERO COC(OC)[C@](C)(C[NH3+])N(Cc1cccs1)C1CC1 ZINC000090266486 179942771 /nfs/dbraw/zinc/94/27/71/179942771.db2.gz JBFFEJFRFFEULT-AWEZNQCLSA-N 1 0 284.425 2.049 10 0 CEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C(=O)c1cc(C)ccc1C ZINC000090330520 179962436 /nfs/dbraw/zinc/96/24/36/179962436.db2.gz RSJMDJCJPQCSEJ-VNQPRFMTSA-N 1 0 272.392 2.373 10 0 CEAERO Cc1ccc(C(=O)N2C[C@H]3C[NH2+]C[C@@H]3C2(C)C)c(C)c1 ZINC000090335796 179965294 /nfs/dbraw/zinc/96/52/94/179965294.db2.gz DILQSZCFOHALNB-HIFRSBDPSA-N 1 0 272.392 2.373 10 0 CEAERO Cc1ccc(CCC(=O)N2C[C@H]3C[NH2+]C[C@@H]3C2(C)C)cc1 ZINC000090336400 179965311 /nfs/dbraw/zinc/96/53/11/179965311.db2.gz QZYILFDYSRGLFD-CVEARBPZSA-N 1 0 286.419 2.384 10 0 CEAERO CCOc1ccc(NC(=O)CSCC[C@H](C)[NH3+])cc1 ZINC000090346721 179970826 /nfs/dbraw/zinc/97/08/26/179970826.db2.gz RFOBHNUBKAIEOK-NSHDSACASA-N 1 0 282.409 2.494 10 0 CEAERO C[C@@H](CC[NH3+])SCC(=O)Nc1ccc(F)c(F)c1 ZINC000090355018 179974393 /nfs/dbraw/zinc/97/43/93/179974393.db2.gz ZDQMXTUOSADRSU-QMMMGPOBSA-N 1 0 274.336 2.374 10 0 CEAERO C[C@H](CC[NH3+])SCC(=O)N(C)Cc1cccs1 ZINC000090355067 179974455 /nfs/dbraw/zinc/97/44/55/179974455.db2.gz AHGIMZNSVNAHRG-SNVBAGLBSA-N 1 0 272.439 2.177 10 0 CEAERO C[C@@H](CC[NH3+])SCc1nc(-c2ccco2)no1 ZINC000090355076 179974487 /nfs/dbraw/zinc/97/44/87/179974487.db2.gz MCCDPDKDVKMSLK-QMMMGPOBSA-N 1 0 253.327 2.300 10 0 CEAERO CC[C@H]([NH3+])CSCC(=O)NCc1ccc(C)cc1 ZINC000090357018 179975670 /nfs/dbraw/zinc/97/56/70/179975670.db2.gz KCKLOLLVXBEPRQ-ZDUSSCGKSA-N 1 0 266.410 2.082 10 0 CEAERO C[C@@H]1Cc2ccccc2N1C(=O)CSCC(C)(C)[NH3+] ZINC000090358233 179976528 /nfs/dbraw/zinc/97/65/28/179976528.db2.gz HWZRHPHYVFQSDA-LLVKDONJSA-N 1 0 278.421 2.435 10 0 CEAERO O[C@H]1COCC[C@H]1[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623768396 350107838 /nfs/dbraw/zinc/10/78/38/350107838.db2.gz UZEPJWYYPBKCMU-BDAKNGLRSA-N 1 0 281.299 2.006 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc2c(c1)CCC2 ZINC000090538708 180000553 /nfs/dbraw/zinc/00/05/53/180000553.db2.gz RNSGTJHLOVKOGZ-CVEARBPZSA-N 1 0 288.391 2.128 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)N1CCC[C@@H]1C1CCCC1 ZINC000090544290 180001017 /nfs/dbraw/zinc/00/10/17/180001017.db2.gz BQTUDCDFTXBRSC-BZUAXINKSA-N 1 0 294.439 2.182 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N(CCC(C)C)C1CC1 ZINC000090541814 180001145 /nfs/dbraw/zinc/00/11/45/180001145.db2.gz DKYKROSROGLQIY-LSDHHAIUSA-N 1 0 282.428 2.038 10 0 CEAERO O=C(CSCC1C[NH2+]C1)Nc1ccc(F)c(Cl)c1 ZINC000090712221 180028708 /nfs/dbraw/zinc/02/87/08/180028708.db2.gz RAKBJVHDEUBBAX-UHFFFAOYSA-N 1 0 288.775 2.370 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1CN(C)Cc1cccc(OC)c1 ZINC000090566334 180005524 /nfs/dbraw/zinc/00/55/24/180005524.db2.gz TUTOQDSEZLGBFF-NVXWUHKLSA-N 1 0 292.423 2.142 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1CN(C)c1ccccc1F ZINC000090566728 180006351 /nfs/dbraw/zinc/00/63/51/180006351.db2.gz RDQGYPMYMJGESY-TZMCWYRMSA-N 1 0 266.360 2.277 10 0 CEAERO CCCn1c2cc(F)ccc2nc1[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090571857 180007301 /nfs/dbraw/zinc/00/73/01/180007301.db2.gz ILEGBBBFMFTFAB-ZFWWWQNUSA-N 1 0 277.343 2.201 10 0 CEAERO CC(C)n1c2cc(F)ccc2nc1[C@@]1(C)COC[C@H]1[NH3+] ZINC000090571863 180007473 /nfs/dbraw/zinc/00/74/73/180007473.db2.gz WDIYZMDNAZXBJQ-HIFRSBDPSA-N 1 0 277.343 2.372 10 0 CEAERO CCCn1c2cccc(F)c2nc1[C@@]1(C)COC[C@H]1[NH3+] ZINC000090571791 180007970 /nfs/dbraw/zinc/00/79/70/180007970.db2.gz KQODIANIGUJUGY-DOMZBBRYSA-N 1 0 277.343 2.201 10 0 CEAERO C[C@H]1C[C@H]([NH3+])CC[C@@H]1C(=O)NCC1(C)CCCC1 ZINC000104438848 186002297 /nfs/dbraw/zinc/00/22/97/186002297.db2.gz DSBJPQRDLPKPFP-XQQFMLRXSA-N 1 0 252.402 2.446 10 0 CEAERO C[C@H](Oc1nc2c(cc1C[NH3+])CCC2)C(F)(F)F ZINC000090671286 180020841 /nfs/dbraw/zinc/02/08/41/180020841.db2.gz BAWWVXKFVCOITH-ZETCQYMHSA-N 1 0 260.259 2.359 10 0 CEAERO C[C@@H](OC[C@H]([NH3+])c1ccc2c(c1)OCCO2)C(F)(F)F ZINC000090672429 180021042 /nfs/dbraw/zinc/02/10/42/180021042.db2.gz PPDUFXGVSMPBBQ-SCZZXKLOSA-N 1 0 291.269 2.425 10 0 CEAERO C[C@H](O[C@@H](C)C(F)(F)F)C(=O)Nc1cccc(C[NH3+])c1 ZINC000090671956 180021118 /nfs/dbraw/zinc/02/11/18/180021118.db2.gz CNNUYODNEGPQOK-IUCAKERBSA-N 1 0 290.285 2.440 10 0 CEAERO C[C@@H](OCC(=O)Nc1ccccc1C[NH3+])C(F)(F)F ZINC000090671975 180021125 /nfs/dbraw/zinc/02/11/25/180021125.db2.gz KUCDFLRIVGLKEH-MRVPVSSYSA-N 1 0 276.258 2.051 10 0 CEAERO CC[NH2+][C@@H]1CCC2(C[C@@H]1O[C@@H](C)C(F)(F)F)OCCO2 ZINC000090672300 180021142 /nfs/dbraw/zinc/02/11/42/180021142.db2.gz OOMFJHPFDTUMPG-AXFHLTTASA-N 1 0 297.317 2.228 10 0 CEAERO Nc1nsc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000090693112 180025208 /nfs/dbraw/zinc/02/52/08/180025208.db2.gz YEYGHQOBTAIPJC-LBPRGKRZSA-N 1 0 289.408 2.197 10 0 CEAERO C[C@H]1CC[NH2+]C[C@@H]1N1CCC(C(F)(F)F)CC1 ZINC000090695702 180025820 /nfs/dbraw/zinc/02/58/20/180025820.db2.gz HRIQQSVDTSLNPG-ONGXEEELSA-N 1 0 250.308 2.259 10 0 CEAERO C[C@@H]1CC[NH2+]C[C@H]1N1CCC[C@H](C(F)(F)F)C1 ZINC000090695699 180026201 /nfs/dbraw/zinc/02/62/01/180026201.db2.gz NQJGXWBVCWXGMI-OUAUKWLOSA-N 1 0 250.308 2.259 10 0 CEAERO CC(C)(C)NC(=O)N1CCCSC[C@H]1C[NH+]1CCCC1 ZINC000090700917 180027798 /nfs/dbraw/zinc/02/77/98/180027798.db2.gz FCJKTGAILVCDLW-CYBMUJFWSA-N 1 0 299.484 2.398 10 0 CEAERO CCCOc1cc(N(CCC[NH3+])C2CCCC2)ncn1 ZINC000090785063 180039969 /nfs/dbraw/zinc/03/99/69/180039969.db2.gz MSHLNOZCVXBVNN-UHFFFAOYSA-N 1 0 278.400 2.363 10 0 CEAERO CCCOc1cc(N[C@H](C[NH3+])c2ccccc2)ncn1 ZINC000090785705 180040013 /nfs/dbraw/zinc/04/00/13/180040013.db2.gz CKPPLUGLYZKYHW-CYBMUJFWSA-N 1 0 272.352 2.377 10 0 CEAERO CCCOc1cc(NC[C@H]2CCCC[C@H]2C[NH3+])ncn1 ZINC000090785744 180040112 /nfs/dbraw/zinc/04/01/12/180040112.db2.gz ZLPSZSPDBFVBLG-QWHCGFSZSA-N 1 0 278.400 2.442 10 0 CEAERO CCCOc1cc(N(CC[NH3+])C(CC)CC)ncn1 ZINC000090785714 180040294 /nfs/dbraw/zinc/04/02/94/180040294.db2.gz ITHSRVTXIYPLAA-UHFFFAOYSA-N 1 0 266.389 2.219 10 0 CEAERO CC(C)Oc1cc(N[C@H]2CCCC[C@H]2C[NH3+])ncn1 ZINC000090786208 180040880 /nfs/dbraw/zinc/04/08/80/180040880.db2.gz SPAAKWVACZDJMB-RYUDHWBXSA-N 1 0 264.373 2.193 10 0 CEAERO CCOc1cc(N(C)[C@@H]2CCCC[C@@H]2C[NH3+])nc(C)n1 ZINC000090787968 180041262 /nfs/dbraw/zinc/04/12/62/180041262.db2.gz ZOJATYILQASOIO-CHWSQXEVSA-N 1 0 278.400 2.137 10 0 CEAERO CCOc1cc(N(CC)[C@@H]2CCC[C@@H]2C[NH3+])nc(C)n1 ZINC000090787966 180041293 /nfs/dbraw/zinc/04/12/93/180041293.db2.gz XQDPRXUIKDLTFO-CHWSQXEVSA-N 1 0 278.400 2.137 10 0 CEAERO CCOc1cc(NC[C@@H]2CCCC[N@@H+]2C)nc(C)n1 ZINC000090792264 180042784 /nfs/dbraw/zinc/04/27/84/180042784.db2.gz GIBFSKCVWKSIPA-LBPRGKRZSA-N 1 0 264.373 2.080 10 0 CEAERO C[C@H](CSC(C)(C)C)[NH2+]C[C@H](C)[S@](C)=O ZINC000090841423 180043425 /nfs/dbraw/zinc/04/34/25/180043425.db2.gz SHOARXPQAPQUKB-HFBDOXOYSA-N 1 0 251.461 2.263 10 0 CEAERO C[C@H](C[NH2+][C@@H]1CCCN(Cc2ccccc2)C1)[S@](C)=O ZINC000090842224 180044642 /nfs/dbraw/zinc/04/46/42/180044642.db2.gz OSEPXXMSOKVTSL-AKCHCHLHSA-N 1 0 294.464 2.008 10 0 CEAERO COCCN(CCC[NH3+])c1snc2ccccc21 ZINC000090868871 180048995 /nfs/dbraw/zinc/04/89/95/180048995.db2.gz CTKHTEXHFBWACX-UHFFFAOYSA-N 1 0 265.382 2.098 10 0 CEAERO CC(C)OC[C@H](O)CSc1cccc(C[NH3+])c1 ZINC000090870573 180049060 /nfs/dbraw/zinc/04/90/60/180049060.db2.gz KSQHTGSMVYQIIA-LBPRGKRZSA-N 1 0 255.383 2.023 10 0 CEAERO C[NH2+]Cc1cccc(SCCOCCOC)c1 ZINC000090870725 180049394 /nfs/dbraw/zinc/04/93/94/180049394.db2.gz AUSSWPWZSOWBDK-UHFFFAOYSA-N 1 0 255.383 2.161 10 0 CEAERO CNC(=O)[C@H](C)Sc1cccc(C[NH2+]C2CC2)c1 ZINC000090872247 180049839 /nfs/dbraw/zinc/04/98/39/180049839.db2.gz ZCNSJEHLSWLBFE-JTQLQIEISA-N 1 0 264.394 2.165 10 0 CEAERO CC(=O)[C@H]1CCC[N@H+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000090874989 180051146 /nfs/dbraw/zinc/05/11/46/180051146.db2.gz OOQXZBOPFMPTFW-GJZGRUSLSA-N 1 0 259.349 2.291 10 0 CEAERO CC[NH2+]Cc1cn(C[C@@H]2Cc3ccccc3O2)nc1C ZINC000090877752 180051796 /nfs/dbraw/zinc/05/17/96/180051796.db2.gz WRWAZNVWMZFDQC-HNNXBMFYSA-N 1 0 271.364 2.305 10 0 CEAERO CC[NH2+]C[C@@]1(C[C@@H]2Cc3ccccc3O2)CCOC1 ZINC000090877311 180052314 /nfs/dbraw/zinc/05/23/14/180052314.db2.gz KQDKILNUWDPIJS-HOCLYGCPSA-N 1 0 261.365 2.396 10 0 CEAERO CCN(C[C@@H]1Cc2cc(F)ccc2O1)C(C)(C)C[NH3+] ZINC000090879188 180053062 /nfs/dbraw/zinc/05/30/62/180053062.db2.gz XKZBWSVVJYVAQH-ZDUSSCGKSA-N 1 0 266.360 2.188 10 0 CEAERO Fc1ccc2c(c1)C[C@H](COCC1CC[NH2+]CC1)O2 ZINC000090893675 180055070 /nfs/dbraw/zinc/05/50/70/180055070.db2.gz ZCKRRGRIQFMPLS-CQSZACIVSA-N 1 0 265.328 2.145 10 0 CEAERO CC(C)[N@@H+](CC(N)=S)C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893201 180055090 /nfs/dbraw/zinc/05/50/90/180055090.db2.gz NWHIQQIKHMZVEE-LBPRGKRZSA-N 1 0 282.384 2.126 10 0 CEAERO OC1(C[NH2+]C[C@@H]2Cc3cc(F)ccc3O2)CCCCC1 ZINC000090892978 180055388 /nfs/dbraw/zinc/05/53/88/180055388.db2.gz GYTSQYUMPYOMMQ-AWEZNQCLSA-N 1 0 279.355 2.414 10 0 CEAERO CC[C@H]([NH3+])Cc1nccn1C[C@H]1Cc2cc(F)ccc2O1 ZINC000090895275 180056079 /nfs/dbraw/zinc/05/60/79/180056079.db2.gz SVWHDPUUDZXXHU-UONOGXRCSA-N 1 0 289.354 2.306 10 0 CEAERO COCC[NH2+]CCC[C@@H]1Cc2cc(F)ccc2O1 ZINC000090895059 180056457 /nfs/dbraw/zinc/05/64/57/180056457.db2.gz JGLDXMFGFCBRLP-CYBMUJFWSA-N 1 0 253.317 2.145 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](C[NH2+][C@H](C)CN1CCCC1)O2 ZINC000090897625 180057209 /nfs/dbraw/zinc/05/72/09/180057209.db2.gz STMFCZJGWWKMKK-ZBFHGGJFSA-N 1 0 274.408 2.372 10 0 CEAERO CCOCC[NH2+]C[C@H]1Cc2cc(Cl)ccc2O1 ZINC000090903648 180059566 /nfs/dbraw/zinc/05/95/66/180059566.db2.gz XCEASJNKDKKZMO-GFCCVEGCSA-N 1 0 255.745 2.270 10 0 CEAERO CC[C@@](C)(C[NH2+]C1CC1)CN1C[C@H]2CC[C@@H](C1)O2 ZINC000090907527 180062027 /nfs/dbraw/zinc/06/20/27/180062027.db2.gz ZGOPNFXEEYDZOA-ZNMIVQPWSA-N 1 0 252.402 2.018 10 0 CEAERO CC[NH2+]C[C@H](c1ccccc1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090907952 180062051 /nfs/dbraw/zinc/06/20/51/180062051.db2.gz MGSAPHJEWUPIKY-OWCLPIDISA-N 1 0 260.381 2.200 10 0 CEAERO CC[NH2+]Cc1sc(N2C[C@H]3CC[C@@H](C2)O3)nc1C1CC1 ZINC000090908191 180062482 /nfs/dbraw/zinc/06/24/82/180062482.db2.gz LRHZHVABMDDVSG-TXEJJXNPSA-N 1 0 293.436 2.498 10 0 CEAERO CC[C@@H]1CO[C@@H](C)CN1Cc1csc([C@@H](C)[NH3+])n1 ZINC000090958161 180074713 /nfs/dbraw/zinc/07/47/13/180074713.db2.gz MPUSQJBWWHMCEB-HOSYDEDBSA-N 1 0 269.414 2.162 10 0 CEAERO Cc1n[nH]cc1CCC[NH2+]Cc1sccc1N ZINC000090960552 180075247 /nfs/dbraw/zinc/07/52/47/180075247.db2.gz AKBJRRPHWGCSJF-UHFFFAOYSA-N 1 0 250.371 2.084 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000090960596 180075563 /nfs/dbraw/zinc/07/55/63/180075563.db2.gz JNROMQMIYKCFHY-ZYHUDNBSSA-N 1 0 268.382 2.100 10 0 CEAERO CC[C@@H](COC)[NH2+]Cc1sccc1NC(C)=O ZINC000090960771 180076182 /nfs/dbraw/zinc/07/61/82/180076182.db2.gz RTOLSHGOFMAXDG-JTQLQIEISA-N 1 0 256.371 2.221 10 0 CEAERO CC(=O)Nc1ccccc1CNC[C@H](C(C)C)[NH+](C)C ZINC000090961287 180076315 /nfs/dbraw/zinc/07/63/15/180076315.db2.gz NFNQCWSUEQXWJB-MRXNPFEDSA-N 1 0 277.412 2.321 10 0 CEAERO [NH3+][C@H](c1ccc2c(c1)NC(=O)CO2)[C@@H]1Cc2ccccc21 ZINC000090983907 180080225 /nfs/dbraw/zinc/08/02/25/180080225.db2.gz CITTUNOVVUTVDM-CXAGYDPISA-N 1 0 280.327 2.357 10 0 CEAERO [NH3+]CCC[C@@H]1CCCN1C(=O)[C@H]1Cc2ccccc21 ZINC000090987206 180080892 /nfs/dbraw/zinc/08/08/92/180080892.db2.gz YWWVDGDZHACLGY-HIFRSBDPSA-N 1 0 258.365 2.056 10 0 CEAERO CCc1nn(C)c(Cn2cccc2C[NH2+]C)c1Cl ZINC000090995841 180082717 /nfs/dbraw/zinc/08/27/17/180082717.db2.gz ISRRQTZYYMDSJL-UHFFFAOYSA-N 1 0 266.776 2.205 10 0 CEAERO [NH3+]Cc1ccn(Cc2cnn(-c3ccccc3)c2)c1 ZINC000090995218 180082782 /nfs/dbraw/zinc/08/27/82/180082782.db2.gz WFWGGBDTMMYMTF-UHFFFAOYSA-N 1 0 252.321 2.181 10 0 CEAERO CC(C)[NH2+]Cc1cccn1CC(=O)N1CCCCCC1 ZINC000091001114 180083295 /nfs/dbraw/zinc/08/32/95/180083295.db2.gz AGTSGVXABJRJAB-UHFFFAOYSA-N 1 0 277.412 2.389 10 0 CEAERO CCn1cncc1Cn1cccc1C[NH2+]CC(C)C ZINC000091002001 180083779 /nfs/dbraw/zinc/08/37/79/180083779.db2.gz PSONRJOVNGLZDN-UHFFFAOYSA-N 1 0 260.385 2.498 10 0 CEAERO CCc1nn(CC)c(Cn2ccc(CC[NH3+])c2)c1Cl ZINC000091004823 180083918 /nfs/dbraw/zinc/08/39/18/180083918.db2.gz DGPBWUZVAOXWPS-UHFFFAOYSA-N 1 0 280.803 2.470 10 0 CEAERO CCC[C@@H](C)NC(=O)Cn1ccc(C[NH2+]C(C)C)c1 ZINC000091003607 180084013 /nfs/dbraw/zinc/08/40/13/180084013.db2.gz SMZNIXPJXYAGOZ-CYBMUJFWSA-N 1 0 265.401 2.291 10 0 CEAERO COc1cccc(Cn2ccc(C[NH2+]C(C)C)c2)n1 ZINC000091003817 180084058 /nfs/dbraw/zinc/08/40/58/180084058.db2.gz ITSSIMFFYJCGSD-UHFFFAOYSA-N 1 0 259.353 2.438 10 0 CEAERO CCS(=O)(=O)CCCn1ccc(C[NH2+]C(C)(C)C)c1 ZINC000091004316 180084093 /nfs/dbraw/zinc/08/40/93/180084093.db2.gz OIBVEMSEEVTVAD-UHFFFAOYSA-N 1 0 286.441 2.201 10 0 CEAERO CC[NH2+]Cc1ccn(CC(=O)Nc2cccc(F)c2)c1 ZINC000091003207 180084181 /nfs/dbraw/zinc/08/41/81/180084181.db2.gz OXADABHGUFCHQG-UHFFFAOYSA-N 1 0 275.327 2.375 10 0 CEAERO CCn1nc(C)c(Cl)c1Cn1ccc(C[NH2+]C)c1 ZINC000091003004 180084187 /nfs/dbraw/zinc/08/41/87/180084187.db2.gz APNAHYUHIKZCIF-UHFFFAOYSA-N 1 0 266.776 2.434 10 0 CEAERO CCc1cc(Cn2ccc(C[C@H](C)[NH3+])c2)n(CC)n1 ZINC000091006064 180084699 /nfs/dbraw/zinc/08/46/99/180084699.db2.gz XXSLWWKPPRIHJK-LBPRGKRZSA-N 1 0 260.385 2.205 10 0 CEAERO CCn1ccc(C[NH2+]C[C@H]2CCCC[C@H]2CO)c1 ZINC000091016026 180086866 /nfs/dbraw/zinc/08/68/66/180086866.db2.gz OXSYWYGEOGACOS-CABCVRRESA-N 1 0 250.386 2.396 10 0 CEAERO c1csc(CC[NH2+]Cc2c[nH]c3ncccc23)n1 ZINC000091018408 180087032 /nfs/dbraw/zinc/08/70/32/180087032.db2.gz INUCYWUUSVXSAV-UHFFFAOYSA-N 1 0 258.350 2.352 10 0 CEAERO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1c[nH]c2ncccc12 ZINC000091016649 180087075 /nfs/dbraw/zinc/08/70/75/180087075.db2.gz JABAJKUBIZZTNN-CQSZACIVSA-N 1 0 281.363 2.464 10 0 CEAERO CCN1CCC[C@H]1C[NH2+]Cc1c[nH]c2ncccc12 ZINC000091016170 180087278 /nfs/dbraw/zinc/08/72/78/180087278.db2.gz VUEVBLUOEPUJSG-ZDUSSCGKSA-N 1 0 258.369 2.137 10 0 CEAERO CCN1CCC[C@H]([NH2+]Cc2c[nH]c3ncccc23)C1 ZINC000091017514 180087290 /nfs/dbraw/zinc/08/72/90/180087290.db2.gz BEUGVEPYUHBELC-ZDUSSCGKSA-N 1 0 258.369 2.137 10 0 CEAERO CC[NH2+]Cc1cn(Cc2cncn2CC)c2ncccc12 ZINC000091020230 180087693 /nfs/dbraw/zinc/08/76/93/180087693.db2.gz KDGSAXVJMFVDBU-UHFFFAOYSA-N 1 0 283.379 2.411 10 0 CEAERO CCC[NH2+]Cc1cn(Cc2nonc2C)c2ncccc12 ZINC000091020393 180087800 /nfs/dbraw/zinc/08/78/00/180087800.db2.gz DZJRQHIGRXBPLY-UHFFFAOYSA-N 1 0 285.351 2.276 10 0 CEAERO C[C@H]1CCCN(Cc2c[nH]c3ncccc23)[C@@H]1C[NH3+] ZINC000091019747 180088164 /nfs/dbraw/zinc/08/81/64/180088164.db2.gz KUVXFUJGDBSJKD-SMDDNHRTSA-N 1 0 258.369 2.122 10 0 CEAERO C[C@H](O)Cn1cc(C[NH2+]C(C)(C)C)c2cccnc21 ZINC000091021060 180088646 /nfs/dbraw/zinc/08/86/46/180088646.db2.gz YNEXKOSNQKVPHZ-NSHDSACASA-N 1 0 261.369 2.305 10 0 CEAERO c1cnn(CCn2cc(C[NH2+]C3CC3)c3cccnc32)c1 ZINC000091020844 180088693 /nfs/dbraw/zinc/08/86/93/180088693.db2.gz LVKCYVWAWHWENM-UHFFFAOYSA-N 1 0 281.363 2.185 10 0 CEAERO CCCn1cccc1C[NH2+]CC(C)(C)N1CCOCC1 ZINC000091022719 180089017 /nfs/dbraw/zinc/08/90/17/180089017.db2.gz VYUUVOFKIINYNT-UHFFFAOYSA-N 1 0 279.428 2.099 10 0 CEAERO [NH3+]CCc1cn(CC[C@H]2CCCO2)c2ncccc12 ZINC000091021447 180089021 /nfs/dbraw/zinc/08/90/21/180089021.db2.gz PUQHXODVQXDRTA-CYBMUJFWSA-N 1 0 259.353 2.107 10 0 CEAERO CC(C)CCc1noc(-c2csc(CC[NH3+])n2)n1 ZINC000090938812 180067956 /nfs/dbraw/zinc/06/79/56/180067956.db2.gz VVWOVPBJKGWSJI-UHFFFAOYSA-N 1 0 266.370 2.283 10 0 CEAERO CCSCc1noc(-c2csc([C@@H](C)[NH3+])n2)n1 ZINC000090939159 180068173 /nfs/dbraw/zinc/06/81/73/180068173.db2.gz BYPXVZHWZHHBDF-ZCFIWIBFSA-N 1 0 270.383 2.466 10 0 CEAERO Cc1ccccc1NC(=O)c1csc(CC[NH3+])n1 ZINC000090946219 180069512 /nfs/dbraw/zinc/06/95/12/180069512.db2.gz DTYZBKRTXBRTED-UHFFFAOYSA-N 1 0 261.350 2.205 10 0 CEAERO Cc1nnc(-c2csc(CC[NH3+])n2)n1-c1ccccc1 ZINC000090945125 180069647 /nfs/dbraw/zinc/06/96/47/180069647.db2.gz DREWRADLDGUBMO-UHFFFAOYSA-N 1 0 285.376 2.200 10 0 CEAERO C[C@@](O)(COCc1ccccc1)[C@@]1(C[NH3+])CC1(C)C ZINC000669377936 539760822 /nfs/dbraw/zinc/76/08/22/539760822.db2.gz ZPSBUIUHCPTYMY-HZPDHXFCSA-N 1 0 263.381 2.329 10 0 CEAERO CC(C)(C)OC(=O)N1CC2(C1)CC[NH2+]C[C@H]2C(F)F ZINC000091303477 180130235 /nfs/dbraw/zinc/13/02/35/180130235.db2.gz GPOLKVXZBHTHEJ-VIFPVBQESA-N 1 0 276.327 2.098 10 0 CEAERO CC(C)NC(=O)C[C@H](C[NH3+])N(C)Cc1ccc(Cl)cc1 ZINC000091318368 180133683 /nfs/dbraw/zinc/13/36/83/180133683.db2.gz CFZXNNNYBTZNND-CQSZACIVSA-N 1 0 297.830 2.014 10 0 CEAERO CC(C)NC(=O)C[C@@H](C[NH3+])N(C)Cc1ccccc1Cl ZINC000091318363 180133748 /nfs/dbraw/zinc/13/37/48/180133748.db2.gz WXBXPNJRKIGDIP-ZDUSSCGKSA-N 1 0 297.830 2.014 10 0 CEAERO CCC(CC)C[N@H+](CC)[C@@H](CN)CC(=O)N1CCCCC1 ZINC000091325272 180135419 /nfs/dbraw/zinc/13/54/19/180135419.db2.gz DIGDUJQELUJIFI-MRXNPFEDSA-N 1 0 297.487 2.474 10 0 CEAERO CCc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000412042380 233322221 /nfs/dbraw/zinc/32/22/21/233322221.db2.gz KGAWQJJIQGEHJD-AVGNSLFASA-N 1 0 264.369 2.138 10 0 CEAERO CC(C)(C)CNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000091360462 180141017 /nfs/dbraw/zinc/14/10/17/180141017.db2.gz AJOIBBYIQBTWCZ-AGIUHOORSA-N 1 0 252.402 2.460 10 0 CEAERO O=C(NCc1nccs1)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000091360592 180141245 /nfs/dbraw/zinc/14/12/45/180141245.db2.gz QMWQZTTWKHRAPB-WOPDTQHZSA-N 1 0 279.409 2.070 10 0 CEAERO CCOC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000091360486 180141273 /nfs/dbraw/zinc/14/12/73/180141273.db2.gz CTJNLKFXHLUSJO-KBMXLJTQSA-N 1 0 294.439 2.325 10 0 CEAERO C[NH2+][C@H](CSC[C@H](C)CO)c1ccc(OC)cc1 ZINC000091260829 180115982 /nfs/dbraw/zinc/11/59/82/180115982.db2.gz ZWOCZQMFLKOOHF-BXUZGUMPSA-N 1 0 269.410 2.317 10 0 CEAERO CC(C)n1cncc1CN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000091273046 180118039 /nfs/dbraw/zinc/11/80/39/180118039.db2.gz FKMKFOKVMQXRQM-OLZOCXBDSA-N 1 0 250.390 2.023 10 0 CEAERO CCC[NH2+]C[C@@H]1CCN(C)[C@@H]1c1cncn1C1CC1 ZINC000091275411 180119220 /nfs/dbraw/zinc/11/92/20/180119220.db2.gz LYPBRZUEHHYODU-WFASDCNBSA-N 1 0 262.401 2.210 10 0 CEAERO CCN1CCC[C@@H](C[NH2+]C)[C@@H]1c1cncn1C1CC1 ZINC000091275380 180119239 /nfs/dbraw/zinc/11/92/39/180119239.db2.gz JSQACQOTVGIHKH-SWLSCSKDSA-N 1 0 262.401 2.210 10 0 CEAERO CN(Cc1cncn1C1CC1)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000091277114 180119576 /nfs/dbraw/zinc/11/95/76/180119576.db2.gz MPVAFTJIMGCYHT-DOMZBBRYSA-N 1 0 262.401 2.167 10 0 CEAERO CCN(Cc1ccncc1)[C@H](C[NH3+])c1cncn1C1CC1 ZINC000091276388 180119683 /nfs/dbraw/zinc/11/96/83/180119683.db2.gz LTOHROUFSZNIHM-OAHLLOKOSA-N 1 0 285.395 2.135 10 0 CEAERO CC(C)N(CC1CC1)[C@H](C[NH3+])c1cncn1C1CC1 ZINC000091276426 180119758 /nfs/dbraw/zinc/11/97/58/180119758.db2.gz LTRCXDWROKFVKB-CQSZACIVSA-N 1 0 262.401 2.338 10 0 CEAERO CCCCCN(C)[C@@H](C[NH3+])c1cncn1C1CC1 ZINC000091276237 180120485 /nfs/dbraw/zinc/12/04/85/180120485.db2.gz CIBNTJLMQYOKHO-ZDUSSCGKSA-N 1 0 250.390 2.340 10 0 CEAERO CC(C)[NH2+]Cc1ccc(OCc2cncn2C)cc1 ZINC000091278257 180121068 /nfs/dbraw/zinc/12/10/68/180121068.db2.gz XPTMUGHAYZNCSS-UHFFFAOYSA-N 1 0 259.353 2.497 10 0 CEAERO CC[NH2+]Cc1cccc(OC)c1OCc1cncn1C ZINC000091278336 180121433 /nfs/dbraw/zinc/12/14/33/180121433.db2.gz QJBCIOUYGYBJQG-UHFFFAOYSA-N 1 0 275.352 2.117 10 0 CEAERO CC(C)[C@@H](NC(=O)C[C@H]1C[NH2+]CCO1)c1ccc(F)cc1 ZINC000091299871 180126625 /nfs/dbraw/zinc/12/66/25/180126625.db2.gz PQBIKTHZUMGLNK-GOEBONIOSA-N 1 0 294.370 2.018 10 0 CEAERO C[C@H]([NH2+]C1CC(O)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000091431097 180153452 /nfs/dbraw/zinc/15/34/52/180153452.db2.gz ISQZOQWTVUSVDI-FEPKRQSRSA-N 1 0 298.427 2.135 10 0 CEAERO CN(C)[C@@H]1CCC[N@H+](C[C@@H]2CCCCCC2=O)C1 ZINC000091431814 180153554 /nfs/dbraw/zinc/15/35/54/180153554.db2.gz NPVMRMUNEQOTSL-UONOGXRCSA-N 1 0 252.402 2.162 10 0 CEAERO CC[NH2+]Cc1cncc(Oc2cncc(Cl)c2)n1 ZINC000091435468 180154077 /nfs/dbraw/zinc/15/40/77/180154077.db2.gz IGJCCJXEQAITSX-UHFFFAOYSA-N 1 0 264.716 2.427 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cccc(OC)c1)N(C)CC1CC(O)C1 ZINC000091450861 180159032 /nfs/dbraw/zinc/15/90/32/180159032.db2.gz JOUOJFUBRJUGDU-BLMDWJLWSA-N 1 0 292.423 2.176 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1cccc(F)c1)N(C)CC1CC(O)C1 ZINC000091451286 180159219 /nfs/dbraw/zinc/15/92/19/180159219.db2.gz RWKQDSBYUHVWLL-XZQMRNSJSA-N 1 0 280.387 2.307 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(OC)cc1)N(C)CC1CC(O)C1 ZINC000091463327 180162280 /nfs/dbraw/zinc/16/22/80/180162280.db2.gz BJPXITPDADFXBS-TVGUXLQWSA-N 1 0 292.423 2.176 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cccc(C)c1)N(C)CC1CC(O)C1 ZINC000091464208 180163037 /nfs/dbraw/zinc/16/30/37/180163037.db2.gz SJWKHCYPBDMPTG-BNICSPFPSA-N 1 0 276.424 2.476 10 0 CEAERO CC[NH2+]CC[C@@](C)(O)Cc1ccn([C@@H](C)CC)n1 ZINC000091467770 180164415 /nfs/dbraw/zinc/16/44/15/180164415.db2.gz RYUSAOSKCUOWHG-GXTWGEPZSA-N 1 0 253.390 2.147 10 0 CEAERO CCOc1ccc([C@](C)(O)CC[NH3+])cc1OCC ZINC000091469298 180164928 /nfs/dbraw/zinc/16/49/28/180164928.db2.gz PBULYBUYIIJKJP-CQSZACIVSA-N 1 0 253.342 2.040 10 0 CEAERO CCc1nn(CC)c(C[C@@H](O)C[NH2+]CC(C)C)c1Cl ZINC000091469514 180164992 /nfs/dbraw/zinc/16/49/92/180164992.db2.gz ITLHWSGHRHTORD-LLVKDONJSA-N 1 0 287.835 2.268 10 0 CEAERO CCC[NH2+]CC[C@@](C)(O)Cc1ccncc1Cl ZINC000091468104 180165035 /nfs/dbraw/zinc/16/50/35/180165035.db2.gz CWFJZCZKHRCOKN-CYBMUJFWSA-N 1 0 256.777 2.418 10 0 CEAERO C[NH2+]CC1CC(Oc2ccc(C(F)(F)F)cn2)C1 ZINC000091472443 180165567 /nfs/dbraw/zinc/16/55/67/180165567.db2.gz XABFWHVVQSLEPX-UHFFFAOYSA-N 1 0 260.259 2.477 10 0 CEAERO C[NH2+]CC1CC(Oc2ncnc3sc(C)cc32)C1 ZINC000091471699 180165650 /nfs/dbraw/zinc/16/56/50/180165650.db2.gz WGCQZWXLPKONOX-UHFFFAOYSA-N 1 0 263.366 2.377 10 0 CEAERO CC[C@H]1CCC(=O)[C@H](C[N@H+](C)CC2CC(O)C2)C1 ZINC000091489746 180169212 /nfs/dbraw/zinc/16/92/12/180169212.db2.gz KBBAPSREGLUTOP-AHPWVWPOSA-N 1 0 253.386 2.085 10 0 CEAERO CC1(C)C(C(=O)NCC[C@@H]2CCC[NH2+]C2)C1(C)C ZINC000091492726 180170888 /nfs/dbraw/zinc/17/08/88/180170888.db2.gz GGTJTSRNKPDHRR-NSHDSACASA-N 1 0 252.402 2.175 10 0 CEAERO CC1(C)C(C(=O)N[C@H]2c3ccccc3C[C@@H]2[NH3+])C1(C)C ZINC000091494706 180171373 /nfs/dbraw/zinc/17/13/73/180171373.db2.gz KTNRRRKFWJUGFR-STQMWFEESA-N 1 0 272.392 2.410 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)Nc1cccc(F)c1 ZINC000091496750 180172484 /nfs/dbraw/zinc/17/24/84/180172484.db2.gz ATOKJZWFNQOLAN-SKDRFNHKSA-N 1 0 251.305 2.088 10 0 CEAERO C[NH+](C)[C@H]1CCCN(CC(=O)c2c(F)cccc2F)C1 ZINC000091395574 180146315 /nfs/dbraw/zinc/14/63/15/180146315.db2.gz BBDZVJBNEYSZKF-NSHDSACASA-N 1 0 282.334 2.174 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(CC(=O)c2ccc(F)cc2)C1 ZINC000091395305 180146435 /nfs/dbraw/zinc/14/64/35/180146435.db2.gz ISDHDWMBWIQPQY-CQSZACIVSA-N 1 0 264.344 2.034 10 0 CEAERO C[NH+](C)[C@H]1CCCN(Cc2ccc(Cl)cc2N)C1 ZINC000091395707 180146660 /nfs/dbraw/zinc/14/66/60/180146660.db2.gz XYPTUFKJRJCTDG-ZDUSSCGKSA-N 1 0 267.804 2.448 10 0 CEAERO Cc1sc([C@H]2C[NH2+]CCO2)nc1-c1ccco1 ZINC000091501180 180174766 /nfs/dbraw/zinc/17/47/66/180174766.db2.gz SGTSFDKSURNTDA-SNVBAGLBSA-N 1 0 250.323 2.372 10 0 CEAERO CCCN(CC)c1cncc(C[NH2+]CC(C)C)n1 ZINC000091419130 180150632 /nfs/dbraw/zinc/15/06/32/180150632.db2.gz ZHQJQFMUPFMNDF-UHFFFAOYSA-N 1 0 250.390 2.459 10 0 CEAERO CC(C)C[NH2+]Cc1cncc(N(C)[C@@H]2CCSC2)n1 ZINC000091419190 180150647 /nfs/dbraw/zinc/15/06/47/180150647.db2.gz ZIHKOUUVOUJFMF-CYBMUJFWSA-N 1 0 280.441 2.164 10 0 CEAERO CCC[NH2+]Cc1cncc(N(C)CC(C)(C)C)n1 ZINC000091420670 180150857 /nfs/dbraw/zinc/15/08/57/180150857.db2.gz QTFGPHHTWGQEDD-UHFFFAOYSA-N 1 0 250.390 2.459 10 0 CEAERO Cc1nn(-c2cncc(C[NH2+]C(C)C)n2)cc1Cl ZINC000091422580 180151222 /nfs/dbraw/zinc/15/12/22/180151222.db2.gz GBIKCOPBUNFDQZ-UHFFFAOYSA-N 1 0 265.748 2.122 10 0 CEAERO Cc1ccc(Oc2cncc(C[NH2+]C(C)C)n2)cn1 ZINC000091422647 180151447 /nfs/dbraw/zinc/15/14/47/180151447.db2.gz IOWMZRBHJIJOBO-UHFFFAOYSA-N 1 0 258.325 2.470 10 0 CEAERO CCn1nc(C)c(N)c1NCC[N@H+](C)C1CCCC1 ZINC000091557300 180190948 /nfs/dbraw/zinc/19/09/48/180190948.db2.gz MVMBRDOAUHFGCL-UHFFFAOYSA-N 1 0 265.405 2.080 10 0 CEAERO Cc1ccnc(N)c1[C@@H](O)C(C)(C)[NH+]1CCCCC1 ZINC000091563946 180192560 /nfs/dbraw/zinc/19/25/60/180192560.db2.gz TWJMBNJKJOZERD-CYBMUJFWSA-N 1 0 263.385 2.270 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)NCC2CC[NH+](C)CC2)o1 ZINC000105087046 186040966 /nfs/dbraw/zinc/04/09/66/186040966.db2.gz BQTMNNPDYPUHDP-LBPRGKRZSA-N 1 0 279.384 2.290 10 0 CEAERO CC(C)([C@H](O)C[C@H]1Cc2ccccc21)[NH+]1CCOCC1 ZINC000091565810 180193272 /nfs/dbraw/zinc/19/32/72/180193272.db2.gz RNXMVMSSASRFNQ-GDBMZVCRSA-N 1 0 275.392 2.188 10 0 CEAERO CCn1cc(C[C@H]([NH2+]C)C(C)(C)N2CCCCC2)cn1 ZINC000091564790 180193425 /nfs/dbraw/zinc/19/34/25/180193425.db2.gz LXVUATOKZKFTJH-HNNXBMFYSA-N 1 0 278.444 2.298 10 0 CEAERO CCc1cc(C[C@@H]([NH3+])C(C)(C)N2CCCCC2)n(C)n1 ZINC000091564526 180193471 /nfs/dbraw/zinc/19/34/71/180193471.db2.gz UVQWADLUJHVZDQ-OAHLLOKOSA-N 1 0 278.444 2.117 10 0 CEAERO C[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)(C)N1CCOCC1 ZINC000091566617 180193935 /nfs/dbraw/zinc/19/39/35/180193935.db2.gz WJDGMRXUBARXHT-AWEZNQCLSA-N 1 0 284.350 2.336 10 0 CEAERO CC[NH2+][C@H](CCC(F)(F)F)C(C)(C)N1CCOCC1 ZINC000091567037 180194668 /nfs/dbraw/zinc/19/46/68/180194668.db2.gz RCXNZDVMGVSJJN-LLVKDONJSA-N 1 0 282.350 2.418 10 0 CEAERO CCCn1nccc1[C@H]([NH2+]CC)C(C)(C)N1CCOCC1 ZINC000091566868 180194697 /nfs/dbraw/zinc/19/46/97/180194697.db2.gz DCOCVJAXOGYVPI-HNNXBMFYSA-N 1 0 294.443 2.055 10 0 CEAERO Cn1ccnc1[C@H](O)C(C)(C)[NH+]1CCCCCC1 ZINC000091567693 180195163 /nfs/dbraw/zinc/19/51/63/180195163.db2.gz PQSLHDUSPHKVQD-LBPRGKRZSA-N 1 0 251.374 2.108 10 0 CEAERO CC[NH2+][C@@H](c1ccnn1CC)[C@@](C)(CC)N(C)C ZINC000091571051 180195556 /nfs/dbraw/zinc/19/55/56/180195556.db2.gz XCODAOCTKQNOOT-UONOGXRCSA-N 1 0 252.406 2.284 10 0 CEAERO CCn1nc(C)c(Cl)c1C[C@@H](N)[C@@](C)(CC)[NH+](C)C ZINC000091569957 180195799 /nfs/dbraw/zinc/19/57/99/180195799.db2.gz OGUFSTRGZCBLIG-TZMCWYRMSA-N 1 0 286.851 2.465 10 0 CEAERO CC[C@](C)([C@H](Cc1c(Cl)c(C)nn1C)[NH2+]C)N(C)C ZINC000091570367 180195900 /nfs/dbraw/zinc/19/59/00/180195900.db2.gz JHLFIDJHAGVEFK-GXTWGEPZSA-N 1 0 286.851 2.243 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@@H](N)c1c(C)ccnc1N ZINC000091573594 180196201 /nfs/dbraw/zinc/19/62/01/180196201.db2.gz FJQBTIHQRNUJCW-ZFWWWQNUSA-N 1 0 264.417 2.483 10 0 CEAERO CC(C)CN(CC[NH+](C)C)c1c(N)c(C(C)C)nn1C ZINC000091579924 180198613 /nfs/dbraw/zinc/19/86/13/180198613.db2.gz DPGWRLNFWNTXBF-UHFFFAOYSA-N 1 0 281.448 2.150 10 0 CEAERO CCCC1CCC([NH2+][C@H]2CC(=O)N(CC)C2=O)CC1 ZINC000105101773 186042621 /nfs/dbraw/zinc/04/26/21/186042621.db2.gz XELZQQALLZBQJG-BPCQOVAHSA-N 1 0 266.385 2.082 10 0 CEAERO CCCc1nn(C)c(N[C@@H](CC(C)C)C[NH+](C)C)c1N ZINC000091584214 180199723 /nfs/dbraw/zinc/19/97/23/180199723.db2.gz OYGZPDMGUKWCRF-LBPRGKRZSA-N 1 0 281.448 2.343 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@@H](NC)c1ccnn1C ZINC000091599627 180202309 /nfs/dbraw/zinc/20/23/09/180202309.db2.gz WCROXZHZBSPDPB-KBPBESRZSA-N 1 0 252.406 2.191 10 0 CEAERO CCCn1ncnc1C[C@H]([NH2+]C)[C@](C)(CC)N(CC)CC ZINC000091599957 180202533 /nfs/dbraw/zinc/20/25/33/180202533.db2.gz NGTIPTFPTBYFRT-HOCLYGCPSA-N 1 0 295.475 2.329 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@H](NC)c1cnccc1N ZINC000091599375 180202634 /nfs/dbraw/zinc/20/26/34/180202634.db2.gz MPVIFXRUOOVBCO-CABCVRRESA-N 1 0 264.417 2.435 10 0 CEAERO CCn1cc([C@@H]([NH2+]C)[C@](C)(CC)N2CCCC2)cn1 ZINC000091606804 180203951 /nfs/dbraw/zinc/20/39/51/180203951.db2.gz OESCXAUGSOQMSZ-CABCVRRESA-N 1 0 264.417 2.428 10 0 CEAERO CC[C@@](C)([C@H](N)c1cncc(F)c1)[NH+]1CCCC1 ZINC000091605628 180204283 /nfs/dbraw/zinc/20/42/83/180204283.db2.gz LHVJEPGXHIFTCA-KGLIPLIRSA-N 1 0 251.349 2.485 10 0 CEAERO O=C(NC[C@@H]1Cc2ccccc21)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105175315 186044925 /nfs/dbraw/zinc/04/49/25/186044925.db2.gz LEBRJIXZTBZWCQ-JKSUJKDBSA-N 1 0 299.418 2.206 10 0 CEAERO CC[C@](C)([C@H](N)c1cccnc1N)[NH+]1CCCCC1 ZINC000091609526 180205932 /nfs/dbraw/zinc/20/59/32/180205932.db2.gz YKCBRLZNOJEJIT-UKRRQHHQSA-N 1 0 262.401 2.318 10 0 CEAERO CC[C@](C)([C@H]([NH3+])Cc1cccs1)N1CCOCC1 ZINC000091611870 180206615 /nfs/dbraw/zinc/20/66/15/180206615.db2.gz INJYNVWXKKNHSA-ZIAGYGMSSA-N 1 0 268.426 2.119 10 0 CEAERO CC[C@@](C)([C@@H](O)Cc1cccc(OC)c1)[NH+]1CCOCC1 ZINC000091611535 180206678 /nfs/dbraw/zinc/20/66/78/180206678.db2.gz SWCWFDUGNPURPL-IRXDYDNUSA-N 1 0 293.407 2.100 10 0 CEAERO CC[C@](C)([C@@H]([NH3+])CC1CCCC1)N1CCOCC1 ZINC000091611612 180206830 /nfs/dbraw/zinc/20/68/30/180206830.db2.gz WLNAXGONAZTIPD-LSDHHAIUSA-N 1 0 254.418 2.395 10 0 CEAERO CC[NH2+][C@H](c1ccnn1C)C(CC)(CC)N(C)C ZINC000091614802 180207869 /nfs/dbraw/zinc/20/78/69/180207869.db2.gz CTAFZMJTUHRAOV-CYBMUJFWSA-N 1 0 252.406 2.191 10 0 CEAERO CCc1cc(C[C@@](C)(O)CC[NH2+]C(C)(C)C)n(C)n1 ZINC000091522263 180177919 /nfs/dbraw/zinc/17/79/19/180177919.db2.gz XESHTXUQTWPAFC-HNNXBMFYSA-N 1 0 267.417 2.054 10 0 CEAERO C[C@@](O)(C[NH3+])Cc1nc2cc(Cl)ccc2n1C1CC1 ZINC000091523596 180178185 /nfs/dbraw/zinc/17/81/85/180178185.db2.gz ZRVCFVMWBWMLED-AWEZNQCLSA-N 1 0 279.771 2.277 10 0 CEAERO C[NH+](C)C(C)(C)[C@H](N)Cc1ccnc2ccccc12 ZINC000091528405 180179418 /nfs/dbraw/zinc/17/94/18/180179418.db2.gz WBXRJEDOAMIKBA-OAHLLOKOSA-N 1 0 257.381 2.445 10 0 CEAERO COc1ccc(OC)c([C@H](N)C(C)(C)[NH+](C)C)c1 ZINC000091528522 180180483 /nfs/dbraw/zinc/18/04/83/180180483.db2.gz GMCZDYICNVOSDH-ZDUSSCGKSA-N 1 0 252.358 2.044 10 0 CEAERO COc1cccc(C[C@@H](O)C(C)(C)[NH+]2CCCC2)c1 ZINC000091533481 180181224 /nfs/dbraw/zinc/18/12/24/180181224.db2.gz YRIWONQUUSWDNI-OAHLLOKOSA-N 1 0 263.381 2.473 10 0 CEAERO C[NH2+][C@H](c1cc(C)cnc1N)C(C)(C)N1CCCC1 ZINC000091534429 180181434 /nfs/dbraw/zinc/18/14/34/180181434.db2.gz BRJJRZDVDVPJFU-CYBMUJFWSA-N 1 0 262.401 2.107 10 0 CEAERO Cc1nn(C)c(C[C@H]([NH3+])C(C)(C)N2CCCC2)c1Cl ZINC000091533700 180181462 /nfs/dbraw/zinc/18/14/62/180181462.db2.gz OICXFGFKSALRQK-LBPRGKRZSA-N 1 0 284.835 2.126 10 0 CEAERO C[NH2+][C@@H](Cc1csc(C)n1)C(C)(C)N1CCCC1 ZINC000091534676 180182270 /nfs/dbraw/zinc/18/22/70/180182270.db2.gz OCNXRLPMYUOAPA-ZDUSSCGKSA-N 1 0 267.442 2.456 10 0 CEAERO CC[NH2+][C@H](c1cnn(CC)c1)C(C)(C)N1CCCC1 ZINC000091535776 180182401 /nfs/dbraw/zinc/18/24/01/180182401.db2.gz PYQHVRSIAHAWMO-CQSZACIVSA-N 1 0 264.417 2.428 10 0 CEAERO COc1ccc(Cl)c(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000091539676 180183157 /nfs/dbraw/zinc/18/31/57/180183157.db2.gz ABDHTQNJYBOBRK-BDAKNGLRSA-N 1 0 268.744 2.415 10 0 CEAERO Cc1ccc(-c2nnco2)cc1NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091545798 180186669 /nfs/dbraw/zinc/18/66/69/180186669.db2.gz OQZLKSSWGYBOMF-JQWIXIFHSA-N 1 0 286.335 2.111 10 0 CEAERO COc1ccccc1CN(C(=O)[C@H]1CC[C@@H]([NH3+])C1)C1CC1 ZINC000091549005 180188119 /nfs/dbraw/zinc/18/81/19/180188119.db2.gz BQKPOQJCVZDZCO-GXTWGEPZSA-N 1 0 288.391 2.314 10 0 CEAERO CCn1nc(C)c(N)c1NC[C@H](C)[NH+]1CCCCC1 ZINC000091554218 180189641 /nfs/dbraw/zinc/18/96/41/180189641.db2.gz DHQRPQZIWOXEGB-NSHDSACASA-N 1 0 265.405 2.080 10 0 CEAERO CCn1cc(C[C@@H](O)C(CC)(CC)[NH+]2CCCC2)cn1 ZINC000091634452 180210367 /nfs/dbraw/zinc/21/03/67/180210367.db2.gz JGMOCQGHLHDUII-OAHLLOKOSA-N 1 0 279.428 2.461 10 0 CEAERO CCc1cc(C[C@@H](O)C2([NH+](C)C)CCCC2)n(CC)n1 ZINC000091636328 180211208 /nfs/dbraw/zinc/21/12/08/180211208.db2.gz MPECNAGJNKMVIU-OAHLLOKOSA-N 1 0 279.428 2.243 10 0 CEAERO CCCn1nccc1[C@H](N)C1([NH+](C)C)CCCC1 ZINC000091637266 180211659 /nfs/dbraw/zinc/21/16/59/180211659.db2.gz BVMIMQUZJIKWSI-ZDUSSCGKSA-N 1 0 250.390 2.167 10 0 CEAERO CC[NH2+][C@@H](c1ccnn1CC)C1(N(C)C)CCCC1 ZINC000091637931 180212530 /nfs/dbraw/zinc/21/25/30/180212530.db2.gz JMMQFEYZTOGJQG-AWEZNQCLSA-N 1 0 264.417 2.428 10 0 CEAERO CC[NH2+][C@@H](Cc1ccccn1)C1(N(C)C)CCCC1 ZINC000091637925 180212636 /nfs/dbraw/zinc/21/26/36/180212636.db2.gz WNLJJYPXHUTQCE-HNNXBMFYSA-N 1 0 261.413 2.477 10 0 CEAERO Nc1ncccc1[C@H](N)C1([NH+]2CCCC2)CCCC1 ZINC000091640800 180213051 /nfs/dbraw/zinc/21/30/51/180213051.db2.gz YIVAOZMKBRHQBO-ZDUSSCGKSA-N 1 0 260.385 2.072 10 0 CEAERO O[C@@H](Cc1cccs1)C1([NH+]2CCOCC2)CCCC1 ZINC000091642742 180214304 /nfs/dbraw/zinc/21/43/04/180214304.db2.gz PXSARJKBMAMBHC-AWEZNQCLSA-N 1 0 281.421 2.297 10 0 CEAERO CCn1ccnc1[C@@H](O)C1([NH+](C)C)CCCCC1 ZINC000091646671 180215145 /nfs/dbraw/zinc/21/51/45/180215145.db2.gz PLFTYEWRVHNYLF-GFCCVEGCSA-N 1 0 251.374 2.201 10 0 CEAERO C[NH2+][C@@H](Cc1ccccn1)C1(N(C)C)CCCCC1 ZINC000091647400 180215288 /nfs/dbraw/zinc/21/52/88/180215288.db2.gz VBFGCVMURNKSLI-HNNXBMFYSA-N 1 0 261.413 2.477 10 0 CEAERO CCCn1ncnc1C[C@H](O)C1([NH+](C)C)CCC(C)CC1 ZINC000091648415 180215530 /nfs/dbraw/zinc/21/55/30/180215530.db2.gz MMTDZRMUAZMKGZ-BBBYJDLNSA-N 1 0 294.443 2.102 10 0 CEAERO Cc1ccnc(N)c1[C@@H](N)C1([NH+](C)C)CCCCC1 ZINC000091647059 180215698 /nfs/dbraw/zinc/21/56/98/180215698.db2.gz AXIDUQYTMIXLGR-CYBMUJFWSA-N 1 0 262.401 2.237 10 0 CEAERO CC1CCC([C@@H](O)Cc2ccnc(N)c2)([NH+](C)C)CC1 ZINC000091648456 180216087 /nfs/dbraw/zinc/21/60/87/180216087.db2.gz CQUZEHAYSFABND-UGWHAMFMSA-N 1 0 277.412 2.078 10 0 CEAERO Cc1cc(CC(=O)[C@]2([NH+](C)C)CCC[C@H](C)C2)n(C)n1 ZINC000091649659 180216162 /nfs/dbraw/zinc/21/61/62/180216162.db2.gz LMXBDPOMUPCLGY-LRDDRELGSA-N 1 0 277.412 2.351 10 0 CEAERO CCc1cc(C[C@@H](O)C2([NH+](C)C)CCC(C)CC2)n(C)n1 ZINC000091648462 180216220 /nfs/dbraw/zinc/21/62/20/180216220.db2.gz IRMDSNYOGGLWTR-BLDCVEFLSA-N 1 0 293.455 2.396 10 0 CEAERO C[NH2+][C@H](c1cncnc1)[C@@]1(N(C)C)CCC[C@@H](C)C1 ZINC000091652587 180216904 /nfs/dbraw/zinc/21/69/04/180216904.db2.gz URSSWVRGXGMWTA-BPLDGKMQSA-N 1 0 262.401 2.248 10 0 CEAERO C[NH+](C)C1([C@@H](O)Cc2ccnc(N)c2)CCCCCC1 ZINC000091653812 180217009 /nfs/dbraw/zinc/21/70/09/180217009.db2.gz DCLIOKJJPWVBKO-AWEZNQCLSA-N 1 0 277.412 2.222 10 0 CEAERO Cc1cc(C[C@@H](N)C2([NH+](C)C)CCCCCC2)n(C)n1 ZINC000091654228 180217425 /nfs/dbraw/zinc/21/74/25/180217425.db2.gz MCFNOKHLXLCSCZ-OAHLLOKOSA-N 1 0 278.444 2.253 10 0 CEAERO Cc1cnc(Cl)nc1OCC[C@H]1CCC[N@H+]1C ZINC000091657824 180218939 /nfs/dbraw/zinc/21/89/39/180218939.db2.gz GGXVOTJTJCHICK-SNVBAGLBSA-N 1 0 255.749 2.302 10 0 CEAERO CCc1ccccc1C[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091662603 180220162 /nfs/dbraw/zinc/22/01/62/180220162.db2.gz GYWGJVHPKBHUHO-IAGOWNOFSA-N 1 0 274.408 2.202 10 0 CEAERO CC[NH2+][C@@H](C)c1sc([C@@H]2CN(C)CCO2)nc1C ZINC000091722422 180239470 /nfs/dbraw/zinc/23/94/70/180239470.db2.gz VEIGEHNJENXWKP-ONGXEEELSA-N 1 0 269.414 2.125 10 0 CEAERO Cc1ccc(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(C)c1 ZINC000091714069 180231482 /nfs/dbraw/zinc/23/14/82/180231482.db2.gz YYNRVDWXHTUTDP-HIFRSBDPSA-N 1 0 259.349 2.349 10 0 CEAERO Cc1ccc(F)c([C@H](O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000091715562 180232162 /nfs/dbraw/zinc/23/21/62/180232162.db2.gz NHFGOVIZFUJXFT-UGFHNGPFSA-N 1 0 265.328 2.031 10 0 CEAERO CC[NH2+][C@H](C1CCC(C)CC1)[C@H]1CN(C)CCO1 ZINC000091718817 180233140 /nfs/dbraw/zinc/23/31/40/180233140.db2.gz FDZAEGIEQATPAM-NEXFUWMNSA-N 1 0 254.418 2.121 10 0 CEAERO CC[NH2+][C@@H](c1ccc(C)cc1C)[C@H]1CN(C)CCO1 ZINC000091718220 180233415 /nfs/dbraw/zinc/23/34/15/180233415.db2.gz WIANEBVHUXBCNG-CVEARBPZSA-N 1 0 262.397 2.285 10 0 CEAERO CC[NH2+][C@H](c1cccc(Cl)c1)[C@@H]1CN(C)CCO1 ZINC000091718567 180233449 /nfs/dbraw/zinc/23/34/49/180233449.db2.gz AAOHXSYTFPPCBU-UONOGXRCSA-N 1 0 268.788 2.321 10 0 CEAERO CC[NH2+][C@@H](c1cc(C)cc(C)c1)[C@@H]1CN(C)CCO1 ZINC000091718230 180233548 /nfs/dbraw/zinc/23/35/48/180233548.db2.gz TZTXYGWAWPPCFZ-HOTGVXAUSA-N 1 0 262.397 2.285 10 0 CEAERO CCC[NH2+][C@H](c1cc(F)ccc1F)[C@H]1CN(C)CCO1 ZINC000091718941 180233652 /nfs/dbraw/zinc/23/36/52/180233652.db2.gz FABJAYPEHIELDT-HUUCEWRRSA-N 1 0 284.350 2.336 10 0 CEAERO CCC[NH2+][C@@H](c1cc(C)ccc1OC)[C@H]1CN(C)CCO1 ZINC000091719508 180234290 /nfs/dbraw/zinc/23/42/90/180234290.db2.gz NBUNPKSOFOOPJV-SJORKVTESA-N 1 0 292.423 2.375 10 0 CEAERO CCC[NH2+][C@@H](C1CCCCC1)[C@@H]1CN(C)CCO1 ZINC000091719198 180234338 /nfs/dbraw/zinc/23/43/38/180234338.db2.gz SITXKEUGRGRUGK-GJZGRUSLSA-N 1 0 254.418 2.266 10 0 CEAERO CC[NH2+][C@H](Cc1cc(C)ccc1OC)CN(C)C ZINC000091719713 180234592 /nfs/dbraw/zinc/23/45/92/180234592.db2.gz WJYJMIAHDAGVNJ-CQSZACIVSA-N 1 0 250.386 2.086 10 0 CEAERO CC[NH2+][C@H](Cc1ccc2ccccc2n1)CN(C)C ZINC000091719753 180234619 /nfs/dbraw/zinc/23/46/19/180234619.db2.gz NXCGSOMPPBKZIM-OAHLLOKOSA-N 1 0 257.381 2.317 10 0 CEAERO CCc1ccc([C@H](CC)[NH2+][C@@H]2CCOC[C@@H]2O)cc1 ZINC000624235840 350239564 /nfs/dbraw/zinc/23/95/64/350239564.db2.gz QQCJPGLLTZHMBJ-XHSDSOJGSA-N 1 0 263.381 2.440 10 0 CEAERO CN[C@H](c1cc(F)cc(F)c1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721235 180237398 /nfs/dbraw/zinc/23/73/98/180237398.db2.gz ZQQFQCODXXYBGQ-RBSFLKMASA-N 1 0 282.334 2.089 10 0 CEAERO CC[NH2+][C@H](c1ccccc1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721743 180238170 /nfs/dbraw/zinc/23/81/70/180238170.db2.gz UTMLNRPCTHNWPZ-BZUAXINKSA-N 1 0 260.381 2.200 10 0 CEAERO C[NH2+][C@H](CCC(C)(C)C)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721289 180238396 /nfs/dbraw/zinc/23/83/96/180238396.db2.gz ZTCFZNOKIRZQAI-MCIONIFRSA-N 1 0 254.418 2.264 10 0 CEAERO CC[NH2+][C@H](c1ccc(F)cc1F)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721581 180238492 /nfs/dbraw/zinc/23/84/92/180238492.db2.gz NASLAQINNQSJFB-UHOFOFEASA-N 1 0 296.361 2.479 10 0 CEAERO CCc1ccc(C(=O)N2C[C@@H]3C[C@H]([NH3+])CC[C@@H]3C2)o1 ZINC000091762418 180247665 /nfs/dbraw/zinc/24/76/65/180247665.db2.gz QWRFXOISMUVCSX-GRYCIOLGSA-N 1 0 262.353 2.041 10 0 CEAERO Cc1nn(C)c(Cn2cccc2[C@H](C)[NH3+])c1Cl ZINC000091800204 180258837 /nfs/dbraw/zinc/25/88/37/180258837.db2.gz PIJQJSFUQHJKJZ-QMMMGPOBSA-N 1 0 252.749 2.251 10 0 CEAERO CC[NH2+][C@H](C)c1cccn1CC(=O)NC(C)(C)C ZINC000091801910 180259218 /nfs/dbraw/zinc/25/92/18/180259218.db2.gz RUDYEBMYZVJXBZ-LLVKDONJSA-N 1 0 251.374 2.073 10 0 CEAERO CC[NH2+][C@H](CC1CCC1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091722029 180240524 /nfs/dbraw/zinc/24/05/24/180240524.db2.gz OLRYOAXKPZUHSU-KFWWJZLASA-N 1 0 252.402 2.018 10 0 CEAERO OC[C@H]1CCC[N@@H+]1C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000091736022 180242980 /nfs/dbraw/zinc/24/29/80/180242980.db2.gz NGUYNGPWHQUDGP-ZIAGYGMSSA-N 1 0 294.782 2.290 10 0 CEAERO Cc1noc(CC[NH2+]Cc2cc3ccccc3o2)n1 ZINC000105469842 186059427 /nfs/dbraw/zinc/05/94/27/186059427.db2.gz IDEORURKPTTXTC-UHFFFAOYSA-N 1 0 257.293 2.457 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+][C@H]2C[C@H](OC)C2)c1C ZINC000624298702 350255034 /nfs/dbraw/zinc/25/50/34/350255034.db2.gz XSEFVGISAZOHBX-OASPWFOLSA-N 1 0 251.374 2.348 10 0 CEAERO CCC[NH2+][C@H](CC)[C@H](C)c1nc(CN(C)C)no1 ZINC000091747690 180245350 /nfs/dbraw/zinc/24/53/50/180245350.db2.gz USZZYDKWSYJDKY-WDEREUQCSA-N 1 0 254.378 2.013 10 0 CEAERO CCN(c1cc(C)ccc1C(N)=O)C1CCC([NH3+])CC1 ZINC000091851210 180272737 /nfs/dbraw/zinc/27/27/37/180272737.db2.gz WOEHVZFWKHXHKL-UHFFFAOYSA-N 1 0 275.396 2.190 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)c2ccoc2C)CC1 ZINC000091854419 180274253 /nfs/dbraw/zinc/27/42/53/180274253.db2.gz DMGQWLUEXGZLDY-UHFFFAOYSA-N 1 0 250.342 2.191 10 0 CEAERO CCC[NH2+][C@@H](C)c1cccn1CCCC(=O)NC ZINC000091802544 180259895 /nfs/dbraw/zinc/25/98/95/180259895.db2.gz XEAYBAREDYVCAO-LBPRGKRZSA-N 1 0 251.374 2.075 10 0 CEAERO CCC[NH2+][C@H](C)c1cccn1Cc1ncnn1CC ZINC000091803220 180260254 /nfs/dbraw/zinc/26/02/54/180260254.db2.gz CRXNOTADGRNSIV-GFCCVEGCSA-N 1 0 261.373 2.208 10 0 CEAERO CC[C@H]([NH2+]C)c1ccn(CCC(=O)NC(C)C)c1 ZINC000091816567 180263092 /nfs/dbraw/zinc/26/30/92/180263092.db2.gz YTZJXJQSCABABN-ZDUSSCGKSA-N 1 0 251.374 2.073 10 0 CEAERO CCC[NH2+][C@H](CC)c1ccn(CCCC(=O)NC)c1 ZINC000091817752 180263470 /nfs/dbraw/zinc/26/34/70/180263470.db2.gz XKSAHPYKTIHWPC-CQSZACIVSA-N 1 0 265.401 2.465 10 0 CEAERO CCC[NH2+][C@H](CCC)c1ccn(C[C@H](C)C(N)=O)c1 ZINC000091823463 180263816 /nfs/dbraw/zinc/26/38/16/180263816.db2.gz UZSASKPLLGMMEF-GXTWGEPZSA-N 1 0 265.401 2.450 10 0 CEAERO O=C1NCCC[C@]12CC[N@H+](C/C=C/c1ccccc1)C2 ZINC000091819907 180264104 /nfs/dbraw/zinc/26/41/04/180264104.db2.gz IEZSFYBMJVPWRA-IOMDMTNGSA-N 1 0 270.376 2.302 10 0 CEAERO CCC[C@@H]([NH2+]C)c1ccn(CCC(=O)NC(C)C)c1 ZINC000091821702 180264137 /nfs/dbraw/zinc/26/41/37/180264137.db2.gz VQWACIDHGCBLDF-CQSZACIVSA-N 1 0 265.401 2.463 10 0 CEAERO CC(C)CCNC(=O)Cn1ccc([C@@H]([NH3+])C(C)C)c1 ZINC000091825857 180264920 /nfs/dbraw/zinc/26/49/20/180264920.db2.gz MALPNCHEBSPEFE-HNNXBMFYSA-N 1 0 265.401 2.306 10 0 CEAERO CCNC(=O)CCn1ccc([C@H]([NH2+]CC)C(C)C)c1 ZINC000091827843 180265274 /nfs/dbraw/zinc/26/52/74/180265274.db2.gz CMOXBONBIQKAKC-OAHLLOKOSA-N 1 0 265.401 2.321 10 0 CEAERO CC(C)c1nnsc1C(=O)N(C)C1CCC([NH3+])CC1 ZINC000091845776 180270568 /nfs/dbraw/zinc/27/05/68/180270568.db2.gz FUJLLSSBXBQBJN-UHFFFAOYSA-N 1 0 282.413 2.003 10 0 CEAERO CC1(C)[C@H]([NH2+][C@@H]2CCC[C@H](O)C2)[C@H]2CCCO[C@H]21 ZINC000251185033 539791645 /nfs/dbraw/zinc/79/16/45/539791645.db2.gz RQBGNKPXAWTMEI-XVIXHAIJSA-N 1 0 253.386 2.083 10 0 CEAERO CCN(C(=O)CC[C@H]1CCCO1)C1CCC([NH3+])CC1 ZINC000091850216 180271792 /nfs/dbraw/zinc/27/17/92/180271792.db2.gz YVUZCAIIIIOWIP-JXQTWKCFSA-N 1 0 268.401 2.064 10 0 CEAERO CCN(C(=O)[C@H]1CCCS1)C1CCC([NH3+])CC1 ZINC000091850414 180271955 /nfs/dbraw/zinc/27/19/55/180271955.db2.gz ACQJBOAJJUKQDT-HTAVTVPLSA-N 1 0 256.415 2.000 10 0 CEAERO CCN(CC)C(=O)N(CCC(N)=[NH2+])c1ccccc1 ZINC000091962624 180293144 /nfs/dbraw/zinc/29/31/44/180293144.db2.gz XQKNVOJFCXAAFH-UHFFFAOYSA-N 1 0 262.357 2.281 10 0 CEAERO CCN(C(=O)N1CCCCC1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000091969541 180294614 /nfs/dbraw/zinc/29/46/14/180294614.db2.gz AWNVLEMFAFTQRC-CHWSQXEVSA-N 1 0 253.390 2.042 10 0 CEAERO CC[NH2+]C1CCC(N(C)Cc2ncnn2C(C)C)CC1 ZINC000091870238 180277227 /nfs/dbraw/zinc/27/72/27/180277227.db2.gz XEMTXWAOAOBNME-UHFFFAOYSA-N 1 0 279.432 2.212 10 0 CEAERO CN(C(=O)N1CCCCC1)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000091969546 180294656 /nfs/dbraw/zinc/29/46/56/180294656.db2.gz QNEMSZSZLICENG-OLZOCXBDSA-N 1 0 253.390 2.042 10 0 CEAERO C[NH2+]C1CCC(NC(=O)N2CCCCCC2)CC1 ZINC000091971140 180295046 /nfs/dbraw/zinc/29/50/46/180295046.db2.gz GFRBCPJSUNKIPZ-UHFFFAOYSA-N 1 0 253.390 2.103 10 0 CEAERO O=C(N1CCCCC1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000091969431 180294733 /nfs/dbraw/zinc/29/47/33/180294733.db2.gz MSJYPBIIBBVBNY-KGLIPLIRSA-N 1 0 265.401 2.056 10 0 CEAERO [NH3+]CC1([C@H](O)c2ccc3c(c2)OCCCO3)CCCC1 ZINC000091912462 180285109 /nfs/dbraw/zinc/28/51/09/180285109.db2.gz XMWUWQSPMQSFJJ-OAHLLOKOSA-N 1 0 277.364 2.400 10 0 CEAERO [NH3+]C[C@]1([C@@H](O)[C@H]2CC=CCC2)CCOc2ccccc21 ZINC000091913863 180285213 /nfs/dbraw/zinc/28/52/13/180285213.db2.gz DMIWGBNLNQSXHU-RRQGHBQHSA-N 1 0 273.376 2.383 10 0 CEAERO CCC1CCC(C[NH3+])([C@H](O)[C@H]2CCCOC2)CC1 ZINC000091913626 180285419 /nfs/dbraw/zinc/28/54/19/180285419.db2.gz YITYFMWPGRMCHF-RAFNIBEQSA-N 1 0 255.402 2.319 10 0 CEAERO CSCC[C@H](O)[C@]1(C[NH3+])CCc2ccccc2C1 ZINC000091917470 180285756 /nfs/dbraw/zinc/28/57/56/180285756.db2.gz PFTOHHJDXBOGTH-LSDHHAIUSA-N 1 0 265.422 2.234 10 0 CEAERO [NH3+]C[C@]1([C@H](O)Cc2ccccc2)CCOc2ccccc21 ZINC000091914021 180285786 /nfs/dbraw/zinc/28/57/86/180285786.db2.gz PUHIEVHHXHPGCM-QZTJIDSGSA-N 1 0 283.371 2.269 10 0 CEAERO [NH3+]C[C@@]1([C@@]2(O)CCCOCC2)CCCc2ccccc21 ZINC000091922890 180286515 /nfs/dbraw/zinc/28/65/15/180286515.db2.gz RAVKRLBVKQUYCG-DLBZAZTESA-N 1 0 275.392 2.151 10 0 CEAERO CCCn1cncc1[C@@H](O)[C@]1(C[NH3+])CCc2ccccc21 ZINC000091926347 180287331 /nfs/dbraw/zinc/28/73/31/180287331.db2.gz QKJCZZXURQAOOW-SJORKVTESA-N 1 0 285.391 2.169 10 0 CEAERO CCN1CCO[C@H](COC2(C[NH3+])CCC(C)(C)CC2)C1 ZINC000092050581 180312017 /nfs/dbraw/zinc/31/20/17/180312017.db2.gz AMILAPMKLMRHCX-AWEZNQCLSA-N 1 0 284.444 2.021 10 0 CEAERO CCN1CCO[C@H](COc2c(C)cc(C[NH2+]C)cc2C)C1 ZINC000092051018 180312033 /nfs/dbraw/zinc/31/20/33/180312033.db2.gz ZBYMPDMAHHVHDB-INIZCTEOSA-N 1 0 292.423 2.122 10 0 CEAERO C[NH2+][C@H](C)c1cc(Cl)ccc1OC[C@H]1CN(C)CCO1 ZINC000092054426 180314001 /nfs/dbraw/zinc/31/40/01/180314001.db2.gz SEFSREZQGYWUGJ-DGCLKSJQSA-N 1 0 298.814 2.330 10 0 CEAERO [NH3+]CCC[C@@H]1CCCN1C(=O)N1CCCCCC1 ZINC000091971956 180295463 /nfs/dbraw/zinc/29/54/63/180295463.db2.gz DNADQRXSBQIYMS-CYBMUJFWSA-N 1 0 253.390 2.186 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1CNC(=O)N1CCCCCC1 ZINC000091971958 180295562 /nfs/dbraw/zinc/29/55/62/180295562.db2.gz QIIDPAQYNVPFOZ-OLZOCXBDSA-N 1 0 253.390 2.090 10 0 CEAERO NC(=[NH2+])COc1ccc(NC(=O)N2CCCCCC2)cc1 ZINC000091971986 180295592 /nfs/dbraw/zinc/29/55/92/180295592.db2.gz WZBVZNWSRZFWTF-UHFFFAOYSA-N 1 0 290.367 2.409 10 0 CEAERO CCCN(C(=O)N1CCCCCC1)C1CC[NH2+]CC1 ZINC000091971567 180295691 /nfs/dbraw/zinc/29/56/91/180295691.db2.gz CBMLAYXOXVCYPQ-UHFFFAOYSA-N 1 0 267.417 2.446 10 0 CEAERO CC(C)CN(CCC[NH3+])C(=O)N1CCC[C@H](C)C1 ZINC000091972727 180295910 /nfs/dbraw/zinc/29/59/10/180295910.db2.gz WWURGNFWKRVRMW-ZDUSSCGKSA-N 1 0 255.406 2.145 10 0 CEAERO CCN(C)C(=O)N(CC)C1(C[NH3+])CCCCCC1 ZINC000091972902 180296308 /nfs/dbraw/zinc/29/63/08/180296308.db2.gz JDRBPUBIESVYCH-UHFFFAOYSA-N 1 0 255.406 2.432 10 0 CEAERO CCN(C(=O)N1CCC(C)CC1)[C@H]1CCC[C@@H]1C[NH3+] ZINC000091991518 180299806 /nfs/dbraw/zinc/29/98/06/180299806.db2.gz VMTRJUFAPXECGC-KGLIPLIRSA-N 1 0 267.417 2.288 10 0 CEAERO CC1CCN(C(=O)N[C@@H](C(N)=[NH2+])C2CCCCC2)CC1 ZINC000091993348 180300418 /nfs/dbraw/zinc/30/04/18/180300418.db2.gz IHFWCRFGMBVBIH-CYBMUJFWSA-N 1 0 280.416 2.313 10 0 CEAERO CCCCOC(=O)COc1ccc(C)nc1C[NH2+]CC ZINC000091994820 180300906 /nfs/dbraw/zinc/30/09/06/180300906.db2.gz BFOUGAXCAOZLLK-UHFFFAOYSA-N 1 0 280.368 2.222 10 0 CEAERO CC[NH2+]Cc1nc(C)ccc1OCc1ncnn1C(C)C ZINC000091994684 180301233 /nfs/dbraw/zinc/30/12/33/180301233.db2.gz UHGQNQBUKGQVDF-UHFFFAOYSA-N 1 0 289.383 2.251 10 0 CEAERO CCC(CC)NC(=O)[C@@H](C)Oc1ccc(C)nc1C[NH2+]C ZINC000091994396 180301478 /nfs/dbraw/zinc/30/14/78/180301478.db2.gz CCUXITOWCHGJNY-GFCCVEGCSA-N 1 0 293.411 2.182 10 0 CEAERO CC[NH2+]Cc1nc(C)ccc1OC1CCOCC1 ZINC000091994628 180301491 /nfs/dbraw/zinc/30/14/91/180301491.db2.gz OPKDTGFDPZCPFC-UHFFFAOYSA-N 1 0 250.342 2.057 10 0 CEAERO CC[C@H](O)COc1ccc(C)nc1C[NH2+]C(C)(C)C ZINC000091996129 180302001 /nfs/dbraw/zinc/30/20/01/180302001.db2.gz CKOXBYIMFCDYDN-LBPRGKRZSA-N 1 0 266.385 2.428 10 0 CEAERO CCOCCOc1ccc(C)nc1C[NH2+]C(C)C ZINC000091995417 180302123 /nfs/dbraw/zinc/30/21/23/180302123.db2.gz ZSOSUQOMRPZOBX-UHFFFAOYSA-N 1 0 252.358 2.303 10 0 CEAERO Cc1ccc(OCC(=O)NC(C)C)c(C[NH2+]C(C)(C)C)n1 ZINC000091996243 180302406 /nfs/dbraw/zinc/30/24/06/180302406.db2.gz GWIGPWRYUGELHT-UHFFFAOYSA-N 1 0 293.411 2.182 10 0 CEAERO Cc1ccc(OCC[C@H]2CCCO2)c(C[C@@H](C)[NH3+])n1 ZINC000092000118 180303811 /nfs/dbraw/zinc/30/38/11/180303811.db2.gz UKGIUNHLKXJYSF-DGCLKSJQSA-N 1 0 264.369 2.228 10 0 CEAERO CC[NH2+][C@H](C=C(C)C)[C@](C)(CC)N1CCOCC1 ZINC000092128186 180329444 /nfs/dbraw/zinc/32/94/44/180329444.db2.gz BJTWREICYXULOT-CABCVRRESA-N 1 0 254.418 2.432 10 0 CEAERO CC[C@](C)(CO)[NH2+]Cc1cnc(C)n1-c1ccccc1 ZINC000092129127 180329737 /nfs/dbraw/zinc/32/97/37/180329737.db2.gz ZACPPJNZGYSQIU-MRXNPFEDSA-N 1 0 273.380 2.431 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000092133182 180330767 /nfs/dbraw/zinc/33/07/67/180330767.db2.gz NYYCXLZGBURDHE-BXUZGUMPSA-N 1 0 266.360 2.495 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)N[C@H](C)c1ccc(SC)cc1 ZINC000092133298 180330921 /nfs/dbraw/zinc/33/09/21/180330921.db2.gz UUCKISMELNTVFA-GHMZBOCLSA-N 1 0 266.410 2.441 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)N1CCCCC[C@H]1c1cccn1C ZINC000092134208 180332024 /nfs/dbraw/zinc/33/20/24/180332024.db2.gz CMQQXFPEBJLIRJ-HIFRSBDPSA-N 1 0 277.412 2.324 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)N1CC=C(c2ccccc2)CC1 ZINC000092134302 180332090 /nfs/dbraw/zinc/33/20/90/180332090.db2.gz BVCCIBLZXAUZHF-CYBMUJFWSA-N 1 0 258.365 2.158 10 0 CEAERO COC(C)(C)c1noc(-c2cccc(CC[NH3+])c2)n1 ZINC000092137992 180333510 /nfs/dbraw/zinc/33/35/10/180333510.db2.gz DKROLSIBKVDCCO-UHFFFAOYSA-N 1 0 261.325 2.119 10 0 CEAERO [NH3+]CCCc1cnn(-c2cc(F)c(F)c(F)c2)c1 ZINC000092150451 180334477 /nfs/dbraw/zinc/33/44/77/180334477.db2.gz SYBUOIXPOUEJMY-UHFFFAOYSA-N 1 0 255.243 2.181 10 0 CEAERO COc1ccc(NC(=O)CC[NH+]2C[C@@H](C)[C@H](C)C2)c(N)c1 ZINC000092080442 180319024 /nfs/dbraw/zinc/31/90/24/180319024.db2.gz ZKMYWWYNWQGKHC-VXGBXAGGSA-N 1 0 291.395 2.194 10 0 CEAERO Cc1c(N)cccc1NC(=O)CC[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000092081731 180319329 /nfs/dbraw/zinc/31/93/29/180319329.db2.gz CZGFLZWWUQOEKA-RYUDHWBXSA-N 1 0 275.396 2.494 10 0 CEAERO Cc1ccc(N)cc1NC(=O)CC[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000092081270 180319619 /nfs/dbraw/zinc/31/96/19/180319619.db2.gz KHIOVNOZWIZZJI-CHWSQXEVSA-N 1 0 275.396 2.494 10 0 CEAERO Cc1c(N)cccc1NC(=O)CC[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000092081727 180319903 /nfs/dbraw/zinc/31/99/03/180319903.db2.gz CZGFLZWWUQOEKA-VXGBXAGGSA-N 1 0 275.396 2.494 10 0 CEAERO COc1cc(OC)cc([C@H](C[NH3+])N2C[C@H](C)[C@@H](C)C2)c1 ZINC000092083390 180320070 /nfs/dbraw/zinc/32/00/70/180320070.db2.gz ZVTJGNKCEKXMSN-MKBNYLNASA-N 1 0 278.396 2.291 10 0 CEAERO C[C@H]1C[NH+](CCOc2ccc(C(N)=S)cc2)C[C@@H]1C ZINC000092085485 180320368 /nfs/dbraw/zinc/32/03/68/180320368.db2.gz GZKBEYMBTLYGTQ-RYUDHWBXSA-N 1 0 278.421 2.287 10 0 CEAERO C[NH2+]Cc1c(N2C[C@@H](C)[C@H](C)C2)nc2ccccn21 ZINC000092086729 180320498 /nfs/dbraw/zinc/32/04/98/180320498.db2.gz RCFNSYWZGYLQAY-VXGBXAGGSA-N 1 0 258.369 2.146 10 0 CEAERO CCC[NH2+][C@](C)(C[C@H](C)[N@@H+]1C[C@H](C)[C@H](C)C1)C(=O)[O-] ZINC000092087749 180321286 /nfs/dbraw/zinc/32/12/86/180321286.db2.gz HGSLFOLVQFADHO-SFDCQRBFSA-N 1 0 270.417 2.196 10 0 CEAERO CCCN[C@](C)(C[C@H](C)[N@@H+]1C[C@H](C)[C@H](C)C1)C(=O)OC ZINC000092087611 180321607 /nfs/dbraw/zinc/32/16/07/180321607.db2.gz RKIFJTIUPSKZFY-KNCOVGOOSA-N 1 0 284.444 2.284 10 0 CEAERO CCOc1ccc(OCC)c(NC(=O)[C@H]2C=C[C@H]([NH3+])C2)c1 ZINC000092201264 180342898 /nfs/dbraw/zinc/34/28/98/180342898.db2.gz OPHDJNPVYDOAPE-RYUDHWBXSA-N 1 0 290.363 2.326 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2ccccc2OC(F)F)C1 ZINC000092201879 180342957 /nfs/dbraw/zinc/34/29/57/180342957.db2.gz SRVMULAFKNXWTN-RKDXNWHRSA-N 1 0 268.263 2.130 10 0 CEAERO Cc1c(Cl)cccc1NC(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092201207 180342999 /nfs/dbraw/zinc/34/29/99/180342999.db2.gz ZWLHFCVBPXQQFS-VHSXEESVSA-N 1 0 250.729 2.490 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)Nc2cccc(Cl)c2F)C1 ZINC000092201822 180343058 /nfs/dbraw/zinc/34/30/58/180343058.db2.gz GOESIJTUKKRLRV-JGVFFNPUSA-N 1 0 254.692 2.321 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)N(Cc2ccccc2F)C2CC2)C1 ZINC000092204592 180343875 /nfs/dbraw/zinc/34/38/75/180343875.db2.gz SNOGHIPAAJJMEF-YPMHNXCESA-N 1 0 274.339 2.220 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)c(C)c1 ZINC000092204092 180343916 /nfs/dbraw/zinc/34/39/16/180343916.db2.gz XLZIOUHQBIWZIN-MELADBBJSA-N 1 0 258.365 2.384 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)NCc2ccc(C(F)(F)F)cc2)C1 ZINC000092207426 180344085 /nfs/dbraw/zinc/34/40/85/180344085.db2.gz LVPWIGMJHXRTHD-ZYHUDNBSSA-N 1 0 284.281 2.225 10 0 CEAERO CCN(Cc1cccc(C)c1)C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092204934 180344253 /nfs/dbraw/zinc/34/42/53/180344253.db2.gz QVPRBFYMKOAORP-HUUCEWRRSA-N 1 0 258.365 2.247 10 0 CEAERO C[C@@H]1CCN(C(=O)[C@@H]2CSc3ccccc32)C[C@H]1[NH3+] ZINC000092239528 180350878 /nfs/dbraw/zinc/35/08/78/180350878.db2.gz IORRILJJWWUWNJ-RAIGVLPGSA-N 1 0 276.405 2.072 10 0 CEAERO COC(=O)[C@@H](C)C[N@H+](C)C[C@@H]1Cc2ccccc2S1 ZINC000092270223 180355510 /nfs/dbraw/zinc/35/55/10/180355510.db2.gz KRHUJAPZQMZGSC-AAEUAGOBSA-N 1 0 279.405 2.444 10 0 CEAERO C[C@@H](C(N)=S)[N@H+](C)C[C@@H]1CSc2ccccc21 ZINC000092275957 180356609 /nfs/dbraw/zinc/35/66/09/180356609.db2.gz XHQCEHQGWINQED-VHSXEESVSA-N 1 0 266.435 2.482 10 0 CEAERO Cc1nccc(C[NH2+]C[C@H]2COc3ccccc32)n1 ZINC000092299836 180358601 /nfs/dbraw/zinc/35/86/01/180358601.db2.gz WMOUFEJDLWMYBH-LBPRGKRZSA-N 1 0 255.321 2.051 10 0 CEAERO CN1CCCC[C@H]1C[NH2+]C[C@@H]1COc2ccccc21 ZINC000092300444 180358712 /nfs/dbraw/zinc/35/87/12/180358712.db2.gz DULIPHATGGMBAE-KGLIPLIRSA-N 1 0 260.381 2.237 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1C[C@@H]1COc2ccccc21 ZINC000092302579 180359241 /nfs/dbraw/zinc/35/92/41/180359241.db2.gz UGHMNCZQKGCZPC-ZIAGYGMSSA-N 1 0 260.381 2.237 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](c2nc(CCOc3ccccc3)no2)C1 ZINC000092181163 180338178 /nfs/dbraw/zinc/33/81/78/180338178.db2.gz PKZLDWJZARZLMK-NEPJUHHUSA-N 1 0 271.320 2.062 10 0 CEAERO COc1cccc(Cc2noc([C@@H]3C=C[C@@H]([NH3+])C3)n2)c1 ZINC000092181534 180338735 /nfs/dbraw/zinc/33/87/35/180338735.db2.gz SRFFHGNTKOATCB-VXGBXAGGSA-N 1 0 271.320 2.040 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](c2nc(CCc3ccccc3)no2)C1 ZINC000092181548 180338773 /nfs/dbraw/zinc/33/87/73/180338773.db2.gz RRTJKYJIDHEWPQ-OLZOCXBDSA-N 1 0 255.321 2.226 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](c2nc(COc3ccccc3)no2)C1 ZINC000092181739 180338898 /nfs/dbraw/zinc/33/88/98/180338898.db2.gz FBEJWKMDIGBBCQ-MNOVXSKESA-N 1 0 257.293 2.019 10 0 CEAERO CC[NH2+]C[C@@H](C)Cc1c(C)nn(-c2ccc(C)nn2)c1C ZINC000092322912 180362165 /nfs/dbraw/zinc/36/21/65/180362165.db2.gz FNVKOHBXOFZKQO-NSHDSACASA-N 1 0 287.411 2.376 10 0 CEAERO COc1ccc(OCC[NH2+]CC(C)(C)N(C)C)cc1 ZINC000105957543 186094817 /nfs/dbraw/zinc/09/48/17/186094817.db2.gz APFHPBJXIDYWRC-UHFFFAOYSA-N 1 0 266.385 2.004 10 0 CEAERO CC[C@@H]([NH2+]C1C2CC3CC(C2)CC1C3)C(=O)OC ZINC000105994123 186096406 /nfs/dbraw/zinc/09/64/06/186096406.db2.gz YNAYOJGGGFLVKO-RVARXAPGSA-N 1 0 251.370 2.352 10 0 CEAERO Cc1noc(C)c1[C@@H](C)NC(=O)c1ccc(CC[NH3+])cc1 ZINC000092329492 180363774 /nfs/dbraw/zinc/36/37/74/180363774.db2.gz NZCSJSHWFMIDGQ-SNVBAGLBSA-N 1 0 287.363 2.284 10 0 CEAERO Cc1noc(C)c1[C@H](C)NC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000092329975 180363843 /nfs/dbraw/zinc/36/38/43/180363843.db2.gz BWJCGXRUXKGEEW-GWCFXTLKSA-N 1 0 279.384 2.391 10 0 CEAERO Cc1nn(C)c(C)c1C[NH2+]CCC[C@H]1CCCO1 ZINC000092330671 180364036 /nfs/dbraw/zinc/36/40/36/180364036.db2.gz LZIKEXYNDMQTDI-ZDUSSCGKSA-N 1 0 251.374 2.086 10 0 CEAERO Cc1noc(C)c1[C@H](C)[NH2+]C[C@@H](O)COC(C)(C)C ZINC000092339409 180365218 /nfs/dbraw/zinc/36/52/18/180365218.db2.gz BFDCCPSEFHYXBA-JOYOIKCWSA-N 1 0 270.373 2.118 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C2CC2)CN1Cc1c(C)noc1C ZINC000092342635 180366159 /nfs/dbraw/zinc/36/61/59/180366159.db2.gz GUQZKIJGOQBEJH-DZGCQCFKSA-N 1 0 263.385 2.254 10 0 CEAERO CCCNC(=O)[C@@H](C[NH3+])Cc1cc(C)nc2ccccc12 ZINC000092344563 180366586 /nfs/dbraw/zinc/36/65/86/180366586.db2.gz DYMBNULFPPGAFZ-CQSZACIVSA-N 1 0 285.391 2.187 10 0 CEAERO Cc1nnc(SCc2ccnc3ccccc23)n1CC[NH3+] ZINC000092348253 180367164 /nfs/dbraw/zinc/36/71/64/180367164.db2.gz COOGWGHDACFNBL-UHFFFAOYSA-N 1 0 299.403 2.386 10 0 CEAERO NNc1cccc(CN2CC[C@@H](c3ccccc3)C2)[nH+]1 ZINC000092369274 180369690 /nfs/dbraw/zinc/36/96/90/180369690.db2.gz AZZWICLTSXVGJV-CQSZACIVSA-N 1 0 268.364 2.357 10 0 CEAERO CCCNc1cccc(CN2CCC[N@H+](C)CC2)n1 ZINC000092368183 180370342 /nfs/dbraw/zinc/37/03/42/180370342.db2.gz DJOJKCLOZDLUDH-UHFFFAOYSA-N 1 0 262.401 2.041 10 0 CEAERO CC[C@H](O)C[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000106384894 186111981 /nfs/dbraw/zinc/11/19/81/186111981.db2.gz HTPBKYGAEGXJAG-RYUDHWBXSA-N 1 0 254.399 2.402 10 0 CEAERO CCNc1cccc(CN2CCC[C@H]([NH+](C)C)C2)n1 ZINC000092371272 180370520 /nfs/dbraw/zinc/37/05/20/180370520.db2.gz NKRYZSQYNZVFBS-AWEZNQCLSA-N 1 0 262.401 2.039 10 0 CEAERO CN(Cc1ccco1)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106426360 186117016 /nfs/dbraw/zinc/11/70/16/186117016.db2.gz BFSOGXXQJDCUAH-INIZCTEOSA-N 1 0 286.375 2.411 10 0 CEAERO CC(C)[C@H](C)NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106428769 186116381 /nfs/dbraw/zinc/11/63/81/186116381.db2.gz LCPUVGZKRYMKMR-ZFWWWQNUSA-N 1 0 262.397 2.320 10 0 CEAERO CCc1nc(-c2ccccn2)nc(CC)c1CC[NH3+] ZINC000092308331 180361019 /nfs/dbraw/zinc/36/10/19/180361019.db2.gz KMVJXCBAGDPNRY-UHFFFAOYSA-N 1 0 256.353 2.165 10 0 CEAERO COC[C@@H]1CC[N@@H+]([C@@H]2CCc3ccc(OC)cc3[C@@H]2O)C1 ZINC000092387999 180374675 /nfs/dbraw/zinc/37/46/75/180374675.db2.gz GYCGCWBURHBPQZ-JLZZUVOBSA-N 1 0 291.391 2.012 10 0 CEAERO CC(C)[C@H](CO)[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000092393176 180375936 /nfs/dbraw/zinc/37/59/36/180375936.db2.gz VNCUZPDYSOXRRH-AAEUAGOBSA-N 1 0 261.369 2.241 10 0 CEAERO CNc1cc[nH+]c(Cn2ccc(C(F)(F)F)n2)c1 ZINC000092419742 180382592 /nfs/dbraw/zinc/38/25/92/180382592.db2.gz MYSCLTZWCWUXJX-UHFFFAOYSA-N 1 0 256.231 2.387 10 0 CEAERO COc1cc(C[NH3+])ccc1OCc1cccc(C)n1 ZINC000092426858 180383100 /nfs/dbraw/zinc/38/31/00/180383100.db2.gz AZCPYRYEHNTULM-UHFFFAOYSA-N 1 0 258.321 2.436 10 0 CEAERO COc1ccc2c(c1)[C@H](N)[C@@H]([N@H+](C)C1CCOCC1)CC2 ZINC000092385607 180373728 /nfs/dbraw/zinc/37/37/28/180373728.db2.gz YFRSZJZYCISSMA-IRXDYDNUSA-N 1 0 290.407 2.121 10 0 CEAERO C[NH2+][C@H]1c2cc(OC)ccc2CC[C@H]1N1CCCC1 ZINC000092385067 180373811 /nfs/dbraw/zinc/37/38/11/180373811.db2.gz NOAZJYQHAPPLLW-CVEARBPZSA-N 1 0 260.381 2.366 10 0 CEAERO Cc1cccc(CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)n1 ZINC000106908997 186150259 /nfs/dbraw/zinc/15/02/59/186150259.db2.gz CIFSYFIRPVUYSK-QGZVFWFLSA-N 1 0 297.402 2.179 10 0 CEAERO CC[NH2+][C@@H]1c2cc(OC)ccc2CC[C@@H]1N(C)CCOC ZINC000092385706 180373997 /nfs/dbraw/zinc/37/39/97/180373997.db2.gz XQOFVVFOVTTYMD-DLBZAZTESA-N 1 0 292.423 2.239 10 0 CEAERO COCCC[N@H+](C)[C@@]1(CN)CCCc2ccc(OC)cc21 ZINC000092384760 180374133 /nfs/dbraw/zinc/37/41/33/180374133.db2.gz MEKPQJDZXZZRND-QGZVFWFLSA-N 1 0 292.423 2.154 10 0 CEAERO Cc1csc([C@H](C)[NH2+]CCNCC(F)(F)F)n1 ZINC000092435281 180384827 /nfs/dbraw/zinc/38/48/27/180384827.db2.gz MCRCPPPSMQRIET-QMMMGPOBSA-N 1 0 267.320 2.254 10 0 CEAERO C[C@H]1CN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CCS1 ZINC000106917640 186151456 /nfs/dbraw/zinc/15/14/56/186151456.db2.gz AOLIUCPBEHOPQS-ZFWWWQNUSA-N 1 0 292.448 2.123 10 0 CEAERO C[C@H]1C[C@@H]([NH3+])Cn2cc(-c3ccc4c(c3)OCO4)nc21 ZINC000107827786 186194213 /nfs/dbraw/zinc/19/42/13/186194213.db2.gz GMUYDFTUVYCKDC-GXSJLCMTSA-N 1 0 271.320 2.113 10 0 CEAERO CC(C)[C@H]([NH3+])[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000092598485 180411105 /nfs/dbraw/zinc/41/11/05/180411105.db2.gz FOPJYJKVXWLQQT-RISCZKNCSA-N 1 0 284.425 2.024 10 0 CEAERO C[C@@H]([NH2+][C@H]1CC(=O)N(C2CCCC2)C1=O)c1ccsc1 ZINC000108291666 186211407 /nfs/dbraw/zinc/21/14/07/186211407.db2.gz NHYAWKVMMBSGTG-MFKMUULPSA-N 1 0 292.404 2.469 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cccc(N)c1 ZINC000092633765 180423343 /nfs/dbraw/zinc/42/33/43/180423343.db2.gz OZDYSFUWEYDGTL-AWEZNQCLSA-N 1 0 276.384 2.217 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)c1nc(Cl)nc(Cl)n1 ZINC000092665167 180426942 /nfs/dbraw/zinc/42/69/42/180426942.db2.gz PLZIWBRUSOVUOO-MRVPVSSYSA-N 1 0 290.198 2.099 10 0 CEAERO CCCCCN1CC[NH+]([C@@H](CCC)C(N)=S)CC1 ZINC000109470313 186255398 /nfs/dbraw/zinc/25/53/98/186255398.db2.gz FGZMTOLHVHQILE-ZDUSSCGKSA-N 1 0 271.474 2.249 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1c(C)cccc1O ZINC000625969568 350616285 /nfs/dbraw/zinc/61/62/85/350616285.db2.gz KAHSVQQTNBJEFO-CYBMUJFWSA-N 1 0 276.380 2.257 10 0 CEAERO C[NH2+][C@@H](Cc1nc(Cc2ccccc2)no1)C1CC1 ZINC000109497194 186256472 /nfs/dbraw/zinc/25/64/72/186256472.db2.gz ZQOLJIWEUBTDNH-ZDUSSCGKSA-N 1 0 257.337 2.201 10 0 CEAERO C[NH2+][C@H](C)[C@@H](c1nc(-c2ccccn2)no1)C(C)C ZINC000109497509 186257079 /nfs/dbraw/zinc/25/70/79/186257079.db2.gz BHRUQVYAZCDPBJ-PWSUYJOCSA-N 1 0 260.341 2.479 10 0 CEAERO CCC[NH2+][C@H]1CCCCC[C@@H]1c1nc(-c2nc[nH]n2)no1 ZINC000109499961 186257093 /nfs/dbraw/zinc/25/70/93/186257093.db2.gz QEGAAXDPCCUXML-QWRGUYRKSA-N 1 0 290.371 2.271 10 0 CEAERO CCC[NH2+][C@@H](C)[C@H](C)c1nc(-c2ncccn2)no1 ZINC000109505566 186257227 /nfs/dbraw/zinc/25/72/27/186257227.db2.gz LQOUQEDVNZMREY-UWVGGRQHSA-N 1 0 261.329 2.018 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1c1nc(Cc2ccc(F)cc2)no1 ZINC000109501333 186257300 /nfs/dbraw/zinc/25/73/00/186257300.db2.gz KEGVGDOQSTVDEX-RYUDHWBXSA-N 1 0 261.300 2.394 10 0 CEAERO COc1ccccc1-c1noc(C[C@@H]([NH3+])C(C)C)n1 ZINC000109503632 186257431 /nfs/dbraw/zinc/25/74/31/186257431.db2.gz SHAIFDNNZRDTNK-LLVKDONJSA-N 1 0 261.325 2.271 10 0 CEAERO CCC[NH2+][C@@H](COC)Cc1nc(-c2ccc(F)cc2)no1 ZINC000109502698 186257518 /nfs/dbraw/zinc/25/75/18/186257518.db2.gz NFDVFBCUCVGHKE-CYBMUJFWSA-N 1 0 293.342 2.433 10 0 CEAERO CC[NH2+][C@H](C)[C@@H](c1nc(-c2ncccn2)no1)C(C)C ZINC000109505577 186257841 /nfs/dbraw/zinc/25/78/41/186257841.db2.gz LYEQYHAJGFUDLJ-MNOVXSKESA-N 1 0 275.356 2.264 10 0 CEAERO C[NH2+][C@H]1CCCC[C@@H]1c1nc(Cc2ccncc2)no1 ZINC000109509137 186257987 /nfs/dbraw/zinc/25/79/87/186257987.db2.gz LBFPYKBEFJXFHM-STQMWFEESA-N 1 0 272.352 2.301 10 0 CEAERO CCC[NH2+][C@H](C)[C@@H](C)c1nc(COCCC)no1 ZINC000109519868 186258771 /nfs/dbraw/zinc/25/87/71/186258771.db2.gz AAJVPDNFVWSKKA-GHMZBOCLSA-N 1 0 255.362 2.488 10 0 CEAERO CCC[NH2+][C@H](C)[C@H](CC)c1nc(CCOC)no1 ZINC000109517052 186258808 /nfs/dbraw/zinc/25/88/08/186258808.db2.gz UKZBXUFFSSGQBF-MNOVXSKESA-N 1 0 255.362 2.140 10 0 CEAERO CC[NH2+][C@@H](Cc1nc(CC(F)(F)F)no1)C(C)C ZINC000109517332 186259247 /nfs/dbraw/zinc/25/92/47/186259247.db2.gz RCSYTAOKLQYEBM-QMMMGPOBSA-N 1 0 265.279 2.351 10 0 CEAERO NNc1[nH+]c(-c2cccc(O)c2)nc2c1CCCCC2 ZINC000109522519 186259264 /nfs/dbraw/zinc/25/92/64/186259264.db2.gz ZYRWOZZXEBHCKZ-UHFFFAOYSA-N 1 0 270.336 2.404 10 0 CEAERO CCC1(CC)CC(=O)N(Cc2ccc(C[NH3+])cc2F)C1=O ZINC000109540563 186261136 /nfs/dbraw/zinc/26/11/36/186261136.db2.gz FTSJKFYLAAXENP-UHFFFAOYSA-N 1 0 292.354 2.350 10 0 CEAERO C[NH2+]Cc1cc(N2CCC[N@H+](C)CC2)c2ccccc2n1 ZINC000109587670 186264189 /nfs/dbraw/zinc/26/41/89/186264189.db2.gz XZPFDALHRPBEIG-UHFFFAOYSA-N 1 0 284.407 2.096 10 0 CEAERO C[NH2+][C@H]1c2ccc(OCc3ccccc3)cc2NC1=O ZINC000109573528 186264431 /nfs/dbraw/zinc/26/44/31/186264431.db2.gz BMPSSODZWAFEBO-HNNXBMFYSA-N 1 0 268.316 2.478 10 0 CEAERO CN(Cc1c(F)c(F)c(F)c(F)c1F)[C@@H]1CC[NH2+]C1 ZINC000109387052 186250093 /nfs/dbraw/zinc/25/00/93/186250093.db2.gz ZGZVDHUZECMKOF-ZCFIWIBFSA-N 1 0 280.240 2.176 10 0 CEAERO C[N@H+](CCc1ccccn1)Cc1c(N)cccc1F ZINC000109427095 186251564 /nfs/dbraw/zinc/25/15/64/186251564.db2.gz PHKCHAXSOQYNDS-UHFFFAOYSA-N 1 0 259.328 2.477 10 0 CEAERO CCc1ccc(CN2CC[NH+]([C@@H](C)C(N)=S)CC2)cc1 ZINC000109468057 186253596 /nfs/dbraw/zinc/25/35/96/186253596.db2.gz BETHGYGGJHYWMW-ZDUSSCGKSA-N 1 0 291.464 2.041 10 0 CEAERO CCC[C@@H](C)C(=O)N1CC[NH+]([C@@H](CCC)C(N)=S)CC1 ZINC000109464269 186254009 /nfs/dbraw/zinc/25/40/09/186254009.db2.gz BRWQPEPXLCQQCE-OLZOCXBDSA-N 1 0 299.484 2.022 10 0 CEAERO C[C@H](C(N)=S)[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000109468838 186254384 /nfs/dbraw/zinc/25/43/84/186254384.db2.gz GOUZQCNJKPMFSB-LLVKDONJSA-N 1 0 297.855 2.132 10 0 CEAERO C[C@H](c1noc(-c2ccc(Cl)cc2)n1)N1CC[NH2+]CC1 ZINC000109473924 186254640 /nfs/dbraw/zinc/25/46/40/186254640.db2.gz WPCBHRIRMAFWQB-SNVBAGLBSA-N 1 0 292.770 2.356 10 0 CEAERO Cc1cc(C)c(-c2nc(CN3CC[NH2+]CC3)no2)c(C)c1 ZINC000109473206 186255013 /nfs/dbraw/zinc/25/50/13/186255013.db2.gz MTLSBOIPTPMLGF-UHFFFAOYSA-N 1 0 286.379 2.067 10 0 CEAERO Cc1ccc(F)cc1-c1nc([C@@H](C)N2CC[NH2+]CC2)no1 ZINC000109474289 186255243 /nfs/dbraw/zinc/25/52/43/186255243.db2.gz ZGUPEHVKYGCESX-LLVKDONJSA-N 1 0 290.342 2.150 10 0 CEAERO CCC[C@@H](c1nccc(C(C)C)n1)N1CC[NH2+]CC1 ZINC000109475986 186255360 /nfs/dbraw/zinc/25/53/60/186255360.db2.gz UYXLNXBBBPMOLJ-AWEZNQCLSA-N 1 0 262.401 2.346 10 0 CEAERO C[NH2+][C@](C)(CCC[N@H+](CCC(C)C)C1CC1)C(=O)[O-] ZINC000109999688 186282107 /nfs/dbraw/zinc/28/21/07/186282107.db2.gz GSVQZKNXDVUVGZ-OAHLLOKOSA-N 1 0 270.417 2.340 10 0 CEAERO O[C@@H]1CCCc2nc(N3CC[C@@H]([NH+]4CCCC4)C3)sc21 ZINC000110271619 186289684 /nfs/dbraw/zinc/28/96/84/186289684.db2.gz QUYVWXGJEFGSSR-DGCLKSJQSA-N 1 0 293.436 2.187 10 0 CEAERO CCC[NH2+][C@H](CC)[C@H](C)c1nc(CCOC)no1 ZINC000110470539 186297924 /nfs/dbraw/zinc/29/79/24/186297924.db2.gz MNDCQAQZPQYEIT-WDEREUQCSA-N 1 0 255.362 2.140 10 0 CEAERO C[C@@](O)(c1ccc(F)c(F)c1F)[C@@H]1CCC[NH2+]C1 ZINC000110552280 186303105 /nfs/dbraw/zinc/30/31/05/186303105.db2.gz FTUVLDWGGNXOPJ-OQPBUACISA-N 1 0 259.271 2.311 10 0 CEAERO C[C@H](NC(=O)Cc1ccc(C[NH3+])cc1)c1ccco1 ZINC000110612105 186304960 /nfs/dbraw/zinc/30/49/60/186304960.db2.gz NAUPEJFGTXEXEK-NSHDSACASA-N 1 0 258.321 2.158 10 0 CEAERO COc1ccc(CNC(=O)Cc2ccc(C[NH3+])cc2)cc1 ZINC000110611870 186305603 /nfs/dbraw/zinc/30/56/03/186305603.db2.gz HCRFAIBLYULGRI-UHFFFAOYSA-N 1 0 284.359 2.013 10 0 CEAERO COc1cc2c(cc1F)[nH]c(=S)n2[C@@H]1CC[N@H+](C)C1 ZINC000110628649 186306227 /nfs/dbraw/zinc/30/62/27/186306227.db2.gz YTVOLQXFDNQQCP-MRVPVSSYSA-N 1 0 281.356 2.349 10 0 CEAERO COc1cc(N[C@H](C[NH+](C)C)C(C)C)c(N)cc1F ZINC000110626910 186306305 /nfs/dbraw/zinc/30/63/05/186306305.db2.gz GDTXIQWDSLVVFD-CYBMUJFWSA-N 1 0 269.364 2.415 10 0 CEAERO C[C@H](CNc1cc(OC(F)F)c(F)cc1N)[NH+](C)C ZINC000110640501 186307410 /nfs/dbraw/zinc/30/74/10/186307410.db2.gz RZPOTVHDQPVZQK-SSDOTTSWSA-N 1 0 277.290 2.371 10 0 CEAERO COc1cc2c(cc1F)[nH+]c(N)n2CC[C@@H]1CCCO1 ZINC000110629930 186307480 /nfs/dbraw/zinc/30/74/80/186307480.db2.gz DDEGSNDCOHUEGB-VIFPVBQESA-N 1 0 279.315 2.335 10 0 CEAERO C[NH+]1CCC(Oc2cc(OC(F)F)c(F)cc2N)CC1 ZINC000110642866 186308688 /nfs/dbraw/zinc/30/86/88/186308688.db2.gz CUAPSGKYAZKAFC-UHFFFAOYSA-N 1 0 290.285 2.482 10 0 CEAERO CC(C)n1cc(Cl)cc1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000110796220 186325265 /nfs/dbraw/zinc/32/52/65/186325265.db2.gz HQMGPQFXMUXHMO-LLVKDONJSA-N 1 0 283.803 2.452 10 0 CEAERO CC[NH2+][C@@H](CO)c1ccc(OC)c(OC)c1Cl ZINC000110831564 186328121 /nfs/dbraw/zinc/32/81/21/186328121.db2.gz BASCBJRZRQWISE-VIFPVBQESA-N 1 0 259.733 2.000 10 0 CEAERO CCN[C@](C)(CCC[N@H+](C)CC1CCCC1)C(=O)OC ZINC000110840797 186328742 /nfs/dbraw/zinc/32/87/42/186328742.db2.gz IZKRSUPYPZHNMU-MRXNPFEDSA-N 1 0 284.444 2.430 10 0 CEAERO COc1ccccc1[C@@H](C[NH3+])Sc1cnccn1 ZINC000110912566 186333019 /nfs/dbraw/zinc/33/30/19/186333019.db2.gz UONSNGRPFNQQRP-GFCCVEGCSA-N 1 0 261.350 2.277 10 0 CEAERO CC(C)[C@@H](CN(C)C)[NH2+]Cc1[nH]nnc1-c1ccccc1 ZINC000110925167 186333701 /nfs/dbraw/zinc/33/37/01/186333701.db2.gz JNQQDBRMEQBOLY-OAHLLOKOSA-N 1 0 287.411 2.148 10 0 CEAERO Cc1ccc(-c2nc(CN(C)[C@@H]3CCC[NH2+]C3)no2)cc1 ZINC000110930653 186333943 /nfs/dbraw/zinc/33/39/43/186333943.db2.gz AOHZGRBMHFQJOM-CQSZACIVSA-N 1 0 286.379 2.229 10 0 CEAERO CCN(CC(=O)Nc1c(C)cccc1C)[C@@H]1CCC[NH2+]C1 ZINC000110942989 186334597 /nfs/dbraw/zinc/33/45/97/186334597.db2.gz IWBOLQWUVFIFFP-OAHLLOKOSA-N 1 0 289.423 2.316 10 0 CEAERO CCCN(c1cc(C)cc2ncnn21)[C@H]1CCC[NH2+]C1 ZINC000110948251 186335379 /nfs/dbraw/zinc/33/53/79/186335379.db2.gz GUVTUGRDTIGDPM-ZDUSSCGKSA-N 1 0 273.384 2.006 10 0 CEAERO CCCN(Cc1occc1C(=O)OC)[C@@H]1CCC[NH2+]C1 ZINC000110945491 186335876 /nfs/dbraw/zinc/33/58/76/186335876.db2.gz QWTZNMPXMQBDHY-GFCCVEGCSA-N 1 0 280.368 2.030 10 0 CEAERO CCN(C(=O)COc1cc(C)ccc1[C@H](C)[NH3+])C1CC1 ZINC000110958296 186336939 /nfs/dbraw/zinc/33/69/39/186336939.db2.gz FOMOZCCHCYZKJH-LBPRGKRZSA-N 1 0 276.380 2.404 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(C)cc1OCC(=O)N(C)C ZINC000110960918 186337657 /nfs/dbraw/zinc/33/76/57/186337657.db2.gz AUXXITGYNYVONS-GFCCVEGCSA-N 1 0 264.369 2.133 10 0 CEAERO COCCN([C@H](C[NH3+])c1ccc(C)c(F)c1)C1CC1 ZINC000110977492 186339109 /nfs/dbraw/zinc/33/91/09/186339109.db2.gz FKUXINIJHQKZOP-OAHLLOKOSA-N 1 0 266.360 2.245 10 0 CEAERO CC[NH2+]Cc1c(C)nn(C)c1Oc1ccccc1CO ZINC000110994252 186340613 /nfs/dbraw/zinc/34/06/13/186340613.db2.gz AKMPJAUTLMTVIN-UHFFFAOYSA-N 1 0 275.352 2.123 10 0 CEAERO CC[C@H]1CN(C(=O)c2ccc(NC)c(C)c2)CC[N@@H+]1C ZINC000110697081 186314021 /nfs/dbraw/zinc/31/40/21/186314021.db2.gz UOBFVDKGVBTVHC-AWEZNQCLSA-N 1 0 275.396 2.203 10 0 CEAERO CC[C@H]1CN(CCC(=O)c2ccccc2F)CC[N@@H+]1C ZINC000110744040 186318873 /nfs/dbraw/zinc/31/88/73/186318873.db2.gz RYKUEVCSZLKAAF-ZDUSSCGKSA-N 1 0 278.371 2.425 10 0 CEAERO C[N@@H+]1CCN(CCC(=O)c2ccccc2F)CC1(C)C ZINC000110744213 186319249 /nfs/dbraw/zinc/31/92/49/186319249.db2.gz VLIBCTLGAZJTCN-UHFFFAOYSA-N 1 0 278.371 2.425 10 0 CEAERO CCOC(=O)c1cc(C)sc1NC(=O)[C@](C)([NH3+])C1CC1 ZINC000110777788 186324418 /nfs/dbraw/zinc/32/44/18/186324418.db2.gz XBQSWNLPERODJT-CQSZACIVSA-N 1 0 296.392 2.299 10 0 CEAERO Cc1nc(C[NH3+])sc1-c1nc(C2CCCC2)n[nH]1 ZINC000110791171 186324588 /nfs/dbraw/zinc/32/45/88/186324588.db2.gz LRUCNSJHCMFQPM-UHFFFAOYSA-N 1 0 263.370 2.353 10 0 CEAERO CCOc1cc(N2CCC(C[NH+](C)C)CC2)ccc1N ZINC000111053316 186348396 /nfs/dbraw/zinc/34/83/96/186348396.db2.gz FDOWJIFRCBLMJM-UHFFFAOYSA-N 1 0 277.412 2.446 10 0 CEAERO CN(Cc1cccnc1)[C@H](C[NH3+])c1cccc(F)c1F ZINC000111039276 186346830 /nfs/dbraw/zinc/34/68/30/186346830.db2.gz DXWXHVGLVFAZJR-CQSZACIVSA-N 1 0 277.318 2.492 10 0 CEAERO NC(=[NH2+])c1cc(F)ccc1N(CCO)Cc1ccccc1 ZINC000111034532 186346833 /nfs/dbraw/zinc/34/68/33/186346833.db2.gz IGHPEPSBPMUUCG-UHFFFAOYSA-N 1 0 287.338 2.109 10 0 CEAERO Cc1cnccc1NC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000111043727 186347705 /nfs/dbraw/zinc/34/77/05/186347705.db2.gz RIXKBTSMLCSAFG-HNNXBMFYSA-N 1 0 267.332 2.216 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1ccco1)N(C)C[C@@H]1CCCOC1 ZINC000111154940 186361224 /nfs/dbraw/zinc/36/12/24/186361224.db2.gz MKILUPZQWPGNAL-DYEKYZERSA-N 1 0 252.358 2.026 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccco1)N(C)CC1CCOCC1 ZINC000111155868 186361607 /nfs/dbraw/zinc/36/16/07/186361607.db2.gz FCOZQLWLSNATLR-ZFWWWQNUSA-N 1 0 266.385 2.416 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1cccnc1)N(C)CC1CCOCC1 ZINC000111155728 186361617 /nfs/dbraw/zinc/36/16/17/186361617.db2.gz XAWOAFSTUMTNPT-JKSUJKDBSA-N 1 0 277.412 2.218 10 0 CEAERO C[N@H+](CC1CCOCC1)[C@@H](CN)C1CCCCC1 ZINC000111159288 186362262 /nfs/dbraw/zinc/36/22/62/186362262.db2.gz UZFIBJCHXIROTB-HNNXBMFYSA-N 1 0 254.418 2.252 10 0 CEAERO CN(C[C@@H]1CCCOC1)[C@@H](C[NH3+])c1c(F)cccc1F ZINC000111157974 186362281 /nfs/dbraw/zinc/36/22/81/186362281.db2.gz JTYOHPYEEAUDQC-FZMZJTMJSA-N 1 0 284.350 2.323 10 0 CEAERO COc1ccc([C@@H](CN)[N@H+](C)CC2CCOCC2)cc1C ZINC000111159862 186362389 /nfs/dbraw/zinc/36/23/89/186362389.db2.gz JBBZVDKEHYMORO-MRXNPFEDSA-N 1 0 292.423 2.362 10 0 CEAERO C[C@H](c1ccccc1)[C@H](CN)[N@H+](C)CC1CCOCC1 ZINC000111159895 186362757 /nfs/dbraw/zinc/36/27/57/186362757.db2.gz QEHYBDOWQHUADK-PBHICJAKSA-N 1 0 276.424 2.476 10 0 CEAERO CN(C[C@@H]1CCCOC1)[C@@H](C[NH3+])c1cc(F)ccc1F ZINC000111158226 186363128 /nfs/dbraw/zinc/36/31/28/186363128.db2.gz OLCGRFYNKULWCF-NHYWBVRUSA-N 1 0 284.350 2.323 10 0 CEAERO C[C@@H]([NH3+])c1ccc(NS(=O)(=O)C(C)(C)C)cc1 ZINC000111072183 186350850 /nfs/dbraw/zinc/35/08/50/186350850.db2.gz RUNXQKQVBKXRPR-SECBINFHSA-N 1 0 256.371 2.247 10 0 CEAERO CCC1CCC(C[NH3+])(NS(=O)(=O)C(C)(C)C)CC1 ZINC000111071227 186350948 /nfs/dbraw/zinc/35/09/48/186350948.db2.gz RNLUBUHHSISZMP-UHFFFAOYSA-N 1 0 276.446 2.002 10 0 CEAERO COc1ccc([C@@H](C[NH3+])Sc2ccncn2)cc1 ZINC000111113452 186353741 /nfs/dbraw/zinc/35/37/41/186353741.db2.gz XUELJNWNGRUPID-GFCCVEGCSA-N 1 0 261.350 2.277 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1ccncn1)c1ccncc1 ZINC000111113324 186353869 /nfs/dbraw/zinc/35/38/69/186353869.db2.gz XUIBHYDIAWLRLL-YPMHNXCESA-N 1 0 260.366 2.442 10 0 CEAERO CCOCC[N@H+](CC)CCC(=O)Nc1ccc(F)cc1N ZINC000111116501 186354017 /nfs/dbraw/zinc/35/40/17/186354017.db2.gz UVVLMCBLPDEPRA-UHFFFAOYSA-N 1 0 297.374 2.095 10 0 CEAERO CCOCC[N@H+](CC)CCCC(=O)Nc1cccc(N)c1 ZINC000111116696 186354033 /nfs/dbraw/zinc/35/40/33/186354033.db2.gz VUBKUWMJGJKKOS-UHFFFAOYSA-N 1 0 293.411 2.346 10 0 CEAERO COC(C[NH2+][C@H](C)Cc1ccccc1Cl)OC ZINC000111112040 186354041 /nfs/dbraw/zinc/35/40/41/186354041.db2.gz YKEMFEDLBFOWHO-SNVBAGLBSA-N 1 0 257.761 2.480 10 0 CEAERO CCOCC[N@H+](CC)CCCC(=O)Nc1ccccc1N ZINC000111117000 186355183 /nfs/dbraw/zinc/35/51/83/186355183.db2.gz LEULWPFRKZIJDO-UHFFFAOYSA-N 1 0 293.411 2.346 10 0 CEAERO CCOCCN(CC)C[C@H]([NH3+])c1ccc(OCC)cc1 ZINC000111118078 186355219 /nfs/dbraw/zinc/35/52/19/186355219.db2.gz AQTUJDBNXBGYFE-INIZCTEOSA-N 1 0 280.412 2.444 10 0 CEAERO CCOCCN(CC)C[C@H]1[NH2+]CCc2ccccc21 ZINC000111125467 186355779 /nfs/dbraw/zinc/35/57/79/186355779.db2.gz DZQLISRQCYTTHQ-MRXNPFEDSA-N 1 0 262.397 2.232 10 0 CEAERO Cc1ccc(C(=O)[C@H](C)N(C)CCC[NH+](C)C)cc1 ZINC000111139898 186358036 /nfs/dbraw/zinc/35/80/36/186358036.db2.gz UDALDEILEYNSBO-AWEZNQCLSA-N 1 0 262.397 2.450 10 0 CEAERO CCOc1ccc([C@H](C)O)cc1CN(C)CC[NH+](C)C ZINC000111143140 186358412 /nfs/dbraw/zinc/35/84/12/186358412.db2.gz ZGWBUDLSTJLKKG-ZDUSSCGKSA-N 1 0 280.412 2.132 10 0 CEAERO Cc1ccc([C@@H](O)[C@@H](C)N(C)CCC[NH+](C)C)cc1 ZINC000111143918 186358482 /nfs/dbraw/zinc/35/84/82/186358482.db2.gz ZULADHGJVIQDLU-ZBFHGGJFSA-N 1 0 264.413 2.300 10 0 CEAERO C[C@@H](O)c1cccc(NC(=O)N(C)CCC[NH+](C)C)c1 ZINC000111149587 186358824 /nfs/dbraw/zinc/35/88/24/186358824.db2.gz CTGCRINOXNHEQL-GFCCVEGCSA-N 1 0 279.384 2.155 10 0 CEAERO CCc1ccc([C@H](O)CN(C)CCC[NH+](C)C)cc1 ZINC000111143897 186358930 /nfs/dbraw/zinc/35/89/30/186358930.db2.gz QDFHJQFRUCUHAW-MRXNPFEDSA-N 1 0 264.413 2.166 10 0 CEAERO [NH3+][C@@H](c1noc([C@H]2CCOc3ccccc32)n1)C1CC1 ZINC000111189365 186367635 /nfs/dbraw/zinc/36/76/35/186367635.db2.gz JNKIXDQWYURISZ-WCQYABFASA-N 1 0 271.320 2.394 10 0 CEAERO C[NH2+]Cc1c(C)cc(C)nc1N(C)C[C@H]1CCCOC1 ZINC000111173852 186364599 /nfs/dbraw/zinc/36/45/99/186364599.db2.gz OPHBIGBIPFNUTJ-CQSZACIVSA-N 1 0 277.412 2.281 10 0 CEAERO C[C@@H]([NH3+])c1cnc(N(C)CC2CCOCC2)s1 ZINC000111177162 186364799 /nfs/dbraw/zinc/36/47/99/186364799.db2.gz LKWWPBOIMZNTCP-SECBINFHSA-N 1 0 255.387 2.026 10 0 CEAERO CN(CC1CCOCC1)c1nc2c(s1)[C@@H]([NH3+])CCC2 ZINC000111177184 186365183 /nfs/dbraw/zinc/36/51/83/186365183.db2.gz VUPMDYQXMUVGBT-NSHDSACASA-N 1 0 281.425 2.342 10 0 CEAERO CC(C)CC[NH2+]C[C@@H](C)N(C)C[C@@H]1CCCOC1 ZINC000111176118 186365873 /nfs/dbraw/zinc/36/58/73/186365873.db2.gz SFFMOOKJWCUQEW-CABCVRRESA-N 1 0 256.434 2.369 10 0 CEAERO CC(C)CN(CCC[NH3+])C(=O)[C@H]1CCOc2ccccc21 ZINC000111184215 186366098 /nfs/dbraw/zinc/36/60/98/186366098.db2.gz RJBZQJNVQQTIIG-HNNXBMFYSA-N 1 0 290.407 2.386 10 0 CEAERO C[N@H+](CC1CCOCC1)C[C@@H]1CNc2ccccc2O1 ZINC000111179303 186366525 /nfs/dbraw/zinc/36/65/25/186366525.db2.gz YNLGQHAFMHMFFR-AWEZNQCLSA-N 1 0 276.380 2.218 10 0 CEAERO NC[C@@H]([C@@H]1CCCOC1)[N@@H+]1CCCc2ccccc2C1 ZINC000111321251 186397296 /nfs/dbraw/zinc/39/72/96/186397296.db2.gz CHIPBBBWLACGJF-SJORKVTESA-N 1 0 274.408 2.189 10 0 CEAERO CN(Cc1cscn1)C[C@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111326264 186398088 /nfs/dbraw/zinc/39/80/88/186398088.db2.gz TZEVTUUNMZJKBH-OAHLLOKOSA-N 1 0 295.452 2.124 10 0 CEAERO C[NH2+]C[C@@]1(CN(Cc2ccco2)C2CC2)CCCOC1 ZINC000111328457 186399848 /nfs/dbraw/zinc/39/98/48/186399848.db2.gz QXPMHDLVTVHXPY-MRXNPFEDSA-N 1 0 278.396 2.260 10 0 CEAERO C[NH2+]C[C@]1(CN(Cc2ccco2)C2CC2)CCCOC1 ZINC000111328455 186399894 /nfs/dbraw/zinc/39/98/94/186399894.db2.gz QXPMHDLVTVHXPY-INIZCTEOSA-N 1 0 278.396 2.260 10 0 CEAERO Cc1nnc([C@@]2(C(F)(F)F)CC[NH2+]C2)n1C1CCCC1 ZINC000111241392 186374039 /nfs/dbraw/zinc/37/40/39/186374039.db2.gz CFGLXYAMOQJNSF-GFCCVEGCSA-N 1 0 288.317 2.495 10 0 CEAERO CCC[C@H](C)N(C)C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111243862 186375537 /nfs/dbraw/zinc/37/55/37/186375537.db2.gz KNESPJIXBBBORB-ONGXEEELSA-N 1 0 266.307 2.175 10 0 CEAERO Cc1c(Cl)cccc1NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000111262905 186380130 /nfs/dbraw/zinc/38/01/30/186380130.db2.gz DZOSLEJRWCQNQQ-PSASIEDQSA-N 1 0 252.745 2.442 10 0 CEAERO Cc1cc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)c2ccccc2n1 ZINC000111262973 186380389 /nfs/dbraw/zinc/38/03/89/186380389.db2.gz VARSBYYXRSQVMN-ZWNOBZJWSA-N 1 0 269.348 2.337 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000111263075 186381010 /nfs/dbraw/zinc/38/10/10/186381010.db2.gz CIQVRZXMFVYPCD-GZMMTYOYSA-N 1 0 272.270 2.499 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1cc(Cl)ccc1F ZINC000111263952 186381276 /nfs/dbraw/zinc/38/12/76/186381276.db2.gz UIBASSNFMWHSBO-IONNQARKSA-N 1 0 256.708 2.273 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC[C@@H]1c1ccccc1 ZINC000111264106 186381532 /nfs/dbraw/zinc/38/15/32/186381532.db2.gz QGQNIIJZHUJGQQ-AEGPPILISA-N 1 0 258.365 2.206 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)N(Cc1ccco1)CC(F)(F)F ZINC000111268144 186382541 /nfs/dbraw/zinc/38/25/41/186382541.db2.gz BXSROEKZRMMYLZ-ONGXEEELSA-N 1 0 290.285 2.026 10 0 CEAERO CCOc1cc(C)ccc1NC(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000111267586 186382734 /nfs/dbraw/zinc/38/27/34/186382734.db2.gz QPJQSYKRRKCZQJ-RYUDHWBXSA-N 1 0 262.353 2.188 10 0 CEAERO COc1ccc(CN(C(=O)[C@@H]2C[NH2+]C[C@@H]2C)C2CC2)cc1 ZINC000111268253 186382960 /nfs/dbraw/zinc/38/29/60/186382960.db2.gz RRCQWGPXSGLNHR-BLLLJJGKSA-N 1 0 288.391 2.042 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000111267544 186383433 /nfs/dbraw/zinc/38/34/33/186383433.db2.gz GZOXNSJRPDINOB-VXNVDRBHSA-N 1 0 288.269 2.221 10 0 CEAERO C[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1Cl ZINC000111271509 186383892 /nfs/dbraw/zinc/38/38/92/186383892.db2.gz UKCXSIMUVYQQTE-JFGNBEQYSA-N 1 0 266.772 2.373 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@@H]1Cc1ccccc1 ZINC000111268489 186384150 /nfs/dbraw/zinc/38/41/50/186384150.db2.gz YZPXNCXURBORRG-NUEKZKHPSA-N 1 0 272.392 2.076 10 0 CEAERO CCCOC(=O)c1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000111271394 186384340 /nfs/dbraw/zinc/38/43/40/186384340.db2.gz GMZTWJYZGJOYML-BXUZGUMPSA-N 1 0 290.363 2.047 10 0 CEAERO CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000111269287 186384465 /nfs/dbraw/zinc/38/44/65/186384465.db2.gz SIWRBUZKJJUTEQ-PWSUYJOCSA-N 1 0 282.334 2.169 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC(C(C)(C)C)CC1 ZINC000111272276 186385223 /nfs/dbraw/zinc/38/52/23/186385223.db2.gz WJDGCKYKXXOMGB-AAEUAGOBSA-N 1 0 252.402 2.127 10 0 CEAERO CCOC(=O)c1cc(C)sc1NC(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000111272981 186386020 /nfs/dbraw/zinc/38/60/20/186386020.db2.gz LZLXRQPHGUXDEL-KWQFWETISA-N 1 0 296.392 2.027 10 0 CEAERO C[C@@H](CCNC(=O)c1ccc(C[NH3+])cn1)c1ccccc1 ZINC000111282417 186389435 /nfs/dbraw/zinc/38/94/35/186389435.db2.gz ANUYMIKKSBAGJP-ZDUSSCGKSA-N 1 0 283.375 2.464 10 0 CEAERO COc1ccc(NC(=O)c2ccc(C[NH3+])cn2)c(C)c1 ZINC000111282392 186390050 /nfs/dbraw/zinc/39/00/50/186390050.db2.gz WPGXOTSHTMSYDS-UHFFFAOYSA-N 1 0 271.320 2.110 10 0 CEAERO CCc1c(Cl)ncnc1N[C@@H]1C[NH+]2CCC1CC2 ZINC000111295893 186391650 /nfs/dbraw/zinc/39/16/50/186391650.db2.gz IBCNKMDOZDXVLK-LLVKDONJSA-N 1 0 266.776 2.199 10 0 CEAERO CC(C)CN(C)c1nc2ccccn2c1C[C@H](C)[NH3+] ZINC000111490796 186423414 /nfs/dbraw/zinc/42/34/14/186423414.db2.gz AKPJKZFFAYLMFX-LBPRGKRZSA-N 1 0 260.385 2.316 10 0 CEAERO C[C@H]([NH3+])Cc1c(N(C)CC(F)(F)F)nc2ccccn21 ZINC000111495462 186423835 /nfs/dbraw/zinc/42/38/35/186423835.db2.gz QJWVJVBPUHLROO-VIFPVBQESA-N 1 0 286.301 2.223 10 0 CEAERO CC[C@H]([NH3+])Cc1cc(F)ccc1N(CCOC)CCOC ZINC000111509270 186424574 /nfs/dbraw/zinc/42/45/74/186424574.db2.gz VYKWSHNHTZQZTB-HNNXBMFYSA-N 1 0 298.402 2.205 10 0 CEAERO CCN(CCOC)c1c(F)cc(C[C@H](C)[NH3+])cc1F ZINC000111505747 186425347 /nfs/dbraw/zinc/42/53/47/186425347.db2.gz NUDPCWYPPKNFEK-JTQLQIEISA-N 1 0 272.339 2.327 10 0 CEAERO C[C@H](CC(=O)N1[C@H](C)C[C@@H]2C[NH2+]C[C@@H]21)C(C)(C)C ZINC000111652843 186437582 /nfs/dbraw/zinc/43/75/82/186437582.db2.gz ZTDJKSLWRWYDJC-LPWJVIDDSA-N 1 0 252.402 2.268 10 0 CEAERO CC[NH2+][C@@H](C)[C@@H]1CCCCN1[C@@H](C)C(=O)N1CCCCC1 ZINC000111711899 186449298 /nfs/dbraw/zinc/44/92/98/186449298.db2.gz WZDAVVSWXKEPFD-JYJNAYRXSA-N 1 0 295.471 2.240 10 0 CEAERO [NH3+][C@H](CNc1ncc(Br)cn1)c1ccccc1 ZINC000111751158 186452100 /nfs/dbraw/zinc/45/21/00/186452100.db2.gz YIWNULAOMXKEJU-LLVKDONJSA-N 1 0 293.168 2.351 10 0 CEAERO [NH3+]C[C@@H]1CCCN1C(=O)c1ccccc1C(F)(F)F ZINC000111366233 186406895 /nfs/dbraw/zinc/40/68/95/186406895.db2.gz LQCMMDDAJAVJOB-VIFPVBQESA-N 1 0 272.270 2.269 10 0 CEAERO CCC(CC)N(CC[NH3+])C(=O)[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000111368864 186408116 /nfs/dbraw/zinc/40/81/16/186408116.db2.gz VYUKXQNRLXFFEP-SCRDCRAPSA-N 1 0 252.402 2.399 10 0 CEAERO [NH3+]CCC[C@H]1CCCN1C(=O)c1cc(F)c(F)c(F)c1 ZINC000111370728 186408761 /nfs/dbraw/zinc/40/87/61/186408761.db2.gz UILGLMNCIYSOME-JTQLQIEISA-N 1 0 286.297 2.447 10 0 CEAERO Cc1cccc(S(=O)(=O)N[C@@]2(C[NH3+])CCC[C@H](C)C2)c1 ZINC000111373840 186409298 /nfs/dbraw/zinc/40/92/98/186409298.db2.gz JXHHBPMSKQWMRJ-ZFWWWQNUSA-N 1 0 296.436 2.181 10 0 CEAERO Cc1ccccc1[C@H](O)CC[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000111397086 186411807 /nfs/dbraw/zinc/41/18/07/186411807.db2.gz XHFBJXFSNHLXNJ-KJFZJZGVSA-N 1 0 275.392 2.406 10 0 CEAERO Cc1cc(=O)n(CC[NH2+]C2CCC(C)CC2)c(C)n1 ZINC000111402757 186414019 /nfs/dbraw/zinc/41/40/19/186414019.db2.gz PRGKGYCQKFDYPZ-UHFFFAOYSA-N 1 0 263.385 2.028 10 0 CEAERO C[NH2+]Cc1cc(O[C@H]2CCOC2)nc2ccccc12 ZINC000112635071 186511754 /nfs/dbraw/zinc/51/17/54/186511754.db2.gz RJIUZIZVKGUUPH-LBPRGKRZSA-N 1 0 258.321 2.122 10 0 CEAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1ccsc1C(F)(F)F ZINC000628468776 351109067 /nfs/dbraw/zinc/10/90/67/351109067.db2.gz YWPVQHXVHXBYLF-IUCAKERBSA-N 1 0 281.299 2.006 10 0 CEAERO CCN(CC1CC1)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000069972935 363015785 /nfs/dbraw/zinc/01/57/85/363015785.db2.gz AOPHLYWZJBSFEG-MRXNPFEDSA-N 1 0 274.408 2.418 10 0 CEAERO C[C@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)[C@H]1CCC[NH2+]C1 ZINC000629514566 351384023 /nfs/dbraw/zinc/38/40/23/351384023.db2.gz RPINNBFQUUZCMI-QRTARXTBSA-N 1 0 274.408 2.106 10 0 CEAERO CC1(C)CCC[N@@H+]1C[C@H](O)COCc1ccccc1 ZINC000070069773 363025418 /nfs/dbraw/zinc/02/54/18/363025418.db2.gz ITFZHFRBNDPLOH-HNNXBMFYSA-N 1 0 263.381 2.439 10 0 CEAERO CO[C@H]1C[NH2+][C@](C)(c2nc(-c3ccccc3F)no2)C1 ZINC000629677881 351464682 /nfs/dbraw/zinc/46/46/82/351464682.db2.gz CMFDBCLNYQTTIW-OTYXRUKQSA-N 1 0 277.299 2.099 10 0 CEAERO CC(C)(C(=O)NC[C@@H]1Cc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000119661776 186842666 /nfs/dbraw/zinc/84/26/66/186842666.db2.gz VIAYRRGRIBAWBR-LSDHHAIUSA-N 1 0 286.419 2.468 10 0 CEAERO C[NH+](C)[C@H]1CC[C@H](NC(=O)N2CCSC(C)(C)CC2)C1 ZINC000336504302 213378299 /nfs/dbraw/zinc/37/82/99/213378299.db2.gz FDCZTMLOHPZKRH-STQMWFEESA-N 1 0 299.484 2.396 10 0 CEAERO CO[C@H]1CN(C(=O)c2cc(Cl)ccc2C)[C@@](C)(C[NH3+])C1 ZINC000630376290 351716585 /nfs/dbraw/zinc/71/65/85/351716585.db2.gz VTUNEEHVGSVDAO-IUODEOHRSA-N 1 0 296.798 2.227 10 0 CEAERO COc1cccc(-c2ccc(N3CCC[C@H]([NH3+])C3)nn2)c1 ZINC000070458476 363086058 /nfs/dbraw/zinc/08/60/58/363086058.db2.gz FJRZSICHARQUHZ-ZDUSSCGKSA-N 1 0 284.363 2.080 10 0 CEAERO CCCc1noc(-c2cccnc2N2CCC[C@@H]([NH3+])C2)n1 ZINC000070457949 363086219 /nfs/dbraw/zinc/08/62/19/363086219.db2.gz LTPBWISAKHLXAK-LLVKDONJSA-N 1 0 287.367 2.012 10 0 CEAERO CCCc1noc(-c2ccc(N3CCC[C@H]([NH3+])C3)nc2)n1 ZINC000070457758 363086391 /nfs/dbraw/zinc/08/63/91/363086391.db2.gz AAIJXJTWLKKKEJ-LBPRGKRZSA-N 1 0 287.367 2.012 10 0 CEAERO c1csc(-c2cc3c(N4CCC[NH2+]CC4)nccn3n2)c1 ZINC000070459185 363087358 /nfs/dbraw/zinc/08/73/58/363087358.db2.gz GLGXPLIACSUZOP-UHFFFAOYSA-N 1 0 299.403 2.258 10 0 CEAERO CO[C@H]1CN(Cc2c(C)cccc2C)[C@@](C)(C[NH3+])C1 ZINC000630361688 351711738 /nfs/dbraw/zinc/71/17/38/351711738.db2.gz VEWBPDCSVNPKHN-GDBMZVCRSA-N 1 0 262.397 2.242 10 0 CEAERO CO[C@@H]1CN(CCCCC2CCOCC2)[C@@](C)(C[NH3+])C1 ZINC000630363393 351711829 /nfs/dbraw/zinc/71/18/29/351711829.db2.gz BEKMOOPMZFDBIH-JKSUJKDBSA-N 1 0 284.444 2.021 10 0 CEAERO CO[C@@H]1CN(C(=O)CC2CCCCCC2)[C@](C)(C[NH3+])C1 ZINC000630362952 351712267 /nfs/dbraw/zinc/71/22/67/351712267.db2.gz ALTUVNQATUYOIY-HOCLYGCPSA-N 1 0 282.428 2.312 10 0 CEAERO CO[C@H]1CN(CCSc2ccc(F)cc2)[C@](C)(C[NH3+])C1 ZINC000630363662 351713578 /nfs/dbraw/zinc/71/35/78/351713578.db2.gz CHVSIZRPLUZFIO-HIFRSBDPSA-N 1 0 298.427 2.356 10 0 CEAERO COc1ccc(Cl)cc1CN1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630363734 351713612 /nfs/dbraw/zinc/71/36/12/351713612.db2.gz QZKQAASCZRKFCI-DZGCQCFKSA-N 1 0 298.814 2.287 10 0 CEAERO C[C@H]1CC[C@@H](Nc2ccc(OC(F)F)cn2)C[NH2+]1 ZINC000630534102 351775106 /nfs/dbraw/zinc/77/51/06/351775106.db2.gz ULZYUBZJGHCRGJ-DTWKUNHWSA-N 1 0 257.284 2.235 10 0 CEAERO [NH3+][C@H]1CCCCCN(c2ccc(OC(F)F)cn2)C1 ZINC000630548673 351780778 /nfs/dbraw/zinc/78/07/78/351780778.db2.gz IQNRPIREGVCUKY-JTQLQIEISA-N 1 0 271.311 2.391 10 0 CEAERO Cn1c2ccccc2nc1N1CCCCC[C@@H]([NH3+])C1 ZINC000630550348 351781429 /nfs/dbraw/zinc/78/14/29/351781429.db2.gz TYEPRUCAAPGZQD-GFCCVEGCSA-N 1 0 258.369 2.281 10 0 CEAERO C[C@H]1CN(c2ccnc(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000630553914 351783362 /nfs/dbraw/zinc/78/33/62/351783362.db2.gz MOCUQDRZEGZTGK-DTWKUNHWSA-N 1 0 259.275 2.131 10 0 CEAERO C[C@@H]1CN(c2ccnc(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000630553917 351783388 /nfs/dbraw/zinc/78/33/88/351783388.db2.gz MOCUQDRZEGZTGK-RKDXNWHRSA-N 1 0 259.275 2.131 10 0 CEAERO Cc1cnc(C)c(N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)n1 ZINC000630526186 351773289 /nfs/dbraw/zinc/77/32/89/351773289.db2.gz AWIPWGVLNQMKPS-MNOVXSKESA-N 1 0 288.317 2.057 10 0 CEAERO Cc1cccc(N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)n1 ZINC000630527122 351773345 /nfs/dbraw/zinc/77/33/45/351773345.db2.gz HUGHAXKUSJUSBK-WDEREUQCSA-N 1 0 273.302 2.354 10 0 CEAERO [NH3+]C[C@H]1CN(c2ncc(Cl)cn2)CC[C@H]1C(F)(F)F ZINC000630526139 351773485 /nfs/dbraw/zinc/77/34/85/351773485.db2.gz ADPOJDKCFQYYPO-IONNQARKSA-N 1 0 294.708 2.094 10 0 CEAERO CCn1cc(C[NH+]2CCC(Cn3cccn3)CC2)cn1 ZINC000122060285 187012718 /nfs/dbraw/zinc/01/27/18/187012718.db2.gz KEXHBCXIBMUGLF-UHFFFAOYSA-N 1 0 273.384 2.012 10 0 CEAERO CCc1oc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1C ZINC000123047912 187068114 /nfs/dbraw/zinc/06/81/14/187068114.db2.gz ZGVXPZSFHMFXQV-STQMWFEESA-N 1 0 276.380 2.459 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccsc1C(=O)OC ZINC000122680768 187045393 /nfs/dbraw/zinc/04/53/93/187045393.db2.gz OJSOEDXLKCTWGA-CYBMUJFWSA-N 1 0 296.436 2.451 10 0 CEAERO C[C@H]1CN(Cc2cnc(Cl)s2)C[C@@H]1[NH+](C)C ZINC000124118178 187122876 /nfs/dbraw/zinc/12/28/76/187122876.db2.gz AKCIBVJQJMRQLY-WPRPVWTQSA-N 1 0 259.806 2.178 10 0 CEAERO CC[C@](C)(O)C[N@H+](C)CCOc1ccc(F)cc1 ZINC000123234038 187079604 /nfs/dbraw/zinc/07/96/04/187079604.db2.gz WIEXANCWGFKCOI-AWEZNQCLSA-N 1 0 255.333 2.297 10 0 CEAERO C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1cc(F)ccc1F ZINC000123258750 187080739 /nfs/dbraw/zinc/08/07/39/187080739.db2.gz MJVHUJKKLUABGD-NWDGAFQWSA-N 1 0 284.350 2.336 10 0 CEAERO C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1F)N1CCOCC1 ZINC000123300715 187083927 /nfs/dbraw/zinc/08/39/27/187083927.db2.gz YBZIDMANNOFQOM-RYUDHWBXSA-N 1 0 284.350 2.336 10 0 CEAERO CC(C)=CCC[C@H](C)[NH2+]C[C@H](C)N1CCOCC1 ZINC000123309313 187084519 /nfs/dbraw/zinc/08/45/19/187084519.db2.gz XEXNSQOUHWCHNB-GJZGRUSLSA-N 1 0 254.418 2.432 10 0 CEAERO CC[C@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccc(F)cc1 ZINC000123416147 187090582 /nfs/dbraw/zinc/09/05/82/187090582.db2.gz CEBNYHYLEXWSDP-CABCVRRESA-N 1 0 278.371 2.482 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1c[nH]nc1-c1cccnc1 ZINC000123436199 187091734 /nfs/dbraw/zinc/09/17/34/187091734.db2.gz WFLYQGUQLXZDKY-MRXNPFEDSA-N 1 0 299.422 2.388 10 0 CEAERO CCC[C@@H](C(=O)N1CCS[C@H](CC)C1)[NH+](C)C ZINC000123621556 187101224 /nfs/dbraw/zinc/10/12/24/187101224.db2.gz BQZQFSJQZZPWLH-NEPJUHHUSA-N 1 0 258.431 2.071 10 0 CEAERO CC[C@@H](O)C[NH+]1CCN(Cc2cccc3[nH]ccc32)CC1 ZINC000123614816 187101356 /nfs/dbraw/zinc/10/13/56/187101356.db2.gz CJVZZKCJMHLFPR-OAHLLOKOSA-N 1 0 287.407 2.056 10 0 CEAERO Cc1ccncc1CN1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000123779396 187108573 /nfs/dbraw/zinc/10/85/73/187108573.db2.gz ZJZUQBPFQDKIOY-GOEBONIOSA-N 1 0 259.397 2.449 10 0 CEAERO C[C@@H](COCc1ccccc1)[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631083551 351955088 /nfs/dbraw/zinc/95/50/88/351955088.db2.gz IYMAMNAVCFPDCT-ZDUSSCGKSA-N 1 0 272.348 2.482 10 0 CEAERO Brc1cccnc1N[C@@H]1CCC[NH2+]C1 ZINC000070950250 363103770 /nfs/dbraw/zinc/10/37/70/363103770.db2.gz NEFXAQTZJWBBRB-MRVPVSSYSA-N 1 0 256.147 2.008 10 0 CEAERO Cc1ccccc1NC(=O)CC[NH+]1[C@@H](C)COC[C@@H]1C ZINC000072685946 363156937 /nfs/dbraw/zinc/15/69/37/363156937.db2.gz ZECOMCIRVQLKAW-KBPBESRZSA-N 1 0 276.380 2.433 10 0 CEAERO O[C@@H]1CCCC[C@H]1[NH+]1CCC(Nc2cccc(F)n2)CC1 ZINC000132849366 187650702 /nfs/dbraw/zinc/65/07/02/187650702.db2.gz CULMIODVDADABA-ZIAGYGMSSA-N 1 0 293.386 2.401 10 0 CEAERO C[C@H]1CN(Cc2sccc2Br)C[C@H]1[NH3+] ZINC000261527636 539852539 /nfs/dbraw/zinc/85/25/39/539852539.db2.gz DXNFYKWZUFHNCU-IONNQARKSA-N 1 0 275.215 2.290 10 0 CEAERO Cc1ccsc1CNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000094876671 539886888 /nfs/dbraw/zinc/88/68/88/539886888.db2.gz WCJXPWNQZZACDB-QWRGUYRKSA-N 1 0 252.383 2.048 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@H]2CCc3ccc(C)cc32)C1 ZINC000252743081 539897193 /nfs/dbraw/zinc/89/71/93/539897193.db2.gz OTOLCCLPWSIUSG-WBVHZDCISA-N 1 0 274.408 2.293 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CN(CC)CCO2)C12CCCC2 ZINC000252744470 539897766 /nfs/dbraw/zinc/89/77/66/539897766.db2.gz SCFUYRCKBXLULG-ARFHVFGLSA-N 1 0 296.455 2.035 10 0 CEAERO CCC[NH2+][C@H]1CCN(CC(=O)NCC)c2ccccc21 ZINC000071378321 535192119 /nfs/dbraw/zinc/19/21/19/535192119.db2.gz VGBXRUPJOJDFFY-AWEZNQCLSA-N 1 0 275.396 2.074 10 0 CEAERO CCc1ccc(CCNC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000153477280 188084823 /nfs/dbraw/zinc/08/48/23/188084823.db2.gz JBTVOLMYQKSXIZ-MRXNPFEDSA-N 1 0 289.423 2.137 10 0 CEAERO CC(C)C[C@@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2C1)[NH+](C)C ZINC000251363992 539973273 /nfs/dbraw/zinc/97/32/73/539973273.db2.gz DVWSCHZECPYDID-CRWXNKLISA-N 1 0 252.402 2.125 10 0 CEAERO CCc1onc(C)c1NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000154228576 188130070 /nfs/dbraw/zinc/13/00/70/188130070.db2.gz POEYACZNKMFCFM-CMPLNLGQSA-N 1 0 294.399 2.396 10 0 CEAERO CC[C@H]1CN(c2ncnc3ccsc32)CC[C@H]1[NH3+] ZINC000251707445 539989184 /nfs/dbraw/zinc/98/91/84/539989184.db2.gz JIFGJUYWUXEQTQ-VHSXEESVSA-N 1 0 262.382 2.255 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc(Cl)nc2)[C@@H](C)C1 ZINC000155410960 188205064 /nfs/dbraw/zinc/20/50/64/188205064.db2.gz UJEKJJNNCXVYDM-JQWIXIFHSA-N 1 0 281.787 2.194 10 0 CEAERO COc1ccsc1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000155769801 188227240 /nfs/dbraw/zinc/22/72/40/188227240.db2.gz JZDLVUYMBJQINZ-QWRGUYRKSA-N 1 0 282.409 2.215 10 0 CEAERO C[NH+](C)C[C@H]1CN(Cc2ccc(F)c(Cl)c2)CCO1 ZINC000156640075 188273566 /nfs/dbraw/zinc/27/35/66/188273566.db2.gz FHQSUZGIMBJHPL-LBPRGKRZSA-N 1 0 286.778 2.242 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)N[C@@H](C)c2ccccn2)[C@@H](C)C1 ZINC000156820204 188283685 /nfs/dbraw/zinc/28/36/85/188283685.db2.gz AHPXVIIWCMENME-YDHLFZDLSA-N 1 0 290.411 2.171 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@@H]2CC[NH2+][C@H]2C)c(C)c1 ZINC000252601373 540005458 /nfs/dbraw/zinc/00/54/58/540005458.db2.gz MINWXHANOQHEBZ-KCQAQPDRSA-N 1 0 260.381 2.479 10 0 CEAERO CC(C)C1([NH2+]C[C@@H](O)COCc2ccccc2)CC1 ZINC000292863461 198437421 /nfs/dbraw/zinc/43/74/21/198437421.db2.gz AXOUPPHHDOTRLX-OAHLLOKOSA-N 1 0 263.381 2.342 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000073722639 363243128 /nfs/dbraw/zinc/24/31/28/363243128.db2.gz INLCLGSZGQBJKH-MCIONIFRSA-N 1 0 281.444 2.260 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)/C=C/c1cncc(C)c1 ZINC000132058192 366114715 /nfs/dbraw/zinc/11/47/15/366114715.db2.gz OQCDBNSEGGJXSV-KXPUMZMLSA-N 1 0 287.407 2.346 10 0 CEAERO CCC[C@H](C(=O)Nc1cc(F)ccc1O)[NH+](C)C ZINC000132135529 366120495 /nfs/dbraw/zinc/12/04/95/366120495.db2.gz ZDFIZRWVQOLNKQ-LLVKDONJSA-N 1 0 254.305 2.200 10 0 CEAERO Cc1csc([C@H]2CN(CC[NH+]3CCCCC3)CCO2)n1 ZINC000132254227 366129677 /nfs/dbraw/zinc/12/96/77/366129677.db2.gz KMQVYLIWMMZJNQ-CQSZACIVSA-N 1 0 295.452 2.311 10 0 CEAERO CCCCN(C)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000132597320 366157304 /nfs/dbraw/zinc/15/73/04/366157304.db2.gz IGZYJPYGZCUXCK-QWHCGFSZSA-N 1 0 255.406 2.157 10 0 CEAERO CCOC(=O)CCCC[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000132915772 366180689 /nfs/dbraw/zinc/18/06/89/366180689.db2.gz JEYOPDPQLBJWSX-CQSZACIVSA-N 1 0 279.384 2.290 10 0 CEAERO COC1(C)CC[NH+](C[C@@](C)(O)c2ccccc2)CC1 ZINC000271757344 191308315 /nfs/dbraw/zinc/30/83/15/191308315.db2.gz OJFNPSNINAVJFC-MRXNPFEDSA-N 1 0 263.381 2.395 10 0 CEAERO Cc1nc2ccc(NC(=O)N3CC[C@H]([NH+](C)C)C3)cc2o1 ZINC000171074874 188714227 /nfs/dbraw/zinc/71/42/27/188714227.db2.gz XFEHGLSHVDMFDB-LBPRGKRZSA-N 1 0 288.351 2.304 10 0 CEAERO COc1ccc([C@H](C)NC(=O)[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000157159047 540037699 /nfs/dbraw/zinc/03/76/99/540037699.db2.gz CPVXYUZZECCMKS-CORIIIEPSA-N 1 0 276.380 2.247 10 0 CEAERO Cc1noc([C@H](C)N2CC[NH+]([C@@H]3C=CCCC3)CC2)n1 ZINC000171746335 188757679 /nfs/dbraw/zinc/75/76/79/188757679.db2.gz GMJDNVUVJNZJAZ-GXTWGEPZSA-N 1 0 276.384 2.165 10 0 CEAERO CC[C@@H]1C[N@H+](C[C@@H]2CCC[C@@H](O)C2)[C@H](CC)CO1 ZINC000403935026 540117939 /nfs/dbraw/zinc/11/79/39/540117939.db2.gz LTOHGVIMZWXQLI-KBUPBQIOSA-N 1 0 255.402 2.427 10 0 CEAERO C[C@H](NC(=O)[C@H]1CCC[C@H]1C[NH3+])c1cccs1 ZINC000160730945 540121049 /nfs/dbraw/zinc/12/10/49/540121049.db2.gz OZTBQVROAHMSSS-DCAQKATOSA-N 1 0 252.383 2.300 10 0 CEAERO CCCC1(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCC1 ZINC000261645920 540149602 /nfs/dbraw/zinc/14/96/02/540149602.db2.gz DDROVRVSIYMGRR-CHWSQXEVSA-N 1 0 252.402 2.448 10 0 CEAERO [NH3+]Cc1cn(-c2cc(Cl)ccc2Br)nn1 ZINC000088123534 540154452 /nfs/dbraw/zinc/15/44/52/540154452.db2.gz PYYNMYANFGLXLH-UHFFFAOYSA-N 1 0 287.548 2.142 10 0 CEAERO Cc1cc(F)ccc1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054290350 540205880 /nfs/dbraw/zinc/20/58/80/540205880.db2.gz YKEGXVPRLNLOEX-NSHDSACASA-N 1 0 250.317 2.462 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)Nc1cc(C)nn1-c1ccc(F)cc1 ZINC000133901790 366265861 /nfs/dbraw/zinc/26/58/61/366265861.db2.gz GBFBLMHFVCHORM-CYBMUJFWSA-N 1 0 290.342 2.386 10 0 CEAERO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000134098685 366286574 /nfs/dbraw/zinc/28/65/74/366286574.db2.gz CCIHDVSCKCEKKP-IHRRRGAJSA-N 1 0 270.417 2.181 10 0 CEAERO COc1c(C[NH2+]CCc2cccs2)c(C)nn1C ZINC000134099668 366286991 /nfs/dbraw/zinc/28/69/91/366286991.db2.gz IRBYBSQYFUEMAD-UHFFFAOYSA-N 1 0 265.382 2.131 10 0 CEAERO O[C@@H](c1ccsc1Br)[C@@H]1C=CC[NH2+]1 ZINC000575544432 366293909 /nfs/dbraw/zinc/29/39/09/366293909.db2.gz VPWBHYQUAIBMBV-YUMQZZPRSA-N 1 0 260.156 2.072 10 0 CEAERO C[C@@H]1OCC[C@]1([NH3+])c1cscc1Br ZINC000575560941 366295726 /nfs/dbraw/zinc/29/57/26/366295726.db2.gz LYZKWNIZYMSDFR-IMTBSYHQSA-N 1 0 262.172 2.473 10 0 CEAERO C[C@H]1C[C@@]([NH3+])(c2cscc2Br)CO1 ZINC000575566322 366295830 /nfs/dbraw/zinc/29/58/30/366295830.db2.gz UBRMBZIPDINDCE-RCOVLWMOSA-N 1 0 262.172 2.473 10 0 CEAERO C[C@@H]1C[N@H+](C[C@](C)(O)c2ccccc2)CCS1 ZINC000134342284 366310892 /nfs/dbraw/zinc/31/08/92/366310892.db2.gz ZLIDZTBSRUIDDZ-OCCSQVGLSA-N 1 0 251.395 2.331 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1nc(C)cc(C)n1 ZINC000577657309 366378430 /nfs/dbraw/zinc/37/84/30/366378430.db2.gz NKBKIJMWMNJJLN-KGLIPLIRSA-N 1 0 260.385 2.156 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2nc3ccccc3n2C)C1 ZINC000079045187 363569615 /nfs/dbraw/zinc/56/96/15/363569615.db2.gz ZEFMSEFTHPILFP-GFCCVEGCSA-N 1 0 258.369 2.470 10 0 CEAERO Cc1noc(C)c1CC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000336284336 213122763 /nfs/dbraw/zinc/12/27/63/213122763.db2.gz GNKIGXBJZRNWBR-HOCLYGCPSA-N 1 0 278.396 2.461 10 0 CEAERO C[C@H]1CN(Cc2cccc(O)c2Cl)C[C@H]1[NH+](C)C ZINC000294043506 198884311 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C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1noc(-c2ccccc2)n1 ZINC000113518362 364903891 /nfs/dbraw/zinc/90/38/91/364903891.db2.gz URYYPWVHJLMRQD-DZGCQCFKSA-N 1 0 298.390 2.405 10 0 CEAERO [NH3+]C[C@@H]1CC[C@@H](Nc2ccc(Br)cn2)C1 ZINC000335582653 212294986 /nfs/dbraw/zinc/29/49/86/212294986.db2.gz RFEXGLPRVVOCKC-PSASIEDQSA-N 1 0 270.174 2.383 10 0 CEAERO CC(C)(C)OC(=O)NC[C@H](C[NH3+])c1ccccc1 ZINC000116149758 365039706 /nfs/dbraw/zinc/03/97/06/365039706.db2.gz AAOSGEAIEZTGKP-LBPRGKRZSA-N 1 0 250.342 2.254 10 0 CEAERO Cn1cc([C@@H]2CC[N@H+](CCOC(C)(C)C)C2)cn1 ZINC000116319052 365051814 /nfs/dbraw/zinc/05/18/14/365051814.db2.gz XLRDLXMEXZZKPV-GFCCVEGCSA-N 1 0 251.374 2.025 10 0 CEAERO CCOCC[N@@H+]1CCN(C(=O)NCCC(C)C)C[C@@H]1CC ZINC000117023502 365089698 /nfs/dbraw/zinc/08/96/98/365089698.db2.gz KPTDCDBDWDHKHL-HNNXBMFYSA-N 1 0 299.459 2.175 10 0 CEAERO C[C@@H]1SCC[N@H+](C[C@@H](O)COCc2ccccc2)[C@H]1C ZINC000118534432 365163440 /nfs/dbraw/zinc/16/34/40/365163440.db2.gz VTROOSJAPURTND-OFQRWUPVSA-N 1 0 295.448 2.390 10 0 CEAERO CCOCCN1CC[N@H+](CCSCC)C[C@H]1CC ZINC000119174704 365229471 /nfs/dbraw/zinc/22/94/71/365229471.db2.gz QEOVPAFTHFJQMZ-CQSZACIVSA-N 1 0 274.474 2.172 10 0 CEAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000120456174 365425506 /nfs/dbraw/zinc/42/55/06/365425506.db2.gz MJPYFLBBGNXHAQ-SLEUVZQESA-N 1 0 294.420 2.286 10 0 CEAERO OCCCCC[N@@H+]1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121038533 365515323 /nfs/dbraw/zinc/51/53/23/365515323.db2.gz IZRBAHBBVKZIOM-IUODEOHRSA-N 1 0 285.334 2.235 10 0 CEAERO CCC[C@@H]1CCCN(Cc2nnnn2C(C)C)C1 ZINC000120903480 365492478 /nfs/dbraw/zinc/49/24/78/365492478.db2.gz WKAOTUPNEUTAEL-GFCCVEGCSA-N 1 0 251.378 2.266 10 0 CEAERO CC[C@H]1C[N@H+](Cc2cccs2)CCN1CCOC ZINC000120925877 365496665 /nfs/dbraw/zinc/49/66/65/365496665.db2.gz FMTKRXSEQBKNLP-ZDUSSCGKSA-N 1 0 268.426 2.291 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(C(=O)OC)o1 ZINC000245424753 370817241 /nfs/dbraw/zinc/81/72/41/370817241.db2.gz KGLPUKMJLYQFNV-STQMWFEESA-N 1 0 292.379 2.125 10 0 CEAERO CC1CC(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC000583317188 367030416 /nfs/dbraw/zinc/03/04/16/367030416.db2.gz XUXNJMBWPXXDFA-UHFFFAOYSA-N 1 0 260.337 2.153 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N(CC)C[C@H](O)c1ccc(C)cc1 ZINC000161953632 367124403 /nfs/dbraw/zinc/12/44/03/367124403.db2.gz FDXIPADSSJNTHL-GJZGRUSLSA-N 1 0 278.396 2.004 10 0 CEAERO Cc1c2ccccc2oc1C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638884664 370819146 /nfs/dbraw/zinc/81/91/46/370819146.db2.gz IGLXCCHICSUVKP-PWSUYJOCSA-N 1 0 272.348 2.408 10 0 CEAERO COc1ccc(Cl)cc1C(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638887592 370822024 /nfs/dbraw/zinc/82/20/24/370822024.db2.gz WDVHNLNPDOBJTI-VHSXEESVSA-N 1 0 282.771 2.015 10 0 CEAERO C[C@@H]1CN(C(=O)c2ccc(F)cc2Cl)C[C@H]1C[NH3+] ZINC000638888369 370822228 /nfs/dbraw/zinc/82/22/28/370822228.db2.gz XTXBKYQIISCYNV-RKDXNWHRSA-N 1 0 270.735 2.146 10 0 CEAERO CC(C)Oc1ccc(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000638887158 370822282 /nfs/dbraw/zinc/82/22/82/370822282.db2.gz UKWYPXGFLMWUID-TZMCWYRMSA-N 1 0 276.380 2.141 10 0 CEAERO Cc1cc(F)ccc1CN1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000245693294 370858552 /nfs/dbraw/zinc/85/85/52/370858552.db2.gz BTKXFLLTVWLNJN-KGLIPLIRSA-N 1 0 280.387 2.021 10 0 CEAERO Cc1cc(C(C)C)nc(N2CC[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000164019687 367274884 /nfs/dbraw/zinc/27/48/84/367274884.db2.gz DXDUMHGNXKSEAK-WCQYABFASA-N 1 0 262.401 2.330 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)c2cccc(OC(F)F)c2)C1 ZINC000170863582 367434782 /nfs/dbraw/zinc/43/47/82/367434782.db2.gz KOBMJZDQJRLJDB-NSHDSACASA-N 1 0 284.306 2.064 10 0 CEAERO CCCOc1cccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000170865721 367436712 /nfs/dbraw/zinc/43/67/12/367436712.db2.gz UILSRSTZZCLCPE-CQSZACIVSA-N 1 0 276.380 2.252 10 0 CEAERO Cc1csc([C@H]2CCC[N@H+](CC(C)(C)O)C2)n1 ZINC000171439511 367543552 /nfs/dbraw/zinc/54/35/52/367543552.db2.gz WRLYVZPLNDEEBB-NSHDSACASA-N 1 0 254.399 2.402 10 0 CEAERO Cc1ccccc1CCC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000171541578 367561694 /nfs/dbraw/zinc/56/16/94/367561694.db2.gz FTSQOOXGQNDEQT-OAHLLOKOSA-N 1 0 260.381 2.090 10 0 CEAERO C[C@@H]1CN(CCOc2ccccc2Cl)C[C@@H]1C[NH3+] ZINC000631842937 367583737 /nfs/dbraw/zinc/58/37/37/367583737.db2.gz HPQOQYZEZWQSMZ-NEPJUHHUSA-N 1 0 268.788 2.245 10 0 CEAERO C[C@H]1CN(Cc2cccnc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC000631836625 367575240 /nfs/dbraw/zinc/57/52/40/367575240.db2.gz CSBZNTCMPDCUEM-ONGXEEELSA-N 1 0 273.302 2.127 10 0 CEAERO C[Si](C)(C)C[NH+]1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000171746056 367608070 /nfs/dbraw/zinc/60/80/70/367608070.db2.gz SPJAYOXJOLQOOH-MRXNPFEDSA-N 1 0 292.499 2.215 10 0 CEAERO COc1cccc(C[N@@H+]2CCC[C@@H](n3cc(C)cn3)C2)n1 ZINC000171829052 367623987 /nfs/dbraw/zinc/62/39/87/367623987.db2.gz FAINBSLRBLSHDJ-OAHLLOKOSA-N 1 0 286.379 2.432 10 0 CEAERO CCOc1cccc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000171890942 367634002 /nfs/dbraw/zinc/63/40/02/367634002.db2.gz GLDAVIXMNNZLHP-AWEZNQCLSA-N 1 0 289.379 2.397 10 0 CEAERO C[N@@H+](Cc1cnc2ccccn12)C[C@H]1CCc2nccn2C1 ZINC000681914412 541608921 /nfs/dbraw/zinc/60/89/21/541608921.db2.gz FOANSENEVYJKIA-CQSZACIVSA-N 1 0 295.390 2.225 10 0 CEAERO C[C@H](NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)c1ccccn1 ZINC000172237758 367701779 /nfs/dbraw/zinc/70/17/79/367701779.db2.gz RJJXUWXMENHYOS-MELADBBJSA-N 1 0 288.395 2.021 10 0 CEAERO CC(C)n1cccc1C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000245728369 370865654 /nfs/dbraw/zinc/86/56/54/370865654.db2.gz XXIZFFCLADZRKF-KGLIPLIRSA-N 1 0 275.396 2.378 10 0 CEAERO C[C@H](O)C[N@@H+]1CCN(C/C=C/c2ccc(F)cc2)C[C@@H]1C ZINC000245748743 370868087 /nfs/dbraw/zinc/86/80/87/370868087.db2.gz NJMJCYFPCCMBOQ-WCYDHSITSA-N 1 0 292.398 2.226 10 0 CEAERO CS[C@@H](C(=O)N1CC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000172539018 367772301 /nfs/dbraw/zinc/77/23/01/367772301.db2.gz BMWCXTYUEFDKNG-UONOGXRCSA-N 1 0 278.421 2.253 10 0 CEAERO COc1c(C[N@H+](C)[C@@H]2C[C@](C)(OC)C2(C)C)c(C)nn1C ZINC000245810949 370874858 /nfs/dbraw/zinc/87/48/58/370874858.db2.gz ZJMNOUOTKDOLAH-CJNGLKHVSA-N 1 0 295.427 2.373 10 0 CEAERO Cc1ccc(-c2n[nH]cc2CN2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000245810996 370874946 /nfs/dbraw/zinc/87/49/46/370874946.db2.gz ZJXZXMNUKCRAAA-AWEZNQCLSA-N 1 0 286.379 2.258 10 0 CEAERO Cc1ccc(C[N@@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1C ZINC000245799289 370875818 /nfs/dbraw/zinc/87/58/18/370875818.db2.gz XLRGHHQWKCBQLI-WMZOPIPTSA-N 1 0 288.435 2.456 10 0 CEAERO C[C@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)c1nccn1C ZINC000343536136 367870219 /nfs/dbraw/zinc/87/02/19/367870219.db2.gz PMQDJKIRLBTGGS-UTUOFQBUSA-N 1 0 251.374 2.274 10 0 CEAERO CCn1cc(C2CC[NH+](CCC(=O)OC(C)C)CC2)cn1 ZINC000173604544 367926456 /nfs/dbraw/zinc/92/64/56/367926456.db2.gz QSAIVUKXEYHRGC-UHFFFAOYSA-N 1 0 293.411 2.424 10 0 CEAERO COC[C@H](C)C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000173611666 367927530 /nfs/dbraw/zinc/92/75/30/367927530.db2.gz BEFQTXYJAZEFRB-GJZGRUSLSA-N 1 0 292.423 2.296 10 0 CEAERO Cn1cccc1[C@@H]1CCC[N@@H+]1C[C@@H](O)COC(C)(C)C ZINC000245985258 370897115 /nfs/dbraw/zinc/89/71/15/370897115.db2.gz ZNBMKQGEHRGBCE-HIFRSBDPSA-N 1 0 280.412 2.338 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccnc(C)c1 ZINC000245984625 370897222 /nfs/dbraw/zinc/89/72/22/370897222.db2.gz BSPRTPQVRLIWMQ-GJZGRUSLSA-N 1 0 288.395 2.481 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(Cl)c[nH]1 ZINC000175015247 368089611 /nfs/dbraw/zinc/08/96/11/368089611.db2.gz HGGIRPKWYNNEAA-VXGBXAGGSA-N 1 0 281.787 2.367 10 0 CEAERO COc1ccc2oc(C[N@@H+]3C[C@@H](OC)C[C@H]3CO)cc2c1 ZINC000343954017 368089742 /nfs/dbraw/zinc/08/97/42/368089742.db2.gz LMWQYYRRPGVSNS-JSGCOSHPSA-N 1 0 291.347 2.023 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1occc1C ZINC000175038435 368092468 /nfs/dbraw/zinc/09/24/68/368092468.db2.gz HNBXGJWOZKREAQ-CHWSQXEVSA-N 1 0 262.353 2.287 10 0 CEAERO CC[C@@H](C)NC(=O)C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000176483665 368244133 /nfs/dbraw/zinc/24/41/33/368244133.db2.gz IMONQTWDXRDNNF-NEPJUHHUSA-N 1 0 292.379 2.023 10 0 CEAERO CC(C)C[C@@H](C)OCCC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000176298058 368220856 /nfs/dbraw/zinc/22/08/56/368220856.db2.gz KIBWRQHODRBWHV-HUUCEWRRSA-N 1 0 282.428 2.134 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cccnc1 ZINC000178929520 368316901 /nfs/dbraw/zinc/31/69/01/368316901.db2.gz VWZARVQDYROTFX-OAHLLOKOSA-N 1 0 290.411 2.001 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC1CCSCC1 ZINC000177528778 368270159 /nfs/dbraw/zinc/27/01/59/368270159.db2.gz YBQMGNLRCDNWDQ-CYBMUJFWSA-N 1 0 285.457 2.008 10 0 CEAERO CCc1oc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1C ZINC000177549432 368273650 /nfs/dbraw/zinc/27/36/50/368273650.db2.gz CLJUXVGWGLKVGL-GFCCVEGCSA-N 1 0 262.353 2.071 10 0 CEAERO CCC[C@H](C)NC(=O)[C@@H](C)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000177713186 368280035 /nfs/dbraw/zinc/28/00/35/368280035.db2.gz RDFXNFACPHIVDR-ZNMIVQPWSA-N 1 0 283.460 2.096 10 0 CEAERO CC(C)[NH2+]CCCNc1cc(OC(C)C)ncn1 ZINC000572620865 299384968 /nfs/dbraw/zinc/38/49/68/299384968.db2.gz DCBVDWDRNNPUTK-UHFFFAOYSA-N 1 0 252.362 2.064 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)Cc1cccc(C(F)(F)F)c1 ZINC000335500190 212180106 /nfs/dbraw/zinc/18/01/06/212180106.db2.gz NYAIUDUFVNVPPQ-SKDRFNHKSA-N 1 0 286.297 2.196 10 0 CEAERO Cc1c(NC(=O)N2CC[C@H]([NH+](C)C)C2)cccc1N(C)C ZINC000180192669 368372034 /nfs/dbraw/zinc/37/20/34/368372034.db2.gz YHZKZUDGNZJSSO-ZDUSSCGKSA-N 1 0 290.411 2.229 10 0 CEAERO CSCc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)cc1 ZINC000335500173 212179253 /nfs/dbraw/zinc/17/92/53/212179253.db2.gz NOKJALFKOQNHRS-GXFFZTMASA-N 1 0 264.394 2.111 10 0 CEAERO CC[C@H](CSC)NC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000181059725 368417962 /nfs/dbraw/zinc/41/79/62/368417962.db2.gz DJTKPYCFDDSJPF-CHWSQXEVSA-N 1 0 289.489 2.404 10 0 CEAERO CC[C@H](CSC)NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000181122348 368424225 /nfs/dbraw/zinc/42/42/25/368424225.db2.gz UHUVXEALPKTPDS-YNEHKIRRSA-N 1 0 287.473 2.156 10 0 CEAERO Cc1c2cc(F)ccc2oc1C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000335483107 212158302 /nfs/dbraw/zinc/15/83/02/212158302.db2.gz KJIACSQVQKLIAN-QPUJVOFHSA-N 1 0 276.311 2.300 10 0 CEAERO CCC[C@@H](C(=O)NCc1ccc(Cl)cn1)[NH+](C)C ZINC000182144305 368529697 /nfs/dbraw/zinc/52/96/97/368529697.db2.gz OLDVLVYZSQLDDH-LBPRGKRZSA-N 1 0 269.776 2.082 10 0 CEAERO CC[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1ccccc1 ZINC000183752070 368647793 /nfs/dbraw/zinc/64/77/93/368647793.db2.gz IYKCDHZMDXWBEW-MRXNPFEDSA-N 1 0 276.424 2.354 10 0 CEAERO C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000246041592 370901911 /nfs/dbraw/zinc/90/19/11/370901911.db2.gz RYZRXIMMWUGEHG-UPJWGTAASA-N 1 0 294.345 2.279 10 0 CEAERO CCc1ccnc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2CC)c1 ZINC000246034203 370902595 /nfs/dbraw/zinc/90/25/95/370902595.db2.gz MMJSPKBFFLZLOO-CABCVRRESA-N 1 0 287.407 2.343 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1ccc(F)c(F)c1 ZINC000246226447 370930718 /nfs/dbraw/zinc/93/07/18/370930718.db2.gz WFPPHPSOCHKYJS-YPMHNXCESA-N 1 0 294.345 2.202 10 0 CEAERO 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COc1ccc2nc(CN3CCC[C@H]3C[NH3+])sc2c1 ZINC000262002183 371794202 /nfs/dbraw/zinc/79/42/02/371794202.db2.gz UDMXLYDNHKNPQS-JTQLQIEISA-N 1 0 277.393 2.228 10 0 CEAERO C[C@@H]1CN(Cc2cnc(C3CCC3)s2)C[C@@H]1[NH3+] ZINC000262026993 371802816 /nfs/dbraw/zinc/80/28/16/371802816.db2.gz NRBDTCGNGNWMHZ-SKDRFNHKSA-N 1 0 251.399 2.190 10 0 CEAERO COC[C@H]([NH3+])C(=O)Nc1cccc(Cl)c1OC(C)C ZINC000262029287 371803584 /nfs/dbraw/zinc/80/35/84/371803584.db2.gz DWDKTNDJLLIBFO-JTQLQIEISA-N 1 0 286.759 2.039 10 0 CEAERO CC(C)([NH3+])CN1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000262040464 371808669 /nfs/dbraw/zinc/80/86/69/371808669.db2.gz YGMTXTUUDONDGD-VIFPVBQESA-N 1 0 290.333 2.345 10 0 CEAERO COc1ccc([C@H](C)C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000262044567 371811537 /nfs/dbraw/zinc/81/15/37/371811537.db2.gz PNWHHDZNPQQOIH-PBHICJAKSA-N 1 0 274.408 2.484 10 0 CEAERO C[C@H]1CN(Cc2c(C3CC3)nc3sccn23)C[C@H]1[NH3+] ZINC000262128849 371827568 /nfs/dbraw/zinc/82/75/68/371827568.db2.gz YAEMRKQGBICBIB-GXSJLCMTSA-N 1 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ZINC000643665478 373233598 /nfs/dbraw/zinc/23/35/98/373233598.db2.gz DBUZRHXTKDGROT-AWEZNQCLSA-N 1 0 282.428 2.041 10 0 CEAERO CCC1(CNC(=O)C2(CCOC)CC[NH2+]CC2)CCC1 ZINC000643689451 373237306 /nfs/dbraw/zinc/23/73/06/373237306.db2.gz GUEMBLYARFCDNK-UHFFFAOYSA-N 1 0 282.428 2.089 10 0 CEAERO Cc1cccc(C2(C(=O)N3CCC[C@H]([NH3+])C3)CCC2)c1 ZINC000643974301 373316207 /nfs/dbraw/zinc/31/62/07/373316207.db2.gz VPZDXUQCHZMDFF-HNNXBMFYSA-N 1 0 272.392 2.366 10 0 CEAERO CCN(CCC(F)(F)F)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000643985673 373326446 /nfs/dbraw/zinc/32/64/46/373326446.db2.gz JHQOLFIMDKQWAZ-VHSXEESVSA-N 1 0 266.307 2.305 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]CCc2cn[nH]c2)c1C ZINC000353612132 220190711 /nfs/dbraw/zinc/19/07/11/220190711.db2.gz QHKIXMQHZBNCSO-SNVBAGLBSA-N 1 0 261.373 2.136 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H]2C[C@H](OCC(C)C)C2(C)C)C1 ZINC000165258458 541980223 /nfs/dbraw/zinc/98/02/23/541980223.db2.gz BMLBEKRZKISEME-OAGGEKHMSA-N 1 0 298.471 2.136 10 0 CEAERO CCN1CC[C@H]([NH2+]Cc2cc(Cl)cc3c2OCC3)C1 ZINC000389317167 375300365 /nfs/dbraw/zinc/30/03/65/375300365.db2.gz GUHWONGOUJVHDE-AWEZNQCLSA-N 1 0 280.799 2.459 10 0 CEAERO CCN1CC[C@@H]([NH2+]Cc2cc(F)ccc2OC)C1 ZINC000389316995 375300648 /nfs/dbraw/zinc/30/06/48/375300648.db2.gz GSGZRQLTBSKMRR-CYBMUJFWSA-N 1 0 252.333 2.018 10 0 CEAERO CC[C@@H]([NH2+][C@H]1CCN(CC)C1)c1ccc(F)cn1 ZINC000389240905 375301393 /nfs/dbraw/zinc/30/13/93/375301393.db2.gz KTGHOWVQPKFUBI-QWHCGFSZSA-N 1 0 251.349 2.356 10 0 CEAERO Cc1cnc(NCC[NH2+]C2CCCCCC2)nc1C ZINC000386678346 375264204 /nfs/dbraw/zinc/26/42/04/375264204.db2.gz PHNJLPKFVRTUCO-UHFFFAOYSA-N 1 0 262.401 2.240 10 0 CEAERO Cc1scc(CNC(=O)C[C@H]2CCC[NH2+]C2)c1C ZINC000399810819 375370156 /nfs/dbraw/zinc/37/01/56/375370156.db2.gz HJAJXNNCQSORLT-GFCCVEGCSA-N 1 0 266.410 2.371 10 0 CEAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)c1ccc(F)cc1 ZINC000282208549 375429717 /nfs/dbraw/zinc/42/97/17/375429717.db2.gz DDMQESCONDHJRO-KWBADKCTSA-N 1 0 250.317 2.143 10 0 CEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000282218176 375431796 /nfs/dbraw/zinc/43/17/96/375431796.db2.gz DUSASSQDOASMCL-JOYOIKCWSA-N 1 0 252.745 2.097 10 0 CEAERO CC(C)(C)OC(=O)N1CCCCC[C@H]1C1C[NH2+]C1 ZINC000307646808 376569916 /nfs/dbraw/zinc/56/99/16/376569916.db2.gz BXSICPVDPAXVJE-LBPRGKRZSA-N 1 0 254.374 2.386 10 0 CEAERO CCc1cc(CC)nc(N[C@@H]2CCC[N@@H+](CC)C2)n1 ZINC000311343544 376664593 /nfs/dbraw/zinc/66/45/93/376664593.db2.gz LNOVBSCRBSURIN-CQSZACIVSA-N 1 0 262.401 2.498 10 0 CEAERO CCc1nn(C)cc1C[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000684931889 542092466 /nfs/dbraw/zinc/09/24/66/542092466.db2.gz ZWMKFRDFYRBFQD-RYUDHWBXSA-N 1 0 265.401 2.276 10 0 CEAERO CC(C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000564447060 377391467 /nfs/dbraw/zinc/39/14/67/377391467.db2.gz PVRLSCIWKPPUSJ-MGPQQGTHSA-N 1 0 252.402 2.412 10 0 CEAERO Cc1cccc(CCC(=O)N[C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000091496437 249308585 /nfs/dbraw/zinc/30/85/85/249308585.db2.gz KZIINJKLAATSJI-HIFRSBDPSA-N 1 0 260.381 2.184 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]CCc2cn(C)cn2)c1C ZINC000313249232 249389683 /nfs/dbraw/zinc/38/96/83/249389683.db2.gz DKELBWIWIJXBPA-NSHDSACASA-N 1 0 275.400 2.147 10 0 CEAERO C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1O ZINC000497225099 379058857 /nfs/dbraw/zinc/05/88/57/379058857.db2.gz DZHIZSDIPQLDDJ-UMSGYPCISA-N 1 0 286.416 2.181 10 0 CEAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000300583879 379175343 /nfs/dbraw/zinc/17/53/43/379175343.db2.gz MEYQHEDGVNFPGU-NDBYEHHHSA-N 1 0 259.415 2.120 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cnn(C(C)(C)C)c2)C1 ZINC000180941431 542267477 /nfs/dbraw/zinc/26/74/77/542267477.db2.gz AOPSZNHOYSQGBE-LBPRGKRZSA-N 1 0 293.415 2.244 10 0 CEAERO Cc1cc(NCCCCn2ccccc2=O)cc[nH+]1 ZINC000302226941 379338188 /nfs/dbraw/zinc/33/81/88/379338188.db2.gz UADXRNBKNAQCLJ-UHFFFAOYSA-N 1 0 257.337 2.444 10 0 CEAERO CC(C)CO[C@@H]1C[C@H]([NH2+]C[C@@H](C)N2CCOCC2)C1(C)C ZINC000181437941 542272978 /nfs/dbraw/zinc/27/29/78/542272978.db2.gz YRXMEHKHBUCUNJ-OWCLPIDISA-N 1 0 298.471 2.136 10 0 CEAERO C[C@@H]1C[C@@H](O)C[N@H+](Cc2cnc3ccccc3c2)C1 ZINC000334745547 207006443 /nfs/dbraw/zinc/00/64/43/207006443.db2.gz HXIYLHAUALQAMQ-IUODEOHRSA-N 1 0 256.349 2.438 10 0 CEAERO C[NH2+]C1CCN(c2nnc(C)c3ccccc32)CC1 ZINC000037537192 542281171 /nfs/dbraw/zinc/28/11/71/542281171.db2.gz KSBKWOUOYRKCOG-UHFFFAOYSA-N 1 0 256.353 2.126 10 0 CEAERO O=C1NCC[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000038341468 542291156 /nfs/dbraw/zinc/29/11/56/542291156.db2.gz UEJPALGVFBZTQW-QGZVFWFLSA-N 1 0 296.370 2.244 10 0 CEAERO COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CN3CCC2CC3)c1 ZINC000019947124 184535080 /nfs/dbraw/zinc/53/50/80/184535080.db2.gz CKALOJWQIUKOFB-LRDDRELGSA-N 1 0 290.407 2.449 10 0 CEAERO [NH3+][C@@H]1CCOC[C@@H]1Sc1ccc(C(F)(F)F)cn1 ZINC000081863297 184598558 /nfs/dbraw/zinc/59/85/58/184598558.db2.gz NWOKJBMWSBZMED-BDAKNGLRSA-N 1 0 278.299 2.309 10 0 CEAERO C[C@H](OC1(C[NH3+])CCCC1)C(=O)NC1CCCCC1 ZINC000086710948 184609706 /nfs/dbraw/zinc/60/97/06/184609706.db2.gz UXAWQRVFAOCHEF-LBPRGKRZSA-N 1 0 268.401 2.112 10 0 CEAERO Cc1ccc(NC(=O)COC2(C[NH3+])CCCC2)cc1 ZINC000086710859 184610054 /nfs/dbraw/zinc/61/00/54/184610054.db2.gz OKAJQXDUAPYERK-UHFFFAOYSA-N 1 0 262.353 2.222 10 0 CEAERO CCC(CC)(C[NH3+])OCC(=O)Nc1cccc(F)c1 ZINC000086710380 184610192 /nfs/dbraw/zinc/61/01/92/184610192.db2.gz UEEOOWFACWYQSX-UHFFFAOYSA-N 1 0 268.332 2.298 10 0 CEAERO Ic1ccccc1N[C@@H]1CC[NH2+]C1 ZINC000086725932 184610458 /nfs/dbraw/zinc/61/04/58/184610458.db2.gz ZKTILJZLXDCVRZ-MRVPVSSYSA-N 1 0 288.132 2.065 10 0 CEAERO CCc1ccc(C[NH3+])cc1S(=O)(=O)N1CCCC[C@@H]1C ZINC000088907455 184613724 /nfs/dbraw/zinc/61/37/24/184613724.db2.gz MEQPPZLUUIUPQG-LBPRGKRZSA-N 1 0 296.436 2.271 10 0 CEAERO CCCN(CCC)S(=O)(=O)c1cc(C[NH3+])sc1C ZINC000088914906 184614314 /nfs/dbraw/zinc/61/43/14/184614314.db2.gz XIDQJJAPRSTBJK-UHFFFAOYSA-N 1 0 290.454 2.326 10 0 CEAERO CC[NH2+]Cc1csc(S(=O)(=O)N(C)[C@@H](C)CC)c1 ZINC000088949033 184614869 /nfs/dbraw/zinc/61/48/69/184614869.db2.gz BYIXVTQCDPGZOD-JTQLQIEISA-N 1 0 290.454 2.277 10 0 CEAERO CCC[NH2+]CCCCS(=O)(=O)N1CCCC[C@H]1CC ZINC000088942408 184614973 /nfs/dbraw/zinc/61/49/73/184614973.db2.gz XJPOYQJDNLBVDL-CQSZACIVSA-N 1 0 290.473 2.361 10 0 CEAERO CC(C)[NH2+][C@@](C)(C[C@@H](C)OCC1CCCC1)C(N)=O ZINC000090810862 184618254 /nfs/dbraw/zinc/61/82/54/184618254.db2.gz JRFHMCUVYSUTKP-DOMZBBRYSA-N 1 0 270.417 2.214 10 0 CEAERO CC[NH2+]C[C@@](C)(O)COc1ccc(C)cc1Cl ZINC000090824376 184618315 /nfs/dbraw/zinc/61/83/15/184618315.db2.gz RTUCTABKDDAZDN-CYBMUJFWSA-N 1 0 257.761 2.388 10 0 CEAERO CC(C)[C@H](C)NC(=O)C[NH2+]CC1C(C)(C)C1(C)C ZINC000092816672 184628317 /nfs/dbraw/zinc/62/83/17/184628317.db2.gz RJXWTGMEUGKJRL-NSHDSACASA-N 1 0 254.418 2.419 10 0 CEAERO C[C@@H]([NH3+])c1ccc(S(=O)(=O)NC2C(C)(C)C2(C)C)cc1 ZINC000092820241 184629071 /nfs/dbraw/zinc/62/90/71/184629071.db2.gz FXNUMWOMWHDGID-SNVBAGLBSA-N 1 0 296.436 2.419 10 0 CEAERO COc1cc(OC)c([C@H]2CC[NH2+]C[C@@H]2C)c(OC)c1 ZINC000092691521 184621737 /nfs/dbraw/zinc/62/17/37/184621737.db2.gz GDCSUZYJUQTCHD-JQWIXIFHSA-N 1 0 265.353 2.425 10 0 CEAERO CC/C(=C/c1ccc2c(c1)OCCO2)C[NH2+]CCOC ZINC000092726784 184623804 /nfs/dbraw/zinc/62/38/04/184623804.db2.gz COEIPZZAZAIKTI-RAXLEYEMSA-N 1 0 277.364 2.487 10 0 CEAERO O=C(CC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)NC1CC1 ZINC000092986239 184641199 /nfs/dbraw/zinc/64/11/99/184641199.db2.gz TURKDECTPPPOGD-MWLCHTKSSA-N 1 0 278.318 2.366 10 0 CEAERO CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000092954529 184637355 /nfs/dbraw/zinc/63/73/55/184637355.db2.gz JZFPWCKYTKILME-CMPLNLGQSA-N 1 0 282.334 2.311 10 0 CEAERO COC(=O)c1cc(Cl)ccc1N[C@@H]1CC[C@@H]([NH3+])C1 ZINC000093206086 184655054 /nfs/dbraw/zinc/65/50/54/184655054.db2.gz PERFVKNFKFFUKN-NXEZZACHSA-N 1 0 268.744 2.418 10 0 CEAERO O=S1(=O)CC[C@]2(C1)CC[NH2+]C[C@H]2c1ccc(Cl)cc1 ZINC000093160110 184652072 /nfs/dbraw/zinc/65/20/72/184652072.db2.gz KEQSJIURBOUWDU-KBPBESRZSA-N 1 0 299.823 2.222 10 0 CEAERO CC(C)[NH2+]C[C@H](CCS(C)(=O)=O)c1cccc(F)c1 ZINC000093164388 184653288 /nfs/dbraw/zinc/65/32/88/184653288.db2.gz GTLQOQPVLZCATI-ZDUSSCGKSA-N 1 0 287.400 2.342 10 0 CEAERO CCC[NH2+]C[C@@H](c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000093177398 184653402 /nfs/dbraw/zinc/65/34/02/184653402.db2.gz SBZDNSRAYKJCRR-TZMCWYRMSA-N 1 0 299.411 2.344 10 0 CEAERO CC(C)[C@@H]([NH3+])C(=O)N(C)[C@H](C)Cc1cccs1 ZINC000093271982 184660266 /nfs/dbraw/zinc/66/02/66/184660266.db2.gz KQLBIEAHAQWHGO-ZYHUDNBSSA-N 1 0 254.399 2.121 10 0 CEAERO COC[C@@H](C)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000103428396 285199713 /nfs/dbraw/zinc/19/97/13/285199713.db2.gz DEUVYHNGZTVMCP-CHWSQXEVSA-N 1 0 296.436 2.284 10 0 CEAERO CCCOc1ccc([C@]2(C)CNC(=[NH2+])N2CC)cc1 ZINC000093358013 184667143 /nfs/dbraw/zinc/66/71/43/184667143.db2.gz SZRYWNBJHGETKQ-HNNXBMFYSA-N 1 0 261.369 2.341 10 0 CEAERO CCN1C(=[NH2+])NC[C@@H]1c1ccc(OC)c(Br)c1 ZINC000093357970 184667336 /nfs/dbraw/zinc/66/73/36/184667336.db2.gz CXRAFLQNBIUWFG-SNVBAGLBSA-N 1 0 298.184 2.149 10 0 CEAERO CC(C)N1C(=[NH2+])NC[C@@]1(C)c1ccc(F)c(F)c1 ZINC000093374160 184667913 /nfs/dbraw/zinc/66/79/13/184667913.db2.gz HXVQNWZUOGVVFI-ZDUSSCGKSA-N 1 0 253.296 2.219 10 0 CEAERO COc1ccc([C@@H]2CNC(=[NH2+])N2C2CC2)cc1OC(F)F ZINC000093373889 184668392 /nfs/dbraw/zinc/66/83/92/184668392.db2.gz BLLWKWZLXLDCTF-JTQLQIEISA-N 1 0 297.305 2.130 10 0 CEAERO CC(C)CN1C(=[NH2+])NC[C@@H]1c1cc2c(c(Cl)c1)OCO2 ZINC000093375745 184668519 /nfs/dbraw/zinc/66/85/19/184668519.db2.gz BMGMFALVEVBOAU-LLVKDONJSA-N 1 0 295.770 2.396 10 0 CEAERO CC[C@@H](C)N1C(=[NH2+])NC[C@H]1c1cccc(COC)c1 ZINC000093381361 184669009 /nfs/dbraw/zinc/66/90/09/184669009.db2.gz PNCGWFWERQRMGM-RISCZKNCSA-N 1 0 261.369 2.303 10 0 CEAERO C[C@@H](C[C@@H]1CCCC[NH2+]1)Nc1ccc(S(C)(=O)=O)cc1 ZINC000093473117 184681013 /nfs/dbraw/zinc/68/10/13/184681013.db2.gz PARIBVCMYURUEW-JSGCOSHPSA-N 1 0 296.436 2.423 10 0 CEAERO OC[C@@H]1CCC2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000095937366 285272343 /nfs/dbraw/zinc/27/23/43/285272343.db2.gz FEIPBEMSUMTAJW-HNNXBMFYSA-N 1 0 261.365 2.193 10 0 CEAERO COC(=O)c1ccc(C[NH2+]CC2C[C@H](C)O[C@@H](C)C2)o1 ZINC000281421676 195233152 /nfs/dbraw/zinc/23/31/52/195233152.db2.gz YYDXJBGQOUWZMJ-QWRGUYRKSA-N 1 0 281.352 2.359 10 0 CEAERO CC[C@@H](C)S(=O)(=O)C[C@@H]([NH3+])c1ccccc1C ZINC000081937316 177903246 /nfs/dbraw/zinc/90/32/46/177903246.db2.gz VBGOTIHWOYDLNL-DGCLKSJQSA-N 1 0 255.383 2.208 10 0 CEAERO CCc1ccc([C@H]([NH3+])CS(=O)(=O)CC(C)C)cc1 ZINC000081929365 177900382 /nfs/dbraw/zinc/90/03/82/177900382.db2.gz ODVUAPOZLDEBEI-CQSZACIVSA-N 1 0 269.410 2.320 10 0 CEAERO C[NH2+][C@@H]1CCCC[C@@H]1Sc1nnc2ccccn21 ZINC000081880853 177875395 /nfs/dbraw/zinc/87/53/95/177875395.db2.gz KOBWGQIFOUFGAZ-MNOVXSKESA-N 1 0 262.382 2.352 10 0 CEAERO CC[NH2+][C@@H](CSc1nnc2ccccn21)C1CC1 ZINC000081881036 177875363 /nfs/dbraw/zinc/87/53/63/177875363.db2.gz VBPQODXPVWDGLC-NSHDSACASA-N 1 0 262.382 2.210 10 0 CEAERO [NH3+][C@@H]1CCOC[C@@H]1Sc1nc2ccccc2o1 ZINC000081869004 177868987 /nfs/dbraw/zinc/86/89/87/177868987.db2.gz MWRRXVYKTDKJII-KCJUWKMLSA-N 1 0 250.323 2.036 10 0 CEAERO COCC[NH2+]CCCSc1ccc(NC(C)=O)cc1 ZINC000081868274 177868237 /nfs/dbraw/zinc/86/82/37/177868237.db2.gz GGFKVLLICBIGQG-UHFFFAOYSA-N 1 0 282.409 2.363 10 0 CEAERO CCC[C@H]1CC[C@@H]([NH3+])[C@H](Sc2nnnn2C2CC2)C1 ZINC000081867733 177867957 /nfs/dbraw/zinc/86/79/57/177867957.db2.gz TZTVLJAVXSFCEI-MVWJERBFSA-N 1 0 281.429 2.396 10 0 CEAERO CC[NH2+][C@H](CSCCO)c1ccc(OCC)cc1 ZINC000081797051 177862747 /nfs/dbraw/zinc/86/27/47/177862747.db2.gz RPXSIAUBNQWMSL-CQSZACIVSA-N 1 0 269.410 2.461 10 0 CEAERO C[C@@H](NC(=O)CC1C[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000081748316 177853113 /nfs/dbraw/zinc/85/31/13/177853113.db2.gz NQUVHLTVOXOBDD-SECBINFHSA-N 1 0 286.297 2.492 10 0 CEAERO Cc1nc(C)c(C[NH2+][C@@H](CN(C)C)C(C)C)s1 ZINC000080694023 177692883 /nfs/dbraw/zinc/69/28/83/177692883.db2.gz RSUKYNOGKZTCLZ-LBPRGKRZSA-N 1 0 255.431 2.436 10 0 CEAERO CC(C)[NH2+]C[C@H]1CCCCN1S(=O)(=O)CC(C)(C)C ZINC000080194076 177623554 /nfs/dbraw/zinc/62/35/54/177623554.db2.gz UMBHMBNNBKVYSX-CYBMUJFWSA-N 1 0 290.473 2.215 10 0 CEAERO Cc1ccc(C[C@H](C)NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])s1 ZINC000080243411 177629748 /nfs/dbraw/zinc/62/97/48/177629748.db2.gz NLJPKELGPUJHTK-FASAMLHVSA-N 1 0 292.448 2.477 10 0 CEAERO COc1ccc(C[C@H](C)[NH2+]CC(C)(C)S(C)(=O)=O)cc1 ZINC000093523357 184687425 /nfs/dbraw/zinc/68/74/25/184687425.db2.gz LDSAOIBIZZJYSZ-LBPRGKRZSA-N 1 0 299.436 2.039 10 0 CEAERO CC[NH2+][C@@H]1CCC[C@@H]1CCN1C(=O)CC(C)(C)CC1=O ZINC000093557417 184690796 /nfs/dbraw/zinc/69/07/96/184690796.db2.gz INXQFQDOBVNVSC-CHWSQXEVSA-N 1 0 280.412 2.330 10 0 CEAERO CCC1(C)CC[NH+](CC[C@@H]2CCC[C@@]2([NH3+])C(=O)[O-])CC1 ZINC000093593892 184694028 /nfs/dbraw/zinc/69/40/28/184694028.db2.gz COWXNPAIGLYPAK-BBRMVZONSA-N 1 0 282.428 2.471 10 0 CEAERO C[NH2+][C@]1(CO)CCC[C@@H]1CCn1nc(C)c(Cl)c1C ZINC000093618506 184696530 /nfs/dbraw/zinc/69/65/30/184696530.db2.gz BSLSXWRQFGNRMP-OCCSQVGLSA-N 1 0 285.819 2.294 10 0 CEAERO CC[NH2+][C@]1(CO)CCC[C@H]1CCSc1cnn(C)c1 ZINC000093623241 184697727 /nfs/dbraw/zinc/69/77/27/184697727.db2.gz LTFLGGFAIFKPEU-JSGCOSHPSA-N 1 0 283.441 2.043 10 0 CEAERO NC(=O)[C@@]1([NH2+]C2CC2)CCC[C@H]1CCOc1ccccc1 ZINC000093625011 184698335 /nfs/dbraw/zinc/69/83/35/184698335.db2.gz FOCYZBHDEABOIT-SUMWQHHRSA-N 1 0 288.391 2.232 10 0 CEAERO C[NH2+]C[C@H](C)Cc1c(C)nc([C@@H](C)OC)nc1C ZINC000093693017 184707201 /nfs/dbraw/zinc/70/72/01/184707201.db2.gz IHUJZNHVHYYXEQ-BXKDBHETSA-N 1 0 251.374 2.199 10 0 CEAERO CCC1CC[NH+]([C@H]2CCC[C@@]([NH2+]C)(C(=O)[O-])C2)CC1 ZINC000093752714 184713979 /nfs/dbraw/zinc/71/39/79/184713979.db2.gz HGDPCFLEWRJGPY-ZFWWWQNUSA-N 1 0 268.401 2.094 10 0 CEAERO C[NH2+][C@@]1(C(N)=O)CCC[C@H](SC2CCCC2)C1 ZINC000093779733 184720210 /nfs/dbraw/zinc/72/02/10/184720210.db2.gz JZPKJOBHMBVYNT-AAEUAGOBSA-N 1 0 256.415 2.048 10 0 CEAERO Cc1nn([C@@H]2CCC[C@](CO)([NH2+]C3CC3)C2)c(C)c1C ZINC000093784255 184720980 /nfs/dbraw/zinc/72/09/80/184720980.db2.gz LPZLDIIJWMFECH-CVEARBPZSA-N 1 0 277.412 2.407 10 0 CEAERO CC(C)[NH2+][C@@]1(CO)CCC[C@H](Oc2ccccc2CO)C1 ZINC000093784550 184722034 /nfs/dbraw/zinc/72/20/34/184722034.db2.gz PKVKFPZTLGQUNL-RDJZCZTQSA-N 1 0 293.407 2.229 10 0 CEAERO CCC[NH2+][C@H](C1CCCC1)[C@@H]1CN(CC)CCO1 ZINC000093915478 184741844 /nfs/dbraw/zinc/74/18/44/184741844.db2.gz GZKIPXMJOPIHFO-LSDHHAIUSA-N 1 0 254.418 2.266 10 0 CEAERO COc1ccc(C(=O)NC2C(C)(C)C([NH3+])C2(C)C)cc1F ZINC000094006201 184749783 /nfs/dbraw/zinc/74/97/83/184749783.db2.gz XUHAGJUCCNZEDW-UHFFFAOYSA-N 1 0 294.370 2.326 10 0 CEAERO CC(C)N(CC1CC[NH2+]CC1)C(=O)Cc1ccc(O)cc1 ZINC000094023005 184751409 /nfs/dbraw/zinc/75/14/09/184751409.db2.gz UQDRQWLKRTYLIU-UHFFFAOYSA-N 1 0 290.407 2.171 10 0 CEAERO CN(c1ncc(Cl)cc1F)[C@H]1CCC[C@@H]1C[NH3+] ZINC000094052602 184753134 /nfs/dbraw/zinc/75/31/34/184753134.db2.gz LEEHHEWTQZNENS-KCJUWKMLSA-N 1 0 257.740 2.438 10 0 CEAERO COc1cc(Cl)c(N[C@@H]2CC[NH2+]C2)cc1OC ZINC000094079543 184754070 /nfs/dbraw/zinc/75/40/70/184754070.db2.gz MAWPNNPWHPYUKF-MRVPVSSYSA-N 1 0 256.733 2.131 10 0 CEAERO Nc1ccc2c(c1)CC[C@@H]2[NH2+]CCCOC[C@H]1CCCO1 ZINC000094075204 184754219 /nfs/dbraw/zinc/75/42/19/184754219.db2.gz OVHWMDYVVWELPC-WBVHZDCISA-N 1 0 290.407 2.431 10 0 CEAERO CC[NH2+][C@H](Cc1nccn1C)C(C)(C)N(CC)CC ZINC000094162935 184757022 /nfs/dbraw/zinc/75/70/22/184757022.db2.gz SABNBMHSXJPILJ-CYBMUJFWSA-N 1 0 266.433 2.061 10 0 CEAERO C[C@H]1OCC[C@H]1C(=O)N(c1ccc(C[NH3+])cc1)C1CC1 ZINC000094173558 184759029 /nfs/dbraw/zinc/75/90/29/184759029.db2.gz VJYHMCHXANBVAN-IAQYHMDHSA-N 1 0 274.364 2.066 10 0 CEAERO CC[NH2+][C@H](c1ccc2c(c1)NC(=O)CO2)[C@@H]1CCO[C@@H]1C ZINC000094176511 184759582 /nfs/dbraw/zinc/75/95/82/184759582.db2.gz TYPPBHQXXIBKBT-NSODJVPESA-N 1 0 290.363 2.093 10 0 CEAERO CCNc1ncc(CN2CC[C@@H]([NH+](CC)CC)C2)s1 ZINC000094193162 184761368 /nfs/dbraw/zinc/76/13/68/184761368.db2.gz XHOJFPCUAOBULG-GFCCVEGCSA-N 1 0 282.457 2.491 10 0 CEAERO Cn1ccc(-n2c(N)[nH+]c3cc(Cl)c(F)cc32)n1 ZINC000094197344 184761953 /nfs/dbraw/zinc/76/19/53/184761953.db2.gz BHJJLRBHJUGOQP-UHFFFAOYSA-N 1 0 265.679 2.134 10 0 CEAERO CC[C@H]1C[NH2+][C@H](CC(C)C)CN1c1ccn(C)n1 ZINC000094197965 184762391 /nfs/dbraw/zinc/76/23/91/184762391.db2.gz AARZYLQDQYSUCO-OLZOCXBDSA-N 1 0 250.390 2.023 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccc(OCc2cc(C)nn2CC)cn1 ZINC000094216364 184764217 /nfs/dbraw/zinc/76/42/17/184764217.db2.gz QQFNBNFTIWGZAT-CYBMUJFWSA-N 1 0 288.395 2.465 10 0 CEAERO CC[C@H]([NH3+])Cc1ccc(OCCc2cccnc2)cn1 ZINC000094216179 184764290 /nfs/dbraw/zinc/76/42/90/184764290.db2.gz QTECMDHMIMZIGU-AWEZNQCLSA-N 1 0 271.364 2.378 10 0 CEAERO CC[C@@](C)([NH3+])C(=O)N(Cc1ccco1)CC(F)(F)F ZINC000094234427 184767439 /nfs/dbraw/zinc/76/74/39/184767439.db2.gz RDJRBCREZFJYEP-LLVKDONJSA-N 1 0 278.274 2.298 10 0 CEAERO COC(=O)c1ccc(N[C@@H](C[NH3+])C(C)C)c(F)c1F ZINC000094272229 184773959 /nfs/dbraw/zinc/77/39/59/184773959.db2.gz AZOTXWJYZKRUTI-JTQLQIEISA-N 1 0 272.295 2.147 10 0 CEAERO C[NH2+][C@@H]1[C@@H](Sc2nnnn2C2CC2)CCCC1(C)C ZINC000094283505 184774996 /nfs/dbraw/zinc/77/49/96/184774996.db2.gz NUJIFUSWWNSHQY-WDEREUQCSA-N 1 0 281.429 2.267 10 0 CEAERO CC1(C)CC[C@](C[NH3+])(Cc2ccccc2F)[C@H]1O ZINC000094314961 184779759 /nfs/dbraw/zinc/77/97/59/184779759.db2.gz PLCXFXDLQVWPBZ-DZGCQCFKSA-N 1 0 251.345 2.494 10 0 CEAERO C[C@@H]1CN(C(=O)c2cc(Cl)cn2C2CC2)CC[C@H]1[NH3+] ZINC000094339849 184783842 /nfs/dbraw/zinc/78/38/42/184783842.db2.gz NNDNPVWJTCKMNY-BXKDBHETSA-N 1 0 281.787 2.286 10 0 CEAERO C[C@H]1C[NH2+]CC[C@H]1N1C(=O)CC2(CCCCC2)CC1=O ZINC000094345822 184786621 /nfs/dbraw/zinc/78/66/21/184786621.db2.gz DUVJUHBKUQODGP-QWHCGFSZSA-N 1 0 278.396 2.084 10 0 CEAERO [NH3+][C@@H](c1ccoc1)[C@H]1CCOC2(CCOCC2)C1 ZINC000094403333 184793430 /nfs/dbraw/zinc/79/34/30/184793430.db2.gz NCOMIZCFQIRLSB-WCQYABFASA-N 1 0 251.326 2.255 10 0 CEAERO OC1(C2CC2)C[NH+]([C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000094411160 184794720 /nfs/dbraw/zinc/79/47/20/184794720.db2.gz PNXXZGZCXSVHEK-CQSZACIVSA-N 1 0 265.397 2.325 10 0 CEAERO COCC[NH2+]CC[C@@](C)(O)[C@H]1CCOC2(CCCCC2)C1 ZINC000094418780 184794929 /nfs/dbraw/zinc/79/49/29/184794929.db2.gz RJVBBRNGYYJWOE-JKSUJKDBSA-N 1 0 299.455 2.493 10 0 CEAERO COC(=O)C[C@@]1(C(C)(C)[NH3+])CC(C)(C)OC1(C)C ZINC000094426786 184796675 /nfs/dbraw/zinc/79/66/75/184796675.db2.gz JQXUTJNXCHCPEK-AWEZNQCLSA-N 1 0 257.374 2.251 10 0 CEAERO [NH3+]Cc1ccc(CNc2ccc3nccnc3n2)c(F)c1 ZINC000094725770 184847628 /nfs/dbraw/zinc/84/76/28/184847628.db2.gz CXUDPQHUJCHOKA-UHFFFAOYSA-N 1 0 283.310 2.235 10 0 CEAERO C[C@]1(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)CCCO1 ZINC000094798268 184866365 /nfs/dbraw/zinc/86/63/65/184866365.db2.gz ZIVGDUAOTNCCQR-IAGOWNOFSA-N 1 0 274.408 2.420 10 0 CEAERO CCC1(CC)CCN(C(=O)[C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000094803453 184869639 /nfs/dbraw/zinc/86/96/39/184869639.db2.gz TYUCASWSQLPIEY-STQMWFEESA-N 1 0 252.402 2.413 10 0 CEAERO C[C@@H]1SCCC[C@]1([NH2+]C1CCCCC1)C(N)=O ZINC000094479653 184808584 /nfs/dbraw/zinc/80/85/84/184808584.db2.gz DNMSYZQLCWWEBD-GXFFZTMASA-N 1 0 256.415 2.048 10 0 CEAERO C[N@H+](CC1CCOCC1)[C@]1(CN)CSCC(C)(C)C1 ZINC000094489595 184809305 /nfs/dbraw/zinc/80/93/05/184809305.db2.gz UZFOVLAXBDMUAP-OAHLLOKOSA-N 1 0 286.485 2.205 10 0 CEAERO CC(C)CN1C(N)=[NH+]C[C@]12CSCCC2(C)C ZINC000094485874 184809632 /nfs/dbraw/zinc/80/96/32/184809632.db2.gz UQQTVXVWKCCDPY-CYBMUJFWSA-N 1 0 255.431 2.175 10 0 CEAERO CCCn1nccc1[C@@H]([NH2+]C)[C@H]1CSCCS1 ZINC000094499170 184810615 /nfs/dbraw/zinc/81/06/15/184810615.db2.gz RPGPLHLQPFXCRN-VXGBXAGGSA-N 1 0 271.455 2.402 10 0 CEAERO C[NH2+][C@@H](Cc1ccc2c(c1)CCC2)[C@H]1CSCCO1 ZINC000094503116 184811376 /nfs/dbraw/zinc/81/13/76/184811376.db2.gz SJPNSWNTBPUNTM-JKSUJKDBSA-N 1 0 277.433 2.438 10 0 CEAERO C[C@@H](C[NH2+]C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2)C(N)=O ZINC000094544536 184815682 /nfs/dbraw/zinc/81/56/82/184815682.db2.gz JRRQRJGVTWWJDD-YOGGUKIVSA-N 1 0 264.413 2.446 10 0 CEAERO Cc1cccc(CCC(=O)N2C[C@H](C)C[C@H]([NH3+])C2)c1 ZINC000094549022 184816177 /nfs/dbraw/zinc/81/61/77/184816177.db2.gz SUZYAJFRCMDOIA-HIFRSBDPSA-N 1 0 260.381 2.123 10 0 CEAERO CCC[NH2+][C@H](Cc1ncnn1C)c1ccc(Cl)cn1 ZINC000094844990 184878479 /nfs/dbraw/zinc/87/84/79/184878479.db2.gz TUECRMQCSLWPGN-GFCCVEGCSA-N 1 0 279.775 2.147 10 0 CEAERO Cc1ccn2nc(NCc3ccccc3C[NH3+])nc2c1 ZINC000094607819 184825739 /nfs/dbraw/zinc/82/57/39/184825739.db2.gz DSUWGLTXWXHMDZ-UHFFFAOYSA-N 1 0 267.336 2.109 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1Nc1nc2ccc(Cl)cn2n1 ZINC000094608843 184825859 /nfs/dbraw/zinc/82/58/59/184825859.db2.gz MOGQTXYDOQWZJP-ONGXEEELSA-N 1 0 279.775 2.312 10 0 CEAERO CCC[NH2+][C@]1(C(N)=O)CCC[C@@H](Sc2ccncc2)C1 ZINC000094615397 184826299 /nfs/dbraw/zinc/82/62/99/184826299.db2.gz GYRCFVYKXNFWKE-UKRRQHHQSA-N 1 0 293.436 2.340 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1S(=O)(=O)c1cccc(F)c1 ZINC000094627263 184828745 /nfs/dbraw/zinc/82/87/45/184828745.db2.gz OCHZDFYVVJMXKV-GXFFZTMASA-N 1 0 271.357 2.117 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000094646791 184832759 /nfs/dbraw/zinc/83/27/59/184832759.db2.gz OZTGGGXZCNQUPQ-DGCLKSJQSA-N 1 0 290.363 2.175 10 0 CEAERO C[C@H]([NH3+])Cc1ccc(OCc2cccc(O)c2)cn1 ZINC000094687318 184839407 /nfs/dbraw/zinc/83/94/07/184839407.db2.gz VWFMVTZJUUWKFM-NSHDSACASA-N 1 0 258.321 2.256 10 0 CEAERO CC(C)C[C@@H](C[NH3+])C(=O)N1CCC[C@@H]1c1cccnc1 ZINC000094697227 184841567 /nfs/dbraw/zinc/84/15/67/184841567.db2.gz OFVSKSJKAZONCC-LSDHHAIUSA-N 1 0 275.396 2.366 10 0 CEAERO CCC1CCC(O)(CNC(=O)[C@@H](C[NH3+])CC(C)C)CC1 ZINC000094700719 184842395 /nfs/dbraw/zinc/84/23/95/184842395.db2.gz AKPHVIKWUMEANQ-NPCAHTBFSA-N 1 0 284.444 2.055 10 0 CEAERO CC(C)C[C@@H](C[NH3+])C(=O)NCc1ccc(F)c(F)c1 ZINC000094699776 184842774 /nfs/dbraw/zinc/84/27/74/184842774.db2.gz HVDKQVIYZLPCAS-NSHDSACASA-N 1 0 270.323 2.202 10 0 CEAERO CC[NH2+][C@H](C)c1ccnc(-n2nnc3ccccc32)c1 ZINC000095000493 184912693 /nfs/dbraw/zinc/91/26/93/184912693.db2.gz CQXPBAIHLAREQP-LLVKDONJSA-N 1 0 267.336 2.486 10 0 CEAERO COc1ncccc1CN1CCCC[C@H]1C[NH2+]C1CC1 ZINC000095008425 184914204 /nfs/dbraw/zinc/91/42/04/184914204.db2.gz BGIZKEIEJLBDNM-HNNXBMFYSA-N 1 0 275.396 2.197 10 0 CEAERO CCC1(CC)C[NH2+][C@H](C)CN1Cc1cccnc1OC ZINC000095011302 184915754 /nfs/dbraw/zinc/91/57/54/184915754.db2.gz XBWBMPIRWNPNMK-CYBMUJFWSA-N 1 0 277.412 2.443 10 0 CEAERO CC[C@H]([NH2+]C)c1nnc(C[C@@H]2CCCCO2)s1 ZINC000095033356 184919607 /nfs/dbraw/zinc/91/96/07/184919607.db2.gz HFSICBQIWWICRT-UWVGGRQHSA-N 1 0 255.387 2.320 10 0 CEAERO CC(C)[NH2+]CCc1ncc(C[C@@H]2CCCCO2)o1 ZINC000095033268 184919843 /nfs/dbraw/zinc/91/98/43/184919843.db2.gz ZCSDWJBARRNVTG-LBPRGKRZSA-N 1 0 252.358 2.327 10 0 CEAERO COCCCc1nnc(CCC[NH2+]C(C)C)s1 ZINC000095038426 184921562 /nfs/dbraw/zinc/92/15/62/184921562.db2.gz BWNWCVYPACXTKQ-UHFFFAOYSA-N 1 0 257.403 2.048 10 0 CEAERO Brc1cc(CNC[C@@H]2CCCC[NH2+]2)ccn1 ZINC000095092454 184941716 /nfs/dbraw/zinc/94/17/16/184941716.db2.gz BLXKMHDDTAAUAU-NSHDSACASA-N 1 0 284.201 2.076 10 0 CEAERO CCC[NH2+][C@@H](CO)CN(C)C1CCC(C)(C)CC1 ZINC000094862408 184883036 /nfs/dbraw/zinc/88/30/36/184883036.db2.gz CQNDTKFRAXLWMA-CYBMUJFWSA-N 1 0 256.434 2.248 10 0 CEAERO CCN(C[C@H](C)C[NH3+])c1ncnc2c1CCCCC2 ZINC000094887325 184888079 /nfs/dbraw/zinc/88/80/79/184888079.db2.gz NLZIGCITQXUUGK-GFCCVEGCSA-N 1 0 262.401 2.167 10 0 CEAERO C[C@@H](NC(=O)NC1CCCC1)c1ccc(C[NH3+])cc1 ZINC000094890117 184888494 /nfs/dbraw/zinc/88/84/94/184888494.db2.gz JHSLDVRLJXZPIG-LLVKDONJSA-N 1 0 261.369 2.448 10 0 CEAERO CCC1([C@@H]([NH3+])c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CCCC1 ZINC000094899539 184890422 /nfs/dbraw/zinc/89/04/22/184890422.db2.gz NOWPPCQQZMBZJI-ZDUSSCGKSA-N 1 0 287.363 2.187 10 0 CEAERO C[C@@H](CCCO)[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000094943887 184899559 /nfs/dbraw/zinc/89/95/59/184899559.db2.gz ANDKNLGPQRHCDW-GXFFZTMASA-N 1 0 291.313 2.489 10 0 CEAERO C[C@H](CCCO)[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000094943690 184899584 /nfs/dbraw/zinc/89/95/84/184899584.db2.gz GAKHFLXNYRLLHZ-ZWNOBZJWSA-N 1 0 257.761 2.124 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)c2ccc(NN)[nH+]c2)cc1F ZINC000094963909 184907258 /nfs/dbraw/zinc/90/72/58/184907258.db2.gz GRPRHAQGAJIYTJ-SNVBAGLBSA-N 1 0 288.326 2.306 10 0 CEAERO CC[NH2+]CCN(C)Cc1nc(C(C)(C)C)cs1 ZINC000094967401 184907414 /nfs/dbraw/zinc/90/74/14/184907414.db2.gz AAPLPONSIXVWHG-UHFFFAOYSA-N 1 0 255.431 2.482 10 0 CEAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000282226274 195544047 /nfs/dbraw/zinc/54/40/47/195544047.db2.gz IHDIHDNYXKQQEL-WPSFFTEHSA-N 1 0 276.355 2.328 10 0 CEAERO C[C@@H]([NH2+]C1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400414607 533335299 /nfs/dbraw/zinc/33/52/99/533335299.db2.gz VARWBPFMFRXNNF-MNOVXSKESA-N 1 0 254.374 2.384 10 0 CEAERO CSCCC[NH+]1CCN(Cc2cnc(C)s2)CC1 ZINC000173673078 533565715 /nfs/dbraw/zinc/56/57/15/533565715.db2.gz TYGDJABLZKDVQR-UHFFFAOYSA-N 1 0 285.482 2.322 10 0 CEAERO Cc1cnn(CC[NH2+]Cc2ccc(N(C)C(C)C)nc2)c1 ZINC000190976204 130168367 /nfs/dbraw/zinc/16/83/67/130168367.db2.gz AHDIHYZXVBMXAJ-UHFFFAOYSA-N 1 0 287.411 2.221 10 0 CEAERO Cc1cccc(OC(F)F)c1NC(=O)CCC[NH3+] ZINC000237667863 131051479 /nfs/dbraw/zinc/05/14/79/131051479.db2.gz QXBGMNFIFFUAJO-UHFFFAOYSA-N 1 0 258.268 2.274 10 0 CEAERO COC(=O)CCCN1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246564089 131095324 /nfs/dbraw/zinc/09/53/24/131095324.db2.gz FFOPKNYALMBDAO-FZMZJTMJSA-N 1 0 299.317 2.026 10 0 CEAERO c1cnnc(N2CCC[C@@H]([NH2+]C[C@@H]3CC=CCC3)C2)c1 ZINC000246725760 131096933 /nfs/dbraw/zinc/09/69/33/131096933.db2.gz OIJDUMCMTQUWPJ-HUUCEWRRSA-N 1 0 272.396 2.391 10 0 CEAERO C[C@H](c1ccccc1F)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000247003389 131099345 /nfs/dbraw/zinc/09/93/45/131099345.db2.gz BRBPWRZUHQZYBD-OLZOCXBDSA-N 1 0 266.360 2.149 10 0 CEAERO CC(=O)c1c(F)cccc1N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000251854112 131131259 /nfs/dbraw/zinc/13/12/59/131131259.db2.gz RTYFPPHCCHRDDX-IINYFYTJSA-N 1 0 264.344 2.415 10 0 CEAERO C[C@H]1CN(c2nc3ccccc3cc2CO)C[C@H]1[NH+](C)C ZINC000251762354 131132134 /nfs/dbraw/zinc/13/21/34/131132134.db2.gz LWUXNTPKZPPEPX-BLLLJJGKSA-N 1 0 285.391 2.113 10 0 CEAERO COc1ccccc1C(C)(C)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262382535 131217305 /nfs/dbraw/zinc/21/73/05/131217305.db2.gz OCTOGXKDZPBDQN-STQMWFEESA-N 1 0 290.407 2.435 10 0 CEAERO Cc1cc([C@@H](NC(=O)[C@@H](C)[NH3+])C2CC2)ccc1F ZINC000262694656 131251723 /nfs/dbraw/zinc/25/17/23/131251723.db2.gz CJOFIMVAWDSIQE-RNCFNFMXSA-N 1 0 250.317 2.049 10 0 CEAERO CC[C@@H]([NH3+])[C@H](N1CC(=O)Nc2ccccc21)C(F)(F)F ZINC000043376862 134900187 /nfs/dbraw/zinc/90/01/87/134900187.db2.gz IAZHAWFVPKGSDG-PELKAZGASA-N 1 0 287.285 2.113 10 0 CEAERO CCCOc1cncc(N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000071176176 134959466 /nfs/dbraw/zinc/95/94/66/134959466.db2.gz UZDLBYFRUIQNCM-UONOGXRCSA-N 1 0 290.411 2.376 10 0 CEAERO COc1cc(OC)cc(N2CCC[C@@H]([NH2+]C3CC3)C2)c1 ZINC000071197936 134961457 /nfs/dbraw/zinc/96/14/57/134961457.db2.gz LSXLYBOAAYMPDT-CYBMUJFWSA-N 1 0 276.380 2.425 10 0 CEAERO CC[NH2+][C@H]1CCN(Cc2nnc(C)n2C)c2ccccc21 ZINC000071377918 134965098 /nfs/dbraw/zinc/96/50/98/134965098.db2.gz KVSHKVQICNANNG-AWEZNQCLSA-N 1 0 285.395 2.184 10 0 CEAERO CC[NH2+][C@@H]1CCN(Cc2nnc(C)n2C)c2ccccc21 ZINC000071377917 134965184 /nfs/dbraw/zinc/96/51/84/134965184.db2.gz KVSHKVQICNANNG-CQSZACIVSA-N 1 0 285.395 2.184 10 0 CEAERO C[C@@]([NH3+])(CO)CCCCN1CCCc2ccccc21 ZINC000085238996 135035609 /nfs/dbraw/zinc/03/56/09/135035609.db2.gz CAUXUVYONHGJIT-INIZCTEOSA-N 1 0 262.397 2.319 10 0 CEAERO COc1ccc(OC)c(N2CC[NH2+][C@@](C)(C3CC3)C2)c1 ZINC000086123178 135038580 /nfs/dbraw/zinc/03/85/80/135038580.db2.gz GRLDFYBFKOPDFY-MRXNPFEDSA-N 1 0 276.380 2.282 10 0 CEAERO COc1cc(OC)cc(N2CC[NH2+]C3(CCCC3)C2)c1 ZINC000086122972 135038769 /nfs/dbraw/zinc/03/87/69/135038769.db2.gz KVLFWTZANIFPJP-UHFFFAOYSA-N 1 0 276.380 2.426 10 0 CEAERO COCc1ccccc1N1C[C@H](C2CC2)[NH2+]C[C@@H]1C ZINC000086225981 135039651 /nfs/dbraw/zinc/03/96/51/135039651.db2.gz DEXUTZLJAWODPP-SWLSCSKDSA-N 1 0 260.381 2.410 10 0 CEAERO C[C@H]1C[NH2+][C@H](C2CC2)CN1c1ccc(N(C)C)cc1 ZINC000086219021 135039915 /nfs/dbraw/zinc/03/99/15/135039915.db2.gz RDUCPYBNVNSWMO-LRDDRELGSA-N 1 0 259.397 2.329 10 0 CEAERO Cc1nnc(N2CCC[C@@H]3CCC[C@@H]32)c(C[NH3+])c1C ZINC000087766655 135051501 /nfs/dbraw/zinc/05/15/01/135051501.db2.gz RALXXMFGKGEPAF-JSGCOSHPSA-N 1 0 260.385 2.321 10 0 CEAERO CC[C@H]1CCCCN1c1cc(NN)[nH+]c(SC)n1 ZINC000087905608 135052119 /nfs/dbraw/zinc/05/21/19/135052119.db2.gz HHQQPWVCBNHHBM-VIFPVBQESA-N 1 0 267.402 2.253 10 0 CEAERO CC[C@H]1CCCN(c2nc(NN)[nH+]cc2Cl)C1 ZINC000087854442 135052146 /nfs/dbraw/zinc/05/21/46/135052146.db2.gz XWUZHYNPRRRRGB-QMMMGPOBSA-N 1 0 255.753 2.042 10 0 CEAERO Cc1cc(C)nc(N2CC[NH2+]CC23CCCCC3)n1 ZINC000088396607 135054180 /nfs/dbraw/zinc/05/41/80/135054180.db2.gz LLEVUCMXTKZMMW-UHFFFAOYSA-N 1 0 260.385 2.206 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1Nc1ccc(N2CCOCC2)cc1 ZINC000089147836 135058475 /nfs/dbraw/zinc/05/84/75/135058475.db2.gz MCLVHCGBROPPBA-CZUORRHYSA-N 1 0 275.396 2.063 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1ccco1 ZINC000089733165 135060589 /nfs/dbraw/zinc/06/05/89/135060589.db2.gz KYSIUIVHHLVCOI-QWHCGFSZSA-N 1 0 272.352 2.389 10 0 CEAERO C[NH2+]Cc1cc2ccccc2nc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090906778 135065771 /nfs/dbraw/zinc/06/57/71/135065771.db2.gz BYOKMYIYXMWUPW-GASCZTMLSA-N 1 0 283.375 2.322 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccc(N2C[C@H]3CC[C@@H](C2)O3)c(F)c1 ZINC000090908287 135066653 /nfs/dbraw/zinc/06/66/53/135066653.db2.gz AXCWTAYQAUFDEY-MCIONIFRSA-N 1 0 278.371 2.473 10 0 CEAERO CC[NH2+]Cc1c(C)cc(C)nc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090907755 135066817 /nfs/dbraw/zinc/06/68/17/135066817.db2.gz MUJOBWVNIUGJTE-OKILXGFUSA-N 1 0 275.396 2.176 10 0 CEAERO CCOc1cc(N2CCC[C@H]([NH+](C)C)C2)ccc1N ZINC000091391749 135068489 /nfs/dbraw/zinc/06/84/89/135068489.db2.gz SXZXNRBTUWVNQF-ZDUSSCGKSA-N 1 0 263.385 2.198 10 0 CEAERO COc1ccccc1N1CCN(CC(C)(C)[C@@H](C)[NH3+])CC1 ZINC000091402564 135068746 /nfs/dbraw/zinc/06/87/46/135068746.db2.gz NTWSEBLQZGQSSV-CQSZACIVSA-N 1 0 291.439 2.191 10 0 CEAERO C[NH2+][C@@H](C)C(C)(C)CN1CCN(c2ccccc2)CC1 ZINC000091402383 135068895 /nfs/dbraw/zinc/06/88/95/135068895.db2.gz GHOHFPGQAZFRGI-HNNXBMFYSA-N 1 0 275.440 2.443 10 0 CEAERO C[NH+](C)[C@H]1CCCN(c2c(N)cccc2Cl)C1 ZINC000091393903 135068924 /nfs/dbraw/zinc/06/89/24/135068924.db2.gz CKGRDCVLUPRFQY-JTQLQIEISA-N 1 0 253.777 2.453 10 0 CEAERO C[C@@H](O)C(C)(C)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000091405681 135069123 /nfs/dbraw/zinc/06/91/23/135069123.db2.gz GNNBVYRUEHEORF-CYBMUJFWSA-N 1 0 280.387 2.355 10 0 CEAERO C[NH2+]Cc1cncc(N2CCC3(CCCC3)CC2)n1 ZINC000091421403 135069314 /nfs/dbraw/zinc/06/93/14/135069314.db2.gz OFQSBWXAIOJOME-UHFFFAOYSA-N 1 0 260.385 2.357 10 0 CEAERO CC[C@@H]1CCCCN1c1cncc(C[NH2+]C2CC2)n1 ZINC000091419121 135069400 /nfs/dbraw/zinc/06/94/00/135069400.db2.gz SGEJYHQHGWHZFF-CQSZACIVSA-N 1 0 260.385 2.498 10 0 CEAERO Cc1cccc2c1N(C(=O)[C@H]1CC[C@@H]([NH3+])C1)CCC2 ZINC000091541552 135071614 /nfs/dbraw/zinc/07/16/14/135071614.db2.gz HFGBBJJFYMSNPR-UONOGXRCSA-N 1 0 258.365 2.402 10 0 CEAERO C[NH2+]C[C@H](C)[C@@H](C)N1CCN(c2ccccc2OC)CC1 ZINC000093068596 135078950 /nfs/dbraw/zinc/07/89/50/135078950.db2.gz NSXMVKVPKOQDGX-LSDHHAIUSA-N 1 0 291.439 2.061 10 0 CEAERO C[NH2+]C[C@@H](C)[C@@H](C)N1CCN(c2cccc(OC)c2)CC1 ZINC000093068621 135078974 /nfs/dbraw/zinc/07/89/74/135078974.db2.gz JNAOWJRRXDHMAB-HUUCEWRRSA-N 1 0 291.439 2.061 10 0 CEAERO C[NH2+]C[C@@H](C)[C@H](C)N1CCN(c2ccccc2)CC1 ZINC000093068326 135079189 /nfs/dbraw/zinc/07/91/89/135079189.db2.gz LCVDUGBUOAOYIC-CABCVRRESA-N 1 0 261.413 2.053 10 0 CEAERO [NH3+]Cc1c(F)cccc1N1CCN(c2ccccn2)CC1 ZINC000093395190 135080260 /nfs/dbraw/zinc/08/02/60/135080260.db2.gz QEAXFMAQIRMMLB-UHFFFAOYSA-N 1 0 286.354 2.006 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1CCN1c2ccccc2CCC1=O ZINC000093556451 135081744 /nfs/dbraw/zinc/08/17/44/135081744.db2.gz QURWQOYAFPLNDK-GXTWGEPZSA-N 1 0 258.365 2.483 10 0 CEAERO [NH3+]C1CCC(Nc2ccccc2N2CCOCC2)CC1 ZINC000094079660 135083084 /nfs/dbraw/zinc/08/30/84/135083084.db2.gz JVSZJDITGVEEAT-UHFFFAOYSA-N 1 0 275.396 2.205 10 0 CEAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1c1nc(Cl)ncc1F ZINC000094442794 135088940 /nfs/dbraw/zinc/08/89/40/135088940.db2.gz NWAAINJTHRCNPJ-NXEZZACHSA-N 1 0 284.766 2.332 10 0 CEAERO Fc1ccc2ncnc(N3CC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC000246219845 394511938 /nfs/dbraw/zinc/51/19/38/394511938.db2.gz YRIJLGYIDJRQAW-LBPRGKRZSA-N 1 0 272.327 2.053 10 0 CEAERO C[C@@H]1CN(c2ncccc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000251671953 394569154 /nfs/dbraw/zinc/56/91/54/394569154.db2.gz HKBRTQLBKWBJFY-PSASIEDQSA-N 1 0 259.275 2.274 10 0 CEAERO CCc1ccccc1C[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000253159164 394575438 /nfs/dbraw/zinc/57/54/38/394575438.db2.gz RBHOMLVIIUQALH-YJBOKZPZSA-N 1 0 288.435 2.402 10 0 CEAERO Cc1ncsc1C[N@H+](C)C[C@@H](O)COC(C)(C)C ZINC000066666630 394577426 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252.402 2.020 10 0 CEAERO CC[C@H](C)CN(C)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000132560245 394933800 /nfs/dbraw/zinc/93/38/00/394933800.db2.gz NDOJEXHVMZZADA-MELADBBJSA-N 1 0 269.433 2.403 10 0 CEAERO O=C(NCC1(C2CC2)CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000152357499 394995560 /nfs/dbraw/zinc/99/55/60/394995560.db2.gz IBNUYTAVJKCFBI-CQSZACIVSA-N 1 0 277.412 2.056 10 0 CEAERO Cc1cccc(OCCCC(=O)N2CC[C@@H]([NH3+])[C@@H]2C)c1 ZINC000423645137 394961555 /nfs/dbraw/zinc/96/15/55/394961555.db2.gz OAALHLWPNDTRLV-DZGCQCFKSA-N 1 0 276.380 2.102 10 0 CEAERO Cc1ccc(OCCC(=O)N2CC[C@@H]([NH3+])[C@H]2C)cc1C ZINC000423690227 394966790 /nfs/dbraw/zinc/96/67/90/394966790.db2.gz YHTIXUUPBXPQEY-UKRRQHHQSA-N 1 0 276.380 2.020 10 0 CEAERO CCC[C@H](N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C)C(=O)OCC ZINC000151842371 394979081 /nfs/dbraw/zinc/97/90/81/394979081.db2.gz MLVGEXWOZRTNAV-IHRRRGAJSA-N 1 0 270.417 2.037 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cc(OC)ccc2F)C1 ZINC000151876329 394979840 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Cc1cccc(OCC[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)c1 ZINC000398933709 395240653 /nfs/dbraw/zinc/24/06/53/395240653.db2.gz PIQNCWYDNOXMER-HRCADAONSA-N 1 0 275.392 2.467 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccns1 ZINC000404334233 395282970 /nfs/dbraw/zinc/28/29/70/395282970.db2.gz AQIPOLZEEIJEQQ-NEPJUHHUSA-N 1 0 251.399 2.202 10 0 CEAERO Cc1cccc(CC(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)c1 ZINC000186531530 395291647 /nfs/dbraw/zinc/29/16/47/395291647.db2.gz XJQYPYQUEWKJAB-HNNXBMFYSA-N 1 0 272.392 2.281 10 0 CEAERO CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1cccs1 ZINC000192941390 395396816 /nfs/dbraw/zinc/39/68/16/395396816.db2.gz GOEUBMFRPHOEOT-MNOVXSKESA-N 1 0 297.424 2.269 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCc2cccc(C)c2)C1 ZINC000194794784 395448465 /nfs/dbraw/zinc/44/84/65/395448465.db2.gz QSICDFCYHMCGMD-MRXNPFEDSA-N 1 0 289.423 2.321 10 0 CEAERO CC1CCC(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000355415952 395442263 /nfs/dbraw/zinc/44/22/63/395442263.db2.gz GZRULLHCIYUUGR-HXSCFSKGSA-N 1 0 279.428 2.443 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC1CC(c2ccccc2)C1 ZINC000648063817 395823782 /nfs/dbraw/zinc/82/37/82/395823782.db2.gz BJINHEAMGFLWNW-LBDPXKHJSA-N 1 0 272.392 2.424 10 0 CEAERO CC(C)[C@H]1CN(C(=O)C2CCC([NH3+])CC2)CCS1 ZINC000648099356 395837364 /nfs/dbraw/zinc/83/73/64/395837364.db2.gz SLCIIWCMIWXVHG-WXRRBKDZSA-N 1 0 270.442 2.104 10 0 CEAERO CCC[C@@H](C(=O)NC[C@]1(C)CCCS1)[NH+](C)C ZINC000154212552 289138384 /nfs/dbraw/zinc/13/83/84/289138384.db2.gz XPEDZQSHIOEJJK-AAEUAGOBSA-N 1 0 258.431 2.119 10 0 CEAERO CN(Cc1ccccc1F)C(=O)C1CCC([NH3+])CC1 ZINC000037655164 400117577 /nfs/dbraw/zinc/11/75/77/400117577.db2.gz FXURWFKESOIGQV-UHFFFAOYSA-N 1 0 264.344 2.302 10 0 CEAERO Cc1ccc(OC[C@@H](O)C[NH2+]CC[C@@H]2CCCO2)c(C)c1 ZINC000038096712 400123932 /nfs/dbraw/zinc/12/39/32/400123932.db2.gz WEHRVTAGCQHNDV-HOTGVXAUSA-N 1 0 293.407 2.202 10 0 CEAERO CCOC(=O)C(C(=O)OCC)[C@H](c1ccccc1)[NH+](C)C ZINC000199851171 400297508 /nfs/dbraw/zinc/29/75/08/400297508.db2.gz MMWVJMKLVCUTGJ-AWEZNQCLSA-N 1 0 293.363 2.032 10 0 CEAERO C[C@@H]1CCC[C@H](NC(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000300562227 400329477 /nfs/dbraw/zinc/32/94/77/400329477.db2.gz CMJXELLFAHXPBF-RFGFWPKPSA-N 1 0 252.402 2.446 10 0 CEAERO CN1CC[C@@H]([NH3+])[C@@H]1c1csc(Br)c1 ZINC000306418285 400333294 /nfs/dbraw/zinc/33/32/94/400333294.db2.gz TUMCURNYLRUMCE-APPZFPTMSA-N 1 0 261.188 2.215 10 0 CEAERO O[C@H]1CCCC[C@@H]1[NH+]1CCC2(CCOCC2)CC1 ZINC000335071512 296583577 /nfs/dbraw/zinc/58/35/77/296583577.db2.gz OCXBYTNWEANXBU-KBPBESRZSA-N 1 0 253.386 2.183 10 0 CEAERO C[C@@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)[C@H]1CC2CCC1CC2 ZINC000392865209 400543468 /nfs/dbraw/zinc/54/34/68/400543468.db2.gz GXIWGFWCGDQFQF-AZNFHQGKSA-N 1 0 264.413 2.458 10 0 CEAERO CCCC1(CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])CCC1 ZINC000391953485 400543929 /nfs/dbraw/zinc/54/39/29/400543929.db2.gz DDROVRVSIYMGRR-OLZOCXBDSA-N 1 0 252.402 2.448 10 0 CEAERO CCN1CCO[C@H](C[NH2+]Cc2cc(C)cc(Cl)c2)C1 ZINC000395142394 400555257 /nfs/dbraw/zinc/55/52/57/400555257.db2.gz IDKROQZSWJFQDZ-OAHLLOKOSA-N 1 0 282.815 2.459 10 0 CEAERO Cc1cc(Br)ccc1N1CC[C@@H]([NH3+])C1 ZINC000037483440 173228470 /nfs/dbraw/zinc/22/84/70/173228470.db2.gz DPPXHRRHXWLZHV-SNVBAGLBSA-N 1 0 255.159 2.295 10 0 CEAERO CC[C@@H]([NH3+])[C@@](O)(c1cc(OC)ccc1OC)C(F)(F)F ZINC000062784740 522651781 /nfs/dbraw/zinc/65/17/81/522651781.db2.gz IPRBNDSWCBOPEY-NEPJUHHUSA-N 1 0 293.285 2.191 10 0 CEAERO [NH3+]C[C@H]1CCO[C@H]1c1ccccc1Br ZINC000070674073 176000385 /nfs/dbraw/zinc/00/03/85/176000385.db2.gz OSPJECYBPGYVBQ-LDYMZIIASA-N 1 0 256.143 2.485 10 0 CEAERO CCO[C@@H]1C[C@H](N(C)C(=O)CC[C@@H](C)[NH3+])C12CCCC2 ZINC000193266689 286316484 /nfs/dbraw/zinc/31/64/84/286316484.db2.gz XZPNWOQNRRSVMH-HZSPNIEDSA-N 1 0 282.428 2.310 10 0 CEAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(F)nc1 ZINC000189436111 153095297 /nfs/dbraw/zinc/09/52/97/153095297.db2.gz AFBRTVHQIPEMQM-AWEZNQCLSA-N 1 0 274.343 2.390 10 0 CEAERO CCC(=O)CC[N@@H+]1CCC[C@H](Cc2noc(C)n2)C1 ZINC000190214855 153122234 /nfs/dbraw/zinc/12/22/34/153122234.db2.gz LDFQDCSAJDWQQC-GFCCVEGCSA-N 1 0 265.357 2.002 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC=C(C)C ZINC000190598557 153134538 /nfs/dbraw/zinc/13/45/38/153134538.db2.gz MVBQOSXKVBQJBD-ZDUSSCGKSA-N 1 0 253.390 2.078 10 0 CEAERO CCC[C@@H](C(=O)Nc1ccc(O)cc1OCC)[NH+](C)C ZINC000190977372 153153686 /nfs/dbraw/zinc/15/36/86/153153686.db2.gz QYYNUCFHXQMHGR-ZDUSSCGKSA-N 1 0 280.368 2.460 10 0 CEAERO C[C@H]([NH2+]Cc1ccc2c(c1)sc(=O)n2C)[C@@H]1CCCO1 ZINC000192470057 153208047 /nfs/dbraw/zinc/20/80/47/153208047.db2.gz TXUGZAHJQNEYEM-GWCFXTLKSA-N 1 0 292.404 2.257 10 0 CEAERO CN(C)c1ccc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000195319664 153283330 /nfs/dbraw/zinc/28/33/30/153283330.db2.gz OHTKTIKFJHUQAG-MRXNPFEDSA-N 1 0 287.407 2.063 10 0 CEAERO CCc1csc([C@@H]2CCCN(CC(=O)NC3CC3)C2)n1 ZINC000195381348 153286580 /nfs/dbraw/zinc/28/65/80/153286580.db2.gz JAIMNGVQAWWMFU-LLVKDONJSA-N 1 0 293.436 2.164 10 0 CEAERO COCCC[N@@H+]1CC[C@H](CNc2cccc(C)n2)C1 ZINC000195516305 153292098 /nfs/dbraw/zinc/29/20/98/153292098.db2.gz QKHPEYCNWKQVMP-CQSZACIVSA-N 1 0 263.385 2.160 10 0 CEAERO OCC[C@H]1CC[N@H+](CCSc2ccccc2)C1 ZINC000227571944 153345809 /nfs/dbraw/zinc/34/58/09/153345809.db2.gz PXIXVZJITHIYMX-CYBMUJFWSA-N 1 0 251.395 2.483 10 0 CEAERO OCC[C@H]1CC[N@H+](Cc2csc(-c3ccccn3)n2)C1 ZINC000227569740 153345939 /nfs/dbraw/zinc/34/59/39/153345939.db2.gz MQQPVEBZGZALSB-GFCCVEGCSA-N 1 0 289.404 2.409 10 0 CEAERO OCC[C@@H]1CC[N@H+](Cc2csc(-c3ccccn3)n2)C1 ZINC000227569731 153346024 /nfs/dbraw/zinc/34/60/24/153346024.db2.gz MQQPVEBZGZALSB-LBPRGKRZSA-N 1 0 289.404 2.409 10 0 CEAERO CCc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@@H](CCO)C1 ZINC000227572140 153347203 /nfs/dbraw/zinc/34/72/03/153347203.db2.gz VIRSUDLOKDGSMP-AWEZNQCLSA-N 1 0 290.407 2.200 10 0 CEAERO Cc1cnc(NC(=O)[C@@H]([NH3+])c2ccc(C)cc2)s1 ZINC000228075911 153354194 /nfs/dbraw/zinc/35/41/94/153354194.db2.gz WDLDQCMESJUVSH-NSHDSACASA-N 1 0 261.350 2.398 10 0 CEAERO Cc1csc(NC(=O)[C@H]([NH3+])c2ccc(C)cc2)n1 ZINC000228074666 153355517 /nfs/dbraw/zinc/35/55/17/153355517.db2.gz GSLSCJJAKBWARP-LLVKDONJSA-N 1 0 261.350 2.398 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]CC(C)(C)C[C@H](C)O)C12CCOCC2 ZINC000248907100 286383654 /nfs/dbraw/zinc/38/36/54/286383654.db2.gz BHSMUIACMCFWPV-SOUVJXGZSA-N 1 0 299.455 2.347 10 0 CEAERO c1ccc(COCCCN2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000248579374 153646594 /nfs/dbraw/zinc/64/65/94/153646594.db2.gz ODDXETFRUTZHKR-KRWDZBQOSA-N 1 0 274.408 2.373 10 0 CEAERO CC1(C)CN(C(=O)CSc2ccccc2)CC[C@H]1[NH3+] ZINC000261565892 153762211 /nfs/dbraw/zinc/76/22/11/153762211.db2.gz FYWKMNYFLHXLHU-CYBMUJFWSA-N 1 0 278.421 2.365 10 0 CEAERO Cc1csc(C(=O)N2CC[C@H]([NH3+])[C@H]2C)c1Cl ZINC000261587576 153775851 /nfs/dbraw/zinc/77/58/51/153775851.db2.gz RTFZWOZCMJAREA-SFYZADRCSA-N 1 0 258.774 2.272 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1CC(=O)N(Cc1ccccn1)C1CC1 ZINC000261646373 153796229 /nfs/dbraw/zinc/79/62/29/153796229.db2.gz JECULNDYUHWZEO-BBRMVZONSA-N 1 0 287.407 2.480 10 0 CEAERO COC[C@@]1(C(=O)N[C@H](C)c2ccccc2Cl)CC[NH2+]C1 ZINC000261672303 153807697 /nfs/dbraw/zinc/80/76/97/153807697.db2.gz FZFWCIHUOQWGNV-IAQYHMDHSA-N 1 0 296.798 2.143 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NC[C@@H]1CCc2ccccc21 ZINC000261674715 153808240 /nfs/dbraw/zinc/80/82/40/153808240.db2.gz GIWUXFRPLKGNGE-IJEWVQPXSA-N 1 0 272.392 2.208 10 0 CEAERO CC1(C)CN(Cc2noc(-c3ccccc3)n2)CC[C@@H]1[NH3+] ZINC000261748661 153832429 /nfs/dbraw/zinc/83/24/29/153832429.db2.gz SWNWDXBXUMHSSV-ZDUSSCGKSA-N 1 0 286.379 2.296 10 0 CEAERO C[NH2+][C@@H]1CCCN(Cc2cnc3c(cnn3C(C)C)c2)C1 ZINC000262130476 153915915 /nfs/dbraw/zinc/91/59/15/153915915.db2.gz YCOUHYSKFKGMOO-OAHLLOKOSA-N 1 0 287.411 2.196 10 0 CEAERO COc1ccc([C@H](C)N(C)C(=O)[C@H](C)C2C[NH2+]C2)cc1 ZINC000262299756 153938875 /nfs/dbraw/zinc/93/88/75/153938875.db2.gz ZTXAYKXSFJXPTF-NEPJUHHUSA-N 1 0 276.380 2.070 10 0 CEAERO C[C@@H](C(=O)N[C@H](C1CCCC1)C(F)(F)F)C1C[NH2+]C1 ZINC000262409656 153944771 /nfs/dbraw/zinc/94/47/71/153944771.db2.gz QNEAVAXQOZPLRN-LDYMZIIASA-N 1 0 278.318 2.079 10 0 CEAERO O=C(NC1CC[NH2+]CC1)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000262507357 153954545 /nfs/dbraw/zinc/95/45/45/153954545.db2.gz IJGJMGQNNPDOPA-ZIAGYGMSSA-N 1 0 278.783 2.312 10 0 CEAERO Cc1ccccc1[C@H](NC(=O)C1C[NH2+]C1)C(C)(C)C ZINC000263234096 154038327 /nfs/dbraw/zinc/03/83/27/154038327.db2.gz BGSRLWKQDHMJET-AWEZNQCLSA-N 1 0 260.381 2.418 10 0 CEAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2cccc3ccccc32)n1 ZINC000263269654 154044552 /nfs/dbraw/zinc/04/45/52/154044552.db2.gz SANFZEHXTFTYGT-OAHLLOKOSA-N 1 0 294.358 2.466 10 0 CEAERO C[C@@H]([NH2+]C1CC([N@@H+](CC(=O)[O-])CC2CC2)C1)C1CCC1 ZINC000263521890 154109161 /nfs/dbraw/zinc/10/91/61/154109161.db2.gz RIGNRKJDKVYFEA-VCANKDNSSA-N 1 0 280.412 2.092 10 0 CEAERO CCCC[C@@H](C)[NH2+]C1CC([N@H+](CC)CC(=O)[O-])C1 ZINC000263516367 154112573 /nfs/dbraw/zinc/11/25/73/154112573.db2.gz OVFFWNURKLHYQM-PNESKVBLSA-N 1 0 256.390 2.092 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1c1nc(C2CC2)ns1 ZINC000301966782 154183281 /nfs/dbraw/zinc/18/32/81/154183281.db2.gz VQNQMBPMPKSCJX-RYUDHWBXSA-N 1 0 278.425 2.479 10 0 CEAERO C[N@H+](CCCOc1ccc(F)cc1)[C@H]1CCC[C@H]1O ZINC000352659189 154326068 /nfs/dbraw/zinc/32/60/68/154326068.db2.gz MFSNCDWNMQIKJJ-LSDHHAIUSA-N 1 0 267.344 2.440 10 0 CEAERO C[N@H+](CCCOCc1ccccc1)[C@H]1CCC[C@H]1O ZINC000352663847 154326764 /nfs/dbraw/zinc/32/67/64/154326764.db2.gz ACCZRYFSGUWBML-JKSUJKDBSA-N 1 0 263.381 2.439 10 0 CEAERO C[C@H]([NH2+]CC1CCN(C(=O)C(C)(C)C)CC1)[C@H]1CCCO1 ZINC000161947079 162331913 /nfs/dbraw/zinc/33/19/13/162331913.db2.gz FPZVJIOJXYAZIR-DZGCQCFKSA-N 1 0 296.455 2.428 10 0 CEAERO C[C@H](C(=O)N(Cc1ccccc1F)C1CC1)C1C[NH2+]C1 ZINC000164168900 162333700 /nfs/dbraw/zinc/33/37/00/162333700.db2.gz MIDZMSSQSCGSSU-NSHDSACASA-N 1 0 276.355 2.172 10 0 CEAERO CC(C)c1csc(NC(=O)[C@H](C)C2C[NH2+]C2)n1 ZINC000164452288 162334964 /nfs/dbraw/zinc/33/49/64/162334964.db2.gz DLSQYQCTQFDGJB-MRVPVSSYSA-N 1 0 253.371 2.061 10 0 CEAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(F)c1Cl ZINC000165336619 162344416 /nfs/dbraw/zinc/34/44/16/162344416.db2.gz KIEMNCPSJCTTNR-ULKQDVFKSA-N 1 0 282.746 2.492 10 0 CEAERO CCCC[C@@H](C[NH3+])Nc1ccc(C(F)(F)F)nn1 ZINC000167124524 162356714 /nfs/dbraw/zinc/35/67/14/162356714.db2.gz UKSNFQHBNIQIAG-QMMMGPOBSA-N 1 0 262.279 2.425 10 0 CEAERO C[C@@H](CNC(=O)N1CCS[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000171434076 162384390 /nfs/dbraw/zinc/38/43/90/162384390.db2.gz KFZFCJCHEQBKAJ-KBPBESRZSA-N 1 0 299.484 2.254 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc2c(c1)CCC2 ZINC000172055293 162396953 /nfs/dbraw/zinc/39/69/53/162396953.db2.gz LDPFRPLUMMVWTG-KBXCAEBGSA-N 1 0 298.430 2.413 10 0 CEAERO c1ccc2[nH]c(CN3CC[N@@H+]4CCCC[C@H]4C3)nc2c1 ZINC000245563709 162441192 /nfs/dbraw/zinc/44/11/92/162441192.db2.gz PYHSGZQAKWRGMZ-ZDUSSCGKSA-N 1 0 270.380 2.233 10 0 CEAERO C[C@H]1CN(Cc2csc(-c3ccco3)n2)C[C@H]1[NH3+] ZINC000261548796 162545065 /nfs/dbraw/zinc/54/50/65/162545065.db2.gz DZUUYWDLVUVZOC-GXSJLCMTSA-N 1 0 263.366 2.182 10 0 CEAERO C[C@H]1CN(Cc2ccccc2OC(F)F)C[C@H]1[NH3+] ZINC000261551057 162546474 /nfs/dbraw/zinc/54/64/74/162546474.db2.gz RTKLXUWONHWSRA-GXSJLCMTSA-N 1 0 256.296 2.067 10 0 CEAERO Cc1nc(C[C@@H]2CCC[N@@H+](CCCOC(C)C)C2)no1 ZINC000171503419 165046843 /nfs/dbraw/zinc/04/68/43/165046843.db2.gz QGOFOAFRYSNSGS-AWEZNQCLSA-N 1 0 281.400 2.448 10 0 CEAERO CCCCC[C@H](C)CC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000173521581 165074018 /nfs/dbraw/zinc/07/40/18/165074018.db2.gz GGRKHRICKCQWLV-GJZGRUSLSA-N 1 0 284.444 2.382 10 0 CEAERO CCn1cnnc1[C@@H]1CCC[N@H+](CCCSC)C1 ZINC000173608510 165080227 /nfs/dbraw/zinc/08/02/27/165080227.db2.gz HVYLLKJKBMYKTD-GFCCVEGCSA-N 1 0 268.430 2.231 10 0 CEAERO CCc1nc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)sc1C ZINC000174349155 165105251 /nfs/dbraw/zinc/10/52/51/165105251.db2.gz ZPENAGYTZFMUQB-LLVKDONJSA-N 1 0 294.424 2.326 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CSC(F)(F)F ZINC000175006609 165122254 /nfs/dbraw/zinc/12/22/54/165122254.db2.gz OQCPTXDRYPEYLH-NXEZZACHSA-N 1 0 296.358 2.325 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cc(C)c(C(=O)OC)o1 ZINC000175335948 165135570 /nfs/dbraw/zinc/13/55/70/165135570.db2.gz MROKXLIBEQLXCQ-CYBMUJFWSA-N 1 0 294.395 2.291 10 0 CEAERO CCCCO[C@H](C)C(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000176970524 165179358 /nfs/dbraw/zinc/17/93/58/165179358.db2.gz CCVTZZKNIKXHFW-ZIAGYGMSSA-N 1 0 270.417 2.134 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CCCSC ZINC000177023593 165185596 /nfs/dbraw/zinc/18/55/96/165185596.db2.gz KWROTUCSRVDKNE-GFCCVEGCSA-N 1 0 258.431 2.072 10 0 CEAERO C[C@@H]([NH3+])CCNC(=O)[C@H](C)CSc1ccc(F)cc1 ZINC000178633267 165250716 /nfs/dbraw/zinc/25/07/16/165250716.db2.gz QGYJOSJGFVFGNT-GHMZBOCLSA-N 1 0 284.400 2.407 10 0 CEAERO C[C@@H]([NH3+])CCNC(=O)[C@@H](C)CSc1ccc(F)cc1 ZINC000178633246 165251845 /nfs/dbraw/zinc/25/18/45/165251845.db2.gz QGYJOSJGFVFGNT-WDEREUQCSA-N 1 0 284.400 2.407 10 0 CEAERO CC(C)(C)c1nnc(N2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000178777096 165261499 /nfs/dbraw/zinc/26/14/99/165261499.db2.gz LOPPDMDKNBXJHB-SNVBAGLBSA-N 1 0 266.414 2.120 10 0 CEAERO CC[C@H](CSC)NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000179969583 165296319 /nfs/dbraw/zinc/29/63/19/165296319.db2.gz YVTJLCSCHPPUCR-YNEHKIRRSA-N 1 0 285.457 2.006 10 0 CEAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](C)C(C)C)CC2 ZINC000180651672 165317355 /nfs/dbraw/zinc/31/73/55/165317355.db2.gz ZUQAEMPYOUXCOY-VXGBXAGGSA-N 1 0 250.390 2.350 10 0 CEAERO CC1(C)[C@H]([NH2+][C@@H]2Cc3ccccc3[C@@H]2O)[C@@H]2CCCO[C@@H]21 ZINC000181759049 165357384 /nfs/dbraw/zinc/35/73/84/165357384.db2.gz PWJSDTUIIIVFTN-NNXHMXCWSA-N 1 0 287.403 2.438 10 0 CEAERO CC(C)([NH3+])CNc1ccnc(C(=O)NCc2ccccc2)c1 ZINC000261974605 165504120 /nfs/dbraw/zinc/50/41/20/165504120.db2.gz FHLGJLFKRNJZLB-UHFFFAOYSA-N 1 0 298.390 2.161 10 0 CEAERO C[C@@H]1CC2(CCC2)C[N@@H+]1[C@@H]1CCN(C2CCOCC2)C1=O ZINC000334551773 287235484 /nfs/dbraw/zinc/23/54/84/287235484.db2.gz YRJWWEODYIQSGZ-UKRRQHHQSA-N 1 0 292.423 2.031 10 0 CEAERO C[C@H]1CCCCN1C(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000019484629 170811884 /nfs/dbraw/zinc/81/18/84/170811884.db2.gz RRPIOKXALCUYLJ-XDQVBPFNSA-N 1 0 250.386 2.308 10 0 CEAERO FC(F)Oc1ccccc1C[NH2+][C@@H]1CN2CCC1CC2 ZINC000019947976 170937519 /nfs/dbraw/zinc/93/75/19/170937519.db2.gz JGNKCPZFBVTHHC-CYBMUJFWSA-N 1 0 282.334 2.472 10 0 CEAERO COc1cc(C[NH2+]C[C@@H](C(C)C)N(C)C)ccc1O ZINC000020145412 171030114 /nfs/dbraw/zinc/03/01/14/171030114.db2.gz CIXCIELFYCUFHS-ZDUSSCGKSA-N 1 0 266.385 2.077 10 0 CEAERO CCCOc1ccc([C@H](C)[NH2+]CCNC(C)=O)cc1 ZINC000020148948 171037936 /nfs/dbraw/zinc/03/79/36/171037936.db2.gz ATJAKFKNCAGXRL-LBPRGKRZSA-N 1 0 264.369 2.262 10 0 CEAERO [NH3+]C[C@H](c1ccccc1Cl)N1CCC(CO)CC1 ZINC000020179048 171043457 /nfs/dbraw/zinc/04/34/57/171043457.db2.gz QPAVRKVSWKACEO-CQSZACIVSA-N 1 0 268.788 2.044 10 0 CEAERO C=COCCC[NH2+]Cc1ccc(OC)c(OC)c1OC ZINC000020197045 171061373 /nfs/dbraw/zinc/06/13/73/171061373.db2.gz QINOHWSJZXTWFG-UHFFFAOYSA-N 1 0 281.352 2.352 10 0 CEAERO C=COCCC[NH2+]Cc1cc(OC)cc(OC)c1 ZINC000020197663 171061807 /nfs/dbraw/zinc/06/18/07/171061807.db2.gz QJUWTWOJYHNKKM-UHFFFAOYSA-N 1 0 251.326 2.344 10 0 CEAERO COc1ccc(C(=O)Nc2ccc(OCC[NH3+])cc2)cc1 ZINC000020224547 171087625 /nfs/dbraw/zinc/08/76/25/171087625.db2.gz MOAJTZUADNOPET-UHFFFAOYSA-N 1 0 286.331 2.285 10 0 CEAERO [NH3+]C[C@H](c1ccccc1Cl)N1CCSCC1 ZINC000020257092 171111811 /nfs/dbraw/zinc/11/18/11/171111811.db2.gz RJHFPKYMNFDIIM-GFCCVEGCSA-N 1 0 256.802 2.389 10 0 CEAERO Nc1cccc(NC(=O)CCC[NH+]2CCSCC2)c1 ZINC000020256928 171111963 /nfs/dbraw/zinc/11/19/63/171111963.db2.gz OUGRCQWGXFMXFG-UHFFFAOYSA-N 1 0 279.409 2.036 10 0 CEAERO [NH3+]CCCc1nn2c(nnc2C2CCCCC2)s1 ZINC000020272974 171127582 /nfs/dbraw/zinc/12/75/82/171127582.db2.gz PCPQSMVGEZEMCV-UHFFFAOYSA-N 1 0 265.386 2.125 10 0 CEAERO CC(C)CCNC(=O)[C@@H](C)NCC[NH+](C(C)C)C(C)C ZINC000020365908 171164510 /nfs/dbraw/zinc/16/45/10/171164510.db2.gz YBBLFMDAKBUARX-OAHLLOKOSA-N 1 0 285.476 2.246 10 0 CEAERO CCN(CC)C(=O)[C@H](C)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000020367505 171165682 /nfs/dbraw/zinc/16/56/82/171165682.db2.gz XLPIEPCPHBJCSK-GJZGRUSLSA-N 1 0 283.460 2.097 10 0 CEAERO CN(C)[C@@H](C[NH3+])COc1ccccc1C(C)(C)C ZINC000020400048 171181517 /nfs/dbraw/zinc/18/15/17/171181517.db2.gz WURCJYJUKSOUPW-LBPRGKRZSA-N 1 0 250.386 2.252 10 0 CEAERO C[C@@H](Oc1ccccc1[C@H](C)[NH3+])C(=O)NC(C)(C)C ZINC000020419506 171184544 /nfs/dbraw/zinc/18/45/44/171184544.db2.gz MGWLKKFNKHJKKF-WDEREUQCSA-N 1 0 264.369 2.388 10 0 CEAERO CC(=O)Nc1cccc(N[C@H]2C[NH+]3CCC2CC3)c1 ZINC000020440860 171203961 /nfs/dbraw/zinc/20/39/61/171203961.db2.gz XVMGBQAOXATUAZ-HNNXBMFYSA-N 1 0 259.353 2.151 10 0 CEAERO C(C[NH2+][C@@H]1CN2CCC1CC2)COC1CCCCC1 ZINC000020441831 171205412 /nfs/dbraw/zinc/20/54/12/171205412.db2.gz FKVLDHNDJXZHSR-MRXNPFEDSA-N 1 0 266.429 2.410 10 0 CEAERO CC(C)C1N=NC(=S)N1CC(C)(C)C[NH+](C)C ZINC000020588897 171260443 /nfs/dbraw/zinc/26/04/43/171260443.db2.gz ANCBMISPDKZCJJ-UHFFFAOYSA-N 1 0 256.419 2.278 10 0 CEAERO CN(CC[NH+](C)C)c1ccc(Br)cc1C=O ZINC000021988758 171346045 /nfs/dbraw/zinc/34/60/45/171346045.db2.gz QWSMFIWJNNADIH-UHFFFAOYSA-N 1 0 285.185 2.259 10 0 CEAERO COc1ccc(OC)c([C@H](C)N2CCC[NH2+]CC2)c1 ZINC000022045560 171350843 /nfs/dbraw/zinc/35/08/43/171350843.db2.gz UYZULWOHCQQISL-LBPRGKRZSA-N 1 0 264.369 2.060 10 0 CEAERO [NH3+]Cc1ccccc1OCC(=O)Nc1ccccc1F ZINC000022165981 171365936 /nfs/dbraw/zinc/36/59/36/171365936.db2.gz VULBMGKQCUFAPM-UHFFFAOYSA-N 1 0 274.295 2.302 10 0 CEAERO [NH3+]Cc1ccccc1OCC(=O)Nc1ccc(F)cc1F ZINC000022171665 171368237 /nfs/dbraw/zinc/36/82/37/171368237.db2.gz YBVVNBNORGBOMX-UHFFFAOYSA-N 1 0 292.285 2.441 10 0 CEAERO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCCCC2)c(N)c1 ZINC000022177895 171371634 /nfs/dbraw/zinc/37/16/34/171371634.db2.gz KKRNFZDCNXEPAN-LLVKDONJSA-N 1 0 277.368 2.090 10 0 CEAERO COc1cc(N)ccc1NC(=O)CCC[NH+]1CCCCC1 ZINC000022209917 171372785 /nfs/dbraw/zinc/37/27/85/171372785.db2.gz RLLHNTURYXGGQK-UHFFFAOYSA-N 1 0 291.395 2.482 10 0 CEAERO CCN(CC)[C@H](C[NH3+])c1ccc(OC)c(OC)c1OC ZINC000022213095 171374327 /nfs/dbraw/zinc/37/43/27/171374327.db2.gz VHKICFNLUVHUBM-GFCCVEGCSA-N 1 0 282.384 2.054 10 0 CEAERO C[C@H]1CN([C@@H](C[NH3+])c2ccccc2Cl)CCO1 ZINC000022212779 171374604 /nfs/dbraw/zinc/37/46/04/171374604.db2.gz NJQZAIVCQWSJIE-GWCFXTLKSA-N 1 0 254.761 2.061 10 0 CEAERO CC(=O)Nc1ccccc1Oc1ccc(C[NH3+])cn1 ZINC000022215633 171375193 /nfs/dbraw/zinc/37/51/93/171375193.db2.gz LPPZRWHAXKYKOC-UHFFFAOYSA-N 1 0 257.293 2.291 10 0 CEAERO [NH3+][C@H](CN1CCCCC1)c1ccc2c(c1)OCCCO2 ZINC000022562920 171391185 /nfs/dbraw/zinc/39/11/85/171391185.db2.gz CXDCXRFTAJGMRK-CQSZACIVSA-N 1 0 276.380 2.334 10 0 CEAERO CC(C)(C)c1ccc([C@@H]([NH3+])CN2CCOCC2)cc1 ZINC000022565746 171391944 /nfs/dbraw/zinc/39/19/44/171391944.db2.gz CUTMVRQOBXMPTM-HNNXBMFYSA-N 1 0 262.397 2.316 10 0 CEAERO [NH3+]CCc1c(I)[nH]c2ccccc21 ZINC000034461273 171840892 /nfs/dbraw/zinc/84/08/92/171840892.db2.gz ROKYBBQYYSUIMP-UHFFFAOYSA-N 1 0 286.116 2.274 10 0 CEAERO C[NH2+]Cc1ccc(OCc2ccncc2)c(OC)c1 ZINC000034653481 171848270 /nfs/dbraw/zinc/84/82/70/171848270.db2.gz SOONWCKKEWYCQJ-UHFFFAOYSA-N 1 0 258.321 2.389 10 0 CEAERO CCN(C(=O)c1ccccn1)c1ccc(C[NH3+])cc1 ZINC000034654123 171848658 /nfs/dbraw/zinc/84/86/58/171848658.db2.gz XJTXZEWYDLVSRY-UHFFFAOYSA-N 1 0 255.321 2.207 10 0 CEAERO O=C(C[NH2+][C@H]1CCCc2ccccc21)N1CCCC1 ZINC000035179719 172032550 /nfs/dbraw/zinc/03/25/50/172032550.db2.gz UIAOCSUHANBWPO-HNNXBMFYSA-N 1 0 258.365 2.276 10 0 CEAERO CCN(CC)C(=O)[C@@H](C)[NH2+][C@H]1CCc2ccccc2C1 ZINC000035223334 172067207 /nfs/dbraw/zinc/06/72/07/172067207.db2.gz HNHQHSGKXAHTKQ-CJNGLKHVSA-N 1 0 274.408 2.390 10 0 CEAERO [NH3+]Cc1cnc(-c2cccc(Br)c2)nc1 ZINC000035323085 172125638 /nfs/dbraw/zinc/12/56/38/172125638.db2.gz PGTCSKHTPXJNAX-UHFFFAOYSA-N 1 0 264.126 2.365 10 0 CEAERO CC(C)[NH2+]Cc1c(-n2ccnc2)nc2ccccn21 ZINC000035449765 172203934 /nfs/dbraw/zinc/20/39/34/172203934.db2.gz GGRMPADTHGZAMI-UHFFFAOYSA-N 1 0 255.325 2.018 10 0 CEAERO C[NH2+][C@@H](c1ccccc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000035488412 172222882 /nfs/dbraw/zinc/22/28/82/172222882.db2.gz VOVDOBLSVGRWMM-AWEZNQCLSA-N 1 0 253.305 2.165 10 0 CEAERO C[NH2+][C@@H](CC(F)(F)F)c1ccc2c(c1)CC(=O)N2 ZINC000035495956 172228649 /nfs/dbraw/zinc/22/86/49/172228649.db2.gz YCDLBIMILPNXMW-JTQLQIEISA-N 1 0 258.243 2.394 10 0 CEAERO CC(C)(C)OC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000035571745 172267511 /nfs/dbraw/zinc/26/75/11/172267511.db2.gz PODWONBIEUIEAX-QWHCGFSZSA-N 1 0 280.343 2.487 10 0 CEAERO C[NH2+][C@H](C)c1cccc(S(=O)(=O)NC(C)(C)C)c1 ZINC000035632790 172315319 /nfs/dbraw/zinc/31/53/19/172315319.db2.gz IJQGHBZEJWLOLB-SNVBAGLBSA-N 1 0 270.398 2.044 10 0 CEAERO CCCNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC)cc1 ZINC000035632740 172315563 /nfs/dbraw/zinc/31/55/63/172315563.db2.gz GXKCOPCACIHZCH-NSHDSACASA-N 1 0 270.398 2.045 10 0 CEAERO CNC(=O)[C@@H](C)Oc1c(Cl)cc(Cl)cc1C[NH2+]C ZINC000035661988 172340299 /nfs/dbraw/zinc/34/02/99/172340299.db2.gz UJHIYFZOXLQCKR-SSDOTTSWSA-N 1 0 291.178 2.226 10 0 CEAERO C[NH2+]Cc1cc(OC)c(OCC(C)C)c(OC)c1 ZINC000035662983 172341515 /nfs/dbraw/zinc/34/15/15/172341515.db2.gz QGHLWSHDDSMPRM-UHFFFAOYSA-N 1 0 253.342 2.458 10 0 CEAERO C[C@H](NC(=O)c1ccc(F)cc1F)[C@H]1CCCC[NH2+]1 ZINC000035690748 172359413 /nfs/dbraw/zinc/35/94/13/172359413.db2.gz OZAKIXQPCIUODI-TVQRCGJNSA-N 1 0 268.307 2.225 10 0 CEAERO C[C@H]([NH2+]CC(=O)N1CCc2sccc2C1)C1CC1 ZINC000035733566 172384803 /nfs/dbraw/zinc/38/48/03/172384803.db2.gz GQPWALHUUGCCDD-JTQLQIEISA-N 1 0 264.394 2.021 10 0 CEAERO C[NH2+]CCCNC(=O)c1cc(Cl)cn1C(C)C ZINC000036857413 172755755 /nfs/dbraw/zinc/75/57/55/172755755.db2.gz AGZPLAYMGDSQBV-UHFFFAOYSA-N 1 0 257.765 2.062 10 0 CEAERO CCC[NH+]1CCC(N[C@@H](C(=O)OC)[C@H](C)CC)CC1 ZINC000037102675 172956547 /nfs/dbraw/zinc/95/65/47/172956547.db2.gz IQLMYGUJJLARLU-TZMCWYRMSA-N 1 0 270.417 2.038 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)C1(C)CC1 ZINC000037169252 173003708 /nfs/dbraw/zinc/00/37/08/173003708.db2.gz XURJVCZVWQKBKK-WCQYABFASA-N 1 0 263.385 2.031 10 0 CEAERO [NH3+]C[C@H](N1CC[C@@H]2CCCC[C@@H]2C1)C(F)(F)F ZINC000037169716 173004819 /nfs/dbraw/zinc/00/48/19/173004819.db2.gz DVFQWPHYULVOOW-AXFHLTTASA-N 1 0 250.308 2.388 10 0 CEAERO [NH3+]CC[C@@H](N1CCc2ccccc2C1)C(F)(F)F ZINC000037178373 173012019 /nfs/dbraw/zinc/01/20/19/173012019.db2.gz WCCBLTDFBSESCX-GFCCVEGCSA-N 1 0 258.287 2.324 10 0 CEAERO CC(C)C[NH2+][C@H]1CCS(=O)(=O)c2ccccc21 ZINC000037186726 173017535 /nfs/dbraw/zinc/01/75/35/173017535.db2.gz FGQFKDNRMYZLAP-LBPRGKRZSA-N 1 0 253.367 2.151 10 0 CEAERO COC[C@@H](C)[NH2+]Cc1c(C)nc2scc(C)n12 ZINC000037196144 173024373 /nfs/dbraw/zinc/02/43/73/173024373.db2.gz ZRBPPZVWNJJLOJ-MRVPVSSYSA-N 1 0 253.371 2.137 10 0 CEAERO Cc1csc2nc(C)c(CNCCC[NH+](C)C)n12 ZINC000037213633 173034292 /nfs/dbraw/zinc/03/42/92/173034292.db2.gz WPNSERCLLAPOOI-UHFFFAOYSA-N 1 0 266.414 2.054 10 0 CEAERO COc1ccc2c(c1)[C@H](NCCC[NH+](C)C)CCO2 ZINC000037213724 173034833 /nfs/dbraw/zinc/03/48/33/173034833.db2.gz MIJWEXSWOXCHSK-CQSZACIVSA-N 1 0 264.369 2.060 10 0 CEAERO CCCNC(=O)C[NH2+][C@@H]1CSCc2ccccc21 ZINC000037262721 173072551 /nfs/dbraw/zinc/07/25/51/173072551.db2.gz QUCXLWZLTMHITE-CYBMUJFWSA-N 1 0 264.394 2.090 10 0 CEAERO CCNC(=O)[C@@H](C)[NH2+][C@@H]1CSCc2ccccc21 ZINC000037268750 173080001 /nfs/dbraw/zinc/08/00/01/173080001.db2.gz KERLFNVHDUNGSK-ZWNOBZJWSA-N 1 0 264.394 2.089 10 0 CEAERO C[NH+](C)CC(C)(C)CNCc1ccc2c(c1)OCO2 ZINC000037301928 173107587 /nfs/dbraw/zinc/10/75/87/173107587.db2.gz AAYOYEOVLJVXPK-UHFFFAOYSA-N 1 0 264.369 2.093 10 0 CEAERO CCC[NH2+]C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000037370688 173160305 /nfs/dbraw/zinc/16/03/05/173160305.db2.gz AKTAFTQAEIFUEI-HOCLYGCPSA-N 1 0 263.381 2.441 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000037394584 173175029 /nfs/dbraw/zinc/17/50/29/173175029.db2.gz OAXSHWXRLKXFLE-BFHYXJOUSA-N 1 0 252.402 2.413 10 0 CEAERO CCn1c2ccc(Cl)cc2nc1[C@H]([NH3+])[C@H](C)O ZINC000037440421 173210078 /nfs/dbraw/zinc/21/00/78/173210078.db2.gz UAPLLFLHTXDLCX-WRWORJQWSA-N 1 0 253.733 2.090 10 0 CEAERO C[C@@H]([NH2+]Cc1cccs1)C(=O)N1CCCCC1 ZINC000037466965 173226792 /nfs/dbraw/zinc/22/67/92/173226792.db2.gz VVYGVEPMJWPXES-LLVKDONJSA-N 1 0 252.383 2.239 10 0 CEAERO C[C@@H]([NH3+])CC(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000037476503 173228313 /nfs/dbraw/zinc/22/83/13/173228313.db2.gz WGJRROFXXPGZEJ-BDAKNGLRSA-N 1 0 285.185 2.364 10 0 CEAERO CC(C)(C)OC[C@@H](O)C[NH2+]CCCc1ccccc1 ZINC000037485801 173229328 /nfs/dbraw/zinc/22/93/28/173229328.db2.gz ITPYVDVPYKGDKW-HNNXBMFYSA-N 1 0 265.397 2.385 10 0 CEAERO CCN(C(=O)C12CC3CC(CC(C3)C1)C2)[C@H]1CC[NH2+]C1 ZINC000037539922 173261583 /nfs/dbraw/zinc/26/15/83/173261583.db2.gz WISMMLFVDVZHRC-RDVIWEACSA-N 1 0 276.424 2.413 10 0 CEAERO C[NH2+]CCCC(=O)Nc1cccc(-n2cccc2)c1 ZINC000037611488 173559425 /nfs/dbraw/zinc/55/94/25/173559425.db2.gz KOEGKOOSNNVUEI-UHFFFAOYSA-N 1 0 257.337 2.415 10 0 CEAERO CCNS(=O)(=O)c1cccc([C@@H](CC)[NH2+]CC)c1 ZINC000037682241 173617222 /nfs/dbraw/zinc/61/72/22/173617222.db2.gz ALIQMDLAUHEPQJ-CYBMUJFWSA-N 1 0 270.398 2.045 10 0 CEAERO CC[C@@H]([NH3+])C(=O)N(CC)[C@H](C)c1cccc(O)c1 ZINC000037827115 173784575 /nfs/dbraw/zinc/78/45/75/173784575.db2.gz QMHPZPICGVYRQM-ZWNOBZJWSA-N 1 0 250.342 2.039 10 0 CEAERO C[C@@]([NH2+]CC1CC1)(C(N)=O)c1ccc(Br)cc1 ZINC000037952190 173894795 /nfs/dbraw/zinc/89/47/95/173894795.db2.gz AEMOZXQAJMVUQW-ZDUSSCGKSA-N 1 0 297.196 2.149 10 0 CEAERO C[C@@]([NH2+]C1CCCCC1)(C(N)=O)c1cccc(F)c1 ZINC000037971300 173922664 /nfs/dbraw/zinc/92/26/64/173922664.db2.gz VBBBXPVRXXRPAB-HNNXBMFYSA-N 1 0 264.344 2.449 10 0 CEAERO C([NH2+][C@H]1CC[C@@H]2CCCC[C@@H]2C1)[C@@H]1COCCO1 ZINC000037998208 173960969 /nfs/dbraw/zinc/96/09/69/173960969.db2.gz NGDJNIWOALGADT-LJISPDSOSA-N 1 0 253.386 2.350 10 0 CEAERO COc1ccc(C[C@@H](C)[NH2+]Cc2nc(C)no2)cc1OC ZINC000038034294 174032776 /nfs/dbraw/zinc/03/27/76/174032776.db2.gz SHJIBVIOPZTFLI-SNVBAGLBSA-N 1 0 291.351 2.116 10 0 CEAERO C[C@@H](NC[C@H](C)C[NH+]1CCCCC1)c1cc[nH]n1 ZINC000038041605 174043743 /nfs/dbraw/zinc/04/37/43/174043743.db2.gz NUCOFZMDKUDUMJ-QWHCGFSZSA-N 1 0 250.390 2.182 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)cc1O ZINC000038049191 174059765 /nfs/dbraw/zinc/05/97/65/174059765.db2.gz RDUBPSXUARIZTG-MNOVXSKESA-N 1 0 268.744 2.045 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)CCc1c[nH]c2ccccc12 ZINC000038049137 174059825 /nfs/dbraw/zinc/05/98/25/174059825.db2.gz MPSDANAJYRLGGC-HOCLYGCPSA-N 1 0 285.391 2.487 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)Cc1ccc(Cl)cc1 ZINC000038049522 174060395 /nfs/dbraw/zinc/06/03/95/174060395.db2.gz WCHIFKNYNJRFPB-QWHCGFSZSA-N 1 0 266.772 2.269 10 0 CEAERO [NH3+]Cc1cccc(OCCn2cc(Cl)cn2)c1 ZINC000038053342 174065418 /nfs/dbraw/zinc/06/54/18/174065418.db2.gz JLSLUXRQPXSAQZ-UHFFFAOYSA-N 1 0 251.717 2.074 10 0 CEAERO NC(=O)CCCC[C@@H]([NH3+])c1ccc2c(c1)CCCO2 ZINC000038058272 174068971 /nfs/dbraw/zinc/06/89/71/174068971.db2.gz HITUQDGICKZUEG-CYBMUJFWSA-N 1 0 262.353 2.057 10 0 CEAERO O[C@H](C[NH2+]CCc1ccco1)COC1CCCCC1 ZINC000038059367 174069391 /nfs/dbraw/zinc/06/93/91/174069391.db2.gz VQITUOWBIZNUEZ-CYBMUJFWSA-N 1 0 267.369 2.122 10 0 CEAERO CC[C@@H](C)[NH2+][C@](CC)(C(N)=O)c1ccc(OC)cc1 ZINC000038065580 174076958 /nfs/dbraw/zinc/07/69/58/174076958.db2.gz POAVCPZZLSHWIU-ABAIWWIYSA-N 1 0 264.369 2.174 10 0 CEAERO C[C@H](c1ccccc1OC(F)F)N1CC[NH2+]CC1 ZINC000038086730 174097672 /nfs/dbraw/zinc/09/76/72/174097672.db2.gz DQKKQGOSVFWKKN-SNVBAGLBSA-N 1 0 256.296 2.254 10 0 CEAERO COc1cc([C@@H](C)[NH2+]C[C@@H](C)N(C)C)ccc1O ZINC000038088650 174101379 /nfs/dbraw/zinc/10/13/79/174101379.db2.gz ZRCHOJUSOVPNPW-GHMZBOCLSA-N 1 0 252.358 2.002 10 0 CEAERO O[C@H](C[NH2+]CC[C@@H]1CCCO1)c1ccc(F)cc1F ZINC000038096787 174111146 /nfs/dbraw/zinc/11/11/46/174111146.db2.gz YOWQZKURTXUFGC-SMDDNHRTSA-N 1 0 271.307 2.157 10 0 CEAERO CC[NH2+][C@H](CCOC)Cc1ccc(OC)c(OC)c1 ZINC000038131534 174132274 /nfs/dbraw/zinc/13/22/74/174132274.db2.gz WZYXGMPBPDTPPB-CYBMUJFWSA-N 1 0 267.369 2.261 10 0 CEAERO O=C([C@@H]1CCC[NH2+]C1)N(Cc1ccsc1)C1CC1 ZINC000040492058 174292711 /nfs/dbraw/zinc/29/27/11/174292711.db2.gz XPULSBUEOOTETQ-GFCCVEGCSA-N 1 0 264.394 2.239 10 0 CEAERO COC(=O)[C@@H](C)C[NH2+][C@H](C)COc1ccc(C)cc1 ZINC000040499746 174296454 /nfs/dbraw/zinc/29/64/54/174296454.db2.gz BQKPEKILXFCEDV-QWHCGFSZSA-N 1 0 265.353 2.161 10 0 CEAERO CCN1CCC[C@@H]([NH2+]Cc2cnn(C(C)(C)C)c2)C1 ZINC000040502960 174298872 /nfs/dbraw/zinc/29/88/72/174298872.db2.gz APUKEIJVWHODKB-CQSZACIVSA-N 1 0 264.417 2.212 10 0 CEAERO CC[N@@H+]1CCC[C@H](Nc2ccc(S(=O)(=O)CC)cc2)C1 ZINC000040503125 174299975 /nfs/dbraw/zinc/29/99/75/174299975.db2.gz ULAMKHAZGKWJQF-AWEZNQCLSA-N 1 0 296.436 2.376 10 0 CEAERO CCCCOCC[NH2+][C@@H](C)C(=O)N[C@@H](C)CCC ZINC000040507352 174302831 /nfs/dbraw/zinc/30/28/31/174302831.db2.gz IBSMDDQLCMEOMI-STQMWFEESA-N 1 0 258.406 2.086 10 0 CEAERO CC[N@@H+]1CC[C@H](CNc2nc(C)cc(C)c2C(N)=S)C1 ZINC000040514881 174306611 /nfs/dbraw/zinc/30/66/11/174306611.db2.gz KUFXNIRKOTUMNH-GFCCVEGCSA-N 1 0 292.452 2.086 10 0 CEAERO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc(Cl)ccc2N)C1 ZINC000040620394 174354312 /nfs/dbraw/zinc/35/43/12/174354312.db2.gz MMESXVAOLBJQEL-LLVKDONJSA-N 1 0 295.814 2.382 10 0 CEAERO Cc1c(N)cccc1C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000040620408 174354500 /nfs/dbraw/zinc/35/45/00/174354500.db2.gz ZCMJCRHWXWAQFX-ZDUSSCGKSA-N 1 0 275.396 2.037 10 0 CEAERO Cc1sc(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1N ZINC000040620611 174354816 /nfs/dbraw/zinc/35/48/16/174354816.db2.gz MBMQGRVDUIBVOB-NSHDSACASA-N 1 0 281.425 2.099 10 0 CEAERO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccc(OC(C)C)cc2C)C1 ZINC000040634356 174360447 /nfs/dbraw/zinc/36/04/47/174360447.db2.gz LJRLCFZGAPVNCR-DZGCQCFKSA-N 1 0 292.379 2.098 10 0 CEAERO CCSc1ccccc1NC(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000040634326 174360566 /nfs/dbraw/zinc/36/05/66/174360566.db2.gz YARVEEGCFRRLEJ-ZYHUDNBSSA-N 1 0 280.393 2.114 10 0 CEAERO CO[C@@H]1C[NH2+][C@@H](C(=O)N(C)[C@@H](C)c2ccccc2Cl)C1 ZINC000040635315 174361023 /nfs/dbraw/zinc/36/10/23/174361023.db2.gz ATKWKWWICYPEBB-COPLHBTASA-N 1 0 296.798 2.236 10 0 CEAERO CCN(Cc1ccccc1Cl)C(=O)[C@@H]1C[C@H](OC)C[NH2+]1 ZINC000040635368 174361146 /nfs/dbraw/zinc/36/11/46/174361146.db2.gz WAINXJGHGDMUGU-JSGCOSHPSA-N 1 0 296.798 2.065 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](c2nc(-c3ccc(C)cc3)c[nH]2)C1 ZINC000040637723 174362095 /nfs/dbraw/zinc/36/20/95/174362095.db2.gz MSJNPQVFESXZNU-STQMWFEESA-N 1 0 257.337 2.435 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](CN2CCC(Cc3ccccc3)CC2)C1 ZINC000040637450 174362119 /nfs/dbraw/zinc/36/21/19/174362119.db2.gz QOVUDVWCJGCRPM-ROUUACIJSA-N 1 0 288.435 2.318 10 0 CEAERO C[C@H]([NH2+]CCc1nccn1C)c1ccc2c(c1)OCCO2 ZINC000040638741 174363077 /nfs/dbraw/zinc/36/30/77/174363077.db2.gz KINAMCBNSNQXEX-LBPRGKRZSA-N 1 0 287.363 2.085 10 0 CEAERO COC(C[NH2+]Cc1cccc(OC(C)C)c1)OC ZINC000040640565 174364446 /nfs/dbraw/zinc/36/44/46/174364446.db2.gz MKMYGSAXHLRXEF-UHFFFAOYSA-N 1 0 253.342 2.182 10 0 CEAERO C[C@@H]([NH2+]C(C)(C)C(N)=O)c1cccc(Br)c1 ZINC000040674054 174372488 /nfs/dbraw/zinc/37/24/88/174372488.db2.gz FPUVQNSUMVCDKU-MRVPVSSYSA-N 1 0 285.185 2.364 10 0 CEAERO CCOC1CCN(C[C@H]([NH3+])c2ccccc2OC)CC1 ZINC000040689336 174376596 /nfs/dbraw/zinc/37/65/96/174376596.db2.gz FPGBJXSWHHHNDN-HNNXBMFYSA-N 1 0 278.396 2.196 10 0 CEAERO O=C(c1ccc(O)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000040694392 174377980 /nfs/dbraw/zinc/37/79/80/174377980.db2.gz OEIRZFXCWHISIZ-UHFFFAOYSA-N 1 0 288.391 2.483 10 0 CEAERO Cc1c(C)n([C@@H]2CCC[N@@H+](C)C2)c2nc(C)nc(N)c12 ZINC000040716086 174383419 /nfs/dbraw/zinc/38/34/19/174383419.db2.gz XERNSVIQSCOGLN-GFCCVEGCSA-N 1 0 273.384 2.205 10 0 CEAERO C[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2N)C1 ZINC000040716812 174384343 /nfs/dbraw/zinc/38/43/43/174384343.db2.gz LOXLWPSMZHQJQV-SECBINFHSA-N 1 0 267.760 2.203 10 0 CEAERO CCc1c(C)nn(C[C@@H]([NH3+])c2ccc3c(c2)OCO3)c1C ZINC000040732280 174388691 /nfs/dbraw/zinc/38/86/91/174388691.db2.gz YVLCDVXSMQICDC-CQSZACIVSA-N 1 0 287.363 2.491 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Br)o1 ZINC000040749636 174394471 /nfs/dbraw/zinc/39/44/71/174394471.db2.gz KIDHMCAAKMQLBC-CBLAIPOGSA-N 1 0 299.168 2.136 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)/C=C/c1ccccc1 ZINC000040749606 174394500 /nfs/dbraw/zinc/39/45/00/174394500.db2.gz YYTQGHJDXFXBCF-YBOJGKAJSA-N 1 0 256.349 2.181 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1nc(-c2cccs2)no1 ZINC000040750268 174394635 /nfs/dbraw/zinc/39/46/35/174394635.db2.gz HTFSGKDUCIBBJM-FGWVZKOKSA-N 1 0 290.392 2.252 10 0 CEAERO Oc1ccc2c(c1)OC[C@@H]2NCC[NH+]1CCCCCC1 ZINC000040767466 174398109 /nfs/dbraw/zinc/39/81/09/174398109.db2.gz YQUNDFZFVJSFCP-HNNXBMFYSA-N 1 0 276.380 2.291 10 0 CEAERO C[C@H]([NH3+])CC(=O)Nc1cccc(NC(=O)C(C)(C)C)c1 ZINC000040856368 174423712 /nfs/dbraw/zinc/42/37/12/174423712.db2.gz CBFMQGWQNFGGMA-JTQLQIEISA-N 1 0 277.368 2.347 10 0 CEAERO COc1cccc(C[N@@H+]2C[C@H](C)C[C@@H](O)C2)c1F ZINC000401783628 414753255 /nfs/dbraw/zinc/75/32/55/414753255.db2.gz CGUUQWMBNAYIFK-ZYHUDNBSSA-N 1 0 253.317 2.037 10 0 CEAERO CC(C)([NH3+])c1cn(Cc2ncc(-c3ccccc3)o2)nn1 ZINC000070118161 414766345 /nfs/dbraw/zinc/76/63/45/414766345.db2.gz DQTMTSSTCJDOQL-UHFFFAOYSA-N 1 0 283.335 2.175 10 0 CEAERO CC(C)c1ccc(CN2CC[C@@H]3OCC[NH2+][C@H]3C2)cc1 ZINC000404061569 414772154 /nfs/dbraw/zinc/77/21/54/414772154.db2.gz DFCNHXMNXGVCCG-IRXDYDNUSA-N 1 0 274.408 2.373 10 0 CEAERO CCOc1ccc(CN2CC[NH2+]CC2)cc1Br ZINC000041166543 174504555 /nfs/dbraw/zinc/50/45/55/174504555.db2.gz VUELNIIMAFQXKN-UHFFFAOYSA-N 1 0 299.212 2.253 10 0 CEAERO COc1ccc(NC[C@H]2CCC[NH2+]C2)c(OC)c1 ZINC000041306858 174516253 /nfs/dbraw/zinc/51/62/53/174516253.db2.gz FBWASMWKHSHZQS-NSHDSACASA-N 1 0 250.342 2.115 10 0 CEAERO C[C@@H]1CN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CCc2ccccc21 ZINC000404846578 414791475 /nfs/dbraw/zinc/79/14/75/414791475.db2.gz PAAAMYPVOMIOHL-VHDGCEQUSA-N 1 0 272.392 2.302 10 0 CEAERO O=C(NC[C@@H]1CC[NH2+]C1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000125921662 414798514 /nfs/dbraw/zinc/79/85/14/414798514.db2.gz KFQHDHDVPPYFOI-OUAUKWLOSA-N 1 0 278.318 2.081 10 0 CEAERO CN(C(=O)c1ccc(Cl)cc1)[C@H](C[NH3+])C(F)(F)F ZINC000662974972 414814929 /nfs/dbraw/zinc/81/49/29/414814929.db2.gz CHVOYGHSFZZBKU-SECBINFHSA-N 1 0 280.677 2.302 10 0 CEAERO C[C@@H]([NH3+])CNc1ccnc2cc(Br)cnc21 ZINC000130605307 414816026 /nfs/dbraw/zinc/81/60/26/414816026.db2.gz QAPPQEUDOJHGFI-SSDOTTSWSA-N 1 0 281.157 2.151 10 0 CEAERO Cc1ccc(C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)s1 ZINC000662978254 414816932 /nfs/dbraw/zinc/81/69/32/414816932.db2.gz ZZGMXRXOQVSAEJ-QMMMGPOBSA-N 1 0 266.288 2.018 10 0 CEAERO CN(C(=O)c1ccc2[nH]ccc2c1)[C@@H](C[NH3+])C(F)(F)F ZINC000662987025 414818097 /nfs/dbraw/zinc/81/80/97/414818097.db2.gz LGFONZAKPZULFS-NSHDSACASA-N 1 0 285.269 2.130 10 0 CEAERO CN(C(=O)c1sccc1Cl)[C@H](C[NH3+])C(F)(F)F ZINC000662983457 414818491 /nfs/dbraw/zinc/81/84/91/414818491.db2.gz CJDAPLVBVIGZTD-ZCFIWIBFSA-N 1 0 286.706 2.363 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1ccnc2ccccc21 ZINC000132786124 414824354 /nfs/dbraw/zinc/82/43/54/414824354.db2.gz JSBSTJHKULLSDF-RISCZKNCSA-N 1 0 269.348 2.092 10 0 CEAERO CNC(=O)[C@H](C)n1c(C)cc2c1CC(C)(C)C[C@@H]2[NH3+] ZINC000041721724 174618085 /nfs/dbraw/zinc/61/80/85/174618085.db2.gz REPYBEIROSWKSB-JQWIXIFHSA-N 1 0 263.385 2.076 10 0 CEAERO CC(C)C[NH+](CC(C)C)[C@@]1(CN)CN2CCC1CC2 ZINC000042033755 174634427 /nfs/dbraw/zinc/63/44/27/174634427.db2.gz LHHIKWOAVLKDKL-INIZCTEOSA-N 1 0 267.461 2.024 10 0 CEAERO CCC[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653097571 414906209 /nfs/dbraw/zinc/90/62/09/414906209.db2.gz QQHZVOIKIODVIB-IJLUTSLNSA-N 1 0 292.345 2.423 10 0 CEAERO COC[C@@H](C)NC(=O)C[NH2+][C@@H](c1cccs1)C(C)C ZINC000042314773 174682274 /nfs/dbraw/zinc/68/22/74/174682274.db2.gz KDZDYKZQQYOSFN-BXUZGUMPSA-N 1 0 284.425 2.186 10 0 CEAERO [NH3+]Cc1ccc(OCCn2cccn2)c(Cl)c1 ZINC000042321762 174684757 /nfs/dbraw/zinc/68/47/57/174684757.db2.gz AZSRXJFMUACJLN-UHFFFAOYSA-N 1 0 251.717 2.074 10 0 CEAERO OCCN1CCC[C@H]([NH2+]C2CCC(C3CCC3)CC2)C1 ZINC000657350085 414877378 /nfs/dbraw/zinc/87/73/78/414877378.db2.gz ABYNRILOEPASLT-JCYILVPMSA-N 1 0 280.456 2.392 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(NC(=O)NCc2cn[nH]c2)cc1 ZINC000042358337 174695669 /nfs/dbraw/zinc/69/56/69/174695669.db2.gz RIVFIQFTWQBYLD-JTQLQIEISA-N 1 0 273.340 2.012 10 0 CEAERO O=C(Nc1ccccc1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653056400 414889459 /nfs/dbraw/zinc/88/94/59/414889459.db2.gz DSXMVPYBESXLBK-NXEZZACHSA-N 1 0 258.243 2.023 10 0 CEAERO CCCc1nccnc1N1CCC([NH2+]CC2CC2)CC1 ZINC000663273009 414899693 /nfs/dbraw/zinc/89/96/93/414899693.db2.gz UTOXYYFFFJMAFO-UHFFFAOYSA-N 1 0 274.412 2.398 10 0 CEAERO COc1c(C[NH2+]C[C@@H](C)c2ccccn2)c(C)nn1C ZINC000657532881 414990650 /nfs/dbraw/zinc/99/06/50/414990650.db2.gz NGKHZSYPSPGMKI-LLVKDONJSA-N 1 0 274.368 2.025 10 0 CEAERO O=C([C@@H]1C[NH2+]C[C@H]1C(F)(F)F)N1CCC[C@H]2CCC[C@@H]21 ZINC000653447101 414997627 /nfs/dbraw/zinc/99/76/27/414997627.db2.gz KDMSMLVYXLFQSX-KKOKHZNYSA-N 1 0 290.329 2.175 10 0 CEAERO CC(C)C[C@H](C)N(C)S(=O)(=O)CCC[NH2+]C(C)C ZINC000042594147 174813198 /nfs/dbraw/zinc/81/31/98/174813198.db2.gz UIPQCJZOTGFZNI-ZDUSSCGKSA-N 1 0 278.462 2.071 10 0 CEAERO C[C@@H]1CCCC[C@H]1N(C)S(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000042609400 174822902 /nfs/dbraw/zinc/82/29/02/174822902.db2.gz XSRJBWIURVWXEN-IUODEOHRSA-N 1 0 296.436 2.345 10 0 CEAERO COCC[N@H+](CCOc1cccc(N)c1)[C@H](C)C1CC1 ZINC000042614020 174827116 /nfs/dbraw/zinc/82/71/16/174827116.db2.gz BFCAXGDAHVJOKE-CYBMUJFWSA-N 1 0 278.396 2.395 10 0 CEAERO CC[C@@H]1CCC[C@@H](C[NH2+]C[C@@H]2CC(=O)N(C)C2)C1 ZINC000657694530 415050987 /nfs/dbraw/zinc/05/09/87/415050987.db2.gz DXPHIJQBAALIKN-MCIONIFRSA-N 1 0 252.402 2.271 10 0 CEAERO CC(C)Oc1ccc(C[NH2+]C[C@H]2CC(=O)N(C)C2)cc1 ZINC000657696920 415053118 /nfs/dbraw/zinc/05/31/18/415053118.db2.gz LWQRUEGEKUXRII-CQSZACIVSA-N 1 0 276.380 2.042 10 0 CEAERO CCC[NH2+][C@@H]1CCN(C[C@@H]2CCCC[C@@H]2C)C1=O ZINC000042864345 174894397 /nfs/dbraw/zinc/89/43/97/174894397.db2.gz XRFYIIJTFAQZAV-MELADBBJSA-N 1 0 252.402 2.413 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccc(F)cc1)N1CCC(CO)CC1 ZINC000042913573 174911921 /nfs/dbraw/zinc/91/19/21/174911921.db2.gz GJNYVOOCLIYQOW-CVEARBPZSA-N 1 0 280.387 2.308 10 0 CEAERO [NH3+]C[C@H](c1ccc(F)cc1)n1nnc(-c2ccccc2)n1 ZINC000042915904 174915691 /nfs/dbraw/zinc/91/56/91/174915691.db2.gz HBZOOJSZUBZBGG-CQSZACIVSA-N 1 0 283.310 2.027 10 0 CEAERO COCCS[C@H](c1ccc(OC)cc1)[C@@H](C)[NH3+] ZINC000042964988 174928567 /nfs/dbraw/zinc/92/85/67/174928567.db2.gz XAOFQYDOQRKBIH-MFKMUULPSA-N 1 0 255.383 2.463 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1ccccc1F)N1CCOCC1(C)C ZINC000043044627 174956368 /nfs/dbraw/zinc/95/63/68/174956368.db2.gz VSSSSSUFWZFEDM-RISCZKNCSA-N 1 0 266.360 2.325 10 0 CEAERO C[C@H]([NH3+])[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000043050538 174958407 /nfs/dbraw/zinc/95/84/07/174958407.db2.gz JCOMEPWNIUFBMQ-GXFFZTMASA-N 1 0 254.761 2.061 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccccc1Cl)N(CC)CCO ZINC000043051747 174959576 /nfs/dbraw/zinc/95/95/76/174959576.db2.gz XZTJLIBYBNZGGS-KBPBESRZSA-N 1 0 270.804 2.433 10 0 CEAERO CCCN(CCO)[C@H](c1ccccc1Cl)[C@@H](C)[NH3+] ZINC000043051974 174960387 /nfs/dbraw/zinc/96/03/87/174960387.db2.gz GPYAXGQRTZTDLG-RISCZKNCSA-N 1 0 270.804 2.433 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccsc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000043115094 174974853 /nfs/dbraw/zinc/97/48/53/174974853.db2.gz PVQYVZHIGFYVTR-LSCVPOLPSA-N 1 0 254.399 2.246 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1cnn(C)c1)N(C)Cc1ccoc1C ZINC000043128838 174979947 /nfs/dbraw/zinc/97/99/47/174979947.db2.gz PDLNTBVWPBOTAA-HUUCEWRRSA-N 1 0 276.384 2.232 10 0 CEAERO COC(=O)CS[C@@H](c1ccc(C)s1)[C@H](C)[NH3+] ZINC000043246876 174991154 /nfs/dbraw/zinc/99/11/54/174991154.db2.gz XCEPSGYTVQZXMJ-GZMMTYOYSA-N 1 0 259.396 2.351 10 0 CEAERO CC[NH2+][C@H](c1c(F)cccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000043300770 175001266 /nfs/dbraw/zinc/00/12/66/175001266.db2.gz SQFOJUVEZJALAJ-RNCFNFMXSA-N 1 0 289.347 2.050 10 0 CEAERO CC[NH2+][C@@H](c1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 ZINC000043300783 175001553 /nfs/dbraw/zinc/00/15/53/175001553.db2.gz MMEXQZYNTJQSIT-SWLSCSKDSA-N 1 0 297.420 2.171 10 0 CEAERO CC[NH2+][C@H](c1ccc(C)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043301042 175001895 /nfs/dbraw/zinc/00/18/95/175001895.db2.gz LLBKZBYUAXVOAB-HUUCEWRRSA-N 1 0 281.421 2.389 10 0 CEAERO CCC[NH2+][C@H](C(CC)CC)[C@@H]1CCS(=O)(=O)C1 ZINC000043301310 175001923 /nfs/dbraw/zinc/00/19/23/175001923.db2.gz LVLBDOVAZGOIHK-CHWSQXEVSA-N 1 0 261.431 2.226 10 0 CEAERO CCC[NH2+][C@H](c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043301397 175002067 /nfs/dbraw/zinc/00/20/67/175002067.db2.gz IDIHXFJSUGHKSF-DZGCQCFKSA-N 1 0 297.420 2.171 10 0 CEAERO CCC[NH2+][C@@H](C(CC)CC)[C@@H]1CCS(=O)(=O)C1 ZINC000043301312 175002139 /nfs/dbraw/zinc/00/21/39/175002139.db2.gz LVLBDOVAZGOIHK-OLZOCXBDSA-N 1 0 261.431 2.226 10 0 CEAERO CC[C@H]1CN([C@@H](C[NH3+])c2cccc(C)c2C)CCO1 ZINC000043314645 175004794 /nfs/dbraw/zinc/00/47/94/175004794.db2.gz BZBVMZICURKKJD-HOCLYGCPSA-N 1 0 262.397 2.414 10 0 CEAERO C[C@@H](Cc1c(F)cccc1F)N[C@@H]1CCC[NH2+]C1 ZINC000043327203 175008785 /nfs/dbraw/zinc/00/87/85/175008785.db2.gz CSMRMIXTJYFMRS-WDEREUQCSA-N 1 0 254.324 2.237 10 0 CEAERO C[C@H](Cc1c(F)cccc1F)N[C@@H]1CCC[NH2+]C1 ZINC000043327204 175008931 /nfs/dbraw/zinc/00/89/31/175008931.db2.gz CSMRMIXTJYFMRS-GHMZBOCLSA-N 1 0 254.324 2.237 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccco1)N(C)[C@@H]1CCSC1 ZINC000043334781 175010766 /nfs/dbraw/zinc/01/07/66/175010766.db2.gz SHEZONRLMGZJEB-NQBHXWOUSA-N 1 0 254.399 2.495 10 0 CEAERO Cc1cc(=O)[nH]c(S[C@H](c2ccco2)[C@@H](C)[NH3+])n1 ZINC000043338274 175012431 /nfs/dbraw/zinc/01/24/31/175012431.db2.gz GISBVTBKTNEMFJ-KCJUWKMLSA-N 1 0 265.338 2.264 10 0 CEAERO CC(=O)Nc1ccccc1O[C@@H](C[NH3+])c1ccco1 ZINC000043337047 175012478 /nfs/dbraw/zinc/01/24/78/175012478.db2.gz ZAWFVWDFRHNBAO-AWEZNQCLSA-N 1 0 260.293 2.317 10 0 CEAERO CCN(Cc1ccncc1)[C@H](c1ccccn1)[C@@H](C)[NH3+] ZINC000043340262 175014113 /nfs/dbraw/zinc/01/41/13/175014113.db2.gz JUKXMPLACZMJKN-CJNGLKHVSA-N 1 0 270.380 2.387 10 0 CEAERO COCCN(CC(C)C)[C@H](c1ccccn1)[C@@H](C)[NH3+] ZINC000043340421 175014429 /nfs/dbraw/zinc/01/44/29/175014429.db2.gz WBYFERQMGQXTCJ-HIFRSBDPSA-N 1 0 265.401 2.074 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccccn1)N(C)Cc1cscn1 ZINC000043341218 175015153 /nfs/dbraw/zinc/01/51/53/175015153.db2.gz BZCCYLGTQDOLAA-ZWNOBZJWSA-N 1 0 262.382 2.058 10 0 CEAERO C[C@H]([NH3+])[C@@H](OCc1ccc2c(c1)OCO2)c1ccccn1 ZINC000043342830 175015856 /nfs/dbraw/zinc/01/58/56/175015856.db2.gz IWHFQDIYIQJRKW-MEDUHNTESA-N 1 0 286.331 2.415 10 0 CEAERO CN(C)c1cccc(O[C@H](C[NH3+])c2ccccn2)c1 ZINC000043344005 175016234 /nfs/dbraw/zinc/01/62/34/175016234.db2.gz ZGFXFXNJXWCLIP-OAHLLOKOSA-N 1 0 257.337 2.226 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccncc1)N(C)Cc1cc(C)on1 ZINC000043353753 175020978 /nfs/dbraw/zinc/02/09/78/175020978.db2.gz WYVGCPPLVCXKJX-LSDHHAIUSA-N 1 0 274.368 2.288 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccncc1)N(CC)[C@@H](C)COC ZINC000043354805 175022050 /nfs/dbraw/zinc/02/20/50/175022050.db2.gz XJNBPESUQILRFF-QEJZJMRPSA-N 1 0 265.401 2.217 10 0 CEAERO CC(C)N(CC(F)(F)F)[C@@H](C[NH3+])c1ccncc1 ZINC000043354839 175022172 /nfs/dbraw/zinc/02/21/72/175022172.db2.gz WKHWZESJFJSSHY-NSHDSACASA-N 1 0 261.291 2.354 10 0 CEAERO C[C@@H]([NH3+])[C@H](OCc1ccc2c(c1)OCO2)c1ccncc1 ZINC000043355674 175023069 /nfs/dbraw/zinc/02/30/69/175023069.db2.gz NYYSRODVXULFSH-BZNIZROVSA-N 1 0 286.331 2.415 10 0 CEAERO CC[C@H]([NH3+])[C@@H](OC1CCOCC1)c1ccncc1 ZINC000043356328 175023388 /nfs/dbraw/zinc/02/33/88/175023388.db2.gz YEUZVVVZBCTYBE-KBPBESRZSA-N 1 0 250.342 2.056 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Oc1ccc(C(N)=O)cc1)c1ccncc1 ZINC000043355890 175023678 /nfs/dbraw/zinc/02/36/78/175023678.db2.gz ZZSDRMJEMOWSKB-HUUCEWRRSA-N 1 0 285.347 2.038 10 0 CEAERO CC[C@H]([NH3+])[C@H](SCCC(=O)OC)c1ccncc1 ZINC000043363462 175024131 /nfs/dbraw/zinc/02/41/31/175024131.db2.gz ZKINQRSCGBXOJG-WCQYABFASA-N 1 0 268.382 2.156 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000043363675 175024248 /nfs/dbraw/zinc/02/42/48/175024248.db2.gz FSWILXGDAGYVNP-COMQUAJESA-N 1 0 266.385 2.476 10 0 CEAERO Cc1ccc([C@H]([C@H](C)[NH3+])N(C)C2CCOCC2)o1 ZINC000043364461 175025876 /nfs/dbraw/zinc/02/58/76/175025876.db2.gz SLINXOBSBBQRAV-FZMZJTMJSA-N 1 0 252.358 2.087 10 0 CEAERO Cc1ccc([C@H](Oc2ccc(C(N)=O)cc2)[C@H](C)[NH3+])o1 ZINC000043366659 175027227 /nfs/dbraw/zinc/02/72/27/175027227.db2.gz XPOUIQCAKSXZFF-IINYFYTJSA-N 1 0 274.320 2.154 10 0 CEAERO Cc1ccc([C@H](Sc2nnnn2C2CC2)[C@@H](C)[NH3+])o1 ZINC000043367339 175027749 /nfs/dbraw/zinc/02/77/49/175027749.db2.gz BVTALUAVRQMKGM-LDYMZIIASA-N 1 0 279.369 2.090 10 0 CEAERO C[C@@H]([NH3+])[C@@H](N(CC(F)(F)F)C1CC1)C(F)(F)F ZINC000043379270 175031022 /nfs/dbraw/zinc/03/10/22/175031022.db2.gz NMWIHAKEVGLNTR-IYSWYEEDSA-N 1 0 264.213 2.291 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Oc1ccc(CO)cc1)C(F)(F)F ZINC000043385347 175031786 /nfs/dbraw/zinc/03/17/86/175031786.db2.gz DTUHQTBWKKDBEP-MNOVXSKESA-N 1 0 263.259 2.226 10 0 CEAERO CO[C@H]1C[NH2+][C@H](c2nc(-c3cc(F)cc(F)c3)no2)C1 ZINC000043387539 175033202 /nfs/dbraw/zinc/03/32/02/175033202.db2.gz PUULPVMVDNBZDT-MNOVXSKESA-N 1 0 281.262 2.064 10 0 CEAERO C[C@@H]1COCCN1[C@@H](C[NH3+])c1ccc(Cl)c(F)c1 ZINC000043390308 175033492 /nfs/dbraw/zinc/03/34/92/175033492.db2.gz SVSZYEKYGVFXAT-RNCFNFMXSA-N 1 0 272.751 2.200 10 0 CEAERO Cn1cc([C@H]([NH3+])Cc2cccc(Br)c2)cn1 ZINC000043462223 175052017 /nfs/dbraw/zinc/05/20/17/175052017.db2.gz TWQITJRCMXLGAO-GFCCVEGCSA-N 1 0 280.169 2.425 10 0 CEAERO CC(C)[NH2+]Cc1ccc(OCCC(N)=O)c(Cl)c1 ZINC000043479728 175055966 /nfs/dbraw/zinc/05/59/66/175055966.db2.gz WWFYXQJZLVIMDT-UHFFFAOYSA-N 1 0 270.760 2.092 10 0 CEAERO Cc1ccccc1Cc1noc([C@H]2CCC[NH2+]C2)n1 ZINC000043560193 175066463 /nfs/dbraw/zinc/06/64/63/175066463.db2.gz DLKCGJLPQYBKRT-ZDUSSCGKSA-N 1 0 257.337 2.436 10 0 CEAERO C[NH2+][C@@H](CN1CCCCC1)c1ccc(OC)c(OC)c1 ZINC000043814060 175111923 /nfs/dbraw/zinc/11/19/23/175111923.db2.gz SZGNKSVHMMRCFO-AWEZNQCLSA-N 1 0 278.396 2.450 10 0 CEAERO CCCCN(CC)[C@@H]1CC2(CC[C@@H]1[NH2+]CC)OCCO2 ZINC000043817636 175113483 /nfs/dbraw/zinc/11/34/83/175113483.db2.gz UELQGOILRWAPHK-LSDHHAIUSA-N 1 0 284.444 2.382 10 0 CEAERO CCN(C[C@@H]([NH2+]C)c1ccc2c(c1)OCCO2)C1CC1 ZINC000043821378 175114329 /nfs/dbraw/zinc/11/43/29/175114329.db2.gz FRVVYAQHMBJCNM-CQSZACIVSA-N 1 0 276.380 2.203 10 0 CEAERO CC[NH2+][C@H]1CCC2(C[C@H]1N(CC)[C@@H](C)CC)OCCO2 ZINC000043888844 175117412 /nfs/dbraw/zinc/11/74/12/175117412.db2.gz NZQMZMPOBHYVSF-SOUVJXGZSA-N 1 0 284.444 2.381 10 0 CEAERO CCC[NH2+][C@@H]1CCC2(C[C@@H]1N(C)CC(C)C)OCCO2 ZINC000043887108 175117744 /nfs/dbraw/zinc/11/77/44/175117744.db2.gz PSUREDJIZWGWBO-CABCVRRESA-N 1 0 284.444 2.238 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2C[C@@H]1N1CCC(OC)CC1 ZINC000043890215 175118095 /nfs/dbraw/zinc/11/80/95/175118095.db2.gz GPXRTFIERXWJGV-IRXDYDNUSA-N 1 0 274.408 2.373 10 0 CEAERO CC[C@H]([C@H]([NH2+]C)c1ccccc1)N1CCOC[C@@H]1C ZINC000043891239 175118190 /nfs/dbraw/zinc/11/81/90/175118190.db2.gz QJEXSBSTSQLROR-NUEKZKHPSA-N 1 0 262.397 2.446 10 0 CEAERO CCc1ccc([C@@H](CN2CCOC[C@@H]2C)[NH2+]C)cc1 ZINC000043891219 175118214 /nfs/dbraw/zinc/11/82/14/175118214.db2.gz YRMGULCTDFBVHF-XJKSGUPXSA-N 1 0 262.397 2.230 10 0 CEAERO CC[NH2+][C@@H](CN1CCO[C@@H](CC)C1)c1ccc(OC)cc1 ZINC000043893074 175118853 /nfs/dbraw/zinc/11/88/53/175118853.db2.gz KFDQLWBXVARCFU-RDJZCZTQSA-N 1 0 292.423 2.457 10 0 CEAERO CC[NH2+][C@H]1CCC2(C[C@H]1N(C)[C@@H](C)C(C)C)OCCO2 ZINC000043895596 175119224 /nfs/dbraw/zinc/11/92/24/175119224.db2.gz GZEKPLFGVMRXFH-SOUVJXGZSA-N 1 0 284.444 2.236 10 0 CEAERO CC[NH2+][C@@H]1CCCCC[C@H]1N1CCOC(C)(C)C1 ZINC000043897818 175120500 /nfs/dbraw/zinc/12/05/00/175120500.db2.gz XMYCCVFHEJTVOC-ZIAGYGMSSA-N 1 0 254.418 2.408 10 0 CEAERO C[NH2+][C@H](c1ccccc1)[C@H](C)N(C)C1CCOCC1 ZINC000043898110 175121058 /nfs/dbraw/zinc/12/10/58/175121058.db2.gz JMIFSMFZZDYMTH-BBRMVZONSA-N 1 0 262.397 2.446 10 0 CEAERO CCOC1CCN([C@H]2C[C@@H](C)CC[C@@H]2[NH2+]C)CC1 ZINC000043906898 175122686 /nfs/dbraw/zinc/12/26/86/175122686.db2.gz ZZZWKXNVKUFMMP-QEJZJMRPSA-N 1 0 254.418 2.264 10 0 CEAERO C[NH2+][C@H](c1ccc(C)cc1)[C@H](C)N(CCOC)CCOC ZINC000043912549 175123547 /nfs/dbraw/zinc/12/35/47/175123547.db2.gz KWOFENKGVJNCRT-RDJZCZTQSA-N 1 0 294.439 2.239 10 0 CEAERO CCC[NH2+][C@H]1CCOC[C@H]1N1CCC(CC)CC1 ZINC000043913623 175124105 /nfs/dbraw/zinc/12/41/05/175124105.db2.gz SLFIPWPWKMDSGX-LSDHHAIUSA-N 1 0 254.418 2.266 10 0 CEAERO CC[NH2+][C@@H](c1ccccc1)[C@H](C)N(CCOC)CCOC ZINC000043912697 175124685 /nfs/dbraw/zinc/12/46/85/175124685.db2.gz MABAKVLGPFUXFP-DOTOQJQBSA-N 1 0 294.439 2.321 10 0 CEAERO CCC[NH2+][C@@H](CN(C)CCOC)c1ccc2c(c1)OCO2 ZINC000043916328 175125239 /nfs/dbraw/zinc/12/52/39/175125239.db2.gz NFFCJDBHGRNDRK-AWEZNQCLSA-N 1 0 294.395 2.034 10 0 CEAERO CCN(C[C@H]([NH2+]C)c1ccccc1OC)C[C@@H]1CCCO1 ZINC000043966769 175127871 /nfs/dbraw/zinc/12/78/71/175127871.db2.gz BPCKXGXYMNKAJO-HOCLYGCPSA-N 1 0 292.423 2.457 10 0 CEAERO C[NH2+][C@@H]1CCCCCC[C@@H]1N(CCCOC)CCOC ZINC000043970875 175132095 /nfs/dbraw/zinc/13/20/95/175132095.db2.gz VHBUWDMTJVWJHX-CVEARBPZSA-N 1 0 286.460 2.282 10 0 CEAERO CCO[C@H]1CCCN([C@@H]2CCCCC[C@@H]2[NH2+]C)C1 ZINC000043971361 175132968 /nfs/dbraw/zinc/13/29/68/175132968.db2.gz PBPSBPBPTYPUDE-SOUVJXGZSA-N 1 0 254.418 2.408 10 0 CEAERO CCc1ccc([C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000044117064 175141996 /nfs/dbraw/zinc/14/19/96/175141996.db2.gz ICTKJDSFHKKREU-DVOMOZLQSA-N 1 0 263.381 2.392 10 0 CEAERO CC(C)(C)N1CC[C@@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)C1 ZINC000658089911 415202593 /nfs/dbraw/zinc/20/25/93/415202593.db2.gz CBWSLZIUAOIXGW-AAVRWANBSA-N 1 0 266.429 2.262 10 0 CEAERO CC(C)(C)N1CC[C@@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 ZINC000658089912 415202801 /nfs/dbraw/zinc/20/28/01/415202801.db2.gz CBWSLZIUAOIXGW-RQJABVFESA-N 1 0 266.429 2.262 10 0 CEAERO C[NH2+][C@@H]1CCCc2cc(OCC(=O)NCC(C)C)ccc21 ZINC000044745368 175241976 /nfs/dbraw/zinc/24/19/76/175241976.db2.gz TXISROUMHWWCTC-MRXNPFEDSA-N 1 0 290.407 2.434 10 0 CEAERO CC[NH2+][C@H]1CCCc2cc(O[C@@H](C)C(=O)NC)ccc21 ZINC000044745592 175241985 /nfs/dbraw/zinc/24/19/85/175241985.db2.gz FLYFCJCNIYUXQT-NHYWBVRUSA-N 1 0 276.380 2.187 10 0 CEAERO Oc1ccc2c(c1)CCC[C@H]2[NH2+]CCCN1CCOCC1 ZINC000044746895 175242667 /nfs/dbraw/zinc/24/26/67/175242667.db2.gz VTOFUDMQMHKKPG-QGZVFWFLSA-N 1 0 290.407 2.082 10 0 CEAERO [NH3+]CC1(C(=O)NCCc2ccccc2)CCCCC1 ZINC000044753064 175245621 /nfs/dbraw/zinc/24/56/21/175245621.db2.gz PFXONMHBSYGAPD-UHFFFAOYSA-N 1 0 260.381 2.255 10 0 CEAERO CN(CCc1ccccn1)C(=O)C1(C[NH3+])CCCCCC1 ZINC000044762293 175246436 /nfs/dbraw/zinc/24/64/36/175246436.db2.gz HZASCCPLRBFLBV-UHFFFAOYSA-N 1 0 289.423 2.382 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000044798097 175255104 /nfs/dbraw/zinc/25/51/04/175255104.db2.gz WDBGSWKRIMFCPU-LLVKDONJSA-N 1 0 278.352 2.161 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)N1C[C@@H](C)OC[C@H]1C ZINC000044801509 175255644 /nfs/dbraw/zinc/25/56/44/175255644.db2.gz UZRRKSHJKZEBNN-CHWSQXEVSA-N 1 0 270.417 2.168 10 0 CEAERO CC(C)[C@@H](C[NH3+])C(=O)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000044802490 175256019 /nfs/dbraw/zinc/25/60/19/175256019.db2.gz RYRAHGWTDUXSNB-BFHYXJOUSA-N 1 0 252.402 2.256 10 0 CEAERO CCC1CCN(C(=O)[C@H](C[NH3+])Cc2ccccc2)CC1 ZINC000044804246 175256095 /nfs/dbraw/zinc/25/60/95/175256095.db2.gz AOTXJYNHPIKYBV-INIZCTEOSA-N 1 0 274.408 2.453 10 0 CEAERO CNC(=O)CC[NH2+][C@H](c1ccccc1)c1ccc(O)cc1 ZINC000044988276 175285260 /nfs/dbraw/zinc/28/52/60/175285260.db2.gz JGUXOUJOYBSMOR-QGZVFWFLSA-N 1 0 284.359 2.207 10 0 CEAERO C[C@H](C[NH2+]CCCOCC(F)(F)F)N1CCCCC1 ZINC000044992903 175286510 /nfs/dbraw/zinc/28/65/10/175286510.db2.gz KRLBKOFCINKVRQ-GFCCVEGCSA-N 1 0 282.350 2.419 10 0 CEAERO Cc1noc(Cn2c(N)[nH+]c3cccc(Cl)c32)n1 ZINC000045005503 175288325 /nfs/dbraw/zinc/28/83/25/175288325.db2.gz XTKOMGPOZMLDDU-UHFFFAOYSA-N 1 0 263.688 2.012 10 0 CEAERO CC1(NS(=O)(=O)Cc2cccc(C[NH3+])c2)CCCCC1 ZINC000045046335 175296292 /nfs/dbraw/zinc/29/62/92/175296292.db2.gz ILCRFDGSEKGCNW-UHFFFAOYSA-N 1 0 296.436 2.288 10 0 CEAERO C[C@H]([NH3+])[C@H](c1cnn(C)c1)n1ccnc1-c1cccs1 ZINC000045047761 175297376 /nfs/dbraw/zinc/29/73/76/175297376.db2.gz BZEKPOSUICCTSI-GXFFZTMASA-N 1 0 287.392 2.282 10 0 CEAERO CC1(C)CC[C@H]([NH2+]CCCS(N)(=O)=O)c2ccccc21 ZINC000045064885 175299545 /nfs/dbraw/zinc/29/95/45/175299545.db2.gz LRFPMRWZGDRRFN-AWEZNQCLSA-N 1 0 296.436 2.067 10 0 CEAERO Cc1ccc(NC(=O)C[N@@H+](C)CC(C)(C)C)cc1N ZINC000045065144 175299630 /nfs/dbraw/zinc/29/96/30/175299630.db2.gz ZPQJLEWFSCUAMA-UHFFFAOYSA-N 1 0 263.385 2.494 10 0 CEAERO CCCCc1ccc([C@H](C)[NH2+]CCCS(N)(=O)=O)cc1 ZINC000045067556 175299981 /nfs/dbraw/zinc/29/99/81/175299981.db2.gz FDJQWCGFRWOTCI-ZDUSSCGKSA-N 1 0 298.452 2.358 10 0 CEAERO Nc1ccc(=O)n(CCC[N@@H+]2CCC[C@H]2C2CCCC2)c1 ZINC000045066879 175300324 /nfs/dbraw/zinc/30/03/24/175300324.db2.gz HFVLEPCBYQEXPS-INIZCTEOSA-N 1 0 289.423 2.475 10 0 CEAERO CCCNC(=O)CCn1c(N)[nH+]c2cccc(Cl)c21 ZINC000045086382 175303792 /nfs/dbraw/zinc/30/37/92/175303792.db2.gz WZQKYOJWRQRRMN-UHFFFAOYSA-N 1 0 280.759 2.188 10 0 CEAERO CC(C)[N@@H+]1CC[C@@H](CNc2cc(Cl)ncn2)C1 ZINC000045140382 175315552 /nfs/dbraw/zinc/31/55/52/175315552.db2.gz OHMUCBSVQUKDPS-JTQLQIEISA-N 1 0 254.765 2.272 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]CCCOCCOC)c1C ZINC000045168779 175319883 /nfs/dbraw/zinc/31/98/83/175319883.db2.gz GWWLSTYBSKIJDU-GFCCVEGCSA-N 1 0 283.416 2.224 10 0 CEAERO COc1ccc(C[NH2+][C@@H](C)c2c(C)nn(C)c2C)cn1 ZINC000045168706 175319921 /nfs/dbraw/zinc/31/99/21/175319921.db2.gz VTMJFMSRFXHGLG-JTQLQIEISA-N 1 0 274.368 2.291 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]C2CCC(C(N)=O)CC2)c1C ZINC000045171196 175321088 /nfs/dbraw/zinc/32/10/88/175321088.db2.gz OZBXMVWBCQWMQF-GWMXKSKGSA-N 1 0 292.427 2.215 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]CCCC(=O)OC)c1C ZINC000045171345 175321185 /nfs/dbraw/zinc/32/11/85/175321185.db2.gz CSJYOIZSXYXSCY-JTQLQIEISA-N 1 0 267.373 2.124 10 0 CEAERO Cc1nn(C)c(C)c1[C@H](C)NC[C@H]1CCC[N@H+](C)C1 ZINC000045172735 175321920 /nfs/dbraw/zinc/32/19/20/175321920.db2.gz PYMBWAJMJHEGDQ-SMDDNHRTSA-N 1 0 264.417 2.029 10 0 CEAERO COc1ncc(C[NH2+]CCC2CCOCC2)s1 ZINC000045205435 175327601 /nfs/dbraw/zinc/32/76/01/175327601.db2.gz PRQQMPJADKXOPV-UHFFFAOYSA-N 1 0 256.371 2.058 10 0 CEAERO CCCC[N@H+](C)CC[C@@](C)(NC(C)C)C(=O)OC ZINC000045222227 175330607 /nfs/dbraw/zinc/33/06/07/175330607.db2.gz AGQRQAXCZWZMQO-CQSZACIVSA-N 1 0 258.406 2.038 10 0 CEAERO CCCC[N@H+](C)C[C@](NCCC)(C(N)=O)c1ccccc1 ZINC000045221939 175330904 /nfs/dbraw/zinc/33/09/04/175330904.db2.gz JMVIMTMIRQGRIN-QGZVFWFLSA-N 1 0 291.439 2.099 10 0 CEAERO CCOC(=O)[C@@](C)(C[NH+]1CCC(C)CC1)NC(C)C ZINC000045225448 175333134 /nfs/dbraw/zinc/33/31/34/175333134.db2.gz VYUNFOCNROQLMQ-OAHLLOKOSA-N 1 0 270.417 2.038 10 0 CEAERO CCOC(=O)[C@@](C)(C[N@H+](C)C1CCCCC1)NC1CC1 ZINC000045231199 175334601 /nfs/dbraw/zinc/33/46/01/175334601.db2.gz LTYVPMUODYQIGF-MRXNPFEDSA-N 1 0 282.428 2.325 10 0 CEAERO CCOC(=O)[C@](C)(CC[N@H+](C)C1CCCCC1)NC ZINC000045231270 175335008 /nfs/dbraw/zinc/33/50/08/175335008.db2.gz XRQVLMCTLNINIQ-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO COC(=O)[C@](N)(C[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000045231063 175335045 /nfs/dbraw/zinc/33/50/45/175335045.db2.gz DZHJPYIMYLXTQK-KRWDZBQOSA-N 1 0 290.407 2.278 10 0 CEAERO CCCC[NH+](CCCC)C[C@@](C)(NC)C(=O)OC ZINC000045232694 175336090 /nfs/dbraw/zinc/33/60/90/175336090.db2.gz FWAUZQMLHDLXGZ-CQSZACIVSA-N 1 0 258.406 2.040 10 0 CEAERO CCOC(=O)[C@](C)(CC[N@H+](CC)CC(C)C)NC1CC1 ZINC000045264245 175337628 /nfs/dbraw/zinc/33/76/28/175337628.db2.gz UFCWKAPVXTXZMI-INIZCTEOSA-N 1 0 284.444 2.428 10 0 CEAERO CCOC(=O)[C@@](C[N@H+](C)CC(C)C)(NC)c1ccccc1 ZINC000045263457 175337852 /nfs/dbraw/zinc/33/78/52/175337852.db2.gz XOAPXGPNLUKGFX-KRWDZBQOSA-N 1 0 292.423 2.252 10 0 CEAERO CCC[N@H+](C)C[C@](NC)(C(=O)OCC)c1ccccc1 ZINC000045264307 175338416 /nfs/dbraw/zinc/33/84/16/175338416.db2.gz IFDOBLVNXPFADK-MRXNPFEDSA-N 1 0 278.396 2.006 10 0 CEAERO COC(=O)[C@](C[N@H+](C)C1CC1)(NC(C)C)c1ccccc1 ZINC000045265038 175338682 /nfs/dbraw/zinc/33/86/82/175338682.db2.gz KFJXUMQWWJTMHT-QGZVFWFLSA-N 1 0 290.407 2.147 10 0 CEAERO CCC[N@H+](CC[C@](C)(NCC)C(=O)OCC)C(C)C ZINC000045266928 175338959 /nfs/dbraw/zinc/33/89/59/175338959.db2.gz OMNGELDHRYXTSL-HNNXBMFYSA-N 1 0 272.433 2.428 10 0 CEAERO CCC[N@H+](C[C@](C)(NC(C)C)C(=O)OC)C(C)C ZINC000045266820 175339155 /nfs/dbraw/zinc/33/91/55/175339155.db2.gz BZMUPJNYHRHBIT-AWEZNQCLSA-N 1 0 258.406 2.037 10 0 CEAERO CCOC(=O)[C@](N)(C[N@H+](C)C1CCCC1)c1ccccc1 ZINC000045266062 175339329 /nfs/dbraw/zinc/33/93/29/175339329.db2.gz IGOMGOJRKPPYTG-KRWDZBQOSA-N 1 0 290.407 2.278 10 0 CEAERO CCCN[C@@](C)(CC[N@H+](CC)CCC)C(=O)OCC ZINC000045267703 175340299 /nfs/dbraw/zinc/34/02/99/175340299.db2.gz SKNPJQBDUVCOBI-HNNXBMFYSA-N 1 0 272.433 2.430 10 0 CEAERO CCC(CC)C[N@H+](CC)CC[C@](C)(NC)C(=O)OC ZINC000045277836 175348412 /nfs/dbraw/zinc/34/84/12/175348412.db2.gz UVJMDPNBZZQGGA-HNNXBMFYSA-N 1 0 272.433 2.286 10 0 CEAERO CCC(CC)C[N@H+](CC)CC[C@@](C)(N)C(=O)OC ZINC000045277829 175348604 /nfs/dbraw/zinc/34/86/04/175348604.db2.gz AJJATFXMCFIMBB-CQSZACIVSA-N 1 0 258.406 2.025 10 0 CEAERO CCOC(=O)[C@](C)(C[N@H+](C)CC(C)(C)C)NC(C)C ZINC000045279348 175349533 /nfs/dbraw/zinc/34/95/33/175349533.db2.gz RMDFBNRTRHQUBN-HNNXBMFYSA-N 1 0 272.433 2.284 10 0 CEAERO CCN[C@@](C)(CC[N@H+](CC1CC1)C(C)C)C(=O)OC ZINC000045281038 175351039 /nfs/dbraw/zinc/35/10/39/175351039.db2.gz ADVWXPHEPGVUFA-HNNXBMFYSA-N 1 0 270.417 2.038 10 0 CEAERO CCOC(=O)[C@@](C)(C[NH+]1CCC(CC)CC1)NC(C)C ZINC000045281398 175352278 /nfs/dbraw/zinc/35/22/78/175352278.db2.gz FBPOZWBFYPTOKY-MRXNPFEDSA-N 1 0 284.444 2.428 10 0 CEAERO CCOC(=O)[C@](C)(N)CCC[NH+]1CCCCCCC1 ZINC000045371538 175364248 /nfs/dbraw/zinc/36/42/48/175364248.db2.gz ABMHQPCHYLLDOT-OAHLLOKOSA-N 1 0 270.417 2.313 10 0 CEAERO CC(C)[NH2+][C@@](C)(CCCN(C)c1ccccc1)C(N)=O ZINC000045376645 175367170 /nfs/dbraw/zinc/36/71/70/175367170.db2.gz KXRJBWUTRBNVNY-INIZCTEOSA-N 1 0 277.412 2.145 10 0 CEAERO CCCN[C@@](C)(CCC[N@H+](C)C(C)C)C(=O)OC ZINC000045378075 175367730 /nfs/dbraw/zinc/36/77/30/175367730.db2.gz IQFYCCLFTWKAKZ-AWEZNQCLSA-N 1 0 258.406 2.038 10 0 CEAERO CCN[C@](C)(CCCC[N@H+](C)C(C)C)C(=O)OCC ZINC000045377979 175367812 /nfs/dbraw/zinc/36/78/12/175367812.db2.gz MSUZESXAGOIINJ-OAHLLOKOSA-N 1 0 272.433 2.428 10 0 CEAERO CCC[N@H+](C)CCC[C@](C)(NC(C)C)C(=O)OCC ZINC000045382396 175371511 /nfs/dbraw/zinc/37/15/11/175371511.db2.gz LPYXHVNHDBROLN-HNNXBMFYSA-N 1 0 272.433 2.428 10 0 CEAERO CCC(CC)[N@H+](C)CCC[C@@](C)(NC)C(=O)OC ZINC000045391578 175374908 /nfs/dbraw/zinc/37/49/08/175374908.db2.gz RRWSXNZSSQGSFE-CQSZACIVSA-N 1 0 258.406 2.038 10 0 CEAERO CC[NH2+][C@@](C)(CCCC[N@H+](C)[C@@H](C)C1CC1)C(=O)[O-] ZINC000045392788 175375874 /nfs/dbraw/zinc/37/58/74/175375874.db2.gz APPQPYHYSKOIMV-WFASDCNBSA-N 1 0 270.417 2.340 10 0 CEAERO CCN[C@H](C[N@H+](C)C1CCCCCC1)C(=O)OCC ZINC000045419079 175377213 /nfs/dbraw/zinc/37/72/13/175377213.db2.gz NFHLDEQUBYHTME-CQSZACIVSA-N 1 0 270.417 2.182 10 0 CEAERO C[NH2+][C@@](C)(CCC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)[O-] ZINC000045419328 175378133 /nfs/dbraw/zinc/37/81/33/175378133.db2.gz STJBXKNRNAVAFL-LZWOXQAQSA-N 1 0 282.428 2.341 10 0 CEAERO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CC(=O)N(C)C2)cc1 ZINC000658243810 415277627 /nfs/dbraw/zinc/27/76/27/415277627.db2.gz HCYPNPYJXNCMJK-CHWSQXEVSA-N 1 0 276.380 2.214 10 0 CEAERO CN1C[C@H](C[NH2+][C@@H]2CCCc3ccccc32)CC1=O ZINC000658245826 415280624 /nfs/dbraw/zinc/28/06/24/415280624.db2.gz WBMCYCHKFREQIF-SWLSCSKDSA-N 1 0 258.365 2.132 10 0 CEAERO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1ccc(F)c(F)c1 ZINC000658246330 415280785 /nfs/dbraw/zinc/28/07/85/415280785.db2.gz YKEQHGYEEQIBIN-ZJUUUORDSA-N 1 0 268.307 2.094 10 0 CEAERO Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(C)C2)c1 ZINC000658246136 415281087 /nfs/dbraw/zinc/28/10/87/415281087.db2.gz XYVOYQGHUHOPSA-KGLIPLIRSA-N 1 0 260.381 2.432 10 0 CEAERO CC[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1ccc(F)cc1 ZINC000658244963 415281627 /nfs/dbraw/zinc/28/16/27/415281627.db2.gz OJIVEZVXEJDBIU-RISCZKNCSA-N 1 0 264.344 2.345 10 0 CEAERO CCC[NH2+]CC(C)(C)Oc1cccc(S(C)(=O)=O)c1 ZINC000051958092 175528577 /nfs/dbraw/zinc/52/85/77/175528577.db2.gz MUOPCYQENQPPCB-UHFFFAOYSA-N 1 0 285.409 2.247 10 0 CEAERO Cc1[nH]c2ccccc2c1C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655517142 415323014 /nfs/dbraw/zinc/32/30/14/415323014.db2.gz AMFPAPXATPNEJY-JTQLQIEISA-N 1 0 285.269 2.096 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]C2CC(CO)C2)C12CCCCC2 ZINC000658355155 415336690 /nfs/dbraw/zinc/33/66/90/415336690.db2.gz GQGHKGAPHSABRY-PFSRBDOWSA-N 1 0 267.413 2.475 10 0 CEAERO O=C([C@H]1CC[NH2+]C1)N1CC[C@@H](C2CCCCC2)C1 ZINC000659358057 415538626 /nfs/dbraw/zinc/53/86/26/415538626.db2.gz OKDUIWCGKDPMMI-UONOGXRCSA-N 1 0 250.386 2.025 10 0 CEAERO CC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000659385731 415555518 /nfs/dbraw/zinc/55/55/18/415555518.db2.gz ZDGYJJALAHNIOR-NNIHONCDSA-N 1 0 250.386 2.293 10 0 CEAERO C[C@@H]1C[C@@](C[NH3+])(N(C)c2ccccc2F)CCO1 ZINC000070365668 175895351 /nfs/dbraw/zinc/89/53/51/175895351.db2.gz JXBKARRLYZPLEN-RISCZKNCSA-N 1 0 252.333 2.158 10 0 CEAERO CC[NH2+]Cc1cc(CN2C[C@H](C)S[C@@H](C)C2)on1 ZINC000070386223 175904763 /nfs/dbraw/zinc/90/47/63/175904763.db2.gz TTWDLJNQHQAHSJ-QWRGUYRKSA-N 1 0 269.414 2.110 10 0 CEAERO COc1ccccc1N(CCC[NH3+])c1nncs1 ZINC000070426320 175922350 /nfs/dbraw/zinc/92/23/50/175922350.db2.gz BRWFHBFLKLUCNN-UHFFFAOYSA-N 1 0 264.354 2.034 10 0 CEAERO CCc1nc(NC2CC[NH2+]CC2)cc(-c2ccncc2)n1 ZINC000070451787 175939997 /nfs/dbraw/zinc/93/99/97/175939997.db2.gz WZASAKYWOLFEHV-UHFFFAOYSA-N 1 0 283.379 2.265 10 0 CEAERO CC(C)c1cc(N[C@@H]2CCC[NH2+]C2)nc(-c2cnccn2)n1 ZINC000070456539 175940759 /nfs/dbraw/zinc/94/07/59/175940759.db2.gz MKFVVVHPHQSSFO-GFCCVEGCSA-N 1 0 298.394 2.221 10 0 CEAERO CCOc1cccc(C[C@@H](C)[NH3+])c1OCCOCCOC ZINC000070482693 175953602 /nfs/dbraw/zinc/95/36/02/175953602.db2.gz YADMQVKFNVEZBZ-CYBMUJFWSA-N 1 0 297.395 2.017 10 0 CEAERO C[C@@]1(c2ccc(Br)cc2)C[C@]1(C[NH3+])CO ZINC000070500804 175958510 /nfs/dbraw/zinc/95/85/10/175958510.db2.gz QJNZMFDLROEWFL-RYUDHWBXSA-N 1 0 270.170 2.048 10 0 CEAERO CCC[NH2+][C@](CO)(Cn1nc(C)cc1C)c1ccccc1 ZINC000070515917 175964876 /nfs/dbraw/zinc/96/48/76/175964876.db2.gz YJXFUGRGCLLCAZ-KRWDZBQOSA-N 1 0 287.407 2.387 10 0 CEAERO C[C@@]([NH3+])(CO)COc1ccc(Cc2ccccc2)cc1 ZINC000070516263 175965102 /nfs/dbraw/zinc/96/51/02/175965102.db2.gz RMRGIXAQOXFDBZ-QGZVFWFLSA-N 1 0 271.360 2.366 10 0 CEAERO CC[NH2+][C@](C)(CO)CCOc1cccc2cccnc21 ZINC000070517811 175966132 /nfs/dbraw/zinc/96/61/32/175966132.db2.gz IOEQQFCTEWTMQW-INIZCTEOSA-N 1 0 274.364 2.364 10 0 CEAERO Cc1ccc2cccc(OC[C@@]([NH3+])(CO)C3CC3)c2n1 ZINC000070519471 175966444 /nfs/dbraw/zinc/96/64/44/175966444.db2.gz LJKWGSSJFXSBHX-INIZCTEOSA-N 1 0 272.348 2.022 10 0 CEAERO Cc1nc2ccccc2n(C[C@@H](C)C[NH2+]C(C)C)c1=O ZINC000070527620 175971829 /nfs/dbraw/zinc/97/18/29/175971829.db2.gz NAUNFJZITKNRMA-LBPRGKRZSA-N 1 0 273.380 2.339 10 0 CEAERO O[C@H](C[NH2+][C@H]1COc2ccccc21)c1ccccc1 ZINC000070529589 175972114 /nfs/dbraw/zinc/97/21/14/175972114.db2.gz OGVIDILTOUJIJW-LSDHHAIUSA-N 1 0 255.317 2.443 10 0 CEAERO [NH3+]C[C@@H]1CCO[C@H]1c1cccc(Br)c1 ZINC000070674047 176000748 /nfs/dbraw/zinc/00/07/48/176000748.db2.gz ZNOXAMMANSEHGY-ONGXEEELSA-N 1 0 256.143 2.485 10 0 CEAERO [NH3+]Cc1ccn(Cc2cc(F)ccc2Br)n1 ZINC000070708206 176002296 /nfs/dbraw/zinc/00/22/96/176002296.db2.gz JWTBCAFSWRDLLV-UHFFFAOYSA-N 1 0 284.132 2.292 10 0 CEAERO Cc1nn(Cc2ccc(Br)cc2)cc1C[NH3+] ZINC000070708111 176002354 /nfs/dbraw/zinc/00/23/54/176002354.db2.gz HWZXIEJZUUCKNB-UHFFFAOYSA-N 1 0 280.169 2.461 10 0 CEAERO [NH3+][C@H]1CCC(=O)N[C@@H]1c1ccc(Cl)cc1Cl ZINC000070824455 176007456 /nfs/dbraw/zinc/00/74/56/176007456.db2.gz UUPRWXWIYKBQFR-GXSJLCMTSA-N 1 0 259.136 2.272 10 0 CEAERO FC(F)(F)c1ccncc1CN[C@@H]1CCC[NH2+]CC1 ZINC000665299570 415687944 /nfs/dbraw/zinc/68/79/44/415687944.db2.gz PLCKMCICZJWGMF-LLVKDONJSA-N 1 0 273.302 2.332 10 0 CEAERO Nc1ccc(SC[C@@H]2C[NH2+]CCO2)c(Cl)c1 ZINC000070834406 176007805 /nfs/dbraw/zinc/00/78/05/176007805.db2.gz OMVVOIKEBJFYIR-VIFPVBQESA-N 1 0 258.774 2.003 10 0 CEAERO Cc1cc(Br)ccc1OC[C@H]1C[NH2+]CCO1 ZINC000070834184 176008092 /nfs/dbraw/zinc/00/80/92/176008092.db2.gz NNNDSMSEASKXMM-LLVKDONJSA-N 1 0 286.169 2.125 10 0 CEAERO C[NH2+][C@@H](C)c1csc(N(C)CC(F)(F)F)n1 ZINC000070845648 176008838 /nfs/dbraw/zinc/00/88/38/176008838.db2.gz UTIUODSRKVWIPM-LURJTMIESA-N 1 0 253.293 2.422 10 0 CEAERO CCN(c1ncccc1Br)[C@@H]1CC[NH2+]C1 ZINC000070901167 176010893 /nfs/dbraw/zinc/01/08/93/176010893.db2.gz FILCRTUTEUKUGL-SECBINFHSA-N 1 0 270.174 2.032 10 0 CEAERO Cc1ccc(C(=O)N(CC[NH3+])C2CCCC2)cc1O ZINC000070943504 176015808 /nfs/dbraw/zinc/01/58/08/176015808.db2.gz BWRPYCOCYNHUAW-UHFFFAOYSA-N 1 0 262.353 2.044 10 0 CEAERO [NH3+]CCN(C(=O)c1c(F)cccc1F)C1CCCC1 ZINC000070943536 176016369 /nfs/dbraw/zinc/01/63/69/176016369.db2.gz GUJJKITXZBTWSC-UHFFFAOYSA-N 1 0 268.307 2.308 10 0 CEAERO COc1ccc(C(=O)N(CC[NH3+])C2CCCC2)cc1OC ZINC000070943534 176016461 /nfs/dbraw/zinc/01/64/61/176016461.db2.gz ISWPZFZAHHQFKQ-UHFFFAOYSA-N 1 0 292.379 2.047 10 0 CEAERO C[N@H+](CCNC1N=NC(=S)S1)C1CCCC1 ZINC000070945608 176016471 /nfs/dbraw/zinc/01/64/71/176016471.db2.gz OXMZLKPRWJCXOJ-UHFFFAOYSA-N 1 0 258.416 2.113 10 0 CEAERO Cc1cc(C)cc([C@H]2[C@@H]([NH3+])CCC(=O)N2C2CC2)c1 ZINC000070987567 176018692 /nfs/dbraw/zinc/01/86/92/176018692.db2.gz RAXXFKQRTHRWMQ-HOCLYGCPSA-N 1 0 258.365 2.457 10 0 CEAERO CCc1ccccc1[C@H]1[C@H]([NH3+])CCC(=O)N1C1CC1 ZINC000070987076 176018780 /nfs/dbraw/zinc/01/87/80/176018780.db2.gz OLGYAJLSEGBEBM-ZBFHGGJFSA-N 1 0 258.365 2.402 10 0 CEAERO COc1cccc(C2CC([NH2+]Cc3ncc[nH]3)C2)c1 ZINC000070988995 176019245 /nfs/dbraw/zinc/01/92/45/176019245.db2.gz ITPUXRUEVBDPFF-UHFFFAOYSA-N 1 0 257.337 2.454 10 0 CEAERO OC[C@H]1CCCC[N@@H+]1C[C@@H]1OCCc2ccccc21 ZINC000071030831 176021945 /nfs/dbraw/zinc/02/19/45/176021945.db2.gz MTIHOIMCPBPZRY-ZBFHGGJFSA-N 1 0 261.365 2.147 10 0 CEAERO C[C@H](Cc1ccccc1)N1CCC[C@H]([NH2+]C2CC2)C1=O ZINC000071031360 176022528 /nfs/dbraw/zinc/02/25/28/176022528.db2.gz SRMZUWLFRWLRNP-CJNGLKHVSA-N 1 0 272.392 2.361 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCN1c1ccc(N2CCCC2)cc1 ZINC000071031288 176022587 /nfs/dbraw/zinc/02/25/87/176022587.db2.gz RKLRMRAIXODIFG-MRXNPFEDSA-N 1 0 285.391 2.144 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCN1c1ccc(N2CCCC2)cc1 ZINC000071031287 176022700 /nfs/dbraw/zinc/02/27/00/176022700.db2.gz RKLRMRAIXODIFG-INIZCTEOSA-N 1 0 285.391 2.144 10 0 CEAERO COc1ccc(Cl)c(N2CC[C@H]([NH2+]C3CC3)C2=O)c1 ZINC000071031620 176023108 /nfs/dbraw/zinc/02/31/08/176023108.db2.gz WEVOIDZLCRSCDU-LBPRGKRZSA-N 1 0 280.755 2.206 10 0 CEAERO CC(C)[NH2+][C@@H]1CCCN(Cc2ccc(F)cc2)C1=O ZINC000071033388 176023735 /nfs/dbraw/zinc/02/37/35/176023735.db2.gz GYLWAQDEDWCXEW-CQSZACIVSA-N 1 0 264.344 2.315 10 0 CEAERO C[NH2+][C@H]1CCCN([C@@H](C)c2cc(C)oc2C)C1=O ZINC000071035196 176024561 /nfs/dbraw/zinc/02/45/61/176024561.db2.gz DZCJPZPTXVSLLZ-GWCFXTLKSA-N 1 0 250.342 2.168 10 0 CEAERO CC[NH2+][C@@H]1CCN(c2nc(C(C)(C)C)cs2)C1=O ZINC000071034802 176024673 /nfs/dbraw/zinc/02/46/73/176024673.db2.gz GFELGWUWINAHNX-SECBINFHSA-N 1 0 267.398 2.155 10 0 CEAERO C[NH2+][C@@H]1CCCN(Cc2ccc(Br)cc2)C1=O ZINC000071035626 176025486 /nfs/dbraw/zinc/02/54/86/176025486.db2.gz FMFFEGWBSHDONP-GFCCVEGCSA-N 1 0 297.196 2.160 10 0 CEAERO COc1cccc(CN2CCC[C@@H]([NH2+]C(C)C)C2=O)c1 ZINC000071041243 176027943 /nfs/dbraw/zinc/02/79/43/176027943.db2.gz JFIPMPPAZJLFOR-OAHLLOKOSA-N 1 0 276.380 2.184 10 0 CEAERO Cc1cccc(CN2CCC[C@@H]([NH2+]C3CC3)C2=O)c1 ZINC000071041280 176028095 /nfs/dbraw/zinc/02/80/95/176028095.db2.gz HGUVVXYZTWXUMP-OAHLLOKOSA-N 1 0 258.365 2.238 10 0 CEAERO C[C@H](c1ccsc1)N1CC[C@@H]([NH2+]C2CC2)C1=O ZINC000071042813 176029318 /nfs/dbraw/zinc/02/93/18/176029318.db2.gz QHGDVKYYUMEFQQ-BXKDBHETSA-N 1 0 250.367 2.162 10 0 CEAERO C[NH2+][C@H]1CCCN([C@H]2CCCc3sccc32)C1=O ZINC000071042767 176029340 /nfs/dbraw/zinc/02/93/40/176029340.db2.gz CNSVALSSPGXLHV-RYUDHWBXSA-N 1 0 264.394 2.336 10 0 CEAERO CCC[NH2+][C@@H]1CCCN(CCCOc2ccccc2)C1=O ZINC000071043208 176029415 /nfs/dbraw/zinc/02/94/15/176029415.db2.gz ZKMSTXZTGVWCPO-MRXNPFEDSA-N 1 0 290.407 2.446 10 0 CEAERO CC(C)[C@H](CN(C)C)[NH2+]C[C@H]1OCCc2ccccc21 ZINC000071090879 176031267 /nfs/dbraw/zinc/03/12/67/176031267.db2.gz ALVYUAKJBFKMSL-DLBZAZTESA-N 1 0 276.424 2.476 10 0 CEAERO COc1ncccc1C[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000071090709 176031339 /nfs/dbraw/zinc/03/13/39/176031339.db2.gz KSMZSYJAXSMMCK-INIZCTEOSA-N 1 0 284.359 2.494 10 0 CEAERO C[NH2+][C@H](c1ccc2c(c1)C(=O)N(C)C(=O)C2)C1CCCC1 ZINC000071139458 176038001 /nfs/dbraw/zinc/03/80/01/176038001.db2.gz NQKXFIFRSUZRFC-INIZCTEOSA-N 1 0 286.375 2.292 10 0 CEAERO CC[NH2+][C@@H](c1ccc2c(c1)C(=O)N(C)C(=O)C2)[C@H]1C[C@@H]1C ZINC000071139493 176038097 /nfs/dbraw/zinc/03/80/97/176038097.db2.gz MJEICDWFECGDKZ-NKFCBESUSA-N 1 0 286.375 2.148 10 0 CEAERO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(Cl)cn2C(C)C)C1 ZINC000071142809 176040690 /nfs/dbraw/zinc/04/06/90/176040690.db2.gz ZMZPSDQFKQTRKT-NSHDSACASA-N 1 0 283.803 2.404 10 0 CEAERO C[NH2+]C[C@H]1CCN(Cc2nnc(-c3cccc(C)c3)o2)C1 ZINC000071145737 176042203 /nfs/dbraw/zinc/04/22/03/176042203.db2.gz POLSMTTVEQOLEF-CYBMUJFWSA-N 1 0 286.379 2.086 10 0 CEAERO CC[C@H]1CCC[C@@H]([NH+]2CCN([C@@H](C)C(N)=S)CC2)C1 ZINC000071148240 176043966 /nfs/dbraw/zinc/04/39/66/176043966.db2.gz CJUHWYJQHWQWKU-MELADBBJSA-N 1 0 283.485 2.247 10 0 CEAERO CC[C@@H]1CCCC[C@@]1(C[NH3+])N1CC[N@H+](C)C(C)(C)C1 ZINC000071162259 176046402 /nfs/dbraw/zinc/04/64/02/176046402.db2.gz ACZRNAHRAHNJOE-ZBFHGGJFSA-N 1 0 267.461 2.310 10 0 CEAERO CC[C@@H]1CCCC[C@@]1(C[NH3+])N(C)Cc1cnn(C)c1 ZINC000071161850 176046671 /nfs/dbraw/zinc/04/66/71/176046671.db2.gz VMKXXHDUVCEEBP-CABCVRRESA-N 1 0 264.417 2.150 10 0 CEAERO CC1(C)Cc2cc(C[NH2+]Cc3cn[nH]c3)ccc2O1 ZINC000071170268 176050944 /nfs/dbraw/zinc/05/09/44/176050944.db2.gz QHFYKCZDCYWDNF-UHFFFAOYSA-N 1 0 257.337 2.413 10 0 CEAERO CC(C)Oc1cncc(N(C)c2cccc(C[NH3+])c2)n1 ZINC000071175870 176054679 /nfs/dbraw/zinc/05/46/79/176054679.db2.gz AYFGWNUSRYHNGQ-UHFFFAOYSA-N 1 0 272.352 2.490 10 0 CEAERO CC(C)Oc1cncc(N[C@H](C[NH3+])Cc2ccccc2)n1 ZINC000071177437 176055118 /nfs/dbraw/zinc/05/51/18/176055118.db2.gz KATSZQVHFDKBIQ-AWEZNQCLSA-N 1 0 286.379 2.246 10 0 CEAERO CCCOc1cncc(Nc2ccccc2C[NH3+])n1 ZINC000071177422 176055224 /nfs/dbraw/zinc/05/52/24/176055224.db2.gz UKTSVHFQCSPVKR-UHFFFAOYSA-N 1 0 258.325 2.468 10 0 CEAERO CN(Cc1ccccc1Cl)c1cnc(C[NH3+])cn1 ZINC000071177869 176055689 /nfs/dbraw/zinc/05/56/89/176055689.db2.gz VYWJVKMBDOKGKB-UHFFFAOYSA-N 1 0 262.744 2.225 10 0 CEAERO CC[NH2+][C@@H](C)c1cc(C)ccc1O[C@@H]1CCN(C)C1=O ZINC000071182992 176058051 /nfs/dbraw/zinc/05/80/51/176058051.db2.gz DRFATIAQKVQTHL-SWLSCSKDSA-N 1 0 276.380 2.275 10 0 CEAERO CC[NH2+][C@H](CC)c1ccc(O[C@@H]2CCN(C)C2=O)cc1 ZINC000071182949 176058165 /nfs/dbraw/zinc/05/81/65/176058165.db2.gz AXSQBPJJCHLVHL-HUUCEWRRSA-N 1 0 276.380 2.357 10 0 CEAERO CC(C)C[NH2+]Cc1ccc(O[C@@H]2CCN(C)C2=O)cc1 ZINC000071183140 176058648 /nfs/dbraw/zinc/05/86/48/176058648.db2.gz XOSZLZPSLYDXMU-OAHLLOKOSA-N 1 0 276.380 2.042 10 0 CEAERO CCC[C@@H]([NH2+][C@@H]1CCN(C)C1=O)c1cccs1 ZINC000071183725 176059187 /nfs/dbraw/zinc/05/91/87/176059187.db2.gz CPWHIOFFQGLCEK-GHMZBOCLSA-N 1 0 252.383 2.410 10 0 CEAERO CN(C[C@@H]1CC[N@H+](C)C1)c1cc(CO)c2ccccc2n1 ZINC000071190280 176066983 /nfs/dbraw/zinc/06/69/83/176066983.db2.gz QEHHMTCNNSRNLB-CYBMUJFWSA-N 1 0 285.391 2.115 10 0 CEAERO CNc1ccc(C)cc1C(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000071193202 176075269 /nfs/dbraw/zinc/07/52/69/176075269.db2.gz ZLOUOWPXERVBCC-ZDUSSCGKSA-N 1 0 275.396 2.060 10 0 CEAERO Cc1noc2ncnc(NC[C@@H]([NH3+])c3ccccc3)c12 ZINC000071194743 176075956 /nfs/dbraw/zinc/07/59/56/176075956.db2.gz MWYDWYPTLCIFSH-LLVKDONJSA-N 1 0 269.308 2.038 10 0 CEAERO COc1ccc(CCN2CC[C@@H]([NH2+]C3CC3)C2)cc1 ZINC000071197904 176076904 /nfs/dbraw/zinc/07/69/04/176076904.db2.gz NEIMPGMTSRSZJE-OAHLLOKOSA-N 1 0 260.381 2.064 10 0 CEAERO CCC[NH2+][C@@H]1CCCN(CCOCC(F)(F)F)C1 ZINC000071199941 176077129 /nfs/dbraw/zinc/07/71/29/176077129.db2.gz UXGBKMGPMMFVGY-LLVKDONJSA-N 1 0 268.323 2.029 10 0 CEAERO C[NH2+][C@H]1CCCN([C@@H](C)Cc2ccc(F)cc2)C1 ZINC000071200223 176077178 /nfs/dbraw/zinc/07/71/78/176077178.db2.gz MDMMTSNLLJTSLB-WFASDCNBSA-N 1 0 250.361 2.441 10 0 CEAERO Cc1ncc(CN2CCC[C@H]([NH2+]C3CC3)C2)s1 ZINC000071200743 176077566 /nfs/dbraw/zinc/07/75/66/176077566.db2.gz MJYMASTVLSZVCE-LBPRGKRZSA-N 1 0 251.399 2.168 10 0 CEAERO CC(C)[NH2+][C@@H]1CCCN(CCc2nccs2)C1 ZINC000071200263 176077917 /nfs/dbraw/zinc/07/79/17/176077917.db2.gz ZOXNYJLKMQCKLA-GFCCVEGCSA-N 1 0 253.415 2.148 10 0 CEAERO CCOC(=O)c1ncsc1NCC[NH+](CC)CC ZINC000071201676 176078055 /nfs/dbraw/zinc/07/80/55/176078055.db2.gz JGDVBFYPGCHHJF-UHFFFAOYSA-N 1 0 271.386 2.074 10 0 CEAERO C[C@H]1CCC[C@H]1[NH2+][C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000071207041 176080468 /nfs/dbraw/zinc/08/04/68/176080468.db2.gz LQCRLCZCYSJLSB-IACUBPJLSA-N 1 0 272.348 2.097 10 0 CEAERO Cc1ncsc1CN1CC[C@H](C[NH2+]C(C)C)C1 ZINC000071213158 176085020 /nfs/dbraw/zinc/08/50/20/176085020.db2.gz ZJEHZONJHCLLFF-GFCCVEGCSA-N 1 0 253.415 2.271 10 0 CEAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H](O)C1CC1 ZINC000071277803 176107645 /nfs/dbraw/zinc/10/76/45/176107645.db2.gz RYGKOKVWBDRUJG-JKSUJKDBSA-N 1 0 261.365 2.433 10 0 CEAERO CCOC(=O)CCCCC[NH2+]C(CC)(CC)CO ZINC000071297308 176112111 /nfs/dbraw/zinc/11/21/11/176112111.db2.gz FCBJIECLBRFGJS-UHFFFAOYSA-N 1 0 259.390 2.251 10 0 CEAERO CCOC(=O)CCCCCN(CC)[C@H]1CCC[NH2+]C1 ZINC000071297807 176112377 /nfs/dbraw/zinc/11/23/77/176112377.db2.gz WLHSIOYECSUMGT-AWEZNQCLSA-N 1 0 270.417 2.184 10 0 CEAERO CCOC(=O)CCCCC[N@@H+]1CCC[C@H]1C(=O)OCC ZINC000071297922 176112444 /nfs/dbraw/zinc/11/24/44/176112444.db2.gz HITQHENMEGKNGM-ZDUSSCGKSA-N 1 0 285.384 2.137 10 0 CEAERO CN(Cc1nnc(-c2ccc(Cl)cc2)o1)[C@@H]1CC[NH2+]C1 ZINC000071310793 176118155 /nfs/dbraw/zinc/11/81/55/176118155.db2.gz PSPHPDCMTVDVMA-GFCCVEGCSA-N 1 0 292.770 2.184 10 0 CEAERO CCN([C@@H](C)c1ccc(OC)cc1OC)[C@@H]1CC[NH2+]C1 ZINC000071312251 176118974 /nfs/dbraw/zinc/11/89/74/176118974.db2.gz IZAGZRURQVIDHA-QWHCGFSZSA-N 1 0 278.396 2.449 10 0 CEAERO CCN(C(=O)c1ccc(Cl)cc1OC)[C@H]1CC[NH2+]C1 ZINC000071312396 176119343 /nfs/dbraw/zinc/11/93/43/176119343.db2.gz QYXYRDJVMDOVSS-NSHDSACASA-N 1 0 282.771 2.173 10 0 CEAERO CCN(Cc1nnc(-c2ccc(F)cc2)o1)[C@H]1CC[NH2+]C1 ZINC000071313221 176119739 /nfs/dbraw/zinc/11/97/39/176119739.db2.gz LWKDSTNVMODAPM-ZDUSSCGKSA-N 1 0 290.342 2.060 10 0 CEAERO Cn1nccc1Cn1c(N)[nH+]c2cc(Cl)ccc21 ZINC000071334581 176126673 /nfs/dbraw/zinc/12/66/73/176126673.db2.gz VGCAIRZEPFLMGR-UHFFFAOYSA-N 1 0 261.716 2.054 10 0 CEAERO C[NH2+][C@H](C)c1ccc(N2C(=O)c3ccncc3C2=O)cc1 ZINC000071336823 176128473 /nfs/dbraw/zinc/12/84/73/176128473.db2.gz VENYSLRBSXCZHQ-SNVBAGLBSA-N 1 0 281.315 2.163 10 0 CEAERO C[C@H]1CCC[NH2+][C@@H]1CNC(=O)CCC1CCCC1 ZINC000071338481 176128675 /nfs/dbraw/zinc/12/86/75/176128675.db2.gz VSNXNCHTWWYCQJ-GXTWGEPZSA-N 1 0 252.402 2.461 10 0 CEAERO CCOc1ccccc1C(=O)NC[C@@H]1[NH2+]CCC[C@H]1C ZINC000071338485 176128702 /nfs/dbraw/zinc/12/87/02/176128702.db2.gz YKZWDDSSUWBBJQ-OCCSQVGLSA-N 1 0 276.380 2.203 10 0 CEAERO Cc1ccccc1CC(=O)NC[C@H]1[NH2+]CCC[C@@H]1C ZINC000071338662 176128917 /nfs/dbraw/zinc/12/89/17/176128917.db2.gz RDQTYKIBTZHFFB-DZGCQCFKSA-N 1 0 260.381 2.042 10 0 CEAERO Cc1ccc(F)c(C(=O)NC[C@H]2[NH2+]CCC[C@H]2C)c1 ZINC000071338820 176128955 /nfs/dbraw/zinc/12/89/55/176128955.db2.gz FXZIEEWHXODINJ-BXUZGUMPSA-N 1 0 264.344 2.252 10 0 CEAERO C[C@H]1CCC[NH2+][C@@H]1CNC(=O)Nc1ccc(F)cc1F ZINC000071338971 176129313 /nfs/dbraw/zinc/12/93/13/176129313.db2.gz IYWUVFZZVRSCKA-TVQRCGJNSA-N 1 0 283.322 2.474 10 0 CEAERO COc1ccc(NC(=O)NC[C@H]2[NH2+]CCC[C@@H]2C)cc1 ZINC000071338959 176129431 /nfs/dbraw/zinc/12/94/31/176129431.db2.gz OXSLMSNGPJZLDI-SMDDNHRTSA-N 1 0 277.368 2.205 10 0 CEAERO CC(C)n1ccc(CN2CC(C)(C)[NH2+]C[C@H]2C2CC2)n1 ZINC000071342807 176130538 /nfs/dbraw/zinc/13/05/38/176130538.db2.gz WHKYQTNQZWEDIR-HNNXBMFYSA-N 1 0 276.428 2.426 10 0 CEAERO CC(C)n1ccc(CN2CC(C)(C)[NH2+]C[C@@H]2C2CC2)n1 ZINC000071342806 176130648 /nfs/dbraw/zinc/13/06/48/176130648.db2.gz WHKYQTNQZWEDIR-OAHLLOKOSA-N 1 0 276.428 2.426 10 0 CEAERO CCn1cc(CN2CC(C)(C)[NH2+]C[C@]2(C)C2CC2)cn1 ZINC000071343382 176130964 /nfs/dbraw/zinc/13/09/64/176130964.db2.gz CKJCWCHMIHZJHW-MRXNPFEDSA-N 1 0 276.428 2.256 10 0 CEAERO CCC[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1CCOCCOC ZINC000071346741 176131824 /nfs/dbraw/zinc/13/18/24/176131824.db2.gz AVVMEMOQRIUJFE-LSDHHAIUSA-N 1 0 286.460 2.138 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C(C)(C)C)CN1CCn1ccnc1C ZINC000071346522 176132084 /nfs/dbraw/zinc/13/20/84/176132084.db2.gz CEZQDYNXXHJGTI-GJZGRUSLSA-N 1 0 278.444 2.290 10 0 CEAERO CC(C)(C)[C@H]1C[N@H+](CCCn2ccnc2)[C@H](C2CC2)CN1 ZINC000071347788 176132695 /nfs/dbraw/zinc/13/26/95/176132695.db2.gz YHMZPRANSGYNFX-JKSUJKDBSA-N 1 0 290.455 2.372 10 0 CEAERO Cc1nccn1CCN1C[C@H](C(C)(C)C)[NH2+]CC1(C)C ZINC000071348436 176132700 /nfs/dbraw/zinc/13/27/00/176132700.db2.gz REXOELVGWICNHH-CQSZACIVSA-N 1 0 278.444 2.290 10 0 CEAERO C[C@H]1C[NH2+][C@H](Cc2ccccc2)CN1C[C@@H]1CCCCO1 ZINC000071352531 176135260 /nfs/dbraw/zinc/13/52/60/176135260.db2.gz MWUPUGRBBSXNQV-JQHSSLGASA-N 1 0 288.435 2.461 10 0 CEAERO C[C@H]1C[NH2+][C@H](Cc2ccccc2)CN1Cc1cccnc1 ZINC000071352653 176135387 /nfs/dbraw/zinc/13/53/87/176135387.db2.gz YBKBMFFPUFDXOU-MAUKXSAKSA-N 1 0 281.403 2.487 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@H](Cc2ccccc2)CN1[C@@H]1CCOC1 ZINC000071352964 176135660 /nfs/dbraw/zinc/13/56/60/176135660.db2.gz UEYXFSHYVRYCDN-KURKYZTESA-N 1 0 288.435 2.316 10 0 CEAERO CC[C@@H]1C[NH2+]C2(CCCC2)CN1CCn1ccnc1C ZINC000071358318 176137389 /nfs/dbraw/zinc/13/73/89/176137389.db2.gz BHVZGVJCTDUZJE-OAHLLOKOSA-N 1 0 276.428 2.188 10 0 CEAERO CC[C@]1(C)CN(Cc2cnn(C)c2)C2(CCCC2)C[NH2+]1 ZINC000071357992 176137999 /nfs/dbraw/zinc/13/79/99/176137999.db2.gz UDFMPRRHTNYNIJ-OAHLLOKOSA-N 1 0 276.428 2.307 10 0 CEAERO CCn1c(C[NH3+])nnc1SCc1cc(F)ccc1OC ZINC000071374969 176140558 /nfs/dbraw/zinc/14/05/58/176140558.db2.gz VLHAOYIWFPKLOL-UHFFFAOYSA-N 1 0 296.371 2.197 10 0 CEAERO CC(C)[NH+]1CCN(C(=O)c2ccc(N)c(Cl)c2)CC1 ZINC000071395375 176149545 /nfs/dbraw/zinc/14/95/45/176149545.db2.gz CLEWDQRXMXMBQJ-UHFFFAOYSA-N 1 0 281.787 2.088 10 0 CEAERO C[NH+](C)C1CCN(C(=O)c2ccc(N)c(Cl)c2)CC1 ZINC000071395377 176149735 /nfs/dbraw/zinc/14/97/35/176149735.db2.gz WNJYNDPEAYEIFH-UHFFFAOYSA-N 1 0 281.787 2.088 10 0 CEAERO CC[NH2+]Cc1ccc(OCCC(N)=O)c(C(F)(F)F)c1 ZINC000071398609 176151675 /nfs/dbraw/zinc/15/16/75/176151675.db2.gz GLSDZLHNBSMINU-UHFFFAOYSA-N 1 0 290.285 2.069 10 0 CEAERO CC[C@H](Oc1ccc(C[NH2+]C)cc1C(F)(F)F)C(N)=O ZINC000071398519 176151692 /nfs/dbraw/zinc/15/16/92/176151692.db2.gz OGTXYECSALHTQD-JTQLQIEISA-N 1 0 290.285 2.068 10 0 CEAERO COC(=O)[C@@H](C)Oc1ccc(C[NH3+])cc1C(F)(F)F ZINC000071398295 176151916 /nfs/dbraw/zinc/15/19/16/176151916.db2.gz CMZRCBUVCUKIOU-SSDOTTSWSA-N 1 0 277.242 2.104 10 0 CEAERO [NH3+][C@@H](CCC(=O)NCCc1ccco1)c1ccccc1 ZINC000071400412 176152744 /nfs/dbraw/zinc/15/27/44/176152744.db2.gz JPELURWYDUBZLA-HNNXBMFYSA-N 1 0 272.348 2.419 10 0 CEAERO [NH3+][C@H](CCC(=O)NCC[C@@H]1CCCO1)c1ccccc1 ZINC000071400889 176153055 /nfs/dbraw/zinc/15/30/55/176153055.db2.gz ZPVBTAKAAWDCIQ-LSDHHAIUSA-N 1 0 276.380 2.152 10 0 CEAERO [NH3+][C@@H](CCC(=O)Nc1nnc(C2CC2)o1)c1ccccc1 ZINC000071401098 176153577 /nfs/dbraw/zinc/15/35/77/176153577.db2.gz SVDYJOWYKCZQRK-LBPRGKRZSA-N 1 0 286.335 2.366 10 0 CEAERO CC[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(C)cc1C[NH2+]C ZINC000071403670 176155169 /nfs/dbraw/zinc/15/51/69/176155169.db2.gz BKPBAPOHUQOFQP-CHWSQXEVSA-N 1 0 278.396 2.396 10 0 CEAERO CC[NH2+]Cc1cc(C)ccc1O[C@@H](C)C(=O)OC ZINC000071403818 176155236 /nfs/dbraw/zinc/15/52/36/176155236.db2.gz IHGRPTHTPAGERA-NSHDSACASA-N 1 0 251.326 2.045 10 0 CEAERO CC[NH2+]Cc1cc(C)ccc1OCC(=O)N[C@H](C)CC ZINC000071406112 176155817 /nfs/dbraw/zinc/15/58/17/176155817.db2.gz YHKDKMJUFMRUKX-CYBMUJFWSA-N 1 0 278.396 2.398 10 0 CEAERO CCC[NH2+]Cc1cc(C)ccc1OCCN1CCOCC1 ZINC000071406308 176155950 /nfs/dbraw/zinc/15/59/50/176155950.db2.gz RHVNAOCAIOVJTG-UHFFFAOYSA-N 1 0 292.423 2.206 10 0 CEAERO CCCNC(=O)COc1ccc(C)cc1C[NH2+]C(C)C ZINC000071406689 176156238 /nfs/dbraw/zinc/15/62/38/176156238.db2.gz SPPCUADOTMCXHU-UHFFFAOYSA-N 1 0 278.396 2.398 10 0 CEAERO Cc1ccc(OC[C@@H]2CNC(=O)O2)c(C[NH2+]C(C)(C)C)c1 ZINC000071407094 176156246 /nfs/dbraw/zinc/15/62/46/176156246.db2.gz UXZUBIBSYVCJRY-ZDUSSCGKSA-N 1 0 292.379 2.370 10 0 CEAERO Cc1ccc(O[C@@H](C)C(=O)N2CCCCC2)c(CC[NH3+])c1 ZINC000071411362 176157225 /nfs/dbraw/zinc/15/72/25/176157225.db2.gz NOVRIKDVXLCUCD-AWEZNQCLSA-N 1 0 290.407 2.276 10 0 CEAERO CC[C@H]([NH3+])Cc1cc(C)ccc1OCCC(=O)NC1CC1 ZINC000071412238 176157583 /nfs/dbraw/zinc/15/75/83/176157583.db2.gz IVMKYHVZUUVYNT-AWEZNQCLSA-N 1 0 290.407 2.322 10 0 CEAERO [NH3+]CC[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000071485008 176189253 /nfs/dbraw/zinc/18/92/53/176189253.db2.gz CEIRXDLTBFIZPM-ZDUSSCGKSA-N 1 0 262.353 2.384 10 0 CEAERO C[NH2+][C@@H](C(=O)c1ccc(OC)c(OC)c1)C(C)C ZINC000071573076 176199220 /nfs/dbraw/zinc/19/92/20/176199220.db2.gz WPFVMBCKUYMPTJ-CYBMUJFWSA-N 1 0 251.326 2.131 10 0 CEAERO CC[NH2+][C@H](C)[C@@H](O)c1cc(OC)c(C)cc1OC ZINC000071574796 176201779 /nfs/dbraw/zinc/20/17/79/176201779.db2.gz CSBMONGGIZCBAC-QMTHXVAHSA-N 1 0 253.342 2.044 10 0 CEAERO COc1ccc(Br)cc1C1(C[NH3+])CC1 ZINC000071577340 176206065 /nfs/dbraw/zinc/20/60/65/176206065.db2.gz WRAUCQRQLKQAKF-UHFFFAOYSA-N 1 0 256.143 2.448 10 0 CEAERO CCCOc1ccc(-c2ccc(CC[NH3+])nn2)cc1 ZINC000071582581 176207435 /nfs/dbraw/zinc/20/74/35/176207435.db2.gz ZGJQRAIHEYLQDQ-UHFFFAOYSA-N 1 0 257.337 2.434 10 0 CEAERO CCOc1cccc(CCCN2CCC[NH2+]CC2)c1 ZINC000071589131 176217390 /nfs/dbraw/zinc/21/73/90/176217390.db2.gz HYRPXQKHTARUPW-UHFFFAOYSA-N 1 0 262.397 2.313 10 0 CEAERO C[NH2+][C@H](C(=O)c1cc(OC)c(C)cc1OC)C(C)C ZINC000071597812 176221039 /nfs/dbraw/zinc/22/10/39/176221039.db2.gz YTSKYFXHPRVTHV-AWEZNQCLSA-N 1 0 265.353 2.439 10 0 CEAERO COC(=O)C1(c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000071652411 176241656 /nfs/dbraw/zinc/24/16/56/176241656.db2.gz SGOROOIBNLTXCJ-UHFFFAOYSA-N 1 0 298.180 2.243 10 0 CEAERO c1nc(CC[C@H]2CCCC[NH2+]2)cc(N2CCCC2)n1 ZINC000072386395 176391839 /nfs/dbraw/zinc/39/18/39/176391839.db2.gz MVCXZMKIUVMJBW-CYBMUJFWSA-N 1 0 260.385 2.152 10 0 CEAERO CN(CC(C)(C)[NH3+])c1ccc(Br)cn1 ZINC000656609972 415784685 /nfs/dbraw/zinc/78/46/85/415784685.db2.gz XYQOGKOBCSTLNA-UHFFFAOYSA-N 1 0 258.163 2.018 10 0 CEAERO [NH3+]CC12CC(C1)CN2c1ncc(Cl)cc1Cl ZINC000656611821 415787513 /nfs/dbraw/zinc/78/75/13/415787513.db2.gz LFKRGWYCNDMFCQ-UHFFFAOYSA-N 1 0 258.152 2.316 10 0 CEAERO CC[C@H]([NH2+]C)C(=O)N[C@H](C)c1cc(F)ccc1F ZINC000662378569 415813722 /nfs/dbraw/zinc/81/37/22/415813722.db2.gz AESCKCMOVKXBQH-PELKAZGASA-N 1 0 256.296 2.140 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C1CCC2(CC2)CC1 ZINC000662559568 415885711 /nfs/dbraw/zinc/88/57/11/415885711.db2.gz AWKULGOUCCJSEX-WCQYABFASA-N 1 0 250.386 2.214 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCC[C@H](C2CCC2)C1 ZINC000662716483 415941377 /nfs/dbraw/zinc/94/13/77/415941377.db2.gz UEFWNALKMQWJTM-KBPBESRZSA-N 1 0 252.402 2.399 10 0 CEAERO COc1cc(C)c(C(=O)[C@@H](C)[NH2+]C2CC2)cc1OC ZINC000076362313 177002715 /nfs/dbraw/zinc/00/27/15/177002715.db2.gz VBVJRIZJNAZBHZ-SNVBAGLBSA-N 1 0 263.337 2.335 10 0 CEAERO C[NH2+]CCOCCc1cc(Br)cs1 ZINC000076365035 177003793 /nfs/dbraw/zinc/00/37/93/177003793.db2.gz QVRQNOWOMRTUMQ-UHFFFAOYSA-N 1 0 264.188 2.289 10 0 CEAERO C[NH2+]CCC(=O)N[C@H](C)c1ccc(OC)cc1Cl ZINC000076408967 177019916 /nfs/dbraw/zinc/01/99/16/177019916.db2.gz YLMGNMUQJUGPPK-SECBINFHSA-N 1 0 270.760 2.135 10 0 CEAERO CCOc1ccc([C@@H](C)NC(=O)C[NH2+]C)cc1Cl ZINC000076408852 177020022 /nfs/dbraw/zinc/02/00/22/177020022.db2.gz HPJSSVWVOUAROA-SECBINFHSA-N 1 0 270.760 2.135 10 0 CEAERO COc1cc(N2CCC[NH2+]CC2)c(OC)cc1Cl ZINC000076408775 177020049 /nfs/dbraw/zinc/02/00/49/177020049.db2.gz OZGBEERLIAZLLC-UHFFFAOYSA-N 1 0 270.760 2.157 10 0 CEAERO COc1ccc(NC(=O)C[C@@H](C)C[NH3+])cc1Cl ZINC000076663495 177050079 /nfs/dbraw/zinc/05/00/79/177050079.db2.gz MANYNJFVLZDMSH-MRVPVSSYSA-N 1 0 256.733 2.272 10 0 CEAERO CC(=O)c1ccc(N(CCC(C)C)C(=O)C[NH3+])cc1 ZINC000076675036 177055586 /nfs/dbraw/zinc/05/55/86/177055586.db2.gz FDNLPGQWUQOVNZ-UHFFFAOYSA-N 1 0 262.353 2.227 10 0 CEAERO CC(C)(C)OC(=O)N1CCC2(CC1)[C@@H]([NH3+])C2(C)C ZINC000076695637 177060313 /nfs/dbraw/zinc/06/03/13/177060313.db2.gz DBEUXXNTYCKSDS-JTQLQIEISA-N 1 0 254.374 2.371 10 0 CEAERO CCCN(Cc1ccc(OC)c(Cl)c1)C(=O)C[NH3+] ZINC000076710745 177068002 /nfs/dbraw/zinc/06/80/02/177068002.db2.gz XQCGZBXJNHRILV-UHFFFAOYSA-N 1 0 270.760 2.046 10 0 CEAERO CCOC(=O)CCCCC[N@H+]1[C@H](C)COC[C@@H]1C ZINC000077369874 177259428 /nfs/dbraw/zinc/25/94/28/177259428.db2.gz RIWXJKNMLKRPIW-BETUJISGSA-N 1 0 257.374 2.219 10 0 CEAERO CC[NH+](CC)C[C@@H](C)Nc1nnc(Br)s1 ZINC000077898727 177308857 /nfs/dbraw/zinc/30/88/57/177308857.db2.gz TZMCQVJAOFUQKF-SSDOTTSWSA-N 1 0 293.234 2.443 10 0 CEAERO C[NH+](C)CC1CCN(C(=O)Oc2ccccc2)CC1 ZINC000078743050 177380638 /nfs/dbraw/zinc/38/06/38/177380638.db2.gz JSUZFAIXHCNWQT-UHFFFAOYSA-N 1 0 262.353 2.459 10 0 CEAERO COCC[NH2+]CCCCc1ccc2c(c1)OCCO2 ZINC000078783177 177387575 /nfs/dbraw/zinc/38/75/75/177387575.db2.gz UPYRRBMEXHMDNB-UHFFFAOYSA-N 1 0 265.353 2.017 10 0 CEAERO CC(C)[C@H](C)NC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000079123250 177438171 /nfs/dbraw/zinc/43/81/71/177438171.db2.gz MSYPZVATRKLYRH-ZDUSSCGKSA-N 1 0 267.417 2.301 10 0 CEAERO CC[C@H](CC[NH3+])CCc1nc(Cc2ccncc2)no1 ZINC000079200646 177444088 /nfs/dbraw/zinc/44/40/88/177444088.db2.gz LHTJYWRRTCRPHC-LBPRGKRZSA-N 1 0 274.368 2.363 10 0 CEAERO CC[C@@H](CC[NH3+])CCC(=O)NCc1scnc1C ZINC000079213388 177449066 /nfs/dbraw/zinc/44/90/66/177449066.db2.gz WSZFBLSPFAVHFQ-LLVKDONJSA-N 1 0 269.414 2.223 10 0 CEAERO CCC[C@H](CC[NH3+])CCC(=O)N1CCSCC1 ZINC000079235796 177453004 /nfs/dbraw/zinc/45/30/04/177453004.db2.gz NDRBBLVYDXHIBU-LBPRGKRZSA-N 1 0 258.431 2.107 10 0 CEAERO CC(C)[C@@H]1CCC(=O)N([C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000079248176 177456352 /nfs/dbraw/zinc/45/63/52/177456352.db2.gz ROAAPXFGCLDHMY-ZJUUUORDSA-N 1 0 266.307 2.161 10 0 CEAERO CC(C)Cn1cnnc1CC[C@@H](CC[NH3+])C(C)C ZINC000079253787 177458984 /nfs/dbraw/zinc/45/89/84/177458984.db2.gz PEMHZNABGFUHKS-ZDUSSCGKSA-N 1 0 252.406 2.488 10 0 CEAERO CC[C@@H]1CN(C(=O)CC[C@@H](CC[NH3+])C(C)C)CCO1 ZINC000079255261 177459235 /nfs/dbraw/zinc/45/92/35/177459235.db2.gz HQYDLSIGMPWSOL-UONOGXRCSA-N 1 0 270.417 2.025 10 0 CEAERO CC(C)(C)[C@@H]1CCC(=O)N(C[C@H]([NH3+])C2CC2)CC1 ZINC000079282238 177462822 /nfs/dbraw/zinc/46/28/22/177462822.db2.gz ZETKJZOGFYZCIR-OLZOCXBDSA-N 1 0 252.402 2.399 10 0 CEAERO CC(C)[C@H]1CCCN(C(=O)c2ccc(NN)[nH+]c2)CC1 ZINC000079408875 177482066 /nfs/dbraw/zinc/48/20/66/177482066.db2.gz WKKVHGFFLFFFPT-LBPRGKRZSA-N 1 0 276.384 2.266 10 0 CEAERO CCC[C@@H](COC)[NH2+]C[C@H](O)CO[C@@H](C)CC(C)C ZINC000079743339 177549079 /nfs/dbraw/zinc/54/90/79/177549079.db2.gz JMYDFCVDLJLIHH-KKUMJFAQSA-N 1 0 275.433 2.203 10 0 CEAERO CC[C@](C)(NC(=O)NC12CC3CC(CC(C3)C1)C2)C(N)=[NH2+] ZINC000079780491 177557404 /nfs/dbraw/zinc/55/74/04/177557404.db2.gz BXNLRTKYGCOGSX-AANXBIRDSA-N 1 0 292.427 2.359 10 0 CEAERO CCCCNC(=O)N(C)[C@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000079868993 177572867 /nfs/dbraw/zinc/57/28/67/177572867.db2.gz MKSIRPJAPDPBEJ-TZMCWYRMSA-N 1 0 255.406 2.336 10 0 CEAERO C[C@@H]1CCC[C@@](C[NH3+])(N(C)S(=O)(=O)CC(C)(C)C)C1 ZINC000080185911 177620210 /nfs/dbraw/zinc/62/02/10/177620210.db2.gz BXYGOJWACCBGNN-TZMCWYRMSA-N 1 0 290.473 2.202 10 0 CEAERO [NH3+][C@H]1CCC[C@@H](C(=O)N2CCC3(CC3(F)F)CC2)C1 ZINC000405101329 419402443 /nfs/dbraw/zinc/40/24/43/419402443.db2.gz HWINYASBDXPGIM-MNOVXSKESA-N 1 0 272.339 2.152 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)NCCCN(C)c1ccccc1 ZINC000136295612 419443131 /nfs/dbraw/zinc/44/31/31/419443131.db2.gz GJEDQZIMFCOYHU-OAHLLOKOSA-N 1 0 277.412 2.003 10 0 CEAERO COc1cccc([C@@H](C)NC(=O)C[C@@H]([NH3+])C(C)C)c1 ZINC000136366843 419444374 /nfs/dbraw/zinc/44/43/74/419444374.db2.gz OKZPGPKXKFXBIT-BXUZGUMPSA-N 1 0 264.369 2.246 10 0 CEAERO CCOCc1ccccc1CNC(=O)C[C@H]([NH3+])C(C)C ZINC000136365914 419445049 /nfs/dbraw/zinc/44/50/49/419445049.db2.gz GEMCQTJROXQSAE-HNNXBMFYSA-N 1 0 278.396 2.213 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccccc1-n1cccn1 ZINC000136342246 419445093 /nfs/dbraw/zinc/44/50/93/419445093.db2.gz BPLQGVYMXGJLSW-LBPRGKRZSA-N 1 0 272.352 2.184 10 0 CEAERO Cc1ccc(OCCN(C)C(=O)C[C@H]([NH3+])C(C)C)cc1 ZINC000136380455 419447097 /nfs/dbraw/zinc/44/70/97/419447097.db2.gz JKCPKUJGGSALSN-HNNXBMFYSA-N 1 0 278.396 2.206 10 0 CEAERO COc1ccc(N(C)C(=O)C[C@@H]([NH3+])C(C)C)cc1 ZINC000136447707 419447206 /nfs/dbraw/zinc/44/72/06/419447206.db2.gz CKZCXNYWOGQZDB-CYBMUJFWSA-N 1 0 250.342 2.031 10 0 CEAERO COCc1nc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@H]2C)cs1 ZINC000666429317 419664528 /nfs/dbraw/zinc/66/45/28/419664528.db2.gz PKVCKTHNPNILBB-VWYCJHECSA-N 1 0 270.398 2.193 10 0 CEAERO COC[C@H](C)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000103431837 292990949 /nfs/dbraw/zinc/99/09/49/292990949.db2.gz GLEPAAUERSFFTI-MCIONIFRSA-N 1 0 284.444 2.142 10 0 CEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000393025408 270341716 /nfs/dbraw/zinc/34/17/16/270341716.db2.gz TYSLKRHJZXAXQF-GHYVTOPFSA-N 1 0 250.386 2.212 10 0 CEAERO CC[C@H](COC)[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C ZINC000180519061 260104244 /nfs/dbraw/zinc/10/42/44/260104244.db2.gz FVBLYMMGABDVNI-VXGBXAGGSA-N 1 0 274.405 2.304 10 0 CEAERO Cc1noc(C[NH2+][C@H](C)CCc2ccc3c(c2)OCO3)n1 ZINC000038034491 260124646 /nfs/dbraw/zinc/12/46/46/260124646.db2.gz BNHLYVJFRRSOSB-SNVBAGLBSA-N 1 0 289.335 2.218 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1CC[NH2+]C1)c1ccc(F)cc1Cl ZINC000237357023 260683483 /nfs/dbraw/zinc/68/34/83/260683483.db2.gz WJODJWSVZFJZEJ-RKDXNWHRSA-N 1 0 270.735 2.266 10 0 CEAERO COc1c(C[NH2+]C[C@H]2CCCC2(F)F)c(C)nn1C ZINC000390696458 262242087 /nfs/dbraw/zinc/24/20/87/262242087.db2.gz RSTLFDUZSXRMII-SNVBAGLBSA-N 1 0 273.327 2.262 10 0 CEAERO CCC[C@H](C)[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000188265025 262288132 /nfs/dbraw/zinc/28/81/32/262288132.db2.gz IDWQZISUOLOWQF-AWEZNQCLSA-N 1 0 264.417 2.116 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cn2ccnc2s1 ZINC000188383590 262293556 /nfs/dbraw/zinc/29/35/56/262293556.db2.gz ZBXYMIXWQFBRSD-LLVKDONJSA-N 1 0 294.424 2.102 10 0 CEAERO CCO[C@H]1C[C@H]([NH2+]CCC2CC2)C12CCOCC2 ZINC000186415263 270249909 /nfs/dbraw/zinc/24/99/09/270249909.db2.gz CXQXKZXWVOZJNL-KBPBESRZSA-N 1 0 253.386 2.350 10 0 CEAERO CCO[C@H]1C[C@H]([NH2+]CC2CCC2)C12CCOCC2 ZINC000186282186 270249098 /nfs/dbraw/zinc/24/90/98/270249098.db2.gz SXWYFIXHVPDRLA-KBPBESRZSA-N 1 0 253.386 2.350 10 0 CEAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000392868165 270341803 /nfs/dbraw/zinc/34/18/03/270341803.db2.gz ITIUWRWUIDRYTD-NDBYEHHHSA-N 1 0 252.402 2.458 10 0 CEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000392978453 270341848 /nfs/dbraw/zinc/34/18/48/270341848.db2.gz YVRVEGIBLAKEDL-HERUPUMHSA-N 1 0 278.783 2.064 10 0 CEAERO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000392917387 270341890 /nfs/dbraw/zinc/34/18/90/270341890.db2.gz GVQFIIFTCXEMQH-NDBYEHHHSA-N 1 0 252.402 2.458 10 0 CEAERO CC(C)CCOCC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398736647 270362203 /nfs/dbraw/zinc/36/22/03/270362203.db2.gz NHWWVUGKUZLRIO-RRFJBIMHSA-N 1 0 255.402 2.142 10 0 CEAERO CC(C)[C@@H](C(=O)N[C@H](C)COCc1ccccc1)[C@H](C)[NH3+] ZINC000399593974 270371245 /nfs/dbraw/zinc/37/12/45/270371245.db2.gz RRYCRAPSFHUGGK-IJEWVQPXSA-N 1 0 292.423 2.327 10 0 CEAERO CC(C)[C@@H](C(=O)N[C@H](C)COCc1ccccc1)[C@@H](C)[NH3+] ZINC000399593972 270371314 /nfs/dbraw/zinc/37/13/14/270371314.db2.gz RRYCRAPSFHUGGK-IIAWOOMASA-N 1 0 292.423 2.327 10 0 CEAERO C[C@@H]([NH3+])CC(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000261784246 274235269 /nfs/dbraw/zinc/23/52/69/274235269.db2.gz JUMODZXTTTTWIJ-PELKAZGASA-N 1 0 297.196 2.290 10 0 CEAERO C[C@@H]1CCN(Cc2ccn(-c3ccccc3)n2)[C@@H](C[NH3+])C1 ZINC000235363143 274302906 /nfs/dbraw/zinc/30/29/06/274302906.db2.gz CLCMYWONKLISOD-RHSMWYFYSA-N 1 0 284.407 2.432 10 0 CEAERO C[C@@H]1CN(c2ccnc(C(F)(F)F)c2)[C@H](C)C[NH2+]1 ZINC000261591054 274365674 /nfs/dbraw/zinc/36/56/74/274365674.db2.gz XLDWLLOEPCEUBH-RKDXNWHRSA-N 1 0 259.275 2.287 10 0 CEAERO Cc1cc(N2CC[C@H]3[NH2+]CC[C@H]3C2)ncc1Br ZINC000261547675 274711862 /nfs/dbraw/zinc/71/18/62/274711862.db2.gz IMHSRBSSPKOCOQ-CMPLNLGQSA-N 1 0 296.212 2.341 10 0 CEAERO Cc1nc(N2CC[C@H]([NH3+])[C@@H](C)C2)ccc1Br ZINC000235687476 274842269 /nfs/dbraw/zinc/84/22/69/274842269.db2.gz NMDYJBBGCVYOST-KWQFWETISA-N 1 0 284.201 2.326 10 0 CEAERO CC(C)c1ccc(S(=O)(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000107423996 275744040 /nfs/dbraw/zinc/74/40/40/275744040.db2.gz FSNCXSWVJZTLJG-AWEZNQCLSA-N 1 0 296.436 2.135 10 0 CEAERO CC1(C)CN(c2ccc(Br)cn2)CC[C@H]1[NH3+] ZINC000261583516 275850072 /nfs/dbraw/zinc/85/00/72/275850072.db2.gz PBCUSVTYIFKJIH-SNVBAGLBSA-N 1 0 284.201 2.408 10 0 CEAERO CCC1CCC(NC(=O)[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000094647555 275966711 /nfs/dbraw/zinc/96/67/11/275966711.db2.gz KKLCZMYZXFIYAB-RYSNWHEDSA-N 1 0 252.402 2.460 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1coc(C)c1 ZINC000187950682 276182245 /nfs/dbraw/zinc/18/22/45/276182245.db2.gz ABGKMQYXBHHKER-ZDUSSCGKSA-N 1 0 250.342 2.144 10 0 CEAERO CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261670548 276218749 /nfs/dbraw/zinc/21/87/49/276218749.db2.gz GAMIKNMCRXAMQI-YIYPIFLZSA-N 1 0 282.428 2.071 10 0 CEAERO CCCc1ccc(S(=O)(=O)N2CCCC[C@@H]2C[NH3+])cc1 ZINC000044556929 276295663 /nfs/dbraw/zinc/29/56/63/276295663.db2.gz VUAKVHDUQJGMKQ-CQSZACIVSA-N 1 0 296.436 2.141 10 0 CEAERO CCOC1CC2(C1)CC[N@@H+]([C@H]1CCCC[C@H]1O)C2 ZINC000334423280 276311978 /nfs/dbraw/zinc/31/19/78/276311978.db2.gz VJGVFEBWNKNSKI-RAFNIBEQSA-N 1 0 253.386 2.181 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000170861816 276834845 /nfs/dbraw/zinc/83/48/45/276834845.db2.gz MNDLFEPNZXCQMX-GDBMZVCRSA-N 1 0 287.407 2.410 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)CCSc1ccc(C)cc1 ZINC000261713955 277038305 /nfs/dbraw/zinc/03/83/05/277038305.db2.gz KFJQTOJGYMLSOZ-LBPRGKRZSA-N 1 0 266.410 2.201 10 0 CEAERO CC(=O)N[C@@H]1CCC[N@@H+](C[C@@H]2CCC[C@@H](C)C2)C1 ZINC000245591093 277046363 /nfs/dbraw/zinc/04/63/63/277046363.db2.gz GVYYRMALNQDZTD-BPLDGKMQSA-N 1 0 252.402 2.413 10 0 CEAERO CC(=O)Nc1ccc(CN2CC[C@@H](C)C[C@@H]2C[NH3+])cc1 ZINC000235332765 277074614 /nfs/dbraw/zinc/07/46/14/277074614.db2.gz DGJYYIMAYSUUPB-MLGOLLRUSA-N 1 0 275.396 2.204 10 0 CEAERO CC(C)(C)OC[C@@H](O)C[N@@H+]1CCC2(CCCC2)C1 ZINC000174275796 277215425 /nfs/dbraw/zinc/21/54/25/277215425.db2.gz AAMVXTCKVYJRNI-ZDUSSCGKSA-N 1 0 255.402 2.429 10 0 CEAERO CN1c2ccccc2[C@@H]([NH2+]C[C@@H]2CCCOC2)CC1=O ZINC000038045123 277218067 /nfs/dbraw/zinc/21/80/67/277218067.db2.gz NXACLEVZNZXGSL-JSGCOSHPSA-N 1 0 274.364 2.110 10 0 CEAERO CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000040463734 277904486 /nfs/dbraw/zinc/90/44/86/277904486.db2.gz VMDOOLBETQBMGB-BBBLOLIVSA-N 1 0 266.307 2.207 10 0 CEAERO COc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000262162304 277947533 /nfs/dbraw/zinc/94/75/33/277947533.db2.gz JHZZNEIGAQEZIN-BZNIZROVSA-N 1 0 288.391 2.044 10 0 CEAERO C[C@@](CCc1ccc(O)cc1)([NH2+]C1CCCCC1)C(N)=O ZINC000037969741 278115258 /nfs/dbraw/zinc/11/52/58/278115258.db2.gz FFSXWKGBJRSTSZ-KRWDZBQOSA-N 1 0 290.407 2.491 10 0 CEAERO C[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)c2ccccc21 ZINC000261796846 278536905 /nfs/dbraw/zinc/53/69/05/278536905.db2.gz GUTZLFNRCMOFTE-JMSVASOKSA-N 1 0 274.364 2.033 10 0 CEAERO Cc1cc(Br)ccc1C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000261551863 278627330 /nfs/dbraw/zinc/62/73/30/278627330.db2.gz MLQQGIBFMXBEAZ-JOYOIKCWSA-N 1 0 297.196 2.319 10 0 CEAERO C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2)C[C@@H]1[NH3+] ZINC000235339918 278685057 /nfs/dbraw/zinc/68/50/57/278685057.db2.gz DZDFVZOXFJJHMM-KCJUWKMLSA-N 1 0 272.270 2.125 10 0 CEAERO CCC[C@@H](C(=O)N(C)Cc1ccc(O)cc1)[NH+](C)C ZINC000135899047 278853241 /nfs/dbraw/zinc/85/32/41/278853241.db2.gz JWPSHVUGLACQPK-AWEZNQCLSA-N 1 0 264.369 2.081 10 0 CEAERO CCC[C@@H](C(=O)NC[C@@](C)(O)C1CCCCC1)[NH+](C)C ZINC000190498149 278855873 /nfs/dbraw/zinc/85/58/73/278855873.db2.gz BLFGMYVCQSFFEJ-GOEBONIOSA-N 1 0 284.444 2.164 10 0 CEAERO CCC[C@@H](C(=O)NC[C@](C)(O)C1CCCCC1)[NH+](C)C ZINC000190498114 278856065 /nfs/dbraw/zinc/85/60/65/278856065.db2.gz BLFGMYVCQSFFEJ-HOCLYGCPSA-N 1 0 284.444 2.164 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+]C2CCC(C)CC2)C1 ZINC000263512785 279059429 /nfs/dbraw/zinc/05/94/29/279059429.db2.gz NXBDHAUTWIZZQM-UHFFFAOYSA-N 1 0 268.401 2.092 10 0 CEAERO Cc1nc(C)c([C@H](C)[NH2+][C@H]2CCC(=O)N[C@@H]2C)s1 ZINC000282311555 279079515 /nfs/dbraw/zinc/07/95/15/279079515.db2.gz NBTZGWBHDHFMFB-HDBBIHSSSA-N 1 0 267.398 2.078 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C[C@H]1CCCCO1 ZINC000087192644 279122308 /nfs/dbraw/zinc/12/23/08/279122308.db2.gz YPHIKXAMNNPSSC-ZIAGYGMSSA-N 1 0 270.417 2.038 10 0 CEAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000090224787 279135647 /nfs/dbraw/zinc/13/56/47/279135647.db2.gz AEGWANMHQPDSTR-RYUDHWBXSA-N 1 0 278.400 2.357 10 0 CEAERO Cc1sc2ncnc(N3C[C@@H](C[NH3+])C[C@H]3C)c2c1C ZINC000228082303 279288370 /nfs/dbraw/zinc/28/83/70/279288370.db2.gz NYPIHMWDPWTIOI-LDYMZIIASA-N 1 0 276.409 2.482 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](C)OCCC(C)C ZINC000176990818 279326106 /nfs/dbraw/zinc/32/61/06/279326106.db2.gz OIEVIRLCZURVCL-CABCVRRESA-N 1 0 284.444 2.380 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)N(C)C1CCCCC1 ZINC000175362426 279326896 /nfs/dbraw/zinc/32/68/96/279326896.db2.gz WZIJRKHFSRMULS-INIZCTEOSA-N 1 0 295.471 2.194 10 0 CEAERO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)[C@@H]2CCCO2)C1 ZINC000047038287 279607392 /nfs/dbraw/zinc/60/73/92/279607392.db2.gz MZHPHLJRACWAMN-KKUMJFAQSA-N 1 0 282.428 2.040 10 0 CEAERO CN(CCCOc1ccccc1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054307943 279640410 /nfs/dbraw/zinc/64/04/10/279640410.db2.gz IPZDFERIVOUQQX-HNNXBMFYSA-N 1 0 290.407 2.304 10 0 CEAERO C[C@H]1CN(C(=O)c2cc3c(s2)CCCC3)C[C@@H]1[NH3+] ZINC000235686911 279814854 /nfs/dbraw/zinc/81/48/54/279814854.db2.gz WXFWKRODDBJQBN-ONGXEEELSA-N 1 0 264.394 2.046 10 0 CEAERO CCC[C@H](C(=O)NCCc1cc(F)ccc1F)[NH+](C)C ZINC000127277439 279857674 /nfs/dbraw/zinc/85/76/74/279857674.db2.gz YDYAIKORKPOXRK-CQSZACIVSA-N 1 0 284.350 2.354 10 0 CEAERO O=C(N[C@@H]1CCCC[NH2+]C1)N1CCc2c(F)cccc2C1 ZINC000335183338 279879317 /nfs/dbraw/zinc/87/93/17/279879317.db2.gz BJCZMZILNSLCMX-CYBMUJFWSA-N 1 0 291.370 2.036 10 0 CEAERO C[C@H]1CN(c2ncccc2Br)CC[C@H]1[NH3+] ZINC000251671040 279892146 /nfs/dbraw/zinc/89/21/46/279892146.db2.gz HJIIQLKKKGZDPC-WCBMZHEXSA-N 1 0 270.174 2.018 10 0 CEAERO CC[C@H]1CCCCN1C(=O)CN(C)C[C@@H]1CCC[N@@H+]1CC ZINC000175333885 288189971 /nfs/dbraw/zinc/18/99/71/288189971.db2.gz QUNJNCRBVGJPAM-HOTGVXAUSA-N 1 0 295.471 2.194 10 0 CEAERO CC(C)[C@@H](C)NC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185455864 280124420 /nfs/dbraw/zinc/12/44/20/280124420.db2.gz ZJFWNMLDPWGUGR-CYBMUJFWSA-N 1 0 269.433 2.452 10 0 CEAERO COc1c(C[N@@H+]2CCCC[C@@H](C)C2)c(C)nn1C ZINC000187517455 280136131 /nfs/dbraw/zinc/13/61/31/280136131.db2.gz RCWBZAHBZVAWHI-LLVKDONJSA-N 1 0 251.374 2.359 10 0 CEAERO C[C@]1(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)CC[NH2+]C1 ZINC000062893405 280147839 /nfs/dbraw/zinc/14/78/39/280147839.db2.gz WXQJWQCHJDSSQU-UMNHJUIQSA-N 1 0 278.318 2.223 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CSCC(F)(F)F)C1 ZINC000245582775 280251777 /nfs/dbraw/zinc/25/17/77/280251777.db2.gz KFMJHOPPGQYFAV-NXEZZACHSA-N 1 0 298.374 2.127 10 0 CEAERO C[C@@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1F ZINC000246235503 280282322 /nfs/dbraw/zinc/28/23/22/280282322.db2.gz HUGRXOWECVQXLI-OLZOCXBDSA-N 1 0 276.355 2.236 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@@H](C)CSC ZINC000246517825 280298529 /nfs/dbraw/zinc/29/85/29/280298529.db2.gz XHTYVPCZPSTVMA-XQQFMLRXSA-N 1 0 285.457 2.006 10 0 CEAERO CC[C@H]1CN(C(=O)N[C@H](C)CC(C)C)CC[N@@H+]1CCOC ZINC000246622195 280304073 /nfs/dbraw/zinc/30/40/73/280304073.db2.gz QPYAIOLRFILOKE-CABCVRRESA-N 1 0 299.459 2.173 10 0 CEAERO Cc1cc(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)ccc1Br ZINC000261560212 280334240 /nfs/dbraw/zinc/33/42/40/280334240.db2.gz UNPQFZAWOQSWDO-BXKDBHETSA-N 1 0 297.196 2.319 10 0 CEAERO C[C@H](CO)[N@@H+](Cc1cccc2ccccc21)C[C@H](C)O ZINC000248999221 280379072 /nfs/dbraw/zinc/37/90/72/280379072.db2.gz YNUVXKNJJDWUBY-KGLIPLIRSA-N 1 0 273.376 2.403 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CCC[C@@H]2C)C1 ZINC000249006927 280379498 /nfs/dbraw/zinc/37/94/98/280379498.db2.gz OAXLWSVZUJTBER-MJBXVCDLSA-N 1 0 252.402 2.413 10 0 CEAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CC[C@H]3CCCO3)C2)n1 ZINC000249439304 280397396 /nfs/dbraw/zinc/39/73/96/280397396.db2.gz SQWKSMFUYBGUAC-HZPDHXFCSA-N 1 0 292.427 2.176 10 0 CEAERO COc1ccc([C@H](C)N[C@@H]2CCC[NH2+][C@H]2C)c(OC)c1 ZINC000396586138 280674721 /nfs/dbraw/zinc/67/47/21/280674721.db2.gz VBQSROAPZGINTP-SLEUVZQESA-N 1 0 278.396 2.495 10 0 CEAERO Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CN(C)CCO1)CCC2 ZINC000180492689 281119276 /nfs/dbraw/zinc/11/92/76/281119276.db2.gz FDPURTWQQLTFMM-NVXWUHKLSA-N 1 0 274.408 2.293 10 0 CEAERO Cc1ccc2oc(C(=O)N3CC[C@H]([NH3+])[C@H]3C)cc2c1 ZINC000261602080 281177432 /nfs/dbraw/zinc/17/74/32/281177432.db2.gz QHKFDFLJJRFZKK-PWSUYJOCSA-N 1 0 258.321 2.303 10 0 CEAERO Cc1ccc2oc(C(=O)N3C[C@H]4CCC[N@H+]4C[C@@H]3C)cc2n1 ZINC000172059006 281179391 /nfs/dbraw/zinc/17/93/91/281179391.db2.gz IKUVAEZRWFXESV-QWHCGFSZSA-N 1 0 299.374 2.445 10 0 CEAERO Cc1cccc(C)c1OCCN1CCCC[C@@H]1C[NH3+] ZINC000262053020 281212658 /nfs/dbraw/zinc/21/26/58/281212658.db2.gz ILHKSJSIVDJRSY-OAHLLOKOSA-N 1 0 262.397 2.495 10 0 CEAERO Cc1cccc(C[C@H]([NH2+]C[C@@H]2CN(C)CCO2)C2CC2)c1 ZINC000180500946 281219755 /nfs/dbraw/zinc/21/97/55/281219755.db2.gz YGKILQYTIPKJBR-MSOLQXFVSA-N 1 0 288.435 2.236 10 0 CEAERO CC[C@](C)(NC(=O)[C@H]1CC[C@@H]([NH3+])C1)c1nccs1 ZINC000246524920 281287182 /nfs/dbraw/zinc/28/71/82/281287182.db2.gz ROFBBUKLSWTCIN-CWSCBRNRSA-N 1 0 267.398 2.012 10 0 CEAERO C[C@@H]1COCC[C@@H]1[NH2+][C@@H](CCO)C1CCCCC1 ZINC000195063813 288362562 /nfs/dbraw/zinc/36/25/62/288362562.db2.gz DJZZTZUZENGHDD-SNPRPXQTSA-N 1 0 255.402 2.332 10 0 CEAERO COc1cccc(OCCN2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000153697508 289119843 /nfs/dbraw/zinc/11/98/43/289119843.db2.gz ARJYIQCLXHUSPU-HUUCEWRRSA-N 1 0 290.407 2.243 10 0 CEAERO Fc1ccc(Cl)c(CN2CC[C@H]3OCC[NH2+][C@H]3C2)c1 ZINC000404280003 289292286 /nfs/dbraw/zinc/29/22/86/289292286.db2.gz VBPWEHKDRAGOEC-UONOGXRCSA-N 1 0 284.762 2.042 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)c2ccccc2)C1 ZINC000082285873 289311103 /nfs/dbraw/zinc/31/11/03/289311103.db2.gz HGCFBRWBSGDFQI-CQSZACIVSA-N 1 0 260.381 2.127 10 0 CEAERO C[C@H](C[C@@H]1COCCN1)[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000252952305 289732249 /nfs/dbraw/zinc/73/22/49/289732249.db2.gz FRHULJJSKDUWIR-MROQNXINSA-N 1 0 294.361 2.464 10 0 CEAERO 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CEAERO C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC000335836109 300115840 /nfs/dbraw/zinc/11/58/40/300115840.db2.gz MAQMBLYIVGPMLZ-STQMWFEESA-N 1 0 250.386 2.119 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CSC(C)(C)C ZINC000247253023 300318641 /nfs/dbraw/zinc/31/86/41/300318641.db2.gz NQSLEYGLFSFFJM-RYUDHWBXSA-N 1 0 270.442 2.213 10 0 CEAERO C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000262907631 300819079 /nfs/dbraw/zinc/81/90/79/300819079.db2.gz FGNZCCLYNRPMAP-HOSILWTGSA-N 1 0 280.412 2.064 10 0 CEAERO Cc1cccc2c1OCCC[C@@H]2[NH2+]CCCS(C)(=O)=O ZINC000038047732 302060326 /nfs/dbraw/zinc/06/03/26/302060326.db2.gz JQXCEVIYLAYTSH-AWEZNQCLSA-N 1 0 297.420 2.233 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@@]1(C[NH3+])C(F)(F)F ZINC000259289803 330381918 /nfs/dbraw/zinc/38/19/18/330381918.db2.gz VMUITAFSDWVMHR-SNVBAGLBSA-N 1 0 268.279 2.277 10 0 CEAERO CCN(C(=O)OCc1ccccc1)[C@@H](C)C1=[NH+]CCN1 ZINC000536959604 330384028 /nfs/dbraw/zinc/38/40/28/330384028.db2.gz OSHCJQPZVODNON-LBPRGKRZSA-N 1 0 275.352 2.035 10 0 CEAERO CC(C)(C)[NH2+]Cc1cc2c(cc1OCCCO)OCO2 ZINC000062733906 518764526 /nfs/dbraw/zinc/76/45/26/518764526.db2.gz ZYFQLMHXWDTTKT-UHFFFAOYSA-N 1 0 281.352 2.065 10 0 CEAERO CC(C)C[NH+]1CCN(c2ccc(Cl)c(CO)n2)CC1 ZINC000055080520 519728588 /nfs/dbraw/zinc/72/85/88/519728588.db2.gz KWADSTFVVVRWNI-UHFFFAOYSA-N 1 0 283.803 2.005 10 0 CEAERO CC(C)[NH2+][C@](C)(C[C@H](C)Oc1ccccc1F)C(N)=O ZINC000068655866 519740103 /nfs/dbraw/zinc/74/01/03/519740103.db2.gz FOXXLFDRVGCZKX-XHDPSFHLSA-N 1 0 282.359 2.225 10 0 CEAERO CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1nccs1 ZINC000054629053 519911206 /nfs/dbraw/zinc/91/12/06/519911206.db2.gz OXMMMOXFAFJAMW-YOGCLGLASA-N 1 0 251.399 2.248 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)NCc1ccc(F)c(Cl)c1 ZINC000061268361 519936514 /nfs/dbraw/zinc/93/65/14/519936514.db2.gz DZYCYBWGLXIPKZ-SECBINFHSA-N 1 0 272.751 2.341 10 0 CEAERO CC[NH2+]Cc1ccc(N2CCSC[C@@H]2C)nc1 ZINC000070221634 519997765 /nfs/dbraw/zinc/99/77/65/519997765.db2.gz KYDUCYJYACAFNQ-NSHDSACASA-N 1 0 251.399 2.133 10 0 CEAERO CC[NH2+]Cc1ccnc(Cc2ccc(OC)cc2)n1 ZINC000054791231 520011545 /nfs/dbraw/zinc/01/15/45/520011545.db2.gz KZADZLPBWDJCQG-UHFFFAOYSA-N 1 0 257.337 2.186 10 0 CEAERO CC[NH2+]Cc1nc(CN2C[C@@H](C)OC[C@@H]2CC)cs1 ZINC000052570706 520019649 /nfs/dbraw/zinc/01/96/49/520019649.db2.gz IVQWOULMQXVSTJ-YPMHNXCESA-N 1 0 283.441 2.252 10 0 CEAERO CCCCC[N@H+](C)CC[C@H](NCC)C(=O)OCC ZINC000062447440 520149799 /nfs/dbraw/zinc/14/97/99/520149799.db2.gz BUWGIWZYADLSCK-ZDUSSCGKSA-N 1 0 258.406 2.040 10 0 CEAERO CCN[C@@](C[NH+]1[C@@H](C)CCC[C@@H]1C)(C(=O)OC)C1CC1 ZINC000069096232 520154965 /nfs/dbraw/zinc/15/49/65/520154965.db2.gz YRUOSVJTKGBPGV-HEHGZKQESA-N 1 0 282.428 2.181 10 0 CEAERO CC[NH2+][C@H](C)c1ccccc1OCCC(=O)OC ZINC000069317080 520181798 /nfs/dbraw/zinc/18/17/98/520181798.db2.gz BGZJDMNBJYLMRA-LLVKDONJSA-N 1 0 251.326 2.299 10 0 CEAERO CC[NH2+][C@H](CCSCc1ccccc1C)C(N)=O ZINC000062603876 520194855 /nfs/dbraw/zinc/19/48/55/520194855.db2.gz XTNVORWGBYCLAQ-CYBMUJFWSA-N 1 0 266.410 2.082 10 0 CEAERO CCN[C@](C)(CCC[N@H+](C)C(C)(C)CC)C(=O)OC ZINC000069443290 520227971 /nfs/dbraw/zinc/22/79/71/520227971.db2.gz FOPLDPHURYUFKN-OAHLLOKOSA-N 1 0 272.433 2.428 10 0 CEAERO CC[NH2+][C@](C)(CCCOc1cc(C)cc(C)c1)C(N)=O ZINC000045516245 520229689 /nfs/dbraw/zinc/22/96/89/520229689.db2.gz WWGHJYMIELSLRT-MRXNPFEDSA-N 1 0 278.396 2.316 10 0 CEAERO CC[NH2+][C@](C)(C[C@@H](C)Sc1ccc(OC)cc1)C(N)=O ZINC000068635820 520238578 /nfs/dbraw/zinc/23/85/78/520238578.db2.gz QGSHQZPNZRQSSD-IAQYHMDHSA-N 1 0 296.436 2.419 10 0 CEAERO CC1(C)CCCN1C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000063071995 520332928 /nfs/dbraw/zinc/33/29/28/520332928.db2.gz VUANLHOLIDGXIF-AVGNSLFASA-N 1 0 250.386 2.308 10 0 CEAERO CCC[C@@H]1CN(CCOC)[C@H](c2ccccc2)C[NH2+]1 ZINC000068701344 520838919 /nfs/dbraw/zinc/83/89/19/520838919.db2.gz UFNUXKXMHAQISO-CVEARBPZSA-N 1 0 262.397 2.448 10 0 CEAERO CCCC[C@@H](C)NS(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000050890210 521009404 /nfs/dbraw/zinc/00/94/04/521009404.db2.gz XIWHLVAGSZPRGP-SNVBAGLBSA-N 1 0 290.454 2.106 10 0 CEAERO CCC[C@H](C)NC(=O)Cn1ccnc1C[NH2+]C(C)(C)C ZINC000051015320 521047382 /nfs/dbraw/zinc/04/73/82/521047382.db2.gz PTPQKEJYKVWUCJ-LBPRGKRZSA-N 1 0 280.416 2.076 10 0 CEAERO CCOC(=O)[C@@H](CC[N@H+](CC(C)C)C1CC1)NC1CC1 ZINC000062461120 521057426 /nfs/dbraw/zinc/05/74/26/521057426.db2.gz WSGMKKJYOMVFPA-OAHLLOKOSA-N 1 0 282.428 2.181 10 0 CEAERO CC[N@H+](CCO)Cc1cc2ccccc2nc1NC ZINC000050814536 521122065 /nfs/dbraw/zinc/12/20/65/521122065.db2.gz MHNABZDTAZNFHL-UHFFFAOYSA-N 1 0 259.353 2.091 10 0 CEAERO CCOC(=O)[C@H](CC[N@H+](C)C1CCCCC1)NC1CC1 ZINC000062442880 521241036 /nfs/dbraw/zinc/24/10/36/521241036.db2.gz UPTXTIOPHRZAII-HNNXBMFYSA-N 1 0 282.428 2.325 10 0 CEAERO CCOC(=O)[C@H](C[N@@H+]1CCC[C@H](C)[C@@H]1C)NC(C)C ZINC000050567401 521249828 /nfs/dbraw/zinc/24/98/28/521249828.db2.gz VETXMUBDJFBMQD-IHRRRGAJSA-N 1 0 270.417 2.037 10 0 CEAERO CCCc1nc(N2CCOCC2)sc1C[NH2+]C(C)C ZINC000054995172 521532495 /nfs/dbraw/zinc/53/24/95/521532495.db2.gz QHWAZNURACPXDT-UHFFFAOYSA-N 1 0 283.441 2.430 10 0 CEAERO CCc1ccccc1[C@H](C[NH3+])N1CCOC(C)(C)C1 ZINC000052203573 521953940 /nfs/dbraw/zinc/95/39/40/521953940.db2.gz SRTKFRNPSXSSHP-HNNXBMFYSA-N 1 0 262.397 2.360 10 0 CEAERO CC[C@@H](C)[NH+]1CCN([C@@H]2CCCCCC2=O)CC1 ZINC000055064222 522128033 /nfs/dbraw/zinc/12/80/33/522128033.db2.gz SCPDHZBACWRRQR-ZIAGYGMSSA-N 1 0 252.402 2.304 10 0 CEAERO C[NH2+][C@@H](Cc1cc(F)cc(F)c1)c1ccnn1C ZINC000069467613 522360563 /nfs/dbraw/zinc/36/05/63/522360563.db2.gz VKKTXRMFHWVXKK-LBPRGKRZSA-N 1 0 251.280 2.202 10 0 CEAERO CC[NH2+][C@H](CO)CCN1c2ccccc2CC[C@@H]1C ZINC000085215622 535515831 /nfs/dbraw/zinc/51/58/31/535515831.db2.gz FXXLTEYZFJADPQ-ZFWWWQNUSA-N 1 0 262.397 2.188 10 0 CEAERO C[NH2+][C@](CSc1ccccc1Cl)(C(N)=O)C1CC1 ZINC000069186547 522532660 /nfs/dbraw/zinc/53/26/60/522532660.db2.gz SEZGRGBQZSSKPQ-ZDUSSCGKSA-N 1 0 284.812 2.286 10 0 CEAERO CCc1nccn1C[C@@H]1CC[C@H](C[NH2+]CC(C)C)O1 ZINC000052593192 522588171 /nfs/dbraw/zinc/58/81/71/522588171.db2.gz VFVPOTQAQGWSKI-KGLIPLIRSA-N 1 0 265.401 2.239 10 0 CEAERO COc1cc(F)cc(C[NH2+][C@H]2CCCC[C@@H]2CO)c1 ZINC000312262976 534008885 /nfs/dbraw/zinc/00/88/85/534008885.db2.gz BCIDBBOCBVCJRU-DOMZBBRYSA-N 1 0 267.344 2.475 10 0 CEAERO CCCCS(=O)(=O)[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CC ZINC000081973571 517568861 /nfs/dbraw/zinc/56/88/61/517568861.db2.gz ZDXMFMSRGWOHKZ-FRRDWIJNSA-N 1 0 261.431 2.368 10 0 CEAERO CCOC(=O)C[C@]1([NH+](C)C)CCc2ccccc2C1 ZINC000080690527 517679786 /nfs/dbraw/zinc/67/97/86/517679786.db2.gz OARPUHLMQRVART-INIZCTEOSA-N 1 0 261.365 2.429 10 0 CEAERO CCOCCCC[NH2+]CCN1CCOc2ccccc2C1 ZINC000063013894 517702880 /nfs/dbraw/zinc/70/28/80/517702880.db2.gz QTIZMSQMTHBWKF-UHFFFAOYSA-N 1 0 292.423 2.287 10 0 CEAERO CC(=O)c1ccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000062984090 518370170 /nfs/dbraw/zinc/37/01/70/518370170.db2.gz YMYKFQHJSRYKID-CQSZACIVSA-N 1 0 275.352 2.057 10 0 CEAERO CC(C)(C)[NH2+]Cc1cnc(Cc2cccnc2)nc1 ZINC000054856492 518768045 /nfs/dbraw/zinc/76/80/45/518768045.db2.gz SSBIRSRTTBVAFO-UHFFFAOYSA-N 1 0 256.353 2.351 10 0 CEAERO CC(C)(C)[C@@H]1CN(CCOc2ccccc2)CC[NH2+]1 ZINC000068692735 518945593 /nfs/dbraw/zinc/94/55/93/518945593.db2.gz FCEBGKAPQJMXNW-HNNXBMFYSA-N 1 0 262.397 2.385 10 0 CEAERO CC(C)(C)c1ccc(OCC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000061708660 519039763 /nfs/dbraw/zinc/03/97/63/519039763.db2.gz XIIFFOSRNJTWCW-AWEZNQCLSA-N 1 0 263.381 2.430 10 0 CEAERO CC(C)(C)c1cccc(OCC[C@@H]([NH2+]C2CC2)C(N)=O)c1 ZINC000062594664 519056082 /nfs/dbraw/zinc/05/60/82/519056082.db2.gz XFDCCIRZXVDVLH-OAHLLOKOSA-N 1 0 290.407 2.359 10 0 CEAERO CC(C)C[C@@H](C[NH2+][C@H]1CCOC(C)(C)C1)N1CCOCC1 ZINC000070346794 519211608 /nfs/dbraw/zinc/21/16/08/519211608.db2.gz SHLVSEPWMJBHJK-HOTGVXAUSA-N 1 0 298.471 2.281 10 0 CEAERO CC(C)C[C@@H]([NH3+])C(=O)Nc1ccccc1[C@@H](C)O ZINC000049547307 519226440 /nfs/dbraw/zinc/22/64/40/519226440.db2.gz PXKMUQFZQUUPNF-ZYHUDNBSSA-N 1 0 250.342 2.052 10 0 CEAERO CC(C)C(=O)N1CC[N@H+](CCc2ccccc2)[C@H](C)C1 ZINC000062691016 519473126 /nfs/dbraw/zinc/47/31/26/519473126.db2.gz JORFKERDVGQDIW-OAHLLOKOSA-N 1 0 274.408 2.418 10 0 CEAERO CC(C)CCC[C@@H](C)NS(=O)(=O)C[C@H]1CCC[NH2+]C1 ZINC000049645557 519645707 /nfs/dbraw/zinc/64/57/07/519645707.db2.gz NAPMKXZWJGJQGX-KGLIPLIRSA-N 1 0 290.473 2.120 10 0 CEAERO CC(C)[N@H+](Cc1cnn(C)c1)Cc1ccccc1N ZINC000050540178 519663041 /nfs/dbraw/zinc/66/30/41/519663041.db2.gz MNDFLAVYXDAOQS-UHFFFAOYSA-N 1 0 258.369 2.413 10 0 CEAERO CC(C)CC[C@@H](C[NH2+]C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000052951529 519682960 /nfs/dbraw/zinc/68/29/60/519682960.db2.gz PYGYEVCQBGRFMU-STQMWFEESA-N 1 0 273.442 2.226 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CCc2ccoc2)C1 ZINC000155497105 519690931 /nfs/dbraw/zinc/69/09/31/519690931.db2.gz IJVXVUHOWPLVRI-OCCSQVGLSA-N 1 0 264.369 2.057 10 0 CEAERO CC(C)[NH2+]CCCN1C(=O)C(=O)c2c1c(F)ccc2Cl ZINC000048785414 519720573 /nfs/dbraw/zinc/72/05/73/519720573.db2.gz GBDHEBMPVIMYNX-UHFFFAOYSA-N 1 0 298.745 2.397 10 0 CEAERO CC(C)[NH2+]C[C@@H](C)Cn1cc(Br)cn1 ZINC000052577688 519722975 /nfs/dbraw/zinc/72/29/75/519722975.db2.gz XTOQXJKODXAEEB-SECBINFHSA-N 1 0 260.179 2.280 10 0 CEAERO CC(C)[NH2+]C[C@H]1CCCN(Cc2nnsc2Cl)C1 ZINC000063139232 519725040 /nfs/dbraw/zinc/72/50/40/519725040.db2.gz FYJDISVELCUNLR-SNVBAGLBSA-N 1 0 288.848 2.402 10 0 CEAERO CC(C)[NH2+]Cc1ccc(OC[C@@H](O)C(F)(F)F)cc1 ZINC000068875921 519727386 /nfs/dbraw/zinc/72/73/86/519727386.db2.gz MYOGKGLYQAQTSX-GFCCVEGCSA-N 1 0 277.286 2.487 10 0 CEAERO CC(C)[NH2+]Cc1coc(CN2CCOCC2(C)C)c1 ZINC000052546148 519729321 /nfs/dbraw/zinc/72/93/21/519729321.db2.gz SLROSLHKPHCFMA-UHFFFAOYSA-N 1 0 266.385 2.388 10 0 CEAERO CC(C)[NH2+][C@@H](CCOc1ccc2ccccc2c1)C(N)=O ZINC000062550786 519734554 /nfs/dbraw/zinc/73/45/54/519734554.db2.gz MMVZVDAHADDGBC-INIZCTEOSA-N 1 0 286.375 2.461 10 0 CEAERO CC(C)CNC(=O)[C@H](C)Oc1cc(F)ccc1[C@@H](C)[NH3+] ZINC000062745667 519740579 /nfs/dbraw/zinc/74/05/79/519740579.db2.gz LOZQZUUVRNEGDZ-MNOVXSKESA-N 1 0 282.359 2.385 10 0 CEAERO CC(C)CNC(=O)[C@H](C)Oc1cccc2c1CC[C@H]2[NH3+] ZINC000062798665 519740813 /nfs/dbraw/zinc/74/08/13/519740813.db2.gz XVOHMZVGCZICNA-SMDDNHRTSA-N 1 0 276.380 2.172 10 0 CEAERO CC(C)C[NH2+]Cc1ccccc1O[C@H]1CCOC1=O ZINC000062729444 519747870 /nfs/dbraw/zinc/74/78/70/519747870.db2.gz SBUHTORXZPHHJR-AWEZNQCLSA-N 1 0 263.337 2.127 10 0 CEAERO CC(C)C[NH2+]Cc1ccccc1O[C@H](C)C(=O)N(C)C ZINC000062729391 519748069 /nfs/dbraw/zinc/74/80/69/519748069.db2.gz ULLZLVUGOVDMHE-CYBMUJFWSA-N 1 0 278.396 2.288 10 0 CEAERO CC(C)C[C@@H](C[NH+](C)C)Nc1ccc(S(C)(=O)=O)cc1 ZINC000049558109 519776198 /nfs/dbraw/zinc/77/61/98/519776198.db2.gz GTILRRQTOXCQJK-AWEZNQCLSA-N 1 0 298.452 2.478 10 0 CEAERO CC(C)Oc1cccc(-c2nc(C[C@H](C)[NH3+])no2)c1 ZINC000061667138 519782204 /nfs/dbraw/zinc/78/22/04/519782204.db2.gz LYWNUWAIPOHKDE-JTQLQIEISA-N 1 0 261.325 2.414 10 0 CEAERO CC(C)Oc1cccc(C(=O)NC2CCC([NH3+])CC2)c1 ZINC000061666005 519782399 /nfs/dbraw/zinc/78/23/99/519782399.db2.gz SVTFWNCDOIRJKX-UHFFFAOYSA-N 1 0 276.380 2.474 10 0 CEAERO CC(C)Oc1ccccc1CC(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000157672530 519784115 /nfs/dbraw/zinc/78/41/15/519784115.db2.gz DKQPOPVULLZSCV-CABCVRRESA-N 1 0 290.407 2.260 10 0 CEAERO CC(C)[C@@H](CN(C)C)[NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000049197181 519793888 /nfs/dbraw/zinc/79/38/88/519793888.db2.gz YIFQMYANFDIFES-XHDPSFHLSA-N 1 0 290.411 2.093 10 0 CEAERO CC(C)[C@@H](NC(=O)[C@]1(C)CC[NH2+]C1)c1ccccc1 ZINC000062892237 519798179 /nfs/dbraw/zinc/79/81/79/519798179.db2.gz HANLVGXTVFORJC-GDBMZVCRSA-N 1 0 260.381 2.500 10 0 CEAERO CC(C)[C@@H]1CCC(=O)[C@H](C[N@@H+]2CCCN(C)CC2)C1 ZINC000054558921 519801881 /nfs/dbraw/zinc/80/18/81/519801881.db2.gz HWOLBIPKWAHBQD-CABCVRRESA-N 1 0 266.429 2.265 10 0 CEAERO CC(C)[C@@H]1CN[C@@H](C(C)C)C[N@@H+]1CC1CCOCC1 ZINC000068702894 519804772 /nfs/dbraw/zinc/80/47/72/519804772.db2.gz JKMSWWOFELBSGR-CVEARBPZSA-N 1 0 268.445 2.367 10 0 CEAERO CC(C)[C@H](C)NC(=O)COc1cc(F)ccc1[C@H](C)[NH3+] ZINC000062745099 519812514 /nfs/dbraw/zinc/81/25/14/519812514.db2.gz PNBNMNGBDNNTRY-QWRGUYRKSA-N 1 0 282.359 2.385 10 0 CEAERO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cc(Cl)ccc1N ZINC000049191873 519814191 /nfs/dbraw/zinc/81/41/91/519814191.db2.gz WSAZRYQYSAMZMN-ZDUSSCGKSA-N 1 0 283.803 2.238 10 0 CEAERO CC(C)[C@H](CN(C)C)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000049197976 519814418 /nfs/dbraw/zinc/81/44/18/519814418.db2.gz BWWCPSPXMCIHLG-INIZCTEOSA-N 1 0 290.455 2.226 10 0 CEAERO CC(C)[C@H](CN(C)C)[NH2+]C[C@@H](O)c1ccc(F)c(F)c1 ZINC000049204723 519814467 /nfs/dbraw/zinc/81/44/67/519814467.db2.gz RKDBAZXVKHUWKE-LSDHHAIUSA-N 1 0 286.366 2.174 10 0 CEAERO CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000183055689 519817398 /nfs/dbraw/zinc/81/73/98/519817398.db2.gz LKUPFYQXLJEXPJ-OCCSQVGLSA-N 1 0 295.814 2.018 10 0 CEAERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000164011692 519825716 /nfs/dbraw/zinc/82/57/16/519825716.db2.gz CAFAAIVDQROKKW-AYRXBEOTSA-N 1 0 266.429 2.419 10 0 CEAERO CC(C)c1ccc(NS(=O)(=O)C2CC[NH2+]CC2)cc1 ZINC000049641037 519837902 /nfs/dbraw/zinc/83/79/02/519837902.db2.gz UAKAOKYQAHPIII-UHFFFAOYSA-N 1 0 282.409 2.304 10 0 CEAERO CCC1(c2nc(Cc3ccccn3)no2)CC[NH2+]CC1 ZINC000062845601 519848111 /nfs/dbraw/zinc/84/81/11/519848111.db2.gz OMZCFRPGGYLXNB-UHFFFAOYSA-N 1 0 272.352 2.087 10 0 CEAERO CCC[NH+]1CCN(C(=O)c2cc(C)ccc2NC)CC1 ZINC000053000004 519856871 /nfs/dbraw/zinc/85/68/71/519856871.db2.gz MYEQOWSCAAGNDS-UHFFFAOYSA-N 1 0 275.396 2.205 10 0 CEAERO CCC1CCN([C@H](C)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000053498184 519859494 /nfs/dbraw/zinc/85/94/94/519859494.db2.gz FSEPAXWCXWRLSI-HIFRSBDPSA-N 1 0 254.418 2.266 10 0 CEAERO CC(C)c1nccn1Cc1[nH+]c(NN)ccc1Cl ZINC000061639292 519880494 /nfs/dbraw/zinc/88/04/94/519880494.db2.gz GQSWKLGPERYWDV-UHFFFAOYSA-N 1 0 265.748 2.389 10 0 CEAERO CCCC1CCN(C(=O)[C@]2(C)CCC[NH2+]C2)CC1 ZINC000062860816 519900367 /nfs/dbraw/zinc/90/03/67/519900367.db2.gz TWPTVJDFWOQRAP-OAHLLOKOSA-N 1 0 252.402 2.415 10 0 CEAERO CCCC1CCN(C(=O)[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000050906486 519900500 /nfs/dbraw/zinc/90/05/00/519900500.db2.gz BHQSREBYNUKWDB-GXTWGEPZSA-N 1 0 252.402 2.413 10 0 CEAERO CCCC1CC[NH+](C[C@@](C)(NC(C)C)C(=O)OC)CC1 ZINC000050905675 519901684 /nfs/dbraw/zinc/90/16/84/519901684.db2.gz VUOCNSYGWSYDNL-MRXNPFEDSA-N 1 0 284.444 2.428 10 0 CEAERO CCCNC(=O)c1ccccc1NC(=O)C[C@H](C)[NH2+]CC ZINC000061269180 519904955 /nfs/dbraw/zinc/90/49/55/519904955.db2.gz VLJPRYMGKNUUKJ-LBPRGKRZSA-N 1 0 291.395 2.153 10 0 CEAERO CCC[NH2+]C1(C(=O)OC)C2CC3CC(C2)CC1C3 ZINC000055026631 519907014 /nfs/dbraw/zinc/90/70/14/519907014.db2.gz JNGGARPICVLVEX-UHFFFAOYSA-N 1 0 251.370 2.354 10 0 CEAERO CCC[NH2+]CC1CCN(c2ncccc2F)CC1 ZINC000054701269 519912310 /nfs/dbraw/zinc/91/23/10/519912310.db2.gz DHUQRIXVVBMAEA-UHFFFAOYSA-N 1 0 251.349 2.437 10 0 CEAERO CC[NH2+]CCC(=O)N(CC)[C@@H](C)c1cccc(O)c1 ZINC000061296728 519915151 /nfs/dbraw/zinc/91/51/51/519915151.db2.gz OUFLDKOQBXRSGN-LBPRGKRZSA-N 1 0 264.369 2.301 10 0 CEAERO CC[NH2+]CCC(=O)N(Cc1cccc(C)c1)C1CC1 ZINC000061294905 519915619 /nfs/dbraw/zinc/91/56/19/519915619.db2.gz KKYHLMYVGFURBV-UHFFFAOYSA-N 1 0 260.381 2.486 10 0 CEAERO CC[NH2+]CCC(=O)N[C@@H](C)Cc1cccc(Cl)c1 ZINC000061291530 519916892 /nfs/dbraw/zinc/91/68/92/519916892.db2.gz UPGRDISGYTTXSD-NSHDSACASA-N 1 0 268.788 2.387 10 0 CEAERO CC[NH2+]CCC(=O)Nc1cccc(Cl)c1-n1ccnc1 ZINC000061290356 519918591 /nfs/dbraw/zinc/91/85/91/519918591.db2.gz QMGWUPFQAJAEPB-UHFFFAOYSA-N 1 0 292.770 2.464 10 0 CEAERO CCC[NH2+]CCc1nnc(-c2ccc(C)nc2C)o1 ZINC000055331772 519919566 /nfs/dbraw/zinc/91/95/66/519919566.db2.gz LBOXZFPYNHHWLV-UHFFFAOYSA-N 1 0 260.341 2.291 10 0 CEAERO CC(C)n1c(S[C@H](c2cccs2)[C@H](C)[NH3+])n[nH]c1=O ZINC000061595136 519923413 /nfs/dbraw/zinc/92/34/13/519923413.db2.gz LKXDOWGAXBNKRZ-WPRPVWTQSA-N 1 0 298.437 2.394 10 0 CEAERO CCC[NH2+]C[C@@H]1OCCN(C)[C@@H]1c1ccc(F)cc1 ZINC000070285715 519926344 /nfs/dbraw/zinc/92/63/44/519926344.db2.gz PZRDCVYFSSQFSO-LSDHHAIUSA-N 1 0 266.360 2.197 10 0 CEAERO CC[NH2+]CCc1c(C)nc(Cc2cccnc2)nc1C ZINC000054838168 519928584 /nfs/dbraw/zinc/92/85/84/519928584.db2.gz OHBVOGXVRYXXGE-UHFFFAOYSA-N 1 0 270.380 2.231 10 0 CEAERO CC[NH2+]CCc1nnc(-c2ccc(F)c(F)c2)o1 ZINC000050619737 519930083 /nfs/dbraw/zinc/93/00/83/519930083.db2.gz LLSNYSZZMGIAJS-UHFFFAOYSA-N 1 0 253.252 2.167 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccc(C(=O)NC(C)C)cc1 ZINC000061234834 519939966 /nfs/dbraw/zinc/93/99/66/519939966.db2.gz HSOVHPNXHRUXRG-GFCCVEGCSA-N 1 0 291.395 2.009 10 0 CEAERO CC[NH2+]C[C@@H](CCS(C)(=O)=O)Cc1ccc(F)cc1 ZINC000052974912 519946414 /nfs/dbraw/zinc/94/64/14/519946414.db2.gz QHZBJUKSDVCDCD-ZDUSSCGKSA-N 1 0 287.400 2.029 10 0 CEAERO CCC[NH2+]Cc1ccc(N(C)CCCOC)nc1 ZINC000062035872 519950782 /nfs/dbraw/zinc/95/07/82/519950782.db2.gz LJBLEKPJFCYUFW-UHFFFAOYSA-N 1 0 251.374 2.054 10 0 CEAERO CCC[NH2+]Cc1ccc(OC[C@H](O)C(F)(F)F)cc1 ZINC000068875907 519951926 /nfs/dbraw/zinc/95/19/26/519951926.db2.gz OQRJJWOLPAJADD-LBPRGKRZSA-N 1 0 277.286 2.488 10 0 CEAERO CC[NH2+]C[C@@]1(CCS(C)(=O)=O)CCCc2ccccc21 ZINC000054662498 519958003 /nfs/dbraw/zinc/95/80/03/519958003.db2.gz TYSUBWHGHVGRFV-INIZCTEOSA-N 1 0 295.448 2.305 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N(C)Cc1ccc(OC)c(F)c1 ZINC000061234458 519958826 /nfs/dbraw/zinc/95/88/26/519958826.db2.gz BFFRUGGSMRDXLD-NSHDSACASA-N 1 0 282.359 2.038 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)NCCCn1ccc2ccccc21 ZINC000061267171 519962239 /nfs/dbraw/zinc/96/22/39/519962239.db2.gz ARWULXYVYZBNEU-AWEZNQCLSA-N 1 0 287.407 2.393 10 0 CEAERO CCC[NH2+]Cc1cnc(N2CCOC(C)(C)C2)s1 ZINC000054904510 519962550 /nfs/dbraw/zinc/96/25/50/519962550.db2.gz XLPPBGLJAQCPPV-UHFFFAOYSA-N 1 0 269.414 2.258 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccc(-c2nnco2)cc1C ZINC000061234079 519966426 /nfs/dbraw/zinc/96/64/26/519966426.db2.gz MGTNLSFYOKTSSI-NSHDSACASA-N 1 0 288.351 2.229 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 ZINC000061230755 519966997 /nfs/dbraw/zinc/96/69/97/519966997.db2.gz NOYYPSHVRXSJNL-VIFPVBQESA-N 1 0 298.770 2.311 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1cnc2ccccc2c1 ZINC000061231727 519969924 /nfs/dbraw/zinc/96/99/24/519969924.db2.gz JYELUHGCTZSCLY-NSHDSACASA-N 1 0 257.337 2.419 10 0 CEAERO CC[NH2+]C[C@H](CC)OCc1ccc2c(c1)OCO2 ZINC000052624941 519971690 /nfs/dbraw/zinc/97/16/90/519971690.db2.gz LFRXREVYIZUFIG-LBPRGKRZSA-N 1 0 251.326 2.320 10 0 CEAERO CCC[NH2+]Cc1sc(N2CCN(C3CC3)CC2)nc1C ZINC000055002239 519974503 /nfs/dbraw/zinc/97/45/03/519974503.db2.gz NOMHZQJQBPDNNC-UHFFFAOYSA-N 1 0 294.468 2.236 10 0 CEAERO CC[NH2+]C[C@H](c1ccccc1)N1CCOCC1(C)C ZINC000052546221 519975873 /nfs/dbraw/zinc/97/58/73/519975873.db2.gz NFUPFYROYQZPAM-OAHLLOKOSA-N 1 0 262.397 2.448 10 0 CEAERO CC[NH2+]C[C@H]1CC[C@@H](CN(C)c2ccc(F)cc2)O1 ZINC000052540543 519977074 /nfs/dbraw/zinc/97/70/74/519977074.db2.gz BUANLLFBHYKHIT-CABCVRRESA-N 1 0 266.360 2.419 10 0 CEAERO CC[NH2+]Cc1cc(C)nc(COc2ccccc2)n1 ZINC000054831239 519988623 /nfs/dbraw/zinc/98/86/23/519988623.db2.gz YIXCCVOOBMSVER-UHFFFAOYSA-N 1 0 257.337 2.474 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccc(F)cc1O[C@@H](C)C(=O)NC ZINC000062747404 519989156 /nfs/dbraw/zinc/98/91/56/519989156.db2.gz SGGGUOIPUQXVHV-QWRGUYRKSA-N 1 0 282.359 2.400 10 0 CEAERO CCC[NH2+][C@@H](CC[N@H+](C)C1CCCCC1)C(=O)[O-] ZINC000062442984 519992672 /nfs/dbraw/zinc/99/26/72/519992672.db2.gz MNHPVSYIIJMZAX-ZDUSSCGKSA-N 1 0 256.390 2.094 10 0 CEAERO CC[NH2+]Cc1cccc(CN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000052380251 520004607 /nfs/dbraw/zinc/00/46/07/520004607.db2.gz LSGXTKAMCNKZDO-KBPBESRZSA-N 1 0 262.397 2.405 10 0 CEAERO CCC[NH2+][C@@H](CCSc1ccc(F)cc1)C(N)=O ZINC000062598865 520005728 /nfs/dbraw/zinc/00/57/28/520005728.db2.gz ZBNNLAPXPMSOTP-LBPRGKRZSA-N 1 0 270.373 2.161 10 0 CEAERO CC[NH2+]Cc1cnc(-n2ccc(C)n2)c(Cl)c1 ZINC000052885125 520014882 /nfs/dbraw/zinc/01/48/82/520014882.db2.gz ZHYTZXQYGOMVPR-UHFFFAOYSA-N 1 0 250.733 2.339 10 0 CEAERO CCC[NH2+][C@@H](Cc1cnn(C)c1)c1ncccc1C ZINC000050543241 520015216 /nfs/dbraw/zinc/01/52/16/520015216.db2.gz FZUOEANSBCXADR-AWEZNQCLSA-N 1 0 258.369 2.407 10 0 CEAERO CC[NH2+]Cc1coc(Cn2cc(Br)cn2)c1 ZINC000052577519 520017514 /nfs/dbraw/zinc/01/75/14/520017514.db2.gz SDVWMNQOQVMFCL-UHFFFAOYSA-N 1 0 284.157 2.396 10 0 CEAERO CC(C)n1ccnc(N(CCC[NH3+])C2CCCCC2)c1=O ZINC000061758543 520019788 /nfs/dbraw/zinc/01/97/88/520019788.db2.gz WKGKXPDUIBXETQ-UHFFFAOYSA-N 1 0 292.427 2.312 10 0 CEAERO CC(C)n1ccnc(N[C@@H](C)c2ccc(C[NH3+])cc2)c1=O ZINC000061759065 520021818 /nfs/dbraw/zinc/02/18/18/520021818.db2.gz KQCIHQHHGWXLMH-LBPRGKRZSA-N 1 0 286.379 2.456 10 0 CEAERO CC[NH2+]Cc1oc(CN2CCOC[C@@H]2CC)cc1C ZINC000052481688 520027491 /nfs/dbraw/zinc/02/74/91/520027491.db2.gz BDOLJOLFIFDJIC-ZDUSSCGKSA-N 1 0 266.385 2.308 10 0 CEAERO CCC[NH2+][C@@](C)(CO)CCN1CCN(C)c2ccccc21 ZINC000070335536 520038496 /nfs/dbraw/zinc/03/84/96/520038496.db2.gz WINSQOQTOVXOFJ-QGZVFWFLSA-N 1 0 291.439 2.084 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N[C@H](C)CCc1ccc(O)cc1 ZINC000061271113 520066442 /nfs/dbraw/zinc/06/64/42/520066442.db2.gz NEEIKSVSKCKYRB-OLZOCXBDSA-N 1 0 278.396 2.218 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1ccc(-n2cccn2)cc1 ZINC000061270535 520068542 /nfs/dbraw/zinc/06/85/42/520068542.db2.gz UPMDMKDYFNNMCS-LBPRGKRZSA-N 1 0 272.352 2.199 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(-n2ccc(C(=O)NC)n2)c(F)c1 ZINC000070328154 520074947 /nfs/dbraw/zinc/07/49/47/520074947.db2.gz DGESWAQHLQDXRI-JTQLQIEISA-N 1 0 290.342 2.042 10 0 CEAERO CCC[NH2+][C@H](CC[N@@H+]1CC[C@H](c2ccccc2)C1)C(=O)[O-] ZINC000062530953 520076386 /nfs/dbraw/zinc/07/63/86/520076386.db2.gz QWWBSBODFZDLRR-JKSUJKDBSA-N 1 0 290.407 2.319 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N[C@H]2C[C@@H]2C)cc1 ZINC000052295367 520078182 /nfs/dbraw/zinc/07/81/82/520078182.db2.gz BSQUBTVIWKYNRR-MJVIPROJSA-N 1 0 282.409 2.044 10 0 CEAERO CCC[NH2+][C@H](CCSc1ccc(C)cc1)C(N)=O ZINC000062598258 520079289 /nfs/dbraw/zinc/07/92/89/520079289.db2.gz GKRIEZCFDGWZPD-CYBMUJFWSA-N 1 0 266.410 2.331 10 0 CEAERO CC[NH2+][C@@H](CC)CN1CCN(c2ccccc2OC)CC1 ZINC000050179123 520081319 /nfs/dbraw/zinc/08/13/19/520081319.db2.gz BKCFMGLYPAFWHQ-HNNXBMFYSA-N 1 0 291.439 2.205 10 0 CEAERO CCC[NH2+][C@H](CN1c2ccccc2OCC1=O)C1CC1 ZINC000069077121 520083261 /nfs/dbraw/zinc/08/32/61/520083261.db2.gz NQLJOLUHGAVREX-CYBMUJFWSA-N 1 0 274.364 2.190 10 0 CEAERO CCC[NH2+][C@H](Cc1csc(C)n1)c1ccnn1C ZINC000069467905 520088021 /nfs/dbraw/zinc/08/80/21/520088021.db2.gz VCRZQCJZWFAUAL-GFCCVEGCSA-N 1 0 264.398 2.468 10 0 CEAERO CCN(C(=O)c1ccc(OC)c(F)c1)C1CC[NH2+]CC1 ZINC000061669285 520088287 /nfs/dbraw/zinc/08/82/87/520088287.db2.gz KUNFGWHPEPJHBY-UHFFFAOYSA-N 1 0 280.343 2.048 10 0 CEAERO CCC[NH2+][C@H](c1ccc(F)cc1)[C@@H]1COCCO1 ZINC000055300401 520089016 /nfs/dbraw/zinc/08/90/16/520089016.db2.gz ISFHKGWERPSZBX-UONOGXRCSA-N 1 0 253.317 2.282 10 0 CEAERO CC[NH2+][C@@H](CCOc1cc(C(C)C)ccc1C)C(N)=O ZINC000062539040 520090231 /nfs/dbraw/zinc/09/02/31/520090231.db2.gz XHZJNXOPPOEMKW-AWEZNQCLSA-N 1 0 278.396 2.351 10 0 CEAERO CCC[NH2+][C@H]1CCN([C@H](C)Cc2ccsc2)C1=O ZINC000049649169 520095966 /nfs/dbraw/zinc/09/59/66/520095966.db2.gz 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ZINC000062530700 520190127 /nfs/dbraw/zinc/19/01/27/520190127.db2.gz NBPYDAUXYVUHBH-MELADBBJSA-N 1 0 270.417 2.038 10 0 CEAERO CCCNc1ncccc1C(=O)N(CCC)CC[NH+](C)C ZINC000050786152 520192973 /nfs/dbraw/zinc/19/29/73/520192973.db2.gz HZUVTOIAHFGBQL-UHFFFAOYSA-N 1 0 292.427 2.317 10 0 CEAERO CC[NH2+][C@H](Cc1cnn(C)c1)Cc1cccc(C)c1 ZINC000050543221 520204421 /nfs/dbraw/zinc/20/44/21/520204421.db2.gz XLOJTWMFJWDSCK-INIZCTEOSA-N 1 0 257.381 2.492 10 0 CEAERO CC[NH2+][C@](C)(C[C@H](C)Oc1ccc(OCC)cc1)C(N)=O ZINC000068655109 520240183 /nfs/dbraw/zinc/24/01/83/520240183.db2.gz PKPWRQBYXYHQJX-BLLLJJGKSA-N 1 0 294.395 2.096 10 0 CEAERO CCN[C@](C)(C[C@H](C)[NH+]1CCC(C(C)(C)C)CC1)C(N)=O ZINC000068641364 520240889 /nfs/dbraw/zinc/24/08/89/520240889.db2.gz NSHJCGDUVBOJNH-SUMWQHHRSA-N 1 0 297.487 2.377 10 0 CEAERO CCN[C@](C[N@H+](C)[C@@H](C)C(C)(C)C)(C(=O)OC)C1CC1 ZINC000069101090 520244723 /nfs/dbraw/zinc/24/47/23/520244723.db2.gz XOXLMONPBZKXLO-LRDDRELGSA-N 1 0 284.444 2.284 10 0 CEAERO CCN[C@](C[N@H+](CC1CC1)C(C)C)(C(=O)OC)C1CC1 ZINC000069183598 520246675 /nfs/dbraw/zinc/24/66/75/520246675.db2.gz NJFCEVBVBIORBE-INIZCTEOSA-N 1 0 282.428 2.038 10 0 CEAERO CCN[C@](C[N@@H+]1CCCC(C)(C)C1)(C(=O)OC)C1CC1 ZINC000069516591 520247717 /nfs/dbraw/zinc/24/77/17/520247717.db2.gz HVTIRTWNRIVXTM-INIZCTEOSA-N 1 0 282.428 2.040 10 0 CEAERO CCCOCCC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000069052622 520252473 /nfs/dbraw/zinc/25/24/73/520252473.db2.gz LDUGITRUOUDVSC-UHFFFAOYSA-N 1 0 262.353 2.088 10 0 CEAERO CCNc1c(F)cc(C(=O)NCCCC[NH+](C)C)cc1F ZINC000063006407 520254588 /nfs/dbraw/zinc/25/45/88/520254588.db2.gz NIZHQLRTEPCIKR-UHFFFAOYSA-N 1 0 299.365 2.468 10 0 CEAERO CCNc1ccc(Cl)c(C(=O)N[C@H](C)CC[NH+](C)C)n1 ZINC000050788276 520306624 /nfs/dbraw/zinc/30/66/24/520306624.db2.gz ANNWQPHNNYZHHE-SNVBAGLBSA-N 1 0 298.818 2.237 10 0 CEAERO CCO[C@@H](C[NH3+])COc1ccc(F)cc1Br ZINC000062740410 520311807 /nfs/dbraw/zinc/31/18/07/520311807.db2.gz DPDDLEIYEDIQNV-VIFPVBQESA-N 1 0 292.148 2.331 10 0 CEAERO CCNc1ccc(Cl)cc1C(=O)N[C@@H]1CC[N@H+](C)C1 ZINC000050786420 520314823 /nfs/dbraw/zinc/31/48/23/520314823.db2.gz LSFCVPAJPQVCTA-LLVKDONJSA-N 1 0 281.787 2.206 10 0 CEAERO CC1(C)CCCN1C(=O)c1cccn1C1CC[NH2+]CC1 ZINC000063072086 520333595 /nfs/dbraw/zinc/33/35/95/520333595.db2.gz TWOZUIWHPJYULI-UHFFFAOYSA-N 1 0 275.396 2.427 10 0 CEAERO CCCOc1ccc(C[C@@H](C)[NH3+])c(O[C@H](CC)C(N)=O)c1 ZINC000061678312 520377778 /nfs/dbraw/zinc/37/77/78/520377778.db2.gz IOYWWEDPUYNQMM-BXUZGUMPSA-N 1 0 294.395 2.008 10 0 CEAERO CCCOc1cccc(C(=O)N(CC)CCC[NH3+])c1 ZINC000061667225 520440248 /nfs/dbraw/zinc/44/02/48/520440248.db2.gz JFTAKDYQFKQASA-UHFFFAOYSA-N 1 0 264.369 2.286 10 0 CEAERO CCCOc1cccc(NC(=O)C(C)(C)[NH2+]C)c1 ZINC000061300858 520458820 /nfs/dbraw/zinc/45/88/20/520458820.db2.gz VYPGGKCGIVTXAP-UHFFFAOYSA-N 1 0 250.342 2.412 10 0 CEAERO CCCC[N@H+](CC)CC[C@H](NCCC)C(=O)OCC ZINC000062438231 520476211 /nfs/dbraw/zinc/47/62/11/520476211.db2.gz KEFYKGFXADLTGL-AWEZNQCLSA-N 1 0 272.433 2.430 10 0 CEAERO CCCOc1nc(N2CC[NH+](CC(C)C)CC2)ccc1N ZINC000055085605 520495488 /nfs/dbraw/zinc/49/54/88/520495488.db2.gz NFQYOADAYUKJQZ-UHFFFAOYSA-N 1 0 292.427 2.231 10 0 CEAERO CC1(C)C[NH2+]CCN1C(=O)c1c(F)cccc1Cl ZINC000062665710 520498829 /nfs/dbraw/zinc/49/88/29/520498829.db2.gz BWBJFURXCWNFRV-UHFFFAOYSA-N 1 0 270.735 2.303 10 0 CEAERO CCO[C@H](C[NH3+])CCN(CC)c1cccc(F)c1 ZINC000062741198 520516795 /nfs/dbraw/zinc/51/67/95/520516795.db2.gz ULFLRYIQUXTOQZ-AWEZNQCLSA-N 1 0 254.349 2.406 10 0 CEAERO CCOC(=O)CC[C@@H]([NH3+])Cc1ccc2ncccc2c1 ZINC000069605533 520705647 /nfs/dbraw/zinc/70/56/47/520705647.db2.gz ATLFTWRHUWADPV-CQSZACIVSA-N 1 0 272.348 2.448 10 0 CEAERO CCC[C@@H](Cc1nc(-c2cccc(C)n2)no1)[NH2+]C ZINC000069051571 520712954 /nfs/dbraw/zinc/71/29/54/520712954.db2.gz GNSWHKQBPRGKDR-NSHDSACASA-N 1 0 260.341 2.371 10 0 CEAERO CC[NH+](CC)C[C@@H](C)Nc1nccn(CC(C)C)c1=O ZINC000061766136 520722926 /nfs/dbraw/zinc/72/29/26/520722926.db2.gz PRUMIRVXABFSGT-CYBMUJFWSA-N 1 0 280.416 2.042 10 0 CEAERO CCOc1cc(C[NH2+][C@H](CN(C)C)C(C)C)ccc1O ZINC000049195164 520730994 /nfs/dbraw/zinc/73/09/94/520730994.db2.gz GERIVBCFPFGZJA-CQSZACIVSA-N 1 0 280.412 2.467 10 0 CEAERO CCOc1cc(C[C@H]([NH3+])CC)ccc1O[C@@H](CC)C(N)=O ZINC000061678388 520733806 /nfs/dbraw/zinc/73/38/06/520733806.db2.gz MSLNZFOPZBDAOQ-OLZOCXBDSA-N 1 0 294.395 2.008 10 0 CEAERO CCN(CC1CC1)c1c(C[NH2+]C(C)C)c(C)nn1C ZINC000069238814 520970953 /nfs/dbraw/zinc/97/09/53/520970953.db2.gz LCKQQJAULDRXRK-UHFFFAOYSA-N 1 0 264.417 2.463 10 0 CEAERO CCOC(=O)[C@@H](CC[N@H+](C)C(CC)CC)NC(C)C ZINC000062448826 521055708 /nfs/dbraw/zinc/05/57/08/521055708.db2.gz UDLFRIVZJHYKSH-CQSZACIVSA-N 1 0 272.433 2.427 10 0 CEAERO CCOC(=O)[C@@H](CC[N@H+](C)[C@@H](C)C(C)(C)C)NC1CC1 ZINC000062456549 521055843 /nfs/dbraw/zinc/05/58/43/521055843.db2.gz AEUJINNZSBBHPB-GXTWGEPZSA-N 1 0 284.444 2.427 10 0 CEAERO CCCC[C@@](CC)(NCC[NH+](C)C)C(=O)OCC ZINC000069382028 521123693 /nfs/dbraw/zinc/12/36/93/521123693.db2.gz RUJZUNYFTSQIRB-CQSZACIVSA-N 1 0 258.406 2.040 10 0 CEAERO CCN(CCOC)c1nc(C2CC2)c(C[NH2+]C)s1 ZINC000069181148 521141176 /nfs/dbraw/zinc/14/11/76/521141176.db2.gz DUAGORGUDJSRPB-UHFFFAOYSA-N 1 0 269.414 2.213 10 0 CEAERO CCOC(=O)[C@@](C)([NH3+])CCCCn1ncc2ccccc21 ZINC000050528475 521152252 /nfs/dbraw/zinc/15/22/52/521152252.db2.gz LAYVCSQWQWHFJL-INIZCTEOSA-N 1 0 289.379 2.487 10 0 CEAERO CCC[C@H]([NH2+]CCS(C)(=O)=O)c1cccs1 ZINC000049543952 521158095 /nfs/dbraw/zinc/15/80/95/521158095.db2.gz BPEMKZGXNDDESO-JTQLQIEISA-N 1 0 261.412 2.224 10 0 CEAERO CCOC(=O)[C@@](C[N@H+](C)CC1CC1)(NC(C)C)C1CC1 ZINC000069100753 521164279 /nfs/dbraw/zinc/16/42/79/521164279.db2.gz CIZCXPARRMRPCN-INIZCTEOSA-N 1 0 282.428 2.038 10 0 CEAERO CCOC(=O)[C@@](C[N@@H+]1CCCC(C)(C)C1)(NC)C1CC1 ZINC000069517110 521167204 /nfs/dbraw/zinc/16/72/04/521167204.db2.gz SGOSOYMVKVKWJY-INIZCTEOSA-N 1 0 282.428 2.040 10 0 CEAERO CCOC(=O)[C@@](C[N@H+](CC(C)C)C(C)C)(NC)C1CC1 ZINC000069147094 521167901 /nfs/dbraw/zinc/16/79/01/521167901.db2.gz SQDZYWROZMGPIJ-INIZCTEOSA-N 1 0 284.444 2.284 10 0 CEAERO CCC[C@H]1CN(Cc2ncccn2)[C@H](C(C)(C)C)C[NH2+]1 ZINC000068701209 521222101 /nfs/dbraw/zinc/22/21/01/521222101.db2.gz QSISDJQVFPHUPJ-KBPBESRZSA-N 1 0 276.428 2.465 10 0 CEAERO CC[N@H+](C[C@](NC1CC1)(C(=O)OC)C1CC1)C1CCCC1 ZINC000069099208 521275446 /nfs/dbraw/zinc/27/54/46/521275446.db2.gz PHYDTDMMZOPQHL-QGZVFWFLSA-N 1 0 294.439 2.325 10 0 CEAERO CCC(C)(C)[N@H+](C)CCCC[C@](C)([NH2+]C)C(=O)[O-] ZINC000069446822 521300032 /nfs/dbraw/zinc/30/00/32/521300032.db2.gz XPVBWDBPBRPSAP-AWEZNQCLSA-N 1 0 258.406 2.340 10 0 CEAERO CCOC(=O)[C@](C[N@H+](C)C[C@@H](C)CC)(NC1CC1)C1CC1 ZINC000069098556 521336820 /nfs/dbraw/zinc/33/68/20/521336820.db2.gz YYXIRMBQQLVUOB-SUMWQHHRSA-N 1 0 296.455 2.428 10 0 CEAERO CCOC(=O)[C@](C[N@H+](C)CC(C)(C)C)(NC1CC1)C1CC1 ZINC000069132516 521337280 /nfs/dbraw/zinc/33/72/80/521337280.db2.gz DAYIGUHBKGHFCN-QGZVFWFLSA-N 1 0 296.455 2.428 10 0 CEAERO CCOC(=O)[C@](C[NH+](CC)CC)(NC(C)C)C1CC1 ZINC000069093682 521340714 /nfs/dbraw/zinc/34/07/14/521340714.db2.gz ZFQPJLCRFVIGMP-OAHLLOKOSA-N 1 0 270.417 2.038 10 0 CEAERO CCC(C)(C)[NH2+]CCn1cc(Br)ccc1=O ZINC000053523074 521353216 /nfs/dbraw/zinc/35/32/16/521353216.db2.gz XSPBCYMEIGGUCJ-UHFFFAOYSA-N 1 0 287.201 2.389 10 0 CEAERO CCCc1ccc([C@@H](CS(C)(=O)=O)[NH2+]CC)cc1 ZINC000054930432 521413649 /nfs/dbraw/zinc/41/36/49/521413649.db2.gz YXNBXHWHHQUZBI-CQSZACIVSA-N 1 0 269.410 2.334 10 0 CEAERO CCCc1ccc([C@@H](Cn2ncccc2=O)[NH2+]C)cc1 ZINC000061402300 521415057 /nfs/dbraw/zinc/41/50/57/521415057.db2.gz UYEGVISJAJYPCI-OAHLLOKOSA-N 1 0 271.364 2.157 10 0 CEAERO CCOC(=O)c1cc(C)sc1NC(=O)CCCC[NH3+] ZINC000070203826 521430532 /nfs/dbraw/zinc/43/05/32/521430532.db2.gz LSJCLQVYQLAGED-UHFFFAOYSA-N 1 0 284.381 2.301 10 0 CEAERO CCC(CC)(C[NH2+]C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000054658696 521438806 /nfs/dbraw/zinc/43/88/06/521438806.db2.gz MTXOLJBVRHPUPI-GFCCVEGCSA-N 1 0 261.431 2.226 10 0 CEAERO CCOC(=O)c1ccc(NC(=O)C2(C)CC[NH2+]CC2)cc1 ZINC000062841218 521490418 /nfs/dbraw/zinc/49/04/18/521490418.db2.gz FKARXPBNZBDKMD-UHFFFAOYSA-N 1 0 290.363 2.192 10 0 CEAERO CCN1C(=O)CC[C@@H]([NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000062211301 521518492 /nfs/dbraw/zinc/51/84/92/521518492.db2.gz QOCQOFUGFRSLEV-DGCLKSJQSA-N 1 0 252.745 2.351 10 0 CEAERO CCC(CC)N(CCOC)C(=O)[C@@H]1CCC[C@H]([NH3+])[C@@H]1C ZINC000055133730 521556440 /nfs/dbraw/zinc/55/64/40/521556440.db2.gz OTFROSJKECKBMB-YUELXQCFSA-N 1 0 284.444 2.414 10 0 CEAERO CCOC(=O)c1nc(CN2[C@@H](C[NH3+])CCC[C@@H]2C)cs1 ZINC000070154722 521597009 /nfs/dbraw/zinc/59/70/09/521597009.db2.gz ZVWNGCWEJWYMKL-CMPLNLGQSA-N 1 0 297.424 2.022 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CNc1cc(C)nc(Cl)n1 ZINC000052814285 521640931 /nfs/dbraw/zinc/64/09/31/521640931.db2.gz WKFRSVDKTBWRFA-SNVBAGLBSA-N 1 0 254.765 2.335 10 0 CEAERO CCCN(CCC[NH3+])C(=O)C1(c2ccccc2)CC1 ZINC000061617513 521652934 /nfs/dbraw/zinc/65/29/34/521652934.db2.gz FQGHAINREWLADX-UHFFFAOYSA-N 1 0 260.381 2.306 10 0 CEAERO CCOC1CCN(C[C@@](C)([NH3+])c2ccccc2)CC1 ZINC000052883413 521655733 /nfs/dbraw/zinc/65/57/33/521655733.db2.gz DLWKJQRCTKUKFZ-MRXNPFEDSA-N 1 0 262.397 2.361 10 0 CEAERO CCCn1ccnc1[C@@H]([NH3+])Cc1nc(C)cs1 ZINC000069498536 521663073 /nfs/dbraw/zinc/66/30/73/521663073.db2.gz NVYMPAYKYBCHQS-JTQLQIEISA-N 1 0 250.371 2.301 10 0 CEAERO CCC1(C)CC[NH+](C[C@@](NC)(C(=O)OC)C2CC2)CC1 ZINC000069232497 521678341 /nfs/dbraw/zinc/67/83/41/521678341.db2.gz QKXYKAXGVDXCAM-INIZCTEOSA-N 1 0 282.428 2.040 10 0 CEAERO CCC[N@H+](C[C@](NCC)(C(=O)OCC)C1CC1)C(C)C ZINC000069097787 521678569 /nfs/dbraw/zinc/67/85/69/521678569.db2.gz XZYJSSXDIGIGCN-MRXNPFEDSA-N 1 0 284.444 2.428 10 0 CEAERO CCC[N@H+](C[C@](NC1CC1)(C(=O)OCC)C1CC1)C1CC1 ZINC000069098218 521678623 /nfs/dbraw/zinc/67/86/23/521678623.db2.gz AXFZRIBHHWMWMW-QGZVFWFLSA-N 1 0 294.439 2.325 10 0 CEAERO CCCN(Cc1ccccc1)C(=O)[C@]1(C)CC[NH2+]C1 ZINC000062891186 521685932 /nfs/dbraw/zinc/68/59/32/521685932.db2.gz FNBQSPIFRPHTDF-MRXNPFEDSA-N 1 0 260.381 2.425 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]C)[C@@H]1c1ccc(C)s1 ZINC000070288053 521706139 /nfs/dbraw/zinc/70/61/39/521706139.db2.gz UAQJVXYVAWTTDJ-WCQYABFASA-N 1 0 254.399 2.038 10 0 CEAERO CCc1cccc(OCCCC[C@@](C)([NH2+]C)C(N)=O)c1 ZINC000045504357 521775832 /nfs/dbraw/zinc/77/58/32/521775832.db2.gz TVGRKDWRVLRWDU-MRXNPFEDSA-N 1 0 278.396 2.262 10 0 CEAERO COCC[C@@H]([NH3+])C(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000052790768 521830745 /nfs/dbraw/zinc/83/07/45/521830745.db2.gz GJTRVDBITMCNOH-MRVPVSSYSA-N 1 0 299.783 2.252 10 0 CEAERO C[NH+](C)C[C@@H]1CCCN1CC(=O)c1ccc(F)cc1F ZINC000061645614 521834961 /nfs/dbraw/zinc/83/49/61/521834961.db2.gz WQYDPLNGMHOSNB-LBPRGKRZSA-N 1 0 282.334 2.174 10 0 CEAERO CN(C)C[C@@H]1CCC[N@@H+]1CCCOc1cccc(N)c1 ZINC000061641798 521838024 /nfs/dbraw/zinc/83/80/24/521838024.db2.gz RVSKSTBQDQTROF-HNNXBMFYSA-N 1 0 277.412 2.064 10 0 CEAERO C[NH+](C)C[C@@H]1CCCN1c1ccc2cc(N)ccc2n1 ZINC000061642946 521844671 /nfs/dbraw/zinc/84/46/71/521844671.db2.gz PLWDEGLSEMPQRP-AWEZNQCLSA-N 1 0 270.380 2.347 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1C(=O)c1cc(Cl)ccc1O ZINC000061652199 521863813 /nfs/dbraw/zinc/86/38/13/521863813.db2.gz ADWSPULCGNXOOW-LLVKDONJSA-N 1 0 282.771 2.212 10 0 CEAERO CCc1ccccc1[C@@H](C[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000052203311 521931981 /nfs/dbraw/zinc/93/19/81/521931981.db2.gz RSIZWNSVQUHPFN-DVOMOZLQSA-N 1 0 262.397 2.358 10 0 CEAERO CCc1ccccc1[C@@H](C[NH3+])N1CCOC(C)(C)C1 ZINC000052203571 521932416 /nfs/dbraw/zinc/93/24/16/521932416.db2.gz SRTKFRNPSXSSHP-OAHLLOKOSA-N 1 0 262.397 2.360 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N(Cc1ccc(C)cc1)C1CC1 ZINC000061317214 521933325 /nfs/dbraw/zinc/93/33/25/521933325.db2.gz UEDCEHWLCYSZMS-UHFFFAOYSA-N 1 0 260.381 2.484 10 0 CEAERO COCC[C@H]([NH3+])c1nc2c([nH]1)CCc1sccc1-2 ZINC000061327123 521950604 /nfs/dbraw/zinc/95/06/04/521950604.db2.gz WQTVKMFROCXXSN-VIFPVBQESA-N 1 0 263.366 2.273 10 0 CEAERO C[NH2+]CC1(CN2CCN(c3nccs3)CC2)CCCC1 ZINC000051212200 521968094 /nfs/dbraw/zinc/96/80/94/521968094.db2.gz IMDKPHFECOQWKU-UHFFFAOYSA-N 1 0 294.468 2.045 10 0 CEAERO C[NH2+]CC1(CN2C[C@H](C)O[C@@H](C)C2)CCCCC1 ZINC000051209799 521972780 /nfs/dbraw/zinc/97/27/80/521972780.db2.gz OEBYOZCVXUQPGP-KBPBESRZSA-N 1 0 254.418 2.266 10 0 CEAERO C[NH2+]CCCc1nnc(-c2ccc(F)c(F)c2)o1 ZINC000050616679 522000883 /nfs/dbraw/zinc/00/08/83/522000883.db2.gz ZRAJBBYILNCUCX-UHFFFAOYSA-N 1 0 253.252 2.167 10 0 CEAERO C[NH2+]CCCc1nnc(COc2ccc(Cl)cc2)o1 ZINC000050616760 522001966 /nfs/dbraw/zinc/00/19/66/522001966.db2.gz XZDYFWFCONXYBP-UHFFFAOYSA-N 1 0 281.743 2.454 10 0 CEAERO C[NH2+]CCc1nnc(-c2cccc3cccnc32)o1 ZINC000061439492 522022414 /nfs/dbraw/zinc/02/24/14/522022414.db2.gz DSRAIVBSWQZIHJ-UHFFFAOYSA-N 1 0 254.293 2.047 10 0 CEAERO C[NH2+]C[C@@H](C)Cn1nc(C)c(Br)c1C ZINC000052573818 522031362 /nfs/dbraw/zinc/03/13/62/522031362.db2.gz PKTHTIGQAJLOQR-SSDOTTSWSA-N 1 0 260.179 2.118 10 0 CEAERO C[NH2+]C[C@@H](CCS(C)(=O)=O)Cc1ccccc1Cl ZINC000052979519 522033712 /nfs/dbraw/zinc/03/37/12/522033712.db2.gz SHSIHLNOZHYXNX-NSHDSACASA-N 1 0 289.828 2.153 10 0 CEAERO C[NH2+]C[C@@H]1CCCCN1c1cccc(Cl)c1C(N)=O ZINC000063169485 522042953 /nfs/dbraw/zinc/04/29/53/522042953.db2.gz UNRTUSUDSKATIU-JTQLQIEISA-N 1 0 281.787 2.017 10 0 CEAERO C[NH2+]C[C@@H]1Cc2ccccc2CN1c1ncccc1F ZINC000054701263 522061436 /nfs/dbraw/zinc/06/14/36/522061436.db2.gz MQENKVGJLNWEJQ-AWEZNQCLSA-N 1 0 271.339 2.371 10 0 CEAERO COCCn1c(C[NH2+]CC(C)C)nc2ccccc21 ZINC000062742497 522068060 /nfs/dbraw/zinc/06/80/60/522068060.db2.gz IEKUQGBCNHRHED-UHFFFAOYSA-N 1 0 261.369 2.428 10 0 CEAERO COC(=O)c1ccc(NC(=O)CC[C@H]2CCCC[NH2+]2)cc1 ZINC000050950418 522088460 /nfs/dbraw/zinc/08/84/60/522088460.db2.gz WEKNXPJBDNVVRH-CYBMUJFWSA-N 1 0 290.363 2.334 10 0 CEAERO C[NH2+]Cc1c(-n2ccc(C3CC3)n2)nc2sccn12 ZINC000052884785 522097833 /nfs/dbraw/zinc/09/78/33/522097833.db2.gz XLEFTSNHOBOTER-UHFFFAOYSA-N 1 0 273.365 2.178 10 0 CEAERO C[NH2+]Cc1cc(CN(CC(F)(F)F)C(C)C)on1 ZINC000052502816 522104541 /nfs/dbraw/zinc/10/45/41/522104541.db2.gz KZBVZJAIUSFAIO-UHFFFAOYSA-N 1 0 265.279 2.167 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc(N)cc2Cl)CC1 ZINC000055063475 522114419 /nfs/dbraw/zinc/11/44/19/522114419.db2.gz YAAWMIPGNDPJRE-LLVKDONJSA-N 1 0 295.814 2.479 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc3c[nH]nc3c2)CC1 ZINC000061670821 522114670 /nfs/dbraw/zinc/11/46/70/522114670.db2.gz IRZQLXNRBLULCZ-GFCCVEGCSA-N 1 0 286.379 2.119 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(C[C@@H]2CNc3ccccc3O2)CC1 ZINC000055083401 522125002 /nfs/dbraw/zinc/12/50/02/522125002.db2.gz IMXMKEHIHYVFGB-CABCVRRESA-N 1 0 289.423 2.276 10 0 CEAERO C[NH2+]Cc1cccnc1N1CCOc2ccccc2C1 ZINC000063013654 522140811 /nfs/dbraw/zinc/14/08/11/522140811.db2.gz VQMYWZGUJRJTRD-UHFFFAOYSA-N 1 0 269.348 2.200 10 0 CEAERO C[NH2+]Cc1cnc(N2CCc3sccc3C2)s1 ZINC000054900856 522149275 /nfs/dbraw/zinc/14/92/75/522149275.db2.gz QUURAGUKZYUMHH-UHFFFAOYSA-N 1 0 265.407 2.487 10 0 CEAERO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000052396215 522195742 /nfs/dbraw/zinc/19/57/42/522195742.db2.gz TVUXSXJXHKVTMX-XJKCOSOUSA-N 1 0 274.408 2.437 10 0 CEAERO CC[C@@H](C)[NH2+]C1(C(N)=O)C2CC3CC(C2)CC1C3 ZINC000055026587 522225060 /nfs/dbraw/zinc/22/50/60/522225060.db2.gz CKGXXWTUHBKEHP-LHALRJPCSA-N 1 0 250.386 2.055 10 0 CEAERO COc1cc(C)c([C@@H]([NH3+])C2CCOCC2)cc1OC ZINC000061672141 522226316 /nfs/dbraw/zinc/22/63/16/522226316.db2.gz ZJKKQZUXHZNXKX-HNNXBMFYSA-N 1 0 265.353 2.439 10 0 CEAERO CN(C)c1cccc(-c2nc(C[C@@H]3CCC[NH2+]C3)no2)c1 ZINC000063084536 522255279 /nfs/dbraw/zinc/25/52/79/522255279.db2.gz XHCJLLDNQZKHJJ-LBPRGKRZSA-N 1 0 286.379 2.345 10 0 CEAERO C[NH2+][C@@H](C)CCCCS(=O)(=O)c1ccccc1 ZINC000061702722 522321062 /nfs/dbraw/zinc/32/10/62/522321062.db2.gz RVWVWCPMVNQGCK-LBPRGKRZSA-N 1 0 255.383 2.239 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(F)cc1OCCCC(=O)N(C)C ZINC000062746180 522331603 /nfs/dbraw/zinc/33/16/03/522331603.db2.gz TZGDEELLMAMQEX-NSHDSACASA-N 1 0 282.359 2.353 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(F)cc1O[C@@H]1CCCCNC1=O ZINC000062746624 522332297 /nfs/dbraw/zinc/33/22/97/522332297.db2.gz WGZIWOPPRQZDPF-GXFFZTMASA-N 1 0 280.343 2.154 10 0 CEAERO CC[C@H]([NH3+])Cc1noc(-c2ccc(N(C)C)cc2)n1 ZINC000054184871 522338176 /nfs/dbraw/zinc/33/81/76/522338176.db2.gz LYXDJUNVKHDNPU-NSHDSACASA-N 1 0 260.341 2.082 10 0 CEAERO C[NH2+][C@@H](CSC)Cc1ncc(C)c(OC)c1C ZINC000054495752 522357332 /nfs/dbraw/zinc/35/73/32/522357332.db2.gz FNLWUWCLHNPPEG-LLVKDONJSA-N 1 0 254.399 2.201 10 0 CEAERO C[NH2+][C@@H](c1ccc2c(c1)CCC(=O)N2)[C@@H]1CCCOC1 ZINC000062231427 522370512 /nfs/dbraw/zinc/37/05/12/522370512.db2.gz APNSFVXTQHCFRF-CJNGLKHVSA-N 1 0 274.364 2.258 10 0 CEAERO C[NH2+][C@@H](c1ccnn1C)c1nccc2ccccc21 ZINC000069468186 522371610 /nfs/dbraw/zinc/37/16/10/522371610.db2.gz OKICTAWKUFLTMU-HNNXBMFYSA-N 1 0 252.321 2.277 10 0 CEAERO CN(C)c1ncccc1NC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050944404 522374756 /nfs/dbraw/zinc/37/47/56/522374756.db2.gz WYJWCMATUREWNU-LBPRGKRZSA-N 1 0 276.384 2.008 10 0 CEAERO CCc1nc(N(CCOC)C2CC2)sc1C[NH2+]C ZINC000055000285 522383651 /nfs/dbraw/zinc/38/36/51/522383651.db2.gz YREIAGJHJCZVGN-UHFFFAOYSA-N 1 0 269.414 2.040 10 0 CEAERO C[NH2+][C@@H]1CCN([C@H](C)c2ccccc2Cl)C1=O ZINC000049659866 522395696 /nfs/dbraw/zinc/39/56/96/522395696.db2.gz OPCGAIYEKCXCLW-BXKDBHETSA-N 1 0 252.745 2.221 10 0 CEAERO C[NH2+][C@@](C)(C[C@H](C)Oc1ccc2ccccc2c1)C(N)=O ZINC000068656933 522423025 /nfs/dbraw/zinc/42/30/25/522423025.db2.gz ZTIGISFGFIGBRH-SJCJKPOMSA-N 1 0 286.375 2.461 10 0 CEAERO CC[C@@H](C)c1ccccc1OC[C@]([NH2+]C)(C(N)=O)C1CC1 ZINC000069197823 522439321 /nfs/dbraw/zinc/43/93/21/522439321.db2.gz LGXKYGVBVYHXNU-SJKOYZFVSA-N 1 0 290.407 2.432 10 0 CEAERO C[NH2+][C@H](Cc1cnn(C)c1)C1(c2ccccc2)CC1 ZINC000062781228 522474876 /nfs/dbraw/zinc/47/48/76/522474876.db2.gz QAGWQLGZFAPKHE-OAHLLOKOSA-N 1 0 255.365 2.282 10 0 CEAERO C[NH2+][C@H](c1cc(OC)ccc1OC)[C@H]1CCOC1 ZINC000048623567 522477029 /nfs/dbraw/zinc/47/70/29/522477029.db2.gz WYHZEQCUVLJJDX-HZMBPMFUSA-N 1 0 251.326 2.001 10 0 CEAERO C[NH2+][C@H]1CCC2(C[C@@H]1Oc1cc(F)cc(F)c1)OCCO2 ZINC000054932651 522487551 /nfs/dbraw/zinc/48/75/51/522487551.db2.gz IAKRGVYMFNMANF-KBPBESRZSA-N 1 0 299.317 2.227 10 0 CEAERO CC[C@@H](CC[NH3+])NC(=O)c1ccc2ccccc2n1 ZINC000054161603 522498024 /nfs/dbraw/zinc/49/80/24/522498024.db2.gz OHJZZPBYYCVZJV-LBPRGKRZSA-N 1 0 257.337 2.092 10 0 CEAERO C[NH2+][C@H]1CCCc2nc(N3CCN(C4CC4)CC3)sc21 ZINC000054909505 522499745 /nfs/dbraw/zinc/49/97/45/522499745.db2.gz DHUANLAFMOPPKQ-LBPRGKRZSA-N 1 0 292.452 2.024 10 0 CEAERO CCc1nc2ccccc2n1[C@@H]1COCC[C@H]1[NH2+]C ZINC000062807461 522507172 /nfs/dbraw/zinc/50/71/72/522507172.db2.gz PQFSJIZSGGOHCN-BXUZGUMPSA-N 1 0 259.353 2.148 10 0 CEAERO C[NH2+][C@](COc1ccc(C(C)C)cc1)(C(N)=O)C1CC1 ZINC000069197021 522530615 /nfs/dbraw/zinc/53/06/15/522530615.db2.gz PHMIXWLIQCVACZ-INIZCTEOSA-N 1 0 276.380 2.042 10 0 CEAERO Clc1cccc(OCCN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000177077363 534645298 /nfs/dbraw/zinc/64/52/98/534645298.db2.gz RRVWARVEFMHBDE-CQSZACIVSA-N 1 0 280.799 2.499 10 0 CEAERO COc1cc(Cl)ccc1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000049516071 522546092 /nfs/dbraw/zinc/54/60/92/522546092.db2.gz XSDZTNREUXQURT-LBPRGKRZSA-N 1 0 294.782 2.269 10 0 CEAERO COC[C@H](C)N(C)c1ccc(C(N)=[NH2+])cc1Cl ZINC000062794188 522596613 /nfs/dbraw/zinc/59/66/13/522596613.db2.gz XFCCHUURVVFIMW-QMMMGPOBSA-N 1 0 255.749 2.095 10 0 CEAERO COc1cc(F)ccc1NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000049569934 522611361 /nfs/dbraw/zinc/61/13/61/522611361.db2.gz YSUANJDBJBMFJN-CYBMUJFWSA-N 1 0 288.322 2.343 10 0 CEAERO CC[C@H]([NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)C(C)C ZINC000049129690 522612229 /nfs/dbraw/zinc/61/22/29/522612229.db2.gz RFNZOAPJTDAYLZ-LSDHHAIUSA-N 1 0 299.436 2.148 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1CC)c1cccs1 ZINC000061594403 522653372 /nfs/dbraw/zinc/65/33/72/522653372.db2.gz JWRCNLMXKOIOIL-SCZZXKLOSA-N 1 0 298.437 2.224 10 0 CEAERO CC[C@@H]([NH3+])[C@](O)(c1ccccc1F)C(F)(F)F ZINC000062784534 522655490 /nfs/dbraw/zinc/65/54/90/522655490.db2.gz MIYOLCUYLFSFKS-NXEZZACHSA-N 1 0 251.223 2.313 10 0 CEAERO CNc1nc2ccccc2cc1CN1CC[NH+](C)CC1 ZINC000050792320 522690751 /nfs/dbraw/zinc/69/07/51/522690751.db2.gz SODCNOICNUDKBU-UHFFFAOYSA-N 1 0 270.380 2.024 10 0 CEAERO COC[C@H]([NH2+]C[C@@H](O)COC(C)(C)C)c1ccc(C)o1 ZINC000184633813 522737931 /nfs/dbraw/zinc/73/79/31/522737931.db2.gz MFYQUCTZVYPKFQ-OLZOCXBDSA-N 1 0 285.384 2.041 10 0 CEAERO COCC(=O)Nc1ccc(NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000054241759 522786267 /nfs/dbraw/zinc/78/62/67/522786267.db2.gz VWOGQKVZAYBUEY-CYBMUJFWSA-N 1 0 291.395 2.025 10 0 CEAERO CC[C@@H](NC(=O)c1ccc(NN)[nH+]c1)C1CCCCC1 ZINC000052345124 522786723 /nfs/dbraw/zinc/78/67/23/522786723.db2.gz ZNWHWLWAOHCXKK-CYBMUJFWSA-N 1 0 276.384 2.456 10 0 CEAERO CC[C@@H]([NH2+]C)c1c(C)nn(C[C@@H]2CCCO2)c1C ZINC000054718556 522805449 /nfs/dbraw/zinc/80/54/49/522805449.db2.gz YIUDIICSLFKOLV-QWHCGFSZSA-N 1 0 251.374 2.349 10 0 CEAERO CN(CC[NH2+]C1CCOCC1)CC1CCCCC1 ZINC000062767876 522864166 /nfs/dbraw/zinc/86/41/66/522864166.db2.gz DRSCXURSKKZMAO-UHFFFAOYSA-N 1 0 254.418 2.267 10 0 CEAERO CN(CC[NH2+]C[C@H]1CCOC1)Cc1ccc(Cl)s1 ZINC000053424693 522865862 /nfs/dbraw/zinc/86/58/62/522865862.db2.gz HXNUCOAFEUTYJE-LLVKDONJSA-N 1 0 288.844 2.459 10 0 CEAERO CC[C@H](Oc1c(Cl)cc(Cl)cc1CC[NH3+])C(N)=O ZINC000061678309 522866639 /nfs/dbraw/zinc/86/66/39/522866639.db2.gz CJXQMEYKYBCHEB-JTQLQIEISA-N 1 0 291.178 2.137 10 0 CEAERO C[N@H+](CCNc1ccc(C(N)=S)cc1Cl)C1CC1 ZINC000062796229 522869009 /nfs/dbraw/zinc/86/90/09/522869009.db2.gz NDOZFGMEVSCBDK-UHFFFAOYSA-N 1 0 283.828 2.480 10 0 CEAERO CC[C@H](Oc1ccc(C[NH2+]C(C)(C)C)cc1OC)C(N)=O ZINC000062731819 522871168 /nfs/dbraw/zinc/87/11/68/522871168.db2.gz CAGPVRXGWPOIAE-LBPRGKRZSA-N 1 0 294.395 2.226 10 0 CEAERO COc1cc(OC)cc(O[C@H]([C@@H](C)[NH3+])C(F)(F)F)c1 ZINC000068806443 522874697 /nfs/dbraw/zinc/87/46/97/522874697.db2.gz PSXYSGMNHJUJQP-RDDDGLTNSA-N 1 0 279.258 2.361 10 0 CEAERO CC[C@@H](NS(=O)(=O)C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000051629348 522901081 /nfs/dbraw/zinc/90/10/81/522901081.db2.gz SXLPUXARRACEIF-DZGCQCFKSA-N 1 0 296.436 2.057 10 0 CEAERO CC[C@@H]([NH2+][C@@H](C)C(=O)NCCOC)C1CCCCC1 ZINC000052340011 522907037 /nfs/dbraw/zinc/90/70/37/522907037.db2.gz QOOHOQFMFKQEPK-GXTWGEPZSA-N 1 0 270.417 2.086 10 0 CEAERO COC(=O)CC[N@@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000157803167 523070824 /nfs/dbraw/zinc/07/08/24/523070824.db2.gz ZLPIUGNIKTZGGR-LLVKDONJSA-N 1 0 268.382 2.194 10 0 CEAERO CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)C[C@@H]1CCCC[NH2+]1 ZINC000049631386 523197867 /nfs/dbraw/zinc/19/78/67/523197867.db2.gz VKRRITNLAGWQFA-RDBSUJKOSA-N 1 0 288.457 2.017 10 0 CEAERO CC[C@H]1CN(c2ncc(C[NH2+]C3CC3)s2)CCO1 ZINC000054903606 523308117 /nfs/dbraw/zinc/30/81/17/523308117.db2.gz ZVRBFVIOIHKDAO-NSHDSACASA-N 1 0 267.398 2.010 10 0 CEAERO CC[C@H]1CO[C@H](C)CN1c1ncc([C@@H](C)[NH3+])s1 ZINC000054898182 523353874 /nfs/dbraw/zinc/35/38/74/523353874.db2.gz SDGYYIGGQXVDEV-BBBLOLIVSA-N 1 0 255.387 2.167 10 0 CEAERO CN(Cc1ccccc1F)Cc1cccnc1C(N)=[NH2+] ZINC000061658101 523371997 /nfs/dbraw/zinc/37/19/97/523371997.db2.gz GCCQVLLRHSAOCH-UHFFFAOYSA-N 1 0 272.327 2.137 10 0 CEAERO CCn1cc(COc2ccc3c(c2)OC[C@H]3[NH2+]C)cn1 ZINC000062804222 523391939 /nfs/dbraw/zinc/39/19/39/523391939.db2.gz IWOCTUJMQBWPIR-CQSZACIVSA-N 1 0 273.336 2.135 10 0 CEAERO CCn1cc(Cn2nc(C)c([C@@H](C)[NH2+]C)c2C)cn1 ZINC000054717910 523399944 /nfs/dbraw/zinc/39/99/44/523399944.db2.gz FZFMVVZJXIUMCF-SNVBAGLBSA-N 1 0 261.373 2.045 10 0 CEAERO CC[C@](C)([NH3+])c1noc(CC[C@@H]2CCCCO2)n1 ZINC000069403524 523475222 /nfs/dbraw/zinc/47/52/22/523475222.db2.gz LVWMKYWGHYOYSB-GWCFXTLKSA-N 1 0 253.346 2.155 10 0 CEAERO CC[C@@H]1COCCN1c1cc(C[NH3+])c2ccccc2n1 ZINC000051397047 523501330 /nfs/dbraw/zinc/50/13/30/523501330.db2.gz ZRTOMRQAUHKZME-CYBMUJFWSA-N 1 0 271.364 2.309 10 0 CEAERO CC[C@](O)(C[NH2+]CCOC)c1cccc(Cl)c1 ZINC000055033590 523531510 /nfs/dbraw/zinc/53/15/10/523531510.db2.gz IXIUKFBHGNIIGU-ZDUSSCGKSA-N 1 0 257.761 2.174 10 0 CEAERO CCn1ccnc1Cn1nc(C)c(C[NH2+]C(C)C)c1C ZINC000054743859 523546210 /nfs/dbraw/zinc/54/62/10/523546210.db2.gz UIGTYNGKIQYROF-UHFFFAOYSA-N 1 0 275.400 2.263 10 0 CEAERO CN(c1cc(Cl)ccc1C(N)=[NH2+])C1CCOCC1 ZINC000062788830 523631754 /nfs/dbraw/zinc/63/17/54/523631754.db2.gz NTCGARGJGCNVQB-UHFFFAOYSA-N 1 0 267.760 2.239 10 0 CEAERO CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000049965550 523639581 /nfs/dbraw/zinc/63/95/81/523639581.db2.gz JRWBBKVUEOBTRI-UHFFFAOYSA-N 1 0 294.351 2.110 10 0 CEAERO CC[C@@](C)([NH3+])c1noc([C@H](OC)c2ccccc2)n1 ZINC000050438359 523646897 /nfs/dbraw/zinc/64/68/97/523646897.db2.gz DAMZCSJQVRLMIY-BXUZGUMPSA-N 1 0 261.325 2.389 10 0 CEAERO CN(c1nc2c(s1)[C@H](O)CCC2)[C@@H]1CCC[N@H+](C)C1 ZINC000054911542 523666968 /nfs/dbraw/zinc/66/69/68/523666968.db2.gz LGPJYURXESKLMA-ZYHUDNBSSA-N 1 0 281.425 2.043 10 0 CEAERO CC[C@@]1(C(=O)N[C@@H](C)c2ccccn2)CCC[NH2+]C1 ZINC000062853771 523695732 /nfs/dbraw/zinc/69/57/32/523695732.db2.gz CXNPTNGKVRDTRV-SWLSCSKDSA-N 1 0 261.369 2.039 10 0 CEAERO COCCN([C@@H](C[NH3+])c1ccc(F)cc1C)[C@@H](C)COC ZINC000050579117 523781155 /nfs/dbraw/zinc/78/11/55/523781155.db2.gz FSVHYMUBVRTGAG-BBRMVZONSA-N 1 0 298.402 2.117 10 0 CEAERO C[NH+]1CCC(O)(c2ccccc2OC(F)(F)F)CC1 ZINC000055192397 523781164 /nfs/dbraw/zinc/78/11/64/523781164.db2.gz ZWBAZOZRJVKVDP-UHFFFAOYSA-N 1 0 275.270 2.498 10 0 CEAERO C[NH+]1CCC(Oc2ccc(Cl)cc2C(N)=S)CC1 ZINC000052859352 523783486 /nfs/dbraw/zinc/78/34/86/523783486.db2.gz QPPQNCKORJZPDI-UHFFFAOYSA-N 1 0 284.812 2.447 10 0 CEAERO COc1ccc(C)cc1C(=O)N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000052943816 523802471 /nfs/dbraw/zinc/80/24/71/523802471.db2.gz ABGBPXKBELZUPD-QWHCGFSZSA-N 1 0 262.353 2.003 10 0 CEAERO C[N@@H+]1CCC[C@@H](CNCc2nnc(-c3ccccc3)o2)C1 ZINC000050601937 523815718 /nfs/dbraw/zinc/81/57/18/523815718.db2.gz ZYEDCMCZRIYAFA-ZDUSSCGKSA-N 1 0 286.379 2.168 10 0 CEAERO COC(=O)[C@@](C)([NH3+])CCCCOc1cc(F)cc(F)c1 ZINC000054934217 523817986 /nfs/dbraw/zinc/81/79/86/523817986.db2.gz BGUHXTLEWPHRSH-AWEZNQCLSA-N 1 0 287.306 2.404 10 0 CEAERO CO[C@H](C(=O)N(CCC[NH3+])CC(C)C)c1ccccc1 ZINC000050436927 523820138 /nfs/dbraw/zinc/82/01/38/523820138.db2.gz DSFSHLQLCRBKOH-HNNXBMFYSA-N 1 0 278.396 2.208 10 0 CEAERO COCC[NH2+]CC1(Cc2cccs2)CCOCC1 ZINC000061674613 523935663 /nfs/dbraw/zinc/93/56/63/523935663.db2.gz GFVVHAHVBGRDQO-UHFFFAOYSA-N 1 0 269.410 2.323 10 0 CEAERO CCc1ccc(CNC(=O)[C@@H]2CCC[C@H]2[NH3+])s1 ZINC000151820452 523938411 /nfs/dbraw/zinc/93/84/11/523938411.db2.gz CSMHCCDDNJGUKC-VXGBXAGGSA-N 1 0 252.383 2.054 10 0 CEAERO COc1ccc(CC[NH3+])c(OCCOC(C)C)c1 ZINC000049261167 523941745 /nfs/dbraw/zinc/94/17/45/523941745.db2.gz WODQHGJGJXICFG-UHFFFAOYSA-N 1 0 253.342 2.000 10 0 CEAERO COCC[NH2+]C[C@H](O)c1csc2ccccc21 ZINC000055030705 523943673 /nfs/dbraw/zinc/94/36/73/523943673.db2.gz WNOPEYAJOIFDCJ-LBPRGKRZSA-N 1 0 251.351 2.171 10 0 CEAERO COCC[NH2+]C[C@H]1CCCN(c2cc(C(C)C)ncn2)C1 ZINC000053703472 523943870 /nfs/dbraw/zinc/94/38/70/523943870.db2.gz MUOONKAXUBLDBN-CQSZACIVSA-N 1 0 292.427 2.052 10 0 CEAERO COCC[NH2+]C[C@H](CCOC)Cc1ccc(OC)cc1 ZINC000054666952 523944001 /nfs/dbraw/zinc/94/40/01/523944001.db2.gz RALSDZFYNWREIT-OAHLLOKOSA-N 1 0 281.396 2.126 10 0 CEAERO COCC[NH2+]Cc1cnc(-c2cc(F)ccc2C)nc1 ZINC000054856889 523955950 /nfs/dbraw/zinc/95/59/50/523955950.db2.gz ZXTKCWGHUCGQBS-UHFFFAOYSA-N 1 0 275.327 2.327 10 0 CEAERO CC[C@H](C)[NH+]1CCN(c2cccc(F)c2N)CC1 ZINC000055066634 523960736 /nfs/dbraw/zinc/96/07/36/523960736.db2.gz LJNOUDCZGUSZJM-NSHDSACASA-N 1 0 251.349 2.328 10 0 CEAERO CC[C@H](C)NC(=O)c1ccccc1NC(=O)C(C)(C)[NH2+]C ZINC000061300264 524000915 /nfs/dbraw/zinc/00/09/15/524000915.db2.gz RNCPROIDEIZZHI-NSHDSACASA-N 1 0 291.395 2.151 10 0 CEAERO CC[C@H](C)NC(=O)c1cccc(NC(=O)C[NH2+]C(C)C)c1 ZINC000066215560 524001717 /nfs/dbraw/zinc/00/17/17/524001717.db2.gz DCRDLLQXQAZVIM-LBPRGKRZSA-N 1 0 291.395 2.151 10 0 CEAERO CCc1ccc(OCC[C@@H]([NH3+])C(N)=O)c(C(C)(C)C)c1 ZINC000062546671 524007100 /nfs/dbraw/zinc/00/71/00/524007100.db2.gz AOCMRQIPRKWWSE-CYBMUJFWSA-N 1 0 278.396 2.128 10 0 CEAERO COc1ccc(CN(C)c2ncc(C[NH3+])s2)cc1 ZINC000054897441 524011436 /nfs/dbraw/zinc/01/14/36/524011436.db2.gz GHYVTGGOPRIBCI-UHFFFAOYSA-N 1 0 263.366 2.247 10 0 CEAERO CCc1ccc([C@@H](CN(C)CCCOC)[NH2+]C)cc1 ZINC000062031082 524028081 /nfs/dbraw/zinc/02/80/81/524028081.db2.gz HHCCJPPXMQUYSP-MRXNPFEDSA-N 1 0 264.413 2.478 10 0 CEAERO CCc1ccc([C@@H](COC)[NH2+]C[C@@H](O)COC(C)(C)C)o1 ZINC000184775193 524030953 /nfs/dbraw/zinc/03/09/53/524030953.db2.gz KIRVFQJLZSZAMV-TZMCWYRMSA-N 1 0 299.411 2.295 10 0 CEAERO COc1ccc(CN2CC[NH2+]CC23CCCC3)cc1OC ZINC000068696283 524034724 /nfs/dbraw/zinc/03/47/24/524034724.db2.gz HVEZXIQMQLISKD-UHFFFAOYSA-N 1 0 290.407 2.422 10 0 CEAERO C[NH+](C)CCCNc1cc(C(N)=S)c2ccccc2n1 ZINC000068798652 524057461 /nfs/dbraw/zinc/05/74/61/524057461.db2.gz RAZUDXSLHCICRI-UHFFFAOYSA-N 1 0 288.420 2.233 10 0 CEAERO COc1ccc(C[NH2+]C(C)(C)C)c(OCCCO)c1 ZINC000062733158 524068895 /nfs/dbraw/zinc/06/88/95/524068895.db2.gz QMZNJHAOOMFRRV-UHFFFAOYSA-N 1 0 267.369 2.345 10 0 CEAERO CNC(=O)[C@H](C[NH3+])Cc1ccc(-c2ccccc2)cc1 ZINC000050303812 524102667 /nfs/dbraw/zinc/10/26/67/524102667.db2.gz UTTFWEAUCNMNLT-INIZCTEOSA-N 1 0 268.360 2.217 10 0 CEAERO C[C@H](CCC[NH2+]C1CC1)Oc1cccc(S(C)(=O)=O)c1 ZINC000052701623 524142509 /nfs/dbraw/zinc/14/25/09/524142509.db2.gz VWNJIQGKQFEZTO-GFCCVEGCSA-N 1 0 297.420 2.390 10 0 CEAERO Cc1cccc(-n2nnnc2C[NH2+]CC(C)C)c1C ZINC000054744432 524148624 /nfs/dbraw/zinc/14/86/24/524148624.db2.gz VLTPGHTUMQNTDS-UHFFFAOYSA-N 1 0 259.357 2.025 10 0 CEAERO Cc1cccc(C(=O)CN2CC[NH+](CC(C)C)CC2)c1 ZINC000055080195 524160777 /nfs/dbraw/zinc/16/07/77/524160777.db2.gz YBJNDECBCMRAPK-UHFFFAOYSA-N 1 0 274.408 2.451 10 0 CEAERO C[C@H]1CCC[C@H](C[NH3+])N1Cc1nnc(C(C)(C)C)o1 ZINC000070156505 524194638 /nfs/dbraw/zinc/19/46/38/524194638.db2.gz UZOJHWMSWZPZDV-WDEREUQCSA-N 1 0 266.389 2.069 10 0 CEAERO C[C@H]1CCC[C@H](N(C)CC[NH2+]C[C@@H]2CCCO2)C1 ZINC000053426220 524202359 /nfs/dbraw/zinc/20/23/59/524202359.db2.gz PAHDEGLTHHETMT-KKUMJFAQSA-N 1 0 254.418 2.266 10 0 CEAERO Cc1ccc(C)c([C@@H](C)NC(=O)[C@]2(C)CC[NH2+]C2)c1 ZINC000062893615 524203143 /nfs/dbraw/zinc/20/31/43/524203143.db2.gz VJTLPTTXNVACKN-CZUORRHYSA-N 1 0 260.381 2.480 10 0 CEAERO Cc1cccc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000155751295 524206991 /nfs/dbraw/zinc/20/69/91/524206991.db2.gz JWUFMCXVSRCZLB-DZGCQCFKSA-N 1 0 260.381 2.454 10 0 CEAERO C[C@H]1CCC[C@H]([NH2+]CCN(C)Cc2cnn(C)c2)C1 ZINC000053441226 524208146 /nfs/dbraw/zinc/20/81/46/524208146.db2.gz AEJYSQGUOMUWBV-ZFWWWQNUSA-N 1 0 264.417 2.020 10 0 CEAERO Cc1cc(C)c(C[NH3+])c(Sc2nnc3ccccn32)n1 ZINC000061407135 524261130 /nfs/dbraw/zinc/26/11/30/524261130.db2.gz OIMLZRSTPAJMSF-UHFFFAOYSA-N 1 0 285.376 2.351 10 0 CEAERO C[C@@H]1CCC[NH2+][C@@H]1C(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000051794365 524263240 /nfs/dbraw/zinc/26/32/40/524263240.db2.gz DWLDZIASOXHBJP-MQYQWHSLSA-N 1 0 252.402 2.412 10 0 CEAERO C[C@@H]1CCC[C@@H](C(=O)NCC2CCCCC2)[C@@H]1[NH3+] ZINC000055127175 524267788 /nfs/dbraw/zinc/26/77/88/524267788.db2.gz AOXJSLFEHILZCG-MRVWCRGKSA-N 1 0 252.402 2.446 10 0 CEAERO C[C@@H]1CCC[C@@H](C[NH3+])N1c1ncnc2sccc21 ZINC000070158012 524287547 /nfs/dbraw/zinc/28/75/47/524287547.db2.gz XKXAMADKLPFPMX-ZJUUUORDSA-N 1 0 262.382 2.397 10 0 CEAERO C[C@@H]1CCC[C@@H](C[NH3+])N1c1cc(Cl)ccc1C(N)=O ZINC000070157971 524287819 /nfs/dbraw/zinc/28/78/19/524287819.db2.gz FBQAKDWAQIDHMO-KOLCDFICSA-N 1 0 281.787 2.145 10 0 CEAERO COc1ccccc1-c1noc(C[C@H]2CCC[NH2+]C2)n1 ZINC000054301402 524296386 /nfs/dbraw/zinc/29/63/86/524296386.db2.gz KOZCSRKIYWLWKA-LLVKDONJSA-N 1 0 273.336 2.287 10 0 CEAERO Cc1ccc(CCC(=O)N[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000052946111 524299738 /nfs/dbraw/zinc/29/97/38/524299738.db2.gz HHGXEBFHGYKGCV-CABCVRRESA-N 1 0 260.381 2.314 10 0 CEAERO C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)[C@]1(C)CC[NH2+]C1 ZINC000062894951 524323243 /nfs/dbraw/zinc/32/32/43/524323243.db2.gz NHFHCCUKBXFVCT-JOYOIKCWSA-N 1 0 278.318 2.175 10 0 CEAERO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1cccc(N)c1 ZINC000049502607 524331510 /nfs/dbraw/zinc/33/15/10/524331510.db2.gz CVTWCEDDFOSRAW-GFCCVEGCSA-N 1 0 276.384 2.265 10 0 CEAERO C[C@H](C[NH+]1CCCCC1)N1C(=S)N=NC1C1CC1 ZINC000049502284 524335352 /nfs/dbraw/zinc/33/53/52/524335352.db2.gz WDYDNJMMDDEWHZ-SNVBAGLBSA-N 1 0 266.414 2.491 10 0 CEAERO C[C@@H](CC(N)=[NH2+])N(C)c1cccc(C(F)(F)F)n1 ZINC000063092393 524341239 /nfs/dbraw/zinc/34/12/39/524341239.db2.gz LOBNILUMKJDZRU-ZETCQYMHSA-N 1 0 260.263 2.251 10 0 CEAERO Cc1cccc(CC(=O)N[C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000063210533 524341411 /nfs/dbraw/zinc/34/14/11/524341411.db2.gz USMFPWSCLNHWOT-HUUCEWRRSA-N 1 0 260.381 2.314 10 0 CEAERO C[C@H]1CC[C@@H](CNC(=O)Nc2ccc(F)cc2F)C[NH2+]1 ZINC000062037374 524353671 /nfs/dbraw/zinc/35/36/71/524353671.db2.gz QNXUJQLVMNPZGW-VHSXEESVSA-N 1 0 283.322 2.474 10 0 CEAERO C[C@@H]1CCC[C@H](C)N1C(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000051093479 524361350 /nfs/dbraw/zinc/36/13/50/524361350.db2.gz LNLCENHZWCOMCN-DTORHVGOSA-N 1 0 282.775 2.424 10 0 CEAERO Cc1cccc(CN(C)Cc2cccnc2C(N)=[NH2+])c1 ZINC000061658097 524376703 /nfs/dbraw/zinc/37/67/03/524376703.db2.gz COMJDWOYPODCEZ-UHFFFAOYSA-N 1 0 268.364 2.306 10 0 CEAERO C[C@@H]1CCC[C@H](N(C)C(=O)c2cc[nH+]c(NN)c2)C1 ZINC000051095145 524389410 /nfs/dbraw/zinc/38/94/10/524389410.db2.gz SFABPFBCGQQHIG-PWSUYJOCSA-N 1 0 262.357 2.018 10 0 CEAERO Cc1ccc(CN(C)Cc2ccnc(C(N)=[NH2+])c2)cc1 ZINC000068761062 524396195 /nfs/dbraw/zinc/39/61/95/524396195.db2.gz UHJDXAWQYVJXTN-UHFFFAOYSA-N 1 0 268.364 2.306 10 0 CEAERO Cc1cc(C)cc(N(C)[C@@H](C[NH3+])c2ccncn2)c1 ZINC000070096663 524404741 /nfs/dbraw/zinc/40/47/41/524404741.db2.gz WXMVINCNPPTBSQ-HNNXBMFYSA-N 1 0 256.353 2.230 10 0 CEAERO COc1ccccc1CN(C)CC[NH2+]CC(C)C ZINC000052542247 524435985 /nfs/dbraw/zinc/43/59/85/524435985.db2.gz RINWRRGZYKKHPL-UHFFFAOYSA-N 1 0 250.386 2.373 10 0 CEAERO Cc1cccc(CSCC[C@H]([NH2+]C(C)C)C(N)=O)c1 ZINC000062604127 524460911 /nfs/dbraw/zinc/46/09/11/524460911.db2.gz ZDMGDBOCKPOHET-AWEZNQCLSA-N 1 0 280.437 2.470 10 0 CEAERO C[C@@H]1CCN(C(=O)[C@@H](C[NH3+])c2ccccc2)[C@@H](C)C1 ZINC000061613353 524475016 /nfs/dbraw/zinc/47/50/16/524475016.db2.gz NMRYCYMGGLQYIF-IPYPFGDCSA-N 1 0 260.381 2.376 10 0 CEAERO COc1ccc(NC(=O)CC2CC[NH2+]CC2)cc1C ZINC000049532003 524476481 /nfs/dbraw/zinc/47/64/81/524476481.db2.gz VATAYJXQOJLIPH-UHFFFAOYSA-N 1 0 262.353 2.332 10 0 CEAERO COc1ccc(NC(=O)CC[NH2+]C(C)C)cc1C ZINC000049532036 524479490 /nfs/dbraw/zinc/47/94/90/524479490.db2.gz IUHHKMDCYJCFEA-UHFFFAOYSA-N 1 0 250.342 2.330 10 0 CEAERO C[C@H](C[NH2+]C(C)(C)C)N1CCN(c2nccs2)CC1 ZINC000052417619 524479978 /nfs/dbraw/zinc/47/99/78/524479978.db2.gz SRENBPURABCMSQ-GFCCVEGCSA-N 1 0 282.457 2.042 10 0 CEAERO C[C@@H](CCNC(=O)C[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000061910948 524489374 /nfs/dbraw/zinc/48/93/74/524489374.db2.gz KREVPWMRHAKKET-ZFWWWQNUSA-N 1 0 260.381 2.439 10 0 CEAERO C[C@H](C[NH2+]Cc1cccs1)Sc1nncn1C ZINC000053609458 524489638 /nfs/dbraw/zinc/48/96/38/524489638.db2.gz SWZBGUCAWKCWOU-SECBINFHSA-N 1 0 268.411 2.147 10 0 CEAERO COc1ccccc1N(C)C(=O)[C@@H]1[NH2+]CCC[C@@H]1C ZINC000051813172 524523505 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C[C@@H]1CC[C@H](C[NH3+])CN1Cc1noc(-c2ccccc2)n1 ZINC000070182874 524673164 /nfs/dbraw/zinc/67/31/64/524673164.db2.gz UKYHRRLHHIQXGD-CHWSQXEVSA-N 1 0 286.379 2.296 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C)N1Cc1cccc2cccnc21 ZINC000069134944 524698967 /nfs/dbraw/zinc/69/89/67/524698967.db2.gz BZVDMPIXZPYKRW-STQMWFEESA-N 1 0 255.365 2.417 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C)N1Cc1cc(Cl)c2c(c1)OCCO2 ZINC000069134362 524699536 /nfs/dbraw/zinc/69/95/36/524699536.db2.gz FJDZVNZCRDDDBZ-QWRGUYRKSA-N 1 0 296.798 2.293 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C)N1Cc1nc2ccccc2s1 ZINC000069134263 524699578 /nfs/dbraw/zinc/69/95/78/524699578.db2.gz PLEGFVWVOBUCPK-QWRGUYRKSA-N 1 0 261.394 2.479 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C)N1Cc1ccn(-c2ccccc2)n1 ZINC000069134956 524699764 /nfs/dbraw/zinc/69/97/64/524699764.db2.gz OXVCOKWSRUMLGR-KBPBESRZSA-N 1 0 270.380 2.055 10 0 CEAERO COc1ccccc1S(=O)(=O)[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000068609402 524707195 /nfs/dbraw/zinc/70/71/95/524707195.db2.gz CEAUXNRLCBVCRN-TZMCWYRMSA-N 1 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BPPKUKQQIJDHJN-UHFFFAOYSA-N 1 0 253.367 2.039 10 0 CEAERO Cc1ccc(F)c([C@H]([NH3+])c2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000052981719 524836253 /nfs/dbraw/zinc/83/62/53/524836253.db2.gz QOMAQHBZKOVTNT-CQSZACIVSA-N 1 0 271.295 2.352 10 0 CEAERO C[C@H]([NH3+])Cc1noc(-c2ccccc2OC(F)F)n1 ZINC000054161275 524837090 /nfs/dbraw/zinc/83/70/90/524837090.db2.gz WBXRQEMVIMCLFA-ZETCQYMHSA-N 1 0 269.251 2.228 10 0 CEAERO C[C@H]([NH3+])[C@@H](Sc1ncnc2[nH]cnc21)c1ccco1 ZINC000051036157 524838097 /nfs/dbraw/zinc/83/80/97/524838097.db2.gz JXFGZTHTALJEQA-OIBJUYFYSA-N 1 0 275.337 2.127 10 0 CEAERO Cc1ccc(F)cc1C(=O)NC[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000062665128 524845102 /nfs/dbraw/zinc/84/51/02/524845102.db2.gz SBMIFIMLDJUEFV-NWDGAFQWSA-N 1 0 264.344 2.252 10 0 CEAERO C[C@H]([NH3+])[C@H](Sc1nnc2ccccn21)C(F)(F)F ZINC000061406516 524853470 /nfs/dbraw/zinc/85/34/70/524853470.db2.gz LTUZZSYYCMGTDK-XPUUQOCRSA-N 1 0 276.287 2.100 10 0 CEAERO C[C@H]([NH3+])[C@H](c1cnn(C)c1)n1cc(-c2ccccc2)cn1 ZINC000054960785 524855130 /nfs/dbraw/zinc/85/51/30/524855130.db2.gz JTICTLPQQPESSW-BLLLJJGKSA-N 1 0 281.363 2.220 10 0 CEAERO C[C@@H](C[C@](C)(NC1CC1)C(N)=O)[N@H+](C)C1CCCCCC1 ZINC000068626997 524862503 /nfs/dbraw/zinc/86/25/03/524862503.db2.gz XPFHLXNEFSTVAA-GUYCJALGSA-N 1 0 295.471 2.416 10 0 CEAERO C[C@H]([NH3+])[C@](O)(c1ccc(F)c(F)c1F)C(F)(F)F ZINC000062784775 524862536 /nfs/dbraw/zinc/86/25/36/524862536.db2.gz YESHPFDKCCHYAN-IGJIYHIXSA-N 1 0 273.176 2.201 10 0 CEAERO C[C@H]([NH3+])c1ccc(F)cc1OC[C@H](O)C(F)(F)F ZINC000068877951 524864232 /nfs/dbraw/zinc/86/42/32/524864232.db2.gz VYDUFZKEEOZDLZ-WKEGUHRASA-N 1 0 267.222 2.147 10 0 CEAERO C[C@H]([NH3+])c1ccc(F)cc1OCCCC(=O)N(C)C ZINC000062745302 524865022 /nfs/dbraw/zinc/86/50/22/524865022.db2.gz GHXZEYSIXWPXOS-JTQLQIEISA-N 1 0 268.332 2.093 10 0 CEAERO Cc1ccc(F)cc1[C@](O)([C@H](C)[NH3+])C(F)(F)F ZINC000062784366 524875193 /nfs/dbraw/zinc/87/51/93/524875193.db2.gz MLCOAQDFFIEFQN-OIBJUYFYSA-N 1 0 251.223 2.231 10 0 CEAERO Cc1ccc(N(C)C[C@@H](O)C[NH2+]C(C)C)c(C)c1 ZINC000049985851 524885625 /nfs/dbraw/zinc/88/56/25/524885625.db2.gz CYMKQRUNRMLHRP-AWEZNQCLSA-N 1 0 250.386 2.099 10 0 CEAERO Cc1ccc(N)c(C(=O)N2CC[NH+](C(C)(C)C)CC2)c1 ZINC000053005131 524901769 /nfs/dbraw/zinc/90/17/69/524901769.db2.gz LCZGVSODJVVVQZ-UHFFFAOYSA-N 1 0 275.396 2.134 10 0 CEAERO C[C@H]1Cc2ccccc2N1C(=O)C1(C)CC[NH2+]CC1 ZINC000062839561 524989002 /nfs/dbraw/zinc/98/90/02/524989002.db2.gz YGRCSXNHQVVMEO-LBPRGKRZSA-N 1 0 258.365 2.354 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1ccccc1F)N1CCC[C@@H]1CCCO ZINC000052757576 525005477 /nfs/dbraw/zinc/00/54/77/525005477.db2.gz ORSXLDSZVIORON-IOASZLSFSA-N 1 0 280.387 2.451 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1ccccn1)n1ncc2ccccc21 ZINC000050524233 525006579 /nfs/dbraw/zinc/00/65/79/525006579.db2.gz GQFDQRUWBZYUPL-ABAIWWIYSA-N 1 0 252.321 2.368 10 0 CEAERO Cc1ccccc1-c1noc(CN2[C@H](C)C[NH2+]C[C@H]2C)n1 ZINC000069134651 525018155 /nfs/dbraw/zinc/01/81/55/525018155.db2.gz JWQBEBQGZDTYCQ-CHWSQXEVSA-N 1 0 286.379 2.227 10 0 CEAERO Cc1cc(N)cnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000052812943 525039251 /nfs/dbraw/zinc/03/92/51/525039251.db2.gz RQIAFDHBPLIORJ-UHFFFAOYSA-N 1 0 274.412 2.427 10 0 CEAERO Cc1ccc(NC(=O)C[NH2+][C@@H](CC(C)C)CN(C)C)cc1 ZINC000049556010 525062019 /nfs/dbraw/zinc/06/20/19/525062019.db2.gz RLDWOOCARASBCW-INIZCTEOSA-N 1 0 291.439 2.499 10 0 CEAERO C[C@@H](NC(=O)C1CCC([NH3+])CC1)c1ccsc1 ZINC000061366281 525066130 /nfs/dbraw/zinc/06/61/30/525066130.db2.gz ADKWMLDMYGOTSA-GRZMOONWSA-N 1 0 252.383 2.443 10 0 CEAERO C[C@@H]1CN(c2ncc(C[NH2+]C(C)(C)C)s2)CCO1 ZINC000054900791 525073974 /nfs/dbraw/zinc/07/39/74/525073974.db2.gz WAGQLJLMJSQRSV-SNVBAGLBSA-N 1 0 269.414 2.256 10 0 CEAERO C[C@@H]1CN(c2nc3c(s2)[C@H]([NH3+])CCC3)C[C@@H](C)O1 ZINC000054864258 525074135 /nfs/dbraw/zinc/07/41/35/525074135.db2.gz OZJADPGQYOVEHT-OPRDCNLKSA-N 1 0 267.398 2.093 10 0 CEAERO C[C@@H](NC(=O)CCC1CC[NH2+]CC1)c1cccnc1 ZINC000050942055 525083899 /nfs/dbraw/zinc/08/38/99/525083899.db2.gz HRSZWUWBENNNEQ-GFCCVEGCSA-N 1 0 261.369 2.039 10 0 CEAERO Cc1cc(N2CCSC[C@@H]2C)ccc1CC[NH3+] ZINC000070222402 525087562 /nfs/dbraw/zinc/08/75/62/525087562.db2.gz GIFJBUVMQJKLST-LBPRGKRZSA-N 1 0 250.411 2.438 10 0 CEAERO Cc1ccccc1CC(=O)N1[C@H](C)CCC[C@H]1C[NH3+] ZINC000070152288 525095659 /nfs/dbraw/zinc/09/56/59/525095659.db2.gz YRGOTCYDYGCJON-HIFRSBDPSA-N 1 0 260.381 2.266 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C)N1C(=O)CCCc1ccccc1 ZINC000069133101 525095564 /nfs/dbraw/zinc/09/55/64/525095564.db2.gz GPCJJNBXCPNVET-ZIAGYGMSSA-N 1 0 260.381 2.218 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C)N1C(=O)C(C)(C)c1ccccc1 ZINC000069133372 525095780 /nfs/dbraw/zinc/09/57/80/525095780.db2.gz VWXSCBFGEFUSEC-CHWSQXEVSA-N 1 0 260.381 2.173 10 0 CEAERO Cc1ccccc1CC(=O)NC[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000062036903 525096178 /nfs/dbraw/zinc/09/61/78/525096178.db2.gz LSAMGCXRVUFDSS-ZIAGYGMSSA-N 1 0 260.381 2.042 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C)N1C(=O)c1ccc(Cl)cc1F ZINC000069133275 525097134 /nfs/dbraw/zinc/09/71/34/525097134.db2.gz ZQDCSYHMOMQQLX-RKDXNWHRSA-N 1 0 270.735 2.302 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CC[C@@H](C)[NH2+]C1)c1cccc(F)c1 ZINC000049532350 525145399 /nfs/dbraw/zinc/14/53/99/525145399.db2.gz AAWUZYJHPAIJLY-NTZNESFSSA-N 1 0 264.344 2.391 10 0 CEAERO COc1ccc([C@@H](C[NH3+])N2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000050596416 525179232 /nfs/dbraw/zinc/17/92/32/525179232.db2.gz PHIFOCATIACCDV-VNHYZAJKSA-N 1 0 278.396 2.113 10 0 CEAERO C[C@]1(C(=O)N(Cc2ccccc2F)C2CC2)CC[NH2+]C1 ZINC000062894683 525190551 /nfs/dbraw/zinc/19/05/51/525190551.db2.gz MPBKJPRQRVCDFF-INIZCTEOSA-N 1 0 276.355 2.316 10 0 CEAERO COc1ccc([C@@H]([NH3+])c2cccnc2OC)c(C)c1 ZINC000061443298 525192916 /nfs/dbraw/zinc/19/29/16/525192916.db2.gz WHFVFCKNXNDPGA-CQSZACIVSA-N 1 0 258.321 2.455 10 0 CEAERO Cc1ccccc1N(CCC[NH3+])Cc1cnn(C)c1 ZINC000050539150 525218862 /nfs/dbraw/zinc/21/88/62/525218862.db2.gz LUXFMMARFYUICU-UHFFFAOYSA-N 1 0 258.369 2.084 10 0 CEAERO Cc1ccccc1N(CCC[NH3+])CCC(=O)NC(C)C ZINC000054047880 525219789 /nfs/dbraw/zinc/21/97/89/525219789.db2.gz VJFGDAJUJBQXAJ-UHFFFAOYSA-N 1 0 277.412 2.065 10 0 CEAERO C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CCCO1 ZINC000155680932 525228344 /nfs/dbraw/zinc/22/83/44/525228344.db2.gz DCVOZIHWHXEPNB-WFASDCNBSA-N 1 0 276.380 2.046 10 0 CEAERO Cc1ccccc1NC(=O)CN[C@@H](C)C[NH+]1CCCC1 ZINC000049180367 525238359 /nfs/dbraw/zinc/23/83/59/525238359.db2.gz XFHFQAOUKDOATF-AWEZNQCLSA-N 1 0 275.396 2.007 10 0 CEAERO Cc1ccccc1NC(=O)C[NH2+][C@H](CC(C)C)CN(C)C ZINC000049556015 525239356 /nfs/dbraw/zinc/23/93/56/525239356.db2.gz FADDWHBQXUOJLA-OAHLLOKOSA-N 1 0 291.439 2.499 10 0 CEAERO Cc1cc(NCC[NH+]2CCCCC2)nc(Cl)n1 ZINC000052814696 525269543 /nfs/dbraw/zinc/26/95/43/525269543.db2.gz IDAKTTGESQXUBO-UHFFFAOYSA-N 1 0 254.765 2.336 10 0 CEAERO Cc1ccc(NCC[N@H+]2CCC[C@H]2CN(C)C)cc1 ZINC000061655253 525278697 /nfs/dbraw/zinc/27/86/97/525278697.db2.gz NOVVISIBZNNZSC-INIZCTEOSA-N 1 0 261.413 2.433 10 0 CEAERO C[C@@H](NC(=O)[C@H](C)C1C[NH2+]C1)c1ccc(Cl)s1 ZINC000163991529 525279894 /nfs/dbraw/zinc/27/98/94/525279894.db2.gz GCLYXKATTCZWQT-HTQZYQBOSA-N 1 0 272.801 2.434 10 0 CEAERO Cc1cc(N[C@H](C[NH+](C)C)C(C)C)nc(Cl)n1 ZINC000052814633 525301645 /nfs/dbraw/zinc/30/16/45/525301645.db2.gz KCDRRKRKNUEOGA-SNVBAGLBSA-N 1 0 256.781 2.437 10 0 CEAERO C[C@@H]([NH2+]CCC(=O)OCc1ccccc1)[C@@H]1CCCO1 ZINC000183146942 525428013 /nfs/dbraw/zinc/42/80/13/525428013.db2.gz FYLMHSRATWDOEH-HIFRSBDPSA-N 1 0 277.364 2.277 10 0 CEAERO Cc1ccccc1[C@H]1[C@@H](C[NH2+]C(C)C)OCCN1C ZINC000070287507 525448730 /nfs/dbraw/zinc/44/87/30/525448730.db2.gz FCPLJAKAQRJBRK-CVEARBPZSA-N 1 0 262.397 2.365 10 0 CEAERO Cc1nc[nH]c1C[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000054795431 525463674 /nfs/dbraw/zinc/46/36/74/525463674.db2.gz NTHHCJBSAIONOL-OAHLLOKOSA-N 1 0 270.380 2.082 10 0 CEAERO CSCCC[NH2+]Cc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000069443441 525480596 /nfs/dbraw/zinc/48/05/96/525480596.db2.gz LBSLBUCPEAXSAR-UHFFFAOYSA-N 1 0 297.449 2.444 10 0 CEAERO Cc1cccnc1C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063188792 525486075 /nfs/dbraw/zinc/48/60/75/525486075.db2.gz VBJGONKUYIEAOY-KBPBESRZSA-N 1 0 273.380 2.137 10 0 CEAERO CSCC[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000069000698 525510763 /nfs/dbraw/zinc/51/07/63/525510763.db2.gz OAOXEUAJOPIVIU-LLVKDONJSA-N 1 0 290.226 2.435 10 0 CEAERO CSC[C@@H](C)C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000069448025 525621465 /nfs/dbraw/zinc/62/14/65/525621465.db2.gz KDMKSIWFCNVUOZ-GWCFXTLKSA-N 1 0 257.374 2.448 10 0 CEAERO Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)[C@H]1CC[NH2+]C1 ZINC000062114169 525626736 /nfs/dbraw/zinc/62/67/36/525626736.db2.gz JDTSSRSBSGHMPM-AAEUAGOBSA-N 1 0 276.380 2.327 10 0 CEAERO CSC[C@H](C)C[NH2+]C1CCC2(CC1)OCCO2 ZINC000069439639 525681226 /nfs/dbraw/zinc/68/12/26/525681226.db2.gz XUXIVWCHDCXPPQ-LLVKDONJSA-N 1 0 259.415 2.261 10 0 CEAERO Cc1ccc([C@@H](O)CC[NH2+]C[C@@H]2CCCO2)c(C)c1 ZINC000049854655 525777647 /nfs/dbraw/zinc/77/76/47/525777647.db2.gz OULHKXSZTGQSQM-HOCLYGCPSA-N 1 0 263.381 2.496 10 0 CEAERO Cc1c(N)cccc1C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000049550942 525818837 /nfs/dbraw/zinc/81/88/37/525818837.db2.gz LIOLVGQADHRBEC-CYBMUJFWSA-N 1 0 277.412 2.283 10 0 CEAERO COc1cccc(C(=O)Nc2cc(C[NH3+])ccc2C)c1O ZINC000050430644 525831377 /nfs/dbraw/zinc/83/13/77/525831377.db2.gz IWTBBVBLPQRPGY-UHFFFAOYSA-N 1 0 286.331 2.420 10 0 CEAERO Cc1ccc(-c2nnc(CN3[C@H](C)C[NH2+]C[C@@H]3C)o2)cc1 ZINC000069134772 525844465 /nfs/dbraw/zinc/84/44/65/525844465.db2.gz PPBNRBPBWBBPHV-BETUJISGSA-N 1 0 286.379 2.227 10 0 CEAERO C[C@H](O)c1c(F)cccc1N1CCC[C@@H]1C[NH+](C)C ZINC000061645488 525852226 /nfs/dbraw/zinc/85/22/26/525852226.db2.gz VOFBJPARWDBHTL-NWDGAFQWSA-N 1 0 266.360 2.409 10 0 CEAERO COc1cccc(CN(C)C(=O)C[C@@H]2CCCC[NH2+]2)c1 ZINC000048895010 525906945 /nfs/dbraw/zinc/90/69/45/525906945.db2.gz ZXNOXDSVEVJEFL-AWEZNQCLSA-N 1 0 276.380 2.186 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@](C)([NH3+])C2CC2)s1 ZINC000049185491 525908814 /nfs/dbraw/zinc/90/88/14/525908814.db2.gz CGNJQNKMHQMHQX-TVQRCGJNSA-N 1 0 252.383 2.361 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)c2cc[nH+]c(NN)c2)cc1 ZINC000051119534 525913032 /nfs/dbraw/zinc/91/30/32/525913032.db2.gz KKSLOLFVBFHHFV-NSHDSACASA-N 1 0 270.336 2.167 10 0 CEAERO C[C@H](C(=O)N1CC[C@H]([NH+](C)C)C1)c1cn(C)c2ccccc12 ZINC000185304403 525997303 /nfs/dbraw/zinc/99/73/03/525997303.db2.gz UHRWCKKNPDIDHK-KBPBESRZSA-N 1 0 299.418 2.444 10 0 CEAERO Cc1ccc(C(=O)C[N@@H+]2CCC[C@H]2CCCO)cc1 ZINC000052761231 526047933 /nfs/dbraw/zinc/04/79/33/526047933.db2.gz GVVMDSJAQLTHBK-HNNXBMFYSA-N 1 0 261.365 2.415 10 0 CEAERO Cc1cnc(NC(=O)CC[C@H]2CCCC[NH2+]2)s1 ZINC000050939963 526077060 /nfs/dbraw/zinc/07/70/60/526077060.db2.gz ZHESMZXSHHLXTN-SNVBAGLBSA-N 1 0 253.371 2.312 10 0 CEAERO Cc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000051358328 526100395 /nfs/dbraw/zinc/10/03/95/526100395.db2.gz CVHCLEXZJBOLIR-HUUCEWRRSA-N 1 0 258.365 2.352 10 0 CEAERO Cc1cnc(SCc2[nH+]c(NN)ccc2Cl)nc1 ZINC000061640259 526103463 /nfs/dbraw/zinc/10/34/63/526103463.db2.gz PWYKMBGSWQTMQS-UHFFFAOYSA-N 1 0 281.772 2.411 10 0 CEAERO Cc1ccc2c(c1)CCCN2C(=O)c1ccc(NN)[nH+]c1 ZINC000051092541 526144240 /nfs/dbraw/zinc/14/42/40/526144240.db2.gz ULPOZSSKASOFLK-UHFFFAOYSA-N 1 0 282.347 2.269 10 0 CEAERO C[C@H](c1ccncc1)N(C)C(=O)[C@](C)([NH3+])c1ccccc1 ZINC000052882310 526159404 /nfs/dbraw/zinc/15/94/04/526159404.db2.gz HPOUATNQFLKGNF-CXAGYDPISA-N 1 0 283.375 2.475 10 0 CEAERO C[C@H](c1nncn1C)n1ccc2c1CC(C)(C)C[C@@H]2[NH3+] ZINC000050422289 526190070 /nfs/dbraw/zinc/19/00/70/526190070.db2.gz OFOOOVDWWJGFTR-PWSUYJOCSA-N 1 0 273.384 2.198 10 0 CEAERO C[C@H](c1nncn1C)n1ccc2c1CC(C)(C)C[C@H]2[NH3+] ZINC000050422292 526190325 /nfs/dbraw/zinc/19/03/25/526190325.db2.gz OFOOOVDWWJGFTR-ZYHUDNBSSA-N 1 0 273.384 2.198 10 0 CEAERO C[C@H](C(=O)c1ccccc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062981489 526192400 /nfs/dbraw/zinc/19/24/00/526192400.db2.gz LYMAOYKAVGPYAX-ZBFHGGJFSA-N 1 0 272.392 2.428 10 0 CEAERO C[C@H]1CC=CC[C@@H]1COCC[NH2+]C1CCOCC1 ZINC000062768042 526235861 /nfs/dbraw/zinc/23/58/61/526235861.db2.gz JAUSTVKOOOZBAM-UONOGXRCSA-N 1 0 253.386 2.374 10 0 CEAERO COc1cccc(O[C@@H](C)C[C@@](C)([NH2+]C(C)C)C(N)=O)c1 ZINC000068655595 526238989 /nfs/dbraw/zinc/23/89/89/526238989.db2.gz LMXFFIPUQPCVLD-BLLLJJGKSA-N 1 0 294.395 2.095 10 0 CEAERO Cc1ccc2nc(C[N@@H+]3CCC[C@H]3CCCO)cn2c1 ZINC000052763068 526247631 /nfs/dbraw/zinc/24/76/31/526247631.db2.gz QBWRDRKCYXZJNH-HNNXBMFYSA-N 1 0 273.380 2.380 10 0 CEAERO C[C@H]1CCCC[C@@H]1NC(=O)C1CCC(C[NH3+])CC1 ZINC000055145758 526256913 /nfs/dbraw/zinc/25/69/13/526256913.db2.gz RJALPCAQQMQFGY-ABXWRUBCSA-N 1 0 252.402 2.446 10 0 CEAERO C[C@H]1CCCC[C@H]1OC(=O)[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000048633780 526262431 /nfs/dbraw/zinc/26/24/31/526262431.db2.gz QMRBBLHIHFVZHA-CWRNSKLLSA-N 1 0 294.439 2.325 10 0 CEAERO Cc1cnn(C[C@H]2CC[C@H](C[NH2+]C(C)(C)C)O2)c1 ZINC000052576995 526264629 /nfs/dbraw/zinc/26/46/29/526264629.db2.gz BOUAUMVLZRQSIS-CHWSQXEVSA-N 1 0 251.374 2.127 10 0 CEAERO Cc1cc(C(=O)NCC[NH+](C(C)C)C(C)C)ccc1NN ZINC000063058723 526267175 /nfs/dbraw/zinc/26/71/75/526267175.db2.gz OPNCOCPNLXMGFJ-UHFFFAOYSA-N 1 0 292.427 2.129 10 0 CEAERO O[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000061674826 526301801 /nfs/dbraw/zinc/30/18/01/526301801.db2.gz JJFWFLUQRSVOAF-STQMWFEESA-N 1 0 263.337 2.199 10 0 CEAERO Cc1csc(CNC[C@H]2Cc3ccccc3C[NH2+]2)n1 ZINC000049539147 526358630 /nfs/dbraw/zinc/35/86/30/526358630.db2.gz YZICOAAAGZXYBM-CQSZACIVSA-N 1 0 273.405 2.256 10 0 CEAERO Cc1csc(SCc2cccnc2C(N)=[NH2+])n1 ZINC000061658959 526399697 /nfs/dbraw/zinc/39/96/97/526399697.db2.gz HKTAMRVAKQQTCY-UHFFFAOYSA-N 1 0 264.379 2.423 10 0 CEAERO c1c2ccccc2oc1-c1noc([C@@H]2C[NH2+]CCO2)n1 ZINC000062797155 526403408 /nfs/dbraw/zinc/40/34/08/526403408.db2.gz UKCKQBICQHUODC-LBPRGKRZSA-N 1 0 271.276 2.144 10 0 CEAERO O=C(CCC1CC[NH2+]CC1)N1CCC[C@H]1c1ccc[nH]1 ZINC000050947426 526409945 /nfs/dbraw/zinc/40/99/45/526409945.db2.gz XGQXFZMGOUPRNL-HNNXBMFYSA-N 1 0 275.396 2.458 10 0 CEAERO c1ccc(OCCOC[C@@H]2CC[C@H](C[NH2+]C3CC3)O2)cc1 ZINC000052628541 526486088 /nfs/dbraw/zinc/48/60/88/526486088.db2.gz ZGSWMHBVOWPVKX-SJORKVTESA-N 1 0 291.391 2.382 10 0 CEAERO O=C(CC[C@@H]1CCCC[NH2+]1)NCCc1ccccc1F ZINC000050939618 526546931 /nfs/dbraw/zinc/54/69/31/526546931.db2.gz WZLNVXRVUVLZKX-AWEZNQCLSA-N 1 0 278.371 2.407 10 0 CEAERO O=C(CC[C@@H]1CCCC[NH2+]1)NC[C@@H]1Cc2ccccc2O1 ZINC000050948169 526548528 /nfs/dbraw/zinc/54/85/28/526548528.db2.gz LJACZIUNTXKUIH-GJZGRUSLSA-N 1 0 288.391 2.029 10 0 CEAERO c1ncn(-c2cc(C[NH2+]C3CC3)c3ccccc3n2)n1 ZINC000051489622 526613317 /nfs/dbraw/zinc/61/33/17/526613317.db2.gz DIMWCTFJJBSGSG-UHFFFAOYSA-N 1 0 265.320 2.068 10 0 CEAERO Cc1nc(-c2cnccn2)nc(C)c1CC[NH2+]C(C)C ZINC000054853825 526620455 /nfs/dbraw/zinc/62/04/55/526620455.db2.gz RNIYTDFHOLKLJA-UHFFFAOYSA-N 1 0 271.368 2.091 10 0 CEAERO Cc1nc(-c2cnccn2)nc(C)c1CCC[NH2+]C1CC1 ZINC000054837806 526620464 /nfs/dbraw/zinc/62/04/64/526620464.db2.gz QTPNJGKLSSATFX-UHFFFAOYSA-N 1 0 283.379 2.235 10 0 CEAERO c1nnc([C@H]2CCCN2C2CC[NH2+]CC2)n1C1CCCC1 ZINC000054526379 526622325 /nfs/dbraw/zinc/62/23/25/526622325.db2.gz NZBPGJACWUOCJF-OAHLLOKOSA-N 1 0 289.427 2.282 10 0 CEAERO Cc1nc(-c2ncccn2)nc(C)c1[C@@H](C)C[NH2+]C1CC1 ZINC000054855048 526625134 /nfs/dbraw/zinc/62/51/34/526625134.db2.gz HWSURHKMOLIFCH-JTQLQIEISA-N 1 0 283.379 2.406 10 0 CEAERO O=C(c1ccc(O)cc1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063189430 526702910 /nfs/dbraw/zinc/70/29/10/526702910.db2.gz AQEDGIGFLPBUMW-GJZGRUSLSA-N 1 0 274.364 2.139 10 0 CEAERO O=C(c1ccc2c(c1)C[NH2+]C2)N1CCc2ccccc21 ZINC000156645056 526723981 /nfs/dbraw/zinc/72/39/81/526723981.db2.gz LFYRAMADPHTQJW-UHFFFAOYSA-N 1 0 264.328 2.493 10 0 CEAERO NC(=[NH2+])C[C@H](Sc1nnnn1C1CC1)c1ccccc1 ZINC000055024156 526817361 /nfs/dbraw/zinc/81/73/61/526817361.db2.gz MCJFFJTXRZDFAT-NSHDSACASA-N 1 0 288.380 2.167 10 0 CEAERO NC(=[NH2+])c1c(Cl)cccc1N1CCCC[C@@H]1CCO ZINC000052904759 526819635 /nfs/dbraw/zinc/81/96/35/526819635.db2.gz FQNUWWLJNCGWGI-SNVBAGLBSA-N 1 0 281.787 2.365 10 0 CEAERO NC(=[NH2+])c1cc2c(nc1-n1ncc3ccccc31)CCC2 ZINC000050526155 526821729 /nfs/dbraw/zinc/82/17/29/526821729.db2.gz KIBCYDDXAMXFQB-UHFFFAOYSA-N 1 0 277.331 2.193 10 0 CEAERO NC(=[NH2+])c1cc2c(nc1N1Cc3ccccc3C1)CCC2 ZINC000050911410 526821875 /nfs/dbraw/zinc/82/18/75/526821875.db2.gz MAMGPUWDLJODAA-UHFFFAOYSA-N 1 0 278.359 2.375 10 0 CEAERO Cc1occc1CN(C)Cc1csc(C[NH3+])n1 ZINC000052346554 526826343 /nfs/dbraw/zinc/82/63/43/526826343.db2.gz QARZRSHWYYWYAJ-UHFFFAOYSA-N 1 0 251.355 2.135 10 0 CEAERO Cc1nc(CN2CC[C@@H](C[NH2+]C(C)C)C2)cs1 ZINC000053032303 526870199 /nfs/dbraw/zinc/87/01/99/526870199.db2.gz ABXCRAROKIHGCO-LBPRGKRZSA-N 1 0 253.415 2.271 10 0 CEAERO Cc1ncc(C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)[nH]1 ZINC000054821959 526890714 /nfs/dbraw/zinc/89/07/14/526890714.db2.gz QQDNQWSTHDDVAD-JTQLQIEISA-N 1 0 273.336 2.340 10 0 CEAERO Cc1nc(COc2ccc3c(c2)OC[C@H]3[NH3+])cs1 ZINC000062803756 526908390 /nfs/dbraw/zinc/90/83/90/526908390.db2.gz GPEIHKPLKUWIFV-GFCCVEGCSA-N 1 0 262.334 2.423 10 0 CEAERO Cc1nc(Cc2ccccn2)nc(C)c1CC[NH2+]C1CC1 ZINC000054853863 526928770 /nfs/dbraw/zinc/92/87/70/526928770.db2.gz ULZINLIHTXRNRG-UHFFFAOYSA-N 1 0 282.391 2.374 10 0 CEAERO Cc1nc(Cc2ncc(C[NH2+]C3CC3)cn2)cs1 ZINC000055296850 526929130 /nfs/dbraw/zinc/92/91/30/526929130.db2.gz XCJOCMKXXXQUJR-UHFFFAOYSA-N 1 0 260.366 2.084 10 0 CEAERO Cc1nc(Cl)cc(N[C@H](C[NH+](C)C)C(C)C)n1 ZINC000052836745 526935667 /nfs/dbraw/zinc/93/56/67/526935667.db2.gz QFCLLRLMZDDKHK-SNVBAGLBSA-N 1 0 256.781 2.437 10 0 CEAERO O=C1CCCc2ccccc2N1CCC[NH2+]C1CC1 ZINC000048785051 526986433 /nfs/dbraw/zinc/98/64/33/526986433.db2.gz MVKANHJBTVEEOT-UHFFFAOYSA-N 1 0 258.365 2.498 10 0 CEAERO NC(=O)c1c(Cl)cccc1N1C[C@@H]2C[C@H]([NH3+])CC[C@@H]2C1 ZINC000052905820 527018637 /nfs/dbraw/zinc/01/86/37/527018637.db2.gz ASDWEKXWBMBVCM-OUAUKWLOSA-N 1 0 293.798 2.003 10 0 CEAERO NC(=S)c1ccc(OCC[NH+]2CCCC2)c(Cl)c1 ZINC000062796457 527120322 /nfs/dbraw/zinc/12/03/22/527120322.db2.gz AJNSYSFRYBFRRN-UHFFFAOYSA-N 1 0 284.812 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[NH3+]CC[C@H]1CCC[C@@H](C(=O)NCCC(F)(F)F)C1 ZINC000063103099 527195667 /nfs/dbraw/zinc/19/56/67/527195667.db2.gz ZUOXDLVTPSVXRR-NXEZZACHSA-N 1 0 266.307 2.210 10 0 CEAERO [NH3+]CCc1ccnc(-c2ccc(F)cc2Cl)n1 ZINC000061847696 527198117 /nfs/dbraw/zinc/19/81/17/527198117.db2.gz JHELMIADROBUAB-UHFFFAOYSA-N 1 0 251.692 2.437 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H](C(=O)NCCC2CCCC2)C1 ZINC000055148114 527215079 /nfs/dbraw/zinc/21/50/79/527215079.db2.gz KAWKJVIAVUTKHC-KGLIPLIRSA-N 1 0 252.402 2.448 10 0 CEAERO [NH3+]C[C@@H]1C[C@@H]1c1cc(Br)c2c(c1)OCCO2 ZINC000054586946 527220486 /nfs/dbraw/zinc/22/04/86/527220486.db2.gz ZBFRLLHVNDLLBG-DTWKUNHWSA-N 1 0 284.153 2.283 10 0 CEAERO [NH3+]C[C@H](c1ccncc1)n1cc(-c2ccccc2)cn1 ZINC000054960969 527229850 /nfs/dbraw/zinc/22/98/50/527229850.db2.gz YNUMWVJYCHQXGH-MRXNPFEDSA-N 1 0 264.332 2.493 10 0 CEAERO [NH3+]C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCOC1 ZINC000054637609 527242942 /nfs/dbraw/zinc/24/29/42/527242942.db2.gz FSNSIIYFPWDICC-GFCCVEGCSA-N 1 0 275.270 2.493 10 0 CEAERO [NH3+]Cc1cc(COc2ccc3c(c2)CCC(=O)N3)ccn1 ZINC000068751185 527247262 /nfs/dbraw/zinc/24/72/62/527247262.db2.gz CVUHBQYJEDJAFK-UHFFFAOYSA-N 1 0 283.331 2.004 10 0 CEAERO [NH3+]Cc1cnn(Cc2ccc(F)cc2Br)c1 ZINC000054716754 527263494 /nfs/dbraw/zinc/26/34/94/527263494.db2.gz ZCCRYVSGJVCGNR-UHFFFAOYSA-N 1 0 284.132 2.292 10 0 CEAERO [NH3+]Cc1ncccc1CN1C(=O)CCc2ccc(F)cc21 ZINC000061657022 527266026 /nfs/dbraw/zinc/26/60/26/527266026.db2.gz BKVPEDRWNVAQOA-UHFFFAOYSA-N 1 0 285.322 2.159 10 0 CEAERO NNc1cc(C(=O)NCCC2CCCCC2)cc[nH+]1 ZINC000051091630 527273166 /nfs/dbraw/zinc/27/31/66/527273166.db2.gz YXPWZRCVWLTNMJ-UHFFFAOYSA-N 1 0 262.357 2.067 10 0 CEAERO [NH3+][C@@H](Cc1csc(N2CCOCC2)n1)c1ccccc1 ZINC000054864151 527337169 /nfs/dbraw/zinc/33/71/69/527337169.db2.gz RSXPSVVFVRBKBV-AWEZNQCLSA-N 1 0 289.404 2.222 10 0 CEAERO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)c1ccc2c(c1)OCCO2 ZINC000054685712 527338213 /nfs/dbraw/zinc/33/82/13/527338213.db2.gz XACWOWNLTHNERY-YOEHRIQHSA-N 1 0 285.343 2.061 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1NC(=O)CCCc1cccs1 ZINC000063173131 527359012 /nfs/dbraw/zinc/35/90/12/527359012.db2.gz QXHXVYYRYDVNTB-VXGBXAGGSA-N 1 0 252.383 2.067 10 0 CEAERO [NH3+][C@H](C(=O)Nc1ccc2c[nH]nc2c1)c1ccccc1 ZINC000057702977 527382786 /nfs/dbraw/zinc/38/27/86/527382786.db2.gz IIMOJYZGUVRNPG-AWEZNQCLSA-N 1 0 266.304 2.201 10 0 CEAERO [NH3+][C@H](c1cc(Cl)sc1Cl)[C@H]1COCCO1 ZINC000055299147 527391480 /nfs/dbraw/zinc/39/14/80/527391480.db2.gz YSGRDYIXINLHID-HTRCEHHLSA-N 1 0 268.165 2.470 10 0 CEAERO [NH3+][C@H]1CCc2c1cccc2OCC(=O)N1CCCCC1 ZINC000062798844 527416686 /nfs/dbraw/zinc/41/66/86/527416686.db2.gz RBCNHUCRFZEOFL-AWEZNQCLSA-N 1 0 274.364 2.024 10 0 CEAERO Cc1ncsc1-c1nc(C[C@@H]2CCC[NH2+]C2)no1 ZINC000063084500 527472234 /nfs/dbraw/zinc/47/22/34/527472234.db2.gz YPBLQAQBWBAVKS-VIFPVBQESA-N 1 0 264.354 2.044 10 0 CEAERO Cc1nn(-c2nc(C)ccc2C[NH3+])c(C)c1Cl ZINC000050585742 527568927 /nfs/dbraw/zinc/56/89/27/527568927.db2.gz QGCDFQVPDKLPIB-UHFFFAOYSA-N 1 0 250.733 2.305 10 0 CEAERO Cc1nn(C)c(-n2ccc(C3CC3)n2)c1C[NH2+]C1CC1 ZINC000052884824 527597208 /nfs/dbraw/zinc/59/72/08/527597208.db2.gz ZAWGWRQXMJCSGM-UHFFFAOYSA-N 1 0 271.368 2.044 10 0 CEAERO OC[C@H]1CCCC[C@H]1[NH2+]Cc1cncc(Br)c1 ZINC000183716142 527614960 /nfs/dbraw/zinc/61/49/60/527614960.db2.gz BGVCPNGJNJRQDA-DGCLKSJQSA-N 1 0 299.212 2.485 10 0 CEAERO FC(F)(F)CN(C[C@@H]1CC[C@@H](C[NH2+]C2CC2)O1)C1CC1 ZINC000052503630 527666467 /nfs/dbraw/zinc/66/64/67/527666467.db2.gz LWIDGKBKONKVFV-STQMWFEESA-N 1 0 292.345 2.313 10 0 CEAERO O[C@@H](c1ccccc1Br)[C@@H]1CCC[NH2+]1 ZINC000069843632 527666936 /nfs/dbraw/zinc/66/69/36/527666936.db2.gz XRRRKHHXHDZXAL-QWRGUYRKSA-N 1 0 256.143 2.235 10 0 CEAERO FC(F)(F)CO[C@@H]1CCC[C@H]([NH2+]Cc2cnccn2)C1 ZINC000054766388 527671527 /nfs/dbraw/zinc/67/15/27/527671527.db2.gz SKERBUGKCTUALI-CMPLNLGQSA-N 1 0 289.301 2.456 10 0 CEAERO CC(C)CC(C)(C)CNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000175915739 527677934 /nfs/dbraw/zinc/67/79/34/527677934.db2.gz VLGBNCQJWPZMGL-ZDUSSCGKSA-N 1 0 269.433 2.404 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)CCc2ccc(F)cc2F)C1 ZINC000178535902 529051762 /nfs/dbraw/zinc/05/17/62/529051762.db2.gz XMDYBQTXAXWNDY-CQSZACIVSA-N 1 0 296.361 2.498 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)[C@@H](C)C2(C)CC2)C1 ZINC000176440036 529054750 /nfs/dbraw/zinc/05/47/50/529054750.db2.gz INIUEDUJLPHQJJ-QWHCGFSZSA-N 1 0 267.417 2.301 10 0 CEAERO CC[N@@H+]1CCC[C@H](Nc2cc(OC(C)C)ncn2)C1 ZINC000090793270 529092431 /nfs/dbraw/zinc/09/24/31/529092431.db2.gz MIJQUCHLHOJJFR-LBPRGKRZSA-N 1 0 264.373 2.160 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1nccn1C(F)F ZINC000175336016 529098903 /nfs/dbraw/zinc/09/89/03/529098903.db2.gz BFDGTJVHQUGETE-NSHDSACASA-N 1 0 272.343 2.194 10 0 CEAERO CCOc1cccc(N2CCC[C@@H]([C@@H](C)[NH2+]C)C2)n1 ZINC000111716713 535467288 /nfs/dbraw/zinc/46/72/88/535467288.db2.gz AWAMBFQRSAELRP-CHWSQXEVSA-N 1 0 263.385 2.305 10 0 CEAERO CCn1cccc1C[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000091024684 536102065 /nfs/dbraw/zinc/10/20/65/536102065.db2.gz VSWGSLKYVZNQPO-CQSZACIVSA-N 1 0 285.395 2.057 10 0 CEAERO CCc1cc(N2CCC(C[NH2+]C3CC3)CC2)nc(C)n1 ZINC000088760850 536144442 /nfs/dbraw/zinc/14/44/42/536144442.db2.gz NWTCSCZVJJNVGV-UHFFFAOYSA-N 1 0 274.412 2.316 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000262643348 536461532 /nfs/dbraw/zinc/46/15/32/536461532.db2.gz STRPVDORADMXEA-YNEHKIRRSA-N 1 0 296.436 2.018 10 0 CEAERO COc1cccc(N2CC[NH+]([C@H]3CCCC(=O)C3)CC2)c1 ZINC000093730433 537124869 /nfs/dbraw/zinc/12/48/69/537124869.db2.gz HKFICXUWPRHJRZ-AWEZNQCLSA-N 1 0 288.391 2.329 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H]2CCC[C@@H](C)CC2)C1 ZINC000229020544 574437655 /nfs/dbraw/zinc/43/76/55/574437655.db2.gz NSJRQBIUESCQHK-RBSFLKMASA-N 1 0 254.418 2.266 10 0 CEAERO CC(C)[C@H](C(=O)O[C@@H](C)[C@@H]1CCOC1)[NH+]1CCCCC1 ZINC000125284502 649887873 /nfs/dbraw/zinc/88/78/73/649887873.db2.gz XNOPJOTVPBOBCJ-RRFJBIMHSA-N 1 0 283.412 2.465 10 0 CEAERO COc1ccccc1[C@H]1C[NH2+]C[C@H]1C(=O)OC(C)(C)C ZINC000757185525 574511677 /nfs/dbraw/zinc/51/16/77/574511677.db2.gz WYPIQFDRXNRLTF-CHWSQXEVSA-N 1 0 277.364 2.340 10 0 CEAERO C[C@@H]1C[C@H](C)CN(S(=O)(=O)C[C@H]([NH3+])CC(C)(C)C)C1 ZINC000757152065 574510867 /nfs/dbraw/zinc/51/08/67/574510867.db2.gz SDAUWVPJNYEZQG-FRRDWIJNSA-N 1 0 290.473 2.058 10 0 CEAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(O)cc1 ZINC000757185016 574511607 /nfs/dbraw/zinc/51/16/07/574511607.db2.gz PCEWDMBOGUTQRI-QWHCGFSZSA-N 1 0 263.337 2.037 10 0 CEAERO Cc1cc(Cl)ncc1NC(=O)C[C@@H]([NH3+])C(C)C ZINC000310287360 629741479 /nfs/dbraw/zinc/74/14/79/629741479.db2.gz HEUZKZOSPRENQV-SECBINFHSA-N 1 0 255.749 2.355 10 0 CEAERO C[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)cc2)C[C@H]1[NH3+] ZINC000235339844 625328755 /nfs/dbraw/zinc/32/87/55/625328755.db2.gz OYUFSOHBLXAQKF-BXUZGUMPSA-N 1 0 260.381 2.403 10 0 CEAERO C[C@@H]1[C@H](NC(=O)n2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000309865302 625338471 /nfs/dbraw/zinc/33/84/71/625338471.db2.gz FGGNKNWLQJIWES-UKRRQHHQSA-N 1 0 284.363 2.104 10 0 CEAERO C[C@@H]1CN(Cc2cccc(F)c2Br)C[C@@H]1[NH3+] ZINC000235370335 625345603 /nfs/dbraw/zinc/34/56/03/625345603.db2.gz MXTHDZJTSGFURQ-KCJUWKMLSA-N 1 0 287.176 2.367 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CC1(Cl)Cl ZINC000177027553 625361007 /nfs/dbraw/zinc/36/10/07/625361007.db2.gz OUARDKSZIQUWAV-ZJUUUORDSA-N 1 0 279.211 2.123 10 0 CEAERO COC(=O)[C@H]1C[N@H+](CCCOCc2ccccc2)C[C@H]1C ZINC000309980643 625374328 /nfs/dbraw/zinc/37/43/28/625374328.db2.gz UTISOQMSXPPUGK-ZBFHGGJFSA-N 1 0 291.391 2.334 10 0 CEAERO C[NH2+]C[C@@H]1CCCCN1c1nnc(C(F)F)s1 ZINC000310078222 625397615 /nfs/dbraw/zinc/39/76/15/625397615.db2.gz HIGXDMPRNGETDY-ZETCQYMHSA-N 1 0 262.329 2.054 10 0 CEAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(Br)cc1 ZINC000035994952 622795042 /nfs/dbraw/zinc/79/50/42/622795042.db2.gz RTAMESJZBZVETL-NEPJUHHUSA-N 1 0 298.180 2.315 10 0 CEAERO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1cc(C)cc(Br)c1 ZINC000757183862 622956622 /nfs/dbraw/zinc/95/66/22/622956622.db2.gz IFPYTQSUQLPNEC-VXGBXAGGSA-N 1 0 298.180 2.234 10 0 CEAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000251748501 623193365 /nfs/dbraw/zinc/19/33/65/623193365.db2.gz DBYNKQYDWDXUMR-WOPDTQHZSA-N 1 0 254.374 2.384 10 0 CEAERO CCc1ccc([C@@H](C)NC(=O)[C@@]2(COC)CC[NH2+]C2)cc1 ZINC000261599481 623391561 /nfs/dbraw/zinc/39/15/61/623391561.db2.gz BDBMVZNIJQVIEX-DYVFJYSZSA-N 1 0 290.407 2.052 10 0 CEAERO C/C(=C/c1ccc(F)cc1)C(=O)NCC[C@@H](C)[NH3+] ZINC000255278680 623505108 /nfs/dbraw/zinc/50/51/08/623505108.db2.gz FJKNHQLEXWNRLJ-DWOQACPDSA-N 1 0 250.317 2.083 10 0 CEAERO Cc1c(C[NH2+][C@H](Cn2ccnc2)C(C)(C)C)cnn1C ZINC000093649966 623682959 /nfs/dbraw/zinc/68/29/59/623682959.db2.gz QCYVAPFWMPTZEL-CQSZACIVSA-N 1 0 275.400 2.130 10 0 CEAERO C[C@H]1CN(Cc2ccc(Br)c(F)c2)C[C@@H]1[NH3+] ZINC000235641104 625686789 /nfs/dbraw/zinc/68/67/89/625686789.db2.gz MDOMISKRQJLKLH-UFBFGSQYSA-N 1 0 287.176 2.367 10 0 CEAERO C[C@H](CC[NH2+]C[C@@H]1CC(=O)N(C)C1)c1ccccc1 ZINC000668616268 624519115 /nfs/dbraw/zinc/51/91/15/624519115.db2.gz LDDJUMBHOCJBPB-KGLIPLIRSA-N 1 0 260.381 2.248 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@@H]2C[NH2+]C[C@H]2C)c(C)c1 ZINC000235294417 624704457 /nfs/dbraw/zinc/70/44/57/624704457.db2.gz JJMZPVBZBFRCTL-VNHYZAJKSA-N 1 0 260.381 2.336 10 0 CEAERO C[C@@H]1CN(C(=O)CC23CC4CC(CC(C4)C2)C3)C[C@@H]1[NH3+] ZINC000235366053 624714496 /nfs/dbraw/zinc/71/44/96/624714496.db2.gz BWBGVGWVMWZBHL-BVOGVELGSA-N 1 0 276.424 2.399 10 0 CEAERO C[C@@H]1CN(Cc2ccccc2Br)C[C@@H]1[NH3+] ZINC000235373410 624717405 /nfs/dbraw/zinc/71/74/05/624717405.db2.gz GHUSZJFTEGZKCS-SKDRFNHKSA-N 1 0 269.186 2.228 10 0 CEAERO CCN1CCO[C@H](C[NH2+]Cc2cc(Cl)cs2)C1 ZINC000165936276 627627046 /nfs/dbraw/zinc/62/70/46/627627046.db2.gz DFYGDMRYSYOFMQ-LLVKDONJSA-N 1 0 274.817 2.212 10 0 CEAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CC1(O)CCCCC1 ZINC000178309911 627781610 /nfs/dbraw/zinc/78/16/10/627781610.db2.gz HNBMJAWIGIKRMU-OAHLLOKOSA-N 1 0 277.412 2.351 10 0 CEAERO CC(=O)[C@@H]1CCCN(CC(=O)NC2CCCCCC2)C1 ZINC000111690080 627827776 /nfs/dbraw/zinc/82/77/76/627827776.db2.gz CBVFBDVSQJOMCY-CQSZACIVSA-N 1 0 280.412 2.126 10 0 CEAERO CCN1CC[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000328530998 627889021 /nfs/dbraw/zinc/88/90/21/627889021.db2.gz XLFWQYWOXIAOTK-NJAFHUGGSA-N 1 0 287.451 2.333 10 0 CEAERO C[C@@H]([NH2+]C1CCC(O)(C(F)(F)F)CC1)[C@H]1CCCO1 ZINC000396319704 628207461 /nfs/dbraw/zinc/20/74/61/628207461.db2.gz IUWIIKJZHYDONQ-QTAHKJALSA-N 1 0 281.318 2.380 10 0 CEAERO O[C@@H]1CCC[C@@H]([NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000396328009 628207572 /nfs/dbraw/zinc/20/75/72/628207572.db2.gz WDGFWKPPFMDGMS-BFUDSRACSA-N 1 0 281.318 2.116 10 0 CEAERO COC(=O)[C@H]1CCC[N@H+](CCOc2ccc(C)cc2)C1 ZINC000066835573 628217502 /nfs/dbraw/zinc/21/75/02/628217502.db2.gz PSNSJBATSOGQKL-AWEZNQCLSA-N 1 0 277.364 2.259 10 0 CEAERO FC(F)(F)[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCO2)CCO1 ZINC000310617987 628307677 /nfs/dbraw/zinc/30/76/77/628307677.db2.gz ATOUCMQIUSOFMS-VWYCJHECSA-N 1 0 267.291 2.255 10 0 CEAERO CCC(CC)(C[NH3+])C(=O)N[C@@H]1CCN(c2ccccc2)C1 ZINC000236700549 628520958 /nfs/dbraw/zinc/52/09/58/628520958.db2.gz OWJCLRJFUIRQHD-CQSZACIVSA-N 1 0 289.423 2.147 10 0 CEAERO Cc1cc(NC(=O)C2CC([NH3+])C2)ccc1Br ZINC000258773039 628765467 /nfs/dbraw/zinc/76/54/67/628765467.db2.gz PXPHXUUMBYKGQV-UHFFFAOYSA-N 1 0 283.169 2.433 10 0 CEAERO C[C@@H](C[NH3+])c1noc(Cc2c(F)cccc2F)n1 ZINC000095059021 628894771 /nfs/dbraw/zinc/89/47/71/628894771.db2.gz AIVWLWGCKGOABA-ZETCQYMHSA-N 1 0 253.252 2.001 10 0 CEAERO FC(F)C(F)(F)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000226200723 628901395 /nfs/dbraw/zinc/90/13/95/628901395.db2.gz VJZMAGSWLZTKQE-SECBINFHSA-N 1 0 254.271 2.057 10 0 CEAERO C[NH2+][C@H](C)CNc1cc(C)c(Br)cn1 ZINC000261528401 628921774 /nfs/dbraw/zinc/92/17/74/628921774.db2.gz LMRATYOPRZPHKA-MRVPVSSYSA-N 1 0 258.163 2.172 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)Nc1ccc(Cl)cc1 ZINC000261557782 628937926 /nfs/dbraw/zinc/93/79/26/628937926.db2.gz SALNKIRPQBQFCR-KCJUWKMLSA-N 1 0 253.733 2.293 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1cccc(Br)c1 ZINC000261582373 628942090 /nfs/dbraw/zinc/94/20/90/628942090.db2.gz OGTLAAHSOIVMMK-LDYMZIIASA-N 1 0 283.169 2.011 10 0 CEAERO CCc1ccc([C@@H](C)NC(=O)[C@]2(COC)CC[NH2+]C2)cc1 ZINC000261599479 628943607 /nfs/dbraw/zinc/94/36/07/628943607.db2.gz BDBMVZNIJQVIEX-CXAGYDPISA-N 1 0 290.407 2.052 10 0 CEAERO CC(C)CCCCCCNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261606441 628946230 /nfs/dbraw/zinc/94/62/30/628946230.db2.gz AQBPZPBEZNRKME-OAHLLOKOSA-N 1 0 284.444 2.463 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1ccc(OC(F)(F)F)cc1 ZINC000261628933 628952255 /nfs/dbraw/zinc/95/22/55/628952255.db2.gz BALUWOJRWGHOOJ-LDYMZIIASA-N 1 0 288.269 2.147 10 0 CEAERO COC[C@@]1(CNc2nccc3occc32)CCC[NH2+]1 ZINC000261645551 628958330 /nfs/dbraw/zinc/95/83/30/628958330.db2.gz XNIJSPDDMPZBGY-AWEZNQCLSA-N 1 0 261.325 2.008 10 0 CEAERO CCc1ccc([C@H](C)NC(=O)C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000236977305 629144190 /nfs/dbraw/zinc/14/41/90/629144190.db2.gz UFKWZWPBVFILQA-BBRMVZONSA-N 1 0 290.407 2.195 10 0 CEAERO Cc1cnc([C@H](C)NC(=O)[C@H]([NH3+])CC2CCCCC2)o1 ZINC000261778501 629190045 /nfs/dbraw/zinc/19/00/45/629190045.db2.gz PHXNXBFQIMWHNB-WCQYABFASA-N 1 0 279.384 2.458 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1cccc(OC(F)(F)F)c1 ZINC000261841119 629272225 /nfs/dbraw/zinc/27/22/25/629272225.db2.gz VQMGSKHPBFOKFW-KCJUWKMLSA-N 1 0 288.269 2.147 10 0 CEAERO Cc1nccn1-c1ccc([C@@H](C)NC(=O)C[C@@H](C)[NH3+])cc1 ZINC000261890447 629304778 /nfs/dbraw/zinc/30/47/78/629304778.db2.gz TUWLGWBEGYHDQM-VXGBXAGGSA-N 1 0 286.379 2.095 10 0 CEAERO COC(=O)CCCCCCCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000237142384 629416480 /nfs/dbraw/zinc/41/64/80/629416480.db2.gz RHMGLAFYPIKWGD-UONOGXRCSA-N 1 0 298.427 2.134 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1c1nc(-c2cncs2)no1 ZINC000147421622 629586366 /nfs/dbraw/zinc/58/63/66/629586366.db2.gz DJRSFOHPSSDPLO-YUMQZZPRSA-N 1 0 250.327 2.036 10 0 CEAERO FC(F)(F)c1ccccc1OCCN[C@@H]1CC[NH2+]C1 ZINC000262280622 630602231 /nfs/dbraw/zinc/60/22/31/630602231.db2.gz ZFXTZZREBRATMP-SNVBAGLBSA-N 1 0 274.286 2.036 10 0 CEAERO CCO[C@@H]1C[C@@H](NC(=[NH2+])NC2CCCC2)C12CCOCC2 ZINC000248645270 630782797 /nfs/dbraw/zinc/78/27/97/630782797.db2.gz QVJSOBYGRMMOHF-ZIAGYGMSSA-N 1 0 295.427 2.017 10 0 CEAERO COc1ccccc1Cc1noc(C[C@H]2CCC[NH2+]C2)n1 ZINC000054301500 631143545 /nfs/dbraw/zinc/14/35/45/631143545.db2.gz JXHXFWIKFDSLEP-GFCCVEGCSA-N 1 0 287.363 2.211 10 0 CEAERO Cc1cc(CN2CC[C@@H]([NH+](C)C)C2)cc(Cl)n1 ZINC000320968587 631227584 /nfs/dbraw/zinc/22/75/84/631227584.db2.gz VGHMCAYZJGABOM-GFCCVEGCSA-N 1 0 253.777 2.179 10 0 CEAERO Brc1nc2c(n1C1CCC1)CC[NH2+]C2 ZINC000757170503 631829008 /nfs/dbraw/zinc/82/90/08/631829008.db2.gz ITZBQVARSOOABI-UHFFFAOYSA-N 1 0 256.147 2.016 10 0 CEAERO CC[NH2+]CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000044290932 638997296 /nfs/dbraw/zinc/99/72/96/638997296.db2.gz IILNEZCVUWDNPH-GFCCVEGCSA-N 1 0 260.381 2.352 10 0 CEAERO CO[C@H](c1noc(-c2csc([C@@H](C)[NH3+])n2)n1)C1CC1 ZINC000227330713 639585270 /nfs/dbraw/zinc/58/52/70/639585270.db2.gz NSHSYCXSKYMVAZ-MUWHJKNJSA-N 1 0 280.353 2.310 10 0 CEAERO CC12C[C@H]3C[C@@H](C1)CC(C(=O)N[C@H]1CC[NH2+]C1)(C3)C2 ZINC000228380347 639632965 /nfs/dbraw/zinc/63/29/65/639632965.db2.gz ZLIWIYLIGGEQJM-SYHMHZHXSA-N 1 0 262.397 2.071 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@@H]1c1ccsc1 ZINC000104227144 639711957 /nfs/dbraw/zinc/71/19/57/639711957.db2.gz JXMMTBQBCZDFRI-RAIGVLPGSA-N 1 0 264.394 2.267 10 0 CEAERO COCC[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000230061921 639729097 /nfs/dbraw/zinc/72/90/97/639729097.db2.gz OIAPZEHJRYIILI-STQMWFEESA-N 1 0 286.416 2.258 10 0 CEAERO c1ccc(CCc2nc(C[C@@H]3CCC[NH2+]C3)no2)cc1 ZINC000063084462 639821834 /nfs/dbraw/zinc/82/18/34/639821834.db2.gz CQYSFQAMKWJRMB-AWEZNQCLSA-N 1 0 271.364 2.397 10 0 CEAERO c1csc(Cc2nc(C[C@H]3CCC[NH2+]C3)no2)c1 ZINC000063084773 639823594 /nfs/dbraw/zinc/82/35/94/639823594.db2.gz SDEQRLPQFIRXRD-SNVBAGLBSA-N 1 0 263.366 2.264 10 0 CEAERO c1csc(Cc2nc(C[C@@H]3CCC[NH2+]C3)no2)c1 ZINC000063084772 639823887 /nfs/dbraw/zinc/82/38/87/639823887.db2.gz SDEQRLPQFIRXRD-JTQLQIEISA-N 1 0 263.366 2.264 10 0 CEAERO COc1cccc(-c2nc(C[C@@H]3CCC[NH2+]C3)no2)c1 ZINC000063084712 639824198 /nfs/dbraw/zinc/82/41/98/639824198.db2.gz BBXIOAXAGFNVKV-NSHDSACASA-N 1 0 273.336 2.287 10 0 CEAERO [NH3+][C@H]1CC[C@H](c2nc(-c3ccc(O)c(F)c3)no2)C1 ZINC000232349347 639914679 /nfs/dbraw/zinc/91/46/79/639914679.db2.gz BESVBKBSEMRMIW-IUCAKERBSA-N 1 0 263.272 2.176 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@H](C2CC2)C(C)(C)C)C1 ZINC000323966771 639956200 /nfs/dbraw/zinc/95/62/00/639956200.db2.gz HPOOJCACLSQUTH-UONOGXRCSA-N 1 0 254.418 2.121 10 0 CEAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@H](O)c1ccccc1Cl ZINC000324431572 640575697 /nfs/dbraw/zinc/57/56/97/640575697.db2.gz BQVPVEYFQOZPSE-STQMWFEESA-N 1 0 271.788 2.370 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)/C=C\c1ccccc1 ZINC000214338327 640870782 /nfs/dbraw/zinc/87/07/82/640870782.db2.gz ULVUYLUDAAIUSH-KUGGDMIFSA-N 1 0 294.420 2.061 10 0 CEAERO Cc1cc(C)cc(OCCNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000237843299 641388677 /nfs/dbraw/zinc/38/86/77/641388677.db2.gz UUHWQIFMDMUCGX-LSDHHAIUSA-N 1 0 290.407 2.316 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1SCCc2ccccc21 ZINC000237999102 641412201 /nfs/dbraw/zinc/41/22/01/641412201.db2.gz QBAFBOCOLBILBI-AEGPPILISA-N 1 0 290.432 2.261 10 0 CEAERO COC(=O)C[C@H]([NH3+])c1csc(Br)c1 ZINC000238364661 641474189 /nfs/dbraw/zinc/47/41/89/641474189.db2.gz IUNQPFLHGGAXSV-LURJTMIESA-N 1 0 264.144 2.074 10 0 CEAERO c1cnc2cc(-c3noc([C@H]4CCC[NH2+]C4)n3)ccc2n1 ZINC000070432497 641663828 /nfs/dbraw/zinc/66/38/28/641663828.db2.gz DORFLCGISPJOPN-NSHDSACASA-N 1 0 281.319 2.147 10 0 CEAERO COc1ccc([C@@H](C)[NH2+]C[C@H](O)C2CC2)cc1OC ZINC000071299966 641739465 /nfs/dbraw/zinc/73/94/65/641739465.db2.gz ADHZURGQTDPZQJ-MFKMUULPSA-N 1 0 265.353 2.125 10 0 CEAERO CCCCCC[NH+]1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000186681205 643328624 /nfs/dbraw/zinc/32/86/24/643328624.db2.gz ANAHIDSUFRTLPD-UHFFFAOYSA-N 1 0 256.390 2.048 10 0 CEAERO COC[C@H](C)C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000117094029 645667872 /nfs/dbraw/zinc/66/78/72/645667872.db2.gz MPMOJPLIFOEAEM-DZGCQCFKSA-N 1 0 277.364 2.087 10 0 CEAERO Cc1cccc([C@H](C)[NH2+]C[C@H]2CCCS2(=O)=O)c1 ZINC000126983687 651041241 /nfs/dbraw/zinc/04/12/41/651041241.db2.gz HDQPIEPIRRDDQH-GXTWGEPZSA-N 1 0 267.394 2.223 10 0 CEAERO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C1([NH3+])CCOCC1 ZINC000132172484 652501563 /nfs/dbraw/zinc/50/15/63/652501563.db2.gz KUUWBSZUSNQZIQ-NSHDSACASA-N 1 0 296.798 2.367 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cn1cc(C)cnc1=S ZINC000133396193 652624432 /nfs/dbraw/zinc/62/44/32/652624432.db2.gz NXZLWCPXXQYHME-ZDUSSCGKSA-N 1 0 280.441 2.295 10 0 CEAERO CC1CCC(CNC(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000133446291 652630300 /nfs/dbraw/zinc/63/03/00/652630300.db2.gz KUDUFQIJTNCNAM-PIMMBPRGSA-N 1 0 252.402 2.461 10 0 CEAERO Cc1ccc(NC(=O)NC[C@@H]2CC[NH2+]C2)cc1Cl ZINC000133710814 652706789 /nfs/dbraw/zinc/70/67/89/652706789.db2.gz RWZPXSJWPPVWIY-SNVBAGLBSA-N 1 0 267.760 2.379 10 0 CEAERO C[NH2+][C@@H](c1ccc(OC)cc1)[C@@H](C)S(=O)(=O)C(C)C ZINC000081981521 177911576 /nfs/dbraw/zinc/91/15/76/177911576.db2.gz WBJJNNBIIBECEE-BXUZGUMPSA-N 1 0 285.409 2.167 10 0 CEAERO Cc1cccc(S(=O)(=O)[C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000081986937 177913338 /nfs/dbraw/zinc/91/33/38/177913338.db2.gz IHTBTGSNTJNHJL-ZIAGYGMSSA-N 1 0 267.394 2.429 10 0 CEAERO C[NH2+][C@H](C)CCCS(=O)(=O)c1cccc(C)c1 ZINC000081986576 177913352 /nfs/dbraw/zinc/91/33/52/177913352.db2.gz UZMVZBPKBQWJSS-GFCCVEGCSA-N 1 0 255.383 2.157 10 0 CEAERO [NH3+][C@@H](Cc1cccc(Br)c1)[C@@H]1CCCO1 ZINC000082259757 177932504 /nfs/dbraw/zinc/93/25/04/177932504.db2.gz WELQFUMQBRNXEX-RYUDHWBXSA-N 1 0 270.170 2.498 10 0 CEAERO CCOCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000124559170 187142957 /nfs/dbraw/zinc/14/29/57/187142957.db2.gz PXBKNELSTVSSQE-ZNMIVQPWSA-N 1 0 255.402 2.429 10 0 CEAERO CC[NH2+][C@]1(CN)CCc2cc(Br)ccc2C1 ZINC000082491560 178059110 /nfs/dbraw/zinc/05/91/10/178059110.db2.gz PFFNCICAKKLPEB-CYBMUJFWSA-N 1 0 283.213 2.245 10 0 CEAERO CN(c1ncccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000082500064 178065032 /nfs/dbraw/zinc/06/50/32/178065032.db2.gz MRZHJQBPPYVBKX-SECBINFHSA-N 1 0 270.174 2.032 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1c1nc2cc(Br)cnc2[nH]1 ZINC000082557969 178095541 /nfs/dbraw/zinc/09/55/41/178095541.db2.gz OZQXENLDLDFUPF-SVRRBLITSA-N 1 0 281.157 2.043 10 0 CEAERO Clc1cc(Br)ccc1NC1=[NH+]CCN1 ZINC000095777254 185028364 /nfs/dbraw/zinc/02/83/64/185028364.db2.gz NIANTPSGFAVJCF-UHFFFAOYSA-N 1 0 274.549 2.474 10 0 CEAERO COc1cc([C@@H]([NH3+])C2CCOCC2)cc(OC)c1OC ZINC000095825111 185028646 /nfs/dbraw/zinc/02/86/46/185028646.db2.gz KHQRBKHOURAFEQ-AWEZNQCLSA-N 1 0 281.352 2.139 10 0 CEAERO CC(C)[NH2+]C[C@H](C)Sc1nnc(N(C)C)s1 ZINC000082580231 178119059 /nfs/dbraw/zinc/11/90/59/178119059.db2.gz JRYJCMLELIOYSR-QMMMGPOBSA-N 1 0 260.432 2.083 10 0 CEAERO CC1=CC[C@@](O)([C@@H]2C[NH2+]CCN2Cc2ccccc2)C=C1 ZINC000095932569 185032474 /nfs/dbraw/zinc/03/24/74/185032474.db2.gz FSYUUHJQROISLT-ZWKOTPCHSA-N 1 0 284.403 2.098 10 0 CEAERO [NH3+]CCc1ccc(Br)cc1-n1ccnc1 ZINC000082612013 178125791 /nfs/dbraw/zinc/12/57/91/178125791.db2.gz FTYYDKSTFJYRQT-UHFFFAOYSA-N 1 0 266.142 2.136 10 0 CEAERO Cc1noc([C@H](C)N2CC[NH+](C[C@@H]3CC=CCC3)CC2)n1 ZINC000121257437 365541955 /nfs/dbraw/zinc/54/19/55/365541955.db2.gz CGKWNEPXJBTQCL-DZGCQCFKSA-N 1 0 290.411 2.413 10 0 CEAERO Cn1cnnc1Sc1cc(Br)ccc1C[NH3+] ZINC000082616005 178126773 /nfs/dbraw/zinc/12/67/73/178126773.db2.gz AXQKMJRJYGCJRI-UHFFFAOYSA-N 1 0 299.197 2.188 10 0 CEAERO COCc1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)no1 ZINC000124662012 187147581 /nfs/dbraw/zinc/14/75/81/187147581.db2.gz QMVBJFJTYTUCEC-XHSDSOJGSA-N 1 0 294.395 2.337 10 0 CEAERO C[C@@H](Nc1ncc(Br)cn1)[C@H]1CCC[NH2+]C1 ZINC000082662371 178151130 /nfs/dbraw/zinc/15/11/30/178151130.db2.gz OLAOZZOFWPHBNW-BDAKNGLRSA-N 1 0 285.189 2.039 10 0 CEAERO [NH3+]Cc1ccc(Oc2ncc(Br)cn2)cc1 ZINC000082662673 178151412 /nfs/dbraw/zinc/15/14/12/178151412.db2.gz HJKXUZQKXDQBAZ-UHFFFAOYSA-N 1 0 280.125 2.490 10 0 CEAERO [NH3+]CC1(Nc2ncc(Br)cn2)CCCCC1 ZINC000082663613 178152095 /nfs/dbraw/zinc/15/20/95/178152095.db2.gz WPGVERQRYPLDBM-UHFFFAOYSA-N 1 0 285.189 2.313 10 0 CEAERO C[C@@H]([NH3+])c1cnc2c(Br)cc(F)cn12 ZINC000082693657 178188085 /nfs/dbraw/zinc/18/80/85/178188085.db2.gz LASGPCAGRHGELM-RXMQYKEDSA-N 1 0 258.094 2.256 10 0 CEAERO CC(=O)N1CCC([NH2+][C@H](C)c2cccs2)CC1 ZINC000034996375 361802776 /nfs/dbraw/zinc/80/27/76/361802776.db2.gz BDULAVAIRIERMM-SNVBAGLBSA-N 1 0 252.383 2.410 10 0 CEAERO C[C@@H]([NH3+])c1nnc(-c2cc(F)cc(Br)c2)[nH]1 ZINC000082752549 178275011 /nfs/dbraw/zinc/27/50/11/178275011.db2.gz VMOTWLLREBCJNM-RXMQYKEDSA-N 1 0 285.120 2.393 10 0 CEAERO CC[NH2+][C@@H]1CC[C@H](S(=O)(=O)c2cccs2)C1 ZINC000082819979 178316460 /nfs/dbraw/zinc/31/64/60/178316460.db2.gz OJICNPSTPVGFSS-ZJUUUORDSA-N 1 0 259.396 2.052 10 0 CEAERO [NH3+][C@@H](CCO)CSc1nc2ccccc2s1 ZINC000082988905 178332257 /nfs/dbraw/zinc/33/22/57/178332257.db2.gz WUCSSOSAHQEHGB-QMMMGPOBSA-N 1 0 254.380 2.098 10 0 CEAERO C[C@H](C[C@](C)([NH3+])CO)Sc1ccc(Cl)cn1 ZINC000082905428 178329459 /nfs/dbraw/zinc/32/94/59/178329459.db2.gz LMSRCSWHHRBVJO-KCJUWKMLSA-N 1 0 260.790 2.315 10 0 CEAERO COc1ccc([C@H](O)[C@@H]2CCC[NH2+]2)c(Br)c1 ZINC000082954639 178330166 /nfs/dbraw/zinc/33/01/66/178330166.db2.gz OOBSCOHNQZPDBV-RYUDHWBXSA-N 1 0 286.169 2.243 10 0 CEAERO CC(C)(C)OC(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000096897257 185124489 /nfs/dbraw/zinc/12/44/89/185124489.db2.gz MFCFZDVNBFYEOE-AWEZNQCLSA-N 1 0 254.374 2.387 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000036872767 361866095 /nfs/dbraw/zinc/86/60/95/361866095.db2.gz PISLPRHBKDUXCS-SECBINFHSA-N 1 0 286.759 2.423 10 0 CEAERO c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CNCCO2)cc1 ZINC000096949584 185139141 /nfs/dbraw/zinc/13/91/41/185139141.db2.gz OTCREKNSLPVLFE-CVEARBPZSA-N 1 0 260.381 2.030 10 0 CEAERO C[C@@H]1C[C@@]2(C[N@@H+]1C)C[C@@H](O)c1ccc(F)cc1O2 ZINC000097005304 185150524 /nfs/dbraw/zinc/15/05/24/185150524.db2.gz DPBKPPQLSFUTSC-IUPBHXKESA-N 1 0 251.301 2.104 10 0 CEAERO C[C@H]1C[NH2+]CC[C@]12C[C@@H](O)c1ccc(F)cc1O2 ZINC000097005411 185150915 /nfs/dbraw/zinc/15/09/15/185150915.db2.gz BQRKOBKMOVAYPT-BHYNMZESSA-N 1 0 251.301 2.010 10 0 CEAERO CC1CCC(NC(=O)[C@@H]2CC[C@@H]([NH3+])[C@@H](C)C2)CC1 ZINC000097030656 185155060 /nfs/dbraw/zinc/15/50/60/185155060.db2.gz RBJOUVJDGSAKSM-ALMXHQDSSA-N 1 0 252.402 2.445 10 0 CEAERO CCc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCCCOC)cc1 ZINC000037980704 361971253 /nfs/dbraw/zinc/97/12/53/361971253.db2.gz LRXPFLRGKMGVRU-KGLIPLIRSA-N 1 0 292.423 2.441 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000125564688 187191454 /nfs/dbraw/zinc/19/14/54/187191454.db2.gz QFIWUNJSIDHIPT-ZIAGYGMSSA-N 1 0 297.443 2.070 10 0 CEAERO CCC[C@@H]([NH2+]CC)[C@@H](CC)n1cc(S(C)(=O)=O)cn1 ZINC000725253217 539199277 /nfs/dbraw/zinc/19/92/77/539199277.db2.gz RIOLHXNJNFKWSB-CHWSQXEVSA-N 1 0 287.429 2.016 10 0 CEAERO CCCCNC(=O)NCC1([NH3+])C[C@H](C)C[C@@H](C)C1 ZINC000725254952 539200633 /nfs/dbraw/zinc/20/06/33/539200633.db2.gz LBQQFMDOVXGCQW-VXGBXAGGSA-N 1 0 255.406 2.239 10 0 CEAERO CC(C)[C@H](C)C(=O)N[C@H]1CC[NH2+]CC[C@H]1C(F)(F)F ZINC000725262579 539210924 /nfs/dbraw/zinc/21/09/24/539210924.db2.gz HVYLQNXQANDGBH-AXFHLTTASA-N 1 0 280.334 2.325 10 0 CEAERO [NH3+]C[C@H]1CCCc2ccccc2N1C(=O)CC1CC1 ZINC000725262730 539211730 /nfs/dbraw/zinc/21/17/30/539211730.db2.gz OAXIVTKCUIBNCM-CQSZACIVSA-N 1 0 258.365 2.483 10 0 CEAERO CC(C)CNC(=O)N1CCC[C@H]([C@]23CC[C@@H]2CC[NH2+]3)C1 ZINC000725263436 539212221 /nfs/dbraw/zinc/21/22/21/539212221.db2.gz GGYAUZWCKXHOFV-YCPHGPKFSA-N 1 0 279.428 2.206 10 0 CEAERO CC(C)CC(=O)N1CCC[C@H]([C@]23CC[C@H]2CC[NH2+]3)C1 ZINC000725263675 539212349 /nfs/dbraw/zinc/21/23/49/539212349.db2.gz ZIENZEZENGCJCC-DZKIICNBSA-N 1 0 264.413 2.413 10 0 CEAERO CCOC(=O)C1CC[NH+]([C@@H]2CC[C@@H]3CC[C@H]32)CC1 ZINC000725263964 539212719 /nfs/dbraw/zinc/21/27/19/539212719.db2.gz YEEPTVTZURRHCZ-IACUBPJLSA-N 1 0 251.370 2.450 10 0 CEAERO O=Cc1ccc(-c2cnnn2[C@@H]2CCC[NH2+]CC2)s1 ZINC000725266052 539213321 /nfs/dbraw/zinc/21/33/21/539213321.db2.gz IBJAZUABYAXCFZ-SNVBAGLBSA-N 1 0 276.365 2.134 10 0 CEAERO C[C@H](C(=O)N1CCC2(CC1)C[NH2+]C[C@@H](C)O2)C(C)(C)C ZINC000725271320 539215222 /nfs/dbraw/zinc/21/52/22/539215222.db2.gz CFUPHRNMFADUSR-CHWSQXEVSA-N 1 0 282.428 2.038 10 0 CEAERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]C[C@@H]1CNC(=O)C1 ZINC000398333037 539261757 /nfs/dbraw/zinc/26/17/57/539261757.db2.gz GRQKFYFRNVKEIW-LRDDRELGSA-N 1 0 272.392 2.426 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@H](C)[C@@H]2CCCC[C@H]21 ZINC000227166372 539275206 /nfs/dbraw/zinc/27/52/06/539275206.db2.gz RCAXDYAOPBCKFT-UXXRCYHCSA-N 1 0 264.413 2.269 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]CCCn2cccn2)c1C ZINC000127119682 365734678 /nfs/dbraw/zinc/73/46/78/365734678.db2.gz ZCMJXLCYEQEITL-LBPRGKRZSA-N 1 0 275.400 2.457 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H](C)c1c(C)noc1C ZINC000245432353 539301099 /nfs/dbraw/zinc/30/10/99/539301099.db2.gz ODMVVJWMYORQIQ-RISCZKNCSA-N 1 0 293.411 2.338 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]C[C@@H](C)COC)c1C ZINC000045658187 362164320 /nfs/dbraw/zinc/16/43/20/362164320.db2.gz HOQNVACYRFDPHW-GHMZBOCLSA-N 1 0 253.390 2.453 10 0 CEAERO Cc1cc(N[C@H]2CCC[NH2+]C2)nc(-c2cccnc2)n1 ZINC000045955135 362171779 /nfs/dbraw/zinc/17/17/79/362171779.db2.gz VUOGQBVBHNGKSY-ZDUSSCGKSA-N 1 0 269.352 2.011 10 0 CEAERO CC[NH+]1CCN(c2nc3ccc(N)cc3cc2C)CC1 ZINC000020191303 343375781 /nfs/dbraw/zinc/37/57/81/343375781.db2.gz BOLZGBMGYDMGAA-UHFFFAOYSA-N 1 0 270.380 2.267 10 0 CEAERO CC[NH+](CC)CCOC(=O)[C@H](CO)c1ccc(Cl)cc1 ZINC000029412321 343400094 /nfs/dbraw/zinc/40/00/94/343400094.db2.gz UFNOFMWCLJLPJI-CQSZACIVSA-N 1 0 299.798 2.301 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]Cc2cccc(Cl)c2F)C1 ZINC000125146958 539308449 /nfs/dbraw/zinc/30/84/49/539308449.db2.gz QUSWFYOJRNXGFL-LBPRGKRZSA-N 1 0 286.778 2.289 10 0 CEAERO [NH3+]C[C@H](O)c1cc(OCc2ccccc2)ccc1F ZINC000032241363 343412131 /nfs/dbraw/zinc/41/21/31/343412131.db2.gz FGGDZWZPCNKFGE-HNNXBMFYSA-N 1 0 261.296 2.397 10 0 CEAERO O[C@H](COc1cccc2c1CCC2)C[NH+]1CCCCC1 ZINC000033856449 343418141 /nfs/dbraw/zinc/41/81/41/343418141.db2.gz OSQXNJFIVXOZLL-HNNXBMFYSA-N 1 0 275.392 2.401 10 0 CEAERO c1ccc(COc2cccnc2N2CC[NH2+]CC2)cc1 ZINC000034524149 343419948 /nfs/dbraw/zinc/41/99/48/343419948.db2.gz QFARDZKELOPFLC-UHFFFAOYSA-N 1 0 269.348 2.070 10 0 CEAERO CCOC(=O)C(C)(C)[C@H]([NH3+])Cc1cccc(OC)c1 ZINC000034572168 343420594 /nfs/dbraw/zinc/42/05/94/343420594.db2.gz BUKOXOOECMFPCA-CYBMUJFWSA-N 1 0 265.353 2.154 10 0 CEAERO O=C(C[n+]1ccccc1)c1cccc(Br)n1 ZINC000034746098 343420939 /nfs/dbraw/zinc/42/09/39/343420939.db2.gz HPNJPRLWCLAHDJ-UHFFFAOYSA-N 1 0 278.129 2.015 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](C)c1cc(F)ccc1F ZINC000037007719 343425120 /nfs/dbraw/zinc/42/51/20/343425120.db2.gz QIHFJHXDBSRYRR-QPUJVOFHSA-N 1 0 256.296 2.269 10 0 CEAERO CCN(CC)c1ncc(C[NH2+][C@@H]2CCC[C@H](O)C2)s1 ZINC000037321084 343426735 /nfs/dbraw/zinc/42/67/35/343426735.db2.gz FVTODKCMJLCJDD-NEPJUHHUSA-N 1 0 283.441 2.382 10 0 CEAERO C[C@@H](NC(=O)C1CCC([NH3+])CC1)c1cccs1 ZINC000037626261 343430536 /nfs/dbraw/zinc/43/05/36/343430536.db2.gz MYFMZHMRNOLIPM-KPPDAEKUSA-N 1 0 252.383 2.443 10 0 CEAERO CC(C)CNC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000047617405 362217429 /nfs/dbraw/zinc/21/74/29/362217429.db2.gz QWQFTCSNAQPKOE-CQSZACIVSA-N 1 0 263.385 2.245 10 0 CEAERO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000295003968 199294603 /nfs/dbraw/zinc/29/46/03/199294603.db2.gz LPNXIPLTSROKRR-XJKSGUPXSA-N 1 0 271.364 2.218 10 0 CEAERO CCCn1ccc(C[NH2+][C@@H](C)CC[S@](C)=O)c1 ZINC000128026051 187346692 /nfs/dbraw/zinc/34/66/92/187346692.db2.gz LMMHDESHDYZSNF-YVEFUNNKSA-N 1 0 256.415 2.145 10 0 CEAERO c1ccc2c(c1)ccnc2N1CC[C@]2(CC[NH2+]C2)C1 ZINC000082765845 539358518 /nfs/dbraw/zinc/35/85/18/539358518.db2.gz GUNFEVVOYGFOKV-INIZCTEOSA-N 1 0 253.349 2.425 10 0 CEAERO FC(F)(F)c1nsc(NC[C@@H]2CCCC[NH2+]2)n1 ZINC000228788607 539358542 /nfs/dbraw/zinc/35/85/42/539358542.db2.gz BTNLDLRYBFWIAU-LURJTMIESA-N 1 0 266.292 2.111 10 0 CEAERO Cn1cc([C@H]([NH3+])Cc2ccc(Br)s2)cn1 ZINC000083572613 178582953 /nfs/dbraw/zinc/58/29/53/178582953.db2.gz WUOGMGXAISIAAH-SECBINFHSA-N 1 0 286.198 2.487 10 0 CEAERO C[C@H]1C[C@]2(CCC(=O)N2c2cccc(F)c2)CC[NH2+]1 ZINC000071603068 343801540 /nfs/dbraw/zinc/80/15/40/343801540.db2.gz HJUYUEUGWBGQKT-NHYWBVRUSA-N 1 0 262.328 2.463 10 0 CEAERO CC[C@@H]1CN(Cc2ccc(OC)c(O)c2)[C@H](CC)C[NH2+]1 ZINC000083586826 178595114 /nfs/dbraw/zinc/59/51/14/178595114.db2.gz ZPXDUVWFMXGLTA-ZIAGYGMSSA-N 1 0 278.396 2.363 10 0 CEAERO C[C@@H]1C[NH+](C[C@@H](O)COCc2ccccc2)C[C@H]1C ZINC000076112238 343881669 /nfs/dbraw/zinc/88/16/69/343881669.db2.gz ABJFZFPBRCBXMV-IIAWOOMASA-N 1 0 263.381 2.152 10 0 CEAERO C[N@H+](CC(=O)Nc1ccccc1Cl)[C@@H]1CCC[C@@H]1O ZINC000078480639 343954517 /nfs/dbraw/zinc/95/45/17/343954517.db2.gz GJILTXMACHIIAI-OLZOCXBDSA-N 1 0 282.771 2.124 10 0 CEAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1(CO)COC1 ZINC000090644494 344141549 /nfs/dbraw/zinc/14/15/49/344141549.db2.gz DYIDGBWLMBXAJT-HZSPNIEDSA-N 1 0 255.402 2.046 10 0 CEAERO Cc1cc(NC2CC[NH+](Cc3cccnc3)CC2)n(C)n1 ZINC000097371343 344244699 /nfs/dbraw/zinc/24/46/99/344244699.db2.gz KOSPJYCHFDTYTK-UHFFFAOYSA-N 1 0 285.395 2.200 10 0 CEAERO CCOC(=O)c1ccc(N2CC[NH2+]C(C)(C)C2)cc1 ZINC000113033473 344276519 /nfs/dbraw/zinc/27/65/19/344276519.db2.gz COJQDGKQFNWYNH-UHFFFAOYSA-N 1 0 262.353 2.052 10 0 CEAERO COC(=O)[C@@H]1C[N@H+](C)CC[C@@H]1c1ccc(C)c(F)c1 ZINC000114031463 344278871 /nfs/dbraw/zinc/27/88/71/344278871.db2.gz BGDRSBWHWDRRJM-CHWSQXEVSA-N 1 0 265.328 2.342 10 0 CEAERO CCOC(=O)CCc1c(C)cc(C(=[NH2+])NO)cc1CC ZINC000115401202 344283263 /nfs/dbraw/zinc/28/32/63/344283263.db2.gz LXBXBKPFMKYIRX-UHFFFAOYSA-N 1 0 278.352 2.357 10 0 CEAERO COC(=O)c1sccc1NC1CC[NH+](C)CC1 ZINC000117648106 344289688 /nfs/dbraw/zinc/28/96/88/344289688.db2.gz ZTFUVGKVCNIWQU-UHFFFAOYSA-N 1 0 254.355 2.041 10 0 CEAERO COC(=O)c1cc(N2CC[NH2+]CC2)cc2ccccc21 ZINC000118173700 344290765 /nfs/dbraw/zinc/29/07/65/344290765.db2.gz DMZOVLVUTDUJDX-UHFFFAOYSA-N 1 0 270.332 2.036 10 0 CEAERO Cc1ccc(NC(=O)C(C)(C)N2CC[NH2+]CC2)c(Cl)c1 ZINC000129596765 344345045 /nfs/dbraw/zinc/34/50/45/344345045.db2.gz MLOBGYPCCFMWTL-UHFFFAOYSA-N 1 0 295.814 2.271 10 0 CEAERO N[C@H]1CNc2c(Br)cccc2C1(F)F ZINC000137478234 344388005 /nfs/dbraw/zinc/38/80/05/344388005.db2.gz TYYBSPOATFZVCJ-ZETCQYMHSA-N 1 0 263.085 2.294 10 0 CEAERO C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)c1ccc(F)c(F)c1 ZINC000139232477 344392974 /nfs/dbraw/zinc/39/29/74/344392974.db2.gz RDPZKXDYIINIOF-PWSUYJOCSA-N 1 0 297.349 2.419 10 0 CEAERO [NH3+][C@H]1CC[C@@H](Oc2ccncc2Br)C1 ZINC000159992340 344457041 /nfs/dbraw/zinc/45/70/41/344457041.db2.gz ARLIUZHHKQRINY-JGVFFNPUSA-N 1 0 257.131 2.103 10 0 CEAERO F[C@]1(Cc2ccc(Br)cn2)CC[NH2+]C1 ZINC000161975577 344466300 /nfs/dbraw/zinc/46/63/00/344466300.db2.gz NXFACPMYQFXXEW-JTQLQIEISA-N 1 0 259.122 2.088 10 0 CEAERO [NH3+]C[C@@H](c1ccc(Br)s1)N1CCCO1 ZINC000164184133 344472168 /nfs/dbraw/zinc/47/21/68/344472168.db2.gz BZIRYBLKJUOLKX-ZETCQYMHSA-N 1 0 277.187 2.148 10 0 CEAERO CC(C)(C[NH3+])Oc1ccccc1I ZINC000168061776 344479682 /nfs/dbraw/zinc/47/96/82/344479682.db2.gz UYYDUAVFRNRKTF-UHFFFAOYSA-N 1 0 291.132 2.407 10 0 CEAERO CC(C)([NH3+])C(=O)Cc1cccc(F)c1Br ZINC000168679035 344481149 /nfs/dbraw/zinc/48/11/49/344481149.db2.gz LUCRJTVFHFAOFQ-UHFFFAOYSA-N 1 0 274.133 2.437 10 0 CEAERO CC(C)(C)OC(=O)NCc1ccc(F)c(C[NH3+])c1 ZINC000169237046 344481575 /nfs/dbraw/zinc/48/15/75/344481575.db2.gz SDQRQPDYKFIXNN-UHFFFAOYSA-N 1 0 254.305 2.309 10 0 CEAERO COC(=O)C1=C(O)CC[N@@H+]([C@@H](C)CCc2ccccc2)C1 ZINC000169676081 344481793 /nfs/dbraw/zinc/48/17/93/344481793.db2.gz XHPMCCKALVVASY-ZFWWWQNUSA-N 1 0 289.375 2.072 10 0 CEAERO Cc1ccc(CCNC(=O)N2CC[C@@H]([NH+](C)C)C2)c(C)c1 ZINC000170834515 344490897 /nfs/dbraw/zinc/49/08/97/344490897.db2.gz JQEOKLDCEXAYNO-MRXNPFEDSA-N 1 0 289.423 2.191 10 0 CEAERO Cc1ccc(SCC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000170861126 344491865 /nfs/dbraw/zinc/49/18/65/344491865.db2.gz MQIYOMHVSNBOCQ-ZDUSSCGKSA-N 1 0 278.421 2.250 10 0 CEAERO C[C@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)C1CCCCC1 ZINC000173912299 344497815 /nfs/dbraw/zinc/49/78/15/344497815.db2.gz LUHMYANSXIDTQA-GXTWGEPZSA-N 1 0 267.417 2.301 10 0 CEAERO C[C@@H]([NH2+]C[C@H](O)COC(C)(C)C)c1ccc2c(c1)OCO2 ZINC000192477542 344517152 /nfs/dbraw/zinc/51/71/52/344517152.db2.gz KCMGXPGXHXMPOQ-YPMHNXCESA-N 1 0 295.379 2.242 10 0 CEAERO CCC[C@](C)(O)C[NH2+]CCOc1ccccc1OC ZINC000230707859 344573493 /nfs/dbraw/zinc/57/34/93/344573493.db2.gz VWGVFNHLMRZKEC-HNNXBMFYSA-N 1 0 267.369 2.215 10 0 CEAERO C[C@H]([NH3+])c1ccn(-c2ccc(C(F)(F)F)nc2)n1 ZINC000226124343 344548680 /nfs/dbraw/zinc/54/86/80/344548680.db2.gz FQJYEKLFRLGGDG-ZETCQYMHSA-N 1 0 256.231 2.306 10 0 CEAERO [NH3+]C[C@@H]1c2ccccc2CCN1c1ncc(Cl)cn1 ZINC000227724124 344556371 /nfs/dbraw/zinc/55/63/71/344556371.db2.gz LNJLMBMGGXXUCY-CYBMUJFWSA-N 1 0 274.755 2.193 10 0 CEAERO Brc1csc(CC[C@@H]2COCC[NH2+]2)c1 ZINC000229872140 344569425 /nfs/dbraw/zinc/56/94/25/344569425.db2.gz HZRHCEJFOJLVPK-SECBINFHSA-N 1 0 276.199 2.432 10 0 CEAERO C[C@@H]([NH3+])C[C@@H](O)c1ccc(F)cc1Br ZINC000235155911 344589680 /nfs/dbraw/zinc/58/96/80/344589680.db2.gz OFOQRQLFRWSXJK-LHLIQPBNSA-N 1 0 262.122 2.359 10 0 CEAERO CSC1(C[NH2+]C[C@@H](O)COCc2ccco2)CCC1 ZINC000235235781 344590384 /nfs/dbraw/zinc/59/03/84/344590384.db2.gz ZBIBYTIQEQABBG-GFCCVEGCSA-N 1 0 285.409 2.032 10 0 CEAERO CN(CCC[NH3+])c1ncc(Br)cc1Cl ZINC000234297722 344584546 /nfs/dbraw/zinc/58/45/46/344584546.db2.gz NRBXPSLQHSZCFJ-UHFFFAOYSA-N 1 0 278.581 2.283 10 0 CEAERO O=C1NCCC[C@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000050393885 362416488 /nfs/dbraw/zinc/41/64/88/362416488.db2.gz JFRZPEAQSHRRBH-LLVKDONJSA-N 1 0 272.270 2.074 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCCNC1=O)c1cccc(Br)c1 ZINC000050394412 362418136 /nfs/dbraw/zinc/41/81/36/362418136.db2.gz RJJDWDDCGXCURX-BXKDBHETSA-N 1 0 297.196 2.378 10 0 CEAERO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000252114531 344638678 /nfs/dbraw/zinc/63/86/78/344638678.db2.gz IHKDDKIAMMBPTP-MCIONIFRSA-N 1 0 252.402 2.413 10 0 CEAERO CC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CN(CC)CCO2)C1 ZINC000252512852 344640304 /nfs/dbraw/zinc/64/03/04/344640304.db2.gz BRCRJDLUDILMRK-ILXRZTDVSA-N 1 0 254.418 2.266 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(Cc3cc4c(c(Cl)c3)OCO4)C[C@@H]12 ZINC000312737341 344739965 /nfs/dbraw/zinc/73/99/65/344739965.db2.gz UOVFXAOYHPSRCN-NQBHXWOUSA-N 1 0 294.782 2.238 10 0 CEAERO CC(C)(C)OC(=O)N1CCC2(CC1)[NH2+]CCCS2 ZINC000300894552 344701894 /nfs/dbraw/zinc/70/18/94/344701894.db2.gz UZTCWOUTBINFTG-UHFFFAOYSA-N 1 0 272.414 2.440 10 0 CEAERO [NH3+][C@@]1(c2ncc(Br)cc2Cl)CCOC1 ZINC000306249361 344712497 /nfs/dbraw/zinc/71/24/97/344712497.db2.gz XYIBIKXFTNSKBV-VIFPVBQESA-N 1 0 277.549 2.072 10 0 CEAERO C[C@H]1[C@@H](Nc2cnc(N)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000306605912 344715651 /nfs/dbraw/zinc/71/56/51/344715651.db2.gz QMJJPIHEZCIAHI-JSGCOSHPSA-N 1 0 283.379 2.134 10 0 CEAERO [NH3+][C@@H]1C[C@H]1c1c(Br)cncc1Br ZINC000306740281 344716946 /nfs/dbraw/zinc/71/69/46/344716946.db2.gz BUHKEUZHGOPCDE-CLZZGJSISA-N 1 0 291.974 2.421 10 0 CEAERO CCC[C@H](COC)NC(=O)C(C[NH3+])(CCC)CCC ZINC000083755676 178741944 /nfs/dbraw/zinc/74/19/44/178741944.db2.gz VXYNVVCMSZYVJA-CYBMUJFWSA-N 1 0 272.433 2.463 10 0 CEAERO C[C@@H](NC1CC[NH+](CCO)CC1)c1ccc(F)cc1F ZINC000399278045 344858138 /nfs/dbraw/zinc/85/81/38/344858138.db2.gz WPESCLMTRBMSPX-LLVKDONJSA-N 1 0 284.350 2.072 10 0 CEAERO C[C@@]1(C(=O)NC[C@@H]2CC3CCC2CC3)CCCC[NH2+]1 ZINC000400130396 344860667 /nfs/dbraw/zinc/86/06/67/344860667.db2.gz URPTWMSWWCDTDV-UJJWPFCGSA-N 1 0 264.413 2.461 10 0 CEAERO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@@H]2CC3CCC2CC3)C1 ZINC000400185462 344861460 /nfs/dbraw/zinc/86/14/60/344861460.db2.gz WPFSUMMOGXSJQT-DMTXQYTPSA-N 1 0 250.386 2.056 10 0 CEAERO C[C@H]([NH3+])CCCSc1ccc(S(C)(=O)=O)cc1 ZINC000083971572 178767490 /nfs/dbraw/zinc/76/74/90/178767490.db2.gz BZUSUQWDRPTDBI-JTQLQIEISA-N 1 0 273.423 2.310 10 0 CEAERO C[NH2+][C@@H](C[S@@](=O)c1ccc(OC)cc1)C(C)(C)C ZINC000084002317 178769741 /nfs/dbraw/zinc/76/97/41/178769741.db2.gz SJPQBMYVTSIYRQ-UGSOOPFHSA-N 1 0 269.410 2.437 10 0 CEAERO C[C@@H]([NH3+])[C@H]1CCN(c2ncccc2C(F)(F)F)C1 ZINC000127310244 187295626 /nfs/dbraw/zinc/29/56/26/187295626.db2.gz PTOWELZZJZMSJS-BDAKNGLRSA-N 1 0 259.275 2.274 10 0 CEAERO CC[NH+](CC)CCN(C)N[C@H](C)Cc1ccccc1 ZINC000584601725 344963078 /nfs/dbraw/zinc/96/30/78/344963078.db2.gz MVYDUHOBDUCMIS-OAHLLOKOSA-N 1 0 263.429 2.396 10 0 CEAERO OCC[NH2+]Cc1cn(CC(F)(F)F)c2ccccc12 ZINC000584603357 344963475 /nfs/dbraw/zinc/96/34/75/344963475.db2.gz YEBIGSWGTHMXIF-UHFFFAOYSA-N 1 0 272.270 2.286 10 0 CEAERO CCC[C@@](C)(O)C[NH2+]CCOc1cccc(OC)c1 ZINC000584627057 344968952 /nfs/dbraw/zinc/96/89/52/344968952.db2.gz HSJFCIYMZRLYDY-OAHLLOKOSA-N 1 0 267.369 2.215 10 0 CEAERO [NH3+]CCc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000084110528 178794483 /nfs/dbraw/zinc/79/44/83/178794483.db2.gz UXZFYRHCUXMCNE-UHFFFAOYSA-N 1 0 257.124 2.075 10 0 CEAERO C[NH2+][C@H](C)c1cccc(SC[C@@H](O)COC)c1 ZINC000084124795 178798804 /nfs/dbraw/zinc/79/88/04/178798804.db2.gz LGWGVHNIEXPXMR-PWSUYJOCSA-N 1 0 255.383 2.066 10 0 CEAERO Cc1nn(C(C)C)c(C)c1NC(=O)CC(C)(C)[NH3+] ZINC000084169657 178813220 /nfs/dbraw/zinc/81/32/20/178813220.db2.gz AQHJSOGSBJWDFF-UHFFFAOYSA-N 1 0 252.362 2.147 10 0 CEAERO Cc1ccc(CN2CCO[C@@H](C[NH+](C)C)C2)cc1C ZINC000128234224 187359467 /nfs/dbraw/zinc/35/94/67/187359467.db2.gz AWYHSINZGXKISM-INIZCTEOSA-N 1 0 262.397 2.066 10 0 CEAERO Cc1ccc(F)cc1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054290309 362521459 /nfs/dbraw/zinc/52/14/59/362521459.db2.gz GWCUSBDLSGFIFV-LLVKDONJSA-N 1 0 250.317 2.462 10 0 CEAERO CN(Cc1ccc(O)cc1)C(=O)CC1([NH3+])CCCCC1 ZINC000084182502 178816787 /nfs/dbraw/zinc/81/67/87/178816787.db2.gz NYXZXAUCRAERPY-UHFFFAOYSA-N 1 0 276.380 2.402 10 0 CEAERO Cc1nc(C)c([C@@H](C)NC(=O)CC(C)(C)[NH3+])s1 ZINC000084183848 178818031 /nfs/dbraw/zinc/81/80/31/178818031.db2.gz HJECRXZBARUUFH-MRVPVSSYSA-N 1 0 255.387 2.065 10 0 CEAERO COCc1ccccc1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054291633 362522902 /nfs/dbraw/zinc/52/29/02/362522902.db2.gz VIXACUDXGXLSNL-GFCCVEGCSA-N 1 0 262.353 2.161 10 0 CEAERO C[C@H](Cc1ccsc1)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054308933 362526666 /nfs/dbraw/zinc/52/66/66/362526666.db2.gz PUKTUBWEHFTQFD-VXGBXAGGSA-N 1 0 266.410 2.185 10 0 CEAERO CN(c1ccc(Br)cn1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084214136 178826614 /nfs/dbraw/zinc/82/66/14/178826614.db2.gz HCNYKMVEQHJEJF-MWLCHTKSSA-N 1 0 284.201 2.408 10 0 CEAERO [NH3+]Cc1ccc(CS(=O)(=O)c2cccs2)cc1 ZINC000084269102 178836103 /nfs/dbraw/zinc/83/61/03/178836103.db2.gz YIWAWTJFEYNSOT-UHFFFAOYSA-N 1 0 267.375 2.181 10 0 CEAERO CC(C)(C)[C@@H](O)C[NH2+]CCSCC(F)(F)F ZINC000591757513 345277874 /nfs/dbraw/zinc/27/78/74/345277874.db2.gz ZQSVONRPAKSJLV-QMMMGPOBSA-N 1 0 259.337 2.279 10 0 CEAERO CCOC(=O)[C@](C)(C[C@H](C)[N@@H+]1CCC[C@@H]1CC)NC ZINC000084294451 178846485 /nfs/dbraw/zinc/84/64/85/178846485.db2.gz CCOQTYWADXFICX-YDHLFZDLSA-N 1 0 270.417 2.181 10 0 CEAERO CCCN[C@](C)(C[C@@H](C)[N@H+](C)[C@@H](C)CC)C(=O)OC ZINC000084304879 178851406 /nfs/dbraw/zinc/85/14/06/178851406.db2.gz AONAXFVLOVXHNA-GZBFAFLISA-N 1 0 272.433 2.427 10 0 CEAERO CC[NH2+][C@H](C)C[C@@H](C)S(=O)(=O)c1ccccc1OC ZINC000084357770 178868418 /nfs/dbraw/zinc/86/84/18/178868418.db2.gz NYSWYPONNGZRFW-VXGBXAGGSA-N 1 0 285.409 2.246 10 0 CEAERO CC(C)CCCO[C@H](C)C[C@](C)([NH2+]C(C)C)C(N)=O ZINC000084366861 178874710 /nfs/dbraw/zinc/87/47/10/178874710.db2.gz XYYVEHAGZZBEPX-HIFRSBDPSA-N 1 0 272.433 2.460 10 0 CEAERO CCc1nn(CC)c(C[C@]2(CO)CCC[NH2+]C2)c1Cl ZINC000097153645 185550362 /nfs/dbraw/zinc/55/03/62/185550362.db2.gz UGRGGTVWKMMUIQ-CQSZACIVSA-N 1 0 285.819 2.023 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2C[C@H](C)C[C@H](C)C2)C1 ZINC000057870257 362597668 /nfs/dbraw/zinc/59/76/68/362597668.db2.gz OBTJBWAWZPWGLD-MJBXVCDLSA-N 1 0 267.417 2.158 10 0 CEAERO C[NH2+][C@@H]1CC[C@@H](S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000084432996 178887283 /nfs/dbraw/zinc/88/72/83/178887283.db2.gz CYTODOYNBJWLCL-ZYHUDNBSSA-N 1 0 273.785 2.254 10 0 CEAERO CCn1ccnc1[C@@H](CCc1c(C)nn(C)c1C)[NH2+]C ZINC000097191777 185558277 /nfs/dbraw/zinc/55/82/77/185558277.db2.gz GAVQACVZMDMKHN-CQSZACIVSA-N 1 0 275.400 2.147 10 0 CEAERO CC[C@@H](C)n1ccc(C[C@@](C)(O)C[NH2+]C(C)C)n1 ZINC000097210350 185564552 /nfs/dbraw/zinc/56/45/52/185564552.db2.gz ADTHNMBSNDKGLR-TZMCWYRMSA-N 1 0 253.390 2.146 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc(C2CCCC2)no1 ZINC000153696270 232225142 /nfs/dbraw/zinc/22/51/42/232225142.db2.gz SAIZZCNJAKSULY-TZMCWYRMSA-N 1 0 290.411 2.396 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2nccc(C(F)(F)F)n2)C1 ZINC000060452600 362661950 /nfs/dbraw/zinc/66/19/50/362661950.db2.gz KJQDCUPVKGCLHD-SECBINFHSA-N 1 0 274.290 2.392 10 0 CEAERO CCn1nc(C)cc1C[C@H]([NH3+])[C@@H]1OCCc2ccccc21 ZINC000097281292 185579111 /nfs/dbraw/zinc/57/91/11/185579111.db2.gz YBYIZWANWFZYHH-DLBZAZTESA-N 1 0 285.391 2.395 10 0 CEAERO CCC[NH2+][C@H](C[C@@H]1CCS(=O)(=O)C1)c1cnccc1C ZINC000097301587 185581196 /nfs/dbraw/zinc/58/11/96/185581196.db2.gz PNSANOSAYSDPPN-DZGCQCFKSA-N 1 0 296.436 2.256 10 0 CEAERO C[NH2+][C@@H](Cc1csc(C)n1)Cc1c(C)nn(C)c1C ZINC000097274183 185575976 /nfs/dbraw/zinc/57/59/76/185575976.db2.gz IWVHSBQZLKTAIY-LBPRGKRZSA-N 1 0 278.425 2.175 10 0 CEAERO CC[NH2+][C@H](CC[C@H](C)OC)Cc1cc(CC)nn1C ZINC000097276866 185577213 /nfs/dbraw/zinc/57/72/13/185577213.db2.gz XMOCORNSOSLUQW-GXTWGEPZSA-N 1 0 267.417 2.318 10 0 CEAERO CC(C)Cn1ncnc1C[C@H]([NH3+])c1cccc(N(C)C)c1 ZINC000097278284 185577911 /nfs/dbraw/zinc/57/79/11/185577911.db2.gz XIFNVQIZIKFKDZ-HNNXBMFYSA-N 1 0 287.411 2.243 10 0 CEAERO C[NH2+][C@H](Cc1ncnn1CC(C)C)c1cncc(C)c1 ZINC000097278496 185578174 /nfs/dbraw/zinc/57/81/74/185578174.db2.gz WQSXVTSKPYWXPZ-CQSZACIVSA-N 1 0 273.384 2.141 10 0 CEAERO C[NH2+][C@H](Cc1nc2ccccc2n1C)[C@@H]1CCSC1 ZINC000097303423 185581607 /nfs/dbraw/zinc/58/16/07/185581607.db2.gz NSHZPCOJTQRCPI-DGCLKSJQSA-N 1 0 275.421 2.457 10 0 CEAERO CC[NH2+][C@H](c1ccnn1C)[C@@H]1CCOC2(CCC2)C1 ZINC000097305958 185582027 /nfs/dbraw/zinc/58/20/27/185582027.db2.gz KSCIBZCMBOSBKR-OCCSQVGLSA-N 1 0 263.385 2.420 10 0 CEAERO CC[NH2+][C@@H](Cc1c(C)nn(C)c1Cl)c1ccnn1C ZINC000097391689 185597538 /nfs/dbraw/zinc/59/75/38/185597538.db2.gz MPWYVBOWBCYVED-NSHDSACASA-N 1 0 281.791 2.009 10 0 CEAERO Cc1ccccc1SC[C@H]([NH3+])CCCS(C)(=O)=O ZINC000097412900 185598210 /nfs/dbraw/zinc/59/82/10/185598210.db2.gz HCNAGDIVAYWXTF-GFCCVEGCSA-N 1 0 287.450 2.239 10 0 CEAERO C[C@@H]1CC[C@H](OCCC(=O)N(C)CCC[NH3+])C[C@@H]1C ZINC000085011949 178942478 /nfs/dbraw/zinc/94/24/78/178942478.db2.gz ANXQDEAZDJWBKQ-RDBSUJKOSA-N 1 0 270.417 2.025 10 0 CEAERO COC(=O)C[C@@](C)(C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000097430408 185601843 /nfs/dbraw/zinc/60/18/43/185601843.db2.gz XEFYVGAWPCGZJT-LBPRGKRZSA-N 1 0 275.270 2.485 10 0 CEAERO C[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CCCN1CCOCC1 ZINC000085086854 178948579 /nfs/dbraw/zinc/94/85/79/178948579.db2.gz RIQYUNDDYIOUSS-RRFJBIMHSA-N 1 0 254.418 2.123 10 0 CEAERO C[C@H](CC[NH3+])CNC(=O)[C@H]1CCCc2ccccc21 ZINC000097440501 185605098 /nfs/dbraw/zinc/60/50/98/185605098.db2.gz PEFMDMNTQAFBCQ-DOMZBBRYSA-N 1 0 260.381 2.208 10 0 CEAERO Cc1c(Cl)cnn1Cc1cc(F)ccc1C[NH3+] ZINC000085148385 178958638 /nfs/dbraw/zinc/95/86/38/178958638.db2.gz PYTSPGXRIUVZRA-UHFFFAOYSA-N 1 0 253.708 2.491 10 0 CEAERO CCC[NH2+][C@H](COC)Cc1ccn([C@@H](C)CC)n1 ZINC000085182945 178966564 /nfs/dbraw/zinc/96/65/64/178966564.db2.gz AXZGVPADCUNOAD-JSGCOSHPSA-N 1 0 253.390 2.411 10 0 CEAERO CCC1(C[NH2+]Cc2cnn(C)c2C)CCOCC1 ZINC000310858313 201878826 /nfs/dbraw/zinc/87/88/26/201878826.db2.gz QYYKAMXKTCPNRF-UHFFFAOYSA-N 1 0 251.374 2.025 10 0 CEAERO CCc1ccc(N(C)C[C@@](CO)([NH2+]C)C2CC2)cc1 ZINC000085214858 178978601 /nfs/dbraw/zinc/97/86/01/178978601.db2.gz VDPNCDARVBSXCV-INIZCTEOSA-N 1 0 262.397 2.046 10 0 CEAERO CC[NH2+][C@](C)(CO)CCN(CC)c1ccccc1F ZINC000085214015 178978024 /nfs/dbraw/zinc/97/80/24/178978024.db2.gz MHEPGLBGRSCOTP-HNNXBMFYSA-N 1 0 268.376 2.403 10 0 CEAERO C[NH2+][C@@](CO)(CN1CCC(C(C)(C)C)CC1)C1CC1 ZINC000085210976 178973693 /nfs/dbraw/zinc/97/36/93/178973693.db2.gz YGCGLPHKDCKIIY-MRXNPFEDSA-N 1 0 268.445 2.105 10 0 CEAERO CC(C)[NH2+]C[C@H]1CCCCN1c1ccc2nccnc2n1 ZINC000094727094 136514494 /nfs/dbraw/zinc/51/44/94/136514494.db2.gz ABURONJNJTZMEJ-CYBMUJFWSA-N 1 0 285.395 2.382 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)CCN(CC(F)(F)F)C(C)C ZINC000085241544 178982008 /nfs/dbraw/zinc/98/20/08/178982008.db2.gz ACDUHTVXPWQXKY-LBPRGKRZSA-N 1 0 284.366 2.398 10 0 CEAERO CCC(CC)([C@@H](Cc1cccnc1)NN)[NH+]1CCCC1 ZINC000097587240 185632475 /nfs/dbraw/zinc/63/24/75/185632475.db2.gz RVORSZBJNSYRHD-OAHLLOKOSA-N 1 0 276.428 2.111 10 0 CEAERO C[C@@H](C[C@@](C)([NH3+])CO)Oc1cccc2cccnc21 ZINC000085282590 179000039 /nfs/dbraw/zinc/00/00/39/179000039.db2.gz XLHAGFULDZKBLD-XHDPSFHLSA-N 1 0 260.337 2.102 10 0 CEAERO C[C@@](CO)(CCCCOCC(F)(F)F)[NH2+]C1CC1 ZINC000085282812 179000716 /nfs/dbraw/zinc/00/07/16/179000716.db2.gz UJEMTSCKPIVEAE-NSHDSACASA-N 1 0 269.307 2.239 10 0 CEAERO C[C@]([NH3+])(CO)COc1ccccc1-c1ccccc1 ZINC000085283127 179001053 /nfs/dbraw/zinc/00/10/53/179001053.db2.gz XHQDBZCUOIZUGB-INIZCTEOSA-N 1 0 257.333 2.442 10 0 CEAERO CC[NH2+][C@H](CO)COc1ccccc1C(C)(C)C ZINC000085283263 179001174 /nfs/dbraw/zinc/00/11/74/179001174.db2.gz GXTPIICGPYMNJW-GFCCVEGCSA-N 1 0 251.370 2.333 10 0 CEAERO CCC[NH2+][C@](C)(CO)COc1ccccc1OCC ZINC000085283792 179001629 /nfs/dbraw/zinc/00/16/29/179001629.db2.gz FDBQDJSPHVLOOZ-OAHLLOKOSA-N 1 0 267.369 2.215 10 0 CEAERO Cc1ccc(C)c(OC[C@](C)(CO)[NH2+]C(C)C)c1 ZINC000085284571 179002380 /nfs/dbraw/zinc/00/23/80/179002380.db2.gz UKNYBUJEIRLCEP-HNNXBMFYSA-N 1 0 251.370 2.431 10 0 CEAERO CCC[NH2+][C@](C)(CO)C[C@H](C)n1cc(Cl)cn1 ZINC000085263862 178993980 /nfs/dbraw/zinc/99/39/80/178993980.db2.gz ZVBPMYPYPYPFRD-JQWIXIFHSA-N 1 0 259.781 2.238 10 0 CEAERO CCC[NH2+][C@@](C)(CO)C[C@@H](C)n1nc(C)cc1C ZINC000085263539 178994083 /nfs/dbraw/zinc/99/40/83/178994083.db2.gz CAWJGGROUYMIFK-ZIAGYGMSSA-N 1 0 253.390 2.202 10 0 CEAERO CCC[NH2+][C@@](C)(CO)Cn1ccnc1-c1cccs1 ZINC000085264583 178994618 /nfs/dbraw/zinc/99/46/18/178994618.db2.gz JFTSJKLFTMPERQ-CQSZACIVSA-N 1 0 279.409 2.362 10 0 CEAERO CC[NH2+][C@@](C)(CO)C[C@H](C)Oc1ccc(F)c(F)c1 ZINC000085286765 179004791 /nfs/dbraw/zinc/00/47/91/179004791.db2.gz WWNPRTKPXXZLTJ-IINYFYTJSA-N 1 0 273.323 2.483 10 0 CEAERO CC[NH2+][C@](C)(CO)C[C@H](C)Sc1nc(C)cc(C)n1 ZINC000085288025 179005056 /nfs/dbraw/zinc/00/50/56/179005056.db2.gz MFDYIYKXHXEUJK-JSGCOSHPSA-N 1 0 283.441 2.325 10 0 CEAERO C[NH2+][C@](C)(CO)CCSc1nc2cc(C)ccc2[nH]1 ZINC000085288279 179005211 /nfs/dbraw/zinc/00/52/11/179005211.db2.gz LTYKYCDLNQNTCE-AWEZNQCLSA-N 1 0 279.409 2.324 10 0 CEAERO CCC[NH2+][C@@](C)(CO)C[C@H](C)Sc1ccncn1 ZINC000085289968 179006032 /nfs/dbraw/zinc/00/60/32/179006032.db2.gz KLSDLZDYRLWFQU-WCQYABFASA-N 1 0 269.414 2.098 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)CCCSc1cnccn1 ZINC000085289566 179006108 /nfs/dbraw/zinc/00/61/08/179006108.db2.gz SUEFCZVVQDFZNF-ZDUSSCGKSA-N 1 0 269.414 2.098 10 0 CEAERO CC[NH2+][C@](C)(CO)C[C@H](C)SC1CCOCC1 ZINC000085290208 179006659 /nfs/dbraw/zinc/00/66/59/179006659.db2.gz VWTTXRAXRNTMIY-AAEUAGOBSA-N 1 0 261.431 2.038 10 0 CEAERO COc1ccc(SC[C@@](C)(CO)[NH2+]C2CC2)cc1 ZINC000085291930 179007100 /nfs/dbraw/zinc/00/71/00/179007100.db2.gz HVUPNAJCXYAPFK-CQSZACIVSA-N 1 0 267.394 2.290 10 0 CEAERO CC1(C)CN(c2nccc(C[NH3+])c2F)CCS1 ZINC000097879721 136523237 /nfs/dbraw/zinc/52/32/37/136523237.db2.gz FRZZAQDGNINCCS-UHFFFAOYSA-N 1 0 255.362 2.011 10 0 CEAERO C[NH2+][C@](C)(CO)CCSc1ccccc1OC ZINC000085297528 179009133 /nfs/dbraw/zinc/00/91/33/179009133.db2.gz QNOWZTBHKYBOBE-ZDUSSCGKSA-N 1 0 255.383 2.148 10 0 CEAERO CC[NH2+][C@@](C)(CO)C[C@@H](C)Sc1ncc(C)cn1 ZINC000085297819 179009201 /nfs/dbraw/zinc/00/92/01/179009201.db2.gz NEPDZLPTKSJZLE-DGCLKSJQSA-N 1 0 269.414 2.016 10 0 CEAERO CCc1nc2ccccc2n1[C@H](C)C[C@](C)(O)C[NH3+] ZINC000085304534 179011360 /nfs/dbraw/zinc/01/13/60/179011360.db2.gz KDSXEKGFWZTMEV-ABAIWWIYSA-N 1 0 261.369 2.260 10 0 CEAERO Cc1ccc(C(C)(C)C)c(OC[C@](C)(O)C[NH3+])c1 ZINC000085305530 179012182 /nfs/dbraw/zinc/01/21/82/179012182.db2.gz VRTBPDRKPNMVCA-OAHLLOKOSA-N 1 0 251.370 2.381 10 0 CEAERO [NH3+]C[C@@](O)(CO[C@H]1CCCc2ccccc21)C1CC1 ZINC000085306110 179012402 /nfs/dbraw/zinc/01/24/02/179012402.db2.gz MNLJHGWTCJFKIX-JKSUJKDBSA-N 1 0 261.365 2.180 10 0 CEAERO C[C@@](O)(C[NH3+])CCCCOc1ccc2c(c1)CCC2 ZINC000085306244 179012536 /nfs/dbraw/zinc/01/25/36/179012536.db2.gz YNCQDZHQTGYGDG-INIZCTEOSA-N 1 0 263.381 2.434 10 0 CEAERO CC(C)(C)[C@H](O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000336788303 365808940 /nfs/dbraw/zinc/80/89/40/365808940.db2.gz OPKOQOYLKFEJIX-NFAWXSAZSA-N 1 0 255.402 2.020 10 0 CEAERO C[C@@H]([NH3+])CSCc1noc(-c2ccsc2)n1 ZINC000085314181 179014036 /nfs/dbraw/zinc/01/40/36/179014036.db2.gz VGCGZSXMPVDCAF-SSDOTTSWSA-N 1 0 255.368 2.379 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000085356223 179030343 /nfs/dbraw/zinc/03/03/43/179030343.db2.gz JGWFABGWFDTBPG-RKDXNWHRSA-N 1 0 284.262 2.074 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)NCCc1ccccc1F ZINC000085356189 179030461 /nfs/dbraw/zinc/03/04/61/179030461.db2.gz XBSDJPHEMSUTMP-OCCSQVGLSA-N 1 0 264.344 2.002 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cn1 ZINC000085357756 179030920 /nfs/dbraw/zinc/03/09/20/179030920.db2.gz JUNLVGSXVMEYAJ-UWVGGRQHSA-N 1 0 253.733 2.191 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)Nc1ccccc1OC(F)F ZINC000085358140 179031192 /nfs/dbraw/zinc/03/11/92/179031192.db2.gz KGZQBFYTIXQWRX-IUCAKERBSA-N 1 0 270.279 2.354 10 0 CEAERO CC(C)[C@H](C)NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000085358498 179031247 /nfs/dbraw/zinc/03/12/47/179031247.db2.gz PNHUEMARYIJJBK-NWDGAFQWSA-N 1 0 257.422 2.306 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1ccccc1-n1ccnc1 ZINC000085359947 179032541 /nfs/dbraw/zinc/03/25/41/179032541.db2.gz UKFGJJJZEVTGPO-STQMWFEESA-N 1 0 284.363 2.328 10 0 CEAERO CCN(CC)c1ccc(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])cn1 ZINC000085361996 179033422 /nfs/dbraw/zinc/03/34/22/179033422.db2.gz ZJMCKMPZVBLCLH-ZIAGYGMSSA-N 1 0 290.411 2.384 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1ccc2n[nH]cc2c1 ZINC000085361578 179033573 /nfs/dbraw/zinc/03/35/73/179033573.db2.gz DUUBKGRDSNBRMS-NEPJUHHUSA-N 1 0 258.325 2.019 10 0 CEAERO CCOc1ccc(NC(=O)[C@H]2CCC[C@H]2[NH3+])c(C)c1 ZINC000085366174 179037011 /nfs/dbraw/zinc/03/70/11/179037011.db2.gz NVAURSHGMORXQY-QWHCGFSZSA-N 1 0 262.353 2.460 10 0 CEAERO COc1ccc(CN(C(=O)[C@H]2CCC[C@@H]2[NH3+])C2CC2)cc1 ZINC000085367190 179037774 /nfs/dbraw/zinc/03/77/74/179037774.db2.gz URLGTHWSKMKFRD-HOTGVXAUSA-N 1 0 288.391 2.314 10 0 CEAERO CC(C)n1ncc2cc(NC(=O)[C@H]3CCC[C@@H]3[NH3+])cnc21 ZINC000085371380 179041293 /nfs/dbraw/zinc/04/12/93/179041293.db2.gz KJZCRLBINYMQSS-STQMWFEESA-N 1 0 287.367 2.078 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)NCc1ccccc1OC(F)F ZINC000085371963 179041922 /nfs/dbraw/zinc/04/19/22/179041922.db2.gz VTVWOQBWCXSGLY-VXGBXAGGSA-N 1 0 298.333 2.422 10 0 CEAERO Cc1nc(NC(=O)[C@H]2CCCC[C@H]2[NH3+])sc1C ZINC000085372474 179042201 /nfs/dbraw/zinc/04/22/01/179042201.db2.gz LMHAQWQOJSZYTA-VHSXEESVSA-N 1 0 253.371 2.216 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)NCCc1cc(F)cc(F)c1 ZINC000085374236 179043312 /nfs/dbraw/zinc/04/33/12/179043312.db2.gz KBVZCEAPYOQVPW-ZIAGYGMSSA-N 1 0 282.334 2.141 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)N1CCCc2ccccc2C1 ZINC000085375027 179043492 /nfs/dbraw/zinc/04/34/92/179043492.db2.gz CPGJUTOTOKORBG-HUUCEWRRSA-N 1 0 258.365 2.089 10 0 CEAERO C[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085374762 179043631 /nfs/dbraw/zinc/04/36/31/179043631.db2.gz RJAKDQJTUHVOCG-QEJZJMRPSA-N 1 0 260.381 2.251 10 0 CEAERO CCc1ccccc1CNC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085376567 179044795 /nfs/dbraw/zinc/04/47/95/179044795.db2.gz CXHQEXHQDNQVFJ-LSDHHAIUSA-N 1 0 260.381 2.383 10 0 CEAERO CCO[C@H]1C[C@H]([NH2+]C[C@@H]2CCCCN2C)C1(C)C ZINC000085398047 179050563 /nfs/dbraw/zinc/05/05/63/179050563.db2.gz OJIHYDFSHAORMQ-IHRRRGAJSA-N 1 0 254.418 2.264 10 0 CEAERO CCOC(=O)CCC[NH2+][C@@H]1C[C@H](OCC)C1(C)C ZINC000085398809 179051239 /nfs/dbraw/zinc/05/12/39/179051239.db2.gz KARONMNIARLCTB-NEPJUHHUSA-N 1 0 257.374 2.123 10 0 CEAERO Cc1ccc(F)cc1C[C@@](C)(O)[C@@H]1CCC[NH2+]C1 ZINC000097850992 185673514 /nfs/dbraw/zinc/67/35/14/185673514.db2.gz ICHRVGGYHLAQLE-UKRRQHHQSA-N 1 0 251.345 2.427 10 0 CEAERO CCC1CCC(C[NH2+]C2CC2)(OC2COC2)CC1 ZINC000098059116 185678843 /nfs/dbraw/zinc/67/88/43/185678843.db2.gz LKRGQRHLNZODCD-UHFFFAOYSA-N 1 0 253.386 2.493 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCCNC1=O)c1cnc2ccsc2c1 ZINC000085433918 179061044 /nfs/dbraw/zinc/06/10/44/179061044.db2.gz WPXMCPQAYOGPBH-BXKDBHETSA-N 1 0 275.377 2.226 10 0 CEAERO C[C@H](CS(C)(=O)=O)[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000085434199 179061204 /nfs/dbraw/zinc/06/12/04/179061204.db2.gz JWCYILWYKIBXHO-ZJUUUORDSA-N 1 0 298.433 2.380 10 0 CEAERO CC(C)[C@@H]1CN(C[C@@H]2CCCCO2)C(C)(C)C[NH2+]1 ZINC000085467564 179072831 /nfs/dbraw/zinc/07/28/31/179072831.db2.gz MPXGYXDCPIPPME-KBPBESRZSA-N 1 0 254.418 2.264 10 0 CEAERO CC(C)[C@H]1CN(CCCOCC(F)(F)F)[C@@H](C)C[NH2+]1 ZINC000085450374 179065010 /nfs/dbraw/zinc/06/50/10/179065010.db2.gz RNCFSHWBGMXOPJ-NWDGAFQWSA-N 1 0 282.350 2.274 10 0 CEAERO CC(C)[C@@H]1CN(CCCOCC(F)(F)F)[C@@H](C)C[NH2+]1 ZINC000085450370 179065248 /nfs/dbraw/zinc/06/52/48/179065248.db2.gz RNCFSHWBGMXOPJ-RYUDHWBXSA-N 1 0 282.350 2.274 10 0 CEAERO CC(C)n1ccc(CN2CC[NH2+]CC23CCCC3)n1 ZINC000085452312 179065831 /nfs/dbraw/zinc/06/58/31/179065831.db2.gz VYLIMFKMKMNHDC-UHFFFAOYSA-N 1 0 262.401 2.182 10 0 CEAERO FC(F)(F)COCCC[N@@H+]1CCNCC12CCCC2 ZINC000085452311 179065873 /nfs/dbraw/zinc/06/58/73/179065873.db2.gz RXKUISURGWPZIF-UHFFFAOYSA-N 1 0 280.334 2.173 10 0 CEAERO COCCN1C[C@@H](CC(C)C)[NH2+]CC12CCCC2 ZINC000085488939 179081341 /nfs/dbraw/zinc/08/13/41/179081341.db2.gz JGQPJDWICCBRND-CQSZACIVSA-N 1 0 254.418 2.266 10 0 CEAERO CCC[C@@H]1CN[C@](C)(CC)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085495066 179081800 /nfs/dbraw/zinc/08/18/00/179081800.db2.gz IQMPHDQJCHSUSE-QLFBSQMISA-N 1 0 254.418 2.408 10 0 CEAERO CC[C@]1(C)C[NH2+]C(C)(C)CN1CCOCC(F)(F)F ZINC000085471162 179075955 /nfs/dbraw/zinc/07/59/55/179075955.db2.gz BMKSJPUMOBBHRZ-GFCCVEGCSA-N 1 0 282.350 2.418 10 0 CEAERO C[C@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1cn2ccccc2n1 ZINC000085509642 179085981 /nfs/dbraw/zinc/08/59/81/179085981.db2.gz VWBQNEJCRONINN-GUYCJALGSA-N 1 0 284.407 2.297 10 0 CEAERO CCC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1CCn1cccn1 ZINC000085511431 179086108 /nfs/dbraw/zinc/08/61/08/179086108.db2.gz WDBONMXJXYSRFS-CVEARBPZSA-N 1 0 276.428 2.126 10 0 CEAERO CC[C@]1(C)C[NH2+][C@](C)(C2CC2)CN1Cc1ncccn1 ZINC000085515041 179086401 /nfs/dbraw/zinc/08/64/01/179086401.db2.gz RHWWFOJNSZRLOR-CVEARBPZSA-N 1 0 274.412 2.219 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@@](C)(C2CC2)CN1CCn1ccnc1C ZINC000085515082 179086885 /nfs/dbraw/zinc/08/68/85/179086885.db2.gz WOESXCBCIFENQW-DLBZAZTESA-N 1 0 290.455 2.434 10 0 CEAERO CCC1(CC)C[N@H+](C[C@@H]2CCCO2)[C@H](C2CC2)CN1 ZINC000085519129 179087505 /nfs/dbraw/zinc/08/75/05/179087505.db2.gz VWWXIPOZZHRLGD-GJZGRUSLSA-N 1 0 266.429 2.408 10 0 CEAERO CC[C@@H]1C[NH2+]C(CC)(CC)CN1Cc1ncccn1 ZINC000085517271 179087553 /nfs/dbraw/zinc/08/75/53/179087553.db2.gz BREFDMNIKOAFTP-CYBMUJFWSA-N 1 0 262.401 2.219 10 0 CEAERO CCOCCN1CC(CC)(CC)[NH2+]C[C@@H]1C1CC1 ZINC000085518975 179087554 /nfs/dbraw/zinc/08/75/54/179087554.db2.gz XZWZVUAZMGWRBP-CQSZACIVSA-N 1 0 254.418 2.266 10 0 CEAERO CCC1(CC)C[N@H+](CC2CCOCC2)[C@@H](C)CN1 ZINC000085516992 179087833 /nfs/dbraw/zinc/08/78/33/179087833.db2.gz KGFOIEMQYWCXBJ-ZDUSSCGKSA-N 1 0 254.418 2.266 10 0 CEAERO C[C@H]1C[NH2+][C@@H](C2CC2)CN1CCc1cccs1 ZINC000085521326 179087951 /nfs/dbraw/zinc/08/79/51/179087951.db2.gz HJNIFLOILDAJNG-SMDDNHRTSA-N 1 0 250.411 2.363 10 0 CEAERO C[C@H]1C[NH2+][C@@H](C2CC2)CN1CCOc1ccccc1 ZINC000085521179 179088119 /nfs/dbraw/zinc/08/81/19/179088119.db2.gz KPTWCNHRBVHVKB-XJKSGUPXSA-N 1 0 260.381 2.138 10 0 CEAERO CCC1(CC)CN(CCOCCOC)[C@](C)(CC)C[NH2+]1 ZINC000085520260 179088163 /nfs/dbraw/zinc/08/81/63/179088163.db2.gz HZRDIAMIHRVOGI-OAHLLOKOSA-N 1 0 286.460 2.282 10 0 CEAERO CCC[C@H]1C[NH2+][C@H](C2CC2)CN1CCOCC(F)(F)F ZINC000085523278 179088340 /nfs/dbraw/zinc/08/83/40/179088340.db2.gz QKQBRBDCJNCRAZ-STQMWFEESA-N 1 0 294.361 2.418 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C2CC2)CN1CCC(F)(F)F ZINC000085522491 179088524 /nfs/dbraw/zinc/08/85/24/179088524.db2.gz ZGHGIOMKJNVJON-QWRGUYRKSA-N 1 0 250.308 2.401 10 0 CEAERO CC(C)[C@@H]1CNC2(CCCC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085498110 179082856 /nfs/dbraw/zinc/08/28/56/179082856.db2.gz KZZVPDYRWYKPQH-GJZGRUSLSA-N 1 0 266.429 2.266 10 0 CEAERO CC[C@]1(C)CN(Cc2ncccn2)[C@@](C)(CC)C[NH2+]1 ZINC000085496689 179083665 /nfs/dbraw/zinc/08/36/65/179083665.db2.gz PUSCJJPOAXQQLZ-CABCVRRESA-N 1 0 262.401 2.219 10 0 CEAERO COCC[N@@H+]1C[C@H](c2ccccc2)NC[C@@H]1C1CC1 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CCn1cc(CN2C[C@@H](C3CC3)[NH2+]C[C@@]2(C)CC)cn1 ZINC000085528504 179090592 /nfs/dbraw/zinc/09/05/92/179090592.db2.gz KMKLUPOFDXFJGW-JKSUJKDBSA-N 1 0 276.428 2.256 10 0 CEAERO C[C@H]1CN[C@@](C)(c2ccccc2)C[N@@H+]1CCn1cccn1 ZINC000085531771 179091392 /nfs/dbraw/zinc/09/13/92/179091392.db2.gz GEAJSURXEDIIKG-DOTOQJQBSA-N 1 0 284.407 2.092 10 0 CEAERO CC(C)OCCN1C[C@H](C2CC2)[NH2+]C[C@@]1(C)C1CC1 ZINC000085529328 179091406 /nfs/dbraw/zinc/09/14/06/179091406.db2.gz IRFRPPCNYAKFOJ-CVEARBPZSA-N 1 0 266.429 2.264 10 0 CEAERO C[C@H]1C[NH2+][C@](C)(c2ccccc2)CN1CC(F)F ZINC000085531606 179091740 /nfs/dbraw/zinc/09/17/40/179091740.db2.gz CHUHRFTYHJMDLN-FZMZJTMJSA-N 1 0 254.324 2.461 10 0 CEAERO COCCCN1C[C@H](C2CCCCC2)[NH2+]C[C@@H]1C ZINC000085529599 179091932 /nfs/dbraw/zinc/09/19/32/179091932.db2.gz KOBLQNAVDIQUMR-DZGCQCFKSA-N 1 0 254.418 2.266 10 0 CEAERO CC[NH2+]C[C@@H]1Cc2cc(Br)ccc2O1 ZINC000085539582 179092618 /nfs/dbraw/zinc/09/26/18/179092618.db2.gz IJCNHLLOUTZBGD-JTQLQIEISA-N 1 0 256.143 2.362 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283.375 2.463 10 0 CEAERO C[C@H](Cn1cccn1)n1c2c(nc1C(C)(C)C)C[NH2+]CC2 ZINC000085574317 179099067 /nfs/dbraw/zinc/09/90/67/179099067.db2.gz LYEJTSIFWMQISH-GFCCVEGCSA-N 1 0 287.411 2.284 10 0 CEAERO c1ccc(-c2nc3c(n2C[C@H]2CCOC2)CC[NH2+]C3)cc1 ZINC000085606620 179100205 /nfs/dbraw/zinc/10/02/05/179100205.db2.gz QBIJFXRIISBMEN-CYBMUJFWSA-N 1 0 283.375 2.232 10 0 CEAERO c1ccc(C[C@H]2CN(Cc3ccccn3)CCC[NH2+]2)cc1 ZINC000085608724 179101467 /nfs/dbraw/zinc/10/14/67/179101467.db2.gz IYFXLZYSFZOYEW-SFHVURJKSA-N 1 0 281.403 2.488 10 0 CEAERO CCOCC[N@@H+]1CCCN[C@](C)(c2ccccc2)C1 ZINC000085615453 179104183 /nfs/dbraw/zinc/10/41/83/179104183.db2.gz AHGOAVSHLGBFJX-INIZCTEOSA-N 1 0 262.397 2.234 10 0 CEAERO Cc1cc(C)nc(N2CCC([C@@H]3CCC[NH2+]3)CC2)n1 ZINC000063201173 362760909 /nfs/dbraw/zinc/76/09/09/362760909.db2.gz OBFYRMNILQKWTA-AWEZNQCLSA-N 1 0 260.385 2.062 10 0 CEAERO CCN1CCC[C@H]1C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085670712 179111027 /nfs/dbraw/zinc/11/10/27/179111027.db2.gz 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N[C@@]1(C[NH+]2CCC(Cc3ccccc3)CC2)CCOC1 ZINC000085914639 179198087 /nfs/dbraw/zinc/19/80/87/179198087.db2.gz ROCJNAOHYKARIT-QGZVFWFLSA-N 1 0 274.408 2.059 10 0 CEAERO C[NH2+][C@H](CCO)C[S@](=O)c1cc(Cl)ccc1Cl ZINC000085926735 179202171 /nfs/dbraw/zinc/20/21/71/179202171.db2.gz CVXQWVONMAGLJP-VVVCHXIZSA-N 1 0 296.219 2.071 10 0 CEAERO CC(C)[C@H](CC[NH3+])CCC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000085986135 179211456 /nfs/dbraw/zinc/21/14/56/179211456.db2.gz MCJMCZXLNQEULM-KKUMJFAQSA-N 1 0 284.444 2.055 10 0 CEAERO CCCCc1ccc([C@H]([NH3+])[C@H]2CCS(=O)(=O)C2)cc1 ZINC000086020045 179217670 /nfs/dbraw/zinc/21/76/70/179217670.db2.gz CNYMYSUPKSPQBD-GJZGRUSLSA-N 1 0 281.421 2.464 10 0 CEAERO CC(C)(C)[C@H](CC[NH3+])CCC(=O)NC[C@H]1CCCC[C@@H]1O ZINC000085987098 179212473 /nfs/dbraw/zinc/21/24/73/179212473.db2.gz NVCZTBPTMBTUKD-ILXRZTDVSA-N 1 0 298.471 2.445 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CC[C@@H]1Sc1nnnn1C1CCCC1 ZINC000086044666 179222727 /nfs/dbraw/zinc/22/27/27/179222727.db2.gz LHLRPAIOBJGUPJ-IEBDPFPHSA-N 1 0 267.402 2.006 10 0 CEAERO Cc1cccc(C[S@@](=O)[C@H]2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000086042289 179222765 /nfs/dbraw/zinc/22/27/65/179222765.db2.gz JPHODYNYLLXWLP-MJFSBKNWSA-N 1 0 251.395 2.370 10 0 CEAERO CCC[NH2+][C@H]1CC[C@H](SCCC(=O)OC)[C@@H]1C ZINC000086043989 179222923 /nfs/dbraw/zinc/22/29/23/179222923.db2.gz RCJZACWFWRLREK-WOPDTQHZSA-N 1 0 259.415 2.449 10 0 CEAERO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OCC(N)=O)cc2)[C@@H]1C ZINC000086070443 179224494 /nfs/dbraw/zinc/22/44/94/179224494.db2.gz LGPWKFBAVDJDTI-LALPHHSUSA-N 1 0 276.380 2.075 10 0 CEAERO C[C@@H]1CC[C@@H](NC(=O)CC[C@@H]2CCCC[NH2+]2)[C@@H]1C ZINC000086076395 179225610 /nfs/dbraw/zinc/22/56/10/179225610.db2.gz BOZCWBXBZVCSRQ-YIYPIFLZSA-N 1 0 252.402 2.460 10 0 CEAERO C[C@@H]1CC[C@@H](NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)[C@@H]1C ZINC000086076343 179225669 /nfs/dbraw/zinc/22/56/69/179225669.db2.gz BPGHXTITUGMJOX-CZPYZCIJSA-N 1 0 272.392 2.252 10 0 CEAERO C[C@H]1[C@H](NC(=O)[C@@H]([NH3+])Cc2ccccc2)CC[C@@H]1C ZINC000086076484 179226053 /nfs/dbraw/zinc/22/60/53/179226053.db2.gz LUTGZTCGWDFWGE-MYZSUADSSA-N 1 0 260.381 2.107 10 0 CEAERO [NH3+][C@H](c1cc(Cl)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000086020258 179218155 /nfs/dbraw/zinc/21/81/55/179218155.db2.gz JYKGUWLCPPISNZ-HQJQHLMTSA-N 1 0 294.203 2.428 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000086026045 179219472 /nfs/dbraw/zinc/21/94/72/179219472.db2.gz AHDHATHGNHJYBG-ZFWWWQNUSA-N 1 0 299.411 2.171 10 0 CEAERO Cc1ccc(S(=O)(=O)[C@@H]2CC[C@H]([NH3+])[C@@H]2C)c(C)c1 ZINC000086040623 179221964 /nfs/dbraw/zinc/22/19/64/179221964.db2.gz DUACJZRGKGVFHF-SGMGOOAPSA-N 1 0 267.394 2.203 10 0 CEAERO Cc1cccc(CS(=O)(=O)[C@H]2CC[C@@H]([NH3+])[C@@H]2C)c1 ZINC000086041824 179222051 /nfs/dbraw/zinc/22/20/51/179222051.db2.gz MTINXRGQCRIDLK-YUTCNCBUSA-N 1 0 267.394 2.036 10 0 CEAERO C1CCC([C@H]2CN(C3CCOCC3)CC[NH2+]2)CC1 ZINC000086128111 179235804 /nfs/dbraw/zinc/23/58/04/179235804.db2.gz VCSNIKKVLCRFHE-OAHLLOKOSA-N 1 0 252.402 2.020 10 0 CEAERO c1ccc(C[C@@H]2CN(CCc3ccncc3)CC[NH2+]2)cc1 ZINC000086142000 179237486 /nfs/dbraw/zinc/23/74/86/179237486.db2.gz CMDRZFFAGYUTAE-GOSISDBHSA-N 1 0 281.403 2.141 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2ccc(Br)cc2)C1 ZINC000086089441 179228903 /nfs/dbraw/zinc/22/89/03/179228903.db2.gz JQHNJQXTQGCMGW-PSASIEDQSA-N 1 0 281.153 2.291 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)Nc2cccc(Br)c2)C1 ZINC000086089447 179229124 /nfs/dbraw/zinc/22/91/24/179229124.db2.gz UFUULYGDYJAZPU-WCBMZHEXSA-N 1 0 281.153 2.291 10 0 CEAERO c1ccc2c(c1)OC[C@@H]2N1CC[NH2+]C2(CCCC2)C1 ZINC000086150066 179240690 /nfs/dbraw/zinc/24/06/90/179240690.db2.gz HNRFVYJTPGCJKL-AWEZNQCLSA-N 1 0 258.365 2.338 10 0 CEAERO C[C@@H]1C[N@H+](C2CCOCC2)[C@H](c2ccccc2)CN1 ZINC000086154409 179241645 /nfs/dbraw/zinc/24/16/45/179241645.db2.gz LITXWVDROSUQIB-CJNGLKHVSA-N 1 0 260.381 2.200 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C(C)C)CN1CCc1cccnc1 ZINC000086171874 179242835 /nfs/dbraw/zinc/24/28/35/179242835.db2.gz FPJANBHHRRPACN-HOTGVXAUSA-N 1 0 261.413 2.333 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C(C)C)CN1CCc1ccncc1 ZINC000086171908 179243415 /nfs/dbraw/zinc/24/34/15/179243415.db2.gz HMKVVNDAXPATAQ-JKSUJKDBSA-N 1 0 261.413 2.333 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C(C)C)CN1CCc1cscn1 ZINC000086175778 179245744 /nfs/dbraw/zinc/24/57/44/179245744.db2.gz IYJGJAIZBCGYQA-KGLIPLIRSA-N 1 0 267.442 2.394 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C(C)C)CN1Cc1ccc(OC)nc1 ZINC000086175257 179245995 /nfs/dbraw/zinc/24/59/95/179245995.db2.gz PSEDWXXHEVBSBW-LSDHHAIUSA-N 1 0 277.412 2.299 10 0 CEAERO CSCCN1C[C@@H](Cc2ccccc2)[NH2+]C[C@@H]1C ZINC000086176007 179246591 /nfs/dbraw/zinc/24/65/91/179246591.db2.gz PQYUIJWUFLLVLW-DZGCQCFKSA-N 1 0 264.438 2.254 10 0 CEAERO C[C@@H]1C[NH2+][C@](C)(C2CC2)CN1CCc1cccnc1 ZINC000086223208 179251698 /nfs/dbraw/zinc/25/16/98/179251698.db2.gz UUNYRLLKVFOQCI-CJNGLKHVSA-N 1 0 259.397 2.087 10 0 CEAERO Cc1csc(CN2C[C@H](C3CC3)[NH2+]C[C@@H]2C)n1 ZINC000086227078 179253647 /nfs/dbraw/zinc/25/36/47/179253647.db2.gz BHWUONSBWDHRNS-CMPLNLGQSA-N 1 0 251.399 2.024 10 0 CEAERO CC[C@H]1C[NH2+]C(CC)(CC)CN1c1cnn(CCOC)c1 ZINC000086227213 179254528 /nfs/dbraw/zinc/25/45/28/179254528.db2.gz MJAVQDSHNGKKLW-AWEZNQCLSA-N 1 0 294.443 2.277 10 0 CEAERO [NH3+][C@H]1CCO[C@H]1c1cc(Br)ccc1F ZINC000086249355 179255331 /nfs/dbraw/zinc/25/53/31/179255331.db2.gz UGEHFNVMKCLNLH-UWVGGRQHSA-N 1 0 260.106 2.377 10 0 CEAERO Cc1noc(CN2CC(C)(C)[NH2+]C[C@@H]2c2ccccc2)n1 ZINC000086260265 179259240 /nfs/dbraw/zinc/25/92/40/179259240.db2.gz JZGJDIAKHZBEMX-CQSZACIVSA-N 1 0 286.379 2.303 10 0 CEAERO CC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1ccc(OC)nc1 ZINC000086263887 179260840 /nfs/dbraw/zinc/26/08/40/179260840.db2.gz UWAKTOMUXPXVKT-WBVHZDCISA-N 1 0 289.423 2.443 10 0 CEAERO CCC1(CC)CN(Cc2nccn2C)[C@@H](C(C)C)C[NH2+]1 ZINC000086264874 179261042 /nfs/dbraw/zinc/26/10/42/179261042.db2.gz GJJJHUONUWTGCI-CQSZACIVSA-N 1 0 278.444 2.409 10 0 CEAERO CC(C)C[C@H]1CN(Cc2nccn2C)[C@H](C(C)C)C[NH2+]1 ZINC000086264878 179261213 /nfs/dbraw/zinc/26/12/13/179261213.db2.gz XPZABXMKGFQHGG-GJZGRUSLSA-N 1 0 278.444 2.265 10 0 CEAERO COc1ccc(CCN2CCC[NH2+][C@@H](C3CC3)C2)cc1 ZINC000086269457 179261710 /nfs/dbraw/zinc/26/17/10/179261710.db2.gz QNFTXHZFASZAIN-QGZVFWFLSA-N 1 0 274.408 2.312 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC(C)C)CN1[C@@H]1CCCOC1 ZINC000086265247 179261884 /nfs/dbraw/zinc/26/18/84/179261884.db2.gz CQEVLBPFLPYLKF-RRFJBIMHSA-N 1 0 254.418 2.264 10 0 CEAERO C[C@H]1C[NH2+][C@@](C)(C2CC2)CN1CCc1cscn1 ZINC000086265542 179262148 /nfs/dbraw/zinc/26/21/48/179262148.db2.gz SWKGHSSMUXNGIF-SMDDNHRTSA-N 1 0 265.426 2.148 10 0 CEAERO C[C@@H]1CN[C@](C)(c2ccccc2)C[N@@H+]1[C@@H]1CCCOC1 ZINC000086265221 179262281 /nfs/dbraw/zinc/26/22/81/179262281.db2.gz JLLFEPIUGLKBMW-OIISXLGYSA-N 1 0 274.408 2.375 10 0 CEAERO [NH3+]C[C@H]1CCCN(c2nc(Br)cs2)C1 ZINC000086290645 179265312 /nfs/dbraw/zinc/26/53/12/179265312.db2.gz XPMMEHIHQCSIHL-SSDOTTSWSA-N 1 0 276.203 2.081 10 0 CEAERO C[C@@H]1CN[C@@](C)(C2CC2)C[N@@H+]1CC[C@@H]1CCCO1 ZINC000086258790 179256382 /nfs/dbraw/zinc/25/63/82/179256382.db2.gz XUZDKINOIFZROK-VHDGCEQUSA-N 1 0 252.402 2.018 10 0 CEAERO [NH3+]CC[C@H]1CCCN(c2nc(Br)cs2)C1 ZINC000086290904 179265713 /nfs/dbraw/zinc/26/57/13/179265713.db2.gz BASQJHFIDGOWCT-MRVPVSSYSA-N 1 0 290.230 2.471 10 0 CEAERO CCC[C@H](C[NH3+])Nc1nc(Br)cs1 ZINC000086290986 179265849 /nfs/dbraw/zinc/26/58/49/179265849.db2.gz WESMMLDRURTNAD-ZCFIWIBFSA-N 1 0 264.192 2.445 10 0 CEAERO CCOC[C@H](C)[N@@H+]1CCCN[C@H](c2ccccc2)C1 ZINC000086292058 179266594 /nfs/dbraw/zinc/26/65/94/179266594.db2.gz HPMYSJQUSXMVLE-HOCLYGCPSA-N 1 0 262.397 2.448 10 0 CEAERO Cc1cnc(CN2CCC[NH2+][C@@H](c3ccccc3)C2)cn1 ZINC000086295527 179268329 /nfs/dbraw/zinc/26/83/29/179268329.db2.gz RIHSDJMHGJSYOZ-QGZVFWFLSA-N 1 0 282.391 2.322 10 0 CEAERO COCC[C@H](C)[N@@H+]1CCCN[C@H](c2ccccc2)C1 ZINC000086300160 179268811 /nfs/dbraw/zinc/26/88/11/179268811.db2.gz TZZWQPCHRHDKSM-HOCLYGCPSA-N 1 0 262.397 2.448 10 0 CEAERO COc1ccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000128611185 187380081 /nfs/dbraw/zinc/38/00/81/187380081.db2.gz TYZAWJDRMWHRQZ-OAHLLOKOSA-N 1 0 286.379 2.199 10 0 CEAERO C[C@@]1([NH2+]Cc2cc(Cl)cs2)CCS(=O)(=O)C1 ZINC000086332388 179273279 /nfs/dbraw/zinc/27/32/79/179273279.db2.gz OGBGNDDWYYUYSX-SNVBAGLBSA-N 1 0 279.814 2.068 10 0 CEAERO Brc1ccc(OCCC2C[NH2+]C2)cc1 ZINC000086395006 179285129 /nfs/dbraw/zinc/28/51/29/179285129.db2.gz LYLJAKOSIUJQOY-UHFFFAOYSA-N 1 0 256.143 2.437 10 0 CEAERO CC[C@@H]1CN(c2nc3c(s2)CCC[C@@H]3[NH3+])CCO1 ZINC000086442756 179293664 /nfs/dbraw/zinc/29/36/64/179293664.db2.gz ASVJDVFURYCQEG-ZJUUUORDSA-N 1 0 267.398 2.094 10 0 CEAERO CCC[NH+]1CCN(c2nc3c(s2)CCC[C@H]3O)CC1 ZINC000086444358 179294699 /nfs/dbraw/zinc/29/46/99/179294699.db2.gz DNWFPQFLTPDFOI-LLVKDONJSA-N 1 0 281.425 2.045 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(c2nc3c(s2)CCC[C@H]3O)CC1 ZINC000086444734 179294853 /nfs/dbraw/zinc/29/48/53/179294853.db2.gz YFYAWCMAUXJODR-VXGBXAGGSA-N 1 0 295.452 2.433 10 0 CEAERO CC[C@H]1CN(C(=O)c2cccc(C)c2O)[C@@H](CC)C[NH2+]1 ZINC000086445990 179294871 /nfs/dbraw/zinc/29/48/71/179294871.db2.gz PQLAMFVHDIAWFR-STQMWFEESA-N 1 0 276.380 2.303 10 0 CEAERO CC[C@@H]1CN(C(=O)CCc2ccco2)[C@@H](CC)C[NH2+]1 ZINC000086447328 179295761 /nfs/dbraw/zinc/29/57/61/179295761.db2.gz HVLLWMJFWPWADI-OLZOCXBDSA-N 1 0 264.369 2.201 10 0 CEAERO CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H](C)COC)c1 ZINC000103431139 185839964 /nfs/dbraw/zinc/83/99/64/185839964.db2.gz ZTERDNGLHDLALJ-AWEZNQCLSA-N 1 0 292.423 2.427 10 0 CEAERO NC1=[NH+]C[C@H](C2CC2)N1c1ccccc1Br ZINC000086474535 179300617 /nfs/dbraw/zinc/30/06/17/179300617.db2.gz YBRMVFMKUAZVAD-LLVKDONJSA-N 1 0 280.169 2.362 10 0 CEAERO Nc1ccc(Br)cc1SCCC[NH3+] ZINC000086478979 179300798 /nfs/dbraw/zinc/30/07/98/179300798.db2.gz WTEYGIAYVCNBMP-UHFFFAOYSA-N 1 0 261.188 2.472 10 0 CEAERO c1ccc2c(c1)C[C@@H]2c1noc(CC[NH2+]C2CC2)n1 ZINC000086486274 179302041 /nfs/dbraw/zinc/30/20/41/179302041.db2.gz DDDIHDWQWKEVOG-ZDUSSCGKSA-N 1 0 255.321 2.052 10 0 CEAERO CC[C@H]([NH3+])Cc1ccnc([C@@H]2Cc3ccccc32)n1 ZINC000086490801 179302340 /nfs/dbraw/zinc/30/23/40/179302340.db2.gz YFRIWRLTTAGUNH-SWLSCSKDSA-N 1 0 253.349 2.444 10 0 CEAERO [NH2+]=C1NC[C@@H](c2cc(Cl)ccc2Br)N1 ZINC000086457429 179296188 /nfs/dbraw/zinc/29/61/88/179296188.db2.gz XQWBDQQWMAQFAC-QMMMGPOBSA-N 1 0 274.549 2.062 10 0 CEAERO CC[C@@H]1CN(Cc2nnc(-c3ccco3)o2)[C@@H](CC)C[NH2+]1 ZINC000086463670 179296265 /nfs/dbraw/zinc/29/62/65/179296265.db2.gz KAZPKOFDUBSHFW-NEPJUHHUSA-N 1 0 290.367 2.292 10 0 CEAERO CN1C(=[NH2+])NC[C@]1(C)c1ccc(Cl)c(Cl)c1 ZINC000086458229 179296444 /nfs/dbraw/zinc/29/64/44/179296444.db2.gz KXGVMTBODYAKJR-LLVKDONJSA-N 1 0 258.152 2.469 10 0 CEAERO Cc1ccc(-c2nnc(CN3C[C@H](C)[NH2+]C[C@@H]3C)o2)cc1 ZINC000086470425 179299879 /nfs/dbraw/zinc/29/98/79/179299879.db2.gz HLYQWFCKHDKWEP-STQMWFEESA-N 1 0 286.379 2.227 10 0 CEAERO CCCC1(CCC)CC(C[NH2+]C)(S(C)(=O)=O)C1 ZINC000086541665 179307231 /nfs/dbraw/zinc/30/72/31/179307231.db2.gz KGNJTJSUEWFSMP-UHFFFAOYSA-N 1 0 261.431 2.370 10 0 CEAERO C[C@](O)(CC[NH3+])c1cscc1Br ZINC000086558373 179307551 /nfs/dbraw/zinc/30/75/51/179307551.db2.gz YEMOJZBDBBBYFP-QMMMGPOBSA-N 1 0 250.161 2.067 10 0 CEAERO C[C@@H]1CN(c2cscc2Br)CC[NH2+]1 ZINC000086556315 179307746 /nfs/dbraw/zinc/30/77/46/179307746.db2.gz DUPJXTRYLPBNGR-SSDOTTSWSA-N 1 0 261.188 2.309 10 0 CEAERO COc1ccc2[nH]c(-c3sc(C[NH3+])nc3C)nc2c1 ZINC000086576238 179308325 /nfs/dbraw/zinc/30/83/25/179308325.db2.gz PQVFQTDACBSBDB-UHFFFAOYSA-N 1 0 274.349 2.462 10 0 CEAERO CO[C@@H](C)[C@H]([NH3+])Cc1sccc1Br ZINC000086575829 179308772 /nfs/dbraw/zinc/30/87/72/179308772.db2.gz UOOOTHRVOSBPDK-POYBYMJQSA-N 1 0 264.188 2.415 10 0 CEAERO COC(=O)CCC[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC000086585482 179310040 /nfs/dbraw/zinc/31/00/40/179310040.db2.gz VBQAXAJZPWTJCS-UHFFFAOYSA-N 1 0 271.744 2.391 10 0 CEAERO CCCn1c2ccc(C[NH3+])cc2nc1-c1ccnn1C ZINC000086641394 179314703 /nfs/dbraw/zinc/31/47/03/179314703.db2.gz HJUCFQYSWVMDBQ-UHFFFAOYSA-N 1 0 269.352 2.306 10 0 CEAERO Cc1sc2ncnc(NC[C@@H](C)C[NH3+])c2c1C ZINC000086634403 179315273 /nfs/dbraw/zinc/31/52/73/179315273.db2.gz ZQWJVWSLNSWKNO-ZETCQYMHSA-N 1 0 250.371 2.315 10 0 CEAERO C[N@@H+]1CC[C@H](CNc2nc(Cl)ncc2Cl)C1 ZINC000086621959 179311722 /nfs/dbraw/zinc/31/17/22/179311722.db2.gz OMYLKTPQGHVPIF-SSDOTTSWSA-N 1 0 261.156 2.147 10 0 CEAERO COC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)NC(=O)CO2)C(C)C ZINC000086695548 179321123 /nfs/dbraw/zinc/32/11/23/179321123.db2.gz OAZYJILVIACKFQ-FZMZJTMJSA-N 1 0 292.379 2.339 10 0 CEAERO COC[C@@H]([NH2+]C[C@@H](O)COCCCC(C)C)C(C)C ZINC000086700592 179321415 /nfs/dbraw/zinc/32/14/15/179321415.db2.gz GSSJCCROEYPAQR-HUUCEWRRSA-N 1 0 275.433 2.061 10 0 CEAERO Cc1nc(S[C@@H](C[NH3+])C(F)(F)F)nc(C)c1C ZINC000086643393 179316059 /nfs/dbraw/zinc/31/60/59/179316059.db2.gz KMWVWTBTKVZBEY-QMMMGPOBSA-N 1 0 265.304 2.384 10 0 CEAERO C[NH2+][C@@](C)(CO)C[C@@H](C)Sc1nc(C)c(C)c(C)n1 ZINC000086646842 179316637 /nfs/dbraw/zinc/31/66/37/179316637.db2.gz ZEEQNLBRRQCZJV-YMTOWFKASA-N 1 0 283.441 2.243 10 0 CEAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]2S(C)(=O)=O)o1 ZINC000086672820 179318110 /nfs/dbraw/zinc/31/81/10/179318110.db2.gz CSUHOTLMKKQVPN-GVXVVHGQSA-N 1 0 271.382 2.204 10 0 CEAERO CS(=O)(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000086675828 179318438 /nfs/dbraw/zinc/31/84/38/179318438.db2.gz PFZUYJJJAYLFRJ-OWCLPIDISA-N 1 0 293.432 2.099 10 0 CEAERO Cc1ccccc1C[NH2+][C@H]1CCC[C@H]1S(C)(=O)=O ZINC000086674778 179318783 /nfs/dbraw/zinc/31/87/83/179318783.db2.gz RSESOHLLAIQQFG-UONOGXRCSA-N 1 0 267.394 2.050 10 0 CEAERO CS(=O)(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000086676158 179319614 /nfs/dbraw/zinc/31/96/14/179319614.db2.gz GYKFYBBJFOZAPP-UWVGGRQHSA-N 1 0 293.841 2.457 10 0 CEAERO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000130327144 365946266 /nfs/dbraw/zinc/94/62/66/365946266.db2.gz NLRYCCLXWWKWHY-CQSZACIVSA-N 1 0 271.368 2.073 10 0 CEAERO CN(Cc1cnc(Cl)s1)C[C@@H]1CC[N@H+](C)C1 ZINC000086776867 179328791 /nfs/dbraw/zinc/32/87/91/179328791.db2.gz QWWLQVFANSXECT-SECBINFHSA-N 1 0 259.806 2.180 10 0 CEAERO CC(C)C1CCC(C[NH3+])(OCCn2cccn2)CC1 ZINC000086713536 179322720 /nfs/dbraw/zinc/32/27/20/179322720.db2.gz DWRBUNVVMHNVKP-UHFFFAOYSA-N 1 0 265.401 2.443 10 0 CEAERO CCC[NH+]1CCC([N@@H+]2CCC[C@@](CC)(C(=O)[O-])C2)CC1 ZINC000086784315 179332586 /nfs/dbraw/zinc/33/25/86/179332586.db2.gz YCKZDTHENVZRCX-MRXNPFEDSA-N 1 0 282.428 2.438 10 0 CEAERO C[N@@H+]1CCC[C@@](O)(Cc2ccc(F)cc2F)CC1 ZINC000086834174 179349188 /nfs/dbraw/zinc/34/91/88/179349188.db2.gz QWTPLZUVMJUZSF-AWEZNQCLSA-N 1 0 255.308 2.354 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cccn1Cc1ccccc1 ZINC000309795089 539598555 /nfs/dbraw/zinc/59/85/55/539598555.db2.gz JGTKVOVBVNMGHL-GOEBONIOSA-N 1 0 297.402 2.407 10 0 CEAERO CCC[N@@H+]1CCC[C@H](N[C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000086841708 179353240 /nfs/dbraw/zinc/35/32/40/179353240.db2.gz DEZJIIRRNVFFHY-HOTGVXAUSA-N 1 0 295.471 2.242 10 0 CEAERO CC[N@@H+]1CCC[C@@H](N[C@@H](CO)c2ccccc2)CC1 ZINC000086844735 179355452 /nfs/dbraw/zinc/35/54/52/179355452.db2.gz QLCTXYZLYIQQMW-CVEARBPZSA-N 1 0 262.397 2.184 10 0 CEAERO [NH3+]C1(CC(=O)Nc2ccc(Br)cn2)CCC1 ZINC000086853135 179359664 /nfs/dbraw/zinc/35/96/64/179359664.db2.gz URFQWGJUGASAAT-UHFFFAOYSA-N 1 0 284.157 2.054 10 0 CEAERO CCCc1nc([C@@]2(N)CCC[N@@H+](C(C)C)CC2)no1 ZINC000086851738 179359787 /nfs/dbraw/zinc/35/97/87/179359787.db2.gz NPHFDCKSIHMPEH-CQSZACIVSA-N 1 0 266.389 2.070 10 0 CEAERO CCC[C@H]([NH2+][C@@H]1CCC[N@H+](CCC)CC1)C(=O)[O-] ZINC000086868669 179361506 /nfs/dbraw/zinc/36/15/06/179361506.db2.gz PXJJWANKMOMXFV-OLZOCXBDSA-N 1 0 256.390 2.094 10 0 CEAERO COc1cccc(CN(C)[C@@]2(C[NH3+])CCCOCC2)c1 ZINC000086875142 179364970 /nfs/dbraw/zinc/36/49/70/179364970.db2.gz WHRCRHZFANDRHP-INIZCTEOSA-N 1 0 278.396 2.025 10 0 CEAERO CC(C)[N@@H+]1CCC[C@H]([NH+](C)CCCC(=O)[O-])CC1 ZINC000086869217 179361875 /nfs/dbraw/zinc/36/18/75/179361875.db2.gz QLJIZYXVOAOWGT-ZDUSSCGKSA-N 1 0 256.390 2.046 10 0 CEAERO CCC[N@@H+]1CCC[C@H]([NH+](C)C(C)(C)C(=O)[O-])CC1 ZINC000086868955 179362308 /nfs/dbraw/zinc/36/23/08/179362308.db2.gz YZVYSONIHSXXSS-LBPRGKRZSA-N 1 0 256.390 2.046 10 0 CEAERO COc1ccc([C@@]2([NH3+])CCCOCC2)c(OC)c1 ZINC000086870500 179363153 /nfs/dbraw/zinc/36/31/53/179363153.db2.gz RUGMDZMBVSRBEP-CQSZACIVSA-N 1 0 251.326 2.058 10 0 CEAERO CCS(=O)(=O)CCC[C@@H](Cc1cccc(F)c1)[NH2+]C ZINC000086978995 179372630 /nfs/dbraw/zinc/37/26/30/179372630.db2.gz VBGSCLVCEKWYTF-AWEZNQCLSA-N 1 0 287.400 2.171 10 0 CEAERO CCS(=O)(=O)CCC[C@]1([NH3+])C[C@H](C)CC[C@@H]1C ZINC000086977527 179372713 /nfs/dbraw/zinc/37/27/13/179372713.db2.gz YFKOTJFRSLMYAX-AGIUHOORSA-N 1 0 261.431 2.355 10 0 CEAERO CCS(=O)(=O)CCC[C@]1([NH3+])C[C@@H](C)CC[C@@H]1C ZINC000086977533 179372770 /nfs/dbraw/zinc/37/27/70/179372770.db2.gz YFKOTJFRSLMYAX-AVGNSLFASA-N 1 0 261.431 2.355 10 0 CEAERO CC[NH2+][C@H](CCCS(=O)(=O)CC)c1ccco1 ZINC000086979404 179373120 /nfs/dbraw/zinc/37/31/20/179373120.db2.gz BQKLXDZBSCTVPJ-LLVKDONJSA-N 1 0 259.371 2.145 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH3+])c1cc(F)ccc1F ZINC000086979682 179373170 /nfs/dbraw/zinc/37/31/70/179373170.db2.gz YXCJHWRSGNSJBK-LBPRGKRZSA-N 1 0 277.336 2.180 10 0 CEAERO COC1CC[NH+]([C@@]2(CN)CCC[C@@H](C)CC2)CC1 ZINC000086890608 179366242 /nfs/dbraw/zinc/36/62/42/179366242.db2.gz RQBUOBZCUDSSAA-HIFRSBDPSA-N 1 0 254.418 2.395 10 0 CEAERO CC[C@@H]1CCC[C@@](CO)([NH2+]C[C@@H]2CCCO2)CC1 ZINC000086920856 179368015 /nfs/dbraw/zinc/36/80/15/179368015.db2.gz AWFASPMIYJYQHR-QLFBSQMISA-N 1 0 255.402 2.476 10 0 CEAERO CC(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCS(=O)(=O)C2)CC1 ZINC000086922022 179368105 /nfs/dbraw/zinc/36/81/05/179368105.db2.gz PICFBEJDECHBAA-MGPQQGTHSA-N 1 0 273.442 2.368 10 0 CEAERO CCC[C@@H]1CCC[C@](CO)([NH2+]CCN(C)C)CC1 ZINC000086952246 179368490 /nfs/dbraw/zinc/36/84/90/179368490.db2.gz ATFRPCCYEIIOFE-CABCVRRESA-N 1 0 256.434 2.249 10 0 CEAERO CCC[C@@H]1CCC[C@](C(=O)[O-])([N@@H+]2CCC[NH2+]CC2)CC1 ZINC000086949797 179368751 /nfs/dbraw/zinc/36/87/51/179368751.db2.gz QKIAOFNKCWZOGL-ZBFHGGJFSA-N 1 0 282.428 2.486 10 0 CEAERO CN(C)CC[NH2+][C@@]1(CO)CCC[C@@H](C(C)(C)C)CC1 ZINC000086962046 179369271 /nfs/dbraw/zinc/36/92/71/179369271.db2.gz GBZOEPQYLRRFHE-ZBFHGGJFSA-N 1 0 270.461 2.495 10 0 CEAERO CCS(=O)(=O)CCCOc1cc(C)ccc1[C@@H](C)[NH3+] ZINC000086973103 179371261 /nfs/dbraw/zinc/37/12/61/179371261.db2.gz VINWEJUOXAJGDD-GFCCVEGCSA-N 1 0 285.409 2.218 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]1CCCCC[C@H]1[NH2+]C ZINC000086976397 179371968 /nfs/dbraw/zinc/37/19/68/179371968.db2.gz WBRYFGCPVMGAGK-QWHCGFSZSA-N 1 0 261.431 2.370 10 0 CEAERO CCC(O)(CC)C[NH2+]Cc1ccc(O)c(OC)c1 ZINC000087013851 179379597 /nfs/dbraw/zinc/37/95/97/179379597.db2.gz RVJUYMUVNMFGLI-UHFFFAOYSA-N 1 0 253.342 2.042 10 0 CEAERO Oc1ccc2c(c1)OC[C@@H]2[NH2+]CC1(O)CCCCC1 ZINC000087016957 179380750 /nfs/dbraw/zinc/38/07/50/179380750.db2.gz LQUJKEYZRBUUEP-ZDUSSCGKSA-N 1 0 263.337 2.111 10 0 CEAERO CC(C)[C@@H](CC[NH3+])CCC(=O)NCC1(O)CCCCC1 ZINC000087027477 179381718 /nfs/dbraw/zinc/38/17/18/179381718.db2.gz WJQXFBUZEAGVEG-CQSZACIVSA-N 1 0 284.444 2.199 10 0 CEAERO CCC(O)(CC)C[NH2+]C[C@H]1OCCc2ccccc21 ZINC000087028391 179381819 /nfs/dbraw/zinc/38/18/19/179381819.db2.gz CPBFIDOAQIDYPO-OAHLLOKOSA-N 1 0 263.381 2.441 10 0 CEAERO Cc1nc([C@@H]2CSCCS2)nc(C)c1C[NH3+] ZINC000086985425 179374862 /nfs/dbraw/zinc/37/48/62/179374862.db2.gz ODLIYDDYDPYFAQ-JTQLQIEISA-N 1 0 255.412 2.073 10 0 CEAERO COCCN1CCCC[C@@H]([NH3+])[C@@H]1c1ccc(OC)c(F)c1 ZINC000086995456 179376159 /nfs/dbraw/zinc/37/61/59/179376159.db2.gz WXYINOCMDHXTGN-ZBFHGGJFSA-N 1 0 296.386 2.335 10 0 CEAERO C[C@@H]1CCC[C@H](C[NH3+])N1C(=O)c1c(F)cc(F)cc1F ZINC000086998021 179377555 /nfs/dbraw/zinc/37/75/55/179377555.db2.gz WLJVJUKJPDEEPS-PSASIEDQSA-N 1 0 286.297 2.446 10 0 CEAERO C[NH2+][C@@H](C)c1nnc(-c2c(F)cc(F)cc2F)o1 ZINC000086998760 179377833 /nfs/dbraw/zinc/37/78/33/179377833.db2.gz BPEUEODGFPCEGY-YFKPBYRVSA-N 1 0 257.215 2.434 10 0 CEAERO C[NH2+][C@H](C)c1nnc(-c2c(F)cc(F)cc2F)o1 ZINC000086998763 179378158 /nfs/dbraw/zinc/37/81/58/179378158.db2.gz BPEUEODGFPCEGY-RXMQYKEDSA-N 1 0 257.215 2.434 10 0 CEAERO Cc1nccc(C[NH2+]CC2(O)CCC(C)(C)CC2)n1 ZINC000087048214 179388062 /nfs/dbraw/zinc/38/80/62/179388062.db2.gz MOAGJFOYTCTOAP-UHFFFAOYSA-N 1 0 263.385 2.206 10 0 CEAERO CC[C@](C)([NH3+])C(=O)Nc1cc(Br)ccc1O ZINC000087049228 179388670 /nfs/dbraw/zinc/38/86/70/179388670.db2.gz ZXLHYABYJZZJJG-NSHDSACASA-N 1 0 287.157 2.221 10 0 CEAERO CCOC(=O)N1CCC([NH2+]C[C@]2(O)CCC[C@H](C)C2)CC1 ZINC000087050817 179389017 /nfs/dbraw/zinc/38/90/17/179389017.db2.gz BYUCIYBVSKQOPC-BBRMVZONSA-N 1 0 298.427 2.138 10 0 CEAERO CCSC[C@@H]([NH3+])Cc1ncc(C)c(OC)c1C ZINC000087105622 179394740 /nfs/dbraw/zinc/39/47/40/179394740.db2.gz CQUKNQFTJZWFEV-NSHDSACASA-N 1 0 254.399 2.330 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1c1nc(CSC(C)(C)C)no1 ZINC000087116019 179395136 /nfs/dbraw/zinc/39/51/36/179395136.db2.gz MQVUCKMOVRKJAS-RKDXNWHRSA-N 1 0 255.387 2.424 10 0 CEAERO COc1ccc([C@@H](O)C[NH2+]CC2(O)CCC(C)CC2)cc1 ZINC000087061931 179389506 /nfs/dbraw/zinc/38/95/06/179389506.db2.gz OTXACDPOYQEPNV-PWZRNIHTSA-N 1 0 293.407 2.259 10 0 CEAERO CC1CCC(O)(C[NH2+]C[C@@](C)(O)c2ccccc2)CC1 ZINC000087062941 179389680 /nfs/dbraw/zinc/38/96/80/179389680.db2.gz WNWZRPOCEOENOS-ARWYELJZSA-N 1 0 277.408 2.425 10 0 CEAERO COc1cccc(C[NH2+]C[C@]2(O)CCC[C@H](C)C2)n1 ZINC000087064093 179389865 /nfs/dbraw/zinc/38/98/65/179389865.db2.gz YHWKXGTUSOKKAK-WFASDCNBSA-N 1 0 264.369 2.121 10 0 CEAERO CC1(C)CCC(O)(CNC(=O)CC[C@@H]2CCCC[NH2+]2)CC1 ZINC000087069054 179391428 /nfs/dbraw/zinc/39/14/28/179391428.db2.gz RQIJRCYIUXFMJU-AWEZNQCLSA-N 1 0 296.455 2.356 10 0 CEAERO CCCC1(C(=O)NC[C@@]2(O)CCC[C@H](C)C2)CC[NH2+]CC1 ZINC000087069376 179391444 /nfs/dbraw/zinc/39/14/44/179391444.db2.gz BOIFXGNRIDWWKG-WMLDXEAASA-N 1 0 296.455 2.214 10 0 CEAERO CCC1CCC(O)(CNC(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000087070198 179391487 /nfs/dbraw/zinc/39/14/87/179391487.db2.gz SVIAJRUMJMCZES-ISXOHVOVSA-N 1 0 296.455 2.214 10 0 CEAERO CCC1CCC(O)(CNC(=[NH2+])NC(C)(C)C)CC1 ZINC000087076083 179392214 /nfs/dbraw/zinc/39/22/14/179392214.db2.gz RJUGGRZIQWLDHB-UHFFFAOYSA-N 1 0 255.406 2.230 10 0 CEAERO Cc1nc(C)c(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)o1 ZINC000670991204 539614557 /nfs/dbraw/zinc/61/45/57/539614557.db2.gz GYHMLUBKOZYNIB-UKRRQHHQSA-N 1 0 264.369 2.418 10 0 CEAERO CC[C@H]1C[NH2+]C[C@@H](c2cc(OC)c(OC)c(OC)c2)O1 ZINC000087090257 179393962 /nfs/dbraw/zinc/39/39/62/179393962.db2.gz NHBVIMIBBPBOFD-FZMZJTMJSA-N 1 0 281.352 2.152 10 0 CEAERO [NH3+][C@@H]1CCN(c2ccc(Cl)c(Br)c2)C1=O ZINC000087153167 179397842 /nfs/dbraw/zinc/39/78/42/179397842.db2.gz FDXNSNWYGBNOMP-SECBINFHSA-N 1 0 289.560 2.167 10 0 CEAERO O[C@]1(Cc2cccc(C(F)(F)F)c2)CCC[NH2+]C1 ZINC000087172517 179399101 /nfs/dbraw/zinc/39/91/01/179399101.db2.gz ROGZFNNZXBDXHA-LBPRGKRZSA-N 1 0 259.271 2.362 10 0 CEAERO C[NH2+][C@@H](CC[C@H]1CCCO1)c1ccc2c(c1)C(=O)NCC2 ZINC000087215386 179402538 /nfs/dbraw/zinc/40/25/38/179402538.db2.gz YRCDKZMFGDICLF-ZBFHGGJFSA-N 1 0 288.391 2.192 10 0 CEAERO C[NH2+][C@H](CSCC(C)C)Cc1ccnc(N)c1 ZINC000087122984 179396181 /nfs/dbraw/zinc/39/61/81/179396181.db2.gz DXBWXWVMXJJZMM-LBPRGKRZSA-N 1 0 253.415 2.184 10 0 CEAERO CCOCCCOc1c(C[NH2+]C)cccc1OC ZINC000087324577 179412444 /nfs/dbraw/zinc/41/24/44/179412444.db2.gz KXEXCVVHRVVXCK-UHFFFAOYSA-N 1 0 253.342 2.220 10 0 CEAERO COc1cc(-c2cnc(CCC[NH3+])o2)cc(OC)c1OC ZINC000087328411 179413621 /nfs/dbraw/zinc/41/36/21/179413621.db2.gz CUTSXLZEWDREGF-UHFFFAOYSA-N 1 0 292.335 2.259 10 0 CEAERO CC[C@H](CC[NH3+])CNc1ncncc1Br ZINC000087374502 179417216 /nfs/dbraw/zinc/41/72/16/179417216.db2.gz LPTZHOPMODUADA-MRVPVSSYSA-N 1 0 273.178 2.026 10 0 CEAERO CC(C)[C@@H](C[NH3+])NC(=O)[C@@H](C)Oc1cccc(Cl)c1 ZINC000087402983 179419544 /nfs/dbraw/zinc/41/95/44/179419544.db2.gz WAMABICIEHWNMB-ZWNOBZJWSA-N 1 0 284.787 2.207 10 0 CEAERO NC(=[NH2+])SCCCc1nc(-c2cccs2)no1 ZINC000087464370 179429732 /nfs/dbraw/zinc/42/97/32/179429732.db2.gz BIZSUVXMSXVEDK-UHFFFAOYSA-N 1 0 268.367 2.357 10 0 CEAERO CCC[NH2+][C@H](CC[C@@H]1CCCO1)c1cnn(C)c1 ZINC000087423623 179423818 /nfs/dbraw/zinc/42/38/18/179423818.db2.gz IFZFTGHYCXNGOV-UONOGXRCSA-N 1 0 251.374 2.420 10 0 CEAERO CC[NH2+][C@H]1CCCCC[C@@H]1c1nc(-c2cnn(C)c2)no1 ZINC000087427163 179424381 /nfs/dbraw/zinc/42/43/81/179424381.db2.gz MNYXINVJRQQZPP-STQMWFEESA-N 1 0 289.383 2.496 10 0 CEAERO CC[NH2+][C@@H](C)[C@H](c1nc(-c2ccn(C)n2)no1)C(C)C ZINC000087426725 179424539 /nfs/dbraw/zinc/42/45/39/179424539.db2.gz JWRLJUGBQSAMST-CMPLNLGQSA-N 1 0 277.372 2.208 10 0 CEAERO Cc1nc(CCN2CC[N@@H+]3CCCC[C@@H]3C2)cs1 ZINC000128910475 187398195 /nfs/dbraw/zinc/39/81/95/187398195.db2.gz YKLXBHYYLVXCGJ-CQSZACIVSA-N 1 0 265.426 2.164 10 0 CEAERO Cc1nc(CN(C)C(=O)C(C)(C)C(C)(C)[NH3+])cs1 ZINC000087629280 179459011 /nfs/dbraw/zinc/45/90/11/179459011.db2.gz RHZYCINMHPWREF-UHFFFAOYSA-N 1 0 269.414 2.173 10 0 CEAERO CC[NH2+]Cc1coc(-c2cc(OC)ccc2OC)n1 ZINC000087680458 179469225 /nfs/dbraw/zinc/46/92/25/179469225.db2.gz DUZHNFWAULEHJT-UHFFFAOYSA-N 1 0 262.309 2.468 10 0 CEAERO CN(C(=O)CCC(C)(C)CC[NH3+])[C@H]1CCSC1 ZINC000087684242 179470544 /nfs/dbraw/zinc/47/05/44/179470544.db2.gz IYSMTERWAHBZGE-NSHDSACASA-N 1 0 258.431 2.106 10 0 CEAERO CCO[C@H]1CCCN(C(=O)CCC(C)(C)CC[NH3+])C1 ZINC000087700294 179472943 /nfs/dbraw/zinc/47/29/43/179472943.db2.gz KGVJJULCSYXDFS-ZDUSSCGKSA-N 1 0 270.417 2.169 10 0 CEAERO Cc1nnc(SCc2cccc(F)c2F)n1CC[NH3+] ZINC000087711327 179476312 /nfs/dbraw/zinc/47/63/12/179476312.db2.gz NFCCHCBRNZOXGE-UHFFFAOYSA-N 1 0 284.335 2.116 10 0 CEAERO CC[C@H](C[NH3+])C(=O)Nc1cc(Cl)ccc1OC ZINC000087514960 179438101 /nfs/dbraw/zinc/43/81/01/179438101.db2.gz GPJNHXJLBIKMRR-MRVPVSSYSA-N 1 0 256.733 2.272 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000087523421 179440332 /nfs/dbraw/zinc/44/03/32/179440332.db2.gz KVFATFGQCSMNLN-ZETCQYMHSA-N 1 0 276.258 2.351 10 0 CEAERO CC[C@H](C[NH3+])C(=O)N1CCc2sccc2[C@H]1C ZINC000087528806 179441406 /nfs/dbraw/zinc/44/14/06/179441406.db2.gz ULSYDWRCFDSVLA-NXEZZACHSA-N 1 0 252.383 2.179 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)Nc1cccc(C(=O)OCC)c1 ZINC000087532628 179441819 /nfs/dbraw/zinc/44/18/19/179441819.db2.gz SCQMDZIRFCVOMA-LBPRGKRZSA-N 1 0 278.352 2.177 10 0 CEAERO CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](CC)C[NH3+] ZINC000087532047 179441947 /nfs/dbraw/zinc/44/19/47/179441947.db2.gz CVZGZRBSMRRFTM-SECBINFHSA-N 1 0 298.408 2.411 10 0 CEAERO C[NH2+]C1(CC(=O)NCC2(O)CCCCC2)CCCCC1 ZINC000087578087 179448953 /nfs/dbraw/zinc/44/89/53/179448953.db2.gz DJPLYBRDJMNZEJ-UHFFFAOYSA-N 1 0 282.428 2.110 10 0 CEAERO C[NH2+]C1(CC(=O)NC2(CO)CCC(C)CC2)CCCCC1 ZINC000087577739 179449029 /nfs/dbraw/zinc/44/90/29/179449029.db2.gz CPNSENPBSGFXAN-UHFFFAOYSA-N 1 0 296.455 2.356 10 0 CEAERO Cc1cc(Cn2nnnc2C[NH2+]CC(C)C)sc1C ZINC000087582923 179450856 /nfs/dbraw/zinc/45/08/56/179450856.db2.gz QMUZFDSSXDWLEC-UHFFFAOYSA-N 1 0 279.413 2.145 10 0 CEAERO CC[C@H](C)N(C)c1cc(NN)[nH+]c(C(C)(C)C)n1 ZINC000087909479 179517120 /nfs/dbraw/zinc/51/71/20/179517120.db2.gz YVNIJBYFKFZQQV-VIFPVBQESA-N 1 0 251.378 2.294 10 0 CEAERO OCC[N@@H+]1CCC[C@@H](c2cccc3ccnnc32)CC1 ZINC000616629366 348540188 /nfs/dbraw/zinc/54/01/88/348540188.db2.gz WXRPSTJWIBUEAG-CYBMUJFWSA-N 1 0 271.364 2.192 10 0 CEAERO CCOC(=O)c1cccc([C@H]2CCC[N@H+](CCO)CC2)c1 ZINC000616630032 348540351 /nfs/dbraw/zinc/54/03/51/348540351.db2.gz UGEBXWXTKZNKTI-AWEZNQCLSA-N 1 0 291.391 2.425 10 0 CEAERO [NH3+]CCN1CCC[C@H](c2cc3ccccc3nn2)CC1 ZINC000616628514 348540543 /nfs/dbraw/zinc/54/05/43/348540543.db2.gz MIFLYYLOZICNSS-ZDUSSCGKSA-N 1 0 270.380 2.158 10 0 CEAERO OCCc1cccc([C@H]2C[NH2+]CCN2Cc2ccccc2)c1 ZINC000616636357 348542497 /nfs/dbraw/zinc/54/24/97/348542497.db2.gz KBOZGZWOKVQNGN-LJQANCHMSA-N 1 0 296.414 2.368 10 0 CEAERO CCOC(=O)c1ccccc1[C@@H]1C[NH2+]CCN1C(C)C ZINC000616636454 348542543 /nfs/dbraw/zinc/54/25/43/348542543.db2.gz AJRNJFHYNQTMSA-HNNXBMFYSA-N 1 0 276.380 2.218 10 0 CEAERO CC[N@@H+]1CCCOC[C@H]1c1cccc2ccnnc21 ZINC000616648975 348546694 /nfs/dbraw/zinc/54/66/94/348546694.db2.gz ILUSGVAFFTZDSQ-AWEZNQCLSA-N 1 0 257.337 2.413 10 0 CEAERO CCS(=O)(=O)CCC[C@@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000087932333 179527106 /nfs/dbraw/zinc/52/71/06/179527106.db2.gz NCGDEKPCMCDMHQ-OLZOCXBDSA-N 1 0 261.431 2.357 10 0 CEAERO CC(C)C[C@H]1CCN(C(=O)C2CCCC2)C[C@@H]1[NH3+] ZINC000616571820 348524104 /nfs/dbraw/zinc/52/41/04/348524104.db2.gz SFTPVVLYZQBAMH-KGLIPLIRSA-N 1 0 252.402 2.399 10 0 CEAERO CCC[NH2+]Cc1cnc([C@H]2COc3ccccc3O2)nc1 ZINC000087860809 179504504 /nfs/dbraw/zinc/50/45/04/179504504.db2.gz PYVIIKJJCXIUQS-OAHLLOKOSA-N 1 0 285.347 2.489 10 0 CEAERO CC(C)[C@@H]([NH3+])Cc1nc([C@H]2COc3ccccc3O2)no1 ZINC000087861523 179504519 /nfs/dbraw/zinc/50/45/19/179504519.db2.gz XJSAPGGOUWXPRS-GXFFZTMASA-N 1 0 289.335 2.108 10 0 CEAERO CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CCC[NH2+]C1 ZINC000616576742 348525719 /nfs/dbraw/zinc/52/57/19/348525719.db2.gz XWJLYEPJNVAHKH-SNVBAGLBSA-N 1 0 289.404 2.465 10 0 CEAERO NNc1cc(N[C@H]2CCCc3sccc32)nc[nH+]1 ZINC000087869971 179505828 /nfs/dbraw/zinc/50/58/28/179505828.db2.gz SCFAPNLPTNADNJ-VIFPVBQESA-N 1 0 261.354 2.313 10 0 CEAERO [NH3+]CCN1CCO[C@@H](c2ccc(Cl)cc2)CC1 ZINC000616596506 348528947 /nfs/dbraw/zinc/52/89/47/348528947.db2.gz YBPFWNWEHIWWPU-CYBMUJFWSA-N 1 0 254.761 2.062 10 0 CEAERO Nc1ncccc1[C@@H]1COCC[N@H+](Cc2ccccc2)C1 ZINC000616597404 348528959 /nfs/dbraw/zinc/52/89/59/348528959.db2.gz IYTKXFWKSJWLFX-HNNXBMFYSA-N 1 0 283.375 2.280 10 0 CEAERO CCOC(=O)c1ccc([C@H]2COCCC[N@@H+]2C)cc1 ZINC000616599561 348529966 /nfs/dbraw/zinc/52/99/66/348529966.db2.gz LOSHHPPWFXTWIE-CQSZACIVSA-N 1 0 263.337 2.257 10 0 CEAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1CO ZINC000616602581 348530921 /nfs/dbraw/zinc/53/09/21/348530921.db2.gz LQUKOLDDNVNRBJ-CQSZACIVSA-N 1 0 292.379 2.060 10 0 CEAERO CSc1nc(OCCc2cccs2)cc(NN)[nH+]1 ZINC000087886242 179511056 /nfs/dbraw/zinc/51/10/56/179511056.db2.gz HDGVGMBMHDRNOK-UHFFFAOYSA-N 1 0 282.394 2.167 10 0 CEAERO CCOC(=O)c1cccc([C@@H]2CCCCN(CC[NH3+])C2)c1 ZINC000616605833 348532762 /nfs/dbraw/zinc/53/27/62/348532762.db2.gz WFZBZZBEFFXKSJ-MRXNPFEDSA-N 1 0 290.407 2.392 10 0 CEAERO [NH3+]CCN1CCCC[C@H]1c1cccc2ccnnc21 ZINC000616616090 348535229 /nfs/dbraw/zinc/53/52/29/348535229.db2.gz GAXXCLITAZUFPQ-AWEZNQCLSA-N 1 0 256.353 2.116 10 0 CEAERO [NH3+]CCN1CCC[C@H](c2ccc3ccncc3c2)C1 ZINC000616620752 348537293 /nfs/dbraw/zinc/53/72/93/348537293.db2.gz LDOMBLSEUIDALB-HNNXBMFYSA-N 1 0 255.365 2.373 10 0 CEAERO OCC[N@@H+]1CCC[C@@H](c2cnc3ccccc3c2)C1 ZINC000616621782 348537792 /nfs/dbraw/zinc/53/77/92/348537792.db2.gz YRYZJLJIQWFYFV-CQSZACIVSA-N 1 0 256.349 2.407 10 0 CEAERO Cc1cc(NN)[nH+]c(-c2cnc3ccsc3c2)n1 ZINC000088040869 179538664 /nfs/dbraw/zinc/53/86/64/179538664.db2.gz HGHGSXILGCDNNS-UHFFFAOYSA-N 1 0 257.322 2.347 10 0 CEAERO CCC[NH2+]C[C@H](CCS(C)(=O)=O)c1ccccc1 ZINC000088097873 179547074 /nfs/dbraw/zinc/54/70/74/179547074.db2.gz RDJSQVPHGMRDIT-AWEZNQCLSA-N 1 0 269.410 2.205 10 0 CEAERO c1cc(CCOC[C@H]2CCC[NH2+]C2)cc2c1OCC2 ZINC000088102925 179548994 /nfs/dbraw/zinc/54/89/94/179548994.db2.gz RUUZVIDHNGGDLX-AWEZNQCLSA-N 1 0 261.365 2.180 10 0 CEAERO [NH3+]C1(C(=O)N2CCC[C@H]2c2cccc(Cl)c2)CC1 ZINC000088130523 179553870 /nfs/dbraw/zinc/55/38/70/179553870.db2.gz NOEGXLBGJHHRNL-LBPRGKRZSA-N 1 0 264.756 2.495 10 0 CEAERO CC[NH2+][C@@H]1CCCc2c(OC[C@H](C)C(N)=O)cccc21 ZINC000088152102 179557977 /nfs/dbraw/zinc/55/79/77/179557977.db2.gz QYOSYYJLZKJFKD-SMDDNHRTSA-N 1 0 276.380 2.174 10 0 CEAERO CC(C)(C)[N@@H+]1CCOC[C@H](c2cccc(CCO)c2)C1 ZINC000616661241 348552910 /nfs/dbraw/zinc/55/29/10/348552910.db2.gz QNCNEZRIFAOVRK-MRXNPFEDSA-N 1 0 277.408 2.436 10 0 CEAERO NC(=O)c1cccc([C@H]2CCN(CC[NH3+])c3ccccc32)c1 ZINC000616675106 348557213 /nfs/dbraw/zinc/55/72/13/348557213.db2.gz MZBHVNUMZVLNPY-OAHLLOKOSA-N 1 0 295.386 2.086 10 0 CEAERO OCCc1ccccc1[C@@H]1c2ccccc2CC[N@H+]1CCO ZINC000616679364 348558103 /nfs/dbraw/zinc/55/81/03/348558103.db2.gz RTNOSDKLRLEPIB-IBGZPJMESA-N 1 0 297.398 2.161 10 0 CEAERO [NH3+]CCN1CCc2ccccc2[C@@H]1c1ccccc1CO ZINC000616691033 348562019 /nfs/dbraw/zinc/56/20/19/348562019.db2.gz BXSNUGFZGUVVIN-GOSISDBHSA-N 1 0 282.387 2.085 10 0 CEAERO CC(C)C[C@@H](C[NH3+])CC(=O)N(C)Cc1ccc(O)cc1 ZINC000088277438 179574323 /nfs/dbraw/zinc/57/43/23/179574323.db2.gz JXJFOFSOTSGHCC-CQSZACIVSA-N 1 0 278.396 2.362 10 0 CEAERO CC[C@@H]1CC[C@@](C[NH3+])(CCCS(=O)(=O)CC)C1 ZINC000087998434 179534783 /nfs/dbraw/zinc/53/47/83/179534783.db2.gz XGUPHVFQQAVYGS-OLZOCXBDSA-N 1 0 261.431 2.357 10 0 CEAERO CCOc1ccccc1OCCN1CC[NH2+][C@@H](C2CC2)C1 ZINC000088415462 179595396 /nfs/dbraw/zinc/59/53/96/179595396.db2.gz HSSWCMXHEMLEKK-OAHLLOKOSA-N 1 0 290.407 2.148 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)CN1CCC(C(F)(F)F)CC1 ZINC000088439759 179602738 /nfs/dbraw/zinc/60/27/38/179602738.db2.gz NBAQYXPFBSLLRU-GFCCVEGCSA-N 1 0 282.350 2.010 10 0 CEAERO [NH3+][C@H]1CCC[C@@H](C(=O)Nc2ncccc2Br)C1 ZINC000088447089 179604730 /nfs/dbraw/zinc/60/47/30/179604730.db2.gz NDWYWLCCLPGAMC-BDAKNGLRSA-N 1 0 298.184 2.300 10 0 CEAERO CCC[NH2+]C[C@@H](O)CN1CCCCc2ccccc21 ZINC000088333337 179578643 /nfs/dbraw/zinc/57/86/43/179578643.db2.gz NWRXGHWEYXVMKF-OAHLLOKOSA-N 1 0 262.397 2.190 10 0 CEAERO COCc1ccc([C@@H](C[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC000088567172 179625406 /nfs/dbraw/zinc/62/54/06/179625406.db2.gz ZLJXABZDMWYJCO-CYBMUJFWSA-N 1 0 280.368 2.358 10 0 CEAERO CCOCCN(CC)c1ccnc(C[NH2+]C(C)C)c1 ZINC000104201862 185929243 /nfs/dbraw/zinc/92/92/43/185929243.db2.gz GPYDJMYBLANQAS-UHFFFAOYSA-N 1 0 265.401 2.442 10 0 CEAERO CCC[NH2+]C[C@H](Cc1ncnn1C)Cc1ccccc1F ZINC000088583142 179630096 /nfs/dbraw/zinc/63/00/96/179630096.db2.gz OWSCHJNZLGPVLF-ZDUSSCGKSA-N 1 0 290.386 2.355 10 0 CEAERO Cn1ncnc1CN1C[C@H](C(C)(C)C)[NH2+]C[C@@H]1C(C)(C)C ZINC000088583866 179630113 /nfs/dbraw/zinc/63/01/13/179630113.db2.gz WOGLAKXZTCHOOQ-CHWSQXEVSA-N 1 0 293.459 2.050 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(Cc2ncnn2C)C(CC)(CC)C[NH2+]1 ZINC000088583963 179630774 /nfs/dbraw/zinc/63/07/74/179630774.db2.gz QSVAFTFMLXOBOD-KGLIPLIRSA-N 1 0 293.459 2.194 10 0 CEAERO CC[NH2+][C@@H](CCc1ncnn1CC(C)C)C1CC1 ZINC000088600949 179633995 /nfs/dbraw/zinc/63/39/95/179633995.db2.gz QZJVVLPRUUTGHI-ZDUSSCGKSA-N 1 0 250.390 2.255 10 0 CEAERO CC[NH2+][C@H](Cc1ncnn1CC(C)C)Cc1cccnc1 ZINC000088611696 179638665 /nfs/dbraw/zinc/63/86/65/179638665.db2.gz RXSZBSVUSGYKAU-HNNXBMFYSA-N 1 0 287.411 2.092 10 0 CEAERO CC(C)n1ncnc1C[C@@H]([NH3+])CSC1CCCC1 ZINC000088612876 179639852 /nfs/dbraw/zinc/63/98/52/179639852.db2.gz GMVQROLOKSKMNF-LLVKDONJSA-N 1 0 268.430 2.405 10 0 CEAERO CCCn1ncnc1CN1CC[NH2+][C@H](C2CCCCC2)C1 ZINC000088624821 179641863 /nfs/dbraw/zinc/64/18/63/179641863.db2.gz IVYRFLUFQQGPSB-HNNXBMFYSA-N 1 0 291.443 2.042 10 0 CEAERO C[NH2+][C@H]1CCOC[C@@H]1Oc1cc(Cl)ccc1C ZINC000088729553 179659466 /nfs/dbraw/zinc/65/94/66/179659466.db2.gz HUEQMJPWSMTZBQ-AAEUAGOBSA-N 1 0 255.745 2.404 10 0 CEAERO CC[NH2+][C@H]1CCCC[C@@H]1n1nc(CC)nc1CC ZINC000088740632 179662102 /nfs/dbraw/zinc/66/21/02/179662102.db2.gz YKGCXHMGSAUNLZ-RYUDHWBXSA-N 1 0 250.390 2.496 10 0 CEAERO CCCNS(=O)(=O)c1cc(C[NH2+]CCC)cc(C)c1C ZINC000088976147 179688066 /nfs/dbraw/zinc/68/80/66/179688066.db2.gz UPIDQPYXSHIWFO-UHFFFAOYSA-N 1 0 298.452 2.491 10 0 CEAERO CCC(C)(C)N(C)S(=O)(=O)Cc1ccc(C[NH2+]C)cc1 ZINC000089039342 179692577 /nfs/dbraw/zinc/69/25/77/179692577.db2.gz CWGPFXJMAHPEQA-UHFFFAOYSA-N 1 0 298.452 2.356 10 0 CEAERO CCC[NH2+]Cc1c(Cl)ccc(S(N)(=O)=O)c1Cl ZINC000088983800 179690099 /nfs/dbraw/zinc/69/00/99/179690099.db2.gz HCLHYKVVFIFBIG-UHFFFAOYSA-N 1 0 297.207 2.140 10 0 CEAERO CCc1ccc(C[NH3+])cc1S(=O)(=O)NCC(C)(C)C ZINC000088985776 179690482 /nfs/dbraw/zinc/69/04/82/179690482.db2.gz CCQZDTBRQRTXDJ-UHFFFAOYSA-N 1 0 284.425 2.032 10 0 CEAERO CC(C)C[C@H](C)N(C)S(=O)(=O)c1ccsc1C[NH3+] ZINC000089004930 179690807 /nfs/dbraw/zinc/69/08/07/179690807.db2.gz DPFODJHVKADZBA-JTQLQIEISA-N 1 0 290.454 2.262 10 0 CEAERO CCC[NH2+]CCCS(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000089006586 179690957 /nfs/dbraw/zinc/69/09/57/179690957.db2.gz WFKLIADOBTXQQR-UONOGXRCSA-N 1 0 290.473 2.216 10 0 CEAERO CCCOCCOCCCOc1cccc(C[NH3+])c1 ZINC000104230104 185938112 /nfs/dbraw/zinc/93/81/12/185938112.db2.gz OJKLZYWESFMVIO-UHFFFAOYSA-N 1 0 267.369 2.357 10 0 CEAERO COc1cccc(-c2nnc([C@@H](C)[NH3+])s2)c1OC ZINC000088810602 179676224 /nfs/dbraw/zinc/67/62/24/179676224.db2.gz VPVYSYGENXABRO-SSDOTTSWSA-N 1 0 265.338 2.242 10 0 CEAERO CCCn1c2ccncc2nc1[C@@]1(C)CCC[NH2+]C1 ZINC000088865353 179684918 /nfs/dbraw/zinc/68/49/18/179684918.db2.gz QQGGYWYQSUDNAQ-HNNXBMFYSA-N 1 0 258.369 2.482 10 0 CEAERO CC(C)C[C@@H]1C[NH2+][C@H](C)CN1CCOC(F)(F)F ZINC000089056899 179695171 /nfs/dbraw/zinc/69/51/71/179695171.db2.gz DZYHUDIJSFHTEZ-GHMZBOCLSA-N 1 0 268.323 2.231 10 0 CEAERO CN(c1ccc(Cl)cc1C(N)=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089112833 179707449 /nfs/dbraw/zinc/70/74/49/179707449.db2.gz ZDFQPGFKFYPRAN-SKDRFNHKSA-N 1 0 281.787 2.003 10 0 CEAERO CCOc1ccc([C@@H](C)NC(=O)[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000233821506 539682543 /nfs/dbraw/zinc/68/25/43/539682543.db2.gz XCJCSXIDXXTRCP-LALPHHSUSA-N 1 0 276.380 2.118 10 0 CEAERO CCCS(=O)(=O)c1ccccc1N[C@H]1CCC[C@@H]1C[NH3+] ZINC000089105814 179701486 /nfs/dbraw/zinc/70/14/86/179701486.db2.gz YSOZGPJCSSGLQE-OLZOCXBDSA-N 1 0 296.436 2.410 10 0 CEAERO CCCS(=O)(=O)c1ccccc1N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089105813 179701517 /nfs/dbraw/zinc/70/15/17/179701517.db2.gz YSOZGPJCSSGLQE-CHWSQXEVSA-N 1 0 296.436 2.410 10 0 CEAERO Cc1ccc2c(c1)C(=O)N([C@@H]1CCCC[C@H]1C[NH3+])C2=O ZINC000089109169 179704282 /nfs/dbraw/zinc/70/42/82/179704282.db2.gz GMJSNAKDLFJFHB-SMDDNHRTSA-N 1 0 272.348 2.109 10 0 CEAERO CN(C(=O)c1ccc2[nH]ccc2c1)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089110364 179705043 /nfs/dbraw/zinc/70/50/43/179705043.db2.gz JONKPXNSTDNYPI-DZGCQCFKSA-N 1 0 271.364 2.367 10 0 CEAERO CN(c1ncnc2ccccc21)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089112788 179706851 /nfs/dbraw/zinc/70/68/51/179706851.db2.gz MVDRJORUPDGTDR-BXUZGUMPSA-N 1 0 256.353 2.193 10 0 CEAERO CC(C)c1nnsc1C(=O)N(C)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089132058 179713510 /nfs/dbraw/zinc/71/35/10/179713510.db2.gz SAFHNGUTLNTHRV-MNOVXSKESA-N 1 0 296.440 2.251 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1cc2ccccc2[nH]1 ZINC000089091504 539688882 /nfs/dbraw/zinc/68/88/82/539688882.db2.gz APAHWGYBYVFGNC-WCQYABFASA-N 1 0 257.337 2.025 10 0 CEAERO CN(C(=O)c1ccc2c(c1)CCO2)[C@H]1CCCC[C@H]1C[NH3+] ZINC000089119617 179711790 /nfs/dbraw/zinc/71/17/90/179711790.db2.gz PSTGFSVSKRDZFM-GJZGRUSLSA-N 1 0 288.391 2.211 10 0 CEAERO COC(=O)c1cc(N[C@H]2CCC[C@H]2C[NH3+])c(F)cc1F ZINC000089149311 179725127 /nfs/dbraw/zinc/72/51/27/179725127.db2.gz XQOSXWHZACCUOZ-UFBFGSQYSA-N 1 0 284.306 2.291 10 0 CEAERO CC[NH2+][C@H](COC)Cc1nn(CC)c2ccccc12 ZINC000089177632 179742684 /nfs/dbraw/zinc/74/26/84/179742684.db2.gz VNOCEEOLCHWHGX-LBPRGKRZSA-N 1 0 261.369 2.223 10 0 CEAERO CCn1nc(C)cc1CO[C@@]1(C[NH3+])CC[C@H](C)C1 ZINC000089180801 179744930 /nfs/dbraw/zinc/74/49/30/179744930.db2.gz LNIJOCCBRWIJPZ-FZMZJTMJSA-N 1 0 251.374 2.246 10 0 CEAERO CCc1cc(CN2C[C@@H](CC[NH3+])c3ccccc32)n(C)n1 ZINC000089188450 179747333 /nfs/dbraw/zinc/74/73/33/179747333.db2.gz GNUTZOLBAGDKMY-CYBMUJFWSA-N 1 0 284.407 2.435 10 0 CEAERO CCn1nc(C)cc1COCC1([NH3+])CCCCC1 ZINC000089186786 179747382 /nfs/dbraw/zinc/74/73/82/179747382.db2.gz GOPVGHHITUKFOH-UHFFFAOYSA-N 1 0 251.374 2.390 10 0 CEAERO COc1ccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])c(C)c1 ZINC000089461858 539719259 /nfs/dbraw/zinc/71/92/59/539719259.db2.gz UCMXSIPJKPYFET-AAEUAGOBSA-N 1 0 262.353 2.317 10 0 CEAERO CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089450347 539715903 /nfs/dbraw/zinc/71/59/03/539715903.db2.gz ZMXBSQFKSGQRQF-LSDHHAIUSA-N 1 0 260.381 2.410 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCc1cccc(Cl)c1 ZINC000089450602 539715962 /nfs/dbraw/zinc/71/59/62/539715962.db2.gz PLKSGUUVJXNSMC-YPMHNXCESA-N 1 0 266.772 2.331 10 0 CEAERO CCc1nn(C)c(C[NH2+][C@H](C)[C@H]2CCCO2)c1Cl ZINC000089309724 179767689 /nfs/dbraw/zinc/76/76/89/179767689.db2.gz DZTKWIBNRANSPA-BXKDBHETSA-N 1 0 271.792 2.293 10 0 CEAERO CCn1nc(C)c(Cl)c1C[C@@H](C)C[NH2+]CCOC ZINC000089301226 179766737 /nfs/dbraw/zinc/76/67/37/179766737.db2.gz LORAFWZAZCTJIS-SNVBAGLBSA-N 1 0 273.808 2.279 10 0 CEAERO CN(Cc1ccccc1)C(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089386210 179777574 /nfs/dbraw/zinc/77/75/74/179777574.db2.gz NSXWHJPFFUYXTJ-LSDHHAIUSA-N 1 0 260.381 2.410 10 0 CEAERO COc1ccc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])c(C)c1 ZINC000089461855 179796659 /nfs/dbraw/zinc/79/66/59/179796659.db2.gz UCMXSIPJKPYFET-WCQYABFASA-N 1 0 262.353 2.317 10 0 CEAERO Cc1cc(F)ccc1NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089449700 179791540 /nfs/dbraw/zinc/79/15/40/179791540.db2.gz SLLFHQIHMQBHSQ-PWSUYJOCSA-N 1 0 250.317 2.448 10 0 CEAERO CN(CC1CCCCC1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089457327 179794644 /nfs/dbraw/zinc/79/46/44/179794644.db2.gz SIPYICRDCFZWFG-UONOGXRCSA-N 1 0 252.402 2.400 10 0 CEAERO CCOC(=O)c1ccccc1NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089459765 179795255 /nfs/dbraw/zinc/79/52/55/179795255.db2.gz SHXAFIMVIISIKC-NWDGAFQWSA-N 1 0 290.363 2.177 10 0 CEAERO Cc1occc1C(=O)NC[C@H]1CCCC[C@H]1C[NH3+] ZINC000089531609 179811406 /nfs/dbraw/zinc/81/14/06/179811406.db2.gz LCSUDHWHFINOSK-NWDGAFQWSA-N 1 0 250.342 2.083 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1COCc1cn2ccccc2n1 ZINC000089536204 179812314 /nfs/dbraw/zinc/81/23/14/179812314.db2.gz PESIWPGZVXCUJR-STQMWFEESA-N 1 0 259.353 2.226 10 0 CEAERO CC(C)Cn1ncnc1COC[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089535984 179812580 /nfs/dbraw/zinc/81/25/80/179812580.db2.gz HSMJSIBULXIKNA-ZIAGYGMSSA-N 1 0 280.416 2.216 10 0 CEAERO C[NH2+]C1CCC(O)(c2ccc(OC)c(OC)c2)CC1 ZINC000089539395 179814140 /nfs/dbraw/zinc/81/41/40/179814140.db2.gz WQLJXLRNWKQSJG-UHFFFAOYSA-N 1 0 265.353 2.053 10 0 CEAERO COCc1ccccc1C[NH2+]C[C@@H]1CCC[C@@H]1CO ZINC000089492807 179803080 /nfs/dbraw/zinc/80/30/80/179803080.db2.gz DZJNTBCVJFDXDH-DZGCQCFKSA-N 1 0 263.381 2.331 10 0 CEAERO CCOc1ccc(C(=O)NC[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089500620 179804825 /nfs/dbraw/zinc/80/48/25/179804825.db2.gz KOHUARYVHPWKAA-KBPBESRZSA-N 1 0 276.380 2.190 10 0 CEAERO Cc1ccccc1CCC(=O)NC[C@H]1CCC[C@@H]1C[NH3+] ZINC000089500643 179804829 /nfs/dbraw/zinc/80/48/29/179804829.db2.gz LRVMHIRKEXGGRT-HZPDHXFCSA-N 1 0 274.408 2.419 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1CNC(=O)c1cccc2cccnc21 ZINC000089500791 179805580 /nfs/dbraw/zinc/80/55/80/179805580.db2.gz YNJUJZLVNNEBFP-ZIAGYGMSSA-N 1 0 283.375 2.340 10 0 CEAERO COc1cc(C[NH2+]C[C@@H]2CCCC[C@@H]2CO)ccc1O ZINC000089504827 179806880 /nfs/dbraw/zinc/80/68/80/179806880.db2.gz PXNLUMCBZOZIQL-UONOGXRCSA-N 1 0 279.380 2.289 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@H]1CNC(=O)CCc1ccco1 ZINC000089530453 179810274 /nfs/dbraw/zinc/81/02/74/179810274.db2.gz KINVVODZQKSVJU-OLZOCXBDSA-N 1 0 264.369 2.094 10 0 CEAERO CCN(C(=O)/C=C/c1cccs1)[C@H]1CCC[NH2+]C1 ZINC000104330870 185971265 /nfs/dbraw/zinc/97/12/65/185971265.db2.gz BMVARMXUDKUESH-GUOLPTJISA-N 1 0 264.394 2.362 10 0 CEAERO CCN(C(=O)C[C@@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000089747617 179858928 /nfs/dbraw/zinc/85/89/28/179858928.db2.gz RAXFCUSAXDOEDJ-NSHDSACASA-N 1 0 250.317 2.178 10 0 CEAERO C[C@H]([NH3+])[C@H](Oc1ccccc1CO)c1ccncc1 ZINC000104342753 185976453 /nfs/dbraw/zinc/97/64/53/185976453.db2.gz NJJGTMIWQFIPKU-NHYWBVRUSA-N 1 0 258.321 2.041 10 0 CEAERO COc1ccc([C@@H]2C[NH2+]C[C@@H]2NC(=O)OC(C)(C)C)cc1 ZINC000068575211 362944908 /nfs/dbraw/zinc/94/49/08/362944908.db2.gz NTUSMEQMZHLYMM-KBPBESRZSA-N 1 0 292.379 2.275 10 0 CEAERO COc1ccc([C@H]([NH3+])[C@@H](C)SCCCO)cc1 ZINC000090120111 179916771 /nfs/dbraw/zinc/91/67/71/179916771.db2.gz ULTCHRDJOANWFI-ZWNOBZJWSA-N 1 0 255.383 2.199 10 0 CEAERO C[C@](O)(CO)C[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000090284938 179948867 /nfs/dbraw/zinc/94/88/67/179948867.db2.gz KBKKOYXLIBUREM-UONOGXRCSA-N 1 0 269.410 2.312 10 0 CEAERO C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@](C)(O)CO ZINC000090287060 179949627 /nfs/dbraw/zinc/94/96/27/179949627.db2.gz IROFKFQWLZCPQH-CZUORRHYSA-N 1 0 265.397 2.076 10 0 CEAERO CCN(C(=O)c1ccc(Cl)c(Cl)c1)C1C[NH2+]C1 ZINC000090291240 179951566 /nfs/dbraw/zinc/95/15/66/179951566.db2.gz UDKGHSRBDCLWBR-UHFFFAOYSA-N 1 0 273.163 2.427 10 0 CEAERO CCCN(C(=O)Cc1c(F)cccc1Cl)C1C[NH2+]C1 ZINC000090293133 179952025 /nfs/dbraw/zinc/95/20/25/179952025.db2.gz BDBJWDSVJKUKGJ-UHFFFAOYSA-N 1 0 284.762 2.232 10 0 CEAERO COC(C[C@@](C)(C[NH3+])N(C)c1ccc(C)cc1)OC ZINC000090265967 179942186 /nfs/dbraw/zinc/94/21/86/179942186.db2.gz FZFVZGHTDWMDDU-HNNXBMFYSA-N 1 0 266.385 2.158 10 0 CEAERO CC(C)C[C@](C)(O)C[NH2+]Cc1cnn2ccccc12 ZINC000090269008 179943418 /nfs/dbraw/zinc/94/34/18/179943418.db2.gz CMDZSMDOBIXFQU-HNNXBMFYSA-N 1 0 261.369 2.221 10 0 CEAERO C[C@@H]([NH3+])CSCC(=O)Nc1ccc(Cl)cc1F ZINC000090344015 179969543 /nfs/dbraw/zinc/96/95/43/179969543.db2.gz WFUYHHIKQDLXQH-SSDOTTSWSA-N 1 0 276.764 2.498 10 0 CEAERO C[C@H](CC[NH3+])SCC(=O)NC[C@@H](C)c1ccccc1 ZINC000090354719 179974116 /nfs/dbraw/zinc/97/41/16/179974116.db2.gz RQNJZQCWOOZSHZ-CHWSQXEVSA-N 1 0 280.437 2.377 10 0 CEAERO CC(C)n1c2ccc(F)cc2nc1[C@H]1COC[C@H]1[NH3+] ZINC000090363702 179977911 /nfs/dbraw/zinc/97/79/11/179977911.db2.gz DIAXLXWUPPCDDP-WDEREUQCSA-N 1 0 263.316 2.197 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1Nc1c(F)c(F)c(F)c(F)c1F ZINC000090313655 179956442 /nfs/dbraw/zinc/95/64/42/179956442.db2.gz HNHITJRUKDGCTR-NWWTUURKSA-N 1 0 296.239 2.299 10 0 CEAERO CC[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc2ccccc2c1 ZINC000090489145 179992420 /nfs/dbraw/zinc/99/24/20/179992420.db2.gz BSTSPHWUCUZMPI-CVEARBPZSA-N 1 0 284.359 2.403 10 0 CEAERO CNC(=O)c1ccc(C=C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000090505254 179994647 /nfs/dbraw/zinc/99/46/47/179994647.db2.gz GEMUZDXWIWZXDH-GASCZTMLSA-N 1 0 256.349 2.344 10 0 CEAERO C[C@H]1C[C@H]([NH2+]CCC(=O)NC2CC2)CC(C)(C)C1 ZINC000090714665 180028505 /nfs/dbraw/zinc/02/85/05/180028505.db2.gz QXTXOMDNZQFTQE-AAEUAGOBSA-N 1 0 252.402 2.460 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc(C)c(F)c1 ZINC000090539059 180000510 /nfs/dbraw/zinc/00/05/10/180000510.db2.gz UYMVHYMPISZHMM-OCCSQVGLSA-N 1 0 280.343 2.087 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)N(CC)c1cccc(C)c1 ZINC000090542711 180000818 /nfs/dbraw/zinc/00/08/18/180000818.db2.gz OJMPLLZPOLGDLN-HZPDHXFCSA-N 1 0 290.407 2.363 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)NC(CC)(CC)CC ZINC000090546266 180001048 /nfs/dbraw/zinc/00/10/48/180001048.db2.gz SQUALEMWBWUANL-OLZOCXBDSA-N 1 0 270.417 2.086 10 0 CEAERO CCCCCN(C(=O)[C@H]1COC[C@H]1[NH2+]CCC)C(C)C ZINC000090541905 180001107 /nfs/dbraw/zinc/00/11/07/180001107.db2.gz RAFFDKUZAUFCML-LSDHHAIUSA-N 1 0 284.444 2.428 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N(CC)c1cccc(C)c1 ZINC000090542707 180001130 /nfs/dbraw/zinc/00/11/30/180001130.db2.gz OJMPLLZPOLGDLN-JKSUJKDBSA-N 1 0 290.407 2.363 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1CN(C)Cc1ccc(F)cc1 ZINC000090566300 180005300 /nfs/dbraw/zinc/00/53/00/180005300.db2.gz GVVSLBLAMRGUOL-GOEBONIOSA-N 1 0 280.387 2.272 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1CN(C)Cc1cccc(F)c1 ZINC000090566084 180005386 /nfs/dbraw/zinc/00/53/86/180005386.db2.gz CLLDZZCIXRMDSN-GOEBONIOSA-N 1 0 280.387 2.272 10 0 CEAERO CCn1c2c(cccc2Cl)nc1[C@@]1(C)COC[C@H]1[NH3+] ZINC000090571811 180008017 /nfs/dbraw/zinc/00/80/17/180008017.db2.gz ZACLHVZYAALOEP-RISCZKNCSA-N 1 0 279.771 2.325 10 0 CEAERO C[NH2+][C@@H]1CCN(CCOC2CCCCC2)[C@H](C)C1 ZINC000104437957 186002109 /nfs/dbraw/zinc/00/21/09/186002109.db2.gz KBQPWKWTXDDUIZ-ZIAGYGMSSA-N 1 0 254.418 2.408 10 0 CEAERO C[NH2+][C@H]1CCN(CCOC2CCCCC2)[C@@H](C)C1 ZINC000104437968 186002205 /nfs/dbraw/zinc/00/22/05/186002205.db2.gz KBQPWKWTXDDUIZ-KBPBESRZSA-N 1 0 254.418 2.408 10 0 CEAERO C[C@H](OCCC(=O)Nc1ccccc1C[NH3+])C(F)(F)F ZINC000090671960 180020956 /nfs/dbraw/zinc/02/09/56/180020956.db2.gz SYONMXGWNSVDCI-VIFPVBQESA-N 1 0 290.285 2.441 10 0 CEAERO C[C@H](OCCCC[C@](C)([NH2+]C1CC1)C(N)=O)C(F)(F)F ZINC000090674100 180021717 /nfs/dbraw/zinc/02/17/17/180021717.db2.gz CHFIAUKJYKYALV-CABZTGNLSA-N 1 0 296.333 2.120 10 0 CEAERO C[C@H](OCCCC[C@@](C)([NH2+]C1CC1)C(N)=O)C(F)(F)F ZINC000090674102 180021824 /nfs/dbraw/zinc/02/18/24/180021824.db2.gz CHFIAUKJYKYALV-JOYOIKCWSA-N 1 0 296.333 2.120 10 0 CEAERO C[C@H](C[C@@](C)(CO)[NH2+]C1CC1)O[C@@H](C)C(F)(F)F ZINC000090676051 180022648 /nfs/dbraw/zinc/02/26/48/180022648.db2.gz LHBOJVIGOAKATB-YWVKMMECSA-N 1 0 269.307 2.235 10 0 CEAERO Cc1cnc(N2CC[C@@H]([NH+]3CCCCC3)C2)c(N)c1 ZINC000090691280 180024840 /nfs/dbraw/zinc/02/48/40/180024840.db2.gz SDVWSKZMPBRJKD-CYBMUJFWSA-N 1 0 260.385 2.037 10 0 CEAERO C[NH+](C)C[C@@H]1CSCCCN1C(=O)C1CCCC1 ZINC000090699764 180028020 /nfs/dbraw/zinc/02/80/20/180028020.db2.gz QVSFVRFXVATAIX-CYBMUJFWSA-N 1 0 270.442 2.072 10 0 CEAERO CC(C)C(=O)N1CCCSC[C@H]1C[NH+]1CCCC1 ZINC000090700521 180028072 /nfs/dbraw/zinc/02/80/72/180028072.db2.gz RKSGULODCOWRRD-CYBMUJFWSA-N 1 0 270.442 2.072 10 0 CEAERO O=c1ccc(Br)cn1CCC[NH+]1CCCC1 ZINC000090764637 180037255 /nfs/dbraw/zinc/03/72/55/180037255.db2.gz RMUQDFBYYHJRJT-UHFFFAOYSA-N 1 0 285.185 2.097 10 0 CEAERO COc1cc(N[C@@H](C)c2ccc(C[NH3+])cc2)ncn1 ZINC000090783556 180039366 /nfs/dbraw/zinc/03/93/66/180039366.db2.gz XJZNQLZNTRENML-JTQLQIEISA-N 1 0 258.325 2.117 10 0 CEAERO CN(c1ncncc1Br)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000090781826 180039369 /nfs/dbraw/zinc/03/93/69/180039369.db2.gz KMQJHOBQNNVACJ-MWLCHTKSSA-N 1 0 299.216 2.193 10 0 CEAERO CCCOc1cc(O[C@H]2CCCC[C@@H]2C[NH3+])ncn1 ZINC000090785419 180039952 /nfs/dbraw/zinc/03/99/52/180039952.db2.gz IPTKSSLHUVAMNZ-NEPJUHHUSA-N 1 0 265.357 2.162 10 0 CEAERO CC(C)Oc1cc(N[C@@H]2c3ccccc3C[C@H]2[NH3+])ncn1 ZINC000090786641 180040671 /nfs/dbraw/zinc/04/06/71/180040671.db2.gz DNVNOSJQHPNSCH-CZUORRHYSA-N 1 0 284.363 2.300 10 0 CEAERO CCC([NH3+])(CC)COc1cc(OC(C)C)ncn1 ZINC000090786340 180040750 /nfs/dbraw/zinc/04/07/50/180040750.db2.gz IJHLDFBFOXDSTC-UHFFFAOYSA-N 1 0 253.346 2.160 10 0 CEAERO COc1cc(N(C)c2cccc(C[NH3+])c2)nc(C)n1 ZINC000090786960 180040775 /nfs/dbraw/zinc/04/07/75/180040775.db2.gz YZABZSZOTBIEBM-UHFFFAOYSA-N 1 0 258.325 2.020 10 0 CEAERO CC(C)Oc1cc(NC[C@H]2CCCC[C@H]2C[NH3+])ncn1 ZINC000090786675 180040844 /nfs/dbraw/zinc/04/08/44/180040844.db2.gz JLDRPPYDPGNHDD-QWHCGFSZSA-N 1 0 278.400 2.441 10 0 CEAERO COc1cc(N2CCC[C@@H]2C[NH2+]CC(C)C)nc(C)n1 ZINC000090787296 180040890 /nfs/dbraw/zinc/04/08/90/180040890.db2.gz UICFAUMFBYHYIA-CYBMUJFWSA-N 1 0 278.400 2.008 10 0 CEAERO CC(C)CCS(=O)(=O)N(C)C1(C[NH3+])CCC(C)CC1 ZINC000104445419 186005072 /nfs/dbraw/zinc/00/50/72/186005072.db2.gz KUDKAVJRZCIDKJ-UHFFFAOYSA-N 1 0 290.473 2.202 10 0 CEAERO CC[C@@H]([NH3+])Cc1c(C)nn(C)c1SCCCOC ZINC000104445532 186005110 /nfs/dbraw/zinc/00/51/10/186005110.db2.gz ZXMRJGJYEMCMBD-LLVKDONJSA-N 1 0 271.430 2.137 10 0 CEAERO CCOc1ncnc(N[C@H](C[NH3+])c2ccccc2)c1C ZINC000090790140 180042286 /nfs/dbraw/zinc/04/22/86/180042286.db2.gz QAUIYMXDJBPBEL-CYBMUJFWSA-N 1 0 272.352 2.296 10 0 CEAERO CCOc1ncnc(NC[C@H]2CCCC[C@H]2C[NH3+])c1C ZINC000090790179 180042304 /nfs/dbraw/zinc/04/23/04/180042304.db2.gz XTHKAXDBYLPBEL-QWHCGFSZSA-N 1 0 278.400 2.361 10 0 CEAERO CCC[NH+]1CCC(Nc2cc(OC)nc(C)n2)CC1 ZINC000090792198 180042715 /nfs/dbraw/zinc/04/27/15/180042715.db2.gz LXZCJGQIPJGRBE-UHFFFAOYSA-N 1 0 264.373 2.080 10 0 CEAERO C[NH2+][C@@H]1C[C@H](OC[C@@H]2CCCO2)C12CCCCC2 ZINC000090856689 180047283 /nfs/dbraw/zinc/04/72/83/180047283.db2.gz JEHOGUMVRLSFTB-MJBXVCDLSA-N 1 0 253.386 2.493 10 0 CEAERO CC[C@@H](Sc1cccc(C[NH2+]C2CC2)c1)C(N)=O ZINC000090872123 180050109 /nfs/dbraw/zinc/05/01/09/180050109.db2.gz ROVKCBWHCXZOIY-CYBMUJFWSA-N 1 0 264.394 2.295 10 0 CEAERO COCC[NH2+]Cc1cccc(SCCOCCOC)c1 ZINC000090873087 180050189 /nfs/dbraw/zinc/05/01/89/180050189.db2.gz PKBDMQZSKLVUMY-UHFFFAOYSA-N 1 0 299.436 2.178 10 0 CEAERO CC[C@@H]1CN(C[C@@H]2Cc3ccccc3O2)[C@H](C2CC2)C[NH2+]1 ZINC000090878312 180052147 /nfs/dbraw/zinc/05/21/47/180052147.db2.gz WGDZMKKVHJQIOH-IKGGRYGDSA-N 1 0 286.419 2.453 10 0 CEAERO CC[C@@](C)(C[NH3+])OC[C@H]1Cc2cc(F)ccc2O1 ZINC000090878962 180052807 /nfs/dbraw/zinc/05/28/07/180052807.db2.gz BPODDDLNYQIUEA-OCCSQVGLSA-N 1 0 253.317 2.273 10 0 CEAERO FC(F)(F)COCCC[NH2+]CCOCC(F)(F)F ZINC000104450040 186007183 /nfs/dbraw/zinc/00/71/83/186007183.db2.gz LTKMYWRNJRUNOW-UHFFFAOYSA-N 1 0 283.212 2.124 10 0 CEAERO Fc1ccc2c(c1)C[C@H](Cn1ccnc1C[NH2+]C1CC1)O2 ZINC000090894383 180055796 /nfs/dbraw/zinc/05/57/96/180055796.db2.gz WUZBRWABPQGKFP-CQSZACIVSA-N 1 0 287.338 2.278 10 0 CEAERO CCOC(=O)CC[N@H+](C)C[C@H]1Cc2cc(F)ccc2O1 ZINC000090894736 180055869 /nfs/dbraw/zinc/05/58/69/180055869.db2.gz YABKIVGLLJUTAW-CYBMUJFWSA-N 1 0 281.327 2.014 10 0 CEAERO Cc1ccc2c(c1)C[C@H](CN(C)CC[NH2+]C(C)C)O2 ZINC000090898945 180058399 /nfs/dbraw/zinc/05/83/99/180058399.db2.gz SFFSQHVOZGOCFI-OAHLLOKOSA-N 1 0 262.397 2.228 10 0 CEAERO CCC[NH2+]CCN(C)C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090898969 180058459 /nfs/dbraw/zinc/05/84/59/180058459.db2.gz IUMPWJLPHWIUJR-HNNXBMFYSA-N 1 0 262.397 2.230 10 0 CEAERO Cc1ccc([C@@H](C[NH3+])N2C[C@H]3CC[C@@H](C2)O3)cc1C ZINC000090905676 180059879 /nfs/dbraw/zinc/05/98/79/180059879.db2.gz PXXOGVYOFBQJRH-OWCLPIDISA-N 1 0 260.381 2.166 10 0 CEAERO C[C@@H](CCO)C[NH2+]C[C@H]1Cc2cc(Cl)ccc2O1 ZINC000090905293 180060323 /nfs/dbraw/zinc/06/03/23/180060323.db2.gz WPIGWZAUJQBEQB-GXFFZTMASA-N 1 0 269.772 2.252 10 0 CEAERO CC[NH2+]Cc1ccnn1C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090901933 180060344 /nfs/dbraw/zinc/06/03/44/180060344.db2.gz QSLWZAQZHIPYJB-HNNXBMFYSA-N 1 0 271.364 2.305 10 0 CEAERO Cc1ccc([C@@H]([NH3+])CN2C[C@H]3CC[C@@H](C2)O3)cc1C ZINC000090905995 180060988 /nfs/dbraw/zinc/06/09/88/180060988.db2.gz IDIFZQFFPWPGEL-XHSDSOJGSA-N 1 0 260.381 2.166 10 0 CEAERO [NH3+]Cc1oc2ccccc2c1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000090907820 180062080 /nfs/dbraw/zinc/06/20/80/180062080.db2.gz BPVKVQANNYQNAA-TXEJJXNPSA-N 1 0 272.348 2.255 10 0 CEAERO C[C@H](C[NH3+])[C@@H](O)c1ccsc1Br ZINC000669377167 539758592 /nfs/dbraw/zinc/75/85/92/539758592.db2.gz IFZCBDZKWFXXCL-IYSWYEEDSA-N 1 0 250.161 2.139 10 0 CEAERO C[C@@H]1CCCCC[C@H]1NC(=O)c1csc(CC[NH3+])n1 ZINC000090957664 180074506 /nfs/dbraw/zinc/07/45/06/180074506.db2.gz IZQGLEIWNFJTSU-GHMZBOCLSA-N 1 0 281.425 2.343 10 0 CEAERO CC1CCC(CO)([NH2+]Cc2sccc2N)CC1 ZINC000090960613 180076185 /nfs/dbraw/zinc/07/61/85/180076185.db2.gz CFAYOTOZDDNQDI-UHFFFAOYSA-N 1 0 254.399 2.361 10 0 CEAERO Cc1nn(C[C@H]2Cc3ccccc32)c(C)c1CC[NH3+] ZINC000090981653 180078675 /nfs/dbraw/zinc/07/86/75/180078675.db2.gz GBQJRVHAZSHUIN-CQSZACIVSA-N 1 0 255.365 2.341 10 0 CEAERO CC[C@H](C)NC(=O)CC[NH2+]C[C@H]1Cc2ccccc21 ZINC000090976411 180078960 /nfs/dbraw/zinc/07/89/60/180078960.db2.gz DKAHSPKUVRUPBF-GXTWGEPZSA-N 1 0 260.381 2.221 10 0 CEAERO CCN(C(=O)[C@@H]1Cc2ccccc21)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000090985635 180080727 /nfs/dbraw/zinc/08/07/27/180080727.db2.gz OSEDMMPLABTZPY-FVQBIDKESA-N 1 0 272.392 2.302 10 0 CEAERO CC[NH2+]CCc1nnc([C@H]2Cc3ccccc32)s1 ZINC000090991986 180081151 /nfs/dbraw/zinc/08/11/51/180081151.db2.gz ZNOAATAJUHOWCU-LBPRGKRZSA-N 1 0 259.378 2.378 10 0 CEAERO C[C@H]([NH2+]C[C@@H]1Cc2ccccc21)C(=O)NC(C)(C)C ZINC000090992341 180081388 /nfs/dbraw/zinc/08/13/88/180081388.db2.gz LQIRQALUXJLDOI-AAEUAGOBSA-N 1 0 260.381 2.219 10 0 CEAERO CC(C)C[NH2+]Cc1cn(CCC(N)=O)c2ccccc12 ZINC000090995627 180082625 /nfs/dbraw/zinc/08/26/25/180082625.db2.gz WTCVXACWOWMFPU-UHFFFAOYSA-N 1 0 273.380 2.262 10 0 CEAERO COC(=O)CCn1cc(C[NH2+]C2CC2)c2ccccc21 ZINC000090995556 180082755 /nfs/dbraw/zinc/08/27/55/180082755.db2.gz CVFYSSCQOZHISS-UHFFFAOYSA-N 1 0 272.348 2.456 10 0 CEAERO C[NH2+]Cc1cn(CC(=O)N(C)C(C)C)c2ccccc12 ZINC000090995334 180082976 /nfs/dbraw/zinc/08/29/76/180082976.db2.gz LQTGHBWXJFCPBO-UHFFFAOYSA-N 1 0 273.380 2.228 10 0 CEAERO CC(C)[NH2+]Cc1cccn1CC(=O)NCc1ccccc1 ZINC000091001145 180083400 /nfs/dbraw/zinc/08/34/00/180083400.db2.gz MLQMSEOYVDTORR-UHFFFAOYSA-N 1 0 285.391 2.303 10 0 CEAERO Cc1nn(CCCC(=O)N(C)C)c(C)c1C[NH2+]CC(C)C ZINC000091002336 180083927 /nfs/dbraw/zinc/08/39/27/180083927.db2.gz ZBPNDUHSVKQTGC-UHFFFAOYSA-N 1 0 294.443 2.114 10 0 CEAERO CCn1nc(C)c(Cl)c1Cn1ccc(CC[NH3+])c1 ZINC000091004855 180083943 /nfs/dbraw/zinc/08/39/43/180083943.db2.gz RMRQFNWHQGYYAE-UHFFFAOYSA-N 1 0 266.776 2.216 10 0 CEAERO CC[C@H]([NH3+])Cc1cccn1Cc1cccc(OC)n1 ZINC000091005815 180084531 /nfs/dbraw/zinc/08/45/31/180084531.db2.gz IICUIHWFLJEKOT-LBPRGKRZSA-N 1 0 259.353 2.220 10 0 CEAERO COc1ccc(OCCn2cccc2C[C@@H](C)[NH3+])cc1 ZINC000091005264 180084577 /nfs/dbraw/zinc/08/45/77/180084577.db2.gz WKYLXHIMAKOBGS-CYBMUJFWSA-N 1 0 274.364 2.465 10 0 CEAERO CC[C@H]([NH3+])Cc1cccn1Cc1cn2ccccc2n1 ZINC000091005599 180084594 /nfs/dbraw/zinc/08/45/94/180084594.db2.gz WBUZYLYYRPZTOV-ZDUSSCGKSA-N 1 0 268.364 2.464 10 0 CEAERO C[C@@H]([NH3+])Cc1ccn(Cc2cn3ccccc3n2)c1 ZINC000091005892 180084638 /nfs/dbraw/zinc/08/46/38/180084638.db2.gz KCZKVORHAKIYKO-GFCCVEGCSA-N 1 0 254.337 2.074 10 0 CEAERO CCc1nn(C)c(Cn2ccc(C[C@@H](C)[NH3+])c2)c1Cl ZINC000091005919 180084692 /nfs/dbraw/zinc/08/46/92/180084692.db2.gz MXFMPMNZMBFUTR-SNVBAGLBSA-N 1 0 280.803 2.375 10 0 CEAERO CCn1ccc(C[NH2+]CCOCC(F)(F)F)c1 ZINC000091015817 180086422 /nfs/dbraw/zinc/08/64/22/180086422.db2.gz AFPAOKOEAALXHK-UHFFFAOYSA-N 1 0 250.264 2.177 10 0 CEAERO Cc1noc(C)c1Cn1cc(C[NH3+])c2cccnc21 ZINC000091019098 180086961 /nfs/dbraw/zinc/08/69/61/180086961.db2.gz RCOIQMKAFOQKTA-UHFFFAOYSA-N 1 0 256.309 2.148 10 0 CEAERO C[C@H]1CCC[C@H](C[NH3+])N1Cc1c[nH]c2ncccc12 ZINC000091019718 180088050 /nfs/dbraw/zinc/08/80/50/180088050.db2.gz SFOJJYRPMYJOGE-WCQYABFASA-N 1 0 258.369 2.265 10 0 CEAERO [NH3+]CCc1nc(C(=O)Nc2cc(F)cc(F)c2)cs1 ZINC000090946067 180069649 /nfs/dbraw/zinc/06/96/49/180069649.db2.gz BKOXSPLINLNPLQ-UHFFFAOYSA-N 1 0 283.303 2.175 10 0 CEAERO [NH3+]CC1(C2(O)CC(OCc3ccccc3)C2)CCC1 ZINC000669377816 539760922 /nfs/dbraw/zinc/76/09/22/539760922.db2.gz XMLHIGLTZCHTMK-UHFFFAOYSA-N 1 0 261.365 2.226 10 0 CEAERO CC(C)n1c(C[C@@H]2CSCC[NH2+]2)nc2cnccc21 ZINC000091128704 180100480 /nfs/dbraw/zinc/10/04/80/180100480.db2.gz NASXUEGIODOGBZ-LLVKDONJSA-N 1 0 276.409 2.260 10 0 CEAERO C[C@H](NC(=O)C[C@@H]1CSCC[NH2+]1)c1cccs1 ZINC000091134405 180102867 /nfs/dbraw/zinc/10/28/67/180102867.db2.gz HEEKLVLWTYQTEV-VHSXEESVSA-N 1 0 270.423 2.020 10 0 CEAERO O=C(C[C@@H]1CSCC[NH2+]1)Nc1ccc(F)c(F)c1F ZINC000091133947 180103104 /nfs/dbraw/zinc/10/31/04/180103104.db2.gz NAWOCXPOJADTEN-SSDOTTSWSA-N 1 0 290.310 2.138 10 0 CEAERO O=C(C[C@@H]1CSCC[NH2+]1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000091134557 180103542 /nfs/dbraw/zinc/10/35/42/180103542.db2.gz AHZBVHSLVFLGEJ-BFHYXJOUSA-N 1 0 282.453 2.120 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@@]2(C1)SCC[C@H]2C[NH3+] ZINC000091303530 180130396 /nfs/dbraw/zinc/13/03/96/180130396.db2.gz HDYLKQBEKCDYQJ-GWCFXTLKSA-N 1 0 272.414 2.078 10 0 CEAERO CCCNC(=O)C[C@H](CN)[N@H+](C)C1CCC(CC)CC1 ZINC000091317309 180133434 /nfs/dbraw/zinc/13/34/34/180133434.db2.gz VAVVBEQHGKBSDY-YMAMQOFZSA-N 1 0 283.460 2.131 10 0 CEAERO CCNC(=O)C[C@H](C[NH3+])N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000091316428 180133580 /nfs/dbraw/zinc/13/35/80/180133580.db2.gz YOJCDOXQDUDBKE-SMDDNHRTSA-N 1 0 297.830 2.186 10 0 CEAERO CC[N@H+]([C@@H](CN)CC(=O)NC(C)(C)C)C1CCCCC1 ZINC000091320725 180133994 /nfs/dbraw/zinc/13/39/94/180133994.db2.gz XMLYWMXIMZPUBA-CQSZACIVSA-N 1 0 283.460 2.273 10 0 CEAERO CCN(CC)C(=O)C[C@@H](CN)[NH+](CC(C)C)CC(C)C ZINC000091322714 180134530 /nfs/dbraw/zinc/13/45/30/180134530.db2.gz IKEKKTKMLDUOKY-HNNXBMFYSA-N 1 0 285.476 2.186 10 0 CEAERO CCCCC[N@H+](C(C)C)[C@H](CN)CC(=O)N1CCCC1 ZINC000091323448 180134683 /nfs/dbraw/zinc/13/46/83/180134683.db2.gz VJBPQYMYXACQTM-HNNXBMFYSA-N 1 0 283.460 2.227 10 0 CEAERO CC(C)C[NH+](CC(C)C)[C@H](CN)CC(=O)N1CCCCC1 ZINC000091325223 180135137 /nfs/dbraw/zinc/13/51/37/180135137.db2.gz JSGLMBHRSLLHLY-INIZCTEOSA-N 1 0 297.487 2.330 10 0 CEAERO CC[NH2+]Cc1cnn(-c2ccccn2)c1C(F)(F)F ZINC000091335607 180136209 /nfs/dbraw/zinc/13/62/09/180136209.db2.gz HBEBPMCDSWYKAM-UHFFFAOYSA-N 1 0 270.258 2.396 10 0 CEAERO O=C([C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1)N1CCCCC1 ZINC000091359079 180140516 /nfs/dbraw/zinc/14/05/16/180140516.db2.gz JZBKTFSMDIQVKE-RDBSUJKOSA-N 1 0 250.386 2.310 10 0 CEAERO Cc1ncsc1CNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091361238 180141122 /nfs/dbraw/zinc/14/11/22/180141122.db2.gz PHGRCYZINVDRQG-AVGNSLFASA-N 1 0 293.436 2.379 10 0 CEAERO CN(CC1CCOCC1)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091361338 180141616 /nfs/dbraw/zinc/14/16/16/180141616.db2.gz HLSOBSIIYPCLFT-JYJNAYRXSA-N 1 0 294.439 2.182 10 0 CEAERO COCC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000091361420 180141868 /nfs/dbraw/zinc/14/18/68/180141868.db2.gz MRMJVBOOKUZNAI-PMPSAXMXSA-N 1 0 294.439 2.182 10 0 CEAERO COc1ccc([C@H](C[NH3+])S[C@@H](C)CCO)cc1 ZINC000091262383 180116406 /nfs/dbraw/zinc/11/64/06/180116406.db2.gz ORJLWVWZOHHDLM-GWCFXTLKSA-N 1 0 255.383 2.199 10 0 CEAERO CC(C)n1cncc1[C@@H](O)[C@@H]1[NH2+]Cc2ccccc21 ZINC000091273628 180117940 /nfs/dbraw/zinc/11/79/40/180117940.db2.gz MIWOIMMUMNCNIQ-HUUCEWRRSA-N 1 0 257.337 2.342 10 0 CEAERO [NH3+]C[C@@H](c1cncn1C1CC1)N1CCc2ccccc2C1 ZINC000091276190 180119106 /nfs/dbraw/zinc/11/91/06/180119106.db2.gz WXIWXZPWKPFMSQ-INIZCTEOSA-N 1 0 282.391 2.276 10 0 CEAERO C[NH2+][C@H]1CCCc2nc(-c3cncn3C3CC3)ncc21 ZINC000091274877 180119175 /nfs/dbraw/zinc/11/91/75/180119175.db2.gz YLNQXMIRWXMRJI-LBPRGKRZSA-N 1 0 269.352 2.272 10 0 CEAERO CCC(C)(C)N(C)[C@@H](C[NH3+])c1cncn1C1CC1 ZINC000091276585 180119630 /nfs/dbraw/zinc/11/96/30/180119630.db2.gz LZNXGJKCABNWKH-LBPRGKRZSA-N 1 0 250.390 2.338 10 0 CEAERO O[C@H](c1cncn1C1CC1)[C@H]1[NH2+]CCc2ccccc21 ZINC000091277384 180120096 /nfs/dbraw/zinc/12/00/96/180120096.db2.gz QCUBQQYUUYPSST-JKSUJKDBSA-N 1 0 269.348 2.138 10 0 CEAERO Cn1cncc1COc1ccc2c(c1)CCC[C@@H]2[NH3+] ZINC000091278393 180120806 /nfs/dbraw/zinc/12/08/06/180120806.db2.gz DMZZNFLFHWFODV-HNNXBMFYSA-N 1 0 257.337 2.335 10 0 CEAERO CC[C@@H](NC(=O)C[C@H]1CSCC[NH2+]1)c1cccs1 ZINC000091290505 180121889 /nfs/dbraw/zinc/12/18/89/180121889.db2.gz UZJSHLVYMHWQEM-WDEREUQCSA-N 1 0 284.450 2.411 10 0 CEAERO CC[C@@H](NC(=O)C[C@@H]1CSCC[NH2+]1)c1cccs1 ZINC000091290503 180121984 /nfs/dbraw/zinc/12/19/84/180121984.db2.gz UZJSHLVYMHWQEM-GHMZBOCLSA-N 1 0 284.450 2.411 10 0 CEAERO OC1CC([NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC000091431644 180153584 /nfs/dbraw/zinc/15/35/84/180153584.db2.gz QJKHEJPPRAHDPD-UHFFFAOYSA-N 1 0 261.243 2.198 10 0 CEAERO COCC[N@H+](Cc1cccc(Cl)n1)[C@H](C)COC ZINC000091439395 180156201 /nfs/dbraw/zinc/15/62/01/180156201.db2.gz WTTPJRLDXFKPAM-LLVKDONJSA-N 1 0 272.776 2.218 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)N(C)CC1CC(O)C1 ZINC000091451133 180158803 /nfs/dbraw/zinc/15/88/03/180158803.db2.gz RXNSYCQNKOUTQS-UJFKTDLFSA-N 1 0 266.385 2.069 10 0 CEAERO O=C(c1ccncc1Cl)N1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000091456860 180160160 /nfs/dbraw/zinc/16/01/60/180160160.db2.gz CSXAQAXRVIKCEC-OLZOCXBDSA-N 1 0 279.771 2.092 10 0 CEAERO O=C(c1ccncc1Cl)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000091456898 180160176 /nfs/dbraw/zinc/16/01/76/180160176.db2.gz CSXTWHFCXCFENN-UONOGXRCSA-N 1 0 293.798 2.482 10 0 CEAERO CCn1nc(C)c(Cl)c1C[C@@H](O)C[NH2+]C(C)(C)C ZINC000091466992 180164146 /nfs/dbraw/zinc/16/41/46/180164146.db2.gz YJSOSXKCRPBNJW-SNVBAGLBSA-N 1 0 273.808 2.156 10 0 CEAERO CC[NH2+]CC[C@@](C)(O)Cc1ccc(OC)c(F)c1 ZINC000091466782 180164367 /nfs/dbraw/zinc/16/43/67/180164367.db2.gz VXXIOKROKAKSLM-CQSZACIVSA-N 1 0 255.333 2.127 10 0 CEAERO CCC(CC)n1ccc(C[C@@H](O)C[NH2+]C(C)C)n1 ZINC000091469797 180164802 /nfs/dbraw/zinc/16/48/02/180164802.db2.gz VPOAGGYOKRKKQH-CQSZACIVSA-N 1 0 253.390 2.146 10 0 CEAERO Cc1sc2ncnc(N(C)CC3CC([NH3+])C3)c2c1C ZINC000091472715 180165310 /nfs/dbraw/zinc/16/53/10/180165310.db2.gz GFKWECPZPDRCMY-UHFFFAOYSA-N 1 0 276.409 2.482 10 0 CEAERO C[N@H+](CC1CC(O)C1)C[C@H]1OCCc2ccccc21 ZINC000091489893 180169045 /nfs/dbraw/zinc/16/90/45/180169045.db2.gz BLQIUWHOFVDBGC-LDZOIKDWSA-N 1 0 261.365 2.003 10 0 CEAERO CC1(C)C(C(=O)N2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1(C)C ZINC000091492684 180170683 /nfs/dbraw/zinc/17/06/83/180170683.db2.gz UFFHEBVGOUHHMY-VXGBXAGGSA-N 1 0 264.413 2.412 10 0 CEAERO CC1(C)C(C(=O)N[C@@H]2c3ccccc3C[C@@H]2[NH3+])C1(C)C ZINC000091494705 180171547 /nfs/dbraw/zinc/17/15/47/180171547.db2.gz KTNRRRKFWJUGFR-QWHCGFSZSA-N 1 0 272.392 2.410 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1N1C(=O)CC2(CCCCC2)CC1=O ZINC000091497273 180173112 /nfs/dbraw/zinc/17/31/12/180173112.db2.gz ZNJRXBJSZRJLKV-OLZOCXBDSA-N 1 0 278.396 2.226 10 0 CEAERO C[N@H+](CC1CC(O)C1)CC(C)(C)[C@@H](N)c1ccccc1 ZINC000091499455 180173993 /nfs/dbraw/zinc/17/39/93/180173993.db2.gz RLDXACCDAUAONU-BCLQGDPASA-N 1 0 276.424 2.415 10 0 CEAERO CCOc1ccc(C(=O)CN2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000091395053 180146662 /nfs/dbraw/zinc/14/66/62/180146662.db2.gz XYHMHCYNNYNMOL-OAHLLOKOSA-N 1 0 290.407 2.294 10 0 CEAERO C[C@H](O)C(C)(C)C[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000091405640 180147766 /nfs/dbraw/zinc/14/77/66/180147766.db2.gz WILKAVUHNYJQPF-GOEBONIOSA-N 1 0 276.424 2.382 10 0 CEAERO CCc1ccc(CN2CC3(CC2=O)CC[NH2+]CC3)cc1 ZINC000091411181 180148843 /nfs/dbraw/zinc/14/88/43/180148843.db2.gz XQBPPDHWYBMMEK-UHFFFAOYSA-N 1 0 272.392 2.351 10 0 CEAERO CC(C)[NH2+]Cc1cncc(N2Cc3ccccc3C2)n1 ZINC000091418186 180150117 /nfs/dbraw/zinc/15/01/17/180150117.db2.gz XKESRUFMLIPIIF-UHFFFAOYSA-N 1 0 268.364 2.495 10 0 CEAERO CN(CC(F)(F)F)c1cncc(C[NH2+]C(C)(C)C)n1 ZINC000091419666 180150658 /nfs/dbraw/zinc/15/06/58/180150658.db2.gz PHUOWUNNHPSBLR-UHFFFAOYSA-N 1 0 276.306 2.363 10 0 CEAERO CN(C)[C@@H]1CCC[N@H+](CC2(CO)CCCCCC2)C1 ZINC000091427340 180151805 /nfs/dbraw/zinc/15/18/05/180151805.db2.gz PEDUUWSMTRLPQJ-OAHLLOKOSA-N 1 0 268.445 2.345 10 0 CEAERO CCC[NH2+][C@@H](c1cnn(C)c1)C(C)(C)N1CCCC1 ZINC000091563588 180192890 /nfs/dbraw/zinc/19/28/90/180192890.db2.gz BFOGSLKDHWNSFB-AWEZNQCLSA-N 1 0 264.417 2.335 10 0 CEAERO CCN[C@@H](c1nccn1C)C(C)(C)[NH+]1CCCCC1 ZINC000091565116 180193310 /nfs/dbraw/zinc/19/33/10/180193310.db2.gz SMXDZIGGXHZCTJ-ZDUSSCGKSA-N 1 0 264.417 2.335 10 0 CEAERO Cc1ccccc1C[C@H](O)C(C)(C)[NH+]1CCOCC1 ZINC000091565878 180193452 /nfs/dbraw/zinc/19/34/52/180193452.db2.gz KHEGUSDOXMGFRA-HNNXBMFYSA-N 1 0 263.381 2.009 10 0 CEAERO Cc1cnc(N)c([C@H](N)C(C)(C)[NH+]2CCCCC2)c1 ZINC000091564581 180193520 /nfs/dbraw/zinc/19/35/20/180193520.db2.gz VFRMULKNTCGCKU-ZDUSSCGKSA-N 1 0 262.401 2.237 10 0 CEAERO Cc1cnc(N)c([C@H](O)C(C)(C)[NH+]2CCCCC2)c1 ZINC000091564184 180193684 /nfs/dbraw/zinc/19/36/84/180193684.db2.gz ZGYBKFOZDVHTQP-ZDUSSCGKSA-N 1 0 263.385 2.270 10 0 CEAERO C[NH2+][C@@H](Cc1cnccc1N)C(C)(C)N1CCCCC1 ZINC000091564925 180193703 /nfs/dbraw/zinc/19/37/03/180193703.db2.gz UYRXEULPNMGSHZ-HNNXBMFYSA-N 1 0 276.428 2.059 10 0 CEAERO Cc1cnc(N)c([C@@H](N)C(C)(C)[NH+]2CCCCC2)c1 ZINC000091564582 180193778 /nfs/dbraw/zinc/19/37/78/180193778.db2.gz VFRMULKNTCGCKU-CYBMUJFWSA-N 1 0 262.401 2.237 10 0 CEAERO C[NH2+][C@H](c1ccc(F)cc1)C(C)(C)N1CCOCC1 ZINC000091566650 180193897 /nfs/dbraw/zinc/19/38/97/180193897.db2.gz LVRUSNOIXCQCMA-CQSZACIVSA-N 1 0 266.360 2.197 10 0 CEAERO CCc1ccc(C[C@H]([NH3+])C(C)(C)N2CCOCC2)s1 ZINC000091566345 180194118 /nfs/dbraw/zinc/19/41/18/180194118.db2.gz YBXOQXCCJBFAQO-AWEZNQCLSA-N 1 0 282.453 2.291 10 0 CEAERO CC(C)([C@H]([NH3+])Cc1ccccc1Cl)N1CCOCC1 ZINC000091566301 180194236 /nfs/dbraw/zinc/19/42/36/180194236.db2.gz IYVITSQGVRIQLV-CQSZACIVSA-N 1 0 282.815 2.321 10 0 CEAERO CCn1ncnc1C[C@@H]([NH2+]C)C(C)(C)N1CCCCCC1 ZINC000091568371 180194658 /nfs/dbraw/zinc/19/46/58/180194658.db2.gz IDJOGIFLASPZDQ-CQSZACIVSA-N 1 0 293.459 2.083 10 0 CEAERO C[NH2+][C@H](CCC[C@@H]1CCCO1)C(C)(C)N1CCOCC1 ZINC000091566724 180194901 /nfs/dbraw/zinc/19/49/01/180194901.db2.gz YVLYUOPTHQJZDQ-HUUCEWRRSA-N 1 0 284.444 2.035 10 0 CEAERO Cc1cc(C[C@@H](N)C(C)(C)[NH+]2CCCCCC2)n(C)n1 ZINC000091567960 180195034 /nfs/dbraw/zinc/19/50/34/180195034.db2.gz TYCZXSZYLVNJTH-OAHLLOKOSA-N 1 0 278.444 2.253 10 0 CEAERO C[NH2+][C@@H]([C@@H]1CCOC1)C(C)(C)N1CCCCCC1 ZINC000091568142 180195146 /nfs/dbraw/zinc/19/51/46/180195146.db2.gz PPOUGDXZIGCFNI-KGLIPLIRSA-N 1 0 254.418 2.266 10 0 CEAERO CC[NH2+][C@H](Cc1cc(C)nn1CC)[C@](C)(CC)N(C)C ZINC000091571368 180195353 /nfs/dbraw/zinc/19/53/53/180195353.db2.gz IHLZGLCXRLQODX-CVEARBPZSA-N 1 0 280.460 2.462 10 0 CEAERO CC[C@](C)([C@@H](O)c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000091569107 180195581 /nfs/dbraw/zinc/19/55/81/180195581.db2.gz VSQODHOZGAGMDN-LSDHHAIUSA-N 1 0 267.369 2.468 10 0 CEAERO CC[C@](C)([C@@H](Cc1ccn(C(C)C)n1)[NH2+]C)N(C)C ZINC000091570793 180195917 /nfs/dbraw/zinc/19/59/17/180195917.db2.gz CEUVTGNZCHGPPS-HUUCEWRRSA-N 1 0 266.433 2.325 10 0 CEAERO CC[C@](C)([C@H](Cc1nn(C)c2ccccc12)[NH2+]C)N(C)C ZINC000091570371 180195929 /nfs/dbraw/zinc/19/59/29/180195929.db2.gz FCBCZCKZAFVKGJ-DLBZAZTESA-N 1 0 288.439 2.434 10 0 CEAERO CCC[NH2+][C@H](c1cnccn1)[C@](C)(CC)N(C)C ZINC000091571783 180196042 /nfs/dbraw/zinc/19/60/42/180196042.db2.gz QTZLKZYICBQNLU-KGLIPLIRSA-N 1 0 250.390 2.248 10 0 CEAERO CCC[NH2+][C@@H](Cc1cccnc1N)[C@](C)(CC)N(C)C ZINC000091571902 180196067 /nfs/dbraw/zinc/19/60/67/180196067.db2.gz SETHQHPQJOAKDT-HOCLYGCPSA-N 1 0 278.444 2.305 10 0 CEAERO CCC[NH2+][C@@H](c1cnccc1N)[C@@](C)(CC)N(C)C ZINC000091571888 180196189 /nfs/dbraw/zinc/19/61/89/180196189.db2.gz MDIDLHZZBFNSCS-LSDHHAIUSA-N 1 0 264.417 2.435 10 0 CEAERO CC(C)c1nn(C)c(NCC(C)(C)C[NH+](C)C)c1N ZINC000091576875 180197998 /nfs/dbraw/zinc/19/79/98/180197998.db2.gz SUEPWUXVMIEXQZ-UHFFFAOYSA-N 1 0 267.421 2.125 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@H](NC)c1cncnc1 ZINC000091599145 180202262 /nfs/dbraw/zinc/20/22/62/180202262.db2.gz KRKQXAZPEZYBNI-KGLIPLIRSA-N 1 0 250.390 2.248 10 0 CEAERO CC[C@@](C)([C@@H](O)CC1CCOCC1)[NH+]1CCCC1 ZINC000091603465 180202938 /nfs/dbraw/zinc/20/29/38/180202938.db2.gz JTSCQAONHADFHV-GJZGRUSLSA-N 1 0 255.402 2.429 10 0 CEAERO CC[C@@](C)(C(=O)Cc1cc(C)nn1C)[NH+]1CCCC1 ZINC000091601665 180203252 /nfs/dbraw/zinc/20/32/52/180203252.db2.gz SFGISGUXPAIWAL-HNNXBMFYSA-N 1 0 263.385 2.105 10 0 CEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCc1cc(F)ccc1F ZINC000105124848 186043639 /nfs/dbraw/zinc/04/36/39/186043639.db2.gz FWBUWZALILSCEP-NSHDSACASA-N 1 0 299.365 2.494 10 0 CEAERO CCn1ncnc1CC(=O)[C@@](C)(CC)[NH+]1CCCCC1 ZINC000091608214 180204223 /nfs/dbraw/zinc/20/42/23/180204223.db2.gz OXSKJZBKSHDCDA-OAHLLOKOSA-N 1 0 278.400 2.064 10 0 CEAERO CC[C@@](C)(C(=O)Cc1cc(C)nn1C)[NH+]1CCCCC1 ZINC000091607957 180204411 /nfs/dbraw/zinc/20/44/11/180204411.db2.gz LQEQGFRJNIGAGD-INIZCTEOSA-N 1 0 277.412 2.495 10 0 CEAERO CCn1cc(C[C@@H](N)[C@@](C)(CC)[NH+]2CCCCC2)cn1 ZINC000091609122 180204963 /nfs/dbraw/zinc/20/49/63/180204963.db2.gz KIRREZNGRQULLP-HZPDHXFCSA-N 1 0 278.444 2.427 10 0 CEAERO CC[C@](C)([C@H](N)c1cnccc1N)[NH+]1CCCCC1 ZINC000091609138 180205283 /nfs/dbraw/zinc/20/52/83/180205283.db2.gz MLKXPDJOYCDVSL-HUUCEWRRSA-N 1 0 262.401 2.318 10 0 CEAERO CC[C@@](C)([C@H](N)c1cnccc1N)[NH+]1CCCCC1 ZINC000091609137 180205959 /nfs/dbraw/zinc/20/59/59/180205959.db2.gz MLKXPDJOYCDVSL-CABCVRRESA-N 1 0 262.401 2.318 10 0 CEAERO CC[C@@](C)([C@@H](N)c1cnn(C)c1)[NH+]1CCCCC1 ZINC000091609271 180205980 /nfs/dbraw/zinc/20/59/80/180205980.db2.gz MHIGEWKRKCQKHH-KBPBESRZSA-N 1 0 250.390 2.075 10 0 CEAERO CC[C@@](C)([C@H]([NH3+])c1ccccc1OC)N1CCOCC1 ZINC000091611633 180206386 /nfs/dbraw/zinc/20/63/86/180206386.db2.gz GUYZWWOGEOVYER-CVEARBPZSA-N 1 0 278.396 2.196 10 0 CEAERO CC[C@@](C)([C@H](O)Cc1cccc(C)c1)[NH+]1CCOCC1 ZINC000091611073 180206487 /nfs/dbraw/zinc/20/64/87/180206487.db2.gz MJSNKQSZYNNAOS-SJORKVTESA-N 1 0 277.408 2.399 10 0 CEAERO CC[C@@](C)([C@@H]([NH3+])Cc1cccc(C)c1)N1CCOCC1 ZINC000091611891 180206691 /nfs/dbraw/zinc/20/66/91/180206691.db2.gz VOHLAUAWMWVVRB-IRXDYDNUSA-N 1 0 276.424 2.366 10 0 CEAERO CC[NH2+][C@H](CC1CC1)[C@](C)(CC)N1CCOCC1 ZINC000091612901 180207232 /nfs/dbraw/zinc/20/72/32/180207232.db2.gz QLMGEYMYCLQNBY-CABCVRRESA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@@](C)([C@H]([NH3+])c1ccc(OC)c(F)c1)N1CCOCC1 ZINC000091612161 180207282 /nfs/dbraw/zinc/20/72/82/180207282.db2.gz HYVCNWFLJVRDSB-CVEARBPZSA-N 1 0 296.386 2.335 10 0 CEAERO CC[C@](C)([C@@H]([NH3+])Cc1ccc(F)cc1)N1CCOCC1 ZINC000091612008 180207356 /nfs/dbraw/zinc/20/73/56/180207356.db2.gz BYNMLOICFQFGOG-JKSUJKDBSA-N 1 0 280.387 2.196 10 0 CEAERO CCn1cc(CC(=O)C(CC)(CC)[NH+](C)C)cn1 ZINC000091613283 180207926 /nfs/dbraw/zinc/20/79/26/180207926.db2.gz CABKRFSOSFAXQP-UHFFFAOYSA-N 1 0 251.374 2.135 10 0 CEAERO CC[NH+](CC)C(CC)(CC)[C@H](N)Cc1cccnc1N ZINC000091615899 180207969 /nfs/dbraw/zinc/20/79/69/180207969.db2.gz ONLMCJBYTXBNGO-CQSZACIVSA-N 1 0 278.444 2.434 10 0 CEAERO CCC(CC)([C@H](N)Cc1c(Cl)c(C)nn1C)[NH+](C)C ZINC000091613915 180208107 /nfs/dbraw/zinc/20/81/07/180208107.db2.gz IWXPJKRCZLCJAW-GFCCVEGCSA-N 1 0 286.851 2.372 10 0 CEAERO CCn1ncnc1C[C@H](N)C(CC)(CC)[NH+](CC)CC ZINC000091616102 180208221 /nfs/dbraw/zinc/20/82/21/180208221.db2.gz SMPILYPVSSKTEK-ZDUSSCGKSA-N 1 0 281.448 2.068 10 0 CEAERO Cc1nc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)ccc1Br ZINC000091507078 180176056 /nfs/dbraw/zinc/17/60/56/180176056.db2.gz DXNLHUHOJVXEGI-RKDXNWHRSA-N 1 0 298.184 2.218 10 0 CEAERO Cc1nc(NC(=O)C[NH2+]CC2CC2)ccc1Br ZINC000091507001 180176145 /nfs/dbraw/zinc/17/61/45/180176145.db2.gz LSKMIUBBBKGYPW-UHFFFAOYSA-N 1 0 298.184 2.091 10 0 CEAERO COCC[NH2+]CC[C@](C)(O)c1ccc(OC(C)C)cc1 ZINC000091521055 180178401 /nfs/dbraw/zinc/17/84/01/180178401.db2.gz MPMXXUWEXKKACA-INIZCTEOSA-N 1 0 281.396 2.307 10 0 CEAERO O[C@H](C[NH2+]CC1CC(O)C1)c1ccc2ccccc2c1 ZINC000091525170 180178997 /nfs/dbraw/zinc/17/89/97/180178997.db2.gz QUDDBMOAIHWCDQ-UAIPMZCESA-N 1 0 271.360 2.234 10 0 CEAERO O[C@@H](C[NH2+]CC1CC(O)C1)c1ccc2ccccc2c1 ZINC000091525171 180179191 /nfs/dbraw/zinc/17/91/91/180179191.db2.gz QUDDBMOAIHWCDQ-SEFLRBGSSA-N 1 0 271.360 2.234 10 0 CEAERO C[NH+](C)C(C)(C)[C@H](O)Cc1ccnc2ccccc12 ZINC000091528215 180179524 /nfs/dbraw/zinc/17/95/24/180179524.db2.gz CDRFYIDBVYWHGY-OAHLLOKOSA-N 1 0 258.365 2.478 10 0 CEAERO CC[NH+](CC)C(C)(C)[C@@H](N)Cc1c(Cl)c(C)nn1C ZINC000091530319 180180349 /nfs/dbraw/zinc/18/03/49/180180349.db2.gz WATIEPIONMHHOL-LBPRGKRZSA-N 1 0 286.851 2.372 10 0 CEAERO CC[NH2+][C@H](c1cnccc1N)C(C)(C)N(CC)CC ZINC000091531431 180180442 /nfs/dbraw/zinc/18/04/42/180180442.db2.gz YEBYMTAZEAROMN-CQSZACIVSA-N 1 0 264.417 2.435 10 0 CEAERO CC[NH+](CC)C(C)(C)[C@H](O)Cc1c(Cl)c(C)nn1C ZINC000091530170 180180659 /nfs/dbraw/zinc/18/06/59/180180659.db2.gz NGCPXWYOBUPFIU-GFCCVEGCSA-N 1 0 287.835 2.406 10 0 CEAERO CCC[NH2+][C@@H](c1cnccc1N)C(C)(C)N(C)C ZINC000091529404 180180724 /nfs/dbraw/zinc/18/07/24/180180724.db2.gz KONLXDNABLJAQU-ZDUSSCGKSA-N 1 0 250.390 2.045 10 0 CEAERO CCN(CC)C(C)(C)[C@H](Cc1ncnn1C(C)C)[NH2+]C ZINC000091531187 180180800 /nfs/dbraw/zinc/18/08/00/180180800.db2.gz UEVUQJJKXWMTHA-ZDUSSCGKSA-N 1 0 281.448 2.110 10 0 CEAERO CC[NH+](CC)C(C)(C)[C@@H](O)Cc1c(Cl)c(C)nn1C ZINC000091530171 180181005 /nfs/dbraw/zinc/18/10/05/180181005.db2.gz NGCPXWYOBUPFIU-LBPRGKRZSA-N 1 0 287.835 2.406 10 0 CEAERO C[NH2+][C@@H](c1cncc(F)c1)C(C)(C)N1CCCC1 ZINC000091534838 180181923 /nfs/dbraw/zinc/18/19/23/180181923.db2.gz RJZUMIYGBNWGDN-ZDUSSCGKSA-N 1 0 251.349 2.356 10 0 CEAERO C[NH2+][C@@H](Cc1ccn(C(C)C)n1)C(C)(C)N1CCCC1 ZINC000091534864 180182138 /nfs/dbraw/zinc/18/21/38/180182138.db2.gz WBGRAUWMBPFMPE-HNNXBMFYSA-N 1 0 278.444 2.469 10 0 CEAERO CC[NH2+][C@@H](Cc1ccccn1)C(C)(C)N1CCCC1 ZINC000091535136 180182426 /nfs/dbraw/zinc/18/24/26/180182426.db2.gz AMNCZARUWHMGBZ-HNNXBMFYSA-N 1 0 261.413 2.477 10 0 CEAERO COC(=O)c1ccc(Cl)cc1NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091541950 180183490 /nfs/dbraw/zinc/18/34/90/180183490.db2.gz QCXPBNBFRAVRIZ-PSASIEDQSA-N 1 0 296.754 2.193 10 0 CEAERO CN(C(=O)[C@H]1CC[C@H]([NH3+])C1)C1C2CC3CC(C2)CC1C3 ZINC000091542266 180184402 /nfs/dbraw/zinc/18/44/02/180184402.db2.gz CDPPCTLRUMWRCH-LOPNKKAKSA-N 1 0 276.424 2.397 10 0 CEAERO Cc1ccnc(Cl)c1NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091543889 180184996 /nfs/dbraw/zinc/18/49/96/180184996.db2.gz ZIPGLRZXRRUAIB-BDAKNGLRSA-N 1 0 253.733 2.109 10 0 CEAERO CCCN1C(=O)C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2CC)C1=O ZINC000105025689 186038295 /nfs/dbraw/zinc/03/82/95/186038295.db2.gz WDLUHGNYAPYJGY-YNEHKIRRSA-N 1 0 266.385 2.082 10 0 CEAERO CCCCC[C@@H](C)[NH2+][C@H]1CC(=O)N([C@@H](C)CC)C1=O ZINC000105021305 186038642 /nfs/dbraw/zinc/03/86/42/186038642.db2.gz IDWKIUQCFCVDMJ-AGIUHOORSA-N 1 0 268.401 2.471 10 0 CEAERO CCC(CC)(C(=O)Cc1ccnc(N)c1)[NH+]1CCCC1 ZINC000091634195 180210267 /nfs/dbraw/zinc/21/02/67/180210267.db2.gz NBDXYCDBAJIJSA-UHFFFAOYSA-N 1 0 275.396 2.430 10 0 CEAERO CC[C@H](C)[C@H](C)NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105188161 186046119 /nfs/dbraw/zinc/04/61/19/186046119.db2.gz AQSYMHBCSREOMM-MELADBBJSA-N 1 0 267.417 2.301 10 0 CEAERO CCC(CC)([C@H](N)c1cnn(C)c1)[NH+]1CCCC1 ZINC000091634878 180211130 /nfs/dbraw/zinc/21/11/30/180211130.db2.gz HATVVOJYQSQJFF-CYBMUJFWSA-N 1 0 250.390 2.075 10 0 CEAERO CCC(CC)([C@@H](N)Cc1cccnc1N)[NH+]1CCCC1 ZINC000091634817 180211566 /nfs/dbraw/zinc/21/15/66/180211566.db2.gz GQVRCLSASYQTBP-AWEZNQCLSA-N 1 0 276.428 2.188 10 0 CEAERO CCn1ncnc1CC(=O)C1([NH+](CC)CC)CCCC1 ZINC000091638672 180212194 /nfs/dbraw/zinc/21/21/94/180212194.db2.gz DPEOFALCZSQHEM-UHFFFAOYSA-N 1 0 278.400 2.064 10 0 CEAERO CC[NH2+][C@@H](Cc1cccnc1N)C1(N(C)C)CCCC1 ZINC000091638017 180212561 /nfs/dbraw/zinc/21/25/61/180212561.db2.gz ZPGACDVNORCITH-AWEZNQCLSA-N 1 0 276.428 2.059 10 0 CEAERO Cn1nccc1[C@@H](O)C1([NH+]2CCCCC2)CCCC1 ZINC000091641777 180213136 /nfs/dbraw/zinc/21/31/36/180213136.db2.gz PSVKOLYEODEHSU-CQSZACIVSA-N 1 0 263.385 2.252 10 0 CEAERO Cc1ccnc(N)c1[C@H](N)C1([NH+]2CCCC2)CCCC1 ZINC000091640536 180213398 /nfs/dbraw/zinc/21/33/98/180213398.db2.gz MELLTWBDMPFIMT-AWEZNQCLSA-N 1 0 274.412 2.381 10 0 CEAERO Cn1ccnc1[C@@H](O)C1([NH+]2CCCCC2)CCCC1 ZINC000091641745 180213548 /nfs/dbraw/zinc/21/35/48/180213548.db2.gz BKPUZYPWYACSDN-CYBMUJFWSA-N 1 0 263.385 2.252 10 0 CEAERO [NH3+][C@@H](c1cccs1)C1(N2CCOCC2)CCCC1 ZINC000091643091 180213973 /nfs/dbraw/zinc/21/39/73/180213973.db2.gz LVAYHZQQOYKGAB-ZDUSSCGKSA-N 1 0 266.410 2.393 10 0 CEAERO Cc1ccnc(N)c1[C@H](N)C1([NH+](C)C)CCCCC1 ZINC000091647058 180215628 /nfs/dbraw/zinc/21/56/28/180215628.db2.gz AXIDUQYTMIXLGR-ZDUSSCGKSA-N 1 0 262.401 2.237 10 0 CEAERO C[NH2+][C@H](Cc1cc(C)nn1C)C1(N(C)C)CCCCC1 ZINC000091647566 180215718 /nfs/dbraw/zinc/21/57/18/180215718.db2.gz IMCPBKGTRCJLTL-OAHLLOKOSA-N 1 0 278.444 2.124 10 0 CEAERO C[C@@H]1CCC[C@@](C(=O)C2CCOCC2)([NH+](C)C)C1 ZINC000091650030 180216141 /nfs/dbraw/zinc/21/61/41/180216141.db2.gz AODVVRUCJNODJF-IUODEOHRSA-N 1 0 253.386 2.493 10 0 CEAERO C[NH2+][C@@H](Cc1ccnc(N)c1)C1(N(C)C)CCC(C)CC1 ZINC000091649074 180216439 /nfs/dbraw/zinc/21/64/39/180216439.db2.gz HPUYFDJBWAQQOW-GULBITTBSA-N 1 0 290.455 2.305 10 0 CEAERO CCn1ccnc1[C@H](N)C1([NH+](C)C)CCC(C)CC1 ZINC000091648929 180216483 /nfs/dbraw/zinc/21/64/83/180216483.db2.gz XJUQTDPHSSESCK-OWYJLGKBSA-N 1 0 264.417 2.413 10 0 CEAERO CC(C)n1ncnc1C[C@@H](O)[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000091651097 180216909 /nfs/dbraw/zinc/21/69/09/180216909.db2.gz LMEPBOPCVWIXCR-IIAWOOMASA-N 1 0 294.443 2.273 10 0 CEAERO CN[C@H](c1nccn1C)[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000091652665 180216924 /nfs/dbraw/zinc/21/69/24/180216924.db2.gz PDFCVNRBAKGMRU-NFAWXSAZSA-N 1 0 264.417 2.191 10 0 CEAERO C[NH+](C)C1([C@H](N)Cc2cccnc2N)CCCCCC1 ZINC000091654151 180217262 /nfs/dbraw/zinc/21/72/62/180217262.db2.gz AMBUQZKZJFKGFU-CQSZACIVSA-N 1 0 276.428 2.188 10 0 CEAERO CC(C)[C@H](C[NH+](C)C)Nc1nc(Cl)ncc1F ZINC000091655376 180217461 /nfs/dbraw/zinc/21/74/61/180217461.db2.gz DLENBFDGFUZCHP-VIFPVBQESA-N 1 0 260.744 2.267 10 0 CEAERO CCCN(CC[NH+](C)C)c1nc(Cl)ncc1F ZINC000091655551 180217812 /nfs/dbraw/zinc/21/78/12/180217812.db2.gz OAMGXHSIBBNRJS-UHFFFAOYSA-N 1 0 260.744 2.047 10 0 CEAERO CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CN(C)CCO2)CC1 ZINC000091667702 180223326 /nfs/dbraw/zinc/22/33/26/180223326.db2.gz KRADEAZULKTDEI-RBSFLKMASA-N 1 0 254.418 2.266 10 0 CEAERO CC[NH2+][C@H](Cc1ccc(F)cc1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721889 180239454 /nfs/dbraw/zinc/23/94/54/180239454.db2.gz ZYEMSUKMQZHYHP-ZACQAIPSSA-N 1 0 292.398 2.210 10 0 CEAERO CC[NH+](CC)CC[C@H](O)Cc1c(Cl)c(C)nn1C ZINC000091714286 180231680 /nfs/dbraw/zinc/23/16/80/180231680.db2.gz JULRGDVJIMZLLR-NSHDSACASA-N 1 0 273.808 2.017 10 0 CEAERO O=C(CCc1cccs1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091714192 180231767 /nfs/dbraw/zinc/23/17/67/180231767.db2.gz LUANQSQAMIBWQS-RISCZKNCSA-N 1 0 265.378 2.113 10 0 CEAERO C[NH2+][C@H](c1ccc(OC(C)C)cc1)[C@@H]1CN(C)CCO1 ZINC000091717604 180232350 /nfs/dbraw/zinc/23/23/50/180232350.db2.gz RZPMPTUDQWIRFW-JKSUJKDBSA-N 1 0 278.396 2.065 10 0 CEAERO C[NH2+][C@H](Cc1ccc(C(C)(C)C)cc1)[C@@H]1CN(C)CCO1 ZINC000091717568 180232385 /nfs/dbraw/zinc/23/23/85/180232385.db2.gz VRXRXKGGUKUPRT-SJORKVTESA-N 1 0 290.451 2.445 10 0 CEAERO CCC[NH2+][C@@H](c1cc(F)ccc1F)[C@@H]1CN(C)CCO1 ZINC000091718938 180233131 /nfs/dbraw/zinc/23/31/31/180233131.db2.gz FABJAYPEHIELDT-GJZGRUSLSA-N 1 0 284.350 2.336 10 0 CEAERO CC[NH2+][C@H](c1ccc(C)c(C)c1)[C@@H]1CN(C)CCO1 ZINC000091718699 180233428 /nfs/dbraw/zinc/23/34/28/180233428.db2.gz LQTOVMGJAJBKDF-JKSUJKDBSA-N 1 0 262.397 2.285 10 0 CEAERO CCC1CCC([C@H]([NH2+]C)[C@H]2CN(C)CCO2)CC1 ZINC000091718096 180233528 /nfs/dbraw/zinc/23/35/28/180233528.db2.gz QHJZRYCNXPLPGA-CVSAEHQPSA-N 1 0 254.418 2.121 10 0 CEAERO CCC[NH2+][C@H](c1ccc(C)s1)[C@@H]1CN(C)CCO1 ZINC000091719543 180234013 /nfs/dbraw/zinc/23/40/13/180234013.db2.gz NOTWGSGRWBRFSV-JSGCOSHPSA-N 1 0 268.426 2.428 10 0 CEAERO CCC[NH2+][C@H](c1ccccc1OCC)[C@H]1CN(C)CCO1 ZINC000091719445 180234114 /nfs/dbraw/zinc/23/41/14/180234114.db2.gz PAGVVOGYCFCLFU-IAGOWNOFSA-N 1 0 292.423 2.457 10 0 CEAERO CCC[NH2+][C@H](c1ccccc1F)[C@H]1CN(C)CCO1 ZINC000091719229 180234509 /nfs/dbraw/zinc/23/45/09/180234509.db2.gz QVCHEJXQOWJQPH-HUUCEWRRSA-N 1 0 266.360 2.197 10 0 CEAERO C[NH2+][C@H](c1cc(C)cc(C)c1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091720914 180235923 /nfs/dbraw/zinc/23/59/23/180235923.db2.gz XAMZAOYBEHVMOX-IXDOHACOSA-N 1 0 274.408 2.427 10 0 CEAERO CC[NH2+][C@H](CC1CCCC1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721561 180238985 /nfs/dbraw/zinc/23/89/85/180238985.db2.gz BNFQFJCZIKIREB-OAGGEKHMSA-N 1 0 266.429 2.408 10 0 CEAERO C[NH2+][C@H](c1ccc(F)cc1C)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721317 180239095 /nfs/dbraw/zinc/23/90/95/180239095.db2.gz XUQSUQRYLFSJLW-VNQPRFMTSA-N 1 0 278.371 2.258 10 0 CEAERO CCc1ccc(C(=O)N2C[C@H](CC)[NH2+]C[C@H]2CC)o1 ZINC000091762865 180248562 /nfs/dbraw/zinc/24/85/62/180248562.db2.gz LJUKKTBYCPZLJK-NWDGAFQWSA-N 1 0 264.369 2.445 10 0 CEAERO CCc1ccc(C(=O)NC[C@H]2CCCC[C@H]2[NH3+])o1 ZINC000091777333 180251942 /nfs/dbraw/zinc/25/19/42/180251942.db2.gz YZWJRAODRRNNHE-ZYHUDNBSSA-N 1 0 250.342 2.089 10 0 CEAERO CCC[C@H](C)NC(=O)Cn1cccc1[C@@H](C)[NH2+]C ZINC000091801218 180259494 /nfs/dbraw/zinc/25/94/94/180259494.db2.gz VKRLYMOONQHGIJ-NWDGAFQWSA-N 1 0 251.374 2.073 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]Cc2ccc[nH]c2=O)c1C ZINC000624258412 350248117 /nfs/dbraw/zinc/24/81/17/350248117.db2.gz JBOQEYGEEHSNEE-JTQLQIEISA-N 1 0 274.368 2.471 10 0 CEAERO CCN(C)C(=O)CC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000130451762 365959561 /nfs/dbraw/zinc/95/95/61/365959561.db2.gz NRPJNRHXBVJYAH-LBPRGKRZSA-N 1 0 250.342 2.285 10 0 CEAERO C[NH2+][C@@H](C)c1cccn1Cc1ncc(Cl)n1C ZINC000091800764 180259252 /nfs/dbraw/zinc/25/92/52/180259252.db2.gz GNIMMVPBQLPVOM-VIFPVBQESA-N 1 0 252.749 2.204 10 0 CEAERO CN1CCO[C@@H](c2nc(-c3ccc(C[NH3+])cc3)cs2)C1 ZINC000091723966 180241639 /nfs/dbraw/zinc/24/16/39/180241639.db2.gz QUXVADIRKUWIJJ-CQSZACIVSA-N 1 0 289.404 2.272 10 0 CEAERO Cc1nc(CN(C)C)nc(C)c1[C@@H](C)C[NH2+]C(C)C ZINC000091723771 180241697 /nfs/dbraw/zinc/24/16/97/180241697.db2.gz ZSENBBAGAUZZID-NSHDSACASA-N 1 0 264.417 2.257 10 0 CEAERO CCCN(C(=O)Cc1ccc(O)cc1)C1CCC([NH3+])CC1 ZINC000091851900 180272643 /nfs/dbraw/zinc/27/26/43/180272643.db2.gz XEPWHXXCSGYOJC-UHFFFAOYSA-N 1 0 290.407 2.443 10 0 CEAERO CCCN(c1nnc(C)s1)C1CCC([NH3+])CC1 ZINC000091852783 180272832 /nfs/dbraw/zinc/27/28/32/180272832.db2.gz IDUXDLDUJRQMHV-UHFFFAOYSA-N 1 0 254.403 2.333 10 0 CEAERO CCCN(C(=O)c1ccc(O)cc1O)C1CCC([NH3+])CC1 ZINC000091851896 180272967 /nfs/dbraw/zinc/27/29/67/180272967.db2.gz FLQZYNIFBMDCRL-UHFFFAOYSA-N 1 0 292.379 2.220 10 0 CEAERO CC(C)c1noc(C[N@H+](C)C2CCC3(CC2)OCCO3)n1 ZINC000091853647 180273834 /nfs/dbraw/zinc/27/38/34/180273834.db2.gz GTMJEPPFVNLPJW-UHFFFAOYSA-N 1 0 295.383 2.311 10 0 CEAERO C[N@H+](C[C@H]1CCCCO1)C1CCC2(CC1)OCCO2 ZINC000091853509 180273898 /nfs/dbraw/zinc/27/38/98/180273898.db2.gz ANSSABPJAHEWDN-CQSZACIVSA-N 1 0 269.385 2.173 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)c2cc(C)ccc2O)CC1 ZINC000091854405 180274640 /nfs/dbraw/zinc/27/46/40/180274640.db2.gz ANNNMECFSCJGGB-UHFFFAOYSA-N 1 0 276.380 2.303 10 0 CEAERO CCC[NH2+][C@@H](C)c1cccn1CCC(=O)NCC ZINC000091802812 180260164 /nfs/dbraw/zinc/26/01/64/180260164.db2.gz JBGZEEJMXOFHON-LBPRGKRZSA-N 1 0 251.374 2.075 10 0 CEAERO C[C@@H]([NH3+])c1ccn(CCCOCC(F)(F)F)c1 ZINC000091803286 180260168 /nfs/dbraw/zinc/26/01/68/180260168.db2.gz PBJOKRJORNTWPG-SECBINFHSA-N 1 0 250.264 2.477 10 0 CEAERO CCC[C@@H](C)NC(=O)Cn1ccc([C@H](C)[NH2+]C)c1 ZINC000091804631 180260261 /nfs/dbraw/zinc/26/02/61/180260261.db2.gz WWJAPBHLCSHXDU-NEPJUHHUSA-N 1 0 251.374 2.073 10 0 CEAERO CC[NH2+][C@H](C)c1ccn(CC(=O)N[C@H](C)C(C)C)c1 ZINC000091805178 180260856 /nfs/dbraw/zinc/26/08/56/180260856.db2.gz XCTZUYOGGGDGND-CHWSQXEVSA-N 1 0 265.401 2.319 10 0 CEAERO CC[C@H]([NH3+])c1ccn(CCOCC(F)(F)F)c1 ZINC000091816163 180261267 /nfs/dbraw/zinc/26/12/67/180261267.db2.gz COURXOIAGRDHGI-JTQLQIEISA-N 1 0 250.264 2.477 10 0 CEAERO CC[NH2+][C@@H](CC)c1ccn(CC(=O)NC(C)C)c1 ZINC000091817117 180263311 /nfs/dbraw/zinc/26/33/11/180263311.db2.gz XEZNFWMGOUGISP-ZDUSSCGKSA-N 1 0 251.374 2.073 10 0 CEAERO CCC[C@@H]([NH2+]C)c1ccn(Cc2nnc(C)n2C)c1 ZINC000091822301 180263932 /nfs/dbraw/zinc/26/39/32/180263932.db2.gz IEOFDLRNDIAUBD-CYBMUJFWSA-N 1 0 261.373 2.034 10 0 CEAERO CCCn1cncc1[C@H](O)C1(C[NH3+])CCC(C)CC1 ZINC000091926405 180287592 /nfs/dbraw/zinc/28/75/92/180287592.db2.gz ORWJPSQSBBCNOH-BLZCZZARSA-N 1 0 265.401 2.482 10 0 CEAERO COC(OC)[C@](C)(O)C1(C[NH3+])CCC(C(C)C)CC1 ZINC000091925866 180287726 /nfs/dbraw/zinc/28/77/26/180287726.db2.gz FWWQMCPKLHOYSC-BLZCZZARSA-N 1 0 273.417 2.148 10 0 CEAERO CC(C)[NH2+]Cc1ncoc1-c1ccc(S(C)(=O)=O)cc1 ZINC000091958445 180292169 /nfs/dbraw/zinc/29/21/69/180292169.db2.gz RLSSPPGPJGTLBS-UHFFFAOYSA-N 1 0 294.376 2.243 10 0 CEAERO CCC1CCC(C[NH3+])(N(CC)C(=O)N(C)C)CC1 ZINC000091960681 180292232 /nfs/dbraw/zinc/29/22/32/180292232.db2.gz JHPSGGZFDDLJFK-UHFFFAOYSA-N 1 0 255.406 2.288 10 0 CEAERO COCC[NH2+]Cc1ncoc1-c1ccc(F)cc1 ZINC000091959469 180292246 /nfs/dbraw/zinc/29/22/46/180292246.db2.gz PHJVQLPSQLTVKN-UHFFFAOYSA-N 1 0 250.273 2.217 10 0 CEAERO CN(C)C(=O)Nc1ccc(C[NH3+])c(C(F)(F)F)c1 ZINC000091960689 180292529 /nfs/dbraw/zinc/29/25/29/180292529.db2.gz ILEKLBYPSPAFFP-UHFFFAOYSA-N 1 0 261.247 2.258 10 0 CEAERO CCN(C(=O)N1CCCCCC1)[C@](C)(CC)C[NH3+] ZINC000091971126 180294893 /nfs/dbraw/zinc/29/48/93/180294893.db2.gz XUWPPRAMFLSLJN-CQSZACIVSA-N 1 0 255.406 2.432 10 0 CEAERO C[NH2+]C1CCC(N(C)Cc2nnsc2Cl)CC1 ZINC000091873243 180278258 /nfs/dbraw/zinc/27/82/58/180278258.db2.gz XVYFVRTXHGNKKW-UHFFFAOYSA-N 1 0 274.821 2.154 10 0 CEAERO CC[C@H](C)[C@](C)(O)[C@@]1(C[NH3+])COc2ccccc2C1 ZINC000091906592 180284169 /nfs/dbraw/zinc/28/41/69/180284169.db2.gz AQQMAYWSDFQJIL-RCBQFDQVSA-N 1 0 263.381 2.364 10 0 CEAERO COc1ccc([C@@H](O)C2(C[NH3+])CCCC2)c(OC)c1 ZINC000091909616 180284557 /nfs/dbraw/zinc/28/45/57/180284557.db2.gz OPEWZPAPXCZUHM-CQSZACIVSA-N 1 0 265.353 2.256 10 0 CEAERO [NH3+]C[C@]1([C@@H](O)c2cccs2)CCOc2ccccc21 ZINC000091910091 180284584 /nfs/dbraw/zinc/28/45/84/180284584.db2.gz JTZLOWSCPUHDIX-LSDHHAIUSA-N 1 0 275.373 2.461 10 0 CEAERO Cc1ccc([C@@H](O)[C@]2(C[NH3+])COc3ccccc3C2)o1 ZINC000091909206 180284690 /nfs/dbraw/zinc/28/46/90/180284690.db2.gz NXNVXPZLOUMKDH-HZPDHXFCSA-N 1 0 273.332 2.202 10 0 CEAERO [NH3+]CC1([C@@H](O)c2cnn(-c3ccccc3)c2)CCCC1 ZINC000091909361 180284800 /nfs/dbraw/zinc/28/48/00/180284800.db2.gz PZASUGFRAWNVTL-HNNXBMFYSA-N 1 0 271.364 2.425 10 0 CEAERO CC[C@@H](C[NH3+])[C@@H](O)c1ccc(OC)c(OC)c1Cl ZINC000091912693 180285094 /nfs/dbraw/zinc/28/50/94/180285094.db2.gz UHWZTBYIOVFUCO-QPUJVOFHSA-N 1 0 273.760 2.376 10 0 CEAERO [NH3+]CC1([C@H](O)c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000091911878 180285129 /nfs/dbraw/zinc/28/51/29/180285129.db2.gz HHZPFWYVXNACIS-GFCCVEGCSA-N 1 0 289.297 2.494 10 0 CEAERO COc1cc(OC)cc([C@@H](O)C2(C[NH3+])CCCC2)c1 ZINC000091911704 180285203 /nfs/dbraw/zinc/28/52/03/180285203.db2.gz JHOKNGMKXBUFMN-CQSZACIVSA-N 1 0 265.353 2.256 10 0 CEAERO CC[C@H]1CCC[N@H+](Cc2c(C)nn(C)c2OC)C1 ZINC000091919434 180286875 /nfs/dbraw/zinc/28/68/75/180286875.db2.gz HEZHHDBPSJUFQF-LBPRGKRZSA-N 1 0 251.374 2.359 10 0 CEAERO CC[C@@](O)(C1CC1)[C@]1(C[NH3+])COc2ccccc2C1 ZINC000091921779 180286936 /nfs/dbraw/zinc/28/69/36/180286936.db2.gz INVXHOIAGPCLJB-HZPDHXFCSA-N 1 0 261.365 2.118 10 0 CEAERO Nc1cccc(SC[C@@H](O)[C@H]([NH3+])Cc2ccccc2)c1 ZINC000091927326 180287229 /nfs/dbraw/zinc/28/72/29/180287229.db2.gz MISGPGZCKSSUER-HZPDHXFCSA-N 1 0 288.416 2.292 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@@H](C)c2ccc(C)cc2)C1 ZINC000092052457 180312766 /nfs/dbraw/zinc/31/27/66/180312766.db2.gz OKXPYVYCPWHZPB-HOCLYGCPSA-N 1 0 262.397 2.366 10 0 CEAERO CCN1CCO[C@@H](COc2cc(C)ccc2[C@@H](C)[NH2+]C)C1 ZINC000092051362 180312971 /nfs/dbraw/zinc/31/29/71/180312971.db2.gz GGCDGSJVUGLEDH-HUUCEWRRSA-N 1 0 292.423 2.375 10 0 CEAERO CN(C(=O)N1CCCCC1)c1cccc(C(N)=[NH2+])c1 ZINC000091969854 180295253 /nfs/dbraw/zinc/29/52/53/180295253.db2.gz OXGUDYBZSIMTJS-UHFFFAOYSA-N 1 0 260.341 2.013 10 0 CEAERO CC1CCN(C(=O)NCc2cccc(C[NH3+])c2)CC1 ZINC000091972681 180296126 /nfs/dbraw/zinc/29/61/26/180296126.db2.gz VLDZVBUYGPKTBC-UHFFFAOYSA-N 1 0 261.369 2.087 10 0 CEAERO CC1CCN(C(=O)N2CCC[C@H]2[C@H]2CCC[NH2+]C2)CC1 ZINC000091973191 180296767 /nfs/dbraw/zinc/29/67/67/180296767.db2.gz DRVCNEGRWHJDRM-GJZGRUSLSA-N 1 0 279.428 2.302 10 0 CEAERO CC1CCN(C(=O)N(C)[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000091991540 180299867 /nfs/dbraw/zinc/29/98/67/180299867.db2.gz QXXDGUMNVZZLIK-KBPBESRZSA-N 1 0 267.417 2.288 10 0 CEAERO C[C@@H]1CCCN(C(=O)N(C)[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000091991544 180299975 /nfs/dbraw/zinc/29/99/75/180299975.db2.gz QRNVPRLIRBUNNP-MCIONIFRSA-N 1 0 267.417 2.288 10 0 CEAERO CC1CCN(C(=O)NC[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000091993220 180300249 /nfs/dbraw/zinc/30/02/49/180300249.db2.gz LQVQWINPUXLLPY-KGLIPLIRSA-N 1 0 267.417 2.193 10 0 CEAERO C[NH2+]Cc1nc(C)ccc1O[C@@H]1CCCCC[C@H]1O ZINC000091994225 180300832 /nfs/dbraw/zinc/30/08/32/180300832.db2.gz ZCKQYTDRADAUGR-UKRRQHHQSA-N 1 0 264.369 2.182 10 0 CEAERO CCC(CC)NC(=O)[C@H](C)Oc1ccc(C)nc1C[NH2+]C ZINC000091994397 180300859 /nfs/dbraw/zinc/30/08/59/180300859.db2.gz CCUXITOWCHGJNY-LBPRGKRZSA-N 1 0 293.411 2.182 10 0 CEAERO CC[NH2+]Cc1nc(C)ccc1O[C@H](C)C(=O)N[C@@H](C)CC ZINC000091994792 180300921 /nfs/dbraw/zinc/30/09/21/180300921.db2.gz XYTQGEBCMVXICO-WCQYABFASA-N 1 0 293.411 2.182 10 0 CEAERO CCc1nn(C)c(COc2ccc(C)nc2C[NH3+])c1Cl ZINC000091993849 180301211 /nfs/dbraw/zinc/30/12/11/180301211.db2.gz DDNRDCNILGNPLU-UHFFFAOYSA-N 1 0 294.786 2.377 10 0 CEAERO COc1ccc(COc2ccc(C)nc2C[NH3+])cc1 ZINC000091994092 180301550 /nfs/dbraw/zinc/30/15/50/180301550.db2.gz OLRYUIJNMAHDLX-UHFFFAOYSA-N 1 0 258.321 2.436 10 0 CEAERO CCNC(=O)CCOc1ccc(C)nc1C[NH2+]CC(C)C ZINC000091996450 180302132 /nfs/dbraw/zinc/30/21/32/180302132.db2.gz SDQUPDDTCKPRRB-UHFFFAOYSA-N 1 0 293.411 2.041 10 0 CEAERO CCOC(=O)COc1ccc(C)nc1C[NH2+]CC(C)C ZINC000091996477 180302395 /nfs/dbraw/zinc/30/23/95/180302395.db2.gz DPZWSNGKVHYPJM-UHFFFAOYSA-N 1 0 280.368 2.078 10 0 CEAERO CCOC[C@H](O)COc1ccc(C)nc1C[NH2+]C(C)(C)C ZINC000091996048 180302482 /nfs/dbraw/zinc/30/24/82/180302482.db2.gz ANFSPSUMDVMWHC-ZDUSSCGKSA-N 1 0 296.411 2.054 10 0 CEAERO COc1cc(C(=O)N2C[C@H]([NH3+])[C@@H](C(C)C)C2)ccc1C ZINC000091997272 180302777 /nfs/dbraw/zinc/30/27/77/180302777.db2.gz WLCJIBLCXONLTA-KGLIPLIRSA-N 1 0 276.380 2.059 10 0 CEAERO Cc1noc(C)c1COc1ccc(C)nc1C[C@@H](C)[NH3+] ZINC000091999970 180303481 /nfs/dbraw/zinc/30/34/81/180303481.db2.gz WPGDHAPZQACKPO-SECBINFHSA-N 1 0 275.352 2.464 10 0 CEAERO C[C@H](O)CCC(=O)Nc1ccccc1C[NH+]1CCCC1 ZINC000092152908 180335272 /nfs/dbraw/zinc/33/52/72/180335272.db2.gz RACHOUSYMNMCOJ-ZDUSSCGKSA-N 1 0 276.380 2.382 10 0 CEAERO CCCN(C(C)C)S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092115609 180327164 /nfs/dbraw/zinc/32/71/64/180327164.db2.gz JGAUSQICIDJXAC-UHFFFAOYSA-N 1 0 288.388 2.094 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)N[C@H](c1cccs1)C(C)C ZINC000092133523 180331270 /nfs/dbraw/zinc/33/12/70/180331270.db2.gz KXHSIBBSQPTOTI-JQWIXIFHSA-N 1 0 254.399 2.417 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)N(Cc1ccsc1)C1CC1 ZINC000092135463 180332537 /nfs/dbraw/zinc/33/25/37/180332537.db2.gz KUHASCBVAAXBEI-SNVBAGLBSA-N 1 0 252.383 2.095 10 0 CEAERO CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H](C)C[NH2+]C ZINC000092134577 180332574 /nfs/dbraw/zinc/33/25/74/180332574.db2.gz CJYXINXUOSDCPN-JTQLQIEISA-N 1 0 270.323 2.169 10 0 CEAERO CC[NH2+][C@@H](Cc1cc(CC)nn1CC)C(C)(C)OC ZINC000092139565 180333851 /nfs/dbraw/zinc/33/38/51/180333851.db2.gz SSVUMRWBSXXCNM-AWEZNQCLSA-N 1 0 267.417 2.411 10 0 CEAERO COC(C)(C)c1nc(C)c(CC[NH2+]C2CC2)c(C)n1 ZINC000092141007 180333885 /nfs/dbraw/zinc/33/38/85/180333885.db2.gz SHKFJIDTRKPRHZ-UHFFFAOYSA-N 1 0 263.385 2.269 10 0 CEAERO CC[NH2+][C@H](Cc1nc(C(C)(C)OC)no1)C(C)C ZINC000092141423 180334515 /nfs/dbraw/zinc/33/45/15/180334515.db2.gz FRSWPYNWNCXRMC-SNVBAGLBSA-N 1 0 255.362 2.128 10 0 CEAERO CC[NH+](CC)Cc1ccccc1NC(=O)CCCO ZINC000092152811 180335169 /nfs/dbraw/zinc/33/51/69/180335169.db2.gz RFAYIYYEDNAQCV-UHFFFAOYSA-N 1 0 264.369 2.239 10 0 CEAERO C[C@H]1C[N@H+](CCOc2ccccc2C(N)=S)C[C@H]1C ZINC000092085517 180320185 /nfs/dbraw/zinc/32/01/85/180320185.db2.gz HGGRQATYHGOXGB-TXEJJXNPSA-N 1 0 278.421 2.287 10 0 CEAERO COc1ccc(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)cc1Cl ZINC000092201163 180342386 /nfs/dbraw/zinc/34/23/86/180342386.db2.gz NPBJMELJXMAWFV-DTWKUNHWSA-N 1 0 266.728 2.191 10 0 CEAERO Cc1ccc(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)cc1Cl ZINC000092201105 180342632 /nfs/dbraw/zinc/34/26/32/180342632.db2.gz WVFSDAUPDZBGIR-VHSXEESVSA-N 1 0 250.729 2.490 10 0 CEAERO Cc1cc(Cl)ccc1NC(=O)[C@@H]1C=C[C@H]([NH3+])C1 ZINC000092201717 180342715 /nfs/dbraw/zinc/34/27/15/180342715.db2.gz UINSHPQXTGZREW-KOLCDFICSA-N 1 0 250.729 2.490 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2cccc(OC(F)(F)F)c2)C1 ZINC000092201639 180342823 /nfs/dbraw/zinc/34/28/23/180342823.db2.gz QKUCIUHJPDCQIO-RKDXNWHRSA-N 1 0 286.253 2.427 10 0 CEAERO Cc1nc(-c2ccc(NC(=O)[C@H]3C=C[C@H]([NH3+])C3)cc2)co1 ZINC000092203087 180343284 /nfs/dbraw/zinc/34/32/84/180343284.db2.gz VZOZBZVKABWAOX-STQMWFEESA-N 1 0 283.331 2.492 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)N[C@@H]2CCSc3ccc(F)cc32)C1 ZINC000092202767 180343361 /nfs/dbraw/zinc/34/33/61/180343361.db2.gz SFDPMUNHSMEUGA-UFGOTCBOSA-N 1 0 292.379 2.382 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)N(Cc2ccc(F)cc2F)C2CC2)C1 ZINC000092204888 180343605 /nfs/dbraw/zinc/34/36/05/180343605.db2.gz RPCPYXACFMFUFG-MFKMUULPSA-N 1 0 292.329 2.359 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2cccc(-c3cnco3)c2)C1 ZINC000092204220 180343845 /nfs/dbraw/zinc/34/38/45/180343845.db2.gz BTRXMHJPZLDBIA-VXGBXAGGSA-N 1 0 269.304 2.184 10 0 CEAERO CN(Cc1nc2ccccc2s1)C(=O)[C@H]1C=C[C@H]([NH3+])C1 ZINC000092204607 180343932 /nfs/dbraw/zinc/34/39/32/180343932.db2.gz ISKJDYXLLGUNKB-QWRGUYRKSA-N 1 0 287.388 2.158 10 0 CEAERO Cc1ccc([C@H](C)N(C)C(=O)[C@@H]2C=C[C@@H]([NH3+])C2)s1 ZINC000092205501 180344133 /nfs/dbraw/zinc/34/41/33/180344133.db2.gz VNVZUDAUGOPINW-QJPTWQEYSA-N 1 0 264.394 2.479 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)N2CCC3(CCCCC3)CC2)C1 ZINC000092207449 180344292 /nfs/dbraw/zinc/34/42/92/180344292.db2.gz CTIADAYEZFZKRY-UONOGXRCSA-N 1 0 262.397 2.463 10 0 CEAERO CCC1(CC)CCN(C(=O)[C@H]2C=C[C@@H]([NH3+])C2)CC1 ZINC000092207563 180344549 /nfs/dbraw/zinc/34/45/49/180344549.db2.gz LQTVLLWVUFVYQG-QWHCGFSZSA-N 1 0 250.386 2.319 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)N2CCCCc3ccccc32)C1 ZINC000092208453 180344588 /nfs/dbraw/zinc/34/45/88/180344588.db2.gz QRRAPHFKBSCXJB-KGLIPLIRSA-N 1 0 256.349 2.259 10 0 CEAERO CSc1ccc(C(=O)N2[C@H](C)C[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000092231721 180347846 /nfs/dbraw/zinc/34/78/46/180347846.db2.gz BUOXVNMSXLNWAW-QKCSRTOESA-N 1 0 276.405 2.231 10 0 CEAERO CCN(C(=O)[C@H]1CSc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000092239461 180350690 /nfs/dbraw/zinc/35/06/90/180350690.db2.gz ZQKQQOKBEROZPU-JSGCOSHPSA-N 1 0 290.432 2.476 10 0 CEAERO C[C@@H]1CC[C@@H](C[NH3+])CN1C(=O)[C@@H]1CSc2ccccc21 ZINC000092239578 180350829 /nfs/dbraw/zinc/35/08/29/180350829.db2.gz FESYHIHDVFCMOY-MBNYWOFBSA-N 1 0 290.432 2.462 10 0 CEAERO C[NH2+]C[C@@H]1CCCN1C[C@@H]1Cc2ccccc2S1 ZINC000092262892 180355153 /nfs/dbraw/zinc/35/51/53/180355153.db2.gz FHTZPEQRYBHPQY-KBPBESRZSA-N 1 0 262.422 2.387 10 0 CEAERO CC[N@@H+](CC(N)=S)C[C@H]1CSc2ccccc21 ZINC000092275954 180356686 /nfs/dbraw/zinc/35/66/86/180356686.db2.gz DBYPKAQLAIMGRJ-JTQLQIEISA-N 1 0 266.435 2.484 10 0 CEAERO CC(C)(C)[C@@H]1CN(C[C@@H]2COc3ccccc32)CC[NH2+]1 ZINC000092307225 180360490 /nfs/dbraw/zinc/36/04/90/180360490.db2.gz JFPJGIYMRLNKFO-CJNGLKHVSA-N 1 0 274.408 2.483 10 0 CEAERO C[NH2+]Cc1ccn(C[C@H]2CSc3ccccc32)n1 ZINC000092295453 180358571 /nfs/dbraw/zinc/35/85/71/180358571.db2.gz KXNVKZARHGVZGR-NSHDSACASA-N 1 0 259.378 2.492 10 0 CEAERO C[C@@H](CN1CCCC1)[NH2+]C[C@H]1COc2ccccc21 ZINC000092300084 180358632 /nfs/dbraw/zinc/35/86/32/180358632.db2.gz BRTLVWNQDACFBJ-KBPBESRZSA-N 1 0 260.381 2.237 10 0 CEAERO C[NH2+]Cc1ccnn1C[C@@H]1CSc2ccccc21 ZINC000092295431 180358634 /nfs/dbraw/zinc/35/86/34/180358634.db2.gz CBDMGOPEQKMYCR-LLVKDONJSA-N 1 0 259.378 2.492 10 0 CEAERO CC[NH2+]Cc1cn(C[C@@H]2CSc3ccccc32)nn1 ZINC000092297961 180358770 /nfs/dbraw/zinc/35/87/70/180358770.db2.gz WUHWIGFJMQANIS-LLVKDONJSA-N 1 0 274.393 2.277 10 0 CEAERO CC[N@H+](C[C@@H](C)C(N)=S)C[C@@H]1COc2ccccc21 ZINC000092301747 180359345 /nfs/dbraw/zinc/35/93/45/180359345.db2.gz GJSZEAFWWRNYKR-VXGBXAGGSA-N 1 0 278.421 2.407 10 0 CEAERO COc1ccc(OCC[NH2+]CCc2ccccn2)cc1 ZINC000105877566 186082072 /nfs/dbraw/zinc/08/20/72/186082072.db2.gz UFWQKGNRBAELNF-UHFFFAOYSA-N 1 0 272.348 2.301 10 0 CEAERO O[C@@H](C[NH+]1CCC(Nc2cccnn2)CC1)c1ccccc1 ZINC000105805168 186073285 /nfs/dbraw/zinc/07/32/85/186073285.db2.gz UWLSZRCQCAVMFE-INIZCTEOSA-N 1 0 298.390 2.087 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](c2nc(-c3ccc(F)c(F)c3)no2)C1 ZINC000092181480 180338148 /nfs/dbraw/zinc/33/81/48/180338148.db2.gz RBQZIBRZVZAJCB-BDAKNGLRSA-N 1 0 263.247 2.386 10 0 CEAERO Cc1cc(-c2noc([C@H]3C=C[C@H]([NH3+])C3)n2)cc(C)c1O ZINC000092182158 180338816 /nfs/dbraw/zinc/33/88/16/180338816.db2.gz QAHYXUVIQNLNME-JQWIXIFHSA-N 1 0 271.320 2.430 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](c2nc(CCc3ccccc3)no2)C1 ZINC000092181546 180339068 /nfs/dbraw/zinc/33/90/68/180339068.db2.gz RRTJKYJIDHEWPQ-CHWSQXEVSA-N 1 0 255.321 2.226 10 0 CEAERO CCOCC[N@@H+]1CCN(Cc2cnc(C)s2)C[C@@H]1CC ZINC000105838494 186077838 /nfs/dbraw/zinc/07/78/38/186077838.db2.gz PHWHVLSIKIZCQR-AWEZNQCLSA-N 1 0 297.468 2.384 10 0 CEAERO CCC[NH2+]CCc1c(CC)nc(COC)nc1CC ZINC000092318692 180361642 /nfs/dbraw/zinc/36/16/42/180361642.db2.gz LKDZPXLRYIUILZ-UHFFFAOYSA-N 1 0 265.401 2.290 10 0 CEAERO Cc1noc(C)c1[C@H](C)NC(=O)c1ccc(CC[NH3+])cc1 ZINC000092329494 180363699 /nfs/dbraw/zinc/36/36/99/180363699.db2.gz NZCSJSHWFMIDGQ-JTQLQIEISA-N 1 0 287.363 2.284 10 0 CEAERO Cc1noc(C)c1[C@H](C)NC(=O)CC[C@@H](C)CC[NH3+] ZINC000092329722 180363971 /nfs/dbraw/zinc/36/39/71/180363971.db2.gz WHLMBUZQJRORMZ-ZJUUUORDSA-N 1 0 267.373 2.234 10 0 CEAERO Cc1ccc(C)c(CN2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c1 ZINC000106100906 186102021 /nfs/dbraw/zinc/10/20/21/186102021.db2.gz YDMRFLJWRAILMR-HZPDHXFCSA-N 1 0 276.424 2.190 10 0 CEAERO COCCN1CC[N@@H+]([C@@H](C)c2ccccc2)C[C@H]1C ZINC000106110135 186103152 /nfs/dbraw/zinc/10/31/52/186103152.db2.gz KJSBMXYEYWIDLW-CABCVRRESA-N 1 0 262.397 2.400 10 0 CEAERO CC[NH2+][C@H]1CCCN([C@@H](C)c2c(C)noc2C)C1 ZINC000092342063 180365579 /nfs/dbraw/zinc/36/55/79/180365579.db2.gz PLVQEDPVXZDGKR-AAEUAGOBSA-N 1 0 251.374 2.426 10 0 CEAERO CC[C@@H](C)[C@H]1CN(Cc2c(C)noc2C)CC[NH2+]1 ZINC000092342594 180366032 /nfs/dbraw/zinc/36/60/32/180366032.db2.gz KFJXQEHSWUSMOX-QMTHXVAHSA-N 1 0 251.374 2.111 10 0 CEAERO CC[C@@H]1CSC(NCc2c(C)nn(C)c2C)=[NH+]1 ZINC000092341144 180366049 /nfs/dbraw/zinc/36/60/49/180366049.db2.gz XEKZZWUJENULPJ-SNVBAGLBSA-N 1 0 252.387 2.008 10 0 CEAERO CC[C@@H]1C[NH2+]C(C)(C)CN1Cc1c(C)noc1C ZINC000092342691 180366151 /nfs/dbraw/zinc/36/61/51/180366151.db2.gz ZXCFDUBLGPCORV-GFCCVEGCSA-N 1 0 251.374 2.254 10 0 CEAERO C[C@@H]1CCC[C@@H](C[NH3+])N1Cc1cccc(Cl)n1 ZINC000092366799 180368817 /nfs/dbraw/zinc/36/88/17/180368817.db2.gz DGFAZOLZRBBHRZ-PWSUYJOCSA-N 1 0 253.777 2.437 10 0 CEAERO c1ccc2c(CN3CC[NH2+]C[C@@H]3C3CC3)ccnc2c1 ZINC000092365612 180369302 /nfs/dbraw/zinc/36/93/02/180369302.db2.gz DSRQPSSMRXRVIZ-QGZVFWFLSA-N 1 0 267.376 2.419 10 0 CEAERO O=C(/C=C/c1cccs1)NCC[C@H]1CCC[NH2+]C1 ZINC000106365853 186110934 /nfs/dbraw/zinc/11/09/34/186110934.db2.gz ZBZAKWXKKOUDMB-BTDICHCPSA-N 1 0 264.394 2.267 10 0 CEAERO CCCNc1cccc(C[N@H+](C)[C@H](C)COC)n1 ZINC000092368832 180369623 /nfs/dbraw/zinc/36/96/23/180369623.db2.gz DUYBOLMVLLRGOS-GFCCVEGCSA-N 1 0 251.374 2.370 10 0 CEAERO CNc1cccc(C[N@H+](CCOC)[C@@H](C)C2CC2)n1 ZINC000092369477 180369926 /nfs/dbraw/zinc/36/99/26/180369926.db2.gz AWVMZESWPDMMJU-LBPRGKRZSA-N 1 0 263.385 2.370 10 0 CEAERO Cc1nc2ccccc2n1Cc1cccc(NN)[nH+]1 ZINC000092370846 180369929 /nfs/dbraw/zinc/36/99/29/180369929.db2.gz QAXQOPAARMAYHK-UHFFFAOYSA-N 1 0 253.309 2.074 10 0 CEAERO CCCS(=O)(=O)[C@@H]1CCc2ccc(OC)cc2[C@@H]1[NH2+]C ZINC000092388639 180374567 /nfs/dbraw/zinc/37/45/67/180374567.db2.gz SNIBXGUIECGBIV-CABCVRRESA-N 1 0 297.420 2.095 10 0 CEAERO COc1ccc2c(c1)[C@@](CCO)(C(C)(C)[NH3+])CCC2 ZINC000092390664 180375097 /nfs/dbraw/zinc/37/50/97/180375097.db2.gz UCCLSPJAFJKKJJ-MRXNPFEDSA-N 1 0 263.381 2.389 10 0 CEAERO CC(C)[C@H](CO)Nc1c(C[NH3+])cnc2ccccc21 ZINC000092391524 180375112 /nfs/dbraw/zinc/37/51/12/180375112.db2.gz SHHMWZPGOPQOQF-AWEZNQCLSA-N 1 0 259.353 2.122 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@@H]([S@](=O)C(C)C)CC2 ZINC000092388974 180375550 /nfs/dbraw/zinc/37/55/50/180375550.db2.gz IBJUZGKPIHROMN-DEYYWGMASA-N 1 0 267.394 2.167 10 0 CEAERO CC(C)=CCN1CCC([NH2+][C@H](CO)C(C)C)CC1 ZINC000092392425 180376138 /nfs/dbraw/zinc/37/61/38/180376138.db2.gz QKQPHTINCIYMNF-OAHLLOKOSA-N 1 0 254.418 2.024 10 0 CEAERO CC(C)[C@@H](CO)[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000092392912 180376241 /nfs/dbraw/zinc/37/62/41/180376241.db2.gz MIJKUSJGISLRIC-CQSZACIVSA-N 1 0 259.353 2.183 10 0 CEAERO COc1ccc([C@@H]2C[NH2+][C@@H](C(C)C)CO2)c(OC)c1 ZINC000092403143 180378354 /nfs/dbraw/zinc/37/83/54/180378354.db2.gz PNUWTSCFOMESGT-HIFRSBDPSA-N 1 0 265.353 2.389 10 0 CEAERO OCC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccn1 ZINC000092407034 180380019 /nfs/dbraw/zinc/38/00/19/180380019.db2.gz OVVRPFGYFJADDQ-ZDUSSCGKSA-N 1 0 254.761 2.472 10 0 CEAERO CCCNc1cc[nH+]c(CN2C(=O)N[C@H](CCC)C2=O)c1 ZINC000092419579 180381812 /nfs/dbraw/zinc/38/18/12/180381812.db2.gz UEBRERZSWABWNI-CYBMUJFWSA-N 1 0 290.367 2.124 10 0 CEAERO NNc1ccnc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC000092421072 180382058 /nfs/dbraw/zinc/38/20/58/180382058.db2.gz DEQMIDPSSADUKV-CQSZACIVSA-N 1 0 268.364 2.357 10 0 CEAERO CCCNc1cc[nH+]c(CN(C)CCCOC)c1 ZINC000092419089 180382073 /nfs/dbraw/zinc/38/20/73/180382073.db2.gz LIOJVPAUPADCBH-UHFFFAOYSA-N 1 0 251.374 2.372 10 0 CEAERO COc1cccc(C[NH3+])c1OCc1cccc(C)n1 ZINC000092427460 180383487 /nfs/dbraw/zinc/38/34/87/180383487.db2.gz MDAGBOYQNMDFCJ-UHFFFAOYSA-N 1 0 258.321 2.436 10 0 CEAERO CCCC[C@@H](C)[NH2+][C@H]1CC(=O)N(C(CC)CC)C1=O ZINC000106785128 186135983 /nfs/dbraw/zinc/13/59/83/186135983.db2.gz CGKKKVGSWKSQDM-YPMHNXCESA-N 1 0 268.401 2.471 10 0 CEAERO CCn1c(C)[nH+]c(-c2cc(OC)c(OC)cc2OC)c1N ZINC000106831046 186138308 /nfs/dbraw/zinc/13/83/08/186138308.db2.gz GMDNZFSDGUFGPZ-UHFFFAOYSA-N 1 0 291.351 2.486 10 0 CEAERO COc1ccc2c(c1)[C@](C[NH3+])(N(C)C1CC1)CCC2 ZINC000092384603 180373830 /nfs/dbraw/zinc/37/38/30/180373830.db2.gz POHJXKIGIPJETP-INIZCTEOSA-N 1 0 260.381 2.280 10 0 CEAERO CCC[C@@H](C(=O)N[C@@H](C)c1cccc(O)c1)[NH+](C)C ZINC000130625232 365975220 /nfs/dbraw/zinc/97/52/20/365975220.db2.gz USSXRKLKHRPWKJ-FZMZJTMJSA-N 1 0 264.369 2.300 10 0 CEAERO CCC[C@@H](C(=O)N[C@H](C)c1cccc(O)c1)[NH+](C)C ZINC000130625672 365975546 /nfs/dbraw/zinc/97/55/46/365975546.db2.gz USSXRKLKHRPWKJ-RISCZKNCSA-N 1 0 264.369 2.300 10 0 CEAERO C[C@@H](CO)C[NH2+]C[C@H](O)c1cc(Cl)ccc1Cl ZINC000109122404 186244503 /nfs/dbraw/zinc/24/45/03/186244503.db2.gz UJMLBPNMAFCAPO-PELKAZGASA-N 1 0 278.179 2.245 10 0 CEAERO COCC[N@H+](CC1(O)CCCCC1)[C@H](C)C1CC1 ZINC000109122225 186244652 /nfs/dbraw/zinc/24/46/52/186244652.db2.gz KVXYNKSZJXFCDM-CYBMUJFWSA-N 1 0 255.402 2.429 10 0 CEAERO CSC[C@@H](C)C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000108959176 186238316 /nfs/dbraw/zinc/23/83/16/186238316.db2.gz GDRIMGYSSLVHQX-TZMCWYRMSA-N 1 0 280.437 2.405 10 0 CEAERO CC[NH2+][C@H](C)[C@@H](CC)c1nc(-c2ncccn2)no1 ZINC000109505413 186257223 /nfs/dbraw/zinc/25/72/23/186257223.db2.gz BICAGNXHQUKRCF-NXEZZACHSA-N 1 0 261.329 2.018 10 0 CEAERO CCC[NH2+][C@H](C)[C@@H](CC)c1nc(-c2ncccn2)no1 ZINC000109505426 186257243 /nfs/dbraw/zinc/25/72/43/186257243.db2.gz XDSAEHKMMHCPKS-GHMZBOCLSA-N 1 0 275.356 2.408 10 0 CEAERO COc1cccc(-c2noc([C@@H]3CCC[C@@H]3[NH3+])n2)c1 ZINC000109503916 186257331 /nfs/dbraw/zinc/25/73/31/186257331.db2.gz MUXVDHBKRABIFA-NEPJUHHUSA-N 1 0 259.309 2.340 10 0 CEAERO C[NH2+][C@H](C)[C@@H](C)c1nc(-c2ccccc2OC)no1 ZINC000109503855 186257456 /nfs/dbraw/zinc/25/74/56/186257456.db2.gz PBQIUFLHMPFIPU-NXEZZACHSA-N 1 0 261.325 2.457 10 0 CEAERO C[NH2+][C@@H](Cc1nc(-c2ncccn2)no1)c1ccccc1 ZINC000109505393 186257851 /nfs/dbraw/zinc/25/78/51/186257851.db2.gz LLXMVYQZTACRQD-LBPRGKRZSA-N 1 0 281.319 2.030 10 0 CEAERO C[NH2+][C@H](C)CCc1nc(COc2ccccc2)no1 ZINC000109509481 186257963 /nfs/dbraw/zinc/25/79/63/186257963.db2.gz WVSQJYKDENNHGK-LLVKDONJSA-N 1 0 261.325 2.189 10 0 CEAERO COC[C@H]([NH3+])Cc1nc(-c2cccc3ccccc32)no1 ZINC000109510137 186258521 /nfs/dbraw/zinc/25/85/21/186258521.db2.gz AFAMTKDHWLLZNA-GFCCVEGCSA-N 1 0 283.331 2.406 10 0 CEAERO C[NH2+][C@@H](C)[C@H](C)c1nc(Cc2ccc(OC)cc2)no1 ZINC000109520892 186259072 /nfs/dbraw/zinc/25/90/72/186259072.db2.gz TWHQFVBMSJXBDA-QWRGUYRKSA-N 1 0 275.352 2.380 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1c1nc(Cc2ccccc2F)no1 ZINC000109516518 186259237 /nfs/dbraw/zinc/25/92/37/186259237.db2.gz KQRBJMFEBIGJFO-ZYHUDNBSSA-N 1 0 261.300 2.394 10 0 CEAERO CCC[NH2+][C@@H]1CCCC[C@@H]1c1nc(CCOC)no1 ZINC000109517104 186259432 /nfs/dbraw/zinc/25/94/32/186259432.db2.gz PSHUXVOXDPFDER-NWDGAFQWSA-N 1 0 267.373 2.284 10 0 CEAERO Cc1nc(Cc2nc3c(c(NN)[nH+]2)CCCCC3)cs1 ZINC000109522322 186259473 /nfs/dbraw/zinc/25/94/73/186259473.db2.gz CTBAIBJNVSIHJM-UHFFFAOYSA-N 1 0 289.408 2.387 10 0 CEAERO COc1cc(-c2nc(C3CC3)cc(NN)[nH+]2)ccc1O ZINC000109528195 186259965 /nfs/dbraw/zinc/25/99/65/186259965.db2.gz RWXCAQAOSRTAKI-UHFFFAOYSA-N 1 0 272.308 2.021 10 0 CEAERO c1ccc(CCN2CC[C@H]([NH2+][C@@H]3CCCOC3)C2)cc1 ZINC000109545964 186261949 /nfs/dbraw/zinc/26/19/49/186261949.db2.gz KNICGWURTWFITR-DLBZAZTESA-N 1 0 274.408 2.072 10 0 CEAERO COCCN(c1cccc(F)c1[C@H](C)[NH3+])[C@@H](C)COC ZINC000109570206 186263420 /nfs/dbraw/zinc/26/34/20/186263420.db2.gz NAEXJBYVXNEHQX-RYUDHWBXSA-N 1 0 284.375 2.333 10 0 CEAERO C[NH2+][C@H]1c2ccc(Oc3cccnc3)cc2NC1=O ZINC000109575654 186264070 /nfs/dbraw/zinc/26/40/70/186264070.db2.gz VFLKSNUTPBAZPH-ZDUSSCGKSA-N 1 0 255.277 2.087 10 0 CEAERO C[N@@H+]1CCC[C@@H](Nc2cc(C(=O)[O-])nc3ccccc32)C1 ZINC000109587819 186264248 /nfs/dbraw/zinc/26/42/48/186264248.db2.gz GQVNRZLYTZZZQD-LLVKDONJSA-N 1 0 285.347 2.439 10 0 CEAERO CC[NH2+]Cc1cc(N(C)CCOC)c2ccccc2n1 ZINC000109589253 186264789 /nfs/dbraw/zinc/26/47/89/186264789.db2.gz WWLVVSYBSTXORZ-UHFFFAOYSA-N 1 0 273.380 2.427 10 0 CEAERO CCc1nccn1-c1cc(C[NH3+])nc2ccccc21 ZINC000109589812 186264838 /nfs/dbraw/zinc/26/48/38/186264838.db2.gz HUZLEIKTLSSTDC-UHFFFAOYSA-N 1 0 252.321 2.442 10 0 CEAERO CC(C)[NH2+]Cc1cc(-n2cncn2)c2ccccc2n1 ZINC000109589686 186265332 /nfs/dbraw/zinc/26/53/32/186265332.db2.gz PXKUANSVQUDUCT-UHFFFAOYSA-N 1 0 267.336 2.314 10 0 CEAERO COC(=O)c1ccccc1N(C)[C@H](CC[NH3+])C(F)(F)F ZINC000109603895 186268179 /nfs/dbraw/zinc/26/81/79/186268179.db2.gz WDZFUARSIUGTSW-LLVKDONJSA-N 1 0 290.285 2.189 10 0 CEAERO CCc1cc(N2CC[C@H]([NH+](C)C)C2)nc(-c2ccncc2)n1 ZINC000109319605 186247807 /nfs/dbraw/zinc/24/78/07/186247807.db2.gz MQMUVUSYOUYTFV-HNNXBMFYSA-N 1 0 297.406 2.241 10 0 CEAERO CCCC1CCC([NH2+]CCc2nncn2C)CC1 ZINC000109421640 186251142 /nfs/dbraw/zinc/25/11/42/186251142.db2.gz HDHBNAMOTHALRP-UHFFFAOYSA-N 1 0 250.390 2.306 10 0 CEAERO CCCCCC(=O)N1CC[NH+]([C@@H](CCC)C(N)=S)CC1 ZINC000109464336 186253727 /nfs/dbraw/zinc/25/37/27/186253727.db2.gz LBNDYWRBOJYVPH-ZDUSSCGKSA-N 1 0 299.484 2.166 10 0 CEAERO CCC[C@@H](C[NH3+])N1CCN(Cc2cccc(F)c2)CC1 ZINC000109462829 186254306 /nfs/dbraw/zinc/25/43/06/186254306.db2.gz XBZCULGRWKAFAE-INIZCTEOSA-N 1 0 279.403 2.071 10 0 CEAERO CC[C@@H](C(N)=S)[NH+]1CCN(Cc2ccccc2F)CC1 ZINC000109469547 186254350 /nfs/dbraw/zinc/25/43/50/186254350.db2.gz FCPQWQSHIQZNDA-AWEZNQCLSA-N 1 0 295.427 2.008 10 0 CEAERO Cc1cc(C(C)(C)C)nc(C(C)(C)N2CC[NH2+]CC2)n1 ZINC000109476263 186254955 /nfs/dbraw/zinc/25/49/55/186254955.db2.gz BNYGHEAFHIBGEH-UHFFFAOYSA-N 1 0 276.428 2.223 10 0 CEAERO C[C@H](c1nc2c(s1)C[C@@H](C)CC2)N1CC[NH2+]CC1 ZINC000109472168 186255322 /nfs/dbraw/zinc/25/53/22/186255322.db2.gz MWTFEEGPXWEDHN-WDEREUQCSA-N 1 0 265.426 2.234 10 0 CEAERO C[C@H]([NH3+])C1CCN(C(=O)c2c[nH]c3ccccc23)CC1 ZINC000110647161 186310426 /nfs/dbraw/zinc/31/04/26/186310426.db2.gz ILPYTEJQOBFJMG-NSHDSACASA-N 1 0 271.364 2.367 10 0 CEAERO CC[NH2+][C@@H](CC)[C@@H](C)c1nc(-c2cnccn2)no1 ZINC000110470105 186298312 /nfs/dbraw/zinc/29/83/12/186298312.db2.gz PUEGDTOZEDJHLE-ZJUUUORDSA-N 1 0 261.329 2.018 10 0 CEAERO Cc1cccc(-c2noc(CC[NH2+]C(C)(C)C)n2)n1 ZINC000110473267 186298491 /nfs/dbraw/zinc/29/84/91/186298491.db2.gz XJNFWUZATFPGQW-UHFFFAOYSA-N 1 0 260.341 2.371 10 0 CEAERO CCC[C@@H]([NH2+]CC)c1ccc2c(c1)C(=O)N(C)C(=O)C2 ZINC000110512657 186300459 /nfs/dbraw/zinc/30/04/59/186300459.db2.gz CIFMSNULHIDUPM-CQSZACIVSA-N 1 0 274.364 2.292 10 0 CEAERO CC[C@H]([NH3+])[C@H](O[C@@H]1CCOC1)c1ccc(OC)cc1 ZINC000110525801 186300869 /nfs/dbraw/zinc/30/08/69/186300869.db2.gz SXONPPFREXHFFP-QLFBSQMISA-N 1 0 265.353 2.279 10 0 CEAERO CC[C@H]([NH3+])[C@@H](O[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000110525582 186300951 /nfs/dbraw/zinc/30/09/51/186300951.db2.gz XLOKIHWMIVNVOD-RDBSUJKOSA-N 1 0 253.317 2.410 10 0 CEAERO CC(C)(C)[NH2+]Cc1ccc(O[C@@H]2CCOC2)nc1 ZINC000110532472 186301630 /nfs/dbraw/zinc/30/16/30/186301630.db2.gz ZAJIDIAHVJDEEV-GFCCVEGCSA-N 1 0 250.342 2.137 10 0 CEAERO CC[NH2+]C[C@@H](O[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000110529641 186302246 /nfs/dbraw/zinc/30/22/46/186302246.db2.gz ODKJQGSQWHDLOS-ZIAGYGMSSA-N 1 0 253.317 2.282 10 0 CEAERO [NH3+][C@H]1CCCCC[C@@H]1NC(=O)[C@@H]1COc2ccccc2C1 ZINC000110540628 186302530 /nfs/dbraw/zinc/30/25/30/186302530.db2.gz RMFQQSNACQUNMA-KKUMJFAQSA-N 1 0 288.391 2.014 10 0 CEAERO CCC1CCN(C(=O)Cc2ccc(C[NH3+])cc2)CC1 ZINC000110612484 186304949 /nfs/dbraw/zinc/30/49/49/186304949.db2.gz DJLIBEQLPLYABP-UHFFFAOYSA-N 1 0 260.381 2.336 10 0 CEAERO [NH3+]Cc1ccc(CC(=O)Nc2nc3ccccc3[nH]2)cc1 ZINC000110614588 186305063 /nfs/dbraw/zinc/30/50/63/186305063.db2.gz FVSOTFNVCBTCJG-UHFFFAOYSA-N 1 0 280.331 2.203 10 0 CEAERO CC(C)Oc1cccc(C(=O)NCC[C@@H]2CC[NH2+]C2)c1 ZINC000110794952 186325221 /nfs/dbraw/zinc/32/52/21/186325221.db2.gz VJPYREKIVPWJEJ-ZDUSSCGKSA-N 1 0 276.380 2.203 10 0 CEAERO CCCN[C@](C)(C[N@H+](C)CC1CCCC1)C(=O)OC ZINC000110840941 186328471 /nfs/dbraw/zinc/32/84/71/186328471.db2.gz SMJOMQJHGAJHDS-OAHLLOKOSA-N 1 0 270.417 2.040 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1cnn(C)c1)N(C)CC1CCCC1 ZINC000110832413 186328523 /nfs/dbraw/zinc/32/85/23/186328523.db2.gz BATBPFXVHRWESF-GJZGRUSLSA-N 1 0 264.417 2.321 10 0 CEAERO C[C@@H](NC(=O)C[NH2+]C(C)(C)C)c1cccc(F)c1 ZINC000110838381 186329028 /nfs/dbraw/zinc/32/90/28/186329028.db2.gz MFHBUABLBGWKJY-SNVBAGLBSA-N 1 0 252.333 2.391 10 0 CEAERO C[C@@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)N(C)CC1CCCC1 ZINC000110848223 186329505 /nfs/dbraw/zinc/32/95/05/186329505.db2.gz SFBJQEORFFTXDE-XBFCOCLRSA-N 1 0 252.402 2.399 10 0 CEAERO CN(Cc1ccc(-n2cccn2)cc1)[C@H]1CCC[NH2+]C1 ZINC000110928677 186333072 /nfs/dbraw/zinc/33/30/72/186333072.db2.gz YHSISHPECGDJHK-INIZCTEOSA-N 1 0 270.380 2.056 10 0 CEAERO CN(CCOc1cccc(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000110930905 186333235 /nfs/dbraw/zinc/33/32/35/186333235.db2.gz YKAFOFPAEZMPCJ-CYBMUJFWSA-N 1 0 268.788 2.403 10 0 CEAERO CN(Cc1nnc(-c2ccc(F)cc2)o1)[C@H]1CCC[NH2+]C1 ZINC000110931479 186333440 /nfs/dbraw/zinc/33/34/40/186333440.db2.gz JUJYYJJQAWLMFP-ZDUSSCGKSA-N 1 0 290.342 2.060 10 0 CEAERO CN(C(=O)Cc1ccccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000110927461 186333887 /nfs/dbraw/zinc/33/38/87/186333887.db2.gz GTEHEIAVPDZUDS-LBPRGKRZSA-N 1 0 266.772 2.093 10 0 CEAERO CCN(C(=O)c1cccn1C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000110940060 186334821 /nfs/dbraw/zinc/33/48/21/186334821.db2.gz QXRNTGRCUNDORC-CYBMUJFWSA-N 1 0 261.369 2.037 10 0 CEAERO CCCN(C(=O)c1ccc(C)nc1C)[C@H]1CCC[NH2+]C1 ZINC000110940818 186334829 /nfs/dbraw/zinc/33/48/29/186334829.db2.gz SBQCCLWLDVBQCY-AWEZNQCLSA-N 1 0 275.396 2.303 10 0 CEAERO CCCN(C(=O)Cc1ccsc1)[C@H]1CCC[NH2+]C1 ZINC000110940916 186334895 /nfs/dbraw/zinc/33/48/95/186334895.db2.gz WNMIOOWFXLITJD-ZDUSSCGKSA-N 1 0 266.410 2.281 10 0 CEAERO CCN(Cc1nc(-c2ccsc2)no1)[C@H]1CCC[NH2+]C1 ZINC000110943543 186335272 /nfs/dbraw/zinc/33/52/72/186335272.db2.gz JDBBSLYWHVKMII-LBPRGKRZSA-N 1 0 292.408 2.372 10 0 CEAERO CCN(Cc1noc(-c2ccsc2)n1)[C@H]1CCC[NH2+]C1 ZINC000110944828 186335836 /nfs/dbraw/zinc/33/58/36/186335836.db2.gz QLJZYEVEHNERDJ-LBPRGKRZSA-N 1 0 292.408 2.372 10 0 CEAERO CCN(CC(=O)Nc1ccc(C)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000110943485 186335849 /nfs/dbraw/zinc/33/58/49/186335849.db2.gz QUCIHTCMYZOWDY-CQSZACIVSA-N 1 0 293.386 2.147 10 0 CEAERO CCOC(=O)[C@H](C)Oc1cc(C)ccc1[C@H](C)[NH3+] ZINC000110958089 186336198 /nfs/dbraw/zinc/33/61/98/186336198.db2.gz FCXHLODVHMSHTE-QWRGUYRKSA-N 1 0 251.326 2.345 10 0 CEAERO COC(=O)CCCOc1cc(C)ccc1[C@H](C)[NH3+] ZINC000110958590 186336730 /nfs/dbraw/zinc/33/67/30/186336730.db2.gz VQPCCIMIBSMYSW-NSHDSACASA-N 1 0 251.326 2.347 10 0 CEAERO C[NH2+][C@H](C)c1ccc(C)cc1O[C@@H]1CCCCNC1=O ZINC000110959951 186337143 /nfs/dbraw/zinc/33/71/43/186337143.db2.gz REKVFULCJJBSNV-TZMCWYRMSA-N 1 0 276.380 2.323 10 0 CEAERO CC(C)CCN(C(=O)c1cc[nH+]c(NN)c1)C1CC1 ZINC000110969506 186337628 /nfs/dbraw/zinc/33/76/28/186337628.db2.gz QEVHTCBCELDRKW-UHFFFAOYSA-N 1 0 262.357 2.018 10 0 CEAERO C[C@@H]1CN(c2nc3ccc(N)cc3s2)CC[N@@H+]1C ZINC000110709001 186315663 /nfs/dbraw/zinc/31/56/63/186315663.db2.gz RWVWPOJLBDMYFW-SECBINFHSA-N 1 0 262.382 2.019 10 0 CEAERO CC[N@@H+]1CCN(Cc2cc([C@@H](C)O)ccc2OC)C[C@@H]1C ZINC000110735718 186317091 /nfs/dbraw/zinc/31/70/91/186317091.db2.gz SHCNIQQXPNFSCU-UONOGXRCSA-N 1 0 292.423 2.275 10 0 CEAERO C[C@H]1CCC(=O)[C@H](C[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC000110744126 186318382 /nfs/dbraw/zinc/31/83/82/186318382.db2.gz MICCIVTXSXIZMG-STQMWFEESA-N 1 0 252.402 2.018 10 0 CEAERO CNc1nc2ccccc2cc1CN1CC[N@H+](C)[C@@H](C)C1 ZINC000110742179 186319353 /nfs/dbraw/zinc/31/93/53/186319353.db2.gz YSKMIEFLXGKDJI-ZDUSSCGKSA-N 1 0 284.407 2.412 10 0 CEAERO C[C@@H]1CN(Cc2ccc3c(c2)CCCN3)CC[N@@H+]1C ZINC000110762436 186322459 /nfs/dbraw/zinc/32/24/59/186322459.db2.gz CMXXFWOOBLPKSE-CYBMUJFWSA-N 1 0 259.397 2.181 10 0 CEAERO C[C@H](O)c1ccc(NC(=O)N2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000110770222 186323367 /nfs/dbraw/zinc/32/33/67/186323367.db2.gz MGKMFDOKXGFJOA-LBPRGKRZSA-N 1 0 291.395 2.298 10 0 CEAERO Cc1cc2c(ncnc2NC[C@H]2CCC[NH2+]C2)s1 ZINC000110779257 186323940 /nfs/dbraw/zinc/32/39/40/186323940.db2.gz CFOTXKGQMXUNOF-JTQLQIEISA-N 1 0 262.382 2.411 10 0 CEAERO NC(=O)c1c(Cl)cccc1NCC[C@@H]1CCC[NH2+]C1 ZINC000110793492 186325017 /nfs/dbraw/zinc/32/50/17/186325017.db2.gz HUXWOEOYIGZISO-JTQLQIEISA-N 1 0 281.787 2.241 10 0 CEAERO CCOc1cc(N2CCC[N@@H+]3CCC[C@@H]3C2)ccc1N ZINC000111056139 186348935 /nfs/dbraw/zinc/34/89/35/186348935.db2.gz LCBISZMVOMCYLV-CQSZACIVSA-N 1 0 275.396 2.342 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(C(=O)c2c(N)cccc2Cl)CC1 ZINC000111012581 186343231 /nfs/dbraw/zinc/34/32/31/186343231.db2.gz MBPMJGODHUVMND-LLVKDONJSA-N 1 0 295.814 2.479 10 0 CEAERO NC(=[NH2+])c1cc(F)ccc1Sc1nnc2ccccn21 ZINC000111035680 186346527 /nfs/dbraw/zinc/34/65/27/186346527.db2.gz BLJVPUGZKKCXKO-UHFFFAOYSA-N 1 0 287.323 2.304 10 0 CEAERO [NH3+]C[C@@H](Cc1cccc(F)c1F)C(=O)N1CCCCCC1 ZINC000111037575 186346868 /nfs/dbraw/zinc/34/68/68/186346868.db2.gz IYFDTHXKXLSESF-CYBMUJFWSA-N 1 0 296.361 2.485 10 0 CEAERO CC[C@@H](C)N(CCOC)c1ccc(F)cc1C(N)=[NH2+] ZINC000111034322 186347004 /nfs/dbraw/zinc/34/70/04/186347004.db2.gz HRNHUFXLGYTKFH-SNVBAGLBSA-N 1 0 267.348 2.361 10 0 CEAERO CN(C[C@H]1CCCOC1)[C@@H](C[NH3+])c1cccs1 ZINC000111154802 186360497 /nfs/dbraw/zinc/36/04/97/186360497.db2.gz QZGAGPLUSZUKAG-NEPJUHHUSA-N 1 0 254.399 2.106 10 0 CEAERO Cc1ccc([C@H](CN)[N@H+](C)C[C@@H]2CCCOC2)s1 ZINC000111154426 186360948 /nfs/dbraw/zinc/36/09/48/186360948.db2.gz HQUHGFHPNAHALY-STQMWFEESA-N 1 0 268.426 2.415 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccncc1)N(C)CC1CCOCC1 ZINC000111156029 186361566 /nfs/dbraw/zinc/36/15/66/186361566.db2.gz NECANTIMDPTNJT-CVEARBPZSA-N 1 0 277.412 2.218 10 0 CEAERO C[N@@H+](Cc1nc2cc(N)ccc2[nH]1)CC1CCOCC1 ZINC000111156407 186361626 /nfs/dbraw/zinc/36/16/26/186361626.db2.gz BDBZGNGJKKSYDV-UHFFFAOYSA-N 1 0 274.368 2.004 10 0 CEAERO COc1cccc([C@H](CN)[N@H+](C)CC2CCOCC2)c1 ZINC000111156614 186361663 /nfs/dbraw/zinc/36/16/63/186361663.db2.gz IYMRZGGGRMPWCT-INIZCTEOSA-N 1 0 278.396 2.053 10 0 CEAERO C[N@H+](CC1CCOCC1)[C@H](CN)C1CCCCC1 ZINC000111159292 186362508 /nfs/dbraw/zinc/36/25/08/186362508.db2.gz UZFIBJCHXIROTB-OAHLLOKOSA-N 1 0 254.418 2.252 10 0 CEAERO CC[C@@H]1CC[C@H](N)[C@H]([N@H+](C)C[C@@H]2CCCOC2)C1 ZINC000111160747 186362619 /nfs/dbraw/zinc/36/26/19/186362619.db2.gz KCSNOCQQHYWDLR-CBBWQLFWSA-N 1 0 254.418 2.251 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccco1)N(C)CC1CCOCC1 ZINC000111155873 186362903 /nfs/dbraw/zinc/36/29/03/186362903.db2.gz FCOZQLWLSNATLR-DZGCQCFKSA-N 1 0 266.385 2.416 10 0 CEAERO CN(C[C@H]1CCCOC1)[C@@H](C[NH3+])c1cc(F)ccc1F ZINC000111158229 186362946 /nfs/dbraw/zinc/36/29/46/186362946.db2.gz OLCGRFYNKULWCF-ABAIWWIYSA-N 1 0 284.350 2.323 10 0 CEAERO CN(CC1CCOCC1)[C@@H](C[NH3+])c1ccc(F)cc1F ZINC000111160194 186363140 /nfs/dbraw/zinc/36/31/40/186363140.db2.gz ARZLNANFWZIVCY-HNNXBMFYSA-N 1 0 284.350 2.323 10 0 CEAERO CC(C)C[C@H]([NH3+])C(=O)N(C)C[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000111088883 186351754 /nfs/dbraw/zinc/35/17/54/186351754.db2.gz GILXPWOHZGNQCF-CRWXNKLISA-N 1 0 252.402 2.254 10 0 CEAERO CCOCCN(CC)C[C@H]([NH3+])c1ccc(C)cc1 ZINC000111118219 186354312 /nfs/dbraw/zinc/35/43/12/186354312.db2.gz NOLQTRGIDWDZLG-HNNXBMFYSA-N 1 0 250.386 2.353 10 0 CEAERO CCOCCN(CC)c1cccc(C[NH2+]C(C)C)n1 ZINC000111123479 186354839 /nfs/dbraw/zinc/35/48/39/186354839.db2.gz WTNZJRYFMHNSOC-UHFFFAOYSA-N 1 0 265.401 2.442 10 0 CEAERO CN(CC[NH+](C)C)CC(=O)c1cc2ccccc2o1 ZINC000111139818 186357265 /nfs/dbraw/zinc/35/72/65/186357265.db2.gz SBVAWFMRTGRWAZ-UHFFFAOYSA-N 1 0 260.337 2.109 10 0 CEAERO CN(CCC[NH+](C)C)c1ccc(C(N)=S)c(Cl)c1 ZINC000111139002 186357432 /nfs/dbraw/zinc/35/74/32/186357432.db2.gz BKHCVVOXVBSUFF-UHFFFAOYSA-N 1 0 285.844 2.362 10 0 CEAERO CN(CCC[NH+](C)C)c1cc(CO)c2ccccc2n1 ZINC000111141459 186358290 /nfs/dbraw/zinc/35/82/90/186358290.db2.gz DJVWGCIZSOIPSP-UHFFFAOYSA-N 1 0 273.380 2.115 10 0 CEAERO CC[C@@H](N)[C@H]([N@H+](C)CC1CCOCC1)C(C)(C)C ZINC000111155426 186359922 /nfs/dbraw/zinc/35/99/22/186359922.db2.gz OLSBOLUZOPHLGV-KGLIPLIRSA-N 1 0 256.434 2.497 10 0 CEAERO C[N@@H+](Cc1nc2sccc2c(N)n1)C[C@H]1CCCOC1 ZINC000111170676 186365746 /nfs/dbraw/zinc/36/57/46/186365746.db2.gz MBDJCECMTKRUEY-SNVBAGLBSA-N 1 0 292.408 2.132 10 0 CEAERO CN(C)c1nnc(SCC[NH2+]CC2CCCC2)s1 ZINC000111317180 186395526 /nfs/dbraw/zinc/39/55/26/186395526.db2.gz WXSMOSHYJSRPBC-UHFFFAOYSA-N 1 0 286.470 2.476 10 0 CEAERO COCC[NH2+][C@@H](c1nc2c(s1)CCC2)[C@H]1CCCOC1 ZINC000111322361 186396889 /nfs/dbraw/zinc/39/68/89/186396889.db2.gz PPHKAWXWDQZDMB-SMDDNHRTSA-N 1 0 296.436 2.336 10 0 CEAERO CN(c1ccccc1F)[C@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111321114 186397105 /nfs/dbraw/zinc/39/71/05/186397105.db2.gz QXIZIPBWXKYEFU-BXUZGUMPSA-N 1 0 252.333 2.016 10 0 CEAERO C[NH2+]C[C@]1(CN(C)c2ccc(F)cc2)CCCOC1 ZINC000111327004 186399081 /nfs/dbraw/zinc/39/90/81/186399081.db2.gz CBUWVCGXIGFOBS-HNNXBMFYSA-N 1 0 266.360 2.278 10 0 CEAERO C[NH2+]C[C@]1(CN(C)Cc2cccc(OC)c2)CCCOC1 ZINC000111328745 186399376 /nfs/dbraw/zinc/39/93/76/186399376.db2.gz HSJHCFCBKOTXRG-KRWDZBQOSA-N 1 0 292.423 2.143 10 0 CEAERO Cc1nn(C)c(N2CCc3sccc3[C@@H]2C)c1C(N)=[NH2+] ZINC000111358555 186404891 /nfs/dbraw/zinc/40/48/91/186404891.db2.gz AWWKBGJDOXOATN-VIFPVBQESA-N 1 0 289.408 2.198 10 0 CEAERO COc1ccccc1NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111242869 186374563 /nfs/dbraw/zinc/37/45/63/186374563.db2.gz SWCXRNGHYZFXGS-GFCCVEGCSA-N 1 0 288.269 2.176 10 0 CEAERO COc1ccccc1[C@@H](C[NH3+])N(C)CC1CCOCC1 ZINC000111239104 186374781 /nfs/dbraw/zinc/37/47/81/186374781.db2.gz RGYBTXPTFVHPDC-OAHLLOKOSA-N 1 0 278.396 2.053 10 0 CEAERO Cc1cccc([C@H](CN)[N@H+](C)C[C@@H]2CCCOC2)c1 ZINC000111239100 186374797 /nfs/dbraw/zinc/37/47/97/186374797.db2.gz WBKVHYZWZCDELG-HOCLYGCPSA-N 1 0 262.397 2.353 10 0 CEAERO O=C(N[C@H]1CCc2ccccc21)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111244089 186375774 /nfs/dbraw/zinc/37/57/74/186375774.db2.gz DMUWFVJSIARGFM-GXTWGEPZSA-N 1 0 298.308 2.332 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1c1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000111256545 186379450 /nfs/dbraw/zinc/37/94/50/186379450.db2.gz IFZDYVLCMWREEO-SVRRBLITSA-N 1 0 283.253 2.477 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)OCc1ccccc1Cl ZINC000111257494 186379704 /nfs/dbraw/zinc/37/97/04/186379704.db2.gz XQCUJIHEPJREGP-ONGXEEELSA-N 1 0 253.729 2.239 10 0 CEAERO CSc1ccccc1NC(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000111265111 186381704 /nfs/dbraw/zinc/38/17/04/186381704.db2.gz IYCKVIREANAENN-VHSXEESVSA-N 1 0 250.367 2.203 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000111263890 186381965 /nfs/dbraw/zinc/38/19/65/186381965.db2.gz PKSAXEAXZHRZGC-PBHICJAKSA-N 1 0 286.419 2.323 10 0 CEAERO CCCOc1ccccc1NC(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000111265060 186382080 /nfs/dbraw/zinc/38/20/80/186382080.db2.gz SUDCJFQHACPKTI-NEPJUHHUSA-N 1 0 262.353 2.269 10 0 CEAERO CCN(Cc1cccc(F)c1)C(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000111268180 186382353 /nfs/dbraw/zinc/38/23/53/186382353.db2.gz HTQRQKYDEFISLQ-FZMZJTMJSA-N 1 0 264.344 2.030 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)N(C)CCOc1cccc(Cl)c1 ZINC000111268331 186383881 /nfs/dbraw/zinc/38/38/81/186383881.db2.gz MENIKLOKCBHHQK-SMDDNHRTSA-N 1 0 296.798 2.033 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)N(C)Cc1nc2ccccc2s1 ZINC000111268261 186384487 /nfs/dbraw/zinc/38/44/87/186384487.db2.gz QPDJEXGRQDZNJW-WDEREUQCSA-N 1 0 289.404 2.110 10 0 CEAERO C[C@H](NC(=O)c1ccc(C[NH3+])cn1)C1CCCCC1 ZINC000111282325 186388582 /nfs/dbraw/zinc/38/85/82/186388582.db2.gz XMBRJEYJCYTVKB-NSHDSACASA-N 1 0 261.369 2.239 10 0 CEAERO C[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc(C[NH3+])cn1 ZINC000111282019 186389111 /nfs/dbraw/zinc/38/91/11/186389111.db2.gz GMFKWSNXGPCYGE-BXUZGUMPSA-N 1 0 261.369 2.191 10 0 CEAERO [NH3+]Cc1ccc(C(=O)Nc2ccc3ncccc3c2)nc1 ZINC000111282345 186390028 /nfs/dbraw/zinc/39/00/28/186390028.db2.gz SJLLEKUPIHAHTL-UHFFFAOYSA-N 1 0 278.315 2.341 10 0 CEAERO CC[C@@H]([NH3+])CNC(=O)c1cc(Cl)cn1C(C)C ZINC000111303861 186394000 /nfs/dbraw/zinc/39/40/00/186394000.db2.gz TWLFBFUYLUSWMV-SNVBAGLBSA-N 1 0 257.765 2.190 10 0 CEAERO COCCSc1c(CC[NH3+])c(C)nn1-c1ccccc1 ZINC000111584295 186429804 /nfs/dbraw/zinc/42/98/04/186429804.db2.gz HVZPNQJXHBZMJU-UHFFFAOYSA-N 1 0 291.420 2.420 10 0 CEAERO Cc1ncsc1CN(C)[C@H]([C@@H](C)[NH3+])C(F)(F)F ZINC000111665404 186438911 /nfs/dbraw/zinc/43/89/11/186438911.db2.gz PQCSHZHETVROEX-HZGVNTEJSA-N 1 0 267.320 2.161 10 0 CEAERO CCCCOC(=O)CN1CCC[C@H](C[NH2+]CCC)C1 ZINC000111698785 186446749 /nfs/dbraw/zinc/44/67/49/186446749.db2.gz QDVQCGKRLMDNEJ-CQSZACIVSA-N 1 0 270.417 2.041 10 0 CEAERO [NH3+]Cc1cccc(CNc2ncc(Br)cn2)c1 ZINC000111750850 186452896 /nfs/dbraw/zinc/45/28/96/186452896.db2.gz IBGGXFPNXPSDGU-UHFFFAOYSA-N 1 0 293.168 2.310 10 0 CEAERO CC(C)C[C@@H](C[NH3+])NC(=O)c1c[nH]c2ccccc12 ZINC000111828786 186461029 /nfs/dbraw/zinc/46/10/29/186461029.db2.gz IDASNEBVENRRNL-NSHDSACASA-N 1 0 259.353 2.271 10 0 CEAERO CCOC(=O)c1cccnc1N[C@H](C[NH3+])CC(C)C ZINC000111830602 186461407 /nfs/dbraw/zinc/46/14/07/186461407.db2.gz LEALWQAVCHSANZ-NSHDSACASA-N 1 0 265.357 2.044 10 0 CEAERO CCCCN(CC[NH3+])C(=O)Cc1cc(C)ccc1C ZINC000111362755 186406085 /nfs/dbraw/zinc/40/60/85/186406085.db2.gz FMJOUDFDMBZUAT-UHFFFAOYSA-N 1 0 262.397 2.433 10 0 CEAERO CCC[NH2+]CC1CCN(c2cc(OCC)ncn2)CC1 ZINC000090784586 535157702 /nfs/dbraw/zinc/15/77/02/535157702.db2.gz ROZDGQJFJCUEGR-UHFFFAOYSA-N 1 0 278.400 2.091 10 0 CEAERO CN(C)c1ncc(C[NH2+][C@H]2CCc3ccccc32)n1C ZINC000070142795 363034971 /nfs/dbraw/zinc/03/49/71/363034971.db2.gz PAULXYDMHNWWLQ-HNNXBMFYSA-N 1 0 270.380 2.263 10 0 CEAERO C[C@@H]1CC[C@H](NC(=O)[C@H]([NH3+])Cc2ccccc2)[C@H](C)C1 ZINC000070114771 363032484 /nfs/dbraw/zinc/03/24/84/363032484.db2.gz YPJZSNCJSVZWCG-XOUADPBQSA-N 1 0 274.408 2.497 10 0 CEAERO Cn1nc(C(F)(F)F)cc1-c1ncc(C[NH3+])s1 ZINC000629721892 351486931 /nfs/dbraw/zinc/48/69/31/351486931.db2.gz GPPZTKUCCQMEFS-UHFFFAOYSA-N 1 0 262.260 2.021 10 0 CEAERO C[C@H]([NH3+])[C@@H]1CCCN(c2ncnc3ccsc32)C1 ZINC000070175117 363048905 /nfs/dbraw/zinc/04/89/05/363048905.db2.gz YSPFNQMZMGFTRO-VHSXEESVSA-N 1 0 262.382 2.255 10 0 CEAERO CCCCN(CC(F)(F)F)C(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000111268980 282763748 /nfs/dbraw/zinc/76/37/48/282763748.db2.gz ZLOCBJZHKQQUIG-VHSXEESVSA-N 1 0 266.307 2.033 10 0 CEAERO CC(C)OC[C@@H](O)C[N@H+](Cc1ccsc1)C1CC1 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1 0 287.473 2.158 10 0 CEAERO CCc1nc2n(n1)C[C@@H]([NH2+]C[C@@H]1CC=CCC1)CC2 ZINC000122342952 187027737 /nfs/dbraw/zinc/02/77/37/187027737.db2.gz WVYATUUTHXFAMN-OLZOCXBDSA-N 1 0 260.385 2.101 10 0 CEAERO CCc1nccn1[C@H]1CCC[N@@H+](Cc2cnn(CC)c2)C1 ZINC000122856760 187056103 /nfs/dbraw/zinc/05/61/03/187056103.db2.gz DVBNTDSDOLTXSM-HNNXBMFYSA-N 1 0 287.411 2.499 10 0 CEAERO CCc1nccn1[C@H]1CCC[N@H+](Cc2c[nH]nc2C)C1 ZINC000122957254 187062409 /nfs/dbraw/zinc/06/24/09/187062409.db2.gz OKQWCQCKXPKCDX-AWEZNQCLSA-N 1 0 273.384 2.314 10 0 CEAERO Cc1nc2c(s1)[C@H]([NH2+]C[C@@H](C)N1CCOCC1)CCC2 ZINC000123460806 187093631 /nfs/dbraw/zinc/09/36/31/187093631.db2.gz BENRCTRPEBYFNS-DGCLKSJQSA-N 1 0 295.452 2.139 10 0 CEAERO CC[C@@H](O)C[NH+]1CCN(Cc2ccc(C)c(C)c2)CC1 ZINC000123573478 187099241 /nfs/dbraw/zinc/09/92/41/187099241.db2.gz ZKROFGLQOSYKRI-QGZVFWFLSA-N 1 0 276.424 2.192 10 0 CEAERO CCc1nc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)sc1C ZINC000070577808 363099532 /nfs/dbraw/zinc/09/95/32/363099532.db2.gz MXCQUKGGZPMRMV-UWVGGRQHSA-N 1 0 267.398 2.470 10 0 CEAERO COc1ccc(Br)c2c1C[NH2+][C@@H](C)C2 ZINC000070653039 363102157 /nfs/dbraw/zinc/10/21/57/363102157.db2.gz LUACTYRFSJGIJR-ZETCQYMHSA-N 1 0 256.143 2.492 10 0 CEAERO CCC1CCC(NC(=O)c2ccc(C[NH3+])o2)CC1 ZINC000094570679 539882575 /nfs/dbraw/zinc/88/25/75/539882575.db2.gz ZHRFDIUVNCVACW-UHFFFAOYSA-N 1 0 250.342 2.437 10 0 CEAERO C[C@H](NC(=O)CC1([NH3+])CCC1)c1cc(F)ccc1F ZINC000094293737 539874356 /nfs/dbraw/zinc/87/43/56/539874356.db2.gz LVACOGSEGJSJBW-VIFPVBQESA-N 1 0 268.307 2.414 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@H]([NH3+])C(C)C)cc1F ZINC000094956478 539888335 /nfs/dbraw/zinc/88/83/35/539888335.db2.gz OJEMFLFGZGKTAY-GXFFZTMASA-N 1 0 252.333 2.295 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCC[NH2+]2)cc1F ZINC000094956565 539888344 /nfs/dbraw/zinc/88/83/44/539888344.db2.gz KBSONPLWBFACHM-BXUZGUMPSA-N 1 0 264.344 2.453 10 0 CEAERO CN(CCC1CC1)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000153971415 188114692 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CC(C)[N@H+]1C[C@H](NC(=O)COc2ccc(F)cc2)[C@@H](C)C1 ZINC000155332692 188198936 /nfs/dbraw/zinc/19/89/36/188198936.db2.gz RIOLAAGYPLMTOO-WFASDCNBSA-N 1 0 294.370 2.049 10 0 CEAERO Cc1noc2ncnc(N[C@H](C[NH3+])C3CCCCC3)c12 ZINC000155861308 539988831 /nfs/dbraw/zinc/98/88/31/539988831.db2.gz JUTAULVPXBTISF-LLVKDONJSA-N 1 0 275.356 2.246 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@H](C)Cc1ccsc1 ZINC000251840794 539992425 /nfs/dbraw/zinc/99/24/25/539992425.db2.gz LKUIICNVPWYEEJ-HOSYDEDBSA-N 1 0 254.399 2.169 10 0 CEAERO CCC[C@@H](C(=O)NCc1ccc(OC)cc1)[NH+](C)C ZINC000156787353 188281486 /nfs/dbraw/zinc/28/14/86/188281486.db2.gz MLWHSKMLHIFLIB-AWEZNQCLSA-N 1 0 264.369 2.042 10 0 CEAERO FC(F)(F)c1ccc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000261580880 282920894 /nfs/dbraw/zinc/92/08/94/282920894.db2.gz FSASLCUAFDRPDH-ZJUUUORDSA-N 1 0 271.286 2.146 10 0 CEAERO FC(F)(F)c1cnc(NC2C[NH2+]C2)c(Cl)c1 ZINC000085256596 282931630 /nfs/dbraw/zinc/93/16/30/282931630.db2.gz MYQZKAQVNJGYBX-UHFFFAOYSA-N 1 0 251.639 2.138 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)/C=C/c1cncc(C)c1 ZINC000132058422 366113985 /nfs/dbraw/zinc/11/39/85/366113985.db2.gz OQCDBNSEGGJXSV-WAVCKPEOSA-N 1 0 287.407 2.346 10 0 CEAERO O[C@@H]1CCCC[C@H]1[C@H]1CCC[N@@H+]1CCOCC1CC1 ZINC000337278003 366121510 /nfs/dbraw/zinc/12/15/10/366121510.db2.gz FXWNRIUAHVGPAY-ARFHVFGLSA-N 1 0 267.413 2.429 10 0 CEAERO Cc1cnn([C@@H]2CCCN(CC[NH+]3CCCCC3)C2)c1 ZINC000132295409 366133749 /nfs/dbraw/zinc/13/37/49/366133749.db2.gz OGQQRJLTLJEQAC-MRXNPFEDSA-N 1 0 276.428 2.314 10 0 CEAERO COCCC1(CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CCCC1 ZINC000161980104 188553547 /nfs/dbraw/zinc/55/35/47/188553547.db2.gz KECPDQQNVXNJMR-KGLIPLIRSA-N 1 0 282.428 2.217 10 0 CEAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1sccc1Cl ZINC000163030349 188597768 /nfs/dbraw/zinc/59/77/68/188597768.db2.gz CWFBDULAJCMTLI-JVHMLUBASA-N 1 0 270.785 2.414 10 0 CEAERO COc1cc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)sn1 ZINC000401107880 540076125 /nfs/dbraw/zinc/07/61/25/540076125.db2.gz JBNQNLHMATZDDI-FZMZJTMJSA-N 1 0 282.409 2.279 10 0 CEAERO CC(C)O[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@H](O)C2)C1 ZINC000404511241 540123753 /nfs/dbraw/zinc/12/37/53/540123753.db2.gz DAUXWBJINATMQH-QLFBSQMISA-N 1 0 255.402 2.427 10 0 CEAERO CC(C)[NH2+]CC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000037822459 540180730 /nfs/dbraw/zinc/18/07/30/540180730.db2.gz IDERLDWMUGLZRR-AWEZNQCLSA-N 1 0 296.798 2.238 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1cscn1 ZINC000175023773 188929398 /nfs/dbraw/zinc/92/93/98/188929398.db2.gz KYDMUHFFHKPUNU-UONOGXRCSA-N 1 0 293.436 2.161 10 0 CEAERO CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@H](C)N1CCOCC1 ZINC000133966423 366272249 /nfs/dbraw/zinc/27/22/49/366272249.db2.gz ITMHHWAFVDIMIM-ARFHVFGLSA-N 1 0 266.429 2.289 10 0 CEAERO C[C@H](C[C@@H]1CCCC[NH2+]1)N1C(=O)c2ccccc2C1=O ZINC000575479019 366291581 /nfs/dbraw/zinc/29/15/81/366291581.db2.gz LNUFOIVDRGCXNT-NEPJUHHUSA-N 1 0 272.348 2.203 10 0 CEAERO COc1c(CNCc2ccccc2OC)c(C)nn1C ZINC000134081751 366285188 /nfs/dbraw/zinc/28/51/88/366285188.db2.gz SCVBNACNDMBPIK-UHFFFAOYSA-N 1 0 275.352 2.036 10 0 CEAERO [NH3+][C@H]1COC[C@@H]1Cc1ccsc1Br ZINC000575530683 366292484 /nfs/dbraw/zinc/29/24/84/366292484.db2.gz KAZPXBBLQCRFDO-YUMQZZPRSA-N 1 0 262.172 2.027 10 0 CEAERO [NH3+][C@]1(Cc2coc(Br)c2)CCSC1 ZINC000575566316 366295849 /nfs/dbraw/zinc/29/58/49/366295849.db2.gz TWPYXZUTEFHVOE-VIFPVBQESA-N 1 0 262.172 2.419 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CCCCC(=O)N2)CC1 ZINC000328813544 202067912 /nfs/dbraw/zinc/06/79/12/202067912.db2.gz NFRWZWHODYAJRB-UONOGXRCSA-N 1 0 295.427 2.218 10 0 CEAERO C[C@@H]1C[C@@H]1NC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000075979490 363505002 /nfs/dbraw/zinc/50/50/02/363505002.db2.gz JVXFSKCREVWEDM-CJNGLKHVSA-N 1 0 287.407 2.142 10 0 CEAERO C[C@H]1C[C@@H]1NC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000075979491 363505139 /nfs/dbraw/zinc/50/51/39/363505139.db2.gz JVXFSKCREVWEDM-BBRMVZONSA-N 1 0 287.407 2.142 10 0 CEAERO CC[C@H]1C[N@H+](C[C@@H](O)COCc2ccccc2)CCS1 ZINC000076072716 363517877 /nfs/dbraw/zinc/51/78/77/363517877.db2.gz IEPZOKOYBGRBSV-CVEARBPZSA-N 1 0 295.448 2.392 10 0 CEAERO CCCN(CCC)C(=O)CN1C[C@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000175045720 283203116 /nfs/dbraw/zinc/20/31/16/283203116.db2.gz CBVIYTHDKCMCDA-JKSUJKDBSA-N 1 0 295.471 2.194 10 0 CEAERO COc1ncc([C@@H]2[NH2+]CCc3ccsc32)s1 ZINC000712541966 538752497 /nfs/dbraw/zinc/75/24/97/538752497.db2.gz HKULCLCQGRWFCX-VIFPVBQESA-N 1 0 252.364 2.448 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@@H](C)C(C)C ZINC000079122291 363580652 /nfs/dbraw/zinc/58/06/52/363580652.db2.gz DIQSQADQQLYHRL-QWHCGFSZSA-N 1 0 257.422 2.306 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]([NH3+])CCC[C@@H]2C1 ZINC000238115061 538831138 /nfs/dbraw/zinc/83/11/38/538831138.db2.gz VIKVXDCBECSADD-WOPDTQHZSA-N 1 0 254.374 2.371 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N[C@@H](C)c1nc2ccccc2[nH]1 ZINC000165391045 540300145 /nfs/dbraw/zinc/30/01/45/540300145.db2.gz DNLRJKFVBZZKEA-GBIKHYSHSA-N 1 0 274.368 2.114 10 0 CEAERO [NH3+]C1(CC(=O)N2CCCC[C@H]2c2nccs2)CCC1 ZINC000167107335 540378670 /nfs/dbraw/zinc/37/86/70/540378670.db2.gz GAPBFIQTUTWBOH-NSHDSACASA-N 1 0 279.409 2.468 10 0 CEAERO C[C@H]1OCC[C@H]1[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000496462308 291141720 /nfs/dbraw/zinc/14/17/20/291141720.db2.gz PZHUKNDGIJYBLB-MGPQQGTHSA-N 1 0 298.427 2.401 10 0 CEAERO COc1cc(NC(=O)[C@]2(C)CCC[NH2+]2)c(OC)cc1Cl ZINC000079510256 363611871 /nfs/dbraw/zinc/61/18/71/363611871.db2.gz OFNWAACIOKZSAJ-AWEZNQCLSA-N 1 0 298.770 2.438 10 0 CEAERO Cc1ccc(OCCN(C)C(=O)[C@@]2(C)CCCC[NH2+]2)cc1 ZINC000136149263 366498707 /nfs/dbraw/zinc/49/87/07/366498707.db2.gz HQUKXFZOXHVZCI-QGZVFWFLSA-N 1 0 290.407 2.364 10 0 CEAERO C[C@](CO)([NH2+]C[C@@H]1CCC[C@@H](O)C1)c1ccccc1 ZINC000311828696 540457892 /nfs/dbraw/zinc/45/78/92/540457892.db2.gz OSYCAFPDJHRDMT-FVQBIDKESA-N 1 0 263.381 2.035 10 0 CEAERO CCNC(=O)C[C@H](C[NH3+])c1ccc(Br)s1 ZINC000685948111 540639832 /nfs/dbraw/zinc/63/98/32/540639832.db2.gz XYBWTQHPLWPPJI-SSDOTTSWSA-N 1 0 291.214 2.079 10 0 CEAERO Cc1nc(C(Cl)(Cl)Cl)nc(C)c1C[NH3+] ZINC000685956207 540651669 /nfs/dbraw/zinc/65/16/69/540651669.db2.gz NWYGLMVQKFFRCN-UHFFFAOYSA-N 1 0 254.548 2.379 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc2c(c1)CCC2 ZINC000061883331 283478314 /nfs/dbraw/zinc/47/83/14/283478314.db2.gz PDSSMSAXGANCDR-GJZGRUSLSA-N 1 0 258.365 2.033 10 0 CEAERO CC(C)(C)OC(=O)NC[C@@H](C[NH3+])c1ccccc1 ZINC000144589587 366570787 /nfs/dbraw/zinc/57/07/87/366570787.db2.gz AAOSGEAIEZTGKP-GFCCVEGCSA-N 1 0 250.342 2.254 10 0 CEAERO C[C@@H](NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1F ZINC000151271259 366634637 /nfs/dbraw/zinc/63/46/37/366634637.db2.gz QHZYRIFLHWIVDE-TZMCWYRMSA-N 1 0 298.377 2.462 10 0 CEAERO C[C@H](NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(F)c1 ZINC000151325392 366639368 /nfs/dbraw/zinc/63/93/68/366639368.db2.gz QTMXPIUBFOVSJS-XJKSGUPXSA-N 1 0 280.387 2.323 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)CCCc2ccc(F)c(F)c2)C1 ZINC000151427204 366643262 /nfs/dbraw/zinc/64/32/62/366643262.db2.gz CUDOGXFLEZEMKB-CYBMUJFWSA-N 1 0 296.361 2.450 10 0 CEAERO C[NH+](C)C[C@@H](NC(=O)C[C@H]1CCCCO1)c1ccccc1 ZINC000151845095 366669341 /nfs/dbraw/zinc/66/93/41/366669341.db2.gz RDYRIXCXUJJIBX-HZPDHXFCSA-N 1 0 290.407 2.365 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cccc(COC)c1 ZINC000176987576 189019076 /nfs/dbraw/zinc/01/90/76/189019076.db2.gz GBOGGYPFBJPXKD-MRXNPFEDSA-N 1 0 290.407 2.389 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cnc2ccccc2n1 ZINC000177019048 189021452 /nfs/dbraw/zinc/02/14/52/189021452.db2.gz NMZXBAOLQZURQS-CYBMUJFWSA-N 1 0 298.390 2.186 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(C(C)=O)cc1 ZINC000177027045 189021746 /nfs/dbraw/zinc/02/17/46/189021746.db2.gz JTMBTAXUXOFXHB-MRXNPFEDSA-N 1 0 288.391 2.446 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1scnc1C ZINC000177027812 189022119 /nfs/dbraw/zinc/02/21/19/189022119.db2.gz AQUNVTARTQTVNK-LLVKDONJSA-N 1 0 267.398 2.008 10 0 CEAERO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)C[C@@H]1N1CCOCC1 ZINC000177250026 189039748 /nfs/dbraw/zinc/03/97/48/189039748.db2.gz MIBOMQOAFJIEFF-CJNGLKHVSA-N 1 0 294.826 2.493 10 0 CEAERO O[C@@H](CN1CC[N@@H+]2CCCC[C@@H]2C1)c1cc(F)ccc1F ZINC000177779321 189069393 /nfs/dbraw/zinc/06/93/93/189069393.db2.gz WPLJFZCWOLBTJC-CJNGLKHVSA-N 1 0 296.361 2.168 10 0 CEAERO CC(C)(C)OCCCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000674908898 540796503 /nfs/dbraw/zinc/79/65/03/540796503.db2.gz IJHVJHCFLDNGFQ-CQSZACIVSA-N 1 0 254.418 2.362 10 0 CEAERO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCc3ccc(F)cc32)C1 ZINC000226329839 283580735 /nfs/dbraw/zinc/58/07/35/283580735.db2.gz QVQRXHTZKDQZBC-WCQYABFASA-N 1 0 262.328 2.232 10 0 CEAERO CC[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1cc(F)ccc1F ZINC000180489000 189258508 /nfs/dbraw/zinc/25/85/08/189258508.db2.gz RZYJOKHYBIWKTQ-WFASDCNBSA-N 1 0 284.350 2.336 10 0 CEAERO c1nc2n(n1)C[C@H]([NH2+][C@@H]1CCSc3ccccc31)CC2 ZINC000180579262 189262925 /nfs/dbraw/zinc/26/29/25/189262925.db2.gz CYWDOHVLOZZGNK-DGCLKSJQSA-N 1 0 286.404 2.420 10 0 CEAERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)CC2CC2)ncn1 ZINC000180578123 189263181 /nfs/dbraw/zinc/26/31/81/189263181.db2.gz JJLWDPMJIZLJJB-TZMCWYRMSA-N 1 0 289.427 2.265 10 0 CEAERO Cc1cccc(C[C@@H]([NH2+]C[C@H]2CN(C)CCO2)C2CC2)c1 ZINC000180500985 189259453 /nfs/dbraw/zinc/25/94/53/189259453.db2.gz YGKILQYTIPKJBR-ZWKOTPCHSA-N 1 0 288.435 2.236 10 0 CEAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H](C)c1ccccn1)CC2 ZINC000180505013 189259467 /nfs/dbraw/zinc/25/94/67/189259467.db2.gz CDGCGAQYDQBHPM-CHWSQXEVSA-N 1 0 285.395 2.462 10 0 CEAERO [NH3+]CCCCNC(=O)CCCc1nc2ccccc2s1 ZINC000181070564 189287834 /nfs/dbraw/zinc/28/78/34/189287834.db2.gz OYBZAPGBIZEZRL-UHFFFAOYSA-N 1 0 291.420 2.474 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)c2cccc(Cl)c2F)C1 ZINC000152148321 366691671 /nfs/dbraw/zinc/69/16/71/366691671.db2.gz VWMCXSONLLWOSC-VIFPVBQESA-N 1 0 270.735 2.255 10 0 CEAERO c1cncc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)c1 ZINC000152574335 366704651 /nfs/dbraw/zinc/70/46/51/366704651.db2.gz RJHVPNDSHKXFOO-HNNXBMFYSA-N 1 0 255.321 2.130 10 0 CEAERO Cc1ccc(CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000181535914 189299745 /nfs/dbraw/zinc/29/97/45/189299745.db2.gz DGVFMQLSUYPMES-MRXNPFEDSA-N 1 0 274.408 2.480 10 0 CEAERO CCOc1cc(C)ccc1CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000237040554 370683387 /nfs/dbraw/zinc/68/33/87/370683387.db2.gz PWZZBCVZBGDOPK-TZMCWYRMSA-N 1 0 276.380 2.137 10 0 CEAERO O[C@H](c1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC000011630785 361360703 /nfs/dbraw/zinc/36/07/03/361360703.db2.gz YSNFKZYOYZHMOG-GFCCVEGCSA-N 1 0 270.170 2.482 10 0 CEAERO COc1c(C[N@H+](C)C[C@H](C)c2nccs2)c(C)nn1C ZINC000183256384 189352185 /nfs/dbraw/zinc/35/21/85/189352185.db2.gz MWJQXFBYOJLLOU-JTQLQIEISA-N 1 0 294.424 2.429 10 0 CEAERO C[C@H]([N@H+](C)Cc1cn(Cc2cccnc2)nn1)C1(C)CC1 ZINC000183122861 189347280 /nfs/dbraw/zinc/34/72/80/189347280.db2.gz MPQZGFXYHLLIEX-ZDUSSCGKSA-N 1 0 285.395 2.342 10 0 CEAERO C[C@@H]1CC[C@@H](C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)O1 ZINC000155036967 366805106 /nfs/dbraw/zinc/80/51/06/366805106.db2.gz TVCNONRVSKOFPT-ABAIWWIYSA-N 1 0 294.370 2.071 10 0 CEAERO CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@@H]1[C@@H](C)[NH3+] ZINC000013760486 361442199 /nfs/dbraw/zinc/44/21/99/361442199.db2.gz JZWQQSJMOZMVFS-XPKDYRNWSA-N 1 0 260.381 2.160 10 0 CEAERO O=C(CN1CC[N@@H+]2CCC[C@@H]2C1)Nc1cccc(Cl)c1 ZINC000023249607 361596221 /nfs/dbraw/zinc/59/62/21/361596221.db2.gz JOGUAGZZKRAUCJ-CQSZACIVSA-N 1 0 293.798 2.059 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H](C)CC2CCCC2)C1 ZINC000679031140 541207279 /nfs/dbraw/zinc/20/72/79/541207279.db2.gz DNWWNFNXCQOFKD-DZGCQCFKSA-N 1 0 254.418 2.266 10 0 CEAERO Oc1ccc2c(c1)[C@@H](O)C[N@H+](Cc1ccccc1)C2 ZINC000031274339 361710188 /nfs/dbraw/zinc/71/01/88/361710188.db2.gz ZIDUVPCAVFIGND-INIZCTEOSA-N 1 0 255.317 2.441 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H](c2cccc(Br)c2)O1 ZINC000032108963 361727239 /nfs/dbraw/zinc/72/72/39/361727239.db2.gz QBQFLRSLORLINS-LDYMZIIASA-N 1 0 256.143 2.499 10 0 CEAERO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000186828307 189453145 /nfs/dbraw/zinc/45/31/45/189453145.db2.gz RKWSBQWWAWPLHY-QCEMKRCNSA-N 1 0 272.392 2.213 10 0 CEAERO C[C@H]([NH3+])CCNCc1sccc1Br ZINC000087575913 363860898 /nfs/dbraw/zinc/86/08/98/363860898.db2.gz OFNNJOAMMCRWQQ-ZETCQYMHSA-N 1 0 263.204 2.338 10 0 CEAERO Cc1cc(Br)cnc1NC[C@@H]([NH3+])C1CC1 ZINC000086709872 363838553 /nfs/dbraw/zinc/83/85/53/363838553.db2.gz MZRHLJINWSKODV-SNVBAGLBSA-N 1 0 270.174 2.302 10 0 CEAERO Cc1cc(Br)cnc1NC[C@H](C)C[NH3+] ZINC000086709881 363838676 /nfs/dbraw/zinc/83/86/76/363838676.db2.gz SXFWJZROZXTSES-SSDOTTSWSA-N 1 0 258.163 2.159 10 0 CEAERO [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000087769831 363869770 /nfs/dbraw/zinc/86/97/70/363869770.db2.gz RNHDSWCNCNGIJO-ARFHVFGLSA-N 1 0 272.392 2.348 10 0 CEAERO CN1CCO[C@H](C[NH2+]Cc2cc(Cl)ccc2Cl)C1 ZINC000088077796 363876144 /nfs/dbraw/zinc/87/61/44/363876144.db2.gz IJKDUYQSXXZQOD-GFCCVEGCSA-N 1 0 289.206 2.414 10 0 CEAERO [NH3+][C@H]1CCC[C@@H](C(=O)NCC(C2CC2)C2CC2)C1 ZINC000088456999 363897989 /nfs/dbraw/zinc/89/79/89/363897989.db2.gz YURSPJMJSUWTJS-OLZOCXBDSA-N 1 0 250.386 2.056 10 0 CEAERO CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1ncc[nH]1 ZINC000089150755 363938607 /nfs/dbraw/zinc/93/86/07/363938607.db2.gz RDAFCEWLMYZHQT-VXGBXAGGSA-N 1 0 294.399 2.193 10 0 CEAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000089160838 363940822 /nfs/dbraw/zinc/94/08/22/363940822.db2.gz GCAVFDPUMHDBEB-GDBMZVCRSA-N 1 0 271.364 2.123 10 0 CEAERO Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCC[C@H]2O)o1 ZINC000089164627 363943564 /nfs/dbraw/zinc/94/35/64/363943564.db2.gz DNHHGUJWOSPZMD-DGCLKSJQSA-N 1 0 275.352 2.229 10 0 CEAERO [NH3+]C[C@@H](Oc1cccc2nccn21)c1ccccc1 ZINC000089201243 363948331 /nfs/dbraw/zinc/94/83/31/363948331.db2.gz DMBYJYFTYFSPKF-CYBMUJFWSA-N 1 0 253.305 2.413 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cccs1 ZINC000092677485 364095963 /nfs/dbraw/zinc/09/59/63/364095963.db2.gz YCKVTRKHUGOFRA-LLVKDONJSA-N 1 0 252.383 2.304 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCCC2(CC2)CC1 ZINC000638755726 370726545 /nfs/dbraw/zinc/72/65/45/370726545.db2.gz FSWOAASTAWALDI-STQMWFEESA-N 1 0 250.386 2.154 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)N1CCCC2(CC2)CC1 ZINC000638757145 370728020 /nfs/dbraw/zinc/72/80/20/370728020.db2.gz SRQFBJCWDNGHNT-CYBMUJFWSA-N 1 0 250.386 2.169 10 0 CEAERO Cc1nc(C(C)(C)NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)sc1C ZINC000237598667 370736316 /nfs/dbraw/zinc/73/63/16/370736316.db2.gz CDQTVTBJMVAQKW-GHMZBOCLSA-N 1 0 281.425 2.239 10 0 CEAERO Cc1c(C[NH2+]CCCn2cnc3ccccc32)cnn1C ZINC000093649304 364208335 /nfs/dbraw/zinc/20/83/35/364208335.db2.gz DTKJTJMTYMCPFU-UHFFFAOYSA-N 1 0 283.379 2.258 10 0 CEAERO O[C@H](CN1CC[N@@H+]2CCC[C@@H]2C1)c1cc2ccccc2o1 ZINC000094464020 364275466 /nfs/dbraw/zinc/27/54/66/364275466.db2.gz OYICYUWTXINQBW-HUUCEWRRSA-N 1 0 286.375 2.246 10 0 CEAERO C[C@H]1C[NH2+]CCN1c1nc2ccccc2nc1NC1CC1 ZINC000095069588 364330004 /nfs/dbraw/zinc/33/00/04/364330004.db2.gz RAGBGZCCYDMZOX-NSHDSACASA-N 1 0 283.379 2.002 10 0 CEAERO CCOc1nc2ccccc2nc1OC1CC[NH2+]CC1 ZINC000095069727 364330060 /nfs/dbraw/zinc/33/00/60/364330060.db2.gz BRCUTEJIQXTEKL-UHFFFAOYSA-N 1 0 273.336 2.159 10 0 CEAERO CNc1nc2ccccc2nc1NC[C@H]1CCC[NH2+]C1 ZINC000095071392 364330981 /nfs/dbraw/zinc/33/09/81/364330981.db2.gz OCJHYZHBRJXXOQ-NSHDSACASA-N 1 0 271.368 2.083 10 0 CEAERO CN(c1nc2ccccc2nc1Cl)[C@H]1CC[NH2+]C1 ZINC000095070587 364331132 /nfs/dbraw/zinc/33/11/32/364331132.db2.gz UOKSABVOXJCLPZ-VIFPVBQESA-N 1 0 262.744 2.081 10 0 CEAERO COc1nc2ccccc2nc1N(C)CC1CC[NH2+]CC1 ZINC000095071675 364332321 /nfs/dbraw/zinc/33/23/21/364332321.db2.gz ZWHGUVUVOPCBHS-UHFFFAOYSA-N 1 0 286.379 2.074 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1c1cccc(Br)n1 ZINC000095072410 364332359 /nfs/dbraw/zinc/33/23/59/364332359.db2.gz ZCHMRNLQHQXQLJ-VIFPVBQESA-N 1 0 270.174 2.162 10 0 CEAERO Cc1[nH+]c2ccc(F)cc2c(N2CCO[C@H](CO)C2)c1C ZINC000095944335 364394042 /nfs/dbraw/zinc/39/40/42/364394042.db2.gz OZBRTBOADXQZGE-ZDUSSCGKSA-N 1 0 290.338 2.188 10 0 CEAERO CCc1cc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)[nH]n1 ZINC000097218559 364481357 /nfs/dbraw/zinc/48/13/57/364481357.db2.gz SRISMHPTVGOIGY-OAHLLOKOSA-N 1 0 286.379 2.005 10 0 CEAERO [NH3+]Cc1ccc(I)c(Cl)c1 ZINC000098096525 364532159 /nfs/dbraw/zinc/53/21/59/364532159.db2.gz QXRYQONEGXBAFG-UHFFFAOYSA-N 1 0 267.497 2.403 10 0 CEAERO C[C@H]1CC[NH2+]C[C@H]1Nc1ncccc1Br ZINC000335655429 212373621 /nfs/dbraw/zinc/37/36/21/212373621.db2.gz CPKFXJKKZAEYSO-WCBMZHEXSA-N 1 0 270.174 2.254 10 0 CEAERO COC[C@H](C)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000103359453 364643275 /nfs/dbraw/zinc/64/32/75/364643275.db2.gz GBEJLHYZTYGAKH-UONOGXRCSA-N 1 0 294.395 2.205 10 0 CEAERO COC[C@@H](C)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000103433229 364653120 /nfs/dbraw/zinc/65/31/20/364653120.db2.gz QLJCEXAWEFSODP-HZPDHXFCSA-N 1 0 296.455 2.239 10 0 CEAERO c1ccc(CC[N@@H+]2CC[C@H](CNc3ccccn3)C2)nc1 ZINC000103473842 364658354 /nfs/dbraw/zinc/65/83/54/364658354.db2.gz ICBTZAHMOOWCGY-OAHLLOKOSA-N 1 0 282.391 2.453 10 0 CEAERO 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NUMDVXMCNDREIW-QWRGUYRKSA-N 1 0 291.351 2.006 10 0 CEAERO O=C1CC[C@H]([NH2+]C[C@@H]2CCC[C@H]2O)c2ccccc2N1 ZINC000333285858 205185161 /nfs/dbraw/zinc/18/51/61/205185161.db2.gz YXNDDNVCKOGDOA-CORIIIEPSA-N 1 0 274.364 2.211 10 0 CEAERO [NH3+]C1(c2noc([C@H]3CCc4c[nH]nc4C3)n2)CCCCC1 ZINC000333463002 205343502 /nfs/dbraw/zinc/34/35/02/205343502.db2.gz GWHVBPUTOKOCLD-JTQLQIEISA-N 1 0 287.367 2.183 10 0 CEAERO C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2C[C@@H](C)[C@H]([NH3+])C2)o1 ZINC000643600319 373210797 /nfs/dbraw/zinc/21/07/97/373210797.db2.gz HOCDHQQWXHIJKQ-HBJVGIJOSA-N 1 0 276.380 2.141 10 0 CEAERO CCc1cc(NC(=O)[C@@]2(COC)CCC[NH2+]2)ccc1C ZINC000643779120 373266283 /nfs/dbraw/zinc/26/62/83/373266283.db2.gz QVKZTECOKAMACN-INIZCTEOSA-N 1 0 276.380 2.265 10 0 CEAERO Cc1ccc2c(CC(=O)NC[C@H]3CC[NH2+]C3)coc2c1 ZINC000644109407 373412692 /nfs/dbraw/zinc/41/26/92/373412692.db2.gz YWLXIRADGUMNRM-LBPRGKRZSA-N 1 0 272.348 2.009 10 0 CEAERO O=C(N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C(F)F ZINC000373314755 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CCn1nc(C)c([C@@H](C)[NH2+]CC2([S@@](C)=O)CCC2)c1C ZINC000393705229 375325860 /nfs/dbraw/zinc/32/58/60/375325860.db2.gz KAYJSUKDQLOLNQ-BIBXISHDSA-N 1 0 297.468 2.472 10 0 CEAERO CC[C@H]([NH2+][C@@H]1CCN(CC)C1)c1ccc(F)cn1 ZINC000389240904 375300494 /nfs/dbraw/zinc/30/04/94/375300494.db2.gz KTGHOWVQPKFUBI-OLZOCXBDSA-N 1 0 251.349 2.356 10 0 CEAERO CCN1CC[C@@H]([NH2+][C@@H](C)Cc2ccc(OC)cc2)C1 ZINC000389283181 375301144 /nfs/dbraw/zinc/30/11/44/375301144.db2.gz VDFCIVXBIWBCCW-DZGCQCFKSA-N 1 0 262.397 2.310 10 0 CEAERO CC[N@@H+]1CC[C@H](N[C@H](C)c2nc3ccccc3n2C)C1 ZINC000389268515 375302334 /nfs/dbraw/zinc/30/23/34/375302334.db2.gz QLDXUOGIUWJGAD-OLZOCXBDSA-N 1 0 272.396 2.318 10 0 CEAERO CCCCOC[C@H](O)C[NH2+]C[C@H]1CCCC1(F)F ZINC000390856365 375315931 /nfs/dbraw/zinc/31/59/31/375315931.db2.gz KOWXQPGMTLQQNO-VXGBXAGGSA-N 1 0 265.344 2.189 10 0 CEAERO CN(Cc1ccccc1)C1(C[NH2+]CC(C)(C)O)CCC1 ZINC000386729690 375265829 /nfs/dbraw/zinc/26/58/29/375265829.db2.gz AWRSZHMKZZRXCR-UHFFFAOYSA-N 1 0 276.424 2.402 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@H](C[NH3+])[C@@H]1c1cccnc1 ZINC000396153470 375335187 /nfs/dbraw/zinc/33/51/87/375335187.db2.gz CFEYMEPCXVSBOI-DGCLKSJQSA-N 1 0 277.368 2.338 10 0 CEAERO O=C1CC[C@H]([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CCN1 ZINC000396750280 375338336 /nfs/dbraw/zinc/33/83/36/375338336.db2.gz QYQGVTYSWAFPKV-DCAQKATOSA-N 1 0 278.318 2.366 10 0 CEAERO Brc1cccc2c1CC[C@H]2NCc1cn[nH]n1 ZINC000398293524 375347873 /nfs/dbraw/zinc/34/78/73/375347873.db2.gz CDYAUCMZJMUNPJ-GFCCVEGCSA-N 1 0 293.168 2.344 10 0 CEAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000282264346 375442575 /nfs/dbraw/zinc/44/25/75/375442575.db2.gz HGDWKAULCNOXFQ-MWLCHTKSSA-N 1 0 281.425 2.197 10 0 CEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cccc(C(F)F)c1 ZINC000282268429 375443969 /nfs/dbraw/zinc/44/39/69/375443969.db2.gz HMKIADANPLWETF-CABZTGNLSA-N 1 0 268.307 2.381 10 0 CEAERO COc1ccccc1[C@H](C)[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000282290743 375448672 /nfs/dbraw/zinc/44/86/72/375448672.db2.gz LRJWBJJUAQPUOA-LOWVWBTDSA-N 1 0 262.353 2.013 10 0 CEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1CCSc2ccccc21 ZINC000282507655 375501366 /nfs/dbraw/zinc/50/13/66/375501366.db2.gz YPNXEUGDBJVSJM-CYZMBNFOSA-N 1 0 276.405 2.480 10 0 CEAERO COc1ccc(Cl)cc1C[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000282524228 375507313 /nfs/dbraw/zinc/50/73/13/375507313.db2.gz YMFBWTVSYNFLME-SKDRFNHKSA-N 1 0 282.771 2.105 10 0 CEAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)c1c(F)cccc1F ZINC000282535865 375510159 /nfs/dbraw/zinc/51/01/59/375510159.db2.gz ZIHPWISNAFTLQS-PTRXPTGYSA-N 1 0 268.307 2.283 10 0 CEAERO Cc1cnn(C)c1C[NH2+][C@@H](C)COCc1ccccc1 ZINC000286294175 375902902 /nfs/dbraw/zinc/90/29/02/375902902.db2.gz CEDQDTDCXZAMNT-AWEZNQCLSA-N 1 0 273.380 2.423 10 0 CEAERO CCOC(=O)c1c(Br)cccc1C[NH3+] ZINC000260527022 190039133 /nfs/dbraw/zinc/03/91/33/190039133.db2.gz SKSIQBZURJTOPJ-UHFFFAOYSA-N 1 0 258.115 2.085 10 0 CEAERO CC(C)(C)OC(=O)N1CC2(C1)CCC(C[NH3+])CC2 ZINC000261507757 190040321 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C[C@H]1C[C@H](O)C[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000334746877 207007850 /nfs/dbraw/zinc/00/78/50/207007850.db2.gz RZIVMLVCDOTBKL-WFASDCNBSA-N 1 0 256.349 2.438 10 0 CEAERO CCc1nc(N2CCCO[C@H](C)C2)sc1C[NH2+]C ZINC000061937007 184567953 /nfs/dbraw/zinc/56/79/53/184567953.db2.gz VOACJVCDUOHMED-SNVBAGLBSA-N 1 0 269.414 2.040 10 0 CEAERO C[NH2+][C@@H](C)[C@@H](C)Sc1nnc2n1CCCCC2 ZINC000081865783 184598462 /nfs/dbraw/zinc/59/84/62/184598462.db2.gz SRTYOEZXDDEAGC-VHSXEESVSA-N 1 0 254.403 2.093 10 0 CEAERO C[NH2+][C@H]1CCCC[C@@H]1Sc1nnnn1C1CCCC1 ZINC000081866549 184598869 /nfs/dbraw/zinc/59/88/69/184598869.db2.gz QWCOBYQNSFYXNL-RYUDHWBXSA-N 1 0 281.429 2.411 10 0 CEAERO CCC[NH2+][C@@H](CO)CN(CC)c1ccccc1C ZINC000085216141 184605132 /nfs/dbraw/zinc/60/51/32/184605132.db2.gz LUCHQVDBWOFYIX-CQSZACIVSA-N 1 0 250.386 2.182 10 0 CEAERO C[C@@H]1CC[C@@](C[NH3+])(OCC(=O)Nc2ccccc2)C1 ZINC000086723782 184610553 /nfs/dbraw/zinc/61/05/53/184610553.db2.gz ZDWMXZBWTNMEOB-IUODEOHRSA-N 1 0 262.353 2.159 10 0 CEAERO CC[C@H](C)NC(=O)[C@@H](C)OC1(C[NH3+])CCC(C)CC1 ZINC000086711713 184610603 /nfs/dbraw/zinc/61/06/03/184610603.db2.gz PDRBGOXZTBIUFM-SBEAFCBVSA-N 1 0 270.417 2.214 10 0 CEAERO CCN(Cc1ccccc1)S(=O)(=O)[C@@H](C)C[NH2+]C(C)C ZINC000088938797 184614338 /nfs/dbraw/zinc/61/43/38/184614338.db2.gz MSIAEDDSBMNYFE-AWEZNQCLSA-N 1 0 298.452 2.225 10 0 CEAERO C[NH2+]Cc1ccccc1S(=O)(=O)N1[C@H](C)CCC[C@H]1C ZINC000088926265 184614688 /nfs/dbraw/zinc/61/46/88/184614688.db2.gz KCQZOKQWGFLLRR-CHWSQXEVSA-N 1 0 296.436 2.358 10 0 CEAERO C[C@](O)(C[NH2+]C1CC1)COc1ccc(F)cc1Cl ZINC000090824101 184618364 /nfs/dbraw/zinc/61/83/64/184618364.db2.gz RGCSSDPEOCEQIT-ZDUSSCGKSA-N 1 0 273.735 2.361 10 0 CEAERO CC1(C)C(NC(=O)c2cccc(CC[NH3+])c2)C1(C)C ZINC000092804076 184627675 /nfs/dbraw/zinc/62/76/75/184627675.db2.gz CEBUOIKEALCPSY-UHFFFAOYSA-N 1 0 260.381 2.352 10 0 CEAERO C[NH2+]C[C@H]1CCO[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000092862859 184632775 /nfs/dbraw/zinc/63/27/75/184632775.db2.gz GPADELQCATWWKY-MFKMUULPSA-N 1 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XIDIHRCABDEOLO-APPZFPTMSA-N 1 0 298.184 2.089 10 0 CEAERO CCC[C@H](C[NH3+])[C@@H](O)CCc1ccc(OC)cc1 ZINC000093080926 184646897 /nfs/dbraw/zinc/64/68/97/184646897.db2.gz UTQCOROXIQEORH-HIFRSBDPSA-N 1 0 251.370 2.364 10 0 CEAERO O=S1(=O)CC[C@@H]([C@H](C[NH2+]C2CC2)c2cccc(F)c2)C1 ZINC000093164561 184652656 /nfs/dbraw/zinc/65/26/56/184652656.db2.gz SUWCMJLLHSAHQN-IUODEOHRSA-N 1 0 297.395 2.096 10 0 CEAERO CC[NH2+]Cc1cn(C)nc1-c1c(F)cccc1F ZINC000093296954 184661427 /nfs/dbraw/zinc/66/14/27/184661427.db2.gz FMLLHSYBRZPMHC-UHFFFAOYSA-N 1 0 251.280 2.475 10 0 CEAERO CCNC(=O)c1ccc(N[C@@H]2CCC[C@@H]([NH3+])C2)c(C)c1 ZINC000093214941 184656438 /nfs/dbraw/zinc/65/64/38/184656438.db2.gz AQWCUKROEHJJNB-ZIAGYGMSSA-N 1 0 275.396 2.427 10 0 CEAERO NC(=O)c1ccc(O[C@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000093219676 184656644 /nfs/dbraw/zinc/65/66/44/184656644.db2.gz SVDOZLIPOLQUBN-BDAKNGLRSA-N 1 0 268.744 2.088 10 0 CEAERO [NH3+][C@H]1CCC[C@H](Oc2cc3ccccc3c(=O)[nH]2)C1 ZINC000093220186 184656657 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ZINC000281277698 195176835 /nfs/dbraw/zinc/17/68/35/195176835.db2.gz GEZPPSYRFTXGST-SJORKVTESA-N 1 0 293.407 2.065 10 0 CEAERO [NH3+][C@H]1CCCCC[C@H]1S(=O)(=O)c1cc(F)ccc1F ZINC000081946002 177906827 /nfs/dbraw/zinc/90/68/27/177906827.db2.gz JKSOIBKSWRXYJD-NWDGAFQWSA-N 1 0 289.347 2.399 10 0 CEAERO CCC[NH2+][C@@H]1CCCC[C@H]1S(=O)(=O)CC(C)C ZINC000081928983 177900227 /nfs/dbraw/zinc/90/02/27/177900227.db2.gz HQLDRCAQBZEYBK-CHWSQXEVSA-N 1 0 261.431 2.368 10 0 CEAERO C[NH2+][C@@H](C)CCCCS(=O)(=O)c1cccc(OC)c1 ZINC000081923534 177897706 /nfs/dbraw/zinc/89/77/06/177897706.db2.gz MNTPWVUYVWZIIV-LBPRGKRZSA-N 1 0 285.409 2.247 10 0 CEAERO CC[NH2+][C@H](C)CCS(=O)(=O)c1cc(C)ccc1C ZINC000081922304 177896020 /nfs/dbraw/zinc/89/60/20/177896020.db2.gz PMTADPGSDNVJGU-CYBMUJFWSA-N 1 0 269.410 2.465 10 0 CEAERO CCC[NH2+][C@H](C)CCS(=O)(=O)c1ccc(F)cc1 ZINC000081921608 177895307 /nfs/dbraw/zinc/89/53/07/177895307.db2.gz HLOWKSSQGUGRLR-LLVKDONJSA-N 1 0 273.373 2.378 10 0 CEAERO CC[NH2+][C@H](C)[C@H](C)S(=O)(=O)c1cc(C)ccc1C ZINC000081922217 177895061 /nfs/dbraw/zinc/89/50/61/177895061.db2.gz PVCQAOCUEKXNPI-OLZOCXBDSA-N 1 0 269.410 2.464 10 0 CEAERO CCC[NH2+][C@@H]1CCOC[C@H]1Sc1nccc(C)n1 ZINC000081877164 177871943 /nfs/dbraw/zinc/87/19/43/177871943.db2.gz NGFBIRGEGPWPRR-VXGBXAGGSA-N 1 0 267.398 2.034 10 0 CEAERO CC[NH2+][C@@H](CC)[C@H](C)Sc1nnc(N(C)C)s1 ZINC000081769185 177856748 /nfs/dbraw/zinc/85/67/48/177856748.db2.gz OTJIENQDTJHZMA-IUCAKERBSA-N 1 0 274.459 2.473 10 0 CEAERO O=S1(=O)CCC([NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CC1 ZINC000081629453 177833425 /nfs/dbraw/zinc/83/34/25/177833425.db2.gz OCEZVLDXTGVWFG-TZMCWYRMSA-N 1 0 271.426 2.122 10 0 CEAERO CCC[C@@]1(c2nc([C@H](C)OCC)no2)CC[NH2+]C1 ZINC000080741829 177697481 /nfs/dbraw/zinc/69/74/81/177697481.db2.gz RKCIKTQGUCCFRN-GXFFZTMASA-N 1 0 253.346 2.198 10 0 CEAERO Cc1ccccc1C1CC([NH2+]CCc2nnc[nH]2)C1 ZINC000080577478 177674042 /nfs/dbraw/zinc/67/40/42/177674042.db2.gz FHMUCPWIEJMFGO-UHFFFAOYSA-N 1 0 256.353 2.191 10 0 CEAERO CCC[C@@]1(C(=O)N[C@@H](C)c2nc(C)cs2)CC[NH2+]C1 ZINC000080272835 177635749 /nfs/dbraw/zinc/63/57/49/177635749.db2.gz JRTFJTJVUMVXLQ-SMDDNHRTSA-N 1 0 281.425 2.409 10 0 CEAERO CCOC(=O)[C@@]1(NC(C)C)CC[C@H]([NH+]2CCCCC2)C1 ZINC000093823561 184725560 /nfs/dbraw/zinc/72/55/60/184725560.db2.gz RHFVNCGSTYKQGX-GOEBONIOSA-N 1 0 282.428 2.325 10 0 CEAERO CC[NH2+][C@]1(C(N)=O)CC[C@@H](Oc2cc(C)cc(C)c2C)C1 ZINC000093846607 184732179 /nfs/dbraw/zinc/73/21/79/184732179.db2.gz DDFBEYYWWMJMPJ-RHSMWYFYSA-N 1 0 290.407 2.377 10 0 CEAERO C[NH2+][C@H]1CCC[C@H]1CCSc1ncnc2[nH]cnc21 ZINC000093578744 184691504 /nfs/dbraw/zinc/69/15/04/184691504.db2.gz LQVIUKVQQBUQQI-UWVGGRQHSA-N 1 0 277.397 2.223 10 0 CEAERO CC(C)[NH2+][C@]1(C(=O)[O-])CCC[C@@H]1CC[NH+]1CCCCC1 ZINC000093584452 184692545 /nfs/dbraw/zinc/69/25/45/184692545.db2.gz ROONIAKPQWOGDC-GDBMZVCRSA-N 1 0 282.428 2.484 10 0 CEAERO C[NH2+][C@@]1(CO)CCC[C@@H]1CCn1cc(C(F)(F)F)cn1 ZINC000093618562 184696755 /nfs/dbraw/zinc/69/67/55/184696755.db2.gz HNDCELIPXHYUNB-ZYHUDNBSSA-N 1 0 291.317 2.043 10 0 CEAERO [NH3+][C@]1(CO)CCC[C@@H]1CCOc1ccc(F)cc1F ZINC000093620954 184697321 /nfs/dbraw/zinc/69/73/21/184697321.db2.gz PDKCLZRSNBHBAT-YGRLFVJLSA-N 1 0 271.307 2.224 10 0 CEAERO CCC[NH2+][C@@]1(CO)CCC[C@@H]1CCOCCOC(C)C ZINC000093620618 184697520 /nfs/dbraw/zinc/69/75/20/184697520.db2.gz IYSVKKVJCAMYAF-HZPDHXFCSA-N 1 0 287.444 2.349 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1CCS(=O)(=O)c1cc(F)ccc1F ZINC000093623546 184697985 /nfs/dbraw/zinc/69/79/85/184697985.db2.gz IGQIFRNOCGEQCV-BXKDBHETSA-N 1 0 289.347 2.256 10 0 CEAERO CO[C@@H](C)c1noc(CC[C@H]([NH3+])c2ccccc2)n1 ZINC000093689118 184706465 /nfs/dbraw/zinc/70/64/65/184706465.db2.gz MYOSGYBDDFYGPT-JQWIXIFHSA-N 1 0 261.325 2.410 10 0 CEAERO CC[NH2+][C@@H](CC[C@H]1CCCN(S(C)(=O)=O)C1)C(C)C ZINC000093697983 184707940 /nfs/dbraw/zinc/70/79/40/184707940.db2.gz WCFHWPVKIKSHJO-KGLIPLIRSA-N 1 0 290.473 2.072 10 0 CEAERO CCC[NH2+][C@]1(C(=O)[O-])CCC[C@H]([NH+](CC)CC)C1 ZINC000093748600 184713433 /nfs/dbraw/zinc/71/34/33/184713433.db2.gz AJHUUVSGUQOPOG-GXTWGEPZSA-N 1 0 256.390 2.094 10 0 CEAERO CCOC(=O)[C@]1(NC)CCC[C@@H]([NH+]2CCC(C)CC2)C1 ZINC000093748386 184713435 /nfs/dbraw/zinc/71/34/35/184713435.db2.gz GNPHNUBCPPJVGQ-ZBFHGGJFSA-N 1 0 282.428 2.182 10 0 CEAERO [NH3+][C@]1(CO)CCC[C@@H](Sc2nc3ccccc3[nH]2)C1 ZINC000093786613 184722038 /nfs/dbraw/zinc/72/20/38/184722038.db2.gz XDEWGVNRJPWDRK-QMTHXVAHSA-N 1 0 277.393 2.287 10 0 CEAERO C[NH2+][C@@]1(CO)CCC[C@@H](Sc2ccccn2)C1 ZINC000093786652 184722114 /nfs/dbraw/zinc/72/21/14/184722114.db2.gz KVJFKJWGLMFTGM-YPMHNXCESA-N 1 0 252.383 2.067 10 0 CEAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1sccc1N ZINC000094446676 184801720 /nfs/dbraw/zinc/80/17/20/184801720.db2.gz LKSFSLQEFDZTPM-GHMZBOCLSA-N 1 0 279.409 2.029 10 0 CEAERO Cc1ccc(F)c([C@H]([NH3+])[C@@H]2CN(C(C)C)CCO2)c1 ZINC000093925630 184743114 /nfs/dbraw/zinc/74/31/14/184743114.db2.gz ATKRDDYMKBXWOL-GJZGRUSLSA-N 1 0 266.360 2.243 10 0 CEAERO CC[NH2+][C@@H](Cc1ccccc1F)[C@@H]1CN(C(C)C)CCO1 ZINC000093927801 184744265 /nfs/dbraw/zinc/74/42/65/184744265.db2.gz HULBGNVSDIPIAS-IRXDYDNUSA-N 1 0 294.414 2.456 10 0 CEAERO O=C([C@H]1CC=CCC1)N(CC1CC[NH2+]CC1)C1CC1 ZINC000094023370 184751277 /nfs/dbraw/zinc/75/12/77/184751277.db2.gz MPEZGIOATHDFQL-AWEZNQCLSA-N 1 0 262.397 2.333 10 0 CEAERO Cc1cc2c(ncnc2N(C)CC2CC[NH2+]CC2)s1 ZINC000094043097 184751869 /nfs/dbraw/zinc/75/18/69/184751869.db2.gz HVUNIQTUVYFHCE-UHFFFAOYSA-N 1 0 276.409 2.436 10 0 CEAERO COc1ccc(N[C@H]2CC[NH2+]C2)cc1OC(F)F ZINC000094080258 184754060 /nfs/dbraw/zinc/75/40/60/184754060.db2.gz OHTSKEOEVZSFSW-VIFPVBQESA-N 1 0 258.268 2.070 10 0 CEAERO Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@H](CO)Cc1ccccc1 ZINC000094088993 184754387 /nfs/dbraw/zinc/75/43/87/184754387.db2.gz DHYXETZYPGVVTM-WMZOPIPTSA-N 1 0 282.387 2.449 10 0 CEAERO CCc1ccc(C[C@H](O)[C@@](C)(CC)[NH+](C)C)nc1 ZINC000094115141 184755571 /nfs/dbraw/zinc/75/55/71/184755571.db2.gz FEPMHPFVLAHNPC-LSDHHAIUSA-N 1 0 250.386 2.278 10 0 CEAERO CCn1ccnc1C[C@H]([NH3+])c1c(F)cccc1F ZINC000094164142 184758170 /nfs/dbraw/zinc/75/81/70/184758170.db2.gz MTKYUKKVBDMKEU-NSHDSACASA-N 1 0 251.280 2.424 10 0 CEAERO CCC[NH2+]Cc1ccc(OCc2cncn2CC)cn1 ZINC000094210096 184762696 /nfs/dbraw/zinc/76/26/96/184762696.db2.gz YDJFVNMVJZFPJF-UHFFFAOYSA-N 1 0 274.368 2.377 10 0 CEAERO CCOC(=O)CCCCCOc1ccc(C[C@@H](C)[NH3+])nc1 ZINC000094215806 184763497 /nfs/dbraw/zinc/76/34/97/184763497.db2.gz SLIDVAMMFFQLRE-CYBMUJFWSA-N 1 0 294.395 2.474 10 0 CEAERO CCN(C(=O)[C@@](C)([NH3+])CC)[C@H](C)c1cccc(O)c1 ZINC000094235728 184767596 /nfs/dbraw/zinc/76/75/96/184767596.db2.gz JOPDKDKXJGHLAV-ABAIWWIYSA-N 1 0 264.369 2.429 10 0 CEAERO C[NH2+]Cc1cc(OC)c(OC)cc1Cc1nccs1 ZINC000094253830 184770628 /nfs/dbraw/zinc/77/06/28/184770628.db2.gz UWEAQZPPYPTXLV-UHFFFAOYSA-N 1 0 278.377 2.471 10 0 CEAERO COC(=O)c1ccc(NCC2CC[NH2+]CC2)c(F)c1F ZINC000094271979 184774084 /nfs/dbraw/zinc/77/40/84/184774084.db2.gz PXWNIOAFNJYKKA-UHFFFAOYSA-N 1 0 284.306 2.163 10 0 CEAERO COc1ccccc1[C@@H](C)N(C)C(=O)CC1([NH3+])CCC1 ZINC000094294514 184777237 /nfs/dbraw/zinc/77/72/37/184777237.db2.gz MGBLYGIDMBIROZ-GFCCVEGCSA-N 1 0 276.380 2.486 10 0 CEAERO C[C@H](C1CC1)N(CC(F)(F)F)C(=O)CC1([NH3+])CCC1 ZINC000094294469 184777302 /nfs/dbraw/zinc/77/73/02/184777302.db2.gz YHIMULKVCVMAAK-SECBINFHSA-N 1 0 278.318 2.447 10 0 CEAERO CC1(C)CC[C@@H](Oc2ccc3c(c2)CCC(=O)N3)[C@@H]1[NH3+] ZINC000094307652 184778488 /nfs/dbraw/zinc/77/84/88/184778488.db2.gz LWZYYHHCFGUZIQ-HIFRSBDPSA-N 1 0 274.364 2.466 10 0 CEAERO CCOc1cc(C(F)(F)F)nc(C[C@H]([NH3+])CC)n1 ZINC000094334007 184782618 /nfs/dbraw/zinc/78/26/18/184782618.db2.gz MJOCKUMXBDCAOH-SSDOTTSWSA-N 1 0 263.263 2.174 10 0 CEAERO C[NH2+]Cc1ccccc1O[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000094363629 184788893 /nfs/dbraw/zinc/78/88/93/184788893.db2.gz GXUMJWNZSUXYBR-HOCLYGCPSA-N 1 0 277.364 2.123 10 0 CEAERO Cc1cc(C[NH3+])cc(C)c1O[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000094362082 184789391 /nfs/dbraw/zinc/78/93/91/184789391.db2.gz LMMDXNKSACHTHF-WBVHZDCISA-N 1 0 291.391 2.479 10 0 CEAERO CC[NH+](CC)C(C)(C)C(=O)[C@H]1CCO[C@]2(CCOC2)C1 ZINC000094394044 184793042 /nfs/dbraw/zinc/79/30/42/184793042.db2.gz QXEHIPPHNZGMNB-XJKSGUPXSA-N 1 0 283.412 2.262 10 0 CEAERO [NH3+][C@H](C1CCOCC1)[C@@H]1CCOC2(CCSCC2)C1 ZINC000094405224 184793865 /nfs/dbraw/zinc/79/38/65/184793865.db2.gz JWOSRJDABWJURM-ZIAGYGMSSA-N 1 0 285.453 2.433 10 0 CEAERO COCC[NH2+]CC[C@@](C)(O)[C@H]1CCOC2(CCCC2)C1 ZINC000094418772 184794862 /nfs/dbraw/zinc/79/48/62/184794862.db2.gz AAAPCHFVIFOKFR-LSDHHAIUSA-N 1 0 285.428 2.103 10 0 CEAERO CC[C@@H]1CN(CCOCCOC)c2ccccc2C[NH2+]1 ZINC000094421361 184795420 /nfs/dbraw/zinc/79/54/20/184795420.db2.gz OIHMIWRNBUXHKD-OAHLLOKOSA-N 1 0 278.396 2.038 10 0 CEAERO CC1(C)C[C@]([NH2+]Cc2cccs2)(C(N)=O)C(C)(C)O1 ZINC000094425358 184795672 /nfs/dbraw/zinc/79/56/72/184795672.db2.gz MSIQNFRFHGICFQ-AWEZNQCLSA-N 1 0 282.409 2.039 10 0 CEAERO CN(C[C@@H]1[C@@H]([NH3+])C(C)(C)OC1(C)C)CC(F)(F)F ZINC000094428120 184796127 /nfs/dbraw/zinc/79/61/27/184796127.db2.gz MWEPSPHANURAOO-RKDXNWHRSA-N 1 0 268.323 2.011 10 0 CEAERO COc1ccc(CNC(=O)[C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000094749056 184852000 /nfs/dbraw/zinc/85/20/00/184852000.db2.gz YDOMIPFUQDNDJH-HUUCEWRRSA-N 1 0 276.380 2.219 10 0 CEAERO CCCO[C@@H]1CCCN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000094752380 184852797 /nfs/dbraw/zinc/85/27/97/184852797.db2.gz RXNCSJYSPOUKHL-KFWWJZLASA-N 1 0 282.428 2.312 10 0 CEAERO C[C@@H]([NH3+])[C@@H](C)c1nc(-c2ccc(Cl)cn2)no1 ZINC000094845513 184879384 /nfs/dbraw/zinc/87/93/84/184879384.db2.gz RVGQQXAIUSJLQS-RNFRBKRXSA-N 1 0 252.705 2.236 10 0 CEAERO COC(=O)c1ccc(C[NH2+]Cc2ccccc2)nc1 ZINC000094759161 184854867 /nfs/dbraw/zinc/85/48/67/184854867.db2.gz CTMWTXYLSZKNFG-UHFFFAOYSA-N 1 0 256.305 2.158 10 0 CEAERO C[C@]1(C(=O)N(CCC[NH3+])c2cccc(F)c2)CCCO1 ZINC000094786256 184864085 /nfs/dbraw/zinc/86/40/85/184864085.db2.gz BZYRXTROULVHQE-OAHLLOKOSA-N 1 0 280.343 2.077 10 0 CEAERO CC[NH2+]Cc1ccccc1NC(=O)[C@@]1(C)CCCO1 ZINC000094790156 184864912 /nfs/dbraw/zinc/86/49/12/184864912.db2.gz NJGABSJNVSEEFA-OAHLLOKOSA-N 1 0 262.353 2.304 10 0 CEAERO CCC[NH2+]CCCS(=O)(=O)N1CCC(CC)(CC)C1 ZINC000094815047 184873080 /nfs/dbraw/zinc/87/30/80/184873080.db2.gz BCPCQMYVCCKZIP-UHFFFAOYSA-N 1 0 290.473 2.218 10 0 CEAERO C[C@@H]([NH3+])Cc1ccnc(-c2cncc(Br)c2)n1 ZINC000094825444 184875083 /nfs/dbraw/zinc/87/50/83/184875083.db2.gz XHRBXKSPICDXAS-MRVPVSSYSA-N 1 0 293.168 2.191 10 0 CEAERO CC[NH2+][C@@H](C)CCc1nc(CCC(F)(F)F)no1 ZINC000094494229 184809760 /nfs/dbraw/zinc/80/97/60/184809760.db2.gz DJNADFIARBUCJL-QMMMGPOBSA-N 1 0 265.279 2.495 10 0 CEAERO C[NH2+][C@H](c1cc(Cl)cnc1N)[C@H]1CSCCS1 ZINC000094499162 184810415 /nfs/dbraw/zinc/81/04/15/184810415.db2.gz JQHHIPXDQVPQGS-NXEZZACHSA-N 1 0 289.857 2.426 10 0 CEAERO CC(C)[NH2+]Cc1cc(=O)[nH]c([C@@H]2CSCCS2)n1 ZINC000094500650 184811205 /nfs/dbraw/zinc/81/12/05/184811205.db2.gz IDGAIYFFLDPMKQ-JTQLQIEISA-N 1 0 285.438 2.201 10 0 CEAERO C[NH2+][C@@H](c1ccc(C(C)(C)C)cc1)[C@H]1CN2CCN1CC2 ZINC000094509459 184811895 /nfs/dbraw/zinc/81/18/95/184811895.db2.gz KCMZACCNKROYKD-SJORKVTESA-N 1 0 287.451 2.244 10 0 CEAERO C[C@H]1C[C@H]([NH3+])CN(C(=O)c2cc3c(s2)CCCC3)C1 ZINC000094549211 184815579 /nfs/dbraw/zinc/81/55/79/184815579.db2.gz FQZLENVSUJODGA-JQWIXIFHSA-N 1 0 278.421 2.436 10 0 CEAERO [NH3+]C1CC(NC(=O)CC23CC4CC(CC(C4)C2)C3)C1 ZINC000094546120 184816209 /nfs/dbraw/zinc/81/62/09/184816209.db2.gz KUWFBVBBZVHUPY-UHFFFAOYSA-N 1 0 262.397 2.199 10 0 CEAERO CCOc1cccc(-c2noc([C@H]3CC[C@H](C[NH3+])O3)n2)c1 ZINC000094560828 184818324 /nfs/dbraw/zinc/81/83/24/184818324.db2.gz RFFDTRPVQNFSEC-CHWSQXEVSA-N 1 0 289.335 2.314 10 0 CEAERO CCSc1ccccc1NC(=O)[C@H]1CC[C@H](C[NH3+])O1 ZINC000094567520 184819203 /nfs/dbraw/zinc/81/92/03/184819203.db2.gz OFVSQLIZWHGKTG-ZYHUDNBSSA-N 1 0 280.393 2.243 10 0 CEAERO CC[C@]1(C(=O)Nc2cc(C)cc(C)c2O)CC[NH2+]C1 ZINC000094574416 184821243 /nfs/dbraw/zinc/82/12/43/184821243.db2.gz OUDCTCYHXDANQR-HNNXBMFYSA-N 1 0 262.353 2.337 10 0 CEAERO Cc1ccc(-c2cnc([C@@H](C)N3CC[NH2+]CC3)nc2)cc1 ZINC000094577316 184821587 /nfs/dbraw/zinc/82/15/87/184821587.db2.gz IVRHARCXXNTRIF-CQSZACIVSA-N 1 0 282.391 2.418 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1cc(CC)ccc1O ZINC000094575334 184821850 /nfs/dbraw/zinc/82/18/50/184821850.db2.gz YVIDRFUQJYOFDH-SNVBAGLBSA-N 1 0 250.342 2.281 10 0 CEAERO [NH3+][C@H]1CCCCC[C@H]1Nc1nc2ccc(Cl)cn2n1 ZINC000094608040 184825788 /nfs/dbraw/zinc/82/57/88/184825788.db2.gz NVGQSUTZNXJOSG-WDEREUQCSA-N 1 0 279.775 2.455 10 0 CEAERO CN(C)CC[NH2+]CCn1ccc2c1cccc2Cl ZINC000094613158 184826475 /nfs/dbraw/zinc/82/64/75/184826475.db2.gz UNKXJYODGREFEC-UHFFFAOYSA-N 1 0 265.788 2.446 10 0 CEAERO C[NH2+][C@]1(C(N)=O)CCC[C@@H](Sc2cccc(F)c2)C1 ZINC000094624281 184828712 /nfs/dbraw/zinc/82/87/12/184828712.db2.gz GFKKAFBQIPQPLI-TZMCWYRMSA-N 1 0 282.384 2.304 10 0 CEAERO CC[NH2+][C@H](c1ccncc1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094641668 184832294 /nfs/dbraw/zinc/83/22/94/184832294.db2.gz SWKVZVCPUJCKLX-QLFBSQMISA-N 1 0 296.436 2.336 10 0 CEAERO CCC[NH2+]Cc1ccc(OC)cc1O[C@H](C)[C@H](C)O ZINC000094653114 184834936 /nfs/dbraw/zinc/83/49/36/184834936.db2.gz GTXCJWUBNZSCFS-NWDGAFQWSA-N 1 0 267.369 2.343 10 0 CEAERO C[NH2+][C@@H](c1cc(OC)cc(OC)c1)c1ccccn1 ZINC000094650872 184835006 /nfs/dbraw/zinc/83/50/06/184835006.db2.gz GJNJDXUVIZCHJV-HNNXBMFYSA-N 1 0 258.321 2.408 10 0 CEAERO CCN(C(=O)c1cccnc1C)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000094649288 184835192 /nfs/dbraw/zinc/83/51/92/184835192.db2.gz ABSCWFPXAAKIEL-HIFRSBDPSA-N 1 0 275.396 2.370 10 0 CEAERO Cc1ccccc1NC(=O)CO[C@H]1CCC[NH2+][C@H]1C ZINC000094673440 184838360 /nfs/dbraw/zinc/83/83/60/184838360.db2.gz VVKBCKWTCMJHCZ-JSGCOSHPSA-N 1 0 262.353 2.091 10 0 CEAERO CCC[NH2+][C@@H](C(N)=O)c1ccc(OC)c2ccccc21 ZINC000094692594 184840404 /nfs/dbraw/zinc/84/04/04/184840404.db2.gz RYNPNWBGRFEFHD-OAHLLOKOSA-N 1 0 272.348 2.374 10 0 CEAERO COc1ccc(CN(C)C(=O)[C@H](C[NH3+])CC(C)C)cc1 ZINC000094698287 184842696 /nfs/dbraw/zinc/84/26/96/184842696.db2.gz CRYKPHRWJKKDTN-AWEZNQCLSA-N 1 0 278.396 2.275 10 0 CEAERO C[NH2+][C@H](Cc1ncc[nH]1)Cc1cccc(F)c1F ZINC000094712327 184845555 /nfs/dbraw/zinc/84/55/55/184845555.db2.gz LARZGNLVTQAZJW-JTQLQIEISA-N 1 0 251.280 2.061 10 0 CEAERO Cc1cc(C)cc(CS(=O)(=O)CC2(CC[NH3+])CC2)c1 ZINC000094721250 184846611 /nfs/dbraw/zinc/84/66/11/184846611.db2.gz OPYGFLILOSGNEV-UHFFFAOYSA-N 1 0 281.421 2.347 10 0 CEAERO CCCCCC(C)(C)C[NH2+]CC(=O)N1CCOCC1 ZINC000094987597 184911599 /nfs/dbraw/zinc/91/15/99/184911599.db2.gz KVXZAUCACCQIEY-UHFFFAOYSA-N 1 0 270.417 2.041 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@H](C)CN1Cc1cccnc1OC ZINC000095011298 184915464 /nfs/dbraw/zinc/91/54/64/184915464.db2.gz HIYULUYDIPRCQG-DOMZBBRYSA-N 1 0 263.385 2.053 10 0 CEAERO CCC[C@H]1C[NH2+][C@@H](CC)CN1Cc1cccnc1OC ZINC000095011418 184915498 /nfs/dbraw/zinc/91/54/98/184915498.db2.gz WXXOHNPIWXXXOF-GJZGRUSLSA-N 1 0 277.412 2.443 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@@H]1NC(=O)Cc1c(F)cccc1F ZINC000095045955 184922882 /nfs/dbraw/zinc/92/28/82/184922882.db2.gz FOKBAAVQIRYQLD-KGLIPLIRSA-N 1 0 282.334 2.284 10 0 CEAERO CCOc1nc2ccccc2nc1OCC1CC[NH2+]CC1 ZINC000095069736 184931377 /nfs/dbraw/zinc/93/13/77/184931377.db2.gz COLNDMWGHWFEGS-UHFFFAOYSA-N 1 0 287.363 2.407 10 0 CEAERO O=[S@](Cc1cnc(Cl)s1)CC1CC[NH2+]CC1 ZINC000095070280 184931858 /nfs/dbraw/zinc/93/18/58/184931858.db2.gz RRFUUFCSOZPSGO-MRXNPFEDSA-N 1 0 278.830 2.045 10 0 CEAERO CC(C)(C)OC(=O)N(C[C@@H]1CCC[NH2+]1)C(F)(F)F ZINC000095082903 184938429 /nfs/dbraw/zinc/93/84/29/184938429.db2.gz CFIIQNOBBQEATG-QMMMGPOBSA-N 1 0 268.279 2.495 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@H]1COc1ncnc2c1CCCC2 ZINC000094872825 184885055 /nfs/dbraw/zinc/88/50/55/184885055.db2.gz CJGIGPQIZSKUJR-OLZOCXBDSA-N 1 0 275.396 2.499 10 0 CEAERO CCN(Cc1cccc(C)n1)c1cc(C[NH3+])ccn1 ZINC000094910785 184891300 /nfs/dbraw/zinc/89/13/00/184891300.db2.gz DBRGCBNHTCHHTB-UHFFFAOYSA-N 1 0 256.353 2.270 10 0 CEAERO CC1(C(=O)N2C[C@@H]3C[NH2+]C[C@@H]3C2(C)C)CCCC1 ZINC000094906236 184891326 /nfs/dbraw/zinc/89/13/26/184891326.db2.gz RFQFZHMDNDAXKK-RYUDHWBXSA-N 1 0 250.386 2.023 10 0 CEAERO Cc1ccc(-c2nc([C@H](C)N3CC[NH2+]CC3)no2)c(F)c1 ZINC000094921523 184893811 /nfs/dbraw/zinc/89/38/11/184893811.db2.gz YZJYYBVCZPVMMT-NSHDSACASA-N 1 0 290.342 2.150 10 0 CEAERO Cc1ccc(C(=O)NC[C@@H]2CCCC[C@H]2[NH3+])c(F)c1 ZINC000094925453 184895402 /nfs/dbraw/zinc/89/54/02/184895402.db2.gz ZDGWEYQBWYVXKD-SMDDNHRTSA-N 1 0 264.344 2.381 10 0 CEAERO CCOc1cccc(C[C@H](C)C[NH2+]CCOC)c1 ZINC000094934555 184896679 /nfs/dbraw/zinc/89/66/79/184896679.db2.gz STUXCRMGVKZMQL-ZDUSSCGKSA-N 1 0 251.370 2.500 10 0 CEAERO CC[NH2+][C@H](C)[C@@H](c1nc(-c2ncc[nH]2)no1)C(C)C ZINC000094940734 184897983 /nfs/dbraw/zinc/89/79/83/184897983.db2.gz NRAWRLYGWDMWHO-ZJUUUORDSA-N 1 0 263.345 2.197 10 0 CEAERO C[C@](O)(C1(C)CC1)[C@]1(C[NH3+])CCOc2ccccc21 ZINC000094955066 184902616 /nfs/dbraw/zinc/90/26/16/184902616.db2.gz HKSVSLBTGSRNQR-HOTGVXAUSA-N 1 0 261.365 2.217 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@H]2CC[NH2+][C@@H]2C)cc1F ZINC000094956246 184904022 /nfs/dbraw/zinc/90/40/22/184904022.db2.gz NTFCYJKTWDOWBE-LOWVWBTDSA-N 1 0 264.344 2.309 10 0 CEAERO CC[C@H](CC[NH3+])CNC(=O)[C@@H]1CCOc2ccccc21 ZINC000094961948 184906488 /nfs/dbraw/zinc/90/64/88/184906488.db2.gz NLKZTSWLCOSHIJ-TZMCWYRMSA-N 1 0 276.380 2.044 10 0 CEAERO O[C@H]1CCCC[C@@H]1[N@@H+]1CCOc2cccc(F)c2C1 ZINC000334612460 285361936 /nfs/dbraw/zinc/36/19/36/285361936.db2.gz MIETULBKRFRZBI-KBPBESRZSA-N 1 0 265.328 2.324 10 0 CEAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)c1ccc(F)cc1 ZINC000282208548 195538046 /nfs/dbraw/zinc/53/80/46/195538046.db2.gz DDMQESCONDHJRO-CWSCBRNRSA-N 1 0 250.317 2.143 10 0 CEAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)c1ccc(Cl)cn1 ZINC000282502178 195629363 /nfs/dbraw/zinc/62/93/63/195629363.db2.gz YGFQWAKPYMQECL-AUTRQRHGSA-N 1 0 267.760 2.053 10 0 CEAERO C[C@H]([NH2+]CCC1OCCO1)c1cccc(-n2ccnc2)c1 ZINC000189886966 130035287 /nfs/dbraw/zinc/03/52/87/130035287.db2.gz FYZMAOAOZYPPIN-ZDUSSCGKSA-N 1 0 287.363 2.286 10 0 CEAERO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cncs1 ZINC000190428866 130101935 /nfs/dbraw/zinc/10/19/35/130101935.db2.gz CHLHEOHNCRLJIN-STQMWFEESA-N 1 0 292.408 2.369 10 0 CEAERO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@@H](C)[C@H]2CCCO2)c1 ZINC000249685199 131122315 /nfs/dbraw/zinc/12/23/15/131122315.db2.gz MHKQNVVGHLDRMS-ARFHVFGLSA-N 1 0 293.407 2.200 10 0 CEAERO CCc1ccc([C@H](COC)NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)o1 ZINC000262360323 131214303 /nfs/dbraw/zinc/21/43/03/131214303.db2.gz IKOSTHAUPMZZFC-OBJOEFQTSA-N 1 0 294.395 2.034 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)NCC1(Cc2ccc(F)cc2)CC1 ZINC000262577314 131235265 /nfs/dbraw/zinc/23/52/65/131235265.db2.gz OXCWMTIABQXDLR-CQSZACIVSA-N 1 0 278.371 2.392 10 0 CEAERO CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)C1CC[NH2+]CC1 ZINC000262593410 131238244 /nfs/dbraw/zinc/23/82/44/131238244.db2.gz VPDNAEZVMNILGZ-NHYWBVRUSA-N 1 0 294.370 2.018 10 0 CEAERO C[NH+](C)CC1CCN(c2ccc(N)cc2F)CC1 ZINC000042392991 134888264 /nfs/dbraw/zinc/88/82/64/134888264.db2.gz OWONZYGMGBTCHG-UHFFFAOYSA-N 1 0 251.349 2.186 10 0 CEAERO CCCO[C@@H]1CCCN(c2nc(C)cc(C)c2C(N)=[NH2+])C1 ZINC000042422628 134890106 /nfs/dbraw/zinc/89/01/06/134890106.db2.gz IJLIZYIEFSMLLQ-CYBMUJFWSA-N 1 0 290.411 2.378 10 0 CEAERO Cc1ccc(-c2ccc(N3CCC[C@H]([NH3+])C3)nn2)cc1 ZINC000070458467 134949158 /nfs/dbraw/zinc/94/91/58/134949158.db2.gz QKSDLADCRQAGPD-AWEZNQCLSA-N 1 0 268.364 2.380 10 0 CEAERO COc1cc(N2CC[NH2+][C@@H](C)C2)c(OC)cc1Cl ZINC000083517930 135026824 /nfs/dbraw/zinc/02/68/24/135026824.db2.gz BZRVNFHIBUIMHC-VIFPVBQESA-N 1 0 270.760 2.155 10 0 CEAERO [NH3+][C@@H]1CCCN(c2ccc(Br)c(F)c2)C1=O ZINC000083826879 135031354 /nfs/dbraw/zinc/03/13/54/135031354.db2.gz GEQKWPGPCKPUPK-SNVBAGLBSA-N 1 0 287.132 2.042 10 0 CEAERO C[C@@H]1C[NH2+]C(C)(C)CN1c1ccc(N2CCOCC2)cc1 ZINC000086264189 135039667 /nfs/dbraw/zinc/03/96/67/135039667.db2.gz NHAGUFAMKTWHQI-CQSZACIVSA-N 1 0 289.423 2.100 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N1CCCc2cccc(OC)c21 ZINC000087528467 135050116 /nfs/dbraw/zinc/05/01/16/135050116.db2.gz FHRZIYKHVQFAHQ-CYBMUJFWSA-N 1 0 276.380 2.349 10 0 CEAERO [NH3+]C1CCN(c2c3nsnc3ccc2Cl)CC1 ZINC000088120669 135052576 /nfs/dbraw/zinc/05/25/76/135052576.db2.gz JGTJMHJMEDMFPY-UHFFFAOYSA-N 1 0 268.773 2.272 10 0 CEAERO [NH3+]C1(C(=O)Nc2ccccc2N2CCCCC2)CC1 ZINC000088130883 135052591 /nfs/dbraw/zinc/05/25/91/135052591.db2.gz PZNWVAOZMWMDMS-UHFFFAOYSA-N 1 0 259.353 2.107 10 0 CEAERO [NH3+]C1CCN(c2cncc(OCC3CCC3)c2)CC1 ZINC000088135551 135053259 /nfs/dbraw/zinc/05/32/59/135053259.db2.gz HJBANNMOCOFTLC-UHFFFAOYSA-N 1 0 261.369 2.188 10 0 CEAERO CC(C)Oc1cncc(N2CC[NH2+]CC23CCCCC3)n1 ZINC000088396734 135054075 /nfs/dbraw/zinc/05/40/75/135054075.db2.gz JFRUORVZZHRACY-UHFFFAOYSA-N 1 0 290.411 2.376 10 0 CEAERO [NH3+]Cc1cccnc1N1CCC[C@H](C(F)(F)F)C1 ZINC000088416200 135054365 /nfs/dbraw/zinc/05/43/65/135054365.db2.gz WFVMPGBJWZRYPV-JTQLQIEISA-N 1 0 259.275 2.319 10 0 CEAERO C[C@@H](C[NH3+])SCC(=O)N1CCCc2ccccc21 ZINC000090341887 135062731 /nfs/dbraw/zinc/06/27/31/135062731.db2.gz YZHIABJWCWNNNT-NSHDSACASA-N 1 0 264.394 2.046 10 0 CEAERO CC(C)C[C@@](C)(O)C[NH2+]C1CCN(c2ccccn2)CC1 ZINC000090270463 135063109 /nfs/dbraw/zinc/06/31/09/135063109.db2.gz XIBGZMXEBCMDDU-QGZVFWFLSA-N 1 0 291.439 2.437 10 0 CEAERO CC[C@H]([NH3+])Cc1cc(F)ccc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090908242 135066751 /nfs/dbraw/zinc/06/67/51/135066751.db2.gz VGHHEFRTTJPIOP-SOUVJXGZSA-N 1 0 278.371 2.473 10 0 CEAERO Cc1cccc2c1N(C(=O)C[C@@H]1CSCC[NH2+]1)CCC2 ZINC000091138387 135067284 /nfs/dbraw/zinc/06/72/84/135067284.db2.gz MRLDDOLBZMVXNS-CQSZACIVSA-N 1 0 290.432 2.369 10 0 CEAERO C[C@H](O)C(C)(C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000091405656 135068978 /nfs/dbraw/zinc/06/89/78/135068978.db2.gz MOPYBGJDYNBQMK-AWEZNQCLSA-N 1 0 262.397 2.216 10 0 CEAERO C[NH2+]Cc1cncc(N2CCc3sccc3[C@@H]2C)n1 ZINC000091419861 135069522 /nfs/dbraw/zinc/06/95/22/135069522.db2.gz DNRHIMYEAIMCQL-JTQLQIEISA-N 1 0 274.393 2.381 10 0 CEAERO C[C@@H]1CC[C@@H](C)N(c2cncc(C[NH2+]C3CC3)n2)C1 ZINC000091422164 135070016 /nfs/dbraw/zinc/07/00/16/135070016.db2.gz AMOUTDPFWALTJN-VXGBXAGGSA-N 1 0 260.385 2.353 10 0 CEAERO CC[C@H](C)[NH+]1CCN(c2nc(Cl)ncc2F)CC1 ZINC000091655623 135072951 /nfs/dbraw/zinc/07/29/51/135072951.db2.gz OORUHNSCPRKCFK-VIFPVBQESA-N 1 0 272.755 2.190 10 0 CEAERO Cc1cccc(N2CCN(C[C@H]3CC[NH2+][C@@H]3C)CC2)c1 ZINC000092957675 135077506 /nfs/dbraw/zinc/07/75/06/135077506.db2.gz FBORPFHERXNERL-HZPDHXFCSA-N 1 0 273.424 2.115 10 0 CEAERO Cc1ccc2c(c1)CCCN2C[C@H]1Cc2nc[nH]c2C[NH2+]1 ZINC000092798519 135077573 /nfs/dbraw/zinc/07/75/73/135077573.db2.gz GJXNJAKFABHGMR-CQSZACIVSA-N 1 0 282.391 2.185 10 0 CEAERO C[C@@H]1[NH2+]CC[C@H]1CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000092957721 135077629 /nfs/dbraw/zinc/07/76/29/135077629.db2.gz LDDFOMIKJXNFFY-KBPBESRZSA-N 1 0 293.842 2.460 10 0 CEAERO [NH3+]CC1(N2CCN(c3ccccc3Cl)CC2)CCC1 ZINC000093394483 135080410 /nfs/dbraw/zinc/08/04/10/135080410.db2.gz SZZCKOKXSFDJEO-UHFFFAOYSA-N 1 0 279.815 2.343 10 0 CEAERO [NH3+]CC1(N2CCN(c3cccc(Cl)c3)CC2)CCC1 ZINC000093394466 135080568 /nfs/dbraw/zinc/08/05/68/135080568.db2.gz DGULLDFAKLFGKX-UHFFFAOYSA-N 1 0 279.815 2.343 10 0 CEAERO C[C@H](C[C@H]1CCC[NH2+]1)Nc1ccccc1N1CCOCC1 ZINC000093463992 135080921 /nfs/dbraw/zinc/08/09/21/135080921.db2.gz WSKVYOGVUFKZDY-HUUCEWRRSA-N 1 0 289.423 2.466 10 0 CEAERO CC1(C)CCC[C@@]1(C[NH3+])N1CCN(c2ccccn2)CC1 ZINC000094309160 135085816 /nfs/dbraw/zinc/08/58/16/135085816.db2.gz SWJHRFBAEAHHAH-KRWDZBQOSA-N 1 0 288.439 2.111 10 0 CEAERO CC(C)c1nccnc1NCC1([NH+](C)C)CCCC1 ZINC000413096747 394482001 /nfs/dbraw/zinc/48/20/01/394482001.db2.gz QWXUQMCHDZYKTO-UHFFFAOYSA-N 1 0 262.401 2.308 10 0 CEAERO COc1ccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2[NH3+])cc1 ZINC000035571715 394494547 /nfs/dbraw/zinc/49/45/47/394494547.db2.gz GFFOEMWZSLZQTP-KGLIPLIRSA-N 1 0 292.379 2.357 10 0 CEAERO COCC[N@H+](CC[C@H]1C[C@H](C)C[C@H](C)C1)[C@@H](C)C(N)=O ZINC000246162276 394509999 /nfs/dbraw/zinc/50/99/99/394509999.db2.gz DLBNRGXZMBQQMJ-LJISPDSOSA-N 1 0 284.444 2.271 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCc2ccsc2)C1 ZINC000052525970 394558181 /nfs/dbraw/zinc/55/81/81/394558181.db2.gz WQGOKRJLLSMAAE-CYBMUJFWSA-N 1 0 281.425 2.074 10 0 CEAERO COCC[N@H+](C)CCCNC(=O)N[C@H](C)c1cccs1 ZINC000061259374 394568065 /nfs/dbraw/zinc/56/80/65/394568065.db2.gz WEPNDUKBNYRVLU-GFCCVEGCSA-N 1 0 299.440 2.077 10 0 CEAERO [NH3+][C@H]1CC[C@@H](Nc2nc(Br)cs2)C1 ZINC000306770965 394517677 /nfs/dbraw/zinc/51/76/77/394517677.db2.gz QYIDFESLACPCHG-NTSWFWBYSA-N 1 0 262.176 2.197 10 0 CEAERO CC[C@@H]1C[C@@H](C(=O)N(C)C[C@H]2CCC[N@@H+]2CC)CCO1 ZINC000248589342 394543677 /nfs/dbraw/zinc/54/36/77/394543677.db2.gz RKGSRNGIZNFULK-RRFJBIMHSA-N 1 0 282.428 2.134 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1CCCc2cccnc21 ZINC000248844520 394548013 /nfs/dbraw/zinc/54/80/13/394548013.db2.gz SPTRJLGTLMEBBW-KBMXLJTQSA-N 1 0 299.418 2.197 10 0 CEAERO CCc1nc(CN(C)C(=O)[C@H]([NH3+])[C@@H](C)CC)cs1 ZINC000328505056 394552631 /nfs/dbraw/zinc/55/26/31/394552631.db2.gz ZGVDMWBLZUETFI-JOYOIKCWSA-N 1 0 269.414 2.037 10 0 CEAERO [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000328558964 394553187 /nfs/dbraw/zinc/55/31/87/394553187.db2.gz DCYDJMYJDMFQDP-MHEUCROKSA-N 1 0 270.376 2.197 10 0 CEAERO CNC(=O)c1ccc([C@H]2CCCC[N@@H+]2CC2CC2)n1C ZINC000328654721 394553609 /nfs/dbraw/zinc/55/36/09/394553609.db2.gz XSOBLGOAVJVHBB-CQSZACIVSA-N 1 0 275.396 2.322 10 0 CEAERO FC(F)(F)c1cccc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)n1 ZINC000261625753 394605007 /nfs/dbraw/zinc/60/50/07/394605007.db2.gz VDRVIMMEJGVWQO-UWVGGRQHSA-N 1 0 271.286 2.289 10 0 CEAERO CCOCC[N@@H+]1CCN(CCOC(C)(C)C)C[C@H]1CC ZINC000105838548 394722516 /nfs/dbraw/zinc/72/25/16/394722516.db2.gz SQPICOIHWZRUFL-OAHLLOKOSA-N 1 0 286.460 2.234 10 0 CEAERO Cc1c2cc(F)ccc2oc1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000335718690 394793671 /nfs/dbraw/zinc/79/36/71/394793671.db2.gz WSONOMZNOKGANJ-LLVKDONJSA-N 1 0 276.311 2.444 10 0 CEAERO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H](CO)CC(F)(F)F ZINC000423011267 394881750 /nfs/dbraw/zinc/88/17/50/394881750.db2.gz ILWGXUDZHGUUDL-GRYCIOLGSA-N 1 0 282.350 2.200 10 0 CEAERO CC1(C)CC([NH2+][C@@H]2CCCNC2=O)CC(C)(C)C1 ZINC000124794317 394839987 /nfs/dbraw/zinc/83/99/87/394839987.db2.gz UGSKMLOAAPUMHV-GFCCVEGCSA-N 1 0 252.402 2.460 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc(Cl)cn2C)C1 ZINC000155473149 395028503 /nfs/dbraw/zinc/02/85/03/395028503.db2.gz FDIFRECNBGZWNH-PWSUYJOCSA-N 1 0 283.803 2.137 10 0 CEAERO CC(C)(C)c1ncc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000153377487 395006334 /nfs/dbraw/zinc/00/63/34/395006334.db2.gz YYCXHKACYRNRJI-QWRGUYRKSA-N 1 0 276.384 2.230 10 0 CEAERO C[C@@H]1CN(C(=O)CCSc2ccccc2F)C[C@@H]1[NH3+] ZINC000423939344 395030397 /nfs/dbraw/zinc/03/03/97/395030397.db2.gz AIXYVLMYQWEGSU-PWSUYJOCSA-N 1 0 282.384 2.114 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)CCOc1ccccc1Cl ZINC000423688841 394966163 /nfs/dbraw/zinc/96/61/63/394966163.db2.gz XGBOQIGOFMECNO-ZYHUDNBSSA-N 1 0 282.771 2.057 10 0 CEAERO CO[C@H]1C[C@H](CO)[N@H+](CC2CCC(C)(C)CC2)C1 ZINC000343950422 395046521 /nfs/dbraw/zinc/04/65/21/395046521.db2.gz HMGQLQKHNBIZKU-KGLIPLIRSA-N 1 0 255.402 2.284 10 0 CEAERO C[C@H]1CN(C(=O)CCSc2ccccc2F)C[C@@H]1[NH3+] ZINC000423939342 395030845 /nfs/dbraw/zinc/03/08/45/395030845.db2.gz AIXYVLMYQWEGSU-JQWIXIFHSA-N 1 0 282.384 2.114 10 0 CEAERO C[C@@H]([NH3+])CCNC(=O)c1cc(Oc2ccccc2)ccn1 ZINC000178669666 395172707 /nfs/dbraw/zinc/17/27/07/395172707.db2.gz DNMYVFGGTGSLMA-GFCCVEGCSA-N 1 0 285.347 2.341 10 0 CEAERO CC(C)n1ccc(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)n1 ZINC000398822701 395238427 /nfs/dbraw/zinc/23/84/27/395238427.db2.gz ZLPPQARMBXZTAZ-YDHLFZDLSA-N 1 0 263.385 2.057 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(C)Cc1ccsc1 ZINC000384266281 395192132 /nfs/dbraw/zinc/19/21/32/395192132.db2.gz PNQIKZIODBFIEE-JQWIXIFHSA-N 1 0 252.383 2.095 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cc(F)c(F)c(F)c1 ZINC000180602245 395205220 /nfs/dbraw/zinc/20/52/20/395205220.db2.gz RHAXNYXPDKAFLJ-WCBMZHEXSA-N 1 0 296.296 2.361 10 0 CEAERO COc1ccc(OC)c([C@H](C)N[C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000396567530 395216339 /nfs/dbraw/zinc/21/63/39/395216339.db2.gz MPISNEWIDGJPSQ-ZOWXZIJZSA-N 1 0 278.396 2.495 10 0 CEAERO C[NH2+]Cc1ccccc1CNc1ncccc1OC ZINC000404526188 395284247 /nfs/dbraw/zinc/28/42/47/395284247.db2.gz SWEFJLPIKIYGAL-UHFFFAOYSA-N 1 0 257.337 2.422 10 0 CEAERO Cc1cc(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)ccc1F ZINC000186555390 395291628 /nfs/dbraw/zinc/29/16/28/395291628.db2.gz DARVCAOOAXNFAN-CYBMUJFWSA-N 1 0 276.355 2.491 10 0 CEAERO CCC[C@@H](C(=O)N1CCS[C@H](C)CC1)[NH+](C)C ZINC000191351958 395356006 /nfs/dbraw/zinc/35/60/06/395356006.db2.gz NORMHLMFZSHGKM-NEPJUHHUSA-N 1 0 258.431 2.071 10 0 CEAERO CC(C)c1ccc([C@@H](C)[NH2+]CC(=O)N2CCNC2=O)cc1 ZINC000192855966 395394057 /nfs/dbraw/zinc/39/40/57/395394057.db2.gz FMMPUNKBDIQCIO-GFCCVEGCSA-N 1 0 289.379 2.012 10 0 CEAERO C[C@@H]1CC[C@@H](CCC(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)O1 ZINC000190746164 395343450 /nfs/dbraw/zinc/34/34/50/395343450.db2.gz PXRLPXIIDNEXJJ-IPYPFGDCSA-N 1 0 280.412 2.077 10 0 CEAERO CCC[C@]1(COC)CCC[N@@H+]1Cc1nnc(C2CC2)n1C ZINC000194924461 395453156 /nfs/dbraw/zinc/45/31/56/395453156.db2.gz BDNAGSXFWIOSEN-MRXNPFEDSA-N 1 0 292.427 2.474 10 0 CEAERO CCCCOC[C@H](O)C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000195219590 395462052 /nfs/dbraw/zinc/46/20/52/395462052.db2.gz PNFSZKNHCYQUJR-CHWSQXEVSA-N 1 0 273.417 2.100 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)/C=C\c2ccc(O)cc2)C1 ZINC000493866859 395677253 /nfs/dbraw/zinc/67/72/53/395677253.db2.gz CWNPWDNHWXIGRE-YHAOYDPOSA-N 1 0 274.364 2.006 10 0 CEAERO C[C@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)c1ccc2c(c1)CCCC2 ZINC000647912226 395773304 /nfs/dbraw/zinc/77/33/04/395773304.db2.gz FDGDIFNQLIITER-KNXALSJPSA-N 1 0 272.392 2.480 10 0 CEAERO C[N@H+](CCc1nccs1)C[C@H]1CCC[C@@H](O)C1 ZINC000647969094 395791126 /nfs/dbraw/zinc/79/11/26/395791126.db2.gz MKIBOSGVIKEINP-NWDGAFQWSA-N 1 0 254.399 2.169 10 0 CEAERO c1csc([C@@H]2CCCCN2C[C@H]2CC[NH2+]C2)n1 ZINC000649412012 396146496 /nfs/dbraw/zinc/14/64/96/396146496.db2.gz CELCIMCAQXPRBU-RYUDHWBXSA-N 1 0 251.399 2.280 10 0 CEAERO CCOC(=O)C(C(=O)OCC)[C@@H](c1ccccc1)[NH+](C)C ZINC000199851150 400297368 /nfs/dbraw/zinc/29/73/68/400297368.db2.gz MMWVJMKLVCUTGJ-CQSZACIVSA-N 1 0 293.363 2.032 10 0 CEAERO C[C@@H]1C[C@H](c2ncc(I)s2)C[NH2+]1 ZINC000306334040 400332907 /nfs/dbraw/zinc/33/29/07/400332907.db2.gz FYBRIGNQBMSURM-RITPCOANSA-N 1 0 294.161 2.213 10 0 CEAERO CC[C@@H]1CC[C@H]([NH3+])[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000306557987 400334988 /nfs/dbraw/zinc/33/49/88/400334988.db2.gz OQQGZFWOLGMXEH-DDTOSNHZSA-N 1 0 272.348 2.189 10 0 CEAERO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1conc1C ZINC000397881908 400559729 /nfs/dbraw/zinc/55/97/29/400559729.db2.gz BDTBQGSMDHYCBM-GJZGRUSLSA-N 1 0 263.385 2.432 10 0 CEAERO CCS(=O)(=O)c1ccccc1NCCC1CC[NH2+]CC1 ZINC000650312434 400868297 /nfs/dbraw/zinc/86/82/97/400868297.db2.gz XCRHDIRMKJLORK-UHFFFAOYSA-N 1 0 296.436 2.282 10 0 CEAERO CC(C)n1ccnc1CN1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000652355628 401492781 /nfs/dbraw/zinc/49/27/81/401492781.db2.gz BNIXYRLFGUFDGH-ZIAGYGMSSA-N 1 0 264.417 2.413 10 0 CEAERO CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)NC(C)C)C12CCCC2 ZINC000121236924 286245976 /nfs/dbraw/zinc/24/59/76/286245976.db2.gz YGWSAIQYJGHULY-ZIAGYGMSSA-N 1 0 282.428 2.181 10 0 CEAERO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)COC(C)(C)C)C1(C)C ZINC000133130013 286247509 /nfs/dbraw/zinc/24/75/09/286247509.db2.gz WLNGWZGOBZMGMX-BFHYXJOUSA-N 1 0 287.444 2.298 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]CCCC(C)(C)CO)C12CCOCC2 ZINC000186355434 286280196 /nfs/dbraw/zinc/28/01/96/286280196.db2.gz DFRGYIBSVAYCGF-HUUCEWRRSA-N 1 0 299.455 2.349 10 0 CEAERO CCO[C@@H]1C[C@H]([N@H+](C)CCC(=O)OC)C12CCCC2 ZINC000178717201 286332064 /nfs/dbraw/zinc/33/20/64/286332064.db2.gz XYPGGIKWQKDZDV-QWHCGFSZSA-N 1 0 269.385 2.219 10 0 CEAERO c1cn(C[C@H]2CCC[N@@H+]2Cc2ccc3c(c2)OCCO3)cn1 ZINC000188412342 153055578 /nfs/dbraw/zinc/05/55/78/153055578.db2.gz ZLMAKPPBICKMHW-OAHLLOKOSA-N 1 0 299.374 2.319 10 0 CEAERO Cc1coc(-c2cccc(NC(=O)[C@H]3C[C@H](F)C[NH2+]3)c2)n1 ZINC000188637782 153061353 /nfs/dbraw/zinc/06/13/53/153061353.db2.gz XZOPIBNDNQXOPH-WCQYABFASA-N 1 0 289.310 2.289 10 0 CEAERO CC[NH+](CC)CCCN1CCO[C@@H](c2nccs2)C1 ZINC000191490361 153177857 /nfs/dbraw/zinc/17/78/57/153177857.db2.gz KAMGBFVFHBGDKW-CYBMUJFWSA-N 1 0 283.441 2.248 10 0 CEAERO C[C@@H]([NH2+]CC(=O)NCCC1=CCCCC1)[C@H]1CCCO1 ZINC000193124283 153227149 /nfs/dbraw/zinc/22/71/49/153227149.db2.gz JCVZXNVKHMKTFI-UKRRQHHQSA-N 1 0 280.412 2.150 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccnc1OC ZINC000193438873 153230847 /nfs/dbraw/zinc/23/08/47/153230847.db2.gz YEOXZWLQZMLWMF-LSDHHAIUSA-N 1 0 275.396 2.149 10 0 CEAERO C[C@@]1(C(=O)N2C[C@@H]3CCCC[C@@H]3C2)CCC[NH2+]C1 ZINC000237569332 297865550 /nfs/dbraw/zinc/86/55/50/297865550.db2.gz WIFYAUDLANKVGT-VNHYZAJKSA-N 1 0 250.386 2.025 10 0 CEAERO O=C(CCc1ccccc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195096141 153275151 /nfs/dbraw/zinc/27/51/51/153275151.db2.gz OWPJFNGEHKPFIO-MRXNPFEDSA-N 1 0 272.392 2.316 10 0 CEAERO CSC1(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CCC1 ZINC000195101416 153275182 /nfs/dbraw/zinc/27/51/82/153275182.db2.gz AHLGCALQRFPOHB-CHWSQXEVSA-N 1 0 297.468 2.150 10 0 CEAERO O=C(c1ccc2ccccc2n1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195313821 153283310 /nfs/dbraw/zinc/28/33/10/153283310.db2.gz ULAQHTSAEJRFPI-AWEZNQCLSA-N 1 0 281.359 2.155 10 0 CEAERO O=C(CCCc1ccccc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195332849 153286022 /nfs/dbraw/zinc/28/60/22/153286022.db2.gz MHTUZFIRNAXRTJ-MRXNPFEDSA-N 1 0 272.392 2.316 10 0 CEAERO O=C(CC[NH+]1CCC(c2cc[nH]n2)CC1)NC1CCCC1 ZINC000195507051 153291763 /nfs/dbraw/zinc/29/17/63/153291763.db2.gz HMSHSEKBYGXRFG-UHFFFAOYSA-N 1 0 290.411 2.038 10 0 CEAERO CC1(C)[C@H]([NH2+][C@@H]2CCCC[C@@H]2O)[C@@H]2CCCO[C@H]21 ZINC000227084243 153339033 /nfs/dbraw/zinc/33/90/33/153339033.db2.gz LQMXSGAZXKWTAJ-MEBFFEOJSA-N 1 0 253.386 2.083 10 0 CEAERO CCOc1ccc(OCC[N@@H+]2CC[C@@H](CCO)C2)cc1 ZINC000227568408 153347231 /nfs/dbraw/zinc/34/72/31/153347231.db2.gz NTXXTGXWPNVUHH-AWEZNQCLSA-N 1 0 279.380 2.168 10 0 CEAERO Cc1cnc([C@H](C)N[C@@H](C)C(=O)N2CCCCCC2)o1 ZINC000230644141 153393359 /nfs/dbraw/zinc/39/33/59/153393359.db2.gz PSTFLGDJUKRFOS-STQMWFEESA-N 1 0 279.384 2.425 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)C(CC)CC)C12CCOCC2 ZINC000248907924 286388318 /nfs/dbraw/zinc/38/83/18/286388318.db2.gz BKPHVCJSLHQCKM-OWCLPIDISA-N 1 0 299.455 2.347 10 0 CEAERO FC(F)c1nnc(N2CCC([C@@H]3CCC[NH2+]3)CC2)s1 ZINC000261572974 153768599 /nfs/dbraw/zinc/76/85/99/153768599.db2.gz ALBWWGFNQSQXMM-VIFPVBQESA-N 1 0 288.367 2.444 10 0 CEAERO C[C@H](CC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)C(C)(C)C ZINC000261577410 153771560 /nfs/dbraw/zinc/77/15/60/153771560.db2.gz OHCARMOXVGSAEO-UPJWGTAASA-N 1 0 252.402 2.127 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)CCCOC)C12CCOCC2 ZINC000248653660 286401261 /nfs/dbraw/zinc/40/12/61/286401261.db2.gz ZDBSRRDXPYDAQB-QLFBSQMISA-N 1 0 285.428 2.365 10 0 CEAERO CC1(C)CN(C(=O)Cc2cccc(F)c2F)CC[C@@H]1[NH3+] ZINC000261694196 153813262 /nfs/dbraw/zinc/81/32/62/153813262.db2.gz HUPBHJZJTNHRLX-LBPRGKRZSA-N 1 0 282.334 2.093 10 0 CEAERO COc1ccc(-c2noc([C@H]3CCC[C@H]([NH3+])C3)n2)cn1 ZINC000261802875 153845571 /nfs/dbraw/zinc/84/55/71/153845571.db2.gz RNYWFICALRQJHX-ONGXEEELSA-N 1 0 274.324 2.125 10 0 CEAERO CCO[C@@H]1C[C@@H](N(C)C(=O)C[NH2+]CC2CC2)C12CCCC2 ZINC000262616428 153967015 /nfs/dbraw/zinc/96/70/15/153967015.db2.gz LEKKRBRRPYGNJX-HUUCEWRRSA-N 1 0 294.439 2.182 10 0 CEAERO Cc1cc(-c2nc([C@H]3C[NH2+]CCN3C)no2)ccc1Cl ZINC000263162386 154026919 /nfs/dbraw/zinc/02/69/19/154026919.db2.gz DXPHXKGULBYJAK-GFCCVEGCSA-N 1 0 292.770 2.275 10 0 CEAERO Cc1cccc(/C=C/c2nc([C@H]3C[NH2+]CCN3C)no2)c1 ZINC000263211831 154036328 /nfs/dbraw/zinc/03/63/28/154036328.db2.gz KKARKQDVLYKJKI-PSKZRQQASA-N 1 0 284.363 2.125 10 0 CEAERO O=C(NCC1(Cc2ccccc2)CCCC1)C1C[NH2+]C1 ZINC000263256848 154045098 /nfs/dbraw/zinc/04/50/98/154045098.db2.gz FQSLBTOYEFTFNK-UHFFFAOYSA-N 1 0 272.392 2.125 10 0 CEAERO COCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000248622866 292354446 /nfs/dbraw/zinc/35/44/46/292354446.db2.gz UDBCYPJCOOUJEQ-MJBXVCDLSA-N 1 0 298.427 2.258 10 0 CEAERO C[C@H](Nc1ccc(C(F)(F)F)nn1)[C@@H]1CCC[NH2+]C1 ZINC000167111533 162358471 /nfs/dbraw/zinc/35/84/71/162358471.db2.gz GBRBWZRYNTZJGW-DTWKUNHWSA-N 1 0 274.290 2.295 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1cc(F)c(Cl)cc1F ZINC000167653086 162361757 /nfs/dbraw/zinc/36/17/57/162361757.db2.gz YCRYDZURJHHPKR-KRTXAFLBSA-N 1 0 288.725 2.475 10 0 CEAERO C[C@@H](O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc3c2OCOC3)C1 ZINC000168427304 162365557 /nfs/dbraw/zinc/36/55/57/162365557.db2.gz NPTKZKROWGSITQ-GHMZBOCLSA-N 1 0 297.782 2.409 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]2C2CCC2)C1 ZINC000170833164 162374910 /nfs/dbraw/zinc/37/49/10/162374910.db2.gz XHROFSWUHSLWGS-LSDHHAIUSA-N 1 0 279.428 2.445 10 0 CEAERO Cc1ccccc1CCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171807187 162390270 /nfs/dbraw/zinc/39/02/70/162390270.db2.gz UQRGLOSQZOMUBC-INIZCTEOSA-N 1 0 287.407 2.027 10 0 CEAERO CC[C@@H]([NH3+])c1c(C)nn(Cc2cnn(CC)c2)c1C ZINC000054716682 522655703 /nfs/dbraw/zinc/65/57/03/522655703.db2.gz GWRGGIWFTKJMTD-CYBMUJFWSA-N 1 0 261.373 2.174 10 0 CEAERO CCn1c(C)nnc1CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000170784610 165044267 /nfs/dbraw/zinc/04/42/67/165044267.db2.gz BTQAKOVWXBIVCD-HNNXBMFYSA-N 1 0 291.443 2.057 10 0 CEAERO C[NH+](C)C[C@H]1CN(C(=O)CCCC2CCCC2)CCO1 ZINC000173522794 165074416 /nfs/dbraw/zinc/07/44/16/165074416.db2.gz VXZLYNWAXKVSTN-HNNXBMFYSA-N 1 0 282.428 2.136 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cc2ccccc2[nH]c1=O ZINC000175346423 165133824 /nfs/dbraw/zinc/13/38/24/165133824.db2.gz OGFPKIVZZSDVLA-INIZCTEOSA-N 1 0 299.418 2.444 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1sc(C)nc1C ZINC000176986042 165182471 /nfs/dbraw/zinc/18/24/71/165182471.db2.gz AVCDGHKNCHVMSU-LBPRGKRZSA-N 1 0 281.425 2.316 10 0 CEAERO C[C@@H]([NH3+])CCNC(=O)c1cncc(-c2ccccc2)c1 ZINC000178658860 165252647 /nfs/dbraw/zinc/25/26/47/165252647.db2.gz OUELVGMJRIRHCR-GFCCVEGCSA-N 1 0 269.348 2.216 10 0 CEAERO C[C@@H]([NH3+])CCNC(=O)COc1cc(Cl)cc(Cl)c1 ZINC000178645860 165253805 /nfs/dbraw/zinc/25/38/05/165253805.db2.gz VKZMPYHMLXUSGM-MRVPVSSYSA-N 1 0 291.178 2.226 10 0 CEAERO CCCC(O)(CCC)CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178800476 165260769 /nfs/dbraw/zinc/26/07/69/165260769.db2.gz QMXORISPQKTKOD-CQSZACIVSA-N 1 0 282.428 2.014 10 0 CEAERO O=C(NCC1(C2CC2)CCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000179100585 165266025 /nfs/dbraw/zinc/26/60/25/165266025.db2.gz OLGVRHLGWDEEBE-AWEZNQCLSA-N 1 0 277.412 2.056 10 0 CEAERO O=C(c1cnc2ccc(F)cc2c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179342333 165275439 /nfs/dbraw/zinc/27/54/39/165275439.db2.gz TXVIAYQECUXVDK-OAHLLOKOSA-N 1 0 299.349 2.294 10 0 CEAERO CC(C)c1nnc2n1C[C@H]([NH2+]C(C1CC1)C1CC1)CC2 ZINC000180527961 165312789 /nfs/dbraw/zinc/31/27/89/165312789.db2.gz RIMXYJDCIUJWDO-CYBMUJFWSA-N 1 0 274.412 2.495 10 0 CEAERO COC[C@H](C)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181454667 165346512 /nfs/dbraw/zinc/34/65/12/165346512.db2.gz WWONEMVBIROZOK-BFHYXJOUSA-N 1 0 282.428 2.038 10 0 CEAERO Cc1nn(C)cc1[C@@H](C)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000181655047 165354091 /nfs/dbraw/zinc/35/40/91/165354091.db2.gz AWOCCLAMRGEWMT-UKRRQHHQSA-N 1 0 278.444 2.500 10 0 CEAERO CCOC(=O)[C@H](CC(C)C)N1CCS[C@H](C)C1 ZINC000182130337 165367198 /nfs/dbraw/zinc/36/71/98/165367198.db2.gz AJJOMWCUOKLVFR-NEPJUHHUSA-N 1 0 259.415 2.402 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCOC(C)C ZINC000182952664 165377927 /nfs/dbraw/zinc/37/79/27/165377927.db2.gz UGSJUYTZCBAVEJ-HUUCEWRRSA-N 1 0 282.428 2.277 10 0 CEAERO O=C(/C=C/c1cccc(O)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000183502629 165397266 /nfs/dbraw/zinc/39/72/66/165397266.db2.gz DTARSGWWAMCZBC-KIUWMYQTSA-N 1 0 286.375 2.102 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H](C)CCCOC ZINC000246224228 287227862 /nfs/dbraw/zinc/22/78/62/287227862.db2.gz ZIETXBVLZXWDLE-KFWWJZLASA-N 1 0 282.428 2.134 10 0 CEAERO CC(C)(C)c1ccccc1OCC[C@](C)(O)C[NH3+] ZINC000019668255 170834487 /nfs/dbraw/zinc/83/44/87/170834487.db2.gz LADZJDMCVIQYGX-HNNXBMFYSA-N 1 0 251.370 2.463 10 0 CEAERO CC[C@@H]([NH3+])c1ccccc1O[C@H]1CCCCNC1=O ZINC000019813325 170880025 /nfs/dbraw/zinc/88/00/25/170880025.db2.gz DYTIPFJBKDETCL-OCCSQVGLSA-N 1 0 262.353 2.144 10 0 CEAERO COc1cccc(CC(=O)N(C)CC[C@H]2CCCC[NH2+]2)c1 ZINC000019843799 170892081 /nfs/dbraw/zinc/89/20/81/170892081.db2.gz CCIPILXFRGQYFG-OAHLLOKOSA-N 1 0 290.407 2.228 10 0 CEAERO C[C@H](C(=O)Nc1ccccc1C(C)(C)C)N1CC[NH2+]CC1 ZINC000019977373 170957416 /nfs/dbraw/zinc/95/74/16/170957416.db2.gz UDNLPGXJJNVAQB-CYBMUJFWSA-N 1 0 289.423 2.216 10 0 CEAERO COc1cc([C@@H](C)[NH2+]CCN2CCCC2)ccc1O ZINC000020126909 171012295 /nfs/dbraw/zinc/01/22/95/171012295.db2.gz DYMRJPFYVKLQID-GFCCVEGCSA-N 1 0 264.369 2.147 10 0 CEAERO CCCN(CCC)S(=O)(=O)c1cc(C[NH3+])ccc1F ZINC000020188928 171054368 /nfs/dbraw/zinc/05/43/68/171054368.db2.gz YSMOWOORMKDYDE-UHFFFAOYSA-N 1 0 288.388 2.095 10 0 CEAERO CCOc1cc([C@H](O)[C@H](C)[NH3+])ccc1OC(F)F ZINC000020216801 171079156 /nfs/dbraw/zinc/07/91/56/171079156.db2.gz CCBNZKPZGUIFTB-WRWORJQWSA-N 1 0 261.268 2.067 10 0 CEAERO C[N@@H+]1CCCN(c2cccc(Cl)c2C=O)CC1 ZINC000020217807 171081113 /nfs/dbraw/zinc/08/11/13/171081113.db2.gz LSKJIJPWWPZQKW-UHFFFAOYSA-N 1 0 252.745 2.294 10 0 CEAERO CCN(CC)[C@@H](C[NH2+][C@H](C)C(=O)N(C)C)c1ccccc1 ZINC000020310093 171143964 /nfs/dbraw/zinc/14/39/64/171143964.db2.gz MIOGQSKCSIKGEG-ZBFHGGJFSA-N 1 0 291.439 2.136 10 0 CEAERO C[C@H](NCCC[N@@H+]1CCCC[C@@H]1C)C(=O)NC(C)(C)C ZINC000020358550 171157579 /nfs/dbraw/zinc/15/75/79/171157579.db2.gz BBDARWCNTUKTAL-KBPBESRZSA-N 1 0 283.460 2.144 10 0 CEAERO Cc1ccc(NC(=O)[C@H]2CC[C@@H](C)[NH2+]C2)c(F)c1 ZINC000020372715 171168827 /nfs/dbraw/zinc/16/88/27/171168827.db2.gz VKOVFQFHOPJYPO-MNOVXSKESA-N 1 0 250.317 2.461 10 0 CEAERO [NH3+]CC[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000020399900 171181659 /nfs/dbraw/zinc/18/16/59/171181659.db2.gz QSNXDWBUNXDGJJ-OAHLLOKOSA-N 1 0 257.333 2.442 10 0 CEAERO CC(C)[C@@H](C)NS(=O)(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000020523648 171236111 /nfs/dbraw/zinc/23/61/11/171236111.db2.gz UCQGWNPZTJBBQU-WDEREUQCSA-N 1 0 270.398 2.029 10 0 CEAERO COc1cccc(OC)c1OCCC[NH2+]C(C)C ZINC000020525022 171238226 /nfs/dbraw/zinc/23/82/26/171238226.db2.gz ZPFFHXLGMJCSDZ-UHFFFAOYSA-N 1 0 253.342 2.471 10 0 CEAERO C[C@@H](C(=O)Nc1cccc(N)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000022151519 171358463 /nfs/dbraw/zinc/35/84/63/171358463.db2.gz WUSAXKUDKVMALV-RYUDHWBXSA-N 1 0 261.369 2.328 10 0 CEAERO C[C@@H](C(=O)Nc1ccc(F)cc1N)[N@@H+]1CCC[C@@H](C)C1 ZINC000022154666 171361849 /nfs/dbraw/zinc/36/18/49/171361849.db2.gz VLWSQOMVYSKTNR-MNOVXSKESA-N 1 0 279.359 2.467 10 0 CEAERO C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000022163033 171364541 /nfs/dbraw/zinc/36/45/41/171364541.db2.gz RXOHXYNRGHWVIZ-RISCZKNCSA-N 1 0 282.409 2.002 10 0 CEAERO COc1ccc([C@@H](C[NH3+])N2CCCC2)cc1OC(F)F ZINC000022173039 171368758 /nfs/dbraw/zinc/36/87/58/171368758.db2.gz SLHISBQKWOODTN-LLVKDONJSA-N 1 0 286.322 2.392 10 0 CEAERO COc1ccc(NC(=O)C[N@H+]2C[C@H](C)C[C@H](C)C2)c(N)c1 ZINC000022212663 171374157 /nfs/dbraw/zinc/37/41/57/171374157.db2.gz UDPSHZULUILXHQ-TXEJJXNPSA-N 1 0 291.395 2.194 10 0 CEAERO COc1cccc([C@H](C[NH3+])N(C)C(C)C)c1OC ZINC000022220026 171377074 /nfs/dbraw/zinc/37/70/74/171377074.db2.gz YYQBEHJHNQVACE-LBPRGKRZSA-N 1 0 252.358 2.044 10 0 CEAERO C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc(C[NH3+])c1 ZINC000022219733 171377478 /nfs/dbraw/zinc/37/74/78/171377478.db2.gz MDKFJIDDDJBYJN-RISCZKNCSA-N 1 0 282.409 2.002 10 0 CEAERO CC[NH2+]C[C@@H](O)COc1cccc(C(C)(C)C)c1 ZINC000032106896 171698727 /nfs/dbraw/zinc/69/87/27/171698727.db2.gz GDAAPXUIMFLYGG-CYBMUJFWSA-N 1 0 251.370 2.333 10 0 CEAERO CCCN(Cc1ccc(Cl)cc1)C(=O)CC[NH3+] ZINC000032108426 171700473 /nfs/dbraw/zinc/70/04/73/171700473.db2.gz VEZFBIAOGRTRIU-UHFFFAOYSA-N 1 0 254.761 2.427 10 0 CEAERO COc1ccc([C@@H](O)C[NH2+]C2CCCC2)cc1OC ZINC000032113979 171707273 /nfs/dbraw/zinc/70/72/73/171707273.db2.gz QHUNZRSDSQYUJV-ZDUSSCGKSA-N 1 0 265.353 2.269 10 0 CEAERO COC[C@@H](C)[NH2+]CC(=O)Nc1cc(Cl)ccc1C ZINC000035159881 172017815 /nfs/dbraw/zinc/01/78/15/172017815.db2.gz JYUOGLCLGVHHTO-SNVBAGLBSA-N 1 0 270.760 2.211 10 0 CEAERO CC(C)CNC(=O)C[NH2+][C@@H]1CCCc2ccccc21 ZINC000035179182 172032635 /nfs/dbraw/zinc/03/26/35/172032635.db2.gz OTHIMNVVCWPJJM-OAHLLOKOSA-N 1 0 260.381 2.426 10 0 CEAERO CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H]1CCOc2ccccc21 ZINC000035224765 172069257 /nfs/dbraw/zinc/06/92/57/172069257.db2.gz AWVGXLANOGNAPP-TZMCWYRMSA-N 1 0 276.380 2.357 10 0 CEAERO COc1ccc(CCNC2=[NH+][C@H](C)CS2)cc1OC ZINC000035294372 172106059 /nfs/dbraw/zinc/10/60/59/172106059.db2.gz DVPJKNZUQNAWJU-SNVBAGLBSA-N 1 0 280.393 2.327 10 0 CEAERO C[C@H](CCc1ccco1)[NH2+]CCC(=O)N1CCCC1 ZINC000035451577 172205091 /nfs/dbraw/zinc/20/50/91/172205091.db2.gz AEUPXVVRQOTTFM-CYBMUJFWSA-N 1 0 264.369 2.203 10 0 CEAERO C[NH2+][C@H](C)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000035633515 172317018 /nfs/dbraw/zinc/31/70/18/172317018.db2.gz UOVLFAKVTQDGAX-GFCCVEGCSA-N 1 0 282.409 2.142 10 0 CEAERO CC[NH2+][C@@H](C)c1cccc(NC(=O)COCC)c1 ZINC000035635388 172320011 /nfs/dbraw/zinc/32/00/11/172320011.db2.gz OGHDIFDUYUIBGA-NSHDSACASA-N 1 0 250.342 2.332 10 0 CEAERO CC(C)c1ccc2c(c1)[C@H]([NH3+])C[C@@H](C)S2(=O)=O ZINC000035752300 172397129 /nfs/dbraw/zinc/39/71/29/172397129.db2.gz AGKVPIWLHNKXSZ-BXKDBHETSA-N 1 0 253.367 2.376 10 0 CEAERO CC(C)[NH2+][C@@H]1CCCS(=O)(=O)c2ccc(F)cc21 ZINC000035761524 172399357 /nfs/dbraw/zinc/39/93/57/172399357.db2.gz CFQUGIXWWPUMPE-GFCCVEGCSA-N 1 0 271.357 2.432 10 0 CEAERO CC[NH+](CC)CCNc1ncc(Br)cc1N ZINC000036226314 172523549 /nfs/dbraw/zinc/52/35/49/172523549.db2.gz IHXFTHFHIDCFRV-UHFFFAOYSA-N 1 0 287.205 2.180 10 0 CEAERO C[C@H]1CCCC[C@@H]1NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000036757186 172681254 /nfs/dbraw/zinc/68/12/54/172681254.db2.gz OIZBRTBOIPSKSG-IHRRRGAJSA-N 1 0 252.402 2.461 10 0 CEAERO O=C(c1cnn(-c2ccccc2)c1)[C@H]1CCC[NH2+]C1 ZINC000036893109 172784947 /nfs/dbraw/zinc/78/49/47/172784947.db2.gz ZPDYWTGIMBGKTI-LBPRGKRZSA-N 1 0 255.321 2.055 10 0 CEAERO CC(C)C[C@@H](CN(C)C)[NH2+]Cc1cccc2c1OCO2 ZINC000037166628 173000543 /nfs/dbraw/zinc/00/05/43/173000543.db2.gz PKWLFUZLMWMAKF-AWEZNQCLSA-N 1 0 278.396 2.481 10 0 CEAERO CN([C@@H](C[NH3+])c1ccccc1F)[C@H]1CCSC1 ZINC000037174656 173009528 /nfs/dbraw/zinc/00/95/28/173009528.db2.gz PPNRMZIFUNCARH-GWCFXTLKSA-N 1 0 254.374 2.263 10 0 CEAERO CO[C@@H]1C[NH2+][C@@H](c2nc3cc(F)ccc3s2)C1 ZINC000037205132 173027377 /nfs/dbraw/zinc/02/73/77/173027377.db2.gz PWPGGJIZUWAGER-WCBMZHEXSA-N 1 0 252.314 2.485 10 0 CEAERO CC(C)COc1ccc([C@H](C)[NH2+]CC(=O)N(C)C)cc1 ZINC000037225305 173045692 /nfs/dbraw/zinc/04/56/92/173045692.db2.gz ZPGRAFCVQHTJPL-ZDUSSCGKSA-N 1 0 278.396 2.460 10 0 CEAERO CC(=O)NCC[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000037235682 173053160 /nfs/dbraw/zinc/05/31/60/173053160.db2.gz OTRZMMMVKQTFSY-QMMMGPOBSA-N 1 0 258.724 2.266 10 0 CEAERO CC(=O)NCC[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000037235774 173054305 /nfs/dbraw/zinc/05/43/05/173054305.db2.gz BOXGXDFUWWDIIF-CQSZACIVSA-N 1 0 250.317 2.003 10 0 CEAERO C[C@H](CO)[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000037258738 173069318 /nfs/dbraw/zinc/06/93/18/173069318.db2.gz NFLRNKHZPHHOET-LDYMZIIASA-N 1 0 286.169 2.243 10 0 CEAERO NC(=O)CC[NH2+][C@H]1CCOc2c(Cl)cc(Cl)cc21 ZINC000037262113 173071754 /nfs/dbraw/zinc/07/17/54/173071754.db2.gz KPNWCYFFVUQZHH-JTQLQIEISA-N 1 0 289.162 2.282 10 0 CEAERO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@H](C)C(N)=O ZINC000037261532 173071923 /nfs/dbraw/zinc/07/19/23/173071923.db2.gz CAUSTAVRHGRZLE-VXNVDRBHSA-N 1 0 269.414 2.273 10 0 CEAERO Cc1cccc([C@@H](C)[NH2+]C2CCS(=O)(=O)CC2)c1 ZINC000037269915 173080951 /nfs/dbraw/zinc/08/09/51/173080951.db2.gz HAQUIMQNIMLKCY-GFCCVEGCSA-N 1 0 267.394 2.223 10 0 CEAERO C[C@@H]([NH2+][C@@]1(C)CCS(=O)(=O)C1)C1CCCCC1 ZINC000037276284 173087632 /nfs/dbraw/zinc/08/76/32/173087632.db2.gz XXSBDAQJOUPYST-YPMHNXCESA-N 1 0 259.415 2.122 10 0 CEAERO COc1ccc2[nH]cc([C@H](O)C3CC[NH2+]CC3)c2c1 ZINC000037330579 173132091 /nfs/dbraw/zinc/13/20/91/173132091.db2.gz MBRQINUJOODXHX-OAHLLOKOSA-N 1 0 260.337 2.210 10 0 CEAERO CC[C@@H](C(=O)c1ccccc1)N1CCC[N@H+](C)CC1 ZINC000037333672 173135738 /nfs/dbraw/zinc/13/57/38/173135738.db2.gz UCJNZFUVCAWOEV-HNNXBMFYSA-N 1 0 260.381 2.285 10 0 CEAERO CCCn1c2c(cccc2Cl)nc1[C@H]([NH3+])[C@H](C)O ZINC000037444142 173211917 /nfs/dbraw/zinc/21/19/17/173211917.db2.gz QYPFSFJGEBNZAS-GZMMTYOYSA-N 1 0 267.760 2.480 10 0 CEAERO CCCn1c2c(cccc2Cl)nc1[C@@H]([NH3+])CO ZINC000037444171 173212024 /nfs/dbraw/zinc/21/20/24/173212024.db2.gz GJXFJIHQZSUGMG-VIFPVBQESA-N 1 0 253.733 2.092 10 0 CEAERO C[C@@H](NC(=O)C[C@H](C)[NH3+])c1cccc(Br)c1 ZINC000037476504 173228347 /nfs/dbraw/zinc/22/83/47/173228347.db2.gz WGJRROFXXPGZEJ-DTWKUNHWSA-N 1 0 285.185 2.364 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000037498147 173237157 /nfs/dbraw/zinc/23/71/57/173237157.db2.gz WHMDHFNAZCZBOU-LBPRGKRZSA-N 1 0 285.391 2.441 10 0 CEAERO CCN(C(=O)c1ccccc1F)[C@H]1CCC[NH2+]C1 ZINC000037541231 173263343 /nfs/dbraw/zinc/26/33/43/173263343.db2.gz BIYAUTBJDOYTHX-NSHDSACASA-N 1 0 250.317 2.040 10 0 CEAERO CCC[NH2+]Cc1cccc(OCC(=O)OCC)c1 ZINC000037704077 173626292 /nfs/dbraw/zinc/62/62/92/173626292.db2.gz UBODVLIZVVPYII-UHFFFAOYSA-N 1 0 251.326 2.128 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(OC[C@H](C)O)c(OC)c1 ZINC000037706213 173627547 /nfs/dbraw/zinc/62/75/47/173627547.db2.gz GKTBSYDIHRMDEQ-WDEREUQCSA-N 1 0 253.342 2.125 10 0 CEAERO CCN(C(=O)CCC[NH2+]C)[C@@H](C)c1cccc(O)c1 ZINC000037827120 173784493 /nfs/dbraw/zinc/78/44/93/173784493.db2.gz PYXJFHYLHSICQK-LBPRGKRZSA-N 1 0 264.369 2.301 10 0 CEAERO CC(C)[NH+](CCNC[C@@H](O)c1ccco1)C(C)C ZINC000037862853 173812250 /nfs/dbraw/zinc/81/22/50/173812250.db2.gz WZTHMUQRFJHKRT-CYBMUJFWSA-N 1 0 254.374 2.021 10 0 CEAERO CCCCCC[C@@](C)(C(=O)OCC)N1CC[NH2+]CC1 ZINC000037964194 173907480 /nfs/dbraw/zinc/90/74/80/173907480.db2.gz FZDMXPUQVGEXQT-HNNXBMFYSA-N 1 0 270.417 2.184 10 0 CEAERO COc1ccccc1OC[C@@H](O)C[NH2+]CCCC(C)C ZINC000037984796 173945768 /nfs/dbraw/zinc/94/57/68/173945768.db2.gz KTQUVUAHPMCZDV-AWEZNQCLSA-N 1 0 281.396 2.461 10 0 CEAERO [NH3+]CCN(Cc1ccccc1)C(=O)Cc1cccc(F)c1 ZINC000038033053 174029858 /nfs/dbraw/zinc/02/98/58/174029858.db2.gz GREKNXAFPKWFOO-UHFFFAOYSA-N 1 0 286.350 2.356 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)cc1F ZINC000038049415 174060574 /nfs/dbraw/zinc/06/05/74/174060574.db2.gz AXIFAXMDZOFLJO-RYUDHWBXSA-N 1 0 270.735 2.479 10 0 CEAERO COc1ccc(CCC(=O)N[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000038049411 174060613 /nfs/dbraw/zinc/06/06/13/174060613.db2.gz KDXWFUKEVZJGHL-GJZGRUSLSA-N 1 0 276.380 2.014 10 0 CEAERO CC(C)(C(=O)N[C@H]1CCCC[C@@H]1[NH3+])c1ccccc1 ZINC000038049359 174060647 /nfs/dbraw/zinc/06/06/47/174060647.db2.gz YHZRMDQAGSLGIZ-KBPBESRZSA-N 1 0 260.381 2.350 10 0 CEAERO NC(=[NH2+])c1ccc(Cn2cc(Br)cn2)c(F)c1 ZINC000038054400 174065957 /nfs/dbraw/zinc/06/59/57/174065957.db2.gz HXKSVKPMCSICSN-UHFFFAOYSA-N 1 0 297.131 2.117 10 0 CEAERO O=C(CC1CC[NH2+]CC1)Nc1cccnc1Cl ZINC000038075327 174085103 /nfs/dbraw/zinc/08/51/03/174085103.db2.gz UDYJTOAOHSQGKZ-UHFFFAOYSA-N 1 0 253.733 2.063 10 0 CEAERO C[NH2+]C1CCC(NC(=O)Nc2cccc(F)c2)CC1 ZINC000038076385 174086823 /nfs/dbraw/zinc/08/68/23/174086823.db2.gz XLAKTDCMDALVAI-UHFFFAOYSA-N 1 0 265.332 2.478 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)N(C)C)CCO2 ZINC000038087430 174099874 /nfs/dbraw/zinc/09/98/74/174099874.db2.gz FZHITJRFCFOYQA-BXUZGUMPSA-N 1 0 264.369 2.059 10 0 CEAERO C[C@@H]1c2ccsc2CCN1C(=O)[C@@H]1CCCC[NH2+]1 ZINC000038100813 174115544 /nfs/dbraw/zinc/11/55/44/174115544.db2.gz SANQQWAREVLCPH-PWSUYJOCSA-N 1 0 264.394 2.336 10 0 CEAERO CC(C)[C@H](C[NH2+]Cc1ccccc1)N1CCOCC1 ZINC000040165714 174197634 /nfs/dbraw/zinc/19/76/34/174197634.db2.gz XZTXZGHNGRTQSZ-INIZCTEOSA-N 1 0 262.397 2.133 10 0 CEAERO COc1ccc(C[NH2+]C[C@H](C(C)C)N2CCOCC2)cc1 ZINC000040165717 174197707 /nfs/dbraw/zinc/19/77/07/174197707.db2.gz JFDMGUAJBRQWTC-QGZVFWFLSA-N 1 0 292.423 2.142 10 0 CEAERO CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@H](C)c1ccccc1F ZINC000040490589 174291766 /nfs/dbraw/zinc/29/17/66/174291766.db2.gz IWXAHJQIUDEGFK-BREBYQMCSA-N 1 0 252.333 2.376 10 0 CEAERO COC(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000040491082 174292347 /nfs/dbraw/zinc/29/23/47/174292347.db2.gz LHQOARUMXRQGBM-MNOVXSKESA-N 1 0 281.352 2.306 10 0 CEAERO COc1ccc([C@@H](C)[NH2+]C[C@H](O)COC(C)C)cc1OC ZINC000040491058 174292539 /nfs/dbraw/zinc/29/25/39/174292539.db2.gz VSOOHOQFUFXNGM-OCCSQVGLSA-N 1 0 297.395 2.140 10 0 CEAERO Cc1ccc(OC[C@@H](O)C[NH2+]CC(C)(C)C)cc1 ZINC000040493533 174293527 /nfs/dbraw/zinc/29/35/27/174293527.db2.gz VEJOSCBVDRYWQW-ZDUSSCGKSA-N 1 0 251.370 2.370 10 0 CEAERO Cc1ccccc1OC[C@@H](O)C[NH2+]CC(C)(C)C ZINC000040493543 174293549 /nfs/dbraw/zinc/29/35/49/174293549.db2.gz DJXFENLAUAGJCR-ZDUSSCGKSA-N 1 0 251.370 2.370 10 0 CEAERO CCN1CCC[C@H]([NH2+]Cc2ccc(-n3cccn3)cc2)C1 ZINC000040502931 174298969 /nfs/dbraw/zinc/29/89/69/174298969.db2.gz YFQVDRBVKHZOKX-INIZCTEOSA-N 1 0 284.407 2.446 10 0 CEAERO CCCCOCC[NH2+]Cc1ccccc1C(=O)OC ZINC000040506829 174301998 /nfs/dbraw/zinc/30/19/98/174301998.db2.gz YAMZEMXQIUDRIO-UHFFFAOYSA-N 1 0 265.353 2.380 10 0 CEAERO Cc1cc(C)c(C(N)=[NH2+])c(N(C)CCc2ccccn2)n1 ZINC000040515071 174306570 /nfs/dbraw/zinc/30/65/70/174306570.db2.gz BEIHTCHSFVTQKH-UHFFFAOYSA-N 1 0 283.379 2.056 10 0 CEAERO CSCC[C@H]([NH3+])C(=O)N[C@@H](C)c1sc(C)nc1C ZINC000040519081 174308506 /nfs/dbraw/zinc/30/85/06/174308506.db2.gz BXUIYHXJSVSLRZ-WPRPVWTQSA-N 1 0 287.454 2.018 10 0 CEAERO C[NH2+]C[C@@H]1CCCN(Cc2noc(-c3ccsc3)n2)C1 ZINC000040600293 174350350 /nfs/dbraw/zinc/35/03/50/174350350.db2.gz MQDGWCJZWHDPIH-NSHDSACASA-N 1 0 292.408 2.230 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2ccccc2C(C)(C)C)C1 ZINC000040632875 174359140 /nfs/dbraw/zinc/35/91/40/174359140.db2.gz DXJUXCSBFUSUCR-FZMZJTMJSA-N 1 0 276.380 2.300 10 0 CEAERO Cc1cc(C[NH2+]CCc2nccn2C)cc(C)c1O ZINC000040638976 174362793 /nfs/dbraw/zinc/36/27/93/174362793.db2.gz JAINSTWFOSSROJ-UHFFFAOYSA-N 1 0 259.353 2.075 10 0 CEAERO Cn1ccnc1CC[NH2+][C@H]1CCc2ccccc2C1 ZINC000040639220 174363707 /nfs/dbraw/zinc/36/37/07/174363707.db2.gz XRNFQAKGVFUYJS-HNNXBMFYSA-N 1 0 255.365 2.110 10 0 CEAERO CC(C)(CNC(=O)CCc1ccco1)[NH+]1CCCC1 ZINC000040654511 174365400 /nfs/dbraw/zinc/36/54/00/174365400.db2.gz SCEUCTBVJZOCQK-UHFFFAOYSA-N 1 0 264.369 2.203 10 0 CEAERO C[C@@H]1CCC[C@@](CNCC(=O)NC(C)(C)C)([NH+](C)C)C1 ZINC000040669664 174368138 /nfs/dbraw/zinc/36/81/38/174368138.db2.gz QAVAGFVBQYHUMM-CZUORRHYSA-N 1 0 283.460 2.001 10 0 CEAERO CCOC1CC[NH+](CCC(=O)Nc2ccccc2N)CC1 ZINC000040678318 174374388 /nfs/dbraw/zinc/37/43/88/174374388.db2.gz HHBFBRORHVAGOQ-UHFFFAOYSA-N 1 0 291.395 2.098 10 0 CEAERO CCOC1CCN(C[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000040690150 174377043 /nfs/dbraw/zinc/37/70/43/174377043.db2.gz CQJHTXSRZOMUHU-MRXNPFEDSA-N 1 0 274.408 2.202 10 0 CEAERO NC(=S)CCCN1CCC([NH+]2CCCCC2)CC1 ZINC000040694040 174377976 /nfs/dbraw/zinc/37/79/76/174377976.db2.gz GBVRYTUAEAZGAE-UHFFFAOYSA-N 1 0 269.458 2.003 10 0 CEAERO Cc1nn(C)c(Oc2cccc(N(C)C)c2)c1C[NH3+] ZINC000040714936 174382523 /nfs/dbraw/zinc/38/25/23/174382523.db2.gz GBBWVZFGYLLVRE-UHFFFAOYSA-N 1 0 260.341 2.046 10 0 CEAERO C[NH2+]Cc1c(C)nn(C)c1Oc1cccc(N(C)C)c1 ZINC000040714917 174382538 /nfs/dbraw/zinc/38/25/38/174382538.db2.gz AGAIARTZRRMIBC-UHFFFAOYSA-N 1 0 274.368 2.306 10 0 CEAERO C[C@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2N)C1 ZINC000040716813 174384031 /nfs/dbraw/zinc/38/40/31/174384031.db2.gz LOXLWPSMZHQJQV-VIFPVBQESA-N 1 0 267.760 2.203 10 0 CEAERO CCc1c(C)nn(-c2nc3sccn3c2C[NH2+]C)c1C ZINC000040733397 174388653 /nfs/dbraw/zinc/38/86/53/174388653.db2.gz USAKPOPFIFRSSA-UHFFFAOYSA-N 1 0 289.408 2.480 10 0 CEAERO C[C@@H]1CC(=O)N(C[C@H]([NH3+])c2ccc3ccccc3c2)C1=O ZINC000040739837 174390711 /nfs/dbraw/zinc/39/07/11/174390711.db2.gz LFJNKXOXRBMDIB-ABAIWWIYSA-N 1 0 282.343 2.235 10 0 CEAERO CN(c1ccc(Cl)cn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747249 174392540 /nfs/dbraw/zinc/39/25/40/174392540.db2.gz MVGKZVHVKSJTJE-FOSCPWQOSA-N 1 0 251.761 2.454 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccccc1F ZINC000040749789 174394536 /nfs/dbraw/zinc/39/45/36/174394536.db2.gz CAEQTLQZPJWAIV-FGWVZKOKSA-N 1 0 263.316 2.312 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(F)cc(F)c1 ZINC000040749716 174394582 /nfs/dbraw/zinc/39/45/82/174394582.db2.gz HYYADPMIMIRQOF-YHWZYXNKSA-N 1 0 266.291 2.059 10 0 CEAERO Cc1cccc(C)c1NC(=O)CN1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750026 174395232 /nfs/dbraw/zinc/39/52/32/174395232.db2.gz VTLHJISTQDTBNF-GOOCMWNKSA-N 1 0 287.407 2.196 10 0 CEAERO Cc1cccc(N)c1C(=O)NCC[NH+]1CCCCCC1 ZINC000040766879 174398367 /nfs/dbraw/zinc/39/83/67/174398367.db2.gz VRMSVHALMFFBDE-UHFFFAOYSA-N 1 0 275.396 2.183 10 0 CEAERO Cc1sc(C(=O)NCC[NH+]2CCC(C)CC2)cc1N ZINC000040770941 174399932 /nfs/dbraw/zinc/39/99/32/174399932.db2.gz MSKBSEVSGMVJAL-UHFFFAOYSA-N 1 0 281.425 2.100 10 0 CEAERO CC[NH2+]Cc1ccc(OC)cc1OCC(=O)N(C)C(C)C ZINC000040903694 174430207 /nfs/dbraw/zinc/43/02/07/174430207.db2.gz CVULCJZSMIXCEN-UHFFFAOYSA-N 1 0 294.395 2.050 10 0 CEAERO COc1ccc([C@H](C)N[C@H]2C[NH2+]C[C@H](C)C2)cc1OC ZINC000401793438 414753060 /nfs/dbraw/zinc/75/30/60/414753060.db2.gz DDEKQYJBSPNSRD-MBNYWOFBSA-N 1 0 278.396 2.352 10 0 CEAERO CCCCOC[C@H](O)C[N@@H+]1C[C@@H](CC)OC[C@@H]1CC ZINC000403727655 414767225 /nfs/dbraw/zinc/76/72/25/414767225.db2.gz ACFVZHCZQPVMKA-RRFJBIMHSA-N 1 0 273.417 2.053 10 0 CEAERO COc1ccc(C)cc1[C@@H](C)NC(=O)CCCC[NH3+] ZINC000070201888 414769934 /nfs/dbraw/zinc/76/99/34/414769934.db2.gz SYCXRNQVWGHIDF-GFCCVEGCSA-N 1 0 264.369 2.310 10 0 CEAERO COCCC1(C(=O)NCCCC2CCC2)CC[NH2+]CC1 ZINC000662874192 414782290 /nfs/dbraw/zinc/78/22/90/414782290.db2.gz GLPCENRHDSUAFH-UHFFFAOYSA-N 1 0 282.428 2.089 10 0 CEAERO CCCCOC[C@@H](O)C[N@@H+]1CCC[C@@H](OC(C)C)C1 ZINC000404519641 414786955 /nfs/dbraw/zinc/78/69/55/414786955.db2.gz HQXAYMRJCPRSQH-LSDHHAIUSA-N 1 0 273.417 2.053 10 0 CEAERO CC[C@@](C)([NH3+])c1noc([C@@H]2Cc3ccccc3O2)n1 ZINC000041152588 174498938 /nfs/dbraw/zinc/49/89/38/174498938.db2.gz SAPQEAFRVIGTPU-SMDDNHRTSA-N 1 0 259.309 2.330 10 0 CEAERO CC[C@H]1CN(c2nccc(C(F)(F)F)n2)CC[C@@H]1[NH3+] ZINC000122950283 414791803 /nfs/dbraw/zinc/79/18/03/414791803.db2.gz FFQOXCPZYQZLCX-IUCAKERBSA-N 1 0 274.290 2.059 10 0 CEAERO C[NH+](C)CCCNC(=O)C1(c2ccccc2F)CCC1 ZINC000041507577 174563134 /nfs/dbraw/zinc/56/31/34/174563134.db2.gz LNOKYLLOCYPBJO-UHFFFAOYSA-N 1 0 278.371 2.315 10 0 CEAERO CN(C(=O)CSc1ccccc1)[C@H](C[NH3+])C(F)(F)F ZINC000662975609 414815715 /nfs/dbraw/zinc/81/57/15/414815715.db2.gz JFQYMWCZNXQLNX-SNVBAGLBSA-N 1 0 292.326 2.127 10 0 CEAERO Cc1cc(OC(C)C)ccc1NC(=O)C1([NH3+])CCOCC1 ZINC000132152434 414821066 /nfs/dbraw/zinc/82/10/66/414821066.db2.gz HVCKKCPGILSBSR-UHFFFAOYSA-N 1 0 292.379 2.229 10 0 CEAERO CC[NH+](CC)C[C@H](C)Nc1nc(C)ccc1C(N)=S ZINC000041681163 174604127 /nfs/dbraw/zinc/60/41/27/174604127.db2.gz KFPFWFYZWJPGFH-NSHDSACASA-N 1 0 280.441 2.166 10 0 CEAERO C[C@H]([NH3+])c1ccc(NC(=O)Nc2ccn(C)n2)cc1 ZINC000041717051 174615969 /nfs/dbraw/zinc/61/59/69/174615969.db2.gz NAEVCCIPRCIXAL-VIFPVBQESA-N 1 0 259.313 2.084 10 0 CEAERO COCCn1cc(-n2ccc3c2CC(C)(C)C[C@H]3[NH3+])cn1 ZINC000041721881 174618208 /nfs/dbraw/zinc/61/82/08/174618208.db2.gz MMVNEQGUTDTEQZ-CQSZACIVSA-N 1 0 288.395 2.292 10 0 CEAERO CNc1ccccc1C(=O)Nc1c[nH+]ccc1N(C)C ZINC000042033309 174633709 /nfs/dbraw/zinc/63/37/09/174633709.db2.gz VJWBXRDOAUGCGM-UHFFFAOYSA-N 1 0 270.336 2.442 10 0 CEAERO CC[C@H]1CCCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CC1 ZINC000653093918 414904932 /nfs/dbraw/zinc/90/49/32/414904932.db2.gz RLKAKWJDTOFJPI-QJPTWQEYSA-N 1 0 292.345 2.423 10 0 CEAERO CC(C)(C)[NH2+]CC(=O)NCc1cccc(Br)c1 ZINC000042121915 174638928 /nfs/dbraw/zinc/63/89/28/174638928.db2.gz OCLJRZLYXBQDPJ-UHFFFAOYSA-N 1 0 299.212 2.453 10 0 CEAERO COC(=O)c1ccc(CN(C)c2cc[nH+]cc2N)cc1 ZINC000042141149 174641377 /nfs/dbraw/zinc/64/13/77/174641377.db2.gz PGYBZJCKGCQUMP-UHFFFAOYSA-N 1 0 271.320 2.087 10 0 CEAERO O=C(N[C@H]1CC12CCCCC2)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653152773 414928549 /nfs/dbraw/zinc/92/85/49/414928549.db2.gz YZYXZBMAZILAMZ-MXWKQRLJSA-N 1 0 290.329 2.223 10 0 CEAERO CN(CCC(C)(C)C)C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653167568 414931496 /nfs/dbraw/zinc/93/14/96/414931496.db2.gz ZOUANMDXZKDEFW-NXEZZACHSA-N 1 0 280.334 2.279 10 0 CEAERO O=C(Nc1cccc(F)c1F)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653065636 414893034 /nfs/dbraw/zinc/89/30/34/414893034.db2.gz MWXZJWOWZCTROP-RNFRBKRXSA-N 1 0 294.223 2.301 10 0 CEAERO COCc1csc(C[NH2+]C[C@@H]2CCC[C@@H]2O)c1 ZINC000657377318 414896907 /nfs/dbraw/zinc/89/69/07/414896907.db2.gz BWMJUZBQYZKTIR-AAEUAGOBSA-N 1 0 255.383 2.145 10 0 CEAERO CC(C)c1cccc(NS(=O)(=O)CCCC[NH3+])c1 ZINC000042525103 174774964 /nfs/dbraw/zinc/77/49/64/174774964.db2.gz OYJMQSITCVXEOQ-UHFFFAOYSA-N 1 0 270.398 2.291 10 0 CEAERO O[C@H](C[NH2+]C[C@H]1CCCCO1)COc1cccc(Cl)c1 ZINC000042819082 174886640 /nfs/dbraw/zinc/88/66/40/174886640.db2.gz SCGGCJOYPJPDHB-UKRRQHHQSA-N 1 0 299.798 2.238 10 0 CEAERO [NH3+]C[C@H](c1ccccc1)n1cc(Br)cn1 ZINC000042899590 174905393 /nfs/dbraw/zinc/90/53/93/174905393.db2.gz XMAJLMFWVYPJIE-LLVKDONJSA-N 1 0 266.142 2.194 10 0 CEAERO C[C@H]([NH3+])[C@H](c1ccc(F)cc1)N1CCOCC1(C)C ZINC000042915082 174914321 /nfs/dbraw/zinc/91/43/21/174914321.db2.gz FLLQMVLOFXFEEX-SMDDNHRTSA-N 1 0 266.360 2.325 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)n1cncn1 ZINC000042955798 174924380 /nfs/dbraw/zinc/92/43/80/174924380.db2.gz YHJBSCBTKDJOGC-NWDGAFQWSA-N 1 0 295.184 2.367 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](OCCOC)c1ccc(OC)cc1 ZINC000042962947 174927965 /nfs/dbraw/zinc/92/79/65/174927965.db2.gz QMCDCCRUFUEWRD-KGLIPLIRSA-N 1 0 253.342 2.137 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1cccc(F)c1)N1CCOC[C@@H]1C ZINC000042971566 174934798 /nfs/dbraw/zinc/93/47/98/174934798.db2.gz LYYPZJMCEXKPBS-NILFDRSVSA-N 1 0 266.360 2.325 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1cnn(C)c1)N1CCc2ccccc2C1 ZINC000043126662 174977874 /nfs/dbraw/zinc/97/78/74/174977874.db2.gz OFBBRZLYMSMFSV-DLBZAZTESA-N 1 0 284.407 2.257 10 0 CEAERO CC[NH2+][C@@H](c1ccc(CC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043300951 175001376 /nfs/dbraw/zinc/00/13/76/175001376.db2.gz ZCDYQZDCYKUOOQ-GJZGRUSLSA-N 1 0 281.421 2.334 10 0 CEAERO CC[NH2+][C@@H](c1cc(F)ccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000043300843 175001423 /nfs/dbraw/zinc/00/14/23/175001423.db2.gz NZNDIZALWDLGQX-TVQRCGJNSA-N 1 0 289.347 2.050 10 0 CEAERO CCC[NH2+][C@@H]([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000043301318 175002146 /nfs/dbraw/zinc/00/21/46/175002146.db2.gz DFYMGGQAESTKOL-ZIAGYGMSSA-N 1 0 273.442 2.370 10 0 CEAERO COc1ccc(O)c(C(=O)Nc2cccc(C[NH3+])c2)c1 ZINC000043327677 175009251 /nfs/dbraw/zinc/00/92/51/175009251.db2.gz PSWTZCPBVVFMDE-UHFFFAOYSA-N 1 0 272.304 2.112 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1ccco1)n1cc(Br)cn1 ZINC000043336464 175012567 /nfs/dbraw/zinc/01/25/67/175012567.db2.gz VLIYRCUKBKOVJJ-XCBNKYQSSA-N 1 0 270.130 2.175 10 0 CEAERO Cc1cc(=O)[nH]c(S[C@@H](c2ccco2)[C@H](C)[NH3+])n1 ZINC000043338275 175012707 /nfs/dbraw/zinc/01/27/07/175012707.db2.gz GISBVTBKTNEMFJ-GZMMTYOYSA-N 1 0 265.338 2.264 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccccn1)N1CCCSCC1 ZINC000043339906 175013548 /nfs/dbraw/zinc/01/35/48/175013548.db2.gz YLOLGGOAQXNEJZ-GXTWGEPZSA-N 1 0 265.426 2.299 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccccn1)N(C)Cc1ccncc1 ZINC000043339262 175013680 /nfs/dbraw/zinc/01/36/80/175013680.db2.gz CGEHBMJLVATTIP-GDBMZVCRSA-N 1 0 270.380 2.387 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccccn1)N1CCCSCC1 ZINC000043339904 175013864 /nfs/dbraw/zinc/01/38/64/175013864.db2.gz YLOLGGOAQXNEJZ-OCCSQVGLSA-N 1 0 265.426 2.299 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccccn1)N(CCOC)CC(C)C ZINC000043340427 175014171 /nfs/dbraw/zinc/01/41/71/175014171.db2.gz XUKSTEDBFXXDSC-GOEBONIOSA-N 1 0 279.428 2.464 10 0 CEAERO C[C@H]([NH3+])[C@H](OCc1ccc2c(c1)OCO2)c1ccccn1 ZINC000043342826 175015797 /nfs/dbraw/zinc/01/57/97/175015797.db2.gz IWHFQDIYIQJRKW-ZBEGNZNMSA-N 1 0 286.331 2.415 10 0 CEAERO C[C@H]([NH3+])[C@@H](Oc1ccc2c(c1)OCO2)c1ccccn1 ZINC000043343117 175015984 /nfs/dbraw/zinc/01/59/84/175015984.db2.gz GDAIYEAISYVACH-ZUZCIYMTSA-N 1 0 272.304 2.278 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1cccnc1)N(CCOC)CC(C)C ZINC000043347900 175018201 /nfs/dbraw/zinc/01/82/01/175018201.db2.gz HQSSGNXAXNNWBB-HOTGVXAUSA-N 1 0 279.428 2.464 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1cccnc1)N(C)CCc1ccncc1 ZINC000043347083 175018273 /nfs/dbraw/zinc/01/82/73/175018273.db2.gz GQLMYMVAWNWVFO-CZUORRHYSA-N 1 0 270.380 2.039 10 0 CEAERO CC[C@@H]([NH3+])[C@H](OC1CCOCC1)c1cccnc1 ZINC000043351474 175019633 /nfs/dbraw/zinc/01/96/33/175019633.db2.gz GXLMUNUUWXLHTN-ZIAGYGMSSA-N 1 0 250.342 2.056 10 0 CEAERO Cc1cnc(S[C@H](c2cccnc2)[C@@H](C)[NH3+])nc1 ZINC000043352843 175020036 /nfs/dbraw/zinc/02/00/36/175020036.db2.gz DBPYBHYCTANTNC-PWSUYJOCSA-N 1 0 260.366 2.361 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1cnn(C)c1)c1cccnc1 ZINC000043352858 175020441 /nfs/dbraw/zinc/02/04/41/175020441.db2.gz HNCOLIDBAYEDTA-STQMWFEESA-N 1 0 262.382 2.386 10 0 CEAERO CN(Cc1ccc(F)cc1)[C@H](C[NH3+])c1ccncc1 ZINC000043353576 175020794 /nfs/dbraw/zinc/02/07/94/175020794.db2.gz SSFCHCOZCWXGQG-OAHLLOKOSA-N 1 0 259.328 2.353 10 0 CEAERO C[C@H]([NH3+])[C@H](OC[C@@H]1CCCCO1)c1ccncc1 ZINC000043355691 175023165 /nfs/dbraw/zinc/02/31/65/175023165.db2.gz BVLWFWOLIUVUNE-UBHSHLNASA-N 1 0 250.342 2.056 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Oc1ccc(CO)cc1)c1ccncc1 ZINC000043356308 175023424 /nfs/dbraw/zinc/02/34/24/175023424.db2.gz HDGMMNYERAIWCJ-HOTGVXAUSA-N 1 0 272.348 2.431 10 0 CEAERO Cc1cc(=O)[nH]c(S[C@@H](c2ccncc2)[C@@H](C)[NH3+])n1 ZINC000043363222 175024052 /nfs/dbraw/zinc/02/40/52/175024052.db2.gz FIFJJENGPVRRGX-BXKDBHETSA-N 1 0 276.365 2.066 10 0 CEAERO Cc1ccc([C@@H]([C@@H](C)[NH3+])N(C)[C@@H]2CCSC2)o1 ZINC000043364090 175025025 /nfs/dbraw/zinc/02/50/25/175025025.db2.gz QTPMFVAMHOSKCS-NQBHXWOUSA-N 1 0 254.399 2.414 10 0 CEAERO C[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)c2ccsc2S1 ZINC000658055699 415179136 /nfs/dbraw/zinc/17/91/36/415179136.db2.gz UKQBTHZQYUVIAH-FXBDTBDDSA-N 1 0 268.407 2.152 10 0 CEAERO CC[C@H]([NH3+])[C@@H](OC[C@@H]1CCOC1)c1ccc(C)o1 ZINC000043367125 175027369 /nfs/dbraw/zinc/02/73/69/175027369.db2.gz QRRXCFZVSROWEA-MBNYWOFBSA-N 1 0 253.342 2.420 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1nc(N)cc(N)n1)c1ccc(C)o1 ZINC000043367713 175027491 /nfs/dbraw/zinc/02/74/91/175027491.db2.gz XBLYVUHWSKDMJQ-QPUJVOFHSA-N 1 0 293.396 2.113 10 0 CEAERO COc1ccc(CO[C@@H]([C@H](C)[NH3+])C(F)(F)F)cc1 ZINC000043384557 175031637 /nfs/dbraw/zinc/03/16/37/175031637.db2.gz LFPQGWIIYQSPQD-KWQFWETISA-N 1 0 263.259 2.490 10 0 CEAERO COc1ccc(CO[C@H]([C@H](C)[NH3+])C(F)(F)F)cc1 ZINC000043384561 175031838 /nfs/dbraw/zinc/03/18/38/175031838.db2.gz LFPQGWIIYQSPQD-GZMMTYOYSA-N 1 0 263.259 2.490 10 0 CEAERO CC[NH2+][C@@H](c1cc(C)cc(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043393203 175034684 /nfs/dbraw/zinc/03/46/84/175034684.db2.gz ZJCACTFUSXQYBG-DZGCQCFKSA-N 1 0 281.421 2.389 10 0 CEAERO NC(=[NH2+])c1cccc(OCCOc2ccccc2)c1 ZINC000043458225 175050497 /nfs/dbraw/zinc/05/04/97/175050497.db2.gz ZFDMESZZTRSLJD-UHFFFAOYSA-N 1 0 256.305 2.428 10 0 CEAERO [NH3+]C[C@H]1CCCN1Cc1sccc1Br ZINC000043675793 175088473 /nfs/dbraw/zinc/08/84/73/175088473.db2.gz XCVCLLMRGLMRJP-MRVPVSSYSA-N 1 0 275.215 2.434 10 0 CEAERO CCC[NH2+][C@H]1CCCC[C@H]1N1C[C@@H](C)O[C@@H](C)C1 ZINC000043811644 175110966 /nfs/dbraw/zinc/11/09/66/175110966.db2.gz YCYATUZFZLVANO-LJISPDSOSA-N 1 0 254.418 2.406 10 0 CEAERO CCC[NH2+][C@@H](CN(C)C)c1cc(OC)ccc1OC ZINC000043816236 175112229 /nfs/dbraw/zinc/11/22/29/175112229.db2.gz HDSHHECZTUMJKQ-AWEZNQCLSA-N 1 0 266.385 2.306 10 0 CEAERO CC[NH2+][C@H](CN(C)C1CC1)c1ccc2c(c1)OCO2 ZINC000043823151 175114563 /nfs/dbraw/zinc/11/45/63/175114563.db2.gz FIFZHTHOYVQSDT-CYBMUJFWSA-N 1 0 262.353 2.160 10 0 CEAERO CC[NH2+][C@@H](CN(C)C1CC1)c1ccc2c(c1)OCO2 ZINC000043823148 175114588 /nfs/dbraw/zinc/11/45/88/175114588.db2.gz FIFZHTHOYVQSDT-ZDUSSCGKSA-N 1 0 262.353 2.160 10 0 CEAERO CCC[NH2+][C@H]1CCC2(C[C@H]1N(CC)C(C)C)OCCO2 ZINC000043883153 175116258 /nfs/dbraw/zinc/11/62/58/175116258.db2.gz RJWWRHPEQDFIRY-LSDHHAIUSA-N 1 0 284.444 2.381 10 0 CEAERO C[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)N1CCOC[C@@H]1C ZINC000043891144 175118074 /nfs/dbraw/zinc/11/80/74/175118074.db2.gz RFNMJMBKVKXRHE-LZWOXQAQSA-N 1 0 262.397 2.365 10 0 CEAERO CC[NH2+][C@H](CN1CCC(OC)CC1)c1ccc(OC)cc1 ZINC000043890211 175118082 /nfs/dbraw/zinc/11/80/82/175118082.db2.gz CYGPJNACIVWJNG-QGZVFWFLSA-N 1 0 292.423 2.457 10 0 CEAERO C[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)N1CCOC[C@@H]1C ZINC000043891147 175118340 /nfs/dbraw/zinc/11/83/40/175118340.db2.gz RFNMJMBKVKXRHE-OFQRWUPVSA-N 1 0 262.397 2.365 10 0 CEAERO CCC[NH2+][C@@H]1CCCC[C@@H]1N(C)C1CCOCC1 ZINC000043898748 175121547 /nfs/dbraw/zinc/12/15/47/175121547.db2.gz ABHBCHKYJPMHCW-CABCVRRESA-N 1 0 254.418 2.408 10 0 CEAERO CC[NH2+][C@@H]1CCOC[C@H]1N(CC(C)C)CC(C)C ZINC000043909696 175123124 /nfs/dbraw/zinc/12/31/24/175123124.db2.gz GLFRQJDZANJZLA-HUUCEWRRSA-N 1 0 256.434 2.367 10 0 CEAERO CC[NH2+][C@H]1CCOC[C@H]1N(C)Cc1ccccc1C ZINC000043910303 175123339 /nfs/dbraw/zinc/12/33/39/175123339.db2.gz GQRDZLSBDXWKHR-JKSUJKDBSA-N 1 0 262.397 2.194 10 0 CEAERO C[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)N(CCOC)CCOC ZINC000043912543 175123928 /nfs/dbraw/zinc/12/39/28/175123928.db2.gz KWOFENKGVJNCRT-WBVHZDCISA-N 1 0 294.439 2.239 10 0 CEAERO CC[C@H]1CO[C@H](C)CN1[C@@H]1COc2ccccc2[C@@H]1[NH2+]C ZINC000043913927 175124108 /nfs/dbraw/zinc/12/41/08/175124108.db2.gz FLZNXYOVGBGSLH-CXUGXGMPSA-N 1 0 290.407 2.207 10 0 CEAERO CCC[NH2+][C@@H](CN(C)CCOC)c1ccccc1OC ZINC000043916257 175125118 /nfs/dbraw/zinc/12/51/18/175125118.db2.gz BODIBADWQVATGZ-HNNXBMFYSA-N 1 0 280.412 2.314 10 0 CEAERO CCC[NH2+][C@@H]1c2ccccc2C[C@@H]1N(C)CCOC ZINC000043916310 175125207 /nfs/dbraw/zinc/12/52/07/175125207.db2.gz MFWZVVTZIICCML-JKSUJKDBSA-N 1 0 262.397 2.230 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2CC[C@@H]1N(C)C[C@@H]1CCCO1 ZINC000043965962 175127032 /nfs/dbraw/zinc/12/70/32/175127032.db2.gz MYSHKHKCDKBEQH-BHYGNILZSA-N 1 0 274.408 2.373 10 0 CEAERO CC[C@@H]1CC[C@H]([NH2+]C)[C@H](N(C)C[C@@H]2CCCO2)C1 ZINC000043965809 175127197 /nfs/dbraw/zinc/12/71/97/175127197.db2.gz WXKVDCNQWDPNOK-CBBWQLFWSA-N 1 0 254.418 2.264 10 0 CEAERO CC[NH2+][C@@H]1CCCC[C@H]1N(CC)C[C@@H]1CCCO1 ZINC000043966879 175127963 /nfs/dbraw/zinc/12/79/63/175127963.db2.gz UXDLSLZEOABBGR-RRFJBIMHSA-N 1 0 254.418 2.408 10 0 CEAERO C[NH2+][C@H]1CCCCC[C@@H]1N(C)C[C@@H]1CCCCO1 ZINC000043966365 175128021 /nfs/dbraw/zinc/12/80/21/175128021.db2.gz RKDHHLAGFRFJOX-KKUMJFAQSA-N 1 0 254.418 2.408 10 0 CEAERO C[NH2+][C@H]1CCC2(C[C@@H]1N(C)CC1CCCCC1)OCCO2 ZINC000043968232 175129974 /nfs/dbraw/zinc/12/99/74/175129974.db2.gz UPQXOEHFRHKSDH-HOTGVXAUSA-N 1 0 296.455 2.382 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2CC[C@@H]1N(CCOC)C1CC1 ZINC000043969812 175131098 /nfs/dbraw/zinc/13/10/98/175131098.db2.gz UPYJAAYHJPVEHG-DLBZAZTESA-N 1 0 274.408 2.373 10 0 CEAERO CCO[C@H]1CCCN([C@@H]2Cc3ccccc3[C@@H]2[NH2+]C)C1 ZINC000043971401 175132720 /nfs/dbraw/zinc/13/27/20/175132720.db2.gz HRUSZQVSIVIBBK-UAGQMJEPSA-N 1 0 274.408 2.373 10 0 CEAERO Cc1nc(CN(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)cs1 ZINC000044609764 175216654 /nfs/dbraw/zinc/21/66/54/175216654.db2.gz KVDMZGALBBJVRH-UBHSHLNASA-N 1 0 293.436 2.331 10 0 CEAERO Cc1nnc(COc2ccc3c(c2)CCC[C@@H]3[NH3+])n1C ZINC000044744963 175241493 /nfs/dbraw/zinc/24/14/93/175241493.db2.gz KLURMLJZSCAROG-AWEZNQCLSA-N 1 0 272.352 2.039 10 0 CEAERO [NH3+][C@H]1CCCc2cc(OCC(=O)NC3CCCC3)ccc21 ZINC000044744989 175241687 /nfs/dbraw/zinc/24/16/87/175241687.db2.gz CTDOXRXTAZPFFY-INIZCTEOSA-N 1 0 288.391 2.460 10 0 CEAERO C[NH2+][C@@H]1CCCc2cc(O[C@@H](C)C(=O)N(C)C)ccc21 ZINC000044745287 175241731 /nfs/dbraw/zinc/24/17/31/175241731.db2.gz UNUMNCZFYQPTAZ-XHDPSFHLSA-N 1 0 276.380 2.139 10 0 CEAERO C[NH2+][C@@H]1CCCc2cc(O[C@H]3CCCCNC3=O)ccc21 ZINC000044745349 175241859 /nfs/dbraw/zinc/24/18/59/175241859.db2.gz XFOOGOXYAWPDAU-CVEARBPZSA-N 1 0 288.391 2.331 10 0 CEAERO CCC[NH2+][C@@H]1CCCc2cc(O[C@@H](C)C(N)=O)ccc21 ZINC000044745757 175241952 /nfs/dbraw/zinc/24/19/52/175241952.db2.gz LNDADAVRWFKWEG-XHDPSFHLSA-N 1 0 276.380 2.316 10 0 CEAERO CN1CCC([NH2+][C@@H]2CCCc3cc(O)ccc32)CC1 ZINC000044747044 175242562 /nfs/dbraw/zinc/24/25/62/175242562.db2.gz XJOYNNKMXSMUFW-MRXNPFEDSA-N 1 0 260.381 2.453 10 0 CEAERO CCC[NH+]1CCC(NC(=O)c2ccc(N)cc2C)CC1 ZINC000044749089 175244195 /nfs/dbraw/zinc/24/41/95/175244195.db2.gz XEYGWHRESAQEIH-UHFFFAOYSA-N 1 0 275.396 2.181 10 0 CEAERO Cc1cc(N)ccc1C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000044749070 175244264 /nfs/dbraw/zinc/24/42/64/175244264.db2.gz MYDUDORIKWSCOU-CYBMUJFWSA-N 1 0 275.396 2.181 10 0 CEAERO [NH3+]CC1(C(=O)NCCc2ccncc2)CCCCCC1 ZINC000044763066 175246915 /nfs/dbraw/zinc/24/69/15/175246915.db2.gz BEKVOBVMTHODIL-UHFFFAOYSA-N 1 0 275.396 2.040 10 0 CEAERO CCC1CCC(N(C)C(=O)C2(C[NH3+])CCOCC2)CC1 ZINC000044763461 175247374 /nfs/dbraw/zinc/24/73/74/175247374.db2.gz SPMMFQQZULMDEL-UHFFFAOYSA-N 1 0 282.428 2.169 10 0 CEAERO CC(C)[C@@H](C[NH3+])C(=O)Nc1cccc2cccnc21 ZINC000044797750 175254506 /nfs/dbraw/zinc/25/45/06/175254506.db2.gz HAZNKWPUWDZRPP-GFCCVEGCSA-N 1 0 257.337 2.404 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000044796034 175254827 /nfs/dbraw/zinc/25/48/27/175254827.db2.gz FMLSPIDRZDCLIL-BETUJISGSA-N 1 0 270.417 2.168 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N(C)Cc1cccc(OC)c1 ZINC000044804118 175255997 /nfs/dbraw/zinc/25/59/97/175255997.db2.gz AMZDBLASGWYHTC-CYBMUJFWSA-N 1 0 264.369 2.029 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)N(CCOC)C1CC1 ZINC000044805197 175256485 /nfs/dbraw/zinc/25/64/85/175256485.db2.gz LUHCSZGPQDWOQA-UHFFFAOYSA-N 1 0 270.417 2.169 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)N[C@@H](C)CCc1ccco1 ZINC000044806649 175256490 /nfs/dbraw/zinc/25/64/90/175256490.db2.gz CRNQZQOUIPVAKI-RYUDHWBXSA-N 1 0 252.358 2.092 10 0 CEAERO O=S(=O)(Nc1ccc2ccccc2c1)[C@@H]1CCC[NH2+]C1 ZINC000044881422 175270055 /nfs/dbraw/zinc/27/00/55/175270055.db2.gz BITPYZUGEHIGRE-OAHLLOKOSA-N 1 0 290.388 2.334 10 0 CEAERO C[C@H](CN1Cc2cccc(N)c2C1)[NH+]1CCCCC1 ZINC000045006858 175289106 /nfs/dbraw/zinc/28/91/06/175289106.db2.gz AVISHHGJGAJZTK-CYBMUJFWSA-N 1 0 259.397 2.459 10 0 CEAERO COCC[C@@](C)(NC1CCCCCC1)C(=O)OC ZINC000045044382 175295508 /nfs/dbraw/zinc/29/55/08/175295508.db2.gz COOBEKDNBPJMIH-CQSZACIVSA-N 1 0 257.374 2.267 10 0 CEAERO CC1(NC(=O)[C@@H]([NH3+])Cc2ccccc2)CCCCC1 ZINC000045046942 175296275 /nfs/dbraw/zinc/29/62/75/175296275.db2.gz JSSHBNBWWBWMPX-AWEZNQCLSA-N 1 0 260.381 2.395 10 0 CEAERO CC1(NS(=O)(=O)CC[C@@H]2CCCC[NH2+]2)CCCCC1 ZINC000045047162 175296801 /nfs/dbraw/zinc/29/68/01/175296801.db2.gz BYKMWSLKXODBNU-ZDUSSCGKSA-N 1 0 288.457 2.161 10 0 CEAERO C[C@H](CNc1ccc(Br)cc1N)[NH+](C)C ZINC000045105852 175307649 /nfs/dbraw/zinc/30/76/49/175307649.db2.gz GFNMIRIZEYFRIY-MRVPVSSYSA-N 1 0 272.190 2.393 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]C2CCC(O)CC2)c1C ZINC000045167437 175319445 /nfs/dbraw/zinc/31/94/45/175319445.db2.gz DJYVOYWFEDLKNS-GWMXKSKGSA-N 1 0 265.401 2.474 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]C2CCN(C(C)=O)CC2)c1C ZINC000045171110 175320831 /nfs/dbraw/zinc/32/08/31/175320831.db2.gz JSSZYZJVNXVTDE-NSHDSACASA-N 1 0 292.427 2.181 10 0 CEAERO Cc1nn(C)c(C)c1[C@H](C)[NH2+][C@H](C)c1cnn(C)c1C ZINC000045171325 175321123 /nfs/dbraw/zinc/32/11/23/175321123.db2.gz HLTVBDMDVRQCCD-ZJUUUORDSA-N 1 0 275.400 2.491 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]Cc2cnn(C)c2)c1C ZINC000045172264 175321775 /nfs/dbraw/zinc/32/17/75/175321775.db2.gz GJIRTVYRRQHKPF-SNVBAGLBSA-N 1 0 261.373 2.104 10 0 CEAERO Cc1nn(C)c(C)c1[C@H](C)[NH2+]C[C@H]1CCCCN1C ZINC000045172751 175322512 /nfs/dbraw/zinc/32/25/12/175322512.db2.gz KQFJCLOTJVPMQS-SMDDNHRTSA-N 1 0 264.417 2.172 10 0 CEAERO CCN(CC[C@](C)([NH3+])C(N)=O)c1cccc2ccccc21 ZINC000045222931 175330696 /nfs/dbraw/zinc/33/06/96/175330696.db2.gz YDWNWMPCFVBFCV-KRWDZBQOSA-N 1 0 285.391 2.259 10 0 CEAERO CN[C@@](C)(C[NH+](C1CCCCC1)C1CCCCC1)C(N)=O ZINC000045222789 175330963 /nfs/dbraw/zinc/33/09/63/175330963.db2.gz CQFUVTBHLLQIQY-KRWDZBQOSA-N 1 0 295.471 2.417 10 0 CEAERO CCCC[N@H+](C)C[C@@](NC)(C(=O)OC)c1ccccc1 ZINC000045221908 175330988 /nfs/dbraw/zinc/33/09/88/175330988.db2.gz OKZFCZADVVIGNS-INIZCTEOSA-N 1 0 278.396 2.006 10 0 CEAERO CCCC[N@H+](CC)C[C@](C)(NC(C)C)C(=O)OCC ZINC000045223315 175331151 /nfs/dbraw/zinc/33/11/51/175331151.db2.gz SMOSCLKGJNCBGA-HNNXBMFYSA-N 1 0 272.433 2.428 10 0 CEAERO CCOC(=O)[C@@](N)(C[NH+]1CCC(C)CC1)c1ccccc1 ZINC000045225316 175332722 /nfs/dbraw/zinc/33/27/22/175332722.db2.gz OCUXNJVEVOTIOT-QGZVFWFLSA-N 1 0 290.407 2.136 10 0 CEAERO CCOC(=O)[C@@](C)(CC[NH+]1CCCCCC1)NC1CC1 ZINC000045228947 175334200 /nfs/dbraw/zinc/33/42/00/175334200.db2.gz ZXTONJKHPBXISW-MRXNPFEDSA-N 1 0 282.428 2.326 10 0 CEAERO CCCN[C@@](C)(C[NH+]1CCCCCC1)C(=O)OCC ZINC000045228783 175334353 /nfs/dbraw/zinc/33/43/53/175334353.db2.gz PSLDQFNKKACPPT-HNNXBMFYSA-N 1 0 270.417 2.184 10 0 CEAERO CCC[NH+](CCC)CC[C@](C)(NC1CC1)C(=O)OC ZINC000045230534 175334646 /nfs/dbraw/zinc/33/46/46/175334646.db2.gz GFQWPCNLHFYTPI-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CCN[C@@](C)(C[N@H+]1[C@H](C)CCC[C@@H]1C)C(=O)OCC ZINC000045231774 175335416 /nfs/dbraw/zinc/33/54/16/175335416.db2.gz NZKOQDJDOUUKAB-GUTXKFCHSA-N 1 0 270.417 2.181 10 0 CEAERO CCC[NH2+][C@](C)(CC[N@H+](CC)CC(C)C)C(=O)[O-] ZINC000045264168 175337634 /nfs/dbraw/zinc/33/76/34/175337634.db2.gz SLNDDGCSYFQOQN-CQSZACIVSA-N 1 0 258.406 2.197 10 0 CEAERO CCC[N@H+](C)C[C@@](NC1CC1)(C(=O)OC)c1ccccc1 ZINC000045264347 175338067 /nfs/dbraw/zinc/33/80/67/175338067.db2.gz WVVLTSLNMQDPCY-KRWDZBQOSA-N 1 0 290.407 2.149 10 0 CEAERO CCN[C@](C[N@H+](CC)C(C)C)(C(=O)OC)c1ccccc1 ZINC000045265405 175338141 /nfs/dbraw/zinc/33/81/41/175338141.db2.gz ADSWEMYIROSSIW-KRWDZBQOSA-N 1 0 292.423 2.395 10 0 CEAERO CC[N@H+](CC[C@@](C)(NC(C)C)C(=O)OC)C(C)C ZINC000045265682 175338152 /nfs/dbraw/zinc/33/81/52/175338152.db2.gz MHRWQIYCVAXKHQ-CQSZACIVSA-N 1 0 258.406 2.037 10 0 CEAERO CCN[C@@](C)(C[NH+](CC(C)C)CC(C)C)C(=O)OC ZINC000045273775 175343692 /nfs/dbraw/zinc/34/36/92/175343692.db2.gz XNEJIIXLOXELIO-HNNXBMFYSA-N 1 0 272.433 2.142 10 0 CEAERO CCC[N@H+](CC[C@](C)([NH2+]C1CC1)C(=O)[O-])CC1CC1 ZINC000045276880 175346364 /nfs/dbraw/zinc/34/63/64/175346364.db2.gz QHWDRBSZYQXWIT-HNNXBMFYSA-N 1 0 268.401 2.094 10 0 CEAERO CCCC[N@H+](C[C@](N)(C(=O)OC)c1ccccc1)C1CC1 ZINC000045276171 175346635 /nfs/dbraw/zinc/34/66/35/175346635.db2.gz MLHHSWXGWUHVHO-QGZVFWFLSA-N 1 0 290.407 2.278 10 0 CEAERO COC(=O)[C@@](C)(CC[N@H+](CC(C)C)C1CC1)NC1CC1 ZINC000045277595 175347431 /nfs/dbraw/zinc/34/74/31/175347431.db2.gz LDXRULAQOMBLDU-MRXNPFEDSA-N 1 0 282.428 2.181 10 0 CEAERO C[NH2+][C@](C)(CC[N@@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000045277389 175347696 /nfs/dbraw/zinc/34/76/96/175347696.db2.gz BSPOIKVXWQYPHX-UKRRQHHQSA-N 1 0 268.401 2.094 10 0 CEAERO CCCN[C@](C)(CC[N@H+](C)[C@@H]1CCCC[C@@H]1C)C(N)=O ZINC000045279131 175349043 /nfs/dbraw/zinc/34/90/43/175349043.db2.gz WXVWVDQNBAAKCP-SQWLQELKSA-N 1 0 283.460 2.131 10 0 CEAERO CCN[C@](C)(CC[N@H+](CC1CC1)C(C)C)C(=O)OCC ZINC000045281042 175350675 /nfs/dbraw/zinc/35/06/75/175350675.db2.gz XLQPTHDENJVZGG-MRXNPFEDSA-N 1 0 284.444 2.428 10 0 CEAERO CC[NH2+][C@](C)(CC[N@H+](CC(C)C)C(C)C)C(=O)[O-] ZINC000045280733 175350687 /nfs/dbraw/zinc/35/06/87/175350687.db2.gz AOKQPYBNDXTDKG-CQSZACIVSA-N 1 0 258.406 2.196 10 0 CEAERO CCC[NH2+][C@@](C)(CC[N@H+](C)CCC(C)C)C(=O)[O-] ZINC000045281263 175351608 /nfs/dbraw/zinc/35/16/08/175351608.db2.gz ORPUNFGTDGYPAH-AWEZNQCLSA-N 1 0 258.406 2.197 10 0 CEAERO CC[NH2+][C@](C)(CCCN1c2ccccc2C[C@@H]1C)C(N)=O ZINC000045369099 175363562 /nfs/dbraw/zinc/36/35/62/175363562.db2.gz BUDVXMRXIFSMDE-SUMWQHHRSA-N 1 0 289.423 2.071 10 0 CEAERO CCOC(=O)[C@@](C)([NH3+])CCCN1CCc2ccccc21 ZINC000045372802 175365025 /nfs/dbraw/zinc/36/50/25/175365025.db2.gz IZIRQVYRYCAVCZ-INIZCTEOSA-N 1 0 276.380 2.110 10 0 CEAERO CCCN[C@](C)(CCC[NH+]1CCC(C)CC1)C(=O)OC ZINC000045374988 175365216 /nfs/dbraw/zinc/36/52/16/175365216.db2.gz TZTKSEAGMMKFHG-MRXNPFEDSA-N 1 0 284.444 2.430 10 0 CEAERO C[C@@]([NH3+])(CCCC[N@@H+]1CCc2ccccc2C1)C(=O)[O-] ZINC000045378655 175367795 /nfs/dbraw/zinc/36/77/95/175367795.db2.gz UAXIBWXXZNYXHU-MRXNPFEDSA-N 1 0 276.380 2.017 10 0 CEAERO C[N@H+](CCCC[C@](C)([NH3+])C(=O)[O-])C1CCCCC1 ZINC000045378944 175368538 /nfs/dbraw/zinc/36/85/38/175368538.db2.gz ZWPOPRNHKYDYTG-AWEZNQCLSA-N 1 0 256.390 2.223 10 0 CEAERO CCN[C@](C)(CCC[N@H+](CC)C1CC1)C(=O)OCC ZINC000045386554 175372959 /nfs/dbraw/zinc/37/29/59/175372959.db2.gz BUCHURCXHLSWJM-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CCN[C@@](C)(CCC[N@H+](C)[C@@H](C)C1CC1)C(=O)OCC ZINC000045393018 175375478 /nfs/dbraw/zinc/37/54/78/175375478.db2.gz NXTMYCZEJILZOA-BBRMVZONSA-N 1 0 284.444 2.428 10 0 CEAERO CN1C[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC1=O ZINC000658241678 415274845 /nfs/dbraw/zinc/27/48/45/415274845.db2.gz YSPZEFCCENXUSW-BDJLRTHQSA-N 1 0 276.355 2.345 10 0 CEAERO CN1C[C@@H](C[NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1=O ZINC000658243159 415278882 /nfs/dbraw/zinc/27/88/82/415278882.db2.gz BPFBHZWBCCCJEM-QMTHXVAHSA-N 1 0 278.783 2.395 10 0 CEAERO C[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1ccc2c(c1)CCC2 ZINC000658246460 415283236 /nfs/dbraw/zinc/28/32/36/415283236.db2.gz ZYMULRCWWBSOHC-QWHCGFSZSA-N 1 0 272.392 2.304 10 0 CEAERO C[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H]1CCc2ccccc2N1 ZINC000049186138 175467658 /nfs/dbraw/zinc/46/76/58/175467658.db2.gz KUDDUJHVCOXKGL-BBRMVZONSA-N 1 0 287.407 2.014 10 0 CEAERO O=C(CC[C@H]1CCC[NH2+]1)N1CCC[C@@H](OC2CCC2)C1 ZINC000655495558 415304824 /nfs/dbraw/zinc/30/48/24/415304824.db2.gz QCQRANCSARSEMR-UKRRQHHQSA-N 1 0 280.412 2.079 10 0 CEAERO CC(C)CO[C@H]1C[C@H]([NH2+]C2CC(CO)C2)C1(C)C ZINC000658357428 415337491 /nfs/dbraw/zinc/33/74/91/415337491.db2.gz UUTFFRMIHKTLQH-HOAMVYINSA-N 1 0 255.402 2.187 10 0 CEAERO CCC[C@@]1(C(=O)NCc2ccc(OC)cc2)CC[NH2+]C1 ZINC000062888356 175676676 /nfs/dbraw/zinc/67/66/76/175676676.db2.gz QYASPPDQRRIMQU-MRXNPFEDSA-N 1 0 276.380 2.091 10 0 CEAERO Cc1cc(C)cc(CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000659344707 415534074 /nfs/dbraw/zinc/53/40/74/415534074.db2.gz ANRYTUWHPYJBPI-LSDHHAIUSA-N 1 0 260.381 2.295 10 0 CEAERO CC[C@@H]1CC[C@@H](C)N(C(=O)[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000659374726 415548004 /nfs/dbraw/zinc/54/80/04/415548004.db2.gz TZMBJKSIEOLABA-SYQHCUMBSA-N 1 0 252.402 2.399 10 0 CEAERO CCC1(C)CC[NH+]([C@@]2(CN)CCO[C@H](C)C2)CC1 ZINC000070366217 175895924 /nfs/dbraw/zinc/89/59/24/175895924.db2.gz ZGEAIZKODOZVMZ-HIFRSBDPSA-N 1 0 254.418 2.395 10 0 CEAERO O=C(N[C@@H]1CCCC[NH2+]C1)c1coc2ccccc12 ZINC000070393055 175907865 /nfs/dbraw/zinc/90/78/65/175907865.db2.gz ROOYCPSRHFPGSW-LLVKDONJSA-N 1 0 258.321 2.305 10 0 CEAERO C[NH2+][C@@H](Cc1ccnc(N)c1)c1ccc(F)c(F)c1 ZINC000070402711 175911692 /nfs/dbraw/zinc/91/16/92/175911692.db2.gz AUWHVQQLMIXNIM-ZDUSSCGKSA-N 1 0 263.291 2.445 10 0 CEAERO COc1cccc(C[C@H]([NH3+])c2c(C)ccnc2N)c1 ZINC000070402982 175911804 /nfs/dbraw/zinc/91/18/04/175911804.db2.gz OQHQRVUSOGGDNB-ZDUSSCGKSA-N 1 0 257.337 2.223 10 0 CEAERO Nc1ncccc1C[C@H]([NH3+])c1nccc2ccccc21 ZINC000070407630 175913696 /nfs/dbraw/zinc/91/36/96/175913696.db2.gz YFAROCLNEJWQRF-AWEZNQCLSA-N 1 0 264.332 2.455 10 0 CEAERO C[NH2+][C@H](C)[C@@H](C)c1nc(-c2ccc3nccnc3c2)no1 ZINC000070433804 175928908 /nfs/dbraw/zinc/92/89/08/175928908.db2.gz VJCOUFVAHDOXKP-NXEZZACHSA-N 1 0 283.335 2.391 10 0 CEAERO Cc1cccc(-c2cc(N3CCC[C@@H]([NH3+])C3)n[nH]2)c1 ZINC000070460154 175942398 /nfs/dbraw/zinc/94/23/98/175942398.db2.gz UNCILQZXFSHBMJ-CYBMUJFWSA-N 1 0 256.353 2.313 10 0 CEAERO COc1cccc(OC)c1O[C@@H]1CC[NH2+]C[C@H]1C ZINC000070489296 175955173 /nfs/dbraw/zinc/95/51/73/175955173.db2.gz JBVPCTKMPSIBEX-GHMZBOCLSA-N 1 0 251.326 2.081 10 0 CEAERO C[C@@]([NH3+])(CO)CCCCn1cc(-c2ccccc2)cn1 ZINC000070515716 175964509 /nfs/dbraw/zinc/96/45/09/175964509.db2.gz AHTQQKWPAMIXRV-INIZCTEOSA-N 1 0 273.380 2.430 10 0 CEAERO CCC[NH2+][C@@](CO)(COc1ccc(OC)cc1)C1CC1 ZINC000070518957 175965774 /nfs/dbraw/zinc/96/57/74/175965774.db2.gz MQQLQYSRTQOJNZ-INIZCTEOSA-N 1 0 279.380 2.215 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)COc1cccc2cccnc21 ZINC000070517799 175966105 /nfs/dbraw/zinc/96/61/05/175966105.db2.gz TVEZNHXWKYZNMG-INIZCTEOSA-N 1 0 274.364 2.363 10 0 CEAERO C[C@H](C[C@@](C)(O)C[NH3+])Oc1c(F)c(F)c(F)c(F)c1F ZINC000070522063 175967734 /nfs/dbraw/zinc/96/77/34/175967734.db2.gz WVUZEOSVADWGQB-DAZVOFDJSA-N 1 0 299.239 2.249 10 0 CEAERO CC[NH2+][C@@H](c1ccc2c(c1)C(=O)NCC2)C1CCOCC1 ZINC000070544838 175979112 /nfs/dbraw/zinc/97/91/12/175979112.db2.gz KTABKXDAXUKLRR-MRXNPFEDSA-N 1 0 288.391 2.050 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000070574043 175989070 /nfs/dbraw/zinc/98/90/70/175989070.db2.gz GGAKORBWJRCKDF-PSASIEDQSA-N 1 0 298.184 2.300 10 0 CEAERO [NH3+]C[C@@H]1CCO[C@H]1c1ccccc1Br ZINC000070674067 176000392 /nfs/dbraw/zinc/00/03/92/176000392.db2.gz OSPJECYBPGYVBQ-GZMMTYOYSA-N 1 0 256.143 2.485 10 0 CEAERO CCC[NH2+]Cc1csc(N2CCSCC2)n1 ZINC000070681819 176001492 /nfs/dbraw/zinc/00/14/92/176001492.db2.gz GEONXPKPZCAKIQ-UHFFFAOYSA-N 1 0 257.428 2.196 10 0 CEAERO C[NH2+]Cc1ccnn1Cc1ccc(Br)cc1 ZINC000070708843 176002722 /nfs/dbraw/zinc/00/27/22/176002722.db2.gz SATQBTFONHTMFU-UHFFFAOYSA-N 1 0 280.169 2.413 10 0 CEAERO CCOC(=O)C1CCN(C[C@H](C[NH3+])c2ccccc2)CC1 ZINC000070941100 176014460 /nfs/dbraw/zinc/01/44/60/176014460.db2.gz WNRYJSQGFZSRIU-INIZCTEOSA-N 1 0 290.407 2.004 10 0 CEAERO Cn1c(C[NH3+])nnc1SCc1ccc(Cl)s1 ZINC000070944358 176016520 /nfs/dbraw/zinc/01/65/20/176016520.db2.gz APHQMXZVUZVQRK-UHFFFAOYSA-N 1 0 274.802 2.281 10 0 CEAERO CN(C)c1cccc(C(=O)N(CC[NH3+])C2CCCC2)c1 ZINC000070943606 176016799 /nfs/dbraw/zinc/01/67/99/176016799.db2.gz YVJJFJHHZXIRNW-UHFFFAOYSA-N 1 0 275.396 2.096 10 0 CEAERO CC[NH2+][C@@H]1CCCN([C@@H](C)c2ccccc2F)C1=O ZINC000071031918 176022993 /nfs/dbraw/zinc/02/29/93/176022993.db2.gz ARZSASWYJSHKDV-SMDDNHRTSA-N 1 0 264.344 2.487 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000071032072 176023086 /nfs/dbraw/zinc/02/30/86/176023086.db2.gz XXCYZSYYKMHDRC-SMDDNHRTSA-N 1 0 264.344 2.486 10 0 CEAERO CC(C)[NH2+][C@@H]1CCCN(CCOc2ccccc2)C1=O ZINC000071031505 176023131 /nfs/dbraw/zinc/02/31/31/176023131.db2.gz CWQRPTNGIDPYCE-OAHLLOKOSA-N 1 0 276.380 2.054 10 0 CEAERO CC[NH2+][C@H]1CCCN(Cc2ccc(F)c(F)c2)C1=O ZINC000071034458 176024761 /nfs/dbraw/zinc/02/47/61/176024761.db2.gz APQOGIZGFHHXJZ-ZDUSSCGKSA-N 1 0 268.307 2.065 10 0 CEAERO C[C@@H](Cc1ccsc1)N1CCC[C@H]([NH2+]C2CC2)C1=O ZINC000071035433 176025655 /nfs/dbraw/zinc/02/56/55/176025655.db2.gz GGARVPJNALLYHV-FZMZJTMJSA-N 1 0 278.421 2.422 10 0 CEAERO CCC[NH2+][C@H]1CCCN(CCOCCC(C)C)C1=O ZINC000071036715 176026159 /nfs/dbraw/zinc/02/61/59/176026159.db2.gz UFVUAQCFKZQSPB-AWEZNQCLSA-N 1 0 270.417 2.040 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN(c2cc(F)ccc2F)C1=O ZINC000071037867 176026385 /nfs/dbraw/zinc/02/63/85/176026385.db2.gz MHGVAQCIFWUCHD-LLVKDONJSA-N 1 0 254.280 2.068 10 0 CEAERO CC(C)[NH2+][C@H]1CCN(c2ccc(OC(F)F)cc2)C1=O ZINC000071039448 176027385 /nfs/dbraw/zinc/02/73/85/176027385.db2.gz MSSSVVANTGGRGR-LBPRGKRZSA-N 1 0 284.306 2.391 10 0 CEAERO C[C@H](c1cccs1)N1CC[C@@H]([NH2+]C2CC2)C1=O ZINC000071040251 176027596 /nfs/dbraw/zinc/02/75/96/176027596.db2.gz RFGQZENECPMQTD-MWLCHTKSSA-N 1 0 250.367 2.162 10 0 CEAERO CCC[NH2+][C@@H]1CCCN(CCc2cccc(F)c2)C1=O ZINC000071040525 176027727 /nfs/dbraw/zinc/02/77/27/176027727.db2.gz YKSZQKGGQDDEBO-OAHLLOKOSA-N 1 0 278.371 2.359 10 0 CEAERO CC[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]C2CC2)C1=O ZINC000071041853 176028128 /nfs/dbraw/zinc/02/81/28/176028128.db2.gz UOXXCWHLXRNHBV-CABCVRRESA-N 1 0 258.365 2.491 10 0 CEAERO CC(C)[NH2+][C@H]1CCCN(CCc2cc(F)cc(F)c2)C1=O ZINC000071042453 176028535 /nfs/dbraw/zinc/02/85/35/176028535.db2.gz YFQGVCMWAZLFFN-HNNXBMFYSA-N 1 0 296.361 2.496 10 0 CEAERO CC[NH2+][C@@H]1CCCN(Cc2ccc(C)s2)C1=O ZINC000071042023 176028657 /nfs/dbraw/zinc/02/86/57/176028657.db2.gz GAOLVABPKPGZGC-GFCCVEGCSA-N 1 0 252.383 2.157 10 0 CEAERO CC[NH2+][C@@H]1CCCN(c2ccc(F)c(C)c2)C1=O ZINC000071042695 176028714 /nfs/dbraw/zinc/02/87/14/176028714.db2.gz PZPLQFTVTWCOOZ-CYBMUJFWSA-N 1 0 250.317 2.239 10 0 CEAERO CC[NH2+][C@@H]1CCCN([C@H]2CCOc3ccccc32)C1=O ZINC000071043256 176029017 /nfs/dbraw/zinc/02/90/17/176029017.db2.gz YYAGEGKVKHCXAA-KGLIPLIRSA-N 1 0 274.364 2.111 10 0 CEAERO C[NH2+][C@@H]1CCCN(CCC2CCC(C)CC2)C1=O ZINC000071044360 176029771 /nfs/dbraw/zinc/02/97/71/176029771.db2.gz HFWVKRUVWPZFSY-JXQTWKCFSA-N 1 0 252.402 2.413 10 0 CEAERO C[C@@H]([NH2+]C[C@H]1OCCc2ccccc21)[C@@H]1CCCO1 ZINC000071090657 176031631 /nfs/dbraw/zinc/03/16/31/176031631.db2.gz LMMNKZLZJWCJTO-UHOFOFEASA-N 1 0 261.365 2.458 10 0 CEAERO c1ccc2c(c1)CCO[C@H]2COC[C@@H]1CCCC[NH2+]1 ZINC000071091881 176032046 /nfs/dbraw/zinc/03/20/46/176032046.db2.gz DPZMIWFFBVXMGJ-HOCLYGCPSA-N 1 0 261.365 2.459 10 0 CEAERO CC(C)[N@H+](CCCO)C[C@H]1OCCc2ccccc21 ZINC000071098215 176032423 /nfs/dbraw/zinc/03/24/23/176032423.db2.gz XSNKSWVPNLIJBG-MRXNPFEDSA-N 1 0 263.381 2.393 10 0 CEAERO CCOC(=O)[C@@]1(NCC[NH+](C)C)CCC[C@H](CC)C1 ZINC000071126005 176035905 /nfs/dbraw/zinc/03/59/05/176035905.db2.gz WSGUIIVJCYAPIS-DZGCQCFKSA-N 1 0 270.417 2.040 10 0 CEAERO C[NH2+]C[C@@H]1CCN(c2c(F)c(F)c(F)c(F)c2F)C1 ZINC000071148415 176044192 /nfs/dbraw/zinc/04/41/92/176044192.db2.gz DPSBOKPBNXZAFD-LURJTMIESA-N 1 0 280.240 2.428 10 0 CEAERO CC[C@@H]1CCCC[C@]1(C[NH3+])N1CCOCC1(C)C ZINC000071161812 176046038 /nfs/dbraw/zinc/04/60/38/176046038.db2.gz BUXHJWXUGOMJOS-UKRRQHHQSA-N 1 0 254.418 2.395 10 0 CEAERO CC[C@@H]1CCCC[C@]1(NCC[NH+](CC)CC)C(=O)OC ZINC000071162666 176046492 /nfs/dbraw/zinc/04/64/92/176046492.db2.gz VFMXSHKDRAPFBF-GDBMZVCRSA-N 1 0 284.444 2.430 10 0 CEAERO CC[N@H+](C1CC1)[C@@](C)(CN)Cc1ccc(OC)cc1 ZINC000071169089 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CN(C[C@@H]1CC[N@H+](C)C1)c1ccc(N)c2ncccc12 ZINC000071188511 176062541 /nfs/dbraw/zinc/06/25/41/176062541.db2.gz UQXWOBUMNQQKLR-GFCCVEGCSA-N 1 0 270.380 2.205 10 0 CEAERO CN(Cc1ccc(Cl)nc1)C[C@H]1CC[N@H+](C)C1 ZINC000071189062 176064402 /nfs/dbraw/zinc/06/44/02/176064402.db2.gz BIWKJZCBHBUQDA-LBPRGKRZSA-N 1 0 253.777 2.119 10 0 CEAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccc2c(c1)CCCN2 ZINC000071189754 176065316 /nfs/dbraw/zinc/06/53/16/176065316.db2.gz LJRCTJSTABCQGB-CYBMUJFWSA-N 1 0 287.407 2.068 10 0 CEAERO CCOC(=O)c1ncsc1NC[C@H]1CC[N@H+](CC)C1 ZINC000071201876 176078279 /nfs/dbraw/zinc/07/82/79/176078279.db2.gz PPJSKFNSOJTTJI-SNVBAGLBSA-N 1 0 283.397 2.074 10 0 CEAERO C[C@H]1CCC[C@H]1[NH2+][C@@H]1CC(=O)N(C2CCCCC2)C1=O ZINC000071207063 176080456 /nfs/dbraw/zinc/08/04/56/176080456.db2.gz DWIUBHVRRRACNI-IACUBPJLSA-N 1 0 278.396 2.225 10 0 CEAERO C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1F ZINC000071207296 176080973 /nfs/dbraw/zinc/08/09/73/176080973.db2.gz YFUSXMJCEMMTCM-RNCFNFMXSA-N 1 0 250.317 2.203 10 0 CEAERO CCCC1(C(=O)N[C@@H]2CCC[C@@H]2C)CC[NH2+]CC1 ZINC000071209041 176081613 /nfs/dbraw/zinc/08/16/13/176081613.db2.gz NHYMCWMDVRRHKM-QWHCGFSZSA-N 1 0 252.402 2.461 10 0 CEAERO Cc1ncsc1C[NH2+]C[C@H]1CNc2ccccc2O1 ZINC000071213743 176085250 /nfs/dbraw/zinc/08/52/50/176085250.db2.gz MCBRIKNANDDFHZ-NSHDSACASA-N 1 0 275.377 2.414 10 0 CEAERO COCCN(CCC[NH3+])C(=O)c1ccc(C(C)C)cc1 ZINC000071222914 176087985 /nfs/dbraw/zinc/08/79/85/176087985.db2.gz JGSWCIUKGLGHOO-UHFFFAOYSA-N 1 0 278.396 2.247 10 0 CEAERO [NH3+]Cc1cc(F)ccc1Cn1cnc2ccccc2c1=O ZINC000071263780 176096862 /nfs/dbraw/zinc/09/68/62/176096862.db2.gz VGUZWMLIICSICO-UHFFFAOYSA-N 1 0 283.306 2.043 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(NC(=O)NCc2nccn2C)cc1 ZINC000071274494 176105920 /nfs/dbraw/zinc/10/59/20/176105920.db2.gz MNYCYYGKQGHZMJ-NSHDSACASA-N 1 0 287.367 2.022 10 0 CEAERO COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H](O)C1CC1 ZINC000071277801 176107813 /nfs/dbraw/zinc/10/78/13/176107813.db2.gz RYGKOKVWBDRUJG-CVEARBPZSA-N 1 0 261.365 2.433 10 0 CEAERO CCOC(=O)CCCCC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000071293499 176111904 /nfs/dbraw/zinc/11/19/04/176111904.db2.gz QNCYQNQVKOHVKM-OLZOCXBDSA-N 1 0 257.374 2.267 10 0 CEAERO CCC[N@H+](CCCCCC(=O)OCC)CC(=O)OCC ZINC000071297914 176112556 /nfs/dbraw/zinc/11/25/56/176112556.db2.gz KEGQPUWZFYGKFK-UHFFFAOYSA-N 1 0 287.400 2.385 10 0 CEAERO CC(C)c1ccc([C@@H](O)C[NH2+]C[C@H](O)C2CC2)cc1 ZINC000071306074 176115625 /nfs/dbraw/zinc/11/56/25/176115625.db2.gz JBURPOKGVZIXPC-HOTGVXAUSA-N 1 0 263.381 2.204 10 0 CEAERO C[NH2+][C@H](C)c1cccc(N2C(=O)c3ccncc3C2=O)c1 ZINC000071336821 176128229 /nfs/dbraw/zinc/12/82/29/176128229.db2.gz YYPPGDYYQYLWQM-SNVBAGLBSA-N 1 0 281.315 2.163 10 0 CEAERO Cc1ccc(F)c(C(=O)NC[C@@H]2[NH2+]CCC[C@H]2C)c1 ZINC000071338821 176129093 /nfs/dbraw/zinc/12/90/93/176129093.db2.gz FXZIEEWHXODINJ-RISCZKNCSA-N 1 0 264.344 2.252 10 0 CEAERO COc1ccccc1NC(=O)NC[C@H]1[NH2+]CCC[C@H]1C ZINC000071338954 176129510 /nfs/dbraw/zinc/12/95/10/176129510.db2.gz PWXXCJNPLPFNNY-DGCLKSJQSA-N 1 0 277.368 2.205 10 0 CEAERO CC[C@H]1CN(Cc2cnn(C)c2)C2(CCCCC2)C[NH2+]1 ZINC000071345531 176131608 /nfs/dbraw/zinc/13/16/08/176131608.db2.gz DKPPPQKPHFEZOS-HNNXBMFYSA-N 1 0 276.428 2.307 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@H](C(C)(C)C)CN1CCOCCOC ZINC000071348582 176132736 /nfs/dbraw/zinc/13/27/36/176132736.db2.gz VBMGRSUGVPGEKM-HOCLYGCPSA-N 1 0 286.460 2.138 10 0 CEAERO CCC[C@H]1C[NH2+][C@@H](CC(C)C)CN1Cc1ncccn1 ZINC000071350279 176133805 /nfs/dbraw/zinc/13/38/05/176133805.db2.gz XEDZVBSEVVJLQY-GJZGRUSLSA-N 1 0 276.428 2.465 10 0 CEAERO Nc1ccn(CCC[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)n1 ZINC000071352123 176134792 /nfs/dbraw/zinc/13/47/92/176134792.db2.gz RFNUTOZHROERQI-ZIAGYGMSSA-N 1 0 262.401 2.368 10 0 CEAERO CC[C@]1(C)C[NH2+][C@@H](Cc2ccccc2)CN1CCOC ZINC000071353376 176136213 /nfs/dbraw/zinc/13/62/13/176136213.db2.gz QDWFOSXQYHGQRP-DLBZAZTESA-N 1 0 276.424 2.318 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(CCOC)C2(CCCC2)C[NH2+]1 ZINC000071356190 176136527 /nfs/dbraw/zinc/13/65/27/176136527.db2.gz QPSFUJFOUUCYLX-KGLIPLIRSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@H](C)[C@@H]1CN(Cc2ncccn2)[C@H](C(C)C)C[NH2+]1 ZINC000071354812 176136691 /nfs/dbraw/zinc/13/66/91/176136691.db2.gz XFTRDVKMPXRADZ-KKUMJFAQSA-N 1 0 276.428 2.321 10 0 CEAERO CCC[C@@H]1C[NH2+][C@H]([C@@H](C)CC)CN1CCOCCOC ZINC000071354603 176136761 /nfs/dbraw/zinc/13/67/61/176136761.db2.gz UPEDZVRLVLNDFG-XHSDSOJGSA-N 1 0 286.460 2.138 10 0 CEAERO CC[C@]1(C)CN(CCOCCOC)[C@H](C(C)(C)C)C[NH2+]1 ZINC000071357424 176137732 /nfs/dbraw/zinc/13/77/32/176137732.db2.gz TXBYDNUYFHGTRS-GOEBONIOSA-N 1 0 286.460 2.138 10 0 CEAERO C[C@H]1CCC[C@@](CO)([NH2+]Cc2cnn3ccccc23)C1 ZINC000071373516 176139030 /nfs/dbraw/zinc/13/90/30/176139030.db2.gz RHXKPJJDJTUWNT-XJKSGUPXSA-N 1 0 273.380 2.365 10 0 CEAERO CC[C@H]1CCC[C@H]([NH+]2CCN(CC(C)(C)O)CC2)C1 ZINC000071382255 176145790 /nfs/dbraw/zinc/14/57/90/176145790.db2.gz YFLMLAQMBIOVSL-GJZGRUSLSA-N 1 0 268.445 2.344 10 0 CEAERO Cn1ccnc1Sc1nc2ccccc2cc1C(N)=[NH2+] ZINC000071390446 176148533 /nfs/dbraw/zinc/14/85/33/176148533.db2.gz CYJLBLZFTUMWJL-UHFFFAOYSA-N 1 0 283.360 2.404 10 0 CEAERO C[NH+](C)CC(C)(C)CNC(=O)c1ccc(N)c(Cl)c1 ZINC000071394704 176149528 /nfs/dbraw/zinc/14/95/28/176149528.db2.gz OZELMVLCKUTIQF-UHFFFAOYSA-N 1 0 283.803 2.240 10 0 CEAERO CCNC(=O)[C@H](C)Oc1ccc(C[NH3+])cc1C(F)(F)F ZINC000071398411 176151856 /nfs/dbraw/zinc/15/18/56/176151856.db2.gz COOUTBOWBNKKIG-QMMMGPOBSA-N 1 0 290.285 2.068 10 0 CEAERO COC(=O)[C@@H](C)Oc1ccc(CC[NH3+])cc1C(F)(F)F ZINC000071399491 176152159 /nfs/dbraw/zinc/15/21/59/176152159.db2.gz SADQSXDHMXBSJO-MRVPVSSYSA-N 1 0 291.269 2.147 10 0 CEAERO C[NH2+]Cc1cc(C)ccc1OCC(=O)OC(C)C ZINC000071403466 176154766 /nfs/dbraw/zinc/15/47/66/176154766.db2.gz TYHDOEWQIZPDAH-UHFFFAOYSA-N 1 0 251.326 2.045 10 0 CEAERO C[NH2+]Cc1cc(C)ccc1O[C@H](C)C(=O)NCC(C)C ZINC000071403654 176155004 /nfs/dbraw/zinc/15/50/04/176155004.db2.gz IJYBKWMTTIVHDF-CYBMUJFWSA-N 1 0 278.396 2.254 10 0 CEAERO CCC[NH2+]Cc1cc(C)ccc1OCCC(=O)NC ZINC000071406245 176155805 /nfs/dbraw/zinc/15/58/05/176155805.db2.gz QMVDRFXODOEWNH-UHFFFAOYSA-N 1 0 264.369 2.010 10 0 CEAERO COCC[NH2+]Cc1cc(C)ccc1O[C@@H]1CCC[C@@H]1O ZINC000071407497 176156182 /nfs/dbraw/zinc/15/61/82/176156182.db2.gz XQYAUSFPWRJWJV-GOEBONIOSA-N 1 0 279.380 2.023 10 0 CEAERO Cc1ccc(OCCS(C)(=O)=O)c(C[NH2+]C(C)(C)C)c1 ZINC000071407081 176156215 /nfs/dbraw/zinc/15/62/15/176156215.db2.gz IEPCNBODKPEUGP-UHFFFAOYSA-N 1 0 299.436 2.307 10 0 CEAERO CNC(=O)[C@@H](C)Oc1ccc(C)cc1C[NH2+]CC(C)C ZINC000071407349 176156479 /nfs/dbraw/zinc/15/64/79/176156479.db2.gz GYRBLXGJNWDWNL-CYBMUJFWSA-N 1 0 278.396 2.254 10 0 CEAERO Cc1ccc(OCCS(C)(=O)=O)c(C[NH2+]CC(C)C)c1 ZINC000071407254 176156523 /nfs/dbraw/zinc/15/65/23/176156523.db2.gz LMJDVJLOQANJKR-UHFFFAOYSA-N 1 0 299.436 2.164 10 0 CEAERO Cc1nnc(COc2ccc(C)cc2C[C@H](C)[NH3+])o1 ZINC000071411660 176157114 /nfs/dbraw/zinc/15/71/14/176157114.db2.gz WAXFHONATROIQB-JTQLQIEISA-N 1 0 261.325 2.155 10 0 CEAERO Cc1ccc(OCC(=O)N[C@H](C)C(C)C)c(C[C@H](C)[NH3+])c1 ZINC000071411820 176157605 /nfs/dbraw/zinc/15/76/05/176157605.db2.gz NNIXDNCMIFPQPW-UONOGXRCSA-N 1 0 292.423 2.424 10 0 CEAERO CCNC(=O)[C@H](C)Oc1ccc(C)cc1C[C@H]([NH3+])CC ZINC000071412123 176157679 /nfs/dbraw/zinc/15/76/79/176157679.db2.gz MMZVIBDLFZPWEI-GXTWGEPZSA-N 1 0 278.396 2.178 10 0 CEAERO C[C@H]1CC[NH2+]C[C@@H]1N1C(=O)CC2(CCCCCC2)C1=O ZINC000071413278 176158782 /nfs/dbraw/zinc/15/87/82/176158782.db2.gz WWCLWNNKCOOCJA-STQMWFEESA-N 1 0 278.396 2.084 10 0 CEAERO C[NH+]1CCC(n2cc(C(F)(F)F)ccc2=O)CC1 ZINC000071516695 176193727 /nfs/dbraw/zinc/19/37/27/176193727.db2.gz JNDAJIDEEZOYPM-UHFFFAOYSA-N 1 0 260.259 2.134 10 0 CEAERO CC[C@@H]([NH2+]C)C(=O)c1ccc(OC)c(C)c1OC ZINC000071573212 176199728 /nfs/dbraw/zinc/19/97/28/176199728.db2.gz HTOWEXRTXXUGDB-LLVKDONJSA-N 1 0 251.326 2.193 10 0 CEAERO O[C@H](C[NH2+]C1CC1)Cc1ccc(C(F)(F)F)cc1 ZINC000071585115 176210373 /nfs/dbraw/zinc/21/03/73/176210373.db2.gz ADHZGACTGAFDMP-LBPRGKRZSA-N 1 0 259.271 2.361 10 0 CEAERO O[C@H](C[NH2+]C1CC1)Cc1cccc(C(F)(F)F)c1 ZINC000071585105 176210628 /nfs/dbraw/zinc/21/06/28/176210628.db2.gz BROZYXFHDIIYRB-LBPRGKRZSA-N 1 0 259.271 2.361 10 0 CEAERO C[NH2+][C@@H](C(=O)c1cc(OC)c(C)cc1OC)C(C)C ZINC000071597811 176221318 /nfs/dbraw/zinc/22/13/18/176221318.db2.gz YTSKYFXHPRVTHV-CQSZACIVSA-N 1 0 265.353 2.439 10 0 CEAERO COc1cc([C@@H](O)[C@@H](C)[NH2+]C(C)C)c(OC)cc1C ZINC000071599190 176223396 /nfs/dbraw/zinc/22/33/96/176223396.db2.gz LBPOHGQHJRELGZ-ABAIWWIYSA-N 1 0 267.369 2.432 10 0 CEAERO [NH3+]CCc1cn(Cc2cccc(Br)c2)cn1 ZINC000071630710 176236858 /nfs/dbraw/zinc/23/68/58/176236858.db2.gz YVMANUVKBOWOHY-UHFFFAOYSA-N 1 0 280.169 2.195 10 0 CEAERO CC(C)[N@H+](C)C[C@H](O)CN1CCC(c2nccs2)CC1 ZINC000656701633 415823376 /nfs/dbraw/zinc/82/33/76/415823376.db2.gz ZTYZZWHPFRENNJ-AWEZNQCLSA-N 1 0 297.468 2.024 10 0 CEAERO Cc1cnc([C@H](C)NC(=O)c2cccc3c2C[NH2+]C3)o1 ZINC000662514622 415871762 /nfs/dbraw/zinc/87/17/62/415871762.db2.gz PWXIHUMNYCBMTC-JTQLQIEISA-N 1 0 271.320 2.077 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCC(C2CCC2)CC1 ZINC000662630511 415911717 /nfs/dbraw/zinc/91/17/17/415911717.db2.gz KTIGSBRQLQUPQR-SWLSCSKDSA-N 1 0 264.413 2.413 10 0 CEAERO COc1ccc(NC(=O)CC[NH+]2CCCC2)cc1OC ZINC000074693684 176600361 /nfs/dbraw/zinc/60/03/61/176600361.db2.gz HIDMJTDCOQRZIT-UHFFFAOYSA-N 1 0 278.352 2.128 10 0 CEAERO O=C([C@H]1CC[NH2+]C1)N1CCC[C@@H](C2CCCCC2)C1 ZINC000662741553 415951053 /nfs/dbraw/zinc/95/10/53/415951053.db2.gz NLWGFFIZQYBSGL-LSDHHAIUSA-N 1 0 264.413 2.415 10 0 CEAERO CCOc1ccc([C@H](C)NC(=O)C[NH2+]C)cc1Cl ZINC000076408858 177019874 /nfs/dbraw/zinc/01/98/74/177019874.db2.gz HPJSSVWVOUAROA-VIFPVBQESA-N 1 0 270.760 2.135 10 0 CEAERO Fc1ccc(Br)cc1N1CCC[NH2+]CC1 ZINC000076416360 177021846 /nfs/dbraw/zinc/02/18/46/177021846.db2.gz WFGUUTOKQNFDPZ-UHFFFAOYSA-N 1 0 273.149 2.388 10 0 CEAERO COc1ccccc1NC(=O)C[C@@H](C[NH3+])C(C)C ZINC000076654675 177044607 /nfs/dbraw/zinc/04/46/07/177044607.db2.gz SENFOFUFFWXLPH-NSHDSACASA-N 1 0 250.342 2.255 10 0 CEAERO CCNC(=O)[C@@H](CCC[NH3+])c1ccccc1Cl ZINC000076658920 177047622 /nfs/dbraw/zinc/04/76/22/177047622.db2.gz YEXBEIKASWCMQM-NSHDSACASA-N 1 0 254.761 2.299 10 0 CEAERO COc1ccc(OC[C@H](C[NH3+])c2cccnc2)cc1 ZINC000076666116 177050877 /nfs/dbraw/zinc/05/08/77/177050877.db2.gz VZFWSLFTBQNCHB-ZDUSSCGKSA-N 1 0 258.321 2.212 10 0 CEAERO CCC[C@H](CC[NH3+])C(=O)Nc1ccc2c(c1)OCO2 ZINC000076679553 177057292 /nfs/dbraw/zinc/05/72/92/177057292.db2.gz QKGXGURSVYNFEM-SNVBAGLBSA-N 1 0 264.325 2.119 10 0 CEAERO C[C@@H](C[NH3+])CC(=O)Nc1ccccc1Br ZINC000076710919 177067925 /nfs/dbraw/zinc/06/79/25/177067925.db2.gz HNCUOBJIBMZBOV-MRVPVSSYSA-N 1 0 271.158 2.373 10 0 CEAERO Cc1nc2sccn2c1C[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000077204583 177233056 /nfs/dbraw/zinc/23/30/56/177233056.db2.gz CFMCRQSJWFRQSE-WCQYABFASA-N 1 0 279.409 2.345 10 0 CEAERO CC(C)C[C@H](C)N(C)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000078538928 177351835 /nfs/dbraw/zinc/35/18/35/177351835.db2.gz BFLUJTVMSSMMRA-STQMWFEESA-N 1 0 252.402 2.269 10 0 CEAERO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(N)c(Cl)c2)C1 ZINC000078894973 177402667 /nfs/dbraw/zinc/40/26/67/177402667.db2.gz HTDFOLSYGZUQPR-LBPRGKRZSA-N 1 0 295.814 2.479 10 0 CEAERO C[C@H](Cc1ccco1)NC(=O)CC[C@H](C)CC[NH3+] ZINC000079190160 177442064 /nfs/dbraw/zinc/44/20/64/177442064.db2.gz MUKQPHZIHCBGAF-NWDGAFQWSA-N 1 0 252.358 2.092 10 0 CEAERO CC(C)[C@H](CC[NH3+])CCC(=O)OCC1CCOCC1 ZINC000079252032 177458228 /nfs/dbraw/zinc/45/82/28/177458228.db2.gz XDKVQJRPTFOSJS-AWEZNQCLSA-N 1 0 271.401 2.357 10 0 CEAERO CCO[C@@H]1CCCN(C(=O)CC[C@H](CC[NH3+])C(C)C)C1 ZINC000079278171 177462210 /nfs/dbraw/zinc/46/22/10/177462210.db2.gz IQFUPCVVZDGXRX-HUUCEWRRSA-N 1 0 284.444 2.415 10 0 CEAERO CC(C)(C)[C@H](CC[NH3+])CCc1nnc2cnccn21 ZINC000079284937 177463609 /nfs/dbraw/zinc/46/36/09/177463609.db2.gz UYQRZXJLNQEGEB-NSHDSACASA-N 1 0 261.373 2.068 10 0 CEAERO CC(C)(C)[C@@H](CC[NH3+])CCC(=O)NC[C@@H]1CCCOC1 ZINC000079291465 177464899 /nfs/dbraw/zinc/46/48/99/177464899.db2.gz FUVCCKLDZVCNCY-UONOGXRCSA-N 1 0 284.444 2.321 10 0 CEAERO CC(C)(C)[C@@H](CC[NH3+])CCC(=O)N[C@@H]1CCCC[C@@H]1O ZINC000079293407 177465090 /nfs/dbraw/zinc/46/50/90/177465090.db2.gz LTSNFZHSTBMDNB-MCIONIFRSA-N 1 0 284.444 2.197 10 0 CEAERO CCC[C@@H]1CCCN(C(=O)C2CC[NH2+]CC2)CC1 ZINC000079339998 177469367 /nfs/dbraw/zinc/46/93/67/177469367.db2.gz XZCJOUIXQTYJSL-CYBMUJFWSA-N 1 0 252.402 2.415 10 0 CEAERO CCN[C@@](C)(C[N@@H+]1CCC[C@@H](CC)CC1)C(=O)OC ZINC000079365987 177472654 /nfs/dbraw/zinc/47/26/54/177472654.db2.gz RYNILGQITYPIJZ-HIFRSBDPSA-N 1 0 270.417 2.040 10 0 CEAERO COC(=O)c1ccc(Cl)cc1NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079513381 177510845 /nfs/dbraw/zinc/51/08/45/177510845.db2.gz HWFWKLBIGIOVAO-CQSZACIVSA-N 1 0 296.754 2.207 10 0 CEAERO CC(C)OCCOC[C@H](O)C[NH2+]C1CCC(C)(C)CC1 ZINC000079678859 177536484 /nfs/dbraw/zinc/53/64/84/177536484.db2.gz ZBGQINBQEAFRDM-OAHLLOKOSA-N 1 0 287.444 2.347 10 0 CEAERO NC(=[NH2+])COc1cccc(NC(=O)NC2CCCCC2)c1 ZINC000079780358 177557776 /nfs/dbraw/zinc/55/77/76/177557776.db2.gz MOPCZIASXYGOAH-UHFFFAOYSA-N 1 0 290.367 2.456 10 0 CEAERO Cc1nn(C[C@@H]2CC[C@@H](C[NH2+]C(C)C)O2)cc1Cl ZINC000080017881 177597231 /nfs/dbraw/zinc/59/72/31/177597231.db2.gz WJANLXHNADRPKK-RYUDHWBXSA-N 1 0 271.792 2.391 10 0 CEAERO C[C@@H]1CN(C(=O)c2cccc(C(C)(C)C)c2)C[C@H]1[NH3+] ZINC000567406372 299061792 /nfs/dbraw/zinc/06/17/92/299061792.db2.gz IZXZUKHFKXOFEN-BXUZGUMPSA-N 1 0 260.381 2.403 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)N1CCc2sccc2C1 ZINC000136291394 419440084 /nfs/dbraw/zinc/44/00/84/419440084.db2.gz MIRVDOFSTOPCDG-LLVKDONJSA-N 1 0 252.383 2.006 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000136349866 419444345 /nfs/dbraw/zinc/44/43/45/419444345.db2.gz LZNQMGJHMVGDEG-CQSZACIVSA-N 1 0 284.363 2.456 10 0 CEAERO COc1ccc(NC(=O)C[C@H]([NH3+])C(C)C)c(OC)c1 ZINC000136293372 419444985 /nfs/dbraw/zinc/44/49/85/419444985.db2.gz ICFASDHUCJJZDC-NSHDSACASA-N 1 0 266.341 2.016 10 0 CEAERO COc1cccc([C@H](C)NC(=O)C[C@@H]([NH3+])C(C)C)c1 ZINC000136366775 419445544 /nfs/dbraw/zinc/44/55/44/419445544.db2.gz OKZPGPKXKFXBIT-SMDDNHRTSA-N 1 0 264.369 2.246 10 0 CEAERO Cc1csc([C@H](C)NC(=O)C[C@@H]([NH3+])C(C)C)n1 ZINC000136471517 419446177 /nfs/dbraw/zinc/44/61/77/419446177.db2.gz HLEMRWZUGSAWFD-VHSXEESVSA-N 1 0 255.387 2.002 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)NCc1cccc(Br)c1 ZINC000136439271 419447068 /nfs/dbraw/zinc/44/70/68/419447068.db2.gz RNPFLIIPOQLEEC-LBPRGKRZSA-N 1 0 299.212 2.439 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000136436501 419447284 /nfs/dbraw/zinc/44/72/84/419447284.db2.gz AKNGPSLMUSZRHJ-AWEZNQCLSA-N 1 0 289.379 2.347 10 0 CEAERO CCN(CCCNC(=O)C[C@H]([NH3+])C(C)C)c1ccccc1 ZINC000136431678 419447487 /nfs/dbraw/zinc/44/74/87/419447487.db2.gz DNFQXUWITWGZOP-INIZCTEOSA-N 1 0 291.439 2.393 10 0 CEAERO Cc1cc(C)c(O)c(NC(=O)C[C@@H]([NH3+])C(C)C)c1 ZINC000136488723 419448407 /nfs/dbraw/zinc/44/84/07/419448407.db2.gz PBIIHGSLLHGURS-LLVKDONJSA-N 1 0 250.342 2.321 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1NCc1ccnc2ccccc12 ZINC000666885655 419455828 /nfs/dbraw/zinc/45/58/28/419455828.db2.gz KNDXLEMACNSNEF-DOMZBBRYSA-N 1 0 255.365 2.465 10 0 CEAERO C[C@H]1CCCN(c2ccc(OC(F)F)cn2)[C@H]1C[NH3+] ZINC000262140131 299852861 /nfs/dbraw/zinc/85/28/61/299852861.db2.gz DVWHOUDDNSDWPU-ONGXEEELSA-N 1 0 271.311 2.247 10 0 CEAERO O=C(OCc1ccccc1)N1CC[C@]12CCCC[NH2+]2 ZINC000091690570 260163572 /nfs/dbraw/zinc/16/35/72/260163572.db2.gz ADVRPMHYMUXPSQ-HNNXBMFYSA-N 1 0 260.337 2.499 10 0 CEAERO C[C@@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)[C@@H]1CCCO1 ZINC000044276750 270229269 /nfs/dbraw/zinc/22/92/69/270229269.db2.gz DLWZADLYDXLQFZ-DOMZBBRYSA-N 1 0 291.395 2.437 10 0 CEAERO CC1(C)C(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C1(C)C ZINC000174343414 270239652 /nfs/dbraw/zinc/23/96/52/270239652.db2.gz UIRISQHQHOGJCM-LBPRGKRZSA-N 1 0 264.413 2.365 10 0 CEAERO Cc1ncc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)s1 ZINC000398715854 270361195 /nfs/dbraw/zinc/36/11/95/270361195.db2.gz QIRWNWYDCBCVKK-SDDRHHMPSA-N 1 0 252.383 2.044 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2SCCc3sccc32)C1 ZINC000173045972 273808336 /nfs/dbraw/zinc/80/83/36/273808336.db2.gz GLCXIAKSAQKRJR-MFKMUULPSA-N 1 0 296.461 2.241 10 0 CEAERO C[C@H](C(=O)N[C@@H]1CCSc2c(F)cccc21)C1C[NH2+]C1 ZINC000262063474 274465710 /nfs/dbraw/zinc/46/57/10/274465710.db2.gz IUGKHUXEHMFQPS-TVQRCGJNSA-N 1 0 294.395 2.334 10 0 CEAERO C[C@H]([NH3+])CC(=O)Nc1nc2cc(F)c(F)cc2s1 ZINC000261923730 274502524 /nfs/dbraw/zinc/50/25/24/274502524.db2.gz XWZWPEYMZIGVAK-YFKPBYRVSA-N 1 0 271.292 2.250 10 0 CEAERO Cc1cc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)ncc1Br ZINC000261547677 274709979 /nfs/dbraw/zinc/70/99/79/274709979.db2.gz IMHSRBSSPKOCOQ-PWSUYJOCSA-N 1 0 296.212 2.341 10 0 CEAERO Cc1ccc(Br)cc1C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000261540593 274735840 /nfs/dbraw/zinc/73/58/40/274735840.db2.gz AHMKCLDCQTTYOW-SKDRFNHKSA-N 1 0 297.196 2.319 10 0 CEAERO Clc1cncnc1N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000097848145 274885471 /nfs/dbraw/zinc/88/54/71/274885471.db2.gz AHHGMUNCJCNMGD-GFCCVEGCSA-N 1 0 266.776 2.098 10 0 CEAERO CC1(C)CN(C(=O)[C@@H]2Cc3ccccc3S2)CC[C@@H]1[NH3+] ZINC000261852407 275840238 /nfs/dbraw/zinc/84/02/38/275840238.db2.gz WYFXFIUQMSJQSL-KBPBESRZSA-N 1 0 290.432 2.289 10 0 CEAERO CC[N@H+](C)[C@@H]1CCN(c2nc3cc(F)ccc3o2)C1 ZINC000302757801 276077423 /nfs/dbraw/zinc/07/74/23/276077423.db2.gz JAQGVFQEOANXLG-LLVKDONJSA-N 1 0 263.316 2.497 10 0 CEAERO CC[N@H+](C)[C@H]1CCN(c2nc(C)nc3c2CCCC3)C1 ZINC000302825612 276078632 /nfs/dbraw/zinc/07/86/32/276078632.db2.gz MLHGCOLUEIGFMT-ZDUSSCGKSA-N 1 0 274.412 2.194 10 0 CEAERO CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2O ZINC000037126703 276319064 /nfs/dbraw/zinc/31/90/64/276319064.db2.gz PAJOAOUZMVGTEX-BXUZGUMPSA-N 1 0 276.380 2.226 10 0 CEAERO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+][C@@H]1CCc2ncnn2C1 ZINC000246473562 276516705 /nfs/dbraw/zinc/51/67/05/276516705.db2.gz QRCRMYXMLAKCTL-AAVRWANBSA-N 1 0 262.401 2.397 10 0 CEAERO COC(=O)[C@@H](C)C[N@@H+]1CCc2sccc2[C@H]1C ZINC000251244963 277075058 /nfs/dbraw/zinc/07/50/58/277075058.db2.gz UGIGEDOCVYIGPA-VHSXEESVSA-N 1 0 253.367 2.476 10 0 CEAERO CN1CCO[C@H](C[NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)C1 ZINC000123494202 277128054 /nfs/dbraw/zinc/12/80/54/277128054.db2.gz KQAXZEATEQJHIV-BRWVUGGUSA-N 1 0 288.435 2.489 10 0 CEAERO C[NH2+]C[C@H]1CCCN1c1nccc(C)c1Br ZINC000234384873 277285881 /nfs/dbraw/zinc/28/58/81/277285881.db2.gz JZPURAOAGHWCFR-SNVBAGLBSA-N 1 0 284.201 2.341 10 0 CEAERO CC(C)Cc1ncc(CN2CCO[C@H](C[NH+](C)C)C2)s1 ZINC000156650881 277513429 /nfs/dbraw/zinc/51/34/29/277513429.db2.gz QWAOCPZHUOBTBO-CYBMUJFWSA-N 1 0 297.468 2.104 10 0 CEAERO COc1cc(C)nc(N[C@@H](C[NH3+])C2CCCCC2)n1 ZINC000164219550 277811941 /nfs/dbraw/zinc/81/19/41/277811941.db2.gz DRQSBBVTUBNKPQ-LBPRGKRZSA-N 1 0 264.373 2.113 10 0 CEAERO C[C@@H](C[NH3+])CNc1ccnc2cc(Br)cnc21 ZINC000135571088 278245534 /nfs/dbraw/zinc/24/55/34/278245534.db2.gz BNATVFWGZIPWCR-QMMMGPOBSA-N 1 0 295.184 2.399 10 0 CEAERO C[C@H](O)CN1CC[N@H+](C[C@@H](C)Cc2ccccc2)C[C@H]1C ZINC000248618620 278294692 /nfs/dbraw/zinc/29/46/92/278294692.db2.gz ZQMCRYPJURWHSG-BBWFWOEESA-N 1 0 290.451 2.252 10 0 CEAERO C[C@@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)c1ccnn1C ZINC000343548982 278341969 /nfs/dbraw/zinc/34/19/69/278341969.db2.gz KQCADOMRVILHIG-IJLUTSLNSA-N 1 0 251.374 2.274 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cc(F)c(F)c(F)c1 ZINC000180602258 278376226 /nfs/dbraw/zinc/37/62/26/278376226.db2.gz RHAXNYXPDKAFLJ-PSASIEDQSA-N 1 0 296.296 2.361 10 0 CEAERO C[C@H]1CN(C(=O)c2cc3c(s2)CCCCC3)C[C@@H]1[NH3+] ZINC000235686789 278411840 /nfs/dbraw/zinc/41/18/40/278411840.db2.gz PKHSEWZPRIJCQD-JQWIXIFHSA-N 1 0 278.421 2.436 10 0 CEAERO CCC1(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)CCC1 ZINC000176219628 278616804 /nfs/dbraw/zinc/61/68/04/278616804.db2.gz WQRDLPMOBVMALF-AWEZNQCLSA-N 1 0 296.455 2.118 10 0 CEAERO CCC1(CC)CCN(C(=O)[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000094803457 278626895 /nfs/dbraw/zinc/62/68/95/278626895.db2.gz YYPXJVKGKSJBCY-OLZOCXBDSA-N 1 0 252.402 2.413 10 0 CEAERO C[C@@H]1CN(Cc2c(F)cccc2N2CCCC2)C[C@@H]1[NH3+] ZINC000262012314 278773766 /nfs/dbraw/zinc/77/37/66/278773766.db2.gz MIXOEXOYWGZAMS-DOMZBBRYSA-N 1 0 277.387 2.205 10 0 CEAERO C[C@@H]1CN(c2ncc(Cl)cc2Br)C[C@@H]1[NH3+] ZINC000235402215 278814362 /nfs/dbraw/zinc/81/43/62/278814362.db2.gz UKKUXCUOIGTIQM-MUWHJKNJSA-N 1 0 290.592 2.281 10 0 CEAERO CCC[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(OC)cc1 ZINC000180493532 278871937 /nfs/dbraw/zinc/87/19/37/278871937.db2.gz HSWHNWIHURVNFZ-IAGOWNOFSA-N 1 0 292.423 2.457 10 0 CEAERO C[C@@H]1Cc2ccccc2N(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000227805811 279017612 /nfs/dbraw/zinc/01/76/12/279017612.db2.gz BPNSSYXIDAZKAY-MRVWCRGKSA-N 1 0 258.365 2.339 10 0 CEAERO CCN(C)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000335336742 279021077 /nfs/dbraw/zinc/02/10/77/279021077.db2.gz NKLUMOZNUGQGRD-UHFFFAOYSA-N 1 0 253.390 2.008 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)C1 ZINC000263494096 279059668 /nfs/dbraw/zinc/05/96/68/279059668.db2.gz JGAYBKDRZDNQFL-SFHDSZBYSA-N 1 0 282.428 2.338 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@H]1CCCc2ccccc21 ZINC000261635319 279114339 /nfs/dbraw/zinc/11/43/39/279114339.db2.gz WLHLAVGBQRYISO-KCPJHIHWSA-N 1 0 258.365 2.055 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@H]1CCCc2sccc21 ZINC000261592165 279114368 /nfs/dbraw/zinc/11/43/68/279114368.db2.gz YJSXWLYASYIXLO-YUSALJHKSA-N 1 0 264.394 2.116 10 0 CEAERO CC(C)C[C@]1(CO)CCC[N@@H+]1C[C@@H](O)COC(C)(C)C ZINC000249034547 279239550 /nfs/dbraw/zinc/23/95/50/279239550.db2.gz FUURODIQIJWKGH-ZBFHGGJFSA-N 1 0 287.444 2.035 10 0 CEAERO Fc1ccc(N[C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261873125 279463397 /nfs/dbraw/zinc/46/33/97/279463397.db2.gz DIBQVSNTSDHQTL-KFWWJZLASA-N 1 0 264.344 2.395 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+][C@]2(C)CCOC2)C1 ZINC000120244327 279755964 /nfs/dbraw/zinc/75/59/64/279755964.db2.gz XMXYMWXFAUZHFZ-CZUORRHYSA-N 1 0 298.427 2.402 10 0 CEAERO C[NH+](C)C[C@@H](NC(=O)c1ccccc1O)c1ccccc1 ZINC000123491065 279792825 /nfs/dbraw/zinc/79/28/25/279792825.db2.gz DMNCRQZRCYYEEH-OAHLLOKOSA-N 1 0 284.359 2.425 10 0 CEAERO C[C@H]1CC[C@H](NC(=O)N[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000417556636 280044845 /nfs/dbraw/zinc/04/48/45/280044845.db2.gz PCGVYIPVPRPKMR-LPWJVIDDSA-N 1 0 253.390 2.005 10 0 CEAERO C[C@@H]1C[C@@H]1c1ccc(CN2CCCNC(=O)[C@@H]2C)o1 ZINC000189085365 280142661 /nfs/dbraw/zinc/14/26/61/280142661.db2.gz SYQFVEAVIGLMTO-MDZLAQPJSA-N 1 0 262.353 2.113 10 0 CEAERO COc1c(C[N@@H+]2CCSCC[C@H]2C)c(C)nn1C ZINC000191811837 280176001 /nfs/dbraw/zinc/17/60/01/280176001.db2.gz RDNZBOBDRCMQDI-SNVBAGLBSA-N 1 0 269.414 2.065 10 0 CEAERO C[C@H](CC[NH2+][C@@H]1CCOC[C@@H]1C)NC(=O)OC(C)(C)C ZINC000192554966 280182247 /nfs/dbraw/zinc/18/22/47/280182247.db2.gz PNUUILJKRHSCBY-YNEHKIRRSA-N 1 0 286.416 2.304 10 0 CEAERO O=C(N1CC[N@@H+]2CCC[C@H]2C1)C1(c2ccc(F)cc2)CC1 ZINC000195328547 280202020 /nfs/dbraw/zinc/20/20/20/280202020.db2.gz VWSQJVSJKGAFEQ-HNNXBMFYSA-N 1 0 288.366 2.164 10 0 CEAERO CC[C@@H](O)CN1CC[NH+](CC2CCCCCC2)CC1 ZINC000123475416 280207064 /nfs/dbraw/zinc/20/70/64/280207064.db2.gz GNWXQGXFOXSENK-MRXNPFEDSA-N 1 0 268.445 2.345 10 0 CEAERO CC(C)[C@H](C)NC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000125692531 280219845 /nfs/dbraw/zinc/21/98/45/280219845.db2.gz NOUYUICWSDCZJY-STQMWFEESA-N 1 0 255.406 2.205 10 0 CEAERO COC[C@H](O)CC[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000245604044 280252689 /nfs/dbraw/zinc/25/26/89/280252689.db2.gz QCHAXWITZXZJBP-LJISPDSOSA-N 1 0 257.418 2.434 10 0 CEAERO Cc1c([C@H](C)[NH2+][C@@H]2CCc3ncnn3C2)cnn1C(C)C ZINC000191357334 280256069 /nfs/dbraw/zinc/25/60/69/280256069.db2.gz OCKMHVLCGFJPCH-WCQYABFASA-N 1 0 288.399 2.030 10 0 CEAERO CCNc1ncc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)s1 ZINC000245906047 280265575 /nfs/dbraw/zinc/26/55/75/280265575.db2.gz AZDRCYOAOXMLKJ-MNOVXSKESA-N 1 0 296.440 2.033 10 0 CEAERO CCc1ncsc1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246198334 280279555 /nfs/dbraw/zinc/27/95/55/280279555.db2.gz ANZWTFFVAMWBEN-PWSUYJOCSA-N 1 0 281.425 2.164 10 0 CEAERO Cc1ccc(NC(=O)CN2CC[N@@H+]3CCC[C@H]3C2)cc1C ZINC000246371451 280289776 /nfs/dbraw/zinc/28/97/76/280289776.db2.gz OAMJRXWMDBSBFU-INIZCTEOSA-N 1 0 287.407 2.022 10 0 CEAERO CC[C@H]1CN(C(=O)C(C)(C)CC(C)C)CC[N@@H+]1C[C@H](C)O ZINC000246394338 280291075 /nfs/dbraw/zinc/29/10/75/280291075.db2.gz KGISXDBQBDSICF-GJZGRUSLSA-N 1 0 298.471 2.362 10 0 CEAERO Clc1cccc(OCCN2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000246568030 280301287 /nfs/dbraw/zinc/30/12/87/280301287.db2.gz RRVWARVEFMHBDE-AWEZNQCLSA-N 1 0 280.799 2.499 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@H]1CCCC1(C)C ZINC000247276876 280324567 /nfs/dbraw/zinc/32/45/67/280324567.db2.gz WXICASCHJYJLFH-RDBSUJKOSA-N 1 0 279.428 2.443 10 0 CEAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1C[C@@H](O)C(F)(F)F ZINC000248546250 280351959 /nfs/dbraw/zinc/35/19/59/280351959.db2.gz DSRMHQDVTGGRKF-GHMZBOCLSA-N 1 0 291.317 2.097 10 0 CEAERO C[C@@H](NC(=O)[C@H]1CC[C@@H](C)O1)[C@H](c1ccccc1)[NH+](C)C ZINC000248627080 280356073 /nfs/dbraw/zinc/35/60/73/280356073.db2.gz FCCJGCQIOIDPCA-RRCSTGOVSA-N 1 0 290.407 2.362 10 0 CEAERO CCCCOC[C@@H](O)C[N@H+](C)[C@H](C)c1ccco1 ZINC000248654695 280357760 /nfs/dbraw/zinc/35/77/60/280357760.db2.gz PTDAIKUPSJEKFD-OLZOCXBDSA-N 1 0 255.358 2.450 10 0 CEAERO COc1ccc([C@@H](C)C[N@@H+]2CCCNC(=O)[C@H]2C)cc1 ZINC000249031451 280380254 /nfs/dbraw/zinc/38/02/54/280380254.db2.gz LRXMJRYTUUPZPN-QWHCGFSZSA-N 1 0 276.380 2.009 10 0 CEAERO COC[C@H](C)C[N@@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000249249974 280389654 /nfs/dbraw/zinc/38/96/54/280389654.db2.gz BVHYMAZDNAHIAX-GMXABZIVSA-N 1 0 285.334 2.355 10 0 CEAERO Cc1cc(Cl)ccc1C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000261559265 280505691 /nfs/dbraw/zinc/50/56/91/280505691.db2.gz SZWHXNRNBGEDPC-BXKDBHETSA-N 1 0 252.745 2.210 10 0 CEAERO C[C@H]([NH3+])CCNCc1cc(Br)ccc1F ZINC000258854272 280527519 /nfs/dbraw/zinc/52/75/19/280527519.db2.gz XUQICQFMQZIZJV-QMMMGPOBSA-N 1 0 275.165 2.415 10 0 CEAERO C[C@@H]1C[C@H]([NH2+]CCN2CCC(O)CC2)CC(C)(C)C1 ZINC000321513914 280599896 /nfs/dbraw/zinc/59/98/96/280599896.db2.gz GCCWBVSEPIVLOT-KGLIPLIRSA-N 1 0 268.445 2.248 10 0 CEAERO COc1ccc([C@H](C)N[C@@H]2CCC[NH2+][C@@H]2C)c(OC)c1 ZINC000396586139 280674725 /nfs/dbraw/zinc/67/47/25/280674725.db2.gz VBQSROAPZGINTP-YWPYICTPSA-N 1 0 278.396 2.495 10 0 CEAERO CCC[C@H]([NH2+]C[C@@H]1CN(C)CCO1)[C@@H]1CC1(C)C ZINC000397748162 280683120 /nfs/dbraw/zinc/68/31/20/280683120.db2.gz BJVDBWXZUAEPQH-RDBSUJKOSA-N 1 0 254.418 2.121 10 0 CEAERO Cc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)cc1Cl ZINC000282327640 280829523 /nfs/dbraw/zinc/82/95/23/280829523.db2.gz LKPXAGSYYLIFEU-GXFFZTMASA-N 1 0 266.772 2.405 10 0 CEAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3ncnn3C2)cc1 ZINC000180590550 280980499 /nfs/dbraw/zinc/98/04/99/280980499.db2.gz UHSOJRNKMSNVBU-GXTWGEPZSA-N 1 0 256.353 2.252 10 0 CEAERO Cc1ccc2[nH+]ccc(N[C@@H]3CCS(=O)(=O)C3)c2c1 ZINC000302146502 281171691 /nfs/dbraw/zinc/17/16/91/281171691.db2.gz IEXHKTSTAYSTNM-LLVKDONJSA-N 1 0 276.361 2.142 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(F)(F)F ZINC000092696068 288310993 /nfs/dbraw/zinc/31/09/93/288310993.db2.gz QWFJHFURLFAAIP-WDEREUQCSA-N 1 0 250.308 2.497 10 0 CEAERO Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H]3CCCO3)C2)n1 ZINC000249903532 281246093 /nfs/dbraw/zinc/24/60/93/281246093.db2.gz UGVCHBKMMBQRIE-LSDHHAIUSA-N 1 0 275.396 2.303 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC(C)(C)C ZINC000246441719 288315809 /nfs/dbraw/zinc/31/58/09/288315809.db2.gz UEGUPOPZGAGXHE-STQMWFEESA-N 1 0 267.417 2.301 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CCOC(C)(C)C ZINC000245442016 288317938 /nfs/dbraw/zinc/31/79/38/288317938.db2.gz VWQPENYBXAZKKZ-KBPBESRZSA-N 1 0 254.418 2.360 10 0 CEAERO CC1(C)Cc2occc2[C@H]([NH2+][C@@H]2CCc3ncnn3C2)C1 ZINC000180601100 281377325 /nfs/dbraw/zinc/37/73/25/281377325.db2.gz XHGTZWKCFURLOO-DGCLKSJQSA-N 1 0 286.379 2.489 10 0 CEAERO Cc1nc2c(s1)[C@@H]([NH2+]C[C@@H](C)N1CCOCC1)CCC2 ZINC000123461006 282033868 /nfs/dbraw/zinc/03/38/68/282033868.db2.gz BENRCTRPEBYFNS-YPMHNXCESA-N 1 0 295.452 2.139 10 0 CEAERO CCOCCC1(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)CCC1 ZINC000124035752 289052140 /nfs/dbraw/zinc/05/21/40/289052140.db2.gz JEZKWPJIVZVUMV-GJZGRUSLSA-N 1 0 296.455 2.428 10 0 CEAERO COC[C@H](C)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000153820170 289123637 /nfs/dbraw/zinc/12/36/37/289123637.db2.gz BMQKIMYTZISTBT-HNNXBMFYSA-N 1 0 296.455 2.384 10 0 CEAERO C[C@H](C(=O)N1[C@H](C)C[C@H]2CCCC[C@@H]21)C1C[NH2+]C1 ZINC000262307612 289325095 /nfs/dbraw/zinc/32/50/95/289325095.db2.gz BLICPTBVUPWXOW-CZXHOFHRSA-N 1 0 250.386 2.022 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)c1ccccc1F ZINC000282264548 290001855 /nfs/dbraw/zinc/00/18/55/290001855.db2.gz HHUDACGZTGYMGL-OPQQBVKSSA-N 1 0 250.317 2.143 10 0 CEAERO C[C@H]1CCN(C(=O)c2ccc3ncccc3c2)[C@@H](C[NH3+])C1 ZINC000235709342 290566542 /nfs/dbraw/zinc/56/65/42/290566542.db2.gz SSFZBLCPLHTFDK-SWLSCSKDSA-N 1 0 283.375 2.434 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000261651761 295314923 /nfs/dbraw/zinc/31/49/23/295314923.db2.gz DOFJOUBRTAOXGM-REWJHTLYSA-N 1 0 250.386 2.153 10 0 CEAERO [NH3+][C@H]1CC[C@H](C(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000097092082 295341332 /nfs/dbraw/zinc/34/13/32/295341332.db2.gz HXBAAOOCUCQFGK-FUDOWXGNSA-N 1 0 262.397 2.199 10 0 CEAERO CC(C)c1nsc(N2CC[C@]3(C2)CCC[NH2+]C3)n1 ZINC000515048557 297562377 /nfs/dbraw/zinc/56/23/77/297562377.db2.gz ISURFHVRORSYLG-CYBMUJFWSA-N 1 0 266.414 2.241 10 0 CEAERO [NH3+]C[C@@H]1CCCN1Cc1cccnc1C(F)(F)F ZINC000530212108 298050797 /nfs/dbraw/zinc/05/07/97/298050797.db2.gz OPOZLHAZRLKMOB-JTQLQIEISA-N 1 0 259.275 2.024 10 0 CEAERO C[C@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)C(C)(C)C ZINC000122358137 298295902 /nfs/dbraw/zinc/29/59/02/298295902.db2.gz NZJOAUZJPCDBMQ-UPJWGTAASA-N 1 0 252.402 2.412 10 0 CEAERO Cc1ccccc1C1(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000193534052 302091937 /nfs/dbraw/zinc/09/19/37/302091937.db2.gz YVTRLJNOCFEFQQ-UKRRQHHQSA-N 1 0 272.392 2.283 10 0 CEAERO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000262877138 302165154 /nfs/dbraw/zinc/16/51/54/302165154.db2.gz VOCHKCHUGYVGPI-OEAJRASXSA-N 1 0 272.392 2.213 10 0 CEAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000261606096 303364153 /nfs/dbraw/zinc/36/41/53/303364153.db2.gz DLXHXTRKPBOQBN-KXCXXGIZSA-N 1 0 262.397 2.055 10 0 CEAERO C[C@H]1COC[C@H](C)[NH+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181714570 312795755 /nfs/dbraw/zinc/79/57/55/312795755.db2.gz NVTSJIPVLJLLMZ-KBPBESRZSA-N 1 0 296.455 2.380 10 0 CEAERO COCC[C@](C)(O)C[NH2+]C[C@@H](C)c1ccc(OC)cc1 ZINC000182210710 312809597 /nfs/dbraw/zinc/80/95/97/312809597.db2.gz QXOCUTKTFYPOLE-CJNGLKHVSA-N 1 0 281.396 2.176 10 0 CEAERO C[C@H](Nc1ccc(C(=O)N(C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000576328319 314264282 /nfs/dbraw/zinc/26/42/82/314264282.db2.gz DRYAPPBWCDOUKX-GXTWGEPZSA-N 1 0 275.396 2.188 10 0 CEAERO O[C@H](C[NH2+]CC1=CCCCC1)COCc1ccco1 ZINC000379748153 321827764 /nfs/dbraw/zinc/82/77/64/321827764.db2.gz ZMOVBQRWVJNQAP-CQSZACIVSA-N 1 0 265.353 2.247 10 0 CEAERO Cc1cnc(N2CCC([C@@H]3CCC[NH2+]3)CC2)nc1C ZINC000386621985 321872560 /nfs/dbraw/zinc/87/25/60/321872560.db2.gz DKBCQPHSKGKMJV-AWEZNQCLSA-N 1 0 260.385 2.062 10 0 CEAERO CC(F)(F)CCC[NH2+]C[C@@H](O)COCc1ccco1 ZINC000390090436 321893233 /nfs/dbraw/zinc/89/32/33/321893233.db2.gz IRXRDJSDPRUKMY-LLVKDONJSA-N 1 0 277.311 2.182 10 0 CEAERO CCN(C(=O)OC(C)(C)C)[C@H]1CO[C@@]2(CCC[NH2+]2)C1 ZINC000536956067 330383150 /nfs/dbraw/zinc/38/31/50/330383150.db2.gz UGQWQANPCVMJPS-RISCZKNCSA-N 1 0 270.373 2.112 10 0 CEAERO CC(C)[NH2+]CCCC(=O)Nc1ccccc1[C@@H](C)O ZINC000049547369 519720704 /nfs/dbraw/zinc/72/07/04/519720704.db2.gz ABNQAYUVHYNETC-GFCCVEGCSA-N 1 0 264.369 2.457 10 0 CEAERO CC(C)[NH2+][C@@H](CC[N@H+](C)[C@@H]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000062459712 519734055 /nfs/dbraw/zinc/73/40/55/519734055.db2.gz MDQMMVLHQLPECV-MCIONIFRSA-N 1 0 270.417 2.338 10 0 CEAERO CC(C)[NH2+][C@@](C)(CCCOc1ccc(F)cc1)C(N)=O ZINC000045517677 519736054 /nfs/dbraw/zinc/73/60/54/519736054.db2.gz FFVAQYCUOZDLRS-HNNXBMFYSA-N 1 0 282.359 2.227 10 0 CEAERO CC(C)[NH2+][C@](CO)(CN(C)c1ccc(F)cc1)C1CC1 ZINC000070338288 519740589 /nfs/dbraw/zinc/74/05/89/519740589.db2.gz QMSYHDJHUZXJCN-INIZCTEOSA-N 1 0 280.387 2.401 10 0 CEAERO CC(C)C[NH2+]Cc1nnnn1[C@@H](C)c1ccsc1 ZINC000061367331 519748902 /nfs/dbraw/zinc/74/89/02/519748902.db2.gz AENDDAFOSKOBSB-JTQLQIEISA-N 1 0 265.386 2.090 10 0 CEAERO CC(C)OCCOC[C@H](O)C[NH2+][C@H](C)C1CCCCC1 ZINC000052337135 519768653 /nfs/dbraw/zinc/76/86/53/519768653.db2.gz XTZRINUNXXIIIP-GDBMZVCRSA-N 1 0 287.444 2.347 10 0 CEAERO CC(C)CSC[C@@]([NH2+]C(C)C)(C(N)=O)C1CC1 ZINC000069184218 519769587 /nfs/dbraw/zinc/76/95/87/519769587.db2.gz KAPNFVYRDUFFSQ-ZDUSSCGKSA-N 1 0 258.431 2.008 10 0 CEAERO CC(C)Oc1nc(Cl)nc(NCC(C)(C)[NH+](C)C)n1 ZINC000061540610 519785660 /nfs/dbraw/zinc/78/56/60/519785660.db2.gz RIBZQNLAJDDNPA-UHFFFAOYSA-N 1 0 287.795 2.064 10 0 CEAERO CCCN1CCC([N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)CC1 ZINC000054626720 519845085 /nfs/dbraw/zinc/84/50/85/519845085.db2.gz WCWRKRIYUUIELJ-OKILXGFUSA-N 1 0 250.386 2.057 10 0 CEAERO CC[NH2+]CCOc1ncnc2sc(C)c(C)c21 ZINC000051868889 519925220 /nfs/dbraw/zinc/92/52/20/519925220.db2.gz IBWFBDIRQQPFHP-UHFFFAOYSA-N 1 0 251.355 2.296 10 0 CEAERO CC[NH2+]CCc1c(C)nc(N2CCCCC2)nc1C ZINC000054853707 519928678 /nfs/dbraw/zinc/92/86/78/519928678.db2.gz XUNHQNOFRUBLBP-UHFFFAOYSA-N 1 0 262.401 2.236 10 0 CEAERO CCC[NH2+]Cc1nnnn1-c1ccc(C(C)C)cc1 ZINC000054744704 519970332 /nfs/dbraw/zinc/97/03/32/519970332.db2.gz MUYNPJXGSNZQSR-UHFFFAOYSA-N 1 0 259.357 2.285 10 0 CEAERO CC[NH2+]Cc1cc(CN2C[C@H](C)OC[C@@H]2C)oc1C ZINC000052476383 519990919 /nfs/dbraw/zinc/99/09/19/519990919.db2.gz YEJXHBATCLNCMP-RYUDHWBXSA-N 1 0 266.385 2.307 10 0 CEAERO CC[NH2+]Cc1oc(CN2CCOCC2(C)C)cc1C ZINC000052546246 520028121 /nfs/dbraw/zinc/02/81/21/520028121.db2.gz JKHHRANQLUWGBB-UHFFFAOYSA-N 1 0 266.385 2.308 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N[C@@H](C)c1ccccc1F ZINC000061271475 520064673 /nfs/dbraw/zinc/06/46/73/520064673.db2.gz KYWCYDYSIRRKTN-QWRGUYRKSA-N 1 0 252.333 2.391 10 0 CEAERO CCCCCCOC[C@@]([NH2+]CCC)(C(N)=O)C1CC1 ZINC000069195223 520100923 /nfs/dbraw/zinc/10/09/23/520100923.db2.gz CGIKNHNFSIEKRC-HNNXBMFYSA-N 1 0 270.417 2.217 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N(C)CCCc1ccccc1 ZINC000061269894 520162171 /nfs/dbraw/zinc/16/21/71/520162171.db2.gz RABGEOPXNPFONV-CQSZACIVSA-N 1 0 262.397 2.466 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N[C@@H]1CCCc2occc21 ZINC000061273757 520167396 /nfs/dbraw/zinc/16/73/96/520167396.db2.gz XPALEBRGQILXEB-ZYHUDNBSSA-N 1 0 250.342 2.161 10 0 CEAERO CCN[C@](C)(C[C@@H](C)[NH+]1CCC(C(C)(C)C)CC1)C(N)=O ZINC000068641361 520235523 /nfs/dbraw/zinc/23/55/23/520235523.db2.gz NSHJCGDUVBOJNH-CXAGYDPISA-N 1 0 297.487 2.377 10 0 CEAERO CC[NH+](CC)CCCNC(=O)c1cc(F)c(N)c(F)c1 ZINC000063004814 520617543 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292.427 2.174 10 0 CEAERO CC(C)(C)[NH2+]Cc1nnnn1-c1ccc(Cl)cc1 ZINC000054744181 518768824 /nfs/dbraw/zinc/76/88/24/518768824.db2.gz JFYXFKKPNIAZGU-UHFFFAOYSA-N 1 0 265.748 2.204 10 0 CEAERO CC(C)(C)[NH2+]Cc1nnnn1C1(C)CCCCC1 ZINC000054747642 518770789 /nfs/dbraw/zinc/77/07/89/518770789.db2.gz VGBZJFDSHHXSRY-UHFFFAOYSA-N 1 0 251.378 2.241 10 0 CEAERO CC(C)(C)c1nc(N2CCN(C3CC3)CC2)sc1C[NH3+] ZINC000055002230 519103986 /nfs/dbraw/zinc/10/39/86/519103986.db2.gz ULMWQRXSVSYMSN-UHFFFAOYSA-N 1 0 294.468 2.184 10 0 CEAERO CC(C)C1CCC(C[NH3+])(N2CCO[C@@H](C)C2)CC1 ZINC000054556951 519560716 /nfs/dbraw/zinc/56/07/16/519560716.db2.gz IXSNYYZWDVPTRY-NFOMZHRRSA-N 1 0 254.418 2.251 10 0 CEAERO CC(C)CC[C@H](C[NH2+]C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000052951187 519692059 /nfs/dbraw/zinc/69/20/59/519692059.db2.gz RGJXCGNONLMEOJ-KGLIPLIRSA-N 1 0 275.458 2.472 10 0 CEAERO CC(C)C[NH+]1CC(c2nc(-c3cccnc3)no2)C1 ZINC000049483596 519719989 /nfs/dbraw/zinc/71/99/89/519719989.db2.gz NQQCNGVKXNRHIE-UHFFFAOYSA-N 1 0 258.325 2.187 10 0 CEAERO CC(C)C[NH+]1CCN(C(=O)CCc2cccc(N)c2)CC1 ZINC000055084775 519723881 /nfs/dbraw/zinc/72/38/81/519723881.db2.gz HTZSWMLEWQQHSV-UHFFFAOYSA-N 1 0 289.423 2.002 10 0 CEAERO CC(C)[NH2+]Cc1c(Cl)cccc1N1CC[C@@H](O)C1 ZINC000061711279 519726321 /nfs/dbraw/zinc/72/63/21/519726321.db2.gz BSHSEIINRHMHBI-LLVKDONJSA-N 1 0 268.788 2.409 10 0 CEAERO CC(C)[NH2+]Cc1cc(F)ccc1N1CCC[C@H]1CO ZINC000048860860 519726965 /nfs/dbraw/zinc/72/69/65/519726965.db2.gz FNJCPTPWIWAKSU-AWEZNQCLSA-N 1 0 266.360 2.285 10 0 CEAERO CC(C)[NH2+]Cc1ccc(OCCO)c(Br)c1 ZINC000062701704 519727287 /nfs/dbraw/zinc/72/72/87/519727287.db2.gz VETHEFWNPTUDTA-UHFFFAOYSA-N 1 0 288.185 2.318 10 0 CEAERO CC(C)[NH2+]Cc1ccnc(N2CCOC(C)(C)C2)c1 ZINC000051447087 519727838 /nfs/dbraw/zinc/72/78/38/519727838.db2.gz BVFVSMUJVUTSMC-UHFFFAOYSA-N 1 0 263.385 2.195 10 0 CEAERO CC(C)[NH2+]Cc1ccoc1CN1CCOC(C)(C)C1 ZINC000052481780 519727953 /nfs/dbraw/zinc/72/79/53/519727953.db2.gz APFPTOUYYAABMA-UHFFFAOYSA-N 1 0 266.385 2.388 10 0 CEAERO CC(C)[NH2+]Cc1ccccc1CN1CCOC[C@@H]1C ZINC000052476104 519728032 /nfs/dbraw/zinc/72/80/32/519728032.db2.gz ITHKGFBOQXRNCY-AWEZNQCLSA-N 1 0 262.397 2.405 10 0 CEAERO CC(C)[NH2+][C@H](CCSc1cccs1)C(N)=O ZINC000062597305 519738375 /nfs/dbraw/zinc/73/83/75/519738375.db2.gz PMAIOCDANCYQQZ-SECBINFHSA-N 1 0 258.412 2.082 10 0 CEAERO CC(C)C[NH2+]CC1([C@@H]2CCS(=O)(=O)C2)CCCC1 ZINC000054655993 519743148 /nfs/dbraw/zinc/74/31/48/519743148.db2.gz HDCRSQPYJWIQRO-CYBMUJFWSA-N 1 0 273.442 2.227 10 0 CEAERO CC(C)C[NH2+]CCN(C)c1ncnc2ccccc21 ZINC000053692933 519744098 /nfs/dbraw/zinc/74/40/98/519744098.db2.gz CYJLZJRWZYBCSM-UHFFFAOYSA-N 1 0 258.369 2.312 10 0 CEAERO CC(C)Oc1cccc(-c2nc(CCC[NH3+])no2)c1 ZINC000061667133 519782231 /nfs/dbraw/zinc/78/22/31/519782231.db2.gz KOMXFVQYSJVJFE-UHFFFAOYSA-N 1 0 261.325 2.415 10 0 CEAERO CC(C)Oc1nc(Cl)nc(NCCCC[NH+](C)C)n1 ZINC000061541520 519785676 /nfs/dbraw/zinc/78/56/76/519785676.db2.gz VHXFNJONCBGANZ-UHFFFAOYSA-N 1 0 287.795 2.066 10 0 CEAERO CC(C)[C@@H]1CCC(=O)[C@@H](C[NH+]2CCN(C3CC3)CC2)C1 ZINC000054559353 519801793 /nfs/dbraw/zinc/80/17/93/519801793.db2.gz WSMLZYAWUFDTFZ-HUUCEWRRSA-N 1 0 278.440 2.408 10 0 CEAERO CC(C)[C@H](CN(C)C)[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000049204493 519814550 /nfs/dbraw/zinc/81/45/50/519814550.db2.gz APJRGBGQILYSGF-LSDHHAIUSA-N 1 0 268.376 2.035 10 0 CEAERO CC(C)c1cccc(OCC[C@H]([NH2+]C2CC2)C(N)=O)c1 ZINC000062548040 519843115 /nfs/dbraw/zinc/84/31/15/519843115.db2.gz ZNNPPJGLEXYVEV-HNNXBMFYSA-N 1 0 276.380 2.185 10 0 CEAERO CCC[NH+]1CCC(NC(=O)Nc2cccc(N)c2)CC1 ZINC000049560543 519845869 /nfs/dbraw/zinc/84/58/69/519845869.db2.gz OGMGREYKBHZMNQ-UHFFFAOYSA-N 1 0 276.384 2.265 10 0 CEAERO CC(C)c1ccn(-c2nc3c(cc2C(N)=[NH2+])CCC3)n1 ZINC000052884379 519848092 /nfs/dbraw/zinc/84/80/92/519848092.db2.gz HHHIVKUALLZTPB-UHFFFAOYSA-N 1 0 269.352 2.163 10 0 CEAERO CCC1CCC([N@H+](C)CC[C@@H](NC(C)C)C(N)=O)CC1 ZINC000062525934 519853284 /nfs/dbraw/zinc/85/32/84/519853284.db2.gz PCKNAVQGYUVNQL-YMAMQOFZSA-N 1 0 283.460 2.129 10 0 CEAERO CCC1CCC(NC(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000054291503 519854148 /nfs/dbraw/zinc/85/41/48/519854148.db2.gz UMLHGPOCSPVYMQ-MOKVOYLWSA-N 1 0 252.402 2.461 10 0 CEAERO CCC1CCC(NS(=O)(=O)c2ccccc2C[NH3+])CC1 ZINC000049120984 519856960 /nfs/dbraw/zinc/85/69/60/519856960.db2.gz VSMKFEASLRDLCE-UHFFFAOYSA-N 1 0 296.436 2.392 10 0 CEAERO CCC[NH+]1CCN(Cc2cc3ccccc3nc2N)CC1 ZINC000050792087 519858727 /nfs/dbraw/zinc/85/87/27/519858727.db2.gz LECYPFGIRAMEMT-UHFFFAOYSA-N 1 0 284.407 2.345 10 0 CEAERO CCC1CC[NH+](CCCC[C@](C)([NH3+])C(=O)[O-])CC1 ZINC000045428052 519859111 /nfs/dbraw/zinc/85/91/11/519859111.db2.gz VRIOFZUZJWCCBP-AWEZNQCLSA-N 1 0 256.390 2.081 10 0 CEAERO CCC1CC[NH+](C[C@](NC2CC2)(C(=O)OC)C2CC2)CC1 ZINC000069183783 519859197 /nfs/dbraw/zinc/85/91/97/519859197.db2.gz ZUIMYXOCUYDPRU-QGZVFWFLSA-N 1 0 294.439 2.182 10 0 CEAERO CCC1CC[NH+](Cc2cccnc2C(N)=S)CC1 ZINC000061659820 519859813 /nfs/dbraw/zinc/85/98/13/519859813.db2.gz XMMLKZYNPNRLQX-UHFFFAOYSA-N 1 0 263.410 2.338 10 0 CEAERO CC[NH2+]CCC(=O)NCc1ccc(Br)s1 ZINC000061296911 519916854 /nfs/dbraw/zinc/91/68/54/519916854.db2.gz IZGCRIUKPRJXLR-UHFFFAOYSA-N 1 0 291.214 2.126 10 0 CEAERO CCCC1CC[NH+](C[C@@H](NC(C)C)C(=O)OCC)CC1 ZINC000050905890 519901636 /nfs/dbraw/zinc/90/16/36/519901636.db2.gz YJUQORPKKWVKMK-OAHLLOKOSA-N 1 0 284.444 2.428 10 0 CEAERO CCN(C(=O)CC[C@@H]1CCCCO1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000069398813 519905871 /nfs/dbraw/zinc/90/58/71/519905871.db2.gz UZTLEVCDWNJLGN-QXULXFAOSA-N 1 0 294.439 2.467 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1ccccc1Cn1cccn1 ZINC000061291491 519907930 /nfs/dbraw/zinc/90/79/30/519907930.db2.gz NXURBWVNVDJPBW-UHFFFAOYSA-N 1 0 286.379 2.258 10 0 CEAERO CC[NH2+]C(C)(C)CN1CCN(c2ccccc2OC)CC1 ZINC000061299637 519908016 /nfs/dbraw/zinc/90/80/16/519908016.db2.gz DVOGOJISBVHVDA-UHFFFAOYSA-N 1 0 291.439 2.205 10 0 CEAERO CC[NH2+]C1CCN(C[C@H]2Cc3ccccc3O2)CC1 ZINC000051086776 519908843 /nfs/dbraw/zinc/90/88/43/519908843.db2.gz XHBANDHEPIYHPL-OAHLLOKOSA-N 1 0 260.381 2.064 10 0 CEAERO CC[NH2+]CC1(CN2CCO[C@H]3CCCC[C@@H]32)CCOCC1 ZINC000052197739 519913948 /nfs/dbraw/zinc/91/39/48/519913948.db2.gz LTPPRYRPJHYBNH-HOTGVXAUSA-N 1 0 296.455 2.036 10 0 CEAERO CC[NH2+]CCC(=O)N(C)[C@H](C)c1ccccc1OC ZINC000061294943 519915144 /nfs/dbraw/zinc/91/51/44/519915144.db2.gz QTGXVWQTIWPYAP-GFCCVEGCSA-N 1 0 264.369 2.214 10 0 CEAERO CCN(C(=O)C[NH2+][C@@H]1CCOc2ccccc21)C1CC1 ZINC000051986925 519915795 /nfs/dbraw/zinc/91/57/95/519915795.db2.gz UFLJPCYSCVJJRZ-CQSZACIVSA-N 1 0 274.364 2.111 10 0 CEAERO CC[NH2+]CCC(=O)N1CCC[C@@H]1c1cccc(OC)c1 ZINC000061294523 519915877 /nfs/dbraw/zinc/91/58/77/519915877.db2.gz OSMJQFAAIYGXCW-OAHLLOKOSA-N 1 0 276.380 2.358 10 0 CEAERO CC[NH2+]CCC(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000061291078 519917499 /nfs/dbraw/zinc/91/74/99/519917499.db2.gz NCOQTEBEPQXFNT-GFCCVEGCSA-N 1 0 282.384 2.478 10 0 CEAERO CC[NH2+]CCC(=O)Nc1cccc(C(=O)N(CC)CC)c1 ZINC000061298788 519918679 /nfs/dbraw/zinc/91/86/79/519918679.db2.gz SLQPLUMRAQZYEE-UHFFFAOYSA-N 1 0 291.395 2.107 10 0 CEAERO CCC[NH2+]CC[C@@H](C)N1CCN(c2nccs2)CC1 ZINC000052417719 519919649 /nfs/dbraw/zinc/91/96/49/519919649.db2.gz HQIPHNLOPYHAPR-CYBMUJFWSA-N 1 0 282.457 2.043 10 0 CEAERO CC(C)n1c(=S)[nH]nc1N1CCC[C@H]1C[NH+](C)C ZINC000061651955 519919782 /nfs/dbraw/zinc/91/97/82/519919782.db2.gz LFGMXYBEBRXMQY-JTQLQIEISA-N 1 0 269.418 2.052 10 0 CEAERO CC[NH2+]CCNC(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000151418987 519922568 /nfs/dbraw/zinc/92/25/68/519922568.db2.gz HHJLLACMQRSTDN-UWVGGRQHSA-N 1 0 284.762 2.308 10 0 CEAERO CCOCC[N@@H+]1C[C@H](C)NC[C@@H]1C1CCCCC1 ZINC000068699220 519925761 /nfs/dbraw/zinc/92/57/61/519925761.db2.gz ZUMMEKAZPLNKDM-DZGCQCFKSA-N 1 0 254.418 2.266 10 0 CEAERO CCC[NH2+]C[C@H](C)OCc1ccc2c(c1)OCO2 ZINC000052624919 519931215 /nfs/dbraw/zinc/93/12/15/519931215.db2.gz FTSNVDUUZCJQBI-NSHDSACASA-N 1 0 251.326 2.320 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N1CCC[C@H]1C1CCCC1 ZINC000061268043 519933036 /nfs/dbraw/zinc/93/30/36/519933036.db2.gz JYPFLOFUHMAUMW-OCCSQVGLSA-N 1 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CCC[NH2+][C@H]1CCCc2cc(OC[C@H](O)COC)ccc21 ZINC000069053745 520094902 /nfs/dbraw/zinc/09/49/02/520094902.db2.gz GLKIFFMAIQLMFT-PBHICJAKSA-N 1 0 293.407 2.450 10 0 CEAERO CC[NH2+][C@@H](c1c(F)cc(OC)cc1F)[C@H]1COCCO1 ZINC000055300984 520107499 /nfs/dbraw/zinc/10/74/99/520107499.db2.gz FEUTUGIKUCXIEH-TZMCWYRMSA-N 1 0 287.306 2.039 10 0 CEAERO CC[NH2+][C@@H](c1ccc(OC)c(Cl)c1)[C@@H]1COCCO1 ZINC000055299860 520109108 /nfs/dbraw/zinc/10/91/08/520109108.db2.gz LZTFCGIDLGTXPF-KBPBESRZSA-N 1 0 285.771 2.415 10 0 CEAERO CCCN[C@](C)(C[C@H](C)[N@H+](C)CC1CCCC1)C(N)=O ZINC000068646982 520111851 /nfs/dbraw/zinc/11/18/51/520111851.db2.gz NQUBRKKVRNCPHE-XJKSGUPXSA-N 1 0 283.460 2.131 10 0 CEAERO CCCN[C@](C[NH+]1CCC(C)(C)CC1)(C(=O)OC)C1CC1 ZINC000069232018 520122430 /nfs/dbraw/zinc/12/24/30/520122430.db2.gz PGOPQLCNBBFEAO-KRWDZBQOSA-N 1 0 296.455 2.430 10 0 CEAERO CCC[NH2+][C@](COc1ccc(CC)cc1)(C(N)=O)C1CC1 ZINC000069197144 520123105 /nfs/dbraw/zinc/12/31/05/520123105.db2.gz CLROSLZKAGMMMU-KRWDZBQOSA-N 1 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520210331 /nfs/dbraw/zinc/21/03/31/520210331.db2.gz BNVWLRIJEGARNZ-WMLDXEAASA-N 1 0 288.391 2.283 10 0 CEAERO CC[NH2+][C@H]1CCN([C@@H]2CCCc3ccccc32)C1=O ZINC000051632012 520215573 /nfs/dbraw/zinc/21/55/73/520215573.db2.gz JFMDRXOQBSQKAL-LSDHHAIUSA-N 1 0 258.365 2.274 10 0 CEAERO CC[NH2+][C@H]1CCc2c1cccc2O[C@H]1CCCCNC1=O ZINC000062799811 520219265 /nfs/dbraw/zinc/21/92/65/520219265.db2.gz NSHDNZVPSHWYRL-HOCLYGCPSA-N 1 0 288.391 2.331 10 0 CEAERO CC[NH2+][C@H]1CCc2c1cccc2OC[C@H](O)COC(C)C ZINC000070099604 520220189 /nfs/dbraw/zinc/22/01/89/520220189.db2.gz VNTQJYIHAAWOAD-CJNGLKHVSA-N 1 0 293.407 2.448 10 0 CEAERO CC[NH2+][C@](C)(CO)c1ccc(F)c(Br)c1 ZINC000061689758 520231251 /nfs/dbraw/zinc/23/12/51/520231251.db2.gz NLVHHBUHGUWFQA-LLVKDONJSA-N 1 0 276.149 2.405 10 0 CEAERO CC[NH2+][C@](C)(C[C@@H](C)Sc1cccc(OC)c1)C(N)=O ZINC000068634260 520238184 /nfs/dbraw/zinc/23/81/84/520238184.db2.gz NFAITBODKLDVJJ-IAQYHMDHSA-N 1 0 296.436 2.419 10 0 CEAERO CC[NH2+][C@](CSCc1cccc(C)c1)(C(N)=O)C1CC1 ZINC000069189864 520252602 /nfs/dbraw/zinc/25/26/02/520252602.db2.gz QZQRRSCFUPNJST-INIZCTEOSA-N 1 0 292.448 2.472 10 0 CEAERO CCCO[C@@H]1CCC[N@H+](Cc2cccnc2C(N)=S)C1 ZINC000061659915 520273922 /nfs/dbraw/zinc/27/39/22/520273922.db2.gz AVZTYVVMPQIRHY-CYBMUJFWSA-N 1 0 293.436 2.107 10 0 CEAERO CCCO[C@H]1CCCN(C(=O)[C@@](C)([NH3+])c2ccccc2)C1 ZINC000052882604 520281221 /nfs/dbraw/zinc/28/12/21/520281221.db2.gz RVXJWIPAYLKXIZ-RDJZCZTQSA-N 1 0 290.407 2.278 10 0 CEAERO CCNc1ccc(Cl)c(CN2CCC[N@H+](C)CC2)n1 ZINC000061630863 520309804 /nfs/dbraw/zinc/30/98/04/520309804.db2.gz UOIAJVFTMPWYDN-UHFFFAOYSA-N 1 0 282.819 2.304 10 0 CEAERO CCN(CC(=O)NC)c1ccccc1C[NH2+]C(C)(C)C ZINC000062737291 520328928 /nfs/dbraw/zinc/32/89/28/520328928.db2.gz OIUAGZRHJQOHLN-UHFFFAOYSA-N 1 0 277.412 2.147 10 0 CEAERO CCNc1ccccc1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000050779361 520338848 /nfs/dbraw/zinc/33/88/48/520338848.db2.gz NBWREJTYKVDFPC-GFCCVEGCSA-N 1 0 273.380 2.085 10 0 CEAERO CCNc1ccccc1C(=O)NC[C@H]1CCCC[N@@H+]1C ZINC000050777812 520339856 /nfs/dbraw/zinc/33/98/56/520339856.db2.gz LAQQNQJLIYEQRO-CYBMUJFWSA-N 1 0 275.396 2.333 10 0 CEAERO CC1(C)CC[NH+](CC(=O)Nc2ccc(F)cc2N)CC1 ZINC000061818155 520378949 /nfs/dbraw/zinc/37/89/49/520378949.db2.gz XIBRHPMXCUXIQP-UHFFFAOYSA-N 1 0 279.359 2.468 10 0 CEAERO CCCOc1ccc([C@H](CS(C)(=O)=O)[NH2+]CC)cc1 ZINC000054930427 520428045 /nfs/dbraw/zinc/42/80/45/520428045.db2.gz QNGMEXXLHWEEBU-AWEZNQCLSA-N 1 0 285.409 2.171 10 0 CEAERO CCCOc1cccc(C(=O)N2[C@@H](C)C[NH2+]C[C@@H]2C)c1 ZINC000069133464 520442134 /nfs/dbraw/zinc/44/21/34/520442134.db2.gz XGRUPQJKWHHSFZ-STQMWFEESA-N 1 0 276.380 2.298 10 0 CEAERO CCN(CC)C(=O)CN(C)c1cc(Cl)ccc1C[NH3+] ZINC000062786931 520475154 /nfs/dbraw/zinc/47/51/54/520475154.db2.gz ZIHVQGOKPQENRV-UHFFFAOYSA-N 1 0 283.803 2.103 10 0 CEAERO CCCC[NH+](CCCC)CC[C@H](NCCC)C(N)=O ZINC000062444430 520496287 /nfs/dbraw/zinc/49/62/87/520496287.db2.gz FSWZJTJQIDUHSX-AWEZNQCLSA-N 1 0 271.449 2.132 10 0 CEAERO CCN(CC)C(=O)[C@H](C)[NH2+]Cc1ccc(F)cc1C ZINC000050576028 520533890 /nfs/dbraw/zinc/53/38/90/520533890.db2.gz YHSPDRMETSHQAT-LBPRGKRZSA-N 1 0 266.360 2.481 10 0 CEAERO CCCC[N@H+](CC[C@H](NC1CC1)C(=O)OCC)C1CC1 ZINC000062459086 520537930 /nfs/dbraw/zinc/53/79/30/520537930.db2.gz HRRIWXJRQKBQTM-HNNXBMFYSA-N 1 0 282.428 2.325 10 0 CEAERO CCCC[N@H+](Cc1cccnc1C(N)=S)C1CC1 ZINC000061659857 520548797 /nfs/dbraw/zinc/54/87/97/520548797.db2.gz OHTNQYAAUHQVGB-UHFFFAOYSA-N 1 0 263.410 2.480 10 0 CEAERO CCC[C@@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](CC(C)C)CN(C)C ZINC000049555876 520656549 /nfs/dbraw/zinc/65/65/49/520656549.db2.gz CRLVCNXQMWRECB-KFWWJZLASA-N 1 0 285.476 2.246 10 0 CEAERO CCN(CC)CC[NH2+]CCCOc1ccccc1 ZINC000049633088 520688364 /nfs/dbraw/zinc/68/83/64/520688364.db2.gz FOJYECNFXHTTED-UHFFFAOYSA-N 1 0 250.386 2.387 10 0 CEAERO CC[NH+](CC)CCNc1nc(Cl)nc(OC(C)C)n1 ZINC000061536197 520691954 /nfs/dbraw/zinc/69/19/54/520691954.db2.gz MWDBVSNNXOFLHZ-UHFFFAOYSA-N 1 0 287.795 2.066 10 0 CEAERO CCCCOC(=O)COc1ccc2c(c1)OC[C@H]2[NH2+]CC ZINC000062804554 520712875 /nfs/dbraw/zinc/71/28/75/520712875.db2.gz FDLACAUJLIBITF-CQSZACIVSA-N 1 0 293.363 2.452 10 0 CEAERO CCC[C@@H]([NH3+])[C@@H](CC)N1CCN(CC(F)(F)F)CC1 ZINC000061941084 520726919 /nfs/dbraw/zinc/72/69/19/520726919.db2.gz XCNWGACEGXKIHZ-VXGBXAGGSA-N 1 0 281.366 2.072 10 0 CEAERO CCC[C@@H]([NH2+][C@@H]1CCS(=O)(=O)C1)c1cccs1 ZINC000049543768 520790558 /nfs/dbraw/zinc/79/05/58/520790558.db2.gz KQAADKAFYCAOJF-GHMZBOCLSA-N 1 0 273.423 2.366 10 0 CEAERO CCC[C@@H]1C[C@@H]([NH2+][C@@H](C)Cn2cccn2)CCO1 ZINC000070356534 520855337 /nfs/dbraw/zinc/85/53/37/520855337.db2.gz GVHVWAFFYAYLDT-MELADBBJSA-N 1 0 251.374 2.209 10 0 CEAERO CC[NH+](CC)[C@H]1CCN(c2cccc(F)c2N)C1 ZINC000062975894 520875437 /nfs/dbraw/zinc/87/54/37/520875437.db2.gz OLZCLVDABDWEHO-NSHDSACASA-N 1 0 251.349 2.328 10 0 CEAERO CCC[C@@]1(C(=O)N(C)Cc2ccc(C)o2)CC[NH2+]C1 ZINC000062890581 520941137 /nfs/dbraw/zinc/94/11/37/520941137.db2.gz UNESKBWIPCAVCL-OAHLLOKOSA-N 1 0 264.369 2.326 10 0 CEAERO CCOC(=O)N1CCN(c2ccc3[nH]c(C)[nH+]c3c2)CC1 ZINC000062578689 520961316 /nfs/dbraw/zinc/96/13/16/520961316.db2.gz RFQYKTHSXPWDNA-UHFFFAOYSA-N 1 0 288.351 2.150 10 0 CEAERO CCN(CC1CC1)S(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000069238893 520964584 /nfs/dbraw/zinc/96/45/84/520964584.db2.gz AEVKBLOSEPBFQQ-LLVKDONJSA-N 1 0 282.409 2.127 10 0 CEAERO CCOc1ccc(N)cc1CN1CCC[C@H]1C[NH+](C)C ZINC000061641819 521029703 /nfs/dbraw/zinc/02/97/03/521029703.db2.gz DUMSHEFQWXCBRN-HNNXBMFYSA-N 1 0 277.412 2.194 10 0 CEAERO CCOc1ccc(Nc2ccnc(N(C)C)n2)cc1C[NH3+] ZINC000068690283 521138294 /nfs/dbraw/zinc/13/82/94/521138294.db2.gz BJGYZSKYYFYKPN-UHFFFAOYSA-N 1 0 287.367 2.144 10 0 CEAERO CCC[C@H]1CN(Cc2ccc(OC)c(OC)c2)CC[NH2+]1 ZINC000068692480 521220896 /nfs/dbraw/zinc/22/08/96/521220896.db2.gz YWEMDUUXKGAOJA-AWEZNQCLSA-N 1 0 278.396 2.278 10 0 CEAERO CCOc1ccc([C@@H]([NH3+])c2cnccn2)cc1OCC ZINC000055222710 521229188 /nfs/dbraw/zinc/22/91/88/521229188.db2.gz QAMYKRLBJOYZCC-OAHLLOKOSA-N 1 0 273.336 2.322 10 0 CEAERO CCC[C@](C)(C[NH2+]CC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000054657317 521267681 /nfs/dbraw/zinc/26/76/81/521267681.db2.gz KAWYVZYBESZSLR-UONOGXRCSA-N 1 0 275.458 2.473 10 0 CEAERO CCOc1ccc([C@H]2[C@H]([NH3+])CCC(=O)N2C(C)C)cc1 ZINC000062211526 521275870 /nfs/dbraw/zinc/27/58/70/521275870.db2.gz XAMZJLVCLIKGEM-ZBFHGGJFSA-N 1 0 276.380 2.485 10 0 CEAERO CCC[C@]1(C(=O)N(C)[C@H]2CCSC2)CCC[NH2+]C1 ZINC000062853496 521297475 /nfs/dbraw/zinc/29/74/75/521297475.db2.gz NNAMWFIWYBMBSG-JSGCOSHPSA-N 1 0 270.442 2.120 10 0 CEAERO CCC[C@]1(C(=O)N(CCOC)[C@H](C)C2CC2)CCC[NH2+]C1 ZINC000062857234 521297952 /nfs/dbraw/zinc/29/79/52/521297952.db2.gz WKWMFZROVMCSAJ-PBHICJAKSA-N 1 0 296.455 2.430 10 0 CEAERO CCOC(=O)[C@](C[NH+]1CCCCC1)(NC(C)C)C1CC1 ZINC000069095530 521339485 /nfs/dbraw/zinc/33/94/85/521339485.db2.gz MWTRCSGUVUMTHH-MRXNPFEDSA-N 1 0 282.428 2.182 10 0 CEAERO CCOc1cccc(C[C@H](C)[NH3+])c1OCc1ncccn1 ZINC000054461849 521379970 /nfs/dbraw/zinc/37/99/70/521379970.db2.gz OBUQQDVPJOGTKK-LBPRGKRZSA-N 1 0 287.363 2.344 10 0 CEAERO CCC(CC)(C[NH2+]CC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000054658906 521439820 /nfs/dbraw/zinc/43/98/20/521439820.db2.gz JCDOUPXQVKWEBF-CYBMUJFWSA-N 1 0 275.458 2.473 10 0 CEAERO CCOc1ccccc1CCNC(=O)[C@H]([NH3+])[C@H](C)CC ZINC000155561262 521472822 /nfs/dbraw/zinc/47/28/22/521472822.db2.gz JAWVXAVCFFKIQT-IUODEOHRSA-N 1 0 278.396 2.117 10 0 CEAERO CCN([C@@H](C[NH3+])c1ccc(F)cc1C)[C@@H](C)COC ZINC000050579155 521473275 /nfs/dbraw/zinc/47/32/75/521473275.db2.gz LLHDTBQGWCPLJS-WFASDCNBSA-N 1 0 268.376 2.491 10 0 CEAERO CCN(c1ccccc1C)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000049641193 521499652 /nfs/dbraw/zinc/49/96/52/521499652.db2.gz PSGUKJGDFNGUEV-UHFFFAOYSA-N 1 0 296.436 2.151 10 0 CEAERO CCCN(C)c1ncc(Br)cc1C[NH3+] ZINC000051396612 521520383 /nfs/dbraw/zinc/52/03/83/521520383.db2.gz TYLJSVDIFNWFIK-UHFFFAOYSA-N 1 0 258.163 2.149 10 0 CEAERO CCN1C(=O)C[C@H]([NH3+])[C@H]1c1c(F)cccc1Cl ZINC000062209195 521524687 /nfs/dbraw/zinc/52/46/87/521524687.db2.gz YUVFMRWUTFWWJY-CABZTGNLSA-N 1 0 256.708 2.100 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2cc(C)nc(Cl)n2)C1 ZINC000052814625 521624730 /nfs/dbraw/zinc/62/47/30/521624730.db2.gz FECSHVMVJXJJDZ-SNVBAGLBSA-N 1 0 254.765 2.335 10 0 CEAERO CC[N@@H+]1CCC[C@@H](N2C(=S)N=NC2C2CC2)C1 ZINC000049219379 521627529 /nfs/dbraw/zinc/62/75/29/521627529.db2.gz AOPJDRUOMZRUIP-SNVBAGLBSA-N 1 0 252.387 2.101 10 0 CEAERO CCCn1c(S[C@@H]([C@H]([NH3+])CC)C(C)(C)C)n[nH]c1=O ZINC000061594877 521634656 /nfs/dbraw/zinc/63/46/56/521634656.db2.gz HYRUJUJMGVEVGK-ZJUUUORDSA-N 1 0 286.445 2.226 10 0 CEAERO CCN1CCC[C@@H]1C[NH2+]CCCOCC(F)(F)F ZINC000049312239 521639244 /nfs/dbraw/zinc/63/92/44/521639244.db2.gz GISJNCYFLVIIAE-LLVKDONJSA-N 1 0 268.323 2.029 10 0 CEAERO CCCN(CCC)C(=O)c1cccc(NC(=O)C[NH2+]C)c1 ZINC000066225863 521642085 /nfs/dbraw/zinc/64/20/85/521642085.db2.gz WUYVXYQKSCOQIV-UHFFFAOYSA-N 1 0 291.395 2.107 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)Cc2ccccc2)C1 ZINC000052594580 521644145 /nfs/dbraw/zinc/64/41/45/521644145.db2.gz RPNVUIFGKYFNST-HNNXBMFYSA-N 1 0 275.396 2.312 10 0 CEAERO CCS(=O)(=O)CC[C@@H](C[NH2+]C)Cc1cccc(F)c1 ZINC000052976992 521644602 /nfs/dbraw/zinc/64/46/02/521644602.db2.gz GJWKVIQMIJEOMD-CYBMUJFWSA-N 1 0 287.400 2.029 10 0 CEAERO CC[N@@H+]1CCC[C@H](Nc2nc(Cl)nc(Cl)n2)C1 ZINC000061518651 521649527 /nfs/dbraw/zinc/64/95/27/521649527.db2.gz AUHLXCWXDCKJOY-ZETCQYMHSA-N 1 0 276.171 2.075 10 0 CEAERO CCC[N@H+](CCCC[C@](C)([NH3+])C(=O)[O-])CC1CC1 ZINC000045421943 521652180 /nfs/dbraw/zinc/65/21/80/521652180.db2.gz BJGKZFSQPBFHGQ-AWEZNQCLSA-N 1 0 256.390 2.081 10 0 CEAERO CCCn1cc(N)cc1C(=O)NC1CC[NH+](CCC)CC1 ZINC000049550873 521653650 /nfs/dbraw/zinc/65/36/50/521653650.db2.gz LMNNQQBTQGPVDN-UHFFFAOYSA-N 1 0 292.427 2.085 10 0 CEAERO CCCn1cccc1C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000063192778 521659005 /nfs/dbraw/zinc/65/90/05/521659005.db2.gz SQJBOEGWQTUGMH-QWHCGFSZSA-N 1 0 263.385 2.240 10 0 CEAERO CCC1(C(=O)N2CC[C@H](C)C[C@@H]2C)CC[NH2+]CC1 ZINC000062850273 521663958 /nfs/dbraw/zinc/66/39/58/521663958.db2.gz IFLNAQXJHPQEQQ-STQMWFEESA-N 1 0 252.402 2.413 10 0 CEAERO CCC1(C)CCN(C(=O)c2cnn(CCC[NH3+])c2C)CC1 ZINC000062952145 521677266 /nfs/dbraw/zinc/67/72/66/521677266.db2.gz QUFCEFBOVLXGJI-UHFFFAOYSA-N 1 0 292.427 2.193 10 0 CEAERO CCC1(C)CC[NH+]([C@@H](C)C[C@](C)(NC2CC2)C(N)=O)CC1 ZINC000068645263 521678306 /nfs/dbraw/zinc/67/83/06/521678306.db2.gz LPJGSSNGDKEBLU-GUYCJALGSA-N 1 0 295.471 2.273 10 0 CEAERO CCNC(=O)CC[NH2+][C@@H]1CCCc2sccc21 ZINC000061362138 521735924 /nfs/dbraw/zinc/73/59/24/521735924.db2.gz FZAZETMIAMPEHL-LLVKDONJSA-N 1 0 252.383 2.241 10 0 CEAERO COc1c(C)cnc(CN2C[C@@H](C)[NH2+]CC2(C)C)c1C ZINC000068698159 521811132 /nfs/dbraw/zinc/81/11/32/521811132.db2.gz NJXXPVCHONVSKF-GFCCVEGCSA-N 1 0 277.412 2.279 10 0 CEAERO COCC[C@@H]([NH3+])C(=O)N[C@H]1CC(C)(C)Cc2oc(C)cc21 ZINC000052807918 521823139 /nfs/dbraw/zinc/82/31/39/521823139.db2.gz ODBDFKGHJDWEPS-OLZOCXBDSA-N 1 0 294.395 2.082 10 0 CEAERO CNC(=O)c1ccc(Cl)c(NC(=O)CCC(C)(C)[NH3+])c1 ZINC000070087084 521825159 /nfs/dbraw/zinc/82/51/59/521825159.db2.gz NJXHOKDXLSEOLG-UHFFFAOYSA-N 1 0 297.786 2.156 10 0 CEAERO COCC[C@@H]([NH3+])CN(C)Cc1ccc(Cl)cc1 ZINC000052810805 521830662 /nfs/dbraw/zinc/83/06/62/521830662.db2.gz SURWJHCMDQEJJC-CYBMUJFWSA-N 1 0 256.777 2.136 10 0 CEAERO COCC[C@@H]([NH3+])c1nc2cccc(Cl)c2n1C ZINC000052785269 521834320 /nfs/dbraw/zinc/83/43/20/521834320.db2.gz GJTOOKBTIRGDGH-SECBINFHSA-N 1 0 253.733 2.263 10 0 CEAERO COCC[C@@H]([NH3+])c1nc(-c2cc(F)ccc2F)c[nH]1 ZINC000052811120 521834859 /nfs/dbraw/zinc/83/48/59/521834859.db2.gz XAMWFZZGZKUJIJ-LLVKDONJSA-N 1 0 267.279 2.391 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(OC)c(C)c1 ZINC000049531987 521836487 /nfs/dbraw/zinc/83/64/87/521836487.db2.gz CLRNWNHDQXUCBS-TVQRCGJNSA-N 1 0 250.342 2.316 10 0 CEAERO C[NH+](C)C[C@@H]1CCCN1c1nc(C2CC2)c(C=O)s1 ZINC000069181232 521845572 /nfs/dbraw/zinc/84/55/72/521845572.db2.gz LRXSLLCMBOSZBM-NSHDSACASA-N 1 0 279.409 2.363 10 0 CEAERO C[NH+](C)C[C@H](NC(=O)c1ccccn1)c1ccccc1 ZINC000052554794 521859069 /nfs/dbraw/zinc/85/90/69/521859069.db2.gz MLIBWAUWRODTJC-HNNXBMFYSA-N 1 0 269.348 2.114 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N(C)[C@@H](C)c1ccccc1OC ZINC000061317192 521932457 /nfs/dbraw/zinc/93/24/57/521932457.db2.gz GCYZAJUFDAIZHD-NSHDSACASA-N 1 0 264.369 2.213 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N(CC(C)C)CC(F)(F)F ZINC000061317348 521933476 /nfs/dbraw/zinc/93/34/76/521933476.db2.gz WWCYCHPURZYXOY-UHFFFAOYSA-N 1 0 254.296 2.031 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N(Cc1ccc(C)o1)C1CC1 ZINC000061317394 521933988 /nfs/dbraw/zinc/93/39/88/521933988.db2.gz DBYDBYCGISAQEN-UHFFFAOYSA-N 1 0 250.342 2.077 10 0 CEAERO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2c1cccc(NC(C)=O)c1 ZINC000054627726 521959391 /nfs/dbraw/zinc/95/93/91/521959391.db2.gz UYZWXGWFHLAKJC-VHRNVKJDSA-N 1 0 273.380 2.364 10 0 CEAERO C[NH2+]CC1(CN2c3ccccc3C[C@@H]2C)CCOCC1 ZINC000052180998 521971137 /nfs/dbraw/zinc/97/11/37/521971137.db2.gz PDVOOCOFHKIKLG-AWEZNQCLSA-N 1 0 274.408 2.454 10 0 CEAERO C[NH2+]CCCC(=O)Nc1nc(C(C)(C)C)cs1 ZINC000049500082 521991871 /nfs/dbraw/zinc/99/18/71/521991871.db2.gz BOBCZZTZOXROPE-UHFFFAOYSA-N 1 0 255.387 2.379 10 0 CEAERO C[NH2+]CCc1c(C)nc(Cc2cccc(OC)c2)nc1C ZINC000054838093 522018052 /nfs/dbraw/zinc/01/80/52/522018052.db2.gz WGTPBOTZTVHJDU-UHFFFAOYSA-N 1 0 285.391 2.455 10 0 CEAERO C[NH2+]CCc1nnc(-c2ccc(Br)s2)o1 ZINC000050619490 522022215 /nfs/dbraw/zinc/02/22/15/522022215.db2.gz KEHRBXZIGQPHIK-UHFFFAOYSA-N 1 0 288.170 2.323 10 0 CEAERO COC(=O)c1ccc(C[NH2+][C@@H](C)[C@H]2CCCO2)cc1F ZINC000183156626 522035439 /nfs/dbraw/zinc/03/54/39/522035439.db2.gz JBKMFSLFLWIWJU-IINYFYTJSA-N 1 0 281.327 2.269 10 0 CEAERO CC[C@@H](C)N(C)C(=O)c1cccn1C1CC[NH2+]CC1 ZINC000054442857 522049604 /nfs/dbraw/zinc/04/96/04/522049604.db2.gz CMVXIXRGQCKAJV-GFCCVEGCSA-N 1 0 263.385 2.283 10 0 CEAERO C[NH2+]C[C@@H]1CC[C@@H](COc2ccc(Cl)cc2)O1 ZINC000052665167 522059749 /nfs/dbraw/zinc/05/97/49/522059749.db2.gz BNQZMDFZCGSPHZ-STQMWFEESA-N 1 0 255.745 2.486 10 0 CEAERO C[NH2+]Cc1c(-n2ccc(C(C)C)n2)nc2sccn12 ZINC000052884848 522098358 /nfs/dbraw/zinc/09/83/58/522098358.db2.gz KGOOAPVBMRCRCJ-UHFFFAOYSA-N 1 0 275.381 2.424 10 0 CEAERO C[NH2+]Cc1cc(Br)cnc1-n1ccc(C)n1 ZINC000052885177 522102504 /nfs/dbraw/zinc/10/25/04/522102504.db2.gz NNRAHWPDAYMSJZ-UHFFFAOYSA-N 1 0 281.157 2.058 10 0 CEAERO CC[C@@H](C)NC(=O)CCn1c(C)[nH+]c2cc(N)ccc21 ZINC000052855197 522155382 /nfs/dbraw/zinc/15/53/82/522155382.db2.gz BHUZJPXQJLXBBV-SNVBAGLBSA-N 1 0 274.368 2.232 10 0 CEAERO C[NH2+]Cc1occc1CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000052573117 522163834 /nfs/dbraw/zinc/16/38/34/522163834.db2.gz BFHHEJSEGYQBLU-UONOGXRCSA-N 1 0 264.369 2.142 10 0 CEAERO C[NH2+]Cc1sc(N2C[C@@H](C)O[C@@H](C)C2)nc1C1CC1 ZINC000069146669 522168997 /nfs/dbraw/zinc/16/89/97/522168997.db2.gz BRAOHRPBPCTRRV-AOOOYVTPSA-N 1 0 281.425 2.354 10 0 CEAERO COC(=O)c1ccccc1CNCC[NH+]1CCCCC1 ZINC000049574869 522263685 /nfs/dbraw/zinc/26/36/85/522263685.db2.gz RWIVIEXNPHYGEC-UHFFFAOYSA-N 1 0 276.380 2.049 10 0 CEAERO CN(C)c1cccc(OCc2ccnc(C[NH3+])c2)c1 ZINC000068751866 522283289 /nfs/dbraw/zinc/28/32/89/522283289.db2.gz HJOVNZZENORNHD-UHFFFAOYSA-N 1 0 257.337 2.185 10 0 CEAERO COC(=O)c1cccnc1NCC[NH+](C(C)C)C(C)C ZINC000052927862 522293964 /nfs/dbraw/zinc/29/39/64/522293964.db2.gz KXNMIGBUKMVEFT-UHFFFAOYSA-N 1 0 279.384 2.399 10 0 CEAERO CC[C@H]([NH3+])Cc1cc(Cl)ccc1O[C@@H](CC)C(N)=O ZINC000061678379 522332266 /nfs/dbraw/zinc/33/22/66/522332266.db2.gz LPJNXMJPSJFDDN-RYUDHWBXSA-N 1 0 284.787 2.263 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(F)cc1OCc1nnc(C)o1 ZINC000062746229 522332789 /nfs/dbraw/zinc/33/27/89/522332789.db2.gz RXYGDVJEZGXLQU-QMMMGPOBSA-N 1 0 265.288 2.377 10 0 CEAERO CC[C@H]([NH3+])Cc1ccc(OC)c(OCc2ncccn2)c1 ZINC000054461840 522333816 /nfs/dbraw/zinc/33/38/16/522333816.db2.gz XGNIXSQUUWDFPE-ZDUSSCGKSA-N 1 0 287.363 2.344 10 0 CEAERO C[NH2+][C@@H](C)c1cnc(N(C)[C@@H]2CCSC2)s1 ZINC000054903024 522337302 /nfs/dbraw/zinc/33/73/02/522337302.db2.gz YOOPYDMQBHUDAG-DTWKUNHWSA-N 1 0 257.428 2.365 10 0 CEAERO CC[C@H]([NH3+])c1ccccc1OC[C@@H](O)C(F)(F)F ZINC000068875720 522349039 /nfs/dbraw/zinc/34/90/39/522349039.db2.gz OINCRPJLGMZNCE-GXSJLCMTSA-N 1 0 263.259 2.398 10 0 CEAERO CC[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000049092944 522362693 /nfs/dbraw/zinc/36/26/93/522362693.db2.gz ZSTDNIXUBBJCQA-WOPDTQHZSA-N 1 0 284.425 2.419 10 0 CEAERO C[NH2+][C@@H](Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000050542678 522362991 /nfs/dbraw/zinc/36/29/91/522362991.db2.gz QAWMZTQAEOLNJX-CQSZACIVSA-N 1 0 263.772 2.447 10 0 CEAERO C[NH2+][C@@H](Cc1nc(C)cs1)c1cncc(F)c1 ZINC000055268293 522365297 /nfs/dbraw/zinc/36/52/97/522365297.db2.gz KWIWPZJWPVXGTJ-NSHDSACASA-N 1 0 251.330 2.489 10 0 CEAERO C[NH2+][C@@H](c1ccc2c(c1)CCC(=O)N2C)C1CCOCC1 ZINC000062806525 522370459 /nfs/dbraw/zinc/37/04/59/522370459.db2.gz VXRONVBKMUWXMV-QGZVFWFLSA-N 1 0 288.391 2.283 10 0 CEAERO C[NH2+][C@@H](c1cnn(C)c1)c1ccc2ncccc2c1 ZINC000062802275 522374777 /nfs/dbraw/zinc/37/47/77/522374777.db2.gz IAKDJLDXUWZAMZ-OAHLLOKOSA-N 1 0 252.321 2.277 10 0 CEAERO CCc1nc(N(C)CCc2ccncc2)sc1C[NH3+] ZINC000054998085 522379295 /nfs/dbraw/zinc/37/92/95/522379295.db2.gz UOLOUWSYFCSNON-UHFFFAOYSA-N 1 0 276.409 2.238 10 0 CEAERO C[NH2+][C@@H]1CCO[C@@H](c2ccc3c(c2)OCCCO3)C1 ZINC000070340588 522394414 /nfs/dbraw/zinc/39/44/14/522394414.db2.gz LZHUMRIKMAXFSJ-TZMCWYRMSA-N 1 0 263.337 2.287 10 0 CEAERO C[NH2+][C@@H]1CCc2c1cccc2O[C@@H](C)C(=O)NC(C)C ZINC000062799295 522397861 /nfs/dbraw/zinc/39/78/61/522397861.db2.gz KXSQDNXNPDFRNH-SMDDNHRTSA-N 1 0 276.380 2.185 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2C[C@@H]1S(=O)(=O)c1ccccc1 ZINC000061702778 522399793 /nfs/dbraw/zinc/39/97/93/522399793.db2.gz YYCQVMWPYGXWDU-JKSUJKDBSA-N 1 0 287.384 2.346 10 0 CEAERO COC(=O)c1occc1CN1CCC[C@@H](C[NH2+]C(C)C)C1 ZINC000063139124 522411278 /nfs/dbraw/zinc/41/12/78/522411278.db2.gz VNCFQBWELGTSCB-ZDUSSCGKSA-N 1 0 294.395 2.276 10 0 CEAERO C[NH2+][C@@](C)(C[C@@H](C)[NH+]1CCC2(CCCC2)CC1)C(=O)[O-] ZINC000068645425 522416276 /nfs/dbraw/zinc/41/62/76/522416276.db2.gz FUJLRCUTULAVMV-HIFRSBDPSA-N 1 0 282.428 2.484 10 0 CEAERO C[NH2+][C@H](C)c1c(C)nn(C[C@@H]2CCCCO2)c1C ZINC000054717879 522445311 /nfs/dbraw/zinc/44/53/11/522445311.db2.gz PJGBDRKQRBYWKD-MFKMUULPSA-N 1 0 251.374 2.349 10 0 CEAERO C[NH2+][C@H](C)c1ccc(F)cc1OCC(=O)NC(C)(C)C ZINC000062746559 522447973 /nfs/dbraw/zinc/44/79/73/522447973.db2.gz MDLXHNHPCUVFEK-SNVBAGLBSA-N 1 0 282.359 2.400 10 0 CEAERO C[NH2+][C@H](Cn1ccc(=O)cc1)c1ccc(C)c(C)c1 ZINC000061627808 522475946 /nfs/dbraw/zinc/47/59/46/522475946.db2.gz UOFPPQJTKDWMSB-MRXNPFEDSA-N 1 0 256.349 2.426 10 0 CEAERO C[NH2+][C@H](c1ccc(Br)cc1)[C@H]1COCCO1 ZINC000055299282 522480057 /nfs/dbraw/zinc/48/00/57/522480057.db2.gz GTYOVWRTJJAFCD-VXGBXAGGSA-N 1 0 286.169 2.125 10 0 CEAERO CCc1[nH+]c2cc(N)ccc2n1CCn1cccn1 ZINC000052855527 522487031 /nfs/dbraw/zinc/48/70/31/522487031.db2.gz HTICDTGXOGHWEO-UHFFFAOYSA-N 1 0 255.325 2.078 10 0 CEAERO CC[C@H](NC(=O)[C@@H]1CCCC[NH2+]1)c1cccs1 ZINC000049532087 522496219 /nfs/dbraw/zinc/49/62/19/522496219.db2.gz KOCSXBYOYPBAIN-QWRGUYRKSA-N 1 0 252.383 2.458 10 0 CEAERO CCc1nc2ccccc2n1Cc1nc(C(C)(C)[NH3+])no1 ZINC000062807709 522504453 /nfs/dbraw/zinc/50/44/53/522504453.db2.gz ZHUMUGDMHHMWLC-UHFFFAOYSA-N 1 0 285.351 2.224 10 0 CEAERO C[NH2+][C@](C)(C[C@H](C)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)[O-] ZINC000068627115 522522148 /nfs/dbraw/zinc/52/21/48/522522148.db2.gz BXOPKSCYJGEKGV-TTZDDIAXSA-N 1 0 282.428 2.340 10 0 CEAERO C[NH2+][C@](C)(C[C@@H](C)n1ccnc1-c1cccs1)C(N)=O ZINC000068649667 522522342 /nfs/dbraw/zinc/52/23/42/522522342.db2.gz MKDJWJNEMHYXIN-QMTHXVAHSA-N 1 0 292.408 2.026 10 0 CEAERO COc1cc(F)c([C@H]([NH3+])c2ccoc2)cc1OC ZINC000061560285 522590499 /nfs/dbraw/zinc/59/04/99/522590499.db2.gz WJFCVKKGYUWARH-CYBMUJFWSA-N 1 0 251.257 2.484 10 0 CEAERO COC[C@H](C)N(C)[C@@H](C[NH3+])c1ccc2ncccc2c1 ZINC000069502646 522594369 /nfs/dbraw/zinc/59/43/69/522594369.db2.gz CEEYEYYHCDSPQD-LRDDRELGSA-N 1 0 273.380 2.201 10 0 CEAERO COC[C@H](C)N(C)[C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062710889 522594412 /nfs/dbraw/zinc/59/44/12/522594412.db2.gz HSOYFVKTWZSCNS-UFBFGSQYSA-N 1 0 276.302 2.070 10 0 CEAERO COC[C@H](C)[NH2+]CCn1ccc2cc(OC)ccc21 ZINC000053527215 522625318 /nfs/dbraw/zinc/62/53/18/522625318.db2.gz DQRGUFFGXCRAOE-LBPRGKRZSA-N 1 0 262.353 2.274 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc(C)nc(Cc2ccccn2)n1 ZINC000054835856 522642495 /nfs/dbraw/zinc/64/24/95/522642495.db2.gz GIFLQBQIMBWHFR-GFCCVEGCSA-N 1 0 256.353 2.051 10 0 CEAERO CC[C@@H]([NH3+])Cc1cnc(COc2ccccc2)nc1 ZINC000054858120 522645067 /nfs/dbraw/zinc/64/50/67/522645067.db2.gz DNTQNSYLIPXGHQ-CYBMUJFWSA-N 1 0 257.337 2.335 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1nnc2ccccn21)C(F)(F)F ZINC000061406512 522648325 /nfs/dbraw/zinc/64/83/25/522648325.db2.gz SDLDMVVDXHZGLD-VXNVDRBHSA-N 1 0 290.314 2.490 10 0 CEAERO CC[C@@H]([NH3+])c1c(C)nn(CC2CCOCC2)c1C ZINC000054716694 522654705 /nfs/dbraw/zinc/65/47/05/522654705.db2.gz NLXJWRFCIVTGBZ-CYBMUJFWSA-N 1 0 251.374 2.336 10 0 CEAERO CNc1ncc(C(=O)N[C@H](C[NH+](C)C)C(C)C)cc1Cl ZINC000050779705 522699701 /nfs/dbraw/zinc/69/97/01/522699701.db2.gz IAINCAPYUPXJQM-GFCCVEGCSA-N 1 0 298.818 2.093 10 0 CEAERO CN(CC[NH2+]C1CCCCC1)C[C@H]1CCCCO1 ZINC000053342257 522864465 /nfs/dbraw/zinc/86/44/65/522864465.db2.gz LUSQFMISNRTOHI-OAHLLOKOSA-N 1 0 254.418 2.410 10 0 CEAERO CC[C@H](Oc1cc(OC)ccc1C[NH2+]CC(C)C)C(N)=O ZINC000062733238 522869993 /nfs/dbraw/zinc/86/99/93/522869993.db2.gz IJKOMIKDIPTMOA-AWEZNQCLSA-N 1 0 294.395 2.084 10 0 CEAERO COc1cc([C@@H](O)[C@H]([NH3+])c2ccccc2)ccc1O ZINC000054681657 522913565 /nfs/dbraw/zinc/91/35/65/522913565.db2.gz PTDDSWKGFXSPGZ-HUUCEWRRSA-N 1 0 259.305 2.134 10 0 CEAERO COc1cc([C@H]([NH3+])c2cncnc2)cc(Cl)c1OC ZINC000052887271 522952775 /nfs/dbraw/zinc/95/27/75/522952775.db2.gz NMMRROFMTXDLCR-LBPRGKRZSA-N 1 0 279.727 2.195 10 0 CEAERO C[N@H+](CCn1cc(N)cn1)Cc1ccc(Cl)s1 ZINC000050614798 523000045 /nfs/dbraw/zinc/00/00/45/523000045.db2.gz NPICIVAMOZLOFA-UHFFFAOYSA-N 1 0 270.789 2.312 10 0 CEAERO CN(C[C@@H]1CCCO1)[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000055023228 523055684 /nfs/dbraw/zinc/05/56/84/523055684.db2.gz ZZBCVTCSWRFYFA-KBPBESRZSA-N 1 0 261.369 2.165 10 0 CEAERO COCc1ccccc1NC(=O)C[C@H]1CCCC[NH2+]1 ZINC000049512018 523112862 /nfs/dbraw/zinc/11/28/62/523112862.db2.gz LTIZBGNSSCGPFX-CYBMUJFWSA-N 1 0 262.353 2.304 10 0 CEAERO CN(C[C@](CO)([NH2+]C1CC1)C1CC1)c1cccc(F)c1 ZINC000070339062 523150300 /nfs/dbraw/zinc/15/03/00/523150300.db2.gz HPHNFJGQYKRGPQ-MRXNPFEDSA-N 1 0 278.371 2.155 10 0 CEAERO CC[C@@H]1CCCC[C@H]1n1nnnc1C[NH2+]C(C)C ZINC000054748046 523229617 /nfs/dbraw/zinc/22/96/17/523229617.db2.gz PRHWMNKVTKXVRO-VXGBXAGGSA-N 1 0 251.378 2.312 10 0 CEAERO COCCCN(C)[C@H](C[NH3+])c1cccc2cccnc21 ZINC000069502790 523231198 /nfs/dbraw/zinc/23/11/98/523231198.db2.gz GDGWRCSWCRSYLK-OAHLLOKOSA-N 1 0 273.380 2.203 10 0 CEAERO COCCCN(CCOC)c1cccc(Cl)c1C(N)=[NH2+] ZINC000052905641 523260835 /nfs/dbraw/zinc/26/08/35/523260835.db2.gz BYWLOTQULKODQS-UHFFFAOYSA-N 1 0 299.802 2.113 10 0 CEAERO CCn1c2ccc(C)cc2nc1CN1CCC[NH2+]CC1 ZINC000061145477 523261097 /nfs/dbraw/zinc/26/10/97/523261097.db2.gz NMMDZQMPJCYZRJ-UHFFFAOYSA-N 1 0 272.396 2.160 10 0 CEAERO CO[C@@H](C(=O)N(C)c1ccc(C[NH3+])cc1)c1ccccc1 ZINC000050436880 523311788 /nfs/dbraw/zinc/31/17/88/523311788.db2.gz AIFJLDORWWQEDW-MRXNPFEDSA-N 1 0 284.359 2.496 10 0 CEAERO CC[C@H]1CO[C@@H](C)CN1[C@@H]1C[NH2+]Cc2ccccc21 ZINC000069266134 523346255 /nfs/dbraw/zinc/34/62/55/523346255.db2.gz ZEALLKRYSMKHKZ-DUVNUKRYSA-N 1 0 260.381 2.330 10 0 CEAERO CC[C@H]1CO[C@H](C)CN1c1nc(C)c(C[NH2+]C)s1 ZINC000055001393 523354843 /nfs/dbraw/zinc/35/48/43/523354843.db2.gz UXPOLAFODZCEDP-KOLCDFICSA-N 1 0 269.414 2.175 10 0 CEAERO CCn1cc(C[C@H]([NH3+])Cc2cc(F)cc(F)c2)cn1 ZINC000050543091 523395815 /nfs/dbraw/zinc/39/58/15/523395815.db2.gz YLMWHBGKRUBYQA-CQSZACIVSA-N 1 0 265.307 2.294 10 0 CEAERO CN(Cc1cccnc1)Cc1[nH+]c(NN)ccc1Cl ZINC000061630982 523417956 /nfs/dbraw/zinc/41/79/56/523417956.db2.gz JRZAKISMNSJAFZ-UHFFFAOYSA-N 1 0 277.759 2.048 10 0 CEAERO CN(Cc1cc[nH+]c(NN)c1)Cc1ccccc1F ZINC000052721182 523454248 /nfs/dbraw/zinc/45/42/48/523454248.db2.gz UBSAQWBETOQPRH-UHFFFAOYSA-N 1 0 260.316 2.138 10 0 CEAERO CN(Cc1ccsc1)Cc1cccnc1C(N)=[NH2+] ZINC000061657972 523487830 /nfs/dbraw/zinc/48/78/30/523487830.db2.gz BDGCPFBMVVESPO-UHFFFAOYSA-N 1 0 260.366 2.059 10 0 CEAERO COCCC[C@]1(C[NH2+]CCOC)C[C@H]2CC[C@@H]1C2 ZINC000054639267 523494681 /nfs/dbraw/zinc/49/46/81/523494681.db2.gz QEHJBFWRGRDJIA-RRFJBIMHSA-N 1 0 255.402 2.455 10 0 CEAERO CC[C@@H]1COCCN1[C@@H](C[NH3+])c1ccc(F)cc1C ZINC000050578638 523502686 /nfs/dbraw/zinc/50/26/86/523502686.db2.gz UPANCNNJEBXUJU-HIFRSBDPSA-N 1 0 266.360 2.245 10 0 CEAERO CC[C@]1(C(=O)Nc2cccc3c[nH]nc32)CCC[NH2+]C1 ZINC000062855792 523546337 /nfs/dbraw/zinc/54/63/37/523546337.db2.gz KOAZOKJWCZJKTG-HNNXBMFYSA-N 1 0 272.352 2.281 10 0 CEAERO CC[C@]1(c2nc(Cc3ccc(O)cc3)no2)CCC[NH2+]C1 ZINC000062871719 523630241 /nfs/dbraw/zinc/63/02/41/523630241.db2.gz ZCIYJKUHTJWHQP-INIZCTEOSA-N 1 0 287.363 2.397 10 0 CEAERO CN(c1ccc(Cl)cc1C(N)=[NH2+])C1CCOCC1 ZINC000052860067 523637228 /nfs/dbraw/zinc/63/72/28/523637228.db2.gz HUUFAABLTXLKCX-UHFFFAOYSA-N 1 0 267.760 2.239 10 0 CEAERO CO[C@@H]1CCC[C@H](OCc2ccc(C(N)=[NH2+])cc2)C1 ZINC000070330426 523647489 /nfs/dbraw/zinc/64/74/89/523647489.db2.gz SRPMQVVREHQTOD-KGLIPLIRSA-N 1 0 262.353 2.445 10 0 CEAERO COCCN(CC(C)C)C(=O)C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000055133058 523674186 /nfs/dbraw/zinc/67/41/86/523674186.db2.gz UVSNYYMRFYFVPE-UONOGXRCSA-N 1 0 270.417 2.025 10 0 CEAERO CC[C@@]1(C(=O)N(C)[C@H](C)c2ccncc2)CCC[NH2+]C1 ZINC000062857687 523690473 /nfs/dbraw/zinc/69/04/73/523690473.db2.gz FMVSHWBEMAQGGL-CZUORRHYSA-N 1 0 275.396 2.381 10 0 CEAERO COc1ccc(C(=O)NCC[C@@H]2CCCC[NH2+]2)cc1F ZINC000061668754 523698750 /nfs/dbraw/zinc/69/87/50/523698750.db2.gz IQHAKGANESCFKO-LBPRGKRZSA-N 1 0 280.343 2.096 10 0 CEAERO CC[C@@]1(C(=O)Nc2ccccc2N(C)C)CCC[NH2+]C1 ZINC000062855563 523699474 /nfs/dbraw/zinc/69/94/74/523699474.db2.gz JOTOKGHDNVJZFE-MRXNPFEDSA-N 1 0 275.396 2.471 10 0 CEAERO CC[C@@]1(CN(CC(F)(F)F)C2CC2)CC[NH2+]C1 ZINC000062912036 523734843 /nfs/dbraw/zinc/73/48/43/523734843.db2.gz RRFNIUJILVRTCZ-LLVKDONJSA-N 1 0 250.308 2.403 10 0 CEAERO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000067173423 523758639 /nfs/dbraw/zinc/75/86/39/523758639.db2.gz PQDOMCAJXCXMHX-ZIAGYGMSSA-N 1 0 261.365 2.460 10 0 CEAERO COc1ccc(C)cc1C(=O)NCC[C@@H]1CCCC[NH2+]1 ZINC000052943436 523801726 /nfs/dbraw/zinc/80/17/26/523801726.db2.gz MFIDOAQCWUQMLO-ZDUSSCGKSA-N 1 0 276.380 2.266 10 0 CEAERO COc1ccc(C)cc1C(=O)NC[C@H]1CCC[C@@H](C)[NH2+]1 ZINC000052943457 523802874 /nfs/dbraw/zinc/80/28/74/523802874.db2.gz WCYVIKOHFPYBET-CHWSQXEVSA-N 1 0 276.380 2.264 10 0 CEAERO CCc1cc2c(ncnc2N2C[C@@H](C[NH3+])C[C@@H]2C)s1 ZINC000216233629 523850401 /nfs/dbraw/zinc/85/04/01/523850401.db2.gz PGUYOZOQFJROTD-VHSXEESVSA-N 1 0 276.409 2.427 10 0 CEAERO COc1ccc(C)cc1[C@H](C)NC(=O)CCCC[NH3+] ZINC000070201889 523856319 /nfs/dbraw/zinc/85/63/19/523856319.db2.gz SYCXRNQVWGHIDF-LBPRGKRZSA-N 1 0 264.369 2.310 10 0 CEAERO CCc1ccc(-c2noc([C@H](C)N3CC[NH2+]CC3)n2)cc1 ZINC000051640393 523865132 /nfs/dbraw/zinc/86/51/32/523865132.db2.gz XNSMAGNPYWDZJI-LBPRGKRZSA-N 1 0 286.379 2.265 10 0 CEAERO COCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cc(C)sc1C ZINC000049507497 523908174 /nfs/dbraw/zinc/90/81/74/523908174.db2.gz ICCFKPSLIWLAAD-GHMZBOCLSA-N 1 0 284.425 2.167 10 0 CEAERO COCC[NH2+]CC1(Cc2ccc(F)cc2)CCOCC1 ZINC000061674628 523934178 /nfs/dbraw/zinc/93/41/78/523934178.db2.gz ZCEJSZCDCGZNKT-UHFFFAOYSA-N 1 0 281.371 2.401 10 0 CEAERO COCC[NH2+]CC1CCN(c2nc3ccccc3o2)CC1 ZINC000053691801 523935944 /nfs/dbraw/zinc/93/59/44/523935944.db2.gz ZCXJIOFNNXAJOK-UHFFFAOYSA-N 1 0 289.379 2.280 10 0 CEAERO COCC[NH2+]C[C@@H]1C[C@@]1(C)Cc1ccccc1OC ZINC000054599140 523941370 /nfs/dbraw/zinc/94/13/70/523941370.db2.gz GALYRENZNZYHQL-GOEBONIOSA-N 1 0 263.381 2.500 10 0 CEAERO COCC[NH2+]C[C@@H]1C[C@H]1c1cc(OC)cc(OC)c1 ZINC000054598667 523941695 /nfs/dbraw/zinc/94/16/95/523941695.db2.gz CAVZEHRMWMAVAA-WFASDCNBSA-N 1 0 265.353 2.043 10 0 CEAERO COCC[NH2+]Cc1cc2c(cc1OC/C=C/Cl)OCO2 ZINC000062733999 523952077 /nfs/dbraw/zinc/95/20/77/523952077.db2.gz BBNKKJKGFQLOGA-NSCUHMNNSA-N 1 0 299.754 2.283 10 0 CEAERO COCC[NH2+]Cc1ccc(-n2cc(Cl)cn2)cc1 ZINC000062738704 523952159 /nfs/dbraw/zinc/95/21/59/523952159.db2.gz POMYELCYIGLYFF-UHFFFAOYSA-N 1 0 265.744 2.262 10 0 CEAERO COCC[NH2+]Cc1ccccc1N(C)[C@H]1CCSC1 ZINC000062735572 523953869 /nfs/dbraw/zinc/95/38/69/523953869.db2.gz LNDPVFHUFVLLNM-AWEZNQCLSA-N 1 0 280.437 2.364 10 0 CEAERO COCC[NH2+]Cc1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000069236647 523957273 /nfs/dbraw/zinc/95/72/73/523957273.db2.gz GOWGOFAAFZDQIB-UHFFFAOYSA-N 1 0 265.744 2.466 10 0 CEAERO CCc1ccc(N(C)C(=O)c2ccc(NN)[nH+]c2)cc1 ZINC000051116932 523957606 /nfs/dbraw/zinc/95/76/06/523957606.db2.gz JWEYSDPDEXFQNX-UHFFFAOYSA-N 1 0 270.336 2.206 10 0 CEAERO CC[C@H](C)[NH+]1CCN(c2ccc(N)c(OC(C)C)n2)CC1 ZINC000055066395 523960985 /nfs/dbraw/zinc/96/09/85/523960985.db2.gz GMNKBZZPTZRMHD-ZDUSSCGKSA-N 1 0 292.427 2.372 10 0 CEAERO C[N@@H+]1CC[C@@H](CNc2ccc(Cl)cc2C(N)=S)C1 ZINC000052858415 523961871 /nfs/dbraw/zinc/96/18/71/523961871.db2.gz PVIHFTDXCYGSBS-VIFPVBQESA-N 1 0 283.828 2.338 10 0 CEAERO COc1ccc(CC[NH2+]Cc2ccnc(C)n2)cc1 ZINC000054790011 523976130 /nfs/dbraw/zinc/97/61/30/523976130.db2.gz OVPMYRBKSDBURU-UHFFFAOYSA-N 1 0 257.337 2.126 10 0 CEAERO COC(=O)[C@](C)(C[C@@H](C)[N@H+](C)CCC(C)C)NC1CC1 ZINC000068638104 524000390 /nfs/dbraw/zinc/00/03/90/524000390.db2.gz SGRXATJTRDQDSA-CJNGLKHVSA-N 1 0 284.444 2.427 10 0 CEAERO C[NH+](C)C1CCN(C(=O)c2cccc3c2NCCC3)CC1 ZINC000050957753 524039439 /nfs/dbraw/zinc/03/94/39/524039439.db2.gz VNLCSWCPWWFCBS-UHFFFAOYSA-N 1 0 287.407 2.211 10 0 CEAERO COc1ccc(CN2C[C@H](C)[NH2+]CC2(C)C)cc1OC ZINC000068698163 524042166 /nfs/dbraw/zinc/04/21/66/524042166.db2.gz ONLRAVFZKMCREU-LBPRGKRZSA-N 1 0 278.396 2.276 10 0 CEAERO CNC(=O)CCCOc1cc(C)ccc1[C@H](C)[NH2+]C ZINC000068817077 524065312 /nfs/dbraw/zinc/06/53/12/524065312.db2.gz UGWUKQGOJPHDPB-LBPRGKRZSA-N 1 0 264.369 2.180 10 0 CEAERO CNC(=O)CCCOc1ccc(OC)cc1C[NH2+]C(C)C ZINC000068816079 524065497 /nfs/dbraw/zinc/06/54/97/524065497.db2.gz VNUHSDUNFZMOGP-UHFFFAOYSA-N 1 0 294.395 2.098 10 0 CEAERO CNC(=O)CCCOc1ccc(C[NH3+])cc1C(F)(F)F ZINC000068817030 524065535 /nfs/dbraw/zinc/06/55/35/524065535.db2.gz SFGPAJYUGUXTGX-UHFFFAOYSA-N 1 0 290.285 2.069 10 0 CEAERO CNC(=O)CCCOc1cccc(C[NH2+]C(C)C)c1 ZINC000068816214 524065612 /nfs/dbraw/zinc/06/56/12/524065612.db2.gz AQCFKEOYKLSSKN-UHFFFAOYSA-N 1 0 264.369 2.090 10 0 CEAERO CCc1cccc(C)c1NS(=O)(=O)C[C@@H]1CCC[NH2+]1 ZINC000049632365 524066173 /nfs/dbraw/zinc/06/61/73/524066173.db2.gz PYTAVKMBAKJRIK-ZDUSSCGKSA-N 1 0 282.409 2.051 10 0 CEAERO COc1ccc(C[NH2+]C(C)(C)C)c(OCC(=O)N(C)C)c1 ZINC000062733082 524068353 /nfs/dbraw/zinc/06/83/53/524068353.db2.gz JBTRZSSIJMIZLP-UHFFFAOYSA-N 1 0 294.395 2.050 10 0 CEAERO COc1ccc(C[NH2+]CC(C)C)c(OCCCO)c1 ZINC000062733245 524069455 /nfs/dbraw/zinc/06/94/55/524069455.db2.gz RRCLGFGAGNKFIX-UHFFFAOYSA-N 1 0 267.369 2.202 10 0 CEAERO COc1cccc([C@@H](O)[C@@H]([NH3+])Cc2ccccc2)c1OC ZINC000054685525 524106694 /nfs/dbraw/zinc/10/66/94/524106694.db2.gz VWVNSUQFBFEPKK-GOEBONIOSA-N 1 0 287.359 2.307 10 0 CEAERO COc1ccc(C[C@@H](C)[NH3+])c(OC2CCOCC2)c1 ZINC000069310724 524136367 /nfs/dbraw/zinc/13/63/67/524136367.db2.gz KSCNNYNKDUCTEA-LLVKDONJSA-N 1 0 265.353 2.143 10 0 CEAERO Cc1ccc(C)c(NS(=O)(=O)C[C@@H]2CCCC[NH2+]2)c1 ZINC000049630906 524161927 /nfs/dbraw/zinc/16/19/27/524161927.db2.gz ZHZHSNFCSVIZGW-ZDUSSCGKSA-N 1 0 282.409 2.187 10 0 CEAERO C[C@H]1CCC[C@H](C(=O)N2CCCC(C)(C)C2)[C@@H]1[NH3+] ZINC000070270104 524177256 /nfs/dbraw/zinc/17/72/56/524177256.db2.gz XNUTYXXBFUJMRG-RWMBFGLXSA-N 1 0 252.402 2.399 10 0 CEAERO C[C@H]1CCC[C@H](C[NH3+])N1Cc1nc(-c2cccs2)no1 ZINC000070155623 524195389 /nfs/dbraw/zinc/19/53/89/524195389.db2.gz PMKABNPGZJQLMX-WDEREUQCSA-N 1 0 292.408 2.500 10 0 CEAERO Cc1cccc(C(=O)NC[C@H]2CC[C@@H](C)[NH2+]C2)c1C ZINC000062036628 524199788 /nfs/dbraw/zinc/19/97/88/524199788.db2.gz YLHRTQBZGRQNBY-OCCSQVGLSA-N 1 0 260.381 2.421 10 0 CEAERO C[C@@H]1CCCN(c2nc3c(cc2C(N)=[NH2+])CCC3)[C@@H]1C ZINC000050565047 524248515 /nfs/dbraw/zinc/24/85/15/524248515.db2.gz GIYPCCYFCFNDHG-GHMZBOCLSA-N 1 0 272.396 2.479 10 0 CEAERO C[C@@H]1CCC[NH2+][C@H]1C(=O)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000051793039 524263596 /nfs/dbraw/zinc/26/35/96/524263596.db2.gz FQYYWQKZTBURNJ-LXTVHRRPSA-N 1 0 264.413 2.413 10 0 CEAERO C[C@@H]1CCC[C@@H](CNC(=O)c2cc(F)c(F)c(F)c2)[NH2+]1 ZINC000063005448 524294129 /nfs/dbraw/zinc/29/41/29/524294129.db2.gz AWARQBXCOQBDFV-SCZZXKLOSA-N 1 0 286.297 2.364 10 0 CEAERO C[C@H]1CCN(Cc2ccc3c(c2)OCO3)CC[C@H](C)[NH2+]1 ZINC000061675046 524296123 /nfs/dbraw/zinc/29/61/23/524296123.db2.gz RFCDMEGXNJJEME-STQMWFEESA-N 1 0 276.380 2.378 10 0 CEAERO C[C@H](CN1CCCCC1)[NH2+]CC(=O)Nc1ccccc1 ZINC000049501821 524330749 /nfs/dbraw/zinc/33/07/49/524330749.db2.gz PAUNNMFNZZLFRP-CQSZACIVSA-N 1 0 275.396 2.089 10 0 CEAERO C[C@H](C[NH+]1CCCCC1)Nc1nc(Cl)nc(Cl)n1 ZINC000061518684 524336115 /nfs/dbraw/zinc/33/61/15/524336115.db2.gz VMUZKBGMGVLGDD-MRVPVSSYSA-N 1 0 290.198 2.465 10 0 CEAERO C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(C[NH3+])cc2)C[C@@H]1C ZINC000068582969 524370552 /nfs/dbraw/zinc/37/05/52/524370552.db2.gz WAXYWVBVGAHQFB-SGMGOOAPSA-N 1 0 296.436 2.248 10 0 CEAERO C[C@@H]1CCC[C@H](C[NH3+])N1C(=O)c1cccn1C1CC1 ZINC000070152739 524376008 /nfs/dbraw/zinc/37/60/08/524376008.db2.gz PTNPDSKGAOVYAD-DGCLKSJQSA-N 1 0 261.369 2.165 10 0 CEAERO C[C@H]1CC[C@H](C[NH3+])CN1C(=O)c1ccc2c(c1)CCC2 ZINC000070179537 524405842 /nfs/dbraw/zinc/40/58/42/524405842.db2.gz MGMJUBLATIXGJN-QWHCGFSZSA-N 1 0 272.392 2.375 10 0 CEAERO C[C@H]1CC[C@H](CNC(=O)Nc2ccc(F)cc2F)C[NH2+]1 ZINC000062037372 524407037 /nfs/dbraw/zinc/40/70/37/524407037.db2.gz QNXUJQLVMNPZGW-UWVGGRQHSA-N 1 0 283.322 2.474 10 0 CEAERO C[C@H]1CCc2ccccc2N1CCN1CCC[NH2+]CC1 ZINC000061274917 524439164 /nfs/dbraw/zinc/43/91/64/524439164.db2.gz VNTABZOFVBTTHJ-HNNXBMFYSA-N 1 0 273.424 2.123 10 0 CEAERO Cc1cc(C)cc(OCCN2[C@H](C)C[NH2+]C[C@H]2C)c1 ZINC000069134423 524449056 /nfs/dbraw/zinc/44/90/56/524449056.db2.gz DQBHJBFFKGMCIP-HUUCEWRRSA-N 1 0 262.397 2.364 10 0 CEAERO C[C@@H](CC[NH+](C)C)Nc1ccc(C(N)=S)cc1F ZINC000049560163 524478327 /nfs/dbraw/zinc/47/83/27/524478327.db2.gz PLANGSKYFOMFIO-VIFPVBQESA-N 1 0 269.389 2.212 10 0 CEAERO C[C@@H]1CCN(C(=O)c2cc(Cl)cn2C2CC2)C[C@H]1[NH3+] ZINC000070145401 524482179 /nfs/dbraw/zinc/48/21/79/524482179.db2.gz ONSFRRIOASXMGX-BXKDBHETSA-N 1 0 281.787 2.286 10 0 CEAERO C[C@H](C[NH2+]C[C@@H]1CCCO1)OCc1ccccc1F ZINC000069286751 524483684 /nfs/dbraw/zinc/48/36/84/524483684.db2.gz PCKCUBMQCWRCDF-OCCSQVGLSA-N 1 0 267.344 2.499 10 0 CEAERO COc1ccccc1Cn1ccnc1C[NH2+]C(C)C ZINC000051005471 524519570 /nfs/dbraw/zinc/51/95/70/524519570.db2.gz MGPXXKXSMQFLQQ-UHFFFAOYSA-N 1 0 259.353 2.438 10 0 CEAERO COc1ccccc1N(C)c1ccnc(C(N)=[NH2+])c1 ZINC000061814328 524527733 /nfs/dbraw/zinc/52/77/33/524527733.db2.gz XRJZWWCPFMZGEK-UHFFFAOYSA-N 1 0 256.309 2.142 10 0 CEAERO COc1ccccc1N(CCC[NH3+])c1ncc(C)cn1 ZINC000063048345 524532292 /nfs/dbraw/zinc/53/22/92/524532292.db2.gz XAFIOJGJCUZWQZ-UHFFFAOYSA-N 1 0 272.352 2.281 10 0 CEAERO Cc1cc(C)n(C[C@H]2CC[C@@H](C[NH2+]C(C)C)O2)n1 ZINC000052575923 524536272 /nfs/dbraw/zinc/53/62/72/524536272.db2.gz POFZCDYNNQQLDX-UONOGXRCSA-N 1 0 251.374 2.046 10 0 CEAERO COc1ccccc1N1CC[NH+]([C@H](C)CC(C)=O)CC1 ZINC000068610299 524559501 /nfs/dbraw/zinc/55/95/01/524559501.db2.gz JBYYZYKOOYZZRJ-CYBMUJFWSA-N 1 0 276.380 2.185 10 0 CEAERO Cc1ccc(C[NH2+]CC(=O)N2CCCCC2)cc1C ZINC000067672789 524573875 /nfs/dbraw/zinc/57/38/75/524573875.db2.gz JUERIZCXFMHJMR-UHFFFAOYSA-N 1 0 260.381 2.406 10 0 CEAERO Cc1cccc(NC(=O)C[NH2+][C@H](CC(C)C)CN(C)C)c1 ZINC000049556013 524598491 /nfs/dbraw/zinc/59/84/91/524598491.db2.gz RDOXIEGCGWBVJZ-MRXNPFEDSA-N 1 0 291.439 2.499 10 0 CEAERO COc1ccc(NC(=O)[C@@H]2[NH2+]CCC[C@H]2C)c(C)c1 ZINC000061568491 524599880 /nfs/dbraw/zinc/59/98/80/524599880.db2.gz GWHYXNKJWRKSNU-QMTHXVAHSA-N 1 0 262.353 2.330 10 0 CEAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cccc(F)c1N ZINC000054212649 524604542 /nfs/dbraw/zinc/60/45/42/524604542.db2.gz GLPLDOGSHIMHPX-NSHDSACASA-N 1 0 279.359 2.012 10 0 CEAERO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2CCCO2)cc1 ZINC000183127803 524604933 /nfs/dbraw/zinc/60/49/33/524604933.db2.gz MDNWLBKXSWGLLA-SLEUVZQESA-N 1 0 292.379 2.179 10 0 CEAERO C[C@@H]1CC[C@H](C[NH3+])CN1C(=O)c1cc(F)c(F)c(F)c1 ZINC000070180732 524670177 /nfs/dbraw/zinc/67/01/77/524670177.db2.gz MPAITMKLNPRHIT-RKDXNWHRSA-N 1 0 286.297 2.303 10 0 CEAERO Cc1cccc(NCC[N@H+]2CCC[C@@H]2CN(C)C)c1 ZINC000061655247 524674793 /nfs/dbraw/zinc/67/47/93/524674793.db2.gz YFHVDMPYJQIWTM-MRXNPFEDSA-N 1 0 261.413 2.433 10 0 CEAERO C[C@H]1CN(c2nc(C3CC3)c(C[NH3+])s2)C[C@H](C)O1 ZINC000069146667 524675166 /nfs/dbraw/zinc/67/51/66/524675166.db2.gz FKBJYFHEHMIAHC-IUCAKERBSA-N 1 0 267.398 2.093 10 0 CEAERO Cc1cccc(NS(=O)(=O)C[C@@H]2CCCC[NH2+]2)c1C ZINC000049630902 524688793 /nfs/dbraw/zinc/68/87/93/524688793.db2.gz RKKGOPNKVMLNQB-ZDUSSCGKSA-N 1 0 282.409 2.187 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C)N1C(=O)c1cccc2ncccc21 ZINC000069133127 524698614 /nfs/dbraw/zinc/69/86/14/524698614.db2.gz ORPQJPOIRKWKEV-RYUDHWBXSA-N 1 0 269.348 2.057 10 0 CEAERO COc1ccccc1S(=O)(=O)[C@@H]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC000068609458 524706951 /nfs/dbraw/zinc/70/69/51/524706951.db2.gz CXLGGBIFZAEDJN-YWPYICTPSA-N 1 0 297.420 2.232 10 0 CEAERO C[C@@H](C[NH2+]C(C)(C)C)Oc1cccc(S(C)(=O)=O)c1 ZINC000052701405 524732884 /nfs/dbraw/zinc/73/28/84/524732884.db2.gz SZJSYHNXTOPIKM-NSHDSACASA-N 1 0 285.409 2.246 10 0 CEAERO C[C@@H](C[NH2+]C(C)(C)C)COc1cccc(S(C)(=O)=O)c1 ZINC000052701489 524733414 /nfs/dbraw/zinc/73/34/14/524733414.db2.gz MSCRPDFMZOKKEI-LBPRGKRZSA-N 1 0 299.436 2.493 10 0 CEAERO C[C@H](Cc1ccco1)[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000062771234 524747594 /nfs/dbraw/zinc/74/75/94/524747594.db2.gz BMEPUEPYYKHEIF-ZIAGYGMSSA-N 1 0 286.379 2.259 10 0 CEAERO Cc1cc(C[NH2+][C@H](CC(C)C)C(=O)N(C)C)c(C)n1C ZINC000052789893 524780037 /nfs/dbraw/zinc/78/00/37/524780037.db2.gz QZHIPVMINZPAJV-OAHLLOKOSA-N 1 0 279.428 2.234 10 0 CEAERO C[C@H]([NH3+])c1ccc(S(=O)(=O)N[C@@H](C)CC2CC2)cc1 ZINC000070105158 524866718 /nfs/dbraw/zinc/86/67/18/524866718.db2.gz XOKGGJVQCNPINQ-QWRGUYRKSA-N 1 0 282.409 2.173 10 0 CEAERO Cc1ccc(F)cc1[C@@](O)([C@H](C)[NH3+])C(F)(F)F ZINC000062784365 524874353 /nfs/dbraw/zinc/87/43/53/524874353.db2.gz MLCOAQDFFIEFQN-XVKPBYJWSA-N 1 0 251.223 2.231 10 0 CEAERO COc1ccc(OC)c([C@@H](O)[C@H]([NH3+])Cc2ccccc2)c1 ZINC000054685607 524888272 /nfs/dbraw/zinc/88/82/72/524888272.db2.gz ZNJFUJZJYUTBEP-NVXWUHKLSA-N 1 0 287.359 2.307 10 0 CEAERO C[C@@H]1CN(C)c2c(Br)cccc2C[NH2+]1 ZINC000062625830 524914355 /nfs/dbraw/zinc/91/43/55/524914355.db2.gz AMQJLEUERIBHOD-MRVPVSSYSA-N 1 0 255.159 2.377 10 0 CEAERO C[C@@H](Cc1ccco1)NC(=O)c1cccc(C[NH3+])c1 ZINC000049126629 524927588 /nfs/dbraw/zinc/92/75/88/524927588.db2.gz XKBOXVPTVHFOJU-NSHDSACASA-N 1 0 258.321 2.099 10 0 CEAERO COc1ccc(OC[C@H](C)O)c(C[NH2+]C(C)(C)C)c1 ZINC000062727538 524971238 /nfs/dbraw/zinc/97/12/38/524971238.db2.gz VTFYFJFPEILPNH-NSHDSACASA-N 1 0 267.369 2.343 10 0 CEAERO C[C@H]1Cc2ccccc2N1Cc1cccnc1C[NH3+] ZINC000061656468 524994429 /nfs/dbraw/zinc/99/44/29/524994429.db2.gz MIUIMIFWVXEMGJ-LBPRGKRZSA-N 1 0 253.349 2.492 10 0 CEAERO C[C@@H]([NH3+])CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000048603558 524995404 /nfs/dbraw/zinc/99/54/04/524995404.db2.gz ZXOQUMHGXSSKRI-RKDXNWHRSA-N 1 0 285.185 2.364 10 0 CEAERO C[C@@H]([NH3+])Cc1cnn(Cc2cc(F)ccc2F)c1 ZINC000054741464 524999603 /nfs/dbraw/zinc/99/96/03/524999603.db2.gz ARAWOJCCLFKABQ-SECBINFHSA-N 1 0 251.280 2.099 10 0 CEAERO C[C@@H]([NH3+])Cc1nccn1Cc1cc(F)ccc1F ZINC000062802956 525000596 /nfs/dbraw/zinc/00/05/96/525000596.db2.gz BKSJVTHSCZUGCP-SECBINFHSA-N 1 0 251.280 2.099 10 0 CEAERO C[C@@H]([NH3+])[C@@H](Oc1cccc(F)c1F)c1cnn(C)c1 ZINC000062612080 525003912 /nfs/dbraw/zinc/00/39/12/525003912.db2.gz IUUHMYUNRCAKRG-AMIZOPFISA-N 1 0 267.279 2.166 10 0 CEAERO C[C@@H]([NH3+])[C@H](Sc1nnc2ccccn21)c1ccccn1 ZINC000061406120 525016961 /nfs/dbraw/zinc/01/69/61/525016961.db2.gz KTYFEMBVPLJUIU-MFKMUULPSA-N 1 0 285.376 2.305 10 0 CEAERO C[C@@H]([NH3+])[C@H]1CCCN(c2cc3ccccc3c(=O)[nH]2)C1 ZINC000070175208 525021473 /nfs/dbraw/zinc/02/14/73/525021473.db2.gz LVGCAKTZEQPNNF-YPMHNXCESA-N 1 0 271.364 2.092 10 0 CEAERO C[C@@H]1CN(Cc2ccoc2C[NH2+]C2CC2)C[C@@H](C)O1 ZINC000052380455 525023491 /nfs/dbraw/zinc/02/34/91/525023491.db2.gz QYLCBSZDBYFHPO-VXGBXAGGSA-N 1 0 264.369 2.141 10 0 CEAERO C[C@@H]([NH3+])c1ccc(Sc2n[nH]c(=O)n2C2CC2)c(F)c1 ZINC000061595878 525030538 /nfs/dbraw/zinc/03/05/38/525030538.db2.gz MECGPTMAZNGIDC-SSDOTTSWSA-N 1 0 294.355 2.216 10 0 CEAERO C[C@@H]([NH3+])c1cnc(N2CC(=O)Nc3ccccc32)s1 ZINC000054894854 525032518 /nfs/dbraw/zinc/03/25/18/525032518.db2.gz WPMWEMXTBVXNPX-MRVPVSSYSA-N 1 0 274.349 2.253 10 0 CEAERO C[C@@H]([NH3+])c1noc(COc2cccc(Cl)c2)n1 ZINC000051018741 525032763 /nfs/dbraw/zinc/03/27/63/525032763.db2.gz ULHABLGKTPWNOW-SSDOTTSWSA-N 1 0 253.689 2.322 10 0 CEAERO C[C@@H]([NH3+])c1ccccc1Sc1n[nH]c(=O)n1C1CC1 ZINC000061595876 525033799 /nfs/dbraw/zinc/03/37/99/525033799.db2.gz YIUAYWSDXCNPJG-MRVPVSSYSA-N 1 0 276.365 2.077 10 0 CEAERO COc1ncccc1C(=O)Nc1ccccc1[C@H](C)[NH3+] ZINC000061442717 525043326 /nfs/dbraw/zinc/04/33/26/525043326.db2.gz XAPRVNNUAZTHCW-JTQLQIEISA-N 1 0 271.320 2.362 10 0 CEAERO COc1ncccc1[C@@H]([NH3+])c1ccc(F)cc1F ZINC000061443194 525076077 /nfs/dbraw/zinc/07/60/77/525076077.db2.gz JXLLQKUWQKCJIA-LBPRGKRZSA-N 1 0 250.248 2.417 10 0 CEAERO C[C@@H](NC(=O)CC[C@H]1CCCC[NH2+]1)c1cccc(O)c1 ZINC000050943508 525091347 /nfs/dbraw/zinc/09/13/47/525091347.db2.gz RXTYKJJMMOCWKP-TZMCWYRMSA-N 1 0 276.380 2.492 10 0 CEAERO CS(=O)(=O)CCC[C@@H]([NH3+])c1ccc2ncccc2c1 ZINC000063017475 525118514 /nfs/dbraw/zinc/11/85/14/525118514.db2.gz COBKKZOFXHABAO-CYBMUJFWSA-N 1 0 278.377 2.059 10 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QPZNRUSOPVXZDC-RHSMWYFYSA-N 1 0 292.423 2.193 10 0 CEAERO Cc1cc(S[C@@H](CC[NH3+])C(F)(F)F)n(C)n1 ZINC000052310606 525439494 /nfs/dbraw/zinc/43/94/94/525439494.db2.gz FFPHFOUWBNZAOX-ZETCQYMHSA-N 1 0 253.293 2.100 10 0 CEAERO Cc1cc(Sc2ccc(C(N)=[NH2+])cc2F)n(C)n1 ZINC000052310038 525440645 /nfs/dbraw/zinc/44/06/45/525440645.db2.gz ZNMBBZFDILIUTO-UHFFFAOYSA-N 1 0 264.329 2.303 10 0 CEAERO COc1ccc([C@](C)(O)C[NH2+]CC(C)C)cc1F ZINC000055033484 525445310 /nfs/dbraw/zinc/44/53/10/525445310.db2.gz LTWJEXMHSXHVNA-CQSZACIVSA-N 1 0 255.333 2.287 10 0 CEAERO Cc1ccc(O[C@@H](C)C[C@](C)([NH2+]C2CC2)C(N)=O)c(C)c1 ZINC000068655172 525461722 /nfs/dbraw/zinc/46/17/22/525461722.db2.gz QNOVECKNYOHGMV-GUYCJALGSA-N 1 0 290.407 2.457 10 0 CEAERO C[C@H]([NH2+]Cc1ccsc1)C(=O)NC1CCCC1 ZINC000059639537 525473212 /nfs/dbraw/zinc/47/32/12/525473212.db2.gz XTLCNZYEFRFQJJ-JTQLQIEISA-N 1 0 252.383 2.285 10 0 CEAERO Cc1cccnc1N(CCC(N)=[NH2+])Cc1cccnc1 ZINC000051040819 525533419 /nfs/dbraw/zinc/53/34/19/525533419.db2.gz DFJKKPQIBVONSJ-UHFFFAOYSA-N 1 0 269.352 2.118 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCCc2sccc21)C(=O)NC1CC1 ZINC000061362442 525563939 /nfs/dbraw/zinc/56/39/39/525563939.db2.gz XAPVNPAFAPBORZ-JOYOIKCWSA-N 1 0 264.394 2.382 10 0 CEAERO C[C@@H]([NH2+][C@@H](C(=O)[O-])c1ccccc1)C1CC[NH+](C)CC1 ZINC000050509513 525589250 /nfs/dbraw/zinc/58/92/50/525589250.db2.gz SHGPUTGMIQCHLP-IUODEOHRSA-N 1 0 276.380 2.132 10 0 CEAERO Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)[C@@H]1CC[NH2+]C1 ZINC000062114168 525626232 /nfs/dbraw/zinc/62/62/32/525626232.db2.gz JDTSSRSBSGHMPM-DGCLKSJQSA-N 1 0 276.380 2.327 10 0 CEAERO Cc1ccnc(-n2cc(CCC[NH2+]C3CC3)cn2)c1 ZINC000054680912 525631601 /nfs/dbraw/zinc/63/16/01/525631601.db2.gz VPTHTAVWWQOQMP-UHFFFAOYSA-N 1 0 256.353 2.260 10 0 CEAERO Cc1cc2ncc(C[NH2+]C[C@@H]3CC=CCC3)cn2n1 ZINC000070166089 525681632 /nfs/dbraw/zinc/68/16/32/525681632.db2.gz FVSSXGUZSUVBKF-CYBMUJFWSA-N 1 0 256.353 2.484 10 0 CEAERO CSC[C@H](C)C[NH2+][C@@H]1CCCc2c1cnn2C ZINC000069437882 525682457 /nfs/dbraw/zinc/68/24/57/525682457.db2.gz DUAJHVVCIAVCFV-ZYHUDNBSSA-N 1 0 253.415 2.386 10 0 CEAERO Cc1cc2ncnn2c(N[C@H](CC(C)C)C[NH+](C)C)c1 ZINC000049558194 525685393 /nfs/dbraw/zinc/68/53/93/525685393.db2.gz SBVKCQOCBMGDAS-CYBMUJFWSA-N 1 0 275.400 2.426 10 0 CEAERO Cc1ccnc(SCC[NH2+][C@@H](C)[C@@H]2CCCO2)n1 ZINC000053623681 525708826 /nfs/dbraw/zinc/70/88/26/525708826.db2.gz PQLYZOOTUPERGR-RYUDHWBXSA-N 1 0 267.398 2.034 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)[C@H]2CCC[NH2+]C2)s1 ZINC000049185316 525714089 /nfs/dbraw/zinc/71/40/89/525714089.db2.gz GSJYMOVPIQRABS-MNOVXSKESA-N 1 0 252.383 2.233 10 0 CEAERO C[C@@](O)(COc1cccc(C[NH3+])c1)c1ccccc1 ZINC000052096835 525780416 /nfs/dbraw/zinc/78/04/16/525780416.db2.gz WYSPVFUTYFTMSE-MRXNPFEDSA-N 1 0 257.333 2.432 10 0 CEAERO C[C@H](O)c1ccc(NC(=O)N[C@@H](C)CC[NH+](C)C)cc1 ZINC000049562071 525856515 /nfs/dbraw/zinc/85/65/15/525856515.db2.gz PIFPBMUONMGCPK-RYUDHWBXSA-N 1 0 279.384 2.202 10 0 CEAERO C[C@H](O)c1ccccc1NC(=O)C[NH2+]C1CCCC1 ZINC000049547361 525860428 /nfs/dbraw/zinc/86/04/28/525860428.db2.gz NDAWAIARIVLGOW-NSHDSACASA-N 1 0 262.353 2.211 10 0 CEAERO C[C@@H](O)c1ccc(N2CCC[C@@H]2C[NH+](C)C)c(F)c1 ZINC000061645485 525867540 /nfs/dbraw/zinc/86/75/40/525867540.db2.gz HYCIZQFSYDTKGC-DGCLKSJQSA-N 1 0 266.360 2.409 10 0 CEAERO C[C@@H](O)c1ccccc1NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000049547194 525873152 /nfs/dbraw/zinc/87/31/52/525873152.db2.gz NWRLHHJBRPSMIX-IAQYHMDHSA-N 1 0 270.332 2.378 10 0 CEAERO C[C@@H](O)c1ccccc1NC(=O)c1ccc(C[NH3+])cc1 ZINC000049547293 525873367 /nfs/dbraw/zinc/87/33/67/525873367.db2.gz JDQLLTTUIFXEFB-LLVKDONJSA-N 1 0 270.332 2.451 10 0 CEAERO COc1cccc(CN(C)Cc2cccnc2C(N)=[NH2+])c1 ZINC000061658123 525915104 /nfs/dbraw/zinc/91/51/04/525915104.db2.gz IXJNFVNUQCTFAS-UHFFFAOYSA-N 1 0 284.363 2.006 10 0 CEAERO COc1cccc(CN(C)CC[NH2+]CC(C)C)c1 ZINC000052372906 525915158 /nfs/dbraw/zinc/91/51/58/525915158.db2.gz MXHGYLODFDOWSW-UHFFFAOYSA-N 1 0 250.386 2.373 10 0 CEAERO C[C@H](Oc1cccc2c1CC[C@H]2[NH3+])C(=O)N1CCCC1 ZINC000062798672 525951363 /nfs/dbraw/zinc/95/13/63/525951363.db2.gz QNWIPCRSFUARFZ-SMDDNHRTSA-N 1 0 274.364 2.022 10 0 CEAERO Cc1ccc(=O)n(C[C@@H]([NH3+])C23CC4CC(CC(C4)C2)C3)n1 ZINC000061810463 525975748 /nfs/dbraw/zinc/97/57/48/525975748.db2.gz UMSRSSCPQHPJSX-UZZMVUAXSA-N 1 0 287.407 2.095 10 0 CEAERO Cc1ccc(C(N)=[NH2+])c(-n2ncc3ccccc32)n1 ZINC000050526157 526011603 /nfs/dbraw/zinc/01/16/03/526011603.db2.gz SFIDAEAVZJFWNX-UHFFFAOYSA-N 1 0 251.293 2.013 10 0 CEAERO C[C@H](c1ccc(C[NH3+])cc1)N1C(=O)CC(C)(C)CC1=O ZINC000061824487 526046399 /nfs/dbraw/zinc/04/63/99/526046399.db2.gz HMQYSOJGNLFOQX-LLVKDONJSA-N 1 0 274.364 2.382 10 0 CEAERO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)[C@]1(C)CC[NH2+]C1 ZINC000062894857 526049337 /nfs/dbraw/zinc/04/93/37/526049337.db2.gz JCZZDYLMXKYWFX-ZUZCIYMTSA-N 1 0 282.334 2.484 10 0 CEAERO C[C@H](c1ccccc1F)n1nnnc1C[NH2+]C(C)(C)C ZINC000054747209 526119354 /nfs/dbraw/zinc/11/93/54/526119354.db2.gz QJFTXSKZOFXFBX-SNVBAGLBSA-N 1 0 277.347 2.310 10 0 CEAERO C[C@H](c1nc([C@H]2CCOC2)no1)[C@H]([NH3+])c1ccccc1 ZINC000157960409 526178744 /nfs/dbraw/zinc/17/87/44/526178744.db2.gz OYSICQBDVDGGNA-DRZSPHRISA-N 1 0 273.336 2.377 10 0 CEAERO COc1cccc(OC)c1OCC[NH2+][C@H](C)C1CC1 ZINC000053563040 526223617 /nfs/dbraw/zinc/22/36/17/526223617.db2.gz FEIALDFZDUEQEH-LLVKDONJSA-N 1 0 265.353 2.471 10 0 CEAERO C[C@@H]1CCC(=O)[C@@H](C[NH+]2CCN(C(C)(C)C)CC2)C1 ZINC000053930350 526238170 /nfs/dbraw/zinc/23/81/70/526238170.db2.gz ZSLLGJOXOFVRND-ZIAGYGMSSA-N 1 0 266.429 2.408 10 0 CEAERO Cc1ccc2n1CCN(C(=O)C[C@@H]1CCC[NH2+]C1)[C@@H]2C ZINC000054307663 526240423 /nfs/dbraw/zinc/24/04/23/526240423.db2.gz XUBYVGXKLFCPOI-KGLIPLIRSA-N 1 0 275.396 2.089 10 0 CEAERO C[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc(NN)[nH+]c1 ZINC000051119155 526260920 /nfs/dbraw/zinc/26/09/20/526260920.db2.gz RBDCHOMSAPOXQC-CMPLNLGQSA-N 1 0 262.357 2.018 10 0 CEAERO O[C@H](C[NH2+]CCSc1ccccc1)C(F)(F)F ZINC000068879290 526276323 /nfs/dbraw/zinc/27/63/23/526276323.db2.gz VECVTDWKVMLOPR-SNVBAGLBSA-N 1 0 265.300 2.292 10 0 CEAERO Cc1nn(CCCCC[NH3+])c(C)c1Br ZINC000050589274 526279290 /nfs/dbraw/zinc/27/92/90/526279290.db2.gz MCLXIPVQZCSBSV-UHFFFAOYSA-N 1 0 260.179 2.391 10 0 CEAERO Cc1csc(NC(=O)[C@@H](C[NH3+])c2ccccc2)n1 ZINC000061610967 526390771 /nfs/dbraw/zinc/39/07/71/526390771.db2.gz YAGQPBQERYOBJH-NSHDSACASA-N 1 0 261.350 2.133 10 0 CEAERO c1ccc(-c2nnc(CC[NH2+]C[C@H]3CCCO3)o2)cc1 ZINC000062653070 526456109 /nfs/dbraw/zinc/45/61/09/526456109.db2.gz SKHPLABFOJUFRR-CYBMUJFWSA-N 1 0 273.336 2.048 10 0 CEAERO c1ccc(CN2CC[NH2+][C@H](C3CCCCC3)C2)nc1 ZINC000068693864 526470823 /nfs/dbraw/zinc/47/08/23/526470823.db2.gz FXJOTFKAKBGNIS-INIZCTEOSA-N 1 0 259.397 2.436 10 0 CEAERO c1ccc([C@@H]2CCc3[nH]nc(N4CC[NH2+]CC4)c3C2)cc1 ZINC000062670022 526493303 /nfs/dbraw/zinc/49/33/03/526493303.db2.gz CYQOFRMJPMUZDG-CQSZACIVSA-N 1 0 282.391 2.092 10 0 CEAERO O=C(CC[NH2+][C@H]1CCCc2sccc21)NC1CC1 ZINC000061362163 526515360 /nfs/dbraw/zinc/51/53/60/526515360.db2.gz ACFVEJVEYDLCEZ-LBPRGKRZSA-N 1 0 264.394 2.384 10 0 CEAERO c1ccn2c(c1)nnc2SCC[C@H]1CCC[NH2+]C1 ZINC000061407715 526524118 /nfs/dbraw/zinc/52/41/18/526524118.db2.gz SOPCDGMHQPJPQI-LLVKDONJSA-N 1 0 262.382 2.211 10 0 CEAERO c1cnc2c(c1)cccc2CN1CC[NH2+][C@@H](C2CC2)C1 ZINC000068692687 526542760 /nfs/dbraw/zinc/54/27/60/526542760.db2.gz MZPNFSHLMVMGGQ-MRXNPFEDSA-N 1 0 267.376 2.419 10 0 CEAERO c1cncc(-c2noc(CC[C@@H]3CCCC[NH2+]3)n2)c1 ZINC000050927983 526546674 /nfs/dbraw/zinc/54/66/74/526546674.db2.gz IFTYSOQDVPEDOB-LBPRGKRZSA-N 1 0 258.325 2.206 10 0 CEAERO O=C(CC[C@H]1CCCC[NH2+]1)Nc1ccc(CCO)cc1 ZINC000050949812 526565724 /nfs/dbraw/zinc/56/57/24/526565724.db2.gz YGGMVFQDUUYOSG-CQSZACIVSA-N 1 0 276.380 2.082 10 0 CEAERO O=C(CC[C@H]1CCCCO1)N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000069398918 526566432 /nfs/dbraw/zinc/56/64/32/526566432.db2.gz DYOURRLQEDSIMJ-QLFBSQMISA-N 1 0 280.412 2.079 10 0 CEAERO Cc1nc(C)n(Cc2ccc(C[NH2+]C(C)C)cc2)n1 ZINC000052574466 526764650 /nfs/dbraw/zinc/76/46/50/526764650.db2.gz KPGPWOPBDWUZAQ-UHFFFAOYSA-N 1 0 258.369 2.441 10 0 CEAERO O=C(c1cccn1C1CC1)N1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000051358261 526816594 /nfs/dbraw/zinc/81/65/94/526816594.db2.gz LWFVWAOMEBHHIY-KGLIPLIRSA-N 1 0 273.380 2.180 10 0 CEAERO NC(=[NH2+])N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000058824944 526818211 /nfs/dbraw/zinc/81/82/11/526818211.db2.gz DAXAVVYIAXNVMY-UHFFFAOYSA-N 1 0 273.167 2.009 10 0 CEAERO NC(=[NH2+])c1ccc(CSC2CCOCC2)cc1 ZINC000062054549 526821873 /nfs/dbraw/zinc/82/18/73/526821873.db2.gz UCGOQWGATJEODP-UHFFFAOYSA-N 1 0 250.367 2.383 10 0 CEAERO NC(=[NH2+])c1ccc(Cl)cc1OC[C@@H]1CCOC1 ZINC000062789186 526822819 /nfs/dbraw/zinc/82/28/19/526822819.db2.gz MHIWBTLERDMJQA-MRVPVSSYSA-N 1 0 254.717 2.039 10 0 CEAERO O=C1CCc2cc(F)ccc2N1CC[C@H]1CCC[NH2+]C1 ZINC000051919881 526997465 /nfs/dbraw/zinc/99/74/65/526997465.db2.gz FENQQZVFPQHEQJ-GFCCVEGCSA-N 1 0 276.355 2.495 10 0 CEAERO NC(=O)c1cc(Cl)ccc1N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000052858813 527025252 /nfs/dbraw/zinc/02/52/52/527025252.db2.gz OOLANVBEGNYHOV-GXTWGEPZSA-N 1 0 293.798 2.160 10 0 CEAERO NC(=O)c1ccc(N2CCC[C@H]2[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000062791382 527057235 /nfs/dbraw/zinc/05/72/35/527057235.db2.gz KUHASUMKXQXWAR-JSGCOSHPSA-N 1 0 293.798 2.160 10 0 CEAERO NC(=S)c1ccc(F)cc1C[N@@H+]1CCCC[C@@H]1CCO ZINC000069402568 527119116 /nfs/dbraw/zinc/11/91/16/527119116.db2.gz JHFYDNMEVMCLIV-CYBMUJFWSA-N 1 0 296.411 2.197 10 0 CEAERO Cc1[nH+]c2cc(N)ccc2n1Cc1ccnc(C)n1 ZINC000052853810 527123994 /nfs/dbraw/zinc/12/39/94/527123994.db2.gz UMLBYUFVFQIGRL-UHFFFAOYSA-N 1 0 253.309 2.074 10 0 CEAERO [NH3+]C1CCC(C(=O)Nc2nc(C3CC3)cs2)CC1 ZINC000049237088 527139261 /nfs/dbraw/zinc/13/92/61/527139261.db2.gz FRRUXMNSPRGJHG-UHFFFAOYSA-N 1 0 265.382 2.477 10 0 CEAERO O=Cc1ccc(N2CC[C@H]([NH+]3CCCC3)C2)c(F)c1 ZINC000062980943 527147597 /nfs/dbraw/zinc/14/75/97/527147597.db2.gz YONNEHVJWXDTDJ-ZDUSSCGKSA-N 1 0 262.328 2.313 10 0 CEAERO O=C(C[C@H]1C=CCC1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063189381 527154804 /nfs/dbraw/zinc/15/48/04/527154804.db2.gz ZJQGURXKRVCPPL-KKUMJFAQSA-N 1 0 262.397 2.476 10 0 CEAERO [NH3+]CCCCCOc1cncc(Br)c1 ZINC000070043318 527175906 /nfs/dbraw/zinc/17/59/06/527175906.db2.gz LZRKOKPKAIDTLC-UHFFFAOYSA-N 1 0 259.147 2.352 10 0 CEAERO [NH3+]CCc1ccc(NC(=O)CC[C@@H]2CCCCO2)cc1 ZINC000069383661 527196703 /nfs/dbraw/zinc/19/67/03/527196703.db2.gz SSBXWXODGFJTAN-HNNXBMFYSA-N 1 0 276.380 2.476 10 0 CEAERO [NH3+]CCc1cnc(Cc2ccccc2Br)nc1 ZINC000055336113 527197653 /nfs/dbraw/zinc/19/76/53/527197653.db2.gz VWOZQKMRTHSNDG-UHFFFAOYSA-N 1 0 292.180 2.331 10 0 CEAERO [NH3+]C[C@@H]1CC[C@@H](COc2cccc(Br)c2)O1 ZINC000052674049 527218016 /nfs/dbraw/zinc/21/80/16/527218016.db2.gz WFSSQGRQCMRIJM-RYUDHWBXSA-N 1 0 286.169 2.334 10 0 CEAERO [NH3+]C[C@@H]1CC[C@H](COc2ccc3c(c2)CCCC3)O1 ZINC000052706834 527219927 /nfs/dbraw/zinc/21/99/27/527219927.db2.gz TXUPENJRSPCYML-JKSUJKDBSA-N 1 0 261.365 2.451 10 0 CEAERO [NH3+]C[C@H](c1nncn1-c1ccccc1)c1ccccc1 ZINC000061609644 527230061 /nfs/dbraw/zinc/23/00/61/527230061.db2.gz QJDDYDJCCCUSEN-HNNXBMFYSA-N 1 0 264.332 2.358 10 0 CEAERO [NH3+]C[C@H](c1ccccc1F)N(CCO)Cc1ccccc1 ZINC000050514079 527230164 /nfs/dbraw/zinc/23/01/64/527230164.db2.gz ZVSSCDNKSYCFTF-QGZVFWFLSA-N 1 0 288.366 2.320 10 0 CEAERO [NH3+]C[C@H](c1ccccc1)N(CCO)Cc1ccccc1 ZINC000050514006 527230581 /nfs/dbraw/zinc/23/05/81/527230581.db2.gz MOKWCORLJGXTTL-QGZVFWFLSA-N 1 0 270.376 2.181 10 0 CEAERO [NH3+]Cc1ccc(NC(=O)Cn2ncc3ccccc32)cc1 ZINC000050524542 527255548 /nfs/dbraw/zinc/25/55/48/527255548.db2.gz DETYGRLNZDASGS-UHFFFAOYSA-N 1 0 280.331 2.134 10 0 CEAERO [NH3+]Cc1ccc(NC(=O)COCc2ccccc2F)cc1 ZINC000069282963 527255578 /nfs/dbraw/zinc/25/55/78/527255578.db2.gz PJAUBFXVGZQCCB-UHFFFAOYSA-N 1 0 288.322 2.440 10 0 CEAERO [NH3+]Cc1occc1COc1cncc(Br)c1 ZINC000070044138 527269151 /nfs/dbraw/zinc/26/91/51/527269151.db2.gz YITVJIDBCXEBFJ-UHFFFAOYSA-N 1 0 283.125 2.475 10 0 CEAERO O=C(Nc1ccc2c(c1)OCO2)c1ccc2c(c1)C[NH2+]C2 ZINC000156649101 527290334 /nfs/dbraw/zinc/29/03/34/527290334.db2.gz SFDDPVUBSIXCCO-UHFFFAOYSA-N 1 0 282.299 2.271 10 0 CEAERO [NH3+][C@@H](c1nc2cc3c(cc2[nH]1)OCCCO3)C1CC1 ZINC000054501684 527340732 /nfs/dbraw/zinc/34/07/32/527340732.db2.gz HRQNHQKANWUMBT-CYBMUJFWSA-N 1 0 259.309 2.134 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C1 ZINC000052017787 527368874 /nfs/dbraw/zinc/36/88/74/527368874.db2.gz RVZCMXIUPXTTAR-FRRDWIJNSA-N 1 0 268.364 2.193 10 0 CEAERO [NH3+][C@H](c1cncnc1)c1ccccc1Br ZINC000052887389 527392829 /nfs/dbraw/zinc/39/28/29/527392829.db2.gz VPPOOTXFHLHUHR-LLVKDONJSA-N 1 0 264.126 2.287 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1NC(=O)c1c(F)cccc1Cl ZINC000063172750 527407960 /nfs/dbraw/zinc/40/79/60/527407960.db2.gz BEYATJONOGPPLU-VHSXEESVSA-N 1 0 256.708 2.089 10 0 CEAERO [NH3+][C@H]1Cc2ccccc2N(CC(=O)Nc2ccccc2)C1 ZINC000070196756 527421212 /nfs/dbraw/zinc/42/12/12/527421212.db2.gz UYRYVBVYJQXERJ-AWEZNQCLSA-N 1 0 281.359 2.015 10 0 CEAERO Cc1nccn1CCN1CC[NH2+][C@@H](C2CCCCC2)C1 ZINC000068693875 527426046 /nfs/dbraw/zinc/42/60/46/527426046.db2.gz FIRCSAFRKXSHHH-MRXNPFEDSA-N 1 0 276.428 2.046 10 0 CEAERO Nc1cc(Cl)ccc1C(=O)NCC[NH+]1CCCCC1 ZINC000049574373 527451836 /nfs/dbraw/zinc/45/18/36/527451836.db2.gz KMWHKSXSCCFPDP-UHFFFAOYSA-N 1 0 281.787 2.138 10 0 CEAERO Nc1ccc(Cl)c(C[N@H+](CCO)C2CCCC2)n1 ZINC000061638572 527486088 /nfs/dbraw/zinc/48/60/88/527486088.db2.gz DFQTWCHEYGKGQU-UHFFFAOYSA-N 1 0 269.776 2.054 10 0 CEAERO O=C(Nc1nc2c(s1)CCC2)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000049547736 527511231 /nfs/dbraw/zinc/51/12/31/527511231.db2.gz GZBINPOAOIRKKZ-JFGNBEQYSA-N 1 0 291.420 2.491 10 0 CEAERO OCC1([NH2+]Cc2c[nH]nc2-c2ccccc2)CCCC1 ZINC000053044788 527525364 /nfs/dbraw/zinc/52/53/64/527525364.db2.gz SJOSDVIBSBGDEK-UHFFFAOYSA-N 1 0 271.364 2.471 10 0 CEAERO Nc1[nH+]c2cc(Br)ccc2n1C[C@H]1CCOC1 ZINC000061146978 527560947 /nfs/dbraw/zinc/56/09/47/527560947.db2.gz XOLWFPQDYGBKBY-MRVPVSSYSA-N 1 0 296.168 2.418 10 0 CEAERO Nc1snnc1C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000050815619 527582031 /nfs/dbraw/zinc/58/20/31/527582031.db2.gz UJHNILRKGAWCRF-NSHDSACASA-N 1 0 252.387 2.275 10 0 CEAERO O[C@@H]1c2ccccc2OC[C@H]1[NH+]1Cc2ccccc2C1 ZINC000050912089 527680393 /nfs/dbraw/zinc/68/03/93/527680393.db2.gz IFCFEQWAZLKUFI-NVXWUHKLSA-N 1 0 267.328 2.497 10 0 CEAERO CCC1(CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000178161768 527733879 /nfs/dbraw/zinc/73/38/79/527733879.db2.gz NLDVCEJYULHTIT-OAHLLOKOSA-N 1 0 274.408 2.466 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1noc(C(C)C)n1 ZINC000175335230 529069492 /nfs/dbraw/zinc/06/94/92/529069492.db2.gz QLSPZHUSKLQUKD-GFCCVEGCSA-N 1 0 266.389 2.109 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nnc(C(C)C)o1 ZINC000175051116 529305825 /nfs/dbraw/zinc/30/58/25/529305825.db2.gz DZKNTUDTNDSGPI-QWHCGFSZSA-N 1 0 278.400 2.252 10 0 CEAERO CCC[NH+]1CCN(c2ccc(Cl)cc2N)CC1 ZINC000019258157 534933233 /nfs/dbraw/zinc/93/32/33/534933233.db2.gz MMDJUKIQABUFND-UHFFFAOYSA-N 1 0 253.777 2.454 10 0 CEAERO CC(C)C[NH+]1CCN(c2ccc(F)cc2C(N)=S)CC1 ZINC000111032614 535106287 /nfs/dbraw/zinc/10/62/87/535106287.db2.gz YPDGCIFYBXDORC-UHFFFAOYSA-N 1 0 295.427 2.238 10 0 CEAERO CC[NH2+]Cc1ccc(N2CCC(C(F)(F)F)CC2)nn1 ZINC000088437383 535478860 /nfs/dbraw/zinc/47/88/60/535478860.db2.gz XMALXPKFNYYRNX-UHFFFAOYSA-N 1 0 288.317 2.365 10 0 CEAERO CCCc1noc(-c2ccnc(N3CCC([NH3+])CC3)c2)n1 ZINC000070458138 535554643 /nfs/dbraw/zinc/55/46/43/535554643.db2.gz AJEWLKBHXVDAMQ-UHFFFAOYSA-N 1 0 287.367 2.012 10 0 CEAERO CCCn1ccnc(N2CCCC[C@@H]2[C@@H](C)[NH2+]CC)c1=O ZINC000111718125 535619400 /nfs/dbraw/zinc/61/94/00/535619400.db2.gz SFKREHALVOROQI-ZIAGYGMSSA-N 1 0 292.427 2.010 10 0 CEAERO CC[C@H]1CN(c2ccc(F)cc2OC)[C@H](C)C[NH2+]1 ZINC000083393322 536161057 /nfs/dbraw/zinc/16/10/57/536161057.db2.gz BDOPKQMHWQVRDN-PWSUYJOCSA-N 1 0 252.333 2.411 10 0 CEAERO COC(=O)[C@H](C)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000093036294 536643004 /nfs/dbraw/zinc/64/30/04/536643004.db2.gz ZUVUDXBQJWMYOM-CHWSQXEVSA-N 1 0 294.370 2.145 10 0 CEAERO COC(=O)c1ccc(N2CCC[C@H]([C@@H](C)[NH3+])C2)c(F)c1F ZINC000094272170 536733845 /nfs/dbraw/zinc/73/38/45/536733845.db2.gz LOASJXJGNXVELT-ZJUUUORDSA-N 1 0 298.333 2.315 10 0 CEAERO COc1cccc2c1N(C(=O)[C@@H](C[NH3+])C(C)C)CCC2 ZINC000087528461 536958839 /nfs/dbraw/zinc/95/88/39/536958839.db2.gz AWDAXZSDSDLUKL-ZDUSSCGKSA-N 1 0 276.380 2.205 10 0 CEAERO C[C@@H]1C[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190661416 538759506 /nfs/dbraw/zinc/75/95/06/538759506.db2.gz ZZSRNAAEZFNZQR-BMFZPTHFSA-N 1 0 287.407 2.018 10 0 CEAERO [NH3+][C@@H]1C[C@@H](C(F)(F)F)S(=O)(=O)c2ccc(Cl)cc21 ZINC000675059432 570365339 /nfs/dbraw/zinc/36/53/39/570365339.db2.gz ILTJYJXTBFTPLV-APPZFPTMSA-N 1 0 299.701 2.448 10 0 CEAERO Cc1occc1[C@@H]1C[NH2+]C[C@@H]1C(=O)OC(C)(C)C ZINC000757185734 574511666 /nfs/dbraw/zinc/51/16/66/574511666.db2.gz ABPIMMCXFSLHAP-RYUDHWBXSA-N 1 0 251.326 2.233 10 0 CEAERO FC(F)(F)[C@@H]1CCC[C@]2(C1)[NH2+]CC1(COC1)CO2 ZINC000757145902 574510380 /nfs/dbraw/zinc/51/03/80/574510380.db2.gz QSFQFOKJMIQIKN-KOLCDFICSA-N 1 0 265.275 2.072 10 0 CEAERO [NH3+]C[C@@H]1CCN1Cc1cccc(F)c1Br ZINC000757154818 574511158 /nfs/dbraw/zinc/51/11/58/574511158.db2.gz BNIUPTJBRXXWBO-VIFPVBQESA-N 1 0 273.149 2.121 10 0 CEAERO CC(C)CNC(=O)N1[C@@H](CC[NH3+])CCC[C@H]1C(F)(F)F ZINC000675073842 574511286 /nfs/dbraw/zinc/51/12/86/574511286.db2.gz UTGRQUAVEXHFFL-MNOVXSKESA-N 1 0 295.349 2.486 10 0 CEAERO CC(C)[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000107323284 567850284 /nfs/dbraw/zinc/85/02/84/567850284.db2.gz RHTWRGVOWBRTET-LLVKDONJSA-N 1 0 274.286 2.305 10 0 CEAERO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H]2CCC[C@@]34C[C@@H](CO3)[C@@H]24)C1 ZINC000725272060 567924979 /nfs/dbraw/zinc/92/49/79/567924979.db2.gz YOJVJTBIOOUEDB-MDLJMBGESA-N 1 0 293.407 2.219 10 0 CEAERO Cc1cn2c([nH+]1)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C2 ZINC000236045182 570236760 /nfs/dbraw/zinc/23/67/60/570236760.db2.gz PGKPQHATEHQWES-VXGBXAGGSA-N 1 0 292.383 2.243 10 0 CEAERO CCOC(=O)C1=C(O)CCC[N@H+](Cc2ccccc2)CC1 ZINC000299805262 570330249 /nfs/dbraw/zinc/33/02/49/570330249.db2.gz GLLKNHGGZDESFR-HNNXBMFYSA-N 1 0 289.375 2.421 10 0 CEAERO C[C@@H]1CN(C(=O)C23CC4CC(CC(C4)C2)C3)C[C@@H]1[NH3+] ZINC000235452340 625569311 /nfs/dbraw/zinc/56/93/11/625569311.db2.gz YIJAGUCJUDEPKF-JNRDSBMFSA-N 1 0 262.397 2.008 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1cccc2ccccc21 ZINC000261573551 623382041 /nfs/dbraw/zinc/38/20/41/623382041.db2.gz ATWLNMQZUKTRAV-XHDPSFHLSA-N 1 0 254.333 2.402 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(Cc3nc4ccccc4s3)C[C@@H]12 ZINC000261670013 623427472 /nfs/dbraw/zinc/42/74/72/623427472.db2.gz ZZINYJUPGGCXQX-IJLUTSLNSA-N 1 0 273.405 2.465 10 0 CEAERO C/C=C\CC(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000096843458 623648583 /nfs/dbraw/zinc/64/85/83/623648583.db2.gz VOMAZQYWWIIRIT-ZRUQZJFASA-N 1 0 252.402 2.437 10 0 CEAERO Cc1c(Br)cccc1C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000235655079 625694087 /nfs/dbraw/zinc/69/40/87/625694087.db2.gz AGKXEMFIALFLTR-UFBFGSQYSA-N 1 0 297.196 2.177 10 0 CEAERO CC[C@H](NS(=O)(=O)CC1CC[NH2+]CC1)c1ccccc1 ZINC000051629350 624473474 /nfs/dbraw/zinc/47/34/74/624473474.db2.gz DICFLZINVBSROE-HNNXBMFYSA-N 1 0 296.436 2.057 10 0 CEAERO C[NH2+]CCc1noc(-c2ccc(Cl)cc2F)n1 ZINC000051850724 624622608 /nfs/dbraw/zinc/62/26/08/624622608.db2.gz XGLMSXJYICBRGY-UHFFFAOYSA-N 1 0 255.680 2.291 10 0 CEAERO CC(=O)[C@@H]1CCC[N@H+](CCc2scnc2C)C1 ZINC000111689958 624949154 /nfs/dbraw/zinc/94/91/54/624949154.db2.gz CFBHAYAUBLVDRL-GFCCVEGCSA-N 1 0 252.383 2.295 10 0 CEAERO Cc1ccnc(N2CC[C@@H](CC[NH3+])C2)c1Br ZINC000235926302 625794853 /nfs/dbraw/zinc/79/48/53/625794853.db2.gz LEYVWEUPYQFYAX-SNVBAGLBSA-N 1 0 284.201 2.328 10 0 CEAERO O[C@H](CN1CC[N@@H+]2CCCC[C@@H]2C1)c1ccc(F)c(F)c1 ZINC000177757290 625871307 /nfs/dbraw/zinc/87/13/07/625871307.db2.gz BZVHCZAIKPWAKG-CZUORRHYSA-N 1 0 296.361 2.168 10 0 CEAERO [NH3+][C@H]1CCCN(C(=O)c2ccc(Cl)c(F)c2)C1 ZINC000236326760 625925337 /nfs/dbraw/zinc/92/53/37/625925337.db2.gz BCHQESXWCNTQCK-VIFPVBQESA-N 1 0 256.708 2.042 10 0 CEAERO O=C(C[NH2+]CCc1ccccc1)NC1CCCCC1 ZINC000020050789 627934703 /nfs/dbraw/zinc/93/47/03/627934703.db2.gz SGNYXHQYYPHGEB-UHFFFAOYSA-N 1 0 260.381 2.268 10 0 CEAERO C[C@H](C[NH2+][C@@H]1CCCOC1)N(C)C(=O)OC(C)(C)C ZINC000309876422 628080098 /nfs/dbraw/zinc/08/00/98/628080098.db2.gz WCOPSDADLMLMRO-VXGBXAGGSA-N 1 0 272.389 2.010 10 0 CEAERO C[NH2+]C1(C(=O)N[C@H](C)c2cc(C)ccc2OC)CCC1 ZINC000312505964 628287476 /nfs/dbraw/zinc/28/74/76/628287476.db2.gz FTYHYKOWACSPTE-GFCCVEGCSA-N 1 0 276.380 2.323 10 0 CEAERO CCOCCCN1C[C@H]2CCCC[N@@H+]2C[C@H]1CC ZINC000094433021 628714868 /nfs/dbraw/zinc/71/48/68/628714868.db2.gz YMPANZZEQSGVSX-HUUCEWRRSA-N 1 0 254.418 2.362 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1c1nc(-c2ccc(F)cn2)no1 ZINC000094044397 628749881 /nfs/dbraw/zinc/74/98/81/628749881.db2.gz BRYUINQQAVUPIJ-SCZZXKLOSA-N 1 0 262.288 2.113 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCC(C(F)(F)F)CC1 ZINC000094648672 628870450 /nfs/dbraw/zinc/87/04/50/628870450.db2.gz ZXDOLXUCVTXRGI-ONGXEEELSA-N 1 0 278.318 2.175 10 0 CEAERO [NH3+]C1(CNc2cncc(Br)c2)CCC1 ZINC000261527476 628921593 /nfs/dbraw/zinc/92/15/93/628921593.db2.gz BQTTWRJLRKPQLB-UHFFFAOYSA-N 1 0 256.147 2.137 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1Cc1cc(Cl)cc2c1OCC2 ZINC000261558288 628938001 /nfs/dbraw/zinc/93/80/01/628938001.db2.gz DERMOKKAGOIAAP-RNCFNFMXSA-N 1 0 266.772 2.196 10 0 CEAERO C[NH2+][C@@H](C)CNc1ncnc2sc(C)c(C)c21 ZINC000261560513 628938979 /nfs/dbraw/zinc/93/89/79/628938979.db2.gz USKRAEZTUWVTCQ-ZETCQYMHSA-N 1 0 250.371 2.328 10 0 CEAERO CCc1cc2c(ncnc2NC[C@@H](C)[NH2+]C)s1 ZINC000261564661 628939178 /nfs/dbraw/zinc/93/91/78/628939178.db2.gz XVTHEYBEIGOJEF-MRVPVSSYSA-N 1 0 250.371 2.274 10 0 CEAERO C[C@H]1CN(C(=O)[C@H]([NH3+])CC2CCCCC2)CCS1 ZINC000261577432 628941164 /nfs/dbraw/zinc/94/11/64/628941164.db2.gz OISPQALFYFUJBN-WCQYABFASA-N 1 0 270.442 2.248 10 0 CEAERO FC(F)(F)c1ccc(N2CC[C@H]3[NH2+]CC[C@H]3C2)nc1 ZINC000261580491 628941424 /nfs/dbraw/zinc/94/14/24/628941424.db2.gz FKOHQYFFALAYJI-GXSJLCMTSA-N 1 0 271.286 2.289 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1Cc1coc(-c2ccccc2)n1 ZINC000261600721 628943936 /nfs/dbraw/zinc/94/39/36/628943936.db2.gz PXNPQLJVLMEMMH-RISCZKNCSA-N 1 0 257.337 2.263 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)c1cc(C)c(F)cc1Cl ZINC000261715448 629146668 /nfs/dbraw/zinc/14/66/68/629146668.db2.gz KJVCJMJRBGXROL-QMMMGPOBSA-N 1 0 258.724 2.125 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)c1occc1COc1ccccc1 ZINC000261731910 629165136 /nfs/dbraw/zinc/16/51/36/629165136.db2.gz LPNCYBWOPOGFEQ-LBPRGKRZSA-N 1 0 288.347 2.196 10 0 CEAERO CCC(C)(C)c1ccc(S(=O)(=O)NC[C@@H](C)[NH2+]C)cc1 ZINC000261738502 629171014 /nfs/dbraw/zinc/17/10/14/629171014.db2.gz MGBWMDBKDHDAQX-GFCCVEGCSA-N 1 0 298.452 2.260 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCc2ccc(F)cc2C1 ZINC000237054414 629180495 /nfs/dbraw/zinc/18/04/95/629180495.db2.gz PSPGUPABZWYGAX-IINYFYTJSA-N 1 0 264.344 2.084 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)CCc1cc(Cl)cs1 ZINC000261830198 629262235 /nfs/dbraw/zinc/26/22/35/629262235.db2.gz VIAIKJRHEZWCCC-MRVPVSSYSA-N 1 0 260.790 2.058 10 0 CEAERO c1ccc(COc2ccc(CN[C@@H]3CC[NH2+]C3)cc2)nc1 ZINC000262068880 629671679 /nfs/dbraw/zinc/67/16/79/629671679.db2.gz JUJDWYSCUSKNGZ-OAHLLOKOSA-N 1 0 283.375 2.112 10 0 CEAERO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)/C=C\c2ccccc2)C1 ZINC000216599427 630995861 /nfs/dbraw/zinc/99/58/61/630995861.db2.gz FPUHBOAWVBPBKX-FUXFULCISA-N 1 0 294.420 2.046 10 0 CEAERO CCC[NH2+]CCNc1ccccc1S(=O)(=O)C(F)F ZINC000054267486 631050814 /nfs/dbraw/zinc/05/08/14/631050814.db2.gz LKAGZRLGDFFTHK-UHFFFAOYSA-N 1 0 292.351 2.094 10 0 CEAERO C[NH2+]CCC(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000262554145 631124526 /nfs/dbraw/zinc/12/45/26/631124526.db2.gz PEUQUNLFSVERIW-LBPRGKRZSA-N 1 0 297.196 2.162 10 0 CEAERO CCOC(=O)CCc1nc(C2([NH3+])C[C@H](C)C[C@@H](C)C2)no1 ZINC000757184387 631830297 /nfs/dbraw/zinc/83/02/97/631830297.db2.gz WFGKRDSJKXAGFK-GHMZBOCLSA-N 1 0 295.383 2.175 10 0 CEAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(F)cc1 ZINC000757185055 631830488 /nfs/dbraw/zinc/83/04/88/631830488.db2.gz PXUGXPRANQWVEY-CHWSQXEVSA-N 1 0 265.328 2.470 10 0 CEAERO C[C@H]([NH3+])C1CCN(c2ncccc2Br)CC1 ZINC000082480698 632216245 /nfs/dbraw/zinc/21/62/45/632216245.db2.gz ALTQHGDIPWYOOW-VIFPVBQESA-N 1 0 284.201 2.408 10 0 CEAERO COC(=O)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1F ZINC000095638528 632253532 /nfs/dbraw/zinc/25/35/32/632253532.db2.gz PTAIDASGVRVGAB-VIFPVBQESA-N 1 0 265.206 2.407 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1Nc1nccc(C(F)(F)F)n1 ZINC000089092402 632291802 /nfs/dbraw/zinc/29/18/02/632291802.db2.gz GIYXLZJGPVPQDG-HTQZYQBOSA-N 1 0 260.263 2.035 10 0 CEAERO COc1ccc([C@@H](C)[NH2+]C2CCS(=O)CC2)cc1OC ZINC000042354094 633778985 /nfs/dbraw/zinc/77/89/85/633778985.db2.gz FXCYJWNNVIOHPQ-ILRZLXDOSA-N 1 0 297.420 2.266 10 0 CEAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1cccc2c1NCCC2 ZINC000163377157 635162317 /nfs/dbraw/zinc/16/23/17/635162317.db2.gz IUKAHLUUJGWRHD-UKRRQHHQSA-N 1 0 260.381 2.295 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCc2ccccc2C1 ZINC000227317019 639585931 /nfs/dbraw/zinc/58/59/31/639585931.db2.gz ZODPGWHLTGEHFV-GVDBMIGSSA-N 1 0 286.419 2.425 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+]C2CCC(O)CC2)C1 ZINC000227614533 639599508 /nfs/dbraw/zinc/59/95/08/639599508.db2.gz OUOKQCCVYBOBSE-HSBZDZAISA-N 1 0 298.427 2.137 10 0 CEAERO CC12C[C@H]3C[C@@H](C1)CC(C(=O)N[C@@H](C[NH3+])C1CC1)(C3)C2 ZINC000228379546 639633132 /nfs/dbraw/zinc/63/31/32/639633132.db2.gz MHXIOWOSNJRYJQ-AYZSHTAMSA-N 1 0 276.424 2.446 10 0 CEAERO CCOc1ccccc1C[N@H+]1C[C@H](C(=O)OC)[C@H](C)C1 ZINC000228697871 639653642 /nfs/dbraw/zinc/65/36/42/639653642.db2.gz TZNTTZATEGXSJW-OCCSQVGLSA-N 1 0 277.364 2.326 10 0 CEAERO CCOCc1nc(Cl)cc(N2C[C@H]([NH+](C)C)[C@@H](C)C2)n1 ZINC000229739950 639717695 /nfs/dbraw/zinc/71/76/95/639717695.db2.gz BHFSDIFRESBBJO-QWRGUYRKSA-N 1 0 298.818 2.053 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+][C@@H]2CCCOC2)C1 ZINC000230393699 639756807 /nfs/dbraw/zinc/75/68/07/639756807.db2.gz ROLDCDXVMBMXRF-CHWSQXEVSA-N 1 0 284.400 2.012 10 0 CEAERO C[C@H]1[C@H]([NH2+]Cc2cnc[nH]2)CCCN1C(=O)OC(C)(C)C ZINC000230943676 639807046 /nfs/dbraw/zinc/80/70/46/639807046.db2.gz SKJJRYQRXJSVTF-WCQYABFASA-N 1 0 294.399 2.287 10 0 CEAERO C[C@H](C[NH3+])c1noc(-c2cc(F)c(F)c(F)c2)n1 ZINC000063008643 639818924 /nfs/dbraw/zinc/81/89/24/639818924.db2.gz LSHHAYSRQXSBPC-RXMQYKEDSA-N 1 0 257.215 2.216 10 0 CEAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1cnc(Cl)cn1 ZINC000231283168 639844610 /nfs/dbraw/zinc/84/46/10/639844610.db2.gz DLJJFKLINLNPPJ-DGCLKSJQSA-N 1 0 280.803 2.189 10 0 CEAERO Cc1cnc([C@H](C)NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)o1 ZINC000231743566 639876067 /nfs/dbraw/zinc/87/60/67/639876067.db2.gz LUVXJJZFQWSGKT-CYDGBPFRSA-N 1 0 277.368 2.081 10 0 CEAERO CC(C)Oc1cc(N[C@H](C[NH3+])C2CCCC2)ncn1 ZINC000232675348 639958072 /nfs/dbraw/zinc/95/80/72/639958072.db2.gz YZGCTEYJEIVEBS-GFCCVEGCSA-N 1 0 264.373 2.193 10 0 CEAERO COCC1(c2noc([C@H]3CCC[C@@H]3C[NH3+])n2)CCCC1 ZINC000312929163 640168394 /nfs/dbraw/zinc/16/83/94/640168394.db2.gz NKVGDKBKIGNASF-NEPJUHHUSA-N 1 0 279.384 2.370 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@@H]1C(=O)NCc1ccsc1 ZINC000089399249 640390743 /nfs/dbraw/zinc/39/07/43/640390743.db2.gz OYPJZTDHKAMCJI-NEPJUHHUSA-N 1 0 252.383 2.129 10 0 CEAERO COc1c(C)cnc(C[NH2+]C[C@@H](O)C(C)(C)C)c1C ZINC000324433887 640574616 /nfs/dbraw/zinc/57/46/16/640574616.db2.gz CBMIVPVQYMCMCT-CYBMUJFWSA-N 1 0 266.385 2.204 10 0 CEAERO CCc1ccc(C(=O)N2CC[C@H]([NH+](C)C)C2)s1 ZINC000170858220 641371244 /nfs/dbraw/zinc/37/12/44/641371244.db2.gz JDTJKMSNTPPFLY-JTQLQIEISA-N 1 0 252.383 2.087 10 0 CEAERO Cc1ccc(CCCC(=O)N2CCC[C@@H]2C[NH3+])s1 ZINC000237691824 641371558 /nfs/dbraw/zinc/37/15/58/641371558.db2.gz VXXWRFATGDHZKI-GFCCVEGCSA-N 1 0 266.410 2.329 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)CCCOc1ccccc1F ZINC000237812292 641385880 /nfs/dbraw/zinc/38/58/80/641385880.db2.gz LIIFMEHUGXYTBR-TZMCWYRMSA-N 1 0 294.370 2.228 10 0 CEAERO [NH3+]CC[C@@H]1CCCN(c2ccc(Br)cn2)C1 ZINC000070073916 641627584 /nfs/dbraw/zinc/62/75/84/641627584.db2.gz NSXPMUDKLDNCHX-JTQLQIEISA-N 1 0 284.201 2.409 10 0 CEAERO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)/C=C/c2ccccc2)C1 ZINC000070173657 641642150 /nfs/dbraw/zinc/64/21/50/641642150.db2.gz FPUHBOAWVBPBKX-ODLGNMLASA-N 1 0 294.420 2.046 10 0 CEAERO O[C@H](C[NH2+][C@@H]1COc2ccccc21)c1ccccc1 ZINC000070529587 641678598 /nfs/dbraw/zinc/67/85/98/641678598.db2.gz OGVIDILTOUJIJW-HUUCEWRRSA-N 1 0 255.317 2.443 10 0 CEAERO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)/C=C/c1ccccc1 ZINC000071330545 641748451 /nfs/dbraw/zinc/74/84/51/641748451.db2.gz IUDZHGICXOWMMJ-RZXPCSSPSA-N 1 0 294.420 2.061 10 0 CEAERO COc1ccccc1C(=O)O[C@H](C)C[NH+]1CCCC1 ZINC000006201950 641835020 /nfs/dbraw/zinc/83/50/20/641835020.db2.gz HYKGYUYXHQLSES-GFCCVEGCSA-N 1 0 263.337 2.336 10 0 CEAERO Cc1c(Cl)nnc(N2C[C@@H](C)[C@H]([NH+](C)C)C2)c1C ZINC000124733371 642297112 /nfs/dbraw/zinc/29/71/12/642297112.db2.gz ZPPKYGZMLYUWLC-LDYMZIIASA-N 1 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CJYBHFTXLRAOAR-UHFFFAOYSA-N 1 0 270.417 2.217 10 0 CEAERO CCOC(=O)c1ccc(NC[C@@]2(C)CCC[NH2+]C2)nc1 ZINC000129382141 651936017 /nfs/dbraw/zinc/93/60/17/651936017.db2.gz AIDWOFMRLOOHIG-HNNXBMFYSA-N 1 0 277.368 2.060 10 0 CEAERO Cc1cc(Br)cc(C(=O)NC[C@@H]2CC[NH2+]C2)c1 ZINC000131493364 652430974 /nfs/dbraw/zinc/43/09/74/652430974.db2.gz DACVLKPOHBTSTB-SNVBAGLBSA-N 1 0 297.196 2.097 10 0 CEAERO CO[C@@H](c1noc(C[C@@H](C[NH3+])CC(C)C)n1)C1CC1 ZINC000132658638 652543332 /nfs/dbraw/zinc/54/33/32/652543332.db2.gz IEYVJOMWLKJIAO-GXFFZTMASA-N 1 0 267.373 2.331 10 0 CEAERO CCCCOCCC[NH2+]Cc1c(C)nn(C)c1OC ZINC000134083096 652769886 /nfs/dbraw/zinc/76/98/86/652769886.db2.gz DSNYVFAHUYOCLQ-UHFFFAOYSA-N 1 0 269.389 2.034 10 0 CEAERO CC[NH2+]CCNc1ccnc2cc(Br)cnc21 ZINC000135528884 652971820 /nfs/dbraw/zinc/97/18/20/652971820.db2.gz IHZDBRWTPQXWFA-UHFFFAOYSA-N 1 0 295.184 2.414 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N1CCCCC1 ZINC000135581360 652973462 /nfs/dbraw/zinc/97/34/62/652973462.db2.gz IYHKMKAOGMLZAU-ZDUSSCGKSA-N 1 0 253.390 2.008 10 0 CEAERO CSc1nc(Cl)cc(N2CCC[C@H]([NH+](C)C)C2)n1 ZINC000130879758 721885607 /nfs/dbraw/zinc/88/56/07/721885607.db2.gz JWVIGDJOLIYFES-VIFPVBQESA-N 1 0 286.832 2.382 10 0 CEAERO C[NH2+][C@H]1CCCC[C@H]1S(=O)(=O)Cc1ccccc1C ZINC000081984648 177912490 /nfs/dbraw/zinc/91/24/90/177912490.db2.gz OVPYRNIQNIIBIY-LSDHHAIUSA-N 1 0 281.421 2.440 10 0 CEAERO Cc1cccc(S(=O)(=O)[C@@H]2Cc3ccccc3[C@@H]2[NH3+])c1 ZINC000081986547 177913171 /nfs/dbraw/zinc/91/31/71/177913171.db2.gz WVLHDMUIGPIMNF-CVEARBPZSA-N 1 0 287.384 2.393 10 0 CEAERO CC[NH2+][C@H]1CCCC[C@@H]1S(=O)(=O)C1CCCC1 ZINC000081988711 177914537 /nfs/dbraw/zinc/91/45/37/177914537.db2.gz WCEWEVFGQJIXRL-STQMWFEESA-N 1 0 259.415 2.265 10 0 CEAERO CCCc1ccc([C@H]([NH3+])CCN2CCOCC2)cc1 ZINC000082296897 177950990 /nfs/dbraw/zinc/95/09/90/177950990.db2.gz GGKYBPQNTKMUIG-MRXNPFEDSA-N 1 0 262.397 2.361 10 0 CEAERO [NH3+]Cc1cc(I)cc(OC2CC2)c1 ZINC000095737728 185023813 /nfs/dbraw/zinc/02/38/13/185023813.db2.gz AGYQMQMUUVSLFC-UHFFFAOYSA-N 1 0 289.116 2.291 10 0 CEAERO CC(C)(C)OC(=O)N1CC[NH2+][C@H](Cc2cccs2)C1 ZINC000095752775 185025199 /nfs/dbraw/zinc/02/51/99/185025199.db2.gz RKILWTDCSGLNHD-LLVKDONJSA-N 1 0 282.409 2.500 10 0 CEAERO FC1(F)CCC[C@@H]1C[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000336265860 365540616 /nfs/dbraw/zinc/54/06/16/365540616.db2.gz ZLKAVAOTLWUUKL-OLZOCXBDSA-N 1 0 275.339 2.303 10 0 CEAERO CC(C)(C)OC(=O)[C@@H](N)Cc1cc(F)cnc1Cl ZINC000095929178 185031849 /nfs/dbraw/zinc/03/18/49/185031849.db2.gz RYPVDZZPQGTMGW-VIFPVBQESA-N 1 0 274.723 2.086 10 0 CEAERO CCCNC(=O)C[NH2+]Cc1c(C)oc2ccccc21 ZINC000121253649 365542397 /nfs/dbraw/zinc/54/23/97/365542397.db2.gz HWWLJWVCXRGZQS-UHFFFAOYSA-N 1 0 260.337 2.357 10 0 CEAERO CC(C)C[C@H](C[NH3+])Nc1ncc(Br)cn1 ZINC000082663592 178152364 /nfs/dbraw/zinc/15/23/64/178152364.db2.gz BWNLQNJDPJCWAK-SECBINFHSA-N 1 0 273.178 2.024 10 0 CEAERO [NH3+]CC1(NS(=O)(=O)Cc2ccccc2)CCCCCC1 ZINC000034940840 361798852 /nfs/dbraw/zinc/79/88/52/361798852.db2.gz GOLSDPNJUUMTLL-UHFFFAOYSA-N 1 0 296.436 2.158 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1[S@](=O)c1ccc(Br)cc1 ZINC000082747106 178268948 /nfs/dbraw/zinc/26/89/48/178268948.db2.gz MZKUEBMSZRJCAK-RWSFTLGLSA-N 1 0 288.210 2.437 10 0 CEAERO [NH3+]CCc1nc(-c2cc(Cl)cc(Cl)c2)n[nH]1 ZINC000082752576 178274747 /nfs/dbraw/zinc/27/47/47/178274747.db2.gz YPPVQMWLKDSWGQ-UHFFFAOYSA-N 1 0 257.124 2.280 10 0 CEAERO ClC(Cl)(Cl)c1n[nH]c([C@H]2CCC[NH2+]2)n1 ZINC000082752661 178275402 /nfs/dbraw/zinc/27/54/02/178275402.db2.gz VCUBTSWPRIWNLY-SCSAIBSYSA-N 1 0 255.536 2.056 10 0 CEAERO CC(C)[N@@H+]1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC000096065832 185084180 /nfs/dbraw/zinc/08/41/80/185084180.db2.gz WTEHWVSCWPVYMT-ARFHVFGLSA-N 1 0 276.380 2.238 10 0 CEAERO C[NH2+][C@@](C)(C[C@H](C)Sc1cccs1)C(N)=O ZINC000082797654 178301154 /nfs/dbraw/zinc/30/11/54/178301154.db2.gz MCYJHPBGMLKWIS-KWQFWETISA-N 1 0 258.412 2.082 10 0 CEAERO [NH3+][C@@H](CCO)CSc1cccc(Br)c1 ZINC000082988993 178332284 /nfs/dbraw/zinc/33/22/84/178332284.db2.gz ZAKLCEWLAGLDLR-VIFPVBQESA-N 1 0 276.199 2.251 10 0 CEAERO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1cccs1)C1CC1 ZINC000036031645 361825358 /nfs/dbraw/zinc/82/53/58/361825358.db2.gz SURNVZBQPLDYPC-ZDUSSCGKSA-N 1 0 297.420 2.417 10 0 CEAERO [NH3+]C[C@@H](O)CCSc1nc2ccccc2s1 ZINC000082917551 178329481 /nfs/dbraw/zinc/32/94/81/178329481.db2.gz UGKHGCNVUPGGNM-QMMMGPOBSA-N 1 0 254.380 2.098 10 0 CEAERO C[C@]([NH3+])(CO)CCSc1ncccc1Br ZINC000082905361 178329617 /nfs/dbraw/zinc/32/96/17/178329617.db2.gz VMMDOPMCPDSZHO-SNVBAGLBSA-N 1 0 291.214 2.036 10 0 CEAERO O=C(CN1CC[NH2+]CC1)c1cc2cc(Cl)ccc2o1 ZINC000083228704 178362081 /nfs/dbraw/zinc/36/20/81/178362081.db2.gz WWUDTAAVRYEDGH-UHFFFAOYSA-N 1 0 278.739 2.174 10 0 CEAERO Cc1ccc(C)c([S@@](=O)CC2CC[NH2+]CC2)c1 ZINC000083308286 178380362 /nfs/dbraw/zinc/38/03/62/178380362.db2.gz MFFDNRCONGPPOB-QGZVFWFLSA-N 1 0 251.395 2.411 10 0 CEAERO OC[C@@H](c1ccccc1)N1CCCC[C@@]12CCC[NH2+]C2 ZINC000083301228 178380457 /nfs/dbraw/zinc/38/04/57/178380457.db2.gz HMEPRNJLXKLLQK-IRXDYDNUSA-N 1 0 274.408 2.328 10 0 CEAERO O[C@H]1CCCC[C@H]1[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000096630388 185107751 /nfs/dbraw/zinc/10/77/51/185107751.db2.gz LQTHIUIDSGELAH-OLZOCXBDSA-N 1 0 279.771 2.381 10 0 CEAERO Cc1cccc(C)c1CCNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000125347477 187180886 /nfs/dbraw/zinc/18/08/86/187180886.db2.gz SSYFHKFIMYPFOT-OAHLLOKOSA-N 1 0 289.423 2.191 10 0 CEAERO COC(=O)[C@@](C)(N)C[C@@H](C)[N@H+](CCC(C)C)C1CC1 ZINC000096818566 185115473 /nfs/dbraw/zinc/11/54/73/185115473.db2.gz IDEPSBGUHKDBEJ-DOMZBBRYSA-N 1 0 270.417 2.166 10 0 CEAERO CC[C@H](O)C[N@H+](CCCOC)Cc1cccc(OC)c1 ZINC000036100195 361828163 /nfs/dbraw/zinc/82/81/63/361828163.db2.gz WAZSSMASUBJIOP-HNNXBMFYSA-N 1 0 281.396 2.305 10 0 CEAERO CCS(=O)(=O)c1ccc([C@@H](CC[NH3+])C2CC2)cc1 ZINC000096890986 185124734 /nfs/dbraw/zinc/12/47/34/185124734.db2.gz NGYNFGBKJVPCSS-AWEZNQCLSA-N 1 0 267.394 2.323 10 0 CEAERO CC(=O)Nc1sc2c(c1Br)CC[NH2+]C2 ZINC000036382634 361843956 /nfs/dbraw/zinc/84/39/56/361843956.db2.gz CVPWRXHFHNMPOF-UHFFFAOYSA-N 1 0 275.171 2.115 10 0 CEAERO [NH3+]Cc1sc(Br)nc1Br ZINC000096944703 185134737 /nfs/dbraw/zinc/13/47/37/185134737.db2.gz XSWQDPYQKLZBTM-UHFFFAOYSA-N 1 0 271.965 2.127 10 0 CEAERO [NH3+]C[C@@H](c1ccc2c(c1)OCCCO2)N1CCCCC1 ZINC000037675141 361921232 /nfs/dbraw/zinc/92/12/32/361921232.db2.gz ZTZWOYXQTOHXLS-AWEZNQCLSA-N 1 0 276.380 2.334 10 0 CEAERO Clc1ccccc1-n1cncc1[C@@H]1C[NH2+]CCO1 ZINC000097011041 185152056 /nfs/dbraw/zinc/15/20/56/185152056.db2.gz YFYQGKMCIUZHRT-ZDUSSCGKSA-N 1 0 263.728 2.187 10 0 CEAERO CC(C)C[NH2+]C[C@H](O)CO[C@H](C)c1ccccc1 ZINC000037852113 361955684 /nfs/dbraw/zinc/95/56/84/361955684.db2.gz JAPUDWDLLBJQGJ-HIFRSBDPSA-N 1 0 251.370 2.371 10 0 CEAERO CC[C@H](CO)[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000037888073 361959705 /nfs/dbraw/zinc/95/97/05/361959705.db2.gz AHTUSAHGFJVAEC-CVEARBPZSA-N 1 0 259.349 2.234 10 0 CEAERO COc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2O)cc1OC ZINC000037891680 361959737 /nfs/dbraw/zinc/95/97/37/361959737.db2.gz GHZQKJYAWXTJEB-KGLIPLIRSA-N 1 0 279.380 2.487 10 0 CEAERO COCCC[NH2+]Cc1cc2cccc3c2n(c1=O)CCC3 ZINC000039287222 361987764 /nfs/dbraw/zinc/98/77/64/361987764.db2.gz KSFJMZWRXQMLID-UHFFFAOYSA-N 1 0 286.375 2.074 10 0 CEAERO C[NH2+]C[C@H]1CCCN(c2ncnc3sccc32)C1 ZINC000040601928 361995808 /nfs/dbraw/zinc/99/58/08/361995808.db2.gz QIBUGNYDWCHKTD-SNVBAGLBSA-N 1 0 262.382 2.127 10 0 CEAERO CCO[C@@H]1C[C@@H]([N@H+](C)CCCNC(C)=O)C12CCCC2 ZINC000125644052 187194218 /nfs/dbraw/zinc/19/42/18/187194218.db2.gz WPSGVAPQSBCCOQ-HUUCEWRRSA-N 1 0 282.428 2.182 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1cscc1C(F)(F)F ZINC000621657063 349652710 /nfs/dbraw/zinc/65/27/10/349652710.db2.gz BFRGZNOTVZFFIL-MUWHJKNJSA-N 1 0 278.299 2.329 10 0 CEAERO CCCCc1cc(NC(=O)[C@H](CCC)[NH+](C)C)n[nH]1 ZINC000125822778 187201217 /nfs/dbraw/zinc/20/12/17/187201217.db2.gz UZLDVQQAGIJADR-LBPRGKRZSA-N 1 0 266.389 2.421 10 0 CEAERO CCCNC(=O)NC[C@H]([NH3+])C1CCC(C(C)C)CC1 ZINC000725255102 539201034 /nfs/dbraw/zinc/20/10/34/539201034.db2.gz SBSPAVCUJMXBQU-RUXDESIVSA-N 1 0 269.433 2.485 10 0 CEAERO O=C(N[C@@H]1CCC[NH2+]C[C@@H]1F)OCc1ccccc1 ZINC000725262007 539209885 /nfs/dbraw/zinc/20/98/85/539209885.db2.gz QPJQHXOAZRHVCN-QWHCGFSZSA-N 1 0 266.316 2.003 10 0 CEAERO O=C(N[C@@H]1CCC[NH2+]C[C@H]1F)OCc1ccccc1 ZINC000725262005 539209957 /nfs/dbraw/zinc/20/99/57/539209957.db2.gz QPJQHXOAZRHVCN-CHWSQXEVSA-N 1 0 266.316 2.003 10 0 CEAERO CC(C)[C@H](C)C(=O)N[C@@H]1CC[NH2+]CC[C@H]1C(F)(F)F ZINC000725262586 539210919 /nfs/dbraw/zinc/21/09/19/539210919.db2.gz HVYLQNXQANDGBH-HBNTYKKESA-N 1 0 280.334 2.325 10 0 CEAERO CC(C)(C)NC(=O)N[C@@H]1CCCC12CC[NH2+]CC2 ZINC000725263928 539212363 /nfs/dbraw/zinc/21/23/63/539212363.db2.gz CDDJJCWLCWVHEY-LLVKDONJSA-N 1 0 253.390 2.006 10 0 CEAERO CC(C)n1ccnc1C[NH2+][C@H]1CCCC[C@@H]1CO ZINC000124994426 539212714 /nfs/dbraw/zinc/21/27/14/539212714.db2.gz CIJUTSYOOMHNNG-OLZOCXBDSA-N 1 0 251.374 2.105 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)CC2([NH3+])CC2)cc1F ZINC000398033428 539253247 /nfs/dbraw/zinc/25/32/47/539253247.db2.gz LIFZGTAEOMIPBB-SNVBAGLBSA-N 1 0 250.317 2.193 10 0 CEAERO CCC(CC)NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247297184 282205963 /nfs/dbraw/zinc/20/59/63/282205963.db2.gz LEMOMVKQECIOHT-DGCLKSJQSA-N 1 0 255.406 2.203 10 0 CEAERO CC[C@@H]1C[N@@H+](C[C@@H]2CCC[C@H](O)C2)C[C@H](CC)O1 ZINC000398581313 539262397 /nfs/dbraw/zinc/26/23/97/539262397.db2.gz MDPLZTPFSJDVLN-BARDWOONSA-N 1 0 255.402 2.427 10 0 CEAERO CCc1ncc(C[NH2+][C@@H]2CCCC[C@@H]2CO)s1 ZINC000084045703 539282231 /nfs/dbraw/zinc/28/22/31/539282231.db2.gz CQHOFMYLOXLEJB-ZYHUDNBSSA-N 1 0 254.399 2.346 10 0 CEAERO Cc1nc2ccccc2nc1NCCC1(C[NH3+])CC1 ZINC000395866089 539293325 /nfs/dbraw/zinc/29/33/25/539293325.db2.gz WTVQFEQSWVUOFH-UHFFFAOYSA-N 1 0 256.353 2.479 10 0 CEAERO C[C@H]([NH3+])[C@H](c1cccc(Br)c1)N(C)C ZINC000043020103 362133444 /nfs/dbraw/zinc/13/34/44/362133444.db2.gz CHCRBTGMIAWACB-GZMMTYOYSA-N 1 0 257.175 2.399 10 0 CEAERO [NH3+]C[C@H](c1ccc(Br)s1)n1cccn1 ZINC000043263189 362141238 /nfs/dbraw/zinc/14/12/38/362141238.db2.gz UMKXMXRRLMLHMA-SSDOTTSWSA-N 1 0 272.171 2.255 10 0 CEAERO [NH3+]C[C@H](c1cc(Br)cs1)n1ccnc1 ZINC000043287865 362142273 /nfs/dbraw/zinc/14/22/73/362142273.db2.gz GZLIZTSQEBIQJL-MRVPVSSYSA-N 1 0 272.171 2.255 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc2ccccc2[nH]1 ZINC000126699276 187257314 /nfs/dbraw/zinc/25/73/14/187257314.db2.gz NRIRJXGHYRTLJF-CHWSQXEVSA-N 1 0 270.380 2.231 10 0 CEAERO COc1cc(C[C@H](C)[NH3+])c(OC)cc1CCSC ZINC000034875788 343420451 /nfs/dbraw/zinc/42/04/51/343420451.db2.gz MDLPCKNFDCESEM-JTQLQIEISA-N 1 0 269.410 2.499 10 0 CEAERO O[C@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cccn3)cc2)C1 ZINC000037321377 343426633 /nfs/dbraw/zinc/42/66/33/343426633.db2.gz WZNDOYFDGCSLPK-HOCLYGCPSA-N 1 0 271.364 2.265 10 0 CEAERO C[C@H](NC(=O)C[NH2+]C1CC1)c1ccc2c(c1)CCCC2 ZINC000037390267 343427234 /nfs/dbraw/zinc/42/72/34/343427234.db2.gz ONVINTDQIKVWAK-LBPRGKRZSA-N 1 0 272.392 2.495 10 0 CEAERO Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CN(C(C)C)C[C@H]1C ZINC000246005740 539314677 /nfs/dbraw/zinc/31/46/77/539314677.db2.gz SJNXUYAFNNGXTQ-UHIISALHSA-N 1 0 250.390 2.097 10 0 CEAERO CC(C)[NH2+]CCC(=O)N[C@@H]1CCOc2ccccc21 ZINC000037618754 343429995 /nfs/dbraw/zinc/42/99/95/343429995.db2.gz RXKXTPNKLXPRFQ-CYBMUJFWSA-N 1 0 262.353 2.015 10 0 CEAERO COc1ccc(NC(=O)C2CCC([NH3+])CC2)c(OC)c1 ZINC000037622796 343430053 /nfs/dbraw/zinc/43/00/53/343430053.db2.gz HYGPUIKWLZOQEY-UHFFFAOYSA-N 1 0 278.352 2.160 10 0 CEAERO Cc1noc(C)c1CC[N@@H+]1CCC[C@H]1CCCO ZINC000336703886 365769666 /nfs/dbraw/zinc/76/96/66/365769666.db2.gz IQJMHAVUDARCMZ-ZDUSSCGKSA-N 1 0 252.358 2.071 10 0 CEAERO Cc1ccc(OCCN(C)C(=O)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000054307749 343587301 /nfs/dbraw/zinc/58/73/01/343587301.db2.gz HUEMTRJTUILWHF-HNNXBMFYSA-N 1 0 290.407 2.222 10 0 CEAERO CC(C)N(CC(F)F)C[C@H](O)COC(C)(C)C ZINC000128085880 365774627 /nfs/dbraw/zinc/77/46/27/365774627.db2.gz MBEFUZJEQFCKAT-JTQLQIEISA-N 1 0 253.333 2.138 10 0 CEAERO CC[C@@]1(C)COCC[N@@H+]1C[C@@H](O)COCc1ccccc1 ZINC000336726305 365788805 /nfs/dbraw/zinc/78/88/05/365788805.db2.gz YMMGAGPBVQXIHZ-SJORKVTESA-N 1 0 293.407 2.065 10 0 CEAERO COc1ccc(F)cc1C[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000295078718 199333965 /nfs/dbraw/zinc/33/39/65/199333965.db2.gz RRVRHXGXSJULNG-GWCFXTLKSA-N 1 0 253.317 2.180 10 0 CEAERO C[C@@H](C[NH3+])[C@@H](O)c1cc(F)ccc1Br ZINC000083563647 178581553 /nfs/dbraw/zinc/58/15/53/178581553.db2.gz LRGBYTRXCFKLLZ-QUBYGPBYSA-N 1 0 262.122 2.216 10 0 CEAERO CC[C@@H](O)[C@H](C[NH3+])c1ccccc1Br ZINC000083565031 178581601 /nfs/dbraw/zinc/58/16/01/178581601.db2.gz FQNMMLPPKYZPKB-MWLCHTKSSA-N 1 0 258.159 2.262 10 0 CEAERO CC(C)[C@@H](C)C[NH2+]C[C@H](O)COCc1ccco1 ZINC000081058590 344038412 /nfs/dbraw/zinc/03/84/12/344038412.db2.gz ASGYODYYJCURDD-STQMWFEESA-N 1 0 255.358 2.039 10 0 CEAERO COCCCNC(=O)C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000049283039 362351041 /nfs/dbraw/zinc/35/10/41/362351041.db2.gz CRURWUYFFNAKFP-VIFPVBQESA-N 1 0 290.816 2.205 10 0 CEAERO C[C@H]1CC[C@H](C(=O)NCCC[N@H+](C)C2CCCCC2)O1 ZINC000128243414 187358954 /nfs/dbraw/zinc/35/89/54/187358954.db2.gz RPPIZLCZKOQODV-DZGCQCFKSA-N 1 0 282.428 2.325 10 0 CEAERO CCOC(=O)c1ccc(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc1 ZINC000113030091 344275787 /nfs/dbraw/zinc/27/57/87/344275787.db2.gz FFRKYQXPGWEEMW-BETUJISGSA-N 1 0 276.380 2.392 10 0 CEAERO CCN1CCO[C@H](C[NH2+]Cc2cccc3cccnc32)C1 ZINC000113266766 344276355 /nfs/dbraw/zinc/27/63/55/344276355.db2.gz AYHPOFHLUCYMJI-MRXNPFEDSA-N 1 0 285.391 2.045 10 0 CEAERO Cc1cccc2nc(C[NH3+])n(-c3ccccc3)c(=O)c12 ZINC000113651647 344277582 /nfs/dbraw/zinc/27/75/82/344277582.db2.gz SWNMAIGNASUJQT-UHFFFAOYSA-N 1 0 265.316 2.153 10 0 CEAERO [NH3+]CC[C@H](O)c1ccc(Cl)cc1Br ZINC000126872409 344326855 /nfs/dbraw/zinc/32/68/55/344326855.db2.gz CXOKJJJSRXFELH-VIFPVBQESA-N 1 0 264.550 2.485 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1Oc1nc(Br)cs1 ZINC000131631326 344359361 /nfs/dbraw/zinc/35/93/61/344359361.db2.gz ZRWXBBQSNZOYFN-WDSKDSINSA-N 1 0 263.160 2.164 10 0 CEAERO CCCCCCCCCC(=O)OC[C@@H]1C[NH2+]CCN1 ZINC000137031625 344387019 /nfs/dbraw/zinc/38/70/19/344387019.db2.gz KNVSUBFDNZRNQK-AWEZNQCLSA-N 1 0 270.417 2.232 10 0 CEAERO COc1ccc(Cn2nc(C(N)=[NH2+])c(C)c2C2CC2)cc1 ZINC000144070713 344406778 /nfs/dbraw/zinc/40/67/78/344406778.db2.gz UBEPPIXFYZGRIZ-UHFFFAOYSA-N 1 0 284.363 2.410 10 0 CEAERO CC(C)[C@H]1CN(c2nc3ccccc3n2C)CC[NH2+]1 ZINC000149256423 344414762 /nfs/dbraw/zinc/41/47/62/344414762.db2.gz FEHDTTCYIVNZHK-CYBMUJFWSA-N 1 0 258.369 2.008 10 0 CEAERO CN(C)c1ccc(C(=O)N[C@H](C[NH3+])C2CCCCC2)cc1 ZINC000155791675 344439248 /nfs/dbraw/zinc/43/92/48/344439248.db2.gz ZMHKNMZQIRKINU-MRXNPFEDSA-N 1 0 289.423 2.390 10 0 CEAERO C[C@H](Oc1cc(Br)ccc1F)C(N)=[NH2+] ZINC000160501232 344459075 /nfs/dbraw/zinc/45/90/75/344459075.db2.gz PJFZEPNAXGYTGF-YFKPBYRVSA-N 1 0 261.094 2.291 10 0 CEAERO C[C@H]([NH3+])[C@@H]1CCN(c2nc(Br)cs2)C1 ZINC000160622602 344460093 /nfs/dbraw/zinc/46/00/93/344460093.db2.gz ABUQUWGMPILRMQ-NKWVEPMBSA-N 1 0 276.203 2.079 10 0 CEAERO NNc1cc(N2CCC(Cc3ccccc3)CC2)nc[nH+]1 ZINC000161644680 344464760 /nfs/dbraw/zinc/46/47/60/344464760.db2.gz PECGZKVPPDGVBI-UHFFFAOYSA-N 1 0 283.379 2.221 10 0 CEAERO Cc1c(=O)[nH]c2ccccc2c1OCC1CC[NH2+]CC1 ZINC000168234155 344479809 /nfs/dbraw/zinc/47/98/09/344479809.db2.gz KPUXZZYTXBMOPM-UHFFFAOYSA-N 1 0 272.348 2.215 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@@]2(C)CCCc3ccccc32)C1 ZINC000170868202 344491672 /nfs/dbraw/zinc/49/16/72/344491672.db2.gz ZKZGGVDAHBDZPL-QAPCUYQASA-N 1 0 286.419 2.443 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)c2cccc(-n3cccc3)c2)C1 ZINC000170859545 344491817 /nfs/dbraw/zinc/49/18/17/344491817.db2.gz GUDVJBPUTWSQKA-INIZCTEOSA-N 1 0 283.375 2.253 10 0 CEAERO CS[C@@H]1CCC[C@@H](NC(=O)C2CCC([NH3+])CC2)C1 ZINC000225504223 344546207 /nfs/dbraw/zinc/54/62/07/344546207.db2.gz VCRKSLZVQBBGDG-FIYWTHMPSA-N 1 0 270.442 2.294 10 0 CEAERO [NH3+][C@H]1CN(Cc2ccccc2)C[C@@H]1[C@@H]1CCCCO1 ZINC000225873823 344547900 /nfs/dbraw/zinc/54/79/00/344547900.db2.gz IZMCMZQESIQXER-JYJNAYRXSA-N 1 0 260.381 2.015 10 0 CEAERO [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[C@@H]3CCCC[C@@H]32)C1 ZINC000226330782 344548961 /nfs/dbraw/zinc/54/89/61/344548961.db2.gz RCLNHZNGHHHPBI-FQUUOJAGSA-N 1 0 250.386 2.295 10 0 CEAERO CN(C(=O)C1(c2ccccc2)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000226457964 344550235 /nfs/dbraw/zinc/55/02/35/344550235.db2.gz WZXLPXFAIIYFGO-OAHLLOKOSA-N 1 0 272.392 2.319 10 0 CEAERO CCCCOC[C@@H](O)C[NH+]1CCc2ccccc2CC1 ZINC000227907194 344557639 /nfs/dbraw/zinc/55/76/39/344557639.db2.gz PDNAIIZHMOKYTB-KRWDZBQOSA-N 1 0 277.408 2.265 10 0 CEAERO C[C@@H]([NH3+])[C@H](O)c1ccc(Br)c(Cl)c1 ZINC000235165928 344589698 /nfs/dbraw/zinc/58/96/98/344589698.db2.gz HLSQLOYOEWKSQF-ANLVUFKYSA-N 1 0 264.550 2.483 10 0 CEAERO Cc1[nH]c2ccc(C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)cc2c1C ZINC000235376439 344591116 /nfs/dbraw/zinc/59/11/16/344591116.db2.gz AYPQOAWZRKVAII-YMTOWFKASA-N 1 0 271.364 2.204 10 0 CEAERO O=C(c1c(F)ccc(Br)c1F)C1C[NH2+]C1 ZINC000236151422 344594900 /nfs/dbraw/zinc/59/49/00/344594900.db2.gz SWCVNXCUERCBRO-UHFFFAOYSA-N 1 0 276.080 2.129 10 0 CEAERO CC1(C)CCC[NH2+][C@H]1CN1C(=O)c2ccccc2C1=O ZINC000232995809 344580719 /nfs/dbraw/zinc/58/07/19/344580719.db2.gz WYXPWRBWRUOPTI-ZDUSSCGKSA-N 1 0 272.348 2.061 10 0 CEAERO CCS[C@@H]1CCC[C@H]1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000233825192 344582225 /nfs/dbraw/zinc/58/22/25/344582225.db2.gz GPDOGBDFKHINEG-YNEHKIRRSA-N 1 0 270.442 2.167 10 0 CEAERO CCOC(=O)C[C@H](O)C[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000233992100 344583004 /nfs/dbraw/zinc/58/30/04/344583004.db2.gz YUWYVWHNLHNHBZ-DOMZBBRYSA-N 1 0 279.380 2.214 10 0 CEAERO CN1CCC[C@H]([NH3+])[C@@H]1c1occc1Br ZINC000234328927 344584149 /nfs/dbraw/zinc/58/41/49/344584149.db2.gz RKBPYSKBBSCSGV-DTWKUNHWSA-N 1 0 259.147 2.136 10 0 CEAERO C[C@@H](C[NH3+])Nc1ccc(I)cc1 ZINC000235111392 344588841 /nfs/dbraw/zinc/58/88/41/344588841.db2.gz RTIVMGFVVOYQSZ-ZETCQYMHSA-N 1 0 276.121 2.050 10 0 CEAERO CSCCCCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000246666147 344617567 /nfs/dbraw/zinc/61/75/67/344617567.db2.gz BUPJSOFCTAVOPM-STQMWFEESA-N 1 0 285.457 2.008 10 0 CEAERO C[N@H+](CCOc1ccccc1F)C[C@@H](O)COC(C)(C)C ZINC000052815600 362475925 /nfs/dbraw/zinc/47/59/25/362475925.db2.gz WUWFBSRVWQUSHX-CYBMUJFWSA-N 1 0 299.386 2.312 10 0 CEAERO [NH3+]Cc1nccc(OC(F)(F)F)c1Br ZINC000238611393 344607167 /nfs/dbraw/zinc/60/71/67/344607167.db2.gz NXWQMXRYFWLADQ-UHFFFAOYSA-N 1 0 271.036 2.201 10 0 CEAERO C[NH+](C)C[C@@H](NC(=O)NCc1ccco1)c1ccccc1 ZINC000053249482 362489069 /nfs/dbraw/zinc/48/90/69/362489069.db2.gz COBIWSLKRZGAAL-OAHLLOKOSA-N 1 0 287.363 2.382 10 0 CEAERO CCO[C@@H]1C[C@@](CO)([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1(C)C ZINC000249076774 344627948 /nfs/dbraw/zinc/62/79/48/344627948.db2.gz ODSDAOMGSSZVBD-SGPHBRAGSA-N 1 0 285.428 2.098 10 0 CEAERO COc1nc2ccccc2nc1N[C@H]1CC[C@H]([NH3+])CC1 ZINC000257351282 344647740 /nfs/dbraw/zinc/64/77/40/344647740.db2.gz DBYCHQWINWCFNH-XYPYZODXSA-N 1 0 272.352 2.320 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](CNc2nc(Br)cs2)C1 ZINC000307275333 344721262 /nfs/dbraw/zinc/72/12/62/344721262.db2.gz QIWPSLYBRZEKFA-RNFRBKRXSA-N 1 0 276.203 2.445 10 0 CEAERO C[NH2+][C@H](C)C(=O)NCc1ccc(OCc2ccccc2)cc1 ZINC000309803355 344729619 /nfs/dbraw/zinc/72/96/19/344729619.db2.gz KIHHCGZRAJBZQR-CQSZACIVSA-N 1 0 298.386 2.490 10 0 CEAERO CCc1nsc(N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)n1 ZINC000311725309 344735832 /nfs/dbraw/zinc/73/58/32/344735832.db2.gz NCQBAOIGICWDRM-NWDGAFQWSA-N 1 0 274.393 2.032 10 0 CEAERO CCOC(=O)c1cnc(N[C@H]2CCC[N@H+](CC)C2)s1 ZINC000311958804 344736831 /nfs/dbraw/zinc/73/68/31/344736831.db2.gz IWFAKBOKIAVKBQ-JTQLQIEISA-N 1 0 283.397 2.216 10 0 CEAERO C[C@@H]([NH3+])C1CCN(c2ncnc3sccc32)CC1 ZINC000110651777 136465136 /nfs/dbraw/zinc/46/51/36/136465136.db2.gz QDXGDPCWNVPRDT-SECBINFHSA-N 1 0 262.382 2.255 10 0 CEAERO [NH3+]CCOc1ncc(Br)c2ccsc21 ZINC000306498751 344713732 /nfs/dbraw/zinc/71/37/32/344713732.db2.gz GQKKBGLPWXIRHZ-UHFFFAOYSA-N 1 0 273.155 2.396 10 0 CEAERO [NH3+][C@H]1CCO[C@H]1c1cccc(Br)c1F ZINC000306566258 344714702 /nfs/dbraw/zinc/71/47/02/344714702.db2.gz SBKXKVFVAPYNEG-WPRPVWTQSA-N 1 0 260.106 2.377 10 0 CEAERO C[C@@H]1[C@@H](Nc2cnc(N)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000306605913 344715647 /nfs/dbraw/zinc/71/56/47/344715647.db2.gz QMJJPIHEZCIAHI-OCCSQVGLSA-N 1 0 283.379 2.134 10 0 CEAERO C[C@@H]1[N@H+](Cc2ccccc2)CC[C@@]1(O)C1CCOCC1 ZINC000306669062 344716308 /nfs/dbraw/zinc/71/63/08/344716308.db2.gz KULUVTZJWOYXCJ-YOEHRIQHSA-N 1 0 275.392 2.439 10 0 CEAERO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC1=[NH+]CCS1 ZINC000306889073 344718472 /nfs/dbraw/zinc/71/84/72/344718472.db2.gz WXBWTYZZQOVURU-TZMCWYRMSA-N 1 0 275.421 2.199 10 0 CEAERO Cc1ccc([C@H](O)C[N@@H+](C)C[C@@H]2CCc3nccn3C2)cc1 ZINC000328623922 344756175 /nfs/dbraw/zinc/75/61/75/344756175.db2.gz CDMJPUBARHXIKJ-DOTOQJQBSA-N 1 0 299.418 2.419 10 0 CEAERO C[C@H](O)[C@@](C)(C[NH3+])Cc1cc(Br)ccc1F ZINC000083777474 178746112 /nfs/dbraw/zinc/74/61/12/178746112.db2.gz HAXPXICRTMSQAF-QPUJVOFHSA-N 1 0 290.176 2.477 10 0 CEAERO C[C@H](O)[C@H](C)[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000386851908 344832484 /nfs/dbraw/zinc/83/24/84/344832484.db2.gz CZLDEKXATTUFML-MQIPJXDCSA-N 1 0 259.349 2.232 10 0 CEAERO [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@H]2CC3CCC2CC3)C1 ZINC000400106030 344860393 /nfs/dbraw/zinc/86/03/93/344860393.db2.gz IDBOXOPSRGULIP-MMCPYJTDSA-N 1 0 264.413 2.446 10 0 CEAERO OCCN1CCC[C@@H]([NH2+]Cc2csc3ccccc23)C1 ZINC000395115008 344844152 /nfs/dbraw/zinc/84/41/52/344844152.db2.gz KPSAYGYUUACZDQ-CQSZACIVSA-N 1 0 290.432 2.448 10 0 CEAERO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@H]2CC3CCC2CC3)C1 ZINC000400185467 344861422 /nfs/dbraw/zinc/86/14/22/344861422.db2.gz WPFSUMMOGXSJQT-PNKMZZHYSA-N 1 0 250.386 2.056 10 0 CEAERO Fc1cc(CN2CC[C@H]3OCC[NH2+][C@@H]3C2)ccc1Cl ZINC000404288400 344879650 /nfs/dbraw/zinc/87/96/50/344879650.db2.gz YVDPYVQXRKBVQL-ZIAGYGMSSA-N 1 0 284.762 2.042 10 0 CEAERO CC(C)(C)[NH2+]CC[S@](=O)c1ccc(F)cc1F ZINC000084032114 178773463 /nfs/dbraw/zinc/77/34/63/178773463.db2.gz KWDVKJQOICRHSG-QGZVFWFLSA-N 1 0 261.337 2.461 10 0 CEAERO CCC[NH2+][C@@H](C)CCCCSc1n[nH]c(=O)n1CC ZINC000083966817 178767270 /nfs/dbraw/zinc/76/72/70/178767270.db2.gz DFGYQUIQBWJJOM-NSHDSACASA-N 1 0 286.445 2.242 10 0 CEAERO C[NH2+][C@H](C[S@](C)=O)C12CC3CC(CC(C3)C1)C2 ZINC000084045900 178777102 /nfs/dbraw/zinc/77/71/02/178777102.db2.gz JBYZDLRPBCYROR-JWVASZHZSA-N 1 0 255.427 2.169 10 0 CEAERO CC[NH2+][C@H](C[S@@](=O)CCOC)c1cc(C)ccc1OC ZINC000084035426 178774833 /nfs/dbraw/zinc/77/48/33/178774833.db2.gz ZSQCTFNQCHXCKM-JLTOFOAXSA-N 1 0 299.436 2.049 10 0 CEAERO CCOC(=O)[C@H](CC)Oc1ccc([C@@H](C)[NH3+])cc1OC ZINC000084098256 178788545 /nfs/dbraw/zinc/78/85/45/178788545.db2.gz RPXUFPNKEZYFLT-PWSUYJOCSA-N 1 0 281.352 2.435 10 0 CEAERO COC(=O)C[C@H](c1cccc(O[C@@H]2CC[NH2+]C2)c1)C1CC1 ZINC000584596723 344961475 /nfs/dbraw/zinc/96/14/75/344961475.db2.gz JTTBDMSWNQFXPQ-CVEARBPZSA-N 1 0 289.375 2.484 10 0 CEAERO CCn1nc(C[NH2+]CCO)c2cc(C(F)(F)F)ccc21 ZINC000584603000 344963052 /nfs/dbraw/zinc/96/30/52/344963052.db2.gz IVFLRWYWUHSREM-UHFFFAOYSA-N 1 0 287.285 2.157 10 0 CEAERO Brc1ccc([C@@H]2O[C@H]3C[NH2+][C@@H]2C3)cc1 ZINC000584626869 344968910 /nfs/dbraw/zinc/96/89/10/344968910.db2.gz DSVKOTGRDBKALE-MXWKQRLJSA-N 1 0 254.127 2.251 10 0 CEAERO CCOC[C@@H]([NH3+])Cc1ccc(F)cc1Br ZINC000084063737 178783632 /nfs/dbraw/zinc/78/36/32/178783632.db2.gz ZIERSPFHQLQFPG-JTQLQIEISA-N 1 0 276.149 2.495 10 0 CEAERO C[C@@H]1C[NH+](CCCOCC(F)(F)F)C[C@@H](C)O1 ZINC000053602169 362496798 /nfs/dbraw/zinc/49/67/98/362496798.db2.gz YNMYKIBDNKBPLL-NXEZZACHSA-N 1 0 255.280 2.065 10 0 CEAERO C[NH2+]C[C@H]1CCCN1c1ccc(Br)cn1 ZINC000053703601 362498182 /nfs/dbraw/zinc/49/81/82/362498182.db2.gz YPUHKTNNOXHIMT-SNVBAGLBSA-N 1 0 270.174 2.032 10 0 CEAERO Cc1ccc(CN(C)C(=O)CC2([NH3+])CCCC2)o1 ZINC000084164071 178810753 /nfs/dbraw/zinc/81/07/53/178810753.db2.gz TXCJAGJIIUBXCP-UHFFFAOYSA-N 1 0 250.342 2.208 10 0 CEAERO COc1ccc(NC(=O)C[C@@H]2CCC[NH2+]C2)cc1F ZINC000054290814 362521585 /nfs/dbraw/zinc/52/15/85/362521585.db2.gz LBHDLAWCWNMZBF-JTQLQIEISA-N 1 0 266.316 2.163 10 0 CEAERO C[NH2+][C@H](C)C(=O)Nc1cccc(OCC(C)C)c1 ZINC000054074577 362509097 /nfs/dbraw/zinc/50/90/97/362509097.db2.gz ONHPHWOBHISXRN-LLVKDONJSA-N 1 0 250.342 2.268 10 0 CEAERO CN(Cc1cccc(O)c1)C(=O)CC1([NH3+])CCCC1 ZINC000084182558 178816789 /nfs/dbraw/zinc/81/67/89/178816789.db2.gz NHOUVFVIUBOJMC-UHFFFAOYSA-N 1 0 262.353 2.012 10 0 CEAERO CCC(=O)Nc1ccc(NC(=O)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000054307196 362525164 /nfs/dbraw/zinc/52/51/64/362525164.db2.gz HVDLQLJLNZKSCO-LBPRGKRZSA-N 1 0 289.379 2.363 10 0 CEAERO CCN(CC)c1ccc(NC(=O)C[C@H]2CCC[NH2+]C2)cn1 ZINC000054306964 362525695 /nfs/dbraw/zinc/52/56/95/362525695.db2.gz YGICSRQGMVGFID-CYBMUJFWSA-N 1 0 290.411 2.256 10 0 CEAERO COCCN(Cc1ccccc1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054307661 362526671 /nfs/dbraw/zinc/52/66/71/362526671.db2.gz VXCKALCKMZMYIU-INIZCTEOSA-N 1 0 290.407 2.051 10 0 CEAERO CC[C@@H](NC(=O)CC1([NH3+])CCCC1)c1nccs1 ZINC000084187734 178820626 /nfs/dbraw/zinc/82/06/26/178820626.db2.gz SHWCOOLDDSHXNQ-SNVBAGLBSA-N 1 0 267.398 2.372 10 0 CEAERO [NH3+]C[C@@H](CS(=O)(=O)c1ccccc1F)c1ccccc1 ZINC000084268553 178836068 /nfs/dbraw/zinc/83/60/68/178836068.db2.gz SXTULFWWZUHZDM-ZDUSSCGKSA-N 1 0 293.363 2.342 10 0 CEAERO CCS(=O)(=O)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C[NH3+] ZINC000084269037 178836114 /nfs/dbraw/zinc/83/61/14/178836114.db2.gz YXKASVNOYJTYRX-GRYCIOLGSA-N 1 0 261.431 2.211 10 0 CEAERO Cc1nn(C)c(C[C@H](C)C[C@@H](C)[NH3+])c1Br ZINC000084277062 178840615 /nfs/dbraw/zinc/84/06/15/178840615.db2.gz DLYYABXGPFCDMX-HTQZYQBOSA-N 1 0 274.206 2.407 10 0 CEAERO Cc1ccc(S[C@@H](C)C[C@@](C)([NH3+])C(N)=O)cc1C ZINC000084348884 178861937 /nfs/dbraw/zinc/86/19/37/178861937.db2.gz BHQPJZKRRPJQMF-SMDDNHRTSA-N 1 0 266.410 2.377 10 0 CEAERO CC(C)(C)c1nc2ccccc2n1CCOCC[NH3+] ZINC000057799169 362596090 /nfs/dbraw/zinc/59/60/90/362596090.db2.gz IGVAXWHLBQGYKN-UHFFFAOYSA-N 1 0 261.369 2.309 10 0 CEAERO CCOC(=O)[C@](C)([NH3+])C[C@H](C)OCCCC(C)C ZINC000084366744 178874713 /nfs/dbraw/zinc/87/47/13/178874713.db2.gz DIPZFTYCVWLVJQ-GXTWGEPZSA-N 1 0 259.390 2.498 10 0 CEAERO CCC[NH2+][C@](C)(C[C@H](C)OCCC(C)C)C(N)=O ZINC000084367922 178875976 /nfs/dbraw/zinc/87/59/76/178875976.db2.gz DPAROCPZYFYHKH-GXTWGEPZSA-N 1 0 258.406 2.071 10 0 CEAERO CC[NH2+][C@@H](CCCS(=O)(=O)CC)[C@]1(C)CCCS1 ZINC000097217541 185566673 /nfs/dbraw/zinc/56/66/73/185566673.db2.gz KMNRCPOOUDIYFI-STQMWFEESA-N 1 0 293.498 2.465 10 0 CEAERO CCn1ncnc1C[C@H](CSc1cccc(F)c1)[NH2+]C ZINC000097323699 185585096 /nfs/dbraw/zinc/58/50/96/185585096.db2.gz PFQIVSZLGSRBFB-GFCCVEGCSA-N 1 0 294.399 2.360 10 0 CEAERO COC[C@@H](C)C[C@@H]([NH3+])Cc1nc2ccccc2n1C ZINC000097303316 185581599 /nfs/dbraw/zinc/58/15/99/185581599.db2.gz VWBTTWYLGJMVPR-NWDGAFQWSA-N 1 0 261.369 2.116 10 0 CEAERO C[NH2+][C@H](c1cccnc1OC)[C@@H]1CCc2cccnc21 ZINC000097305557 185582104 /nfs/dbraw/zinc/58/21/04/185582104.db2.gz LYFXTSZLRIESPW-DOMZBBRYSA-N 1 0 269.348 2.476 10 0 CEAERO Cc1csc(C[C@@H]([NH3+])Cn2cnc3ccccc32)n1 ZINC000097341980 185587543 /nfs/dbraw/zinc/58/75/43/185587543.db2.gz KCYJVICRMUDHGF-LLVKDONJSA-N 1 0 272.377 2.371 10 0 CEAERO [NH3+][C@H](Cc1cncs1)[C@@H]1OCCc2ccccc21 ZINC000097386402 185596052 /nfs/dbraw/zinc/59/60/52/185596052.db2.gz ALYLAZQXZFGBEE-ZIAGYGMSSA-N 1 0 260.362 2.327 10 0 CEAERO COC(=O)C[C@@](C)(c1ccccc1OC)C(C)(C)[NH3+] ZINC000097433913 185603201 /nfs/dbraw/zinc/60/32/01/185603201.db2.gz REAMAAXEWVVBMS-HNNXBMFYSA-N 1 0 265.353 2.253 10 0 CEAERO CC(C)C[NH2+][C@@]1(C(N)=O)CCC[C@@H](C(F)(F)F)C1 ZINC000085130572 178952775 /nfs/dbraw/zinc/95/27/75/178952775.db2.gz WNQVBGDTFUKQFG-KOLCDFICSA-N 1 0 266.307 2.209 10 0 CEAERO FC(F)(F)[C@H]1CCC[C@@H]([NH2+]C[C@@H]2COCCO2)C1 ZINC000085129450 178952894 /nfs/dbraw/zinc/95/28/94/178952894.db2.gz FSYHYXDOIXKKMW-HBNTYKKESA-N 1 0 267.291 2.113 10 0 CEAERO CC[NH2+][C@@H](COC(C)C)c1cnnn1-c1ccccc1 ZINC000097423659 185601003 /nfs/dbraw/zinc/60/10/03/185601003.db2.gz WDFKMWUTXZKWPD-AWEZNQCLSA-N 1 0 274.368 2.343 10 0 CEAERO COC(=O)C[C@](c1cccs1)([C@H](C)[NH3+])C1CC1 ZINC000097430960 185601445 /nfs/dbraw/zinc/60/14/45/185601445.db2.gz AZPDTNMRUPMCRK-ZANVPECISA-N 1 0 253.367 2.306 10 0 CEAERO CC[NH2+]C[C@](C)(O)Cc1cccc(Br)c1 ZINC000085076172 178947781 /nfs/dbraw/zinc/94/77/81/178947781.db2.gz RMGQWEGQYYKYOX-GFCCVEGCSA-N 1 0 272.186 2.352 10 0 CEAERO CCCOCC[C@H]([NH2+]C)c1c(Cl)cnn1CCOC ZINC000097461762 185610412 /nfs/dbraw/zinc/61/04/12/185610412.db2.gz IEFNZZORSYKKSL-LBPRGKRZSA-N 1 0 289.807 2.260 10 0 CEAERO Cc1nnsc1[C@H]([NH3+])[C@@H]1CC(C)(C)OC1(C)C ZINC000097459963 185611073 /nfs/dbraw/zinc/61/10/73/185611073.db2.gz NAYDYKVPSQVILN-DTWKUNHWSA-N 1 0 255.387 2.440 10 0 CEAERO Cc1nc(C)c([C@@H](C)NC[C@H](O)C[NH+]2CCCCC2)s1 ZINC000178518997 232373898 /nfs/dbraw/zinc/37/38/98/232373898.db2.gz WJKPFPGXRBWNEK-RISCZKNCSA-N 1 0 297.468 2.257 10 0 CEAERO CCN(C[C@@H](CO)[NH2+]C)c1cccc2ccccc21 ZINC000085216039 178979304 /nfs/dbraw/zinc/97/93/04/178979304.db2.gz DBRYGPPEGSAFQO-AWEZNQCLSA-N 1 0 258.365 2.246 10 0 CEAERO CC[NH+](CC)CC[C@@H](Cc1nc2ccccc2s1)NN ZINC000097591882 185634354 /nfs/dbraw/zinc/63/43/54/185634354.db2.gz CITGJUCUNOUBRP-LBPRGKRZSA-N 1 0 292.452 2.403 10 0 CEAERO CCCCN(C[C@@]([NH3+])(CO)C1CC1)c1ccccc1 ZINC000085261850 178991569 /nfs/dbraw/zinc/99/15/69/178991569.db2.gz IACQZJCVTIPEKV-MRXNPFEDSA-N 1 0 262.397 2.393 10 0 CEAERO CCC[NH2+][C@@](CO)(CN(CC1CC1)C1CC1)C1CC1 ZINC000085262022 178991994 /nfs/dbraw/zinc/99/19/94/178991994.db2.gz OZKCVPBMDRVSMU-MRXNPFEDSA-N 1 0 266.429 2.002 10 0 CEAERO C[C@]([NH3+])(CO)CCCCOc1ccc2c(c1)CCC2 ZINC000085282579 179000429 /nfs/dbraw/zinc/00/04/29/179000429.db2.gz VMCOSNYTDFVHAT-MRXNPFEDSA-N 1 0 263.381 2.434 10 0 CEAERO CCOc1ccc(OCCCC[C@](C)([NH3+])CO)cc1 ZINC000085283393 179001751 /nfs/dbraw/zinc/00/17/51/179001751.db2.gz DLCOAIJUHYBEFW-HNNXBMFYSA-N 1 0 267.369 2.344 10 0 CEAERO CCc1ccc(O[C@@H](C)C[C@](C)(CO)[NH2+]C)cc1 ZINC000085284098 179001980 /nfs/dbraw/zinc/00/19/80/179001980.db2.gz ROBIVYBSLMSSEF-SWLSCSKDSA-N 1 0 251.370 2.377 10 0 CEAERO CC[NH2+][C@](C)(CO)C[C@H](C)n1ccc(C(F)(F)F)n1 ZINC000085264343 178994843 /nfs/dbraw/zinc/99/48/43/178994843.db2.gz QJIMCROQSCLBFI-ONGXEEELSA-N 1 0 279.306 2.214 10 0 CEAERO CC[NH2+][C@@](C)(CO)C[C@H](C)n1cc(Cl)c(C)n1 ZINC000085264840 178995579 /nfs/dbraw/zinc/99/55/79/178995579.db2.gz LDIGTQLLPLHNKW-JOYOIKCWSA-N 1 0 259.781 2.157 10 0 CEAERO CC[NH2+][C@H](CO)CCO[C@H]1CCCc2ccccc21 ZINC000085269732 178998038 /nfs/dbraw/zinc/99/80/38/178998038.db2.gz OUZFMOCXRGSOFL-HOCLYGCPSA-N 1 0 263.381 2.441 10 0 CEAERO CC[NH2+][C@@](CO)(COc1cccc(CC)c1)C1CC1 ZINC000085270310 178998824 /nfs/dbraw/zinc/99/88/24/178998824.db2.gz GHJVBOGRKIWVPG-INIZCTEOSA-N 1 0 263.381 2.378 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)CCCCOCCOC(C)C ZINC000085270299 178998860 /nfs/dbraw/zinc/99/88/60/178998860.db2.gz SGYDBHOFRDEJGB-OAHLLOKOSA-N 1 0 275.433 2.347 10 0 CEAERO CC[NH+](CC)CC[C@H](NN)c1cccc2cccnc21 ZINC000097591695 185634787 /nfs/dbraw/zinc/63/47/87/185634787.db2.gz QOLVSCYJUHECQT-HNNXBMFYSA-N 1 0 272.396 2.471 10 0 CEAERO CCc1ccccc1OCCC[C@](C)(CO)[NH2+]C ZINC000085286443 179003997 /nfs/dbraw/zinc/00/39/97/179003997.db2.gz IAMLVZXVXSIJIJ-OAHLLOKOSA-N 1 0 251.370 2.378 10 0 CEAERO C[NH2+][C@@H](CO)COc1ccc(C(C)(C)C)cc1C ZINC000085286585 179004149 /nfs/dbraw/zinc/00/41/49/179004149.db2.gz AVKSDZASZFYNKC-ZDUSSCGKSA-N 1 0 251.370 2.252 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCOc1ccc(F)c(F)c1 ZINC000085286790 179004515 /nfs/dbraw/zinc/00/45/15/179004515.db2.gz HNESYGVDKHCDJF-CYBMUJFWSA-N 1 0 259.296 2.094 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)CCOc1ccc(F)c(F)c1 ZINC000085286793 179004866 /nfs/dbraw/zinc/00/48/66/179004866.db2.gz DSXZJFJZACJFIT-AWEZNQCLSA-N 1 0 273.323 2.483 10 0 CEAERO C[NH2+][C@](CO)(CSCc1ccccc1)C1CC1 ZINC000085290526 179006598 /nfs/dbraw/zinc/00/65/98/179006598.db2.gz CYUGYSPILOATBS-CQSZACIVSA-N 1 0 251.395 2.280 10 0 CEAERO CC[NH2+][C@H](CO)CCSc1cccc(OC)c1 ZINC000085291064 179006775 /nfs/dbraw/zinc/00/67/75/179006775.db2.gz ZNYTZHRRNKWXEY-NSHDSACASA-N 1 0 255.383 2.148 10 0 CEAERO COc1ccc(SCC[C@H](CO)[NH2+]C2CC2)cc1 ZINC000085291935 179007135 /nfs/dbraw/zinc/00/71/35/179007135.db2.gz CARRPODULTUDBD-GFCCVEGCSA-N 1 0 267.394 2.290 10 0 CEAERO C[NH2+][C@](CO)(CSc1ccc(F)cc1)C1CC1 ZINC000085291642 179007353 /nfs/dbraw/zinc/00/73/53/179007353.db2.gz CVSYNOQUMFJIHQ-CYBMUJFWSA-N 1 0 255.358 2.278 10 0 CEAERO CCC[NH2+][C@@](C)(CO)C[C@H](C)Sc1nnc(C)s1 ZINC000085297130 179008314 /nfs/dbraw/zinc/00/83/14/179008314.db2.gz ALSSDIPKBNYIFY-JOYOIKCWSA-N 1 0 289.470 2.468 10 0 CEAERO C[NH2+][C@@](C)(CO)CCSc1ccc(F)c(F)c1 ZINC000085298053 179009439 /nfs/dbraw/zinc/00/94/39/179009439.db2.gz PZPHVBRSCSQMBE-GFCCVEGCSA-N 1 0 261.337 2.417 10 0 CEAERO CC(C)[NH2+][C@@H](CO)CSc1ccc(F)c(F)c1 ZINC000085298041 179009574 /nfs/dbraw/zinc/00/95/74/179009574.db2.gz XDWCDRUNFYEPNV-VIFPVBQESA-N 1 0 261.337 2.416 10 0 CEAERO CCN(CCC[C@@](C)(O)C[NH3+])c1cccc(F)c1 ZINC000085300766 179010679 /nfs/dbraw/zinc/01/06/79/179010679.db2.gz WZQUSDNJDLMCOP-CQSZACIVSA-N 1 0 254.349 2.142 10 0 CEAERO C[C@@H](C[C@@](C)(O)C[NH3+])OCCCc1ccccc1 ZINC000085305259 179012166 /nfs/dbraw/zinc/01/21/66/179012166.db2.gz PDODOFLXQVSBFX-DZGCQCFKSA-N 1 0 251.370 2.124 10 0 CEAERO C[C@@H]1CCC[C@@H](OC[C@@](O)(C[NH3+])c2ccccc2)C1 ZINC000085305559 179012168 /nfs/dbraw/zinc/01/21/68/179012168.db2.gz WUXZMJWYVLYKQI-BMFZPTHFSA-N 1 0 263.381 2.428 10 0 CEAERO CC(C)(C)c1cccc(OC[C@@](O)(C[NH3+])C2CC2)c1 ZINC000085307542 179012680 /nfs/dbraw/zinc/01/26/80/179012680.db2.gz YFGQZMDDGKFYSG-INIZCTEOSA-N 1 0 263.381 2.463 10 0 CEAERO COc1ccc(OC[C@@](C)(O)C[NH3+])c(C(C)(C)C)c1 ZINC000085306424 179012861 /nfs/dbraw/zinc/01/28/61/179012861.db2.gz DDPMNHNCWWIDAN-HNNXBMFYSA-N 1 0 267.369 2.081 10 0 CEAERO [NH3+]C[C@](O)(CSc1ccccn1)c1ccccc1 ZINC000085308579 179013049 /nfs/dbraw/zinc/01/30/49/179013049.db2.gz PSSGZBBGEVOPKY-AWEZNQCLSA-N 1 0 260.362 2.020 10 0 CEAERO Cc1csc(SC[C@](O)(C[NH3+])c2ccccc2)n1 ZINC000085308680 179013143 /nfs/dbraw/zinc/01/31/43/179013143.db2.gz XVEKKYUILMMTNC-CYBMUJFWSA-N 1 0 280.418 2.390 10 0 CEAERO [NH3+]C[C@](O)(CSc1ccc2c(c1)CCC2)C1CC1 ZINC000085308778 179013164 /nfs/dbraw/zinc/01/31/64/179013164.db2.gz NDYRQTFQOGOXCE-HNNXBMFYSA-N 1 0 263.406 2.367 10 0 CEAERO CC(=O)Nc1ccc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000085357392 179030619 /nfs/dbraw/zinc/03/06/19/179030619.db2.gz JATOEKXFFZDQPN-KBPBESRZSA-N 1 0 275.352 2.101 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1ccc(Br)cn1 ZINC000085357747 179030626 /nfs/dbraw/zinc/03/06/26/179030626.db2.gz GQROZGQKORMGRV-ZJUUUORDSA-N 1 0 298.184 2.300 10 0 CEAERO [NH3+]CC[C@@H](O)c1cccc(Cl)c1Br ZINC000213336987 539535792 /nfs/dbraw/zinc/53/57/92/539535792.db2.gz HMQNIPJCMULWEP-MRVPVSSYSA-N 1 0 264.550 2.485 10 0 CEAERO Cc1ccc(CN(C)C(=O)[C@H]2CCCC[C@H]2[NH3+])o1 ZINC000085358366 179031276 /nfs/dbraw/zinc/03/12/76/179031276.db2.gz ZZCPECZICKSPKD-QWHCGFSZSA-N 1 0 250.342 2.064 10 0 CEAERO Cc1nnc(-c2ccccc2NC(=O)[C@@H]2CCC[C@H]2[NH3+])o1 ZINC000085360162 179032392 /nfs/dbraw/zinc/03/23/92/179032392.db2.gz AYOMFCCQZZPEOB-ZYHUDNBSSA-N 1 0 286.335 2.111 10 0 CEAERO COCc1cccc(NC(=O)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000085359806 179032613 /nfs/dbraw/zinc/03/26/13/179032613.db2.gz XKCPZKABUYCMQD-UONOGXRCSA-N 1 0 262.353 2.289 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000085361361 179033092 /nfs/dbraw/zinc/03/30/92/179033092.db2.gz VSNBLBUHCUBRGB-GJZGRUSLSA-N 1 0 284.363 2.328 10 0 CEAERO C[C@@H](NC(=O)[C@H]1CCC[C@@H]1[NH3+])c1ccc(F)c(F)c1 ZINC000085360641 179033184 /nfs/dbraw/zinc/03/31/84/179033184.db2.gz MZAZOIAZPHLWCU-DVYJOKAKSA-N 1 0 268.307 2.269 10 0 CEAERO CC(=O)Nc1ccc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])cc1Cl ZINC000085361545 179033758 /nfs/dbraw/zinc/03/37/58/179033758.db2.gz KPQUTHIXRLAELQ-ZYHUDNBSSA-N 1 0 295.770 2.364 10 0 CEAERO COc1cc(C)c(NC(=O)[C@H]2CCC[C@H]2[NH3+])cc1OC ZINC000085362607 179034164 /nfs/dbraw/zinc/03/41/64/179034164.db2.gz JEPMXVHDUPKOFW-WDEREUQCSA-N 1 0 278.352 2.078 10 0 CEAERO CCOc1cc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])ccc1OC ZINC000085364393 179035171 /nfs/dbraw/zinc/03/51/71/179035171.db2.gz XJTJAYBYKAUXDK-RYUDHWBXSA-N 1 0 278.352 2.160 10 0 CEAERO C[C@H](CCc1ccc(O)cc1)NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085363984 179035324 /nfs/dbraw/zinc/03/53/24/179035324.db2.gz XBNURIKCNJEJLB-WQVCFCJDSA-N 1 0 290.407 2.347 10 0 CEAERO Ic1cnc([C@H]2CCC[NH2+]2)s1 ZINC000085352038 179029552 /nfs/dbraw/zinc/02/95/52/179029552.db2.gz UQQLXOHUGLLGJY-RXMQYKEDSA-N 1 0 280.134 2.172 10 0 CEAERO CC(=O)Nc1cc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])ccc1F ZINC000085365507 179036763 /nfs/dbraw/zinc/03/67/63/179036763.db2.gz DXKRFXJHUJPCJN-AAEUAGOBSA-N 1 0 293.342 2.240 10 0 CEAERO COc1ccc([C@H]2CCCN2C(=O)[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000085366792 179037003 /nfs/dbraw/zinc/03/70/03/179037003.db2.gz UHLAATKJSJGLRR-OWCLPIDISA-N 1 0 288.391 2.486 10 0 CEAERO COc1cc(C)ccc1NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085366194 179037179 /nfs/dbraw/zinc/03/71/79/179037179.db2.gz RKYCGIIMXCHUQQ-NEPJUHHUSA-N 1 0 262.353 2.460 10 0 CEAERO C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085367880 179037558 /nfs/dbraw/zinc/03/75/58/179037558.db2.gz RDSSYTISSXALNJ-GDPRMGEGSA-N 1 0 278.318 2.303 10 0 CEAERO CN(CCCOc1ccccc1)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085368345 179038005 /nfs/dbraw/zinc/03/80/05/179038005.db2.gz MXMOGIGXMYJQPJ-JKSUJKDBSA-N 1 0 290.407 2.431 10 0 CEAERO Cc1cccc(OCCNC(=O)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000085372921 179042408 /nfs/dbraw/zinc/04/24/08/179042408.db2.gz OWJHOKKHWIFZNP-LSDHHAIUSA-N 1 0 276.380 2.008 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1nc2c(s1)CCCC2 ZINC000085372717 179042454 /nfs/dbraw/zinc/04/24/54/179042454.db2.gz IQEBPLGESDLQMQ-UWVGGRQHSA-N 1 0 279.409 2.478 10 0 CEAERO CN(C(=O)[C@H]1CCCC[C@H]1[NH3+])c1cccc(F)c1 ZINC000085373595 179042868 /nfs/dbraw/zinc/04/28/68/179042868.db2.gz UEWYELPRJKGJOC-QWHCGFSZSA-N 1 0 250.317 2.306 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000062116202 362708354 /nfs/dbraw/zinc/70/83/54/362708354.db2.gz QTSVRJUJYPBGAB-GXSJLCMTSA-N 1 0 252.745 2.127 10 0 CEAERO CCOC(=O)CC[NH2+][C@@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000085401492 179052202 /nfs/dbraw/zinc/05/22/02/179052202.db2.gz DFCYJPUNCJLSRF-CHWSQXEVSA-N 1 0 271.401 2.369 10 0 CEAERO FC(F)(F)CN(CCc1ccncc1)C1CC[NH2+]CC1 ZINC000085402811 179052279 /nfs/dbraw/zinc/05/22/79/179052279.db2.gz QFOQXHZDOFOKPQ-UHFFFAOYSA-N 1 0 287.329 2.240 10 0 CEAERO CC(C)[N@@H+]1CCO[C@H](CN2CCCNc3ccccc32)C1 ZINC000085403468 179052836 /nfs/dbraw/zinc/05/28/36/179052836.db2.gz GSMLTTFKKPXKFG-HNNXBMFYSA-N 1 0 289.423 2.418 10 0 CEAERO COc1ccc(C(=O)N(C)c2cccc(C[NH3+])c2)cc1 ZINC000061950343 362700280 /nfs/dbraw/zinc/70/02/80/362700280.db2.gz IKCLWFBBSBDUHC-UHFFFAOYSA-N 1 0 270.332 2.431 10 0 CEAERO CC[C@]1(C)CN(Cc2ccn(C(C)C)n2)CC[NH2+]1 ZINC000085435201 179061974 /nfs/dbraw/zinc/06/19/74/179061974.db2.gz ZEDJQYYHVQXMLA-CQSZACIVSA-N 1 0 250.390 2.038 10 0 CEAERO CCC1(CC)CN(CCCOCC(F)(F)F)CC[NH2+]1 ZINC000085435292 179062257 /nfs/dbraw/zinc/06/22/57/179062257.db2.gz XLKLIBXOUOYDFD-UHFFFAOYSA-N 1 0 282.350 2.419 10 0 CEAERO CC[NH+](CC)CCc1ncc(Br)c(NC)n1 ZINC000085461732 179069197 /nfs/dbraw/zinc/06/91/97/179069197.db2.gz MHPSIFDOKISXJR-UHFFFAOYSA-N 1 0 287.205 2.165 10 0 CEAERO FC(F)(F)CCN1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC000085450146 179065349 /nfs/dbraw/zinc/06/53/49/179065349.db2.gz BCBGVGZZGMGZNV-ZDUSSCGKSA-N 1 0 272.314 2.455 10 0 CEAERO CC[C@]1(C)CN[C@H](C)C[N@@H+]1[C@@H]1CCC[C@H](OC)C1 ZINC000085454194 179066832 /nfs/dbraw/zinc/06/68/32/179066832.db2.gz ZKNOIFOPHHGEKX-APIJFGDWSA-N 1 0 254.418 2.406 10 0 CEAERO CC[C@H]1C[N@H+](CCCn2ccnc2)[C@@](C)(CC)CN1 ZINC000085474415 179077993 /nfs/dbraw/zinc/07/79/93/179077993.db2.gz QKIQUPVDXAMWPW-GJZGRUSLSA-N 1 0 264.417 2.126 10 0 CEAERO CC[C@H]1C[N@H+](CCOC)[C@H](C2CCCCC2)CN1 ZINC000085473954 179078115 /nfs/dbraw/zinc/07/81/15/179078115.db2.gz DYQCXRHEYBNMKF-GJZGRUSLSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@H]1CN(CCOCC(F)(F)F)[C@@](C)(CC)C[NH2+]1 ZINC000085474440 179078169 /nfs/dbraw/zinc/07/81/69/179078169.db2.gz KMEXNDNLHNCPOK-RYUDHWBXSA-N 1 0 282.350 2.418 10 0 CEAERO CC[C@@H]1CN[C@H](C(C)(C)C)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085475589 179078626 /nfs/dbraw/zinc/07/86/26/179078626.db2.gz KFIXYZQIPGIXMZ-MJBXVCDLSA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1C[C@@H]1CCCO1 ZINC000085475538 179078940 /nfs/dbraw/zinc/07/89/40/179078940.db2.gz IGLQJBXMBAUNAF-RDBSUJKOSA-N 1 0 254.418 2.264 10 0 CEAERO CC[C@]1(C)CN([C@@H]2CCOC2)[C@H](C(C)(C)C)C[NH2+]1 ZINC000085496072 179082230 /nfs/dbraw/zinc/08/22/30/179082230.db2.gz HLOVOFDTHLUFIA-VNHYZAJKSA-N 1 0 254.418 2.264 10 0 CEAERO CC(C)(C)[C@@H]1C[N@H+](C[C@@H]2CCOC2)[C@H](C2CC2)CN1 ZINC000085476263 179079433 /nfs/dbraw/zinc/07/94/33/179079433.db2.gz CQMGQCMYCAUZII-QEJZJMRPSA-N 1 0 266.429 2.121 10 0 CEAERO CC[C@@H](C)[C@H]1C[N@H+](C[C@@H]2CCOC2)[C@H](C(C)C)CN1 ZINC000085491597 179080967 /nfs/dbraw/zinc/08/09/67/179080967.db2.gz SLDPTHFLNKSIHQ-QXSJWSMHSA-N 1 0 268.445 2.367 10 0 CEAERO COCCN1C[C@H](CC(C)C)[NH2+]CC12CCCC2 ZINC000085488941 179081524 /nfs/dbraw/zinc/08/15/24/179081524.db2.gz JGQPJDWICCBRND-AWEZNQCLSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1C[C@@H]1CCCCO1 ZINC000085510546 179085442 /nfs/dbraw/zinc/08/54/42/179085442.db2.gz CGOZZXRVKLYPFF-PMPSAXMXSA-N 1 0 266.429 2.408 10 0 CEAERO CC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1CCOC(C)C ZINC000085509898 179085478 /nfs/dbraw/zinc/08/54/78/179085478.db2.gz HCNBFPVAXRRWQC-CABCVRRESA-N 1 0 254.418 2.264 10 0 CEAERO COCCOCCN1C[C@@](C)(C2CC2)[NH2+]C[C@@H]1CC(C)C ZINC000085513346 179086287 /nfs/dbraw/zinc/08/62/87/179086287.db2.gz UDTGYBHIDRCZJC-IRXDYDNUSA-N 1 0 298.471 2.138 10 0 CEAERO CC[C@H](C)[C@@H]1CN[C@@](C)(C2CC2)C[N@@H+]1CCOCCOC ZINC000085512880 179086463 /nfs/dbraw/zinc/08/64/63/179086463.db2.gz APDPBVPIDUCZAP-BHYGNILZSA-N 1 0 298.471 2.138 10 0 CEAERO CC(C)C[C@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1cnn(C)c1 ZINC000085513471 179086854 /nfs/dbraw/zinc/08/68/54/179086854.db2.gz YEVMMONIRDEQFR-IRXDYDNUSA-N 1 0 290.455 2.409 10 0 CEAERO CC[C@H]1C[NH2+]C(CC)(CC)CN1CCn1cccn1 ZINC000085517472 179087371 /nfs/dbraw/zinc/08/73/71/179087371.db2.gz SZBWMPZJOGXFEM-AWEZNQCLSA-N 1 0 264.417 2.126 10 0 CEAERO C[C@@H]1C[NH2+][C@H](C2CC2)CN1CCc1ccsc1 ZINC000085521453 179087657 /nfs/dbraw/zinc/08/76/57/179087657.db2.gz PXDRTWFVKWTRJA-RISCZKNCSA-N 1 0 250.411 2.363 10 0 CEAERO COCCC[N@@H+]1C[C@](C)(C2CC2)NCC12CCCC2 ZINC000085515699 179087755 /nfs/dbraw/zinc/08/77/55/179087755.db2.gz XCFIJCKDVVIMIR-OAHLLOKOSA-N 1 0 266.429 2.410 10 0 CEAERO CCn1cc(CN2C[C@](C)(CC)[NH2+]CC2(C)C)cn1 ZINC000085496456 179082819 /nfs/dbraw/zinc/08/28/19/179082819.db2.gz XPPUILVYXALBSH-HNNXBMFYSA-N 1 0 264.417 2.256 10 0 CEAERO CC(C)OCCN1CC2(CCCC2)[NH2+]CC1(C)C ZINC000085498494 179082888 /nfs/dbraw/zinc/08/28/88/179082888.db2.gz IDBBVCBUMAPGFB-UHFFFAOYSA-N 1 0 254.418 2.408 10 0 CEAERO CCOCC[N@@H+]1C[C@@](C)(CC)NCC12CCCC2 ZINC000085497063 179083123 /nfs/dbraw/zinc/08/31/23/179083123.db2.gz XUEDWKVIGWDXHM-CQSZACIVSA-N 1 0 254.418 2.410 10 0 CEAERO CCC[C@@H]1C[NH2+]C2(CCCC2)CN1[C@@H]1CCOC1 ZINC000085497948 179083389 /nfs/dbraw/zinc/08/33/89/179083389.db2.gz JBPSRLWAJFZEFY-ZIAGYGMSSA-N 1 0 252.402 2.162 10 0 CEAERO C[C@H]1C[NH2+][C@H](c2ccccc2)CN1C[C@@H]1CCCO1 ZINC000085504570 179084341 /nfs/dbraw/zinc/08/43/41/179084341.db2.gz UVYYSTJQTBSAPN-BPUTZDHNSA-N 1 0 260.381 2.200 10 0 CEAERO CSCc1ccc(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000602594930 347093085 /nfs/dbraw/zinc/09/30/85/347093085.db2.gz SQZBVYNOYKNBCP-BXUZGUMPSA-N 1 0 278.421 2.216 10 0 CEAERO c1cn(CCC[N@@H+]2C[C@@H](C3CC3)NCC23CCCC3)cn1 ZINC000085528997 179091075 /nfs/dbraw/zinc/09/10/75/179091075.db2.gz PJJOMIJXNNFJJY-INIZCTEOSA-N 1 0 288.439 2.270 10 0 CEAERO C([C@@H]1CCOC1)[N@@H+]1C[C@@H](C2CC2)NCC12CCCC2 ZINC000085529178 179091170 /nfs/dbraw/zinc/09/11/70/179091170.db2.gz AIYCLMKZYPLBLB-ZFWWWQNUSA-N 1 0 264.413 2.020 10 0 CEAERO C[C@@H]1CN[C@](C)(c2ccccc2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085531800 179091563 /nfs/dbraw/zinc/09/15/63/179091563.db2.gz DKYVOTKKDLCDIM-VYDXJSESSA-N 1 0 274.408 2.232 10 0 CEAERO C[C@@H]1C[NH2+][C@](C)(c2ccccc2)CN1Cc1cnn(C)c1 ZINC000085531825 179091766 /nfs/dbraw/zinc/09/17/66/179091766.db2.gz WIHAMYFYBLZFDE-PBHICJAKSA-N 1 0 284.407 2.129 10 0 CEAERO COc1cccc(-n2c3c(nc2C2CC2)C[NH2+]CC3)c1 ZINC000085568087 179095006 /nfs/dbraw/zinc/09/50/06/179095006.db2.gz UOACUKNFMHZJNG-UHFFFAOYSA-N 1 0 269.348 2.404 10 0 CEAERO COc1ccc(CCn2c(C)nc3c2CC[NH2+]C3)cc1 ZINC000085568373 179095463 /nfs/dbraw/zinc/09/54/63/179095463.db2.gz GRXMLGUAZBNTED-UHFFFAOYSA-N 1 0 271.364 2.089 10 0 CEAERO Cc1nc2c(n1-c1cc(F)c(F)c(F)c1)CC[NH2+]C2 ZINC000085571089 179095997 /nfs/dbraw/zinc/09/59/97/179095997.db2.gz DXVRZFOVEGONTN-UHFFFAOYSA-N 1 0 267.254 2.244 10 0 CEAERO CCc1nc2c(n1C[C@@H]1Cc3ccccc3O1)CC[NH2+]C2 ZINC000085570660 179096077 /nfs/dbraw/zinc/09/60/77/179096077.db2.gz TUBXZRAEZLODDJ-ZDUSSCGKSA-N 1 0 283.375 2.095 10 0 CEAERO C[C@@H]([NH2+][C@H](CO)c1ccccc1)C(=O)Nc1ccccc1 ZINC000063002696 362740714 /nfs/dbraw/zinc/74/07/14/362740714.db2.gz DQXQHTMDPHFBGP-CZUORRHYSA-N 1 0 284.359 2.337 10 0 CEAERO COC[C@@H](C)n1c2c(nc1C1CCCC1)C[NH2+]CC2 ZINC000085605894 179100385 /nfs/dbraw/zinc/10/03/85/179100385.db2.gz GAJVCVIPNFDCNJ-LLVKDONJSA-N 1 0 263.385 2.394 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1Nc1ncccc1Br ZINC000063176696 362754474 /nfs/dbraw/zinc/75/44/74/362754474.db2.gz DYLMPOHPYMCQHE-IUCAKERBSA-N 1 0 256.147 2.136 10 0 CEAERO CC[C@@H](C)[C@@H]1C[N@H+](CC2CCOCC2)CCCN1 ZINC000085609763 179101382 /nfs/dbraw/zinc/10/13/82/179101382.db2.gz JWNTWWGZJOZOIE-HIFRSBDPSA-N 1 0 254.418 2.123 10 0 CEAERO COc1cccc(CN2CCC[NH2+][C@@H](CC(C)C)C2)n1 ZINC000085611255 179103053 /nfs/dbraw/zinc/10/30/53/179103053.db2.gz PAYZQMVTGVOTPD-HNNXBMFYSA-N 1 0 277.412 2.300 10 0 CEAERO C[C@]1(c2ccccc2)CN(CC(F)F)CCC[NH2+]1 ZINC000085615478 179103783 /nfs/dbraw/zinc/10/37/83/179103783.db2.gz NLLOVWALISUOID-CQSZACIVSA-N 1 0 254.324 2.462 10 0 CEAERO Cc1n[nH]cc1CCC[NH2+][C@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085676024 179112706 /nfs/dbraw/zinc/11/27/06/179112706.db2.gz SUTICVAYNIRDJZ-KKUMJFAQSA-N 1 0 277.412 2.444 10 0 CEAERO CC[NH2+]Cc1nnc(-c2ccncc2Cl)s1 ZINC000085705147 179120412 /nfs/dbraw/zinc/12/04/12/179120412.db2.gz WKLVMABSRSKIOC-UHFFFAOYSA-N 1 0 254.746 2.363 10 0 CEAERO CC[NH2+][C@H](C)[C@@H]1CCCCN1c1cc(CC)ncn1 ZINC000111718224 136564083 /nfs/dbraw/zinc/56/40/83/136564083.db2.gz OTKPGHAEBBFXMG-OCCSQVGLSA-N 1 0 262.401 2.396 10 0 CEAERO Cc1sc2ncnc(N3C[C@@H](C)[C@@H]([NH3+])C3)c2c1C ZINC000235402342 282492701 /nfs/dbraw/zinc/49/27/01/282492701.db2.gz VZHVBKSMGUAJHM-XCBNKYQSSA-N 1 0 262.382 2.092 10 0 CEAERO C[C@@H]([NH3+])C1CCN(c2ccc(Br)cn2)CC1 ZINC000082475177 136581554 /nfs/dbraw/zinc/58/15/54/136581554.db2.gz RFSYDGFVNNWJSW-SECBINFHSA-N 1 0 284.201 2.408 10 0 CEAERO Cn1c2ccccc2nc1NCC1(C)CC[NH2+]CC1 ZINC000129447781 365859081 /nfs/dbraw/zinc/85/90/81/365859081.db2.gz PLORCQPATHTOHF-UHFFFAOYSA-N 1 0 258.369 2.375 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000236900994 370649922 /nfs/dbraw/zinc/64/99/22/370649922.db2.gz FBLVOURQGXLPRF-JKSUJKDBSA-N 1 0 290.407 2.322 10 0 CEAERO CN(C)C[C@H]([NH3+])Cc1ccc(Br)cc1F ZINC000085798474 179172713 /nfs/dbraw/zinc/17/27/13/179172713.db2.gz CCDYBMYTWQAZGZ-SNVBAGLBSA-N 1 0 275.165 2.020 10 0 CEAERO Cc1ccc(CNC(=O)[C@H]2CCC[NH2+][C@H]2C)s1 ZINC000335593710 212306687 /nfs/dbraw/zinc/30/66/87/212306687.db2.gz LJLQPBOWTRBBPP-JQWIXIFHSA-N 1 0 252.383 2.061 10 0 CEAERO O=C(NCC1CC1)C1=CC[N@H+](Cc2cccc(F)c2)CC1 ZINC000064818108 362795100 /nfs/dbraw/zinc/79/51/00/362795100.db2.gz VGYXDLDBCHFCHD-UHFFFAOYSA-N 1 0 288.366 2.484 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1CNC(=O)c1ccc2ncccc2c1 ZINC000085965896 179205635 /nfs/dbraw/zinc/20/56/35/179205635.db2.gz KOWFBPCTLGBWBH-LSDHHAIUSA-N 1 0 283.375 2.482 10 0 CEAERO COc1cccc(NC(=O)NC[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000085970277 179206398 /nfs/dbraw/zinc/20/63/98/179206398.db2.gz NPYACGTVIJASID-RISCZKNCSA-N 1 0 277.368 2.334 10 0 CEAERO CC(C)(C[NH3+])[C@H](O)c1cccc(Br)c1 ZINC000085915016 179198111 /nfs/dbraw/zinc/19/81/11/179198111.db2.gz BIIDJXXDZIYGAG-SNVBAGLBSA-N 1 0 258.159 2.467 10 0 CEAERO C[C@@H]([NH3+])[C@H](CO)Oc1ccccc1-c1ccccc1 ZINC000085919302 179199609 /nfs/dbraw/zinc/19/96/09/179199609.db2.gz UORAZIPYYXZDBF-WBMJQRKESA-N 1 0 257.333 2.441 10 0 CEAERO CCC[NH2+][C@H](CCO)C[S@@](=O)c1ccc(C)c(C)c1 ZINC000085926499 179202047 /nfs/dbraw/zinc/20/20/47/179202047.db2.gz YGGNWRYOIUYVRP-KUHUBIRLSA-N 1 0 283.437 2.162 10 0 CEAERO CC[NH2+][C@H](CCO)C[S@](=O)c1ccc(C(C)(C)C)cc1 ZINC000085927581 179202301 /nfs/dbraw/zinc/20/23/01/179202301.db2.gz XJGPHBSJZNFQJD-JLTOFOAXSA-N 1 0 297.464 2.452 10 0 CEAERO C[C@H]1[C@H]([NH3+])CC[C@@H]1S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000086041444 179222453 /nfs/dbraw/zinc/22/24/53/179222453.db2.gz PUENWPHRGHUBNJ-BPTDKIDVSA-N 1 0 291.775 2.379 10 0 CEAERO CC[NH2+][C@@H]1CC[C@@H](S(=O)(=O)C2CCCC2)[C@@H]1C ZINC000086042027 179222724 /nfs/dbraw/zinc/22/27/24/179222724.db2.gz JAJKHDZLBAWRKA-RAIGVLPGSA-N 1 0 259.415 2.120 10 0 CEAERO CC[NH2+][C@@H]1CC[C@H](S(=O)(=O)c2ccccc2OC)[C@@H]1C ZINC000086041995 179222898 /nfs/dbraw/zinc/22/28/98/179222898.db2.gz BRMLBGOXGQWBMV-BZPMIXESSA-N 1 0 297.420 2.246 10 0 CEAERO C[C@@H]1CC[C@@H](NC(=O)[C@H]([NH3+])Cc2ccccc2)[C@@H]1C ZINC000086075459 179225290 /nfs/dbraw/zinc/22/52/90/179225290.db2.gz LUTGZTCGWDFWGE-QHSBEEBCSA-N 1 0 260.381 2.107 10 0 CEAERO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC(=O)N(C3CCCC3)C2=O)[C@@H]1C ZINC000086075218 179225307 /nfs/dbraw/zinc/22/53/07/179225307.db2.gz TXUOQGDTFIYTPP-HBJVGIJOSA-N 1 0 278.396 2.081 10 0 CEAERO CCC1(C(=O)N[C@@H]2CC[C@@H](C)[C@@H]2C)CC[NH2+]CC1 ZINC000086076168 179225734 /nfs/dbraw/zinc/22/57/34/179225734.db2.gz UBLDZBSXEKIEQP-FRRDWIJNSA-N 1 0 252.402 2.317 10 0 CEAERO CCC[NH2+][C@@H](c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000086022376 179219038 /nfs/dbraw/zinc/21/90/38/179219038.db2.gz HUSPGDURVDVXQR-TZMCWYRMSA-N 1 0 285.409 2.372 10 0 CEAERO Cc1cc([C@@H]([NH3+])[C@H]2CCS(=O)(=O)C2)c(C)cc1Cl ZINC000086023057 179219126 /nfs/dbraw/zinc/21/91/26/179219126.db2.gz LWECSSASPYOUMF-GWCFXTLKSA-N 1 0 287.812 2.391 10 0 CEAERO CC(C)[C@H](CO)[NH2+]Cc1ccc(O)c(Br)c1 ZINC000086122434 179235405 /nfs/dbraw/zinc/23/54/05/179235405.db2.gz KEYTVNCVYZJHGI-NSHDSACASA-N 1 0 288.185 2.261 10 0 CEAERO CC[C@@]1(C)CN(CCc2ccc3c(c2)OCCO3)CC[NH2+]1 ZINC000086123519 179235602 /nfs/dbraw/zinc/23/56/02/179235602.db2.gz XADCOKOPHPDMPU-KRWDZBQOSA-N 1 0 290.407 2.074 10 0 CEAERO CCC[C@H]1CN(CCc2ccc(OC)cc2)CC[NH2+]1 ZINC000086122958 179236109 /nfs/dbraw/zinc/23/61/09/179236109.db2.gz QYWAVHVHXHZANH-HNNXBMFYSA-N 1 0 262.397 2.312 10 0 CEAERO Cc1cccc(OCCN2CC[NH2+][C@](C)(C3CC3)C2)c1 ZINC000086145312 179237470 /nfs/dbraw/zinc/23/74/70/179237470.db2.gz PRGFJWOXABUAAY-KRWDZBQOSA-N 1 0 274.408 2.448 10 0 CEAERO c1coc(CCN2CC[NH2+][C@H](Cc3ccccc3)C2)c1 ZINC000086142805 179238013 /nfs/dbraw/zinc/23/80/13/179238013.db2.gz MYBPLLKQHHTBSQ-MRXNPFEDSA-N 1 0 270.376 2.339 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)Nc2ccc(Br)cc2)C1 ZINC000086089445 179229076 /nfs/dbraw/zinc/22/90/76/179229076.db2.gz JQHNJQXTQGCMGW-SCZZXKLOSA-N 1 0 281.153 2.291 10 0 CEAERO CC[C@H](C)[C@@H]1CN(C[C@@H]2Cc3ccccc3O2)CC[NH2+]1 ZINC000086146962 179239955 /nfs/dbraw/zinc/23/99/55/179239955.db2.gz PIRBNHAKBOKMAU-BPUTZDHNSA-N 1 0 274.408 2.310 10 0 CEAERO CC(C)C[C@@H]1CN(CCOC2CCCC2)CC[NH2+]1 ZINC000086149527 179240595 /nfs/dbraw/zinc/24/05/95/179240595.db2.gz VVPREOFYXHGQCI-CQSZACIVSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](Cc2ccccc2)CN1[C@@H](C)COC ZINC000086151886 179240654 /nfs/dbraw/zinc/24/06/54/179240654.db2.gz OWYZIXKOPKRQJN-BHYGNILZSA-N 1 0 276.424 2.316 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C)CN1CCc1ccc(OC)c(OC)c1 ZINC000086152072 179240659 /nfs/dbraw/zinc/24/06/59/179240659.db2.gz FNXDJZCNROJWDK-UKRRQHHQSA-N 1 0 292.423 2.319 10 0 CEAERO Cc1csc(CN2C[C@H](C(C)C)[NH2+]C[C@@H]2C)n1 ZINC000086173097 179244369 /nfs/dbraw/zinc/24/43/69/179244369.db2.gz DUIRGUGHCNNKNM-NWDGAFQWSA-N 1 0 253.415 2.270 10 0 CEAERO Cc1nc(CN2C[C@H](C)[NH2+]C[C@@H]2C(C)C)cs1 ZINC000086173077 179244484 /nfs/dbraw/zinc/24/44/84/179244484.db2.gz AIMAUNPMSBXINN-GXFFZTMASA-N 1 0 253.415 2.270 10 0 CEAERO Cc1csc(CN2C[C@@H](C)[NH2+]C[C@@H]2C(C)C)n1 ZINC000086173104 179244848 /nfs/dbraw/zinc/24/48/48/179244848.db2.gz DKEJCYPEGQWLNO-ZYHUDNBSSA-N 1 0 253.415 2.270 10 0 CEAERO Cc1cc(CN2C[C@H](C(C)C)[NH2+]C[C@@H]2C(C)C)no1 ZINC000086173909 179245097 /nfs/dbraw/zinc/24/50/97/179245097.db2.gz HILOFKINMREBNY-HUUCEWRRSA-N 1 0 265.401 2.437 10 0 CEAERO CC[C@@H]1CN[C@H](C(C)C)C[N@@H+]1[C@@H]1CCC[C@@H]1OC ZINC000086174365 179245272 /nfs/dbraw/zinc/24/52/72/179245272.db2.gz FLPBHLWQBGVHBA-BARDWOONSA-N 1 0 254.418 2.262 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C(C)C)CN1Cc1ccnc(OC)c1 ZINC000086175227 179245358 /nfs/dbraw/zinc/24/53/58/179245358.db2.gz CHVFKGLLOBLAEU-LSDHHAIUSA-N 1 0 277.412 2.299 10 0 CEAERO COC[C@H](C)N1C[C@H](C2CCCCC2)[NH2+]C[C@@H]1C ZINC000086179953 179246702 /nfs/dbraw/zinc/24/67/02/179246702.db2.gz QEOJMUGPTIAGNS-KCQAQPDRSA-N 1 0 254.418 2.264 10 0 CEAERO Cc1cc(CN2CC[NH2+][C@H](C3CCCCC3)C2)no1 ZINC000086146053 179238870 /nfs/dbraw/zinc/23/88/70/179238870.db2.gz ZTPXYDGXGAKEAA-HNNXBMFYSA-N 1 0 263.385 2.337 10 0 CEAERO COC[C@H](C)CN1CC[NH2+][C@H](C2CCCCC2)C1 ZINC000086146672 179239053 /nfs/dbraw/zinc/23/90/53/179239053.db2.gz VMSVGTGVFOICRM-HIFRSBDPSA-N 1 0 254.418 2.123 10 0 CEAERO CC(C)C[C@H]1CN(CCc2nccs2)CC[NH2+]1 ZINC000086148921 179239451 /nfs/dbraw/zinc/23/94/51/179239451.db2.gz WAXKVFXLFNBUBD-LBPRGKRZSA-N 1 0 253.415 2.006 10 0 CEAERO CC[C@@H](C)[C@H]1CN(C[C@@H]2Cc3ccccc3O2)CC[NH2+]1 ZINC000086146963 179239762 /nfs/dbraw/zinc/23/97/62/179239762.db2.gz PIRBNHAKBOKMAU-VNQPRFMTSA-N 1 0 274.408 2.310 10 0 CEAERO CC[C@@H]1C[N@H+]([C@@H](C)[C@@H]2CCCO2)[C@H](C(C)C)CN1 ZINC000086218224 179249626 /nfs/dbraw/zinc/24/96/26/179249626.db2.gz CRIDTBSDHNTKJL-XGUBFFRZSA-N 1 0 254.418 2.262 10 0 CEAERO CC[C@H]1C[NH2+][C@@](C)(CC)CN1c1cnn(CC)c1 ZINC000086218537 179249990 /nfs/dbraw/zinc/24/99/90/179249990.db2.gz LEKOWLQNQLWSDS-JSGCOSHPSA-N 1 0 250.390 2.260 10 0 CEAERO O=C1NCCC[C@H]1[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000129752481 365891916 /nfs/dbraw/zinc/89/19/16/365891916.db2.gz AQKODDVFCQQVLK-QWHCGFSZSA-N 1 0 264.756 2.196 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@H](C2CC2)CN1CCc1ccncc1 ZINC000086223314 179251954 /nfs/dbraw/zinc/25/19/54/179251954.db2.gz AUEAKYFMFOFNTP-IRXDYDNUSA-N 1 0 273.424 2.333 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1c1cnn(CCOC)c1 ZINC000086227221 179254160 /nfs/dbraw/zinc/25/41/60/179254160.db2.gz PUKVKIHWKOYUJA-DZGCQCFKSA-N 1 0 294.443 2.132 10 0 CEAERO [NH3+][C@@H]1CCO[C@@H]1c1cc(Br)ccc1F ZINC000086249346 179255034 /nfs/dbraw/zinc/25/50/34/179255034.db2.gz UGEHFNVMKCLNLH-NXEZZACHSA-N 1 0 260.106 2.377 10 0 CEAERO CCC1(CC)CN(Cc2cc(C)on2)[C@H](C)C[NH2+]1 ZINC000086259817 179259565 /nfs/dbraw/zinc/25/95/65/179259565.db2.gz LQTBHPJITDWQPK-LLVKDONJSA-N 1 0 251.374 2.336 10 0 CEAERO CC[C@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1cnc(C)cn1 ZINC000086263054 179259804 /nfs/dbraw/zinc/25/98/04/179259804.db2.gz YILAOMKXRMCSQS-JKSUJKDBSA-N 1 0 274.412 2.138 10 0 CEAERO CC[C@@H]1CN(Cc2cc(C)no2)[C@H](C(C)C)C[NH2+]1 ZINC000086260409 179259851 /nfs/dbraw/zinc/25/98/51/179259851.db2.gz IDSXLANZTDGQDS-OCCSQVGLSA-N 1 0 251.374 2.191 10 0 CEAERO C[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1ccc2c(c1)OCO2 ZINC000086263399 179260457 /nfs/dbraw/zinc/26/04/57/179260457.db2.gz OTVCUFOECTVZOU-SJKOYZFVSA-N 1 0 288.391 2.378 10 0 CEAERO Cc1cccc(CN2C[C@](C)(C3CC3)[NH2+]C[C@@H]2C)n1 ZINC000086261730 179260664 /nfs/dbraw/zinc/26/06/64/179260664.db2.gz NTZJFSXXHQGUBU-XJKSGUPXSA-N 1 0 259.397 2.352 10 0 CEAERO CC[C@H]1CN[C@](C)(C2CC2)C[N@@H+]1[C@@H]1CCCOC1 ZINC000086265152 179261131 /nfs/dbraw/zinc/26/11/31/179261131.db2.gz QWZPFAMMRPAERA-ZNMIVQPWSA-N 1 0 252.402 2.018 10 0 CEAERO C[C@@H]1C[NH2+][C@H](C2CCCCC2)CN1Cc1nccn1C ZINC000086264825 179261398 /nfs/dbraw/zinc/26/13/98/179261398.db2.gz STTGANOFNXNHSI-HIFRSBDPSA-N 1 0 276.428 2.163 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C2CC2)CN1CCc1cscn1 ZINC000086265569 179261751 /nfs/dbraw/zinc/26/17/51/179261751.db2.gz PLUAAPWPFIDZQM-ZIAGYGMSSA-N 1 0 265.426 2.148 10 0 CEAERO C[N@@H+]1CCC[C@@H](Nc2nc(Br)cs2)C1 ZINC000086279205 179262843 /nfs/dbraw/zinc/26/28/43/179262843.db2.gz KBDLNLQDUDIOPY-SSDOTTSWSA-N 1 0 276.203 2.412 10 0 CEAERO CN(C[C@H]1CCC[N@@H+]1C)c1nc(Br)cs1 ZINC000086291439 179265174 /nfs/dbraw/zinc/26/51/74/179265174.db2.gz AZJMMUUAVNRXMG-MRVPVSSYSA-N 1 0 290.230 2.436 10 0 CEAERO C[C@H]1CCN(c2nc(Br)cs2)C[C@@H]1[NH3+] ZINC000086290889 179265195 /nfs/dbraw/zinc/26/51/95/179265195.db2.gz BTPNCHMYEYTPHR-BQBZGAKWSA-N 1 0 276.203 2.079 10 0 CEAERO CC[C@@H]1CN(CCc2ccccc2F)CCC[NH2+]1 ZINC000086285748 179263420 /nfs/dbraw/zinc/26/34/20/179263420.db2.gz INDQVUMUJCHDOE-CQSZACIVSA-N 1 0 250.361 2.442 10 0 CEAERO CC[N@H+](C)CCNc1nc(Br)cs1 ZINC000086279799 179263745 /nfs/dbraw/zinc/26/37/45/179263745.db2.gz VHRNOQPXQITANK-UHFFFAOYSA-N 1 0 264.192 2.269 10 0 CEAERO CC[C@@H]1CN(CCc2cccc(F)c2)CCC[NH2+]1 ZINC000086287246 179264501 /nfs/dbraw/zinc/26/45/01/179264501.db2.gz ZQWGASQIWQKSMT-OAHLLOKOSA-N 1 0 250.361 2.442 10 0 CEAERO Cn1cc(N2CCC[NH2+][C@](C)(c3ccccc3)C2)cn1 ZINC000086287141 179264652 /nfs/dbraw/zinc/26/46/52/179264652.db2.gz JADUVYOOEVJNKD-INIZCTEOSA-N 1 0 270.380 2.135 10 0 CEAERO CN(c1nc(Br)cs1)[C@H]1CCC[N@H+](C)C1 ZINC000086290980 179265249 /nfs/dbraw/zinc/26/52/49/179265249.db2.gz QHUBFPSKGUPINC-QMMMGPOBSA-N 1 0 290.230 2.436 10 0 CEAERO C[N@@H+]1CCN(c2nc(Br)cs2)CC1(C)C ZINC000086291216 179265287 /nfs/dbraw/zinc/26/52/87/179265287.db2.gz UOEJYZOLWUBOPQ-UHFFFAOYSA-N 1 0 290.230 2.436 10 0 CEAERO CC[C@H]1CN[C@](C)(C2CC2)C[N@@H+]1CC[C@@H]1CCCO1 ZINC000086258773 179256528 /nfs/dbraw/zinc/25/65/28/179256528.db2.gz BODGCBXZNIAJFF-JYJNAYRXSA-N 1 0 266.429 2.408 10 0 CEAERO CCC1(CC)C[N@H+](CC[C@@H]2CCCO2)[C@@H](C)CN1 ZINC000086258852 179256697 /nfs/dbraw/zinc/25/66/97/179256697.db2.gz JYBYGVREWJGHRH-KBPBESRZSA-N 1 0 254.418 2.408 10 0 CEAERO C[C@@H]1CN[C@@H](C(C)(C)C)C[N@@H+]1CC[C@@H]1CCCO1 ZINC000086258897 179257215 /nfs/dbraw/zinc/25/72/15/179257215.db2.gz SAOUKWKZUGIBCS-HZSPNIEDSA-N 1 0 254.418 2.264 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1Oc1nc(Br)cs1 ZINC000086291785 179266013 /nfs/dbraw/zinc/26/60/13/179266013.db2.gz MKPMKPQGRDYNLY-BQBZGAKWSA-N 1 0 277.187 2.412 10 0 CEAERO CC[C@H](C)[C@@H]1C[N@H+](C[C@@H]2CCCOC2)CCCN1 ZINC000086292444 179266546 /nfs/dbraw/zinc/26/65/46/179266546.db2.gz VDNJSNHYBWMUKA-KKUMJFAQSA-N 1 0 254.418 2.123 10 0 CEAERO CC[C@@](C)([NH3+])COc1nc(Br)cs1 ZINC000086291755 179266814 /nfs/dbraw/zinc/26/68/14/179266814.db2.gz WDIGVCZQOXKRRP-MRVPVSSYSA-N 1 0 265.176 2.412 10 0 CEAERO Cn1ccnc1CN1CCC[NH2+][C@H](C2CCCCC2)C1 ZINC000086297352 179267512 /nfs/dbraw/zinc/26/75/12/179267512.db2.gz YIAWYTFSWOLTEM-HNNXBMFYSA-N 1 0 276.428 2.164 10 0 CEAERO c1ccc([C@H]2C[N@H+]([C@@H]3CCCOC3)CCCN2)cc1 ZINC000086297640 179267785 /nfs/dbraw/zinc/26/77/85/179267785.db2.gz HDFCNCXWJCYZTA-HZPDHXFCSA-N 1 0 260.381 2.202 10 0 CEAERO CCC[C@@H]1CN(Cc2ccnc(OC)c2)CCC[NH2+]1 ZINC000086296324 179268178 /nfs/dbraw/zinc/26/81/78/179268178.db2.gz WIERCQZRMSOKNT-CQSZACIVSA-N 1 0 263.385 2.054 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(CCc2nccs2)CCC[NH2+]1 ZINC000086296821 179268362 /nfs/dbraw/zinc/26/83/62/179268362.db2.gz NTUXZXOPSKHQPJ-OLZOCXBDSA-N 1 0 267.442 2.396 10 0 CEAERO CCC[C@@H]1CN(CCOC2CCCC2)CCC[NH2+]1 ZINC000086297986 179268526 /nfs/dbraw/zinc/26/85/26/179268526.db2.gz NTDULKWHIZRYMX-CQSZACIVSA-N 1 0 254.418 2.410 10 0 CEAERO CCC[C@@H]1CN(CCc2cscn2)CCC[NH2+]1 ZINC000086297907 179268764 /nfs/dbraw/zinc/26/87/64/179268764.db2.gz DVZWDUXXMLARDR-GFCCVEGCSA-N 1 0 253.415 2.150 10 0 CEAERO CCN1C(=O)CC[C@H]([NH3+])[C@H]1c1ccc2ccccc2n1 ZINC000086317423 179270064 /nfs/dbraw/zinc/27/00/64/179270064.db2.gz AXCRKDGBKBVUJC-LRDDRELGSA-N 1 0 269.348 2.246 10 0 CEAERO Ic1ccc(CC2C[NH2+]C2)cc1 ZINC000086394977 179285412 /nfs/dbraw/zinc/28/54/12/179285412.db2.gz MKLNPJJTTOGARF-UHFFFAOYSA-N 1 0 273.117 2.053 10 0 CEAERO CC[C@@H]1CN(C(=O)Cc2ccccc2OC)[C@@H](CC)C[NH2+]1 ZINC000086446301 179294423 /nfs/dbraw/zinc/29/44/23/179294423.db2.gz KTSDETCNKBULTF-CABCVRRESA-N 1 0 290.407 2.227 10 0 CEAERO CC[C@H]1CN(c2nc3c(s2)CCC[C@@H]3O)CC[N@@H+]1C ZINC000086444815 179294593 /nfs/dbraw/zinc/29/45/93/179294593.db2.gz PGDATNFQKVMPNH-QWRGUYRKSA-N 1 0 281.425 2.043 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)c1cccc(OC)c1O ZINC000086445969 179294850 /nfs/dbraw/zinc/29/48/50/179294850.db2.gz QXHSZNOKVKKVBZ-NWDGAFQWSA-N 1 0 292.379 2.003 10 0 CEAERO CC[C@@H]1CN(C(=O)c2cccc(F)c2)[C@H](CC)C[NH2+]1 ZINC000086446993 179295383 /nfs/dbraw/zinc/29/53/83/179295383.db2.gz VXJRYZKHXPCBBQ-ZIAGYGMSSA-N 1 0 264.344 2.428 10 0 CEAERO [NH2+]=C1NC[C@@H](c2cccc(Br)c2)N1C1CC1 ZINC000086473050 179300457 /nfs/dbraw/zinc/30/04/57/179300457.db2.gz LKWLKBLVKMNVSC-NSHDSACASA-N 1 0 280.169 2.283 10 0 CEAERO c1ccc2c(c1)C[C@@H]2c1noc(C2CC[NH2+]CC2)n1 ZINC000086486354 179301723 /nfs/dbraw/zinc/30/17/23/179301723.db2.gz TWWHPYQGYSXKFW-ZDUSSCGKSA-N 1 0 255.321 2.225 10 0 CEAERO [NH3+][C@H](Cc1nc([C@@H]2Cc3ccccc32)no1)C1CC1 ZINC000086492033 179302417 /nfs/dbraw/zinc/30/24/17/179302417.db2.gz JSWMUCMZQFXBIE-CHWSQXEVSA-N 1 0 255.321 2.037 10 0 CEAERO CN1C(=[NH2+])NC[C@H]1c1cc(Cl)ccc1Br ZINC000086458398 179296294 /nfs/dbraw/zinc/29/62/94/179296294.db2.gz AZJXTYPXVIIJMJ-VIFPVBQESA-N 1 0 288.576 2.404 10 0 CEAERO C[C@@H]1CN(CC(=O)N(C2=CCCCC2)C2CC2)[C@@H](C)C[NH2+]1 ZINC000086470400 179299967 /nfs/dbraw/zinc/29/99/67/179299967.db2.gz NRCHJIWATKXWIV-KGLIPLIRSA-N 1 0 291.439 2.118 10 0 CEAERO CO[C@@H](C)[C@H]([NH3+])Cc1cccc(Br)c1 ZINC000086576650 179308644 /nfs/dbraw/zinc/30/86/44/179308644.db2.gz YPNPZKFNAINJNN-GZMMTYOYSA-N 1 0 258.159 2.354 10 0 CEAERO CCCN1CCO[C@@H](C[NH3+])[C@@H]1c1ccc(OC)c(Cl)c1 ZINC000086584981 179309035 /nfs/dbraw/zinc/30/90/35/179309035.db2.gz CWPLPAYJWWIXCB-GJZGRUSLSA-N 1 0 298.814 2.459 10 0 CEAERO Cc1cnc([C@H](C)NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)o1 ZINC000231744233 539581091 /nfs/dbraw/zinc/58/10/91/539581091.db2.gz DJYZYOUACBIGGO-WODVXLOZSA-N 1 0 277.368 2.081 10 0 CEAERO CC(C)n1c2ccc(C[NH3+])cc2nc1-c1ccnn1C ZINC000086641518 179314773 /nfs/dbraw/zinc/31/47/73/179314773.db2.gz QRKHGKSPRLDCRI-UHFFFAOYSA-N 1 0 269.352 2.476 10 0 CEAERO C[C@@H]1C[NH+]=C(NCCOc2ccccc2)SC1 ZINC000086633100 179315178 /nfs/dbraw/zinc/31/51/78/179315178.db2.gz XZHNRCVQWBOPLN-LLVKDONJSA-N 1 0 250.367 2.394 10 0 CEAERO CC(C)Cn1c2ccc(C[NH3+])cc2nc1C(C)(C)CO ZINC000086641658 179315305 /nfs/dbraw/zinc/31/53/05/179315305.db2.gz LSVGJCAERLMYIT-UHFFFAOYSA-N 1 0 275.396 2.421 10 0 CEAERO C[NH+](C)C[C@@H](O)Cc1cc(F)cc(Br)c1 ZINC000086696009 179320935 /nfs/dbraw/zinc/32/09/35/179320935.db2.gz SVIASSCHXAXWKB-NSHDSACASA-N 1 0 276.149 2.053 10 0 CEAERO COC[C@H]([NH2+]C[C@@H](O)c1cc(C)ccc1OC)C(C)C ZINC000086700375 179321369 /nfs/dbraw/zinc/32/13/69/179321369.db2.gz VVEIRWLLHUWMJU-LSDHHAIUSA-N 1 0 281.396 2.298 10 0 CEAERO COC[C@H](NC(=O)Nc1ccc([C@H](C)[NH3+])cc1)C(C)C ZINC000086706957 179322065 /nfs/dbraw/zinc/32/20/65/179322065.db2.gz KHRRURLKORWJFK-FZMZJTMJSA-N 1 0 279.384 2.499 10 0 CEAERO CS(=O)(=O)[C@H]1CCC[C@@H]1[NH2+]CC1CCCCC1 ZINC000086672216 179317820 /nfs/dbraw/zinc/31/78/20/179317820.db2.gz ZYABCIHXHCBUJK-STQMWFEESA-N 1 0 259.415 2.122 10 0 CEAERO C[C@H](Cc1ccsc1)[NH2+][C@H]1CCC[C@@H]1S(C)(=O)=O ZINC000086675577 179318577 /nfs/dbraw/zinc/31/85/77/179318577.db2.gz CDNUJMDLLKWANJ-WXHSDQCUSA-N 1 0 287.450 2.234 10 0 CEAERO COCCC[N@H+](C)Cc1ccc(Br)cc1N ZINC000086706430 179322121 /nfs/dbraw/zinc/32/21/21/179322121.db2.gz GPRDLBMDPWBUGV-UHFFFAOYSA-N 1 0 287.201 2.500 10 0 CEAERO NN=c1[nH]cc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000086768141 179325542 /nfs/dbraw/zinc/32/55/42/179325542.db2.gz SLTXDZJHMDVVJZ-SSDOTTSWSA-N 1 0 280.319 2.203 10 0 CEAERO CCCC1CCC(C[NH3+])(OCc2nnc(C)n2C)CC1 ZINC000086713404 179322702 /nfs/dbraw/zinc/32/27/02/179322702.db2.gz RGCZXASPGIGTER-UHFFFAOYSA-N 1 0 280.416 2.328 10 0 CEAERO CCn1cc(CO[C@@]2(C[NH3+])CCC[C@@H](C)C2)cn1 ZINC000086712833 179322708 /nfs/dbraw/zinc/32/27/08/179322708.db2.gz ZHSSAHUZLXASRH-OCCSQVGLSA-N 1 0 251.374 2.327 10 0 CEAERO CCC1CCC(C[NH3+])(O[C@@H](C)C(=O)NC(C)C)CC1 ZINC000086713297 179322716 /nfs/dbraw/zinc/32/27/16/179322716.db2.gz NPDVTMLASDUZRS-OPFPJEHXSA-N 1 0 270.417 2.214 10 0 CEAERO C[C@H](OC1(C[NH3+])CCC(C(C)(C)C)CC1)C(=O)N(C)C ZINC000086713625 179322828 /nfs/dbraw/zinc/32/28/28/179322828.db2.gz LVOYUHDOHIIMTL-FUJMWEONSA-N 1 0 284.444 2.414 10 0 CEAERO CC(C)C1CCC(C[NH3+])(O[C@H](C)C(=O)NC2CC2)CC1 ZINC000086713557 179322932 /nfs/dbraw/zinc/32/29/32/179322932.db2.gz ITUGEGQMZDYPJF-VEAWUBTESA-N 1 0 282.428 2.214 10 0 CEAERO CNc1ccccc1C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000042033576 290843021 /nfs/dbraw/zinc/84/30/21/290843021.db2.gz QNZGDOZKZLFIFC-CYBMUJFWSA-N 1 0 277.412 2.434 10 0 CEAERO CCOC(=O)[C@]1(NCc2ccccc2)CCC[N@H+](C)CC1 ZINC000086819793 179348206 /nfs/dbraw/zinc/34/82/06/179348206.db2.gz FRFPIOFREWBOEE-KRWDZBQOSA-N 1 0 290.407 2.194 10 0 CEAERO Cc1c(F)cc(C(N)=O)cc1N[C@H]1CCC[N@@H+](C)CC1 ZINC000086818358 179346719 /nfs/dbraw/zinc/34/67/19/179346719.db2.gz KJOMSGDPNAPEPA-LBPRGKRZSA-N 1 0 279.359 2.129 10 0 CEAERO C[N@@H+]1CCC[C@@H](Nc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000086818798 179347223 /nfs/dbraw/zinc/34/72/23/179347223.db2.gz CHRNBPPOIJFNLP-GFCCVEGCSA-N 1 0 289.358 2.303 10 0 CEAERO CCC[N@@H+]1CCC[C@H](NCc2ccnc(C)n2)CC1 ZINC000086842081 179353729 /nfs/dbraw/zinc/35/37/29/179353729.db2.gz ARXPMLTUMCFYLX-AWEZNQCLSA-N 1 0 262.401 2.139 10 0 CEAERO CCC[N@@H+]1CCC[C@](N)(c2noc(C(C)(C)C)n2)CC1 ZINC000086851777 179359962 /nfs/dbraw/zinc/35/99/62/179359962.db2.gz RWIQTPXBVPRBMI-OAHLLOKOSA-N 1 0 280.416 2.417 10 0 CEAERO CC[N@@H+]1CCC[C@@](CO)(Nc2ccc(OC)cc2)CC1 ZINC000086867947 179360736 /nfs/dbraw/zinc/36/07/36/179360736.db2.gz GMRMZPRWCIRKQD-MRXNPFEDSA-N 1 0 278.396 2.344 10 0 CEAERO CC(C)[N@@H+]1CCC[C@](CO)(NCc2cccs2)CC1 ZINC000086868244 179360775 /nfs/dbraw/zinc/36/07/75/179360775.db2.gz WWYYMBHIWNMFJN-HNNXBMFYSA-N 1 0 282.453 2.463 10 0 CEAERO CC[N@H+]([C@@H](C)CC(=O)[O-])[C@@H]1CCC[NH+](C(C)C)CC1 ZINC000086868975 179362901 /nfs/dbraw/zinc/36/29/01/179362901.db2.gz JLBDXNHDQIKFRK-UONOGXRCSA-N 1 0 270.417 2.434 10 0 CEAERO CCC[N@@H+]1CCC[C@](Nc2ccccc2)(C(N)=O)CC1 ZINC000086849320 179357928 /nfs/dbraw/zinc/35/79/28/179357928.db2.gz SVMSXSTUADHCOG-MRXNPFEDSA-N 1 0 275.396 2.219 10 0 CEAERO CC[C@@H](C)[NH2+][C@]1(C(=O)[O-])CCC[N@@H+](C(C)C)CC1 ZINC000086850480 179358678 /nfs/dbraw/zinc/35/86/78/179358678.db2.gz KEVBEDFKHRUWCV-TZMCWYRMSA-N 1 0 256.390 2.092 10 0 CEAERO CCS(=O)(=O)CCC[C@@H](C[NH3+])Cc1ccc(OC)cc1 ZINC000086980686 179372886 /nfs/dbraw/zinc/37/28/86/179372886.db2.gz NAYDPLDLRDUUNH-CQSZACIVSA-N 1 0 299.436 2.028 10 0 CEAERO CCS(=O)(=O)CCCC[C@@H](C)C[NH2+]CC(C)C ZINC000086981812 179373787 /nfs/dbraw/zinc/37/37/87/179373787.db2.gz QDXMFOQTKPCAET-CYBMUJFWSA-N 1 0 263.447 2.473 10 0 CEAERO CC[C@H](CCCS(=O)(=O)CC)C[NH2+]CC(C)C ZINC000086980861 179373245 /nfs/dbraw/zinc/37/32/45/179373245.db2.gz QFOMHTGPBRZAKD-CYBMUJFWSA-N 1 0 263.447 2.473 10 0 CEAERO CC[C@@H](C[NH3+])c1nc([C@@H]2CSCCS2)no1 ZINC000086981545 179373268 /nfs/dbraw/zinc/37/32/68/179373268.db2.gz CRDKSONOIVNULI-YUMQZZPRSA-N 1 0 259.400 2.043 10 0 CEAERO COC(=O)[C@]1([NH2+]C2CCCCCC2)CCCOCC1 ZINC000086876695 179365278 /nfs/dbraw/zinc/36/52/78/179365278.db2.gz LMAGCGHZZXRIOZ-HNNXBMFYSA-N 1 0 269.385 2.411 10 0 CEAERO C[C@@H]1C[C@](C[NH3+])(N(C)Cc2ccsc2)CS1 ZINC000086936658 179368126 /nfs/dbraw/zinc/36/81/26/179368126.db2.gz NVRGDRPJZJRFPN-ZYHUDNBSSA-N 1 0 256.440 2.403 10 0 CEAERO CC(C)(C)[C@H]1CCC[C@@H]([NH2+]CCCS(N)(=O)=O)CC1 ZINC000086957960 179368574 /nfs/dbraw/zinc/36/85/74/179368574.db2.gz HGIWTTMCZBVDOI-QWHCGFSZSA-N 1 0 290.473 2.250 10 0 CEAERO CCC[C@H]1CCC[C@@](C(=O)OC)(N2CC[NH2+]CC2)CC1 ZINC000086949868 179368851 /nfs/dbraw/zinc/36/88/51/179368851.db2.gz QTWJFIXWXPRQIW-GOEBONIOSA-N 1 0 282.428 2.184 10 0 CEAERO COC(=O)[C@@]1(N2CCC[NH2+]CC2)CCC[C@H](C(C)C)CC1 ZINC000086949808 179368877 /nfs/dbraw/zinc/36/88/77/179368877.db2.gz LTRKPSUSOZTWOH-DOTOQJQBSA-N 1 0 296.455 2.430 10 0 CEAERO CCCn1nccc1[C@H]([NH3+])[C@H]1CSCCS1 ZINC000086983856 179373837 /nfs/dbraw/zinc/37/38/37/179373837.db2.gz GDNXQDXCNVHPCQ-MNOVXSKESA-N 1 0 257.428 2.142 10 0 CEAERO CC[C@@H]([NH3+])c1ccccc1OCCCS(=O)(=O)CC ZINC000086972661 179371487 /nfs/dbraw/zinc/37/14/87/179371487.db2.gz XFYNUNFEYIPZBH-CYBMUJFWSA-N 1 0 285.409 2.300 10 0 CEAERO CCS(=O)(=O)CCC[C@@](C)([NH3+])c1ccccc1F ZINC000086977344 179371963 /nfs/dbraw/zinc/37/19/63/179371963.db2.gz XJKNBLUTULWDGD-CYBMUJFWSA-N 1 0 273.373 2.215 10 0 CEAERO C[NH2+][C@@H](C)[C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000104072785 185892967 /nfs/dbraw/zinc/89/29/67/185892967.db2.gz GGWKQSZULYKEET-ZJUUUORDSA-N 1 0 261.325 2.457 10 0 CEAERO C[C@@H]1CCC[NH2+][C@H]1CNC(=O)c1c(F)cc(F)cc1F ZINC000086996422 179376875 /nfs/dbraw/zinc/37/68/75/179376875.db2.gz ISIGVBAPUYNUQS-PELKAZGASA-N 1 0 286.297 2.222 10 0 CEAERO C[C@H]1CC[C@@H](C[NH3+])CN1C(=O)c1c(F)cc(F)cc1F ZINC000086998050 179378068 /nfs/dbraw/zinc/37/80/68/179378068.db2.gz KTMFJWXMUDIHMJ-IUCAKERBSA-N 1 0 286.297 2.303 10 0 CEAERO Fc1ccc([C@@H](C[NH2+]C2CC2)O[C@@H]2CCOC2)cc1 ZINC000104115864 185897197 /nfs/dbraw/zinc/89/71/97/185897197.db2.gz LTABRHCYZBFOKN-HUUCEWRRSA-N 1 0 265.328 2.424 10 0 CEAERO C[C@H]([NH3+])Cc1nc2cc(Br)ccc2o1 ZINC000087049647 179388848 /nfs/dbraw/zinc/38/88/48/179388848.db2.gz RQMLCGDQLVCLHJ-LURJTMIESA-N 1 0 255.115 2.480 10 0 CEAERO CC(C)C[C@@H](C)OC[C@@H](O)C[NH2+]CC1(O)CCCCC1 ZINC000087029077 179382565 /nfs/dbraw/zinc/38/25/65/179382565.db2.gz NGXIDIMZNFOWOA-CABCVRRESA-N 1 0 287.444 2.083 10 0 CEAERO C[C@H]1CCC[C@@](O)(C[NH2+]Cc2ncc(Cl)n2C)C1 ZINC000087065404 179390476 /nfs/dbraw/zinc/39/04/76/179390476.db2.gz PZOGRXBFJXCNFG-GWCFXTLKSA-N 1 0 271.792 2.104 10 0 CEAERO CC[NH2+][C@@H](CCCS(C)(=O)=O)CS[C@@H](C)CC ZINC000087136843 179396722 /nfs/dbraw/zinc/39/67/22/179396722.db2.gz YLKZRWROMJNKFP-RYUDHWBXSA-N 1 0 281.487 2.321 10 0 CEAERO C[NH2+][C@@H](C)c1cccc(NC(=O)C[C@@H]2CCCO2)c1 ZINC000087209568 179401538 /nfs/dbraw/zinc/40/15/38/179401538.db2.gz OYLHCDLHCMSESA-FZMZJTMJSA-N 1 0 262.353 2.475 10 0 CEAERO C[NH2+][C@H](CC[C@@H]1CCCO1)c1ccc2c(c1)NC(=O)CO2 ZINC000087213461 179402239 /nfs/dbraw/zinc/40/22/39/179402239.db2.gz KIIAWYOVDVDUFD-QWHCGFSZSA-N 1 0 290.363 2.237 10 0 CEAERO C[C@@H]1C[NH+](CCC(=O)NCC2CCCCC2)C[C@@H](C)O1 ZINC000066861421 362890353 /nfs/dbraw/zinc/89/03/53/362890353.db2.gz UFYDSMBKMBJZMR-ZIAGYGMSSA-N 1 0 282.428 2.182 10 0 CEAERO COCC[NH2+]Cc1cc(C)nc(CSCC(C)C)n1 ZINC000087125417 179395857 /nfs/dbraw/zinc/39/58/57/179395857.db2.gz BLVJSZKGPXFOMP-UHFFFAOYSA-N 1 0 283.441 2.410 10 0 CEAERO [NH3+]C[C@@H](c1cccc(F)c1)[C@@H](O)CCc1ccco1 ZINC000087372896 179417298 /nfs/dbraw/zinc/41/72/98/179417298.db2.gz RLUKZPMUYSOEIF-GJZGRUSLSA-N 1 0 263.312 2.455 10 0 CEAERO Cc1occc1[C@@H](O)[C@@H](C[NH3+])c1ccc2c(c1)OCCO2 ZINC000087382015 179417623 /nfs/dbraw/zinc/41/76/23/179417623.db2.gz ZFRFWXBHXZYBKY-XJKSGUPXSA-N 1 0 289.331 2.135 10 0 CEAERO Cc1cc(C(=O)N[C@@H](C[NH3+])C(C)C)c2ccccc2n1 ZINC000087403146 179419593 /nfs/dbraw/zinc/41/95/93/179419593.db2.gz TUHCSCMZYGYGGV-HNNXBMFYSA-N 1 0 271.364 2.256 10 0 CEAERO CC[C@H](Cn1ccnc1-c1ccoc1)[NH+]1CCOCC1 ZINC000067675470 362918555 /nfs/dbraw/zinc/91/85/55/362918555.db2.gz AIXQMCQSBVWIDB-CQSZACIVSA-N 1 0 275.352 2.254 10 0 CEAERO c1cc2cc(CN3CC[C@H]4CC[C@@H](C3)[NH2+]4)ccc2[nH]1 ZINC000067714259 362919826 /nfs/dbraw/zinc/91/98/26/362919826.db2.gz REUGEOJRQPKKRU-CABCVRRESA-N 1 0 255.365 2.494 10 0 CEAERO CN(CC[N@@H+]1CCCC[C@H]1CCO)Cc1ccc(F)cc1 ZINC000248596633 539637933 /nfs/dbraw/zinc/63/79/33/539637933.db2.gz SZCRBZUHYXBZDS-KRWDZBQOSA-N 1 0 294.414 2.494 10 0 CEAERO CN(CCOc1ccc(F)cc1)C(=O)C(C)(C)C(C)(C)[NH3+] ZINC000087627914 179458977 /nfs/dbraw/zinc/45/89/77/179458977.db2.gz JQOBSYAJUGZPLZ-UHFFFAOYSA-N 1 0 296.386 2.426 10 0 CEAERO COCCOc1ccc(NC(=O)C(C)(C)C(C)(C)[NH3+])cc1 ZINC000087627747 179459101 /nfs/dbraw/zinc/45/91/01/179459101.db2.gz BRZDQLMYONHYNU-UHFFFAOYSA-N 1 0 294.395 2.414 10 0 CEAERO C[C@H](CC[NH3+])c1nc([C@H]2CSCCS2)no1 ZINC000087634336 179460207 /nfs/dbraw/zinc/46/02/07/179460207.db2.gz VZJRKYWPVGXVCO-HTQZYQBOSA-N 1 0 259.400 2.043 10 0 CEAERO C[NH2+][C@H]1CCCN(c2nc(C(C)(C)C)ns2)C1 ZINC000087642510 179462243 /nfs/dbraw/zinc/46/22/43/179462243.db2.gz RBMQWGYDJKFHIN-VIFPVBQESA-N 1 0 254.403 2.024 10 0 CEAERO CNC(=O)c1ccc(NC(=O)[C@H](C)CCC[C@H](C)[NH3+])cc1 ZINC000087686122 179470057 /nfs/dbraw/zinc/47/00/57/179470057.db2.gz MDCIKBVLRJKGGG-NEPJUHHUSA-N 1 0 291.395 2.138 10 0 CEAERO COc1ccc(NC(=O)[C@H](C)CCC[C@@H](C)[NH3+])cn1 ZINC000087682685 179470485 /nfs/dbraw/zinc/47/04/85/179470485.db2.gz YSUCVWLBOUESNI-GHMZBOCLSA-N 1 0 265.357 2.182 10 0 CEAERO CCC[NH2+]C[C@@H](C)Cc1c(C)nc(CCOC)nc1C ZINC000087707314 179474814 /nfs/dbraw/zinc/47/48/14/179474814.db2.gz JCNGGMUYTSFJOW-LBPRGKRZSA-N 1 0 279.428 2.461 10 0 CEAERO O=C(N[C@@H]1CCCC[NH2+]C1)c1sccc1Cl ZINC000087722013 179476947 /nfs/dbraw/zinc/47/69/47/179476947.db2.gz FQYUZERAOOAUCN-MRVPVSSYSA-N 1 0 258.774 2.273 10 0 CEAERO CCC[NH2+]CCOCCc1ccc(OC)c(OC)c1 ZINC000087730440 179479132 /nfs/dbraw/zinc/47/91/32/179479132.db2.gz KIUKBDXHPMUCAR-UHFFFAOYSA-N 1 0 267.369 2.263 10 0 CEAERO [NH3+]CCc1cccc(-c2nc([C@@H]3CCCO3)no2)c1 ZINC000087800877 179487232 /nfs/dbraw/zinc/48/72/32/179487232.db2.gz TXXZBFBFXRJZKO-LBPRGKRZSA-N 1 0 259.309 2.089 10 0 CEAERO COCCOCc1cccc(NC(=O)[C@@H](C[NH3+])C(C)C)c1 ZINC000087523205 179440063 /nfs/dbraw/zinc/44/00/63/179440063.db2.gz DYESDDSJUPGWPZ-HNNXBMFYSA-N 1 0 294.395 2.019 10 0 CEAERO CCC(=O)Nc1cccc(NC(=O)[C@H](CC)C[NH3+])c1C ZINC000087522283 179440226 /nfs/dbraw/zinc/44/02/26/179440226.db2.gz VXYYNNFWYNSIKJ-LLVKDONJSA-N 1 0 277.368 2.267 10 0 CEAERO CCOc1ccc([C@@H](C)NC(=O)[C@@H](CC)C[NH3+])cc1 ZINC000087522553 179440389 /nfs/dbraw/zinc/44/03/89/179440389.db2.gz SOSMAUBSWHVBQL-NEPJUHHUSA-N 1 0 264.369 2.247 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)NCc1ccc(OC(F)F)cc1 ZINC000087531440 179441949 /nfs/dbraw/zinc/44/19/49/179441949.db2.gz YIGWVZCYDYHSEP-NSHDSACASA-N 1 0 286.322 2.279 10 0 CEAERO [NH3+][C@H](Cc1ccn(C2CCCCC2)n1)[C@H]1CCOC1 ZINC000087804421 179488946 /nfs/dbraw/zinc/48/89/46/179488946.db2.gz RTCIQXLIQFYFDZ-SWLSCSKDSA-N 1 0 263.385 2.295 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)Nc1ccccc1[C@H](C)O ZINC000087533234 179442407 /nfs/dbraw/zinc/44/24/07/179442407.db2.gz SVNSJKFERGNRHZ-WDEREUQCSA-N 1 0 250.342 2.053 10 0 CEAERO CC[NH2+][C@@](C)(CC(=O)OC)c1ccc(F)c(F)c1 ZINC000087553676 179445937 /nfs/dbraw/zinc/44/59/37/179445937.db2.gz IGTARGWMHMLSNI-ZDUSSCGKSA-N 1 0 257.280 2.353 10 0 CEAERO CCC[NH2+][C@](C)(CCO)c1ccc(OC)c(F)c1 ZINC000087563689 179446252 /nfs/dbraw/zinc/44/62/52/179446252.db2.gz JCDWSILZWIVKCZ-CQSZACIVSA-N 1 0 255.333 2.432 10 0 CEAERO C[NH2+]C1(Cc2nc3ccccc3n2CCO)CCCCC1 ZINC000087571344 179447848 /nfs/dbraw/zinc/44/78/48/179447848.db2.gz AUSWQERALRWZFY-UHFFFAOYSA-N 1 0 287.407 2.493 10 0 CEAERO Cc1cc(CNC(=O)C[C@H]2CCC[NH2+]C2)sc1C ZINC000087578166 179450115 /nfs/dbraw/zinc/45/01/15/179450115.db2.gz KWCDMWKAXGWPEA-GFCCVEGCSA-N 1 0 266.410 2.371 10 0 CEAERO C[C@H]1CCC[C@H](S(=O)(=O)CCC(C)(C)C[NH3+])C1 ZINC000087596353 179452625 /nfs/dbraw/zinc/45/26/25/179452625.db2.gz JNGXIMBZQRLOCO-RYUDHWBXSA-N 1 0 261.431 2.355 10 0 CEAERO CCc1nc(NC[C@@H]2CCCCS2)cc(NN)[nH+]1 ZINC000087907197 179517127 /nfs/dbraw/zinc/51/71/27/179517127.db2.gz ABKMJYBNUGFIHB-VIFPVBQESA-N 1 0 267.402 2.022 10 0 CEAERO [NH3+]CCN1CCCC[C@@H](c2cc3ccccc3nn2)C1 ZINC000616631191 348541088 /nfs/dbraw/zinc/54/10/88/348541088.db2.gz YGXQLGCKXDWEEH-CQSZACIVSA-N 1 0 270.380 2.158 10 0 CEAERO CC(C)(C)[N@@H+]1CCOC[C@@H]1c1cccc(CCO)c1 ZINC000616636353 348542323 /nfs/dbraw/zinc/54/23/23/348542323.db2.gz FCPGEORNKYYUFX-OAHLLOKOSA-N 1 0 263.381 2.393 10 0 CEAERO CCc1nn(C)c(C[C@H]2CC[C@@H]2C[NH3+])c1Br ZINC000087942859 179528214 /nfs/dbraw/zinc/52/82/14/179528214.db2.gz LKMUAGWWYNUKBF-RKDXNWHRSA-N 1 0 286.217 2.272 10 0 CEAERO CC(C)(C)OC(=O)NC[C@@H]1CCOCC[N@@H+]1C(C)(C)C ZINC000616656079 348549923 /nfs/dbraw/zinc/54/99/23/348549923.db2.gz IAFGKRHBDKIAEN-LBPRGKRZSA-N 1 0 286.416 2.401 10 0 CEAERO CCCCCN(C)c1nc(NN)[nH+]cc1Br ZINC000087852746 179501052 /nfs/dbraw/zinc/50/10/52/179501052.db2.gz CQJYXZBLOCOART-UHFFFAOYSA-N 1 0 288.193 2.151 10 0 CEAERO CCCc1c(NN)[nH+]cnc1N(CC)[C@@H](C)CC ZINC000087852688 179501148 /nfs/dbraw/zinc/50/11/48/179501148.db2.gz KOTOMWJCPYLCKA-JTQLQIEISA-N 1 0 251.378 2.340 10 0 CEAERO CCCc1ncc(C(=O)OC)c([C@@H]2CCCC[NH2+]2)n1 ZINC000616580671 348525983 /nfs/dbraw/zinc/52/59/83/348525983.db2.gz ZSZSJVFIXZGSKI-NSHDSACASA-N 1 0 263.341 2.030 10 0 CEAERO [NH3+]CCN1CCc2ccccc2[C@@H]1c1cccc(C(=O)[O-])c1 ZINC000616583634 348526291 /nfs/dbraw/zinc/52/62/91/348526291.db2.gz FXWQQFBIFLUTGF-KRWDZBQOSA-N 1 0 296.370 2.291 10 0 CEAERO OCCc1cccc([C@@H]2[NH2+]CCc3ccccc32)c1 ZINC000616587296 348527090 /nfs/dbraw/zinc/52/70/90/348527090.db2.gz KLBDFJCHBDPBKK-KRWDZBQOSA-N 1 0 253.345 2.457 10 0 CEAERO CC[N@@H+]1CCOCC[C@@H]1c1ccc2nnccc2c1 ZINC000616598153 348529459 /nfs/dbraw/zinc/52/94/59/348529459.db2.gz HATFMXZURJQUJN-OAHLLOKOSA-N 1 0 257.337 2.413 10 0 CEAERO CC(C)[N@@H+]1CCOC[C@@H](c2ccc3nnccc3c2)C1 ZINC000616598044 348529598 /nfs/dbraw/zinc/52/95/98/348529598.db2.gz NTJUXLKMXRJNMS-HNNXBMFYSA-N 1 0 271.364 2.454 10 0 CEAERO CCCCN(CCCC)c1nc(NN)[nH+]cc1F ZINC000087884171 179509697 /nfs/dbraw/zinc/50/96/97/179509697.db2.gz XHTVZZUQWVRUEP-UHFFFAOYSA-N 1 0 255.341 2.308 10 0 CEAERO OCCc1ccccc1[C@@H]1C[NH2+]CCN1Cc1ccccc1 ZINC000616603826 348532039 /nfs/dbraw/zinc/53/20/39/348532039.db2.gz GVXPUBFMULIAQI-IBGZPJMESA-N 1 0 296.414 2.368 10 0 CEAERO CC(C)(C)N1CC[NH2+]C[C@H]1c1cnnc2ccccc21 ZINC000616605462 348532839 /nfs/dbraw/zinc/53/28/39/348532839.db2.gz YIKDZOBHGCLCND-HNNXBMFYSA-N 1 0 270.380 2.375 10 0 CEAERO CC(C)(C)[N@@H+]1CCOC[C@@H](c2cccc(CO)c2)C1 ZINC000616658991 348551222 /nfs/dbraw/zinc/55/12/22/348551222.db2.gz APMFRRKSYDREEX-HNNXBMFYSA-N 1 0 263.381 2.393 10 0 CEAERO CCOC(=O)c1ccc([C@H]2COCC[N@H+](CC)C2)cc1 ZINC000616659237 348551382 /nfs/dbraw/zinc/55/13/82/348551382.db2.gz IFRDSXLXUHJVGD-OAHLLOKOSA-N 1 0 277.364 2.299 10 0 CEAERO CCC1(CC)CCN(c2nc(NN)[nH+]cc2Cl)C1 ZINC000087894711 179514916 /nfs/dbraw/zinc/51/49/16/179514916.db2.gz OGDYGTVIZDWMCM-UHFFFAOYSA-N 1 0 269.780 2.432 10 0 CEAERO CCOC(=O)c1cccc([C@@H]2CCC[N@H+](CCO)C2)c1 ZINC000616620203 348536669 /nfs/dbraw/zinc/53/66/69/348536669.db2.gz IXYHCAHVFAMFOP-OAHLLOKOSA-N 1 0 277.364 2.035 10 0 CEAERO OCC[N@@H+]1CCC[C@@H](c2ccc3ccccc3n2)C1 ZINC000616620744 348537172 /nfs/dbraw/zinc/53/71/72/348537172.db2.gz MZTVMHQXZCUPEZ-CQSZACIVSA-N 1 0 256.349 2.407 10 0 CEAERO Nc1cc[nH+]cc1C[C@@H](O)[C@@H]1CCc2ccccc21 ZINC000088016130 179535763 /nfs/dbraw/zinc/53/57/63/179535763.db2.gz REMPIPSVWBNIGW-GDBMZVCRSA-N 1 0 254.333 2.297 10 0 CEAERO C[NH2+][C@@H](c1ccnn1C)[C@@H]1CCOc2ccccc21 ZINC000088020117 179536736 /nfs/dbraw/zinc/53/67/36/179536736.db2.gz WCMMISABIOKGRB-IUODEOHRSA-N 1 0 257.337 2.247 10 0 CEAERO C[NH2+][C@@H](Cc1cccnc1N)[C@@H]1CCOc2ccccc21 ZINC000088020017 179536830 /nfs/dbraw/zinc/53/68/30/179536830.db2.gz XVAAEFPZQKBFKT-HIFRSBDPSA-N 1 0 283.375 2.361 10 0 CEAERO C[NH2+][C@H](Cc1cnn(C)c1)[C@H]1CCc2ccccc21 ZINC000088030966 179537007 /nfs/dbraw/zinc/53/70/07/179537007.db2.gz NYZZROYXUPTIHY-JKSUJKDBSA-N 1 0 255.365 2.281 10 0 CEAERO CC[C@H]([NH3+])Cc1cnc([C@@H]2COc3ccccc3C2)nc1 ZINC000088040639 179537719 /nfs/dbraw/zinc/53/77/19/179537719.db2.gz WBCJYNZGAGHHFG-GJZGRUSLSA-N 1 0 283.375 2.475 10 0 CEAERO C[C@H]1CN(Cc2nnc(-c3ccccc3Cl)o2)CC[NH2+]1 ZINC000088060364 179543183 /nfs/dbraw/zinc/54/31/83/179543183.db2.gz VNHISXRRPFQMCJ-JTQLQIEISA-N 1 0 292.770 2.184 10 0 CEAERO C[C@H](C[NH3+])[S@@](=O)Cc1sccc1Br ZINC000088068235 179543900 /nfs/dbraw/zinc/54/39/00/179543900.db2.gz SNWXUALXUBYIGB-CAAJLBCPSA-N 1 0 282.228 2.107 10 0 CEAERO C[C@@H]([NH3+])C[S@](=O)Cc1ccc(Br)cc1F ZINC000088069841 179544150 /nfs/dbraw/zinc/54/41/50/179544150.db2.gz DARZVADCMBAWKO-KWKYVRJSSA-N 1 0 294.189 2.184 10 0 CEAERO C[C@H](CC[NH3+])[S@](=O)Cc1cc(Br)cs1 ZINC000088087517 179546335 /nfs/dbraw/zinc/54/63/35/179546335.db2.gz XNOULMLXYVJGFY-UOWDBTKRSA-N 1 0 296.255 2.497 10 0 CEAERO CNC(=O)[C@H](C)[NH2+][C@H]1CCc2sc(Cl)cc21 ZINC000088117157 179551277 /nfs/dbraw/zinc/55/12/77/179551277.db2.gz UPUSQLDFGIXTLT-XPUUQOCRSA-N 1 0 258.774 2.113 10 0 CEAERO CCOC(=O)[C@H](C)Oc1cccc2c1CCC[C@@H]2[NH3+] ZINC000088151225 179557738 /nfs/dbraw/zinc/55/77/38/179557738.db2.gz QOGVJNJNOKMCCT-GWCFXTLKSA-N 1 0 263.337 2.353 10 0 CEAERO [NH3+]CCN1C[C@@H](c2cccc(CO)c2)Cc2ccccc21 ZINC000616672521 348556732 /nfs/dbraw/zinc/55/67/32/348556732.db2.gz QCMIGRCHALAFEL-KRWDZBQOSA-N 1 0 282.387 2.284 10 0 CEAERO C[C@@H]([NH3+])CCc1nc([C@H]2COc3ccccc3C2)no1 ZINC000087996351 179532563 /nfs/dbraw/zinc/53/25/63/179532563.db2.gz YNRWMFJDBCDXKF-ZYHUDNBSSA-N 1 0 273.336 2.068 10 0 CEAERO COc1ccccc1OCC[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000088401536 179593211 /nfs/dbraw/zinc/59/32/11/179593211.db2.gz WQMBMOACOJDWOQ-KBPBESRZSA-N 1 0 279.380 2.215 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1cnn(C)c1)N(C)CCC(F)(F)F ZINC000088416351 179596098 /nfs/dbraw/zinc/59/60/98/179596098.db2.gz VYCCLFUZZOETAA-GHMZBOCLSA-N 1 0 278.322 2.083 10 0 CEAERO Cc1ccc(CN(C)C(=O)[C@H]2C[NH2+]C[C@H](C)C2)cc1 ZINC000088449764 179606189 /nfs/dbraw/zinc/60/61/89/179606189.db2.gz FITDIAQFQDOQJE-UKRRQHHQSA-N 1 0 260.381 2.199 10 0 CEAERO CC(C)[NH2+]CCS(=O)(=O)N1CCCCc2ccccc21 ZINC000088337514 179579693 /nfs/dbraw/zinc/57/96/93/179579693.db2.gz SNIAZHGWHZXTMP-UHFFFAOYSA-N 1 0 296.436 2.157 10 0 CEAERO Cc1csc(SC[C@@H](O)[C@H]([NH3+])Cc2ccccc2)n1 ZINC000088398315 179592037 /nfs/dbraw/zinc/59/20/37/179592037.db2.gz KVTLEPNOHJOEGP-CHWSQXEVSA-N 1 0 294.445 2.475 10 0 CEAERO CCOC(=O)CC[C@@H]([NH3+])Cc1cccc(COC)c1 ZINC000088553010 179622432 /nfs/dbraw/zinc/62/24/32/179622432.db2.gz YYVSDZGMKYMZGA-CQSZACIVSA-N 1 0 265.353 2.046 10 0 CEAERO CC(C)n1ncnc1COc1cccc([C@H](C)[NH3+])c1 ZINC000088585344 179631306 /nfs/dbraw/zinc/63/13/06/179631306.db2.gz GHCBBJXFCZQLEE-NSHDSACASA-N 1 0 260.341 2.458 10 0 CEAERO CC(C)Cn1ncnc1C[C@@H]([NH3+])c1cccc(F)c1 ZINC000088609982 179637437 /nfs/dbraw/zinc/63/74/37/179637437.db2.gz LDYZCOXTRYLENT-CYBMUJFWSA-N 1 0 262.332 2.316 10 0 CEAERO CC[NH2+][C@H](Cc1ncnn1CC)Cc1ccccc1 ZINC000088610357 179637823 /nfs/dbraw/zinc/63/78/23/179637823.db2.gz VBZYKXMNYJTFOG-AWEZNQCLSA-N 1 0 258.369 2.061 10 0 CEAERO CCCn1ncnc1C[C@@H](C[NH3+])Cc1cccc(C)c1 ZINC000088619996 179640740 /nfs/dbraw/zinc/64/07/40/179640740.db2.gz PQNDWIKFLKALAK-HNNXBMFYSA-N 1 0 272.396 2.357 10 0 CEAERO CCC[C@H]1CN(Cc2ncnn2CC)C2(CCCC2)C[NH2+]1 ZINC000088625174 179641874 /nfs/dbraw/zinc/64/18/74/179641874.db2.gz JBTNXPRCCMQVIB-AWEZNQCLSA-N 1 0 291.443 2.185 10 0 CEAERO CCC[C@@H]1C[NH2+][C@H](CC)CN1Cc1ncnn1C(C)C ZINC000088625322 179642694 /nfs/dbraw/zinc/64/26/94/179642694.db2.gz QSUMULDRXZDPAI-ZIAGYGMSSA-N 1 0 279.432 2.212 10 0 CEAERO CCCn1ncnc1CN1C[C@@](C)(CC)[NH2+]C[C@@H]1C1CC1 ZINC000088625584 179642708 /nfs/dbraw/zinc/64/27/08/179642708.db2.gz QISYTBDESAKCHH-GDBMZVCRSA-N 1 0 291.443 2.041 10 0 CEAERO C[NH2+][C@@H](Cc1ccncc1)c1ccc2c(c1)OCO2 ZINC000088526482 179618443 /nfs/dbraw/zinc/61/84/43/179618443.db2.gz YAFHBIUYBCABEJ-ZDUSSCGKSA-N 1 0 256.305 2.314 10 0 CEAERO CCOC[C@H]([NH3+])Cc1ccc(OC(F)(F)F)cc1 ZINC000088737747 179661602 /nfs/dbraw/zinc/66/16/02/179661602.db2.gz CGVUZWBXSGDUHU-SNVBAGLBSA-N 1 0 263.259 2.492 10 0 CEAERO CCC[NH2+][C@H]1CCC[C@@H]1n1nc(CC)nc1CC ZINC000088740618 179662013 /nfs/dbraw/zinc/66/20/13/179662013.db2.gz KJRNEHBIBAUFDV-RYUDHWBXSA-N 1 0 250.390 2.496 10 0 CEAERO CCc1nc(CC)n([C@@H]2COc3ccccc3[C@@H]2[NH2+]C)n1 ZINC000088740640 179662243 /nfs/dbraw/zinc/66/22/43/179662243.db2.gz GDKCZLGNBFHKHV-WBMJQRKESA-N 1 0 286.379 2.297 10 0 CEAERO CC[C@H]1CCCN1S(=O)(=O)c1cc(C[NH2+]C)cs1 ZINC000088972802 179687937 /nfs/dbraw/zinc/68/79/37/179687937.db2.gz DCUBVVVIRLLFAB-NSHDSACASA-N 1 0 288.438 2.031 10 0 CEAERO O=S(=O)(NC1CCCC1)c1cccc(C[NH2+]C2CC2)c1 ZINC000088981120 179689725 /nfs/dbraw/zinc/68/97/25/179689725.db2.gz LYQLPHHSQYWDFF-UHFFFAOYSA-N 1 0 294.420 2.160 10 0 CEAERO Cc1c(C[NH3+])cccc1S(=O)(=O)NC1(C)CCCCC1 ZINC000089013305 179691307 /nfs/dbraw/zinc/69/13/07/179691307.db2.gz FZOUMJWVEIKROV-UHFFFAOYSA-N 1 0 296.436 2.455 10 0 CEAERO Cc1ccccc1N(C)S(=O)(=O)CCCC[NH2+]C1CC1 ZINC000089015189 179692015 /nfs/dbraw/zinc/69/20/15/179692015.db2.gz GOBFYFJRDOMTLA-UHFFFAOYSA-N 1 0 296.436 2.293 10 0 CEAERO CS(=O)(=O)c1ccc(N[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000089108739 179704752 /nfs/dbraw/zinc/70/47/52/179704752.db2.gz PYSOFUHGQWBXJA-SMDDNHRTSA-N 1 0 282.409 2.020 10 0 CEAERO CN(C(=O)COc1cccc(Cl)c1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089110498 179705200 /nfs/dbraw/zinc/70/52/00/179705200.db2.gz ZRYIBMSKZQFQRW-BXUZGUMPSA-N 1 0 296.798 2.305 10 0 CEAERO CCN(C(=O)c1ccc(C)c(O)c1)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089113833 179707931 /nfs/dbraw/zinc/70/79/31/179707931.db2.gz SRWBFSIHYIBPRJ-KGLIPLIRSA-N 1 0 276.380 2.290 10 0 CEAERO C[C@]1(CNc2nccc(C(F)(F)F)n2)CCC[NH2+]C1 ZINC000129324549 187423370 /nfs/dbraw/zinc/42/33/70/187423370.db2.gz LMPPBYFUUPYUML-NSHDSACASA-N 1 0 274.290 2.297 10 0 CEAERO CCn1nc(Cn2cc(C[C@@H](C)[NH3+])cn2)c2ccccc21 ZINC000089179241 179744177 /nfs/dbraw/zinc/74/41/77/179744177.db2.gz DVGVQTCGQZBNMI-GFCCVEGCSA-N 1 0 283.379 2.191 10 0 CEAERO CCc1cc(CN(CCC[NH3+])c2cccc(F)c2)n(C)n1 ZINC000089181625 179745231 /nfs/dbraw/zinc/74/52/31/179745231.db2.gz CAEBACYZCSPYDX-UHFFFAOYSA-N 1 0 290.386 2.477 10 0 CEAERO Cc1cc(COc2cc(F)ccc2[C@@H](C)[NH3+])n(C)n1 ZINC000089181522 179745309 /nfs/dbraw/zinc/74/53/09/179745309.db2.gz CGRQUIVZVDUFCF-SNVBAGLBSA-N 1 0 263.316 2.466 10 0 CEAERO Cc1cc(Sc2nnnn2C)ccc1C[NH2+]C(C)C ZINC000104302788 185961054 /nfs/dbraw/zinc/96/10/54/185961054.db2.gz CKNDSZMEVZIPGC-UHFFFAOYSA-N 1 0 277.397 2.168 10 0 CEAERO CCC[NH2+][C@@H](Cc1c(Cl)c(C)nn1C)c1ccn(C)n1 ZINC000089252142 179761011 /nfs/dbraw/zinc/76/10/11/179761011.db2.gz IJTRQDNTYPTIGH-LBPRGKRZSA-N 1 0 295.818 2.399 10 0 CEAERO C[C@H]1C[C@@H](O)C[N@H+](CCSc2ccccc2)C1 ZINC000401597178 233183212 /nfs/dbraw/zinc/18/32/12/233183212.db2.gz WTZGVFJDLUVKQE-QWHCGFSZSA-N 1 0 251.395 2.481 10 0 CEAERO CCC[NH2+][C@@H](Cc1cc(CC)nn1C)C[C@@H]1CCCO1 ZINC000089193185 179749664 /nfs/dbraw/zinc/74/96/64/179749664.db2.gz NPLWJJCCEOLYSL-HOCLYGCPSA-N 1 0 279.428 2.462 10 0 CEAERO Cc1cc(C[C@@H]([NH3+])C2(c3ccccc3)CC2)n(C)n1 ZINC000089194534 179750227 /nfs/dbraw/zinc/75/02/27/179750227.db2.gz QJXZULNVONSQIQ-OAHLLOKOSA-N 1 0 255.365 2.330 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000089449206 539716337 /nfs/dbraw/zinc/71/63/37/539716337.db2.gz DNOSJVGCNUQSQX-WCBMZHEXSA-N 1 0 298.289 2.322 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000089448942 539716364 /nfs/dbraw/zinc/71/63/64/539716364.db2.gz QLZHYZKWXXSPRK-DGCLKSJQSA-N 1 0 290.363 2.161 10 0 CEAERO CCc1cc(Cn2ccc(C[NH2+]C(C)(C)C)n2)n(C)n1 ZINC000089207567 179754301 /nfs/dbraw/zinc/75/43/01/179754301.db2.gz IUSFVNHLHOCVLH-UHFFFAOYSA-N 1 0 275.400 2.115 10 0 CEAERO Cc1cc(CN2C[C@@H](C)[NH2+]C[C@@H]2C2CCCCC2)n(C)n1 ZINC000089208896 179754765 /nfs/dbraw/zinc/75/47/65/179754765.db2.gz LOLQAWSUACOIIO-RHSMWYFYSA-N 1 0 290.455 2.471 10 0 CEAERO CCc1nn(CC)c(CC[C@H](COC)[NH2+]C)c1Cl ZINC000089352322 179772146 /nfs/dbraw/zinc/77/21/46/179772146.db2.gz CFEVUNDLGPHUTC-SNVBAGLBSA-N 1 0 273.808 2.286 10 0 CEAERO C[C@H](OCc1ccccc1)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000404490427 233192953 /nfs/dbraw/zinc/19/29/53/233192953.db2.gz AKWUWUNHWMFSGX-BBRMVZONSA-N 1 0 290.407 2.225 10 0 CEAERO CCn1nc(C)c(Cl)c1CN(CCC(N)=[NH2+])C1CC1 ZINC000089279179 179764340 /nfs/dbraw/zinc/76/43/40/179764340.db2.gz YVIWEHGMADCWMS-UHFFFAOYSA-N 1 0 283.807 2.155 10 0 CEAERO CCn1nc(C)c(Cl)c1C[C@@H]([NH3+])C[C@@H]1CCCO1 ZINC000089294538 179766217 /nfs/dbraw/zinc/76/62/17/179766217.db2.gz YEEPDAUJEOTTKY-QWRGUYRKSA-N 1 0 271.792 2.304 10 0 CEAERO CC[NH2+][C@H](COCC)Cc1c(Cl)c(C)nn1CC ZINC000089298652 179766784 /nfs/dbraw/zinc/76/67/84/179766784.db2.gz UIQNVKCHXUBGOO-NSHDSACASA-N 1 0 273.808 2.422 10 0 CEAERO CCOc1ccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])cc1OC ZINC000089452933 179792932 /nfs/dbraw/zinc/79/29/32/179792932.db2.gz RGABTCYMECNLPI-AAEUAGOBSA-N 1 0 292.379 2.407 10 0 CEAERO COc1ccccc1C[C@H](C)NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089454858 179794004 /nfs/dbraw/zinc/79/40/04/179794004.db2.gz XMCJVLKRFGUMMU-CFVMTHIKSA-N 1 0 290.407 2.117 10 0 CEAERO CCCC1CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089461424 179796108 /nfs/dbraw/zinc/79/61/08/179796108.db2.gz RFIRQBXOFRUBNV-UONOGXRCSA-N 1 0 252.402 2.400 10 0 CEAERO CC1(CNc2ccc(C(F)(F)F)nn2)CC[NH2+]CC1 ZINC000129469689 187433160 /nfs/dbraw/zinc/43/31/60/187433160.db2.gz VIXFJCOVEMIOQI-UHFFFAOYSA-N 1 0 274.290 2.297 10 0 CEAERO OC[C@H]1CCC[C@H]1C[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000089495804 179803604 /nfs/dbraw/zinc/80/36/04/179803604.db2.gz FPPJKFARVHEPOK-LSDHHAIUSA-N 1 0 291.391 2.346 10 0 CEAERO CCOc1ccccc1OCC[NH2+]C[C@H]1CCC[C@H]1CO ZINC000089498598 179804633 /nfs/dbraw/zinc/80/46/33/179804633.db2.gz VDUNIOVKEMRBFQ-CABCVRRESA-N 1 0 293.407 2.462 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1CNC(=O)CCc1ccccc1 ZINC000089500688 179804852 /nfs/dbraw/zinc/80/48/52/179804852.db2.gz BSWPDQIFTRYEDY-GJZGRUSLSA-N 1 0 260.381 2.110 10 0 CEAERO COc1ccc(C)cc1C(=O)NC[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089500806 179805472 /nfs/dbraw/zinc/80/54/72/179805472.db2.gz MEYGCXLSUJVNRX-OLZOCXBDSA-N 1 0 276.380 2.108 10 0 CEAERO Cc1cccc(NC(=O)NC[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089500863 179805635 /nfs/dbraw/zinc/80/56/35/179805635.db2.gz YLMREVNRWXXLDE-CHWSQXEVSA-N 1 0 261.369 2.492 10 0 CEAERO OC[C@@H]1CCCC[C@H]1C[NH2+]CCCOCC(F)(F)F ZINC000089526782 179809895 /nfs/dbraw/zinc/80/98/95/179809895.db2.gz RJUYLMHLGRUOJY-RYUDHWBXSA-N 1 0 283.334 2.344 10 0 CEAERO O=C(C[C@@H]1CC[NH2+]C1)NC1CCC(C(F)(F)F)CC1 ZINC000089743058 539730500 /nfs/dbraw/zinc/73/05/00/539730500.db2.gz RKSLVBRVCYOIRD-WHXUTIOJSA-N 1 0 278.318 2.223 10 0 CEAERO C[C@H](NC(=O)C[C@@H]1CC[NH2+]C1)c1ccc(F)cc1F ZINC000089741911 179857754 /nfs/dbraw/zinc/85/77/54/179857754.db2.gz WEXGYVDUYHQKAA-UWVGGRQHSA-N 1 0 268.307 2.142 10 0 CEAERO COC1CC[NH+](C[C@@]2(CO)CCC[C@H](C)C2)CC1 ZINC000089629775 179833071 /nfs/dbraw/zinc/83/30/71/179833071.db2.gz DTQQOTNUHKFUCF-DZGCQCFKSA-N 1 0 255.402 2.286 10 0 CEAERO Cn1ncnc1C[C@@H]([NH3+])CSc1ccc(Cl)cc1 ZINC000090245270 179939642 /nfs/dbraw/zinc/93/96/42/179939642.db2.gz OPXHPQQOTNAFDM-SNVBAGLBSA-N 1 0 282.800 2.131 10 0 CEAERO COC(C[C@](C)(C[NH3+])Nc1ccccc1C)OC ZINC000090266176 179942753 /nfs/dbraw/zinc/94/27/53/179942753.db2.gz VFVRWCATYSFKNY-CQSZACIVSA-N 1 0 252.358 2.133 10 0 CEAERO COc1ccc(C)cc1C(=O)N1C[C@@H]2C[NH2+]C[C@@H]2C1(C)C ZINC000090336566 179965061 /nfs/dbraw/zinc/96/50/61/179965061.db2.gz GRFXGJVGUAWKPV-JSGCOSHPSA-N 1 0 288.391 2.074 10 0 CEAERO Cc1ccsc1C(=O)N1C[C@@H]2C[NH2+]C[C@@H]2C1(C)C ZINC000090335755 179965199 /nfs/dbraw/zinc/96/51/99/179965199.db2.gz VCJBIOFIWWLLJC-QWRGUYRKSA-N 1 0 264.394 2.127 10 0 CEAERO C[C@@H]([NH3+])CCSCC(=O)N(C)C1CCCCC1 ZINC000090346031 179970309 /nfs/dbraw/zinc/97/03/09/179970309.db2.gz KQHXNDSUOUASSP-LLVKDONJSA-N 1 0 258.431 2.248 10 0 CEAERO CC[C@H]1CCCCN1C(=O)CS[C@@H](C)CC[NH3+] ZINC000090354633 179973350 /nfs/dbraw/zinc/97/33/50/179973350.db2.gz FTEOJFNODHEDPK-RYUDHWBXSA-N 1 0 258.431 2.248 10 0 CEAERO C[C@H](CC[NH3+])SCC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000090355047 179974290 /nfs/dbraw/zinc/97/42/90/179974290.db2.gz JBPQDCCSEGEXNT-MNOVXSKESA-N 1 0 284.400 2.473 10 0 CEAERO CC[NH2+][C@@H]1COC[C@H]1C(=O)N1CCC[C@H](C(C)(C)C)CC1 ZINC000090492914 179991895 /nfs/dbraw/zinc/99/18/95/179991895.db2.gz XXYMKSRAFKPKDD-RRFJBIMHSA-N 1 0 296.455 2.286 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc(C)cc1F ZINC000090539541 180000456 /nfs/dbraw/zinc/00/04/56/180000456.db2.gz DLVOGTSLILTAAJ-RISCZKNCSA-N 1 0 280.343 2.087 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)NCCC1=CCCCC1 ZINC000090540073 180000483 /nfs/dbraw/zinc/00/04/83/180000483.db2.gz MTBFYWZYIQKNPI-CABCVRRESA-N 1 0 280.412 2.008 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)NC1CCCCCCC1 ZINC000090538654 180000487 /nfs/dbraw/zinc/00/04/87/180000487.db2.gz FPFHHKMHQSAVCU-HUUCEWRRSA-N 1 0 282.428 2.230 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1nc(C(C)C)cs1 ZINC000090543837 180000678 /nfs/dbraw/zinc/00/06/78/180000678.db2.gz LFTKMIBHPYBIBX-QWRGUYRKSA-N 1 0 297.424 2.220 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)N(CCC(C)C)C1CC1 ZINC000090541818 180000908 /nfs/dbraw/zinc/00/09/08/180000908.db2.gz DKYKROSROGLQIY-HUUCEWRRSA-N 1 0 282.428 2.038 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)N(C)c1ccc(C)cc1C ZINC000090544416 180001042 /nfs/dbraw/zinc/00/10/42/180001042.db2.gz WQDJCQJNRLCZMJ-GJZGRUSLSA-N 1 0 290.407 2.281 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000090543235 180001296 /nfs/dbraw/zinc/00/12/96/180001296.db2.gz GNIJDCDJGCXYFR-GLQYFDAESA-N 1 0 294.370 2.018 10 0 CEAERO COc1ccc(N)cc1OCC[NH+]1CCCCC1 ZINC000090548152 180001682 /nfs/dbraw/zinc/00/16/82/180001682.db2.gz KTSZNTFCOMFPLC-UHFFFAOYSA-N 1 0 250.342 2.142 10 0 CEAERO Fc1ccc(-c2nnc(CSCC3C[NH2+]C3)o2)cc1 ZINC000090712480 180028669 /nfs/dbraw/zinc/02/86/69/180028669.db2.gz MJNYBHAMVNFWAY-UHFFFAOYSA-N 1 0 279.340 2.328 10 0 CEAERO Cc1ccc(-c2nc(CSCC3C[NH2+]C3)no2)cc1 ZINC000090713097 180028679 /nfs/dbraw/zinc/02/86/79/180028679.db2.gz PJDMYFUROQPASY-UHFFFAOYSA-N 1 0 275.377 2.498 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1CN(C)c1ccc(F)cc1 ZINC000090566682 180006403 /nfs/dbraw/zinc/00/64/03/180006403.db2.gz WVBPTFRRMIQZJD-SWLSCSKDSA-N 1 0 266.360 2.277 10 0 CEAERO CCCn1c2cc(F)ccc2nc1[C@]1(C)COC[C@@H]1[NH3+] ZINC000090571856 180007408 /nfs/dbraw/zinc/00/74/08/180007408.db2.gz ILEGBBBFMFTFAB-DZGCQCFKSA-N 1 0 277.343 2.201 10 0 CEAERO C[C@]1(c2nc(C3CCC(C)(C)CC3)no2)COC[C@@H]1[NH3+] ZINC000090574144 180008620 /nfs/dbraw/zinc/00/86/20/180008620.db2.gz LRDLBOJYFTTWNG-NHYWBVRUSA-N 1 0 279.384 2.369 10 0 CEAERO CCc1cccc(CC)c1NC(=O)[C@@]1(C)COC[C@H]1[NH3+] ZINC000090580284 180008810 /nfs/dbraw/zinc/00/88/10/180008810.db2.gz XDRKNDZQCBAGCH-CJNGLKHVSA-N 1 0 276.380 2.114 10 0 CEAERO O=C(CSCC1C[NH2+]C1)N1CCC[C@H]2CCCC[C@H]21 ZINC000090712852 180028793 /nfs/dbraw/zinc/02/87/93/180028793.db2.gz HRBVBDAVNFMQEK-ZIAGYGMSSA-N 1 0 282.453 2.120 10 0 CEAERO C[C@@]1(C(=O)Nc2ccc3sccc3c2)COC[C@H]1[NH3+] ZINC000090586463 180009220 /nfs/dbraw/zinc/00/92/20/180009220.db2.gz YTXIYCMVIRAXCW-TZMCWYRMSA-N 1 0 276.361 2.204 10 0 CEAERO CCN(Cc1ccccc1Cl)C(=O)[C@]1(C)COC[C@H]1[NH3+] ZINC000090592307 180010391 /nfs/dbraw/zinc/01/03/91/180010391.db2.gz OQEXHZWMHXHDEE-UKRRQHHQSA-N 1 0 296.798 2.052 10 0 CEAERO CC(C)COc1ccccc1NC(=O)[C@@]1(C)COC[C@H]1[NH3+] ZINC000090590058 180010472 /nfs/dbraw/zinc/01/04/72/180010472.db2.gz OXZNMWMZTRNHLL-ZBFHGGJFSA-N 1 0 292.379 2.024 10 0 CEAERO COC(C[C@@H](CN)[N@@H+]1CCC[C@H](C(C)C)CC1)OC ZINC000090625405 180015817 /nfs/dbraw/zinc/01/58/17/180015817.db2.gz QBMJLPVLWGMTOS-KBPBESRZSA-N 1 0 272.433 2.081 10 0 CEAERO C[C@H](O[C@@H](C)C(F)(F)F)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000090671936 180020992 /nfs/dbraw/zinc/02/09/92/180020992.db2.gz BVJJWHGKIKEEDK-IUCAKERBSA-N 1 0 290.285 2.440 10 0 CEAERO Cc1cnc(NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(N)c1 ZINC000090691408 180024794 /nfs/dbraw/zinc/02/47/94/180024794.db2.gz YQEMARVFYXVZED-YHWZYXNKSA-N 1 0 260.385 2.399 10 0 CEAERO Cc1ccccc1NC(=O)CN(C)CC[C@H]1CCCC[NH2+]1 ZINC000090693267 180025106 /nfs/dbraw/zinc/02/51/06/180025106.db2.gz KAOZXKHDMUZPAQ-OAHLLOKOSA-N 1 0 289.423 2.398 10 0 CEAERO CN(c1ccc(C[NH3+])cc1)c1ncncc1Br ZINC000090780620 180038550 /nfs/dbraw/zinc/03/85/50/180038550.db2.gz JTNHHROFBQJGKO-UHFFFAOYSA-N 1 0 293.168 2.466 10 0 CEAERO COc1cc(N(C)c2ccc(C[NH3+])cc2)nc(C)n1 ZINC000090786959 180040632 /nfs/dbraw/zinc/04/06/32/180040632.db2.gz MGWZBUZYQGUENO-UHFFFAOYSA-N 1 0 258.325 2.020 10 0 CEAERO CC(C)Oc1cc(NC[C@@H]2CCCC[C@H]2C[NH3+])ncn1 ZINC000090786674 180040758 /nfs/dbraw/zinc/04/07/58/180040758.db2.gz JLDRPPYDPGNHDD-STQMWFEESA-N 1 0 278.400 2.441 10 0 CEAERO CCOc1cc(N[C@H](C[NH3+])c2ccccc2)nc(C)n1 ZINC000090788389 180041476 /nfs/dbraw/zinc/04/14/76/180041476.db2.gz XHMXJFNMTKOIPC-CYBMUJFWSA-N 1 0 272.352 2.296 10 0 CEAERO CCOc1ncnc(Nc2ccc(CC[NH3+])cc2)c1C ZINC000090790137 180042035 /nfs/dbraw/zinc/04/20/35/180042035.db2.gz PUPPPPMNMCRUGV-UHFFFAOYSA-N 1 0 272.352 2.429 10 0 CEAERO CCOc1ncnc(N[C@H]2CCCC[C@@H]2C[NH3+])c1C ZINC000090789712 180042117 /nfs/dbraw/zinc/04/21/17/180042117.db2.gz PGMQHZQFSZGNIE-NEPJUHHUSA-N 1 0 264.373 2.113 10 0 CEAERO CCOc1cc(NCC[N@H+](C)C2CCCC2)nc(C)n1 ZINC000090792494 180042676 /nfs/dbraw/zinc/04/26/76/180042676.db2.gz GPKCRSMYVKDUFJ-UHFFFAOYSA-N 1 0 278.400 2.470 10 0 CEAERO CCOc1cc(N[C@@H](C)C[NH+](CC)CC)nc(C)n1 ZINC000090792317 180042985 /nfs/dbraw/zinc/04/29/85/180042985.db2.gz MFXFRMZEAUJPAZ-NSHDSACASA-N 1 0 266.389 2.326 10 0 CEAERO C[C@H]([NH2+]C[C@H](C)[S@](C)=O)c1ccc(-n2ccnc2)cc1 ZINC000090842171 180043514 /nfs/dbraw/zinc/04/35/14/180043514.db2.gz FZVWBNJKUSBOKD-KQHSUYLTSA-N 1 0 291.420 2.290 10 0 CEAERO C[NH2+][C@@H]1C[C@@H](Oc2c(OC)cccc2OC)C1(C)C ZINC000090839360 180043860 /nfs/dbraw/zinc/04/38/60/180043860.db2.gz PGLGXYOUQAFPRF-CHWSQXEVSA-N 1 0 265.353 2.469 10 0 CEAERO COCc1cc([C@H](C)[NH2+]C[C@@H](C)[S@](C)=O)ccc1OC ZINC000090842921 180044157 /nfs/dbraw/zinc/04/41/57/180044157.db2.gz UNROHSXSEAVNTB-XAAFQQQXSA-N 1 0 299.436 2.259 10 0 CEAERO C[NH2+][C@H]1C[C@H](OC2CCOCC2)C12CCCCC2 ZINC000090862597 180047113 /nfs/dbraw/zinc/04/71/13/180047113.db2.gz QQCNPMHLTUWBGD-KBPBESRZSA-N 1 0 253.386 2.493 10 0 CEAERO CCN(CC)C(=O)[C@H](C)Sc1cccc(C[NH3+])c1 ZINC000090870499 180049129 /nfs/dbraw/zinc/04/91/29/180049129.db2.gz JWZHHOJIOJKEBX-NSHDSACASA-N 1 0 266.410 2.494 10 0 CEAERO CCC[NH2+]Cc1cccc(SCC(=O)NCC)c1 ZINC000090871644 180050054 /nfs/dbraw/zinc/05/00/54/180050054.db2.gz YWSKUBGOPKVWKJ-UHFFFAOYSA-N 1 0 266.410 2.414 10 0 CEAERO CC[NH2+]Cc1cccc(S[C@H](C)C(=O)NCCOC)c1 ZINC000090871323 180050230 /nfs/dbraw/zinc/05/02/30/180050230.db2.gz LEWGGEBUPIESBF-GFCCVEGCSA-N 1 0 296.436 2.039 10 0 CEAERO CN(C[C@@H]1Cc2ccccc2O1)C1(C[NH3+])CCCC1 ZINC000090874031 180050309 /nfs/dbraw/zinc/05/03/09/180050309.db2.gz UXLCSHCBVMJGAW-AWEZNQCLSA-N 1 0 260.381 2.193 10 0 CEAERO NC(=[NH2+])c1cccc(OC[C@H]2Cc3ccccc3O2)c1 ZINC000090875232 180051159 /nfs/dbraw/zinc/05/11/59/180051159.db2.gz YZFDNLQWVDKOFZ-CQSZACIVSA-N 1 0 268.316 2.353 10 0 CEAERO CCN(CC)C[C@H](C)[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000090874521 180051285 /nfs/dbraw/zinc/05/12/85/180051285.db2.gz ZPJWRSZQCBPKCY-DZGCQCFKSA-N 1 0 262.397 2.310 10 0 CEAERO [NH3+]CC1(OC[C@@H]2Cc3cc(F)ccc3O2)CCCC1 ZINC000090878967 180053317 /nfs/dbraw/zinc/05/33/17/180053317.db2.gz LJNIMYXCJCEVNS-ZDUSSCGKSA-N 1 0 265.328 2.417 10 0 CEAERO COC[C@H](C)C[NH2+]C[C@H]1Cc2cc(F)ccc2O1 ZINC000090892620 180054932 /nfs/dbraw/zinc/05/49/32/180054932.db2.gz RCALIXOQCAEKLC-ZWNOBZJWSA-N 1 0 253.317 2.001 10 0 CEAERO CC(C)(C)[C@@H]1C[NH2+]CCN1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090896131 180055944 /nfs/dbraw/zinc/05/59/44/180055944.db2.gz RNZWLMZCKKCFRN-HOCLYGCPSA-N 1 0 292.398 2.449 10 0 CEAERO CC[N@H+](CCC(=O)OC)C[C@H]1Cc2cc(F)ccc2O1 ZINC000090894718 180056293 /nfs/dbraw/zinc/05/62/93/180056293.db2.gz PIUBERYTLRFCCJ-CYBMUJFWSA-N 1 0 281.327 2.014 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](C[NH2+]CC[C@@H]1CCCO1)O2 ZINC000090897531 180056832 /nfs/dbraw/zinc/05/68/32/180056832.db2.gz LSKOMVLHNHTAPT-GJZGRUSLSA-N 1 0 261.365 2.457 10 0 CEAERO CC[C@H]1CN(C[C@@H]2Cc3cc(F)ccc3O2)CCC[NH2+]1 ZINC000090896192 180057305 /nfs/dbraw/zinc/05/73/05/180057305.db2.gz IDNGQCITIVHOCW-GJZGRUSLSA-N 1 0 278.371 2.203 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[NH2+]C[C@@H]1CCCCN1C)O2 ZINC000090897794 180057409 /nfs/dbraw/zinc/05/74/09/180057409.db2.gz PIOOAYBJVAQCJE-JKSUJKDBSA-N 1 0 274.408 2.372 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](C[NH2+]CC1(O)CCCC1)O2 ZINC000090898223 180057956 /nfs/dbraw/zinc/05/79/56/180057956.db2.gz ZWRCJZQWQDHFDA-AWEZNQCLSA-N 1 0 261.365 2.193 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](C[N@@H+]1CCCC[C@@H]1C(N)=S)O2 ZINC000090898441 180058339 /nfs/dbraw/zinc/05/83/39/180058339.db2.gz SPWKQAMLHYXBLH-UONOGXRCSA-N 1 0 290.432 2.439 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](C[N@H+](CCC(N)=S)C1CC1)O2 ZINC000090898421 180058416 /nfs/dbraw/zinc/05/84/16/180058416.db2.gz ZUGQRYCLXSXWBO-AWEZNQCLSA-N 1 0 290.432 2.439 10 0 CEAERO CCCN(C[C@@H]1Cc2cc(C)ccc2O1)[C@@H]1CC[NH2+]C1 ZINC000090900143 180058664 /nfs/dbraw/zinc/05/86/64/180058664.db2.gz QKGDUJTVOOSWLA-CVEARBPZSA-N 1 0 274.408 2.372 10 0 CEAERO CCC[N@H+](CCO)C[C@H]1Cc2cc(Cl)ccc2O1 ZINC000090900950 180058900 /nfs/dbraw/zinc/05/89/00/180058900.db2.gz GQZZATUHWSARNV-CYBMUJFWSA-N 1 0 269.772 2.348 10 0 CEAERO CC[C@H]([NH3+])Cc1nccn1C[C@H]1Cc2cc(C)ccc2O1 ZINC000090901599 180059072 /nfs/dbraw/zinc/05/90/72/180059072.db2.gz CHBDCKXZAYMWSO-LSDHHAIUSA-N 1 0 285.391 2.475 10 0 CEAERO CCCN(C[C@@H]1Cc2cc(Cl)ccc2O1)C1C[NH2+]C1 ZINC000090900337 180059147 /nfs/dbraw/zinc/05/91/47/180059147.db2.gz OTFCPQJMUBQLNV-AWEZNQCLSA-N 1 0 280.799 2.327 10 0 CEAERO CN1CCC([NH2+]C[C@H]2Cc3cc(Cl)ccc3O2)CC1 ZINC000090903510 180060061 /nfs/dbraw/zinc/06/00/61/180060061.db2.gz YHGVRJYIPZSZSV-CQSZACIVSA-N 1 0 280.799 2.327 10 0 CEAERO N[C@@H](CN1C[C@H]2CC[C@@H](C1)O2)c1cc2ccccc2o1 ZINC000090906003 180060967 /nfs/dbraw/zinc/06/09/67/180060967.db2.gz UZKYXMMXYAWDNU-MJBXVCDLSA-N 1 0 272.348 2.296 10 0 CEAERO CCc1ccc([C@H]([NH3+])CN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090906094 180061016 /nfs/dbraw/zinc/06/10/16/180061016.db2.gz QRDVBODSMWBXJF-OWCLPIDISA-N 1 0 260.381 2.112 10 0 CEAERO C[C@H](C[NH2+]C1CCCCC1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090908093 180062201 /nfs/dbraw/zinc/06/22/01/180062201.db2.gz LWDYNLBNQIVEGK-YUELXQCFSA-N 1 0 252.402 2.160 10 0 CEAERO CN1CCN(C)[C@H](C[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)C1 ZINC000068803396 362949238 /nfs/dbraw/zinc/94/92/38/362949238.db2.gz STCRJGOXOYDJLK-BZUAXINKSA-N 1 0 281.488 2.427 10 0 CEAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccc2cc[nH]c2c1 ZINC000104503285 186008698 /nfs/dbraw/zinc/00/86/98/186008698.db2.gz UVOZOLLOMPLEJT-GFCCVEGCSA-N 1 0 271.364 2.192 10 0 CEAERO CC(C)N(CC(F)(F)F)C(=O)c1csc(CC[NH3+])n1 ZINC000090950079 180071654 /nfs/dbraw/zinc/07/16/54/180071654.db2.gz ZTHKDUIJPAUOGC-UHFFFAOYSA-N 1 0 295.330 2.057 10 0 CEAERO CC(=O)c1cccc(NC(=O)c2csc(CC[NH3+])n2)c1 ZINC000090952384 180073573 /nfs/dbraw/zinc/07/35/73/180073573.db2.gz HGNWLWGJIYLUKQ-UHFFFAOYSA-N 1 0 289.360 2.099 10 0 CEAERO CCC(CC)(CO)[NH2+]Cc1sccc1NC(C)=O ZINC000090960611 180075236 /nfs/dbraw/zinc/07/52/36/180075236.db2.gz DOJXOMJRGZDIBD-UHFFFAOYSA-N 1 0 270.398 2.347 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+]CC[C@@H]1CCCO1 ZINC000090960363 180075391 /nfs/dbraw/zinc/07/53/91/180075391.db2.gz AUDHVVUDPAXJEH-NSHDSACASA-N 1 0 268.382 2.365 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+]CC[C@H]1CCCO1 ZINC000090960364 180075571 /nfs/dbraw/zinc/07/55/71/180075571.db2.gz AUDHVVUDPAXJEH-LLVKDONJSA-N 1 0 268.382 2.365 10 0 CEAERO CC(=O)Nc1ccccc1C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000090961358 180075926 /nfs/dbraw/zinc/07/59/26/180075926.db2.gz XMWONSLDMDDFIB-NHYWBVRUSA-N 1 0 262.353 2.302 10 0 CEAERO Nc1ccccc1C[NH2+]C[C@H]1COc2ccccc2O1 ZINC000090961265 180076103 /nfs/dbraw/zinc/07/61/03/180076103.db2.gz KNIZPMAQNOFAMW-ZDUSSCGKSA-N 1 0 270.332 2.198 10 0 CEAERO C[C@@H]1CCC[C@](O)(C[NH2+]Cc2sccc2N)C1 ZINC000090960848 180076287 /nfs/dbraw/zinc/07/62/87/180076287.db2.gz ZHXREQPGCNPLAS-ZWNOBZJWSA-N 1 0 254.399 2.361 10 0 CEAERO CCOC(=O)[C@@H]1CCC[N@@H+]1C[C@@H]1Cc2ccccc21 ZINC000090981404 180078748 /nfs/dbraw/zinc/07/87/48/180078748.db2.gz DJXBALKBQSKSGL-ZFWWWQNUSA-N 1 0 259.349 2.354 10 0 CEAERO CCn1c(C[NH3+])nnc1SC[C@@H]1Cc2ccccc21 ZINC000090977473 180079127 /nfs/dbraw/zinc/07/91/27/180079127.db2.gz RFGGMHUSJWVEJF-NSHDSACASA-N 1 0 274.393 2.189 10 0 CEAERO [NH3+]CCCN(C(=O)[C@@H]1Cc2ccccc21)C1CCCC1 ZINC000090982578 180079324 /nfs/dbraw/zinc/07/93/24/180079324.db2.gz VXHUUZGJPYVUNX-MRXNPFEDSA-N 1 0 272.392 2.446 10 0 CEAERO [NH3+]Cc1ccc(NC(=O)[C@H]2Cc3ccccc32)cc1 ZINC000090982563 180079377 /nfs/dbraw/zinc/07/93/77/180079377.db2.gz LIMDESCWKPZAEZ-HNNXBMFYSA-N 1 0 252.317 2.424 10 0 CEAERO [NH3+]CCOc1cccc(NC(=O)[C@H]2Cc3ccccc32)c1 ZINC000090982583 180079478 /nfs/dbraw/zinc/07/94/78/180079478.db2.gz MGIVAVLLSBGWFO-INIZCTEOSA-N 1 0 282.343 2.303 10 0 CEAERO [NH3+]Cc1ccn(CC(=O)Nc2ccc(Cl)cc2)c1 ZINC000090995268 180082586 /nfs/dbraw/zinc/08/25/86/180082586.db2.gz USYQDVLSSJASAS-UHFFFAOYSA-N 1 0 263.728 2.239 10 0 CEAERO C[C@H](Cn1cc(C[NH2+]C2CC2)c2ccccc21)C(N)=O ZINC000090995580 180082805 /nfs/dbraw/zinc/08/28/05/180082805.db2.gz GHTCYDQBQYNTBG-LLVKDONJSA-N 1 0 271.364 2.015 10 0 CEAERO CC[NH2+]Cc1cccn1CC(=O)Nc1ccccc1OC ZINC000090995874 180082971 /nfs/dbraw/zinc/08/29/71/180082971.db2.gz DAZOBJBNXOJKKI-UHFFFAOYSA-N 1 0 287.363 2.245 10 0 CEAERO CCCc1nc(Cn2cccc2C[NH2+]C(C)C)no1 ZINC000091001151 180083229 /nfs/dbraw/zinc/08/32/29/180083229.db2.gz KNZKMPFMSQMOEF-UHFFFAOYSA-N 1 0 262.357 2.370 10 0 CEAERO CCC(CC)NC(=O)Cn1cccc1C[NH2+]C1CC1 ZINC000091001350 180083275 /nfs/dbraw/zinc/08/32/75/180083275.db2.gz BPAGNWSVIDDSRM-UHFFFAOYSA-N 1 0 263.385 2.045 10 0 CEAERO Cc1cc(Cn2ccc(C[NH2+]C(C)(C)C)c2)n(C)n1 ZINC000091004269 180084270 /nfs/dbraw/zinc/08/42/70/180084270.db2.gz CAMRQHUQWVYDOO-UHFFFAOYSA-N 1 0 260.385 2.466 10 0 CEAERO COCCOCCn1cc(C[C@@H](C)[NH3+])c2ccccc21 ZINC000091005150 180084590 /nfs/dbraw/zinc/08/45/90/180084590.db2.gz NPGRXCRBNGGVHN-CYBMUJFWSA-N 1 0 276.380 2.194 10 0 CEAERO CC(C)n1cncc1Cn1cc(C[NH3+])c2cccnc21 ZINC000091018772 180086814 /nfs/dbraw/zinc/08/68/14/180086814.db2.gz QYURZQTZPLYOQJ-UHFFFAOYSA-N 1 0 269.352 2.321 10 0 CEAERO CC(C)[C@H](C[NH2+]Cc1c[nH]c2ncccc12)N(C)C ZINC000091016268 180087119 /nfs/dbraw/zinc/08/71/19/180087119.db2.gz KQZSGSYJLJCZAA-AWEZNQCLSA-N 1 0 260.385 2.239 10 0 CEAERO C[NH2+]Cc1cn(Cc2cc(C)on2)c2ncccc12 ZINC000091019347 180088135 /nfs/dbraw/zinc/08/81/35/180088135.db2.gz VHGIHHKNFLNSGY-UHFFFAOYSA-N 1 0 256.309 2.100 10 0 CEAERO CC[NH2+]Cc1cn(CC(=O)N(CC)CC)c2ncccc12 ZINC000091020097 180088144 /nfs/dbraw/zinc/08/81/44/180088144.db2.gz HPBZLFZROQAUMU-UHFFFAOYSA-N 1 0 288.395 2.014 10 0 CEAERO COC(=O)Cn1cc(C[NH2+]C(C)(C)C)c2cccnc21 ZINC000091021090 180088738 /nfs/dbraw/zinc/08/87/38/180088738.db2.gz YWOFJWHIXCTCPA-UHFFFAOYSA-N 1 0 275.352 2.097 10 0 CEAERO CCn1c(C[C@H]2CSCC[NH2+]2)nc2cc(F)ccc21 ZINC000091128527 180100172 /nfs/dbraw/zinc/10/01/72/180100172.db2.gz KBFHSCNOYGRNKK-NSHDSACASA-N 1 0 279.384 2.443 10 0 CEAERO Cc1nn(C(C)C)c(C)c1NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000091135536 180105186 /nfs/dbraw/zinc/10/51/86/180105186.db2.gz IUUFWAOAMPEQHZ-LBPRGKRZSA-N 1 0 296.440 2.114 10 0 CEAERO c1ccc2c(c1)CCCCN2CC[C@H]1C[NH2+]CCO1 ZINC000091314344 180133711 /nfs/dbraw/zinc/13/37/11/180133711.db2.gz AZGHBMYPPRXCCJ-HNNXBMFYSA-N 1 0 260.381 2.208 10 0 CEAERO CCCCC[N@H+](C(C)C)[C@H](CN)CC(=O)NC(C)C ZINC000091318528 180133760 /nfs/dbraw/zinc/13/37/60/180133760.db2.gz OLBAZTGWRYHWBH-AWEZNQCLSA-N 1 0 271.449 2.129 10 0 CEAERO CN(Cc1ccncc1)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091359602 180140459 /nfs/dbraw/zinc/14/04/59/180140459.db2.gz LFEWVLJGQAGFMT-JYJNAYRXSA-N 1 0 287.407 2.351 10 0 CEAERO CN(C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1)c1cccnc1 ZINC000091361452 180141526 /nfs/dbraw/zinc/14/15/26/180141526.db2.gz DRLDIILZMJTBGZ-SNPRPXQTSA-N 1 0 273.380 2.355 10 0 CEAERO c1cn2c(n1)CN(C[C@@H]1CC[C@@H]3CCCC[C@@H]3[NH2+]1)CC2 ZINC000091362787 180141606 /nfs/dbraw/zinc/14/16/06/180141606.db2.gz WXLUKJQICXZVHV-KKUMJFAQSA-N 1 0 274.412 2.010 10 0 CEAERO CC[C@H]([NH3+])[C@@H](S[C@@H](C)CCO)c1cccnc1 ZINC000091262050 180116426 /nfs/dbraw/zinc/11/64/26/180116426.db2.gz KIIRUXZNSHUQCU-DRZSPHRISA-N 1 0 254.399 2.364 10 0 CEAERO C[C@@H](CCO)SC[C@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000091268859 180117246 /nfs/dbraw/zinc/11/72/46/180117246.db2.gz JOUBFLKCTPJGGX-AAEUAGOBSA-N 1 0 297.420 2.352 10 0 CEAERO CC(C)n1cncc1CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000091272940 180117882 /nfs/dbraw/zinc/11/78/82/180117882.db2.gz KISWXFIJOGYKGH-ZBFHGGJFSA-N 1 0 276.428 2.428 10 0 CEAERO CCCN(Cc1cncn1C(C)C)[C@H]1CCC[NH2+]C1 ZINC000091273026 180118148 /nfs/dbraw/zinc/11/81/48/180118148.db2.gz UZNFGYCSDNNZAS-AWEZNQCLSA-N 1 0 264.417 2.428 10 0 CEAERO CC(C)CN1C(=O)CCC[C@H]([NH3+])[C@H]1c1cncn1C1CC1 ZINC000091275610 180118507 /nfs/dbraw/zinc/11/85/07/180118507.db2.gz XVUKBLCNQYDELI-BBRMVZONSA-N 1 0 290.411 2.255 10 0 CEAERO CC(C)(C)N1CCC[C@@H]([NH3+])[C@@H]1c1cncn1C1CC1 ZINC000091275638 180119075 /nfs/dbraw/zinc/11/90/75/180119075.db2.gz HZNAHPKIVOYTEB-TZMCWYRMSA-N 1 0 262.401 2.481 10 0 CEAERO [NH3+][C@@H]1CCCCN(C2CC2)[C@@H]1c1cncn1C1CC1 ZINC000091275675 180119142 /nfs/dbraw/zinc/11/91/42/180119142.db2.gz AXMYAUDLGNWLGN-HIFRSBDPSA-N 1 0 260.385 2.235 10 0 CEAERO c1ncn(C2CC2)c1CN1CC[NH2+]Cc2ccccc21 ZINC000091277027 180119913 /nfs/dbraw/zinc/11/99/13/180119913.db2.gz AKERGQYZQWHDIK-UHFFFAOYSA-N 1 0 268.364 2.328 10 0 CEAERO CN(c1ccc(F)cc1)[C@H](C[NH3+])c1cncn1C1CC1 ZINC000091276470 180119981 /nfs/dbraw/zinc/11/99/81/180119981.db2.gz HSBGALVUTUHPHE-CQSZACIVSA-N 1 0 274.343 2.493 10 0 CEAERO CC(C)[C@@H](C)N(C)[C@@H](C[NH3+])c1cncn1C1CC1 ZINC000091276267 180120294 /nfs/dbraw/zinc/12/02/94/180120294.db2.gz BHFIOCFWYFPBHT-YPMHNXCESA-N 1 0 250.390 2.194 10 0 CEAERO O=C(C[C@@H]1C[NH2+]CCO1)Nc1cccc(Cl)c1Cl ZINC000091299252 180125610 /nfs/dbraw/zinc/12/56/10/180125610.db2.gz OVUAOPVDCCUTRF-MRVPVSSYSA-N 1 0 289.162 2.310 10 0 CEAERO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C1CC(O)C1 ZINC000091430524 180152831 /nfs/dbraw/zinc/15/28/31/180152831.db2.gz DFOFBECXZVESHV-UHFFFAOYSA-N 1 0 271.364 2.102 10 0 CEAERO CCCc1nc(N2CCC[C@@H]([NH+](C)C)C2)sc1CO ZINC000091432686 180153667 /nfs/dbraw/zinc/15/36/67/180153667.db2.gz MKMKCSBBJXGMHF-LLVKDONJSA-N 1 0 283.441 2.118 10 0 CEAERO CC(=O)c1sc(N2CCC[C@@H]([NH+](C)C)C2)nc1C ZINC000091432972 180153719 /nfs/dbraw/zinc/15/37/19/180153719.db2.gz HNUNEFAGTBGNSS-LLVKDONJSA-N 1 0 267.398 2.185 10 0 CEAERO C[NH+](C)[C@H]1CCCN(c2nc3c(s2)C(=O)CCC3)C1 ZINC000091432397 180153889 /nfs/dbraw/zinc/15/38/89/180153889.db2.gz RQFPOZRGCMKOJT-JTQLQIEISA-N 1 0 279.409 2.193 10 0 CEAERO CO[C@H]1CCC[C@@H](Oc2cncc(C[NH2+]C(C)C)n2)C1 ZINC000091435421 180154460 /nfs/dbraw/zinc/15/44/60/180154460.db2.gz GBGROLFAGAKWNO-UONOGXRCSA-N 1 0 279.384 2.311 10 0 CEAERO C[C@@H]1C[NH+](C[C@H](O)COCc2ccccc2)C[C@H]1C ZINC000091440171 180156775 /nfs/dbraw/zinc/15/67/75/180156775.db2.gz ABJFZFPBRCBXMV-FMKPAKJESA-N 1 0 263.381 2.152 10 0 CEAERO CCCn1ncnc1C[C@]1(C(C)(C)C)CCC[NH2+]1 ZINC000091446086 180156860 /nfs/dbraw/zinc/15/68/60/180156860.db2.gz DRFMVWBPXJEOAH-AWEZNQCLSA-N 1 0 250.390 2.399 10 0 CEAERO CCCn1ncnc1C[C@@]1(C(C)(C)C)CCC[NH2+]1 ZINC000091446087 180156983 /nfs/dbraw/zinc/15/69/83/180156983.db2.gz DRFMVWBPXJEOAH-CQSZACIVSA-N 1 0 250.390 2.399 10 0 CEAERO CCCNc1cccc(C(=O)N2CCC[C@H]([NH+](C)C)C2)n1 ZINC000091449378 180157468 /nfs/dbraw/zinc/15/74/68/180157468.db2.gz RXZHVWXXKXLJJJ-ZDUSSCGKSA-N 1 0 290.411 2.070 10 0 CEAERO CN(CC1CC(O)C1)C(=O)CC[C@@H](CC[NH3+])C(C)(C)C ZINC000091450673 180158294 /nfs/dbraw/zinc/15/82/94/180158294.db2.gz ZNHRSXHOPJHXBH-MOKVOYLWSA-N 1 0 284.444 2.007 10 0 CEAERO C[NH2+]CC[C@@](C)(O)Cc1ccn(C2CCCCC2)n1 ZINC000091464964 180163089 /nfs/dbraw/zinc/16/30/89/180163089.db2.gz AGJIMFWWESARMX-OAHLLOKOSA-N 1 0 265.401 2.291 10 0 CEAERO COc1ccc(C[C@H](O)C[NH2+]C(C)(C)C)cc1F ZINC000091465217 180163718 /nfs/dbraw/zinc/16/37/18/180163718.db2.gz VLSPMRMFTHHKNZ-NSHDSACASA-N 1 0 255.333 2.126 10 0 CEAERO CCC[NH2+]CC[C@](C)(O)c1cc(OC)ccc1OC ZINC000091465400 180164044 /nfs/dbraw/zinc/16/40/44/180164044.db2.gz GWGULHUCQFVTKV-HNNXBMFYSA-N 1 0 267.369 2.301 10 0 CEAERO CC[C@H](C)n1ccc(C[C@@H](O)C[NH2+]CC(C)C)n1 ZINC000091467865 180164347 /nfs/dbraw/zinc/16/43/47/180164347.db2.gz ZFCYUQCWPINZSF-GXTWGEPZSA-N 1 0 253.390 2.003 10 0 CEAERO CCC[NH2+]CC[C@](C)(O)c1ccc(OC)c(F)c1 ZINC000091466797 180164547 /nfs/dbraw/zinc/16/45/47/180164547.db2.gz GHOZWMFRJHLSAD-AWEZNQCLSA-N 1 0 255.333 2.432 10 0 CEAERO Cc1ccc(C(F)(F)F)cc1NC[C@@H](O)C[NH+](C)C ZINC000091479610 180166732 /nfs/dbraw/zinc/16/67/32/180166732.db2.gz IUKHIHSALJWLLE-LLVKDONJSA-N 1 0 276.302 2.348 10 0 CEAERO C[N@@H+](Cc1ccc2ccccc2n1)CC1CC(O)C1 ZINC000091489122 180168656 /nfs/dbraw/zinc/16/86/56/180168656.db2.gz FDLCVVZZFBDAJP-UHFFFAOYSA-N 1 0 256.349 2.438 10 0 CEAERO Cc1ccccc1[C@@H](O)CC[N@@H+](C)CC1CC(O)C1 ZINC000091490993 180170245 /nfs/dbraw/zinc/17/02/45/180170245.db2.gz MPFLCNKLFGPYCN-XUJLQICISA-N 1 0 263.381 2.121 10 0 CEAERO C[NH2+]C[C@@H]1CCCCN1C(=O)C1C(C)(C)C1(C)C ZINC000091492700 180170721 /nfs/dbraw/zinc/17/07/21/180170721.db2.gz BQXFBNRIGVUBOY-NSHDSACASA-N 1 0 252.402 2.269 10 0 CEAERO C[N@@H+](Cc1cc2c(c(Cl)c1)OCO2)CC1CC(O)C1 ZINC000091498952 180174059 /nfs/dbraw/zinc/17/40/59/180174059.db2.gz AVBAUDPJRJNEBX-UHFFFAOYSA-N 1 0 283.755 2.271 10 0 CEAERO C[NH+](C)[C@H]1CCCN(Cc2ccc3nc(N)sc3c2)C1 ZINC000091392965 180145337 /nfs/dbraw/zinc/14/53/37/180145337.db2.gz KIKASCRRCLOATC-LBPRGKRZSA-N 1 0 290.436 2.405 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(CCCC(C)(C)C(N)=S)C1 ZINC000091393141 180145803 /nfs/dbraw/zinc/14/58/03/180145803.db2.gz AWXJDIHLQACDBE-GFCCVEGCSA-N 1 0 271.474 2.105 10 0 CEAERO C[NH+](C)[C@H]1CCCN(CC(=O)c2ccc3c(c2)CCC3)C1 ZINC000091394272 180146110 /nfs/dbraw/zinc/14/61/10/180146110.db2.gz VWPIOGCUPLLJHH-KRWDZBQOSA-N 1 0 286.419 2.384 10 0 CEAERO O=C(Nc1cc(Cl)cc2cccnc21)C1C[NH2+]C1 ZINC000091406244 180147757 /nfs/dbraw/zinc/14/77/57/180147757.db2.gz KQRMTLOWCSCUQJ-UHFFFAOYSA-N 1 0 261.712 2.046 10 0 CEAERO C[NH2+][C@@H](Cc1ccnc(N)c1)C(C)(C)N1CCCCC1 ZINC000091564728 180193352 /nfs/dbraw/zinc/19/33/52/180193352.db2.gz ANHPQKPJYVOXFK-AWEZNQCLSA-N 1 0 276.428 2.059 10 0 CEAERO CCn1nc(C)cc1C[C@@H]([NH3+])C(C)(C)N1CCCCC1 ZINC000091564524 180193583 /nfs/dbraw/zinc/19/35/83/180193583.db2.gz HAFVRYBFZBWGGR-OAHLLOKOSA-N 1 0 278.444 2.346 10 0 CEAERO CC(C)([C@H](O)Cc1ccc2c(c1)CCC2)[NH+]1CCOCC1 ZINC000091565948 180194072 /nfs/dbraw/zinc/19/40/72/180194072.db2.gz PJGDOSARSUHUDG-QGZVFWFLSA-N 1 0 289.419 2.190 10 0 CEAERO C[NH2+][C@@H](Cc1cccc(F)c1)C(C)(C)N1CCOCC1 ZINC000091566585 180194097 /nfs/dbraw/zinc/19/40/97/180194097.db2.gz JMKKIXUJJDIAND-HNNXBMFYSA-N 1 0 280.387 2.067 10 0 CEAERO CCc1ccc(C[C@H]([NH2+]C)C(C)(C)N2CCOCC2)cc1 ZINC000091566465 180194221 /nfs/dbraw/zinc/19/42/21/180194221.db2.gz KCIXNNOMNSFDSB-KRWDZBQOSA-N 1 0 290.451 2.490 10 0 CEAERO CCC[NH2+][C@H](Cc1ccncc1)C(C)(C)N1CCOCC1 ZINC000091567203 180195041 /nfs/dbraw/zinc/19/50/41/180195041.db2.gz IJQBZHPLWZYHFX-MRXNPFEDSA-N 1 0 291.439 2.103 10 0 CEAERO CCC[NH2+][C@@H](CC[C@@H]1CCCO1)C(C)(C)N1CCOCC1 ZINC000091567116 180195057 /nfs/dbraw/zinc/19/50/57/180195057.db2.gz ROJUTYZNFORTPO-HOTGVXAUSA-N 1 0 298.471 2.425 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@@H](O)Cc1ccccn1 ZINC000091572758 180196213 /nfs/dbraw/zinc/19/62/13/180196213.db2.gz VQAYWQKMOQIEBK-GJZGRUSLSA-N 1 0 250.386 2.496 10 0 CEAERO CC[NH2+][C@H](Cc1ncnn1C(C)C)[C@](C)(CC)N(C)C ZINC000091571644 180196316 /nfs/dbraw/zinc/19/63/16/180196316.db2.gz GBTNFQMHXPOMRV-HIFRSBDPSA-N 1 0 281.448 2.110 10 0 CEAERO CCC[NH2+][C@@H](c1cncnc1)[C@@](C)(CC)N(C)C ZINC000091571764 180196469 /nfs/dbraw/zinc/19/64/69/180196469.db2.gz JCQNYKJAEOXTDM-UONOGXRCSA-N 1 0 250.390 2.248 10 0 CEAERO CC[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1=O)c1cccs1 ZINC000105088521 186042314 /nfs/dbraw/zinc/04/23/14/186042314.db2.gz XBZPUUTYGPWBIG-GHMZBOCLSA-N 1 0 278.377 2.079 10 0 CEAERO CC(C)c1nn(C)c(NCC[NH+]2CCCCCC2)c1N ZINC000091583481 180199195 /nfs/dbraw/zinc/19/91/95/180199195.db2.gz CSXHCYSDGOQWOH-UHFFFAOYSA-N 1 0 279.432 2.414 10 0 CEAERO CC[C@@](C)([C@@H](O)Cc1ncnn1CC(C)C)[NH+]1CCCC1 ZINC000091603497 180202864 /nfs/dbraw/zinc/20/28/64/180202864.db2.gz SDNAOOQILMLUDL-HOCLYGCPSA-N 1 0 294.443 2.102 10 0 CEAERO CCn1nc(C)cc1C[C@@H](O)[C@](C)(CC)[NH+]1CCCC1 ZINC000091602556 180203605 /nfs/dbraw/zinc/20/36/05/180203605.db2.gz XEOFHNLGVTVNDU-CVEARBPZSA-N 1 0 279.428 2.379 10 0 CEAERO CC[C@](C)([C@H](N)Cc1ccnc(N)c1)[NH+]1CCCCC1 ZINC000091609002 180205236 /nfs/dbraw/zinc/20/52/36/180205236.db2.gz BEHQXPMGCVWSFK-GDBMZVCRSA-N 1 0 276.428 2.188 10 0 CEAERO CC[C@](C)([C@H](O)CCc1ccccc1)[NH+]1CCOCC1 ZINC000091610950 180205400 /nfs/dbraw/zinc/20/54/00/180205400.db2.gz UVLYZKJPVPQXTC-IAGOWNOFSA-N 1 0 277.408 2.481 10 0 CEAERO CC[C@@](C)([C@H](N)c1cccnc1N)[NH+]1CCCCC1 ZINC000091609525 180205463 /nfs/dbraw/zinc/20/54/63/180205463.db2.gz YKCBRLZNOJEJIT-HIFRSBDPSA-N 1 0 262.401 2.318 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)NCc2cc(F)ccc2F)C1 ZINC000105174216 186044874 /nfs/dbraw/zinc/04/48/74/186044874.db2.gz AVPCTNBCZJJOBW-ZDUSSCGKSA-N 1 0 297.349 2.248 10 0 CEAERO CC[C@@](C)([C@H](O)Cc1ccnc(N)c1)[NH+]1CCCCC1 ZINC000091608485 180205812 /nfs/dbraw/zinc/20/58/12/180205812.db2.gz MGIFBLUHULQLPM-ZBFHGGJFSA-N 1 0 277.412 2.222 10 0 CEAERO CCCn1ncnc1C[C@H](N)[C@@](C)(CC)[NH+]1CCCCC1 ZINC000091609449 180205820 /nfs/dbraw/zinc/20/58/20/180205820.db2.gz RXVOPZPJOPFTKT-GOEBONIOSA-N 1 0 293.459 2.213 10 0 CEAERO CC[C@](C)([C@H](Cc1cnccc1N)[NH2+]C)N1CCCCC1 ZINC000091609684 180205855 /nfs/dbraw/zinc/20/58/55/180205855.db2.gz XSKMDPSOOPTRCT-DLBZAZTESA-N 1 0 290.455 2.449 10 0 CEAERO CC[C@@](C)([C@@H](O)Cc1cccs1)[NH+]1CCOCC1 ZINC000091611355 180206433 /nfs/dbraw/zinc/20/64/33/180206433.db2.gz WVLFBFJYGXXAQK-KBPBESRZSA-N 1 0 269.410 2.152 10 0 CEAERO CC[C@](C)([C@@H](O)Cc1cccc(OC)c1)[NH+]1CCOCC1 ZINC000091611536 180206609 /nfs/dbraw/zinc/20/66/09/180206609.db2.gz SWCWFDUGNPURPL-DLBZAZTESA-N 1 0 293.407 2.100 10 0 CEAERO CC[C@@](C)([C@H]([NH3+])Cc1ccccc1OC)N1CCOCC1 ZINC000091612177 180206991 /nfs/dbraw/zinc/20/69/91/180206991.db2.gz FERMWEPTFJWIEG-SJORKVTESA-N 1 0 292.423 2.066 10 0 CEAERO CC[C@](C)([C@@H](Cc1ccc(F)cc1)[NH2+]C)N1CCOCC1 ZINC000091612586 180207083 /nfs/dbraw/zinc/20/70/83/180207083.db2.gz XOSOURDMBKRWHO-IAGOWNOFSA-N 1 0 294.414 2.457 10 0 CEAERO CC[C@@](C)([C@H]([NH3+])CCc1ccccc1)N1CCOCC1 ZINC000091612153 180207511 /nfs/dbraw/zinc/20/75/11/180207511.db2.gz ASQRBRQRTAVCLG-SJORKVTESA-N 1 0 276.424 2.447 10 0 CEAERO CCn1nc(C)cc1C[C@@H](N)C(CC)(CC)[NH+](C)C ZINC000091614057 180208070 /nfs/dbraw/zinc/20/80/70/180208070.db2.gz ZKTJCWCEKHMPTI-CQSZACIVSA-N 1 0 266.433 2.202 10 0 CEAERO C1CO[C@@H](c2nc3c(s2)CCCCCC3)C[NH2+]1 ZINC000091501556 180175508 /nfs/dbraw/zinc/17/55/08/180175508.db2.gz LGWCCFLUNZALLI-LLVKDONJSA-N 1 0 252.383 2.463 10 0 CEAERO Cc1nc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)ccc1Br ZINC000091507076 180176159 /nfs/dbraw/zinc/17/61/59/180176159.db2.gz DXNLHUHOJVXEGI-IUCAKERBSA-N 1 0 298.184 2.218 10 0 CEAERO COC(=O)C1(Nc2cc(C)cc(F)c2)CC[NH+](C)CC1 ZINC000091514881 180177049 /nfs/dbraw/zinc/17/70/49/180177049.db2.gz XMCZAUWTLXLCKG-UHFFFAOYSA-N 1 0 280.343 2.183 10 0 CEAERO CCC[NH2+][C@H]1CCN(c2cc(C)cc(F)c2)C1=O ZINC000091514605 180177095 /nfs/dbraw/zinc/17/70/95/180177095.db2.gz BVYAQKOEQYENPF-ZDUSSCGKSA-N 1 0 250.317 2.239 10 0 CEAERO COCC[NH2+]CC[C@@](C)(O)c1ccc(C)cc1C ZINC000091521072 180177934 /nfs/dbraw/zinc/17/79/34/180177934.db2.gz CMPJXGUJIBQGAG-OAHLLOKOSA-N 1 0 251.370 2.137 10 0 CEAERO CCCn1c2ccc(C)cc2nc1C[C@@](C)(O)C[NH3+] ZINC000091522010 180178024 /nfs/dbraw/zinc/17/80/24/180178024.db2.gz RGKHXXDUZGMSPA-OAHLLOKOSA-N 1 0 261.369 2.007 10 0 CEAERO CCCn1ccnc1[C@H](O)C(C)(C)[NH+](CC)CC ZINC000091530158 180180303 /nfs/dbraw/zinc/18/03/03/180180303.db2.gz CXQRJUAMBADEMW-LBPRGKRZSA-N 1 0 253.390 2.447 10 0 CEAERO CCCn1cc([C@H]([NH2+]CC)C(C)(C)N(C)C)cn1 ZINC000091529176 180180906 /nfs/dbraw/zinc/18/09/06/180180906.db2.gz XGZDXMQIWORLKJ-ZDUSSCGKSA-N 1 0 252.406 2.284 10 0 CEAERO CC[NH2+][C@@H](Cc1ccn(C(C)C)n1)C(C)(C)N(C)C ZINC000091529186 180180944 /nfs/dbraw/zinc/18/09/44/180180944.db2.gz VCJZNXGKVSBUCX-AWEZNQCLSA-N 1 0 266.433 2.325 10 0 CEAERO CCn1nc(C)c(Cl)c1C[C@@H]([NH2+]C)C(C)(C)N(C)C ZINC000091528739 180180955 /nfs/dbraw/zinc/18/09/55/180180955.db2.gz GHBOLGUVQOYFSK-GFCCVEGCSA-N 1 0 286.851 2.336 10 0 CEAERO CC(C)([C@@H]([NH3+])c1cc(Cl)cnc1N)N1CCCC1 ZINC000091533672 180181426 /nfs/dbraw/zinc/18/14/26/180181426.db2.gz DUZHSDIKYAHOCW-NSHDSACASA-N 1 0 268.792 2.191 10 0 CEAERO CC(C)n1ccc(C[C@H](O)C(C)(C)[NH+]2CCCC2)n1 ZINC000091533399 180181555 /nfs/dbraw/zinc/18/15/55/180181555.db2.gz RVYHRGPFGUADCK-AWEZNQCLSA-N 1 0 265.401 2.242 10 0 CEAERO C[NH2+][C@@H](c1c(C)ccnc1N)C(C)(C)N1CCCC1 ZINC000091534414 180181657 /nfs/dbraw/zinc/18/16/57/180181657.db2.gz UWVIKOXONRNSOE-ZDUSSCGKSA-N 1 0 262.401 2.107 10 0 CEAERO O=c1cc(C[NH2+]Cc2ccco2)c2ccccc2[nH]1 ZINC000104993726 186037262 /nfs/dbraw/zinc/03/72/62/186037262.db2.gz MQDURTVTZURYRM-UHFFFAOYSA-N 1 0 254.289 2.411 10 0 CEAERO [NH3+][C@H]1CC[C@H](C(=O)Nc2c3nsnc3ccc2Cl)C1 ZINC000091542635 180184679 /nfs/dbraw/zinc/18/46/79/180184679.db2.gz QXYTZPIACCNBMU-BQBZGAKWSA-N 1 0 296.783 2.411 10 0 CEAERO CCc1nn(C)cc1-c1cc(OC)c(OC)cc1C[NH2+]C ZINC000091544875 180185517 /nfs/dbraw/zinc/18/55/17/180185517.db2.gz IARCHLVQYVNSBU-UHFFFAOYSA-N 1 0 289.379 2.386 10 0 CEAERO CC(C)c1csc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)n1 ZINC000091544264 180185601 /nfs/dbraw/zinc/18/56/01/180185601.db2.gz FOEUXBPFUXTLNN-IUCAKERBSA-N 1 0 253.371 2.332 10 0 CEAERO CC(C)OC(=O)c1ccc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000091546618 180186813 /nfs/dbraw/zinc/18/68/13/180186813.db2.gz OSBHMDZGGCITAT-CHWSQXEVSA-N 1 0 290.363 2.318 10 0 CEAERO CC(C)(CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000091546814 180187621 /nfs/dbraw/zinc/18/76/21/180187621.db2.gz ABNOMPJYIPHGEB-TZMCWYRMSA-N 1 0 260.381 2.208 10 0 CEAERO CCC(CC)N1C(=O)C[C@@H]([NH2+][C@H](CC)C(C)C)C1=O ZINC000105028369 186038748 /nfs/dbraw/zinc/03/87/48/186038748.db2.gz UVMZNDJTKUSSEM-CHWSQXEVSA-N 1 0 268.401 2.327 10 0 CEAERO CCc1nn(C)c(C[C@H](O)C2([NH+](C)C)CCCC2)c1Cl ZINC000091636637 180211661 /nfs/dbraw/zinc/21/16/61/180211661.db2.gz NVUTTXXGGCOQCB-ZDUSSCGKSA-N 1 0 299.846 2.414 10 0 CEAERO O=C(C1CCOCC1)C1([NH+]2CCCC2)CCCC1 ZINC000091640016 180212023 /nfs/dbraw/zinc/21/20/23/180212023.db2.gz HHOGUMWWVARHPJ-UHFFFAOYSA-N 1 0 251.370 2.391 10 0 CEAERO Cc1cc(CC(=O)C2([NH+]3CCCC3)CCCC2)n(C)n1 ZINC000091639965 180212396 /nfs/dbraw/zinc/21/23/96/180212396.db2.gz SPIMPIAIEPHIRC-UHFFFAOYSA-N 1 0 275.396 2.249 10 0 CEAERO C[NH2+][C@H](Cc1c(Cl)c(C)nn1C)C1(N(C)C)CCCC1 ZINC000091637570 180212533 /nfs/dbraw/zinc/21/25/33/180212533.db2.gz CWAULXVBWPCQNN-CYBMUJFWSA-N 1 0 298.862 2.387 10 0 CEAERO Nc1ccncc1C[C@@H](N)C1([NH+]2CCCCC2)CCCC1 ZINC000091641862 180213096 /nfs/dbraw/zinc/21/30/96/180213096.db2.gz AEJOAHGPUSFIAL-MRXNPFEDSA-N 1 0 288.439 2.332 10 0 CEAERO CCCn1ncnc1C[C@@H](O)C1([NH+]2CCCC2)CCCC1 ZINC000091640205 180213127 /nfs/dbraw/zinc/21/31/27/180213127.db2.gz MSZIEJWYDNNQTF-CQSZACIVSA-N 1 0 292.427 2.000 10 0 CEAERO Nc1ccncc1C(=O)C1([NH+]2CCCC2)CCCC1 ZINC000091640093 180213265 /nfs/dbraw/zinc/21/32/65/180213265.db2.gz RUBSFCFMRZUIDZ-UHFFFAOYSA-N 1 0 259.353 2.255 10 0 CEAERO CC(C)CC[C@@H](O)C1([NH+]2CCOCC2)CCCC1 ZINC000091642588 180213889 /nfs/dbraw/zinc/21/38/89/180213889.db2.gz YRIRVMDNYYJKIA-CQSZACIVSA-N 1 0 255.402 2.429 10 0 CEAERO CC1CCC(C(=O)c2cccnc2N)([NH+](C)C)CC1 ZINC000091648166 180215213 /nfs/dbraw/zinc/21/52/13/180215213.db2.gz YTTVFZQIBPDILP-UHFFFAOYSA-N 1 0 261.369 2.357 10 0 CEAERO Cc1cnc(N)c([C@H](N)C2([NH+](C)C)CCCCC2)c1 ZINC000091647068 180215579 /nfs/dbraw/zinc/21/55/79/180215579.db2.gz CPBSWFMFBKRUGE-ZDUSSCGKSA-N 1 0 262.401 2.237 10 0 CEAERO CC1CCC([C@@H](N)Cc2ccnc(N)c2)([NH+](C)C)CC1 ZINC000091648730 180216188 /nfs/dbraw/zinc/21/61/88/180216188.db2.gz FUYHZBPWNVQBSH-UGWHAMFMSA-N 1 0 276.428 2.044 10 0 CEAERO C[C@H]1CCC[C@](C(=O)C2CCOCC2)([NH+](C)C)C1 ZINC000091650037 180216668 /nfs/dbraw/zinc/21/66/68/180216668.db2.gz AODVVRUCJNODJF-WFASDCNBSA-N 1 0 253.386 2.493 10 0 CEAERO C[N@@H+]1CCCC[C@@H]1COc1nc(Cl)ncc1F ZINC000091655070 180217474 /nfs/dbraw/zinc/21/74/74/180217474.db2.gz IVZUAGIDYBCBRF-MRVPVSSYSA-N 1 0 259.712 2.132 10 0 CEAERO C[C@H](NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1c(F)cccc1F ZINC000091662320 180220151 /nfs/dbraw/zinc/22/01/51/180220151.db2.gz JOEITTKJMWLXDT-XQQFMLRXSA-N 1 0 296.361 2.479 10 0 CEAERO O=C(Cc1cccc(Cl)c1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091714127 180231469 /nfs/dbraw/zinc/23/14/69/180231469.db2.gz KIQRTIRFQIEJHN-HIFRSBDPSA-N 1 0 279.767 2.315 10 0 CEAERO C[NH2+][C@@H](Cc1ccc(C(C)(C)C)cc1)[C@H]1CN(C)CCO1 ZINC000091717569 180232650 /nfs/dbraw/zinc/23/26/50/180232650.db2.gz VRXRXKGGUKUPRT-DLBZAZTESA-N 1 0 290.451 2.445 10 0 CEAERO CC[NH2+][C@@H](c1cc(C)ccc1F)[C@@H]1CN(C)CCO1 ZINC000091718718 180233177 /nfs/dbraw/zinc/23/31/77/180233177.db2.gz GEEYMPAQNNUQQB-GJZGRUSLSA-N 1 0 266.360 2.115 10 0 CEAERO CCC[NH2+][C@H](c1ccsc1)[C@@H]1CN(C)CCO1 ZINC000091718971 180233261 /nfs/dbraw/zinc/23/32/61/180233261.db2.gz WRPVHMUXSGQFCS-QWHCGFSZSA-N 1 0 254.399 2.119 10 0 CEAERO CC[NH2+][C@H](c1ccc(OCC)cc1)[C@H]1CN(C)CCO1 ZINC000091718409 180233320 /nfs/dbraw/zinc/23/33/20/180233320.db2.gz PQPCNNXCLJMQIN-HZPDHXFCSA-N 1 0 278.396 2.067 10 0 CEAERO CC[NH2+][C@@H](c1cc(C)cc(C)c1)[C@H]1CN(C)CCO1 ZINC000091718232 180233380 /nfs/dbraw/zinc/23/33/80/180233380.db2.gz TZTXYGWAWPPCFZ-CVEARBPZSA-N 1 0 262.397 2.285 10 0 CEAERO CC[NH2+][C@H](c1cncc2ccccc21)[C@@H]1CN(C)CCO1 ZINC000091718899 180233402 /nfs/dbraw/zinc/23/34/02/180233402.db2.gz VYOAUZZVJRMOPO-DLBZAZTESA-N 1 0 285.391 2.216 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccccc1F)[C@H]1CN(C)CCO1 ZINC000091718924 180233567 /nfs/dbraw/zinc/23/35/67/180233567.db2.gz FHSWFFJELKHTDM-JKSUJKDBSA-N 1 0 280.387 2.067 10 0 CEAERO CC[NH2+][C@@H](c1cc(F)ccc1C)[C@H]1CN(C)CCO1 ZINC000091718756 180233677 /nfs/dbraw/zinc/23/36/77/180233677.db2.gz NPKXCEQAWGPVML-CABCVRRESA-N 1 0 266.360 2.115 10 0 CEAERO CCC[NH2+][C@@H](c1ccc(F)cc1F)[C@@H]1CN(C)CCO1 ZINC000091718982 180233801 /nfs/dbraw/zinc/23/38/01/180233801.db2.gz PZNGWMKODIIVAU-GJZGRUSLSA-N 1 0 284.350 2.336 10 0 CEAERO CC[NH2+][C@H](c1cncc2ccccc21)[C@H]1CN(C)CCO1 ZINC000091718901 180233805 /nfs/dbraw/zinc/23/38/05/180233805.db2.gz VYOAUZZVJRMOPO-IAGOWNOFSA-N 1 0 285.391 2.216 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccc(F)cc1F)[C@H]1CN(C)CCO1 ZINC000091719432 180234415 /nfs/dbraw/zinc/23/44/15/180234415.db2.gz IRWXYVFZUFQBHT-JKSUJKDBSA-N 1 0 298.377 2.206 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccn([C@H](C)CC)n1)CN(C)C ZINC000091719930 180234657 /nfs/dbraw/zinc/23/46/57/180234657.db2.gz DYNCGSIABSAUAW-HIFRSBDPSA-N 1 0 266.433 2.326 10 0 CEAERO CCC[NH2+][C@H](Cc1nn(C)c2ccccc12)CN(C)C ZINC000091719943 180235415 /nfs/dbraw/zinc/23/54/15/180235415.db2.gz DGCNRIZMADISRQ-CYBMUJFWSA-N 1 0 274.412 2.046 10 0 CEAERO CC[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1ccc(F)cc1 ZINC000624235202 350238370 /nfs/dbraw/zinc/23/83/70/350238370.db2.gz GNPYWVFKARINHK-MJBXVCDLSA-N 1 0 253.317 2.016 10 0 CEAERO C[NH2+][C@H](c1cc(C)ccc1C)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721299 180237576 /nfs/dbraw/zinc/23/75/76/180237576.db2.gz SRGDNMSPRJLSRQ-DJIMGWMZSA-N 1 0 274.408 2.427 10 0 CEAERO CC[NH2+][C@H](Cc1ccccc1F)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721525 180238271 /nfs/dbraw/zinc/23/82/71/180238271.db2.gz RFKWTMUIYCCFHO-OIISXLGYSA-N 1 0 292.398 2.210 10 0 CEAERO CCOc1ccccc1[C@H](NC)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721398 180238556 /nfs/dbraw/zinc/23/85/56/180238556.db2.gz XOHPEXJUNGNECL-XYPHTWIQSA-N 1 0 290.407 2.209 10 0 CEAERO CCc1ccc(C(=O)N2C[C@@H]3C[C@@H]([NH3+])CC[C@@H]3C2)o1 ZINC000091762415 180247879 /nfs/dbraw/zinc/24/78/79/180247879.db2.gz QWRFXOISMUVCSX-WOPDTQHZSA-N 1 0 262.353 2.041 10 0 CEAERO CCc1ccc(C(=O)N2[C@@H](C[NH3+])CCC[C@@H]2C)o1 ZINC000091762764 180248517 /nfs/dbraw/zinc/24/85/17/180248517.db2.gz UULNGINQSWAMJG-WDEREUQCSA-N 1 0 250.342 2.184 10 0 CEAERO COCC[N@H+]([C@@H](C)c1ccc(C(=O)OC)o1)C1CC1 ZINC000091781356 180253769 /nfs/dbraw/zinc/25/37/69/180253769.db2.gz HVDOFJDPRNYKSH-JTQLQIEISA-N 1 0 267.325 2.238 10 0 CEAERO C[NH2+][C@H](C)c1cccn1Cc1ncc(Cl)n1C ZINC000091800766 180259505 /nfs/dbraw/zinc/25/95/05/180259505.db2.gz GNIMMVPBQLPVOM-SECBINFHSA-N 1 0 252.749 2.204 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]Cc2ccc[nH]c2=O)c1C ZINC000624258413 350248456 /nfs/dbraw/zinc/24/84/56/350248456.db2.gz JBOQEYGEEHSNEE-SNVBAGLBSA-N 1 0 274.368 2.471 10 0 CEAERO COC(=O)COc1c(C)cc(C[NH2+][C@H]2C[C@@H]2C)cc1C ZINC000105437218 186056387 /nfs/dbraw/zinc/05/63/87/186056387.db2.gz DYAMOFZFTSJLDU-HZMBPMFUSA-N 1 0 277.364 2.353 10 0 CEAERO CC[NH2+][C@H](c1ccc(OC)cc1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721807 180239998 /nfs/dbraw/zinc/23/99/98/180239998.db2.gz LNYBCKHJKXRKOT-DJIMGWMZSA-N 1 0 290.407 2.209 10 0 CEAERO CC[NH2+][C@H](C1CCCC1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721909 180241061 /nfs/dbraw/zinc/24/10/61/180241061.db2.gz WCCLXVDEASMDCC-QLFBSQMISA-N 1 0 252.402 2.018 10 0 CEAERO Cc1nc(CN(C)C)nc(C)c1C[NH2+]C(C)(C)C ZINC000091723732 180241306 /nfs/dbraw/zinc/24/13/06/180241306.db2.gz UAGUZQANABHXRL-UHFFFAOYSA-N 1 0 250.390 2.043 10 0 CEAERO CCC[NH2+]C[C@H](C)c1c(C)nc(CN(C)C)nc1C ZINC000091723770 180242251 /nfs/dbraw/zinc/24/22/51/180242251.db2.gz GGRXKAFADLFGSQ-NSHDSACASA-N 1 0 264.417 2.258 10 0 CEAERO CSc1ccc(C[NH2+]CCc2nc(C)no2)cc1 ZINC000105470249 186059421 /nfs/dbraw/zinc/05/94/21/186059421.db2.gz CZXZDHOTUXPYJM-UHFFFAOYSA-N 1 0 263.366 2.432 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)COc2ccccc2)CC1 ZINC000091854474 180274540 /nfs/dbraw/zinc/27/45/40/180274540.db2.gz OUFNYIAYLIPFRW-UHFFFAOYSA-N 1 0 276.380 2.054 10 0 CEAERO C[C@H]([NH3+])c1ccn(Cc2nn(C)c3ccccc23)c1 ZINC000091803852 180259773 /nfs/dbraw/zinc/25/97/73/180259773.db2.gz UKBWLQSSRYHTHH-NSHDSACASA-N 1 0 254.337 2.443 10 0 CEAERO C[NH2+][C@@H](C)c1ccn(CC(=O)Nc2ccccc2)c1 ZINC000091804197 180259792 /nfs/dbraw/zinc/25/97/92/180259792.db2.gz UUXVHNHELZPONP-LBPRGKRZSA-N 1 0 257.337 2.407 10 0 CEAERO C[NH2+][C@H](C)c1ccn(Cc2nc3ccccc3c(=O)[nH]2)c1 ZINC000091804616 180260148 /nfs/dbraw/zinc/26/01/48/180260148.db2.gz NEBRMACLLJBJII-LLVKDONJSA-N 1 0 282.347 2.053 10 0 CEAERO CC[NH2+][C@@H](C)c1ccn(CC(=O)NC(C)(C)C)c1 ZINC000091805332 180260835 /nfs/dbraw/zinc/26/08/35/180260835.db2.gz ZIBOAHFWUSBFPL-NSHDSACASA-N 1 0 251.374 2.073 10 0 CEAERO CCC[NH2+][C@H](CC)c1ccn(CC(=O)NC(C)C)c1 ZINC000091817673 180263318 /nfs/dbraw/zinc/26/33/18/180263318.db2.gz DLNOMQKLEUTENL-CQSZACIVSA-N 1 0 265.401 2.463 10 0 CEAERO CCC[C@@H]([NH2+]CC)c1ccn(CCCS(C)(=O)=O)c1 ZINC000091822652 180264088 /nfs/dbraw/zinc/26/40/88/180264088.db2.gz DGKPEHJSMXDOLF-CQSZACIVSA-N 1 0 286.441 2.374 10 0 CEAERO CCC[NH2+][C@H](c1ccn(CCS(C)(=O)=O)c1)C(C)C ZINC000091828332 180265531 /nfs/dbraw/zinc/26/55/31/180265531.db2.gz UQPJGOBRLQFEAJ-AWEZNQCLSA-N 1 0 286.441 2.229 10 0 CEAERO Cn1c(Cl)cnc1Cn1ccc([C@H]([NH3+])C2CC2)c1 ZINC000091835180 180267307 /nfs/dbraw/zinc/26/73/07/180267307.db2.gz ULVQPEPMIILUQO-CYBMUJFWSA-N 1 0 264.760 2.333 10 0 CEAERO CC[NH2+][C@@H](c1ccn(CC(=O)OCC)c1)C1CC1 ZINC000091837832 180267639 /nfs/dbraw/zinc/26/76/39/180267639.db2.gz WLMOTPZTPNZEDR-CQSZACIVSA-N 1 0 250.342 2.112 10 0 CEAERO CCCc1nsc(N(C)C2CCC([NH3+])CC2)n1 ZINC000091849451 180270998 /nfs/dbraw/zinc/27/09/98/180270998.db2.gz LOTKFCAQIRFJRF-UHFFFAOYSA-N 1 0 254.403 2.197 10 0 CEAERO CCN(C(=O)Cc1cccs1)C1CCC([NH3+])CC1 ZINC000091850335 180271775 /nfs/dbraw/zinc/27/17/75/180271775.db2.gz FYNRPIRHLWTKLD-UHFFFAOYSA-N 1 0 266.410 2.409 10 0 CEAERO Nc1cccc(SC[C@H](O)[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000091927332 180287767 /nfs/dbraw/zinc/28/77/67/180287767.db2.gz MISGPGZCKSSUER-HOTGVXAUSA-N 1 0 288.416 2.292 10 0 CEAERO CCCN(C(=O)N(C)C)[C@@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000091960678 180292742 /nfs/dbraw/zinc/29/27/42/180292742.db2.gz DJWHZDSVLXUCNF-OCCSQVGLSA-N 1 0 255.406 2.288 10 0 CEAERO COc1ccccc1N(CCC[NH3+])C(=O)N1CCCC1 ZINC000091962963 180293026 /nfs/dbraw/zinc/29/30/26/180293026.db2.gz FFPNSJIINWETKM-UHFFFAOYSA-N 1 0 277.368 2.066 10 0 CEAERO CN(Cc1cccc(C[NH3+])c1)C(=O)N1CCCCC1 ZINC000091969027 180294465 /nfs/dbraw/zinc/29/44/65/180294465.db2.gz AAYWGCKVRQQZCG-UHFFFAOYSA-N 1 0 261.369 2.183 10 0 CEAERO CC[NH2+]C1CCC(N(C)c2nc(C)cnc2C)CC1 ZINC000091870830 180277366 /nfs/dbraw/zinc/27/73/66/180277366.db2.gz LAYYNYBLHUKVNG-UHFFFAOYSA-N 1 0 262.401 2.450 10 0 CEAERO C[NH2+]C1CCC(NC(=O)c2ccc(Cl)cc2O)CC1 ZINC000091871682 180278099 /nfs/dbraw/zinc/27/80/99/180278099.db2.gz WFVYQMXAJNSWCK-UHFFFAOYSA-N 1 0 282.771 2.306 10 0 CEAERO C[C@](O)(c1cccc(Cl)c1)C1(C[NH3+])CCOCC1 ZINC000091905735 180284135 /nfs/dbraw/zinc/28/41/35/180284135.db2.gz BVPBBUYUBDMAIG-ZDUSSCGKSA-N 1 0 269.772 2.303 10 0 CEAERO C[C@@](O)(c1ccccc1Cl)C1(C[NH3+])CCOCC1 ZINC000091905778 180284294 /nfs/dbraw/zinc/28/42/94/180284294.db2.gz YEMMNTCMPUNLTC-CYBMUJFWSA-N 1 0 269.772 2.303 10 0 CEAERO CCOc1cc2c(cc1[C@@H](O)C(C)(C)C[NH3+])O[C@@H](C)C2 ZINC000091909262 180284687 /nfs/dbraw/zinc/28/46/87/180284687.db2.gz CSHCIPUTICVASO-ZUZCIYMTSA-N 1 0 279.380 2.427 10 0 CEAERO [NH3+]CC1([C@@H](O)c2ccc3c(c2)OCCO3)CCCCC1 ZINC000091909281 180284753 /nfs/dbraw/zinc/28/47/53/180284753.db2.gz CZFZELRNBMOHEA-HNNXBMFYSA-N 1 0 277.364 2.400 10 0 CEAERO [NH3+]C[C@@]1([C@H](O)c2ccncc2)CCCc2ccccc21 ZINC000091909581 180284809 /nfs/dbraw/zinc/28/48/09/180284809.db2.gz KXMGMFFPOUTVON-SJORKVTESA-N 1 0 268.360 2.348 10 0 CEAERO CCC(CC)[C@H](O)[C@]1(C[NH3+])COc2ccccc2C1 ZINC000091911273 180285066 /nfs/dbraw/zinc/28/50/66/180285066.db2.gz ZDQWQJZNZCLHJB-JKSUJKDBSA-N 1 0 263.381 2.364 10 0 CEAERO Cc1cc([C@@H](O)C2(C[NH3+])CCOCC2)c(C)s1 ZINC000091913171 180285268 /nfs/dbraw/zinc/28/52/68/180285268.db2.gz TWKQKQQPXUUCDO-GFCCVEGCSA-N 1 0 255.383 2.154 10 0 CEAERO [NH3+]CC1([C@@H](O)c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000091911877 180285287 /nfs/dbraw/zinc/28/52/87/180285287.db2.gz HHZPFWYVXNACIS-LBPRGKRZSA-N 1 0 289.297 2.494 10 0 CEAERO CCC(CC)[C@H](O)[C@@]1(C[NH3+])COc2ccccc2C1 ZINC000091911271 180285327 /nfs/dbraw/zinc/28/53/27/180285327.db2.gz ZDQWQJZNZCLHJB-HOTGVXAUSA-N 1 0 263.381 2.364 10 0 CEAERO COc1ccc([C@H](O)C(C)(C)C[NH3+])c(Cl)c1OC ZINC000091912682 180285374 /nfs/dbraw/zinc/28/53/74/180285374.db2.gz HZYAZTCTSVQIQQ-LBPRGKRZSA-N 1 0 273.760 2.376 10 0 CEAERO [NH3+]CC1([C@@]2(O)CCC[C@@H](C3CC3)C2)CCOCC1 ZINC000091920309 180286642 /nfs/dbraw/zinc/28/66/42/180286642.db2.gz YUTHCUXJCGUFIU-UKRRQHHQSA-N 1 0 253.386 2.073 10 0 CEAERO CCC1CCC(C[NH3+])([C@](C)(O)CC(OC)OC)CC1 ZINC000091925808 180287470 /nfs/dbraw/zinc/28/74/70/180287470.db2.gz CYNCGDDALYEXOS-HNFVBEJKSA-N 1 0 273.417 2.292 10 0 CEAERO CCC[C@H](C(=O)Nc1ccc2c(c1)COC2)[NH+](C)C ZINC000092050280 180311853 /nfs/dbraw/zinc/31/18/53/180311853.db2.gz DDFLXGZQFWKFDL-CQSZACIVSA-N 1 0 262.353 2.386 10 0 CEAERO CN1CCO[C@@H](COC2(C[NH3+])CCC(C(C)(C)C)CC2)C1 ZINC000092053569 180312618 /nfs/dbraw/zinc/31/26/18/180312618.db2.gz CKFJDZDFMSDZHF-ISXOHVOVSA-N 1 0 298.471 2.267 10 0 CEAERO CCC[N@H+](C[C@@H]1CN(CC)CCO1)C1(CN)CCCCC1 ZINC000092051546 180313372 /nfs/dbraw/zinc/31/33/72/180313372.db2.gz KVYIXSGBLPAKRC-INIZCTEOSA-N 1 0 297.487 2.081 10 0 CEAERO C[C@@H]([NH3+])c1cc(Cl)ccc1OC[C@@H]1CN(C)CCO1 ZINC000092054404 180313650 /nfs/dbraw/zinc/31/36/50/180313650.db2.gz IUROUQMIUBUNEH-PWSUYJOCSA-N 1 0 284.787 2.069 10 0 CEAERO [NH3+]C1CCC(OCCCNC(=O)N2CCCCCC2)CC1 ZINC000091971635 180295638 /nfs/dbraw/zinc/29/56/38/180295638.db2.gz RQEBCIWETUTXJB-UHFFFAOYSA-N 1 0 297.443 2.249 10 0 CEAERO CCN(C(=O)N1CCC[C@@H](C)C1)[C@](C)(CC)C[NH3+] ZINC000091972932 180296097 /nfs/dbraw/zinc/29/60/97/180296097.db2.gz LOVURJQMGDDUHM-TZMCWYRMSA-N 1 0 255.406 2.288 10 0 CEAERO CCN(C(=O)N1CCC[C@H](C)C1)C1(C[NH3+])CCCC1 ZINC000091972910 180296297 /nfs/dbraw/zinc/29/62/97/180296297.db2.gz WOAVGLOYBAPREM-ZDUSSCGKSA-N 1 0 267.417 2.432 10 0 CEAERO C[NH2+]CC[C@@H]1CCCCN1C(=O)N1CCC[C@@H](C)C1 ZINC000091991301 180299784 /nfs/dbraw/zinc/29/97/84/180299784.db2.gz SNRXLYZUKZAEQH-KGLIPLIRSA-N 1 0 267.417 2.302 10 0 CEAERO CCN(C(=O)N1CCC(C)CC1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000091991517 180299839 /nfs/dbraw/zinc/29/98/39/180299839.db2.gz VMTRJUFAPXECGC-ZIAGYGMSSA-N 1 0 267.417 2.288 10 0 CEAERO C[C@H]1CCCN(C(=O)NCc2ccccc2C[NH3+])C1 ZINC000091990855 180299990 /nfs/dbraw/zinc/29/99/90/180299990.db2.gz CPPGBLFNNWXCPU-LBPRGKRZSA-N 1 0 261.369 2.087 10 0 CEAERO C[C@H]1CCCN(C(=O)Nc2ccccc2C(N)=[NH2+])C1 ZINC000091993287 180300488 /nfs/dbraw/zinc/30/04/88/180300488.db2.gz BRMMOEHVHCSMRM-JTQLQIEISA-N 1 0 260.341 2.234 10 0 CEAERO COc1cccc(COc2ccc(C)nc2C[NH3+])c1 ZINC000091994000 180301280 /nfs/dbraw/zinc/30/12/80/180301280.db2.gz AGFWGNUNWFJAHV-UHFFFAOYSA-N 1 0 258.321 2.436 10 0 CEAERO C[NH2+]Cc1nc(C)ccc1OCCc1ccncc1 ZINC000091994342 180301582 /nfs/dbraw/zinc/30/15/82/180301582.db2.gz OZQOUPGBYMQXMQ-UHFFFAOYSA-N 1 0 257.337 2.126 10 0 CEAERO CCOC(=O)[C@H](C)Oc1ccc(C)nc1C[NH2+]CC(C)C ZINC000091996419 180301748 /nfs/dbraw/zinc/30/17/48/180301748.db2.gz AUBUSOZEHAYCKH-ZDUSSCGKSA-N 1 0 294.395 2.466 10 0 CEAERO COCCOc1ccc(C)nc1C[NH2+]CC(C)C ZINC000091996358 180302134 /nfs/dbraw/zinc/30/21/34/180302134.db2.gz XOMFQCFUAZBHFF-UHFFFAOYSA-N 1 0 252.358 2.161 10 0 CEAERO Cc1ccc(OC2CCOCC2)c(C[NH2+]C2CC2)n1 ZINC000091995683 180302137 /nfs/dbraw/zinc/30/21/37/180302137.db2.gz ABCYIANFXPIOKE-UHFFFAOYSA-N 1 0 262.353 2.200 10 0 CEAERO CCCN(Cc1nc(C)ccc1O)[C@H]1CCC[NH2+]C1 ZINC000091996132 180302200 /nfs/dbraw/zinc/30/22/00/180302200.db2.gz MRLZFYFBEGITBJ-ZDUSSCGKSA-N 1 0 263.385 2.060 10 0 CEAERO CCNC(=O)[C@@H](C)Oc1ccc(C)nc1C[NH2+]CC(C)C ZINC000091996354 180302238 /nfs/dbraw/zinc/30/22/38/180302238.db2.gz TVPYPNQGZMINDL-CYBMUJFWSA-N 1 0 293.411 2.039 10 0 CEAERO COCC[NH2+]Cc1nc(C)ccc1OC/C=C/Cl ZINC000091996539 180302424 /nfs/dbraw/zinc/30/24/24/180302424.db2.gz WVJHHOJUVSSDBH-ZZXKWVIFSA-N 1 0 270.760 2.257 10 0 CEAERO COCC[NH2+]CC1CCN(C/C(Cl)=C/Cl)CC1 ZINC000092026202 180308414 /nfs/dbraw/zinc/30/84/14/180308414.db2.gz SAOPRYASLPYRBQ-WQLSENKSSA-N 1 0 281.227 2.253 10 0 CEAERO CCC(C)(C)N(C)S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092116211 180328404 /nfs/dbraw/zinc/32/84/04/180328404.db2.gz ULJJVPUEKMGMQU-UHFFFAOYSA-N 1 0 288.388 2.094 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000092133749 180331426 /nfs/dbraw/zinc/33/14/26/180331426.db2.gz NHUPEXNFOFXMCG-GUBZILKMSA-N 1 0 266.307 2.079 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)N1CCCCC[C@@H]1c1cccn1C ZINC000092134206 180332075 /nfs/dbraw/zinc/33/20/75/180332075.db2.gz CMQQXFPEBJLIRJ-UKRRQHHQSA-N 1 0 277.412 2.324 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)Nc1c2nsnc2ccc1Cl ZINC000092137362 180333419 /nfs/dbraw/zinc/33/34/19/180333419.db2.gz POQFTTDPZOHAEM-ZCFIWIBFSA-N 1 0 284.772 2.139 10 0 CEAERO COC(C)(C)c1noc([C@@H]2CCCCC[C@H]2[NH3+])n1 ZINC000092141329 180333681 /nfs/dbraw/zinc/33/36/81/180333681.db2.gz OVQJOKQWTYEZGX-NXEZZACHSA-N 1 0 253.346 2.326 10 0 CEAERO COCC[NH2+]CCCc1c(C)nc(C(C)(C)OC)nc1C ZINC000092140996 180333687 /nfs/dbraw/zinc/33/36/87/180333687.db2.gz ZPBKAJIUMQFIII-UHFFFAOYSA-N 1 0 295.427 2.144 10 0 CEAERO CC[NH2+][C@H](CC)[C@@H](C)c1nc(C(C)(C)OC)no1 ZINC000092141636 180334167 /nfs/dbraw/zinc/33/41/67/180334167.db2.gz VGLFRRMPOPJGBD-NXEZZACHSA-N 1 0 255.362 2.443 10 0 CEAERO C[NH2+][C@H](C)[C@H](c1nc(C(C)(C)OC)no1)C(C)C ZINC000092141576 180334537 /nfs/dbraw/zinc/33/45/37/180334537.db2.gz REFHRYIRPADGBQ-NXEZZACHSA-N 1 0 255.362 2.299 10 0 CEAERO O=C(CCCO)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000092151312 180334977 /nfs/dbraw/zinc/33/49/77/180334977.db2.gz LBZJVKJKYJGVCB-UHFFFAOYSA-N 1 0 282.428 2.064 10 0 CEAERO CCOC(=O)[C@](C)(CC[N@@H+]1C[C@H](C)[C@H](C)C1)NC(C)C ZINC000092087483 180321444 /nfs/dbraw/zinc/32/14/44/180321444.db2.gz QIDLWWUQOFCAJB-LZWOXQAQSA-N 1 0 284.444 2.284 10 0 CEAERO CC[C@H]([NH3+])c1cccc(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)c1 ZINC000092091254 180321954 /nfs/dbraw/zinc/32/19/54/180321954.db2.gz XWPPTJHROSEVSK-ZOWXZIJZSA-N 1 0 296.436 2.373 10 0 CEAERO CCC[NH2+][C@H](CN1C(=O)[C@H](C)[C@H](C)C1=O)C(C)(C)C ZINC000092094251 180323101 /nfs/dbraw/zinc/32/31/01/180323101.db2.gz DRHHJDVRJPFGSC-GRYCIOLGSA-N 1 0 268.401 2.042 10 0 CEAERO CC(C)OC(=O)c1ccc(NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)cc1 ZINC000092202708 180343276 /nfs/dbraw/zinc/34/32/76/180343276.db2.gz GTCYOCDHZHMCKJ-CHWSQXEVSA-N 1 0 288.347 2.094 10 0 CEAERO CCc1nc2cc(NC(=O)[C@@H]3C=C[C@@H]([NH3+])C3)ccc2o1 ZINC000092204310 180343581 /nfs/dbraw/zinc/34/35/81/180343581.db2.gz XCNPLIVTADCUCH-NXEZZACHSA-N 1 0 271.320 2.232 10 0 CEAERO COCC[NH2+]C[C@]1(C[C@H]2COc3ccccc32)CCOC1 ZINC000092306248 180360090 /nfs/dbraw/zinc/36/00/90/180360090.db2.gz CZURVZHLPALPTJ-WMLDXEAASA-N 1 0 291.391 2.195 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC000092203776 180343745 /nfs/dbraw/zinc/34/37/45/180343745.db2.gz FBMVYJSDXXMOEQ-ZRUFSTJUSA-N 1 0 276.302 2.127 10 0 CEAERO CN(CCOc1ccc(Cl)cc1)C(=O)[C@@H]1C=C[C@H]([NH3+])C1 ZINC000092204444 180343896 /nfs/dbraw/zinc/34/38/96/180343896.db2.gz FUJTVFUFWXFWIJ-YPMHNXCESA-N 1 0 294.782 2.081 10 0 CEAERO C[C@H](c1cc(F)ccc1F)N(C)C(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092204926 180344094 /nfs/dbraw/zinc/34/40/94/180344094.db2.gz RBGZOWLOMQFJJP-JFGNBEQYSA-N 1 0 280.318 2.388 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)N[C@@H]2CCCc3sccc32)C1 ZINC000092207405 180344163 /nfs/dbraw/zinc/34/41/63/180344163.db2.gz GDCQPQXDSHRRGN-CKYFFXLPSA-N 1 0 262.378 2.145 10 0 CEAERO Cc1ccc([C@H](C)N(C)C(=O)[C@H]2C=C[C@@H]([NH3+])C2)cc1 ZINC000092204910 180344335 /nfs/dbraw/zinc/34/43/35/180344335.db2.gz QHNYGRHTCAAZJH-AEGPPILISA-N 1 0 258.365 2.418 10 0 CEAERO CCCOc1ccc(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)cc1 ZINC000092207291 180344375 /nfs/dbraw/zinc/34/43/75/180344375.db2.gz ROHURGHWHUKQCB-NWDGAFQWSA-N 1 0 260.337 2.317 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)s1 ZINC000092206924 180344414 /nfs/dbraw/zinc/34/44/14/180344414.db2.gz QBFOEROHYFFPLR-HBNTYKKESA-N 1 0 250.367 2.137 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2c3nsnc3ccc2Cl)C1 ZINC000092208362 180344887 /nfs/dbraw/zinc/34/48/87/180344887.db2.gz MOIDTKLBLCMJCI-RNFRBKRXSA-N 1 0 294.767 2.187 10 0 CEAERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1cccc(F)c1 ZINC000105872226 186080661 /nfs/dbraw/zinc/08/06/61/186080661.db2.gz UXCAVQBUGYKBKV-MFKMUULPSA-N 1 0 260.316 2.083 10 0 CEAERO C[C@@H]([NH3+])Cc1noc([C@@H]2Cc3ccccc3S2)n1 ZINC000092234153 180348986 /nfs/dbraw/zinc/34/89/86/180348986.db2.gz QELPCFWTRFDUFT-KCJUWKMLSA-N 1 0 261.350 2.349 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C)N1C(=O)[C@@H]1CSc2ccccc21 ZINC000092239511 180350747 /nfs/dbraw/zinc/35/07/47/180350747.db2.gz JIKYLLDDKHKINS-NQBHXWOUSA-N 1 0 276.405 2.085 10 0 CEAERO C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CSc2ccccc21 ZINC000092239330 180350766 /nfs/dbraw/zinc/35/07/66/180350766.db2.gz VGSNRZGEUSNXAM-JSGCOSHPSA-N 1 0 290.432 2.476 10 0 CEAERO C[NH2+]Cc1cn(C[C@H]2COc3ccccc32)nc1C ZINC000092306685 180360367 /nfs/dbraw/zinc/36/03/67/180360367.db2.gz YFFJXAFCYUDMKS-ZDUSSCGKSA-N 1 0 257.337 2.087 10 0 CEAERO CC[NH2+]Cc1ncnn1C[C@H]1Cc2ccccc2S1 ZINC000092271264 180355660 /nfs/dbraw/zinc/35/56/60/180355660.db2.gz WXYATDFNTUYALZ-GFCCVEGCSA-N 1 0 274.393 2.105 10 0 CEAERO CC(C)([NH3+])c1cn(C[C@H]2Cc3ccccc3S2)nn1 ZINC000092270308 180355800 /nfs/dbraw/zinc/35/58/00/180355800.db2.gz YCDBMZOXVWXMTN-LLVKDONJSA-N 1 0 274.393 2.189 10 0 CEAERO C[C@H](CN1CCOCC1)[NH2+]C[C@@H]1CSc2ccccc21 ZINC000092275155 180356180 /nfs/dbraw/zinc/35/61/80/180356180.db2.gz YBKBEDFWPRHGLW-ZIAGYGMSSA-N 1 0 292.448 2.186 10 0 CEAERO c1ccc2c(c1)SC[C@H]2C[NH2+]CCCN1CCOCC1 ZINC000092274800 180356234 /nfs/dbraw/zinc/35/62/34/180356234.db2.gz ZRVGSUSIOJQWEV-CQSZACIVSA-N 1 0 292.448 2.188 10 0 CEAERO CC[NH2+]CCN(C)C[C@@H]1CSc2ccccc21 ZINC000092288518 180358107 /nfs/dbraw/zinc/35/81/07/180358107.db2.gz MVBAYYLSQRJYAC-GFCCVEGCSA-N 1 0 250.411 2.417 10 0 CEAERO C[C@H](Cn1ccnc1)[NH2+]C[C@H]1COc2ccccc21 ZINC000092300150 180358866 /nfs/dbraw/zinc/35/88/66/180358866.db2.gz MTADMULGFDIFLX-OLZOCXBDSA-N 1 0 257.337 2.037 10 0 CEAERO Fc1ccccc1C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105884491 186082621 /nfs/dbraw/zinc/08/26/21/186082621.db2.gz KWXWWMGLUOXWEM-ZDUSSCGKSA-N 1 0 274.343 2.329 10 0 CEAERO CCn1cc(CN2CCC[N@H+](Cc3ccccn3)CC2)cn1 ZINC000105917768 186088993 /nfs/dbraw/zinc/08/89/93/186088993.db2.gz GGNVUZCHLSUWJA-UHFFFAOYSA-N 1 0 299.422 2.006 10 0 CEAERO Cc1nn(-c2ccc(Br)cn2)c(C)c1CC[NH3+] ZINC000092320221 180361707 /nfs/dbraw/zinc/36/17/07/180361707.db2.gz RUDCYAAOHACZBV-UHFFFAOYSA-N 1 0 295.184 2.148 10 0 CEAERO CC[C@@H](c1ccccc1)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105924492 186090892 /nfs/dbraw/zinc/09/08/92/186090892.db2.gz IXXLOUPXPPLRHR-CVEARBPZSA-N 1 0 262.397 2.400 10 0 CEAERO CCOC(=O)CC[N@@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000105922266 186091292 /nfs/dbraw/zinc/09/12/92/186091292.db2.gz STINDBLKGJEPFF-ZDUSSCGKSA-N 1 0 279.384 2.127 10 0 CEAERO Cc1nn(C)c(C)c1CN1CC[C@H](C[NH2+]CC(C)C)C1 ZINC000092339835 180364941 /nfs/dbraw/zinc/36/49/41/180364941.db2.gz OCFOFCVERWOLRB-OAHLLOKOSA-N 1 0 278.444 2.104 10 0 CEAERO Cc1nn(C)c(C)c1CN1Cc2ccccc2C1=[NH2+] ZINC000092339975 180365409 /nfs/dbraw/zinc/36/54/09/180365409.db2.gz MUOOPNJAWWCUQJ-UHFFFAOYSA-N 1 0 254.337 2.378 10 0 CEAERO CCC[C@H]1CN([C@@H](C)c2c(C)noc2C)CC[NH2+]1 ZINC000092342256 180366112 /nfs/dbraw/zinc/36/61/12/180366112.db2.gz DHOPIIZFRBBCNV-AAEUAGOBSA-N 1 0 251.374 2.426 10 0 CEAERO CCC1(CC)CN(Cc2c(C)noc2C)CC[NH2+]1 ZINC000092342624 180366512 /nfs/dbraw/zinc/36/65/12/180366512.db2.gz HXUNJOIVJRZVFX-UHFFFAOYSA-N 1 0 251.374 2.255 10 0 CEAERO Cc1noc(C)c1CN1CC[NH2+][C@H](c2ccccc2)C1 ZINC000092342670 180366657 /nfs/dbraw/zinc/36/66/57/180366657.db2.gz MDZFUTKSVSISCA-INIZCTEOSA-N 1 0 271.364 2.438 10 0 CEAERO COc1ccc2c(c1)[C@]([NH3+])(CCCS(C)(=O)=O)CCC2 ZINC000092367221 180369887 /nfs/dbraw/zinc/36/98/87/180369887.db2.gz XKPZUVXWYCGFAE-OAHLLOKOSA-N 1 0 297.420 2.010 10 0 CEAERO CCCNc1cccc(CN2CCC[C@H]([NH+](C)C)C2)n1 ZINC000092371269 180370279 /nfs/dbraw/zinc/37/02/79/180370279.db2.gz DTXAQSYNYLNXPG-HNNXBMFYSA-N 1 0 276.428 2.430 10 0 CEAERO COc1ccc2c(c1)[C@H](O)[C@H]([N@@H+]1CCCO[C@@H](C)C1)CC2 ZINC000092387923 180374434 /nfs/dbraw/zinc/37/44/34/180374434.db2.gz IRIUBICSNIBQNB-VUCTXSBTSA-N 1 0 291.391 2.154 10 0 CEAERO COc1ccc2c(c1)[C@H](O)[C@@H]([N@H+](C)C1CCOCC1)CC2 ZINC000092387815 180374550 /nfs/dbraw/zinc/37/45/50/180374550.db2.gz LRKAPIHJYXEKIM-IRXDYDNUSA-N 1 0 291.391 2.154 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@H](Sc1nnc(C)o1)CC2 ZINC000092389890 180375083 /nfs/dbraw/zinc/37/50/83/180375083.db2.gz DLOJJQKHVBPIFI-OLZOCXBDSA-N 1 0 291.376 2.494 10 0 CEAERO C[NH2+][C@H]1c2cc(OC)ccc2CC[C@@H]1Sc1nc[nH]n1 ZINC000092389667 180375191 /nfs/dbraw/zinc/37/51/91/180375191.db2.gz GYLSXKYEFABFMN-STQMWFEESA-N 1 0 290.392 2.181 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH2+][C@H](CO)C(C)C)CCO2 ZINC000092393264 180376219 /nfs/dbraw/zinc/37/62/19/180376219.db2.gz OIBNPQDQKHITAQ-ZIAGYGMSSA-N 1 0 265.353 2.125 10 0 CEAERO CCCNc1cc[nH+]c(CN2CCCC[C@H]2C(=O)NC)c1 ZINC000092418602 180380902 /nfs/dbraw/zinc/38/09/02/180380902.db2.gz BRVGNFCOGRNCQR-HNNXBMFYSA-N 1 0 290.411 2.004 10 0 CEAERO CCC[C@@H](CC)[NH2+][C@H]1CC(=O)N([C@@H](C)CC)C1=O ZINC000106534166 186125685 /nfs/dbraw/zinc/12/56/85/186125685.db2.gz YNEVYKMFHRXIAL-TUAOUCFPSA-N 1 0 254.374 2.081 10 0 CEAERO CNc1cc[nH+]c(Cn2cc(Br)ccc2=O)c1 ZINC000092419564 180382090 /nfs/dbraw/zinc/38/20/90/180382090.db2.gz BUDGYAHMALEIAZ-UHFFFAOYSA-N 1 0 294.152 2.096 10 0 CEAERO CNc1cc[nH+]c(Cn2ccc(=O)c3ccccc32)c1 ZINC000092419750 180382338 /nfs/dbraw/zinc/38/23/38/180382338.db2.gz PUTGTZBHPQDTSZ-UHFFFAOYSA-N 1 0 265.316 2.487 10 0 CEAERO CNc1cc[nH+]c(CSc2nnc3ccccn32)c1 ZINC000092420989 180382402 /nfs/dbraw/zinc/38/24/02/180382402.db2.gz LWADIKXVXXWQCU-UHFFFAOYSA-N 1 0 271.349 2.458 10 0 CEAERO CCNc1cc[nH+]c(Cn2nnc(-c3ccccc3)n2)c1 ZINC000092419501 180382762 /nfs/dbraw/zinc/38/27/62/180382762.db2.gz ZJOHHRKXNVYYCE-UHFFFAOYSA-N 1 0 280.335 2.215 10 0 CEAERO COCCN(C1CC1)[C@@H]1CCc2ccc(OC)cc2[C@@H]1[NH3+] ZINC000092385745 180373479 /nfs/dbraw/zinc/37/34/79/180373479.db2.gz ROHDQWBZHCNHJC-SJORKVTESA-N 1 0 290.407 2.121 10 0 CEAERO COc1ccc2c(c1)[C@@H](N)[C@@H]([NH+]1CCCCC1)CC2 ZINC000092385232 180373711 /nfs/dbraw/zinc/37/37/11/180373711.db2.gz VKDIWLCSYLYWPX-JKSUJKDBSA-N 1 0 260.381 2.496 10 0 CEAERO COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)CS(C)(=O)=O)CCC2 ZINC000092384230 180373733 /nfs/dbraw/zinc/37/37/33/180373733.db2.gz AXBMHSOJQJSSOD-ABAIWWIYSA-N 1 0 297.420 2.095 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@H](n1cc(C)cn1)CC2 ZINC000092386106 180374112 /nfs/dbraw/zinc/37/41/12/180374112.db2.gz PSHXFHYYYSUBAG-CABCVRRESA-N 1 0 257.337 2.387 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@H](n1ccc(C)n1)CC2 ZINC000092386193 180374120 /nfs/dbraw/zinc/37/41/20/180374120.db2.gz TZPLNODCHMZFLF-CABCVRRESA-N 1 0 257.337 2.387 10 0 CEAERO CC[N@@H+]1CCC[C@H]([NH+](CC(=O)[O-])C(C)(C)C)CC1 ZINC000092450935 180388155 /nfs/dbraw/zinc/38/81/55/180388155.db2.gz CFTVWNNOCJAMRD-LBPRGKRZSA-N 1 0 256.390 2.046 10 0 CEAERO C[NH2+]CCNc1ccnc2cc(Br)cnc21 ZINC000130604649 365972224 /nfs/dbraw/zinc/97/22/24/365972224.db2.gz ZMADYPOVTVKVJX-UHFFFAOYSA-N 1 0 281.157 2.024 10 0 CEAERO C[C@@H](C[NH+]1CCCCC1)n1c(N)nc2cnccc21 ZINC000092513808 180399916 /nfs/dbraw/zinc/39/99/16/180399916.db2.gz FJOQIPAGNWCCCA-NSHDSACASA-N 1 0 259.357 2.060 10 0 CEAERO CCCc1nn(C)c2c1nc(N)n2[C@H](C[NH+](C)C)C(C)C ZINC000092580654 180407831 /nfs/dbraw/zinc/40/78/31/180407831.db2.gz KRVRJGAMJMIXNQ-GFCCVEGCSA-N 1 0 292.431 2.063 10 0 CEAERO CCc1ccc([C@@H](C)[NH2+]Cc2cc(=O)n3nccc3[nH]2)cc1 ZINC000108850735 186232720 /nfs/dbraw/zinc/23/27/20/186232720.db2.gz STLIEZNXAKBGCE-GFCCVEGCSA-N 1 0 296.374 2.436 10 0 CEAERO CCC[NH2+][C@H](COC)Cc1nc(-c2ccccc2)no1 ZINC000109499044 186257402 /nfs/dbraw/zinc/25/74/02/186257402.db2.gz SSQGOMWRDBSEOY-ZDUSSCGKSA-N 1 0 275.352 2.294 10 0 CEAERO CCC[NH2+][C@H](Cc1nc(-c2ncccn2)no1)C(C)C ZINC000109505471 186257451 /nfs/dbraw/zinc/25/74/51/186257451.db2.gz HNTVKKJHFINXKI-LLVKDONJSA-N 1 0 275.356 2.093 10 0 CEAERO C[NH2+][C@@H](Cc1nc(-c2ccccc2F)no1)C1CC1 ZINC000109510093 186258080 /nfs/dbraw/zinc/25/80/80/186258080.db2.gz DMKUXDIFLDGPBE-LBPRGKRZSA-N 1 0 261.300 2.416 10 0 CEAERO CC[NH2+]C1CCC(c2nc(-c3cnccn3)no2)CC1 ZINC000109507242 186258494 /nfs/dbraw/zinc/25/84/94/186258494.db2.gz XATZYAHRMGRYCB-UHFFFAOYSA-N 1 0 273.340 2.162 10 0 CEAERO CC[NH2+][C@@H]1CCCCC[C@H]1c1nc(COC)no1 ZINC000109518845 186259171 /nfs/dbraw/zinc/25/91/71/186259171.db2.gz CFJCLCGCEJCFHX-GHMZBOCLSA-N 1 0 253.346 2.242 10 0 CEAERO CC(C)[C@H]([NH3+])Cc1nc(CCc2ccccc2)no1 ZINC000109515515 186259527 /nfs/dbraw/zinc/25/95/27/186259527.db2.gz PKMJJGDLISBRAY-CYBMUJFWSA-N 1 0 259.353 2.381 10 0 CEAERO COc1ccc(CN2C[C@@H](C)C[NH2+]C[C@H](C)C2)c(OC)c1 ZINC000109555073 186263169 /nfs/dbraw/zinc/26/31/69/186263169.db2.gz DFGOXAHZKVUVOF-KBPBESRZSA-N 1 0 292.423 2.381 10 0 CEAERO CCC[NH2+][C@@H]1C(=O)Nc2cc(OC[C@@H]3CCCO3)ccc21 ZINC000109573896 186263997 /nfs/dbraw/zinc/26/39/97/186263997.db2.gz RFKANESVCBQTQI-WFASDCNBSA-N 1 0 290.363 2.237 10 0 CEAERO CC[C@H]([NH2+]CCc1nncn1C)c1ccc(OC)cc1 ZINC000109421091 186251867 /nfs/dbraw/zinc/25/18/67/186251867.db2.gz QIWJWDHMOGVHSF-AWEZNQCLSA-N 1 0 274.368 2.107 10 0 CEAERO c1cc2c(s1)CCc1sc(CN3CC[NH2+]CC3)nc1-2 ZINC000109432502 186252378 /nfs/dbraw/zinc/25/23/78/186252378.db2.gz IQMAVPGJGIOAEA-UHFFFAOYSA-N 1 0 291.445 2.375 10 0 CEAERO CC(C)[C@H]1CCc2nc(CN3CC[NH2+]CC3)sc2C1 ZINC000109432495 186252433 /nfs/dbraw/zinc/25/24/33/186252433.db2.gz PKCISCUHUYLYKW-LBPRGKRZSA-N 1 0 279.453 2.309 10 0 CEAERO CCC[C@H](c1nc(CC)cs1)N1CC[NH2+]CC1 ZINC000109472816 186254869 /nfs/dbraw/zinc/25/48/69/186254869.db2.gz DAMNFZPNHLMUIG-GFCCVEGCSA-N 1 0 253.415 2.452 10 0 CEAERO CC(C)c1cc(C2CC2)nc([C@@H](C)N2CC[NH2+]CC2)n1 ZINC000109475657 186254896 /nfs/dbraw/zinc/25/48/96/186254896.db2.gz SCVFMVLEZPGLJT-GFCCVEGCSA-N 1 0 274.412 2.444 10 0 CEAERO NC(=S)c1ccccc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000110278585 186289833 /nfs/dbraw/zinc/28/98/33/186289833.db2.gz FMBINLFVUJCRLJ-CYBMUJFWSA-N 1 0 289.448 2.385 10 0 CEAERO Cc1nnc(S[C@@H](c2cccs2)[C@H](C)[NH3+])n1C ZINC000110353444 186293745 /nfs/dbraw/zinc/29/37/45/186293745.db2.gz ZVYRKXWWOWFTLI-OIBJUYFYSA-N 1 0 268.411 2.366 10 0 CEAERO CC(C)Nc1ccccc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000110417948 186295661 /nfs/dbraw/zinc/29/56/61/186295661.db2.gz RXHXAOVYMYDGCX-CYBMUJFWSA-N 1 0 275.396 2.283 10 0 CEAERO CCC[C@@H](Cc1nc(CC(F)(F)F)no1)[NH2+]CC ZINC000110461380 186297170 /nfs/dbraw/zinc/29/71/70/186297170.db2.gz VZFKWTVPSHAKGC-QMMMGPOBSA-N 1 0 265.279 2.495 10 0 CEAERO CC[NH2+][C@H](CC)[C@@H](C)c1nc(-c2cnccn2)no1 ZINC000110470108 186297890 /nfs/dbraw/zinc/29/78/90/186297890.db2.gz PUEGDTOZEDJHLE-NXEZZACHSA-N 1 0 261.329 2.018 10 0 CEAERO C[NH2+][C@H](c1ccc2c(c1)OCCO2)c1cccc(C)n1 ZINC000110481174 186298965 /nfs/dbraw/zinc/29/89/65/186298965.db2.gz UMKQYHVIUJLAGV-MRXNPFEDSA-N 1 0 270.332 2.470 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](O[C@@H]1CCOC1)c1ccccc1F ZINC000110525796 186301110 /nfs/dbraw/zinc/30/11/10/186301110.db2.gz YLDQTRIZGTXKBS-HONMWMINSA-N 1 0 253.317 2.410 10 0 CEAERO CC(C)(C)[NH2+]Cc1occc1CO[C@@H]1CCOC1 ZINC000110532901 186301504 /nfs/dbraw/zinc/30/15/04/186301504.db2.gz OGDRQAIPDZNIHZ-GFCCVEGCSA-N 1 0 253.342 2.473 10 0 CEAERO [NH3+]CC1(C(=O)Nc2nc3ccccc3[nH]2)CCCCC1 ZINC000110537944 186301718 /nfs/dbraw/zinc/30/17/18/186301718.db2.gz XZQJOWKXDJKECI-UHFFFAOYSA-N 1 0 272.352 2.411 10 0 CEAERO CC[C@H]1CCCN(C(=O)Cc2ccc(C[NH3+])cc2)C1 ZINC000110612273 186304959 /nfs/dbraw/zinc/30/49/59/186304959.db2.gz NGZCKRSDHAQBEI-ZDUSSCGKSA-N 1 0 260.381 2.336 10 0 CEAERO C[C@@H]1[C@@H](C)CCCN1C(=O)Cc1ccc(C[NH3+])cc1 ZINC000110613877 186305622 /nfs/dbraw/zinc/30/56/22/186305622.db2.gz UQLUKPQTMFAOEZ-QWHCGFSZSA-N 1 0 260.381 2.335 10 0 CEAERO C[C@@H]1CCC[C@@H](NC(=O)Cc2ccc(C[NH3+])cc2)C1 ZINC000110612037 186305959 /nfs/dbraw/zinc/30/59/59/186305959.db2.gz PDCWVEJFNLPJJH-IUODEOHRSA-N 1 0 260.381 2.383 10 0 CEAERO C[C@@H]1CCN(C(=O)Cc2ccc(C[NH3+])cc2)[C@@H](C)C1 ZINC000110613990 186306037 /nfs/dbraw/zinc/30/60/37/186306037.db2.gz HOZOTEIKXPKKDI-OLZOCXBDSA-N 1 0 260.381 2.335 10 0 CEAERO CCOc1cc(NCC[N@H+](C)C2CC2)c(N)cc1F ZINC000110634643 186307499 /nfs/dbraw/zinc/30/74/99/186307499.db2.gz YZJDWBQUSZPHGT-UHFFFAOYSA-N 1 0 267.348 2.313 10 0 CEAERO CCOc1cc(N(C)C[C@H]2CC[N@H+](C)C2)c(N)cc1F ZINC000110634757 186307677 /nfs/dbraw/zinc/30/76/77/186307677.db2.gz TVMYLJOOMHFGAV-NSHDSACASA-N 1 0 281.375 2.195 10 0 CEAERO COC(=O)[C@H](C(C)C)n1c(N)[nH+]c2cc(F)c(OC)cc21 ZINC000110629925 186307989 /nfs/dbraw/zinc/30/79/89/186307989.db2.gz FHBCQXMAJKMMOV-LBPRGKRZSA-N 1 0 295.314 2.136 10 0 CEAERO CCOC[C@@H](C)n1c(N)[nH+]c2cc(F)c(OC)cc21 ZINC000110629965 186307998 /nfs/dbraw/zinc/30/79/98/186307998.db2.gz WVCYJYCRCUYHIM-MRVPVSSYSA-N 1 0 267.304 2.364 10 0 CEAERO COc1cc2c(cc1F)[nH+]c(N)n2[C@@H](C)Cn1ccnc1 ZINC000110629854 186308090 /nfs/dbraw/zinc/30/80/90/186308090.db2.gz BDNBSKHPDWDHFN-VIFPVBQESA-N 1 0 289.314 2.224 10 0 CEAERO NC[C@]1([NH2+]C2CC2)CCc2cc(Br)ccc2C1 ZINC000110829465 186327369 /nfs/dbraw/zinc/32/73/69/186327369.db2.gz SMOVYPBXCBVPPL-AWEZNQCLSA-N 1 0 295.224 2.387 10 0 CEAERO C[C@H](Cc1ccsc1)NC(=O)C[NH2+]C(C)(C)C ZINC000110840096 186328885 /nfs/dbraw/zinc/32/88/85/186328885.db2.gz LCXRKTBFCGZSHK-SNVBAGLBSA-N 1 0 254.399 2.183 10 0 CEAERO CC(C)[NH2+][C@](C)(CC[N@H+](C)CC1CCCC1)C(=O)[O-] ZINC000110841077 186329085 /nfs/dbraw/zinc/32/90/85/186329085.db2.gz GEVZDQZSUOCOAL-OAHLLOKOSA-N 1 0 270.417 2.340 10 0 CEAERO CCCCOC[C@@H](O)C[N@@H+]1C[C@@H]2CCCC[C@@]21C ZINC000626103602 350654049 /nfs/dbraw/zinc/65/40/49/350654049.db2.gz HOFGPHZXXJNQQH-KKUMJFAQSA-N 1 0 255.402 2.429 10 0 CEAERO CCCc1nc(CN(C)[C@H]2CCC[NH2+]C2)cs1 ZINC000110931142 186333078 /nfs/dbraw/zinc/33/30/78/186333078.db2.gz GDBUGTYPHSKROE-LBPRGKRZSA-N 1 0 253.415 2.279 10 0 CEAERO CN(Cc1ccc2ncccc2c1)[C@@H]1CCC[NH2+]C1 ZINC000110932106 186333349 /nfs/dbraw/zinc/33/33/49/186333349.db2.gz ZBLHTFGXBKBVLZ-OAHLLOKOSA-N 1 0 255.365 2.419 10 0 CEAERO CN(CCOc1ccccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000110931278 186333371 /nfs/dbraw/zinc/33/33/71/186333371.db2.gz DVFIIGXULOUUJI-GFCCVEGCSA-N 1 0 268.788 2.403 10 0 CEAERO CC(C)c1nc(CN(C)[C@H]2CCC[NH2+]C2)cs1 ZINC000110929618 186333849 /nfs/dbraw/zinc/33/38/49/186333849.db2.gz UEKNYOXHABFTPW-LBPRGKRZSA-N 1 0 253.415 2.450 10 0 CEAERO Cc1ccc(NC(=O)CN(C)[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000110930445 186333980 /nfs/dbraw/zinc/33/39/80/186333980.db2.gz UYAXJSMWBXHQRF-CYBMUJFWSA-N 1 0 295.814 2.271 10 0 CEAERO NC(=S)Cc1nc2ccccc2n1-c1cc[nH+]cc1 ZINC000110949761 186335190 /nfs/dbraw/zinc/33/51/90/186335190.db2.gz PEZGAOVGAJLGIC-UHFFFAOYSA-N 1 0 268.345 2.249 10 0 CEAERO CCCN(Cc1nnsc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000110946639 186335220 /nfs/dbraw/zinc/33/52/20/186335220.db2.gz VHIQZXFCFJLMDL-SECBINFHSA-N 1 0 274.821 2.156 10 0 CEAERO [NH3+]CCc1nc2ccccc2n1CCc1ccncc1 ZINC000110948947 186335927 /nfs/dbraw/zinc/33/59/27/186335927.db2.gz XGUOBZKKRAWQOH-UHFFFAOYSA-N 1 0 266.348 2.175 10 0 CEAERO CCCN(CCc1scnc1C)[C@H]1CCC[NH2+]C1 ZINC000110945959 186336043 /nfs/dbraw/zinc/33/60/43/186336043.db2.gz MSWXUIDRCQJTRQ-ZDUSSCGKSA-N 1 0 267.442 2.458 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1c1nc(Cc2nc3ccccc3[nH]2)no1 ZINC000110951451 186336196 /nfs/dbraw/zinc/33/61/96/186336196.db2.gz LQBGRWGZQPLEFF-UWVGGRQHSA-N 1 0 283.335 2.132 10 0 CEAERO C[NH2+][C@H](C)c1ccc(C)cc1O[C@@H](C)C(=O)OC ZINC000110960301 186336357 /nfs/dbraw/zinc/33/63/57/186336357.db2.gz ZXSHNESLXHQCJG-MNOVXSKESA-N 1 0 251.326 2.216 10 0 CEAERO Cc1ccc([C@H](C)[NH3+])c(OCC(=O)N(C)C2CC2)c1 ZINC000110957754 186336596 /nfs/dbraw/zinc/33/65/96/186336596.db2.gz LFHPORQZFDEGIB-NSHDSACASA-N 1 0 262.353 2.014 10 0 CEAERO Cc1ccc([C@@H](C)[NH3+])c(OCC(=O)NC2CCCC2)c1 ZINC000110957784 186336948 /nfs/dbraw/zinc/33/69/48/186336948.db2.gz KMDDGFSRFDDLGV-GFCCVEGCSA-N 1 0 276.380 2.452 10 0 CEAERO C[NH2+][C@@H](C)CCc1nc(Cc2nc3ccccc3[nH]2)no1 ZINC000110951497 186336954 /nfs/dbraw/zinc/33/69/54/186336954.db2.gz YMPZZWJXDMFERQ-JTQLQIEISA-N 1 0 285.351 2.077 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(C)cc1OC[C@H]1CNC(=O)O1 ZINC000110960807 186337835 /nfs/dbraw/zinc/33/78/35/186337835.db2.gz YNOSAQHZZCKBQV-VXGBXAGGSA-N 1 0 278.352 2.153 10 0 CEAERO CCC[NH2+][C@H](C)c1ccc(C)cc1O[C@@H](C)C(N)=O ZINC000110961926 186338186 /nfs/dbraw/zinc/33/81/86/186338186.db2.gz NDERSNXKVNPCDR-NEPJUHHUSA-N 1 0 264.369 2.308 10 0 CEAERO CC[C@H]1CN(C(=O)Nc2ccc(C(C)=O)cc2)CC[N@@H+]1C ZINC000110694632 186313426 /nfs/dbraw/zinc/31/34/26/186313426.db2.gz BRHIXIWYYXOMHW-HNNXBMFYSA-N 1 0 289.379 2.447 10 0 CEAERO CC[N@@H+]1CCN(C(=O)c2cc(C)ccc2NC)C[C@@H]1C ZINC000110696642 186314892 /nfs/dbraw/zinc/31/48/92/186314892.db2.gz XVYJBVYSHVJQSY-ZDUSSCGKSA-N 1 0 275.396 2.203 10 0 CEAERO CC[C@H]1C[N@@H+]([C@@H]2CCCc3ccccc3[C@@H]2O)CCN1C ZINC000110736197 186317328 /nfs/dbraw/zinc/31/73/28/186317328.db2.gz JCQOGDHRRNOYFU-JQHSSLGASA-N 1 0 288.435 2.451 10 0 CEAERO Cc1nc(C[NH3+])sc1-c1nc(-c2ncccc2C)no1 ZINC000110791078 186324190 /nfs/dbraw/zinc/32/41/90/186324190.db2.gz WDKNNELMFFKYBZ-UHFFFAOYSA-N 1 0 287.348 2.331 10 0 CEAERO CCN(c1ncnc2sc(C)cc21)[C@@H]1CC[NH2+]C1 ZINC000110779435 186324280 /nfs/dbraw/zinc/32/42/80/186324280.db2.gz YRBPNVPTNCHTPK-SNVBAGLBSA-N 1 0 262.382 2.188 10 0 CEAERO CCOC(=O)c1cc(C)sc1NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000110777645 186324713 /nfs/dbraw/zinc/32/47/13/186324713.db2.gz YHDSLRXRDVDIBV-AWEZNQCLSA-N 1 0 296.392 2.171 10 0 CEAERO Cc1cc(N[C@@H]2CCC(=O)NC2)c2ccccc2[nH+]1 ZINC000111021846 186345416 /nfs/dbraw/zinc/34/54/16/186345416.db2.gz RUJJSTISVAQYFH-LLVKDONJSA-N 1 0 255.321 2.234 10 0 CEAERO NC(=O)c1cc(F)ccc1N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000111027108 186345582 /nfs/dbraw/zinc/34/55/82/186345582.db2.gz VPHMEHYWPITGFB-LLVKDONJSA-N 1 0 277.343 2.011 10 0 CEAERO [NH3+]C[C@@H](Cc1cccc(F)c1F)C(=O)N1CCCCC1 ZINC000111037559 186346790 /nfs/dbraw/zinc/34/67/90/186346790.db2.gz HSZGGTKEVNPUAV-GFCCVEGCSA-N 1 0 282.334 2.095 10 0 CEAERO CC[C@@H]1CN([C@@H](C[NH3+])c2cccc(F)c2F)CCO1 ZINC000111039269 186346914 /nfs/dbraw/zinc/34/69/14/186346914.db2.gz WJYZMMDKSPEVLH-MFKMUULPSA-N 1 0 270.323 2.075 10 0 CEAERO NC(=S)c1cc(F)ccc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000111032878 186347236 /nfs/dbraw/zinc/34/72/36/186347236.db2.gz JYBJESSBXISWBT-GFCCVEGCSA-N 1 0 293.411 2.134 10 0 CEAERO CCCNc1ncc(C(=O)N(C)CC[NH+](C)C)cc1Cl ZINC000111151659 186360739 /nfs/dbraw/zinc/36/07/39/186360739.db2.gz ZJNNLFPOCLUMJR-UHFFFAOYSA-N 1 0 298.818 2.191 10 0 CEAERO CN(CC1CCOCC1)[C@@H](C[NH3+])c1ccc(F)c(F)c1 ZINC000111159478 186361500 /nfs/dbraw/zinc/36/15/00/186361500.db2.gz QRKKYSNACSHXPC-HNNXBMFYSA-N 1 0 284.350 2.323 10 0 CEAERO CCOc1ccc([C@H](N)C[N@H+](C)C[C@@H]2CCCOC2)cc1 ZINC000111160274 186361673 /nfs/dbraw/zinc/36/16/73/186361673.db2.gz NIFFYUCBXSEPHS-WMLDXEAASA-N 1 0 292.423 2.444 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)N(C)CC1CCOCC1 ZINC000111165852 186363303 /nfs/dbraw/zinc/36/33/03/186363303.db2.gz LUFATZJVWZOJPR-UHFFFAOYSA-N 1 0 284.444 2.417 10 0 CEAERO CC(C)(C)S(=O)(=O)N(CCC[NH3+])C1CCCCC1 ZINC000111071258 186351057 /nfs/dbraw/zinc/35/10/57/186351057.db2.gz KADMRYAUWFBCSE-UHFFFAOYSA-N 1 0 276.446 2.098 10 0 CEAERO CC(C)C[C@H]([NH3+])C(=O)N(C)C[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000111088886 186351639 /nfs/dbraw/zinc/35/16/39/186351639.db2.gz GILXPWOHZGNQCF-DGAVXFQQSA-N 1 0 252.402 2.254 10 0 CEAERO O=C(NC[C@H]1C[C@H]2CC[C@@H]1C2)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000111086096 186352183 /nfs/dbraw/zinc/35/21/83/186352183.db2.gz MINFVZOVTZXTMP-LBRJOISOSA-N 1 0 284.403 2.253 10 0 CEAERO CCOCCN(CC)c1cnc(C(C)C)nc1C[NH2+]C ZINC000111123570 186355654 /nfs/dbraw/zinc/35/56/54/186355654.db2.gz BGOPIURMWBBCHR-UHFFFAOYSA-N 1 0 280.416 2.182 10 0 CEAERO CCOCCN(CC)C[C@H]([NH2+]C)c1ccc(OC)cc1 ZINC000111118447 186355660 /nfs/dbraw/zinc/35/56/60/186355660.db2.gz IMAWYBQOSHXWHG-INIZCTEOSA-N 1 0 280.412 2.314 10 0 CEAERO CN(CCC[NH+](C)C)Cc1ccc(Cl)cc1N ZINC000111131384 186356573 /nfs/dbraw/zinc/35/65/73/186356573.db2.gz WUFTTXJQSWXCAL-UHFFFAOYSA-N 1 0 255.793 2.306 10 0 CEAERO C[C@@H](O)c1ccc(N(C)CCC[NH+](C)C)c(F)c1 ZINC000111139405 186357716 /nfs/dbraw/zinc/35/77/16/186357716.db2.gz XRYMVDLLTINZGM-LLVKDONJSA-N 1 0 254.349 2.267 10 0 CEAERO CN(CCC[NH+](C)C)C(=O)c1cccc2c1NCCC2 ZINC000111139369 186358130 /nfs/dbraw/zinc/35/81/30/186358130.db2.gz XVKDROSRPLPOOW-UHFFFAOYSA-N 1 0 275.396 2.068 10 0 CEAERO c1ccc2c(c1)OCC[C@H]2c1nnc(CC[NH2+]C2CC2)o1 ZINC000111189626 186367956 /nfs/dbraw/zinc/36/79/56/186367956.db2.gz SNNRDMLRINHMIJ-CYBMUJFWSA-N 1 0 285.347 2.279 10 0 CEAERO CC[NH2+][C@@H](CN(C)CC1CCOCC1)C(C)(C)C ZINC000111162159 186363865 /nfs/dbraw/zinc/36/38/65/186363865.db2.gz KWJLDAYGGPFSSW-AWEZNQCLSA-N 1 0 256.434 2.369 10 0 CEAERO COc1cccc([C@H](N)C[N@H+](C)CC2CCOCC2)c1 ZINC000111161597 186364411 /nfs/dbraw/zinc/36/44/11/186364411.db2.gz JDMZXZLAZUQQFI-MRXNPFEDSA-N 1 0 278.396 2.053 10 0 CEAERO C[N@H+](CC1CCOCC1)C[C@H]1CNc2ccccc2O1 ZINC000111179306 186366257 /nfs/dbraw/zinc/36/62/57/186366257.db2.gz YNLGQHAFMHMFFR-CQSZACIVSA-N 1 0 276.380 2.218 10 0 CEAERO C[NH2+][C@H](Cc1ncc[nH]1)[C@H]1CCOc2ccccc21 ZINC000111185552 186366644 /nfs/dbraw/zinc/36/66/44/186366644.db2.gz RNLPQYZALFNIJZ-WCQYABFASA-N 1 0 257.337 2.107 10 0 CEAERO CCCN(C(=O)c1ccc2c(c1)COC2)[C@@H]1CCC[NH2+]C1 ZINC000111305457 186394150 /nfs/dbraw/zinc/39/41/50/186394150.db2.gz DUTWQAUNVOTCCY-MRXNPFEDSA-N 1 0 288.391 2.321 10 0 CEAERO CN(C)c1nnc(S[C@@H](C[NH3+])c2ccccc2)s1 ZINC000111315229 186395655 /nfs/dbraw/zinc/39/56/55/186395655.db2.gz LYJXJQQCTVJVDQ-JTQLQIEISA-N 1 0 280.422 2.396 10 0 CEAERO CN(c1cccc(F)c1)[C@@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111321116 186396866 /nfs/dbraw/zinc/39/68/66/186396866.db2.gz GUXMKCRFZUWDNK-RISCZKNCSA-N 1 0 252.333 2.016 10 0 CEAERO CN(c1cccc(F)c1)[C@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111321119 186397621 /nfs/dbraw/zinc/39/76/21/186397621.db2.gz GUXMKCRFZUWDNK-BXUZGUMPSA-N 1 0 252.333 2.016 10 0 CEAERO CCC(CC)N(C)C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111243855 186375676 /nfs/dbraw/zinc/37/56/76/186375676.db2.gz OFLFEGOPGMHMSH-NSHDSACASA-N 1 0 266.307 2.175 10 0 CEAERO C[C@@H](NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)c1cccs1 ZINC000111243756 186375953 /nfs/dbraw/zinc/37/59/53/186375953.db2.gz ZUBVGXIPKAJSEH-KCJUWKMLSA-N 1 0 292.326 2.467 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc(Cl)c1N(C)C ZINC000111264491 186381740 /nfs/dbraw/zinc/38/17/40/186381740.db2.gz ZHVIJOMSMOJNNS-ZJUUUORDSA-N 1 0 281.787 2.200 10 0 CEAERO C[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)c1cccc(OC(F)F)c1 ZINC000111264838 186381830 /nfs/dbraw/zinc/38/18/30/186381830.db2.gz FSVLZVXLLKLKGO-GBIKHYSHSA-N 1 0 298.333 2.321 10 0 CEAERO CC(C)Oc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@@H]2C)cc1 ZINC000111263802 186382042 /nfs/dbraw/zinc/38/20/42/186382042.db2.gz ZGQGLFISZBXWHG-SMDDNHRTSA-N 1 0 262.353 2.268 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cnc2ccccc2c1 ZINC000111265486 186382166 /nfs/dbraw/zinc/38/21/66/186382166.db2.gz TVSZQYBTANAEGN-GWCFXTLKSA-N 1 0 255.321 2.029 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(-c2cnco2)cc1 ZINC000111267507 186383258 /nfs/dbraw/zinc/38/32/58/186383258.db2.gz UBGQQKWPTIWUOD-GWCFXTLKSA-N 1 0 271.320 2.136 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000111267687 186383355 /nfs/dbraw/zinc/38/33/55/186383355.db2.gz RVUNHTRABHFZPE-AAEUAGOBSA-N 1 0 291.370 2.220 10 0 CEAERO COc1ccc([C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C)C2CC2)cc1 ZINC000111271597 186384094 /nfs/dbraw/zinc/38/40/94/186384094.db2.gz LSQCLMNFEPAQIP-HFBAOOFYSA-N 1 0 288.391 2.118 10 0 CEAERO C[C@H](NC(=O)[C@@H]1C[NH2+]C[C@@H]1C)c1ccc(Cl)cc1 ZINC000111271458 186384124 /nfs/dbraw/zinc/38/41/24/186384124.db2.gz QELJWUXZDINJKT-OUJBWJOFSA-N 1 0 266.772 2.373 10 0 CEAERO C[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1C)c1ccc(Cl)cc1 ZINC000111271454 186384146 /nfs/dbraw/zinc/38/41/46/186384146.db2.gz QELJWUXZDINJKT-KWBADKCTSA-N 1 0 266.772 2.373 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000111271857 186384248 /nfs/dbraw/zinc/38/42/48/186384248.db2.gz JUGKSQNZKQLONA-IUCAKERBSA-N 1 0 267.398 2.235 10 0 CEAERO COc1ccccc1CN(C(=O)[C@@H]1C[NH2+]C[C@H]1C)C1CC1 ZINC000111269306 186384441 /nfs/dbraw/zinc/38/44/41/186384441.db2.gz XNOFFSYHEWHLGP-IUODEOHRSA-N 1 0 288.391 2.042 10 0 CEAERO CCN(C(=O)[C@@H]1C[NH2+]C[C@H]1C)c1cccc(F)c1 ZINC000111272102 186385803 /nfs/dbraw/zinc/38/58/03/186385803.db2.gz NCYVRJIFBYCLIE-ZWNOBZJWSA-N 1 0 250.317 2.034 10 0 CEAERO [NH3+]Cc1ccc(C(=O)Nc2cc(F)ccc2F)nc1 ZINC000111281240 186387710 /nfs/dbraw/zinc/38/77/10/186387710.db2.gz MZCDXVSXWBPIEX-UHFFFAOYSA-N 1 0 263.247 2.071 10 0 CEAERO [NH3+]Cc1ccc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)nc1 ZINC000111281623 186388454 /nfs/dbraw/zinc/38/84/54/186388454.db2.gz YDSRLPLDSGYDLC-DZGCQCFKSA-N 1 0 273.380 2.335 10 0 CEAERO [NH3+]Cc1ccc(C(=O)N2CCCc3ccccc3C2)nc1 ZINC000111282491 186390017 /nfs/dbraw/zinc/39/00/17/186390017.db2.gz CPFFDMQFUXNNMG-UHFFFAOYSA-N 1 0 281.359 2.129 10 0 CEAERO CN(c1c(F)cc(CC[NH3+])cc1F)[C@H]1CCSC1 ZINC000111479392 186421891 /nfs/dbraw/zinc/42/18/91/186421891.db2.gz JTGGEZVAVGSYIB-JTQLQIEISA-N 1 0 272.364 2.408 10 0 CEAERO Cc1cc2ncc(C[NH2+][C@@]3(CO)CCC[C@@H](C)C3)cn2n1 ZINC000111477523 186422019 /nfs/dbraw/zinc/42/20/19/186422019.db2.gz FMONATJINUERCG-WBMJQRKESA-N 1 0 288.395 2.069 10 0 CEAERO CN(C[C@@H]1CCCOC1)c1c(F)cc(CC[NH3+])cc1F ZINC000111481524 186422804 /nfs/dbraw/zinc/42/28/04/186422804.db2.gz GUCDPQPZJGDELY-LBPRGKRZSA-N 1 0 284.350 2.329 10 0 CEAERO COCCN(c1ccc(C[C@@H](C)[NH3+])c(C)c1)C1CC1 ZINC000111505625 186425403 /nfs/dbraw/zinc/42/54/03/186425403.db2.gz KTMYLEUNQDROHP-CYBMUJFWSA-N 1 0 262.397 2.500 10 0 CEAERO c1nc(CC[NH2+]C[C@@H]2CNc3ccccc3O2)cs1 ZINC000111630278 186434474 /nfs/dbraw/zinc/43/44/74/186434474.db2.gz VUUWGGDXSQKIEE-GFCCVEGCSA-N 1 0 275.377 2.148 10 0 CEAERO COCCCSCCCC[C@](C)([NH2+]C(C)C)C(N)=O ZINC000111660349 186438712 /nfs/dbraw/zinc/43/87/12/186438712.db2.gz WYCLYUQNEHLPJW-AWEZNQCLSA-N 1 0 290.473 2.168 10 0 CEAERO CC(C)CCS(=O)(=O)Nc1cccc([C@@H](C)[NH3+])c1 ZINC000111657597 186438781 /nfs/dbraw/zinc/43/87/81/186438781.db2.gz KLOVTCGEGLNZAO-LLVKDONJSA-N 1 0 270.398 2.494 10 0 CEAERO COc1ccc([C@H]([NH3+])c2cc(C)ccn2)cc1OC ZINC000111680817 186441017 /nfs/dbraw/zinc/44/10/17/186441017.db2.gz XDDAGPNKGQVUFC-HNNXBMFYSA-N 1 0 258.321 2.455 10 0 CEAERO CCC(CC)NC(=O)CN1CCCC[C@H]1C[NH2+]CC(C)C ZINC000111704985 186447444 /nfs/dbraw/zinc/44/74/44/186447444.db2.gz KNKZSNBMIZWZEX-INIZCTEOSA-N 1 0 297.487 2.391 10 0 CEAERO CC[NH2+][C@H](C)[C@H]1CCCCN1CC(=O)NC(CC)CC ZINC000111712017 186448887 /nfs/dbraw/zinc/44/88/87/186448887.db2.gz VTPKHUVZDJKQCN-UKRRQHHQSA-N 1 0 283.460 2.144 10 0 CEAERO CC(C)(C)[NH2+]CC1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000111719092 186450111 /nfs/dbraw/zinc/45/01/11/186450111.db2.gz BXWXWDSPWRUZSK-UHFFFAOYSA-N 1 0 290.473 2.215 10 0 CEAERO C[C@@H]1CCC[C@@H](NC(=O)CCOC2CC[NH2+]CC2)[C@@H]1C ZINC000111799723 186459355 /nfs/dbraw/zinc/45/93/55/186459355.db2.gz NADZVIWBHCBUEX-UMVBOHGHSA-N 1 0 282.428 2.086 10 0 CEAERO CCC[C@H](O)C[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000131105675 366019711 /nfs/dbraw/zinc/01/97/11/366019711.db2.gz NONBZGRJKAYBTN-GWCFXTLKSA-N 1 0 253.390 2.331 10 0 CEAERO C[NH2+]Cc1ccc(OCCCO)c(C(F)(F)F)c1 ZINC000112750868 186529605 /nfs/dbraw/zinc/52/96/05/186529605.db2.gz LQRYECFJRNTZMH-UHFFFAOYSA-N 1 0 263.259 2.186 10 0 CEAERO CCN1CCO[C@H](C[NH2+]Cc2ccc(Cl)s2)C1 ZINC000113266883 186566047 /nfs/dbraw/zinc/56/60/47/186566047.db2.gz YEXBLQXHIMMWQY-SNVBAGLBSA-N 1 0 274.817 2.212 10 0 CEAERO COc1ccc(OCCN2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000113272016 186568083 /nfs/dbraw/zinc/56/80/83/186568083.db2.gz AMUUVXUZALTHGW-HUUCEWRRSA-N 1 0 290.407 2.243 10 0 CEAERO CCS(=O)(=O)c1ccccc1N1CCC[C@H](CC[NH3+])C1 ZINC000070073983 363027154 /nfs/dbraw/zinc/02/71/54/363027154.db2.gz XTXTUWUHTHUYFC-CYBMUJFWSA-N 1 0 296.436 2.045 10 0 CEAERO O=C(c1ccc2cc[nH]c2c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000070165651 363040854 /nfs/dbraw/zinc/04/08/54/363040854.db2.gz BIAIDKMLSXKKRH-CQSZACIVSA-N 1 0 269.348 2.088 10 0 CEAERO Cc1cc(N2C[C@@H](C[NH3+])[C@H](C)C2)ncc1Br ZINC000630092479 351616161 /nfs/dbraw/zinc/61/61/61/351616161.db2.gz KFPBVWLRBVWGNI-NXEZZACHSA-N 1 0 284.201 2.184 10 0 CEAERO CC[C@H](CC(=O)N1C[C@H](OC)C[C@]1(C)C[NH3+])C(C)(C)C ZINC000630376091 351716543 /nfs/dbraw/zinc/71/65/43/351716543.db2.gz SWYXFVOECJRGGI-XJKCOSOUSA-N 1 0 284.444 2.414 10 0 CEAERO CCOc1cc(CN2C[C@@H](C)[C@H]([NH+](C)C)C2)ccc1O ZINC000131468636 366057008 /nfs/dbraw/zinc/05/70/08/366057008.db2.gz FVMSARZHSHEAQB-TZMCWYRMSA-N 1 0 278.396 2.173 10 0 CEAERO Cc1ccc(-c2cc3c(N4CC[NH2+]CC4)nccn3n2)cc1 ZINC000070459150 363087287 /nfs/dbraw/zinc/08/72/87/363087287.db2.gz FYWDNVUVNVPOTI-UHFFFAOYSA-N 1 0 293.374 2.114 10 0 CEAERO Cc1ccccc1-c1cc(N2CCC[C@@H]([NH3+])C2)n[nH]1 ZINC000070460149 363087512 /nfs/dbraw/zinc/08/75/12/363087512.db2.gz SWCPMTKORDIACB-GFCCVEGCSA-N 1 0 256.353 2.313 10 0 CEAERO Cc1cccc(-c2ccc(N3CCC[C@H]([NH3+])C3)nn2)c1 ZINC000070458957 363087609 /nfs/dbraw/zinc/08/76/09/363087609.db2.gz SMQFRTGQDBSUOR-AWEZNQCLSA-N 1 0 268.364 2.380 10 0 CEAERO CO[C@@H]1CN(Cc2ccccc2Cl)[C@@](C)(C[NH3+])C1 ZINC000630357177 351711120 /nfs/dbraw/zinc/71/11/20/351711120.db2.gz XEYZEIJZPSKFES-GXTWGEPZSA-N 1 0 268.788 2.278 10 0 CEAERO CO[C@H]1CN(CCCOCc2ccccc2)[C@@](C)(C[NH3+])C1 ZINC000630364190 351713512 /nfs/dbraw/zinc/71/35/12/351713512.db2.gz DNHGSJWMQYHJQF-IAGOWNOFSA-N 1 0 292.423 2.031 10 0 CEAERO CO[C@H]1CN(C(=O)c2ccc(C)c(Cl)c2)[C@](C)(C[NH3+])C1 ZINC000630366459 351714389 /nfs/dbraw/zinc/71/43/89/351714389.db2.gz KSAXKKICEATILI-DOMZBBRYSA-N 1 0 296.798 2.227 10 0 CEAERO C[C@@H]1CC[C@H](Nc2ccc(Br)cn2)C[NH2+]1 ZINC000630535556 351775794 /nfs/dbraw/zinc/77/57/94/351775794.db2.gz WCTPTJLVIWLAPY-SCZZXKLOSA-N 1 0 270.174 2.397 10 0 CEAERO Cc1csc2c1ncnc2N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000630566640 351787488 /nfs/dbraw/zinc/78/74/88/351787488.db2.gz DTQNGGQGAUWETK-SCZZXKLOSA-N 1 0 262.382 2.031 10 0 CEAERO Cc1csc2c1ncnc2N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000630566639 351787537 /nfs/dbraw/zinc/78/75/37/351787537.db2.gz DTQNGGQGAUWETK-PSASIEDQSA-N 1 0 262.382 2.031 10 0 CEAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(C(F)(F)F)cn1 ZINC000122409747 187031084 /nfs/dbraw/zinc/03/10/84/187031084.db2.gz MHHJNTNEQCAXFF-ZACCUICWSA-N 1 0 299.296 2.113 10 0 CEAERO COc1ccc(C)cc1[C@H](C)NC(=O)C(C)(C)C[NH3+] ZINC000122946920 187061895 /nfs/dbraw/zinc/06/18/95/187061895.db2.gz UQIKUSVTZRQRSR-NSHDSACASA-N 1 0 264.369 2.166 10 0 CEAERO CCOC(C[N@@H+]1CCC[C@@H](n2ccnc2CC)C1)OCC ZINC000124207804 187126683 /nfs/dbraw/zinc/12/66/83/187126683.db2.gz LGUCSZVPHVHEAR-CQSZACIVSA-N 1 0 295.427 2.482 10 0 CEAERO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CCOCC2)s1 ZINC000123218924 187078502 /nfs/dbraw/zinc/07/85/02/187078502.db2.gz HHYKGNCJEHHQBF-WCQYABFASA-N 1 0 268.426 2.428 10 0 CEAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CCOCC2)s1 ZINC000123218460 187078742 /nfs/dbraw/zinc/07/87/42/187078742.db2.gz HHYKGNCJEHHQBF-DGCLKSJQSA-N 1 0 268.426 2.428 10 0 CEAERO CC[C@](C)(O)C[NH+]1CCN(CCc2ccccc2)CC1 ZINC000123256012 187080591 /nfs/dbraw/zinc/08/05/91/187080591.db2.gz MMGAKMCDXAPOKU-KRWDZBQOSA-N 1 0 276.424 2.008 10 0 CEAERO COc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CCOCC2)c(F)c1 ZINC000123254214 187080967 /nfs/dbraw/zinc/08/09/67/187080967.db2.gz UWTNSSCQQUFOIU-CHWSQXEVSA-N 1 0 296.386 2.206 10 0 CEAERO CC[C@@](C)(O)C[N@@H+]1CCCN(Cc2ccccc2)CC1 ZINC000123297766 187082975 /nfs/dbraw/zinc/08/29/75/187082975.db2.gz CYSUUHRPMZKSCU-QGZVFWFLSA-N 1 0 276.424 2.355 10 0 CEAERO C[C@@H](C[NH2+][C@@H](C)c1cccs1)N1CCOCC1 ZINC000123341885 187085765 /nfs/dbraw/zinc/08/57/65/187085765.db2.gz IWJORPQDWSNPGF-RYUDHWBXSA-N 1 0 254.399 2.119 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cccc2c1OCO2 ZINC000123389682 187088775 /nfs/dbraw/zinc/08/87/75/187088775.db2.gz XZTCAUUOYYBQLU-AWEZNQCLSA-N 1 0 276.380 2.331 10 0 CEAERO C[C@@H](C[NH2+][C@H]1CCCc2ccccc21)N1CCOCC1 ZINC000123485015 187095293 /nfs/dbraw/zinc/09/52/93/187095293.db2.gz LWUILIVHXSJHNE-YOEHRIQHSA-N 1 0 274.408 2.374 10 0 CEAERO CCc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CCOCC2)o1 ZINC000123569089 187098976 /nfs/dbraw/zinc/09/89/76/187098976.db2.gz MZKNGCMLTMYHDP-OLZOCXBDSA-N 1 0 266.385 2.213 10 0 CEAERO CN(CCc1cccs1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000093289821 539846724 /nfs/dbraw/zinc/84/67/24/539846724.db2.gz AOKVIODVGCLHOC-WCQYABFASA-N 1 0 266.410 2.124 10 0 CEAERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC000249109715 539863355 /nfs/dbraw/zinc/86/33/55/539863355.db2.gz MSZBBMMGRVJINQ-SOUVJXGZSA-N 1 0 290.407 2.329 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)CCOc1cccc(Cl)c1 ZINC000237814488 539871221 /nfs/dbraw/zinc/87/12/21/539871221.db2.gz JESDUJDQRQICJU-BXUZGUMPSA-N 1 0 296.798 2.353 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)C1 ZINC000252761391 539899080 /nfs/dbraw/zinc/89/90/80/539899080.db2.gz XTNRPQPWTJDHHJ-LJISPDSOSA-N 1 0 254.418 2.121 10 0 CEAERO O=C(N[C@H]1CCC12CCCC2)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335140197 295848132 /nfs/dbraw/zinc/84/81/32/295848132.db2.gz FDWMFBZCJSAIBI-GOEBONIOSA-N 1 0 291.439 2.494 10 0 CEAERO Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2[NH3+])c(F)cc1F ZINC000137335575 187896942 /nfs/dbraw/zinc/89/69/42/187896942.db2.gz FMOYUAXRQQLBCO-QWHCGFSZSA-N 1 0 268.307 2.273 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1CN1CCCc2ccccc21 ZINC000090566045 535191567 /nfs/dbraw/zinc/19/15/67/535191567.db2.gz RJDHUICTBUPIAX-HOTGVXAUSA-N 1 0 274.408 2.454 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCC[C@H]1c1cccnc1 ZINC000249910907 539963355 /nfs/dbraw/zinc/96/33/55/539963355.db2.gz OGLPPIQPEVHBOE-CFVMTHIKSA-N 1 0 273.380 2.120 10 0 CEAERO O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000127188417 295855777 /nfs/dbraw/zinc/85/57/77/295855777.db2.gz XLNBMAGRRXXYRZ-XHSDSOJGSA-N 1 0 288.391 2.023 10 0 CEAERO CCC[C@@H](C(=O)N[C@@H](C)CNc1ccccc1)[NH+](C)C ZINC000153975526 188114953 /nfs/dbraw/zinc/11/49/53/188114953.db2.gz XCBLYAFOSAIBMU-ZFWWWQNUSA-N 1 0 277.412 2.334 10 0 CEAERO COCOc1ccc(OC)cc1C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000154479612 188144863 /nfs/dbraw/zinc/14/48/63/188144863.db2.gz MVWJTJMCKRPOAI-SWLSCSKDSA-N 1 0 295.379 2.335 10 0 CEAERO CCC[C@@H](C(=O)N1CCO[C@H](c2ccsc2)C1)[NH+](C)C ZINC000154273046 188132318 /nfs/dbraw/zinc/13/23/18/188132318.db2.gz MPRNKEKBWQOCJT-KBPBESRZSA-N 1 0 296.436 2.378 10 0 CEAERO CC[C@@H]1CN(c2ncnc3ccccc32)CC[C@H]1[NH3+] ZINC000251618811 539981415 /nfs/dbraw/zinc/98/14/15/539981415.db2.gz DYFPYXHXYVKGKX-DGCLKSJQSA-N 1 0 256.353 2.193 10 0 CEAERO CC[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(F)cc1 ZINC000154938841 188172072 /nfs/dbraw/zinc/17/20/72/188172072.db2.gz YEEXEPKJSJMXSZ-KGLIPLIRSA-N 1 0 274.343 2.473 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)COc2ccccc2F)C1 ZINC000155332355 188199328 /nfs/dbraw/zinc/19/93/28/188199328.db2.gz VDSINUNPXWGLRR-OCCSQVGLSA-N 1 0 294.370 2.049 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(F)cc2F)C1 ZINC000155754939 188225943 /nfs/dbraw/zinc/22/59/43/188225943.db2.gz ZDMREDANNLSBGZ-YGRLFVJLSA-N 1 0 282.334 2.423 10 0 CEAERO CCc1ccc([C@@H]2CCCCN2C(=O)[C@@H](C)[NH3+])o1 ZINC000157356183 188311703 /nfs/dbraw/zinc/31/17/03/188311703.db2.gz CFQDOOOYXDLKHL-PWSUYJOCSA-N 1 0 250.342 2.243 10 0 CEAERO CC(C)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000159080610 188407411 /nfs/dbraw/zinc/40/74/11/188407411.db2.gz UGVIWYMHNTWKKF-NEPJUHHUSA-N 1 0 259.357 2.357 10 0 CEAERO C[C@@H]([NH3+])[C@H]1CN(c2ccnc3cc(Cl)ccc32)CCO1 ZINC000156563132 540008869 /nfs/dbraw/zinc/00/88/69/540008869.db2.gz DBJJWRDKWQYAKZ-MEBBXXQBSA-N 1 0 291.782 2.441 10 0 CEAERO Cn1cc([C@@H]2CCC[N@@H+]2Cc2cccc(O)c2)cn1 ZINC000131936996 366101482 /nfs/dbraw/zinc/10/14/82/366101482.db2.gz LXVBTLSPIKAIPW-HNNXBMFYSA-N 1 0 257.337 2.463 10 0 CEAERO CC(=O)Nc1cc(NC[C@@H]2CCC[NH2+]C2)ccc1F ZINC000132185037 366124163 /nfs/dbraw/zinc/12/41/63/366124163.db2.gz RBTGXZJVJGVHOZ-LLVKDONJSA-N 1 0 265.332 2.196 10 0 CEAERO O[C@@H]1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccon1 ZINC000337307832 366137546 /nfs/dbraw/zinc/13/75/46/366137546.db2.gz UTVLBJQUUFHMGI-HZSPNIEDSA-N 1 0 250.342 2.190 10 0 CEAERO CC[N@@H+]1C[C@H](C)N(C(=O)C[C@@H]2CCCCC(=O)N2)C[C@@H]1C ZINC000328675697 202006402 /nfs/dbraw/zinc/00/64/02/202006402.db2.gz QYZOSZNHAOGKRE-IHRRRGAJSA-N 1 0 295.427 2.217 10 0 CEAERO CC(C)[C@H]1CN(C(=O)C[C@H]2CCCCC(=O)N2)CC[N@@H+]1C ZINC000328694219 202016117 /nfs/dbraw/zinc/01/61/17/202016117.db2.gz CVASMVNAZGEAHQ-ZIAGYGMSSA-N 1 0 295.427 2.074 10 0 CEAERO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(Nc2ccccn2)CC1 ZINC000132847056 366174092 /nfs/dbraw/zinc/17/40/92/366174092.db2.gz GLSMQXABTJVXEH-LSDHHAIUSA-N 1 0 275.396 2.261 10 0 CEAERO COC(=O)N1CCC([NH2+]CC2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000495335268 291032746 /nfs/dbraw/zinc/03/27/46/291032746.db2.gz FIPNFKPLCORZSW-RYUDHWBXSA-N 1 0 284.400 2.010 10 0 CEAERO COc1ccc([C@H](C)NC(=O)[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000157159203 540037634 /nfs/dbraw/zinc/03/76/34/540037634.db2.gz CPVXYUZZECCMKS-WHOFXGATSA-N 1 0 276.380 2.247 10 0 CEAERO [NH3+][C@H]1C[C@H](C(F)(F)F)S(=O)(=O)c2cc(Cl)ccc21 ZINC000675060138 540079998 /nfs/dbraw/zinc/07/99/98/540079998.db2.gz SIVLJHBXXYVLTJ-IONNQARKSA-N 1 0 299.701 2.448 10 0 CEAERO [NH3+]Cc1cc2cc(Br)cc(F)c2[nH]c1=O ZINC000675069235 540109009 /nfs/dbraw/zinc/10/90/09/540109009.db2.gz DEDKRSAXFWOEMU-UHFFFAOYSA-N 1 0 271.089 2.301 10 0 CEAERO C[C@H]1OCC[C@@]1([NH3+])c1cscc1Br ZINC000575560943 366295956 /nfs/dbraw/zinc/29/59/56/366295956.db2.gz LYZKWNIZYMSDFR-MUWHJKNJSA-N 1 0 262.172 2.473 10 0 CEAERO O=C(C[C@@H]1CCCN1[C@@H]1CCOC1=O)c1ccc(F)cc1 ZINC000134848608 366364528 /nfs/dbraw/zinc/36/45/28/366364528.db2.gz HNSXWVISBDQMKM-UONOGXRCSA-N 1 0 291.322 2.178 10 0 CEAERO CCCN1CCC(=O)C12CC[NH+](CC(C)C)CC2 ZINC000712082504 538736787 /nfs/dbraw/zinc/73/67/87/538736787.db2.gz SYXFKYYOXFZDSJ-UHFFFAOYSA-N 1 0 252.402 2.162 10 0 CEAERO CCCN(CC[NH+](CC)CC)C(=O)[C@H]1CCCO[C@@H]1C ZINC000190269727 283234857 /nfs/dbraw/zinc/23/48/57/283234857.db2.gz WLSHSWHXTGPFJV-CABCVRRESA-N 1 0 284.444 2.382 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)NCCCC1CCCC1 ZINC000225329819 538787925 /nfs/dbraw/zinc/78/79/25/538787925.db2.gz QMKVRJFNIRSCQS-AWEZNQCLSA-N 1 0 252.402 2.463 10 0 CEAERO CC(C)(C)c1nn2c(nccc2C[NH3+])c1Br ZINC000232516898 542255047 /nfs/dbraw/zinc/25/50/47/542255047.db2.gz OFBWPIXCQANOMU-UHFFFAOYSA-N 1 0 283.173 2.248 10 0 CEAERO C[C@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)c2nccn21 ZINC000333779378 291147504 /nfs/dbraw/zinc/14/75/04/291147504.db2.gz BMMXJQVPIBYNNK-KZVDOYCCSA-N 1 0 290.411 2.172 10 0 CEAERO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCc3ccccc3CC2)C1 ZINC000079572059 363616405 /nfs/dbraw/zinc/61/64/05/363616405.db2.gz KYIXPYFGDFKPGG-JKSUJKDBSA-N 1 0 272.392 2.131 10 0 CEAERO [NH3+][C@H]1CCC[C@@H](C(=O)N2CCc3ccccc3CC2)C1 ZINC000079572052 363616518 /nfs/dbraw/zinc/61/65/18/363616518.db2.gz KYIXPYFGDFKPGG-CVEARBPZSA-N 1 0 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WAGSKPWNZBWQLY-VIFPVBQESA-N 1 0 256.371 2.445 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccc(-n2ccnc2)nc1 ZINC000177364704 189046395 /nfs/dbraw/zinc/04/63/95/189046395.db2.gz RMFKVUKTJXFSEC-INIZCTEOSA-N 1 0 299.422 2.183 10 0 CEAERO C[C@@H](O)C[N@@H+]1CCN(Cc2cc3ccccc3o2)C[C@H]1C ZINC000178529620 189124420 /nfs/dbraw/zinc/12/44/20/189124420.db2.gz WEIUYTFACXSDAG-ZIAGYGMSSA-N 1 0 288.391 2.320 10 0 CEAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)Cc1ccccc1 ZINC000178751887 189143275 /nfs/dbraw/zinc/14/32/75/189143275.db2.gz DGKQEQCEWKPNPB-ZWKOTPCHSA-N 1 0 299.418 2.260 10 0 CEAERO CC[C@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccc(OC)cc1 ZINC000180335046 189250672 /nfs/dbraw/zinc/25/06/72/189250672.db2.gz RKVDAHUFMVMBBE-ZBFHGGJFSA-N 1 0 290.407 2.351 10 0 CEAERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc2c(c1)CCC2 ZINC000180582495 189263801 /nfs/dbraw/zinc/26/38/01/189263801.db2.gz WYVMSELXHBIVOB-WBMJQRKESA-N 1 0 282.391 2.432 10 0 CEAERO Cc1cccc(C[C@@H]([NH2+]C[C@@H]2CN(C)CCO2)C2CC2)c1 ZINC000180500958 189259515 /nfs/dbraw/zinc/25/95/15/189259515.db2.gz YGKILQYTIPKJBR-QZTJIDSGSA-N 1 0 288.435 2.236 10 0 CEAERO C[NH2+]C1CCN(C(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000237130810 370693106 /nfs/dbraw/zinc/69/31/06/370693106.db2.gz XZBKYMIYTXCPLP-STQMWFEESA-N 1 0 294.345 2.279 10 0 CEAERO O[C@@H](c1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC000011630786 361361236 /nfs/dbraw/zinc/36/12/36/361361236.db2.gz YSNFKZYOYZHMOG-LBPRGKRZSA-N 1 0 270.170 2.482 10 0 CEAERO Cn1ccnc1[C@H]([NH3+])COc1ccc(Br)cc1 ZINC000011848586 361366291 /nfs/dbraw/zinc/36/62/91/361366291.db2.gz MGCSPEIHSLALIP-LLVKDONJSA-N 1 0 296.168 2.261 10 0 CEAERO [NH3+]CCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000011849307 361366533 /nfs/dbraw/zinc/36/65/33/361366533.db2.gz KIJGNJMYLQFJJW-UHFFFAOYSA-N 1 0 294.351 2.128 10 0 CEAERO Cn1ccnc1[C@@H]([NH3+])c1cccc(Br)c1 ZINC000011848575 361366540 /nfs/dbraw/zinc/36/65/40/361366540.db2.gz DGXGJTLDGFJPPX-JTQLQIEISA-N 1 0 266.142 2.231 10 0 CEAERO Cc1cccc(CN2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)n1 ZINC000083882224 363789763 /nfs/dbraw/zinc/78/97/63/363789763.db2.gz NAMMOCIQNAIJEN-HOCLYGCPSA-N 1 0 259.397 2.449 10 0 CEAERO C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1F)C2=O ZINC000012756191 361397238 /nfs/dbraw/zinc/39/72/38/361397238.db2.gz HUBZXFDYNIOWHU-MRXNPFEDSA-N 1 0 276.355 2.270 10 0 CEAERO Cc1cc(N[C@@H](C)[C@H]2CN(C)CCO2)nc(C(C)C)n1 ZINC000154781547 366789876 /nfs/dbraw/zinc/78/98/76/366789876.db2.gz YRLVQAJCRQFJIU-QWHCGFSZSA-N 1 0 278.400 2.039 10 0 CEAERO C[C@@H]1CC[C@H](C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)O1 ZINC000155793294 366823289 /nfs/dbraw/zinc/82/32/89/366823289.db2.gz VDYSAJODZVQONM-QLFBSQMISA-N 1 0 280.412 2.031 10 0 CEAERO COC(=O)[C@H]1C[NH2+]CC[C@@H]1c1ccc(Cl)cc1 ZINC000013475000 361429200 /nfs/dbraw/zinc/42/92/00/361429200.db2.gz DXRLHHQCJXYHPB-NEPJUHHUSA-N 1 0 253.729 2.206 10 0 CEAERO CC1CCC(NC(=O)[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000019518148 361541805 /nfs/dbraw/zinc/54/18/05/361541805.db2.gz CMGNQCNWFXPKLB-PESDSKBTSA-N 1 0 260.381 2.251 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccncc1F ZINC000184195725 189379191 /nfs/dbraw/zinc/37/91/91/189379191.db2.gz WMFLNTZTEOVJIS-GFCCVEGCSA-N 1 0 294.374 2.463 10 0 CEAERO CC(C)[C@H](C)[NH2+][C@H](C)C(=O)NC(=O)Nc1ccccc1F ZINC000025253912 361622457 /nfs/dbraw/zinc/62/24/57/361622457.db2.gz NUCYKDCRGJEGCM-WDEREUQCSA-N 1 0 295.358 2.496 10 0 CEAERO CC(C)(C)[NH2+]C[C@H](O)COc1ccc(-c2ncc[nH]2)cc1 ZINC000028101243 361666682 /nfs/dbraw/zinc/66/66/82/361666682.db2.gz HBYIEJQLZYCNSI-ZDUSSCGKSA-N 1 0 289.379 2.205 10 0 CEAERO NC(=[NH2+])Nc1ccc(C(=O)Oc2ccccc2)cc1 ZINC000027560983 361655056 /nfs/dbraw/zinc/65/50/56/361655056.db2.gz PXPIXLVXGYQMFM-UHFFFAOYSA-N 1 0 255.277 2.211 10 0 CEAERO CCOc1ccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000027932526 361662405 /nfs/dbraw/zinc/66/24/05/361662405.db2.gz VIYWIIWKNGUECB-CQSZACIVSA-N 1 0 274.364 2.006 10 0 CEAERO OC1CC(C[NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000084446101 363811386 /nfs/dbraw/zinc/81/13/86/363811386.db2.gz MCTDRUIVOUNMBD-UHFFFAOYSA-N 1 0 288.160 2.449 10 0 CEAERO NC(=O)c1c[nH+]ccc1NCC1(c2ccccc2F)CC1 ZINC000302204703 201394999 /nfs/dbraw/zinc/39/49/99/201394999.db2.gz CQQUBRZSYRHDBU-UHFFFAOYSA-N 1 0 285.322 2.463 10 0 CEAERO Cc1cc(Br)cnc1NC[C@H]([NH3+])C1CC1 ZINC000086709869 363838913 /nfs/dbraw/zinc/83/89/13/363838913.db2.gz MZRHLJINWSKODV-JTQLQIEISA-N 1 0 270.174 2.302 10 0 CEAERO OCCC[C@H]1CCC[N@@H+]1CCc1ccc2c(c1)CCO2 ZINC000088106062 363877292 /nfs/dbraw/zinc/87/72/92/363877292.db2.gz SRCGGPMLTIRSQN-MRXNPFEDSA-N 1 0 275.392 2.401 10 0 CEAERO C[C@@H]1CN(C(=O)c2ccc3cc[nH]c3c2)C[C@@H]1[NH+](C)C ZINC000089710214 363994641 /nfs/dbraw/zinc/99/46/41/363994641.db2.gz FKBFMFBDOOCXJE-ABAIWWIYSA-N 1 0 271.364 2.190 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccncc1Cl ZINC000092632250 364090217 /nfs/dbraw/zinc/09/02/17/364090217.db2.gz KFSFJJXNDNXCSH-LLVKDONJSA-N 1 0 281.787 2.291 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCc1ccncc1 ZINC000092696076 364098769 /nfs/dbraw/zinc/09/87/69/364098769.db2.gz MQYPQQJCWYYDMG-HZPDHXFCSA-N 1 0 259.397 2.183 10 0 CEAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCCc2ccccc21 ZINC000092951382 364122332 /nfs/dbraw/zinc/12/23/32/364122332.db2.gz DITSPDZOOMLYJU-CORIIIEPSA-N 1 0 258.365 2.178 10 0 CEAERO O=C(C1CC1)N1CCc2ccccc2C12CC[NH2+]CC2 ZINC000096062782 283751138 /nfs/dbraw/zinc/75/11/38/283751138.db2.gz GSWMIWWLXJYSQP-UHFFFAOYSA-N 1 0 270.376 2.060 10 0 CEAERO O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000094371815 364272033 /nfs/dbraw/zinc/27/20/33/364272033.db2.gz YDTLXLHBKIUTQP-MGPQQGTHSA-N 1 0 285.453 2.324 10 0 CEAERO C[NH2+][C@@H]1CCCN(Cc2ccnc(Br)c2)C1 ZINC000095071503 364332344 /nfs/dbraw/zinc/33/23/44/364332344.db2.gz CVODFKWKJZKAIR-LLVKDONJSA-N 1 0 284.201 2.028 10 0 CEAERO CSc1nccnc1COCCC[C@@H]1CCC[NH2+]C1 ZINC000095071962 364332347 /nfs/dbraw/zinc/33/23/47/364332347.db2.gz OLRHNINGVJLLND-LBPRGKRZSA-N 1 0 281.425 2.495 10 0 CEAERO CCc1ccc(O)c(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000094575081 364279920 /nfs/dbraw/zinc/27/99/20/364279920.db2.gz ZWXHGWFACLTRFL-NEPJUHHUSA-N 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297.402 2.397 10 0 CEAERO COC[C@@H]([NH3+])C(=O)N[C@H](CC(C)(C)C)c1ccccc1 ZINC000159138517 366880347 /nfs/dbraw/zinc/88/03/47/366880347.db2.gz SHZQWJNJCAITLJ-ZIAGYGMSSA-N 1 0 278.396 2.254 10 0 CEAERO CC(C)[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000120089044 365371028 /nfs/dbraw/zinc/37/10/28/365371028.db2.gz PCIXBZLLCVJUOF-AGIUHOORSA-N 1 0 255.406 2.013 10 0 CEAERO Cc1cc(C)n(C[C@H]2C[N@@H+](C3CCCC3)CCO2)n1 ZINC000120140483 365378923 /nfs/dbraw/zinc/37/89/23/365378923.db2.gz KANBSXRRWWTVPI-OAHLLOKOSA-N 1 0 263.385 2.143 10 0 CEAERO CC[C@@H](C)C[NH+]1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000120499212 365432846 /nfs/dbraw/zinc/43/28/46/365432846.db2.gz CFOMRZRUPUEBFN-NEPJUHHUSA-N 1 0 266.389 2.103 10 0 CEAERO O=C(C(C1CC1)C1CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000120854050 365485007 /nfs/dbraw/zinc/48/50/07/365485007.db2.gz JHNDTYBAUCZECI-CQSZACIVSA-N 1 0 262.397 2.119 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc2[nH]ccc21 ZINC000245422334 370817482 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C[C@@H]1CN(C(=O)c2ccc(Cl)s2)C[C@@H]1C[NH3+] ZINC000638886771 370820264 /nfs/dbraw/zinc/82/02/64/370820264.db2.gz SOMDGXPEYGMKPQ-SFYZADRCSA-N 1 0 258.774 2.068 10 0 CEAERO C[C@H]1CN(C(=O)c2ccc(F)cc2Cl)C[C@@H]1C[NH3+] ZINC000638888368 370822316 /nfs/dbraw/zinc/82/23/16/370822316.db2.gz XTXBKYQIISCYNV-IUCAKERBSA-N 1 0 270.735 2.146 10 0 CEAERO Cc1cc(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)sc1C ZINC000638889492 370823022 /nfs/dbraw/zinc/82/30/22/370823022.db2.gz VLJUSPFBPMYCPO-KOLCDFICSA-N 1 0 252.383 2.032 10 0 CEAERO Cc1cc(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)ccc1Cl ZINC000638890437 370823720 /nfs/dbraw/zinc/82/37/20/370823720.db2.gz RRGSAIKPFZJYKA-CMPLNLGQSA-N 1 0 266.772 2.315 10 0 CEAERO CCC[C@H](C(=O)N[C@H](C)CCSCC)[NH+](C)C ZINC000162358663 367154367 /nfs/dbraw/zinc/15/43/67/367154367.db2.gz QQGVYJQSFPKGMM-VXGBXAGGSA-N 1 0 260.447 2.365 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)NC(C)(C)CC ZINC000245458751 370824138 /nfs/dbraw/zinc/82/41/38/370824138.db2.gz 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ZINC000342600997 367444751 /nfs/dbraw/zinc/44/47/51/367444751.db2.gz UCNNSBFJPNGKJO-LLVKDONJSA-N 1 0 275.400 2.413 10 0 CEAERO Cc1cc(F)ccc1C[N@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000245713034 370862306 /nfs/dbraw/zinc/86/23/06/370862306.db2.gz GIBUDWHDYJLRCR-PBHICJAKSA-N 1 0 292.398 2.287 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1cc(C(N)=O)ccc1F ZINC000335536848 212233356 /nfs/dbraw/zinc/23/33/56/212233356.db2.gz VAEBERCYDLTIKU-SCZZXKLOSA-N 1 0 279.315 2.036 10 0 CEAERO C[C@H]1C[N@H+](Cc2cccc3c2OCCO3)CCS1 ZINC000171687156 367592883 /nfs/dbraw/zinc/59/28/83/367592883.db2.gz KVJPKDYSDYCFFV-NSHDSACASA-N 1 0 265.378 2.395 10 0 CEAERO COc1cccc(C[NH+]2CCC(c3ccnn3C)CC2)n1 ZINC000171826986 367624605 /nfs/dbraw/zinc/62/46/05/367624605.db2.gz OKSQNTGVRULCCS-UHFFFAOYSA-N 1 0 286.379 2.203 10 0 CEAERO CN(c1cccnn1)C1CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000171745991 367608880 /nfs/dbraw/zinc/60/88/80/367608880.db2.gz OBGFYDBNZJQLFV-OAHLLOKOSA-N 1 0 272.396 2.486 10 0 CEAERO O=C(c1coc2ccccc12)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172020188 367661605 /nfs/dbraw/zinc/66/16/05/367661605.db2.gz HHPHEQMEEBZBOT-GFCCVEGCSA-N 1 0 270.332 2.353 10 0 CEAERO c1ccc(NC[C@H]2CC[N@@H+](CCc3cccnc3)C2)nc1 ZINC000172158958 367686611 /nfs/dbraw/zinc/68/66/11/367686611.db2.gz SSUCVJNPCLIESY-MRXNPFEDSA-N 1 0 282.391 2.453 10 0 CEAERO c1cnn(CC2CC[NH+](CCc3cccnc3)CC2)c1 ZINC000172163038 367687849 /nfs/dbraw/zinc/68/78/49/367687849.db2.gz DPWYGRRFQZZOLG-UHFFFAOYSA-N 1 0 270.380 2.233 10 0 CEAERO COCCN1CCN(C(=O)Nc2ccc(C)cc2)C[C@H]1C ZINC000172273156 367707170 /nfs/dbraw/zinc/70/71/70/367707170.db2.gz JTMGWVMRTJDLCP-CQSZACIVSA-N 1 0 291.395 2.179 10 0 CEAERO Cc1cc(C[N@@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)ccc1F ZINC000245756088 370869756 /nfs/dbraw/zinc/86/97/56/370869756.db2.gz OQVHPADMKMPIRJ-YOEHRIQHSA-N 1 0 292.398 2.287 10 0 CEAERO COc1ccc([C@H](C)[NH2+][C@H]2CN(C)C[C@@H]2C)cc1OC ZINC000358014245 370870032 /nfs/dbraw/zinc/87/00/32/370870032.db2.gz KHKFPUTXVBJTRG-OBJOEFQTSA-N 1 0 278.396 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CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(C)ccn1 ZINC000248464728 371199325 /nfs/dbraw/zinc/19/93/25/371199325.db2.gz YUDFQBWGYDZEEA-KBPBESRZSA-N 1 0 288.395 2.481 10 0 CEAERO CCc1ccccc1C(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000234139202 189821138 /nfs/dbraw/zinc/82/11/38/189821138.db2.gz XSEDCKZOOQZHKD-TZMCWYRMSA-N 1 0 260.381 2.448 10 0 CEAERO C[C@H](C(=O)Nc1ccccc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248369836 371182261 /nfs/dbraw/zinc/18/22/61/371182261.db2.gz WTCHLTFHDDADNI-ZBFHGGJFSA-N 1 0 287.407 2.184 10 0 CEAERO CCc1nnc(C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)n1C ZINC000248589938 371218532 /nfs/dbraw/zinc/21/85/32/371218532.db2.gz ZASVVUNYSBWSEG-IJLUTSLNSA-N 1 0 250.390 2.292 10 0 CEAERO Cc1cccc(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)c1Cl ZINC000235363779 189827376 /nfs/dbraw/zinc/82/73/76/189827376.db2.gz KOZQMFUVTCBVEI-KOLCDFICSA-N 1 0 252.745 2.068 10 0 CEAERO Cc1cc(-n2ccnc2)ccc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000248884566 371263046 /nfs/dbraw/zinc/26/30/46/371263046.db2.gz 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C[NH2+]C[C@H]1CCCN1c1ccnc(C(F)(F)F)c1 ZINC000261557949 371644952 /nfs/dbraw/zinc/64/49/52/371644952.db2.gz CXDISNFFWVTTBN-SNVBAGLBSA-N 1 0 259.275 2.289 10 0 CEAERO C[C@H]1CN(Cc2cccc(OC(F)(F)F)c2)C[C@H]1[NH3+] ZINC000261565304 371649642 /nfs/dbraw/zinc/64/96/42/371649642.db2.gz FEMKJHFLAAWXOW-JOYOIKCWSA-N 1 0 274.286 2.364 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(F)c(F)c3)C[C@@H]12 ZINC000261584435 371662423 /nfs/dbraw/zinc/66/24/23/371662423.db2.gz SFORLBIIKMLYOC-JTNHKYCSSA-N 1 0 252.308 2.134 10 0 CEAERO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(N)c2)C1 ZINC000261722162 371710931 /nfs/dbraw/zinc/71/09/31/371710931.db2.gz REJYISNUDNCVLZ-OAHLLOKOSA-N 1 0 275.396 2.150 10 0 CEAERO Fc1ccccc1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000261845312 371750327 /nfs/dbraw/zinc/75/03/27/371750327.db2.gz ASSHNRUKXVVHHJ-USXIJHARSA-N 1 0 292.398 2.115 10 0 CEAERO Fc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)c1 ZINC000261848450 371750428 /nfs/dbraw/zinc/75/04/28/371750428.db2.gz AYZQXTKDRIRKKA-XHSDSOJGSA-N 1 0 278.371 2.072 10 0 CEAERO Fc1ccc(N[C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261873129 371756725 /nfs/dbraw/zinc/75/67/25/371756725.db2.gz DIBQVSNTSDHQTL-RBSFLKMASA-N 1 0 264.344 2.395 10 0 CEAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1ccncc1Cl ZINC000261909308 371768946 /nfs/dbraw/zinc/76/89/46/371768946.db2.gz STXSEUPDBGJOQB-QLHKPRNWSA-N 1 0 293.798 2.371 10 0 CEAERO CC(C)Cn1cc(N[C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cn1 ZINC000261952287 371782301 /nfs/dbraw/zinc/78/23/01/371782301.db2.gz ONKNBQRYRAUISI-XHSDSOJGSA-N 1 0 292.427 2.108 10 0 CEAERO Fc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)cc1 ZINC000262017576 371801698 /nfs/dbraw/zinc/80/16/98/371801698.db2.gz WFCDFFZAPUCFKW-ZACQAIPSSA-N 1 0 292.398 2.115 10 0 CEAERO Fc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)cc1 ZINC000262017569 371801735 /nfs/dbraw/zinc/80/17/35/371801735.db2.gz WFCDFFZAPUCFKW-BRWVUGGUSA-N 1 0 292.398 2.115 10 0 CEAERO COc1cc(CN2C[C@@H](C)[C@@H]([NH3+])C2)cc(Cl)c1OC ZINC000262103374 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C[C@@H](NC(=O)[C@H]1CC[NH2+]C1)c1ccc(F)cc1Cl ZINC000237438677 189876516 /nfs/dbraw/zinc/87/65/16/189876516.db2.gz WJODJWSVZFJZEJ-BDAKNGLRSA-N 1 0 270.735 2.266 10 0 CEAERO Cc1cccc(CSCC(=O)N2CCC[C@H]2C[NH3+])c1 ZINC000237642269 189885626 /nfs/dbraw/zinc/88/56/26/189885626.db2.gz OIMWMPOVBTXMCJ-AWEZNQCLSA-N 1 0 278.421 2.178 10 0 CEAERO C[C@@H]1C[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)CC(C)(C)C1 ZINC000642342442 372831064 /nfs/dbraw/zinc/83/10/64/372831064.db2.gz NDUWBIGBBPTBBQ-CHWSQXEVSA-N 1 0 290.473 2.072 10 0 CEAERO C[NH+](C)[C@H]1CC[C@@H](NC(=O)Nc2cccc3c2OCO3)C1 ZINC000333506618 205386107 /nfs/dbraw/zinc/38/61/07/205386107.db2.gz WYTOJRSWFKTQPX-MNOVXSKESA-N 1 0 291.351 2.020 10 0 CEAERO CC(C)(C)c1ccc(NC(=O)[C@H]2C[NH2+]CCOC2)cc1 ZINC000643615229 373222515 /nfs/dbraw/zinc/22/25/15/373222515.db2.gz YAEAOSWEYFSGJK-LBPRGKRZSA-N 1 0 276.380 2.159 10 0 CEAERO COCCC1(C(=O)N(C)Cc2ccsc2)CC[NH2+]CC1 ZINC000643622228 373225517 /nfs/dbraw/zinc/22/55/17/373225517.db2.gz FWMDCNHJFKESSF-UHFFFAOYSA-N 1 0 296.436 2.113 10 0 CEAERO COC[C@]1(C(=O)N2CCC(C(C)(C)C)CC2)CCC[NH2+]1 ZINC000643669716 373233418 /nfs/dbraw/zinc/23/34/18/373233418.db2.gz TZQYHEVENIQAFB-INIZCTEOSA-N 1 0 282.428 2.040 10 0 CEAERO CN(Cc1ccc(F)cc1F)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054307804 541887361 /nfs/dbraw/zinc/88/73/61/541887361.db2.gz SIPFMJJUVLJLLA-LLVKDONJSA-N 1 0 282.334 2.313 10 0 CEAERO Clc1ccc(-c2noc([C@H]3C[NH2+]CCOC3)n2)cc1 ZINC000644511171 373503622 /nfs/dbraw/zinc/50/36/22/373503622.db2.gz CXJBBFFPOANCQE-JTQLQIEISA-N 1 0 279.727 2.093 10 0 CEAERO O[C@H](C[NH2+]Cc1ccc(Cl)o1)COCc1ccco1 ZINC000644519842 373507058 /nfs/dbraw/zinc/50/70/58/373507058.db2.gz XXIOPDZDPYMASQ-SNVBAGLBSA-N 1 0 285.727 2.193 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000246194527 189925577 /nfs/dbraw/zinc/92/55/77/189925577.db2.gz DMTGPFDCTHZMNK-FWHFQCOYSA-N 1 0 294.345 2.312 10 0 CEAERO C[C@H](c1cnccn1)[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000184628826 220214779 /nfs/dbraw/zinc/21/47/79/220214779.db2.gz NAJIVTKTCMWPPK-OCCSQVGLSA-N 1 0 270.336 2.086 10 0 CEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cc(Cl)cs1 ZINC000282528984 220235181 /nfs/dbraw/zinc/23/51/81/220235181.db2.gz YXCHWMGAOGIUNY-XVKPBYJWSA-N 1 0 258.774 2.158 10 0 CEAERO O=C(Nc1nc2c(cccc2Cl)[nH]1)[C@H]1CCC[NH2+]C1 ZINC000262240212 284417129 /nfs/dbraw/zinc/41/71/29/284417129.db2.gz OOJAEAPSYPHZTO-QMMMGPOBSA-N 1 0 278.743 2.154 10 0 CEAERO Cc1noc([C@H]2C[C@@H](O)C[N@H+]2C[C@@H]2CCCC[C@H]2C)n1 ZINC000377295024 374833258 /nfs/dbraw/zinc/83/32/58/374833258.db2.gz XWDILJATKSJUIE-YXCITZCRSA-N 1 0 279.384 2.312 10 0 CEAERO CS[C@H](C(=O)N[C@@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000252671328 189981918 /nfs/dbraw/zinc/98/19/18/189981918.db2.gz ONYHNLIXMPAQQE-MJBXVCDLSA-N 1 0 278.421 2.334 10 0 CEAERO Cc1nc2ccccc2nc1N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000382453244 375186459 /nfs/dbraw/zinc/18/64/59/375186459.db2.gz HEFUIISJWBFTIZ-VXGBXAGGSA-N 1 0 256.353 2.478 10 0 CEAERO c1cc2c(ncnc2N2CC[C@H]3C[NH2+]C[C@H]3CC2)s1 ZINC000389131695 375298288 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CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)c1ccc(OC)cc1 ZINC000282288882 375448659 /nfs/dbraw/zinc/44/86/59/375448659.db2.gz LOVNRQOGEVVASS-BYCMXARLSA-N 1 0 276.380 2.403 10 0 CEAERO [NH3+][C@@H]1CC[C@]12CCN(C(=O)OCc1ccccc1)C2 ZINC000261507883 190040009 /nfs/dbraw/zinc/04/00/09/190040009.db2.gz NEWAZHFUZRLGON-UKRRQHHQSA-N 1 0 260.337 2.136 10 0 CEAERO O[C@@]12CCCC[C@@H]1C[N@H+](CCOCC1CCC1)CC2 ZINC000419234470 376407411 /nfs/dbraw/zinc/40/74/11/376407411.db2.gz MBGLWPVISKZJIF-HZPDHXFCSA-N 1 0 267.413 2.430 10 0 CEAERO CC[NH+](CC)CC(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000105850131 284571074 /nfs/dbraw/zinc/57/10/74/284571074.db2.gz RQRSTHZOKJGVHC-CQSZACIVSA-N 1 0 292.427 2.042 10 0 CEAERO COC(=O)c1cccnc1C[N@@H+]1C[C@H](C)CC[C@@H]1C ZINC000306004423 376534970 /nfs/dbraw/zinc/53/49/70/376534970.db2.gz VTXUMAMKWRWMTJ-NEPJUHHUSA-N 1 0 262.353 2.489 10 0 CEAERO [NH3+][C@@H]1CCO[C@H]1c1ccc(I)cc1 ZINC000307431260 376565630 /nfs/dbraw/zinc/56/56/30/376565630.db2.gz WQUXZGIOJJIDHX-ZJUUUORDSA-N 1 0 289.116 2.080 10 0 CEAERO C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1ccnc(N(C)C)n1 ZINC000309653332 376599789 /nfs/dbraw/zinc/59/97/89/376599789.db2.gz ASOMPRHKTOGXCO-AWEZNQCLSA-N 1 0 299.422 2.475 10 0 CEAERO C[C@H]1CC[C@H](O)CN1Cc1ccc(Br)o1 ZINC000307662239 376569441 /nfs/dbraw/zinc/56/94/41/376569441.db2.gz HFVYGBFJDCIYKY-IUCAKERBSA-N 1 0 274.158 2.387 10 0 CEAERO O[C@@H]1CCCC[C@H]1[C@H]1CCC[N@@H+]1Cc1cnns1 ZINC000310763758 376635498 /nfs/dbraw/zinc/63/54/98/376635498.db2.gz NERWGUVINLUSCA-YNEHKIRRSA-N 1 0 267.398 2.054 10 0 CEAERO C[C@@H](C[NH2+]C[C@H]1CN(C)CCO1)C1CCCCC1 ZINC000310922218 376645272 /nfs/dbraw/zinc/64/52/72/376645272.db2.gz APCXTQGIDKQXEB-ZFWWWQNUSA-N 1 0 254.418 2.123 10 0 CEAERO COc1ccnc(N[C@@H](CCC[NH3+])c2ccccc2)n1 ZINC000312510096 376717447 /nfs/dbraw/zinc/71/74/47/376717447.db2.gz JFXXJFOILRUXDJ-ZDUSSCGKSA-N 1 0 272.352 2.377 10 0 CEAERO CC(C)(C)[C@H](O)C[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000324486671 376839421 /nfs/dbraw/zinc/83/94/21/376839421.db2.gz KLGRBSOFESQLSD-OUCADQQQSA-N 1 0 273.442 2.038 10 0 CEAERO CCN1CC[C@@H]([NH2+][C@@H](C)c2ccc3c(c2)OCO3)C1 ZINC000328514128 376852155 /nfs/dbraw/zinc/85/21/55/376852155.db2.gz OXISXBBXSZKOIY-WCQYABFASA-N 1 0 262.353 2.160 10 0 CEAERO [NH3+][C@H]1CN(C(=O)C2CCC2)CC[C@@H]1c1ccccc1 ZINC000616570530 542157525 /nfs/dbraw/zinc/15/75/25/542157525.db2.gz NATUYMUZXYGWKV-CABCVRRESA-N 1 0 258.365 2.130 10 0 CEAERO Cc1cccc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1C ZINC000060285742 542211815 /nfs/dbraw/zinc/21/18/15/542211815.db2.gz DHUXAVGOHSHLMJ-IAGOWNOFSA-N 1 0 274.408 2.339 10 0 CEAERO CCCCOC[C@@H](O)C[N@@H+]1CCCC[C@@H]1COCC ZINC000313300938 249390686 /nfs/dbraw/zinc/39/06/86/249390686.db2.gz UNABYWYMBRRFGH-CABCVRRESA-N 1 0 273.417 2.055 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]CCC2CC(O)C2)c1C ZINC000432413220 377759073 /nfs/dbraw/zinc/75/90/73/377759073.db2.gz LKDSNYXUZNTRQV-FNBIGBAISA-N 1 0 265.401 2.331 10 0 CEAERO Cc1ccc(C)c(NC(=O)CN2CCC[C@H](O)[C@@H]2C)c1 ZINC000296144021 378430728 /nfs/dbraw/zinc/43/07/28/378430728.db2.gz JSXNJUPVPQGAFJ-ZFWWWQNUSA-N 1 0 276.380 2.087 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C)c1c(C)noc1C ZINC000177001621 542243088 /nfs/dbraw/zinc/24/30/88/542243088.db2.gz ODMVVJWMYORQIQ-SMDDNHRTSA-N 1 0 293.411 2.338 10 0 CEAERO COC(=O)c1cccnc1C[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000302297973 379353277 /nfs/dbraw/zinc/35/32/77/379353277.db2.gz HAZRDHWHIMOQSL-NEPJUHHUSA-N 1 0 262.353 2.346 10 0 CEAERO C[C@H]1C[C@@H](O)C[N@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000334746445 207008128 /nfs/dbraw/zinc/00/81/28/207008128.db2.gz PYBOGMFQIRNKJL-XJKSGUPXSA-N 1 0 271.364 2.075 10 0 CEAERO C[C@@H](CS(C)(=O)=O)[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000183258108 542290233 /nfs/dbraw/zinc/29/02/33/542290233.db2.gz NVQAQUUAJKVMNP-IINYFYTJSA-N 1 0 285.384 2.226 10 0 CEAERO CCC(CC)[C@@H](CNC(=O)c1ccc(Cl)nn1)[NH+](C)C ZINC000040807656 184547945 /nfs/dbraw/zinc/54/79/45/184547945.db2.gz DKMWYJPZENSROY-GFCCVEGCSA-N 1 0 298.818 2.226 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(SC[C@@H](O)COC)cc1 ZINC000079581681 184594727 /nfs/dbraw/zinc/59/47/27/184594727.db2.gz UPVICNLYPCQTLK-AAEUAGOBSA-N 1 0 269.410 2.457 10 0 CEAERO COC(OC)[C@H](C)[NH2+]Cc1cc2c(c(Cl)c1)OCO2 ZINC000079608333 184595683 /nfs/dbraw/zinc/59/56/83/184595683.db2.gz SOTPBVBTBXAGBU-QMMMGPOBSA-N 1 0 287.743 2.166 10 0 CEAERO CC[NH2+][C@@H]1CCC(C)(C)C[C@H]1Sc1nc[nH]n1 ZINC000081850098 184597347 /nfs/dbraw/zinc/59/73/47/184597347.db2.gz HHMSPOXIBCRSRD-NXEZZACHSA-N 1 0 254.403 2.454 10 0 CEAERO CC[C@](C)(C[NH3+])OCC(=O)Nc1ccc(C)cc1 ZINC000086710174 184610163 /nfs/dbraw/zinc/61/01/63/184610163.db2.gz HLPSPRWUGZBCNJ-CQSZACIVSA-N 1 0 250.342 2.078 10 0 CEAERO CC(C)[NH2+]CCCCS(=O)(=O)N(C)Cc1ccccc1 ZINC000088915186 184614385 /nfs/dbraw/zinc/61/43/85/184614385.db2.gz RFKPWTYUFHKJAZ-UHFFFAOYSA-N 1 0 298.452 2.226 10 0 CEAERO CCCN(C(C)C)S(=O)(=O)c1cc(C[NH2+]C)oc1C ZINC000088945642 184615206 /nfs/dbraw/zinc/61/52/06/184615206.db2.gz SICBGJBIBUHDKO-UHFFFAOYSA-N 1 0 288.413 2.117 10 0 CEAERO CC(C)[NH2+]CCCCS(=O)(=O)N(C)[C@@H](C)C(C)C ZINC000088963643 184615784 /nfs/dbraw/zinc/61/57/84/184615784.db2.gz YGRWTSAXCLKYPA-ZDUSSCGKSA-N 1 0 278.462 2.071 10 0 CEAERO CCC[NH2+][C@H]1CCN(CC2C(C)(C)C2(C)C)C1=O ZINC000092817213 184628942 /nfs/dbraw/zinc/62/89/42/184628942.db2.gz XPCDJAWMEPGXMU-NSHDSACASA-N 1 0 252.402 2.269 10 0 CEAERO CC[NH2+]Cc1cn(C)nc1-c1ccc(OC)cc1OC ZINC000093297039 184661330 /nfs/dbraw/zinc/66/13/30/184661330.db2.gz NNKBXQVMUGYWJX-UHFFFAOYSA-N 1 0 275.352 2.214 10 0 CEAERO C[NH2+]Cc1cn(C)nc1-c1cccc(OC(F)F)c1 ZINC000093296909 184661378 /nfs/dbraw/zinc/66/13/78/184661378.db2.gz VWJHSFDAZMDLAG-UHFFFAOYSA-N 1 0 267.279 2.408 10 0 CEAERO CC[NH2+][C@H](Cc1ccc(CC)s1)C(OC)OC ZINC000093305278 184662127 /nfs/dbraw/zinc/66/21/27/184662127.db2.gz BCMKRNRCKXVCEX-GFCCVEGCSA-N 1 0 257.399 2.450 10 0 CEAERO CCC(CC)N(CC(C)C)C(=O)[C@@H]1C[C@@H](OC)C[NH2+]1 ZINC000093310215 184662996 /nfs/dbraw/zinc/66/29/96/184662996.db2.gz COADFWLAHYWJSL-KGLIPLIRSA-N 1 0 270.417 2.037 10 0 CEAERO CCCn1c2cccc(F)c2nc1COCC[NH3+] ZINC000093228596 184657319 /nfs/dbraw/zinc/65/73/19/184657319.db2.gz RCOVMLSPRXNVTD-UHFFFAOYSA-N 1 0 251.305 2.061 10 0 CEAERO Cc1c(C(=O)N[C@H](CC(C)C)C[NH+](C)C)ccn1C ZINC000195144697 542364953 /nfs/dbraw/zinc/36/49/53/542364953.db2.gz OVCFKHFTCXTBSC-CYBMUJFWSA-N 1 0 265.401 2.040 10 0 CEAERO COC[C@](C)(O)C[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000382559427 542365100 /nfs/dbraw/zinc/36/51/00/542365100.db2.gz KXGURBPAWRXPMU-GBJTYRQASA-N 1 0 257.418 2.434 10 0 CEAERO C[C@H]1CN(C(=O)c2cc(Cl)c3ccccc3n2)C[C@H]1[NH3+] ZINC000335380536 208322428 /nfs/dbraw/zinc/32/24/28/208322428.db2.gz MMRBLAQHZSRQGB-JOYOIKCWSA-N 1 0 289.766 2.307 10 0 CEAERO C[C@@H]1CN(Cc2ccc(Br)o2)C[C@H]1[NH+](C)C ZINC000289178156 197254857 /nfs/dbraw/zinc/25/48/57/197254857.db2.gz AFPDFAAJPUJXKB-MWLCHTKSSA-N 1 0 287.201 2.424 10 0 CEAERO C[C@@H](C[C@H]1CCCC[NH2+]1)Nc1ccc2oc(=O)[nH]c2c1 ZINC000093485812 184682959 /nfs/dbraw/zinc/68/29/59/184682959.db2.gz SGLOQOONEMJFMA-WDEREUQCSA-N 1 0 275.352 2.454 10 0 CEAERO C[C@@]1(c2ccc3c(c2)Cc2ccccc2-3)CNC(=[NH2+])N1 ZINC000093357419 184666611 /nfs/dbraw/zinc/66/66/11/184666611.db2.gz QZHWLOQIGDUZAD-KRWDZBQOSA-N 1 0 263.344 2.391 10 0 CEAERO C[C@@]1(c2ccc(F)c(Cl)c2)CNC(=[NH2+])N1C1CC1 ZINC000093373811 184668062 /nfs/dbraw/zinc/66/80/62/184668062.db2.gz PLGYHVJWEZBTMD-ZDUSSCGKSA-N 1 0 267.735 2.487 10 0 CEAERO [NH2+]=C1NC[C@@H](c2ccc3c(c2)CCO3)N1C1CCCC1 ZINC000093391878 184670211 /nfs/dbraw/zinc/67/02/11/184670211.db2.gz RIOYKZCKLVXZOR-AWEZNQCLSA-N 1 0 271.364 2.236 10 0 CEAERO [NH2+]=C1NC[C@@H](c2ccc(O)cc2)N1Cc1cccs1 ZINC000093392402 184670307 /nfs/dbraw/zinc/67/03/07/184670307.db2.gz XNQGPBMPFGRCBK-ZDUSSCGKSA-N 1 0 273.361 2.325 10 0 CEAERO CCN1CCC[C@H]([NH2+][C@H]2CC(C)(C)OC2(C)C)C1 ZINC000246630424 285269351 /nfs/dbraw/zinc/26/93/51/285269351.db2.gz YRANKUUYSJNKPK-STQMWFEESA-N 1 0 254.418 2.406 10 0 CEAERO CC[NH2+][C@H](C)CCS(=O)(=O)c1ccc(C)cc1C ZINC000081922537 177895689 /nfs/dbraw/zinc/89/56/89/177895689.db2.gz GJNDFMAEFYNPIS-CYBMUJFWSA-N 1 0 269.410 2.465 10 0 CEAERO COCCCSC[C@@H]([NH3+])c1cccc(OC)c1 ZINC000081887322 177878746 /nfs/dbraw/zinc/87/87/46/177878746.db2.gz GTXPKGNJFBRHOY-CYBMUJFWSA-N 1 0 255.383 2.465 10 0 CEAERO Cc1ccc([C@@H]([NH3+])CSc2n[nH]c(=O)n2C2CC2)cc1 ZINC000081880084 177874035 /nfs/dbraw/zinc/87/40/35/177874035.db2.gz UBQICWRWWQCVKU-LBPRGKRZSA-N 1 0 290.392 2.007 10 0 CEAERO CC(C)n1c(S[C@H]2CCCCCC[C@H]2[NH3+])n[nH]c1=O ZINC000081879431 177873006 /nfs/dbraw/zinc/87/30/06/177873006.db2.gz CUOWTQZMUNHIMH-MNOVXSKESA-N 1 0 284.429 2.295 10 0 CEAERO CCC[NH2+][C@H](CSCCO)c1cccc(OC)c1 ZINC000081798055 177863333 /nfs/dbraw/zinc/86/33/33/177863333.db2.gz BPAOSDSNADZVIM-CQSZACIVSA-N 1 0 269.410 2.461 10 0 CEAERO CC[NH2+][C@H]1CCC[C@@H]1Sc1nnc(N(C)C)s1 ZINC000081769445 177856535 /nfs/dbraw/zinc/85/65/35/177856535.db2.gz UEGMEZVOMIVKCO-IUCAKERBSA-N 1 0 272.443 2.227 10 0 CEAERO [NH3+]CC1(Nc2nccc(C(F)(F)F)n2)CCCC1 ZINC000081587119 177825385 /nfs/dbraw/zinc/82/53/85/177825385.db2.gz IQWAQWQWWQPXSA-UHFFFAOYSA-N 1 0 260.263 2.179 10 0 CEAERO CCCCN(c1ccccc1)S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000081582630 177823969 /nfs/dbraw/zinc/82/39/69/177823969.db2.gz FXCVEWIUOFRDHT-HNNXBMFYSA-N 1 0 296.436 2.375 10 0 CEAERO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N1CCOCC1 ZINC000242548653 256867986 /nfs/dbraw/zinc/86/79/86/256867986.db2.gz LSFFGNMZSQIDQA-NVXWUHKLSA-N 1 0 274.408 2.229 10 0 CEAERO CCO[C@H](C)c1noc(C2(CC)CC[NH2+]CC2)n1 ZINC000080741865 177697604 /nfs/dbraw/zinc/69/76/04/177697604.db2.gz MFILBHLQHXTEEG-SNVBAGLBSA-N 1 0 253.346 2.198 10 0 CEAERO CCOC(=O)C[C@]1([NH+]2CCCCCC2)CCN(C2CC2)C1 ZINC000080685109 177690282 /nfs/dbraw/zinc/69/02/82/177690282.db2.gz NXNHWABXDBVESQ-QGZVFWFLSA-N 1 0 294.439 2.423 10 0 CEAERO Cc1csc([C@H](C)NC(=O)CC[C@@H](C)CC[NH3+])n1 ZINC000080272624 177635532 /nfs/dbraw/zinc/63/55/32/177635532.db2.gz RCPODCXRJZESQU-KOLCDFICSA-N 1 0 269.414 2.394 10 0 CEAERO CC[C@H](NC(=O)CCCCC[NH3+])c1nccs1 ZINC000080268786 177634200 /nfs/dbraw/zinc/63/42/00/177634200.db2.gz OWLJGOCGIUTTBK-JTQLQIEISA-N 1 0 255.387 2.230 10 0 CEAERO CCOC(=O)[C@]1(NC)CC[C@H]([N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000093822601 184725774 /nfs/dbraw/zinc/72/57/74/184725774.db2.gz KSYGSVPYJVLYQA-FQLMCAECSA-N 1 0 282.428 2.038 10 0 CEAERO CCC[NH2+][C@H]1CCC[C@H]1CCn1c(C)cc(C)nc1=O ZINC000093556278 184690361 /nfs/dbraw/zinc/69/03/61/184690361.db2.gz WLVZEOAVIZZDOX-GJZGRUSLSA-N 1 0 277.412 2.419 10 0 CEAERO CC[NH2+][C@H]1CCC[C@@H]1CCSCCC(=O)OC ZINC000093578030 184691689 /nfs/dbraw/zinc/69/16/89/184691689.db2.gz JBOLEJSEHBJQFO-NEPJUHHUSA-N 1 0 259.415 2.451 10 0 CEAERO OC[C@]1([NH2+]C2CC2)CCC[C@H]1CCOC1CCC1 ZINC000093619275 184696886 /nfs/dbraw/zinc/69/68/86/184696886.db2.gz BOWZDQCLFSCPFF-SWLSCSKDSA-N 1 0 253.386 2.229 10 0 CEAERO Cc1cccc(OCC[C@@H]2CCC[C@]2([NH3+])C(N)=O)c1C ZINC000093624371 184697652 /nfs/dbraw/zinc/69/76/52/184697652.db2.gz FWXITBFKALJHEI-XJKSGUPXSA-N 1 0 276.380 2.055 10 0 CEAERO COC(=O)[C@@]1([NH3+])CCC[C@@H]1CCOc1cccc(C)c1 ZINC000093624900 184698137 /nfs/dbraw/zinc/69/81/37/184698137.db2.gz CLTUAYILPRXQRG-CZUORRHYSA-N 1 0 277.364 2.435 10 0 CEAERO Cc1c(CNCC2([NH+](C)C)CCCCC2)cnn1C ZINC000093649250 184702260 /nfs/dbraw/zinc/70/22/60/184702260.db2.gz RTNOAIPQRHCOET-UHFFFAOYSA-N 1 0 264.417 2.083 10 0 CEAERO Cc1cccc(NC(=O)[C@H]2CCCC[C@@H]2C[NH3+])c1O ZINC000093654676 184703646 /nfs/dbraw/zinc/70/36/46/184703646.db2.gz PXWJGIDWKPIXTL-NEPJUHHUSA-N 1 0 262.353 2.404 10 0 CEAERO Cc1ccccc1[C@@H]([NH3+])C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093699860 184707838 /nfs/dbraw/zinc/70/78/38/184707838.db2.gz JKIUGQAOHVPKSI-HIFRSBDPSA-N 1 0 296.436 2.057 10 0 CEAERO CC[NH2+][C@@]1(CO)CCC[C@@H](N(CC(F)(F)F)C2CC2)C1 ZINC000093782848 184721223 /nfs/dbraw/zinc/72/12/23/184721223.db2.gz CXFAAVGRPKNCGC-OLZOCXBDSA-N 1 0 294.361 2.296 10 0 CEAERO C[NH2+][C@H]1CC[C@H](Oc2ccc3c(c2)CCC(=O)N3)C1 ZINC000093798410 184722965 /nfs/dbraw/zinc/72/29/65/184722965.db2.gz SNSKFLYCRULBKQ-AAEUAGOBSA-N 1 0 260.337 2.091 10 0 CEAERO CC[NH2+][C@H](C)c1cccc(N2CC(OC)(OC)C2)c1 ZINC000093964766 184746834 /nfs/dbraw/zinc/74/68/34/184746834.db2.gz UOLOZPSNTKCQBQ-GFCCVEGCSA-N 1 0 264.369 2.166 10 0 CEAERO O=C(/C=C/c1ccco1)N(CC1CC[NH2+]CC1)C1CC1 ZINC000094023435 184751071 /nfs/dbraw/zinc/75/10/71/184751071.db2.gz IRXBPDIEVYGUBS-AATRIKPKSA-N 1 0 274.364 2.283 10 0 CEAERO Cc1ccoc1C(=O)N(CC1CC[NH2+]CC1)C(C)C ZINC000094023132 184751193 /nfs/dbraw/zinc/75/11/93/184751193.db2.gz XRLJYSLDXXRCTO-UHFFFAOYSA-N 1 0 264.369 2.438 10 0 CEAERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1c1ncc(Cl)cc1F ZINC000094052631 184753016 /nfs/dbraw/zinc/75/30/16/184753016.db2.gz NWHMEUQBUXBBHX-PSASIEDQSA-N 1 0 269.751 2.308 10 0 CEAERO [NH3+]C1CCC(Nc2ccc3c(c2)NC(=O)CS3)CC1 ZINC000094079912 184754029 /nfs/dbraw/zinc/75/40/29/184754029.db2.gz MNADMFAUEQYVBE-UHFFFAOYSA-N 1 0 277.393 2.413 10 0 CEAERO C[C@H]([NH3+])[C@](O)([C@@H]1CCCc2cccnc21)C(F)(F)F ZINC000094110072 184755120 /nfs/dbraw/zinc/75/51/20/184755120.db2.gz TVPCUSDIOQFPQU-XRNSZHNASA-N 1 0 274.286 2.142 10 0 CEAERO CCCn1ccnc1C[C@@H]([NH3+])Cc1ccc(OC)cc1 ZINC000094145535 184756899 /nfs/dbraw/zinc/75/68/99/184756899.db2.gz OBSNIJZBECMUEO-AWEZNQCLSA-N 1 0 273.380 2.414 10 0 CEAERO C[NH2+][C@H](Cc1nccn1C)Cc1ccc(C)c(C)c1 ZINC000094159677 184757506 /nfs/dbraw/zinc/75/75/06/184757506.db2.gz HQJCWVIVKCQKJH-HNNXBMFYSA-N 1 0 257.381 2.410 10 0 CEAERO Cc1ccccc1CCN1CC[C@H]([NH2+]C(C)C)C1=O ZINC000094186836 184760685 /nfs/dbraw/zinc/76/06/85/184760685.db2.gz QKAAPZZUDHXMPT-HNNXBMFYSA-N 1 0 260.381 2.136 10 0 CEAERO CC[C@](C)([NH3+])C(=O)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000094234468 184767681 /nfs/dbraw/zinc/76/76/81/184767681.db2.gz YUHVQXQCXOWJMM-DOMZBBRYSA-N 1 0 296.436 2.383 10 0 CEAERO Cc1cscc1-c1nc([C@@H](C)N2CC[NH2+]CC2)no1 ZINC000094249222 184769705 /nfs/dbraw/zinc/76/97/05/184769705.db2.gz DMDBCMQDVVQZQY-SNVBAGLBSA-N 1 0 278.381 2.073 10 0 CEAERO CCCS(=O)(=O)Nc1ccc(C(C)(C)CC[NH3+])cc1 ZINC000094269741 184773481 /nfs/dbraw/zinc/77/34/81/184773481.db2.gz XFEJFARQWWROTF-UHFFFAOYSA-N 1 0 284.425 2.465 10 0 CEAERO [NH3+]C1(CC(=O)N2CC[C@@H]3CCCC[C@@H]3C2)CCC1 ZINC000094293621 184777344 /nfs/dbraw/zinc/77/73/44/184777344.db2.gz GDVAXSLAIQYYLC-QWHCGFSZSA-N 1 0 250.386 2.297 10 0 CEAERO [NH3+]C1(CC(=O)N2CC[C@H]3CCCC[C@H]3C2)CCC1 ZINC000094293624 184777516 /nfs/dbraw/zinc/77/75/16/184777516.db2.gz GDVAXSLAIQYYLC-OLZOCXBDSA-N 1 0 250.386 2.297 10 0 CEAERO CC1(C)CC[C@H](Oc2ccc3c(c2)CCC(=O)N3)[C@H]1[NH3+] ZINC000094307653 184778690 /nfs/dbraw/zinc/77/86/90/184778690.db2.gz LWZYYHHCFGUZIQ-DZGCQCFKSA-N 1 0 274.364 2.466 10 0 CEAERO CCOC(=O)[C@H](C)Oc1c(F)cc(C[C@H](C)[NH3+])cc1F ZINC000094350112 184786713 /nfs/dbraw/zinc/78/67/13/184786713.db2.gz OZCSGOLHVHLCDD-IUCAKERBSA-N 1 0 287.306 2.185 10 0 CEAERO c1ccc(CC[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)nc1 ZINC000094365864 184789809 /nfs/dbraw/zinc/78/98/09/184789809.db2.gz BYIQFZOJSOJLJP-HUUCEWRRSA-N 1 0 278.421 2.268 10 0 CEAERO CC[C@@](C)(O)C[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000094374061 184790957 /nfs/dbraw/zinc/79/09/57/184790957.db2.gz BUSGLAXUIQGSDK-QWHCGFSZSA-N 1 0 273.442 2.182 10 0 CEAERO COc1cc(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)ccn1 ZINC000094372416 184791065 /nfs/dbraw/zinc/79/10/65/184791065.db2.gz CBJNVDDGQZULDO-UKRRQHHQSA-N 1 0 294.420 2.235 10 0 CEAERO [NH3+]C1(CO[C@@H]2CCO[C@]3(CCSC3)C2)CCCC1 ZINC000094381093 184791391 /nfs/dbraw/zinc/79/13/91/184791391.db2.gz CDTCPEGUABBUNQ-TZMCWYRMSA-N 1 0 271.426 2.329 10 0 CEAERO CC[C@@]([NH3+])(COC)[C@H]1CCOC2(CCSCC2)C1 ZINC000094391080 184793109 /nfs/dbraw/zinc/79/31/09/184793109.db2.gz XUZCBTWJJXEXCX-GXTWGEPZSA-N 1 0 273.442 2.433 10 0 CEAERO C([C@H]1CCCC[NH2+]1)[C@H]1CCOC2(CCOCC2)C1 ZINC000094411455 184794213 /nfs/dbraw/zinc/79/42/13/184794213.db2.gz GUSSRKUNJLSSIO-ZIAGYGMSSA-N 1 0 253.386 2.494 10 0 CEAERO COC(=O)[C@@H](C)C[N@H+](C)[C@@H]1CCOC2(CCCC2)C1 ZINC000094410724 184794422 /nfs/dbraw/zinc/79/44/22/184794422.db2.gz WUKAHCZMIHWXDM-QWHCGFSZSA-N 1 0 269.385 2.219 10 0 CEAERO CCC[NH2+]C1CCC(O)([C@H]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000094418417 184795168 /nfs/dbraw/zinc/79/51/68/184795168.db2.gz LMIMZENPQXOBTM-SOEBMCCKSA-N 1 0 297.439 2.245 10 0 CEAERO COCC[NH2+]C[C@H](C)C[C@H]1CCOC2(CCOCC2)C1 ZINC000094416299 184795231 /nfs/dbraw/zinc/79/52/31/184795231.db2.gz AQHMMOKQNVDOJE-HUUCEWRRSA-N 1 0 285.428 2.224 10 0 CEAERO [NH3+]C[C@H](Cc1ccccc1)Nc1ccc2nccnc2n1 ZINC000094727536 184848499 /nfs/dbraw/zinc/84/84/99/184848499.db2.gz HCPXNXSDYNOBKF-ZDUSSCGKSA-N 1 0 279.347 2.007 10 0 CEAERO COc1ccc2nc([C@@H]3CCCCC[C@H]3[NH3+])[nH]c2n1 ZINC000094745935 184851238 /nfs/dbraw/zinc/85/12/38/184851238.db2.gz NWCCSWCMXDYKCW-NXEZZACHSA-N 1 0 260.341 2.342 10 0 CEAERO [NH3+][C@H]1CCCCC[C@H]1C(=O)NCCc1cccc(F)c1 ZINC000094749969 184852301 /nfs/dbraw/zinc/85/23/01/184852301.db2.gz KJGHUHVLSPBMOB-CABCVRRESA-N 1 0 278.371 2.392 10 0 CEAERO CC(C)[NH2+]Cc1ccc(Cn2cc(Cl)cn2)nc1 ZINC000094759087 184855754 /nfs/dbraw/zinc/85/57/54/184855754.db2.gz IFDDYWSATVMGAX-UHFFFAOYSA-N 1 0 264.760 2.478 10 0 CEAERO CCC(CC)[N@H+](CCO)Cc1ccc(N)c(F)c1 ZINC000094772618 184859694 /nfs/dbraw/zinc/85/96/94/184859694.db2.gz IMWJRKAHFMUBPZ-UHFFFAOYSA-N 1 0 254.349 2.391 10 0 CEAERO CC[NH2+][C@H](Cc1cc(CC)nn1C)[C@]1(C)CCCO1 ZINC000094784197 184863063 /nfs/dbraw/zinc/86/30/63/184863063.db2.gz LRTVMMIUMFVGOB-CABCVRRESA-N 1 0 265.401 2.072 10 0 CEAERO CC[NH2+][C@H](c1ccc2c(c1)CC(=O)N2C)[C@@]1(C)CCCO1 ZINC000094788410 184864759 /nfs/dbraw/zinc/86/47/59/184864759.db2.gz ZSXXLQQCNQELKS-IAGOWNOFSA-N 1 0 288.391 2.425 10 0 CEAERO CC(C)(C)[C@H](CC[NH3+])CCC(=O)NC[C@@]1(C)CCCO1 ZINC000094802538 184868083 /nfs/dbraw/zinc/86/80/83/184868083.db2.gz LIRRUROEQZNOMQ-XJKSGUPXSA-N 1 0 284.444 2.463 10 0 CEAERO C[NH2+][C@H](C)Cc1nc(-c2cncc(Br)c2)no1 ZINC000094825620 184874306 /nfs/dbraw/zinc/87/43/06/184874306.db2.gz XOPHWCRLUKZHEU-SSDOTTSWSA-N 1 0 297.156 2.045 10 0 CEAERO CCCC[N@H+](CCO)CC[C@@H](O)c1cc(F)cc(F)c1 ZINC000094831038 184876623 /nfs/dbraw/zinc/87/66/23/184876623.db2.gz GIKWFJLKHUMHDA-OAHLLOKOSA-N 1 0 287.350 2.483 10 0 CEAERO C[C@H]1SCCC[C@@]1([NH2+]C1CCCCC1)C(N)=O ZINC000094479650 184808790 /nfs/dbraw/zinc/80/87/90/184808790.db2.gz DNMSYZQLCWWEBD-MFKMUULPSA-N 1 0 256.415 2.048 10 0 CEAERO CC[NH2+][C@H](Cc1cc(CC)nn1C)[C@H]1CSCCS1 ZINC000094498054 184810535 /nfs/dbraw/zinc/81/05/35/184810535.db2.gz DTBTUEKYCJTGKA-ZIAGYGMSSA-N 1 0 299.509 2.352 10 0 CEAERO C[NH2+][C@@H](Cc1nc([C@H]2CSCCS2)no1)C(C)C ZINC000094500481 184810948 /nfs/dbraw/zinc/81/09/48/184810948.db2.gz ULWCYGFVVQKUMB-VHSXEESVSA-N 1 0 287.454 2.377 10 0 CEAERO CN1C(=O)C[C@@H]([NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)C1=O ZINC000094544505 184815897 /nfs/dbraw/zinc/81/58/97/184815897.db2.gz ZWNHCHUEMMULJK-MUNBAKSISA-N 1 0 290.407 2.082 10 0 CEAERO C[C@@H]1C[C@@H]([NH3+])CN(C(=O)c2ccc(F)cc2Cl)C1 ZINC000094549995 184816348 /nfs/dbraw/zinc/81/63/48/184816348.db2.gz ONAYWXMREFJLJZ-PSASIEDQSA-N 1 0 270.735 2.288 10 0 CEAERO CC(C)c1ccccc1NC(=O)[C@@H]1CC[C@@H](C[NH3+])O1 ZINC000094563148 184818794 /nfs/dbraw/zinc/81/87/94/184818794.db2.gz MVCYQDIXQLRDFP-FZMZJTMJSA-N 1 0 262.353 2.255 10 0 CEAERO [NH3+]C[C@@H]1CC[C@H](c2nc(Cc3ccccc3Cl)no2)O1 ZINC000094560938 184818938 /nfs/dbraw/zinc/81/89/38/184818938.db2.gz VVIVYIDXYLHNGN-CMPLNLGQSA-N 1 0 293.754 2.493 10 0 CEAERO CCCC[C@H](C(=O)OC)C1(O)CC[NH+](C(C)C)CC1 ZINC000094611786 184826340 /nfs/dbraw/zinc/82/63/40/184826340.db2.gz RVKLVQPXWGGKJL-CYBMUJFWSA-N 1 0 271.401 2.201 10 0 CEAERO CC[NH2+][C@@H](C)C[C@@H](C)S(=O)(=O)c1cccc(F)c1 ZINC000094625067 184828484 /nfs/dbraw/zinc/82/84/84/184828484.db2.gz LLUHVWYDBCMHJH-WDEREUQCSA-N 1 0 273.373 2.376 10 0 CEAERO COc1ccc(Cc2noc([C@@H]3CCC[C@@H]([NH3+])C3)n2)cn1 ZINC000094631272 184829233 /nfs/dbraw/zinc/82/92/33/184829233.db2.gz OSFGBEIHKZZOBQ-VXGBXAGGSA-N 1 0 288.351 2.049 10 0 CEAERO C[NH2+][C@@H](Cc1ccc(OC)nc1)[C@@H]1CCc2cccnc21 ZINC000094632709 184830410 /nfs/dbraw/zinc/83/04/10/184830410.db2.gz UHRUJKUKRRGMAN-GJZGRUSLSA-N 1 0 283.375 2.346 10 0 CEAERO C[C@H](C[NH2+]C1CC1)C[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094644695 184832348 /nfs/dbraw/zinc/83/23/48/184832348.db2.gz VKAMDHOEIHWZCM-OBJOEFQTSA-N 1 0 273.442 2.368 10 0 CEAERO CCC[NH2+]Cc1ccc(OC)c(O[C@@H](C)[C@@H](C)O)c1 ZINC000094652787 184835137 /nfs/dbraw/zinc/83/51/37/184835137.db2.gz KGTSHDDOXSSMBV-NEPJUHHUSA-N 1 0 267.369 2.343 10 0 CEAERO CCn1nc(C)cc1C[C@H](C)[C@@H](C)[NH2+]CCOC ZINC000094656212 184835935 /nfs/dbraw/zinc/83/59/35/184835935.db2.gz ICNUFELIQYVCKD-WCQYABFASA-N 1 0 253.390 2.015 10 0 CEAERO CCOc1ccccc1C(=O)N[C@@H]1CC[C@@H](C)[NH2+][C@@H]1C ZINC000094665272 184837146 /nfs/dbraw/zinc/83/71/46/184837146.db2.gz CRPPKYXFFCCADK-YRGRVCCFSA-N 1 0 276.380 2.344 10 0 CEAERO Cc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C[NH3+])c(C)n1 ZINC000094665992 184837904 /nfs/dbraw/zinc/83/79/04/184837904.db2.gz PACMOYNKNLICLT-CHWSQXEVSA-N 1 0 261.369 2.402 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C2CC2)CN1Cc1ccc(O)cc1 ZINC000094690345 184839814 /nfs/dbraw/zinc/83/98/14/184839814.db2.gz PADYEMGKPDKUIU-GOEBONIOSA-N 1 0 260.381 2.355 10 0 CEAERO CC[C@@H]1CN(Cc2cccc(O)c2)[C@H](C2CC2)C[NH2+]1 ZINC000094689970 184839882 /nfs/dbraw/zinc/83/98/82/184839882.db2.gz KXRPWVNNHWGYHH-ZBFHGGJFSA-N 1 0 260.381 2.355 10 0 CEAERO CC(C)C[C@H](C[NH3+])C(=O)NCc1cc(F)ccc1F ZINC000094700419 184842244 /nfs/dbraw/zinc/84/22/44/184842244.db2.gz JGJCCQCSCSVFJJ-SNVBAGLBSA-N 1 0 270.323 2.202 10 0 CEAERO CC(C)C[C@H](C[NH3+])C(=O)N(C)c1ccc(F)cc1 ZINC000094699933 184842770 /nfs/dbraw/zinc/84/27/70/184842770.db2.gz OIWJZOXORUNMRC-LLVKDONJSA-N 1 0 252.333 2.410 10 0 CEAERO Cc1csc(C[C@@]2(C[NH2+]C(C)C)CCOC2)n1 ZINC000094977314 184909357 /nfs/dbraw/zinc/90/93/57/184909357.db2.gz SYWRQWKUGVTFNG-CYBMUJFWSA-N 1 0 254.399 2.399 10 0 CEAERO Cc1nc(C[C@](C)(O)CC[NH2+]C(C)C)sc1C ZINC000094982095 184909801 /nfs/dbraw/zinc/90/98/01/184909801.db2.gz RJZYICXUTFODEZ-CYBMUJFWSA-N 1 0 256.415 2.442 10 0 CEAERO C[NH2+][C@@H](C)c1ccnc(Sc2ncnc3[nH]cnc32)c1 ZINC000095002566 184912944 /nfs/dbraw/zinc/91/29/44/184912944.db2.gz XKQXWLVXXWAQFY-QMMMGPOBSA-N 1 0 286.364 2.180 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C(C)C)CN1Cc1cccnc1OC ZINC000095011209 184915563 /nfs/dbraw/zinc/91/55/63/184915563.db2.gz BAHUBXYJMNBAJQ-GJZGRUSLSA-N 1 0 277.412 2.299 10 0 CEAERO COC(=O)[C@H](CSCC[NH+](C)C)c1ccccc1 ZINC000095019767 184916753 /nfs/dbraw/zinc/91/67/53/184916753.db2.gz UAYULFLIWLIUHF-CYBMUJFWSA-N 1 0 267.394 2.238 10 0 CEAERO CC[NH2+]Cc1cccc(NC(=O)c2n[nH]c(C(C)C)n2)c1 ZINC000095045103 184923174 /nfs/dbraw/zinc/92/31/74/184923174.db2.gz ZXBAKRUWUNWUKD-UHFFFAOYSA-N 1 0 287.367 2.290 10 0 CEAERO [NH3+]CCN(C(=O)Cc1c(F)cccc1F)C1CCCC1 ZINC000095045582 184923349 /nfs/dbraw/zinc/92/33/49/184923349.db2.gz PKBUACUBKAPFIL-UHFFFAOYSA-N 1 0 282.334 2.237 10 0 CEAERO C[C@H]1CC[C@@H](CNC(=O)Cc2c(F)cccc2F)C[NH2+]1 ZINC000095048546 184923724 /nfs/dbraw/zinc/92/37/24/184923724.db2.gz IQDDCXILRBWEJN-WDEREUQCSA-N 1 0 282.334 2.012 10 0 CEAERO CCN(CC1CC[NH2+]CC1)C(=O)Cc1c(F)cccc1F ZINC000095047595 184924178 /nfs/dbraw/zinc/92/41/78/184924178.db2.gz DMGBFLXPIPTUJA-UHFFFAOYSA-N 1 0 296.361 2.355 10 0 CEAERO C[NH+](C)CCC1CN(C(=O)OCc2ccccc2)C1 ZINC000095074255 184935631 /nfs/dbraw/zinc/93/56/31/184935631.db2.gz WWPFLFASOFHFSB-UHFFFAOYSA-N 1 0 262.353 2.207 10 0 CEAERO CCC[NH2+][C@H](Cc1ncnn1C)c1cscc1C ZINC000094864563 184884466 /nfs/dbraw/zinc/88/44/66/184884466.db2.gz FJRIQQKKHPVAGU-GFCCVEGCSA-N 1 0 264.398 2.468 10 0 CEAERO [NH3+][C@H]1CCCCC[C@H]1Nc1ncnc2c1CCCC2 ZINC000094872486 184884984 /nfs/dbraw/zinc/88/49/84/184884984.db2.gz BNZDMIRZTRGLHB-GXTWGEPZSA-N 1 0 260.385 2.427 10 0 CEAERO Cc1cscc1CNC(=O)CC1CC[NH2+]CC1 ZINC000094877372 184886564 /nfs/dbraw/zinc/88/65/64/184886564.db2.gz SUXFACQYRYSBNR-UHFFFAOYSA-N 1 0 252.383 2.062 10 0 CEAERO CNc1cc(C)ccc1C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000094929066 184896429 /nfs/dbraw/zinc/89/64/29/184896429.db2.gz HHSAKNRSGAADIJ-UHFFFAOYSA-N 1 0 289.423 2.451 10 0 CEAERO CC[C@H](CC[NH3+])CNC(=O)C1(c2ccccc2)CC1 ZINC000094961765 184906039 /nfs/dbraw/zinc/90/60/39/184906039.db2.gz ZOZQGIJKWOLTHZ-CYBMUJFWSA-N 1 0 260.381 2.209 10 0 CEAERO Cc1nn(C)cc1C[NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC000282662691 195673414 /nfs/dbraw/zinc/67/34/14/195673414.db2.gz ISHGZOSQUCMSAM-LLVKDONJSA-N 1 0 296.415 2.074 10 0 CEAERO C[C@@H]([NH2+]CCN1CCOCC1)c1ccc(Cl)s1 ZINC000035285902 533395075 /nfs/dbraw/zinc/39/50/75/533395075.db2.gz HFVDPHBOHUTAQY-SNVBAGLBSA-N 1 0 274.817 2.384 10 0 CEAERO CCn1cc(C2CC[NH+](Cc3ccnc(N)c3)CC2)cn1 ZINC000191468792 130240524 /nfs/dbraw/zinc/24/05/24/130240524.db2.gz DSZJZQNUDJFFEK-UHFFFAOYSA-N 1 0 285.395 2.260 10 0 CEAERO Cc1cc([C@H]([NH2+]C2CCCCC2)C(N)=O)cc(C)c1O ZINC000037969871 291989196 /nfs/dbraw/zinc/98/91/96/291989196.db2.gz CDNQYZRHWLZHFE-AWEZNQCLSA-N 1 0 276.380 2.458 10 0 CEAERO C[C@H]1CN(c2ccncc2Br)C[C@H]1[NH+](C)C ZINC000252831696 131139028 /nfs/dbraw/zinc/13/90/28/131139028.db2.gz MSJAPXLUFQITFZ-JOYOIKCWSA-N 1 0 284.201 2.230 10 0 CEAERO C[C@H](CCO)C1(CNC(=O)c2ccc(C[NH3+])cc2)CCC1 ZINC000262345479 131213593 /nfs/dbraw/zinc/21/35/93/131213593.db2.gz XTQBUIZNKOQBPB-CYBMUJFWSA-N 1 0 290.407 2.064 10 0 CEAERO Cc1ccc(NC(=O)C2(C[NH3+])CCOCC2)c2cccnc12 ZINC000262351966 131214702 /nfs/dbraw/zinc/21/47/02/131214702.db2.gz VJNZCKORDCHLLN-UHFFFAOYSA-N 1 0 299.374 2.237 10 0 CEAERO NC(=[NH2+])[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000079838834 134492987 /nfs/dbraw/zinc/49/29/87/134492987.db2.gz XCUMASKEHSRWTA-QMMMGPOBSA-N 1 0 272.274 2.253 10 0 CEAERO CNC(=O)[C@H]1CCCCN1c1ccccc1C[NH2+]C(C)C ZINC000042423995 134891152 /nfs/dbraw/zinc/89/11/52/134891152.db2.gz ZGKDYFPLSVLRKV-MRXNPFEDSA-N 1 0 289.423 2.290 10 0 CEAERO Cc1ccnc(N2CCC(C[NH2+]CC(C)C)CC2)n1 ZINC000061859947 134930769 /nfs/dbraw/zinc/93/07/69/134930769.db2.gz BXTMBQWTUYHLQZ-UHFFFAOYSA-N 1 0 262.401 2.247 10 0 CEAERO COC[C@H](C)Oc1ccc(C)cc1N1CCC[C@@H]([NH3+])C1 ZINC000070378403 134946525 /nfs/dbraw/zinc/94/65/25/134946525.db2.gz BQPZQDJOMGPDCJ-UONOGXRCSA-N 1 0 278.396 2.336 10 0 CEAERO [NH3+][C@H]1CCN(CC(=O)N2CCCCCC2)c2ccccc21 ZINC000071325289 134964251 /nfs/dbraw/zinc/96/42/51/134964251.db2.gz WFSNMUZPZFIMFL-HNNXBMFYSA-N 1 0 287.407 2.299 10 0 CEAERO CC[NH2+][C@H]1CCN([C@@H](C)C(=O)N(C)C)c2ccccc21 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CC1(C)[C@H]([NH2+]CC2(C)CCOCC2)[C@@H]2CCO[C@@H]21 ZINC000224743830 394467273 /nfs/dbraw/zinc/46/72/73/394467273.db2.gz VGJVQFNINDFRIO-XQQFMLRXSA-N 1 0 253.386 2.206 10 0 CEAERO [NH3+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000226279865 394470430 /nfs/dbraw/zinc/47/04/30/394470430.db2.gz PUERPFDEJWTJDV-AXFHLTTASA-N 1 0 278.318 2.305 10 0 CEAERO CC(C)c1nccnc1N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000413167042 394496667 /nfs/dbraw/zinc/49/66/67/394496667.db2.gz HOVVGPYKMXGQJM-OLZOCXBDSA-N 1 0 262.401 2.307 10 0 CEAERO COCCN1CC[N@H+](CC2CCC(C)CC2)C[C@@H]1C ZINC000245696324 394503174 /nfs/dbraw/zinc/50/31/74/394503174.db2.gz CIMIQUJICHPXIJ-PCKAHOCUSA-N 1 0 268.445 2.465 10 0 CEAERO CC[C@@H]1CN2CCCC[C@H]2C[N@@H+]1CCOC(C)C ZINC000253183966 394575626 /nfs/dbraw/zinc/57/56/26/394575626.db2.gz GYVOLYHOLWTYQQ-CABCVRRESA-N 1 0 254.418 2.360 10 0 CEAERO CC[C@H](O)C[NH+]1CCN(C/C(C)=C\c2ccccc2)CC1 ZINC000255093436 394578893 /nfs/dbraw/zinc/57/88/93/394578893.db2.gz OKMSQYZLKDZUAB-ZUTYSQTGSA-N 1 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COCC1(C[N@@H+]2C[C@H]3CCCCN3C[C@@H]2C)CCC1 ZINC000336814627 394879245 /nfs/dbraw/zinc/87/92/45/394879245.db2.gz GBJZKMDGSACCAD-LSDHHAIUSA-N 1 0 266.429 2.362 10 0 CEAERO CC[C@H](SC)C(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000131490887 394912687 /nfs/dbraw/zinc/91/26/87/394912687.db2.gz HVCCXVWGRZIBQM-NEPJUHHUSA-N 1 0 258.431 2.071 10 0 CEAERO Cc1cnn(C)c1C[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC000286062458 395007076 /nfs/dbraw/zinc/00/70/76/395007076.db2.gz RNOURQYITPPXDQ-LBPRGKRZSA-N 1 0 296.415 2.074 10 0 CEAERO CC(C)[NH+](CCCNC(=O)[C@@H]1CC[C@@H](C)O1)C(C)C ZINC000158882100 395056826 /nfs/dbraw/zinc/05/68/26/395056826.db2.gz VCONCHWNPGCDCU-KGLIPLIRSA-N 1 0 270.417 2.179 10 0 CEAERO CCC(CC)NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000172236470 395101787 /nfs/dbraw/zinc/10/17/87/395101787.db2.gz POBYLCGZACHLCV-AAEUAGOBSA-N 1 0 253.390 2.053 10 0 CEAERO Cc1ccc(Br)c(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000235357101 292042661 /nfs/dbraw/zinc/04/26/61/292042661.db2.gz VVEHAXBUBJOKGL-BXKDBHETSA-N 1 0 297.196 2.177 10 0 CEAERO FC(F)(F)Oc1cccc(C[NH2+]C[C@H]2CC[NH2+]C2)c1 ZINC000398350677 395233799 /nfs/dbraw/zinc/23/37/99/395233799.db2.gz SEHINRNPXFOEMW-NSHDSACASA-N 1 0 274.286 2.284 10 0 CEAERO C[NH+](C)C[C@@H](N[C@@H]1CCn2ccnc21)c1ccccc1 ZINC000293880546 395254794 /nfs/dbraw/zinc/25/47/94/395254794.db2.gz FRQIOWRGSLYILW-HUUCEWRRSA-N 1 0 270.380 2.220 10 0 CEAERO CN1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)C1=O ZINC000517735909 395190023 /nfs/dbraw/zinc/19/00/23/395190023.db2.gz BGVXZGPBLRFDKM-AXFHLTTASA-N 1 0 278.318 2.318 10 0 CEAERO CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+][C@@H]2C[C@@H]2C)C1 ZINC000180638353 395204737 /nfs/dbraw/zinc/20/47/37/395204737.db2.gz SSBSOZKDKUVSSJ-WCQYABFASA-N 1 0 297.395 2.036 10 0 CEAERO CCC[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)[C@@H]1CC1(C)C ZINC000397651175 395224252 /nfs/dbraw/zinc/22/42/52/395224252.db2.gz AUMIKCCHDVDMKX-RVMXOQNASA-N 1 0 252.402 2.458 10 0 CEAERO CO[C@H](C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000186022487 395285187 /nfs/dbraw/zinc/28/51/87/395285187.db2.gz MQCPRGCRQLDTFW-RQJABVFESA-N 1 0 298.427 2.256 10 0 CEAERO CC(C)[C@]1(C)C[C@H]1C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000186373766 395290443 /nfs/dbraw/zinc/29/04/43/395290443.db2.gz IMDNMZGWCIENGW-NYTXWWLZSA-N 1 0 264.413 2.364 10 0 CEAERO CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401513178 395257481 /nfs/dbraw/zinc/25/74/81/395257481.db2.gz XMTFTVTUBQWYQE-KKUMJFAQSA-N 1 0 284.444 2.020 10 0 CEAERO C[C@H]([NH2+]CC(=O)NC(=O)NC1CCCC1)c1cccs1 ZINC000192865132 395395432 /nfs/dbraw/zinc/39/54/32/395395432.db2.gz MSHLEAKQTPEEMV-JTQLQIEISA-N 1 0 295.408 2.167 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)CCc2ccccc2)C1 ZINC000194629924 395444280 /nfs/dbraw/zinc/44/42/80/395444280.db2.gz FKFFXNUUPXXYPS-OAHLLOKOSA-N 1 0 260.381 2.220 10 0 CEAERO COC(C)(C)CC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000230416066 292055957 /nfs/dbraw/zinc/05/59/57/292055957.db2.gz YMLYTUZJAWMTPW-HIFRSBDPSA-N 1 0 255.402 2.429 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1cccc2ccncc21 ZINC000647827410 395760592 /nfs/dbraw/zinc/76/05/92/395760592.db2.gz AVKSWMVWMKFHPV-DOMZBBRYSA-N 1 0 269.348 2.092 10 0 CEAERO CC1(C)C[NH2+][C@@H]1C(=O)N1CCCC[C@H]1c1nccs1 ZINC000649317748 396119792 /nfs/dbraw/zinc/11/97/92/396119792.db2.gz PZOMSKFDZVQBJI-WDEREUQCSA-N 1 0 279.409 2.195 10 0 CEAERO C[C@@H]1C[C@@H](O)C[N@H+](CCOc2ccc(Cl)cc2)C1 ZINC000401698150 533674209 /nfs/dbraw/zinc/67/42/09/533674209.db2.gz LIUMYJAIUKEQTF-DGCLKSJQSA-N 1 0 269.772 2.422 10 0 CEAERO [NH3+]C1CCC(C(=O)N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000037749992 400118829 /nfs/dbraw/zinc/11/88/29/400118829.db2.gz SDFVUYKESAJHEJ-HSOILSAZSA-N 1 0 278.318 2.305 10 0 CEAERO Cc1sc2ncnc(N(C)CCC[NH3+])c2c1C ZINC000037673607 400119204 /nfs/dbraw/zinc/11/92/04/400119204.db2.gz OQZJKZNIFDZSFM-UHFFFAOYSA-N 1 0 250.371 2.093 10 0 CEAERO C[C@@H]1CCC[C@H](CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000300409169 400328169 /nfs/dbraw/zinc/32/81/69/400328169.db2.gz NFTXQXPKSPZYAH-RQJABVFESA-N 1 0 252.402 2.304 10 0 CEAERO CC(C)[C@@H]1CCCCN1C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000396106153 400556921 /nfs/dbraw/zinc/55/69/21/400556921.db2.gz UHWLFQDEOHWEPS-IHRRRGAJSA-N 1 0 252.402 2.399 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]CCCCCOC)C12CCOCC2 ZINC000186297813 286280478 /nfs/dbraw/zinc/28/04/78/286280478.db2.gz QZCVPJOLWRKHLV-HUUCEWRRSA-N 1 0 285.428 2.367 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](COC)C(C)C)C12CCOCC2 ZINC000249065546 286292722 /nfs/dbraw/zinc/29/27/22/286292722.db2.gz ZJGSSNIKZKGFGM-RBSFLKMASA-N 1 0 285.428 2.221 10 0 CEAERO COc1ccc(Cl)cc1CN1CCCNC(=O)[C@H]1C ZINC000189086026 153082978 /nfs/dbraw/zinc/08/29/78/153082978.db2.gz PFJYWEIICQJMNL-SNVBAGLBSA-N 1 0 282.771 2.059 10 0 CEAERO Cc1cnn([C@H]2CCC[N@H+](C[C@H](O)CC(F)(F)F)C2)c1 ZINC000189220954 153086632 /nfs/dbraw/zinc/08/66/32/153086632.db2.gz HCAQTUOMLGHCIJ-NWDGAFQWSA-N 1 0 291.317 2.142 10 0 CEAERO O=C(NCC1=CC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000189293200 153088884 /nfs/dbraw/zinc/08/88/84/153088884.db2.gz YIMOOIWWFGMYLP-UHFFFAOYSA-N 1 0 266.344 2.489 10 0 CEAERO CC(C)OC1CC([NH2+][C@H]2CCc3nnc(C(C)C)n3C2)C1 ZINC000189529721 153099180 /nfs/dbraw/zinc/09/91/80/153099180.db2.gz RDPXHZSEWPXEIH-HSBZDZAISA-N 1 0 292.427 2.262 10 0 CEAERO Cc1cncc(C[NH+]2CCC(c3cc[nH]n3)CC2)c1 ZINC000189832445 153108490 /nfs/dbraw/zinc/10/84/90/153108490.db2.gz PUFOGZZVIWCGRP-UHFFFAOYSA-N 1 0 256.353 2.493 10 0 CEAERO CCCCOC[C@H](O)C[N@@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000193379862 153231041 /nfs/dbraw/zinc/23/10/41/153231041.db2.gz YCMHUTJTNKRXQK-JKSUJKDBSA-N 1 0 295.427 2.006 10 0 CEAERO O=C(Cc1cccc(F)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195089123 153279008 /nfs/dbraw/zinc/27/90/08/153279008.db2.gz CXLFSOBGZOSUTF-OAHLLOKOSA-N 1 0 276.355 2.065 10 0 CEAERO CCc1ccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000195315564 153283885 /nfs/dbraw/zinc/28/38/85/153283885.db2.gz HVDFJQVPXAVTDL-HNNXBMFYSA-N 1 0 258.365 2.169 10 0 CEAERO CCc1csc([C@H]2CCCN(CC(=O)NC3CC3)C2)n1 ZINC000195381354 153286914 /nfs/dbraw/zinc/28/69/14/153286914.db2.gz JAIMNGVQAWWMFU-NSHDSACASA-N 1 0 293.436 2.164 10 0 CEAERO CCc1csc([C@H]2CCCN(CC(=O)NC(C)C)C2)n1 ZINC000195381663 153288447 /nfs/dbraw/zinc/28/84/47/153288447.db2.gz PTXQVIJPURPAKD-LBPRGKRZSA-N 1 0 295.452 2.410 10 0 CEAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)NCc1ccccc1 ZINC000227378933 153344837 /nfs/dbraw/zinc/34/48/37/153344837.db2.gz XQJYDWGNOARZTE-GDBMZVCRSA-N 1 0 287.407 2.455 10 0 CEAERO CCc1ccnc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000246193183 153533929 /nfs/dbraw/zinc/53/39/29/153533929.db2.gz XEXZDVHSYUHSQR-DOMZBBRYSA-N 1 0 275.396 2.103 10 0 CEAERO Cc1cc(CN2C[C@H](C)[C@H]([NH3+])C2)c2ccccc2n1 ZINC000261564885 153761114 /nfs/dbraw/zinc/76/11/14/153761114.db2.gz DJTOWZQEFMHJOM-XHDPSFHLSA-N 1 0 255.365 2.322 10 0 CEAERO CC(C)(C)c1ccnc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000261660749 153801562 /nfs/dbraw/zinc/80/15/62/153801562.db2.gz ZAYPOSZOVGXJRP-NEPJUHHUSA-N 1 0 260.385 2.105 10 0 CEAERO C[C@H]([NH3+])CC(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000261780599 153841778 /nfs/dbraw/zinc/84/17/78/153841778.db2.gz JOOKEQMRQUEVNZ-YUMQZZPRSA-N 1 0 258.724 2.394 10 0 CEAERO COC[C@@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])c1ccc(F)cc1 ZINC000261795396 153844023 /nfs/dbraw/zinc/84/40/23/153844023.db2.gz QOWZWBNPNJRAKZ-NWANDNLSSA-N 1 0 294.370 2.147 10 0 CEAERO COC[C@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])c1ccc(F)cc1 ZINC000261795394 153845525 /nfs/dbraw/zinc/84/55/25/153845525.db2.gz QOWZWBNPNJRAKZ-CFVMTHIKSA-N 1 0 294.370 2.147 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)[C@H](C)c1cccc(Cl)c1 ZINC000261825429 153853771 /nfs/dbraw/zinc/85/37/71/153853771.db2.gz UWJMOVUQOISNAS-NXEZZACHSA-N 1 0 254.761 2.168 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)CCc1cccc(Br)c1 ZINC000261867806 153863842 /nfs/dbraw/zinc/86/38/42/153863842.db2.gz ZGYYGUWEOZPJRY-JTQLQIEISA-N 1 0 299.212 2.106 10 0 CEAERO C[C@H]1CN(Cc2cnc(C(F)(F)F)s2)[C@@H](C)C[NH2+]1 ZINC000262061828 153907458 /nfs/dbraw/zinc/90/74/58/153907458.db2.gz RFIBYXIDGCHMRI-YUMQZZPRSA-N 1 0 279.331 2.344 10 0 CEAERO C[C@H]1C[C@@H](C(=O)N[C@H]2CCO[C@H](C(C)(C)C)C2)CC[NH2+]1 ZINC000262324471 153936542 /nfs/dbraw/zinc/93/65/42/153936542.db2.gz CZXSJKUJUMLHHV-XUXIUFHCSA-N 1 0 282.428 2.084 10 0 CEAERO C[C@H](C(=O)NC(C)(C)c1ccc(F)c(F)c1)C1C[NH2+]C1 ZINC000262558173 153958936 /nfs/dbraw/zinc/95/89/36/153958936.db2.gz QAXYNVZVQQRCFY-VIFPVBQESA-N 1 0 282.334 2.172 10 0 CEAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2cc(Cl)ccc2F)n1 ZINC000263150681 154025845 /nfs/dbraw/zinc/02/58/45/154025845.db2.gz DAYGKUCUHLEVGP-LLVKDONJSA-N 1 0 296.733 2.105 10 0 CEAERO O=C(NC1CC(c2ccccc2)C1)[C@@H]1CC(F)(F)CN1 ZINC000263183042 154032335 /nfs/dbraw/zinc/03/23/35/154032335.db2.gz GXSHHTBWZUSONY-BPCQOVAHSA-N 1 0 280.318 2.046 10 0 CEAERO CC(C)CC1(c2nc([C@H]3C[NH2+]CCN3C)no2)CCC1 ZINC000263218291 154037227 /nfs/dbraw/zinc/03/72/27/154037227.db2.gz LHPDWCYHVGGWBQ-GFCCVEGCSA-N 1 0 278.400 2.114 10 0 CEAERO CC(C)[C@H]1CC[C@@H]1[NH2+]C1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263514937 154109009 /nfs/dbraw/zinc/10/90/09/154109009.db2.gz OJWQZTWLDDLZQH-FJBKBRRZSA-N 1 0 294.439 2.338 10 0 CEAERO Cc1nnc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)s1 ZINC000366868582 156095248 /nfs/dbraw/zinc/09/52/48/156095248.db2.gz MVYFIVDYZWFRES-XQQFMLRXSA-N 1 0 281.425 2.362 10 0 CEAERO Cc1ccc2c(c1)OCCC[C@H]2[NH2+][C@H]1CCc2ncnn2C1 ZINC000180598670 292338286 /nfs/dbraw/zinc/33/82/86/292338286.db2.gz RXVVYRLWKWJXPT-DZGCQCFKSA-N 1 0 298.390 2.405 10 0 CEAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000367625486 156217507 /nfs/dbraw/zinc/21/75/07/156217507.db2.gz YITBGRYSXXZFKK-TZMCWYRMSA-N 1 0 264.417 2.353 10 0 CEAERO C[C@@H]1C[C@@H](O)C[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000401921389 533677578 /nfs/dbraw/zinc/67/75/78/533677578.db2.gz XCZFQHGYNMSYAD-ZYHUDNBSSA-N 1 0 271.307 2.491 10 0 CEAERO CC(C)CN(C(=O)[C@@H](C)C1C[NH2+]C1)C1CCCC1 ZINC000164668189 162337045 /nfs/dbraw/zinc/33/70/45/162337045.db2.gz UKBFGMPLUOKALL-LBPRGKRZSA-N 1 0 252.402 2.269 10 0 CEAERO CCC(O)(CC)C[N@@H+]1CC[C@@H](N2CCCCC2)C1 ZINC000165487438 162343388 /nfs/dbraw/zinc/34/33/88/162343388.db2.gz BTMIJQFHHBEQAY-CQSZACIVSA-N 1 0 254.418 2.098 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)Nc1ccc(N2CCCCC2)cn1 ZINC000165327535 162345413 /nfs/dbraw/zinc/34/54/13/162345413.db2.gz QJQGKKMXAYVODX-CYBMUJFWSA-N 1 0 276.384 2.138 10 0 CEAERO CCC[C@H]([NH3+])C(=O)NCCCCN(C)c1ccccc1 ZINC000165909132 162348287 /nfs/dbraw/zinc/34/82/87/162348287.db2.gz IRSXYMQAACDQLD-HNNXBMFYSA-N 1 0 277.412 2.147 10 0 CEAERO C[C@H]1CN(Cc2ccc(F)cc2Br)C[C@H]1[NH3+] ZINC000261533354 162542369 /nfs/dbraw/zinc/54/23/69/162542369.db2.gz HETMPIFJEUDUPZ-QPUJVOFHSA-N 1 0 287.176 2.367 10 0 CEAERO C[C@@H](N[C@@H](C)c1ccc2c(c1)OCCO2)[C@@H]1CCC[NH2+]1 ZINC000400400972 287051585 /nfs/dbraw/zinc/05/15/85/287051585.db2.gz KRGHFPXBWRNJSW-SCRDCRAPSA-N 1 0 276.380 2.249 10 0 CEAERO c1coc(-c2cc(CN3CC[N@@H+]4CCC[C@@H]4C3)no2)c1 ZINC000171643209 165049284 /nfs/dbraw/zinc/04/92/84/165049284.db2.gz XXSGCCMGCVMOLQ-CYBMUJFWSA-N 1 0 273.336 2.215 10 0 CEAERO COC[C@H](C)[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000173698060 165077709 /nfs/dbraw/zinc/07/77/09/165077709.db2.gz JPHKUBITUQOYES-GXFFZTMASA-N 1 0 251.374 2.209 10 0 CEAERO CCOC(=O)CCCC[N@H+](C)C[C@H]1CCCN1CC ZINC000175337804 165132421 /nfs/dbraw/zinc/13/24/21/165132421.db2.gz PTVLPYSVKQTIFB-CQSZACIVSA-N 1 0 270.417 2.136 10 0 CEAERO Cc1ccccc1-c1nc(CN2CC[N@@H+]3CCC[C@@H]3C2)no1 ZINC000177498490 165199750 /nfs/dbraw/zinc/19/97/50/165199750.db2.gz AMQIBVJMULFVOE-CQSZACIVSA-N 1 0 298.390 2.325 10 0 CEAERO CCC[C@@H](C)CC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000177442101 165200080 /nfs/dbraw/zinc/20/00/80/165200080.db2.gz WSPMXJPLUJRDES-HUUCEWRRSA-N 1 0 298.471 2.364 10 0 CEAERO COc1ccccc1OCCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177761284 165206869 /nfs/dbraw/zinc/20/68/69/165206869.db2.gz AZIOYLMXPQHSEG-OAHLLOKOSA-N 1 0 290.407 2.244 10 0 CEAERO O=C(CCc1ccc2[nH]ccc2c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000180472773 165310721 /nfs/dbraw/zinc/31/07/21/165310721.db2.gz CKSQSOOQGNQCSS-INIZCTEOSA-N 1 0 297.402 2.407 10 0 CEAERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3ncnn3C2)cc1 ZINC000180590526 165316359 /nfs/dbraw/zinc/31/63/59/165316359.db2.gz UHSOJRNKMSNVBU-TZMCWYRMSA-N 1 0 256.353 2.252 10 0 CEAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cnc(C)s1)CC2 ZINC000180633786 165317387 /nfs/dbraw/zinc/31/73/87/165317387.db2.gz CZCXTSDYLZFRLU-GXSJLCMTSA-N 1 0 291.424 2.271 10 0 CEAERO CC(C)(O)C[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183354706 165389899 /nfs/dbraw/zinc/38/98/99/165389899.db2.gz JZDSHGKKLRHMOI-ZDUSSCGKSA-N 1 0 253.317 2.050 10 0 CEAERO [NH3+]C[C@H](c1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000008031273 170315034 /nfs/dbraw/zinc/31/50/34/170315034.db2.gz JBJOAWIBFGVBNH-CQSZACIVSA-N 1 0 279.336 2.299 10 0 CEAERO Cc1cc([C@H]([NH3+])c2nccn2C)c2ccccc2n1 ZINC000011735788 170437208 /nfs/dbraw/zinc/43/72/08/170437208.db2.gz KZTFSVADXPFYTO-AWEZNQCLSA-N 1 0 252.321 2.325 10 0 CEAERO C[NH+](C)CCCC(=O)Nc1cc(Cl)ccc1N ZINC000019257367 170759846 /nfs/dbraw/zinc/75/98/46/170759846.db2.gz DDQGVFPTVKWFQR-UHFFFAOYSA-N 1 0 255.749 2.203 10 0 CEAERO [NH3+]Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3O2)cc1 ZINC000019405806 170787287 /nfs/dbraw/zinc/78/72/87/170787287.db2.gz HWUSOAFKBCDQJJ-HNNXBMFYSA-N 1 0 268.316 2.088 10 0 CEAERO CC(C)c1ccc(OCc2noc(CC[NH3+])n2)cc1 ZINC000019786274 170864975 /nfs/dbraw/zinc/86/49/75/170864975.db2.gz RCFKCXPNOYAXTI-UHFFFAOYSA-N 1 0 261.325 2.273 10 0 CEAERO [NH3+][C@@H](Cc1ccccc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000019842555 170890690 /nfs/dbraw/zinc/89/06/90/170890690.db2.gz PCTIZYHFGCNGQD-LBPRGKRZSA-N 1 0 253.305 2.099 10 0 CEAERO Cc1cccc(S(=O)(=O)N(C)CC[C@H]2CCCC[NH2+]2)c1 ZINC000019843971 170892091 /nfs/dbraw/zinc/89/20/91/170892091.db2.gz GXHZPPKCSRWPTC-CQSZACIVSA-N 1 0 296.436 2.148 10 0 CEAERO CC(=O)NCC[NH2+][C@@H](c1ccccc1)c1ccc(O)cc1 ZINC000020148849 171037179 /nfs/dbraw/zinc/03/71/79/171037179.db2.gz XRBKPRWGJRBOEX-KRWDZBQOSA-N 1 0 284.359 2.207 10 0 CEAERO [NH3+]CCN(C(=O)COc1ccccc1)C1CCCCC1 ZINC000020183559 171046401 /nfs/dbraw/zinc/04/64/01/171046401.db2.gz WPKGDVAXUZFHNJ-UHFFFAOYSA-N 1 0 276.380 2.185 10 0 CEAERO CC(C)N(C)C(=O)C[NH2+]Cc1ccc(Cl)cc1 ZINC000020210121 171074081 /nfs/dbraw/zinc/07/40/81/171074081.db2.gz IDHCXCIKPLYDRU-UHFFFAOYSA-N 1 0 254.761 2.296 10 0 CEAERO CC(C)c1ccc(S(=O)(=O)CCCC[NH3+])cc1 ZINC000020223528 171086117 /nfs/dbraw/zinc/08/61/17/171086117.db2.gz ZTCIACAGNLYPSU-UHFFFAOYSA-N 1 0 255.383 2.323 10 0 CEAERO COc1cccc(N(CCC[NH3+])C(=O)C(C)(C)C)c1 ZINC000020233645 171095709 /nfs/dbraw/zinc/09/57/09/171095709.db2.gz DXVZGZBZLCIFIU-UHFFFAOYSA-N 1 0 264.369 2.423 10 0 CEAERO Nc1cc(Cl)ccc1NC(=O)CC[NH+]1CCSCC1 ZINC000020256922 171111414 /nfs/dbraw/zinc/11/14/14/171111414.db2.gz CYDNYBIBKCPHBC-UHFFFAOYSA-N 1 0 299.827 2.300 10 0 CEAERO CCNC(=O)[C@H](C)[NH2+]C[C@H](c1ccccc1)N(CC)CC ZINC000020310115 171143930 /nfs/dbraw/zinc/14/39/30/171143930.db2.gz NJHNQXTWYIWHMO-GOEBONIOSA-N 1 0 291.439 2.184 10 0 CEAERO CCCCCNC(=O)[C@H](C)NCC[NH+](C(C)C)C(C)C ZINC000020365898 171164791 /nfs/dbraw/zinc/16/47/91/171164791.db2.gz DUTQHNNDTNKMBH-HNNXBMFYSA-N 1 0 285.476 2.390 10 0 CEAERO CCC[C@H](C)NC(=O)[C@@H](C)NCC[NH+](C(C)C)C(C)C ZINC000020365917 171164814 /nfs/dbraw/zinc/16/48/14/171164814.db2.gz QZRLTPLWDUWBQX-LSDHHAIUSA-N 1 0 285.476 2.388 10 0 CEAERO CC(C)CNC(=O)[C@@H](C)Oc1cccc([C@@H](C)[NH3+])c1 ZINC000020419806 171185377 /nfs/dbraw/zinc/18/53/77/171185377.db2.gz KUGBGUCEVBTIPT-VXGBXAGGSA-N 1 0 264.369 2.246 10 0 CEAERO CCC[NH2+]CCCOc1c(OC)cccc1OC ZINC000020525023 171238039 /nfs/dbraw/zinc/23/80/39/171238039.db2.gz IBBHTPPLMMUSIU-UHFFFAOYSA-N 1 0 253.342 2.472 10 0 CEAERO NC(=O)C[C@@H]([NH3+])c1ccc(SC(F)(F)F)cc1 ZINC000020578118 171256509 /nfs/dbraw/zinc/25/65/09/171256509.db2.gz PGAVGAVRAADTRP-MRVPVSSYSA-N 1 0 264.272 2.174 10 0 CEAERO O=C(C[NH2+]C1CCCC1)Nc1ccc(Cl)cn1 ZINC000021265130 171300277 /nfs/dbraw/zinc/30/02/77/171300277.db2.gz TVCJYJYLECCRHN-UHFFFAOYSA-N 1 0 253.733 2.206 10 0 CEAERO CCC[C@@H](C)NS(=O)(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000021515404 171311941 /nfs/dbraw/zinc/31/19/41/171311941.db2.gz BRMWWJACKAJTIN-MNOVXSKESA-N 1 0 270.398 2.173 10 0 CEAERO Cc1ccc(N)cc1NC(=O)CCC[NH+]1CCCC1 ZINC000022152654 171359630 /nfs/dbraw/zinc/35/96/30/171359630.db2.gz RGIWWCDFMHEVIE-UHFFFAOYSA-N 1 0 261.369 2.392 10 0 CEAERO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCCCCC2)c(N)c1 ZINC000022153259 171360424 /nfs/dbraw/zinc/36/04/24/171360424.db2.gz VFFXXOWYESIPGS-GFCCVEGCSA-N 1 0 291.395 2.480 10 0 CEAERO CCC[NH+](CCC)CC(=O)Nc1cc(N)ccc1F ZINC000022154039 171361167 /nfs/dbraw/zinc/36/11/67/171361167.db2.gz JJLRWQZLFUWDBF-UHFFFAOYSA-N 1 0 267.348 2.468 10 0 CEAERO COc1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2C)c(N)c1 ZINC000022155200 171362138 /nfs/dbraw/zinc/36/21/38/171362138.db2.gz CUTHDDZVVSXNSH-GFCCVEGCSA-N 1 0 291.395 2.480 10 0 CEAERO COc1cc(N)ccc1NC(=O)[C@@H](C)[NH+]1CCC(C)CC1 ZINC000022156089 171362508 /nfs/dbraw/zinc/36/25/08/171362508.db2.gz DTTAOWPWADSEGU-GFCCVEGCSA-N 1 0 291.395 2.336 10 0 CEAERO [NH3+]Cc1cccc(S(=O)(=O)Nc2ccc(F)cc2F)c1 ZINC000022168577 171366978 /nfs/dbraw/zinc/36/69/78/171366978.db2.gz AHGBHARVMQXNMD-UHFFFAOYSA-N 1 0 298.314 2.224 10 0 CEAERO [NH3+]Cc1cccc(NC(=O)CN2CCc3ccccc32)c1 ZINC000022174480 171369791 /nfs/dbraw/zinc/36/97/91/171369791.db2.gz HOUNQQPYENJHOI-UHFFFAOYSA-N 1 0 281.359 2.147 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Cl)c(N)c1 ZINC000022211049 171373566 /nfs/dbraw/zinc/37/35/66/171373566.db2.gz MZZTZGBKRIZPPN-NSHDSACASA-N 1 0 281.787 2.136 10 0 CEAERO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2ccc(F)cc2N)C1 ZINC000022218923 171376890 /nfs/dbraw/zinc/37/68/90/171376890.db2.gz LEVIQDMMAGBGPA-GHMZBOCLSA-N 1 0 279.359 2.324 10 0 CEAERO CCN(CC)C(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC000027984076 171541676 /nfs/dbraw/zinc/54/16/76/171541676.db2.gz ZDBVOUWICRBYRJ-UHFFFAOYSA-N 1 0 250.342 2.357 10 0 CEAERO O=C(COCC1CC[NH2+]CC1)Nc1ccc(Cl)cc1 ZINC000031840114 171649624 /nfs/dbraw/zinc/64/96/24/171649624.db2.gz PWQSKWIXLVOBGO-UHFFFAOYSA-N 1 0 282.771 2.295 10 0 CEAERO CCCc1nnc(SCC[NH3+])n1-c1ccccc1 ZINC000032112601 171705518 /nfs/dbraw/zinc/70/55/18/171705518.db2.gz FIFJBXARDXPXEA-UHFFFAOYSA-N 1 0 262.382 2.271 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(O[C@@H](C)C(=O)NC(C)C)cc1 ZINC000034818869 171871986 /nfs/dbraw/zinc/87/19/86/171871986.db2.gz PHFCFKFAIYZXNH-RYUDHWBXSA-N 1 0 264.369 2.259 10 0 CEAERO CC[C@H]([NH2+]CCC(N)=O)c1ccc(Br)cc1 ZINC000035133432 171999044 /nfs/dbraw/zinc/99/90/44/171999044.db2.gz PEJTWZALQBFBFV-NSHDSACASA-N 1 0 285.185 2.365 10 0 CEAERO C[C@H]([NH2+]Cc1ccccc1OC(F)(F)F)C(=O)N(C)C ZINC000035149114 172011739 /nfs/dbraw/zinc/01/17/39/172011739.db2.gz CWBPWJFXRTVMKJ-VIFPVBQESA-N 1 0 290.285 2.152 10 0 CEAERO COc1ccc(CC[NH2+]C[C@H]2CCCCO2)cc1OC ZINC000035151113 172014044 /nfs/dbraw/zinc/01/40/44/172014044.db2.gz IDUOZXFMKBASAV-CQSZACIVSA-N 1 0 279.380 2.405 10 0 CEAERO C[NH+](C)CCN[C@@H](c1ccccc1)c1ccncc1 ZINC000035174606 172027898 /nfs/dbraw/zinc/02/78/98/172027898.db2.gz QYAQSLXXCDWBEU-INIZCTEOSA-N 1 0 255.365 2.322 10 0 CEAERO O=C(C[NH2+][C@@H]1CCc2ccccc21)N1CCCCC1 ZINC000035180556 172034427 /nfs/dbraw/zinc/03/44/27/172034427.db2.gz MVVWPMUBQMKYDY-OAHLLOKOSA-N 1 0 258.365 2.276 10 0 CEAERO O=C(Nc1cc(Cl)ccc1F)[C@@H]1CCC[NH2+]C1 ZINC000035284662 172102501 /nfs/dbraw/zinc/10/25/01/172102501.db2.gz RPPWBUUDEWQBLO-MRVPVSSYSA-N 1 0 256.708 2.417 10 0 CEAERO COC[C@H](C)NC1=[NH+]C[C@@H](c2ccccc2)S1 ZINC000035294484 172105637 /nfs/dbraw/zinc/10/56/37/172105637.db2.gz XLBPOHJHFGTLOW-JQWIXIFHSA-N 1 0 250.367 2.455 10 0 CEAERO CCC[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)CC)cc1 ZINC000035633713 172316943 /nfs/dbraw/zinc/31/69/43/172316943.db2.gz WPYLFRXQGLQXNT-GFCCVEGCSA-N 1 0 284.425 2.388 10 0 CEAERO CC(=O)SC[C@H]1CC[N@@H+](C)[C@@H]1c1cccnc1 ZINC000035636247 172320702 /nfs/dbraw/zinc/32/07/02/172320702.db2.gz MTZCQHJDMWOPPV-CHWSQXEVSA-N 1 0 250.367 2.354 10 0 in-vitro CEAERO COc1ccccc1NC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000035690961 172359245 /nfs/dbraw/zinc/35/92/45/172359245.db2.gz IRTBPGBLDDOFCV-RYUDHWBXSA-N 1 0 277.368 2.205 10 0 CEAERO C[NH2+]Cc1cc(Cl)ccc1OCc1nnc(C)n1C ZINC000035696606 172364709 /nfs/dbraw/zinc/36/47/09/172364709.db2.gz NMRQXVLNJFJJEY-UHFFFAOYSA-N 1 0 280.759 2.075 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1Sc1nnc2n1CCCCC2 ZINC000035723933 172379184 /nfs/dbraw/zinc/37/91/84/172379184.db2.gz NYDYPEQDSWUOPC-QWRGUYRKSA-N 1 0 266.414 2.224 10 0 CEAERO CC[C@@H]1CC[C@H](C[NH3+])[C@H](Sc2nncn2C)C1 ZINC000035724120 172379398 /nfs/dbraw/zinc/37/93/98/172379398.db2.gz XUQAKKCGXZTJBO-GMTAPVOTSA-N 1 0 254.403 2.061 10 0 CEAERO CC(C)c1ccc2c(c1)[C@H]([NH3+])C[C@H](C)S2(=O)=O ZINC000035752303 172396786 /nfs/dbraw/zinc/39/67/86/172396786.db2.gz AGKVPIWLHNKXSZ-JOYOIKCWSA-N 1 0 253.367 2.376 10 0 CEAERO CC[NH2+]C[C@@H](O)COc1ccccc1C(C)(C)C ZINC000036950941 172824536 /nfs/dbraw/zinc/82/45/36/172824536.db2.gz IVADVYKBBBBONQ-GFCCVEGCSA-N 1 0 251.370 2.333 10 0 CEAERO CC[C@H]([NH3+])C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000037030930 172898181 /nfs/dbraw/zinc/89/81/81/172898181.db2.gz PAOBAFZPQIRFPD-ABAIWWIYSA-N 1 0 260.381 2.480 10 0 CEAERO CC[NH+]1CCC(Nc2ccc(OC)c(O)c2)CC1 ZINC000037134583 172975343 /nfs/dbraw/zinc/97/53/43/172975343.db2.gz UYSIEKANRUYPRH-UHFFFAOYSA-N 1 0 250.342 2.297 10 0 CEAERO [NH3+]C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(F)(F)F ZINC000037178054 173011418 /nfs/dbraw/zinc/01/14/18/173011418.db2.gz XPIDLWRLAKUDRM-QMMMGPOBSA-N 1 0 292.330 2.472 10 0 CEAERO CC[C@@H](C)[NH2+][C@H]1CCS(=O)(=O)c2ccccc21 ZINC000037186495 173017499 /nfs/dbraw/zinc/01/74/99/173017499.db2.gz MRJZGFZYBCDSRD-PWSUYJOCSA-N 1 0 253.367 2.293 10 0 CEAERO Cc1csc2nc(C)c(C[NH2+]C3CCC(O)CC3)n12 ZINC000037201823 173025326 /nfs/dbraw/zinc/02/53/26/173025326.db2.gz AOQJPSOTDNLORT-UHFFFAOYSA-N 1 0 279.409 2.406 10 0 CEAERO Cc1nn(C)c(C)c1N[C@@H](C)[C@H]1CCC[N@H+](C)C1 ZINC000037221031 173041096 /nfs/dbraw/zinc/04/10/96/173041096.db2.gz ONCRVHLKRYDYGT-GWCFXTLKSA-N 1 0 250.390 2.179 10 0 CEAERO CC(C)[NH2+]Cc1cc(Cl)ccc1OC[C@@H](C)C(N)=O ZINC000037226837 173047161 /nfs/dbraw/zinc/04/71/61/173047161.db2.gz QQBARJYBAUAZHM-SNVBAGLBSA-N 1 0 284.787 2.338 10 0 CEAERO Cc1nc2sccn2c1C[NH2+][C@H](C)Cn1cccn1 ZINC000037319801 173120421 /nfs/dbraw/zinc/12/04/21/173120421.db2.gz XLSLYEPYJDXTCY-SNVBAGLBSA-N 1 0 275.381 2.079 10 0 CEAERO Cc1nc2ccccn2c1C[NH2+][C@H]1CCC[C@H](O)C1 ZINC000037321077 173122161 /nfs/dbraw/zinc/12/21/61/173122161.db2.gz GAPYMROZVDRBAQ-STQMWFEESA-N 1 0 259.353 2.036 10 0 CEAERO CN(C)c1cccc(C(=O)Nc2ccc(C[NH3+])cc2)c1 ZINC000037328204 173128628 /nfs/dbraw/zinc/12/86/28/173128628.db2.gz HFESOINYMMDUKA-UHFFFAOYSA-N 1 0 269.348 2.464 10 0 CEAERO CC(C)[NH2+]C[C@@H](O)CSc1ccc(F)c(F)c1 ZINC000037380893 173167386 /nfs/dbraw/zinc/16/73/86/173167386.db2.gz OVRGDQORNCNUGC-SECBINFHSA-N 1 0 261.337 2.416 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000037394581 173175424 /nfs/dbraw/zinc/17/54/24/173175424.db2.gz OAXSHWXRLKXFLE-HZSPNIEDSA-N 1 0 252.402 2.413 10 0 CEAERO CC(C)[C@H](NC(=O)C[NH2+]C1CC1)c1cccs1 ZINC000037395407 173176223 /nfs/dbraw/zinc/17/62/23/173176223.db2.gz FMJNTHGDXBHACZ-ZDUSSCGKSA-N 1 0 252.383 2.313 10 0 CEAERO [NH3+][C@@H](Cc1c[nH]cn1)c1nc2c(cccc2Cl)[nH]1 ZINC000037443777 173211756 /nfs/dbraw/zinc/21/17/56/173211756.db2.gz DNVTZCFPYOLGLB-VIFPVBQESA-N 1 0 261.716 2.182 10 0 CEAERO O=C(C[NH2+]C1CC1)Nc1ccc(F)cc1Br ZINC000037476921 173228354 /nfs/dbraw/zinc/22/83/54/173228354.db2.gz OOLKTBZWVQGKTG-UHFFFAOYSA-N 1 0 287.132 2.279 10 0 CEAERO COCCN(CCOC)[C@@]1(C[NH3+])C[C@@H](C)CC(C)(C)C1 ZINC000037489429 173230955 /nfs/dbraw/zinc/23/09/55/173230955.db2.gz RTCNCEIPGOGQIU-HOCLYGCPSA-N 1 0 286.460 2.125 10 0 CEAERO CC(C)[NH2+]CC(=O)N(CC(F)(F)F)[C@@H](C)C1CC1 ZINC000037495691 173235020 /nfs/dbraw/zinc/23/50/20/173235020.db2.gz XSGZZMBNCPBIDL-VIFPVBQESA-N 1 0 266.307 2.174 10 0 CEAERO Nc1ccc(C[N@@H+]2CCC[C@H](CO)C2)c(Br)c1 ZINC000037515997 173247635 /nfs/dbraw/zinc/24/76/35/173247635.db2.gz CBVZEJDLPDWRSX-JTQLQIEISA-N 1 0 299.212 2.236 10 0 CEAERO CCN(C(=O)c1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000037541218 173263019 /nfs/dbraw/zinc/26/30/19/173263019.db2.gz XKHHFOOKLBPSIE-CYBMUJFWSA-N 1 0 250.317 2.040 10 0 CEAERO CN(C(=O)Nc1ccccc1F)[C@@H]1CCC[NH2+]C1 ZINC000037541706 173263890 /nfs/dbraw/zinc/26/38/90/173263890.db2.gz MMARZLGQGKCMFP-SNVBAGLBSA-N 1 0 251.305 2.041 10 0 CEAERO C[C@@H](NS(=O)(=O)c1ccc(C[NH3+])cc1)c1cccs1 ZINC000037573531 173523901 /nfs/dbraw/zinc/52/39/01/173523901.db2.gz RTICZDUHRMFJON-SNVBAGLBSA-N 1 0 296.417 2.246 10 0 CEAERO CC(C)(C)NC(=O)COc1ccc(Cl)cc1CC[NH3+] ZINC000037720943 173638732 /nfs/dbraw/zinc/63/87/32/173638732.db2.gz IWVVZKVZRKDIMY-UHFFFAOYSA-N 1 0 284.787 2.135 10 0 CEAERO [NH3+]C1CCC(C(=O)N2CCC[C@@H]2c2ccc[nH]2)CC1 ZINC000037819615 173771509 /nfs/dbraw/zinc/77/15/09/173771509.db2.gz HWZIMBSNNWZRTK-ORHYLEIMSA-N 1 0 261.369 2.196 10 0 CEAERO C[C@@H](C[NH2+][C@@H]1COc2cc(O)ccc21)N1CCCCC1 ZINC000038028602 174017079 /nfs/dbraw/zinc/01/70/79/174017079.db2.gz TZYSAVQNJSUYBR-SWLSCSKDSA-N 1 0 276.380 2.290 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)Cc1ccccc1Cl ZINC000038049385 174060556 /nfs/dbraw/zinc/06/05/56/174060556.db2.gz RTVSSEHVLZYKFY-OLZOCXBDSA-N 1 0 266.772 2.269 10 0 CEAERO CC[C@@H](C)[NH2+][C@](C)(C(N)=O)c1cc(C)ccc1OC ZINC000038065608 174077006 /nfs/dbraw/zinc/07/70/06/174077006.db2.gz ACORVHKKNNGZGT-ABAIWWIYSA-N 1 0 264.369 2.092 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH2+]C)c1ccccc1 ZINC000038085923 174097069 /nfs/dbraw/zinc/09/70/69/174097069.db2.gz IVTXYNMVQBFRHX-ZDUSSCGKSA-N 1 0 255.383 2.162 10 0 CEAERO C[C@H](C[NH2+]Cc1ccccc1N1CCCC1)N(C)C ZINC000038087594 174099793 /nfs/dbraw/zinc/09/97/93/174099793.db2.gz KJPHSBNSVKTQLA-CQSZACIVSA-N 1 0 261.413 2.327 10 0 CEAERO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COCc2ccco2)o1 ZINC000038097800 174111738 /nfs/dbraw/zinc/11/17/38/174111738.db2.gz NZDRCWATSFKIKY-QWHCGFSZSA-N 1 0 279.336 2.409 10 0 CEAERO Cc1cccc(-c2nc([C@H](C)N3CC[NH2+]CC3)no2)c1 ZINC000038526869 174144305 /nfs/dbraw/zinc/14/43/05/174144305.db2.gz LFXFXJCRXBYQSX-LBPRGKRZSA-N 1 0 272.352 2.011 10 0 CEAERO CCC[C@H]1CN(Cc2ccccc2C(=O)OC)CC[NH2+]1 ZINC000039952537 174177158 /nfs/dbraw/zinc/17/71/58/174177158.db2.gz FNJYRCYHZZBNJN-AWEZNQCLSA-N 1 0 276.380 2.047 10 0 CEAERO COC(=O)c1ccc(CN2CC[NH2+][C@H](CC(C)C)C2)cc1 ZINC000039952541 174177228 /nfs/dbraw/zinc/17/72/28/174177228.db2.gz LILPHBCZLUVCOF-MRXNPFEDSA-N 1 0 290.407 2.293 10 0 CEAERO Cc1ccc(C[NH2+]C[C@H](C(C)C)N2CCOCC2)cc1 ZINC000040165716 174197524 /nfs/dbraw/zinc/19/75/24/174197524.db2.gz BRQDKFFFUUAIGN-QGZVFWFLSA-N 1 0 276.424 2.441 10 0 CEAERO C[C@H]([NH2+][C@@H](C)[C@H]1C[C@@H]2CC[C@H]1C2)C(=O)N1CCCC1 ZINC000040177313 174202546 /nfs/dbraw/zinc/20/25/46/174202546.db2.gz FCAVOSMDMOVSPO-SBJFKYEJSA-N 1 0 264.413 2.412 10 0 CEAERO C[C@@H](NC(=O)[C@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000040429286 174259324 /nfs/dbraw/zinc/25/93/24/174259324.db2.gz VRTPCICMNQGBEY-BXKDBHETSA-N 1 0 252.745 2.269 10 0 CEAERO COc1ccc([C@H](C)[NH2+]C[C@@H](O)COC(C)C)cc1OC ZINC000040491055 174292611 /nfs/dbraw/zinc/29/26/11/174292611.db2.gz VSOOHOQFUFXNGM-GXTWGEPZSA-N 1 0 297.395 2.140 10 0 CEAERO CC[C@@H]([NH3+])c1cccc(S(=O)(=O)NCC(C)(C)C)c1 ZINC000040495037 174293869 /nfs/dbraw/zinc/29/38/69/174293869.db2.gz YYFVDZZVJLJLHH-CYBMUJFWSA-N 1 0 284.425 2.421 10 0 CEAERO O[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1-n1cccn1 ZINC000040495628 174294100 /nfs/dbraw/zinc/29/41/00/174294100.db2.gz RXYOPYKMMMSBNO-ZBFHGGJFSA-N 1 0 271.364 2.265 10 0 CEAERO O=C(Nc1cccc(O)c1)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000040495345 174294447 /nfs/dbraw/zinc/29/44/47/174294447.db2.gz YFZCHGOTKQIOLH-LEWSCRJBSA-N 1 0 260.337 2.251 10 0 CEAERO CCOc1cc(C[NH2+][C@H]2CCCN(CC)C2)ccc1O ZINC000040502043 174298372 /nfs/dbraw/zinc/29/83/72/174298372.db2.gz QXIPOYRKPZYSIO-AWEZNQCLSA-N 1 0 278.396 2.365 10 0 CEAERO CCCCOCC[NH2+][C@H](C)C(=O)N[C@@H](C)CCC ZINC000040507353 174303017 /nfs/dbraw/zinc/30/30/17/174303017.db2.gz IBSMDDQLCMEOMI-QWHCGFSZSA-N 1 0 258.406 2.086 10 0 CEAERO COC(=O)CCC[NH2+][C@@H](C)c1sc(C)nc1C ZINC000040518613 174307707 /nfs/dbraw/zinc/30/77/07/174307707.db2.gz ZYKQPJPUURTVQD-QMMMGPOBSA-N 1 0 256.371 2.364 10 0 CEAERO Cc1nc(C)c([C@H](C)[NH2+]CC(=O)N(C)C(C)C)s1 ZINC000040518877 174308664 /nfs/dbraw/zinc/30/86/64/174308664.db2.gz NNJCYSYOSXZMCQ-VIFPVBQESA-N 1 0 269.414 2.277 10 0 CEAERO CCOc1ccc([C@@H](CNC(C)=O)[NH+]2CCCC2)cc1 ZINC000040614533 174353493 /nfs/dbraw/zinc/35/34/93/174353493.db2.gz RGAHUCKRFNPKJJ-MRXNPFEDSA-N 1 0 276.380 2.358 10 0 CEAERO COc1ccc(CC(=O)NCC(C)(C)[NH+]2CCCC2)cc1 ZINC000040616095 174354146 /nfs/dbraw/zinc/35/41/46/174354146.db2.gz CAQGEHMRXOINOC-UHFFFAOYSA-N 1 0 290.407 2.228 10 0 CEAERO Cc1c(N)cc(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1F ZINC000040620518 174355217 /nfs/dbraw/zinc/35/52/17/174355217.db2.gz VLCAKQNELFBZKG-LBPRGKRZSA-N 1 0 293.386 2.176 10 0 CEAERO CCOC(=O)CC[NH2+]Cc1cc2c(s1)CCC2 ZINC000040627367 174357042 /nfs/dbraw/zinc/35/70/42/174357042.db2.gz JUYJECPQOIDKID-UHFFFAOYSA-N 1 0 253.367 2.280 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000040629965 174358039 /nfs/dbraw/zinc/35/80/39/174358039.db2.gz XOXGFEPYCKFRGK-KWQFWETISA-N 1 0 289.162 2.309 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2cccc(C(C)C)c2)C1 ZINC000040631291 174358371 /nfs/dbraw/zinc/35/83/71/174358371.db2.gz QUQFNSIAIINQRD-ZIAGYGMSSA-N 1 0 262.353 2.125 10 0 CEAERO C[C@@H]1CCC[C@@](C[NH2+]C[C@@H]2CCOC2)(N(C)C)C1 ZINC000040668418 174367763 /nfs/dbraw/zinc/36/77/63/174367763.db2.gz PXMPOCPSOKPNNL-QLFBSQMISA-N 1 0 254.418 2.123 10 0 CEAERO Cc1n[nH]cc1C[NH2+][C@H]1CCN(CCc2ccccc2)C1 ZINC000040671497 174369262 /nfs/dbraw/zinc/36/92/62/174369262.db2.gz ZCWVCHGSOFZWSP-KRWDZBQOSA-N 1 0 284.407 2.125 10 0 CEAERO Nc1cc(CN2CCC([NH+]3CCCCC3)CC2)ccc1O ZINC000040693595 174377328 /nfs/dbraw/zinc/37/73/28/174377328.db2.gz VGRIMUDQIRTZRB-UHFFFAOYSA-N 1 0 289.423 2.425 10 0 CEAERO CC(C)c1ccc(Nc2nc[nH+]c(NN)c2N)cc1 ZINC000040706195 174379767 /nfs/dbraw/zinc/37/97/67/174379767.db2.gz FNKSFFXDTZEKRS-UHFFFAOYSA-N 1 0 258.329 2.211 10 0 CEAERO CC(C)n1c2cccc(F)c2nc1[C@@H]([NH3+])CCO ZINC000040710367 174380738 /nfs/dbraw/zinc/38/07/38/174380738.db2.gz ULWMUKBNCJBKMC-JTQLQIEISA-N 1 0 251.305 2.139 10 0 CEAERO CC(C)n1c2ccc(F)cc2nc1[C@H]([NH3+])CCO ZINC000040710298 174380883 /nfs/dbraw/zinc/38/08/83/174380883.db2.gz LCFYDLMPTWSPBC-SNVBAGLBSA-N 1 0 251.305 2.139 10 0 CEAERO CN(C)c1cccc(Oc2ncccc2C(N)=[NH2+])c1 ZINC000040714612 174382442 /nfs/dbraw/zinc/38/24/42/174382442.db2.gz RNSZYNSDRSNOOB-UHFFFAOYSA-N 1 0 256.309 2.224 10 0 CEAERO Cc1ccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000040740852 174391070 /nfs/dbraw/zinc/39/10/70/174391070.db2.gz OUVFMUVPYDVEEE-PBWFPOADSA-N 1 0 259.353 2.400 10 0 CEAERO CCCN(C(=O)Cc1ccncc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747859 174393410 /nfs/dbraw/zinc/39/34/10/174393410.db2.gz XSYJOMCARYEMME-XYPWUTKMSA-N 1 0 287.407 2.146 10 0 CEAERO CCN(Cc1c(C)nn(C)c1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748345 174393450 /nfs/dbraw/zinc/39/34/50/174393450.db2.gz YYGAYRGBRVSWTG-FUNVUKJBSA-N 1 0 296.846 2.487 10 0 CEAERO C[C@H](CNC(=O)C1CCC([NH3+])CC1)c1ccccc1 ZINC000040857835 174424073 /nfs/dbraw/zinc/42/40/73/174424073.db2.gz CXGOBBFYXTXUIY-LRVUVFPRSA-N 1 0 260.381 2.424 10 0 CEAERO COc1ccc(C)cc1[C@@H]([NH3+])COC1CCOCC1 ZINC000040992677 174445878 /nfs/dbraw/zinc/44/58/78/174445878.db2.gz YQKJEMFAERKJGW-AWEZNQCLSA-N 1 0 265.353 2.199 10 0 CEAERO COC[C@@H]1CCCC[N@H+](C[C@@H]2CCC[C@@H](O)C2)C1 ZINC000660292225 414756749 /nfs/dbraw/zinc/75/67/49/414756749.db2.gz GJLRXMBNWLLROI-RBSFLKMASA-N 1 0 255.402 2.286 10 0 CEAERO [NH3+]C1(c2nc3cc4c(cc3[nH]2)OCCO4)CCCCC1 ZINC000041032719 174456165 /nfs/dbraw/zinc/45/61/65/174456165.db2.gz CWGROAXQIAZJOU-UHFFFAOYSA-N 1 0 273.336 2.452 10 0 CEAERO CC(C)([NH3+])c1cn(Cc2cc(-c3cccs3)on2)nn1 ZINC000070117899 414765152 /nfs/dbraw/zinc/76/51/52/414765152.db2.gz UPJCFTQREPOYKN-UHFFFAOYSA-N 1 0 289.364 2.237 10 0 CEAERO CC(C)c1ccc(CN2CC[C@H]3OCC[NH2+][C@@H]3C2)cc1 ZINC000404061567 414770682 /nfs/dbraw/zinc/77/06/82/414770682.db2.gz DFCNHXMNXGVCCG-IAGOWNOFSA-N 1 0 274.408 2.373 10 0 CEAERO C[C@@H]1C[C@H]([NH2+]CC[C@@]2(O)CCOC2)CC(C)(C)C1 ZINC000404163408 414772761 /nfs/dbraw/zinc/77/27/61/414772761.db2.gz ZUIMSLFPVSUZIO-VNHYZAJKSA-N 1 0 255.402 2.332 10 0 CEAERO CCOC(=O)c1cc(N)ccc1NC[C@H]1CC[N@H+](CC)C1 ZINC000041084200 174475694 /nfs/dbraw/zinc/47/56/94/174475694.db2.gz LIVWVOUGEQVBBQ-GFCCVEGCSA-N 1 0 291.395 2.199 10 0 CEAERO C[C@@H](OCc1ccccc1)C(=O)N1CCC(CC[NH3+])CC1 ZINC000404513034 414786124 /nfs/dbraw/zinc/78/61/24/414786124.db2.gz QSYYKFXOHJTFBX-CQSZACIVSA-N 1 0 290.407 2.179 10 0 CEAERO Cc1nn(C)c(C)c1-c1nc([C@]2([NH3+])CCC[C@@H](C)C2)no1 ZINC000041155162 174500088 /nfs/dbraw/zinc/50/00/88/174500088.db2.gz WPUJQGHRAFZZAW-PSLIRLAXSA-N 1 0 289.383 2.451 10 0 CEAERO Cc1ccc(Cl)c(OCC[NH2+]CCN(C)C)c1 ZINC000041327470 174524098 /nfs/dbraw/zinc/52/40/98/174524098.db2.gz LMZFBSPKUBKREU-UHFFFAOYSA-N 1 0 256.777 2.178 10 0 CEAERO O=C(CC[C@H]1CCC[NH2+]1)NC[C@@H]1CC2CCC1CC2 ZINC000400132191 414747625 /nfs/dbraw/zinc/74/76/25/414747625.db2.gz VNGCJUBQBYNYAN-PFSRBDOWSA-N 1 0 264.413 2.461 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@@H](C2CCC2)C1 ZINC000662920845 414801975 /nfs/dbraw/zinc/80/19/75/414801975.db2.gz ZCJVNXHQOSKTOR-ZNMIVQPWSA-N 1 0 264.413 2.400 10 0 CEAERO C[NH+](C)CCC(=O)NCC1(c2ccccc2)CCC1 ZINC000041536333 174566246 /nfs/dbraw/zinc/56/62/46/174566246.db2.gz MBEADUQFFNQXDB-UHFFFAOYSA-N 1 0 260.381 2.176 10 0 CEAERO Cc1ccsc1C(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662975042 414815653 /nfs/dbraw/zinc/81/56/53/414815653.db2.gz DRGKWWMTUNFPMU-SSDOTTSWSA-N 1 0 266.288 2.018 10 0 CEAERO CC1(C)CC[C@H]([NH2+]C[C@@H](O)COCc2ccco2)C1 ZINC000132423908 414820753 /nfs/dbraw/zinc/82/07/53/414820753.db2.gz FMZFOVIIMVCULK-QWHCGFSZSA-N 1 0 267.369 2.325 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1cnccc1C(F)(F)F ZINC000663001966 414824176 /nfs/dbraw/zinc/82/41/76/414824176.db2.gz MCXGGTMMRUZHRU-LDYMZIIASA-N 1 0 289.301 2.090 10 0 CEAERO CCc1ccc([C@@H](C)[NH2+][C@@H]2CCS(=O)(=O)C2)s1 ZINC000041671149 174600353 /nfs/dbraw/zinc/60/03/53/174600353.db2.gz LGZFAOFDJDBOAK-NXEZZACHSA-N 1 0 273.423 2.148 10 0 CEAERO CN(CC(=O)Nc1ccccc1Cl)c1cc[nH+]cc1N ZINC000042141488 174641628 /nfs/dbraw/zinc/64/16/28/174641628.db2.gz RJVPENZISZHZBK-UHFFFAOYSA-N 1 0 290.754 2.392 10 0 CEAERO c1[nH]c(C[C@@H]2CCC[NH2+]2)nc1-c1ccc2c(c1)OCO2 ZINC000042172791 174651845 /nfs/dbraw/zinc/65/18/45/174651845.db2.gz NOMIFYOCMPGPAP-NSHDSACASA-N 1 0 271.320 2.100 10 0 CEAERO COc1cc2nc([C@H]([NH3+])CCSC)[nH]c2cc1OC ZINC000042172977 174651929 /nfs/dbraw/zinc/65/19/29/174651929.db2.gz OUJVQXZFUFXVJP-MRVPVSSYSA-N 1 0 281.381 2.333 10 0 CEAERO COc1cccc(-c2c[nH]c(C[C@@H]3CCC[NH2+]3)n2)c1 ZINC000042172465 174651943 /nfs/dbraw/zinc/65/19/43/174651943.db2.gz HVTIINVRPQLQBG-LBPRGKRZSA-N 1 0 257.337 2.380 10 0 CEAERO c1cn(CC[NH2+]Cc2nc3ccccc3s2)cn1 ZINC000042213425 174658916 /nfs/dbraw/zinc/65/89/16/174658916.db2.gz IYWZDGHZBXJWDC-UHFFFAOYSA-N 1 0 258.350 2.283 10 0 CEAERO CCCCCC[C@H](C)[NH2+]C[C@H](O)COCCOCC ZINC000042258547 174667849 /nfs/dbraw/zinc/66/78/49/174667849.db2.gz ONVWENPKHKRNTN-GJZGRUSLSA-N 1 0 275.433 2.349 10 0 CEAERO CC1(C)CCC[C@H]([NH2+]C2CCN(CCO)CC2)CC1 ZINC000657351743 414876515 /nfs/dbraw/zinc/87/65/15/414876515.db2.gz OYKPNDUUUDGPPE-AWEZNQCLSA-N 1 0 268.445 2.392 10 0 CEAERO Cc1cnn(CC[NH2+]Cc2ccc(F)c(F)c2F)c1 ZINC000657351842 414877458 /nfs/dbraw/zinc/87/74/58/414877458.db2.gz APZHOGOGHGAQRG-UHFFFAOYSA-N 1 0 269.270 2.399 10 0 CEAERO CCn1nccc1[C@@H]1OCCC[C@H]1C[NH2+]Cc1cocn1 ZINC000657355147 414880308 /nfs/dbraw/zinc/88/03/08/414880308.db2.gz CUPDWKANNIGUDA-SWLSCSKDSA-N 1 0 290.367 2.149 10 0 CEAERO Cc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)cc1 ZINC000653056668 414889660 /nfs/dbraw/zinc/88/96/60/414889660.db2.gz UDTJZJMAPPEGHS-GHMZBOCLSA-N 1 0 272.270 2.331 10 0 CEAERO Cc1ccccc1CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653060480 414892303 /nfs/dbraw/zinc/89/23/03/414892303.db2.gz FOBDBDJGSNVTIG-VXGBXAGGSA-N 1 0 286.297 2.009 10 0 CEAERO C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC000657521580 414986358 /nfs/dbraw/zinc/98/63/58/414986358.db2.gz AQIRJGYYZCNEPI-DRPJVOAASA-N 1 0 272.392 2.437 10 0 CEAERO C[C@@H]1CC[C@H](C)N(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653446590 414996560 /nfs/dbraw/zinc/99/65/60/414996560.db2.gz MMIZLKXPJDNALU-LMLFDSFASA-N 1 0 278.318 2.031 10 0 CEAERO C[C@@H]1CCC[C@H](N(C)C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653446032 414997783 /nfs/dbraw/zinc/99/77/83/414997783.db2.gz LCBIYOYLSDXXQT-WRWGMCAJSA-N 1 0 292.345 2.421 10 0 CEAERO Cc1c(C[NH2+][C@@H]2CCc3ccc(O)cc32)cnn1C ZINC000657693020 415049617 /nfs/dbraw/zinc/04/96/17/415049617.db2.gz IDSSAJQYCPMBBN-OAHLLOKOSA-N 1 0 257.337 2.211 10 0 CEAERO COc1c(C)cnc(CN(C)CC[NH2+]C(C)C)c1C ZINC000042691132 174838881 /nfs/dbraw/zinc/83/88/81/174838881.db2.gz PNQZYLLLUCZODM-UHFFFAOYSA-N 1 0 265.401 2.137 10 0 CEAERO CCN(CCOc1cccc(C[NH3+])c1)CC(F)(F)F ZINC000042739691 174861176 /nfs/dbraw/zinc/86/11/76/174861176.db2.gz QTHMEFUKSGDNAY-UHFFFAOYSA-N 1 0 276.302 2.408 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccc(Cl)cc1)N1CCCC[C@@H]1C(N)=O ZINC000042946463 174921793 /nfs/dbraw/zinc/92/17/93/174921793.db2.gz DYJSDXRTEUECLT-LERXQTSPSA-N 1 0 295.814 2.068 10 0 CEAERO C[C@H]([NH3+])[C@@H](Sc1nc[nH]n1)c1ccccc1F ZINC000043049121 174957936 /nfs/dbraw/zinc/95/79/36/174957936.db2.gz HSYUKOMXLCCTOT-OIBJUYFYSA-N 1 0 252.318 2.124 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000043050541 174958350 /nfs/dbraw/zinc/95/83/50/174958350.db2.gz JCOMEPWNIUFBMQ-ZWNOBZJWSA-N 1 0 254.761 2.061 10 0 CEAERO COc1ccccc1[C@H]([C@@H](C)[NH3+])n1cc(Cl)cn1 ZINC000043098785 174966880 /nfs/dbraw/zinc/96/68/80/174966880.db2.gz GGTFDFYLIVENRA-RNCFNFMXSA-N 1 0 265.744 2.482 10 0 CEAERO C[C@H]([NH3+])[C@H](c1ccsc1)N(C)C[C@@H]1CCCO1 ZINC000043123339 174976739 /nfs/dbraw/zinc/97/67/39/174976739.db2.gz RHDUGQQRHZTSTA-WCFLWFBJSA-N 1 0 254.399 2.247 10 0 CEAERO Cc1ccc([C@H](OC[C@@H]2CCOC2)[C@H](C)[NH3+])s1 ZINC000043246034 174990673 /nfs/dbraw/zinc/99/06/73/174990673.db2.gz NYIKGKZOMURYEC-DMDPSCGWSA-N 1 0 255.383 2.498 10 0 CEAERO [NH3+][C@@H](c1ccccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000043299901 175000465 /nfs/dbraw/zinc/00/04/65/175000465.db2.gz PSMBNAWYTCOPES-LDYMZIIASA-N 1 0 293.310 2.140 10 0 CEAERO [NH3+][C@@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043299975 175001168 /nfs/dbraw/zinc/00/11/68/175001168.db2.gz NBZSYMMJUZUFBA-KWQFWETISA-N 1 0 294.203 2.428 10 0 CEAERO CC[NH2+][C@@H](c1ccc(CC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300949 175001477 /nfs/dbraw/zinc/00/14/77/175001477.db2.gz ZCDYQZDCYKUOOQ-CABCVRRESA-N 1 0 281.421 2.334 10 0 CEAERO CC[NH2+][C@H](c1cc(F)ccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000043300844 175001479 /nfs/dbraw/zinc/00/14/79/175001479.db2.gz NZNDIZALWDLGQX-ZANVPECISA-N 1 0 289.347 2.050 10 0 CEAERO COC1CCN([C@H](C[NH3+])c2cccc(C)c2C)CC1 ZINC000043314611 175004413 /nfs/dbraw/zinc/00/44/13/175004413.db2.gz YJKOBBTZBGRQDA-MRXNPFEDSA-N 1 0 262.397 2.414 10 0 CEAERO COCCN([C@@H](C[NH3+])c1cccc(C)c1C)[C@@H](C)COC ZINC000043315023 175004644 /nfs/dbraw/zinc/00/46/44/175004644.db2.gz KQFKOKYMNSULDJ-YOEHRIQHSA-N 1 0 294.439 2.287 10 0 CEAERO CC(=O)Nc1ccc(N[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000043326231 175007695 /nfs/dbraw/zinc/00/76/95/175007695.db2.gz ZWCUZARULOZOST-LLVKDONJSA-N 1 0 267.760 2.462 10 0 CEAERO c1ccc(-c2ncc(N[C@H]3CCC[NH2+]C3)cn2)cc1 ZINC000043326546 175008021 /nfs/dbraw/zinc/00/80/21/175008021.db2.gz MUFVWZNFZWUKTJ-ZDUSSCGKSA-N 1 0 254.337 2.308 10 0 CEAERO Clc1cccc(N[C@@H]2CCC[NH2+]C2)c1-n1cncn1 ZINC000043326609 175008181 /nfs/dbraw/zinc/00/81/81/175008181.db2.gz PDMOSYSKFMFURV-SNVBAGLBSA-N 1 0 277.759 2.085 10 0 CEAERO FC(F)(F)[C@H]1CCCC[C@H]1N[C@@H]1CCC[NH2+]C1 ZINC000043326674 175008325 /nfs/dbraw/zinc/00/83/25/175008325.db2.gz YPOXULRGTISFJA-OUAUKWLOSA-N 1 0 250.308 2.449 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Oc1ccc(C(N)=O)cc1)c1ccco1 ZINC000043337460 175012703 /nfs/dbraw/zinc/01/27/03/175012703.db2.gz JDXALGKUHMFKPM-OCCSQVGLSA-N 1 0 274.320 2.236 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccccn1)N(C)CCc1ccncc1 ZINC000043339601 175013824 /nfs/dbraw/zinc/01/38/24/175013824.db2.gz OCOGPYCCSCFSEF-CZUORRHYSA-N 1 0 270.380 2.039 10 0 CEAERO [NH3+]C[C@@H](c1ccccn1)N1CCC[C@@H]1c1ccncc1 ZINC000043339396 175013910 /nfs/dbraw/zinc/01/39/10/175013910.db2.gz ZJBGGPYMAMOANP-CVEARBPZSA-N 1 0 268.364 2.314 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccccn1)N(C)CCc1ccncc1 ZINC000043339605 175013978 /nfs/dbraw/zinc/01/39/78/175013978.db2.gz KEQBVOUPOINHEH-DOTOQJQBSA-N 1 0 284.407 2.430 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccccn1)n1cc(Cl)cn1 ZINC000043341458 175015395 /nfs/dbraw/zinc/01/53/95/175015395.db2.gz LLXDTTCYJNGARF-JQWIXIFHSA-N 1 0 250.733 2.258 10 0 CEAERO C[C@@H]([NH3+])[C@@H](OCc1ccc2c(c1)OCO2)c1ccccn1 ZINC000043342832 175015613 /nfs/dbraw/zinc/01/56/13/175015613.db2.gz IWHFQDIYIQJRKW-BDJLRTHQSA-N 1 0 286.331 2.415 10 0 CEAERO Cc1ncsc1CCO[C@@H](c1ccccn1)[C@@H](C)[NH3+] ZINC000043342937 175015744 /nfs/dbraw/zinc/01/57/44/175015744.db2.gz KYUAMFSHDCVISJ-QMTHXVAHSA-N 1 0 277.393 2.494 10 0 CEAERO C[C@@H]([NH3+])[C@@H](OC[C@@H]1CCCCO1)c1ccccn1 ZINC000043342868 175015843 /nfs/dbraw/zinc/01/58/43/175015843.db2.gz MWSWMKMUZGNACH-MBNYWOFBSA-N 1 0 250.342 2.056 10 0 CEAERO CN(C)c1cccc(O[C@@H](C[NH3+])c2ccccn2)c1 ZINC000043344003 175016269 /nfs/dbraw/zinc/01/62/69/175016269.db2.gz ZGFXFXNJXWCLIP-HNNXBMFYSA-N 1 0 257.337 2.226 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1cccnc1)N(C)CCc1ccccn1 ZINC000043345939 175016736 /nfs/dbraw/zinc/01/67/36/175016736.db2.gz NQOWNKNKLCPIRN-CZUORRHYSA-N 1 0 270.380 2.039 10 0 CEAERO [NH3+]C[C@@H](c1cccnc1)N1CCC[C@@H]1c1cccnc1 ZINC000043346683 175017502 /nfs/dbraw/zinc/01/75/02/175017502.db2.gz XXRIXJGPNRDDMI-CVEARBPZSA-N 1 0 268.364 2.314 10 0 CEAERO C[C@H]([NH3+])[C@H](c1cccnc1)N(C)CCc1ccncc1 ZINC000043347082 175017698 /nfs/dbraw/zinc/01/76/98/175017698.db2.gz GQLMYMVAWNWVFO-XJKSGUPXSA-N 1 0 270.380 2.039 10 0 CEAERO CCc1c(C)nn([C@@H](c2cccnc2)[C@@H](C)[NH3+])c1C ZINC000043348968 175019331 /nfs/dbraw/zinc/01/93/31/175019331.db2.gz SJMJQWWLODKBBU-MEBBXXQBSA-N 1 0 258.369 2.394 10 0 CEAERO CC[C@H]([NH3+])[C@@H](OC1CCOCC1)c1cccnc1 ZINC000043351476 175019865 /nfs/dbraw/zinc/01/98/65/175019865.db2.gz GXLMUNUUWXLHTN-KBPBESRZSA-N 1 0 250.342 2.056 10 0 CEAERO CCN(CC(F)(F)F)[C@H](c1ccncc1)[C@@H](C)[NH3+] ZINC000043354794 175022192 /nfs/dbraw/zinc/02/21/92/175022192.db2.gz WJVFOOROPJPRRA-KOLCDFICSA-N 1 0 261.291 2.354 10 0 CEAERO CC[C@H]([NH3+])[C@H](OC[C@@H]1CCCO1)c1ccncc1 ZINC000043355615 175023182 /nfs/dbraw/zinc/02/31/82/175023182.db2.gz RFFGBZQZGVQLGL-MELADBBJSA-N 1 0 250.342 2.056 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1nccn1C)c1ccncc1 ZINC000043356404 175023519 /nfs/dbraw/zinc/02/35/19/175023519.db2.gz UBSXJCBLEWCASJ-NWDGAFQWSA-N 1 0 262.382 2.386 10 0 CEAERO C[C@H]([NH3+])[C@@H](Sc1nncs1)c1ccncc1 ZINC000043363246 175023928 /nfs/dbraw/zinc/02/39/28/175023928.db2.gz GWNAHNWGWXTVIV-IONNQARKSA-N 1 0 252.368 2.114 10 0 CEAERO Cc1ccc([C@H]([C@@H](C)[NH3+])N(C)[C@@H]2CCSC2)o1 ZINC000043364091 175024692 /nfs/dbraw/zinc/02/46/92/175024692.db2.gz QTPMFVAMHOSKCS-WZRBSPASSA-N 1 0 254.399 2.414 10 0 CEAERO C[C@H]([NH3+])[C@@H](n1cc(Br)cn1)C(F)(F)F ZINC000043383083 175031340 /nfs/dbraw/zinc/03/13/40/175031340.db2.gz KJISDYOIHYNTLR-UJURSFKZSA-N 1 0 272.068 2.096 10 0 CEAERO COCCN(c1nc(C)ccc1C[NH3+])[C@H](C)C1CC1 ZINC000043396020 175036386 /nfs/dbraw/zinc/03/63/86/175036386.db2.gz SUQKUIYNHSIZIW-GFCCVEGCSA-N 1 0 263.385 2.100 10 0 CEAERO COCCOc1ccc2c(c1)OC(C)(C)C[C@H]2[NH3+] ZINC000043460067 175051177 /nfs/dbraw/zinc/05/11/77/175051177.db2.gz VLYVWQLDVNWABM-GFCCVEGCSA-N 1 0 251.326 2.273 10 0 CEAERO Cn1cc([C@@H]([NH3+])Cc2cccc(Br)c2)cn1 ZINC000043462225 175052221 /nfs/dbraw/zinc/05/22/21/175052221.db2.gz TWQITJRCMXLGAO-LBPRGKRZSA-N 1 0 280.169 2.425 10 0 CEAERO [NH3+]C[C@@H]1CCCN1Cc1cc(Br)cs1 ZINC000043687651 175094875 /nfs/dbraw/zinc/09/48/75/175094875.db2.gz QATTYZGYHJFPAL-VIFPVBQESA-N 1 0 275.215 2.434 10 0 CEAERO CC(C)(C)n1c2ccccc2nc1[C@@H]1C[NH2+]CCO1 ZINC000043705057 175099239 /nfs/dbraw/zinc/09/92/39/175099239.db2.gz ISNDJFVBDRGSGQ-ZDUSSCGKSA-N 1 0 259.353 2.452 10 0 CEAERO CC(C)n1c2ccc(F)cc2nc1[C@H]1C[NH2+]CCO1 ZINC000043705086 175099308 /nfs/dbraw/zinc/09/93/08/175099308.db2.gz LILCAVKEGSMUEG-CYBMUJFWSA-N 1 0 263.316 2.417 10 0 CEAERO CC[NH2+][C@H](CN(CC)CC)c1ccc2c(c1)OCCO2 ZINC000043809294 175109611 /nfs/dbraw/zinc/10/96/11/175109611.db2.gz QCZITSGEKQXBHF-CQSZACIVSA-N 1 0 278.396 2.450 10 0 CEAERO CCC[NH2+][C@H]1CCC2(C[C@@H]1N1CCCCC1)OCCO2 ZINC000043814525 175111808 /nfs/dbraw/zinc/11/18/08/175111808.db2.gz JHVWEHJUYPKKDC-GJZGRUSLSA-N 1 0 282.428 2.136 10 0 CEAERO CCC[NH2+][C@H]1CCC[C@H]1N(C)CCc1ccccn1 ZINC000043818914 175113971 /nfs/dbraw/zinc/11/39/71/175113971.db2.gz NLDXYYXTQNAOCL-JKSUJKDBSA-N 1 0 261.413 2.477 10 0 CEAERO C[NH2+][C@H](CN(C)C1CC1)c1ccc2c(c1)OCCCO2 ZINC000043822771 175114474 /nfs/dbraw/zinc/11/44/74/175114474.db2.gz WTOKWICHEKRRNF-CQSZACIVSA-N 1 0 276.380 2.203 10 0 CEAERO C[NH2+][C@@H](CN(C)C1CC1)c1ccc2c(c1)OCCCO2 ZINC000043822768 175114784 /nfs/dbraw/zinc/11/47/84/175114784.db2.gz WTOKWICHEKRRNF-AWEZNQCLSA-N 1 0 276.380 2.203 10 0 CEAERO C[NH2+][C@@H](CN(C)CC(C)C)c1ccc2c(c1)OCO2 ZINC000043886567 175116844 /nfs/dbraw/zinc/11/68/44/175116844.db2.gz CJRJHFKEZUREKZ-ZDUSSCGKSA-N 1 0 264.369 2.264 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2C[C@H]1N1CCC(OC)CC1 ZINC000043890217 175118019 /nfs/dbraw/zinc/11/80/19/175118019.db2.gz GPXRTFIERXWJGV-IAGOWNOFSA-N 1 0 274.408 2.373 10 0 CEAERO C[NH2+][C@@H](CN1CCOC[C@@H]1C)c1ccc(OC(C)C)cc1 ZINC000043891171 175118239 /nfs/dbraw/zinc/11/82/39/175118239.db2.gz FTBNHLFGNYAIEQ-YOEHRIQHSA-N 1 0 292.423 2.455 10 0 CEAERO C[NH2+][C@H]1c2ccccc2OC[C@@H]1N(C)Cc1cccnc1 ZINC000043893527 175118857 /nfs/dbraw/zinc/11/88/57/175118857.db2.gz YEOWMLDCEASUKL-RDJZCZTQSA-N 1 0 283.375 2.235 10 0 CEAERO CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N1CCOC[C@@H]1C ZINC000043891729 175118875 /nfs/dbraw/zinc/11/88/75/175118875.db2.gz MYJGKAJWRQGQSL-AJNGGQMLSA-N 1 0 254.418 2.264 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2OC[C@H]1N(C)Cc1ccncc1 ZINC000043893957 175119291 /nfs/dbraw/zinc/11/92/91/175119291.db2.gz QYLWRZWLSOLVTC-NVXWUHKLSA-N 1 0 283.375 2.235 10 0 CEAERO CC[NH2+][C@H]1CCC2(C[C@H]1N(C)C(CC)CC)OCCO2 ZINC000043896074 175119376 /nfs/dbraw/zinc/11/93/76/175119376.db2.gz BQTSUYDRHUTOJP-LSDHHAIUSA-N 1 0 284.444 2.381 10 0 CEAERO CC[NH2+][C@H](CN1CCOC(C)(C)C1)c1ccc(OC)cc1 ZINC000043897865 175120669 /nfs/dbraw/zinc/12/06/69/175120669.db2.gz YXSJBMGOSGZSTD-MRXNPFEDSA-N 1 0 292.423 2.457 10 0 CEAERO C[NH2+][C@H](c1ccc(OC)cc1)[C@H](C)N(C)C1CCOCC1 ZINC000043898226 175121009 /nfs/dbraw/zinc/12/10/09/175121009.db2.gz NIEITTJDYXMJLN-GUYCJALGSA-N 1 0 292.423 2.455 10 0 CEAERO CCOC1CCN([C@@H]2CCCCC[C@H]2[NH2+]C)CC1 ZINC000043906917 175122463 /nfs/dbraw/zinc/12/24/63/175122463.db2.gz ZSYZNJLOVUBNRS-HUUCEWRRSA-N 1 0 254.418 2.408 10 0 CEAERO CC[NH2+][C@@H]1CCOC[C@H]1N(C)Cc1cccc(C)c1 ZINC000043909970 175123105 /nfs/dbraw/zinc/12/31/05/175123105.db2.gz ISBZSNDHZSWNKC-HZPDHXFCSA-N 1 0 262.397 2.194 10 0 CEAERO CC[NH2+][C@H]1CCOC[C@H]1N(C)Cc1ccccc1F ZINC000043910771 175123152 /nfs/dbraw/zinc/12/31/52/175123152.db2.gz WTUXOHDTDGKMTO-LSDHHAIUSA-N 1 0 266.360 2.025 10 0 CEAERO CC[C@H]([C@@H]([NH2+]C)c1ccccc1)N(CCOC)CCOC ZINC000043912619 175124598 /nfs/dbraw/zinc/12/45/98/175124598.db2.gz NMMALRXACVVSDY-SJORKVTESA-N 1 0 294.439 2.321 10 0 CEAERO CC[C@@H]([C@@H]([NH2+]C)c1ccccc1)N(C)CCOC ZINC000043915576 175125136 /nfs/dbraw/zinc/12/51/36/175125136.db2.gz NAJQJODMXCLSKK-GJZGRUSLSA-N 1 0 250.386 2.304 10 0 CEAERO C[NH2+][C@@H](CN(C)CCOC)c1ccc(C)c(C)c1 ZINC000043915546 175125184 /nfs/dbraw/zinc/12/51/84/175125184.db2.gz QENKUPQDVWAGNJ-HNNXBMFYSA-N 1 0 250.386 2.142 10 0 CEAERO C[NH2+][C@@H]1CCCCCC[C@@H]1N(C)C[C@@H]1CCCO1 ZINC000043965802 175127331 /nfs/dbraw/zinc/12/73/31/175127331.db2.gz ZSFMCUNNJPGJIQ-ZNMIVQPWSA-N 1 0 254.418 2.408 10 0 CEAERO CCC[NH2+][C@H]1CCC[C@H]1N(CC)C[C@@H]1CCCO1 ZINC000043966912 175127833 /nfs/dbraw/zinc/12/78/33/175127833.db2.gz RQYSYQBHSLASBH-SOUVJXGZSA-N 1 0 254.418 2.408 10 0 CEAERO CCC[NH2+][C@@H]1CCCC[C@@H]1N(C)Cc1cnn(C)c1 ZINC000043967321 175128402 /nfs/dbraw/zinc/12/84/02/175128402.db2.gz PZTQQLOSSMHVQQ-CABCVRRESA-N 1 0 264.417 2.163 10 0 CEAERO C[C@@H](N[C@@H](C[NH+](C)C)c1ccccc1)c1cnn(C)c1 ZINC000044495151 175182731 /nfs/dbraw/zinc/18/27/31/175182731.db2.gz ZHPDAYUEZWVCGB-CJNGLKHVSA-N 1 0 272.396 2.374 10 0 CEAERO CN(C)C(=O)CCCOc1ccc2c(c1)CCC[C@@H]2[NH3+] ZINC000044732395 175240772 /nfs/dbraw/zinc/24/07/72/175240772.db2.gz DJRZSHOVEHWTCF-HNNXBMFYSA-N 1 0 276.380 2.270 10 0 CEAERO CCNC(=O)[C@H](C)Oc1ccc2c(c1)CCC[C@H]2[NH2+]C ZINC000044745308 175241557 /nfs/dbraw/zinc/24/15/57/175241557.db2.gz XKFMTETXZUJPQP-XHDPSFHLSA-N 1 0 276.380 2.187 10 0 CEAERO CCNC(=O)[C@H](C)Oc1ccc2c(c1)CCC[C@@H]2[NH2+]C ZINC000044745306 175241723 /nfs/dbraw/zinc/24/17/23/175241723.db2.gz XKFMTETXZUJPQP-NHYWBVRUSA-N 1 0 276.380 2.187 10 0 CEAERO CCC(CC)CN(CC)C(=O)C1(C[NH3+])CCOCC1 ZINC000044763381 175247645 /nfs/dbraw/zinc/24/76/45/175247645.db2.gz ZDLNDBDVXQXJES-UHFFFAOYSA-N 1 0 270.417 2.027 10 0 CEAERO CCC(CC)(C[NH3+])C(=O)N[C@@H](C)CCc1ccco1 ZINC000044763872 175247810 /nfs/dbraw/zinc/24/78/10/175247810.db2.gz LPAXDUZUDHMVJC-LBPRGKRZSA-N 1 0 266.385 2.482 10 0 CEAERO [NH3+]CC1(C(=O)N2C[C@H]3CC[C@@H]2C3)CCCCCC1 ZINC000044763912 175247821 /nfs/dbraw/zinc/24/78/21/175247821.db2.gz WFKSAGOTZAHITN-QWHCGFSZSA-N 1 0 250.386 2.297 10 0 CEAERO CCN(CC(F)(F)F)C(=O)C1(C[NH3+])CCCCC1 ZINC000044764237 175248274 /nfs/dbraw/zinc/24/82/74/175248274.db2.gz SMEDMSXHSWRULZ-UHFFFAOYSA-N 1 0 266.307 2.306 10 0 CEAERO [NH3+]CC1(C(=O)N(CC(F)(F)F)C2CC2)CCCC1 ZINC000044764256 175248300 /nfs/dbraw/zinc/24/83/00/175248300.db2.gz YCXPWRIJVLSRJS-UHFFFAOYSA-N 1 0 264.291 2.059 10 0 CEAERO [NH3+]CC1(C(=O)N2CCO[C@@H]3CCCC[C@H]32)CCCCC1 ZINC000044764347 175248506 /nfs/dbraw/zinc/24/85/06/175248506.db2.gz YQXRMPGLMGFRMU-ZIAGYGMSSA-N 1 0 280.412 2.066 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000044797226 175254835 /nfs/dbraw/zinc/25/48/35/175254835.db2.gz UYBMXDIDBPLFJX-MFORYBBRSA-N 1 0 250.386 2.056 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)N(C)Cc1ccc(OC)cc1 ZINC000044804091 175256113 /nfs/dbraw/zinc/25/61/13/175256113.db2.gz GPEDYYJAXAMSBF-ZDUSSCGKSA-N 1 0 264.369 2.029 10 0 CEAERO CCN(C(=O)C1CC[NH2+]CC1)c1cccc(F)c1 ZINC000044880533 175269525 /nfs/dbraw/zinc/26/95/25/175269525.db2.gz AYTMVVSLTVQSQF-UHFFFAOYSA-N 1 0 250.317 2.178 10 0 CEAERO CNC(=O)CC[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000044990306 175286116 /nfs/dbraw/zinc/28/61/16/175286116.db2.gz JKSFLDUYPKQRCX-AWEZNQCLSA-N 1 0 250.317 2.003 10 0 CEAERO CCC[NH2+][C@@H]1CCN(Cc2cc(C)no2)C[C@@H]1C ZINC000044994967 175287168 /nfs/dbraw/zinc/28/71/68/175287168.db2.gz IYUXDHIPDQPWNH-SMDDNHRTSA-N 1 0 251.374 2.193 10 0 CEAERO C[C@H](CNC1N=NC(=S)S1)[NH+]1CCCCC1 ZINC000045004941 175287573 /nfs/dbraw/zinc/28/75/73/175287573.db2.gz LOEHDDDAMULWPM-MRVPVSSYSA-N 1 0 258.416 2.113 10 0 CEAERO CCC1N=NC(=S)N1C[C@H](C)[NH+]1CCCCC1 ZINC000045005130 175288134 /nfs/dbraw/zinc/28/81/34/175288134.db2.gz JCIKEOWRCRDNIT-JTQLQIEISA-N 1 0 254.403 2.004 10 0 CEAERO Cc1ccc2c(c1)[nH+]c(N)n2Cc1ccnc(C)n1 ZINC000045005495 175288139 /nfs/dbraw/zinc/28/81/39/175288139.db2.gz LRSKKFQEVYSCPF-UHFFFAOYSA-N 1 0 253.309 2.074 10 0 CEAERO COC(=O)c1cc(NC[C@H](C)[NH+]2CCCCC2)ccc1N ZINC000045015608 175291027 /nfs/dbraw/zinc/29/10/27/175291027.db2.gz IGHCFNQOARPONB-LBPRGKRZSA-N 1 0 291.395 2.342 10 0 CEAERO Cc1nn(C)c(N(C)CC(C)(C)C)c1C[NH2+]C1CC1 ZINC000045085469 175303448 /nfs/dbraw/zinc/30/34/48/175303448.db2.gz XXSCYMVXQORLRQ-UHFFFAOYSA-N 1 0 264.417 2.463 10 0 CEAERO CC[NH2+][C@H]1CCN(CCOCCC(C)C)C[C@@H]1C ZINC000045107837 175307908 /nfs/dbraw/zinc/30/79/08/175307908.db2.gz XMNSSNIERFHRAM-GJZGRUSLSA-N 1 0 256.434 2.369 10 0 CEAERO CCC[C@@H](C)NC(=O)[C@H](C)[NH2+]CCOCCC(C)C ZINC000045106867 175307934 /nfs/dbraw/zinc/30/79/34/175307934.db2.gz YDTMAUNRCXAEIY-KGLIPLIRSA-N 1 0 272.433 2.332 10 0 CEAERO C[C@@H](CNc1c(C(N)=S)cnc2ccccc21)[NH+](C)C ZINC000045109782 175309213 /nfs/dbraw/zinc/30/92/13/175309213.db2.gz NXAVIDJXOXGKCZ-JTQLQIEISA-N 1 0 288.420 2.231 10 0 CEAERO Cn1ccnc1CCn1c(N)[nH+]c2cc(Cl)ccc21 ZINC000045136002 175313479 /nfs/dbraw/zinc/31/34/79/175313479.db2.gz DUWOSBXYCNMPKO-UHFFFAOYSA-N 1 0 275.743 2.248 10 0 CEAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N[C@H]2CC2(C)C)cc1 ZINC000045138392 175314559 /nfs/dbraw/zinc/31/45/59/175314559.db2.gz NHUCSTHDIUEJQJ-AWEZNQCLSA-N 1 0 296.436 2.261 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]CCCOC[C@H]1CCCO1 ZINC000045168616 175320137 /nfs/dbraw/zinc/32/01/37/175320137.db2.gz JYFYMCWHBLCNLL-IUODEOHRSA-N 1 0 295.427 2.273 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]CCCCn1ccnc1 ZINC000045172912 175322582 /nfs/dbraw/zinc/32/25/82/175322582.db2.gz BBVOYWHGRDGDOX-GFCCVEGCSA-N 1 0 275.400 2.364 10 0 CEAERO CCCC[N@H+](C)CC[C@](C)(NC(C)C)C(=O)OCC ZINC000045222230 175331042 /nfs/dbraw/zinc/33/10/42/175331042.db2.gz PKZHSZFOZDOJOA-HNNXBMFYSA-N 1 0 272.433 2.428 10 0 CEAERO CC[NH2+][C@@](C)(CC[NH+]1CCCCCCC1)C(=O)[O-] ZINC000045223719 175331234 /nfs/dbraw/zinc/33/12/34/175331234.db2.gz ORWMOJYBJXRPPR-AWEZNQCLSA-N 1 0 256.390 2.095 10 0 CEAERO CCCC[N@H+](CC)CC[C@](C)([NH2+]CCC)C(=O)[O-] ZINC000045223347 175331759 /nfs/dbraw/zinc/33/17/59/175331759.db2.gz MQLRPWXUSUKHEW-AWEZNQCLSA-N 1 0 258.406 2.341 10 0 CEAERO CC[N@H+](CC[C@](C)(NC)C(=O)OC)C1CCCCC1 ZINC000045224128 175331978 /nfs/dbraw/zinc/33/19/78/175331978.db2.gz XVMJGWZHEBKLNR-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CCOC(=O)[C@@](C)(N)CC[N@H+](CC)C1CCCCC1 ZINC000045224121 175332019 /nfs/dbraw/zinc/33/20/19/175332019.db2.gz QVQVHZKZFNSCPI-HNNXBMFYSA-N 1 0 270.417 2.312 10 0 CEAERO CC[N@H+](CC[C@@](C)(NC(C)C)C(N)=O)C1CCCCC1 ZINC000045224170 175332354 /nfs/dbraw/zinc/33/23/54/175332354.db2.gz PIPXPTCSAXEUQU-MRXNPFEDSA-N 1 0 283.460 2.273 10 0 CEAERO CCN[C@](C[NH+]1CCCCC1)(C(=O)OC)c1ccccc1 ZINC000045229815 175334409 /nfs/dbraw/zinc/33/44/09/175334409.db2.gz DVDVKEHMOYTTJT-KRWDZBQOSA-N 1 0 290.407 2.150 10 0 CEAERO CCOC(=O)[C@](C)(CC[NH+]1[C@@H](C)CCC[C@@H]1C)NC ZINC000045231912 175335420 /nfs/dbraw/zinc/33/54/20/175335420.db2.gz VXZJKTWKOBQCBI-YDHLFZDLSA-N 1 0 270.417 2.181 10 0 CEAERO CCOC(=O)[C@@](C)(C[N@H+]1[C@H](C)CCC[C@@H]1C)NC1CC1 ZINC000045231835 175335707 /nfs/dbraw/zinc/33/57/07/175335707.db2.gz SEMORHGQILERNZ-DVOMOZLQSA-N 1 0 282.428 2.323 10 0 CEAERO CCCC[NH+](CCCC)C[C@@](C)(NC(C)C)C(N)=O ZINC000045232737 175336122 /nfs/dbraw/zinc/33/61/22/175336122.db2.gz WBBURJAVNWKWTC-OAHLLOKOSA-N 1 0 271.449 2.131 10 0 CEAERO CCCN[C@@](C)(CC[N@H+](CC)CC(C)C)C(=O)OC ZINC000045264217 175337710 /nfs/dbraw/zinc/33/77/10/175337710.db2.gz VWGQONVKCZCZCT-HNNXBMFYSA-N 1 0 272.433 2.286 10 0 CEAERO CCCN[C@](C)(C[N@H+](CCC)C(C)C)C(=O)OC ZINC000045266805 175338917 /nfs/dbraw/zinc/33/89/17/175338917.db2.gz YTXHPXDNUAWWFI-CQSZACIVSA-N 1 0 258.406 2.038 10 0 CEAERO CCN[C@@](C[N@H+](CC)[C@@H](C)CC)(C(N)=O)c1ccccc1 ZINC000045266365 175339083 /nfs/dbraw/zinc/33/90/83/175339083.db2.gz BQJVESWBFUHMLK-WMLDXEAASA-N 1 0 291.439 2.097 10 0 CEAERO CCOC(=O)[C@](C)(C[N@H+](C)[C@@H](C)C(C)C)NC1CC1 ZINC000045269889 175341161 /nfs/dbraw/zinc/34/11/61/175341161.db2.gz UHOFVIYFAQWZFO-WFASDCNBSA-N 1 0 270.417 2.037 10 0 CEAERO CCCN[C@@](C)(CC[N@H+](C)C(CC)CC)C(=O)OC ZINC000045269733 175341706 /nfs/dbraw/zinc/34/17/06/175341706.db2.gz DHXVPUGTBSAVRY-HNNXBMFYSA-N 1 0 272.433 2.428 10 0 CEAERO CCCN[C@@](C)(C[N@H+](C)[C@@H](C)CCC)C(=O)OCC ZINC000045271116 175342086 /nfs/dbraw/zinc/34/20/86/175342086.db2.gz BNORATWTTHFWNT-ZFWWWQNUSA-N 1 0 272.433 2.428 10 0 CEAERO COC(=O)[C@](C)(C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)NC1CC1 ZINC000045272109 175343536 /nfs/dbraw/zinc/34/35/36/175343536.db2.gz USSTUCDUULCDNY-VBQJREDUSA-N 1 0 294.439 2.182 10 0 CEAERO CCN[C@](C)(CC[N@H+](C)[C@@H](C)C(C)(C)C)C(=O)OC ZINC000045274819 175345046 /nfs/dbraw/zinc/34/50/46/175345046.db2.gz ITNAVIDLWOMNJG-SWLSCSKDSA-N 1 0 272.433 2.284 10 0 CEAERO CCC[N@H+](CC[C@@](C)([NH2+]C1CC1)C(=O)[O-])CC1CC1 ZINC000045276882 175346296 /nfs/dbraw/zinc/34/62/96/175346296.db2.gz QHWDRBSZYQXWIT-OAHLLOKOSA-N 1 0 268.401 2.094 10 0 CEAERO CC(C)C[N@H+](CC[C@@](C)([NH2+]C1CC1)C(=O)[O-])C1CC1 ZINC000045277537 175347360 /nfs/dbraw/zinc/34/73/60/175347360.db2.gz YCZRWLRXOAEXAQ-OAHLLOKOSA-N 1 0 268.401 2.092 10 0 CEAERO CC(C)N[C@@](C)(CC[N@@H+]1CCC[C@@H]1C1CCCC1)C(N)=O ZINC000045277431 175347556 /nfs/dbraw/zinc/34/75/56/175347556.db2.gz OPMICMRMIHBOII-WBVHZDCISA-N 1 0 295.471 2.273 10 0 CEAERO C[NH2+][C@@](C)(CC[N@@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000045277390 175347761 /nfs/dbraw/zinc/34/77/61/175347761.db2.gz BSPOIKVXWQYPHX-HIFRSBDPSA-N 1 0 268.401 2.094 10 0 CEAERO CCC(CC)C[N@H+](CC)CC[C@@](C)(NC(C)C)C(N)=O ZINC000045277860 175348720 /nfs/dbraw/zinc/34/87/20/175348720.db2.gz ALEIUTNRVHNKDS-MRXNPFEDSA-N 1 0 285.476 2.377 10 0 CEAERO CCOC(=O)[C@](C)(CC[N@H+](C)CC(C)(C)C)NC1CC1 ZINC000045279400 175350052 /nfs/dbraw/zinc/35/00/52/175350052.db2.gz KABGCLBSXMCAFI-INIZCTEOSA-N 1 0 284.444 2.428 10 0 CEAERO COC(=O)[C@](C)(C[N@H+](C)C1CCC(C)CC1)NC(C)C ZINC000045280551 175350222 /nfs/dbraw/zinc/35/02/22/175350222.db2.gz PLPSGKHYGKUQJZ-XUJLQICISA-N 1 0 284.444 2.427 10 0 CEAERO CCOC(=O)[C@](C)(C[N@H+](C)C1CCC(C)CC1)NC ZINC000045280529 175350293 /nfs/dbraw/zinc/35/02/93/175350293.db2.gz MYTNLVFMPUVSSU-PIMMBPRGSA-N 1 0 270.417 2.038 10 0 CEAERO COC(=O)[C@](C)(C[N@H+](C)[C@@H](C)CC(C)C)NC1CC1 ZINC000045279977 175350499 /nfs/dbraw/zinc/35/04/99/175350499.db2.gz QQRLXEDHNBCFNQ-WFASDCNBSA-N 1 0 270.417 2.037 10 0 CEAERO CCN[C@](C)(C[N@H+](C)CC1CCCCC1)C(=O)OCC ZINC000045281561 175352867 /nfs/dbraw/zinc/35/28/67/175352867.db2.gz KQDSHZYTGDJJRF-MRXNPFEDSA-N 1 0 284.444 2.430 10 0 CEAERO CCC[NH2+][C@](C)(CCC[NH+]1CCC(C)CC1)C(=O)[O-] ZINC000045374892 175365835 /nfs/dbraw/zinc/36/58/35/175365835.db2.gz GSGOSEANIYKJRV-OAHLLOKOSA-N 1 0 270.417 2.341 10 0 CEAERO COC(=O)[C@](C)(CCCC[N@H+](C)C(C)C)NC1CC1 ZINC000045378009 175367538 /nfs/dbraw/zinc/36/75/38/175367538.db2.gz QEIHCTPZWSASLC-HNNXBMFYSA-N 1 0 270.417 2.181 10 0 CEAERO CCC[NH+](CCC)CCC[C@](C)(NC)C(=O)OCC ZINC000045378600 175367636 /nfs/dbraw/zinc/36/76/36/175367636.db2.gz YAEXVJADBVIDHP-HNNXBMFYSA-N 1 0 272.433 2.430 10 0 CEAERO CCN[C@](C)(CCCC[N@H+](C)CC(C)C)C(=O)OC ZINC000045380861 175369905 /nfs/dbraw/zinc/36/99/05/175369905.db2.gz CUMLESOZLSWXSE-OAHLLOKOSA-N 1 0 272.433 2.286 10 0 CEAERO CCC[N@H+](C)CCCC[C@](C)(NC(C)C)C(=O)OC ZINC000045382217 175371247 /nfs/dbraw/zinc/37/12/47/175371247.db2.gz GGNPRCLGSRQQMR-HNNXBMFYSA-N 1 0 272.433 2.428 10 0 CEAERO CN[C@@](C)(CCCC[N@H+](C)[C@@H](C)C(C)C)C(=O)OC ZINC000045391959 175375516 /nfs/dbraw/zinc/37/55/16/175375516.db2.gz ZVWCHLWCNCBYFH-ZFWWWQNUSA-N 1 0 272.433 2.284 10 0 CEAERO CCCN(CCC[C@@](C)([NH3+])C(=O)OCC)CC(F)(F)F ZINC000045420828 175379110 /nfs/dbraw/zinc/37/91/10/175379110.db2.gz VCYQDAHSKDKDET-GFCCVEGCSA-N 1 0 298.349 2.321 10 0 CEAERO C[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1cccc(F)c1F ZINC000658241648 415273435 /nfs/dbraw/zinc/27/34/35/415273435.db2.gz YNOGDCAQHLEBMY-VHSXEESVSA-N 1 0 268.307 2.094 10 0 CEAERO CC[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1cccs1 ZINC000658243660 415279383 /nfs/dbraw/zinc/27/93/83/415279383.db2.gz FOLMJHKFFIANHG-QWRGUYRKSA-N 1 0 252.383 2.267 10 0 CEAERO Cc1cc([C@H](C)[NH2+]C[C@@H]2CC(=O)N(C)C2)c(C)s1 ZINC000658244921 415280862 /nfs/dbraw/zinc/28/08/62/415280862.db2.gz NXUVEEYAUUSFLN-JQWIXIFHSA-N 1 0 266.410 2.494 10 0 CEAERO COc1cc([C@@H]2CC[NH2+][C@H]2C)cc(OC)c1OC ZINC000051954121 175528832 /nfs/dbraw/zinc/52/88/32/175528832.db2.gz BRKIPIFIUODYOQ-GXSJLCMTSA-N 1 0 251.326 2.178 10 0 CEAERO C[C@H](NC(=O)[C@H]1CCC[NH2+]C1)C1CCC(F)(F)CC1 ZINC000655525656 415327497 /nfs/dbraw/zinc/32/74/97/415327497.db2.gz JZYDTQINAATNHO-JQWIXIFHSA-N 1 0 274.355 2.316 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@H](C)C1CCC(F)(F)CC1 ZINC000655526394 415327722 /nfs/dbraw/zinc/32/77/22/415327722.db2.gz PTSKQTVXLPERQJ-KOLCDFICSA-N 1 0 262.344 2.444 10 0 CEAERO C[C@H]([NH2+]C1CC(CO)C1)c1ccc(Br)cn1 ZINC000658352364 415333055 /nfs/dbraw/zinc/33/30/55/415333055.db2.gz FOAIYTKLFSWXHI-SILCLGDVSA-N 1 0 285.185 2.266 10 0 CEAERO CC(C)(C)OC(=O)N[C@H]1C[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000068575187 175810954 /nfs/dbraw/zinc/81/09/54/175810954.db2.gz ZLFBUCKGGYNPOM-OLZOCXBDSA-N 1 0 280.343 2.406 10 0 CEAERO O=C(NC1CCC(C2CCC2)CC1)[C@H]1CC[NH2+]C1 ZINC000659387389 415557793 /nfs/dbraw/zinc/55/77/93/415557793.db2.gz ZLINKPYBWBPPNZ-MOKVOYLWSA-N 1 0 250.386 2.071 10 0 CEAERO C[C@H]1CCC[C@@](C[NH3+])(NC(=O)[C@@H]2COc3ccccc32)C1 ZINC000070393867 175908393 /nfs/dbraw/zinc/90/83/93/175908393.db2.gz DWTYPPKKZCBPAZ-DXCKQFNASA-N 1 0 288.391 2.186 10 0 CEAERO CC[C@@](C)([NH3+])c1noc([C@@H]2COc3ccccc32)n1 ZINC000070393354 175908431 /nfs/dbraw/zinc/90/84/31/175908431.db2.gz LHBCAMRKGAUOSC-QMTHXVAHSA-N 1 0 259.309 2.178 10 0 CEAERO Nc1ncccc1C[C@@H]([NH3+])Cc1ccc(Cl)cc1 ZINC000070407046 175913119 /nfs/dbraw/zinc/91/31/19/175913119.db2.gz DMGVWEKMEVCBMN-ZDUSSCGKSA-N 1 0 261.756 2.430 10 0 CEAERO [NH3+]Cc1cccc(-c2nc([C@@H]3C[C@H]4CC[C@@H]3O4)no2)c1 ZINC000070427619 175923376 /nfs/dbraw/zinc/92/33/76/175923376.db2.gz AHACDDMEDZHYGM-UPJWGTAASA-N 1 0 271.320 2.230 10 0 CEAERO Cc1cc(N2CC[C@@H]([NH3+])C2)nc(-c2ccccc2F)n1 ZINC000070455830 175940327 /nfs/dbraw/zinc/94/03/27/175940327.db2.gz LTTLJGXANAKHQL-LLVKDONJSA-N 1 0 272.327 2.129 10 0 CEAERO [NH3+]Cc1ccc([C@@H](O)Cn2cc(C(F)(F)F)cn2)cc1 ZINC000070466133 175946269 /nfs/dbraw/zinc/94/62/69/175946269.db2.gz RSYUGKYJZNMHFI-LBPRGKRZSA-N 1 0 285.269 2.094 10 0 CEAERO Cc1cc[nH+]c(NC[C@H]2Cc3ccccc3O2)c1N ZINC000070496762 175957352 /nfs/dbraw/zinc/95/73/52/175957352.db2.gz VQUMPAJZYOGQOJ-GFCCVEGCSA-N 1 0 255.321 2.388 10 0 CEAERO C[C@](CO)(CCn1cc(-c2ccccc2)cn1)[NH2+]C1CC1 ZINC000070515707 175964547 /nfs/dbraw/zinc/96/45/47/175964547.db2.gz OWOXANKYSIHFOK-QGZVFWFLSA-N 1 0 285.391 2.443 10 0 CEAERO CN(C)c1cccc(OCC[C@@](C)(CO)[NH2+]C2CC2)c1 ZINC000070516826 175965598 /nfs/dbraw/zinc/96/55/98/175965598.db2.gz AUWGZFZWTGLMBU-INIZCTEOSA-N 1 0 278.396 2.025 10 0 CEAERO CC[NH2+]C[C@@H](C)CN1c2ccc(CC)cc2C(=O)C1=O ZINC000070527547 175971696 /nfs/dbraw/zinc/97/16/96/175971696.db2.gz UEQVXVXPTQKNLI-LLVKDONJSA-N 1 0 274.364 2.024 10 0 CEAERO [NH3+]C[C@H]1CCO[C@@H]1c1ccc(Br)cc1 ZINC000070674094 176000719 /nfs/dbraw/zinc/00/07/19/176000719.db2.gz CUYDADFBOQGJQN-MWLCHTKSSA-N 1 0 256.143 2.485 10 0 CEAERO CC(C)N(CC(F)(F)F)c1nc(C[NH3+])cs1 ZINC000070682270 176001622 /nfs/dbraw/zinc/00/16/22/176001622.db2.gz HNNDHROSEYYOFM-UHFFFAOYSA-N 1 0 253.293 2.379 10 0 CEAERO [NH3+]Cc1ccnn1Cc1ccc(F)cc1Br ZINC000070708279 176002424 /nfs/dbraw/zinc/00/24/24/176002424.db2.gz HMURTXVKMWEXJB-UHFFFAOYSA-N 1 0 284.132 2.292 10 0 CEAERO CN(Cc1nc(Cl)ccc1Cl)[C@H]1CC[NH2+]C1 ZINC000070896128 176010614 /nfs/dbraw/zinc/01/06/14/176010614.db2.gz APCZZNRFHLEQER-QMMMGPOBSA-N 1 0 260.168 2.182 10 0 CEAERO Cc1ccc(F)cc1C(=O)N(CC[NH3+])C1CCCC1 ZINC000070943681 176016287 /nfs/dbraw/zinc/01/62/87/176016287.db2.gz KNHAWYAXXHTAEL-UHFFFAOYSA-N 1 0 264.344 2.478 10 0 CEAERO COc1ccc([C@H]2[C@H]([NH3+])CCC(=O)N2C2CC2)cc1C ZINC000070987196 176018580 /nfs/dbraw/zinc/01/85/80/176018580.db2.gz GGNUNVJEUGHNOF-CJNGLKHVSA-N 1 0 274.364 2.157 10 0 CEAERO CCc1ccccc1[C@H]1[C@@H]([NH3+])CCC(=O)N1C1CC1 ZINC000070987080 176018749 /nfs/dbraw/zinc/01/87/49/176018749.db2.gz OLGYAJLSEGBEBM-HOCLYGCPSA-N 1 0 258.365 2.402 10 0 CEAERO CCC[NH2+][C@H]1CCCN(Cc2ccc(F)cc2)C1=O ZINC000071033384 176023382 /nfs/dbraw/zinc/02/33/82/176023382.db2.gz NVFXBBFKQNATTA-AWEZNQCLSA-N 1 0 264.344 2.316 10 0 CEAERO Cc1ccc(CN2CCC[C@H]([NH2+]C(C)C)C2=O)cc1 ZINC000071033084 176023822 /nfs/dbraw/zinc/02/38/22/176023822.db2.gz KNUCEIGJKJMMEM-HNNXBMFYSA-N 1 0 260.381 2.484 10 0 CEAERO C[NH2+][C@@H]1CCCN([C@@H](C)c2sc(C)nc2C)C1=O ZINC000071036215 176025203 /nfs/dbraw/zinc/02/52/03/176025203.db2.gz JULPARKQOQTTFU-GXSJLCMTSA-N 1 0 267.398 2.031 10 0 CEAERO CSc1ccc(N2CC[C@H]([NH2+]C3CC3)C2=O)cc1 ZINC000071037947 176026323 /nfs/dbraw/zinc/02/63/23/176026323.db2.gz CPAFMVLXSUSRER-ZDUSSCGKSA-N 1 0 262.378 2.266 10 0 CEAERO C[NH2+][C@@H]1CCCN(Cc2ccccc2Br)C1=O ZINC000071037518 176026384 /nfs/dbraw/zinc/02/63/84/176026384.db2.gz OGYBPKUWCVJTOD-GFCCVEGCSA-N 1 0 297.196 2.160 10 0 CEAERO CCOc1ccccc1N1CC[C@@H]([NH2+]C(C)C)C1=O ZINC000071038141 176026528 /nfs/dbraw/zinc/02/65/28/176026528.db2.gz CJVPHNBIPSRTNV-GFCCVEGCSA-N 1 0 262.353 2.189 10 0 CEAERO CC(C)[NH2+][C@@H]1CCCN([C@@H](C)c2ccncc2)C1=O ZINC000071040171 176027601 /nfs/dbraw/zinc/02/76/01/176027601.db2.gz NCTHRBXBLSTGSB-GXTWGEPZSA-N 1 0 261.369 2.132 10 0 CEAERO CC[NH2+][C@H]1CCCN(c2ccc3ncccc3c2)C1=O ZINC000071042575 176028637 /nfs/dbraw/zinc/02/86/37/176028637.db2.gz WCDDGBBRPRTXQA-HNNXBMFYSA-N 1 0 269.348 2.340 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCCN1[C@H]1CCOc2ccccc21 ZINC000071043276 176029134 /nfs/dbraw/zinc/02/91/34/176029134.db2.gz HOOOMIAMXBDNSD-CABCVRRESA-N 1 0 286.375 2.253 10 0 CEAERO CCC[NH2+]CCN(C)C[C@H]1OCCc2ccccc21 ZINC000071091626 176031740 /nfs/dbraw/zinc/03/17/40/176031740.db2.gz BNXOIFHUEFOFKD-MRXNPFEDSA-N 1 0 262.397 2.232 10 0 CEAERO C[C@H]([NH3+])Cc1nccn1C[C@@H]1OCCc2ccccc21 ZINC000071099240 176033228 /nfs/dbraw/zinc/03/32/28/176033228.db2.gz JPUCSVTXMAMGGX-WFASDCNBSA-N 1 0 271.364 2.087 10 0 CEAERO CC[NH2+][C@@](CO[C@H]1CCC[C@@H](CC)C1)(C(N)=O)C1CC1 ZINC000071133952 176035837 /nfs/dbraw/zinc/03/58/37/176035837.db2.gz ASAWZAZRCMHOFZ-IVMMDQJWSA-N 1 0 282.428 2.215 10 0 CEAERO C[NH2+]C[C@H]1CCN([C@@H](C)c2ccc(OC)c(F)c2)C1 ZINC000071142340 176040087 /nfs/dbraw/zinc/04/00/87/176040087.db2.gz RSPFRQAOETUSEF-NWDGAFQWSA-N 1 0 266.360 2.437 10 0 CEAERO CC[C@@H]1CCCC[C@]1(C[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000071161474 176045982 /nfs/dbraw/zinc/04/59/82/176045982.db2.gz XFPSLLVWCQRCLS-LXTVHRRPSA-N 1 0 254.418 2.393 10 0 CEAERO COc1ccc(C[C@@](C)(C[NH3+])N2CCOC(C)(C)C2)cc1 ZINC000071169144 176049826 /nfs/dbraw/zinc/04/98/26/176049826.db2.gz JYDXLOMTYHPJCY-KRWDZBQOSA-N 1 0 292.423 2.066 10 0 CEAERO CCn1cc(C[C@@](C)([NH3+])Cc2ccc(OC)cc2)cn1 ZINC000071169460 176050366 /nfs/dbraw/zinc/05/03/66/176050366.db2.gz RJPHAHNYZYUHNK-INIZCTEOSA-N 1 0 273.380 2.414 10 0 CEAERO CC[NH+](CC)CCOc1nnc(Cl)c(C)c1C ZINC000071170885 176051603 /nfs/dbraw/zinc/05/16/03/176051603.db2.gz KZSALXDXURKSNK-UHFFFAOYSA-N 1 0 257.765 2.467 10 0 CEAERO CCOc1ccc(Nc2cncc(OC)n2)cc1C[NH3+] ZINC000071177472 176055144 /nfs/dbraw/zinc/05/51/44/176055144.db2.gz DKWQNUBLIZQBON-UHFFFAOYSA-N 1 0 274.324 2.086 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(C)cc1O[C@@H]1CCN(C)C1=O ZINC000071183258 176058685 /nfs/dbraw/zinc/05/86/85/176058685.db2.gz ISXOFYYOMARQAL-GXTWGEPZSA-N 1 0 276.380 2.275 10 0 CEAERO Cc1ccc(C(=O)CN(C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071189813 176065520 /nfs/dbraw/zinc/06/55/20/176065520.db2.gz NKOLUQAEMXFGKN-CQSZACIVSA-N 1 0 260.381 2.061 10 0 CEAERO CN(C[C@H]1CC[N@H+](C)C1)c1nc2ccccc2cc1CO ZINC000071189635 176065941 /nfs/dbraw/zinc/06/59/41/176065941.db2.gz RMIOVCPWNWZQCX-ZDUSSCGKSA-N 1 0 285.391 2.115 10 0 CEAERO COc1ccc(CN2CC[C@H]([NH2+]C3CC3)C2)cc1OC ZINC000071199116 176077254 /nfs/dbraw/zinc/07/72/54/176077254.db2.gz KZBALOTVAUWEHB-AWEZNQCLSA-N 1 0 276.380 2.030 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN(CCc2ccccc2F)C1 ZINC000071198510 176077291 /nfs/dbraw/zinc/07/72/91/176077291.db2.gz JJKGDEDAZGTAEA-CQSZACIVSA-N 1 0 250.361 2.441 10 0 CEAERO COc1nc(N(C)C)sc1C[NH2+][C@@H]1CCC[C@@H]1C ZINC000071206401 176080202 /nfs/dbraw/zinc/08/02/02/176080202.db2.gz ILBFCSMBMFZPOG-VHSXEESVSA-N 1 0 269.414 2.496 10 0 CEAERO C[C@H](Cc1cccs1)[NH2+]C[C@@H](O)COC(C)(C)C ZINC000071270590 176103939 /nfs/dbraw/zinc/10/39/39/176103939.db2.gz DLBWTTQJBXMJLI-VXGBXAGGSA-N 1 0 271.426 2.445 10 0 CEAERO CCOC(=O)CCCCC[NH2+]CCN(C)C(C)C ZINC000071297328 176111993 /nfs/dbraw/zinc/11/19/93/176111993.db2.gz SKVALYXDSQINDG-UHFFFAOYSA-N 1 0 258.406 2.040 10 0 CEAERO O[C@H](C[NH2+]Cc1ccccc1N1CCCC1)C1CC1 ZINC000071301711 176114288 /nfs/dbraw/zinc/11/42/88/176114288.db2.gz DWOCANZJGJKHIT-MRXNPFEDSA-N 1 0 260.381 2.147 10 0 CEAERO CN(Cc1noc(-c2ccccc2Cl)n1)[C@@H]1CC[NH2+]C1 ZINC000071310888 176117981 /nfs/dbraw/zinc/11/79/81/176117981.db2.gz PWPKCSRLZWYHCU-SNVBAGLBSA-N 1 0 292.770 2.184 10 0 CEAERO CCN(C(=O)c1cccc2cccnc21)[C@H]1CC[NH2+]C1 ZINC000071312472 176119173 /nfs/dbraw/zinc/11/91/73/176119173.db2.gz DIKQAUFDDDYICG-ZDUSSCGKSA-N 1 0 269.348 2.059 10 0 CEAERO CCN(Cc1noc(-c2ccc(C)cc2)n1)[C@H]1CC[NH2+]C1 ZINC000071313115 176119664 /nfs/dbraw/zinc/11/96/64/176119664.db2.gz PMBOBMKGEUAWJL-AWEZNQCLSA-N 1 0 286.379 2.229 10 0 CEAERO CCN(Cc1ncc(C(C)(C)C)o1)[C@@H]1CC[NH2+]C1 ZINC000071313572 176120144 /nfs/dbraw/zinc/12/01/44/176120144.db2.gz AALDTYLAMVSNFH-LLVKDONJSA-N 1 0 251.374 2.156 10 0 CEAERO CC(C)c1ccc([C@@H](O)C[NH2+]Cc2ccnn2C)cc1 ZINC000071334262 176126698 /nfs/dbraw/zinc/12/66/98/176126698.db2.gz HINZUUZOFRWOQJ-INIZCTEOSA-N 1 0 273.380 2.367 10 0 CEAERO CCOc1ccc(C(=O)NC[C@H]2[NH2+]CCC[C@@H]2C)cc1 ZINC000071338582 176129069 /nfs/dbraw/zinc/12/90/69/176129069.db2.gz WPWKTMMVSVZWGK-SWLSCSKDSA-N 1 0 276.380 2.203 10 0 CEAERO C[C@H]1CCC[NH2+][C@H]1CNC(=O)c1cccc(OC(F)F)c1 ZINC000071338743 176129177 /nfs/dbraw/zinc/12/91/77/176129177.db2.gz LMYQZOXPUKTUNC-GWCFXTLKSA-N 1 0 298.333 2.406 10 0 CEAERO COc1ccccc1NC(=O)NC[C@@H]1[NH2+]CCC[C@H]1C ZINC000071338956 176129340 /nfs/dbraw/zinc/12/93/40/176129340.db2.gz PWXXCJNPLPFNNY-YPMHNXCESA-N 1 0 277.368 2.205 10 0 CEAERO CC(C)[C@H]1C[N@H+](CCCn2ccnc2)[C@@](C)(C2CC2)CN1 ZINC000071342119 176130407 /nfs/dbraw/zinc/13/04/07/176130407.db2.gz WIFVGCNHPKRHRE-IAGOWNOFSA-N 1 0 290.455 2.372 10 0 CEAERO CC[C@@H]1C[N@H+](CCCn2ccnc2)C2(CCCC2)CN1 ZINC000071345208 176131661 /nfs/dbraw/zinc/13/16/61/176131661.db2.gz BWSLGUKZDGGJKW-OAHLLOKOSA-N 1 0 276.428 2.270 10 0 CEAERO CC[C@H]1CN(CCn2ccnc2C)C(CC)(CC)C[NH2+]1 ZINC000071345090 176131667 /nfs/dbraw/zinc/13/16/67/176131667.db2.gz HGOAMDBUKCJARD-HNNXBMFYSA-N 1 0 278.444 2.434 10 0 CEAERO C[C@H]1C[NH2+][C@H](C(C)(C)C)CN1C[C@@H]1CCCCO1 ZINC000071345903 176131791 /nfs/dbraw/zinc/13/17/91/176131791.db2.gz ZGKXTGHCODBYDU-IHRRRGAJSA-N 1 0 254.418 2.264 10 0 CEAERO CC(C)(C)[C@@H]1CN(Cc2ncccn2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000071349114 176132631 /nfs/dbraw/zinc/13/26/31/176132631.db2.gz DQLXIGFCADZPSY-WMLDXEAASA-N 1 0 288.439 2.465 10 0 CEAERO CC(C)(C)[C@@H]1CN(Cc2ncccn2)[C@H](C2CC2)C[NH2+]1 ZINC000071347810 176132884 /nfs/dbraw/zinc/13/28/84/176132884.db2.gz QGRGPWWMOVWMDP-KBPBESRZSA-N 1 0 274.412 2.075 10 0 CEAERO CCC[C@H]1C[NH2+][C@H]([C@@H](C)CC)CN1Cc1ncccn1 ZINC000071354489 176136186 /nfs/dbraw/zinc/13/61/86/176136186.db2.gz UMNDQJJOTUXFBK-KKUMJFAQSA-N 1 0 276.428 2.465 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@@H](Cc2ccccc2)CN1CCOC ZINC000071353378 176136374 /nfs/dbraw/zinc/13/63/74/176136374.db2.gz QDWFOSXQYHGQRP-IRXDYDNUSA-N 1 0 276.424 2.318 10 0 CEAERO CC[C@H](C)[C@@H]1CN(CCn2cccn2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000071356331 176136937 /nfs/dbraw/zinc/13/69/37/176136937.db2.gz PIIMYUJPLRYUQC-BHYGNILZSA-N 1 0 290.455 2.372 10 0 CEAERO COCCOCCN1CC2(CCCC2)[NH2+]C[C@@H]1C(C)(C)C ZINC000071358839 176137745 /nfs/dbraw/zinc/13/77/45/176137745.db2.gz RGURPBRKDHVZAU-OAHLLOKOSA-N 1 0 298.471 2.282 10 0 CEAERO CC[C@]1(C)CN(CCn2cccn2)[C@H](C(C)(C)C)C[NH2+]1 ZINC000071357400 176137908 /nfs/dbraw/zinc/13/79/08/176137908.db2.gz RVEYTXCJFRZTRV-GOEBONIOSA-N 1 0 278.444 2.372 10 0 CEAERO COCCN1CC2(CCCC2)[NH2+]C[C@H]1Cc1ccccc1 ZINC000071358929 176137980 /nfs/dbraw/zinc/13/79/80/176137980.db2.gz LRCWDCVVBDJVGJ-QGZVFWFLSA-N 1 0 288.435 2.462 10 0 CEAERO CC[C@]1(C)C[N@H+](CCn2ccnc2C)[C@@](C)(C2CC2)CN1 ZINC000071358092 176138096 /nfs/dbraw/zinc/13/80/96/176138096.db2.gz YWRONTJWPLVIKD-IAGOWNOFSA-N 1 0 290.455 2.434 10 0 CEAERO COC(=O)c1ccccc1CNCC[N@H+](C)C1CCCC1 ZINC000071376915 176141710 /nfs/dbraw/zinc/14/17/10/176141710.db2.gz HFLDEIDSJVCBEO-UHFFFAOYSA-N 1 0 290.407 2.437 10 0 CEAERO CCCCCNC(=O)[C@H](C)NCC[N@H+](C)C1CCCC1 ZINC000071377351 176141718 /nfs/dbraw/zinc/14/17/18/176141718.db2.gz IFQXWKKNNRBYRR-AWEZNQCLSA-N 1 0 283.460 2.145 10 0 CEAERO C[C@H](c1ccccc1F)[N@H+](C)CCn1ccc(N)n1 ZINC000071378295 176143190 /nfs/dbraw/zinc/14/31/90/176143190.db2.gz QJAJDKNKFWRPQB-LLVKDONJSA-N 1 0 262.332 2.297 10 0 CEAERO C[N@H+](CCn1cnc2cc(N)ccc21)C1CCCC1 ZINC000071379262 176143326 /nfs/dbraw/zinc/14/33/26/176143326.db2.gz ZUCJGUHZZXDRMO-UHFFFAOYSA-N 1 0 258.369 2.493 10 0 CEAERO CCCn1cc(Cl)cc1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000071396979 176150688 /nfs/dbraw/zinc/15/06/88/176150688.db2.gz ZYAOFOZMHNVYSF-NSHDSACASA-N 1 0 269.776 2.033 10 0 CEAERO CC(C)N(CCCO)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000071400897 176153027 /nfs/dbraw/zinc/15/30/27/176153027.db2.gz PMVPVGVNATXLEI-HNNXBMFYSA-N 1 0 278.396 2.086 10 0 CEAERO Cc1ccc(O[C@H]2CCS(=O)(=O)C2)c(C[NH2+]C(C)C)c1 ZINC000071406458 176155759 /nfs/dbraw/zinc/15/57/59/176155759.db2.gz MRHOOOCGRCSZAS-AWEZNQCLSA-N 1 0 297.420 2.059 10 0 CEAERO CNC(=O)CCOc1ccc(C)cc1C[NH2+]CC(C)C ZINC000071407287 176156474 /nfs/dbraw/zinc/15/64/74/176156474.db2.gz MJHRTBDRKBZZRX-UHFFFAOYSA-N 1 0 278.396 2.256 10 0 CEAERO Cc1ccc(O[C@H](C)C(=O)NC(C)C)c(C[C@@H](C)[NH3+])c1 ZINC000071411713 176157011 /nfs/dbraw/zinc/15/70/11/176157011.db2.gz KYHKEUIPICGNBQ-CHWSQXEVSA-N 1 0 278.396 2.177 10 0 CEAERO CCc1nnc(COc2ccc(C)cc2C[C@H](C)[NH3+])o1 ZINC000071411658 176157036 /nfs/dbraw/zinc/15/70/36/176157036.db2.gz UEZYLXJDAZGJMZ-NSHDSACASA-N 1 0 275.352 2.409 10 0 CEAERO CN(C)Cc1nc2ccccc2n1C1CC[NH+](C)CC1 ZINC000071502868 176192861 /nfs/dbraw/zinc/19/28/61/176192861.db2.gz YBIQNJXPLJDXDZ-UHFFFAOYSA-N 1 0 272.396 2.365 10 0 CEAERO CC(C)CCNC(=O)c1nc2ccccn2c1C[NH+](C)C ZINC000071543193 176196055 /nfs/dbraw/zinc/19/60/55/176196055.db2.gz WQQGZSVXJBMSPD-UHFFFAOYSA-N 1 0 288.395 2.172 10 0 CEAERO Brc1ccc(CCC2=[NH+]CCN2)cc1 ZINC000071574530 176201441 /nfs/dbraw/zinc/20/14/41/176201441.db2.gz KVOQKGUNWCMGGS-UHFFFAOYSA-N 1 0 253.143 2.383 10 0 CEAERO COc1ccc([C@H](CO)[NH2+]C(C)C)c(OC)c1C ZINC000071574810 176202090 /nfs/dbraw/zinc/20/20/90/176202090.db2.gz FTTRGVQMVOUIRJ-LBPRGKRZSA-N 1 0 253.342 2.044 10 0 CEAERO [NH3+][C@H](CO)COc1ccc(Oc2ccccc2)cc1 ZINC000071585255 176210888 /nfs/dbraw/zinc/21/08/88/176210888.db2.gz NSNYDZPYIPVYKK-GFCCVEGCSA-N 1 0 259.305 2.177 10 0 CEAERO O[C@H](C[NH2+]C1CC1)Cc1ccccc1Br ZINC000071601369 176228038 /nfs/dbraw/zinc/22/80/38/176228038.db2.gz FIARMRVCKJGGGB-NSHDSACASA-N 1 0 270.170 2.105 10 0 CEAERO COc1ccc(Br)cc1[C@H](O)[C@H]([NH3+])C(C)C ZINC000071644298 176239457 /nfs/dbraw/zinc/23/94/57/176239457.db2.gz NNSIDCGLZZVBRA-NEPJUHHUSA-N 1 0 288.185 2.474 10 0 CEAERO COc1ccc(F)cc1N(C)C1CC[NH+](C)CC1 ZINC000071711298 176248558 /nfs/dbraw/zinc/24/85/58/176248558.db2.gz IRCVNXUJCJHPHT-UHFFFAOYSA-N 1 0 252.333 2.365 10 0 CEAERO c1cc2ccc(N3CCC[N@@H+]4CCC[C@H]4C3)nc2[nH]1 ZINC000072154607 176328243 /nfs/dbraw/zinc/32/82/43/176328243.db2.gz KLWYQPRXFMOOHJ-ZDUSSCGKSA-N 1 0 256.353 2.237 10 0 CEAERO O=C1N(CC2CCCCC2)CCC[C@@]12CC[NH2+]C2 ZINC000072157981 176329582 /nfs/dbraw/zinc/32/95/82/176329582.db2.gz DRBHXMXPHIWRSB-HNNXBMFYSA-N 1 0 250.386 2.169 10 0 CEAERO COc1ccc([C@@H]2Cc3n[nH]c(C)c3[C@H]([NH3+])C2)cc1 ZINC000072415383 176399166 /nfs/dbraw/zinc/39/91/66/176399166.db2.gz CAWAASIZQVUZHW-WCQYABFASA-N 1 0 257.337 2.457 10 0 CEAERO CO[C@@H](CN1CC[N@@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000659902857 415770802 /nfs/dbraw/zinc/77/08/02/415770802.db2.gz ZYVFHAGSKGUWFM-CVEARBPZSA-N 1 0 266.429 2.362 10 0 CEAERO CC[C@@H]([NH2+]C)C(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000662346942 415794372 /nfs/dbraw/zinc/79/43/72/415794372.db2.gz GDPPKZDASQAWNH-PRHODGIISA-N 1 0 256.296 2.140 10 0 CEAERO O=C(C[C@H]1CC[NH2+]C1)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000662367738 415808539 /nfs/dbraw/zinc/80/85/39/415808539.db2.gz FVSDAPSQBPVGBA-VWYCJHECSA-N 1 0 278.318 2.223 10 0 CEAERO CCC[C@H]1C[C@H]1NC(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662518067 415872081 /nfs/dbraw/zinc/87/20/81/415872081.db2.gz ZGFMJAQFGXVHAF-GXSJLCMTSA-N 1 0 264.394 2.312 10 0 CEAERO COC[C@@H]([NH3+])C(=O)N(C)C1CC(C)(C)CC(C)(C)C1 ZINC000662642993 415917541 /nfs/dbraw/zinc/91/75/41/415917541.db2.gz HZOABDXKZUPKKY-GFCCVEGCSA-N 1 0 270.417 2.023 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCC[C@H](C2CCC2)C1 ZINC000662716171 415941732 /nfs/dbraw/zinc/94/17/32/415941732.db2.gz RHTROYGHBOKXMP-QEJZJMRPSA-N 1 0 264.413 2.413 10 0 CEAERO CO[C@H](CNC(=O)[C@]1(C)CCCC[NH2+]1)C1CCCCC1 ZINC000662733767 415947687 /nfs/dbraw/zinc/94/76/87/415947687.db2.gz MWQYYSJLXNVSPG-ZBFHGGJFSA-N 1 0 282.428 2.230 10 0 CEAERO CC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000662734495 415949296 /nfs/dbraw/zinc/94/92/96/415949296.db2.gz PTMPIJIYGWSELH-VYHDIPPYSA-N 1 0 250.386 2.308 10 0 CEAERO CCCc1ccc([C@@H](O)CC[NH2+]CCCNC(C)=O)cc1 ZINC000075252929 176679352 /nfs/dbraw/zinc/67/93/52/176679352.db2.gz ZYZASTWHPDHKMG-KRWDZBQOSA-N 1 0 292.423 2.178 10 0 CEAERO C[NH2+]CC(=O)N[C@H](C)c1ccc(OC)c(C(C)C)c1 ZINC000076368842 177005947 /nfs/dbraw/zinc/00/59/47/177005947.db2.gz NHOLIRYZMLDTEG-LLVKDONJSA-N 1 0 264.369 2.215 10 0 CEAERO C[NH2+]CCC(=O)N[C@@H](C)c1cc(C)c(OC)cc1C ZINC000076369147 177006332 /nfs/dbraw/zinc/00/63/32/177006332.db2.gz XYYFVDFFYODAKP-LBPRGKRZSA-N 1 0 264.369 2.099 10 0 CEAERO [NH3+]CC1(C(=O)Nc2ccccc2Br)CC1 ZINC000076401833 177017367 /nfs/dbraw/zinc/01/73/67/177017367.db2.gz DUHVUYSJVGNCGM-UHFFFAOYSA-N 1 0 269.142 2.127 10 0 CEAERO C[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000076409373 177020059 /nfs/dbraw/zinc/02/00/59/177020059.db2.gz PZMWGCCGYZBGSO-MRVPVSSYSA-N 1 0 271.158 2.386 10 0 CEAERO CC(C)NC(=O)CC[C@H](C[NH3+])c1ccc(F)cc1 ZINC000076656717 177046121 /nfs/dbraw/zinc/04/61/21/177046121.db2.gz RBKMFGUCMKFMJC-GFCCVEGCSA-N 1 0 252.333 2.173 10 0 CEAERO COc1ccccc1OC[C@H](C[NH3+])c1cccnc1 ZINC000076666167 177050934 /nfs/dbraw/zinc/05/09/34/177050934.db2.gz VRWGPWIEZITDPS-ZDUSSCGKSA-N 1 0 258.321 2.212 10 0 CEAERO C[C@@H](C[NH3+])CC(=O)Nc1ccc(Br)cc1 ZINC000076710915 177067794 /nfs/dbraw/zinc/06/77/94/177067794.db2.gz BVOLAPULMIFJFM-MRVPVSSYSA-N 1 0 271.158 2.373 10 0 CEAERO COc1ccc(Cl)cc1NC(=O)C1(C[NH3+])CC1 ZINC000077609174 177285291 /nfs/dbraw/zinc/28/52/91/177285291.db2.gz GOSBIGPQEZARQX-UHFFFAOYSA-N 1 0 254.717 2.026 10 0 CEAERO CC[C@@H]([NH2+]C[C@@H]1CN(CC)CCO1)c1ccccc1 ZINC000078516240 177348854 /nfs/dbraw/zinc/34/88/54/177348854.db2.gz FVKWZGUSSJRCMD-HZPDHXFCSA-N 1 0 262.397 2.448 10 0 CEAERO COc1ccc(OC)c(NC(=O)CC[C@@H](C)CC[NH3+])c1 ZINC000079078265 177429437 /nfs/dbraw/zinc/42/94/37/177429437.db2.gz JIHLNVNIIBYYJL-LLVKDONJSA-N 1 0 280.368 2.407 10 0 CEAERO C[C@H](CC[NH3+])CCC(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000079118698 177436655 /nfs/dbraw/zinc/43/66/55/177436655.db2.gz IZWYYUDMAJUHBV-GXTWGEPZSA-N 1 0 263.385 2.443 10 0 CEAERO C[C@@H](CC[NH3+])CCC(=O)Nc1cccc(-c2nnco2)c1 ZINC000079191680 177442171 /nfs/dbraw/zinc/44/21/71/177442171.db2.gz ZKKIGIXMSMGSHL-LLVKDONJSA-N 1 0 288.351 2.440 10 0 CEAERO C[C@@H](CC[NH3+])CCC(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000079192387 177442262 /nfs/dbraw/zinc/44/22/62/177442262.db2.gz STKUKVBSVFTKOA-BPLDGKMQSA-N 1 0 260.381 2.424 10 0 CEAERO CCC[C@@H]1CCC(=O)N(CC[C@H](C[NH3+])OCC)CC1 ZINC000079226780 177450789 /nfs/dbraw/zinc/45/07/89/177450789.db2.gz YVPQYYPFACOFEK-ZIAGYGMSSA-N 1 0 270.417 2.169 10 0 CEAERO CCC[C@@H](CC[NH3+])CCC(=O)N1CCSCC1 ZINC000079235799 177452762 /nfs/dbraw/zinc/45/27/62/177452762.db2.gz NDRBBLVYDXHIBU-GFCCVEGCSA-N 1 0 258.431 2.107 10 0 CEAERO Cc1cccnc1-c1noc([C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])n1 ZINC000079559062 177519993 /nfs/dbraw/zinc/51/99/93/177519993.db2.gz VDFCUJNHZHVWQW-RHYQMDGZSA-N 1 0 270.336 2.281 10 0 CEAERO CCC[C@H](CC[NH3+])CCC(=O)N1CCCO[C@H](C)C1 ZINC000079241893 177454433 /nfs/dbraw/zinc/45/44/33/177454433.db2.gz USKIVLXHFRJPIM-KGLIPLIRSA-N 1 0 270.417 2.169 10 0 CEAERO CC(C)[C@@H](CC[NH3+])CCC(=O)N(CCCO)C(C)C ZINC000079277327 177461630 /nfs/dbraw/zinc/46/16/30/177461630.db2.gz YPDZVPCAEKQQPS-CQSZACIVSA-N 1 0 272.433 2.007 10 0 CEAERO CC(C)(C)[C@H](CC[NH3+])CCc1nc(-c2cnccn2)no1 ZINC000079285115 177463575 /nfs/dbraw/zinc/46/35/75/177463575.db2.gz ABVZTFFPQUAXJR-NSHDSACASA-N 1 0 289.383 2.470 10 0 CEAERO Cn1cc(NC(=O)CC[C@@H](CC[NH3+])C(C)(C)C)cn1 ZINC000079289873 177464386 /nfs/dbraw/zinc/46/43/86/177464386.db2.gz BMHSSHPFWQRLBK-NSHDSACASA-N 1 0 266.389 2.150 10 0 CEAERO COC(=O)c1cc(NC(=O)[C@@]2(C)CCC[NH2+]2)ccc1Cl ZINC000079512832 177510743 /nfs/dbraw/zinc/51/07/43/177510743.db2.gz JHSODTNWWZRIDI-CQSZACIVSA-N 1 0 296.754 2.207 10 0 CEAERO C[C@@H]1c2ccsc2CCN1C(=O)[C@]1(C)CCC[NH2+]1 ZINC000079518711 177513888 /nfs/dbraw/zinc/51/38/88/177513888.db2.gz XZNQVXOHNVWERN-YGRLFVJLSA-N 1 0 264.394 2.336 10 0 CEAERO Cc1nn(C[C@H]2CC[C@@H](C[NH2+]C(C)C)O2)cc1Cl ZINC000080017883 177597386 /nfs/dbraw/zinc/59/73/86/177597386.db2.gz WJANLXHNADRPKK-NWDGAFQWSA-N 1 0 271.792 2.391 10 0 CEAERO COCC[NH2+]CCc1cn(CCOC)c2ccccc12 ZINC000080062317 177603981 /nfs/dbraw/zinc/60/39/81/177603981.db2.gz VRONMXTVLLBVOP-UHFFFAOYSA-N 1 0 276.380 2.066 10 0 CEAERO C[C@]1(C(=O)Nc2ccc3c(c2)OCCCO3)CCCC[NH2+]1 ZINC000136141125 419440755 /nfs/dbraw/zinc/44/07/55/419440755.db2.gz SARAUBLSSIGACC-MRXNPFEDSA-N 1 0 290.363 2.319 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000136347220 419443024 /nfs/dbraw/zinc/44/30/24/419443024.db2.gz INVGFKZKLBNAOC-AAEUAGOBSA-N 1 0 292.379 2.008 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCC[C@H]1c1cccnc1 ZINC000136313877 419443247 /nfs/dbraw/zinc/44/32/47/419443247.db2.gz OQKKEJJUJALDEX-KBPBESRZSA-N 1 0 261.369 2.119 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1cccc(-n2ccnc2)c1 ZINC000136327227 419443831 /nfs/dbraw/zinc/44/38/31/419443831.db2.gz DQFRVFUVEBGYSJ-AWEZNQCLSA-N 1 0 272.352 2.184 10 0 CEAERO Cc1cc(N(C)C)ccc1NC(=O)C[C@@H]([NH3+])C(C)C ZINC000136326326 419445271 /nfs/dbraw/zinc/44/52/71/419445271.db2.gz NQFWHGSFGYNUQY-CYBMUJFWSA-N 1 0 263.385 2.373 10 0 CEAERO CC[C@@H](NC(=O)C[C@@H]([NH3+])C(C)C)c1nccs1 ZINC000136471333 419446401 /nfs/dbraw/zinc/44/64/01/419446401.db2.gz FYYJYPWGOQNQSP-NXEZZACHSA-N 1 0 255.387 2.084 10 0 CEAERO CCOc1ccc(CN(C)C(=O)C[C@H]([NH3+])C(C)C)cc1 ZINC000136373396 419447463 /nfs/dbraw/zinc/44/74/63/419447463.db2.gz KBHXQZSSWUCWKQ-HNNXBMFYSA-N 1 0 278.396 2.417 10 0 CEAERO CCN(CCCNC(=O)C[C@@H]([NH3+])C(C)C)c1ccccc1 ZINC000136431730 419447565 /nfs/dbraw/zinc/44/75/65/419447565.db2.gz DNFQXUWITWGZOP-MRXNPFEDSA-N 1 0 291.439 2.393 10 0 CEAERO Cc1ccccc1OCCN(C)C(=O)C[C@@H]([NH3+])C(C)C ZINC000136380748 419447644 /nfs/dbraw/zinc/44/76/44/419447644.db2.gz YFWTZXUQDHCNLC-CQSZACIVSA-N 1 0 278.396 2.206 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000136383016 419447672 /nfs/dbraw/zinc/44/76/72/419447672.db2.gz QZPJXIRHNRTISM-CQSZACIVSA-N 1 0 285.391 2.426 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000188662150 262335764 /nfs/dbraw/zinc/33/57/64/262335764.db2.gz FDKRHKCIIYAFKM-KGLIPLIRSA-N 1 0 297.443 2.070 10 0 CEAERO CCCC1(CNC(=O)[C@@H]2CCC[NH2+][C@H]2C)CCC1 ZINC000392036596 265998565 /nfs/dbraw/zinc/99/85/65/265998565.db2.gz GJHNTKQLDVODGI-QWHCGFSZSA-N 1 0 252.402 2.461 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)/C=C/c2scnc2C)C1 ZINC000188891530 270258341 /nfs/dbraw/zinc/25/83/41/270258341.db2.gz RRLBBIQHBAEPCU-SYTKJHMZSA-N 1 0 279.409 2.065 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cccc(COC)c2)C1 ZINC000194335741 270296848 /nfs/dbraw/zinc/29/68/48/270296848.db2.gz QREUSBSJTFGCDS-OAHLLOKOSA-N 1 0 291.395 2.439 10 0 CEAERO C[C@H]([NH2+]CCn1cncn1)c1ccc2c(c1)CCC2 ZINC000268857876 270330751 /nfs/dbraw/zinc/33/07/51/270330751.db2.gz UWUSDNYTEKQFDH-LBPRGKRZSA-N 1 0 256.353 2.118 10 0 CEAERO Cc1nnsc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000311544300 270333064 /nfs/dbraw/zinc/33/30/64/270333064.db2.gz OCJBJGSPJOFZPF-UPJWGTAASA-N 1 0 281.425 2.362 10 0 CEAERO CC(C)CO[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N[C@@H]2C)C1(C)C ZINC000392932023 270341508 /nfs/dbraw/zinc/34/15/08/270341508.db2.gz KTZKLNSBZFKRPA-YIYPIFLZSA-N 1 0 282.428 2.083 10 0 CEAERO C[C@@H]1CN(C(=O)c2cc3c(s2)CC[C@@H](C)C3)C[C@@H]1[NH3+] ZINC000423955289 270993049 /nfs/dbraw/zinc/99/30/49/270993049.db2.gz OTAFJDWPPZMRCY-FOGDFJRCSA-N 1 0 278.421 2.292 10 0 CEAERO Brc1cnccc1N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261593416 273477078 /nfs/dbraw/zinc/47/70/78/273477078.db2.gz WUKDELZQTXVSNA-KOLCDFICSA-N 1 0 282.185 2.032 10 0 CEAERO Cc1nc(N2CCC[C@@H]([NH3+])C2)ccc1Br ZINC000235985018 274840980 /nfs/dbraw/zinc/84/09/80/274840980.db2.gz FNWSYLDJAWIKLY-SECBINFHSA-N 1 0 270.174 2.080 10 0 CEAERO [NH3+]C[C@H]1CCCN1C(=O)c1cc(Cl)c2ccccc2n1 ZINC000335444123 274952060 /nfs/dbraw/zinc/95/20/60/274952060.db2.gz JTEANGSOQRZPNS-SNVBAGLBSA-N 1 0 289.766 2.452 10 0 CEAERO C(COC1CCCCC1)[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000261975714 275394188 /nfs/dbraw/zinc/39/41/88/275394188.db2.gz RARJMKZMIIPWFD-BRWVUGGUSA-N 1 0 296.455 2.082 10 0 CEAERO CC(C)c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC(N)=O)cc1 ZINC000048433736 275745066 /nfs/dbraw/zinc/74/50/66/275745066.db2.gz RIRRMEOGOBWDHW-GHMZBOCLSA-N 1 0 277.368 2.044 10 0 CEAERO CC1(C)CC[C@H](CNC(=O)C2C[NH2+]C2)c2ccccc21 ZINC000262215612 275829606 /nfs/dbraw/zinc/82/96/06/275829606.db2.gz JPOVOHBUYFCQLX-GFCCVEGCSA-N 1 0 272.392 2.177 10 0 CEAERO CC[N@H+](C)[C@H]1CCN(c2ncnc3c(F)cccc32)C1 ZINC000302835861 276078671 /nfs/dbraw/zinc/07/86/71/276078671.db2.gz WAHBGOBAGRGXRV-NSHDSACASA-N 1 0 274.343 2.299 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCCC[C@H]2O)C1(C)C ZINC000252856759 276354638 /nfs/dbraw/zinc/35/46/38/276354638.db2.gz IDTGJOHEAUFGOM-RFQIPJPRSA-N 1 0 255.402 2.473 10 0 CEAERO CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000193129147 276543361 /nfs/dbraw/zinc/54/33/61/276543361.db2.gz RFXBYHVDFXLZDR-XQLPTFJDSA-N 1 0 282.428 2.323 10 0 CEAERO CN1c2ccccc2[C@H]([NH2+]C[C@H]2CCCCO2)CC1=O ZINC000042817226 276992633 /nfs/dbraw/zinc/99/26/33/276992633.db2.gz VBVKEHKPYFGXAG-TZMCWYRMSA-N 1 0 274.364 2.253 10 0 CEAERO COC(C)(C)CC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000230416069 277176572 /nfs/dbraw/zinc/17/65/72/277176572.db2.gz YMLYTUZJAWMTPW-UKRRQHHQSA-N 1 0 255.402 2.429 10 0 CEAERO CC(C)(C)OCC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000123138161 277215050 /nfs/dbraw/zinc/21/50/50/277215050.db2.gz UTYYXGGSROHLDB-UKRRQHHQSA-N 1 0 255.402 2.429 10 0 CEAERO C[NH2+]CC(=O)N1CCC(c2c(C)[nH]c3ccccc32)CC1 ZINC000193128004 277263640 /nfs/dbraw/zinc/26/36/40/277263640.db2.gz QEVOABOSHKGOPQ-UHFFFAOYSA-N 1 0 285.391 2.402 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)[C@@H](C)CSc1ccccc1 ZINC000261750770 277298438 /nfs/dbraw/zinc/29/84/38/277298438.db2.gz NKDPDEISDFNGPX-NWDGAFQWSA-N 1 0 266.410 2.139 10 0 CEAERO CC(C)CN1CCC[C@@H]1C[NH2+][C@@H]1CCOC[C@H]1C ZINC000192641236 277394583 /nfs/dbraw/zinc/39/45/83/277394583.db2.gz LRFOTNLBVONZFC-RBSFLKMASA-N 1 0 254.418 2.121 10 0 CEAERO CC(C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000247049312 277780215 /nfs/dbraw/zinc/78/02/15/277780215.db2.gz WREHSDCUKATMSD-MGPQQGTHSA-N 1 0 252.402 2.399 10 0 CEAERO COc1ccc(NC(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])cc1 ZINC000234958134 277912709 /nfs/dbraw/zinc/91/27/09/277912709.db2.gz HFCONENDCQCNLM-WCQYABFASA-N 1 0 277.368 2.286 10 0 CEAERO COc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCc2ncnn2C1 ZINC000180585745 277951638 /nfs/dbraw/zinc/95/16/38/277951638.db2.gz LSJHIXPRVDTFIE-CZUORRHYSA-N 1 0 298.390 2.269 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000261861648 278081961 /nfs/dbraw/zinc/08/19/61/278081961.db2.gz XWYLJAZIPVHTSZ-MFKMUULPSA-N 1 0 296.798 2.423 10 0 CEAERO C[C@@H](C[NH2+][C@@H]1CCc2cc(F)ccc21)N1CCOCC1 ZINC000123220238 278285563 /nfs/dbraw/zinc/28/55/63/278285563.db2.gz JDVQYZBCLWNISN-BLLLJJGKSA-N 1 0 278.371 2.123 10 0 CEAERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1cc(F)cc(F)c1 ZINC000180602371 278388310 /nfs/dbraw/zinc/38/83/10/278388310.db2.gz DLKRYBPDCKNOMY-RNCFNFMXSA-N 1 0 278.306 2.222 10 0 CEAERO C[C@@H]1CCCC[C@@H]1OCCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261699983 278466780 /nfs/dbraw/zinc/46/67/80/278466780.db2.gz IGFFNJWNTOARFA-TUVASFSCSA-N 1 0 282.428 2.073 10 0 CEAERO CC1CCC(O)(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)CC1 ZINC000251584842 278528088 /nfs/dbraw/zinc/52/80/88/278528088.db2.gz CCQMSJBLVSWGCF-NTTUHNMPSA-N 1 0 267.413 2.331 10 0 CEAERO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CN(C)CCO1)CCCO2 ZINC000180497564 278885386 /nfs/dbraw/zinc/88/53/86/278885386.db2.gz AEJMUTORNYENHP-HOCLYGCPSA-N 1 0 290.407 2.129 10 0 CEAERO CCC[C@H](C)[C@@H](CC)[NH2+][C@H]1CCc2ncnn2C1 ZINC000246425198 278931846 /nfs/dbraw/zinc/93/18/46/278931846.db2.gz NLMGGRUCFOOPPT-RWMBFGLXSA-N 1 0 250.390 2.397 10 0 CEAERO CCN(CC)C[C@@H](C)[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085637466 279120100 /nfs/dbraw/zinc/12/01/00/279120100.db2.gz MFZLQDIUEZUWDR-RFGFWPKPSA-N 1 0 254.418 2.120 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NS(=O)(=O)CCC(C)(C)C ZINC000189139596 279133285 /nfs/dbraw/zinc/13/32/85/279133285.db2.gz ZLBZJPPUXBOYAN-CYBMUJFWSA-N 1 0 292.489 2.318 10 0 CEAERO C[C@H](Cc1ccccc1F)[NH2+][C@H]1CCCn2ncnc21 ZINC000188120905 279381939 /nfs/dbraw/zinc/38/19/39/279381939.db2.gz DTUHFIDOAJZQBC-RISCZKNCSA-N 1 0 274.343 2.473 10 0 CEAERO C[C@H]([NH3+])CC(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000261785536 279395234 /nfs/dbraw/zinc/39/52/34/279395234.db2.gz BXLNBORRWNHDAI-DUFXMDAXSA-N 1 0 282.771 2.024 10 0 CEAERO C[C@H]([NH3+])[C@@H]1CCCN(c2ccc(C(F)(F)F)nn2)C1 ZINC000167028420 279406896 /nfs/dbraw/zinc/40/68/96/279406896.db2.gz LASNYIFIPKGSMK-DTWKUNHWSA-N 1 0 274.290 2.059 10 0 CEAERO C[C@H]1CCCN(c2ncc(Cl)cc2F)[C@H]1C[NH3+] ZINC000251574811 279672954 /nfs/dbraw/zinc/67/29/54/279672954.db2.gz AUZKHDKMGRCJOM-KWQFWETISA-N 1 0 257.740 2.438 10 0 CEAERO COc1ccc2c(c1)CCC[C@H]2[NH2+]CCC[S@@](C)=O ZINC000127055148 279851457 /nfs/dbraw/zinc/85/14/57/279851457.db2.gz FESMXKNMVRHJJG-BEFAXECRSA-N 1 0 281.421 2.431 10 0 CEAERO C[C@H]1CN(Cc2cc(Cl)cc3c2OCC3)C[C@@H]1[NH3+] ZINC000235722470 279865553 /nfs/dbraw/zinc/86/55/53/279865553.db2.gz KTOPMVMCCIKRAP-ZANVPECISA-N 1 0 266.772 2.054 10 0 CEAERO CCCC[C@H](N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)C(=O)OC ZINC000135245616 280040376 /nfs/dbraw/zinc/04/03/76/280040376.db2.gz MPYGOUJOSWTRTQ-MELADBBJSA-N 1 0 270.417 2.037 10 0 CEAERO C[C@@H]1C[C@H]1c1ccc(CN2CCCNC(=O)[C@@H]2C)o1 ZINC000189085399 280142779 /nfs/dbraw/zinc/14/27/79/280142779.db2.gz SYQFVEAVIGLMTO-NTZNESFSSA-N 1 0 262.353 2.113 10 0 CEAERO CC(C)(O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000189476665 280150363 /nfs/dbraw/zinc/15/03/63/280150363.db2.gz TVVPNVQVFOOONT-VXGBXAGGSA-N 1 0 286.416 2.183 10 0 CEAERO CC(C)[C@H](C)NC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000047684975 280219870 /nfs/dbraw/zinc/21/98/70/280219870.db2.gz NUOTZWDWFOSOJZ-RDBSUJKOSA-N 1 0 269.433 2.451 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C)c1nc(C2CC2)no1 ZINC000245473167 280243267 /nfs/dbraw/zinc/24/32/67/280243267.db2.gz PRQZYYBCNOEWDL-YPMHNXCESA-N 1 0 278.400 2.424 10 0 CEAERO CCC[C@H](C(=O)NCCO[C@@H]1CCCC[C@H]1C)[NH+](C)C ZINC000245643151 280254945 /nfs/dbraw/zinc/25/49/45/280254945.db2.gz BOLUEAIXIUJQCW-RBSFLKMASA-N 1 0 284.444 2.428 10 0 CEAERO COCCC1(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)CCC1 ZINC000246032412 280270581 /nfs/dbraw/zinc/27/05/81/280270581.db2.gz PZPKJZNESUJLSW-ZIAGYGMSSA-N 1 0 282.428 2.038 10 0 CEAERO Cc1cc(Br)cnc1N1CCC[C@@H](C[NH3+])C1 ZINC000086707008 280310929 /nfs/dbraw/zinc/31/09/29/280310929.db2.gz AQRVJRPYGREORJ-JTQLQIEISA-N 1 0 284.201 2.328 10 0 CEAERO Cc1cc(C(=O)N2CCC[C@@H]2C[NH3+])ccc1Br ZINC000137690678 280326296 /nfs/dbraw/zinc/32/62/96/280326296.db2.gz ULTBKTMEWMOLLU-LLVKDONJSA-N 1 0 297.196 2.321 10 0 CEAERO CCN1CCC[C@@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000247657332 280337147 /nfs/dbraw/zinc/33/71/47/280337147.db2.gz XJBKCBLNYMDIMY-KGLIPLIRSA-N 1 0 297.443 2.070 10 0 CEAERO Cc1cccnc1/C=C/C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000248422773 280346549 /nfs/dbraw/zinc/34/65/49/280346549.db2.gz CVERJRSEXSOQLN-XIHNBGGYSA-N 1 0 287.407 2.248 10 0 CEAERO CCC[C@H](CC)NC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000248449167 280347744 /nfs/dbraw/zinc/34/77/44/280347744.db2.gz IABUTQXXZKQZLD-SOUVJXGZSA-N 1 0 299.459 2.052 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C[C@@H](O)CCc1ccccc1 ZINC000248572520 280353423 /nfs/dbraw/zinc/35/34/23/280353423.db2.gz MMMCHKPNIOBZLR-MSOLQXFVSA-N 1 0 290.451 2.396 10 0 CEAERO C[C@H](Cc1ccccc1)C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000248952538 280375421 /nfs/dbraw/zinc/37/54/21/280375421.db2.gz DEXWWBPJJLAQKA-KGLIPLIRSA-N 1 0 260.381 2.076 10 0 CEAERO CC[C@@H]1CN(C(=O)C[C@@H]2CCC[C@H]2C)CC[N@@H+]1CCOC ZINC000248982789 280377611 /nfs/dbraw/zinc/37/76/11/280377611.db2.gz JGUNFFSBCAGEPL-OWCLPIDISA-N 1 0 296.455 2.382 10 0 CEAERO C[C@H](O)CN1CC[NH+](CC[C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000249193656 280388177 /nfs/dbraw/zinc/38/81/77/280388177.db2.gz AZHUWAKWGNYWTP-VVLHAWIVSA-N 1 0 282.472 2.447 10 0 CEAERO CC(C)c1nsc(N2CC[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000253193474 280452174 /nfs/dbraw/zinc/45/21/74/280452174.db2.gz OQPBMLATPHKDFI-VHSXEESVSA-N 1 0 254.403 2.083 10 0 CEAERO [NH3+]CCCNc1noc2ccc(Br)cc21 ZINC000257711555 280525252 /nfs/dbraw/zinc/52/52/52/280525252.db2.gz FWIKDBBHCUPPNG-UHFFFAOYSA-N 1 0 270.130 2.351 10 0 CEAERO CC(C)(C)[C@H](O)C[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000324472048 280601713 /nfs/dbraw/zinc/60/17/13/280601713.db2.gz HGKCQSLJGHZWBA-OAHLLOKOSA-N 1 0 279.380 2.345 10 0 CEAERO CCC[C@H]([NH2+]C[C@@H]1CN(C)CCO1)[C@H]1CC1(C)C ZINC000397748158 280683181 /nfs/dbraw/zinc/68/31/81/280683181.db2.gz BJVDBWXZUAEPQH-MCIONIFRSA-N 1 0 254.418 2.121 10 0 CEAERO Cc1ccc(NC(=O)[C@@]2(C)CCCC[NH2+]2)c(C)c1O ZINC000133174326 280906330 /nfs/dbraw/zinc/90/63/30/280906330.db2.gz LAXMGPJGOOBXRH-OAHLLOKOSA-N 1 0 262.353 2.480 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccccc1 ZINC000174976192 288310564 /nfs/dbraw/zinc/31/05/64/288310564.db2.gz LLULJJOJHKFDGL-LSDHHAIUSA-N 1 0 258.365 2.385 10 0 CEAERO Cc1cccc2ncnc(N3CC[C@@H]([NH+](C)C)C3)c12 ZINC000176806520 281323966 /nfs/dbraw/zinc/32/39/66/281323966.db2.gz CJGIPCITIJRXSS-GFCCVEGCSA-N 1 0 256.353 2.079 10 0 CEAERO Cc1ccnc(N[C@@H]2CCC[NH2+]C2)c1Br ZINC000235944122 281472771 /nfs/dbraw/zinc/47/27/71/281472771.db2.gz USLCUQPBKULQEH-SECBINFHSA-N 1 0 270.174 2.316 10 0 CEAERO CC1(C)[C@H]([NH2+]CCCOCC2CC2)[C@@H]2CCO[C@@H]21 ZINC000085630925 281518334 /nfs/dbraw/zinc/51/83/34/281518334.db2.gz IWOYAHVAFVACHN-MJBXVCDLSA-N 1 0 253.386 2.206 10 0 CEAERO Cc1nc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1Br ZINC000261557799 281936682 /nfs/dbraw/zinc/93/66/82/281936682.db2.gz SCJUMLWPJFHUDJ-MNOVXSKESA-N 1 0 296.212 2.198 10 0 CEAERO CN(C(=O)[C@H]1CCC[C@H]([NH3+])C1)C(C1CC1)C1CC1 ZINC000154078049 288909259 /nfs/dbraw/zinc/90/92/59/288909259.db2.gz YOOYJUCMCVUQGS-STQMWFEESA-N 1 0 250.386 2.151 10 0 CEAERO CC(C)CSCCC[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000152877897 289100440 /nfs/dbraw/zinc/10/04/40/289100440.db2.gz UTMSNNSKXCOYRX-OAHLLOKOSA-N 1 0 297.468 2.363 10 0 CEAERO COc1ccccc1/C=C/C[N@@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000153882537 289125897 /nfs/dbraw/zinc/12/58/97/289125897.db2.gz QAFYPZHJCPLIMK-CDVVCGDMSA-N 1 0 288.391 2.309 10 0 CEAERO CCCC[NH+]1CCC(NC(=O)N[C@H](C)[C@H]2CCCO2)CC1 ZINC000158677334 289238670 /nfs/dbraw/zinc/23/86/70/289238670.db2.gz TXXQYFQNLOAUAL-UKRRQHHQSA-N 1 0 297.443 2.118 10 0 CEAERO COc1cccc2c1CC[C@@H]2NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000262328414 289259360 /nfs/dbraw/zinc/25/93/60/289259360.db2.gz XLNZCDVUVIHOTN-XUJVJEKNSA-N 1 0 288.391 2.316 10 0 CEAERO CC(C)(NC(=O)C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000311685124 289280035 /nfs/dbraw/zinc/28/00/35/289280035.db2.gz DJZZDUQNKXEASO-CYBMUJFWSA-N 1 0 260.381 2.428 10 0 CEAERO C[C@H]1CCN(c2nc(C(C)(C)C)ns2)[C@@H](C[NH3+])C1 ZINC000235618062 290593721 /nfs/dbraw/zinc/59/37/21/290593721.db2.gz SGSYRLBTDGIRQB-VHSXEESVSA-N 1 0 268.430 2.399 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000089460972 295272330 /nfs/dbraw/zinc/27/23/30/295272330.db2.gz JVNQQAIXQXFOII-KBUPBQIOSA-N 1 0 258.365 2.034 10 0 CEAERO [NH3+]Cc1ccc(C(=O)N[C@H]2CCO[C@@H]2c2ccccc2)cc1 ZINC000237989354 295278313 /nfs/dbraw/zinc/27/83/13/295278313.db2.gz JGWXJTSPNMGMBB-DLBZAZTESA-N 1 0 296.370 2.405 10 0 CEAERO C[C@H](C(=O)N1CCC[C@@H]2CCCC[C@@H]21)C1C[NH2+]C1 ZINC000163900450 298035176 /nfs/dbraw/zinc/03/51/76/298035176.db2.gz RYMQUSRCIQEKAY-OBJOEFQTSA-N 1 0 250.386 2.023 10 0 CEAERO C[C@H]1CC[C@H](NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000502793809 313037283 /nfs/dbraw/zinc/03/72/83/313037283.db2.gz GZRULLHCIYUUGR-ZQDZILKHSA-N 1 0 279.428 2.443 10 0 CEAERO CC(=O)Nc1cccc(N[C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000570690075 314053517 /nfs/dbraw/zinc/05/35/17/314053517.db2.gz FYORZLNSDUAXPJ-AAEUAGOBSA-N 1 0 261.369 2.445 10 0 CEAERO Cc1ccc2c(CC(=O)N3C[C@@H](C)[C@@H]([NH3+])C3)coc2c1 ZINC000572028199 314117186 /nfs/dbraw/zinc/11/71/86/314117186.db2.gz HMDTXXYLCWAMOL-RISCZKNCSA-N 1 0 272.348 2.089 10 0 CEAERO O=S1(=O)CCC[C@@H]([NH2+][C@H]2CCCc3cc(F)ccc32)C1 ZINC000183285503 321713686 /nfs/dbraw/zinc/71/36/86/321713686.db2.gz IWMJGMXGQFLNBO-HIFRSBDPSA-N 1 0 297.395 2.370 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CC2CCC1CC2 ZINC000381910563 321837293 /nfs/dbraw/zinc/83/72/93/321837293.db2.gz NGTPYABSFCYNIG-VZPJQNINSA-N 1 0 264.413 2.445 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCc1ccc(Cl)cc1 ZINC000384499582 321853080 /nfs/dbraw/zinc/85/30/80/321853080.db2.gz WTJGVSCFJSXMNB-FZMZJTMJSA-N 1 0 280.799 2.387 10 0 CEAERO Cc1cnc(N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)nc1C ZINC000386625351 321872636 /nfs/dbraw/zinc/87/26/36/321872636.db2.gz FBCPRECRFJMPKE-LSDHHAIUSA-N 1 0 268.364 2.025 10 0 CEAERO Cc1cnc(NCc2ccc3c(c2)C[NH2+]C3)nc1C ZINC000386705568 321873484 /nfs/dbraw/zinc/87/34/84/321873484.db2.gz VVDCIEAQMGCXSE-UHFFFAOYSA-N 1 0 254.337 2.309 10 0 CEAERO CC(C)C[C@@H]1CCCN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000397004489 329319140 /nfs/dbraw/zinc/31/91/40/329319140.db2.gz RBNFHWAIGMXDPI-KGLIPLIRSA-N 1 0 252.402 2.413 10 0 CEAERO CC(C)(C)[NH2+]CCc1nnc([C@H]2CCCCO2)o1 ZINC000050973944 518758471 /nfs/dbraw/zinc/75/84/71/518758471.db2.gz KQEWTBSKKQFBJC-SNVBAGLBSA-N 1 0 253.346 2.242 10 0 CEAERO CC(C)N(CC[NH3+])C(=O)c1cccc2cccnc21 ZINC000061410393 519646308 /nfs/dbraw/zinc/64/63/08/519646308.db2.gz MUKWHWGYVFBXBI-UHFFFAOYSA-N 1 0 257.337 2.044 10 0 CEAERO CC(C)CCOCCn1ccnc1C[NH2+]C(C)C ZINC000051005432 519669302 /nfs/dbraw/zinc/66/93/02/519669302.db2.gz XEDFVGSLPBORNJ-UHFFFAOYSA-N 1 0 253.390 2.444 10 0 CEAERO CC(C)[NH2+]C[C@@](C)(O)c1ccc2c(c1)OCCCO2 ZINC000055033101 519724175 /nfs/dbraw/zinc/72/41/75/519724175.db2.gz SOZMCAHNMZBKHG-OAHLLOKOSA-N 1 0 265.353 2.053 10 0 CEAERO CC(C)[NH2+]C[C@H]1C[C@]1(C)c1ccc(S(C)(=O)=O)cc1 ZINC000054595411 519726074 /nfs/dbraw/zinc/72/60/74/519726074.db2.gz CWKZDSLDWIZZBO-UKRRQHHQSA-N 1 0 281.421 2.366 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N(CC)Cc1cccs1 ZINC000061235952 519932764 /nfs/dbraw/zinc/93/27/64/519932764.db2.gz BIEIXTWFGKKZRR-LLVKDONJSA-N 1 0 254.399 2.342 10 0 CEAERO CC[NH2+]C[C@@H](C[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 ZINC000052950604 519946727 /nfs/dbraw/zinc/94/67/27/519946727.db2.gz LULQIYKZSYVHER-YNEHKIRRSA-N 1 0 261.431 2.083 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N[C@H](C)Cc1c(F)cccc1F ZINC000061234702 519964194 /nfs/dbraw/zinc/96/41/94/519964194.db2.gz KAUCMENXQUDTJO-WDEREUQCSA-N 1 0 284.350 2.258 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccc(C)cc1OC ZINC000061234931 519967444 /nfs/dbraw/zinc/96/74/44/519967444.db2.gz QWKUVSYQXDPBAI-NSHDSACASA-N 1 0 250.342 2.188 10 0 CEAERO CC[NH2+]C[C@H](c1ccccc1)N(CC)CCOC ZINC000052542811 519975124 /nfs/dbraw/zinc/97/51/24/519975124.db2.gz WJURYVUUZPDPIA-OAHLLOKOSA-N 1 0 250.386 2.306 10 0 CEAERO CCCN[C@@H](CC[N@H+](CCC)C(C)C)C(=O)OCC ZINC000062446640 519998759 /nfs/dbraw/zinc/99/87/59/519998759.db2.gz DOMUFOURMASROQ-AWEZNQCLSA-N 1 0 272.433 2.428 10 0 CEAERO CCCN[C@@](C[NH+](CC(C)C)CC(C)C)(C(N)=O)C1CC1 ZINC000069100875 520050236 /nfs/dbraw/zinc/05/02/36/520050236.db2.gz VHLXUEQOPBYSSF-QGZVFWFLSA-N 1 0 297.487 2.234 10 0 CEAERO CCC[NH2+][C@H](C)CCCN1C(=O)CC(C)(C)CC1=O ZINC000061828158 520061522 /nfs/dbraw/zinc/06/15/22/520061522.db2.gz MZWPBIWCMGXSNN-GFCCVEGCSA-N 1 0 268.401 2.330 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N[C@H](C)c1ccc(OC)c(F)c1 ZINC000061270966 520066215 /nfs/dbraw/zinc/06/62/15/520066215.db2.gz PIHXDXVMWDXJOA-WDEREUQCSA-N 1 0 282.359 2.400 10 0 CEAERO CC[NH2+][C@@H](CCSCc1cccc(C)c1)C(N)=O ZINC000062604047 520095518 /nfs/dbraw/zinc/09/55/18/520095518.db2.gz IWWKQNWZSRVCKJ-ZDUSSCGKSA-N 1 0 266.410 2.082 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)NCc1cccc(Br)c1 ZINC000061274045 520167090 /nfs/dbraw/zinc/16/70/90/520167090.db2.gz WNWGNAQASFTKLM-SNVBAGLBSA-N 1 0 299.212 2.453 10 0 CEAERO CCCNc1snnc1CN(CCC)CC[NH+](C)C ZINC000050816476 520203180 /nfs/dbraw/zinc/20/31/80/520203180.db2.gz KQRYULCCFCMREF-UHFFFAOYSA-N 1 0 285.461 2.134 10 0 CEAERO CCNc1cc(CC)nc(CC[NH+](CC)CC)n1 ZINC000050851122 520269101 /nfs/dbraw/zinc/26/91/01/520269101.db2.gz CYTPAFUNRNNXHC-UHFFFAOYSA-N 1 0 250.390 2.355 10 0 CEAERO CCNc1ncccc1CN(C)C1CC[NH+](C)CC1 ZINC000052717060 520376540 /nfs/dbraw/zinc/37/65/40/520376540.db2.gz PWKUVWRMELJDSH-UHFFFAOYSA-N 1 0 262.401 2.039 10 0 CEAERO C[C@H](CC[NH2+]Cc1cc[nH]c1)NC(=O)OC(C)(C)C ZINC000175707255 500647923 /nfs/dbraw/zinc/64/79/23/500647923.db2.gz PCFSWFFGRZBVKB-LLVKDONJSA-N 1 0 267.373 2.408 10 0 CEAERO CCN(CCOC)c1cc(Cl)ccc1C(N)=[NH2+] ZINC000062788895 521138545 /nfs/dbraw/zinc/13/85/45/521138545.db2.gz BCENUTPDCSTZHK-UHFFFAOYSA-N 1 0 255.749 2.097 10 0 CEAERO COCC[C@@H]([NH3+])C(=O)Nc1cc(Cl)ccc1Cl ZINC000052790702 521826291 /nfs/dbraw/zinc/82/62/91/521826291.db2.gz GTOFXMKOFYZLKU-SECBINFHSA-N 1 0 277.151 2.296 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1CC(=O)c1c(F)cccc1F ZINC000061645729 521864993 /nfs/dbraw/zinc/86/49/93/521864993.db2.gz WHAIZLCJFRTBPI-LLVKDONJSA-N 1 0 282.334 2.174 10 0 CEAERO COCC[C@H]([NH3+])C(=O)Nc1ccc(Cl)cc1Cl ZINC000052790775 521946538 /nfs/dbraw/zinc/94/65/38/521946538.db2.gz XOHVVULSSMWYOJ-VIFPVBQESA-N 1 0 277.151 2.296 10 0 CEAERO Cc1cc(C[NH2+][C@H](C)COCc2ccccc2)nn1C ZINC000414359635 533730537 /nfs/dbraw/zinc/73/05/37/533730537.db2.gz OYRWCIBVBYWJDN-CYBMUJFWSA-N 1 0 273.380 2.423 10 0 CEAERO C[NH2+]Cc1nc(Cn2ccc(C(F)(F)F)n2)cs1 ZINC000052592790 522153087 /nfs/dbraw/zinc/15/30/87/522153087.db2.gz HJQVFSLCEYAFFD-UHFFFAOYSA-N 1 0 276.287 2.126 10 0 CEAERO COC(=O)c1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cs1 ZINC000411281134 533805540 /nfs/dbraw/zinc/80/55/40/533805540.db2.gz NIBNAOWLWNCKEC-AAEUAGOBSA-N 1 0 294.420 2.203 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(NC(=O)N(C)CCCOC)cc1 ZINC000062032457 522332110 /nfs/dbraw/zinc/33/21/10/522332110.db2.gz JHVFWDJSQUXZAG-LBPRGKRZSA-N 1 0 279.384 2.467 10 0 CEAERO COC(=O)c1cc(C[NH2+][C@@H](C)[C@H]2CCCO2)cs1 ZINC000411537983 533825480 /nfs/dbraw/zinc/82/54/80/533825480.db2.gz SSLFNEXXHHWQRS-GXSJLCMTSA-N 1 0 269.366 2.192 10 0 CEAERO C[NH2+][C@@H](C)c1nnc(-c2cc(OC)ccc2OC)o1 ZINC000050618585 522339653 /nfs/dbraw/zinc/33/96/53/522339653.db2.gz IIWXZCINQQBFFV-QMMMGPOBSA-N 1 0 263.297 2.034 10 0 CEAERO COc1cc(C(=O)N2C[C@H]3C[NH2+]C[C@@H]3C2(C)C)ccc1C ZINC000090335844 518129743 /nfs/dbraw/zinc/12/97/43/518129743.db2.gz XDWBXGSTQVJVTR-KGLIPLIRSA-N 1 0 288.391 2.074 10 0 CEAERO C(CN1CCO[C@H]2CCC[C@@H]21)[NH2+]CC1CCCC1 ZINC000053425739 518391229 /nfs/dbraw/zinc/39/12/29/518391229.db2.gz RITMZCJUYSFDQJ-GJZGRUSLSA-N 1 0 252.402 2.020 10 0 CEAERO CC(C)(C)C(=O)Nc1cccc(NC(=O)[C@H]2CC[NH2+]C2)c1 ZINC000062116291 518591339 /nfs/dbraw/zinc/59/13/39/518591339.db2.gz QLHIJFMPMBQBTO-NSHDSACASA-N 1 0 289.379 2.219 10 0 CEAERO CC(C)(C)N1C(=O)C[C@H]([NH3+])[C@@H]1c1ccccc1F ZINC000062210092 518705029 /nfs/dbraw/zinc/70/50/29/518705029.db2.gz DONVXPVQTFYDQS-AAEUAGOBSA-N 1 0 250.317 2.225 10 0 CEAERO CC(C)(C)[NH2+]C[C@@H]1CCCCN1C1CCOCC1 ZINC000069311299 518759387 /nfs/dbraw/zinc/75/93/87/518759387.db2.gz OHULYNVXBORRSW-AWEZNQCLSA-N 1 0 254.418 2.408 10 0 CEAERO CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)CN1CCC[NH2+]CC1 ZINC000061270203 518971776 /nfs/dbraw/zinc/97/17/76/518971776.db2.gz WFJCSNOGIJQEGL-GJZGRUSLSA-N 1 0 295.471 2.003 10 0 CEAERO CC(C)[NH2+]C[C@]1(CCS(C)(=O)=O)C[C@H]2CC[C@@H]1C2 ZINC000054639086 519726258 /nfs/dbraw/zinc/72/62/58/519726258.db2.gz QARBOMAIJJMKFB-MJBXVCDLSA-N 1 0 273.442 2.226 10 0 CEAERO CC(C)[NH2+]Cc1cc(CN(C)CC(F)(F)F)on1 ZINC000052483299 519726355 /nfs/dbraw/zinc/72/63/55/519726355.db2.gz HPRFGPKJXBMVOO-UHFFFAOYSA-N 1 0 265.279 2.167 10 0 CEAERO CC(C)[NH2+]Cc1cnc(N2C[C@@H](C)O[C@H](C)C2)s1 ZINC000054900504 519728238 /nfs/dbraw/zinc/72/82/38/519728238.db2.gz FEEQVYWYWSBYEP-GHMZBOCLSA-N 1 0 269.414 2.255 10 0 CEAERO CC(C)[NH2+]Cc1cnn([C@@H]2CCCCC[C@@H]2O)c1 ZINC000054600475 519728458 /nfs/dbraw/zinc/72/84/58/519728458.db2.gz GNAHTGWYYAWMFW-KGLIPLIRSA-N 1 0 251.374 2.247 10 0 CEAERO CC(=O)Nc1ccc([C@@H](O)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000054682917 519733477 /nfs/dbraw/zinc/73/34/77/519733477.db2.gz ZLQSURNZDYZUTF-JKSUJKDBSA-N 1 0 270.332 2.378 10 0 CEAERO CC(C)[NH2+][C@@H](CS[C@@H]1CCC[C@@H](C)C1)C(N)=O ZINC000054695506 519735131 /nfs/dbraw/zinc/73/51/31/519735131.db2.gz XHBFSJIJSYZINU-UTUOFQBUSA-N 1 0 258.431 2.150 10 0 CEAERO CC(C)N[C@](C)(C[C@H](C)[NH+]1CCC(C)(C)CC1)C(N)=O ZINC000068643315 519740003 /nfs/dbraw/zinc/74/00/03/519740003.db2.gz BUERWKKNFCEHML-XJKSGUPXSA-N 1 0 283.460 2.129 10 0 CEAERO CC(C)N[C@]1(c2nccs2)CC[N@@H+](C(C)C)C1 ZINC000045660010 519741081 /nfs/dbraw/zinc/74/10/81/519741081.db2.gz GUNXNJBGXHVRNK-CYBMUJFWSA-N 1 0 253.415 2.451 10 0 CEAERO CC(C)[NH2+][C@](CSC1CCCC1)(C(N)=O)C1CC1 ZINC000069190586 519741153 /nfs/dbraw/zinc/74/11/53/519741153.db2.gz JLBOBUZMWDGLNC-AWEZNQCLSA-N 1 0 270.442 2.294 10 0 CEAERO CC(C)C[NH2+]Cc1ccc(O[C@@H]2CCOC2=O)cc1 ZINC000062728944 519747461 /nfs/dbraw/zinc/74/74/61/519747461.db2.gz LIOHIGSZLLJCLP-CQSZACIVSA-N 1 0 263.337 2.127 10 0 CEAERO CC(C)C[NH2+]Cc1cnn(CC2CCOCC2)c1 ZINC000054720365 519748459 /nfs/dbraw/zinc/74/84/59/519748459.db2.gz VZPFWZLEAWBZBK-UHFFFAOYSA-N 1 0 251.374 2.055 10 0 CEAERO CC(C)Oc1cccc(C(=O)N2[C@H](C)C[C@H]3C[NH2+]C[C@@H]32)c1 ZINC000061666803 519782436 /nfs/dbraw/zinc/78/24/36/519782436.db2.gz UAXYGNNFBXKIQC-INWMFGNUSA-N 1 0 288.391 2.296 10 0 CEAERO CC(C)[C@@H](CN(C)C)[NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000049197186 519793998 /nfs/dbraw/zinc/79/39/98/519793998.db2.gz YIFQMYANFDIFES-IAQYHMDHSA-N 1 0 290.411 2.093 10 0 CEAERO CC(C)[C@@H](C[NH2+]C1CC1)N(C)C[C@@H]1CCCCO1 ZINC000052507104 519794870 /nfs/dbraw/zinc/79/48/70/519794870.db2.gz FQQZSJVWFXDOIL-LSDHHAIUSA-N 1 0 254.418 2.264 10 0 CEAERO CC(C)[C@H](CN(C)C)[NH2+]C[C@H](O)c1c(F)cccc1F ZINC000049204775 519814638 /nfs/dbraw/zinc/81/46/38/519814638.db2.gz LOXLIKSHYGKKEU-KBPBESRZSA-N 1 0 286.366 2.174 10 0 CEAERO CCC[NH+]1CCC(Nc2cc3c(cc2N)CC(=O)N3)CC1 ZINC000049554965 519847452 /nfs/dbraw/zinc/84/74/52/519847452.db2.gz PGKJRZDBBVEJSK-UHFFFAOYSA-N 1 0 288.395 2.050 10 0 CEAERO CCC[NH+]1CCC(O)(c2ccc3c(c2)OCCO3)CC1 ZINC000055192486 519847854 /nfs/dbraw/zinc/84/78/54/519847854.db2.gz WKOFOEAHUPGDLI-UHFFFAOYSA-N 1 0 277.364 2.151 10 0 CEAERO CCC1CCN(C(=O)C2CCC(C[NH3+])CC2)CC1 ZINC000055161460 519857523 /nfs/dbraw/zinc/85/75/23/519857523.db2.gz JURNQFMTCBHSTM-UHFFFAOYSA-N 1 0 252.402 2.400 10 0 CEAERO CCCN1CCO[C@@H](C[NH2+]C)[C@@H]1c1ccc(F)cc1 ZINC000070288345 519861257 /nfs/dbraw/zinc/86/12/57/519861257.db2.gz NQJPNBVVHXPGPU-GJZGRUSLSA-N 1 0 266.360 2.197 10 0 CEAERO CCCN1CC[C@H]([NH3+])[C@@H]1c1c(OC)cc(OC)cc1OC ZINC000070299089 519863867 /nfs/dbraw/zinc/86/38/67/519863867.db2.gz ZBJQULZNFDBOPT-BLLLJJGKSA-N 1 0 294.395 2.197 10 0 CEAERO CCOCCC[NH2+]CCN(C)c1ccccc1OC ZINC000053430646 519896957 /nfs/dbraw/zinc/89/69/57/519896957.db2.gz ZZWNLHVXOMJYOC-UHFFFAOYSA-N 1 0 266.385 2.148 10 0 CEAERO CCCC1CCN([C@@H]2COCC[C@H]2[NH2+]CC)CC1 ZINC000050893605 519903440 /nfs/dbraw/zinc/90/34/40/519903440.db2.gz FLHMGBJRXROFTB-HUUCEWRRSA-N 1 0 254.418 2.266 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)NCc1ccc(Cl)cc1 ZINC000061288320 519905160 /nfs/dbraw/zinc/90/51/60/519905160.db2.gz BAMSAPBZVVJREN-UHFFFAOYSA-N 1 0 254.761 2.344 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1cc(C(=O)N(C)C)ccc1C ZINC000061291543 519905931 /nfs/dbraw/zinc/90/59/31/519905931.db2.gz OXOHXVQTTCTYDT-UHFFFAOYSA-N 1 0 291.395 2.023 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1ccc(Br)cn1 ZINC000061288415 519906867 /nfs/dbraw/zinc/90/68/67/519906867.db2.gz WLYYULBAYPBLBA-UHFFFAOYSA-N 1 0 286.173 2.171 10 0 CEAERO CC[NH2+]CC(=O)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000066225762 519911606 /nfs/dbraw/zinc/91/16/06/519911606.db2.gz JIWWFGROHYRMFF-UHFFFAOYSA-N 1 0 297.358 2.487 10 0 CEAERO CC[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000061293930 519915258 /nfs/dbraw/zinc/91/52/58/519915258.db2.gz PNBBKAFEWQNBNF-UHFFFAOYSA-N 1 0 299.212 2.407 10 0 CEAERO CC[NH2+]CCC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000061286744 519918088 /nfs/dbraw/zinc/91/80/88/519918088.db2.gz GFAPUEXPEQHNOF-UHFFFAOYSA-N 1 0 256.733 2.287 10 0 CEAERO CC[NH2+]CCC(=O)Nc1cccc(-n2cccc2)c1 ZINC000061292986 519918271 /nfs/dbraw/zinc/91/82/71/519918271.db2.gz AQYCVJJUKLMYDF-UHFFFAOYSA-N 1 0 257.337 2.415 10 0 CEAERO CC[NH2+]CCC(=O)Nc1ccc(OC(C)C)cc1 ZINC000061288491 519918273 /nfs/dbraw/zinc/91/82/73/519918273.db2.gz RBIOYFXMXDVTQA-UHFFFAOYSA-N 1 0 250.342 2.412 10 0 CEAERO CC[NH2+]CC[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC000052417347 519927873 /nfs/dbraw/zinc/92/78/73/519927873.db2.gz YULCFHODZZZWRQ-OAHLLOKOSA-N 1 0 261.413 2.197 10 0 CEAERO CCC[NH2+]C[C@H]1CC[C@@H](CN(C)Cc2cscn2)O1 ZINC000052503878 519937299 /nfs/dbraw/zinc/93/72/99/519937299.db2.gz QMLWBZZHMVCEOK-KGLIPLIRSA-N 1 0 283.441 2.122 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N[C@H](C)c1ccc(F)cc1F ZINC000061231140 519938005 /nfs/dbraw/zinc/93/80/05/519938005.db2.gz MSSYBFPMDHQAGQ-NXEZZACHSA-N 1 0 270.323 2.388 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000061267486 519940279 /nfs/dbraw/zinc/94/02/79/519940279.db2.gz HLWQQSYPNGWRRD-LLVKDONJSA-N 1 0 289.379 2.219 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccc(NC(C)=O)c(C)c1 ZINC000061230756 519940858 /nfs/dbraw/zinc/94/08/58/519940858.db2.gz OOFSIPZSWDRNFN-LLVKDONJSA-N 1 0 277.368 2.138 10 0 CEAERO CC[NH2+]C[C@@H](C)CN1CCN(c2ccc(F)cc2)CC1 ZINC000052418197 519943764 /nfs/dbraw/zinc/94/37/64/519943764.db2.gz ZORHBZJCCXFQOB-CQSZACIVSA-N 1 0 279.403 2.193 10 0 CEAERO CC[NH2+]C[C@@H](CC)N1CCN(c2ccc(F)cc2)CC1 ZINC000052418188 519944867 /nfs/dbraw/zinc/94/48/67/519944867.db2.gz IQUVZJVGQQWYDA-OAHLLOKOSA-N 1 0 279.403 2.336 10 0 CEAERO CC[NH2+]C[C@@H](O)c1cc2c(cc1OCC)C[C@H](C)O2 ZINC000055027697 519946520 /nfs/dbraw/zinc/94/65/20/519946520.db2.gz TWVWCVBJARTDQQ-GXFFZTMASA-N 1 0 265.353 2.052 10 0 CEAERO CCC[NH2+]Cc1ccc(-n2nnc3ccccc32)nc1 ZINC000051491829 519947516 /nfs/dbraw/zinc/94/75/16/519947516.db2.gz QWWYONANHOQUOQ-UHFFFAOYSA-N 1 0 267.336 2.315 10 0 CEAERO CC[NH2+]C[C@@H](OCCCOC)c1ccc(OC)cc1 ZINC000050486254 519947717 /nfs/dbraw/zinc/94/77/17/519947717.db2.gz DWGRPYHLWXJXIZ-OAHLLOKOSA-N 1 0 267.369 2.399 10 0 CEAERO CC[NH2+]C[C@@H](O[C@@H](C)COC)c1ccc(OC)cc1 ZINC000070206463 519949004 /nfs/dbraw/zinc/94/90/04/519949004.db2.gz QSYZJPDTOYJVJQ-SWLSCSKDSA-N 1 0 267.369 2.397 10 0 CEAERO CC[NH2+]C[C@@H](c1ccccc1)N(C)[C@@H](C)COC ZINC000052511974 519949249 /nfs/dbraw/zinc/94/92/49/519949249.db2.gz XBASXYMRKIVARU-ZFWWWQNUSA-N 1 0 250.386 2.304 10 0 CEAERO CCC[NH2+]Cc1ccc(OCCO)c(Br)c1 ZINC000062701297 519952901 /nfs/dbraw/zinc/95/29/01/519952901.db2.gz YHHRVVUHEKQWPU-UHFFFAOYSA-N 1 0 288.185 2.320 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000061267008 519963101 /nfs/dbraw/zinc/96/31/01/519963101.db2.gz AVJHVGIOBLUOTF-QWRGUYRKSA-N 1 0 252.333 2.249 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N[C@H](C)Cc1ccccc1C ZINC000061234734 519964291 /nfs/dbraw/zinc/96/42/91/519964291.db2.gz AEFSTIUISDQPGA-UONOGXRCSA-N 1 0 262.397 2.288 10 0 CEAERO CCC[NH2+]Cc1cnc(N2CCOCC2(C)C)s1 ZINC000054909166 519965480 /nfs/dbraw/zinc/96/54/80/519965480.db2.gz IWHOQJWQAGJZGO-UHFFFAOYSA-N 1 0 269.414 2.258 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccc(Cn2cccn2)cc1 ZINC000061234605 519966856 /nfs/dbraw/zinc/96/68/56/519966856.db2.gz GXNBNVSYPDKCPH-ZDUSSCGKSA-N 1 0 286.379 2.116 10 0 CEAERO CC[NH2+]C[C@H]1CC[C@H](CN(CC)CC(F)(F)F)O1 ZINC000052503161 519979823 /nfs/dbraw/zinc/97/98/23/519979823.db2.gz IQBOMBNNVCTUJO-GHMZBOCLSA-N 1 0 268.323 2.028 10 0 CEAERO CC[NH2+]C[C@H]1CC[C@@H](Cn2nc(C)c(CC)c2C)O1 ZINC000052592171 519979835 /nfs/dbraw/zinc/97/98/35/519979835.db2.gz MECVBBLZLJKFRY-KGLIPLIRSA-N 1 0 265.401 2.219 10 0 CEAERO CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C1CCOCC1 ZINC000069288338 519987281 /nfs/dbraw/zinc/98/72/81/519987281.db2.gz NZKSXJNBJLGWDM-ZFWWWQNUSA-N 1 0 254.418 2.408 10 0 CEAERO CCC[NH2+][C@@H](C)c1c(F)cccc1N1CCS(=O)CC1 ZINC000049691929 519987661 /nfs/dbraw/zinc/98/76/61/519987661.db2.gz PFXNHWWQTZWXPM-LBPRGKRZSA-N 1 0 298.427 2.455 10 0 CEAERO CC[NH2+]Cc1ccc(N2CCC(COC)CC2)nc1 ZINC000070082658 519997826 /nfs/dbraw/zinc/99/78/26/519997826.db2.gz ARLSXVLASKARCM-UHFFFAOYSA-N 1 0 263.385 2.054 10 0 CEAERO CCNC(=O)CCOc1ccc(C[NH2+]CC)cc1Cl ZINC000051757474 519999201 /nfs/dbraw/zinc/99/92/01/519999201.db2.gz IZWHKUKPVMVSOS-UHFFFAOYSA-N 1 0 284.787 2.355 10 0 CEAERO CCC[NH2+][C@@H](CN1CCCOCC1)c1ccccc1 ZINC000061917906 520008753 /nfs/dbraw/zinc/00/87/53/520008753.db2.gz HQMVBBUIDUWBEE-INIZCTEOSA-N 1 0 262.397 2.450 10 0 CEAERO CCC[NH2+][C@@H](CS(C)(=O)=O)c1cc(C)ccc1OC ZINC000054930592 520010530 /nfs/dbraw/zinc/01/05/30/520010530.db2.gz UBCVZLONEUVKHA-ZDUSSCGKSA-N 1 0 285.409 2.089 10 0 CEAERO CC[NH2+]Cc1ccnc(Cc2ccc(OC)c(OC)c2)n1 ZINC000054791375 520011204 /nfs/dbraw/zinc/01/12/04/520011204.db2.gz NKKBUNGIWQGBDL-UHFFFAOYSA-N 1 0 287.363 2.194 10 0 CEAERO CC[NH2+]Cc1cnc(N2C[C@H](C)OC(C)(C)C2)s1 ZINC000054908051 520016940 /nfs/dbraw/zinc/01/69/40/520016940.db2.gz HUEHTDWJPIBGKK-JTQLQIEISA-N 1 0 269.414 2.256 10 0 CEAERO CC[NH2+]Cc1nnc(-c2ccccc2OC(F)F)o1 ZINC000050615538 520024648 /nfs/dbraw/zinc/02/46/48/520024648.db2.gz JLOXMBSKAPKGIP-UHFFFAOYSA-N 1 0 269.251 2.448 10 0 CEAERO CCC[NH2+][C@@H]1CCOC[C@H]1N1CCC(C)(C)CC1 ZINC000061819887 520025479 /nfs/dbraw/zinc/02/54/79/520025479.db2.gz STWPXFPDMVMQDY-ZIAGYGMSSA-N 1 0 254.418 2.266 10 0 CEAERO CCC[NH2+][C@@H]1COc2cc(O[C@H](C)C(=O)NCC)ccc21 ZINC000062805181 520029430 /nfs/dbraw/zinc/02/94/30/520029430.db2.gz DEVVNLMRNIJABN-BXUZGUMPSA-N 1 0 292.379 2.023 10 0 CEAERO CCC[NH2+][C@@](C)(CC[N@H+](C)C(C)(C)CC)C(=O)[O-] ZINC000069443278 520037478 /nfs/dbraw/zinc/03/74/78/520037478.db2.gz CRQBGZYENPPHJI-AWEZNQCLSA-N 1 0 258.406 2.340 10 0 CEAERO CCCN[C@@](C)(C[C@@H](C)[N@H+](C)C[C@@H]1C[C@@H]1C)C(=O)OC ZINC000068647588 520040660 /nfs/dbraw/zinc/04/06/60/520040660.db2.gz MZSOJMGZYVHVDS-FQLMCAECSA-N 1 0 284.444 2.284 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N(CCOC)C(CC)CC ZINC000061272276 520062255 /nfs/dbraw/zinc/06/22/55/520062255.db2.gz IYNVEBMRAYTQDH-LBPRGKRZSA-N 1 0 258.406 2.038 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)NCc1ccccc1Cl ZINC000061268896 520065450 /nfs/dbraw/zinc/06/54/50/520065450.db2.gz AKBDOFKBHWAINL-JTQLQIEISA-N 1 0 254.761 2.344 10 0 CEAERO CCC[NH2+][C@H](C)c1ccc(NC(=O)N2CC[C@H](O)C2)cc1 ZINC000061713723 520065422 /nfs/dbraw/zinc/06/54/22/520065422.db2.gz LTGDAVXNZWCSAZ-DOMZBBRYSA-N 1 0 291.395 2.346 10 0 CEAERO CCC[NH2+][C@H](C)c1ccc(F)cc1OCCC(N)=O ZINC000062747239 520065528 /nfs/dbraw/zinc/06/55/28/520065528.db2.gz BMIIIXATVTWNSD-SNVBAGLBSA-N 1 0 268.332 2.141 10 0 CEAERO CCC[NH2+][C@H](C)c1ccc(F)cc1O[C@H](C)C(=O)NC ZINC000062747407 520066272 /nfs/dbraw/zinc/06/62/72/520066272.db2.gz SGGGUOIPUQXVHV-GHMZBOCLSA-N 1 0 282.359 2.400 10 0 CEAERO CCC[NH2+][C@H](CC1CCCCC1)CS(C)(=O)=O ZINC000060706292 520069617 /nfs/dbraw/zinc/06/96/17/520069617.db2.gz FCEGLXDOZQPYOZ-CYBMUJFWSA-N 1 0 261.431 2.370 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(-n2ccc(C(N)=O)n2)cc1Cl ZINC000070328124 520073823 /nfs/dbraw/zinc/07/38/23/520073823.db2.gz NUVCXAWYDXCCDA-VIFPVBQESA-N 1 0 292.770 2.295 10 0 CEAERO CC[NH2+][C@@H](C)c1nnc(-c2ccc3c(c2)CCO3)o1 ZINC000050892712 520080186 /nfs/dbraw/zinc/08/01/86/520080186.db2.gz OCXXQUVXLHGUMX-VIFPVBQESA-N 1 0 259.309 2.342 10 0 CEAERO CC[NH2+][C@@H](CC)c1cccc(S(=O)(=O)N[C@H]2C[C@@H]2C)c1 ZINC000052295457 520084452 /nfs/dbraw/zinc/08/44/52/520084452.db2.gz KCNYHGLHLCUFFB-CQDKDKBSSA-N 1 0 296.436 2.434 10 0 CEAERO CCN(C(=O)c1ccc(Cl)cc1)[C@@H]1CC[NH2+]C1 ZINC000058233860 520084948 /nfs/dbraw/zinc/08/49/48/520084948.db2.gz KIOQHHVNAQCEAH-GFCCVEGCSA-N 1 0 252.745 2.164 10 0 CEAERO CC[NH2+][C@@H](CCSc1cc(C)ccc1C)C(N)=O ZINC000062600234 520095312 /nfs/dbraw/zinc/09/53/12/520095312.db2.gz XBTUAGGJSGYBDN-LBPRGKRZSA-N 1 0 266.410 2.249 10 0 CEAERO CCN(C(=O)c1cccc(OC(C)C)c1)[C@@H]1CC[NH2+]C1 ZINC000061666021 520100666 /nfs/dbraw/zinc/10/06/66/520100666.db2.gz DBUAKCBVNVZLLL-CQSZACIVSA-N 1 0 276.380 2.298 10 0 CEAERO CCC[NH2+][C@](C)(CCCO[C@H](C)CC(C)C)C(N)=O ZINC000045503837 520105492 /nfs/dbraw/zinc/10/54/92/520105492.db2.gz JCLDAANGWJYXKV-UKRRQHHQSA-N 1 0 272.433 2.461 10 0 CEAERO CCOC[C@@H](O)COc1c(Cl)cc(Cl)cc1C[NH3+] ZINC000069275578 520105621 /nfs/dbraw/zinc/10/56/21/520105621.db2.gz SDEGFRZHCQYGSV-SNVBAGLBSA-N 1 0 294.178 2.228 10 0 CEAERO CC[NH2+][C@@H](c1ccc(Cl)s1)[C@H]1COCCO1 ZINC000055300158 520110122 /nfs/dbraw/zinc/11/01/22/520110122.db2.gz KOMCAIXWMZSGRX-LDYMZIIASA-N 1 0 261.774 2.468 10 0 CEAERO CCCN[C@](C)(C[C@@H](C)[NH+]1CCC(CC)CC1)C(N)=O ZINC000068638261 520111284 /nfs/dbraw/zinc/11/12/84/520111284.db2.gz RXFVJFVIMBRNMP-CZUORRHYSA-N 1 0 283.460 2.131 10 0 CEAERO CC[NH2+][C@@H](c1ccc2c(c1)CC(=O)N2)C1CCOCC1 ZINC000061671885 520112076 /nfs/dbraw/zinc/11/20/76/520112076.db2.gz GECQEFXJDIXOAP-MRXNPFEDSA-N 1 0 274.364 2.258 10 0 CEAERO CC[NH2+][C@@H](c1ccc2c(c1)CCC(=O)N2C)[C@@H]1CCOC1 ZINC000062806611 520112516 /nfs/dbraw/zinc/11/25/16/520112516.db2.gz BNVWLRIJEGARNZ-PBHICJAKSA-N 1 0 288.391 2.283 10 0 CEAERO CC[NH2+][C@@H](c1ccco1)c1ccc2c(c1)n(C)c(=O)n2C ZINC000051392560 520114858 /nfs/dbraw/zinc/11/48/58/520114858.db2.gz KNAOHNKSRAQVSI-OAHLLOKOSA-N 1 0 285.347 2.169 10 0 CEAERO CC[NH2+][C@@H]1COc2cc(OCc3nnc(CC)o3)ccc21 ZINC000062804666 520124749 /nfs/dbraw/zinc/12/47/49/520124749.db2.gz AIHKEKMBIFBHHA-GFCCVEGCSA-N 1 0 289.335 2.254 10 0 CEAERO CCC[NH2+][C@](CSc1ccccc1)(C(N)=O)C1CC1 ZINC000069185543 520126351 /nfs/dbraw/zinc/12/63/51/520126351.db2.gz HVEXIJICHONUFD-HNNXBMFYSA-N 1 0 278.421 2.412 10 0 CEAERO CCCNc1ccc(C(=O)NC[C@H](C)[NH+](C)C)cc1 ZINC000050780013 520148381 /nfs/dbraw/zinc/14/83/81/520148381.db2.gz FINFFCBUNBAUCJ-LBPRGKRZSA-N 1 0 263.385 2.188 10 0 CEAERO CCN[C@@](C[N@H+]1C[C@H](C)C[C@H](C)C1)(C(=O)OCC)C1CC1 ZINC000069091898 520153594 /nfs/dbraw/zinc/15/35/94/520153594.db2.gz LFCWWWNDRMMUTF-JKIFEVAISA-N 1 0 296.455 2.286 10 0 CEAERO CCN[C@@](C[N@@H+]1CCCC[C@@H]1CC)(C(=O)OC)C1CC1 ZINC000069097353 520154947 /nfs/dbraw/zinc/15/49/47/520154947.db2.gz UGVKZALWZQXYLL-GOEBONIOSA-N 1 0 282.428 2.182 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)NCCCOC1CCCCC1 ZINC000061273713 520165491 /nfs/dbraw/zinc/16/54/91/520165491.db2.gz UAKXRJNVAHXAAM-CYBMUJFWSA-N 1 0 270.417 2.230 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1ccc(F)c(NC(C)=O)c1 ZINC000061271487 520169676 /nfs/dbraw/zinc/16/96/76/520169676.db2.gz FZWYWPVEJVUPSJ-SECBINFHSA-N 1 0 281.331 2.111 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000061273797 520170924 /nfs/dbraw/zinc/17/09/24/520170924.db2.gz HCPVWCYIPYZYNO-GFCCVEGCSA-N 1 0 289.379 2.140 10 0 CEAERO CC[NH2+][C@H](CCOc1ccc(C(C)(C)C)cc1)C(N)=O ZINC000062548955 520190847 /nfs/dbraw/zinc/19/08/47/520190847.db2.gz CJKTUKATAJANTL-CQSZACIVSA-N 1 0 278.396 2.216 10 0 CEAERO CC[NH2+][C@H](Cc1cccc(OC)c1)c1cncnc1 ZINC000052887298 520202466 /nfs/dbraw/zinc/20/24/66/520202466.db2.gz OTUSWVAERHFBKU-OAHLLOKOSA-N 1 0 257.337 2.379 10 0 CEAERO CC[NH2+][C@H](Cn1ccc(=O)cc1)c1ccccc1OC ZINC000061627834 520205883 /nfs/dbraw/zinc/20/58/83/520205883.db2.gz JMLWPHIJBNJGLX-OAHLLOKOSA-N 1 0 272.348 2.208 10 0 CEAERO CC[NH2+][C@H]1CCO[C@@H](c2ccc3c(c2)OCCO3)C1 ZINC000070340849 520217724 /nfs/dbraw/zinc/21/77/24/520217724.db2.gz MIVCEFWCMYHNHT-GXTWGEPZSA-N 1 0 263.337 2.287 10 0 CEAERO CC[NH2+][C@H]1COc2cc(O[C@H]3CCC[C@@H]3O)ccc21 ZINC000062804754 520221388 /nfs/dbraw/zinc/22/13/88/520221388.db2.gz XJLAGLHXBIFNOC-IHRRRGAJSA-N 1 0 263.337 2.022 10 0 CEAERO CC[NH2+][C@](C)(C[C@@H](C)Oc1cccc(C)c1C)C(N)=O ZINC000068655477 520237734 /nfs/dbraw/zinc/23/77/34/520237734.db2.gz NGZZNLWNRSWKET-MLGOLLRUSA-N 1 0 278.396 2.314 10 0 CEAERO CCN[C@](C[N@H+](C)C(CC)CC)(C(=O)OCC)C1CC1 ZINC000069099520 520243349 /nfs/dbraw/zinc/24/33/49/520243349.db2.gz NGFQEMXLIKCXTQ-INIZCTEOSA-N 1 0 284.444 2.428 10 0 CEAERO CCCOCCC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000054434501 520252824 /nfs/dbraw/zinc/25/28/24/520252824.db2.gz FSNMWBKYOFIJNY-NSHDSACASA-N 1 0 250.342 2.462 10 0 CEAERO CCNc1c(F)cccc1C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061656075 520254424 /nfs/dbraw/zinc/25/44/24/520254424.db2.gz HOYPIXJOIBCCBJ-GFCCVEGCSA-N 1 0 293.386 2.424 10 0 CEAERO CCCO[C@H]1CCCN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000055136851 520279562 /nfs/dbraw/zinc/27/95/62/520279562.db2.gz PPBZJPIHRNVYMU-KKUMJFAQSA-N 1 0 282.428 2.312 10 0 CEAERO CCCO[C@H]1CCCN(c2nc(C)c(C[NH3+])s2)C1 ZINC000055002267 520286991 /nfs/dbraw/zinc/28/69/91/520286991.db2.gz PGNOOQOJDGSPBF-NSHDSACASA-N 1 0 269.414 2.306 10 0 CEAERO CCNc1ccc(C(=O)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000050777548 520289449 /nfs/dbraw/zinc/28/94/49/520289449.db2.gz QSSCEXSACKBRKW-CYBMUJFWSA-N 1 0 275.396 2.190 10 0 CEAERO CCNc1ncccc1C(=O)N1CC[NH+]([C@H](C)CC)CC1 ZINC000055085280 520373222 /nfs/dbraw/zinc/37/32/22/520373222.db2.gz FCDSMRQHYUDRIZ-CYBMUJFWSA-N 1 0 290.411 2.070 10 0 CEAERO CCNc1ncccc1CN1CCC([NH+](C)C)CC1 ZINC000052720846 520378611 /nfs/dbraw/zinc/37/86/11/520378611.db2.gz JQBCNNICWMMKPD-UHFFFAOYSA-N 1 0 262.401 2.039 10 0 CEAERO CCCOc1ccc(OCCC[C@](C)([NH2+]C)C(N)=O)cc1 ZINC000045520223 520405424 /nfs/dbraw/zinc/40/54/24/520405424.db2.gz JPDUXHQGJWUVNG-INIZCTEOSA-N 1 0 294.395 2.098 10 0 CEAERO CCCC[N@H+](CC)CC[C@@H](NCCC)C(=O)OCC ZINC000062438233 520475087 /nfs/dbraw/zinc/47/50/87/520475087.db2.gz KEFYKGFXADLTGL-CQSZACIVSA-N 1 0 272.433 2.430 10 0 CEAERO CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@@H](C)C2CCCC2)C1(C)C ZINC000157293635 520452108 /nfs/dbraw/zinc/45/21/08/520452108.db2.gz LHLLRKHGPSPVAB-GHJWDPDVSA-N 1 0 282.428 2.214 10 0 CEAERO CCCOc1cccc([C@@H]2[C@H](C[NH2+]C)OCCN2C)c1 ZINC000070284391 520467641 /nfs/dbraw/zinc/46/76/41/520467641.db2.gz PNVOIXVVGKFAIO-JKSUJKDBSA-N 1 0 278.396 2.067 10 0 CEAERO CCCC[N@H+](CC)C[C@](NCC)(C(=O)OCC)C1CC1 ZINC000069090276 520479631 /nfs/dbraw/zinc/47/96/31/520479631.db2.gz ZDQDLQPMIYBMGB-MRXNPFEDSA-N 1 0 284.444 2.430 10 0 CEAERO CC1(C)CN(c2nc3c(s2)[C@H]([NH3+])CCC3)CCO1 ZINC000054895957 520493864 /nfs/dbraw/zinc/49/38/64/520493864.db2.gz NLNUKCNWOHKVCY-SECBINFHSA-N 1 0 267.398 2.094 10 0 CEAERO CCCC[NH+](CCCC)CC[C@@H](NC)C(=O)OCC ZINC000062444356 520494934 /nfs/dbraw/zinc/49/49/34/520494934.db2.gz FDZKGXHLYUFTHH-CQSZACIVSA-N 1 0 272.433 2.430 10 0 CEAERO CCO[C@H](C[NH3+])CSc1nc2ccccc2o1 ZINC000062740611 520520036 /nfs/dbraw/zinc/52/00/36/520520036.db2.gz KDFJCTNYCHBTJJ-SECBINFHSA-N 1 0 252.339 2.284 10 0 CEAERO CCCC[N@H+](CC[C@@H](NC(C)C)C(N)=O)[C@@H](C)CC ZINC000062527591 520539678 /nfs/dbraw/zinc/53/96/78/520539678.db2.gz UGUAFGZTNWQXMJ-UONOGXRCSA-N 1 0 271.449 2.129 10 0 CEAERO CCN(CC)CC[NH2+]C1(CO)CCC(C(F)(F)F)CC1 ZINC000069376143 520687388 /nfs/dbraw/zinc/68/73/88/520687388.db2.gz LYQMNCJYFKYNDW-UHFFFAOYSA-N 1 0 296.377 2.401 10 0 CEAERO CC[NH+](CC)C[C@H](C)NC(=O)c1cnc(NC)c(Cl)c1 ZINC000050780575 520734014 /nfs/dbraw/zinc/73/40/14/520734014.db2.gz RJWJFYUCKGHNML-JTQLQIEISA-N 1 0 298.818 2.237 10 0 CEAERO CCOc1ccc(-c2nnc(C[NH2+]C)o2)cc1OCC ZINC000050615306 520823203 /nfs/dbraw/zinc/82/32/03/520823203.db2.gz SHBFVFKLHJRIBF-UHFFFAOYSA-N 1 0 277.324 2.253 10 0 CEAERO CCN(CC)[C@H](C[NH2+]CCCC(=O)NC)c1ccccc1 ZINC000068817610 520865875 /nfs/dbraw/zinc/86/58/75/520865875.db2.gz PFHKXYMTZNPGPP-MRXNPFEDSA-N 1 0 291.439 2.185 10 0 CEAERO CC1CCC(CNC(=O)[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000063152055 520921880 /nfs/dbraw/zinc/92/18/80/520921880.db2.gz NNFFEXOZLFDWJS-CLRIEMFWSA-N 1 0 252.402 2.446 10 0 CEAERO CC[N@H+](CC1CC1)[C@@H](C)C(=O)Nc1ccccc1N ZINC000069237125 520965159 /nfs/dbraw/zinc/96/51/59/520965159.db2.gz HIUFPTKFWODTLM-NSHDSACASA-N 1 0 261.369 2.328 10 0 CEAERO CCN(CC1CC1)c1nc2ccccn2c1C[C@@H](C)[NH3+] ZINC000069265029 520970036 /nfs/dbraw/zinc/97/00/36/520970036.db2.gz NKZZAGUIOSWHRE-GFCCVEGCSA-N 1 0 272.396 2.460 10 0 CEAERO CCN(CCC[NH3+])C(=O)c1cccc(OC(C)C)c1 ZINC000061665796 521010201 /nfs/dbraw/zinc/01/02/01/521010201.db2.gz LRAVWBWLCGGODZ-UHFFFAOYSA-N 1 0 264.369 2.285 10 0 CEAERO CCC[C@H](C)C[C@@H](C[NH2+]CC)[C@@H]1CCS(=O)(=O)C1 ZINC000052950578 521026273 /nfs/dbraw/zinc/02/62/73/521026273.db2.gz DFEWZGIUGJRIDI-MJBXVCDLSA-N 1 0 275.458 2.473 10 0 CEAERO CCOc1ccc(N)cc1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062977362 521029766 /nfs/dbraw/zinc/02/97/66/521029766.db2.gz VBLGRBMEGBQRLI-MRXNPFEDSA-N 1 0 289.423 2.338 10 0 CEAERO CCOc1ccc(NC(=O)C(C)(C)[NH2+]C)cc1OC ZINC000061316124 521050565 /nfs/dbraw/zinc/05/05/65/521050565.db2.gz QOTVJUAWBJYCLD-UHFFFAOYSA-N 1 0 266.341 2.030 10 0 CEAERO CCN(CC[NH2+]C[C@H]1CCCO1)c1cccc(F)c1 ZINC000053431979 521079266 /nfs/dbraw/zinc/07/92/66/521079266.db2.gz BCAFDSQXCZLSSZ-OAHLLOKOSA-N 1 0 266.360 2.421 10 0 CEAERO CCC[C@H](C[NH2+]C1CC1)Cc1nnnn1-c1ccccc1 ZINC000052970589 521101527 /nfs/dbraw/zinc/10/15/27/521101527.db2.gz KPJDADCARCPEHE-ZDUSSCGKSA-N 1 0 285.395 2.373 10 0 CEAERO CCN(CCOC)c1nc(C)c([C@H](C)[NH2+]C)s1 ZINC000054908228 521139536 /nfs/dbraw/zinc/13/95/36/521139536.db2.gz RFTJOYQOYGFSIC-VIFPVBQESA-N 1 0 257.403 2.205 10 0 CEAERO CCOC(=O)[C@@](C[N@H+](C)[C@@H](C)C1CC1)(NC1CC1)C1CC1 ZINC000069099839 521164330 /nfs/dbraw/zinc/16/43/30/521164330.db2.gz ANQXBCICRVYDRA-SJCJKPOMSA-N 1 0 294.439 2.181 10 0 CEAERO CCOC(=O)[C@@](C[N@H+](CC1CC1)C(C)C)(NC)C1CC1 ZINC000069183626 521166764 /nfs/dbraw/zinc/16/67/64/521166764.db2.gz IYXWWTOTFAUUES-INIZCTEOSA-N 1 0 282.428 2.038 10 0 CEAERO CCOC(=O)[C@@](N)(C[N@H+](C)[C@@H](C)CC(C)C)C1CC1 ZINC000069140029 521171530 /nfs/dbraw/zinc/17/15/30/521171530.db2.gz COVRUDZRHOAQAY-SWLSCSKDSA-N 1 0 270.417 2.023 10 0 CEAERO CC[N@H+](C[C@@H](N)c1ccc2c(c1)OCO2)CC1CC1 ZINC000069237624 521214762 /nfs/dbraw/zinc/21/47/62/521214762.db2.gz STZMXPIDTJFXKH-CYBMUJFWSA-N 1 0 262.353 2.147 10 0 CEAERO CCN(C[C@@]([NH2+]C(C)C)(C(N)=O)C1CC1)c1ccccc1 ZINC000069096320 521235211 /nfs/dbraw/zinc/23/52/11/521235211.db2.gz ZCHDWYZVVUPSQA-KRWDZBQOSA-N 1 0 289.423 2.145 10 0 CEAERO CCC[C@]1(C(=O)N2CC[C@H](C)C[C@@H]2C)CC[NH2+]C1 ZINC000062903724 521299015 /nfs/dbraw/zinc/29/90/15/521299015.db2.gz 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ZINC000052808812 521939588 /nfs/dbraw/zinc/93/95/88/521939588.db2.gz WVNVISGPSQVDOE-UONOGXRCSA-N 1 0 296.798 2.367 10 0 CEAERO C[NH2+]C(C)(C)c1nc2cc(Br)cnc2[nH]1 ZINC000061149865 521947585 /nfs/dbraw/zinc/94/75/85/521947585.db2.gz RCOAZYWMSNFTIQ-UHFFFAOYSA-N 1 0 269.146 2.175 10 0 CEAERO COCC[C@H]([NH3+])C(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000052790767 521948608 /nfs/dbraw/zinc/94/86/08/521948608.db2.gz GJTRVDBITMCNOH-QMMMGPOBSA-N 1 0 299.783 2.252 10 0 CEAERO COCC[C@H]([NH3+])c1nc(-c2c(F)cccc2F)c[nH]1 ZINC000052811233 521951283 /nfs/dbraw/zinc/95/12/83/521951283.db2.gz RMCMAPVYKAZIBG-JTQLQIEISA-N 1 0 267.279 2.391 10 0 CEAERO COCC[C@H]([NH3+])Cc1cc(Br)ccc1OC ZINC000049599988 521952286 /nfs/dbraw/zinc/95/22/86/521952286.db2.gz VAVQIRNVLLZYET-NSHDSACASA-N 1 0 288.185 2.364 10 0 CEAERO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccc2c(c1)OCO2 ZINC000061675087 521955551 /nfs/dbraw/zinc/95/55/51/521955551.db2.gz UHNYPRFNJINKAM-AGUYFDCRSA-N 1 0 274.364 2.130 10 0 CEAERO C[NH2+]CCC1CCN(c2cc3ccccc3c(=O)[nH]2)CC1 ZINC000070190223 521984778 /nfs/dbraw/zinc/98/47/78/521984778.db2.gz FOZKQUMNZQRYDM-UHFFFAOYSA-N 1 0 285.391 2.354 10 0 CEAERO C[NH2+]CCCc1c(C)nc(N2CCCCC2)nc1C ZINC000054837445 522000982 /nfs/dbraw/zinc/00/09/82/522000982.db2.gz BGLAOIZLCGITKZ-UHFFFAOYSA-N 1 0 262.401 2.236 10 0 CEAERO C[NH2+]CCCc1nnc(-c2cncc(Br)c2)o1 ZINC000050616711 522002066 /nfs/dbraw/zinc/00/20/66/522002066.db2.gz DZNHJZYZNVPWBD-UHFFFAOYSA-N 1 0 297.156 2.046 10 0 CEAERO CC[C@H](C)[C@H]1C[NH2+][C@H](C(C)C)CN1Cc1cnn(C)c1 ZINC000068703223 522008838 /nfs/dbraw/zinc/00/88/38/522008838.db2.gz FGTPLWUVUJSYCV-CWRNSKLLSA-N 1 0 278.444 2.265 10 0 CEAERO C[NH2+]C[C@@H](OCCOC(C)C)c1ccccc1OC ZINC000050495341 522036103 /nfs/dbraw/zinc/03/61/03/522036103.db2.gz XMMGEHZQIOOQSC-OAHLLOKOSA-N 1 0 267.369 2.397 10 0 CEAERO COC(=O)c1ccc(C[NH2+][C@H](C)[C@H]2CCCO2)cc1F ZINC000183156645 522038749 /nfs/dbraw/zinc/03/87/49/522038749.db2.gz JBKMFSLFLWIWJU-QMTHXVAHSA-N 1 0 281.327 2.269 10 0 CEAERO C[NH2+]C[C@@H]1CC[C@H](CN(C)c2cccc(F)c2)O1 ZINC000052544552 522060096 /nfs/dbraw/zinc/06/00/96/522060096.db2.gz ICEXWKJJVNFAIM-UONOGXRCSA-N 1 0 252.333 2.029 10 0 CEAERO C[NH2+]C[C@@H]1CC[C@H](COCc2ccccc2F)O1 ZINC000069286248 522062580 /nfs/dbraw/zinc/06/25/80/522062580.db2.gz AGZHPYAXFSCOTN-QWHCGFSZSA-N 1 0 253.317 2.109 10 0 CEAERO C[NH2+]C[C@H](C(C)C)N1CCN(c2cccc(OC)c2)CC1 ZINC000052423654 522064471 /nfs/dbraw/zinc/06/44/71/522064471.db2.gz SYLBIQAGBQRBRB-QGZVFWFLSA-N 1 0 291.439 2.061 10 0 CEAERO C[NH2+]C[C@H](C)CN1CCN(c2ccccc2Cl)CC1 ZINC000052443380 522070589 /nfs/dbraw/zinc/07/05/89/522070589.db2.gz ZYBPSKXPUMXNHJ-ZDUSSCGKSA-N 1 0 281.831 2.318 10 0 CEAERO C[NH2+]C[C@H](Cc1ccc(C)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000052950226 522073825 /nfs/dbraw/zinc/07/38/25/522073825.db2.gz GOIHUSHYRFKIJR-CVEARBPZSA-N 1 0 295.448 2.116 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1Cc1cc(F)ccc1OC ZINC000063169082 522080044 /nfs/dbraw/zinc/08/00/44/522080044.db2.gz AOLPDSIXPARMMB-CQSZACIVSA-N 1 0 266.360 2.408 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(C(=O)C(CC)(CC)C(N)=S)CC1 ZINC000055080371 522109146 /nfs/dbraw/zinc/10/91/46/522109146.db2.gz GXKKBUGUAWCGNZ-GFCCVEGCSA-N 1 0 299.484 2.022 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc(C)c(N)c2)CC1 ZINC000055063452 522115321 /nfs/dbraw/zinc/11/53/21/522115321.db2.gz JTKQMRPWAHLKPZ-CYBMUJFWSA-N 1 0 275.396 2.134 10 0 CEAERO CCc1csc([C@H]2CCC[N@H+](CCC(=O)OC)C2)n1 ZINC000157817555 522118231 /nfs/dbraw/zinc/11/82/31/522118231.db2.gz YPNUJEUWDLRVSQ-NSHDSACASA-N 1 0 282.409 2.448 10 0 CEAERO C[NH2+]Cc1ccc(OCCN2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000052540246 522121766 /nfs/dbraw/zinc/12/17/66/522121766.db2.gz AMQTWPGGRRCBSA-DLBZAZTESA-N 1 0 290.407 2.038 10 0 CEAERO C[NH2+]Cc1ccc(OCC(C)(C)O)c(Br)c1 ZINC000062700837 522122884 /nfs/dbraw/zinc/12/28/84/522122884.db2.gz RPTJHUNMIOUGRE-UHFFFAOYSA-N 1 0 288.185 2.318 10 0 CEAERO CC[C@H](CC[NH3+])NC(=O)c1cccc2cccnc21 ZINC000061410669 522128762 /nfs/dbraw/zinc/12/87/62/522128762.db2.gz MKENAABBLMILHT-GFCCVEGCSA-N 1 0 257.337 2.092 10 0 CEAERO CC[C@@H](C)N1CC[NH+]([C@H]2CCCCC[C@@H]2O)CC1 ZINC000055069776 522130859 /nfs/dbraw/zinc/13/08/59/522130859.db2.gz LQETYSAFNPJACY-ILXRZTDVSA-N 1 0 254.418 2.096 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(c2cc(C)nc(Cl)n2)CC1 ZINC000055084619 522133524 /nfs/dbraw/zinc/13/35/24/522133524.db2.gz QGSUUKUTEWCAKY-LLVKDONJSA-N 1 0 268.792 2.359 10 0 CEAERO COC[C@@H](C)N(C)c1ncc(C[NH2+]CC(C)C)s1 ZINC000054906744 522222236 /nfs/dbraw/zinc/22/22/36/522222236.db2.gz ZRIVOSLMLXHDJX-LLVKDONJSA-N 1 0 271.430 2.360 10 0 CEAERO COC[C@@H](C)[NH2+]CCn1cc(-c2ccccc2)cn1 ZINC000054962377 522250015 /nfs/dbraw/zinc/25/00/15/522250015.db2.gz MUISRCPMKBVNMB-CYBMUJFWSA-N 1 0 259.353 2.175 10 0 CEAERO CN(C)c1cccc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000051358850 522256886 /nfs/dbraw/zinc/25/68/86/522256886.db2.gz ACBYLOIZGSWSAM-JKSUJKDBSA-N 1 0 287.407 2.109 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(OC)c(C)c1 ZINC000049531986 522302752 /nfs/dbraw/zinc/30/27/52/522302752.db2.gz CLRNWNHDQXUCBS-NOZJJQNGSA-N 1 0 250.342 2.316 10 0 CEAERO CC[C@H]([NH3+])Cc1cnn(Cc2ncc(C)c(OC)c2C)c1 ZINC000054741573 522334789 /nfs/dbraw/zinc/33/47/89/522334789.db2.gz FOEZKZQLSBBHSV-AWEZNQCLSA-N 1 0 288.395 2.232 10 0 CEAERO CC[C@H]([NH3+])Cc1ccnc(Cc2cccc(OC)c2)n1 ZINC000054834991 522334853 /nfs/dbraw/zinc/33/48/53/522334853.db2.gz UIPRCVHXHRTHLK-ZDUSSCGKSA-N 1 0 271.364 2.356 10 0 CEAERO C[NH2+][C@@H](CCn1c2ccccc2c2ccccc21)C(N)=O ZINC000062535879 522350559 /nfs/dbraw/zinc/35/05/59/522350559.db2.gz YKFPJVLSBHMOEQ-AWEZNQCLSA-N 1 0 281.359 2.258 10 0 CEAERO C[NH2+][C@@H](c1ccc2c(c1)CCC(=O)N2)C1CCOCC1 ZINC000061671665 522369015 /nfs/dbraw/zinc/36/90/15/522369015.db2.gz YTGKZAZHPYNSIV-MRXNPFEDSA-N 1 0 274.364 2.258 10 0 CEAERO C[NH2+][C@@H](c1ccc2c(c1)OCCO2)[C@H]1CCCOC1 ZINC000062231279 522372860 /nfs/dbraw/zinc/37/28/60/522372860.db2.gz GVQRICWRVOXCCZ-WFASDCNBSA-N 1 0 263.337 2.145 10 0 CEAERO CCc1nc(N2C[C@H](C)OC[C@@H]2C)sc1C[NH2+]C ZINC000054997278 522389319 /nfs/dbraw/zinc/38/93/19/522389319.db2.gz ZCHPMHJZJYOQAA-UWVGGRQHSA-N 1 0 269.414 2.039 10 0 CEAERO C[NH2+][C@@H]1CCCc2nc(N3CCOCC3(C)C)sc21 ZINC000054909174 522390918 /nfs/dbraw/zinc/39/09/18/522390918.db2.gz HKDMDDKTMMARPY-SNVBAGLBSA-N 1 0 281.425 2.355 10 0 CEAERO C[NH2+][C@@H]1CCN(Cc2ccccc2C(F)(F)F)C1=O ZINC000061626928 522394710 /nfs/dbraw/zinc/39/47/10/522394710.db2.gz LYZMFDKTZCQGND-LLVKDONJSA-N 1 0 272.270 2.026 10 0 CEAERO C[NH2+][C@@H]1COc2cc(OCc3cscn3)ccc21 ZINC000062804181 522401399 /nfs/dbraw/zinc/40/13/99/522401399.db2.gz HPWBHMHVKDBQHX-GFCCVEGCSA-N 1 0 262.334 2.375 10 0 CEAERO C[NH2+][C@@](C)(CCCSC1CCCCC1)C(N)=O ZINC000045593509 522411790 /nfs/dbraw/zinc/41/17/90/522411790.db2.gz FEAOHHWDWOAGKS-ZDUSSCGKSA-N 1 0 258.431 2.296 10 0 CEAERO C[NH2+][C@H](C)c1ccc(C)cc1OCCC(=O)OC ZINC000069317763 522447541 /nfs/dbraw/zinc/44/75/41/522447541.db2.gz SHJOKUGBQMYBMR-LLVKDONJSA-N 1 0 251.326 2.217 10 0 CEAERO C[NH2+][C@H](C)c1cccc(NC(=O)N2CCCC[C@H]2CO)c1 ZINC000048859465 522451512 /nfs/dbraw/zinc/45/15/12/522451512.db2.gz RBQQUPHUXPARNI-DOMZBBRYSA-N 1 0 291.395 2.346 10 0 CEAERO C[NH2+][C@H](c1cc(OC)c(OC)cc1F)[C@H]1CCOC1 ZINC000061561009 522477536 /nfs/dbraw/zinc/47/75/36/522477536.db2.gz XSVMVZHGLMOHEG-XPTSAGLGSA-N 1 0 269.316 2.140 10 0 CEAERO C[NH2+][C@H](c1cc(OC)c(OC)cc1C)[C@H]1CCOC1 ZINC000048626227 522478458 /nfs/dbraw/zinc/47/84/58/522478458.db2.gz UAKYBNDQOAIBBU-NHYWBVRUSA-N 1 0 265.353 2.309 10 0 CEAERO C[NH2+][C@H](c1ccc(OC)c(OC)c1)c1ccccn1 ZINC000055222921 522479057 /nfs/dbraw/zinc/47/90/57/522479057.db2.gz ITYYKRNOGCYMEZ-OAHLLOKOSA-N 1 0 258.321 2.408 10 0 CEAERO C[NH2+][C@H](c1ccc2c(c1)CCC(=O)N2C)[C@@H]1CCCO1 ZINC000062806586 522482911 /nfs/dbraw/zinc/48/29/11/522482911.db2.gz PWASLMXQXZHRLR-GOEBONIOSA-N 1 0 274.364 2.035 10 0 CEAERO C[NH2+][C@H](c1ccc2c(c1)CCC(=O)N2C)[C@H]1CCCOC1 ZINC000062806540 522482926 /nfs/dbraw/zinc/48/29/26/522482926.db2.gz JICWTBOXFSGTDD-WMLDXEAASA-N 1 0 288.391 2.283 10 0 CEAERO COc1cc(C[NH2+][C@H](C)CC(C)(C)OC)ccn1 ZINC000062057921 522485013 /nfs/dbraw/zinc/48/50/13/522485013.db2.gz ZDVZDDUHMVDXAK-LLVKDONJSA-N 1 0 252.358 2.383 10 0 CEAERO CCc1nc2ccccc2n1[C@@H](C)C[C@@](C)([NH2+]C)C(N)=O ZINC000068650219 522504980 /nfs/dbraw/zinc/50/49/80/522504980.db2.gz RRFKXJGTTPNYAL-MEDUHNTESA-N 1 0 288.395 2.013 10 0 CEAERO C[NH2+][C@H]1CCc2c1cccc2O[C@H](C)C(=O)NC(C)C ZINC000062799292 522507146 /nfs/dbraw/zinc/50/71/46/522507146.db2.gz KXSQDNXNPDFRNH-RISCZKNCSA-N 1 0 276.380 2.185 10 0 CEAERO CC[C@H](NC(=O)[C@H]1Cc2ccccc2C[NH2+]1)C(C)C ZINC000049146934 522517739 /nfs/dbraw/zinc/51/77/39/522517739.db2.gz PDSNALIAAVXQTH-LSDHHAIUSA-N 1 0 260.381 2.252 10 0 CEAERO CNc1c(F)cccc1C(=O)NCC(C)(C)C[NH+](C)C ZINC000054204478 522544753 /nfs/dbraw/zinc/54/47/53/522544753.db2.gz ABXXZXKMUBAZLJ-UHFFFAOYSA-N 1 0 281.375 2.185 10 0 CEAERO CNc1ccc(C)cc1C(=O)N[C@@H](C)CC[NH+](C)C ZINC000053004951 522603917 /nfs/dbraw/zinc/60/39/17/522603917.db2.gz SMFJZORHXLCRHU-LBPRGKRZSA-N 1 0 263.385 2.107 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccnc(Cc2ccc(F)cc2)n1 ZINC000054834898 522644803 /nfs/dbraw/zinc/64/48/03/522644803.db2.gz VTDOSQDVHNOSJK-CYBMUJFWSA-N 1 0 259.328 2.486 10 0 CEAERO CC[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000061677396 522646565 /nfs/dbraw/zinc/64/65/65/522646565.db2.gz VHUAICDEPHPFLO-JTQLQIEISA-N 1 0 260.259 2.059 10 0 CEAERO CC[C@@H]([NH3+])Cc1nccn1Cc1ncc(C)c(OC)c1C ZINC000062803074 522646662 /nfs/dbraw/zinc/64/66/62/522646662.db2.gz GLPLFGAUULLYSC-CYBMUJFWSA-N 1 0 288.395 2.232 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C1CC1)C(C)(C)C ZINC000061594617 522648405 /nfs/dbraw/zinc/64/84/05/522648405.db2.gz FZYJAKUIKCAAJQ-NXEZZACHSA-N 1 0 284.429 2.150 10 0 CEAERO CC[C@@H](NC(=O)[C@@H]([NH3+])CCSC)c1cccs1 ZINC000049532153 522760361 /nfs/dbraw/zinc/76/03/61/522760361.db2.gz IXJSLAGTDYJYQZ-VHSXEESVSA-N 1 0 272.439 2.396 10 0 CEAERO COC[C@H](O)COc1ccc(C)cc1C[NH2+]C(C)(C)C ZINC000069053991 522806265 /nfs/dbraw/zinc/80/62/65/522806265.db2.gz XKRXHGUURGGIMH-AWEZNQCLSA-N 1 0 281.396 2.269 10 0 CEAERO CN(CC[NH+]1CCCC1)c1ccc(Cl)cc1N ZINC000063051601 522832937 /nfs/dbraw/zinc/83/29/37/522832937.db2.gz JNNUKVVCSZEEEU-UHFFFAOYSA-N 1 0 253.777 2.454 10 0 CEAERO CC[C@H](Oc1ccc2ccccc2c1C[NH2+]C)C(N)=O ZINC000061675936 522879529 /nfs/dbraw/zinc/87/95/29/522879529.db2.gz NXAYBLXTAUNNOX-AWEZNQCLSA-N 1 0 272.348 2.202 10 0 CEAERO COC[C@](C)([NH3+])Cc1ccc(OC)c(Br)c1 ZINC000053173635 522882678 /nfs/dbraw/zinc/88/26/78/522882678.db2.gz ANCUKLQLRJVJQU-GFCCVEGCSA-N 1 0 288.185 2.364 10 0 CEAERO C[N@H+](CCOCC(F)(F)F)Cc1ccccc1N ZINC000049311273 522887926 /nfs/dbraw/zinc/88/79/26/522887926.db2.gz MVRFLBMPUVDDGG-UHFFFAOYSA-N 1 0 262.275 2.280 10 0 CEAERO COCC1CCN([C@@H](C[NH3+])c2cc(F)ccc2F)CC1 ZINC000070080571 522937170 /nfs/dbraw/zinc/93/71/70/522937170.db2.gz SOPYVXBBYQVWEX-HNNXBMFYSA-N 1 0 284.350 2.323 10 0 CEAERO COc1cc([C@H](C)N[C@@H](C)CC[NH+](C)C)ccc1O ZINC000049553291 522945976 /nfs/dbraw/zinc/94/59/76/522945976.db2.gz MUOXBJYOWBBUPT-RYUDHWBXSA-N 1 0 266.385 2.392 10 0 CEAERO CC[C@@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1=O)c1cccs1 ZINC000049529734 522945616 /nfs/dbraw/zinc/94/56/16/522945616.db2.gz XBZPUUTYGPWBIG-MNOVXSKESA-N 1 0 278.377 2.079 10 0 CEAERO COc1cc([C@H](C)N[C@H](C)CC[NH+](C)C)ccc1O ZINC000049553292 522948496 /nfs/dbraw/zinc/94/84/96/522948496.db2.gz MUOXBJYOWBBUPT-NEPJUHHUSA-N 1 0 266.385 2.392 10 0 CEAERO CCc1oc2ccccc2c1[C@@H]([NH3+])[C@@H]1COCCO1 ZINC000061876846 523010227 /nfs/dbraw/zinc/01/02/27/523010227.db2.gz MJGHZQHMXQNZBR-ZFWWWQNUSA-N 1 0 261.321 2.410 10 0 CEAERO CC[C@H]1CCCC[N@@H+]1CC[C@H](NC(C)C)C(=O)OC ZINC000062446211 523030069 /nfs/dbraw/zinc/03/00/69/523030069.db2.gz GAXXMBSXCRUMOP-KBPBESRZSA-N 1 0 270.417 2.181 10 0 CEAERO CC[C@@H](Oc1c(C)cc(C[C@@H]([NH3+])CC)cc1C)C(N)=O ZINC000061678341 523036053 /nfs/dbraw/zinc/03/60/53/523036053.db2.gz YAQHXWZNENLPLI-UONOGXRCSA-N 1 0 278.396 2.226 10 0 CEAERO CC[C@@H](Oc1ccc(Cl)cc1[C@@H](C)[NH3+])C(N)=O ZINC000061676041 523042417 /nfs/dbraw/zinc/04/24/17/523042417.db2.gz KCPNGWWYHXMWIS-GMSGAONNSA-N 1 0 256.733 2.002 10 0 CEAERO CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000049120922 523046083 /nfs/dbraw/zinc/04/60/83/523046083.db2.gz DNSIXLSEVIKKEU-ZFWWWQNUSA-N 1 0 296.436 2.392 10 0 CEAERO CC[C@H]1CCCC[C@H]1n1nnnc1C[NH2+]C(C)C ZINC000054748048 523069049 /nfs/dbraw/zinc/06/90/49/523069049.db2.gz PRHWMNKVTKXVRO-NWDGAFQWSA-N 1 0 251.378 2.312 10 0 CEAERO COCc1ccccc1NC(=O)[C@@H]1CCC[C@H](C)[NH2+]1 ZINC000049512015 523121402 /nfs/dbraw/zinc/12/14/02/523121402.db2.gz GSUHVKSIATXVNM-FZMZJTMJSA-N 1 0 262.353 2.302 10 0 CEAERO CCn1c(CN2CC[NH2+]CC2)nc2cccc(Cl)c21 ZINC000051640044 523191575 /nfs/dbraw/zinc/19/15/75/523191575.db2.gz ZBOLHRXRTQHJIA-UHFFFAOYSA-N 1 0 278.787 2.115 10 0 CEAERO CCn1c(S[C@@H](c2ccc(C)cc2)[C@@H](C)[NH3+])n[nH]c1=O ZINC000061594180 523244602 /nfs/dbraw/zinc/24/46/02/523244602.db2.gz ZZXBRAIMDQFPAF-ZYHUDNBSSA-N 1 0 292.408 2.080 10 0 CEAERO CC[C@H]1CN(c2cc(Cl)ccc2C(N)=[NH2+])CCO1 ZINC000062788811 523304931 /nfs/dbraw/zinc/30/49/31/523304931.db2.gz FRGSNNUGIDSDIZ-JTQLQIEISA-N 1 0 267.760 2.239 10 0 CEAERO CN(Cc1cccc(F)c1)c1ncc(C[NH3+])s1 ZINC000054894829 523314829 /nfs/dbraw/zinc/31/48/29/523314829.db2.gz RGKQMBUMUMHKDQ-UHFFFAOYSA-N 1 0 251.330 2.377 10 0 CEAERO CC[C@H]1CN[C@@H](C(C)C)C[N@@H+]1CC1CCOCC1 ZINC000068695335 523322307 /nfs/dbraw/zinc/32/23/07/523322307.db2.gz NYOULYGJHBCVMB-LSDHHAIUSA-N 1 0 254.418 2.121 10 0 CEAERO CO[C@@H](C(=O)N[C@@H](C)[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000050437525 523327903 /nfs/dbraw/zinc/32/79/03/523327903.db2.gz CWRNGSUXBQSIIW-AEGPPILISA-N 1 0 276.380 2.021 10 0 CEAERO CC[C@H]1COCCN1Cc1occc1C[NH2+]C1CC1 ZINC000052481434 523335156 /nfs/dbraw/zinc/33/51/56/523335156.db2.gz GIVISFBLKXNPDG-AWEZNQCLSA-N 1 0 264.369 2.142 10 0 CEAERO CC[C@H]1CO[C@H](C)CN1CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052197585 523352344 /nfs/dbraw/zinc/35/23/44/523352344.db2.gz ZVXXFPIGOCYQAO-ZBFHGGJFSA-N 1 0 296.455 2.035 10 0 CEAERO CCn1cc(CN(C)C2(C[NH3+])CCCCCC2)cn1 ZINC000050539266 523365347 /nfs/dbraw/zinc/36/53/47/523365347.db2.gz RRPFLAMOFIIXQM-UHFFFAOYSA-N 1 0 264.417 2.387 10 0 CEAERO CCn1cc(CN2CCC[C@H]2C[NH2+]CC(C)C)cn1 ZINC000053650245 523370912 /nfs/dbraw/zinc/37/09/12/523370912.db2.gz AZUPMSZCTKXSGY-HNNXBMFYSA-N 1 0 264.417 2.113 10 0 CEAERO COCCC[NH2+]CCOCc1ccccc1Cl ZINC000053551110 523372877 /nfs/dbraw/zinc/37/28/77/523372877.db2.gz MTQPZJWMDGXMGH-UHFFFAOYSA-N 1 0 257.761 2.483 10 0 CEAERO C[N@H+](Cc1cccnc1C(N)=S)C1CCCCC1 ZINC000061659652 523421452 /nfs/dbraw/zinc/42/14/52/523421452.db2.gz CRGVFRVHCQAVML-UHFFFAOYSA-N 1 0 263.410 2.480 10 0 CEAERO CC[C@@H]1CO[C@@H](C)CN1[C@@H]1C[NH2+]Cc2ccccc21 ZINC000069266131 523507699 /nfs/dbraw/zinc/50/76/99/523507699.db2.gz ZEALLKRYSMKHKZ-JGGQBBKZSA-N 1 0 260.381 2.330 10 0 CEAERO CC[C@@H]1CO[C@H](C)CN1CC[NH2+]Cc1ccccc1 ZINC000053441767 523514987 /nfs/dbraw/zinc/51/49/87/523514987.db2.gz JDVVMUSAXQGNFO-GDBMZVCRSA-N 1 0 262.397 2.276 10 0 CEAERO CC[C@](CCS(=O)(=O)CC)(C[NH2+]C)c1ccccc1 ZINC000054659177 523524179 /nfs/dbraw/zinc/52/41/79/523524179.db2.gz SCZXWXXLTQCWHJ-HNNXBMFYSA-N 1 0 283.437 2.379 10 0 CEAERO CC[C@]1(C(=O)N(C)c2ccc(OC)cc2)CC[NH2+]C1 ZINC000062903068 523533984 /nfs/dbraw/zinc/53/39/84/523533984.db2.gz QOTXMBHZPBHBBQ-HNNXBMFYSA-N 1 0 262.353 2.048 10 0 CEAERO CCn1ccnc1Cn1nc(C)c(C[NH2+]C2CC2)c1C ZINC000054743860 523548482 /nfs/dbraw/zinc/54/84/82/523548482.db2.gz FNLNEZQNQOFPIN-UHFFFAOYSA-N 1 0 273.384 2.017 10 0 CEAERO CCn1ccnc1[C@H](Cc1ccc(OC)cc1)[NH2+]C ZINC000069497951 523555140 /nfs/dbraw/zinc/55/51/40/523555140.db2.gz FYHHYDIAINJCNO-AWEZNQCLSA-N 1 0 259.353 2.415 10 0 CEAERO CN(Cc1nccn1C)[C@@H](C[NH3+])c1cc2ccccc2o1 ZINC000068811993 523593798 /nfs/dbraw/zinc/59/37/98/523593798.db2.gz FYEUWVHDPLOCCM-ZDUSSCGKSA-N 1 0 284.363 2.298 10 0 CEAERO COCCN(C)CC[NH2+][C@@H]1CSCc2ccccc21 ZINC000061377468 523609919 /nfs/dbraw/zinc/60/99/19/523609919.db2.gz CCDGRYILYOPWCD-OAHLLOKOSA-N 1 0 280.437 2.142 10 0 CEAERO CN1CCC([N@H+](C)[C@@H](CC(N)=S)c2ccccc2)CC1 ZINC000055024494 523623928 /nfs/dbraw/zinc/62/39/28/523623928.db2.gz LYSHZDZBVCYFRR-HNNXBMFYSA-N 1 0 291.464 2.430 10 0 CEAERO CO[C@@H]1CCC[C@H](OC(=O)c2cccc(C[NH3+])c2)C1 ZINC000070323601 523648471 /nfs/dbraw/zinc/64/84/71/523648471.db2.gz MSSGPDZEOFFNGP-KGLIPLIRSA-N 1 0 263.337 2.260 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]CCc2cnn(C)c2)c1C ZINC000148796923 523663831 /nfs/dbraw/zinc/66/38/31/523663831.db2.gz AURDVLXOHHDQTK-NSHDSACASA-N 1 0 275.400 2.147 10 0 CEAERO CC[C@@]1(C(=O)N(Cc2ccccn2)C(C)C)CC[NH2+]C1 ZINC000062895838 523690340 /nfs/dbraw/zinc/69/03/40/523690340.db2.gz DZYNZSCWWFPTPF-MRXNPFEDSA-N 1 0 275.396 2.208 10 0 CEAERO CC[C@@]1(C(=O)Nc2ccc3nccnc3c2)CCC[NH2+]C1 ZINC000062856203 523698321 /nfs/dbraw/zinc/69/83/21/523698321.db2.gz PTPTUKSYKRQIFH-MRXNPFEDSA-N 1 0 284.363 2.348 10 0 CEAERO COc1ccc(C(=O)NC[C@@H]2CCC[C@@H](C)[NH2+]2)cc1F ZINC000061668788 523707127 /nfs/dbraw/zinc/70/71/27/523707127.db2.gz DVUIEDPZLGSQRQ-PWSUYJOCSA-N 1 0 280.343 2.095 10 0 CEAERO COc1ccc(C)cc1C(=O)N1C[C@@H]2C[C@@H]([NH3+])CC[C@@H]2C1 ZINC000052943806 523801182 /nfs/dbraw/zinc/80/11/82/523801182.db2.gz WFPMDWLBCCSXOI-RDBSUJKOSA-N 1 0 288.391 2.203 10 0 CEAERO COc1ccc(C)cc1C[N@H+](C)C[C@@H](C)C(N)=S ZINC000050704074 523807524 /nfs/dbraw/zinc/80/75/24/523807524.db2.gz GSSHUFHJWKACRB-LLVKDONJSA-N 1 0 266.410 2.358 10 0 CEAERO COC(=O)[C@@](C)(C[C@@H](C)[NH+]1CCCCC1)NC(C)C ZINC000068620294 523814681 /nfs/dbraw/zinc/81/46/81/523814681.db2.gz SFTAQPRJJARDDM-UKRRQHHQSA-N 1 0 270.417 2.181 10 0 CEAERO COC(=O)[C@@](C[N@H+](C)CC1CCCC1)(NC1CC1)C1CC1 ZINC000069233238 523822482 /nfs/dbraw/zinc/82/24/82/523822482.db2.gz LSNZJQCZNDMQSQ-KRWDZBQOSA-N 1 0 294.439 2.182 10 0 CEAERO COC(=O)[C@@](C[NH+]1CCC(C)(C)CC1)(NC(C)C)C1CC1 ZINC000069232048 523822744 /nfs/dbraw/zinc/82/27/44/523822744.db2.gz UIPBTUMCJVGPLW-KRWDZBQOSA-N 1 0 296.455 2.428 10 0 CEAERO CN(C(=O)C[C@@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC000054292601 523842878 /nfs/dbraw/zinc/84/28/78/523842878.db2.gz LYAMWCOJJDGDLP-NSHDSACASA-N 1 0 250.317 2.178 10 0 CEAERO C[N@@H+]1CCC[C@H](Nc2ccc(C(N)=S)cc2Cl)C1 ZINC000062795375 523843664 /nfs/dbraw/zinc/84/36/64/523843664.db2.gz VBKZMOQVNNWPSF-JTQLQIEISA-N 1 0 283.828 2.480 10 0 CEAERO COc1ccc(CC2(C[NH3+])CCOCC2)cc1F ZINC000061673909 523914025 /nfs/dbraw/zinc/91/40/25/523914025.db2.gz XZQDLIRBZYALAW-UHFFFAOYSA-N 1 0 253.317 2.132 10 0 CEAERO COc1ccc(CC[NH3+])cc1OCCOC(C)C ZINC000049261025 523941632 /nfs/dbraw/zinc/94/16/32/523941632.db2.gz GUXIQSAREHYBKR-UHFFFAOYSA-N 1 0 253.342 2.000 10 0 CEAERO COCC[NH2+]C[C@@]1(Cc2cc(C)ccc2C)CCOC1 ZINC000054666506 523943010 /nfs/dbraw/zinc/94/30/10/523943010.db2.gz UHLGTZSDZOVWQA-KRWDZBQOSA-N 1 0 277.408 2.489 10 0 CEAERO COCC[NH2+]C[C@](C)(O)c1ccc(C(C)(C)C)cc1 ZINC000055033685 523945039 /nfs/dbraw/zinc/94/50/39/523945039.db2.gz NYRPEJWGUBROKC-INIZCTEOSA-N 1 0 265.397 2.428 10 0 CEAERO COCC[NH2+]C[C@]1(Cc2cccc(C)c2)CCOC1 ZINC000054666384 523945838 /nfs/dbraw/zinc/94/58/38/523945838.db2.gz RWBRQBVNMICJQT-MRXNPFEDSA-N 1 0 263.381 2.180 10 0 CEAERO COCC[NH2+]C[C@]1(Cc2ccc(C)c(C)c2)CCOC1 ZINC000054666618 523946302 /nfs/dbraw/zinc/94/63/02/523946302.db2.gz XSSSBKAFBJZWPM-QGZVFWFLSA-N 1 0 277.408 2.489 10 0 CEAERO COCC[NH2+]Cc1cnc(-c2cc(F)c(F)c(F)c2)nc1 ZINC000054856877 523955958 /nfs/dbraw/zinc/95/59/58/523955958.db2.gz RNOUOHVBRIEEGD-UHFFFAOYSA-N 1 0 297.280 2.297 10 0 CEAERO CC[C@H](C)[NH+]1CCN(c2ccc(CO)cc2C)CC1 ZINC000055068059 523960140 /nfs/dbraw/zinc/96/01/40/523960140.db2.gz NXMTZCBWRUBAKW-AWEZNQCLSA-N 1 0 262.397 2.408 10 0 CEAERO CC[C@H](C)[NH+]1CCN(c2nc(Cl)nc(Cl)n2)CC1 ZINC000061519256 523962223 /nfs/dbraw/zinc/96/22/23/523962223.db2.gz KSDCMFWOJBYBBO-QMMMGPOBSA-N 1 0 290.198 2.099 10 0 CEAERO CO[C@H]1CCC[C@@H](OC(=O)CC[C@@H]2CCCC[NH2+]2)C1 ZINC000070323608 523977281 /nfs/dbraw/zinc/97/72/81/523977281.db2.gz FSQOLRKQSHPWPA-MELADBBJSA-N 1 0 269.385 2.410 10 0 CEAERO COC(=O)[C@](C)([NH3+])CCCn1cc(-c2ccccc2)cn1 ZINC000054961853 524001419 /nfs/dbraw/zinc/00/14/19/524001419.db2.gz FMEBOVJIIVOITM-MRXNPFEDSA-N 1 0 287.363 2.221 10 0 CEAERO CCc1ccc([C@@H](Cn2ccc(=O)cc2)[NH2+]C)cc1 ZINC000061627810 524032329 /nfs/dbraw/zinc/03/23/29/524032329.db2.gz IAWAMUQLKXOACE-MRXNPFEDSA-N 1 0 256.349 2.371 10 0 CEAERO COc1ccc(CN2CC[NH2+]C3(CCCC3)C2)cc1 ZINC000068693294 524035053 /nfs/dbraw/zinc/03/50/53/524035053.db2.gz ZBLIONBUZYVMRS-UHFFFAOYSA-N 1 0 260.381 2.413 10 0 CEAERO C[NH+](C)C1CCN(c2nc(C3CC3)c(C=O)s2)CC1 ZINC000069180701 524041000 /nfs/dbraw/zinc/04/10/00/524041000.db2.gz LQARDCZBOFOJKJ-UHFFFAOYSA-N 1 0 279.409 2.363 10 0 CEAERO C[NH+](C)C1CCN(c2nc(C3CC3)c(CO)s2)CC1 ZINC000069182691 524041028 /nfs/dbraw/zinc/04/10/28/524041028.db2.gz CKJZKZFHVFGBSJ-UHFFFAOYSA-N 1 0 281.425 2.043 10 0 CEAERO CNC(=O)CCC[N@H+](Cc1ccccc1N)C(C)C ZINC000068818978 524063688 /nfs/dbraw/zinc/06/36/88/524063688.db2.gz PWTGNFSZRBCRFG-UHFFFAOYSA-N 1 0 263.385 2.005 10 0 CEAERO CNC(=O)CCCOc1ccc(Cl)cc1[C@@H](C)[NH3+] ZINC000068816667 524065625 /nfs/dbraw/zinc/06/56/25/524065625.db2.gz QJCJWLUKQBTVPP-SECBINFHSA-N 1 0 270.760 2.265 10 0 CEAERO COc1ccc(C[NH2+]C(C)(C)C)cc1OC[C@@H](C)O ZINC000062732452 524068678 /nfs/dbraw/zinc/06/86/78/524068678.db2.gz IROORVAVNNOXDW-LLVKDONJSA-N 1 0 267.369 2.343 10 0 CEAERO COc1ccc(COC[C@H]2CCCC[NH2+]2)cc1F ZINC000051815855 524117789 /nfs/dbraw/zinc/11/77/89/524117789.db2.gz BJUOHFTVIOUXNH-GFCCVEGCSA-N 1 0 253.317 2.493 10 0 CEAERO C[C@H]1CCC[C@@H](N(C)CC[NH2+]C2CCOCC2)C1 ZINC000062767786 524143060 /nfs/dbraw/zinc/14/30/60/524143060.db2.gz CKMPQUMFHIGROZ-DZGCQCFKSA-N 1 0 254.418 2.266 10 0 CEAERO C[C@@H]1CCCC[C@@H]1NC(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000051096535 524143445 /nfs/dbraw/zinc/14/34/45/524143445.db2.gz BZUYAZYQCXOIIE-KCJUWKMLSA-N 1 0 282.775 2.329 10 0 CEAERO C[C@H](CC[NH+](C)C)NCc1cc2c(c(Cl)c1)OCO2 ZINC000049553785 524163970 /nfs/dbraw/zinc/16/39/70/524163970.db2.gz XHSOWWCUJISECV-SNVBAGLBSA-N 1 0 284.787 2.499 10 0 CEAERO COc1cccc([C@H](O)[C@@H]([NH3+])CC(C)C)c1OC ZINC000054929261 524167509 /nfs/dbraw/zinc/16/75/09/524167509.db2.gz YVDQMKUUZTZBNF-AAEUAGOBSA-N 1 0 253.342 2.111 10 0 CEAERO C[C@H]1CCC[C@H](C)[NH+]1Cc1cccnc1C(N)=S ZINC000061659671 524191368 /nfs/dbraw/zinc/19/13/68/524191368.db2.gz CHWIPGYNMNMFNC-QWRGUYRKSA-N 1 0 263.410 2.479 10 0 CEAERO C[C@H](CC[NH2+]C1CC1)n1cc(Br)cn1 ZINC000052577636 524194559 /nfs/dbraw/zinc/19/45/59/524194559.db2.gz TTWOVTJQYXECIN-MRVPVSSYSA-N 1 0 258.163 2.349 10 0 CEAERO C[C@H](CC[NH2+]C(C)(C)C)N1CCN(CC(F)(F)F)CC1 ZINC000061948482 524194715 /nfs/dbraw/zinc/19/47/15/524194715.db2.gz CIFZICCQKZTIQU-GFCCVEGCSA-N 1 0 295.393 2.333 10 0 CEAERO COc1ccc(Cl)cc1C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000062672110 524195054 /nfs/dbraw/zinc/19/50/54/524195054.db2.gz JRVJUFUTEGGXSI-VHSXEESVSA-N 1 0 282.771 2.171 10 0 CEAERO Cc1cc(C(C)(C)C)ccc1OC[C@]([NH3+])(C(N)=O)C1CC1 ZINC000069198020 524201729 /nfs/dbraw/zinc/20/17/29/524201729.db2.gz GGHMKYZPAJYZOJ-QGZVFWFLSA-N 1 0 290.407 2.264 10 0 CEAERO Cc1ccc(C)c([C@H](O)C[N@H+]2CCC[C@@H]2CN(C)C)c1 ZINC000061652649 524211266 /nfs/dbraw/zinc/21/12/66/524211266.db2.gz ZSRIRMUHLNURCN-NVXWUHKLSA-N 1 0 276.424 2.363 10 0 CEAERO Cc1cc(C)c(C(=O)CN(C)C2CC[NH2+]CC2)c(C)c1 ZINC000050158797 524217479 /nfs/dbraw/zinc/21/74/79/524217479.db2.gz WMMLBEZWFJFUDS-UHFFFAOYSA-N 1 0 274.408 2.478 10 0 CEAERO C[C@@H]1CCCN(c2nc3ccccn3c2C[NH3+])[C@@H]1C ZINC000050566079 524248347 /nfs/dbraw/zinc/24/83/47/524248347.db2.gz XIJPNBBPCJTDCE-VXGBXAGGSA-N 1 0 258.369 2.418 10 0 CEAERO C[C@@H]1CCCN(c2cccc(Cl)c2C(N)=O)[C@@H]1C[NH3+] ZINC000070178643 524248906 /nfs/dbraw/zinc/24/89/06/524248906.db2.gz KZSNOZGCQMEHLC-BXKDBHETSA-N 1 0 281.787 2.003 10 0 CEAERO C[C@@H]1CCC[NH2+][C@@H]1C(=O)Nc1cccc(F)c1F ZINC000051793214 524262810 /nfs/dbraw/zinc/26/28/10/524262810.db2.gz QPTSCZUWEAEYLN-PELKAZGASA-N 1 0 254.280 2.291 10 0 CEAERO C[C@H]1CCN(C(=O)c2ccc(Cl)s2)C[C@H]1[NH3+] ZINC000069719297 524268737 /nfs/dbraw/zinc/26/87/37/524268737.db2.gz JCPIFEITXMFSMZ-JGVFFNPUSA-N 1 0 258.774 2.211 10 0 CEAERO C[C@H]1CCN(C(=O)c2cccc3ncccc32)C[C@H]1[NH3+] ZINC000070145926 524272835 /nfs/dbraw/zinc/27/28/35/524272835.db2.gz GHUSLLGEQZLFSQ-SMDDNHRTSA-N 1 0 269.348 2.044 10 0 CEAERO C[C@@H]1CCC[C@@H](CNC(=O)Cc2ccc(F)cc2)[NH2+]1 ZINC000051572918 524289645 /nfs/dbraw/zinc/28/96/45/524289645.db2.gz XEYRDSVYDDYBFI-RISCZKNCSA-N 1 0 264.344 2.015 10 0 CEAERO C[C@H](CN1CCCCC1)[NH2+][C@@H](C)C(=O)N1CCCCCC1 ZINC000049501680 524334053 /nfs/dbraw/zinc/33/40/53/524334053.db2.gz MBPATAJYGMKRFJ-CVEARBPZSA-N 1 0 295.471 2.242 10 0 CEAERO Cc1cccc(CC(=O)N[C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000063210534 524343765 /nfs/dbraw/zinc/34/37/65/524343765.db2.gz USMFPWSCLNHWOT-CABCVRRESA-N 1 0 260.381 2.314 10 0 CEAERO C[C@H]1CCc2ccccc2N1C(=O)c1ccc(NN)[nH+]c1 ZINC000051088887 524439460 /nfs/dbraw/zinc/43/94/60/524439460.db2.gz UNVBAPKHJDWQPD-NSHDSACASA-N 1 0 282.347 2.349 10 0 CEAERO Cc1cc(C)cc(S(=O)(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])c1 ZINC000063194170 524457006 /nfs/dbraw/zinc/45/70/06/524457006.db2.gz NXEPBWIZUIZJNU-HIFRSBDPSA-N 1 0 296.436 2.194 10 0 CEAERO Cc1cccc(CSC[C@@](C)([NH2+]C(C)C)C(N)=O)c1 ZINC000054966391 524461329 /nfs/dbraw/zinc/46/13/29/524461329.db2.gz CJLDHJSGGMGBHQ-OAHLLOKOSA-N 1 0 280.437 2.470 10 0 CEAERO COc1ccccc1Cc1ncc([C@@H](C)[NH3+])c(C)n1 ZINC000054962580 524518971 /nfs/dbraw/zinc/51/89/71/524518971.db2.gz JDRZNETWFGJDBL-SNVBAGLBSA-N 1 0 257.337 2.404 10 0 CEAERO Cc1cccc(N(CCC[NH3+])c2ccnc(N(C)C)n2)c1 ZINC000068689991 524525418 /nfs/dbraw/zinc/52/54/18/524525418.db2.gz YHDITKXWYBVHQZ-UHFFFAOYSA-N 1 0 285.395 2.338 10 0 CEAERO COc1ccccc1N(C)C[C@](CO)([NH2+]C(C)C)C1CC1 ZINC000070338053 524526204 /nfs/dbraw/zinc/52/62/04/524526204.db2.gz RPFNNPHMDVEJGV-QGZVFWFLSA-N 1 0 292.423 2.271 10 0 CEAERO Cc1ccc(CNC(=O)[C@@](C)([NH3+])c2ccccc2)cc1 ZINC000052881227 524544060 /nfs/dbraw/zinc/54/40/60/524544060.db2.gz NVRACTGEWQEFKB-KRWDZBQOSA-N 1 0 268.360 2.485 10 0 CEAERO Cc1ccc(C[NH2+]CCN(C)Cc2cnn(C)c2)s1 ZINC000053441293 524575826 /nfs/dbraw/zinc/57/58/26/524575826.db2.gz JVGVLQVWUCTGRH-UHFFFAOYSA-N 1 0 278.425 2.012 10 0 CEAERO C[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc(Cl)cc1N ZINC000049149111 524590282 /nfs/dbraw/zinc/59/02/82/524590282.db2.gz TULHUCIFLKNNLJ-JTQLQIEISA-N 1 0 281.787 2.136 10 0 CEAERO C[C@H]1C[N@H+](CCCOCC(F)(F)F)[C@@](C)(C2CC2)CN1 ZINC000068699459 524594505 /nfs/dbraw/zinc/59/45/05/524594505.db2.gz WRUIAKUHFZJYNC-WCQYABFASA-N 1 0 294.361 2.418 10 0 CEAERO C[C@@H](CN1CCCCC1)[NH2+]CC(=O)Nc1ccc(F)cc1 ZINC000049501823 524604499 /nfs/dbraw/zinc/60/44/99/524604499.db2.gz YENSYQNYUXEZPD-ZDUSSCGKSA-N 1 0 293.386 2.228 10 0 CEAERO C[C@@H](CN1CCOCC1)[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000069389958 524631340 /nfs/dbraw/zinc/63/13/40/524631340.db2.gz QDBMXUBDHPNVSV-RWMBFGLXSA-N 1 0 294.361 2.418 10 0 CEAERO COc1ccccc1S(=O)(=O)[C@@H]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC000068609454 524706725 /nfs/dbraw/zinc/70/67/25/524706725.db2.gz CXLGGBIFZAEDJN-LALPHHSUSA-N 1 0 297.420 2.232 10 0 CEAERO C[C@@H](CNC(=O)c1cc(F)c(N)c(F)c1)C[NH+]1CCCC1 ZINC000063007366 524713059 /nfs/dbraw/zinc/71/30/59/524713059.db2.gz VHZYZVUUZXNTGD-JTQLQIEISA-N 1 0 297.349 2.009 10 0 CEAERO C[C@H](Cc1cccc(Cl)c1)[NH2+]Cc1cn(C)nn1 ZINC000054859673 524714313 /nfs/dbraw/zinc/71/43/13/524714313.db2.gz DVEZGEWSNVNWEY-SNVBAGLBSA-N 1 0 264.760 2.189 10 0 CEAERO C[C@H]1COCCN1[C@@H](C[NH3+])c1cc2ccccc2o1 ZINC000068811169 524723165 /nfs/dbraw/zinc/72/31/65/524723165.db2.gz TZYXCKABYFZAAB-AAEUAGOBSA-N 1 0 260.337 2.153 10 0 CEAERO C[C@H]1COCCN1Cc1csc(C[NH2+]C(C)(C)C)n1 ZINC000052475703 524724091 /nfs/dbraw/zinc/72/40/91/524724091.db2.gz GGEULOJJSXDTSI-NSHDSACASA-N 1 0 283.441 2.252 10 0 CEAERO C[C@@H](C[NH2+]C[C@@H]1CCCO1)N(C)Cc1cccc(F)c1 ZINC000053488814 524738825 /nfs/dbraw/zinc/73/88/25/524738825.db2.gz YONUXZOGQSBNOJ-BBRMVZONSA-N 1 0 280.387 2.415 10 0 CEAERO C[C@H](Cc1ccco1)NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000049147540 524744777 /nfs/dbraw/zinc/74/47/77/524744777.db2.gz KBVIJZVJNDWFBH-LLVKDONJSA-N 1 0 273.336 2.491 10 0 CEAERO Cc1cccc(OC[C@@]([NH2+]C(C)C)(C(N)=O)C2CC2)c1 ZINC000069197419 524759686 /nfs/dbraw/zinc/75/96/86/524759686.db2.gz GVXLFPPXFGQFAG-INIZCTEOSA-N 1 0 276.380 2.006 10 0 CEAERO Cc1ccc(F)c([C@@H]([NH3+])c2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000052981721 524834955 /nfs/dbraw/zinc/83/49/55/524834955.db2.gz QOMAQHBZKOVTNT-AWEZNQCLSA-N 1 0 271.295 2.352 10 0 CEAERO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1nnc(-c2cccs2)o1 ZINC000063195545 524840002 /nfs/dbraw/zinc/84/00/02/524840002.db2.gz UWHMEENQOYGUQC-QWRGUYRKSA-N 1 0 292.408 2.500 10 0 CEAERO COc1ccc(OC)c(NC(=[NH2+])NC(C)(C)C)c1 ZINC000052069440 524845565 /nfs/dbraw/zinc/84/55/65/524845565.db2.gz BDXVSPFJNBYJPJ-UHFFFAOYSA-N 1 0 251.330 2.439 10 0 CEAERO Cc1ccc(F)cc1C(=O)N[C@H]1CCCC[C@@H]1[NH3+] ZINC000062666746 524847753 /nfs/dbraw/zinc/84/77/53/524847753.db2.gz GDSRPYFYRMVPPA-STQMWFEESA-N 1 0 250.317 2.134 10 0 CEAERO C[C@H]1C[C@@H]1[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000052273311 524852887 /nfs/dbraw/zinc/85/28/87/524852887.db2.gz SXDSUANJNZYROY-JQWIXIFHSA-N 1 0 254.374 2.384 10 0 CEAERO C[C@H]([NH3+])[C@H](Sc1nnc2ccccn21)c1ccncc1 ZINC000061406483 524853131 /nfs/dbraw/zinc/85/31/31/524853131.db2.gz GWQCSIIYXYIYCS-GWCFXTLKSA-N 1 0 285.376 2.305 10 0 CEAERO Cc1ccc(N)c(C(=O)N2CC[NH+](C3CCCC3)CC2)c1 ZINC000053005986 524902380 /nfs/dbraw/zinc/90/23/80/524902380.db2.gz BDUWQMNNELVFRL-UHFFFAOYSA-N 1 0 287.407 2.278 10 0 CEAERO C[C@@H](Cc1ccsc1)[NH2+]C[C@H](O)COC(C)(C)C ZINC000049182113 524938635 /nfs/dbraw/zinc/93/86/35/524938635.db2.gz BIFBWKQYANESTB-AAEUAGOBSA-N 1 0 271.426 2.445 10 0 CEAERO COc1ccc(OCCOC(C)C)c(CC[NH3+])c1 ZINC000049261001 524960769 /nfs/dbraw/zinc/96/07/69/524960769.db2.gz MHBGSOUWQIHSIU-UHFFFAOYSA-N 1 0 253.342 2.000 10 0 CEAERO COc1ccc(O[C@@H]2CCOC2=O)c(C[NH2+]CC(C)C)c1 ZINC000062727642 524983889 /nfs/dbraw/zinc/98/38/89/524983889.db2.gz YIQBWDSQBNOFBF-OAHLLOKOSA-N 1 0 293.363 2.135 10 0 CEAERO C[C@@H]([NH3+])Cc1nccn1Cc1cccc(F)c1F ZINC000062802884 525002064 /nfs/dbraw/zinc/00/20/64/525002064.db2.gz ITQPUYUWFFCMRP-SECBINFHSA-N 1 0 251.280 2.099 10 0 CEAERO C[C@@H]([NH3+])Cc1noc(-c2cccc3ncccc32)n1 ZINC000061418954 525002683 /nfs/dbraw/zinc/00/26/83/525002683.db2.gz BYDRWRWVTOOTHC-SECBINFHSA-N 1 0 254.293 2.175 10 0 CEAERO C[C@@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C1CC1)c1ccccc1 ZINC000061594573 525015691 /nfs/dbraw/zinc/01/56/91/525015691.db2.gz UOZSJODINUYFMH-SKDRFNHKSA-N 1 0 290.392 2.087 10 0 CEAERO C[C@@H]1CN(Cc2noc(-c3ccc(F)cc3)n2)C[C@@H](C)[NH2+]1 ZINC000070077505 525037114 /nfs/dbraw/zinc/03/71/14/525037114.db2.gz FESCMGIGUWFHQV-GHMZBOCLSA-N 1 0 290.342 2.058 10 0 CEAERO COc1ncccc1C(=O)N[C@H](C)c1ccc(C[NH3+])cc1 ZINC000061442366 525040643 /nfs/dbraw/zinc/04/06/43/525040643.db2.gz XEPUVNVILBLKGV-LLVKDONJSA-N 1 0 285.347 2.040 10 0 CEAERO C[C@@H]1CN(c2nc(C3CC3)c(C[NH3+])s2)C[C@H](C)O1 ZINC000069146666 525072595 /nfs/dbraw/zinc/07/25/95/525072595.db2.gz FKBJYFHEHMIAHC-DTORHVGOSA-N 1 0 267.398 2.093 10 0 CEAERO 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COc1cccc(CN2CC[NH2+]C3(CCCC3)C2)c1 ZINC000068693237 525948391 /nfs/dbraw/zinc/94/83/91/525948391.db2.gz TUGOXMWAOMTCEU-UHFFFAOYSA-N 1 0 260.381 2.413 10 0 CEAERO CSc1ccc(C(=O)CN2CCC([NH3+])CC2)cc1 ZINC000050158356 525951908 /nfs/dbraw/zinc/95/19/08/525951908.db2.gz TYMJVAQQDUFPRC-UHFFFAOYSA-N 1 0 264.394 2.014 10 0 CEAERO COc1cccc(C[NH2+]C(C)(C)C)c1OC[C@@H](C)O ZINC000062732218 526009144 /nfs/dbraw/zinc/00/91/44/526009144.db2.gz CAZSTHJKTJQZMC-LLVKDONJSA-N 1 0 267.369 2.343 10 0 CEAERO COc1cccc(C[NH2+]C(C)(C)C)c1O[C@H]1CCOC1=O ZINC000062732233 526010638 /nfs/dbraw/zinc/01/06/38/526010638.db2.gz ZTUGRFRWNWXZPH-ZDUSSCGKSA-N 1 0 293.363 2.278 10 0 CEAERO COc1cccc(C[NH2+]CC(C)C)c1OCCCO ZINC000062732337 526011618 /nfs/dbraw/zinc/01/16/18/526011618.db2.gz JPQNEHACBVFZQT-UHFFFAOYSA-N 1 0 267.369 2.202 10 0 CEAERO COc1cccc(C[NH2+]CC(C)C)c1O[C@H]1CCOC1=O ZINC000062732313 526012905 /nfs/dbraw/zinc/01/29/05/526012905.db2.gz CBTRNXIKKXLIQJ-AWEZNQCLSA-N 1 0 293.363 2.135 10 0 CEAERO Cc1cnc(C[NH2+]Cc2cc(C)c(O)c(C)c2)cn1 ZINC000061320406 526041382 /nfs/dbraw/zinc/04/13/82/526041382.db2.gz GCFZLHHGTDTKGF-UHFFFAOYSA-N 1 0 257.337 2.397 10 0 CEAERO Cc1cnc(C[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)cn1 ZINC000061320645 526044930 /nfs/dbraw/zinc/04/49/30/526044930.db2.gz YCOQBFMPWAWRIW-LLVKDONJSA-N 1 0 285.351 2.126 10 0 CEAERO Cc1ccc(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cc1O ZINC000063193651 526094122 /nfs/dbraw/zinc/09/41/22/526094122.db2.gz KXYZZZQQQBGSNC-AAEUAGOBSA-N 1 0 262.353 2.043 10 0 CEAERO Cc1ccc2cccc(OC[C@H]3CC[C@@H](C[NH3+])O3)c2n1 ZINC000052698013 526239318 /nfs/dbraw/zinc/23/93/18/526239318.db2.gz OUUOKWHYDDGBTC-UONOGXRCSA-N 1 0 272.348 2.428 10 0 CEAERO Cc1ccc(C(N)=O)c(N[C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000063214460 526251783 /nfs/dbraw/zinc/25/17/83/526251783.db2.gz LNIBARVJRXOKBJ-OLZOCXBDSA-N 1 0 261.369 2.166 10 0 CEAERO Cc1nn(CCCOCC(F)(F)F)c(C)c1[C@@H](C)[NH3+] ZINC000054716559 526280491 /nfs/dbraw/zinc/28/04/91/526280491.db2.gz FQZUEGPHJNPCCJ-MRVPVSSYSA-N 1 0 279.306 2.489 10 0 CEAERO Cc1nn(CC[NH2+]CCCOC(C)C)c(C)c1C ZINC000053540544 526280769 /nfs/dbraw/zinc/28/07/69/526280769.db2.gz DBJFKKVDJRZCRS-UHFFFAOYSA-N 1 0 253.390 2.213 10 0 CEAERO O[C@H]1CCC[C@H]([NH2+]Cc2cc(F)c(F)c(F)c2)C1 ZINC000062707713 526308846 /nfs/dbraw/zinc/30/88/46/526308846.db2.gz KEABKHNERXOYEJ-UWVGGRQHSA-N 1 0 259.271 2.497 10 0 CEAERO c1c2nc(CCC3CC[NH2+]CC3)[nH]c2cc2c1OCCO2 ZINC000050926741 526402957 /nfs/dbraw/zinc/40/29/57/526402957.db2.gz ZVCFLCQDTPJVPV-UHFFFAOYSA-N 1 0 287.363 2.266 10 0 CEAERO c1cc(-c2nnc(CCC[NH2+]C3CC3)o2)cc2c1OCO2 ZINC000050617748 526416248 /nfs/dbraw/zinc/41/62/48/526416248.db2.gz KJQPKSYYZAWGDB-UHFFFAOYSA-N 1 0 287.319 2.150 10 0 CEAERO c1ccc(COC[C@H]2CCOC2)c(C[NH2+]C2CC2)c1 ZINC000052705084 526474458 /nfs/dbraw/zinc/47/44/58/526474458.db2.gz VHHSPZRFIASTAB-ZDUSSCGKSA-N 1 0 261.365 2.492 10 0 CEAERO c1ccc2nc(CN3CC[NH2+]C[C@@H]3C3CC3)ccc2c1 ZINC000068695893 526517011 /nfs/dbraw/zinc/51/70/11/526517011.db2.gz OBDYYGQPOTZPBH-QGZVFWFLSA-N 1 0 267.376 2.419 10 0 CEAERO c1csc(-c2n[nH]c(CC[C@@H]3CCC[NH2+]C3)n2)c1 ZINC000054700137 526574662 /nfs/dbraw/zinc/57/46/62/526574662.db2.gz JRPATINEOWXWFR-JTQLQIEISA-N 1 0 262.382 2.465 10 0 CEAERO O=C(NCc1ccc(F)cc1F)c1ccc2c(c1)C[NH2+]C2 ZINC000156751526 526678185 /nfs/dbraw/zinc/67/81/85/526678185.db2.gz RGJKLBBATFZIHR-UHFFFAOYSA-N 1 0 288.297 2.498 10 0 CEAERO C[NH2+]C[C@H]1Cc2ccccc2CN1c1ncncc1Cl ZINC000097848574 536469054 /nfs/dbraw/zinc/46/90/54/536469054.db2.gz DDIIGXPQVVJNSP-CYBMUJFWSA-N 1 0 288.782 2.281 10 0 CEAERO Cc1nc(C)c([C@H](C)NC(=O)[C@]2(C)CCC[NH2+]C2)s1 ZINC000062858901 526752072 /nfs/dbraw/zinc/75/20/72/526752072.db2.gz XYKHXSNWEQGZLH-IINYFYTJSA-N 1 0 281.425 2.327 10 0 CEAERO Cc1oc(C[NH3+])cc1CN(C)Cc1cscn1 ZINC000052503821 526769694 /nfs/dbraw/zinc/76/96/94/526769694.db2.gz LTNJYIXBZLLOIW-UHFFFAOYSA-N 1 0 251.355 2.135 10 0 CEAERO Cc1oc(CN2CCS(=O)CC2)cc1C[NH2+]C(C)(C)C ZINC000052516216 526770499 /nfs/dbraw/zinc/77/04/99/526770499.db2.gz MUPKAILHHCWCBH-UHFFFAOYSA-N 1 0 298.452 2.040 10 0 CEAERO NC(=[NH2+])c1cc(Cl)ccc1Sc1nnnn1C1CC1 ZINC000052860423 526820736 /nfs/dbraw/zinc/82/07/36/526820736.db2.gz DBBCOPMGNLUHCS-UHFFFAOYSA-N 1 0 294.771 2.097 10 0 CEAERO NC(=[NH2+])c1ccc(CSc2nnc3ccccn32)cc1 ZINC000061406816 526822392 /nfs/dbraw/zinc/82/23/92/526822392.db2.gz MKGQRLGUBFIJCL-UHFFFAOYSA-N 1 0 283.360 2.306 10 0 CEAERO NC(=[NH2+])c1ccc(N2CCCOCC2)cc1C(F)(F)F ZINC000061918952 526823519 /nfs/dbraw/zinc/82/35/19/526823519.db2.gz ZIHMVIALTOVVAZ-UHFFFAOYSA-N 1 0 287.285 2.216 10 0 CEAERO [NH2+]=C1CCCCN1CCc1ccc2c(c1)OCCO2 ZINC000049583932 526838652 /nfs/dbraw/zinc/83/86/52/526838652.db2.gz UXLRFOGJBQEJED-UHFFFAOYSA-N 1 0 260.337 2.463 10 0 CEAERO Cc1nc(CN2[C@@H]3CCC[C@H]2CC([NH3+])C3)cs1 ZINC000054602586 526874570 /nfs/dbraw/zinc/87/45/70/526874570.db2.gz SOARFAWYAWNVCI-VGPLMAKISA-N 1 0 251.399 2.296 10 0 CEAERO O=C(C[NH2+]C[C@H]1CC=CCC1)N1CCCCCC1 ZINC000045630647 526881618 /nfs/dbraw/zinc/88/16/18/526881618.db2.gz BPNIXJIAEACYAK-AWEZNQCLSA-N 1 0 250.386 2.335 10 0 CEAERO O=C(N[C@@H]1CC[NH2+]C2(CCCCC2)C1)c1cscn1 ZINC000062358525 526932406 /nfs/dbraw/zinc/93/24/06/526932406.db2.gz ISKMLQZSADCTKY-LLVKDONJSA-N 1 0 279.409 2.328 10 0 CEAERO Cc1nc(N(C)C2CC[NH+](C)CC2)sc1[C@H](C)O ZINC000054910214 526950037 /nfs/dbraw/zinc/95/00/37/526950037.db2.gz MIRJBGWAQGTSSO-JTQLQIEISA-N 1 0 269.414 2.035 10 0 CEAERO Cc1nc(N2CCOCC2)sc1C[NH2+]C(C)(C)C ZINC000052345265 526970360 /nfs/dbraw/zinc/97/03/60/526970360.db2.gz ODZJZFOMQNLJIB-UHFFFAOYSA-N 1 0 269.414 2.176 10 0 CEAERO NC(=O)[C@@](CSc1ccccc1F)([NH2+]C1CC1)C1CC1 ZINC000069186336 526989185 /nfs/dbraw/zinc/98/91/85/526989185.db2.gz SEBMVKIMFUOEAG-HNNXBMFYSA-N 1 0 294.395 2.304 10 0 CEAERO NC(=O)[C@@]([NH3+])(CSc1cccc(Cl)c1)C1CC1 ZINC000069189531 526990965 /nfs/dbraw/zinc/99/09/65/526990965.db2.gz IYPPSGLUHHQMFU-GFCCVEGCSA-N 1 0 270.785 2.025 10 0 CEAERO NC(=O)[C@H]([NH2+]CC1CC1)c1csc2ccccc21 ZINC000054464986 526996425 /nfs/dbraw/zinc/99/64/25/526996425.db2.gz AZHHCCLRUDWEHI-CYBMUJFWSA-N 1 0 260.362 2.427 10 0 CEAERO NC(=O)[C@](CSCc1ccccc1)([NH2+]C1CC1)C1CC1 ZINC000069185908 527016250 /nfs/dbraw/zinc/01/62/50/527016250.db2.gz KGDIBPMWEFDGBU-MRXNPFEDSA-N 1 0 290.432 2.306 10 0 CEAERO O=C(N[C@H]1CCCC[NH2+]C1)c1ccc2cc[nH]c2c1 ZINC000070120445 527020598 /nfs/dbraw/zinc/02/05/98/527020598.db2.gz NCFZQPCNNHEGKP-ZDUSSCGKSA-N 1 0 257.337 2.040 10 0 CEAERO NC(=O)c1cc(Cl)ccc1N1C[C@@H]2C[C@@H]([NH3+])CC[C@@H]2C1 ZINC000052858568 527025653 /nfs/dbraw/zinc/02/56/53/527025653.db2.gz KKLGTGYXJGHDAZ-SCVCMEIPSA-N 1 0 293.798 2.003 10 0 CEAERO NC(=O)c1cc(N[C@@H]2CCCC[C@@H]2[NH3+])nc2ccccc21 ZINC000068770782 527032658 /nfs/dbraw/zinc/03/26/58/527032658.db2.gz SYMMUFYCVJLUJR-GXTWGEPZSA-N 1 0 284.363 2.016 10 0 CEAERO O=C1NCCCC[C@H]1[NH2+][C@H](c1cccs1)C1CC1 ZINC000051100089 527062750 /nfs/dbraw/zinc/06/27/50/527062750.db2.gz YWHLUDSOYRCEPK-YPMHNXCESA-N 1 0 264.394 2.458 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)N1CCC[C@@H]1c1cccnc1 ZINC000054306166 527120356 /nfs/dbraw/zinc/12/03/56/527120356.db2.gz HZRJUQAMBBYOCO-DZGCQCFKSA-N 1 0 273.380 2.135 10 0 CEAERO [NH3+]C1CCC(CCC(=O)N2C[C@@H]3CC[C@H]2C3)CC1 ZINC000055138920 527139111 /nfs/dbraw/zinc/13/91/11/527139111.db2.gz XTUHVFBZFGNDOQ-HHTDUIENSA-N 1 0 250.386 2.295 10 0 CEAERO [NH3+]C1CCC(Oc2cc3ccccc3c(=O)[nH]2)CC1 ZINC000055143667 527141753 /nfs/dbraw/zinc/14/17/53/527141753.db2.gz YNEYTCGQHLQZMB-UHFFFAOYSA-N 1 0 258.321 2.177 10 0 CEAERO [NH3+]C1CCC(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000055143905 527142093 /nfs/dbraw/zinc/14/20/93/527142093.db2.gz RJUDSUCVDSVFMQ-UHFFFAOYSA-N 1 0 279.405 2.219 10 0 CEAERO [NH3+]C1CCC(Sc2nnc3n2CCCCC3)CC1 ZINC000055143734 527143165 /nfs/dbraw/zinc/14/31/65/527143165.db2.gz ACEISXRQTOBGTP-UHFFFAOYSA-N 1 0 266.414 2.367 10 0 CEAERO O=S(=O)(CC1CC[NH2+]CC1)Nc1ccc(Cl)cc1 ZINC000049641620 527168124 /nfs/dbraw/zinc/16/81/24/527168124.db2.gz CAACUNNLSSDLND-UHFFFAOYSA-N 1 0 288.800 2.081 10 0 CEAERO [NH3+]CCCc1noc(Cc2ccccc2Cl)n1 ZINC000054139218 527184781 /nfs/dbraw/zinc/18/47/81/527184781.db2.gz KOAUBBHRPOBKGA-UHFFFAOYSA-N 1 0 251.717 2.205 10 0 CEAERO [NH3+]CCc1ccc(CNC(=O)c2ccc(F)cc2F)cc1 ZINC000052898932 527196620 /nfs/dbraw/zinc/19/66/20/527196620.db2.gz FNFISUYXGUEALU-UHFFFAOYSA-N 1 0 290.313 2.396 10 0 CEAERO [NH3+]CCc1cnn(Cc2cccc(C(F)(F)F)c2)c1 ZINC000054740814 527197928 /nfs/dbraw/zinc/19/79/28/527197928.db2.gz QOUOMNYTQGUBKF-UHFFFAOYSA-N 1 0 269.270 2.451 10 0 CEAERO [NH3+]CCc1nccn1Cc1ccccc1Br ZINC000052304070 527199084 /nfs/dbraw/zinc/19/90/84/527199084.db2.gz ARNLIVCYULSJHF-UHFFFAOYSA-N 1 0 280.169 2.195 10 0 CEAERO [NH3+]C[C@@H](c1cc2ccccc2o1)N1CCn2ccnc2C1 ZINC000068811985 527206066 /nfs/dbraw/zinc/20/60/66/527206066.db2.gz XRRGSOTTXZBQKL-ZDUSSCGKSA-N 1 0 282.347 2.145 10 0 CEAERO [NH3+]C[C@@](O)(c1cccc(OC(F)(F)F)c1)C(F)(F)F ZINC000062784744 527220392 /nfs/dbraw/zinc/22/03/92/527220392.db2.gz MXXVQUXCYGRJFZ-MRVPVSSYSA-N 1 0 289.175 2.294 10 0 CEAERO [NH3+]C[C@@]1(Cc2cc(F)ccc2Br)CCOC1 ZINC000054637612 527222102 /nfs/dbraw/zinc/22/21/02/527222102.db2.gz IIBAMOGHZLXRLW-LBPRGKRZSA-N 1 0 288.160 2.496 10 0 CEAERO [NH3+]C[C@H](Sc1ncnc2[nH]cnc21)c1ccccc1F ZINC000051036280 527228831 /nfs/dbraw/zinc/22/88/31/527228831.db2.gz DBQMOLOOADSMGP-JTQLQIEISA-N 1 0 289.339 2.284 10 0 CEAERO [NH3+]C[C@H](c1cccc(F)c1)N1CCC[C@@H]1CCCO ZINC000052757440 527230553 /nfs/dbraw/zinc/23/05/53/527230553.db2.gz GCQSIAAJJDSPLO-HUUCEWRRSA-N 1 0 266.360 2.062 10 0 CEAERO [NH3+]C[C@]1(N(Cc2ccco2)C2CC2)CCCSC1 ZINC000061590250 527243225 /nfs/dbraw/zinc/24/32/25/527243225.db2.gz PPIBAXHLZWQNOA-CQSZACIVSA-N 1 0 266.410 2.469 10 0 CEAERO O=S(=O)(Nc1ccc2c(c1)C[NH2+]CC2)C1CCCCC1 ZINC000069052845 527250052 /nfs/dbraw/zinc/25/00/52/527250052.db2.gz YUCYEVDUYVULOT-UHFFFAOYSA-N 1 0 294.420 2.407 10 0 CEAERO [NH3+]Cc1ccc(F)cc1CN1CC(=O)Nc2ccccc21 ZINC000069401185 527254904 /nfs/dbraw/zinc/25/49/04/527254904.db2.gz DNEJWRVYODPSGS-UHFFFAOYSA-N 1 0 285.322 2.243 10 0 CEAERO [NH3+]Cc1cccc(NC(=O)c2ccc3c(c2)CCO3)c1 ZINC000050891878 527260138 /nfs/dbraw/zinc/26/01/38/527260138.db2.gz OIQOTSNINSYVLW-UHFFFAOYSA-N 1 0 268.316 2.333 10 0 CEAERO [NH3+]Cc1ccnc(Cc2cccc(Br)c2)n1 ZINC000054791076 527262512 /nfs/dbraw/zinc/26/25/12/527262512.db2.gz GLGBKCILVCZADF-UHFFFAOYSA-N 1 0 278.153 2.289 10 0 CEAERO [NH3+]Cc1cnn([C@H]2CCC[C@@H]2O)c1-c1ccccc1 ZINC000054599536 527263829 /nfs/dbraw/zinc/26/38/29/527263829.db2.gz DHAZBXXNTMIUCG-KBPBESRZSA-N 1 0 257.337 2.095 10 0 CEAERO Cc1ncc(CNC[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)s1 ZINC000049538894 527271723 /nfs/dbraw/zinc/27/17/23/527271723.db2.gz YWAGBLRRUAMIKH-DYEKYZERSA-N 1 0 265.426 2.462 10 0 CEAERO NNc1ccc(C(=O)Nc2ccc3ncccc3c2)c[nH+]1 ZINC000054132890 527277448 /nfs/dbraw/zinc/27/74/48/527277448.db2.gz RCKBZQDBRLCIPV-UHFFFAOYSA-N 1 0 279.303 2.168 10 0 CEAERO NNc1ccc(C(=O)Nc2ccc(F)cc2Cl)c[nH+]1 ZINC000051122911 527278063 /nfs/dbraw/zinc/27/80/63/527278063.db2.gz MJPYRXHRECUXHH-UHFFFAOYSA-N 1 0 280.690 2.412 10 0 CEAERO O=S1(=O)CC[C@H]([C@H](C[NH2+]C2CC2)Cc2ccccc2)C1 ZINC000052951559 527312657 /nfs/dbraw/zinc/31/26/57/527312657.db2.gz FOZYWGRAXWCAAN-GJZGRUSLSA-N 1 0 293.432 2.032 10 0 CEAERO O=S1(=O)CC[C@H]([C@@H](C[NH2+]C2CC2)Cc2cccs2)C1 ZINC000052951602 527313300 /nfs/dbraw/zinc/31/33/00/527313300.db2.gz NFLLUWJXFJKAFZ-NWDGAFQWSA-N 1 0 299.461 2.094 10 0 CEAERO [NH3+][C@@H](CNc1ncnc2c1CCC2)c1ccccc1 ZINC000062838698 527332740 /nfs/dbraw/zinc/33/27/40/527332740.db2.gz WTHGWIBBDNFDRW-ZDUSSCGKSA-N 1 0 254.337 2.077 10 0 CEAERO [NH3+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000052886929 527338911 /nfs/dbraw/zinc/33/89/11/527338911.db2.gz OGROMRUDUAMFCL-NSHDSACASA-N 1 0 264.126 2.287 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@H]1NC(=O)CCc1ccccc1 ZINC000063211899 527341383 /nfs/dbraw/zinc/34/13/83/527341383.db2.gz NWQADZNSFJZHOS-HUUCEWRRSA-N 1 0 260.381 2.395 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1cccc2ncccc21 ZINC000061416117 527342624 /nfs/dbraw/zinc/34/26/24/527342624.db2.gz QMGVSKOJMMXOMH-HIFRSBDPSA-N 1 0 269.348 2.235 10 0 CEAERO [NH3+][C@@H]1CCCN(c2cccc(OC3CCOCC3)c2)C1 ZINC000069310960 527348153 /nfs/dbraw/zinc/34/81/53/527348153.db2.gz CHZHIFHUGJZFDD-CYBMUJFWSA-N 1 0 276.380 2.172 10 0 CEAERO [NH3+][C@H](CNc1ncnc2c1CCC2)c1ccccc1 ZINC000062838697 527387100 /nfs/dbraw/zinc/38/71/00/527387100.db2.gz WTHGWIBBDNFDRW-CYBMUJFWSA-N 1 0 254.337 2.077 10 0 CEAERO [NH3+][C@H]1CCCCC[C@@H]1NC(=O)c1ccc(F)cc1F ZINC000063212169 527394578 /nfs/dbraw/zinc/39/45/78/527394578.db2.gz AQAZGDGTSDONNO-STQMWFEESA-N 1 0 268.307 2.355 10 0 CEAERO [NH3+][C@H]1CCCN(c2cccc(OC3CCOCC3)c2)C1 ZINC000069310957 527401801 /nfs/dbraw/zinc/40/18/01/527401801.db2.gz CHZHIFHUGJZFDD-ZDUSSCGKSA-N 1 0 276.380 2.172 10 0 CEAERO Nc1cc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)ccc1Cl ZINC000062939812 527442881 /nfs/dbraw/zinc/44/28/81/527442881.db2.gz GZUHRJUYPYWEFT-LBPRGKRZSA-N 1 0 293.798 2.233 10 0 CEAERO Cn1ccnc1[C@@H]([NH3+])C1(c2ccccc2)CCOCC1 ZINC000069473942 527450177 /nfs/dbraw/zinc/45/01/77/527450177.db2.gz GQXJUFZEXHTJIA-CQSZACIVSA-N 1 0 271.364 2.168 10 0 CEAERO Cc1ncn(C[C@H]2CC[C@@H](C[NH2+]CC(C)C)O2)c1C ZINC000052593736 527462994 /nfs/dbraw/zinc/46/29/94/527462994.db2.gz JANYMAROEHFQSI-LSDHHAIUSA-N 1 0 265.401 2.293 10 0 CEAERO Cn1nccc1[C@@H]([NH3+])Cc1ccccc1Br ZINC000069021684 527623847 /nfs/dbraw/zinc/62/38/47/527623847.db2.gz HHFNWROPFWWERJ-NSHDSACASA-N 1 0 280.169 2.425 10 0 CEAERO Cc1n[nH]cc1CCC[NH2+][C@H](C)c1c(C)nn(C)c1C ZINC000050182877 527658557 /nfs/dbraw/zinc/65/85/57/527658557.db2.gz SAYUKCYTNFWWCX-LLVKDONJSA-N 1 0 275.400 2.352 10 0 CEAERO FC(F)(F)C(F)(F)c1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000063084692 527663087 /nfs/dbraw/zinc/66/30/87/527663087.db2.gz PHHBXYUOHUGUSM-ZCFIWIBFSA-N 1 0 285.216 2.266 10 0 CEAERO Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@H]1CCCO ZINC000052759546 527666913 /nfs/dbraw/zinc/66/69/13/527666913.db2.gz FTGQCJUNAXVDJF-NSHDSACASA-N 1 0 271.792 2.119 10 0 CEAERO FC(F)(F)COCCC[NH2+]CC[C@H]1CCCO1 ZINC000049312400 527669441 /nfs/dbraw/zinc/66/94/41/527669441.db2.gz SPGLJEZFUFVQPZ-SNVBAGLBSA-N 1 0 255.280 2.114 10 0 CEAERO Cc1nn(C)c(N(C)C2CCOCC2)c1C[NH2+]CC(C)C ZINC000062736278 527670005 /nfs/dbraw/zinc/67/00/05/527670005.db2.gz QVDMMNLIGAQLDY-UHFFFAOYSA-N 1 0 294.443 2.089 10 0 CEAERO Cc1nn(C)c(N2C[C@H](C)OC[C@@H]2C)c1C[NH2+]CC(C)C ZINC000062735847 527676514 /nfs/dbraw/zinc/67/65/14/527676514.db2.gz YBOUWBDNQLFQNZ-STQMWFEESA-N 1 0 294.443 2.088 10 0 CEAERO CCO[C@H]1C[C@@H]([N@H+](C)Cc2c(C)nn(C)c2OC)C1(C)C ZINC000093605292 528073208 /nfs/dbraw/zinc/07/32/08/528073208.db2.gz IJPSZWFFCWAUMY-KGLIPLIRSA-N 1 0 295.427 2.373 10 0 CEAERO CC(C)C[C@H](C)OCCC(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000193643875 528485588 /nfs/dbraw/zinc/48/55/88/528485588.db2.gz GOSZDHPOHFMYRS-MJBXVCDLSA-N 1 0 270.417 2.084 10 0 CEAERO CCOCC[N@@H+]1CCN(Cc2ccncc2Cl)C[C@@H]1C ZINC000173679593 528752493 /nfs/dbraw/zinc/75/24/93/528752493.db2.gz NFFFFBUVSJKOKO-ZDUSSCGKSA-N 1 0 297.830 2.278 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1csc(C(=O)OC)c1 ZINC000411307611 529097256 /nfs/dbraw/zinc/09/72/56/529097256.db2.gz NCLQCDCZWXBDEJ-ZDUSSCGKSA-N 1 0 296.436 2.451 10 0 CEAERO CC(C)n1ncc2cc(C[NH2+]CCCCCO)cnc21 ZINC000192901806 535138131 /nfs/dbraw/zinc/13/81/31/535138131.db2.gz JHTFGAGVLZSKMB-UHFFFAOYSA-N 1 0 276.384 2.264 10 0 CEAERO CC(C)COc1nc(N2CCC[C@H]([NH+](C)C)C2)ccc1N ZINC000091394947 535246786 /nfs/dbraw/zinc/24/67/86/535246786.db2.gz LGZCZKASGZQOER-ZDUSSCGKSA-N 1 0 292.427 2.229 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N(C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000262469651 535675090 /nfs/dbraw/zinc/67/50/90/535675090.db2.gz NLIQJYCLCPVWOX-FYYVMTAXSA-N 1 0 296.436 2.071 10 0 CEAERO C[NH+](C)CCCN1c2ccccc2NC(C)(C)C1=O ZINC000096540085 535832853 /nfs/dbraw/zinc/83/28/53/535832853.db2.gz HIJPZLRHYFOHDA-UHFFFAOYSA-N 1 0 261.369 2.175 10 0 CEAERO CC[C@@](C)(C[NH3+])[C@H](O)c1ccc2c(c1)CCCN2C ZINC000091909773 535978625 /nfs/dbraw/zinc/97/86/25/535978625.db2.gz IZCOWRRFEWRKET-CVEARBPZSA-N 1 0 262.397 2.477 10 0 CEAERO C[N@@H+]1CCC[C@H](Nc2ccccc2N2CCOCC2)CC1 ZINC000086818059 536387847 /nfs/dbraw/zinc/38/78/47/536387847.db2.gz CFTBTERLDGFEMS-HNNXBMFYSA-N 1 0 289.423 2.419 10 0 CEAERO COC(=O)[C@@H](C)[C@H](C)[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000093036263 536443646 /nfs/dbraw/zinc/44/36/46/536443646.db2.gz LDMKKGXILAFFBU-GJZGRUSLSA-N 1 0 290.407 2.315 10 0 CEAERO COC(=O)[C@H](C)[C@@H](C)[NH+]1CCN(c2ccccc2F)CC1 ZINC000093036504 536643075 /nfs/dbraw/zinc/64/30/75/536643075.db2.gz LWWNYUDTCFLEHP-CHWSQXEVSA-N 1 0 294.370 2.145 10 0 CEAERO CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)C1CC[NH2+]CC1 ZINC000262593408 536664806 /nfs/dbraw/zinc/66/48/06/536664806.db2.gz VPDNAEZVMNILGZ-ABAIWWIYSA-N 1 0 294.370 2.018 10 0 CEAERO COc1cc(N2CCCC[C@@H]2C[NH2+]C(C)C)nc(C)n1 ZINC000090787304 536827196 /nfs/dbraw/zinc/82/71/96/536827196.db2.gz UQDQEZYNPXIQPC-CYBMUJFWSA-N 1 0 278.400 2.151 10 0 CEAERO COc1ncnc(N2CCC[C@@H](C[NH2+]C(C)(C)C)C2)c1C ZINC000090789067 536905613 /nfs/dbraw/zinc/90/56/13/536905613.db2.gz QUUYXENRMPOKNM-ZDUSSCGKSA-N 1 0 292.427 2.398 10 0 CEAERO COc1ccc2c(c1)CCCN2C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085371391 536969448 /nfs/dbraw/zinc/96/94/48/536969448.db2.gz ZFOOUAKTTLKTSR-LSDHHAIUSA-N 1 0 288.391 2.492 10 0 CEAERO COc1cccc(N2CC[NH+]([C@H]3CCC[C@H](O)C3)CC2)c1 ZINC000093731526 537124797 /nfs/dbraw/zinc/12/47/97/537124797.db2.gz XQBZWRHWFPYHFA-HOCLYGCPSA-N 1 0 290.407 2.121 10 0 CEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(Cl)c(OC)c1 ZINC000757185446 574511713 /nfs/dbraw/zinc/51/17/13/574511713.db2.gz UUVAEUACZVJXPS-GHMZBOCLSA-N 1 0 283.755 2.215 10 0 CEAERO FC(F)(F)[C@H]1CCC[C@]2(C1)[NH2+]C1(COC1)CCO2 ZINC000757143506 574510290 /nfs/dbraw/zinc/51/02/90/574510290.db2.gz DIVSBJZORBIUTF-ONGXEEELSA-N 1 0 265.275 2.214 10 0 CEAERO CC1(C)CC2(CC(C)(C)[NH2+]1)NC[C@H]1CCC[C@H]1O2 ZINC000757146224 574510407 /nfs/dbraw/zinc/51/04/07/574510407.db2.gz RGVOEHIUHASSRE-VXGBXAGGSA-N 1 0 252.402 2.412 10 0 CEAERO CCOC(=O)[C@@H]1CC[C@H](c2ccc(C=O)s2)[NH2+]C1 ZINC000757216536 574513352 /nfs/dbraw/zinc/51/33/52/574513352.db2.gz QDUUQDQYQJXYGE-MWLCHTKSSA-N 1 0 267.350 2.164 10 0 CEAERO CCC1(C)CCN(S(=O)(=O)C[C@H]([NH3+])CC(C)C)CC1 ZINC000757154384 574511146 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ZINC000234038660 622909643 /nfs/dbraw/zinc/90/96/43/622909643.db2.gz MRFKPHOEAROXIF-DFBGVHRSSA-N 1 0 276.380 2.118 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)/C=C\c2cccs2)C1 ZINC000255054766 622915165 /nfs/dbraw/zinc/91/51/65/622915165.db2.gz ODOBOUKXHLCNSQ-QDZRJHCZSA-N 1 0 264.394 2.362 10 0 CEAERO CCC(CC)[C@H]([NH3+])CS(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000757147522 622916681 /nfs/dbraw/zinc/91/66/81/622916681.db2.gz CKPRFMIMPZCHSH-MBNYWOFBSA-N 1 0 290.473 2.058 10 0 CEAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@H]1c1cnc(Cl)s1 ZINC000757191368 622964479 /nfs/dbraw/zinc/96/44/79/622964479.db2.gz URAOFYSFDXTHKF-HTQZYQBOSA-N 1 0 288.800 2.441 10 0 CEAERO C[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000246572073 623289053 /nfs/dbraw/zinc/28/90/53/623289053.db2.gz BTIBWRHBUJCHBN-MCIONIFRSA-N 1 0 260.381 2.074 10 0 CEAERO COCCN(C)CC[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000061374813 623292773 /nfs/dbraw/zinc/29/27/73/623292773.db2.gz QYJQGKHVUVNLRN-KBPBESRZSA-N 1 0 256.434 2.369 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000261571361 623381112 /nfs/dbraw/zinc/38/11/12/623381112.db2.gz KZCKFDRFLGHIBS-QPUJVOFHSA-N 1 0 287.190 2.484 10 0 CEAERO CCc1cc2c(ncnc2N2CC[C@H]([NH3+])[C@H]2C)s1 ZINC000261586550 623406744 /nfs/dbraw/zinc/40/67/44/623406744.db2.gz ULHZBJZLCIYPKI-KCJUWKMLSA-N 1 0 262.382 2.180 10 0 CEAERO O[C@@H](C[NH2+][C@@H]1COc2ccccc21)CC(F)(F)F ZINC000307951753 623468528 /nfs/dbraw/zinc/46/85/28/623468528.db2.gz VDVHLSSVLAALRI-PSASIEDQSA-N 1 0 261.243 2.023 10 0 CEAERO C[C@H]1CN(Cc2ccc(C(F)(F)F)cc2)C[C@@H]1[NH3+] ZINC000235644948 625684539 /nfs/dbraw/zinc/68/45/39/625684539.db2.gz FXHNTSXFTXIBBA-CABZTGNLSA-N 1 0 258.287 2.484 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000234429767 624027871 /nfs/dbraw/zinc/02/78/71/624027871.db2.gz ANLKCNCTVIJALU-MRVPVSSYSA-N 1 0 291.273 2.315 10 0 CEAERO CC(C)(C)C(=O)CC[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000094442367 624146194 /nfs/dbraw/zinc/14/61/94/624146194.db2.gz UQDKDNJGNUQQNQ-CYBMUJFWSA-N 1 0 252.402 2.162 10 0 CEAERO Cc1cnnc(N2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000892222068 624432971 /nfs/dbraw/zinc/43/29/71/624432971.db2.gz NAJIMMDVAVDFGQ-AWEZNQCLSA-N 1 0 283.379 2.427 10 0 CEAERO CC[NH+](CC)CCCNS(=O)(=O)/C=C\c1ccccc1 ZINC000255521924 624618446 /nfs/dbraw/zinc/61/84/46/624618446.db2.gz KFEAYYUXWJKOON-KAMYIIQDSA-N 1 0 296.436 2.309 10 0 CEAERO C[NH2+]CCc1ccccc1C(=O)N[C@H]1COc2ccccc21 ZINC000262374067 625055142 /nfs/dbraw/zinc/05/51/42/625055142.db2.gz XSCVCFZCQGMIOP-INIZCTEOSA-N 1 0 296.370 2.312 10 0 CEAERO Cc1cc(Br)cnc1N1CC[C@@](C)(C[NH3+])C1 ZINC000235735956 625725299 /nfs/dbraw/zinc/72/52/99/625725299.db2.gz IOSLPMPUOWEICQ-LBPRGKRZSA-N 1 0 284.201 2.328 10 0 CEAERO C[C@H]1CN(C(=O)C23CC4CC(CC(C4)C2)C3)C[C@@H]1[NH3+] ZINC000235739925 625729957 /nfs/dbraw/zinc/72/99/57/625729957.db2.gz YIJAGUCJUDEPKF-JWKOKLOCSA-N 1 0 262.397 2.008 10 0 CEAERO Cc1ccnc(NCC2CC([NH3+])C2)c1Br ZINC000235931523 625794364 /nfs/dbraw/zinc/79/43/64/625794364.db2.gz HEWNDGIBNGJIOF-UHFFFAOYSA-N 1 0 270.174 2.302 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1c1nc(C)cc(C(C)C)n1 ZINC000122559820 627896583 /nfs/dbraw/zinc/89/65/83/627896583.db2.gz KFVRHYDDXVLRFM-CYBMUJFWSA-N 1 0 262.401 2.487 10 0 CEAERO CCCCc1cc(NC(=O)[C@H]([NH3+])[C@H](C)CC)n[nH]1 ZINC000236887841 628728951 /nfs/dbraw/zinc/72/89/51/628728951.db2.gz XKKABOYJLSOUTN-BXKDBHETSA-N 1 0 252.362 2.064 10 0 CEAERO C[NH2+]C[C@@H]1CCCN(c2ncc(Cl)cc2F)C1 ZINC000094052499 628750317 /nfs/dbraw/zinc/75/03/17/628750317.db2.gz YQOJHJHUOGNREM-VIFPVBQESA-N 1 0 257.740 2.310 10 0 CEAERO C[NH2+]CC1CCN(c2ncc(Cl)cc2F)CC1 ZINC000094052524 628750518 /nfs/dbraw/zinc/75/05/18/628750518.db2.gz DRSZSZZELTVEGZ-UHFFFAOYSA-N 1 0 257.740 2.310 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)c1csc(-c2ccc(C)o2)n1 ZINC000261621852 628950172 /nfs/dbraw/zinc/95/01/72/628950172.db2.gz BLTPEMQHJYRKPX-MRVPVSSYSA-N 1 0 279.365 2.049 10 0 CEAERO CCS[C@H](C(=O)N[C@H]1CCC[C@@H]1C[NH3+])C(C)C ZINC000236871897 628954705 /nfs/dbraw/zinc/95/47/05/628954705.db2.gz AAWDCLLAHHVMBZ-WOPDTQHZSA-N 1 0 258.431 2.008 10 0 CEAERO Cc1sc2ncnc(N3CC[C@@H]4[NH2+]CC[C@H]4C3)c2c1C ZINC000261710366 629143964 /nfs/dbraw/zinc/14/39/64/629143964.db2.gz JIKQULCKNHFELQ-RYUDHWBXSA-N 1 0 288.420 2.496 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)[C@H](C)c1cccc(Cl)c1 ZINC000261825434 629259003 /nfs/dbraw/zinc/25/90/03/629259003.db2.gz UWJMOVUQOISNAS-VHSXEESVSA-N 1 0 254.761 2.168 10 0 CEAERO [NH3+][C@H](C(=O)NCC1CCCCCCC1)C1CCOCC1 ZINC000261868420 629288619 /nfs/dbraw/zinc/28/86/19/629288619.db2.gz SSYKOKPBVFBEFM-HNNXBMFYSA-N 1 0 282.428 2.217 10 0 CEAERO Cc1cc(CN(C)C[C@@H]2CC[N@H+](C)C2)cc(Cl)n1 ZINC000320511466 630827423 /nfs/dbraw/zinc/82/74/23/630827423.db2.gz WENPKXRTGGBFKP-GFCCVEGCSA-N 1 0 267.804 2.427 10 0 CEAERO CC(=O)Nc1ccc(NC(=O)C[C@H]2CCC[NH2+]C2)cc1C ZINC000054306435 631152939 /nfs/dbraw/zinc/15/29/39/631152939.db2.gz WPGGGVRXGNXKFY-CYBMUJFWSA-N 1 0 289.379 2.282 10 0 CEAERO Cc1sc2ncnc(N(C)[C@H](C)C[NH3+])c2c1C ZINC000123759889 631202363 /nfs/dbraw/zinc/20/23/63/631202363.db2.gz WIWVTIBDTMPTTA-SSDOTTSWSA-N 1 0 250.371 2.092 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])CS(=O)(=O)N1CCC(C)(CC)CC1 ZINC000757154102 631823088 /nfs/dbraw/zinc/82/30/88/631823088.db2.gz WBJKBGHAPIKVMF-OLZOCXBDSA-N 1 0 290.473 2.202 10 0 CEAERO COC(=O)CCc1nc(C2([NH3+])CCC(C(C)C)CC2)no1 ZINC000757182852 631829079 /nfs/dbraw/zinc/82/90/79/631829079.db2.gz LULYTSLCOYREQD-UHFFFAOYSA-N 1 0 295.383 2.175 10 0 CEAERO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Br)cc1C ZINC000757183517 631830073 /nfs/dbraw/zinc/83/00/73/631830073.db2.gz FELCAFBGMSIMGQ-NWDGAFQWSA-N 1 0 298.180 2.234 10 0 CEAERO [NH3+][C@H]1CCCN(C(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000041028223 632368233 /nfs/dbraw/zinc/36/82/33/632368233.db2.gz XCYWUYFZWPLJPP-IXUJDMMCSA-N 1 0 262.397 2.153 10 0 CEAERO CCC[C@H](C)C[NH+]1CCC(n2cc(CN(C)C)nn2)CC1 ZINC000055088946 639339870 /nfs/dbraw/zinc/33/98/70/639339870.db2.gz RDYTUHYHLNWQID-AWEZNQCLSA-N 1 0 293.459 2.413 10 0 CEAERO CCC(CC)(CNC(=O)[C@H]1CCC[C@H]1C[NH3+])SC ZINC000227431044 639591884 /nfs/dbraw/zinc/59/18/84/639591884.db2.gz JPXSMBZKBMEVOL-RYUDHWBXSA-N 1 0 272.458 2.399 10 0 CEAERO Cc1cccc([C@H](O)CN2C[C@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000227475291 639592158 /nfs/dbraw/zinc/59/21/58/639592158.db2.gz MONGFCJZRKTFSW-DJIMGWMZSA-N 1 0 274.408 2.197 10 0 CEAERO CO[C@H](C[NH3+])c1cc(Br)c(C)s1 ZINC000227984351 639610507 /nfs/dbraw/zinc/61/05/07/639610507.db2.gz HCQVYUCLFBIBCK-SSDOTTSWSA-N 1 0 250.161 2.465 10 0 CEAERO C[C@H]([NH3+])C[C@H](C)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000228268752 639627231 /nfs/dbraw/zinc/62/72/31/639627231.db2.gz MYLHTPHYZRHIHH-IUCAKERBSA-N 1 0 292.351 2.221 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc2ccccc2n1 ZINC000061882700 639727527 /nfs/dbraw/zinc/72/75/27/639727527.db2.gz OFBAZPDRJSKAAB-GXTWGEPZSA-N 1 0 269.348 2.092 10 0 CEAERO CC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000232135872 639904436 /nfs/dbraw/zinc/90/44/36/639904436.db2.gz RIIKMYNIBDTSBF-CABCVRRESA-N 1 0 253.386 2.229 10 0 CEAERO Oc1ccc(-c2noc([C@H]3CCC[NH2+]C3)n2)cc1F ZINC000232349072 639914636 /nfs/dbraw/zinc/91/46/36/639914636.db2.gz CVMLFPYJPPEEKT-VIFPVBQESA-N 1 0 263.272 2.048 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)CCCSC(C)(C)C)C1 ZINC000152567500 640274065 /nfs/dbraw/zinc/27/40/65/640274065.db2.gz DVMLQODGTJRNCS-GFCCVEGCSA-N 1 0 272.458 2.461 10 0 CEAERO CN(Cc1ccccc1)C(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000089386214 640360556 /nfs/dbraw/zinc/36/05/56/640360556.db2.gz NSXWHJPFFUYXTJ-GJZGRUSLSA-N 1 0 260.381 2.410 10 0 CEAERO Cc1ccc(-c2cnn(CN3CC[C@H]([NH+](C)C)C3)c2)cc1 ZINC000170842715 641338875 /nfs/dbraw/zinc/33/88/75/641338875.db2.gz WVRVCTGYEATSIH-KRWDZBQOSA-N 1 0 284.407 2.452 10 0 CEAERO Cc1ccc(-c2cc(C(=O)N[C@H]3CCC[C@H]3C[NH3+])[nH]n2)cc1 ZINC000237708710 641374368 /nfs/dbraw/zinc/37/43/68/641374368.db2.gz WQXURIVGTWPDEL-KBPBESRZSA-N 1 0 298.390 2.242 10 0 CEAERO CCC1(CC)CN(CN2CCS[C@@H](C)C2)C(=O)O1 ZINC000180242108 641436040 /nfs/dbraw/zinc/43/60/40/641436040.db2.gz MGDYQNHYMJESLB-NSHDSACASA-N 1 0 272.414 2.392 10 0 CEAERO C[NH2+]CC(=O)N[C@H](C)c1cc(Cl)ccc1Cl ZINC000261558307 641522070 /nfs/dbraw/zinc/52/20/70/641522070.db2.gz YBQBSIMXPNRAJZ-SSDOTTSWSA-N 1 0 261.152 2.390 10 0 CEAERO C(C[C@@H]1CCCCO1)c1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000069403409 641538982 /nfs/dbraw/zinc/53/89/82/641538982.db2.gz XBKHQQXSKUAAHU-OLZOCXBDSA-N 1 0 279.384 2.113 10 0 CEAERO [NH3+][C@H]1CCC[C@H](C(=O)NC2C3CC4CC(C3)CC2C4)C1 ZINC000070575127 641680004 /nfs/dbraw/zinc/68/00/04/641680004.db2.gz GIKRRVABHOOMDS-LOPNKKAKSA-N 1 0 276.424 2.445 10 0 CEAERO CCCCC[C@H](C)NC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000185212728 641949849 /nfs/dbraw/zinc/94/98/49/641949849.db2.gz WQHRYBXWKSKNHX-RRFJBIMHSA-N 1 0 299.459 2.052 10 0 CEAERO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCC[C@@H](O)C1 ZINC000388701609 642620846 /nfs/dbraw/zinc/62/08/46/642620846.db2.gz HGQSIZXZHPSRRX-LVQVYYBASA-N 1 0 266.429 2.096 10 0 CEAERO CCOc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCS1(=O)=O ZINC000126664578 650855702 /nfs/dbraw/zinc/85/57/02/650855702.db2.gz WWXDRPDIMCUWGE-QWHCGFSZSA-N 1 0 297.420 2.313 10 0 CEAERO Cc1cc(NC[C@@H]2CCCO[C@H]2c2nccn2C)cc[nH+]1 ZINC000858008651 645047081 /nfs/dbraw/zinc/04/70/81/645047081.db2.gz UBRXVUSBFGFGQT-DZGCQCFKSA-N 1 0 286.379 2.125 10 0 CEAERO O=C(NC1CCCC1)N1CCC([NH2+]CC2CC2)CC1 ZINC000130205804 652230623 /nfs/dbraw/zinc/23/06/23/652230623.db2.gz QTZLYNMFPBFFRT-UHFFFAOYSA-N 1 0 265.401 2.103 10 0 CEAERO CCC1CCC([NH2+][C@H](C)C[C@H]2COCCN2)CC1 ZINC000133903909 652743101 /nfs/dbraw/zinc/74/31/01/652743101.db2.gz OOKFZPVYIFYHBV-URGYJCLVSA-N 1 0 254.418 2.312 10 0 CEAERO C[C@H]([NH3+])C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000215389955 652869616 /nfs/dbraw/zinc/86/96/16/652869616.db2.gz HHFTXDZZAJFYOD-SUIFULHWSA-N 1 0 294.420 2.046 10 0 CEAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1cncc2ccccc21 ZINC000135380456 652967692 /nfs/dbraw/zinc/96/76/92/652967692.db2.gz NBSWWNPLOUZSQQ-CZUORRHYSA-N 1 0 256.349 2.485 10 0 CEAERO COc1cccc([C@H]([NH3+])CS(=O)(=O)C2CCCCC2)c1 ZINC000081979356 177911124 /nfs/dbraw/zinc/91/11/24/177911124.db2.gz ZXJJPSDFVUPNJM-OAHLLOKOSA-N 1 0 297.420 2.443 10 0 CEAERO C[NH2+][C@@H](C)CCCS(=O)(=O)Cc1cccc(C)c1 ZINC000081983901 177911594 /nfs/dbraw/zinc/91/15/94/177911594.db2.gz SPDOAIUUHWYILS-ZDUSSCGKSA-N 1 0 269.410 2.298 10 0 CEAERO C[NH2+][C@H]1CCCC[C@@H]1S(=O)(=O)CC1CCCC1 ZINC000081991203 177915599 /nfs/dbraw/zinc/91/55/99/177915599.db2.gz HFWGNKAMUPVNHV-STQMWFEESA-N 1 0 259.415 2.122 10 0 CEAERO COCCC[S@](=O)[C@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH3+] ZINC000081999122 177916577 /nfs/dbraw/zinc/91/65/77/177916577.db2.gz OFKWRQZEFPYMNV-NARAOEGZSA-N 1 0 295.448 2.435 10 0 CEAERO O=C(Nc1ccc(-c2ccncc2)cc1)[C@@H]1CCC[NH2+]1 ZINC000082258014 177931115 /nfs/dbraw/zinc/93/11/15/177931115.db2.gz MOEJNPHBUYQWHZ-HNNXBMFYSA-N 1 0 267.332 2.439 10 0 CEAERO CCc1ccc([C@H](CC[NH2+]C)N2CCOCC2)cc1 ZINC000082296944 177951234 /nfs/dbraw/zinc/95/12/34/177951234.db2.gz GJIHHNIYYQCVQQ-INIZCTEOSA-N 1 0 262.397 2.232 10 0 CEAERO COc1ccc(Br)cc1[C@H](CO)[NH+](C)C ZINC000095532722 185004401 /nfs/dbraw/zinc/00/44/01/185004401.db2.gz BZTYLPJINJWWCJ-JTQLQIEISA-N 1 0 274.158 2.053 10 0 CEAERO O[C@H](C[C@H]1CCC[N@@H+]1CCC1OCCO1)c1ccccc1 ZINC000124491417 187139394 /nfs/dbraw/zinc/13/93/94/187139394.db2.gz CNXBICPVWKULNQ-HZPDHXFCSA-N 1 0 291.391 2.338 10 0 CEAERO O[C@@H]1C[NH2+]C[C@H]1Oc1cc(Cl)c(Cl)cc1Cl ZINC000082524920 178088532 /nfs/dbraw/zinc/08/85/32/178088532.db2.gz YCSVREFSMHOVDZ-PSASIEDQSA-N 1 0 282.554 2.358 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1c1nc2cc(Br)cnc2[nH]1 ZINC000082557970 178095212 /nfs/dbraw/zinc/09/52/12/178095212.db2.gz OZQXENLDLDFUPF-XPUUQOCRSA-N 1 0 281.157 2.043 10 0 CEAERO CCO[C@H]1C[C@H]([N@H+](C)CC(=O)N(C)C2CC2)C12CCCC2 ZINC000121223262 365537066 /nfs/dbraw/zinc/53/70/66/365537066.db2.gz OWDDLWWLDMGCLN-GJZGRUSLSA-N 1 0 294.439 2.277 10 0 CEAERO CC[NH2+]CCCCSc1nnc(N(C)C)s1 ZINC000082580236 178119276 /nfs/dbraw/zinc/11/92/76/178119276.db2.gz AOEBKEBRYVVJTE-UHFFFAOYSA-N 1 0 260.432 2.086 10 0 CEAERO [NH3+]CCc1c(Cl)cccc1Sc1nc[nH]n1 ZINC000082617371 178126955 /nfs/dbraw/zinc/12/69/55/178126955.db2.gz ZPBHTBMFKODTRZ-UHFFFAOYSA-N 1 0 254.746 2.111 10 0 CEAERO Cc1nnc(Sc2ccccc2CC[NH3+])s1 ZINC000082617487 178127152 /nfs/dbraw/zinc/12/71/52/178127152.db2.gz HNRXYXRWYUPFDU-UHFFFAOYSA-N 1 0 251.380 2.499 10 0 CEAERO Cc1cnn(C[C@@H]2C[N@H+](CCc3ccc(C)cc3)CCO2)c1 ZINC000124642305 187146813 /nfs/dbraw/zinc/14/68/13/187146813.db2.gz BEURWXMJIMVZEQ-SFHVURJKSA-N 1 0 299.418 2.443 10 0 CEAERO O=C(OCc1ccccc1)N1CCC[C@H]2C[NH2+]C[C@@H]21 ZINC000096034409 185068243 /nfs/dbraw/zinc/06/82/43/185068243.db2.gz CYLXTAHWMBAPHI-KBPBESRZSA-N 1 0 260.337 2.007 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](c2nc3cc(Cl)ccc3[nH]2)C1 ZINC000034939070 361799004 /nfs/dbraw/zinc/79/90/04/361799004.db2.gz BHUOJUTVIWWRLN-KWQFWETISA-N 1 0 251.717 2.266 10 0 CEAERO NN1CC[NH+](C2c3ccccc3CCc3ccccc32)CC1 ZINC000034031642 361787381 /nfs/dbraw/zinc/78/73/81/361787381.db2.gz AHSSLXWVCNSHMF-UHFFFAOYSA-N 1 0 293.414 2.366 10 0 CEAERO C[NH2+][C@@H](C)C[S@](=O)c1ccccc1Br ZINC000082747280 178268997 /nfs/dbraw/zinc/26/89/97/178268997.db2.gz AWVDPLCOUPHQHK-RMLUDKJBSA-N 1 0 276.199 2.165 10 0 CEAERO CC(C)[C@@H](C)[NH2+][C@@H](C)CS(=O)(=O)c1ccccc1 ZINC000121987011 365623801 /nfs/dbraw/zinc/62/38/01/365623801.db2.gz OLIBJDLRTDOKNP-QWHCGFSZSA-N 1 0 269.410 2.483 10 0 CEAERO O[C@@H]1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1C[C@@H]1CCOC1 ZINC000124596794 365654848 /nfs/dbraw/zinc/65/48/48/365654848.db2.gz ICVUWRIMGADWGX-LJISPDSOSA-N 1 0 253.386 2.038 10 0 CEAERO C[NH2+][C@@H](c1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000082998671 178333492 /nfs/dbraw/zinc/33/34/92/178333492.db2.gz HAYAOPNIWFZNSN-GMSGAONNSA-N 1 0 279.814 2.097 10 0 CEAERO C[C@H]1CN(Cc2ccc(Br)o2)[C@@H](C)C[NH2+]1 ZINC000083118116 178337940 /nfs/dbraw/zinc/33/79/40/178337940.db2.gz KWVUMKQCPAQDOK-IUCAKERBSA-N 1 0 273.174 2.224 10 0 CEAERO C[C@@H](C[C@@](C)(O)C[NH3+])Sc1ccc(Cl)cn1 ZINC000082917633 178329665 /nfs/dbraw/zinc/32/96/65/178329665.db2.gz QFFKZEXHANQEHM-GZMMTYOYSA-N 1 0 260.790 2.315 10 0 CEAERO C[C@](O)(C[NH3+])CCSc1ncccc1Br ZINC000082917611 178329679 /nfs/dbraw/zinc/32/96/79/178329679.db2.gz WQNNIYLJNOYDAX-SNVBAGLBSA-N 1 0 291.214 2.036 10 0 CEAERO [NH3+][C@]1(Cc2sccc2Br)CCOC1 ZINC000083186577 178351784 /nfs/dbraw/zinc/35/17/84/178351784.db2.gz HHWLUXSOKUXSSE-VIFPVBQESA-N 1 0 262.172 2.171 10 0 CEAERO CC(C)[C@@H]1CN(CCc2cccc(F)c2)CC[NH2+]1 ZINC000083383533 178386532 /nfs/dbraw/zinc/38/65/32/178386532.db2.gz OGMRFYXTILHWEN-HNNXBMFYSA-N 1 0 250.361 2.298 10 0 CEAERO [NH3+][C@H]1CCCCC[C@H]1N1CCc2ccccc2C1=O ZINC000096601854 185108088 /nfs/dbraw/zinc/10/80/88/185108088.db2.gz OADHGNNJXXIXKF-LSDHHAIUSA-N 1 0 258.365 2.345 10 0 CEAERO CC(C)CC[NH2+]CCOc1ccc2c(c1)OCO2 ZINC000083385049 178392874 /nfs/dbraw/zinc/39/28/74/178392874.db2.gz LUCKHVBIYPBSER-UHFFFAOYSA-N 1 0 251.326 2.430 10 0 CEAERO CCN(CC)c1ccc(NC(=O)CSCC[NH3+])c(C)c1 ZINC000096751662 185111294 /nfs/dbraw/zinc/11/12/94/185111294.db2.gz NIKXZUSBLITCCM-UHFFFAOYSA-N 1 0 295.452 2.472 10 0 CEAERO CC(C)[NH+]1CCN(c2ccc(Cl)cc2N)CC1 ZINC000036170619 361834746 /nfs/dbraw/zinc/83/47/46/361834746.db2.gz PTLRZVHCXRPXQI-UHFFFAOYSA-N 1 0 253.777 2.453 10 0 CEAERO CC(C)[C@@](O)(C[NH3+])Cc1ccc(Br)cc1 ZINC000096944483 185134906 /nfs/dbraw/zinc/13/49/06/185134906.db2.gz LDJCJMGGQQRNCO-LBPRGKRZSA-N 1 0 272.186 2.337 10 0 CEAERO CC[C@@](O)(C[NH3+])Cc1cccc(Br)c1 ZINC000096951363 185139488 /nfs/dbraw/zinc/13/94/88/185139488.db2.gz OZSNMXXFAGRTCU-NSHDSACASA-N 1 0 258.159 2.091 10 0 CEAERO C[C@@H](c1cccs1)n1cncc1[C@@H]1C[NH2+]CCO1 ZINC000097014794 185151955 /nfs/dbraw/zinc/15/19/55/185151955.db2.gz MOQRRDQPWNDSGO-JQWIXIFHSA-N 1 0 263.366 2.215 10 0 CEAERO C[C@H]([NH2+][C@H]1CCc2c1cccc2O)C(=O)N1CCCCC1 ZINC000037784486 361937098 /nfs/dbraw/zinc/93/70/98/361937098.db2.gz OVXJIHKINDSMNF-WFASDCNBSA-N 1 0 288.391 2.370 10 0 CEAERO CC[NH+]1CCC(Nc2cccc(Cn3cncn3)c2)CC1 ZINC000037785103 361937596 /nfs/dbraw/zinc/93/75/96/361937596.db2.gz KHUQZWPOIHKJCV-UHFFFAOYSA-N 1 0 285.395 2.223 10 0 CEAERO [NH3+]C1CCC(C(=O)NCc2ccc(OC(F)F)cc2)CC1 ZINC000040825305 362002247 /nfs/dbraw/zinc/00/22/47/362002247.db2.gz OGTRBDBNGWYCJJ-UHFFFAOYSA-N 1 0 298.333 2.422 10 0 CEAERO [NH3+]CC1([C@@H](O)c2cscc2Br)CC1 ZINC000307173406 539169173 /nfs/dbraw/zinc/16/91/73/539169173.db2.gz RIJMJWBCYVPASF-QMMMGPOBSA-N 1 0 262.172 2.283 10 0 CEAERO Cc1ccc2c(c1Br)NC[C@]21C[C@@H]1[NH3+] ZINC000725246983 539192029 /nfs/dbraw/zinc/19/20/29/539192029.db2.gz CMFVQWWCTGCQRN-GZMMTYOYSA-N 1 0 253.143 2.152 10 0 CEAERO Cc1cc2c(c(Br)c1)NC[C@@]21C[C@H]1[NH3+] ZINC000725247756 539192666 /nfs/dbraw/zinc/19/26/66/539192666.db2.gz XBYWERQEVHGQDI-KOLCDFICSA-N 1 0 253.143 2.152 10 0 CEAERO O=C(NCC1=C[C@H]2CC[C@@H](C1)[NH2+]2)OCc1ccccc1 ZINC000725261856 539209922 /nfs/dbraw/zinc/20/99/22/539209922.db2.gz KSUGHWDXMGXBHV-CABCVRRESA-N 1 0 272.348 2.364 10 0 CEAERO CC(C)[C@H](C)C(=O)N[C@H]1CC[NH2+]CC[C@@H]1C(F)(F)F ZINC000725262584 539210886 /nfs/dbraw/zinc/21/08/86/539210886.db2.gz HVYLQNXQANDGBH-DCAQKATOSA-N 1 0 280.334 2.325 10 0 CEAERO O[C@@H]1CCC[C@H]([NH2+]Cc2ccn(-c3ccccc3)n2)C1 ZINC000124899765 539211388 /nfs/dbraw/zinc/21/13/88/539211388.db2.gz SAFBGVHDKVSNKE-XJKSGUPXSA-N 1 0 271.364 2.265 10 0 CEAERO CC(C)CC(=O)N[C@H]1CC[NH2+]CC[C@H]1C(F)(F)F ZINC000725262878 539211914 /nfs/dbraw/zinc/21/19/14/539211914.db2.gz QDHAGWJFTYIBBD-ZJUUUORDSA-N 1 0 266.307 2.079 10 0 CEAERO CC(C)(C)NC(=O)N[C@H]1CC[NH2+]CC[C@H]1C(F)(F)F ZINC000725262953 539212023 /nfs/dbraw/zinc/21/20/23/539212023.db2.gz WNOTUXMXFYUUFB-BDAKNGLRSA-N 1 0 281.322 2.015 10 0 CEAERO Brc1ccc(C[NH2+][C@@H]2COC[C@@H]2C2CC2)cn1 ZINC000725269669 539215090 /nfs/dbraw/zinc/21/50/90/539215090.db2.gz PEMYBKQZJTYZKH-VXGBXAGGSA-N 1 0 297.196 2.359 10 0 CEAERO C[C@H](C(=O)N1C[C@@H](C)OC2(CC[NH2+]CC2)C1)C(C)(C)C ZINC000725272990 539215799 /nfs/dbraw/zinc/21/57/99/539215799.db2.gz XAEIMVAOZPVAGA-CHWSQXEVSA-N 1 0 282.428 2.038 10 0 CEAERO CC[C@H]([NH2+]C[C@H]1CN(CC)CCO1)[C@@H]1CC1(C)C ZINC000397815607 539244251 /nfs/dbraw/zinc/24/42/51/539244251.db2.gz JODGYMJJYCAYBL-IHRRRGAJSA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@H](SC)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000126167520 365699672 /nfs/dbraw/zinc/69/96/72/365699672.db2.gz PRBGUFWWZFVFEU-NEPJUHHUSA-N 1 0 260.447 2.221 10 0 CEAERO [NH3+][C@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 ZINC000041028365 362013813 /nfs/dbraw/zinc/01/38/13/362013813.db2.gz FUSNURDZDBCXNG-ZDUSSCGKSA-N 1 0 271.364 2.050 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc(F)nc1 ZINC000126320244 187232545 /nfs/dbraw/zinc/23/25/45/187232545.db2.gz PZRLAEPBZSXSBX-GFCCVEGCSA-N 1 0 280.347 2.169 10 0 CEAERO CCC[C@@H](C(=O)NCCCOC1CCCC1)[NH+](C)C ZINC000126359270 365708501 /nfs/dbraw/zinc/70/85/01/365708501.db2.gz JHMBTNAQQBAAEA-AWEZNQCLSA-N 1 0 270.417 2.182 10 0 CEAERO CC1CC[NH+](C2CCC([NH2+]C3COC3)CC2)CC1 ZINC000336618246 365726004 /nfs/dbraw/zinc/72/60/04/365726004.db2.gz OKIPXGWPVVRPSA-UHFFFAOYSA-N 1 0 252.402 2.018 10 0 CEAERO Cc1cnc(N2CC[N@@H+]3CCC[C@@H]3C2)c(Br)c1 ZINC000097846470 539303733 /nfs/dbraw/zinc/30/37/33/539303733.db2.gz SMLJVDJAODKZIA-LLVKDONJSA-N 1 0 296.212 2.437 10 0 CEAERO CC(C)CCNC(=O)[C@H](C)[NH2+]CCc1cccs1 ZINC000034938580 343421372 /nfs/dbraw/zinc/42/13/72/343421372.db2.gz XMQQEIHTUVCPCR-LBPRGKRZSA-N 1 0 268.426 2.431 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(Cn2cccn2)c1 ZINC000037003425 343424966 /nfs/dbraw/zinc/42/49/66/343424966.db2.gz NVAHFLMXQMNKNF-SWLSCSKDSA-N 1 0 286.379 2.243 10 0 CEAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)C1 ZINC000037166304 343425960 /nfs/dbraw/zinc/42/59/60/343425960.db2.gz GZKLEJQLADTNFI-IAGOWNOFSA-N 1 0 285.391 2.325 10 0 CEAERO CCOc1cc(C[NH2+][C@@H]2CCC[C@@H](O)C2)ccc1O ZINC000037164484 343426001 /nfs/dbraw/zinc/42/60/01/343426001.db2.gz NPDJTSFPNOECIB-CHWSQXEVSA-N 1 0 265.353 2.184 10 0 CEAERO CCOc1cc(C[NH2+][C@H]2CCC[C@H](O)C2)ccc1O ZINC000037164482 343426073 /nfs/dbraw/zinc/42/60/73/343426073.db2.gz NPDJTSFPNOECIB-STQMWFEESA-N 1 0 265.353 2.184 10 0 CEAERO COc1cc(OC)c(OC)cc1C[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000037164495 343426128 /nfs/dbraw/zinc/42/61/28/343426128.db2.gz DMWVXVNQGQQWRM-QWHCGFSZSA-N 1 0 295.379 2.106 10 0 CEAERO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@H](O)C2)cc1 ZINC000037164824 343426142 /nfs/dbraw/zinc/42/61/42/343426142.db2.gz OBAHNGXBVLXOCK-CABCVRRESA-N 1 0 262.353 2.038 10 0 CEAERO CCN(CC)c1ncc(C[NH2+][C@H]2CCC[C@@H](O)C2)s1 ZINC000037321087 343426674 /nfs/dbraw/zinc/42/66/74/343426674.db2.gz FVTODKCMJLCJDD-NWDGAFQWSA-N 1 0 283.441 2.382 10 0 CEAERO [NH3+]C1CCC(C(=O)N2CCc3sccc3C2)CC1 ZINC000037622734 343429615 /nfs/dbraw/zinc/42/96/15/343429615.db2.gz GFTQOJZRIDSTED-UHFFFAOYSA-N 1 0 264.394 2.150 10 0 CEAERO [NH3+]C1CCC(C(=O)NCc2ccc(Cl)cc2)CC1 ZINC000037623367 343430471 /nfs/dbraw/zinc/43/04/71/343430471.db2.gz UJTWSXPQZBWOQG-UHFFFAOYSA-N 1 0 266.772 2.474 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000082285413 282263782 /nfs/dbraw/zinc/26/37/82/282263782.db2.gz WIAHCZBAWGYPOQ-LBPRGKRZSA-N 1 0 252.745 2.116 10 0 CEAERO CCCCOC[C@H](O)C[NH2+]C[C@H]1Cc2ccccc21 ZINC000227894094 539323430 /nfs/dbraw/zinc/32/34/30/539323430.db2.gz HCOYBQOVRYUXRX-HUUCEWRRSA-N 1 0 263.381 2.094 10 0 CEAERO C[C@H](CCc1ccco1)[NH2+]C[C@H](O)COCc1ccco1 ZINC000049566447 343537899 /nfs/dbraw/zinc/53/78/99/343537899.db2.gz VEKGHQRRTKUIFP-KGLIPLIRSA-N 1 0 293.363 2.361 10 0 CEAERO C[C@@H](C(=O)N[C@@H](C)c1cc(F)ccc1F)[C@H](C)[NH3+] ZINC000228598744 539350033 /nfs/dbraw/zinc/35/00/33/539350033.db2.gz FNMMJDSMMCHNTC-VGMNWLOBSA-N 1 0 256.296 2.125 10 0 CEAERO C[C@@H]1C[C@@H]1c1ccc(CN2CCO[C@H](C[NH+](C)C)C2)o1 ZINC000128146383 187354227 /nfs/dbraw/zinc/35/42/27/187354227.db2.gz RTUWROCHDWCYCG-YUELXQCFSA-N 1 0 278.396 2.165 10 0 CEAERO C[NH+](C)C[C@@H]1CN(Cc2ccc(F)cc2Cl)CCO1 ZINC000128159824 187354496 /nfs/dbraw/zinc/35/44/96/187354496.db2.gz UZVJSBDPWBNWCS-CYBMUJFWSA-N 1 0 286.778 2.242 10 0 CEAERO Cc1ccc([C@H](C)[NH2+]CCN2C(=O)CCC2=O)c(C)c1 ZINC000089683037 344127947 /nfs/dbraw/zinc/12/79/47/344127947.db2.gz OLLAVCLTLUIGAG-ZDUSSCGKSA-N 1 0 274.364 2.103 10 0 CEAERO C[NH2+]C[C@@H]1OCCc2cc(Br)sc21 ZINC000117841972 344290283 /nfs/dbraw/zinc/29/02/83/344290283.db2.gz WBWIZZNDPKHYTO-ZETCQYMHSA-N 1 0 262.172 2.344 10 0 CEAERO Cc1nnc(C[NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)n1C ZINC000124530124 344315001 /nfs/dbraw/zinc/31/50/01/344315001.db2.gz PJTIXQCVBTUOFB-VHSXEESVSA-N 1 0 276.306 2.334 10 0 CEAERO CC(C)c1nc(NCc2ccccc2)cc(NN)[nH+]1 ZINC000127704076 344331069 /nfs/dbraw/zinc/33/10/69/344331069.db2.gz PSXIYORAFLEFNT-UHFFFAOYSA-N 1 0 257.341 2.498 10 0 CEAERO CC(C)c1nsc(NC[C@]2(C)CCC[NH2+]C2)n1 ZINC000129289343 344342441 /nfs/dbraw/zinc/34/24/41/344342441.db2.gz LYSBXNRFZYPNHO-GFCCVEGCSA-N 1 0 254.403 2.463 10 0 CEAERO [NH3+][C@@H]1C[C@@H]1c1ncc(Br)cc1Br ZINC000130024445 344348685 /nfs/dbraw/zinc/34/86/85/344348685.db2.gz DWIOQFVGWWIZFS-CAHLUQPWSA-N 1 0 291.974 2.421 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC000135365179 344381615 /nfs/dbraw/zinc/38/16/15/344381615.db2.gz YQWFVPDINDTKPU-GOEBONIOSA-N 1 0 262.397 2.366 10 0 CEAERO C[C@@H]1CCCC[C@@H]1CNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000136180921 344384230 /nfs/dbraw/zinc/38/42/30/344384230.db2.gz JORZQWCGKWWBOZ-NFAWXSAZSA-N 1 0 252.402 2.461 10 0 CEAERO COC(=O)c1cccc(NC(=O)C[C@@H]([NH3+])C(C)C)c1C ZINC000136344235 344384756 /nfs/dbraw/zinc/38/47/56/344384756.db2.gz GAANKDJHLGARJJ-GFCCVEGCSA-N 1 0 278.352 2.094 10 0 CEAERO COc1ccc(C[NH+]2CCC3(COC3)CC2)c(OC)c1 ZINC000140176836 344397237 /nfs/dbraw/zinc/39/72/37/344397237.db2.gz YWYNLNBCJSRXHQ-UHFFFAOYSA-N 1 0 277.364 2.316 10 0 CEAERO O[C@H](C[NH2+]C[C@H]1CCCCS1)COCc1ccco1 ZINC000158272484 344450956 /nfs/dbraw/zinc/45/09/56/344450956.db2.gz IIAYMKGBIFASOQ-TZMCWYRMSA-N 1 0 285.409 2.032 10 0 CEAERO CN(CCC[NH3+])c1ncc(Cl)cc1Br ZINC000162758365 344468577 /nfs/dbraw/zinc/46/85/77/344468577.db2.gz SWIZLLZBBRTSBH-UHFFFAOYSA-N 1 0 278.581 2.283 10 0 CEAERO [NH3+][C@@H](CNc1nc(Br)cs1)C1CC1 ZINC000168239273 344479906 /nfs/dbraw/zinc/47/99/06/344479906.db2.gz ZGEQEMIKANIAQN-LURJTMIESA-N 1 0 262.176 2.055 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]1)c1occc1Br ZINC000168737400 344481061 /nfs/dbraw/zinc/48/10/61/344481061.db2.gz JHQSZIGJRFIRPF-SSDOTTSWSA-N 1 0 258.115 2.367 10 0 CEAERO CC(C)([NH3+])C(=O)Cc1cc(F)ccc1Br ZINC000168666665 344481118 /nfs/dbraw/zinc/48/11/18/344481118.db2.gz WKTZRFCKJLVENI-UHFFFAOYSA-N 1 0 274.133 2.437 10 0 CEAERO C[C@H]1C[C@H]1NC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000170809435 344490609 /nfs/dbraw/zinc/49/06/09/344490609.db2.gz IPLKLXUWODMPQP-GXTWGEPZSA-N 1 0 267.417 2.349 10 0 CEAERO C[C@H]1C[C@H]1NC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000170811748 344490650 /nfs/dbraw/zinc/49/06/50/344490650.db2.gz DAYZQFZJUPXYCH-COMQUAJESA-N 1 0 267.417 2.205 10 0 CEAERO OC[C@]1(Cc2cc(Br)cs2)CCC[NH2+]1 ZINC000215649980 344534291 /nfs/dbraw/zinc/53/42/91/344534291.db2.gz UUWUMLXYOFBOOR-SNVBAGLBSA-N 1 0 276.199 2.168 10 0 CEAERO [NH3+][C@@H]1CN(Cc2ccccc2)C[C@@H]1[C@@H]1CCCCO1 ZINC000225873897 344547731 /nfs/dbraw/zinc/54/77/31/344547731.db2.gz IZMCMZQESIQXER-XHSDSOJGSA-N 1 0 260.381 2.015 10 0 CEAERO C[C@@H]1CCC[C@](C[NH2+][C@@H]2CCCC[C@H]2O)(N(C)C)C1 ZINC000226227010 344548632 /nfs/dbraw/zinc/54/86/32/344548632.db2.gz CLXKXEXOWISDTA-FPCVCCKLSA-N 1 0 268.445 2.390 10 0 CEAERO C[C@@H]([NH3+])[C@@H](O)c1ccc(Br)c(Cl)c1 ZINC000235161685 344589682 /nfs/dbraw/zinc/58/96/82/344589682.db2.gz HLSQLOYOEWKSQF-MLUIRONXSA-N 1 0 264.550 2.483 10 0 CEAERO Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CCCNC2=O)c1 ZINC000050395492 362419676 /nfs/dbraw/zinc/41/96/76/362419676.db2.gz LQDKJNIRNBKKJP-DZGCQCFKSA-N 1 0 260.381 2.184 10 0 CEAERO C[C@@H]1CN(C(=O)c2cc3sccc3s2)C[C@@H]1[NH3+] ZINC000235375042 344591067 /nfs/dbraw/zinc/59/10/67/344591067.db2.gz DGUSUZMPWIZIPZ-SFYZADRCSA-N 1 0 266.391 2.382 10 0 CEAERO C[C@@H]1CCC[C@@H](NC(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000235391043 344591093 /nfs/dbraw/zinc/59/10/93/344591093.db2.gz MFVJZSLDXAAACS-HZSPNIEDSA-N 1 0 252.402 2.461 10 0 CEAERO C[C@H]([NH3+])C[C@@H](O)c1ccc(I)cc1 ZINC000235500909 344591713 /nfs/dbraw/zinc/59/17/13/344591713.db2.gz ZONCIDVAMTYPDU-OIBJUYFYSA-N 1 0 291.132 2.062 10 0 CEAERO O[C@H](C[NH2+]C[C@@H]1CCC2(CCCCC2)O1)C(F)(F)F ZINC000236540773 344595862 /nfs/dbraw/zinc/59/58/62/344595862.db2.gz ZWCJUVDJKXKNSA-WDEREUQCSA-N 1 0 281.318 2.381 10 0 CEAERO CN(Cc1ccccc1)c1ncnc(N)c1Br ZINC000234308769 344584082 /nfs/dbraw/zinc/58/40/82/344584082.db2.gz YMWCULCUFDUFTQ-UHFFFAOYSA-N 1 0 293.168 2.458 10 0 CEAERO Clc1nccc(N2CC[NH+](C3CCCC3)CC2)n1 ZINC000052064212 362464097 /nfs/dbraw/zinc/46/40/97/362464097.db2.gz SNDRLPJIBLUPGA-UHFFFAOYSA-N 1 0 266.776 2.195 10 0 CEAERO CC[N@H+](C[C@H]1CCCO1)C[C@](C)(O)c1ccccc1 ZINC000052097196 362464984 /nfs/dbraw/zinc/46/49/84/362464984.db2.gz ZEBKUEYOMKPUSP-CVEARBPZSA-N 1 0 263.381 2.395 10 0 CEAERO [NH3+]Cc1cc(Br)cc(OC(F)(F)F)n1 ZINC000238629958 344607162 /nfs/dbraw/zinc/60/71/62/344607162.db2.gz JBISQSQJSBOLQB-UHFFFAOYSA-N 1 0 271.036 2.201 10 0 CEAERO O[C@H]1CC[C@H]([NH2+]Cc2cnc(Cl)nc2Cl)CC1 ZINC000257353089 344647621 /nfs/dbraw/zinc/64/76/21/344647621.db2.gz PHSQHOLQIPUAAZ-KYZUINATSA-N 1 0 276.167 2.177 10 0 CEAERO C[C@@H](Nc1nc(Br)cs1)[C@H](C)[NH3+] ZINC000307146920 344720506 /nfs/dbraw/zinc/72/05/06/344720506.db2.gz OBKFWVWTVTWOID-CRCLSJGQSA-N 1 0 250.165 2.053 10 0 CEAERO C[C@H]1CCC[C@@]1([NH3+])c1ncc(Br)cn1 ZINC000307252301 344721234 /nfs/dbraw/zinc/72/12/34/344721234.db2.gz RWYVCAKGTYCMNS-XVKPBYJWSA-N 1 0 256.147 2.213 10 0 CEAERO C[C@H]1CN(Cc2ncc(-c3ccc(F)cc3)o2)C[C@H]1[NH3+] ZINC000300422971 344700023 /nfs/dbraw/zinc/70/00/23/344700023.db2.gz MYIFIZWQJCBEIF-GXFFZTMASA-N 1 0 275.327 2.260 10 0 CEAERO N[C@H](CC[NH3+])c1c(F)cc(Br)cc1F ZINC000306628586 344715915 /nfs/dbraw/zinc/71/59/15/344715915.db2.gz CPUKAPQUJJPOKK-MRVPVSSYSA-N 1 0 265.101 2.076 10 0 CEAERO C[N@@H+](Cc1cccc(C(N)=O)c1)C[C@@H]1CCc2nccn2C1 ZINC000328639053 344757061 /nfs/dbraw/zinc/75/70/61/344757061.db2.gz PJYHNIRQDSFCBO-AWEZNQCLSA-N 1 0 298.390 2.461 10 0 CEAERO COC(=O)c1ccc(C[NH2+]C[C@H](O)C(C)(C)C)cc1F ZINC000324509099 344754193 /nfs/dbraw/zinc/75/41/93/344754193.db2.gz MKHJVUICCRVVAY-ZDUSSCGKSA-N 1 0 283.343 2.109 10 0 CEAERO CC(C)(C)[C@H](O)C[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000324503526 344754206 /nfs/dbraw/zinc/75/42/06/344754206.db2.gz OOPNLFRMSPENDC-CHWSQXEVSA-N 1 0 287.469 2.428 10 0 CEAERO CCCOc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)cc1 ZINC000392927754 344839823 /nfs/dbraw/zinc/83/98/23/344839823.db2.gz CXZRRRPIDTYNEX-SWLSCSKDSA-N 1 0 276.380 2.232 10 0 CEAERO CC[NH2+][C@@H](CC)C[S@@](=O)c1ccc(F)c(F)c1 ZINC000084032361 178773253 /nfs/dbraw/zinc/77/32/53/178773253.db2.gz ZLCJNIFTRSKLOP-XYZCENFISA-N 1 0 261.337 2.461 10 0 CEAERO CC[NH2+][C@@H](C[S@@](=O)c1ccc(OC)cc1)C1CC1 ZINC000084002611 178770132 /nfs/dbraw/zinc/77/01/32/178770132.db2.gz UGOCXNYDUIAYMN-KSSFIOAISA-N 1 0 267.394 2.191 10 0 CEAERO C[NH2+][C@H](C[S@](=O)c1cc(F)ccc1F)C1CC1 ZINC000084037308 178776977 /nfs/dbraw/zinc/77/69/77/178776977.db2.gz ZQHXAKHHTVMYRS-PIGZYNQJSA-N 1 0 259.321 2.070 10 0 CEAERO COc1ccc(OC)c([C@@H]([NH3+])C[S@@](=O)C2CCCC2)c1 ZINC000084051537 178779708 /nfs/dbraw/zinc/77/97/08/178779708.db2.gz RZKQVWKGBUEKQQ-XOBRGWDASA-N 1 0 297.420 2.395 10 0 CEAERO CC(C)(C)[NH2+]C[C@H](O)COc1ccc(C=O)c(Cl)c1 ZINC000584591664 344960385 /nfs/dbraw/zinc/96/03/85/344960385.db2.gz LOBJCAFJFODFIF-NSHDSACASA-N 1 0 285.771 2.280 10 0 CEAERO COC(=O)c1ccc(N2CC[C@@H]([NH+]3CCCC3)C2)cc1F ZINC000584598293 344961903 /nfs/dbraw/zinc/96/19/03/344961903.db2.gz XHPMRAPTZHWBJT-CYBMUJFWSA-N 1 0 292.354 2.287 10 0 CEAERO COc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2CO)n1 ZINC000584633716 344970450 /nfs/dbraw/zinc/97/04/50/344970450.db2.gz JCIYXQUNIYISDV-JKSUJKDBSA-N 1 0 298.386 2.298 10 0 CEAERO CCO[C@@H]1C[NH2+]C[C@H](Oc2ccccc2)[C@H]1c1cnco1 ZINC000584651230 344973662 /nfs/dbraw/zinc/97/36/62/344973662.db2.gz DVZXOVOEAOZSPQ-VNQPRFMTSA-N 1 0 288.347 2.214 10 0 CEAERO CCOC[C@H]([NH3+])Cc1cc(Br)ccc1F ZINC000084063975 178783476 /nfs/dbraw/zinc/78/34/76/178783476.db2.gz LWNNEMJHWQILOK-SNVBAGLBSA-N 1 0 276.149 2.495 10 0 CEAERO C(Cc1nnc([C@H]2CCSC2)s1)[NH2+]C1CC1 ZINC000084121303 178797445 /nfs/dbraw/zinc/79/74/45/178797445.db2.gz YHVXSZDTHIDCRB-QMMMGPOBSA-N 1 0 255.412 2.053 10 0 CEAERO CCOc1ccc(C[C@H](C)C[NH2+]CCOC)cc1 ZINC000084141264 178800163 /nfs/dbraw/zinc/80/01/63/178800163.db2.gz GSZFVAOFHJIRLA-ZDUSSCGKSA-N 1 0 251.370 2.500 10 0 CEAERO CCOc1ccccc1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054290049 362522062 /nfs/dbraw/zinc/52/20/62/362522062.db2.gz GQDSLLPTUJVYRE-GFCCVEGCSA-N 1 0 262.353 2.414 10 0 CEAERO Cc1ccc(F)c(NC(=O)C[C@@H]2CCC[NH2+]C2)c1 ZINC000054290616 362521959 /nfs/dbraw/zinc/52/19/59/362521959.db2.gz YYBSPBISTXIRBZ-NSHDSACASA-N 1 0 250.317 2.462 10 0 CEAERO C[C@H](c1ccncc1)N(C)C(=O)CC1([NH3+])CCCC1 ZINC000084182546 178816805 /nfs/dbraw/zinc/81/68/05/178816805.db2.gz OCAPUSWTTSQLJD-GFCCVEGCSA-N 1 0 261.369 2.263 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1ccc(N2CCCC2)nc1 ZINC000054306813 362525073 /nfs/dbraw/zinc/52/50/73/362525073.db2.gz CEXXBUXOGXUTOQ-CYBMUJFWSA-N 1 0 288.395 2.010 10 0 CEAERO Cc1nc2cc(NC(=O)C[C@@H]3CCC[NH2+]C3)ccc2[nH]1 ZINC000054307347 362525387 /nfs/dbraw/zinc/52/53/87/362525387.db2.gz QBRIEWOGOFUOEN-NSHDSACASA-N 1 0 272.352 2.200 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1ccccc1-n1cccn1 ZINC000054306991 362525516 /nfs/dbraw/zinc/52/55/16/362525516.db2.gz OXBPXWYOZOTIQL-CYBMUJFWSA-N 1 0 284.363 2.201 10 0 CEAERO C[C@@H]1CN(C(=O)/C=C\c2ccccc2Cl)C[C@@H]1[NH3+] ZINC000493170984 290748672 /nfs/dbraw/zinc/74/86/72/290748672.db2.gz KKMCBVHGIOSGCI-KMZNDYGISA-N 1 0 264.756 2.159 10 0 CEAERO COc1ccccc1Cc1noc([C@@H]2CC[C@@H]([NH3+])C2)n1 ZINC000097067978 185520958 /nfs/dbraw/zinc/52/09/58/185520958.db2.gz RFWSKJZJIKSGRV-VXGBXAGGSA-N 1 0 273.336 2.264 10 0 CEAERO CCN(Cc1ccoc1)Cc1ncccc1C(=O)OC ZINC000590951862 345204530 /nfs/dbraw/zinc/20/45/30/345204530.db2.gz BBGJXSZHNNWYLE-UHFFFAOYSA-N 1 0 274.320 2.483 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)CSCc1ccc(F)cc1 ZINC000591676581 345273987 /nfs/dbraw/zinc/27/39/87/345273987.db2.gz YCWMKZDLDABTBQ-OCCSQVGLSA-N 1 0 296.411 2.303 10 0 CEAERO CCOC(=O)[C@](C)(C[C@H](C)[NH+](CC)CC)NC(C)C ZINC000084299758 178849948 /nfs/dbraw/zinc/84/99/48/178849948.db2.gz RIUXWHAXKFFOKP-ZFWWWQNUSA-N 1 0 272.433 2.427 10 0 CEAERO COC(=O)[C@](C)(C[C@H](C)[N@H+](C)C(C)C)NC(C)C ZINC000084301777 178850660 /nfs/dbraw/zinc/85/06/60/178850660.db2.gz CFKVYKPCUMMMIA-JSGCOSHPSA-N 1 0 258.406 2.035 10 0 CEAERO C[C@H](C[C@](C)([NH3+])C(N)=O)Sc1ccc2c(c1)CCC2 ZINC000084350345 178863219 /nfs/dbraw/zinc/86/32/19/178863219.db2.gz JQLHKOXZMHXQQK-BMIGLBTASA-N 1 0 278.421 2.249 10 0 CEAERO C[NH2+][C@H](C)C[C@@H](C)S(=O)(=O)c1cc(C)ccc1C ZINC000084356480 178867199 /nfs/dbraw/zinc/86/71/99/178867199.db2.gz PJFBWLVYTBXJON-CHWSQXEVSA-N 1 0 269.410 2.464 10 0 CEAERO Cc1ccccc1CS(=O)(=O)[C@@H](C)C[C@H](C)[NH3+] ZINC000084357656 178868406 /nfs/dbraw/zinc/86/84/06/178868406.db2.gz NREBBKLKUAKKQH-RYUDHWBXSA-N 1 0 255.383 2.036 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)CCc1c[nH]c2ccccc12 ZINC000229583183 539472161 /nfs/dbraw/zinc/47/21/61/539472161.db2.gz BKNFESBUROWJOO-DOMZBBRYSA-N 1 0 285.391 2.357 10 0 CEAERO C[NH2+][C@H]1CCC[C@@H](S(=O)(=O)c2cc(F)ccc2F)C1 ZINC000084430209 178885742 /nfs/dbraw/zinc/88/57/42/178885742.db2.gz BGFIPESLAJAUOW-WDEREUQCSA-N 1 0 289.347 2.269 10 0 CEAERO C[C@@H]1C[C@H](C)Cc2nc(N3CC[NH2+]CC3)sc21 ZINC000084468562 178892230 /nfs/dbraw/zinc/89/22/30/178892230.db2.gz MXFAZYXDUQCNKV-VHSXEESVSA-N 1 0 251.399 2.239 10 0 CEAERO CCC[NH2+][C@H](COCCC)Cc1c(C)nn(C)c1C ZINC000097304022 185581430 /nfs/dbraw/zinc/58/14/30/185581430.db2.gz WFQMEQGPQSLAQJ-AWEZNQCLSA-N 1 0 267.417 2.374 10 0 CEAERO CCC[NH2+][C@H](CC[C@H](C)OC)Cc1ncnn1CCC ZINC000097281861 185578517 /nfs/dbraw/zinc/57/85/17/185578517.db2.gz CZTAFANITXULBU-UONOGXRCSA-N 1 0 282.432 2.414 10 0 CEAERO CCn1ncnc1C[C@@H](CSc1cccc(F)c1)[NH2+]C ZINC000097323698 185584808 /nfs/dbraw/zinc/58/48/08/185584808.db2.gz PFQIVSZLGSRBFB-LBPRGKRZSA-N 1 0 294.399 2.360 10 0 CEAERO CCOc1cc2c(cc1[C@H](C[NH3+])OCC)O[C@@H](C)C2 ZINC000097328979 185585623 /nfs/dbraw/zinc/58/56/23/185585623.db2.gz QSBQHKNLHNBBKU-BONVTDFDSA-N 1 0 265.353 2.445 10 0 CEAERO CCC[NH2+][C@H](CCc1ccccn1)Cc1ccn(C)n1 ZINC000097353449 185588080 /nfs/dbraw/zinc/58/80/80/185588080.db2.gz FQWBKIDOQCQQJY-OAHLLOKOSA-N 1 0 272.396 2.359 10 0 CEAERO CO[C@@H](C)CC[C@@H]([NH3+])Cc1cn2ccsc2n1 ZINC000097350007 185588224 /nfs/dbraw/zinc/58/82/24/185588224.db2.gz DNUFBRXJXJGJAN-VHSXEESVSA-N 1 0 253.371 2.081 10 0 CEAERO CCOc1cncc([C@@H]([NH2+]C)c2ccc(C)nc2)c1 ZINC000097381431 185594946 /nfs/dbraw/zinc/59/49/46/185594946.db2.gz NACJLFWJSZVCOH-HNNXBMFYSA-N 1 0 257.337 2.493 10 0 CEAERO CC[NH2+][C@H](Cc1ccn(C)n1)c1cccc(N(C)C)c1 ZINC000097380471 185595360 /nfs/dbraw/zinc/59/53/60/185595360.db2.gz ZQWLIIQQUCZMFB-MRXNPFEDSA-N 1 0 272.396 2.379 10 0 CEAERO Cc1nn(C)c(Cl)c1C[C@H]([NH3+])c1cncc(F)c1 ZINC000097414999 185598828 /nfs/dbraw/zinc/59/88/28/185598828.db2.gz SERNILMRYJBUJN-NSHDSACASA-N 1 0 268.723 2.159 10 0 CEAERO CC(C)[NH2+]C[C@H](O)Cc1ccc(Br)s1 ZINC000084993563 178941738 /nfs/dbraw/zinc/94/17/38/178941738.db2.gz YETUXFOAQPQNIN-MRVPVSSYSA-N 1 0 278.215 2.412 10 0 CEAERO C[C@@](C[NH3+])(CCO)c1ccc(F)c(Br)c1 ZINC000085118479 178951241 /nfs/dbraw/zinc/95/12/41/178951241.db2.gz RXDFUKGOXYNDGX-NSHDSACASA-N 1 0 276.149 2.187 10 0 CEAERO O=S1(=O)CC[C@@H](C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000085129463 178952785 /nfs/dbraw/zinc/95/27/85/178952785.db2.gz GXYAZDSPACEGCF-DCAQKATOSA-N 1 0 299.358 2.132 10 0 CEAERO C[NH2+][C@@H](CCc1c(C)nn(C)c1C)[C@@H](C)CCOC ZINC000097425158 185601729 /nfs/dbraw/zinc/60/17/29/185601729.db2.gz IJMGUESVKZOEQF-NHYWBVRUSA-N 1 0 267.417 2.230 10 0 CEAERO NC(=O)[C@@]1([NH2+]C2CCCC2)CCC[C@H](C(F)(F)F)C1 ZINC000085130617 178954085 /nfs/dbraw/zinc/95/40/85/178954085.db2.gz ZSJQSYBPWDYWTA-JOYOIKCWSA-N 1 0 278.318 2.495 10 0 CEAERO COc1cnn(C)c1[C@@H]([NH3+])[C@@H]1Cc2ccccc2S1 ZINC000097448649 185607050 /nfs/dbraw/zinc/60/70/50/185607050.db2.gz CEYQSXBAEXJARV-STQMWFEESA-N 1 0 275.377 2.146 10 0 CEAERO C[NH2+][C@@H](CCc1nccn1C)c1ccc(C)nc1C ZINC000097451853 185609025 /nfs/dbraw/zinc/60/90/25/185609025.db2.gz NYDKABHRGAFMJW-AWEZNQCLSA-N 1 0 258.369 2.325 10 0 CEAERO CCC[NH2+]C[C@]1(Cc2ccn(C(C)C)n2)CCOC1 ZINC000085170974 178961970 /nfs/dbraw/zinc/96/19/70/178961970.db2.gz GRNZWDKNDHAFPQ-OAHLLOKOSA-N 1 0 265.401 2.413 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1Cc1ccn(C2CCCC2)n1 ZINC000085179833 178963328 /nfs/dbraw/zinc/96/33/28/178963328.db2.gz XVSWVRVMPZHPKZ-HNNXBMFYSA-N 1 0 262.401 2.311 10 0 CEAERO CC[NH2+][C@@](C)(CO)CN(CC)c1ccc(F)cc1 ZINC000085214394 178978684 /nfs/dbraw/zinc/97/86/84/178978684.db2.gz XPBRWICOMVBVMD-CQSZACIVSA-N 1 0 254.349 2.013 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCN(C)c1ccc(C)cc1 ZINC000085213930 178977962 /nfs/dbraw/zinc/97/79/62/178977962.db2.gz XLAXVNRLYYTCOO-OAHLLOKOSA-N 1 0 250.386 2.182 10 0 CEAERO Cc1cnn(CC[NH2+][C@H](C)c2cnc3cc(C)nn3c2C)c1 ZINC000179452713 232393568 /nfs/dbraw/zinc/39/35/68/232393568.db2.gz NPMKOTRSVYUOCN-CYBMUJFWSA-N 1 0 298.394 2.202 10 0 CEAERO CCC[NH2+][C@H](CO)CN1CCC[C@@H](CCC)CC1 ZINC000085261785 178990879 /nfs/dbraw/zinc/99/08/79/178990879.db2.gz HJTGSZGRFQQYQX-CABCVRRESA-N 1 0 256.434 2.249 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)CCCCOCC(F)(F)F ZINC000085282842 179000664 /nfs/dbraw/zinc/00/06/64/179000664.db2.gz QFBDUKDLUHHRGX-LLVKDONJSA-N 1 0 271.323 2.485 10 0 CEAERO CCC[NH2+][C@@](C)(CO)C[C@H](C)OCC(F)(F)F ZINC000085282828 179000768 /nfs/dbraw/zinc/00/07/68/179000768.db2.gz XMTVSKOFSAKLEX-VHSXEESVSA-N 1 0 257.296 2.095 10 0 CEAERO C[NH2+][C@H](CO)COc1ccc(C)cc1C(C)(C)C ZINC000085283158 179001170 /nfs/dbraw/zinc/00/11/70/179001170.db2.gz ASEJRRDTZUCTAP-GFCCVEGCSA-N 1 0 251.370 2.252 10 0 CEAERO [NH3+][C@](CO)(COc1ccc(F)cc1)c1ccccc1 ZINC000085285127 179002660 /nfs/dbraw/zinc/00/26/60/179002660.db2.gz OFCJOSYLCXCWHL-OAHLLOKOSA-N 1 0 261.296 2.051 10 0 CEAERO CCC[NH2+][C@@](C)(CO)C[C@H](C)n1nc(C)cc1C ZINC000085263543 178994277 /nfs/dbraw/zinc/99/42/77/178994277.db2.gz CAWJGGROUYMIFK-UONOGXRCSA-N 1 0 253.390 2.202 10 0 CEAERO CCC[NH2+][C@@](C)(CO)CCOc1ccc(OC)cc1 ZINC000085285606 179003560 /nfs/dbraw/zinc/00/35/60/179003560.db2.gz GUPRKOVVPJAWET-OAHLLOKOSA-N 1 0 267.369 2.215 10 0 CEAERO CCCOc1ccc(OC[C@H](CO)[NH2+]C(C)C)cc1 ZINC000085286207 179003825 /nfs/dbraw/zinc/00/38/25/179003825.db2.gz CNXYFHCXASXKBV-ZDUSSCGKSA-N 1 0 267.369 2.213 10 0 CEAERO CC[NH2+][C@](CO)(CSCCCOC)c1ccccc1 ZINC000085289979 179005870 /nfs/dbraw/zinc/00/58/70/179005870.db2.gz BYYNNARRIOKTMC-OAHLLOKOSA-N 1 0 283.437 2.253 10 0 CEAERO CCC[NH2+][C@](C)(CO)C[C@H](C)Sc1cnccn1 ZINC000085289709 179006226 /nfs/dbraw/zinc/00/62/26/179006226.db2.gz IRLFLMMLFAJRBU-AAEUAGOBSA-N 1 0 269.414 2.098 10 0 CEAERO C[NH2+][C@](CO)(CSc1ccc(C)cc1)C1CC1 ZINC000085290747 179006360 /nfs/dbraw/zinc/00/63/60/179006360.db2.gz YNVLTYFBKLZAFT-CQSZACIVSA-N 1 0 251.395 2.448 10 0 CEAERO C[NH2+][C@@](CO)(CSC1CCOCC1)c1ccccc1 ZINC000085290135 179006447 /nfs/dbraw/zinc/00/64/47/179006447.db2.gz QHEFQALTLLLMBV-HNNXBMFYSA-N 1 0 281.421 2.006 10 0 CEAERO CCC[NH2+][C@](C)(CO)CCSC1CCOCC1 ZINC000085290146 179006708 /nfs/dbraw/zinc/00/67/08/179006708.db2.gz PKSPKDKDNVCBAA-ZDUSSCGKSA-N 1 0 261.431 2.039 10 0 CEAERO CCC[NH2+][C@@H](CO)CSc1nc2ccccc2[nH]1 ZINC000085291721 179006963 /nfs/dbraw/zinc/00/69/63/179006963.db2.gz FQUSGEOTTPOHEC-JTQLQIEISA-N 1 0 265.382 2.016 10 0 CEAERO CCC[NH2+][C@@](C)(CO)C[C@H](C)Sc1ncccn1 ZINC000085292827 179008594 /nfs/dbraw/zinc/00/85/94/179008594.db2.gz XQPNLPSCVHHRMA-WCQYABFASA-N 1 0 269.414 2.098 10 0 CEAERO [NH3+][C@](CO)(CSc1nc2ccccc2s1)C1CC1 ZINC000085298728 179009458 /nfs/dbraw/zinc/00/94/58/179009458.db2.gz REDQDBWAOGVKKO-CYBMUJFWSA-N 1 0 280.418 2.488 10 0 CEAERO CC[NH2+][C@H](CO)CCSc1ccc(F)c(F)c1 ZINC000085298024 179009564 /nfs/dbraw/zinc/00/95/64/179009564.db2.gz ZFXLFBHQQHEKAG-VIFPVBQESA-N 1 0 261.337 2.417 10 0 CEAERO CCCC[N@H+](C[C@@](O)(CN)c1ccccc1)C1CC1 ZINC000085300822 179009761 /nfs/dbraw/zinc/00/97/61/179009761.db2.gz SCFNNAHZMXXVDM-INIZCTEOSA-N 1 0 262.397 2.097 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCOc1ccc(C)cc1OC ZINC000085286030 179003152 /nfs/dbraw/zinc/00/31/52/179003152.db2.gz KMCSEIPVHSFMRR-OAHLLOKOSA-N 1 0 267.369 2.133 10 0 CEAERO Cc1ccc(OC[C@](O)(C[NH3+])c2ccccc2)cc1 ZINC000085305940 179012144 /nfs/dbraw/zinc/01/21/44/179012144.db2.gz XUXZRLCSTUYTEP-MRXNPFEDSA-N 1 0 257.333 2.220 10 0 CEAERO [NH3+]C[C@](O)(COc1ccc2ccccc2c1)C1CC1 ZINC000085307192 179012589 /nfs/dbraw/zinc/01/25/89/179012589.db2.gz JVDGDEUMVGKCKJ-INIZCTEOSA-N 1 0 257.333 2.318 10 0 CEAERO [NH3+]C[C@](O)(COc1ccccc1F)c1ccccc1 ZINC000085306912 179012594 /nfs/dbraw/zinc/01/25/94/179012594.db2.gz WBVLOXGEEVQFJO-HNNXBMFYSA-N 1 0 261.296 2.051 10 0 CEAERO C[C@@H](C[C@@](C)(O)C[NH3+])Oc1cccc2cccnc21 ZINC000085306282 179012779 /nfs/dbraw/zinc/01/27/79/179012779.db2.gz WDJSFHUYMOCYSF-XHDPSFHLSA-N 1 0 260.337 2.102 10 0 CEAERO C[C@@](O)(C[NH3+])CCCSc1nc2ccccc2o1 ZINC000085308628 179013224 /nfs/dbraw/zinc/01/32/24/179013224.db2.gz NDXWZNAUNNYKPN-ZDUSSCGKSA-N 1 0 266.366 2.410 10 0 CEAERO COc1ccc(S[C@@H](C)C[C@@](C)(O)C[NH3+])cc1 ZINC000085308572 179013454 /nfs/dbraw/zinc/01/34/54/179013454.db2.gz VFFOBMLOCPYEMF-GXFFZTMASA-N 1 0 255.383 2.276 10 0 CEAERO CO[C@H]1CCC[C@H](OC(=O)[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000085331276 179020775 /nfs/dbraw/zinc/02/07/75/179020775.db2.gz FMYRGLNOEYXYGV-RVMXOQNASA-N 1 0 255.358 2.005 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)NCc1ccccc1Cl ZINC000085355971 179030362 /nfs/dbraw/zinc/03/03/62/179030362.db2.gz WGCUSMCWEFUCSE-PWSUYJOCSA-N 1 0 252.745 2.084 10 0 CEAERO CN(Cc1ccccc1F)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085358711 179031141 /nfs/dbraw/zinc/03/11/41/179031141.db2.gz JJENDLLDNRGHDF-JSGCOSHPSA-N 1 0 264.344 2.302 10 0 CEAERO CN(CCCc1ccccc1)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085358982 179031176 /nfs/dbraw/zinc/03/11/76/179031176.db2.gz XQOJZBVRAGIWJB-GJZGRUSLSA-N 1 0 260.381 2.205 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1cccnc1N1CCCC1 ZINC000085360223 179032325 /nfs/dbraw/zinc/03/23/25/179032325.db2.gz CYLWZTIJFXKHIT-CHWSQXEVSA-N 1 0 288.395 2.138 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@H]2CCCC[C@@H]2[NH3+])o1 ZINC000085361027 179032885 /nfs/dbraw/zinc/03/28/85/179032885.db2.gz PWKMXZKBOHFRSK-SRVKXCTJSA-N 1 0 250.342 2.283 10 0 CEAERO CSc1ccccc1NC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085360863 179032965 /nfs/dbraw/zinc/03/29/65/179032965.db2.gz REUMQEUJROHWCR-UWVGGRQHSA-N 1 0 250.367 2.474 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000085361364 179032967 /nfs/dbraw/zinc/03/29/67/179032967.db2.gz VSNBLBUHCUBRGB-LSDHHAIUSA-N 1 0 284.363 2.328 10 0 CEAERO CC(C)OC(=O)c1ccc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000085360921 179033172 /nfs/dbraw/zinc/03/31/72/179033172.db2.gz SBOHSIPDCQZJPC-KBPBESRZSA-N 1 0 290.363 2.318 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1cccnc1Cl ZINC000085361525 179033636 /nfs/dbraw/zinc/03/36/36/179033636.db2.gz BYALBLUULCTBRE-BDAKNGLRSA-N 1 0 253.733 2.191 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1cnc2ccccc2c1 ZINC000085361608 179033745 /nfs/dbraw/zinc/03/37/45/179033745.db2.gz ANBRZIFAWPXMSL-CHWSQXEVSA-N 1 0 255.321 2.301 10 0 CEAERO COC(=O)c1cccc(NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])c1C ZINC000085362415 179033960 /nfs/dbraw/zinc/03/39/60/179033960.db2.gz GUQSAMFICZYKQT-OLZOCXBDSA-N 1 0 290.363 2.238 10 0 CEAERO CN(C)c1ccccc1NC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085363460 179034548 /nfs/dbraw/zinc/03/45/48/179034548.db2.gz HEAHQDNWEWPAMD-NWDGAFQWSA-N 1 0 261.369 2.209 10 0 CEAERO COC(=O)c1ccc(F)cc1NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085364857 179035861 /nfs/dbraw/zinc/03/58/61/179035861.db2.gz VSPIDPYOVQWRIA-PWSUYJOCSA-N 1 0 294.326 2.068 10 0 CEAERO [NH3+]CCCCc1ncc(I)s1 ZINC000085352126 179029555 /nfs/dbraw/zinc/02/95/55/179029555.db2.gz ABAGOZAQQCLNAQ-UHFFFAOYSA-N 1 0 282.150 2.029 10 0 CEAERO COc1ccc(CN(C)C(=O)[C@H]2CCCC[C@H]2[NH3+])cc1F ZINC000085365378 179036710 /nfs/dbraw/zinc/03/67/10/179036710.db2.gz DRJRZLBKQSGEOP-GXTWGEPZSA-N 1 0 294.370 2.310 10 0 CEAERO C[C@H](c1ccc(F)cc1)N(C)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085367522 179037447 /nfs/dbraw/zinc/03/74/47/179037447.db2.gz CPTVYVBEOPVDOX-HONMWMINSA-N 1 0 264.344 2.473 10 0 CEAERO CCN(Cc1ccco1)C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085368440 179038010 /nfs/dbraw/zinc/03/80/10/179038010.db2.gz RLCKWUGSGYKIEO-OLZOCXBDSA-N 1 0 250.342 2.146 10 0 CEAERO Cc1ccc(OC[C@H](C)NC(=O)[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000085370571 179040507 /nfs/dbraw/zinc/04/05/07/179040507.db2.gz NBSRXLJLPPRNFY-QEJZJMRPSA-N 1 0 276.380 2.006 10 0 CEAERO COc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[C@@H]2[NH3+])cc1OC ZINC000085370529 179040690 /nfs/dbraw/zinc/04/06/90/179040690.db2.gz UKCJAZLHEPSNJW-RTXFEEFZSA-N 1 0 292.379 2.008 10 0 CEAERO CCOC(=O)c1ccsc1NC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085371614 179041585 /nfs/dbraw/zinc/04/15/85/179041585.db2.gz BZDBSGWOFPHTOX-MWLCHTKSSA-N 1 0 296.392 2.381 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)NCc1ccc(F)c(F)c1 ZINC000085372775 179042148 /nfs/dbraw/zinc/04/21/48/179042148.db2.gz WVICJEVQRKADTB-GWCFXTLKSA-N 1 0 268.307 2.099 10 0 CEAERO C[C@H](Cc1ccsc1)NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085372529 179042381 /nfs/dbraw/zinc/04/23/81/179042381.db2.gz XWWRQRSNWJFAGL-RTXFEEFZSA-N 1 0 266.410 2.313 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)NCCCOc1ccccc1 ZINC000085374030 179042785 /nfs/dbraw/zinc/04/27/85/179042785.db2.gz QIWMNLJWMOSBGK-CABCVRRESA-N 1 0 276.380 2.089 10 0 CEAERO CCN(C(=O)[C@@H]1CCC[C@@H]1[NH3+])c1cccc(F)c1 ZINC000085373246 179042786 /nfs/dbraw/zinc/04/27/86/179042786.db2.gz KKAYCCZDPBPAFK-OLZOCXBDSA-N 1 0 250.317 2.306 10 0 CEAERO COc1cccc(N(C)C(=O)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000085373435 179042926 /nfs/dbraw/zinc/04/29/26/179042926.db2.gz ZCCDGBVVPKGVQZ-UONOGXRCSA-N 1 0 262.353 2.176 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)NCc1ccccc1C(F)(F)F ZINC000085374528 179043321 /nfs/dbraw/zinc/04/33/21/179043321.db2.gz BLICLLYGITYDPU-PWSUYJOCSA-N 1 0 286.297 2.449 10 0 CEAERO CCOC(=O)c1cc(C)sc1NC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085375416 179043924 /nfs/dbraw/zinc/04/39/24/179043924.db2.gz OIUXWKFKDWLGDY-ONGXEEELSA-N 1 0 296.392 2.299 10 0 CEAERO CCc1ccccc1CNC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085376558 179044572 /nfs/dbraw/zinc/04/45/72/179044572.db2.gz CXHQEXHQDNQVFJ-CABCVRRESA-N 1 0 260.381 2.383 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+]CCCOC[C@@H]2CCCO2)C1(C)C ZINC000085380434 179045429 /nfs/dbraw/zinc/04/54/29/179045429.db2.gz BHBLIDHURRHMAU-ZNMIVQPWSA-N 1 0 285.428 2.365 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2nnc3n2CCC3)C1(C)C ZINC000085384805 179046347 /nfs/dbraw/zinc/04/63/47/179046347.db2.gz UZXGLJVMRLLWEB-QJPTWQEYSA-N 1 0 278.400 2.079 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)Nc1ccc(-c2cnco2)cc1 ZINC000085365745 179036685 /nfs/dbraw/zinc/03/66/85/179036685.db2.gz UNPYIZHAHMUDMV-STQMWFEESA-N 1 0 271.320 2.408 10 0 CEAERO CCOC(=O)CCC[NH2+][C@H]1C[C@H](OCC)C1(C)C ZINC000085398804 179051357 /nfs/dbraw/zinc/05/13/57/179051357.db2.gz KARONMNIARLCTB-RYUDHWBXSA-N 1 0 257.374 2.123 10 0 CEAERO COCCOCCC[NH2+][C@@H]1C[C@H](OCC(C)C)C1(C)C ZINC000085399860 179051560 /nfs/dbraw/zinc/05/15/60/179051560.db2.gz 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CC(C)[C@H]1C[NH2+][C@H](C2CC2)CN1CCOCC(F)(F)F ZINC000085524140 179088911 /nfs/dbraw/zinc/08/89/11/179088911.db2.gz ZZBZWYHKELGSPM-QWHCGFSZSA-N 1 0 294.361 2.274 10 0 CEAERO COc1cccc(CN2C[C@@H](C3CC3)[NH2+]C[C@@H]2C2CC2)n1 ZINC000085526343 179089734 /nfs/dbraw/zinc/08/97/34/179089734.db2.gz ICDJHMZKAPDOQO-JKSUJKDBSA-N 1 0 287.407 2.053 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@H](C2CC2)CN1Cc1ccccn1 ZINC000085528418 179090275 /nfs/dbraw/zinc/09/02/75/179090275.db2.gz ICJAQLOHMZJNSK-HOTGVXAUSA-N 1 0 259.397 2.434 10 0 CEAERO CC[C@]1(C)CN[C@H](C2CC2)C[N@@H+]1CC1CCOCC1 ZINC000085528634 179091009 /nfs/dbraw/zinc/09/10/09/179091009.db2.gz WVRAETZLVDRSMI-JKSUJKDBSA-N 1 0 266.429 2.266 10 0 CEAERO C[C@@]1(C2CC2)C[NH2+][C@@H](C2CC2)CN1Cc1cccnc1 ZINC000085529507 179091468 /nfs/dbraw/zinc/09/14/68/179091468.db2.gz CUHPGAOXYMQVTE-SJORKVTESA-N 1 0 271.408 2.434 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C2CCCCC2)CN1[C@@H]1CCOC1 ZINC000085529887 179091708 /nfs/dbraw/zinc/09/17/08/179091708.db2.gz AWFJBYLPGPUZNC-BZUAXINKSA-N 1 0 266.429 2.408 10 0 CEAERO CC[NH2+]C[C@H]1Cc2cc(Br)ccc2O1 ZINC000085539587 179092336 /nfs/dbraw/zinc/09/23/36/179092336.db2.gz IJCNHLLOUTZBGD-SNVBAGLBSA-N 1 0 256.143 2.362 10 0 CEAERO C[NH2+]C[C@@H]1CC[C@@H](COc2cc(C)ccc2F)O1 ZINC000085563384 179094499 /nfs/dbraw/zinc/09/44/99/179094499.db2.gz NJNYEUICMKIIKF-RYUDHWBXSA-N 1 0 253.317 2.280 10 0 CEAERO CCN(CC)c1ccc(-n2cnc3c2CC[NH2+]C3)cc1 ZINC000085567392 179095344 /nfs/dbraw/zinc/09/53/44/179095344.db2.gz DTZXJDBKPCAJOQ-UHFFFAOYSA-N 1 0 270.380 2.364 10 0 CEAERO CCOc1ccccc1-n1c(C)nc2c1CC[NH2+]C2 ZINC000085568946 179095824 /nfs/dbraw/zinc/09/58/24/179095824.db2.gz ZXGJLZVKPFNLPC-UHFFFAOYSA-N 1 0 257.337 2.225 10 0 CEAERO CCc1nc2c(n1CCc1ccccc1)CC[NH2+]C2 ZINC000085568956 179096420 /nfs/dbraw/zinc/09/64/20/179096420.db2.gz JWFGQYYOWMSONH-UHFFFAOYSA-N 1 0 255.365 2.334 10 0 CEAERO C[C@H]1CC[NH2+][C@@H](C2CC2)CN1Cc1cn2ccccc2n1 ZINC000085626981 179107064 /nfs/dbraw/zinc/10/70/64/179107064.db2.gz MVMRUIGOEOLGKX-XJKSGUPXSA-N 1 0 284.407 2.297 10 0 CEAERO CC(C)(C)c1nc2c(n1CC[C@@H]1CCCO1)CC[NH2+]C2 ZINC000085573391 179098093 /nfs/dbraw/zinc/09/80/93/179098093.db2.gz AYFRBVQODWPVGQ-LBPRGKRZSA-N 1 0 277.412 2.395 10 0 CEAERO CCOc1cccc(-n2c(CC)nc3c2CC[NH2+]C3)c1 ZINC000085573279 179098129 /nfs/dbraw/zinc/09/81/29/179098129.db2.gz IWXXDUHDKAQWQE-UHFFFAOYSA-N 1 0 271.364 2.479 10 0 CEAERO CCOCCn1c2c(nc1-c1ccccc1)C[NH2+]CC2 ZINC000085575297 179099150 /nfs/dbraw/zinc/09/91/50/179099150.db2.gz JEKRDSZAXAQWRV-UHFFFAOYSA-N 1 0 271.364 2.232 10 0 CEAERO CC[C@@H](COC)n1c2c(nc1C(C)(C)C)C[NH2+]CC2 ZINC000085574794 179099745 /nfs/dbraw/zinc/09/97/45/179099745.db2.gz YYUVDJBICQGCML-NSHDSACASA-N 1 0 265.401 2.424 10 0 CEAERO C[C@H](O)CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000336794010 365816747 /nfs/dbraw/zinc/81/67/47/365816747.db2.gz ZHVPUQNGRAVCGK-GBJTYRQASA-N 1 0 255.402 2.163 10 0 CEAERO CC[C@@H]1CN(Cc2ncc(C)c(OC)c2C)CCC[NH2+]1 ZINC000085614172 179102543 /nfs/dbraw/zinc/10/25/43/179102543.db2.gz PTSJPGIQRLWODL-CQSZACIVSA-N 1 0 277.412 2.281 10 0 CEAERO c1c(CN2CCC[NH2+]C3(CCCC3)C2)nc2ccccn12 ZINC000085612768 179102549 /nfs/dbraw/zinc/10/25/49/179102549.db2.gz OPHXUYBQMZHOSS-UHFFFAOYSA-N 1 0 284.407 2.442 10 0 CEAERO CC(C)(C)[C@H]1C[N@H+](CC2CCOCC2)CCCN1 ZINC000085614026 179102788 /nfs/dbraw/zinc/10/27/88/179102788.db2.gz GUGJYVRVSQRZMC-CQSZACIVSA-N 1 0 254.418 2.123 10 0 CEAERO CCn1cc(CN2C[C@@H](C(C)C)[NH2+]CC[C@@H]2C)cn1 ZINC000085618305 179103692 /nfs/dbraw/zinc/10/36/92/179103692.db2.gz OVSGLCVWBURZDU-ZFWWWQNUSA-N 1 0 264.417 2.111 10 0 CEAERO COc1c(C)cnc(CN2CCC[NH2+][C@@H](C3CC3)C2)c1C ZINC000085615866 179103733 /nfs/dbraw/zinc/10/37/33/179103733.db2.gz UCKGWZTWNKXWRJ-MRXNPFEDSA-N 1 0 289.423 2.281 10 0 CEAERO CC(C)CCOCCN1CCC[NH2+][C@H](C2CC2)C1 ZINC000085615947 179104439 /nfs/dbraw/zinc/10/44/39/179104439.db2.gz FCBUDTPWUKYJKU-HNNXBMFYSA-N 1 0 254.418 2.123 10 0 CEAERO C[C@@H]1CCN[C@H](c2ccccc2)C[N@@H+]1CCn1cccn1 ZINC000085621431 179105159 /nfs/dbraw/zinc/10/51/59/179105159.db2.gz UZXYHANZNSAEDS-WBVHZDCISA-N 1 0 284.407 2.308 10 0 CEAERO CC[C@@H](C)NC(=O)CC[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085674936 179111667 /nfs/dbraw/zinc/11/16/67/179111667.db2.gz USQDZTDIZWIZAT-OSRDXIQISA-N 1 0 282.428 2.084 10 0 CEAERO CCO[C@H]1C[C@H]([NH2+][C@@H]2CN3CCC2CC3)C12CCCC2 ZINC000085678057 179112753 /nfs/dbraw/zinc/11/27/53/179112753.db2.gz VSKGAKYRGKISFA-PMPSAXMXSA-N 1 0 278.440 2.408 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]CCCc2nnc[nH]2)C12CCCC2 ZINC000085681734 179114217 /nfs/dbraw/zinc/11/42/17/179114217.db2.gz JJBXIKIOFPQMJN-QWHCGFSZSA-N 1 0 278.400 2.065 10 0 CEAERO CC1CCN(CC[NH2+][C@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000085636562 179109702 /nfs/dbraw/zinc/10/97/02/179109702.db2.gz XACYPVLNWJVNJL-ILXRZTDVSA-N 1 0 266.429 2.121 10 0 CEAERO Cc1csc(CC[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)n1 ZINC000085638323 179109994 /nfs/dbraw/zinc/10/99/94/179109994.db2.gz NRZPKYXWGZDBSU-DRZSPHRISA-N 1 0 266.410 2.397 10 0 CEAERO Cc1cc(C[NH2+]C2CC(O)C2)ccc1Br ZINC000085707044 179121574 /nfs/dbraw/zinc/12/15/74/179121574.db2.gz JPCOQZMFNSVQDN-UHFFFAOYSA-N 1 0 270.170 2.370 10 0 CEAERO CS[C@H](C)C[NH2+][C@@H]1CC(=O)N(C)c2ccccc21 ZINC000163576893 136553154 /nfs/dbraw/zinc/55/31/54/136553154.db2.gz JNWNNKCSUIPMJG-ZYHUDNBSSA-N 1 0 264.394 2.435 10 0 CEAERO C[C@@H](O)c1cc(F)ccc1N1CC[N@H+](C)C(C)(C)C1 ZINC000104138523 136554259 /nfs/dbraw/zinc/55/42/59/136554259.db2.gz WUIOCGIWDWXQSR-LLVKDONJSA-N 1 0 266.360 2.409 10 0 CEAERO Cc1cc(F)ccc1C(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000129252758 365840180 /nfs/dbraw/zinc/84/01/80/365840180.db2.gz UGDUADGBPUARMQ-LBPRGKRZSA-N 1 0 264.344 2.158 10 0 CEAERO C[C@@H]([NH3+])C1CCN(c2ccc(Cl)cc2C(N)=O)CC1 ZINC000110651636 136558204 /nfs/dbraw/zinc/55/82/04/136558204.db2.gz ZWOVTMDEPAAQNZ-SECBINFHSA-N 1 0 281.787 2.003 10 0 CEAERO Cc1nc(NC(=O)[C@H]([NH3+])C(C)C)ccc1Br ZINC000085729054 179131677 /nfs/dbraw/zinc/13/16/77/179131677.db2.gz AXVQDAFPIYMLQB-SNVBAGLBSA-N 1 0 286.173 2.074 10 0 CEAERO CC(C)CC[C@](C)(C[NH3+])N1CCN(c2ccccn2)CC1 ZINC000019505578 136577738 /nfs/dbraw/zinc/57/77/38/136577738.db2.gz DKJDSJVMOPOMDP-QGZVFWFLSA-N 1 0 290.455 2.357 10 0 CEAERO CN(C)C[C@@H]([NH3+])Cc1ccc(Br)cc1F ZINC000085798476 179172869 /nfs/dbraw/zinc/17/28/69/179172869.db2.gz CCDYBMYTWQAZGZ-JTQLQIEISA-N 1 0 275.165 2.020 10 0 CEAERO C[NH+](C)C[C@@H](O)Cc1ccc(F)cc1Br ZINC000085794520 179173322 /nfs/dbraw/zinc/17/33/22/179173322.db2.gz MNFMQIOZQLDEDQ-JTQLQIEISA-N 1 0 276.149 2.053 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]1)Nc1ccc(N2CCCCC2)nc1 ZINC000042166787 136697618 /nfs/dbraw/zinc/69/76/18/136697618.db2.gz GQKXYWKYUSBNIU-ZDUSSCGKSA-N 1 0 288.395 2.153 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N(C)Cc1cccs1 ZINC000335593342 212305485 /nfs/dbraw/zinc/30/54/85/212305485.db2.gz DCOABMQZXZGJNN-PWSUYJOCSA-N 1 0 252.383 2.095 10 0 CEAERO CC(C)(C)[C@H](NC(=O)[C@]1([NH3+])CCOC1)c1ccccc1 ZINC000085871705 179193551 /nfs/dbraw/zinc/19/35/51/179193551.db2.gz FYYIRMIRZGRHNB-CJNGLKHVSA-N 1 0 276.380 2.008 10 0 CEAERO CC[C@H](C[NH3+])[C@@H](O)c1cc(Br)ccc1OC ZINC000085902385 179196127 /nfs/dbraw/zinc/19/61/27/179196127.db2.gz HNKWDPZLGVZVJN-PRHODGIISA-N 1 0 288.185 2.476 10 0 CEAERO C[C@@H](C[NH3+])[C@@]1(O)CCc2cc(Br)ccc2C1 ZINC000085902287 179196131 /nfs/dbraw/zinc/19/61/31/179196131.db2.gz BBHWGVIAXKLORN-TVQRCGJNSA-N 1 0 284.197 2.264 10 0 CEAERO COc1ccc(C)cc1C(=O)NC[C@H]1CCCC[C@@H]1[NH3+] ZINC000085965829 179205338 /nfs/dbraw/zinc/20/53/38/179205338.db2.gz ORAKWWZTJDFQIC-OCCSQVGLSA-N 1 0 276.380 2.251 10 0 CEAERO Cc1ccc(F)c(C(=O)NC[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000085964071 179205535 /nfs/dbraw/zinc/20/55/35/179205535.db2.gz QFWAYCLFZOBZAP-SMDDNHRTSA-N 1 0 264.344 2.381 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1CNC(=O)c1nccc2ccccc21 ZINC000085967633 179205995 /nfs/dbraw/zinc/20/59/95/179205995.db2.gz DDVXCBLJOYGZEN-UKRRQHHQSA-N 1 0 283.375 2.482 10 0 CEAERO Cc1cc(C(=O)NC[C@@H]2CCCC[C@@H]2[NH3+])c(C)o1 ZINC000085967047 179206020 /nfs/dbraw/zinc/20/60/20/179206020.db2.gz QUAPMIWBXRSARG-AAEUAGOBSA-N 1 0 250.342 2.144 10 0 CEAERO COc1ccc(NC(=O)NC[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000085970424 179206750 /nfs/dbraw/zinc/20/67/50/179206750.db2.gz IQCZTFVNLZYKQV-BXUZGUMPSA-N 1 0 277.368 2.334 10 0 CEAERO CC(C)(C[NH3+])[C@@H](O)c1ccccc1Br ZINC000085915748 179198859 /nfs/dbraw/zinc/19/88/59/179198859.db2.gz JGWVPLMHWUBDSM-JTQLQIEISA-N 1 0 258.159 2.467 10 0 CEAERO Cc1cc(C(C)(C)C)ccc1O[C@H](CO)[C@H](C)[NH3+] ZINC000085919533 179199172 /nfs/dbraw/zinc/19/91/72/179199172.db2.gz FCEMBQQRJDCDQB-SMDDNHRTSA-N 1 0 251.370 2.379 10 0 CEAERO CCC[NH2+][C@@H](CCO)CN(C)Cc1ccc(F)cc1 ZINC000085921963 179200779 /nfs/dbraw/zinc/20/07/79/179200779.db2.gz KWLPZKPFRQERJH-HNNXBMFYSA-N 1 0 268.376 2.008 10 0 CEAERO CCC[NH2+][C@@H](CCO)Cn1cc(-c2ccccc2)cn1 ZINC000085923403 179201018 /nfs/dbraw/zinc/20/10/18/179201018.db2.gz ZYTNBAMBNNCEQD-INIZCTEOSA-N 1 0 273.380 2.301 10 0 CEAERO Cc1nc(CN(C)C[C@H]2Cc3ccccc3C[N@@H+]2C)c[nH]1 ZINC000065385670 362815499 /nfs/dbraw/zinc/81/54/99/362815499.db2.gz DGAFLTHJOFDPEM-QGZVFWFLSA-N 1 0 284.407 2.207 10 0 CEAERO CC(C)[C@@H](CC[NH3+])CCC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000085986137 179211586 /nfs/dbraw/zinc/21/15/86/179211586.db2.gz MCJMCZXLNQEULM-ILXRZTDVSA-N 1 0 284.444 2.055 10 0 CEAERO CCC[C@H](CC[NH3+])CCC(=O)NC[C@H]1CCCC[C@@H]1O ZINC000085987216 179212305 /nfs/dbraw/zinc/21/23/05/179212305.db2.gz WVMRAKPJJHFSBZ-ZNMIVQPWSA-N 1 0 284.444 2.199 10 0 CEAERO CC(C)(C)[C@@H](CC[NH3+])CCC(=O)NC[C@H]1CCCC[C@@H]1O ZINC000085987101 179212422 /nfs/dbraw/zinc/21/24/22/179212422.db2.gz NVCZTBPTMBTUKD-KFWWJZLASA-N 1 0 298.471 2.445 10 0 CEAERO O=C(C[NH2+]C[C@H]1CCCC[C@H]1O)Nc1ccccc1Cl ZINC000085987656 179213090 /nfs/dbraw/zinc/21/30/90/179213090.db2.gz MBFQPYVHJFASJF-BXUZGUMPSA-N 1 0 296.798 2.419 10 0 CEAERO C[C@@H](O)CC[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000085989398 179213561 /nfs/dbraw/zinc/21/35/61/179213561.db2.gz NSSHHQAJHGCNGR-SKDRFNHKSA-N 1 0 277.286 2.099 10 0 CEAERO CC[NH2+][C@@H]1CC[C@@H](S(=O)(=O)c2ccc(F)cc2)[C@@H]1C ZINC000086040496 179222481 /nfs/dbraw/zinc/22/24/81/179222481.db2.gz UHQCQJIWYKYEQR-LERXQTSPSA-N 1 0 285.384 2.376 10 0 CEAERO CCC[NH2+][C@@H]1CC[C@H](Sc2nnnn2C2CC2)[C@@H]1C ZINC000086044734 179222797 /nfs/dbraw/zinc/22/27/97/179222797.db2.gz YLXVDVSWRMOBNX-JLLWLGSASA-N 1 0 281.429 2.267 10 0 CEAERO C[NH2+][C@H]1CC[C@H](Sc2nnnn2-c2ccccc2)[C@@H]1C ZINC000086044937 179222806 /nfs/dbraw/zinc/22/28/06/179222806.db2.gz OAHOJKPMKVDDHH-WXHSDQCUSA-N 1 0 289.408 2.141 10 0 CEAERO C[C@H]1[C@@H]([NH3+])CC[C@@H]1Sc1ccc(S(C)(=O)=O)cc1 ZINC000086046111 179222817 /nfs/dbraw/zinc/22/28/17/179222817.db2.gz VSOVSPUAKIPZEU-XDTLVQLUSA-N 1 0 285.434 2.308 10 0 CEAERO CCC[NH2+][C@H]1CC[C@@H](Sc2nc(C)cc(=O)[nH]2)[C@@H]1C ZINC000086044845 179223029 /nfs/dbraw/zinc/22/30/29/179223029.db2.gz WPLWHRCHXZXDOM-GRYCIOLGSA-N 1 0 281.425 2.337 10 0 CEAERO C[C@@H]1[C@@H](C)CC[C@@H]1[NH2+][C@@H]1CC(=O)N(C2CCCCC2)C1=O ZINC000086075150 179225302 /nfs/dbraw/zinc/22/53/02/179225302.db2.gz QKRDGZXBMNLXEV-MYZSUADSSA-N 1 0 292.423 2.471 10 0 CEAERO CCC1(C(=O)N[C@H]2CC[C@H](C)[C@@H]2C)CC[NH2+]CC1 ZINC000086076165 179225987 /nfs/dbraw/zinc/22/59/87/179225987.db2.gz UBLDZBSXEKIEQP-AVGNSLFASA-N 1 0 252.402 2.317 10 0 CEAERO [NH3+][C@H](c1cc(Cl)ccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000086020263 179218122 /nfs/dbraw/zinc/21/81/22/179218122.db2.gz JYKGUWLCPPISNZ-CPCISQLKSA-N 1 0 294.203 2.428 10 0 CEAERO CCCCS(=O)(=O)[C@H]1CC[C@H]([NH2+]CCC)[C@@H]1C ZINC000086041496 179222113 /nfs/dbraw/zinc/22/21/13/179222113.db2.gz ZYMBYPNFCBBVIR-AVGNSLFASA-N 1 0 261.431 2.368 10 0 CEAERO C[N@@H+](CC(N)=S)C[C@@H]1CSc2ccccc21 ZINC000086104244 179231047 /nfs/dbraw/zinc/23/10/47/179231047.db2.gz FMVAGAACYRFPEK-SECBINFHSA-N 1 0 252.408 2.094 10 0 CEAERO NNc1cccc(COc2cc(F)cc(F)c2)[nH+]1 ZINC000086117780 179234959 /nfs/dbraw/zinc/23/49/59/179234959.db2.gz UWEVKCDHGFDMMY-UHFFFAOYSA-N 1 0 251.236 2.224 10 0 CEAERO CCC1(CC)CN(Cc2csc(C)n2)CC[NH2+]1 ZINC000086144260 179237297 /nfs/dbraw/zinc/23/72/97/179237297.db2.gz MYUJGEQIUQDQFO-UHFFFAOYSA-N 1 0 253.415 2.416 10 0 CEAERO c1coc(CC[N@@H+]2CCN[C@H](c3ccccc3)C2)c1 ZINC000086142810 179237716 /nfs/dbraw/zinc/23/77/16/179237716.db2.gz ZYGXOESBUHRPAF-INIZCTEOSA-N 1 0 256.349 2.469 10 0 CEAERO CC[C@@H]1CC[C@@H](NS(=O)(=O)c2cccc(C[NH3+])c2)[C@@H]1C ZINC000086091580 179228739 /nfs/dbraw/zinc/22/87/39/179228739.db2.gz OYNPTOYOMCRTSJ-UXIGCNINSA-N 1 0 296.436 2.248 10 0 CEAERO CC[C@@H]1CC[C@H](NC(=O)C2(C)CC[NH2+]CC2)[C@@H]1C ZINC000086094199 179228832 /nfs/dbraw/zinc/22/88/32/179228832.db2.gz UJQVKGYBLHWOHX-UPJWGTAASA-N 1 0 252.402 2.317 10 0 CEAERO CC[C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])[C@@H]1C ZINC000086094547 179228864 /nfs/dbraw/zinc/22/88/64/179228864.db2.gz LQJQOVWAAHKJDE-BJJPWKGXSA-N 1 0 252.402 2.445 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)Nc2cccc(Br)c2)C1 ZINC000086089451 179228917 /nfs/dbraw/zinc/22/89/17/179228917.db2.gz UFUULYGDYJAZPU-WPRPVWTQSA-N 1 0 281.153 2.291 10 0 CEAERO CC[C@@H]1CC[C@@H](NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)[C@@H]1C ZINC000086094721 179229444 /nfs/dbraw/zinc/22/94/44/179229444.db2.gz ZQECPIFGWYDRLV-XABYNWHXSA-N 1 0 290.407 2.203 10 0 CEAERO CC[C@@H]1CC[C@@H]([NH2+]CC(=O)NC2CCCC2)[C@@H]1C ZINC000086095897 179229459 /nfs/dbraw/zinc/22/94/59/179229459.db2.gz GKKWLIOHDQRMDL-YRGRVCCFSA-N 1 0 252.402 2.460 10 0 CEAERO CCC[C@H]1CN(Cc2ccc(OC)cc2OC)CC[NH2+]1 ZINC000086149344 179240457 /nfs/dbraw/zinc/24/04/57/179240457.db2.gz BVHLTLCOZQBBPY-AWEZNQCLSA-N 1 0 278.396 2.278 10 0 CEAERO CCC[C@@H](COC)[N@@H+]1CCN[C@H](c2ccccc2)C1 ZINC000086150391 179240832 /nfs/dbraw/zinc/24/08/32/179240832.db2.gz SDWOVYBHWKKBES-HOTGVXAUSA-N 1 0 262.397 2.448 10 0 CEAERO CC[C@H]1C[NH2+][C@H](Cc2ccccc2)CN1c1cnn(C)c1 ZINC000086154189 179241382 /nfs/dbraw/zinc/24/13/82/179241382.db2.gz QTYYFIJBQRXVNM-CVEARBPZSA-N 1 0 284.407 2.220 10 0 CEAERO C[C@H]1C[NH2+][C@H](C2CC2)CN1CCc1ccc(F)cc1 ZINC000086180935 179247419 /nfs/dbraw/zinc/24/74/19/179247419.db2.gz FWHFKQDAJJZSLB-LRDDRELGSA-N 1 0 262.372 2.441 10 0 CEAERO COC[C@H](C)[N@@H+]1CC2(CCCC2)NC[C@@H]1C(C)C ZINC000086180047 179247133 /nfs/dbraw/zinc/24/71/33/179247133.db2.gz YQAWYHIHQJUHDD-UONOGXRCSA-N 1 0 254.418 2.264 10 0 CEAERO COc1ccc(CN2CC[NH2+]C3(CCCCC3)C2)cn1 ZINC000086148600 179239558 /nfs/dbraw/zinc/23/95/58/179239558.db2.gz ICQZHNUKEUHTJW-UHFFFAOYSA-N 1 0 275.396 2.198 10 0 CEAERO Cc1csc(CCN2CC[NH2+][C@@H](C(C)(C)C)C2)n1 ZINC000086148861 179239802 /nfs/dbraw/zinc/23/98/02/179239802.db2.gz VSVKFPVQMNNNNU-GFCCVEGCSA-N 1 0 267.442 2.314 10 0 CEAERO CC[C@@H]1CN(c2cnn(C)c2)[C@H](c2ccccc2)C[NH2+]1 ZINC000086218384 179249379 /nfs/dbraw/zinc/24/93/79/179249379.db2.gz UPMJQVKTCHCUQA-ZBFHGGJFSA-N 1 0 270.380 2.350 10 0 CEAERO CC(C)[C@H]1CN[C@H](C2CC2)C[N@@H+]1[C@@H](C)[C@@H]1CCCO1 ZINC000086218180 179249452 /nfs/dbraw/zinc/24/94/52/179249452.db2.gz UTPKQICPWUYOPE-HNKHHVNMSA-N 1 0 266.429 2.262 10 0 CEAERO CC[C@H]1CN[C@](C)(C2CC2)C[N@@H+]1[C@@H](C)[C@@H]1CCCO1 ZINC000086218150 179249991 /nfs/dbraw/zinc/24/99/91/179249991.db2.gz ZUSWIOOPVOVQKD-TUUVXOQKSA-N 1 0 266.429 2.406 10 0 CEAERO CC[C@@H]1C[NH2+]C2(CCCC2)CN1c1cnn(CC)c1 ZINC000086218550 179250003 /nfs/dbraw/zinc/25/00/03/179250003.db2.gz NDIQUQHYMJWQPK-CYBMUJFWSA-N 1 0 262.401 2.404 10 0 CEAERO CCn1cc(N2C[C@@H](C(C)(C)C)[NH2+]C[C@@H]2C)cn1 ZINC000086218561 179250282 /nfs/dbraw/zinc/25/02/82/179250282.db2.gz OENVSLQYLHDISP-AAEUAGOBSA-N 1 0 250.390 2.116 10 0 CEAERO CC[C@H]1CN[C@H](CC(C)C)C[N@@H+]1C1CCOCC1 ZINC000086218859 179250404 /nfs/dbraw/zinc/25/04/04/179250404.db2.gz QCOKWMGKTLPYRN-KGLIPLIRSA-N 1 0 254.418 2.264 10 0 CEAERO C[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1CCc1ccccn1 ZINC000086221482 179250808 /nfs/dbraw/zinc/25/08/08/179250808.db2.gz KNEVOYBJGSYVPA-HIFRSBDPSA-N 1 0 261.413 2.333 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C2CC2)CN1CCc1ccncc1 ZINC000086223328 179251948 /nfs/dbraw/zinc/25/19/48/179251948.db2.gz UQFBJGGCEWQPEC-CVEARBPZSA-N 1 0 259.397 2.087 10 0 CEAERO CCC[C@H]1CN(c2cnn(CCOC)c2)[C@H](C(C)C)C[NH2+]1 ZINC000086227277 179254214 /nfs/dbraw/zinc/25/42/14/179254214.db2.gz HPROTNUUDWVYKM-HOCLYGCPSA-N 1 0 294.443 2.132 10 0 CEAERO COCC[NH2+]C/C=C/c1ccc(Br)o1 ZINC000086228403 179254332 /nfs/dbraw/zinc/25/43/32/179254332.db2.gz FZIHUWRGQBCMTH-NSCUHMNNSA-N 1 0 260.131 2.291 10 0 CEAERO C[C@H]1C[NH2+][C@@H](C2CC2)CN1CCc1ccccc1F ZINC000086181373 179247560 /nfs/dbraw/zinc/24/75/60/179247560.db2.gz ODQYEFZMYSDXRL-BLLLJJGKSA-N 1 0 262.372 2.441 10 0 CEAERO CC(C)[C@@H]1CN[C@H](C2CC2)C[N@@H+]1C[C@@H]1CCCOC1 ZINC000086260101 179259395 /nfs/dbraw/zinc/25/93/95/179259395.db2.gz MGLAEOUXNUXQAV-BPUTZDHNSA-N 1 0 266.429 2.121 10 0 CEAERO CC[C@@H]1CN[C@@H](C(C)(C)C)C[N@@H+]1C[C@@H](C)COC ZINC000086260941 179260297 /nfs/dbraw/zinc/26/02/97/179260297.db2.gz ZMPSTLFIUHJFNN-MGPQQGTHSA-N 1 0 256.434 2.367 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C2CC2)CN1Cc1ccc2c(c1)OCO2 ZINC000086263409 179260449 /nfs/dbraw/zinc/26/04/49/179260449.db2.gz WMIVNLBNLUFNIT-HUUCEWRRSA-N 1 0 288.391 2.378 10 0 CEAERO C[C@@H]1C[NH2+]C2(CCCC2)CN1CCc1nccs1 ZINC000086264345 179261104 /nfs/dbraw/zinc/26/11/04/179261104.db2.gz TWLWQLGIRLNLEU-GFCCVEGCSA-N 1 0 265.426 2.292 10 0 CEAERO C[NH+](C)CCCOc1nc(Br)cs1 ZINC000086278601 179262895 /nfs/dbraw/zinc/26/28/95/179262895.db2.gz LZEPAGHHWNOTFN-UHFFFAOYSA-N 1 0 265.176 2.236 10 0 CEAERO Brc1csc(N[C@@H]2C[NH+]3CCC2CC3)n1 ZINC000086278648 179263129 /nfs/dbraw/zinc/26/31/29/179263129.db2.gz KGZKYTJHJVJMIL-MRVPVSSYSA-N 1 0 288.214 2.412 10 0 CEAERO CC[C@@H](C)[C@H]1CN(Cc2nccs2)CCC[NH2+]1 ZINC000086289974 179264084 /nfs/dbraw/zinc/26/40/84/179264084.db2.gz WSOPRYRBGFVZOT-VXGBXAGGSA-N 1 0 253.415 2.353 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(CCc2ccccn2)CCC[NH2+]1 ZINC000086288172 179264432 /nfs/dbraw/zinc/26/44/32/179264432.db2.gz VZYSIVFLYFNYAO-ZBFHGGJFSA-N 1 0 261.413 2.334 10 0 CEAERO Cc1csc(CN2CCC[NH2+][C@H](C3CC3)C2)n1 ZINC000086290066 179264683 /nfs/dbraw/zinc/26/46/83/179264683.db2.gz SJHCHUGHWTZKNN-LBPRGKRZSA-N 1 0 251.399 2.025 10 0 CEAERO C[NH2+]CC1CCN(c2nc(Br)cs2)CC1 ZINC000086290730 179265256 /nfs/dbraw/zinc/26/52/56/179265256.db2.gz WHAOCTMJQUENOX-UHFFFAOYSA-N 1 0 290.230 2.341 10 0 CEAERO CN(C[C@@H]1CCC[N@@H+]1C)c1nc(Br)cs1 ZINC000086291441 179265259 /nfs/dbraw/zinc/26/52/59/179265259.db2.gz AZJMMUUAVNRXMG-QMMMGPOBSA-N 1 0 290.230 2.436 10 0 CEAERO C[C@@H]1CC[C@@H](C[NH3+])CN1c1nc(Br)cs1 ZINC000086290929 179265653 /nfs/dbraw/zinc/26/56/53/179265653.db2.gz WKQXYAVYHXRBNT-SFYZADRCSA-N 1 0 290.230 2.469 10 0 CEAERO Cc1noc(CN2CCC[NH2+][C@H](C3CCCCC3)C2)n1 ZINC000086292698 179266236 /nfs/dbraw/zinc/26/62/36/179266236.db2.gz IVDBWBTXKUVHEC-AWEZNQCLSA-N 1 0 278.400 2.122 10 0 CEAERO COCCCC[N@@H+]1CCCN[C@@H](c2ccccc2)C1 ZINC000086291780 179266346 /nfs/dbraw/zinc/26/63/46/179266346.db2.gz WRYZRPXORSWPAF-MRXNPFEDSA-N 1 0 262.397 2.450 10 0 CEAERO Brc1csc(OC[C@H]2CCC[NH2+]C2)n1 ZINC000086291690 179266605 /nfs/dbraw/zinc/26/66/05/179266605.db2.gz ASGPLKOVWMSAFQ-ZETCQYMHSA-N 1 0 277.187 2.284 10 0 CEAERO CC(C)C[C@@H]1CN(CCc2nccs2)CCC[NH2+]1 ZINC000086296832 179267429 /nfs/dbraw/zinc/26/74/29/179267429.db2.gz MCZKYGBOKNDQPI-CYBMUJFWSA-N 1 0 267.442 2.396 10 0 CEAERO CCC[C@H]1CN(c2cnn(C(C)C)c2)CCC[NH2+]1 ZINC000086295917 179267555 /nfs/dbraw/zinc/26/75/55/179267555.db2.gz UUCCVUHQOSBFNQ-ZDUSSCGKSA-N 1 0 250.390 2.432 10 0 CEAERO CC[C@@H]1CN(C[C@@H]2Cc3ccccc3O2)CCC[NH2+]1 ZINC000086293857 179268202 /nfs/dbraw/zinc/26/82/02/179268202.db2.gz DITHFUDWNQXRBZ-CABCVRRESA-N 1 0 260.381 2.064 10 0 CEAERO C[C@H]1[C@@H](C)S(=O)(=O)c2c(Cl)cccc2[C@@H]1[NH3+] ZINC000086308943 179268505 /nfs/dbraw/zinc/26/85/05/179268505.db2.gz JBUKTKAAUDHQIP-NYNCVSEMSA-N 1 0 259.758 2.152 10 0 CEAERO [NH3+]CCCN(C(=O)c1ccncc1F)c1ccccc1F ZINC000086315802 179268654 /nfs/dbraw/zinc/26/86/54/179268654.db2.gz DYVLAUQJYVBODL-UHFFFAOYSA-N 1 0 291.301 2.355 10 0 CEAERO C(CN1CCC[NH2+][C@H](C2CC2)C1)OC1CCCCC1 ZINC000086298112 179269130 /nfs/dbraw/zinc/26/91/30/179269130.db2.gz QAJZAYJPYYVMBU-INIZCTEOSA-N 1 0 266.429 2.410 10 0 CEAERO O=S1(=O)CCC([NH2+]Cc2cc(Cl)cs2)CC1 ZINC000086332384 179273222 /nfs/dbraw/zinc/27/32/22/179273222.db2.gz HZTBECHWZJUGDU-UHFFFAOYSA-N 1 0 279.814 2.068 10 0 CEAERO Cn1ccnc1CC[NH2+]Cc1cc(Cl)cs1 ZINC000086332556 179273820 /nfs/dbraw/zinc/27/38/20/179273820.db2.gz SBPJPWRNLRTEAQ-UHFFFAOYSA-N 1 0 255.774 2.467 10 0 CEAERO [NH3+][C@H]1CCC[C@H](Oc2ncccc2Br)C1 ZINC000086409022 179286531 /nfs/dbraw/zinc/28/65/31/179286531.db2.gz ASLIGMXBFFOBFM-IUCAKERBSA-N 1 0 271.158 2.493 10 0 CEAERO C[NH2+][C@H]1CCCc2sc(N3CCCO[C@@H](C)C3)nc21 ZINC000086444004 179293422 /nfs/dbraw/zinc/29/34/22/179293422.db2.gz CEBMAWQYGUPLDB-QWRGUYRKSA-N 1 0 281.425 2.355 10 0 CEAERO CC[C@@H]1CN(C(=O)c2cc(C)oc2C)[C@@H](CC)C[NH2+]1 ZINC000086447249 179296004 /nfs/dbraw/zinc/29/60/04/179296004.db2.gz ANTDOWBPJQHMNN-OLZOCXBDSA-N 1 0 264.369 2.499 10 0 CEAERO CC[NH2+][C@@H]1CCCc2sc(N3CCN(CC)CC3)nc21 ZINC000086442000 179293956 /nfs/dbraw/zinc/29/39/56/179293956.db2.gz CRPLFOVXTIUMBK-GFCCVEGCSA-N 1 0 294.468 2.272 10 0 CEAERO C[NH2+][C@@H]1CCCc2sc(N(C)C[C@@H]3CCCO3)nc21 ZINC000086443534 179294162 /nfs/dbraw/zinc/29/41/62/179294162.db2.gz RWESDBPDWHPKRP-WDEREUQCSA-N 1 0 281.425 2.355 10 0 CEAERO CC[C@@H]1CN(C(=O)Cc2cccc(F)c2)[C@H](CC)C[NH2+]1 ZINC000086446333 179294686 /nfs/dbraw/zinc/29/46/86/179294686.db2.gz SVOIOBMFOQNCOY-HUUCEWRRSA-N 1 0 278.371 2.357 10 0 CEAERO CC[C@H]1CN(Cc2ccc(O)c(OC)c2)[C@@H](CC)C[NH2+]1 ZINC000086445269 179294969 /nfs/dbraw/zinc/29/49/69/179294969.db2.gz SFKHVSHMJKREAA-KBPBESRZSA-N 1 0 278.396 2.363 10 0 CEAERO CC[C@H]1CN(C(=O)Cc2ccccc2)[C@@H](CC)C[NH2+]1 ZINC000086446915 179295896 /nfs/dbraw/zinc/29/58/96/179295896.db2.gz VYIOHYZWQJZVPW-GJZGRUSLSA-N 1 0 260.381 2.218 10 0 CEAERO [NH2+]=C1NC[C@H](c2cc(Br)cs2)N1C1CC1 ZINC000086473058 179300565 /nfs/dbraw/zinc/30/05/65/179300565.db2.gz OXVXVYXODNPYPJ-MRVPVSSYSA-N 1 0 286.198 2.344 10 0 CEAERO NC1=[NH+]C[C@@H](C2CC2)N1c1ccc(Br)cc1 ZINC000086474549 179300762 /nfs/dbraw/zinc/30/07/62/179300762.db2.gz NUKBTDVEBPJJJZ-NSHDSACASA-N 1 0 280.169 2.362 10 0 CEAERO CC[NH+](CC)CCOc1ncc(N)cc1Br ZINC000086481806 179301074 /nfs/dbraw/zinc/30/10/74/179301074.db2.gz NDWVWPMJHRCLIQ-UHFFFAOYSA-N 1 0 288.189 2.147 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1c1nc([C@@H]2Cc3ccccc32)no1 ZINC000086486464 179301779 /nfs/dbraw/zinc/30/17/79/179301779.db2.gz WMZBPKFUDNRBLR-WQAKAFBOSA-N 1 0 255.321 2.081 10 0 CEAERO C[C@@]1(c2nc([C@@H]3Cc4ccccc43)no2)CC[NH2+]C1 ZINC000086486215 179301923 /nfs/dbraw/zinc/30/19/23/179301923.db2.gz ISQHKYFJXPNYNK-IUODEOHRSA-N 1 0 255.321 2.009 10 0 CEAERO c1ccc2c(c1)C[C@@H]2c1noc(C[C@H]2CCC[NH2+]C2)n1 ZINC000086486576 179301978 /nfs/dbraw/zinc/30/19/78/179301978.db2.gz OIFLQBMVJBBZQE-RISCZKNCSA-N 1 0 269.348 2.300 10 0 CEAERO C[C@]1(c2nc([C@H]3Cc4ccccc43)no2)CCC[NH2+]1 ZINC000086486594 179302032 /nfs/dbraw/zinc/30/20/32/179302032.db2.gz LYWHRNMTZFRKSK-SWLSCSKDSA-N 1 0 255.321 2.356 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc2c(cc1SC)OCCO2 ZINC000086506954 179302893 /nfs/dbraw/zinc/30/28/93/179302893.db2.gz AUNDWYDRHIKJOI-SNVBAGLBSA-N 1 0 253.367 2.460 10 0 CEAERO CCn1c(C[NH2+]CCc2c[nH]cn2)nc2ccccc21 ZINC000086507181 179303422 /nfs/dbraw/zinc/30/34/22/179303422.db2.gz PUEJFWUZNDQNEV-UHFFFAOYSA-N 1 0 269.352 2.112 10 0 CEAERO [NH2+]=C1NC[C@H](c2cc(Cl)ccc2Br)N1 ZINC000086457430 179296263 /nfs/dbraw/zinc/29/62/63/179296263.db2.gz XQWBDQQWMAQFAC-MRVPVSSYSA-N 1 0 274.549 2.062 10 0 CEAERO COC(OC)[C@H]([NH3+])Cc1ccc(F)c(Br)c1 ZINC000086451787 179296430 /nfs/dbraw/zinc/29/64/30/179296430.db2.gz OPTYWUOGGJTSBY-SNVBAGLBSA-N 1 0 292.148 2.077 10 0 CEAERO CC[C@H]1CN(Cc2nc(-c3ccco3)no2)[C@@H](CC)C[NH2+]1 ZINC000086465660 179296991 /nfs/dbraw/zinc/29/69/91/179296991.db2.gz RAOHCOMNIORMQT-RYUDHWBXSA-N 1 0 290.367 2.292 10 0 CEAERO Cc1ccc(-c2nnc(CN3C[C@@H](C)[NH2+]C[C@@H]3C)o2)cc1 ZINC000086470426 179300004 /nfs/dbraw/zinc/30/00/04/179300004.db2.gz HLYQWFCKHDKWEP-OLZOCXBDSA-N 1 0 286.379 2.227 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1CCS(=O)(=O)c1cccs1 ZINC000086548449 179307224 /nfs/dbraw/zinc/30/72/24/179307224.db2.gz QDGDAJMIFRRKFU-VHSXEESVSA-N 1 0 259.396 2.039 10 0 CEAERO C[C@H]1CN(c2cscc2Br)CC[NH2+]1 ZINC000086556317 179307655 /nfs/dbraw/zinc/30/76/55/179307655.db2.gz DUPJXTRYLPBNGR-ZETCQYMHSA-N 1 0 261.188 2.309 10 0 CEAERO CC(C)C[NH2+]CC1(S(C)(=O)=O)CC(C(C)(C)C)C1 ZINC000086560060 179307700 /nfs/dbraw/zinc/30/77/00/179307700.db2.gz RVUXFPOXETVKSA-UHFFFAOYSA-N 1 0 275.458 2.472 10 0 CEAERO O[C@H](C[NH2+]C1CC1)c1cscc1Br ZINC000086558345 179308159 /nfs/dbraw/zinc/30/81/59/179308159.db2.gz GGUGIRBWBGKSMZ-SECBINFHSA-N 1 0 262.172 2.296 10 0 CEAERO CC[C@@H]1COCCN1[C@@H](C[NH3+])c1ccc(OC)c(Cl)c1 ZINC000086586532 179309839 /nfs/dbraw/zinc/30/98/39/179309839.db2.gz YKCONTLJRNWARW-OCCSQVGLSA-N 1 0 298.814 2.459 10 0 CEAERO CN(CC(C)(C)C[NH3+])c1nc(Br)cs1 ZINC000086638621 179314793 /nfs/dbraw/zinc/31/47/93/179314793.db2.gz HVDBRCHJAVXGMM-UHFFFAOYSA-N 1 0 278.219 2.327 10 0 CEAERO Cc1nc(SCc2ccnc(C(N)=[NH2+])c2)nc(C)c1C ZINC000086643835 179315768 /nfs/dbraw/zinc/31/57/68/179315768.db2.gz IFWGFOBSBMONTO-UHFFFAOYSA-N 1 0 287.392 2.373 10 0 CEAERO CC[NH2+][C@H]1CCOC[C@@H]1Sc1nc(C)c(C)c(C)n1 ZINC000086646619 179316450 /nfs/dbraw/zinc/31/64/50/179316450.db2.gz YLKCIJBUWWPJLL-STQMWFEESA-N 1 0 281.425 2.261 10 0 CEAERO CCC(CC)(CC)NS(=O)(=O)c1ccc(CC[NH3+])cc1 ZINC000086647081 179316655 /nfs/dbraw/zinc/31/66/55/179316655.db2.gz RZNSQEVBLCRNOY-UHFFFAOYSA-N 1 0 298.452 2.435 10 0 CEAERO CS(=O)(=O)[C@@H]1CCC[C@H]1[NH2+]CC1CCCCC1 ZINC000086672217 179317969 /nfs/dbraw/zinc/31/79/69/179317969.db2.gz ZYABCIHXHCBUJK-CHWSQXEVSA-N 1 0 259.415 2.122 10 0 CEAERO C[NH+](C)Cc1ccc(N[C@@H]2CCC[C@@H]2S(C)(=O)=O)cc1 ZINC000086674567 179318289 /nfs/dbraw/zinc/31/82/89/179318289.db2.gz GDTHOQZPYLYLEH-CABCVRRESA-N 1 0 296.436 2.126 10 0 CEAERO Cc1cccc(CC[NH2+][C@@H]2CCC[C@H]2S(C)(=O)=O)c1 ZINC000086675838 179319501 /nfs/dbraw/zinc/31/95/01/179319501.db2.gz DGHKEQNESBOHND-HUUCEWRRSA-N 1 0 281.421 2.093 10 0 CEAERO COC[C@H]([NH2+][C@@H]1CCS(=O)(=O)c2ccccc21)C(C)C ZINC000086696938 179320456 /nfs/dbraw/zinc/32/04/56/179320456.db2.gz RGJMENLUVMSLHO-KGLIPLIRSA-N 1 0 297.420 2.166 10 0 CEAERO NN=c1[nH]cc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)s1 ZINC000086768139 179325710 /nfs/dbraw/zinc/32/57/10/179325710.db2.gz SLTXDZJHMDVVJZ-ZETCQYMHSA-N 1 0 280.319 2.203 10 0 CEAERO NN=c1[nH]cc(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)s1 ZINC000086767403 179326193 /nfs/dbraw/zinc/32/61/93/179326193.db2.gz XMPJUJHGVPWPOG-GHMZBOCLSA-N 1 0 266.414 2.441 10 0 CEAERO CCNC(=O)CCOC1(C[NH3+])CCC(C(C)C)CC1 ZINC000086713541 179322618 /nfs/dbraw/zinc/32/26/18/179322618.db2.gz KXMXRPBUJTYYOM-UHFFFAOYSA-N 1 0 270.417 2.073 10 0 CEAERO CCCNC(=O)COC1(C[NH3+])CCC(CCC)CC1 ZINC000086713353 179322636 /nfs/dbraw/zinc/32/26/36/179322636.db2.gz NYHARPCPRDAQBC-UHFFFAOYSA-N 1 0 270.417 2.217 10 0 CEAERO CCCC1CCC(C[NH3+])(OCC(=O)NCC(C)C)CC1 ZINC000086713349 179322831 /nfs/dbraw/zinc/32/28/31/179322831.db2.gz ZYPOTLSDOHTXMT-UHFFFAOYSA-N 1 0 284.444 2.463 10 0 CEAERO C[C@H]1CCC[C@@](C[NH3+])(OCCCn2ccnc2)C1 ZINC000086713016 179322889 /nfs/dbraw/zinc/32/28/89/179322889.db2.gz CONJNJPIQOJOQM-UONOGXRCSA-N 1 0 251.374 2.197 10 0 CEAERO C[C@H]([NH2+][C@@H](CN(C)C)c1ccccc1)[C@@H]1CCOC1 ZINC000128695745 187384715 /nfs/dbraw/zinc/38/47/15/187384715.db2.gz YOACEURTUHMIIS-IMJJTQAJSA-N 1 0 262.397 2.304 10 0 CEAERO COC(=O)[C@@]1(Nc2ccc(F)cc2)CCC[N@H+](C)CC1 ZINC000086833207 179348756 /nfs/dbraw/zinc/34/87/56/179348756.db2.gz OKSFEDQSFYTAPE-OAHLLOKOSA-N 1 0 280.343 2.265 10 0 CEAERO CC[C@](C)([NH3+])C(=O)Nc1cc(C)c(Br)cn1 ZINC000086808686 179340504 /nfs/dbraw/zinc/34/05/04/179340504.db2.gz JVSBBHDRTXTGDV-NSHDSACASA-N 1 0 286.173 2.218 10 0 CEAERO CCCC1(C(=O)[O-])CC[NH+]([C@@H]2CCC[N@H+](C)CC2)CC1 ZINC000086834571 179349538 /nfs/dbraw/zinc/34/95/38/179349538.db2.gz QBIKLNVAIMJBPA-CQSZACIVSA-N 1 0 282.428 2.438 10 0 CEAERO COC(=O)c1ccc(N[C@H]2CCC[N@H+](C)CC2)cc1 ZINC000086817475 179344503 /nfs/dbraw/zinc/34/45/03/179344503.db2.gz ZYBJMRCRKXRKLN-ZDUSSCGKSA-N 1 0 262.353 2.369 10 0 CEAERO CC(=O)N1CCc2cc(N[C@H]3CCC[N@@H+](C)CC3)ccc21 ZINC000086817752 179345738 /nfs/dbraw/zinc/34/57/38/179345738.db2.gz LLAXVBWDMHJCEY-HNNXBMFYSA-N 1 0 287.407 2.492 10 0 CEAERO C[N@@H+]1CCC[C@@](O)([C@@H]2CCc3ccccc3N2)CC1 ZINC000086834093 179350157 /nfs/dbraw/zinc/35/01/57/179350157.db2.gz DTEPFLLPCGUNRR-HOTGVXAUSA-N 1 0 260.381 2.260 10 0 CEAERO CC[N@@H+]1CCC[C@@H](N[C@@H](C)c2nnc3ccccn32)CC1 ZINC000086838193 179351032 /nfs/dbraw/zinc/35/10/32/179351032.db2.gz YJMOMLYSFXLSTQ-UONOGXRCSA-N 1 0 287.411 2.254 10 0 CEAERO COC(=O)[C@H](N[C@@H]1CCC[N@@H+](C(C)C)CC1)C(C)C ZINC000086837383 179351797 /nfs/dbraw/zinc/35/17/97/179351797.db2.gz JAHJRVWWTMJGOR-ZIAGYGMSSA-N 1 0 270.417 2.037 10 0 CEAERO Cc1nccc(CN[C@@H]2CCC[N@@H+](C(C)C)CC2)n1 ZINC000086842070 179352956 /nfs/dbraw/zinc/35/29/56/179352956.db2.gz LFLJDZJHXPURNU-CQSZACIVSA-N 1 0 262.401 2.138 10 0 CEAERO CC[N@@H+]1CCC[C@@H](N[C@@H](C)c2cnn(C)c2C)CC1 ZINC000086840648 179353519 /nfs/dbraw/zinc/35/35/19/179353519.db2.gz GSFGVPVUUNVOOJ-GXTWGEPZSA-N 1 0 264.417 2.254 10 0 CEAERO CC[NH+](CC)[C@]1(C(=O)[O-])CCC[N@@H+](C(C)C)CC1 ZINC000086867798 179360650 /nfs/dbraw/zinc/36/06/50/179360650.db2.gz ODPJPTZSVGQBML-CQSZACIVSA-N 1 0 256.390 2.046 10 0 CEAERO CC[N@@H+]1CCC[C@H]([NH2+]C2CCC(C(=O)[O-])CC2)CC1 ZINC000086868698 179361664 /nfs/dbraw/zinc/36/16/64/179361664.db2.gz LSNMBZULYDDLLA-MOKVOYLWSA-N 1 0 268.401 2.094 10 0 CEAERO CC(C)C[N@H+](CC(=O)[O-])[C@H]1CCC[NH+](C(C)C)CC1 ZINC000086869091 179361903 /nfs/dbraw/zinc/36/19/03/179361903.db2.gz LENUKLLHCORLMA-AWEZNQCLSA-N 1 0 270.417 2.292 10 0 CEAERO CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000086869160 179362515 /nfs/dbraw/zinc/36/25/15/179362515.db2.gz ZRYUMUXUCGSNNU-MELADBBJSA-N 1 0 268.401 2.094 10 0 CEAERO CC[N@@H+]1CCC[C@@]([NH2+]Cc2ccccc2)(C(=O)[O-])CC1 ZINC000086849884 179358653 /nfs/dbraw/zinc/35/86/53/179358653.db2.gz KPNBCLFKHPKQRZ-INIZCTEOSA-N 1 0 276.380 2.105 10 0 CEAERO COC(=O)C[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000086851576 179359442 /nfs/dbraw/zinc/35/94/42/179359442.db2.gz ATCAGCZBJYMTBX-NSHDSACASA-N 1 0 272.142 2.186 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH2+]C)c1ccccc1OC ZINC000086978360 179372384 /nfs/dbraw/zinc/37/23/84/179372384.db2.gz YZRIAMSQQQDMJV-ZDUSSCGKSA-N 1 0 285.409 2.171 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH3+])c1ccc(C)c(F)c1 ZINC000086978640 179372436 /nfs/dbraw/zinc/37/24/36/179372436.db2.gz AWQGRUGOOWCZOT-CYBMUJFWSA-N 1 0 273.373 2.349 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH3+])Cc1cccc(Cl)c1 ZINC000086978580 179372624 /nfs/dbraw/zinc/37/26/24/179372624.db2.gz DNTCUJUXAKCXMH-CYBMUJFWSA-N 1 0 289.828 2.425 10 0 CEAERO CCCn1ccnc1[C@H]([NH3+])[C@H]1CSCCS1 ZINC000086984269 179374003 /nfs/dbraw/zinc/37/40/03/179374003.db2.gz SMOOVMQMGMQIGM-NXEZZACHSA-N 1 0 257.428 2.142 10 0 CEAERO CC[NH2+][C@@H](CCCS(=O)(=O)CC)COc1ccccc1 ZINC000086979379 179373184 /nfs/dbraw/zinc/37/31/84/179373184.db2.gz JTPNQYPWHRVKQV-AWEZNQCLSA-N 1 0 299.436 2.258 10 0 CEAERO CC[NH2+][C@@H]1CCC[C@H](CCCS(=O)(=O)CC)C1 ZINC000086981712 179373797 /nfs/dbraw/zinc/37/37/97/179373797.db2.gz QDHMQYKPRFNCTD-CHWSQXEVSA-N 1 0 261.431 2.370 10 0 CEAERO CCOC(=O)[C@@]1(NCC[NH+](C)C)CCC[C@H](C)CC1 ZINC000086891992 179366225 /nfs/dbraw/zinc/36/62/25/179366225.db2.gz OXTPMPFXSZNCHB-DZGCQCFKSA-N 1 0 270.417 2.040 10 0 CEAERO C[C@@H]1CCC[C@@](C[NH3+])(N2CCOC(C)(C)C2)CC1 ZINC000086890719 179366276 /nfs/dbraw/zinc/36/62/76/179366276.db2.gz VXFAWBSEPOKRMW-UKRRQHHQSA-N 1 0 254.418 2.395 10 0 CEAERO C[C@@H]1CCC[C@](CN)([N@H+](C)C2CCOCC2)CC1 ZINC000086890730 179366282 /nfs/dbraw/zinc/36/62/82/179366282.db2.gz YGKWXFAMCOSQAT-HIFRSBDPSA-N 1 0 254.418 2.395 10 0 CEAERO CCOC(=O)[C@]1(NCC[NH+](C)C)CCC[C@H](CC)CC1 ZINC000086915944 179367181 /nfs/dbraw/zinc/36/71/81/179367181.db2.gz VIAWLYLBTMGEQY-HOCLYGCPSA-N 1 0 284.444 2.430 10 0 CEAERO CC[NH2+][C@H]1CCC[C@H](CCCS(=O)(=O)CC)C1 ZINC000086981714 179373816 /nfs/dbraw/zinc/37/38/16/179373816.db2.gz QDHMQYKPRFNCTD-OLZOCXBDSA-N 1 0 261.431 2.370 10 0 CEAERO CCC[C@@H]1CCC[C@H]([NH2+]C2CCN(CC(N)=O)CC2)CC1 ZINC000086943273 179367946 /nfs/dbraw/zinc/36/79/46/179367946.db2.gz PYLSQZXPVQAKNW-CABCVRRESA-N 1 0 295.471 2.275 10 0 CEAERO CCN(CC)CC[NH2+][C@]1(C(N)=O)CCC[C@H](C(C)C)CC1 ZINC000086949375 179369066 /nfs/dbraw/zinc/36/90/66/179369066.db2.gz SJVRAJOWEGGFNU-DOTOQJQBSA-N 1 0 297.487 2.378 10 0 CEAERO CCC[C@H]1CCC[C@](NCC[NH+](C)C)(C(=O)OC)CC1 ZINC000086949892 179369069 /nfs/dbraw/zinc/36/90/69/179369069.db2.gz WFAOADSZRPTFJC-GOEBONIOSA-N 1 0 284.444 2.430 10 0 CEAERO C[NH2+][C@@H](Cc1ccccn1)[C@H]1CSCCS1 ZINC000086984805 179373823 /nfs/dbraw/zinc/37/38/23/179373823.db2.gz ORDIMQUBWCUMIX-NWDGAFQWSA-N 1 0 254.424 2.061 10 0 CEAERO CCC[NH2+][C@H](CCCOC)Cc1cnn(CC)c1 ZINC000086970954 179370590 /nfs/dbraw/zinc/37/05/90/179370590.db2.gz GYUZDGMIAVRXEF-CQSZACIVSA-N 1 0 253.390 2.240 10 0 CEAERO CCC[NH2+][C@H]1CCC[C@@H]1c1nc(CCCOC)no1 ZINC000086971987 179370592 /nfs/dbraw/zinc/37/05/92/179370592.db2.gz QBOOFQVCPQCXFQ-RYUDHWBXSA-N 1 0 267.373 2.284 10 0 CEAERO CCS(=O)(=O)CCC[C@@]1([NH3+])CCc2ccccc21 ZINC000086977306 179372080 /nfs/dbraw/zinc/37/20/80/179372080.db2.gz ZIHDSABEAKIQNZ-CQSZACIVSA-N 1 0 267.394 2.002 10 0 CEAERO CCS(=O)(=O)CCC[C@@](C)([NH3+])c1ccccc1 ZINC000086977320 179372084 /nfs/dbraw/zinc/37/20/84/179372084.db2.gz RARGVFZRMRXYCU-CYBMUJFWSA-N 1 0 255.383 2.075 10 0 CEAERO COc1cc([C@H](C)[NH2+]CC2(O)CCCC2)ccc1O ZINC000087015646 179379584 /nfs/dbraw/zinc/37/95/84/179379584.db2.gz TZMDCNQUWSPAKI-NSHDSACASA-N 1 0 265.353 2.357 10 0 CEAERO CC[C@@](C)(O)C[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000087028071 179381658 /nfs/dbraw/zinc/38/16/58/179381658.db2.gz LPSRJJRPLCNUDG-QWHCGFSZSA-N 1 0 257.761 2.124 10 0 CEAERO CCC(O)(CC)C[NH2+][C@@H](C)C(=O)Nc1ccccc1 ZINC000087028590 179381665 /nfs/dbraw/zinc/38/16/65/179381665.db2.gz LBMLNLCKRPTDKH-LBPRGKRZSA-N 1 0 264.369 2.154 10 0 CEAERO COc1ccc([C@H]2[C@@H](C[NH2+]C(C)C)OCCN2C)cc1F ZINC000086995008 179375904 /nfs/dbraw/zinc/37/59/04/179375904.db2.gz AWQSKHCTILTULJ-CVEARBPZSA-N 1 0 296.386 2.204 10 0 CEAERO CCc1cc(NN)[nH+]c(-c2ccc(OC)c(F)c2)n1 ZINC000086994246 179375959 /nfs/dbraw/zinc/37/59/59/179375959.db2.gz OWXAKBCGKPWJHX-UHFFFAOYSA-N 1 0 262.288 2.139 10 0 CEAERO COc1ccc([C@H]2[C@@H]([NH3+])CCC(=O)N2CC(C)C)cc1F ZINC000086995208 179376066 /nfs/dbraw/zinc/37/60/66/179376066.db2.gz LKDZZIIELZSZJO-BBRMVZONSA-N 1 0 294.370 2.481 10 0 CEAERO CCC1CCC(O)(C[NH2+]Cc2cccn2C)CC1 ZINC000087053625 179389224 /nfs/dbraw/zinc/38/92/24/179389224.db2.gz KRIPZAFXUGHTHD-UHFFFAOYSA-N 1 0 250.386 2.446 10 0 CEAERO C[C@@H]1C[C@@H]([NH3+])CN(C(=O)c2ccc(Cl)s2)C1 ZINC000087040611 179386951 /nfs/dbraw/zinc/38/69/51/179386951.db2.gz KUELAYWWUVJZTR-HTQZYQBOSA-N 1 0 258.774 2.211 10 0 CEAERO C[NH2+]CCc1nc2cc(Br)ccc2o1 ZINC000087049537 179388814 /nfs/dbraw/zinc/38/88/14/179388814.db2.gz GXFMBRIRMLHOSR-UHFFFAOYSA-N 1 0 255.115 2.352 10 0 CEAERO C[C@H](c1nc(CSC(C)(C)C)no1)N1CC[NH2+]CC1 ZINC000087115826 179395381 /nfs/dbraw/zinc/39/53/81/179395381.db2.gz YCHRDJVVVSLBCX-SNVBAGLBSA-N 1 0 284.429 2.068 10 0 CEAERO CCS(=O)(=O)CCC[C@H](CSC(C)(C)C)[NH2+]C ZINC000087117455 179395438 /nfs/dbraw/zinc/39/54/38/179395438.db2.gz RRUXDWOZUFBHRW-LLVKDONJSA-N 1 0 281.487 2.321 10 0 CEAERO CC(C)(C)OC[C@@H](O)C[NH2+]CC1(O)CCC(C)(C)CC1 ZINC000087064073 179390372 /nfs/dbraw/zinc/39/03/72/179390372.db2.gz NZYANWUKXYJVAI-ZDUSSCGKSA-N 1 0 287.444 2.083 10 0 CEAERO CC(C)[NH2+][C@H]1CCCN(CC2(O)CCC(C)(C)CC2)C1=O ZINC000087071288 179391283 /nfs/dbraw/zinc/39/12/83/179391283.db2.gz SZNXNDFNFVGECS-AWEZNQCLSA-N 1 0 296.455 2.307 10 0 CEAERO C[NH2+][C@@H](CSC(C)(C)C)Cc1ccnc(N)c1 ZINC000087117533 179395542 /nfs/dbraw/zinc/39/55/42/179395542.db2.gz RGXSCPUYBUDJSG-LLVKDONJSA-N 1 0 253.415 2.326 10 0 CEAERO CC(C)(C)SCc1noc(C[C@H]2CCC[NH2+]2)n1 ZINC000087115666 179395655 /nfs/dbraw/zinc/39/56/55/179395655.db2.gz ZPSDAWDQCNXZFL-SECBINFHSA-N 1 0 255.387 2.396 10 0 CEAERO O[C@H](C[NH2+]CC1(O)CCCCCC1)c1cccs1 ZINC000087089217 179393673 /nfs/dbraw/zinc/39/36/73/179393673.db2.gz ULJNMZZPKRRBJE-GFCCVEGCSA-N 1 0 269.410 2.456 10 0 CEAERO CCC[C@@]1(C(=O)NCC2(O)CCCCCC2)CCC[NH2+]C1 ZINC000087089954 179393785 /nfs/dbraw/zinc/39/37/85/179393785.db2.gz NIFFOJVFEZSATA-MRXNPFEDSA-N 1 0 296.455 2.358 10 0 CEAERO COC[C@H](C)[NH2+]CCOCc1cccc(Cl)c1 ZINC000087096436 179394100 /nfs/dbraw/zinc/39/41/00/179394100.db2.gz YQWCGHBIHFUAPT-NSHDSACASA-N 1 0 257.761 2.481 10 0 CEAERO Nc1cc(C[C@@H]([NH3+])CSC2CCCC2)ccn1 ZINC000087144020 179397499 /nfs/dbraw/zinc/39/74/99/179397499.db2.gz XTNIORPYWOOVFA-LLVKDONJSA-N 1 0 251.399 2.209 10 0 CEAERO COC[C@H](C)N(C)Cc1csc(C[NH2+]C(C)(C)C)n1 ZINC000052511276 522596808 /nfs/dbraw/zinc/59/68/08/522596808.db2.gz AOZFJWHGRPYAFI-NSHDSACASA-N 1 0 285.457 2.498 10 0 CEAERO [NH3+]CCCN(C(=O)C[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000087203746 179401098 /nfs/dbraw/zinc/40/10/98/179401098.db2.gz GAUGJGMAYLABMS-AWEZNQCLSA-N 1 0 280.343 2.077 10 0 CEAERO CC(C)CSCc1nc(C[NH2+]C(C)C)cc(=O)[nH]1 ZINC000087126391 179396163 /nfs/dbraw/zinc/39/61/63/179396163.db2.gz IVANPOROQRCSBF-UHFFFAOYSA-N 1 0 269.414 2.157 10 0 CEAERO COCC[C@@H](O)[C@H](C[NH3+])c1ccc(OCC(C)C)cc1 ZINC000087381722 179417766 /nfs/dbraw/zinc/41/77/66/179417766.db2.gz MMLMXEFEAXAYML-HZPDHXFCSA-N 1 0 281.396 2.161 10 0 CEAERO CC(C)[C@H](C[NH3+])NC(=O)c1cc(Cl)ccc1F ZINC000087403366 179419539 /nfs/dbraw/zinc/41/95/39/179419539.db2.gz PVNZAUXAKIUOIF-NSHDSACASA-N 1 0 258.724 2.192 10 0 CEAERO C[C@H]1c2cccn2CCN1Cc1cnn2cccnc12 ZINC000067740537 362921125 /nfs/dbraw/zinc/92/11/25/362921125.db2.gz RRKWSJPWXSEPPR-LBPRGKRZSA-N 1 0 267.336 2.108 10 0 CEAERO CC(C)(C)c1nsc(NCCC[NH2+]C2CC2)n1 ZINC000087642383 179462426 /nfs/dbraw/zinc/46/24/26/179462426.db2.gz ZHFOSZXGQAZTIP-UHFFFAOYSA-N 1 0 254.403 2.390 10 0 CEAERO [NH3+][C@H]1CCCCC[C@H]1Nc1nc(C2CC2)ns1 ZINC000087642644 179462670 /nfs/dbraw/zinc/46/26/70/179462670.db2.gz PPKFOOJJLPOPDV-VHSXEESVSA-N 1 0 252.387 2.487 10 0 CEAERO C[C@@H]([NH3+])CCC[C@H](C)c1nc(-c2ccn(C)n2)no1 ZINC000087672483 179467374 /nfs/dbraw/zinc/46/73/74/179467374.db2.gz GBBABYBQHVYOAZ-VHSXEESVSA-N 1 0 263.345 2.091 10 0 CEAERO CNC(=O)c1cccc(NC(=O)[C@H](C)CCC[C@H](C)[NH3+])c1 ZINC000087699487 179472888 /nfs/dbraw/zinc/47/28/88/179472888.db2.gz JWGRZQAEHLNQID-NEPJUHHUSA-N 1 0 291.395 2.138 10 0 CEAERO CC[C@H](C[NH3+])C(=O)N[C@H](C)c1c(F)cccc1F ZINC000087523146 179440110 /nfs/dbraw/zinc/44/01/10/179440110.db2.gz HGKVKBZNCAFXPJ-RKDXNWHRSA-N 1 0 256.296 2.127 10 0 CEAERO Cc1nn(C(C)C)c(C)c1NC(=O)[C@@H](C[NH3+])C(C)C ZINC000087523978 179440354 /nfs/dbraw/zinc/44/03/54/179440354.db2.gz BJBWFNMLOGZESD-LBPRGKRZSA-N 1 0 266.389 2.250 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)N(CCOC)Cc1cccs1 ZINC000087525008 179440575 /nfs/dbraw/zinc/44/05/75/179440575.db2.gz RJZXGIMSBKAGBW-LBPRGKRZSA-N 1 0 284.425 2.098 10 0 CEAERO CC[C@H](C[NH3+])C(=O)N(Cc1ccc(C)cc1)C1CC1 ZINC000087525832 179441304 /nfs/dbraw/zinc/44/13/04/179441304.db2.gz OLTQNMBRMIUIEZ-CQSZACIVSA-N 1 0 260.381 2.471 10 0 CEAERO Cc1cc(C(=O)N[C@H]2CCCC[NH2+]C2)sc1C ZINC000087568402 179446540 /nfs/dbraw/zinc/44/65/40/179446540.db2.gz SUNXSGIRZDSHFP-NSHDSACASA-N 1 0 252.383 2.237 10 0 CEAERO CC(C)(C)[N@@H+]1CCN[C@H](c2cccc3ccnnc32)C1 ZINC000616634158 348542040 /nfs/dbraw/zinc/54/20/40/348542040.db2.gz MUEWAEXZUVARCX-AWEZNQCLSA-N 1 0 270.380 2.375 10 0 CEAERO Cc1c(OCC(C)C)nc(C(C)(C)C)[nH+]c1NN ZINC000087919150 179523423 /nfs/dbraw/zinc/52/34/23/179523423.db2.gz MIUGQDPJWRXXRV-UHFFFAOYSA-N 1 0 252.362 2.403 10 0 CEAERO COc1ccc([C@H](C[NH3+])NC[C@@H]2CCCO2)cc1Cl ZINC000087928629 179523793 /nfs/dbraw/zinc/52/37/93/179523793.db2.gz BBNKXBHXIHBBKZ-AAEUAGOBSA-N 1 0 284.787 2.117 10 0 CEAERO CCC(CC)n1ccc(C[C@](C)(C[NH3+])[C@H](C)O)n1 ZINC000087931973 179526464 /nfs/dbraw/zinc/52/64/64/179526464.db2.gz CKRVYAFGURXOQR-SMDDNHRTSA-N 1 0 253.390 2.133 10 0 CEAERO c1n[nH]cc1[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000616651581 348548537 /nfs/dbraw/zinc/54/85/37/348548537.db2.gz CAZVYZOENHNEMQ-HNNXBMFYSA-N 1 0 257.337 2.373 10 0 CEAERO C[C@@H]([NH2+]Cc1ccccc1-n1cccn1)C(C)(C)O ZINC000087818624 179492345 /nfs/dbraw/zinc/49/23/45/179492345.db2.gz HUOALWRROABOQV-GFCCVEGCSA-N 1 0 259.353 2.121 10 0 CEAERO CC(C)C1CCC(C[NH3+])([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000087961238 179528923 /nfs/dbraw/zinc/52/89/23/179528923.db2.gz JPEAQAMXSLMRHN-ROKHWSDSSA-N 1 0 273.442 2.212 10 0 CEAERO CSc1nc(N[C@H]2CCC[C@H](C)C2)cc(NN)[nH+]1 ZINC000087852981 179501156 /nfs/dbraw/zinc/50/11/56/179501156.db2.gz FJVMULZFRITWPN-IUCAKERBSA-N 1 0 267.402 2.475 10 0 CEAERO CC(C)C[C@@H]1CCN(C(=O)C2CCCC2)C[C@@H]1[NH3+] ZINC000616571819 348524406 /nfs/dbraw/zinc/52/44/06/348524406.db2.gz SFTPVVLYZQBAMH-KBPBESRZSA-N 1 0 252.402 2.399 10 0 CEAERO CC[C@H]([NH3+])Cc1cnc([C@H]2COc3ccccc3O2)nc1 ZINC000087860912 179504166 /nfs/dbraw/zinc/50/41/66/179504166.db2.gz CEXAMGVVVSMYNT-SWLSCSKDSA-N 1 0 285.347 2.269 10 0 CEAERO CCN(Cc1cccs1)c1nc[nH+]c(NN)c1C ZINC000087864518 179505294 /nfs/dbraw/zinc/50/52/94/179505294.db2.gz QZVLMIFDVBTWBZ-UHFFFAOYSA-N 1 0 263.370 2.159 10 0 CEAERO NC(=O)c1ccccc1[C@H]1CCN(CC[NH3+])c2ccccc21 ZINC000616589120 348526773 /nfs/dbraw/zinc/52/67/73/348526773.db2.gz PUGZBNXRFDHPBM-CQSZACIVSA-N 1 0 295.386 2.086 10 0 CEAERO [NH3+]CCN1CCOCC[C@@H]1c1ccc(Cl)cc1 ZINC000616658975 348551010 /nfs/dbraw/zinc/55/10/10/348551010.db2.gz WTBGYGRFYJWUKL-CYBMUJFWSA-N 1 0 254.761 2.062 10 0 CEAERO CC(C)(C)[N@@H+]1CCOC[C@H]1c1ccccc1CCO ZINC000616602653 348531876 /nfs/dbraw/zinc/53/18/76/348531876.db2.gz TZQXEZRAANPUGW-HNNXBMFYSA-N 1 0 263.381 2.393 10 0 CEAERO CCOC(=O)c1ccccc1[C@@H]1CCC[N@H+](CCO)C1 ZINC000616611762 348534084 /nfs/dbraw/zinc/53/40/84/348534084.db2.gz VBQSUVUPFFTIKH-CYBMUJFWSA-N 1 0 277.364 2.035 10 0 CEAERO OCC[N@@H+]1CCC[C@H](c2ccc3cccnc3c2)C1 ZINC000616618536 348535561 /nfs/dbraw/zinc/53/55/61/348535561.db2.gz YXDFBDWDQDSOBG-HNNXBMFYSA-N 1 0 256.349 2.407 10 0 CEAERO Nc1cc[nH+]cc1C[C@H](O)[C@@H]1CCc2ccccc21 ZINC000088016132 179536002 /nfs/dbraw/zinc/53/60/02/179536002.db2.gz REMPIPSVWBNIGW-ZBFHGGJFSA-N 1 0 254.333 2.297 10 0 CEAERO C[NH2+][C@@H](c1cnccc1N)C1Cc2ccccc2C1 ZINC000088029481 179537094 /nfs/dbraw/zinc/53/70/94/179537094.db2.gz OWEDNTNYEIAVLT-MRXNPFEDSA-N 1 0 253.349 2.339 10 0 CEAERO CCc1nc([C@@H]2COc3ccccc3C2)[nH+]c(NN)c1C ZINC000088038861 179537716 /nfs/dbraw/zinc/53/77/16/179537716.db2.gz FOQHUJCUBDYODK-LBPRGKRZSA-N 1 0 284.363 2.352 10 0 CEAERO CC[N@H+](CCc1ccc2c(c1)CCO2)C[C@H](C)C(N)=S ZINC000088102379 179547632 /nfs/dbraw/zinc/54/76/32/179547632.db2.gz LOYKDAXKYDQMEJ-LBPRGKRZSA-N 1 0 292.448 2.408 10 0 CEAERO CC[C@H](C)NC(=O)CC[NH2+]CCc1ccc2c(c1)CCO2 ZINC000088101347 179547718 /nfs/dbraw/zinc/54/77/18/179547718.db2.gz UFLXGKAMZSCJML-ZDUSSCGKSA-N 1 0 290.407 2.058 10 0 CEAERO c1cc(CC[NH2+]C[C@@H]2CCCOC2)cc2c1OCC2 ZINC000088101361 179548105 /nfs/dbraw/zinc/54/81/05/179548105.db2.gz HFVKLTQXSSLKHZ-AWEZNQCLSA-N 1 0 261.365 2.180 10 0 CEAERO C[NH2+][C@H](CCc1ccc(OC)cc1)c1ccn(C)n1 ZINC000088105586 179550005 /nfs/dbraw/zinc/55/00/05/179550005.db2.gz JNJIISOKCBLTSX-CQSZACIVSA-N 1 0 259.353 2.322 10 0 CEAERO [NH3+]C1(C(=O)Nc2cccc(-c3nccs3)c2)CC1 ZINC000088130273 179553880 /nfs/dbraw/zinc/55/38/80/179553880.db2.gz KCOOEJJMSOEYLM-UHFFFAOYSA-N 1 0 259.334 2.240 10 0 CEAERO C[C@@H](Oc1cccc2c1CCC[C@H]2[NH3+])C(=O)NC1CC1 ZINC000088150779 179557128 /nfs/dbraw/zinc/55/71/28/179557128.db2.gz ZOYNKAGECFHKMK-QMTHXVAHSA-N 1 0 274.364 2.069 10 0 CEAERO Cc1cc(-c2noc([C@@H]3C[NH2+]C[C@@H]3C)n2)cc(C)c1O ZINC000088153372 179558391 /nfs/dbraw/zinc/55/83/91/179558391.db2.gz PRUDSLLPOYQBFE-CMPLNLGQSA-N 1 0 273.336 2.382 10 0 CEAERO CC(C)C[C@@H](C[NH3+])Cc1nc(Cc2ccncc2)no1 ZINC000088275440 179573992 /nfs/dbraw/zinc/57/39/92/179573992.db2.gz XLETZXZVLXUCQD-CYBMUJFWSA-N 1 0 274.368 2.219 10 0 CEAERO CC(C)C[C@@H](C[NH3+])Cc1nc2cc3c(cc2[nH]1)OCCO3 ZINC000088275146 179574026 /nfs/dbraw/zinc/57/40/26/179574026.db2.gz GPMCKYCSBYPCSP-LLVKDONJSA-N 1 0 289.379 2.498 10 0 CEAERO Nc1cccc([C@H]2COCC[N@H+](Cc3ccccc3)C2)n1 ZINC000616663485 348553603 /nfs/dbraw/zinc/55/36/03/348553603.db2.gz QDABDECJILIOMV-OAHLLOKOSA-N 1 0 283.375 2.280 10 0 CEAERO COc1ccccc1C[C@@H](C)N(C)C[C@@H]1CCC[NH2+]1 ZINC000088194948 179563428 /nfs/dbraw/zinc/56/34/28/179563428.db2.gz GRWCFDNEEUMFQJ-HIFRSBDPSA-N 1 0 262.397 2.310 10 0 CEAERO [NH3+]CCN1C[C@@H](c2ccc(CO)cc2)Nc2ccccc21 ZINC000616692667 348562745 /nfs/dbraw/zinc/56/27/45/348562745.db2.gz KQDUSIUMWDFNSN-INIZCTEOSA-N 1 0 283.375 2.111 10 0 CEAERO CCOc1ccccc1OCCOC[C@H]1CC[NH2+]C1 ZINC000088412725 179594619 /nfs/dbraw/zinc/59/46/19/179594619.db2.gz GYWTVLCKTBEHPR-ZDUSSCGKSA-N 1 0 265.353 2.090 10 0 CEAERO CCOc1ccccc1OCCC[C@H]([NH3+])COC ZINC000088413338 179594755 /nfs/dbraw/zinc/59/47/55/179594755.db2.gz GMFHVZMAMTWPDL-LBPRGKRZSA-N 1 0 253.342 2.218 10 0 CEAERO CN(CCC(F)(F)F)C(=O)C1(C[NH3+])CCCCC1 ZINC000088418723 179597111 /nfs/dbraw/zinc/59/71/11/179597111.db2.gz FTHFODCJIPGQDC-UHFFFAOYSA-N 1 0 266.307 2.306 10 0 CEAERO C[C@H]([NH2+]CCN1CCC(C(F)(F)F)CC1)[C@H]1CCCO1 ZINC000088438424 179601394 /nfs/dbraw/zinc/60/13/94/179601394.db2.gz RYZBZFDUCNLWNC-WCQYABFASA-N 1 0 294.361 2.418 10 0 CEAERO CN(CCC(F)(F)F)C(=O)C[C@H]1CCC[C@H]([NH3+])C1 ZINC000088438831 179602817 /nfs/dbraw/zinc/60/28/17/179602817.db2.gz DXCBBZDWCOWAOB-UWVGGRQHSA-N 1 0 266.307 2.305 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H](C(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000088449201 179605340 /nfs/dbraw/zinc/60/53/40/179605340.db2.gz SMPRCHHOCCCSMQ-BVOGVELGSA-N 1 0 276.424 2.317 10 0 CEAERO Cc1cncc(C(=O)N(C)Cc2ccc(C[NH3+])cc2)c1 ZINC000088448585 179605359 /nfs/dbraw/zinc/60/53/59/179605359.db2.gz SYDFBFORMBFMCP-UHFFFAOYSA-N 1 0 269.348 2.121 10 0 CEAERO CC(C)C[C@H](C[NH3+])CC(=O)NCCc1ccc(O)cc1 ZINC000088277912 179574612 /nfs/dbraw/zinc/57/46/12/179574612.db2.gz ZJVVHCHXQDCOAX-AWEZNQCLSA-N 1 0 278.396 2.062 10 0 CEAERO CN(CCC[NH3+])C(=O)CCN1CCCCc2ccccc21 ZINC000088332796 179578946 /nfs/dbraw/zinc/57/89/46/179578946.db2.gz BBWRNOQRCURALB-UHFFFAOYSA-N 1 0 289.423 2.027 10 0 CEAERO CC[NH2+][C@H](Cc1ncnn1C)Cc1ccc(C)c(C)c1 ZINC000088582103 179629706 /nfs/dbraw/zinc/62/97/06/179629706.db2.gz MKGBXDWTONXYNV-HNNXBMFYSA-N 1 0 272.396 2.195 10 0 CEAERO Cn1ncnc1C[C@@H](C[NH2+]C1CC1)Cc1ccc(F)cc1 ZINC000088583059 179630347 /nfs/dbraw/zinc/63/03/47/179630347.db2.gz MQHZOURPGSSKGG-ZDUSSCGKSA-N 1 0 288.370 2.108 10 0 CEAERO CC[NH2+][C@H](C)[C@@H]1CCCCN1Cc1ncnn1CC(C)C ZINC000088584848 179630516 /nfs/dbraw/zinc/63/05/16/179630516.db2.gz DRVNORGBNBMWNQ-CABCVRRESA-N 1 0 293.459 2.287 10 0 CEAERO CC[NH2+][C@@H](CCc1ccccc1)Cc1ncnn1CC ZINC000088611013 179638564 /nfs/dbraw/zinc/63/85/64/179638564.db2.gz YKPOMJDXCMGWPR-HNNXBMFYSA-N 1 0 272.396 2.451 10 0 CEAERO CCCn1ncnc1C[C@@H](Cc1cccs1)[NH2+]C ZINC000088611634 179638617 /nfs/dbraw/zinc/63/86/17/179638617.db2.gz ILPWPWGPPMSHHT-LLVKDONJSA-N 1 0 264.398 2.123 10 0 CEAERO CC[NH2+][C@@H](Cc1ncnn1CC)C1Cc2ccccc2C1 ZINC000088616933 179639965 /nfs/dbraw/zinc/63/99/65/179639965.db2.gz MIRHCIZVPCISMJ-INIZCTEOSA-N 1 0 284.407 2.234 10 0 CEAERO C[NH2+]CC1(Cc2ncnn2CC(C)C)CCCC1 ZINC000088621090 179641305 /nfs/dbraw/zinc/64/13/05/179641305.db2.gz XHVFBUMCLBDAAX-UHFFFAOYSA-N 1 0 250.390 2.256 10 0 CEAERO C[NH2+][C@@H](Cc1ccncc1)[C@@H]1COc2ccccc2C1 ZINC000088531227 179619136 /nfs/dbraw/zinc/61/91/36/179619136.db2.gz JWTVLIMLVBNIJU-HOTGVXAUSA-N 1 0 268.360 2.463 10 0 CEAERO CC[NH2+]C1CCC(c2nc(COCC)no2)CC1 ZINC000088739208 179661443 /nfs/dbraw/zinc/66/14/43/179661443.db2.gz XZNBCNGFOYSPRR-UHFFFAOYSA-N 1 0 253.346 2.242 10 0 CEAERO O=C(C[NH2+][C@@H]1CC=CCC1)Nc1ccc2c(c1)OCCO2 ZINC000088748469 179663971 /nfs/dbraw/zinc/66/39/71/179663971.db2.gz FGGCBZPXDIXBNE-GFCCVEGCSA-N 1 0 288.347 2.095 10 0 CEAERO CCN(C(=O)[C@H]1C[NH2+]C[C@H]1C)c1ccccc1F ZINC000104220760 185934646 /nfs/dbraw/zinc/93/46/46/185934646.db2.gz QRGQLSDFJWFEMU-MNOVXSKESA-N 1 0 250.317 2.034 10 0 CEAERO Cc1cc(S(=O)(=O)N2CCCC2(C)C)sc1C[NH3+] ZINC000089034853 179692403 /nfs/dbraw/zinc/69/24/03/179692403.db2.gz WGMDYBXDPQFHMK-UHFFFAOYSA-N 1 0 288.438 2.078 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CCC[C@@H]1c1ccsc1 ZINC000104227137 185936758 /nfs/dbraw/zinc/93/67/58/185936758.db2.gz JXMMTBQBCZDFRI-KGYLQXTDSA-N 1 0 264.394 2.267 10 0 CEAERO CN(C(=O)c1c[nH]c2ccccc12)[C@H]1CCC[C@H]1C[NH3+] ZINC000089110645 179705174 /nfs/dbraw/zinc/70/51/74/179705174.db2.gz XJLRQTIRCBWEOJ-NHYWBVRUSA-N 1 0 271.364 2.367 10 0 CEAERO CN(C(=O)c1ccc2[nH]ccc2c1)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089110363 179705450 /nfs/dbraw/zinc/70/54/50/179705450.db2.gz JONKPXNSTDNYPI-HIFRSBDPSA-N 1 0 271.364 2.367 10 0 CEAERO CCCCN(C)c1c(C[C@@H]([NH3+])CC)c(C)nn1C ZINC000104254325 185944686 /nfs/dbraw/zinc/94/46/86/185944686.db2.gz WGEFWQSUBRGNCU-LBPRGKRZSA-N 1 0 252.406 2.245 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)CCc1c[nH]c2ccccc12 ZINC000089090886 539688817 /nfs/dbraw/zinc/68/88/17/539688817.db2.gz MXIHWHOWKKTGMK-WFASDCNBSA-N 1 0 285.391 2.344 10 0 CEAERO CCN(C(=O)c1ccc(O)cc1O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089134417 179714319 /nfs/dbraw/zinc/71/43/19/179714319.db2.gz IORCRZXYUQUEFD-BXUZGUMPSA-N 1 0 292.379 2.077 10 0 CEAERO CN(CC(F)(F)F)c1c(F)cc(CC[NH3+])cc1F ZINC000104268840 185949603 /nfs/dbraw/zinc/94/96/03/185949603.db2.gz MPWJVOFIKBHBEI-UHFFFAOYSA-N 1 0 268.229 2.465 10 0 CEAERO COc1ccccc1CC(=O)N(C)[C@H]1CCCC[C@H]1C[NH3+] ZINC000089119810 179711693 /nfs/dbraw/zinc/71/16/93/179711693.db2.gz MNIKNZYEVDBWFD-GJZGRUSLSA-N 1 0 290.407 2.214 10 0 CEAERO CN(C(=O)c1ccc2c(c1)CCO2)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089119616 179711697 /nfs/dbraw/zinc/71/16/97/179711697.db2.gz PSTGFSVSKRDZFM-LSDHHAIUSA-N 1 0 288.391 2.211 10 0 CEAERO CN(C(=O)c1ccc(F)cc1)[C@H]1CCCC[C@H]1C[NH3+] ZINC000089119903 179712004 /nfs/dbraw/zinc/71/20/04/179712004.db2.gz AKWWUJWDUQRNKZ-JSGCOSHPSA-N 1 0 264.344 2.415 10 0 CEAERO CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1[NH2+]C1CCOCC1 ZINC000089148181 179723968 /nfs/dbraw/zinc/72/39/68/179723968.db2.gz HZKLHQWCYQFGLK-TZMCWYRMSA-N 1 0 298.427 2.448 10 0 CEAERO Cc1csc2nc(C)c(C[NH2+]C[C@@H]3CCC[C@H]3O)n12 ZINC000089161937 179730193 /nfs/dbraw/zinc/73/01/93/179730193.db2.gz FZCVKKRTPGWYEC-WCQYABFASA-N 1 0 279.409 2.263 10 0 CEAERO CN(Cc1cccs1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089450701 539715824 /nfs/dbraw/zinc/71/58/24/539715824.db2.gz RNXJKSKMKSKJNN-PWSUYJOCSA-N 1 0 252.383 2.082 10 0 CEAERO CCOc1cc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])ccc1OC ZINC000089454044 539716571 /nfs/dbraw/zinc/71/65/71/539716571.db2.gz QZSYHFFQGWITDU-YPMHNXCESA-N 1 0 292.379 2.407 10 0 CEAERO CCc1cc(CC2(C[NH2+]CCOC)CCCC2)n(C)n1 ZINC000089206109 179754233 /nfs/dbraw/zinc/75/42/33/179754233.db2.gz VAVHRKVIUPYLDK-UHFFFAOYSA-N 1 0 279.428 2.321 10 0 CEAERO CCc1cc(CN2C[C@H](C)[NH2+]C[C@@H]2CC(C)C)n(C)n1 ZINC000089208968 179754848 /nfs/dbraw/zinc/75/48/48/179754848.db2.gz AKWGVMYBZKISQM-ZFWWWQNUSA-N 1 0 278.444 2.191 10 0 CEAERO CCc1cc(CN2C[C@](C)(C3CC3)[NH2+]C[C@@H]2CC)n(C)n1 ZINC000089210764 179755973 /nfs/dbraw/zinc/75/59/73/179755973.db2.gz WCTAISSKMXGWNC-DOTOQJQBSA-N 1 0 290.455 2.335 10 0 CEAERO Cc1ccc(CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])s1 ZINC000089461339 539718849 /nfs/dbraw/zinc/71/88/49/539718849.db2.gz CRNHDOBHUFXHSU-CMPLNLGQSA-N 1 0 252.383 2.048 10 0 CEAERO CCn1nc(C)c(Cl)c1CN1CC[NH2+]C(C)(C)C1 ZINC000089304490 179767486 /nfs/dbraw/zinc/76/74/86/179767486.db2.gz BXEAYKQGIZIJSK-UHFFFAOYSA-N 1 0 270.808 2.049 10 0 CEAERO CCc1nn(C)c(C[NH2+][C@@H](C)CCOC)c1Cl ZINC000089319225 179768589 /nfs/dbraw/zinc/76/85/89/179768589.db2.gz WRKDXALLJIQAHV-VIFPVBQESA-N 1 0 259.781 2.151 10 0 CEAERO C[C@H](OCc1ccccc1)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000404442558 233193169 /nfs/dbraw/zinc/19/31/69/233193169.db2.gz YLIILDZTZMGGNP-JSGCOSHPSA-N 1 0 278.396 2.081 10 0 CEAERO CCn1nc(C)c(Cl)c1CN1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000089282000 179764426 /nfs/dbraw/zinc/76/44/26/179764426.db2.gz RCIWEAMCHAYBGC-NXEZZACHSA-N 1 0 270.808 2.047 10 0 CEAERO Cc1ccc(CN(C)C(=O)[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089450121 179792363 /nfs/dbraw/zinc/79/23/63/179792363.db2.gz JXWUTUXPHPBAJR-CABCVRRESA-N 1 0 260.381 2.328 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCCc1c[nH]c2ccccc12 ZINC000089459979 179795449 /nfs/dbraw/zinc/79/54/49/179795449.db2.gz YTMCQRPTNQEHQQ-SWLSCSKDSA-N 1 0 285.391 2.202 10 0 CEAERO CN(C(=O)[C@@H]1CCC[C@H]1C[NH3+])c1ccc(F)cc1 ZINC000089461170 179795875 /nfs/dbraw/zinc/79/58/75/179795875.db2.gz RBSGSBMXXYDBOX-GXFFZTMASA-N 1 0 250.317 2.164 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1CNC(=O)c1cccc(F)c1F ZINC000089531585 179811408 /nfs/dbraw/zinc/81/14/08/179811408.db2.gz GYOHAKYUNVYLGW-QWRGUYRKSA-N 1 0 282.334 2.460 10 0 CEAERO CS(=O)(=O)c1ccccc1NC[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089532377 179811632 /nfs/dbraw/zinc/81/16/32/179811632.db2.gz ASZXEVYXTBQSEI-CHWSQXEVSA-N 1 0 296.436 2.267 10 0 CEAERO COc1ccc(CC2(O)CCC([NH3+])CC2)cc1F ZINC000089539355 179814116 /nfs/dbraw/zinc/81/41/16/179814116.db2.gz OQUATOONMQFSGX-UHFFFAOYSA-N 1 0 253.317 2.009 10 0 CEAERO C[C@@H]1C[N@H+](CC2(O)CCC2)CCN1Cc1ccccc1 ZINC000411118452 233220436 /nfs/dbraw/zinc/22/04/36/233220436.db2.gz XJEKBCQPZVPZPI-OAHLLOKOSA-N 1 0 274.408 2.108 10 0 CEAERO COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2CO)cc1F ZINC000089494341 179802865 /nfs/dbraw/zinc/80/28/65/179802865.db2.gz XVNUTYHUPPUBCP-STQMWFEESA-N 1 0 267.344 2.333 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1CNC(=O)c1cc(F)c(F)c(F)c1 ZINC000089500260 179805141 /nfs/dbraw/zinc/80/51/41/179805141.db2.gz MJFIYROAIGECRE-IUCAKERBSA-N 1 0 286.297 2.209 10 0 CEAERO CCC(C)(C)C1CCC([NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC000089755813 179861859 /nfs/dbraw/zinc/86/18/59/179861859.db2.gz PKKRMFZPWJEMKF-WXRRBKDZSA-N 1 0 280.412 2.376 10 0 CEAERO C[C@H]1CCC[C@@H](C[NH2+]CCC(=O)N2CCCC2)C1 ZINC000089604800 179828178 /nfs/dbraw/zinc/82/81/78/179828178.db2.gz ZKGYGILKHWCXFT-UONOGXRCSA-N 1 0 252.402 2.415 10 0 CEAERO CCCN([C@H](C)CCc1ccc(O)cc1)C1C[NH2+]C1 ZINC000090292759 179951205 /nfs/dbraw/zinc/95/12/05/179951205.db2.gz AJBRCXZZWHLMKB-CYBMUJFWSA-N 1 0 262.397 2.397 10 0 CEAERO [NH3+]Cc1cc(=O)[nH]c(CSc2ccccc2Cl)n1 ZINC000090235316 179937204 /nfs/dbraw/zinc/93/72/04/179937204.db2.gz VUFIKXVVIADNGN-UHFFFAOYSA-N 1 0 281.768 2.174 10 0 CEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C(=O)c1ccc(Cl)o1 ZINC000090331160 179962329 /nfs/dbraw/zinc/96/23/29/179962329.db2.gz PWCWRENCCSHNAE-KXUCPTDWSA-N 1 0 268.744 2.003 10 0 CEAERO Cc1cc(C(=O)N2C[C@@H]3C[NH2+]C[C@@H]3C2(C)C)sc1C ZINC000090336610 179965049 /nfs/dbraw/zinc/96/50/49/179965049.db2.gz CEIATDWNWQTLHU-RYUDHWBXSA-N 1 0 278.421 2.435 10 0 CEAERO Cc1ccnc(-c2noc([C@H]3CCCC[C@@H]3[NH3+])n2)c1 ZINC000104412669 185993055 /nfs/dbraw/zinc/99/30/55/185993055.db2.gz MAKSBGZYJDLACL-QWRGUYRKSA-N 1 0 258.325 2.425 10 0 CEAERO CC1(C)[C@H]2C[NH2+]C[C@H]2CN1c1ncccc1Cl ZINC000090338660 179966573 /nfs/dbraw/zinc/96/65/73/179966573.db2.gz AZZKRYGJVVEHCA-UWVGGRQHSA-N 1 0 251.761 2.169 10 0 CEAERO C[C@@H](C[NH3+])CSCC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000090350951 179972831 /nfs/dbraw/zinc/97/28/31/179972831.db2.gz HCIFIADICOITPN-QWRGUYRKSA-N 1 0 284.400 2.331 10 0 CEAERO CC[NH2+][C@@H]1COC[C@@H]1C(=O)N[C@@H](C)c1cc(C)sc1C ZINC000090489022 179991389 /nfs/dbraw/zinc/99/13/89/179991389.db2.gz XUODWHJGJUVQOU-LEWSCRJBSA-N 1 0 296.436 2.167 10 0 CEAERO CCCCOc1ccc(C[NH2+][C@H]2CCOC[C@H]2O)cc1 ZINC000623763804 350105701 /nfs/dbraw/zinc/10/57/01/350105701.db2.gz QDUFDRNCEPTYFW-JKSUJKDBSA-N 1 0 279.380 2.105 10 0 CEAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000623767296 350107359 /nfs/dbraw/zinc/10/73/59/350107359.db2.gz TXNISVUSEQWPHE-NWDGAFQWSA-N 1 0 293.260 2.084 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1c1nc2ccc(F)cc2n1C ZINC000090527123 179997767 /nfs/dbraw/zinc/99/77/67/179997767.db2.gz NYXDFTYUDZQRAU-DGCLKSJQSA-N 1 0 277.343 2.194 10 0 CEAERO Cc1sc2[nH]c(CSCC3C[NH2+]C3)nc(=O)c2c1C ZINC000090713141 180028439 /nfs/dbraw/zinc/02/84/39/180028439.db2.gz JUWQLRMCSMLLCI-UHFFFAOYSA-N 1 0 295.433 2.054 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1c1nnc(C)n1-c1ccccc1 ZINC000090534651 179999512 /nfs/dbraw/zinc/99/95/12/179999512.db2.gz VVTWIUCIQNFBEN-CABCVRRESA-N 1 0 286.379 2.058 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(C)cc1F ZINC000090539537 180000101 /nfs/dbraw/zinc/00/01/01/180000101.db2.gz DLVOGTSLILTAAJ-SMDDNHRTSA-N 1 0 280.343 2.087 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccc(C)cc1F ZINC000090539538 180000172 /nfs/dbraw/zinc/00/01/72/180000172.db2.gz DLVOGTSLILTAAJ-FZMZJTMJSA-N 1 0 280.343 2.087 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N(C)C1CCC(C)CC1 ZINC000090541776 180000278 /nfs/dbraw/zinc/00/02/78/180000278.db2.gz UFRKXMXRMYEKBD-PFSRBDOWSA-N 1 0 282.428 2.038 10 0 CEAERO CCCCN(CCCC)C(=O)[C@H]1COC[C@@H]1[NH2+]CCC ZINC000090539661 180000508 /nfs/dbraw/zinc/00/05/08/180000508.db2.gz NOLIENPIFSMHHF-GJZGRUSLSA-N 1 0 284.444 2.430 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccccc1OCC ZINC000090538541 180000573 /nfs/dbraw/zinc/00/05/73/180000573.db2.gz ROLGZXKZMRJKNX-GXTWGEPZSA-N 1 0 292.379 2.038 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)N1CCCC(C)(C)CC1 ZINC000090546386 180000927 /nfs/dbraw/zinc/00/09/27/180000927.db2.gz ZPPFQEBALZNOMO-KGLIPLIRSA-N 1 0 282.428 2.040 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N1CCC2(CCCC2)CC1 ZINC000090545173 180000932 /nfs/dbraw/zinc/00/09/32/180000932.db2.gz LRUZKEPQGOXMCA-LSDHHAIUSA-N 1 0 294.439 2.184 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)N[C@@H](C)c1ccccc1C ZINC000090543497 180001032 /nfs/dbraw/zinc/00/10/32/180001032.db2.gz VBMYTRYHQOIMIZ-BPUTZDHNSA-N 1 0 290.407 2.187 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)N(C)CC1CCCCC1 ZINC000090542193 180001328 /nfs/dbraw/zinc/00/13/28/180001328.db2.gz UIGDEYXACCBJRK-CABCVRRESA-N 1 0 282.428 2.040 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1CN(C)c1ccccc1C ZINC000090566717 180006502 /nfs/dbraw/zinc/00/65/02/180006502.db2.gz OJCSTEAHZRNKSK-CABCVRRESA-N 1 0 262.397 2.446 10 0 CEAERO Cc1ccc2c(c1)nc([C@@]1(C)COC[C@H]1[NH3+])n2C1CC1 ZINC000090571707 180007633 /nfs/dbraw/zinc/00/76/33/180007633.db2.gz XAYTYTVQBKOAJM-ZBFHGGJFSA-N 1 0 271.364 2.295 10 0 CEAERO CCc1ccc(NC(=O)CSCC2C[NH2+]C2)cc1 ZINC000090712238 180028762 /nfs/dbraw/zinc/02/87/62/180028762.db2.gz IHNPRHFTNOSRTD-UHFFFAOYSA-N 1 0 264.394 2.140 10 0 CEAERO Cc1cccc(C(C)C)c1NC(=O)[C@@]1(C)COC[C@H]1[NH3+] ZINC000090580752 180008805 /nfs/dbraw/zinc/00/88/05/180008805.db2.gz ONLZSOYVNGGFCO-CJNGLKHVSA-N 1 0 276.380 2.421 10 0 CEAERO CCC[C@H](NC(=O)[C@@]1(C)COC[C@@H]1[NH3+])c1cccs1 ZINC000090600535 180010921 /nfs/dbraw/zinc/01/09/21/180010921.db2.gz NUCQBYDDWKOVAB-JKOKRWQUSA-N 1 0 282.409 2.069 10 0 CEAERO CC(C)[N@H+](Cc1ccccc1)C[C@@]1(C)COC[C@@H]1N ZINC000090606319 180011537 /nfs/dbraw/zinc/01/15/37/180011537.db2.gz NKRYCWAGBOULFQ-HOTGVXAUSA-N 1 0 262.397 2.261 10 0 CEAERO C[C@@H]1C[C@H]([NH3+])CC[C@@H]1C(=O)NCC1(C)CCCC1 ZINC000104438845 186002514 /nfs/dbraw/zinc/00/25/14/186002514.db2.gz DSBJPQRDLPKPFP-UPJWGTAASA-N 1 0 252.402 2.446 10 0 CEAERO CC[NH2+]C[C@@H]1CC[C@H](CO[C@@H](C)C(F)(F)F)O1 ZINC000090675476 180022235 /nfs/dbraw/zinc/02/22/35/180022235.db2.gz HNJUHVIJTJTCIH-LPEHRKFASA-N 1 0 255.280 2.111 10 0 CEAERO C[C@@H](OCCn1cc(C[NH2+]C(C)(C)C)nn1)C(F)(F)F ZINC000090675447 180022248 /nfs/dbraw/zinc/02/22/48/180022248.db2.gz XZLMYFXKYUJGDM-SECBINFHSA-N 1 0 294.321 2.134 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)CCO[C@@H](C)C(F)(F)F ZINC000090676038 180022273 /nfs/dbraw/zinc/02/22/73/180022273.db2.gz AGYWMGQGCRVKKI-UWVGGRQHSA-N 1 0 257.296 2.093 10 0 CEAERO CCCCOCC[NH2+]CCO[C@@H](C)C(F)(F)F ZINC000090675808 180022668 /nfs/dbraw/zinc/02/26/68/180022668.db2.gz XBVKGAKRJZCQLP-JTQLQIEISA-N 1 0 257.296 2.360 10 0 CEAERO Cc1nc2sccn2c1CN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000090721088 180031095 /nfs/dbraw/zinc/03/10/95/180031095.db2.gz AUCGKXIIYWJGEN-ZYHUDNBSSA-N 1 0 278.425 2.277 10 0 CEAERO COC(=O)c1cc(NC[C@@H](C)C[NH+]2CCCCC2)ccn1 ZINC000090737380 180034457 /nfs/dbraw/zinc/03/44/57/180034457.db2.gz PLNVQKZMYCODLA-CYBMUJFWSA-N 1 0 291.395 2.402 10 0 CEAERO COC(=O)c1cc(OC[C@@H]2CCCC[C@H]2C[NH3+])ccn1 ZINC000090739933 180035226 /nfs/dbraw/zinc/03/52/26/180035226.db2.gz XRKNJQNILWIPMG-RYUDHWBXSA-N 1 0 278.352 2.012 10 0 CEAERO CCOc1cc(N(C)c2cccc(C[NH3+])c2)ncn1 ZINC000090784280 180039572 /nfs/dbraw/zinc/03/95/72/180039572.db2.gz FQXPKOMLGKVJLB-UHFFFAOYSA-N 1 0 258.325 2.102 10 0 CEAERO C[N@@H+]1CCC[C@@H]1CCOc1ncncc1Br ZINC000090782961 180039642 /nfs/dbraw/zinc/03/96/42/180039642.db2.gz JBWUCCNABSBQGV-SECBINFHSA-N 1 0 286.173 2.102 10 0 CEAERO CCCOc1cc(NC2(C[NH3+])CCCCC2)ncn1 ZINC000090785715 180040310 /nfs/dbraw/zinc/04/03/10/180040310.db2.gz XBPSTUHYQPQZHX-UHFFFAOYSA-N 1 0 264.373 2.339 10 0 CEAERO CC(C)Oc1cc(NC[C@H]2CCC[C@@H]2C[NH3+])ncn1 ZINC000090786669 180040661 /nfs/dbraw/zinc/04/06/61/180040661.db2.gz AKRBIDSZDLIXJE-VXGBXAGGSA-N 1 0 264.373 2.051 10 0 CEAERO COc1cc(NC[C@@H](C)C[NH+]2CCCCC2)nc(C)n1 ZINC000090791957 180042614 /nfs/dbraw/zinc/04/26/14/180042614.db2.gz XDKWENRYEXAFPI-GFCCVEGCSA-N 1 0 278.400 2.328 10 0 CEAERO CCOc1ncnc(NC[C@@H]2CCCC[N@@H+]2C)c1C ZINC000090791180 180042922 /nfs/dbraw/zinc/04/29/22/180042922.db2.gz DUNQBJKVRXVZKK-LBPRGKRZSA-N 1 0 264.373 2.080 10 0 CEAERO C[C@H](C[NH2+]C1C2CC3CC(C2)CC1C3)[S@](C)=O ZINC000090842605 180044072 /nfs/dbraw/zinc/04/40/72/180044072.db2.gz XLJJEWTYMWRIMY-WPFMBZNQSA-N 1 0 255.427 2.168 10 0 CEAERO COc1ccc([C@H](C)[NH2+]C[C@@H](C)[S@](C)=O)cc1 ZINC000090843427 180044220 /nfs/dbraw/zinc/04/42/20/180044220.db2.gz CFSRQQAITAUHKH-VGTOOOLASA-N 1 0 255.383 2.113 10 0 CEAERO Cc1nn(C)c(C)c1O[C@H]1C[C@@H]([NH3+])C12CCCCC2 ZINC000090865720 180048019 /nfs/dbraw/zinc/04/80/19/180048019.db2.gz HKWNMONCYOACNL-OLZOCXBDSA-N 1 0 263.385 2.466 10 0 CEAERO CCN(CC)C(=O)[C@@H](C)Sc1cccc(C[NH3+])c1 ZINC000090870498 180049157 /nfs/dbraw/zinc/04/91/57/180049157.db2.gz JWZHHOJIOJKEBX-LLVKDONJSA-N 1 0 266.410 2.494 10 0 CEAERO C[NH2+]Cc1cccc(SCC(=O)N(C)C2CC2)c1 ZINC000090870663 180049410 /nfs/dbraw/zinc/04/94/10/180049410.db2.gz VKRKDPSXKWZGPM-UHFFFAOYSA-N 1 0 264.394 2.119 10 0 CEAERO C[C@@H](CN1CCCCC1)[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000090874410 180050284 /nfs/dbraw/zinc/05/02/84/180050284.db2.gz BPKOKKUHVTZSPA-HOCLYGCPSA-N 1 0 274.408 2.454 10 0 CEAERO CC(C)[NH2+]Cc1ccnn1C[C@H]1Cc2ccccc2O1 ZINC000090877783 180052209 /nfs/dbraw/zinc/05/22/09/180052209.db2.gz GIVBVFOMEUSTKW-OAHLLOKOSA-N 1 0 271.364 2.385 10 0 CEAERO CCC[NH2+]Cc1ccnn1C[C@H]1Cc2ccccc2O1 ZINC000090877781 180052383 /nfs/dbraw/zinc/05/23/83/180052383.db2.gz NLNDGROJOBVYEJ-OAHLLOKOSA-N 1 0 271.364 2.386 10 0 CEAERO CC[C@@H](C)NC(=O)CC[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892249 180053693 /nfs/dbraw/zinc/05/36/93/180053693.db2.gz XGLUVYRKODHJLV-RISCZKNCSA-N 1 0 294.370 2.024 10 0 CEAERO C[NH2+][C@H](CC[C@H]1Cc2cc(F)ccc2O1)COC ZINC000090893992 180056197 /nfs/dbraw/zinc/05/61/97/180056197.db2.gz URVJQOAHBFZIBO-OLZOCXBDSA-N 1 0 253.317 2.144 10 0 CEAERO CC[C@H](C)NC(=O)CC[NH2+]C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090897485 180057125 /nfs/dbraw/zinc/05/71/25/180057125.db2.gz LZFAVOFCIUGSPO-ZFWWWQNUSA-N 1 0 290.407 2.193 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[NH2+]C[C@H]1CCCCN1C)O2 ZINC000090897796 180057181 /nfs/dbraw/zinc/05/71/81/180057181.db2.gz PIOOAYBJVAQCJE-HZPDHXFCSA-N 1 0 274.408 2.372 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](C[NH2+][C@H](C)Cn1cccn1)O2 ZINC000090897575 180057283 /nfs/dbraw/zinc/05/72/83/180057283.db2.gz TTXGHRMNFIJQPL-HIFRSBDPSA-N 1 0 271.364 2.173 10 0 CEAERO C[C@@H]1C[NH2+][C@H](C2CC2)CN1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090896179 180057389 /nfs/dbraw/zinc/05/73/89/180057389.db2.gz KDOWREJNXKSHPE-RLCCDNCMSA-N 1 0 290.382 2.202 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[NH2+][C@H]1CCCC[C@@H]1O)O2 ZINC000090897920 180057542 /nfs/dbraw/zinc/05/75/42/180057542.db2.gz IVTHXDXNLNQAHZ-ILXRZTDVSA-N 1 0 261.365 2.192 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](CN(C)CC[NH2+]CC(C)C)O2 ZINC000090898974 180058502 /nfs/dbraw/zinc/05/85/02/180058502.db2.gz JMNFTEGWOBUTMK-INIZCTEOSA-N 1 0 276.424 2.476 10 0 CEAERO Cc1ccc2c(c1)C[C@H](CN1CCC[NH2+]C(C)(C)C1)O2 ZINC000090902507 180059813 /nfs/dbraw/zinc/05/98/13/180059813.db2.gz BADQAYMEJQQUBK-OAHLLOKOSA-N 1 0 274.408 2.372 10 0 CEAERO Clc1ccc2c(c1)C[C@@H](C[NH2+]C[C@H]1CCCO1)O2 ZINC000090903342 180060341 /nfs/dbraw/zinc/06/03/41/180060341.db2.gz UJDGFFUSWIHTBX-OLZOCXBDSA-N 1 0 267.756 2.412 10 0 CEAERO Cc1ccc([C@H](O)CN2C[C@H]3CC[C@@H](C2)O3)cc1C ZINC000090906956 180060977 /nfs/dbraw/zinc/06/09/77/180060977.db2.gz XWHAUZWUMBNWNF-OWCLPIDISA-N 1 0 261.365 2.200 10 0 CEAERO C[NH2+][C@H](CN1C[C@H]2CC[C@@H](C1)O2)c1cc(C)ccc1C ZINC000090906045 180061287 /nfs/dbraw/zinc/06/12/87/180061287.db2.gz CTOOWTUZXVVHBU-HLLBOEOZSA-N 1 0 274.408 2.427 10 0 CEAERO COCCn1c2ccccc2nc1-c1csc(C[NH3+])n1 ZINC000090932859 180066460 /nfs/dbraw/zinc/06/64/60/180066460.db2.gz KZXSZOSFAGRTKQ-UHFFFAOYSA-N 1 0 288.376 2.265 10 0 CEAERO CCC1CCN(Cc2csc(CC[NH3+])n2)CC1 ZINC000090958152 180074767 /nfs/dbraw/zinc/07/47/67/180074767.db2.gz PKDYLJUBGQQXEG-UHFFFAOYSA-N 1 0 253.415 2.266 10 0 CEAERO CCN(CC)C(=O)[C@@H](C)[NH2+]Cc1sccc1NC(C)=O ZINC000090959999 180075293 /nfs/dbraw/zinc/07/52/93/180075293.db2.gz PEWJEXIEZLUICK-SNVBAGLBSA-N 1 0 297.424 2.053 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+]CCCCn1ccnc1 ZINC000090960538 180075314 /nfs/dbraw/zinc/07/53/14/180075314.db2.gz CQAWPXYANOUQKZ-UHFFFAOYSA-N 1 0 292.408 2.473 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+][C@H]1CCC[C@H](O)C1 ZINC000090960129 180075327 /nfs/dbraw/zinc/07/53/27/180075327.db2.gz JWCIYKIVCMYMMX-QWRGUYRKSA-N 1 0 268.382 2.100 10 0 CEAERO CC(C)C[C@@H](CN(C)C)[NH2+]Cc1sccc1N ZINC000090960133 180075362 /nfs/dbraw/zinc/07/53/62/180075362.db2.gz KUDRKQOSBKQKTC-NSHDSACASA-N 1 0 255.431 2.396 10 0 CEAERO CC(=O)Nc1ccsc1CNC[C@@H](C(C)C)[NH+](C)C ZINC000090959197 180075545 /nfs/dbraw/zinc/07/55/45/180075545.db2.gz QDBUPOZBHWOUCE-ZDUSSCGKSA-N 1 0 283.441 2.382 10 0 CEAERO Nc1ccsc1C[NH2+]C[C@H]1COc2ccccc2O1 ZINC000090959169 180075742 /nfs/dbraw/zinc/07/57/42/180075742.db2.gz RFCMAAKHFIMBKB-JTQLQIEISA-N 1 0 276.361 2.260 10 0 CEAERO Nc1ccccc1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000090961200 180075914 /nfs/dbraw/zinc/07/59/14/180075914.db2.gz APDWAQFCHYLZGA-UHFFFAOYSA-N 1 0 256.305 2.287 10 0 CEAERO Nc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1n1ccnc1 ZINC000090961939 180076113 /nfs/dbraw/zinc/07/61/13/180076113.db2.gz DCGGDHLBLQQWJY-CABCVRRESA-N 1 0 256.353 2.349 10 0 CEAERO CC[NH+](CC)CCNCc1ccccc1NC(C)=O ZINC000090961064 180076127 /nfs/dbraw/zinc/07/61/27/180076127.db2.gz WERMDHQIMUNDFA-UHFFFAOYSA-N 1 0 263.385 2.076 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+]C[C@@H]1CCC[C@@H]1CO ZINC000090960897 180076439 /nfs/dbraw/zinc/07/64/39/180076439.db2.gz DNPBTHVWZFGEER-NWDGAFQWSA-N 1 0 282.409 2.205 10 0 CEAERO [NH3+]CCc1ccc(NC(=O)[C@H]2Cc3ccccc32)cc1 ZINC000090982643 180079500 /nfs/dbraw/zinc/07/95/00/180079500.db2.gz OTUJYSUCGRMSHZ-INIZCTEOSA-N 1 0 266.344 2.466 10 0 CEAERO [NH3+]Cc1ccccc1NC(=O)[C@@H]1Cc2ccccc21 ZINC000090985574 180081028 /nfs/dbraw/zinc/08/10/28/180081028.db2.gz RYNMBVYLYUQYIU-CQSZACIVSA-N 1 0 252.317 2.424 10 0 CEAERO COc1ccccc1[C@H](C[NH3+])[C@@H](O)[C@@H]1Cc2ccccc21 ZINC000090991868 180081333 /nfs/dbraw/zinc/08/13/33/180081333.db2.gz NMMBBHJFDGMGJV-RYRKJORJSA-N 1 0 283.371 2.438 10 0 CEAERO [NH3+]C[C@H](c1ccccc1)[C@H](O)[C@@H]1Cc2ccccc21 ZINC000090991837 180081361 /nfs/dbraw/zinc/08/13/61/180081361.db2.gz PTRAILADXIVIPA-BRWVUGGUSA-N 1 0 253.345 2.430 10 0 CEAERO NC(=O)c1ccc(C[NH2+]C[C@H]2Cc3ccccc32)c(F)c1 ZINC000090992739 180082196 /nfs/dbraw/zinc/08/21/96/180082196.db2.gz LJNFHSSSOMXBOH-CQSZACIVSA-N 1 0 284.334 2.354 10 0 CEAERO CC[NH2+]Cc1cccn1Cc1ccc(C(=O)OC)cc1 ZINC000090995886 180082964 /nfs/dbraw/zinc/08/29/64/180082964.db2.gz XETCTYAHNVLGSL-UHFFFAOYSA-N 1 0 272.348 2.433 10 0 CEAERO CC[NH2+]Cc1cccn1CC(=O)Nc1ccccc1F ZINC000090995963 180083480 /nfs/dbraw/zinc/08/34/80/180083480.db2.gz WDGSBKZQFQIURH-UHFFFAOYSA-N 1 0 275.327 2.375 10 0 CEAERO CCCCOC(=O)Cn1ccc(C[NH2+]C(C)C)c1 ZINC000091003755 180083865 /nfs/dbraw/zinc/08/38/65/180083865.db2.gz NFINXGSKWUAFDW-UHFFFAOYSA-N 1 0 252.358 2.329 10 0 CEAERO Cc1ccc2c(c1)C[C@H](Cn1ccc(CC[NH3+])c1)O2 ZINC000091004837 180083923 /nfs/dbraw/zinc/08/39/23/180083923.db2.gz HKHGOIHPZZVUCK-OAHLLOKOSA-N 1 0 256.349 2.301 10 0 CEAERO CCn1ncnc1Cn1ccc(C[NH2+]C(C)(C)C)c1 ZINC000091004315 180083990 /nfs/dbraw/zinc/08/39/90/180083990.db2.gz RGQXDEUXYGOPKD-UHFFFAOYSA-N 1 0 261.373 2.036 10 0 CEAERO COCC[NH2+]Cc1cccn1CCOCCC(C)C ZINC000091002093 180084077 /nfs/dbraw/zinc/08/40/77/180084077.db2.gz LRMSTJLCIGFTOD-UHFFFAOYSA-N 1 0 268.401 2.287 10 0 CEAERO CC[NH2+]Cc1ccn(Cc2ccc(C(=O)OC)cc2)c1 ZINC000091003128 180084117 /nfs/dbraw/zinc/08/41/17/180084117.db2.gz JKPUMUQUUJOCND-UHFFFAOYSA-N 1 0 272.348 2.433 10 0 CEAERO CC[NH2+]Cc1ccn(Cc2nccn2C(F)F)c1 ZINC000091003292 180084231 /nfs/dbraw/zinc/08/42/31/180084231.db2.gz VHUMDXCYYPJFLK-UHFFFAOYSA-N 1 0 254.284 2.238 10 0 CEAERO CC(C)C[NH2+]Cc1ccn(CCC(=O)NC(C)C)c1 ZINC000091004377 180084287 /nfs/dbraw/zinc/08/42/87/180084287.db2.gz PCHZCTRSZRVPCP-UHFFFAOYSA-N 1 0 265.401 2.148 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccn(CCOCC(F)(F)F)c1 ZINC000091006232 180084775 /nfs/dbraw/zinc/08/47/75/180084775.db2.gz KMEQFMHFRSPJFC-LLVKDONJSA-N 1 0 264.291 2.347 10 0 CEAERO CCCn1ccc(C[NH2+][C@@H](CC(C)C)C(=O)NC)c1 ZINC000091012125 180086429 /nfs/dbraw/zinc/08/64/29/180086429.db2.gz XIOLBIPDSLDBPV-AWEZNQCLSA-N 1 0 265.401 2.148 10 0 CEAERO C[C@H]([NH3+])c1nc(-c2nc(Cc3ccncc3)no2)cs1 ZINC000090938927 180067917 /nfs/dbraw/zinc/06/79/17/180067917.db2.gz BQOUXNCPDSSFHF-QMMMGPOBSA-N 1 0 287.348 2.199 10 0 CEAERO CCO[C@@H](C)c1noc(-c2csc([C@H](C)[NH3+])n2)n1 ZINC000090939118 180068060 /nfs/dbraw/zinc/06/80/60/180068060.db2.gz JMFYWQCJERSUMZ-BQBZGAKWSA-N 1 0 268.342 2.310 10 0 CEAERO Cc1cccnc1-c1noc(-c2csc(CC[NH3+])n2)n1 ZINC000090938847 180068365 /nfs/dbraw/zinc/06/83/65/180068365.db2.gz CCRQVXUXRVOQGX-UHFFFAOYSA-N 1 0 287.348 2.065 10 0 CEAERO [NH3+]CCc1nc(-c2nc(-c3ccccc3)no2)cs1 ZINC000090938589 180068436 /nfs/dbraw/zinc/06/84/36/180068436.db2.gz LJHOBCUJRBKONO-UHFFFAOYSA-N 1 0 272.333 2.361 10 0 CEAERO Cc1cccc(NC(=O)c2csc(CC[NH3+])n2)c1 ZINC000090946188 180069337 /nfs/dbraw/zinc/06/93/37/180069337.db2.gz HKPCJHFOTDMPHU-UHFFFAOYSA-N 1 0 261.350 2.205 10 0 CEAERO [NH3+]CCc1nc(-c2n[nH]c(C3CCCCC3)n2)cs1 ZINC000090945087 180069431 /nfs/dbraw/zinc/06/94/31/180069431.db2.gz YTCNSQIKRGXFJE-UHFFFAOYSA-N 1 0 277.397 2.477 10 0 CEAERO C[C@@H]1CC[C@@H](c2noc(C[C@@H]3CSCC[NH2+]3)n2)C1 ZINC000091129247 180100847 /nfs/dbraw/zinc/10/08/47/180100847.db2.gz UZPFGXULERNTSN-GMTAPVOTSA-N 1 0 267.398 2.221 10 0 CEAERO C[C@@H]1CC[C@H](OC(=O)C[C@@H]2CSCC[NH2+]2)C[C@@H]1C ZINC000091130087 180101128 /nfs/dbraw/zinc/10/11/28/180101128.db2.gz BSJBCHMOVUPYEF-XQHKEYJVSA-N 1 0 271.426 2.449 10 0 CEAERO CCC1CCC(NC(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000091138587 180105843 /nfs/dbraw/zinc/10/58/43/180105843.db2.gz FOOKKNMPRZQTOA-WXRRBKDZSA-N 1 0 270.442 2.167 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@]2(C1)SCC[C@H]2C[NH3+] ZINC000091303529 180130459 /nfs/dbraw/zinc/13/04/59/180130459.db2.gz HDYLKQBEKCDYQJ-GXFFZTMASA-N 1 0 272.414 2.078 10 0 CEAERO CCNC(=O)C[C@@H](C[NH3+])N(C)[C@@H](C)c1cccc(Cl)c1 ZINC000091316433 180133520 /nfs/dbraw/zinc/13/35/20/180133520.db2.gz WCTCUUKAQDXTCX-FZMZJTMJSA-N 1 0 297.830 2.186 10 0 CEAERO [NH3+]C[C@H](CC(=O)N1CCCC1)Nc1cccc(Cl)c1 ZINC000091324900 180134607 /nfs/dbraw/zinc/13/46/07/180134607.db2.gz BDYNITNMKUSEJI-ZDUSSCGKSA-N 1 0 281.787 2.092 10 0 CEAERO Cc1cccc(N[C@H](C[NH3+])CC(=O)N2CCCCC2)c1 ZINC000091325680 180135101 /nfs/dbraw/zinc/13/51/01/180135101.db2.gz MDNLVGDMVDKFPG-HNNXBMFYSA-N 1 0 275.396 2.137 10 0 CEAERO Cc1nc(C[C@](C[NH3+])(c2ccccc2)[C@H](C)O)cs1 ZINC000091327771 180135804 /nfs/dbraw/zinc/13/58/04/180135804.db2.gz QKWOTDCOFSZIHE-XHDPSFHLSA-N 1 0 276.405 2.272 10 0 CEAERO CCCCn1ncc(C[NH2+]CCOC)c1CCC ZINC000091337677 180136324 /nfs/dbraw/zinc/13/63/24/180136324.db2.gz PBMHLYCMNGAWLW-UHFFFAOYSA-N 1 0 253.390 2.372 10 0 CEAERO FC(F)c1c(C[NH2+]C2CC2)cnn1-c1ccccn1 ZINC000091335630 180136370 /nfs/dbraw/zinc/13/63/70/180136370.db2.gz OTUGFXIYOSEWAF-UHFFFAOYSA-N 1 0 264.279 2.457 10 0 CEAERO C[C@@H]([NH2+][C@@H](C)C(C)(C)C)c1ccc(S(N)(=O)=O)cc1 ZINC000091337663 180136560 /nfs/dbraw/zinc/13/65/60/180136560.db2.gz FBVHYTSENONKON-MNOVXSKESA-N 1 0 284.425 2.419 10 0 CEAERO Cc1ccc2nnc([C@@H]3CC[C@H]4CCCC[C@@H]4[NH2+]3)n2n1 ZINC000091355289 180139176 /nfs/dbraw/zinc/13/91/76/180139176.db2.gz QMDRJCADWMAFQQ-AGIUHOORSA-N 1 0 271.368 2.416 10 0 CEAERO CSC[C@H](C)CNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091361415 180141737 /nfs/dbraw/zinc/14/17/37/180141737.db2.gz IRMSCGOFFVNRST-RFGFWPKPSA-N 1 0 284.469 2.413 10 0 CEAERO COCC[NH2+]Cc1ccccc1SC[C@H](C)CO ZINC000091259767 180115777 /nfs/dbraw/zinc/11/57/77/180115777.db2.gz HEXBDWGFQMEDBT-GFCCVEGCSA-N 1 0 269.410 2.143 10 0 CEAERO CC[C@H]([NH3+])[C@@H](S[C@@H](C)CCO)c1ccncc1 ZINC000091262251 180116481 /nfs/dbraw/zinc/11/64/81/180116481.db2.gz KKCHNZWDEWWYJV-DRZSPHRISA-N 1 0 254.399 2.364 10 0 CEAERO COc1ccc([C@H]([NH3+])CS[C@@H](C)CCO)cc1 ZINC000091269323 180117236 /nfs/dbraw/zinc/11/72/36/180117236.db2.gz BPMHIBYDVIFUSQ-GXFFZTMASA-N 1 0 255.383 2.199 10 0 CEAERO C[NH2+]C[C@@H]1CCCCN1Cc1cncn1C(C)C ZINC000091272987 180118235 /nfs/dbraw/zinc/11/82/35/180118235.db2.gz XZAJQZVDMBWNTG-ZDUSSCGKSA-N 1 0 250.390 2.038 10 0 CEAERO CC(C)(C)N1C(=O)CC[C@H]([NH3+])[C@H]1c1cncn1C1CC1 ZINC000091275545 180118525 /nfs/dbraw/zinc/11/85/25/180118525.db2.gz VTRFWJPVOIIDSM-FZMZJTMJSA-N 1 0 276.384 2.007 10 0 CEAERO CC[NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cncn1C1CC1 ZINC000091275397 180118748 /nfs/dbraw/zinc/11/87/48/180118748.db2.gz CIRGXZVVJWHOHX-WFASDCNBSA-N 1 0 262.401 2.210 10 0 CEAERO [NH3+]C[C@H]1CCCN(C2CC2)[C@@H]1c1cncn1C1CC1 ZINC000091275392 180119023 /nfs/dbraw/zinc/11/90/23/180119023.db2.gz DQEJMWQMGAOISC-ABAIWWIYSA-N 1 0 260.385 2.092 10 0 CEAERO C[C@@H]1C[C@@H](C)CN([C@@H](C[NH3+])c2cncn2C2CC2)C1 ZINC000091276177 180119027 /nfs/dbraw/zinc/11/90/27/180119027.db2.gz DUBNAFMBSHIGJP-BZPMIXESSA-N 1 0 262.401 2.196 10 0 CEAERO C[C@@H]1CC[C@H](C)N([C@@H](C[NH3+])c2cncn2C2CC2)C1 ZINC000091276678 180119562 /nfs/dbraw/zinc/11/95/62/180119562.db2.gz NBYDAZBTMHNWER-DYEKYZERSA-N 1 0 262.401 2.338 10 0 CEAERO CC[C@H](C)CN(C)[C@@H](C[NH3+])c1cncn1C1CC1 ZINC000091276240 180119777 /nfs/dbraw/zinc/11/97/77/180119777.db2.gz QKZVQODYIMYQGN-AAEUAGOBSA-N 1 0 250.390 2.196 10 0 CEAERO O[C@@H](c1cncn1C1CC1)[C@H]1[NH2+]CCc2ccccc21 ZINC000091277386 180119936 /nfs/dbraw/zinc/11/99/36/180119936.db2.gz QCUBQQYUUYPSST-HOTGVXAUSA-N 1 0 269.348 2.138 10 0 CEAERO CCC(CC)N(CCOC)[C@@H](C[NH3+])c1cncn1C1CC1 ZINC000091276435 180120392 /nfs/dbraw/zinc/12/03/92/180120392.db2.gz MLAZXQZHSLJGQA-HNNXBMFYSA-N 1 0 294.443 2.355 10 0 CEAERO Cn1cncc1COc1ccc(C[NH3+])cc1Cl ZINC000091278387 180121124 /nfs/dbraw/zinc/12/11/24/180121124.db2.gz HGFCBAUILGOCKF-UHFFFAOYSA-N 1 0 251.717 2.111 10 0 CEAERO Cc1cccc(NCCN2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000091427978 180152818 /nfs/dbraw/zinc/15/28/18/180152818.db2.gz UGLLSQHCZHEDDL-MRXNPFEDSA-N 1 0 261.413 2.433 10 0 CEAERO Cc1ccc(NCCN2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091430878 180153429 /nfs/dbraw/zinc/15/34/29/180153429.db2.gz XVLVNOFXSLLASM-INIZCTEOSA-N 1 0 261.413 2.433 10 0 CEAERO OC1CC([NH2+][C@H]2CCOc3ccc(Br)cc32)C1 ZINC000091431620 180153632 /nfs/dbraw/zinc/15/36/32/180153632.db2.gz SPLMGJBUOAQDBB-CBINBANVSA-N 1 0 298.180 2.386 10 0 CEAERO O=C(c1ccncc1Cl)N1CC[NH2+]CC12CCCCC2 ZINC000091457101 180160304 /nfs/dbraw/zinc/16/03/04/180160304.db2.gz BZSDAJZFAMJDMH-UHFFFAOYSA-N 1 0 293.798 2.483 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N(C)CC1CC(O)C1 ZINC000091461007 180161486 /nfs/dbraw/zinc/16/14/86/180161486.db2.gz JDPKNEFDXHGJDJ-WXUJTKTDSA-N 1 0 282.815 2.431 10 0 CEAERO Clc1cnccc1-c1nc(C[C@@H]2CCC[NH2+]C2)no1 ZINC000091464117 180162107 /nfs/dbraw/zinc/16/21/07/180162107.db2.gz CNDGFDQNFYRUGJ-VIFPVBQESA-N 1 0 278.743 2.327 10 0 CEAERO CCn1nc(C)c(Cl)c1COC1CC(C[NH3+])C1 ZINC000091464482 180163366 /nfs/dbraw/zinc/16/33/66/180163366.db2.gz KIVGSKRDCZHAFV-UHFFFAOYSA-N 1 0 257.765 2.119 10 0 CEAERO Clc1cnccc1-c1nnc(CC[NH2+]C2CC2)o1 ZINC000091465273 180163489 /nfs/dbraw/zinc/16/34/89/180163489.db2.gz WTEDSOHUDKRPOG-UHFFFAOYSA-N 1 0 264.716 2.080 10 0 CEAERO CCC[NH2+]CCc1nnc(-c2ccncc2Cl)o1 ZINC000091465269 180163767 /nfs/dbraw/zinc/16/37/67/180163767.db2.gz HKOKEJHFPCLVMD-UHFFFAOYSA-N 1 0 266.732 2.327 10 0 CEAERO CCC[NH2+]CC[C@](C)(O)Cc1c(Cl)c(CC)nn1C ZINC000091465385 180163842 /nfs/dbraw/zinc/16/38/42/180163842.db2.gz UWBSZJIDWKYNJJ-AWEZNQCLSA-N 1 0 287.835 2.319 10 0 CEAERO CC[NH2+]C[C@H](O)Cc1ccc(OC(F)(F)F)cc1 ZINC000091470520 180164753 /nfs/dbraw/zinc/16/47/53/180164753.db2.gz JCYAUZZLZLUGJG-SNVBAGLBSA-N 1 0 263.259 2.098 10 0 CEAERO CCc1cc(C[C@](C)(O)CC[NH2+]C(C)C)n(CC)n1 ZINC000091468123 180164800 /nfs/dbraw/zinc/16/48/00/180164800.db2.gz LQCTVKGXPBTDNU-OAHLLOKOSA-N 1 0 267.417 2.147 10 0 CEAERO CC[NH2+]CC[C@@](C)(O)Cc1ccn(C2CCCC2)n1 ZINC000091470348 180165039 /nfs/dbraw/zinc/16/50/39/180165039.db2.gz UBYOFKWLNVOVGE-OAHLLOKOSA-N 1 0 265.401 2.291 10 0 CEAERO Cc1ccccc1CCC(=O)N(C)CC1CC([NH3+])C1 ZINC000091472688 180165560 /nfs/dbraw/zinc/16/55/60/180165560.db2.gz YMUDDFCFTPOZLQ-UHFFFAOYSA-N 1 0 260.381 2.123 10 0 CEAERO C[N@H+](CCSc1ccccc1)CC1CC(O)C1 ZINC000091489886 180168942 /nfs/dbraw/zinc/16/89/42/180168942.db2.gz SUPJNICQRIYLTC-UHFFFAOYSA-N 1 0 251.395 2.481 10 0 CEAERO C[C@H]1CCC[C@H](C[NH3+])N1C(=O)C1C(C)(C)C1(C)C ZINC000091492755 180170617 /nfs/dbraw/zinc/17/06/17/180170617.db2.gz ZBMJBUPZNAPYRH-WDEREUQCSA-N 1 0 252.402 2.397 10 0 CEAERO CN(C(=O)C1C(C)(C)C1(C)C)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000091492807 180170963 /nfs/dbraw/zinc/17/09/63/180170963.db2.gz PNVGENAHUUVWRC-GHMZBOCLSA-N 1 0 252.402 2.254 10 0 CEAERO CC1(C)C(C(=O)NC2(C[NH3+])CCCCC2)C1(C)C ZINC000091494713 180170995 /nfs/dbraw/zinc/17/09/95/180170995.db2.gz DWDHVJUBMMMMFB-UHFFFAOYSA-N 1 0 252.402 2.446 10 0 CEAERO c1ccc2c(c1)Cc1sc([C@H]3C[NH2+]CCO3)nc1-2 ZINC000091501002 180174518 /nfs/dbraw/zinc/17/45/18/180174518.db2.gz LXNUNKMNCVUODQ-LLVKDONJSA-N 1 0 258.346 2.375 10 0 CEAERO C[NH+](C)[C@H]1CCCN(Cc2ccc(Cl)c(N)c2)C1 ZINC000091394888 180146323 /nfs/dbraw/zinc/14/63/23/180146323.db2.gz QEHCBAAZOPFREU-LBPRGKRZSA-N 1 0 267.804 2.448 10 0 CEAERO CC(=O)C(C)(C)C[N@@H+]1CC[C@H](N2CCCCC2)C1 ZINC000091402098 180147387 /nfs/dbraw/zinc/14/73/87/180147387.db2.gz HVVWJEUNBGZSKK-AWEZNQCLSA-N 1 0 252.402 2.162 10 0 CEAERO O=C1N(Cc2ccc(Cl)s2)CCN1C1CC[NH2+]CC1 ZINC000091500808 180174829 /nfs/dbraw/zinc/17/48/29/180174829.db2.gz FXWBRHVEZUYWIX-UHFFFAOYSA-N 1 0 299.827 2.391 10 0 CEAERO CC[NH2+]Cc1cncc(N2CCc3ccccc3CC2)n1 ZINC000091421973 180151351 /nfs/dbraw/zinc/15/13/51/180151351.db2.gz YAUWWYCEBURSTC-UHFFFAOYSA-N 1 0 282.391 2.191 10 0 CEAERO CCn1cc([C@@H]([NH2+]C)C(C)(C)N2CCCCC2)cn1 ZINC000091564949 180193591 /nfs/dbraw/zinc/19/35/91/180193591.db2.gz NJCDJQZHJBYFGK-CQSZACIVSA-N 1 0 264.417 2.428 10 0 CEAERO CC(C)([C@@H]([NH3+])c1cnc2ccccc2c1)N1CCOCC1 ZINC000091566290 180193860 /nfs/dbraw/zinc/19/38/60/180193860.db2.gz ZHUZFMCRKVMKEN-INIZCTEOSA-N 1 0 285.391 2.345 10 0 CEAERO CCOc1ccccc1[C@@H]([NH3+])C(C)(C)N1CCOCC1 ZINC000091566360 180194115 /nfs/dbraw/zinc/19/41/15/180194115.db2.gz QAQVUSRLQHUIBL-OAHLLOKOSA-N 1 0 278.396 2.196 10 0 CEAERO CC[NH2+][C@@H](CC[C@@H]1CCCO1)C(C)(C)N1CCOCC1 ZINC000091566880 180194599 /nfs/dbraw/zinc/19/45/99/180194599.db2.gz RNQCSGQLDPUTTI-GJZGRUSLSA-N 1 0 284.444 2.035 10 0 CEAERO C[NH2+][C@@H](CCc1ccccc1)C(C)(C)N1CCOCC1 ZINC000091566743 180194671 /nfs/dbraw/zinc/19/46/71/180194671.db2.gz ZOMGGKAYSQPMAA-INIZCTEOSA-N 1 0 276.424 2.318 10 0 CEAERO CN[C@H](c1nccn1C)C(C)(C)[NH+]1CCCCCC1 ZINC000091568192 180195044 /nfs/dbraw/zinc/19/50/44/180195044.db2.gz CMKRSJGJCDVPRH-CYBMUJFWSA-N 1 0 264.417 2.335 10 0 CEAERO CCC[NH2+][C@@H](CC1CC1)C(C)(C)N1CCOCC1 ZINC000091567146 180195087 /nfs/dbraw/zinc/19/50/87/180195087.db2.gz FTRZFMCPOGCYJB-AWEZNQCLSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@](C)([C@@H](O)Cc1ccn(C(C)C)n1)[NH+](C)C ZINC000091569475 180195339 /nfs/dbraw/zinc/19/53/39/180195339.db2.gz GOBFWGBPWLXQJH-UONOGXRCSA-N 1 0 253.390 2.098 10 0 CEAERO CC[C@@](C)([C@@H](O)c1cc(OC)ccc1OC)[NH+](C)C ZINC000091569514 180195572 /nfs/dbraw/zinc/19/55/72/180195572.db2.gz IHRVHUGTKYQAFP-GJZGRUSLSA-N 1 0 267.369 2.468 10 0 CEAERO CCCn1ncnc1C[C@@H](O)[C@](C)(CC)[NH+](CC)CC ZINC000091572867 180196119 /nfs/dbraw/zinc/19/61/19/180196119.db2.gz JSSDRJDWFQCGFX-HIFRSBDPSA-N 1 0 282.432 2.102 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@H](O)Cc1cc(C)nn1C ZINC000091573044 180196549 /nfs/dbraw/zinc/19/65/49/180196549.db2.gz ZDFUWBRKUBEJSS-CABCVRRESA-N 1 0 267.417 2.142 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@H](NC)c1ccnn1C ZINC000091599626 180202005 /nfs/dbraw/zinc/20/20/05/180202005.db2.gz WCROXZHZBSPDPB-ZIAGYGMSSA-N 1 0 252.406 2.191 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@H](N)c1cccnc1N ZINC000091598897 180202725 /nfs/dbraw/zinc/20/27/25/180202725.db2.gz WRAXNDQPJGMQSC-TZMCWYRMSA-N 1 0 250.390 2.174 10 0 CEAERO CC[C@](C)([C@@H](NC)c1cccnc1N)[NH+]1CCCC1 ZINC000091607009 180204160 /nfs/dbraw/zinc/20/41/60/180204160.db2.gz XWFMDDJOLBNEIC-DZGCQCFKSA-N 1 0 262.401 2.189 10 0 CEAERO CC[NH2+][C@H](Cc1cccnc1N)[C@](C)(CC)N1CCCC1 ZINC000091607269 180204321 /nfs/dbraw/zinc/20/43/21/180204321.db2.gz QVGUEFWTRQKCMO-WBVHZDCISA-N 1 0 290.455 2.449 10 0 CEAERO CC[C@](C)([C@@H](N)C1CCOCC1)[NH+]1CCCCC1 ZINC000091608956 180205356 /nfs/dbraw/zinc/20/53/56/180205356.db2.gz BPRZZOZNOAWIOL-LSDHHAIUSA-N 1 0 254.418 2.395 10 0 CEAERO CC[C@](C)([C@H]([NH3+])Cc1ccccc1C)N1CCOCC1 ZINC000091611918 180206484 /nfs/dbraw/zinc/20/64/84/180206484.db2.gz RROKEBMGTYILPV-IAGOWNOFSA-N 1 0 276.424 2.366 10 0 CEAERO CC[C@@](C)([C@H](O)c1ccc(F)cc1)[NH+]1CCOCC1 ZINC000091611257 180206715 /nfs/dbraw/zinc/20/67/15/180206715.db2.gz GAHIACRWXUVCSV-CABCVRRESA-N 1 0 267.344 2.360 10 0 CEAERO CC[C@](C)([C@H](Cc1ccccc1F)[NH2+]C)N1CCOCC1 ZINC000091612216 180206947 /nfs/dbraw/zinc/20/69/47/180206947.db2.gz OSJZIAVVEWZUKC-DLBZAZTESA-N 1 0 294.414 2.457 10 0 CEAERO CC[C@@](C)([C@@H]([NH2+]C)c1ccccc1OC)N1CCOCC1 ZINC000091612279 180206958 /nfs/dbraw/zinc/20/69/58/180206958.db2.gz WKAWYGVVLNVOPA-IRXDYDNUSA-N 1 0 292.423 2.457 10 0 CEAERO CC[NH2+][C@H](CC[C@@H]1CCCO1)[C@@](C)(CC)N1CCOCC1 ZINC000091612846 180207016 /nfs/dbraw/zinc/20/70/16/180207016.db2.gz OZUXLFVOCFEJEQ-GVDBMIGSSA-N 1 0 298.471 2.425 10 0 CEAERO CCCn1nccc1[C@H]([NH2+]C)[C@](C)(CC)N1CCOCC1 ZINC000091612395 180207263 /nfs/dbraw/zinc/20/72/63/180207263.db2.gz OQRPACDJBHBCGQ-HOTGVXAUSA-N 1 0 294.443 2.055 10 0 CEAERO CCn1nc(C)cc1C[C@@H]([NH2+]C)C(CC)(CC)N(C)C ZINC000091614450 180207679 /nfs/dbraw/zinc/20/76/79/180207679.db2.gz XFDZMTDMEBQEKP-OAHLLOKOSA-N 1 0 280.460 2.462 10 0 CEAERO CC[NH2+][C@H](Cc1ccnc(N)c1)C(CC)(CC)N(C)C ZINC000091614654 180207880 /nfs/dbraw/zinc/20/78/80/180207880.db2.gz RFAGDUZQXXQJDF-CQSZACIVSA-N 1 0 278.444 2.305 10 0 CEAERO CCn1nc(C)cc1C[C@H](N)C(CC)(CC)[NH+](C)C ZINC000091614058 180207978 /nfs/dbraw/zinc/20/79/78/180207978.db2.gz ZKTJCWCEKHMPTI-AWEZNQCLSA-N 1 0 266.433 2.202 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1cc(C)cc(F)c1 ZINC000091513901 180176836 /nfs/dbraw/zinc/17/68/36/180176836.db2.gz XAALQTVIHPBAMF-UONOGXRCSA-N 1 0 280.343 2.087 10 0 CEAERO CCc1ccc(C[C@](C)(O)CC[NH2+]CCOC)cc1 ZINC000091520268 180178363 /nfs/dbraw/zinc/17/83/63/180178363.db2.gz NANUJKMLTGSCMJ-MRXNPFEDSA-N 1 0 265.397 2.169 10 0 CEAERO COc1ccc([C@H](O)C(C)(C)[NH+](C)C)cc1OC ZINC000091528188 180179620 /nfs/dbraw/zinc/17/96/20/180179620.db2.gz DIIVMDWBRNDIHL-ZDUSSCGKSA-N 1 0 253.342 2.077 10 0 CEAERO CCc1nn(C)c(C[C@H]([NH2+]C)C(C)(C)N(C)C)c1Cl ZINC000091528646 180180224 /nfs/dbraw/zinc/18/02/24/180180224.db2.gz AXHGPYMKWYHGQO-LBPRGKRZSA-N 1 0 286.851 2.107 10 0 CEAERO CCC[NH2+][C@@H](c1cc(C)cnc1N)C(C)(C)N(C)C ZINC000091529350 180180230 /nfs/dbraw/zinc/18/02/30/180180230.db2.gz FZEFMYMHGDRWDK-ZDUSSCGKSA-N 1 0 264.417 2.353 10 0 CEAERO CCC[NH2+][C@@H](Cc1cnn(CC)c1)C(C)(C)N(C)C ZINC000091529398 180180354 /nfs/dbraw/zinc/18/03/54/180180354.db2.gz AOJHCSWKAWSBQR-AWEZNQCLSA-N 1 0 266.433 2.154 10 0 CEAERO CCc1cc(C[C@@H](N)C(C)(C)[NH+](CC)CC)n(CC)n1 ZINC000091530461 180180467 /nfs/dbraw/zinc/18/04/67/180180467.db2.gz OHJAFXKXRYXNRE-OAHLLOKOSA-N 1 0 280.460 2.456 10 0 CEAERO CCn1nc(C[C@H](N)C(C)(C)[NH+](C)C)c2ccccc21 ZINC000091528509 180180688 /nfs/dbraw/zinc/18/06/88/180180688.db2.gz AYNIRRVGEGGPDX-HNNXBMFYSA-N 1 0 274.412 2.266 10 0 CEAERO CCC[NH2+][C@H](c1ccnn1CC)C(C)(C)N(C)C ZINC000091529319 180180840 /nfs/dbraw/zinc/18/08/40/180180840.db2.gz GOFSZHIUYZGYRI-CYBMUJFWSA-N 1 0 252.406 2.284 10 0 CEAERO CC[NH2+][C@@H](Cc1ccncc1)C(C)(C)N1CCCC1 ZINC000091535863 180181971 /nfs/dbraw/zinc/18/19/71/180181971.db2.gz XGHBMFRMWSHYSH-HNNXBMFYSA-N 1 0 261.413 2.477 10 0 CEAERO CC(C)c1csc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)n1 ZINC000091544266 180185766 /nfs/dbraw/zinc/18/57/66/180185766.db2.gz FOEUXBPFUXTLNN-DTWKUNHWSA-N 1 0 253.371 2.332 10 0 CEAERO CC(C)C(=O)Nc1ccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)cc1 ZINC000091546181 180186883 /nfs/dbraw/zinc/18/68/83/180186883.db2.gz BUQZEVAEKYDNQL-RYUDHWBXSA-N 1 0 289.379 2.347 10 0 CEAERO CCn1cc(C[C@@H](N)C2([NH+](CC)CC)CCCC2)cn1 ZINC000091639163 180212339 /nfs/dbraw/zinc/21/23/39/180212339.db2.gz UAXRZKIPNUEBES-OAHLLOKOSA-N 1 0 278.444 2.427 10 0 CEAERO Cn1cc([C@@H](N)C2([NH+]3CCCCC3)CCCC2)cn1 ZINC000091641956 180212881 /nfs/dbraw/zinc/21/28/81/180212881.db2.gz LFROKUBQJCBIJF-CQSZACIVSA-N 1 0 262.401 2.219 10 0 CEAERO Cc1cnc(N)c([C@H](O)C2([NH+]3CCCC3)CCCC2)c1 ZINC000091640371 180212930 /nfs/dbraw/zinc/21/29/30/180212930.db2.gz INTGRVWQQAHPLJ-AWEZNQCLSA-N 1 0 275.396 2.414 10 0 CEAERO Nc1ccncc1[C@H](N)C1([NH+]2CCCCC2)CCCC1 ZINC000091641891 180213571 /nfs/dbraw/zinc/21/35/71/180213571.db2.gz ZBVIGMWXIGBCFF-HNNXBMFYSA-N 1 0 274.412 2.462 10 0 CEAERO O[C@@H](c1ccccc1)C1([NH+]2CCOCC2)CCCC1 ZINC000091642553 180214092 /nfs/dbraw/zinc/21/40/92/180214092.db2.gz BMULJIUKOKPZDJ-HNNXBMFYSA-N 1 0 261.365 2.365 10 0 CEAERO O[C@H](Cc1cccc(F)c1)C1([NH+]2CCOCC2)CCCC1 ZINC000091642566 180214277 /nfs/dbraw/zinc/21/42/77/180214277.db2.gz RABMFNBFXDXQMY-MRXNPFEDSA-N 1 0 293.382 2.374 10 0 CEAERO CC1CCC([C@H](O)Cc2cccnc2N)([NH+](C)C)CC1 ZINC000091648585 180216173 /nfs/dbraw/zinc/21/61/73/180216173.db2.gz HXJWEYMALQWQCT-CXOJTPOUSA-N 1 0 277.412 2.078 10 0 CEAERO C[NH2+][C@H](Cc1cc(C)nn1C)C1(N(C)C)CCC(C)CC1 ZINC000091649204 180216198 /nfs/dbraw/zinc/21/61/98/180216198.db2.gz LFGYOUVEAKLISB-BLDCVEFLSA-N 1 0 292.471 2.370 10 0 CEAERO CCn1cc([C@H](N)C2([NH+](C)C)CCC(C)CC2)cn1 ZINC000091648951 180216423 /nfs/dbraw/zinc/21/64/23/180216423.db2.gz FZGZPCVHPVUAFO-BLZCZZARSA-N 1 0 264.417 2.413 10 0 CEAERO CCCn1ncnc1C[C@@H](N)C1([NH+](C)C)CCCCCC1 ZINC000091654307 180217036 /nfs/dbraw/zinc/21/70/36/180217036.db2.gz JBXPVZLTRQBEDL-CQSZACIVSA-N 1 0 293.459 2.213 10 0 CEAERO C[NH+](C)C1([C@H](N)c2cnccc2N)CCCCCC1 ZINC000091654145 180217381 /nfs/dbraw/zinc/21/73/81/180217381.db2.gz DVJZGSKOFPLWRT-CQSZACIVSA-N 1 0 262.401 2.318 10 0 CEAERO C[NH2+][C@H](Cc1cnn(C)c1)[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC000091652633 180217447 /nfs/dbraw/zinc/21/74/47/180217447.db2.gz USUUXMFZERFXBH-BMFZPTHFSA-N 1 0 278.444 2.061 10 0 CEAERO Fc1cnc(Cl)nc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000091655682 180217622 /nfs/dbraw/zinc/21/76/22/180217622.db2.gz TVLXRPJXXATPLH-SNVBAGLBSA-N 1 0 284.766 2.334 10 0 CEAERO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091662719 180220251 /nfs/dbraw/zinc/22/02/51/180220251.db2.gz ICRKVYGJQCTWMQ-FPCVCCKLSA-N 1 0 266.429 2.408 10 0 CEAERO CN1CCO[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000091666790 180222624 /nfs/dbraw/zinc/22/26/24/180222624.db2.gz PJRFBFWLIYTPHJ-JKSUJKDBSA-N 1 0 278.371 2.197 10 0 CEAERO CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CN(C)CCO2)CC1 ZINC000091667700 180223268 /nfs/dbraw/zinc/22/32/68/180223268.db2.gz KRADEAZULKTDEI-QLFBSQMISA-N 1 0 254.418 2.266 10 0 CEAERO CC[NH+](CC)CCC(=O)c1cc(Cl)cnc1N ZINC000091688103 180226551 /nfs/dbraw/zinc/22/65/51/180226551.db2.gz IIUYCFKFHQHAIH-UHFFFAOYSA-N 1 0 255.749 2.232 10 0 CEAERO O=C(Cc1cccc(Cl)c1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091714128 180231711 /nfs/dbraw/zinc/23/17/11/180231711.db2.gz KIQRTIRFQIEJHN-UKRRQHHQSA-N 1 0 279.767 2.315 10 0 CEAERO CCCc1ccc([C@@H]([NH2+]C)[C@@H]2CN(C)CCO2)cc1 ZINC000091717703 180232491 /nfs/dbraw/zinc/23/24/91/180232491.db2.gz ADINMKVAKXVBOM-JKSUJKDBSA-N 1 0 262.397 2.230 10 0 CEAERO CC[NH+](CC)CC[C@@H](NC)c1ccc2c(c1)OCCO2 ZINC000091716143 180232684 /nfs/dbraw/zinc/23/26/84/180232684.db2.gz VQDRPNHSRNMXDS-CQSZACIVSA-N 1 0 278.396 2.450 10 0 CEAERO CC[NH2+][C@@H](c1ccc(F)c(F)c1F)[C@@H]1CN(C)CCO1 ZINC000091718734 180233284 /nfs/dbraw/zinc/23/32/84/180233284.db2.gz MJXSFSZRHJUXHA-FZMZJTMJSA-N 1 0 288.313 2.085 10 0 CEAERO CC[NH2+][C@H](c1ccc(F)c(C)c1)[C@H]1CN(C)CCO1 ZINC000091718293 180233471 /nfs/dbraw/zinc/23/34/71/180233471.db2.gz SQUCSIIAUMCTJW-HUUCEWRRSA-N 1 0 266.360 2.115 10 0 CEAERO CC[NH2+][C@H](C1CCC(C)CC1)[C@@H]1CN(C)CCO1 ZINC000091718815 180233714 /nfs/dbraw/zinc/23/37/14/180233714.db2.gz FDZAEGIEQATPAM-PFSRBDOWSA-N 1 0 254.418 2.121 10 0 CEAERO CCC[NH2+][C@@H](CCc1ccccc1)[C@H]1CN(C)CCO1 ZINC000091719512 180234345 /nfs/dbraw/zinc/23/43/45/180234345.db2.gz IWRNLGIALNCHLX-DLBZAZTESA-N 1 0 276.424 2.318 10 0 CEAERO CCC[NH2+][C@@H](CCc1ccccc1)[C@@H]1CN(C)CCO1 ZINC000091719510 180234648 /nfs/dbraw/zinc/23/46/48/180234648.db2.gz IWRNLGIALNCHLX-IRXDYDNUSA-N 1 0 276.424 2.318 10 0 CEAERO CCCCCC[C@H]([NH2+]C)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091720885 180236538 /nfs/dbraw/zinc/23/65/38/180236538.db2.gz IJUJVAXUZAYWHK-ILXRZTDVSA-N 1 0 254.418 2.408 10 0 CEAERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1ccc2c(c1)CCCC2 ZINC000624235834 350239109 /nfs/dbraw/zinc/23/91/09/350239109.db2.gz QDEAGMYFTFKKIF-ZLIFDBKOSA-N 1 0 275.392 2.366 10 0 CEAERO C[NH2+][C@H](Cc1ccc(C)c(C)c1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721223 180237612 /nfs/dbraw/zinc/23/76/12/180237612.db2.gz MABHZANJDHUVTA-KZNAEPCWSA-N 1 0 288.435 2.297 10 0 CEAERO O[C@@H]1COCC[C@@H]1[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000624238046 350241134 /nfs/dbraw/zinc/24/11/34/350241134.db2.gz JCYWLAYOKAVQQV-RIXNLZLZSA-N 1 0 281.783 2.325 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1ccc(Cl)c(F)c1 ZINC000624238165 350241183 /nfs/dbraw/zinc/24/11/83/350241183.db2.gz LRZWZZDWZCSGOO-CKLFPEKLSA-N 1 0 273.735 2.280 10 0 CEAERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1ccc(Cl)c(F)c1 ZINC000624238166 350241321 /nfs/dbraw/zinc/24/13/21/350241321.db2.gz LRZWZZDWZCSGOO-HJIKLVIJSA-N 1 0 273.735 2.280 10 0 CEAERO C[NH2+][C@H](c1cc(C)ccc1C)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721297 180238622 /nfs/dbraw/zinc/23/86/22/180238622.db2.gz SRGDNMSPRJLSRQ-HYVNUMGLSA-N 1 0 274.408 2.427 10 0 CEAERO CC[NH2+][C@@H]1CC(C)(C)Cc2nc(CN(C)C)ncc21 ZINC000091722680 180239700 /nfs/dbraw/zinc/23/97/00/180239700.db2.gz CFTYQNTVKBSSOM-GFCCVEGCSA-N 1 0 262.401 2.161 10 0 CEAERO CCc1ccc([C@H]([NH3+])c2ccc3c(c2)CC(=O)N3C)o1 ZINC000091760123 180247376 /nfs/dbraw/zinc/24/73/76/180247376.db2.gz LIKKDEPENCQXGU-MRXNPFEDSA-N 1 0 270.332 2.409 10 0 CEAERO CCc1ccc(C(=O)N(CC)[C@@H]2CCC[C@@H]2C[NH3+])o1 ZINC000091762948 180248136 /nfs/dbraw/zinc/24/81/36/180248136.db2.gz RQNQOWZJOBMCGV-DGCLKSJQSA-N 1 0 264.369 2.432 10 0 CEAERO COC(=O)c1ccc([C@H](C)N(C)C2CC[NH+](C)CC2)o1 ZINC000091780222 180252510 /nfs/dbraw/zinc/25/25/10/180252510.db2.gz GRULNNODAMQKIF-NSHDSACASA-N 1 0 280.368 2.153 10 0 CEAERO COC(=O)c1ccc([C@H](C)[N@H+](C)C2CCOCC2)o1 ZINC000091780670 180252984 /nfs/dbraw/zinc/25/29/84/180252984.db2.gz IOKNXLWOSXZBSW-JTQLQIEISA-N 1 0 267.325 2.238 10 0 CEAERO CC(C)[NH2+]Cc1csc([C@H]2CN3CCC[C@@H]3CO2)n1 ZINC000091722567 180240871 /nfs/dbraw/zinc/24/08/71/180240871.db2.gz QDTMKMJMNKWZDD-CHWSQXEVSA-N 1 0 281.425 2.177 10 0 CEAERO C[C@@H]([NH3+])c1cccn1Cc1nn(C)c2ccccc12 ZINC000091800389 180259319 /nfs/dbraw/zinc/25/93/19/180259319.db2.gz UOQDTYGDTSPSEQ-LLVKDONJSA-N 1 0 254.337 2.443 10 0 CEAERO CCCN(c1cc(OC)nc(C)n1)C1CCC([NH3+])CC1 ZINC000091852802 180272873 /nfs/dbraw/zinc/27/28/73/180272873.db2.gz YIWKPQAKEBIIFB-UHFFFAOYSA-N 1 0 278.400 2.280 10 0 CEAERO CCn1ccnc1C[N@H+](C)C1CCC2(CC1)OCCO2 ZINC000091853665 180273655 /nfs/dbraw/zinc/27/36/55/180273655.db2.gz OCTROFMPYYSILG-UHFFFAOYSA-N 1 0 279.384 2.021 10 0 CEAERO CCC[NH2+][C@H](C)c1cccn1CC(=O)N[C@H](C)CC ZINC000091802479 180260155 /nfs/dbraw/zinc/26/01/55/180260155.db2.gz UESRINOSWOIKJN-CHWSQXEVSA-N 1 0 265.401 2.463 10 0 CEAERO CCC[NH2+][C@@H](C)c1cccn1CC(=O)NCC(F)(F)F ZINC000091802930 180260200 /nfs/dbraw/zinc/26/02/00/180260200.db2.gz YFAKLSFDMYKWDE-JTQLQIEISA-N 1 0 291.317 2.227 10 0 CEAERO CCC[NH2+][C@@H](C)c1cccn1Cc1nnc(C)n1C ZINC000091802974 180260291 /nfs/dbraw/zinc/26/02/91/180260291.db2.gz SQVQFBPYKNFECW-NSHDSACASA-N 1 0 261.373 2.034 10 0 CEAERO CC[C@H]([NH2+]C)c1ccn(CC(=O)N[C@H](C)C(C)C)c1 ZINC000091816739 180262762 /nfs/dbraw/zinc/26/27/62/180262762.db2.gz YUIIAYIUDDJJBJ-OCCSQVGLSA-N 1 0 265.401 2.319 10 0 CEAERO CC[C@@H](C)NC(=O)Cn1ccc([C@H](CC)[NH2+]C)c1 ZINC000091816613 180263170 /nfs/dbraw/zinc/26/31/70/180263170.db2.gz DVSFPDXHHPSWKD-YPMHNXCESA-N 1 0 251.374 2.073 10 0 CEAERO CCC[NH2+][C@H](CC)c1ccn(CCC(=O)N(C)C)c1 ZINC000091817708 180263418 /nfs/dbraw/zinc/26/34/18/180263418.db2.gz FUWKZGPFWWIWFM-CQSZACIVSA-N 1 0 265.401 2.417 10 0 CEAERO CCC[NH2+][C@@H](CC)c1ccn(CCC(=O)NC)c1 ZINC000091817805 180263454 /nfs/dbraw/zinc/26/34/54/180263454.db2.gz MHFRPPNMPAHRIO-ZDUSSCGKSA-N 1 0 251.374 2.075 10 0 CEAERO CCC[C@@H]([NH2+]CC)c1ccn(CC(=O)NCCCOC)c1 ZINC000091823119 180263839 /nfs/dbraw/zinc/26/38/39/180263839.db2.gz ZMBPAOXSFOWBRA-OAHLLOKOSA-N 1 0 295.427 2.092 10 0 CEAERO CCC[C@H]([NH2+]C)c1ccn(CCC(=O)NCC)c1 ZINC000091822128 180263886 /nfs/dbraw/zinc/26/38/86/180263886.db2.gz VTZBJJIPIZZPTN-ZDUSSCGKSA-N 1 0 251.374 2.075 10 0 CEAERO CCC[NH2+][C@H](c1ccn(CCC(N)=O)c1)C(C)C ZINC000091828372 180265825 /nfs/dbraw/zinc/26/58/25/180265825.db2.gz PRXPGGZJJWIQFC-AWEZNQCLSA-N 1 0 251.374 2.060 10 0 CEAERO CC[NH2+][C@@H](c1ccn(CCOCCOC)c1)C1CC1 ZINC000091838019 180267782 /nfs/dbraw/zinc/26/77/82/180267782.db2.gz FEMFZNGSFQUKNR-OAHLLOKOSA-N 1 0 266.385 2.212 10 0 CEAERO CCN(C(=O)C[C@H]1C=CCC1)C1CCC([NH3+])CC1 ZINC000091850359 180272222 /nfs/dbraw/zinc/27/22/22/180272222.db2.gz GINXHIPZAAUETK-HSBZDZAISA-N 1 0 250.386 2.461 10 0 CEAERO C[C@H]1CCC[C@](C[NH3+])(C2(O)CCC3(CC2)OCCO3)C1 ZINC000091924498 180287509 /nfs/dbraw/zinc/28/75/09/180287509.db2.gz VUVAYUZPTSRKEV-KBPBESRZSA-N 1 0 283.412 2.190 10 0 CEAERO CC(C)n1cncc1[C@H](O)C1(C[NH3+])CCCCC1 ZINC000091926462 180287706 /nfs/dbraw/zinc/28/77/06/180287706.db2.gz FKJNMHBXJQWVPU-ZDUSSCGKSA-N 1 0 251.374 2.407 10 0 CEAERO NC(=[NH2+])CCN(C(=O)N1CCCCC1)c1ccccc1 ZINC000091969844 180295104 /nfs/dbraw/zinc/29/51/04/180295104.db2.gz FPMMIYRLCLGCRS-UHFFFAOYSA-N 1 0 274.368 2.425 10 0 CEAERO Cc1cccc(O)c1C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000624634361 350326665 /nfs/dbraw/zinc/32/66/65/350326665.db2.gz RPQPFTGYPPYBFE-CYBMUJFWSA-N 1 0 278.396 2.407 10 0 CEAERO CCc1ccc(-c2ocnc2C[NH2+]CCOC)o1 ZINC000091959631 180292297 /nfs/dbraw/zinc/29/22/97/180292297.db2.gz PJQGSSVYVVOBFG-UHFFFAOYSA-N 1 0 250.298 2.233 10 0 CEAERO CCC1CCC(C[NH3+])(NC(=O)N(CC)CC)CC1 ZINC000091961556 180293049 /nfs/dbraw/zinc/29/30/49/180293049.db2.gz PBCGLNCZVOGHBS-UHFFFAOYSA-N 1 0 255.406 2.336 10 0 CEAERO CCN(CC)C(=O)N(C)[C@]1(C[NH3+])CCC[C@H](C)C1 ZINC000091961592 180293180 /nfs/dbraw/zinc/29/31/80/180293180.db2.gz POGVTFLLWKYAJQ-GXTWGEPZSA-N 1 0 255.406 2.288 10 0 CEAERO CC1CCC(C[NH3+])(N(C)C(=O)N2CCCCC2)CC1 ZINC000091969089 180294496 /nfs/dbraw/zinc/29/44/96/180294496.db2.gz RSPWSDHDVVSSJZ-UHFFFAOYSA-N 1 0 267.417 2.432 10 0 CEAERO [NH3+]Cc1cc(NC(=O)N2CCCCC2)ccc1F ZINC000091969062 180294628 /nfs/dbraw/zinc/29/46/28/180294628.db2.gz DCOUFQUVBYHMOS-UHFFFAOYSA-N 1 0 251.305 2.302 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)c2ccc3[nH]cnc3c2)CC1 ZINC000091872071 180278062 /nfs/dbraw/zinc/27/80/62/180278062.db2.gz KYMVQOKDLMRPJR-UHFFFAOYSA-N 1 0 286.379 2.166 10 0 CEAERO CCCc1nsc(N(C)C2CCC([NH2+]C)CC2)n1 ZINC000091873650 180278948 /nfs/dbraw/zinc/27/89/48/180278948.db2.gz XMECVDOPWAFKRN-UHFFFAOYSA-N 1 0 268.430 2.457 10 0 CEAERO [NH3+]CC1([C@@H](O)c2ccccc2OC(F)F)CCC1 ZINC000091909049 180284572 /nfs/dbraw/zinc/28/45/72/180284572.db2.gz FPGXOIBJIRWUDK-NSHDSACASA-N 1 0 257.280 2.450 10 0 CEAERO CC[C@](C)(C[NH3+])[C@@H](O)c1cc2c(c(Cl)c1)OCO2 ZINC000091909944 180284887 /nfs/dbraw/zinc/28/48/87/180284887.db2.gz DLWROURKVYHWEY-QWHCGFSZSA-N 1 0 271.744 2.477 10 0 CEAERO [NH3+]C[C@]1([C@H](O)c2ccoc2)CCc2ccccc2C1 ZINC000091912602 180285223 /nfs/dbraw/zinc/28/52/23/180285223.db2.gz NBMWBUDHRTUCMC-CVEARBPZSA-N 1 0 257.333 2.447 10 0 CEAERO [NH3+]C[C@]1([C@@H](O)c2cccnc2)CCc2ccccc2C1 ZINC000091910118 180285382 /nfs/dbraw/zinc/28/53/82/180285382.db2.gz SJUWYVMNMQZLLF-IRXDYDNUSA-N 1 0 268.360 2.249 10 0 CEAERO CC[C@@H]1C[C@](O)(C2(C[NH3+])CCC(C)CC2)CCO1 ZINC000091918636 180286488 /nfs/dbraw/zinc/28/64/88/180286488.db2.gz VMDAIICZIONACC-JYVUQVBGSA-N 1 0 255.402 2.462 10 0 CEAERO CC(C)[C@@H]1C[C@](O)(C2(C[NH3+])CCCCC2)CCO1 ZINC000091918816 180286591 /nfs/dbraw/zinc/28/65/91/180286591.db2.gz OOKGIGPUSVYAES-ZFWWWQNUSA-N 1 0 255.402 2.462 10 0 CEAERO C[C@@H]1CCC[C@H](CC[NH2+]C[C@@H]2CN(C)CCO2)C1 ZINC000092055967 180314642 /nfs/dbraw/zinc/31/46/42/180314642.db2.gz MGIBWDHRNBPEQS-RBSFLKMASA-N 1 0 254.418 2.123 10 0 CEAERO CCC[NH2+][C@H](C)c1csc(NC(=O)N2CCOCC2)n1 ZINC000091970170 180295256 /nfs/dbraw/zinc/29/52/56/180295256.db2.gz GUIVLYFHTBYVTE-SNVBAGLBSA-N 1 0 298.412 2.068 10 0 CEAERO O=C(N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)N1CCCCCC1 ZINC000091971570 180295566 /nfs/dbraw/zinc/29/55/66/180295566.db2.gz KIDDXIVNPXTQOS-CABCVRRESA-N 1 0 279.428 2.446 10 0 CEAERO O=C(N1CCC[C@H]([C@H]2CCC[NH2+]2)C1)N1CCCCCC1 ZINC000091971571 180295603 /nfs/dbraw/zinc/29/56/03/180295603.db2.gz KIDDXIVNPXTQOS-LSDHHAIUSA-N 1 0 279.428 2.446 10 0 CEAERO CCN(C)C(=O)N(CC)[C@@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000091972879 180296203 /nfs/dbraw/zinc/29/62/03/180296203.db2.gz MRNGVDYBWQKXDX-OCCSQVGLSA-N 1 0 255.406 2.288 10 0 CEAERO CCN(C(=O)N1CCC[C@@H](C)C1)C1CCC([NH3+])CC1 ZINC000091991692 180299888 /nfs/dbraw/zinc/29/98/88/180299888.db2.gz JEVLPNFTOLEMDZ-IYXRBSQSSA-N 1 0 267.417 2.430 10 0 CEAERO C[C@@H]1CCCN(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)C1 ZINC000091990724 180299938 /nfs/dbraw/zinc/29/99/38/180299938.db2.gz IOGOUBTZKPRIPA-ILXRZTDVSA-N 1 0 279.428 2.302 10 0 CEAERO C[C@@H]1CCCN(C(=O)N2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000091990817 180299969 /nfs/dbraw/zinc/29/99/69/180299969.db2.gz VSKNVACINPOAQK-HZSPNIEDSA-N 1 0 265.401 2.055 10 0 CEAERO CCCN(C(=O)N1CCC[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000091990695 180300081 /nfs/dbraw/zinc/30/00/81/180300081.db2.gz FOTGLDPUEVCYSY-CYBMUJFWSA-N 1 0 267.417 2.302 10 0 CEAERO C[C@H]1CCCN(C(=O)NCc2ccc(C(N)=[NH2+])cc2F)C1 ZINC000091993325 180300363 /nfs/dbraw/zinc/30/03/63/180300363.db2.gz LVJJUJLCMAEEMN-JTQLQIEISA-N 1 0 292.358 2.051 10 0 CEAERO CCC(C)(C)NC(=O)[C@@H](C)Oc1ccc(C)nc1C[NH2+]C ZINC000091994467 180301409 /nfs/dbraw/zinc/30/14/09/180301409.db2.gz AOITWEBUJYUDGT-GFCCVEGCSA-N 1 0 293.411 2.182 10 0 CEAERO CCNC(=O)CCOc1ccc(C)nc1C[NH2+]C(C)(C)C ZINC000091996263 180302077 /nfs/dbraw/zinc/30/20/77/180302077.db2.gz TYRNHDDBECCUHI-UHFFFAOYSA-N 1 0 293.411 2.183 10 0 CEAERO CC[C@H](O)COc1ccc(C)nc1C[NH2+]C(C)C ZINC000091995493 180302285 /nfs/dbraw/zinc/30/22/85/180302285.db2.gz XVEDPPRZUZKNHB-LBPRGKRZSA-N 1 0 252.358 2.038 10 0 CEAERO COc1ccc(COc2ccc(C)nc2CC[NH3+])cc1 ZINC000091999624 180303479 /nfs/dbraw/zinc/30/34/79/180303479.db2.gz ADVQAGUBIKXTOL-UHFFFAOYSA-N 1 0 272.348 2.479 10 0 CEAERO COc1ccc(C[NH2+]C[C@@H](C)N2CCCC2)cc1F ZINC000092021882 180307591 /nfs/dbraw/zinc/30/75/91/180307591.db2.gz ZBQDALHAKLWNLE-GFCCVEGCSA-N 1 0 266.360 2.408 10 0 CEAERO Cc1cc(NCCc2ccc3c(c2)OCCO3)[nH+]cc1N ZINC000092026505 180308297 /nfs/dbraw/zinc/30/82/97/180308297.db2.gz RDXAWYJGQLYWIQ-UHFFFAOYSA-N 1 0 285.347 2.398 10 0 CEAERO CNc1ccc(C)cc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092023897 180308612 /nfs/dbraw/zinc/30/86/12/180308612.db2.gz AKFDVWFDIDQULI-KGLIPLIRSA-N 1 0 287.407 2.345 10 0 CEAERO C[C@@H](O)CCC(=O)Nc1ccccc1C[NH+]1CCCC1 ZINC000092152909 180335266 /nfs/dbraw/zinc/33/52/66/180335266.db2.gz RACHOUSYMNMCOJ-CYBMUJFWSA-N 1 0 276.380 2.382 10 0 CEAERO CC[C@@](C)(CO)[NH2+]Cc1cnc(C)n1-c1ccccc1 ZINC000092129125 180329742 /nfs/dbraw/zinc/32/97/42/180329742.db2.gz ZACPPJNZGYSQIU-INIZCTEOSA-N 1 0 273.380 2.431 10 0 CEAERO C[NH2+][C@@H](Cc1ncc(C)c(OC)c1C)C(C)(C)OC ZINC000092138881 180333529 /nfs/dbraw/zinc/33/35/29/180333529.db2.gz LGXGYBYGHFQXDB-ZDUSSCGKSA-N 1 0 266.385 2.263 10 0 CEAERO COC(C)(C)[C@@H]([NH3+])Cc1ccn(C2CCCC2)n1 ZINC000092138627 180333557 /nfs/dbraw/zinc/33/35/57/180333557.db2.gz DARIZMZBSOQRJZ-ZDUSSCGKSA-N 1 0 251.374 2.293 10 0 CEAERO CC[NH2+][C@@H](Cc1cc(C)nn1CC)C(C)(C)OC ZINC000092139555 180333682 /nfs/dbraw/zinc/33/36/82/180333682.db2.gz GMNOLJWLALSYBZ-ZDUSSCGKSA-N 1 0 253.390 2.157 10 0 CEAERO COc1c(C)cnc(C[C@H]([NH3+])C(C)(C)OC)c1C ZINC000092138634 180333734 /nfs/dbraw/zinc/33/37/34/180333734.db2.gz ICOAOEXERBSONU-LBPRGKRZSA-N 1 0 252.358 2.002 10 0 CEAERO CCC[NH2+][C@@H](Cc1cc(C)nn1C)C(C)(C)OC ZINC000092140307 180333760 /nfs/dbraw/zinc/33/37/60/180333760.db2.gz BJEKEHMHXGFJHD-ZDUSSCGKSA-N 1 0 253.390 2.064 10 0 CEAERO CC[NH2+][C@@H](C)[C@@H](CC)c1nc(C(C)(C)OC)no1 ZINC000092141464 180334285 /nfs/dbraw/zinc/33/42/85/180334285.db2.gz NMGHLZLOSIQPLN-VHSXEESVSA-N 1 0 255.362 2.443 10 0 CEAERO C[C@@H]([NH3+])c1cccc(SC[C@H]2CN(C)CCO2)c1 ZINC000092080088 180318365 /nfs/dbraw/zinc/31/83/65/180318365.db2.gz VIYDFLDUBJJZJF-DGCLKSJQSA-N 1 0 266.410 2.129 10 0 CEAERO Cc1c(N)cccc1NC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000092080723 180318737 /nfs/dbraw/zinc/31/87/37/180318737.db2.gz GLUSFGJNFSTTEB-LOWVWBTDSA-N 1 0 275.396 2.492 10 0 CEAERO C[C@H]1C[N@@H+]([C@]2(CN)CCc3ccccc3C2)C[C@H]1C ZINC000092082595 180319668 /nfs/dbraw/zinc/31/96/68/180319668.db2.gz MCUXPXLROSKPSB-JKIFEVAISA-N 1 0 258.409 2.461 10 0 CEAERO Cc1nn(C)c(N2C[C@H](C)[C@H](C)C2)c1C[NH2+]C(C)C ZINC000092086460 180320662 /nfs/dbraw/zinc/32/06/62/180320662.db2.gz RKZGDPSRNLTYFJ-TXEJJXNPSA-N 1 0 264.417 2.319 10 0 CEAERO CCCN[C@@](CO)(C[N@@H+]1C[C@H](C)[C@H](C)C1)c1ccccc1 ZINC000092090254 180322227 /nfs/dbraw/zinc/32/22/27/180322227.db2.gz SESGRMMFRUOUQF-SOLBZPMBSA-N 1 0 290.451 2.462 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2ccc(OC(F)F)cc2)C1 ZINC000092201875 180342708 /nfs/dbraw/zinc/34/27/08/180342708.db2.gz NLHUOANNAHEINS-RKDXNWHRSA-N 1 0 268.263 2.130 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)Nc2ccccc2OC(F)(F)F)C1 ZINC000092201385 180342710 /nfs/dbraw/zinc/34/27/10/180342710.db2.gz GHYXXRRTFYQFQX-IUCAKERBSA-N 1 0 286.253 2.427 10 0 CEAERO CCN(Cc1ccccc1C)C(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092202078 180342778 /nfs/dbraw/zinc/34/27/78/180342778.db2.gz JGBQPTJAEKBGEY-DZGCQCFKSA-N 1 0 258.365 2.247 10 0 CEAERO Cc1ccc(NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)c(Cl)c1 ZINC000092201815 180342789 /nfs/dbraw/zinc/34/27/89/180342789.db2.gz YVDWLNRIFAXBNM-NXEZZACHSA-N 1 0 250.729 2.490 10 0 CEAERO CCC(=O)Nc1ccc(C)c(NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)c1 ZINC000092202515 180342828 /nfs/dbraw/zinc/34/28/28/180342828.db2.gz ZDDMRNVQUMEDOM-VXGBXAGGSA-N 1 0 287.363 2.185 10 0 CEAERO CC(C)Oc1ccc(NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)cc1 ZINC000092201827 180342884 /nfs/dbraw/zinc/34/28/84/180342884.db2.gz VZWCBWGGERGXEX-VXGBXAGGSA-N 1 0 260.337 2.316 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000092201368 180343068 /nfs/dbraw/zinc/34/30/68/180343068.db2.gz XUXBMZNCQKQKKZ-IUCAKERBSA-N 1 0 286.253 2.427 10 0 CEAERO Cc1nc2ccc(NC(=O)[C@H]3C=C[C@@H]([NH3+])C3)cc2s1 ZINC000092202668 180343300 /nfs/dbraw/zinc/34/33/00/180343300.db2.gz UTOSAXSFHLVRTG-VHSXEESVSA-N 1 0 273.361 2.447 10 0 CEAERO Cc1nc(-c2ccc(NC(=O)[C@@H]3C=C[C@H]([NH3+])C3)cc2)co1 ZINC000092203088 180343485 /nfs/dbraw/zinc/34/34/85/180343485.db2.gz VZOZBZVKABWAOX-OLZOCXBDSA-N 1 0 283.331 2.492 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)N(Cc2ccco2)C2CCCC2)C1 ZINC000092204931 180344092 /nfs/dbraw/zinc/34/40/92/180344092.db2.gz YSYBLWDYPSDBCA-STQMWFEESA-N 1 0 274.364 2.454 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)N2CCCCc3ccccc32)C1 ZINC000092208447 180344834 /nfs/dbraw/zinc/34/48/34/180344834.db2.gz QRRAPHFKBSCXJB-UONOGXRCSA-N 1 0 256.349 2.259 10 0 CEAERO CSc1ccc(C(=O)N(C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000092232127 180348803 /nfs/dbraw/zinc/34/88/03/180348803.db2.gz BNEXMUCVMJSSSG-GFCCVEGCSA-N 1 0 264.394 2.233 10 0 CEAERO CCC[C@H](C[NH3+])NC(=O)[C@H]1CSc2ccccc21 ZINC000092239653 180350786 /nfs/dbraw/zinc/35/07/86/180350786.db2.gz NSZYXWBDOHDLGR-PWSUYJOCSA-N 1 0 264.394 2.120 10 0 CEAERO CN(C(=O)[C@@H]1CSc2ccccc21)[C@H]1CCC[C@H]1C[NH3+] ZINC000092239721 180351283 /nfs/dbraw/zinc/35/12/83/180351283.db2.gz AIXWAUXXGOBNAZ-YUTCNCBUSA-N 1 0 290.432 2.462 10 0 CEAERO COCCN(CCSc1ccccc1)CCC(N)=[NH2+] ZINC000092262354 180354900 /nfs/dbraw/zinc/35/49/00/180354900.db2.gz DHRMQTFPRBSMHK-UHFFFAOYSA-N 1 0 281.425 2.053 10 0 CEAERO CC(C)[NH2+]Cc1ncnn1C[C@H]1Cc2ccccc2S1 ZINC000092271270 180355973 /nfs/dbraw/zinc/35/59/73/180355973.db2.gz JURCNAIKRQNRDJ-CYBMUJFWSA-N 1 0 288.420 2.493 10 0 CEAERO C[C@@H](C[NH2+]C[C@H]1CSc2ccccc21)N(C)C ZINC000092275332 180356190 /nfs/dbraw/zinc/35/61/90/180356190.db2.gz BUPLYWQZARQNCX-RYUDHWBXSA-N 1 0 250.411 2.416 10 0 CEAERO C[C@@H]1CC[NH2+]CCN1CCSc1ccccc1 ZINC000092273140 180356350 /nfs/dbraw/zinc/35/63/50/180356350.db2.gz WSHJRYOQDNYGNB-CYBMUJFWSA-N 1 0 250.411 2.463 10 0 CEAERO C[C@H]([NH3+])Cc1nccn1C[C@H]1Cc2ccccc2S1 ZINC000092271377 180356624 /nfs/dbraw/zinc/35/66/24/180356624.db2.gz WPERWTDVMGLRLE-WCQYABFASA-N 1 0 273.405 2.490 10 0 CEAERO CC(C)[NH2+]Cc1cn(C[C@@H]2Cc3ccccc3S2)nn1 ZINC000092274216 180356719 /nfs/dbraw/zinc/35/67/19/180356719.db2.gz TWAFQCHBFJTDPC-AWEZNQCLSA-N 1 0 288.420 2.493 10 0 CEAERO Cn1c(C[NH3+])nnc1SC[C@H]1CSc2ccccc21 ZINC000092288376 180357587 /nfs/dbraw/zinc/35/75/87/180357587.db2.gz JFWFVYMPACENEM-SECBINFHSA-N 1 0 292.433 2.255 10 0 CEAERO C[C@H](CN1CCCC1)[NH2+]C[C@@H]1COc2ccccc21 ZINC000092300081 180358551 /nfs/dbraw/zinc/35/85/51/180358551.db2.gz BRTLVWNQDACFBJ-ZIAGYGMSSA-N 1 0 260.381 2.237 10 0 CEAERO NC(=S)CC[N@H+](C[C@@H]1COc2ccccc21)C1CC1 ZINC000092301762 180359570 /nfs/dbraw/zinc/35/95/70/180359570.db2.gz NWUGFGLOXXYZAO-LLVKDONJSA-N 1 0 276.405 2.303 10 0 CEAERO NC(=S)CC[N@H+](C[C@H]1COc2ccccc21)C1CC1 ZINC000092301764 180359638 /nfs/dbraw/zinc/35/96/38/180359638.db2.gz NWUGFGLOXXYZAO-NSHDSACASA-N 1 0 276.405 2.303 10 0 CEAERO C[C@H](C[N@H+](C)C[C@@H]1COc2ccccc21)C(N)=S ZINC000092301758 180359675 /nfs/dbraw/zinc/35/96/75/180359675.db2.gz VJLZIRCQBZMEQE-GHMZBOCLSA-N 1 0 264.394 2.017 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)OCc2ccc(Cl)cc2)C1 ZINC000092177601 180337077 /nfs/dbraw/zinc/33/70/77/180337077.db2.gz ARSGMKFRTJPAQC-ZYHUDNBSSA-N 1 0 251.713 2.287 10 0 CEAERO CC(C)(C)SCc1noc([C@@H]2C=C[C@H]([NH3+])C2)n1 ZINC000092181987 180338728 /nfs/dbraw/zinc/33/87/28/180338728.db2.gz JJCCFFCXYYFZEU-BDAKNGLRSA-N 1 0 253.371 2.472 10 0 CEAERO [NH3+][C@H]1C=C[C@H](c2nc(Cc3cc(F)cc(F)c3)no2)C1 ZINC000092181559 180338776 /nfs/dbraw/zinc/33/87/76/180338776.db2.gz MBFSJPDSPYPIFB-CABZTGNLSA-N 1 0 277.274 2.309 10 0 CEAERO COc1ccccc1Cc1noc([C@@H]2C=C[C@@H]([NH3+])C2)n1 ZINC000092181526 180338972 /nfs/dbraw/zinc/33/89/72/180338972.db2.gz XFHLEGCTCDDBKV-VXGBXAGGSA-N 1 0 271.320 2.040 10 0 CEAERO CCC[C@H]1CN(C[C@@H]2COc3ccccc32)CC[NH2+]1 ZINC000092307220 180359934 /nfs/dbraw/zinc/35/99/34/180359934.db2.gz BPYBUNCXXIQOQL-KGLIPLIRSA-N 1 0 260.381 2.237 10 0 CEAERO CCC[C@@H]1C[NH2+]CCN1C[C@@H]1COc2ccccc21 ZINC000092307253 180360763 /nfs/dbraw/zinc/36/07/63/180360763.db2.gz ZHKRXJCVNJWCGD-ZIAGYGMSSA-N 1 0 260.381 2.237 10 0 CEAERO Cc1ccc(N2CCC[N@H+](C/C=C/Cl)CC2)nn1 ZINC000105909532 186089466 /nfs/dbraw/zinc/08/94/66/186089466.db2.gz FEBQROLBTYIYIJ-QHHAFSJGSA-N 1 0 266.776 2.050 10 0 CEAERO c1cnn(CC2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000105920159 186090270 /nfs/dbraw/zinc/09/02/70/186090270.db2.gz MKPQADOEYUHBGC-UHFFFAOYSA-N 1 0 270.380 2.233 10 0 CEAERO C[C@@H](c1ccc(F)cc1)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105924227 186091209 /nfs/dbraw/zinc/09/12/09/186091209.db2.gz VRNJQLJQIBMKNY-SWLSCSKDSA-N 1 0 266.360 2.149 10 0 CEAERO Cc1cc(C)cc(CN2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c1 ZINC000106097846 186101491 /nfs/dbraw/zinc/10/14/91/186101491.db2.gz NXAIZPBCOVDUKM-HZPDHXFCSA-N 1 0 276.424 2.190 10 0 CEAERO COCC[N@@H+]1CCN(Cc2ccc(Cl)cc2)C[C@H]1C ZINC000106110282 186102285 /nfs/dbraw/zinc/10/22/85/186102285.db2.gz QYQLRPITEAETTK-CYBMUJFWSA-N 1 0 282.815 2.493 10 0 CEAERO Cc1noc(C)c1[C@@H](C)NC(=[NH2+])NC1CCCC1 ZINC000092339443 180365353 /nfs/dbraw/zinc/36/53/53/180365353.db2.gz XJUPEPCNBZOHKD-MRVPVSSYSA-N 1 0 250.346 2.409 10 0 CEAERO CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1c(C)nn(C)c1C ZINC000092341845 180365774 /nfs/dbraw/zinc/36/57/74/180365774.db2.gz WDKPESSWZQFZKW-GOOCMWNKSA-N 1 0 276.428 2.142 10 0 CEAERO Cc1noc(C)c1CN1CCC[NH2+][C@H](C(C)C)C1 ZINC000092342879 180366323 /nfs/dbraw/zinc/36/63/23/180366323.db2.gz CGIGRQIAMCLKEA-AWEZNQCLSA-N 1 0 251.374 2.111 10 0 CEAERO Cc1noc(C)c1CN1C[C@H](C)[NH2+]C[C@@H]1C(C)C ZINC000092342638 180366529 /nfs/dbraw/zinc/36/65/29/180366529.db2.gz MYUOUEXJBQOJBT-IINYFYTJSA-N 1 0 251.374 2.110 10 0 CEAERO Cc1cc(CN2CCC[C@H]2C[NH3+])c2ccccc2n1 ZINC000092348386 180367691 /nfs/dbraw/zinc/36/76/91/180367691.db2.gz ZXSNETJTXGMTSS-AWEZNQCLSA-N 1 0 255.365 2.466 10 0 CEAERO CCN(Cc1cccc(Cl)n1)[C@H]1CCC[NH2+]C1 ZINC000092366783 180369260 /nfs/dbraw/zinc/36/92/60/180369260.db2.gz BORBACHJABXBKX-LBPRGKRZSA-N 1 0 253.777 2.309 10 0 CEAERO C[C@H]1CC[NH2+]CCN1Cc1ccnc2ccccc12 ZINC000092365854 180369332 /nfs/dbraw/zinc/36/93/32/180369332.db2.gz LXLXYXMTGGNZKY-ZDUSSCGKSA-N 1 0 255.365 2.419 10 0 CEAERO CC[C@H]1CN(Cc2ccnc3ccccc23)CC[NH2+]1 ZINC000092365528 180369417 /nfs/dbraw/zinc/36/94/17/180369417.db2.gz TXTYCQRCBSOZOP-AWEZNQCLSA-N 1 0 255.365 2.419 10 0 CEAERO CN(Cc1cccc(NN)[nH+]1)Cc1ccccc1F ZINC000092369595 180369933 /nfs/dbraw/zinc/36/99/33/180369933.db2.gz PDBRHGRCKLGWMA-UHFFFAOYSA-N 1 0 260.316 2.138 10 0 CEAERO CCNc1cccc(CN(C)C2CC[NH+](C)CC2)n1 ZINC000092368027 180370068 /nfs/dbraw/zinc/37/00/68/180370068.db2.gz FVJKGIMYQABYLM-UHFFFAOYSA-N 1 0 262.401 2.039 10 0 CEAERO CCCNc1cccc(CN(C)CCC[NH+](C)C)n1 ZINC000092370870 180370439 /nfs/dbraw/zinc/37/04/39/180370439.db2.gz QSXWVBXYOZXMJR-UHFFFAOYSA-N 1 0 264.417 2.287 10 0 CEAERO Cc1cc(C)cc(C[NH2+]C[C@H]2CN(C3CC3)CCO2)c1 ZINC000106379426 186112410 /nfs/dbraw/zinc/11/24/10/186112410.db2.gz QFDYPBBGZVBNEC-KRWDZBQOSA-N 1 0 274.408 2.256 10 0 CEAERO Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H]2CN(C)CCO2)c1 ZINC000106388084 186112680 /nfs/dbraw/zinc/11/26/80/186112680.db2.gz RHGUNGFEQKEULV-HUUCEWRRSA-N 1 0 262.397 2.285 10 0 CEAERO CCc1nc(CSC)nc(CC)c1CC[NH2+]C ZINC000092318317 180360967 /nfs/dbraw/zinc/36/09/67/180360967.db2.gz NCNUNGMIYYQWOX-UHFFFAOYSA-N 1 0 253.415 2.226 10 0 CEAERO CCc1nc(Cc2ccncc2)nc(CC)c1CC[NH3+] ZINC000092318284 180360999 /nfs/dbraw/zinc/36/09/99/180360999.db2.gz WFJZDPHBQNQFLK-UHFFFAOYSA-N 1 0 270.380 2.088 10 0 CEAERO CCCCS(=O)(=O)[C@H]1CCc2ccc(OC)cc2[C@@H]1[NH3+] ZINC000092388673 180374393 /nfs/dbraw/zinc/37/43/93/180374393.db2.gz NESFJXWYVHAQQG-GJZGRUSLSA-N 1 0 297.420 2.225 10 0 CEAERO CC[NH2+][C@@]1(CC(=O)OC)CCCc2ccc(OC)cc21 ZINC000092390507 180375105 /nfs/dbraw/zinc/37/51/05/180375105.db2.gz KDXIXLNRFODHEC-MRXNPFEDSA-N 1 0 277.364 2.399 10 0 CEAERO COC(=O)C[C@@]1([C@@H](C)[NH3+])CCCc2ccc(OC)cc21 ZINC000092390623 180375204 /nfs/dbraw/zinc/37/52/04/180375204.db2.gz BCXWPTUMOKHJRR-BDJLRTHQSA-N 1 0 277.364 2.180 10 0 CEAERO CC[C@H]([NH3+])[C@@]1(CCO)CCCc2ccc(OC)cc21 ZINC000092390676 180375354 /nfs/dbraw/zinc/37/53/54/180375354.db2.gz LNUBOQSMUVVXSS-JKSUJKDBSA-N 1 0 263.381 2.389 10 0 CEAERO CCOc1cccc(C[NH2+][C@@H](CO)C(C)C)c1OC ZINC000092392014 180375867 /nfs/dbraw/zinc/37/58/67/180375867.db2.gz HRASXACDZRDAKK-ZDUSSCGKSA-N 1 0 267.369 2.200 10 0 CEAERO COc1ccc(C[C@H](C)[NH2+][C@@H](CO)C(C)C)cc1 ZINC000092393872 180376095 /nfs/dbraw/zinc/37/60/95/180376095.db2.gz NRUFHXGDDKFYFL-WFASDCNBSA-N 1 0 251.370 2.233 10 0 CEAERO CCn1nc(C[NH2+][C@H](CO)C(C)C)c2ccccc21 ZINC000092394919 180376608 /nfs/dbraw/zinc/37/66/08/180376608.db2.gz ANZGBJUWXPDOAL-CQSZACIVSA-N 1 0 261.369 2.163 10 0 CEAERO CC(C)[C@@H](CO)[NH2+]C[C@H]1Cc2cc(Cl)ccc2O1 ZINC000092400476 180377832 /nfs/dbraw/zinc/37/78/32/180377832.db2.gz GTMHJUDCORTRBU-CHWSQXEVSA-N 1 0 269.772 2.250 10 0 CEAERO CC(C)[C@H]1CO[C@@H](c2nc3ccccc3n2C)C[NH2+]1 ZINC000092403210 180378018 /nfs/dbraw/zinc/37/80/18/180378018.db2.gz KOLQWLZWDRWZBX-TZMCWYRMSA-N 1 0 259.353 2.259 10 0 CEAERO CCNc1cc[nH+]c(CN2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000092418399 180381156 /nfs/dbraw/zinc/38/11/56/180381156.db2.gz CXJLVPZEUKXTSZ-LSDHHAIUSA-N 1 0 261.369 2.267 10 0 CEAERO CCCNc1cc[nH+]c(CN2CCC[C@@H]2C(=O)OCC)c1 ZINC000092418333 180381346 /nfs/dbraw/zinc/38/13/46/180381346.db2.gz UYHZQEAQRZSHSH-OAHLLOKOSA-N 1 0 291.395 2.431 10 0 CEAERO CNc1cc[nH+]c(CN2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000092418839 180382777 /nfs/dbraw/zinc/38/27/77/180382777.db2.gz QIXYURYIUZKOQT-LSDHHAIUSA-N 1 0 261.369 2.267 10 0 CEAERO C[NH2+][C@@H]1c2cc(OC)ccc2CC[C@@H]1n1cccn1 ZINC000092385988 180373503 /nfs/dbraw/zinc/37/35/03/180373503.db2.gz XXEVSHXXNIAPOC-LSDHHAIUSA-N 1 0 257.337 2.340 10 0 CEAERO COC[C@H](C)O[C@@H]1CCc2ccc(OC)cc2[C@@H]1[NH3+] ZINC000092386845 180373725 /nfs/dbraw/zinc/37/37/25/180373725.db2.gz BZAGYTPUZCCUJG-VQISRLSMSA-N 1 0 265.353 2.061 10 0 CEAERO CC[NH2+][C@H]1c2cc(OC)ccc2CC[C@H]1OCCOC ZINC000092386363 180373864 /nfs/dbraw/zinc/37/38/64/180373864.db2.gz KRIPJHZQNUWLAB-CVEARBPZSA-N 1 0 279.380 2.324 10 0 CEAERO C[NH2+][C@@H]1c2cc(OC)ccc2CC[C@@H]1n1ccnc1 ZINC000092386049 180374044 /nfs/dbraw/zinc/37/40/44/180374044.db2.gz DOYRGZFOGRQMOV-LSDHHAIUSA-N 1 0 257.337 2.340 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@H](N1CCOCC1(C)C)CC2 ZINC000092385715 180374088 /nfs/dbraw/zinc/37/40/88/180374088.db2.gz MZWCHAJDXVIVIR-CVEARBPZSA-N 1 0 290.407 2.121 10 0 CEAERO C[NH2+][C@@H]1c2cc(OC)ccc2CC[C@H]1N(C)CCCOC ZINC000092385837 180374210 /nfs/dbraw/zinc/37/42/10/180374210.db2.gz OMZCNXZKCGLJQJ-IAGOWNOFSA-N 1 0 292.423 2.239 10 0 CEAERO Cc1cccc(COc2ccc(C)nc2CC[NH3+])n1 ZINC000092432036 180384444 /nfs/dbraw/zinc/38/44/44/180384444.db2.gz RJKTXEQZCVRKIY-UHFFFAOYSA-N 1 0 257.337 2.174 10 0 CEAERO CC[C@H]([NH2+][C@H]1CC(=O)N(C(C)C)C1=O)c1ccccc1 ZINC000106923596 186150918 /nfs/dbraw/zinc/15/09/18/186150918.db2.gz GRYRWRVQRRPXPW-KBPBESRZSA-N 1 0 274.364 2.263 10 0 CEAERO CC(C)N1C(=O)C[C@@H]([NH2+][C@@H]2CCCc3ccccc32)C1=O ZINC000106924450 186151612 /nfs/dbraw/zinc/15/16/12/186151612.db2.gz SYDKGKPYNXVPMD-HUUCEWRRSA-N 1 0 286.375 2.190 10 0 CEAERO COCCCN(CCOC)C(=[NH2+])Nc1ccccc1 ZINC000107074930 186159327 /nfs/dbraw/zinc/15/93/27/186159327.db2.gz XDZYKBAURBCSAB-UHFFFAOYSA-N 1 0 265.357 2.018 10 0 CEAERO CCN1C(=O)C[C@@H]([NH2+]Cc2cccc3ccccc32)C1=O ZINC000107080778 186160044 /nfs/dbraw/zinc/16/00/44/186160044.db2.gz PIZSDOAQKRCDNK-OAHLLOKOSA-N 1 0 282.343 2.077 10 0 CEAERO COc1ccc(-c2cn3c(n2)[C@H](C)C[C@H]([NH3+])C3)cc1OC ZINC000107827681 186193914 /nfs/dbraw/zinc/19/39/14/186193914.db2.gz JLUGXNOEJMQCLL-PWSUYJOCSA-N 1 0 287.363 2.402 10 0 CEAERO C[C@H]1CCCC[N@@H+]1CCCn1c(N)nc2cnccc21 ZINC000092513557 180399554 /nfs/dbraw/zinc/39/95/54/180399554.db2.gz YEEJIZZFJKAVMQ-LBPRGKRZSA-N 1 0 273.384 2.278 10 0 CEAERO Cc1nn(C)c2c1[nH]c(=S)n2[C@@H](C[NH+](C)C)C(C)C ZINC000092538618 180401962 /nfs/dbraw/zinc/40/19/62/180401962.db2.gz XESJPFSYGILZMK-JTQLQIEISA-N 1 0 281.429 2.500 10 0 CEAERO CC[C@@H](C)N1CCN(C(=[NH2+])Nc2ccccc2)CC1 ZINC000108129327 186206504 /nfs/dbraw/zinc/20/65/04/186206504.db2.gz DIWZJMZXBBYEME-CYBMUJFWSA-N 1 0 260.385 2.449 10 0 CEAERO CCc1nn(C)c2c1nc(N)n2[C@@H](CC(C)C)C[NH+](C)C ZINC000092578297 180407173 /nfs/dbraw/zinc/40/71/73/180407173.db2.gz BVTMFHSTCOOTKX-NSHDSACASA-N 1 0 292.431 2.063 10 0 CEAERO COc1ccc([C@H](O)C[NH2+]CC2(O)CCCCC2)cc1 ZINC000109122126 186243840 /nfs/dbraw/zinc/24/38/40/186243840.db2.gz KIFOXEXPYHSAMC-OAHLLOKOSA-N 1 0 279.380 2.013 10 0 CEAERO CSC[C@@H](C)C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000108959172 186237927 /nfs/dbraw/zinc/23/79/27/186237927.db2.gz GDRIMGYSSLVHQX-OCCSQVGLSA-N 1 0 280.437 2.405 10 0 CEAERO [NH3+][C@H]1CCCCC[C@H]1c1nc(C[C@@H]2CCCO2)no1 ZINC000109495526 186256439 /nfs/dbraw/zinc/25/64/39/186256439.db2.gz KEGRTAXMGAXYRN-TUAOUCFPSA-N 1 0 265.357 2.166 10 0 CEAERO C[NH2+][C@H]1CCCCC[C@@H]1c1nc(C[C@@H]2CCCO2)no1 ZINC000109495590 186256912 /nfs/dbraw/zinc/25/69/12/186256912.db2.gz XUIXYHUEVWSCGC-AVGNSLFASA-N 1 0 279.384 2.427 10 0 CEAERO CCC[C@@H]([NH3+])Cc1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000109505635 186257096 /nfs/dbraw/zinc/25/70/96/186257096.db2.gz BZGRFWMIARWZIA-LLVKDONJSA-N 1 0 291.351 2.424 10 0 CEAERO CCC[NH2+][C@@H](Cc1nc(-c2ncccn2)no1)C(C)C ZINC000109505469 186257498 /nfs/dbraw/zinc/25/74/98/186257498.db2.gz HNTVKKJHFINXKI-NSHDSACASA-N 1 0 275.356 2.093 10 0 CEAERO C[NH2+][C@@H](C)[C@H](c1nc(Cc2ccccn2)no1)C(C)C ZINC000109499821 186257580 /nfs/dbraw/zinc/25/75/80/186257580.db2.gz JHUFVMZGUQFXMJ-SMDDNHRTSA-N 1 0 274.368 2.403 10 0 CEAERO CC[NH2+][C@@H](C)[C@H](c1nc(-c2cnccn2)no1)C(C)C ZINC000109507288 186258062 /nfs/dbraw/zinc/25/80/62/186258062.db2.gz YVTCMGZOLBQLSX-CMPLNLGQSA-N 1 0 275.356 2.264 10 0 CEAERO C[NH2+][C@@H](Cc1nc(COc2ccccc2)no1)C1CC1 ZINC000109509543 186258184 /nfs/dbraw/zinc/25/81/84/186258184.db2.gz DEHNXYSALQVBOD-ZDUSSCGKSA-N 1 0 273.336 2.189 10 0 CEAERO C[NH2+][C@@H]1CCC[C@@H]1c1nc(Cc2csc(C)n2)no1 ZINC000109511442 186258524 /nfs/dbraw/zinc/25/85/24/186258524.db2.gz YGWMJHLCBJQVOI-WDEREUQCSA-N 1 0 278.381 2.281 10 0 CEAERO C[NH2+][C@@H](Cc1nc(CCc2ccccc2)no1)C1CC1 ZINC000109515730 186258923 /nfs/dbraw/zinc/25/89/23/186258923.db2.gz NQGHKEQOTLCKOA-AWEZNQCLSA-N 1 0 271.364 2.395 10 0 CEAERO CN1CCc2cc(-c3nc(C4CC4)cc(NN)[nH+]3)ccc21 ZINC000109528101 186259769 /nfs/dbraw/zinc/25/97/69/186259769.db2.gz LEHQLYWWCSSDLV-UHFFFAOYSA-N 1 0 281.363 2.299 10 0 CEAERO CN(C)c1ccc(-c2nc(C3CC3)cc(NN)[nH+]2)cc1 ZINC000109528161 186260082 /nfs/dbraw/zinc/26/00/82/186260082.db2.gz RZVFZCBUUFYLFM-UHFFFAOYSA-N 1 0 269.352 2.373 10 0 CEAERO COc1cccc(C(=O)NCc2ccc(C[NH3+])cc2F)c1 ZINC000109540180 186260761 /nfs/dbraw/zinc/26/07/61/186260761.db2.gz RKSGJPUYZLMCMM-UHFFFAOYSA-N 1 0 288.322 2.223 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1cc(Cl)ccn1 ZINC000236046191 539803406 /nfs/dbraw/zinc/80/34/06/539803406.db2.gz MKTULGMGZFQUAP-SECBINFHSA-N 1 0 253.733 2.063 10 0 CEAERO CCC[NH2+][C@H]1C(=O)Nc2cc(-n3nc(C)cc3C)ccc21 ZINC000109572832 186263415 /nfs/dbraw/zinc/26/34/15/186263415.db2.gz JLENYKNQOQRRIU-OAHLLOKOSA-N 1 0 284.363 2.482 10 0 CEAERO [NH3+]Cc1cc(OC[C@H]2CCOC2)c2ccccc2n1 ZINC000109590749 186265082 /nfs/dbraw/zinc/26/50/82/186265082.db2.gz SWLWQNGFHGKBEC-NSHDSACASA-N 1 0 258.321 2.109 10 0 CEAERO CCCN(CC(=O)OCC)Cc1ccc(F)cc1C[NH3+] ZINC000109604075 186267959 /nfs/dbraw/zinc/26/79/59/186267959.db2.gz UFKOFGPMTJWGHL-UHFFFAOYSA-N 1 0 282.359 2.060 10 0 CEAERO CCOC(=O)CN(C(C)C)[C@H]1CCCCC[C@@H]1C[NH3+] ZINC000109685034 186269107 /nfs/dbraw/zinc/26/91/07/186269107.db2.gz YWJIXDDYRZYNPG-KGLIPLIRSA-N 1 0 270.417 2.168 10 0 CEAERO Cc1nnc(S[C@H]2CCCCC[C@H]2C[NH3+])n1C ZINC000109687063 186269336 /nfs/dbraw/zinc/26/93/36/186269336.db2.gz RODFWICMWVBLDE-QWRGUYRKSA-N 1 0 254.403 2.123 10 0 CEAERO CCCC[C@H](CC)C(=O)N1CCN([C@@H](C[NH3+])CCC)CC1 ZINC000109449317 186253012 /nfs/dbraw/zinc/25/30/12/186253012.db2.gz DIUAORPXVYKKNN-JKSUJKDBSA-N 1 0 297.487 2.474 10 0 CEAERO CC[C@H](C[NH3+])N1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000109448611 186253239 /nfs/dbraw/zinc/25/32/39/186253239.db2.gz XOAKDAIFYKNUDB-MRXNPFEDSA-N 1 0 295.471 2.228 10 0 CEAERO C[C@H](CC(=O)N1CCN(C(C)(C)C[NH3+])CC1)CC(C)(C)C ZINC000109450173 186253270 /nfs/dbraw/zinc/25/32/70/186253270.db2.gz LIFFFSCCTRGHMZ-CQSZACIVSA-N 1 0 297.487 2.330 10 0 CEAERO CCCC[C@@H](CC)C(=O)N1CCN([C@@H](CC)C[NH3+])CC1 ZINC000109448775 186253383 /nfs/dbraw/zinc/25/33/83/186253383.db2.gz RQENNFJFXZSHQB-CABCVRRESA-N 1 0 283.460 2.084 10 0 CEAERO Cc1cc(C)cc(-c2nc([C@H](C)N3CC[NH2+]CC3)no2)c1 ZINC000109473899 186254680 /nfs/dbraw/zinc/25/46/80/186254680.db2.gz BLVJHLKKMUUZQP-ZDUSSCGKSA-N 1 0 286.379 2.320 10 0 CEAERO CCCc1csc([C@@H](CC)N2CC[NH2+]CC2)n1 ZINC000109472592 186255326 /nfs/dbraw/zinc/25/53/26/186255326.db2.gz ITFJYGXMMKQGTC-GFCCVEGCSA-N 1 0 253.415 2.452 10 0 CEAERO Cc1nnc(SCC[NH2+][C@H]2CCCC[C@H]2C)n1C ZINC000110250139 186289066 /nfs/dbraw/zinc/28/90/66/186289066.db2.gz HRIRFDBSQFLDPH-PWSUYJOCSA-N 1 0 268.430 2.384 10 0 CEAERO CC[NH+](CC)[C@@H]1CCN(c2nc(C)c([C@@H](C)O)s2)C1 ZINC000110271586 186289865 /nfs/dbraw/zinc/28/98/65/186289865.db2.gz KGTUTDJNKLKWIA-VXGBXAGGSA-N 1 0 283.441 2.425 10 0 CEAERO CC[NH+](CC)[C@H]1CCN(C[C@@H]2CNc3ccccc3O2)C1 ZINC000110370655 186294230 /nfs/dbraw/zinc/29/42/30/186294230.db2.gz MOQFVNCYTPMHOX-GJZGRUSLSA-N 1 0 289.423 2.276 10 0 CEAERO CCC[C@@H]([NH3+])Cc1nc(-c2ccc(OC)cc2)no1 ZINC000110444805 186296236 /nfs/dbraw/zinc/29/62/36/186296236.db2.gz FGJQBGZPSXWEFI-LLVKDONJSA-N 1 0 261.325 2.415 10 0 CEAERO CC[C@@]1(c2nc(-c3cccc(C)n3)no2)CC[NH2+]C1 ZINC000110473345 186297997 /nfs/dbraw/zinc/29/79/97/186297997.db2.gz FXILTXICZWYJDI-CQSZACIVSA-N 1 0 258.325 2.081 10 0 CEAERO Clc1ccc(O[C@@H]2CCOC2)nc1C[NH2+]C1CC1 ZINC000110532622 186302180 /nfs/dbraw/zinc/30/21/80/186302180.db2.gz FXVVVRJQKGANSM-SNVBAGLBSA-N 1 0 268.744 2.155 10 0 CEAERO CC[C@@](C)([NH3+])c1noc([C@@H]2COc3ccccc3C2)n1 ZINC000110540953 186302460 /nfs/dbraw/zinc/30/24/60/186302460.db2.gz HBNRGKCNIZHZIE-XHDPSFHLSA-N 1 0 273.336 2.372 10 0 CEAERO C[C@](O)(c1cccc2cnccc21)[C@H]1CCC[NH2+]C1 ZINC000110552191 186303160 /nfs/dbraw/zinc/30/31/60/186303160.db2.gz JLWZMVXNLCSLQR-XJKSGUPXSA-N 1 0 256.349 2.442 10 0 CEAERO C[C@@H]1CCC[C@H]1NC(=O)CC1CCC(C[NH3+])CC1 ZINC000110618406 186305206 /nfs/dbraw/zinc/30/52/06/186305206.db2.gz VLSNUKKUNUVNDL-BLYZHGLHSA-N 1 0 252.402 2.446 10 0 CEAERO CCCN(CC[NH+](C)C)c1cc(OC)c(F)cc1N ZINC000110627560 186306294 /nfs/dbraw/zinc/30/62/94/186306294.db2.gz BMICOIVTEPILKF-UHFFFAOYSA-N 1 0 269.364 2.195 10 0 CEAERO COc1cc(N2CCC[N@@H+]3CCC[C@@H]3C2)c(N)cc1F ZINC000110627991 186306861 /nfs/dbraw/zinc/30/68/61/186306861.db2.gz VPMXOXXONSDPKB-LLVKDONJSA-N 1 0 279.359 2.091 10 0 CEAERO COc1cc2c(cc1F)[nH+]c(N)n2Cc1cc(C)on1 ZINC000110629970 186307621 /nfs/dbraw/zinc/30/76/21/186307621.db2.gz CQBCFQOFIPYOMW-UHFFFAOYSA-N 1 0 276.271 2.111 10 0 CEAERO COc1cc2c(cc1F)[nH+]c(N)n2C[C@@H]1CCCOC1 ZINC000110629982 186308136 /nfs/dbraw/zinc/30/81/36/186308136.db2.gz GNLPSFJXDQFORL-VIFPVBQESA-N 1 0 279.315 2.193 10 0 CEAERO COc1ccc([C@@H](C[NH3+])NC(C)C)c(Cl)c1OC ZINC000110829459 186327615 /nfs/dbraw/zinc/32/76/15/186327615.db2.gz SKBTWZNTXNATEZ-SNVBAGLBSA-N 1 0 272.776 2.355 10 0 CEAERO CC[NH2+][C@H]1CCC2(C[C@@H]1N(C)CC1CCCC1)OCCO2 ZINC000110836483 186328450 /nfs/dbraw/zinc/32/84/50/186328450.db2.gz VVEBINKBJYHCRJ-HOTGVXAUSA-N 1 0 296.455 2.382 10 0 CEAERO CCOC(=O)[C@H](CC[N@H+](C)CC1CCCC1)NC(C)C ZINC000110841165 186328456 /nfs/dbraw/zinc/32/84/56/186328456.db2.gz MDSWLFQCPOFTHU-HNNXBMFYSA-N 1 0 284.444 2.428 10 0 CEAERO C[C@@H](C[NH2+]C[C@@H]1CCCO1)N(C)CC1CCCC1 ZINC000110845135 186328460 /nfs/dbraw/zinc/32/84/60/186328460.db2.gz JRPLXPNXSNDSKP-ZFWWWQNUSA-N 1 0 254.418 2.266 10 0 CEAERO CC(C)[NH2+][C@@](C)(CC[N@H+](C)CC1CCCC1)C(=O)[O-] ZINC000110841074 186328776 /nfs/dbraw/zinc/32/87/76/186328776.db2.gz GEVZDQZSUOCOAL-HNNXBMFYSA-N 1 0 270.417 2.340 10 0 CEAERO NC(=[NH2+])c1ccc(COc2ccccc2CO)cc1 ZINC000110993789 186341273 /nfs/dbraw/zinc/34/12/73/186341273.db2.gz FDZZWWNOXABNFX-UHFFFAOYSA-N 1 0 256.305 2.042 10 0 CEAERO C[C@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)N(C)CC1CCCC1 ZINC000110848226 186329394 /nfs/dbraw/zinc/32/93/94/186329394.db2.gz SFBJQEORFFTXDE-UBHSHLNASA-N 1 0 252.402 2.399 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1cnccn1)c1cccnc1 ZINC000110913178 186332252 /nfs/dbraw/zinc/33/22/52/186332252.db2.gz LSBYDOIMJAGCMD-AAEUAGOBSA-N 1 0 260.366 2.442 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1cnccn1)c1ccncc1 ZINC000110912604 186332835 /nfs/dbraw/zinc/33/28/35/186332835.db2.gz BADKQZCPNVJDFT-WCQYABFASA-N 1 0 260.366 2.442 10 0 CEAERO CN(CCC(=O)Nc1cccc(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000110931853 186333136 /nfs/dbraw/zinc/33/31/36/186333136.db2.gz WBKCAAANDNRQIY-CQSZACIVSA-N 1 0 295.814 2.352 10 0 CEAERO CN(Cc1cc(Cl)cc2c1OCOC2)[C@H]1CCC[NH2+]C1 ZINC000110930117 186333412 /nfs/dbraw/zinc/33/34/12/186333412.db2.gz FITAYDZWPMHKCS-AWEZNQCLSA-N 1 0 296.798 2.390 10 0 CEAERO CN(CCC(=O)Nc1cccc(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000110931855 186333911 /nfs/dbraw/zinc/33/39/11/186333911.db2.gz WBKCAAANDNRQIY-AWEZNQCLSA-N 1 0 295.814 2.352 10 0 CEAERO CCN(Cc1ccc2c(c1)OCCO2)[C@H]1CCC[NH2+]C1 ZINC000110936625 186334210 /nfs/dbraw/zinc/33/42/10/186334210.db2.gz TULSWJSOFZOGMU-AWEZNQCLSA-N 1 0 276.380 2.032 10 0 CEAERO CCCN(C(=O)c1cc(Cl)c[nH]1)[C@H]1CCC[NH2+]C1 ZINC000110941060 186334552 /nfs/dbraw/zinc/33/45/52/186334552.db2.gz KRQGFHZCNMYCRQ-NSHDSACASA-N 1 0 269.776 2.272 10 0 CEAERO CCN(C(=O)Cc1c[nH]c2ccccc12)[C@@H]1CCC[NH2+]C1 ZINC000110939344 186335061 /nfs/dbraw/zinc/33/50/61/186335061.db2.gz CRAOFSHAMIIOAU-CQSZACIVSA-N 1 0 285.391 2.311 10 0 CEAERO CCCN(Cc1cn2ccccc2n1)[C@@H]1CCC[NH2+]C1 ZINC000110945926 186335236 /nfs/dbraw/zinc/33/52/36/186335236.db2.gz RWAKXOQVDLYMNQ-OAHLLOKOSA-N 1 0 272.396 2.298 10 0 CEAERO CCCN(CC(=O)N1CCCCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000110946461 186335292 /nfs/dbraw/zinc/33/52/92/186335292.db2.gz WSEAYSGMHGMRCM-MRXNPFEDSA-N 1 0 295.471 2.243 10 0 CEAERO CCCN(Cc1occc1C(=O)OC)[C@H]1CCC[NH2+]C1 ZINC000110945494 186335449 /nfs/dbraw/zinc/33/54/49/186335449.db2.gz QWTZNMPXMQBDHY-LBPRGKRZSA-N 1 0 280.368 2.030 10 0 CEAERO CCN(CCc1scnc1C)[C@H]1CCC[NH2+]C1 ZINC000110943808 186335897 /nfs/dbraw/zinc/33/58/97/186335897.db2.gz NBUGFPFYIFZVHM-LBPRGKRZSA-N 1 0 253.415 2.068 10 0 CEAERO CSc1ccc(OCC[NH2+]C[C@H]2CCOC2)cc1 ZINC000110985993 186339233 /nfs/dbraw/zinc/33/92/33/186339233.db2.gz VJVYDJSSKIFRGD-GFCCVEGCSA-N 1 0 267.394 2.413 10 0 CEAERO CCNc1ccccc1C(=O)N1CC[N@H+](C)[C@H](CC)C1 ZINC000110696996 186313801 /nfs/dbraw/zinc/31/38/01/186313801.db2.gz DWXIWENTCNCAQC-CYBMUJFWSA-N 1 0 275.396 2.285 10 0 CEAERO CC[C@H]1CN(Cc2ccc(N)cc2Cl)CC[N@@H+]1C ZINC000110704284 186315059 /nfs/dbraw/zinc/31/50/59/186315059.db2.gz OYVPNXNBMRLLKW-ZDUSSCGKSA-N 1 0 267.804 2.448 10 0 CEAERO Cc1ccc([C@H](O)C[N@H+]2CCN(C)C(C)(C)C2)c(C)c1 ZINC000110736634 186319484 /nfs/dbraw/zinc/31/94/84/186319484.db2.gz KTCXMKYXHNAZCB-MRXNPFEDSA-N 1 0 276.424 2.363 10 0 CEAERO [NH3+]C[C@@H](Oc1ccccc1CO)c1cccc(F)c1 ZINC000110993291 186341105 /nfs/dbraw/zinc/34/11/05/186341105.db2.gz GFKDPHIJYDDIAT-OAHLLOKOSA-N 1 0 261.296 2.397 10 0 CEAERO CC[C@@H]1CN(c2nc(C)c([C@@H](C)O)s2)CC[N@@H+]1C ZINC000110759478 186319690 /nfs/dbraw/zinc/31/96/90/186319690.db2.gz LNRXCSJJCDLSEW-GHMZBOCLSA-N 1 0 269.414 2.035 10 0 CEAERO CCOC(=O)c1cc(C)sc1NC(=O)[C@H]1CCCC[NH2+]1 ZINC000110777715 186324098 /nfs/dbraw/zinc/32/40/98/186324098.db2.gz QJJGFKNCSHYFHU-LLVKDONJSA-N 1 0 296.392 2.314 10 0 CEAERO CCOC(CC[N@H+](CC)C[C@@H]1CCCO1)OCC ZINC000110785203 186324674 /nfs/dbraw/zinc/32/46/74/186324674.db2.gz SKPKCJHPGBWQKY-ZDUSSCGKSA-N 1 0 259.390 2.277 10 0 CEAERO CC[NH2+]CCCNc1ncnc2sc(C)cc21 ZINC000110779221 186324699 /nfs/dbraw/zinc/32/46/99/186324699.db2.gz MDOJWMLGEZZVGM-UHFFFAOYSA-N 1 0 250.371 2.411 10 0 CEAERO COc1cc(N2CCC(C[NH+](C)C)CC2)ccc1N ZINC000111053321 186348212 /nfs/dbraw/zinc/34/82/12/186348212.db2.gz GAWMUMISJKTLGM-UHFFFAOYSA-N 1 0 263.385 2.055 10 0 CEAERO CCC[C@]1(C(=O)Nc2ccncc2C)CCC[NH2+]C1 ZINC000111043660 186347669 /nfs/dbraw/zinc/34/76/69/186347669.db2.gz DRQIFZGMHUJQDI-HNNXBMFYSA-N 1 0 261.369 2.498 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1ccsc1)N(C)CC1CCOCC1 ZINC000111156470 186362627 /nfs/dbraw/zinc/36/26/27/186362627.db2.gz OSJBLKZSPIDPPF-RISCZKNCSA-N 1 0 268.426 2.495 10 0 CEAERO CCOc1ccccc1[C@H](C[NH3+])N(C)C[C@@H]1CCCOC1 ZINC000111157793 186362775 /nfs/dbraw/zinc/36/27/75/186362775.db2.gz JPVGUVPVIVLIMT-HOCLYGCPSA-N 1 0 292.423 2.444 10 0 CEAERO O=c1cc(C[NH2+]C[C@@H]2C[C@H]3CC[C@@H]2C3)nc2ccccn12 ZINC000111089995 186351533 /nfs/dbraw/zinc/35/15/33/186351533.db2.gz SJFZICFZUGFUOD-MJBXVCDLSA-N 1 0 283.375 2.220 10 0 CEAERO O=C(C[NH2+]C[C@H]1C[C@H]2CC[C@@H]1C2)N1CCCCCC1 ZINC000111087477 186351573 /nfs/dbraw/zinc/35/15/73/186351573.db2.gz DOAAJSOIIFOVGN-RRFJBIMHSA-N 1 0 264.413 2.415 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N(C)C[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000111088710 186351763 /nfs/dbraw/zinc/35/17/63/186351763.db2.gz KRJYDVQODFDNHS-XQQFMLRXSA-N 1 0 252.402 2.269 10 0 CEAERO C[N@@H+](Cc1ccc(C(N)=S)cc1F)C[C@@H]1CCCOC1 ZINC000111163012 186363575 /nfs/dbraw/zinc/36/35/75/186363575.db2.gz YQOXFMISWSGTEA-NSHDSACASA-N 1 0 296.411 2.318 10 0 CEAERO CCCOCCOC[C@@H]([NH2+]C)c1ccccc1OC ZINC000111108017 186353214 /nfs/dbraw/zinc/35/32/14/186353214.db2.gz FDDLMRUKVNMHNH-CQSZACIVSA-N 1 0 267.369 2.399 10 0 CEAERO COC(C[NH2+]CCCn1ccc2ccccc21)OC ZINC000111111919 186353655 /nfs/dbraw/zinc/35/36/55/186353655.db2.gz QREVUBLCRDXJBQ-UHFFFAOYSA-N 1 0 262.353 2.240 10 0 CEAERO CCOCCN(CC)[C@H](c1ccco1)[C@@H]([NH3+])CC ZINC000111116631 186353879 /nfs/dbraw/zinc/35/38/79/186353879.db2.gz OFZWXOBLUSXXIC-JSGCOSHPSA-N 1 0 254.374 2.416 10 0 CEAERO CCOCCN(CC)[C@@H](C[NH3+])c1c(F)cccc1F ZINC000111117534 186354535 /nfs/dbraw/zinc/35/45/35/186354535.db2.gz QQGCOVMHKPWRDG-ZDUSSCGKSA-N 1 0 272.339 2.323 10 0 CEAERO CCOCCN(CC)c1[nH+]c(C)cc(C)c1CO ZINC000111120984 186354551 /nfs/dbraw/zinc/35/45/51/186354551.db2.gz DWYGMGMGEJXJND-UHFFFAOYSA-N 1 0 252.358 2.054 10 0 CEAERO CCOCCN(CC)[C@H](c1ccc(C)o1)[C@@H](C)[NH3+] ZINC000111116837 186354978 /nfs/dbraw/zinc/35/49/78/186354978.db2.gz OFRUSBJXYZBRTR-OCCSQVGLSA-N 1 0 254.374 2.335 10 0 CEAERO CCOCCN(CC)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000111117084 186355558 /nfs/dbraw/zinc/35/55/58/186355558.db2.gz CQRJBNGOEUROPA-AWEZNQCLSA-N 1 0 254.349 2.184 10 0 CEAERO CN(CCC[NH+](C)C)C(=O)c1cc2cc(N)ccc2o1 ZINC000111129818 186356694 /nfs/dbraw/zinc/35/66/94/186356694.db2.gz NJKKAMIFHWQFBH-UHFFFAOYSA-N 1 0 275.352 2.039 10 0 CEAERO CCNc1ccccc1C(=O)N(C)CCC[NH+](C)C ZINC000111141539 186358870 /nfs/dbraw/zinc/35/88/70/186358870.db2.gz LVDQPZFKWFOBAY-UHFFFAOYSA-N 1 0 263.385 2.142 10 0 CEAERO CN(CCC[NH+](C)C)c1nc(CO)cc2ccccc21 ZINC000111141474 186359141 /nfs/dbraw/zinc/35/91/41/186359141.db2.gz PEJJAIWWZMPDBO-UHFFFAOYSA-N 1 0 273.380 2.115 10 0 CEAERO CN(C[C@H]1CCCOC1)C(=O)C1(C[NH3+])CCCCCC1 ZINC000111165695 186364004 /nfs/dbraw/zinc/36/40/04/186364004.db2.gz BHPDOCOWUIVPDB-CQSZACIVSA-N 1 0 282.428 2.171 10 0 CEAERO CN(CC1CCOCC1)c1cc(Cl)ccc1C(N)=[NH2+] ZINC000111164051 186364102 /nfs/dbraw/zinc/36/41/02/186364102.db2.gz KYFQTIZACMWTPZ-UHFFFAOYSA-N 1 0 281.787 2.487 10 0 CEAERO CCC[C@]1(C(=O)N(C)C[C@H]2CCCOC2)CCC[NH2+]C1 ZINC000111173141 186365708 /nfs/dbraw/zinc/36/57/08/186365708.db2.gz YAXRJYCIVOSEJP-ZBFHGGJFSA-N 1 0 282.428 2.041 10 0 CEAERO CCN(C(=O)[C@H]1CCOc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000111186339 186367370 /nfs/dbraw/zinc/36/73/70/186367370.db2.gz AFXAPFTYTPYYTC-HIFRSBDPSA-N 1 0 288.391 2.153 10 0 CEAERO O=C(c1ccc2c(c1)COC2)N1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000111306350 186394860 /nfs/dbraw/zinc/39/48/60/186394860.db2.gz FZGSKHRBDFDXGJ-HZPDHXFCSA-N 1 0 286.375 2.073 10 0 CEAERO CC(C)[C@H](C)[NH2+]CCSc1nnc(N(C)C)s1 ZINC000111317313 186395736 /nfs/dbraw/zinc/39/57/36/186395736.db2.gz WSOFUQXMTWZLIY-VIFPVBQESA-N 1 0 274.459 2.330 10 0 CEAERO CC[C@@H](C)[NH2+]C[C@H](C)Sc1nnc(N(C)C)s1 ZINC000111317385 186396067 /nfs/dbraw/zinc/39/60/67/186396067.db2.gz CUCNHGPYEUMPCE-BDAKNGLRSA-N 1 0 274.459 2.473 10 0 CEAERO [NH3+][C@H](c1nc2c(s1)CCCC2)[C@H]1CCCOC1 ZINC000111322169 186397389 /nfs/dbraw/zinc/39/73/89/186397389.db2.gz VROQJBJWCNIYCO-CABZTGNLSA-N 1 0 252.383 2.448 10 0 CEAERO CC[NH2+]C[C@]1(CN2CCc3ccccc3C2)CCCOC1 ZINC000111324260 186397919 /nfs/dbraw/zinc/39/79/19/186397919.db2.gz WEWIEUBFTCIZQY-SFHVURJKSA-N 1 0 288.435 2.451 10 0 CEAERO Cc1ccc(N(C)C[C@@]2(C[NH3+])CCCOC2)c(C)c1 ZINC000111327435 186398665 /nfs/dbraw/zinc/39/86/65/186398665.db2.gz ZOLCNCVIJUHQPT-INIZCTEOSA-N 1 0 262.397 2.495 10 0 CEAERO CCC[NH2+]C[C@]1(CN(C)Cc2ccncc2)CCCOC1 ZINC000111325734 186398666 /nfs/dbraw/zinc/39/86/66/186398666.db2.gz DITGUNALOYEDJU-KRWDZBQOSA-N 1 0 291.439 2.310 10 0 CEAERO Cc1cc2c(ncnc2N2[C@@H]3CC[C@H]2CC([NH3+])C3)s1 ZINC000111237560 186373092 /nfs/dbraw/zinc/37/30/92/186373092.db2.gz HPXUCJVYVFLQAO-FGWVZKOKSA-N 1 0 274.393 2.458 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000111255803 186379315 /nfs/dbraw/zinc/37/93/15/186379315.db2.gz OAMHBSGDXQSVRV-ZJUUUORDSA-N 1 0 273.336 2.047 10 0 CEAERO COc1cc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)c(OC)cc1Cl ZINC000111262925 186380896 /nfs/dbraw/zinc/38/08/96/186380896.db2.gz BQHQBDUXXNECHR-RKDXNWHRSA-N 1 0 298.770 2.151 10 0 CEAERO COc1ccc(C)cc1[C@@H](C)NC(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000111265218 186382013 /nfs/dbraw/zinc/38/20/13/186382013.db2.gz HRBBVFMDQOIWRG-OUCADQQQSA-N 1 0 276.380 2.036 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000111268090 186382398 /nfs/dbraw/zinc/38/23/98/186382398.db2.gz XIVBDZLPOADISU-VBNZEHGJSA-N 1 0 272.392 2.378 10 0 CEAERO CCOc1cc(C)ccc1NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000111267587 186383035 /nfs/dbraw/zinc/38/30/35/186383035.db2.gz QPJQSYKRRKCZQJ-VXGBXAGGSA-N 1 0 262.353 2.188 10 0 CEAERO C[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1C)c1cc2ccccc2o1 ZINC000111266210 186383104 /nfs/dbraw/zinc/38/31/04/186383104.db2.gz MQAGFEXUHCKXOM-GVXVVHGQSA-N 1 0 272.348 2.466 10 0 CEAERO CCC[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@@H]1C)c1ccccc1 ZINC000111266138 186383477 /nfs/dbraw/zinc/38/34/77/186383477.db2.gz SJZUTYWUFDRAPO-NWANDNLSSA-N 1 0 260.381 2.500 10 0 CEAERO CC[C@H]1c2ccsc2CCN1C(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000111268975 186383598 /nfs/dbraw/zinc/38/35/98/186383598.db2.gz ITYNCPSPYPBACP-UHTWSYAYSA-N 1 0 278.421 2.439 10 0 CEAERO C[C@@H](c1ccccc1F)N(C)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000111268686 186384282 /nfs/dbraw/zinc/38/42/82/186384282.db2.gz DXFGCLXBKTVVKM-NTZNESFSSA-N 1 0 264.344 2.201 10 0 CEAERO [NH3+]Cc1ccc(C(=O)N2CCC[C@H]2C2CCCC2)nc1 ZINC000111282170 186388097 /nfs/dbraw/zinc/38/80/97/186388097.db2.gz QCCKZUXCISNSDU-HNNXBMFYSA-N 1 0 273.380 2.335 10 0 CEAERO CC[N@@H+]1CCC[C@H](Nc2ncnc(Cl)c2C)C1 ZINC000111297551 186391628 /nfs/dbraw/zinc/39/16/28/186391628.db2.gz ISYFQDHLCKDUMV-JTQLQIEISA-N 1 0 254.765 2.335 10 0 CEAERO CCCc1c(Cl)ncnc1NC[C@H]1CC[N@H+](C)C1 ZINC000111296633 186392121 /nfs/dbraw/zinc/39/21/21/186392121.db2.gz ZBZIJUDWOQKXSQ-SNVBAGLBSA-N 1 0 268.792 2.446 10 0 CEAERO Cc1nc(Cl)c(C)c(N[C@H]2CCC[N@@H+](C)C2)n1 ZINC000111296781 186392289 /nfs/dbraw/zinc/39/22/89/186392289.db2.gz HLLBFVZJFMFLEL-JTQLQIEISA-N 1 0 254.765 2.253 10 0 CEAERO Cc1nc(Cl)c(C)c(OC2CC[NH+](C)CC2)n1 ZINC000111294140 186392680 /nfs/dbraw/zinc/39/26/80/186392680.db2.gz SBILUBQWQZLFRB-UHFFFAOYSA-N 1 0 255.749 2.220 10 0 CEAERO COCCN(CC(C)C)c1ccc(CC[NH3+])cc1 ZINC000111483591 186422548 /nfs/dbraw/zinc/42/25/48/186422548.db2.gz PBBYVRMWLJFVRZ-UHFFFAOYSA-N 1 0 250.386 2.297 10 0 CEAERO Cc1nn(C)c(N(C)C2CCCCC2)c1C[C@H](C)[NH3+] ZINC000111488726 186423482 /nfs/dbraw/zinc/42/34/82/186423482.db2.gz HCOOEIQGSPJWSD-NSHDSACASA-N 1 0 264.417 2.387 10 0 CEAERO COc1ccc(N(C)c2c(C[C@@H](C)[NH3+])c(C)nn2C)cc1 ZINC000111505370 186424526 /nfs/dbraw/zinc/42/45/26/186424526.db2.gz JHGPRYMSAHIZKA-LLVKDONJSA-N 1 0 288.395 2.395 10 0 CEAERO [NH3+]CCc1c(-n2ccc(C(F)(F)F)n2)nc2ccccn21 ZINC000111514812 186426111 /nfs/dbraw/zinc/42/61/11/186426111.db2.gz PMZCZKNPWRLGNW-UHFFFAOYSA-N 1 0 295.268 2.040 10 0 CEAERO CCC[C@@]1(C(=O)NCC2(C)CCCC2)CC[NH2+]C1 ZINC000111622130 186432995 /nfs/dbraw/zinc/43/29/95/186432995.db2.gz VDTOUFRHCNIBQZ-OAHLLOKOSA-N 1 0 252.402 2.463 10 0 CEAERO C[C@@H]1CCC[C@H](C(=O)NCCOC2CCCCC2)[C@@H]1[NH3+] ZINC000111651209 186437738 /nfs/dbraw/zinc/43/77/38/186437738.db2.gz SUHFSYHZZSSPNR-VHDGCEQUSA-N 1 0 282.428 2.215 10 0 CEAERO Cn1c(Cl)cnc1CN1CCC[C@@H](C[NH2+]C2CC2)C1 ZINC000111699494 186446490 /nfs/dbraw/zinc/44/64/90/186446490.db2.gz ODEAQRADVIAUEE-NSHDSACASA-N 1 0 282.819 2.038 10 0 CEAERO CCc1noc(CN2CCCC[C@@H]2C[NH2+]C(C)(C)C)n1 ZINC000111703739 186447812 /nfs/dbraw/zinc/44/78/12/186447812.db2.gz CZSIDJXNIBDTRW-GFCCVEGCSA-N 1 0 280.416 2.375 10 0 CEAERO Cc1noc(C)c1CN1CCCC[C@H]1C[NH2+]C1CC1 ZINC000111703083 186448059 /nfs/dbraw/zinc/44/80/59/186448059.db2.gz IDWGFDMNXBWZNV-AWEZNQCLSA-N 1 0 263.385 2.398 10 0 CEAERO C[NH2+][C@@H](C)[C@@H]1CCCCN1CC(=O)Nc1ccccc1F ZINC000111710910 186449494 /nfs/dbraw/zinc/44/94/94/186449494.db2.gz GOVHTNWKODDYEB-WFASDCNBSA-N 1 0 293.386 2.227 10 0 CEAERO C[NH2+][C@@H](C)[C@@H]1CCCCN1CC(=O)NC1CCCCCC1 ZINC000111710453 186449665 /nfs/dbraw/zinc/44/96/65/186449665.db2.gz IELJEYNDXCMPAB-HOCLYGCPSA-N 1 0 295.471 2.288 10 0 CEAERO COc1cc(C)ccc1Oc1c(C(N)=[NH2+])c(C)nn1C ZINC000111358888 186405084 /nfs/dbraw/zinc/40/50/84/186405084.db2.gz ZHRKXWAPFCDAAX-UHFFFAOYSA-N 1 0 274.324 2.122 10 0 CEAERO CCC(CC)N(CC[NH3+])C(=O)c1ccc(OC)cc1 ZINC000111368487 186407645 /nfs/dbraw/zinc/40/76/45/186407645.db2.gz RNEMEMDGEBQSHF-UHFFFAOYSA-N 1 0 264.369 2.285 10 0 CEAERO CCS(=O)(=O)c1ccccc1N[C@H](C[NH3+])CC(C)C ZINC000111377076 186409317 /nfs/dbraw/zinc/40/93/17/186409317.db2.gz CLTAREFCOWRETF-LBPRGKRZSA-N 1 0 284.425 2.266 10 0 CEAERO Cc1cc2ncnn2c(Nc2cccc(C[NH3+])c2)c1 ZINC000111375356 186409573 /nfs/dbraw/zinc/40/95/73/186409573.db2.gz ZOFFPROGLDOTNM-UHFFFAOYSA-N 1 0 253.309 2.240 10 0 CEAERO CC(C)[C@@]1(C)CC(=O)N(C2(C[NH3+])CCCCC2)C1=O ZINC000111382434 186410315 /nfs/dbraw/zinc/41/03/15/186410315.db2.gz PTSLVWRYWMEESF-CQSZACIVSA-N 1 0 266.385 2.069 10 0 CEAERO CN1CC[C@H]([NH3+])[C@@H]1c1cc(Br)cs1 ZINC000069798778 363001722 /nfs/dbraw/zinc/00/17/22/363001722.db2.gz LXRMFIRUVJRACC-IONNQARKSA-N 1 0 261.188 2.215 10 0 CEAERO O[C@@H](C[NH2+]CC[C@H]1CC=CCC1)COCc1ccco1 ZINC000629597397 351427768 /nfs/dbraw/zinc/42/77/68/351427768.db2.gz JPNSVFVBQHZVDZ-GJZGRUSLSA-N 1 0 279.380 2.493 10 0 CEAERO C[C@H](NC(=O)CC[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000070307697 363068678 /nfs/dbraw/zinc/06/86/78/363068678.db2.gz YAGLMIZEBWNPNO-QWHCGFSZSA-N 1 0 252.402 2.461 10 0 CEAERO CCc1cc(N2CC[NH2+]CC2)nc(-c2ccc(OC)cc2)n1 ZINC000070451632 363083637 /nfs/dbraw/zinc/08/36/37/363083637.db2.gz SRNSACKTLZORTA-UHFFFAOYSA-N 1 0 298.390 2.124 10 0 CEAERO CC(C)c1nc(-c2ccncc2)cc(N2CC[C@H]([NH3+])C2)n1 ZINC000070455971 363084464 /nfs/dbraw/zinc/08/44/64/363084464.db2.gz QLKIJFKNRQBJQW-ZDUSSCGKSA-N 1 0 283.379 2.199 10 0 CEAERO CCc1sc(C(=O)N2C[C@H](OC)C[C@@]2(C)C[NH3+])cc1C ZINC000630357525 351710814 /nfs/dbraw/zinc/71/08/14/351710814.db2.gz DVVXWMFTKMMEQX-ABAIWWIYSA-N 1 0 296.436 2.197 10 0 CEAERO CO[C@H]1CN(CCOc2ccc(Cl)cc2)[C@](C)(C[NH3+])C1 ZINC000630359564 351711019 /nfs/dbraw/zinc/71/10/19/351711019.db2.gz GLOKWTGNDGRQOQ-CABCVRRESA-N 1 0 298.814 2.157 10 0 CEAERO CO[C@H]1CN(Cc2ccc(Cl)cc2F)[C@@](C)(C[NH3+])C1 ZINC000630362770 351712075 /nfs/dbraw/zinc/71/20/75/351712075.db2.gz BSBOZOWLZKGLOM-TZMCWYRMSA-N 1 0 286.778 2.417 10 0 CEAERO C[C@]12C[NH2+]C[C@@]1(C)CN(c1ncccc1Br)C2 ZINC000630539192 351777832 /nfs/dbraw/zinc/77/78/32/351777832.db2.gz XVEQDMZIZKFMRY-BETUJISGSA-N 1 0 296.212 2.280 10 0 CEAERO [NH3+][C@H]1CCCCCN(c2ncnc3c2CCCC3)C1 ZINC000630550401 351781315 /nfs/dbraw/zinc/78/13/15/351781315.db2.gz UKKMRLADUOUVPS-LBPRGKRZSA-N 1 0 260.385 2.063 10 0 CEAERO [NH3+][C@H]1CCCCCN(c2nc(C3CC3)ns2)C1 ZINC000630550186 351781519 /nfs/dbraw/zinc/78/15/19/351781519.db2.gz RXYXMTDSDAJCDA-JTQLQIEISA-N 1 0 252.387 2.123 10 0 CEAERO Cc1ccc(-c2cc(N3CC[C@@H]([NH3+])C3)n[nH]2)cc1C ZINC000070460213 363088344 /nfs/dbraw/zinc/08/83/44/363088344.db2.gz BZEYTAOKYQOKBW-CYBMUJFWSA-N 1 0 256.353 2.231 10 0 CEAERO Cc1nc(C)n(C[C@H]2CCC[N@@H+](Cc3cccn3C)C2)n1 ZINC000122027248 187011185 /nfs/dbraw/zinc/01/11/85/187011185.db2.gz JKVAXALGAUSPSV-HNNXBMFYSA-N 1 0 287.411 2.146 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]CCn2cc(C)cn2)c1C ZINC000124080178 187121464 /nfs/dbraw/zinc/12/14/64/187121464.db2.gz YGKBDNLRLAZQNR-LBPRGKRZSA-N 1 0 275.400 2.376 10 0 CEAERO CC[C@](C)(O)C[N@H+](C)CCOc1ccccc1F ZINC000123235392 187079881 /nfs/dbraw/zinc/07/98/81/187079881.db2.gz KNNRLMIDDKSTHQ-AWEZNQCLSA-N 1 0 255.333 2.297 10 0 CEAERO [NH3+][C@H]1CCC[C@H](C(=O)Nc2ccc3nccnc3c2)C1 ZINC000070575694 363097139 /nfs/dbraw/zinc/09/71/39/363097139.db2.gz LLTACJUQUWCSIC-QWRGUYRKSA-N 1 0 270.336 2.086 10 0 CEAERO CC[C@](C)(O)C[NH+]1CCN(c2cccs2)CC1 ZINC000123644212 187102123 /nfs/dbraw/zinc/10/21/23/187102123.db2.gz WIUKFKHEFZQKDS-ZDUSSCGKSA-N 1 0 254.399 2.031 10 0 CEAERO CCc1ncsc1C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1CC ZINC000123645524 187102432 /nfs/dbraw/zinc/10/24/32/187102432.db2.gz LBCXFYQUENCEKF-NWDGAFQWSA-N 1 0 293.436 2.404 10 0 CEAERO CCCC[C@H](C[NH3+])Nc1nccc(C(F)(F)F)n1 ZINC000130590785 187506052 /nfs/dbraw/zinc/50/60/52/187506052.db2.gz JTBTVWHIERITEJ-MRVPVSSYSA-N 1 0 262.279 2.425 10 0 CEAERO OC[C@@H]1C[N@H+](C[C@@H]2Cc3ccccc32)CCC1(F)F ZINC000291953082 198116362 /nfs/dbraw/zinc/11/63/62/198116362.db2.gz UPWXNEFKGBIKBN-STQMWFEESA-N 1 0 267.319 2.276 10 0 CEAERO CC(C)(C)OC(=O)N1C[C@H](C2CC2)[NH2+]C[C@@H]1C1CC1 ZINC000071372360 363108771 /nfs/dbraw/zinc/10/87/71/363108771.db2.gz LJTPAFSSEODCRE-CHWSQXEVSA-N 1 0 266.385 2.384 10 0 CEAERO Cc1c(C[NH2+]CC2(O)CCC(C)(C)CC2)cnn1C ZINC000093650346 539854129 /nfs/dbraw/zinc/85/41/29/539854129.db2.gz FQOGTWCPDYHHBY-UHFFFAOYSA-N 1 0 265.401 2.149 10 0 CEAERO CCCN(CC[NH+](CC)CC)C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000133460831 187687055 /nfs/dbraw/zinc/68/70/55/187687055.db2.gz CMORWKDXNCDSOT-CABCVRRESA-N 1 0 299.459 2.317 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@H]2CCCCC[C@@H]2C)C1 ZINC000252644878 539884161 /nfs/dbraw/zinc/88/41/61/539884161.db2.gz PLJFZNAXPVELAI-ZNMIVQPWSA-N 1 0 254.418 2.266 10 0 CEAERO C[C@@H]1COC[C@@H](C)[NH+]1CCC(=O)N(C)c1ccccc1 ZINC000135096232 187794320 /nfs/dbraw/zinc/79/43/20/187794320.db2.gz ROOPRTYXHPQMAS-ZIAGYGMSSA-N 1 0 276.380 2.149 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@H](C)Cc2ccccc2F)C1 ZINC000253367607 539935539 /nfs/dbraw/zinc/93/55/39/539935539.db2.gz VQLAQEGEVQSWEH-HIFRSBDPSA-N 1 0 280.387 2.067 10 0 CEAERO [NH3+][C@H]1CC[C@@H](C(=O)N2CCC[C@@H]3CCCC[C@@H]32)C1 ZINC000097093250 539947307 /nfs/dbraw/zinc/94/73/07/539947307.db2.gz YECYEVSEPRCYIL-CRWXNKLISA-N 1 0 250.386 2.295 10 0 CEAERO CCC1(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C)CCOCC1 ZINC000335798563 212545784 /nfs/dbraw/zinc/54/57/84/212545784.db2.gz JVLOOGKUMHAZCZ-CABCVRRESA-N 1 0 266.429 2.362 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000250808935 539968632 /nfs/dbraw/zinc/96/86/32/539968632.db2.gz JVNQQAIXQXFOII-XQLPTFJDSA-N 1 0 258.365 2.034 10 0 CEAERO Cc1csc([C@H](C)NC(=O)[C@H]2CCC[C@H]2C[NH3+])n1 ZINC000250875641 539969330 /nfs/dbraw/zinc/96/93/30/539969330.db2.gz PBSRXGFYYSOUHH-DCAQKATOSA-N 1 0 267.398 2.004 10 0 CEAERO C[C@@H]1CN(c2nc3ccc(N)cc3s2)C[C@H]1[NH+](C)C ZINC000251530250 539976676 /nfs/dbraw/zinc/97/66/76/539976676.db2.gz AHRPPIKEHIZQIO-BXKDBHETSA-N 1 0 276.409 2.265 10 0 CEAERO CCC[C@@H](C(=O)Nc1ccc(C(N)=O)c(Cl)c1)[NH+](C)C ZINC000156878796 188286243 /nfs/dbraw/zinc/28/62/43/188286243.db2.gz CJDZRXLUWWJKBX-LBPRGKRZSA-N 1 0 297.786 2.108 10 0 CEAERO COC(=O)[C@H]1CCC[N@H+](C[C@H]2Cc3ccccc32)C1 ZINC000157222209 188303921 /nfs/dbraw/zinc/30/39/21/188303921.db2.gz KBHWDSGCFNCRGE-UONOGXRCSA-N 1 0 259.349 2.211 10 0 CEAERO CCC[C@H](C(=O)NCc1nc(C2CC2)cs1)[NH+](C)C ZINC000157804669 188339332 /nfs/dbraw/zinc/33/93/32/188339332.db2.gz RRVIGIMPSAQDAA-GFCCVEGCSA-N 1 0 281.425 2.367 10 0 CEAERO O[C@@H]1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1C[C@@H]1CCCOC1 ZINC000337279116 366121615 /nfs/dbraw/zinc/12/16/15/366121615.db2.gz GLNBOGPNFAFTDT-XUWVNRHRSA-N 1 0 267.413 2.429 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)N(C)Cc2nccs2)[C@@H](C)C1 ZINC000132220242 366128136 /nfs/dbraw/zinc/12/81/36/366128136.db2.gz RMKNVTGGTAVQBK-RYUDHWBXSA-N 1 0 296.440 2.013 10 0 CEAERO CC[C@@](C)(O)C[N@H+](C)Cc1cc(Br)cn1C ZINC000161542266 188533634 /nfs/dbraw/zinc/53/36/34/188533634.db2.gz PCXJPXYIGWDQOG-GFCCVEGCSA-N 1 0 289.217 2.380 10 0 CEAERO COc1cc(C)ccc1CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161556312 188534828 /nfs/dbraw/zinc/53/48/28/188534828.db2.gz BYQHDVDHWAKBBS-OCCSQVGLSA-N 1 0 276.380 2.137 10 0 CEAERO CCc1ccc([C@@H](C)[NH2+]CC2(O)CCOCC2)cc1 ZINC000162320625 188569144 /nfs/dbraw/zinc/56/91/44/188569144.db2.gz FDTAXZSBWDCOIC-CYBMUJFWSA-N 1 0 263.381 2.441 10 0 CEAERO Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCc2ncnn2C1 ZINC000183217651 282995225 /nfs/dbraw/zinc/99/52/25/282995225.db2.gz IBASJMZUSBEKRK-HIFRSBDPSA-N 1 0 286.354 2.399 10 0 CEAERO Cc1nc(-c2ccco2)ccc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170868233 188700010 /nfs/dbraw/zinc/70/00/10/188700010.db2.gz SWODZQIHSQNFKZ-CYBMUJFWSA-N 1 0 299.374 2.426 10 0 CEAERO CC(C)(C)OC(=O)N1CC(c2cccnc2)=C[C@H]([NH3+])C1 ZINC000675078764 540119108 /nfs/dbraw/zinc/11/91/08/540119108.db2.gz SEEJRZBIFFREKU-ZDUSSCGKSA-N 1 0 275.352 2.043 10 0 CEAERO Cc1ncccc1C1=C[C@@H]([NH3+])CN(C(=O)OC(C)(C)C)C1 ZINC000675079478 540119519 /nfs/dbraw/zinc/11/95/19/540119519.db2.gz ZLDJGERJHIAYRD-CYBMUJFWSA-N 1 0 289.379 2.351 10 0 CEAERO C[C@H](C(=O)N[C@@H]1C[C@@H]2C[C@H](C[NH3+])C[C@@H]12)C(C)(C)C ZINC000675070963 540112982 /nfs/dbraw/zinc/11/29/82/540112982.db2.gz UYEUPNNBBZMTCD-KSSYENDESA-N 1 0 252.402 2.158 10 0 CEAERO CN(Cc1ccsc1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054306070 540207962 /nfs/dbraw/zinc/20/79/62/540207962.db2.gz UXCOAEMUQDNYSF-NSHDSACASA-N 1 0 252.383 2.096 10 0 CEAERO C[C@@H]1C[C@@H]1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000075977971 363503873 /nfs/dbraw/zinc/50/38/73/363503873.db2.gz HNUVTEPSXQHCQP-CJNGLKHVSA-N 1 0 287.407 2.490 10 0 CEAERO C[C@H]1C[C@@H]1NC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000076074381 363518401 /nfs/dbraw/zinc/51/84/01/363518401.db2.gz OMLQQEDXFNKJLQ-STQMWFEESA-N 1 0 297.468 2.056 10 0 CEAERO CCc1c(I)cc(OC)cc1C[NH3+] ZINC000575726805 366350450 /nfs/dbraw/zinc/35/04/50/366350450.db2.gz YBKOVXWBDQTJBN-UHFFFAOYSA-N 1 0 291.132 2.321 10 0 CEAERO CCCCOC[C@H](O)C[N@@H+]1CCOc2ccccc2C1 ZINC000227906882 538769333 /nfs/dbraw/zinc/76/93/33/538769333.db2.gz BYYPESQLCGUSHM-OAHLLOKOSA-N 1 0 279.380 2.059 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)o1 ZINC000079267362 363586453 /nfs/dbraw/zinc/58/64/53/363586453.db2.gz UZZPCZHOFAAIPX-STQMWFEESA-N 1 0 291.395 2.433 10 0 CEAERO C[C@]1(C(=O)NC2C3CC4CC(C3)CC2C4)CCC[NH2+]1 ZINC000079514974 538890837 /nfs/dbraw/zinc/89/08/37/538890837.db2.gz AQBDYUSUCNBNOC-ALBOGACASA-N 1 0 262.397 2.069 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)o1 ZINC000079267360 363587010 /nfs/dbraw/zinc/58/70/10/363587010.db2.gz UZZPCZHOFAAIPX-OLZOCXBDSA-N 1 0 291.395 2.433 10 0 CEAERO CC[N@H+](C)C[C@@H](O)CN[C@@H](C)c1ccc(C)c(F)c1 ZINC000388809289 540331800 /nfs/dbraw/zinc/33/18/00/540331800.db2.gz VBFQJFKOGJNXRG-JSGCOSHPSA-N 1 0 268.376 2.097 10 0 CEAERO [NH3+]CC1(c2nc(-c3ccc(Cl)cc3)no2)CCOCC1 ZINC000166098993 540331022 /nfs/dbraw/zinc/33/10/22/540331022.db2.gz IVCYKPXURQJZPT-UHFFFAOYSA-N 1 0 293.754 2.397 10 0 CEAERO COc1c(C)ccc(NC(=O)[C@@]2(C)CCC[NH2+]2)c1C ZINC000079512577 363611784 /nfs/dbraw/zinc/61/17/84/363611784.db2.gz JSQIKJMXKXZMDD-OAHLLOKOSA-N 1 0 262.353 2.393 10 0 CEAERO CCC[C@@H](C(=O)NCc1ccc(Cl)nc1)[NH+](C)C ZINC000136832845 366526843 /nfs/dbraw/zinc/52/68/43/366526843.db2.gz GEHKRHIDTRASJO-NSHDSACASA-N 1 0 269.776 2.082 10 0 CEAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000335739028 291183354 /nfs/dbraw/zinc/18/33/54/291183354.db2.gz AJRTWFXVDOBPEB-SFXRXQKFSA-N 1 0 278.318 2.364 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1c1ccc(OC(F)F)cn1 ZINC000262297531 283459745 /nfs/dbraw/zinc/45/97/45/283459745.db2.gz WYWPJQOHHGIDSK-VIFPVBQESA-N 1 0 257.284 2.001 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1c1cc(C(F)(F)F)ccn1 ZINC000090803833 283459910 /nfs/dbraw/zinc/45/99/10/283459910.db2.gz WKMCBCCJAMKFOD-JTQLQIEISA-N 1 0 259.275 2.418 10 0 CEAERO CCC[C@@H](C(=O)OCC)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000147824567 366578142 /nfs/dbraw/zinc/57/81/42/366578142.db2.gz CPEGBDNYIAXNTC-KBPBESRZSA-N 1 0 270.417 2.134 10 0 CEAERO C[C@H]1OCC[C@H]1[NH2+]CC(=O)Nc1cccc(Cl)c1 ZINC000149646727 366590615 /nfs/dbraw/zinc/59/06/15/366590615.db2.gz KVQKHBOJBQSBER-BXKDBHETSA-N 1 0 268.744 2.046 10 0 CEAERO [NH3+]C[C@H]1CCCN(c2ccc(Br)cn2)C1 ZINC000044532036 283506264 /nfs/dbraw/zinc/50/62/64/283506264.db2.gz OWZKGPLWPOMABP-SECBINFHSA-N 1 0 270.174 2.019 10 0 CEAERO c1ccc(NC[C@@H]2CCN(CC[NH+]3CCCCC3)C2)nc1 ZINC000151103548 366621308 /nfs/dbraw/zinc/62/13/08/366621308.db2.gz RNDJCPOKUDQKCH-INIZCTEOSA-N 1 0 288.439 2.301 10 0 CEAERO CCOCC[N@@H+]1CC[C@H](CNc2cccc(C)n2)C1 ZINC000151117162 366621879 /nfs/dbraw/zinc/62/18/79/366621879.db2.gz UGAQFHMFCQFOFT-CQSZACIVSA-N 1 0 263.385 2.160 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)NCc2ccc(F)cc2)[C@@H](C)C1 ZINC000150853708 366601108 /nfs/dbraw/zinc/60/11/08/366601108.db2.gz KAFVEBFXULEGJO-WFASDCNBSA-N 1 0 293.386 2.354 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc[nH]c1=S ZINC000177016153 189021384 /nfs/dbraw/zinc/02/13/84/189021384.db2.gz CHOZZXOBUOHDMI-LLVKDONJSA-N 1 0 279.409 2.300 10 0 CEAERO O[C@H](CN1CC[N@@H+]2CCCC[C@@H]2C1)c1ccccc1F ZINC000177766844 189068135 /nfs/dbraw/zinc/06/81/35/189068135.db2.gz OFXMXFHXCXUVOI-CZUORRHYSA-N 1 0 278.371 2.029 10 0 CEAERO CC[C@H](C(=O)N[C@H](C)COCc1ccccc1)[NH+](C)C ZINC000178567870 189127656 /nfs/dbraw/zinc/12/76/56/189127656.db2.gz ZYJIDDRFSDWUGL-UKRRQHHQSA-N 1 0 278.396 2.048 10 0 CEAERO CCC[C@H](C(=O)NCCc1ccccc1C)[NH+](C)C ZINC000179238297 189180204 /nfs/dbraw/zinc/18/02/04/189180204.db2.gz FNRWOUHQTLHXBS-OAHLLOKOSA-N 1 0 262.397 2.384 10 0 CEAERO O=C([C@H](c1ccccc1)C1CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179753156 189218145 /nfs/dbraw/zinc/21/81/45/189218145.db2.gz CYZISYGVWUWABM-IAGOWNOFSA-N 1 0 284.403 2.487 10 0 CEAERO CCn1cc(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)cn1 ZINC000180123188 189237975 /nfs/dbraw/zinc/23/79/75/189237975.db2.gz JYKWRFKXAHAUOW-HNNXBMFYSA-N 1 0 273.384 2.073 10 0 CEAERO Cc1ccc(C[N@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)c(C)c1 ZINC000180230742 189245181 /nfs/dbraw/zinc/24/51/81/189245181.db2.gz ZNIQFVYKLJVEMK-SJLPKXTDSA-N 1 0 288.435 2.456 10 0 CEAERO [NH3+][C@H]1CCC[C@@H](C(=O)N2CCc3ccc(F)cc32)C1 ZINC000226329832 283628152 /nfs/dbraw/zinc/62/81/52/283628152.db2.gz QVQRXHTZKDQZBC-YPMHNXCESA-N 1 0 262.328 2.232 10 0 CEAERO CCCCOc1cc(N)ccc1C(=O)OCC[NH+](C)C ZINC000001847177 361223824 /nfs/dbraw/zinc/22/38/24/361223824.db2.gz CVNZUXHXTUSZSR-UHFFFAOYSA-N 1 0 280.368 2.166 10 0 CEAERO CCCc1ccccc1OC[C@@H](O)C[NH2+]C(C)C ZINC000002001211 361224925 /nfs/dbraw/zinc/22/49/25/361224925.db2.gz JVHCMYZFGCOCTD-AWEZNQCLSA-N 1 0 251.370 2.377 10 0 in-vitro CEAERO C[NH+](C)CCNc1c2c([nH+]c3ccc(C(=O)[O-])cc31)CCC2 ZINC000004226647 361306766 /nfs/dbraw/zinc/30/67/66/361306766.db2.gz RMZSGMURLBOPGN-UHFFFAOYSA-N 1 0 299.374 2.395 10 0 CEAERO OC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000153728829 366737693 /nfs/dbraw/zinc/73/76/93/366737693.db2.gz ATBGBLLVQFXOTO-WCQYABFASA-N 1 0 294.361 2.154 10 0 CEAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CS(C)(=O)=O)cc1C ZINC000081902522 363747466 /nfs/dbraw/zinc/74/74/66/363747466.db2.gz UPAQBRVESXLUQA-QWHCGFSZSA-N 1 0 269.410 2.387 10 0 CEAERO CC(=O)NC[C@@H]1C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]2[N@H+](C)C1 ZINC000005196949 361331879 /nfs/dbraw/zinc/33/18/79/361331879.db2.gz SGZVEWGAZGOWGP-XGWLTEMNSA-N 1 0 297.402 2.264 10 0 in-man CEAERO Cc1ccccc1NS(=O)(=O)c1ccc(CC[NH3+])cc1 ZINC000011849322 361366210 /nfs/dbraw/zinc/36/62/10/361366210.db2.gz SSVGEBIASQEUKR-UHFFFAOYSA-N 1 0 290.388 2.297 10 0 CEAERO O[C@H](Cc1ccccc1)C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000154686233 366785951 /nfs/dbraw/zinc/78/59/51/366785951.db2.gz SNQMGVCZJQNXQZ-AEFFLSMTSA-N 1 0 298.386 2.138 10 0 CEAERO C[C@H]1CC[C@@H](C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)O1 ZINC000155078585 366806558 /nfs/dbraw/zinc/80/65/58/366806558.db2.gz XSPBIZSLOITKGX-GRAKBVBRSA-N 1 0 294.439 2.277 10 0 CEAERO Cc1cccc(C(=O)N(C)C[C@H]2CC[N@H+](C)C2)c1F ZINC000155346735 366817150 /nfs/dbraw/zinc/81/71/50/366817150.db2.gz SMHZVBWJRSHGLT-LBPRGKRZSA-N 1 0 264.344 2.158 10 0 CEAERO COc1ccc(-c2nc(N)sc2C[NH+](C)C)cc1 ZINC000026442857 361639582 /nfs/dbraw/zinc/63/95/82/361639582.db2.gz AOWMQSSOYPFVLN-UHFFFAOYSA-N 1 0 263.366 2.463 10 0 CEAERO CCOc1cccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000027932470 361662732 /nfs/dbraw/zinc/66/27/32/361662732.db2.gz GVFKIXALQKQEMM-AWEZNQCLSA-N 1 0 274.364 2.006 10 0 CEAERO CC(C)N(C(=O)CSC(N)=[NH2+])c1ccccc1 ZINC000029334290 361683784 /nfs/dbraw/zinc/68/37/84/361683784.db2.gz CNSMUDKALGBJCR-UHFFFAOYSA-N 1 0 251.355 2.055 10 0 CEAERO O[C@@H](C[N@@H+]1CCc2ccccc2C1)c1cccnc1 ZINC000032108300 361727380 /nfs/dbraw/zinc/72/73/80/361727380.db2.gz OBBABXWNDQZQAT-INIZCTEOSA-N 1 0 254.333 2.173 10 0 CEAERO CCOc1ccc(OC[C@@H](O)C[NH2+]CC(C)C)cc1 ZINC000032115333 361728076 /nfs/dbraw/zinc/72/80/76/361728076.db2.gz MRTHERSMMBUUMC-ZDUSSCGKSA-N 1 0 267.369 2.071 10 0 CEAERO OC1CC(C[NH2+]Cc2ccc(F)cc2Br)C1 ZINC000084449221 363811049 /nfs/dbraw/zinc/81/10/49/363811049.db2.gz GLAWOFSSHYUXRW-UHFFFAOYSA-N 1 0 288.160 2.449 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H]2CCCC[C@@H]2C2CC2)C1 ZINC000679576143 541293113 /nfs/dbraw/zinc/29/31/13/541293113.db2.gz GHNIEKLKRBDMDB-BZUAXINKSA-N 1 0 266.429 2.266 10 0 CEAERO Cc1nc(C[N@@H+]2CCC[C@@H]2CCCO)sc1C ZINC000088538079 363906619 /nfs/dbraw/zinc/90/66/19/363906619.db2.gz WEPSEYFAFSSBBW-GFCCVEGCSA-N 1 0 254.399 2.497 10 0 CEAERO CCN1CCC[C@H]([NH2+]Cc2ccc(COC)cc2)C1 ZINC000088568095 363907777 /nfs/dbraw/zinc/90/77/77/363907777.db2.gz RIIDKUZGDJUCGS-INIZCTEOSA-N 1 0 262.397 2.407 10 0 CEAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000089151265 363938217 /nfs/dbraw/zinc/93/82/17/363938217.db2.gz CWRVCGQEFJQSLM-HOCLYGCPSA-N 1 0 271.364 2.123 10 0 CEAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000089161491 363940904 /nfs/dbraw/zinc/94/09/04/363940904.db2.gz OVIVMDDCTFPTCC-FZMZJTMJSA-N 1 0 289.404 2.456 10 0 CEAERO C[C@H]1CN(C(=O)c2cc3ccccc3[nH]2)C[C@H]1[NH+](C)C ZINC000089710189 363994349 /nfs/dbraw/zinc/99/43/49/363994349.db2.gz WZAWNBKJPCPXQP-XHDPSFHLSA-N 1 0 271.364 2.190 10 0 CEAERO Cc1noc([C@@H]2CC[C@H](C[NH2+][C@@H](C)C3CCC3)O2)n1 ZINC000329996082 202575820 /nfs/dbraw/zinc/57/58/20/202575820.db2.gz OGRHCOJMFYQPRG-BIMULSAOSA-N 1 0 265.357 2.376 10 0 CEAERO Cc1cc(C)n2c(CN3CC[N@@H+]4CCCC[C@@H]4C3)cnc2n1 ZINC000092616104 364088127 /nfs/dbraw/zinc/08/81/27/364088127.db2.gz MKHGANCGFCLSKJ-OAHLLOKOSA-N 1 0 299.422 2.016 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)c1cncc(Cl)n1 ZINC000092665284 364095816 /nfs/dbraw/zinc/09/58/16/364095816.db2.gz YNQPKROBPPWVSS-SNVBAGLBSA-N 1 0 254.765 2.051 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NC[C@H]1CCCC12CC2 ZINC000638794892 370756226 /nfs/dbraw/zinc/75/62/26/370756226.db2.gz HSCVUNXZELHRGL-YNEHKIRRSA-N 1 0 250.386 2.058 10 0 CEAERO [NH3+][C@H]1CCC[C@@H](C(=O)Nc2cccc(OCCF)c2)C1 ZINC000237911260 370759083 /nfs/dbraw/zinc/75/90/83/370759083.db2.gz DGRSYCJHEBHZAQ-NEPJUHHUSA-N 1 0 280.343 2.491 10 0 CEAERO CCOc1nc2ccccc2nc1N(C)C[C@@H]1CC[NH2+]C1 ZINC000095069676 364329773 /nfs/dbraw/zinc/32/97/73/364329773.db2.gz DYIFHOQVWATTOM-GFCCVEGCSA-N 1 0 286.379 2.074 10 0 CEAERO Cc1cc(Cl)nc(OCC[C@@H]2CCC[NH2+]C2)n1 ZINC000095068956 364329823 /nfs/dbraw/zinc/32/98/23/364329823.db2.gz MYCWDLDOGUNXKL-JTQLQIEISA-N 1 0 255.749 2.207 10 0 CEAERO CN(CC1CC[NH2+]CC1)c1cccc(Br)n1 ZINC000095071309 364330842 /nfs/dbraw/zinc/33/08/42/364330842.db2.gz CBADGAPSHSQCMC-UHFFFAOYSA-N 1 0 284.201 2.280 10 0 CEAERO Cc1cc(N(C)C[C@H]2CCCC[NH2+]2)nc(Cl)n1 ZINC000095070781 364331552 /nfs/dbraw/zinc/33/15/52/364331552.db2.gz RSFVLEKUBHPSOJ-SNVBAGLBSA-N 1 0 254.765 2.017 10 0 CEAERO O=C(COCC[C@@H]1CCCC[NH2+]1)c1cccs1 ZINC000095072915 364332407 /nfs/dbraw/zinc/33/24/07/364332407.db2.gz PZMNWSCUHLIOQA-NSHDSACASA-N 1 0 253.367 2.480 10 0 CEAERO O=C(COCCC[C@H]1CCC[NH2+]C1)c1nccs1 ZINC000095072964 364333055 /nfs/dbraw/zinc/33/30/55/364333055.db2.gz FDHXEPYDRCNPBI-LLVKDONJSA-N 1 0 268.382 2.122 10 0 CEAERO C[N@@H+]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000095075617 364333393 /nfs/dbraw/zinc/33/33/93/364333393.db2.gz QFHCSVBPEWJHQC-UHFFFAOYSA-N 1 0 254.374 2.339 10 0 CEAERO C[NH2+][C@@H](CCO)[C@H]1CCCCN1Cc1ccccc1 ZINC000095075706 364333454 /nfs/dbraw/zinc/33/34/54/364333454.db2.gz ABIPJBCGWZQDKB-JKSUJKDBSA-N 1 0 262.397 2.012 10 0 CEAERO COc1ncccc1C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000097119733 364458043 /nfs/dbraw/zinc/45/80/43/364458043.db2.gz ANQNTSBCTFQBHP-HNNXBMFYSA-N 1 0 299.374 2.123 10 0 CEAERO C[NH+](C)[C@@H]1CCN(Cc2ncc(Br)s2)C1 ZINC000335148313 364543267 /nfs/dbraw/zinc/54/32/67/364543267.db2.gz SVTQQXVFJJTOLP-MRVPVSSYSA-N 1 0 290.230 2.042 10 0 CEAERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1ccc(Br)cn1 ZINC000335657962 212375396 /nfs/dbraw/zinc/37/53/96/212375396.db2.gz QJZMXJYHYHNZIT-SCZZXKLOSA-N 1 0 270.174 2.254 10 0 CEAERO COC[C@H](C)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000103430664 364652408 /nfs/dbraw/zinc/65/24/08/364652408.db2.gz PPTAHGLEJSBRFK-KBPBESRZSA-N 1 0 270.417 2.040 10 0 CEAERO COCCCCCNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106912676 364708508 /nfs/dbraw/zinc/70/85/08/364708508.db2.gz RKWKPFPAPIBWRC-INIZCTEOSA-N 1 0 292.423 2.092 10 0 CEAERO CCn1c(C)cc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1C ZINC000113229152 364878099 /nfs/dbraw/zinc/87/80/99/364878099.db2.gz NVXKUSUEBVBILB-ZFWWWQNUSA-N 1 0 289.423 2.434 10 0 CEAERO Cc1ncccc1CN1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000335729313 364896650 /nfs/dbraw/zinc/89/66/50/364896650.db2.gz BTNOFHSCEDMOKW-CJNGLKHVSA-N 1 0 259.397 2.449 10 0 CEAERO Cc1ccc(CCC(=O)N[C@@H]2CCC[NH2+][C@H]2C)c(C)c1 ZINC000193608519 189646488 /nfs/dbraw/zinc/64/64/88/189646488.db2.gz RYXDMAHQMDUVAO-GOEBONIOSA-N 1 0 274.408 2.493 10 0 CEAERO Cc1ccc(C)c(SCC(=O)N2CCC[C@H]([NH3+])C2)c1 ZINC000195106248 189672457 /nfs/dbraw/zinc/67/24/57/189672457.db2.gz SESVLLCWQJYHJZ-ZDUSSCGKSA-N 1 0 278.421 2.345 10 0 CEAERO C[C@H]1C[C@@H]1NC(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000115674945 365022429 /nfs/dbraw/zinc/02/24/29/365022429.db2.gz ZVDORPXRMAGSPY-SHWKFHJASA-N 1 0 279.428 2.301 10 0 CEAERO C[NH+](C)C[C@@H]1CN(C(=O)NCCCCC(C)(C)C)CCO1 ZINC000117045760 365088843 /nfs/dbraw/zinc/08/88/43/365088843.db2.gz DWYDWPHJFVEQCH-CQSZACIVSA-N 1 0 299.459 2.175 10 0 CEAERO CCOCC[N@@H+]1CCN(c2nc(C)cc(C)n2)C[C@@H]1CC ZINC000116871382 365076168 /nfs/dbraw/zinc/07/61/68/365076168.db2.gz BGPDYCRGQYIPKK-HNNXBMFYSA-N 1 0 292.427 2.031 10 0 CEAERO CC(=O)N[C@H]1CCC[N@@H+](C[C@H](C)c2ccccc2)C1 ZINC000116877547 365078178 /nfs/dbraw/zinc/07/81/78/365078178.db2.gz NFAQVBLVXAXWPX-BBRMVZONSA-N 1 0 260.381 2.391 10 0 CEAERO CCc1ccc(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000118791086 365179394 /nfs/dbraw/zinc/17/93/94/365179394.db2.gz UXAOSVGRGWKVRL-HNNXBMFYSA-N 1 0 291.395 2.043 10 0 CEAERO Cc1cccc(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1C ZINC000118786986 365179672 /nfs/dbraw/zinc/17/96/72/365179672.db2.gz FJUVIKFBSTUINE-AWEZNQCLSA-N 1 0 291.395 2.098 10 0 CEAERO CCSCC[NH+]1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000119137149 365222161 /nfs/dbraw/zinc/22/21/61/365222161.db2.gz CTHMIJYQPACAKJ-MRXNPFEDSA-N 1 0 294.464 2.091 10 0 CEAERO Cc1c[nH+]ccc1NCCNC(=O)c1cncc(Cl)c1 ZINC000244723600 370796019 /nfs/dbraw/zinc/79/60/19/370796019.db2.gz MEHJWUXTWYDEQK-UHFFFAOYSA-N 1 0 290.754 2.280 10 0 CEAERO CCc1ccc([C@@H](COC)[NH2+]C[C@@](C)(O)CC)o1 ZINC000119088047 365214414 /nfs/dbraw/zinc/21/44/14/365214414.db2.gz OOJLYGCIGQNBER-OCCSQVGLSA-N 1 0 255.358 2.280 10 0 CEAERO Cc1cnn(C[C@H]2C[N@H+](CCC3CCCC3)CCO2)c1 ZINC000119266067 365243262 /nfs/dbraw/zinc/24/32/62/365243262.db2.gz VDMIRRLGOJWIHB-MRXNPFEDSA-N 1 0 277.412 2.473 10 0 CEAERO COC(=O)c1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)s1 ZINC000119181303 365230978 /nfs/dbraw/zinc/23/09/78/365230978.db2.gz BCRICAXUAJYTIB-VXGBXAGGSA-N 1 0 294.420 2.203 10 0 CEAERO Fc1cc(F)cc(CN2CCC[C@H](n3cncn3)C2)c1 ZINC000119479848 365279777 /nfs/dbraw/zinc/27/97/77/365279777.db2.gz HHDRRELUUVHYBZ-AWEZNQCLSA-N 1 0 278.306 2.393 10 0 CEAERO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)cc1 ZINC000119503901 365282426 /nfs/dbraw/zinc/28/24/26/365282426.db2.gz VLHXERHHPBYNFZ-MRXNPFEDSA-N 1 0 299.378 2.074 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)NCc1ccc(C)cc1OCC ZINC000119507474 365284068 /nfs/dbraw/zinc/28/40/68/365284068.db2.gz XEFULMIPLFZTSD-CYBMUJFWSA-N 1 0 264.369 2.137 10 0 CEAERO CCC[C@H](C(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](CC)C1)C(C)C ZINC000119663998 365308081 /nfs/dbraw/zinc/30/80/81/365308081.db2.gz MRSWATSCGDYUDM-OAGGEKHMSA-N 1 0 298.471 2.362 10 0 CEAERO Cc1ncc(C[NH2+]C[C@@H]2CCc3nccn3C2)s1 ZINC000275685048 193105839 /nfs/dbraw/zinc/10/58/39/193105839.db2.gz WNHRDLMHHGYJCM-NSHDSACASA-N 1 0 262.382 2.000 10 0 CEAERO CC[C@@H]1CN(Cc2cccs2)CC[N@@H+]1C[C@@H](C)O ZINC000120701071 365463093 /nfs/dbraw/zinc/46/30/93/365463093.db2.gz VXQRFPHWPVAYGI-CHWSQXEVSA-N 1 0 268.426 2.025 10 0 CEAERO CCc1nccn1[C@H]1CCC[N@H+](CC[C@@H]2CCOC2=O)C1 ZINC000120496368 365432182 /nfs/dbraw/zinc/43/21/82/365432182.db2.gz BVPZUJRGNDWSCA-KGLIPLIRSA-N 1 0 291.395 2.036 10 0 CEAERO CCCN(CC[NH+](CC)CC)C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000120797367 365477328 /nfs/dbraw/zinc/47/73/28/365477328.db2.gz OUVYUMPXPQWVAX-KGLIPLIRSA-N 1 0 270.417 2.134 10 0 CEAERO CC[C@H](O)CN1CC[NH+](C[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000245547112 370836327 /nfs/dbraw/zinc/83/63/27/370836327.db2.gz XBRGQGWDERNABH-OAGGEKHMSA-N 1 0 268.445 2.201 10 0 CEAERO C[C@H]1CN(C(=O)c2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC000638884282 370818693 /nfs/dbraw/zinc/81/86/93/370818693.db2.gz GVGXHNYPPGSYKS-ONGXEEELSA-N 1 0 252.745 2.007 10 0 CEAERO 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ZAHIKXIKQWOBFN-SNVBAGLBSA-N 1 0 282.775 2.326 10 0 CEAERO CNC(=O)[C@H]([NH2+]CCSc1ccccc1F)C(C)C ZINC000183677969 542293692 /nfs/dbraw/zinc/29/36/92/542293692.db2.gz HSBIKWSFUBFCNK-CYBMUJFWSA-N 1 0 284.400 2.278 10 0 CEAERO CC1CCC(N(C)C(=O)[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000042488191 184554242 /nfs/dbraw/zinc/55/42/42/184554242.db2.gz SXHODZQCKULQPR-QPPOZKHWSA-N 1 0 252.402 2.412 10 0 CEAERO Cc1cc([C@H]2[C@@H](C[NH2+]C3CC3)OCCN2C)c(C)s1 ZINC000070287595 184571442 /nfs/dbraw/zinc/57/14/42/184571442.db2.gz BYZZXDCKHXTRRV-CABCVRRESA-N 1 0 280.437 2.489 10 0 CEAERO CCC1(C(=O)N2CCc3ccccc3CC2)CC[NH2+]CC1 ZINC000079572496 184593345 /nfs/dbraw/zinc/59/33/45/184593345.db2.gz MXRGARXCOAQKHB-UHFFFAOYSA-N 1 0 286.419 2.394 10 0 CEAERO CCN(C[C@H](CO)[NH2+]C(C)C)c1cccc(C)c1 ZINC000085241345 184608797 /nfs/dbraw/zinc/60/87/97/184608797.db2.gz ZQRLGFGNWUGQEY-CQSZACIVSA-N 1 0 250.386 2.180 10 0 CEAERO [NH3+]CC1(OCc2ccc3ncccc3c2)CCOCC1 ZINC000086713877 184610369 /nfs/dbraw/zinc/61/03/69/184610369.db2.gz HKPIUZTVHQUWJW-UHFFFAOYSA-N 1 0 272.348 2.259 10 0 CEAERO C[NH2+]Cc1cc(S(=O)(=O)N2CCCC[C@@H]2C)cs1 ZINC000088907036 184613534 /nfs/dbraw/zinc/61/35/34/184613534.db2.gz PYJLYEQZONEUQC-JTQLQIEISA-N 1 0 288.438 2.031 10 0 CEAERO CCCCN(C)S(=O)(=O)Cc1ccc(C[NH2+]CC)cc1 ZINC000088915387 184614721 /nfs/dbraw/zinc/61/47/21/184614721.db2.gz RPFUEAWELQQZAA-UHFFFAOYSA-N 1 0 298.452 2.358 10 0 CEAERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1Nc1cc(C(F)(F)F)ccn1 ZINC000090804139 184617419 /nfs/dbraw/zinc/61/74/19/184617419.db2.gz OMAGTKKMSOSXJP-NGZCFLSTSA-N 1 0 275.274 2.017 10 0 CEAERO C([NH2+]C1CC1)[C@H]1CC[C@H](COCC2CCCC2)O1 ZINC000090812104 184617922 /nfs/dbraw/zinc/61/79/22/184617922.db2.gz RCFDAXQGPNXIHW-HUUCEWRRSA-N 1 0 253.386 2.493 10 0 CEAERO CCC[NH2+]C[C@](C)(O)COc1cccc2cccnc21 ZINC000090823585 184618340 /nfs/dbraw/zinc/61/83/40/184618340.db2.gz AKYLFZVYEVDKBW-INIZCTEOSA-N 1 0 274.364 2.364 10 0 CEAERO CC/C(=C\c1cc(OC)c2c(c1)OCCO2)C[NH2+]C ZINC000092725616 184624040 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/nfs/dbraw/zinc/65/46/01/184654601.db2.gz LKBFJNVMXFKGFI-UHFFFAOYSA-N 1 0 270.380 2.063 10 0 CEAERO [NH3+][C@H]1CC[C@@H](Nc2ccc(OCC(F)(F)F)nc2)C1 ZINC000093206056 184654973 /nfs/dbraw/zinc/65/49/73/184654973.db2.gz OMJMPPNJIIPDHI-DTWKUNHWSA-N 1 0 275.274 2.314 10 0 CEAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]([NH2+]C2CCOCC2)C1 ZINC000093205900 184655438 /nfs/dbraw/zinc/65/54/38/184655438.db2.gz SHSSNXCZAGHABZ-QWHCGFSZSA-N 1 0 284.400 2.201 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](Nc2cc(Cl)ccc2-n2cncn2)C1 ZINC000093206140 184655439 /nfs/dbraw/zinc/65/54/39/184655439.db2.gz XNVAKBCDXSXZER-GHMZBOCLSA-N 1 0 277.759 2.212 10 0 CEAERO CS(=O)(=O)CCC[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000093151264 184652345 /nfs/dbraw/zinc/65/23/45/184652345.db2.gz VPKBIQVBXRZJDT-NSHDSACASA-N 1 0 275.801 2.207 10 0 CEAERO CC[NH2+]C[C@H](Cc1ncnn1C)c1cccc(Cl)c1 ZINC000093165474 184653066 /nfs/dbraw/zinc/65/30/66/184653066.db2.gz HYZUTLGONUQBHB-LBPRGKRZSA-N 1 0 278.787 2.404 10 0 CEAERO CC(C)[C@H](C[NH3+])C(=O)N(C)[C@H](C)Cc1cccs1 ZINC000093289243 184660664 /nfs/dbraw/zinc/66/06/64/184660664.db2.gz IEQNICTWHXXWBW-YPMHNXCESA-N 1 0 268.426 2.368 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N(C)CCc1cccs1 ZINC000093289805 184660689 /nfs/dbraw/zinc/66/06/89/184660689.db2.gz BOWHUWGBQSTCJM-LLVKDONJSA-N 1 0 254.399 2.124 10 0 CEAERO CCNC(=O)c1cccc(N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000093211531 184656130 /nfs/dbraw/zinc/65/61/30/184656130.db2.gz PWBCOZCIYKKWGE-JSGCOSHPSA-N 1 0 261.369 2.118 10 0 CEAERO [NH3+]CCOCc1nc2cccc(Cl)c2n1C1CC1 ZINC000093228602 184657097 /nfs/dbraw/zinc/65/70/97/184657097.db2.gz IKJIILZJRXJFGH-UHFFFAOYSA-N 1 0 265.744 2.500 10 0 CEAERO CCc1ccc([C@H](C)NC[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000289345230 197304937 /nfs/dbraw/zinc/30/49/37/197304937.db2.gz JXQCRCLSWQFZKE-GUYCJALGSA-N 1 0 276.424 2.355 10 0 CEAERO COCCn1cc(N[C@@H](C)C[C@@H]2CCCCC[NH2+]2)cn1 ZINC000093515367 184686273 /nfs/dbraw/zinc/68/62/73/184686273.db2.gz DICCTPCGQOVGCL-KBPBESRZSA-N 1 0 280.416 2.252 10 0 CEAERO COc1ccc2c(c1)[C@]1(CNC(=[NH2+])N1C(C)C)CCC2 ZINC000093374340 184668278 /nfs/dbraw/zinc/66/82/78/184668278.db2.gz FHPUYPBLQBFJMU-MRXNPFEDSA-N 1 0 273.380 2.266 10 0 CEAERO COc1ccc(N2C(=[NH2+])NC[C@@H]2Cc2ccccc2)cc1 ZINC000093376546 184668723 /nfs/dbraw/zinc/66/87/23/184668723.db2.gz WHRLGIQLNFIFEG-HNNXBMFYSA-N 1 0 281.359 2.441 10 0 CEAERO COCCN1C(N)=[NH+]C[C@]12CCCC[C@H]2C(C)(C)C ZINC000093380470 184669136 /nfs/dbraw/zinc/66/91/36/184669136.db2.gz FXGQKMFCQHJJIZ-WFASDCNBSA-N 1 0 267.417 2.238 10 0 CEAERO [NH2+]=C1NC[C@@H](c2cccc(O)c2)N1c1ccccc1F ZINC000093390532 184670532 /nfs/dbraw/zinc/67/05/32/184670532.db2.gz PATJPIYSXWAWCM-AWEZNQCLSA-N 1 0 271.295 2.407 10 0 CEAERO NC(=O)c1c(F)cccc1OC[C@H]1CCCC[C@@H]1C[NH3+] ZINC000093410673 184671737 /nfs/dbraw/zinc/67/17/37/184671737.db2.gz GMHDYFZALCTWEU-GHMZBOCLSA-N 1 0 280.343 2.069 10 0 CEAERO NC(=O)c1c(F)cccc1Nc1cccc(OCC[NH3+])c1 ZINC000093409469 184671924 /nfs/dbraw/zinc/67/19/24/184671924.db2.gz RBTIDGHPPZOICS-UHFFFAOYSA-N 1 0 289.310 2.006 10 0 CEAERO [NH3+]CC1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000093424787 184673198 /nfs/dbraw/zinc/67/31/98/184673198.db2.gz AGJKXLDMIOXINK-UHFFFAOYSA-N 1 0 276.336 2.119 10 0 CEAERO CCCn1cc(N[C@H](C)C[C@@H]2CCC[NH2+]2)ccc1=O ZINC000093465096 184678832 /nfs/dbraw/zinc/67/88/32/184678832.db2.gz FCAGPYSXUHMBNS-OLZOCXBDSA-N 1 0 263.385 2.201 10 0 CEAERO COC[C@@H]1C[N@H+](C)C[C@@]12CCN(Cc1ccc(F)cc1)C2 ZINC000503719120 285298805 /nfs/dbraw/zinc/29/88/05/285298805.db2.gz YKSHZSBFCPEVME-DOTOQJQBSA-N 1 0 292.398 2.226 10 0 CEAERO CCC[NH2+][C@@H]1CCCCCC[C@@H]1S(=O)(=O)CCOC ZINC000081943811 177906215 /nfs/dbraw/zinc/90/62/15/177906215.db2.gz ICZJEFCAAWIJLZ-KGLIPLIRSA-N 1 0 291.457 2.139 10 0 CEAERO CCC[NH2+][C@H]1CCCCCC[C@H]1S(=O)(=O)CCOC ZINC000081943818 177905930 /nfs/dbraw/zinc/90/59/30/177905930.db2.gz ICZJEFCAAWIJLZ-UONOGXRCSA-N 1 0 291.457 2.139 10 0 CEAERO CCC[NH2+][C@H](C)CCS(=O)(=O)c1ccccc1F ZINC000081923108 177896260 /nfs/dbraw/zinc/89/62/60/177896260.db2.gz MIMMEHQLBZGVJX-LLVKDONJSA-N 1 0 273.373 2.378 10 0 CEAERO CCC[C@@H]([NH3+])[C@H](CC)Sc1ncnc2[nH]cnc21 ZINC000081876576 177871085 /nfs/dbraw/zinc/87/10/85/177871085.db2.gz CULXOIUINJJJQX-BDAKNGLRSA-N 1 0 265.386 2.351 10 0 CEAERO C[NH2+][C@H]1CCCC[C@H]1Sc1nnc(N(C)C)s1 ZINC000081769174 177856812 /nfs/dbraw/zinc/85/68/12/177856812.db2.gz ANQSDKRNTCMNNC-DTWKUNHWSA-N 1 0 272.443 2.227 10 0 CEAERO CC[C@H](Sc1nncn1C)[C@H]([NH3+])c1ccccc1 ZINC000081867290 177866997 /nfs/dbraw/zinc/86/69/97/177866997.db2.gz AQKHFAPQLKJURP-NWDGAFQWSA-N 1 0 262.382 2.386 10 0 CEAERO CC[NH2+][C@@H](c1ccccc1)[C@@H](C)Sc1nnnn1C ZINC000081843603 177865921 /nfs/dbraw/zinc/86/59/21/177865921.db2.gz IBMSFVDVJGXMRG-ZYHUDNBSSA-N 1 0 277.397 2.042 10 0 CEAERO CCOC(=O)CS[C@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+] ZINC000081794962 177862048 /nfs/dbraw/zinc/86/20/48/177862048.db2.gz XAEHIRZRKLJYDN-WOPDTQHZSA-N 1 0 259.415 2.435 10 0 CEAERO C[C@H](NC(=O)CC1C[NH2+]C1)c1ccccc1OC(F)F ZINC000081748387 177853060 /nfs/dbraw/zinc/85/30/60/177853060.db2.gz BTADIURDAOCCOC-VIFPVBQESA-N 1 0 284.306 2.075 10 0 CEAERO CC[NH2+]C[C@@H]1CCCN1c1nccc(C(F)(F)F)n1 ZINC000081587688 177825871 /nfs/dbraw/zinc/82/58/71/177825871.db2.gz MVZLIXXPALULAW-VIFPVBQESA-N 1 0 274.290 2.074 10 0 CEAERO CCCN(CCC[NH3+])c1nccc(C(F)(F)F)n1 ZINC000081586126 177824984 /nfs/dbraw/zinc/82/49/84/177824984.db2.gz MNGYUIJMCAZPKM-UHFFFAOYSA-N 1 0 262.279 2.061 10 0 CEAERO [NH3+]CCN(Cc1ccccc1)c1nccc(C(F)(F)F)n1 ZINC000081586177 177825083 /nfs/dbraw/zinc/82/50/83/177825083.db2.gz YLDVNKWYPYGYOI-UHFFFAOYSA-N 1 0 296.296 2.461 10 0 CEAERO c1ccc(NC[C@@H]2CO[C@H]3C[N@@H+](C4CCCC4)C[C@@H]23)nc1 ZINC000253595470 256689258 /nfs/dbraw/zinc/68/92/58/256689258.db2.gz DYINQGNQFIRBAU-KBMXLJTQSA-N 1 0 287.407 2.383 10 0 CEAERO C[NH2+][C@@H](C)Cc1nc(Cc2ccc(F)cc2F)no1 ZINC000080986014 177744401 /nfs/dbraw/zinc/74/44/01/177744401.db2.gz BKIMSLWCOMFPQI-QMMMGPOBSA-N 1 0 267.279 2.089 10 0 CEAERO CCC[C@H](COC)[NH2+]C[C@H](C(=O)OC)c1ccccc1 ZINC000080960447 177741088 /nfs/dbraw/zinc/74/10/88/177741088.db2.gz XILGFHHSPKRDJN-CABCVRRESA-N 1 0 279.380 2.348 10 0 CEAERO C[C@@H]1CCC[C@]([NH3+])(C(=O)NCCOc2ccccc2)C1 ZINC000080929220 177732571 /nfs/dbraw/zinc/73/25/71/177732571.db2.gz IVPHWQGSDAAYNX-CZUORRHYSA-N 1 0 276.380 2.089 10 0 CEAERO NC(=[NH2+])[C@H](CSc1cnccn1)c1ccccc1 ZINC000080795618 177707899 /nfs/dbraw/zinc/70/78/99/177707899.db2.gz UISHCRJRWKBRGV-LLVKDONJSA-N 1 0 258.350 2.288 10 0 CEAERO CC(C)N(CC(N)=[NH2+])C(=O)Nc1ccc(F)cc1 ZINC000080223638 177628041 /nfs/dbraw/zinc/62/80/41/177628041.db2.gz DTBDZGRBFSIDQU-UHFFFAOYSA-N 1 0 252.293 2.004 10 0 CEAERO CCCOC[C@H]([NH2+]CC)C1(N2CCOCC2)CCCC1 ZINC000093550410 184688834 /nfs/dbraw/zinc/68/88/34/184688834.db2.gz IYWLYHDGFIYCAI-HNNXBMFYSA-N 1 0 284.444 2.036 10 0 CEAERO CCC[NH2+][C@@H](COC)Cc1ccc(OC)c(OC)c1 ZINC000093539752 184689292 /nfs/dbraw/zinc/68/92/92/184689292.db2.gz HBDZPLATHKLHNN-CYBMUJFWSA-N 1 0 267.369 2.261 10 0 CEAERO CCC[NH2+][C@@]1(CO)CCC[C@@H]1CCn1ccc(C)n1 ZINC000093619082 184696706 /nfs/dbraw/zinc/69/67/06/184696706.db2.gz HFTOQPDHMBIMHW-HUUCEWRRSA-N 1 0 265.401 2.112 10 0 CEAERO CCCOCCOCC[C@H]1CCC[C@@]1(CO)[NH2+]C(C)C ZINC000093619450 184697200 /nfs/dbraw/zinc/69/72/00/184697200.db2.gz HDOJVTCIYNFHIO-CVEARBPZSA-N 1 0 287.444 2.349 10 0 CEAERO C[NH2+][C@@]1(CO)CCC[C@@H]1CCOCC1CCCC1 ZINC000093621976 184697606 /nfs/dbraw/zinc/69/76/06/184697606.db2.gz LIYNLKTUBWRIRR-HUUCEWRRSA-N 1 0 255.402 2.334 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1CCS(=O)(=O)c1ccc(F)c(F)c1 ZINC000093623331 184697703 /nfs/dbraw/zinc/69/77/03/184697703.db2.gz SZQQPXKAHPNZCA-ZANVPECISA-N 1 0 289.347 2.256 10 0 CEAERO CCc1ccc(OCC[C@H]2CCC[C@@]2([NH2+]C)C(N)=O)cc1 ZINC000093624538 184697897 /nfs/dbraw/zinc/69/78/97/184697897.db2.gz ZTZPEGQPXZDNPY-PBHICJAKSA-N 1 0 290.407 2.262 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1CCS(=O)(=O)c1ccc(F)c(F)c1 ZINC000093623334 184697918 /nfs/dbraw/zinc/69/79/18/184697918.db2.gz SZQQPXKAHPNZCA-NOZJJQNGSA-N 1 0 289.347 2.256 10 0 CEAERO Cc1c([C@H]2OCC[C@H]2C[NH2+]CC(C)C)cnn1C ZINC000093653191 184702976 /nfs/dbraw/zinc/70/29/76/184702976.db2.gz MVRFROXNKBIXAK-JSGCOSHPSA-N 1 0 251.374 2.052 10 0 CEAERO CCn1nc(C[C@H]([NH2+]C)[C@H](C)OC)c2ccccc21 ZINC000093690447 184707046 /nfs/dbraw/zinc/70/70/46/184707046.db2.gz WLSMBLVYPZGWEU-AAEUAGOBSA-N 1 0 261.369 2.222 10 0 CEAERO C[NH2+][C@@H](CC[C@H]1CCCN(S(C)(=O)=O)C1)C(C)(C)C ZINC000093697956 184707450 /nfs/dbraw/zinc/70/74/50/184707450.db2.gz RUCBSNQAUGJZIY-OLZOCXBDSA-N 1 0 290.473 2.072 10 0 CEAERO Cc1ccccc1[C@@H]([NH3+])C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093699858 184707830 /nfs/dbraw/zinc/70/78/30/184707830.db2.gz JKIUGQAOHVPKSI-ZFWWWQNUSA-N 1 0 296.436 2.057 10 0 CEAERO CC(C)[NH2+][C@]1(CO)CCC[C@@H](N(C)CC(F)(F)F)C1 ZINC000093782701 184720913 /nfs/dbraw/zinc/72/09/13/184720913.db2.gz UCBNEGWCFZOPEA-VXGBXAGGSA-N 1 0 282.350 2.152 10 0 CEAERO Cc1nnc(S[C@H]2CCC[C@](CO)([NH2+]C3CC3)C2)s1 ZINC000093786904 184722069 /nfs/dbraw/zinc/72/20/69/184722069.db2.gz YLUSHJALZGXBOO-AAEUAGOBSA-N 1 0 299.465 2.364 10 0 CEAERO CCOc1ccccc1O[C@@H]1CCC[C@@](CO)([NH2+]C)C1 ZINC000093785293 184722086 /nfs/dbraw/zinc/72/20/86/184722086.db2.gz ORHADYKPJLVJOK-CZUORRHYSA-N 1 0 279.380 2.357 10 0 CEAERO CC[NH2+][C@H](c1ccc(OC)cc1)[C@@H]1CN(C(C)C)CCO1 ZINC000093927944 184744779 /nfs/dbraw/zinc/74/47/79/184744779.db2.gz XBHTUNRBMKKPDN-DLBZAZTESA-N 1 0 292.423 2.455 10 0 CEAERO CC1(C)C([NH3+])C(C)(C)C1NC(=O)c1ccc2c[nH]nc2c1 ZINC000094006139 184748937 /nfs/dbraw/zinc/74/89/37/184748937.db2.gz GCAOXCCZAGPVIK-UHFFFAOYSA-N 1 0 286.379 2.055 10 0 CEAERO C[NH2+][C@@H](Cc1nc2ccccc2n1C)Cc1ccncc1 ZINC000094171105 184759033 /nfs/dbraw/zinc/75/90/33/184759033.db2.gz OISXCPQISJGSSJ-CQSZACIVSA-N 1 0 280.375 2.342 10 0 CEAERO CC[C@](C)([C@@H](O)Cc1nc2ccccc2n1C)[NH+](C)C ZINC000094170501 184759135 /nfs/dbraw/zinc/75/91/35/184759135.db2.gz UMEZYNBSBYIAGY-GOEBONIOSA-N 1 0 275.396 2.207 10 0 CEAERO CC[C@H]([NH3+])Cc1ccc(OCc2ncnn2C(C)C)cn1 ZINC000094216319 184764154 /nfs/dbraw/zinc/76/41/54/184764154.db2.gz SIRCFZZIEBRCER-LBPRGKRZSA-N 1 0 289.383 2.113 10 0 CEAERO CC[C@@](C)([NH3+])C(=O)NCc1cccc(NC(=O)C(C)C)c1 ZINC000094236836 184767516 /nfs/dbraw/zinc/76/75/16/184767516.db2.gz WJMDYHYWDWPRCK-MRXNPFEDSA-N 1 0 291.395 2.025 10 0 CEAERO Cc1cc(=O)[nH]c(S[C@@H]2CCCC(C)(C)[C@@H]2[NH3+])n1 ZINC000094283549 184775442 /nfs/dbraw/zinc/77/54/42/184775442.db2.gz KBGNHYYMUQRSEN-MWLCHTKSSA-N 1 0 267.398 2.076 10 0 CEAERO CC[NH2+][C@@H]1[C@@H](N2C[C@@H](C)O[C@@H](C)C2)CCC1(C)C ZINC000094303601 184777894 /nfs/dbraw/zinc/77/78/94/184777894.db2.gz BOZSECJKMUJOET-RFQIPJPRSA-N 1 0 254.418 2.262 10 0 CEAERO CC1(C)CC[C@@H](S(=O)(=O)c2ccc(F)cc2F)[C@@H]1[NH3+] ZINC000094311194 184778692 /nfs/dbraw/zinc/77/86/92/184778692.db2.gz HFCGMOAYIXJJAA-NEPJUHHUSA-N 1 0 289.347 2.254 10 0 CEAERO CC1(C)CC[C@@H](C[N@@H+]2CCCC[C@@H]2CCO)C1=O ZINC000094315172 184779338 /nfs/dbraw/zinc/77/93/38/184779338.db2.gz CAJVJDQBMZCYDP-QWHCGFSZSA-N 1 0 253.386 2.229 10 0 CEAERO OC[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000094374567 184790580 /nfs/dbraw/zinc/79/05/80/184790580.db2.gz BMKDRQNVOYEGPF-SOUVJXGZSA-N 1 0 299.480 2.429 10 0 CEAERO C[C@H](CCO)C[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000094374697 184791067 /nfs/dbraw/zinc/79/10/67/184791067.db2.gz WFNHMIVAEPMBGL-CHWSQXEVSA-N 1 0 273.442 2.039 10 0 CEAERO CC[C@](C)([C@@H](O)[C@@H]1CCOC2(CCC2)C1)[NH+](C)C ZINC000094396805 184793339 /nfs/dbraw/zinc/79/33/39/184793339.db2.gz KDWYXIJSKMDVHH-HZSPNIEDSA-N 1 0 255.402 2.427 10 0 CEAERO CC1CC[NH+](C[C@@H]2C(=O)C(C)(C)OC2(C)C)CC1 ZINC000094428536 184796177 /nfs/dbraw/zinc/79/61/77/184796177.db2.gz MNNLLIRKEVLGPI-GFCCVEGCSA-N 1 0 253.386 2.491 10 0 CEAERO COc1cc(C[NH3+])ccc1Oc1ccc2nccnc2n1 ZINC000094726886 184848427 /nfs/dbraw/zinc/84/84/27/184848427.db2.gz CARCUJQJZMYKNG-UHFFFAOYSA-N 1 0 282.303 2.284 10 0 CEAERO CCC[NH2+]Cc1ccc(CO[C@@H](C)COC)nc1 ZINC000094761732 184854922 /nfs/dbraw/zinc/85/49/22/184854922.db2.gz QYWVEBODUROBGL-LBPRGKRZSA-N 1 0 252.358 2.133 10 0 CEAERO C[C@]1(C(=O)N[C@H]2CC[NH2+]C3(CCCCC3)C2)CCCO1 ZINC000094790139 184864688 /nfs/dbraw/zinc/86/46/88/184864688.db2.gz PAUMTALAEZBOFP-DZGCQCFKSA-N 1 0 280.412 2.127 10 0 CEAERO CC[NH2+][C@@H](c1ccc2c(c1)oc(=O)n2C)[C@]1(C)CCCO1 ZINC000094788731 184864899 /nfs/dbraw/zinc/86/48/99/184864899.db2.gz BCXVUWNQFOMSQL-HOCLYGCPSA-N 1 0 290.363 2.351 10 0 CEAERO CC[NH2+][C@H](c1ccc(Cl)cc1F)[C@H]1CN(C)CCO1 ZINC000094822096 184874555 /nfs/dbraw/zinc/87/45/55/184874555.db2.gz ZFLFFGPGGUYBAP-ZIAGYGMSSA-N 1 0 286.778 2.460 10 0 CEAERO CCCNc1snnc1CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000094465220 184805706 /nfs/dbraw/zinc/80/57/06/184805706.db2.gz FNNPZFCYYKTFJI-RYUDHWBXSA-N 1 0 295.456 2.029 10 0 CEAERO CC(C)C[C@H](C[NH2+][C@H]1CS[C@@H](C)C1)N1CCOCC1 ZINC000094470961 184807208 /nfs/dbraw/zinc/80/72/08/184807208.db2.gz UMYHEPKVYUSLCE-RRFJBIMHSA-N 1 0 286.485 2.217 10 0 CEAERO C[NH2+][C@@H](Cc1ccccc1F)[C@H]1CSCCO1 ZINC000094503220 184811307 /nfs/dbraw/zinc/81/13/07/184811307.db2.gz NCWIZGXCVJBRHB-QWHCGFSZSA-N 1 0 255.358 2.088 10 0 CEAERO CC[NH2+][C@@H](Cc1ccc(OC)c(F)c1)[C@@H]1CSCCO1 ZINC000094503489 184811805 /nfs/dbraw/zinc/81/18/05/184811805.db2.gz GUMBMVKDMWHYBS-ZFWWWQNUSA-N 1 0 299.411 2.487 10 0 CEAERO C[C@@H]1C[C@H]([NH3+])CN(Cc2ccn(C3CCCC3)n2)C1 ZINC000094550843 184816417 /nfs/dbraw/zinc/81/64/17/184816417.db2.gz DJIQZBGHUYLABR-OLZOCXBDSA-N 1 0 262.401 2.167 10 0 CEAERO CCSc1ccccc1NC(=O)[C@H]1CC[C@@H](C[NH3+])O1 ZINC000094567522 184819788 /nfs/dbraw/zinc/81/97/88/184819788.db2.gz OFVSQLIZWHGKTG-CMPLNLGQSA-N 1 0 280.393 2.243 10 0 CEAERO CCCN(c1nc2ccccn2n1)C1CCC([NH3+])CC1 ZINC000094602293 184823714 /nfs/dbraw/zinc/82/37/14/184823714.db2.gz UBIQABAKWVDFAS-UHFFFAOYSA-N 1 0 273.384 2.216 10 0 CEAERO CC[NH2+][C@@]1(CO)CCC[C@@H](Sc2ccncc2)C1 ZINC000094616418 184826598 /nfs/dbraw/zinc/82/65/98/184826598.db2.gz PLRFBDQKAPXUCM-KGLIPLIRSA-N 1 0 266.410 2.457 10 0 CEAERO CS(=O)(=O)[C@@H]1CCC[C@H](OCC2([NH3+])CCCCC2)C1 ZINC000094637991 184831680 /nfs/dbraw/zinc/83/16/80/184831680.db2.gz KBTWGTDCBXZBIZ-QWHCGFSZSA-N 1 0 289.441 2.020 10 0 CEAERO C[C@H]1[NH2+]CC[C@H]1c1nc(-c2ccc(Cl)cn2)no1 ZINC000094842373 184878916 /nfs/dbraw/zinc/87/89/16/184878916.db2.gz OEDFBXPGBCMXPF-VXNVDRBHSA-N 1 0 264.716 2.250 10 0 CEAERO C[C@@H](O)[C@@](C[NH3+])(Cc1cccc(O)c1)c1ccccc1 ZINC000094691242 184840822 /nfs/dbraw/zinc/84/08/22/184840822.db2.gz OBHWOVLUICXSQG-DYVFJYSZSA-N 1 0 271.360 2.212 10 0 CEAERO CC(C)C[C@@H](C[NH3+])C(=O)N(C)CCOc1cccc(F)c1 ZINC000094698755 184842615 /nfs/dbraw/zinc/84/26/15/184842615.db2.gz YEKTYXJFNFTUFC-ZDUSSCGKSA-N 1 0 296.386 2.284 10 0 CEAERO CCc1ccccc1CNC(=O)[C@@H](C[NH3+])CC(C)C ZINC000094700658 184842634 /nfs/dbraw/zinc/84/26/34/184842634.db2.gz WHTDGAUFMVRIFU-OAHLLOKOSA-N 1 0 262.397 2.486 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](c2nc(-c3ccc(Cl)cn3)no2)C1 ZINC000094842318 184879093 /nfs/dbraw/zinc/87/90/93/184879093.db2.gz XPDKBJKSTUDTEZ-VXNVDRBHSA-N 1 0 262.700 2.156 10 0 CEAERO CCCN1CCO[C@@H]([C@@H](Cc2nc(C)c(C)s2)[NH2+]C)C1 ZINC000094974598 184909653 /nfs/dbraw/zinc/90/96/53/184909653.db2.gz WVWHHKMKRWVFLG-ZIAGYGMSSA-N 1 0 297.468 2.001 10 0 CEAERO COc1ncccc1COCC[C@@H]1CCCC[NH2+]1 ZINC000095008944 184914418 /nfs/dbraw/zinc/91/44/18/184914418.db2.gz LMLPZEBQEUCBAX-ZDUSSCGKSA-N 1 0 250.342 2.139 10 0 CEAERO C[NH+](C)CCSCC(=O)Nc1cc(N)ccc1Cl ZINC000095020065 184916052 /nfs/dbraw/zinc/91/60/52/184916052.db2.gz KIXGCSBNFGEGAN-UHFFFAOYSA-N 1 0 287.816 2.156 10 0 CEAERO CCCN(CCC[NH3+])C(=O)Cc1ccc(F)cc1F ZINC000095066019 184929476 /nfs/dbraw/zinc/92/94/76/184929476.db2.gz QJFQTDDEYAWKPT-UHFFFAOYSA-N 1 0 270.323 2.095 10 0 CEAERO CSc1nc(Cl)cc(NC[C@@H]2CCC[NH2+]C2)n1 ZINC000095071773 184933636 /nfs/dbraw/zinc/93/36/36/184933636.db2.gz CPEPCNRNSIYMLO-MRVPVSSYSA-N 1 0 272.805 2.263 10 0 CEAERO COc1ccc(F)c(NC(=O)[C@H]2C[NH2+]C[C@H](C)C2)c1 ZINC000094855672 184881600 /nfs/dbraw/zinc/88/16/00/184881600.db2.gz OILVEALWDNSLTK-NXEZZACHSA-N 1 0 266.316 2.018 10 0 CEAERO [NH3+]CCN(Cc1ccccc1)c1ncnc2c1CCCC2 ZINC000094871669 184884263 /nfs/dbraw/zinc/88/42/63/184884263.db2.gz GARHBGPTVSSPLP-UHFFFAOYSA-N 1 0 282.391 2.321 10 0 CEAERO CC(C)CC1(C(=O)N2C[C@H]3C[NH2+]C[C@@H]3C2)CCCC1 ZINC000094906207 184891061 /nfs/dbraw/zinc/89/10/61/184891061.db2.gz WDRPMIZYVLFRHQ-ZIAGYGMSSA-N 1 0 264.413 2.271 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N(CC)Cc1cccc(C)n1 ZINC000094914502 184891985 /nfs/dbraw/zinc/89/19/85/184891985.db2.gz QRXGGJGFBLTMHO-ZDUSSCGKSA-N 1 0 263.385 2.127 10 0 CEAERO CCN(Cc1ccccn1)[C@H](C)C[NH2+]C[C@@H]1CCCO1 ZINC000094927703 184895085 /nfs/dbraw/zinc/89/50/85/184895085.db2.gz SRJHLIYLYINRDB-ZBFHGGJFSA-N 1 0 277.412 2.061 10 0 CEAERO CCOc1cccc([C@H]([NH3+])[C@@H]2CSCCO2)c1 ZINC000094933406 184896667 /nfs/dbraw/zinc/89/66/67/184896667.db2.gz IXBBDZVCQIKKCK-STQMWFEESA-N 1 0 253.367 2.217 10 0 CEAERO COC(=O)[C@H](C)[C@H](C)[NH2+]CCc1ccc(F)cc1C ZINC000094954405 184902336 /nfs/dbraw/zinc/90/23/36/184902336.db2.gz HWGSTGLXTHUGKS-NEPJUHHUSA-N 1 0 267.344 2.464 10 0 CEAERO Cc1csc(CN2CCC[C@H]2C[NH2+]C(C)C)n1 ZINC000094967429 184907025 /nfs/dbraw/zinc/90/70/25/184907025.db2.gz JIULBUUSDCZFNS-LBPRGKRZSA-N 1 0 253.415 2.414 10 0 CEAERO C[C@H]1CC(C[NH2+]Cc2cccc(C(N)=O)c2)C[C@H](C)O1 ZINC000282389458 195595598 /nfs/dbraw/zinc/59/55/98/195595598.db2.gz XVLQZZRWOZYGQY-RYUDHWBXSA-N 1 0 276.380 2.079 10 0 CEAERO O[C@]12CCCC[C@H]1C[N@H+](C[C@H]1CCC=CO1)CC2 ZINC000248881247 285379059 /nfs/dbraw/zinc/37/90/59/285379059.db2.gz KUGJRTDEBIYEDI-ZNMIVQPWSA-N 1 0 251.370 2.306 10 0 CEAERO C[C@@H]([NH2+]CCF)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400411022 533391879 /nfs/dbraw/zinc/39/18/79/533391879.db2.gz UBVVECKQICCCQT-MNOVXSKESA-N 1 0 260.353 2.191 10 0 CEAERO C[C@@H](NC[C@@H](O)C[NH+]1CCCCC1)c1cc(F)cc(F)c1 ZINC000151301945 533413860 /nfs/dbraw/zinc/41/38/60/533413860.db2.gz ZKNMZHAUMRCGCO-MLGOLLRUSA-N 1 0 298.377 2.462 10 0 CEAERO C[C@@H](Nc1cccc(N2CCCC2=O)c1)[C@H]1CC[NH2+]C1 ZINC000400335206 533559484 /nfs/dbraw/zinc/55/94/84/533559484.db2.gz FBYCDAFQIGFZFI-OLZOCXBDSA-N 1 0 273.380 2.223 10 0 CEAERO C[C@H](NC(=O)[C@@H](C)C1C[NH2+]C1)c1ccc(Cl)cc1 ZINC000164418113 130308680 /nfs/dbraw/zinc/30/86/80/130308680.db2.gz BYQZWOUREXKWAW-UWVGGRQHSA-N 1 0 266.772 2.373 10 0 CEAERO CCNC(=O)c1ccc(Cl)cc1NC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000192001257 130347739 /nfs/dbraw/zinc/34/77/39/130347739.db2.gz QHNHFAAOTZPPPT-DTWKUNHWSA-N 1 0 297.786 2.012 10 0 CEAERO Cc1cc(NC(=O)[C@@H]([NH3+])C(C)C)nn1-c1ccc(C)cc1 ZINC000236793565 130975698 /nfs/dbraw/zinc/97/56/98/130975698.db2.gz INCHVJWHENJMRT-HNNXBMFYSA-N 1 0 286.379 2.411 10 0 CEAERO CCC[C@@](C)([NH3+])C(=O)NCc1ccc(OC(C)(C)C)nc1 ZINC000262145238 131194013 /nfs/dbraw/zinc/19/40/13/131194013.db2.gz QDDHCKLKKFOQJL-MRXNPFEDSA-N 1 0 293.411 2.393 10 0 CEAERO CCC[C@@](C)([NH3+])C(=O)N[C@H](CCOC)c1ccc(C)o1 ZINC000262167524 131196796 /nfs/dbraw/zinc/19/67/96/131196796.db2.gz WLDXLQUGJQPUMP-IUODEOHRSA-N 1 0 282.384 2.299 10 0 CEAERO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](C)[C@@H](OC)c1ccccc1F ZINC000262175923 131197744 /nfs/dbraw/zinc/19/77/44/131197744.db2.gz YKBPZCBVNUMASI-IDTSFGKNSA-N 1 0 296.386 2.391 10 0 CEAERO NC(=[NH2+])C1CCN(c2cccc(C(F)(F)F)n2)CC1 ZINC000079843261 134492907 /nfs/dbraw/zinc/49/29/07/134492907.db2.gz SHXAFQVTTPFIKU-UHFFFAOYSA-N 1 0 272.274 2.253 10 0 CEAERO COc1ccccc1-c1ccc(N2CCC[C@@H]([NH3+])C2)nn1 ZINC000070458491 134949252 /nfs/dbraw/zinc/94/92/52/134949252.db2.gz CQIYJXKFHCZOKA-GFCCVEGCSA-N 1 0 284.363 2.080 10 0 CEAERO [NH3+][C@H]1CCCN(c2nccn3nc(-c4cccs4)cc23)C1 ZINC000070459304 134949583 /nfs/dbraw/zinc/94/95/83/134949583.db2.gz VKRPHJUYNHERKE-NSHDSACASA-N 1 0 299.403 2.385 10 0 CEAERO C[C@@H](C[NH2+]C1CC1)CN1c2ccccc2O[C@H](C)C1=O ZINC000070527114 134952377 /nfs/dbraw/zinc/95/23/77/134952377.db2.gz ZZPNTVVNGDILRQ-NWDGAFQWSA-N 1 0 274.364 2.189 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C)CN1c1cc(OC)ccc1OC ZINC000083479457 135023766 /nfs/dbraw/zinc/02/37/66/135023766.db2.gz BLCZAIXOOVHKHA-VXGBXAGGSA-N 1 0 264.369 2.281 10 0 CEAERO CC(C)[NH2+][C@H](CO)CN1c2ccccc2CC[C@@H]1C ZINC000085215644 135035512 /nfs/dbraw/zinc/03/55/12/135035512.db2.gz XJLQTRPLSWJVNH-ZFWWWQNUSA-N 1 0 262.397 2.187 10 0 CEAERO C[C@@H]1CCC[C@@]1(C[NH3+])N1CCN(c2ccc(F)cc2)CC1 ZINC000086676384 135048477 /nfs/dbraw/zinc/04/84/77/135048477.db2.gz TZJHAZKQNNNIDU-PBHICJAKSA-N 1 0 291.414 2.465 10 0 CEAERO C[C@H]([NH3+])CCC[C@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000087683753 135051015 /nfs/dbraw/zinc/05/10/15/135051015.db2.gz PCRHNFJAZIZVCG-RYUDHWBXSA-N 1 0 289.379 2.125 10 0 CEAERO CC[C@@H](C[NH3+])CN1CCN(c2ccccc2Cl)CC1 ZINC000087535340 135051022 /nfs/dbraw/zinc/05/10/22/135051022.db2.gz ADZYQQSVFUOILL-ZDUSSCGKSA-N 1 0 281.831 2.447 10 0 CEAERO [NH3+]CCC1(CN2c3ccc(F)cc3CCC2=O)CC1 ZINC000088249582 135053610 /nfs/dbraw/zinc/05/36/10/135053610.db2.gz GPEDUEYPLWIDHM-UHFFFAOYSA-N 1 0 262.328 2.234 10 0 CEAERO C[NH2+]CCCCS(=O)(=O)N1c2ccccc2CC[C@@H]1C ZINC000088914981 135057700 /nfs/dbraw/zinc/05/77/00/135057700.db2.gz LXPTZSKONGQUOZ-ZDUSSCGKSA-N 1 0 296.436 2.157 10 0 CEAERO CCC[NH2+]CCS(=O)(=O)N1CCCc2cc(C)ccc21 ZINC000088928771 135057701 /nfs/dbraw/zinc/05/77/01/135057701.db2.gz SADBCMPPJVAKCI-UHFFFAOYSA-N 1 0 296.436 2.077 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCCc2ccccc21 ZINC000089449796 135059246 /nfs/dbraw/zinc/05/92/46/135059246.db2.gz DXMRVUPYRQBWQX-UONOGXRCSA-N 1 0 258.365 2.341 10 0 CEAERO C[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1nccs1 ZINC000089732676 135060549 /nfs/dbraw/zinc/06/05/49/135060549.db2.gz KBUWNVHKSSUXBF-NEPJUHHUSA-N 1 0 289.408 2.253 10 0 CEAERO c1cnnc(N2CCC[C@@H]([NH2+]C(C3CC3)C3CC3)C2)c1 ZINC000089733354 135060585 /nfs/dbraw/zinc/06/05/85/135060585.db2.gz HQDIHXRJJBKFDJ-CQSZACIVSA-N 1 0 272.396 2.224 10 0 CEAERO Cc1cccc(N2CCN([C@H]3C[NH2+]CC[C@@H]3C)CC2)c1C ZINC000090695462 135064037 /nfs/dbraw/zinc/06/40/37/135064037.db2.gz OUIJXKCYSUKWTA-YJBOKZPZSA-N 1 0 287.451 2.423 10 0 CEAERO CC[NH2+]C[C@H]1CCCN(c2cc(OC(C)C)ncn2)C1 ZINC000090786382 135064842 /nfs/dbraw/zinc/06/48/42/135064842.db2.gz SWYFQLULFXJAKM-CYBMUJFWSA-N 1 0 278.400 2.090 10 0 CEAERO [NH3+][C@H]1Cc2ccccc2N(C[C@@H]2Cc3ccccc3O2)C1 ZINC000090876276 135066016 /nfs/dbraw/zinc/06/60/16/135066016.db2.gz FTIASBMYFNNALU-HOTGVXAUSA-N 1 0 280.371 2.380 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(c2ccc(N)c(OC(C)(C)C)n2)C1 ZINC000091394952 135068823 /nfs/dbraw/zinc/06/88/23/135068823.db2.gz PYLZDXHEHVQOEA-GFCCVEGCSA-N 1 0 292.427 2.372 10 0 CEAERO CC[C@H]1CO[C@@H](C)CN1c1cncc(C[NH2+]CC(C)C)n1 ZINC000091420720 135069566 /nfs/dbraw/zinc/06/95/66/135069566.db2.gz ZEXMBUWWJLHCHX-ZFWWWQNUSA-N 1 0 292.427 2.226 10 0 CEAERO CSC1(C[NH3+])CCN(c2ncccc2C)CC1 ZINC000091472579 135070368 /nfs/dbraw/zinc/07/03/68/135070368.db2.gz FVFSOEOFCVFAKB-UHFFFAOYSA-N 1 0 251.399 2.051 10 0 CEAERO CSC1(C[NH3+])CCN(c2cc(C(C)C)ncn2)CC1 ZINC000091471103 135070688 /nfs/dbraw/zinc/07/06/88/135070688.db2.gz APWPZLFANFEOQN-UHFFFAOYSA-N 1 0 280.441 2.261 10 0 CEAERO CNc1cc[nH+]c(CN2CCN(c3ccccc3)CC2)c1 ZINC000092418015 135076348 /nfs/dbraw/zinc/07/63/48/135076348.db2.gz AXJSYCQPCHGXBZ-UHFFFAOYSA-N 1 0 282.391 2.446 10 0 CEAERO Nc1cc[nH+]c(CN2C(=O)CCc3cc(F)ccc32)c1 ZINC000092419674 135076388 /nfs/dbraw/zinc/07/63/88/135076388.db2.gz JCPNYHPLTWBICC-UHFFFAOYSA-N 1 0 271.295 2.282 10 0 CEAERO Cc1cccc2c1N(C(=O)[C@@H]1CC[NH2+][C@@H]1C)CCC2 ZINC000092956029 135077678 /nfs/dbraw/zinc/07/76/78/135077678.db2.gz BCKOCMLAVJHARI-TZMCWYRMSA-N 1 0 258.365 2.272 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H](Nc2ccc(N3CCOCC3)cc2)C1 ZINC000093210407 135079763 /nfs/dbraw/zinc/07/97/63/135079763.db2.gz XKZSHOPMMDWLLH-UKRRQHHQSA-N 1 0 275.396 2.205 10 0 CEAERO COc1cc(OC)cc(N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000094432046 135087097 /nfs/dbraw/zinc/08/70/97/135087097.db2.gz DQSODWYDKWZBIK-CYBMUJFWSA-N 1 0 276.380 2.378 10 0 CEAERO C[C@H](O)CN1CC[N@H+](CCCC2CCCC2)C[C@@H]1C ZINC000246306516 394513458 /nfs/dbraw/zinc/51/34/58/394513458.db2.gz VUUIZSBLSJRCNL-GJZGRUSLSA-N 1 0 268.445 2.344 10 0 CEAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1cn(C)nn1 ZINC000226665426 394471649 /nfs/dbraw/zinc/47/16/49/394471649.db2.gz UDNDBLJAROHVSE-XBFCOCLRSA-N 1 0 250.390 2.366 10 0 CEAERO CC[N@H+](C)[C@@H]1CCN(c2ncnc3c(C)cccc32)C1 ZINC000302777699 394476822 /nfs/dbraw/zinc/47/68/22/394476822.db2.gz PMBRMKLLIJHVKK-CYBMUJFWSA-N 1 0 270.380 2.469 10 0 CEAERO C[C@]1(CN2CC[N@@H+]3CCCC[C@H]3C2)CCCS1 ZINC000250789011 394565020 /nfs/dbraw/zinc/56/50/20/394565020.db2.gz HOETYGAWPIQZIU-UONOGXRCSA-N 1 0 254.443 2.442 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCCC[C@H]2C)C1 ZINC000246835419 394522552 /nfs/dbraw/zinc/52/25/52/394522552.db2.gz DXSWKKUAFRZSJG-MGPQQGTHSA-N 1 0 267.417 2.299 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000048768876 394528365 /nfs/dbraw/zinc/52/83/65/394528365.db2.gz IOMXGJOYBQNXBW-ZDUSSCGKSA-N 1 0 265.332 2.432 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCS[C@H](C)[C@H]2C)C1 ZINC000247513903 394531953 /nfs/dbraw/zinc/53/19/53/394531953.db2.gz YOAJVDVMKJYMDH-SYQHCUMBSA-N 1 0 299.484 2.251 10 0 CEAERO CCC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000309901956 394533644 /nfs/dbraw/zinc/53/36/44/394533644.db2.gz IPKGVEPBWKBYCO-HRCADAONSA-N 1 0 272.392 2.423 10 0 CEAERO CC(C)OCCC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248075306 394537317 /nfs/dbraw/zinc/53/73/17/394537317.db2.gz MWQUROVMKGXWNC-GJZGRUSLSA-N 1 0 255.402 2.429 10 0 CEAERO COc1cc(F)cc(C[NH2+]C[C@H]2CCCC[C@H]2O)c1 ZINC000312271206 394540748 /nfs/dbraw/zinc/54/07/48/394540748.db2.gz JDUKDBPTORCVLL-IUODEOHRSA-N 1 0 267.344 2.475 10 0 CEAERO CC(=O)CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000248613095 394543826 /nfs/dbraw/zinc/54/38/26/394543826.db2.gz QWTTZZYHKAROIC-BFHYXJOUSA-N 1 0 296.411 2.201 10 0 CEAERO CCOc1cc(C[NH2+]C[C@@H](O)C(C)(C)C)ccc1O ZINC000324316052 394550069 /nfs/dbraw/zinc/55/00/69/394550069.db2.gz FYSXRAJYJUINDC-CQSZACIVSA-N 1 0 267.369 2.288 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](C)CN1c1ccnc(C(F)(F)F)c1 ZINC000261591052 394603395 /nfs/dbraw/zinc/60/33/95/394603395.db2.gz XLDWLLOEPCEUBH-DTWKUNHWSA-N 1 0 259.275 2.287 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(c3cccc(C(F)(F)F)n3)C[C@@H]12 ZINC000261660799 394605088 /nfs/dbraw/zinc/60/50/88/394605088.db2.gz ZCKALGHHUGLNHJ-OPRDCNLKSA-N 1 0 271.286 2.274 10 0 CEAERO C[C@H]1CC(CC[N@@H+]2CCNC(=O)CC2)C[C@H](C)C1 ZINC000089124506 394647110 /nfs/dbraw/zinc/64/71/10/394647110.db2.gz UUAOKOLQOVWLBK-CHWSQXEVSA-N 1 0 252.402 2.271 10 0 CEAERO [NH3+]C[C@H]1CC[C@@H](Nc2cncc(Br)c2)C1 ZINC000335579850 394777798 /nfs/dbraw/zinc/77/77/98/394777798.db2.gz JKCJUPBQIOKWMD-WCBMZHEXSA-N 1 0 270.174 2.383 10 0 CEAERO CC[C@H](O)CN1CC[NH+](CCCC2CCCC2)CC1 ZINC000121231303 394794270 /nfs/dbraw/zinc/79/42/70/394794270.db2.gz QACHBEZRXAAYNU-INIZCTEOSA-N 1 0 268.445 2.345 10 0 CEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CC[C@@H](C)[C@@H](C)C2)C1 ZINC000129373124 394863927 /nfs/dbraw/zinc/86/39/27/394863927.db2.gz NOFMCDJKHDGRLF-CBBWQLFWSA-N 1 0 281.444 2.403 10 0 CEAERO C[NH+](C)CCNC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000133887213 394955644 /nfs/dbraw/zinc/95/56/44/394955644.db2.gz MDXHYKNVDWYTNN-CYBMUJFWSA-N 1 0 291.395 2.150 10 0 CEAERO CC(C)CNC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000132566250 394933595 /nfs/dbraw/zinc/93/35/95/394933595.db2.gz IYPVELPSXUQFGC-CYBMUJFWSA-N 1 0 255.406 2.062 10 0 CEAERO CCCC[C@@H](C(=O)OC)N1CC[C@H](Oc2cccnc2)C1 ZINC000152223895 394990838 /nfs/dbraw/zinc/99/08/38/394990838.db2.gz OKXATPYRXNAFBR-GJZGRUSLSA-N 1 0 292.379 2.267 10 0 CEAERO COc1ccc(CCC(=O)N2CC[C@@H]([NH3+])[C@@H]2C)cc1Cl ZINC000423658353 394962358 /nfs/dbraw/zinc/96/23/58/394962358.db2.gz DAIYLERVVSQQLK-GXFFZTMASA-N 1 0 296.798 2.229 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CCOc1ccccc1Cl ZINC000423688839 394966149 /nfs/dbraw/zinc/96/61/49/394966149.db2.gz XGBOQIGOFMECNO-PWSUYJOCSA-N 1 0 282.771 2.057 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC(C2CC2)C2CC2)C1 ZINC000156939953 395033861 /nfs/dbraw/zinc/03/38/61/395033861.db2.gz KQDMAIGIWXWTJY-RISCZKNCSA-N 1 0 279.428 2.203 10 0 CEAERO 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ZINC000261817727 153848613 /nfs/dbraw/zinc/84/86/13/153848613.db2.gz SJSZCFKLHSDMBS-DZGCQCFKSA-N 1 0 283.375 2.369 10 0 CEAERO COc1ccc(CN2C[C@H](C)[C@H]([NH3+])C2)c(Cl)c1 ZINC000262148151 153917612 /nfs/dbraw/zinc/91/76/12/153917612.db2.gz ZPPVZOBMBFZVEW-TVQRCGJNSA-N 1 0 254.761 2.128 10 0 CEAERO C[C@@H](CNC(=O)C1C[NH2+]C1)c1c(Cl)cccc1Cl ZINC000262172001 153921020 /nfs/dbraw/zinc/92/10/20/153921020.db2.gz CPUVKKUTPWJSHH-QMMMGPOBSA-N 1 0 287.190 2.433 10 0 CEAERO C[C@H](C[NH3+])C(=O)NC(C)(C)c1nc(C(F)(F)F)cs1 ZINC000262529155 153959748 /nfs/dbraw/zinc/95/97/48/153959748.db2.gz LTLSNNHEAOINBI-ZCFIWIBFSA-N 1 0 295.330 2.108 10 0 CEAERO C[C@H](C(=O)Nc1ccccc1OCC(F)F)C1C[NH2+]C1 ZINC000262602780 153966139 /nfs/dbraw/zinc/96/61/39/153966139.db2.gz XWLSILAVKZZYRO-VIFPVBQESA-N 1 0 284.306 2.125 10 0 CEAERO C[C@@]1([NH3+])CCCC[C@H]1C(=O)Nc1ccnc2ccncc21 ZINC000263187890 154031171 /nfs/dbraw/zinc/03/11/71/154031171.db2.gz HOKIRHSMHHIVJS-BLLLJJGKSA-N 1 0 284.363 2.476 10 0 CEAERO C[C@H](Cc1nc([C@H]2C[NH2+]CCN2C)no1)C1CCCCC1 ZINC000263234253 154042140 /nfs/dbraw/zinc/04/21/40/154042140.db2.gz NTRYTSJVPPULPR-TZMCWYRMSA-N 1 0 292.427 2.405 10 0 CEAERO CN1CC[NH2+]C[C@@H]1c1noc(C(C)(C)c2cccs2)n1 ZINC000263274274 154048370 /nfs/dbraw/zinc/04/83/70/154048370.db2.gz SQBUXIBIHCRQEK-SNVBAGLBSA-N 1 0 292.408 2.033 10 0 CEAERO C[C@@H]1CCCC[C@H]1[NH2+]C1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263482982 154098374 /nfs/dbraw/zinc/09/83/74/154098374.db2.gz GRFTVLIQBBKVSO-TWRYWWQQSA-N 1 0 294.439 2.482 10 0 CEAERO C[C@@H]1CC[C@@H]([NH2+]C2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)C1 ZINC000263511846 154108487 /nfs/dbraw/zinc/10/84/87/154108487.db2.gz NOZFGMGSTSRCEV-QSFCEBDXSA-N 1 0 280.412 2.092 10 0 CEAERO CCC(CC)C[NH2+]C1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263523246 154112668 /nfs/dbraw/zinc/11/26/68/154112668.db2.gz RZWKNOFNFMUGDG-UHFFFAOYSA-N 1 0 282.428 2.340 10 0 CEAERO Cc1nnc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)s1 ZINC000366868581 156097407 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CCCc1nc(CN2CC[C@@H](N3CCOCC3)C2)cs1 ZINC000173946002 165090074 /nfs/dbraw/zinc/09/00/74/165090074.db2.gz OHDBXYCNOVZFLI-CQSZACIVSA-N 1 0 295.452 2.002 10 0 CEAERO C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173927900 165090236 /nfs/dbraw/zinc/09/02/36/165090236.db2.gz DGAXPCHQFPJNOZ-BBRMVZONSA-N 1 0 278.371 2.293 10 0 CEAERO C[C@H](CCc1ccccc1)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173948460 165090335 /nfs/dbraw/zinc/09/03/35/165090335.db2.gz RALALFVGNMIERE-AEFFLSMTSA-N 1 0 288.435 2.414 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc(C2CC2)no1 ZINC000175034082 165123021 /nfs/dbraw/zinc/12/30/21/165123021.db2.gz GEOSEDHESDAVCQ-CHWSQXEVSA-N 1 0 276.384 2.006 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc(CC(C)C)no1 ZINC000175043166 165123953 /nfs/dbraw/zinc/12/39/53/165123953.db2.gz MTANWNIFXMNJMA-ZIAGYGMSSA-N 1 0 292.427 2.327 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(OC)cc1 ZINC000177005756 165179932 /nfs/dbraw/zinc/17/99/32/165179932.db2.gz ZQUZICCMFSIXLJ-AWEZNQCLSA-N 1 0 276.380 2.252 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(C)nc1C ZINC000176995189 165181729 /nfs/dbraw/zinc/18/17/29/165181729.db2.gz OOCLVMQFOVAWPJ-AWEZNQCLSA-N 1 0 275.396 2.255 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C)OCCC(C)C ZINC000176990804 165182393 /nfs/dbraw/zinc/18/23/93/165182393.db2.gz OIEVIRLCZURVCL-HUUCEWRRSA-N 1 0 284.444 2.380 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)N1CCC(OCCC(C)C)CC1 ZINC000178033255 165218740 /nfs/dbraw/zinc/21/87/40/165218740.db2.gz HCLOQUQUSSHAQJ-CQSZACIVSA-N 1 0 270.417 2.168 10 0 CEAERO CCSCC[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178288182 165230179 /nfs/dbraw/zinc/23/01/79/165230179.db2.gz XDNQMSWFSLKRBW-CYBMUJFWSA-N 1 0 253.415 2.409 10 0 CEAERO CCC[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccccn1 ZINC000180588502 165317235 /nfs/dbraw/zinc/31/72/35/165317235.db2.gz CWHNIJHCEMSWAY-OCCSQVGLSA-N 1 0 271.368 2.119 10 0 CEAERO C[C@H](NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)c1ccccn1 ZINC000247467298 165487967 /nfs/dbraw/zinc/48/79/67/165487967.db2.gz RJJXUWXMENHYOS-RDBSUJKOSA-N 1 0 288.395 2.021 10 0 CEAERO Cc1ccccc1C[C@@H]1CCc2[nH+]c(N)nc(N)c2C1 ZINC000005892766 170151022 /nfs/dbraw/zinc/15/10/22/170151022.db2.gz OLHNYACOMYRYQS-NSHDSACASA-N 1 0 268.364 2.297 10 0 CEAERO COc1ccc(C)cc1NC(=S)NCCC[NH+](C)C ZINC000007065232 170265600 /nfs/dbraw/zinc/26/56/00/170265600.db2.gz VXMBKNXOLOCYAB-UHFFFAOYSA-N 1 0 281.425 2.242 10 0 CEAERO COc1ccccc1[C@@H](C[NH3+])S(=O)(=O)c1ccccc1 ZINC000008037170 170315749 /nfs/dbraw/zinc/31/57/49/170315749.db2.gz WXCJCJJDCACZHP-OAHLLOKOSA-N 1 0 291.372 2.169 10 0 CEAERO [NH3+]Cc1ccc(Cn2ncc3ccccc3c2=O)c(F)c1 ZINC000019395977 170782868 /nfs/dbraw/zinc/78/28/68/170782868.db2.gz IDMLMGAZFPHXIQ-UHFFFAOYSA-N 1 0 283.306 2.043 10 0 CEAERO CCC[NH+](CCC)CC(=O)Nc1ccccc1C(N)=S ZINC000019504152 170816359 /nfs/dbraw/zinc/81/63/59/170816359.db2.gz UFRWRHUIFCISPE-UHFFFAOYSA-N 1 0 293.436 2.381 10 0 CEAERO CCCN(CCC)S(=O)(=O)c1cc(C[NH3+])ccc1C ZINC000020189489 171056146 /nfs/dbraw/zinc/05/61/46/171056146.db2.gz RNYNGSKGDVOFSO-UHFFFAOYSA-N 1 0 284.425 2.264 10 0 CEAERO [NH3+]Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000020224360 171086766 /nfs/dbraw/zinc/08/67/66/171086766.db2.gz AENANPZVKPPRHQ-UHFFFAOYSA-N 1 0 280.324 2.085 10 0 CEAERO CN(C(=O)C(C)(C)C)c1cccc(OCCC[NH3+])c1 ZINC000020225203 171087751 /nfs/dbraw/zinc/08/77/51/171087751.db2.gz MBNCJOPREGJFJG-UHFFFAOYSA-N 1 0 264.369 2.423 10 0 CEAERO CCN(C)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000020226520 171092123 /nfs/dbraw/zinc/09/21/23/171092123.db2.gz BHHDEXRDIIMZSM-NSHDSACASA-N 1 0 257.175 2.401 10 0 CEAERO COc1ccc([C@H](C[NH3+])N(C)CC2CC2)cc1OC ZINC000020226357 171092374 /nfs/dbraw/zinc/09/23/74/171092374.db2.gz RQNPZKGJNVTGPF-ZDUSSCGKSA-N 1 0 264.369 2.045 10 0 CEAERO Cc1ccc(CN(C)C(=O)[C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000020264792 171121711 /nfs/dbraw/zinc/12/17/11/171121711.db2.gz CJSUVVSEQWYZNE-ZFWWWQNUSA-N 1 0 260.381 2.342 10 0 CEAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+]Cc1ccc(OC)cc1 ZINC000020364374 171162889 /nfs/dbraw/zinc/16/28/89/171162889.db2.gz CSEGUWLVAJDIIH-GFCCVEGCSA-N 1 0 278.396 2.478 10 0 CEAERO CCN(CC)C(=O)[C@@H](C)[NH2+]CCc1ccc(OC)cc1 ZINC000020364330 171163209 /nfs/dbraw/zinc/16/32/09/171163209.db2.gz VZMIBAWZPINGIC-CYBMUJFWSA-N 1 0 278.396 2.084 10 0 CEAERO CC(C)CNC(=O)[C@H](C)Oc1ccc([C@@H](C)[NH3+])cc1 ZINC000020419335 171183971 /nfs/dbraw/zinc/18/39/71/171183971.db2.gz YCTUVNLTCYMOEB-NEPJUHHUSA-N 1 0 264.369 2.246 10 0 CEAERO C[C@@H]([NH3+])c1ccccc1O[C@H](C)C(=O)N1CCCCC1 ZINC000020419369 171184289 /nfs/dbraw/zinc/18/42/89/171184289.db2.gz KDYCCQOEGQREJI-CHWSQXEVSA-N 1 0 276.380 2.486 10 0 CEAERO C[C@@H]([NH3+])c1cc(F)ccc1Sc1nccc(=O)[nH]1 ZINC000020484000 171223672 /nfs/dbraw/zinc/22/36/72/171223672.db2.gz HUQULRHUFMIUMN-SSDOTTSWSA-N 1 0 265.313 2.080 10 0 CEAERO CC(C)(C)OC[C@H]([NH3+])c1ccc2c(c1)OCCO2 ZINC000020510757 171230294 /nfs/dbraw/zinc/23/02/94/171230294.db2.gz ILAZDGFOBLUZNW-NSHDSACASA-N 1 0 251.326 2.273 10 0 CEAERO COc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000020563955 171253228 /nfs/dbraw/zinc/25/32/28/171253228.db2.gz PDGXUBZXMFLHON-AWEZNQCLSA-N 1 0 289.379 2.397 10 0 CEAERO COc1cccc(C[C@@H]2C[N@@H+](C3CCC3)CCO2)c1 ZINC000020775364 171272196 /nfs/dbraw/zinc/27/21/96/171272196.db2.gz NHZCMBPZOCPEAM-MRXNPFEDSA-N 1 0 261.365 2.491 10 0 CEAERO CC[C@H](C)[NH2+]Cc1cc(Cl)ccc1OCC(N)=O ZINC000020873346 171277357 /nfs/dbraw/zinc/27/73/57/171277357.db2.gz XCYHGVIZQYQJOE-VIFPVBQESA-N 1 0 270.760 2.092 10 0 CEAERO Cc1c(N)cccc1NC(=O)CCC[N@@H+]1CCO[C@H](C)C1 ZINC000022151602 171359193 /nfs/dbraw/zinc/35/91/93/171359193.db2.gz XFNCFIJMCQTXDN-GFCCVEGCSA-N 1 0 291.395 2.017 10 0 CEAERO C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(N)c1 ZINC000022151666 171359198 /nfs/dbraw/zinc/35/91/98/171359198.db2.gz YILRJBPDHOAPEY-GFCCVEGCSA-N 1 0 261.369 2.472 10 0 CEAERO C[C@H]1C[NH+](CCCC(=O)Nc2ccccc2N)C[C@H](C)O1 ZINC000022154657 171361744 /nfs/dbraw/zinc/36/17/44/171361744.db2.gz RNKZOLZRZOIOIR-STQMWFEESA-N 1 0 291.395 2.097 10 0 CEAERO C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1cccc(C[NH3+])c1 ZINC000022167401 171366256 /nfs/dbraw/zinc/36/62/56/171366256.db2.gz RAVURAOAWSXAPB-TXEJJXNPSA-N 1 0 282.409 2.097 10 0 CEAERO COc1cc(N)ccc1NC(=O)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000022172526 171368764 /nfs/dbraw/zinc/36/87/64/171368764.db2.gz JOUYSKGPBSVUOV-TXEJJXNPSA-N 1 0 291.395 2.479 10 0 CEAERO [NH3+]Cc1ccccc1NC(=O)COCc1ccccc1 ZINC000022209399 171373147 /nfs/dbraw/zinc/37/31/47/171373147.db2.gz PHBPEBAAFHJDCS-UHFFFAOYSA-N 1 0 270.332 2.301 10 0 CEAERO C[C@H](OCC(F)(F)F)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000022215440 171375265 /nfs/dbraw/zinc/37/52/65/171375265.db2.gz ZIBPYTKYUJGKRA-QMMMGPOBSA-N 1 0 276.258 2.051 10 0 CEAERO CN(c1ccc(N)cc1Cl)C1CC[NH+](C)CC1 ZINC000022217965 171376441 /nfs/dbraw/zinc/37/64/41/171376441.db2.gz JDFADCMTJPTKEE-UHFFFAOYSA-N 1 0 253.777 2.453 10 0 CEAERO C[C@H](C(=O)Nc1ccc(F)c(N)c1)[NH+]1CCCCC1 ZINC000022222399 171378907 /nfs/dbraw/zinc/37/89/07/171378907.db2.gz NKYDUIPMSISUBC-SNVBAGLBSA-N 1 0 265.332 2.221 10 0 CEAERO CCc1ccc(O[C@H]2CC3(CC[C@@H]2[NH3+])OCCO3)cc1 ZINC000022564240 171391564 /nfs/dbraw/zinc/39/15/64/171391564.db2.gz SPRFIDFDCDZUGX-GJZGRUSLSA-N 1 0 277.364 2.251 10 0 CEAERO COc1ccc([C@@H]([NH3+])[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000022564506 171391643 /nfs/dbraw/zinc/39/16/43/171391643.db2.gz HWILGWVBEFOAFD-IATRGZMQSA-N 1 0 278.396 2.193 10 0 CEAERO CC(C)[NH2+]C[C@@H](O)COc1ccc2c(c1)CCCC2 ZINC000032113133 171706292 /nfs/dbraw/zinc/70/62/92/171706292.db2.gz XUMDSIINXOURQF-OAHLLOKOSA-N 1 0 263.381 2.303 10 0 CEAERO CCCNC(=O)COc1cccc([C@H](C)[NH2+]CC)c1 ZINC000034822328 171875792 /nfs/dbraw/zinc/87/57/92/171875792.db2.gz WUOSWDRQFJYUTH-LBPRGKRZSA-N 1 0 264.369 2.262 10 0 CEAERO CCCCC(=O)Nc1sc2c(c1C(=O)OC)CC[NH2+]C2 ZINC000035216844 172057702 /nfs/dbraw/zinc/05/77/02/172057702.db2.gz DTAVSMZDBURLKC-UHFFFAOYSA-N 1 0 296.392 2.309 10 0 CEAERO COCCCNC(=O)[C@H](C)[NH2+][C@H]1CCCc2ccccc21 ZINC000035221871 172064783 /nfs/dbraw/zinc/06/47/83/172064783.db2.gz VPJZXJUSWVXFTO-BBRMVZONSA-N 1 0 290.407 2.195 10 0 CEAERO C[C@@H](NC(=O)[C@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000035231168 172071671 /nfs/dbraw/zinc/07/16/71/172071671.db2.gz YFSJALANHHWGCR-BXKDBHETSA-N 1 0 297.196 2.378 10 0 CEAERO CSc1ccc([C@H](C)NC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000035255614 172085383 /nfs/dbraw/zinc/08/53/83/172085383.db2.gz IUCNXGPUOSJIIT-GWCFXTLKSA-N 1 0 264.394 2.338 10 0 CEAERO CSc1ccc([C@H](C)NC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000035255616 172085436 /nfs/dbraw/zinc/08/54/36/172085436.db2.gz IUCNXGPUOSJIIT-GXFFZTMASA-N 1 0 264.394 2.338 10 0 CEAERO C[C@@H]1C[C@@H](C)CN(c2nc3sccn3c2C[NH3+])C1 ZINC000035429887 172198573 /nfs/dbraw/zinc/19/85/73/172198573.db2.gz MOFCYBDYLVKAFD-NXEZZACHSA-N 1 0 264.398 2.337 10 0 CEAERO C[NH2+]Cc1c(N(C)C2CCCC2)nc2ccccn21 ZINC000035449174 172203871 /nfs/dbraw/zinc/20/38/71/172203871.db2.gz UPOYOIKSRHSLOI-UHFFFAOYSA-N 1 0 258.369 2.433 10 0 CEAERO C[NH2+][C@@H](c1cccs1)c1cccc(S(C)(=O)=O)c1 ZINC000035488229 172222985 /nfs/dbraw/zinc/22/29/85/172222985.db2.gz KNSXTMFXEPJDNQ-CYBMUJFWSA-N 1 0 281.402 2.460 10 0 CEAERO C[NH2+][C@H](CC(F)(F)F)c1ccc2[nH]c(=O)oc2c1 ZINC000035500763 172235047 /nfs/dbraw/zinc/23/50/47/172235047.db2.gz BCOWGCQPRAWZDQ-MRVPVSSYSA-N 1 0 260.215 2.334 10 0 CEAERO C[C@H](O)c1c(F)cccc1N1CCC[N@H+](C)CC1 ZINC000035631484 172313719 /nfs/dbraw/zinc/31/37/19/172313719.db2.gz OGORIKYMFWSOEV-NSHDSACASA-N 1 0 252.333 2.021 10 0 CEAERO CCCNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CC)c1 ZINC000035632729 172315598 /nfs/dbraw/zinc/31/55/98/172315598.db2.gz WHJWEVSLGITJTG-LLVKDONJSA-N 1 0 270.398 2.045 10 0 CEAERO COc1cccc(-c2noc([C@H]3CCC[NH2+]C3)n2)c1 ZINC000035676591 172347177 /nfs/dbraw/zinc/34/71/77/172347177.db2.gz AFFURXITHGBICB-NSHDSACASA-N 1 0 259.309 2.212 10 0 CEAERO C[C@@H]([NH2+]CC(=O)Nc1ccccc1Cl)[C@@H]1CCCO1 ZINC000035735812 172388505 /nfs/dbraw/zinc/38/85/05/172388505.db2.gz XRDGCHJRQDICNX-MFKMUULPSA-N 1 0 282.771 2.436 10 0 CEAERO COc1cc([C@H](C[NH3+])C(C)C)cc(OC)c1OC ZINC000036156052 172478355 /nfs/dbraw/zinc/47/83/55/172478355.db2.gz SOPQDYNDRMVFAT-LLVKDONJSA-N 1 0 253.342 2.411 10 0 CEAERO CCC[NH2+]CCCOc1cc(OC)cc(OC)c1 ZINC000036205489 172516167 /nfs/dbraw/zinc/51/61/67/172516167.db2.gz OZTZKHQSBRVVHE-UHFFFAOYSA-N 1 0 253.342 2.472 10 0 CEAERO [NH3+]C1CC(NC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000036237050 172535087 /nfs/dbraw/zinc/53/50/87/172535087.db2.gz SREHPGVMGXAGOR-UHFFFAOYSA-N 1 0 259.136 2.213 10 0 CEAERO Cn1c(C[NH2+]C2(CCO)CCCC2)nc2ccccc21 ZINC000285449607 196286925 /nfs/dbraw/zinc/28/69/25/196286925.db2.gz IXWOWDDMKIVLKX-UHFFFAOYSA-N 1 0 273.380 2.358 10 0 CEAERO [NH3+][C@@H]1C[C@@H]1NC(=O)Nc1cc(Cl)ccc1Cl ZINC000036263198 172556673 /nfs/dbraw/zinc/55/66/73/172556673.db2.gz RDWTZKXEQUFZEA-APPZFPTMSA-N 1 0 260.124 2.215 10 0 CEAERO C[NH2+]Cc1cccc(NC(=O)c2ccc(C)nc2)c1 ZINC000036282452 172574640 /nfs/dbraw/zinc/57/46/40/172574640.db2.gz DCILOBLSOMPFQQ-UHFFFAOYSA-N 1 0 255.321 2.362 10 0 CEAERO CCC(C)(C)[C@@H]1CC[C@H]([NH3+])[C@H](N2CCOCC2)C1 ZINC000036875215 172771918 /nfs/dbraw/zinc/77/19/18/172771918.db2.gz WKCOULDDYZARCB-HZSPNIEDSA-N 1 0 254.418 2.251 10 0 CEAERO COc1ccc(Br)cc1[C@H](C[NH3+])N(C)C ZINC000036894254 172785957 /nfs/dbraw/zinc/78/59/57/172785957.db2.gz AIFPIMPCTVMTPY-JTQLQIEISA-N 1 0 273.174 2.019 10 0 CEAERO C[NH2+]C[C@H](O)COc1ccc(C(C)(C)C)cc1C ZINC000036970047 172838196 /nfs/dbraw/zinc/83/81/96/172838196.db2.gz CCXWMCQJFWPFDB-ZDUSSCGKSA-N 1 0 251.370 2.252 10 0 CEAERO CCOCc1ccccc1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000037000140 172859776 /nfs/dbraw/zinc/85/97/76/172859776.db2.gz NWNIKNFQGVWJCO-GFCCVEGCSA-N 1 0 262.353 2.161 10 0 CEAERO CCN(C(C)C)S(=O)(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000037082628 172940070 /nfs/dbraw/zinc/94/00/70/172940070.db2.gz XLPZITXHQGNKBN-NSHDSACASA-N 1 0 270.398 2.125 10 0 CEAERO CSCCC[NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000037163125 172997731 /nfs/dbraw/zinc/99/77/31/172997731.db2.gz SZFLNNOBXCPRMK-SECBINFHSA-N 1 0 265.382 2.260 10 0 CEAERO Cc1n[nH]c(C)c1C[NH2+][C@H](CC(C)C)CN(C)C ZINC000037167260 173001335 /nfs/dbraw/zinc/00/13/35/173001335.db2.gz BDCCICRTVXWDML-CYBMUJFWSA-N 1 0 252.406 2.092 10 0 CEAERO CN([C@@H](C[NH3+])c1ccccc1F)[C@@H]1CCSC1 ZINC000037174655 173009794 /nfs/dbraw/zinc/00/97/94/173009794.db2.gz PPNRMZIFUNCARH-MFKMUULPSA-N 1 0 254.374 2.263 10 0 CEAERO C[C@@H](COc1ccc(Cl)cc1C[NH2+]C1CC1)C(N)=O ZINC000037226839 173047286 /nfs/dbraw/zinc/04/72/86/173047286.db2.gz UOLKJVHFHUNFMK-VIFPVBQESA-N 1 0 282.771 2.092 10 0 CEAERO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H](C)C(N)=O ZINC000037261533 173071705 /nfs/dbraw/zinc/07/17/05/173071705.db2.gz CAUSTAVRHGRZLE-IONNQARKSA-N 1 0 269.414 2.273 10 0 CEAERO NS(=O)(=O)CC[NH2+][C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000037261854 173071763 /nfs/dbraw/zinc/07/17/63/173071763.db2.gz RDVAQROFSDPHSV-ZIAGYGMSSA-N 1 0 288.457 2.004 10 0 CEAERO COC1CCN(C[C@@H]([NH3+])c2ccc(C)c(C)c2)CC1 ZINC000037266109 173076596 /nfs/dbraw/zinc/07/65/96/173076596.db2.gz SEXKXDNDMFGIEN-MRXNPFEDSA-N 1 0 262.397 2.414 10 0 CEAERO CCOCC[NH2+][C@H]1CCOc2ccc(OC)cc21 ZINC000037269319 173080889 /nfs/dbraw/zinc/08/08/89/173080889.db2.gz WSUOOTCEASQULY-ZDUSSCGKSA-N 1 0 251.326 2.145 10 0 CEAERO CCc1ccc([C@H](C)[NH2+]C2CCN(C(N)=O)CC2)cc1 ZINC000037279668 173088817 /nfs/dbraw/zinc/08/88/17/173088817.db2.gz CPQAXKOSOVXNKG-LBPRGKRZSA-N 1 0 275.396 2.443 10 0 CEAERO CC(=O)N1CCC([NH2+][C@@H](C)c2scnc2C)CC1 ZINC000037318018 173118065 /nfs/dbraw/zinc/11/80/65/173118065.db2.gz LQGMDBLUCYIKAQ-JTQLQIEISA-N 1 0 267.398 2.113 10 0 CEAERO CCOC(=O)C[C@H]([NH3+])c1cc(Cl)c2c(c1)OCCO2 ZINC000037324540 173125053 /nfs/dbraw/zinc/12/50/53/173125053.db2.gz AAUIMUSYNRAGFB-JTQLQIEISA-N 1 0 285.727 2.064 10 0 CEAERO O=C(Nc1ccccc1OC(F)F)[C@H]1CCC[NH2+]C1 ZINC000037328079 173128488 /nfs/dbraw/zinc/12/84/88/173128488.db2.gz DDPZTZRRHAHBFJ-VIFPVBQESA-N 1 0 270.279 2.226 10 0 CEAERO O[C@@H](c1cc2c(cc1Cl)OCCO2)[C@@H]1CCC[NH2+]C1 ZINC000037332257 173133652 /nfs/dbraw/zinc/13/36/52/173133652.db2.gz WTYGRRJRZAZACV-YMTOWFKASA-N 1 0 283.755 2.144 10 0 CEAERO CCN(c1ccccc1)S(=O)(=O)c1ccc(C[NH3+])s1 ZINC000037338081 173139448 /nfs/dbraw/zinc/13/94/48/173139448.db2.gz RHDFWYRGMRNGNX-UHFFFAOYSA-N 1 0 296.417 2.422 10 0 CEAERO [NH3+][C@@H](c1ccc2c(c1)CCCC(=O)N2)[C@H]1CCCO1 ZINC000037371267 173159731 /nfs/dbraw/zinc/15/97/31/173159731.db2.gz BUDRZFXYHQFPGC-HIFRSBDPSA-N 1 0 260.337 2.140 10 0 CEAERO COC(=O)CCC[NH2+]Cc1ccccc1Br ZINC000037395184 173175119 /nfs/dbraw/zinc/17/51/19/173175119.db2.gz IYFUJDLQKFURHH-UHFFFAOYSA-N 1 0 286.169 2.492 10 0 CEAERO COC(=O)CCC[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000037417154 173194666 /nfs/dbraw/zinc/19/46/66/173194666.db2.gz CCYNMFCRSONZNB-LLVKDONJSA-N 1 0 281.352 2.308 10 0 CEAERO C[C@@H](O)[C@@H]([NH3+])c1nc2cccc(Cl)c2n1C1CC1 ZINC000037444417 173212301 /nfs/dbraw/zinc/21/23/01/173212301.db2.gz GSTBNGNUIPKHAT-RDDDGLTNSA-N 1 0 265.744 2.405 10 0 CEAERO C[C@H]([NH3+])Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000037450071 173216804 /nfs/dbraw/zinc/21/68/04/173216804.db2.gz DHZSGSHJYMFKGD-YFKPBYRVSA-N 1 0 278.665 2.291 10 0 CEAERO CCCCCC[C@@](C)(C[NH3+])N(CCOC)CCOC ZINC000037489490 173231711 /nfs/dbraw/zinc/23/17/11/173231711.db2.gz FLLLNBQVNCIPSV-HNNXBMFYSA-N 1 0 274.449 2.269 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)N(C)Cc1ccc(OC)cc1 ZINC000037495552 173235075 /nfs/dbraw/zinc/23/50/75/173235075.db2.gz AWICIBPHSHDCJP-LBPRGKRZSA-N 1 0 264.369 2.042 10 0 CEAERO C[C@@]([NH2+]C1CC1)(C(N)=O)c1cccc2ccccc21 ZINC000037514628 173245966 /nfs/dbraw/zinc/24/59/66/173245966.db2.gz CQDXYEQYDYEHOK-INIZCTEOSA-N 1 0 254.333 2.292 10 0 CEAERO COc1ccc([C@H]([NH3+])CCCC(N)=O)cc1Cl ZINC000037636649 173584841 /nfs/dbraw/zinc/58/48/41/173584841.db2.gz NFDNXPPGTUSOHF-SNVBAGLBSA-N 1 0 256.733 2.004 10 0 CEAERO CC[C@H]([NH3+])Cc1cccc(OC)c1OCCCOC ZINC000037754336 173677937 /nfs/dbraw/zinc/67/79/37/173677937.db2.gz MWGFWRSESDRHJU-ZDUSSCGKSA-N 1 0 267.369 2.390 10 0 CEAERO C[C@H](C1CC1)N(CC(F)(F)F)C(=O)[C@H]1CCC[NH2+]C1 ZINC000037805066 173745700 /nfs/dbraw/zinc/74/57/00/173745700.db2.gz OBALDXWSRRTRHX-KOLCDFICSA-N 1 0 278.318 2.175 10 0 CEAERO O=C([C@H]1CCC[NH2+]1)N(Cc1ccco1)C1CCCC1 ZINC000037808568 173751710 /nfs/dbraw/zinc/75/17/10/173751710.db2.gz VYGXWMATPNSKAT-CQSZACIVSA-N 1 0 262.353 2.303 10 0 CEAERO CCC(CC)N(CC(F)(F)F)C(=O)C[C@H](C)[NH3+] ZINC000037814410 173762225 /nfs/dbraw/zinc/76/22/25/173762225.db2.gz YBCGXARWRLPTNP-QMMMGPOBSA-N 1 0 254.296 2.303 10 0 CEAERO CC(C)CCC(=O)N1CCC[C@H]1C1CC[NH2+]CC1 ZINC000037916083 173850293 /nfs/dbraw/zinc/85/02/93/173850293.db2.gz BFMWRGSDWJXAJK-AWEZNQCLSA-N 1 0 252.402 2.413 10 0 CEAERO CCC[C@@H](C)N(C)S(=O)(=O)Cc1cccc(C[NH3+])c1 ZINC000037918610 173854790 /nfs/dbraw/zinc/85/47/90/173854790.db2.gz COROOHKYJNUENO-GFCCVEGCSA-N 1 0 284.425 2.096 10 0 CEAERO COC(=O)c1ccc(Cl)c(NC2CC[NH2+]CC2)c1 ZINC000038041141 174041896 /nfs/dbraw/zinc/04/18/96/174041896.db2.gz XNPGNANMNUOSSJ-UHFFFAOYSA-N 1 0 268.744 2.291 10 0 CEAERO C[C@H](N(C)C(=O)[C@H]1CCCN1C1CC[NH2+]CC1)C(C)(C)C ZINC000038043301 174050301 /nfs/dbraw/zinc/05/03/01/174050301.db2.gz WYCLNBRGASUDRP-DZGCQCFKSA-N 1 0 295.471 2.096 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)c1ccc(OC(F)F)cc1 ZINC000038049335 174060709 /nfs/dbraw/zinc/06/07/09/174060709.db2.gz LWKFDVNDJMWPIE-RYUDHWBXSA-N 1 0 284.306 2.288 10 0 CEAERO CCN(CC)C(=O)c1cc(N[C@@H]2CCCC[C@H]2[NH3+])ccn1 ZINC000038050784 174062118 /nfs/dbraw/zinc/06/21/18/174062118.db2.gz KMHTVDVBOXVUER-ZIAGYGMSSA-N 1 0 290.411 2.245 10 0 CEAERO CC[C@H](C)[NH2+][C@@](C)(C(N)=O)c1ccc(F)cc1F ZINC000038065571 174076354 /nfs/dbraw/zinc/07/63/54/174076354.db2.gz FRTVZKCEXLJIGJ-ISVAXAHUSA-N 1 0 256.296 2.053 10 0 CEAERO C[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(=O)Nc1cccc(F)c1 ZINC000038076579 174086931 /nfs/dbraw/zinc/08/69/31/174086931.db2.gz ALUKCLRUWQHDOM-BREBYQMCSA-N 1 0 263.316 2.040 10 0 CEAERO CC(C)[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1cccs1 ZINC000038083429 174092725 /nfs/dbraw/zinc/09/27/25/174092725.db2.gz YFRLEHGDQXYXNC-WCQYABFASA-N 1 0 287.450 2.470 10 0 CEAERO CC(C)CC(CC(C)C)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000038083115 174092869 /nfs/dbraw/zinc/09/28/69/174092869.db2.gz IYXBRPGDITZAHO-ZDUSSCGKSA-N 1 0 275.458 2.472 10 0 CEAERO CCCS(=O)(=O)c1ccc(NC[C@@H](C)[NH+](C)C)cc1 ZINC000038089082 174102760 /nfs/dbraw/zinc/10/27/60/174102760.db2.gz NTUQHEJLGIQDED-GFCCVEGCSA-N 1 0 284.425 2.232 10 0 CEAERO C[NH2+]C[C@@H](c1cc(OC)ccc1OC)N1CCCC1 ZINC000039795621 174173591 /nfs/dbraw/zinc/17/35/91/174173591.db2.gz FHZLPWYZXDFMKE-AWEZNQCLSA-N 1 0 264.369 2.060 10 0 CEAERO CCC[C@H]1CN(C(=O)OCc2ccccc2)CC[NH2+]1 ZINC000039952244 174176847 /nfs/dbraw/zinc/17/68/47/174176847.db2.gz LZKIDRNIHSEQGN-AWEZNQCLSA-N 1 0 262.353 2.397 10 0 CEAERO COc1cc2c(CC[NH+](C)C)c[nH]c2c(OC)c1OC ZINC000040465096 174274448 /nfs/dbraw/zinc/27/44/48/174274448.db2.gz KTJHYSBPLLQBMF-UHFFFAOYSA-N 1 0 278.352 2.298 10 0 CEAERO CC(C)(C)[C@H]([NH3+])C(=O)N(Cc1ccco1)C1CC1 ZINC000040467309 174275299 /nfs/dbraw/zinc/27/52/99/174275299.db2.gz SJSHIMXDZDKGPA-GFCCVEGCSA-N 1 0 250.342 2.144 10 0 CEAERO CSCC[C@H]([NH3+])C(=O)N(C)C1CCC(C)CC1 ZINC000040467286 174275444 /nfs/dbraw/zinc/27/54/44/174275444.db2.gz PNCYBZIHEKTHQO-MCIGGMRASA-N 1 0 258.431 2.104 10 0 CEAERO COc1ccc(OC[C@@H](O)C[NH2+]CC(C)(C)C)cc1 ZINC000040493199 174292718 /nfs/dbraw/zinc/29/27/18/174292718.db2.gz WOWJREPHVQAPBN-LBPRGKRZSA-N 1 0 267.369 2.071 10 0 CEAERO O=C(Nc1cccc(O)c1)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000040495347 174294420 /nfs/dbraw/zinc/29/44/20/174294420.db2.gz YFZCHGOTKQIOLH-DDTOSNHZSA-N 1 0 260.337 2.251 10 0 CEAERO CCN1CCC[C@@H]([NH2+]Cc2c(C)nc3sccn23)C1 ZINC000040502786 174298701 /nfs/dbraw/zinc/29/87/01/174298701.db2.gz HBWNJIIROWAWJE-GFCCVEGCSA-N 1 0 278.425 2.278 10 0 CEAERO Cc1cc(C)c(C(N)=S)c(N[C@H](C)[C@H]2CCCO2)[nH+]1 ZINC000040510311 174304211 /nfs/dbraw/zinc/30/42/11/174304211.db2.gz JXJJIZNSMFTURI-GHMZBOCLSA-N 1 0 279.409 2.312 10 0 CEAERO COC(=O)c1ccccc1CNC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000040622910 174355968 /nfs/dbraw/zinc/35/59/68/174355968.db2.gz WWDBUKHAJBIKLA-AWEZNQCLSA-N 1 0 290.407 2.293 10 0 CEAERO COC(=O)C[C@@H](C)[NH2+]Cc1cc2c(s1)CCC2 ZINC000040627040 174356846 /nfs/dbraw/zinc/35/68/46/174356846.db2.gz CBNVMUQKBKXTKE-SECBINFHSA-N 1 0 253.367 2.278 10 0 CEAERO CC[NH+](CC)C[C@H](O)CNCc1cc2c(s1)CCC2 ZINC000040626869 174356901 /nfs/dbraw/zinc/35/69/01/174356901.db2.gz GLLUJOWXOAYUOS-CYBMUJFWSA-N 1 0 282.453 2.029 10 0 CEAERO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000040631113 174358362 /nfs/dbraw/zinc/35/83/62/174358362.db2.gz PSMLCLYWKVFNLX-OIBJUYFYSA-N 1 0 289.162 2.309 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccc(OC(C)C)cc2C)C1 ZINC000040634360 174360362 /nfs/dbraw/zinc/36/03/62/174360362.db2.gz LJRLCFZGAPVNCR-UKRRQHHQSA-N 1 0 292.379 2.098 10 0 CEAERO CCOC1CCN([C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000040678637 174374759 /nfs/dbraw/zinc/37/47/59/174374759.db2.gz RPGGFWLSVZBTFV-OAHLLOKOSA-N 1 0 266.360 2.326 10 0 CEAERO CCOC1CCN([C@@H]2Cc3ccccc3[C@H]2[NH3+])CC1 ZINC000040689278 174376309 /nfs/dbraw/zinc/37/63/09/174376309.db2.gz HUMCFBGDXIWVCR-HZPDHXFCSA-N 1 0 260.381 2.112 10 0 CEAERO CCOC1CCN(C[C@@H]([NH3+])c2cccc(OC)c2)CC1 ZINC000040689281 174376358 /nfs/dbraw/zinc/37/63/58/174376358.db2.gz FZPHRVKZJHZYMU-MRXNPFEDSA-N 1 0 278.396 2.196 10 0 CEAERO CCOC1CCN(c2nc3ccccn3c2C[NH2+]C)CC1 ZINC000040689858 174376541 /nfs/dbraw/zinc/37/65/41/174376541.db2.gz WLOIVDXRXGIDLK-UHFFFAOYSA-N 1 0 288.395 2.059 10 0 CEAERO Cc1ccc(Nc2nc[nH+]c(NN(C)C)c2N)cc1C ZINC000040702821 174379155 /nfs/dbraw/zinc/37/91/55/174379155.db2.gz ANHWUCUBLBJQHM-UHFFFAOYSA-N 1 0 272.356 2.308 10 0 CEAERO [NH3+]Cc1ccc(F)c(COc2ccc(CO)cc2)c1 ZINC000040710947 174381124 /nfs/dbraw/zinc/38/11/24/174381124.db2.gz YAULVUHCHADVGP-UHFFFAOYSA-N 1 0 261.296 2.356 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CNc1ncc(Br)cc1N ZINC000040713595 174381623 /nfs/dbraw/zinc/38/16/23/174381623.db2.gz WZSZJYDQWBCWDR-JTQLQIEISA-N 1 0 299.216 2.323 10 0 CEAERO COc1cccc(N(CCC[NH3+])c2cc(C)ncn2)c1 ZINC000040726848 174387250 /nfs/dbraw/zinc/38/72/50/174387250.db2.gz YVAFAGDFJYOXQI-UHFFFAOYSA-N 1 0 272.352 2.281 10 0 CEAERO CN(Cc1nnc(C(C)(C)C)o1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747110 174392945 /nfs/dbraw/zinc/39/29/45/174392945.db2.gz LBATXSGMCVVYRU-FOSCPWQOSA-N 1 0 278.400 2.082 10 0 CEAERO CCCN(C(=O)c1c(C)noc1C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747831 174393199 /nfs/dbraw/zinc/39/31/99/174393199.db2.gz WJBQFYUPZWEWDK-PBWFPOADSA-N 1 0 291.395 2.427 10 0 CEAERO CC(C)(C)c1cnc(CN2[C@@H]3CC[C@H]2CC([NH3+])C3)o1 ZINC000040750222 174394638 /nfs/dbraw/zinc/39/46/38/174394638.db2.gz YYQVYQPSGAYILA-YOGCLGLASA-N 1 0 263.385 2.426 10 0 CEAERO CCOc1nc(NCC[NH+]2CCCCCC2)ccc1N ZINC000040767624 174397978 /nfs/dbraw/zinc/39/79/78/174397978.db2.gz HZPUHHNTZRLLAT-UHFFFAOYSA-N 1 0 278.400 2.350 10 0 CEAERO [NH3+]CCCC(=O)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000040856767 174424006 /nfs/dbraw/zinc/42/40/06/174424006.db2.gz BYXXXVWNODGDCA-UHFFFAOYSA-N 1 0 287.319 2.209 10 0 CEAERO CC[C@H]1CN(c2nc(C)cc(C(C)C)n2)CC[C@@H]1[NH3+] ZINC000122599029 414788557 /nfs/dbraw/zinc/78/85/57/414788557.db2.gz MKIWKAMFZUDBPT-STQMWFEESA-N 1 0 262.401 2.472 10 0 CEAERO [NH3+]C1CCC(C(=O)N2CCCc3ccccc3C2)CC1 ZINC000062945939 414760373 /nfs/dbraw/zinc/76/03/73/414760373.db2.gz JJHQYCWZWVINGJ-UHFFFAOYSA-N 1 0 272.392 2.479 10 0 CEAERO C[C@H]1CCCN(c2ncnc3sccc32)[C@@H]1C[NH3+] ZINC000070178370 414768211 /nfs/dbraw/zinc/76/82/11/414768211.db2.gz YNIMRCKIAKUNOG-GXSJLCMTSA-N 1 0 262.382 2.255 10 0 CEAERO C[C@@H]1C[C@@H]([NH2+]CC[C@]2(O)CCOC2)CC(C)(C)C1 ZINC000404163398 414773883 /nfs/dbraw/zinc/77/38/83/414773883.db2.gz ZUIMSLFPVSUZIO-NFAWXSAZSA-N 1 0 255.402 2.332 10 0 CEAERO C[C@@H](NC(=O)C(C)(C)C[NH3+])c1cc(F)ccc1F ZINC000122980918 414792240 /nfs/dbraw/zinc/79/22/40/414792240.db2.gz IQXGZGUXPARVCW-MRVPVSSYSA-N 1 0 256.296 2.127 10 0 CEAERO CN(C(=O)c1cc2ccccc2o1)[C@@H](C[NH3+])C(F)(F)F ZINC000662977787 414816432 /nfs/dbraw/zinc/81/64/32/414816432.db2.gz WRYHWBPLJDZAKV-NSHDSACASA-N 1 0 286.253 2.394 10 0 CEAERO Cc1cccc(CCC(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)c1 ZINC000662980110 414817702 /nfs/dbraw/zinc/81/77/02/414817702.db2.gz ZRHMRBFWJGFZPD-LBPRGKRZSA-N 1 0 288.313 2.276 10 0 CEAERO C[C@H]1C[C@@H](C(=O)NCCCC[NH+](C)C)c2ccccc2N1 ZINC000041681250 174603989 /nfs/dbraw/zinc/60/39/89/174603989.db2.gz IACOEIYBEVVKLK-DZGCQCFKSA-N 1 0 289.423 2.432 10 0 CEAERO Cc1ccccc1[C@H](C)NC[C@H](O)C[N@@H+](C)C(C)C ZINC000311758310 414860911 /nfs/dbraw/zinc/86/09/11/414860911.db2.gz VZFIBEUSZZFMLB-GJZGRUSLSA-N 1 0 264.413 2.347 10 0 CEAERO O[C@@H]1CCC[C@H](C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)C1 ZINC000311883896 414862996 /nfs/dbraw/zinc/86/29/96/414862996.db2.gz YVHHOGIVNIBZEW-ZJIFWQFVSA-N 1 0 267.413 2.165 10 0 CEAERO C[C@@H](CCC1CC1)NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653156716 414928126 /nfs/dbraw/zinc/92/81/26/414928126.db2.gz JMNPWBNTTDBVAZ-JMJZKYOTSA-N 1 0 278.318 2.079 10 0 CEAERO CSc1ccc(Cl)c(C(=O)NC2[C@H]3C[NH2+]C[C@@H]23)c1 ZINC000042392613 174707500 /nfs/dbraw/zinc/70/75/00/174707500.db2.gz YVJHCIUGJUCYRG-DHHPTOIESA-N 1 0 282.796 2.010 10 0 CEAERO CCC[NH2+]Cc1c(C)nn(C)c1N1CCC[C@H](OCC)C1 ZINC000042424250 174724335 /nfs/dbraw/zinc/72/43/35/174724335.db2.gz XWNSZVZFHRLZBT-AWEZNQCLSA-N 1 0 294.443 2.233 10 0 CEAERO COc1ccccc1NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653445992 414997621 /nfs/dbraw/zinc/99/76/21/414997621.db2.gz JEDXHYCGUFWRBT-RKDXNWHRSA-N 1 0 288.269 2.032 10 0 CEAERO COCc1nc(CN[C@@H]2CC[N@@H+](C(C)(C)C)C2)cs1 ZINC000657563285 415002058 /nfs/dbraw/zinc/00/20/58/415002058.db2.gz RPGNWNZGRXBFFO-LLVKDONJSA-N 1 0 283.441 2.252 10 0 CEAERO CCC(CC)N(CCOC)[C@H](CC[NH3+])C(F)(F)F ZINC000042614317 174826387 /nfs/dbraw/zinc/82/63/87/174826387.db2.gz FZICDQMMHYRXFO-LLVKDONJSA-N 1 0 270.339 2.403 10 0 CEAERO COc1c(C[NH2+]C[C@@H](OC)C2CCCC2)c(C)nn1C ZINC000657767709 415075910 /nfs/dbraw/zinc/07/59/10/415075910.db2.gz PLITYYVFIKDGJQ-CQSZACIVSA-N 1 0 281.400 2.032 10 0 CEAERO CCCN(CC(F)(F)F)c1ccc(C(N)=[NH2+])cn1 ZINC000042767584 174869658 /nfs/dbraw/zinc/86/96/58/174869658.db2.gz VSMKXIOWHIARGK-UHFFFAOYSA-N 1 0 260.263 2.144 10 0 CEAERO OCC1CC([NH2+]Cc2ccccc2Br)C1 ZINC000657808329 415087219 /nfs/dbraw/zinc/08/72/19/415087219.db2.gz FOMBTBLPWZPLEL-UHFFFAOYSA-N 1 0 270.170 2.310 10 0 CEAERO C[C@H]([NH3+])[C@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000042974895 174938753 /nfs/dbraw/zinc/93/87/53/174938753.db2.gz RNGLVCPCRAPBLI-GXFFZTMASA-N 1 0 254.761 2.061 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cccc(Cl)c1)N(C)CC(=O)N(C)C ZINC000043014134 174941752 /nfs/dbraw/zinc/94/17/52/174941752.db2.gz WSJHMDMXORFCBA-HIFRSBDPSA-N 1 0 297.830 2.138 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccccc1Cl)N(C)CCO ZINC000043051737 174959684 /nfs/dbraw/zinc/95/96/84/174959684.db2.gz PPOPYDKKIVFUSO-STQMWFEESA-N 1 0 256.777 2.043 10 0 CEAERO CCOc1ccccc1O[C@H](c1cnn(C)c1)[C@H](C)[NH3+] ZINC000043233472 174986234 /nfs/dbraw/zinc/98/62/34/174986234.db2.gz IFVMXVCOZVTQJW-NHYWBVRUSA-N 1 0 275.352 2.286 10 0 CEAERO Cn1cc([C@@H](C[NH3+])Sc2ccccc2F)cn1 ZINC000043237146 174987566 /nfs/dbraw/zinc/98/75/66/174987566.db2.gz QORRHRFDGJXHRF-GFCCVEGCSA-N 1 0 251.330 2.351 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Oc1ccccc1C(N)=O)C(C)(C)C ZINC000043296503 174998758 /nfs/dbraw/zinc/99/87/58/174998758.db2.gz OYQJIPHWWXGWIY-WCQYABFASA-N 1 0 264.369 2.316 10 0 CEAERO C[NH2+][C@H](c1ccc(OC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043300712 175001338 /nfs/dbraw/zinc/00/13/38/175001338.db2.gz DWAFASZVPPBHGO-DZGCQCFKSA-N 1 0 297.420 2.169 10 0 CEAERO CC[NH2+][C@@H](c1c(F)cccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000043300771 175001691 /nfs/dbraw/zinc/00/16/91/175001691.db2.gz SQFOJUVEZJALAJ-TVQRCGJNSA-N 1 0 289.347 2.050 10 0 CEAERO Cc1cccc([C@@H](CN)[N@@H+](C)C2CCOCC2)c1C ZINC000043314694 175004838 /nfs/dbraw/zinc/00/48/38/175004838.db2.gz OYMVZDVWTYJSQV-MRXNPFEDSA-N 1 0 262.397 2.414 10 0 CEAERO COc1ccc(Cl)c(NC(=O)[C@](C)([NH3+])C2CC2)c1 ZINC000043318647 175005630 /nfs/dbraw/zinc/00/56/30/175005630.db2.gz BZGXNAHRGSAJQU-CYBMUJFWSA-N 1 0 268.744 2.415 10 0 CEAERO C[C@H]([NH3+])[C@H](c1ccco1)N(C)CCc1ccccn1 ZINC000043334605 175010488 /nfs/dbraw/zinc/01/04/88/175010488.db2.gz HQDSWRCYBVMNSU-SWLSCSKDSA-N 1 0 259.353 2.237 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccco1)N(C)CCc1ccncc1 ZINC000043335416 175011143 /nfs/dbraw/zinc/01/11/43/175011143.db2.gz HBDIFGLPRKUKLH-IUODEOHRSA-N 1 0 259.353 2.237 10 0 CEAERO COCCN(CC(C)C)[C@H](c1ccco1)[C@@H](C)[NH3+] ZINC000043335918 175011715 /nfs/dbraw/zinc/01/17/15/175011715.db2.gz ZIJRMXSBDMHVEZ-OCCSQVGLSA-N 1 0 254.374 2.272 10 0 CEAERO C[C@@H]([NH3+])[C@@H](Oc1cccc(S(C)(=O)=O)c1)c1ccco1 ZINC000043337852 175012781 /nfs/dbraw/zinc/01/27/81/175012781.db2.gz LARCWPACZXGZNY-QMTHXVAHSA-N 1 0 295.360 2.150 10 0 CEAERO C[C@@H]([NH3+])[C@@H](Oc1ccc2c(c1)OCO2)c1ccco1 ZINC000043337398 175012845 /nfs/dbraw/zinc/01/28/45/175012845.db2.gz BIAKIBKSKBWCEB-YMTOWFKASA-N 1 0 261.277 2.476 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccccn1)N(C)CCc1ccccn1 ZINC000043338986 175013086 /nfs/dbraw/zinc/01/30/86/175013086.db2.gz GVTKYZQAQCZRNH-WBVHZDCISA-N 1 0 284.407 2.430 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccccn1)N(CCOC)CC(C)C ZINC000043340423 175014741 /nfs/dbraw/zinc/01/47/41/175014741.db2.gz XUKSTEDBFXXDSC-HOCLYGCPSA-N 1 0 279.428 2.464 10 0 CEAERO [NH3+]C[C@@H](OCc1ccc2c(c1)OCO2)c1ccccn1 ZINC000043342823 175015998 /nfs/dbraw/zinc/01/59/98/175015998.db2.gz HHDFYJZCJJRMPT-OAHLLOKOSA-N 1 0 272.304 2.027 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1nc(C)cc(=O)[nH]1)c1ccccn1 ZINC000043344604 175016366 /nfs/dbraw/zinc/01/63/66/175016366.db2.gz YDUKGVYKLPNJFW-MFKMUULPSA-N 1 0 290.392 2.044 10 0 CEAERO Cc1nnc(S[C@H](c2ccccn2)[C@H](C)[NH3+])s1 ZINC000043345132 175016646 /nfs/dbraw/zinc/01/66/46/175016646.db2.gz LTUBUAAXVSJBGM-XVKPBYJWSA-N 1 0 266.395 2.422 10 0 CEAERO [NH3+]C[C@H](c1cccnc1)N1CCC[C@@H]1c1ccncc1 ZINC000043346745 175017471 /nfs/dbraw/zinc/01/74/71/175017471.db2.gz BJUVIZDJIIMZQX-HZPDHXFCSA-N 1 0 268.364 2.314 10 0 CEAERO CC[C@@H]([NH3+])[C@H](OC[C@@H]1CCCCO1)c1cccnc1 ZINC000043350306 175019123 /nfs/dbraw/zinc/01/91/23/175019123.db2.gz DNQPJQMYAANZRQ-RRFJBIMHSA-N 1 0 264.369 2.446 10 0 CEAERO CCOC(=O)CS[C@H](c1cccnc1)[C@H]([NH3+])CC ZINC000043352645 175020321 /nfs/dbraw/zinc/02/03/21/175020321.db2.gz VFJWCLGCUAVEEK-DGCLKSJQSA-N 1 0 268.382 2.156 10 0 CEAERO COc1cccc(CO[C@@H](C[NH3+])c2ccncc2)c1 ZINC000043355791 175023557 /nfs/dbraw/zinc/02/35/57/175023557.db2.gz HDMZPTQYVUWKFZ-HNNXBMFYSA-N 1 0 258.321 2.307 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1n[nH]c(C)n1)c1ccncc1 ZINC000043363599 175023936 /nfs/dbraw/zinc/02/39/36/175023936.db2.gz YICUCBPKGJRWEJ-GHMZBOCLSA-N 1 0 263.370 2.079 10 0 CEAERO Cc1ccc([C@H]([C@H](C)[NH3+])N2CCCSCC2)o1 ZINC000043364687 175025407 /nfs/dbraw/zinc/02/54/07/175025407.db2.gz AMWZMKNNRXRFPH-AAEUAGOBSA-N 1 0 254.399 2.415 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)N1CCOCC1(C)C ZINC000043364749 175025609 /nfs/dbraw/zinc/02/56/09/175025609.db2.gz IPKACPBMRDEUIQ-OCCSQVGLSA-N 1 0 266.385 2.477 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)N1CCCC[C@@H]1CO ZINC000043364607 175025772 /nfs/dbraw/zinc/02/57/72/175025772.db2.gz AXYMCMYNCZYNJJ-UMVBOHGHSA-N 1 0 266.385 2.213 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1nc[nH]n1)c1ccc(C)o1 ZINC000043367196 175026991 /nfs/dbraw/zinc/02/69/91/175026991.db2.gz GXJLLNHYCKYYRO-PSASIEDQSA-N 1 0 252.343 2.277 10 0 CEAERO Cc1ccc([C@@H](C[NH3+])Oc2cccc(S(C)(=O)=O)c2)o1 ZINC000043366993 175027196 /nfs/dbraw/zinc/02/71/96/175027196.db2.gz KMKARXKRUZWPRS-CQSZACIVSA-N 1 0 295.360 2.070 10 0 CEAERO CC[C@@H]([NH3+])[C@H](N(C)Cc1ccoc1)C(F)(F)F ZINC000043378251 175030436 /nfs/dbraw/zinc/03/04/36/175030436.db2.gz FDSSSCRUWOXVNF-ZJUUUORDSA-N 1 0 250.264 2.380 10 0 CEAERO C[C@@H]([NH3+])[C@H](N(CC(F)(F)F)C1CC1)C(F)(F)F ZINC000043379267 175030746 /nfs/dbraw/zinc/03/07/46/175030746.db2.gz NMWIHAKEVGLNTR-VDTYLAMSSA-N 1 0 264.213 2.291 10 0 CEAERO CCN(CCOC)[C@@H](C[NH3+])c1ccc(Cl)c(F)c1 ZINC000043390546 175033544 /nfs/dbraw/zinc/03/35/44/175033544.db2.gz IIVUHDUEONHCPV-ZDUSSCGKSA-N 1 0 274.767 2.447 10 0 CEAERO COC[C@H](C)N(C)[C@@H](C[NH3+])c1cc(C)cc(C)c1 ZINC000043394430 175035253 /nfs/dbraw/zinc/03/52/53/175035253.db2.gz SFXYNENSTGDCDY-ZFWWWQNUSA-N 1 0 250.386 2.270 10 0 CEAERO [NH3+]CCc1ccc(OC[C@@H]2CCCO2)c(Cl)c1 ZINC000043491050 175057139 /nfs/dbraw/zinc/05/71/39/175057139.db2.gz FQWNDGZFHPDJPM-NSHDSACASA-N 1 0 255.745 2.399 10 0 CEAERO O=C1NCC[C@H]1[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000658052601 415175444 /nfs/dbraw/zinc/17/54/44/415175444.db2.gz MOCKUUPWKYOHRX-KGPNIALWSA-N 1 0 264.756 2.064 10 0 CEAERO CC[NH2+][C@H](c1ccc(OC)cc1)[C@H](C)N1CCOCC1 ZINC000043808407 175109132 /nfs/dbraw/zinc/10/91/32/175109132.db2.gz VGDMMRRYKCMUKS-BBRMVZONSA-N 1 0 278.396 2.067 10 0 CEAERO C[NH2+][C@@H](CN(C)C(C)C)c1ccc2c(c1)OCCCO2 ZINC000043813186 175111030 /nfs/dbraw/zinc/11/10/30/175111030.db2.gz ZDMIRVWZNJBUOK-AWEZNQCLSA-N 1 0 278.396 2.449 10 0 CEAERO CC[NH2+][C@H](C)CCN1CCc2cc(OC)c(OC)cc2C1 ZINC000043817761 175112867 /nfs/dbraw/zinc/11/28/67/175112867.db2.gz ZDSPBUPNJGACEG-CYBMUJFWSA-N 1 0 292.423 2.450 10 0 CEAERO C[NH2+][C@H](C)CCN1CCc2cc(OC)c(OC)cc2C1 ZINC000043817757 175113160 /nfs/dbraw/zinc/11/31/60/175113160.db2.gz UEXJJOHDXRWGJA-GFCCVEGCSA-N 1 0 278.396 2.060 10 0 CEAERO CC[NH2+][C@H]1CCC2(C[C@H]1N(CC)CC(C)C)OCCO2 ZINC000043888215 175117417 /nfs/dbraw/zinc/11/74/17/175117417.db2.gz HJFQQAVGELMTDO-LSDHHAIUSA-N 1 0 284.444 2.238 10 0 CEAERO CCc1ccc([C@H](CN2CCOC[C@@H]2C)[NH2+]C)cc1 ZINC000043891223 175118191 /nfs/dbraw/zinc/11/81/91/175118191.db2.gz YRMGULCTDFBVHF-BBRMVZONSA-N 1 0 262.397 2.230 10 0 CEAERO C[NH2+][C@@H](CN(C)[C@@H](C)C1CC1)c1ccc2c(c1)OCO2 ZINC000043894704 175119261 /nfs/dbraw/zinc/11/92/61/175119261.db2.gz IYIGNQBDNLODAJ-FZMZJTMJSA-N 1 0 276.380 2.406 10 0 CEAERO CCOc1ccc([C@H](CN2CCOC(C)(C)C2)[NH2+]C)cc1 ZINC000043897677 175120394 /nfs/dbraw/zinc/12/03/94/175120394.db2.gz HGEKYUFXGQXVDD-INIZCTEOSA-N 1 0 292.423 2.457 10 0 CEAERO CCC[NH2+][C@H]1CCOC[C@@H]1N1CCC(CC)CC1 ZINC000043913617 175124297 /nfs/dbraw/zinc/12/42/97/175124297.db2.gz SLFIPWPWKMDSGX-GJZGRUSLSA-N 1 0 254.418 2.266 10 0 CEAERO C[NH2+][C@@H](c1ccccc1)[C@@H](C)N1CCOCC1(C)C ZINC000043916610 175125905 /nfs/dbraw/zinc/12/59/05/175125905.db2.gz WRMCWNCVRDCCFS-UKRRQHHQSA-N 1 0 262.397 2.446 10 0 CEAERO CCN(C[C@@H]1CCCO1)[C@@H]1CCCCC[C@@H]1[NH2+]C ZINC000043966763 175127815 /nfs/dbraw/zinc/12/78/15/175127815.db2.gz RDIATCDSOKCLMG-SOUVJXGZSA-N 1 0 254.418 2.408 10 0 CEAERO CCC[NH2+][C@H]1CCCC[C@H]1N(C)C[C@@H]1CCCO1 ZINC000043966307 175128057 /nfs/dbraw/zinc/12/80/57/175128057.db2.gz KSFZIOVEZWEBNB-SOUVJXGZSA-N 1 0 254.418 2.408 10 0 CEAERO C[NH2+][C@H](CN(C)[C@@H](C)COC)c1ccc(C)cc1 ZINC000043969023 175130375 /nfs/dbraw/zinc/13/03/75/175130375.db2.gz XJXCWCFNEGEJRW-DZGCQCFKSA-N 1 0 250.386 2.222 10 0 CEAERO CC[NH2+][C@@H](CN(CCOC)C1CC1)c1ccc(OC)cc1 ZINC000043969944 175131398 /nfs/dbraw/zinc/13/13/98/175131398.db2.gz QWNUPPUKVMOUJB-KRWDZBQOSA-N 1 0 292.423 2.457 10 0 CEAERO Cc1nnc(COc2ccc3c(c2)CCC[C@@H]3[NH3+])o1 ZINC000044732439 175241151 /nfs/dbraw/zinc/24/11/51/175241151.db2.gz DNABAHNRAWXSDW-ZDUSSCGKSA-N 1 0 259.309 2.293 10 0 CEAERO CCCNC(=O)[C@@H](C)Oc1ccc2c(c1)CCC[C@@H]2[NH3+] ZINC000044744903 175241448 /nfs/dbraw/zinc/24/14/48/175241448.db2.gz CXBCXDHNRRRVDW-ABAIWWIYSA-N 1 0 276.380 2.316 10 0 CEAERO Cc1cc(N)ccc1C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000044748972 175244416 /nfs/dbraw/zinc/24/44/16/175244416.db2.gz UPRJADBHPHRCOU-ZDUSSCGKSA-N 1 0 275.396 2.037 10 0 CEAERO [NH3+]CC1(C(=O)NCc2ccco2)CCCCCC1 ZINC000044761236 175245875 /nfs/dbraw/zinc/24/58/75/175245875.db2.gz NAELQTKMZQPDAF-UHFFFAOYSA-N 1 0 250.342 2.195 10 0 CEAERO CCOC1CCN(C(=O)C2(C[NH3+])CCCCCC2)CC1 ZINC000044763166 175246975 /nfs/dbraw/zinc/24/69/75/175246975.db2.gz XUSSJXMFUFKPGO-UHFFFAOYSA-N 1 0 282.428 2.313 10 0 CEAERO CC[C@@H](C)CN(C)C(=O)[C@H](C[NH3+])Cc1ccccc1 ZINC000044800710 175255709 /nfs/dbraw/zinc/25/57/09/175255709.db2.gz RJJAISLYXPGSQH-HIFRSBDPSA-N 1 0 262.397 2.309 10 0 CEAERO CC(C)[C@H](C[NH3+])C(=O)N[C@H](C)c1cccc(F)c1 ZINC000044806369 175256438 /nfs/dbraw/zinc/25/64/38/175256438.db2.gz LTLQQVNHXFKPCK-MFKMUULPSA-N 1 0 252.333 2.234 10 0 CEAERO CC(C)[C@@H](C[NH3+])C(=O)N[C@H](C)c1ccccc1F ZINC000044806331 175256500 /nfs/dbraw/zinc/25/65/00/175256500.db2.gz GAQSBMMRRMXCQA-ZYHUDNBSSA-N 1 0 252.333 2.234 10 0 CEAERO CCCC(CCC)(C(N)=S)C(=O)NC1CC[NH+](C)CC1 ZINC000044836055 175262901 /nfs/dbraw/zinc/26/29/01/175262901.db2.gz OWGDHFFVPWKETB-UHFFFAOYSA-N 1 0 299.484 2.070 10 0 CEAERO CCCC(CCC)(C(N)=S)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000044842061 175263657 /nfs/dbraw/zinc/26/36/57/175263657.db2.gz NFKHSPAOEWVDGS-GFCCVEGCSA-N 1 0 299.484 2.070 10 0 CEAERO CNC(=O)CC[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000044990304 175286309 /nfs/dbraw/zinc/28/63/09/175286309.db2.gz JKSFLDUYPKQRCX-CQSZACIVSA-N 1 0 250.317 2.003 10 0 CEAERO CC[C@@H](C)NC(=O)CCn1c(N)[nH+]c2cc(F)ccc21 ZINC000045005586 175288129 /nfs/dbraw/zinc/28/81/29/175288129.db2.gz WVWVCPWNTXFQLK-SECBINFHSA-N 1 0 278.331 2.062 10 0 CEAERO C[C@H](N)[C@H](c1cnn(C)c1)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045067058 175300143 /nfs/dbraw/zinc/30/01/43/175300143.db2.gz NXBNMSFXCYRGJI-APHBMKBZSA-N 1 0 276.428 2.463 10 0 CEAERO CC(C)CCNC(=O)[C@H](C)[NH2+]CCOCCC(C)C ZINC000045106862 175308404 /nfs/dbraw/zinc/30/84/04/175308404.db2.gz WWYATYDAMTYJFB-AWEZNQCLSA-N 1 0 272.433 2.190 10 0 CEAERO COC(=O)c1cc(N)ccc1NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000045141374 175315952 /nfs/dbraw/zinc/31/59/52/175315952.db2.gz WFEXCPWRYMHZRX-GFCCVEGCSA-N 1 0 291.395 2.198 10 0 CEAERO CS(=O)(=O)c1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000045173102 175322628 /nfs/dbraw/zinc/32/26/28/175322628.db2.gz JADKTCDFYRZIEB-GZBFAFLISA-N 1 0 279.405 2.368 10 0 CEAERO CC(C)[NH2+]Cc1ccc(CN2CCOCC2)s1 ZINC000045206497 175328156 /nfs/dbraw/zinc/32/81/56/175328156.db2.gz SCFQLVDDWVNLPK-UHFFFAOYSA-N 1 0 254.399 2.078 10 0 CEAERO C[C@@](N)(C[NH+](C1CCCCC1)C1CCCCC1)C(N)=O ZINC000045222782 175330736 /nfs/dbraw/zinc/33/07/36/175330736.db2.gz CFLQRTKHDFMUNR-MRXNPFEDSA-N 1 0 281.444 2.157 10 0 CEAERO CC[N@H+](C[C@@](C)(NC1CC1)C(=O)OC)C1CCCCC1 ZINC000045224087 175332333 /nfs/dbraw/zinc/33/23/33/175332333.db2.gz GLMHHDJJQHELJM-MRXNPFEDSA-N 1 0 282.428 2.325 10 0 CEAERO CC(C)[NH2+][C@@](C)(CC[N@H+]1C[C@H](C)C[C@H](C)C1)C(=O)[O-] ZINC000045224598 175332920 /nfs/dbraw/zinc/33/29/20/175332920.db2.gz ZEOHBASBMAELOI-GUTXKFCHSA-N 1 0 270.417 2.196 10 0 CEAERO COC(=O)[C@@](C)(C[N@H+](C)C1CCCCC1)NC(C)C ZINC000045231179 175334902 /nfs/dbraw/zinc/33/49/02/175334902.db2.gz WFDZTVPZYBUQCX-OAHLLOKOSA-N 1 0 270.417 2.181 10 0 CEAERO CC[NH2+][C@@](C)(CC[N@H+](C)C1CCCCC1)C(=O)[O-] ZINC000045231215 175334952 /nfs/dbraw/zinc/33/49/52/175334952.db2.gz JAERGWAFVZDQJQ-AWEZNQCLSA-N 1 0 256.390 2.094 10 0 CEAERO CCOC(=O)[C@](C)(C[NH+]1[C@@H](C)CCC[C@@H]1C)NC1CC1 ZINC000045231841 175335739 /nfs/dbraw/zinc/33/57/39/175335739.db2.gz SEMORHGQILERNZ-XEZPLFJOSA-N 1 0 282.428 2.323 10 0 CEAERO CCC[N@H+](C)C[C@@](NC(C)C)(C(=O)OC)c1ccccc1 ZINC000045264340 175338247 /nfs/dbraw/zinc/33/82/47/175338247.db2.gz QYUNVOOFLBILMZ-KRWDZBQOSA-N 1 0 292.423 2.395 10 0 CEAERO CCOC(=O)[C@](N)(C[N@H+](CC)C(C)C)c1ccccc1 ZINC000045265374 175338273 /nfs/dbraw/zinc/33/82/73/175338273.db2.gz IVVHLVMFFBRLFT-INIZCTEOSA-N 1 0 278.396 2.134 10 0 CEAERO CCOC(=O)[C@@](C)(CC[N@H+](C)C1CCCC1)NC1CC1 ZINC000045266296 175338771 /nfs/dbraw/zinc/33/87/71/175338771.db2.gz UZCPVRSNNJRVRP-MRXNPFEDSA-N 1 0 282.428 2.325 10 0 CEAERO CCN[C@@](C)(C[N@H+](CC)[C@@H](C)CC)C(=O)OCC ZINC000045266440 175339459 /nfs/dbraw/zinc/33/94/59/175339459.db2.gz OMPXVRMRUTYEAO-JSGCOSHPSA-N 1 0 258.406 2.038 10 0 CEAERO CCN[C@](C[N@H+](CC)C1CC1)(C(=O)OC)c1ccccc1 ZINC000045267079 175340009 /nfs/dbraw/zinc/34/00/09/175340009.db2.gz MNFWGRGUWPFBOJ-KRWDZBQOSA-N 1 0 290.407 2.149 10 0 CEAERO CCCN[C@@](C)(C[N@H+](CC)C1CCCC1)C(=O)OC ZINC000045269224 175340796 /nfs/dbraw/zinc/34/07/96/175340796.db2.gz RHVVIJZNUFARKJ-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CC[NH2+][C@](C)(CC[N@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000045271956 175342327 /nfs/dbraw/zinc/34/23/27/175342327.db2.gz GOGKQVPTCHVGKJ-OAHLLOKOSA-N 1 0 270.417 2.484 10 0 CEAERO COC(=O)[C@](C)(CC[N@H+](C)[C@@H](C)C(C)(C)C)NC1CC1 ZINC000045274860 175345123 /nfs/dbraw/zinc/34/51/23/175345123.db2.gz DOKIYIIRNFATKC-LRDDRELGSA-N 1 0 284.444 2.427 10 0 CEAERO CCN[C@](C)(CC[N@H+](CC(C)C)C1CC1)C(=O)OC ZINC000045277559 175347093 /nfs/dbraw/zinc/34/70/93/175347093.db2.gz FWZOMPMRFMVDOA-OAHLLOKOSA-N 1 0 270.417 2.038 10 0 CEAERO CCCN[C@@](C)(C[N@H+](C)[C@@H]1CCCC[C@@H]1C)C(=O)OC ZINC000045279021 175349634 /nfs/dbraw/zinc/34/96/34/175349634.db2.gz COJROOUVDYROSM-LZWOXQAQSA-N 1 0 284.444 2.428 10 0 CEAERO CC[NH2+][C@](C)(CC[N@H+](C)[C@@H](C)CC(C)C)C(=O)[O-] ZINC000045279988 175349891 /nfs/dbraw/zinc/34/98/91/175349891.db2.gz SXLBRGIPPLKMKG-GXTWGEPZSA-N 1 0 258.406 2.196 10 0 CEAERO COC(=O)[C@@](N)(C[N@H+](CC(C)C)C(C)C)c1ccccc1 ZINC000045280646 175350710 /nfs/dbraw/zinc/35/07/10/175350710.db2.gz XPCGJKZCONFMBS-QGZVFWFLSA-N 1 0 292.423 2.380 10 0 CEAERO CCC1CCC([N@H+](C)C[C@](C)(NC(C)C)C(N)=O)CC1 ZINC000045281117 175351980 /nfs/dbraw/zinc/35/19/80/175351980.db2.gz ZASMNATYTPOYFW-XUJLQICISA-N 1 0 283.460 2.129 10 0 CEAERO CCN(CCCC[C@@](C)([NH2+]C)C(N)=O)c1ccccc1C ZINC000045369890 175363653 /nfs/dbraw/zinc/36/36/53/175363653.db2.gz HSLWCISWSJYWBE-QGZVFWFLSA-N 1 0 291.439 2.455 10 0 CEAERO CCOC(=O)[C@](C)(N)CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000045373282 175364739 /nfs/dbraw/zinc/36/47/39/175364739.db2.gz SZAPGRDBHGYSPD-IJEWVQPXSA-N 1 0 284.444 2.415 10 0 CEAERO CCN[C@](C)(CCCC[NH+]1CCCC1)C(=O)OCC ZINC000045375262 175366149 /nfs/dbraw/zinc/36/61/49/175366149.db2.gz WAPMSKQNWYWMBP-OAHLLOKOSA-N 1 0 270.417 2.184 10 0 CEAERO CCOC(=O)[C@@](C)(CCCC[NH+](CC)CC)NC ZINC000045375836 175366213 /nfs/dbraw/zinc/36/62/13/175366213.db2.gz MLAMOOVQPCPQMP-CQSZACIVSA-N 1 0 258.406 2.040 10 0 CEAERO CCOC(=O)[C@](C)(CCC[NH+]1CCCCCC1)NC ZINC000045377523 175367143 /nfs/dbraw/zinc/36/71/43/175367143.db2.gz JVHFCBXISQKVTN-HNNXBMFYSA-N 1 0 270.417 2.184 10 0 CEAERO CCCN[C@@](C)(CCC[N@H+](C)C(C)C)C(=O)OCC ZINC000045378079 175367737 /nfs/dbraw/zinc/36/77/37/175367737.db2.gz MZUNZNXWGRPIMJ-HNNXBMFYSA-N 1 0 272.433 2.428 10 0 CEAERO CCN[C@@](C)(CCC[N@H+](C)C(C)C)C(=O)OCC ZINC000045378067 175367787 /nfs/dbraw/zinc/36/77/87/175367787.db2.gz CMELWNDBJTXZFO-AWEZNQCLSA-N 1 0 258.406 2.038 10 0 CEAERO CCOC(=O)[C@@](C)(N)CCC[N@@H+]1CCc2ccccc2C1 ZINC000045378781 175368631 /nfs/dbraw/zinc/36/86/31/175368631.db2.gz IBVCWSNWFVNNLV-KRWDZBQOSA-N 1 0 290.407 2.105 10 0 CEAERO CCCC[NH+](CCCC)C[C@H](NC)C(=O)OCC ZINC000045380499 175368835 /nfs/dbraw/zinc/36/88/35/175368835.db2.gz DEQMMUCVZIHZCV-ZDUSSCGKSA-N 1 0 258.406 2.040 10 0 CEAERO CCOC(=O)[C@](C)(CCC[N@H+](C)[C@@H](C)CC)NC ZINC000045381409 175370167 /nfs/dbraw/zinc/37/01/67/175370167.db2.gz GAOJYPWGSSWKSV-JSGCOSHPSA-N 1 0 258.406 2.038 10 0 CEAERO CCC[N@H+](C)CCCC[C@@](C)(NC(C)C)C(=O)OC ZINC000045382220 175370950 /nfs/dbraw/zinc/37/09/50/175370950.db2.gz GGNPRCLGSRQQMR-OAHLLOKOSA-N 1 0 272.433 2.428 10 0 CEAERO CCOC(=O)[C@](C)(CCCC[N@H+](C)C1CC1)NC1CC1 ZINC000045383257 175371487 /nfs/dbraw/zinc/37/14/87/175371487.db2.gz SUOLTYZREIAOFP-INIZCTEOSA-N 1 0 282.428 2.325 10 0 CEAERO CCC[NH2+][C@](C)(CCC[N@H+](C)[C@@H](C)C1CC1)C(=O)[O-] ZINC000045392945 175375890 /nfs/dbraw/zinc/37/58/90/175375890.db2.gz DWGOKPAZCKNNEJ-SWLSCSKDSA-N 1 0 270.417 2.340 10 0 CEAERO COC(=O)[C@](C)(CCC[N@H+](C)CC1CC1)NC(C)C ZINC000045419973 175377638 /nfs/dbraw/zinc/37/76/38/175377638.db2.gz RCSSAPCJQJLBHA-HNNXBMFYSA-N 1 0 270.417 2.038 10 0 CEAERO CN1C[C@H](C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC1=O ZINC000658241684 415273474 /nfs/dbraw/zinc/27/34/74/415273474.db2.gz YSPZEFCCENXUSW-MEDUHNTESA-N 1 0 276.355 2.345 10 0 CEAERO Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H]2CC(=O)N(C)C2)c1 ZINC000658246138 415280029 /nfs/dbraw/zinc/28/00/29/415280029.db2.gz XYVOYQGHUHOPSA-ZIAGYGMSSA-N 1 0 260.381 2.432 10 0 CEAERO C[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1nccn1C)c1ccncc1 ZINC000658276179 415294449 /nfs/dbraw/zinc/29/44/49/415294449.db2.gz GXUFSYSZOWNUAI-AEGPPILISA-N 1 0 286.379 2.244 10 0 CEAERO COc1ccc2c(c1)CN(C(=O)[C@@]1(C)CCCC[NH2+]1)C2 ZINC000655502647 415311634 /nfs/dbraw/zinc/31/16/34/415311634.db2.gz RYGSVUJIZWRBOF-MRXNPFEDSA-N 1 0 274.364 2.070 10 0 CEAERO CC1CC(C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)C1 ZINC000658940986 415367052 /nfs/dbraw/zinc/36/70/52/415367052.db2.gz BWRPOTCDCGMXBI-SHWKFHJASA-N 1 0 264.413 2.413 10 0 CEAERO CC[NH2+]Cc1sc(N2CCCOCC2)nc1CC ZINC000061937053 175658449 /nfs/dbraw/zinc/65/84/49/175658449.db2.gz CAXIJVJJSCRHCV-UHFFFAOYSA-N 1 0 269.414 2.042 10 0 CEAERO COCCNC(=[NH2+])Cc1cccc(Br)c1 ZINC000062995084 175680120 /nfs/dbraw/zinc/68/01/20/175680120.db2.gz GOHNOPJQXODCTD-UHFFFAOYSA-N 1 0 271.158 2.205 10 0 CEAERO O[C@H](COCc1ccccc1)C[NH+]1CCCCCC1 ZINC000068048016 175806003 /nfs/dbraw/zinc/80/60/03/175806003.db2.gz ZRTPVJVBBIQYEV-INIZCTEOSA-N 1 0 263.381 2.440 10 0 CEAERO CC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000659387271 415557370 /nfs/dbraw/zinc/55/73/70/415557370.db2.gz YDFWXZSHANUUPL-ZVLQPQRZSA-N 1 0 250.386 2.151 10 0 CEAERO CCC1CC[NH+]([C@]2(CN)CCOC(C)(C)C2)CC1 ZINC000070364223 175891861 /nfs/dbraw/zinc/89/18/61/175891861.db2.gz HJRJHQHXPWWMRY-OAHLLOKOSA-N 1 0 254.418 2.395 10 0 CEAERO CC[C@H]1C[C@@](C[NH3+])(N(C)Cc2csc(C)n2)CCO1 ZINC000070365342 175894274 /nfs/dbraw/zinc/89/42/74/175894274.db2.gz CEMOSNPDBZBVMO-KBPBESRZSA-N 1 0 283.441 2.170 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc2c(cc1O[C@@H](C)COC)OCO2 ZINC000070378243 175900439 /nfs/dbraw/zinc/90/04/39/175900439.db2.gz FAWSGENFFUJDKX-CMPLNLGQSA-N 1 0 281.352 2.109 10 0 CEAERO C[C@H]1CN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)C[C@H](C)S1 ZINC000070386621 175904685 /nfs/dbraw/zinc/90/46/85/175904685.db2.gz WFSFNDGLAXQFMP-SLEUVZQESA-N 1 0 290.432 2.053 10 0 CEAERO Nc1cc[nH+]cc1C[C@H](O)c1cc2c(c(Cl)c1)OCO2 ZINC000070400241 175910195 /nfs/dbraw/zinc/91/01/95/175910195.db2.gz RRYNKDKBTJRBEH-LBPRGKRZSA-N 1 0 292.722 2.322 10 0 CEAERO Nc1cc[nH+]cc1C[C@H](O)c1cc(F)cc(F)c1 ZINC000070400521 175910453 /nfs/dbraw/zinc/91/04/53/175910453.db2.gz DVBYWRGCSDVVMF-ZDUSSCGKSA-N 1 0 250.248 2.218 10 0 CEAERO C[NH2+][C@@H](Cc1ccc(F)cc1)Cc1cccnc1N ZINC000070407143 175913551 /nfs/dbraw/zinc/91/35/51/175913551.db2.gz GCYXSOMSPASDQI-AWEZNQCLSA-N 1 0 259.328 2.176 10 0 CEAERO C[C@@H]1CCC[C@](CNc2nncs2)([NH+](C)C)C1 ZINC000070426532 175923067 /nfs/dbraw/zinc/92/30/67/175923067.db2.gz FBTFQERAQGBCCS-PWSUYJOCSA-N 1 0 254.403 2.461 10 0 CEAERO COCCOCC[C@@]1(C[NH3+])CCCc2ccccc21 ZINC000070483220 175953680 /nfs/dbraw/zinc/95/36/80/175953680.db2.gz OYOOXWGQSKRGRS-MRXNPFEDSA-N 1 0 263.381 2.273 10 0 CEAERO Cc1cccc2c1N(C[C@@H](C)C[NH2+]C(C)C)C(=O)C2=O ZINC000070527330 175971518 /nfs/dbraw/zinc/97/15/18/175971518.db2.gz JIVFFCKNPWGVIL-NSHDSACASA-N 1 0 274.364 2.158 10 0 CEAERO [NH3+]Cc1ccn(Cc2sccc2Br)n1 ZINC000070708215 176002471 /nfs/dbraw/zinc/00/24/71/176002471.db2.gz QWJNBDKAOFWBGE-UHFFFAOYSA-N 1 0 272.171 2.214 10 0 CEAERO [NH3+]Cc1ccn(Cc2cccc(Br)c2)n1 ZINC000070708210 176002614 /nfs/dbraw/zinc/00/26/14/176002614.db2.gz CUUKXSAGHIUGID-UHFFFAOYSA-N 1 0 266.142 2.153 10 0 CEAERO O=C(Nc1nnc(CC2CCCCC2)s1)[C@@H]1CCC[NH2+]1 ZINC000070851124 176008955 /nfs/dbraw/zinc/00/89/55/176008955.db2.gz SMCBJYXQQGIXTB-NSHDSACASA-N 1 0 294.424 2.351 10 0 CEAERO CCN(c1ccc(Br)cn1)[C@H]1CC[NH2+]C1 ZINC000070917470 176011714 /nfs/dbraw/zinc/01/17/14/176011714.db2.gz KGVOFNXPYHOWNQ-JTQLQIEISA-N 1 0 270.174 2.032 10 0 CEAERO CCOC(=O)CN(C[C@H](C[NH3+])c1ccccc1)C(C)C ZINC000070941112 176014569 /nfs/dbraw/zinc/01/45/69/176014569.db2.gz JBTCZQCWHPAUPR-HNNXBMFYSA-N 1 0 278.396 2.002 10 0 CEAERO [NH3+]CCN(C(=O)[C@@H]1CCOc2ccccc21)C1CCCC1 ZINC000070943520 176016695 /nfs/dbraw/zinc/01/66/95/176016695.db2.gz ADZGFZVOVTYZJK-OAHLLOKOSA-N 1 0 288.391 2.283 10 0 CEAERO Cc1ccc(F)c(C(=O)N(CC[NH3+])C2CCCC2)c1 ZINC000070943678 176016821 /nfs/dbraw/zinc/01/68/21/176016821.db2.gz CCBYEDFLVHVMHD-UHFFFAOYSA-N 1 0 264.344 2.478 10 0 CEAERO CCc1ccc([C@@H]2[C@@H]([NH3+])CCC(=O)N2C2CC2)s1 ZINC000070987205 176018708 /nfs/dbraw/zinc/01/87/08/176018708.db2.gz JNHBMTKHOWVMHI-FZMZJTMJSA-N 1 0 264.394 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CCCn1cc(Cl)cc1C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000071142845 176040692 /nfs/dbraw/zinc/04/06/92/176040692.db2.gz JPDPTNCZDXODFM-NSHDSACASA-N 1 0 283.803 2.233 10 0 CEAERO CCCn1cc(Cl)cc1C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000071142843 176040793 /nfs/dbraw/zinc/04/07/93/176040793.db2.gz JPDPTNCZDXODFM-LLVKDONJSA-N 1 0 283.803 2.233 10 0 CEAERO CC[C@H]1CCCC[C@]1(C[NH3+])N1CCOC(C)(C)C1 ZINC000071161682 176046031 /nfs/dbraw/zinc/04/60/31/176046031.db2.gz YHGFTGBQXCWXIA-DZGCQCFKSA-N 1 0 254.418 2.395 10 0 CEAERO CC[C@H]1CCCC[C@]1(C[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000071161475 176046131 /nfs/dbraw/zinc/04/61/31/176046131.db2.gz XFPSLLVWCQRCLS-LJISPDSOSA-N 1 0 254.418 2.393 10 0 CEAERO CC[C@H]1CCCC[C@]1(C[NH3+])N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071162242 176046330 /nfs/dbraw/zinc/04/63/30/176046330.db2.gz RTFZFIGXCBZJJC-OWCLPIDISA-N 1 0 267.461 2.168 10 0 CEAERO CCCc1nc([C@@](C)([NH3+])Cc2ccc(OC)cc2)no1 ZINC000071169888 176050390 /nfs/dbraw/zinc/05/03/90/176050390.db2.gz JOAFFTIVTODVPN-HNNXBMFYSA-N 1 0 275.352 2.447 10 0 CEAERO COc1cncc(N(CCC[NH3+])c2cccc(F)c2)n1 ZINC000071175743 176054451 /nfs/dbraw/zinc/05/44/51/176054451.db2.gz GLZICIPCZUSHBV-UHFFFAOYSA-N 1 0 276.315 2.111 10 0 CEAERO CCCOc1cncc(N[C@@H](C)[C@H]2CCC[NH2+]C2)n1 ZINC000071176061 176054924 /nfs/dbraw/zinc/05/49/24/176054924.db2.gz WCMCEWXPNGZGFF-RYUDHWBXSA-N 1 0 264.373 2.065 10 0 CEAERO CC(C)Oc1cncc(OCC[C@H]2CCCC[NH2+]2)n1 ZINC000071176724 176055256 /nfs/dbraw/zinc/05/52/56/176055256.db2.gz GDJAWYQDICLAPS-GFCCVEGCSA-N 1 0 265.357 2.175 10 0 CEAERO CCCOc1cncc(N[C@@H]2c3ccccc3C[C@@H]2[NH3+])n1 ZINC000071177457 176055354 /nfs/dbraw/zinc/05/53/54/176055354.db2.gz VURQSOKZBHBIKG-XJKSGUPXSA-N 1 0 284.363 2.302 10 0 CEAERO [NH3+]Cc1cnc(Oc2cccc3cccnc32)cn1 ZINC000071178341 176055744 /nfs/dbraw/zinc/05/57/44/176055744.db2.gz NEBZHVGWECPKGA-UHFFFAOYSA-N 1 0 252.277 2.276 10 0 CEAERO CN1CC[C@H](Oc2c(Cl)cc(Cl)cc2C[NH3+])C1=O ZINC000071183004 176057896 /nfs/dbraw/zinc/05/78/96/176057896.db2.gz YPBVBDRQNGJFNU-JTQLQIEISA-N 1 0 289.162 2.062 10 0 CEAERO CC[NH2+]Cc1cc(Cl)ccc1O[C@@H]1CCN(C)C1=O ZINC000071182834 176058020 /nfs/dbraw/zinc/05/80/20/176058020.db2.gz GYYUZRJINNAGJF-CYBMUJFWSA-N 1 0 282.771 2.059 10 0 CEAERO CCC[NH2+][C@@H]1CCc2c1cccc2O[C@@H]1CCN(C)C1=O ZINC000071183208 176058601 /nfs/dbraw/zinc/05/86/01/176058601.db2.gz DYEDYJUJYUNHKQ-GDBMZVCRSA-N 1 0 288.391 2.283 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccc(O[C@@H]2CCN(C)C2=O)c(Cl)c1 ZINC000071184856 176059881 /nfs/dbraw/zinc/05/98/81/176059881.db2.gz FGPOGPFSMYBGLS-BXUZGUMPSA-N 1 0 296.798 2.229 10 0 CEAERO O=C1CCCCN1[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC000071187306 176060809 /nfs/dbraw/zinc/06/08/09/176060809.db2.gz IQEMXUUFEDBSGS-ZDUSSCGKSA-N 1 0 250.386 2.454 10 0 CEAERO CN1CC[C@@H](C[N@H+](C)CCC(=O)c2ccccc2)C1 ZINC000071191219 176069684 /nfs/dbraw/zinc/06/96/84/176069684.db2.gz DIRFKZRZBOAWNG-CQSZACIVSA-N 1 0 260.381 2.143 10 0 CEAERO CC[NH2+][C@@H]1CCCN(CCc2ccc(OC)cc2)C1 ZINC000071197899 176076929 /nfs/dbraw/zinc/07/69/29/176076929.db2.gz KOWJUNGQZNOGGL-OAHLLOKOSA-N 1 0 262.397 2.312 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN(CCOC2CCCCC2)C1 ZINC000071199913 176077015 /nfs/dbraw/zinc/07/70/15/176077015.db2.gz RXGNSXXXDJUBDW-CQSZACIVSA-N 1 0 254.418 2.408 10 0 CEAERO COc1ccc(CN2CC[C@@H]([NH2+]C3CC3)C2)cc1OC ZINC000071199117 176077229 /nfs/dbraw/zinc/07/72/29/176077229.db2.gz KZBALOTVAUWEHB-CQSZACIVSA-N 1 0 276.380 2.030 10 0 CEAERO CCOC(=O)c1ncsc1NCC1CC[NH+](CC)CC1 ZINC000071202128 176078328 /nfs/dbraw/zinc/07/83/28/176078328.db2.gz XDYXZGWTKGYICJ-UHFFFAOYSA-N 1 0 297.424 2.464 10 0 CEAERO COCC[N@H+](CCC(N)=S)Cc1cc(F)ccc1F ZINC000071225485 176089097 /nfs/dbraw/zinc/08/90/97/176089097.db2.gz MPJIQDFZRGZZLH-UHFFFAOYSA-N 1 0 288.363 2.089 10 0 CEAERO CN(Cc1cscn1)Cc1ccc(F)cc1C[NH3+] ZINC000071263545 176096958 /nfs/dbraw/zinc/09/69/58/176096958.db2.gz ZAFCBLNEPKYOPU-UHFFFAOYSA-N 1 0 265.357 2.373 10 0 CEAERO Cn1ccnc1SCc1ccc(F)cc1C(N)=[NH2+] ZINC000071268359 176102450 /nfs/dbraw/zinc/10/24/50/176102450.db2.gz VIXKVFHGCZVWOC-UHFFFAOYSA-N 1 0 264.329 2.136 10 0 CEAERO CCOC(=O)CCCCC[N@H+](CC)[C@@H](C)COC ZINC000071293303 176111654 /nfs/dbraw/zinc/11/16/54/176111654.db2.gz YLUOUJFWGWZGFL-ZDUSSCGKSA-N 1 0 259.390 2.467 10 0 CEAERO CC(C)[N@H+](C)CCCC[NH2+]CCCCCC(=O)[O-] ZINC000071293992 176111672 /nfs/dbraw/zinc/11/16/72/176111672.db2.gz MBIOAPRUVXHLDP-UHFFFAOYSA-N 1 0 258.406 2.341 10 0 CEAERO CCOC(=O)CCCCC[NH2+][C@H]1CCCC[C@@H]1O ZINC000071297290 176112085 /nfs/dbraw/zinc/11/20/85/176112085.db2.gz DUJOLILZHVOPDG-STQMWFEESA-N 1 0 257.374 2.003 10 0 CEAERO CCCN(CCCCCC(=O)OCC)[C@H]1CC[NH2+]C1 ZINC000071297801 176112920 /nfs/dbraw/zinc/11/29/20/176112920.db2.gz DKLUUVGXUGEWBE-AWEZNQCLSA-N 1 0 270.417 2.184 10 0 CEAERO COCc1cc([C@H](C)[NH2+]C[C@H](O)C2CC2)ccc1OC ZINC000071301009 176114041 /nfs/dbraw/zinc/11/40/41/176114041.db2.gz FELUSRZKGVYNIS-NHYWBVRUSA-N 1 0 279.380 2.263 10 0 CEAERO O[C@@H](C[NH2+]Cc1ccccc1N1CCCC1)C1CC1 ZINC000071301709 176114431 /nfs/dbraw/zinc/11/44/31/176114431.db2.gz DWOCANZJGJKHIT-INIZCTEOSA-N 1 0 260.381 2.147 10 0 CEAERO COc1ccc(OC)c([C@@H]2C[NH2+]C[C@H](C3CC3)O2)c1 ZINC000071308632 176116042 /nfs/dbraw/zinc/11/60/42/176116042.db2.gz LJALLVFLBRDTAS-CABCVRRESA-N 1 0 263.337 2.143 10 0 CEAERO CCc1ccc(C(=O)N(CC)[C@@H]2CC[NH2+]C2)s1 ZINC000071312411 176119184 /nfs/dbraw/zinc/11/91/84/176119184.db2.gz WAEZBKUBNWZPPO-SNVBAGLBSA-N 1 0 252.383 2.135 10 0 CEAERO CCCN(C(=O)c1cccn1C1CC1)[C@@H]1CC[NH2+]C1 ZINC000071315386 176121773 /nfs/dbraw/zinc/12/17/73/176121773.db2.gz AZWDDVMGWBPRFT-CYBMUJFWSA-N 1 0 261.369 2.037 10 0 CEAERO CCCN(Cc1cc(C(C)=O)ccc1OC)[C@H]1CC[NH2+]C1 ZINC000071330741 176124268 /nfs/dbraw/zinc/12/42/68/176124268.db2.gz JJKXRFMOLDAVAE-INIZCTEOSA-N 1 0 290.407 2.472 10 0 CEAERO CCCN(c1ccc(C(N)=O)c(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000071332382 176125597 /nfs/dbraw/zinc/12/55/97/176125597.db2.gz QUIMFEBVYBCMBA-NSHDSACASA-N 1 0 281.787 2.017 10 0 CEAERO CC(C)(C)OC(=O)N1CC(NCCC[NH+]2CCCCC2)C1 ZINC000071335370 176127099 /nfs/dbraw/zinc/12/70/99/176127099.db2.gz 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/nfs/dbraw/zinc/13/26/54/176132654.db2.gz LCDJSJOONNRJIX-BBRMVZONSA-N 1 0 276.428 2.465 10 0 CEAERO CC(C)(C)[C@@H]1C[N@H+](CCCn2ccnc2)C(C)(C)CN1 ZINC000071348291 176132666 /nfs/dbraw/zinc/13/26/66/176132666.db2.gz CMRRIGXHUNSIGL-AWEZNQCLSA-N 1 0 278.444 2.372 10 0 CEAERO OCC[N@@H+]1CCCN(c2ccccc2C(F)(F)F)CC1 ZINC000071349698 176133807 /nfs/dbraw/zinc/13/38/07/176133807.db2.gz YCKIFTNLUVWGJL-UHFFFAOYSA-N 1 0 288.313 2.210 10 0 CEAERO CC(C)OCCN1C[C@@H](Cc2ccccc2)[NH2+]C[C@@H]1C ZINC000071352428 176135470 /nfs/dbraw/zinc/13/54/70/176135470.db2.gz CEBOQBNSYGOOAD-DOTOQJQBSA-N 1 0 276.424 2.316 10 0 CEAERO C[C@H]1C[NH2+][C@@H](Cc2ccccc2)CN1C[C@@H]1CCCCO1 ZINC000071352536 176135482 /nfs/dbraw/zinc/13/54/82/176135482.db2.gz MWUPUGRBBSXNQV-SZMVWBNQSA-N 1 0 288.435 2.461 10 0 CEAERO CC[C@@H]1C[NH2+][C@](C)(CC)CN1CCOCC(F)(F)F ZINC000071356592 176137019 /nfs/dbraw/zinc/13/70/19/176137019.db2.gz KLVILLPNSRZAQT-VXGBXAGGSA-N 1 0 282.350 2.418 10 0 CEAERO CC(C)CCOCCSc1nnc(C[NH3+])n1C(C)C ZINC000071374556 176139679 /nfs/dbraw/zinc/13/96/79/176139679.db2.gz JTMYDWGVKFZNQY-UHFFFAOYSA-N 1 0 286.445 2.473 10 0 CEAERO C[N@H+](CCNC(=O)c1ccc(N)c(F)c1)C1CCCC1 ZINC000071376495 176141242 /nfs/dbraw/zinc/14/12/42/176141242.db2.gz XEIWKEJGVQRMBO-UHFFFAOYSA-N 1 0 279.359 2.012 10 0 CEAERO Nc1ccn(CC[N@@H+]2CCC[C@@H]2c2ccccc2)n1 ZINC000071377915 176142829 /nfs/dbraw/zinc/14/28/29/176142829.db2.gz YXQKNYWNWQGQGI-CQSZACIVSA-N 1 0 256.353 2.302 10 0 CEAERO C[N@H+](CCNc1cc(C(N)=S)ccn1)C1CCCC1 ZINC000071379272 176143543 /nfs/dbraw/zinc/14/35/43/176143543.db2.gz BDZQNUNYXIBITO-UHFFFAOYSA-N 1 0 278.425 2.002 10 0 CEAERO C[N@H+](CCN1Cc2ccc(N)cc2C1)C1CCCC1 ZINC000071379064 176143652 /nfs/dbraw/zinc/14/36/52/176143652.db2.gz KGJQTLRFQHMJON-UHFFFAOYSA-N 1 0 259.397 2.459 10 0 CEAERO Cc1ccc(N)c(C(=O)NCCC[NH+]2CCCCC2)c1 ZINC000071382934 176146273 /nfs/dbraw/zinc/14/62/73/176146273.db2.gz RFFZDUDPTXODSX-UHFFFAOYSA-N 1 0 275.396 2.183 10 0 CEAERO Cn1cc(Sc2nc3ccccc3cc2C(N)=[NH2+])cn1 ZINC000071390479 176148281 /nfs/dbraw/zinc/14/82/81/176148281.db2.gz NBTYFVCLQLYNTQ-UHFFFAOYSA-N 1 0 283.360 2.404 10 0 CEAERO C[C@@H]1CN(c2nc3ccccc3cc2C(N)=[NH2+])CCCO1 ZINC000071390224 176148305 /nfs/dbraw/zinc/14/83/05/176148305.db2.gz JUQUFGGISBWFLL-LLVKDONJSA-N 1 0 284.363 2.134 10 0 CEAERO CN(c1nc2ccccc2cc1C(N)=[NH2+])C1CCOCC1 ZINC000071390078 176148435 /nfs/dbraw/zinc/14/84/35/176148435.db2.gz ARVLTBUGQSYMDL-UHFFFAOYSA-N 1 0 284.363 2.134 10 0 CEAERO CCNC(=O)[C@@H](C)Oc1ccc(C[NH3+])cc1C(F)(F)F ZINC000071398410 176151810 /nfs/dbraw/zinc/15/18/10/176151810.db2.gz COOUTBOWBNKKIG-MRVPVSSYSA-N 1 0 290.285 2.068 10 0 CEAERO Cc1ccc(O[C@@H](C)C(=O)N2CCCCC2)c(C[NH3+])c1 ZINC000071403400 176155015 /nfs/dbraw/zinc/15/50/15/176155015.db2.gz SBWAZNOVYZWCEU-ZDUSSCGKSA-N 1 0 276.380 2.234 10 0 CEAERO C[NH2+]Cc1cc(C)ccc1O[C@H](C)C(=O)N1CCCCC1 ZINC000071403702 176155276 /nfs/dbraw/zinc/15/52/76/176155276.db2.gz BFPWYDQGEAQMJO-CQSZACIVSA-N 1 0 290.407 2.494 10 0 CEAERO CCNC(=O)[C@H](C)Oc1ccc(C)cc1C[NH2+]CC ZINC000071406064 176155904 /nfs/dbraw/zinc/15/59/04/176155904.db2.gz UYQXXDWKMYEFML-LBPRGKRZSA-N 1 0 264.369 2.008 10 0 CEAERO CNC(=O)CCOc1ccc(C)cc1C[NH2+]C(C)C ZINC000071406549 176155939 /nfs/dbraw/zinc/15/59/39/176155939.db2.gz BQMCUYJWLYEXEF-UHFFFAOYSA-N 1 0 264.369 2.008 10 0 CEAERO CCCNC(=O)COc1ccc(C)cc1C[NH2+]CCC ZINC000071406387 176156006 /nfs/dbraw/zinc/15/60/06/176156006.db2.gz XTBIFFWRBLLFRW-UHFFFAOYSA-N 1 0 278.396 2.400 10 0 CEAERO CC[NH2+]Cc1cc(C)ccc1OCC(=O)NC(C)(C)C ZINC000071406094 176156036 /nfs/dbraw/zinc/15/60/36/176156036.db2.gz NBOKVSOKYHEFPU-UHFFFAOYSA-N 1 0 278.396 2.398 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc(C)ccc1O[C@@H](C)C(=O)OC ZINC000071412159 176157629 /nfs/dbraw/zinc/15/76/29/176157629.db2.gz ZDWMWMHESNCJMH-WCQYABFASA-N 1 0 265.353 2.215 10 0 CEAERO Cc1ccncc1NC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000071414037 176159359 /nfs/dbraw/zinc/15/93/59/176159359.db2.gz WDJIDQCVYKULAU-ZDUSSCGKSA-N 1 0 255.321 2.071 10 0 CEAERO Cc1ccncc1NC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000071414241 176159485 /nfs/dbraw/zinc/15/94/85/176159485.db2.gz RVSKRWQPTOXUGT-HNNXBMFYSA-N 1 0 255.321 2.203 10 0 CEAERO CCCOc1cccn(CC[NH+]2CCCCC2)c1=O ZINC000071501653 176192564 /nfs/dbraw/zinc/19/25/64/176192564.db2.gz GDHJWMJYPNYHHN-UHFFFAOYSA-N 1 0 264.369 2.123 10 0 CEAERO COc1cc([C@@H](O)C[NH2+]C(C)C)c(OC)cc1C ZINC000071574792 176201756 /nfs/dbraw/zinc/20/17/56/176201756.db2.gz QNWFAIKGLFLEID-LBPRGKRZSA-N 1 0 253.342 2.044 10 0 CEAERO CN(CC(C)(C)[NH3+])c1cncc(Br)c1 ZINC000656608735 415784780 /nfs/dbraw/zinc/78/47/80/415784780.db2.gz HOQHBVJPYIIZPH-UHFFFAOYSA-N 1 0 258.163 2.018 10 0 CEAERO CC[C@@H]([NH2+]C)C(=O)N[C@H](C)c1cc(C)ccc1OC ZINC000662355910 415798054 /nfs/dbraw/zinc/79/80/54/415798054.db2.gz NBCUGYXSOFMSTN-DGCLKSJQSA-N 1 0 264.369 2.179 10 0 CEAERO CC[C@@H]([NH2+]C)C(=O)N[C@@H](C)c1cc(F)ccc1F ZINC000662378571 415814085 /nfs/dbraw/zinc/81/40/85/415814085.db2.gz AESCKCMOVKXBQH-QPUJVOFHSA-N 1 0 256.296 2.140 10 0 CEAERO CC[C@@H](C[NH3+])NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000074404934 176541740 /nfs/dbraw/zinc/54/17/40/176541740.db2.gz NMSKQCNGSMHDKK-ZETCQYMHSA-N 1 0 297.207 2.009 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)N1CCC(C2CCC2)CC1 ZINC000662631836 415913699 /nfs/dbraw/zinc/91/36/99/415913699.db2.gz YUUYJWOKRWEMBF-CQSZACIVSA-N 1 0 252.402 2.399 10 0 CEAERO O=C([C@H]1CCCO1)N1CCC([NH+]2CCCCCC2)CC1 ZINC000074582199 176589439 /nfs/dbraw/zinc/58/94/39/176589439.db2.gz CANRTHVQMMGNCY-OAHLLOKOSA-N 1 0 280.412 2.032 10 0 CEAERO CC[C@H]([NH2+]C)C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000662480273 415860172 /nfs/dbraw/zinc/86/01/72/415860172.db2.gz JFSFBTIVNRWPBY-WDEREUQCSA-N 1 0 267.398 2.195 10 0 CEAERO CCC1(CC)CCCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000662694202 415931905 /nfs/dbraw/zinc/93/19/05/415931905.db2.gz YCFLZWPLBHVYNZ-NWDGAFQWSA-N 1 0 256.365 2.115 10 0 CEAERO C[NH2+]CCOCCc1ccc(Br)s1 ZINC000076365027 177004045 /nfs/dbraw/zinc/00/40/45/177004045.db2.gz CUGHUSBSOQUEPA-UHFFFAOYSA-N 1 0 264.188 2.289 10 0 CEAERO C[NH2+]CCC(=O)N[C@@H](C)c1ccc(OC)c(C)c1C ZINC000076369159 177006449 /nfs/dbraw/zinc/00/64/49/177006449.db2.gz LECPFFYLCRQFCO-LBPRGKRZSA-N 1 0 264.369 2.099 10 0 CEAERO [NH3+]CC[C@@H](C(=O)NCc1ccccc1)c1ccco1 ZINC000076665702 177050901 /nfs/dbraw/zinc/05/09/01/177050901.db2.gz VNTOTOJMSMFEGE-CYBMUJFWSA-N 1 0 258.321 2.028 10 0 CEAERO COc1cccc(OC[C@@H](C[NH3+])c2ccncc2)c1 ZINC000076666184 177050973 /nfs/dbraw/zinc/05/09/73/177050973.db2.gz DVUVOHCRQCOCJL-CYBMUJFWSA-N 1 0 258.321 2.212 10 0 CEAERO [NH3+]CCN(Cc1cccc(F)c1)Cc1ccccn1 ZINC000076668718 177052471 /nfs/dbraw/zinc/05/24/71/177052471.db2.gz FHQBLWRNOPJJLT-UHFFFAOYSA-N 1 0 259.328 2.182 10 0 CEAERO COc1cccc([C@@H](CC[NH3+])C(=O)NC(C)(C)C)c1 ZINC000076679949 177057750 /nfs/dbraw/zinc/05/77/50/177057750.db2.gz JHEXLOWEMKRVGR-CYBMUJFWSA-N 1 0 264.369 2.042 10 0 CEAERO C[NH2+][C@H](C)c1cn2c(cccc2Br)n1 ZINC000076792319 177097082 /nfs/dbraw/zinc/09/70/82/177097082.db2.gz YGNPXBPXJHTPNR-SSDOTTSWSA-N 1 0 254.131 2.377 10 0 CEAERO C[NH2+][C@H](C)c1cn2ccc(Br)cc2n1 ZINC000076792945 177097739 /nfs/dbraw/zinc/09/77/39/177097739.db2.gz CSCMLYJUTALYPJ-SSDOTTSWSA-N 1 0 254.131 2.377 10 0 CEAERO CC(C)(O)C[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000076807200 177100304 /nfs/dbraw/zinc/10/03/04/177100304.db2.gz HZBUBOPZCVZNBH-CYBMUJFWSA-N 1 0 251.345 2.461 10 0 CEAERO CC(C)Oc1ccccc1NC(=O)C(C)(C)C[NH3+] ZINC000077431949 177267316 /nfs/dbraw/zinc/26/73/16/177267316.db2.gz LCQFQUVRZHQLMB-UHFFFAOYSA-N 1 0 250.342 2.397 10 0 CEAERO CSCCCNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000077569986 177281821 /nfs/dbraw/zinc/28/18/21/177281821.db2.gz QKAZSHCRNQYBKW-GFCCVEGCSA-N 1 0 275.462 2.015 10 0 CEAERO CC(C)[C@H](C[NH+](C)C)NC(=O)Oc1ccccc1 ZINC000078597205 177358075 /nfs/dbraw/zinc/35/80/75/177358075.db2.gz WDBCGVYKGXFRQI-ZDUSSCGKSA-N 1 0 250.342 2.361 10 0 CEAERO C[C@@H](CC[NH3+])CCC(=O)Nc1ccccc1N(C)C ZINC000079117725 177435955 /nfs/dbraw/zinc/43/59/55/177435955.db2.gz AUHHOMRZPIDHGF-GFCCVEGCSA-N 1 0 263.385 2.456 10 0 CEAERO CC[C@H](CC[NH3+])CCC(=O)N1C[C@@H](C)OC(C)(C)C1 ZINC000079212767 177447973 /nfs/dbraw/zinc/44/79/73/177447973.db2.gz ZKVWMFYVGHTCND-OLZOCXBDSA-N 1 0 270.417 2.168 10 0 CEAERO CC[C@@H](CC[NH3+])CCC(=O)NCc1ccc(C)nc1 ZINC000079213163 177448410 /nfs/dbraw/zinc/44/84/10/177448410.db2.gz SYONSCJJTITSMT-CYBMUJFWSA-N 1 0 263.385 2.161 10 0 CEAERO CCC[C@H](CC[NH3+])CCC(=O)N1CCC[C@@H]1CCCO ZINC000079241525 177454483 /nfs/dbraw/zinc/45/44/83/177454483.db2.gz GOLUPPAVCDNSBV-LSDHHAIUSA-N 1 0 284.444 2.295 10 0 CEAERO CCC[C@@H](CC[NH3+])CCC(=O)N1[C@@H]2CC[C@H]1CC(O)C2 ZINC000079242494 177455050 /nfs/dbraw/zinc/45/50/50/177455050.db2.gz PIOYXLRCYHRYSN-JKXDFHQYSA-N 1 0 282.428 2.046 10 0 CEAERO CC(C)[C@H](CC[NH3+])CCC(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000079255225 177459574 /nfs/dbraw/zinc/45/95/74/177459574.db2.gz YDDYIAWWRMLFIT-MJBXVCDLSA-N 1 0 270.417 2.023 10 0 CEAERO CC(C)[C@H](CC[NH3+])CCC(=O)Nc1cccc(C(N)=O)c1 ZINC000079277927 177461428 /nfs/dbraw/zinc/46/14/28/177461428.db2.gz LOJBAMFYODIOHC-LBPRGKRZSA-N 1 0 291.395 2.125 10 0 CEAERO CC(C)[C@H](CC[NH3+])CCC(=O)N1CCSC[C@@H]1C ZINC000079279097 177462489 /nfs/dbraw/zinc/46/24/89/177462489.db2.gz IGMRDAAYXQHCNC-STQMWFEESA-N 1 0 272.458 2.352 10 0 CEAERO CC(C)(C)[C@@H](CC[NH3+])CCC(=O)NCC1CCOCC1 ZINC000079294459 177465854 /nfs/dbraw/zinc/46/58/54/177465854.db2.gz CCHUAWKCTFDYCQ-CQSZACIVSA-N 1 0 284.444 2.321 10 0 CEAERO CCC[C@@H](COC)NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000079748714 177551630 /nfs/dbraw/zinc/55/16/30/177551630.db2.gz GYWGZHFQSNPSQB-GJZGRUSLSA-N 1 0 278.396 2.398 10 0 CEAERO NC(=[NH2+])c1ccccc1NC(=O)NC1CCCCC1 ZINC000079778301 177557042 /nfs/dbraw/zinc/55/70/42/177557042.db2.gz DVXMDMFXOIISSM-UHFFFAOYSA-N 1 0 260.341 2.425 10 0 CEAERO CN(CC(N)=[NH2+])C(=O)Nc1ccccc1C(F)(F)F ZINC000079778871 177557081 /nfs/dbraw/zinc/55/70/81/177557081.db2.gz DCCZYJQTLWKXGL-UHFFFAOYSA-N 1 0 274.246 2.105 10 0 CEAERO Cc1ccc(NC(=O)N2CCCC[C@H]2C(N)=[NH2+])cc1 ZINC000079824518 177565823 /nfs/dbraw/zinc/56/58/23/177565823.db2.gz YTFYWIJYQXPFEE-LBPRGKRZSA-N 1 0 260.341 2.317 10 0 CEAERO Cc1ccnn1C[C@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000080006736 177593742 /nfs/dbraw/zinc/59/37/42/177593742.db2.gz ITLAZNRGEHKJJY-QWHCGFSZSA-N 1 0 251.374 2.127 10 0 CEAERO CC[NH2+]Cc1ccc2ccn(CCCS(C)(=O)=O)c2c1 ZINC000080081212 177605267 /nfs/dbraw/zinc/60/52/67/177605267.db2.gz SLWLAGBLXFGMFN-UHFFFAOYSA-N 1 0 294.420 2.186 10 0 CEAERO CCN(CC)C(=O)[C@H]1C[C@H](c2ccc(OC)cc2)CC[NH2+]1 ZINC000080102194 177608236 /nfs/dbraw/zinc/60/82/36/177608236.db2.gz XPMQIMJIMPHVMW-GDBMZVCRSA-N 1 0 290.407 2.399 10 0 CEAERO Cc1ccc(F)cc1[C@@H]1[NH2+][C@@H](C)C[C@@H](C)[C@@H]1C(N)=O ZINC000080105678 177608582 /nfs/dbraw/zinc/60/85/82/177608582.db2.gz SZWUVJPLUOQNID-OAACRXHESA-N 1 0 264.344 2.295 10 0 CEAERO COc1ccc(C[C@@H](C)N(C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000080184007 177619748 /nfs/dbraw/zinc/61/97/48/177619748.db2.gz QLOHJXXZVWPKOO-UKRRQHHQSA-N 1 0 292.423 2.319 10 0 CEAERO CC(C)(C)CS(=O)(=O)N(CCC[NH3+])C1CCCCC1 ZINC000080185509 177620266 /nfs/dbraw/zinc/62/02/66/177620266.db2.gz SKWXVBHPNKMYMZ-UHFFFAOYSA-N 1 0 290.473 2.346 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCC2(CC2(F)F)CC1 ZINC000405090895 419402236 /nfs/dbraw/zinc/40/22/36/419402236.db2.gz SWFZBZVJHVQQMM-QWRGUYRKSA-N 1 0 272.339 2.022 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)N(C)Cc1ccc(F)cc1 ZINC000136313308 419443507 /nfs/dbraw/zinc/44/35/07/419443507.db2.gz AMBXYBKPSYBWKV-CYBMUJFWSA-N 1 0 252.333 2.158 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H](C)CCc1ccccc1 ZINC000136437664 419446902 /nfs/dbraw/zinc/44/69/02/419446902.db2.gz HTMOVCBTIDOMLF-UKRRQHHQSA-N 1 0 262.397 2.497 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)NCCc1cccc(Cl)c1 ZINC000136431215 419447216 /nfs/dbraw/zinc/44/72/16/419447216.db2.gz VKIHNPUECDEMIQ-ZDUSSCGKSA-N 1 0 268.788 2.372 10 0 CEAERO COc1ccccc1N(C)C(=O)C[C@@H]([NH3+])C(C)C ZINC000136447521 419447766 /nfs/dbraw/zinc/44/77/66/419447766.db2.gz PLLFBQCADSLEJW-LLVKDONJSA-N 1 0 250.342 2.031 10 0 CEAERO CC(=O)Nc1cccc([C@H](C)NC(=O)C[C@@H]([NH3+])C(C)C)c1 ZINC000136409625 419448227 /nfs/dbraw/zinc/44/82/27/419448227.db2.gz TZQJHLCSPNTDCT-XHDPSFHLSA-N 1 0 291.395 2.196 10 0 CEAERO Cc1cc(F)ccc1CCNC(=O)C[C@@H]([NH3+])C(C)C ZINC000136490582 419449663 /nfs/dbraw/zinc/44/96/63/419449663.db2.gz FITHNJRGARNMCP-CQSZACIVSA-N 1 0 266.360 2.166 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](C)c2c(C)n[nH]c2C)C1 ZINC000179592134 260057211 /nfs/dbraw/zinc/05/72/11/260057211.db2.gz UMVWJRBWNXEKRC-BXUZGUMPSA-N 1 0 292.427 2.121 10 0 CEAERO O=S(=O)(c1ccc(Cl)cc1Cl)[C@@H]1CC[NH2+]C1 ZINC000083297437 260188924 /nfs/dbraw/zinc/18/89/24/260188924.db2.gz IZUYFUDBAHYKML-MRVPVSSYSA-N 1 0 280.176 2.129 10 0 CEAERO Fc1ccc(CNC[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000398384382 270358161 /nfs/dbraw/zinc/35/81/61/270358161.db2.gz WUYMKPWAVLFZDN-SECBINFHSA-N 1 0 287.176 2.287 10 0 CEAERO C[C@@H]1CN(C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@@H](C)O1 ZINC000044293077 270229175 /nfs/dbraw/zinc/22/91/75/270229175.db2.gz GCPZTFOXILATOJ-CHWSQXEVSA-N 1 0 291.395 2.389 10 0 CEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000392938662 270341611 /nfs/dbraw/zinc/34/16/11/270341611.db2.gz NWLUPWVDJMBHLN-CZOCAIASSA-N 1 0 262.397 2.068 10 0 CEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C[C@@H]1CCCCC1(F)F ZINC000393092779 270341922 /nfs/dbraw/zinc/34/19/22/270341922.db2.gz MDPJLFUSBNIIJK-GARJFASQSA-N 1 0 260.328 2.069 10 0 CEAERO COC1(CC[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)CCC1 ZINC000398860981 270364332 /nfs/dbraw/zinc/36/43/32/270364332.db2.gz QRZAIHBBLCAPFQ-BFHYXJOUSA-N 1 0 253.386 2.038 10 0 CEAERO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000399227705 270367449 /nfs/dbraw/zinc/36/74/49/270367449.db2.gz ZLLRVFZALMQZMZ-XJKSGUPXSA-N 1 0 271.364 2.218 10 0 CEAERO C[C@@H]1CN(c2ncc(Br)cc2Cl)CC[NH2+]1 ZINC000114822637 274368933 /nfs/dbraw/zinc/36/89/33/274368933.db2.gz NFWOQVVKYUHCIW-SSDOTTSWSA-N 1 0 290.592 2.296 10 0 CEAERO C[C@H]1CCN(C(=O)Nc2ccc3c(n2)CCC3)[C@@H](C[NH3+])C1 ZINC000333391024 274558618 /nfs/dbraw/zinc/55/86/18/274558618.db2.gz XMPKFMRUNILVTP-WCQYABFASA-N 1 0 288.395 2.161 10 0 CEAERO FC(F)(F)c1ccnc(N2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000261595216 274907693 /nfs/dbraw/zinc/90/76/93/274907693.db2.gz NZPSJKXGOWQPCV-LBPRGKRZSA-N 1 0 271.286 2.290 10 0 CEAERO CC(C)n1ccnc1CN(CC[NH3+])CCc1ccccc1 ZINC000261800559 275786249 /nfs/dbraw/zinc/78/62/49/275786249.db2.gz RKOWXQHBUZWOSA-UHFFFAOYSA-N 1 0 286.423 2.467 10 0 CEAERO CC(C)(C)[C@H](O)C[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000324605851 275842024 /nfs/dbraw/zinc/84/20/24/275842024.db2.gz KIBAEVUVVUPUQI-BBBLOLIVSA-N 1 0 269.307 2.093 10 0 CEAERO CC1(C)C[C@H]1[NH2+][C@@H]1CCCc2c1cnn2-c1ncccn1 ZINC000330250001 275870817 /nfs/dbraw/zinc/87/08/17/275870817.db2.gz GPKHTFWKHIBJEA-TZMCWYRMSA-N 1 0 283.379 2.428 10 0 CEAERO CC(C)CC[C@H]([NH2+]C[C@@H]1CN(C)CCO1)C1CC1 ZINC000367116191 275879324 /nfs/dbraw/zinc/87/93/24/275879324.db2.gz ZSNQXVBWKLTXGS-CABCVRRESA-N 1 0 254.418 2.121 10 0 CEAERO CCC[C@@H](C(=O)N1CCS[C@@H](C)CC1)[NH+](C)C ZINC000191351927 276020654 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ZINC000174191315 277216203 /nfs/dbraw/zinc/21/62/03/277216203.db2.gz JSEYLUOLHSZCKH-LLVKDONJSA-N 1 0 283.334 2.437 10 0 CEAERO CC(C)(C)OC[C@H](O)C[N@@H+]1CCC2(CCCC2)C1 ZINC000174275787 277216245 /nfs/dbraw/zinc/21/62/45/277216245.db2.gz AAMVXTCKVYJRNI-CYBMUJFWSA-N 1 0 255.402 2.429 10 0 CEAERO CON1C(=O)CCC12CC[NH+](Cc1ccccc1)CC2 ZINC000072148174 277273735 /nfs/dbraw/zinc/27/37/35/277273735.db2.gz VFKOTPICCCPMBR-UHFFFAOYSA-N 1 0 274.364 2.205 10 0 CEAERO CC(C)C1CCC([NH2+][C@@H]2CCC(=O)N[C@H]2C)CC1 ZINC000335803530 277341287 /nfs/dbraw/zinc/34/12/87/277341287.db2.gz OILBTQZJTGYZPE-GFJIZPEISA-N 1 0 252.402 2.458 10 0 CEAERO COC(=O)[C@H]1CCCC[N@@H+]1C[C@@H]1Cc2ccccc21 ZINC000118682925 277388448 /nfs/dbraw/zinc/38/84/48/277388448.db2.gz GPUSTEXKHAUXBJ-DZGCQCFKSA-N 1 0 259.349 2.354 10 0 CEAERO CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCCCC[C@@H]2O)CCO1 ZINC000252870664 277823610 /nfs/dbraw/zinc/82/36/10/277823610.db2.gz OIYDGLYPAQPLMV-QPSCCSFWSA-N 1 0 255.402 2.473 10 0 CEAERO CC(C)c1nc(CN2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)cs1 ZINC000105823977 278071661 /nfs/dbraw/zinc/07/16/61/278071661.db2.gz WNIAMGAQWIJAPH-QWHCGFSZSA-N 1 0 297.468 2.153 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1cccc(Cl)c1F ZINC000261552276 278098895 /nfs/dbraw/zinc/09/88/95/278098895.db2.gz MVTGXEAJIGUELU-GMSGAONNSA-N 1 0 256.708 2.041 10 0 CEAERO CS(=O)(=O)c1ccc(N[C@H](C[NH3+])C2CCCC2)cc1 ZINC000235036102 278120184 /nfs/dbraw/zinc/12/01/84/278120184.db2.gz XSLGXIFMTMRTKH-CQSZACIVSA-N 1 0 282.409 2.020 10 0 CEAERO C[C@@H](C(=O)N[C@@H]1COc2ccccc21)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000101662930 278210774 /nfs/dbraw/zinc/21/07/74/278210774.db2.gz WSMOGIXGNUZXPD-SFDCQRBFSA-N 1 0 288.391 2.498 10 0 CEAERO CC1(C)CN(C(=O)C(C2CC2)C2CC2)CC[C@H]1[NH3+] ZINC000261555353 278294977 /nfs/dbraw/zinc/29/49/77/278294977.db2.gz BJVWSTANCBTMNO-GFCCVEGCSA-N 1 0 250.386 2.008 10 0 CEAERO CC1(C)CN(C(=O)[C@H]2CCc3ccccc32)CC[C@H]1[NH3+] ZINC000261692527 278317737 /nfs/dbraw/zinc/31/77/37/278317737.db2.gz DGWVNUBUMQADQC-LSDHHAIUSA-N 1 0 272.392 2.302 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@]2(CC[C@H](C[NH3+])C2)C1 ZINC000095084639 278413675 /nfs/dbraw/zinc/41/36/75/278413675.db2.gz CJMRYBSIKXAGFU-FZMZJTMJSA-N 1 0 254.374 2.372 10 0 CEAERO C[C@H]1C[C@@H](C(=O)/N=c2/sc3ccccc3n2C)CC[NH2+]1 ZINC000262423535 278471296 /nfs/dbraw/zinc/47/12/96/278471296.db2.gz QWLIMCVKYLDGOU-WAHSGLGRSA-N 1 0 289.404 2.055 10 0 CEAERO C[C@@H]1CCCN(c2ccc(Br)cn2)[C@@H]1C[NH3+] ZINC000069727385 278484946 /nfs/dbraw/zinc/48/49/46/278484946.db2.gz JZIFNDASHMKQNK-MWLCHTKSSA-N 1 0 284.201 2.408 10 0 CEAERO C[C@@H]1CCCN(c2nccc(C(F)(F)F)n2)[C@H]1C[NH3+] ZINC000252182345 278485949 /nfs/dbraw/zinc/48/59/49/278485949.db2.gz QFZCUYSYTLRYAJ-BDAKNGLRSA-N 1 0 274.290 2.059 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCCCc2ccccc21 ZINC000088335998 278842123 /nfs/dbraw/zinc/84/21/23/278842123.db2.gz XMMUTNDUSZQTKE-TZMCWYRMSA-N 1 0 258.365 2.211 10 0 CEAERO CCCS(=O)(=O)Nc1ccccc1[C@@H](C)[NH2+]C ZINC000035645000 278852445 /nfs/dbraw/zinc/85/24/45/278852445.db2.gz NJUSVIUNIXKBPK-SNVBAGLBSA-N 1 0 256.371 2.119 10 0 CEAERO C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@@H]1CCc2ncnn2C1 ZINC000180581045 279023434 /nfs/dbraw/zinc/02/34/34/279023434.db2.gz KXWDDKDAFSUBJO-KFNAQCHYSA-N 1 0 268.364 2.116 10 0 CEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000282129126 279026993 /nfs/dbraw/zinc/02/69/93/279026993.db2.gz BIBHQXMRJSAPDI-QCZZGDTMSA-N 1 0 262.328 2.070 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+]CC2CCCCCC2)C1 ZINC000263479300 279059341 /nfs/dbraw/zinc/05/93/41/279059341.db2.gz FYQTXOLYFDTWKG-UHFFFAOYSA-N 1 0 282.428 2.484 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+]C2C[C@@H](C)C[C@H](C)C2)C1 ZINC000263524103 279059426 /nfs/dbraw/zinc/05/94/26/279059426.db2.gz SMDSJUHKIRHQJK-XOEAPDPESA-N 1 0 282.428 2.338 10 0 CEAERO CCN(CC(F)F)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000182434598 279064172 /nfs/dbraw/zinc/06/41/72/279064172.db2.gz MCFHMTXJYVTAHS-CYBMUJFWSA-N 1 0 284.350 2.273 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1c1ncc(Br)cc1Cl ZINC000261534076 279086527 /nfs/dbraw/zinc/08/65/27/279086527.db2.gz LSHUNLLURVGNSU-MUWHJKNJSA-N 1 0 290.592 2.423 10 0 CEAERO CC[NH+](CC)CCCN1CCO[C@H]2CCCC[C@H]21 ZINC000249010828 279095431 /nfs/dbraw/zinc/09/54/31/279095431.db2.gz IOAVVRCHSIZNOO-CABCVRRESA-N 1 0 254.418 2.362 10 0 CEAERO C[C@H](C(=O)N1CC[C@H](C)c2ccccc21)C1C[NH2+]C1 ZINC000261580482 279204246 /nfs/dbraw/zinc/20/42/46/279204246.db2.gz FKDIBXKKSNGVSL-RYUDHWBXSA-N 1 0 258.365 2.382 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)Nc1ccccc1F ZINC000175348205 279301269 /nfs/dbraw/zinc/30/12/69/279301269.db2.gz FFLMDJHOTSLATQ-CYBMUJFWSA-N 1 0 293.386 2.180 10 0 CEAERO Cn1cc(CN2CC[N@@H+]3CCCC[C@H]3C2)c(C(C)(C)C)n1 ZINC000245855514 279335842 /nfs/dbraw/zinc/33/58/42/279335842.db2.gz NKGCNOXGLRNHET-HNNXBMFYSA-N 1 0 290.455 2.388 10 0 CEAERO C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000282381868 279379345 /nfs/dbraw/zinc/37/93/45/279379345.db2.gz OLGCYPSTNRSLLU-GYSYKLTISA-N 1 0 264.344 2.013 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cc(F)ccc1F ZINC000105872255 279522138 /nfs/dbraw/zinc/52/21/38/279522138.db2.gz MJCLLJOZSQSEKZ-GXSJLCMTSA-N 1 0 278.306 2.222 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1cc(-c2ccccc2)on1 ZINC000238007630 279641165 /nfs/dbraw/zinc/64/11/65/279641165.db2.gz PQZURHFDKRCOGE-STQMWFEESA-N 1 0 285.347 2.199 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000085371519 279688395 /nfs/dbraw/zinc/68/83/95/279688395.db2.gz MEBDQVNMVDFXSO-MGZIPMFSSA-N 1 0 276.424 2.446 10 0 CEAERO C[C@H]1CCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)c2ccccc21 ZINC000188389611 279706254 /nfs/dbraw/zinc/70/62/54/279706254.db2.gz AEVMRJDFXTVQCO-NSHDSACASA-N 1 0 296.374 2.209 10 0 CEAERO CCOCCOC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000357862510 279716214 /nfs/dbraw/zinc/71/62/14/279716214.db2.gz YNCRAWPLSGRIKO-RBSFLKMASA-N 1 0 287.444 2.205 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@@H](O)C2)C12CCOCC2 ZINC000249008052 279869969 /nfs/dbraw/zinc/86/99/69/279869969.db2.gz OEZYQXMCSUJAPH-LVQVYYBASA-N 1 0 297.439 2.101 10 0 CEAERO CC(C)CSCCCNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000129925087 279925446 /nfs/dbraw/zinc/92/54/46/279925446.db2.gz RBHRPQAZVOWFQK-ZDUSSCGKSA-N 1 0 287.473 2.111 10 0 CEAERO C[C@@H](C(=O)N1CC[C@H]([NH+](C)C)C1)c1c(F)cccc1F ZINC000134602323 280026929 /nfs/dbraw/zinc/02/69/29/280026929.db2.gz DMRSGSIJHFUKCU-MNOVXSKESA-N 1 0 282.334 2.231 10 0 CEAERO CN1CCO[C@@H](C[NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000150179843 280079612 /nfs/dbraw/zinc/07/96/12/280079612.db2.gz YTGNQGRSAXRWMP-ZDUSSCGKSA-N 1 0 270.323 2.044 10 0 CEAERO C[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@@H]1N1CCOCC1 ZINC000177239093 280103236 /nfs/dbraw/zinc/10/32/36/280103236.db2.gz ZOEWPALVMLGYQD-WBMJQRKESA-N 1 0 296.361 2.117 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]CCc2cscn2)C12CCOCC2 ZINC000186390762 280129011 /nfs/dbraw/zinc/12/90/11/280129011.db2.gz NZXXRTOFYPLGSA-ZIAGYGMSSA-N 1 0 296.436 2.249 10 0 CEAERO Cc1oc2ccccc2c1C[N@@H+]1CCCNC(=O)[C@H]1C 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2.200 10 0 CEAERO COc1ccc([C@H](C)N[C@H]2CCC[NH2+][C@H]2C)c(OC)c1 ZINC000396586137 280674672 /nfs/dbraw/zinc/67/46/72/280674672.db2.gz VBQSROAPZGINTP-HUBLWGQQSA-N 1 0 278.396 2.495 10 0 CEAERO c1ccc(COCCC2(CN[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000423045274 281006653 /nfs/dbraw/zinc/00/66/53/281006653.db2.gz BWNXNGTZFUPROQ-INIZCTEOSA-N 1 0 274.408 2.325 10 0 CEAERO CC1(C)CCC[C@H]1NC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000335303879 281065323 /nfs/dbraw/zinc/06/53/23/281065323.db2.gz MLAKFMZBMNAIGI-VXGBXAGGSA-N 1 0 267.417 2.334 10 0 CEAERO Cc1ccc(C)c(OCCC(=O)N2CC[C@@H]([NH3+])[C@@H]2C)c1 ZINC000423652810 281074304 /nfs/dbraw/zinc/07/43/04/281074304.db2.gz YDNFQTWMTZUFCN-UONOGXRCSA-N 1 0 276.380 2.020 10 0 CEAERO Cc1cccc(OCCC(=O)N2CC[C@@H]([NH3+])[C@H]2C)c1C ZINC000423654356 281074981 /nfs/dbraw/zinc/07/49/81/281074981.db2.gz AMUSRMKMZUTINJ-ZIAGYGMSSA-N 1 0 276.380 2.020 10 0 CEAERO CC[C@H]1CC[C@H](C(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])CC1 ZINC000262231102 281110243 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CC(C)(C)[C@H](O)C[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000324486669 312836707 /nfs/dbraw/zinc/83/67/07/312836707.db2.gz KLGRBSOFESQLSD-BZPMIXESSA-N 1 0 273.442 2.038 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cc4cc(F)ccc4o3)C[C@@H]12 ZINC000185195625 321739714 /nfs/dbraw/zinc/73/97/14/321739714.db2.gz PWRYBCBHOXJSLP-OASPWFOLSA-N 1 0 288.322 2.381 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NC1CCSCC1 ZINC000195473659 321820281 /nfs/dbraw/zinc/82/02/81/321820281.db2.gz JEQLKBPKHOTNHE-CYBMUJFWSA-N 1 0 287.473 2.158 10 0 CEAERO Cn1ncc2c1CCC[C@H]2[NH2+][C@H](CO)C1CCCCC1 ZINC000386290221 321869893 /nfs/dbraw/zinc/86/98/93/321869893.db2.gz SRSKKNMZUWEMCT-HUUCEWRRSA-N 1 0 277.412 2.328 10 0 CEAERO CC(C)(C)OC(=O)N1C[C@H]2[NH2+]Cc3ccccc3[C@H]2C1 ZINC000238109668 333182987 /nfs/dbraw/zinc/18/29/87/333182987.db2.gz SIFXOCTVGYHNIX-ZIAGYGMSSA-N 1 0 274.364 2.493 10 0 CEAERO CC(C)C[C@H]([NH3+])[C@H](O)c1ccc2c(c1)OCCCO2 ZINC000054929359 519370484 /nfs/dbraw/zinc/37/04/84/519370484.db2.gz IISYFEAEAPHJIO-SWLSCSKDSA-N 1 0 265.353 2.255 10 0 CEAERO CC(C)[NH2+]CC[C@@H](C)n1nnc(-c2ccccc2)n1 ZINC000052574716 519722342 /nfs/dbraw/zinc/72/23/42/519722342.db2.gz QOEZRQXRVSUJQW-GFCCVEGCSA-N 1 0 259.357 2.289 10 0 CEAERO CC(C)C[NH+]1CCN(C[C@H]2CCCCC2=O)CC1 ZINC000055081605 519726433 /nfs/dbraw/zinc/72/64/33/519726433.db2.gz SEGGQKABWGBSAX-CQSZACIVSA-N 1 0 252.402 2.019 10 0 CEAERO CC(C)[NH2+][C@](C)(C[C@H](C)Oc1cccc(F)c1)C(N)=O ZINC000068656703 519740210 /nfs/dbraw/zinc/74/02/10/519740210.db2.gz LIOPCUWXCVCMPH-XHDPSFHLSA-N 1 0 282.359 2.225 10 0 CEAERO CC(C)C[NH2+]Cc1nc(CN2CCOCC2(C)C)cs1 ZINC000052546024 519748254 /nfs/dbraw/zinc/74/82/54/519748254.db2.gz SOISCDJOMYRWOE-UHFFFAOYSA-N 1 0 297.468 2.500 10 0 CEAERO CC(C)[C@@H](C[NH+](C)C)Nc1nc(Cl)nc(Cl)n1 ZINC000061518663 519794035 /nfs/dbraw/zinc/79/40/35/519794035.db2.gz RPZVVRKEMSYXRT-SSDOTTSWSA-N 1 0 278.187 2.177 10 0 CEAERO CCC[NH2+]CC(=O)N[C@@H]1CCCc2sccc21 ZINC000061365703 519908328 /nfs/dbraw/zinc/90/83/28/519908328.db2.gz FBLPGJGHJFKECO-LLVKDONJSA-N 1 0 252.383 2.241 10 0 CEAERO CCC[NH2+]C[C@@H](C[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 ZINC000052951036 519921439 /nfs/dbraw/zinc/92/14/39/519921439.db2.gz PHGDTQUIPNMNST-BFHYXJOUSA-N 1 0 275.458 2.473 10 0 CEAERO CCC[NH2+]C[C@@H]1CC[C@@H](CN(CC)CC(F)(F)F)O1 ZINC000052503166 519924394 /nfs/dbraw/zinc/92/43/94/519924394.db2.gz QPJBVXSXBKMNNJ-RYUDHWBXSA-N 1 0 282.350 2.418 10 0 CEAERO CCC[NH2+]Cc1cc(C)ccc1OCCC(=O)OC ZINC000069317733 519944536 /nfs/dbraw/zinc/94/45/36/519944536.db2.gz YIVILGSBGFOBHH-UHFFFAOYSA-N 1 0 265.353 2.437 10 0 CEAERO CC[NH2+]C[C@H]1CCN(c2ccc(F)cc2OC)C1 ZINC000053032977 519978286 /nfs/dbraw/zinc/97/82/86/519978286.db2.gz WUWLZMXRYAQUFJ-LLVKDONJSA-N 1 0 252.333 2.270 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccc(F)cc1O[C@H](C)C(N)=O ZINC000062747398 519988673 /nfs/dbraw/zinc/98/86/73/519988673.db2.gz JHUVMBXDOPDTIT-VHSXEESVSA-N 1 0 268.332 2.139 10 0 CEAERO CCC[NH2+][C@@H](C)C[C@H](C)N1CCN(CC(F)(F)F)CC1 ZINC000068654904 519986655 /nfs/dbraw/zinc/98/66/55/519986655.db2.gz FKNBDVLFQLEQMA-STQMWFEESA-N 1 0 295.393 2.333 10 0 CEAERO CC[NH2+]Cc1sc(N2C[C@H](C)O[C@@H](C)C2)nc1CC ZINC000054995489 520035256 /nfs/dbraw/zinc/03/52/56/520035256.db2.gz JROGZNVNRCZXNL-QWRGUYRKSA-N 1 0 283.441 2.429 10 0 CEAERO CCC[NH2+][C@H](C)CCS(=O)(=O)c1ccccc1 ZINC000061702903 520062104 /nfs/dbraw/zinc/06/21/04/520062104.db2.gz OYBWICMKSLOIAC-GFCCVEGCSA-N 1 0 255.383 2.239 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(F)cc1O[C@H](C)C(=O)OC ZINC000062746746 520076204 /nfs/dbraw/zinc/07/62/04/520076204.db2.gz LBAUHVRFKODXRF-VHSXEESVSA-N 1 0 269.316 2.437 10 0 CEAERO CCC[NH2+][C@H]1COc2cc(OC[C@H](O)CC)ccc21 ZINC000062805118 520098472 /nfs/dbraw/zinc/09/84/72/520098472.db2.gz VHZOSWDHGJIHCZ-RISCZKNCSA-N 1 0 265.353 2.269 10 0 CEAERO CCCN[C@](C)(C[NH+]1CCC(CCC)CC1)C(=O)OC ZINC000050905664 520106973 /nfs/dbraw/zinc/10/69/73/520106973.db2.gz KIYRCMZOZAVTAT-MRXNPFEDSA-N 1 0 284.444 2.430 10 0 CEAERO CCCN[C@](C)(C[C@H](C)[N@H+](CC)CC1CC1)C(=O)OC ZINC000068647642 520114672 /nfs/dbraw/zinc/11/46/72/520114672.db2.gz WVMGGEXDHRRSKZ-XJKSGUPXSA-N 1 0 284.444 2.428 10 0 CEAERO CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1CCS(C)(=O)=O ZINC000054630921 520120344 /nfs/dbraw/zinc/12/03/44/520120344.db2.gz RWZGQIATBUWSJA-HZSPNIEDSA-N 1 0 275.458 2.472 10 0 CEAERO CCCOc1nc(Cl)nc(NCC[NH+](CC)CC)n1 ZINC000061536195 520494226 /nfs/dbraw/zinc/49/42/26/520494226.db2.gz XNNZRZXTFBQHED-UHFFFAOYSA-N 1 0 287.795 2.068 10 0 CEAERO CCCCNC(=O)COc1ccc(Cl)cc1C[NH3+] ZINC000049279679 520624079 /nfs/dbraw/zinc/62/40/79/520624079.db2.gz BCRGOLLIYBEOPY-UHFFFAOYSA-N 1 0 270.760 2.094 10 0 CEAERO CCCC[C@@H](CC)[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000069370402 521038216 /nfs/dbraw/zinc/03/82/16/521038216.db2.gz QLEHINGICSQDBX-CYBMUJFWSA-N 1 0 284.425 2.392 10 0 CEAERO CCOC(=O)[C@@](C)([NH3+])CCCOc1cc(F)cc(F)c1 ZINC000054934120 521152974 /nfs/dbraw/zinc/15/29/74/521152974.db2.gz ZKPGVGKPXFSAKX-AWEZNQCLSA-N 1 0 287.306 2.404 10 0 CEAERO CCC[C@](C)(C[NH3+])[C@H]1CS(=O)(=O)c2ccccc21 ZINC000054636008 521266630 /nfs/dbraw/zinc/26/66/30/521266630.db2.gz FWBYNICNUAGFPD-GXTWGEPZSA-N 1 0 267.394 2.323 10 0 CEAERO CCOC(=O)[C@](N)(C[N@H+](C)CC1CCCCC1)C1CC1 ZINC000069183924 521345417 /nfs/dbraw/zinc/34/54/17/521345417.db2.gz SOXLGUZIEMKTOB-INIZCTEOSA-N 1 0 282.428 2.169 10 0 CEAERO CCCc1nc(N(CCOC)C2CC2)sc1C[NH2+]C ZINC000055000300 521531092 /nfs/dbraw/zinc/53/10/92/521531092.db2.gz HVCKZTFEMDAHQA-UHFFFAOYSA-N 1 0 283.441 2.430 10 0 CEAERO CCCc1nc(N2CCC(OC)CC2)sc1C[NH2+]C ZINC000054997138 521531378 /nfs/dbraw/zinc/53/13/78/521531378.db2.gz HDNHOGMSINIHLX-UHFFFAOYSA-N 1 0 283.441 2.430 10 0 CEAERO CCC(CC)N(CCO)C(=O)[C@@H]1CCC[C@H](CC[NH3+])C1 ZINC000055162924 521550580 /nfs/dbraw/zinc/55/05/80/521550580.db2.gz WZBVJQDXYQNJNZ-ZIAGYGMSSA-N 1 0 284.444 2.151 10 0 CEAERO CCC[N@H+](CC[C@@H](NC(C)C)C(=O)OC)CC1CC1 ZINC000062460256 521670047 /nfs/dbraw/zinc/67/00/47/521670047.db2.gz OAKLUBKEXPCACK-CQSZACIVSA-N 1 0 270.417 2.038 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N1CCC[C@H]1Cc1ccccc1 ZINC000061317054 521933243 /nfs/dbraw/zinc/93/32/43/521933243.db2.gz IDKGSVJDTPWOLW-AWEZNQCLSA-N 1 0 260.381 2.218 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000061300785 521938583 /nfs/dbraw/zinc/93/85/83/521938583.db2.gz OVRAXPSLJDCNEH-NSHDSACASA-N 1 0 282.384 2.477 10 0 CEAERO CCc1ccccc1[C@H](CN)[N@H+](C)C1CCOCC1 ZINC000052203577 521951375 /nfs/dbraw/zinc/95/13/75/521951375.db2.gz LMZBELANHFNQQS-INIZCTEOSA-N 1 0 262.397 2.360 10 0 CEAERO C[NH2+]C[C@@H](OCCOC)c1cccc(Br)c1 ZINC000050495723 522035408 /nfs/dbraw/zinc/03/54/08/522035408.db2.gz WBWJGISFDBJMFL-GFCCVEGCSA-N 1 0 288.185 2.373 10 0 CEAERO C[NH2+]C[C@@H](OC1CCOCC1)c1cccc(OC)c1 ZINC000050486082 522035500 /nfs/dbraw/zinc/03/55/00/522035500.db2.gz ZILQZHNTOWOTOT-OAHLLOKOSA-N 1 0 265.353 2.151 10 0 CEAERO C[NH2+]Cc1cc(CN2C[C@@H](C)OC(C)(C)C2)oc1C ZINC000052543446 522108019 /nfs/dbraw/zinc/10/80/19/522108019.db2.gz MFHABHBGIITQNT-LLVKDONJSA-N 1 0 266.385 2.307 10 0 CEAERO CC[C@H]([NH3+])Cc1c(C)nn(C[C@H]2CCCCO2)c1C ZINC000054741235 522329890 /nfs/dbraw/zinc/32/98/90/522329890.db2.gz ONVFPCPNVDOVNR-UONOGXRCSA-N 1 0 265.401 2.349 10 0 CEAERO C[NH2+][C@@H](C)c1cnn(CCCOCC(F)(F)F)c1 ZINC000054721026 522337738 /nfs/dbraw/zinc/33/77/38/522337738.db2.gz ODVNPAJZFBQXHA-VIFPVBQESA-N 1 0 265.279 2.133 10 0 CEAERO CC[C@@H](C[NH2+]C(C)(C)C)N(C)Cc1cnn(C)c1 ZINC000052570297 522544574 /nfs/dbraw/zinc/54/45/74/522544574.db2.gz CYRKJNYRINUAAQ-ZDUSSCGKSA-N 1 0 252.406 2.019 10 0 CEAERO COC[C@H](C)C[NH2+]Cc1nnc(-c2ccccc2)o1 ZINC000050601991 522578304 /nfs/dbraw/zinc/57/83/04/522578304.db2.gz MXVRUCDOAPCDPQ-LLVKDONJSA-N 1 0 261.325 2.109 10 0 CEAERO COC(=O)Nc1cccc(N[C@@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000400469048 534199522 /nfs/dbraw/zinc/19/95/22/534199522.db2.gz UPDMPCXOOYLIGM-WDEREUQCSA-N 1 0 263.341 2.275 10 0 CEAERO CC(C)C[C@@H](C[NH3+])CC(=O)NCC1(O)CCCCCC1 ZINC000088289981 517428235 /nfs/dbraw/zinc/42/82/35/517428235.db2.gz UWXGDUYROJWDPC-CQSZACIVSA-N 1 0 284.444 2.199 10 0 CEAERO CCCC[S@@](=O)[C@@H]1COc2ccccc2[C@@H]1[NH2+]C ZINC000084038203 517573059 /nfs/dbraw/zinc/57/30/59/517573059.db2.gz HEADSBPWVUZEOR-GLJUWKHASA-N 1 0 267.394 2.257 10 0 CEAERO Cc1ccc(C[NH2+]CCN2CCO[C@H]3CCC[C@@H]32)s1 ZINC000053425823 518188898 /nfs/dbraw/zinc/18/88/98/518188898.db2.gz NAQNVGGBIDUNQB-GJZGRUSLSA-N 1 0 280.437 2.399 10 0 CEAERO C/C=C/COc1ccc(C[NH2+]CCOC)cc1OC ZINC000062731944 518518104 /nfs/dbraw/zinc/51/81/04/518518104.db2.gz MEKXCVXKNBFSPX-SNAWJCMRSA-N 1 0 265.353 2.386 10 0 CEAERO CC(C)(C)[NH2+]Cc1nnnn1Cc1ccccc1Cl ZINC000054745366 518769494 /nfs/dbraw/zinc/76/94/94/518769494.db2.gz AKDMKTPVDPWQOH-UHFFFAOYSA-N 1 0 279.775 2.263 10 0 CEAERO CC(C)(C)n1ccnc(Oc2ccccc2C[NH3+])c1=O ZINC000061770569 519167953 /nfs/dbraw/zinc/16/79/53/519167953.db2.gz YPFLXDCLXSAHSV-UHFFFAOYSA-N 1 0 273.336 2.249 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)Nc1nccn(CC(C)C)c1=O ZINC000061765418 519343984 /nfs/dbraw/zinc/34/39/84/519343984.db2.gz JOESKTIJTHKMLI-CQSZACIVSA-N 1 0 294.443 2.288 10 0 CEAERO CC(C)C[C@H]([NH3+])[C@H](O)c1ccc2c(c1)CCCN2C ZINC000054929395 519369423 /nfs/dbraw/zinc/36/94/23/519369423.db2.gz NUIGHPCNFGDWEE-GOEBONIOSA-N 1 0 262.397 2.476 10 0 CEAERO CC(C)(c1ccc(F)cc1)[C@@H]([NH3+])CCCS(C)(=O)=O ZINC000069396495 519380234 /nfs/dbraw/zinc/38/02/34/519380234.db2.gz WXNOXEKBFVIUHI-ZDUSSCGKSA-N 1 0 287.400 2.255 10 0 CEAERO CC(C)CC1(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])CCC1 ZINC000157690854 519624672 /nfs/dbraw/zinc/62/46/72/519624672.db2.gz YVJBHXBCISOPIT-OLZOCXBDSA-N 1 0 252.402 2.446 10 0 CEAERO CC(C)N(CCC[NH3+])C(=O)C1(c2ccccc2)CC1 ZINC000061617514 519643235 /nfs/dbraw/zinc/64/32/35/519643235.db2.gz CYKOQJJHTASNBV-UHFFFAOYSA-N 1 0 260.381 2.304 10 0 CEAERO CC(C)[N@@H+](Cc1cccnc1C(N)=S)CC1CC1 ZINC000061663555 519659551 /nfs/dbraw/zinc/65/95/51/519659551.db2.gz LLVMPEVYXPVDCM-UHFFFAOYSA-N 1 0 263.410 2.336 10 0 CEAERO CC(C)CCS(=O)(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000069052778 519677086 /nfs/dbraw/zinc/67/70/86/519677086.db2.gz YISVWZKSQUFQLK-UHFFFAOYSA-N 1 0 282.409 2.120 10 0 CEAERO CC(C)C[NH+](CC(C)C)[C@H](C)C[C@](C)(NC1CC1)C(N)=O ZINC000068629001 519713799 /nfs/dbraw/zinc/71/37/99/519713799.db2.gz OMCCDBCMZBNSKU-PBHICJAKSA-N 1 0 297.487 2.375 10 0 CEAERO CC(C)CN(CCC[NH3+])C(=O)CC[C@H]1CCCCO1 ZINC000069383645 519715400 /nfs/dbraw/zinc/71/54/00/519715400.db2.gz LMPVRVYGKZMWLY-CQSZACIVSA-N 1 0 270.417 2.169 10 0 CEAERO CC(C)NC(=O)[C@H](C[NH3+])Cc1cc2ccccc2o1 ZINC000068811033 519715585 /nfs/dbraw/zinc/71/55/85/519715585.db2.gz RPJJZGOTIBMVQX-LBPRGKRZSA-N 1 0 260.337 2.075 10 0 CEAERO CC(C)[NH2+]CCCS(=O)(=O)N1CCCc2ccccc21 ZINC000049641466 519720819 /nfs/dbraw/zinc/72/08/19/519720819.db2.gz WUZMXSKCVVXANA-UHFFFAOYSA-N 1 0 296.436 2.157 10 0 CEAERO CC(C)[NH2+]CCc1nnc(-c2cccc3c2OCCO3)o1 ZINC000050620259 519722707 /nfs/dbraw/zinc/72/27/07/519722707.db2.gz OXPACSTXHLZCDX-UHFFFAOYSA-N 1 0 289.335 2.048 10 0 CEAERO CC(C)[NH2+]C[C@@H]1C[C@@]1(C)c1ccc(S(C)(=O)=O)cc1 ZINC000054595408 519724376 /nfs/dbraw/zinc/72/43/76/519724376.db2.gz CWKZDSLDWIZZBO-ZFWWWQNUSA-N 1 0 281.421 2.366 10 0 CEAERO CC(C)[NH2+]C[C@H]1CC[C@@H](COC[C@@H]2CCCCO2)O1 ZINC000052605237 519725728 /nfs/dbraw/zinc/72/57/28/519725728.db2.gz BMMTXUZAVXBCLK-ILXRZTDVSA-N 1 0 271.401 2.118 10 0 CEAERO CC(C)[NH2+]Cc1ccccc1OC[C@@H](O)C(F)(F)F ZINC000068875957 519727666 /nfs/dbraw/zinc/72/76/66/519727666.db2.gz VCKOVAZQKDIURW-GFCCVEGCSA-N 1 0 277.286 2.487 10 0 CEAERO CC(C)[NH2+]Cc1nc(CN2CCOC(C)(C)C2)cs1 ZINC000052481702 519728968 /nfs/dbraw/zinc/72/89/68/519728968.db2.gz OMKLFOCQDHLFEG-UHFFFAOYSA-N 1 0 283.441 2.252 10 0 CEAERO CC(=O)Nc1ccc([C@@H](O)[C@@H]([NH3+])CC(C)C)cc1 ZINC000054929539 519733544 /nfs/dbraw/zinc/73/35/44/519733544.db2.gz JACBETFJQKZQRH-UONOGXRCSA-N 1 0 250.342 2.052 10 0 CEAERO CC(C)CNC(=O)C[NH2+][C@@H]1CCCc2sccc21 ZINC000061362578 519734612 /nfs/dbraw/zinc/73/46/12/519734612.db2.gz OTXHDNGPASGIHT-GFCCVEGCSA-N 1 0 266.410 2.487 10 0 CEAERO CC(C)[NH2+][C@@](C)(CCC[N@@H+]1CCCC1(C)C)C(=O)[O-] ZINC000063072682 519735845 /nfs/dbraw/zinc/73/58/45/519735845.db2.gz WPYKFOSBJRITBD-HNNXBMFYSA-N 1 0 270.417 2.482 10 0 CEAERO CC(C)[NH2+][C@@](COCC1CCCCC1)(C(N)=O)C1CC1 ZINC000069198427 519737702 /nfs/dbraw/zinc/73/77/02/519737702.db2.gz PCXWWPCXFZWYAX-MRXNPFEDSA-N 1 0 282.428 2.215 10 0 CEAERO CC(C)[NH2+][C@H](CCSc1ccc(F)cc1F)C(N)=O ZINC000062597056 519738579 /nfs/dbraw/zinc/73/85/79/519738579.db2.gz WLQWPOBTQYBOFW-LLVKDONJSA-N 1 0 288.363 2.299 10 0 CEAERO CC(C)N[C@](C)(C[C@H](C)[N@H+](C)C1CCCCC1)C(N)=O ZINC000068621126 519740011 /nfs/dbraw/zinc/74/00/11/519740011.db2.gz BEZQFBIAGLICKZ-XJKSGUPXSA-N 1 0 283.460 2.272 10 0 CEAERO CC(C)C[NH2+]CCCCOc1cccc(S(C)(=O)=O)c1 ZINC000052701363 519743159 /nfs/dbraw/zinc/74/31/59/519743159.db2.gz WFWBJFRZJDJNMJ-UHFFFAOYSA-N 1 0 299.436 2.495 10 0 CEAERO CC(C)C[NH2+]Cc1ccccc1N(C)C[C@H](C)O ZINC000062738175 519747719 /nfs/dbraw/zinc/74/77/19/519747719.db2.gz GBMUWXDZQIUNFM-ZDUSSCGKSA-N 1 0 250.386 2.249 10 0 CEAERO CC(C)C[NH2+]Cc1ccnc(N2CCO[C@H](C)C2)c1 ZINC000051400152 519748077 /nfs/dbraw/zinc/74/80/77/519748077.db2.gz MSIMHTAKEIPGEF-CYBMUJFWSA-N 1 0 263.385 2.052 10 0 CEAERO CC(C)C[NH2+]Cc1ccccc1O[C@@H](C)C(=O)N(C)C ZINC000062729390 519748113 /nfs/dbraw/zinc/74/81/13/519748113.db2.gz ULLZLVUGOVDMHE-ZDUSSCGKSA-N 1 0 278.396 2.288 10 0 CEAERO CC(=O)Nc1ccccc1Oc1ccnc(C[NH3+])c1 ZINC000061811944 519751632 /nfs/dbraw/zinc/75/16/32/519751632.db2.gz PFFPODDARFZIJD-UHFFFAOYSA-N 1 0 257.293 2.291 10 0 CEAERO CC(C)Oc1cccc(C(=O)N2[C@H](C)C[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000061666801 519782394 /nfs/dbraw/zinc/78/23/94/519782394.db2.gz UAXYGNNFBXKIQC-XPKDYRNWSA-N 1 0 288.391 2.296 10 0 CEAERO CC(C)[C@@H](CNC(=O)c1cc(F)c(F)c(F)c1)[NH+](C)C ZINC000063011680 519794627 /nfs/dbraw/zinc/79/46/27/519794627.db2.gz AUPTVUKLFDNBSS-GFCCVEGCSA-N 1 0 288.313 2.420 10 0 CEAERO CC(C)[C@@H]1CC[C@@H](N)[C@H]([N@H+](C)C2CCOCC2)C1 ZINC000054555141 519803441 /nfs/dbraw/zinc/80/34/41/519803441.db2.gz GNXJMFSBXLWCPR-BPLDGKMQSA-N 1 0 254.418 2.249 10 0 CEAERO CC(C)[C@H](CN(C)C)[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000049204489 519814519 /nfs/dbraw/zinc/81/45/19/519814519.db2.gz APJRGBGQILYSGF-GJZGRUSLSA-N 1 0 268.376 2.035 10 0 CEAERO CC(C)[C@H](CN(C)C)[NH2+]C[C@@H](O)c1ccccc1F ZINC000049204520 519814642 /nfs/dbraw/zinc/81/46/42/519814642.db2.gz LIOIHRBGXZTBIU-LSDHHAIUSA-N 1 0 268.376 2.035 10 0 CEAERO CC(C)[C@H](CN(C)C)[NH2+]Cc1cccc2c1OCO2 ZINC000049197701 519814648 /nfs/dbraw/zinc/81/46/48/519814648.db2.gz NKGQCMUCTRWUGP-ZDUSSCGKSA-N 1 0 264.369 2.091 10 0 CEAERO CC(C)c1cc(N2Cc3ccccc3C[C@H]2C[NH3+])ncn1 ZINC000053664347 519833151 /nfs/dbraw/zinc/83/31/51/519833151.db2.gz LRKDPKULLCFLKG-HNNXBMFYSA-N 1 0 282.391 2.490 10 0 CEAERO CC(C)c1ccc([C@H]([NH3+])Cn2ncccc2=O)cc1 ZINC000061402682 519840108 /nfs/dbraw/zinc/84/01/08/519840108.db2.gz POEYRTDHGJVINK-CQSZACIVSA-N 1 0 257.337 2.067 10 0 CEAERO CCC1CCC(C[NH2+]CC(=O)N(C)C2CC2)CC1 ZINC000049305078 519851829 /nfs/dbraw/zinc/85/18/29/519851829.db2.gz KSWPJZLDBOBRBQ-UHFFFAOYSA-N 1 0 252.402 2.413 10 0 CEAERO CCC1CCC(NC(=O)c2cc[nH+]c(NN)c2)CC1 ZINC000051095044 519856505 /nfs/dbraw/zinc/85/65/05/519856505.db2.gz UZUCJTIPKBEZTJ-UHFFFAOYSA-N 1 0 262.357 2.066 10 0 CEAERO CC(C)[C@H](C[NH+](C)C)N1C(=S)N=NC1C(C)C ZINC000049219756 519890947 /nfs/dbraw/zinc/89/09/47/519890947.db2.gz RJYDVDUJVSWQBY-JTQLQIEISA-N 1 0 256.419 2.449 10 0 CEAERO CCOCCC[NH2+]C[C@H](C)OCCOc1ccccc1 ZINC000053551599 519896654 /nfs/dbraw/zinc/89/66/54/519896654.db2.gz LZADSBNLLGRNMI-HNNXBMFYSA-N 1 0 281.396 2.487 10 0 CEAERO CCOCCC[NH2+]C[C@@H](C)Oc1ccccc1OC ZINC000053566990 519896527 /nfs/dbraw/zinc/89/65/27/519896527.db2.gz WUTRHSHEGMYVDX-CYBMUJFWSA-N 1 0 267.369 2.479 10 0 CEAERO CCCC1CC[NH+]([C@@H]2CC3(CC[C@H]2O)OCCO3)CC1 ZINC000050905295 519903172 /nfs/dbraw/zinc/90/31/72/519903172.db2.gz CKPGIMHMRSOSSM-HUUCEWRRSA-N 1 0 283.412 2.155 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N[C@H](C)c1cccc(OC)c1 ZINC000061293475 519905944 /nfs/dbraw/zinc/90/59/44/519905944.db2.gz LGPXUQXAEAPMFJ-LLVKDONJSA-N 1 0 264.369 2.261 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1cc(F)cc(F)c1F ZINC000061299560 519906894 /nfs/dbraw/zinc/90/68/94/519906894.db2.gz DEIYVHXKHZQMFX-UHFFFAOYSA-N 1 0 260.259 2.431 10 0 CEAERO CC[NH2+]CCC(=O)N(C)Cc1ccc(SC)cc1 ZINC000061294002 519915148 /nfs/dbraw/zinc/91/51/48/519915148.db2.gz FDRMSBNKJYQXTC-UHFFFAOYSA-N 1 0 266.410 2.367 10 0 CEAERO CC[NH2+]CCC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000061292686 519916850 /nfs/dbraw/zinc/91/68/50/519916850.db2.gz BCEUNCNDCQFOJR-VHSXEESVSA-N 1 0 266.307 2.223 10 0 CEAERO CC[NH2+]CCC(=O)Nc1cc(OC)c(OC)cc1Cl ZINC000061291780 519917644 /nfs/dbraw/zinc/91/76/44/519917644.db2.gz TVVPTXRUOHHVRE-UHFFFAOYSA-N 1 0 286.759 2.295 10 0 CEAERO CC(C)n1c(S[C@@H](c2ccsc2)[C@H](C)[NH3+])n[nH]c1=O ZINC000061595199 519923396 /nfs/dbraw/zinc/92/33/96/519923396.db2.gz TZPIMGUSIGLDTO-WCBMZHEXSA-N 1 0 298.437 2.394 10 0 CEAERO CC[NH2+]CCc1nnc(-c2cc(F)ccc2F)o1 ZINC000050619755 519929619 /nfs/dbraw/zinc/92/96/19/519929619.db2.gz KJMHLLOISCJJEN-UHFFFAOYSA-N 1 0 253.252 2.167 10 0 CEAERO CCC[NH2+]C[C@H](CC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000052950813 519931859 /nfs/dbraw/zinc/93/18/59/519931859.db2.gz KVOZKBPSYAYKJS-OLZOCXBDSA-N 1 0 261.431 2.083 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N(Cc1ccc(OC)cc1)C1CC1 ZINC000061235519 519932774 /nfs/dbraw/zinc/93/27/74/519932774.db2.gz NHOKXQHIQTVRGK-CYBMUJFWSA-N 1 0 290.407 2.432 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N1CCC2(CCCC2)CC1 ZINC000062958400 519933329 /nfs/dbraw/zinc/93/33/29/519933329.db2.gz BMTWUHBNOFAICC-CYBMUJFWSA-N 1 0 252.402 2.415 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000061235788 519934663 /nfs/dbraw/zinc/93/46/63/519934663.db2.gz NEFBQAZILTYQAZ-GFCCVEGCSA-N 1 0 285.391 2.298 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)NCc1ccc(OC(F)F)cc1 ZINC000061267111 519936194 /nfs/dbraw/zinc/93/61/94/519936194.db2.gz KEAQADQOZBLMEO-SNVBAGLBSA-N 1 0 286.322 2.150 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N[C@@H](C)Cc1cccs1 ZINC000061231845 519937151 /nfs/dbraw/zinc/93/71/51/519937151.db2.gz CESYTFMRWMMKAT-MNOVXSKESA-N 1 0 254.399 2.041 10 0 CEAERO CCC[NH2+]C[C@H]1OCCN(C)[C@@H]1c1ccc(C)cc1 ZINC000070285594 519940268 /nfs/dbraw/zinc/94/02/68/519940268.db2.gz XFBVGLJKNXVHDK-HZPDHXFCSA-N 1 0 262.397 2.366 10 0 CEAERO CCC[NH2+]Cc1c(C)nc(-c2ncccn2)nc1C ZINC000054854239 519943295 /nfs/dbraw/zinc/94/32/95/519943295.db2.gz YMGGPKFCQDKQSB-UHFFFAOYSA-N 1 0 257.341 2.050 10 0 CEAERO CC[NH2+]C[C@@H](C)c1c(C)nc(-c2ccncn2)nc1C ZINC000070098147 519944597 /nfs/dbraw/zinc/94/45/97/519944597.db2.gz HHLJBSLCNQGBGZ-SNVBAGLBSA-N 1 0 271.368 2.263 10 0 CEAERO CCC[NH2+]Cc1ccc(-n2ccc(C(=O)NC)n2)cc1C ZINC000070328466 519949068 /nfs/dbraw/zinc/94/90/68/519949068.db2.gz CAFOMKUVOGPEGZ-UHFFFAOYSA-N 1 0 286.379 2.040 10 0 CEAERO CCC[NH2+]Cc1cccc(OCCOCCOC)c1 ZINC000052628237 519954601 /nfs/dbraw/zinc/95/46/01/519954601.db2.gz PCNBWZSACQHVNA-UHFFFAOYSA-N 1 0 267.369 2.228 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000061267010 519964569 /nfs/dbraw/zinc/96/45/69/519964569.db2.gz AVJHVGIOBLUOTF-WDEREUQCSA-N 1 0 252.333 2.249 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccc(Cl)cc1C(=O)OC ZINC000061231036 519966973 /nfs/dbraw/zinc/96/69/73/519966973.db2.gz AXDWIEPIYDDHSC-VIFPVBQESA-N 1 0 298.770 2.311 10 0 CEAERO CCOCC[NH2+]CCN(C)[C@@H](C)c1cccs1 ZINC000053431733 519967482 /nfs/dbraw/zinc/96/74/82/519967482.db2.gz IVYYDJAASFPBHV-LBPRGKRZSA-N 1 0 256.415 2.367 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccccc1-c1nc(C)no1 ZINC000061231020 519968717 /nfs/dbraw/zinc/96/87/17/519968717.db2.gz FIEUBENRZMQXAM-JTQLQIEISA-N 1 0 288.351 2.229 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1cccc(-n2cccn2)c1 ZINC000061230624 519968784 /nfs/dbraw/zinc/96/87/84/519968784.db2.gz OFDQMHGJDBZAOY-LBPRGKRZSA-N 1 0 272.352 2.056 10 0 CEAERO CCC[NH2+]Cc1nnnn1C1CCC(CC)CC1 ZINC000054747108 519969585 /nfs/dbraw/zinc/96/95/85/519969585.db2.gz JJRUFBNXDYWRPE-UHFFFAOYSA-N 1 0 251.378 2.314 10 0 CEAERO CCC[NH2+]Cc1nnnn1[C@@H](c1cccs1)C(C)C ZINC000054747579 519970196 /nfs/dbraw/zinc/97/01/96/519970196.db2.gz QKFPFYMQHNRCRN-CYBMUJFWSA-N 1 0 279.413 2.480 10 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253.342 2.009 10 0 CEAERO CC[NH2+]Cc1sc(N2C[C@@H](C)O[C@@H](C)C2)nc1C ZINC000054995447 520035361 /nfs/dbraw/zinc/03/53/61/520035361.db2.gz LPUDFUZEUDFZJA-AOOOYVTPSA-N 1 0 269.414 2.175 10 0 CEAERO CCOCCOc1ccc(NC(=O)C2CC[NH2+]CC2)cc1 ZINC000066152527 520040473 /nfs/dbraw/zinc/04/04/73/520040473.db2.gz IAKCSGVOOOPRCE-UHFFFAOYSA-N 1 0 292.379 2.040 10 0 CEAERO CCN(C(=O)c1cc(C)ccc1OC)[C@H]1CCC[NH2+]C1 ZINC000052943392 520062941 /nfs/dbraw/zinc/06/29/41/520062941.db2.gz DOLPXJUCUSEQHK-ZDUSSCGKSA-N 1 0 276.380 2.218 10 0 CEAERO CCC[NH2+][C@H](C)c1ccc(NC(=O)N2CC[C@@H](O)C2)cc1 ZINC000061713725 520065113 /nfs/dbraw/zinc/06/51/13/520065113.db2.gz LTGDAVXNZWCSAZ-IUODEOHRSA-N 1 0 291.395 2.346 10 0 CEAERO CCOCC[C@H](C[NH2+]C)Cc1ccc(OC)cc1 ZINC000052975855 520066104 /nfs/dbraw/zinc/06/61/04/520066104.db2.gz ZUUUEGFBIIOIST-AWEZNQCLSA-N 1 0 251.370 2.500 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N[C@H]1CCOc2ccccc21 ZINC000061270960 520066572 /nfs/dbraw/zinc/06/65/72/520066572.db2.gz 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/nfs/dbraw/zinc/07/20/56/520072056.db2.gz LIUQBZGYRRNYEK-NSHDSACASA-N 1 0 251.374 2.028 10 0 CEAERO CC[NH2+][C@@H](C)[C@H]1CCCCN1Cc1cccc(OC)n1 ZINC000070092846 520075084 /nfs/dbraw/zinc/07/50/84/520075084.db2.gz GPJXNNRSAWSJDP-DZGCQCFKSA-N 1 0 277.412 2.443 10 0 CEAERO CC[NH2+][C@@H](C)c1ccccc1OC[C@@H](O)COCC ZINC000069275294 520077634 /nfs/dbraw/zinc/07/76/34/520077634.db2.gz PCHWRERANYGLDS-STQMWFEESA-N 1 0 267.369 2.133 10 0 CEAERO CCC[NH2+][C@H](CN1CCN(C)C1=O)c1ccccc1C ZINC000052885776 520083274 /nfs/dbraw/zinc/08/32/74/520083274.db2.gz HHINVFLOSDDXQG-OAHLLOKOSA-N 1 0 275.396 2.403 10 0 CEAERO CCC[NH2+][C@H](CS(C)(=O)=O)c1ccc(C)cc1C ZINC000054930571 520085095 /nfs/dbraw/zinc/08/50/95/520085095.db2.gz NLVCUGWFIRXDPQ-CQSZACIVSA-N 1 0 269.410 2.389 10 0 CEAERO CC[NH2+][C@@H](CCN1CC[C@H](O)C1)c1ccccc1C ZINC000061711877 520089131 /nfs/dbraw/zinc/08/91/31/520089131.db2.gz BQGAYBILRLYXRO-HOCLYGCPSA-N 1 0 262.397 2.102 10 0 CEAERO CCC[NH2+][C@H](c1cc(C)oc1C)[C@H]1COCCO1 ZINC000055301233 520089227 /nfs/dbraw/zinc/08/92/27/520089227.db2.gz STALXKBCUWVRMI-ZIAGYGMSSA-N 1 0 253.342 2.353 10 0 CEAERO CC[NH2+][C@@H](CCOc1ccccc1[C@@H](C)CC)C(N)=O ZINC000062551007 520094488 /nfs/dbraw/zinc/09/44/88/520094488.db2.gz OOUSZRCTBGPGEC-JSGCOSHPSA-N 1 0 278.396 2.432 10 0 CEAERO CCCCCC[NH2+]CCN1CCN(CC(F)(F)F)CC1 ZINC000053375272 520094741 /nfs/dbraw/zinc/09/47/41/520094741.db2.gz RQSVLSPHBZKXTI-UHFFFAOYSA-N 1 0 295.393 2.336 10 0 CEAERO CCC[NH2+][C@H]1COc2cc(OCC(=O)NC(C)C)ccc21 ZINC000062805228 520097395 /nfs/dbraw/zinc/09/73/95/520097395.db2.gz MVHWEXJVAKHVCF-AWEZNQCLSA-N 1 0 292.379 2.023 10 0 CEAERO CCC[NH2+][C@H]1c2ccc(OC)cc2CC[C@@H]1S(C)(=O)=O ZINC000054930621 520097820 /nfs/dbraw/zinc/09/78/20/520097820.db2.gz YJJFKQZWRJAIOF-GJZGRUSLSA-N 1 0 297.420 2.095 10 0 CEAERO CCC[NH2+][C@H]1COc2cc(O[C@@H](C)C(=O)OC)ccc21 ZINC000062805016 520098249 /nfs/dbraw/zinc/09/82/49/520098249.db2.gz XTOLWBQCCVQZNN-GWCFXTLKSA-N 1 0 279.336 2.060 10 0 CEAERO CCC[NH2+][C@H]1COc2cc(O[C@@H](C)C(=O)NCC)ccc21 ZINC000062805180 520098599 /nfs/dbraw/zinc/09/85/99/520098599.db2.gz DEVVNLMRNIJABN-FZMZJTMJSA-N 1 0 292.379 2.023 10 0 CEAERO CC[NH2+][C@@H](Cc1csc(C)n1)c1ccnn1C ZINC000069467901 520105556 /nfs/dbraw/zinc/10/55/56/520105556.db2.gz XLJLZAOPYHRSGF-NSHDSACASA-N 1 0 250.371 2.078 10 0 CEAERO CC[NH2+][C@@H](c1cc(C)ccc1OC)[C@H]1COCCO1 ZINC000055300885 520107246 /nfs/dbraw/zinc/10/72/46/520107246.db2.gz HVBUBHNZEQVIRV-CABCVRRESA-N 1 0 265.353 2.070 10 0 CEAERO CC[NH2+][C@@H](c1c(F)cc(F)cc1F)[C@H]1COCCO1 ZINC000055300012 520108477 /nfs/dbraw/zinc/10/84/77/520108477.db2.gz HXHFQNGFJBUKON-DGCLKSJQSA-N 1 0 275.270 2.170 10 0 CEAERO CCC[NH2+][C@](C)(C[C@@H](C)n1ccnc1CCC)C(N)=O ZINC000068650286 520112064 /nfs/dbraw/zinc/11/20/64/520112064.db2.gz IMGZJMFRWRSWGI-IUODEOHRSA-N 1 0 280.416 2.030 10 0 CEAERO CCCN[C@](C)(C[C@H](C)[N@H+](C)[C@@H](C)C(C)(C)C)C(N)=O ZINC000068630341 520113665 /nfs/dbraw/zinc/11/36/65/520113665.db2.gz LORLQKBXZOZNHX-HEHGZKQESA-N 1 0 285.476 2.375 10 0 CEAERO CC[NH2+][C@@H]1CCCC[C@H]1S(=O)(=O)c1ccccc1 ZINC000061702652 520118480 /nfs/dbraw/zinc/11/84/80/520118480.db2.gz KTUAHBHUMDULOT-ZIAGYGMSSA-N 1 0 267.394 2.381 10 0 CEAERO CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1CCCS(C)(=O)=O ZINC000063015881 520122057 /nfs/dbraw/zinc/12/20/57/520122057.db2.gz XMQBZWTVODPSSR-FRRDWIJNSA-N 1 0 261.431 2.226 10 0 CEAERO CCC[NH2+][C@](CS[C@H](C)CC)(C(N)=O)C1CC1 ZINC000069185110 520125009 /nfs/dbraw/zinc/12/50/09/520125009.db2.gz ZSOYCXCEXQIOFZ-MFKMUULPSA-N 1 0 258.431 2.152 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1cc2c(cc1F)CCC(=O)N2 ZINC000061270963 520168517 /nfs/dbraw/zinc/16/85/17/520168517.db2.gz RPBPTUKCWBBECI-SECBINFHSA-N 1 0 293.342 2.037 10 0 CEAERO CCCNc1cccc(C(=O)N[C@@H](C)C[NH+](CC)CC)n1 ZINC000051071827 520174105 /nfs/dbraw/zinc/17/41/05/520174105.db2.gz OTEUZTGBCKPHIA-ZDUSSCGKSA-N 1 0 292.427 2.364 10 0 CEAERO CCN(C)C(=O)COc1ccccc1C[NH2+]CC(C)C ZINC000062729411 520179368 /nfs/dbraw/zinc/17/93/68/520179368.db2.gz NFFOCVFDKKSFKE-UHFFFAOYSA-N 1 0 278.396 2.289 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(OCC)c(CS(C)(=O)=O)c1 ZINC000054930485 520179801 /nfs/dbraw/zinc/17/98/01/520179801.db2.gz DHLVZGLGSDXKAQ-LLVKDONJSA-N 1 0 285.409 2.300 10 0 CEAERO CCN[C@H](CC[NH+]1CCC(CC)CC1)C(=O)OCC ZINC000062526316 520189543 /nfs/dbraw/zinc/18/95/43/520189543.db2.gz OYAWHYIJJSNZNJ-CQSZACIVSA-N 1 0 270.417 2.040 10 0 CEAERO CCCNc1ncccc1C[N@H+](CC)CCOC ZINC000052728379 520194912 /nfs/dbraw/zinc/19/49/12/520194912.db2.gz YKBRHAGHMXJORC-UHFFFAOYSA-N 1 0 251.374 2.372 10 0 CEAERO CC[NH2+][C@H](c1ccc(Cl)s1)[C@H]1COCCO1 ZINC000055300159 520207384 /nfs/dbraw/zinc/20/73/84/520207384.db2.gz KOMCAIXWMZSGRX-KCJUWKMLSA-N 1 0 261.774 2.468 10 0 CEAERO CC[NH2+][C@H](c1ccc(OC)c(OC)c1)c1cncnc1 ZINC000052886926 520207481 /nfs/dbraw/zinc/20/74/81/520207481.db2.gz GOIOXOZAYVNKFT-OAHLLOKOSA-N 1 0 273.336 2.193 10 0 CEAERO CC[NH2+][C@H](c1ccc2[nH]c(=O)oc2c1)[C@@H]1CCCCO1 ZINC000050962214 520209607 /nfs/dbraw/zinc/20/96/07/520209607.db2.gz WQLYJWHGZSWJRI-GXTWGEPZSA-N 1 0 276.336 2.341 10 0 CEAERO CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1[C@@H]1CCS(=O)(=O)C1 ZINC000054630911 520219364 /nfs/dbraw/zinc/21/93/64/520219364.db2.gz OELSDGSHRUZYRK-YJNKXOJESA-N 1 0 287.469 2.472 10 0 CEAERO CCCCC[NH2+]C[C@@H](C)N1CCN(CC(F)(F)F)CC1 ZINC000053489135 520223672 /nfs/dbraw/zinc/22/36/72/520223672.db2.gz FJIMVVNFTXBFMQ-CYBMUJFWSA-N 1 0 295.393 2.335 10 0 CEAERO CC[NH2+][C@](C)(C[C@@H](C)Oc1cccc(OCC)c1)C(N)=O ZINC000068658305 520237387 /nfs/dbraw/zinc/23/73/87/520237387.db2.gz ISDMGADESMWQIB-MLGOLLRUSA-N 1 0 294.395 2.096 10 0 CEAERO CCN[C@](C[N@H+](C)C1CCCC1)(C(=O)OCC)C1CC1 ZINC000069097460 520242766 /nfs/dbraw/zinc/24/27/66/520242766.db2.gz SUOBJQVTLQGJKM-INIZCTEOSA-N 1 0 282.428 2.182 10 0 CEAERO CCCO[C@@H]1CCCN(C(=O)[C@@]2(CC)CCC[NH2+]C2)C1 ZINC000062858870 520268007 /nfs/dbraw/zinc/26/80/07/520268007.db2.gz HZDQLXURKKVSFP-ZBFHGGJFSA-N 1 0 282.428 2.184 10 0 CEAERO CCCO[C@H]1CCCN(C(=O)[C@@]2(CC)CCC[NH2+]C2)C1 ZINC000062858871 520282061 /nfs/dbraw/zinc/28/20/61/520282061.db2.gz HZDQLXURKKVSFP-HOCLYGCPSA-N 1 0 282.428 2.184 10 0 CEAERO CCNc1ccc(C(=O)N2CC[NH+](C(C)(C)C)CC2)cn1 ZINC000050789014 520283096 /nfs/dbraw/zinc/28/30/96/520283096.db2.gz AZHCPDHSZIJUJP-UHFFFAOYSA-N 1 0 290.411 2.070 10 0 CEAERO CCN(CC(=O)N(C)C)c1ccccc1C[NH2+]C(C)(C)C ZINC000062737298 520303675 /nfs/dbraw/zinc/30/36/75/520303675.db2.gz YSLOYIMOHVWXKR-UHFFFAOYSA-N 1 0 291.439 2.489 10 0 CEAERO CCNc1cccc(C(=O)N2CC[C@H]([NH+](CC)CC)C2)n1 ZINC000062984842 520333896 /nfs/dbraw/zinc/33/38/96/520333896.db2.gz MOTYVVICLMRFPB-ZDUSSCGKSA-N 1 0 290.411 2.070 10 0 CEAERO CCNc1ccccc1C(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000050779762 520339490 /nfs/dbraw/zinc/33/94/90/520339490.db2.gz CMPFOIAESJHFEC-HNNXBMFYSA-N 1 0 277.412 2.434 10 0 CEAERO CCNc1ncc(C(=O)N[C@H](C)CC[NH+](C)C)cc1Cl ZINC000050788300 520367274 /nfs/dbraw/zinc/36/72/74/520367274.db2.gz YCFQNXKQGDCXSC-SNVBAGLBSA-N 1 0 298.818 2.237 10 0 CEAERO CCNc1ncccc1C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000050791188 520374563 /nfs/dbraw/zinc/37/45/63/520374563.db2.gz LELLMIIYHRYULG-CYBMUJFWSA-N 1 0 290.411 2.118 10 0 CEAERO CCCOc1ccc(C[C@H](C[NH3+])C(=O)NC(C)C)cc1 ZINC000052919419 520376696 /nfs/dbraw/zinc/37/66/96/520376696.db2.gz DERQNJNUNOUIPA-CQSZACIVSA-N 1 0 278.396 2.117 10 0 CEAERO CCCOc1ccc(C[C@@H](C[NH3+])C(=O)N(CC)CC)cc1 ZINC000052919429 520377870 /nfs/dbraw/zinc/37/78/70/520377870.db2.gz KSLIMIRABVHOPV-HNNXBMFYSA-N 1 0 292.423 2.461 10 0 CEAERO CCN(CC(=O)c1cccc(F)c1)C1CC[NH2+]CC1 ZINC000050157798 520387531 /nfs/dbraw/zinc/38/75/31/520387531.db2.gz IONHZUHAJJJYAU-UHFFFAOYSA-N 1 0 264.344 2.082 10 0 CEAERO CCCOc1ccc([C@H]2[C@@H]([NH3+])CCC(=O)N2CC)cc1 ZINC000062211360 520433984 /nfs/dbraw/zinc/43/39/84/520433984.db2.gz VJDFCILISQCCCS-HOCLYGCPSA-N 1 0 276.380 2.486 10 0 CEAERO CCCOc1cccc([C@H](CO)NCC[NH+](CC)CC)c1 ZINC000052921991 520468855 /nfs/dbraw/zinc/46/88/55/520468855.db2.gz QKBXXQPRYCPWAA-KRWDZBQOSA-N 1 0 294.439 2.440 10 0 CEAERO CCN(CC)C(=O)COc1cc(F)ccc1[C@H](C)[NH3+] ZINC000062745855 520490850 /nfs/dbraw/zinc/49/08/50/520490850.db2.gz SENUFDUQBZZBPC-JTQLQIEISA-N 1 0 268.332 2.093 10 0 CEAERO CC1(C)CN([C@@H](C[NH3+])c2ccc3ncccc3c2)CCO1 ZINC000069502520 520492073 /nfs/dbraw/zinc/49/20/73/520492073.db2.gz GXZUUJRGKFLIPI-INIZCTEOSA-N 1 0 285.391 2.345 10 0 CEAERO CCCCN(CC[NH3+])c1ccccc1S(=O)(=O)CCC ZINC000053705249 520507383 /nfs/dbraw/zinc/50/73/83/520507383.db2.gz RMCPEEKYPMCSIS-UHFFFAOYSA-N 1 0 298.452 2.436 10 0 CEAERO CCO[C@H]1CCC[N@H+](Cc2cc(F)ccc2C(N)=S)C1 ZINC000069402918 520527765 /nfs/dbraw/zinc/52/77/65/520527765.db2.gz PCAZZFMLBLXWFU-ZDUSSCGKSA-N 1 0 296.411 2.461 10 0 CEAERO CCCS(=O)(=O)c1ccccc1NC(C)(C)C[NH3+] ZINC000063020869 520545371 /nfs/dbraw/zinc/54/53/71/520545371.db2.gz ISBOWSOOFFPNFW-UHFFFAOYSA-N 1 0 270.398 2.020 10 0 CEAERO CCOC(=O)CC(=O)C[N@H+](C)CC1CCCCC1 ZINC000068813846 520587092 /nfs/dbraw/zinc/58/70/92/520587092.db2.gz ZWMHMGBOHQLRHH-UHFFFAOYSA-N 1 0 255.358 2.021 10 0 CEAERO CCCCNC(=O)[C@H](C)Oc1cccc2c1CC[C@@H]2[NH3+] ZINC000062798703 520670560 /nfs/dbraw/zinc/67/05/60/520670560.db2.gz JDIQOPYRKRRYTQ-FZMZJTMJSA-N 1 0 276.380 2.316 10 0 CEAERO CC[NH+](CC)C[C@@H](O)CN[C@@H]1CCCc2sccc21 ZINC000061362249 520722402 /nfs/dbraw/zinc/72/24/02/520722402.db2.gz VBXVYHCYIBFXHH-GXTWGEPZSA-N 1 0 282.453 2.418 10 0 CEAERO CCOC(=O)CN(Cc1cc(F)ccc1C[NH3+])C(C)C ZINC000069401752 520766661 /nfs/dbraw/zinc/76/66/61/520766661.db2.gz PBKIFGIPRRPWKA-UHFFFAOYSA-N 1 0 282.359 2.058 10 0 CEAERO CC1(c2nc(-c3ccc(O)cc3)no2)CC[NH2+]CC1 ZINC000062843208 520788238 /nfs/dbraw/zinc/78/82/38/520788238.db2.gz ZXQKPEQVZBZZCU-UHFFFAOYSA-N 1 0 259.309 2.083 10 0 CEAERO CCCCOCCOC[C@H]1CC[C@H](C[NH2+]C(C)C)O1 ZINC000052629035 520790393 /nfs/dbraw/zinc/79/03/93/520790393.db2.gz AOQXOXFGURBNAX-HUUCEWRRSA-N 1 0 273.417 2.365 10 0 CEAERO CCCCOCCOC[C@H]1CC[C@H](C[NH2+]CCC)O1 ZINC000052629031 520791295 /nfs/dbraw/zinc/79/12/95/520791295.db2.gz QOZOJMHAYQBAMN-HUUCEWRRSA-N 1 0 273.417 2.367 10 0 CEAERO CCOc1cc2c(cc1[C@@H](O)[C@@H]1CCC[NH2+]1)O[C@H](C)C2 ZINC000070319201 520801705 /nfs/dbraw/zinc/80/17/05/520801705.db2.gz KTWKQHIEZSBLIN-AKWBHNSASA-N 1 0 277.364 2.194 10 0 CEAERO CCC[C@@H](O)[C@H](CC)[N@@H+]1CC[C@H](N2CCCC2)C1 ZINC000062968338 520807710 /nfs/dbraw/zinc/80/77/10/520807710.db2.gz GMCJAZNSPNTFGI-SOUVJXGZSA-N 1 0 254.418 2.096 10 0 CEAERO CCN(CC)[C@@H](C[NH2+]CCCC(=O)NC)c1ccccc1 ZINC000068817605 520838655 /nfs/dbraw/zinc/83/86/55/520838655.db2.gz PFHKXYMTZNPGPP-INIZCTEOSA-N 1 0 291.439 2.185 10 0 CEAERO CC[NH+](CC)[C@@H]1CCN(c2ccc(CO)cc2C)C1 ZINC000062966446 520848904 /nfs/dbraw/zinc/84/89/04/520848904.db2.gz RLCIJMMJCJHZMT-OAHLLOKOSA-N 1 0 262.397 2.408 10 0 CEAERO CCC[C@@]1(C(=O)N[C@@H]2CCOc3ccccc32)CC[NH2+]C1 ZINC000062893106 520943022 /nfs/dbraw/zinc/94/30/22/520943022.db2.gz VAOZCXIKQCYAMO-RHSMWYFYSA-N 1 0 288.391 2.406 10 0 CEAERO CC1CCC(NC(=O)[C@@H]2CC[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000055124526 520950470 /nfs/dbraw/zinc/95/04/70/520950470.db2.gz QMZMULNFRWGZMW-ALMXHQDSSA-N 1 0 252.402 2.445 10 0 CEAERO CCN(CC1CC1)[C@H](C[NH3+])c1cc(OC)ccc1OC ZINC000069237595 520968060 /nfs/dbraw/zinc/96/80/60/520968060.db2.gz DJZICVYJEXJEFV-OAHLLOKOSA-N 1 0 278.396 2.436 10 0 CEAERO CCCC[C@@H](C)[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000050888473 521008312 /nfs/dbraw/zinc/00/83/12/521008312.db2.gz GJEGCKQXPYBQQC-IUODEOHRSA-N 1 0 299.436 2.292 10 0 CEAERO CCCC[C@@H](CC)COCC[C@@H]([NH2+]CCC)C(N)=O ZINC000062543004 521037988 /nfs/dbraw/zinc/03/79/88/521037988.db2.gz BMXMNKVWCGDBCF-ZIAGYGMSSA-N 1 0 272.433 2.463 10 0 CEAERO CCC[C@H](CC)NS(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000050406701 521083371 /nfs/dbraw/zinc/08/33/71/521083371.db2.gz ZNWOXZIYHFKFII-JTQLQIEISA-N 1 0 290.454 2.106 10 0 CEAERO CCOc1ccc(NC(=O)[C@H]2CC[NH2+]C2)cc1OCC ZINC000062112234 521110173 /nfs/dbraw/zinc/11/01/73/521110173.db2.gz YNCNRQMFNRAFFV-NSHDSACASA-N 1 0 278.352 2.032 10 0 CEAERO CCCC[C@H](C)NS(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000050888246 521148712 /nfs/dbraw/zinc/14/87/12/521148712.db2.gz RUMSTQQQUXPWAB-LBPRGKRZSA-N 1 0 284.425 2.143 10 0 CEAERO CCOC(=O)[C@@](C)(C[C@H](C)[NH+]1CCCCC1)NC1CC1 ZINC000068620338 521149636 /nfs/dbraw/zinc/14/96/36/521149636.db2.gz LZYWACPSFCCKQL-XJKSGUPXSA-N 1 0 282.428 2.325 10 0 CEAERO CCCC[C@H](C)NS(=O)(=O)c1cccc2c1CC[NH2+]C2 ZINC000050889780 521149739 /nfs/dbraw/zinc/14/97/39/521149739.db2.gz PJPSXBOKBZJXBZ-LBPRGKRZSA-N 1 0 296.436 2.189 10 0 CEAERO CCC(=O)Nc1ccc(C)c(NC(=O)C(C)(C)[NH2+]C)c1 ZINC000061300704 521199851 /nfs/dbraw/zinc/19/98/51/521199851.db2.gz DHFXCOAANUEKSH-UHFFFAOYSA-N 1 0 277.368 2.280 10 0 CEAERO CCOC(=O)[C@H](C)Oc1cccc2c1CC[C@@H]2[NH2+]C ZINC000062799021 521217450 /nfs/dbraw/zinc/21/74/50/521217450.db2.gz XZBMVLMCQGGNLT-GWCFXTLKSA-N 1 0 263.337 2.224 10 0 CEAERO CCOc1ccc([C@@H]([NH2+]C)[C@@H]2COCCO2)cc1OCC ZINC000055299470 521231000 /nfs/dbraw/zinc/23/10/00/521231000.db2.gz JTQDPKPSUUQUCI-JKSUJKDBSA-N 1 0 295.379 2.160 10 0 CEAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+]C[C@H](C)CSC ZINC000069447870 521332572 /nfs/dbraw/zinc/33/25/72/521332572.db2.gz ZFSNMBHSBYEZDS-WDEREUQCSA-N 1 0 260.447 2.268 10 0 CEAERO CCOC(=O)[C@](C[N@H+](C)CC1CCCCC1)(NC)C1CC1 ZINC000069183937 521338079 /nfs/dbraw/zinc/33/80/79/521338079.db2.gz FZODANBWPHJFKJ-QGZVFWFLSA-N 1 0 296.455 2.430 10 0 CEAERO CCOC(=O)[C@](N)(C[NH+]1CCC(C)(CC)CC1)C1CC1 ZINC000069232504 521344953 /nfs/dbraw/zinc/34/49/53/521344953.db2.gz DNYIABAEOVPJDY-INIZCTEOSA-N 1 0 282.428 2.169 10 0 CEAERO CCOC(=O)[C@](N)(C[NH+]1CCC(C(C)(C)C)CC1)C1CC1 ZINC000069231570 521345252 /nfs/dbraw/zinc/34/52/52/521345252.db2.gz ZRINCTJIYLNNIO-KRWDZBQOSA-N 1 0 296.455 2.415 10 0 CEAERO CCOc1cccc(C[NH2+]CCOC)c1OCCCOC ZINC000062732759 521361570 /nfs/dbraw/zinc/36/15/70/521361570.db2.gz WIJNNYZTANIQRO-UHFFFAOYSA-N 1 0 297.395 2.237 10 0 CEAERO CCOc1cccc(OCc2cc[nH+]c(NN)c2)c1 ZINC000052730669 521403907 /nfs/dbraw/zinc/40/39/07/521403907.db2.gz HGYBLZAUKNLXJQ-UHFFFAOYSA-N 1 0 259.309 2.345 10 0 CEAERO CCCN(C(=O)c1ccc2c(c1)CCO2)[C@@H]1CCC[NH2+]C1 ZINC000050891989 521443987 /nfs/dbraw/zinc/44/39/87/521443987.db2.gz LXZOUSGBYKPVFM-OAHLLOKOSA-N 1 0 288.391 2.226 10 0 CEAERO CCOc1ccccc1CCNC(=O)[C@H]([NH3+])[C@@H](C)CC ZINC000155561369 521473875 /nfs/dbraw/zinc/47/38/75/521473875.db2.gz JAWVXAVCFFKIQT-SWLSCSKDSA-N 1 0 278.396 2.117 10 0 CEAERO CCC(CC)(c1nnnn1CCC[NH3+])c1ccccc1 ZINC000062784039 521479151 /nfs/dbraw/zinc/47/91/51/521479151.db2.gz CAJDAYJCBFEYAE-UHFFFAOYSA-N 1 0 273.384 2.128 10 0 CEAERO CCN1C(=O)C[C@H]([NH3+])[C@@H]1c1c(F)cccc1Cl ZINC000062209196 521525123 /nfs/dbraw/zinc/52/51/23/521525123.db2.gz YUVFMRWUTFWWJY-JOYOIKCWSA-N 1 0 256.708 2.100 10 0 CEAERO CCCc1nc(N2CCOC[C@H]2C)sc1C[NH2+]CC ZINC000054997299 521532818 /nfs/dbraw/zinc/53/28/18/521532818.db2.gz QWECVLQYDUICQH-LLVKDONJSA-N 1 0 283.441 2.430 10 0 CEAERO CCCc1nc(N2C[C@H](C)O[C@@H](C)C2)sc1C[NH2+]C ZINC000054995519 521533744 /nfs/dbraw/zinc/53/37/44/521533744.db2.gz QPPDBARBVBJYPN-QWRGUYRKSA-N 1 0 283.441 2.429 10 0 CEAERO CCCC1N=NC(=S)N1[C@H](C)C[NH+]1CCCC1 ZINC000049184516 521569806 /nfs/dbraw/zinc/56/98/06/521569806.db2.gz KJPPWWWGGMMZIV-SNVBAGLBSA-N 1 0 254.403 2.176 10 0 CEAERO CCCC1N=NC(=S)N1C[C@@H](C)C[NH+]1CCCC1 ZINC000062079421 521570405 /nfs/dbraw/zinc/57/04/05/521570405.db2.gz UTJRJJBWJZBHHL-NSHDSACASA-N 1 0 268.430 2.251 10 0 CEAERO CCCn1c(S[C@@H](c2ccc(C)o2)[C@@H](C)[NH3+])n[nH]c1=O ZINC000061594893 521634976 /nfs/dbraw/zinc/63/49/76/521634976.db2.gz GTAXAAOVFSMNQI-MWLCHTKSSA-N 1 0 296.396 2.063 10 0 CEAERO CCS(=O)(=O)CC[C@@H](C[NH2+]C)Cc1ccc(F)cc1 ZINC000052974796 521644655 /nfs/dbraw/zinc/64/46/55/521644655.db2.gz YQOXMQGZEKFNRW-CYBMUJFWSA-N 1 0 287.400 2.029 10 0 CEAERO CCC[NH+](CCC)C[C@@](NC)(C(=O)OCC)C1CC1 ZINC000069095608 521648317 /nfs/dbraw/zinc/64/83/17/521648317.db2.gz PVGCUGWCYRNQIX-HNNXBMFYSA-N 1 0 270.417 2.040 10 0 CEAERO CCC1(C(=O)N(C)c2ccccc2OC)CC[NH2+]CC1 ZINC000062850174 521660211 /nfs/dbraw/zinc/66/02/11/521660211.db2.gz FFKXTPDMCCOIGA-UHFFFAOYSA-N 1 0 276.380 2.438 10 0 CEAERO CCC[N@H+](CCO)[C@H](CC(N)=S)c1ccccc1 ZINC000055024972 521668450 /nfs/dbraw/zinc/66/84/50/521668450.db2.gz XGAQDHLGGUESNI-CYBMUJFWSA-N 1 0 266.410 2.108 10 0 CEAERO CCC1(C(=O)N[C@H]2C[C@H]2c2ccccc2)CC[NH2+]CC1 ZINC000062850093 521671258 /nfs/dbraw/zinc/67/12/58/521671258.db2.gz WHMRWONHPAWLGR-GJZGRUSLSA-N 1 0 272.392 2.439 10 0 CEAERO CCN1CC[NH+](C[C@@H]2C[C@@H](C(C)C)CC[C@@H]2O)CC1 ZINC000054560752 521685665 /nfs/dbraw/zinc/68/56/65/521685665.db2.gz MQORBXSUWZGWHT-JYJNAYRXSA-N 1 0 268.445 2.057 10 0 CEAERO CCC1(CC)CC[NH+](C[C@](N)(C(=O)OC)C2CC2)CC1 ZINC000069232547 521687780 /nfs/dbraw/zinc/68/77/80/521687780.db2.gz DLWOETCMTZGIBP-MRXNPFEDSA-N 1 0 282.428 2.169 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]C)[C@@H]1c1ccc(SC)cc1 ZINC000070288091 521706091 /nfs/dbraw/zinc/70/60/91/521706091.db2.gz PZOLVLIDPMXETB-GJZGRUSLSA-N 1 0 280.437 2.390 10 0 CEAERO CCN1CCO[C@H](C[NH2+]C)[C@@H]1c1ccc(Cl)cc1 ZINC000070288062 521708891 /nfs/dbraw/zinc/70/88/91/521708891.db2.gz WJJJCJKFDKHOHF-KGLIPLIRSA-N 1 0 268.788 2.321 10 0 CEAERO CCNC(=O)CCOc1cccc(C[NH2+]C(C)C)c1 ZINC000051757032 521736002 /nfs/dbraw/zinc/73/60/02/521736002.db2.gz SWNWVKMDDGXURD-UHFFFAOYSA-N 1 0 264.369 2.090 10 0 CEAERO COC(=O)c1c(NC(=O)CCCC[NH3+])sc2c1CCC2 ZINC000070203498 521763406 /nfs/dbraw/zinc/76/34/06/521763406.db2.gz UHVIVCXZLUZITR-UHFFFAOYSA-N 1 0 296.392 2.091 10 0 CEAERO COc1c(C)cnc(CN[C@@H](C)C[NH+]2CCCC2)c1C ZINC000049180428 521811889 /nfs/dbraw/zinc/81/18/89/521811889.db2.gz FOEUNLNAMJOBHY-ZDUSSCGKSA-N 1 0 277.412 2.281 10 0 CEAERO COCC[C@@H]([NH3+])c1nc(-c2c(F)cccc2F)c[nH]1 ZINC000052811234 521833433 /nfs/dbraw/zinc/83/34/33/521833433.db2.gz RMCMAPVYKAZIBG-SNVBAGLBSA-N 1 0 267.279 2.391 10 0 CEAERO C[NH+](C)C[C@@H]1CCCN1CCNc1ccccc1F ZINC000061655128 521837435 /nfs/dbraw/zinc/83/74/35/521837435.db2.gz NSNFIPDDVJBDLH-ZDUSSCGKSA-N 1 0 265.376 2.264 10 0 CEAERO CCc1ccccc1C[NH2+]CCCN(CC)S(C)(=O)=O ZINC000052202942 521839997 /nfs/dbraw/zinc/83/99/97/521839997.db2.gz JBDAJXJTTAPEPS-UHFFFAOYSA-N 1 0 298.452 2.010 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1c1ccc(N)c2cccnc21 ZINC000061642845 521873775 /nfs/dbraw/zinc/87/37/75/521873775.db2.gz KPKMPARVEWUGCC-GFCCVEGCSA-N 1 0 270.380 2.347 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N1CCC[C@H]1c1cccc(OC)c1 ZINC000061317039 521933273 /nfs/dbraw/zinc/93/32/73/521933273.db2.gz GJQSOBSYPDEVNC-AWEZNQCLSA-N 1 0 276.380 2.357 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N1CCC(c2ccccc2)CC1 ZINC000061317068 521933837 /nfs/dbraw/zinc/93/38/37/521933837.db2.gz DFYKJTZDONNFCG-UHFFFAOYSA-N 1 0 260.381 2.391 10 0 CEAERO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1OC ZINC000054627590 521955455 /nfs/dbraw/zinc/95/54/55/521955455.db2.gz URFFGUCRJSYZES-GOOCMWNKSA-N 1 0 260.381 2.410 10 0 CEAERO C[NH2+]CC1(CCCOCC(F)(F)F)CCOCC1 ZINC000061674080 521966871 /nfs/dbraw/zinc/96/68/71/521966871.db2.gz QIELDYSYGXPRHK-UHFFFAOYSA-N 1 0 269.307 2.362 10 0 CEAERO CC[C@@H](C)C[NH2+]C[C@H](O)c1ccc2c(c1)OCO2 ZINC000054471269 521995730 /nfs/dbraw/zinc/99/57/30/521995730.db2.gz HLLGGXOIBMCBLY-PWSUYJOCSA-N 1 0 251.326 2.084 10 0 CEAERO C[NH2+]CCCc1nnc(Cc2ccc(Cl)cc2)o1 ZINC000050616782 522003287 /nfs/dbraw/zinc/00/32/87/522003287.db2.gz RPULMHMDOMQZLI-UHFFFAOYSA-N 1 0 265.744 2.466 10 0 CEAERO C[NH2+]CC[C@@H](C)N1CCc2cc(OC)c(OC)cc2C1 ZINC000052417241 522016290 /nfs/dbraw/zinc/01/62/90/522016290.db2.gz KBUYVMGUHQQCRC-GFCCVEGCSA-N 1 0 278.396 2.060 10 0 CEAERO C[NH2+]CCc1nc2ccccc2n1CC(F)(F)F ZINC000052125687 522020125 /nfs/dbraw/zinc/02/01/25/522020125.db2.gz MZAQCHCFMNCLHN-UHFFFAOYSA-N 1 0 257.259 2.361 10 0 CEAERO C[NH2+]C[C@@H](C)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000052443427 522031391 /nfs/dbraw/zinc/03/13/91/522031391.db2.gz MDXWNMOFTUIOOH-GFCCVEGCSA-N 1 0 267.804 2.070 10 0 CEAERO C[NH2+]C[C@@H](C)c1c(C)nc(-c2cccnc2)nc1C ZINC000054854667 522032425 /nfs/dbraw/zinc/03/24/25/522032425.db2.gz QILOLYULHJLEQA-SNVBAGLBSA-N 1 0 256.353 2.478 10 0 CEAERO C[NH2+]C[C@H](OCCOC(C)C)c1cccc(OC)c1 ZINC000050495310 522076133 /nfs/dbraw/zinc/07/61/33/522076133.db2.gz FPGBNABJWMRCLQ-HNNXBMFYSA-N 1 0 267.369 2.397 10 0 CEAERO CC[C@@H](C)N(CCOC)C(=O)CC1CCC([NH3+])CC1 ZINC000055140623 522087810 /nfs/dbraw/zinc/08/78/10/522087810.db2.gz RMSUCYLMUQLKRV-IYXRBSQSSA-N 1 0 270.417 2.168 10 0 CEAERO C[NH2+]C[C@H]1CC[C@@H](COCc2ccccc2F)O1 ZINC000069286260 522092801 /nfs/dbraw/zinc/09/28/01/522092801.db2.gz AGZHPYAXFSCOTN-OLZOCXBDSA-N 1 0 253.317 2.109 10 0 CEAERO C[NH2+]C[C@H]1CC[C@@H](Cn2cnc3cc(C)c(C)cc32)O1 ZINC000052575692 522095897 /nfs/dbraw/zinc/09/58/97/522095897.db2.gz PGSHLTXCDWIBDM-KGLIPLIRSA-N 1 0 273.380 2.420 10 0 CEAERO C[NH2+]C[C@H]1CC[C@@H](COc2cccc(Cl)c2)O1 ZINC000052674535 522096260 /nfs/dbraw/zinc/09/62/60/522096260.db2.gz QBCZPTBSBQXZNJ-OLZOCXBDSA-N 1 0 255.745 2.486 10 0 CEAERO C[NH2+]Cc1cc(COc2cc(F)cc(F)c2)on1 ZINC000054934599 522111348 /nfs/dbraw/zinc/11/13/48/522111348.db2.gz JOBFNDBOKVMSCX-UHFFFAOYSA-N 1 0 254.236 2.251 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(C(=O)c2c(C)cccc2N)CC1 ZINC000055063467 522114362 /nfs/dbraw/zinc/11/43/62/522114362.db2.gz UAKCZRDZSGFJPQ-CYBMUJFWSA-N 1 0 275.396 2.134 10 0 CEAERO C[NH2+]Cc1nc(CN2Cc3ccccc3C2)cs1 ZINC000052374174 522151426 /nfs/dbraw/zinc/15/14/26/522151426.db2.gz IAOVLQOWNNDOMN-UHFFFAOYSA-N 1 0 259.378 2.378 10 0 CEAERO C[NH2+]Cc1sc(N2CCSC[C@@H]2C)nc1C ZINC000069762156 522167421 /nfs/dbraw/zinc/16/74/21/522167421.db2.gz DFTFZJMEQMZVLY-QMMMGPOBSA-N 1 0 257.428 2.113 10 0 CEAERO C[NH2+]Cc1sc(N2CCC(OC)CC2)nc1C1CC1 ZINC000069146987 522167769 /nfs/dbraw/zinc/16/77/69/522167769.db2.gz QWFPLGAAOZUXIB-UHFFFAOYSA-N 1 0 281.425 2.355 10 0 CEAERO CC[C@H](C[NH2+]CC(C)C)N1CCN(c2nccs2)CC1 ZINC000052417635 522194222 /nfs/dbraw/zinc/19/42/22/522194222.db2.gz LWEUYILEOIMTFW-CQSZACIVSA-N 1 0 296.484 2.289 10 0 CEAERO COc1cc(C)c(NC(=O)C2(C)CC[NH2+]CC2)cc1OC ZINC000062840198 522200976 /nfs/dbraw/zinc/20/09/76/522200976.db2.gz KKHYXRVMYBZNBQ-UHFFFAOYSA-N 1 0 292.379 2.340 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(F)cc1O[C@@H](C)C(=O)NC1CC1 ZINC000062746502 522333613 /nfs/dbraw/zinc/33/36/13/522333613.db2.gz KIVVYXBSMJTCPF-UWVGGRQHSA-N 1 0 280.343 2.152 10 0 CEAERO CC[C@H](N)[C@@H]([N@@H+]1CCC[C@@H]1CCCO)C(C)(C)C ZINC000052757389 522337575 /nfs/dbraw/zinc/33/75/75/522337575.db2.gz MBXZQGKVWSSZCA-HZSPNIEDSA-N 1 0 256.434 2.375 10 0 CEAERO CC[C@H]([NH3+])Cc1nccn1Cc1ccc(OC)c(OC)c1 ZINC000062803029 522337681 /nfs/dbraw/zinc/33/76/81/522337681.db2.gz PZYPASHPVAJSFP-ZDUSSCGKSA-N 1 0 289.379 2.228 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1cnn(C)c1)N(C)C(C)(C)CC ZINC000069427661 522341886 /nfs/dbraw/zinc/34/18/86/522341886.db2.gz NFVVVTMFJNCBAO-QWHCGFSZSA-N 1 0 252.406 2.319 10 0 CEAERO CC[C@H]([NH3+])[C@@](O)(c1ccc(OC)c(OC)c1)C(F)(F)F ZINC000062784319 522342022 /nfs/dbraw/zinc/34/20/22/522342022.db2.gz SMNNJZKGHWYJOB-RYUDHWBXSA-N 1 0 293.285 2.191 10 0 CEAERO CC[C@H]([NH3+])[C@](O)(c1ccc(OC)cc1)C(F)(F)F ZINC000062784389 522346655 /nfs/dbraw/zinc/34/66/55/522346655.db2.gz KTZHAMJYMJZPDP-WDEREUQCSA-N 1 0 263.259 2.182 10 0 CEAERO C[NH2+][C@@H](CCOc1ccc(C(C)(C)C)cc1C)C(N)=O ZINC000062594759 522347502 /nfs/dbraw/zinc/34/75/02/522347502.db2.gz ZNTUZYBWELTMQF-ZDUSSCGKSA-N 1 0 278.396 2.135 10 0 CEAERO CC[C@H](NC(=O)C1CC[NH2+]CC1)c1cccs1 ZINC000049532081 522368805 /nfs/dbraw/zinc/36/88/05/522368805.db2.gz VMAQZNKQTGMGSC-NSHDSACASA-N 1 0 252.383 2.315 10 0 CEAERO C[NH2+][C@@H](c1ccc2c(c1)CCC(=O)N2)[C@H]1CCCOC1 ZINC000062231432 522369369 /nfs/dbraw/zinc/36/93/69/522369369.db2.gz APNSFVXTQHCFRF-BBRMVZONSA-N 1 0 274.364 2.258 10 0 CEAERO CCc1nc(N2CCOC[C@H]2CC)sc1C[NH2+]C ZINC000054997925 522387622 /nfs/dbraw/zinc/38/76/22/522387622.db2.gz MFUHAYPIEHVIBG-SNVBAGLBSA-N 1 0 269.414 2.040 10 0 CEAERO CCc1nc(N2CCOC(C)(C)C2)sc1C[NH2+]C ZINC000054997850 522388336 /nfs/dbraw/zinc/38/83/36/522388336.db2.gz KGSCLCQFBFIBBK-UHFFFAOYSA-N 1 0 269.414 2.040 10 0 CEAERO CCc1nc(N2[C@@H]3CC[C@H]2CC([NH3+])C3)sc1C ZINC000054628896 522390122 /nfs/dbraw/zinc/39/01/22/522390122.db2.gz CBTOZYZZHUMWHE-FGWVZKOKSA-N 1 0 251.399 2.472 10 0 CEAERO COC[C@@H](O)CN(C)c1ccc(F)cc1C[NH2+]CC(C)C ZINC000062737682 522400454 /nfs/dbraw/zinc/40/04/54/522400454.db2.gz AGHYYKFFMREBEF-HNNXBMFYSA-N 1 0 298.402 2.015 10 0 CEAERO CC[C@@H](C)[C@H]1C[NH2+][C@H](C(C)C)CN1CCn1cccn1 ZINC000068703067 522402708 /nfs/dbraw/zinc/40/27/08/522402708.db2.gz KPWCNSBJXAJGID-OWCLPIDISA-N 1 0 278.444 2.228 10 0 CEAERO C[NH2+][C@@](C)(CCCSc1cccc(C)c1)C(N)=O ZINC000045595622 522411514 /nfs/dbraw/zinc/41/15/14/522411514.db2.gz OQTKTMZWYRZYQR-AWEZNQCLSA-N 1 0 266.410 2.331 10 0 CEAERO C[NH2+][C@H](CN1CCCOCC1)c1cc(C)ccc1C ZINC000061917942 522465414 /nfs/dbraw/zinc/46/54/14/522465414.db2.gz VIVZYFTVBJXRMT-MRXNPFEDSA-N 1 0 262.397 2.286 10 0 CEAERO CC[C@@H](C[NH2+]C)N1CCN(c2cccc(Cl)c2)CC1 ZINC000052418983 522546137 /nfs/dbraw/zinc/54/61/37/522546137.db2.gz RVCQSKLKZPSAGU-AWEZNQCLSA-N 1 0 281.831 2.460 10 0 CEAERO CC[C@@H](C[NH2+]C(C)C)Oc1ccc(S(C)(=O)=O)cc1 ZINC000052702008 522546412 /nfs/dbraw/zinc/54/64/12/522546412.db2.gz WSEHODOVPKZDSW-LBPRGKRZSA-N 1 0 285.409 2.246 10 0 CEAERO CC[C@H]([NH2+]C)c1cccc(S(=O)(=O)NC2CCC2)c1 ZINC000052212706 522556044 /nfs/dbraw/zinc/55/60/44/522556044.db2.gz CEXBXTWLMUTFJC-AWEZNQCLSA-N 1 0 282.409 2.188 10 0 CEAERO CC[C@H]([NH2+]C)c1c(C)nn(C[C@@H]2CCOC2)c1C ZINC000054718714 522556832 /nfs/dbraw/zinc/55/68/32/522556832.db2.gz JLFDUIWHSAIJSM-STQMWFEESA-N 1 0 251.374 2.207 10 0 CEAERO CN(CC(F)(F)F)c1nc2c(s1)[C@@H]([NH3+])CCC2 ZINC000054896140 522577519 /nfs/dbraw/zinc/57/75/19/522577519.db2.gz LOSZVIFWSGAQOC-LURJTMIESA-N 1 0 265.304 2.478 10 0 CEAERO COc1cc(F)ccc1N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000054629244 522599834 /nfs/dbraw/zinc/59/98/34/522599834.db2.gz SPAJWXBPSZVVDE-YOGCLGLASA-N 1 0 250.317 2.293 10 0 CEAERO CNc1ccc(C)cc1C(=O)NCC[NH+]1CCCCC1 ZINC000053003327 522603529 /nfs/dbraw/zinc/60/35/29/522603529.db2.gz MWHVJFBEKZJIRR-UHFFFAOYSA-N 1 0 275.396 2.252 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccnc(Cc2nc(C)cs2)n1 ZINC000055270014 522644724 /nfs/dbraw/zinc/64/47/24/522644724.db2.gz HVTMBCHBIJFDCH-SNVBAGLBSA-N 1 0 262.382 2.112 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccncc1)N1CCC[C@@H]1CCCO ZINC000052757224 522653188 /nfs/dbraw/zinc/65/31/88/522653188.db2.gz KXMAMQVNXFEJAO-OAGGEKHMSA-N 1 0 277.412 2.097 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1ncnc2[nH]cnc21)C(F)(F)F ZINC000051036388 522653594 /nfs/dbraw/zinc/65/35/94/522653594.db2.gz VLJKBNYTAHWMLD-VDTYLAMSSA-N 1 0 291.302 2.113 10 0 CEAERO CN(CCC1CC[NH2+]CC1)C(=O)c1ccc2c(c1)CCO2 ZINC000050892058 522712008 /nfs/dbraw/zinc/71/20/08/522712008.db2.gz NUZWSCFTJAPIQQ-UHFFFAOYSA-N 1 0 288.391 2.083 10 0 CEAERO CC[C@H]([NH2+][C@H](C)C(=O)N1CCOCC1)C1CCCCC1 ZINC000052339508 522730533 /nfs/dbraw/zinc/73/05/33/522730533.db2.gz BKYAYBCZXZHCIB-HIFRSBDPSA-N 1 0 282.428 2.182 10 0 CEAERO CC[C@@H](NC(=O)[C@H]1CCCC[NH2+]1)c1cccs1 ZINC000049532090 522769043 /nfs/dbraw/zinc/76/90/43/522769043.db2.gz KOCSXBYOYPBAIN-GHMZBOCLSA-N 1 0 252.383 2.458 10 0 CEAERO COC[C@H](O)CN(C)c1ccccc1C[NH2+]C(C)(C)C ZINC000062737707 522782413 /nfs/dbraw/zinc/78/24/13/522782413.db2.gz IWUBEGPBDXLLEA-CQSZACIVSA-N 1 0 280.412 2.018 10 0 CEAERO C[N@H+](CCCc1ccccc1)CCn1cc(N)cn1 ZINC000050614730 522796517 /nfs/dbraw/zinc/79/65/17/522796517.db2.gz HXUUPMDVMXJCQX-UHFFFAOYSA-N 1 0 258.369 2.030 10 0 CEAERO CN(CC[NH2+]C[C@@H]1CCOC1)Cc1ccc(Cl)s1 ZINC000053424689 522866172 /nfs/dbraw/zinc/86/61/72/522866172.db2.gz HXNUCOAFEUTYJE-NSHDSACASA-N 1 0 288.844 2.459 10 0 CEAERO CN(CC[NH2+]Cc1ccccc1)Cc1cscn1 ZINC000053390410 522867518 /nfs/dbraw/zinc/86/75/18/522867518.db2.gz JXZKIEQMGPBITI-UHFFFAOYSA-N 1 0 261.394 2.365 10 0 CEAERO CC[C@@H](NS(=O)(=O)c1ccc(C[NH2+]C)cc1)C(C)C ZINC000049147482 522902617 /nfs/dbraw/zinc/90/26/17/522902617.db2.gz LFOXWXSGUDNKQW-CQSZACIVSA-N 1 0 284.425 2.119 10 0 CEAERO CC[C@@H]([NH2+][C@H](C)c1cccc(Br)c1)C(N)=O ZINC000061676815 522939049 /nfs/dbraw/zinc/93/90/49/522939049.db2.gz LIEPTAIIHDREQJ-LDYMZIIASA-N 1 0 285.185 2.364 10 0 CEAERO CN(C[C@@H]1CCCO1)c1ccc(Cl)cc1C(N)=[NH2+] ZINC000052860114 523055638 /nfs/dbraw/zinc/05/56/38/523055638.db2.gz WRTCLRXTHLGVMY-JTQLQIEISA-N 1 0 267.760 2.239 10 0 CEAERO COC(=O)CC[C@H]([NH3+])Cc1ccc(OC(C)C)cc1 ZINC000061893259 523114742 /nfs/dbraw/zinc/11/47/42/523114742.db2.gz CXLVGGKHLROIPJ-ZDUSSCGKSA-N 1 0 265.353 2.297 10 0 CEAERO C[N@@H+](Cc1cc(F)ccc1C(N)=S)C[C@@H]1CCCOC1 ZINC000069403302 523179338 /nfs/dbraw/zinc/17/93/38/523179338.db2.gz ZNWMXNBRZNHVIO-NSHDSACASA-N 1 0 296.411 2.318 10 0 CEAERO COCc1nc(C)c([C@H](C)C[NH2+]C(C)C)c(C)n1 ZINC000054855007 523189532 /nfs/dbraw/zinc/18/95/32/523189532.db2.gz WWBYVANKLBMMAA-SNVBAGLBSA-N 1 0 251.374 2.341 10 0 CEAERO CCn1c(S[C@H](c2sccc2C)[C@H](C)[NH3+])n[nH]c1=O ZINC000061594291 523247164 /nfs/dbraw/zinc/24/71/64/523247164.db2.gz OGTDXSRNHOGOIY-WPRPVWTQSA-N 1 0 298.437 2.142 10 0 CEAERO CC[C@H]1CN(c2ccc(C[NH2+]CC(C)C)cn2)CCO1 ZINC000051444673 523306764 /nfs/dbraw/zinc/30/67/64/523306764.db2.gz IPVHNPDLDWZHNH-HNNXBMFYSA-N 1 0 277.412 2.442 10 0 CEAERO CN(Cc1cccc(F)c1)Cc1ccnc(C(N)=[NH2+])c1 ZINC000068761070 523312419 /nfs/dbraw/zinc/31/24/19/523312419.db2.gz PRPKICUEABQZNU-UHFFFAOYSA-N 1 0 272.327 2.137 10 0 CEAERO CC[C@H]1COCCN1[C@@H](C[NH3+])c1cccc2cccnc21 ZINC000069502532 523334525 /nfs/dbraw/zinc/33/45/25/523334525.db2.gz HMULLCBSNMREDZ-HOCLYGCPSA-N 1 0 285.391 2.345 10 0 CEAERO CC[C@H]1COCCN1c1cc(Cl)ccc1C(N)=[NH2+] ZINC000062788832 523338194 /nfs/dbraw/zinc/33/81/94/523338194.db2.gz GWLHUJJBEVIFOW-JTQLQIEISA-N 1 0 267.760 2.239 10 0 CEAERO CC[C@H]1CO[C@@H](C)CN1Cc1cc(C)c(C[NH2+]C)o1 ZINC000052571294 523343905 /nfs/dbraw/zinc/34/39/05/523343905.db2.gz SOBJLPNAAOGTKZ-STQMWFEESA-N 1 0 266.385 2.307 10 0 CEAERO CN(Cc1ccccc1F)c1ncc(C[NH3+])s1 ZINC000054897892 523373219 /nfs/dbraw/zinc/37/32/19/523373219.db2.gz SJXJBMPUFBPQKV-UHFFFAOYSA-N 1 0 251.330 2.377 10 0 CEAERO COCCC[NH2+]C[C@H](C)n1ccc(C(F)(F)F)n1 ZINC000053533680 523376926 /nfs/dbraw/zinc/37/69/26/523376926.db2.gz FRQXQOXITNOXOG-VIFPVBQESA-N 1 0 265.279 2.089 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C)CN1Cc1ccc(OC)c(OC)c1 ZINC000068697261 523486424 /nfs/dbraw/zinc/48/64/24/523486424.db2.gz XDBFILUKYXPWHD-GXTWGEPZSA-N 1 0 278.396 2.276 10 0 CEAERO CC[C@@H]1COCCN1CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052181963 523499814 /nfs/dbraw/zinc/49/98/14/523499814.db2.gz XHRXNGABIKZCSC-OAHLLOKOSA-N 1 0 298.471 2.282 10 0 CEAERO CC[C@@H]1CO[C@@H](C)CN1Cc1cc(C[NH3+])oc1C ZINC000052571057 523506868 /nfs/dbraw/zinc/50/68/68/523506868.db2.gz RLTUJPFTXNLYBK-GXFFZTMASA-N 1 0 252.358 2.046 10 0 CEAERO CC[C@@](C)(C[NH2+]C1CC1)Cc1nnnn1-c1ccccc1 ZINC000054661452 523640358 /nfs/dbraw/zinc/64/03/58/523640358.db2.gz XLCCDVZRDQWLFX-MRXNPFEDSA-N 1 0 285.395 2.373 10 0 CEAERO COC(=O)[C@@H](c1ccccc1)n1c(N)[nH+]c2ccccc21 ZINC000050512252 523656749 /nfs/dbraw/zinc/65/67/49/523656749.db2.gz HLRRACVPSFSNJY-CQSZACIVSA-N 1 0 281.315 2.381 10 0 CEAERO COc1ccc(C(=O)N2[C@H](C)CCC[C@@H]2C[NH3+])c(OC)c1 ZINC000070151753 523675913 /nfs/dbraw/zinc/67/59/13/523675913.db2.gz LUXWFEHACGVUFO-VXGBXAGGSA-N 1 0 292.379 2.046 10 0 CEAERO CC[C@@]1(C(=O)Nc2cccc3n[nH]cc32)CCC[NH2+]C1 ZINC000062856319 523698979 /nfs/dbraw/zinc/69/89/79/523698979.db2.gz FYAPKALSQXTCCL-OAHLLOKOSA-N 1 0 272.352 2.281 10 0 CEAERO CCc1c(C)nn([C@H](C)C[C@](C)([NH2+]C2CC2)C(N)=O)c1C ZINC000068649183 523716548 /nfs/dbraw/zinc/71/65/48/523716548.db2.gz GCQDTQMYXRISHM-HWPZZCPQSA-N 1 0 292.427 2.009 10 0 CEAERO CO[C@@H]1C[NH2+][C@@H](c2nc(Cc3ccc(C)c(C)c3)no2)C1 ZINC000061681082 523742499 /nfs/dbraw/zinc/74/24/99/523742499.db2.gz WZEGZDFZOBMKFC-UONOGXRCSA-N 1 0 287.363 2.327 10 0 CEAERO CCn1nccc1[C@@H](Cc1csc(C)n1)[NH2+]C ZINC000069472260 523744481 /nfs/dbraw/zinc/74/44/81/523744481.db2.gz GWLONSKLKZNVTH-LLVKDONJSA-N 1 0 250.371 2.171 10 0 CEAERO COCC[N@H+](Cc1ccc(Cl)cc1N)[C@H](C)COC ZINC000050443189 523748952 /nfs/dbraw/zinc/74/89/52/523748952.db2.gz XLSYBYCKNTTZDN-LLVKDONJSA-N 1 0 286.803 2.406 10 0 CEAERO C[NH+]1CCC(CNc2cc(C(N)=O)ccc2Cl)CC1 ZINC000054240978 523764582 /nfs/dbraw/zinc/76/45/82/523764582.db2.gz BNJISJMFPPOBMS-UHFFFAOYSA-N 1 0 281.787 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278.396 2.038 10 0 CEAERO CC[C@H](C)[NH+]1CCN(Cc2cc(F)ccc2N)CC1 ZINC000055063400 523956223 /nfs/dbraw/zinc/95/62/23/523956223.db2.gz LOVQTZKFKRBQFJ-LBPRGKRZSA-N 1 0 265.376 2.324 10 0 CEAERO COCC[NH2+][C@@](C)(CO)c1cc(Cl)ccc1Cl ZINC000053292519 523961188 /nfs/dbraw/zinc/96/11/88/523961188.db2.gz SKTHBSNMOVBDND-LBPRGKRZSA-N 1 0 278.179 2.437 10 0 CEAERO COC(=O)[C@](C)(C[N@@H+]1CCC[C@@H](C)[C@H]1C)NC(C)C ZINC000050567244 523998801 /nfs/dbraw/zinc/99/88/01/523998801.db2.gz MVYQVJPIWDAMQI-NFAWXSAZSA-N 1 0 270.417 2.037 10 0 CEAERO COC(=O)[C@](C)(N)C[C@@H](C)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000068627131 524002023 /nfs/dbraw/zinc/00/20/23/524002023.db2.gz HGVSVEVWVQMMBZ-HLPPOEQASA-N 1 0 282.428 2.168 10 0 CEAERO COC(=O)[C@](C)([NH3+])C[C@@H](C)n1ccnc1-c1ccccc1 ZINC000068649045 524002340 /nfs/dbraw/zinc/00/23/40/524002340.db2.gz HJTJFRPLMGOKNG-MLGOLLRUSA-N 1 0 287.363 2.392 10 0 CEAERO COC(=O)[C@](C[N@H+]1C[C@H](C)C[C@H](C)C1)(NC1CC1)C1CC1 ZINC000069091730 524004353 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524099737 /nfs/dbraw/zinc/09/97/37/524099737.db2.gz FQPJJIZDEZEQCA-NSHDSACASA-N 1 0 294.395 2.097 10 0 CEAERO COc1ccc(COCc2cccnc2C(N)=[NH2+])cc1 ZINC000061658690 524116612 /nfs/dbraw/zinc/11/66/12/524116612.db2.gz TYALECDXGZBXEM-UHFFFAOYSA-N 1 0 271.320 2.091 10 0 CEAERO Cc1cccc(-c2nnc(CN3[C@H](C)C[NH2+]C[C@H]3C)o2)c1 ZINC000069134222 524124312 /nfs/dbraw/zinc/12/43/12/524124312.db2.gz DHAGCDOEKHWYNT-CHWSQXEVSA-N 1 0 286.379 2.227 10 0 CEAERO C[C@H](CC[NH+](C)C)N[C@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000049553682 524167221 /nfs/dbraw/zinc/16/72/21/524167221.db2.gz UKKJRTPWPIPLEA-VXGBXAGGSA-N 1 0 291.395 2.008 10 0 CEAERO C[C@H]1CCC[C@@](C[NH3+])(NC(=O)CC[C@@H]2CCCCO2)C1 ZINC000069405692 524171278 /nfs/dbraw/zinc/17/12/78/524171278.db2.gz UZIWMNOHIOWDAP-OFQRWUPVSA-N 1 0 282.428 2.360 10 0 CEAERO C[C@H](CCNC(=O)C[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000061910949 524181136 /nfs/dbraw/zinc/18/11/36/524181136.db2.gz KREVPWMRHAKKET-HIFRSBDPSA-N 1 0 260.381 2.439 10 0 CEAERO C[C@H](CC[NH2+]C1CC1)n1nnc(-c2ccccc2)n1 ZINC000052574719 524192896 /nfs/dbraw/zinc/19/28/96/524192896.db2.gz CAQGBXLRUAIYGG-LLVKDONJSA-N 1 0 257.341 2.043 10 0 CEAERO C[C@H](CC[NH2+]C1CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000052418232 524193996 /nfs/dbraw/zinc/19/39/96/524193996.db2.gz YFRKTTNVWYACEJ-CQSZACIVSA-N 1 0 291.414 2.478 10 0 CEAERO C[C@H]1CCC[C@H](C[NH3+])N1c1nncc2ccccc21 ZINC000070157662 524194457 /nfs/dbraw/zinc/19/44/57/524194457.db2.gz ZNSKSBULWLOSIQ-WCQYABFASA-N 1 0 256.353 2.336 10 0 CEAERO C[C@H]1CCC[C@H](C[NH3+])N1C(=O)c1cccc(F)c1 ZINC000070151996 524194569 /nfs/dbraw/zinc/19/45/69/524194569.db2.gz DZUUOCDYXGIZKM-GXFFZTMASA-N 1 0 250.317 2.168 10 0 CEAERO COc1ccc(Cl)cc1C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000062672111 524194766 /nfs/dbraw/zinc/19/47/66/524194766.db2.gz JRVJUFUTEGGXSI-UWVGGRQHSA-N 1 0 282.771 2.171 10 0 CEAERO Cc1cc(C)c(C(=O)N2[C@H](C)C[NH2+]C[C@@H]2C)c(C)c1 ZINC000069133032 524229913 /nfs/dbraw/zinc/22/99/13/524229913.db2.gz QJIXGEHFDMZQEP-OKILXGFUSA-N 1 0 260.381 2.434 10 0 CEAERO C[C@@H]1CCC[C@@H](C(=O)N(C)c2cccc(F)c2)[NH2+]1 ZINC000050009599 524265250 /nfs/dbraw/zinc/26/52/50/524265250.db2.gz GDEWBUBWPVMAGW-MFKMUULPSA-N 1 0 250.317 2.319 10 0 CEAERO C[C@@H]1CCC[C@@H](C[NH3+])N1C(=O)Cc1cccs1 ZINC000070151591 524286339 /nfs/dbraw/zinc/28/63/39/524286339.db2.gz HPDAABPMRWAXJR-MNOVXSKESA-N 1 0 252.383 2.019 10 0 CEAERO Cc1cccc(C)c1NC(=O)c1ccc(NN)[nH+]c1 ZINC000051112594 524297346 /nfs/dbraw/zinc/29/73/46/524297346.db2.gz IYWURGKMCFOENC-UHFFFAOYSA-N 1 0 256.309 2.236 10 0 CEAERO C[C@H](C[NH3+])C(=O)Nc1ccc(Cl)c2ncccc12 ZINC000054339855 524304993 /nfs/dbraw/zinc/30/49/93/524304993.db2.gz XBPWRTOEEPWKRM-MRVPVSSYSA-N 1 0 263.728 2.422 10 0 CEAERO C[C@H](C[NH+]1CCCC1)NC(=O)c1cc(N)ccc1Cl ZINC000049149110 524314367 /nfs/dbraw/zinc/31/43/67/524314367.db2.gz FGGAFNQACGRCTF-SNVBAGLBSA-N 1 0 281.787 2.136 10 0 CEAERO C[C@@H]1CCC[C@@](CO)([NH2+][C@@H]2CCCCC[C@@H]2O)C1 ZINC000053125413 524341202 /nfs/dbraw/zinc/34/12/02/524341202.db2.gz DPPWVXYBZUIDSM-APIJFGDWSA-N 1 0 255.402 2.211 10 0 CEAERO Cc1cccc(CCC(=O)N2CC[C@H](C)[C@H]([NH3+])C2)c1 ZINC000070146179 524346125 /nfs/dbraw/zinc/34/61/25/524346125.db2.gz HIWCSPALRXYOGD-DZGCQCFKSA-N 1 0 260.381 2.123 10 0 CEAERO C[C@H]1CC[C@@H](C[NH3+])CN1c1ccc(C(N)=O)c(Cl)c1 ZINC000070183055 524351794 /nfs/dbraw/zinc/35/17/94/524351794.db2.gz IHFVOLXEWSURET-UWVGGRQHSA-N 1 0 281.787 2.003 10 0 CEAERO C[C@H](CN1CCOCC1)NC1=[NH+]C2(CS1)CCCCC2 ZINC000053098090 524356672 /nfs/dbraw/zinc/35/66/72/524356672.db2.gz FINVZZQJKWVAGZ-CYBMUJFWSA-N 1 0 297.468 2.102 10 0 CEAERO Cc1cccc(CCNC(=O)[C@@H]2[NH2+]CCC[C@H]2C)c1 ZINC000051813317 524358982 /nfs/dbraw/zinc/35/89/82/524358982.db2.gz PWAUOTPQJFHLBF-UKRRQHHQSA-N 1 0 260.381 2.042 10 0 CEAERO C[C@H]1CC[C@H](C)[C@H]([NH2+]Cc2cccc(S(N)(=O)=O)c2)C1 ZINC000068624689 524400240 /nfs/dbraw/zinc/40/02/40/524400240.db2.gz WJOZTILPFQOEDF-SLEUVZQESA-N 1 0 296.436 2.248 10 0 CEAERO C[C@H]1CC[C@H](C[NH3+])CN1C(=O)c1ccccc1OC(F)F ZINC000070179729 524405803 /nfs/dbraw/zinc/40/58/03/524405803.db2.gz NIOUTGZXBWRCPO-WDEREUQCSA-N 1 0 298.333 2.487 10 0 CEAERO Cc1ccc(C[NH3+])cc1NC(=O)c1ccc2c(c1)OCO2 ZINC000050430708 524425160 /nfs/dbraw/zinc/42/51/60/524425160.db2.gz DLWAKDOQXMMZOR-UHFFFAOYSA-N 1 0 284.315 2.435 10 0 CEAERO C[C@H](C[NH2+]C(C)(C)C)CN1CCO[C@H]2CCC[C@@H]21 ZINC000052540150 524475901 /nfs/dbraw/zinc/47/59/01/524475901.db2.gz RDQVWCGGZWRMKE-RDBSUJKOSA-N 1 0 254.418 2.264 10 0 CEAERO C[C@@H](CC[NH+](C)C)Nc1ccccc1C(N)=S ZINC000049560157 524478158 /nfs/dbraw/zinc/47/81/58/524478158.db2.gz LDCWDHUFOYCOSW-JTQLQIEISA-N 1 0 251.399 2.073 10 0 CEAERO COc1ccc(NC(=O)C[C@@H]2CCCC[NH2+]2)cc1C ZINC000049532368 524520146 /nfs/dbraw/zinc/52/01/46/524520146.db2.gz UBAQJWAPOTWVLG-LBPRGKRZSA-N 1 0 262.353 2.474 10 0 CEAERO Cc1cc(C)n(CC[NH2+][C@H]2CCCC[C@@H]2C)c(=O)n1 ZINC000053500037 524528190 /nfs/dbraw/zinc/52/81/90/524528190.db2.gz VGPKKLAIJGHHLV-FZMZJTMJSA-N 1 0 263.385 2.028 10 0 CEAERO Cc1cc(C)n(CC[NH2+][C@H]2CCC[C@@H](C)C2)c(=O)n1 ZINC000053500077 524529387 /nfs/dbraw/zinc/52/93/87/524529387.db2.gz GZEQVRMNOZOBPL-RISCZKNCSA-N 1 0 263.385 2.028 10 0 CEAERO COc1ccc(NC(=O)N2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000051359093 524545371 /nfs/dbraw/zinc/54/53/71/524545371.db2.gz QLZGFDSFJFWRJQ-GJZGRUSLSA-N 1 0 289.379 2.444 10 0 CEAERO Cc1cccc(N2CCN(Cc3ccoc3C[NH3+])CC2)c1 ZINC000052418938 524559077 /nfs/dbraw/zinc/55/90/77/524559077.db2.gz INTRZKHWMDTVLF-UHFFFAOYSA-N 1 0 285.391 2.369 10 0 CEAERO C[C@@H]1CC[C@@H](C[NH3+])CN1c1cnc2ccccc2n1 ZINC000053704682 524590018 /nfs/dbraw/zinc/59/00/18/524590018.db2.gz BICSSHDZWWCWAD-NEPJUHHUSA-N 1 0 256.353 2.193 10 0 CEAERO C[C@@H](C[NH+]1CCCC1)N[C@@H](c1ccco1)c1nccn1C ZINC000049150901 524595258 /nfs/dbraw/zinc/59/52/58/524595258.db2.gz DEDBYCSVBNGOMI-ZFWWWQNUSA-N 1 0 288.395 2.176 10 0 CEAERO C[C@H](C[C@@](C)([NH2+]C1CC1)C(=O)[O-])[N@H+](CC1CC1)C1CC1 ZINC000068648300 524630567 /nfs/dbraw/zinc/63/05/67/524630567.db2.gz ATDIXFBMTICUTL-BDJLRTHQSA-N 1 0 280.412 2.235 10 0 CEAERO C[C@H](C[C@](C)([NH2+]C1CC1)C(N)=O)Oc1ccc(F)cc1F ZINC000068654787 524655994 /nfs/dbraw/zinc/65/59/94/524655994.db2.gz BSJYHGITVANYAG-PSLIRLAXSA-N 1 0 298.333 2.118 10 0 CEAERO C[C@@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)NCC1CCCCC1 ZINC000055127179 524685366 /nfs/dbraw/zinc/68/53/66/524685366.db2.gz VHNNJIMXVHOOTQ-XBFCOCLRSA-N 1 0 252.402 2.446 10 0 CEAERO C[C@H](Cc1ccc(F)cc1)[NH2+]C1CCS(=O)CC1 ZINC000062050580 524694546 /nfs/dbraw/zinc/69/45/46/524694546.db2.gz RKKIMVMCQYJNLY-NWCKJHLDSA-N 1 0 269.385 2.257 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C)N1CCOc1ccc(Cl)cc1 ZINC000069134710 524698906 /nfs/dbraw/zinc/69/89/06/524698906.db2.gz KLXRNQAJQUOEQC-RYUDHWBXSA-N 1 0 268.788 2.401 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C)N1C(=O)c1cccc2cccnc21 ZINC000069133467 524699640 /nfs/dbraw/zinc/69/96/40/524699640.db2.gz FEKAETHQYHERHX-RYUDHWBXSA-N 1 0 269.348 2.057 10 0 CEAERO COc1ccccc1S(=O)(=O)Cc1cccc(C[NH3+])c1 ZINC000068609397 524699596 /nfs/dbraw/zinc/69/95/96/524699596.db2.gz OIIYEJDYCQRMHT-UHFFFAOYSA-N 1 0 291.372 2.128 10 0 CEAERO COc1ccccc1S(=O)(=O)[C@H]1CCCCC[C@H]1C[NH3+] ZINC000068609420 524705739 /nfs/dbraw/zinc/70/57/39/524705739.db2.gz CEAUXNRLCBVCRN-JSGCOSHPSA-N 1 0 297.420 2.377 10 0 CEAERO C[C@@H](CNC(=O)c1ccc2c[nH]nc2c1)[NH+]1CCCCC1 ZINC000061670463 524721531 /nfs/dbraw/zinc/72/15/31/524721531.db2.gz JOAPMPSVPHVLEG-LBPRGKRZSA-N 1 0 286.379 2.167 10 0 CEAERO C[C@H]1COCCN1Cc1ccoc1C[NH2+]C(C)(C)C ZINC000052476116 524724458 /nfs/dbraw/zinc/72/44/58/524724458.db2.gz UBGBTOBZAVLNOW-LBPRGKRZSA-N 1 0 266.385 2.388 10 0 CEAERO Cc1cccc(O[C@H](C)C[C@@](C)([NH2+]C(C)C)C(N)=O)c1 ZINC000068656274 524783272 /nfs/dbraw/zinc/78/32/72/524783272.db2.gz KEMNMKAZSNHBRD-CZUORRHYSA-N 1 0 278.396 2.394 10 0 CEAERO C[C@H]([NH3+])Cc1noc(-c2c(F)c(F)c(F)c(F)c2F)n1 ZINC000054161529 524835486 /nfs/dbraw/zinc/83/54/86/524835486.db2.gz XBHNPCFVBFWFPO-VKHMYHEASA-N 1 0 293.195 2.322 10 0 CEAERO Cc1ccc(F)cc1C(=O)NC[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000062665135 524845753 /nfs/dbraw/zinc/84/57/53/524845753.db2.gz 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C[C@@H]([NH3+])[C@@](O)(c1ccc(F)c(F)c1F)C(F)(F)F ZINC000062784774 525015045 /nfs/dbraw/zinc/01/50/45/525015045.db2.gz YESHPFDKCCHYAN-ALFREKQPSA-N 1 0 273.176 2.201 10 0 CEAERO C[C@@H]([NH3+])[C@H](OCc1ccccc1F)c1cnn(C)c1 ZINC000069282137 525016035 /nfs/dbraw/zinc/01/60/35/525016035.db2.gz MFTLYLOODMFPCK-YGRLFVJLSA-N 1 0 263.316 2.164 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccncc1)n1ncc2ccccc21 ZINC000050524483 525017807 /nfs/dbraw/zinc/01/78/07/525017807.db2.gz PPFOAELSPFAURV-IAQYHMDHSA-N 1 0 252.321 2.368 10 0 CEAERO C[C@@H]([NH3+])[C@](O)(c1ccc(F)cc1F)C(F)(F)F ZINC000062784608 525024152 /nfs/dbraw/zinc/02/41/52/525024152.db2.gz LQQWFUMLTZZKFW-ANLVUFKYSA-N 1 0 255.186 2.062 10 0 CEAERO C[C@@H]1CN(Cc2csc(C[NH2+]C(C)(C)C)n2)CCO1 ZINC000052382212 525028748 /nfs/dbraw/zinc/02/87/48/525028748.db2.gz MVHLJDDCCMYTJS-LLVKDONJSA-N 1 0 283.441 2.252 10 0 CEAERO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2CCCO)cc1 ZINC000052762130 525054017 /nfs/dbraw/zinc/05/40/17/525054017.db2.gz RXUDOVKFZYSLPV-HNNXBMFYSA-N 1 0 276.380 2.170 10 0 CEAERO COc1ncccc1C[NH2+]Cc1cc(C)n(C)c1C ZINC000052790273 525059091 /nfs/dbraw/zinc/05/90/91/525059091.db2.gz GRALHQDQCFUYMW-UHFFFAOYSA-N 1 0 259.353 2.335 10 0 CEAERO C[C@@H]1CN(c2cc(Cl)ccc2C(N)=[NH2+])[C@H](C)CO1 ZINC000062788808 525062084 /nfs/dbraw/zinc/06/20/84/525062084.db2.gz PNVRLANSUJQJEA-RKDXNWHRSA-N 1 0 267.760 2.238 10 0 CEAERO COc1ncccc1[C@@H]([NH3+])c1cc(F)ccc1F ZINC000061443201 525076294 /nfs/dbraw/zinc/07/62/94/525076294.db2.gz CASPKSNMMPECJL-GFCCVEGCSA-N 1 0 250.248 2.417 10 0 CEAERO COc1ncccc1[C@H]([NH3+])c1ccc(F)cc1F ZINC000061443189 525077395 /nfs/dbraw/zinc/07/73/95/525077395.db2.gz JXLLQKUWQKCJIA-GFCCVEGCSA-N 1 0 250.248 2.417 10 0 CEAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ncc(Cl)n1C ZINC000375791282 525081870 /nfs/dbraw/zinc/08/18/70/525081870.db2.gz LSSAIZUYCQPKML-NEPJUHHUSA-N 1 0 282.819 2.132 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C)N1C(=O)Cc1c(F)cccc1Cl ZINC000069132750 525095868 /nfs/dbraw/zinc/09/58/68/525095868.db2.gz QTTQCFPHALWKJB-NXEZZACHSA-N 1 0 284.762 2.230 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C)N1Cc1ccc(-n2cccn2)cc1 ZINC000069134771 525097854 /nfs/dbraw/zinc/09/78/54/525097854.db2.gz BYRRKCOXLBMMDY-ZIAGYGMSSA-N 1 0 270.380 2.055 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C)N1Cc1nc2ccccc2s1 ZINC000069134264 525098710 /nfs/dbraw/zinc/09/87/10/525098710.db2.gz PLEGFVWVOBUCPK-GHMZBOCLSA-N 1 0 261.394 2.479 10 0 CEAERO CS(=O)(=O)CCC[C@@H]([NH3+])[C@H]1CCCc2ccccc21 ZINC000063157928 525119100 /nfs/dbraw/zinc/11/91/00/525119100.db2.gz XKCOWPPPSUSQEP-LSDHHAIUSA-N 1 0 281.421 2.259 10 0 CEAERO C[C@]([NH3+])(C(=O)NCc1cccs1)c1ccccc1 ZINC000052881425 525145697 /nfs/dbraw/zinc/14/56/97/525145697.db2.gz BPYWOAKHVIKNDR-CQSZACIVSA-N 1 0 260.362 2.238 10 0 CEAERO C[C@](O)(CN1CCC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000062801011 525169103 /nfs/dbraw/zinc/16/91/03/525169103.db2.gz ICHBYFWCFDCWEG-SJORKVTESA-N 1 0 274.408 2.064 10 0 CEAERO C[C@@H]1C[C@@H](C(=O)NCCC2CCCC2)CC[C@@H]1[NH3+] ZINC000055130585 525185151 /nfs/dbraw/zinc/18/51/51/525185151.db2.gz DJWABWKRQBYNHQ-XBFCOCLRSA-N 1 0 252.402 2.446 10 0 CEAERO COc1ccc([C@@H]([NH3+])c2ccc3[nH]c(=O)[nH]c3c2)cc1F ZINC000061668797 525193448 /nfs/dbraw/zinc/19/34/48/525193448.db2.gz WMUBZVFMHPYZPK-CQSZACIVSA-N 1 0 287.294 2.052 10 0 CEAERO Cc1cc(NN)[nH+]c(Cc2ccccc2Br)n1 ZINC000055335953 525284372 /nfs/dbraw/zinc/28/43/72/525284372.db2.gz FJSSAIQFKPJPAQ-UHFFFAOYSA-N 1 0 293.168 2.424 10 0 CEAERO Cc1ccc(NS(=O)(=O)CC2CC[NH2+]CC2)cc1C ZINC000049641552 525292997 /nfs/dbraw/zinc/29/29/97/525292997.db2.gz OFHVICGRWZRJBL-UHFFFAOYSA-N 1 0 282.409 2.045 10 0 CEAERO C[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C)CC[C@@H]1[NH3+] ZINC000055123486 525362760 /nfs/dbraw/zinc/36/27/60/525362760.db2.gz XBJITYZDGHOAES-MQLXINIDSA-N 1 0 252.402 2.445 10 0 CEAERO COc1ccc([C@H]([NH3+])C[C@@H](C)CC(N)=O)cc1Cl ZINC000061830182 525363905 /nfs/dbraw/zinc/36/39/05/525363905.db2.gz NLVPSBSVGKHIPH-LDYMZIIASA-N 1 0 270.760 2.250 10 0 CEAERO Cc1ccccc1[C@@H]([NH3+])CN1C(=O)CC(C)(C)CC1=O ZINC000061828173 525367189 /nfs/dbraw/zinc/36/71/89/525367189.db2.gz ITQALLQWAIFUTQ-ZDUSSCGKSA-N 1 0 274.364 2.170 10 0 CEAERO COc1ccc([C@H](O)[C@H]([NH3+])CC(C)C)c(OC)c1OC ZINC000054929610 525378743 /nfs/dbraw/zinc/37/87/43/525378743.db2.gz ZBIIVRLUZZRGHM-YPMHNXCESA-N 1 0 283.368 2.119 10 0 CEAERO C[C@H]([NH2+]C[C@@H]1CN(c2ccccc2)C(=O)O1)[C@H]1CCCO1 ZINC000183220739 525397597 /nfs/dbraw/zinc/39/75/97/525397597.db2.gz LDNOWHJOADTSGX-NWANDNLSSA-N 1 0 290.363 2.169 10 0 CEAERO Cc1ccc(OC[C@]([NH3+])(C(N)=O)C2CC2)c(C(C)(C)C)c1 ZINC000069196916 525443866 /nfs/dbraw/zinc/44/38/66/525443866.db2.gz FRAPDKYNQFHOOK-QGZVFWFLSA-N 1 0 290.407 2.264 10 0 CEAERO Cc1nc[nH]c1CNC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000054797022 525463619 /nfs/dbraw/zinc/46/36/19/525463619.db2.gz BUMLDXLKAJCJNE-WFASDCNBSA-N 1 0 264.417 2.318 10 0 CEAERO Cc1c(-c2cccc(Cl)c2)[nH]nc1N1CC[NH2+]CC1 ZINC000062670065 525508967 /nfs/dbraw/zinc/50/89/67/525508967.db2.gz PTSQKYKKWORUOU-UHFFFAOYSA-N 1 0 276.771 2.448 10 0 CEAERO Cc1cccnc1[C@H]([NH3+])c1ccc2c(c1)OCCO2 ZINC000055227113 525551298 /nfs/dbraw/zinc/55/12/98/525551298.db2.gz UXEIZNATLFXVEH-CQSZACIVSA-N 1 0 256.305 2.209 10 0 CEAERO Cc1ccn(-c2ccc(Cl)c(C[NH2+]C3CC3)n2)n1 ZINC000052885096 525558607 /nfs/dbraw/zinc/55/86/07/525558607.db2.gz IPVDJIWHRUERFW-UHFFFAOYSA-N 1 0 262.744 2.481 10 0 CEAERO COc1ccc2cc([C@H]([NH3+])[C@@H]3COCCO3)ccc2c1 ZINC000055301236 525641269 /nfs/dbraw/zinc/64/12/69/525641269.db2.gz XKFUZFYEKVQIGX-HOTGVXAUSA-N 1 0 273.332 2.264 10 0 CEAERO C[C@@H]1[C@@H](C)CCCN1S(=O)(=O)Cc1ccccc1C[NH3+] ZINC000050564991 525641806 /nfs/dbraw/zinc/64/18/06/525641806.db2.gz XEAFWSYWBSEUFG-QWHCGFSZSA-N 1 0 296.436 2.096 10 0 CEAERO CSC[C@H](C)C[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000069447414 525680703 /nfs/dbraw/zinc/68/07/03/525680703.db2.gz ILTIARBKZWVZPZ-TZMCWYRMSA-N 1 0 253.411 2.483 10 0 CEAERO C[C@H](O)CCCCN1CC[NH+](C2CCCC2)CC1 ZINC000052063096 525708633 /nfs/dbraw/zinc/70/86/33/525708633.db2.gz QJOKPJKYAJFJDB-AWEZNQCLSA-N 1 0 254.418 2.098 10 0 CEAERO COc1cccc(-c2nccc(C[NH2+]C3CC3)n2)c1 ZINC000054791982 525729973 /nfs/dbraw/zinc/72/99/73/525729973.db2.gz PSELUPDRWSMOCS-UHFFFAOYSA-N 1 0 255.321 2.404 10 0 CEAERO C[C@@]1(C2CC2)CN(CCc2ccsc2)CC[NH2+]1 ZINC000068694081 525822774 /nfs/dbraw/zinc/82/27/74/525822774.db2.gz VNRPJXANSADPQA-AWEZNQCLSA-N 1 0 250.411 2.365 10 0 CEAERO C[C@H](O)c1ccc(NC(=O)N2CCC[C@H]2C[NH+](C)C)cc1 ZINC000061655762 525856634 /nfs/dbraw/zinc/85/66/34/525856634.db2.gz RJYMUFMWIZPTJF-WFASDCNBSA-N 1 0 291.395 2.298 10 0 CEAERO C[C@H](O)c1cnc(N2CC[NH+](C(C)(C)C)CC2)s1 ZINC000054928195 525876619 /nfs/dbraw/zinc/87/66/19/525876619.db2.gz UEPPHUWYXUYAFK-JTQLQIEISA-N 1 0 269.414 2.117 10 0 CEAERO C[C@@]1(c2ccc(C(F)(F)F)cc2)C[C@]1(C[NH3+])CO ZINC000062670168 525887398 /nfs/dbraw/zinc/88/73/98/525887398.db2.gz WXZRXKJHTOQYQA-RYUDHWBXSA-N 1 0 259.271 2.304 10 0 CEAERO C[C@@H](Oc1ccc(Cl)cc1[C@H](C)[NH3+])C(=O)N(C)C ZINC000050209144 525924799 /nfs/dbraw/zinc/92/47/99/525924799.db2.gz QKODOIMWDGHSDF-DTWKUNHWSA-N 1 0 270.760 2.215 10 0 CEAERO Cc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(C(C)C)C2=O)s1 ZINC000049163210 525945012 /nfs/dbraw/zinc/94/50/12/525945012.db2.gz UWEJBRPAGIWSOK-QWRGUYRKSA-N 1 0 280.393 2.243 10 0 CEAERO COc1cccc(CN2CC[NH2+]CC23CCCCC3)n1 ZINC000068696367 525949145 /nfs/dbraw/zinc/94/91/45/525949145.db2.gz ZJMHYGFREVFECJ-UHFFFAOYSA-N 1 0 275.396 2.198 10 0 CEAERO C[C@H](Oc1cccc2c1CC[C@@H]2[NH3+])C(=O)NC(C)(C)C ZINC000062798658 525951927 /nfs/dbraw/zinc/95/19/27/525951927.db2.gz HZWOPOFSAIGWMM-GWCFXTLKSA-N 1 0 276.380 2.315 10 0 CEAERO COc1cccc(CNC(=O)CC[C@H]2CCCC[NH2+]2)c1 ZINC000050945356 525968712 /nfs/dbraw/zinc/96/87/12/525968712.db2.gz WITBUWSTLJOZAQ-CQSZACIVSA-N 1 0 276.380 2.234 10 0 CEAERO COc1cccc(COCc2ccc[nH+]c2NN)c1 ZINC000052727901 526054994 /nfs/dbraw/zinc/05/49/94/526054994.db2.gz MCXBMJGUXJJOFE-UHFFFAOYSA-N 1 0 259.309 2.093 10 0 CEAERO C[C@H](c1ccccc1F)N(C)C(=O)c1ccc(NN)[nH+]c1 ZINC000062012937 526116944 /nfs/dbraw/zinc/11/69/44/526116944.db2.gz QNFXUOMGCZPGDG-SNVBAGLBSA-N 1 0 288.326 2.340 10 0 CEAERO Cc1ccc(C(=O)N2C[C@H](CC[NH3+])c3ccccc32)n1C ZINC000063128213 526140147 /nfs/dbraw/zinc/14/01/47/526140147.db2.gz KFUOTYYHOASKGA-ZDUSSCGKSA-N 1 0 283.375 2.426 10 0 CEAERO Cc1cncc([C@H](C)[NH2+][C@H]2CCCN(c3cccnn3)C2)c1 ZINC000184406631 526219243 /nfs/dbraw/zinc/21/92/43/526219243.db2.gz BGQMEUZJSPBDOB-HOCLYGCPSA-N 1 0 297.406 2.500 10 0 CEAERO Cc1ccc(C(C)(C)C)c(OC[C@@]([NH3+])(C(N)=O)C2CC2)c1 ZINC000069195204 526243739 /nfs/dbraw/zinc/24/37/39/526243739.db2.gz GFDKTRWNIFVBFG-KRWDZBQOSA-N 1 0 290.407 2.264 10 0 CEAERO COc1cccc(SCC[C@@H]([NH2+]C(C)C)C(N)=O)c1 ZINC000062598592 526245882 /nfs/dbraw/zinc/24/58/82/526245882.db2.gz QOKLSSJZQQVETJ-CYBMUJFWSA-N 1 0 282.409 2.029 10 0 CEAERO C[C@H]1CCCC[N@@H+]1CCCNc1ccnc(C(N)=S)c1 ZINC000061812039 526249312 /nfs/dbraw/zinc/24/93/12/526249312.db2.gz MZTCZIMEYFQHPH-LBPRGKRZSA-N 1 0 292.452 2.392 10 0 CEAERO Cc1ccc(C(N)=S)c(N2CCC[C@@H]2C[NH+](C)C)c1 ZINC000061651908 526254873 /nfs/dbraw/zinc/25/48/73/526254873.db2.gz VWHCXUGWVXXIPU-GFCCVEGCSA-N 1 0 277.437 2.160 10 0 CEAERO Cc1nn(C[C@H]2CCCCO2)c(C)c1C[NH2+]C1CC1 ZINC000054717440 526286294 /nfs/dbraw/zinc/28/62/94/526286294.db2.gz SIHWSPRDQHGKJT-CQSZACIVSA-N 1 0 263.385 2.321 10 0 CEAERO Cc1nn(Cc2ccn(-c3ccccc3)n2)c(C)c1C[NH3+] ZINC000061641322 526298777 /nfs/dbraw/zinc/29/87/77/526298777.db2.gz BZZOMSMEGDAWDO-UHFFFAOYSA-N 1 0 281.363 2.193 10 0 CEAERO Cc1nn([C@@H](C[NH3+])C(C)C)c(C)c1Br ZINC000052573641 526301690 /nfs/dbraw/zinc/30/16/90/526301690.db2.gz OZNIFECTCWDHSZ-VIFPVBQESA-N 1 0 260.179 2.418 10 0 CEAERO Cc1nn([C@H](C[NH3+])c2ccco2)c(C)c1Br ZINC000050589162 526306620 /nfs/dbraw/zinc/30/66/20/526306620.db2.gz QCFXQKQJVQELAZ-SECBINFHSA-N 1 0 284.157 2.404 10 0 CEAERO O[C@H]1CCN(c2nc3ccccc3cc2C[NH2+]C2CC2)C1 ZINC000061711211 526312224 /nfs/dbraw/zinc/31/22/24/526312224.db2.gz TYURBWLZUPDVEK-HNNXBMFYSA-N 1 0 283.375 2.058 10 0 CEAERO Cc1csc(Sc2ccnc(C(N)=[NH2+])c2)n1 ZINC000061814701 526399156 /nfs/dbraw/zinc/39/91/56/526399156.db2.gz AERCXDSZJWCXES-UHFFFAOYSA-N 1 0 250.352 2.282 10 0 CEAERO O=C(OCc1ccccc1F)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000069280552 526428275 /nfs/dbraw/zinc/42/82/75/526428275.db2.gz LLEKISBLGFJFOD-GFCCVEGCSA-N 1 0 291.244 2.411 10 0 CEAERO c1ccc(C2(c3noc(C[C@@H]4CCC[NH2+]4)n3)CC2)cc1 ZINC000062780252 526462161 /nfs/dbraw/zinc/46/21/61/526462161.db2.gz CGZPCQCQGLXMTR-ZDUSSCGKSA-N 1 0 269.348 2.444 10 0 CEAERO c1ccc(OCc2noc(C[C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000054436204 526487915 /nfs/dbraw/zinc/48/79/15/526487915.db2.gz GHSICAHQLMCAQW-LBPRGKRZSA-N 1 0 273.336 2.191 10 0 CEAERO O=C(CC[C@@H]1CCCC[NH2+]1)N(Cc1cccnc1)C1CC1 ZINC000050946108 526547315 /nfs/dbraw/zinc/54/73/15/526547315.db2.gz OMWHRUDXHGZNMW-HNNXBMFYSA-N 1 0 287.407 2.495 10 0 CEAERO O=C(CC[C@H]1CCCC[NH2+]1)NC[C@@H]1CC=CCC1 ZINC000050951951 526565512 /nfs/dbraw/zinc/56/55/12/526565512.db2.gz XMAFQFHUVQHJBR-ZIAGYGMSSA-N 1 0 250.386 2.381 10 0 CEAERO O=C(CC[C@H]1CCCC[NH2+]1)NC[C@H]1Cc2ccccc2O1 ZINC000050948171 526565649 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/nfs/dbraw/zinc/83/63/21/526836321.db2.gz QEANJGJSGRUBLA-OAHLLOKOSA-N 1 0 289.404 2.284 10 0 CEAERO Cc1sc2ncn(CCC[NH+](C)C)c(=O)c2c1C ZINC000047133866 526898471 /nfs/dbraw/zinc/89/84/71/526898471.db2.gz IHSNAHVTXTWSMI-UHFFFAOYSA-N 1 0 265.382 2.027 10 0 CEAERO Cc1sc2ncnc(NCC[C@H](C)[NH3+])c2c1C ZINC000063171655 526899816 /nfs/dbraw/zinc/89/98/16/526899816.db2.gz HZAZSBMIKKPOBG-ZETCQYMHSA-N 1 0 250.371 2.457 10 0 CEAERO CC(=O)Nc1cc(N[C@H](C)[C@H]2CC[NH2+]C2)ccc1F ZINC000400444312 526927792 /nfs/dbraw/zinc/92/77/92/526927792.db2.gz NFMUTVZEHJICOJ-KOLCDFICSA-N 1 0 265.332 2.194 10 0 CEAERO Cc1nc(Cl)cc(OCC[C@@H]2CCC[N@H+]2C)n1 ZINC000052835306 526935767 /nfs/dbraw/zinc/93/57/67/526935767.db2.gz JWRLSXIKDYEQDH-JTQLQIEISA-N 1 0 255.749 2.302 10 0 CEAERO Cc1nc(N2CCO[C@@H]3CCC[C@@H]32)sc1[C@@H](C)[NH3+] ZINC000054896876 526972257 /nfs/dbraw/zinc/97/22/57/526972257.db2.gz ULGIIRZBUGCERY-DVVUODLYSA-N 1 0 267.398 2.229 10 0 CEAERO Clc1cccc2[nH]c(CN3CCC[NH2+]CC3)nc21 ZINC000061145539 526982591 /nfs/dbraw/zinc/98/25/91/526982591.db2.gz YLDNGLFNBOTJHV-UHFFFAOYSA-N 1 0 264.760 2.012 10 0 CEAERO Clc1cccc2nc(CN3CC[NH2+]CC3)sc21 ZINC000051640119 526984160 /nfs/dbraw/zinc/98/41/60/526984160.db2.gz LXZDCQZRSDQMAH-UHFFFAOYSA-N 1 0 267.785 2.355 10 0 CEAERO NC(=O)[C@@](COC1CCCCCC1)([NH2+]C1CC1)C1CC1 ZINC000069194450 526989948 /nfs/dbraw/zinc/98/99/48/526989948.db2.gz XCPCMLRKNAPPJQ-INIZCTEOSA-N 1 0 280.412 2.112 10 0 CEAERO NC(=O)c1ccc(Cl)cc1OCC[C@@H]1CCCC[NH2+]1 ZINC000062786588 527053384 /nfs/dbraw/zinc/05/33/84/527053384.db2.gz AWSPKXOSJDGRTR-NSHDSACASA-N 1 0 282.771 2.350 10 0 CEAERO O=C1NCCCC[C@H]1[NH2+][C@@H](c1cccs1)C1CC1 ZINC000051100088 527063472 /nfs/dbraw/zinc/06/34/72/527063472.db2.gz YWHLUDSOYRCEPK-DGCLKSJQSA-N 1 0 264.394 2.458 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000054309011 527120218 /nfs/dbraw/zinc/12/02/18/527120218.db2.gz QDKKKWJDIGXQKJ-NWANDNLSSA-N 1 0 258.365 2.048 10 0 CEAERO O=C(Nc1cc(F)cc(F)c1F)[C@@H]1CCC[NH2+]C1 ZINC000061118862 527123237 /nfs/dbraw/zinc/12/32/37/527123237.db2.gz GWFIXYUULYFIEW-SSDOTTSWSA-N 1 0 258.243 2.042 10 0 CEAERO [NH3+]CCCc1nc(-c2ccc(F)c(Cl)c2)n[nH]1 ZINC000062793604 527182928 /nfs/dbraw/zinc/18/29/28/527182928.db2.gz ZCFORROFSZOSHS-UHFFFAOYSA-N 1 0 254.696 2.156 10 0 CEAERO [NH3+]CCCc1nnc(-c2cccc3ncccc32)o1 ZINC000061439268 527183432 /nfs/dbraw/zinc/18/34/32/527183432.db2.gz LDYOBYXUIHNPFO-UHFFFAOYSA-N 1 0 254.293 2.176 10 0 CEAERO [NH3+]CCOc1cccc(Nc2ncnc3c2CCC3)c1 ZINC000062839410 527190332 /nfs/dbraw/zinc/19/03/32/527190332.db2.gz WVYWFBZNQMDWHI-UHFFFAOYSA-N 1 0 270.336 2.046 10 0 CEAERO [NH3+]CCc1ccc(CNC(=O)c2ccccc2)cc1 ZINC000052898790 527196570 /nfs/dbraw/zinc/19/65/70/527196570.db2.gz MNRJAGPBROAUKH-UHFFFAOYSA-N 1 0 254.333 2.118 10 0 CEAERO Cc1nc2sccn2c1CN[C@@H](C)CC[NH+](C)C ZINC000049554053 527212155 /nfs/dbraw/zinc/21/21/55/527212155.db2.gz VFRFXTPPJBSJBL-JTQLQIEISA-N 1 0 266.414 2.134 10 0 CEAERO [NH3+]C[C@H](Cc1ccccc1)NC(=O)CC[C@H]1CCCCO1 ZINC000069405614 527224797 /nfs/dbraw/zinc/22/47/97/527224797.db2.gz LUMQBNBWHFJBBD-JKSUJKDBSA-N 1 0 290.407 2.022 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)CCCc1ccccc1 ZINC000061883534 527235921 /nfs/dbraw/zinc/23/59/21/527235921.db2.gz JUGREZMZOGGRSI-CABCVRRESA-N 1 0 260.381 2.253 10 0 CEAERO [NH3+]Cc1cc(Cl)ccc1N1CCC[C@H](CO)C1 ZINC000052856914 527249245 /nfs/dbraw/zinc/24/92/45/527249245.db2.gz DSWUYFSWGZXIAN-JTQLQIEISA-N 1 0 254.761 2.007 10 0 CEAERO [NH3+]Cc1cc(Sc2nnnn2C2CC2)nc2ccccc12 ZINC000068797050 527250104 /nfs/dbraw/zinc/25/01/04/527250104.db2.gz IEGLHNWLXOSALT-UHFFFAOYSA-N 1 0 298.375 2.166 10 0 CEAERO [NH3+]Cc1cc(NS(=O)(=O)Cc2ccccc2)ccc1F ZINC000051635142 527250723 /nfs/dbraw/zinc/25/07/23/527250723.db2.gz XARPGJYKJZADBS-UHFFFAOYSA-N 1 0 294.351 2.226 10 0 CEAERO [NH3+]Cc1ccc(NC(=O)c2cc[nH]n2)c(C(F)(F)F)c1 ZINC000062775126 527256290 /nfs/dbraw/zinc/25/62/90/527256290.db2.gz YJNVGTIOVHYUKN-UHFFFAOYSA-N 1 0 284.241 2.140 10 0 CEAERO [NH3+]Cc1ccccc1NC(=O)CC[C@H]1CCCCO1 ZINC000069405586 527261141 /nfs/dbraw/zinc/26/11/41/527261141.db2.gz ZDKHLTZEMRVJEL-CYBMUJFWSA-N 1 0 262.353 2.433 10 0 CEAERO [NH3+]Cc1cnn([C@H]2CCCC[C@H]2O)c1-c1ccccc1 ZINC000054600020 527263964 /nfs/dbraw/zinc/26/39/64/527263964.db2.gz SBTUPMCGHIIBMH-LSDHHAIUSA-N 1 0 271.364 2.485 10 0 CEAERO O=S1(=O)CC[C@H]([C@@H](C[NH2+]C2CC2)Cc2ccccc2)C1 ZINC000052951561 527312793 /nfs/dbraw/zinc/31/27/93/527312793.db2.gz FOZYWGRAXWCAAN-LSDHHAIUSA-N 1 0 293.432 2.032 10 0 CEAERO Cc1nccc(N(CCC[NH3+])c2ccccc2F)n1 ZINC000054935390 527343842 /nfs/dbraw/zinc/34/38/42/527343842.db2.gz JZWCIHKGDJPETD-UHFFFAOYSA-N 1 0 260.316 2.411 10 0 CEAERO Cc1nccc(N2CCC(C[NH2+]C(C)(C)C)CC2)n1 ZINC000054937544 527344826 /nfs/dbraw/zinc/34/48/26/527344826.db2.gz GKBKFCBWPIIMCK-UHFFFAOYSA-N 1 0 262.401 2.390 10 0 CEAERO [NH3+][C@@H]1CCCN(c2cc(F)ccc2OC2CCOCC2)C1 ZINC000069310977 527348935 /nfs/dbraw/zinc/34/89/35/527348935.db2.gz CXGYBJMHGCVTFM-CYBMUJFWSA-N 1 0 294.370 2.311 10 0 CEAERO [NH3+][C@H]1CCCc2cc(OC[C@@H](O)C(F)(F)F)ccc21 ZINC000068877252 527409749 /nfs/dbraw/zinc/40/97/49/527409749.db2.gz ASWNOZIVKUBAEE-NWDGAFQWSA-N 1 0 275.270 2.325 10 0 CEAERO O=c1ccc(Br)cn1CCC[C@@H]1CCC[NH2+]1 ZINC000052764904 527485419 /nfs/dbraw/zinc/48/54/19/527485419.db2.gz OARISCGLNQOCJF-NSHDSACASA-N 1 0 285.185 2.143 10 0 CEAERO Cc1ncsc1CC[N@@H+]1CCC[C@H]1CCCO ZINC000052762437 527486162 /nfs/dbraw/zinc/48/61/62/527486162.db2.gz QOLQPHWEEDBZAT-LBPRGKRZSA-N 1 0 254.399 2.231 10 0 CEAERO O=c1cnc2ccccc2n1CC[NH2+]C1CCCCC1 ZINC000053523851 527493192 /nfs/dbraw/zinc/49/31/92/527493192.db2.gz WFKUDSJJRLBNAW-UHFFFAOYSA-N 1 0 271.364 2.319 10 0 CEAERO OCCC[C@H]1CCC[N@@H+]1Cc1cccnc1Cl ZINC000052759549 527546690 /nfs/dbraw/zinc/54/66/90/527546690.db2.gz OKIWEZLXXQBSCL-GFCCVEGCSA-N 1 0 254.761 2.472 10 0 CEAERO OCCn1cc(C[NH2+][C@@H]2CCSc3ccccc32)cn1 ZINC000068691133 527575972 /nfs/dbraw/zinc/57/59/72/527575972.db2.gz UXESABGXDKPKMR-CQSZACIVSA-N 1 0 289.404 2.202 10 0 CEAERO OC[C@@H]([NH2+]C[C@H]1CCCO1)c1ccc2ncccc2c1 ZINC000069504748 527581372 /nfs/dbraw/zinc/58/13/72/527581372.db2.gz JOFXRCZPDMSJSX-GDBMZVCRSA-N 1 0 272.348 2.037 10 0 CEAERO OC[C@@H](c1csc2ccccc12)N1CCC[NH2+]CC1 ZINC000054465846 527585673 /nfs/dbraw/zinc/58/56/73/527585673.db2.gz UPLHJVCANSSZHV-AWEZNQCLSA-N 1 0 276.405 2.230 10 0 CEAERO Cc1nn(C)c(C)c1-c1csc([C@@H](C)C[NH3+])n1 ZINC000054158419 527600866 /nfs/dbraw/zinc/60/08/66/527600866.db2.gz BVYBXHFEDWDUJK-ZETCQYMHSA-N 1 0 250.371 2.223 10 0 CEAERO Cn1nccc1[C@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000069467181 527628625 /nfs/dbraw/zinc/62/86/25/527628625.db2.gz NHMPOWVVURYNNE-LLVKDONJSA-N 1 0 255.243 2.487 10 0 CEAERO OCc1ccc(C[NH+]2CCC(Cn3cccn3)CC2)cc1 ZINC000182757321 527632167 /nfs/dbraw/zinc/63/21/67/527632167.db2.gz OMAVHKCVEKPHMU-UHFFFAOYSA-N 1 0 285.391 2.288 10 0 CEAERO OCc1ccccc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000062032442 527638080 /nfs/dbraw/zinc/63/80/80/527638080.db2.gz BTLHMYSHPUDLCT-UHFFFAOYSA-N 1 0 274.408 2.491 10 0 CEAERO FC(F)(F)COCCCOCC[C@@H]1CCC[NH2+]C1 ZINC000051918213 527669785 /nfs/dbraw/zinc/66/97/85/527669785.db2.gz XPRHATLMPUPGMS-NSHDSACASA-N 1 0 269.307 2.362 10 0 CEAERO FC(F)(F)COCCN1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000068693546 527669956 /nfs/dbraw/zinc/66/99/56/527669956.db2.gz SAIODUNJUHNEKQ-CYBMUJFWSA-N 1 0 288.313 2.212 10 0 CEAERO Cc1nn(C)c(N(C)C2CC2)c1C[NH2+]C(C)(C)C ZINC000062735113 527670381 /nfs/dbraw/zinc/67/03/81/527670381.db2.gz GLIHBCGRZQHGCK-UHFFFAOYSA-N 1 0 250.390 2.215 10 0 CEAERO Cc1nn(C)c(N2CCCO[C@@H](C)C2)c1C[NH2+]CC(C)C ZINC000062738344 527676088 /nfs/dbraw/zinc/67/60/88/527676088.db2.gz FDDTTWPIUSPDPQ-ZDUSSCGKSA-N 1 0 294.443 2.089 10 0 CEAERO Cc1nn(C)c(N2CCOCC2(C)C)c1C[NH2+]C(C)(C)C ZINC000062737004 527676409 /nfs/dbraw/zinc/67/64/09/527676409.db2.gz SPYJPPATPUITDO-UHFFFAOYSA-N 1 0 294.443 2.232 10 0 CEAERO CCCN(CCC)C(=O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000175045700 528043785 /nfs/dbraw/zinc/04/37/85/528043785.db2.gz CBVIYTHDKCMCDA-HOTGVXAUSA-N 1 0 295.471 2.194 10 0 CEAERO CCOC(=O)c1ccc(N(C)C[C@@H]2CCC[N@@H+]2CC)nc1 ZINC000175167910 528225882 /nfs/dbraw/zinc/22/58/82/528225882.db2.gz IRYRLLJUDXTICS-AWEZNQCLSA-N 1 0 291.395 2.179 10 0 CEAERO CCN(CC)c1ccc(N[C@H](C)[C@@H]2CC[NH2+]C2)cn1 ZINC000400332060 528312680 /nfs/dbraw/zinc/31/26/80/528312680.db2.gz FCNBOKSSNCDYFJ-CHWSQXEVSA-N 1 0 262.401 2.338 10 0 CEAERO CCCCOC[C@@H](O)C[NH2+]C(C)(C)c1ncc(C)s1 ZINC000195217262 528619517 /nfs/dbraw/zinc/61/95/17/528619517.db2.gz OAWVOXFSLSLVGT-LBPRGKRZSA-N 1 0 286.441 2.454 10 0 CEAERO CCCc1ccc(S(=O)(=O)N[C@@](C)(C[NH3+])C2CC2)cc1 ZINC000133760971 528627718 /nfs/dbraw/zinc/62/77/18/528627718.db2.gz ODVFPECMCKXPMB-HNNXBMFYSA-N 1 0 296.436 2.045 10 0 CEAERO CCOCC[N@@H+]1CCN(C(=O)C[C@H]2C=CCC2)C[C@@H]1CC ZINC000116768823 528737273 /nfs/dbraw/zinc/73/72/73/528737273.db2.gz NJTKPCNWXWVLTB-HOTGVXAUSA-N 1 0 294.439 2.302 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2Cc3ccccc3C2)C1 ZINC000106334479 529052712 /nfs/dbraw/zinc/05/27/12/529052712.db2.gz OHQFZBIPMIPQPK-OAHLLOKOSA-N 1 0 273.380 2.196 10 0 CEAERO 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UABDMOCLWUBAQQ-AAEUAGOBSA-N 1 0 262.328 2.090 10 0 CEAERO C[NH2+][C@@H]1Cc2c[nH]c3cccc(c23)[C@@H]1/C=C(\C)CO ZINC000012153578 560211501 /nfs/dbraw/zinc/21/15/01/560211501.db2.gz SAHHMCVYMGARBT-GJTNBUKJSA-N 1 0 256.349 2.334 10 0 in-vitro CEAERO C[C@@H]([NH3+])CC(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000261780593 574487516 /nfs/dbraw/zinc/48/75/16/574487516.db2.gz JOOKEQMRQUEVNZ-HTQZYQBOSA-N 1 0 258.724 2.394 10 0 CEAERO C[C@@H](O)[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc(C[NH3+])nc1 ZINC000757136010 574510125 /nfs/dbraw/zinc/51/01/25/574510125.db2.gz XYBHCVUAVYFMHS-GHMZBOCLSA-N 1 0 295.383 2.051 10 0 CEAERO FC(F)(F)[C@@H]1CCC[C@@]2(C1)[NH2+]CC1(COC1)CO2 ZINC000757145922 574510385 /nfs/dbraw/zinc/51/03/85/574510385.db2.gz QSFQFOKJMIQIKN-MWLCHTKSSA-N 1 0 265.275 2.072 10 0 CEAERO CCC1(C)CCN(S(=O)(=O)C[C@H]([NH3+])C(C)(C)C)CC1 ZINC000757151992 574510862 /nfs/dbraw/zinc/51/08/62/574510862.db2.gz QLLXHVVBHWQDCX-LBPRGKRZSA-N 1 0 290.473 2.202 10 0 CEAERO COC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(C)c(Cl)c1 ZINC000757185010 574511612 /nfs/dbraw/zinc/51/16/12/574511612.db2.gz PBAXKPRLDTUYPN-QWRGUYRKSA-N 1 0 253.729 2.124 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@H](C[NH3+])C[C@H]1[C@H]1CCCO1 ZINC000725268809 567924451 /nfs/dbraw/zinc/92/44/51/567924451.db2.gz BQWPNCKIFCTHKP-RWMBFGLXSA-N 1 0 284.400 2.140 10 0 CEAERO FC(F)(F)c1ccc(NCC[NH2+]Cc2cc[nH]n2)nc1 ZINC000095415542 625473410 /nfs/dbraw/zinc/47/34/10/625473410.db2.gz JWKYKVUKWIXIBP-UHFFFAOYSA-N 1 0 285.273 2.025 10 0 CEAERO COC(=O)c1ccccc1N(C)CC[NH+]1CCCCC1 ZINC000049856598 623168541 /nfs/dbraw/zinc/16/85/41/623168541.db2.gz IEVSFRCLSDKHQV-UHFFFAOYSA-N 1 0 276.380 2.395 10 0 CEAERO O[C@H](C[NH2+][C@H]1COc2ccccc21)CC(F)(F)F ZINC000307951756 623469137 /nfs/dbraw/zinc/46/91/37/623469137.db2.gz VDVHLSSVLAALRI-WPRPVWTQSA-N 1 0 261.243 2.023 10 0 CEAERO CC/C=C(\C)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000255266288 623485567 /nfs/dbraw/zinc/48/55/67/623485567.db2.gz SNHRXWNEAKLANE-DUYRLRNSSA-N 1 0 250.386 2.428 10 0 CEAERO C[C@H]1C[NH+](C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC000891400457 623594871 /nfs/dbraw/zinc/59/48/71/623594871.db2.gz AIGPWGMBOYJGIX-XDQVBPFNSA-N 1 0 298.427 2.399 10 0 CEAERO Cc1ccnc(N2C[C@H](C[NH3+])C[C@@H]2C)c1Br ZINC000235670753 625704742 /nfs/dbraw/zinc/70/47/42/625704742.db2.gz HQACTOKQJJDKCA-UWVGGRQHSA-N 1 0 284.201 2.326 10 0 CEAERO C[C@H]1CN(Cc2cc(Br)ccc2F)C[C@@H]1[NH3+] ZINC000235680349 625707730 /nfs/dbraw/zinc/70/77/30/625707730.db2.gz AZNZXMMSXKFPOP-UFBFGSQYSA-N 1 0 287.176 2.367 10 0 CEAERO Cc1cc2c(ncnc2N2CCC[C@H](C[NH3+])C2)s1 ZINC000104411849 624326400 /nfs/dbraw/zinc/32/64/00/624326400.db2.gz MFLCQCJBRKQPJQ-SNVBAGLBSA-N 1 0 262.382 2.175 10 0 CEAERO C[C@H](O)[C@H](C)[NH2+]Cc1cc(O)ccc1Br ZINC000309065722 624490275 /nfs/dbraw/zinc/49/02/75/624490275.db2.gz ZESCMUJDXCGISB-YUMQZZPRSA-N 1 0 274.158 2.014 10 0 CEAERO COC(=O)c1cc(Cl)cc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000178569244 624498861 /nfs/dbraw/zinc/49/88/61/624498861.db2.gz ZCINYGBICOBMKA-KCJUWKMLSA-N 1 0 296.754 2.193 10 0 CEAERO C[C@@H](CC[NH2+]C[C@H]1CC(=O)N(C)C1)c1ccccc1 ZINC000668616269 624519628 /nfs/dbraw/zinc/51/96/28/624519628.db2.gz LDDJUMBHOCJBPB-UONOGXRCSA-N 1 0 260.381 2.248 10 0 CEAERO CSc1ccc(Cl)c(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000235095355 624596212 /nfs/dbraw/zinc/59/62/12/624596212.db2.gz MGUDHHKTXFDMJQ-PRHODGIISA-N 1 0 284.812 2.481 10 0 CEAERO CCOC1CC([NH2+][C@H]2CCO[C@@H]2c2cnn(C(C)C)c2)C1 ZINC000888076909 624701930 /nfs/dbraw/zinc/70/19/30/624701930.db2.gz XOBQMXSRGKZLNK-SSHXOBKSSA-N 1 0 293.411 2.451 10 0 CEAERO COc1ccc(F)cc1C[NH2+][C@H]1CCO[C@@H]1c1cc[nH]n1 ZINC000888077183 624702006 /nfs/dbraw/zinc/70/20/06/624702006.db2.gz RBQZWNHJTLRGIK-WFASDCNBSA-N 1 0 291.326 2.177 10 0 CEAERO CCc1occc1-c1nnc([C@H]2CN(C)C[C@@H](C)O2)o1 ZINC000888078971 624707772 /nfs/dbraw/zinc/70/77/72/624707772.db2.gz PIJUQDFOXSXEMY-BXKDBHETSA-N 1 0 277.324 2.284 10 0 CEAERO CC[N@@H+]1CCC[C@H](NS(=O)(=O)/C=C/c2ccccc2)C1 ZINC000048841614 624783428 /nfs/dbraw/zinc/78/34/28/624783428.db2.gz ZSYJKQJPNNQDNG-PABFRNLHSA-N 1 0 294.420 2.061 10 0 CEAERO CN(Cc1csc(Cl)n1)[C@@H]1CCC[NH2+]CC1 ZINC000309459461 624835817 /nfs/dbraw/zinc/83/58/17/624835817.db2.gz UBCVJKWXWRRECS-SNVBAGLBSA-N 1 0 259.806 2.370 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCC2(CCCC2)C1 ZINC000310888008 627316346 /nfs/dbraw/zinc/31/63/46/627316346.db2.gz XDGMXMHDKFIFKY-STQMWFEESA-N 1 0 250.386 2.154 10 0 CEAERO c1cc(-c2noc([C@H]3CC[NH2+]C3)n2)cc2c1CCC2 ZINC000311471067 627665585 /nfs/dbraw/zinc/66/55/85/627665585.db2.gz YHMKIPZUZPPDKU-ZDUSSCGKSA-N 1 0 255.321 2.302 10 0 CEAERO C[NH+](C)CC(C)(C)CNS(=O)(=O)/C=C\c1ccccc1 ZINC000219825075 627810321 /nfs/dbraw/zinc/81/03/21/627810321.db2.gz FPRFAJSYSLZFHS-KHPPLWFESA-N 1 0 296.436 2.165 10 0 CEAERO CON(C)C(=O)C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000309862914 628069307 /nfs/dbraw/zinc/06/93/07/628069307.db2.gz NJTWTMKAXNHVEP-ZETCQYMHSA-N 1 0 262.762 2.072 10 0 CEAERO C[C@@H]([NH2+]C[C@H]1CNC(=O)O1)c1ccc(Cl)s1 ZINC000309504856 628147295 /nfs/dbraw/zinc/14/72/95/628147295.db2.gz BQZFATQYDPKNTB-RQJHMYQMSA-N 1 0 260.746 2.161 10 0 CEAERO O[C@H]1CCC[C@@H]([NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000396328012 628207123 /nfs/dbraw/zinc/20/71/23/628207123.db2.gz WDGFWKPPFMDGMS-UPOSSJBDSA-N 1 0 281.318 2.116 10 0 CEAERO COCC1(c2noc([C@@H]3CC[C@H]([NH3+])C3)n2)CCCC1 ZINC000312922028 628563987 /nfs/dbraw/zinc/56/39/87/628563987.db2.gz HLDRLSHCOFOXBT-MNOVXSKESA-N 1 0 265.357 2.123 10 0 CEAERO COc1cc2c(c(Br)c1)O[C@@H](C)[C@@H]2[NH3+] ZINC000163000126 628826759 /nfs/dbraw/zinc/82/67/59/628826759.db2.gz ZGOPPMBOSDZATQ-CDUCUWFYSA-N 1 0 258.115 2.238 10 0 CEAERO CCC(CC)(CNC(=O)C[C@H]([NH3+])C(C)C)SC ZINC000225812679 628895431 /nfs/dbraw/zinc/89/54/31/628895431.db2.gz YBQAQIGOJHIOFO-NSHDSACASA-N 1 0 260.447 2.398 10 0 CEAERO Cc1ccc(Br)cc1C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000261540590 628936407 /nfs/dbraw/zinc/93/64/07/628936407.db2.gz AHMKCLDCQTTYOW-BXKDBHETSA-N 1 0 297.196 2.319 10 0 CEAERO C[NH2+][C@H](C)CNc1ccnc2cc(Br)cnc21 ZINC000261552242 628936758 /nfs/dbraw/zinc/93/67/58/628936758.db2.gz MTEOUAIPKZVUNP-MRVPVSSYSA-N 1 0 295.184 2.412 10 0 CEAERO O=C(CC[C@H]1CCC[NH2+]1)N1CCc2ccc(F)cc21 ZINC000261594853 628942199 /nfs/dbraw/zinc/94/21/99/628942199.db2.gz NSDIRDMMCYVIFT-CYBMUJFWSA-N 1 0 262.328 2.247 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1cc(F)c(Cl)cc1F ZINC000261593481 628942823 /nfs/dbraw/zinc/94/28/23/628942823.db2.gz ZEBSWZPCXYBUQP-KSBSHMNSSA-N 1 0 274.698 2.180 10 0 CEAERO COc1ccccc1Cc1noc([C@H]2CC[C@H]([NH3+])C2)n1 ZINC000097067974 628958117 /nfs/dbraw/zinc/95/81/17/628958117.db2.gz RFWSKJZJIKSGRV-RYUDHWBXSA-N 1 0 273.336 2.264 10 0 CEAERO COC[C@]1(C(=O)N[C@@H](C)c2cccc(Cl)c2)CC[NH2+]C1 ZINC000261696683 629093499 /nfs/dbraw/zinc/09/34/99/629093499.db2.gz IABPEMRFLLTBFT-NHYWBVRUSA-N 1 0 296.798 2.143 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)[C@H](C)CSc1ccccc1 ZINC000261750768 629181326 /nfs/dbraw/zinc/18/13/26/629181326.db2.gz NKDPDEISDFNGPX-NEPJUHHUSA-N 1 0 266.410 2.139 10 0 CEAERO Cc1cnc([C@@H](C)NC(=O)[C@@H]([NH3+])CC2CCCCC2)o1 ZINC000261778503 629190125 /nfs/dbraw/zinc/19/01/25/629190125.db2.gz PHXNXBFQIMWHNB-YPMHNXCESA-N 1 0 279.384 2.458 10 0 CEAERO C[NH+](C)C[C@H](NC(=O)Cc1cccc(N)c1)c1ccccc1 ZINC000261833306 629264305 /nfs/dbraw/zinc/26/43/05/629264305.db2.gz BMBNKIBRSCOVSH-KRWDZBQOSA-N 1 0 297.402 2.230 10 0 CEAERO Cc1cc(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)c2ccccc2n1 ZINC000261839070 629271358 /nfs/dbraw/zinc/27/13/58/629271358.db2.gz VNUUHWCTOCAPPO-SMDDNHRTSA-N 1 0 269.348 2.105 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)c1sccc1SC(F)F ZINC000261866579 629287609 /nfs/dbraw/zinc/28/76/09/629287609.db2.gz ZBFUPWLWNOOSMY-LURJTMIESA-N 1 0 280.365 2.401 10 0 CEAERO CSCCc1ccc(NC(=O)C2([NH3+])CCOCC2)cc1 ZINC000261937897 629347191 /nfs/dbraw/zinc/34/71/91/629347191.db2.gz XAKDRZBTCGZZKN-UHFFFAOYSA-N 1 0 294.420 2.039 10 0 CEAERO O[C@@H](C[NH2+]CCn1ccnc1)c1ccc(C(F)(F)F)cc1 ZINC000049077090 629748606 /nfs/dbraw/zinc/74/86/06/629748606.db2.gz IEQIFYJWUAVTJJ-ZDUSSCGKSA-N 1 0 299.296 2.225 10 0 CEAERO CCc1ccc(CC(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000237159035 629779410 /nfs/dbraw/zinc/77/94/10/629779410.db2.gz ZRGBKFACSPECMR-CABCVRRESA-N 1 0 260.381 2.035 10 0 CEAERO CC(C)(C)c1ccnc(N2CCC[C@H](CC[NH3+])C2)n1 ZINC000261660816 629837881 /nfs/dbraw/zinc/83/78/81/629837881.db2.gz ZCSBQYGOJIUCAL-GFCCVEGCSA-N 1 0 262.401 2.339 10 0 CEAERO COC[C@H]([NH3+])C(=O)NCC1CCC(c2ccccc2)CC1 ZINC000262269008 630588532 /nfs/dbraw/zinc/58/85/32/630588532.db2.gz KDHYMZYROFGXJX-BCLQGDPASA-N 1 0 290.407 2.050 10 0 CEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(N(CC)CC)cc1 ZINC000757185067 631830424 /nfs/dbraw/zinc/83/04/24/631830424.db2.gz QCQQZAFIFHRAGE-JKSUJKDBSA-N 1 0 290.407 2.399 10 0 CEAERO C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)Cc2ccccc2)C1 ZINC000151017300 639165346 /nfs/dbraw/zinc/16/53/46/639165346.db2.gz VKTXKRBZSSFJCE-DZGCQCFKSA-N 1 0 260.381 2.076 10 0 CEAERO CCO[C@@H]1C[C@@H]([N@H+](C)CN2CCOC2=S)C12CCCC2 ZINC000156504294 639361210 /nfs/dbraw/zinc/36/12/10/639361210.db2.gz IXYWEFTWLGOKSA-CHWSQXEVSA-N 1 0 298.452 2.231 10 0 CEAERO C[NH2+]CCc1noc(-c2ccc(Cl)cc2C)n1 ZINC000225443397 639497590 /nfs/dbraw/zinc/49/75/90/639497590.db2.gz SPBPBMVJBPFSLF-UHFFFAOYSA-N 1 0 251.717 2.460 10 0 CEAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CCCCCCO ZINC000226838936 639566254 /nfs/dbraw/zinc/56/62/54/639566254.db2.gz UXXJVAFLSWSITK-LSDHHAIUSA-N 1 0 254.418 2.098 10 0 CEAERO CO[C@@H](c1noc(C[C@H]([NH3+])c2ccccc2)n1)C1CC1 ZINC000227332843 639584999 /nfs/dbraw/zinc/58/49/99/639584999.db2.gz OLMKZYBGXQLISY-GXTWGEPZSA-N 1 0 273.336 2.410 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000227339547 639585845 /nfs/dbraw/zinc/58/58/45/639585845.db2.gz VXELEPAIXDOFIQ-GBJTYRQASA-N 1 0 280.412 2.064 10 0 CEAERO Nc1ccc(O[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000061702178 639722733 /nfs/dbraw/zinc/72/27/33/639722733.db2.gz PYEAPJZYTPYPJA-HNNXBMFYSA-N 1 0 269.348 2.317 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+][C@H]2CCCOC2)C1 ZINC000230393704 639756943 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SGJHOWLNKFWWOZ-LBPRGKRZSA-N 1 0 294.786 2.437 10 0 CEAERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc2ccccc2n1 ZINC000124508763 187140903 /nfs/dbraw/zinc/14/09/03/187140903.db2.gz VIRULNSLHMXRDR-JSGCOSHPSA-N 1 0 283.375 2.321 10 0 CEAERO Cc1nc2ccccc2nc1N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261809336 282088960 /nfs/dbraw/zinc/08/89/60/282088960.db2.gz SBCVUAKCMXWUPD-YNEHKIRRSA-N 1 0 268.364 2.112 10 0 CEAERO CC[C@@H]1CN(CCc2ccc(C)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000124591184 187144557 /nfs/dbraw/zinc/14/45/57/187144557.db2.gz ISFOZWFMGFSKAX-SJLPKXTDSA-N 1 0 290.451 2.315 10 0 CEAERO [NH3+]C[C@@H](O[C@@H]1CCOC1)c1ccc(Br)s1 ZINC000082458962 178034090 /nfs/dbraw/zinc/03/40/90/178034090.db2.gz SURHFVZMXMLIRR-HTQZYQBOSA-N 1 0 292.198 2.316 10 0 CEAERO COc1c(C[N@@H+]2CCCC(C)(C)C2)c(C)nn1C ZINC000121140145 365527116 /nfs/dbraw/zinc/52/71/16/365527116.db2.gz GOXHJEXPTFKNRV-UHFFFAOYSA-N 1 0 251.374 2.359 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(Br)cc1 ZINC000082558837 178095670 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CCc1ccc([C@H](C)[NH2+]CC[C@@H]2CCNC2=O)cc1 ZINC000395832097 539187786 /nfs/dbraw/zinc/18/77/86/539187786.db2.gz VMGMBTZAGQHCDO-SWLSCSKDSA-N 1 0 260.381 2.426 10 0 CEAERO O=C(CC1CC1)N1CC[C@@H]2CC[C@]21[C@@H]1CCC[NH2+]C1 ZINC000725263418 539212202 /nfs/dbraw/zinc/21/22/02/539212202.db2.gz CVSDMEIKLYBZHR-SQWLQELKSA-N 1 0 262.397 2.167 10 0 CEAERO CCOC(=O)C1CC[NH+]([C@@H]2CC[C@@H]3CC[C@@H]32)CC1 ZINC000725263963 539212697 /nfs/dbraw/zinc/21/26/97/539212697.db2.gz YEEPTVTZURRHCZ-FPMFFAJLSA-N 1 0 251.370 2.450 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@@H](C)c2cccc(F)c2F)C1 ZINC000223944325 539271329 /nfs/dbraw/zinc/27/13/29/539271329.db2.gz MTQRGLHKUZIHAI-RYUDHWBXSA-N 1 0 284.350 2.336 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000224790248 539275933 /nfs/dbraw/zinc/27/59/33/539275933.db2.gz GARHFAFZRISTSA-BZUAXINKSA-N 1 0 266.429 2.266 10 0 CEAERO C[C@@H](CNC(=O)C1CCC([NH3+])CC1)c1ccccc1 ZINC000040857833 362008425 /nfs/dbraw/zinc/00/84/25/362008425.db2.gz CXGOBBFYXTXUIY-GRTSSRMGSA-N 1 0 260.381 2.424 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cccc(C(C)=O)c2)C1 ZINC000041663387 362046314 /nfs/dbraw/zinc/04/63/14/362046314.db2.gz GCLDITLFEWOQHC-HNNXBMFYSA-N 1 0 289.379 2.495 10 0 CEAERO C[C@H](NCC[NH2+][C@@H](C)c1ccccn1)c1ccccn1 ZINC000019362149 343374608 /nfs/dbraw/zinc/37/46/08/343374608.db2.gz JPAOPUWOGMRBHW-KBPBESRZSA-N 1 0 270.380 2.478 10 0 CEAERO Cc1cnc(N2CC[C@@H]([NH+](C)C)C2)c(Br)c1 ZINC000097846323 539307880 /nfs/dbraw/zinc/30/78/80/539307880.db2.gz QDLNDOSLKURANM-SNVBAGLBSA-N 1 0 284.201 2.293 10 0 CEAERO O[C@H]1CCC[C@H]([NH2+]Cc2ccn(-c3ccccc3)n2)C1 ZINC000124899231 539307926 /nfs/dbraw/zinc/30/79/26/539307926.db2.gz SAFBGVHDKVSNKE-BBRMVZONSA-N 1 0 271.364 2.265 10 0 CEAERO CCOC(OCC)c1cccc(OCCC[NH3+])c1 ZINC000034224155 343419641 /nfs/dbraw/zinc/41/96/41/343419641.db2.gz FTNUSUDCMDTRAZ-UHFFFAOYSA-N 1 0 253.342 2.486 10 0 CEAERO O=C(C[NH2+]CC1CC1)N[C@H]1CCCC[C@H]1C(F)(F)F ZINC000037613443 343429699 /nfs/dbraw/zinc/42/96/99/343429699.db2.gz YXPCDJZBDQFZHK-MNOVXSKESA-N 1 0 278.318 2.223 10 0 CEAERO CC(C)N(CC1CC1)C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000042591664 343454124 /nfs/dbraw/zinc/45/41/24/343454124.db2.gz HNLGQSZDGMXFRQ-OAHLLOKOSA-N 1 0 260.381 2.203 10 0 CEAERO COc1ccccc1C(=O)NCCCC[NH+]1CCCC1 ZINC000044456339 343472090 /nfs/dbraw/zinc/47/20/90/343472090.db2.gz BEPGVXIIQWZZMI-UHFFFAOYSA-N 1 0 276.380 2.301 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CC[C@H](c2ccccc2)C1 ZINC000228231016 539325905 /nfs/dbraw/zinc/32/59/05/539325905.db2.gz DIMQPQRBXIRWHX-HRCADAONSA-N 1 0 272.392 2.378 10 0 CEAERO CC[C@H](O)[C@H](C[NH3+])c1cccc(Br)c1 ZINC000083564562 178581264 /nfs/dbraw/zinc/58/12/64/178581264.db2.gz VKDYAOGENKVALD-MNOVXSKESA-N 1 0 258.159 2.262 10 0 CEAERO Cc1nn2c(CN3C[C@H](C)[C@H]([NH3+])C3)c(C(C)C)nc2s1 ZINC000262068712 282305996 /nfs/dbraw/zinc/30/59/96/282305996.db2.gz RVLZEOIQGNSRHG-GXSJLCMTSA-N 1 0 293.440 2.002 10 0 CEAERO C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCO[C@H]1c1ccccc1 ZINC000251094147 290717069 /nfs/dbraw/zinc/71/70/69/290717069.db2.gz KYBYEHYLJJITTH-BPUTZDHNSA-N 1 0 290.407 2.126 10 0 CEAERO CCC[N@H+](C[C@@H](O)CN1CCCC1=O)CC1CCCCC1 ZINC000111684925 344271402 /nfs/dbraw/zinc/27/14/02/344271402.db2.gz OMCQWKCQDWSRES-MRXNPFEDSA-N 1 0 296.455 2.262 10 0 CEAERO C[N@@H+]1CCc2ccc(NC(=O)c3cccc(C[NH3+])c3)cc2C1 ZINC000113533994 344277561 /nfs/dbraw/zinc/27/75/61/344277561.db2.gz WCSYNOQMLVSKPI-UHFFFAOYSA-N 1 0 295.386 2.386 10 0 CEAERO CCC[NH2+][C@H]1CCN(c2ccc(Br)cn2)C1 ZINC000117099090 344288213 /nfs/dbraw/zinc/28/82/13/344288213.db2.gz FYPWVGSEROJEHT-NSHDSACASA-N 1 0 284.201 2.422 10 0 CEAERO C[NH+]1CCC(Cn2cc(CC(N)=O)c3ccccc32)CC1 ZINC000117725307 344289684 /nfs/dbraw/zinc/28/96/84/344289684.db2.gz SIBVACYMKJETLH-UHFFFAOYSA-N 1 0 285.391 2.011 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1Oc1ncccc1Br ZINC000131582358 344358854 /nfs/dbraw/zinc/35/88/54/344358854.db2.gz KHNXKKJCRCERMP-DTWKUNHWSA-N 1 0 257.131 2.103 10 0 CEAERO CC[C@@H]1c2ccsc2CCN1C(=O)C1([NH3+])CCOCC1 ZINC000132183890 344361866 /nfs/dbraw/zinc/36/18/66/344361866.db2.gz VQADEJYDKHGXFY-GFCCVEGCSA-N 1 0 294.420 2.092 10 0 CEAERO CC(C)CNC(=[NH2+])c1ncccc1Br ZINC000133378048 344368500 /nfs/dbraw/zinc/36/85/00/344368500.db2.gz ZSCLHAKYUMYUBO-UHFFFAOYSA-N 1 0 256.147 2.415 10 0 CEAERO COc1ccc(N(C)C(=O)[C@]2(C)CCCC[NH2+]2)cc1 ZINC000133396980 344368596 /nfs/dbraw/zinc/36/85/96/344368596.db2.gz HVCLBCZOWYXZAY-HNNXBMFYSA-N 1 0 262.353 2.190 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC000134438006 344374265 /nfs/dbraw/zinc/37/42/65/344374265.db2.gz CPTFKORJQDONRM-LBPRGKRZSA-N 1 0 286.778 2.289 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]Cc2ccnc3ccccc23)C1 ZINC000134482095 344374927 /nfs/dbraw/zinc/37/49/27/344374927.db2.gz IBCKNUBVQWEFDJ-HNNXBMFYSA-N 1 0 285.391 2.045 10 0 CEAERO CCOc1ccc(NC(=O)[C@@]2(C)CCC[NH2+]2)cc1F ZINC000135363396 344381260 /nfs/dbraw/zinc/38/12/60/344381260.db2.gz NZZCPWUTBBUFMN-CQSZACIVSA-N 1 0 266.316 2.305 10 0 CEAERO COc1cc([C@@H](C)[C@@H](C)[NH3+])c(OC)c2c1CCOC2 ZINC000138430921 344390446 /nfs/dbraw/zinc/39/04/46/344390446.db2.gz UZTUXQRLJCJMPW-VHSXEESVSA-N 1 0 265.353 2.227 10 0 CEAERO CCOC(=O)[C@H]1CC2(CC[NH2+]CC2)c2ccccc21 ZINC000142800757 344404428 /nfs/dbraw/zinc/40/44/28/344404428.db2.gz DUYYNZFTMIPRJL-ZDUSSCGKSA-N 1 0 259.349 2.358 10 0 CEAERO CC(C)(COCC[NH+]1CCC(O)CC1)c1ccccc1 ZINC000148081211 344413116 /nfs/dbraw/zinc/41/31/16/344413116.db2.gz DXJCFRYHHMPXKV-UHFFFAOYSA-N 1 0 277.408 2.438 10 0 CEAERO CC1(C)CN(CC2CC[NH2+]CC2)c2cc(N)ccc21 ZINC000149225517 344414753 /nfs/dbraw/zinc/41/47/53/344414753.db2.gz YJDIJIIGGKGCCD-UHFFFAOYSA-N 1 0 259.397 2.366 10 0 CEAERO O=[N+]([O-])c1ccc(CN2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000149493486 344414928 /nfs/dbraw/zinc/41/49/28/344414928.db2.gz SQBMNLHHBDQRAK-UHFFFAOYSA-N 1 0 289.257 2.019 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@@]2(C1)[NH2+]CCCS2 ZINC000159147716 344453897 /nfs/dbraw/zinc/45/38/97/344453897.db2.gz XCVZLNOUNYZIFG-CYBMUJFWSA-N 1 0 272.414 2.440 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1Oc1ccncc1Br ZINC000159994017 344456750 /nfs/dbraw/zinc/45/67/50/344456750.db2.gz CGPMQDXGVORJEN-PSASIEDQSA-N 1 0 257.131 2.103 10 0 CEAERO C[NH2+][C@H]1COc2c1cc(OC)cc2Br ZINC000163000698 344469204 /nfs/dbraw/zinc/46/92/04/344469204.db2.gz KQUACKHKVCJEPG-VIFPVBQESA-N 1 0 258.115 2.111 10 0 CEAERO Cc1cnc(NCC[C@H](C)[NH3+])c(Br)c1 ZINC000163488350 344470365 /nfs/dbraw/zinc/47/03/65/344470365.db2.gz PXJAGXGLZMAZHK-QMMMGPOBSA-N 1 0 258.163 2.302 10 0 CEAERO OC[C@@H]1CCCC[C@@H]1[NH+]1CCN(Cc2ccccc2)CC1 ZINC000209067248 344529924 /nfs/dbraw/zinc/52/99/24/344529924.db2.gz OBQSITRWCFTVNZ-ROUUACIJSA-N 1 0 288.435 2.355 10 0 CEAERO Brc1ccc2c(c1)NC[C@]21CC[NH2+]C1 ZINC000211148211 344531551 /nfs/dbraw/zinc/53/15/51/344531551.db2.gz SBHXNHQWRCTHHF-LLVKDONJSA-N 1 0 253.143 2.106 10 0 CEAERO C[C@H]([NH3+])[C@H](O)c1cc(Br)ccc1Cl ZINC000218532944 344536861 /nfs/dbraw/zinc/53/68/61/344536861.db2.gz RGIPMGGWTVZYRV-CDUCUWFYSA-N 1 0 264.550 2.483 10 0 CEAERO Cc1ccc(C)c(S(=O)(=O)N(C)[C@H]2CCC[NH2+]CC2)c1 ZINC000226462970 344550416 /nfs/dbraw/zinc/55/04/16/344550416.db2.gz ZSUYQUNDVGJCPZ-AWEZNQCLSA-N 1 0 296.436 2.066 10 0 CEAERO Cc1cc(N2CCc3ccccc3[C@H]2C[NH3+])nc(C)n1 ZINC000227724780 344556372 /nfs/dbraw/zinc/55/63/72/344556372.db2.gz SIBPZBSMSDBICR-OAHLLOKOSA-N 1 0 268.364 2.156 10 0 CEAERO CCCCOC[C@@H](O)C[NH2+][C@@H](C)Cc1cccs1 ZINC000227892534 344557465 /nfs/dbraw/zinc/55/74/65/344557465.db2.gz DSNKBVAMXZRMPM-STQMWFEESA-N 1 0 271.426 2.446 10 0 CEAERO [NH3+]C1CN(Cc2cc(Br)c(Cl)s2)C1 ZINC000227909387 344557534 /nfs/dbraw/zinc/55/75/34/344557534.db2.gz RJHIVTFICRSTLX-UHFFFAOYSA-N 1 0 281.606 2.307 10 0 CEAERO CCN(C)C(=O)C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000230066854 344569416 /nfs/dbraw/zinc/56/94/16/344569416.db2.gz YGUBUTIPCOKJMK-VHSXEESVSA-N 1 0 266.307 2.175 10 0 CEAERO NC(=[NH2+])c1ccc(Br)c(Br)c1 ZINC000236261963 344594914 /nfs/dbraw/zinc/59/49/14/344594914.db2.gz CXBJWRDTYPISHI-UHFFFAOYSA-N 1 0 277.947 2.496 10 0 CEAERO C[N@H+](C[C@H](O)COC(C)(C)C)C(C1CC1)C1CC1 ZINC000051579582 362431530 /nfs/dbraw/zinc/43/15/30/362431530.db2.gz HPYBSGLLLIIEFS-ZDUSSCGKSA-N 1 0 255.402 2.283 10 0 CEAERO CCCOc1ccc(NC(=O)C2(C[NH3+])CCOCC2)cc1 ZINC000051785640 362437769 /nfs/dbraw/zinc/43/77/69/362437769.db2.gz IAUCJQGHULDFOO-UHFFFAOYSA-N 1 0 292.379 2.169 10 0 CEAERO CCCCOC[C@H](O)C[NH2+][C@@H]1CCC[C@@H](SC)C1 ZINC000233001806 344581308 /nfs/dbraw/zinc/58/13/08/344581308.db2.gz KGUMRWQOQDDHGV-MGPQQGTHSA-N 1 0 275.458 2.428 10 0 CEAERO COc1ccc2cc(C[NH2+][C@@H]3CCCNC3=O)ccc2c1 ZINC000050393816 362416991 /nfs/dbraw/zinc/41/69/91/362416991.db2.gz VNPUOFMRFDDVHE-MRXNPFEDSA-N 1 0 284.359 2.217 10 0 CEAERO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](C)C(C)(C)C)C1 ZINC000246324463 344615822 /nfs/dbraw/zinc/61/58/22/344615822.db2.gz ATIULNWPEANYFJ-CHWSQXEVSA-N 1 0 269.433 2.404 10 0 CEAERO CCN(C(=O)C[N@@H+]1CCC[C@@H]1CCCO)C1CCCCC1 ZINC000052762263 362474094 /nfs/dbraw/zinc/47/40/94/362474094.db2.gz KNAVBXMISKPPFG-OAHLLOKOSA-N 1 0 296.455 2.405 10 0 CEAERO OCCC[C@H]1CCC[N@@H+]1CCOc1ccccc1F ZINC000052761933 362474216 /nfs/dbraw/zinc/47/42/16/362474216.db2.gz QVWPULKXXKNAIW-CYBMUJFWSA-N 1 0 267.344 2.441 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@@H]1[C@@H](C)[C@H](OC)C1(CC)CC ZINC000262590055 344654745 /nfs/dbraw/zinc/65/47/45/344654745.db2.gz ULDDXPGPCLYBBJ-XQHKEYJVSA-N 1 0 270.417 2.070 10 0 CEAERO CC(C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000262609245 344655034 /nfs/dbraw/zinc/65/50/34/344655034.db2.gz CJKZCJVSUMPIIU-MJBXVCDLSA-N 1 0 252.402 2.399 10 0 CEAERO CCC[C@@H]1C[C@H]1NC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000300576549 344700576 /nfs/dbraw/zinc/70/05/76/344700576.db2.gz CFZXVVAYXJTDBO-BYCMXARLSA-N 1 0 258.365 2.178 10 0 CEAERO C[C@@H]1[C@H](Nc2cnc(N)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000306605914 344715629 /nfs/dbraw/zinc/71/56/29/344715629.db2.gz QMJJPIHEZCIAHI-TZMCWYRMSA-N 1 0 283.379 2.134 10 0 CEAERO CCn1cnnc1[C@H]1C[N@H+](C[C@@H]2CC=CCC2)CCO1 ZINC000328641744 344758145 /nfs/dbraw/zinc/75/81/45/344758145.db2.gz QTZVBBAWQOZKAU-ZIAGYGMSSA-N 1 0 276.384 2.028 10 0 CEAERO CC[C@H](CC[NH3+])CCC(=O)Nc1ccc(C(N)=O)cc1C ZINC000083709266 178721265 /nfs/dbraw/zinc/72/12/65/178721265.db2.gz QYHLGJDURKJURY-LBPRGKRZSA-N 1 0 291.395 2.188 10 0 CEAERO COc1cc(NC[C@@H]2CCCC[NH2+]2)c([N+](=O)[O-])cc1C ZINC000380060974 344821866 /nfs/dbraw/zinc/82/18/66/344821866.db2.gz FVCNCZRIFYBCNL-NSHDSACASA-N 1 0 279.340 2.466 10 0 CEAERO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[C@H](O)C1 ZINC000380748201 344823428 /nfs/dbraw/zinc/82/34/28/344823428.db2.gz NBKAFFFQZAKSMC-RDBSUJKOSA-N 1 0 283.412 2.344 10 0 CEAERO C[C@H](O)[C@@](C)(C[NH3+])Cc1ccc(Br)s1 ZINC000083777482 178745804 /nfs/dbraw/zinc/74/58/04/178745804.db2.gz OEWQYPNSFBCNGB-OIBJUYFYSA-N 1 0 278.215 2.399 10 0 CEAERO CCC1CCC([NH2+][C@H]2CCCN(CCO)C2)CC1 ZINC000384300091 344828098 /nfs/dbraw/zinc/82/80/98/344828098.db2.gz BPCGXSHPNRSKTP-NRXISQOPSA-N 1 0 254.418 2.002 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@@H](C[NH3+])[C@H]1c1cccnc1 ZINC000396153469 344846123 /nfs/dbraw/zinc/84/61/23/344846123.db2.gz CFEYMEPCXVSBOI-AAEUAGOBSA-N 1 0 277.368 2.338 10 0 CEAERO C[C@@H]([NH3+])C[S@](=O)c1ccc(Cl)c(Cl)c1 ZINC000083867759 178755774 /nfs/dbraw/zinc/75/57/74/178755774.db2.gz CNHXWTBDPOWXFE-RWBAJPLHSA-N 1 0 252.166 2.448 10 0 CEAERO Cc1cccc([C@H](C)[NH2+]C2CCN(CCO)CC2)c1 ZINC000399116664 344857211 /nfs/dbraw/zinc/85/72/11/344857211.db2.gz NAXWCGQMZSYYRI-AWEZNQCLSA-N 1 0 262.397 2.102 10 0 CEAERO c1ccc(-c2noc([C@]34CCC[C@@H]3C[NH2+]C4)n2)cc1 ZINC000407986758 344886491 /nfs/dbraw/zinc/88/64/91/344886491.db2.gz HMPDLAZETKCVNO-DOMZBBRYSA-N 1 0 255.321 2.378 10 0 CEAERO CCOC(=O)[C@H](CC)Oc1ccccc1C[NH2+]C ZINC000084098564 178788982 /nfs/dbraw/zinc/78/89/82/178788982.db2.gz FLZGCDZHISIDGP-LBPRGKRZSA-N 1 0 251.326 2.127 10 0 CEAERO C[NH+](C)CCCN1C(=O)CC2(CCCCC2)CC1=O ZINC000584631106 344969978 /nfs/dbraw/zinc/96/99/78/344969978.db2.gz UFCWVCSBJXPNKM-UHFFFAOYSA-N 1 0 266.385 2.038 10 0 CEAERO CC[C@@H]1[C@@H]([NH2+]C)c2c(c(C)ccc2C)S1(=O)=O ZINC000084119000 178795563 /nfs/dbraw/zinc/79/55/63/178795563.db2.gz YZUAFXSYOGRETP-ZYHUDNBSSA-N 1 0 253.367 2.130 10 0 CEAERO CNc1c(N)c[nH+]c2ccc(OC(F)(F)F)cc21 ZINC000584882233 344996563 /nfs/dbraw/zinc/99/65/63/344996563.db2.gz VUDRWMGEWLVUIW-UHFFFAOYSA-N 1 0 257.215 2.179 10 0 CEAERO CC[C@@H]1CO[C@@H](C)CN1C(=O)CC1([NH3+])CCCCC1 ZINC000084164450 178811218 /nfs/dbraw/zinc/81/12/18/178811218.db2.gz STWXSOUROMBJLY-QWHCGFSZSA-N 1 0 268.401 2.064 10 0 CEAERO CC(C)([NH3+])CC(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000084165776 178811232 /nfs/dbraw/zinc/81/12/32/178811232.db2.gz PSGSIBPBIPJPDG-UHFFFAOYSA-N 1 0 264.325 2.260 10 0 CEAERO COC(=O)c1cc(NC(=O)CC2([NH3+])CCCC2)ccc1F ZINC000084167171 178812126 /nfs/dbraw/zinc/81/21/26/178812126.db2.gz PPHFLKIHAAJSNE-UHFFFAOYSA-N 1 0 294.326 2.212 10 0 CEAERO C[NH2+][C@H](C)C(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000054074967 362510556 /nfs/dbraw/zinc/51/05/56/362510556.db2.gz LGAGFSLPWPJPNN-OLZOCXBDSA-N 1 0 260.381 2.422 10 0 CEAERO [NH3+]C1(CC(=O)N[C@@H]2CCCc3occc32)CCCC1 ZINC000084184331 178818982 /nfs/dbraw/zinc/81/89/82/178818982.db2.gz DCQKBNMSGKABGQ-GFCCVEGCSA-N 1 0 262.353 2.435 10 0 CEAERO COC(=O)Nc1cccc(NC(=O)C[C@@H]2CCC[NH2+]C2)c1 ZINC000054307587 362526564 /nfs/dbraw/zinc/52/65/64/362526564.db2.gz ANRACGPJCKFYLU-NSHDSACASA-N 1 0 291.351 2.193 10 0 CEAERO CC[C@H]([NH2+][C@H](CC(C)C)CN(C)C)[C@@H]1CCOC1 ZINC000336785752 365804083 /nfs/dbraw/zinc/80/40/83/365804083.db2.gz FXQXLZWWQCHRJZ-KFWWJZLASA-N 1 0 256.434 2.367 10 0 CEAERO CCCCS(=O)(=O)[C@H]1C[C@@H](CC)CC[C@@H]1C[NH3+] ZINC000084270928 178837521 /nfs/dbraw/zinc/83/75/21/178837521.db2.gz ASRLWSNWEVCOMK-XQQFMLRXSA-N 1 0 261.431 2.355 10 0 CEAERO Cc1nn(C)c(C[C@H]2CCC[C@H]2[NH3+])c1Br ZINC000084271878 178838246 /nfs/dbraw/zinc/83/82/46/178838246.db2.gz POCWLAVILJFFHO-RKDXNWHRSA-N 1 0 272.190 2.161 10 0 CEAERO C[NH2+][C@@H](C[C@H]1CCS(=O)(=O)C1)c1ccc(C)c(C)c1 ZINC000097073179 185520926 /nfs/dbraw/zinc/52/09/26/185520926.db2.gz OBCAMEXRDHFPCG-HIFRSBDPSA-N 1 0 281.421 2.389 10 0 CEAERO CCc1nnc(NC[C@@H]([NH3+])c2ccccc2)nc1CC ZINC000097837899 232187606 /nfs/dbraw/zinc/18/76/06/232187606.db2.gz FSMUVUHWUBEXNR-GFCCVEGCSA-N 1 0 271.368 2.108 10 0 CEAERO C[NH2+][C@H](C)C[C@@H](C)S(=O)(=O)c1cc(F)ccc1F ZINC000084357008 178867590 /nfs/dbraw/zinc/86/75/90/178867590.db2.gz ONRWCIRGHGFTSF-RKDXNWHRSA-N 1 0 277.336 2.125 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CC2CCCC2)C1 ZINC000057617707 362589778 /nfs/dbraw/zinc/58/97/78/362589778.db2.gz USMGJDVZZDOWDD-CQSZACIVSA-N 1 0 267.417 2.302 10 0 CEAERO CCC(C)(C)O[C@@H](C)C[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000084367036 178875125 /nfs/dbraw/zinc/87/51/25/178875125.db2.gz LXHNGRARILLNGU-SMDDNHRTSA-N 1 0 258.406 2.212 10 0 CEAERO C[NH2+][C@H]1CC[C@H](S(=O)(=O)c2cccc(Cl)c2)C1 ZINC000084433832 178887641 /nfs/dbraw/zinc/88/76/41/178887641.db2.gz YOTXLJIISBQDPK-JQWIXIFHSA-N 1 0 273.785 2.254 10 0 CEAERO CCc1cc([C@@H]([NH3+])c2ccc(F)c(F)c2F)n(C)n1 ZINC000097179598 185556305 /nfs/dbraw/zinc/55/63/05/185556305.db2.gz KVIPELFXWMAAHF-ZDUSSCGKSA-N 1 0 269.270 2.448 10 0 CEAERO Cc1cnc([C@@H]([NH3+])CCc2ccc3c(c2)CCO3)cn1 ZINC000097197031 185558546 /nfs/dbraw/zinc/55/85/46/185558546.db2.gz DNAOTJOTZFYEOW-AWEZNQCLSA-N 1 0 269.348 2.353 10 0 CEAERO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000057879221 362599588 /nfs/dbraw/zinc/59/95/88/362599588.db2.gz ZFHYFVUEURBNSW-NWDGAFQWSA-N 1 0 291.395 2.305 10 0 CEAERO COc1c(C)cnc(C[C@@](C)(O)C[NH2+]C(C)(C)C)c1C ZINC000097210648 185565138 /nfs/dbraw/zinc/56/51/38/185565138.db2.gz AGDVZGDUXBBKFW-MRXNPFEDSA-N 1 0 280.412 2.389 10 0 CEAERO CC[C@H](C)n1ccc(C[C@H]([NH3+])[C@@H]2CCSC2)n1 ZINC000097225082 185568333 /nfs/dbraw/zinc/56/83/33/185568333.db2.gz WIUCLVMKUGMZMX-LOWVWBTDSA-N 1 0 253.415 2.477 10 0 CEAERO CC[NH2+][C@@H](CC[C@H]1CCCO1)c1cnn(C)c1C ZINC000097238267 185571132 /nfs/dbraw/zinc/57/11/32/185571132.db2.gz SHDLMRBYVVLJRJ-OCCSQVGLSA-N 1 0 251.374 2.338 10 0 CEAERO O[C@@H]1C[NH2+][C@@H](CNc2ccc(-c3ccccc3)cc2)C1 ZINC000097244334 185572772 /nfs/dbraw/zinc/57/27/72/185572772.db2.gz WVAIQRPULAOBMA-SJORKVTESA-N 1 0 268.360 2.488 10 0 CEAERO CC(C)[C@](O)(C[NH3+])c1cc(Br)ccc1F ZINC000084666742 178911171 /nfs/dbraw/zinc/91/11/71/178911171.db2.gz FGURVRJBVZVAMN-LLVKDONJSA-N 1 0 276.149 2.391 10 0 CEAERO CCCOCC[C@@H]([NH3+])Cc1c(Cl)c(CC)nn1C ZINC000097276133 185576328 /nfs/dbraw/zinc/57/63/28/185576328.db2.gz DAJHTKNMLCDVIJ-SNVBAGLBSA-N 1 0 273.808 2.322 10 0 CEAERO CCc1nn(C)c(C[C@H]([NH3+])C[C@H](C)COC)c1Cl ZINC000097276050 185577082 /nfs/dbraw/zinc/57/70/82/185577082.db2.gz SYSMINRJUJMVGT-VHSXEESVSA-N 1 0 273.808 2.178 10 0 CEAERO CC[NH2+][C@@H](Cc1ncnn1C(C)C)[C@@H]1CCSC1 ZINC000097277536 185577183 /nfs/dbraw/zinc/57/71/83/185577183.db2.gz ISLJTEMYZBFAAQ-NEPJUHHUSA-N 1 0 268.430 2.133 10 0 CEAERO C[C@@H]([NH3+])c1ccc(NC(=O)c2cncc(F)c2)cc1 ZINC000156738040 232237995 /nfs/dbraw/zinc/23/79/95/232237995.db2.gz ZZOZVSIPCLWLKT-SECBINFHSA-N 1 0 259.284 2.493 10 0 CEAERO CCOCC[C@H]([NH3+])Cc1c(Cl)c(CC)nn1CC ZINC000097279663 185578233 /nfs/dbraw/zinc/57/82/33/185578233.db2.gz FKNIWWDTFXAXHS-JTQLQIEISA-N 1 0 273.808 2.415 10 0 CEAERO COc1ncccc1[C@H]([NH3+])[C@H]1CCOC2(CCC2)C1 ZINC000097306016 185582722 /nfs/dbraw/zinc/58/27/22/185582722.db2.gz OHTHMAKIFGFXGL-WCQYABFASA-N 1 0 262.353 2.439 10 0 CEAERO CC[NH2+][C@@H](c1ccnnc1)[C@H]1CCOC2(CCC2)C1 ZINC000097305975 185582793 /nfs/dbraw/zinc/58/27/93/185582793.db2.gz QUAUFHBMZYELKW-GXTWGEPZSA-N 1 0 261.369 2.477 10 0 CEAERO CC1CC(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000516177378 313083959 /nfs/dbraw/zinc/08/39/59/313083959.db2.gz IHFGMDSOJCCZON-UXUKBGGZSA-N 1 0 250.386 2.023 10 0 CEAERO CC(C)[NH2+]Cc1nnnn1C1C[C@@H](C)C[C@H](C)C1 ZINC000084978141 178937496 /nfs/dbraw/zinc/93/74/96/178937496.db2.gz SQUYRWVKYGNLAI-QWRGUYRKSA-N 1 0 251.378 2.168 10 0 CEAERO C[NH2+][C@@H](Cc1ccn(C)n1)C1CCC(F)(F)CC1 ZINC000097380462 185595273 /nfs/dbraw/zinc/59/52/73/185595273.db2.gz NFYCANOZEHTKNZ-LBPRGKRZSA-N 1 0 257.328 2.376 10 0 CEAERO CC[C@H]([NH3+])[C@@H](CC(=O)OC)c1ccc(OC)c(C)c1 ZINC000097432136 185602560 /nfs/dbraw/zinc/60/25/60/185602560.db2.gz KINPLGPMYQCZJR-STQMWFEESA-N 1 0 265.353 2.388 10 0 CEAERO CCCOc1ccc([C@H](CC(=O)OC)[C@H](C)[NH3+])cc1 ZINC000097431257 185601571 /nfs/dbraw/zinc/60/15/71/185601571.db2.gz RONBICBYYUPMCI-SMDDNHRTSA-N 1 0 265.353 2.469 10 0 CEAERO C[NH2+]C[C@](C)(O)Cc1ccc(Br)cc1F ZINC000085075192 178947952 /nfs/dbraw/zinc/94/79/52/178947952.db2.gz YXERXWSHHWHKQA-LLVKDONJSA-N 1 0 276.149 2.101 10 0 CEAERO CCOc1cccc([C@@H](CC(=O)OC)[C@H]([NH3+])CC)c1 ZINC000097432045 185602150 /nfs/dbraw/zinc/60/21/50/185602150.db2.gz GMVDPGFCMWYXIH-ZIAGYGMSSA-N 1 0 265.353 2.469 10 0 CEAERO Cc1cccc(NC[C@@H]2CCN(Cc3csnn3)C2)[nH+]1 ZINC000128282844 187361907 /nfs/dbraw/zinc/36/19/07/187361907.db2.gz GHCNSZKEYSUDSF-LBPRGKRZSA-N 1 0 289.408 2.176 10 0 CEAERO CC(C)Oc1cccc(C(=O)NC[C@@H](C)CC[NH3+])c1 ZINC000097440616 185605026 /nfs/dbraw/zinc/60/50/26/185605026.db2.gz KPPJUOIQROCNBI-LBPRGKRZSA-N 1 0 264.369 2.189 10 0 CEAERO Cc1cc2c(ncnc2N2C[C@H](C)[NH2+]C[C@@H]2C)s1 ZINC000086471556 136512684 /nfs/dbraw/zinc/51/26/84/136512684.db2.gz AXPXEVDAWMSRHO-IUCAKERBSA-N 1 0 262.382 2.186 10 0 CEAERO CCN(C[C@](C)(CO)[NH2+]C(C)C)c1ccccc1F ZINC000085213965 178978298 /nfs/dbraw/zinc/97/82/98/178978298.db2.gz MWIZCZSTXMGOFW-OAHLLOKOSA-N 1 0 268.376 2.401 10 0 CEAERO CCC[NH2+][C@H](CO)CCN(C)c1cccc(F)c1 ZINC000085215202 178979395 /nfs/dbraw/zinc/97/93/95/178979395.db2.gz QXWNKEGVGKWFNB-ZDUSSCGKSA-N 1 0 254.349 2.013 10 0 CEAERO CC[C@@](C)([C@@H](Cc1cc(C)ccc1OC)NN)[NH+](C)C ZINC000097583181 185630527 /nfs/dbraw/zinc/63/05/27/185630527.db2.gz GSBDVJVGKKRMTI-CVEARBPZSA-N 1 0 279.428 2.108 10 0 CEAERO CC[C@](C)([C@@H](NN)c1cccc2cnccc21)[NH+](C)C ZINC000097583204 185631493 /nfs/dbraw/zinc/63/14/93/185631493.db2.gz BJMWTGSLQJHEGY-JKSUJKDBSA-N 1 0 272.396 2.470 10 0 CEAERO CCC(CC)([C@H](NN)c1ccc(OC)cc1OC)[NH+](C)C ZINC000097586701 185632082 /nfs/dbraw/zinc/63/20/82/185632082.db2.gz BKLBALPNROAXIJ-OAHLLOKOSA-N 1 0 295.427 2.329 10 0 CEAERO CC[NH2+][C@](C)(CO)C[C@@H](C)Oc1ccc(F)cc1F ZINC000085283049 179000625 /nfs/dbraw/zinc/00/06/25/179000625.db2.gz IVFFXZWFECJDEJ-YGRLFVJLSA-N 1 0 273.323 2.483 10 0 CEAERO CCC[NH2+][C@@H](CO)CCOc1ccc(OCC)cc1 ZINC000085283309 179000720 /nfs/dbraw/zinc/00/07/20/179000720.db2.gz ZUBKQIXXQAKRNF-CYBMUJFWSA-N 1 0 267.369 2.215 10 0 CEAERO C[NH2+][C@H](CO)CCOc1ccccc1C(C)(C)C ZINC000085283304 179000822 /nfs/dbraw/zinc/00/08/22/179000822.db2.gz VFVPGPMYNXIEFG-LBPRGKRZSA-N 1 0 251.370 2.333 10 0 CEAERO C[C@]([NH3+])(CO)CCOc1ccccc1C(F)(F)F ZINC000085282968 179000889 /nfs/dbraw/zinc/00/08/89/179000889.db2.gz UQXFHKAVVWUKHZ-LLVKDONJSA-N 1 0 263.259 2.184 10 0 CEAERO Cc1cccc(C)c1OCC[C@H](CO)[NH2+]C(C)C ZINC000085283214 179000949 /nfs/dbraw/zinc/00/09/49/179000949.db2.gz IEOUXSPNUGIYNF-CQSZACIVSA-N 1 0 251.370 2.431 10 0 CEAERO C[NH2+][C@](C)(CO)CCCOc1cc(C)cc(C)c1 ZINC000085284796 179002629 /nfs/dbraw/zinc/00/26/29/179002629.db2.gz OQWFZQFPFJHDRM-HNNXBMFYSA-N 1 0 251.370 2.433 10 0 CEAERO CCc1ccc(OCC[C@H](CO)[NH2+]C(C)C)cc1 ZINC000085284133 179002155 /nfs/dbraw/zinc/00/21/55/179002155.db2.gz LOKDNAOBMWAIMB-CQSZACIVSA-N 1 0 251.370 2.377 10 0 CEAERO C[NH2+][C@@](C)(CO)C[C@@H](C)Oc1cc(F)ccc1F ZINC000085265759 178995946 /nfs/dbraw/zinc/99/59/46/178995946.db2.gz USOYRNVIXFKSSM-NOZJJQNGSA-N 1 0 259.296 2.093 10 0 CEAERO C[C@]([NH3+])(CO)CCCCOc1cc(F)ccc1F ZINC000085265818 178996249 /nfs/dbraw/zinc/99/62/49/178996249.db2.gz WHGNQQVYNWAGBT-CYBMUJFWSA-N 1 0 259.296 2.224 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)COCCCc1ccccc1 ZINC000085266415 178996485 /nfs/dbraw/zinc/99/64/85/178996485.db2.gz MOQODJKLMMLNIT-MRXNPFEDSA-N 1 0 265.397 2.385 10 0 CEAERO CC(C)[NH2+][C@@](CO)(COc1cccc(F)c1)C1CC1 ZINC000085285516 179003670 /nfs/dbraw/zinc/00/36/70/179003670.db2.gz IREHHJADEUFGAQ-HNNXBMFYSA-N 1 0 267.344 2.344 10 0 CEAERO CCCOc1ccc(OC[C@@H](CO)[NH2+]C(C)C)cc1 ZINC000085286205 179004015 /nfs/dbraw/zinc/00/40/15/179004015.db2.gz CNXYFHCXASXKBV-CYBMUJFWSA-N 1 0 267.369 2.213 10 0 CEAERO CC[C@H]1CCC[C@H](OCC[C@@H](CO)[NH2+]C2CC2)C1 ZINC000085287419 179004822 /nfs/dbraw/zinc/00/48/22/179004822.db2.gz DLQZQSIAZKGWQO-QEJZJMRPSA-N 1 0 255.402 2.475 10 0 CEAERO CC[NH2+][C@@](C)(CO)C[C@@H](C)Sc1nc(C)cc(C)n1 ZINC000085288022 179005060 /nfs/dbraw/zinc/00/50/60/179005060.db2.gz MFDYIYKXHXEUJK-TZMCWYRMSA-N 1 0 283.441 2.325 10 0 CEAERO C[C@]([NH3+])(CO)CCCSc1nc2ccccc2[nH]1 ZINC000085291741 179007003 /nfs/dbraw/zinc/00/70/03/179007003.db2.gz COTWNTIUAFQHBC-CYBMUJFWSA-N 1 0 265.382 2.145 10 0 CEAERO CCC[NH2+][C@@H](CO)CSc1ccc(OC)cc1 ZINC000085291922 179007128 /nfs/dbraw/zinc/00/71/28/179007128.db2.gz HQYYSDAHWMXKGA-NSHDSACASA-N 1 0 255.383 2.148 10 0 CEAERO CC[NH2+][C@@](C)(CO)CSc1cccc(OC)c1 ZINC000085291175 179007299 /nfs/dbraw/zinc/00/72/99/179007299.db2.gz MKNUKTIUZUUXPB-ZDUSSCGKSA-N 1 0 255.383 2.148 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)CCSc1ccccn1 ZINC000085292065 179008054 /nfs/dbraw/zinc/00/80/54/179008054.db2.gz OUBXDHIGPYRSHN-ZDUSSCGKSA-N 1 0 254.399 2.313 10 0 CEAERO CC[NH2+][C@@](C)(CO)C[C@H](C)Sc1nnc(C)s1 ZINC000085297126 179008458 /nfs/dbraw/zinc/00/84/58/179008458.db2.gz RLIZZPJVFLGVOR-GZMMTYOYSA-N 1 0 275.443 2.078 10 0 CEAERO COCCSC[C@@](CO)([NH2+]C(C)C)c1ccccc1 ZINC000085298009 179009120 /nfs/dbraw/zinc/00/91/20/179009120.db2.gz FNYOHKMXWHFGPZ-OAHLLOKOSA-N 1 0 283.437 2.252 10 0 CEAERO COCCSCCCC[C@@](C)(CO)[NH2+]C1CC1 ZINC000085298003 179009264 /nfs/dbraw/zinc/00/92/64/179009264.db2.gz OEYDSJSLDGVHGZ-ZDUSSCGKSA-N 1 0 261.431 2.039 10 0 CEAERO CC[N@H+](C[C@@](O)(CN)c1ccccc1)C1CCCC1 ZINC000085300147 179009756 /nfs/dbraw/zinc/00/97/56/179009756.db2.gz FZDATNZGDSLETO-INIZCTEOSA-N 1 0 262.397 2.097 10 0 CEAERO CCN(CCC[C@](C)(O)C[NH3+])c1ccc(F)cc1 ZINC000085303500 179010847 /nfs/dbraw/zinc/01/08/47/179010847.db2.gz ADOJSQPBYYTTEE-AWEZNQCLSA-N 1 0 254.349 2.142 10 0 CEAERO CCCOc1ccccc1OCCC[C@](C)(O)C[NH3+] ZINC000085306116 179012728 /nfs/dbraw/zinc/01/27/28/179012728.db2.gz JPSUSGAZINOWPC-HNNXBMFYSA-N 1 0 267.369 2.344 10 0 CEAERO C[C@@H](C[NH3+])SCc1nc(-c2cccs2)no1 ZINC000085308600 179013130 /nfs/dbraw/zinc/01/31/30/179013130.db2.gz GTRNWZCKEDPBPW-ZETCQYMHSA-N 1 0 255.368 2.379 10 0 CEAERO [NH3+]C[C@](O)(CSCc1ccco1)c1ccccc1 ZINC000085320482 179014339 /nfs/dbraw/zinc/01/43/39/179014339.db2.gz PHKPOCVTQQKFKX-AWEZNQCLSA-N 1 0 263.362 2.359 10 0 CEAERO COc1cc2nc([C@@H]3CCC[C@H]3[NH3+])[nH]c2cc1OC ZINC000085321819 179015742 /nfs/dbraw/zinc/01/57/42/179015742.db2.gz HSKUYWHJOOPEPZ-RKDXNWHRSA-N 1 0 261.325 2.175 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCc3ccc(F)cc32)C1 ZINC000060558710 362665160 /nfs/dbraw/zinc/66/51/60/362665160.db2.gz UKKJOQZGXGOQJK-CQSZACIVSA-N 1 0 291.370 2.382 10 0 CEAERO COc1cc(-c2noc([C@H]3CCC[C@H]3[NH3+])n2)ccc1O ZINC000085325243 179017990 /nfs/dbraw/zinc/01/79/90/179017990.db2.gz ALRXCXQNXCYMKF-VHSXEESVSA-N 1 0 275.308 2.046 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000085355700 179030448 /nfs/dbraw/zinc/03/04/48/179030448.db2.gz QYMYVOHPMSWPMN-CHWSQXEVSA-N 1 0 290.363 2.304 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1c(F)cccc1F ZINC000085357978 179031125 /nfs/dbraw/zinc/03/11/25/179031125.db2.gz AJUJAHLFZMCUQV-KCJUWKMLSA-N 1 0 254.280 2.421 10 0 CEAERO Cc1ccc(CN(C)C(=O)[C@H]2CCCC[C@@H]2[NH3+])o1 ZINC000085358361 179031301 /nfs/dbraw/zinc/03/13/01/179031301.db2.gz ZZCPECZICKSPKD-STQMWFEESA-N 1 0 250.342 2.064 10 0 CEAERO Cc1ccccc1CN(C)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085358700 179031439 /nfs/dbraw/zinc/03/14/39/179031439.db2.gz LRNQWYLNJIAOKQ-LSDHHAIUSA-N 1 0 260.381 2.471 10 0 CEAERO COCc1ccccc1NC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085360339 179032449 /nfs/dbraw/zinc/03/24/49/179032449.db2.gz FADYQYIUTUTWDV-CHWSQXEVSA-N 1 0 262.353 2.289 10 0 CEAERO C[C@@H](NC(=O)[C@H]1CCCC[C@@H]1[NH3+])c1cccc(O)c1 ZINC000085359761 179032479 /nfs/dbraw/zinc/03/24/79/179032479.db2.gz AGWJXPXNXNHATP-SWHYSGLUSA-N 1 0 262.353 2.087 10 0 CEAERO CC(=O)Nc1ccc(NC(=O)[C@H]2CCC[C@H]2[NH3+])cc1C ZINC000085359893 179032544 /nfs/dbraw/zinc/03/25/44/179032544.db2.gz YAZDGIOUSUUTSV-QWHCGFSZSA-N 1 0 275.352 2.019 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000085361149 179032852 /nfs/dbraw/zinc/03/28/52/179032852.db2.gz JFNIBPBOTQMACB-APPZFPTMSA-N 1 0 282.727 2.135 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000085363165 179034495 /nfs/dbraw/zinc/03/44/95/179034495.db2.gz PXNJXVSUPVODHP-KGLIPLIRSA-N 1 0 282.347 2.210 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000085363093 179034558 /nfs/dbraw/zinc/03/45/58/179034558.db2.gz XTFDDPIOXFFDBQ-STQMWFEESA-N 1 0 270.336 2.143 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1ccc2c[nH]nc2c1 ZINC000085363685 179034577 /nfs/dbraw/zinc/03/45/77/179034577.db2.gz ZNCNEKCVFIPWAM-RYUDHWBXSA-N 1 0 258.325 2.019 10 0 CEAERO COc1ccc([C@@H](C)NC(=O)[C@H]2CCC[C@@H]2[NH3+])cc1F ZINC000085363245 179034886 /nfs/dbraw/zinc/03/48/86/179034886.db2.gz IZDROSFOVRIZAV-CDMKHQONSA-N 1 0 280.343 2.139 10 0 CEAERO CSC1=NC2(CC[NH2+]CC2)N=C1c1ccccc1 ZINC000085346555 179028806 /nfs/dbraw/zinc/02/88/06/179028806.db2.gz YZQPVBVYDTVTOX-UHFFFAOYSA-N 1 0 259.378 2.331 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)Nc1ccc(F)c(F)c1F ZINC000085355901 179030155 /nfs/dbraw/zinc/03/01/55/179030155.db2.gz QVZKYRTXTFUKCJ-SVRRBLITSA-N 1 0 258.243 2.170 10 0 CEAERO COc1cccc([C@H]2CCCN2C(=O)[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000085367640 179037429 /nfs/dbraw/zinc/03/74/29/179037429.db2.gz MBXFVDWAGYFIPA-HRCADAONSA-N 1 0 288.391 2.486 10 0 CEAERO CN(Cc1ccc(F)cc1F)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085367744 179037654 /nfs/dbraw/zinc/03/76/54/179037654.db2.gz WHZKSONOOMCMPX-AAEUAGOBSA-N 1 0 268.307 2.051 10 0 CEAERO Cc1cc(C)cc(OCCN(C)C(=O)[C@H]2CCC[C@H]2[NH3+])c1 ZINC000085367353 179037665 /nfs/dbraw/zinc/03/76/65/179037665.db2.gz HWYHTKMHINXGRQ-JKSUJKDBSA-N 1 0 290.407 2.268 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)N(Cc1cccc(O)c1)C1CC1 ZINC000085369298 179039111 /nfs/dbraw/zinc/03/91/11/179039111.db2.gz FEZWEMUCBCMRSB-HUUCEWRRSA-N 1 0 274.364 2.011 10 0 CEAERO Cc1ccc(OC[C@@H](C)NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000085370564 179040625 /nfs/dbraw/zinc/04/06/25/179040625.db2.gz CVJVBMQFVYGJHO-BMFZPTHFSA-N 1 0 290.407 2.396 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])c1cccc(F)c1 ZINC000085370957 179041065 /nfs/dbraw/zinc/04/10/65/179041065.db2.gz XMKVAGOLHABMEJ-WQAKAFBOSA-N 1 0 250.317 2.130 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)NCc1ccc(OC(F)F)cc1 ZINC000085370902 179041077 /nfs/dbraw/zinc/04/10/77/179041077.db2.gz WHQZJSHZDZDYRJ-VXGBXAGGSA-N 1 0 284.306 2.032 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)NCc1nc2ccccc2s1 ZINC000085370852 179041425 /nfs/dbraw/zinc/04/14/25/179041425.db2.gz PYYBSSIPMLIOFN-MNOVXSKESA-N 1 0 289.404 2.430 10 0 CEAERO COC(=O)c1c(C)c(C)sc1NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085371674 179041864 /nfs/dbraw/zinc/04/18/64/179041864.db2.gz OEBDXUSMADPGBJ-ZJUUUORDSA-N 1 0 296.392 2.217 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)NCc1ccccc1OC(F)F ZINC000085371961 179041889 /nfs/dbraw/zinc/04/18/89/179041889.db2.gz VTVWOQBWCXSGLY-RYUDHWBXSA-N 1 0 298.333 2.422 10 0 CEAERO C[C@@H](Cc1ccsc1)NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085372527 179042480 /nfs/dbraw/zinc/04/24/80/179042480.db2.gz XWWRQRSNWJFAGL-UHTWSYAYSA-N 1 0 266.410 2.313 10 0 CEAERO CN(C(=O)[C@H]1CCCC[C@@H]1[NH3+])c1cccc(F)c1 ZINC000085373591 179042835 /nfs/dbraw/zinc/04/28/35/179042835.db2.gz UEWYELPRJKGJOC-STQMWFEESA-N 1 0 250.317 2.306 10 0 CEAERO C[C@@H](NC(=O)[C@H]1CCCC[C@@H]1[NH3+])c1ccsc1 ZINC000085374466 179043554 /nfs/dbraw/zinc/04/35/54/179043554.db2.gz ONDBIEYDLFASTL-USWWRNFRSA-N 1 0 252.383 2.443 10 0 CEAERO Cc1ccc(C[C@@H](C)NC(=O)[C@H]2CCC[C@@H]2[NH3+])s1 ZINC000085376266 179044705 /nfs/dbraw/zinc/04/47/05/179044705.db2.gz YUEWHWVTDSWBIL-ICCXJUOJSA-N 1 0 266.410 2.231 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)C3CC3)CC2)C1(C)C ZINC000085384795 179046683 /nfs/dbraw/zinc/04/66/83/179046683.db2.gz DZPHSTPXFZBAHH-CABCVRRESA-N 1 0 294.439 2.181 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000085366120 179036367 /nfs/dbraw/zinc/03/63/67/179036367.db2.gz AUSBKTDKSJQUIS-JSGCOSHPSA-N 1 0 291.370 2.492 10 0 CEAERO CC(C)CO[C@H]1C[C@@H]([NH2+]C[C@@H](C)N(C)C)C1(C)C ZINC000085400916 179051900 /nfs/dbraw/zinc/05/19/00/179051900.db2.gz LANUKEKUNJTXAB-MCIONIFRSA-N 1 0 256.434 2.366 10 0 CEAERO CC[NH2+]C[C@H]1CCCN(c2ncc(Br)cn2)C1 ZINC000111751433 136532435 /nfs/dbraw/zinc/53/24/35/136532435.db2.gz DXRQTTPLWFRULX-SNVBAGLBSA-N 1 0 299.216 2.065 10 0 CEAERO Clc1ccc(Cc2noc([C@@H]3CC[NH2+]C3)n2)cc1 ZINC000062119524 362709801 /nfs/dbraw/zinc/70/98/01/362709801.db2.gz PLCBQXMPFUUHFX-SNVBAGLBSA-N 1 0 263.728 2.391 10 0 CEAERO CC[NH2+][C@H](Cc1cc(F)ccc1C)[C@H]1COCCO1 ZINC000097859104 185673033 /nfs/dbraw/zinc/67/30/33/185673033.db2.gz WXYOVNFGTPLJSL-HUUCEWRRSA-N 1 0 267.344 2.070 10 0 CEAERO CC[C@@]1(C)CN(Cc2ccc(OC)c(F)c2)CC[NH2+]1 ZINC000085435222 179061796 /nfs/dbraw/zinc/06/17/96/179061796.db2.gz FEHNQTIWQJMQRC-HNNXBMFYSA-N 1 0 266.360 2.408 10 0 CEAERO CC(C)CCOCCN1CC[NH2+]C2(CCCC2)C1 ZINC000085435309 179062097 /nfs/dbraw/zinc/06/20/97/179062097.db2.gz KDNGXJDBNDGHFL-UHFFFAOYSA-N 1 0 254.418 2.267 10 0 CEAERO CC(C)[C@@H]1CN(Cc2ccncc2)[C@H](C2CC2)C[NH2+]1 ZINC000085467184 179072372 /nfs/dbraw/zinc/07/23/72/179072372.db2.gz WRHCBGXSKQZZHX-HOTGVXAUSA-N 1 0 259.397 2.290 10 0 CEAERO CC(C)[C@H]1CN(C[C@@H]2CCCO2)C2(CCCC2)C[NH2+]1 ZINC000085468373 179073451 /nfs/dbraw/zinc/07/34/51/179073451.db2.gz WUVYAHZCJZKNIU-LSDHHAIUSA-N 1 0 266.429 2.408 10 0 CEAERO CCOCCN1C[C@H](C(C)C)[NH2+]CC12CCCC2 ZINC000085468298 179073537 /nfs/dbraw/zinc/07/35/37/179073537.db2.gz MHRYBSLFZNTZTK-CQSZACIVSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@@H](C)n1ccc(CN2CC(C)(C)[NH2+]C[C@@H]2C)n1 ZINC000085468893 179074194 /nfs/dbraw/zinc/07/41/94/179074194.db2.gz NISYFIQTMMDWGF-OLZOCXBDSA-N 1 0 264.417 2.426 10 0 CEAERO CC[C@H](C)[C@@H]1C[NH2+]CCN1Cc1ccn(C(C)C)n1 ZINC000085452867 179065825 /nfs/dbraw/zinc/06/58/25/179065825.db2.gz CXRPMBUJAPVVNG-ZFWWWQNUSA-N 1 0 264.417 2.284 10 0 CEAERO C[C@@]1(C2CC2)C[NH2+]CCN1CCc1cccs1 ZINC000085452511 179065924 /nfs/dbraw/zinc/06/59/24/179065924.db2.gz PORJHHXRJVOPSH-AWEZNQCLSA-N 1 0 250.411 2.365 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C)CN1Cc1ccc(OC)c(F)c1 ZINC000085453351 179067201 /nfs/dbraw/zinc/06/72/01/179067201.db2.gz ARYQQXHBDHJLFM-YPMHNXCESA-N 1 0 266.360 2.407 10 0 CEAERO CC[C@]1(C)C[NH2+][C@H](C)CN1CCOCC(F)(F)F ZINC000085454102 179067414 /nfs/dbraw/zinc/06/74/14/179067414.db2.gz SAOJNQRMIXQNCA-GHMZBOCLSA-N 1 0 268.323 2.028 10 0 CEAERO CCC[C@@H]1CN(C[C@@H]2CCCO2)[C@H](C2CC2)C[NH2+]1 ZINC000085455320 179068120 /nfs/dbraw/zinc/06/81/20/179068120.db2.gz IFXOPSCZOYXZBI-ILXRZTDVSA-N 1 0 252.402 2.018 10 0 CEAERO COCCN1CC(C)(C)[NH2+]C[C@@]1(C)c1ccccc1 ZINC000085471680 179077236 /nfs/dbraw/zinc/07/72/36/179077236.db2.gz CBNNLQCFARPSJL-INIZCTEOSA-N 1 0 262.397 2.232 10 0 CEAERO CCC[C@H]1CN[C@H](CC)C[N@@H+]1CCCn1ccnc1 ZINC000085472541 179077513 /nfs/dbraw/zinc/07/75/13/179077513.db2.gz IJORBALVNYMIQS-CABCVRRESA-N 1 0 264.417 2.126 10 0 CEAERO CC[C@H]1C[N@H+]([C@@H]2CCC[C@H](OC)C2)C(C)(C)CN1 ZINC000085474284 179077735 /nfs/dbraw/zinc/07/77/35/179077735.db2.gz AUDQRAZZLTYPCS-MJBXVCDLSA-N 1 0 254.418 2.406 10 0 CEAERO CC[C@@H]1CN(Cc2cnn(C)c2)[C@H](C(C)(C)C)C[NH2+]1 ZINC000085473810 179077920 /nfs/dbraw/zinc/07/79/20/179077920.db2.gz JSKLFINMCIDWTN-KGLIPLIRSA-N 1 0 264.417 2.019 10 0 CEAERO CC[C@@H]1CN(Cc2ncccn2)C(CC)(CC)C[NH2+]1 ZINC000085474659 179079207 /nfs/dbraw/zinc/07/92/07/179079207.db2.gz PHMVKJWHYVLAID-CYBMUJFWSA-N 1 0 262.401 2.219 10 0 CEAERO CCCCc1ccc(CNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000098160110 185694243 /nfs/dbraw/zinc/69/42/43/185694243.db2.gz XXUZRHMOECIWNZ-HNNXBMFYSA-N 1 0 260.381 2.397 10 0 CEAERO [NH3+][C@H](C[C@@H](O)C(=O)OCc1ccccc1)c1ccccc1 ZINC000085484796 179080593 /nfs/dbraw/zinc/08/05/93/179080593.db2.gz WHVXRUXLNLPXOI-HZPDHXFCSA-N 1 0 285.343 2.181 10 0 CEAERO CC[C@]1(C)C[NH2+][C@@H](CC(C)C)CN1[C@@H]1CCOC1 ZINC000085488709 179080957 /nfs/dbraw/zinc/08/09/57/179080957.db2.gz DEIAIKRHJKHXHP-RRFJBIMHSA-N 1 0 254.418 2.264 10 0 CEAERO CC(C)C[C@H]1CN([C@@H]2CCOC2)[C@H](C(C)C)C[NH2+]1 ZINC000085487766 179081110 /nfs/dbraw/zinc/08/11/10/179081110.db2.gz MSQRBJUXLZYGOE-ZNMIVQPWSA-N 1 0 254.418 2.120 10 0 CEAERO CC1(C)C[N@H+]([C@@H]2CCOC2)C2(CCCCC2)CN1 ZINC000085471507 179076008 /nfs/dbraw/zinc/07/60/08/179076008.db2.gz IWKUFVBNVUJJBS-CYBMUJFWSA-N 1 0 252.402 2.162 10 0 CEAERO CC1(C)CN(Cc2ccccn2)[C@](C)(C2CC2)C[NH2+]1 ZINC000085471596 179076175 /nfs/dbraw/zinc/07/61/75/179076175.db2.gz FLCLSTHNCWQRDG-INIZCTEOSA-N 1 0 259.397 2.434 10 0 CEAERO CC1(C)C[N@H+](C[C@@H]2CCCCO2)[C@@H](C2CC2)CN1 ZINC000085470632 179076181 /nfs/dbraw/zinc/07/61/81/179076181.db2.gz YDLQKRMJMJVZQQ-UONOGXRCSA-N 1 0 252.402 2.018 10 0 CEAERO CCC[C@@H]1CN[C@@](C)(CC)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085495061 179082150 /nfs/dbraw/zinc/08/21/50/179082150.db2.gz IQMPHDQJCHSUSE-ILXRZTDVSA-N 1 0 254.418 2.408 10 0 CEAERO COCCC[N@@H+]1CC2(CCCCC2)NC[C@H]1C1CC1 ZINC000085503193 179084853 /nfs/dbraw/zinc/08/48/53/179084853.db2.gz RCEGRBFNBNCWES-HNNXBMFYSA-N 1 0 266.429 2.410 10 0 CEAERO CCn1cc(CN2C[C@H](c3ccccc3)[NH2+]C[C@@H]2C)cn1 ZINC000085504693 179084996 /nfs/dbraw/zinc/08/49/96/179084996.db2.gz DHMYLFVFQNJLHS-WMLDXEAASA-N 1 0 284.407 2.438 10 0 CEAERO Cc1nccn1CCN1C[C@](C)(C2CC2)[NH2+]CC1(C)C ZINC000085514533 179086154 /nfs/dbraw/zinc/08/61/54/179086154.db2.gz QOUXLSYCZAUTQJ-MRXNPFEDSA-N 1 0 276.428 2.044 10 0 CEAERO Cc1nccn1CC[N@H+]1C[C@](C)(C2CC2)NC[C@@H]1C(C)C ZINC000085512245 179086393 /nfs/dbraw/zinc/08/63/93/179086393.db2.gz XFPXDTQBEYQMNK-IAGOWNOFSA-N 1 0 290.455 2.290 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@@](C)(C2CC2)CN1Cc1cnn(C)c1 ZINC000085515417 179086551 /nfs/dbraw/zinc/08/65/51/179086551.db2.gz LNDQIVGKPNEZOH-JKSUJKDBSA-N 1 0 276.428 2.163 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C2CC2)CN1CCC(F)(F)F ZINC000085522497 179088656 /nfs/dbraw/zinc/08/86/56/179088656.db2.gz ZGHGIOMKJNVJON-WDEREUQCSA-N 1 0 250.308 2.401 10 0 CEAERO CC(C)C[C@@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1ncccn1 ZINC000085513198 179086844 /nfs/dbraw/zinc/08/68/44/179086844.db2.gz AHEPWHNDYYVDKN-WBVHZDCISA-N 1 0 288.439 2.465 10 0 CEAERO CCOCC[N@@H+]1C[C@](C)(C2CC2)NC[C@@]1(C)C1CC1 ZINC000085516081 179087276 /nfs/dbraw/zinc/08/72/76/179087276.db2.gz KVLWIRIZBXELRU-CVEARBPZSA-N 1 0 266.429 2.266 10 0 CEAERO COCCC[N@@H+]1C[C@@](C)(C2CC2)NC[C@@]1(C)C1CC1 ZINC000085516097 179087518 /nfs/dbraw/zinc/08/75/18/179087518.db2.gz WTYXYDOPEOFJBF-HOTGVXAUSA-N 1 0 266.429 2.266 10 0 CEAERO CC[C@@H]1C[NH2+]C(CC)(CC)CN1C[C@@H]1CCCO1 ZINC000085517316 179087975 /nfs/dbraw/zinc/08/79/75/179087975.db2.gz IGLSHYXJXDVSDK-KGLIPLIRSA-N 1 0 254.418 2.408 10 0 CEAERO CC(C)OCCN1C[C@@H](C2CC2)[NH2+]C[C@@H]1C(C)C ZINC000085524018 179088385 /nfs/dbraw/zinc/08/83/85/179088385.db2.gz FHGFROYYFMXRFM-LSDHHAIUSA-N 1 0 254.418 2.120 10 0 CEAERO COc1ccc(CN2C[C@H](C3CC3)[NH2+]C[C@@H]2C)cc1 ZINC000085521857 179088489 /nfs/dbraw/zinc/08/84/89/179088489.db2.gz IWJPVSMHVHNBGG-BLLLJJGKSA-N 1 0 260.381 2.268 10 0 CEAERO CC(C)OCCN1CC2(CCCCC2)[NH2+]C[C@H]1C ZINC000085498808 179083826 /nfs/dbraw/zinc/08/38/26/179083826.db2.gz ZHGJZTWUHYRDKI-CQSZACIVSA-N 1 0 254.418 2.408 10 0 CEAERO CC[C@H]1CN[C@H](C2CC2)C[N@@H+]1[C@@H]1CCC[C@H](OC)C1 ZINC000085522715 179088979 /nfs/dbraw/zinc/08/89/79/179088979.db2.gz RVMNIRVARGRZGM-FZKCQIBNSA-N 1 0 266.429 2.406 10 0 CEAERO c1ccc([C@@H]2C[NH2+][C@H](C3CC3)CN2[C@@H]2CCOC2)cc1 ZINC000085527230 179089680 /nfs/dbraw/zinc/08/96/80/179089680.db2.gz URPFWGDRFTYMBT-IKGGRYGDSA-N 1 0 272.392 2.200 10 0 CEAERO CC(C)n1ccc(CN2C[C@H](C3CC3)[NH2+]C[C@@H]2C2CC2)n1 ZINC000085526428 179089710 /nfs/dbraw/zinc/08/97/10/179089710.db2.gz ZWHCPDIUYVFROF-IAGOWNOFSA-N 1 0 288.439 2.426 10 0 CEAERO CCC1(CC)C[NH2+][C@@H](C2CC2)CN1Cc1ncccn1 ZINC000085528827 179090734 /nfs/dbraw/zinc/09/07/34/179090734.db2.gz AOMHHVVJFUVHGG-CQSZACIVSA-N 1 0 274.412 2.219 10 0 CEAERO COCCC[N@@H+]1C[C@@H](C2CC2)NCC12CCCC2 ZINC000085529001 179090855 /nfs/dbraw/zinc/09/08/55/179090855.db2.gz IFLUMXDICTXIEU-AWEZNQCLSA-N 1 0 252.402 2.020 10 0 CEAERO C[C@@H]([C@@H]1CCCO1)n1c2c(nc1C(F)(F)F)C[NH2+]CC2 ZINC000085570166 179096265 /nfs/dbraw/zinc/09/62/65/179096265.db2.gz KTNWPLVVGCEUNL-KWQFWETISA-N 1 0 289.301 2.288 10 0 CEAERO CCCc1nc2c(n1[C@H]1CCC[C@H]1OC)CC[NH2+]C2 ZINC000085570841 179096343 /nfs/dbraw/zinc/09/63/43/179096343.db2.gz IGSOHBIKKDXZQA-UONOGXRCSA-N 1 0 263.385 2.221 10 0 CEAERO Cc1cc2ccccc2nc1NCCCN1CC[NH2+]CC1 ZINC000063106286 362749992 /nfs/dbraw/zinc/74/99/92/362749992.db2.gz WZNOAFCKCRLMFZ-UHFFFAOYSA-N 1 0 284.407 2.250 10 0 CEAERO c1cc(N2CCCC2)ncc1N[C@H]1CCC[NH2+]CC1 ZINC000129004305 365817426 /nfs/dbraw/zinc/81/74/26/365817426.db2.gz UGGRQMYYEJJGTM-ZDUSSCGKSA-N 1 0 260.385 2.236 10 0 CEAERO c1cn(CCC[N@@H+]2CCCN[C@@H](c3ccccc3)C2)cn1 ZINC000085610671 179102812 /nfs/dbraw/zinc/10/28/12/179102812.db2.gz HPTRBYJQZONBQE-QGZVFWFLSA-N 1 0 284.407 2.310 10 0 CEAERO c1ccc([C@H]2C[N@H+](C[C@@H]3CCOC3)CCCN2)cc1 ZINC000085610950 179103082 /nfs/dbraw/zinc/10/30/82/179103082.db2.gz MKELDASGYDQSST-GOEBONIOSA-N 1 0 260.381 2.060 10 0 CEAERO CC(C)C[C@H]1CN(CCOCC(F)(F)F)CCC[NH2+]1 ZINC000085611143 179103319 /nfs/dbraw/zinc/10/33/19/179103319.db2.gz NLQCFDXHKOJGPK-LBPRGKRZSA-N 1 0 282.350 2.275 10 0 CEAERO CN(C)C(C)(C)C[NH2+][C@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000085671143 179111199 /nfs/dbraw/zinc/11/11/99/179111199.db2.gz OWBGVOAHYLTHLZ-AGIUHOORSA-N 1 0 254.418 2.120 10 0 CEAERO CC(C)C[C@@H]([NH2+][C@H]1[C@@H]2CCCO[C@@H]2C1(C)C)C(=O)N(C)C ZINC000085672515 179111670 /nfs/dbraw/zinc/11/16/70/179111670.db2.gz YAJWNYYOJVXVGO-XGUBFFRZSA-N 1 0 296.455 2.283 10 0 CEAERO C[C@@H]([NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)C(=O)N1CCCCC1 ZINC000085674786 179112017 /nfs/dbraw/zinc/11/20/17/179112017.db2.gz NUMXMOFVNXPASS-BARDWOONSA-N 1 0 294.439 2.181 10 0 CEAERO COc1ncccc1C[NH2+][C@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000085674291 179112070 /nfs/dbraw/zinc/11/20/70/179112070.db2.gz NCLAUMPTKOPJLE-RDBSUJKOSA-N 1 0 276.380 2.383 10 0 CEAERO CCO[C@H]1C[C@H]([NH2+]CCc2nccn2C)C12CCCC2 ZINC000085680385 179113420 /nfs/dbraw/zinc/11/34/20/179113420.db2.gz KHGXWYPJDMTMNE-KBPBESRZSA-N 1 0 277.412 2.290 10 0 CEAERO CC[C@@]1(C(=O)N2CCN(C)c3ccccc32)CCC[NH2+]C1 ZINC000111462948 136562125 /nfs/dbraw/zinc/56/21/25/136562125.db2.gz LDCMFZJNCWTVED-QGZVFWFLSA-N 1 0 287.407 2.249 10 0 CEAERO Cc1cccc(N2CCN(c3cc(C[NH3+])ccn3)CC2)c1 ZINC000019264981 136576380 /nfs/dbraw/zinc/57/63/80/136576380.db2.gz MPZJSWGECXXRQM-UHFFFAOYSA-N 1 0 282.391 2.175 10 0 CEAERO CCOc1ccc(OCC)c(N2CCC([NH3+])CC2)c1 ZINC000019489047 136577631 /nfs/dbraw/zinc/57/76/31/136577631.db2.gz SOGYQTZZVAJYLP-UHFFFAOYSA-N 1 0 264.369 2.412 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000236900930 370649099 /nfs/dbraw/zinc/64/90/99/370649099.db2.gz HNFYJEWUCFKUTO-UONOGXRCSA-N 1 0 268.401 2.064 10 0 CEAERO CC1(CNc2ncnc3ccsc32)CC[NH2+]CC1 ZINC000129431472 365856850 /nfs/dbraw/zinc/85/68/50/365856850.db2.gz HDEQZBIPGQWWMY-UHFFFAOYSA-N 1 0 262.382 2.493 10 0 CEAERO Fc1cc(C[NH2+]CCc2nnc[nH]2)cc(C(F)(F)F)c1 ZINC000129468337 365862819 /nfs/dbraw/zinc/86/28/19/365862819.db2.gz SXNOBNYGVHFQKL-UHFFFAOYSA-N 1 0 288.248 2.295 10 0 CEAERO CCc1ncsc1C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000129604185 365877485 /nfs/dbraw/zinc/87/74/85/365877485.db2.gz NVEVSNYYTJPVQP-LLVKDONJSA-N 1 0 283.441 2.412 10 0 CEAERO C[C@H](C[NH3+])[C@](C)(O)c1cccc(Br)c1 ZINC000085899434 179196237 /nfs/dbraw/zinc/19/62/37/179196237.db2.gz OKJBQZIZRGQIMH-KCJUWKMLSA-N 1 0 258.159 2.251 10 0 CEAERO COc1ccc(C(=O)NC[C@H]2CCCC[C@@H]2[NH3+])cc1F ZINC000085964783 179205381 /nfs/dbraw/zinc/20/53/81/179205381.db2.gz DQUKRTBTNJUNOI-YPMHNXCESA-N 1 0 280.343 2.082 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1CNC(=O)c1cc(F)ccc1F ZINC000085964655 179205435 /nfs/dbraw/zinc/20/54/35/179205435.db2.gz JJASQQXLBWEUMB-RNCFNFMXSA-N 1 0 268.307 2.212 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1CNC(=O)c1ccc(F)c(F)c1 ZINC000085966737 179205956 /nfs/dbraw/zinc/20/59/56/179205956.db2.gz NXTVKJXDHOACLK-MFKMUULPSA-N 1 0 268.307 2.212 10 0 CEAERO COc1ccccc1NC(=O)NC[C@@H]1CCCC[C@H]1[NH3+] ZINC000085970396 179206425 /nfs/dbraw/zinc/20/64/25/179206425.db2.gz AVNIROAHBBFIBX-NWDGAFQWSA-N 1 0 277.368 2.334 10 0 CEAERO Cc1ccc(S(=O)(=O)NC[C@@H]2CCCC[C@H]2[NH3+])cc1C ZINC000085971629 179206547 /nfs/dbraw/zinc/20/65/47/179206547.db2.gz WRVZKDHMCMQNMI-DZGCQCFKSA-N 1 0 296.436 2.099 10 0 CEAERO COc1nc2sccn2c1C[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000085973268 179207410 /nfs/dbraw/zinc/20/74/10/179207410.db2.gz CJQGHEJOOHPFDM-PWSUYJOCSA-N 1 0 295.408 2.045 10 0 CEAERO CC(C)Oc1cncc(NC[C@@H]2CCCC[C@@H]2[NH3+])n1 ZINC000085975021 179207746 /nfs/dbraw/zinc/20/77/46/179207746.db2.gz AFVQITRGFGXTDW-RYUDHWBXSA-N 1 0 264.373 2.193 10 0 CEAERO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc(NC(N)=O)cc1 ZINC000085978071 179208649 /nfs/dbraw/zinc/20/86/49/179208649.db2.gz GQRCLVFTILEREO-LNSITVRQSA-N 1 0 291.395 2.379 10 0 CEAERO CCC[NH2+][C@@H](CCO)C[S@](=O)c1ccc(C)cc1C ZINC000085926660 179201909 /nfs/dbraw/zinc/20/19/09/179201909.db2.gz GFYZKQBJQSZKSU-IFXJQAMLSA-N 1 0 283.437 2.162 10 0 CEAERO CCCc1ccc([C@H]([NH2+]C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000086020560 179217783 /nfs/dbraw/zinc/21/77/83/179217783.db2.gz VIDCAWFXIZBAIH-CABCVRRESA-N 1 0 281.421 2.334 10 0 CEAERO O[C@@H](C[NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccc(F)c(F)c1 ZINC000085987963 179213115 /nfs/dbraw/zinc/21/31/15/179213115.db2.gz LTTHPOQOMRHLJO-CQDKDKBSSA-N 1 0 285.334 2.139 10 0 CEAERO Cc1ccccc1CS(=O)(=O)[C@@H]1CC[C@@H]([NH3+])[C@@H]1C ZINC000086041872 179222416 /nfs/dbraw/zinc/22/24/16/179222416.db2.gz HQIBCZAPFMQDHA-IACUBPJLSA-N 1 0 267.394 2.036 10 0 CEAERO CC[NH2+][C@H]1CC[C@H](Sc2nnc(N(C)C)s2)[C@@H]1C ZINC000086043700 179222729 /nfs/dbraw/zinc/22/27/29/179222729.db2.gz XGGBAHXZZTUIRP-UTLUCORTSA-N 1 0 286.470 2.473 10 0 CEAERO CC[NH2+][C@@H]1CC[C@H](Sc2nccc(=O)[nH]2)[C@@H]1C ZINC000086043752 179222947 /nfs/dbraw/zinc/22/29/47/179222947.db2.gz QZNJDBQKGIGNEV-BBBLOLIVSA-N 1 0 253.371 2.051 10 0 CEAERO CCC[NH2+][C@H]1CC[C@H](Sc2nnc(C)n2C)[C@@H]1C ZINC000086045961 179223050 /nfs/dbraw/zinc/22/30/50/179223050.db2.gz HNYWJRZZUJNPNF-USWWRNFRSA-N 1 0 268.430 2.382 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)Nc1ccccc1Br ZINC000086064923 179223673 /nfs/dbraw/zinc/22/36/73/179223673.db2.gz ZGZNIXLZISSQQO-MRVPVSSYSA-N 1 0 271.158 2.243 10 0 CEAERO C[C@@H]1CC[C@@H]([NH2+]Cc2cnc(N(C)C)n2C)[C@@H]1C ZINC000086073614 179224937 /nfs/dbraw/zinc/22/49/37/179224937.db2.gz VRDNWMCIPCIXQZ-NQBHXWOUSA-N 1 0 250.390 2.010 10 0 CEAERO C[C@@H]1[C@@H](C)CC[C@@H]1NC(=O)C1(C[NH3+])CCCCC1 ZINC000086073954 179224996 /nfs/dbraw/zinc/22/49/96/179224996.db2.gz VLILXICSWJJTCE-XQQFMLRXSA-N 1 0 252.402 2.446 10 0 CEAERO C[C@H]1[C@H](NC(=O)c2ccc(CC[NH3+])cc2)CC[C@@H]1C ZINC000086075543 179225625 /nfs/dbraw/zinc/22/56/25/179225625.db2.gz DCBNRPQUWCYBGF-YWPYICTPSA-N 1 0 260.381 2.352 10 0 CEAERO CCc1ccc([C@@H]([NH2+]C)[C@@H]2CCS(=O)(=O)C2)s1 ZINC000086020338 179217969 /nfs/dbraw/zinc/21/79/69/179217969.db2.gz YZHFNFZCKRBEKH-SKDRFNHKSA-N 1 0 273.423 2.006 10 0 CEAERO CCC[NH2+][C@H](c1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000086021541 179218613 /nfs/dbraw/zinc/21/86/13/179218613.db2.gz VWLBNJVBYAQPQS-PWSUYJOCSA-N 1 0 273.423 2.224 10 0 CEAERO CC[NH2+][C@@H](c1cc(C)sc1C)[C@H]1CCS(=O)(=O)C1 ZINC000086021222 179218955 /nfs/dbraw/zinc/21/89/55/179218955.db2.gz QAPJYSRNYVXPEH-WCQYABFASA-N 1 0 287.450 2.450 10 0 CEAERO COc1ccc(Cl)cc1C1(C[NH3+])CC(OC)(OC)C1 ZINC000086035280 179221796 /nfs/dbraw/zinc/22/17/96/179221796.db2.gz LTZVIAOZFIISEC-UHFFFAOYSA-N 1 0 285.771 2.328 10 0 CEAERO CC[C@H](C)N1C(=O)C[C@H]([NH2+]C2CCCCCC2)C1=O ZINC000102671057 185786089 /nfs/dbraw/zinc/78/60/89/185786089.db2.gz TUTGHFGUPLWNAF-AAEUAGOBSA-N 1 0 266.385 2.225 10 0 CEAERO CC[C@H]1CC[C@H]([NH2+]CC(=O)NCC(F)(F)F)[C@@H]1C ZINC000086095687 179229726 /nfs/dbraw/zinc/22/97/26/179229726.db2.gz LXHRTGGCFYHCIC-UTLUCORTSA-N 1 0 266.307 2.079 10 0 CEAERO C[C@@H]([NH2+]CC(=O)N1CCCC1)c1ccc(F)c(F)c1 ZINC000102687691 185787658 /nfs/dbraw/zinc/78/76/58/185787658.db2.gz VZYZHXNFJVJFDB-SNVBAGLBSA-N 1 0 268.307 2.238 10 0 CEAERO CCC[C@@H]1CN(CCOc2cccc(C)c2)CC[NH2+]1 ZINC000086145322 179237595 /nfs/dbraw/zinc/23/75/95/179237595.db2.gz SVODXMKRGOIONG-OAHLLOKOSA-N 1 0 262.397 2.448 10 0 CEAERO Cc1ncc(CN2CC[NH2+][C@](C)(C3CC3)C2)s1 ZINC000086144145 179237807 /nfs/dbraw/zinc/23/78/07/179237807.db2.gz ZVPHUIRHRYLDOG-ZDUSSCGKSA-N 1 0 251.399 2.025 10 0 CEAERO CC[C@@H]1CC[C@H](NC(=O)COc2ccc(C[NH3+])cc2)[C@@H]1C ZINC000086082846 179228140 /nfs/dbraw/zinc/22/81/40/179228140.db2.gz CVJCNOFCZVZZLR-XPKDYRNWSA-N 1 0 290.407 2.465 10 0 CEAERO CC[C@@H]1CC[C@H](NS(=O)(=O)c2cccc(C[NH3+])c2)[C@@H]1C ZINC000086091575 179228796 /nfs/dbraw/zinc/22/87/96/179228796.db2.gz OYNPTOYOMCRTSJ-KYOSRNDESA-N 1 0 296.436 2.248 10 0 CEAERO CC[C@H]1CC[C@H](NC(=O)[C@@H]2CC23CC[NH2+]CC3)[C@@H]1C ZINC000086094483 179228828 /nfs/dbraw/zinc/22/88/28/179228828.db2.gz WTLMSSSSXSYCQA-RFGFWPKPSA-N 1 0 264.413 2.317 10 0 CEAERO c1csc(CCN2CC[NH2+][C@H](Cc3ccccc3)C2)n1 ZINC000086148912 179240050 /nfs/dbraw/zinc/24/00/50/179240050.db2.gz QHFQQZWXBZBWCL-OAHLLOKOSA-N 1 0 287.432 2.202 10 0 CEAERO c1nc(CN2CC[NH2+][C@@H](Cc3ccccc3)C2)cs1 ZINC000086149439 179240375 /nfs/dbraw/zinc/24/03/75/179240375.db2.gz KPYZNNKJLNTQRL-AWEZNQCLSA-N 1 0 273.405 2.160 10 0 CEAERO CCC1(CC)CN(CCc2cscn2)CC[NH2+]1 ZINC000086149469 179240552 /nfs/dbraw/zinc/24/05/52/179240552.db2.gz IARHWRXWZZKEGA-UHFFFAOYSA-N 1 0 253.415 2.150 10 0 CEAERO C[C@@]1(C2CC2)CN(CCOC2CCCCC2)CC[NH2+]1 ZINC000086149556 179240644 /nfs/dbraw/zinc/24/06/44/179240644.db2.gz ANCXVPOISAWJBX-INIZCTEOSA-N 1 0 266.429 2.410 10 0 CEAERO CC[C@H](C)[C@@H]1C[N@@H+](C2CCOCC2)[C@@H](CC)CN1 ZINC000086154429 179241543 /nfs/dbraw/zinc/24/15/43/179241543.db2.gz QANHMRTVSDDYHF-YDHLFZDLSA-N 1 0 254.418 2.264 10 0 CEAERO CC(C)[C@@H]1CN[C@@H](C(C)C)C[N@@H+]1C[C@@H]1CCCOC1 ZINC000086174005 179243966 /nfs/dbraw/zinc/24/39/66/179243966.db2.gz WDYXSBINXFNQIK-XHSDSOJGSA-N 1 0 268.445 2.367 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C(C)C)CN1Cc1nccs1 ZINC000086173021 179244185 /nfs/dbraw/zinc/24/41/85/179244185.db2.gz IBONXJFEHOTEAJ-NEPJUHHUSA-N 1 0 253.415 2.352 10 0 CEAERO C[C@H]1CN[C@H](Cc2ccccc2)C[N@@H+]1C[C@@H]1CCCOC1 ZINC000086174000 179244475 /nfs/dbraw/zinc/24/44/75/179244475.db2.gz TZMAPDSSSPHANL-RYQLBKOJSA-N 1 0 288.435 2.318 10 0 CEAERO CCn1cc(N2CC[NH2+]C[C@@H]2c2ccccc2)cn1 ZINC000086177088 179246519 /nfs/dbraw/zinc/24/65/19/179246519.db2.gz VBSYDDFCYPTLFL-OAHLLOKOSA-N 1 0 256.353 2.054 10 0 CEAERO COC[C@H](C)N1C[C@@H](C2CCCCC2)[NH2+]C[C@@H]1C ZINC000086179948 179246707 /nfs/dbraw/zinc/24/67/07/179246707.db2.gz QEOJMUGPTIAGNS-YDHLFZDLSA-N 1 0 254.418 2.264 10 0 CEAERO CC[C@H]1CN([C@@H](C)COC)[C@H](c2ccccc2)C[NH2+]1 ZINC000086180059 179247113 /nfs/dbraw/zinc/24/71/13/179247113.db2.gz SGEXSGYYQHXGDN-BPUTZDHNSA-N 1 0 262.397 2.446 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(Cc2ccc3c(c2)OCO3)CC[NH2+]1 ZINC000086148216 179239438 /nfs/dbraw/zinc/23/94/38/179239438.db2.gz GZTZLJFPHHUVNZ-OCCSQVGLSA-N 1 0 276.380 2.235 10 0 CEAERO Cc1cnc(CN2CC[NH2+][C@@](C)(c3ccccc3)C2)cn1 ZINC000086147987 179239580 /nfs/dbraw/zinc/23/95/80/179239580.db2.gz NAAGYFOVQONFCK-QGZVFWFLSA-N 1 0 282.391 2.106 10 0 CEAERO CC[C@@H](C)[C@H]1CN(Cc2scnc2C)CC[NH2+]1 ZINC000086149024 179239749 /nfs/dbraw/zinc/23/97/49/179239749.db2.gz LFPIALJXXNUOEU-ZYHUDNBSSA-N 1 0 253.415 2.271 10 0 CEAERO CO[C@H]1CCC[C@H]1[N@@H+]1CCN[C@H](c2ccccc2)C1 ZINC000086146854 179239770 /nfs/dbraw/zinc/23/97/70/179239770.db2.gz KYVYUFLFMLPJPB-XHSDSOJGSA-N 1 0 260.381 2.200 10 0 CEAERO CCn1cc(N2C[C@H](c3ccccc3)[NH2+]C[C@@H]2C)cn1 ZINC000086218498 179249322 /nfs/dbraw/zinc/24/93/22/179249322.db2.gz VGIVASZNDOWMLB-XJKSGUPXSA-N 1 0 270.380 2.442 10 0 CEAERO Cc1csc(CN2C[C@@H](C3CC3)[NH2+]C[C@@H]2C)n1 ZINC000086227079 179253171 /nfs/dbraw/zinc/25/31/71/179253171.db2.gz BHWUONSBWDHRNS-JQWIXIFHSA-N 1 0 251.399 2.024 10 0 CEAERO CC[C@H]1C[NH2+]C(C)(C)CN1Cc1nc(C)cs1 ZINC000086227091 179253456 /nfs/dbraw/zinc/25/34/56/179253456.db2.gz DHCXMPUTAKZSDG-NSHDSACASA-N 1 0 253.415 2.414 10 0 CEAERO C[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1Cc1nccs1 ZINC000086226893 179253884 /nfs/dbraw/zinc/25/38/84/179253884.db2.gz NIHDAYSSEBHISE-WDEREUQCSA-N 1 0 253.415 2.352 10 0 CEAERO Cc1nccc(CN2C[C@](C)(C3CC3)[NH2+]C[C@@H]2C(C)C)n1 ZINC000086260190 179259038 /nfs/dbraw/zinc/25/90/38/179259038.db2.gz XLWGSGFMTZHDJC-IAGOWNOFSA-N 1 0 288.439 2.384 10 0 CEAERO Cc1noc(CN2C[C@@H](C(C)(C)C)[NH2+]C[C@@H]2C(C)C)n1 ZINC000086260350 179259506 /nfs/dbraw/zinc/25/95/06/179259506.db2.gz ALVDGPFVVUQFNL-OLZOCXBDSA-N 1 0 280.416 2.223 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1Cc1cnc(C)cn1 ZINC000086263065 179259818 /nfs/dbraw/zinc/25/98/18/179259818.db2.gz WFECDDSVWQMSBU-CABCVRRESA-N 1 0 276.428 2.384 10 0 CEAERO CC[C@@H]1C[N@H+]([C@@H]2CCC[C@@H]2OC)[C@H](C(C)C)CN1 ZINC000086261375 179259820 /nfs/dbraw/zinc/25/98/20/179259820.db2.gz XQCOLXIZXRGKCY-KBXIAJHMSA-N 1 0 254.418 2.262 10 0 CEAERO C[C@@H]1C[C@@H](N[C@@H](C[NH+](C)C)c2ccccc2)CC[N@@H+]1C ZINC000129854249 365899509 /nfs/dbraw/zinc/89/95/09/365899509.db2.gz IXNRRRANGGKUPG-PVAVHDDUSA-N 1 0 275.440 2.362 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1Cc1nccn1C ZINC000086264809 179260845 /nfs/dbraw/zinc/26/08/45/179260845.db2.gz FCGGCWFHDATGLK-CHWSQXEVSA-N 1 0 264.417 2.019 10 0 CEAERO CC(C)[C@@H]1CN[C@@](C)(C2CC2)C[N@@H+]1[C@@H]1CCCOC1 ZINC000086265153 179260881 /nfs/dbraw/zinc/26/08/81/179260881.db2.gz WGBBRGIBTJYTGB-OWCLPIDISA-N 1 0 266.429 2.264 10 0 CEAERO Cc1ncsc1CN1C[C@H](C2CC2)[NH2+]C[C@@H]1C ZINC000086264663 179260927 /nfs/dbraw/zinc/26/09/27/179260927.db2.gz OQBRMMLSRMUFRC-JOYOIKCWSA-N 1 0 251.399 2.024 10 0 CEAERO C[C@H]1C[NH2+][C@@H](c2ccccc2)CN1[C@@H]1CCCOC1 ZINC000086265144 179261241 /nfs/dbraw/zinc/26/12/41/179261241.db2.gz JHLLOCYGLFVGCH-NUEKZKHPSA-N 1 0 260.381 2.200 10 0 CEAERO CC[C@H]1CN[C@H](C2CC2)C[N@@H+]1C[C@@H](C)CSC ZINC000086266400 179262223 /nfs/dbraw/zinc/26/22/23/179262223.db2.gz GJQRNZBRXLNTAQ-XBFCOCLRSA-N 1 0 256.459 2.448 10 0 CEAERO C[C@H]1C[NH2+][C@H](C2CC2)CN1CCOC1CCCC1 ZINC000086265708 179262434 /nfs/dbraw/zinc/26/24/34/179262434.db2.gz MACSWUXNACLEAS-WFASDCNBSA-N 1 0 252.402 2.018 10 0 CEAERO CC(C)C[C@H]1CN(CCc2ccncc2)CCC[NH2+]1 ZINC000086288756 179264140 /nfs/dbraw/zinc/26/41/40/179264140.db2.gz NPMOCIFABUKUTC-INIZCTEOSA-N 1 0 261.413 2.334 10 0 CEAERO Cc1csc(CN2CCC[NH2+][C@@](C)(C3CC3)C2)n1 ZINC000086290054 179264554 /nfs/dbraw/zinc/26/45/54/179264554.db2.gz ULTXKWHRZIVXKA-CQSZACIVSA-N 1 0 265.426 2.416 10 0 CEAERO CC[C@@H]1CN[C@@](C)(C2CC2)C[N@@H+]1CC[C@@H]1CCCO1 ZINC000086258767 179257239 /nfs/dbraw/zinc/25/72/39/179257239.db2.gz BODGCBXZNIAJFF-OWCLPIDISA-N 1 0 266.429 2.408 10 0 CEAERO CC(C)N1C(=O)C[C@H]([NH3+])[C@@H]1c1ccc2ccccc2n1 ZINC000086317448 179270371 /nfs/dbraw/zinc/27/03/71/179270371.db2.gz CKPKBXQTHCMTHH-BLLLJJGKSA-N 1 0 269.348 2.244 10 0 CEAERO CCN1C(=O)CC[C@@H]([NH3+])[C@@H]1c1ccc2ccccc2n1 ZINC000086317422 179270447 /nfs/dbraw/zinc/27/04/47/179270447.db2.gz AXCRKDGBKBVUJC-MLGOLLRUSA-N 1 0 269.348 2.246 10 0 CEAERO CC(C)N1CCO[C@@H](C[NH3+])[C@@H]1c1ccc2ccccc2n1 ZINC000086317398 179270565 /nfs/dbraw/zinc/27/05/65/179270565.db2.gz PNGPSQHCZIPTGK-IRXDYDNUSA-N 1 0 285.391 2.344 10 0 CEAERO [NH3+]C[C@@H]1CCCN(c2nc(Br)cs2)C1 ZINC000086290647 179265674 /nfs/dbraw/zinc/26/56/74/179265674.db2.gz XPMMEHIHQCSIHL-ZETCQYMHSA-N 1 0 276.203 2.081 10 0 CEAERO COc1cc(F)ccc1N1CCC[NH2+][C@@H](C2CC2)C1 ZINC000086290835 179265729 /nfs/dbraw/zinc/26/57/29/179265729.db2.gz BWTWFLRPRAEBLO-CYBMUJFWSA-N 1 0 264.344 2.413 10 0 CEAERO C[C@]1(C2CC2)C[N@H+](CC[C@@H]2CCCO2)CCCN1 ZINC000086291393 179265834 /nfs/dbraw/zinc/26/58/34/179265834.db2.gz UMVPOUDLGHJTMZ-LSDHHAIUSA-N 1 0 252.402 2.020 10 0 CEAERO CSCCN1CCC[NH2+][C@@H](Cc2ccccc2)C1 ZINC000086298457 179268443 /nfs/dbraw/zinc/26/84/43/179268443.db2.gz KYQXYPTUFLWEIC-HNNXBMFYSA-N 1 0 264.438 2.256 10 0 CEAERO CC(C)[C@H]1CN(CCOC2CCCC2)CCC[NH2+]1 ZINC000086298026 179268838 /nfs/dbraw/zinc/26/88/38/179268838.db2.gz HWJYJCFDWULTFB-OAHLLOKOSA-N 1 0 254.418 2.266 10 0 CEAERO CC(C)(C)[C@@H](N)c1noc(-c2ccncc2F)n1 ZINC000086317079 179269794 /nfs/dbraw/zinc/26/97/94/179269794.db2.gz RLHFIVIQUMCTQI-VIFPVBQESA-N 1 0 250.277 2.317 10 0 CEAERO CCn1c(C)nnc1C[N@@H+]1CCCCC[C@H]1C[C@@H](C)O ZINC000336841607 365915083 /nfs/dbraw/zinc/91/50/83/365915083.db2.gz SDGRVNSATXCPOX-OCCSQVGLSA-N 1 0 280.416 2.122 10 0 CEAERO C[C@@H]1CN(c2nc3c(s2)CCC[C@@H]3[NH3+])CCCO1 ZINC000086444001 179294101 /nfs/dbraw/zinc/29/41/01/179294101.db2.gz OEMYSLGRDOUWIQ-ZJUUUORDSA-N 1 0 267.398 2.094 10 0 CEAERO CC[C@@H]1CN(C(=O)c2cc(Cl)cn2C)[C@@H](CC)C[NH2+]1 ZINC000086446285 179294656 /nfs/dbraw/zinc/29/46/56/179294656.db2.gz SADMROMSQOIANU-NEPJUHHUSA-N 1 0 283.803 2.281 10 0 CEAERO C[N@@H+]1CCN(c2nc3c(s2)CCC[C@@H]3O)CC1(C)C ZINC000086444816 179294668 /nfs/dbraw/zinc/29/46/68/179294668.db2.gz SWWGSVYFKOZAHC-JTQLQIEISA-N 1 0 281.425 2.043 10 0 CEAERO CN(c1nc2c(s1)CCC[C@H]2O)C1CC[NH+](C)CC1 ZINC000086444368 179294734 /nfs/dbraw/zinc/29/47/34/179294734.db2.gz SBTGBHXZAFKBID-LLVKDONJSA-N 1 0 281.425 2.043 10 0 CEAERO CC[C@@H]1CN(C(=O)c2cccn2CC)[C@@H](CC)C[NH2+]1 ZINC000086447726 179295510 /nfs/dbraw/zinc/29/55/10/179295510.db2.gz WUXLUARSSATBOD-OLZOCXBDSA-N 1 0 263.385 2.111 10 0 CEAERO CC[C@H]1CN(C(=O)Cc2cccs2)[C@@H](CC)C[NH2+]1 ZINC000086447607 179295527 /nfs/dbraw/zinc/29/55/27/179295527.db2.gz IHOVQVVJGXKTMC-RYUDHWBXSA-N 1 0 266.410 2.280 10 0 CEAERO CC[C@@H]1CN(C(=O)[C@H](OC)c2ccccc2)[C@@H](CC)C[NH2+]1 ZINC000086447434 179295618 /nfs/dbraw/zinc/29/56/18/179295618.db2.gz RIGDGZQQZVPQMP-OWCLPIDISA-N 1 0 290.407 2.363 10 0 CEAERO C[C@@]1(c2nc([C@H]3Cc4ccccc43)no2)CCC[NH2+]C1 ZINC000086486397 179301616 /nfs/dbraw/zinc/30/16/16/179301616.db2.gz BQIVJKJRBOGXDO-XJKSGUPXSA-N 1 0 269.348 2.399 10 0 CEAERO Cc1cc(C[C@H](C)[NH3+])nc([C@@H]2Cc3ccccc32)n1 ZINC000086490807 179302587 /nfs/dbraw/zinc/30/25/87/179302587.db2.gz URXLDBNHXDXDMC-ZUZCIYMTSA-N 1 0 253.349 2.363 10 0 CEAERO CC[C@@H]1CN(Cc2nc(C(C)C)no2)[C@@H](CC)C[NH2+]1 ZINC000086464208 179296479 /nfs/dbraw/zinc/29/64/79/179296479.db2.gz CEYVGUWBEAELBZ-NEPJUHHUSA-N 1 0 266.389 2.155 10 0 CEAERO COc1ccc(C[C@H](C)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1 ZINC000086466691 179297284 /nfs/dbraw/zinc/29/72/84/179297284.db2.gz PEPBPFGHTCKVII-RDBSUJKOSA-N 1 0 262.397 2.308 10 0 CEAERO C[C@H]1CN(Cc2nnc(-c3ccc(F)cc3)o2)[C@@H](C)C[NH2+]1 ZINC000086469764 179299627 /nfs/dbraw/zinc/29/96/27/179299627.db2.gz PZXAKTUVQCFPTO-QWRGUYRKSA-N 1 0 290.342 2.058 10 0 CEAERO C[NH2+][C@@H](c1cscc1Br)[C@H]1COCCO1 ZINC000086555701 179307281 /nfs/dbraw/zinc/30/72/81/179307281.db2.gz JNDZHKHHMVPFBO-ZJUUUORDSA-N 1 0 292.198 2.187 10 0 CEAERO [NH3+][C@@H](Cc1csc2ccccc12)[C@H]1CCS(=O)(=O)C1 ZINC000086566392 179307688 /nfs/dbraw/zinc/30/76/88/179307688.db2.gz DQKRIHZQJLDGMW-GWCFXTLKSA-N 1 0 295.429 2.206 10 0 CEAERO [NH3+]C[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000066054521 362849605 /nfs/dbraw/zinc/84/96/05/362849605.db2.gz RFHWUYIUCANZPA-INIZCTEOSA-N 1 0 284.359 2.483 10 0 CEAERO CO[C@@H](C)[C@H]([NH3+])Cc1cc(Br)ccc1F ZINC000086575809 179308570 /nfs/dbraw/zinc/30/85/70/179308570.db2.gz LCZULLONXZQNMG-WRWORJQWSA-N 1 0 276.149 2.493 10 0 CEAERO CO[C@@H](C)[C@@H]([NH3+])Cc1ccc(Br)cc1F ZINC000086575743 179308702 /nfs/dbraw/zinc/30/87/02/179308702.db2.gz FHVNSSGFSMROOC-CPCISQLKSA-N 1 0 276.149 2.493 10 0 CEAERO COC(=O)CC[C@H]([NH3+])Cc1ccc(OC)c(Cl)c1 ZINC000086584642 179309192 /nfs/dbraw/zinc/30/91/92/179309192.db2.gz BTDZFCOAHROWNH-JTQLQIEISA-N 1 0 271.744 2.172 10 0 CEAERO CC(C)n1c2ccc(C[NH3+])cc2nc1C(C)(C)CO ZINC000086641412 179314747 /nfs/dbraw/zinc/31/47/47/179314747.db2.gz GRWDXFGHZQBWLW-UHFFFAOYSA-N 1 0 261.369 2.346 10 0 CEAERO CC(C)n1c2ccc(C[NH3+])cc2nc1[C@@H]1COCCO1 ZINC000086641506 179315093 /nfs/dbraw/zinc/31/50/93/179315093.db2.gz YTCGONQFDBKUIJ-AWEZNQCLSA-N 1 0 275.352 2.164 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCSc1nc(C)c(C)c(C)n1 ZINC000086646823 179316526 /nfs/dbraw/zinc/31/65/26/179316526.db2.gz GZZFPCLWZLUCES-CQSZACIVSA-N 1 0 283.441 2.245 10 0 CEAERO c1ccc2c(c1)OC[C@H]2N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130230006 365935703 /nfs/dbraw/zinc/93/57/03/365935703.db2.gz OQKDNFXVWXNZBB-GZBFAFLISA-N 1 0 258.365 2.337 10 0 CEAERO COc1cccc([C@@H](C)[NH2+][C@H]2CCC[C@@H]2S(C)(=O)=O)c1 ZINC000086674894 179318365 /nfs/dbraw/zinc/31/83/65/179318365.db2.gz UWZXDVXQLNRFPH-UGFHNGPFSA-N 1 0 297.420 2.312 10 0 CEAERO COC[C@H](C)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000128677403 187383224 /nfs/dbraw/zinc/38/32/24/187383224.db2.gz APZOMXNXVWLTRS-FHERZECASA-N 1 0 296.455 2.428 10 0 CEAERO C[C@@H]1CC[C@H](C[NH3+])CN1Cc1cnc(Cl)s1 ZINC000086777910 179329788 /nfs/dbraw/zinc/32/97/88/179329788.db2.gz CZCCDQISYWUZSP-RKDXNWHRSA-N 1 0 259.806 2.356 10 0 CEAERO CCCC1CCC(C[NH3+])(OCCC(=O)OC)CC1 ZINC000086713372 179322653 /nfs/dbraw/zinc/32/26/53/179322653.db2.gz IVSKVXUEHLSXJS-UHFFFAOYSA-N 1 0 257.374 2.254 10 0 CEAERO CCC(C)(C)NC(=O)CO[C@@]1(C[NH3+])CCC[C@H](C)C1 ZINC000086712482 179322801 /nfs/dbraw/zinc/32/28/01/179322801.db2.gz JNIZZQYEVKIMEY-WFASDCNBSA-N 1 0 270.417 2.215 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC[C@@H](c2ccco2)N(C)C)CC1 ZINC000086836145 179349238 /nfs/dbraw/zinc/34/92/38/179349238.db2.gz LJTGOVYBHNSOCK-CABCVRRESA-N 1 0 279.428 2.346 10 0 CEAERO CC(=O)N1CCc2cc(N[C@@H]3CCC[N@@H+](C)CC3)ccc21 ZINC000086817751 179346129 /nfs/dbraw/zinc/34/61/29/179346129.db2.gz LLAXVBWDMHJCEY-OAHLLOKOSA-N 1 0 287.407 2.492 10 0 CEAERO CC[N@@H+]1CCC[C@@]([NH2+]Cc2cccs2)(C(=O)[O-])CC1 ZINC000086850308 179357552 /nfs/dbraw/zinc/35/75/52/179357552.db2.gz KQDDIXPQTSNUHE-AWEZNQCLSA-N 1 0 282.409 2.167 10 0 CEAERO COc1ccc([C@]2(O)CCC[N@H+](C)CC2)cc1OC ZINC000086834007 179349993 /nfs/dbraw/zinc/34/99/93/179349993.db2.gz ZAGOUBJCEPSYKW-HNNXBMFYSA-N 1 0 265.353 2.007 10 0 CEAERO Cc1csc([C@]2(N)CCC[N@@H+](C(C)C)CC2)n1 ZINC000086851296 179359954 /nfs/dbraw/zinc/35/99/54/179359954.db2.gz QYONFRINKKHUKL-ZDUSSCGKSA-N 1 0 253.415 2.500 10 0 CEAERO CCC[N@@H+]1CCC[C@@](O)([C@@H](CC)C(=O)OCC)CC1 ZINC000086868283 179360447 /nfs/dbraw/zinc/36/04/47/179360447.db2.gz GZWMLLADRCHHHE-ZFWWWQNUSA-N 1 0 271.401 2.203 10 0 CEAERO CCOC(=O)[C@@H](CC)[C@]1(O)CCC[N@@H+](C(C)C)CC1 ZINC000086868293 179360818 /nfs/dbraw/zinc/36/08/18/179360818.db2.gz LNAKUJDAJMVRED-HIFRSBDPSA-N 1 0 271.401 2.201 10 0 CEAERO CCC[N@@H+]1CCC[C@@H]([NH+](C)CCCC(=O)[O-])CC1 ZINC000086869214 179362636 /nfs/dbraw/zinc/36/26/36/179362636.db2.gz URCYQNRRBKHXTF-CYBMUJFWSA-N 1 0 256.390 2.048 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCCOCC1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000086873239 179364586 /nfs/dbraw/zinc/36/45/86/179364586.db2.gz FVVMVDJYICSHNI-ZYHUDNBSSA-N 1 0 275.352 2.076 10 0 CEAERO CCOC(=O)[C@]1(NC2CCCC2)CCC[N@H+](CC)CC1 ZINC000086850395 179358036 /nfs/dbraw/zinc/35/80/36/179358036.db2.gz CWRZHBZDLTURMA-INIZCTEOSA-N 1 0 282.428 2.326 10 0 CEAERO CC[N@@H+]1CCC[C@@](NC2CCCCC2)(C(=O)OC)CC1 ZINC000086850421 179358139 /nfs/dbraw/zinc/35/81/39/179358139.db2.gz YVIBSRRBVXYQRM-INIZCTEOSA-N 1 0 282.428 2.326 10 0 CEAERO CCC[N@@H+]1CCC[C@](Nc2cccc(F)c2)(C(N)=O)CC1 ZINC000086849483 179358223 /nfs/dbraw/zinc/35/82/23/179358223.db2.gz ILJOEEGDNDVKBW-MRXNPFEDSA-N 1 0 293.386 2.358 10 0 CEAERO CCS(=O)(=O)CCC[C@@]1([NH3+])CCC[C@H](C2CC2)C1 ZINC000086977477 179372564 /nfs/dbraw/zinc/37/25/64/179372564.db2.gz SJCKJLTYCZQGEZ-KBPBESRZSA-N 1 0 273.442 2.499 10 0 CEAERO CC[C@@H](CCCS(=O)(=O)CC)C[NH2+]CC(C)C ZINC000086980858 179373038 /nfs/dbraw/zinc/37/30/38/179373038.db2.gz QFOMHTGPBRZAKD-ZDUSSCGKSA-N 1 0 263.447 2.473 10 0 CEAERO CCC[NH2+][C@H](CCCS(=O)(=O)CC)Cc1ccncc1 ZINC000086979357 179373280 /nfs/dbraw/zinc/37/32/80/179373280.db2.gz SBJJPOSEOCDECQ-OAHLLOKOSA-N 1 0 298.452 2.207 10 0 CEAERO CC[NH2+][C@@H](CCCS(=O)(=O)CC)Cc1cccs1 ZINC000086979322 179373405 /nfs/dbraw/zinc/37/34/05/179373405.db2.gz YWXQFZCGQWSETL-LBPRGKRZSA-N 1 0 289.466 2.484 10 0 CEAERO [NH3+]C[C@@]1(N(Cc2ccco2)C2CC2)CCCOCC1 ZINC000086875430 179365599 /nfs/dbraw/zinc/36/55/99/179365599.db2.gz MRCGBFAIAOBNPM-OAHLLOKOSA-N 1 0 264.369 2.142 10 0 CEAERO CN(c1cccc(F)c1)[C@@]1(C[NH3+])CCCOCC1 ZINC000086875588 179365642 /nfs/dbraw/zinc/36/56/42/179365642.db2.gz LJFLWDGBBWCYGF-AWEZNQCLSA-N 1 0 252.333 2.160 10 0 CEAERO CC1(C)CCC[C@@](CO)([NH2+]C[C@H]2CCCO2)CC1 ZINC000086920872 179367984 /nfs/dbraw/zinc/36/79/84/179367984.db2.gz AZSMQTYFUKLGHP-UKRRQHHQSA-N 1 0 255.402 2.476 10 0 CEAERO C[NH2+][C@@H](c1cncc(F)c1)[C@H]1CSCCS1 ZINC000086985061 179374047 /nfs/dbraw/zinc/37/40/47/179374047.db2.gz KRJCJUIYFDNRNS-MNOVXSKESA-N 1 0 258.387 2.330 10 0 CEAERO COCC[NH2+][C@]1(C(N)=O)CCC[C@H](C(C)(C)C)CC1 ZINC000086959935 179368976 /nfs/dbraw/zinc/36/89/76/179368976.db2.gz QMFZXGSSHKTQIX-SWLSCSKDSA-N 1 0 270.417 2.073 10 0 CEAERO COCCCc1noc([C@]2([NH3+])CCC[C@@H](C)C2)n1 ZINC000086963191 179369407 /nfs/dbraw/zinc/36/94/07/179369407.db2.gz XXNUHSKEXTYEHX-MFKMUULPSA-N 1 0 253.346 2.013 10 0 CEAERO CCC[NH2+][C@H](CCCOC)c1cc(C)cnc1N ZINC000086970922 179370716 /nfs/dbraw/zinc/37/07/16/179370716.db2.gz RPQVGOINALQCFX-CYBMUJFWSA-N 1 0 251.374 2.440 10 0 CEAERO CCC[NH2+][C@@H](CCCOC)c1cc(C)cnc1N ZINC000086970917 179370751 /nfs/dbraw/zinc/37/07/51/179370751.db2.gz RPQVGOINALQCFX-ZDUSSCGKSA-N 1 0 251.374 2.440 10 0 CEAERO CCS(=O)(=O)CCCOc1ccc(C)cc1[C@H](C)[NH3+] ZINC000086972888 179371692 /nfs/dbraw/zinc/37/16/92/179371692.db2.gz PPGXUYBWLNZKKN-LBPRGKRZSA-N 1 0 285.409 2.218 10 0 CEAERO CCC[NH2+][C@H]1CCC[C@H]1CCCS(=O)(=O)CC ZINC000086976287 179371928 /nfs/dbraw/zinc/37/19/28/179371928.db2.gz UQDLGSYPZWUOCD-STQMWFEESA-N 1 0 261.431 2.370 10 0 CEAERO CCS(=O)(=O)CCC[C@](C)([NH3+])c1cccc(F)c1 ZINC000086977337 179371992 /nfs/dbraw/zinc/37/19/92/179371992.db2.gz HONYPPWJMWTMKZ-ZDUSSCGKSA-N 1 0 273.373 2.215 10 0 CEAERO CC[NH2+][C@H]1CCCC[C@H]1CCCS(=O)(=O)CC ZINC000086976295 179372148 /nfs/dbraw/zinc/37/21/48/179372148.db2.gz FAZLODIPWDVVQD-STQMWFEESA-N 1 0 261.431 2.370 10 0 CEAERO Cc1cc(-c2nnc(CC[NH3+])o2)sc1Br ZINC000087018678 179381131 /nfs/dbraw/zinc/38/11/31/179381131.db2.gz DBUWCYBEKGFQIM-UHFFFAOYSA-N 1 0 288.170 2.370 10 0 CEAERO Cc1cc([C@@H]([NH3+])CCC(N)=O)sc1Br ZINC000087019500 179381214 /nfs/dbraw/zinc/38/12/14/179381214.db2.gz VNWFGXXZESVVOW-LURJTMIESA-N 1 0 277.187 2.084 10 0 CEAERO CC[C@@H](C[NH3+])NC(=O)c1cc(C)c(Br)s1 ZINC000087018551 179381268 /nfs/dbraw/zinc/38/12/68/179381268.db2.gz YHKXEQBCYNFNON-ZETCQYMHSA-N 1 0 291.214 2.286 10 0 CEAERO CCC(O)(CC)C[NH2+]C[C@H](O)c1cc(C)ccc1OC ZINC000087028487 179381716 /nfs/dbraw/zinc/38/17/16/179381716.db2.gz VBSIQIUSSQBSMZ-AWEZNQCLSA-N 1 0 281.396 2.178 10 0 CEAERO CC(C)(O)C[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000087027489 179381817 /nfs/dbraw/zinc/38/18/17/179381817.db2.gz GAFRRBNEBWXYAK-NSHDSACASA-N 1 0 277.286 2.099 10 0 CEAERO CCS(=O)(=O)CCC[C@H]1CCCC[C@H]([NH2+]C)C1 ZINC000086981738 179374223 /nfs/dbraw/zinc/37/42/23/179374223.db2.gz ZHOVGLMTIZTNHT-OLZOCXBDSA-N 1 0 261.431 2.370 10 0 CEAERO CC[NH2+][C@@H](Cc1ccsc1)[C@H]1CSCCO1 ZINC000086989189 179374591 /nfs/dbraw/zinc/37/45/91/179374591.db2.gz FUQWNJLZNQPMAT-NWDGAFQWSA-N 1 0 257.424 2.401 10 0 CEAERO CCN(C[C@H](C)C[NH3+])C(=O)c1c(F)cc(F)cc1F ZINC000086995723 179376882 /nfs/dbraw/zinc/37/68/82/179376882.db2.gz WRUJFSJXQUQDNS-MRVPVSSYSA-N 1 0 274.286 2.161 10 0 CEAERO CCC(O)(CC)C[NH2+]C[C@H](O)CO[C@@H](C)c1ccccc1 ZINC000087028615 179381956 /nfs/dbraw/zinc/38/19/56/179381956.db2.gz WNNFKOKZSOEQLN-HOCLYGCPSA-N 1 0 295.423 2.266 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@H]1NC(=O)c1c(F)cc(F)cc1F ZINC000086997970 179377583 /nfs/dbraw/zinc/37/75/83/179377583.db2.gz FPQAZTIJSQCLJZ-VXGBXAGGSA-N 1 0 286.297 2.494 10 0 CEAERO CCC1CCC(O)(C[NH2+][C@@H]2CCO[C@@H](C)C2)CC1 ZINC000087061425 179389448 /nfs/dbraw/zinc/38/94/48/179389448.db2.gz ZSQGZYLHYUMSQJ-FGZQJIAISA-N 1 0 255.402 2.475 10 0 CEAERO CCC1CCC(O)(C[NH2+][C@H]2CCO[C@@H](C)C2)CC1 ZINC000087061428 179389328 /nfs/dbraw/zinc/38/93/28/179389328.db2.gz ZSQGZYLHYUMSQJ-LQULJDIASA-N 1 0 255.402 2.475 10 0 CEAERO CC1(C)CCC(O)(C[NH2+][C@H]2CCN(C3CC3)C2)CC1 ZINC000087046534 179387920 /nfs/dbraw/zinc/38/79/20/179387920.db2.gz AOGKKZBABXNZDO-ZDUSSCGKSA-N 1 0 266.429 2.144 10 0 CEAERO CC[C@@H]1C[NH2+]C[C@@](C)(Cc2ccc(OC)c(OC)c2)O1 ZINC000087090226 179394228 /nfs/dbraw/zinc/39/42/28/179394228.db2.gz VRRKSFRNKFXELL-CZUORRHYSA-N 1 0 279.380 2.403 10 0 CEAERO CC[C@@H]1C[NH2+]C[C@H](c2cc(OC)c(OC)c(OC)c2)O1 ZINC000087090254 179394368 /nfs/dbraw/zinc/39/43/68/179394368.db2.gz NHBVIMIBBPBOFD-BXUZGUMPSA-N 1 0 281.352 2.152 10 0 CEAERO CCC[NH2+][C@H](CSCC)Cc1ccnc(N)c1 ZINC000087106095 179394927 /nfs/dbraw/zinc/39/49/27/179394927.db2.gz WYBLQGHEAZKBJA-LBPRGKRZSA-N 1 0 253.415 2.328 10 0 CEAERO CC(C)(C)SCc1noc(COC2CC[NH2+]CC2)n1 ZINC000087115876 179395180 /nfs/dbraw/zinc/39/51/80/179395180.db2.gz ZBSSBZSGVLLJSI-UHFFFAOYSA-N 1 0 285.413 2.370 10 0 CEAERO CC1CCC(O)(C[NH2+][C@H]2CCCCC[C@@H]2O)CC1 ZINC000087061777 179389667 /nfs/dbraw/zinc/38/96/67/179389667.db2.gz ZFIYQIGZILOBNL-GQKFXUNGSA-N 1 0 255.402 2.211 10 0 CEAERO C[C@H]1CCC[C@@]([NH3+])(C(=O)NCC2(O)CCC(C)(C)CC2)C1 ZINC000087068912 179391270 /nfs/dbraw/zinc/39/12/70/179391270.db2.gz NQEWNPRGRKLKAK-GUYCJALGSA-N 1 0 296.455 2.342 10 0 CEAERO CC(C)[NH2+]C[C@@H](O)COCc1cccc(Cl)c1 ZINC000087093557 179394203 /nfs/dbraw/zinc/39/42/03/179394203.db2.gz XYSAGRHWNJRVLX-CYBMUJFWSA-N 1 0 257.761 2.216 10 0 CEAERO COc1c(C)c[nH+]c(C[C@H](O)[C@H]2CCCOC2)c1C ZINC000087181052 179399155 /nfs/dbraw/zinc/39/91/55/179399155.db2.gz KDPMQIXHKXZISO-JSGCOSHPSA-N 1 0 265.353 2.037 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(NC(=O)C[C@@H]2CCCO2)cc1 ZINC000087209515 179401333 /nfs/dbraw/zinc/40/13/33/179401333.db2.gz NAHWNOCRSLYUEA-FZMZJTMJSA-N 1 0 262.353 2.475 10 0 CEAERO C[C@@H](O)[C@@H](C)Oc1ccc(Br)cc1C[NH3+] ZINC000087125346 179395966 /nfs/dbraw/zinc/39/59/66/179395966.db2.gz CEUGAWHHDFALBX-HTQZYQBOSA-N 1 0 274.158 2.056 10 0 CEAERO CCS(=O)(=O)CCC[C@@H](CSCC(C)C)[NH2+]C ZINC000087122892 179396028 /nfs/dbraw/zinc/39/60/28/179396028.db2.gz CLTANWLWXRZYAI-LBPRGKRZSA-N 1 0 281.487 2.179 10 0 CEAERO COc1ccc([C@@H](O)[C@@H](C[NH3+])c2ccccc2)c(OC)c1 ZINC000087349634 179414979 /nfs/dbraw/zinc/41/49/79/179414979.db2.gz YEQDEYHAIQOBPV-DOTOQJQBSA-N 1 0 287.359 2.480 10 0 CEAERO CC(C)(C)[NH2+]CCc1ncc(C2CCOCC2)o1 ZINC000087345842 179415107 /nfs/dbraw/zinc/41/51/07/179415107.db2.gz XVKAQMYPVOOMFE-UHFFFAOYSA-N 1 0 252.358 2.499 10 0 CEAERO COc1ccccc1[C@H](O)[C@H](C[NH3+])c1ccccc1 ZINC000087349839 179415187 /nfs/dbraw/zinc/41/51/87/179415187.db2.gz RKJRVFZJBLRHHM-ZBFHGGJFSA-N 1 0 257.333 2.471 10 0 CEAERO COCC[C@@H](O)[C@H](C[NH3+])c1c(Cl)cccc1Cl ZINC000087348236 179415192 /nfs/dbraw/zinc/41/51/92/179415192.db2.gz IIOYMJHNTCJTGB-GZMMTYOYSA-N 1 0 278.179 2.433 10 0 CEAERO COc1cccc([C@@H](O)[C@H](C[NH3+])c2cccc(OC)c2)c1 ZINC000087380994 179417575 /nfs/dbraw/zinc/41/75/75/179417575.db2.gz NZFLIYVBOITRRA-IAGOWNOFSA-N 1 0 287.359 2.480 10 0 CEAERO CCC[C@H](C[NH3+])NC(=O)c1cc(Cl)cn1C1CC1 ZINC000087387266 179419151 /nfs/dbraw/zinc/41/91/51/179419151.db2.gz ZZHYWFBYLNULRJ-SNVBAGLBSA-N 1 0 269.776 2.334 10 0 CEAERO CCC[C@@H](C[NH3+])NC(=O)c1cccc2ncccc21 ZINC000087387162 179419225 /nfs/dbraw/zinc/41/92/25/179419225.db2.gz ASBWELYVVSNUCH-NSHDSACASA-N 1 0 257.337 2.092 10 0 CEAERO CCC[C@H](C[NH3+])NS(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000087404006 179419922 /nfs/dbraw/zinc/41/99/22/179419922.db2.gz JTMNMFKYBPLXKV-CQSZACIVSA-N 1 0 298.452 2.326 10 0 CEAERO CCC[C@@H](C[NH3+])Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000087405542 179419934 /nfs/dbraw/zinc/41/99/34/179419934.db2.gz RJHUYNQEBKGQMM-JTQLQIEISA-N 1 0 292.351 2.222 10 0 CEAERO CCC[C@@H](C[NH3+])Nc1ccccc1S(=O)(=O)CCC ZINC000087405402 179419941 /nfs/dbraw/zinc/41/99/41/179419941.db2.gz AZABSEAVUFBBRV-LBPRGKRZSA-N 1 0 284.425 2.410 10 0 CEAERO CC(C)[C@@H](C[NH3+])NC(=O)Nc1ccc(Cl)cc1 ZINC000087403787 179420128 /nfs/dbraw/zinc/42/01/28/179420128.db2.gz MLSYRQSTBGOOCA-LLVKDONJSA-N 1 0 255.749 2.445 10 0 CEAERO CCC[C@@H](C[NH3+])Nc1ccnc(C(=O)N(CC)CC)c1 ZINC000087405493 179420132 /nfs/dbraw/zinc/42/01/32/179420132.db2.gz IQDJMNLZHGHPPK-ZDUSSCGKSA-N 1 0 278.400 2.103 10 0 CEAERO CCC[NH2+][C@@H](C)[C@H](CC)c1nc(-c2ccn(C)n2)no1 ZINC000087426753 179424454 /nfs/dbraw/zinc/42/44/54/179424454.db2.gz GMXDJFGTYGRHOX-QWRGUYRKSA-N 1 0 277.372 2.352 10 0 CEAERO COC[C@H](C)N(C)c1ccc(C(N)=[NH2+])c(Cl)c1 ZINC000061856688 522596865 /nfs/dbraw/zinc/59/68/65/522596865.db2.gz MJQYWINHTYPHEX-QMMMGPOBSA-N 1 0 255.749 2.095 10 0 CEAERO Cc1ccccc1[C@H](CN1CCOCC1)[NH2+][C@@H]1C[C@H]1C ZINC000248508708 539637278 /nfs/dbraw/zinc/63/72/78/539637278.db2.gz YGGBKMCVDSSZCM-OIISXLGYSA-N 1 0 274.408 2.366 10 0 CEAERO CC(C)(C)[NH2+]C[C@@H]1CCCCN1c1ncns1 ZINC000087643818 179463028 /nfs/dbraw/zinc/46/30/28/179463028.db2.gz PJCFPABIVQULIE-JTQLQIEISA-N 1 0 254.403 2.285 10 0 CEAERO CC(C)N[C@@](C[N@@H+]1CCCC(C)(C)CC1)(C(N)=O)C1CC1 ZINC000087659428 179465389 /nfs/dbraw/zinc/46/53/89/179465389.db2.gz CRNUXXXCZACBFC-QGZVFWFLSA-N 1 0 295.471 2.131 10 0 CEAERO CCOC(=O)[C@@H]1CCCCN1C(=O)[C@@H](C)CCC[C@@H](C)[NH3+] ZINC000087697119 179472351 /nfs/dbraw/zinc/47/23/51/179472351.db2.gz ZKPIRNURBNGAHQ-MJBXVCDLSA-N 1 0 298.427 2.084 10 0 CEAERO C[C@H]1CN(C(=O)CCC(C)(C)CC[NH3+])C[C@H](C)S1 ZINC000087703333 179473388 /nfs/dbraw/zinc/47/33/88/179473388.db2.gz PUUMEGMGIOMYFI-RYUDHWBXSA-N 1 0 272.458 2.494 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+]CCN(C)C2CC2)C12CCC2 ZINC000087710978 179475646 /nfs/dbraw/zinc/47/56/46/179475646.db2.gz PTPKOWIRFCJQCF-KGLIPLIRSA-N 1 0 252.402 2.018 10 0 CEAERO [NH3+][C@@H](Cc1ccn(C2CCCCC2)n1)[C@H]1CCCO1 ZINC000087802078 179488338 /nfs/dbraw/zinc/48/83/38/179488338.db2.gz RJYJCISQGGUXGL-LSDHHAIUSA-N 1 0 263.385 2.437 10 0 CEAERO [NH3+]CCc1ccc(-c2nc([C@@H]3CCCOC3)no2)cc1 ZINC000087813407 179490305 /nfs/dbraw/zinc/49/03/05/179490305.db2.gz OGCMFUWJSSXYIC-CYBMUJFWSA-N 1 0 273.336 2.132 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)N(CC)Cc1ccc(OC)c(F)c1 ZINC000087524530 179440709 /nfs/dbraw/zinc/44/07/09/179440709.db2.gz OTTGUGZZMYCWDE-LBPRGKRZSA-N 1 0 282.359 2.168 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N[C@@H]1CCCc2occc21 ZINC000087531835 179441624 /nfs/dbraw/zinc/44/16/24/179441624.db2.gz GOIMWEAVBITBHK-ZYHUDNBSSA-N 1 0 250.342 2.148 10 0 CEAERO CCOC(=O)C[C@@H]([NH2+]C)c1cc(F)c(F)c(F)c1 ZINC000087547632 179443007 /nfs/dbraw/zinc/44/30/07/179443007.db2.gz GGTKBDWURULPGM-SNVBAGLBSA-N 1 0 261.243 2.318 10 0 CEAERO COc1cccc(OC)c1OCCC(C)(C)C(N)=[NH2+] ZINC000087594144 179451799 /nfs/dbraw/zinc/45/17/99/179451799.db2.gz KMQJDGPPHJVILF-UHFFFAOYSA-N 1 0 266.341 2.435 10 0 CEAERO CC(=O)Nc1cccc([C@H]2CCCCN(CC[NH3+])C2)c1 ZINC000616629498 348540624 /nfs/dbraw/zinc/54/06/24/348540624.db2.gz RRZNXGKQDJPFLH-HNNXBMFYSA-N 1 0 275.396 2.173 10 0 CEAERO Nc1cccc([C@@H]2C[N@H+](Cc3ccccc3)CCN2)c1 ZINC000616632904 348541527 /nfs/dbraw/zinc/54/15/27/348541527.db2.gz YVAQEWVQVXDHJD-KRWDZBQOSA-N 1 0 267.376 2.415 10 0 CEAERO CC(C)(C)N1CC[NH2+]C[C@@H]1c1ccc2nnccc2c1 ZINC000616637386 348542818 /nfs/dbraw/zinc/54/28/18/348542818.db2.gz LYFJBYPEIHWQLY-OAHLLOKOSA-N 1 0 270.380 2.375 10 0 CEAERO CC(C)[N@@H+]1CCOC[C@H](c2ccc3ccnnc3c2)C1 ZINC000616660401 348552154 /nfs/dbraw/zinc/55/21/54/348552154.db2.gz LZCVBEKNKWOKSH-OAHLLOKOSA-N 1 0 271.364 2.454 10 0 CEAERO CCc1nc(N(C)C(CC)CC)c(C)c(NN)[nH+]1 ZINC000087918532 179523377 /nfs/dbraw/zinc/52/33/77/179523377.db2.gz WNPHSVYDHMZCCT-UHFFFAOYSA-N 1 0 251.378 2.258 10 0 CEAERO Cc1nn([C@@H]2CC[C@@H]2C[NH3+])c(C)c1Br ZINC000087923531 179523611 /nfs/dbraw/zinc/52/36/11/179523611.db2.gz XJSPHLBAFZZBRV-RKDXNWHRSA-N 1 0 258.163 2.172 10 0 CEAERO c1onnc1[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000616651366 348548567 /nfs/dbraw/zinc/54/85/67/348548567.db2.gz MSZOTYCKSVJYCL-CQSZACIVSA-N 1 0 259.309 2.033 10 0 CEAERO CCOC(=O)c1cccc([C@@H]2C[N@H+](C)CCCO2)c1 ZINC000616651785 348548658 /nfs/dbraw/zinc/54/86/58/348548658.db2.gz PKUFRISZWHWCOE-AWEZNQCLSA-N 1 0 263.337 2.257 10 0 CEAERO COc1ccc(Cn2cnc3ccccc32)cc1C(N)=[NH2+] ZINC000087828162 179496466 /nfs/dbraw/zinc/49/64/66/179496466.db2.gz LJGVIVPHLBXFLH-UHFFFAOYSA-N 1 0 280.331 2.377 10 0 CEAERO CC(=O)Nc1cccc([C@H]2COCC[N@@H+](C(C)C)C2)c1 ZINC000616658290 348550532 /nfs/dbraw/zinc/55/05/32/348550532.db2.gz CUXXXGITPDWDPU-OAHLLOKOSA-N 1 0 276.380 2.469 10 0 CEAERO [NH3+][C@H](Cc1ccc(Cl)cc1Cl)[C@H]1COCCO1 ZINC000087857366 179502494 /nfs/dbraw/zinc/50/24/94/179502494.db2.gz AUEDDPWLQMVUTL-VXGBXAGGSA-N 1 0 276.163 2.279 10 0 CEAERO [NH3+][C@@H]1CN(C(=O)CC2CC2)CC[C@H]1c1cccc(F)c1 ZINC000616570039 348523433 /nfs/dbraw/zinc/52/34/33/348523433.db2.gz LLKGXOLQWNTFPA-LSDHHAIUSA-N 1 0 276.355 2.269 10 0 CEAERO O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccccc1)C1CCCC1 ZINC000616572942 348524166 /nfs/dbraw/zinc/52/41/66/348524166.db2.gz XSMUXKQBISNJNT-HOTGVXAUSA-N 1 0 272.392 2.439 10 0 CEAERO CC(C)(C)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000616572147 348524305 /nfs/dbraw/zinc/52/43/05/348524305.db2.gz VNMIJXDRUUOMHZ-KGLIPLIRSA-N 1 0 278.371 2.434 10 0 CEAERO Cc1nc(OC2CCC(C)CC2)c(C)c(NN)[nH+]1 ZINC000087877961 179507763 /nfs/dbraw/zinc/50/77/63/179507763.db2.gz PLRJMVHAOHYGMO-UHFFFAOYSA-N 1 0 250.346 2.337 10 0 CEAERO CC[N@@H+]1CCOCC[C@@H]1c1cc2ccccc2nn1 ZINC000616599154 348530499 /nfs/dbraw/zinc/53/04/99/348530499.db2.gz PHUIHZUWLWTIIM-OAHLLOKOSA-N 1 0 257.337 2.413 10 0 CEAERO CC[N@@H+]1CCCOC[C@@H]1c1ccc(NC(C)=O)cc1 ZINC000616599273 348530586 /nfs/dbraw/zinc/53/05/86/348530586.db2.gz JJNZJPXJTXLEAN-OAHLLOKOSA-N 1 0 262.353 2.428 10 0 CEAERO c1c[nH]c([C@@H]2COCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000616658781 348551190 /nfs/dbraw/zinc/55/11/90/348551190.db2.gz FAOWACNPVSHMCP-AWEZNQCLSA-N 1 0 257.337 2.026 10 0 CEAERO OCC[NH+]1CCC(c2nccc3ccccc32)CC1 ZINC000616609391 348533254 /nfs/dbraw/zinc/53/32/54/348533254.db2.gz VCKLVTASXNMRDC-UHFFFAOYSA-N 1 0 256.349 2.407 10 0 CEAERO [NH3+]CCN1CCC(c2cccc3ncccc32)CC1 ZINC000616608931 348533266 /nfs/dbraw/zinc/53/32/66/348533266.db2.gz HUAVKFYYJMGBKF-UHFFFAOYSA-N 1 0 255.365 2.373 10 0 CEAERO Nc1ccn([C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000616617881 348535550 /nfs/dbraw/zinc/53/55/50/348535550.db2.gz DSBJCBZYZBXSPP-CQSZACIVSA-N 1 0 256.353 2.133 10 0 CEAERO [NH3+]CCN1CCC[C@@H](c2cccc3cccnc32)C1 ZINC000616620734 348537218 /nfs/dbraw/zinc/53/72/18/348537218.db2.gz MZKPYRQQPVJBHH-CQSZACIVSA-N 1 0 255.365 2.373 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH3+])[C@@H]1CCOc2ccccc21 ZINC000088019344 179536769 /nfs/dbraw/zinc/53/67/69/179536769.db2.gz CGDMNECUYKRDJC-TZMCWYRMSA-N 1 0 297.420 2.095 10 0 CEAERO [NH3+]CCc1csc([C@@H]2COc3ccccc3C2)n1 ZINC000088040996 179538708 /nfs/dbraw/zinc/53/87/08/179538708.db2.gz LFEDLZMUFIDXPI-NSHDSACASA-N 1 0 260.362 2.363 10 0 CEAERO Cc1cnc(C)c(N(C)c2cccc(C(N)=[NH2+])c2)n1 ZINC000088057782 179540726 /nfs/dbraw/zinc/54/07/26/179540726.db2.gz MYSOVHKJVDVPPG-UHFFFAOYSA-N 1 0 255.325 2.145 10 0 CEAERO C[C@@H](C[NH3+])[S@@](=O)Cc1sccc1Br ZINC000088068234 179543755 /nfs/dbraw/zinc/54/37/55/179543755.db2.gz SNWXUALXUBYIGB-DAZKTRTLSA-N 1 0 282.228 2.107 10 0 CEAERO Cc1csc(NC(=O)C[C@H](C[NH3+])CC(C)C)n1 ZINC000088275923 179573800 /nfs/dbraw/zinc/57/38/00/179573800.db2.gz LMGBSXLEHDOVGF-SNVBAGLBSA-N 1 0 255.387 2.401 10 0 CEAERO c1ccc(C[N@@H+]2CCO[C@@H](c3ncccn3)CC2)cc1 ZINC000616662963 348553611 /nfs/dbraw/zinc/55/36/11/348553611.db2.gz MWBSBONLGQQMIS-OAHLLOKOSA-N 1 0 269.348 2.440 10 0 CEAERO Nc1ncccc1[C@H]1COCC[N@H+](Cc2ccccc2)C1 ZINC000616662551 348553958 /nfs/dbraw/zinc/55/39/58/348553958.db2.gz IYTKXFWKSJWLFX-OAHLLOKOSA-N 1 0 283.375 2.280 10 0 CEAERO [NH3+]CCN1CCCO[C@H](c2cccc(Cl)c2)C1 ZINC000616680167 348558879 /nfs/dbraw/zinc/55/88/79/348558879.db2.gz OLLOMMVHOJHJDL-ZDUSSCGKSA-N 1 0 254.761 2.062 10 0 CEAERO OCCc1ccc([C@H]2c3ccccc3CC[N@H+]2CCO)cc1 ZINC000616679708 348558936 /nfs/dbraw/zinc/55/89/36/348558936.db2.gz ZHCQELHGBXTZQW-IBGZPJMESA-N 1 0 297.398 2.161 10 0 CEAERO Nc1ccccc1[C@H]1CN(CC[NH3+])c2ccccc2N1 ZINC000616685690 348559970 /nfs/dbraw/zinc/55/99/70/348559970.db2.gz SWLIXXIBVJJSER-OAHLLOKOSA-N 1 0 268.364 2.201 10 0 CEAERO CC[NH2+]CCc1nc([C@@H]2CCc3ccccc32)no1 ZINC000087997576 179533760 /nfs/dbraw/zinc/53/37/60/179533760.db2.gz QBWGHFHHQXSVPF-CYBMUJFWSA-N 1 0 257.337 2.300 10 0 CEAERO CN(CCC(F)(F)F)c1nc2ccccn2c1CC[NH3+] ZINC000088439312 179602726 /nfs/dbraw/zinc/60/27/26/179602726.db2.gz BWHUGFLRFAPBFS-UHFFFAOYSA-N 1 0 286.301 2.224 10 0 CEAERO Cc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@@H](C)C2)c(F)c1 ZINC000088449783 179605916 /nfs/dbraw/zinc/60/59/16/179605916.db2.gz ZWASFEADIZXVFG-QWRGUYRKSA-N 1 0 250.317 2.318 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C(=O)N(C)CC2CCCCC2)C1 ZINC000088450203 179606016 /nfs/dbraw/zinc/60/60/16/179606016.db2.gz TXBUNEGGABCMKI-JSGCOSHPSA-N 1 0 252.402 2.271 10 0 CEAERO CC(C)CCOCCNC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000088288077 179575040 /nfs/dbraw/zinc/57/50/40/179575040.db2.gz RLPCVXRAZNACQW-AWEZNQCLSA-N 1 0 272.433 2.176 10 0 CEAERO Cc1ccc(OCc2ncnn2C)c(C[NH2+]CC(C)C)c1 ZINC000088571829 179628347 /nfs/dbraw/zinc/62/83/47/179628347.db2.gz KJLAEZKADMBRJD-UHFFFAOYSA-N 1 0 288.395 2.448 10 0 CEAERO C[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C(C)(C)Cc1ncnn1C ZINC000088583577 179630149 /nfs/dbraw/zinc/63/01/49/179630149.db2.gz KQFQUDVORPYLMV-FRRDWIJNSA-N 1 0 264.417 2.408 10 0 CEAERO CCC[NH2+]C[C@H](Cc1ncnn1C)Cc1ccccc1 ZINC000088583012 179630228 /nfs/dbraw/zinc/63/02/28/179630228.db2.gz FLNPCEZAAFQNFL-HNNXBMFYSA-N 1 0 272.396 2.216 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1c1nc(Cc2ccccc2F)no1 ZINC000104207575 185931501 /nfs/dbraw/zinc/93/15/01/185931501.db2.gz KJVKZYAJCXDAHP-KOLCDFICSA-N 1 0 261.300 2.122 10 0 CEAERO CCn1ncnc1C[C@@H]([NH3+])Cc1cccc(Cl)c1 ZINC000088610108 179638136 /nfs/dbraw/zinc/63/81/36/179638136.db2.gz ZOIBBCFXWNXMIL-LBPRGKRZSA-N 1 0 264.760 2.064 10 0 CEAERO CCCn1ncnc1C[C@@H](Cc1ccc(C)cc1)[NH2+]C ZINC000088611542 179638601 /nfs/dbraw/zinc/63/86/01/179638601.db2.gz UWSCNIAHAQAGAV-OAHLLOKOSA-N 1 0 272.396 2.370 10 0 CEAERO CCC[NH2+][C@H](COCCC)Cc1ncnn1CC(C)C ZINC000088611337 179638702 /nfs/dbraw/zinc/63/87/02/179638702.db2.gz FORQCXGMCGDGTN-AWEZNQCLSA-N 1 0 282.432 2.271 10 0 CEAERO CCCn1ncnc1C[C@H]([NH3+])CSC(C)(C)C ZINC000088612759 179639718 /nfs/dbraw/zinc/63/97/18/179639718.db2.gz RJRVDJOQXAADGN-JTQLQIEISA-N 1 0 256.419 2.090 10 0 CEAERO CCC[C@@H]1CN(Cc2ncnn2CCC)C(C)(C)C[NH2+]1 ZINC000088625161 179641707 /nfs/dbraw/zinc/64/17/07/179641707.db2.gz BDQSOWSYCPLELB-CYBMUJFWSA-N 1 0 279.432 2.041 10 0 CEAERO CC(C)Cn1ncnc1CN1CC2(CCCC2)[NH2+]C[C@H]1C ZINC000088625618 179642929 /nfs/dbraw/zinc/64/29/29/179642929.db2.gz ZRLRVQZLNYELIG-CQSZACIVSA-N 1 0 291.443 2.041 10 0 CEAERO CCn1ncnc1CN1CC(CC)(CC)[NH2+]C[C@@]1(C)CC ZINC000088625711 179643231 /nfs/dbraw/zinc/64/32/31/179643231.db2.gz ZCIFUIVGCVBJBZ-OAHLLOKOSA-N 1 0 293.459 2.431 10 0 CEAERO C[C@@H]1CCCCC[C@@H]1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000088514366 179616427 /nfs/dbraw/zinc/61/64/27/179616427.db2.gz KXCGMJCBRPSIDC-RDBSUJKOSA-N 1 0 252.402 2.461 10 0 CEAERO C[C@H]1CCCCC[C@H]1NC(=O)c1cc[nH+]c(NN)c1 ZINC000088517769 179617503 /nfs/dbraw/zinc/61/75/03/179617503.db2.gz AAOVSKAYWWWCRI-CMPLNLGQSA-N 1 0 262.357 2.066 10 0 CEAERO Cn1ccc([C@@H]([NH3+])Cc2ccnc3ccccc23)n1 ZINC000088530916 179618453 /nfs/dbraw/zinc/61/84/53/179618453.db2.gz SCFKAJGJSNOCRH-ZDUSSCGKSA-N 1 0 252.321 2.211 10 0 CEAERO C[NH2+][C@H](C)[C@H]1CCCCN1S(=O)(=O)c1ccccc1C ZINC000088714751 179656859 /nfs/dbraw/zinc/65/68/59/179656859.db2.gz BJSVRPUIYVRQGQ-ZIAGYGMSSA-N 1 0 296.436 2.146 10 0 CEAERO O=C(C[NH2+][C@@H]1CC=CCC1)N1CCc2sccc2C1 ZINC000088748741 179664092 /nfs/dbraw/zinc/66/40/92/179664092.db2.gz XIBHCXCOHOGMJC-CYBMUJFWSA-N 1 0 276.405 2.331 10 0 CEAERO O[C@H](C[NH2+][C@H]1CC=CCC1)COC1CCCCC1 ZINC000088748196 179664311 /nfs/dbraw/zinc/66/43/11/179664311.db2.gz KSLUFNFNVKHLCC-UONOGXRCSA-N 1 0 253.386 2.395 10 0 CEAERO C[NH2+]CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000088974872 179688069 /nfs/dbraw/zinc/68/80/69/179688069.db2.gz FFRGTOXFTVCGJP-UHFFFAOYSA-N 1 0 296.436 2.060 10 0 CEAERO C[NH2+]CCc1nnc([C@@H]2CCOc3ccccc32)s1 ZINC000088822576 179678085 /nfs/dbraw/zinc/67/80/85/179678085.db2.gz VHRPMPJJJHWFJX-LLVKDONJSA-N 1 0 275.377 2.214 10 0 CEAERO C[C@@H]1C[C@@H]([NH2+][C@H]2C=CS(=O)(=O)C2)CC(C)(C)C1 ZINC000088855776 179684113 /nfs/dbraw/zinc/68/41/13/179684113.db2.gz RNJVDWAKAKCPCL-GRYCIOLGSA-N 1 0 257.399 2.102 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1cc(Cl)cn1C1CC1 ZINC000089091091 179699095 /nfs/dbraw/zinc/69/90/95/179699095.db2.gz DKPLYURWNNVZDX-BXKDBHETSA-N 1 0 281.787 2.334 10 0 CEAERO CN(C(=O)c1ccccc1F)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089110119 179705265 /nfs/dbraw/zinc/70/52/65/179705265.db2.gz TWVVXUVNSYNEAZ-MFKMUULPSA-N 1 0 250.317 2.025 10 0 CEAERO CN(C(=O)Nc1cccc(F)c1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089111367 179705785 /nfs/dbraw/zinc/70/57/85/179705785.db2.gz JFUJETGNKXWPIY-ZWNOBZJWSA-N 1 0 265.332 2.417 10 0 CEAERO C[NH2+]CCCS(=O)(=O)N1CCC[C@@H](C(C)(C)C)CC1 ZINC000089047398 179693436 /nfs/dbraw/zinc/69/34/36/179693436.db2.gz IWFJXLPXRAJMCE-CYBMUJFWSA-N 1 0 290.473 2.074 10 0 CEAERO CN(C(=O)NC1CCCCC1)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089132082 179713814 /nfs/dbraw/zinc/71/38/14/179713814.db2.gz CHFMSNGACKSKQC-OCCSQVGLSA-N 1 0 267.417 2.478 10 0 CEAERO Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2C[NH3+])c(C)o1 ZINC000089131786 179713876 /nfs/dbraw/zinc/71/38/76/179713876.db2.gz CEPRALGTSDICSY-GXTWGEPZSA-N 1 0 264.369 2.486 10 0 CEAERO CCN(C(=O)c1ccc(C)o1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089114528 179709027 /nfs/dbraw/zinc/70/90/27/179709027.db2.gz UVVJQBLEDFFVJC-VXGBXAGGSA-N 1 0 250.342 2.178 10 0 CEAERO CCN(c1nc(C2CC2)ns1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089116947 179710935 /nfs/dbraw/zinc/71/09/35/179710935.db2.gz PXFNYJLJUZHSSK-GHMZBOCLSA-N 1 0 266.414 2.369 10 0 CEAERO CCCn1cccc1C(=O)N(C)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089119744 179711540 /nfs/dbraw/zinc/71/15/40/179711540.db2.gz BJASIBBVJWYCGH-ZIAGYGMSSA-N 1 0 277.412 2.488 10 0 CEAERO COCCOCc1cccc(N[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000089149943 179725096 /nfs/dbraw/zinc/72/50/96/179725096.db2.gz WYCCEQJJFKWZBT-HOCLYGCPSA-N 1 0 278.396 2.389 10 0 CEAERO CC[NH2+][C@H](CCOC)Cc1nn(C)c2ccccc12 ZINC000089177615 179742586 /nfs/dbraw/zinc/74/25/86/179742586.db2.gz FXGPFBMXHWWLIF-GFCCVEGCSA-N 1 0 261.369 2.130 10 0 CEAERO Cc1nn(C)c(CC2(C[NH2+]C3CC3)CCOCC2)c1Cl ZINC000089255907 179761275 /nfs/dbraw/zinc/76/12/75/179761275.db2.gz VCLBWZAZLRFUFU-UHFFFAOYSA-N 1 0 297.830 2.473 10 0 CEAERO Cc1cc(C[C@]2([NH3+])CCc3ccccc3C2)n(C)n1 ZINC000089190744 179749292 /nfs/dbraw/zinc/74/92/92/179749292.db2.gz YBEIRGUVQJKXPL-INIZCTEOSA-N 1 0 255.365 2.157 10 0 CEAERO C[C@H]1C[C@H](O)C[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000401758517 233184831 /nfs/dbraw/zinc/18/48/31/233184831.db2.gz QYVKBLNKFAVQCJ-RYUDHWBXSA-N 1 0 296.798 2.371 10 0 CEAERO CCn1nc(C)cc1C[C@H]([NH3+])c1ccc(OC)c(OC)c1 ZINC000089192519 179749892 /nfs/dbraw/zinc/74/98/92/179749892.db2.gz UYMSIBDASWPQNG-AWEZNQCLSA-N 1 0 289.379 2.471 10 0 CEAERO CCC[NH2+][C@H](Cc1cc(CC)nn1C)[C@@H]1CCCOC1 ZINC000089199584 179752125 /nfs/dbraw/zinc/75/21/25/179752125.db2.gz NSSBGKXSUPJONO-CZUORRHYSA-N 1 0 279.428 2.320 10 0 CEAERO CN(Cc1ccccc1F)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089450873 539716278 /nfs/dbraw/zinc/71/62/78/539716278.db2.gz YVNPXJZBLGVYID-YPMHNXCESA-N 1 0 264.344 2.159 10 0 CEAERO COc1ccc(C[C@H](C)[NH3+])c(OCc2cc(C)nn2C)c1 ZINC000089202284 179752789 /nfs/dbraw/zinc/75/27/89/179752789.db2.gz QHTILDNPNWLOHV-NSHDSACASA-N 1 0 289.379 2.206 10 0 CEAERO CC1CCC(N(C)C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089456043 539717159 /nfs/dbraw/zinc/71/71/59/539717159.db2.gz CNBJWWRWSFZFDF-FKZOYECMSA-N 1 0 252.402 2.399 10 0 CEAERO Cc1cccc(CN(C)C(=O)[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000089456309 539717555 /nfs/dbraw/zinc/71/75/55/539717555.db2.gz AMXHAXOPWYZLBG-LSDHHAIUSA-N 1 0 260.381 2.328 10 0 CEAERO CC[C@@]1(C)C[NH2+]C(C)(C)CN1Cc1cc(C)nn1C ZINC000089209571 179755333 /nfs/dbraw/zinc/75/53/33/179755333.db2.gz LKPDZXPOUHYUAJ-HNNXBMFYSA-N 1 0 264.417 2.081 10 0 CEAERO CCn1nc(C)c(Cl)c1CN1C[C@H](C)[NH2+]C[C@@H]1C1CC1 ZINC000089304747 179767490 /nfs/dbraw/zinc/76/74/90/179767490.db2.gz JESVJCSHIQCISL-GXFFZTMASA-N 1 0 296.846 2.437 10 0 CEAERO CC1(C)CCCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089482331 539719994 /nfs/dbraw/zinc/71/99/94/539719994.db2.gz ONDANTVYKRWGBS-CHWSQXEVSA-N 1 0 252.402 2.400 10 0 CEAERO C[C@H](OCc1ccccc1)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000404495830 233192510 /nfs/dbraw/zinc/19/25/10/233192510.db2.gz GDNJLDJUFZGINE-IJEWVQPXSA-N 1 0 290.407 2.035 10 0 CEAERO CCc1nn(CC)c(C[C@@H]([NH3+])[C@H]2CCCOC2)c1Cl ZINC000089361147 179772953 /nfs/dbraw/zinc/77/29/53/179772953.db2.gz WRKJRXGCMFNIAV-WDEREUQCSA-N 1 0 285.819 2.415 10 0 CEAERO CCO[C@H](C)[C@H]([NH3+])Cc1c(Cl)c(C)nn1CC ZINC000089297095 179766770 /nfs/dbraw/zinc/76/67/70/179766770.db2.gz TTXBTTMLEPFTFV-NXEZZACHSA-N 1 0 259.781 2.160 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])o1 ZINC000089452073 179792900 /nfs/dbraw/zinc/79/29/00/179792900.db2.gz WJDIKMNXLZMDKD-QJPTWQEYSA-N 1 0 250.342 2.140 10 0 CEAERO COC(=O)c1cc(C)ccc1NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089451806 179793026 /nfs/dbraw/zinc/79/30/26/179793026.db2.gz VSJPYERWIHIALN-NWDGAFQWSA-N 1 0 290.363 2.095 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1ccc(-c2nnco2)cc1 ZINC000089459631 179795125 /nfs/dbraw/zinc/79/51/25/179795125.db2.gz GUTLIWAHKSARCW-YPMHNXCESA-N 1 0 286.335 2.050 10 0 CEAERO Cc1nc2cc(NC(=O)[C@@H]3CCC[C@H]3C[NH3+])ccc2o1 ZINC000089459822 179795448 /nfs/dbraw/zinc/79/54/48/179795448.db2.gz YDCWTJLPDOWHKE-CMPLNLGQSA-N 1 0 273.336 2.450 10 0 CEAERO C[C@H]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089460785 179795973 /nfs/dbraw/zinc/79/59/73/179795973.db2.gz JERCOBGRGSNMNO-RFQIPJPRSA-N 1 0 252.402 2.304 10 0 CEAERO CCO[C@H](C)c1noc([C@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000089383648 179776125 /nfs/dbraw/zinc/77/61/25/179776125.db2.gz RRFUDGVMGMQHGZ-MXWKQRLJSA-N 1 0 253.346 2.400 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1COCC(=O)Nc1ccccc1F ZINC000089536525 179812943 /nfs/dbraw/zinc/81/29/43/179812943.db2.gz RZTAHHSGXOFTBL-NWDGAFQWSA-N 1 0 280.343 2.156 10 0 CEAERO CC[C@]1(C)C[C@H]([NH2+]C[C@@H]2CCC[C@@H]2CO)CCO1 ZINC000089492664 179803028 /nfs/dbraw/zinc/80/30/28/179803028.db2.gz PQMVYDSPSXZYLL-GBJTYRQASA-N 1 0 255.402 2.332 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1CNC(=O)C1CCCCCC1 ZINC000089500654 179804946 /nfs/dbraw/zinc/80/49/46/179804946.db2.gz RAXFYTOCLBRRJX-KGLIPLIRSA-N 1 0 252.402 2.448 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1CNc1ncnc2sccc21 ZINC000089501356 179805630 /nfs/dbraw/zinc/80/56/30/179805630.db2.gz NHLCYSHIXQXPNW-ZJUUUORDSA-N 1 0 262.382 2.478 10 0 CEAERO CC[C@H]([NH3+])[C@@H](SCCS(C)(=O)=O)c1cccs1 ZINC000104344558 185976777 /nfs/dbraw/zinc/97/67/77/185976777.db2.gz OHQFJUNOMXSNOD-GXSJLCMTSA-N 1 0 293.479 2.304 10 0 CEAERO Cc1cccc(OC[C@@H](O)C[NH2+]C[C@@](C)(O)CC(C)C)c1 ZINC000090272227 179945019 /nfs/dbraw/zinc/94/50/19/179945019.db2.gz RTXHUBRQDVANAO-RDJZCZTQSA-N 1 0 295.423 2.121 10 0 CEAERO CCCN(CC(=O)Nc1ccc(F)c(Cl)c1)C1C[NH2+]C1 ZINC000090293989 179952216 /nfs/dbraw/zinc/95/22/16/179952216.db2.gz GHNLCQLSVPYWCJ-UHFFFAOYSA-N 1 0 299.777 2.101 10 0 CEAERO CCc1ccc([C@@H](CC)[NH2+]C[C@](C)(O)CO)cc1 ZINC000090284496 179948983 /nfs/dbraw/zinc/94/89/83/179948983.db2.gz GRIJHLDFZXTBFH-CABCVRRESA-N 1 0 251.370 2.033 10 0 CEAERO CCCN(C(=O)c1ccccc1OC(F)F)C1C[NH2+]C1 ZINC000090292875 179951144 /nfs/dbraw/zinc/95/11/44/179951144.db2.gz YVGPQBQEGAJCOS-UHFFFAOYSA-N 1 0 284.306 2.112 10 0 CEAERO CCN(Cc1nc(-c2cccc(Cl)c2)no1)C1C[NH2+]C1 ZINC000090292012 179951297 /nfs/dbraw/zinc/95/12/97/179951297.db2.gz QHGBYQSMBSVSNJ-UHFFFAOYSA-N 1 0 292.770 2.184 10 0 CEAERO COc1cccc(Cl)c1CNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000234892239 539742702 /nfs/dbraw/zinc/74/27/02/539742702.db2.gz ZAQBGVUJIPZKFD-QWRGUYRKSA-N 1 0 296.798 2.340 10 0 CEAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)c1cccc(C)c1C ZINC000090331086 179962014 /nfs/dbraw/zinc/96/20/14/179962014.db2.gz DTMCDLCYHNQRMI-FVQBIDKESA-N 1 0 272.392 2.373 10 0 CEAERO CCc1ccc(C(=O)N2C[C@@H]3C[NH2+]C[C@@H]3[C@@H]2CC)cc1 ZINC000090330330 179962125 /nfs/dbraw/zinc/96/21/25/179962125.db2.gz NNNANYDXFXZILA-JYJNAYRXSA-N 1 0 272.392 2.319 10 0 CEAERO CCN(C)C(=O)CC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000130451560 365958946 /nfs/dbraw/zinc/95/89/46/365958946.db2.gz NRPJNRHXBVJYAH-GFCCVEGCSA-N 1 0 250.342 2.285 10 0 CEAERO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1c1ncccc1Cl ZINC000090338659 179966406 /nfs/dbraw/zinc/96/64/06/179966406.db2.gz AZZKRYGJVVEHCA-VHSXEESVSA-N 1 0 251.761 2.169 10 0 CEAERO COC(=O)[C@@H](C)C[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000090340268 179967881 /nfs/dbraw/zinc/96/78/81/179967881.db2.gz PDFKKSCRENBNNL-QWRGUYRKSA-N 1 0 251.326 2.155 10 0 CEAERO C[C@@H](C[NH3+])CS[C@@H](C)C(=O)NC1CCCCC1 ZINC000090351126 179972618 /nfs/dbraw/zinc/97/26/18/179972618.db2.gz RTSFNVUQHLFOFM-QWRGUYRKSA-N 1 0 258.431 2.152 10 0 CEAERO Cc1ccccc1NC(=O)CS[C@@H](C)CC[NH3+] ZINC000090354514 179973181 /nfs/dbraw/zinc/97/31/81/179973181.db2.gz ZRWJTDVEJISFKV-NSHDSACASA-N 1 0 252.383 2.404 10 0 CEAERO CC[C@@H]1CCCCN1C(=O)CS[C@H](C)CC[NH3+] ZINC000090354634 179973329 /nfs/dbraw/zinc/97/33/29/179973329.db2.gz FTEOJFNODHEDPK-VXGBXAGGSA-N 1 0 258.431 2.248 10 0 CEAERO CC[C@H]([NH3+])CSCC(=O)Nc1ccccc1OC ZINC000090356494 179975037 /nfs/dbraw/zinc/97/50/37/179975037.db2.gz PRBYSGODDAOGLW-JTQLQIEISA-N 1 0 268.382 2.104 10 0 CEAERO CC[NH2+][C@H](C)[C@@H]1CCCN(c2cccc(OC)n2)C1 ZINC000104420415 185996334 /nfs/dbraw/zinc/99/63/34/185996334.db2.gz FHJMYIFIGSSWPT-CHWSQXEVSA-N 1 0 263.385 2.305 10 0 CEAERO CCC[NH2+]Cc1cn(-c2ccc3c(c2)CCC3)nn1 ZINC000090299470 179952935 /nfs/dbraw/zinc/95/29/35/179952935.db2.gz DFJWNMIBQGXYKR-UHFFFAOYSA-N 1 0 256.353 2.256 10 0 CEAERO COc1ccc([C@@H](C)NC(=O)C2(C)CC[NH2+]CC2)cc1 ZINC000090310270 179955698 /nfs/dbraw/zinc/95/56/98/179955698.db2.gz OHIWEFYQAMLEGC-GFCCVEGCSA-N 1 0 276.380 2.262 10 0 CEAERO CC[NH2+][C@@H]1COC[C@H]1c1nc(-c2ccc(F)c(F)c2)no1 ZINC000090473797 179989860 /nfs/dbraw/zinc/98/98/60/179989860.db2.gz LKXPUBHDNSGPIU-BXKDBHETSA-N 1 0 295.289 2.107 10 0 CEAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000623765409 350106509 /nfs/dbraw/zinc/10/65/09/350106509.db2.gz SOTCSLRTAQMUIF-RYUDHWBXSA-N 1 0 276.163 2.233 10 0 CEAERO CC[NH2+][C@H]1COC[C@@H]1CN(CC)c1cccc(C)c1 ZINC000090493710 179992361 /nfs/dbraw/zinc/99/23/61/179992361.db2.gz SNZBGUCAITULLU-HOCLYGCPSA-N 1 0 262.397 2.446 10 0 CEAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000623767297 350107604 /nfs/dbraw/zinc/10/76/04/350107604.db2.gz TXNISVUSEQWPHE-RYUDHWBXSA-N 1 0 293.260 2.084 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1c1nc2cnccc2n1C1CC1 ZINC000090527316 179997915 /nfs/dbraw/zinc/99/79/15/179997915.db2.gz UISSKXGOBVFOOL-TZMCWYRMSA-N 1 0 286.379 2.248 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1c1nc2cc(C)ccc2n1C ZINC000090526770 179997996 /nfs/dbraw/zinc/99/79/96/179997996.db2.gz VIWYJKJFXCOBIN-JSGCOSHPSA-N 1 0 273.380 2.364 10 0 CEAERO Cc1cccc(Cl)c1NS(=O)(=O)C[C@@H]1CCC[NH2+]1 ZINC000090538201 179999266 /nfs/dbraw/zinc/99/92/66/179999266.db2.gz KSFCOTHOFHDARE-JTQLQIEISA-N 1 0 288.800 2.142 10 0 CEAERO Cc1cccc(Cl)c1NC(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000090537610 179999599 /nfs/dbraw/zinc/99/95/99/179999599.db2.gz YSRLMYXTWAOAPZ-UWVGGRQHSA-N 1 0 252.745 2.442 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)NC(C)(C)CC(C)(C)C ZINC000090541301 180000151 /nfs/dbraw/zinc/00/01/51/180000151.db2.gz HZPVVOYMJDJCLZ-CHWSQXEVSA-N 1 0 284.444 2.332 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccc(OCC)cc1 ZINC000090538496 180000377 /nfs/dbraw/zinc/00/03/77/180000377.db2.gz HHGPQCXZMRYISL-GJZGRUSLSA-N 1 0 292.379 2.038 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)Nc1cc(F)ccc1C ZINC000090539039 180000416 /nfs/dbraw/zinc/00/04/16/180000416.db2.gz BUDNXFTYIGUFEU-OCCSQVGLSA-N 1 0 280.343 2.087 10 0 CEAERO Cc1ccc(NC(=O)CSCC2C[NH2+]C2)cc1F ZINC000090713216 180028573 /nfs/dbraw/zinc/02/85/73/180028573.db2.gz YOSSQKRVZFAYQA-UHFFFAOYSA-N 1 0 268.357 2.025 10 0 CEAERO CC(C)n1c2ccc(F)cc2nc1[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090571725 180008026 /nfs/dbraw/zinc/00/80/26/180008026.db2.gz AJNLVORXSKUDII-ZFWWWQNUSA-N 1 0 277.343 2.372 10 0 CEAERO C[C@@]1(C(=O)Nc2cccc3ccccc32)COC[C@H]1[NH3+] ZINC000090580175 180008865 /nfs/dbraw/zinc/00/88/65/180008865.db2.gz ZVTDARXZFUDHBB-GDBMZVCRSA-N 1 0 270.332 2.142 10 0 CEAERO C[C@@]1(c2nc(C3CCC(C)(C)CC3)no2)COC[C@@H]1[NH3+] ZINC000090574140 180008882 /nfs/dbraw/zinc/00/88/82/180008882.db2.gz LRDLBOJYFTTWNG-XHDPSFHLSA-N 1 0 279.384 2.369 10 0 CEAERO C[C@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)NCC1(C)CCCC1 ZINC000104438836 186001960 /nfs/dbraw/zinc/00/19/60/186001960.db2.gz RGQAYDFWMVJDLI-AVGNSLFASA-N 1 0 252.402 2.446 10 0 CEAERO C[C@@]1(C(=O)Nc2c(Cl)cccc2Cl)COC[C@@H]1[NH3+] ZINC000090605894 180011076 /nfs/dbraw/zinc/01/10/76/180011076.db2.gz MAQSWXOEALFRCG-JOYOIKCWSA-N 1 0 289.162 2.296 10 0 CEAERO COC(C[C@H](C[NH3+])N(C)c1cc(C)cc(C)c1)OC ZINC000090625271 180015614 /nfs/dbraw/zinc/01/56/14/180015614.db2.gz FHYZBGNCWZKYFC-CQSZACIVSA-N 1 0 266.385 2.076 10 0 CEAERO COC(C[C@@H](C[NH3+])N(Cc1ccsc1)C1CC1)OC ZINC000090625154 180015982 /nfs/dbraw/zinc/01/59/82/180015982.db2.gz CZHGVURSWITUCK-ZDUSSCGKSA-N 1 0 284.425 2.049 10 0 CEAERO C[C@@H](Oc1ccc(C(N)=[NH2+])cc1F)C(F)(F)F ZINC000090673169 180021515 /nfs/dbraw/zinc/02/15/15/180021515.db2.gz NKRYEKYLZHUPCY-RXMQYKEDSA-N 1 0 250.195 2.439 10 0 CEAERO COC(=O)[C@](C)([NH3+])CCCCO[C@@H](C)C(F)(F)F ZINC000090674506 180021902 /nfs/dbraw/zinc/02/19/02/180021902.db2.gz VXCCSZGWNHQKTJ-WCBMZHEXSA-N 1 0 271.279 2.015 10 0 CEAERO Cc1c[nH+]c(NCCc2ccc3c(c2)OCCO3)c(N)c1 ZINC000090676482 180022469 /nfs/dbraw/zinc/02/24/69/180022469.db2.gz BPYCQMSAEFEVMK-UHFFFAOYSA-N 1 0 285.347 2.398 10 0 CEAERO CC(C)OCCC[NH2+]CCO[C@@H](C)C(F)(F)F ZINC000090675782 180022504 /nfs/dbraw/zinc/02/25/04/180022504.db2.gz QNUZGIJTPPLNTC-JTQLQIEISA-N 1 0 257.296 2.359 10 0 CEAERO CCC[NH2+]Cc1ccc(O[C@@H](C)C(F)(F)F)nn1 ZINC000090675422 180022559 /nfs/dbraw/zinc/02/25/59/180022559.db2.gz CSTKDENEKVBRSU-QMMMGPOBSA-N 1 0 263.263 2.306 10 0 CEAERO COc1cc2c(cc1OC)CN([C@@H]1C[NH2+]CC[C@@H]1C)CC2 ZINC000090695422 180026402 /nfs/dbraw/zinc/02/64/02/180026402.db2.gz LOEUOZUZXQGKJD-SWLSCSKDSA-N 1 0 290.407 2.060 10 0 CEAERO C[NH+](C)C[C@H]1CSCCCN1C(=O)OC1CCCC1 ZINC000090700199 180027752 /nfs/dbraw/zinc/02/77/52/180027752.db2.gz GNEBGHPFGVXBIC-LBPRGKRZSA-N 1 0 286.441 2.435 10 0 CEAERO OC[C@H]1C[C@@]1(C[NH2+]Cc1ccccc1)c1cccnc1 ZINC000090727713 180032780 /nfs/dbraw/zinc/03/27/80/180032780.db2.gz JAVPOAKAVXEKRB-IAGOWNOFSA-N 1 0 268.360 2.121 10 0 CEAERO COCCCSc1nc2c(cc1C[NH3+])CCC2 ZINC000104443059 186004037 /nfs/dbraw/zinc/00/40/37/186004037.db2.gz KMGZUUWNZPCJMC-UHFFFAOYSA-N 1 0 252.383 2.158 10 0 CEAERO [NH3+]CCCN(c1ncncc1Br)C1CCCC1 ZINC000090780577 180038738 /nfs/dbraw/zinc/03/87/38/180038738.db2.gz XEAYYGMCJOUJJP-UHFFFAOYSA-N 1 0 299.216 2.337 10 0 CEAERO COc1cc(N(CCC[NH3+])c2cccc(F)c2)ncn1 ZINC000090783530 180039488 /nfs/dbraw/zinc/03/94/88/180039488.db2.gz ZHKPEOCFUHJEQJ-UHFFFAOYSA-N 1 0 276.315 2.111 10 0 CEAERO CCOc1cc(Nc2ccc(OCC)c(C[NH3+])c2)ncn1 ZINC000090784806 180039909 /nfs/dbraw/zinc/03/99/09/180039909.db2.gz TUKIXABNBSJJOW-UHFFFAOYSA-N 1 0 288.351 2.476 10 0 CEAERO CC(C)Oc1cc(N(C)c2cccc(C[NH3+])c2)ncn1 ZINC000090786005 180040292 /nfs/dbraw/zinc/04/02/92/180040292.db2.gz WFJYMZATMAQRLN-UHFFFAOYSA-N 1 0 272.352 2.490 10 0 CEAERO COCCCS[C@H](C[NH3+])c1ccccc1OC ZINC000104446860 186004979 /nfs/dbraw/zinc/00/49/79/186004979.db2.gz CWBLNFYCSXAVAY-CYBMUJFWSA-N 1 0 255.383 2.465 10 0 CEAERO COc1ncnc(N[C@H](CC(C)C)C[NH+](C)C)c1C ZINC000090791117 180042622 /nfs/dbraw/zinc/04/26/22/180042622.db2.gz NYQSQGGNNWCXNK-GFCCVEGCSA-N 1 0 266.389 2.182 10 0 CEAERO Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)[S@](C)=O)CC2 ZINC000090841885 180043625 /nfs/dbraw/zinc/04/36/25/180043625.db2.gz VVIVNPLXCDZFSU-FABXCBLPSA-N 1 0 251.395 2.339 10 0 CEAERO CC[C@H]([NH2+]C[C@H](C)[S@](C)=O)c1ccc2c(c1)CCO2 ZINC000090841657 180043730 /nfs/dbraw/zinc/04/37/30/180043730.db2.gz FHALJTZVHSJHKV-NXPJVHOHSA-N 1 0 281.421 2.429 10 0 CEAERO C[C@H](CN1CCCCC1)[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000090874411 180049630 /nfs/dbraw/zinc/04/96/30/180049630.db2.gz BPKOKKUHVTZSPA-ZBFHGGJFSA-N 1 0 274.408 2.454 10 0 CEAERO CC[NH2+]Cc1cccc(SC[C@H](C)C(N)=O)c1 ZINC000090871364 180049657 /nfs/dbraw/zinc/04/96/57/180049657.db2.gz GHAWHWCZDFEBHZ-JTQLQIEISA-N 1 0 252.383 2.010 10 0 CEAERO OC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000090874620 180051036 /nfs/dbraw/zinc/05/10/36/180051036.db2.gz NOHUFQSHLPUCNN-IRXDYDNUSA-N 1 0 283.371 2.183 10 0 CEAERO CCN(CC)C[C@@H](C)[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000090874518 180051214 /nfs/dbraw/zinc/05/12/14/180051214.db2.gz ZPJWRSZQCBPKCY-HIFRSBDPSA-N 1 0 262.397 2.310 10 0 CEAERO CC[NH2+]Cc1cnc(C)n1C[C@H]1Cc2ccccc2O1 ZINC000090877813 180051599 /nfs/dbraw/zinc/05/15/99/180051599.db2.gz UQDXLWJFHJWBPJ-OAHLLOKOSA-N 1 0 271.364 2.305 10 0 CEAERO CC1(C)CN(C[C@@H]2Cc3ccccc3O2)C(C)(C)C[NH2+]1 ZINC000090878304 180052069 /nfs/dbraw/zinc/05/20/69/180052069.db2.gz WVYRREKHVGJKJW-AWEZNQCLSA-N 1 0 274.408 2.453 10 0 CEAERO CCC[C@@H]1C[NH2+][C@H](C)CN1C[C@@H]1Cc2ccccc2O1 ZINC000090878270 180052362 /nfs/dbraw/zinc/05/23/62/180052362.db2.gz ROAOYLVRZMYYOW-BMFZPTHFSA-N 1 0 274.408 2.453 10 0 CEAERO C[C@H]([NH3+])[C@@H]1CCCCN1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090878938 180053320 /nfs/dbraw/zinc/05/33/20/180053320.db2.gz WDKPTVFOMDRVNZ-CQDKDKBSSA-N 1 0 278.371 2.331 10 0 CEAERO Cc1cc(C[NH2+]C[C@@H]2Cc3cc(F)ccc3O2)on1 ZINC000090892583 180054672 /nfs/dbraw/zinc/05/46/72/180054672.db2.gz ZTJDAWYJEKXJQZ-LBPRGKRZSA-N 1 0 262.284 2.215 10 0 CEAERO COCCCC[NH2+]C[C@H]1Cc2cc(F)ccc2O1 ZINC000090892558 180054985 /nfs/dbraw/zinc/05/49/85/180054985.db2.gz DFNDFYORRQNCTN-CYBMUJFWSA-N 1 0 253.317 2.145 10 0 CEAERO NC(=S)[C@H]1CCCC[N@@H+]1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893194 180055144 /nfs/dbraw/zinc/05/51/44/180055144.db2.gz MRQYNBUYHBSMKA-QWHCGFSZSA-N 1 0 294.395 2.270 10 0 CEAERO CC(C)[NH2+]CCN(C)C[C@H]1Cc2cc(F)ccc2O1 ZINC000090893508 180055516 /nfs/dbraw/zinc/05/55/16/180055516.db2.gz CRUIYISVFFTQNX-CQSZACIVSA-N 1 0 266.360 2.059 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](C[NH2+]C[C@H]1CCCOC1)O2 ZINC000090897499 180057118 /nfs/dbraw/zinc/05/71/18/180057118.db2.gz DHJHANBZTLXCAU-HIFRSBDPSA-N 1 0 261.365 2.315 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C)CN1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090896149 180057179 /nfs/dbraw/zinc/05/71/79/180057179.db2.gz DKIOUADAFXJWQU-GLQYFDAESA-N 1 0 278.371 2.202 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[N@@H+]1CCC[C@H](C(N)=S)C1)O2 ZINC000090898442 180058127 /nfs/dbraw/zinc/05/81/27/180058127.db2.gz DJOKLZREJZXSEG-GXTWGEPZSA-N 1 0 290.432 2.297 10 0 CEAERO Cc1ccc2c(c1)C[C@H](Cn1ccnc1C[C@@H](C)[NH3+])O2 ZINC000090901593 180058622 /nfs/dbraw/zinc/05/86/22/180058622.db2.gz PIGCAOASTNFGED-TZMCWYRMSA-N 1 0 271.364 2.085 10 0 CEAERO OCC1CC[NH+](C[C@H]2Cc3cc(Cl)ccc3O2)CC1 ZINC000090900919 180059113 /nfs/dbraw/zinc/05/91/13/180059113.db2.gz XYCMDHSPSREQKJ-CQSZACIVSA-N 1 0 281.783 2.348 10 0 CEAERO Clc1ccc2c(c1)C[C@@H](C[NH2+][C@@H]1CCN(C3CC3)C1)O2 ZINC000090904354 180060173 /nfs/dbraw/zinc/06/01/73/180060173.db2.gz XYRWDBOBZNZPPM-HIFRSBDPSA-N 1 0 292.810 2.470 10 0 CEAERO CC(C)C[C@H](C)N(C)C(=O)c1csc(CC[NH3+])n1 ZINC000090949757 180072104 /nfs/dbraw/zinc/07/21/04/180072104.db2.gz UASYKBYMFXAVIY-JTQLQIEISA-N 1 0 269.414 2.151 10 0 CEAERO CC(C)[N@H+](C)CCCCNC(=O)c1csc([C@@H](C)N)n1 ZINC000090953363 180074212 /nfs/dbraw/zinc/07/42/12/180074212.db2.gz OWRQVEBLMUVHCN-LLVKDONJSA-N 1 0 298.456 2.013 10 0 CEAERO CN(Cc1csc(CC[NH3+])n1)Cc1ccccc1F ZINC000090958113 180074649 /nfs/dbraw/zinc/07/46/49/180074649.db2.gz VFMPDXILWCAUOW-UHFFFAOYSA-N 1 0 279.384 2.415 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+]CCCn1ccnc1 ZINC000090959296 180075455 /nfs/dbraw/zinc/07/54/55/180075455.db2.gz VOFIAUNHIILAGM-UHFFFAOYSA-N 1 0 278.381 2.083 10 0 CEAERO [NH3+][C@H](c1ccc2c(c1)NC(=O)CO2)[C@H]1Cc2ccccc21 ZINC000090983906 180080072 /nfs/dbraw/zinc/08/00/72/180080072.db2.gz CITTUNOVVUTVDM-SUMWQHHRSA-N 1 0 280.327 2.357 10 0 CEAERO [NH3+][C@@H](c1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1Cc2ccccc21 ZINC000090983809 180080111 /nfs/dbraw/zinc/08/01/11/180080111.db2.gz UZCZNFHSDHGUEO-DOMZBBRYSA-N 1 0 265.316 2.196 10 0 CEAERO [NH3+][C@H](CNC(=O)[C@@H]1Cc2ccccc21)c1ccccc1 ZINC000090985441 180080782 /nfs/dbraw/zinc/08/07/82/180080782.db2.gz PNJVJNOIBUDBLP-HZPDHXFCSA-N 1 0 266.344 2.143 10 0 CEAERO O=C(Nc1nc2c(s1)C[NH2+]CC2)[C@@H]1Cc2ccccc21 ZINC000090985333 180080949 /nfs/dbraw/zinc/08/09/49/180080949.db2.gz MUMJXBYJJVUKRI-LLVKDONJSA-N 1 0 285.372 2.067 10 0 CEAERO CC(C)[NH2+]Cc1cn(C[C@@H](C)C(N)=O)c2ccccc12 ZINC000090995520 180082806 /nfs/dbraw/zinc/08/28/06/180082806.db2.gz IRDVHBWADDMVLF-GFCCVEGCSA-N 1 0 273.380 2.261 10 0 CEAERO CC[C@@H](C)NC(=O)Cn1cccc1C[NH2+]C(C)(C)C ZINC000091001676 180083222 /nfs/dbraw/zinc/08/32/22/180083222.db2.gz DKYAZNWEEMZBRZ-GFCCVEGCSA-N 1 0 265.401 2.291 10 0 CEAERO CC[C@@H](C)NC(=O)Cn1ccc(C[NH2+]C(C)(C)C)c1 ZINC000091004219 180084019 /nfs/dbraw/zinc/08/40/19/180084019.db2.gz HSEBFYANFOFOEO-GFCCVEGCSA-N 1 0 265.401 2.291 10 0 CEAERO CC(C)OC(=O)Cn1ccc(C[NH2+]C(C)(C)C)c1 ZINC000091004156 180084030 /nfs/dbraw/zinc/08/40/30/180084030.db2.gz KMZDGFJTKNCZIB-UHFFFAOYSA-N 1 0 252.358 2.328 10 0 CEAERO C[C@H]([NH3+])Cc1cccn1Cc1nn(C)c2ccccc12 ZINC000091005315 180084635 /nfs/dbraw/zinc/08/46/35/180084635.db2.gz YLMLRGVVMGMVCY-LBPRGKRZSA-N 1 0 268.364 2.313 10 0 CEAERO [NH3+]CCc1cccn1Cc1ccn(C2CCCC2)n1 ZINC000091004989 180084653 /nfs/dbraw/zinc/08/46/53/180084653.db2.gz RXVSGHATTNBSIP-UHFFFAOYSA-N 1 0 258.369 2.349 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccn(Cc2cc(C)nn2CC)c1 ZINC000091006360 180084717 /nfs/dbraw/zinc/08/47/17/180084717.db2.gz GJIZHVMUXKTAIQ-CQSZACIVSA-N 1 0 260.385 2.341 10 0 CEAERO COc1ccc(Cn2ccc(C[C@H](C)[NH3+])c2)cc1OC ZINC000091005979 180084731 /nfs/dbraw/zinc/08/47/31/180084731.db2.gz NHKLFEFIHNBQOT-LBPRGKRZSA-N 1 0 274.364 2.443 10 0 CEAERO C[C@@H]([NH3+])Cc1ccn(C[C@H]2Cc3ccccc3O2)c1 ZINC000091006058 180084779 /nfs/dbraw/zinc/08/47/79/180084779.db2.gz ZSMMHPVYNIBRAE-IUODEOHRSA-N 1 0 256.349 2.382 10 0 CEAERO C[NH2+]Cc1cn(Cc2ccncc2)c2ncccc12 ZINC000091019779 180087695 /nfs/dbraw/zinc/08/76/95/180087695.db2.gz HUEBMMNXUKMFBI-UHFFFAOYSA-N 1 0 252.321 2.199 10 0 CEAERO CC[NH2+]Cc1cn(CCC(=O)NC(C)C)c2ncccc12 ZINC000091020104 180087731 /nfs/dbraw/zinc/08/77/31/180087731.db2.gz PTYFKRPMNOUVFQ-UHFFFAOYSA-N 1 0 288.395 2.061 10 0 CEAERO CC1CCC(OC(=O)c2csc(CC[NH3+])n2)CC1 ZINC000090939608 180068113 /nfs/dbraw/zinc/06/81/13/180068113.db2.gz LCACGUUCHACPTK-UHFFFAOYSA-N 1 0 268.382 2.380 10 0 CEAERO [NH3+]CCc1nc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)cs1 ZINC000090947545 180070183 /nfs/dbraw/zinc/07/01/83/180070183.db2.gz SDWGRGOFAYQXIP-NEPJUHHUSA-N 1 0 293.436 2.297 10 0 CEAERO Cc1nnc(C[C@H]2CSCC[NH2+]2)n1C1CCCCC1 ZINC000091129566 180100877 /nfs/dbraw/zinc/10/08/77/180100877.db2.gz NSNUVDOGIVRYRM-LBPRGKRZSA-N 1 0 280.441 2.339 10 0 CEAERO CCC1CCC(NC(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000091138590 180105376 /nfs/dbraw/zinc/10/53/76/180105376.db2.gz FOOKKNMPRZQTOA-BPCQOVAHSA-N 1 0 270.442 2.167 10 0 CEAERO C[C@H]1Cn2c(nc3cc(Br)ccc32)CC[NH2+]1 ZINC000091301898 180129085 /nfs/dbraw/zinc/12/90/85/180129085.db2.gz QIDKMDYTFBXGRW-QMMMGPOBSA-N 1 0 280.169 2.333 10 0 CEAERO CC(C)NC(=O)C[C@H](CN)[N@@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000091318868 180133463 /nfs/dbraw/zinc/13/34/63/180133463.db2.gz ZKNWVRLKNFICQI-LSDHHAIUSA-N 1 0 297.487 2.377 10 0 CEAERO CCC1(CC)CC[NH+]([C@@H](CN)CC(=O)NC(C)C)CC1 ZINC000091318725 180133563 /nfs/dbraw/zinc/13/35/63/180133563.db2.gz VPWREGMPRXKDIK-CQSZACIVSA-N 1 0 283.460 2.131 10 0 CEAERO CCCNC(=O)C[C@@H](C[NH3+])N(Cc1cccs1)C(C)C ZINC000091317319 180133750 /nfs/dbraw/zinc/13/37/50/180133750.db2.gz DLTRFZWNNWIWQC-ZDUSSCGKSA-N 1 0 297.468 2.202 10 0 CEAERO CCCC[NH+](CCCC)[C@@H](CN)CC(=O)NC(C)C ZINC000091318182 180134053 /nfs/dbraw/zinc/13/40/53/180134053.db2.gz XCFFLHNSJODEIW-CQSZACIVSA-N 1 0 271.449 2.131 10 0 CEAERO CCN(CC)C(=O)C[C@H](CN)[N@@H+]1CCC[C@H](C(C)C)CC1 ZINC000091322974 180134614 /nfs/dbraw/zinc/13/46/14/180134614.db2.gz VILWTGIDNIHQMN-JKSUJKDBSA-N 1 0 297.487 2.330 10 0 CEAERO [NH3+]C[C@@H](CC(=O)N1CCCC1)Nc1ccc(Cl)cc1 ZINC000091324905 180134699 /nfs/dbraw/zinc/13/46/99/180134699.db2.gz CKGIEGBGUICJCN-CYBMUJFWSA-N 1 0 281.787 2.092 10 0 CEAERO CCC1(C)CCN([C@@H](C[NH3+])CC(=O)NC(C)(C)C)CC1 ZINC000091321598 180134795 /nfs/dbraw/zinc/13/47/95/180134795.db2.gz QVSFKOIFYQPMLL-CYBMUJFWSA-N 1 0 283.460 2.131 10 0 CEAERO COCC[NH2+]Cc1cnn(-c2ccccn2)c1C(C)C ZINC000091335626 180136580 /nfs/dbraw/zinc/13/65/80/180136580.db2.gz YRFFXEXANONKFR-UHFFFAOYSA-N 1 0 274.368 2.127 10 0 CEAERO C[S@](=O)CCC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000091342213 180137255 /nfs/dbraw/zinc/13/72/55/180137255.db2.gz PMTPTRCSLSQDCK-WMLDXEAASA-N 1 0 251.395 2.496 10 0 CEAERO CN(Cc1cscn1)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000091360794 180141011 /nfs/dbraw/zinc/14/10/11/180141011.db2.gz GMEBOXCNRLHLCP-XBFCOCLRSA-N 1 0 293.436 2.412 10 0 CEAERO Cc1ccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3[NH2+]2)cn1 ZINC000091361170 180141060 /nfs/dbraw/zinc/14/10/60/180141060.db2.gz JBQZLBWGAOYCQA-PMPSAXMXSA-N 1 0 287.407 2.317 10 0 CEAERO CN(Cc1cnn(C)c1)C[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091362495 180141586 /nfs/dbraw/zinc/14/15/86/180141586.db2.gz OVECQLJFQNROQG-JYJNAYRXSA-N 1 0 276.428 2.163 10 0 CEAERO C([C@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCCOCC1 ZINC000091362778 180141682 /nfs/dbraw/zinc/14/16/82/180141682.db2.gz ORANLDJWAYVEMB-ZNMIVQPWSA-N 1 0 252.402 2.020 10 0 CEAERO COCC[NH2+]Cc1cc(F)ccc1SC[C@@H](C)CO ZINC000091259863 180115804 /nfs/dbraw/zinc/11/58/04/180115804.db2.gz YLMPHRMLWXKWQQ-NSHDSACASA-N 1 0 287.400 2.282 10 0 CEAERO C[C@@H]1CCC[C@@](CO)([NH2+]Cc2cncn2C2CC2)C1 ZINC000091275941 180118660 /nfs/dbraw/zinc/11/86/60/180118660.db2.gz RAWQSSCTEQGSIW-IUODEOHRSA-N 1 0 263.385 2.249 10 0 CEAERO CC(C)CN1C(=O)CCC[C@H]([NH3+])[C@@H]1c1cncn1C1CC1 ZINC000091275611 180119169 /nfs/dbraw/zinc/11/91/69/180119169.db2.gz XVUKBLCNQYDELI-XJKSGUPXSA-N 1 0 290.411 2.255 10 0 CEAERO CC[NH2+][C@@H]1COc2cc(OCc3cncn3C)ccc21 ZINC000091278468 180120897 /nfs/dbraw/zinc/12/08/97/180120897.db2.gz RREHFORVZHMTJG-CQSZACIVSA-N 1 0 273.336 2.042 10 0 CEAERO C[NH2+][C@H](C)c1ccc(F)cc1OCc1cncn1C ZINC000091278451 180121112 /nfs/dbraw/zinc/12/11/12/180121112.db2.gz ABPUVOONXMGICN-SNVBAGLBSA-N 1 0 263.316 2.419 10 0 CEAERO Cn1cncc1COc1c(Br)cccc1C[NH3+] ZINC000091278376 180121345 /nfs/dbraw/zinc/12/13/45/180121345.db2.gz MOAXGPCMLYHVQU-UHFFFAOYSA-N 1 0 296.168 2.220 10 0 CEAERO CCCn1cncc1-c1ncc2c(n1)CCC[C@H]2[NH2+]C ZINC000091278093 180121351 /nfs/dbraw/zinc/12/13/51/180121351.db2.gz KOGZXCCENVZLIO-GFCCVEGCSA-N 1 0 271.368 2.347 10 0 CEAERO Cc1cc([C@@H](C)NC(=O)C[C@@H]2CSCC[NH2+]2)c(C)o1 ZINC000091290654 180121793 /nfs/dbraw/zinc/12/17/93/180121793.db2.gz XWJXRHGHUBGAED-ZYHUDNBSSA-N 1 0 282.409 2.169 10 0 CEAERO CN(CC[C@H]1CSCC[NH2+]1)Cc1ccc(F)cc1 ZINC000091292060 180123676 /nfs/dbraw/zinc/12/36/76/180123676.db2.gz IDQHXZFJSHRTST-AWEZNQCLSA-N 1 0 268.401 2.353 10 0 CEAERO COc1ccccc1CN(C)CC[C@@H]1CSCC[NH2+]1 ZINC000091292077 180123865 /nfs/dbraw/zinc/12/38/65/180123865.db2.gz JZUMDEGQMZCNDM-CQSZACIVSA-N 1 0 280.437 2.222 10 0 CEAERO CCNc1ncccc1CN1CCC[C@H]([NH+](C)C)C1 ZINC000091432863 180153768 /nfs/dbraw/zinc/15/37/68/180153768.db2.gz FAMNRLQBGNGWPQ-AWEZNQCLSA-N 1 0 262.401 2.039 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccccc1OC)N(C)CC1CC(O)C1 ZINC000091451137 180159087 /nfs/dbraw/zinc/15/90/87/180159087.db2.gz ZHKRVUSVRHVRNO-ITMHDFIRSA-N 1 0 292.423 2.176 10 0 CEAERO CCN(C(=O)c1ccncc1Cl)[C@H]1CCC[C@@H]1C[NH3+] ZINC000091457156 180160931 /nfs/dbraw/zinc/16/09/31/180160931.db2.gz XZEQTFDKXSKHBQ-MFKMUULPSA-N 1 0 281.787 2.325 10 0 CEAERO CC(C)[NH2+]Cc1nnc(-c2ccncc2Cl)o1 ZINC000091465240 180163590 /nfs/dbraw/zinc/16/35/90/180163590.db2.gz VUALRCQAQOFIMH-UHFFFAOYSA-N 1 0 252.705 2.283 10 0 CEAERO CSC1(C(N)=S)CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000091478958 180166252 /nfs/dbraw/zinc/16/62/52/180166252.db2.gz HPUJJDUQRUSICG-NSHDSACASA-N 1 0 288.482 2.039 10 0 CEAERO C[N@H+](CCOc1ccc(Cl)cc1)CC1CC(O)C1 ZINC000091489515 180169062 /nfs/dbraw/zinc/16/90/62/180169062.db2.gz DTDXSISVAPYYHA-UHFFFAOYSA-N 1 0 269.772 2.422 10 0 CEAERO CC(C)CCC[C@@H](C)NC(=O)C[N@H+](C)CC1CC(O)C1 ZINC000091491032 180169662 /nfs/dbraw/zinc/16/96/62/180169662.db2.gz BSCQNTBRSVJWBO-WLYUNCDWSA-N 1 0 284.444 2.020 10 0 CEAERO CC1(C)C(C(=O)N2C[C@@H]3C[C@H]([NH3+])CC[C@@H]3C2)C1(C)C ZINC000091492641 180170430 /nfs/dbraw/zinc/17/04/30/180170430.db2.gz TWUQOSAUIHYVPT-GRYCIOLGSA-N 1 0 264.413 2.254 10 0 CEAERO CN(C(=O)C1C(C)(C)C1(C)C)[C@H]1CCC[C@H]1C[NH3+] ZINC000091492810 180170571 /nfs/dbraw/zinc/17/05/71/180170571.db2.gz PNVGENAHUUVWRC-QWRGUYRKSA-N 1 0 252.402 2.254 10 0 CEAERO CN(C)[C@H]1CCC[N@@H+]([C@@H](CC(N)=S)c2ccccc2)C1 ZINC000091393143 180145788 /nfs/dbraw/zinc/14/57/88/180145788.db2.gz JSAOSHKVKDYEOU-GJZGRUSLSA-N 1 0 291.464 2.430 10 0 CEAERO Cc1sc([C@@H]2C[NH2+]CCO2)nc1-c1ccco1 ZINC000091501179 180174745 /nfs/dbraw/zinc/17/47/45/180174745.db2.gz SGTSFDKSURNTDA-JTQLQIEISA-N 1 0 250.323 2.372 10 0 CEAERO CC[NH2+]Cc1cncc(N(CC(F)(F)F)C2CC2)n1 ZINC000091419805 180150913 /nfs/dbraw/zinc/15/09/13/180150913.db2.gz IRUVTPPKHUAOIG-UHFFFAOYSA-N 1 0 274.290 2.117 10 0 CEAERO CC[C@@H](C)N(CCOC)c1cncc(C[NH2+]C(C)C)n1 ZINC000091420633 180150929 /nfs/dbraw/zinc/15/09/29/180150929.db2.gz KMVIZHNOCNLTLU-CYBMUJFWSA-N 1 0 280.416 2.226 10 0 CEAERO CC(C)Cc1ccc([C@@H](O)C[NH2+]C2CC(O)C2)cc1 ZINC000091423888 180151181 /nfs/dbraw/zinc/15/11/81/180151181.db2.gz XNJDITZNDFSONB-GPANFISMSA-N 1 0 263.381 2.031 10 0 CEAERO CCC[NH2+]Cc1cncc(-n2nc(C)c(CC)c2C)n1 ZINC000091422448 180151277 /nfs/dbraw/zinc/15/12/77/180151277.db2.gz MQPPJZMXNHDDLK-UHFFFAOYSA-N 1 0 273.384 2.341 10 0 CEAERO Cc1nn(-c2cncc(C[NH2+]C(C)C)n2)c(C)c1C ZINC000091422440 180151421 /nfs/dbraw/zinc/15/14/21/180151421.db2.gz XUYQRDFUOLQCCV-UHFFFAOYSA-N 1 0 259.357 2.086 10 0 CEAERO Cc1ccccc1[C@H](O)CCN1CCC[C@H]([NH+](C)C)C1 ZINC000091430227 180152728 /nfs/dbraw/zinc/15/27/28/180152728.db2.gz WPJITMIRJBLULB-DOTOQJQBSA-N 1 0 276.424 2.445 10 0 CEAERO CCn1nc(C)c(N)c1NCC[NH+](C(C)C)C(C)C ZINC000091555587 180190475 /nfs/dbraw/zinc/19/04/75/180190475.db2.gz AMDQTDAVWQUBFB-UHFFFAOYSA-N 1 0 267.421 2.324 10 0 CEAERO CC(C)(C(=O)Cc1ccnc(N)c1)[NH+]1CCCCC1 ZINC000091563751 180192531 /nfs/dbraw/zinc/19/25/31/180192531.db2.gz RVXJWVUWKWZGRU-UHFFFAOYSA-N 1 0 261.369 2.040 10 0 CEAERO CCn1nccc1[C@H](O)C(C)(C)[NH+]1CCCCC1 ZINC000091563943 180192686 /nfs/dbraw/zinc/19/26/86/180192686.db2.gz KZNVUQAJQMWDAH-ZDUSSCGKSA-N 1 0 251.374 2.201 10 0 CEAERO CCC[NH2+][C@@H](Cc1cnccc1N)C(C)(C)N1CCCC1 ZINC000091563636 180192939 /nfs/dbraw/zinc/19/29/39/180192939.db2.gz ZWMSBCGYWMFUKW-INIZCTEOSA-N 1 0 290.455 2.449 10 0 CEAERO CC(C)([C@@H](O)CC1CCOCC1)[NH+]1CCCCC1 ZINC000091564135 180193136 /nfs/dbraw/zinc/19/31/36/180193136.db2.gz IFBNAMZMQLXYCD-AWEZNQCLSA-N 1 0 255.402 2.429 10 0 CEAERO CCCn1ncnc1C[C@@H]([NH2+]C)C(C)(C)N1CCCCC1 ZINC000091564969 180193199 /nfs/dbraw/zinc/19/31/99/180193199.db2.gz AMGJRGCBCGBITD-CQSZACIVSA-N 1 0 293.459 2.083 10 0 CEAERO C[NH2+][C@H](Cc1ccc(F)cc1)C(C)(C)N1CCOCC1 ZINC000091566660 180193886 /nfs/dbraw/zinc/19/38/86/180193886.db2.gz PCWFNXVFWXULNN-OAHLLOKOSA-N 1 0 280.387 2.067 10 0 CEAERO Cn1ccnc1[C@H](N)C(C)(C)[NH+]1CCCCCC1 ZINC000091567874 180195061 /nfs/dbraw/zinc/19/50/61/180195061.db2.gz HNCLKSUGWYNPPM-LBPRGKRZSA-N 1 0 250.390 2.075 10 0 CEAERO CCn1nc(C)c(Cl)c1C[C@H](N)[C@](C)(CC)[NH+](C)C ZINC000091569958 180195894 /nfs/dbraw/zinc/19/58/94/180195894.db2.gz OGUFSTRGZCBLIG-JSGCOSHPSA-N 1 0 286.851 2.465 10 0 CEAERO CC[C@@](C)([C@H](O)c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000091569104 180195927 /nfs/dbraw/zinc/19/59/27/180195927.db2.gz VSQODHOZGAGMDN-CABCVRRESA-N 1 0 267.369 2.468 10 0 CEAERO CCn1nccc1[C@@H](N)[C@@](C)(CC)[NH+](CC)CC ZINC000091573549 180196200 /nfs/dbraw/zinc/19/62/00/180196200.db2.gz XWJLBDMWXXZFPI-ZIAGYGMSSA-N 1 0 252.406 2.413 10 0 CEAERO CC[NH2+][C@@H](Cc1cc(C)nn1CC)[C@@](C)(CC)N(C)C ZINC000091571371 180196244 /nfs/dbraw/zinc/19/62/44/180196244.db2.gz IHLZGLCXRLQODX-JKSUJKDBSA-N 1 0 280.460 2.462 10 0 CEAERO CC[NH2+][C@@H](c1cccnc1N)[C@](C)(CC)N(C)C ZINC000091571634 180196310 /nfs/dbraw/zinc/19/63/10/180196310.db2.gz YNGSSRXCPNAAAU-JSGCOSHPSA-N 1 0 250.390 2.045 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@H](N)Cc1cccnc1N ZINC000091573720 180196461 /nfs/dbraw/zinc/19/64/61/180196461.db2.gz KTATWMONCGNDLY-HIFRSBDPSA-N 1 0 264.417 2.044 10 0 CEAERO CCC[NH2+][C@H](c1nccn1C)[C@@](C)(CC)N(C)C ZINC000091571885 180196688 /nfs/dbraw/zinc/19/66/88/180196688.db2.gz YPJHDJMNIMFYCQ-TZMCWYRMSA-N 1 0 252.406 2.191 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@H](O)CCCS(=O)(=O)CC ZINC000091573317 180196694 /nfs/dbraw/zinc/19/66/94/180196694.db2.gz PFNSQQBKZKSNSZ-ZIAGYGMSSA-N 1 0 293.473 2.073 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@H](NC)c1cnccn1 ZINC000091599174 180202565 /nfs/dbraw/zinc/20/25/65/180202565.db2.gz ISSCSNQPDVWGKT-ZIAGYGMSSA-N 1 0 250.390 2.248 10 0 CEAERO CCn1nc(C)cc1C[C@@H](N)[C@](C)(CC)[NH+]1CCCC1 ZINC000091605391 180204122 /nfs/dbraw/zinc/20/41/22/180204122.db2.gz RNSOQMMFZHNOAW-CVEARBPZSA-N 1 0 278.444 2.346 10 0 CEAERO CCn1cc([C@@H]([NH2+]C)[C@@](C)(CC)N2CCCC2)cn1 ZINC000091606806 180204356 /nfs/dbraw/zinc/20/43/56/180204356.db2.gz OESCXAUGSOQMSZ-HUUCEWRRSA-N 1 0 264.417 2.428 10 0 CEAERO CC[NH2+][C@H](c1cncnc1)[C@@](C)(CC)N1CCCC1 ZINC000091607178 180204530 /nfs/dbraw/zinc/20/45/30/180204530.db2.gz ZKCMWSIJXKJIFK-HUUCEWRRSA-N 1 0 262.401 2.392 10 0 CEAERO CC[C@@](C)([C@@H](O)Cc1cccnc1N)[NH+]1CCCCC1 ZINC000091608727 180205754 /nfs/dbraw/zinc/20/57/54/180205754.db2.gz HCNYIUUYSZWMMM-HOCLYGCPSA-N 1 0 277.412 2.222 10 0 CEAERO CC[C@@](C)([C@H]([NH2+]C)c1cnccn1)N1CCCCC1 ZINC000091609665 180205893 /nfs/dbraw/zinc/20/58/93/180205893.db2.gz VHYSBZPQZHTMLT-CABCVRRESA-N 1 0 262.401 2.392 10 0 CEAERO CC[C@](C)([C@H](O)c1ccc(OC)cc1)[NH+]1CCOCC1 ZINC000091611170 180206377 /nfs/dbraw/zinc/20/63/77/180206377.db2.gz VWXCKKIONSJPBH-HZPDHXFCSA-N 1 0 279.380 2.230 10 0 CEAERO CC[C@](C)([C@H](O)Cc1ccc(F)cc1)[NH+]1CCOCC1 ZINC000091611414 180206532 /nfs/dbraw/zinc/20/65/32/180206532.db2.gz UAZRHUVESINQFL-HZPDHXFCSA-N 1 0 281.371 2.230 10 0 CEAERO CC[C@@](C)([C@@H]([NH3+])c1ccc(F)cc1F)N1CCOCC1 ZINC000091611631 180206639 /nfs/dbraw/zinc/20/66/39/180206639.db2.gz HDSHHBWUAWNVOQ-GJZGRUSLSA-N 1 0 284.350 2.466 10 0 CEAERO CC[C@](C)([C@@H](O)Cc1ccsc1)[NH+]1CCOCC1 ZINC000091611208 180206652 /nfs/dbraw/zinc/20/66/52/180206652.db2.gz KJNDNWYFVSUOTN-UONOGXRCSA-N 1 0 269.410 2.152 10 0 CEAERO CC[C@@](C)([C@@H](O)Cc1ccsc1)[NH+]1CCOCC1 ZINC000091611207 180206675 /nfs/dbraw/zinc/20/66/75/180206675.db2.gz KJNDNWYFVSUOTN-KBPBESRZSA-N 1 0 269.410 2.152 10 0 CEAERO CCCn1cc([C@@H](N)C(CC)(CC)[NH+](C)C)cn1 ZINC000091614136 180207817 /nfs/dbraw/zinc/20/78/17/180207817.db2.gz GGLSNQJNTCDYGI-CYBMUJFWSA-N 1 0 252.406 2.413 10 0 CEAERO CC[NH2+][C@@H](c1cccnc1N)C(CC)(CC)N(C)C ZINC000091614937 180208244 /nfs/dbraw/zinc/20/82/44/180208244.db2.gz AVXXBFFYQJGHIF-ZDUSSCGKSA-N 1 0 264.417 2.435 10 0 CEAERO CC[NH2+][C@@H](c1cnccn1)C(CC)(CC)N(C)C ZINC000091614671 180208251 /nfs/dbraw/zinc/20/82/51/180208251.db2.gz RGEKQOWXNJQLPC-ZDUSSCGKSA-N 1 0 250.390 2.248 10 0 CEAERO COCC[NH2+]CC[C@](C)(O)c1ccc(Cl)cc1 ZINC000091519496 180178021 /nfs/dbraw/zinc/17/80/21/180178021.db2.gz PIEKLBACCCGSEL-ZDUSSCGKSA-N 1 0 257.761 2.174 10 0 CEAERO COCC[NH2+]CC[C@](C)(O)Cc1ccc2ccccc2n1 ZINC000091523876 180178286 /nfs/dbraw/zinc/17/82/86/180178286.db2.gz IJRXSYYMEQKBSW-KRWDZBQOSA-N 1 0 288.391 2.154 10 0 CEAERO CC[NH2+][C@@H](Cc1cnccc1N)C(C)(C)N(CC)CC ZINC000091531680 180180214 /nfs/dbraw/zinc/18/02/14/180180214.db2.gz JELLZRXBEUMMPR-HNNXBMFYSA-N 1 0 278.444 2.305 10 0 CEAERO CCCn1nccc1[C@@H](N)C(C)(C)[NH+](CC)CC ZINC000091530383 180180260 /nfs/dbraw/zinc/18/02/60/180180260.db2.gz NKXOUFRRWSEQBM-CYBMUJFWSA-N 1 0 252.406 2.413 10 0 CEAERO CCC[NH2+][C@@H](c1cnn(CC)c1)C(C)(C)N(C)C ZINC000091529568 180180799 /nfs/dbraw/zinc/18/07/99/180180799.db2.gz OHUBTGBEHAAPPH-ZDUSSCGKSA-N 1 0 252.406 2.284 10 0 CEAERO CC[NH2+][C@H](Cc1cc(CC)nn1CC)C(C)(C)N(C)C ZINC000091529101 180180871 /nfs/dbraw/zinc/18/08/71/180180871.db2.gz DYIAFKPLGJGDFR-OAHLLOKOSA-N 1 0 280.460 2.326 10 0 CEAERO Cn1nc(C[C@@H](N)C(C)(C)[NH+]2CCCC2)c2ccccc21 ZINC000091533704 180181468 /nfs/dbraw/zinc/18/14/68/180181468.db2.gz YBBUVFLBVVXFKU-MRXNPFEDSA-N 1 0 286.423 2.318 10 0 CEAERO CCC[NH2+][C@@H](Cc1cccnc1N)C(C)(C)N1CCCC1 ZINC000091536250 180182548 /nfs/dbraw/zinc/18/25/48/180182548.db2.gz XYKMDQURBTVWOA-HNNXBMFYSA-N 1 0 290.455 2.449 10 0 CEAERO COc1ccc(C)cc1CN(C)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091539642 180182929 /nfs/dbraw/zinc/18/29/29/180182929.db2.gz OPADVRBPHGRZMA-TZMCWYRMSA-N 1 0 276.380 2.089 10 0 CEAERO CC1CCC(CCNC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000091541735 180183725 /nfs/dbraw/zinc/18/37/25/180183725.db2.gz OZWHAEYDLLUYIP-CLRIEMFWSA-N 1 0 252.402 2.446 10 0 CEAERO CCc1nn(C)cc1-c1cc(OC)c(OC)cc1C[NH3+] ZINC000091543967 180185049 /nfs/dbraw/zinc/18/50/49/180185049.db2.gz GIXFRXDUWCZYEX-UHFFFAOYSA-N 1 0 275.352 2.125 10 0 CEAERO Cc1ccc(-c2nnco2)cc1NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091545799 180186644 /nfs/dbraw/zinc/18/66/44/180186644.db2.gz OQZLKSSWGYBOMF-ZYHUDNBSSA-N 1 0 286.335 2.111 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000091545980 180186864 /nfs/dbraw/zinc/18/68/64/180186864.db2.gz OGFLDGYPMVMHII-XWIASGKRSA-N 1 0 250.317 2.130 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2cc(F)c(F)cc2F)C1 ZINC000105048006 186038756 /nfs/dbraw/zinc/03/87/56/186038756.db2.gz XMEDDEMHRXIDPJ-MRVPVSSYSA-N 1 0 287.285 2.272 10 0 CEAERO Cn1nc(C[C@@H](N)C2([NH+](C)C)CCCC2)c2ccccc21 ZINC000091637197 180210884 /nfs/dbraw/zinc/21/08/84/180210884.db2.gz CTIYZALYJHHVAS-MRXNPFEDSA-N 1 0 286.423 2.318 10 0 CEAERO CCC[NH2+][C@H](Cc1cccnc1N)C1(N(C)C)CCCC1 ZINC000091638338 180212491 /nfs/dbraw/zinc/21/24/91/180212491.db2.gz WOBJVVXIEURCBD-OAHLLOKOSA-N 1 0 290.455 2.449 10 0 CEAERO CCn1ccnc1[C@H](O)C1([NH+]2CCCC2)CCCC1 ZINC000091640202 180212875 /nfs/dbraw/zinc/21/28/75/180212875.db2.gz NIFZCMUXGFVNBO-ZDUSSCGKSA-N 1 0 263.385 2.345 10 0 CEAERO CCn1ncnc1CC(=O)C1([NH+]2CCCCC2)CCCC1 ZINC000091641494 180213065 /nfs/dbraw/zinc/21/30/65/180213065.db2.gz WLZIRRBHADBDEZ-UHFFFAOYSA-N 1 0 290.411 2.208 10 0 CEAERO Nc1ncccc1C[C@@H](O)C1([NH+]2CCCCC2)CCCC1 ZINC000091641721 180213412 /nfs/dbraw/zinc/21/34/12/180213412.db2.gz QPASVYMTFQTLSZ-OAHLLOKOSA-N 1 0 289.423 2.366 10 0 CEAERO Cc1ccnc(N)c1[C@@H](O)C1([NH+]2CCCC2)CCCC1 ZINC000091640163 180213494 /nfs/dbraw/zinc/21/34/94/180213494.db2.gz JOICKBXKISLJPK-CQSZACIVSA-N 1 0 275.396 2.414 10 0 CEAERO [NH3+][C@H](CCC1CC1)C1(N2CCOCC2)CCCC1 ZINC000091643001 180213754 /nfs/dbraw/zinc/21/37/54/180213754.db2.gz UDVCLYAIUCPAEI-CQSZACIVSA-N 1 0 252.402 2.149 10 0 CEAERO [NH3+][C@@H](c1cccc(F)c1)C1(N2CCOCC2)CCCC1 ZINC000091642983 180213937 /nfs/dbraw/zinc/21/39/37/180213937.db2.gz LLSFIFSTNAQOIE-HNNXBMFYSA-N 1 0 278.371 2.471 10 0 CEAERO COc1ccc([C@H](O)C2([NH+]3CCOCC3)CCCC2)cc1 ZINC000091642662 180214140 /nfs/dbraw/zinc/21/41/40/180214140.db2.gz LULVVAJGVCGNTH-INIZCTEOSA-N 1 0 291.391 2.374 10 0 CEAERO C[NH2+][C@@H](C(C)(C)C)C1(N2CCOCC2)CCCC1 ZINC000091643173 180214196 /nfs/dbraw/zinc/21/41/96/180214196.db2.gz REZYSQBZCDCWPS-ZDUSSCGKSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@H](C)C[C@H](O)C1([NH+]2CCOCC2)CCCC1 ZINC000091642610 180214290 /nfs/dbraw/zinc/21/42/90/180214290.db2.gz VHDYYFCEBUUFMH-KBPBESRZSA-N 1 0 255.402 2.429 10 0 CEAERO CCn1nccc1[C@@H](O)C1([NH+](C)C)CCC(C)CC1 ZINC000091648372 180215354 /nfs/dbraw/zinc/21/53/54/180215354.db2.gz DOFUXMWAYLLVPZ-HNFVBEJKSA-N 1 0 265.401 2.447 10 0 CEAERO CCn1cc(C[C@H]([NH2+]C)C2(N(C)C)CCCCC2)cn1 ZINC000091647475 180215522 /nfs/dbraw/zinc/21/55/22/180215522.db2.gz XPHYGLZVOMFZPC-HNNXBMFYSA-N 1 0 278.444 2.298 10 0 CEAERO CC1CCC([C@H](O)Cc2ccccn2)([NH+](C)C)CC1 ZINC000091648361 180215586 /nfs/dbraw/zinc/21/55/86/180215586.db2.gz UAHLZHKROAYIAJ-OGVSOVDVSA-N 1 0 262.397 2.496 10 0 CEAERO C[NH2+][C@@H](Cc1cc(C)nn1C)C1(N(C)C)CCCCC1 ZINC000091647565 180215610 /nfs/dbraw/zinc/21/56/10/180215610.db2.gz IMCPBKGTRCJLTL-HNNXBMFYSA-N 1 0 278.444 2.124 10 0 CEAERO C[NH2+][C@@H](c1cncc(F)c1)C1(N2CCOCC2)CCCC1 ZINC000091646189 180215723 /nfs/dbraw/zinc/21/57/23/180215723.db2.gz QSYMJXROTZGYFP-HNNXBMFYSA-N 1 0 293.386 2.126 10 0 CEAERO CCn1cc(C[C@@H](N)C2([NH+](C)C)CCC(C)CC2)cn1 ZINC000091648800 180216361 /nfs/dbraw/zinc/21/63/61/180216361.db2.gz IMYBDUJTHRTDDX-OGVSOVDVSA-N 1 0 278.444 2.283 10 0 CEAERO C[NH2+][C@H](Cc1cnn(C)c1)[C@@]1(N(C)C)CCC[C@@H](C)C1 ZINC000091652631 180217321 /nfs/dbraw/zinc/21/73/21/180217321.db2.gz USUUXMFZERFXBH-FVQBIDKESA-N 1 0 278.444 2.061 10 0 CEAERO Cc1cc(C[C@H](N)C2([NH+](C)C)CCCCCC2)n(C)n1 ZINC000091654227 180217448 /nfs/dbraw/zinc/21/74/48/180217448.db2.gz MCFNOKHLXLCSCZ-HNNXBMFYSA-N 1 0 278.444 2.253 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CNc1nc(Cl)ncc1C ZINC000091658220 180218347 /nfs/dbraw/zinc/21/83/47/180218347.db2.gz BOGBNBDJVYEVGS-SNVBAGLBSA-N 1 0 254.765 2.335 10 0 CEAERO Cc1cc2c(n1C[C@H]1C[N@@H+]3CCC[C@@H]3CO1)CCCC2=O ZINC000091679009 180225042 /nfs/dbraw/zinc/22/50/42/180225042.db2.gz QMRFBLRLJDYHIK-ZIAGYGMSSA-N 1 0 288.391 2.179 10 0 CEAERO CCCn1nccc1[C@H](CC[NH+](CC)CC)NC ZINC000091716123 180232787 /nfs/dbraw/zinc/23/27/87/180232787.db2.gz GECQUXLCIICFRB-ZDUSSCGKSA-N 1 0 252.406 2.286 10 0 CEAERO CCN[C@H](CC[NH+](CC)CC)c1cccnc1N ZINC000091716695 180232797 /nfs/dbraw/zinc/23/27/97/180232797.db2.gz HTPIYDWBFRGABA-CYBMUJFWSA-N 1 0 250.390 2.046 10 0 CEAERO CCCN[C@H](CC[NH+](CC)CC)c1ccnn1C ZINC000091716891 180232975 /nfs/dbraw/zinc/23/29/75/180232975.db2.gz MDHCKVIMJCHDNU-CYBMUJFWSA-N 1 0 252.406 2.193 10 0 CEAERO CC[NH2+][C@@H](c1cncc2ccccc21)[C@H]1CN(C)CCO1 ZINC000091718900 180233286 /nfs/dbraw/zinc/23/32/86/180233286.db2.gz VYOAUZZVJRMOPO-SJORKVTESA-N 1 0 285.391 2.216 10 0 CEAERO CC[NH2+][C@@H](Cc1cc(C)ccc1C)[C@H]1CN(C)CCO1 ZINC000091718632 180233454 /nfs/dbraw/zinc/23/34/54/180233454.db2.gz GBDRUYJLPNLYBP-DLBZAZTESA-N 1 0 276.424 2.155 10 0 CEAERO CCC[NH2+][C@@H](c1ccccc1OC)[C@@H]1CN(C)CCO1 ZINC000091718986 180233688 /nfs/dbraw/zinc/23/36/88/180233688.db2.gz RXMZTKJEGSACFW-HOTGVXAUSA-N 1 0 278.396 2.067 10 0 CEAERO CC[NH2+][C@@H](Cc1ccc(CC)s1)[C@@H]1CN(C)CCO1 ZINC000091718762 180233752 /nfs/dbraw/zinc/23/37/52/180233752.db2.gz QCYCAZXHPCKGHK-GJZGRUSLSA-N 1 0 282.453 2.162 10 0 CEAERO CC[NH2+][C@H](CCc1ccc2c(c1)CCO2)CN(C)C ZINC000091719761 180234221 /nfs/dbraw/zinc/23/42/21/180234221.db2.gz RYCQXICPKOWMQS-OAHLLOKOSA-N 1 0 262.397 2.094 10 0 CEAERO CCC[NH2+][C@@H](CCc1ccsc1)[C@H]1CN(C)CCO1 ZINC000091719304 180234373 /nfs/dbraw/zinc/23/43/73/180234373.db2.gz JZZYEWDPZPRFTQ-LSDHHAIUSA-N 1 0 282.453 2.380 10 0 CEAERO C[NH2+][C@H](c1ccc(C)cc1C)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091720898 180235204 /nfs/dbraw/zinc/23/52/04/180235204.db2.gz HTBQKNMXDDBEED-HYVNUMGLSA-N 1 0 274.408 2.427 10 0 CEAERO [NH3+][C@H](c1ccccc1Cl)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091720245 180235356 /nfs/dbraw/zinc/23/53/56/180235356.db2.gz WZZISRHUJLNSSQ-LERXQTSPSA-N 1 0 266.772 2.203 10 0 CEAERO CCC[NH2+][C@H](Cc1ccncc1Cl)CN(C)C ZINC000091719951 180235770 /nfs/dbraw/zinc/23/57/70/180235770.db2.gz QSRRGNWCFRSILL-GFCCVEGCSA-N 1 0 255.793 2.207 10 0 CEAERO [NH3+][C@H](c1cncc2ccccc21)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091720854 180236079 /nfs/dbraw/zinc/23/60/79/180236079.db2.gz WWRJMQIMTCOEMV-XOKHGSTOSA-N 1 0 283.375 2.098 10 0 CEAERO CCc1ccc(C[C@H]([NH2+]C)[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000091720951 180237023 /nfs/dbraw/zinc/23/70/23/180237023.db2.gz ZRXKEFBWGCJUIG-FGTMMUONSA-N 1 0 288.435 2.243 10 0 CEAERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1ccc(OC(F)F)cc1 ZINC000624235576 350239253 /nfs/dbraw/zinc/23/92/53/350239253.db2.gz MOKBDUBWTBRKAT-XDTLVQLUSA-N 1 0 287.306 2.088 10 0 CEAERO CCC[C@@H](C(=O)NCc1cc(F)cc(OC)c1)[NH+](C)C ZINC000091754015 180246305 /nfs/dbraw/zinc/24/63/05/180246305.db2.gz MZYSIXIYNBPXNR-AWEZNQCLSA-N 1 0 282.359 2.181 10 0 CEAERO CCc1ccc(C(=O)NCc2ccccc2C[NH3+])o1 ZINC000091762559 180248589 /nfs/dbraw/zinc/24/85/89/180248589.db2.gz IRZXAVYVVJTXFM-UHFFFAOYSA-N 1 0 258.321 2.231 10 0 CEAERO COC(=O)COc1c(C)cc(C[NH2+][C@H]2C[C@H]2C)cc1C ZINC000105437222 186056419 /nfs/dbraw/zinc/05/64/19/186056419.db2.gz DYAMOFZFTSJLDU-YGRLFVJLSA-N 1 0 277.364 2.353 10 0 CEAERO C[C@@H]([NH3+])c1cccn1CC(=O)Nc1ccccc1F ZINC000091800080 180258716 /nfs/dbraw/zinc/25/87/16/180258716.db2.gz QOBRWDUSNRIULB-SNVBAGLBSA-N 1 0 261.300 2.286 10 0 CEAERO CCC(C)(C)NC(=O)Cn1cccc1[C@H](C)[NH2+]C ZINC000091801014 180258756 /nfs/dbraw/zinc/25/87/56/180258756.db2.gz GCZOBFIJHWAXIB-NSHDSACASA-N 1 0 251.374 2.073 10 0 CEAERO CC[NH2+][C@@H](C)c1cccn1CC(=O)NCCC(C)C ZINC000091801752 180258953 /nfs/dbraw/zinc/25/89/53/180258953.db2.gz BSWYPLJURWMMPL-ZDUSSCGKSA-N 1 0 265.401 2.321 10 0 CEAERO CC(C)[NH2+]Cc1cnc([C@H]2CN3CCC[C@@H]3CO2)s1 ZINC000091722443 180240978 /nfs/dbraw/zinc/24/09/78/180240978.db2.gz RBHHFVIWYHTFBF-DGCLKSJQSA-N 1 0 281.425 2.177 10 0 CEAERO CC[NH2+][C@H](CCC1CC1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721849 180241081 /nfs/dbraw/zinc/24/10/81/180241081.db2.gz OVHPNZUILQHEAW-KFWWJZLASA-N 1 0 252.402 2.018 10 0 CEAERO C/C(=C\c1ccccc1)C[NH2+]C[C@H]1CN(C)CCO1 ZINC000105470959 186059365 /nfs/dbraw/zinc/05/93/65/186059365.db2.gz BLSPXSPUVOTRRH-DKGMDFAASA-N 1 0 260.381 2.010 10 0 CEAERO CCN(C(=O)Cc1ccc(F)cc1)C1CCC([NH3+])CC1 ZINC000091850183 180272564 /nfs/dbraw/zinc/27/25/64/180272564.db2.gz ZYJOUDJOEQEJTO-UHFFFAOYSA-N 1 0 278.371 2.487 10 0 CEAERO C[C@@H](C(=O)NC1CCCCC1)[N@H+](C)C1CCC(=O)CC1 ZINC000091854085 180273495 /nfs/dbraw/zinc/27/34/95/180273495.db2.gz NBZREIAYLZVFAF-LBPRGKRZSA-N 1 0 280.412 2.267 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)c2ccc(N(C)C)cc2)CC1 ZINC000091854499 180274515 /nfs/dbraw/zinc/27/45/15/180274515.db2.gz UHDIUNVNGNTILC-UHFFFAOYSA-N 1 0 289.423 2.355 10 0 CEAERO CC[NH2+][C@H](C)c1ccn(CC(=O)N[C@@H](C)CC)c1 ZINC000091804912 180260066 /nfs/dbraw/zinc/26/00/66/180260066.db2.gz ITQTTYGNMRXPLN-NWDGAFQWSA-N 1 0 251.374 2.073 10 0 CEAERO CCC[NH2+][C@H](C)c1cccn1CC(=O)NC(C)(C)C ZINC000091802858 180260272 /nfs/dbraw/zinc/26/02/72/180260272.db2.gz IFRGQZUTZYDCPM-GFCCVEGCSA-N 1 0 265.401 2.463 10 0 CEAERO CCC[NH2+][C@H](C)c1ccn(CC(=O)NCC(C)C)c1 ZINC000091806599 180260805 /nfs/dbraw/zinc/26/08/05/180260805.db2.gz RQACNGBVSHMKAU-CYBMUJFWSA-N 1 0 265.401 2.321 10 0 CEAERO CC[NH2+][C@@H](CC)c1ccn(CCCC(=O)N(C)C)c1 ZINC000091817491 180262680 /nfs/dbraw/zinc/26/26/80/180262680.db2.gz RMQCUABMWWKNKF-AWEZNQCLSA-N 1 0 265.401 2.417 10 0 CEAERO CCC[NH2+][C@@H](CC)c1ccn(CCCC(=O)NC)c1 ZINC000091817750 180263108 /nfs/dbraw/zinc/26/31/08/180263108.db2.gz XKSAHPYKTIHWPC-AWEZNQCLSA-N 1 0 265.401 2.465 10 0 CEAERO CCC[C@@H]([NH2+]C)c1ccn(CC(=O)N[C@@H](C)CC)c1 ZINC000091821774 180263804 /nfs/dbraw/zinc/26/38/04/180263804.db2.gz DIMJHXAIJZMFIB-GXTWGEPZSA-N 1 0 265.401 2.463 10 0 CEAERO CCCCNC(=O)Cn1ccc([C@@H](CCC)[NH2+]C)c1 ZINC000091822003 180263849 /nfs/dbraw/zinc/26/38/49/180263849.db2.gz QSKKWVRLOHVIOR-CQSZACIVSA-N 1 0 265.401 2.465 10 0 CEAERO CCC[NH2+][C@@H](c1ccn(CCC(N)=O)c1)C(C)C ZINC000091828371 180265935 /nfs/dbraw/zinc/26/59/35/180265935.db2.gz PRXPGGZJJWIQFC-CQSZACIVSA-N 1 0 251.374 2.060 10 0 CEAERO CCC[NH2+][C@@H](c1ccn(CC(=O)NCC)c1)C1CC1 ZINC000091839358 180268237 /nfs/dbraw/zinc/26/82/37/180268237.db2.gz AJZRYPAREJASMY-OAHLLOKOSA-N 1 0 263.385 2.075 10 0 CEAERO CCOc1cc(NCc2ccc(C[NH3+])cc2F)ncn1 ZINC000090784289 539786175 /nfs/dbraw/zinc/78/61/75/539786175.db2.gz QURINZKYUNEYBH-UHFFFAOYSA-N 1 0 276.315 2.085 10 0 CEAERO CCN(C(=O)c1ccc(C)o1)C1CCC([NH3+])CC1 ZINC000091850146 180271932 /nfs/dbraw/zinc/27/19/32/180271932.db2.gz RZQFYQWHELAALM-UHFFFAOYSA-N 1 0 250.342 2.320 10 0 CEAERO CCN(C1CCC([NH3+])CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000091850514 180272174 /nfs/dbraw/zinc/27/21/74/180272174.db2.gz MXENPNWYIUEMEC-UHFFFAOYSA-N 1 0 296.436 2.276 10 0 CEAERO CCN(c1ncncc1Br)C1CCC([NH3+])CC1 ZINC000091851154 180272226 /nfs/dbraw/zinc/27/22/26/180272226.db2.gz NKTLNWAFLOVKCM-UHFFFAOYSA-N 1 0 299.216 2.335 10 0 CEAERO CCCn1cncc1[C@@H](O)C1(C[NH3+])CCC(C)CC1 ZINC000091926408 180287581 /nfs/dbraw/zinc/28/75/81/180287581.db2.gz ORWJPSQSBBCNOH-HNFVBEJKSA-N 1 0 265.401 2.482 10 0 CEAERO CC1CCC(C[NH3+])([C@H](O)c2cncn2C2CC2)CC1 ZINC000091926646 180287777 /nfs/dbraw/zinc/28/77/77/180287777.db2.gz KMRFHZGCRCNSIE-XGTXGMFGSA-N 1 0 263.385 2.407 10 0 CEAERO CCN(CC)C(=O)N(C)[C@@]1(C[NH3+])CCC[C@H](C)C1 ZINC000091961593 180292929 /nfs/dbraw/zinc/29/29/29/180292929.db2.gz POGVTFLLWKYAJQ-JSGCOSHPSA-N 1 0 255.406 2.288 10 0 CEAERO O=C(N[C@@H]1CC[NH2+]C2(CCCCC2)C1)N1CCCC1 ZINC000091968489 180294418 /nfs/dbraw/zinc/29/44/18/180294418.db2.gz YYSNYYGWMXEHCH-CYBMUJFWSA-N 1 0 265.401 2.247 10 0 CEAERO O=C(N1CCCCC1)N1CCNCc2ccccc21 ZINC000091969452 180294520 /nfs/dbraw/zinc/29/45/20/180294520.db2.gz HUDYEWXFWNTUIS-UHFFFAOYSA-N 1 0 259.353 2.202 10 0 CEAERO CN(CC[C@@H]1CCCC[NH2+]1)C(=O)N1CCCCC1 ZINC000091969168 180294586 /nfs/dbraw/zinc/29/45/86/180294586.db2.gz HQVWLAFSPPWDHP-ZDUSSCGKSA-N 1 0 253.390 2.056 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)N2CCCCC2)CC1 ZINC000091968866 180294704 /nfs/dbraw/zinc/29/47/04/180294704.db2.gz WPAXWNQXVRCREF-UHFFFAOYSA-N 1 0 253.390 2.055 10 0 CEAERO [NH3+]C[C@@]1([C@@H](O)c2c(Cl)cccc2Cl)CCOC1 ZINC000091909859 180284579 /nfs/dbraw/zinc/28/45/79/180284579.db2.gz GHJFEMINGMKYKT-RYUDHWBXSA-N 1 0 276.163 2.392 10 0 CEAERO CC[C@@](C)(C[NH3+])[C@@H](O)c1cnn(-c2ccccc2)c1 ZINC000091909365 180284581 /nfs/dbraw/zinc/28/45/81/180284581.db2.gz VYEYRIPVTAFPKU-GJZGRUSLSA-N 1 0 259.353 2.281 10 0 CEAERO COc1ccc(OC)c([C@@H](O)C2(C[NH3+])CCCC2)c1 ZINC000091908838 180284724 /nfs/dbraw/zinc/28/47/24/180284724.db2.gz DNYCMUVKAUUEDK-CQSZACIVSA-N 1 0 265.353 2.256 10 0 CEAERO [NH3+]CC1([C@@H](O)c2cnn(-c3ccccc3)c2)CCC1 ZINC000091909385 180284726 /nfs/dbraw/zinc/28/47/26/180284726.db2.gz KSTNGWSIXZEZIP-AWEZNQCLSA-N 1 0 257.337 2.035 10 0 CEAERO [NH3+]CC1([C@H](O)c2ccc(OC(F)F)cc2)CCOCC1 ZINC000091909010 180284775 /nfs/dbraw/zinc/28/47/75/180284775.db2.gz KMEDPMMGSJBQCJ-GFCCVEGCSA-N 1 0 287.306 2.077 10 0 CEAERO [NH3+]CC1([C@H](O)c2ccnc3ccccc32)CCOCC1 ZINC000091912314 180285386 /nfs/dbraw/zinc/28/53/86/180285386.db2.gz XFSSCNYBRNOVRL-OAHLLOKOSA-N 1 0 272.348 2.024 10 0 CEAERO [NH3+]CC1(C2(O)CCC(C(F)(F)F)CC2)CCOCC1 ZINC000091921502 180286517 /nfs/dbraw/zinc/28/65/17/180286517.db2.gz WBQDZEADQKMNHD-UHFFFAOYSA-N 1 0 281.318 2.226 10 0 CEAERO CC(C)[C@@H]1C[C@@](O)(C2(C[NH3+])CCCCC2)CCO1 ZINC000091918820 180286615 /nfs/dbraw/zinc/28/66/15/180286615.db2.gz OOKGIGPUSVYAES-DZGCQCFKSA-N 1 0 255.402 2.462 10 0 CEAERO C[C@@H]1CCC[C@]1(O)[C@@]1(C[NH3+])COc2ccccc2C1 ZINC000091922312 180286761 /nfs/dbraw/zinc/28/67/61/180286761.db2.gz PZRAGRLEXNNPHJ-UHOFOFEASA-N 1 0 261.365 2.118 10 0 CEAERO CC[C@H]1CCC[C@@](C[NH3+])(C2(O)CCC(=O)CC2)C1 ZINC000091924618 180287335 /nfs/dbraw/zinc/28/73/35/180287335.db2.gz GTAALNJZFYAZLA-GXTWGEPZSA-N 1 0 253.386 2.406 10 0 CEAERO CC(C)(C)OC(=O)N1CC(O)(C2(C[NH3+])CCCCCC2)C1 ZINC000091925213 180287384 /nfs/dbraw/zinc/28/73/84/180287384.db2.gz MPNKWGKXANMSIV-UHFFFAOYSA-N 1 0 298.427 2.268 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H](C)C2CCCCC2)C1 ZINC000092052638 180313200 /nfs/dbraw/zinc/31/32/00/180313200.db2.gz TXPRUDMVHMKTCW-DZGCQCFKSA-N 1 0 254.418 2.266 10 0 CEAERO CN1CCO[C@H](COc2ccc3ccccc3c2C[NH3+])C1 ZINC000092054302 180313684 /nfs/dbraw/zinc/31/36/84/180313684.db2.gz BKRYLVVBFZXANP-AWEZNQCLSA-N 1 0 286.375 2.008 10 0 CEAERO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)N2CCCCCC2)C1 ZINC000091971655 180295625 /nfs/dbraw/zinc/29/56/25/180295625.db2.gz ARZTZPJEHCJKNN-CHWSQXEVSA-N 1 0 253.390 2.042 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)N3CCCCCC3)C[C@@H]2C1 ZINC000091971557 180295695 /nfs/dbraw/zinc/29/56/95/180295695.db2.gz DSFQRJBRSSNCCB-HZSPNIEDSA-N 1 0 265.401 2.042 10 0 CEAERO C[C@H]1CCCN(C(=O)Nc2ccccc2OCC[NH3+])C1 ZINC000091972604 180295857 /nfs/dbraw/zinc/29/58/57/180295857.db2.gz MPVFQVLGURJWPI-LBPRGKRZSA-N 1 0 277.368 2.288 10 0 CEAERO C[C@H]1CCCN(C(=O)N(CCC[NH3+])Cc2cccnc2)C1 ZINC000091972545 180295930 /nfs/dbraw/zinc/29/59/30/180295930.db2.gz ZLOLPTBXIHTOFP-AWEZNQCLSA-N 1 0 290.411 2.084 10 0 CEAERO CC1CCN(C(=O)N(CC[NH3+])C2CCCC2)CC1 ZINC000091972953 180296095 /nfs/dbraw/zinc/29/60/95/180296095.db2.gz REANZDMOZWEEOS-UHFFFAOYSA-N 1 0 253.390 2.042 10 0 CEAERO CC1CCN(C(=O)N2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000091990808 180299872 /nfs/dbraw/zinc/29/98/72/180299872.db2.gz PGKGZJRWLLBDOK-UONOGXRCSA-N 1 0 265.401 2.055 10 0 CEAERO CC[NH2+]Cc1nc(C)ccc1O[C@H](C)C(=O)N[C@H](C)CC ZINC000091994791 180300872 /nfs/dbraw/zinc/30/08/72/180300872.db2.gz XYTQGEBCMVXICO-DGCLKSJQSA-N 1 0 293.411 2.182 10 0 CEAERO Cc1ccc(O)c(C[NH2+][C@@]2(CO)CCC[C@H](C)C2)n1 ZINC000091995321 180301730 /nfs/dbraw/zinc/30/17/30/180301730.db2.gz MDOFFPBSJLNLOH-NHYWBVRUSA-N 1 0 264.369 2.126 10 0 CEAERO COC[C@H](C)Oc1ccc(C)nc1C[NH2+]C1CC1 ZINC000091995786 180301809 /nfs/dbraw/zinc/30/18/09/180301809.db2.gz PMDUFLZTGBFZOE-NSHDSACASA-N 1 0 250.342 2.056 10 0 CEAERO Cc1ccc(OCCC(=O)NC(C)C)c(C[NH2+]C(C)C)n1 ZINC000091995551 180301842 /nfs/dbraw/zinc/30/18/42/180301842.db2.gz YYKMDEPZXFBJHE-UHFFFAOYSA-N 1 0 293.411 2.182 10 0 CEAERO CCC[NH2+]Cc1nc(C)ccc1OC[C@H](O)C(F)(F)F ZINC000091995211 180302105 /nfs/dbraw/zinc/30/21/05/180302105.db2.gz HNGDVWHAOQJZRZ-LBPRGKRZSA-N 1 0 292.301 2.192 10 0 CEAERO Cc1ccc(O)c(C[NH2+][C@@]2(CO)CCC[C@@H](C)C2)n1 ZINC000091995323 180302337 /nfs/dbraw/zinc/30/23/37/180302337.db2.gz MDOFFPBSJLNLOH-ABAIWWIYSA-N 1 0 264.369 2.126 10 0 CEAERO CCC[NH2+]Cc1nc(C)ccc1OCC(=O)N(C)C(C)C ZINC000091995092 180302490 /nfs/dbraw/zinc/30/24/90/180302490.db2.gz KIIAHNBPBKSUKL-UHFFFAOYSA-N 1 0 293.411 2.135 10 0 CEAERO Cc1ccc(OCc2cn3ccccc3n2)c(CC[NH3+])n1 ZINC000091999649 180303523 /nfs/dbraw/zinc/30/35/23/180303523.db2.gz YDDRLNOOJROVMH-UHFFFAOYSA-N 1 0 282.347 2.118 10 0 CEAERO CCCN(CCC)S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092115509 180327193 /nfs/dbraw/zinc/32/71/93/180327193.db2.gz CRPDOUMXVGWEQE-UHFFFAOYSA-N 1 0 288.388 2.095 10 0 CEAERO CC[NH2+]Cc1cccc(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)c1 ZINC000092113384 180327388 /nfs/dbraw/zinc/32/73/88/180327388.db2.gz BWSJOBPWBSBXPO-STQMWFEESA-N 1 0 296.436 2.073 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)N(C)[C@H](C)c1ccc(C)s1 ZINC000092134726 180332684 /nfs/dbraw/zinc/33/26/84/180332684.db2.gz DKTVMOFVYDMPAQ-MWLCHTKSSA-N 1 0 254.399 2.431 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)N(Cc1ccsc1)C1CC1 ZINC000092135460 180332771 /nfs/dbraw/zinc/33/27/71/180332771.db2.gz KUHASCBVAAXBEI-JTQLQIEISA-N 1 0 252.383 2.095 10 0 CEAERO CCC[NH2+][C@H](Cc1cc(C)nn1C)C(C)(C)OC ZINC000092140309 180333631 /nfs/dbraw/zinc/33/36/31/180333631.db2.gz BJEKEHMHXGFJHD-CYBMUJFWSA-N 1 0 253.390 2.064 10 0 CEAERO C[C@H]([NH3+])c1cccc(SC[C@H]2CN(C)CCO2)c1 ZINC000092080087 180318183 /nfs/dbraw/zinc/31/81/83/180318183.db2.gz VIYDFLDUBJJZJF-WCQYABFASA-N 1 0 266.410 2.129 10 0 CEAERO C[C@H]([NH3+])c1ccc(SC[C@@H]2CN(C)CCO2)cc1 ZINC000092080061 180318616 /nfs/dbraw/zinc/31/86/16/180318616.db2.gz DDANUUBTIGBWFN-AAEUAGOBSA-N 1 0 266.410 2.129 10 0 CEAERO COc1cc(N)ccc1NC(=O)[C@H](C)[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000092080657 180318662 /nfs/dbraw/zinc/31/86/62/180318662.db2.gz SRULROHKRCJOOG-SRVKXCTJSA-N 1 0 291.395 2.192 10 0 CEAERO C[C@H]1C[NH+](CCC(=O)Nc2cccc(N)c2)C[C@@H]1C ZINC000092080546 180318848 /nfs/dbraw/zinc/31/88/48/180318848.db2.gz GZUFMAHWLKPBSM-RYUDHWBXSA-N 1 0 261.369 2.185 10 0 CEAERO CCOC(=O)[C@@](C[N@@H+]1C[C@H](C)[C@H](C)C1)(NC(C)C)C1CC1 ZINC000092087550 180321391 /nfs/dbraw/zinc/32/13/91/180321391.db2.gz JLMRHDNXFSPWAH-VBQJREDUSA-N 1 0 296.455 2.284 10 0 CEAERO Cc1cc(Cl)ccc1NC(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092201714 180342732 /nfs/dbraw/zinc/34/27/32/180342732.db2.gz UINSHPQXTGZREW-GXSJLCMTSA-N 1 0 250.729 2.490 10 0 CEAERO COc1ccc(C)cc1[C@H](C)NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092202754 180343351 /nfs/dbraw/zinc/34/33/51/180343351.db2.gz PBPZMDCQSDYWQB-YNEHKIRRSA-N 1 0 274.364 2.084 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)Nc2cccc(OC(F)F)c2)C1 ZINC000092203045 180343356 /nfs/dbraw/zinc/34/33/56/180343356.db2.gz SUVNBJLPHRRXEQ-DTWKUNHWSA-N 1 0 268.263 2.130 10 0 CEAERO CC(C)C(=O)Nc1cccc(NC(=O)[C@H]2C=C[C@H]([NH3+])C2)c1 ZINC000092203477 180343388 /nfs/dbraw/zinc/34/33/88/180343388.db2.gz NVSGTIXMSJSPCX-RYUDHWBXSA-N 1 0 287.363 2.123 10 0 CEAERO CCN(Cc1cccc(F)c1)C(=O)[C@H]1C=C[C@H]([NH3+])C1 ZINC000092204559 180343589 /nfs/dbraw/zinc/34/35/89/180343589.db2.gz GDYGHQPQJKLSTK-JSGCOSHPSA-N 1 0 262.328 2.078 10 0 CEAERO CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1C=C[C@H]([NH3+])C1 ZINC000092204783 180343826 /nfs/dbraw/zinc/34/38/26/180343826.db2.gz XQYAVVRYGZKJIT-AAEUAGOBSA-N 1 0 264.756 2.202 10 0 CEAERO CCCOc1ccc(NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)cc1 ZINC000092207292 180344182 /nfs/dbraw/zinc/34/41/82/180344182.db2.gz ROHURGHWHUKQCB-VXGBXAGGSA-N 1 0 260.337 2.317 10 0 CEAERO C[NH2+]C1CCC(NC(=O)[C@@H]2Cc3ccccc3S2)CC1 ZINC000092232619 180348943 /nfs/dbraw/zinc/34/89/43/180348943.db2.gz RHITVLMFKMOILW-PIMMBPRGSA-N 1 0 290.432 2.350 10 0 CEAERO C[C@H](CN1CCOCC1)[NH2+]C[C@@H]1Cc2ccccc2S1 ZINC000092243293 180351503 /nfs/dbraw/zinc/35/15/03/180351503.db2.gz OBICJRLTQIWJQA-HIFRSBDPSA-N 1 0 292.448 2.014 10 0 CEAERO Cn1ccnc1C[NH2+]C[C@@H]1Cc2ccccc2S1 ZINC000092244262 180352011 /nfs/dbraw/zinc/35/20/11/180352011.db2.gz UCMGYFLLMMJCKZ-LBPRGKRZSA-N 1 0 259.378 2.227 10 0 CEAERO C[C@H](CCO)C[NH2+]C[C@@H]1Cc2ccccc2S1 ZINC000092260377 180354018 /nfs/dbraw/zinc/35/40/18/180354018.db2.gz QQOJPLWKOUFCEJ-YPMHNXCESA-N 1 0 251.395 2.312 10 0 CEAERO COCC[NH2+]C[C@H]1CCCN1CCSc1ccccc1 ZINC000092263096 180355192 /nfs/dbraw/zinc/35/51/92/180355192.db2.gz MQSWAVKZEBTMJZ-OAHLLOKOSA-N 1 0 294.464 2.479 10 0 CEAERO Cc1nn(C[C@@H]2Cc3ccccc3S2)cc1C[NH3+] ZINC000092271857 180356225 /nfs/dbraw/zinc/35/62/25/180356225.db2.gz AKCXTSWALBZQIP-ZDUSSCGKSA-N 1 0 259.378 2.367 10 0 CEAERO C[C@@H](CN1CCOCC1)[NH2+]C[C@H]1CSc2ccccc21 ZINC000092275156 180356528 /nfs/dbraw/zinc/35/65/28/180356528.db2.gz YBKBEDFWPRHGLW-KBPBESRZSA-N 1 0 292.448 2.186 10 0 CEAERO Cc1c(C[NH3+])cnn1C[C@@H]1Cc2ccccc2S1 ZINC000092271854 180356536 /nfs/dbraw/zinc/35/65/36/180356536.db2.gz OHMJPLBJXPLQAV-ZDUSSCGKSA-N 1 0 259.378 2.367 10 0 CEAERO OCCC[C@@H]1CCC[N@@H+]1Cc1ncccc1Cl ZINC000625133209 350411231 /nfs/dbraw/zinc/41/12/31/350411231.db2.gz KZYQABNEEIDHGM-NSHDSACASA-N 1 0 254.761 2.472 10 0 CEAERO C[C@@H]1CCCN(C[C@@H]2COc3ccccc32)[C@@H]1C[NH3+] ZINC000092302539 180359586 /nfs/dbraw/zinc/35/95/86/180359586.db2.gz ADVFBUXVHVEIDQ-UMVBOHGHSA-N 1 0 260.381 2.222 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)OCc2ccccc2Cl)C1 ZINC000092177203 180337418 /nfs/dbraw/zinc/33/74/18/180337418.db2.gz ZPDIDIXFOLBDNH-ONGXEEELSA-N 1 0 251.713 2.287 10 0 CEAERO Cc1ccc(Cc2noc([C@@H]3C=C[C@@H]([NH3+])C3)n2)cc1 ZINC000092181690 180338803 /nfs/dbraw/zinc/33/88/03/180338803.db2.gz SXNPRJBKLVLGTE-CHWSQXEVSA-N 1 0 255.321 2.340 10 0 CEAERO COc1ccc(Cc2noc([C@@H]3C=C[C@H]([NH3+])C3)n2)cc1 ZINC000092181544 180339053 /nfs/dbraw/zinc/33/90/53/180339053.db2.gz WTUPQNYZJKYYRX-NEPJUHHUSA-N 1 0 271.320 2.040 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](c2nc(COc3ccccc3)no2)C1 ZINC000092181736 180339088 /nfs/dbraw/zinc/33/90/88/180339088.db2.gz FBEJWKMDIGBBCQ-WDEREUQCSA-N 1 0 257.293 2.019 10 0 CEAERO CCOC(=O)CCC[N@@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000105901734 186087719 /nfs/dbraw/zinc/08/77/19/186087719.db2.gz BFJLAFQTWZPOLM-CQSZACIVSA-N 1 0 279.384 2.172 10 0 CEAERO CC[C@H]1CN(CCOCCC(C)C)CC[N@@H+]1CCOC ZINC000105914431 186089111 /nfs/dbraw/zinc/08/91/11/186089111.db2.gz ITGAJNKWLUDARW-INIZCTEOSA-N 1 0 286.460 2.092 10 0 CEAERO Cc1cnn([C@H]2CCC[N@H+](CCc3ccncc3)C2)c1 ZINC000105923428 186090623 /nfs/dbraw/zinc/09/06/23/186090623.db2.gz XTSTYFXNMYQXDF-INIZCTEOSA-N 1 0 270.380 2.466 10 0 CEAERO CC[NH2+]CCc1c(C)nn(-c2nc(C)cc(C)n2)c1C ZINC000092320493 180361718 /nfs/dbraw/zinc/36/17/18/180361718.db2.gz OPYILYWMPBDABF-UHFFFAOYSA-N 1 0 273.384 2.048 10 0 CEAERO CC[NH2+]CCc1c(C)nn(-c2cc(C)ccn2)c1C ZINC000092322734 180362350 /nfs/dbraw/zinc/36/23/50/180362350.db2.gz KTUQQOSNPZHXPM-UHFFFAOYSA-N 1 0 258.369 2.345 10 0 CEAERO Cc1nn(-c2nc3ccccc3[nH]2)c(C)c1[C@H](C)C[NH3+] ZINC000092323610 180362471 /nfs/dbraw/zinc/36/24/71/180362471.db2.gz ACVUWBREZYYYOK-SECBINFHSA-N 1 0 269.352 2.428 10 0 CEAERO CCc1nn(-c2cc(C)ccn2)c(CC)c1CC[NH3+] ZINC000092322705 180362478 /nfs/dbraw/zinc/36/24/78/180362478.db2.gz HDXRFQHVHWVVCF-UHFFFAOYSA-N 1 0 258.369 2.202 10 0 CEAERO Cc1noc(C)c1[C@H](C)[NH2+]C[C@H]1CCCCN1C ZINC000092327798 180363366 /nfs/dbraw/zinc/36/33/66/180363366.db2.gz UXWZEEMVKVOHMT-GXFFZTMASA-N 1 0 251.374 2.426 10 0 CEAERO C[C@H](C[NH3+])[C@@H](O)c1cc(Cl)c2c(c1)OCCCO2 ZINC000106205510 186103704 /nfs/dbraw/zinc/10/37/04/186103704.db2.gz XNXZYXNTJRMQIZ-PRHODGIISA-N 1 0 271.744 2.130 10 0 CEAERO Cc1nn(C)c(C)c1Cn1c(N)[nH+]c2ccccc21 ZINC000092341049 180365642 /nfs/dbraw/zinc/36/56/42/180365642.db2.gz YGAZORMHBNMVQI-UHFFFAOYSA-N 1 0 255.325 2.017 10 0 CEAERO CCC[NH2+][C@@H]1CCCN(Cc2c(C)noc2C)C1 ZINC000092342075 180365745 /nfs/dbraw/zinc/36/57/45/180365745.db2.gz LEZVCCYTYKHXEZ-CYBMUJFWSA-N 1 0 251.374 2.255 10 0 CEAERO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1c(C)noc1C ZINC000092341860 180365793 /nfs/dbraw/zinc/36/57/93/180365793.db2.gz IUOCCDLAFGIWKN-AGUYFDCRSA-N 1 0 263.385 2.396 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)C1CC1)CCC2 ZINC000092384016 180372636 /nfs/dbraw/zinc/37/26/36/180372636.db2.gz UWKMVGYLQMYRSB-CVEARBPZSA-N 1 0 261.365 2.433 10 0 CEAERO NNc1cccc(COc2cccc3cccnc32)[nH+]1 ZINC000092371623 180370782 /nfs/dbraw/zinc/37/07/82/180370782.db2.gz PJHJNAAUIGWCJK-UHFFFAOYSA-N 1 0 266.304 2.494 10 0 CEAERO CCO[C@H](C)c1nc(CC)c(CC[NH3+])c(CC)n1 ZINC000092308319 180360969 /nfs/dbraw/zinc/36/09/69/180360969.db2.gz DZCAIOSOOASMJP-SNVBAGLBSA-N 1 0 251.374 2.200 10 0 CEAERO CCC[NH2+][C@H]1c2cc(OC)ccc2CC[C@H]1S(C)(=O)=O ZINC000092388543 180374637 /nfs/dbraw/zinc/37/46/37/180374637.db2.gz DLKWWYDANKIQAM-CABCVRRESA-N 1 0 297.420 2.095 10 0 CEAERO CCOC(=O)CS[C@@H]1CCc2ccc(OC)cc2[C@@H]1[NH3+] ZINC000092389441 180375164 /nfs/dbraw/zinc/37/51/64/180375164.db2.gz GGHYTJDIKSLNQW-HIFRSBDPSA-N 1 0 295.404 2.306 10 0 CEAERO CCOC(=O)C[C@]1([NH2+]C)CCCc2ccc(OC)cc21 ZINC000092390471 180375531 /nfs/dbraw/zinc/37/55/31/180375531.db2.gz LSLLHVIXKIAXBD-MRXNPFEDSA-N 1 0 277.364 2.399 10 0 CEAERO CC(C)[C@H](CO)[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000092400278 180377890 /nfs/dbraw/zinc/37/78/90/180377890.db2.gz VWSCHXNMIZXHKM-IRXDYDNUSA-N 1 0 273.376 2.480 10 0 CEAERO COc1ccc([C@@H]2C[NH2+][C@@H](C(C)C)CO2)cc1OC ZINC000092403137 180378368 /nfs/dbraw/zinc/37/83/68/180378368.db2.gz QOQVJEFJJQYRLL-DOMZBBRYSA-N 1 0 265.353 2.389 10 0 CEAERO COCC[N@H+](Cc1cc(Cl)ccn1)[C@H](C)COC ZINC000092416480 180380978 /nfs/dbraw/zinc/38/09/78/180380978.db2.gz ZWOOMYICDGHTBD-LLVKDONJSA-N 1 0 272.776 2.218 10 0 CEAERO CNc1cc[nH+]c(CN(CCOC)CC(C)C)c1 ZINC000092418376 180381368 /nfs/dbraw/zinc/38/13/68/180381368.db2.gz GIUCEFICZIBRGE-UHFFFAOYSA-N 1 0 251.374 2.228 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@H](OCCOC(C)C)CC2 ZINC000092386482 180373430 /nfs/dbraw/zinc/37/34/30/180373430.db2.gz DAQSLHUCQYFEGE-CVEARBPZSA-N 1 0 279.380 2.451 10 0 CEAERO CCN(CCOC)[C@@]1(C[NH3+])CCCc2ccc(OC)cc21 ZINC000092384715 180373854 /nfs/dbraw/zinc/37/38/54/180373854.db2.gz KLIKHYZVEWEMGW-QGZVFWFLSA-N 1 0 292.423 2.154 10 0 CEAERO CCCOCCO[C@@H]1CCc2ccc(OC)cc2[C@@H]1[NH3+] ZINC000092386822 180374054 /nfs/dbraw/zinc/37/40/54/180374054.db2.gz SEGWJKLDCYGKRA-CVEARBPZSA-N 1 0 279.380 2.453 10 0 CEAERO CCCN1C(=O)C[C@H]([NH2+][C@@H](CC)C2CCCCC2)C1=O ZINC000107290479 186166916 /nfs/dbraw/zinc/16/69/16/186166916.db2.gz AASOMZRHSQMHBR-KBPBESRZSA-N 1 0 280.412 2.472 10 0 CEAERO Cc1noc(-c2ccccc2NC(=O)C[NH2+]C(C)(C)C)n1 ZINC000092460648 180389662 /nfs/dbraw/zinc/38/96/62/180389662.db2.gz TWNYLIHZRPBJBA-UHFFFAOYSA-N 1 0 288.351 2.372 10 0 CEAERO [NH3+][C@@H]1CCc2nnc(-c3ccc(C(F)(F)F)cc3)n2C1 ZINC000107820629 186193086 /nfs/dbraw/zinc/19/30/86/186193086.db2.gz DTSSGKKCLDGDHF-SNVBAGLBSA-N 1 0 282.269 2.237 10 0 CEAERO C[C@@H]1C[C@@H]([NH3+])Cn2cc(-c3ccc4c(c3)OCCO4)nc21 ZINC000107827593 186194670 /nfs/dbraw/zinc/19/46/70/186194670.db2.gz BJJNQEBMQHUQKW-ZYHUDNBSSA-N 1 0 285.347 2.156 10 0 CEAERO CC[N@@H+]1CC[C@@H](Cn2c3ccncc3[nH]c2=S)C1 ZINC000092514351 180399710 /nfs/dbraw/zinc/39/97/10/180399710.db2.gz XLBQMEKWXXSUBU-SNVBAGLBSA-N 1 0 262.382 2.436 10 0 CEAERO Cc1ccc([C@H](C)[NH2+]CC(C)(C)NS(C)(=O)=O)cc1C ZINC000109041143 186241006 /nfs/dbraw/zinc/24/10/06/186241006.db2.gz NVHMSQVLSOFSEB-ZDUSSCGKSA-N 1 0 298.452 2.282 10 0 CEAERO C[NH2+][C@H](Cc1nc(-c2ccccn2)no1)C(C)(C)C ZINC000109497341 186257063 /nfs/dbraw/zinc/25/70/63/186257063.db2.gz KFTJTMYFTFJGGW-LLVKDONJSA-N 1 0 260.341 2.308 10 0 CEAERO CCC[NH2+][C@H]1CCC[C@@H]1c1nc(-c2ncccn2)no1 ZINC000109505383 186257466 /nfs/dbraw/zinc/25/74/66/186257466.db2.gz AFBJMTGRJBUCGX-QWRGUYRKSA-N 1 0 273.340 2.162 10 0 CEAERO CCC[C@H]([NH3+])Cc1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000109505633 186257562 /nfs/dbraw/zinc/25/75/62/186257562.db2.gz BZGRFWMIARWZIA-NSHDSACASA-N 1 0 291.351 2.424 10 0 CEAERO CC[C@H](c1nc(Cc2nc(C)cs2)no1)[C@@H](C)[NH3+] ZINC000109510920 186258153 /nfs/dbraw/zinc/25/81/53/186258153.db2.gz TTZUWIMSICYXKR-BDAKNGLRSA-N 1 0 266.370 2.266 10 0 CEAERO COc1ccc(CN2C[C@H](C)C[NH2+]C[C@@H](C)C2)c(OC)c1 ZINC000109555076 186262539 /nfs/dbraw/zinc/26/25/39/186262539.db2.gz DFGOXAHZKVUVOF-ZIAGYGMSSA-N 1 0 292.423 2.381 10 0 CEAERO C[C@@H]([NH3+])c1cc(F)ccc1N(C)C[C@H]1CCCO1 ZINC000109568670 186263840 /nfs/dbraw/zinc/26/38/40/186263840.db2.gz WKFHKDYORHRXBB-ZYHUDNBSSA-N 1 0 252.333 2.461 10 0 CEAERO C[NH2+]Cc1cc(N(C)CCCOC)c2ccccc2n1 ZINC000109589572 186264537 /nfs/dbraw/zinc/26/45/37/186264537.db2.gz BHLUHOROMFBOHN-UHFFFAOYSA-N 1 0 273.380 2.427 10 0 CEAERO COC(=O)c1ccccc1N(C)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000109684738 186268554 /nfs/dbraw/zinc/26/85/54/186268554.db2.gz UEIZWRWFUJVUFR-OCCSQVGLSA-N 1 0 276.380 2.427 10 0 CEAERO Cc1ccc([C@H](C)[NH2+]CCc2nncn2C)c(C)c1 ZINC000109421223 186251538 /nfs/dbraw/zinc/25/15/38/186251538.db2.gz AAJSWMOJCBDEKD-ZDUSSCGKSA-N 1 0 258.369 2.325 10 0 CEAERO Nc1cccc(F)c1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000109427962 186251897 /nfs/dbraw/zinc/25/18/97/186251897.db2.gz BUILDPIIERJZEJ-CYBMUJFWSA-N 1 0 277.387 2.468 10 0 CEAERO CCC[C@H](C[NH3+])N1CCN(c2nc3ccccc3o2)CC1 ZINC000109455584 186254205 /nfs/dbraw/zinc/25/42/05/186254205.db2.gz PJZWBYWCDPBRFF-CYBMUJFWSA-N 1 0 288.395 2.077 10 0 CEAERO CCC[C@H](C(N)=S)[NH+]1CCN(C(=O)CC(C)(C)C)CC1 ZINC000109463743 186254460 /nfs/dbraw/zinc/25/44/60/186254460.db2.gz HBMFXDKQFLDWGM-GFCCVEGCSA-N 1 0 299.484 2.022 10 0 CEAERO CCc1cc(C(C)C)nc(C(C)(C)N2CC[NH2+]CC2)n1 ZINC000109476183 186254735 /nfs/dbraw/zinc/25/47/35/186254735.db2.gz MRJIBDLKQAQLIC-UHFFFAOYSA-N 1 0 276.428 2.303 10 0 CEAERO Cc1cc(C2CCCCC2)nc(CN2CC[NH2+]CC2)n1 ZINC000109475523 186254795 /nfs/dbraw/zinc/25/47/95/186254795.db2.gz UGOYSHUZTFAJOE-UHFFFAOYSA-N 1 0 274.412 2.238 10 0 CEAERO CCOC(=O)[C@](C)(N)CC[N@H+](CCC(C)C)C1CC1 ZINC000109956571 186281015 /nfs/dbraw/zinc/28/10/15/186281015.db2.gz ITGCKXUXRCYTQQ-OAHLLOKOSA-N 1 0 270.417 2.168 10 0 CEAERO C[NH2+][C@@](C)(CCC[N@H+](CCC(C)C)C1CC1)C(=O)[O-] ZINC000109999685 186281784 /nfs/dbraw/zinc/28/17/84/186281784.db2.gz GSVQZKNXDVUVGZ-HNNXBMFYSA-N 1 0 270.417 2.340 10 0 CEAERO CC[C@@H](c1nc(CC(F)(F)F)no1)[C@@H](C)[NH2+]C ZINC000110461359 186297319 /nfs/dbraw/zinc/29/73/19/186297319.db2.gz YLICIXJTYRIAKV-RNFRBKRXSA-N 1 0 251.252 2.276 10 0 CEAERO CCc1nc(-c2ccc(OC)cc2)[nH+]c(NN)c1C ZINC000110468521 186298347 /nfs/dbraw/zinc/29/83/47/186298347.db2.gz SKSOBVUVWXLCSU-UHFFFAOYSA-N 1 0 258.325 2.309 10 0 CEAERO [NH3+]Cc1cc(C(F)(F)F)ccc1O[C@H]1CCOC1 ZINC000110524727 186300825 /nfs/dbraw/zinc/30/08/25/186300825.db2.gz DTAOHRDOZNCSOO-JTQLQIEISA-N 1 0 261.243 2.332 10 0 CEAERO CC(C)(C)[NH2+]Cc1ccc(O[C@H]2CCOC2)nc1 ZINC000110532475 186301992 /nfs/dbraw/zinc/30/19/92/186301992.db2.gz ZAJIDIAHVJDEEV-LBPRGKRZSA-N 1 0 250.342 2.137 10 0 CEAERO CC(C)(C)[NH2+]Cc1cc(O[C@H]2CCOC2)ccn1 ZINC000110532396 186302093 /nfs/dbraw/zinc/30/20/93/186302093.db2.gz DMFGPZMUPDHXDW-ZDUSSCGKSA-N 1 0 250.342 2.137 10 0 CEAERO CC(C)[NH2+]CCCC(=O)Nc1nc2ccccc2[nH]1 ZINC000110538184 186302190 /nfs/dbraw/zinc/30/21/90/186302190.db2.gz XZNVRQGDPOZEQH-UHFFFAOYSA-N 1 0 260.341 2.280 10 0 CEAERO C[C@H]1CCC[C@H](NC(=O)Cc2ccc(C[NH3+])cc2)C1 ZINC000110612034 186305651 /nfs/dbraw/zinc/30/56/51/186305651.db2.gz PDCWVEJFNLPJJH-WFASDCNBSA-N 1 0 260.381 2.383 10 0 CEAERO COc1cc(N[C@@H](C)CC[NH+](C)C)c(N)cc1F ZINC000110627042 186306816 /nfs/dbraw/zinc/30/68/16/186306816.db2.gz AWTWTHMMHPYOSW-VIFPVBQESA-N 1 0 255.337 2.169 10 0 CEAERO COc1cc2c(cc1F)[nH]c(=S)n2C[C@H](C)[NH+](C)C ZINC000110628939 186306847 /nfs/dbraw/zinc/30/68/47/186306847.db2.gz NPSDKKHHDIFBDH-QMMMGPOBSA-N 1 0 283.372 2.423 10 0 CEAERO COc1cc2c(cc1F)[nH+]c(N)n2CC(F)(F)F ZINC000110629242 186307339 /nfs/dbraw/zinc/30/73/39/186307339.db2.gz MNXQYYDFAWYIAM-UHFFFAOYSA-N 1 0 263.194 2.329 10 0 CEAERO CCCOc1cc(N2CCC[N@H+](C)CC2)c(N)cc1F ZINC000110635843 186307519 /nfs/dbraw/zinc/30/75/19/186307519.db2.gz JUEMRCFVTBBOAB-UHFFFAOYSA-N 1 0 281.375 2.339 10 0 CEAERO O=C(NCC[C@H]1CC[NH2+]C1)c1cc(Cl)cn1C1CC1 ZINC000110796561 186325674 /nfs/dbraw/zinc/32/56/74/186325674.db2.gz ZJCRFCWUKMMKMW-SNVBAGLBSA-N 1 0 281.787 2.206 10 0 CEAERO C[C@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)N1CCC[C@@H](C)CC1 ZINC000110818758 186327400 /nfs/dbraw/zinc/32/74/00/186327400.db2.gz WQEBHPWCMWMTML-MQYQWHSLSA-N 1 0 252.402 2.399 10 0 CEAERO CCN[C@](C)(CC[N@H+](C)CC1CCCC1)C(=O)OCC ZINC000110840501 186328508 /nfs/dbraw/zinc/32/85/08/186328508.db2.gz QUJVHSOXXSCMAX-MRXNPFEDSA-N 1 0 284.444 2.430 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Oc1ccccc1CO)c1cccnc1 ZINC000110993141 186341275 /nfs/dbraw/zinc/34/12/75/186341275.db2.gz ZNGFMJLLVPKDMR-HOCLYGCPSA-N 1 0 272.348 2.431 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Oc1ccccc1CO)C(F)(F)F ZINC000110993330 186341285 /nfs/dbraw/zinc/34/12/85/186341285.db2.gz CXTLHCRKDTYHQJ-GXSJLCMTSA-N 1 0 263.259 2.226 10 0 CEAERO C[C@H]1C[C@@H](C(=O)N(C)CC2CCCC2)CC[C@@H]1[NH3+] ZINC000110848191 186329658 /nfs/dbraw/zinc/32/96/58/186329658.db2.gz CARYIHBXGDGIMB-UBHSHLNASA-N 1 0 252.402 2.399 10 0 CEAERO NC(=[NH2+])c1ccc(CSc2cnccn2)c(F)c1 ZINC000110913509 186333017 /nfs/dbraw/zinc/33/30/17/186333017.db2.gz CFDFINBDYPHQOK-UHFFFAOYSA-N 1 0 262.313 2.192 10 0 CEAERO CCN1CCC[C@@H]([NH2+]Cc2[nH]nnc2-c2ccccc2)C1 ZINC000110925055 186333190 /nfs/dbraw/zinc/33/31/90/186333190.db2.gz ZMDHAYLYBGGTKF-CQSZACIVSA-N 1 0 285.395 2.046 10 0 CEAERO CN(Cc1csc(-c2ccccn2)n1)[C@@H]1CCC[NH2+]C1 ZINC000110929883 186333643 /nfs/dbraw/zinc/33/36/43/186333643.db2.gz JYPOGTGMTWDLIK-CYBMUJFWSA-N 1 0 288.420 2.389 10 0 CEAERO CCN(C(=O)CN(C)[C@H]1CCC[NH2+]C1)c1ccccc1C ZINC000110930693 186333821 /nfs/dbraw/zinc/33/38/21/186333821.db2.gz WYIZMWFBLQJWTM-HNNXBMFYSA-N 1 0 289.423 2.032 10 0 CEAERO CCc1cccc(C)c1NC(=O)CN(C)[C@H]1CCC[NH2+]C1 ZINC000110932097 186333893 /nfs/dbraw/zinc/33/38/93/186333893.db2.gz YGJVAFYKCHADLK-HNNXBMFYSA-N 1 0 289.423 2.180 10 0 CEAERO CCN(Cc1ccc(-n2ccnc2)cc1)[C@H]1CCC[NH2+]C1 ZINC000110944189 186335172 /nfs/dbraw/zinc/33/51/72/186335172.db2.gz FRBXATVMBKXWAL-KRWDZBQOSA-N 1 0 284.407 2.446 10 0 CEAERO CCCN(c1cc2ccccc2c(=O)[nH]1)[C@H]1CCC[NH2+]C1 ZINC000110948164 186335451 /nfs/dbraw/zinc/33/54/51/186335451.db2.gz KDNKDKISZFPNQH-AWEZNQCLSA-N 1 0 285.391 2.497 10 0 CEAERO CCCN(c1ccc(S(C)(=O)=O)cc1)[C@@H]1CCC[NH2+]C1 ZINC000110947821 186335539 /nfs/dbraw/zinc/33/55/39/186335539.db2.gz ZIKFJPYYZJDVIE-CQSZACIVSA-N 1 0 296.436 2.059 10 0 CEAERO CCN(CC(=O)Nc1ccccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000110943682 186335567 /nfs/dbraw/zinc/33/55/67/186335567.db2.gz YACPGXZJBQUDMV-LBPRGKRZSA-N 1 0 295.814 2.352 10 0 CEAERO C[NH2+][C@H](C)c1ccc(C)cc1OCCC(=O)N(C)C ZINC000110959494 186336271 /nfs/dbraw/zinc/33/62/71/186336271.db2.gz IHDBETZZQFDENF-GFCCVEGCSA-N 1 0 264.369 2.133 10 0 CEAERO CCN(CC)C(=O)COc1cc(C)ccc1[C@H](C)[NH3+] ZINC000110958620 186336777 /nfs/dbraw/zinc/33/67/77/186336777.db2.gz OJVRVPLKYBXEAE-LBPRGKRZSA-N 1 0 264.369 2.262 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(C)cc1OCC(=O)NCC(C)C ZINC000110959970 186336834 /nfs/dbraw/zinc/33/68/34/186336834.db2.gz FBWXCKVGACOBFG-ZDUSSCGKSA-N 1 0 278.396 2.426 10 0 CEAERO CCOCC[NH2+]CCOc1ccccc1SC ZINC000110985815 186338627 /nfs/dbraw/zinc/33/86/27/186338627.db2.gz XILRFYJEHWFGBG-UHFFFAOYSA-N 1 0 255.383 2.413 10 0 CEAERO CC[C@@H]1CN(Cc2ccc(N)cc2Cl)CC[N@@H+]1C ZINC000110704281 186314186 /nfs/dbraw/zinc/31/41/86/186314186.db2.gz OYVPNXNBMRLLKW-CYBMUJFWSA-N 1 0 267.804 2.448 10 0 CEAERO CC[C@H]1CN(Cc2cc(C=O)ccc2OC)CC[N@@H+]1C ZINC000110729152 186317020 /nfs/dbraw/zinc/31/70/20/186317020.db2.gz VPIGTOURXVTHLA-HNNXBMFYSA-N 1 0 276.380 2.034 10 0 CEAERO CC[C@H]1CN(c2nc(C(C)(C)C)c(CO)s2)CC[N@@H+]1C ZINC000110760508 186322873 /nfs/dbraw/zinc/32/28/73/186322873.db2.gz STEXNBWZVYTMOV-NSHDSACASA-N 1 0 297.468 2.463 10 0 CEAERO CCC[N@H+](CCC(OCC)OCC)CCN(C)C ZINC000110785413 186324458 /nfs/dbraw/zinc/32/44/58/186324458.db2.gz FLJIPSUDMUCTIW-UHFFFAOYSA-N 1 0 260.422 2.049 10 0 CEAERO CCOc1cc(NC[C@H]2CCC[N@H+](C)C2)ccc1N ZINC000111054193 186348328 /nfs/dbraw/zinc/34/83/28/186348328.db2.gz GNVNYPDFKQIJRH-GFCCVEGCSA-N 1 0 263.385 2.421 10 0 CEAERO O[C@H]1C[NH2+]C[C@H]1Sc1ncc(C(F)(F)F)cc1Cl ZINC000111060270 186348979 /nfs/dbraw/zinc/34/89/79/186348979.db2.gz UESFULGRNQUCKT-JGVFFNPUSA-N 1 0 298.717 2.179 10 0 CEAERO CCOc1cc(N(C)[C@@H]2CCC[N@H+](C)C2)ccc1N ZINC000111055652 186349311 /nfs/dbraw/zinc/34/93/11/186349311.db2.gz HSGREXHYTBMVQR-CYBMUJFWSA-N 1 0 263.385 2.198 10 0 CEAERO O[C@@H]1C[NH2+]C[C@H]1Oc1ccc(Oc2ccccc2)cc1 ZINC000111059755 186349576 /nfs/dbraw/zinc/34/95/76/186349576.db2.gz PGWPVWNQSXHYBB-HZPDHXFCSA-N 1 0 271.316 2.190 10 0 CEAERO CC(C)[C@@H]([NH2+][C@@H]1CCC(=O)NC1)c1cccs1 ZINC000111018741 186345352 /nfs/dbraw/zinc/34/53/52/186345352.db2.gz CAPSGCJBRLSWKM-ZWNOBZJWSA-N 1 0 252.383 2.313 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCCc2cccs2)C1 ZINC000130791272 365992294 /nfs/dbraw/zinc/99/22/94/365992294.db2.gz PUBSLEJXSZRZSJ-OCCSQVGLSA-N 1 0 295.452 2.319 10 0 CEAERO COCCN([C@H](C[NH3+])c1cccc(F)c1F)C1CC1 ZINC000111039635 186347018 /nfs/dbraw/zinc/34/70/18/186347018.db2.gz CIKSFADIJPDRSY-CYBMUJFWSA-N 1 0 270.323 2.075 10 0 CEAERO CCNc1cc(C(=O)N(C)CCC[NH+](C)C)cc(Cl)n1 ZINC000111151830 186360392 /nfs/dbraw/zinc/36/03/92/186360392.db2.gz BJDNZZSNXAOCCB-UHFFFAOYSA-N 1 0 298.818 2.191 10 0 CEAERO COc1ccccc1[C@H]([C@H](C)[NH3+])N(C)C[C@@H]1CCCOC1 ZINC000111154471 186361105 /nfs/dbraw/zinc/36/11/05/186361105.db2.gz WMGKHJZKGBXIFK-ZQIUZPCESA-N 1 0 292.423 2.442 10 0 CEAERO CC[C@@H]1CC[C@@H](O)[C@H]([N@H+](C)CC2CCOCC2)C1 ZINC000111168814 186363531 /nfs/dbraw/zinc/36/35/31/186363531.db2.gz SIQBZKBGASBWRB-BPLDGKMQSA-N 1 0 255.402 2.284 10 0 CEAERO O=C(C[NH2+]C[C@@H]1C[C@H]2CC[C@@H]1C2)N1CCCCCC1 ZINC000111087474 186351869 /nfs/dbraw/zinc/35/18/69/186351869.db2.gz DOAAJSOIIFOVGN-ZNMIVQPWSA-N 1 0 264.413 2.415 10 0 CEAERO CCCOCCO[C@@H](C[NH2+]C)c1cccc(OC)c1 ZINC000111107071 186352927 /nfs/dbraw/zinc/35/29/27/186352927.db2.gz OHACIDRMYWDOAI-HNNXBMFYSA-N 1 0 267.369 2.399 10 0 CEAERO CC[NH2+][C@@H]1c2ccc(Sc3ccncn3)cc2NC1=O ZINC000111114543 186353230 /nfs/dbraw/zinc/35/32/30/186353230.db2.gz BKPMXOXRLZMIEP-CYBMUJFWSA-N 1 0 286.360 2.231 10 0 CEAERO CCOCCN(CC)[C@H](C[NH3+])c1ccc(C)s1 ZINC000111116625 186353284 /nfs/dbraw/zinc/35/32/84/186353284.db2.gz UFGCADMISKRJKR-GFCCVEGCSA-N 1 0 256.415 2.415 10 0 CEAERO CCOCCN(CC)[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000111116609 186353594 /nfs/dbraw/zinc/35/35/94/186353594.db2.gz VKQUWXOWVRTRMK-UKRRQHHQSA-N 1 0 250.386 2.433 10 0 CEAERO COC(C[NH2+]C[C@@H](c1ccccc1)N1CCCC1)OC ZINC000111111797 186354129 /nfs/dbraw/zinc/35/41/29/186354129.db2.gz RWZAKIMSLXSGAA-HNNXBMFYSA-N 1 0 278.396 2.032 10 0 CEAERO CC[NH2+]Cc1c(N(CC)CCOCC)nc2ccccn21 ZINC000111120855 186354300 /nfs/dbraw/zinc/35/43/00/186354300.db2.gz MIBJNFABMNPRPW-UHFFFAOYSA-N 1 0 290.411 2.307 10 0 CEAERO CCOCCN(CC)[C@H](C[NH3+])c1ccc(F)c(F)c1 ZINC000111117683 186354902 /nfs/dbraw/zinc/35/49/02/186354902.db2.gz NPEWGKSVROGVHD-CQSZACIVSA-N 1 0 272.339 2.323 10 0 CEAERO CCOCCN(CC)c1cc(C[NH2+]C(C)C)ccn1 ZINC000111123559 186354936 /nfs/dbraw/zinc/35/49/36/186354936.db2.gz KONFNMOBEVXOTG-UHFFFAOYSA-N 1 0 265.401 2.442 10 0 CEAERO CCOCCN(CC)[C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000111117772 186355164 /nfs/dbraw/zinc/35/51/64/186355164.db2.gz HZRKWFLEUZECPP-ZDUSSCGKSA-N 1 0 290.329 2.462 10 0 CEAERO CCOCCN(CC)[C@H](C[NH3+])c1cc(OC)cc(OC)c1 ZINC000111117824 186355390 /nfs/dbraw/zinc/35/53/90/186355390.db2.gz SOKZQCGLJLAIEP-MRXNPFEDSA-N 1 0 296.411 2.062 10 0 CEAERO CCOCCN(CC)[C@@H](C[NH3+])c1ccc(OCC)cc1 ZINC000111117862 186355426 /nfs/dbraw/zinc/35/54/26/186355426.db2.gz DTHDOHJENNTTBG-INIZCTEOSA-N 1 0 280.412 2.444 10 0 CEAERO CCOCCN(CC)[C@@H](c1ccsc1)[C@@H](C)[NH3+] ZINC000111116960 186355541 /nfs/dbraw/zinc/35/55/41/186355541.db2.gz REXBJUORJKMSCS-DGCLKSJQSA-N 1 0 256.415 2.495 10 0 CEAERO C[NH+](C)C[C@H](NC(=O)c1cccnc1)c1ccccc1 ZINC000111128204 186356547 /nfs/dbraw/zinc/35/65/47/186356547.db2.gz GKQZFXAFEUOFAO-HNNXBMFYSA-N 1 0 269.348 2.114 10 0 CEAERO CN(CCC[NH+](C)C)c1ccc(Cl)cc1C(N)=S ZINC000111139034 186357486 /nfs/dbraw/zinc/35/74/86/186357486.db2.gz COZJLSCTHPPHFZ-UHFFFAOYSA-N 1 0 285.844 2.362 10 0 CEAERO Cc1ccccc1[C@H](O)CCN(C)CCC[NH+](C)C ZINC000111148729 186359305 /nfs/dbraw/zinc/35/93/05/186359305.db2.gz GFSSBIMARJRDSW-MRXNPFEDSA-N 1 0 264.413 2.302 10 0 CEAERO CCc1ccc([C@H](O)[C@H](C)N(C)CC[NH+](C)C)cc1 ZINC000111142673 186359523 /nfs/dbraw/zinc/35/95/23/186359523.db2.gz HBHJIXUJYNVKNJ-XJKSGUPXSA-N 1 0 264.413 2.164 10 0 CEAERO C[C@H]([NH3+])[C@H](c1ccsc1)N(C)C[C@@H]1CCCOC1 ZINC000111154971 186359853 /nfs/dbraw/zinc/35/98/53/186359853.db2.gz RLLVKXUCDXPRHV-SGMGOOAPSA-N 1 0 268.426 2.495 10 0 CEAERO COc1cccc([C@H]([C@H](C)[NH3+])N(C)C[C@@H]2CCCOC2)c1 ZINC000111154615 186360068 /nfs/dbraw/zinc/36/00/68/186360068.db2.gz BCSQAZUBAGCSNV-ZQIUZPCESA-N 1 0 292.423 2.442 10 0 CEAERO Cc1cc(C)c(C[NH3+])c(N(C)C[C@H]2CCCOC2)n1 ZINC000111153699 186360169 /nfs/dbraw/zinc/36/01/69/186360169.db2.gz FKNBCKNBPTZQEI-CYBMUJFWSA-N 1 0 263.385 2.020 10 0 CEAERO C[NH2+]Cc1nc(N(C)CC2CCOCC2)ccc1Cl ZINC000111174429 186364912 /nfs/dbraw/zinc/36/49/12/186364912.db2.gz CTJYTSUEDHVHMQ-UHFFFAOYSA-N 1 0 283.803 2.317 10 0 CEAERO C[N@H+](C[C@@H]1CCCOC1)C[C@@](C)(CN)c1ccccc1 ZINC000111172048 186365787 /nfs/dbraw/zinc/36/57/87/186365787.db2.gz CBUBQCJFNQCSRL-DOTOQJQBSA-N 1 0 276.424 2.261 10 0 CEAERO CC(C)C[NH2+]C[C@H](C)Sc1nnc(N(C)C)s1 ZINC000111317294 186396251 /nfs/dbraw/zinc/39/62/51/186396251.db2.gz VWZLZTMJPUEIQY-VIFPVBQESA-N 1 0 274.459 2.330 10 0 CEAERO COCC[NH2+][C@@H](c1nc(C)c(C)s1)[C@@H]1CCCOC1 ZINC000111322385 186397427 /nfs/dbraw/zinc/39/74/27/186397427.db2.gz AIMKZWDIOUULMQ-CHWSQXEVSA-N 1 0 284.425 2.464 10 0 CEAERO [NH3+]C[C@H]([C@H]1CCCOC1)N1CCC2(CCCC2)CC1 ZINC000111321275 186397448 /nfs/dbraw/zinc/39/74/48/186397448.db2.gz DNMMEBDBHHPMAL-LSDHHAIUSA-N 1 0 266.429 2.397 10 0 CEAERO CN(c1ccccc1F)[C@@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111321112 186397726 /nfs/dbraw/zinc/39/77/26/186397726.db2.gz QXIZIPBWXKYEFU-RISCZKNCSA-N 1 0 252.333 2.016 10 0 CEAERO COCC[NH2+][C@H](c1nc2c(s1)CCC2)[C@H]1CCCOC1 ZINC000111322363 186397807 /nfs/dbraw/zinc/39/78/07/186397807.db2.gz PPHKAWXWDQZDMB-FZMZJTMJSA-N 1 0 296.436 2.336 10 0 CEAERO CC[NH2+]C[C@@]1(CN(CC)Cc2ccncc2)CCCOC1 ZINC000111326792 186398287 /nfs/dbraw/zinc/39/82/87/186398287.db2.gz NAUUCNCAGVRWHL-QGZVFWFLSA-N 1 0 291.439 2.310 10 0 CEAERO C[NH2+]C[C@]1(CN(C)Cc2cccc(F)c2)CCCOC1 ZINC000111324517 186398442 /nfs/dbraw/zinc/39/84/42/186398442.db2.gz YDDFTRLIAGYMBZ-INIZCTEOSA-N 1 0 280.387 2.274 10 0 CEAERO Cc1cc(C)cc(N(C)C[C@]2(C[NH3+])CCCOC2)c1 ZINC000111327511 186398597 /nfs/dbraw/zinc/39/85/97/186398597.db2.gz XPSROQIRQHDVLK-MRXNPFEDSA-N 1 0 262.397 2.495 10 0 CEAERO CC[NH2+]C[C@@]1(CN(C)Cc2csc(C)n2)CCCOC1 ZINC000111326400 186398664 /nfs/dbraw/zinc/39/86/64/186398664.db2.gz FOJOJXSMAWPWIZ-OAHLLOKOSA-N 1 0 297.468 2.290 10 0 CEAERO c1ncn(C[C@@H]2CCC[N@H+](Cc3ccc4c(c3)CCO4)C2)n1 ZINC000111229139 186372134 /nfs/dbraw/zinc/37/21/34/186372134.db2.gz JGGDKWCSKLOJMD-OAHLLOKOSA-N 1 0 298.390 2.125 10 0 CEAERO Cc1ccc(CN(C)C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)o1 ZINC000111243671 186375970 /nfs/dbraw/zinc/37/59/70/186375970.db2.gz RZEHBMDCFJMNMY-LBPRGKRZSA-N 1 0 290.285 2.088 10 0 CEAERO CCC(CC)N(C)C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111243857 186376489 /nfs/dbraw/zinc/37/64/89/186376489.db2.gz OFLFEGOPGMHMSH-LLVKDONJSA-N 1 0 266.307 2.175 10 0 CEAERO COc1ccc2nc(NC(=O)[C@@H]3C[NH2+]C[C@H]3C)sc2c1 ZINC000111263244 186380318 /nfs/dbraw/zinc/38/03/18/186380318.db2.gz FYNTUQQOXJEMLR-PSASIEDQSA-N 1 0 291.376 2.099 10 0 CEAERO CCC(=O)Nc1ccc(C)c(NC(=O)[C@H]2C[NH2+]C[C@H]2C)c1 ZINC000111264853 186381608 /nfs/dbraw/zinc/38/16/08/186381608.db2.gz ZWLVDAIJHZUSDC-YPMHNXCESA-N 1 0 289.379 2.138 10 0 CEAERO CCN(Cc1ccccc1C)C(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000111264150 186381691 /nfs/dbraw/zinc/38/16/91/186381691.db2.gz ZYMPCEWZZVAOFX-ZFWWWQNUSA-N 1 0 260.381 2.199 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000111265254 186381702 /nfs/dbraw/zinc/38/17/02/186381702.db2.gz PODNOTGHALBUDD-ZWKOPEQDSA-N 1 0 294.395 2.334 10 0 CEAERO CSc1ccccc1NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000111265109 186381860 /nfs/dbraw/zinc/38/18/60/186381860.db2.gz IYCKVIREANAENN-NXEZZACHSA-N 1 0 250.367 2.203 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1cnc2ccccc2c1 ZINC000111265485 186382134 /nfs/dbraw/zinc/38/21/34/186382134.db2.gz TVSZQYBTANAEGN-MFKMUULPSA-N 1 0 255.321 2.029 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc(N2CCCC2)c1 ZINC000111267500 186382767 /nfs/dbraw/zinc/38/27/67/186382767.db2.gz XGIBZPMTBRXHDA-WFASDCNBSA-N 1 0 273.380 2.081 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)N(Cc1ccccc1F)C1CC1 ZINC000111268236 186382998 /nfs/dbraw/zinc/38/29/98/186382998.db2.gz FLXSRRAWRSWOHJ-FZMZJTMJSA-N 1 0 276.355 2.172 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000111271856 186383721 /nfs/dbraw/zinc/38/37/21/186383721.db2.gz JUGKSQNZKQLONA-BDAKNGLRSA-N 1 0 267.398 2.235 10 0 CEAERO CCN(C(=O)c1ccc(C[NH3+])cn1)c1cccc(F)c1 ZINC000111282135 186387983 /nfs/dbraw/zinc/38/79/83/186387983.db2.gz MBQVRXOZBONCSF-UHFFFAOYSA-N 1 0 273.311 2.346 10 0 CEAERO Cc1ccc(CN(C)C(=O)c2ccc(C[NH3+])cn2)cc1 ZINC000111281325 186388806 /nfs/dbraw/zinc/38/88/06/186388806.db2.gz KDRKJJUTCXOYQA-UHFFFAOYSA-N 1 0 269.348 2.121 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1C(=O)c1ccc2cc[nH]c2c1 ZINC000111289144 186390675 /nfs/dbraw/zinc/39/06/75/186390675.db2.gz WZODRPLUZOEJCR-CQSZACIVSA-N 1 0 271.364 2.382 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H](C)N1C(=O)c1ccc(OC(F)F)cc1 ZINC000111902844 186464496 /nfs/dbraw/zinc/46/44/96/186464496.db2.gz SAVBDVSODWKIKH-AOOOYVTPSA-N 1 0 284.306 2.110 10 0 CEAERO Cc1nn(C)c(N(C)c2cccc(F)c2)c1CC[NH3+] ZINC000111484857 186423238 /nfs/dbraw/zinc/42/32/38/186423238.db2.gz IKRKDNFQFDHOPE-UHFFFAOYSA-N 1 0 262.332 2.137 10 0 CEAERO CCN(c1c(C[C@@H](C)[NH3+])c(C)nn1C)C1CCCC1 ZINC000111492980 186423583 /nfs/dbraw/zinc/42/35/83/186423583.db2.gz JQAMVXUVXRPHOM-LLVKDONJSA-N 1 0 264.417 2.387 10 0 CEAERO CC[C@@H]([NH3+])Cc1c(N(C)CCCOC)nc2sccn12 ZINC000111499570 186424699 /nfs/dbraw/zinc/42/46/99/186424699.db2.gz WFIPTDCMJNLIJE-LLVKDONJSA-N 1 0 296.440 2.148 10 0 CEAERO CC[C@@H]([NH3+])Cc1c(C)nn(C)c1-n1ccc(C2CC2)n1 ZINC000111513824 186425831 /nfs/dbraw/zinc/42/58/31/186425831.db2.gz MMWPWTZOSLHCIJ-GFCCVEGCSA-N 1 0 273.384 2.071 10 0 CEAERO CC[NH2+]C[C@H]1CCCCN1[C@@H](C)C(=O)Nc1ccccc1 ZINC000111701261 186445872 /nfs/dbraw/zinc/44/58/72/186445872.db2.gz VUKGXHGZSZLTOT-GOEBONIOSA-N 1 0 289.423 2.478 10 0 CEAERO CCC[NH2+][C@@H](C)C1CCN(c2nccn2C)CC1 ZINC000111717640 186450442 /nfs/dbraw/zinc/45/04/42/186450442.db2.gz YJUNOFGVLOOWPM-LBPRGKRZSA-N 1 0 250.390 2.025 10 0 CEAERO CCCCN(CC[NH3+])C(=O)C[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000111362784 186405474 /nfs/dbraw/zinc/40/54/74/186405474.db2.gz KDSMGEYBBJAHFM-BFHYXJOUSA-N 1 0 252.402 2.400 10 0 CEAERO [NH3+]C[C@H](NC(=O)c1ccc(F)c(F)c1)c1ccccc1 ZINC000111364936 186405725 /nfs/dbraw/zinc/40/57/25/186405725.db2.gz QPAZPVLKVGTHMD-AWEZNQCLSA-N 1 0 276.286 2.395 10 0 CEAERO Cc1ccc(C(=O)N[C@@H]2c3ccccc3C[C@H]2[NH3+])cc1F ZINC000111367524 186406657 /nfs/dbraw/zinc/40/66/57/186406657.db2.gz SAAMYEAAJXFPHI-HZPDHXFCSA-N 1 0 284.334 2.489 10 0 CEAERO CCCCNC(=O)Nc1ccc(OCC)c(C[NH3+])c1 ZINC000111371900 186408244 /nfs/dbraw/zinc/40/82/44/186408244.db2.gz XUMMUDNEFHMJIC-UHFFFAOYSA-N 1 0 265.357 2.466 10 0 CEAERO [NH3+]C[C@@H](Nc1ncnc2c1CCC2)c1ccccc1 ZINC000111376258 186409563 /nfs/dbraw/zinc/40/95/63/186409563.db2.gz XATNGBODYWDVRP-CQSZACIVSA-N 1 0 254.337 2.077 10 0 CEAERO C[NH2+]Cc1cc(O[C@@H]2CCOC2)nc2ccccc12 ZINC000112635069 186511990 /nfs/dbraw/zinc/51/19/90/186511990.db2.gz RJIUZIZVKGUUPH-GFCCVEGCSA-N 1 0 258.321 2.122 10 0 CEAERO NC(=[NH2+])COc1cc(Br)ccc1Cl ZINC000069717762 362994805 /nfs/dbraw/zinc/99/48/05/362994805.db2.gz AGVIZDDMYUHVQU-UHFFFAOYSA-N 1 0 263.522 2.417 10 0 CEAERO CCCOc1ccc(C[NH2+]C)c(O[C@H]2CCOC2)c1 ZINC000113147434 186555871 /nfs/dbraw/zinc/55/58/71/186555871.db2.gz LZBQYIVBXZEDFY-AWEZNQCLSA-N 1 0 265.353 2.363 10 0 CEAERO CCc1csc([C@H]2CCC[N@@H+]([C@@H]3CCN(C)C3=O)C2)n1 ZINC000116275060 186704264 /nfs/dbraw/zinc/70/42/64/186704264.db2.gz GNAYWMCSHLTPPU-WCQYABFASA-N 1 0 293.436 2.116 10 0 CEAERO CO[C@H]1C[NH2+][C@](C)(c2nc(-c3ccc(F)cc3)no2)C1 ZINC000629678450 351465132 /nfs/dbraw/zinc/46/51/32/351465132.db2.gz OMRZNHYZOSFMTP-RISCZKNCSA-N 1 0 277.299 2.099 10 0 CEAERO C[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000252033137 539816750 /nfs/dbraw/zinc/81/67/50/539816750.db2.gz ZZSRNAAEZFNZQR-KBMXLJTQSA-N 1 0 287.407 2.018 10 0 CEAERO COc1ccc(C[N@@H+]2CCS[C@@H](C)C2)cc1O ZINC000131354059 366045452 /nfs/dbraw/zinc/04/54/52/366045452.db2.gz PAXVFGIWJBRWIX-JTQLQIEISA-N 1 0 253.367 2.338 10 0 CEAERO [NH3+][C@@H]1CCCN(c2ccc(-c3cc(F)cc(F)c3)nn2)C1 ZINC000070458516 363086112 /nfs/dbraw/zinc/08/61/12/363086112.db2.gz MHRPCPNJQBDIAF-CYBMUJFWSA-N 1 0 290.317 2.349 10 0 CEAERO [NH3+][C@H]1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1 ZINC000070458402 363086199 /nfs/dbraw/zinc/08/61/99/363086199.db2.gz BFTYTWKWTKNZNE-ZDUSSCGKSA-N 1 0 272.327 2.210 10 0 CEAERO COc1ccc(-c2ccc(N3CCC[C@@H]([NH3+])C3)nn2)cc1 ZINC000070458410 363086346 /nfs/dbraw/zinc/08/63/46/363086346.db2.gz VKGSLZONWVPGCZ-CYBMUJFWSA-N 1 0 284.363 2.080 10 0 CEAERO Cc1ccccc1-c1ccc(N2CCC[C@H]([NH3+])C2)nn1 ZINC000070458955 363086878 /nfs/dbraw/zinc/08/68/78/363086878.db2.gz QGCKOLBGQIHNBN-ZDUSSCGKSA-N 1 0 268.364 2.380 10 0 CEAERO Cc1cccc(-c2cc3c(N4CC[C@@H]([NH3+])C4)nccn3n2)c1 ZINC000070459345 363087099 /nfs/dbraw/zinc/08/70/99/363087099.db2.gz PKWDMFINOOGYTE-CQSZACIVSA-N 1 0 293.374 2.242 10 0 CEAERO COCc1cc(N2CC[C@H]([NH3+])C2)nc(-c2ccc(C)cc2)n1 ZINC000070455795 363085161 /nfs/dbraw/zinc/08/51/61/363085161.db2.gz QVPIYGIQQQDBGI-AWEZNQCLSA-N 1 0 298.390 2.136 10 0 CEAERO CO[C@@H]1CN(C[C@@H]2CCCCC2(F)F)[C@@](C)(C[NH3+])C1 ZINC000630363573 351712904 /nfs/dbraw/zinc/71/29/04/351712904.db2.gz BRPRCWUSDYMSML-RWMBFGLXSA-N 1 0 276.371 2.250 10 0 CEAERO CO[C@@H]1CN(CCCc2ccccc2)[C@](C)(C[NH3+])C1 ZINC000630364367 351713311 /nfs/dbraw/zinc/71/33/11/351713311.db2.gz UZVQLTMRCARUCM-HOTGVXAUSA-N 1 0 262.397 2.057 10 0 CEAERO COc1ccccc1-c1ccc(N2CCC[C@H]([NH3+])C2)nn1 ZINC000070458490 363085807 /nfs/dbraw/zinc/08/58/07/363085807.db2.gz CQIYJXKFHCZOKA-LBPRGKRZSA-N 1 0 284.363 2.080 10 0 CEAERO Cc1cc(C(C)C)nc(N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)n1 ZINC000630541058 351778310 /nfs/dbraw/zinc/77/83/10/351778310.db2.gz HWAYRUQIUMYUJW-IYBDPMFKSA-N 1 0 274.412 2.344 10 0 CEAERO C[C@@H]1[NH2+]CC[C@H]1Nc1cncc(Br)c1 ZINC000630545847 351779163 /nfs/dbraw/zinc/77/91/63/351779163.db2.gz MLLPTUIXGMRRCZ-OIBJUYFYSA-N 1 0 256.147 2.006 10 0 CEAERO C[NH2+]CCOCCN(C)c1ncc(Cl)cc1Cl ZINC000630528338 351773821 /nfs/dbraw/zinc/77/38/21/351773821.db2.gz GIHNHLDPUVCHNO-UHFFFAOYSA-N 1 0 278.183 2.061 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000121853486 187000623 /nfs/dbraw/zinc/00/06/23/187000623.db2.gz XHAIRCJQPKLOCY-AVGNSLFASA-N 1 0 296.436 2.290 10 0 CEAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3ccco3)C2)n1 ZINC000121912807 187004703 /nfs/dbraw/zinc/00/47/03/187004703.db2.gz KFLFQYQZQPFLIZ-CQSZACIVSA-N 1 0 274.368 2.400 10 0 CEAERO [NH3+]CC1(C(=O)N[C@H]2CCc3ccccc32)CCCC1 ZINC000122953607 187062225 /nfs/dbraw/zinc/06/22/25/187062225.db2.gz NBFFWDVXTULJBF-AWEZNQCLSA-N 1 0 258.365 2.309 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cc1nc(C)sc1C ZINC000124193641 187126476 /nfs/dbraw/zinc/12/64/76/187126476.db2.gz YYFWIHGTOAICMS-ZDUSSCGKSA-N 1 0 295.452 2.245 10 0 CEAERO CCOC(C[N@@H+]1CCC[C@H](n2ccnc2CC)C1)OCC ZINC000124208007 187126866 /nfs/dbraw/zinc/12/68/66/187126866.db2.gz LGUCSZVPHVHEAR-AWEZNQCLSA-N 1 0 295.427 2.482 10 0 CEAERO COc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CCOCC2)cc1F ZINC000123306531 187083469 /nfs/dbraw/zinc/08/34/69/187083469.db2.gz WCDOTLFSJBAHTJ-CHWSQXEVSA-N 1 0 296.386 2.206 10 0 CEAERO C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccc(F)cc1F ZINC000123301123 187083636 /nfs/dbraw/zinc/08/36/36/187083636.db2.gz YBZIDMANNOFQOM-NWDGAFQWSA-N 1 0 284.350 2.336 10 0 CEAERO COc1ccccc1[C@H](C)[NH2+]C[C@H](C)N1CCOCC1 ZINC000123339973 187085986 /nfs/dbraw/zinc/08/59/86/187085986.db2.gz VFTDWFUKBACKIZ-KBPBESRZSA-N 1 0 278.396 2.067 10 0 CEAERO COc1ccc([C@H](C)[NH2+]C[C@H](C)N2CCOCC2)cc1 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[NH3+][C@@H](CO)c1cc(C(F)(F)F)cc(Cl)c1F ZINC000072199267 363121271 /nfs/dbraw/zinc/12/12/71/363121271.db2.gz NXZHOVCHQPCDJJ-ZETCQYMHSA-N 1 0 257.614 2.490 10 0 CEAERO Cc1cc(C)c(O)c(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000094574370 539882499 /nfs/dbraw/zinc/88/24/99/539882499.db2.gz MABGPNUOEXJYSS-NWDGAFQWSA-N 1 0 262.353 2.465 10 0 CEAERO Cc1cc(F)ccc1CCNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000094956008 539888504 /nfs/dbraw/zinc/88/85/04/539888504.db2.gz FJUGIPNMZVUVPF-HIFRSBDPSA-N 1 0 278.371 2.168 10 0 CEAERO Cc1ccsc1CNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000094876669 539887081 /nfs/dbraw/zinc/88/70/81/539887081.db2.gz WCJXPWNQZZACDB-MNOVXSKESA-N 1 0 252.383 2.048 10 0 CEAERO CCOc1ccc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])cc1F ZINC000135259102 187813384 /nfs/dbraw/zinc/81/33/84/187813384.db2.gz NPQHNHRYCQCUOZ-ZYHUDNBSSA-N 1 0 266.316 2.290 10 0 CEAERO Cc1cc(Br)cc(NC2=[NH+]CCN2)c1 ZINC000232067676 542252283 /nfs/dbraw/zinc/25/22/83/542252283.db2.gz GXEFYHXOIOVIOY-UHFFFAOYSA-N 1 0 254.131 2.129 10 0 CEAERO CNc1ccc(C)cc1C(=O)NCC(C)(C)[NH+](C)C ZINC000053005532 522603361 /nfs/dbraw/zinc/60/33/61/522603361.db2.gz CFUUJEHZSFUDDX-UHFFFAOYSA-N 1 0 263.385 2.107 10 0 CEAERO CC[C@H](C)OCC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000152482127 188022635 /nfs/dbraw/zinc/02/26/35/188022635.db2.gz ZPUQYFPGGSHWGE-ZFWWWQNUSA-N 1 0 278.396 2.221 10 0 CEAERO CCC[C@H](C(=O)N1CC[C@H](C)[C@H](n2ccnc2)C1)[NH+](C)C ZINC000154516743 188147473 /nfs/dbraw/zinc/14/74/73/188147473.db2.gz JECRMHBTFHISPL-RRFJBIMHSA-N 1 0 292.427 2.023 10 0 CEAERO COCc1ccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000155325860 188199439 /nfs/dbraw/zinc/19/94/39/188199439.db2.gz WMYZUSHSIVEAFZ-BBRMVZONSA-N 1 0 290.407 2.292 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)c2cccs2)[C@@H](C)C1 ZINC000155556411 188213686 /nfs/dbraw/zinc/21/36/86/188213686.db2.gz ZAFXEFXFXZNZFM-QWRGUYRKSA-N 1 0 252.383 2.207 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccnc(Cl)c2)C1 ZINC000155594108 188215434 /nfs/dbraw/zinc/21/54/34/188215434.db2.gz IHWNOUOBNOXERG-PWSUYJOCSA-N 1 0 281.787 2.194 10 0 CEAERO Cc1cccc(C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)c1F ZINC000155346638 188200436 /nfs/dbraw/zinc/20/04/36/188200436.db2.gz SMHZVBWJRSHGLT-GFCCVEGCSA-N 1 0 264.344 2.158 10 0 CEAERO CC[C@H]1CN(c2ncc(Cl)cc2F)CC[C@H]1[NH3+] ZINC000251798607 539991704 /nfs/dbraw/zinc/99/17/04/539991704.db2.gz NYPJGSBYEGZGAS-GZMMTYOYSA-N 1 0 257.740 2.438 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)/C=C/c2ccco2)C1 ZINC000155814037 188228622 /nfs/dbraw/zinc/22/86/22/188228622.db2.gz XKHSIMDRLLUUQX-WDYNUWJLSA-N 1 0 262.353 2.138 10 0 CEAERO C[NH+](C)C[C@H]1CN(C/C=C/c2ccc(F)cc2)CCO1 ZINC000156645425 188275042 /nfs/dbraw/zinc/27/50/42/188275042.db2.gz VQNDNECWPBUXAG-CWDCEQMOSA-N 1 0 278.371 2.101 10 0 CEAERO CC[C@@H]1CN(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)CCS1 ZINC000132132285 366119807 /nfs/dbraw/zinc/11/98/07/366119807.db2.gz JMQKOCHOFGOOTO-BFHYXJOUSA-N 1 0 299.484 2.252 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N(C)Cc2cscn2)C1 ZINC000132350470 366137031 /nfs/dbraw/zinc/13/70/31/366137031.db2.gz NSUHYXIZDDHSOV-YPMHNXCESA-N 1 0 296.440 2.013 10 0 CEAERO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1ccc(N(C)C)cc1 ZINC000156709012 540022597 /nfs/dbraw/zinc/02/25/97/540022597.db2.gz NFAXUEQTRADIBK-OAHLLOKOSA-N 1 0 277.412 2.198 10 0 CEAERO COc1cc(Br)c2c(c1)C[C@H]([C@@H](C)[NH3+])CO2 ZINC000675063935 540084124 /nfs/dbraw/zinc/08/41/24/540084124.db2.gz UKSDHDFLNGTNND-APPZFPTMSA-N 1 0 286.169 2.356 10 0 CEAERO [NH3+]CC[C@@H](O)c1ccc(Br)cc1Cl ZINC000083557708 540118610 /nfs/dbraw/zinc/11/86/10/540118610.db2.gz SFMMHKFMTSWMQK-SECBINFHSA-N 1 0 264.550 2.485 10 0 CEAERO CC(C)(C)OC(=O)N1CC(c2ccns2)=C[C@@H]([NH3+])C1 ZINC000675078496 540118943 /nfs/dbraw/zinc/11/89/43/540118943.db2.gz QDJRPSIXLAXDFC-SNVBAGLBSA-N 1 0 281.381 2.105 10 0 CEAERO CC[C@@H](C)[NH2+][C@H]1CC(=O)N(Cc2ccc(OC)cc2)C1 ZINC000675070173 540112273 /nfs/dbraw/zinc/11/22/73/540112273.db2.gz QRNSADYRNVSXLT-OCCSQVGLSA-N 1 0 276.380 2.184 10 0 CEAERO Cc1ncccc1C1=C[C@H]([NH3+])CN(C(=O)OC(C)(C)C)C1 ZINC000675079481 540119527 /nfs/dbraw/zinc/11/95/27/540119527.db2.gz ZLDJGERJHIAYRD-ZDUSSCGKSA-N 1 0 289.379 2.351 10 0 CEAERO CCCNC(=O)N1[C@H](CC[NH3+])CCC[C@H]1C(F)(F)F ZINC000675072279 540113319 /nfs/dbraw/zinc/11/33/19/540113319.db2.gz AXUYNNIOROHIOZ-UWVGGRQHSA-N 1 0 281.322 2.240 10 0 CEAERO CCC(=O)N1[C@@H](C(F)(F)F)CCC[C@H]1CC[NH3+] ZINC000675073295 540115072 /nfs/dbraw/zinc/11/50/72/540115072.db2.gz MIHFMMMNRGYVBM-DTWKUNHWSA-N 1 0 252.280 2.057 10 0 CEAERO CCCCS(=O)(=O)NC1(CCC[NH3+])CCCCC1 ZINC000675074509 540115670 /nfs/dbraw/zinc/11/56/70/540115670.db2.gz XZRNJLSSRMPJPW-UHFFFAOYSA-N 1 0 276.446 2.148 10 0 CEAERO [NH3+]C[C@H]1CCCCN1C[C@@H]1CCOc2ccccc21 ZINC000161970515 540146239 /nfs/dbraw/zinc/14/62/39/540146239.db2.gz NZBPWJROIOQENS-UONOGXRCSA-N 1 0 260.381 2.366 10 0 CEAERO [NH3+]C[C@]12CCC[C@H]1CN(c1ccc(OC(F)F)cn1)C2 ZINC000381246992 540139142 /nfs/dbraw/zinc/13/91/42/540139142.db2.gz AYYRPBLBBIYCRW-HZMBPMFUSA-N 1 0 283.322 2.248 10 0 CEAERO CC(C)c1cc(N(C)CC[C@H]([NH3+])C(C)C)ncn1 ZINC000133579694 366237344 /nfs/dbraw/zinc/23/73/44/366237344.db2.gz VRBWEHIVEJTJAK-LBPRGKRZSA-N 1 0 250.390 2.410 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCC(c2nccs2)CC1 ZINC000261828339 540153686 /nfs/dbraw/zinc/15/36/86/540153686.db2.gz TYBSETXJGPMGHB-CHWSQXEVSA-N 1 0 293.436 2.224 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@@H]2CCC23CCCC3)C1 ZINC000682731883 540148686 /nfs/dbraw/zinc/14/86/86/540148686.db2.gz DCNRJBZNYRSVCV-UONOGXRCSA-N 1 0 252.402 2.020 10 0 CEAERO CC(C)(C)c1ncc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cn1 ZINC000261668291 540150097 /nfs/dbraw/zinc/15/00/97/540150097.db2.gz FTUZUZMPLNCRPC-ZYHUDNBSSA-N 1 0 276.384 2.088 10 0 CEAERO C[C@@H]1CCN(C(=O)c2ccc(C3CC3)cn2)[C@H](C[NH3+])C1 ZINC000261862094 540155095 /nfs/dbraw/zinc/15/50/95/540155095.db2.gz RLBPMLKSZWWFQZ-RISCZKNCSA-N 1 0 273.380 2.158 10 0 CEAERO O=C(NCc1c(Cl)cccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000570093177 299237929 /nfs/dbraw/zinc/23/79/29/299237929.db2.gz KBSMTXUNGZTLBG-MRVPVSSYSA-N 1 0 273.163 2.219 10 0 CEAERO C[C@H](C[NH2+][C@@H]1CCc2ncnn2C1)Cc1ccccc1 ZINC000133866616 366262930 /nfs/dbraw/zinc/26/29/30/366262930.db2.gz SYOTVFPRULIVQG-DZGCQCFKSA-N 1 0 270.380 2.061 10 0 CEAERO C[C@H]1C[C@H]1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000075509315 363468437 /nfs/dbraw/zinc/46/84/37/363468437.db2.gz YJPXMFOHYYOSON-SWLSCSKDSA-N 1 0 258.365 2.421 10 0 CEAERO COc1cccc(Cl)c1CC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000134154941 366293002 /nfs/dbraw/zinc/29/30/02/366293002.db2.gz SKMUEWANVRYGHF-LLVKDONJSA-N 1 0 296.798 2.054 10 0 CEAERO C[C@H]1C[C@H]1NC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000076072929 363517642 /nfs/dbraw/zinc/51/76/42/363517642.db2.gz NYJFOZNRHQATRL-RFQIPJPRSA-N 1 0 267.417 2.062 10 0 CEAERO COC(=O)c1ccc(C[N@@H+]2CCS[C@@H](C)C2)cc1 ZINC000134342962 366310760 /nfs/dbraw/zinc/31/07/60/366310760.db2.gz IBUMVDZCJHEBSX-NSHDSACASA-N 1 0 265.378 2.411 10 0 CEAERO C[C@@]1(C(=O)NC2C3CC4CC(C3)CC2C4)CCC[NH2+]1 ZINC000079514979 538891032 /nfs/dbraw/zinc/89/10/32/538891032.db2.gz AQBDYUSUCNBNOC-QRXGVLDSSA-N 1 0 262.397 2.069 10 0 CEAERO COCCOc1ccccc1NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000153234096 538896018 /nfs/dbraw/zinc/89/60/18/538896018.db2.gz CXVYFSAGPNPYQW-OLZOCXBDSA-N 1 0 292.379 2.168 10 0 CEAERO O[C@@H]1CCC[C@H]([NH2+]Cc2cncc(Br)c2)C1 ZINC000166496609 540304683 /nfs/dbraw/zinc/30/46/83/540304683.db2.gz DXBWHXNHZUVALD-NWDGAFQWSA-N 1 0 285.185 2.237 10 0 CEAERO Cc1cccc([C@H](C)NC[C@@H](O)C[N@@H+](C)C(C)C)c1 ZINC000388840943 540332564 /nfs/dbraw/zinc/33/25/64/540332564.db2.gz YBOFCUSRNRWCGO-GOEBONIOSA-N 1 0 264.413 2.347 10 0 CEAERO C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000336236375 213067862 /nfs/dbraw/zinc/06/78/62/213067862.db2.gz KYGHZROWVMYCKC-BBRMVZONSA-N 1 0 271.364 2.218 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)Cc1ccncc1 ZINC000079495340 363609475 /nfs/dbraw/zinc/60/94/75/363609475.db2.gz YQPKQECXUNVYFU-OAHLLOKOSA-N 1 0 292.427 2.199 10 0 CEAERO CCc1nc(NC(=O)[C@]2(C)CCC[NH2+]2)sc1C ZINC000079520345 363612967 /nfs/dbraw/zinc/61/29/67/363612967.db2.gz CXIRDGKWZGONLF-LBPRGKRZSA-N 1 0 253.371 2.095 10 0 CEAERO CC[C@H](NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)c1nccs1 ZINC000080268847 363652783 /nfs/dbraw/zinc/65/27/83/363652783.db2.gz XBESTWWHGJLOBJ-VWYCJHECSA-N 1 0 267.398 2.228 10 0 CEAERO CC[C@H]([NH2+]C[C@@H](O)COC(C)(C)C)c1nccs1 ZINC000080304686 363655439 /nfs/dbraw/zinc/65/54/39/363655439.db2.gz RBRRYHWHSQBKCP-MNOVXSKESA-N 1 0 272.414 2.360 10 0 CEAERO CC(C)Cc1nn2c(c1Br)NCC[C@H]2C[NH3+] ZINC000232647756 542257438 /nfs/dbraw/zinc/25/74/38/542257438.db2.gz VMEIFBLEUCLZAH-QMMMGPOBSA-N 1 0 287.205 2.160 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@H]([NH+]2CCC2)CC1 ZINC000685953607 540649040 /nfs/dbraw/zinc/64/90/40/540649040.db2.gz XDDOEKCAARJOSH-LBPRGKRZSA-N 1 0 254.374 2.482 10 0 CEAERO CCN(CC)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000080506368 363665449 /nfs/dbraw/zinc/66/54/49/363665449.db2.gz NHFYWZDLWBTWBQ-YHWZYXNKSA-N 1 0 253.390 2.053 10 0 CEAERO 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Nc1ccnn1C1CC[NH+](Cc2ccccc2)CC1 ZINC000019689182 541449717 /nfs/dbraw/zinc/44/97/17/541449717.db2.gz VKDYNAOILYCQMX-UHFFFAOYSA-N 1 0 256.353 2.302 10 0 CEAERO CCc1ccc(CN2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000117340113 365103383 /nfs/dbraw/zinc/10/33/83/365103383.db2.gz QPNNUKBRRKUBEK-MRXNPFEDSA-N 1 0 262.397 2.011 10 0 CEAERO CCc1nc(C)c(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)o1 ZINC000335918670 365161774 /nfs/dbraw/zinc/16/17/74/365161774.db2.gz IREZTIHNNHYVHV-DGCLKSJQSA-N 1 0 263.385 2.214 10 0 CEAERO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)CC(C)(C)C1 ZINC000245225337 370806868 /nfs/dbraw/zinc/80/68/68/370806868.db2.gz SKZDUKMNAFAJMP-UPJWGTAASA-N 1 0 273.442 2.226 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2cnn(-c3ccccc3)c2)C1 ZINC000118985458 365196048 /nfs/dbraw/zinc/19/60/48/365196048.db2.gz NOLHRMLVDFLBDK-HNNXBMFYSA-N 1 0 299.378 2.040 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2cc(F)c(F)c(F)c2)C1 ZINC000119345762 365257884 /nfs/dbraw/zinc/25/78/84/365257884.db2.gz QNPZJXRFTVEGSH-SECBINFHSA-N 1 0 287.285 2.272 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)C1CC1 ZINC000119502029 365282088 /nfs/dbraw/zinc/28/20/88/365282088.db2.gz MNFOLALTMHQOOO-GXTWGEPZSA-N 1 0 252.402 2.269 10 0 CEAERO c1cn2c(n1)CC[C@@H](C[NH2+]Cc1ccc3c[nH]nc3c1)C2 ZINC000275625132 193089435 /nfs/dbraw/zinc/08/94/35/193089435.db2.gz RYRIEMSGCMAVAJ-ZDUSSCGKSA-N 1 0 281.363 2.112 10 0 CEAERO CC[C@@H](C)C[NH+]1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000120438811 365424208 /nfs/dbraw/zinc/42/42/08/365424208.db2.gz AZPYGNZOUOPRTB-NVXWUHKLSA-N 1 0 276.424 2.384 10 0 CEAERO CC[C@@H](C)C[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000120486996 365430987 /nfs/dbraw/zinc/43/09/87/365430987.db2.gz ZCNIJEMMIIVHRW-OAHLLOKOSA-N 1 0 278.444 2.325 10 0 CEAERO CC[C@H](C)C[N@@H+]1CCCN(Cc2cnn(CC)c2)CC1 ZINC000120537148 365438419 /nfs/dbraw/zinc/43/84/19/365438419.db2.gz LADVZMMMUWPDTH-HNNXBMFYSA-N 1 0 278.444 2.457 10 0 CEAERO C[NH+](C)C[C@H]1CN(Cc2nc(C(C)(C)C)cs2)CCO1 ZINC000120610036 365449556 /nfs/dbraw/zinc/44/95/56/365449556.db2.gz 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272.352 2.161 10 0 CEAERO Cc1cnn(C[C@H]2C[N@@H+]([C@H]3C=CCCC3)CCO2)c1 ZINC000171746580 367609370 /nfs/dbraw/zinc/60/93/70/367609370.db2.gz VNMRBGHUHUMEPD-LSDHHAIUSA-N 1 0 261.369 2.001 10 0 CEAERO O=C(c1coc2ccccc12)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000172020193 367660863 /nfs/dbraw/zinc/66/08/63/367660863.db2.gz HHPHEQMEEBZBOT-LBPRGKRZSA-N 1 0 270.332 2.353 10 0 CEAERO CC(C)n1ccnc1C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000172057859 367665213 /nfs/dbraw/zinc/66/52/13/367665213.db2.gz MEIDZSKUXJLOJD-CYBMUJFWSA-N 1 0 273.384 2.187 10 0 CEAERO O[C@@]12CCCC[C@H]1C[N@H+](Cc1cnn3ccccc13)CC2 ZINC000245717833 370863021 /nfs/dbraw/zinc/86/30/21/370863021.db2.gz HHONUDSKDSPXJG-DOTOQJQBSA-N 1 0 285.391 2.461 10 0 CEAERO Cc1ccc(CN2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c(C)c1 ZINC000245744381 370867751 /nfs/dbraw/zinc/86/77/51/370867751.db2.gz MMLCDDJZXSFSOC-HOTGVXAUSA-N 1 0 276.424 2.190 10 0 CEAERO CS[C@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000172542506 367773165 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CCC1(C[N@@H+]2CCN3CCCC[C@H]3C2)CCOCC1 ZINC000311848980 376690895 /nfs/dbraw/zinc/69/08/95/376690895.db2.gz SEABNQDKCZYSBY-HNNXBMFYSA-N 1 0 266.429 2.363 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(c3nccc4ccccc43)C[C@H]12 ZINC000311992064 376698477 /nfs/dbraw/zinc/69/84/77/376698477.db2.gz SJFBYECETZLAKX-VHDGCEQUSA-N 1 0 253.349 2.408 10 0 CEAERO Cc1cc(C)c(O)c(NC(=O)CC[C@H]2CCC[NH2+]2)c1 ZINC000312107743 376702558 /nfs/dbraw/zinc/70/25/58/376702558.db2.gz XNLDXNPXNJUWJW-GFCCVEGCSA-N 1 0 262.353 2.480 10 0 CEAERO C[C@@H]1OCC[C@H]1[NH2+]Cc1cccc(O)c1Br ZINC000315058185 376793176 /nfs/dbraw/zinc/79/31/76/376793176.db2.gz ULMYCAAAUXCTQT-WCBMZHEXSA-N 1 0 286.169 2.422 10 0 CEAERO CC(C)C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Cc1ccccc1 ZINC000616571126 542160560 /nfs/dbraw/zinc/16/05/60/542160560.db2.gz PJPUAIIUHAHASH-HOTGVXAUSA-N 1 0 274.408 2.370 10 0 CEAERO COc1cccc([C@@H]2CCCN2C(=O)C[C@@H]2CC[NH2+]C2)c1 ZINC000089744207 249307924 /nfs/dbraw/zinc/30/79/24/249307924.db2.gz IYDSEHMVGSWCKZ-BBRMVZONSA-N 1 0 288.391 2.358 10 0 CEAERO C[C@H]1OCC[C@H]1[NH2+]Cc1ccnc(Br)c1 ZINC000293637423 377669997 /nfs/dbraw/zinc/66/99/97/377669997.db2.gz RMCRXSGZZKCWEQ-PSASIEDQSA-N 1 0 271.158 2.111 10 0 CEAERO C[C@H](C[NH2+][C@H]1CCn2ccnc21)N(C)C(=O)OC(C)(C)C ZINC000293878117 377802377 /nfs/dbraw/zinc/80/23/77/377802377.db2.gz FIZDZBLIYAXYSS-NEPJUHHUSA-N 1 0 294.399 2.173 10 0 CEAERO Oc1cccc(CN2CC[N@@H+]3CCC[C@H]3C2)c1Cl ZINC000295241071 378066615 /nfs/dbraw/zinc/06/66/15/378066615.db2.gz DXIBDPWENDLMID-LBPRGKRZSA-N 1 0 266.772 2.326 10 0 CEAERO Cc1cc([C@H](C)[NH2+][C@H]2CCC(=O)N[C@@H]2C)cs1 ZINC000296396185 378516294 /nfs/dbraw/zinc/51/62/94/378516294.db2.gz KEBBUECVTBEMRQ-UMNHJUIQSA-N 1 0 252.383 2.374 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ncc(C)o1 ZINC000300404218 379163069 /nfs/dbraw/zinc/16/30/69/379163069.db2.gz HSADSDHVRINEGB-KGLIPLIRSA-N 1 0 263.385 2.432 10 0 CEAERO COC(C)(C)CC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000300065541 379151789 /nfs/dbraw/zinc/15/17/89/379151789.db2.gz YMLYTUZJAWMTPW-DZGCQCFKSA-N 1 0 255.402 2.429 10 0 CEAERO OCCC[C@@H]1CCC[N@@H+]1C[C@H](O)CC1CCCC1 ZINC000300071693 379152268 /nfs/dbraw/zinc/15/22/68/379152268.db2.gz CRWXEHLRUXEDPV-LSDHHAIUSA-N 1 0 255.402 2.165 10 0 CEAERO CC(C)C1(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000176354288 183617955 /nfs/dbraw/zinc/61/79/55/183617955.db2.gz BIIUTRNMWRAYMY-ZIAGYGMSSA-N 1 0 279.428 2.301 10 0 CEAERO Cc1cc(NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)nnc1C ZINC000302307435 379354091 /nfs/dbraw/zinc/35/40/91/379354091.db2.gz OIQBQJQRSQYLCX-STQMWFEESA-N 1 0 292.427 2.393 10 0 CEAERO C[N@@H+]1Cc2ccc(NC[C@@](C)(O)C(F)(F)F)cc2C1 ZINC000520568705 379484758 /nfs/dbraw/zinc/48/47/58/379484758.db2.gz DAKFRZPUAUIFLL-GFCCVEGCSA-N 1 0 274.286 2.357 10 0 CEAERO CN(C)C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000305167796 379668078 /nfs/dbraw/zinc/66/80/78/379668078.db2.gz YXKJXUYIBRHYOU-MCIONIFRSA-N 1 0 256.434 2.103 10 0 CEAERO O=C(/C=C\c1ccc(O)cc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000492405809 380541901 /nfs/dbraw/zinc/54/19/01/380541901.db2.gz DRFMEHQZROURKC-AJHXJQRKSA-N 1 0 286.375 2.102 10 0 CEAERO C[C@H]([NH2+][C@H]1CCC[C@H](O)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000037165231 542278557 /nfs/dbraw/zinc/27/85/57/542278557.db2.gz FERLNJOKDBAGOM-UBHSHLNASA-N 1 0 297.420 2.044 10 0 CEAERO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(c2nccs2)CC1 ZINC000334593061 380649494 /nfs/dbraw/zinc/64/94/94/380649494.db2.gz NLYXVQPJKXSEJN-QWHCGFSZSA-N 1 0 293.436 2.237 10 0 CEAERO CCc1nn(C)cc1CN1C[C@@H]2CCC[N@H+]2C[C@@H]1CC ZINC000182076310 542278811 /nfs/dbraw/zinc/27/88/11/542278811.db2.gz RHGHWPQDJCQBBH-GJZGRUSLSA-N 1 0 276.428 2.041 10 0 CEAERO C[C@@H]1CN(C(=O)/C=C\c2ccccc2Cl)C[C@H]1[NH3+] ZINC000493170988 380830990 /nfs/dbraw/zinc/83/09/90/380830990.db2.gz KKMCBVHGIOSGCI-VVNZAOIASA-N 1 0 264.756 2.159 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)/C=C\c2ncccc2C)C1 ZINC000493356723 380943278 /nfs/dbraw/zinc/94/32/78/380943278.db2.gz RLCABZVXAFBYCP-CKXPSTMWSA-N 1 0 273.380 2.004 10 0 CEAERO C[C@@H]([NH2+]CCCCCn1cccn1)[C@H]1CCCO1 ZINC000183154564 542287120 /nfs/dbraw/zinc/28/71/20/542287120.db2.gz YQGNNXBLNGPWRS-ZIAGYGMSSA-N 1 0 251.374 2.211 10 0 CEAERO c1cn(C[C@@H]2CCC[N@@H+]2Cc2cccc3c2OCO3)cn1 ZINC000188415000 542322557 /nfs/dbraw/zinc/32/25/57/542322557.db2.gz DMWXHUZQYNFQRX-AWEZNQCLSA-N 1 0 285.347 2.276 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+][C@@H]2CCC[C@H](O)C2)c1C ZINC000045171281 542340992 /nfs/dbraw/zinc/34/09/92/542340992.db2.gz JMIWELCQXZFJIK-GDLCADMTSA-N 1 0 265.401 2.474 10 0 CEAERO C[C@H]1OCCC[C@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000191689921 542344257 /nfs/dbraw/zinc/34/42/57/542344257.db2.gz NJRMXVMDLHAPRT-GDBMZVCRSA-N 1 0 294.439 2.136 10 0 CEAERO CC[C@H]([NH3+])[C@@H](C)Sc1nnc2n1CCCCC2 ZINC000081865825 184598165 /nfs/dbraw/zinc/59/81/65/184598165.db2.gz OKPAUVANJAMEIE-ZJUUUORDSA-N 1 0 254.403 2.222 10 0 CEAERO C[NH2+][C@@](C)(CO)CCCCN1CCc2ccccc21 ZINC000085217093 184605408 /nfs/dbraw/zinc/60/54/08/184605408.db2.gz PHIGYJGAKUCMAJ-MRXNPFEDSA-N 1 0 262.397 2.190 10 0 CEAERO CC[C@@H](C[NH3+])Nc1ncc(Br)cc1C ZINC000086708611 184609984 /nfs/dbraw/zinc/60/99/84/184609984.db2.gz NAZIMYLVSLELKA-VIFPVBQESA-N 1 0 258.163 2.302 10 0 CEAERO CCC[C@H](C)NC(=O)COC1(C[NH3+])CCCCCC1 ZINC000086724825 184610240 /nfs/dbraw/zinc/61/02/40/184610240.db2.gz LLBMBUPMXIWMBY-ZDUSSCGKSA-N 1 0 270.417 2.360 10 0 CEAERO CCC(CC)NC(=O)COC1(C[NH3+])CCC(C)CC1 ZINC000086711739 184610642 /nfs/dbraw/zinc/61/06/42/184610642.db2.gz DMYPOZGNPGXHGP-UHFFFAOYSA-N 1 0 270.417 2.215 10 0 CEAERO CC[NH2+]C[C@](C)(O)c1cc(Br)ccc1F ZINC000086734255 184611745 /nfs/dbraw/zinc/61/17/45/184611745.db2.gz WKWVIBYHGHTPBX-NSHDSACASA-N 1 0 276.149 2.405 10 0 CEAERO C[NH2+]Cc1sc(S(=O)(=O)N(C)CC(C)C)cc1C ZINC000088948360 184615265 /nfs/dbraw/zinc/61/52/65/184615265.db2.gz IFTNKLXHAJSOAM-UHFFFAOYSA-N 1 0 290.454 2.052 10 0 CEAERO CCCOc1ccc(OC[C@@](C)(O)C[NH2+]CC)cc1 ZINC000090823626 184618276 /nfs/dbraw/zinc/61/82/76/184618276.db2.gz FKCPUAIANNWFIU-HNNXBMFYSA-N 1 0 267.369 2.215 10 0 CEAERO C[C@@](O)(C[NH2+]C1CC1)COc1cccc2c1OC(C)(C)C2 ZINC000090822692 184618444 /nfs/dbraw/zinc/61/84/44/184618444.db2.gz AGEPQZUAYQTPRY-QGZVFWFLSA-N 1 0 291.391 2.282 10 0 CEAERO CCC[NH2+][C@@](CO)(CN(C)C(CC)CC)C1CC1 ZINC000085240304 184607786 /nfs/dbraw/zinc/60/77/86/184607786.db2.gz XSAZVXSKMKPRLY-OAHLLOKOSA-N 1 0 256.434 2.248 10 0 CEAERO Fc1ccc(Cc2noc(C3C[NH2+]C3)n2)c(Cl)c1 ZINC000092699601 184621328 /nfs/dbraw/zinc/62/13/28/184621328.db2.gz PLSYROTVFGFTOY-UHFFFAOYSA-N 1 0 267.691 2.140 10 0 CEAERO COc1cc(OC)c([C@H]2CC[NH2+]C[C@H]2C)cc1OC ZINC000092691516 184621578 /nfs/dbraw/zinc/62/15/78/184621578.db2.gz HDUCUELWDYGDGY-MNOVXSKESA-N 1 0 265.353 2.425 10 0 CEAERO CC[C@@H]([NH2+]CCCC(=O)NC1CC1)c1ccc(O)cc1 ZINC000092987542 184641057 /nfs/dbraw/zinc/64/10/57/184641057.db2.gz SKOGOPHRXMRKDE-OAHLLOKOSA-N 1 0 276.380 2.492 10 0 CEAERO CCN(Cc1ccc(OC)c(F)c1)C(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000092953781 184637378 /nfs/dbraw/zinc/63/73/78/184637378.db2.gz KKHJJPIZNUUZPW-WCQYABFASA-N 1 0 294.370 2.181 10 0 CEAERO CCc1cc(CC2(c3ccccc3F)C[NH2+]C2)n(C)n1 ZINC000093196963 184654706 /nfs/dbraw/zinc/65/47/06/184654706.db2.gz XVZKDYOUWNDVCH-UHFFFAOYSA-N 1 0 273.355 2.205 10 0 CEAERO CN(C)C(C)(C)C[NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000093205438 184655095 /nfs/dbraw/zinc/65/50/95/184655095.db2.gz WBHZQNHSMLKACQ-STQMWFEESA-N 1 0 299.459 2.362 10 0 CEAERO CCOC(OCC)[C@H]([NH3+])Cc1ccc(F)cc1F ZINC000093306589 184662089 /nfs/dbraw/zinc/66/20/89/184662089.db2.gz ROXOSACHDVVCEJ-GFCCVEGCSA-N 1 0 259.296 2.234 10 0 CEAERO C[C@](O)(C[N@@H+]1CCO[C@H](C2CC2)C1)c1ccccc1 ZINC000368796968 220289190 /nfs/dbraw/zinc/28/91/90/220289190.db2.gz ACPFYQVSUMBACM-HOTGVXAUSA-N 1 0 261.365 2.005 10 0 CEAERO CCc1ccc([C@H](CN2C(=O)CC(C)CC2=O)[NH2+]C)cc1 ZINC000093356546 184666613 /nfs/dbraw/zinc/66/66/13/184666613.db2.gz HORGZLAITAQGOM-HNNXBMFYSA-N 1 0 288.391 2.295 10 0 CEAERO CCN1C(=[NH2+])NC[C@@]1(C)c1ccc(OC(F)F)cc1 ZINC000093357724 184667646 /nfs/dbraw/zinc/66/76/46/184667646.db2.gz DHCRYGQBSCEWPI-ZDUSSCGKSA-N 1 0 269.295 2.153 10 0 CEAERO CCCN1C(=[NH2+])NC[C@@H]1c1ccccc1OC(F)F ZINC000093373183 184668052 /nfs/dbraw/zinc/66/80/52/184668052.db2.gz NSJICHYJQLJSSS-SNVBAGLBSA-N 1 0 269.295 2.369 10 0 CEAERO CCCN1C(N)=[NH+]C[C@@]1(C)CCc1ccc(O)cc1 ZINC000093373365 184668348 /nfs/dbraw/zinc/66/83/48/184668348.db2.gz UQMZVUONFOJGPI-OAHLLOKOSA-N 1 0 261.369 2.124 10 0 CEAERO Cc1ccc(N2C(=[NH2+])NC[C@@]2(C)c2ccccn2)cc1 ZINC000093376907 184668669 /nfs/dbraw/zinc/66/86/69/184668669.db2.gz XETNANMQPHOTOM-INIZCTEOSA-N 1 0 266.348 2.440 10 0 CEAERO CC[C@@H](C)N1C(=[NH2+])NC[C@@H]1c1cccc(COC)c1 ZINC000093381363 184668853 /nfs/dbraw/zinc/66/88/53/184668853.db2.gz PNCGWFWERQRMGM-BXUZGUMPSA-N 1 0 261.369 2.303 10 0 CEAERO CC[C@@H](C)N1C(=[NH2+])NC[C@@H]1c1c(F)cccc1F ZINC000093381143 184668868 /nfs/dbraw/zinc/66/88/68/184668868.db2.gz GELWIKLEIORVHW-LDYMZIIASA-N 1 0 253.296 2.435 10 0 CEAERO CC1(C)Cc2cccc([C@@H]3CNC(=[NH2+])N3CC3CC3)c2O1 ZINC000093393654 184670197 /nfs/dbraw/zinc/67/01/97/184670197.db2.gz MHAKPEBDZWNEBX-AWEZNQCLSA-N 1 0 285.391 2.482 10 0 CEAERO COC(C)(C)C[C@]1(C)C[NH+]=C(N)N1C1CCCC1 ZINC000093391686 184670528 /nfs/dbraw/zinc/67/05/28/184670528.db2.gz WKIDTEKPXDMEHD-CQSZACIVSA-N 1 0 253.390 2.133 10 0 CEAERO CCn1cc(N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)ccc1=O ZINC000093452535 184677602 /nfs/dbraw/zinc/67/76/02/184677602.db2.gz RYTILMSSXSFYBX-QLFBSQMISA-N 1 0 275.396 2.201 10 0 CEAERO C[NH2+][C@H](C)CCS(=O)(=O)c1cc(C)ccc1C ZINC000081922322 177896043 /nfs/dbraw/zinc/89/60/43/177896043.db2.gz KVIKTAICRALCOS-GFCCVEGCSA-N 1 0 255.383 2.075 10 0 CEAERO CCC[NH2+][C@@H](CC)[C@@H](C)Sc1n[nH]c(=O)n1C(C)C ZINC000081879631 177873283 /nfs/dbraw/zinc/87/32/83/177873283.db2.gz CVMLUGWCKXWFBT-MNOVXSKESA-N 1 0 286.445 2.411 10 0 CEAERO C[NH2+][C@@H]1c2ccc(OC)cc2CC[C@H]1SCC(=O)OC ZINC000081793139 177860950 /nfs/dbraw/zinc/86/09/50/177860950.db2.gz SKXWFNYOZLXRPE-UKRRQHHQSA-N 1 0 295.404 2.177 10 0 CEAERO CCOC(=O)CS[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000081796001 177861887 /nfs/dbraw/zinc/86/18/87/177861887.db2.gz NLWUKINGEZVHOX-GXFFZTMASA-N 1 0 253.367 2.371 10 0 CEAERO CN(C(=O)CC1C[NH2+]C1)[C@@H]1CCCc2ccccc21 ZINC000081749634 177853291 /nfs/dbraw/zinc/85/32/91/177853291.db2.gz QWWGSVKMZRFCCY-OAHLLOKOSA-N 1 0 258.365 2.132 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCCC[NH2+]2)o1 ZINC000080994695 177750447 /nfs/dbraw/zinc/75/04/47/177750447.db2.gz DZBCQZKUVGZXMH-NEPJUHHUSA-N 1 0 250.342 2.297 10 0 CEAERO CCC[NH2+][C@H](C)CCc1nc([C@H](C)OCC)no1 ZINC000080744937 177697044 /nfs/dbraw/zinc/69/70/44/177697044.db2.gz RELPNJCBVWFJBE-MNOVXSKESA-N 1 0 255.362 2.488 10 0 CEAERO COC[C@H](C)C(=O)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000103382231 285330682 /nfs/dbraw/zinc/33/06/82/285330682.db2.gz KOSZGFKORDPPAM-ZFWWWQNUSA-N 1 0 288.391 2.280 10 0 CEAERO Cc1csc([C@@H](C)N2CCC[C@H]([NH2+]C3CC3)C2=O)n1 ZINC000080331636 177642838 /nfs/dbraw/zinc/64/28/38/177642838.db2.gz AIWOQDGGJHKCRH-PWSUYJOCSA-N 1 0 279.409 2.256 10 0 CEAERO COC[C@H](C)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181454633 285332023 /nfs/dbraw/zinc/33/20/23/285332023.db2.gz WWONEMVBIROZOK-MELADBBJSA-N 1 0 282.428 2.038 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1CCN1CCc2ccccc2C1=O ZINC000093557645 184691167 /nfs/dbraw/zinc/69/11/67/184691167.db2.gz PSCHWZWAPGIVBX-DZGCQCFKSA-N 1 0 258.365 2.202 10 0 CEAERO CCOC(=O)[C@@]1([NH3+])CCC[C@@H]1CCn1cc(Cl)c(C)n1 ZINC000093616009 184695819 /nfs/dbraw/zinc/69/58/19/184695819.db2.gz ROORMMGRKHFBRB-BXUZGUMPSA-N 1 0 299.802 2.296 10 0 CEAERO CCC[NH2+][C@]1(CO)CCC[C@H]1CCN(C)CC(F)(F)F ZINC000093617128 184696262 /nfs/dbraw/zinc/69/62/62/184696262.db2.gz RDZKDJRXIKWKCP-STQMWFEESA-N 1 0 296.377 2.401 10 0 CEAERO CCc1c(C)nn(CC[C@H]2CCC[C@@]2(CO)[NH2+]C)c1C ZINC000093618922 184696681 /nfs/dbraw/zinc/69/66/81/184696681.db2.gz RSKJJANSNRWQPG-ZBFHGGJFSA-N 1 0 279.428 2.203 10 0 CEAERO CC(C)[NH2+][C@@]1(CO)CCC[C@@H]1CCOC1CCC1 ZINC000093619278 184696722 /nfs/dbraw/zinc/69/67/22/184696722.db2.gz KYTFXDMELUUEBY-UKRRQHHQSA-N 1 0 255.402 2.475 10 0 CEAERO [NH3+][C@]1(CO)CCC[C@H]1CCOc1cc(F)cc(F)c1 ZINC000093619313 184697036 /nfs/dbraw/zinc/69/70/36/184697036.db2.gz SFTCOQZHFQIPFD-HZMBPMFUSA-N 1 0 271.307 2.224 10 0 CEAERO CC[NH2+][C@@]1(CO)CCC[C@H]1CCSCCCOC ZINC000093622322 184697683 /nfs/dbraw/zinc/69/76/83/184697683.db2.gz MWVFLFVWZVFCGS-UONOGXRCSA-N 1 0 275.458 2.287 10 0 CEAERO C[NH2+][C@@]1(C(N)=O)CCC[C@@H]1CCOc1c(C)cccc1C ZINC000093623106 184697762 /nfs/dbraw/zinc/69/77/62/184697762.db2.gz SDTGXHUESKQVMU-PBHICJAKSA-N 1 0 290.407 2.316 10 0 CEAERO CC[NH2+][C@@]1(CO)CCC[C@H]1CCSc1ccncn1 ZINC000093622298 184697908 /nfs/dbraw/zinc/69/79/08/184697908.db2.gz HYUOIJWKLIWTDM-GXTWGEPZSA-N 1 0 281.425 2.100 10 0 CEAERO C[NH2+][C@@]1(CO)CCC[C@H]1CCSc1ccccn1 ZINC000093622658 184697925 /nfs/dbraw/zinc/69/79/25/184697925.db2.gz LBODKZYBKMKILI-GXTWGEPZSA-N 1 0 266.410 2.314 10 0 CEAERO CC(C)Cn1ncnc1C/C=C/CC[NH2+]C(C)C ZINC000093673865 184704252 /nfs/dbraw/zinc/70/42/52/184704252.db2.gz NIXZALUHQSCXBJ-AATRIKPKSA-N 1 0 250.390 2.421 10 0 CEAERO CCc1nn(CC)c(C[C@H]([NH3+])[C@@H](C)OC)c1Cl ZINC000093690016 184706324 /nfs/dbraw/zinc/70/63/24/184706324.db2.gz KTPDLVBXRAUGRM-BDAKNGLRSA-N 1 0 259.781 2.024 10 0 CEAERO CC[NH2+][C@H](Cc1ccn([C@H](C)CC)n1)[C@@H](C)OC ZINC000093690652 184707374 /nfs/dbraw/zinc/70/73/74/184707374.db2.gz AMWHOQNHBLUMTL-YRGRVCCFSA-N 1 0 253.390 2.410 10 0 CEAERO COC(=O)C(C)(C)Cn1cc(C[NH3+])c2ccccc21 ZINC000093718728 184709398 /nfs/dbraw/zinc/70/93/98/184709398.db2.gz GDLSGXVNGNQJBK-UHFFFAOYSA-N 1 0 260.337 2.299 10 0 CEAERO C[NH2+][C@]1(CO)CCC[C@H](Oc2ccccc2F)C1 ZINC000093785409 184721926 /nfs/dbraw/zinc/72/19/26/184721926.db2.gz OQCGRTAFIHGFPQ-SMDDNHRTSA-N 1 0 253.317 2.098 10 0 CEAERO Cc1c(N)cccc1CN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000094457018 184803506 /nfs/dbraw/zinc/80/35/06/184803506.db2.gz FKBHFZBVCIIOGJ-WFASDCNBSA-N 1 0 259.397 2.246 10 0 CEAERO CC[NH2+][C@H](c1ccsc1)[C@@H]1CN(CC)CCO1 ZINC000093914870 184741968 /nfs/dbraw/zinc/74/19/68/184741968.db2.gz BHNPCRJEARJMQZ-QWHCGFSZSA-N 1 0 254.399 2.119 10 0 CEAERO c1cnn(-c2ccc(NCC3CC[NH2+]CC3)cc2)c1 ZINC000094009835 184749615 /nfs/dbraw/zinc/74/96/15/184749615.db2.gz CDUAFOSEQNCHNX-UHFFFAOYSA-N 1 0 256.353 2.284 10 0 CEAERO Clc1ccc(N(CC2CC[NH2+]CC2)C2CC2)nn1 ZINC000094044707 184752552 /nfs/dbraw/zinc/75/25/52/184752552.db2.gz QMCRCHMSTALVSS-UHFFFAOYSA-N 1 0 266.776 2.098 10 0 CEAERO Cc1nsc(N(CC2CC[NH2+]CC2)C(C)C)n1 ZINC000094044232 184752665 /nfs/dbraw/zinc/75/26/65/184752665.db2.gz JFUHTWRGTAJJLR-UHFFFAOYSA-N 1 0 254.403 2.061 10 0 CEAERO Nc1ccc2c(c1)CC[C@H]2[NH2+][C@@H](CO)Cc1ccccc1 ZINC000094088990 184754849 /nfs/dbraw/zinc/75/48/49/184754849.db2.gz DHYXETZYPGVVTM-SJLPKXTDSA-N 1 0 282.387 2.449 10 0 CEAERO CC[NH2+]C1CCC(O)([C@@H]2CCc3cccnc32)CC1 ZINC000094140787 184755876 /nfs/dbraw/zinc/75/58/76/184755876.db2.gz PKRAFBJEOBJNRL-NPCAHTBFSA-N 1 0 260.381 2.395 10 0 CEAERO CCCn1ccnc1C[C@@H]([NH3+])[C@@H]1COc2ccccc2C1 ZINC000094162130 184757578 /nfs/dbraw/zinc/75/75/78/184757578.db2.gz QZRLAJQWWOZELA-LSDHHAIUSA-N 1 0 285.391 2.414 10 0 CEAERO CCn1c(C[C@H]([NH3+])CCCOC)nc2ccccc21 ZINC000094171379 184759361 /nfs/dbraw/zinc/75/93/61/184759361.db2.gz HKHKGXWHPUVFDX-GFCCVEGCSA-N 1 0 261.369 2.353 10 0 CEAERO C[NH2+][C@H](Cc1ccc(OC)c(OC)c1)[C@H]1CCO[C@@H]1C ZINC000094178288 184759869 /nfs/dbraw/zinc/75/98/69/184759869.db2.gz JYRKUUJYMMBJGL-KWCYVHTRSA-N 1 0 279.380 2.259 10 0 CEAERO COc1ccc(C)cc1COc1ccc(CC[NH3+])nc1 ZINC000094215129 184763998 /nfs/dbraw/zinc/76/39/98/184763998.db2.gz NHJHDSVEABCLGJ-UHFFFAOYSA-N 1 0 272.348 2.479 10 0 CEAERO CC[C@](C)([NH3+])C(=O)Nc1c(C)nn(C(C)C)c1C ZINC000094234250 184767346 /nfs/dbraw/zinc/76/73/46/184767346.db2.gz ARFOESAYELHICT-ZDUSSCGKSA-N 1 0 252.362 2.147 10 0 CEAERO Cc1cscc1C(=O)N[C@H]1CCCCC[C@H]1[NH3+] ZINC000094248325 184769942 /nfs/dbraw/zinc/76/99/42/184769942.db2.gz PDNLEPNBRDRAKF-NEPJUHHUSA-N 1 0 252.383 2.446 10 0 CEAERO Cn1ccc([C@@H]([NH3+])Cc2nc(C(C)(C)C)cs2)n1 ZINC000094256530 184770281 /nfs/dbraw/zinc/77/02/81/184770281.db2.gz QAVHTSKNVZMDIS-VIFPVBQESA-N 1 0 264.398 2.417 10 0 CEAERO CC[NH2+][C@H]1CC(C)(C)Cc2c1cnn2-c1ccncn1 ZINC000094258986 184770556 /nfs/dbraw/zinc/77/05/56/184770556.db2.gz PIRALNGXQOMQQH-LBPRGKRZSA-N 1 0 271.368 2.285 10 0 CEAERO CCOc1ccc2nc([C@H]3CCC[C@@H]3C[NH3+])[nH]c2n1 ZINC000094262483 184770690 /nfs/dbraw/zinc/77/06/90/184770690.db2.gz QIGDBUCLCSLQKU-ZJUUUORDSA-N 1 0 260.341 2.199 10 0 CEAERO C[NH2+][C@H]1[C@H](Sc2nnc(C)n2C)CCCC1(C)C ZINC000094284073 184774858 /nfs/dbraw/zinc/77/48/58/184774858.db2.gz SZHGQASMEWYCTP-MNOVXSKESA-N 1 0 268.430 2.382 10 0 CEAERO C[NH2+][C@H]1[C@H](Sc2n[nH]c(=O)n2C(C)C)CCCC1(C)C ZINC000094283881 184775043 /nfs/dbraw/zinc/77/50/43/184775043.db2.gz GXEXHEQIULXVHV-MNOVXSKESA-N 1 0 298.456 2.411 10 0 CEAERO C[NH2+][C@@H]1[C@@H](Sc2nnc(C)n2C)CCCC1(C)C ZINC000094284072 184775205 /nfs/dbraw/zinc/77/52/05/184775205.db2.gz SZHGQASMEWYCTP-WDEREUQCSA-N 1 0 268.430 2.382 10 0 CEAERO C[N@H+](CC1CCOCC1)[C@@H]1CCCC(C)(C)[C@@H]1O ZINC000094280524 184775380 /nfs/dbraw/zinc/77/53/80/184775380.db2.gz BEGQOAXNWHJSKJ-ZIAGYGMSSA-N 1 0 255.402 2.284 10 0 CEAERO CC(C)(C)N1CC[NH+]([C@@H]2CCCC(C)(C)[C@@H]2O)CC1 ZINC000094280233 184775393 /nfs/dbraw/zinc/77/53/93/184775393.db2.gz GPBJURDHVXXNJC-ZIAGYGMSSA-N 1 0 268.445 2.342 10 0 CEAERO CCOC1CCN([C@@H]2CCC(C)(C)[C@H]2[NH2+]C)CC1 ZINC000094304334 184777703 /nfs/dbraw/zinc/77/77/03/184777703.db2.gz RONXHFDABSFOTJ-KGLIPLIRSA-N 1 0 254.418 2.264 10 0 CEAERO C[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2F)CC[C@@H]1[NH3+] ZINC000094341771 184785691 /nfs/dbraw/zinc/78/56/91/184785691.db2.gz FWAIKGPHCGNHFD-CABZTGNLSA-N 1 0 299.777 2.087 10 0 CEAERO CCC(O)(CC)C[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000094374071 184790864 /nfs/dbraw/zinc/79/08/64/184790864.db2.gz NSWZSXNOJKTDNK-GXTWGEPZSA-N 1 0 273.442 2.182 10 0 CEAERO C[C@@H](C(N)=S)[N@H+](C)[C@@H]1CCOC2(CCSCC2)C1 ZINC000094375984 184791086 /nfs/dbraw/zinc/79/10/86/184791086.db2.gz NTYQIIOBABNBTD-WDEREUQCSA-N 1 0 288.482 2.038 10 0 CEAERO [NH3+][C@@H](C1CCOCC1)[C@@H]1CCOC2(CCCC2)C1 ZINC000094405217 184793632 /nfs/dbraw/zinc/79/36/32/184793632.db2.gz RISWBVLIYPKADF-KGLIPLIRSA-N 1 0 253.386 2.480 10 0 CEAERO CCOC(OCC)[C@H]([NH2+]C)[C@H]1CCOC2(CCC2)C1 ZINC000094408015 184793841 /nfs/dbraw/zinc/79/38/41/184793841.db2.gz RSMLBISPHKJGOG-QWHCGFSZSA-N 1 0 271.401 2.323 10 0 CEAERO CCC[NH2+][C@@H](C(OC)OC)[C@H]1CCOC2(CCC2)C1 ZINC000094407960 184794166 /nfs/dbraw/zinc/79/41/66/184794166.db2.gz NMMPOQDIOWHSMO-QWHCGFSZSA-N 1 0 271.401 2.323 10 0 CEAERO CCOC(=O)C1CC[NH+]([C@@H]2CCOC3(CCC3)C2)CC1 ZINC000094410476 184794539 /nfs/dbraw/zinc/79/45/39/184794539.db2.gz BGARQCLUBNBKFP-CQSZACIVSA-N 1 0 281.396 2.363 10 0 CEAERO Cc1nn([C@H]2CCO[C@@]3(CCSC3)C2)c(C)c1CC[NH3+] ZINC000094413201 184794678 /nfs/dbraw/zinc/79/46/78/184794678.db2.gz ZPJBEWMQAXBPOY-ZFWWWQNUSA-N 1 0 295.452 2.228 10 0 CEAERO COCC[NH2+]CC[C@](C)(O)[C@H]1CCOC2(CCCC2)C1 ZINC000094418773 184794845 /nfs/dbraw/zinc/79/48/45/184794845.db2.gz AAAPCHFVIFOKFR-GJZGRUSLSA-N 1 0 285.428 2.103 10 0 CEAERO Cc1nccn1CCN1C[C@H](C)[NH2+]Cc2ccccc21 ZINC000094420757 184795384 /nfs/dbraw/zinc/79/53/84/184795384.db2.gz MLFJFEAUGKSFJC-ZDUSSCGKSA-N 1 0 270.380 2.190 10 0 CEAERO CC(C)n1nccc1NC(=O)[C@H]1CCCCC[C@H]1[NH3+] ZINC000094748997 184852346 /nfs/dbraw/zinc/85/23/46/184852346.db2.gz LEDVYGRIPCMJSI-NWDGAFQWSA-N 1 0 264.373 2.310 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NC[C@H]1CC=CCC1 ZINC000094753176 184852831 /nfs/dbraw/zinc/85/28/31/184852831.db2.gz VOHPQMYHQNKISW-MELADBBJSA-N 1 0 250.386 2.367 10 0 CEAERO CCOCCOCc1ccc(C[NH2+]CC(C)C)cn1 ZINC000094759479 184854923 /nfs/dbraw/zinc/85/49/23/184854923.db2.gz SUUCVLZKEKVTMN-UHFFFAOYSA-N 1 0 266.385 2.380 10 0 CEAERO COC(=O)c1ccc(C[NH2+][C@@H](C)CC(C)C)nc1 ZINC000094759786 184855014 /nfs/dbraw/zinc/85/50/14/184855014.db2.gz CBBIPGURWRQXTJ-NSHDSACASA-N 1 0 250.342 2.392 10 0 CEAERO CC[C@@]1(c2nc([C@@]3(C)CCCO3)no2)CCC[NH2+]C1 ZINC000094780747 184862206 /nfs/dbraw/zinc/86/22/06/184862206.db2.gz ZTKBGHLJKKRWCL-ZIAGYGMSSA-N 1 0 265.357 2.126 10 0 CEAERO CC[NH2+][C@@H](Cc1ncnn1CC(C)C)[C@@]1(C)CCCO1 ZINC000094783774 184862741 /nfs/dbraw/zinc/86/27/41/184862741.db2.gz PEAQXGDEZHWVEZ-DZGCQCFKSA-N 1 0 280.416 2.024 10 0 CEAERO CC[NH2+][C@@H](Cc1cc(CC)nn1C)[C@]1(C)CCCO1 ZINC000094784196 184863298 /nfs/dbraw/zinc/86/32/98/184863298.db2.gz LRTVMMIUMFVGOB-GJZGRUSLSA-N 1 0 265.401 2.072 10 0 CEAERO CC[NH2+][C@H](C)CCc1nc([C@@]2(C)CCCO2)no1 ZINC000094786087 184863747 /nfs/dbraw/zinc/86/37/47/184863747.db2.gz FUVMETRAXARSCZ-ZWNOBZJWSA-N 1 0 253.346 2.026 10 0 CEAERO CCCCCCOC[C@H](O)C[NH2+]C[C@]1(C)CCCO1 ZINC000094801959 184868081 /nfs/dbraw/zinc/86/80/81/184868081.db2.gz KSWBRHQTVLYSSK-CABCVRRESA-N 1 0 273.417 2.103 10 0 CEAERO CCC1(CC)CC[N@H+](CCC[C@](C)([NH3+])C(=O)[O-])C1 ZINC000094810130 184871874 /nfs/dbraw/zinc/87/18/74/184871874.db2.gz LOLPXKPOOFOIEB-ZDUSSCGKSA-N 1 0 256.390 2.081 10 0 CEAERO CC(=O)N1CCC([NH2+][C@@H]2CSCCC2(C)C)CC1 ZINC000094483025 184808817 /nfs/dbraw/zinc/80/88/17/184808817.db2.gz MQKREXQOFPDPMZ-CYBMUJFWSA-N 1 0 270.442 2.119 10 0 CEAERO CC1(C)CCSC[C@@H]1[NH2+][C@H]1CCN(C2CC2)C1 ZINC000094483555 184808889 /nfs/dbraw/zinc/80/88/89/184808889.db2.gz OBBQGKCUJUGXNY-AAEUAGOBSA-N 1 0 254.443 2.344 10 0 CEAERO CCOC(=O)CCC[NH2+][C@H]1CSCC(C)(C)C1 ZINC000094488884 184809304 /nfs/dbraw/zinc/80/93/04/184809304.db2.gz CGLUNBGPOSFEGB-LLVKDONJSA-N 1 0 259.415 2.451 10 0 CEAERO C[NH2+][C@H](Cc1cc(C)ccc1OC)[C@H]1CSCCO1 ZINC000094502699 184811549 /nfs/dbraw/zinc/81/15/49/184811549.db2.gz NRZVNKIPCYWJBE-UKRRQHHQSA-N 1 0 281.421 2.266 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccncc1)[C@@H]1CSCCO1 ZINC000094504961 184812292 /nfs/dbraw/zinc/81/22/92/184812292.db2.gz KCAAZUHOCKMKSG-KBPBESRZSA-N 1 0 266.410 2.124 10 0 CEAERO Cc1nc([C@@H]2CSCCO2)nc(C)c1CC[NH2+]C1CC1 ZINC000094505469 184812391 /nfs/dbraw/zinc/81/23/91/184812391.db2.gz HQJQHDDVTDWSBP-AWEZNQCLSA-N 1 0 293.436 2.192 10 0 CEAERO CCC[N@@H+]1CCC[C@]2(CC1)C(N)=NC(=O)N2C(C)C ZINC000094515570 184813434 /nfs/dbraw/zinc/81/34/34/184813434.db2.gz YTYJOLNTNGTPDX-AWEZNQCLSA-N 1 0 266.389 2.032 10 0 CEAERO CCc1ccsc1-c1nc([C@H](C)N2CC[NH2+]CC2)no1 ZINC000094532603 184814302 /nfs/dbraw/zinc/81/43/02/184814302.db2.gz JNTRTJFCGQTHKZ-JTQLQIEISA-N 1 0 292.408 2.327 10 0 CEAERO C[C@@H]1C[C@H]([NH3+])CN(Cc2cnn(-c3ccccc3)c2)C1 ZINC000094547912 184815654 /nfs/dbraw/zinc/81/56/54/184815654.db2.gz SRRZUIQOGHKSCM-HIFRSBDPSA-N 1 0 270.380 2.041 10 0 CEAERO C[C@H]1C[C@H]([NH3+])CN(Cc2cc(F)c(F)c(F)c2)C1 ZINC000094548011 184815729 /nfs/dbraw/zinc/81/57/29/184815729.db2.gz COSQSQZYMLSEKY-WPRPVWTQSA-N 1 0 258.287 2.273 10 0 CEAERO C[C@]12CC3CC(NC(=O)[C@@H]4CC[NH2+]C4)(C1)C[C@@](C)(C3)C2 ZINC000094544606 184816269 /nfs/dbraw/zinc/81/62/69/184816269.db2.gz DIRXZSIITRJMRX-OEKQDRQZSA-N 1 0 276.424 2.461 10 0 CEAERO C[C@@H]1C[C@@H]([NH3+])CN(Cc2nc(-c3ccc(F)cc3)no2)C1 ZINC000094551849 184817192 /nfs/dbraw/zinc/81/71/92/184817192.db2.gz WKXSZRJNFVTLDF-ZWNOBZJWSA-N 1 0 290.342 2.045 10 0 CEAERO CCC(CC)N(CC(C)C)C(=O)[C@H]1CC[C@@H](C[NH3+])O1 ZINC000094573313 184821542 /nfs/dbraw/zinc/82/15/42/184821542.db2.gz KMYPYONQKWOILU-UONOGXRCSA-N 1 0 270.417 2.166 10 0 CEAERO CC[C@H]([NH3+])Cc1nc(-c2ccc(Cl)cn2)no1 ZINC000094845511 184878556 /nfs/dbraw/zinc/87/85/56/184878556.db2.gz JAMADSJBCICHRT-QMMMGPOBSA-N 1 0 252.705 2.065 10 0 CEAERO C[NH2+][C@H]1CCC[C@@H](S(=O)(=O)c2cccc(F)c2)C1 ZINC000094624759 184828530 /nfs/dbraw/zinc/82/85/30/184828530.db2.gz UUTFZAADCZNWCU-WCQYABFASA-N 1 0 271.357 2.130 10 0 CEAERO CS(=O)(=O)[C@@H]1CCC[C@H](C[C@@H]2CCCC[NH2+]2)C1 ZINC000094643789 184832346 /nfs/dbraw/zinc/83/23/46/184832346.db2.gz FOENSVMBAODXCX-FRRDWIJNSA-N 1 0 259.415 2.122 10 0 CEAERO CC[C@]([NH3+])(C(C)C)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094640206 184832381 /nfs/dbraw/zinc/83/23/81/184832381.db2.gz KIEHEPNSHHTTDU-AGIUHOORSA-N 1 0 261.431 2.353 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1cccc(F)c1F ZINC000094647380 184832791 /nfs/dbraw/zinc/83/27/91/184832791.db2.gz GMCTWZJNPQRSAM-BDAKNGLRSA-N 1 0 254.280 2.291 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1cc(F)cc(F)c1 ZINC000094647044 184833282 /nfs/dbraw/zinc/83/32/82/184833282.db2.gz YRXDGXLVFLJTDD-PELKAZGASA-N 1 0 254.280 2.291 10 0 CEAERO C[NH2+][C@@H](CCCOC)c1cc(OC)cc(OC)c1 ZINC000094651209 184834319 /nfs/dbraw/zinc/83/43/19/184834319.db2.gz YXDNWZHGIWBRIX-AWEZNQCLSA-N 1 0 253.342 2.391 10 0 CEAERO CC(C)Cn1ncnc1C[C@H](C)[C@H](C)[NH2+]C1CC1 ZINC000094655210 184835684 /nfs/dbraw/zinc/83/56/84/184835684.db2.gz LQCBLWOYVUIGCH-RYUDHWBXSA-N 1 0 250.390 2.253 10 0 CEAERO COCC[NH2+][C@H](C)[C@@H](C)Cc1c(Cl)c(C)nn1C ZINC000094656348 184835875 /nfs/dbraw/zinc/83/58/75/184835875.db2.gz UGCBKIBMVYCENB-VHSXEESVSA-N 1 0 273.808 2.185 10 0 CEAERO COc1cccc(CN(C)C(=O)[C@H](C[NH3+])CC(C)C)c1 ZINC000094698289 184842798 /nfs/dbraw/zinc/84/27/98/184842798.db2.gz VOZZIHISTLYHQK-AWEZNQCLSA-N 1 0 278.396 2.275 10 0 CEAERO CN(C(=O)Cc1cccc(F)c1F)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000094713663 184845577 /nfs/dbraw/zinc/84/55/77/184845577.db2.gz HLBKOQQPIVZHJX-OCCSQVGLSA-N 1 0 296.361 2.483 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1CNC(=O)Cc1cccc(F)c1F ZINC000094714884 184845911 /nfs/dbraw/zinc/84/59/11/184845911.db2.gz WFNOKZSKRHBJAU-AAEUAGOBSA-N 1 0 282.334 2.141 10 0 CEAERO C[NH2+]CC1(Cc2nc(C)c(C)s2)CCOCC1 ZINC000094977373 184909437 /nfs/dbraw/zinc/90/94/37/184909437.db2.gz CPGSKVDNSQKWOW-UHFFFAOYSA-N 1 0 254.399 2.319 10 0 CEAERO Cc1nc(C[C@]2(C[NH3+])CCCC[C@H]2O)sc1C ZINC000094981835 184909914 /nfs/dbraw/zinc/90/99/14/184909914.db2.gz GHBBNEVLPMKYHZ-YPMHNXCESA-N 1 0 254.399 2.182 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccncc1)N(C)CCOCC1CC1 ZINC000094983725 184910021 /nfs/dbraw/zinc/91/00/21/184910021.db2.gz NTVFIHJBDMVSHI-HOTGVXAUSA-N 1 0 277.412 2.218 10 0 CEAERO Cc1nc(C[C@@]2(C[NH3+])CCC(C)(C)[C@@H]2O)sc1C ZINC000094981950 184910208 /nfs/dbraw/zinc/91/02/08/184910208.db2.gz VDQWCSDLBBDISP-GXTWGEPZSA-N 1 0 268.426 2.428 10 0 CEAERO C[N@H+](CCOCC1CC1)[C@@H]1CCCCCC[C@@H]1O ZINC000094992226 184910626 /nfs/dbraw/zinc/91/06/26/184910626.db2.gz KMWYIFHRSBHDQD-CABCVRRESA-N 1 0 255.402 2.429 10 0 CEAERO CN(CCOCC1CC1)c1ccc(F)cc1CC[NH3+] ZINC000094995360 184912591 /nfs/dbraw/zinc/91/25/91/184912591.db2.gz AHZDUYUPUNFXGM-UHFFFAOYSA-N 1 0 266.360 2.190 10 0 CEAERO CC[NH2+][C@H](C)c1ccnc(SCCC(=O)OC)c1 ZINC000095002479 184913528 /nfs/dbraw/zinc/91/35/28/184913528.db2.gz CNKHVLTYBLQIOG-SNVBAGLBSA-N 1 0 268.382 2.407 10 0 CEAERO COc1ncccc1CN1CC[NH2+][C@@H](C2CCCCC2)C1 ZINC000095011194 184915182 /nfs/dbraw/zinc/91/51/82/184915182.db2.gz RRHAGDMZRUSLFF-MRXNPFEDSA-N 1 0 289.423 2.444 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@H](C2CC2)CN1Cc1cccnc1OC ZINC000095011648 184915574 /nfs/dbraw/zinc/91/55/74/184915574.db2.gz YNSYYGJXKFJBHI-HZPDHXFCSA-N 1 0 289.423 2.443 10 0 CEAERO CCC[C@H]1CN(Cc2cccnc2OC)CCC[NH2+]1 ZINC000095011728 184915588 /nfs/dbraw/zinc/91/55/88/184915588.db2.gz NMXXBMIDEWHBCF-AWEZNQCLSA-N 1 0 263.385 2.054 10 0 CEAERO COCCCC(=O)N(c1ccc(C[NH3+])cc1)C1CC1 ZINC000095033587 184919783 /nfs/dbraw/zinc/91/97/83/184919783.db2.gz QALHTBBBGAJWRY-UHFFFAOYSA-N 1 0 262.353 2.067 10 0 CEAERO C[C@@H]1CC[C@H](CNC(=O)Cc2ccc(F)c(F)c2)C[NH2+]1 ZINC000095048539 184924117 /nfs/dbraw/zinc/92/41/17/184924117.db2.gz ZDJQIWKHJJQTJC-PWSUYJOCSA-N 1 0 282.334 2.012 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1CNC(=O)Cc1c(F)cccc1F ZINC000095061988 184926655 /nfs/dbraw/zinc/92/66/55/184926655.db2.gz RVAOOEMUMGAHLI-NWDGAFQWSA-N 1 0 296.361 2.389 10 0 CEAERO CN(C[C@H]1CCCC[NH2+]1)c1cccc(Br)n1 ZINC000095070775 184933095 /nfs/dbraw/zinc/93/30/95/184933095.db2.gz NCVXCGJIUKTMJA-SNVBAGLBSA-N 1 0 284.201 2.422 10 0 CEAERO CN(C(=O)[C@@H]1C=C[C@H]([NH3+])C1)C1CCC(C)(C)CC1 ZINC000094858421 184882864 /nfs/dbraw/zinc/88/28/64/184882864.db2.gz MGIKGSWDNBISOS-NEPJUHHUSA-N 1 0 250.386 2.317 10 0 CEAERO CC(C)C[NH2+]CCN(C)c1ncnc2c1CCCCC2 ZINC000094888451 184888603 /nfs/dbraw/zinc/88/86/03/184888603.db2.gz JWDFICCDJOXFGA-UHFFFAOYSA-N 1 0 276.428 2.427 10 0 CEAERO Cc1ccc(C2CC([NH2+][C@@H]3CCC(=O)N[C@@H]3C)C2)cc1 ZINC000282127220 195513609 /nfs/dbraw/zinc/51/36/09/195513609.db2.gz BDTBLWKHFVIZSW-TWRYWWQQSA-N 1 0 272.392 2.498 10 0 CEAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]CCCCc1ccccc1 ZINC000282251770 195552052 /nfs/dbraw/zinc/55/20/52/195552052.db2.gz GPFQJXBWYMHIQZ-UKRRQHHQSA-N 1 0 260.381 2.266 10 0 CEAERO c1ccc(CCN2CC[C@@H]([NH2+][C@H]3CCCOC3)C2)cc1 ZINC000250810127 131126999 /nfs/dbraw/zinc/12/69/99/131126999.db2.gz KNICGWURTWFITR-SJORKVTESA-N 1 0 274.408 2.072 10 0 CEAERO C[C@@H]([NH3+])C(=O)N[C@@H](CCc1ccccc1)C(F)(F)F ZINC000262098445 131191060 /nfs/dbraw/zinc/19/10/60/131191060.db2.gz CILQTNHEJNKYDM-KOLCDFICSA-N 1 0 274.286 2.014 10 0 CEAERO Cc1cc([C@H](NC(=O)[C@H](C)[NH3+])C2CC2)ccc1F ZINC000262694658 131251218 /nfs/dbraw/zinc/25/12/18/131251218.db2.gz CJOFIMVAWDSIQE-TVQRCGJNSA-N 1 0 250.317 2.049 10 0 CEAERO C[C@@H]1CCc2ccccc2N1C(=O)[C@]1(C)CC[NH2+]C1 ZINC000062887773 134931980 /nfs/dbraw/zinc/93/19/80/134931980.db2.gz UWZKCVMKBVSRPP-MLGOLLRUSA-N 1 0 258.365 2.354 10 0 CEAERO Cc1ccc(-c2ccc(N3CCC[C@@H]([NH3+])C3)nn2)cc1 ZINC000070458468 134949250 /nfs/dbraw/zinc/94/92/50/134949250.db2.gz QKSDLADCRQAGPD-CQSZACIVSA-N 1 0 268.364 2.380 10 0 CEAERO Cc1cccc(N2CCN([C@@H]3CC[NH2+]C[C@@H]3C)CC2)c1 ZINC000070488891 134950641 /nfs/dbraw/zinc/95/06/41/134950641.db2.gz INGASDVWTWPCHE-DOTOQJQBSA-N 1 0 273.424 2.115 10 0 CEAERO CC(C)[NH2+]C[C@@H](C)CN1c2ccccc2O[C@H](C)C1=O ZINC000070527128 134952427 /nfs/dbraw/zinc/95/24/27/134952427.db2.gz LNIRBSMFKFROMZ-CHWSQXEVSA-N 1 0 276.380 2.435 10 0 CEAERO CCOc1ccc(OCC)c(N2CCC[C@@H]([NH3+])C2)c1 ZINC000071198120 134961399 /nfs/dbraw/zinc/96/13/99/134961399.db2.gz SNNURMYVRXXFPV-GFCCVEGCSA-N 1 0 264.369 2.412 10 0 CEAERO CC1(C)C[NH2+]CCN1c1ccc(Br)cn1 ZINC000082479286 135007367 /nfs/dbraw/zinc/00/73/67/135007367.db2.gz HAKYTEYLUOOVON-UHFFFAOYSA-N 1 0 270.174 2.032 10 0 CEAERO COc1cc(F)ccc1N1CC[NH2+]C[C@@H]1C(C)C ZINC000083393386 135018070 /nfs/dbraw/zinc/01/80/70/135018070.db2.gz IRCNLTAICBFJOV-CYBMUJFWSA-N 1 0 252.333 2.269 10 0 CEAERO C[C@@H]1C[NH2+]CCN1c1ccccc1OC(F)(F)F ZINC000083433805 135020874 /nfs/dbraw/zinc/02/08/74/135020874.db2.gz CENBOVOQEHEBJQ-SECBINFHSA-N 1 0 260.259 2.383 10 0 CEAERO CC[C@@H]1C[NH2+]CCN1c1ccc(C(F)(F)F)nc1 ZINC000083431695 135021104 /nfs/dbraw/zinc/02/11/04/135021104.db2.gz OSCWWSWKAAFTNT-SECBINFHSA-N 1 0 259.275 2.289 10 0 CEAERO CC[C@@](C[NH3+])(C1CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000086120032 135038559 /nfs/dbraw/zinc/03/85/59/135038559.db2.gz VPGLVUGQRVUKBY-QGZVFWFLSA-N 1 0 291.414 2.465 10 0 CEAERO [NH3+][C@@H]1Cc2ccccc2N(CC2(O)CCCCC2)C1 ZINC000087458905 135050196 /nfs/dbraw/zinc/05/01/96/135050196.db2.gz VHVPQSMXKFXNCQ-CQSZACIVSA-N 1 0 260.381 2.072 10 0 CEAERO [NH3+]Cc1cc(N2CCC[C@@H](C(F)(F)F)C2)ccn1 ZINC000088416198 135054027 /nfs/dbraw/zinc/05/40/27/135054027.db2.gz KGDZHLRZIUMANQ-SECBINFHSA-N 1 0 259.275 2.319 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1Nc1ccccc1N1CCOCC1 ZINC000089148978 135058422 /nfs/dbraw/zinc/05/84/22/135058422.db2.gz KMSIVKPYMNPSDO-ZIAGYGMSSA-N 1 0 275.396 2.063 10 0 CEAERO CN1CCN(C(=O)[C@H]2CCCC[C@@H]2C[NH3+])c2ccccc21 ZINC000089399829 135059266 /nfs/dbraw/zinc/05/92/66/135059266.db2.gz GHLACLUHHNFLIE-KGLIPLIRSA-N 1 0 287.407 2.235 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCCc2ccccc21 ZINC000089449798 135059435 /nfs/dbraw/zinc/05/94/35/135059435.db2.gz DXMRVUPYRQBWQX-KBPBESRZSA-N 1 0 258.365 2.341 10 0 CEAERO O=C(C[C@H]1CC[NH2+]C1)N1CCSc2ccccc21 ZINC000089747007 135060421 /nfs/dbraw/zinc/06/04/21/135060421.db2.gz GGBKSEBOFWWGQP-LLVKDONJSA-N 1 0 262.378 2.125 10 0 CEAERO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000089732863 135060450 /nfs/dbraw/zinc/06/04/50/135060450.db2.gz CMGUAWDYRPKOEO-BFHYXJOUSA-N 1 0 262.401 2.470 10 0 CEAERO CCn1nc(C)cc1C(=O)N1CC[C@H]([NH3+])c2ccccc21 ZINC000090122372 135062260 /nfs/dbraw/zinc/06/22/60/135062260.db2.gz AFGBKKCWXNDYRP-ZDUSSCGKSA-N 1 0 284.363 2.262 10 0 CEAERO Cc1ccnc(N2CCC(C[NH3+])CC2)c1Br ZINC000235919287 135063730 /nfs/dbraw/zinc/06/37/30/135063730.db2.gz QKAVQDRXCYDPSM-UHFFFAOYSA-N 1 0 284.201 2.328 10 0 CEAERO CCC[NH2+]C[C@H]1CCCN(c2ncnc(OCC)c2C)C1 ZINC000090789902 135065483 /nfs/dbraw/zinc/06/54/83/135065483.db2.gz HHUYSQPJFHMSPO-CQSZACIVSA-N 1 0 292.427 2.400 10 0 CEAERO CCOc1ncnc(N2CCC(C[NH2+]C(C)C)CC2)c1C ZINC000090789872 135065663 /nfs/dbraw/zinc/06/56/63/135065663.db2.gz TWGSXGHRVIOJTC-UHFFFAOYSA-N 1 0 292.427 2.398 10 0 CEAERO CCOc1cc(N2CCC(C[NH2+]C(C)C)CC2)nc(C)n1 ZINC000090788121 135065689 /nfs/dbraw/zinc/06/56/89/135065689.db2.gz OEAXWNOSDHKLRS-UHFFFAOYSA-N 1 0 292.427 2.398 10 0 CEAERO Clc1cc(C[NH2+]C2CC2)cnc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090907740 135066648 /nfs/dbraw/zinc/06/66/48/135066648.db2.gz HOEKEQWACWWJCR-BETUJISGSA-N 1 0 293.798 2.355 10 0 CEAERO O=C(C[C@@H]1CSCC[NH2+]1)N1CCSc2ccccc21 ZINC000091138368 135067124 /nfs/dbraw/zinc/06/71/24/135067124.db2.gz SVBGSDBWHMMEIR-LLVKDONJSA-N 1 0 294.445 2.220 10 0 CEAERO C[C@@H]([NH3+])C(C)(C)CN1CCN(c2ccccc2F)CC1 ZINC000091402158 135068908 /nfs/dbraw/zinc/06/89/08/135068908.db2.gz MMAPZRLZQMTJTQ-CYBMUJFWSA-N 1 0 279.403 2.321 10 0 CEAERO CC(C)(C)[NH2+]Cc1cncc(N2CCO[C@@H]3CCC[C@@H]32)n1 ZINC000091420233 135069407 /nfs/dbraw/zinc/06/94/07/135069407.db2.gz FYSWYPLPBKKCNC-UONOGXRCSA-N 1 0 290.411 2.122 10 0 CEAERO CNc1cc[nH+]c(CN2C(=O)COc3ccccc32)c1 ZINC000092419549 135076117 /nfs/dbraw/zinc/07/61/17/135076117.db2.gz NFQGGNGNUWWMJU-UHFFFAOYSA-N 1 0 269.304 2.049 10 0 CEAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ncc(CO)cc1Cl ZINC000094440246 135088517 /nfs/dbraw/zinc/08/85/17/135088517.db2.gz SQUZQDNCKSBUTO-WCQYABFASA-N 1 0 295.814 2.290 10 0 CEAERO Cc1cnc(Cl)nc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094442652 135088895 /nfs/dbraw/zinc/08/88/95/135088895.db2.gz FCLPFYIPNPQMAU-LLVKDONJSA-N 1 0 266.776 2.113 10 0 CEAERO CC[C@@H]([NH3+])Cc1c(C)nn(C)c1N(CC)CC1CC1 ZINC000069265174 522641228 /nfs/dbraw/zinc/64/12/28/522641228.db2.gz IXXAGBDXVFWQPW-CYBMUJFWSA-N 1 0 264.417 2.245 10 0 CEAERO NC(=S)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000306618103 394516895 /nfs/dbraw/zinc/51/68/95/394516895.db2.gz RYUOHLVYSGBBJP-UHFFFAOYSA-N 1 0 289.448 2.218 10 0 CEAERO CC(C)[NH+]1CCC2(CC1)NC(=O)c1ccccc1O2 ZINC000020387654 394472242 /nfs/dbraw/zinc/47/22/42/394472242.db2.gz ILYYQEWVDSWTTR-UHFFFAOYSA-N 1 0 260.337 2.009 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](C(=O)N[C@@H]2CCCc3sccc32)C1 ZINC000227811641 394474378 /nfs/dbraw/zinc/47/43/78/394474378.db2.gz KZSXMDFPVZGYSL-CKYFFXLPSA-N 1 0 264.394 2.369 10 0 CEAERO CC[C@H](C)[N@H+](C)CCNc1nccnc1C(C)C ZINC000413110710 394484505 /nfs/dbraw/zinc/48/45/05/394484505.db2.gz HZAAVCLTUSXAOT-LBPRGKRZSA-N 1 0 250.390 2.164 10 0 CEAERO O=C(NC1(c2ccc(F)cc2)CCCC1)[C@@H]1CC[NH2+]C1 ZINC000237743082 394492576 /nfs/dbraw/zinc/49/25/76/394492576.db2.gz RZXTXPGLGGBIQK-GFCCVEGCSA-N 1 0 276.355 2.321 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1C(=O)CCOc1ccc(Cl)cc1 ZINC000237825970 394492961 /nfs/dbraw/zinc/49/29/61/394492961.db2.gz DKVUACYQZFWKMF-ZDUSSCGKSA-N 1 0 296.798 2.449 10 0 CEAERO C[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@@H](N3CCOCC3)C2)C1 ZINC000245527977 394501119 /nfs/dbraw/zinc/50/11/19/394501119.db2.gz DINWNNMOYAWLLI-BZUAXINKSA-N 1 0 266.429 2.219 10 0 CEAERO C[C@@H]1CN(c2c(F)c(F)nc(F)c2F)C[C@H]1[NH+](C)C ZINC000251844173 394569926 /nfs/dbraw/zinc/56/99/26/394569926.db2.gz QTVBNTKOGQULMH-RNFRBKRXSA-N 1 0 277.265 2.024 10 0 CEAERO Cc1ncsc1C[N@H+](C)C[C@H](O)COC(C)(C)C ZINC000066666629 394577497 /nfs/dbraw/zinc/57/74/97/394577497.db2.gz CAQUNSPLDNPLOS-NSHDSACASA-N 1 0 272.414 2.059 10 0 CEAERO C[C@H](NC(N)=[NH2+])c1c(F)cccc1Br ZINC000306657873 394517169 /nfs/dbraw/zinc/51/71/69/394517169.db2.gz NGLUQLNHWZMRSU-YFKPBYRVSA-N 1 0 260.110 2.132 10 0 CEAERO Cc1cc(Br)c(C(=O)NCC[NH3+])cc1Cl ZINC000306771284 394517930 /nfs/dbraw/zinc/51/79/30/394517930.db2.gz CHAHSFSZYGRJMW-UHFFFAOYSA-N 1 0 291.576 2.099 10 0 CEAERO C[C@@H]1CN(Cc2ccccc2)CCN1[C@H]1CCCC1=O ZINC000306789649 394517979 /nfs/dbraw/zinc/51/79/79/394517979.db2.gz UCWQXVFXCCHQGS-ZBFHGGJFSA-N 1 0 272.392 2.314 10 0 CEAERO [NH3+][C@@H]1CSC[C@@H]1Cc1ccc(Br)o1 ZINC000306774547 394518134 /nfs/dbraw/zinc/51/81/34/394518134.db2.gz VWAJXDBXPPRQLO-POYBYMJQSA-N 1 0 262.172 2.275 10 0 CEAERO C[C@H]1CC[NH2+]C12CCN(C(=O)OC(C)(C)C)CC2 ZINC000306851118 394519214 /nfs/dbraw/zinc/51/92/14/394519214.db2.gz QEEHVUNZXAKFIK-NSHDSACASA-N 1 0 254.374 2.386 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1csc(C)n1 ZINC000246974607 394524306 /nfs/dbraw/zinc/52/43/06/394524306.db2.gz NXDUDVHNWSDCJY-KGLIPLIRSA-N 1 0 293.436 2.079 10 0 CEAERO CC(C)N1CCC[C@H]([N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)C1=O ZINC000247123034 394527169 /nfs/dbraw/zinc/52/71/69/394527169.db2.gz AMOLIRULAJVDIG-ZOBUZTSGSA-N 1 0 294.439 2.013 10 0 CEAERO CCN1CCC[C@@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000309999879 394534246 /nfs/dbraw/zinc/53/42/46/394534246.db2.gz DJMPNRXYLVVBJB-CYBMUJFWSA-N 1 0 299.459 2.364 10 0 CEAERO COc1cc(F)cc(C[NH2+][C@H]2CCCC[C@H]2O)c1 ZINC000312269218 394540758 /nfs/dbraw/zinc/54/07/58/394540758.db2.gz YWBRKVKMNDZVHK-UONOGXRCSA-N 1 0 253.317 2.227 10 0 CEAERO C[C@@H]1C[C@@H]([NH2+]CCN2CCC(O)CC2)CC(C)(C)C1 ZINC000321513917 394547948 /nfs/dbraw/zinc/54/79/48/394547948.db2.gz GCCWBVSEPIVLOT-ZIAGYGMSSA-N 1 0 268.445 2.248 10 0 CEAERO CC(C)(C)[C@@H](O)C[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000324472045 394550104 /nfs/dbraw/zinc/55/01/04/394550104.db2.gz HGKCQSLJGHZWBA-HNNXBMFYSA-N 1 0 279.380 2.345 10 0 CEAERO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCCO[C@H]1C ZINC000249204037 394552646 /nfs/dbraw/zinc/55/26/46/394552646.db2.gz BEBNWAMNZVCRAY-QRJUGERDSA-N 1 0 296.455 2.284 10 0 CEAERO FC(F)(F)c1ccnc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261613646 394603976 /nfs/dbraw/zinc/60/39/76/394603976.db2.gz SUTPSMZXIWWXBL-KOLCDFICSA-N 1 0 271.286 2.289 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccn(-c4ccccc4)n3)C[C@H]12 ZINC000261680944 394605738 /nfs/dbraw/zinc/60/57/38/394605738.db2.gz MKGYIEXWZOEMSO-XOKHGSTOSA-N 1 0 282.391 2.041 10 0 CEAERO C[C@H]([NH3+])CC(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000261784250 394607485 /nfs/dbraw/zinc/60/74/85/394607485.db2.gz JUMODZXTTTTWIJ-QPUJVOFHSA-N 1 0 297.196 2.290 10 0 CEAERO Cc1cc(F)cc2c1CN(C[C@@H]1CCC[NH2+]C1)CC2 ZINC000261935928 394608947 /nfs/dbraw/zinc/60/89/47/394608947.db2.gz MBOCOCPJGFGTBY-CYBMUJFWSA-N 1 0 262.372 2.492 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]C2CCN(OC)CC2)c1C ZINC000421872481 394623266 /nfs/dbraw/zinc/62/32/66/394623266.db2.gz GVVXVBFJPODOAC-NSHDSACASA-N 1 0 280.416 2.196 10 0 CEAERO Cc1nc(Cl)cc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1 ZINC000083550667 394640913 /nfs/dbraw/zinc/64/09/13/394640913.db2.gz ODCXTIYIEILYAS-GXSJLCMTSA-N 1 0 266.776 2.111 10 0 CEAERO C[C@H]([NH2+]CCc1cn(C)cn1)c1ccc(Cl)cn1 ZINC000414129888 394711338 /nfs/dbraw/zinc/71/13/38/394711338.db2.gz WAYWPXGLHSTPKQ-JTQLQIEISA-N 1 0 264.760 2.362 10 0 CEAERO C[C@@H]1CCC[C@@H](NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000105151928 394721519 /nfs/dbraw/zinc/72/15/19/394721519.db2.gz QFOOXXZKLGWIPR-RBSFLKMASA-N 1 0 279.428 2.445 10 0 CEAERO CCOC(C[N@@H+]1CCCC[C@H]1c1cn[nH]c1)OCC ZINC000124978834 394841636 /nfs/dbraw/zinc/84/16/36/394841636.db2.gz AVOMLWKTHYSMJS-ZDUSSCGKSA-N 1 0 267.373 2.336 10 0 CEAERO FC(F)(F)COCC[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152217252 394990623 /nfs/dbraw/zinc/99/06/23/394990623.db2.gz GTTBVQBYCAGLHT-LBPRGKRZSA-N 1 0 290.285 2.114 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)N2CCC3(CCC3)C2)[C@@H](C)C1 ZINC000152246404 394990843 /nfs/dbraw/zinc/99/08/43/394990843.db2.gz RNCPFSCGRFFATA-KBPBESRZSA-N 1 0 279.428 2.301 10 0 CEAERO CC(C)(C)OCC[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152315865 394993440 /nfs/dbraw/zinc/99/34/40/394993440.db2.gz ZYTYPJYTWAESHL-AWEZNQCLSA-N 1 0 264.369 2.350 10 0 CEAERO CC[C@H](C)NC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000344141287 395050562 /nfs/dbraw/zinc/05/05/62/395050562.db2.gz LPXKFSFUSVIHHL-RWMBFGLXSA-N 1 0 253.390 2.053 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCc3ccccc32)C1 ZINC000164407948 395085462 /nfs/dbraw/zinc/08/54/62/395085462.db2.gz QMRPKXHAZHGVFG-HIFRSBDPSA-N 1 0 287.407 2.487 10 0 CEAERO C[C@H]1C[N@H+](C[C@H](O)COc2ccc(F)cc2)CCS1 ZINC000171694706 395097587 /nfs/dbraw/zinc/09/75/87/395097587.db2.gz UJWIUWFOZXRCMR-AAEUAGOBSA-N 1 0 285.384 2.003 10 0 CEAERO CCC[C@@H](C(=O)NCc1ccc(F)c(COC)c1)[NH+](C)C ZINC000179240620 395187040 /nfs/dbraw/zinc/18/70/40/395187040.db2.gz APAFCBSEFUHXHP-HNNXBMFYSA-N 1 0 296.386 2.319 10 0 CEAERO CC[C@@H](O)C[NH+]1CCN(CCCc2cccc(C)c2)CC1 ZINC000181122035 395210463 /nfs/dbraw/zinc/21/04/63/395210463.db2.gz PFSVPBYZBNQRFJ-GOSISDBHSA-N 1 0 290.451 2.316 10 0 CEAERO O[C@@H]1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1CCC1(O)CCC1 ZINC000396784146 395218025 /nfs/dbraw/zinc/21/80/25/395218025.db2.gz LVLJLOXRSFUILE-QLFBSQMISA-N 1 0 267.413 2.307 10 0 CEAERO CC[C@@H]1CN(C(=O)[C@@H](C)OCc2ccccc2)CC[C@H]1[NH3+] ZINC000404360239 395282766 /nfs/dbraw/zinc/28/27/66/395282766.db2.gz QDXQJNXDISYWGG-FVQBIDKESA-N 1 0 290.407 2.178 10 0 CEAERO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1c(C)nn(C)c1OC ZINC000187579329 395301723 /nfs/dbraw/zinc/30/17/23/395301723.db2.gz JPMVHLCIWGGIPZ-ZWNOBZJWSA-N 1 0 251.374 2.358 10 0 CEAERO CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401513177 395257264 /nfs/dbraw/zinc/25/72/64/395257264.db2.gz XMTFTVTUBQWYQE-ILXRZTDVSA-N 1 0 284.444 2.020 10 0 CEAERO C[C@H]1[C@@H](O)CCC[N@@H+]1CCc1c(F)cccc1F ZINC000402057141 395267623 /nfs/dbraw/zinc/26/76/23/395267623.db2.gz WMMPRLFIXMZRPW-HZMBPMFUSA-N 1 0 255.308 2.353 10 0 CEAERO OCC[C@H]1CC[N@H+](CCc2c(F)cccc2F)C1 ZINC000402096702 395267877 /nfs/dbraw/zinc/26/78/77/395267877.db2.gz MGKKSNDTGJLMHA-LLVKDONJSA-N 1 0 255.308 2.212 10 0 CEAERO CCC[C@@]1(COC)CCC[N@@H+]1C[C@H](O)COC(C)(C)C ZINC000194943807 395455072 /nfs/dbraw/zinc/45/50/72/395455072.db2.gz MEZQEYUUZRMLOM-HOCLYGCPSA-N 1 0 287.444 2.444 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)COc2c(C)cccc2C)C1 ZINC000194626232 395444080 /nfs/dbraw/zinc/44/40/80/395444080.db2.gz DJOITGJDAUEKIM-HNNXBMFYSA-N 1 0 290.407 2.283 10 0 CEAERO C[C@@H]1CN(Cc2ccccc2)CC[N@H+](CC2(O)CCC2)C1 ZINC000448552184 395515343 /nfs/dbraw/zinc/51/53/43/395515343.db2.gz OPJUDRICQMXUGA-MRXNPFEDSA-N 1 0 288.435 2.355 10 0 CEAERO C[C@@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000648023974 395809166 /nfs/dbraw/zinc/80/91/66/395809166.db2.gz SMGRMPLJCZUCPY-UISBYWKRSA-N 1 0 297.196 2.364 10 0 CEAERO [NH3+]C1CCC(C(=O)N2CCC[C@@H]2C2CCC2)CC1 ZINC000648050960 395819793 /nfs/dbraw/zinc/81/97/93/395819793.db2.gz AKHXFRUYVYRYQI-JXQTWKCFSA-N 1 0 250.386 2.295 10 0 CEAERO COCc1nc(C[NH2+]CCC[C@H]2CCOC2)cs1 ZINC000648815994 395991264 /nfs/dbraw/zinc/99/12/64/395991264.db2.gz CFWIIEFMUIUGCV-NSHDSACASA-N 1 0 270.398 2.196 10 0 CEAERO CC1(C)C[NH2+][C@H]1C(=O)N1CCCC[C@H]1c1nccs1 ZINC000649317747 396119586 /nfs/dbraw/zinc/11/95/86/396119586.db2.gz PZOMSKFDZVQBJI-QWRGUYRKSA-N 1 0 279.409 2.195 10 0 CEAERO COc1cc(OC)c(OC)cc1C[NH2+]CC[C@@H]1CCCO1 ZINC000037988652 400122996 /nfs/dbraw/zinc/12/29/96/400122996.db2.gz PBTKILIOAOSBEC-ZDUSSCGKSA-N 1 0 295.379 2.371 10 0 CEAERO COc1cccc(C[NH2+]CC[C@@H]2CCCO2)c1OC ZINC000037988598 400123409 /nfs/dbraw/zinc/12/34/09/400123409.db2.gz SQZZNACVGSVUSK-ZDUSSCGKSA-N 1 0 265.353 2.363 10 0 CEAERO COc1ccc(C[NH2+]CC[C@@H]2CCCO2)cc1F ZINC000037988558 400123515 /nfs/dbraw/zinc/12/35/15/400123515.db2.gz FSAIEODBOKAZCO-LBPRGKRZSA-N 1 0 253.317 2.493 10 0 CEAERO CCc1cc2c(ncnc2N(CC)CC[NH3+])s1 ZINC000111374691 400271307 /nfs/dbraw/zinc/27/13/07/400271307.db2.gz HUKZCGJODJYQSB-UHFFFAOYSA-N 1 0 250.371 2.039 10 0 CEAERO C[C@H]([NH3+])[C@@](C)(O)Cc1ccsc1Br ZINC000306557014 400335011 /nfs/dbraw/zinc/33/50/11/400335011.db2.gz NEEDLNXWYNXPLE-RCOVLWMOSA-N 1 0 264.188 2.151 10 0 CEAERO COCC1(C[NH2+][C@H](CC(C)C)CN(C)C)CCC1 ZINC000386561773 400527895 /nfs/dbraw/zinc/52/78/95/400527895.db2.gz VMYKSZJUGVGEQW-CQSZACIVSA-N 1 0 256.434 2.369 10 0 CEAERO C[C@H](NC(=O)[C@@H]([NH3+])CC(F)F)c1cc(F)ccc1F ZINC000388457085 400532621 /nfs/dbraw/zinc/53/26/21/400532621.db2.gz ZVUCIFHTAPSVLX-WKEGUHRASA-N 1 0 278.249 2.125 10 0 CEAERO OCC[N@@H+](Cc1ccccc1)C[C@@H]1CCC[C@@H](O)C1 ZINC000390806712 400542326 /nfs/dbraw/zinc/54/23/26/400542326.db2.gz KQRLCFCJCLETDM-HZPDHXFCSA-N 1 0 263.381 2.032 10 0 CEAERO CC[C@H]1CN(c2ccnc3cccnc32)CC[C@@H]1[NH3+] ZINC000394236115 400548257 /nfs/dbraw/zinc/54/82/57/400548257.db2.gz PCFWZVRAPWOMAO-RYUDHWBXSA-N 1 0 256.353 2.193 10 0 CEAERO C[C@@H]1[C@H](O)CCC[N@@H+]1C[C@@H]1CCOc2ccccc21 ZINC000394952649 400554438 /nfs/dbraw/zinc/55/44/38/400554438.db2.gz JAHKNYFDNWQUBB-VNHYZAJKSA-N 1 0 261.365 2.398 10 0 CEAERO c1cc(CNC2[C@@H]3C[C@H]2C[N@@H+](Cc2ccccc2)C3)n[nH]1 ZINC000399613838 400564212 /nfs/dbraw/zinc/56/42/12/400564212.db2.gz IQVAUMNKFHAYLA-FKEKPDDDSA-N 1 0 282.391 2.020 10 0 CEAERO Cc1nc(NCCC2CC[NH2+]CC2)ccc1Br ZINC000650312348 400868394 /nfs/dbraw/zinc/86/83/94/400868394.db2.gz UPWVUXFKSJLNTN-UHFFFAOYSA-N 1 0 298.228 2.376 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@]1(C)CCCS1 ZINC000246645299 297098435 /nfs/dbraw/zinc/09/84/35/297098435.db2.gz PCIXLOYEJHQJEK-IPYPFGDCSA-N 1 0 297.468 2.150 10 0 CEAERO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000032629472 292185802 /nfs/dbraw/zinc/18/58/02/292185802.db2.gz GYKPRYVYGWAFFY-CHWSQXEVSA-N 1 0 253.367 2.039 10 0 CEAERO CCOCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400455817 286098649 /nfs/dbraw/zinc/09/86/49/286098649.db2.gz PXLJKXGONHNNRR-QWHCGFSZSA-N 1 0 286.416 2.258 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cccc(F)c1Cl ZINC000189301443 153089622 /nfs/dbraw/zinc/08/96/22/153089622.db2.gz MNUZHDTVICXCRL-GZMMTYOYSA-N 1 0 270.735 2.349 10 0 CEAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CC[C@@H]1CCCO1 ZINC000189509861 153098091 /nfs/dbraw/zinc/09/80/91/153098091.db2.gz PBBDUOSVVHRZRY-GJZGRUSLSA-N 1 0 263.385 2.225 10 0 CEAERO O[C@@H](C[N@@H+]1CC[C@@H](Oc2cccnc2)C1)C1CCCCC1 ZINC000190737553 153141679 /nfs/dbraw/zinc/14/16/79/153141679.db2.gz WFMMFRGBYBOYAD-SJORKVTESA-N 1 0 290.407 2.476 10 0 CEAERO CC[C@@]1(CO)CCC[N@@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000191011754 153157675 /nfs/dbraw/zinc/15/76/75/153157675.db2.gz ZJAYPQJCFHHPHU-HNNXBMFYSA-N 1 0 265.401 2.375 10 0 CEAERO CCN(C)c1ccc(CN(C)C[C@@H]2CCC[N@@H+]2CC)cn1 ZINC000191346234 153168785 /nfs/dbraw/zinc/16/87/85/153168785.db2.gz DECPARPXMXIMCR-INIZCTEOSA-N 1 0 290.455 2.454 10 0 CEAERO CCN(C)c1ccc(C[NH2+][C@@H]2CN(C(C)C)C[C@@H]2C)cn1 ZINC000191313406 153169960 /nfs/dbraw/zinc/16/99/60/153169960.db2.gz NVEYLMBKAAYVSG-GOEBONIOSA-N 1 0 290.455 2.356 10 0 CEAERO CCn1cc([C@H]2CN(c3cc[nH+]cc3C)CCO2)cn1 ZINC000192910627 153222538 /nfs/dbraw/zinc/22/25/38/153222538.db2.gz YATLLSOZOWBAPG-OAHLLOKOSA-N 1 0 272.352 2.184 10 0 CEAERO CC(=O)CCCC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000192929883 153225372 /nfs/dbraw/zinc/22/53/72/153225372.db2.gz IZSVVKUUXUZFBN-OAHLLOKOSA-N 1 0 276.380 2.165 10 0 CEAERO CCc1nnc(C[N@H+](C)[C@H]2CCC[C@H](C)C2)n1C ZINC000195069758 153277994 /nfs/dbraw/zinc/27/79/94/153277994.db2.gz HIFJPSDAGFTIIG-RYUDHWBXSA-N 1 0 250.390 2.388 10 0 CEAERO C[C@H](CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000195309186 153281687 /nfs/dbraw/zinc/28/16/87/153281687.db2.gz DPFPWYSGAQTMLY-GDBMZVCRSA-N 1 0 272.392 2.487 10 0 CEAERO O=C(c1ccc(OC(F)F)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195309239 153284401 /nfs/dbraw/zinc/28/44/01/153284401.db2.gz WZSNUKBSRXWOFJ-GFCCVEGCSA-N 1 0 296.317 2.208 10 0 CEAERO O=C1CCCN1CCN1CCCC[C@@H]1c1nccs1 ZINC000195359810 153288735 /nfs/dbraw/zinc/28/87/35/153288735.db2.gz ILVPBRAWWISRMK-GFCCVEGCSA-N 1 0 279.409 2.293 10 0 CEAERO Cc1cnn(CC[NH2+]Cc2cccc3cc[nH]c32)c1 ZINC000223042055 153314784 /nfs/dbraw/zinc/31/47/84/153314784.db2.gz NLROFVPNGNLXNO-UHFFFAOYSA-N 1 0 254.337 2.463 10 0 CEAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ncc(Cl)s1 ZINC000225355494 153325194 /nfs/dbraw/zinc/32/51/94/153325194.db2.gz KTVQGKOCGLRUEV-RKDXNWHRSA-N 1 0 260.790 2.437 10 0 CEAERO Cc1cc(C)c(NC(=O)C[N@@H+]2CC[C@H](CCO)C2)c(C)c1 ZINC000227566057 153347888 /nfs/dbraw/zinc/34/78/88/153347888.db2.gz NMSJXWVKPXDIGF-OAHLLOKOSA-N 1 0 290.407 2.255 10 0 CEAERO C[C@H]1CCCN(c2nccc(C(C)(C)C)n2)[C@@H]1C[NH3+] ZINC000261613725 153790614 /nfs/dbraw/zinc/79/06/14/153790614.db2.gz SYGODZGZDHUXRD-NWDGAFQWSA-N 1 0 262.401 2.338 10 0 CEAERO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccn(-c4ccccc4)n3)C[C@@H]12 ZINC000261680929 153808426 /nfs/dbraw/zinc/80/84/26/153808426.db2.gz MKGYIEXWZOEMSO-IAOVAPTHSA-N 1 0 282.391 2.041 10 0 CEAERO CC[C@H](OC1CCCC1)C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261668216 153808559 /nfs/dbraw/zinc/80/85/59/153808559.db2.gz BODYQAGKCNSCEQ-UONOGXRCSA-N 1 0 282.428 2.310 10 0 CEAERO C[NH2+][C@@H](C)Cc1noc(-c2ccccc2-c2nc(C)no2)n1 ZINC000261726866 153818908 /nfs/dbraw/zinc/81/89/08/153818908.db2.gz JWZHJDYTPUWIPN-VIFPVBQESA-N 1 0 299.334 2.245 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000261723501 153820013 /nfs/dbraw/zinc/82/00/13/153820013.db2.gz KLEGYMVRPCEXRB-WRWORJQWSA-N 1 0 290.260 2.406 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)c1cccc(-c2cscn2)c1 ZINC000261750628 153830989 /nfs/dbraw/zinc/83/09/89/153830989.db2.gz NHBYNYOTYPOEIF-SNVBAGLBSA-N 1 0 275.377 2.148 10 0 CEAERO CC1(C)CN(C(=O)COc2cccc(Cl)c2)CC[C@H]1[NH3+] ZINC000261789283 153840177 /nfs/dbraw/zinc/84/01/77/153840177.db2.gz QGBUWEPONJYBDI-CYBMUJFWSA-N 1 0 296.798 2.305 10 0 CEAERO Cc1ccc(NC(=O)CN2CC[C@@H]([NH3+])C(C)(C)C2)c(F)c1 ZINC000261858740 153856945 /nfs/dbraw/zinc/85/69/45/153856945.db2.gz SBFMODSYQJLXMO-CQSZACIVSA-N 1 0 293.386 2.132 10 0 CEAERO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)CCc1ccnc2ccccc12 ZINC000261868240 153861400 /nfs/dbraw/zinc/86/14/00/153861400.db2.gz SACJFIROYLQWIG-ZIAGYGMSSA-N 1 0 297.402 2.363 10 0 CEAERO CC1(C)CN(C(=O)CCc2cccc(F)c2F)CC[C@@H]1[NH3+] ZINC000262040616 153905130 /nfs/dbraw/zinc/90/51/30/153905130.db2.gz QEUYXBKJSAHRLJ-ZDUSSCGKSA-N 1 0 296.361 2.483 10 0 CEAERO C[C@H]1CN(Cc2c(C3CC3)nc3sccn23)C[C@@H]1[NH3+] ZINC000262128855 153918543 /nfs/dbraw/zinc/91/85/43/153918543.db2.gz YAEMRKQGBICBIB-ONGXEEELSA-N 1 0 276.409 2.052 10 0 CEAERO COc1ccc(-c2ccnc(N3CCC(C[NH3+])CC3)n2)cc1 ZINC000262584447 153962517 /nfs/dbraw/zinc/96/25/17/153962517.db2.gz ZNJBDBIRSHFXSY-UHFFFAOYSA-N 1 0 298.390 2.327 10 0 CEAERO O[C@@H]1C[NH2+]C[C@@H]1CNCc1cccc(Oc2ccccc2)c1 ZINC000263230706 154037946 /nfs/dbraw/zinc/03/79/46/154037946.db2.gz NIOAYDKOHNVEJN-MAUKXSAKSA-N 1 0 298.386 2.149 10 0 CEAERO CN1CC[NH2+]C[C@H]1c1noc(C(C)(C)c2cccs2)n1 ZINC000263274272 154048895 /nfs/dbraw/zinc/04/88/95/154048895.db2.gz SQBUXIBIHCRQEK-JTQLQIEISA-N 1 0 292.408 2.033 10 0 CEAERO Cc1cccc(C2(CNC(=O)C3C[NH2+]C3)CCCC2)c1 ZINC000263328422 154058987 /nfs/dbraw/zinc/05/89/87/154058987.db2.gz UEAWPMDLORWCED-UHFFFAOYSA-N 1 0 272.392 2.142 10 0 CEAERO CCCC[C@@H](C)[NH2+]C1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263533658 154116309 /nfs/dbraw/zinc/11/63/09/154116309.db2.gz XYRSUCOOIXGGOC-LRVUVFPRSA-N 1 0 282.428 2.482 10 0 CEAERO Cc1nnc(NCC[NH2+]C2CCCCCC2)nc1C ZINC000165384292 162344195 /nfs/dbraw/zinc/34/41/95/162344195.db2.gz WNJLSZIPOIVTIP-UHFFFAOYSA-N 1 0 263.389 2.213 10 0 CEAERO CO[C@H]1CCN(Cc2ccc(F)cc2Cl)[C@H](C[NH3+])C1 ZINC000165817971 162347189 /nfs/dbraw/zinc/34/71/89/162347189.db2.gz ZEEHTZMZIYWBRP-STQMWFEESA-N 1 0 286.778 2.417 10 0 CEAERO CCC([NH3+])(CC)CNc1ccc(C(F)(F)F)nn1 ZINC000167126234 162358271 /nfs/dbraw/zinc/35/82/71/162358271.db2.gz IXNIDHVSQRNLRZ-UHFFFAOYSA-N 1 0 262.279 2.425 10 0 CEAERO Cn1nccc1C1CC[NH+](C[Si](C)(C)C)CC1 ZINC000171735985 162389870 /nfs/dbraw/zinc/38/98/70/162389870.db2.gz PJWFBBZQJHYQKJ-UHFFFAOYSA-N 1 0 251.450 2.477 10 0 CEAERO Cc1cnn([C@@H]2CCC[N@H+](CC3CCOCC3)C2)c1 ZINC000171829047 162390868 /nfs/dbraw/zinc/39/08/68/162390868.db2.gz IDFNODNGJIJXSI-OAHLLOKOSA-N 1 0 263.385 2.255 10 0 CEAERO C[C@H]1C[C@H](C[NH3+])CN1c1cncc(Br)c1 ZINC000261532084 162542452 /nfs/dbraw/zinc/54/24/52/162542452.db2.gz JATXJPUCAYALKU-DTWKUNHWSA-N 1 0 270.174 2.018 10 0 CEAERO Cc1ccc(Br)cc1CN[C@H]1CC[NH2+]C1 ZINC000258973935 162538230 /nfs/dbraw/zinc/53/82/30/162538230.db2.gz LPNGUEFXWVMHLB-LBPRGKRZSA-N 1 0 269.186 2.209 10 0 CEAERO CC(C)CCCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000172245584 165054642 /nfs/dbraw/zinc/05/46/42/165054642.db2.gz JIFWYHYQZHKIMP-UONOGXRCSA-N 1 0 267.417 2.301 10 0 CEAERO CC[C@H](C)[C@H](C)NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000172255444 165054839 /nfs/dbraw/zinc/05/48/39/165054839.db2.gz HJWDQMYYHMSGAP-XUXIUFHCSA-N 1 0 267.417 2.299 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc(C(C)C)no1 ZINC000175036607 165122360 /nfs/dbraw/zinc/12/23/60/165122360.db2.gz OYQMSRBQOUHKBN-QWHCGFSZSA-N 1 0 278.400 2.252 10 0 CEAERO CCCc1noc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CC)n1 ZINC000175043323 165124056 /nfs/dbraw/zinc/12/40/56/165124056.db2.gz NHUDUKXFLVBPOD-STQMWFEESA-N 1 0 278.400 2.081 10 0 CEAERO C[C@H](COCc1ccccc1)NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000178158018 165222594 /nfs/dbraw/zinc/22/25/94/165222594.db2.gz BIYWNHWDPFYHDP-RHSMWYFYSA-N 1 0 298.386 2.408 10 0 CEAERO [NH3+]C[C@H]1CCCN1C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000178272363 165232125 /nfs/dbraw/zinc/23/21/25/165232125.db2.gz XHBGWYTYYLEXDO-CYBMUJFWSA-N 1 0 269.348 2.245 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(C[S@](C)=O)c1C ZINC000178571954 165248681 /nfs/dbraw/zinc/24/86/81/165248681.db2.gz XTBVCSNJHPGVPB-NOPHNCEQSA-N 1 0 296.436 2.185 10 0 CEAERO C[C@@H]([NH3+])CCNS(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000178913244 165263916 /nfs/dbraw/zinc/26/39/16/165263916.db2.gz KXMFTMYTZRUHIO-SECBINFHSA-N 1 0 290.454 2.061 10 0 CEAERO O=C(c1cnc2ccc(F)cc2c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000179342346 165276173 /nfs/dbraw/zinc/27/61/73/165276173.db2.gz TXVIAYQECUXVDK-HNNXBMFYSA-N 1 0 299.349 2.294 10 0 CEAERO COCCC[C@H](C)[NH2+][C@H]1CCc2nnc(C(C)C)n2C1 ZINC000180520187 165311969 /nfs/dbraw/zinc/31/19/69/165311969.db2.gz IJBFHUAUTVSVNU-STQMWFEESA-N 1 0 280.416 2.121 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ncc(C)s1 ZINC000180527617 165314330 /nfs/dbraw/zinc/31/43/30/165314330.db2.gz QMHUOWQXSWYYHS-LBPRGKRZSA-N 1 0 253.415 2.368 10 0 CEAERO Cc1nc(C[C@@H]2CCC[N@H+](Cc3cnoc3C)C2)no1 ZINC000181682351 165352241 /nfs/dbraw/zinc/35/22/41/165352241.db2.gz UVMFWKZFJJCUMJ-LBPRGKRZSA-N 1 0 276.340 2.129 10 0 CEAERO COCc1ccsc1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000182375348 165369543 /nfs/dbraw/zinc/36/95/43/165369543.db2.gz YRQGEKMRNGSQDN-AAEUAGOBSA-N 1 0 296.436 2.353 10 0 CEAERO CCC[C@@H](C)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000183406261 165395532 /nfs/dbraw/zinc/39/55/32/165395532.db2.gz AYRKAWXDYKTUJD-KGLIPLIRSA-N 1 0 250.390 2.426 10 0 CEAERO CC(C)[NH2+]C[C@H](O)COc1cccc2c1CC=CC2 ZINC000005760478 170137793 /nfs/dbraw/zinc/13/77/93/170137793.db2.gz MMODIROKOSLUHP-AWEZNQCLSA-N 1 0 261.365 2.079 10 0 CEAERO CCCC[N@@H+]1Cc2cccc3[nH]c(=O)n(c32)C[C@@H]1C ZINC000005973476 170164599 /nfs/dbraw/zinc/16/45/99/170164599.db2.gz YMZVHRRSDRGQNS-NSHDSACASA-N 1 0 259.353 2.334 10 0 CEAERO [NH3+]Cc1ccc(OCc2ccc3c(c2)OCO3)cc1 ZINC000012395436 170484210 /nfs/dbraw/zinc/48/42/10/170484210.db2.gz NWBXHVGTKMOOKC-UHFFFAOYSA-N 1 0 257.289 2.453 10 0 CEAERO CCOC(=O)c1ccc(NC(=O)C[NH2+]C(C)(C)C)cc1 ZINC000016473571 170698607 /nfs/dbraw/zinc/69/86/07/170698607.db2.gz MPCRTXMJJCVFMQ-UHFFFAOYSA-N 1 0 278.352 2.190 10 0 CEAERO COc1ccc([C@H](C[NH3+])NC(=O)OC(C)(C)C)c(OC)c1 ZINC000019414498 170790663 /nfs/dbraw/zinc/79/06/63/170790663.db2.gz ZGJAIJXWRLTOKZ-LBPRGKRZSA-N 1 0 296.367 2.228 10 0 CEAERO CS(=O)(=O)c1ccc([C@@H]([NH3+])c2ccc(F)cc2F)cc1 ZINC000019968944 170951078 /nfs/dbraw/zinc/95/10/78/170951078.db2.gz WCMGFYNDWNLQPY-CQSZACIVSA-N 1 0 297.326 2.416 10 0 CEAERO Cc1ccc(C[NH3+])cc1S(=O)(=O)Nc1ccccc1F ZINC000020189540 171055709 /nfs/dbraw/zinc/05/57/09/171055709.db2.gz FOOOMWXSQBDUSY-UHFFFAOYSA-N 1 0 294.351 2.394 10 0 CEAERO COc1cccc(C(=O)Nc2ccc(OCC[NH3+])cc2)c1 ZINC000020224546 171087096 /nfs/dbraw/zinc/08/70/96/171087096.db2.gz PQBINFQPDFYUBI-UHFFFAOYSA-N 1 0 286.331 2.285 10 0 CEAERO [NH3+][C@@H](CN1CCOC1=O)c1cccc(C(F)(F)F)c1 ZINC000020262280 171120135 /nfs/dbraw/zinc/12/01/35/171120135.db2.gz QFFWROQOEDGEFT-JTQLQIEISA-N 1 0 274.242 2.157 10 0 CEAERO O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000020269808 171125698 /nfs/dbraw/zinc/12/56/98/171125698.db2.gz CFMAHPMWHMOJLF-QMMMGPOBSA-N 1 0 256.708 2.417 10 0 CEAERO [NH3+][C@H](CCN1CCOCC1)c1ccc(Cl)cc1 ZINC000020273996 171130830 /nfs/dbraw/zinc/13/08/30/171130830.db2.gz XFOSGQDFVFKUFM-CYBMUJFWSA-N 1 0 254.761 2.062 10 0 CEAERO CCCNC(=O)[C@@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC000020305602 171142241 /nfs/dbraw/zinc/14/22/41/171142241.db2.gz QCUGFYNUTBZWHJ-SNVBAGLBSA-N 1 0 254.761 2.344 10 0 CEAERO C[NH+](C)CCNc1ccccc1I ZINC000020359029 171158442 /nfs/dbraw/zinc/15/84/42/171158442.db2.gz LXVPXLGABKTFDU-UHFFFAOYSA-N 1 0 290.148 2.265 10 0 CEAERO c1ccc(CN2CC[C@H]([NH2+]C[C@@H]3CCCO3)C2)cc1 ZINC000020361836 171160248 /nfs/dbraw/zinc/16/02/48/171160248.db2.gz ZELRJFQILGMINN-HOTGVXAUSA-N 1 0 260.381 2.030 10 0 CEAERO CC(C)CCNC(=O)[C@H](C)NCC[NH+](C(C)C)C(C)C ZINC000020365910 171164684 /nfs/dbraw/zinc/16/46/84/171164684.db2.gz YBBLFMDAKBUARX-HNNXBMFYSA-N 1 0 285.476 2.246 10 0 CEAERO Nc1ccc(N[C@@H]2C[NH+]3CCC2CC3)c(Cl)c1 ZINC000020383816 171174375 /nfs/dbraw/zinc/17/43/75/171174375.db2.gz XOHKNCILQKHWGC-CYBMUJFWSA-N 1 0 251.761 2.428 10 0 CEAERO CN(C)[C@@H](C[NH3+])COc1cccc(C(C)(C)C)c1 ZINC000020400052 171181460 /nfs/dbraw/zinc/18/14/60/171181460.db2.gz ZGOUOCFMSZJABQ-ZDUSSCGKSA-N 1 0 250.386 2.252 10 0 CEAERO CCCNC(=O)[C@H](C)Oc1ccc([C@@H](C)[NH3+])cc1OC ZINC000020419859 171185385 /nfs/dbraw/zinc/18/53/85/171185385.db2.gz RDRQSAKTEDJAQF-MNOVXSKESA-N 1 0 280.368 2.008 10 0 CEAERO CCCCS(=O)(=O)NC1(C[NH3+])CCC(CC)CC1 ZINC000020431712 171196688 /nfs/dbraw/zinc/19/66/88/171196688.db2.gz AGXQVXNECXWJDG-UHFFFAOYSA-N 1 0 276.446 2.004 10 0 CEAERO CCCC[NH+](CCCC)[C@@]1(CN)CN2CCC1CC2 ZINC000020484848 171224134 /nfs/dbraw/zinc/22/41/34/171224134.db2.gz RKJNGJCLCXPLQN-INIZCTEOSA-N 1 0 267.461 2.312 10 0 CEAERO CC(C)[C@@H](C)NS(=O)(=O)c1cccc([C@@H](C)[NH3+])c1 ZINC000020523650 171236113 /nfs/dbraw/zinc/23/61/13/171236113.db2.gz NJLMCPAPWDQISR-GHMZBOCLSA-N 1 0 270.398 2.029 10 0 CEAERO CSc1ccc([C@H](C[NH3+])N2CCO[C@@H](C)C2)cc1 ZINC000020523748 171236557 /nfs/dbraw/zinc/23/65/57/171236557.db2.gz LYGUXTVMRVSWBQ-FZMZJTMJSA-N 1 0 266.410 2.129 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN1C(=S)N=NC1C(C)C ZINC000020590095 171261014 /nfs/dbraw/zinc/26/10/14/171261014.db2.gz AJLSKNKBQJVPIL-SNVBAGLBSA-N 1 0 254.403 2.175 10 0 CEAERO CCC[NH2+]Cc1c(OCC(N)=O)ccc2ccccc21 ZINC000020872791 171277508 /nfs/dbraw/zinc/27/75/08/171277508.db2.gz MBMZCVNJQKOACL-UHFFFAOYSA-N 1 0 272.348 2.204 10 0 CEAERO COCC[NH+]1CCC(CNc2ccc3cn[nH]c3c2)CC1 ZINC000020917208 171280149 /nfs/dbraw/zinc/28/01/49/171280149.db2.gz MPHUILYPKCHTDQ-UHFFFAOYSA-N 1 0 288.395 2.333 10 0 CEAERO CCOc1cc(C[NH2+]C(C)(C)C)ccc1OCCO ZINC000020934504 171281029 /nfs/dbraw/zinc/28/10/29/171281029.db2.gz GBBOQFTUVPTOCT-UHFFFAOYSA-N 1 0 267.369 2.345 10 0 CEAERO CCC[C@@H](C)NS(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000021515400 171311968 /nfs/dbraw/zinc/31/19/68/171311968.db2.gz BRMWWJACKAJTIN-GHMZBOCLSA-N 1 0 270.398 2.173 10 0 CEAERO CCOC(=O)[C@@]1(c2ccccc2)CCC=C[C@H]1[NH2+]C ZINC000022065444 171352164 /nfs/dbraw/zinc/35/21/64/171352164.db2.gz PDJZPNKVLDWEKI-GDBMZVCRSA-N 1 0 259.349 2.426 10 0 in-vitro CEAERO C[C@@H](C(=O)Nc1cccc(N)c1)[NH+]1CCC(C)CC1 ZINC000022153386 171360901 /nfs/dbraw/zinc/36/09/01/171360901.db2.gz FBGBYQVMERQYAH-LBPRGKRZSA-N 1 0 261.369 2.328 10 0 CEAERO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C)CC2)c(N)c1 ZINC000022155974 171362269 /nfs/dbraw/zinc/36/22/69/171362269.db2.gz ZOZBKSPOCLJAMS-GFCCVEGCSA-N 1 0 291.395 2.336 10 0 CEAERO C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1N ZINC000022155823 171362284 /nfs/dbraw/zinc/36/22/84/171362284.db2.gz BIVRWZSOLCOMTR-LBPRGKRZSA-N 1 0 261.369 2.472 10 0 CEAERO CCc1ccc([C@H](C[NH3+])N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000022161530 171364264 /nfs/dbraw/zinc/36/42/64/171364264.db2.gz LUMMBBHADOSUPE-XEZPLFJOSA-N 1 0 262.397 2.358 10 0 CEAERO CC(C)CNC(=O)COc1ccc(CC[C@@H](C)[NH3+])cc1 ZINC000022168857 171367444 /nfs/dbraw/zinc/36/74/44/171367444.db2.gz XOWOHLDASUICDC-CYBMUJFWSA-N 1 0 278.396 2.117 10 0 CEAERO C[C@@H]1CN([C@H](C[NH3+])c2ccccc2Cl)C[C@@H](C)O1 ZINC000022169974 171367546 /nfs/dbraw/zinc/36/75/46/171367546.db2.gz NEXRPJBJQLTLSX-JTNHKYCSSA-N 1 0 268.788 2.449 10 0 CEAERO C[C@@H]1CN([C@@H](C[NH3+])c2ccccc2Cl)C[C@H](C)O1 ZINC000022169971 171367897 /nfs/dbraw/zinc/36/78/97/171367897.db2.gz NEXRPJBJQLTLSX-WDMOLILDSA-N 1 0 268.788 2.449 10 0 CEAERO C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccccc1C[NH3+] ZINC000022171568 171368182 /nfs/dbraw/zinc/36/81/82/171368182.db2.gz ULZMUNYPWKCQTH-WCQYABFASA-N 1 0 282.409 2.002 10 0 CEAERO CC(C)[N@H+](C)CCCC(=O)Nc1cc(N)ccc1F ZINC000022176661 171370957 /nfs/dbraw/zinc/37/09/57/171370957.db2.gz ZMASZHVJUYYZKP-UHFFFAOYSA-N 1 0 267.348 2.467 10 0 CEAERO C[C@@H]1CN([C@@H](C[NH3+])c2ccccc2Cl)CCO1 ZINC000022212777 171374264 /nfs/dbraw/zinc/37/42/64/171374264.db2.gz NJQZAIVCQWSJIE-MFKMUULPSA-N 1 0 254.761 2.061 10 0 CEAERO COc1cc([C@H](C)[NH3+])ccc1OC[C@H]1CCCO1 ZINC000022217727 171376251 /nfs/dbraw/zinc/37/62/51/171376251.db2.gz HJUMHRCBDLOROP-CMPLNLGQSA-N 1 0 251.326 2.273 10 0 CEAERO COc1cccc(OCC(=O)Nc2ccc(C[NH3+])cc2)c1 ZINC000022222354 171378847 /nfs/dbraw/zinc/37/88/47/171378847.db2.gz MDBQRIOOHRTPHC-UHFFFAOYSA-N 1 0 286.331 2.171 10 0 CEAERO CC(=O)Nc1ccccc1Oc1cc(C[NH3+])ccn1 ZINC000022222965 171379237 /nfs/dbraw/zinc/37/92/37/171379237.db2.gz BVIBPZJJRFYVBT-UHFFFAOYSA-N 1 0 257.293 2.291 10 0 CEAERO O=C(CSC1=[NH+]CCN1)Nc1cccc2ccccc21 ZINC000027299020 171512346 /nfs/dbraw/zinc/51/23/46/171512346.db2.gz UVWIFQCHDZKRGF-UHFFFAOYSA-N 1 0 285.372 2.471 10 0 CEAERO CC[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000032113338 171706817 /nfs/dbraw/zinc/70/68/17/171706817.db2.gz AVQDJIFOHRMMRO-QMMMGPOBSA-N 1 0 264.152 2.343 10 0 CEAERO CN(CC(=O)c1c(F)cccc1F)C1CC[NH+](C)CC1 ZINC000035020511 171939004 /nfs/dbraw/zinc/93/90/04/171939004.db2.gz GTQFXJVSSCYUJT-UHFFFAOYSA-N 1 0 282.334 2.174 10 0 CEAERO COc1ccc(C)cc1C[NH2+][C@@H]1CN2CCC1CC2 ZINC000035165284 172027272 /nfs/dbraw/zinc/02/72/72/172027272.db2.gz VSZNXHSFADHVIM-OAHLLOKOSA-N 1 0 260.381 2.187 10 0 CEAERO CC(C)[C@@]1(C)CC(=O)N(c2ccc(C[NH3+])cc2)C1=O ZINC000035281137 172099226 /nfs/dbraw/zinc/09/92/26/172099226.db2.gz LIXVGFIVDLEZRZ-OAHLLOKOSA-N 1 0 260.337 2.071 10 0 CEAERO CCC[NH2+]Cc1c(N2CCCC2)nc2sccn12 ZINC000035429556 172197348 /nfs/dbraw/zinc/19/73/48/172197348.db2.gz RVTARYDZCQDMKB-UHFFFAOYSA-N 1 0 264.398 2.496 10 0 CEAERO C[C@@H]1C[C@H](C)CN(c2nc3sccn3c2C[NH3+])C1 ZINC000035429883 172198170 /nfs/dbraw/zinc/19/81/70/172198170.db2.gz MOFCYBDYLVKAFD-AOOOYVTPSA-N 1 0 264.398 2.337 10 0 CEAERO C[NH2+][C@H](c1cccnc1)c1ccc2c(c1)OCCO2 ZINC000035469690 172220790 /nfs/dbraw/zinc/22/07/90/172220790.db2.gz BYISOLCGVGUUFR-HNNXBMFYSA-N 1 0 256.305 2.162 10 0 CEAERO CC[C@@H](C)NC(=O)COc1ccc(C)cc1[C@@H](C)[NH3+] ZINC000035629420 172310287 /nfs/dbraw/zinc/31/02/87/172310287.db2.gz XWZRRFNZWTYWNR-VXGBXAGGSA-N 1 0 264.369 2.308 10 0 CEAERO CC[NH2+][C@H](C)c1cccc(S(=O)(=O)N(CC)CC)c1 ZINC000035632782 172315544 /nfs/dbraw/zinc/31/55/44/172315544.db2.gz WIDXROTVDQZGGB-GFCCVEGCSA-N 1 0 284.425 2.388 10 0 CEAERO C[C@H]([NH2+]C1CCS(=O)(=O)CC1)c1cccc(F)c1 ZINC000035652360 172329992 /nfs/dbraw/zinc/32/99/92/172329992.db2.gz RHULXKAQFOCSHF-JTQLQIEISA-N 1 0 271.357 2.054 10 0 CEAERO [NH3+][C@H]1CC(=O)N(c2ccccc2-c2ccccc2)C1 ZINC000035679727 172350187 /nfs/dbraw/zinc/35/01/87/172350187.db2.gz UFJGKWJNDBZDKW-ZDUSSCGKSA-N 1 0 252.317 2.418 10 0 CEAERO C[C@H](NC(=O)c1ccccc1F)[C@@H]1CCCC[NH2+]1 ZINC000035690617 172359024 /nfs/dbraw/zinc/35/90/24/172359024.db2.gz MFPJYHCBTWAHNP-GWCFXTLKSA-N 1 0 250.317 2.086 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)c1ccccn1 ZINC000035694933 172364112 /nfs/dbraw/zinc/36/41/12/172364112.db2.gz GYZIRCNYRPORIY-DHMWGJHJSA-N 1 0 273.380 2.180 10 0 CEAERO CCC[NH2+][C@H]1c2cc(F)ccc2S(=O)(=O)C[C@@H]1C ZINC000035761542 172399323 /nfs/dbraw/zinc/39/93/23/172399323.db2.gz RMGUOEITKDEHOK-TVQRCGJNSA-N 1 0 271.357 2.290 10 0 CEAERO C[NH2+][C@@H]1c2cc(Cl)ccc2S(=O)(=O)C[C@H]1C ZINC000035760920 172399645 /nfs/dbraw/zinc/39/96/45/172399645.db2.gz VJZSNXQNUZJVEL-HQJQHLMTSA-N 1 0 259.758 2.024 10 0 CEAERO CC[NH2+][C@H]1c2cccc(Cl)c2S(=O)(=O)C[C@H]1C ZINC000035761267 172399658 /nfs/dbraw/zinc/39/96/58/172399658.db2.gz ULFOTONYNSPVCY-LDYMZIIASA-N 1 0 273.785 2.414 10 0 CEAERO CC(C)(C)C[NH+]1CCN(C(=O)COc2ccccc2)CC1 ZINC000036125497 172446464 /nfs/dbraw/zinc/44/64/64/172446464.db2.gz DZDAKRHNRNXCRO-UHFFFAOYSA-N 1 0 290.407 2.256 10 0 CEAERO CC[C@@H](C)[C@H]([NH3+])C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000037030192 172896751 /nfs/dbraw/zinc/89/67/51/172896751.db2.gz MKRKWKQORLKCDZ-DTZPQEEQSA-N 1 0 264.413 2.301 10 0 CEAERO Cc1cn2c(C[NH2+][C@@H]3CCC[C@H](O)C3)c(C)nc2s1 ZINC000037166154 173000916 /nfs/dbraw/zinc/00/09/16/173000916.db2.gz WSFAAWRERSOHJZ-NEPJUHHUSA-N 1 0 279.409 2.406 10 0 CEAERO CC(C)C[C@H](CN(C)C)[NH2+]Cc1cccc(O)c1 ZINC000037166932 173001575 /nfs/dbraw/zinc/00/15/75/173001575.db2.gz AGJOQXLPIBQKMX-CQSZACIVSA-N 1 0 250.386 2.458 10 0 CEAERO CC[C@@H]1CN([C@@H](C[NH3+])c2ccc(C)c(C)c2)CCO1 ZINC000037180127 173012687 /nfs/dbraw/zinc/01/26/87/173012687.db2.gz JQLOTVIBVYWHSY-CVEARBPZSA-N 1 0 262.397 2.414 10 0 CEAERO CC[C@@H](C)[NH2+][C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000037186493 173017178 /nfs/dbraw/zinc/01/71/78/173017178.db2.gz MRJZGFZYBCDSRD-ZYHUDNBSSA-N 1 0 253.367 2.293 10 0 CEAERO CC[NH2+][C@H](C)c1cccc(OCC(=O)N(C)CC)c1 ZINC000037223123 173043547 /nfs/dbraw/zinc/04/35/47/173043547.db2.gz CQJHBPCPLDNORH-GFCCVEGCSA-N 1 0 264.369 2.214 10 0 CEAERO CC[NH2+][C@@H](CC)c1ccc(OC[C@H](C)C(N)=O)cc1 ZINC000037226969 173047200 /nfs/dbraw/zinc/04/72/00/173047200.db2.gz RXVRQJFBFCMGSA-FZMZJTMJSA-N 1 0 264.369 2.247 10 0 CEAERO COCCC[NH2+][C@@H]1CCOc2ccc(OC)cc21 ZINC000037232473 173051328 /nfs/dbraw/zinc/05/13/28/173051328.db2.gz PRSWTULSAKZKIE-CYBMUJFWSA-N 1 0 251.326 2.145 10 0 CEAERO COCCC[NH2+][C@H]1CCOc2ccc(OC)cc21 ZINC000037232474 173051603 /nfs/dbraw/zinc/05/16/03/173051603.db2.gz PRSWTULSAKZKIE-ZDUSSCGKSA-N 1 0 251.326 2.145 10 0 CEAERO CN(c1ccc(F)cc1C=O)C1CC[NH+](C)CC1 ZINC000037233743 173053417 /nfs/dbraw/zinc/05/34/17/173053417.db2.gz JENPSJLELMMQFQ-UHFFFAOYSA-N 1 0 250.317 2.169 10 0 CEAERO CO[C@H]1CCCC[C@H]1[NH2+]CCCOC[C@@H]1CCCO1 ZINC000037233942 173053546 /nfs/dbraw/zinc/05/35/46/173053546.db2.gz FECLLNNNTSGNAG-ZNMIVQPWSA-N 1 0 271.401 2.119 10 0 CEAERO CCOc1ccc(OCC)c(N2CC[C@H]([NH3+])C2)c1 ZINC000037240941 173057295 /nfs/dbraw/zinc/05/72/95/173057295.db2.gz JOGZHBWOAQSEML-NSHDSACASA-N 1 0 250.342 2.021 10 0 CEAERO O=C(C[NH2+][C@@H](c1ccc(F)cc1)C1CC1)NC1CC1 ZINC000037262975 173072699 /nfs/dbraw/zinc/07/26/99/173072699.db2.gz ABBISNMYGLITMG-OAHLLOKOSA-N 1 0 262.328 2.145 10 0 CEAERO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc(C(N)=O)cc1N ZINC000037272632 173084893 /nfs/dbraw/zinc/08/48/93/173084893.db2.gz QDOPCUXYVVEHPV-GHMZBOCLSA-N 1 0 261.369 2.131 10 0 CEAERO Clc1cc(C[NH2+]CCCn2ccnc2)cc2c1OCO2 ZINC000037300907 173106529 /nfs/dbraw/zinc/10/65/29/173106529.db2.gz ZKRHAIZXTOHKBY-UHFFFAOYSA-N 1 0 293.754 2.445 10 0 CEAERO Clc1cc(C[NH2+][C@H]2CN3CCC2CC3)cc2c1OCO2 ZINC000037302475 173108116 /nfs/dbraw/zinc/10/81/16/173108116.db2.gz JKKYMVRSKLCHFL-ZDUSSCGKSA-N 1 0 294.782 2.253 10 0 CEAERO Cc1cccc(C(=O)CN2CCC([NH+](C)C)CC2)c1 ZINC000037339779 173141270 /nfs/dbraw/zinc/14/12/70/173141270.db2.gz PAKANVQJKMCGBK-UHFFFAOYSA-N 1 0 260.381 2.204 10 0 CEAERO CCC[NH2+]C[C@@H](O)COc1ccc(OCCC)cc1 ZINC000037372637 173162054 /nfs/dbraw/zinc/16/20/54/173162054.db2.gz GAUROAPMFPFWAN-CYBMUJFWSA-N 1 0 267.369 2.215 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)Nc1cc(OC)ccc1OC ZINC000037386318 173169121 /nfs/dbraw/zinc/16/91/21/173169121.db2.gz BXQXDSOIWNSEMG-JTQLQIEISA-N 1 0 266.341 2.030 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)Nc1ccc(OC)c(OC)c1 ZINC000037386421 173169483 /nfs/dbraw/zinc/16/94/83/173169483.db2.gz LPDRKHITFAIBTA-SNVBAGLBSA-N 1 0 266.341 2.030 10 0 CEAERO CC[NH+](CC)CCC[C@@H](C)NCC(=O)OC(C)(C)C ZINC000037394131 173174583 /nfs/dbraw/zinc/17/45/83/173174583.db2.gz KSWBZNVFWZSQJY-CYBMUJFWSA-N 1 0 272.433 2.428 10 0 CEAERO CC(C)[NH2+]CC(=O)N[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000037396010 173177095 /nfs/dbraw/zinc/17/70/95/173177095.db2.gz YJERMZBRVBZUQF-UWVGGRQHSA-N 1 0 266.307 2.222 10 0 CEAERO CSCC[C@H]([NH3+])c1nc2cc(F)ccc2n1C ZINC000037439283 173209205 /nfs/dbraw/zinc/20/92/05/173209205.db2.gz LFRGREJYBADMSA-VIFPVBQESA-N 1 0 253.346 2.465 10 0 CEAERO [NH3+][C@@H](CO)c1nc2cccc(Cl)c2n1C1CC1 ZINC000037444430 173211827 /nfs/dbraw/zinc/21/18/27/173211827.db2.gz XHGUXCUAIJJCMD-VIFPVBQESA-N 1 0 251.717 2.017 10 0 CEAERO C[N@@H+]1CC[C@H](CNCc2ccccc2Br)C1 ZINC000037484744 173229610 /nfs/dbraw/zinc/22/96/10/173229610.db2.gz WCYRFKAWLQGHAW-LLVKDONJSA-N 1 0 283.213 2.490 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)N(C)Cc1ccc(OC)c(F)c1 ZINC000037495112 173235063 /nfs/dbraw/zinc/23/50/63/173235063.db2.gz GMXWDDBHTZSHDL-LLVKDONJSA-N 1 0 282.359 2.181 10 0 CEAERO COCCN(Cc1ccccc1)C(=O)C[NH2+]C1CCCC1 ZINC000037495923 173236044 /nfs/dbraw/zinc/23/60/44/173236044.db2.gz SIRHIXNMZAWESS-UHFFFAOYSA-N 1 0 290.407 2.194 10 0 CEAERO C[NH2+]C1CCN(C(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000037536442 173254872 /nfs/dbraw/zinc/25/48/72/173254872.db2.gz YCHNYNYVYIGPLQ-XQQFMLRXSA-N 1 0 250.386 2.023 10 0 CEAERO CC[NH2+][C@H](C)c1cccc(OCC(=O)OCC)c1 ZINC000037708227 173628329 /nfs/dbraw/zinc/62/83/29/173628329.db2.gz QIPDHEIHKZXNIO-LLVKDONJSA-N 1 0 251.326 2.299 10 0 CEAERO COCCCOc1cc(C[C@@H](C)[NH3+])ccc1OC ZINC000037754339 173678161 /nfs/dbraw/zinc/67/81/61/173678161.db2.gz OZKMKEYGGRGVMO-LLVKDONJSA-N 1 0 253.342 2.000 10 0 CEAERO COCCCOc1cc(C[C@H](C)[NH3+])ccc1OC ZINC000037754338 173678259 /nfs/dbraw/zinc/67/82/59/173678259.db2.gz OZKMKEYGGRGVMO-NSHDSACASA-N 1 0 253.342 2.000 10 0 CEAERO C[C@H]([NH3+])CC(=O)N1CCc2sccc2[C@H]1C1CC1 ZINC000037803209 173742061 /nfs/dbraw/zinc/74/20/61/173742061.db2.gz DANWEHJFTVJQDC-LKFCYVNXSA-N 1 0 264.394 2.321 10 0 CEAERO CCCCOCCOC[C@@H](O)C[NH2+]CCCC(C)C ZINC000037984761 173945900 /nfs/dbraw/zinc/94/59/00/173945900.db2.gz YSTXBSVTCZRZGW-HNNXBMFYSA-N 1 0 275.433 2.206 10 0 CEAERO CCC(C)(C)NC(=O)[C@@H](C)N(CC[NH3+])Cc1ccccc1 ZINC000038033208 174030562 /nfs/dbraw/zinc/03/05/62/174030562.db2.gz OHKKFVQTFWXMIJ-CQSZACIVSA-N 1 0 291.439 2.141 10 0 CEAERO Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C[C@H]2CCCOC2)c1 ZINC000038045319 174053315 /nfs/dbraw/zinc/05/33/15/174053315.db2.gz NHCNECIZBBXTPB-CVEARBPZSA-N 1 0 293.407 2.059 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)c1cc(Cl)ccc1F ZINC000038049426 174060478 /nfs/dbraw/zinc/06/04/78/174060478.db2.gz YNSJJSMCKQGJDM-NWDGAFQWSA-N 1 0 270.735 2.479 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)N(C)C)CCO2 ZINC000038087429 174099347 /nfs/dbraw/zinc/09/93/47/174099347.db2.gz FZHITJRFCFOYQA-SMDDNHRTSA-N 1 0 264.369 2.059 10 0 CEAERO CCCS(=O)(=O)c1ccccc1NC[C@H](C)[NH+](C)C ZINC000038089089 174102591 /nfs/dbraw/zinc/10/25/91/174102591.db2.gz WDXPOPCYGJODGA-LBPRGKRZSA-N 1 0 284.425 2.232 10 0 CEAERO CC(C)[C@@H]([NH3+])C(=O)N1CCc2sccc2[C@H]1C ZINC000038100845 174116185 /nfs/dbraw/zinc/11/61/85/174116185.db2.gz HOKIYNZJIWOBAY-BXKDBHETSA-N 1 0 252.383 2.177 10 0 CEAERO CC[NH+](CC)CCOC(=O)c1ccccc1OC(C)=O ZINC000038420721 174141412 /nfs/dbraw/zinc/14/14/12/174141412.db2.gz GHIVDTCFLFLOBV-UHFFFAOYSA-N 1 0 279.336 2.111 10 0 CEAERO CC(C)[NH2+]C[C@@H](O)COc1ccc(N)c2ccccc12 ZINC000039234989 174166971 /nfs/dbraw/zinc/16/69/71/174166971.db2.gz WQCNPLOKKQZXOS-GFCCVEGCSA-N 1 0 274.364 2.160 10 0 CEAERO CCOC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000039258158 174167523 /nfs/dbraw/zinc/16/75/23/174167523.db2.gz UAOGRQNBTQAYKH-UHFFFAOYSA-N 1 0 262.353 2.397 10 0 CEAERO COC(=O)c1cccc(CN2CC[NH2+]C[C@H]2CC(C)C)c1 ZINC000039952606 174177709 /nfs/dbraw/zinc/17/77/09/174177709.db2.gz XVXPUPAOSJBQNT-MRXNPFEDSA-N 1 0 290.407 2.293 10 0 CEAERO C[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)c1ccccc1F ZINC000040464180 174273166 /nfs/dbraw/zinc/27/31/66/174273166.db2.gz KCRBZPZSVWVYPY-BXKDBHETSA-N 1 0 252.333 2.376 10 0 CEAERO CC(C)(C)C[NH2+]C[C@H](O)c1ccc2c(c1)OCO2 ZINC000040493400 174292922 /nfs/dbraw/zinc/29/29/22/174292922.db2.gz ZYLYHOFVFOXMRH-NSHDSACASA-N 1 0 251.326 2.084 10 0 CEAERO CCCO[C@H]1CCCN(C(=O)C2([NH3+])CCCCC2)C1 ZINC000040501409 174297545 /nfs/dbraw/zinc/29/75/45/174297545.db2.gz CSBZWGAEHHUFHO-ZDUSSCGKSA-N 1 0 268.401 2.066 10 0 CEAERO CCN1CCC[C@@H]([NH2+]Cc2cnn(-c3ccccc3)c2)C1 ZINC000040502118 174298139 /nfs/dbraw/zinc/29/81/39/174298139.db2.gz JIOACAMOJBOGLE-MRXNPFEDSA-N 1 0 284.407 2.446 10 0 CEAERO CCN1CCC[C@H]([NH2+]Cc2cn(C)nc2C(C)C)C1 ZINC000040502971 174299215 /nfs/dbraw/zinc/29/92/15/174299215.db2.gz OPPCJQSTJQTCKR-AWEZNQCLSA-N 1 0 264.417 2.117 10 0 CEAERO CCCCOCC[NH2+][C@@H](C)C(=O)NC(C)(C)CC ZINC000040507356 174302645 /nfs/dbraw/zinc/30/26/45/174302645.db2.gz RNZTWDJVIWNGDV-LBPRGKRZSA-N 1 0 258.406 2.086 10 0 CEAERO CCCCOCC[NH2+][C@H](C)C(=O)NC(C)(C)CC ZINC000040507357 174302742 /nfs/dbraw/zinc/30/27/42/174302742.db2.gz RNZTWDJVIWNGDV-GFCCVEGCSA-N 1 0 258.406 2.086 10 0 CEAERO Cc1cc(C)c(C[NH3+])c(N(C)CCc2ccccn2)n1 ZINC000040509357 174303625 /nfs/dbraw/zinc/30/36/25/174303625.db2.gz NMUKAPCNTLMBLQ-UHFFFAOYSA-N 1 0 270.380 2.231 10 0 CEAERO COC(=O)C[C@@H](C)[NH2+][C@@H](C)c1sc(C)nc1C ZINC000040518627 174307892 /nfs/dbraw/zinc/30/78/92/174307892.db2.gz CERCSJIZHNOHSX-SFYZADRCSA-N 1 0 256.371 2.362 10 0 CEAERO C[NH2+]C[C@@H]1CCCN(C(=O)c2c[nH]c3ccccc23)C1 ZINC000040595767 174348391 /nfs/dbraw/zinc/34/83/91/174348391.db2.gz QNUNKQSZRIAKDY-LBPRGKRZSA-N 1 0 271.364 2.240 10 0 CEAERO C[NH2+]C[C@@H]1CCCN(Cc2nnc(-c3ccccc3)o2)C1 ZINC000040600028 174350221 /nfs/dbraw/zinc/35/02/21/174350221.db2.gz XCWGPQNSFBOTAU-ZDUSSCGKSA-N 1 0 286.379 2.168 10 0 CEAERO CC[NH+](CC)[C@H](CNC(C)=O)c1ccc(OC)cc1 ZINC000040614842 174353687 /nfs/dbraw/zinc/35/36/87/174353687.db2.gz SUCSNYPSCDSIBV-OAHLLOKOSA-N 1 0 264.369 2.214 10 0 CEAERO CO[C@H]1C[NH2+][C@H](C(=O)Nc2ccccc2C(C)C)C1 ZINC000040630078 174357992 /nfs/dbraw/zinc/35/79/92/174357992.db2.gz CDEKXQUWXJALSG-RISCZKNCSA-N 1 0 262.353 2.125 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000040631111 174358141 /nfs/dbraw/zinc/35/81/41/174358141.db2.gz PSMLCLYWKVFNLX-GMSGAONNSA-N 1 0 289.162 2.309 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](C(=O)N(C)Cc2ccc(C(C)C)cc2)C1 ZINC000040635096 174360776 /nfs/dbraw/zinc/36/07/76/174360776.db2.gz AMNGRWXICFJVKI-HZPDHXFCSA-N 1 0 290.407 2.145 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](c2nc(-c3ccc(F)c(F)c3)c[nH]2)C1 ZINC000040637847 174362113 /nfs/dbraw/zinc/36/21/13/174362113.db2.gz CFBGBNZTGJBCMY-BXKDBHETSA-N 1 0 279.290 2.404 10 0 CEAERO Cn1ccnc1CC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000040639073 174363319 /nfs/dbraw/zinc/36/33/19/174363319.db2.gz ASBLZGSIZIZWKV-UHFFFAOYSA-N 1 0 259.397 2.377 10 0 CEAERO CCOC(=O)N[C@@H](C[NH3+])c1cccc(OC(C)C)c1 ZINC000040641005 174364159 /nfs/dbraw/zinc/36/41/59/174364159.db2.gz SLTPYCODGCXFLA-ZDUSSCGKSA-N 1 0 266.341 2.220 10 0 CEAERO C[C@@H]1CCC[C@@](CNCC(=O)N2CCCCC2)([NH+](C)C)C1 ZINC000040669791 174368418 /nfs/dbraw/zinc/36/84/18/174368418.db2.gz JLUXIERYASYVBN-NVXWUHKLSA-N 1 0 295.471 2.099 10 0 CEAERO C[C@H]([NH2+]C(C)(C)C(N)=O)c1ccc(F)c(Cl)c1 ZINC000040674315 174372562 /nfs/dbraw/zinc/37/25/62/174372562.db2.gz OZGGXJNVZUSKKW-ZETCQYMHSA-N 1 0 258.724 2.394 10 0 CEAERO CCOC1CC[NH+]([C@@H](CN)C2CCCCC2)CC1 ZINC000040678707 174374713 /nfs/dbraw/zinc/37/47/13/174374713.db2.gz PEZFUXOGCMUTJS-HNNXBMFYSA-N 1 0 254.418 2.395 10 0 CEAERO Nc1c(NCc2ccco2)ncnc1Nc1cc[nH+]cc1 ZINC000040687577 174375934 /nfs/dbraw/zinc/37/59/34/174375934.db2.gz TWWMCJREIRXJSB-UHFFFAOYSA-N 1 0 282.307 2.403 10 0 CEAERO CCOC1CCN([C@@H](C[NH3+])c2cccc(C)c2)CC1 ZINC000040689105 174376063 /nfs/dbraw/zinc/37/60/63/174376063.db2.gz YVUMJJJJYHWPMZ-INIZCTEOSA-N 1 0 262.397 2.496 10 0 CEAERO O=C1CCCC[C@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000040694261 174377823 /nfs/dbraw/zinc/37/78/23/174377823.db2.gz NAKDXWVLGQMTNA-OAHLLOKOSA-N 1 0 264.413 2.448 10 0 CEAERO O=C1CCCC[C@@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000040694263 174377893 /nfs/dbraw/zinc/37/78/93/174377893.db2.gz NAKDXWVLGQMTNA-HNNXBMFYSA-N 1 0 264.413 2.448 10 0 CEAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N2CC[C@H](C)C2)cc1 ZINC000040725546 174387066 /nfs/dbraw/zinc/38/70/66/174387066.db2.gz HPACPJRWHZTAHR-ZDUSSCGKSA-N 1 0 296.436 2.215 10 0 CEAERO c1cc2ncnc(NC3C[C@H]4CC[C@@H](C3)[NH2+]4)c2s1 ZINC000040746435 174391582 /nfs/dbraw/zinc/39/15/82/174391582.db2.gz WIBKEGLBCSORQJ-ULKQDVFKSA-N 1 0 260.366 2.386 10 0 CEAERO CCS(=O)(=O)c1ccccc1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746419 174391618 /nfs/dbraw/zinc/39/16/18/174391618.db2.gz MLCMMFYVUMIMAL-FUNVUKJBSA-N 1 0 294.420 2.175 10 0 CEAERO COc1ccc(Cl)cc1C(=O)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749668 174394540 /nfs/dbraw/zinc/39/45/40/174394540.db2.gz RLUAJMWJMLJQCS-YOGCLGLASA-N 1 0 294.782 2.443 10 0 CEAERO CO[C@@H]1CCCC[C@H]1[NH2+]CCN1CCCCCC1 ZINC000040767924 174398286 /nfs/dbraw/zinc/39/82/86/174398286.db2.gz GVEKRLKTUDZPCR-HUUCEWRRSA-N 1 0 254.418 2.410 10 0 CEAERO CC(C)[NH2+]CCC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000040804585 174409474 /nfs/dbraw/zinc/40/94/74/174409474.db2.gz QFHFAFKSFJJDSR-NSHDSACASA-N 1 0 252.333 2.391 10 0 CEAERO COc1ccc(C[C@H](C)[NH3+])c(OC[C@@H]2CCCO2)c1 ZINC000040904881 174430692 /nfs/dbraw/zinc/43/06/92/174430692.db2.gz DXKFWIZFMZNHHW-FZMZJTMJSA-N 1 0 265.353 2.143 10 0 CEAERO CCC[NH2+]Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C ZINC000040932372 174436228 /nfs/dbraw/zinc/43/62/28/174436228.db2.gz YOVUNNLOHNGUFO-UHFFFAOYSA-N 1 0 273.384 2.396 10 0 CEAERO [NH3+][C@H]1CCCN(CCSc2ccccc2F)C1 ZINC000041028941 174454031 /nfs/dbraw/zinc/45/40/31/174454031.db2.gz WBKGDLRTJCPOAK-NSHDSACASA-N 1 0 254.374 2.341 10 0 CEAERO CC(C)([NH3+])c1cn(Cc2cc(F)cc3cccnc32)nn1 ZINC000070118811 414764853 /nfs/dbraw/zinc/76/48/53/414764853.db2.gz FEONYGVDODGGLG-UHFFFAOYSA-N 1 0 285.326 2.208 10 0 CEAERO CC[C@@H]1C[N@H+](C[C@H](O)COCc2ccccc2)[C@H](C)CO1 ZINC000403847869 414769960 /nfs/dbraw/zinc/76/99/60/414769960.db2.gz RXOIKLHCIBPNBA-HYVNUMGLSA-N 1 0 293.407 2.063 10 0 CEAERO [NH3+]CCCN(C[C@H]1CCOC1)c1ccccc1F ZINC000041079362 174473103 /nfs/dbraw/zinc/47/31/03/174473103.db2.gz HSJQKNHSMLRQBH-GFCCVEGCSA-N 1 0 252.333 2.017 10 0 CEAERO C[C@H](NC(=O)CC[C@H]([NH3+])c1ccccc1)[C@H]1CCCO1 ZINC000071400443 414774287 /nfs/dbraw/zinc/77/42/87/414774287.db2.gz XIWZEWRSASWBFA-AEGPPILISA-N 1 0 276.380 2.150 10 0 CEAERO COCCC1(C(=O)N2CC[C@@H](C)C[C@H]2C)CC[NH2+]CC1 ZINC000662851256 414775230 /nfs/dbraw/zinc/77/52/30/414775230.db2.gz XGPFSLYVDBPOFS-ZIAGYGMSSA-N 1 0 282.428 2.040 10 0 CEAERO CCN(Cc1ccc(C)cc1)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000662862886 414778464 /nfs/dbraw/zinc/77/84/64/414778464.db2.gz VHUCTIMKVJNLPL-UKRRQHHQSA-N 1 0 260.381 2.199 10 0 CEAERO Cc1cc(C(C)C)nc(N2CCC[C@H](C)[C@@H]2C[NH3+])n1 ZINC000122572987 414789833 /nfs/dbraw/zinc/78/98/33/414789833.db2.gz CKWUZULQRNTOGI-FZMZJTMJSA-N 1 0 262.401 2.472 10 0 CEAERO CC[C@H]1CN(c2ncnc3sccc32)CC[C@@H]1[NH3+] ZINC000123029816 414791783 /nfs/dbraw/zinc/79/17/83/414791783.db2.gz SFVXKJLHXAJYOY-ONGXEEELSA-N 1 0 262.382 2.255 10 0 CEAERO CCO[C@@H]1CN(c2ncc(Cl)cc2Cl)C[C@H]1C[NH3+] ZINC000405318670 414794484 /nfs/dbraw/zinc/79/44/84/414794484.db2.gz XVIDLJXYFMIQOL-LDYMZIIASA-N 1 0 290.194 2.188 10 0 CEAERO CSc1ccc(C(=O)N(C)[C@H](C[NH3+])C(F)(F)F)cc1 ZINC000662978404 414816972 /nfs/dbraw/zinc/81/69/72/414816972.db2.gz PBRJWBIEPAIANZ-SNVBAGLBSA-N 1 0 292.326 2.370 10 0 CEAERO O=C(CCCc1c[nH]c2ccccc12)NC[C@H]1CC[NH2+]C1 ZINC000131855958 414818951 /nfs/dbraw/zinc/81/89/51/414818951.db2.gz IYLVAUYXJUAIDV-ZDUSSCGKSA-N 1 0 285.391 2.216 10 0 CEAERO CCCC[C@H](C)C(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662984988 414819054 /nfs/dbraw/zinc/81/90/54/414819054.db2.gz QCIUMRLMDUHTTN-DTWKUNHWSA-N 1 0 254.296 2.161 10 0 CEAERO CN(C(=O)CC1=CCCCC1)[C@@H](C[NH3+])C(F)(F)F ZINC000662986687 414819323 /nfs/dbraw/zinc/81/93/23/414819323.db2.gz IDOURHQLGAJEGQ-JTQLQIEISA-N 1 0 264.291 2.225 10 0 CEAERO CN(C(=O)CCC(C)(C)C)[C@H](C[NH3+])C(F)(F)F ZINC000662982444 414819498 /nfs/dbraw/zinc/81/94/98/414819498.db2.gz ICKABBIORYGZHB-MRVPVSSYSA-N 1 0 254.296 2.161 10 0 CEAERO Cc1nc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@H]2O)co1 ZINC000660464477 414835002 /nfs/dbraw/zinc/83/50/02/414835002.db2.gz LLTKINIFUFEALW-RBSFLKMASA-N 1 0 264.369 2.499 10 0 CEAERO O[C@@H]1CCCC[C@@H]1[C@H]1CCC[N@@H+]1CCO[C@@H]1CC1(F)F ZINC000660465664 414836154 /nfs/dbraw/zinc/83/61/54/414836154.db2.gz RTCOKTJRIMLJLE-AAVRWANBSA-N 1 0 289.366 2.426 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC1(COC)CCC1 ZINC000311751948 414860727 /nfs/dbraw/zinc/86/07/27/414860727.db2.gz CSYFMRLPCWMBAD-GJZGRUSLSA-N 1 0 266.429 2.362 10 0 CEAERO CC[N@@H+]1CCC[C@H](NCc2nccn2C(C)C)C1 ZINC000657326032 414861692 /nfs/dbraw/zinc/86/16/92/414861692.db2.gz RMXCZUCHERDAAS-ZDUSSCGKSA-N 1 0 250.390 2.038 10 0 CEAERO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1snnc1C ZINC000311832385 414861786 /nfs/dbraw/zinc/86/17/86/414861786.db2.gz PHTQLZYIKRHENV-QWHCGFSZSA-N 1 0 280.441 2.295 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]1)Nc1ccccc1Cn1cccn1 ZINC000042166879 174648947 /nfs/dbraw/zinc/64/89/47/174648947.db2.gz LEIPFRVHXSIJJF-AWEZNQCLSA-N 1 0 284.363 2.012 10 0 CEAERO COc1ccc(-c2c[nH]c(C[C@H]3CCC[NH2+]3)n2)cc1 ZINC000042172835 174651773 /nfs/dbraw/zinc/65/17/73/174651773.db2.gz DRZYNBDADRSULJ-GFCCVEGCSA-N 1 0 257.337 2.380 10 0 CEAERO c1[nH]c(C[C@H]2CCC[NH2+]2)nc1-c1ccc2c(c1)OCO2 ZINC000042172794 174652136 /nfs/dbraw/zinc/65/21/36/174652136.db2.gz NOMIFYOCMPGPAP-LLVKDONJSA-N 1 0 271.320 2.100 10 0 CEAERO Cc1[nH]c2ccccc2c1C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000653135721 414920196 /nfs/dbraw/zinc/92/01/96/414920196.db2.gz NMOPGEOYGHWFNE-MFKMUULPSA-N 1 0 271.364 2.347 10 0 CEAERO O=C(NCC1CCCCC1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653056649 414889831 /nfs/dbraw/zinc/88/98/31/414889831.db2.gz SFKUIHSCPVENOJ-GHMZBOCLSA-N 1 0 278.318 2.081 10 0 CEAERO CCC1CCC(NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CC1 ZINC000653067644 414895071 /nfs/dbraw/zinc/89/50/71/414895071.db2.gz HCKZAENUXCJCOY-KIDURHIOSA-N 1 0 292.345 2.469 10 0 CEAERO CN1C[C@@H](C[NH2+]Cc2ccc3ccccc3c2)CC1=O ZINC000657694352 415050877 /nfs/dbraw/zinc/05/08/77/415050877.db2.gz KUJAVBABLLPVFN-CQSZACIVSA-N 1 0 268.360 2.408 10 0 CEAERO CC1=C[C@H](C)C[C@@H](C[NH2+]C[C@H]2CC(=O)N(C)C2)C1 ZINC000657695451 415051410 /nfs/dbraw/zinc/05/14/10/415051410.db2.gz LZRSAPCIBPFKBF-IACUBPJLSA-N 1 0 250.386 2.047 10 0 CEAERO CN1C[C@H](C[NH2+]Cc2cccc(C3CC3)c2)CC1=O ZINC000657697652 415053508 /nfs/dbraw/zinc/05/35/08/415053508.db2.gz UTCDAOIUVZVOJO-ZDUSSCGKSA-N 1 0 258.365 2.132 10 0 CEAERO CC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC(=O)N(C)C2)CC1 ZINC000657697222 415053703 /nfs/dbraw/zinc/05/37/03/415053703.db2.gz RCYVKTCVHROSAQ-MCIONIFRSA-N 1 0 252.402 2.413 10 0 CEAERO CC(C)Cc1ccc(C[NH2+]C[C@@H]2CC(=O)N(C)C2)cc1 ZINC000657697242 415053937 /nfs/dbraw/zinc/05/39/37/415053937.db2.gz OBRONLTWVYWVCK-INIZCTEOSA-N 1 0 274.408 2.453 10 0 CEAERO C[C@H](N(C)S(=O)(=O)CC[C@@H]1CCCC[NH2+]1)C(C)(C)C ZINC000042781278 174877038 /nfs/dbraw/zinc/87/70/38/174877038.db2.gz DXKXVVLFYIAHGV-STQMWFEESA-N 1 0 290.473 2.215 10 0 CEAERO COc1ccc(C[NH2+]C2CC(CO)C2)cc1Cl ZINC000657812323 415089738 /nfs/dbraw/zinc/08/97/38/415089738.db2.gz HXFLPYYLBMMNFV-UHFFFAOYSA-N 1 0 255.745 2.209 10 0 CEAERO Cc1ccc2cc(C[NH2+]C3CC(CO)C3)ccc2n1 ZINC000657810978 415089994 /nfs/dbraw/zinc/08/99/94/415089994.db2.gz PJXHRRJORKEYNX-UHFFFAOYSA-N 1 0 256.349 2.404 10 0 CEAERO C[C@@H]1CCCC[C@@H]1C[NH2+]CC(=O)N1CCCCC1 ZINC000042863174 174893834 /nfs/dbraw/zinc/89/38/34/174893834.db2.gz VJKWTQSEVRADST-ZIAGYGMSSA-N 1 0 252.402 2.415 10 0 CEAERO COc1ccc([C@H](C[NH3+])OCCOC(C)C)cc1 ZINC000042963132 174927934 /nfs/dbraw/zinc/92/79/34/174927934.db2.gz UDDWCWDJLKOUDS-AWEZNQCLSA-N 1 0 253.342 2.137 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000042974900 174938413 /nfs/dbraw/zinc/93/84/13/174938413.db2.gz VJQCGEHPAZNVQC-KGLIPLIRSA-N 1 0 268.788 2.451 10 0 CEAERO CC[C@@H]1COCCN1[C@@H](c1ccccc1C)[C@@H](C)[NH3+] ZINC000043035663 174950585 /nfs/dbraw/zinc/95/05/85/174950585.db2.gz NUPXZEGZCDYDBJ-IIAWOOMASA-N 1 0 262.397 2.494 10 0 CEAERO CC[C@@H]1CN([C@@H](c2ccccc2OC)[C@@H](C)[NH3+])CCO1 ZINC000043097418 174965468 /nfs/dbraw/zinc/96/54/68/174965468.db2.gz GFSJLGFMPVRRPR-XJKCOSOUSA-N 1 0 278.396 2.194 10 0 CEAERO CCOC(=O)CS[C@@H](c1ccccc1OC)[C@H](C)[NH3+] ZINC000043101739 174967841 /nfs/dbraw/zinc/96/78/41/174967841.db2.gz ZDWGWNSTEHPGPN-IINYFYTJSA-N 1 0 283.393 2.380 10 0 CEAERO CC[C@H]([NH3+])[C@H](SCC(=O)OC)c1ccccc1OC ZINC000043101717 174968259 /nfs/dbraw/zinc/96/82/59/174968259.db2.gz OGHVLCXPGCYRBT-SMDDNHRTSA-N 1 0 283.393 2.380 10 0 CEAERO C[C@H]([NH3+])[C@H](c1ccsc1)n1nnc(-c2ccccc2)n1 ZINC000043124178 174977313 /nfs/dbraw/zinc/97/73/13/174977313.db2.gz XUFVFJWUGCNCLN-GXFFZTMASA-N 1 0 285.376 2.338 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cnn(C)c1)N(C)Cc1ccccc1 ZINC000043126691 174977872 /nfs/dbraw/zinc/97/78/72/174977872.db2.gz MGOYQGFATYGMCF-CVEARBPZSA-N 1 0 272.396 2.331 10 0 CEAERO CC[C@@H]([NH3+])[C@H](O)c1cc(Br)cs1 ZINC000043289792 174997485 /nfs/dbraw/zinc/99/74/85/174997485.db2.gz ZCRYKROQGCXKSK-SVRRBLITSA-N 1 0 250.161 2.281 10 0 CEAERO CC[NH2+][C@@H](c1ccc(F)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000043300809 175001432 /nfs/dbraw/zinc/00/14/32/175001432.db2.gz BAADVFPLMYDXKI-NOZJJQNGSA-N 1 0 289.347 2.050 10 0 CEAERO CC[NH2+][C@H](c1cc(F)ccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000043300842 175001732 /nfs/dbraw/zinc/00/17/32/175001732.db2.gz NZNDIZALWDLGQX-RNCFNFMXSA-N 1 0 289.347 2.050 10 0 CEAERO CC[NH2+][C@@H](c1c(F)cccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000043300769 175001754 /nfs/dbraw/zinc/00/17/54/175001754.db2.gz SQFOJUVEZJALAJ-NOZJJQNGSA-N 1 0 289.347 2.050 10 0 CEAERO CC[NH2+][C@H](c1ccc(OCC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300786 175001768 /nfs/dbraw/zinc/00/17/68/175001768.db2.gz DRIHAVOIFZVQPZ-UKRRQHHQSA-N 1 0 297.420 2.171 10 0 CEAERO CC[NH2+][C@@H]([C@@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043301134 175002041 /nfs/dbraw/zinc/00/20/41/175002041.db2.gz CHXZREZGYNSLDB-CFVMTHIKSA-N 1 0 281.421 2.203 10 0 CEAERO FC(F)(F)COc1ccc(N[C@@H]2CCC[NH2+]C2)cn1 ZINC000043325843 175007420 /nfs/dbraw/zinc/00/74/20/175007420.db2.gz CJCHQVGRTLKEIH-SECBINFHSA-N 1 0 275.274 2.187 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccco1)N(CCOC)C1CC1 ZINC000043335872 175011332 /nfs/dbraw/zinc/01/13/32/175011332.db2.gz JCCZPOOGWGARDY-TZMCWYRMSA-N 1 0 252.358 2.169 10 0 CEAERO CC[C@H](C)N(CCOC)[C@@H](c1ccco1)[C@@H](C)[NH3+] ZINC000043336186 175011982 /nfs/dbraw/zinc/01/19/82/175011982.db2.gz RFTMUPUPQUGNMX-OUCADQQQSA-N 1 0 254.374 2.415 10 0 CEAERO C[C@H]([NH3+])[C@H](c1ccco1)n1ccc(C(F)(F)F)n1 ZINC000043336525 175012590 /nfs/dbraw/zinc/01/25/90/175012590.db2.gz ZSZXFKDSQZIOGP-OIBJUYFYSA-N 1 0 259.231 2.432 10 0 CEAERO CCOC1CCN([C@H](c2ccccn2)[C@@H]([NH3+])CC)CC1 ZINC000043339691 175013790 /nfs/dbraw/zinc/01/37/90/175013790.db2.gz FOLUUDUGQFUADP-HOCLYGCPSA-N 1 0 277.412 2.361 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccccn1)n1ccc(C(F)(F)F)n1 ZINC000043341586 175014927 /nfs/dbraw/zinc/01/49/27/175014927.db2.gz SRTPFUDKNFEQIZ-LDYMZIIASA-N 1 0 270.258 2.234 10 0 CEAERO COCCN([C@H](C)C1CC1)[C@@H](c1ccccn1)[C@@H](C)[NH3+] ZINC000043341029 175015198 /nfs/dbraw/zinc/01/51/98/175015198.db2.gz XIYGLCUHYVCCHM-XJKCOSOUSA-N 1 0 277.412 2.217 10 0 CEAERO CC[C@@H]([NH3+])[C@H](SCCC(=O)OC)c1ccccn1 ZINC000043345057 175016203 /nfs/dbraw/zinc/01/62/03/175016203.db2.gz CFBLOLSROFXGEC-MFKMUULPSA-N 1 0 268.382 2.156 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cccnc1)N(C)Cc1ccncc1 ZINC000043346487 175017560 /nfs/dbraw/zinc/01/75/60/175017560.db2.gz JPOONLDQOLQHRM-CVEARBPZSA-N 1 0 270.380 2.387 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1cccnc1)n1cc(Br)cn1 ZINC000043348924 175019221 /nfs/dbraw/zinc/01/92/21/175019221.db2.gz ZZVOMHDXRCXQOU-NWDGAFQWSA-N 1 0 295.184 2.367 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1nc(C)cc(=O)[nH]1)c1cccnc1 ZINC000043352029 175019656 /nfs/dbraw/zinc/01/96/56/175019656.db2.gz OQVYAOIJEXUFRD-WCQYABFASA-N 1 0 290.392 2.456 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Oc1ccc(CO)cc1)c1cccnc1 ZINC000043351436 175019714 /nfs/dbraw/zinc/01/97/14/175019714.db2.gz TWHVWIOJEVVUEL-HOTGVXAUSA-N 1 0 272.348 2.431 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Oc1ccccc1C(N)=O)c1cccnc1 ZINC000043350398 175019929 /nfs/dbraw/zinc/01/99/29/175019929.db2.gz HKBOXFUUWAWCLK-UKRRQHHQSA-N 1 0 285.347 2.038 10 0 CEAERO CN(Cc1cccc(F)c1)[C@@H](C[NH3+])c1ccncc1 ZINC000043353199 175020053 /nfs/dbraw/zinc/02/00/53/175020053.db2.gz ZRBRDZBBFICUKP-HNNXBMFYSA-N 1 0 259.328 2.353 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccncc1)N(C)CCc1ccncc1 ZINC000043353857 175020712 /nfs/dbraw/zinc/02/07/12/175020712.db2.gz JUMIUHHLGQIDCC-DLBZAZTESA-N 1 0 284.407 2.430 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccncc1)N(C)C[C@@H]1CCCCO1 ZINC000043354153 175021814 /nfs/dbraw/zinc/02/18/14/175021814.db2.gz VTTJEIYVHPOQFW-JYJNAYRXSA-N 1 0 277.412 2.361 10 0 CEAERO C[C@@H]([NH3+])[C@@H](OCCc1ccccn1)c1ccncc1 ZINC000043356055 175023530 /nfs/dbraw/zinc/02/35/30/175023530.db2.gz OHRAMZAKJAVUKL-IUODEOHRSA-N 1 0 257.337 2.124 10 0 CEAERO COC1CCN([C@H](c2ccc(C)o2)[C@@H](C)[NH3+])CC1 ZINC000043364099 175024493 /nfs/dbraw/zinc/02/44/93/175024493.db2.gz KXOIUGQGILYZPV-RISCZKNCSA-N 1 0 252.358 2.087 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)N(C)Cc1cnn(C)c1 ZINC000043364816 175025691 /nfs/dbraw/zinc/02/56/91/175025691.db2.gz YKVPRGZIDZXGTF-ZFWWWQNUSA-N 1 0 276.384 2.232 10 0 CEAERO Cc1ccc([C@H]([C@H](C)[NH3+])N(CCO)C2CCCC2)o1 ZINC000043365203 175026923 /nfs/dbraw/zinc/02/69/23/175026923.db2.gz JREATOBTYMGGAC-WFASDCNBSA-N 1 0 266.385 2.213 10 0 CEAERO Cc1ccc([C@@H](C[NH3+])n2cc(Br)cn2)o1 ZINC000043365536 175027178 /nfs/dbraw/zinc/02/71/78/175027178.db2.gz ZIRLFKZQTYYQJG-SECBINFHSA-N 1 0 270.130 2.095 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1nc(N)cc(N)n1)c1ccc(C)o1 ZINC000043367714 175027725 /nfs/dbraw/zinc/02/77/25/175027725.db2.gz XBLYVUHWSKDMJQ-PRHODGIISA-N 1 0 293.396 2.113 10 0 CEAERO CC[C@H]([NH3+])[C@H](OCCc1ccccn1)C(F)(F)F ZINC000043384877 175031753 /nfs/dbraw/zinc/03/17/53/175031753.db2.gz CVLFGJCFXCUQFB-QWRGUYRKSA-N 1 0 262.275 2.309 10 0 CEAERO COc1ccc(CO[C@@H]([C@@H](C)[NH3+])C(F)(F)F)cc1 ZINC000043384559 175031762 /nfs/dbraw/zinc/03/17/62/175031762.db2.gz LFPQGWIIYQSPQD-KCJUWKMLSA-N 1 0 263.259 2.490 10 0 CEAERO Cc1ccc([C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000043501802 175058372 /nfs/dbraw/zinc/05/83/72/175058372.db2.gz NPTXTIXMWWLNQM-LZWOXQAQSA-N 1 0 263.381 2.446 10 0 CEAERO CC[C@@H](C[NH3+])Oc1c(F)c(F)c(F)c(F)c1F ZINC000043542208 175063766 /nfs/dbraw/zinc/06/37/66/175063766.db2.gz HGSLGPHAHRWPLU-BYPYZUCNSA-N 1 0 255.186 2.498 10 0 CEAERO C[NH2+]CCC(=O)Nc1ccc(-c2nccs2)cc1 ZINC000043604567 175078119 /nfs/dbraw/zinc/07/81/19/175078119.db2.gz MPWXJFAOKVUYHG-UHFFFAOYSA-N 1 0 261.350 2.358 10 0 CEAERO CC[C@@H]([NH2+][C@@H]1CCNC1=O)c1cccc(Br)c1 ZINC000658052652 415174583 /nfs/dbraw/zinc/17/45/83/415174583.db2.gz FQPYPRVMZHJNQH-VXGBXAGGSA-N 1 0 297.196 2.378 10 0 CEAERO C[NH2+][C@@H](CN1CCOCC1)c1ccc(C(C)C)cc1 ZINC000043808137 175108911 /nfs/dbraw/zinc/10/89/11/175108911.db2.gz KBGXYOJCZANMNY-INIZCTEOSA-N 1 0 262.397 2.403 10 0 CEAERO C[NH2+][C@@H](CN1CCOCC1)C12CC3CC(CC(C3)C1)C2 ZINC000043808010 175109024 /nfs/dbraw/zinc/10/90/24/175109024.db2.gz XZJZFKIHSQVANR-KLZNEWFBSA-N 1 0 278.440 2.123 10 0 CEAERO C[NH2+][C@@H](CN1C[C@@H](C)O[C@@H](C)C1)c1cc(C)ccc1OC ZINC000043811400 175110485 /nfs/dbraw/zinc/11/04/85/175110485.db2.gz CVWQCAUUDQBRFF-LZWOXQAQSA-N 1 0 292.423 2.373 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2C[C@H]1N1C[C@@H](C)O[C@@H](C)C1 ZINC000043811516 175110755 /nfs/dbraw/zinc/11/07/55/175110755.db2.gz AGKBVTDEVBSCJZ-GFOFROLCSA-N 1 0 274.408 2.371 10 0 CEAERO CCC[NH2+][C@H]1CCOC[C@@H]1N(C)C1CCCCC1 ZINC000043815166 175111559 /nfs/dbraw/zinc/11/15/59/175111559.db2.gz AIBCGADYUOPFDG-GJZGRUSLSA-N 1 0 254.418 2.408 10 0 CEAERO CC[NH2+][C@H](CN(C)C)c1ccc2c(c1)OCCCO2 ZINC000043816095 175112598 /nfs/dbraw/zinc/11/25/98/175112598.db2.gz BMIVJSCVCXEPIA-CYBMUJFWSA-N 1 0 264.369 2.060 10 0 CEAERO CCC[NH2+][C@@H]1CCOC[C@@H]1N1CCCCCCC1 ZINC000043819361 175113852 /nfs/dbraw/zinc/11/38/52/175113852.db2.gz MJBDLQBTSJTCKA-CABCVRRESA-N 1 0 254.418 2.410 10 0 CEAERO CCOc1ccccc1[C@H](CN1CCOC[C@@H]1C)[NH2+]C ZINC000043891160 175118103 /nfs/dbraw/zinc/11/81/03/175118103.db2.gz BXMZDAHPOMFTSS-ZFWWWQNUSA-N 1 0 278.396 2.067 10 0 CEAERO CC[NH2+][C@H](c1ccccc1)[C@@H](C)N1CCOC[C@@H]1C ZINC000043891357 175118182 /nfs/dbraw/zinc/11/81/82/175118182.db2.gz AGPGXIRMAXMART-LZWOXQAQSA-N 1 0 262.397 2.446 10 0 CEAERO C[NH2+][C@H](CN1CCOC[C@@H]1C)c1cc(C)ccc1C ZINC000043891136 175118200 /nfs/dbraw/zinc/11/82/00/175118200.db2.gz YTGXQLWIMIEQRD-GOEBONIOSA-N 1 0 262.397 2.285 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2C[C@H]1N1CCO[C@@H](CC)C1 ZINC000043893078 175118459 /nfs/dbraw/zinc/11/84/59/175118459.db2.gz ZOOYXBJJYQABHQ-UAGQMJEPSA-N 1 0 274.408 2.373 10 0 CEAERO C[NH2+][C@H](CN1CCOC(C)(C)C1)c1cccc(OC)c1 ZINC000043897658 175120338 /nfs/dbraw/zinc/12/03/38/175120338.db2.gz RUVYWBWOJBGIOW-OAHLLOKOSA-N 1 0 278.396 2.067 10 0 CEAERO C[NH2+][C@@H](CN1CCOC(C)(C)C1)c1ccccc1OC ZINC000043897627 175120468 /nfs/dbraw/zinc/12/04/68/175120468.db2.gz RNPGSDFBDYEVFJ-AWEZNQCLSA-N 1 0 278.396 2.067 10 0 CEAERO CCC[NH2+][C@H]1CCOC[C@@H]1N(C)Cc1ccccc1F ZINC000043910885 175123254 /nfs/dbraw/zinc/12/32/54/175123254.db2.gz WGOGLGCDGAWVDC-HOTGVXAUSA-N 1 0 280.387 2.415 10 0 CEAERO CCC[NH2+][C@H]1CCOC[C@@H]1N(C)Cc1ccc(OC)cc1 ZINC000043911722 175123891 /nfs/dbraw/zinc/12/38/91/175123891.db2.gz ZKCKNOPUUBZGCB-IRXDYDNUSA-N 1 0 292.423 2.284 10 0 CEAERO CC[C@H]1CO[C@H](C)CN1[C@@H]1CCCCC[C@@H]1[NH2+]C ZINC000043913701 175124122 /nfs/dbraw/zinc/12/41/22/175124122.db2.gz WPNNWBFZNNEBQY-CBBWQLFWSA-N 1 0 254.418 2.406 10 0 CEAERO CC[C@@H]([C@H]([NH2+]C)c1ccccc1)N(CCOC)CCOC ZINC000043912611 175124536 /nfs/dbraw/zinc/12/45/36/175124536.db2.gz NMMALRXACVVSDY-DLBZAZTESA-N 1 0 294.439 2.321 10 0 CEAERO C[NH2+][C@@H](CN(C)CCOC)c1ccc(OC(C)C)cc1 ZINC000043915483 175124803 /nfs/dbraw/zinc/12/48/03/175124803.db2.gz FPAQJHZHPNHGCS-INIZCTEOSA-N 1 0 280.412 2.313 10 0 CEAERO CCCc1ccc([C@@H](CN(C)CCOC)[NH2+]C)cc1 ZINC000043915493 175125068 /nfs/dbraw/zinc/12/50/68/175125068.db2.gz XZNVQGCAVOOOAE-MRXNPFEDSA-N 1 0 264.413 2.478 10 0 CEAERO CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N1CCOCC1(C)C ZINC000043916948 175125749 /nfs/dbraw/zinc/12/57/49/175125749.db2.gz JMPMZWVBERGFMW-RDBSUJKOSA-N 1 0 254.418 2.264 10 0 CEAERO C[NH2+][C@H]1CCCCCC[C@@H]1N(C)C[C@@H]1CCCO1 ZINC000043965804 175127112 /nfs/dbraw/zinc/12/71/12/175127112.db2.gz ZSFMCUNNJPGJIQ-KKUMJFAQSA-N 1 0 254.418 2.408 10 0 CEAERO CC[NH2+][C@H](CN(C)[C@@H](C)COC)c1cccc(OC)c1 ZINC000043969214 175130372 /nfs/dbraw/zinc/13/03/72/175130372.db2.gz KNTCRUPBNVKQLJ-XJKSGUPXSA-N 1 0 280.412 2.313 10 0 CEAERO CC[NH2+][C@@H]1CCCc2cc(OC[C@H]3CNC(=O)O3)ccc21 ZINC000044745577 175241969 /nfs/dbraw/zinc/24/19/69/175241969.db2.gz MFFSPQYMKAPHAV-UKRRQHHQSA-N 1 0 290.363 2.161 10 0 CEAERO COCCOCC[NH2+][C@H]1CCCc2cc(O)ccc21 ZINC000044747627 175243106 /nfs/dbraw/zinc/24/31/06/175243106.db2.gz IUIRSLJSVHIFDW-HNNXBMFYSA-N 1 0 265.353 2.022 10 0 CEAERO [NH3+]CC1(C(=O)N2CCO[C@@H]3CCC[C@H]32)CCCCCC1 ZINC000044764335 175248348 /nfs/dbraw/zinc/24/83/48/175248348.db2.gz NOMBVVIERGJDRJ-ZIAGYGMSSA-N 1 0 280.412 2.066 10 0 CEAERO [NH3+]C[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000044795302 175254644 /nfs/dbraw/zinc/25/46/44/175254644.db2.gz NOGHGKHOJVSXLN-CQSZACIVSA-N 1 0 254.333 2.443 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)Nc1ccc(OCC)cc1 ZINC000044797588 175254775 /nfs/dbraw/zinc/25/47/75/175254775.db2.gz MQMFWNSPWOVAOG-LLVKDONJSA-N 1 0 250.342 2.399 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)Nc1ccc(OC)c(OC)c1 ZINC000044798427 175255123 /nfs/dbraw/zinc/25/51/23/175255123.db2.gz SWUVNLFOQQHTSO-JTQLQIEISA-N 1 0 266.341 2.017 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)N1C[C@H](C)OC[C@@H]1C ZINC000044801503 175255448 /nfs/dbraw/zinc/25/54/48/175255448.db2.gz UZRRKSHJKZEBNN-STQMWFEESA-N 1 0 270.417 2.168 10 0 CEAERO CC[C@@H]1CCCN(C(=O)[C@@H](C[NH3+])Cc2ccccc2)C1 ZINC000044802131 175255585 /nfs/dbraw/zinc/25/55/85/175255585.db2.gz DZXRRBQPVYNBSC-GDBMZVCRSA-N 1 0 274.408 2.453 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N(C)Cc1ccccc1OC ZINC000044804143 175256202 /nfs/dbraw/zinc/25/62/02/175256202.db2.gz FZEISDLWGZOQAJ-GFCCVEGCSA-N 1 0 264.369 2.029 10 0 CEAERO CC(C)CCN(C)C(=O)[C@H](C[NH3+])Cc1ccccc1 ZINC000044804457 175256249 /nfs/dbraw/zinc/25/62/49/175256249.db2.gz MQXBBXMETVJEQV-HNNXBMFYSA-N 1 0 262.397 2.309 10 0 CEAERO CC[C@@H]1CCCN1C(=O)[C@@H](C[NH3+])Cc1ccccc1 ZINC000044803289 175256305 /nfs/dbraw/zinc/25/63/05/175256305.db2.gz AADORWSRBHIIOB-HUUCEWRRSA-N 1 0 260.381 2.205 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)N(CCC)CC(F)(F)F ZINC000044808173 175256821 /nfs/dbraw/zinc/25/68/21/175256821.db2.gz NLXVEIOYKIHPTG-VIFPVBQESA-N 1 0 254.296 2.162 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)NC[C@H]1CCCCO1 ZINC000044808198 175256846 /nfs/dbraw/zinc/25/68/46/175256846.db2.gz FRQUKPWRWXRQKR-CYBMUJFWSA-N 1 0 270.417 2.217 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)N(CC)[C@H](C)COC ZINC000044808086 175256865 /nfs/dbraw/zinc/25/68/65/175256865.db2.gz XKDVHNGBVGDXAL-CYBMUJFWSA-N 1 0 272.433 2.415 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](c2nc(C3CCC(C)CC3)no2)C1 ZINC000044982925 175283893 /nfs/dbraw/zinc/28/38/93/175283893.db2.gz KZOURDLQIOCJFO-QQFIATSDSA-N 1 0 265.357 2.413 10 0 CEAERO Cc1nccc(CNC(=O)Nc2cccc([C@H](C)[NH3+])c2)n1 ZINC000044984719 175284094 /nfs/dbraw/zinc/28/40/94/175284094.db2.gz YXYZIQNHIBDOAG-JTQLQIEISA-N 1 0 285.351 2.126 10 0 CEAERO C[C@@H](N)[C@@H](c1cnn(C)c1)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045067056 175300279 /nfs/dbraw/zinc/30/02/79/175300279.db2.gz NXBNMSFXCYRGJI-WQVCFCJDSA-N 1 0 276.428 2.463 10 0 CEAERO CC(C)CCOCC[NH2+]C[C@@H](O)CO[C@H](C)CC(C)C ZINC000045106721 175308186 /nfs/dbraw/zinc/30/81/86/175308186.db2.gz PQNQGMGEBPVDBM-HZPDHXFCSA-N 1 0 289.460 2.451 10 0 CEAERO Cn1ccnc1CCNc1ccc(N)c2c[nH+]ccc12 ZINC000045118476 175311337 /nfs/dbraw/zinc/31/13/37/175311337.db2.gz CHHRCHZONRATMQ-UHFFFAOYSA-N 1 0 267.336 2.205 10 0 CEAERO CC1(C)C[C@@H]1NC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000045136600 175314174 /nfs/dbraw/zinc/31/41/74/175314174.db2.gz RSWQVFUDGVZDJU-AWEZNQCLSA-N 1 0 272.392 2.223 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N[C@@H]2CC2(C)C)cc1 ZINC000045138117 175314738 /nfs/dbraw/zinc/31/47/38/175314738.db2.gz YQPXDDJBSHPAKW-GXFFZTMASA-N 1 0 282.409 2.044 10 0 CEAERO CCn1nc(C)c([C@@H](C)N2CCC([NH3+])CC2)c1C ZINC000045173236 175322198 /nfs/dbraw/zinc/32/21/98/175322198.db2.gz FRRNDFOTHDFSOA-LLVKDONJSA-N 1 0 250.390 2.004 10 0 CEAERO CCCC[N@H+](C)CC[C@@](C)(NC(C)C)C(=O)OCC ZINC000045222232 175330545 /nfs/dbraw/zinc/33/05/45/175330545.db2.gz PKZHSZFOZDOJOA-OAHLLOKOSA-N 1 0 272.433 2.428 10 0 CEAERO CCCN[C@](C)(C[N@@H+]1CCCC[C@@H]1C)C(=O)OCC ZINC000045226977 175333264 /nfs/dbraw/zinc/33/32/64/175333264.db2.gz ZJCSWYDWWMAXGE-DZGCQCFKSA-N 1 0 270.417 2.182 10 0 CEAERO CCCN[C@](C[N@H+](C)[C@@H](C)CC)(C(N)=O)c1ccccc1 ZINC000045263794 175337734 /nfs/dbraw/zinc/33/77/34/175337734.db2.gz HOYOUYAFFGBYNW-YOEHRIQHSA-N 1 0 291.439 2.097 10 0 CEAERO CCC[N@H+](C[C@@](NC)(C(=O)OC)c1ccccc1)C(C)C ZINC000045266700 175339136 /nfs/dbraw/zinc/33/91/36/175339136.db2.gz ZZJAQBPUFINFSA-KRWDZBQOSA-N 1 0 292.423 2.395 10 0 CEAERO CCCN[C@@](C)(CC[N@H+](CCC)C1CC1)C(=O)OC ZINC000045268005 175339665 /nfs/dbraw/zinc/33/96/65/175339665.db2.gz KCNVAPFYPGKOIP-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CCC[N@H+](CC)CC[C@@](C)(NC(C)C)C(=O)OC ZINC000045267718 175340036 /nfs/dbraw/zinc/34/00/36/175340036.db2.gz YHXSTNZRPQDKPR-CQSZACIVSA-N 1 0 258.406 2.038 10 0 CEAERO CCCCC[N@H+](C)C[C@@](NC)(C(=O)OC)c1ccccc1 ZINC000045268075 175340311 /nfs/dbraw/zinc/34/03/11/175340311.db2.gz HMXVIOJDTMWSCP-KRWDZBQOSA-N 1 0 292.423 2.396 10 0 CEAERO CCC[NH2+][C@@](C)(CC[N@H+](C)[C@@H](C)C(C)C)C(=O)[O-] ZINC000045269901 175341522 /nfs/dbraw/zinc/34/15/22/175341522.db2.gz TYEFGVBUDJZSBN-JSGCOSHPSA-N 1 0 258.406 2.196 10 0 CEAERO CCOC(=O)[C@@](N)(C[N@H+](C)[C@@H](C)C(C)C)c1ccccc1 ZINC000045269794 175341641 /nfs/dbraw/zinc/34/16/41/175341641.db2.gz ZKJXDSCFVVGPKK-WMLDXEAASA-N 1 0 292.423 2.380 10 0 CEAERO CCCN[C@](C)(C[N@H+](C)[C@@H](C)C(C)(C)C)C(=O)OC ZINC000045274725 175344850 /nfs/dbraw/zinc/34/48/50/175344850.db2.gz AJTJZIIHXPNOJU-SWLSCSKDSA-N 1 0 272.433 2.284 10 0 CEAERO CCCC[N@H+](C[C@@](C)(NC(C)C)C(=O)OC)C1CC1 ZINC000045276268 175346224 /nfs/dbraw/zinc/34/62/24/175346224.db2.gz UJQHQKOBPMSIPW-OAHLLOKOSA-N 1 0 270.417 2.181 10 0 CEAERO CCCC[N@H+](CC[C@](C)(NC)C(=O)OCC)C1CC1 ZINC000045276336 175346378 /nfs/dbraw/zinc/34/63/78/175346378.db2.gz DNOQDJDDTDPHKK-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CCC[N@H+](CC1CC1)C[C@](C)(NC(C)C)C(=O)OCC ZINC000045276845 175346382 /nfs/dbraw/zinc/34/63/82/175346382.db2.gz WOMIIPTYNGFGFT-INIZCTEOSA-N 1 0 284.444 2.428 10 0 CEAERO COC(=O)[C@@](C)(C[N@@H+]1CCC[C@@H]1C1CCCC1)NC1CC1 ZINC000045277385 175347014 /nfs/dbraw/zinc/34/70/14/175347014.db2.gz OIRMCPARDKUVLJ-NVXWUHKLSA-N 1 0 294.439 2.325 10 0 CEAERO CCN[C@](C)(C[N@H+](CC)CC(CC)CC)C(=O)OC ZINC000045277781 175347337 /nfs/dbraw/zinc/34/73/37/175347337.db2.gz RIFXVBJFYGUCGZ-OAHLLOKOSA-N 1 0 272.433 2.286 10 0 CEAERO COC(=O)[C@@](C)(C[N@H+](CC(C)C)C1CC1)NC(C)C ZINC000045277507 175347650 /nfs/dbraw/zinc/34/76/50/175347650.db2.gz PSJKVBHWISGUOX-OAHLLOKOSA-N 1 0 270.417 2.037 10 0 CEAERO COC(=O)[C@@](C)(C[N@H+](CC1CC1)C(C)C)NC(C)C ZINC000045280987 175350861 /nfs/dbraw/zinc/35/08/61/175350861.db2.gz BSHSZSWICFXIPJ-OAHLLOKOSA-N 1 0 270.417 2.037 10 0 CEAERO CCC1CCC([N@H+](C)CC[C@@](C)([NH2+]C)C(=O)[O-])CC1 ZINC000045281128 175351746 /nfs/dbraw/zinc/35/17/46/175351746.db2.gz GVVPZLSETHUFLJ-SSDMNJCBSA-N 1 0 270.417 2.340 10 0 CEAERO CCC1CC[NH+](CC[C@](C)([NH2+]C(C)C)C(=O)[O-])CC1 ZINC000045281421 175351761 /nfs/dbraw/zinc/35/17/61/175351761.db2.gz RSKWATHFUOEFEQ-HNNXBMFYSA-N 1 0 270.417 2.340 10 0 CEAERO CCC[NH2+][C@@](C)(CC[NH+]1CCC(CC)CC1)C(=O)[O-] ZINC000045281416 175351801 /nfs/dbraw/zinc/35/18/01/175351801.db2.gz BAHSXYUJBSBRMQ-HNNXBMFYSA-N 1 0 270.417 2.341 10 0 CEAERO CCC1CCC([N@H+](C)CC[C@](C)(NC2CC2)C(N)=O)CC1 ZINC000045281162 175352036 /nfs/dbraw/zinc/35/20/36/175352036.db2.gz ADUJVHDJHCRHPS-PGEKIEPBSA-N 1 0 295.471 2.273 10 0 CEAERO CCCN[C@@](C)(C[N@H+](C)CC1CCCCC1)C(=O)OC ZINC000045281567 175352724 /nfs/dbraw/zinc/35/27/24/175352724.db2.gz PQGPKNIMAVIKQW-INIZCTEOSA-N 1 0 284.444 2.430 10 0 CEAERO CCCC[N@H+](C)CCC[C@](C)(NC)C(=O)OCC ZINC000045368351 175363002 /nfs/dbraw/zinc/36/30/02/175363002.db2.gz MCIMJIAIYYDSLE-AWEZNQCLSA-N 1 0 258.406 2.040 10 0 CEAERO CCOC(=O)[C@@](C)([NH3+])CCCN1c2ccccc2C[C@@H]1C ZINC000045369059 175363469 /nfs/dbraw/zinc/36/34/69/175363469.db2.gz IORMGXYAAOKRCO-GUYCJALGSA-N 1 0 290.407 2.498 10 0 CEAERO CCOC(=O)[C@@](C)(CCC[NH+]1CCC(C)CC1)NC ZINC000045374945 175365381 /nfs/dbraw/zinc/36/53/81/175365381.db2.gz PKPVJTMIVCSKAE-OAHLLOKOSA-N 1 0 270.417 2.040 10 0 CEAERO COC(=O)[C@@](C)(CCC[NH+]1CCC(C)CC1)NC(C)C ZINC000045375011 175365542 /nfs/dbraw/zinc/36/55/42/175365542.db2.gz KMHZGELPXMVXCY-MRXNPFEDSA-N 1 0 284.444 2.428 10 0 CEAERO CCC[NH2+][C@](C)(CCCC[NH+]1CCCC1)C(=O)[O-] ZINC000045375207 175366155 /nfs/dbraw/zinc/36/61/55/175366155.db2.gz JTAHUIJVBMLJKW-CQSZACIVSA-N 1 0 256.390 2.095 10 0 CEAERO CCOC(=O)[C@](C)(CCCC[N@H+](C)[C@@H](C)CC)NC ZINC000045381272 175370297 /nfs/dbraw/zinc/37/02/97/175370297.db2.gz YWSMSTMAAWGFNK-ZFWWWQNUSA-N 1 0 272.433 2.428 10 0 CEAERO CCOC(=O)[C@@](C)(CCC[N@H+](C)CC)NC(C)C ZINC000045382912 175371505 /nfs/dbraw/zinc/37/15/05/175371505.db2.gz IQVTXXJJAMPTHI-CQSZACIVSA-N 1 0 258.406 2.038 10 0 CEAERO CCCN[C@](C)(CCC[N@H+](CC)C1CC1)C(=O)OC ZINC000045386569 175372941 /nfs/dbraw/zinc/37/29/41/175372941.db2.gz OVHSUOQWVJPEDJ-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CCOC(=O)[C@](C)(CCC[N@H+](C)[C@@H](C)C(C)C)NC ZINC000045392122 175375642 /nfs/dbraw/zinc/37/56/42/175375642.db2.gz QGNUGIDVJANNTL-ZFWWWQNUSA-N 1 0 272.433 2.284 10 0 CEAERO CCN(CCCC[C@](C)([NH2+]C)C(N)=O)c1cccc(F)c1 ZINC000045421319 175379887 /nfs/dbraw/zinc/37/98/87/175379887.db2.gz WQCMNRXKZDNTNR-INIZCTEOSA-N 1 0 295.402 2.286 10 0 CEAERO CC(C)n1ccnc1C[N@@H+]1CCCC[C@@H]1[C@@H](C)CO ZINC000661434004 415260710 /nfs/dbraw/zinc/26/07/10/415260710.db2.gz GJWYQZHLVPLIQY-UONOGXRCSA-N 1 0 265.401 2.447 10 0 CEAERO CN1C[C@@H](C[NH2+][C@@H]2CCCC23CCCC3)CC1=O ZINC000658239111 415269668 /nfs/dbraw/zinc/26/96/68/415269668.db2.gz BAYRXEPGOLWCHM-CHWSQXEVSA-N 1 0 250.386 2.167 10 0 CEAERO CN1C[C@H](C[NH2+][C@H]2CCCC23CCCC3)CC1=O ZINC000658239118 415271357 /nfs/dbraw/zinc/27/13/57/415271357.db2.gz BAYRXEPGOLWCHM-STQMWFEESA-N 1 0 250.386 2.167 10 0 CEAERO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)C1CCCCCC1 ZINC000658241636 415273223 /nfs/dbraw/zinc/27/32/23/415273223.db2.gz YNIILWFPZNFPAU-STQMWFEESA-N 1 0 252.402 2.413 10 0 CEAERO C[C@H](NC(=O)[C@H]1CC[C@H]([NH3+])C1)C1CCC(F)(F)CC1 ZINC000655525196 415327927 /nfs/dbraw/zinc/32/79/27/415327927.db2.gz HOISKBXDESAWAW-DLOVCJGASA-N 1 0 274.355 2.444 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+]C2CC(CO)C2)C12CCCCC2 ZINC000658355141 415335155 /nfs/dbraw/zinc/33/51/55/415335155.db2.gz GQGHKGAPHSABRY-CVSAEHQPSA-N 1 0 267.413 2.475 10 0 CEAERO C[C@@]1(C(=O)Nc2ccc(F)c(F)c2F)CC[NH2+]C1 ZINC000062888256 175676625 /nfs/dbraw/zinc/67/66/25/175676625.db2.gz KTHWCBHYCWZXQN-GFCCVEGCSA-N 1 0 258.243 2.042 10 0 CEAERO [NH3+]C[C@@H]1Cc2cccc(-c3n[nH]c4ccccc43)c2O1 ZINC000067879892 175799503 /nfs/dbraw/zinc/79/95/03/175799503.db2.gz TUKPIEBQCNLABD-NSHDSACASA-N 1 0 265.316 2.492 10 0 CEAERO CC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000659386130 415556807 /nfs/dbraw/zinc/55/68/07/415556807.db2.gz MMDMDJGDZSROGZ-ZGHZMMAESA-N 1 0 250.386 2.164 10 0 CEAERO CCC[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)N2CCCCC2)CCO1 ZINC000070358527 175888624 /nfs/dbraw/zinc/88/86/24/175888624.db2.gz WVUBQEZLTHJXSV-ZNMIVQPWSA-N 1 0 282.428 2.325 10 0 CEAERO [NH3+][C@H](c1ccc2c(c1)CC(=O)N2)[C@@H]1COc2ccccc21 ZINC000070389986 175906568 /nfs/dbraw/zinc/90/65/68/175906568.db2.gz RUCCSLDVTBUZBD-CXAGYDPISA-N 1 0 280.327 2.357 10 0 CEAERO [NH3+][C@@H](c1ccc2c(c1)CC(=O)N2)[C@H]1COc2ccccc21 ZINC000070389989 175906642 /nfs/dbraw/zinc/90/66/42/175906642.db2.gz RUCCSLDVTBUZBD-GUYCJALGSA-N 1 0 280.327 2.357 10 0 CEAERO CC[NH2+]C[C@H](C)c1nc(-c2ccc3nccnc3c2)no1 ZINC000070432472 175927241 /nfs/dbraw/zinc/92/72/41/175927241.db2.gz SFXZKTHQCBJLFB-JTQLQIEISA-N 1 0 283.335 2.393 10 0 CEAERO CCc1cc(NC2CC[NH2+]CC2)nc(-c2cccnc2)n1 ZINC000070451740 175939886 /nfs/dbraw/zinc/93/98/86/175939886.db2.gz ZMBUBOWDTMPKTB-UHFFFAOYSA-N 1 0 283.379 2.265 10 0 CEAERO C[C@H](C[C@](C)(CO)[NH2+]C1CC1)n1ncc2ccccc21 ZINC000070515662 175964742 /nfs/dbraw/zinc/96/47/42/175964742.db2.gz AVSUSKXBBCSNED-MLGOLLRUSA-N 1 0 273.380 2.490 10 0 CEAERO C[NH2+][C@](CO)(COc1ccc2c(c1)CCCC2)C1CC1 ZINC000070516898 175965678 /nfs/dbraw/zinc/96/56/78/175965678.db2.gz SNAFQRBOCNBDOD-QGZVFWFLSA-N 1 0 275.392 2.305 10 0 CEAERO CC[NH2+][C@](C)(CO)CCCOc1c(OC)cccc1OC ZINC000070517909 175966165 /nfs/dbraw/zinc/96/61/65/175966165.db2.gz PYSVUKGBKQRLKU-INIZCTEOSA-N 1 0 297.395 2.223 10 0 CEAERO C[NH2+][C@](CO)(CSc1ncnc2ccccc21)C1CC1 ZINC000070521050 175966402 /nfs/dbraw/zinc/96/64/02/175966402.db2.gz PJDUUOBDCGTLOE-OAHLLOKOSA-N 1 0 289.404 2.082 10 0 CEAERO O=C(N[C@@H]1CCCC[NH2+]C1)c1ccccc1Cl ZINC000070534232 175974453 /nfs/dbraw/zinc/97/44/53/175974453.db2.gz WJGCZSYPECDWPN-SNVBAGLBSA-N 1 0 252.745 2.212 10 0 CEAERO C[C@@H]1CCC[C@@H](CC[NH2+][C@@H]2CCCCNC2=O)C1 ZINC000070539183 175976741 /nfs/dbraw/zinc/97/67/41/175976741.db2.gz RHMIDKKOAUURLA-HZSPNIEDSA-N 1 0 252.402 2.461 10 0 CEAERO Cc1cnccc1NC(=O)c1ccccc1CC[NH3+] ZINC000070542408 175977776 /nfs/dbraw/zinc/97/77/76/175977776.db2.gz YVPJKPCNPWPWSE-UHFFFAOYSA-N 1 0 255.321 2.144 10 0 CEAERO CN(Cc1ccc(O)cc1)C(=O)c1ccc(CC[NH3+])cc1 ZINC000070552365 175981401 /nfs/dbraw/zinc/98/14/01/175981401.db2.gz LYUKUUKZKHZZFJ-UHFFFAOYSA-N 1 0 284.359 2.166 10 0 CEAERO [NH3+][C@H]1CCC[C@@H](C(=O)N2CCC[C@@H]2c2ccncc2)C1 ZINC000070574322 175989379 /nfs/dbraw/zinc/98/93/79/175989379.db2.gz PAMPDJLXADSDHF-QLFBSQMISA-N 1 0 273.380 2.263 10 0 CEAERO C[C@H](CNC(=O)[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000070577706 175993452 /nfs/dbraw/zinc/99/34/52/175993452.db2.gz WGUZNRGLDYGSNJ-SNPRPXQTSA-N 1 0 260.381 2.424 10 0 CEAERO [NH3+]Cc1ccn(Cc2cc(Br)ccc2F)n1 ZINC000070708202 176002316 /nfs/dbraw/zinc/00/23/16/176002316.db2.gz RYRLSVCAOJQMGZ-UHFFFAOYSA-N 1 0 284.132 2.292 10 0 CEAERO [NH3+]Cc1ccn(Cc2ccccc2Br)n1 ZINC000070708160 176002381 /nfs/dbraw/zinc/00/23/81/176002381.db2.gz LOQBKBUKNOLXDJ-UHFFFAOYSA-N 1 0 266.142 2.153 10 0 CEAERO c1csc(CCNC2=[NH+]C[C@@H](C3CC3)S2)n1 ZINC000070889327 176010747 /nfs/dbraw/zinc/01/07/47/176010747.db2.gz URKZNQAUGYZQMR-VIFPVBQESA-N 1 0 253.396 2.157 10 0 CEAERO [NH3+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccc2ncccc2c1 ZINC000070987266 176018346 /nfs/dbraw/zinc/01/83/46/176018346.db2.gz XBYYVNCGAAUONO-PBHICJAKSA-N 1 0 281.359 2.388 10 0 CEAERO CCc1ccccc1[C@@H]1[C@H]([NH3+])CCC(=O)N1C1CC1 ZINC000070987074 176018468 /nfs/dbraw/zinc/01/84/68/176018468.db2.gz OLGYAJLSEGBEBM-GDBMZVCRSA-N 1 0 258.365 2.402 10 0 CEAERO [NH3+]Cc1cccc(OCCn2cc(C(F)(F)F)cn2)c1 ZINC000070989818 176018956 /nfs/dbraw/zinc/01/89/56/176018956.db2.gz HGTSONOWEZEFMA-UHFFFAOYSA-N 1 0 285.269 2.440 10 0 CEAERO Oc1ccc(C[NH2+][C@H]2CCCOC2)cc1Br ZINC000071012614 176020714 /nfs/dbraw/zinc/02/07/14/176020714.db2.gz FXOGHHHOEXJTAZ-JTQLQIEISA-N 1 0 286.169 2.423 10 0 CEAERO C[NH2+][C@H](Cc1ccc(Br)cn1)C1CC1 ZINC000071004130 176021155 /nfs/dbraw/zinc/02/11/55/176021155.db2.gz YJRSUFGBHSHGTI-LLVKDONJSA-N 1 0 255.159 2.385 10 0 CEAERO C[C@@H](NCc1cnccc1C(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000665299432 415689321 /nfs/dbraw/zinc/68/93/21/415689321.db2.gz MYKOSKNMLPKCNO-NXEZZACHSA-N 1 0 273.302 2.188 10 0 CEAERO C[C@H](c1ccccc1F)N1CC[C@H]([NH2+]C2CC2)C1=O ZINC000071031902 176023023 /nfs/dbraw/zinc/02/30/23/176023023.db2.gz GLHPFHOVINUQGF-YGRLFVJLSA-N 1 0 262.328 2.240 10 0 CEAERO C[C@@H](c1ccccc1F)N1CC[C@@H]([NH2+]C2CC2)C1=O ZINC000071031903 176023055 /nfs/dbraw/zinc/02/30/55/176023055.db2.gz GLHPFHOVINUQGF-IINYFYTJSA-N 1 0 262.328 2.240 10 0 CEAERO CC(C)[NH2+][C@H]1CCCN(Cc2ccccc2F)C1=O ZINC000071032835 176023520 /nfs/dbraw/zinc/02/35/20/176023520.db2.gz WJNLMYBRHWZVFM-AWEZNQCLSA-N 1 0 264.344 2.315 10 0 CEAERO CCC1CCC(N2CC[C@H]([NH2+]C3CC3)C2=O)CC1 ZINC000071035269 176024819 /nfs/dbraw/zinc/02/48/19/176024819.db2.gz JBCTWTGDKGUSKI-UBHUBRDASA-N 1 0 250.386 2.308 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCCN1Cc1ccc(F)c(F)c1 ZINC000071034462 176025020 /nfs/dbraw/zinc/02/50/20/176025020.db2.gz RMGSPRMELDDXQL-AWEZNQCLSA-N 1 0 280.318 2.208 10 0 CEAERO Cc1nc(N2CCC[C@H]([NH2+]C3CC3)C2=O)sc1C ZINC000071037181 176025933 /nfs/dbraw/zinc/02/59/33/176025933.db2.gz ZOAJXJDFTWKMDZ-NSHDSACASA-N 1 0 265.382 2.007 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCN1C1CCCCCCC1 ZINC000071037731 176026411 /nfs/dbraw/zinc/02/64/11/176026411.db2.gz YXXXYTTUJAFSPE-AWEZNQCLSA-N 1 0 250.386 2.452 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCCN1CCc1ccccc1F ZINC000071038355 176027033 /nfs/dbraw/zinc/02/70/33/176027033.db2.gz MDCYXSOLSFYXSV-HNNXBMFYSA-N 1 0 276.355 2.111 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCN1c1ccc(Cl)cc1F ZINC000071039966 176027296 /nfs/dbraw/zinc/02/72/96/176027296.db2.gz FFDYTSPXGKYORA-NSHDSACASA-N 1 0 268.719 2.336 10 0 CEAERO CC(C)Oc1ccc(N2CC[C@H]([NH2+]C3CC3)C2=O)cc1 ZINC000071039094 176027331 /nfs/dbraw/zinc/02/73/31/176027331.db2.gz DBYKYUWKTXRRHG-HNNXBMFYSA-N 1 0 274.364 2.331 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCCN1CCc1cc(F)cc(F)c1 ZINC000071042457 176028408 /nfs/dbraw/zinc/02/84/08/176028408.db2.gz ZCACGFOYHFCBQC-OAHLLOKOSA-N 1 0 294.345 2.250 10 0 CEAERO Cc1cc(N2CCC[C@@H]([NH2+]C3CC3)C2=O)ccc1F ZINC000071042702 176028587 /nfs/dbraw/zinc/02/85/87/176028587.db2.gz OHCMDUSFDYJTIL-CQSZACIVSA-N 1 0 262.328 2.382 10 0 CEAERO CC[C@H](CC1CC1)N1CCC[C@H]([NH2+]C2CC2)C1=O ZINC000071043913 176029787 /nfs/dbraw/zinc/02/97/87/176029787.db2.gz UEFZHXQLZBNNGI-KGLIPLIRSA-N 1 0 250.386 2.308 10 0 CEAERO CCN(C[C@@H]1OCCc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000071092219 176031904 /nfs/dbraw/zinc/03/19/04/176031904.db2.gz UNDROZLFSNUAOH-WBVHZDCISA-N 1 0 274.408 2.374 10 0 CEAERO C[C@@H]([NH3+])Cc1cnn(C[C@@H]2OCCc3ccccc32)c1 ZINC000071099185 176032829 /nfs/dbraw/zinc/03/28/29/176032829.db2.gz RZXOJBABUYFCEV-WBMJQRKESA-N 1 0 271.364 2.087 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccccc2Br)C1 ZINC000071140004 176038462 /nfs/dbraw/zinc/03/84/62/176038462.db2.gz WGOLBRPYCJIWID-JTQLQIEISA-N 1 0 297.196 2.225 10 0 CEAERO C[NH2+]C[C@H]1CCN(Cc2c(F)c(F)c(F)c(F)c2F)C1 ZINC000071145995 176041856 /nfs/dbraw/zinc/04/18/56/176041856.db2.gz VWAUNILQQUOYOM-SSDOTTSWSA-N 1 0 294.267 2.423 10 0 CEAERO CC[C@H]1CCCC[C@]1(NCC[NH+](CC)CC)C(=O)OC ZINC000071162667 176046537 /nfs/dbraw/zinc/04/65/37/176046537.db2.gz VFMXSHKDRAPFBF-GOEBONIOSA-N 1 0 284.444 2.430 10 0 CEAERO CC[C@H]1CCCC[C@@]1(C[NH3+])N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071162240 176046628 /nfs/dbraw/zinc/04/66/28/176046628.db2.gz RTFZFIGXCBZJJC-PMPSAXMXSA-N 1 0 267.461 2.168 10 0 CEAERO CC[C@@H]1CCCC[C@@]1(C[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000071161472 176046640 /nfs/dbraw/zinc/04/66/40/176046640.db2.gz XFPSLLVWCQRCLS-BARDWOONSA-N 1 0 254.418 2.393 10 0 CEAERO NC(=[NH2+])c1ncccc1COc1cc(F)ccc1F ZINC000071167869 176049252 /nfs/dbraw/zinc/04/92/52/176049252.db2.gz MFWAODDGQCRJSL-UHFFFAOYSA-N 1 0 263.247 2.223 10 0 CEAERO CC[NH2+][C@H]1CCOC[C@@H]1Oc1cc(F)ccc1F ZINC000071167427 176049660 /nfs/dbraw/zinc/04/96/60/176049660.db2.gz ZLPDPHSMNZDMPZ-AAEUAGOBSA-N 1 0 257.280 2.111 10 0 CEAERO COc1ccc(C[C@](C)([NH3+])c2noc(C3CC3)n2)cc1 ZINC000071169892 176050634 /nfs/dbraw/zinc/05/06/34/176050634.db2.gz QWHPTQDPNZLCGB-HNNXBMFYSA-N 1 0 273.336 2.372 10 0 CEAERO CC(C)Oc1cncc(N(CCC[NH3+])C2CCCC2)n1 ZINC000071175760 176054470 /nfs/dbraw/zinc/05/44/70/176054470.db2.gz WZJPKTPXQMDLGD-UHFFFAOYSA-N 1 0 278.400 2.362 10 0 CEAERO CCCOc1cncc(N[C@@H]2CCCCC[C@H]2[NH3+])n1 ZINC000071176208 176054817 /nfs/dbraw/zinc/05/48/17/176054817.db2.gz ZVFOOOMABSBQFR-VXGBXAGGSA-N 1 0 264.373 2.337 10 0 CEAERO CN1CC[C@H]([NH2+]Cc2ccccc2C(F)(F)F)C1=O ZINC000071183870 176059125 /nfs/dbraw/zinc/05/91/25/176059125.db2.gz QRNBFEPDGGSMJV-NSHDSACASA-N 1 0 272.270 2.026 10 0 CEAERO [NH3+]Cc1ccccc1N[C@@H](CO)Cc1ccccc1 ZINC000071187507 176060782 /nfs/dbraw/zinc/06/07/82/176060782.db2.gz DAGXRMWTVSKJIZ-OAHLLOKOSA-N 1 0 256.349 2.161 10 0 CEAERO CN(Cc1cc(N)ccc1Cl)C[C@@H]1CC[N@H+](C)C1 ZINC000071187771 176061179 /nfs/dbraw/zinc/06/11/79/176061179.db2.gz KMKIUYGFCAROQU-LLVKDONJSA-N 1 0 267.804 2.306 10 0 CEAERO CN(C[C@H]1CC[N@H+](C)C1)c1ccc2ncccc2c1N ZINC000071188536 176062853 /nfs/dbraw/zinc/06/28/53/176062853.db2.gz DKOHZUDGYDVJBY-LBPRGKRZSA-N 1 0 270.380 2.205 10 0 CEAERO Fc1ccc(F)c(CN2CC[C@H]([NH2+]C3CC3)C2)c1 ZINC000071199929 176077117 /nfs/dbraw/zinc/07/71/17/176077117.db2.gz UKNSUUPMSRJGGZ-ZDUSSCGKSA-N 1 0 252.308 2.291 10 0 CEAERO COc1ccc(CN2CC[C@H]([NH2+]C(C)C)C2)c(OC)c1 ZINC000071199836 176077297 /nfs/dbraw/zinc/07/72/97/176077297.db2.gz YAOXOBLOHXGRMV-AWEZNQCLSA-N 1 0 278.396 2.276 10 0 CEAERO CCOC(=O)c1ncsc1NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000071202018 176078092 /nfs/dbraw/zinc/07/80/92/176078092.db2.gz BZFZXTIPOCEWHS-LLVKDONJSA-N 1 0 297.424 2.462 10 0 CEAERO COc1cc(OC)c([C@H]2C[NH2+][C@H](C)C2)cc1OC ZINC000071202224 176078306 /nfs/dbraw/zinc/07/83/06/176078306.db2.gz FZTJCURNYBPEDY-NXEZZACHSA-N 1 0 251.326 2.178 10 0 CEAERO Cc1ncsc1CN1CC[C@@H](C[NH2+]C2CC2)C1 ZINC000071213150 176084982 /nfs/dbraw/zinc/08/49/82/176084982.db2.gz ISLMXFZTFTVLJV-NSHDSACASA-N 1 0 251.399 2.025 10 0 CEAERO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1scnc1C ZINC000071213598 176085391 /nfs/dbraw/zinc/08/53/91/176085391.db2.gz URBKAMINQGATNK-YOGCLGLASA-N 1 0 251.399 2.166 10 0 CEAERO COC[C@@H](O)C[NH2+]C1c2ccccc2Cc2ccccc21 ZINC000071264328 176097516 /nfs/dbraw/zinc/09/75/16/176097516.db2.gz XEMUOHJQMLVBNC-HNNXBMFYSA-N 1 0 283.371 2.277 10 0 CEAERO C[C@H](c1ccc2c(c1)OCCCO2)N(C)[C@@H]1CC[NH2+]C1 ZINC000071309631 176116826 /nfs/dbraw/zinc/11/68/26/176116826.db2.gz PWSXOEAGZLAJIU-TZMCWYRMSA-N 1 0 276.380 2.203 10 0 CEAERO CN(Cc1noc(-c2ccc(Cl)cc2)n1)[C@H]1CC[NH2+]C1 ZINC000071310714 176117752 /nfs/dbraw/zinc/11/77/52/176117752.db2.gz UADGWVUDLAKEAR-LBPRGKRZSA-N 1 0 292.770 2.184 10 0 CEAERO CN(Cc1nnc(-c2ccccc2Cl)o1)[C@H]1CC[NH2+]C1 ZINC000071310939 176118126 /nfs/dbraw/zinc/11/81/26/176118126.db2.gz WINPPVICXDJFDE-JTQLQIEISA-N 1 0 292.770 2.184 10 0 CEAERO CCN(Cc1ccc2c(c1)OCCCO2)[C@@H]1CC[NH2+]C1 ZINC000071312311 176119405 /nfs/dbraw/zinc/11/94/05/176119405.db2.gz JFFPULVVFOZSCF-CQSZACIVSA-N 1 0 276.380 2.032 10 0 CEAERO CCN(Cc1nnc(-c2cccc(C)c2)o1)[C@H]1CC[NH2+]C1 ZINC000071313207 176119807 /nfs/dbraw/zinc/11/98/07/176119807.db2.gz BUAOOTKJMCIDOJ-AWEZNQCLSA-N 1 0 286.379 2.229 10 0 CEAERO CCN(CC(=O)Nc1ccc(Cl)cc1F)[C@@H]1CC[NH2+]C1 ZINC000071313800 176120694 /nfs/dbraw/zinc/12/06/94/176120694.db2.gz UXNXHKPHUUVQGR-LLVKDONJSA-N 1 0 299.777 2.101 10 0 CEAERO CCCN([C@@H](C)c1c(C)nn(C)c1C)[C@@H]1CC[NH2+]C1 ZINC000071315013 176121651 /nfs/dbraw/zinc/12/16/51/176121651.db2.gz OWUDEWBMYDUTEN-UONOGXRCSA-N 1 0 264.417 2.172 10 0 CEAERO CCc1ccc(C(=O)NC[C@@H]2[NH2+]CCC[C@H]2C)cc1 ZINC000071338685 176129027 /nfs/dbraw/zinc/12/90/27/176129027.db2.gz RWZZJEYNLGGNJM-DOMZBBRYSA-N 1 0 260.381 2.367 10 0 CEAERO C[C@H]1CN[C@@H](C(C)(C)C)C[N@@H+]1CC1CCOCC1 ZINC000071345959 176132171 /nfs/dbraw/zinc/13/21/71/176132171.db2.gz KYRXZFBVTUUVNV-GXTWGEPZSA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@H](C(C)(C)C)CN1CCn1cccn1 ZINC000071348716 176132826 /nfs/dbraw/zinc/13/28/26/176132826.db2.gz KFPKZLVBMRGAMT-HOCLYGCPSA-N 1 0 278.444 2.372 10 0 CEAERO CC(C)C[C@@H]1CN(C[C@@H]2CCCCO2)[C@@H](C)C[NH2+]1 ZINC000071349579 176133567 /nfs/dbraw/zinc/13/35/67/176133567.db2.gz GCYJLTCNXGOZFL-ZNMIVQPWSA-N 1 0 254.418 2.264 10 0 CEAERO C[C@@H]1CCCC[C@H]1[N@H+](C)CCCn1ccc(N)n1 ZINC000071352346 176135205 /nfs/dbraw/zinc/13/52/05/176135205.db2.gz ODFWGGYCZLFLNW-CHWSQXEVSA-N 1 0 250.390 2.366 10 0 CEAERO Nc1ccn(CCC[N@@H+]2CC[C@@H](c3ccccc3)C2)n1 ZINC000071352453 176135264 /nfs/dbraw/zinc/13/52/64/176135264.db2.gz NZJFKKPUMWTXNW-OAHLLOKOSA-N 1 0 270.380 2.345 10 0 CEAERO CC1(C)CN[C@H](Cc2ccccc2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000071353287 176135979 /nfs/dbraw/zinc/13/59/79/176135979.db2.gz WDEXSXLJHWWPSQ-DLBZAZTESA-N 1 0 288.435 2.318 10 0 CEAERO CC[C@@H](C)[C@H]1CN(CCn2ccnc2C)[C@H](C2CC2)C[NH2+]1 ZINC000071355314 176136696 /nfs/dbraw/zinc/13/66/96/176136696.db2.gz ZWHBQPWNOAUGRB-XYPHTWIQSA-N 1 0 290.455 2.290 10 0 CEAERO CC[C@H](C)[C@@H]1CN(CCn2cccn2)[C@H](C(C)C)C[NH2+]1 ZINC000071354828 176136781 /nfs/dbraw/zinc/13/67/81/176136781.db2.gz VYMSJKOTCHWNBF-JYJNAYRXSA-N 1 0 278.444 2.228 10 0 CEAERO CC[C@H](C)[C@H]1C[NH2+][C@@](C)(CC)CN1Cc1ncccn1 ZINC000071357091 176136923 /nfs/dbraw/zinc/13/69/23/176136923.db2.gz RDLLBOBBYFECJM-LZWOXQAQSA-N 1 0 276.428 2.465 10 0 CEAERO CC[C@H](C)[C@H]1CN(CCn2ccnc2C)[C@H](C2CC2)C[NH2+]1 ZINC000071355315 176137007 /nfs/dbraw/zinc/13/70/07/176137007.db2.gz ZWHBQPWNOAUGRB-XKQJLSEDSA-N 1 0 290.455 2.290 10 0 CEAERO CCC(CC)NC(=O)[C@@H](C)NCC[N@H+](C)C1CCCC1 ZINC000071377364 176142376 /nfs/dbraw/zinc/14/23/76/176142376.db2.gz WYOLJGBBANWXQA-CYBMUJFWSA-N 1 0 283.460 2.144 10 0 CEAERO FC(F)(F)C(F)(F)c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000071396657 176150118 /nfs/dbraw/zinc/15/01/18/176150118.db2.gz JWBBTLZWYANWDA-BYPYZUCNSA-N 1 0 257.162 2.148 10 0 CEAERO CCCS(=O)(=O)c1ccccc1N[C@@H]1CCC[NH2+]C1 ZINC000071397778 176151373 /nfs/dbraw/zinc/15/13/73/176151373.db2.gz BTKFURRWVADVKE-GFCCVEGCSA-N 1 0 282.409 2.034 10 0 CEAERO CCOC[C@@H](C)NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000071401291 176153356 /nfs/dbraw/zinc/15/33/56/176153356.db2.gz NQHZXXCUBFMDIA-TZMCWYRMSA-N 1 0 264.369 2.008 10 0 CEAERO CCCCNC(=O)[C@@H](C)Oc1ccc(C)cc1C[NH3+] ZINC000071403378 176154607 /nfs/dbraw/zinc/15/46/07/176154607.db2.gz ATKCVMZWAKZCFR-GFCCVEGCSA-N 1 0 264.369 2.137 10 0 CEAERO Cc1ccc(OCc2ncc(Cl)n2C)c(C[NH3+])c1 ZINC000071403269 176154880 /nfs/dbraw/zinc/15/48/80/176154880.db2.gz YBFXKNMZNJBIIO-UHFFFAOYSA-N 1 0 265.744 2.420 10 0 CEAERO CC[C@@H](C)NC(=O)COc1ccc(C)cc1C[NH2+]C ZINC000071403732 176155216 /nfs/dbraw/zinc/15/52/16/176155216.db2.gz NSMHFNMFTQZLID-GFCCVEGCSA-N 1 0 264.369 2.008 10 0 CEAERO CCC[NH2+]Cc1cc(C)ccc1O[C@@H]1CCOC1=O ZINC000071406294 176155792 /nfs/dbraw/zinc/15/57/92/176155792.db2.gz AZJMLWVUCSFESE-CQSZACIVSA-N 1 0 263.337 2.189 10 0 CEAERO CCCNC(=O)[C@@H](C)Oc1ccc(C)cc1C[C@H](C)[NH3+] ZINC000071411701 176157008 /nfs/dbraw/zinc/15/70/08/176157008.db2.gz POMATQPAORMAEU-QWHCGFSZSA-N 1 0 278.396 2.178 10 0 CEAERO Cc1ccc(O[C@@H](C)C(=O)NC(C)C)c(C[C@H](C)[NH3+])c1 ZINC000071411712 176157141 /nfs/dbraw/zinc/15/71/41/176157141.db2.gz KYHKEUIPICGNBQ-STQMWFEESA-N 1 0 278.396 2.177 10 0 CEAERO CC[C@H]([NH3+])Cc1cc(C)ccc1OCC(=O)N(C)C1CC1 ZINC000071412142 176157502 /nfs/dbraw/zinc/15/75/02/176157502.db2.gz KTULJECXOLUSQU-AWEZNQCLSA-N 1 0 290.407 2.274 10 0 CEAERO CC[C@H](C)NC(=O)COc1ccc(C)cc1C[C@@H](C)[NH3+] ZINC000071411854 176157589 /nfs/dbraw/zinc/15/75/89/176157589.db2.gz HZQXLDZHWLQDSB-OLZOCXBDSA-N 1 0 278.396 2.178 10 0 CEAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000071413005 176158029 /nfs/dbraw/zinc/15/80/29/176158029.db2.gz WAUSXIHYHRUYFV-DVMIWYLISA-N 1 0 291.439 2.252 10 0 CEAERO [NH3+]CCc1nnc(Cc2ccc(Cl)cc2)s1 ZINC000071575102 176202403 /nfs/dbraw/zinc/20/24/03/176202403.db2.gz ZEVABDBYKYWFBN-UHFFFAOYSA-N 1 0 253.758 2.284 10 0 CEAERO CN1CC[NH2+][C@H](c2cc(Br)cs2)C1 ZINC000071587281 176214860 /nfs/dbraw/zinc/21/48/60/176214860.db2.gz QYXIHLCBGGLAJZ-QMMMGPOBSA-N 1 0 261.188 2.087 10 0 CEAERO CCOc1ccc(-c2c[nH]c(CC[NH2+]C)n2)cc1F ZINC000071595340 176218339 /nfs/dbraw/zinc/21/83/39/176218339.db2.gz RCBZHIVHIWZZGI-UHFFFAOYSA-N 1 0 263.316 2.376 10 0 CEAERO CCOc1ccc(CCCN2CC[NH2+]CC2)cc1F ZINC000071598621 176222603 /nfs/dbraw/zinc/22/26/03/176222603.db2.gz NJTYPZBTSIHXEC-UHFFFAOYSA-N 1 0 266.360 2.062 10 0 CEAERO CC[NH+](CC)CCCN(CCC(=O)OC)C(=O)C=C(C)C ZINC000071655874 176242210 /nfs/dbraw/zinc/24/22/10/176242210.db2.gz FDVIHXBZALMWGM-UHFFFAOYSA-N 1 0 298.427 2.076 10 0 CEAERO Clc1cnc(N2CCC[C@H](C3CC[NH2+]CC3)C2)nc1 ZINC000656608576 415785392 /nfs/dbraw/zinc/78/53/92/415785392.db2.gz LFLRUNPYNYXJBO-LBPRGKRZSA-N 1 0 280.803 2.346 10 0 CEAERO CN(CC(C)(C)[NH3+])c1ncccc1Br ZINC000656609936 415785512 /nfs/dbraw/zinc/78/55/12/415785512.db2.gz WSIYHCQOTMBDJC-UHFFFAOYSA-N 1 0 258.163 2.018 10 0 CEAERO Cc1nc(N2CC3CC2(C[NH3+])C3)ccc1Br ZINC000656611561 415787037 /nfs/dbraw/zinc/78/70/37/415787037.db2.gz BJZKVWNJNZTRSY-UHFFFAOYSA-N 1 0 282.185 2.080 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@@H](OC)C1CCC1 ZINC000660108873 415884212 /nfs/dbraw/zinc/88/42/12/415884212.db2.gz HIFDUKMDZZCWBP-BZUAXINKSA-N 1 0 266.429 2.360 10 0 CEAERO CO[C@@H](CNC(=O)C[C@H]([NH3+])C(C)C)C1CCCCC1 ZINC000662732515 415947650 /nfs/dbraw/zinc/94/76/50/415947650.db2.gz CTNRBKCUFIZGQC-KBPBESRZSA-N 1 0 270.417 2.071 10 0 CEAERO COc1ccccc1C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000075700665 176755642 /nfs/dbraw/zinc/75/56/42/176755642.db2.gz RGCVABNTPVZIBJ-CQSZACIVSA-N 1 0 255.317 2.448 10 0 CEAERO CCOc1ccccc1N1C[C@@H](CC[NH2+]C)OC1=O ZINC000076367589 177005492 /nfs/dbraw/zinc/00/54/92/177005492.db2.gz PAHHHPUOPBELLQ-LLVKDONJSA-N 1 0 264.325 2.020 10 0 CEAERO CCc1ccc(OC)c(N(C)C(=O)C[NH2+]C(C)C)c1 ZINC000076369324 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ZINC000076698247 177061573 /nfs/dbraw/zinc/06/15/73/177061573.db2.gz DOKNYLNVXZWKNQ-HOCLYGCPSA-N 1 0 260.381 2.030 10 0 CEAERO C[C@@H]1COC[C@H](C)[N@H+]1CCC(=O)Nc1cccc(F)c1 ZINC000077367832 177258418 /nfs/dbraw/zinc/25/84/18/177258418.db2.gz HXHJEQJTZXXNJI-TXEJJXNPSA-N 1 0 280.343 2.264 10 0 CEAERO CCc1cc(NC(=O)C[NH2+]C(C)C)ccc1OC ZINC000077432146 177268262 /nfs/dbraw/zinc/26/82/62/177268262.db2.gz ICOXUZUXMFUJPG-UHFFFAOYSA-N 1 0 250.342 2.194 10 0 CEAERO COC[C@H]1CC[N@H+](C[C@@H](O)c2cc(C)ccc2C)C1 ZINC000077897545 177308365 /nfs/dbraw/zinc/30/83/65/177308365.db2.gz QCRKWVLQLXOVNS-GOEBONIOSA-N 1 0 263.381 2.305 10 0 CEAERO C[C@H](CC[NH3+])CCC(=O)NC[C@H]1Cc2ccccc21 ZINC000079117905 177436388 /nfs/dbraw/zinc/43/63/88/177436388.db2.gz UKDYKRSSEKVYHB-GXTWGEPZSA-N 1 0 260.381 2.208 10 0 CEAERO CC[C@@H](CC[NH3+])CCc1nc(-c2ccncc2)no1 ZINC000079200216 177444199 /nfs/dbraw/zinc/44/41/99/177444199.db2.gz LVDGRRKJWMIIRY-LLVKDONJSA-N 1 0 260.341 2.439 10 0 CEAERO CC[C@@H](CC[NH3+])CCC(=O)N(CC)[C@H](C)COC ZINC000079210290 177446872 /nfs/dbraw/zinc/44/68/72/177446872.db2.gz LWDABVSIHNDYGL-CHWSQXEVSA-N 1 0 258.406 2.025 10 0 CEAERO CC(C)[C@@H](CC[NH3+])CCC(=O)N(C)Cc1ccncc1 ZINC000079255280 177459300 /nfs/dbraw/zinc/45/93/00/177459300.db2.gz DHWXAXXDIDSJAG-OAHLLOKOSA-N 1 0 277.412 2.441 10 0 CEAERO COCc1ccccc1NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+] ZINC000079526451 177516164 /nfs/dbraw/zinc/51/61/64/177516164.db2.gz GBIGGQNIDGLHEL-PKIAMQTDSA-N 1 0 274.364 2.145 10 0 CEAERO Cc1c[nH+]c(N)n1Cc1ccccc1OC(F)F ZINC000079609947 177523026 /nfs/dbraw/zinc/52/30/26/177523026.db2.gz BYQLURHUYDILKW-UHFFFAOYSA-N 1 0 253.252 2.423 10 0 CEAERO CC[C@H](C)N1CC[NH+]([C@@H]2CC(C)(C)CC[C@@H]2O)CC1 ZINC000079658828 177532164 /nfs/dbraw/zinc/53/21/64/177532164.db2.gz ANFRWMGUUUBTLF-ZNMIVQPWSA-N 1 0 268.445 2.342 10 0 CEAERO C[N@H+](C[C@H]1CC(C)(C)CC[C@@H]1O)C1CCOCC1 ZINC000079674009 177535864 /nfs/dbraw/zinc/53/58/64/177535864.db2.gz XCLZGBNMUWFBNA-OCCSQVGLSA-N 1 0 255.402 2.284 10 0 CEAERO CC1(C)CC[C@H](O)[C@H](C[N@@H+]2CCCC[C@@H]2CCO)C1 ZINC000079673783 177536068 /nfs/dbraw/zinc/53/60/68/177536068.db2.gz FMOZIIHMGKAQKV-ZNMIVQPWSA-N 1 0 269.429 2.411 10 0 CEAERO NC(=[NH2+])C1(NC(=O)Nc2ccccc2)CCCCC1 ZINC000079777927 177557089 /nfs/dbraw/zinc/55/70/89/177557089.db2.gz IMFLWVAHVSODFW-UHFFFAOYSA-N 1 0 260.341 2.447 10 0 CEAERO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCCO[C@H]2C)C1 ZINC000251261665 287344420 /nfs/dbraw/zinc/34/44/20/287344420.db2.gz YZLZZQXBAOGPHN-QLFBSQMISA-N 1 0 296.455 2.428 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000136360997 419443463 /nfs/dbraw/zinc/44/34/63/419443463.db2.gz SCCLXUNPIRZNJP-CYBMUJFWSA-N 1 0 272.352 2.389 10 0 CEAERO CCOc1ccc(NC(=O)C[C@@H]([NH3+])C(C)C)cc1OC ZINC000136345999 419443555 /nfs/dbraw/zinc/44/35/55/419443555.db2.gz MJQYDJAUVSUROO-GFCCVEGCSA-N 1 0 280.368 2.406 10 0 CEAERO COc1ccc(F)cc1[C@H](C)NC(=O)C[C@@H]([NH3+])C(C)C ZINC000136358175 419443718 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ZINC000186795360 270252161 /nfs/dbraw/zinc/25/21/61/270252161.db2.gz PVQSNYRIQVYNKY-LRLQIDNFSA-N 1 0 293.436 2.310 10 0 CEAERO c1c(CN2CC[N@@H+]3CCC[C@@H]3C2)[nH]nc1-c1ccccc1 ZINC000179550890 260055107 /nfs/dbraw/zinc/05/51/07/260055107.db2.gz HPRDTMLSWMTODD-MRXNPFEDSA-N 1 0 282.391 2.357 10 0 CEAERO C[C@H](CC[NH2+][C@H](C)[C@@H]1CCOC1)NC(=O)OC(C)(C)C ZINC000180519193 260104396 /nfs/dbraw/zinc/10/43/96/260104396.db2.gz CFGLDGMRQKEGDH-JHJVBQTASA-N 1 0 286.416 2.304 10 0 CEAERO CO[C@H](C)[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C ZINC000221972365 261350355 /nfs/dbraw/zinc/35/03/55/261350355.db2.gz QKJPLLHQBGYTOU-IJLUTSLNSA-N 1 0 274.405 2.303 10 0 CEAERO C[C@@H]([NH2+]CC(=O)N(C)C)C12CC3CC(CC(C3)C1)C2 ZINC000020039550 262226921 /nfs/dbraw/zinc/22/69/21/262226921.db2.gz LCRQTVJAHXGFNR-UWJCENJNSA-N 1 0 264.413 2.269 10 0 CEAERO Cc1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cn1 ZINC000029954530 270224124 /nfs/dbraw/zinc/22/41/24/270224124.db2.gz WRMVSBPFIIDEHW-INIZCTEOSA-N 1 0 283.375 2.423 10 0 CEAERO CCCCOC[C@@H](O)C[NH2+]CCc1cccc(C)c1 ZINC000227891880 270312135 /nfs/dbraw/zinc/31/21/35/270312135.db2.gz GQNGXBDGVQACOS-INIZCTEOSA-N 1 0 265.397 2.305 10 0 CEAERO COc1cccc([C@@H]2C[C@@H]2C(=O)NC[C@H]2CCC[N@@H+]2C)c1 ZINC000246403826 270327172 /nfs/dbraw/zinc/32/71/72/270327172.db2.gz YCSGWQRORVHHRP-KBMXLJTQSA-N 1 0 288.391 2.009 10 0 CEAERO Cc1nc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)cs1 ZINC000398721232 270362264 /nfs/dbraw/zinc/36/22/64/270362264.db2.gz RXMDKKPRUWBTAM-GMXVVIOVSA-N 1 0 252.383 2.044 10 0 CEAERO C[C@@H]([NH3+])CCNS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000063170881 274236072 /nfs/dbraw/zinc/23/60/72/274236072.db2.gz PYTVDKJMWGDXKR-SSDOTTSWSA-N 1 0 297.207 2.009 10 0 CEAERO C[C@@H]1CN(C(=O)c2cc(Cl)c3ccccc3n2)C[C@@H]1[NH3+] ZINC000335380537 274330492 /nfs/dbraw/zinc/33/04/92/274330492.db2.gz MMRBLAQHZSRQGB-SKDRFNHKSA-N 1 0 289.766 2.307 10 0 CEAERO C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccccc1-n1cccn1 ZINC000177244379 274515475 /nfs/dbraw/zinc/51/54/75/274515475.db2.gz ZSXXBXCDBWVJKG-GWCFXTLKSA-N 1 0 299.296 2.446 10 0 CEAERO C[C@H]1CN(c2ccc(Br)cn2)C[C@H]1[NH+](C)C ZINC000251711331 274592686 /nfs/dbraw/zinc/59/26/86/274592686.db2.gz JKQGYRNKBSOHCB-GXSJLCMTSA-N 1 0 284.201 2.230 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CSc2ccccc21 ZINC000245445231 274955546 /nfs/dbraw/zinc/95/55/46/274955546.db2.gz YRPABYCEBVBKDR-XQQFMLRXSA-N 1 0 276.405 2.262 10 0 CEAERO [NH3+][C@H]1CCCc2cc(Br)ccc2[C@H]1O ZINC000008699469 274962887 /nfs/dbraw/zinc/96/28/87/274962887.db2.gz FSXATJHMTWILTN-WDEREUQCSA-N 1 0 256.143 2.146 10 0 CEAERO c1ccc(C[NH2+]C[C@H]2Cc3ccccc3CN2)cc1 ZINC000022867142 275067246 /nfs/dbraw/zinc/06/72/46/275067246.db2.gz SQEFOVHLFDGELY-QGZVFWFLSA-N 1 0 252.361 2.491 10 0 CEAERO Brc1cncc(N2CCC3(C2)CC[NH2+]CC3)c1 ZINC000335299303 275377355 /nfs/dbraw/zinc/37/73/55/275377355.db2.gz NXADMXXWHOLRBA-UHFFFAOYSA-N 1 0 296.212 2.424 10 0 CEAERO CC(C)n1ccnc1C[N@@H+]1CCC[C@@H]1CCCO ZINC000304260803 276085950 /nfs/dbraw/zinc/08/59/50/276085950.db2.gz BSSIXPVFLHQVHT-CYBMUJFWSA-N 1 0 251.374 2.201 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C[C@@H](O)C1CCCCC1 ZINC000229050663 276169707 /nfs/dbraw/zinc/16/97/07/276169707.db2.gz ZNSXUKPMCQZJLI-HZPDHXFCSA-N 1 0 268.445 2.344 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@]2(C)C(C)C)C1 ZINC000248482328 276178202 /nfs/dbraw/zinc/17/82/02/276178202.db2.gz UAFMJWYOXZNCCI-KCQAQPDRSA-N 1 0 252.402 2.269 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccccc1OC ZINC000177035435 276181831 /nfs/dbraw/zinc/18/18/31/276181831.db2.gz WCZBBHBZELZYPI-ZDUSSCGKSA-N 1 0 276.380 2.252 10 0 CEAERO CCN1CCN(C(=O)C[C@H]2CCC[NH2+]2)c2ccccc21 ZINC000178788659 276189009 /nfs/dbraw/zinc/18/90/09/276189009.db2.gz JHAZXSDIOPDPSX-CYBMUJFWSA-N 1 0 273.380 2.002 10 0 CEAERO CCCCOC[C@H](O)C[NH+]1CCC(C(F)(F)F)CC1 ZINC000193251181 276238528 /nfs/dbraw/zinc/23/85/28/276238528.db2.gz DNVUOHAAAQOGMU-GFCCVEGCSA-N 1 0 283.334 2.438 10 0 CEAERO CCO[C@H]1C[C@H]([N@H+](C)Cc2c(C)nn(C)c2OC)C1(C)C ZINC000093605290 276364691 /nfs/dbraw/zinc/36/46/91/276364691.db2.gz IJPSZWFFCWAUMY-KBPBESRZSA-N 1 0 295.427 2.373 10 0 CEAERO CC[C@@H](O)C[NH+]1CCN(C/C(C)=C\c2ccccc2)CC1 ZINC000255093434 276444842 /nfs/dbraw/zinc/44/48/42/276444842.db2.gz OKMSQYZLKDZUAB-BBLCHGJFSA-N 1 0 288.435 2.478 10 0 CEAERO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C[C@@H]1CN(C)CCO1 ZINC000246363873 276516138 /nfs/dbraw/zinc/51/61/38/276516138.db2.gz ISESSCSCGYRIBJ-KBUPBQIOSA-N 1 0 254.418 2.121 10 0 CEAERO CN1CCO[C@H](C[NH2+][C@@H]2CCCCC23CCCC3)C1 ZINC000311697343 276939958 /nfs/dbraw/zinc/93/99/58/276939958.db2.gz LJUKPUXIBYXZQJ-HUUCEWRRSA-N 1 0 266.429 2.410 10 0 CEAERO CN1CCO[C@@H](C[NH2+][C@H]2CCCc3cc(F)ccc32)C1 ZINC000246032377 277120075 /nfs/dbraw/zinc/12/00/75/277120075.db2.gz MDZOVQWQOVUZQG-HOCLYGCPSA-N 1 0 278.371 2.123 10 0 CEAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H]1Cc1cccs1 ZINC000095752779 277189089 /nfs/dbraw/zinc/18/90/89/277189089.db2.gz YCPMEPDAIMNZFP-NSHDSACASA-N 1 0 282.409 2.500 10 0 CEAERO 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[NH3+]C[C@H]1CN(CCC23CC4CC(CC(C4)C2)C3)CCO1 ZINC000164993759 295276203 /nfs/dbraw/zinc/27/62/03/295276203.db2.gz VEJJYURWYMXTBR-KLZNEWFBSA-N 1 0 278.440 2.252 10 0 CEAERO [NH3+]Cc1cc(Br)nc(Br)c1 ZINC000095763872 295277197 /nfs/dbraw/zinc/27/71/97/295277197.db2.gz GFMSLHDSQFMSOB-UHFFFAOYSA-N 1 0 265.936 2.065 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Br)cc1 ZINC000034284174 295298311 /nfs/dbraw/zinc/29/83/11/295298311.db2.gz FDTVTLRRTCOLPL-NEPJUHHUSA-N 1 0 297.196 2.449 10 0 CEAERO Cc1cccc2[nH]cc(CC(=O)N3CC[C@@H]([NH+](C)C)C3)c21 ZINC000171541714 297479611 /nfs/dbraw/zinc/47/96/11/297479611.db2.gz TXZKKJBGUMLDBU-CQSZACIVSA-N 1 0 285.391 2.181 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000261794116 297800610 /nfs/dbraw/zinc/80/06/10/297800610.db2.gz YCKSREBPHYUJDL-SLBVQIDZSA-N 1 0 288.391 2.102 10 0 CEAERO C[C@H](C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)c1ccccc1 ZINC000124483464 298106800 /nfs/dbraw/zinc/10/68/00/298106800.db2.gz GXOHHWVBHVORRX-OFQRWUPVSA-N 1 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IRGAMXVIDDMNBW-CMPLNLGQSA-N 1 0 253.415 2.238 10 0 CEAERO CCC[C@H](C(=O)Nc1ccc2c(c1)N(C)CC2)[NH+](C)C ZINC000183022269 321706870 /nfs/dbraw/zinc/70/68/70/321706870.db2.gz IFFHDOQTZKFJFH-CQSZACIVSA-N 1 0 275.396 2.348 10 0 CEAERO Cc1ccc(CC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1C ZINC000380722287 321830833 /nfs/dbraw/zinc/83/08/33/321830833.db2.gz JOULWSCUHKQZRB-JYJNAYRXSA-N 1 0 272.392 2.042 10 0 CEAERO CCN1CCC[C@@H]([NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000396410312 329320080 /nfs/dbraw/zinc/32/00/80/329320080.db2.gz FYPQERAYUIQAJQ-OTTFEQOBSA-N 1 0 294.361 2.296 10 0 CEAERO CCN(C(=O)OC(C)(C)C)[C@H]1CO[C@]2(CCC[NH2+]2)C1 ZINC000536956064 330383127 /nfs/dbraw/zinc/38/31/27/330383127.db2.gz UGQWQANPCVMJPS-BXUZGUMPSA-N 1 0 270.373 2.112 10 0 CEAERO CC(C)[NH+](C(C)C)[C@H]1CNC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000536960868 330384278 /nfs/dbraw/zinc/38/42/78/330384278.db2.gz URWZDKIGHAGLMF-UONOGXRCSA-N 1 0 284.444 2.425 10 0 CEAERO CC(C)C[C@H](CN(C)C)[NH2+]C[C@H](O)c1cccs1 ZINC000049555646 519343530 /nfs/dbraw/zinc/34/35/30/519343530.db2.gz PIVAZVCTENNDHV-OLZOCXBDSA-N 1 0 270.442 2.347 10 0 CEAERO CC(C)CC[C@@H](C[NH2+]C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000052951525 519682935 /nfs/dbraw/zinc/68/29/35/519682935.db2.gz PYGYEVCQBGRFMU-QWHCGFSZSA-N 1 0 273.442 2.226 10 0 CEAERO CC(C)[NH2+][C@@H](CC[N@H+](C)[C@H]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000062459702 519734001 /nfs/dbraw/zinc/73/40/01/519734001.db2.gz MDQMMVLHQLPECV-RDBSUJKOSA-N 1 0 270.417 2.338 10 0 CEAERO CC(C)C[NH2+]C[C@@H](C)[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000052967331 519744718 /nfs/dbraw/zinc/74/47/18/519744718.db2.gz DFZPWQBQTAERSS-OCCSQVGLSA-N 1 0 281.421 2.439 10 0 CEAERO CC(C)C[NH2+]C[C@@]1(Cc2cscn2)CCOC1 ZINC000054666168 519745624 /nfs/dbraw/zinc/74/56/24/519745624.db2.gz LMOXMSQVUHFYCC-ZDUSSCGKSA-N 1 0 254.399 2.338 10 0 CEAERO CCC[NH+]1CCC(Nc2ncccc2C(N)=S)CC1 ZINC000049560074 519847586 /nfs/dbraw/zinc/84/75/86/519847586.db2.gz GOWWFCOAADBHQH-UHFFFAOYSA-N 1 0 278.425 2.002 10 0 CEAERO CCCC1CC[NH+](CC[C@@](C)([NH2+]C2CC2)C(=O)[O-])CC1 ZINC000050905715 519901694 /nfs/dbraw/zinc/90/16/94/519901694.db2.gz DPRQTTYDUUWZNY-MRXNPFEDSA-N 1 0 282.428 2.484 10 0 CEAERO CC[NH2+]CCC(=O)N[C@H](C)Cc1c(F)cccc1F ZINC000061293611 519917486 /nfs/dbraw/zinc/91/74/86/519917486.db2.gz YCRSGKMREKPXNS-SNVBAGLBSA-N 1 0 270.323 2.012 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccc(F)cc1OCC ZINC000061233709 519939956 /nfs/dbraw/zinc/93/99/56/519939956.db2.gz XBSLYCXSYQOPSG-SNVBAGLBSA-N 1 0 268.332 2.409 10 0 CEAERO CC[NH2+]C[C@@H](CCS(C)(=O)=O)Cc1cccc(F)c1 ZINC000052977165 519946136 /nfs/dbraw/zinc/94/61/36/519946136.db2.gz KBGDPFUOQUXAGV-ZDUSSCGKSA-N 1 0 287.400 2.029 10 0 CEAERO CC[NH2+]C[C@@H]1CC[C@@H](CN(C)Cc2csc(C)n2)O1 ZINC000052505951 519951549 /nfs/dbraw/zinc/95/15/49/519951549.db2.gz DXOKFDFBHQAHKG-KBPBESRZSA-N 1 0 283.441 2.040 10 0 CEAERO CC[NH2+]C[C@@H]1CC[C@@H](Cn2nc(C)c(CC)c2C)O1 ZINC000052592175 519954139 /nfs/dbraw/zinc/95/41/39/519954139.db2.gz MECVBBLZLJKFRY-KBPBESRZSA-N 1 0 265.401 2.219 10 0 CEAERO CC[NH2+]C[C@H]1CCCN1c1ncnc2sccc21 ZINC000053696634 519975094 /nfs/dbraw/zinc/97/50/94/519975094.db2.gz FMGIGGSWBFGQME-SNVBAGLBSA-N 1 0 262.382 2.270 10 0 CEAERO CCC[NH2+][C@@H](CC[NH+]1CCCCCCC1)C(=O)[O-] ZINC000062438802 519999488 /nfs/dbraw/zinc/99/94/88/519999488.db2.gz VXQGJVYRLBVSAK-ZDUSSCGKSA-N 1 0 256.390 2.095 10 0 CEAERO CCCN[C@@](C[N@H+](C)[C@@H](C)CC)(C(=O)OC)C1CC1 ZINC000069096676 520049278 /nfs/dbraw/zinc/04/92/78/520049278.db2.gz VALSNUWSXPLQDK-SWLSCSKDSA-N 1 0 270.417 2.038 10 0 CEAERO CCCN[C@H](CC[N@H+](C)[C@@H](C)C(C)(C)C)C(=O)OC ZINC000062456760 520071258 /nfs/dbraw/zinc/07/12/58/520071258.db2.gz ONKONTOUQTYGLO-QWHCGFSZSA-N 1 0 272.433 2.284 10 0 CEAERO CCCN[C@H](CC[NH+]1CCC(C)(C)CC1)C(=O)OC ZINC000062533094 520073799 /nfs/dbraw/zinc/07/37/99/520073799.db2.gz FHFOEZNVZQREPA-CYBMUJFWSA-N 1 0 270.417 2.040 10 0 CEAERO CCC[NH2+][C@H](Cc1cccc(Cl)c1)CS(C)(=O)=O ZINC000052789172 520086238 /nfs/dbraw/zinc/08/62/38/520086238.db2.gz IZFSIECCOBVLLC-CYBMUJFWSA-N 1 0 289.828 2.295 10 0 CEAERO CC[NH2+][C@@H](CCOC)c1ccc2c(c1)OCCO2 ZINC000055225881 520090870 /nfs/dbraw/zinc/09/08/70/520090870.db2.gz BFBYQRRKNFXYAI-LBPRGKRZSA-N 1 0 251.326 2.145 10 0 CEAERO CC[NH2+][C@@](C)(C[C@H](C)Oc1cccc(C)c1C)C(N)=O ZINC000068655479 520147441 /nfs/dbraw/zinc/14/74/41/520147441.db2.gz NGZZNLWNRSWKET-LRDDRELGSA-N 1 0 278.396 2.314 10 0 CEAERO CCCCC[N@H+](C)Cc1ccnc(C(N)=S)c1 ZINC000068751933 520153333 /nfs/dbraw/zinc/15/33/33/520153333.db2.gz JCCZESVSCBTYFR-UHFFFAOYSA-N 1 0 251.399 2.338 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(F)cc1O[C@@H](C)C(=O)N(C)C ZINC000062747003 520177672 /nfs/dbraw/zinc/17/76/72/520177672.db2.gz SGNDISJUHYBQAR-MNOVXSKESA-N 1 0 282.359 2.352 10 0 CEAERO CC[NH2+][C@H](CCCS(C)(=O)=O)Cc1ccccc1 ZINC000063016885 520184707 /nfs/dbraw/zinc/18/47/07/520184707.db2.gz XHWLZBIWJNGDGD-CQSZACIVSA-N 1 0 269.410 2.032 10 0 CEAERO CCN[C@H](CC[N@@H+]1CCC[C@@H]1C1CCCC1)C(=O)OC ZINC000062461045 520188306 /nfs/dbraw/zinc/18/83/06/520188306.db2.gz FBRLAOZNPOLFMG-HUUCEWRRSA-N 1 0 282.428 2.182 10 0 CEAERO CCCCN(C1CC1)S(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000048994492 520437707 /nfs/dbraw/zinc/43/77/07/520437707.db2.gz LROIYHQGIVJXRC-UHFFFAOYSA-N 1 0 296.436 2.240 10 0 CEAERO CCOc1ccc(OCC)c(NC(=O)C(C)(C)[NH2+]C)c1 ZINC000061300102 521165477 /nfs/dbraw/zinc/16/54/77/521165477.db2.gz STWIUTOZFKVNML-UHFFFAOYSA-N 1 0 280.368 2.421 10 0 CEAERO CCOC(=O)[C@H](CC[N@H+](CC(C)C)C1CC1)NC(C)C ZINC000062461116 521241592 /nfs/dbraw/zinc/24/15/92/521241592.db2.gz TZXCHXTWFWOCIO-HNNXBMFYSA-N 1 0 284.444 2.427 10 0 CEAERO CCC[C@]1(C(=O)N2CCC[C@H](C)C2)CCC[NH2+]C1 ZINC000062851792 521298451 /nfs/dbraw/zinc/29/84/51/521298451.db2.gz GNHXSLZBDKYNIL-ZFWWWQNUSA-N 1 0 252.402 2.415 10 0 CEAERO CC[N@@H+](Cc1cc(N)cc2c1OCOC2)CC1CC1 ZINC000069236859 521292388 /nfs/dbraw/zinc/29/23/88/521292388.db2.gz IQHRQBNKYUISQZ-UHFFFAOYSA-N 1 0 262.353 2.367 10 0 CEAERO CCC(CC)(C[NH3+])N(C)S(=O)(=O)c1cccc(C)c1 ZINC000050093655 521425599 /nfs/dbraw/zinc/42/55/99/521425599.db2.gz UIUKYAAZEIZUNV-UHFFFAOYSA-N 1 0 284.425 2.133 10 0 CEAERO CCCc1nc(N2CCC(OC)CC2)sc1C[NH3+] ZINC000054997119 521531029 /nfs/dbraw/zinc/53/10/29/521531029.db2.gz DDCATHCDYXOENY-UHFFFAOYSA-N 1 0 269.414 2.170 10 0 CEAERO CCC(CC)NC(=O)[C@H](C)OCC[C@@H]1CCCC[NH2+]1 ZINC000051861895 521592129 /nfs/dbraw/zinc/59/21/29/521592129.db2.gz JZKLKSKBVDGEIM-JSGCOSHPSA-N 1 0 270.417 2.229 10 0 CEAERO CCC[N@H+](CC[C@@H](NC(C)C)C(=O)OCC)CC1CC1 ZINC000062459993 521670607 /nfs/dbraw/zinc/67/06/07/521670607.db2.gz ORRQQOJSDYQWIL-OAHLLOKOSA-N 1 0 284.444 2.428 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N(Cc1ccco1)CC(F)(F)F ZINC000061316925 521932951 /nfs/dbraw/zinc/93/29/51/521932951.db2.gz ZASXGGMPCCQAEL-UHFFFAOYSA-N 1 0 278.274 2.169 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N[C@@H]1CCSc2ccccc21 ZINC000061300632 521939102 /nfs/dbraw/zinc/93/91/02/521939102.db2.gz YJNCGHDPANLIOF-LLVKDONJSA-N 1 0 264.394 2.338 10 0 CEAERO C[NH2+]C[C@H](OCCCOC)c1ccccc1OC ZINC000050486693 522075525 /nfs/dbraw/zinc/07/55/25/522075525.db2.gz QZTVKRCSVHMVPL-AWEZNQCLSA-N 1 0 253.342 2.009 10 0 CEAERO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc(F)cc1OC ZINC000049569915 522369887 /nfs/dbraw/zinc/36/98/87/522369887.db2.gz ARCOIMJARHYGOQ-PELKAZGASA-N 1 0 254.305 2.146 10 0 CEAERO CCc1nc(N2CCOC[C@@H]2CC)sc1C[NH2+]C ZINC000054997924 522388110 /nfs/dbraw/zinc/38/81/10/522388110.db2.gz MFUHAYPIEHVIBG-JTQLQIEISA-N 1 0 269.414 2.040 10 0 CEAERO CCc1nc(N2CCN(C)CC2)sc1C[NH2+]CC(C)C ZINC000054995381 522386232 /nfs/dbraw/zinc/38/62/32/522386232.db2.gz VALZQVPBOMFDJH-UHFFFAOYSA-N 1 0 296.484 2.203 10 0 CEAERO C[NH2+][C@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000052395839 522437031 /nfs/dbraw/zinc/43/70/31/522437031.db2.gz UVVHLXZQUQXDDK-NWDGAFQWSA-N 1 0 260.381 2.351 10 0 CEAERO C[NH2+][C@H](CCCOC)c1ccc(OC)c(OC)c1 ZINC000053789132 522458703 /nfs/dbraw/zinc/45/87/03/522458703.db2.gz BTYWDVBQOXONRZ-GFCCVEGCSA-N 1 0 253.342 2.391 10 0 CEAERO C[NH2+][C@H]1CCN(c2cc(C(F)(F)F)ccc2F)C1=O ZINC000062657146 522502280 /nfs/dbraw/zinc/50/22/80/522502280.db2.gz SXVYKINBVZHOBS-VIFPVBQESA-N 1 0 276.233 2.169 10 0 CEAERO CC[NH2+][C@@H](Cc1ccn(C(CC)CC)n1)[C@@H]1COCCO1 ZINC000087858054 517670369 /nfs/dbraw/zinc/67/03/69/517670369.db2.gz LSQRFMSXSWTHMK-HOTGVXAUSA-N 1 0 295.427 2.180 10 0 CEAERO CCn1nc(C)c(Cl)c1C[C@@H]([NH2+]C)[C@H]1CCCO1 ZINC000089297850 517885266 /nfs/dbraw/zinc/88/52/66/517885266.db2.gz NSOFGVRZAYGTGA-ZYHUDNBSSA-N 1 0 271.792 2.174 10 0 CEAERO C[C@H](C[NH2+]C1CCCC1)Oc1ccc(S(C)(=O)=O)cc1 ZINC000053589135 518182237 /nfs/dbraw/zinc/18/22/37/518182237.db2.gz YGOLNCRYZJSIBE-GFCCVEGCSA-N 1 0 297.420 2.390 10 0 CEAERO C/C=C/COc1c(C[NH2+]CCOC)cccc1OC ZINC000062732388 518517900 /nfs/dbraw/zinc/51/79/00/518517900.db2.gz LJKMKLMZXKJWTE-SNAWJCMRSA-N 1 0 265.353 2.386 10 0 CEAERO CC(C)(C)[NH2+]Cc1c(-n2cccn2)nc2ccccn21 ZINC000062738500 518762905 /nfs/dbraw/zinc/76/29/05/518762905.db2.gz DCLBMYFZURPBTE-UHFFFAOYSA-N 1 0 269.352 2.408 10 0 CEAERO CC(C)(C)[NH2+]Cc1ccc(O[C@@H]2CCOC2=O)cc1 ZINC000062728790 518764923 /nfs/dbraw/zinc/76/49/23/518764923.db2.gz JEGXIBGYQHHIST-CYBMUJFWSA-N 1 0 263.337 2.269 10 0 CEAERO CC(C)(C)[NH2+]Cc1nc(-n2cncn2)ccc1Cl ZINC000051489593 518768136 /nfs/dbraw/zinc/76/81/36/518768136.db2.gz YIFSQLCIEQSUDO-UHFFFAOYSA-N 1 0 265.748 2.204 10 0 CEAERO CC(C)(C)[C@@H]1CN(Cc2cn3ccccc3n2)CC[NH2+]1 ZINC000068692804 518946061 /nfs/dbraw/zinc/94/60/61/518946061.db2.gz PXVWVIHVHOWCJP-AWEZNQCLSA-N 1 0 272.396 2.154 10 0 CEAERO O[C@@H](CNc1ccc2ccccc2n1)C[NH+]1CCCCC1 ZINC000174684367 534403227 /nfs/dbraw/zinc/40/32/27/534403227.db2.gz CAADNQMEPIHRHM-HNNXBMFYSA-N 1 0 285.391 2.494 10 0 CEAERO CC(C)(C)n1ccnc(NCC[NH+]2CCCCCC2)c1=O ZINC000061764464 519166738 /nfs/dbraw/zinc/16/67/38/519166738.db2.gz IAILNHFRUKWSJG-UHFFFAOYSA-N 1 0 292.427 2.286 10 0 CEAERO CC(C)C[C@@H]([NH3+])C(=O)Nc1ccccc1[C@H](C)O ZINC000049547311 519225425 /nfs/dbraw/zinc/22/54/25/519225425.db2.gz PXKMUQFZQUUPNF-CMPLNLGQSA-N 1 0 250.342 2.052 10 0 CEAERO CC(C)C[C@H]1CNC(C)(C)C[N@@H+]1C[C@@H]1CCCO1 ZINC000062625510 519415269 /nfs/dbraw/zinc/41/52/69/519415269.db2.gz AQDPZIQYPHDGTH-KBPBESRZSA-N 1 0 254.418 2.264 10 0 CEAERO CC(C)Cc1ccc([C@@H]([NH3+])Cn2ncccc2=O)cc1 ZINC000061402867 519445510 /nfs/dbraw/zinc/44/55/10/519445510.db2.gz QJDZQWHKXINOSH-HNNXBMFYSA-N 1 0 271.364 2.142 10 0 CEAERO CC(C)Cn1ccnc(NC[C@@H](C)C[NH+]2CCCC2)c1=O ZINC000062075523 519518962 /nfs/dbraw/zinc/51/89/62/519518962.db2.gz GWUQZAMNUBOKOD-CQSZACIVSA-N 1 0 292.427 2.043 10 0 CEAERO CC(C)CCC[C@H](C)NS(=O)(=O)C[C@H]1CCCC[NH2+]1 ZINC000049631411 519648127 /nfs/dbraw/zinc/64/81/27/519648127.db2.gz ZAKXJVALUPTTMR-UONOGXRCSA-N 1 0 290.473 2.263 10 0 CEAERO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)C1C[NH2+]C1 ZINC000163829415 519657490 /nfs/dbraw/zinc/65/74/90/519657490.db2.gz QDGKZNOSTKAXGJ-CYBMUJFWSA-N 1 0 260.381 2.279 10 0 CEAERO CC(C)CN(CC(C)C)S(=O)(=O)C[C@@H]1CCCC[NH2+]1 ZINC000049631250 519713310 /nfs/dbraw/zinc/71/33/10/519713310.db2.gz LGAGZMWDXDDYCA-AWEZNQCLSA-N 1 0 290.473 2.072 10 0 CEAERO CC(C)[NH2+]C[C@H](C)COc1cccc(S(C)(=O)=O)c1 ZINC000052701482 519724918 /nfs/dbraw/zinc/72/49/18/519724918.db2.gz RNCBUKRLWCVEOX-LBPRGKRZSA-N 1 0 285.409 2.103 10 0 CEAERO CC(C)[NH2+]C[C@H]1CC[C@@H](Cn2ccc(C(F)(F)F)n2)O1 ZINC000052592663 519725578 /nfs/dbraw/zinc/72/55/78/519725578.db2.gz NRROJBSYDOQPPX-MNOVXSKESA-N 1 0 291.317 2.448 10 0 CEAERO CC(C)[NH2+]Cc1ccc(-n2ccc(C3CC3)n2)nn1 ZINC000052885259 519726776 /nfs/dbraw/zinc/72/67/76/519726776.db2.gz KGLLJRSFDQEVBD-UHFFFAOYSA-N 1 0 257.341 2.038 10 0 CEAERO CC(C)[NH2+]Cc1ccccc1CN1CCO[C@@H](C)C1 ZINC000052382737 519727730 /nfs/dbraw/zinc/72/77/30/519727730.db2.gz IZGIBLDTKWTENK-AWEZNQCLSA-N 1 0 262.397 2.405 10 0 CEAERO CC(C)C[NH+]1CCN(c2ccc(F)cc2N)CC1 ZINC000055085589 519728524 /nfs/dbraw/zinc/72/85/24/519728524.db2.gz DMTSURNNECVKSN-UHFFFAOYSA-N 1 0 251.349 2.186 10 0 CEAERO CC(C)[NH2+]Cc1nc(CN2CCO[C@@H]3CCC[C@@H]32)cs1 ZINC000052540078 519729319 /nfs/dbraw/zinc/72/93/19/519729319.db2.gz IINKDDZVAULPKB-UONOGXRCSA-N 1 0 295.452 2.394 10 0 CEAERO CC(C)N[C@@H](CC[NH+]1CCC2(CCCCC2)CC1)C(N)=O ZINC000062532833 519734154 /nfs/dbraw/zinc/73/41/54/519734154.db2.gz WAPPUBQYRQUKMR-HNNXBMFYSA-N 1 0 295.471 2.275 10 0 CEAERO CC(C)[NH2+][C@H](CCSc1nc2ccccc2o1)C(N)=O ZINC000062599956 519738502 /nfs/dbraw/zinc/73/85/02/519738502.db2.gz NPOJTXANGBNIAM-LLVKDONJSA-N 1 0 293.392 2.162 10 0 CEAERO CC(C)N[C@](C)(C[C@@H](C)[N@@H+]1CCCC(C)(C)C1)C(N)=O ZINC000068647853 519739572 /nfs/dbraw/zinc/73/95/72/519739572.db2.gz TXRZKQPRQQIICA-CZUORRHYSA-N 1 0 283.460 2.129 10 0 CEAERO CC(C)C[NH2+]CC1(CN2C[C@@H](C)O[C@H](C)C2)CCOCC1 ZINC000052180777 519742923 /nfs/dbraw/zinc/74/29/23/519742923.db2.gz LMLICLZZXWNIQU-HZPDHXFCSA-N 1 0 298.471 2.138 10 0 CEAERO CC(C)C[NH2+]CC1(CN2C[C@H](C)O[C@@H](C)C2)CCOCC1 ZINC000052180776 519743053 /nfs/dbraw/zinc/74/30/53/519743053.db2.gz LMLICLZZXWNIQU-HOTGVXAUSA-N 1 0 298.471 2.138 10 0 CEAERO CC(C)C[NH2+]CCCN1CCO[C@H]2CCCC[C@@H]21 ZINC000052573082 519743669 /nfs/dbraw/zinc/74/36/69/519743669.db2.gz APRCERRVTVEKLJ-GJZGRUSLSA-N 1 0 254.418 2.266 10 0 CEAERO CC(C)C[NH2+]C[C@H]1CC[C@H](CN(C)Cc2cscn2)O1 ZINC000052503892 519746416 /nfs/dbraw/zinc/74/64/16/519746416.db2.gz LCKSZKDQSZKHIM-HUUCEWRRSA-N 1 0 297.468 2.368 10 0 CEAERO CC(C)C[NH2+]Cc1c(-n2ccnc2)nc2sccn12 ZINC000062738558 519746688 /nfs/dbraw/zinc/74/66/88/519746688.db2.gz SKOIUQCGYZBOMP-UHFFFAOYSA-N 1 0 275.381 2.327 10 0 CEAERO CC(C)C[NH2+]Cc1ccccc1N1CCC[C@@H]1CO ZINC000062736797 519747731 /nfs/dbraw/zinc/74/77/31/519747731.db2.gz OKUZOFDOJGDXOM-OAHLLOKOSA-N 1 0 262.397 2.393 10 0 CEAERO CC(C)OCCC[NH2+]CCN1CCc2ccccc2C1 ZINC000053343321 519764394 /nfs/dbraw/zinc/76/43/94/519764394.db2.gz KYFRQUFQPDQJNJ-UHFFFAOYSA-N 1 0 276.424 2.449 10 0 CEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc(O)cc1 ZINC000049560333 519775803 /nfs/dbraw/zinc/77/58/03/519775803.db2.gz VYHDNZGJFRDAQE-ZDUSSCGKSA-N 1 0 264.369 2.098 10 0 CEAERO CC(C)Oc1cccc(C(=O)N(CC[NH3+])C(C)C)c1 ZINC000061665807 519782183 /nfs/dbraw/zinc/78/21/83/519782183.db2.gz DBTWZCOSGJSJDB-UHFFFAOYSA-N 1 0 264.369 2.283 10 0 CEAERO CC(C)[C@H](C)NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000156578748 519812895 /nfs/dbraw/zinc/81/28/95/519812895.db2.gz ARMHSXRINQFSRS-AGIUHOORSA-N 1 0 255.406 2.059 10 0 CEAERO CC(C)[C@H](C)[NH2+]CCn1c(=O)cnc2ccccc21 ZINC000053523739 519813061 /nfs/dbraw/zinc/81/30/61/519813061.db2.gz MSGKGKRZPVMWRX-LBPRGKRZSA-N 1 0 259.353 2.031 10 0 CEAERO CC(C)[C@H]1CN(Cc2cn3ccccc3n2)[C@@H](C)C[NH2+]1 ZINC000068694975 519826828 /nfs/dbraw/zinc/82/68/28/519826828.db2.gz RLLXJFWGQWXCGV-DZGCQCFKSA-N 1 0 272.396 2.153 10 0 CEAERO CC(C)c1ccc(C[C@@H](C[NH3+])[C@H]2CCS(=O)(=O)C2)cc1 ZINC000052946410 519836471 /nfs/dbraw/zinc/83/64/71/519836471.db2.gz SNUUTQFELQYKKE-HOTGVXAUSA-N 1 0 295.448 2.362 10 0 CEAERO CCC1CCC([N@H+](C)C[C@](N)(C(=O)OC)C2CC2)CC1 ZINC000069183670 519853190 /nfs/dbraw/zinc/85/31/90/519853190.db2.gz NDGHLWLJWKOFEU-LDZOIKDWSA-N 1 0 282.428 2.168 10 0 CEAERO 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CC[NH2+]Cc1sc(N2C[C@@H](C)OC[C@@H]2C)nc1CC ZINC000054997281 520034444 /nfs/dbraw/zinc/03/44/44/520034444.db2.gz CDBUXULTZZNFOE-WDEREUQCSA-N 1 0 283.441 2.429 10 0 CEAERO CCCN[C@@](C)(C[N@H+](CC)CC1CC1)C(=O)OCC ZINC000069239617 520036419 /nfs/dbraw/zinc/03/64/19/520036419.db2.gz PNTIKLICQZVYDO-HNNXBMFYSA-N 1 0 270.417 2.040 10 0 CEAERO CCCN[C@@](C[N@H+](C)CC(C)C)(C(=O)OCC)C1CC1 ZINC000069096600 520046273 /nfs/dbraw/zinc/04/62/73/520046273.db2.gz NLAPAWZDVPCJER-MRXNPFEDSA-N 1 0 284.444 2.286 10 0 CEAERO CCC[NH2+][C@@](CSCc1ccco1)(C(N)=O)C1CC1 ZINC000069184302 520058203 /nfs/dbraw/zinc/05/82/03/520058203.db2.gz QBTIHHRMWMYAEZ-CQSZACIVSA-N 1 0 282.409 2.147 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N(CC)Cc1ccc(OC)cc1 ZINC000061272407 520059989 /nfs/dbraw/zinc/05/99/89/520059989.db2.gz RWKOKWSYYKXCIC-ZDUSSCGKSA-N 1 0 278.396 2.432 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N1CCN(c2ccccc2C)CC1 ZINC000061273949 520061594 /nfs/dbraw/zinc/06/15/94/520061594.db2.gz ODOVLYVOYGAHBK-HNNXBMFYSA-N 1 0 289.423 2.032 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CC[NH+](CC)CCNC(=O)c1cc(F)c(NC)c(F)c1 ZINC000063004719 520682493 /nfs/dbraw/zinc/68/24/93/520682493.db2.gz MZSBFGVAVJVIMC-UHFFFAOYSA-N 1 0 285.338 2.078 10 0 CEAERO CCOC(=O)CC[NH2+][C@@H](C)Cc1ccccc1OC ZINC000045688171 520688985 /nfs/dbraw/zinc/68/89/85/520688985.db2.gz WHHARCZYUCLPLF-LBPRGKRZSA-N 1 0 265.353 2.169 10 0 CEAERO CCOc1cc(C[NH3+])ccc1Oc1ccnc(N(C)C)n1 ZINC000068690215 520695508 /nfs/dbraw/zinc/69/55/08/520695508.db2.gz DPORFVWHZVVMEY-UHFFFAOYSA-N 1 0 288.351 2.192 10 0 CEAERO CC[NH+](CC)CCc1nc(N)cc(C(C)(C)C)n1 ZINC000050845930 520711563 /nfs/dbraw/zinc/71/15/63/520711563.db2.gz SWZGQTUNBMHWQZ-UHFFFAOYSA-N 1 0 250.390 2.241 10 0 CEAERO CCOC(=O)CC[C@H]([NH3+])Cc1ccc(O)c(Cl)c1 ZINC000069605907 520714156 /nfs/dbraw/zinc/71/41/56/520714156.db2.gz MJHVKCMUIDWGTD-JTQLQIEISA-N 1 0 271.744 2.259 10 0 CEAERO CCCCOCCOC[C@H]1CC[C@@H](C[NH2+]C2CC2)O1 ZINC000052629041 520791055 /nfs/dbraw/zinc/79/10/55/520791055.db2.gz VXIZXTIWTGXYRK-LSDHHAIUSA-N 1 0 271.401 2.119 10 0 CEAERO CCOC(=O)COc1cc(F)ccc1[C@H](C)[NH2+]C ZINC000062746433 520800515 /nfs/dbraw/zinc/80/05/15/520800515.db2.gz LAYDUGHNISERCA-VIFPVBQESA-N 1 0 255.289 2.048 10 0 CEAERO CCC[C@@](C)(C[NH2+]CCOC)Cc1cnn(CC)c1 ZINC000054657518 520910623 /nfs/dbraw/zinc/91/06/23/520910623.db2.gz NNJGQCNQRJKYFY-OAHLLOKOSA-N 1 0 267.417 2.488 10 0 CEAERO CCN(CC)c1ccc(NC(=O)C(C)(C)[NH2+]C)cc1 ZINC000061300725 520913606 /nfs/dbraw/zinc/91/36/06/520913606.db2.gz RSWMZRIIZRWENE-UHFFFAOYSA-N 1 0 263.385 2.469 10 0 CEAERO CC[N@H+](CC1CC1)[C@@H](C)C(=O)Nc1cccc(N)c1 ZINC000069236857 520965237 /nfs/dbraw/zinc/96/52/37/520965237.db2.gz ZSIXXLDLAYVKIC-NSHDSACASA-N 1 0 261.369 2.328 10 0 CEAERO CC[N@H+](CCCCC(N)=S)Cc1ccncc1 ZINC000049582807 521000787 /nfs/dbraw/zinc/00/07/87/521000787.db2.gz GOXPGEWWQJPYOB-UHFFFAOYSA-N 1 0 251.399 2.360 10 0 CEAERO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+]C(C1CC1)C1CC1 ZINC000049234978 521049111 /nfs/dbraw/zinc/04/91/11/521049111.db2.gz YSOWLOLJQHTQFN-WDEREUQCSA-N 1 0 252.402 2.458 10 0 CEAERO CCC[C@H](C[NH2+]CC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000052952189 521101728 /nfs/dbraw/zinc/10/17/28/521101728.db2.gz KYADSQZXWOKTPR-OLZOCXBDSA-N 1 0 261.431 2.083 10 0 CEAERO CCN(CCOC)c1nc(C(C)(C)C)c(C[NH3+])s1 ZINC000055000718 521140664 /nfs/dbraw/zinc/14/06/64/521140664.db2.gz ZBEFXQYIIZBGLP-UHFFFAOYSA-N 1 0 271.430 2.372 10 0 CEAERO CCOC(=O)[C@@](C)(CCC[N@@H+]1CCCC(C)(C)C1)NC ZINC000069516540 521144480 /nfs/dbraw/zinc/14/44/80/521144480.db2.gz DPLKYPBWOXNCAL-MRXNPFEDSA-N 1 0 284.444 2.430 10 0 CEAERO CCOC(=O)[C@@](C[N@H+](C)CCC(C)C)(NC1CC1)C1CC1 ZINC000069183736 521164687 /nfs/dbraw/zinc/16/46/87/521164687.db2.gz SNZYBXXMNQQMQA-KRWDZBQOSA-N 1 0 296.455 2.428 10 0 CEAERO CCOC(=O)[C@@](C[N@H+](C)CC1CCC1)(NC(C)C)C1CC1 ZINC000069231907 521164846 /nfs/dbraw/zinc/16/48/46/521164846.db2.gz CPDFQRWTSBQRKJ-KRWDZBQOSA-N 1 0 296.455 2.428 10 0 CEAERO CCOC(=O)[C@@](C[NH+]1CCC(CC)CC1)(NC)C1CC1 ZINC000069183861 521166592 /nfs/dbraw/zinc/16/65/92/521166592.db2.gz ZZBAIJDNTJFLPJ-INIZCTEOSA-N 1 0 282.428 2.040 10 0 CEAERO CCN(C[C@@H](C)C[NH3+])C(=O)C1(c2ccccc2)CC1 ZINC000061617531 521199847 /nfs/dbraw/zinc/19/98/47/521199847.db2.gz ISNRHUNGOSKTDL-ZDUSSCGKSA-N 1 0 260.381 2.162 10 0 CEAERO CCN(C[C@H](C)C[NH3+])C(=O)c1cccc2cccnc21 ZINC000061410484 521248896 /nfs/dbraw/zinc/24/88/96/521248896.db2.gz WBSMPYPNWHQUFA-GFCCVEGCSA-N 1 0 271.364 2.292 10 0 CEAERO CCOC(=O)[C@H](N)CC[N@H+](CC)CC(CC)CC ZINC000062461805 521255737 /nfs/dbraw/zinc/25/57/37/521255737.db2.gz VYWQEZDSDXLCJD-CYBMUJFWSA-N 1 0 258.406 2.025 10 0 CEAERO CCCC[C@](CC)(C[NH3+])N1CCN(CC(F)(F)F)CC1 ZINC000069379575 521255995 /nfs/dbraw/zinc/25/59/95/521255995.db2.gz NAJGTRIPGXBPJW-CYBMUJFWSA-N 1 0 295.393 2.464 10 0 CEAERO CCOc1ccc([C@H](O)C[NH+](C)C)cc1OCC ZINC000062359393 521263863 /nfs/dbraw/zinc/26/38/63/521263863.db2.gz LMVJPZHEHXNMRW-GFCCVEGCSA-N 1 0 253.342 2.079 10 0 CEAERO CC[N@H+](C[C@](NC1CC1)(C(N)=O)C1CC1)C1CCCCC1 ZINC000069091368 521275931 /nfs/dbraw/zinc/27/59/31/521275931.db2.gz ASCVCAZTPWMAAW-QGZVFWFLSA-N 1 0 293.455 2.027 10 0 CEAERO CC[N@@H+](Cc1cc(F)ccc1C(N)=S)C[C@H]1CCCO1 ZINC000069402771 521292513 /nfs/dbraw/zinc/29/25/13/521292513.db2.gz MOTSMVGSCSQBRE-CYBMUJFWSA-N 1 0 296.411 2.461 10 0 CEAERO CCC(C)(C)[N@H+](C)C[C@@](NC(C)C)(C(=O)OC)C1CC1 ZINC000069446844 521304920 /nfs/dbraw/zinc/30/49/20/521304920.db2.gz KOPPCEKHYWDGFD-INIZCTEOSA-N 1 0 284.444 2.427 10 0 CEAERO CCN(Cc1ccc(F)c(F)c1)C(=O)CC[C@@H](C)[NH3+] ZINC000070316786 521314729 /nfs/dbraw/zinc/31/47/29/521314729.db2.gz KOVFKQPRXRFXNA-SNVBAGLBSA-N 1 0 270.323 2.441 10 0 CEAERO CCOC(=O)[C@](C)([NH3+])C[C@H](C)n1ccc(C(F)(F)F)n1 ZINC000068649336 521330485 /nfs/dbraw/zinc/33/04/85/521330485.db2.gz MFXAZLIRZZPSJI-GZMMTYOYSA-N 1 0 293.289 2.134 10 0 CEAERO CCOc1cccc(C[NH2+]CC(C)C)c1O[C@H](C)C(N)=O ZINC000062732728 521361664 /nfs/dbraw/zinc/36/16/64/521361664.db2.gz MNDZRTYXRNLCGF-GFCCVEGCSA-N 1 0 294.395 2.084 10 0 CEAERO CCOc1cccc(C[C@@H]([NH3+])CC)c1O[C@@H](CC)C(N)=O ZINC000061678431 521379751 /nfs/dbraw/zinc/37/97/51/521379751.db2.gz HOZLJKYFWLONOQ-STQMWFEESA-N 1 0 294.395 2.008 10 0 CEAERO CCCc1ccc(OC[C@@]([NH2+]CC)(C(N)=O)C2CC2)cc1 ZINC000069198556 521404547 /nfs/dbraw/zinc/40/45/47/521404547.db2.gz MBRCJNFZWNLGBU-KRWDZBQOSA-N 1 0 290.407 2.262 10 0 CEAERO CCN(Cc1cccs1)C(=O)c1ccc(NN)[nH+]c1 ZINC000051119088 521407737 /nfs/dbraw/zinc/40/77/37/521407737.db2.gz IZDOQISTGVOYLF-UHFFFAOYSA-N 1 0 276.365 2.091 10 0 CEAERO CCC(CC)(CO)CN1CC[NH+](CC(C)C)CC1 ZINC000055082264 521445933 /nfs/dbraw/zinc/44/59/33/521445933.db2.gz XOXYDGHDAAAOJD-UHFFFAOYSA-N 1 0 256.434 2.059 10 0 CEAERO CCOc1ccccc1C(=O)N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000051358967 521454681 /nfs/dbraw/zinc/45/46/81/521454681.db2.gz XPDHKHXKOZGKJE-GJZGRUSLSA-N 1 0 288.391 2.442 10 0 CEAERO CCC(CC)(c1nnc(CC[NH3+])[nH]1)c1ccccc1 ZINC000062784180 521479497 /nfs/dbraw/zinc/47/94/97/521479497.db2.gz XACKYFNTZBGKRW-UHFFFAOYSA-N 1 0 258.369 2.412 10 0 CEAERO CCCc1nc(C)c(CCC[NH2+]CCOC)c(C)n1 ZINC000054837944 521494834 /nfs/dbraw/zinc/49/48/34/521494834.db2.gz UZIQTTMBVFAICM-UHFFFAOYSA-N 1 0 265.401 2.215 10 0 CEAERO CCN(c1nc(C)c([C@@H](C)[NH3+])s1)[C@@H](C)COC ZINC000054896658 521503410 /nfs/dbraw/zinc/50/34/10/521503410.db2.gz YWUUEPFFXHSZAN-DTWKUNHWSA-N 1 0 257.403 2.332 10 0 CEAERO CCCc1nc(N2CCC(C[NH+](C)C)CC2)sc1CO ZINC000055004048 521530412 /nfs/dbraw/zinc/53/04/12/521530412.db2.gz LYRMIMJMOVXUSB-UHFFFAOYSA-N 1 0 297.468 2.366 10 0 CEAERO CCCc1nc(N2CCC([NH+](C)C)CC2)sc1CO ZINC000055003358 521531216 /nfs/dbraw/zinc/53/12/16/521531216.db2.gz KGCZVKPVZAOISD-UHFFFAOYSA-N 1 0 283.441 2.118 10 0 CEAERO CCCN(CC(=O)N(C)C)c1cc(Cl)ccc1C[NH3+] ZINC000062786952 521531884 /nfs/dbraw/zinc/53/18/84/521531884.db2.gz FBFOSEQQQKTHGY-UHFFFAOYSA-N 1 0 283.803 2.103 10 0 CEAERO CCOc1ccccc1OCCCC[C@@](C)([NH2+]C)C(N)=O ZINC000045511724 521563665 /nfs/dbraw/zinc/56/36/65/521563665.db2.gz OKLPADYDOSFRJJ-MRXNPFEDSA-N 1 0 294.395 2.098 10 0 CEAERO CCOc1ccccc1[C@](O)([C@H](C)[NH3+])C(F)(F)F ZINC000062784688 521592023 /nfs/dbraw/zinc/59/20/23/521592023.db2.gz KOZTTWWKRXAVOS-GZMMTYOYSA-N 1 0 263.259 2.182 10 0 CEAERO CCOc1ncccc1NC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000061611732 521625375 /nfs/dbraw/zinc/62/53/75/521625375.db2.gz NKFYCFIUDHVDJD-CYBMUJFWSA-N 1 0 285.347 2.161 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2cc(Cl)nc(C)n2)C1 ZINC000052836723 521625442 /nfs/dbraw/zinc/62/54/42/521625442.db2.gz QGBHESGORVHEAS-SNVBAGLBSA-N 1 0 254.765 2.335 10 0 CEAERO CCCn1c2ccc([C@H]([NH3+])C3CCOCC3)cc2oc1=O ZINC000061672276 521637423 /nfs/dbraw/zinc/63/74/23/521637423.db2.gz IYZPUFYYRGQPPQ-OAHLLOKOSA-N 1 0 290.363 2.431 10 0 CEAERO CCS(=O)(=O)CC[C@H](C[NH2+]C)Cc1ccc(F)cc1 ZINC000052974794 521645709 /nfs/dbraw/zinc/64/57/09/521645709.db2.gz YQOXMQGZEKFNRW-ZDUSSCGKSA-N 1 0 287.400 2.029 10 0 CEAERO CCC1(C(=O)N(C)[C@H](C)c2ccncc2)CC[NH2+]CC1 ZINC000062849255 521659500 /nfs/dbraw/zinc/65/95/00/521659500.db2.gz OXFGHJKAYSJIAC-CYBMUJFWSA-N 1 0 275.396 2.381 10 0 CEAERO CCCN1C(=O)C[C@@H]([NH3+])[C@H]1c1ccc(F)c(C)c1 ZINC000070293467 521699872 /nfs/dbraw/zinc/69/98/72/521699872.db2.gz UJMZCQBAIBHEGM-TZMCWYRMSA-N 1 0 250.317 2.145 10 0 CEAERO CCOCCCC[NH2+]CCn1cnc2ccccc21 ZINC000053521598 521703352 /nfs/dbraw/zinc/70/33/52/521703352.db2.gz JQYFSQAMWNDSEY-UHFFFAOYSA-N 1 0 261.369 2.443 10 0 CEAERO CCNC(=O)COc1ccccc1C[NH2+]C(C)(C)C ZINC000062729202 521738831 /nfs/dbraw/zinc/73/88/31/521738831.db2.gz CBKZQBCUERULBE-UHFFFAOYSA-N 1 0 264.369 2.090 10 0 CEAERO CCc1cccc(OC[C@@]([NH2+]C(C)C)(C(N)=O)C2CC2)c1 ZINC000069196629 521778895 /nfs/dbraw/zinc/77/88/95/521778895.db2.gz WYRXKGZBJRKCPN-KRWDZBQOSA-N 1 0 290.407 2.260 10 0 CEAERO CNC(=O)c1ccc(C[NH2+]C[C@@H](C)CSC)cc1 ZINC000069439469 521820473 /nfs/dbraw/zinc/82/04/73/521820473.db2.gz HQGOGKVIHUDPJF-LLVKDONJSA-N 1 0 266.410 2.135 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N(C)Cc1ccc(Cl)s1 ZINC000061316902 521932219 /nfs/dbraw/zinc/93/22/19/521932219.db2.gz FJZJOMFTGDPMGC-UHFFFAOYSA-N 1 0 260.790 2.358 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000061317049 521932448 /nfs/dbraw/zinc/93/24/48/521932448.db2.gz LOHXIGYOAGSOIC-VIFPVBQESA-N 1 0 270.323 2.482 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N(Cc1ccccc1OC)C1CC1 ZINC000061317446 521934007 /nfs/dbraw/zinc/93/40/07/521934007.db2.gz DRMLMKXIWJUKPF-UHFFFAOYSA-N 1 0 276.380 2.184 10 0 CEAERO C[NH2+]C1CCC(NC(=O)c2ccc(OC)c(F)c2)CC1 ZINC000061668648 521948191 /nfs/dbraw/zinc/94/81/91/521948191.db2.gz SSTQNWLDPCGCGP-UHFFFAOYSA-N 1 0 280.343 2.095 10 0 CEAERO C[NH2+]C1CCN(C(=O)c2cccc(OC(C)C)c2)CC1 ZINC000061665788 521950492 /nfs/dbraw/zinc/95/04/92/521950492.db2.gz OMOKPCGOJZOZAW-UHFFFAOYSA-N 1 0 276.380 2.298 10 0 CEAERO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1cccc(OC)c1 ZINC000054628328 521957219 /nfs/dbraw/zinc/95/72/19/521957219.db2.gz HDFAAAQDFJHTKV-GOOCMWNKSA-N 1 0 260.381 2.410 10 0 CEAERO C[NH2+]CCN(C)Cc1noc(-c2ccc(Cl)cc2)n1 ZINC000070304118 522007597 /nfs/dbraw/zinc/00/75/97/522007597.db2.gz PZNFXHIBBLLSBM-UHFFFAOYSA-N 1 0 280.759 2.041 10 0 CEAERO C[NH2+]CC[C@@H]1CCCCN1C(=O)c1ccc2c(c1)CCO2 ZINC000070191380 522017361 /nfs/dbraw/zinc/01/73/61/522017361.db2.gz RCARHMMTWQNIBI-HNNXBMFYSA-N 1 0 288.391 2.226 10 0 CEAERO C[NH2+]CC[C@H]1CCCCN1C(=O)Cc1ccccc1OC ZINC000070191806 522019499 /nfs/dbraw/zinc/01/94/99/522019499.db2.gz WCJDYHFLKXNJPG-OAHLLOKOSA-N 1 0 290.407 2.228 10 0 CEAERO C[NH2+]CC[C@@H]1CCCCN1C(=O)c1occc1C ZINC000070191006 522019547 /nfs/dbraw/zinc/01/95/47/522019547.db2.gz QTRJONMSOATGLB-LBPRGKRZSA-N 1 0 250.342 2.192 10 0 CEAERO C[NH2+]C[C@@H](OC[C@H]1CCOC1)c1ccccc1F ZINC000050501766 522038509 /nfs/dbraw/zinc/03/85/09/522038509.db2.gz GMWSQWDBBOUEHM-SMDDNHRTSA-N 1 0 253.317 2.139 10 0 CEAERO COC(=O)c1ccc(C[NH2+][C@H](CN(C)C)C(C)C)cc1 ZINC000049195983 522040924 /nfs/dbraw/zinc/04/09/24/522040924.db2.gz AIXAXFIQKBMRRG-OAHLLOKOSA-N 1 0 278.396 2.149 10 0 CEAERO C[NH2+]C[C@@H]1CCN(c2cc(OC)c(Cl)cc2OC)C1 ZINC000053011962 522057058 /nfs/dbraw/zinc/05/70/58/522057058.db2.gz JCZYFDHCBBTPLH-JTQLQIEISA-N 1 0 284.787 2.403 10 0 CEAERO C[NH2+]C[C@@H]1C[C@@H]1c1cc(OC)c(OC)cc1OC ZINC000054588632 522060804 /nfs/dbraw/zinc/06/08/04/522060804.db2.gz FMHDGRCZTLHZSQ-UWVGGRQHSA-N 1 0 251.326 2.035 10 0 CEAERO C[NH2+]C[C@@H]1OCCN(C2CC2)[C@@H]1c1ccc(C)cc1C ZINC000070289442 522064426 /nfs/dbraw/zinc/06/44/26/522064426.db2.gz ZKTXXXZIFFTVIH-DLBZAZTESA-N 1 0 274.408 2.427 10 0 CEAERO C[NH2+]C[C@H](CCCOC)Cc1cccc(OC)c1 ZINC000052978231 522074040 /nfs/dbraw/zinc/07/40/40/522074040.db2.gz IUZAMRPTYAGQIS-CQSZACIVSA-N 1 0 251.370 2.500 10 0 CEAERO C[NH2+]C[C@H](c1ccccc1)n1nnc2ccccc21 ZINC000052576748 522078821 /nfs/dbraw/zinc/07/88/21/522078821.db2.gz UALOXZBMBKCYAJ-OAHLLOKOSA-N 1 0 252.321 2.240 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1C(=O)c1c[nH]c2ccccc12 ZINC000063167662 522080297 /nfs/dbraw/zinc/08/02/97/522080297.db2.gz NDAJOGIVOBOKBT-GFCCVEGCSA-N 1 0 271.364 2.382 10 0 CEAERO C[NH2+]Cc1c(-n2ncc3ccccc32)nc2sccn12 ZINC000050526767 522097773 /nfs/dbraw/zinc/09/77/73/522097773.db2.gz LKKRPJKSMBUNNG-UHFFFAOYSA-N 1 0 283.360 2.454 10 0 CEAERO C[NH2+]Cc1c2ccccc2oc1Cn1nc(C)nc1C ZINC000052574454 522104568 /nfs/dbraw/zinc/10/45/68/522104568.db2.gz AYDHCSRICJMHNO-UHFFFAOYSA-N 1 0 270.336 2.409 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc(N)ccc2Cl)CC1 ZINC000055063501 522114339 /nfs/dbraw/zinc/11/43/39/522114339.db2.gz YTIPFYSDPKKRAL-LLVKDONJSA-N 1 0 295.814 2.479 10 0 CEAERO C[NH2+]Cc1cn(CCO[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)nn1 ZINC000052625426 522146492 /nfs/dbraw/zinc/14/64/92/522146492.db2.gz XXDIEBHGTNXKRE-FVQBIDKESA-N 1 0 294.443 2.475 10 0 CEAERO C[NH2+]Cc1nnnn1-c1cc(C(F)(F)F)ccc1Cl ZINC000054744207 522157064 /nfs/dbraw/zinc/15/70/64/522157064.db2.gz GCNAHMZUQZOHAN-UHFFFAOYSA-N 1 0 291.664 2.054 10 0 CEAERO CC[C@H](C[NH2+]C1CC1)N(C)Cc1csc(C)n1 ZINC000052505739 522192785 /nfs/dbraw/zinc/19/27/85/522192785.db2.gz XZCIRLQWCIBWOQ-CYBMUJFWSA-N 1 0 253.415 2.414 10 0 CEAERO CC[C@@H](C)[NH2+]C[C@H](C)Oc1ccc(S(C)(=O)=O)cc1 ZINC000053589069 522227892 /nfs/dbraw/zinc/22/78/92/522227892.db2.gz LDSPWXRZVAOSPR-NEPJUHHUSA-N 1 0 285.409 2.246 10 0 CEAERO CC[C@@H](C)[NH2+][C@H](C(N)=O)c1cccc2cccnc21 ZINC000069503191 522233616 /nfs/dbraw/zinc/23/36/16/522233616.db2.gz PSQJQSCWTLLARY-YGRLFVJLSA-N 1 0 257.337 2.149 10 0 CEAERO CC[C@@H](C)Oc1cccc(NC(=O)[C@@H]([NH3+])CCOC)c1 ZINC000052810466 522269705 /nfs/dbraw/zinc/26/97/05/522269705.db2.gz MGXSEVWGJJSAEK-RISCZKNCSA-N 1 0 280.368 2.166 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(NC(=O)[C@H]2CCCCO2)cc1 ZINC000050959759 522332409 /nfs/dbraw/zinc/33/24/09/522332409.db2.gz FWGHFBYMIRTUAL-SMDDNHRTSA-N 1 0 262.353 2.475 10 0 CEAERO CC[C@H]([NH3+])Cc1ccnc(Cc2csc(C)n2)n1 ZINC000055296910 522335040 /nfs/dbraw/zinc/33/50/40/522335040.db2.gz ZCCQFGVPLQZIDS-JTQLQIEISA-N 1 0 262.382 2.112 10 0 CEAERO C[NH2+][C@@H](C)c1ccccc1NC(=O)[C@H]1CCCCO1 ZINC000050959808 522337269 /nfs/dbraw/zinc/33/72/69/522337269.db2.gz UIMLJEJUJZCDKR-SMDDNHRTSA-N 1 0 262.353 2.475 10 0 CEAERO COc1cc(C[NH3+])cc(Cl)c1OCc1ncccn1 ZINC000054458272 522362383 /nfs/dbraw/zinc/36/23/83/522362383.db2.gz QKNCDIPBCHSFMA-UHFFFAOYSA-N 1 0 279.727 2.176 10 0 CEAERO C[NH2+][C@@H](c1ccc2c(c1)CCCC2)[C@H]1COCCO1 ZINC000055299250 522372367 /nfs/dbraw/zinc/37/23/67/522372367.db2.gz FNFNBYJBUZXFPI-CVEARBPZSA-N 1 0 261.365 2.241 10 0 CEAERO C[NH2+][C@@H](c1cnccn1)c1cccc2cnccc21 ZINC000061124250 522375217 /nfs/dbraw/zinc/37/52/17/522375217.db2.gz SJZNITWCLNUCRD-OAHLLOKOSA-N 1 0 250.305 2.334 10 0 CEAERO C[NH2+][C@@H]1CCCc2nc(N(C)[C@@H](C)COC)sc21 ZINC000054906752 522390963 /nfs/dbraw/zinc/39/09/63/522390963.db2.gz XGKABHHNCHRQKG-VHSXEESVSA-N 1 0 269.414 2.211 10 0 CEAERO C[NH2+][C@@H]1CCc2c1cccc2OCCn1cccn1 ZINC000062798950 522397557 /nfs/dbraw/zinc/39/75/57/522397557.db2.gz KHASZATYKMXOBL-CQSZACIVSA-N 1 0 257.337 2.169 10 0 CEAERO C[NH2+][C@@H]1CCc2c1cccc2OCCCC(=O)OC ZINC000062799086 522398955 /nfs/dbraw/zinc/39/89/55/522398955.db2.gz SLPONBGUEWILOS-CYBMUJFWSA-N 1 0 263.337 2.225 10 0 CEAERO C[NH2+][C@@](C)(C[C@@H](C)Oc1ccc2c(c1)CCCC2)C(N)=O ZINC000068652523 522416517 /nfs/dbraw/zinc/41/65/17/522416517.db2.gz BXKIQXYCJSGEQG-PXAZEXFGSA-N 1 0 290.407 2.186 10 0 CEAERO C[NH2+][C@@](COc1ccc(C(C)C)c(C)c1)(C(N)=O)C1CC1 ZINC000069197208 522430932 /nfs/dbraw/zinc/43/09/32/522430932.db2.gz XIEHLFATGYEIIG-QGZVFWFLSA-N 1 0 290.407 2.351 10 0 CEAERO C[NH2+][C@@](CSCc1cccc(C)c1)(C(N)=O)C1CC1 ZINC000069189849 522433630 /nfs/dbraw/zinc/43/36/30/522433630.db2.gz OKOBNBOJLOQYNC-OAHLLOKOSA-N 1 0 278.421 2.082 10 0 CEAERO COc1cc(C[NH2+]C(C)(C)C)ccc1OC[C@@H](C)O ZINC000062731787 522440209 /nfs/dbraw/zinc/44/02/09/522440209.db2.gz XVFWXACOLMTCJM-LLVKDONJSA-N 1 0 267.369 2.343 10 0 CEAERO C[NH2+][C@H](C)c1ccc(NC(=O)[C@H]2CCCOC2)cc1 ZINC000062193995 522448863 /nfs/dbraw/zinc/44/88/63/522448863.db2.gz ODCSVGHQZVQKOA-YPMHNXCESA-N 1 0 262.353 2.332 10 0 CEAERO C[NH2+][C@H](CN1CCN(C)C1=O)c1ccc(C(C)C)cc1 ZINC000052885597 522466488 /nfs/dbraw/zinc/46/64/88/522466488.db2.gz YVYOAXBVAJSVSR-OAHLLOKOSA-N 1 0 275.396 2.438 10 0 CEAERO C[NH2+][C@H](Cc1ccccn1)c1ccc2c(c1)OCCO2 ZINC000055223884 522472714 /nfs/dbraw/zinc/47/27/14/522472714.db2.gz FKMNMARNJRXZIS-CQSZACIVSA-N 1 0 270.332 2.356 10 0 CEAERO C[NH2+][C@H](c1ccc(OC(C)C)cc1)[C@H]1COCCO1 ZINC000055299627 522479635 /nfs/dbraw/zinc/47/96/35/522479635.db2.gz HWHKEQHHFPNUEI-HUUCEWRRSA-N 1 0 265.353 2.150 10 0 CEAERO COc1cc(C[NH2+][C@H]2CCC[C@@H]2OC)cc2c1OCCO2 ZINC000049949093 522486773 /nfs/dbraw/zinc/48/67/73/522486773.db2.gz JKTKNPSSKSZDAW-STQMWFEESA-N 1 0 293.363 2.124 10 0 CEAERO C[NH2+][C@H]1CCCN(C(=O)CSCc2ccc(C)cc2)C1 ZINC000151004591 522492542 /nfs/dbraw/zinc/49/25/42/522492542.db2.gz ZMHQPCKPEPQMLO-HNNXBMFYSA-N 1 0 292.448 2.439 10 0 CEAERO C[NH2+][C@H]1CCc2c1cccc2OCCC(=O)NC(C)C ZINC000062799122 522505838 /nfs/dbraw/zinc/50/58/38/522505838.db2.gz QHDHZVWLZBVBFO-AWEZNQCLSA-N 1 0 276.380 2.187 10 0 CEAERO C[NH2+][C@H]1COc2cc(OCc3ncc(Cl)n3C)ccc21 ZINC000062804206 522507684 /nfs/dbraw/zinc/50/76/84/522507684.db2.gz QVOOXOSRWUDXQZ-NSHDSACASA-N 1 0 293.754 2.305 10 0 CEAERO C[NH2+][C@](C)(CCCSCc1cccc(C)c1)C(N)=O ZINC000054966511 522515581 /nfs/dbraw/zinc/51/55/81/522515581.db2.gz IHDJGZXPDMPZTM-OAHLLOKOSA-N 1 0 280.437 2.472 10 0 CEAERO CN(CC(F)(F)F)C[C@](C)(C[NH3+])c1ccccc1 ZINC000051249088 522579329 /nfs/dbraw/zinc/57/93/29/522579329.db2.gz BRBALNGACWCOSA-LBPRGKRZSA-N 1 0 260.303 2.397 10 0 CEAERO COc1cc(F)c([C@H]([NH3+])C2CCOCC2)cc1OC ZINC000061672318 522586527 /nfs/dbraw/zinc/58/65/27/522586527.db2.gz ZDCWYAJZRLKPDQ-CQSZACIVSA-N 1 0 269.316 2.269 10 0 CEAERO COC[C@H](C)N(C)c1nc2ccccc2cc1C[NH3+] ZINC000049030771 522598996 /nfs/dbraw/zinc/59/89/96/522598996.db2.gz HSXIDUZYLHNPON-NSHDSACASA-N 1 0 259.353 2.165 10 0 CEAERO COc1cc(F)ccc1NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000049569947 522609130 /nfs/dbraw/zinc/60/91/30/522609130.db2.gz BAUGQVITPFYCFQ-AWEZNQCLSA-N 1 0 274.295 2.473 10 0 CEAERO COc1cc(NC(=[NH2+])NCC(C)C)cc(OC)c1 ZINC000052069427 522638760 /nfs/dbraw/zinc/63/87/60/522638760.db2.gz FWLNCQKTICCECG-UHFFFAOYSA-N 1 0 251.330 2.296 10 0 CEAERO CC[C@@H]([NH3+])Cc1noc([C@@H](OC)c2ccccc2)n1 ZINC000054184472 522646514 /nfs/dbraw/zinc/64/65/14/522646514.db2.gz NYCODHMNWFAHTI-YPMHNXCESA-N 1 0 261.325 2.085 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1cnn(C)c1)N1CCC(C)(C)CC1 ZINC000061818332 522651514 /nfs/dbraw/zinc/65/15/14/522651514.db2.gz NRETZMOIWMRXKD-ZIAGYGMSSA-N 1 0 264.417 2.321 10 0 CEAERO CNc1ncccc1C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000050721273 522706107 /nfs/dbraw/zinc/70/61/07/522706107.db2.gz NNAFVRKGIRTNFF-ZDUSSCGKSA-N 1 0 290.411 2.118 10 0 CEAERO COC1CCN([C@H](C[NH3+])c2ccc(F)c(C)c2)CC1 ZINC000050546029 522708358 /nfs/dbraw/zinc/70/83/58/522708358.db2.gz UBPDOFQMPPJRHS-OAHLLOKOSA-N 1 0 266.360 2.245 10 0 CEAERO CCc1nnc(C[NH2+][C@H](Cc2ccccc2)C2CC2)n1C ZINC000183395448 522746597 /nfs/dbraw/zinc/74/65/97/522746597.db2.gz IDRWHIURRVTZCN-OAHLLOKOSA-N 1 0 284.407 2.488 10 0 CEAERO C[N@H+](CCCNC(=O)c1csc(N)n1)C1CCCCC1 ZINC000055187983 522769075 /nfs/dbraw/zinc/76/90/75/522769075.db2.gz WILVGFZKGLYFJX-UHFFFAOYSA-N 1 0 296.440 2.110 10 0 CEAERO CC[C@@H]([NH2+]C)c1ccc(OCCCC(=O)NC)cc1 ZINC000068816385 522806479 /nfs/dbraw/zinc/80/64/79/522806479.db2.gz VZWBTBWYSQIUDT-CQSZACIVSA-N 1 0 264.369 2.262 10 0 CEAERO CN(CC[NH2+]Cc1ccc(-n2ccnc2)cc1)C1CC1 ZINC000061994419 522866517 /nfs/dbraw/zinc/86/65/17/522866517.db2.gz DFJAYROPZWKOGJ-UHFFFAOYSA-N 1 0 270.380 2.056 10 0 CEAERO CN(CC[NH2+]C[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000053429799 522866961 /nfs/dbraw/zinc/86/69/61/522866961.db2.gz BZGKTDFEMYXZLM-AWEZNQCLSA-N 1 0 252.333 2.031 10 0 CEAERO CC[C@H](Oc1ccc2c(c1)OC(C)(C)C[C@H]2[NH2+]C)C(N)=O ZINC000061676012 522876820 /nfs/dbraw/zinc/87/68/20/522876820.db2.gz XEXPYFPCFRCOQA-OLZOCXBDSA-N 1 0 292.379 2.151 10 0 CEAERO COc1cc([C@@H](O)[C@@H]([NH3+])CC(C)C)cc(OC)c1OC ZINC000054929247 522913712 /nfs/dbraw/zinc/91/37/12/522913712.db2.gz HNKZUUUXAHYQRL-SMDDNHRTSA-N 1 0 283.368 2.119 10 0 CEAERO CC[C@@H](Oc1ccc(C[NH2+]CC(C)C)cc1)C(N)=O ZINC000062728985 523039602 /nfs/dbraw/zinc/03/96/02/523039602.db2.gz HTTNAALKJSNYBW-CQSZACIVSA-N 1 0 264.369 2.075 10 0 CEAERO CC[C@@H](Oc1ccc(C[C@@H]([NH3+])CC)cc1Cl)C(N)=O ZINC000061678485 523042324 /nfs/dbraw/zinc/04/23/24/523042324.db2.gz IJVITEGBKJTADK-CMPLNLGQSA-N 1 0 284.787 2.263 10 0 CEAERO CN(C[C@@H]1CCCO1)[C@@H](C[NH3+])c1cccc2cccnc21 ZINC000069502612 523054853 /nfs/dbraw/zinc/05/48/53/523054853.db2.gz ZSJXIKWOSIVUJM-HOCLYGCPSA-N 1 0 285.391 2.345 10 0 CEAERO CC[C@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NCCCOC ZINC000049119850 523063897 /nfs/dbraw/zinc/06/38/97/523063897.db2.gz GPWOBGRUYUPQGX-MELADBBJSA-N 1 0 270.417 2.086 10 0 CEAERO COCc1cccc(NC(=O)C[C@@H]2CCCC[NH2+]2)c1 ZINC000049511993 523066185 /nfs/dbraw/zinc/06/61/85/523066185.db2.gz NACFVHYUQRNRMN-ZDUSSCGKSA-N 1 0 262.353 2.304 10 0 CEAERO CN(C[C@@](CO)([NH2+]C1CC1)C1CC1)c1ccccc1F ZINC000070338707 523089192 /nfs/dbraw/zinc/08/91/92/523089192.db2.gz FCVGXIBSYOSBLH-INIZCTEOSA-N 1 0 278.371 2.155 10 0 CEAERO CC[C@H]1CCCN1C(=O)c1cccn1C1CC[NH2+]CC1 ZINC000054443460 523104960 /nfs/dbraw/zinc/10/49/60/523104960.db2.gz QPFZJBBIBMBLAO-ZDUSSCGKSA-N 1 0 275.396 2.427 10 0 CEAERO CN1CCC([N@H+](C)Cc2ccc(Cl)cc2N)CC1 ZINC000050442838 523228992 /nfs/dbraw/zinc/22/89/92/523228992.db2.gz GBPLZRNSHRKGBO-UHFFFAOYSA-N 1 0 267.804 2.448 10 0 CEAERO CC[C@H]1COCCN1c1cccc(Cl)c1C(N)=[NH2+] ZINC000052905134 523338676 /nfs/dbraw/zinc/33/86/76/523338676.db2.gz BWFWBOAGVLVLPE-VIFPVBQESA-N 1 0 267.760 2.239 10 0 CEAERO CCn1cc(CN2CC[NH2+][C@@](C)(c3ccccc3)C2)cn1 ZINC000068693782 523376575 /nfs/dbraw/zinc/37/65/75/523376575.db2.gz IMGQRHAYSWRJQQ-QGZVFWFLSA-N 1 0 284.407 2.224 10 0 CEAERO CCn1cc(C[C@@H](Cc2csc(C)n2)[NH2+]C)cn1 ZINC000055294939 523393676 /nfs/dbraw/zinc/39/36/76/523393676.db2.gz FTMMBYOGKPYYIO-LBPRGKRZSA-N 1 0 264.398 2.041 10 0 CEAERO CC[C@H]1C[C@H]([NH2+][C@@H]2CCCc3c2cnn3C)CCO1 ZINC000070353871 523404608 /nfs/dbraw/zinc/40/46/08/523404608.db2.gz LZRHSQFKRCSRMF-MBNYWOFBSA-N 1 0 263.385 2.345 10 0 CEAERO CC[C@@H]1CN(c2c(C[NH2+]C(C)(C)C)c(C)nn2C)CCO1 ZINC000062735895 523469567 /nfs/dbraw/zinc/46/95/67/523469567.db2.gz OKUUYUPXEJLYHL-CYBMUJFWSA-N 1 0 294.443 2.232 10 0 CEAERO CC[C@@H]1C[C@@H]([NH2+]C[C@@H](CC(C)C)N2CCOCC2)CCO1 ZINC000070346798 523545599 /nfs/dbraw/zinc/54/55/99/523545599.db2.gz DLUJJXYOMNMXKO-GVDBMIGSSA-N 1 0 298.471 2.281 10 0 CEAERO COCCN(C)c1nc2ccccn2c1C[NH2+]CC(C)C ZINC000062736987 523640376 /nfs/dbraw/zinc/64/03/76/523640376.db2.gz PWHIOKSTCAQMNI-UHFFFAOYSA-N 1 0 290.411 2.163 10 0 CEAERO CC[C@@]1(C(=O)N[C@@H]2CCCC[C@@H]2C)CCC[NH2+]C1 ZINC000062852515 523695789 /nfs/dbraw/zinc/69/57/89/523695789.db2.gz GSXFMMURHDYPCX-GZBFAFLISA-N 1 0 252.402 2.461 10 0 CEAERO COCCN(CCOC)[C@@H](C[NH2+]C(C)C)c1ccccc1 ZINC000052571523 523723204 /nfs/dbraw/zinc/72/32/04/523723204.db2.gz NKNFASAUHSIIHR-KRWDZBQOSA-N 1 0 294.439 2.321 10 0 CEAERO CCn1nccc1[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C ZINC000069471298 523744896 /nfs/dbraw/zinc/74/48/96/523744896.db2.gz AIRLBAYHVJCTHK-CYBMUJFWSA-N 1 0 289.379 2.423 10 0 CEAERO CCn1nccc1[C@H](Cc1nc(C)cs1)[NH2+]C ZINC000069472218 523745963 /nfs/dbraw/zinc/74/59/63/523745963.db2.gz PQHYYMDCDRGLDR-JTQLQIEISA-N 1 0 250.371 2.171 10 0 CEAERO COc1ccc(C)cc1-c1nc([C@@H]([NH3+])C2CC2)no1 ZINC000052944023 523797450 /nfs/dbraw/zinc/79/74/50/523797450.db2.gz KYNYUIOWCRIIFE-LBPRGKRZSA-N 1 0 259.309 2.463 10 0 CEAERO COC(=O)[C@@](C[N@H+](C)CCC(C)C)(NC1CC1)C1CC1 ZINC000069183699 523822535 /nfs/dbraw/zinc/82/25/35/523822535.db2.gz ZIHLGAXZMUDPBF-INIZCTEOSA-N 1 0 282.428 2.038 10 0 CEAERO C[N@@H+]1CCC[C@H](Nc2cc(Cl)ccc2C(N)=S)C1 ZINC000062788159 523844473 /nfs/dbraw/zinc/84/44/73/523844473.db2.gz OJRKOJVHKAFDDV-JTQLQIEISA-N 1 0 283.828 2.480 10 0 CEAERO CC[C@H](C)C[NH2+]C[C@@H](O)c1ccc2c(c1)OCCO2 ZINC000054470270 523883396 /nfs/dbraw/zinc/88/33/96/523883396.db2.gz KOXZTDRMEHMEND-WCQYABFASA-N 1 0 265.353 2.127 10 0 CEAERO CC[C@H](C)CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C)c1 ZINC000054489149 523886280 /nfs/dbraw/zinc/88/62/80/523886280.db2.gz BCDCJVRQPGJHOP-RYUDHWBXSA-N 1 0 284.425 2.291 10 0 CEAERO COC(=O)[C@H](CC[N@H+](C)C1CCC(C)CC1)NC1CC1 ZINC000062525201 523896627 /nfs/dbraw/zinc/89/66/27/523896627.db2.gz UYFKDHXUHWYPHA-ZALBZXLWSA-N 1 0 282.428 2.181 10 0 CEAERO COC(=O)[C@H](CC[N@H+]1[C@H](C)CCC[C@@H]1C)NC(C)C ZINC000062443600 523900191 /nfs/dbraw/zinc/90/01/91/523900191.db2.gz SXRYOVSBCIRWSG-MJBXVCDLSA-N 1 0 270.417 2.179 10 0 CEAERO COCC[NH2+]CCc1c(C)nc(CCC(C)C)nc1C ZINC000054854003 523939624 /nfs/dbraw/zinc/93/96/24/523939624.db2.gz YBGJEDFTMWNNCI-UHFFFAOYSA-N 1 0 279.428 2.461 10 0 CEAERO COCC[NH2+]C[C@@H](C)n1cc(-c2ccccc2)cn1 ZINC000054962388 523940275 /nfs/dbraw/zinc/94/02/75/523940275.db2.gz RXAUZQQLJCSPLD-CYBMUJFWSA-N 1 0 259.353 2.347 10 0 CEAERO COCC[NH2+]C[C@@H](C)c1c(C)nc(C2CC2)nc1C ZINC000054855179 523940677 /nfs/dbraw/zinc/94/06/77/523940677.db2.gz FACZVNQCJPZFPL-SNVBAGLBSA-N 1 0 263.385 2.310 10 0 CEAERO COCC[NH2+]C[C@@](C)(O)c1ccc2ccccc2c1 ZINC000055033613 523942557 /nfs/dbraw/zinc/94/25/57/523942557.db2.gz LGJPEXGEJUVEKT-MRXNPFEDSA-N 1 0 259.349 2.283 10 0 CEAERO COCC[NH2+]C[C@H]1CCCN1CCCOc1ccccc1 ZINC000061815935 523943376 /nfs/dbraw/zinc/94/33/76/523943376.db2.gz WYWNEXVKEFJDNJ-MRXNPFEDSA-N 1 0 292.423 2.156 10 0 CEAERO COCC[NH2+]C[C@H]1C[C@@]1(C)c1ccc(F)c(F)c1 ZINC000054599022 523944870 /nfs/dbraw/zinc/94/48/70/523944870.db2.gz PZRBCJASPCBDRK-RISCZKNCSA-N 1 0 255.308 2.478 10 0 CEAERO COCC[NH2+]C[C@H]1C[C@@H]1c1ccc(OC)c(OC)c1 ZINC000054598502 523945007 /nfs/dbraw/zinc/94/50/07/523945007.db2.gz ZPPONHJMUZJNCP-CHWSQXEVSA-N 1 0 265.353 2.043 10 0 CEAERO COCC[NH2+]Cc1ccc(-n2ccnc2C)c(C)c1 ZINC000062738613 523952145 /nfs/dbraw/zinc/95/21/45/523952145.db2.gz RUWODOJRKDXHAH-UHFFFAOYSA-N 1 0 259.353 2.225 10 0 CEAERO COCC[NH2+]Cc1cccc(OCc2ccncc2)c1 ZINC000062731588 523954470 /nfs/dbraw/zinc/95/44/70/523954470.db2.gz NVKGLABLOGGSSD-UHFFFAOYSA-N 1 0 272.348 2.397 10 0 CEAERO CC[C@H](C)[NH+]1CCN(C[C@@](C)(CO)c2ccccc2)CC1 ZINC000055072914 523955283 /nfs/dbraw/zinc/95/52/83/523955283.db2.gz ZPHWGPSYJJHVCZ-WMZOPIPTSA-N 1 0 290.451 2.353 10 0 CEAERO COCC[NH2+]Cc1cnc(-c2cc(F)cc(F)c2)nc1 ZINC000054856873 523955497 /nfs/dbraw/zinc/95/54/97/523955497.db2.gz CZCAXNPPGODLGN-UHFFFAOYSA-N 1 0 279.290 2.158 10 0 CEAERO COCC[NH2+]Cc1cnc(Cc2cc(C)cc(C)c2)nc1 ZINC000054856852 523956497 /nfs/dbraw/zinc/95/64/97/523956497.db2.gz NSOMPKJYUBHISH-UHFFFAOYSA-N 1 0 285.391 2.420 10 0 CEAERO COCC[NH2+]Cc1cnc(-c2ccc(F)c(F)c2)nc1 ZINC000054856742 523956908 /nfs/dbraw/zinc/95/69/08/523956908.db2.gz PJHQHSNMOCUGRN-UHFFFAOYSA-N 1 0 279.290 2.158 10 0 CEAERO CC[C@H](C)[NH+]1CCN(c2n[nH]c(=S)n2C(C)C)CC1 ZINC000055069002 523960189 /nfs/dbraw/zinc/96/01/89/523960189.db2.gz IDBIKOKGKBJIGH-NSHDSACASA-N 1 0 283.445 2.442 10 0 CEAERO CC[C@H](C)[NH+]1CCN(c2ccc(C(N)=S)cc2F)CC1 ZINC000055080617 523960232 /nfs/dbraw/zinc/96/02/32/523960232.db2.gz MGEFPPZGFSWEFJ-NSHDSACASA-N 1 0 295.427 2.380 10 0 CEAERO CC[C@H](C)NC(=O)C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000049899695 523973042 /nfs/dbraw/zinc/97/30/42/523973042.db2.gz FFIGTRCQHSHXQQ-SWLSCSKDSA-N 1 0 260.381 2.048 10 0 CEAERO CC[C@H](C)NC(=O)NC[C@H](c1ccc(OC)cc1)[NH+](C)C ZINC000062352461 523979064 /nfs/dbraw/zinc/97/90/64/523979064.db2.gz IWWMFOIZKGZXMT-SWLSCSKDSA-N 1 0 293.411 2.396 10 0 CEAERO CO[C@H]1CCC[C@H]([N@@H+]2CCNC[C@@H]2Cc2ccccc2)C1 ZINC000068696721 523983873 /nfs/dbraw/zinc/98/38/73/523983873.db2.gz VBSVKEIDKBINEA-BZSNNMDCSA-N 1 0 288.435 2.461 10 0 CEAERO CN1CC[C@H]([NH2+]CCOc2ccc(Br)cc2)C1 ZINC000049596117 523986880 /nfs/dbraw/zinc/98/68/80/523986880.db2.gz RKWCBOWUVIFMHU-LBPRGKRZSA-N 1 0 299.212 2.122 10 0 CEAERO CCc1ccc(NC(=O)c2ccc(NN)[nH+]c2)cc1 ZINC000051096715 523992146 /nfs/dbraw/zinc/99/21/46/523992146.db2.gz LMOOPAKGODTXKO-UHFFFAOYSA-N 1 0 256.309 2.182 10 0 CEAERO COC(=O)[C@](C[N@H+](C)[C@@H](C)C(C)C)(NC1CC1)C1CC1 ZINC000069099573 524003942 /nfs/dbraw/zinc/00/39/42/524003942.db2.gz OAEFYZZKZMNZSP-BLLLJJGKSA-N 1 0 282.428 2.037 10 0 CEAERO COC(=O)[C@](C[N@@H+]1CCC[C@@H](C)C1)(NC(C)C)C1CC1 ZINC000069094903 524004411 /nfs/dbraw/zinc/00/44/11/524004411.db2.gz UPLKCJHWWGOGGX-CZUORRHYSA-N 1 0 282.428 2.038 10 0 CEAERO C[NH+](C)CCCOc1cc(C(N)=S)c2ccccc2n1 ZINC000068799807 524058372 /nfs/dbraw/zinc/05/83/72/524058372.db2.gz WRFSUXLLJRMSJE-UHFFFAOYSA-N 1 0 289.404 2.200 10 0 CEAERO CNC(=O)[C@@H](CC(C)C)[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000062707696 524080932 /nfs/dbraw/zinc/08/09/32/524080932.db2.gz PKFPPZPEDJUAOS-GFCCVEGCSA-N 1 0 288.313 2.354 10 0 CEAERO COc1ccc(C[NH2+][C@@H]2C[C@@H]2C)c(OC)c1OC ZINC000052269484 524086201 /nfs/dbraw/zinc/08/62/01/524086201.db2.gz GPOLHSYXBHZSRR-GXSJLCMTSA-N 1 0 251.326 2.210 10 0 CEAERO COc1ccc(COCC2CC[NH2+]CC2)cc1OC ZINC000051815043 524111377 /nfs/dbraw/zinc/11/13/77/524111377.db2.gz YCZNONYXXYDFGP-UHFFFAOYSA-N 1 0 265.353 2.220 10 0 CEAERO C[C@@H]1CCCC[C@@H]1CNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000261568461 524121316 /nfs/dbraw/zinc/12/13/16/524121316.db2.gz JCHBMTQRIFKEON-MGPQQGTHSA-N 1 0 252.402 2.461 10 0 CEAERO Cc1cc(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1F ZINC000063055881 524133979 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Cc1ccccc1CCC(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000061883623 525104427 /nfs/dbraw/zinc/10/44/27/525104427.db2.gz VKZIXQVAOOYCSE-HUUCEWRRSA-N 1 0 260.381 2.171 10 0 CEAERO C[C@H]1[C@H](NC(=O)C[C@@H]2CCC[NH2+]C2)CCC[C@@H]1C ZINC000054290371 525109780 /nfs/dbraw/zinc/10/97/80/525109780.db2.gz WLQCKADWDLRGBU-RFQIPJPRSA-N 1 0 252.402 2.317 10 0 CEAERO Cc1ccccc1CN(C)Cc1cccnc1C(N)=[NH2+] ZINC000061658098 525127563 /nfs/dbraw/zinc/12/75/63/525127563.db2.gz XJHIHOUANMOIAT-UHFFFAOYSA-N 1 0 268.364 2.306 10 0 CEAERO C[C@]([NH3+])(C(=O)NCCc1cccc(F)c1)c1ccccc1 ZINC000052881633 525144310 /nfs/dbraw/zinc/14/43/10/525144310.db2.gz JRDNALMXJFJXTI-QGZVFWFLSA-N 1 0 286.350 2.359 10 0 CEAERO C[C@]([NH3+])(C(=O)NCCOc1ccccc1)c1ccccc1 ZINC000052882959 525144536 /nfs/dbraw/zinc/14/45/36/525144536.db2.gz KNDHFFFKWHQJDX-QGZVFWFLSA-N 1 0 284.359 2.056 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CC[C@@H](C)[NH2+]C1)C1CCCCC1 ZINC000052343591 525144484 /nfs/dbraw/zinc/14/44/84/525144484.db2.gz MZVXBBUDPMXQAV-MBNYWOFBSA-N 1 0 252.402 2.460 10 0 CEAERO C[C@H](NC(=O)[C@H](C[NH3+])c1ccccc1)c1ccncc1 ZINC000061611309 525166424 /nfs/dbraw/zinc/16/64/24/525166424.db2.gz RMKYDVWCQUDBST-SWLSCSKDSA-N 1 0 269.348 2.001 10 0 CEAERO Cc1ccccc1CSCCN1CC[NH2+]CC1 ZINC000054964605 525183498 /nfs/dbraw/zinc/18/34/98/525183498.db2.gz VODHTYVTKOQNNW-UHFFFAOYSA-N 1 0 250.411 2.133 10 0 CEAERO CS(=O)(=O)[C@H](c1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC000054930116 525234690 /nfs/dbraw/zinc/23/46/90/525234690.db2.gz SJTFQDOISANBHP-LSDHHAIUSA-N 1 0 275.373 2.472 10 0 CEAERO CS(=O)(=O)[C@H](c1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC000054930114 525235311 /nfs/dbraw/zinc/23/53/11/525235311.db2.gz SJTFQDOISANBHP-HUUCEWRRSA-N 1 0 275.373 2.472 10 0 CEAERO Cc1ccccc1NC(=O)CO[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000050211535 525241011 /nfs/dbraw/zinc/24/10/11/525241011.db2.gz HPOZWHOYDUMVFH-CHWSQXEVSA-N 1 0 262.353 2.091 10 0 CEAERO Cc1ccc(NC(=O)c2cc[nH+]c(NN)c2)cc1F ZINC000051096731 525249707 /nfs/dbraw/zinc/24/97/07/525249707.db2.gz QFXBXQBIZQKRDA-UHFFFAOYSA-N 1 0 260.272 2.067 10 0 CEAERO CS(=O)(=O)c1ccc(N[C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000063214769 525258913 /nfs/dbraw/zinc/25/89/13/525258913.db2.gz SJNPGWMAQSZPFP-UONOGXRCSA-N 1 0 282.409 2.162 10 0 CEAERO CS(=O)(=O)c1ccc(OCCC[C@H]2CCC[NH2+]2)cc1 ZINC000052765145 525261434 /nfs/dbraw/zinc/26/14/34/525261434.db2.gz HMFHPWDTLIKBIB-GFCCVEGCSA-N 1 0 283.393 2.001 10 0 CEAERO CS(=O)(=O)c1ccc(Oc2cccc(C[NH3+])c2)cc1 ZINC000069330631 525262903 /nfs/dbraw/zinc/26/29/03/525262903.db2.gz JDSVWDUVDZJPET-UHFFFAOYSA-N 1 0 277.345 2.341 10 0 CEAERO COc1ccc([C@@H]2[C@@H]([NH3+])CC(=O)N2C(C)(C)C)c(OC)c1 ZINC000070294077 525272674 /nfs/dbraw/zinc/27/26/74/525272674.db2.gz DUZQUOWVBOFPKO-SWLSCSKDSA-N 1 0 292.379 2.103 10 0 CEAERO C[C@H]([NH2+]CCOCc1ccccc1F)[C@@H]1CCCO1 ZINC000069286965 525358635 /nfs/dbraw/zinc/35/86/35/525358635.db2.gz WIMXXOAXJZRZSA-WFASDCNBSA-N 1 0 267.344 2.499 10 0 CEAERO Cc1cc(O[C@@H](C)C[C@@](C)([NH3+])C(N)=O)ccc1C(C)C ZINC000068655758 525381206 /nfs/dbraw/zinc/38/12/06/525381206.db2.gz JGSLJRQPASBPGK-BLLLJJGKSA-N 1 0 278.396 2.479 10 0 CEAERO Cc1cc(SCCOc2ccc(C(N)=[NH2+])cc2)n(C)n1 ZINC000052310102 525435369 /nfs/dbraw/zinc/43/53/69/525435369.db2.gz IHAUAXDCWRGRTA-UHFFFAOYSA-N 1 0 290.392 2.184 10 0 CEAERO Cc1cc(SCc2ccc(C(N)=[NH2+])cc2F)n(C)n1 ZINC000052310072 525436842 /nfs/dbraw/zinc/43/68/42/525436842.db2.gz KYBOUEYRPNNTHM-UHFFFAOYSA-N 1 0 278.356 2.444 10 0 CEAERO Cc1nc[nH]c1CNC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000054797030 525460854 /nfs/dbraw/zinc/46/08/54/525460854.db2.gz BUMLDXLKAJCJNE-IUODEOHRSA-N 1 0 264.417 2.318 10 0 CEAERO Cc1ccn(-c2nc3sccn3c2C[NH2+]C2CC2)n1 ZINC000052884775 525568317 /nfs/dbraw/zinc/56/83/17/525568317.db2.gz VGJUNPWSNWJLJN-UHFFFAOYSA-N 1 0 273.365 2.142 10 0 CEAERO C[C@@H](N[C@@H](C)CC[NH+](C)C)c1ccc2c(c1)NC(=O)CO2 ZINC000049553681 525595286 /nfs/dbraw/zinc/59/52/86/525595286.db2.gz UKKJRTPWPIPLEA-NWDGAFQWSA-N 1 0 291.395 2.008 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCS(=O)(=O)C1)c1cnc2ccsc2c1 ZINC000068690317 525648765 /nfs/dbraw/zinc/64/87/65/525648765.db2.gz JTGPBSWBFSOFKJ-MWLCHTKSSA-N 1 0 296.417 2.134 10 0 CEAERO Cc1ccc(SC[C@]([NH2+]C2CC2)(C(N)=O)C2CC2)cc1 ZINC000069186127 525662549 /nfs/dbraw/zinc/66/25/49/525662549.db2.gz NBUKQBGTEVYJOV-MRXNPFEDSA-N 1 0 290.432 2.473 10 0 CEAERO CSC[C@H](C)C[NH2+]C[C@H](O)CO[C@@H](C)CC(C)C ZINC000069447278 525681108 /nfs/dbraw/zinc/68/11/08/525681108.db2.gz DFSMRHGTNHDKFF-RDBSUJKOSA-N 1 0 277.474 2.387 10 0 CEAERO Cc1cc2ncnn2c(NC[C@@H]([NH3+])c2ccccc2)c1 ZINC000062838638 525685885 /nfs/dbraw/zinc/68/58/85/525685885.db2.gz SXCIAKHHKOLHHM-CYBMUJFWSA-N 1 0 267.336 2.150 10 0 CEAERO Cc1c(Cl)cccc1OCC(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000158014562 525783880 /nfs/dbraw/zinc/78/38/80/525783880.db2.gz RNHDZEOOGTYHQJ-WCQYABFASA-N 1 0 296.798 2.271 10 0 CEAERO C[C@@]1(C(=O)N[C@@H](c2ccco2)c2ccccc2)CC[NH2+]C1 ZINC000062893070 525805860 /nfs/dbraw/zinc/80/58/60/525805860.db2.gz JSFOUEVZAOHYRC-NVXWUHKLSA-N 1 0 284.359 2.485 10 0 CEAERO Cc1ccc(-c2nnc(CN3[C@@H](C)C[NH2+]C[C@@H]3C)o2)cc1 ZINC000069134773 525844902 /nfs/dbraw/zinc/84/49/02/525844902.db2.gz PPBNRBPBWBBPHV-STQMWFEESA-N 1 0 286.379 2.227 10 0 CEAERO C[C@H](O)c1ccccc1NC(=O)CC1CC[NH2+]CC1 ZINC000049547379 525857755 /nfs/dbraw/zinc/85/77/55/525857755.db2.gz PRQRYYGIIYTZLD-NSHDSACASA-N 1 0 262.353 2.068 10 0 CEAERO C[C@H](O)c1ccccc1NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000049547268 525860900 /nfs/dbraw/zinc/86/09/00/525860900.db2.gz ASRGZRNKSIQKGL-WFASDCNBSA-N 1 0 284.359 2.248 10 0 CEAERO C[C@@H](O)c1ccccc1NC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000062860021 525873029 /nfs/dbraw/zinc/87/30/29/525873029.db2.gz UWSYSINUODIOOA-IAQYHMDHSA-N 1 0 262.353 2.068 10 0 CEAERO COc1cccc(CN2CCCC[C@H]2C[NH2+]C2CC2)n1 ZINC000070093905 525935820 /nfs/dbraw/zinc/93/58/20/525935820.db2.gz YVAMNUURPPMCMA-HNNXBMFYSA-N 1 0 275.396 2.197 10 0 CEAERO C[C@H](Oc1cccc2c1CC[C@H]2[NH3+])C(=O)NC1CCCC1 ZINC000062798668 525951745 /nfs/dbraw/zinc/95/17/45/525951745.db2.gz KWSUUMHIBLXPOK-XHDPSFHLSA-N 1 0 288.391 2.459 10 0 CEAERO Cc1ccc([C@H](C[NH3+])N(C)Cc2nccn2C)c(C)c1 ZINC000062249837 525952535 /nfs/dbraw/zinc/95/25/35/525952535.db2.gz YKLKPUDNNBYZAP-HNNXBMFYSA-N 1 0 272.396 2.169 10 0 CEAERO Cc1ccc([C@H](C[NH3+])Sc2n[nH]c(=O)n2C(C)C)s1 ZINC000061595138 525954649 /nfs/dbraw/zinc/95/46/49/525954649.db2.gz XWTRGDFGDIESGF-JTQLQIEISA-N 1 0 298.437 2.314 10 0 CEAERO Cc1ccc([C@H](Sc2nnc(C)o2)[C@@H](C)[NH3+])o1 ZINC000051037904 525978923 /nfs/dbraw/zinc/97/89/23/525978923.db2.gz KMPQGJQJLQWESR-GMSGAONNSA-N 1 0 253.327 2.460 10 0 CEAERO Cc1ccc(C(=O)N2CCC[C@H]2[C@@H]2CCC[NH2+]2)c(C)n1 ZINC000055331147 526106427 /nfs/dbraw/zinc/10/64/27/526106427.db2.gz ZIJPIDUMEIQIKV-GJZGRUSLSA-N 1 0 273.380 2.055 10 0 CEAERO COc1cccc(NC(=O)C[NH2+]C[C@@H](C)CSC)c1 ZINC000069447437 526176009 /nfs/dbraw/zinc/17/60/09/526176009.db2.gz SYDIYBZGXLCTHR-LLVKDONJSA-N 1 0 282.409 2.222 10 0 CEAERO Cc1ccc(C(=O)NCc2ccc(CC[NH3+])cc2)cc1 ZINC000052898908 526184211 /nfs/dbraw/zinc/18/42/11/526184211.db2.gz VSINOSZBYKWVTL-UHFFFAOYSA-N 1 0 268.360 2.426 10 0 CEAERO C[C@H](C(N)=S)[N@H+](C)CCCOc1ccccc1 ZINC000061815858 526195739 /nfs/dbraw/zinc/19/57/39/526195739.db2.gz LCVHYDAXCHLFMD-LLVKDONJSA-N 1 0 252.383 2.062 10 0 CEAERO Cc1ccc(C(=O)N[C@@H]2CCCCC[C@@H]2[NH3+])s1 ZINC000063211432 526199429 /nfs/dbraw/zinc/19/94/29/526199429.db2.gz GKWUFKIBONIAIW-WDEREUQCSA-N 1 0 252.383 2.446 10 0 CEAERO Cc1ccc(C(=O)Nc2ccc(C[NH3+])cc2)c(C)n1 ZINC000055329927 526220785 /nfs/dbraw/zinc/22/07/85/526220785.db2.gz RNFSUVJVTLEMGQ-UHFFFAOYSA-N 1 0 255.321 2.409 10 0 CEAERO Cc1nn(CC[NH2+]C2CC2)c(C)c1Br ZINC000050594620 526280461 /nfs/dbraw/zinc/28/04/61/526280461.db2.gz CKTKCAHWBWTLEG-UHFFFAOYSA-N 1 0 258.163 2.014 10 0 CEAERO C[C@@H]1CCC(=O)[C@H](C[N@@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000061653356 526237868 /nfs/dbraw/zinc/23/78/68/526237868.db2.gz CZEQUEGYXXTNMY-HZSPNIEDSA-N 1 0 252.402 2.018 10 0 CEAERO COc1cccc(O[C@@H](C)C[C@](C)([NH2+]C(C)C)C(N)=O)c1 ZINC000068655594 526239219 /nfs/dbraw/zinc/23/92/19/526239219.db2.gz LMXFFIPUQPCVLD-LRDDRELGSA-N 1 0 294.395 2.095 10 0 CEAERO C[C@H](CC(=O)N[C@@H]1COc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000156204911 526245745 /nfs/dbraw/zinc/24/57/45/526245745.db2.gz WNBHKDGPJQPBRT-UMVBOHGHSA-N 1 0 288.391 2.262 10 0 CEAERO COc1cccc(SCC[C@H]([NH2+]C(C)C)C(N)=O)c1 ZINC000062598590 526245765 /nfs/dbraw/zinc/24/57/65/526245765.db2.gz QOKLSSJZQQVETJ-ZDUSSCGKSA-N 1 0 282.409 2.029 10 0 CEAERO C[C@H]1CCCC[C@H]1NC(=O)C1CCC(C[NH3+])CC1 ZINC000055145761 526261239 /nfs/dbraw/zinc/26/12/39/526261239.db2.gz RJALPCAQQMQFGY-GFJIZPEISA-N 1 0 252.402 2.446 10 0 CEAERO Cc1nn(C[C@@H]2CC[C@H](C[NH2+]C3CC3)O2)c(C)c1Cl ZINC000052573971 526284774 /nfs/dbraw/zinc/28/47/74/526284774.db2.gz OZNLUCOLWLYYBR-OLZOCXBDSA-N 1 0 283.803 2.453 10 0 CEAERO Cc1nn(Cc2csc(C[NH3+])n2)c(C)c1Cl ZINC000052573906 526299364 /nfs/dbraw/zinc/29/93/64/526299364.db2.gz FUYHBCIAXLRGJE-UHFFFAOYSA-N 1 0 256.762 2.117 10 0 CEAERO Cc1nn(Cc2occc2C[NH3+])c(C)c1Br ZINC000052573613 526299847 /nfs/dbraw/zinc/29/98/47/526299847.db2.gz WLVVBIKYQTZKDX-UHFFFAOYSA-N 1 0 284.157 2.362 10 0 CEAERO Fc1ccc(-c2nnc(CC[NH2+]C3CC3)o2)cc1F ZINC000050620373 526317213 /nfs/dbraw/zinc/31/72/13/526317213.db2.gz UXALLLNDWOZLOC-UHFFFAOYSA-N 1 0 265.263 2.309 10 0 CEAERO Fc1ccc(-c2noc([C@@H]3C[NH2+]CCO3)n2)cc1Cl ZINC000062790952 526319867 /nfs/dbraw/zinc/31/98/67/526319867.db2.gz YMWDYDAYRXSHBR-JTQLQIEISA-N 1 0 283.690 2.190 10 0 CEAERO Cc1nnc(COc2cc(F)ccc2[C@H](C)[NH3+])o1 ZINC000062745355 526347320 /nfs/dbraw/zinc/34/73/20/526347320.db2.gz GFNLDFZBNBSPGI-ZETCQYMHSA-N 1 0 251.261 2.116 10 0 CEAERO Cc1csc(Cc2ncc(C[NH2+]C3CC3)cn2)n1 ZINC000055269961 526369091 /nfs/dbraw/zinc/36/90/91/526369091.db2.gz LFKAWVLIATXHLP-UHFFFAOYSA-N 1 0 260.366 2.084 10 0 CEAERO Cc1nnc(Sc2ccc(Cl)cc2C(N)=[NH2+])o1 ZINC000052860463 526391123 /nfs/dbraw/zinc/39/11/23/526391123.db2.gz RNMCGDSCMSQCQS-UHFFFAOYSA-N 1 0 268.729 2.467 10 0 CEAERO Fc1cccc2c1nc(CN1CCC[NH2+]CC1)n2C1CC1 ZINC000061145536 526403354 /nfs/dbraw/zinc/40/33/54/526403354.db2.gz AHPFZYOTCYTEFW-UHFFFAOYSA-N 1 0 288.370 2.306 10 0 CEAERO c1cc(C[NH+]2CCC3(COC3)CC2)cc2c1OCO2 ZINC000049111175 526422196 /nfs/dbraw/zinc/42/21/96/526422196.db2.gz JJCFZHYMXKPBRY-UHFFFAOYSA-N 1 0 261.321 2.028 10 0 CEAERO c1ccc([C@@H]2CN(Cc3ccncc3)CC[NH2+]2)cc1 ZINC000068693585 526492766 /nfs/dbraw/zinc/49/27/66/526492766.db2.gz PGRMTQPRAVDVKA-INIZCTEOSA-N 1 0 253.349 2.228 10 0 CEAERO O=C(CC[C@@H]1CCCC[NH2+]1)Nc1ccc2c(c1)OCO2 ZINC000050940813 526547890 /nfs/dbraw/zinc/54/78/90/526547890.db2.gz WFSZOJLLNPZTOZ-NSHDSACASA-N 1 0 276.336 2.276 10 0 CEAERO O=C(CC[C@H]1CCCC[NH2+]1)Nc1cccc2c[nH]nc21 ZINC000050945095 526565736 /nfs/dbraw/zinc/56/57/36/526565736.db2.gz FJHQCHZUTIEUDF-GFCCVEGCSA-N 1 0 272.352 2.424 10 0 CEAERO c1nc(N2CCO[C@H]3CCC[C@@H]32)sc1C[NH2+]C1CC1 ZINC000054907057 526602201 /nfs/dbraw/zinc/60/22/01/526602201.db2.gz BLIYGAKMIPGVBZ-STQMWFEESA-N 1 0 279.409 2.153 10 0 CEAERO O=C(CN1CCC[C@H]1[C@@H]1CCC[NH2+]1)NC1CCCCCC1 ZINC000051359510 526759036 /nfs/dbraw/zinc/75/90/36/526759036.db2.gz WIDQGGKEZCEYLF-HOTGVXAUSA-N 1 0 293.455 2.042 10 0 CEAERO Cc1oc(CN2CCOC[C@H]2C)cc1C[NH2+]C(C)C ZINC000052475810 526771083 /nfs/dbraw/zinc/77/10/83/526771083.db2.gz SWAPBIFGBOJVAO-GFCCVEGCSA-N 1 0 266.385 2.307 10 0 CEAERO NC(=[NH2+])c1ccc(-n2cc(-c3ccccc3)cn2)nc1 ZINC000054961480 526821970 /nfs/dbraw/zinc/82/19/70/526821970.db2.gz HIHVJSPHUIPVOI-UHFFFAOYSA-N 1 0 263.304 2.218 10 0 CEAERO NC(=[NH2+])c1ncccc1COc1cc(F)cc(F)c1 ZINC000061658886 526825626 /nfs/dbraw/zinc/82/56/26/526825626.db2.gz DMTHVUXBKIFKAX-UHFFFAOYSA-N 1 0 263.247 2.223 10 0 CEAERO O=C(C[NH2+][C@@H]1CCCc2sccc21)N1CCCC1 ZINC000061362584 526889211 /nfs/dbraw/zinc/88/92/11/526889211.db2.gz MBQUFUHQNUTWQL-GFCCVEGCSA-N 1 0 264.394 2.338 10 0 CEAERO Cc1nc(N(C)C)nc(C)c1CCC[NH2+]C(C)(C)C ZINC000054837862 526948556 /nfs/dbraw/zinc/94/85/56/526948556.db2.gz AWGVUEUQGGWQQX-UHFFFAOYSA-N 1 0 264.417 2.480 10 0 CEAERO NC(=O)Nc1ccc(NC(=O)CC[C@H]2CCCC[NH2+]2)cc1 ZINC000050944855 526948851 /nfs/dbraw/zinc/94/88/51/526948851.db2.gz GGHQCHYYRAKUIB-LLVKDONJSA-N 1 0 290.367 2.038 10 0 CEAERO Cc1nc(N2CCC[C@@H]2C[NH+](C)C)sc1[C@@H](C)O ZINC000061655531 526966137 /nfs/dbraw/zinc/96/61/37/526966137.db2.gz QVOGOMBJMZLFKR-GHMZBOCLSA-N 1 0 269.414 2.035 10 0 CEAERO Cc1nc(N2CCO[C@H]3CCCC[C@@H]32)sc1C[NH3+] ZINC000055001786 526972668 /nfs/dbraw/zinc/97/26/68/526972668.db2.gz QSOJLZNTWIKPIY-QWRGUYRKSA-N 1 0 267.398 2.058 10 0 CEAERO Cc1nc(N2C[C@@H](C)OC(C)(C)C2)sc1[C@@H](C)[NH3+] ZINC000054897634 526973696 /nfs/dbraw/zinc/97/36/96/526973696.db2.gz SZYCKBCFTTUKRY-RKDXNWHRSA-N 1 0 269.414 2.475 10 0 CEAERO Cc1nc(N2C[C@H](C)O[C@@H](C)C2)sc1C[NH2+]C1CC1 ZINC000054995462 526973835 /nfs/dbraw/zinc/97/38/35/526973835.db2.gz HNQHPGCVONJHEX-UWVGGRQHSA-N 1 0 281.425 2.317 10 0 CEAERO NC(=O)[C@]([NH3+])(CSc1ccc(Cl)cc1)C1CC1 ZINC000069185453 527016518 /nfs/dbraw/zinc/01/65/18/527016518.db2.gz FJKGOWVIAQKJSG-LBPRGKRZSA-N 1 0 270.785 2.025 10 0 CEAERO O=C1C[C@@H]([NH2+][C@H]2CCCc3sccc32)C(=O)N1C1CC1 ZINC000061361947 527020820 /nfs/dbraw/zinc/02/08/20/527020820.db2.gz AJKSNWKFWLBHRG-NWDGAFQWSA-N 1 0 290.388 2.005 10 0 CEAERO O=C(N[C@H]1C[C@H]1c1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000070255870 527083764 /nfs/dbraw/zinc/08/37/64/527083764.db2.gz WFXKKCDOURJXBV-KKUMJFAQSA-N 1 0 270.376 2.048 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1cccc(-n2cccn2)c1 ZINC000054306364 527119650 /nfs/dbraw/zinc/11/96/50/527119650.db2.gz LUSTYRADLMQXMJ-ZDUSSCGKSA-N 1 0 284.363 2.201 10 0 CEAERO NC(=S)c1c[nH+]c2ccccc2c1NC[C@@H]1CCOC1 ZINC000061147257 527122046 /nfs/dbraw/zinc/12/20/46/527122046.db2.gz MSDKKUXRDASLQA-JTQLQIEISA-N 1 0 287.388 2.317 10 0 CEAERO Cc1nc2cc(N3CC[C@H]([NH+](C)C)C3)c(N)cc2s1 ZINC000062965675 527123760 /nfs/dbraw/zinc/12/37/60/527123760.db2.gz AVHKABXRKRQBDS-JTQLQIEISA-N 1 0 276.409 2.327 10 0 CEAERO [NH3+]CCCN(C(=O)[C@H]1CCCCO1)c1ccc(F)cc1 ZINC000050958282 527177236 /nfs/dbraw/zinc/17/72/36/527177236.db2.gz WWQSVDSDINFPAY-CQSZACIVSA-N 1 0 280.343 2.077 10 0 CEAERO [NH3+]C[C@@H](NC(=O)CC[C@H]1CCCCO1)c1ccccc1 ZINC000069405601 527203847 /nfs/dbraw/zinc/20/38/47/527203847.db2.gz CQWQUWKPAOKBSE-HUUCEWRRSA-N 1 0 276.380 2.152 10 0 CEAERO [NH3+]C[C@@H](Oc1cc(F)cc(F)c1)c1cccnc1 ZINC000054932442 527205779 /nfs/dbraw/zinc/20/57/79/527205779.db2.gz AEPPRWRZSVHEIC-CYBMUJFWSA-N 1 0 250.248 2.439 10 0 CEAERO Cn1cc(C[C@H]([NH3+])Cc2ccccc2Br)cn1 ZINC000055335169 527233040 /nfs/dbraw/zinc/23/30/40/527233040.db2.gz WMEYWCWEWDCQEA-LBPRGKRZSA-N 1 0 294.196 2.295 10 0 CEAERO [NH3+]Cc1c(N2Cc3ccccc3C2)nc2sccn12 ZINC000050911780 527242839 /nfs/dbraw/zinc/24/28/39/527242839.db2.gz STAFJSCXHOFWQE-UHFFFAOYSA-N 1 0 270.361 2.375 10 0 CEAERO [NH3+]C[C@]1(N(Cc2cccs2)C2CC2)CN2CCC1CC2 ZINC000049023949 527243257 /nfs/dbraw/zinc/24/32/57/527243257.db2.gz GJVWSEWTYUWESJ-INIZCTEOSA-N 1 0 291.464 2.136 10 0 CEAERO [NH3+]C[C@]1(Cc2sccc2Br)CCOC1 ZINC000054637737 527243770 /nfs/dbraw/zinc/24/37/70/527243770.db2.gz GSKLGZQNAZZXDJ-SNVBAGLBSA-N 1 0 276.199 2.419 10 0 CEAERO [NH3+]Cc1cc(CN2CCc3sccc3C2)ccn1 ZINC000068749532 527248077 /nfs/dbraw/zinc/24/80/77/527248077.db2.gz LZRXTBKWGGQEBR-UHFFFAOYSA-N 1 0 259.378 2.160 10 0 CEAERO [NH3+]Cc1cc(Cl)ccc1N1CCCC[C@H]1CO ZINC000052856993 527248567 /nfs/dbraw/zinc/24/85/67/527248567.db2.gz AIURULJEKPPUEY-LBPRGKRZSA-N 1 0 254.761 2.150 10 0 CEAERO [NH3+]Cc1ccc(OC[C@@H](O)C(F)(F)F)c(Cl)c1 ZINC000068875272 527257620 /nfs/dbraw/zinc/25/76/20/527257620.db2.gz OWLMHZKVCUGRID-SECBINFHSA-N 1 0 269.650 2.101 10 0 CEAERO [NH3+]Cc1ncccc1COc1ccc2c(c1)CCC(=O)N2 ZINC000061657190 527266669 /nfs/dbraw/zinc/26/66/69/527266669.db2.gz VYIXWSDWSTULEF-UHFFFAOYSA-N 1 0 283.331 2.004 10 0 CEAERO [NH3+][C@@H](Cc1ccc(O)cc1)c1nc(-c2cccs2)n[nH]1 ZINC000054700174 527336846 /nfs/dbraw/zinc/33/68/46/527336846.db2.gz DUHLXTQSOUMYGS-NSHDSACASA-N 1 0 286.360 2.481 10 0 CEAERO [NH3+][C@@H](c1ccccc1)[C@H](O)c1ccc2c(c1)CCO2 ZINC000054681990 527339560 /nfs/dbraw/zinc/33/95/60/527339560.db2.gz MVPKUYUFMCYWBS-JKSUJKDBSA-N 1 0 255.317 2.355 10 0 CEAERO [NH3+][C@@H]1CCCN(c2ccccc2OCC2CCOCC2)C1 ZINC000052175080 527347781 /nfs/dbraw/zinc/34/77/81/527347781.db2.gz YLJXSSILFZPLAK-OAHLLOKOSA-N 1 0 290.407 2.420 10 0 CEAERO [NH3+][C@H]1CCCCC[C@H]1NC(=O)c1ccc(Cl)cc1O ZINC000063211752 527394843 /nfs/dbraw/zinc/39/48/43/527394843.db2.gz PRPIONIWGWJHTI-NWDGAFQWSA-N 1 0 282.771 2.435 10 0 CEAERO Cc1nccn1CCN1C[C@H](C)[NH2+]C[C@@H]1c1ccccc1 ZINC000068699012 527426830 /nfs/dbraw/zinc/42/68/30/527426830.db2.gz KYWZDBAHDGLSRJ-WMLDXEAASA-N 1 0 284.407 2.227 10 0 CEAERO Nc1ccc(=O)n(CC[NH+]2CCC3(CCCCC3)CC2)c1 ZINC000061817987 527466382 /nfs/dbraw/zinc/46/63/82/527466382.db2.gz ZZGUIUMKWYOUNM-UHFFFAOYSA-N 1 0 289.423 2.477 10 0 CEAERO Nc1ccc(CN2CC[C@@H]([NH+]3CCCC3)C2)cc1F ZINC000063011637 527481829 /nfs/dbraw/zinc/48/18/29/527481829.db2.gz XUKQUZSMCMZLSG-CYBMUJFWSA-N 1 0 263.360 2.078 10 0 CEAERO Nc1ccccc1C[N@H+](CCO)Cc1ccccc1 ZINC000050513807 527527500 /nfs/dbraw/zinc/52/75/00/527527500.db2.gz PYZVEIJJWSGRIY-UHFFFAOYSA-N 1 0 256.349 2.263 10 0 CEAERO OCCn1cc(C[NH2+][C@H]2CCCC[C@@H]2C(F)(F)F)cn1 ZINC000068691067 527576284 /nfs/dbraw/zinc/57/62/84/527576284.db2.gz XPCSPBURWFMRCK-RYUDHWBXSA-N 1 0 291.317 2.086 10 0 CEAERO OCCn1ncc2c1CCC[C@@H]2[NH2+]CC1CCCC1 ZINC000050271914 527577696 /nfs/dbraw/zinc/57/76/96/527577696.db2.gz QKRKUHRXFOYSCP-AWEZNQCLSA-N 1 0 263.385 2.033 10 0 CEAERO O=C([O-])CC[C@@H]1CCCC[N@@H+]1CCC[NH+]1CCCC1 ZINC000050925827 527596059 /nfs/dbraw/zinc/59/60/59/527596059.db2.gz ULVVEYUYPAPOIJ-AWEZNQCLSA-N 1 0 268.401 2.192 10 0 CEAERO O[C@@H](C[NH2+]C1CC1)c1ccc(F)c(Br)c1 ZINC000055029083 527651908 /nfs/dbraw/zinc/65/19/08/527651908.db2.gz YMWXPBIRKYYSHR-NSHDSACASA-N 1 0 274.133 2.374 10 0 CEAERO Cc1nn(C)c(N2CCCCC2)c1C[NH2+]CC(C)C ZINC000062734686 527676009 /nfs/dbraw/zinc/67/60/09/527676009.db2.gz OTBDXDWGLIZXTH-UHFFFAOYSA-N 1 0 264.417 2.464 10 0 CEAERO CCC[C@H](C(=O)N(C)Cc1ccc(OC)c(O)c1)[NH+](C)C ZINC000154719173 527969375 /nfs/dbraw/zinc/96/93/75/527969375.db2.gz XTGBVPPBTSVVKT-CYBMUJFWSA-N 1 0 294.395 2.090 10 0 CEAERO COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCC[C@H]2O)cc1 ZINC000251005136 536526912 /nfs/dbraw/zinc/52/69/12/536526912.db2.gz RIPOXSYURLIGLR-JGGQBBKZSA-N 1 0 263.381 2.377 10 0 CEAERO CC(C)c1nccnc1NC1CC[NH+](C(C)C)CC1 ZINC000413039718 528359298 /nfs/dbraw/zinc/35/92/98/528359298.db2.gz SJWISNHJZRJYOQ-UHFFFAOYSA-N 1 0 262.401 2.307 10 0 CEAERO CCCNC(=O)C[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000097861405 528403682 /nfs/dbraw/zinc/40/36/82/528403682.db2.gz MYEGZWZNROATCN-UHFFFAOYSA-N 1 0 271.364 2.159 10 0 CEAERO CC(C)[C@H](C)CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000176628730 528947757 /nfs/dbraw/zinc/94/77/57/528947757.db2.gz VXOFGLWNTGRBEA-RDBSUJKOSA-N 1 0 269.433 2.306 10 0 CEAERO CC(C)[C@H](C)NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000175534897 528968222 /nfs/dbraw/zinc/96/82/22/528968222.db2.gz KNGZWTUVMLMTNP-XQQFMLRXSA-N 1 0 255.406 2.203 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCC1(CC)CC1 ZINC000176601562 529063668 /nfs/dbraw/zinc/06/36/68/529063668.db2.gz VIIQYIVFPARJHT-CYBMUJFWSA-N 1 0 267.417 2.302 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1nc(C(C)(C)C)no1 ZINC000175360006 529068621 /nfs/dbraw/zinc/06/86/21/529068621.db2.gz LMYOSCMZCKVHGQ-GFCCVEGCSA-N 1 0 280.416 2.283 10 0 CEAERO CCC[NH2+][C@@](C)(CO)CN1CCCc2ccccc21 ZINC000085238962 535188212 /nfs/dbraw/zinc/18/82/12/535188212.db2.gz SMSMPNZWHRSPKA-MRXNPFEDSA-N 1 0 262.397 2.190 10 0 CEAERO CC[NH+](CC)CCCN1CCC(Nc2cccnn2)CC1 ZINC000191784371 535509099 /nfs/dbraw/zinc/50/90/99/535509099.db2.gz ZCPBPHDYIQDHDR-UHFFFAOYSA-N 1 0 291.443 2.085 10 0 CEAERO CC[NH2+][C@H](C)c1c(F)cccc1N1CCNC(=O)[C@@H]1CC ZINC000110680302 535516675 /nfs/dbraw/zinc/51/66/75/535516675.db2.gz WDDKEPOBQXVZRG-YPMHNXCESA-N 1 0 293.386 2.211 10 0 CEAERO CC[NH2+][C@H]1CCCN(c2c(F)cc(F)cc2F)C1=O ZINC000088724120 535516744 /nfs/dbraw/zinc/51/67/44/535516744.db2.gz VDSSRLQCKRKWJM-NSHDSACASA-N 1 0 272.270 2.209 10 0 CEAERO CC[NH2+][C@H]1CCN(CCC(=O)NC2CC2)c2ccccc21 ZINC000071378232 535516790 /nfs/dbraw/zinc/51/67/90/535516790.db2.gz BCEBUIQOOLPLBO-HNNXBMFYSA-N 1 0 287.407 2.216 10 0 CEAERO CCNc1cc[nH+]c(CN2CC(=O)Nc3ccccc32)c1 ZINC000092418070 535527778 /nfs/dbraw/zinc/52/77/78/535527778.db2.gz NJANMLREMKLRIY-UHFFFAOYSA-N 1 0 282.347 2.472 10 0 CEAERO CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000037090045 535644600 /nfs/dbraw/zinc/64/46/00/535644600.db2.gz XNOHDVHIBLDRGD-MGPQQGTHSA-N 1 0 262.401 2.470 10 0 CEAERO CCCn1ncnc1CN1CC[C@H]([NH3+])c2ccccc21 ZINC000088584865 535645667 /nfs/dbraw/zinc/64/56/67/535645667.db2.gz WTMMDOIGAJNROZ-ZDUSSCGKSA-N 1 0 271.368 2.098 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@H](C)[C@@H](OC)c1ccc(F)cc1 ZINC000262592809 535677909 /nfs/dbraw/zinc/67/79/09/535677909.db2.gz VIHNFRRRZXWNLJ-DDTOSNHZSA-N 1 0 282.359 2.145 10 0 CEAERO CC[C@@](C)(O)C[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000123454973 536003970 /nfs/dbraw/zinc/00/39/70/536003970.db2.gz JQTDOVKSIZYGGO-CQSZACIVSA-N 1 0 283.803 2.018 10 0 CEAERO COc1cc(N2CCC[C@@H](C[NH2+]C(C)(C)C)C2)nc(C)n1 ZINC000090787319 536828634 /nfs/dbraw/zinc/82/86/34/536828634.db2.gz YCVVQVBPCNTMOP-ZDUSSCGKSA-N 1 0 292.427 2.398 10 0 CEAERO COc1ncnc(N2CCCC[C@H]2C[NH2+]C(C)C)c1C ZINC000090789053 536905096 /nfs/dbraw/zinc/90/50/96/536905096.db2.gz VKQMAFNAONRNJM-ZDUSSCGKSA-N 1 0 278.400 2.151 10 0 CEAERO COc1cccc2c1N(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)CCC2 ZINC000091545076 536958627 /nfs/dbraw/zinc/95/86/27/536958627.db2.gz JWXNLJBKDZLZQU-CHWSQXEVSA-N 1 0 274.364 2.102 10 0 CEAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(Cl)nc1 ZINC000757192265 574512151 /nfs/dbraw/zinc/51/21/51/574512151.db2.gz WQGRYGCGIMYZBL-MNOVXSKESA-N 1 0 282.771 2.380 10 0 CEAERO C[C@H]([C@H](C)O)N(C(=O)OC(C)(C)C)c1ccc(C[NH3+])nc1 ZINC000757136015 574510099 /nfs/dbraw/zinc/51/00/99/574510099.db2.gz XYBHCVUAVYFMHS-MNOVXSKESA-N 1 0 295.383 2.051 10 0 CEAERO CC(C)[C@H]1O[C@]2(CN3CCC2CC3)[NH2+]CC1(C)C ZINC000757143251 574510256 /nfs/dbraw/zinc/51/02/56/574510256.db2.gz MKWJVAXFVNOIMF-HIFRSBDPSA-N 1 0 252.402 2.079 10 0 CEAERO COC[C@@H](C)[NH2+]CCOc1ccc(F)cc1Cl ZINC000053586282 574577318 /nfs/dbraw/zinc/57/73/18/574577318.db2.gz WCVMAZCUARWIPK-SECBINFHSA-N 1 0 261.724 2.482 10 0 CEAERO Cc1cn2c([nH+]1)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C2 ZINC000236045020 570236912 /nfs/dbraw/zinc/23/69/12/570236912.db2.gz PGKPQHATEHQWES-RYUDHWBXSA-N 1 0 292.383 2.243 10 0 CEAERO CC[C@](C)(C[NH3+])[C@H](O)c1cnn(Cc2ccccc2)c1 ZINC000394456234 570282199 /nfs/dbraw/zinc/28/21/99/570282199.db2.gz RICSRCDEILZRKK-HZPDHXFCSA-N 1 0 273.380 2.340 10 0 CEAERO [NH3+]C1CC(C(=O)Nc2ccc(Br)cc2)C1 ZINC000258856630 628777034 /nfs/dbraw/zinc/77/70/34/628777034.db2.gz YCRIYGROPLOTEW-UHFFFAOYSA-N 1 0 269.142 2.125 10 0 CEAERO CN(Cc1ncccc1Br)[C@H]1CCC[NH2+]CC1 ZINC000310375729 625537454 /nfs/dbraw/zinc/53/74/54/625537454.db2.gz ZHZTTXGXGUBWAM-NSHDSACASA-N 1 0 298.228 2.418 10 0 CEAERO CC(C)CNC(=S)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000252895076 622618472 /nfs/dbraw/zinc/61/84/72/622618472.db2.gz YBCCWVUGBOKHLI-OLZOCXBDSA-N 1 0 269.458 2.076 10 0 CEAERO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)CCCCCCO ZINC000175777955 622873592 /nfs/dbraw/zinc/87/35/92/622873592.db2.gz QHVJYDQUSVGYPH-GFCCVEGCSA-N 1 0 259.390 2.201 10 0 CEAERO CCCCC[C@H](C)NC(=O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177767662 623367229 /nfs/dbraw/zinc/36/72/29/623367229.db2.gz XYNODQMDEAPBPW-JKSUJKDBSA-N 1 0 295.471 2.242 10 0 CEAERO c1ccc2c(c1)CC[C@@H]2c1noc([C@H]2CC[NH2+]C2)n1 ZINC000087997588 623408730 /nfs/dbraw/zinc/40/87/30/623408730.db2.gz OWHYUGGPHCBQKY-AAEUAGOBSA-N 1 0 255.321 2.225 10 0 CEAERO Nc1ncc(C[NH2+][C@@H]2CCOc3ccccc32)s1 ZINC000261693279 623429455 /nfs/dbraw/zinc/42/94/55/623429455.db2.gz IRVVICTZDBTXDF-LLVKDONJSA-N 1 0 261.350 2.339 10 0 CEAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C1CC1 ZINC000089150667 623463543 /nfs/dbraw/zinc/46/35/43/623463543.db2.gz UOLSUVBHQGECKG-IHRRRGAJSA-N 1 0 298.427 2.040 10 0 CEAERO CCN1CCC[C@H]([NH2+][C@@H]2C[C@@H](OC)C23CCC3)C1 ZINC000308367922 623641407 /nfs/dbraw/zinc/64/14/07/623641407.db2.gz MWDQVDWEUNCKBX-BFHYXJOUSA-N 1 0 252.402 2.018 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)Nc1ccccc1C(F)(F)F ZINC000234430046 624027853 /nfs/dbraw/zinc/02/78/53/624027853.db2.gz BMALUIZCUKFFNC-MRVPVSSYSA-N 1 0 275.274 2.435 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H]2CC2(Cl)Cl)C1 ZINC000247528021 624116525 /nfs/dbraw/zinc/11/65/25/624116525.db2.gz ZOAPCQGVFWQAKM-BBBLOLIVSA-N 1 0 279.211 2.025 10 0 CEAERO CC(=O)[C@H]1CCC[N@H+](CCc2scnc2C)C1 ZINC000111689956 624522543 /nfs/dbraw/zinc/52/25/43/624522543.db2.gz CFBHAYAUBLVDRL-LBPRGKRZSA-N 1 0 252.383 2.295 10 0 CEAERO C[NH2+]CCc1noc(-c2cccc(OC(F)F)c2)n1 ZINC000051850586 624622934 /nfs/dbraw/zinc/62/29/34/624622934.db2.gz HOWGGJNUGMTCNR-UHFFFAOYSA-N 1 0 269.251 2.100 10 0 CEAERO CCO[C@H]1CCC[N@H+](C[C@](C)(O)c2ccccc2)C1 ZINC000052097288 624773102 /nfs/dbraw/zinc/77/31/02/624773102.db2.gz AKSPNXUMOYYESY-HOTGVXAUSA-N 1 0 263.381 2.395 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1Nc1ccc(OC(F)F)cn1 ZINC000262247415 624813659 /nfs/dbraw/zinc/81/36/59/624813659.db2.gz PSSNUVKLAHMAAE-PSASIEDQSA-N 1 0 257.284 2.222 10 0 CEAERO COC[C@H]([NH3+])C(=O)N[C@H](C)c1cc(Cl)ccc1Cl ZINC000262278702 624904522 /nfs/dbraw/zinc/90/45/22/624904522.db2.gz LJQNFMKFCQYSAE-HQJQHLMTSA-N 1 0 291.178 2.144 10 0 CEAERO C[C@@H]1CN(c2ccncc2Br)CC[C@H]1[NH3+] ZINC000252829357 625116310 /nfs/dbraw/zinc/11/63/10/625116310.db2.gz KFIQVFMRROOOFR-PSASIEDQSA-N 1 0 270.174 2.018 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCC(C)(C)SC ZINC000177560632 625769429 /nfs/dbraw/zinc/76/94/29/625769429.db2.gz PDBPDCWLXBXNFW-GFCCVEGCSA-N 1 0 287.473 2.254 10 0 CEAERO O[C@H]1CCC[C@@H]([NH2+]Cc2cc(F)c(F)cc2F)C1 ZINC000225262937 627324257 /nfs/dbraw/zinc/32/42/57/627324257.db2.gz LOCGFHDKNULJMA-ZJUUUORDSA-N 1 0 259.271 2.497 10 0 CEAERO Oc1ccc(-c2noc(CC[C@H]3CCC[NH2+]3)n2)cc1 ZINC000311883559 627713094 /nfs/dbraw/zinc/71/30/94/627713094.db2.gz NNSSXBLYJWMUKY-LLVKDONJSA-N 1 0 259.309 2.127 10 0 CEAERO CC(=O)N1CC[C@H]([NH2+]C/C(Cl)=C\Cl)[C@H](C)C1 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294.439 2.454 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ncc(C(F)(F)F)s3)C[C@@H]12 ZINC000261947715 629371262 /nfs/dbraw/zinc/37/12/62/629371262.db2.gz NMVLKQVGSWBFOJ-IWSPIJDZSA-N 1 0 291.342 2.331 10 0 CEAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1cc(Cl)ccc1F ZINC000142594759 630000333 /nfs/dbraw/zinc/00/03/33/630000333.db2.gz OQBOAYWPCLMDLJ-MNOVXSKESA-N 1 0 271.719 2.345 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC[NH+](CCCC(C)C)CC1 ZINC000263489489 631448258 /nfs/dbraw/zinc/44/82/58/631448258.db2.gz IDPDTTDNQODSOT-UHFFFAOYSA-N 1 0 270.417 2.294 10 0 CEAERO C[C@@H](O)C[N@@H+]1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1 ZINC000067649076 631659852 /nfs/dbraw/zinc/65/98/52/631659852.db2.gz FGYUGNGCPAXKEG-SNVBAGLBSA-N 1 0 291.782 2.469 10 0 CEAERO COc1ccc2c(c1)[nH]cc2C(=O)[C@@H]1CCCN1C ZINC000757177482 631829145 /nfs/dbraw/zinc/82/91/45/631829145.db2.gz LXQAQIMLVYRZEW-AWEZNQCLSA-N 1 0 258.321 2.453 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@@H]1c1nc(-c2cscn2)no1 ZINC000150260078 638074833 /nfs/dbraw/zinc/07/48/33/638074833.db2.gz UYWYLMGWEOOFQO-BDAKNGLRSA-N 1 0 264.354 2.426 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1c1nc(-c2cscn2)no1 ZINC000150260267 638075525 /nfs/dbraw/zinc/07/55/25/638075525.db2.gz UYWYLMGWEOOFQO-DTWKUNHWSA-N 1 0 264.354 2.426 10 0 CEAERO Cc1nc2ccccc2cc1C(=O)N[C@H]1C[NH+]2CCC1CC2 ZINC000222556088 639383598 /nfs/dbraw/zinc/38/35/98/639383598.db2.gz MIBZOLBDRZWSJY-KRWDZBQOSA-N 1 0 295.386 2.367 10 0 CEAERO Clc1csc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1 ZINC000165215307 639417757 /nfs/dbraw/zinc/41/77/57/639417757.db2.gz LPOBHFSYCICLMA-SECBINFHSA-N 1 0 257.790 2.471 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nc(Cl)cs1 ZINC000165215829 639418405 /nfs/dbraw/zinc/41/84/05/639418405.db2.gz JSWBSYJLTBWSBI-RKDXNWHRSA-N 1 0 257.790 2.469 10 0 CEAERO CCC(CC)(CNC(=O)[C@@H]1CC[C@H]([NH3+])C1)SC ZINC000226375644 639541339 /nfs/dbraw/zinc/54/13/39/639541339.db2.gz GZRWYSXXRJVXQX-MNOVXSKESA-N 1 0 258.431 2.152 10 0 CEAERO CO[C@H](c1noc(CC[C@H]2CCC[NH2+]C2)n1)C1CC1 ZINC000227329425 639584151 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ZINC000063084475 639822341 /nfs/dbraw/zinc/82/23/41/639822341.db2.gz ZNINJZPARZEIGZ-LLVKDONJSA-N 1 0 261.325 2.489 10 0 CEAERO Fc1ccccc1-c1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000063084739 639824242 /nfs/dbraw/zinc/82/42/42/639824242.db2.gz SLSVHHBAJFYCDX-SNVBAGLBSA-N 1 0 261.300 2.418 10 0 CEAERO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)/C=C/c1ccccc1 ZINC000063168211 639836470 /nfs/dbraw/zinc/83/64/70/639836470.db2.gz ULVUYLUDAAIUSH-PABFRNLHSA-N 1 0 294.420 2.061 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cnc(Cl)cn1 ZINC000231283015 639844888 /nfs/dbraw/zinc/84/48/88/639844888.db2.gz CXRWCYOHMNFHSX-LBPRGKRZSA-N 1 0 268.792 2.046 10 0 CEAERO CN(Cc1cccc(Cl)n1)[C@H]1CCC[NH2+]CC1 ZINC000231670591 639872227 /nfs/dbraw/zinc/87/22/27/639872227.db2.gz UNCSTWPHXCZZOM-LBPRGKRZSA-N 1 0 253.777 2.309 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)NC)c(Cl)c1 ZINC000152518457 640258181 /nfs/dbraw/zinc/25/81/81/640258181.db2.gz SIEKUMPOFSGMCQ-PRHODGIISA-N 1 0 297.786 2.012 10 0 CEAERO CNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000154385051 640880481 /nfs/dbraw/zinc/88/04/81/640880481.db2.gz XQZKPPTXPPMGGD-NSHDSACASA-N 1 0 291.395 2.090 10 0 CEAERO CCCc1nsc(N[C@@H](C[NH3+])C2CCCC2)n1 ZINC000233413080 641320456 /nfs/dbraw/zinc/32/04/56/641320456.db2.gz OHUKQYGVNNKGKX-JTQLQIEISA-N 1 0 254.403 2.420 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cnn(-c2ccccc2)n1 ZINC000175340451 641324291 /nfs/dbraw/zinc/32/42/91/641324291.db2.gz GLVPRYLVVVSTHA-KRWDZBQOSA-N 1 0 299.422 2.183 10 0 CEAERO C[NH+](C)[C@@H]1CCN(Cn2cc(-c3ccccc3)cn2)C1 ZINC000170842511 641338884 /nfs/dbraw/zinc/33/88/84/641338884.db2.gz CXBNFBWPUPPEIK-MRXNPFEDSA-N 1 0 270.380 2.144 10 0 CEAERO CCOc1cc(NCCCCCC[NH3+])nc(C)n1 ZINC000233788847 641339040 /nfs/dbraw/zinc/33/90/40/641339040.db2.gz IXMIOZIAGADDBH-UHFFFAOYSA-N 1 0 252.362 2.115 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(N)ccc1Cl ZINC000251671035 641569586 /nfs/dbraw/zinc/56/95/86/641569586.db2.gz HJHYPGJQSATJFR-PWSUYJOCSA-N 1 0 293.798 2.231 10 0 CEAERO C[C@@H]([NH2+]CCCOc1ccc(C#N)cc1)[C@H]1CCCO1 ZINC000183154998 641716685 /nfs/dbraw/zinc/71/66/85/641716685.db2.gz PFDUVHKRVCYYFI-CZUORRHYSA-N 1 0 274.364 2.484 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Cc2sc(=S)[nH]c2C)C1 ZINC000194642613 641912538 /nfs/dbraw/zinc/91/25/38/641912538.db2.gz BWIRQTGZXZDALU-SNVBAGLBSA-N 1 0 299.465 2.257 10 0 CEAERO C[C@@H]([NH2+]CC1CC(O)C1)c1cnn(-c2ccccc2)c1 ZINC000128955874 651689341 /nfs/dbraw/zinc/68/93/41/651689341.db2.gz WYAHYYYHPUECBO-VEAWUBTESA-N 1 0 271.364 2.294 10 0 CEAERO CC(C)c1ccc(NC(=O)C(C)(C)N2CC[NH2+]CC2)cc1 ZINC000129578760 652032875 /nfs/dbraw/zinc/03/28/75/652032875.db2.gz FBDZLFXELXXEIR-UHFFFAOYSA-N 1 0 289.423 2.432 10 0 CEAERO [NH3+]C1CCC(C(=O)Nc2ccc(Cl)nc2)CC1 ZINC000130699601 652316644 /nfs/dbraw/zinc/31/66/44/652316644.db2.gz OVRNUPYLZRWWHG-UHFFFAOYSA-N 1 0 253.733 2.191 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1ccc(Cl)nc1 ZINC000131104456 652379845 /nfs/dbraw/zinc/37/98/45/652379845.db2.gz BVDNGHRZCSZVLC-SCZZXKLOSA-N 1 0 253.733 2.049 10 0 CEAERO CCc1cnccc1-c1noc([C@H]2CCC[NH2+]C2)n1 ZINC000131967454 652484528 /nfs/dbraw/zinc/48/45/28/652484528.db2.gz CNSYDAVCLAPGSW-NSHDSACASA-N 1 0 258.325 2.161 10 0 CEAERO COC(=O)c1cc(NC(=O)[C@]2(C)CCCC[NH2+]2)ccc1F ZINC000136153700 653046233 /nfs/dbraw/zinc/04/62/33/653046233.db2.gz QJPCESRZTFMNQZ-HNNXBMFYSA-N 1 0 294.326 2.083 10 0 CEAERO Cc1ccccc1CS(=O)(=O)CCCC[C@H](C)[NH3+] ZINC000081984558 177912712 /nfs/dbraw/zinc/91/27/12/177912712.db2.gz YFIBPLBQLQXNDY-ZDUSSCGKSA-N 1 0 269.410 2.427 10 0 CEAERO CC1(C)CC[C@H]([NH3+])[C@H](S(=O)(=O)C2CCCC2)C1 ZINC000081989390 177914579 /nfs/dbraw/zinc/91/45/79/177914579.db2.gz MWTDTBUHJBSZRZ-NWDGAFQWSA-N 1 0 259.415 2.250 10 0 CEAERO O[C@@H](C[C@H]1CCC[N@@H+]1CCC1OCCO1)c1ccccc1 ZINC000124491592 187140415 /nfs/dbraw/zinc/14/04/15/187140415.db2.gz CNXBICPVWKULNQ-CVEARBPZSA-N 1 0 291.391 2.338 10 0 CEAERO Nc1cc[nH+]cc1C(=O)NCc1cccc(Cl)c1 ZINC000127627947 187320934 /nfs/dbraw/zinc/32/09/34/187320934.db2.gz LOWGDUUAALZTJS-UHFFFAOYSA-N 1 0 261.712 2.247 10 0 CEAERO CO[C@@H]1COC[C@@H]1[N@@H+]1CCSC2(CCCCC2)C1 ZINC000336199743 365525478 /nfs/dbraw/zinc/52/54/78/365525478.db2.gz QSJCMSZUNQATMS-QWHCGFSZSA-N 1 0 271.426 2.152 10 0 CEAERO [NH3+]CCc1cn2cc(Cl)cc(Br)c2n1 ZINC000082586074 178121453 /nfs/dbraw/zinc/12/14/53/178121453.db2.gz KXHKNPAIDFXAOZ-UHFFFAOYSA-N 1 0 274.549 2.251 10 0 CEAERO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2ccccc2C)n(C)n1 ZINC000121322314 365552787 /nfs/dbraw/zinc/55/27/87/365552787.db2.gz MVYCSGKBYKLEFH-ZDUSSCGKSA-N 1 0 286.379 2.326 10 0 CEAERO O=S1(=O)CC(CC[N@@H+]2CCC[C@@H]3CCCC[C@H]32)C1 ZINC000336427311 365574941 /nfs/dbraw/zinc/57/49/41/365574941.db2.gz NICCKRNERAYEEO-UONOGXRCSA-N 1 0 271.426 2.076 10 0 CEAERO CC1CCC(C[NH3+])(NS(=O)(=O)Cc2ccccc2)CC1 ZINC000034955492 361799057 /nfs/dbraw/zinc/79/90/57/361799057.db2.gz JHWHQKXWARROAM-UHFFFAOYSA-N 1 0 296.436 2.014 10 0 CEAERO c1c2nc([C@H]3CCC[NH2+]3)[nH]c2cc2c1OCCCO2 ZINC000034939119 361799217 /nfs/dbraw/zinc/79/92/17/361799217.db2.gz CXDYIZPSZZVNGW-SECBINFHSA-N 1 0 259.309 2.149 10 0 CEAERO Cn1cc([C@@H]([NH3+])c2cccc(Br)c2)cn1 ZINC000034957617 361800384 /nfs/dbraw/zinc/80/03/84/361800384.db2.gz HDCLLWGDKBAENC-NSHDSACASA-N 1 0 266.142 2.231 10 0 CEAERO C[C@@H]1CN(C(=O)c2occc2-c2ccccc2)C[C@@H]1[NH3+] ZINC000335483012 212158424 /nfs/dbraw/zinc/15/84/24/212158424.db2.gz HOKNPNSJVQOZIE-RISCZKNCSA-N 1 0 270.332 2.366 10 0 CEAERO Cc1nc(COC[C@@H]2CCC[C@]23C[NH2+]CCO3)cs1 ZINC000096063543 185084245 /nfs/dbraw/zinc/08/42/45/185084245.db2.gz NTPRQGJZDGNRAN-JSGCOSHPSA-N 1 0 282.409 2.127 10 0 CEAERO CCCCO[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])CCC)C1(C)C ZINC000121787997 365615490 /nfs/dbraw/zinc/61/54/90/365615490.db2.gz XTPGERIELNYMSV-FRRDWIJNSA-N 1 0 270.417 2.214 10 0 CEAERO C[C@@H]([NH3+])[C@@H](CO)Sc1ccc(Br)cc1 ZINC000082987970 178332693 /nfs/dbraw/zinc/33/26/93/178332693.db2.gz GRJGRXSJIJLHKR-GMSGAONNSA-N 1 0 276.199 2.249 10 0 CEAERO C[C@](O)(C[NH3+])CCSc1ccc(Br)cn1 ZINC000082917625 178329572 /nfs/dbraw/zinc/32/95/72/178329572.db2.gz MEKYFNOKGAUJNS-SNVBAGLBSA-N 1 0 291.214 2.036 10 0 CEAERO CC(C)[C@H]1C[NH2+]CCN1CCc1ccc(F)cc1 ZINC000083383632 178386312 /nfs/dbraw/zinc/38/63/12/178386312.db2.gz KCHSXQZPJFIQRE-OAHLLOKOSA-N 1 0 250.361 2.298 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C)CN1CCc1ccc(F)cc1 ZINC000083383583 178386415 /nfs/dbraw/zinc/38/64/15/178386415.db2.gz XZLHGDPVFZGPTQ-SWLSCSKDSA-N 1 0 250.361 2.441 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000449181896 282133622 /nfs/dbraw/zinc/13/36/22/282133622.db2.gz IZBATRSPZDNELF-GZBLMMOJSA-N 1 0 264.413 2.317 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000449181898 282133803 /nfs/dbraw/zinc/13/38/03/282133803.db2.gz IZBATRSPZDNELF-UXXRCYHCSA-N 1 0 264.413 2.317 10 0 CEAERO C[NH2+]C[C@@](C)(O)c1cc(Br)ccc1C ZINC000083255898 178371431 /nfs/dbraw/zinc/37/14/31/178371431.db2.gz KGCAJMVHYUXLIS-LLVKDONJSA-N 1 0 258.159 2.184 10 0 CEAERO C[NH2+]C[C@](C)(O)c1cc(Br)ccc1F ZINC000083255897 178371666 /nfs/dbraw/zinc/37/16/66/178371666.db2.gz FVQVKEQRJDZKDB-JTQLQIEISA-N 1 0 262.122 2.015 10 0 CEAERO [NH3+]CCSCC(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000096751753 185111245 /nfs/dbraw/zinc/11/12/45/185111245.db2.gz HMQWXMQXQZWQND-UHFFFAOYSA-N 1 0 294.298 2.216 10 0 CEAERO CC(C)CCN(C[C@](C)(CO)[NH2+]C(C)C)C1CC1 ZINC000096836931 185115335 /nfs/dbraw/zinc/11/53/35/185115335.db2.gz SPTREIOBJQBJLT-OAHLLOKOSA-N 1 0 256.434 2.246 10 0 CEAERO CN[C@@](C)(C[C@H](C)[N@H+](CCC(C)C)C1CC1)C(=O)OC ZINC000096818511 185115748 /nfs/dbraw/zinc/11/57/48/185115748.db2.gz GASAJDNAKIYXSL-BBRMVZONSA-N 1 0 284.444 2.427 10 0 CEAERO CC(C)CC[N@H+](C[C@@](N)(CO)c1ccccc1)C1CC1 ZINC000096836926 185115813 /nfs/dbraw/zinc/11/58/13/185115813.db2.gz XNXBSJJQGVUHFP-QGZVFWFLSA-N 1 0 276.424 2.343 10 0 CEAERO CCCC1(C(=O)NC[C@H](C)CSC)CC[NH2+]CC1 ZINC000083410974 178419033 /nfs/dbraw/zinc/41/90/33/178419033.db2.gz TUROWPYMGDHCKM-LBPRGKRZSA-N 1 0 272.458 2.272 10 0 CEAERO C[NH2+]C[C@@](C)(O)c1cc(OC)c(C(C)C)cc1OC ZINC000096889311 185123632 /nfs/dbraw/zinc/12/36/32/185123632.db2.gz VKTGNRDUVJZTCQ-OAHLLOKOSA-N 1 0 267.369 2.254 10 0 CEAERO CC[C@@H]([NH3+])[C@H](O)c1ccc(Br)cc1F ZINC000036779254 361856939 /nfs/dbraw/zinc/85/69/39/361856939.db2.gz MBVCZYYNKRJSCG-NXEZZACHSA-N 1 0 262.122 2.359 10 0 CEAERO C[C@@H]([NH2+]CC(=O)Nc1c(F)cccc1F)[C@@H]1CCCO1 ZINC000036823871 361861282 /nfs/dbraw/zinc/86/12/82/361861282.db2.gz CVXGIRHRUJWJGW-SKDRFNHKSA-N 1 0 284.306 2.060 10 0 CEAERO CC(C)([NH3+])[C@H](O)Cc1ccc(Br)cc1 ZINC000096951365 185139620 /nfs/dbraw/zinc/13/96/20/185139620.db2.gz OJVLGKCLLMGYQS-SNVBAGLBSA-N 1 0 258.159 2.090 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@H]2CCC[NH2+][C@H]2CC1 ZINC000096958463 185141331 /nfs/dbraw/zinc/14/13/31/185141331.db2.gz UZGIGGQFEUWWNK-NEPJUHHUSA-N 1 0 254.374 2.386 10 0 CEAERO C[C@@H]1C[C@@]2(C[N@@H+]1C)C[C@H](O)c1ccc(F)cc1O2 ZINC000097005826 185150980 /nfs/dbraw/zinc/15/09/80/185150980.db2.gz DPBKPPQLSFUTSC-LQJRIPTKSA-N 1 0 251.301 2.104 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cnc2c(cnn2C(C)C)c1 ZINC000040833453 362003648 /nfs/dbraw/zinc/00/36/48/362003648.db2.gz FRVXRQAPNQRUGS-ZWNOBZJWSA-N 1 0 289.383 2.324 10 0 CEAERO O=C(NC[C@@H]1CC[NH2+]C1)c1cscc1C(F)(F)F ZINC000621653955 349650888 /nfs/dbraw/zinc/65/08/88/349650888.db2.gz LREZBRMQDRAHEN-SSDOTTSWSA-N 1 0 278.299 2.106 10 0 CEAERO O=C(NC[C@H]1CC[NH2+]C1)c1cscc1C(F)(F)F ZINC000621653956 349651013 /nfs/dbraw/zinc/65/10/13/349651013.db2.gz LREZBRMQDRAHEN-ZETCQYMHSA-N 1 0 278.299 2.106 10 0 CEAERO Cc1ccc2c(c1Br)[C@@]1(C[C@@H]1[NH3+])CN2 ZINC000725247465 539192590 /nfs/dbraw/zinc/19/25/90/539192590.db2.gz NJSSIKHLCONILP-KWQFWETISA-N 1 0 253.143 2.152 10 0 CEAERO CCc1csc(N(C(=O)C(C)C)C2CC[NH2+]CC2)n1 ZINC000725241723 539190341 /nfs/dbraw/zinc/19/03/41/539190341.db2.gz NOUKNYWDVZCROO-UHFFFAOYSA-N 1 0 281.425 2.447 10 0 CEAERO CCC[C@@H](C)NC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000668541491 539194681 /nfs/dbraw/zinc/19/46/81/539194681.db2.gz PNVTUEVMZXXUGT-GFCCVEGCSA-N 1 0 267.417 2.349 10 0 CEAERO CC1(C)[C@H]([NH2+]CC2(CO)CCCCC2)[C@@H]2CCO[C@@H]21 ZINC000124794799 539210276 /nfs/dbraw/zinc/21/02/76/539210276.db2.gz ODAUXHXYUSKNJZ-MJBXVCDLSA-N 1 0 267.413 2.332 10 0 CEAERO CC(C)(C)NC(=O)N[C@@H]1CC[NH2+]CC[C@H]1C(F)(F)F ZINC000725262956 539212001 /nfs/dbraw/zinc/21/20/01/539212001.db2.gz WNOTUXMXFYUUFB-RKDXNWHRSA-N 1 0 281.322 2.015 10 0 CEAERO CC(C)(C)C(=O)N1CC[C@@H]2CC[C@@]21[C@@H]1CCC[NH2+]C1 ZINC000725263535 539212313 /nfs/dbraw/zinc/21/23/13/539212313.db2.gz OISRSRPRFPSRBJ-ZENOOKHLSA-N 1 0 264.413 2.413 10 0 CEAERO CC(C)(C)NC(=O)N1CC[C@@H]2CC[C@@]21[C@H]1CCC[NH2+]C1 ZINC000725263685 539212323 /nfs/dbraw/zinc/21/23/23/539212323.db2.gz ZNAPZNGYOWAWEM-XEZPLFJOSA-N 1 0 279.428 2.349 10 0 CEAERO CC(C)([NH3+])c1cn(-c2c(F)cccc2Br)nn1 ZINC000725264452 539212828 /nfs/dbraw/zinc/21/28/28/539212828.db2.gz OVSVMICADKHBMM-UHFFFAOYSA-N 1 0 299.147 2.363 10 0 CEAERO CCC(C)(C)NC(=O)N1CC[C@]2([NH3+])CCCC[C@@H]12 ZINC000725264591 539212933 /nfs/dbraw/zinc/21/29/33/539212933.db2.gz XPWIOAPIJUVSGU-BXUZGUMPSA-N 1 0 253.390 2.230 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)C1 ZINC000092051993 539229319 /nfs/dbraw/zinc/22/93/19/539229319.db2.gz UGEQYAXRFBQTGZ-BYNSBNAKSA-N 1 0 254.418 2.121 10 0 CEAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000282247161 539276770 /nfs/dbraw/zinc/27/67/70/539276770.db2.gz GKPPJDGVGMQLKK-SKDRFNHKSA-N 1 0 268.307 2.381 10 0 CEAERO C[NH+](C)C[C@H](NC(=O)c1ccnc(F)c1)c1ccccc1 ZINC000041040237 362014686 /nfs/dbraw/zinc/01/46/86/362014686.db2.gz JZLDDATUXHRNGC-AWEZNQCLSA-N 1 0 287.338 2.253 10 0 CEAERO C[NH2+]Cc1ccccc1N1C(=O)c2ccccc2C1=O ZINC000041157416 362022411 /nfs/dbraw/zinc/02/24/11/362022411.db2.gz IQAJZZGNKJYIKM-UHFFFAOYSA-N 1 0 266.300 2.207 10 0 CEAERO C[NH+]1CCC(Oc2ncccc2Br)CC1 ZINC000042376484 362090205 /nfs/dbraw/zinc/09/02/05/362090205.db2.gz KZJFVZPYEZIKSX-UHFFFAOYSA-N 1 0 271.158 2.317 10 0 CEAERO CC[C@H]([NH3+])[C@H](O)c1ccc(Br)s1 ZINC000043265231 362141495 /nfs/dbraw/zinc/14/14/95/362141495.db2.gz CISSCPVXUQTPAM-XNCJUZBTSA-N 1 0 250.161 2.281 10 0 CEAERO CC[C@H](O)C[NH+]1CCN([C@@H](C)c2cc(F)ccc2F)CC1 ZINC000174086269 529701748 /nfs/dbraw/zinc/70/17/48/529701748.db2.gz UWGQAIJKXUTSDM-JSGCOSHPSA-N 1 0 298.377 2.414 10 0 CEAERO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@H](CO)CC(C)C)c1 ZINC000040776983 343438347 /nfs/dbraw/zinc/43/83/47/343438347.db2.gz DTRJLFYUFXCZHF-JKSUJKDBSA-N 1 0 295.423 2.040 10 0 CEAERO O[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cccn3)cc2)C1 ZINC000037321379 343426692 /nfs/dbraw/zinc/42/66/92/343426692.db2.gz WZNDOYFDGCSLPK-GOEBONIOSA-N 1 0 271.364 2.265 10 0 CEAERO CC(C)[C@@H](C)NC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000047685808 362222362 /nfs/dbraw/zinc/22/23/62/362222362.db2.gz FSCNVLATLUQGNX-CQSZACIVSA-N 1 0 289.423 2.388 10 0 CEAERO CCC[C@@H](C(=O)Nc1ccc2c(c1)N(C)CCO2)[NH+](C)C ZINC000127020404 136385858 /nfs/dbraw/zinc/38/58/58/136385858.db2.gz FEAWDOVITCCQJJ-ZDUSSCGKSA-N 1 0 291.395 2.184 10 0 CEAERO Cc1cccc(CC[NH2+]C[C@@H](O)COCc2ccco2)c1 ZINC000051669998 343552265 /nfs/dbraw/zinc/55/22/65/343552265.db2.gz SFOCWFQDXLBJIC-MRXNPFEDSA-N 1 0 289.375 2.298 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)NCc1ccc(OC(F)F)cc1 ZINC000054308699 343587116 /nfs/dbraw/zinc/58/71/16/343587116.db2.gz RSYANVXOQCDMJY-GFCCVEGCSA-N 1 0 298.333 2.294 10 0 CEAERO CC(C)N(CC(F)F)C[C@@H](O)COC(C)(C)C ZINC000128086114 365774351 /nfs/dbraw/zinc/77/43/51/365774351.db2.gz MBEFUZJEQFCKAT-SNVBAGLBSA-N 1 0 253.333 2.138 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1cc(C(C)(C)C)[nH]n1 ZINC000228343794 539337526 /nfs/dbraw/zinc/33/75/26/539337526.db2.gz WKIKCFRPBVQQEF-VIFPVBQESA-N 1 0 252.362 2.019 10 0 CEAERO CC[C@@]1(C)COCC[N@@H+]1C[C@H](O)COCc1ccccc1 ZINC000336726303 365788480 /nfs/dbraw/zinc/78/84/80/365788480.db2.gz YMMGAGPBVQXIHZ-IRXDYDNUSA-N 1 0 293.407 2.065 10 0 CEAERO CC(C)[N@H+](C[C@@H](O)CN(C)Cc1ccccc1)C1CC1 ZINC000069608264 343789191 /nfs/dbraw/zinc/78/91/91/343789191.db2.gz QFEQEKSMJZFACY-KRWDZBQOSA-N 1 0 276.424 2.352 10 0 CEAERO Cn1ncnc1CNc1cc[nH+]c2cc(F)ccc12 ZINC000078677526 343961393 /nfs/dbraw/zinc/96/13/93/343961393.db2.gz JJRQEAFBWSSUID-UHFFFAOYSA-N 1 0 257.272 2.115 10 0 CEAERO O=S(=O)(c1cccc(Cl)c1Cl)[C@H]1CC[NH2+]C1 ZINC000083308294 344076828 /nfs/dbraw/zinc/07/68/28/344076828.db2.gz IPSMZAYLIAYWQZ-ZETCQYMHSA-N 1 0 280.176 2.129 10 0 CEAERO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCc2ccccc2)cc1 ZINC000105908930 344257309 /nfs/dbraw/zinc/25/73/09/344257309.db2.gz IOVQTQKDTPGRNC-MRXNPFEDSA-N 1 0 286.331 2.461 10 0 CEAERO COc1ccc(C[C@@H](C)[NH2+]CCn2cc(C)cn2)cc1 ZINC000124030514 344313148 /nfs/dbraw/zinc/31/31/48/344313148.db2.gz PETREHGFMHLJNV-CQSZACIVSA-N 1 0 273.380 2.421 10 0 CEAERO O=C(C[NH2+][C@H]1CCCC[C@H]1C(F)(F)F)N1CCCC1 ZINC000128824811 344338296 /nfs/dbraw/zinc/33/82/96/344338296.db2.gz WAOHAKIIWZXPPT-MNOVXSKESA-N 1 0 278.318 2.320 10 0 CEAERO CC(C)Oc1cncc(N(C)CC[C@H]([NH3+])C(C)C)n1 ZINC000133616804 344369647 /nfs/dbraw/zinc/36/96/47/344369647.db2.gz ALSVNWSQLHITFS-LBPRGKRZSA-N 1 0 266.389 2.073 10 0 CEAERO C[C@H]([NH3+])Cc1nc2cccc(Br)c2o1 ZINC000133968471 344371445 /nfs/dbraw/zinc/37/14/45/344371445.db2.gz QPEAXAWYQJUXKP-LURJTMIESA-N 1 0 255.115 2.480 10 0 CEAERO CCN1CCO[C@@H](CNc2cc[nH+]c3ccccc23)C1 ZINC000134510195 344374890 /nfs/dbraw/zinc/37/48/90/344374890.db2.gz GHKWUKSBHJIHLR-ZDUSSCGKSA-N 1 0 271.364 2.367 10 0 CEAERO Cc1c(Cl)cccc1OCC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000134795638 344377003 /nfs/dbraw/zinc/37/70/03/344377003.db2.gz XPRBYPYROVJDPF-GFCCVEGCSA-N 1 0 296.798 2.190 10 0 CEAERO C[N@H+](CCCNC(=O)[C@@]1(C)CCCC[NH2+]1)C1CCCCC1 ZINC000136199854 344384027 /nfs/dbraw/zinc/38/40/27/344384027.db2.gz VSQWPUBXFMFZKO-QGZVFWFLSA-N 1 0 295.471 2.289 10 0 CEAERO COC(=O)c1ccc(F)c(NC(=O)[C@]2(C)CCCC[NH2+]2)c1 ZINC000136153798 344384219 /nfs/dbraw/zinc/38/42/19/344384219.db2.gz HSWQKQBCNYVKHT-HNNXBMFYSA-N 1 0 294.326 2.083 10 0 CEAERO COc1cc2c(cc1CN1CCCC[C@@H]1C[NH3+])O[C@H](C)C2 ZINC000159091103 344453393 /nfs/dbraw/zinc/45/33/93/344453393.db2.gz ITHHJSGSOVPWIG-IUODEOHRSA-N 1 0 290.407 2.332 10 0 CEAERO [NH3+]C[C@@H]1CC[C@@H]1Cc1ccc(Br)cn1 ZINC000161926249 344465921 /nfs/dbraw/zinc/46/59/21/344465921.db2.gz RGFSBJIIYALYON-BDAKNGLRSA-N 1 0 255.159 2.372 10 0 CEAERO C[N@@H+]1CC[C@H](CNc2cncc(Br)c2)C1 ZINC000168224056 344479739 /nfs/dbraw/zinc/47/97/39/344479739.db2.gz MUXAGEGJGSWMGR-SECBINFHSA-N 1 0 270.174 2.208 10 0 CEAERO O=C(C1CC1)N1CCC[C@@H](C[NH+]2CCCC2)CC1 ZINC000169792464 344483084 /nfs/dbraw/zinc/48/30/84/344483084.db2.gz NFSIGWXMSQOKAU-CYBMUJFWSA-N 1 0 250.386 2.121 10 0 CEAERO CC(C)COc1cccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000170860219 344491772 /nfs/dbraw/zinc/49/17/72/344491772.db2.gz OFHBUPYTRFVENM-OAHLLOKOSA-N 1 0 290.407 2.498 10 0 CEAERO C[C@H]1CCC[C@@](C[NH2+][C@@H]2CCCC[C@H]2O)(N(C)C)C1 ZINC000226227001 344548452 /nfs/dbraw/zinc/54/84/52/344548452.db2.gz CLXKXEXOWISDTA-ZJIFWQFVSA-N 1 0 268.445 2.390 10 0 CEAERO O=C(c1sccc1Br)[C@@H]1CC[NH2+]C1 ZINC000226329598 344549076 /nfs/dbraw/zinc/54/90/76/344549076.db2.gz QYFQJAOCMFWDJB-ZCFIWIBFSA-N 1 0 260.156 2.303 10 0 CEAERO CN(C(=O)CC1CCSCC1)[C@@H]1CCC[NH2+]CC1 ZINC000226456343 344550305 /nfs/dbraw/zinc/55/03/05/344550305.db2.gz KQYKNZWWBLHSGP-CYBMUJFWSA-N 1 0 270.442 2.120 10 0 CEAERO CC(C)CCOc1ccc(C[NH2+][C@@H]2CCCNC2=O)cc1 ZINC000050394758 362418797 /nfs/dbraw/zinc/41/87/97/362418797.db2.gz NAFYGYKZUOLETI-MRXNPFEDSA-N 1 0 290.407 2.480 10 0 CEAERO Cc1ccnc(NC2(C[NH3+])CC2)c1Br ZINC000235929760 344593335 /nfs/dbraw/zinc/59/33/35/344593335.db2.gz MOEPUIIJMIVYJP-UHFFFAOYSA-N 1 0 256.147 2.056 10 0 CEAERO [NH3+][C@@H]1CCOC[C@H]1Cc1cc(Br)cs1 ZINC000236311131 344595492 /nfs/dbraw/zinc/59/54/92/344595492.db2.gz MHYARFYXAKFSCC-GMSGAONNSA-N 1 0 276.199 2.417 10 0 CEAERO CCC[C@@H]1C[C@H]1[NH2+]C[C@@H](O)COCc1cccs1 ZINC000233306649 344581062 /nfs/dbraw/zinc/58/10/62/344581062.db2.gz LGGHGPPHFYFYRU-YRGRVCCFSA-N 1 0 269.410 2.404 10 0 CEAERO CCS[C@@H]1CCC[C@H]1NC(=O)[C@H]([NH3+])CC(C)C ZINC000233829841 344582233 /nfs/dbraw/zinc/58/22/33/344582233.db2.gz GTLPKTUGYFKHRR-IJLUTSLNSA-N 1 0 258.431 2.150 10 0 CEAERO COc1ccccc1NC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000234908928 344588343 /nfs/dbraw/zinc/58/83/43/344588343.db2.gz LCLVXXUWGZKRSV-ZDUSSCGKSA-N 1 0 262.353 2.412 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N(C)C2CCCC2)C1 ZINC000246274278 344615499 /nfs/dbraw/zinc/61/54/99/344615499.db2.gz AUSDSGCKJKPICW-TZMCWYRMSA-N 1 0 267.417 2.299 10 0 CEAERO C[C@](O)(C[N@@H+]1CCCSCC1)c1ccccc1 ZINC000052097138 362464676 /nfs/dbraw/zinc/46/46/76/362464676.db2.gz OVFIINKKSAJMSS-AWEZNQCLSA-N 1 0 251.395 2.333 10 0 CEAERO CCSc1cc(C(=O)N[C@H]2CCC[N@H+](CC)C2)ccn1 ZINC000053150476 362484603 /nfs/dbraw/zinc/48/46/03/362484603.db2.gz CXFVMODRNPDGDO-ZDUSSCGKSA-N 1 0 293.436 2.408 10 0 CEAERO [NH3+]Cc1cnc(OC(F)(F)F)cc1Br ZINC000238570206 344606560 /nfs/dbraw/zinc/60/65/60/344606560.db2.gz GRSQMMAPYHTNKK-UHFFFAOYSA-N 1 0 271.036 2.201 10 0 CEAERO [NH3+][C@@H](CF)c1cccc(I)c1 ZINC000238575022 344607091 /nfs/dbraw/zinc/60/70/91/344607091.db2.gz NKOUTAOKPTVLIB-QMMMGPOBSA-N 1 0 265.069 2.261 10 0 CEAERO CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]([NH3+])C2)C1(CC)CC ZINC000262606212 344654807 /nfs/dbraw/zinc/65/48/07/344654807.db2.gz BNTFPLTZQDIZPJ-ZOBORPQBSA-N 1 0 282.428 2.214 10 0 CEAERO C[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000307655308 344723746 /nfs/dbraw/zinc/72/37/46/344723746.db2.gz OGQOGEGOIVBPHZ-SDDRHHMPSA-N 1 0 254.374 2.241 10 0 CEAERO [NH3+][C@@H]1CC[C@H]2CN(Cc3cc4c(c(Cl)c3)OCO4)C[C@H]12 ZINC000312737338 344739866 /nfs/dbraw/zinc/73/98/66/344739866.db2.gz UOVFXAOYHPSRCN-GMXVVIOVSA-N 1 0 294.782 2.238 10 0 CEAERO C[C@H]1CSC2(CCN(C(=O)OC(C)(C)C)CC2)[NH2+]1 ZINC000300895379 344701975 /nfs/dbraw/zinc/70/19/75/344701975.db2.gz VDAIDYULUDMVGG-JTQLQIEISA-N 1 0 272.414 2.439 10 0 CEAERO [NH3+]C[C@]1(CO)C[C@@H]1c1cc(Cl)sc1Cl ZINC000306239862 344712489 /nfs/dbraw/zinc/71/24/89/344712489.db2.gz QNLYCMJKIIOMMY-MUWHJKNJSA-N 1 0 252.166 2.480 10 0 CEAERO CCN1C(=[NH2+])NC[C@@H]1c1cscc1Br ZINC000306563943 344714566 /nfs/dbraw/zinc/71/45/66/344714566.db2.gz PXIRXMIVLZDJJD-MRVPVSSYSA-N 1 0 274.187 2.202 10 0 CEAERO CC[C@@H]1CC[C@@H]([NH3+])[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000306558189 344714661 /nfs/dbraw/zinc/71/46/61/344714661.db2.gz OQQGZFWOLGMXEH-LERXQTSPSA-N 1 0 272.348 2.189 10 0 CEAERO Cc1cc(C(C)C)nc(N2CC[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000229100354 539405312 /nfs/dbraw/zinc/40/53/12/539405312.db2.gz DXDUMHGNXKSEAK-YPMHNXCESA-N 1 0 262.401 2.330 10 0 CEAERO C[C@H]1CC[C@@H](CCN2C(=O)c3ccccc3C2=O)[NH2+]C1 ZINC000306801922 344717334 /nfs/dbraw/zinc/71/73/34/344717334.db2.gz SFCPUUQKAZMMAM-RYUDHWBXSA-N 1 0 272.348 2.061 10 0 CEAERO c1c(CN(C[C@@H]2CCC[NH2+]2)C2CC2)nc2ccccn12 ZINC000328654684 344757799 /nfs/dbraw/zinc/75/77/99/344757799.db2.gz XQOHXTGHQQRRRM-ZDUSSCGKSA-N 1 0 270.380 2.051 10 0 CEAERO CO[C@@H]1C[C@H](c2nc(C)no2)[N@H+](CCc2cccs2)C1 ZINC000328621262 344755872 /nfs/dbraw/zinc/75/58/72/344755872.db2.gz HQPSAWKQZOYCAB-DGCLKSJQSA-N 1 0 293.392 2.444 10 0 CEAERO CCC[C@@H](CC[NH3+])CCC(=O)Nc1cc(C)no1 ZINC000083709866 178722334 /nfs/dbraw/zinc/72/23/34/178722334.db2.gz YMDFKLAPMDCVPG-LLVKDONJSA-N 1 0 253.346 2.467 10 0 CEAERO COc1cc(N[C@@H]2CCC[NH2+][C@H]2C)c([N+](=O)[O-])cc1C ZINC000380612569 344823077 /nfs/dbraw/zinc/82/30/77/344823077.db2.gz QELDNTWRXWHKBX-WDEREUQCSA-N 1 0 279.340 2.464 10 0 CEAERO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1C[C@H]1CCC[C@H](O)C1 ZINC000380641148 344823276 /nfs/dbraw/zinc/82/32/76/344823276.db2.gz NBKAFFFQZAKSMC-MELADBBJSA-N 1 0 283.412 2.344 10 0 CEAERO [NH3+]C[C@]1(Cc2ccc(Br)cc2)CCC[C@@H]1O ZINC000083777294 178746079 /nfs/dbraw/zinc/74/60/79/178746079.db2.gz PLJDDIOVMPAHGE-QWHCGFSZSA-N 1 0 284.197 2.482 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H]1CC2CCC1CC2 ZINC000381668318 344824888 /nfs/dbraw/zinc/82/48/88/344824888.db2.gz KTBMTCNXMMSQJD-ASUPZPJHSA-N 1 0 252.402 2.445 10 0 CEAERO C[C@@H](CCC[NH3+])Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000381415038 344824941 /nfs/dbraw/zinc/82/49/41/344824941.db2.gz RASNVULAGQBLBE-VIFPVBQESA-N 1 0 275.312 2.077 10 0 CEAERO CC[C@H]1CN(c2c(F)cccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000388039730 344832903 /nfs/dbraw/zinc/83/29/03/344832903.db2.gz YMDXOPXQNQMTFZ-GXSJLCMTSA-N 1 0 267.304 2.298 10 0 CEAERO CCOC(=O)C[C@@]1([NH+](CC)CC)CCO[C@H](C)C1 ZINC000083855893 178754983 /nfs/dbraw/zinc/75/49/83/178754983.db2.gz YDNIIZAHRZTFDW-TZMCWYRMSA-N 1 0 257.374 2.219 10 0 CEAERO CC(C)[C@@H](C[NH3+])C(=O)Nc1ncccc1Br ZINC000083891801 178760010 /nfs/dbraw/zinc/76/00/10/178760010.db2.gz FRWMAKSLQQKXSA-MRVPVSSYSA-N 1 0 286.173 2.014 10 0 CEAERO [NH3+]Cc1ncoc1-c1nscc1Br ZINC000404758352 344882027 /nfs/dbraw/zinc/88/20/27/344882027.db2.gz CWBZFQSZDLLJSQ-UHFFFAOYSA-N 1 0 260.116 2.019 10 0 CEAERO [NH3+]Cc1coc(-c2nscc2Br)n1 ZINC000404793200 344882815 /nfs/dbraw/zinc/88/28/15/344882815.db2.gz GEALKXBJGZNILT-UHFFFAOYSA-N 1 0 260.116 2.019 10 0 CEAERO CC[NH2+][C@@H](CC)C[S@@](=O)c1cc(F)ccc1F ZINC000084037242 178776961 /nfs/dbraw/zinc/77/69/61/178776961.db2.gz XSHQTEHNOCPICP-BTDLBPIBSA-N 1 0 261.337 2.461 10 0 CEAERO COc1ccc([C@H](C)[NH3+])cc1C[S@@](=O)C1CCOCC1 ZINC000084053331 178779434 /nfs/dbraw/zinc/77/94/34/178779434.db2.gz QQPCXLORYPLBFW-YBTHPKLGSA-N 1 0 297.420 2.143 10 0 CEAERO CCOC(=O)[C@H](CC)N1CCCC[C@@H]1C[NH2+]CC(C)C ZINC000084107129 178793956 /nfs/dbraw/zinc/79/39/56/178793956.db2.gz JTIYNSQZGMFAOW-CABCVRRESA-N 1 0 284.444 2.428 10 0 CEAERO CC[NH2+][C@H](C)c1cccc(SC[C@H](O)COC)c1 ZINC000084125937 178798824 /nfs/dbraw/zinc/79/88/24/178798824.db2.gz OWEJSXMAECNMDR-DGCLKSJQSA-N 1 0 269.410 2.457 10 0 CEAERO CCNc1c(N)c[nH+]c2c(Br)ccc(OC)c12 ZINC000584882379 344996425 /nfs/dbraw/zinc/99/64/25/344996425.db2.gz FFEKKXWIFSIVAE-UHFFFAOYSA-N 1 0 296.168 2.442 10 0 CEAERO COCCn1c(CC2([NH3+])CCCC2)nc2ccccc21 ZINC000084143719 178801474 /nfs/dbraw/zinc/80/14/74/178801474.db2.gz DBRSKNHSNPJJKX-UHFFFAOYSA-N 1 0 273.380 2.497 10 0 CEAERO C[NH2+]C[C@H]1CCCN1c1nc2ccccc2nc1C ZINC000053703931 362497333 /nfs/dbraw/zinc/49/73/33/362497333.db2.gz ROBYEXVTZDSIJM-GFCCVEGCSA-N 1 0 256.353 2.126 10 0 CEAERO O=C(CC[N@H+]1CCC[C@H]1CCCO)c1ccccc1 ZINC000053932017 362502832 /nfs/dbraw/zinc/50/28/32/362502832.db2.gz IBGDELDNQNIXFI-HNNXBMFYSA-N 1 0 261.365 2.496 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1cc(F)cc(F)c1 ZINC000054290356 362521494 /nfs/dbraw/zinc/52/14/94/362521494.db2.gz ILXQLMVGTLQZTG-SECBINFHSA-N 1 0 254.280 2.293 10 0 CEAERO CCN(Cc1ccccc1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054290643 362522011 /nfs/dbraw/zinc/52/20/11/362522011.db2.gz CQNRKGQFOUKDSW-HNNXBMFYSA-N 1 0 260.381 2.425 10 0 CEAERO C[NH2+][C@H](C)C(=O)N(C)[C@@H](C)c1ccccc1Cl ZINC000054075033 362510547 /nfs/dbraw/zinc/51/05/47/362510547.db2.gz OADSHCPXRHCJAR-ZJUUUORDSA-N 1 0 254.761 2.467 10 0 CEAERO COc1ccc(N(C)C(=O)C[C@H]2CCC[NH2+]C2)cc1 ZINC000054292527 362523171 /nfs/dbraw/zinc/52/31/71/362523171.db2.gz MKTXCLDVBVYAQL-GFCCVEGCSA-N 1 0 262.353 2.048 10 0 CEAERO COc1ccc(F)cc1[C@@H](C)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054307394 362525639 /nfs/dbraw/zinc/52/56/39/362525639.db2.gz QCLOUUKCMAJDDQ-NEPJUHHUSA-N 1 0 294.370 2.401 10 0 CEAERO COc1ccc(F)cc1[C@@H](C)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054307396 362526630 /nfs/dbraw/zinc/52/66/30/362526630.db2.gz QCLOUUKCMAJDDQ-VXGBXAGGSA-N 1 0 294.370 2.401 10 0 CEAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1cn(C)nn1 ZINC000054859743 362539180 /nfs/dbraw/zinc/53/91/80/362539180.db2.gz UDNDBLJAROHVSE-KWCYVHTRSA-N 1 0 250.390 2.366 10 0 CEAERO CC[NH2+][C@H](CSC)Cc1c(Cl)c(C)nn1C ZINC000084273915 178839523 /nfs/dbraw/zinc/83/95/23/178839523.db2.gz ZILJCOMHGBDTSV-VIFPVBQESA-N 1 0 261.822 2.266 10 0 CEAERO Cc1nnc(-c2ccccc2NC(=O)[C@H]2CC[C@H]([NH3+])C2)o1 ZINC000097093674 185528931 /nfs/dbraw/zinc/52/89/31/185528931.db2.gz TWDMSPBMYZBQKO-QWRGUYRKSA-N 1 0 286.335 2.111 10 0 CEAERO CCC[C@@H](C)NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000591539184 345264096 /nfs/dbraw/zinc/26/40/96/345264096.db2.gz VADJDYWAWCYPPC-CHWSQXEVSA-N 1 0 253.390 2.055 10 0 CEAERO COC(=O)[C@](C)(N)C[C@@H](C)[N@H+](C)C1CCCCCC1 ZINC000084312499 178854772 /nfs/dbraw/zinc/85/47/72/178854772.db2.gz GJBHQBUGMZNYSA-IUODEOHRSA-N 1 0 270.417 2.310 10 0 CEAERO CCC1(C)CC[NH+]([C@@H](C)C[C@@](C)(N)C(=O)OC)CC1 ZINC000084356107 178867376 /nfs/dbraw/zinc/86/73/76/178867376.db2.gz HAKKYFKPNAUNCA-SWLSCSKDSA-N 1 0 270.417 2.168 10 0 CEAERO C[NH2+][C@@H](C)C[C@H](C)S(=O)(=O)c1ccccc1C ZINC000084357385 178868608 /nfs/dbraw/zinc/86/86/08/178868608.db2.gz MGLOCRABUNKXHF-RYUDHWBXSA-N 1 0 255.383 2.155 10 0 CEAERO OC[C@@]1(Cc2cccc(C(F)(F)F)c2)CC[NH2+]C1 ZINC000097154365 185550190 /nfs/dbraw/zinc/55/01/90/185550190.db2.gz HLBJZJGDZQVVBN-GFCCVEGCSA-N 1 0 259.271 2.220 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)CCc1c[nH]c2ccccc12 ZINC000229583192 539472191 /nfs/dbraw/zinc/47/21/91/539472191.db2.gz BKNFESBUROWJOO-SWLSCSKDSA-N 1 0 285.391 2.357 10 0 CEAERO COc1ccc([C@](O)(C[NH3+])c2ccccc2)cc1F ZINC000084624258 178905545 /nfs/dbraw/zinc/90/55/45/178905545.db2.gz LDQDHOLTEWWCME-HNNXBMFYSA-N 1 0 261.296 2.029 10 0 CEAERO CC[NH2+]C[C@](C)(O)c1ccccc1OC(F)(F)F ZINC000097210008 185564954 /nfs/dbraw/zinc/56/49/54/185564954.db2.gz JUNFKDTVKOJGGA-NSHDSACASA-N 1 0 263.259 2.402 10 0 CEAERO CCC[NH2+][C@@H](CCCS(=O)(=O)CC)C[C@@H](C)COC ZINC000097217822 185566680 /nfs/dbraw/zinc/56/66/80/185566680.db2.gz AUBORCOWZJJIKQ-KGLIPLIRSA-N 1 0 293.473 2.242 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH3+])c1cccc2ncccc21 ZINC000097217764 185566736 /nfs/dbraw/zinc/56/67/36/185566736.db2.gz UOTRSFPGVBIJSL-AWEZNQCLSA-N 1 0 292.404 2.450 10 0 CEAERO CCC[NH2+][C@@H](CCCOCC)CCCS(=O)(=O)CC ZINC000097218146 185567096 /nfs/dbraw/zinc/56/70/96/185567096.db2.gz LZBUUAJESNZLON-AWEZNQCLSA-N 1 0 293.473 2.386 10 0 CEAERO Cc1ccc(C)c(CN2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000128235240 187359528 /nfs/dbraw/zinc/35/95/28/187359528.db2.gz RVPCGFWWGVUIOG-INIZCTEOSA-N 1 0 262.397 2.066 10 0 CEAERO C[NH2+][C@H](Cc1cc(C)nn1C)CC1CCSCC1 ZINC000097273313 185575359 /nfs/dbraw/zinc/57/53/59/185575359.db2.gz URHKWMWDHZUVKU-ZDUSSCGKSA-N 1 0 267.442 2.392 10 0 CEAERO CCn1nc(C)cc1C[C@@H](COC(C)(C)C)[NH2+]C ZINC000097281366 185579329 /nfs/dbraw/zinc/57/93/29/185579329.db2.gz BPGSXLNHFKRPPN-LBPRGKRZSA-N 1 0 253.390 2.157 10 0 CEAERO Cc1cc(C[C@H]([NH3+])[C@H]2CSc3ccccc32)n(C)n1 ZINC000097273366 185575913 /nfs/dbraw/zinc/57/59/13/185575913.db2.gz MIFWKLJXWHEHCA-KBPBESRZSA-N 1 0 273.405 2.488 10 0 CEAERO Cc1cc(C[C@H]([NH3+])c2cccc(N(C)C)c2)n(C)n1 ZINC000097273214 185575930 /nfs/dbraw/zinc/57/59/30/185575930.db2.gz RLOQCHGLVUJNJI-HNNXBMFYSA-N 1 0 258.369 2.037 10 0 CEAERO CC[NH2+][C@H](Cc1ncnn1C(C)C)[C@@H]1CCSC1 ZINC000097277537 185577147 /nfs/dbraw/zinc/57/71/47/185577147.db2.gz ISLJTEMYZBFAAQ-VXGBXAGGSA-N 1 0 268.430 2.133 10 0 CEAERO CCC[NH2+][C@H](Cc1ncnn1CC)c1cccnc1C ZINC000097280307 185578330 /nfs/dbraw/zinc/57/83/30/185578330.db2.gz RKWDPJWXFWERMV-CQSZACIVSA-N 1 0 273.384 2.285 10 0 CEAERO CC(C)[NH2+]Cc1nnnn1C1C[C@H](C)C[C@H](C)C1 ZINC000084978140 178937476 /nfs/dbraw/zinc/93/74/76/178937476.db2.gz SQUYRWVKYGNLAI-FOSCPWQOSA-N 1 0 251.378 2.168 10 0 CEAERO CC[C@]1(C(=O)NC2C[C@H](C)C[C@H](C)C2)CC[NH2+]C1 ZINC000084977679 178937664 /nfs/dbraw/zinc/93/76/64/178937664.db2.gz OZBWZYIWTZRKJN-YOOVYSLHSA-N 1 0 252.402 2.317 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1)c1cccs1 ZINC000127508558 187312226 /nfs/dbraw/zinc/31/22/26/187312226.db2.gz UAJGBUMYVZWCOL-MXWKQRLJSA-N 1 0 252.383 2.313 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@H](C)C2CCCCC2)C1 ZINC000149476639 539501515 /nfs/dbraw/zinc/50/15/15/539501515.db2.gz TXPRUDMVHMKTCW-HIFRSBDPSA-N 1 0 254.418 2.266 10 0 CEAERO C[NH2+]CC[C@](C)(O)Cc1ccc(Br)cc1 ZINC000084997656 178941281 /nfs/dbraw/zinc/94/12/81/178941281.db2.gz GNCNSYHRBKEDFJ-LBPRGKRZSA-N 1 0 272.186 2.352 10 0 CEAERO [NH3+][C@H]1CC[C@@H](c2nnc3ccc(Br)cn32)C1 ZINC000085007787 178941962 /nfs/dbraw/zinc/94/19/62/178941962.db2.gz YNQOQOJJPPRBDB-APPZFPTMSA-N 1 0 281.157 2.087 10 0 CEAERO COC(=O)C[C@@](C)(c1cccc(OC)c1)C(C)(C)[NH3+] ZINC000097433923 185603520 /nfs/dbraw/zinc/60/35/20/185603520.db2.gz DUBMRQMVKUTTDR-HNNXBMFYSA-N 1 0 265.353 2.253 10 0 CEAERO COC(=O)C[C@@](C)(c1c(F)cccc1F)[C@@H](C)[NH3+] ZINC000097431193 185601212 /nfs/dbraw/zinc/60/12/12/185601212.db2.gz CDUJHNQUCHFNBK-AMIZOPFISA-N 1 0 257.280 2.133 10 0 CEAERO CCN(CC)CC[NH2+][C@](C)(CO)C1CCCCC1 ZINC000085134265 178954670 /nfs/dbraw/zinc/95/46/70/178954670.db2.gz LFPDEEDLPDUPFK-OAHLLOKOSA-N 1 0 256.434 2.249 10 0 CEAERO C[C@H](CO)CSc1cc(Cl)ccc1C(N)=[NH2+] ZINC000085139229 178955212 /nfs/dbraw/zinc/95/52/12/178955212.db2.gz HKCSDURALBMOHE-SSDOTTSWSA-N 1 0 258.774 2.345 10 0 CEAERO CC(C)(C)[NH+]1CCN(Cc2ccc(F)cc2N)CC1 ZINC000085144083 178955219 /nfs/dbraw/zinc/95/52/19/178955219.db2.gz NBISFZFVARSCEA-UHFFFAOYSA-N 1 0 265.376 2.324 10 0 CEAERO COC[C@H](C)C[C@H]([NH3+])c1c(OC)cccc1OC ZINC000097455756 185609394 /nfs/dbraw/zinc/60/93/94/185609394.db2.gz IZDMKKDWMWECKP-MNOVXSKESA-N 1 0 253.342 2.376 10 0 CEAERO C[C@@H](CC[NH3+])CNC(=O)c1cccc(C(F)(F)F)c1 ZINC000097440748 185604838 /nfs/dbraw/zinc/60/48/38/185604838.db2.gz VMSXPXXHLJRYOI-VIFPVBQESA-N 1 0 274.286 2.420 10 0 CEAERO CC[C@@H](C)n1ccc(CNCC(C)(C)[NH+](C)C)n1 ZINC000085173947 178962761 /nfs/dbraw/zinc/96/27/61/178962761.db2.gz QMHCRFOKBOXWOB-GFCCVEGCSA-N 1 0 252.406 2.284 10 0 CEAERO C[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1C(N)=S ZINC000085149065 178958706 /nfs/dbraw/zinc/95/87/06/178958706.db2.gz SOKDVWABJVGIMB-VIFPVBQESA-N 1 0 252.358 2.444 10 0 CEAERO CCOc1cccc(N2C[C@@H](CC)[NH2+]C[C@@H]2CC)n1 ZINC000086466115 136512551 /nfs/dbraw/zinc/51/25/51/136512551.db2.gz DNJJJKRYVCWNHK-OLZOCXBDSA-N 1 0 263.385 2.447 10 0 CEAERO C[C@@H](c1cn(-c2ccccc2)nn1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177498427 232357119 /nfs/dbraw/zinc/35/71/19/232357119.db2.gz SAUYDWCYJAWDOW-GOEBONIOSA-N 1 0 297.406 2.108 10 0 CEAERO CCOc1cc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)ccc1N ZINC000094457858 136513900 /nfs/dbraw/zinc/51/39/00/136513900.db2.gz AOOUMNMOLOOOBM-JSGCOSHPSA-N 1 0 275.396 2.340 10 0 CEAERO C[C@H]1C[C@H]([NH3+])CN(c2cc(C(F)(F)F)ccn2)C1 ZINC000094553397 136514180 /nfs/dbraw/zinc/51/41/80/136514180.db2.gz JSMQXMPGOLNRGG-WPRPVWTQSA-N 1 0 259.275 2.274 10 0 CEAERO COC(=O)c1ccccc1C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000128348210 187365484 /nfs/dbraw/zinc/36/54/84/187365484.db2.gz JOPNPXCYHWAWJT-CYBMUJFWSA-N 1 0 299.374 2.196 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@H](NN)c1cncc(C)c1 ZINC000097583734 185631268 /nfs/dbraw/zinc/63/12/68/185631268.db2.gz KCPAXQDKUFFFNT-HUUCEWRRSA-N 1 0 264.417 2.405 10 0 CEAERO CCN(Cc1ccc(Br)s1)C1C[NH2+]C1 ZINC000085258838 178990235 /nfs/dbraw/zinc/99/02/35/178990235.db2.gz JCHPQEIMLYGYEI-UHFFFAOYSA-N 1 0 275.215 2.304 10 0 CEAERO CCC[NH2+][C@H](CO)CN1CCC[C@H](C(C)(C)C)CC1 ZINC000085261510 178991019 /nfs/dbraw/zinc/99/10/19/178991019.db2.gz JUAYZTBQNGBBJY-GJZGRUSLSA-N 1 0 270.461 2.495 10 0 CEAERO CCC[NH2+][C@](C)(CO)COc1ccc2c(c1)CCC2 ZINC000085282572 179000325 /nfs/dbraw/zinc/00/03/25/179000325.db2.gz GSFKOCJNRKSUQK-MRXNPFEDSA-N 1 0 263.381 2.305 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)CCOc1ccc(F)cc1F ZINC000085283081 179000667 /nfs/dbraw/zinc/00/06/67/179000667.db2.gz LNYDMMKTYOLACP-CQSZACIVSA-N 1 0 273.323 2.483 10 0 CEAERO CC[NH2+][C@](C)(CO)C[C@H](C)Oc1ccc(F)cc1F ZINC000085283052 179000919 /nfs/dbraw/zinc/00/09/19/179000919.db2.gz IVFFXZWFECJDEJ-HZMBPMFUSA-N 1 0 273.323 2.483 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCOc1ccc(F)cc1F ZINC000085283077 179001126 /nfs/dbraw/zinc/00/11/26/179001126.db2.gz DPPZEZMEDDTTFW-CYBMUJFWSA-N 1 0 259.296 2.094 10 0 CEAERO Clc1cnc(N2C[C@H]3C[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC000085283549 179001415 /nfs/dbraw/zinc/00/14/15/179001415.db2.gz FNQQFNCIVJCUHH-HTQZYQBOSA-N 1 0 258.152 2.044 10 0 CEAERO CC[NH2+][C@](CO)(COc1ccc(C)cc1C)C1CC1 ZINC000085283407 179001572 /nfs/dbraw/zinc/00/15/72/179001572.db2.gz PDURWANWJBXWJJ-MRXNPFEDSA-N 1 0 263.381 2.433 10 0 CEAERO CCC[NH2+][C@@](C)(CO)COc1cccc(OCC)c1 ZINC000085265010 178995545 /nfs/dbraw/zinc/99/55/45/178995545.db2.gz SJAUMFBOWRYQMB-HNNXBMFYSA-N 1 0 267.369 2.215 10 0 CEAERO CC(C)[NH2+][C@](CO)(COc1ccc(F)cc1)C1CC1 ZINC000085285180 179002685 /nfs/dbraw/zinc/00/26/85/179002685.db2.gz XSCCICYWQXVAAZ-OAHLLOKOSA-N 1 0 267.344 2.344 10 0 CEAERO C[C@H](C[C@@](C)([NH3+])CO)OCCCc1ccccc1 ZINC000085266373 178996850 /nfs/dbraw/zinc/99/68/50/178996850.db2.gz UWTMKXXOAUGUTF-UKRRQHHQSA-N 1 0 251.370 2.124 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)C[C@H](C)OC[C@@H]1CCCCO1 ZINC000085269963 178998621 /nfs/dbraw/zinc/99/86/21/178998621.db2.gz VAMAWKRYLLUSOC-SOUVJXGZSA-N 1 0 273.417 2.100 10 0 CEAERO CCC[NH2+][C@](C)(CO)CCOc1ccc(OC)cc1 ZINC000085285604 179003378 /nfs/dbraw/zinc/00/33/78/179003378.db2.gz GUPRKOVVPJAWET-HNNXBMFYSA-N 1 0 267.369 2.215 10 0 CEAERO CCc1ccccc1OCC[C@H](CO)[NH2+]C(C)C ZINC000085286436 179003820 /nfs/dbraw/zinc/00/38/20/179003820.db2.gz YQXLICCQDAHSDJ-CQSZACIVSA-N 1 0 251.370 2.377 10 0 CEAERO Cc1ccc2cccc(OCC[C@@](C)([NH3+])CO)c2n1 ZINC000085286546 179003922 /nfs/dbraw/zinc/00/39/22/179003922.db2.gz ZYMLRUBGKQGDPW-OAHLLOKOSA-N 1 0 260.337 2.022 10 0 CEAERO C[NH2+][C@](C)(CO)CCOc1c(C)ccc(C)c1C ZINC000085286242 179004069 /nfs/dbraw/zinc/00/40/69/179004069.db2.gz IXBGXKQUFVFLPI-HNNXBMFYSA-N 1 0 251.370 2.351 10 0 CEAERO C[NH2+][C@](C)(CO)CCCOc1ccc(F)c(F)c1 ZINC000085286788 179004570 /nfs/dbraw/zinc/00/45/70/179004570.db2.gz QDUCOWXJPQAIEN-ZDUSSCGKSA-N 1 0 259.296 2.094 10 0 CEAERO CC[C@@H]1CCC[C@H](OC[C@@](C)(CO)[NH2+]C2CC2)C1 ZINC000085287337 179004652 /nfs/dbraw/zinc/00/46/52/179004652.db2.gz BDZYIYYNVVYJTA-VHDGCEQUSA-N 1 0 255.402 2.475 10 0 CEAERO CCC[NH2+][C@@](CO)(CSc1nccc(C)n1)C1CC1 ZINC000085287863 179004757 /nfs/dbraw/zinc/00/47/57/179004757.db2.gz DZGAMXJYVCIALS-AWEZNQCLSA-N 1 0 281.425 2.018 10 0 CEAERO C[NH2+][C@@](C)(CO)CCCCSC1CCOCC1 ZINC000085290154 179006799 /nfs/dbraw/zinc/00/67/99/179006799.db2.gz JLRMGOWXLYQXPA-CYBMUJFWSA-N 1 0 261.431 2.039 10 0 CEAERO C[NH2+][C@@](C)(CO)CSc1ccc(C(F)(F)F)cn1 ZINC000085291809 179007360 /nfs/dbraw/zinc/00/73/60/179007360.db2.gz DHPOLTAAXBRAFP-JTQLQIEISA-N 1 0 280.315 2.163 10 0 CEAERO CC(C)[NH2+][C@H](CO)CCSc1nc2ccccc2[nH]1 ZINC000085291749 179007383 /nfs/dbraw/zinc/00/73/83/179007383.db2.gz CWLAWTQZPVPQJO-NSHDSACASA-N 1 0 279.409 2.404 10 0 CEAERO C[NH2+][C@](CO)(CSc1nnc(C)s1)c1ccccc1 ZINC000085297086 179008612 /nfs/dbraw/zinc/00/86/12/179008612.db2.gz VBISQZSEDPZERY-CYBMUJFWSA-N 1 0 295.433 2.046 10 0 CEAERO C[NH2+][C@@](CO)(CSc1cccc(C)c1)C1CC1 ZINC000085297386 179008630 /nfs/dbraw/zinc/00/86/30/179008630.db2.gz VXKBZYQCXOJMPS-AWEZNQCLSA-N 1 0 251.395 2.448 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)C[C@@H](C)Sc1cnn(C)c1 ZINC000085297656 179009054 /nfs/dbraw/zinc/00/90/54/179009054.db2.gz VVPRVQXKWGAFJG-DGCLKSJQSA-N 1 0 271.430 2.040 10 0 CEAERO C[NH2+][C@@](C)(CO)CSc1nc2ccccc2s1 ZINC000085298789 179009259 /nfs/dbraw/zinc/00/92/59/179009259.db2.gz GMPOZTJGFFNRGU-LBPRGKRZSA-N 1 0 268.407 2.359 10 0 CEAERO OC[C@](COc1ccc(F)cc1)([NH2+]C1CC1)C1CC1 ZINC000085285184 179002889 /nfs/dbraw/zinc/00/28/89/179002889.db2.gz KJFQZOVHXBBHHJ-OAHLLOKOSA-N 1 0 265.328 2.098 10 0 CEAERO Cc1ccccc1OC[C@](CO)([NH2+]C1CC1)C1CC1 ZINC000085285047 179002895 /nfs/dbraw/zinc/00/28/95/179002895.db2.gz MIWSHUXJMNIVED-INIZCTEOSA-N 1 0 261.365 2.267 10 0 CEAERO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@](O)(CN)c1ccccc1 ZINC000085304272 179011603 /nfs/dbraw/zinc/01/16/03/179011603.db2.gz IKJCMQZWIZKTMS-LZWOXQAQSA-N 1 0 262.397 2.096 10 0 CEAERO C[C@@H](C[C@@](C)(O)C[NH3+])Oc1ccc2c(c1)CCCC2 ZINC000085305466 179011867 /nfs/dbraw/zinc/01/18/67/179011867.db2.gz URGCUGRCISKKRH-BLLLJJGKSA-N 1 0 263.381 2.433 10 0 CEAERO CC1CCC(OC[C@@](O)(C[NH3+])c2ccccc2)CC1 ZINC000085306044 179011906 /nfs/dbraw/zinc/01/19/06/179011906.db2.gz HUDQYPXECTXNRA-BCLQGDPASA-N 1 0 263.381 2.428 10 0 CEAERO C[C@@](O)(C[NH3+])CCCCOc1cc(F)cc(F)c1 ZINC000085304991 179012157 /nfs/dbraw/zinc/01/21/57/179012157.db2.gz XCIXEKKRGIXIJT-ZDUSSCGKSA-N 1 0 259.296 2.224 10 0 CEAERO C[C@@](O)(C[NH3+])CCCOc1ccc2c(c1)CCCC2 ZINC000085305452 179012240 /nfs/dbraw/zinc/01/22/40/179012240.db2.gz YYKJIGNAPMBJLN-INIZCTEOSA-N 1 0 263.381 2.434 10 0 CEAERO C[C@H](C[NH3+])SCC(=O)Nc1ccccc1Cl ZINC000085307086 179012485 /nfs/dbraw/zinc/01/24/85/179012485.db2.gz HSALQPSKTLNQQB-MRVPVSSYSA-N 1 0 258.774 2.359 10 0 CEAERO CC(C)(C)c1ccccc1OC[C@](O)(C[NH3+])C1CC1 ZINC000085306495 179012615 /nfs/dbraw/zinc/01/26/15/179012615.db2.gz XENURQABEUMWIO-MRXNPFEDSA-N 1 0 263.381 2.463 10 0 CEAERO CCC(C)(C)c1ccc(OC[C@](C)(O)C[NH3+])cc1 ZINC000085306925 179012633 /nfs/dbraw/zinc/01/26/33/179012633.db2.gz NIFUJFKLHDTGRC-OAHLLOKOSA-N 1 0 251.370 2.463 10 0 CEAERO C[C@H](C[NH3+])SCC(=O)N[C@@H](C)c1cccs1 ZINC000085306329 179012790 /nfs/dbraw/zinc/01/27/90/179012790.db2.gz ORJLIKBAIYKZOL-BDAKNGLRSA-N 1 0 258.412 2.006 10 0 CEAERO CCC(C)(C)c1ccc(OCC[C@H](O)C[NH3+])cc1 ZINC000085306915 179012795 /nfs/dbraw/zinc/01/27/95/179012795.db2.gz RVSXLBOKCSABEA-ZDUSSCGKSA-N 1 0 251.370 2.463 10 0 CEAERO [NH3+]C[C@@](O)(CSc1ccc(F)c(F)c1)C1CC1 ZINC000085320486 179014290 /nfs/dbraw/zinc/01/42/90/179014290.db2.gz CFPXIBCFHFSQAF-GFCCVEGCSA-N 1 0 259.321 2.157 10 0 CEAERO CCc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+](CC)C2)cc1 ZINC000060510945 362665110 /nfs/dbraw/zinc/66/51/10/362665110.db2.gz VHYBITZOLHYTCR-AWEZNQCLSA-N 1 0 296.436 2.012 10 0 CEAERO COc1cc(-c2noc([C@H]3CCC[C@@H]3[NH3+])n2)ccc1O ZINC000085325239 179017715 /nfs/dbraw/zinc/01/77/15/179017715.db2.gz ALRXCXQNXCYMKF-UWVGGRQHSA-N 1 0 275.308 2.046 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000085356215 179030242 /nfs/dbraw/zinc/03/02/42/179030242.db2.gz IYIAPTSYNQVMCQ-NXEZZACHSA-N 1 0 298.289 2.464 10 0 CEAERO COc1ccc(C)cc1NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085356308 179030396 /nfs/dbraw/zinc/03/03/96/179030396.db2.gz JVBZNBDLOWQTRC-RYUDHWBXSA-N 1 0 262.353 2.460 10 0 CEAERO CN(Cc1ccccc1F)C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085358710 179031071 /nfs/dbraw/zinc/03/10/71/179031071.db2.gz JJENDLLDNRGHDF-OCCSQVGLSA-N 1 0 264.344 2.302 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)N1CCC[C@@H]1c1ccccc1 ZINC000085358834 179031127 /nfs/dbraw/zinc/03/11/27/179031127.db2.gz MMTUNXDHOOSQSE-QLFBSQMISA-N 1 0 258.365 2.478 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1ccccc1OC(F)F ZINC000085358142 179031397 /nfs/dbraw/zinc/03/13/97/179031397.db2.gz KGZQBFYTIXQWRX-RKDXNWHRSA-N 1 0 270.279 2.354 10 0 CEAERO CN(Cc1ccc(F)cc1)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085358730 179031518 /nfs/dbraw/zinc/03/15/18/179031518.db2.gz VUWSYCQEUCCDLX-UONOGXRCSA-N 1 0 264.344 2.302 10 0 CEAERO Cc1ccc(-c2nnco2)cc1NC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085362065 179033464 /nfs/dbraw/zinc/03/34/64/179033464.db2.gz LWJOLMLVVMEDGI-VXGBXAGGSA-N 1 0 286.335 2.111 10 0 CEAERO CCN(CC)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])cn1 ZINC000085361991 179033746 /nfs/dbraw/zinc/03/37/46/179033746.db2.gz ZJMCKMPZVBLCLH-KGLIPLIRSA-N 1 0 290.411 2.384 10 0 CEAERO CCOc1ccc(NC(=O)[C@H]2CCC[C@H]2[NH3+])cc1OC ZINC000085362654 179034112 /nfs/dbraw/zinc/03/41/12/179034112.db2.gz IEAUCPIGPRDQSN-NWDGAFQWSA-N 1 0 278.352 2.160 10 0 CEAERO COC(=O)c1cc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])ccc1F ZINC000085362510 179034303 /nfs/dbraw/zinc/03/43/03/179034303.db2.gz HWHPJFVRMPIDCN-GWCFXTLKSA-N 1 0 294.326 2.068 10 0 CEAERO Cc1ccc(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])c(C)c1O ZINC000085363551 179034700 /nfs/dbraw/zinc/03/47/00/179034700.db2.gz DYNBTBKYICOLMT-VXGBXAGGSA-N 1 0 262.353 2.465 10 0 CEAERO [NH3+][C@@H]1COC[C@H]1c1nc2cc(Br)ccc2s1 ZINC000085352954 179029579 /nfs/dbraw/zinc/02/95/79/179029579.db2.gz CPYJUPLFOALELO-HTQZYQBOSA-N 1 0 299.193 2.500 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000085355697 179030098 /nfs/dbraw/zinc/03/00/98/179030098.db2.gz QYMYVOHPMSWPMN-OLZOCXBDSA-N 1 0 290.363 2.304 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000085355698 179030115 /nfs/dbraw/zinc/03/01/15/179030115.db2.gz QYMYVOHPMSWPMN-STQMWFEESA-N 1 0 290.363 2.304 10 0 CEAERO COc1ccc(OC)c(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000085356071 179030170 /nfs/dbraw/zinc/03/01/70/179030170.db2.gz UDXNQIZBVBHJHI-VXGBXAGGSA-N 1 0 278.352 2.160 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)N1CC=C(c2ccccc2)CC1 ZINC000085367803 179037427 /nfs/dbraw/zinc/03/74/27/179037427.db2.gz LFHSPUWOGNSDFE-CVEARBPZSA-N 1 0 270.376 2.430 10 0 CEAERO C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085367883 179037485 /nfs/dbraw/zinc/03/74/85/179037485.db2.gz RDSSYTISSXALNJ-LSJOCFKGSA-N 1 0 278.318 2.303 10 0 CEAERO COCCN(Cc1cccs1)C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085367557 179037742 /nfs/dbraw/zinc/03/77/42/179037742.db2.gz FFBUCMRMSAPKCV-KGLIPLIRSA-N 1 0 296.436 2.241 10 0 CEAERO CN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085367991 179037805 /nfs/dbraw/zinc/03/78/05/179037805.db2.gz BVOGQAXZOBLAEP-GWCFXTLKSA-N 1 0 268.307 2.051 10 0 CEAERO CN(CCCOc1ccccc1)C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085368342 179038052 /nfs/dbraw/zinc/03/80/52/179038052.db2.gz MXMOGIGXMYJQPJ-CVEARBPZSA-N 1 0 290.407 2.431 10 0 CEAERO COc1ccccc1CN(C)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085369685 179039756 /nfs/dbraw/zinc/03/97/56/179039756.db2.gz XDDMOKDHFBKWRP-UONOGXRCSA-N 1 0 276.380 2.171 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(-c2nnco2)cc1 ZINC000085370991 179041097 /nfs/dbraw/zinc/04/10/97/179041097.db2.gz SLZAEJFRMOMPCF-QWHCGFSZSA-N 1 0 286.335 2.193 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)NCCCn1ccc2ccccc21 ZINC000085371009 179041346 /nfs/dbraw/zinc/04/13/46/179041346.db2.gz SQXQYGQNQCQZKK-CABCVRRESA-N 1 0 285.391 2.275 10 0 CEAERO CC[C@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])c1cccs1 ZINC000085372653 179042130 /nfs/dbraw/zinc/04/21/30/179042130.db2.gz BZEWINNCAORIPY-VWYCJHECSA-N 1 0 252.383 2.443 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc2CC1 ZINC000085376220 179044767 /nfs/dbraw/zinc/04/47/67/179044767.db2.gz RTBVRDMRQWAFFL-HOTGVXAUSA-N 1 0 272.392 2.131 10 0 CEAERO CCOc1ccc([C@@H](C)NC(=O)[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000085364821 179036272 /nfs/dbraw/zinc/03/62/72/179036272.db2.gz GHXPCWXYQMBECM-UGFHNGPFSA-N 1 0 276.380 2.390 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)Nc1cccc(N2CCCC2)c1 ZINC000085365728 179036423 /nfs/dbraw/zinc/03/64/23/179036423.db2.gz GSMCWLOXBYRQPE-GJZGRUSLSA-N 1 0 273.380 2.353 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000085366121 179036476 /nfs/dbraw/zinc/03/64/76/179036476.db2.gz AUSBKTDKSJQUIS-TZMCWYRMSA-N 1 0 291.370 2.492 10 0 CEAERO CCOCc1ccccc1CNC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085365396 179036661 /nfs/dbraw/zinc/03/66/61/179036661.db2.gz KOWNSTXXFPBDMC-HOTGVXAUSA-N 1 0 290.407 2.357 10 0 CEAERO CC(C)CO[C@H]1C[C@H]([NH2+]C[C@@H]2CCOC2)C1(C)C ZINC000085400677 179052023 /nfs/dbraw/zinc/05/20/23/179052023.db2.gz KIIUKQMWZYOKDM-IHRRRGAJSA-N 1 0 255.402 2.452 10 0 CEAERO [NH3+]CC1(NS(=O)(=O)C2CCCC2)CCCCCCC1 ZINC000097834568 185672341 /nfs/dbraw/zinc/67/23/41/185672341.db2.gz ZDTDZPWJXGSZEI-UHFFFAOYSA-N 1 0 288.457 2.290 10 0 CEAERO Cc1c(Cl)ncnc1N1CCC(C[NH+](C)C)CC1 ZINC000111298151 136532029 /nfs/dbraw/zinc/53/20/29/136532029.db2.gz ZESOXAKAKQWWNM-UHFFFAOYSA-N 1 0 268.792 2.216 10 0 CEAERO CNC(=O)CC[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000085433871 179061362 /nfs/dbraw/zinc/06/13/62/179061362.db2.gz WJEKMAXAAPPQLY-VIFPVBQESA-N 1 0 263.366 2.083 10 0 CEAERO CCCCOCCN1CC[NH2+]C2(CCCCC2)C1 ZINC000085435389 179061819 /nfs/dbraw/zinc/06/18/19/179061819.db2.gz QKCLPXKVOOKYSN-UHFFFAOYSA-N 1 0 254.418 2.411 10 0 CEAERO CC(C)[C@H]1CN(Cc2ccccn2)[C@H](C2CC2)C[NH2+]1 ZINC000085467122 179072652 /nfs/dbraw/zinc/07/26/52/179072652.db2.gz ITYPKAOGPRTQJH-CVEARBPZSA-N 1 0 259.397 2.290 10 0 CEAERO OC[C@@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2Cl)C[C@H]1O ZINC000085468342 179073547 /nfs/dbraw/zinc/07/35/47/179073547.db2.gz FMNATSANXKTXJT-IGJMFERPSA-N 1 0 290.190 2.215 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@@H](C(C)C)CN1Cc1cnn(C)c1 ZINC000085468098 179073687 /nfs/dbraw/zinc/07/36/87/179073687.db2.gz ZFCFDGOECMOLBM-CABCVRRESA-N 1 0 264.417 2.019 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C(C)C)CN1CCOCC(F)(F)F ZINC000085450491 179064948 /nfs/dbraw/zinc/06/49/48/179064948.db2.gz BYFGAIBUQYINAF-RYUDHWBXSA-N 1 0 282.350 2.274 10 0 CEAERO CC[C@H](C)[C@H]1CN(Cc2ccn(C(C)C)n2)CC[NH2+]1 ZINC000085450018 179065319 /nfs/dbraw/zinc/06/53/19/179065319.db2.gz WCQNTNLQHSVMTO-DZGCQCFKSA-N 1 0 264.417 2.284 10 0 CEAERO CC[C@@H](C)[C@H]1CNCC[N@@H+]1[C@@H]1CCC[C@H](OC)C1 ZINC000085452854 179065823 /nfs/dbraw/zinc/06/58/23/179065823.db2.gz FYHXTIZHVFSARF-APIJFGDWSA-N 1 0 254.418 2.264 10 0 CEAERO CCC1(CC)C[NH2+][C@@H](C)CN1CCOCC(F)(F)F ZINC000085454291 179066968 /nfs/dbraw/zinc/06/69/68/179066968.db2.gz JZAGVEWRLQVXRT-NSHDSACASA-N 1 0 282.350 2.418 10 0 CEAERO CC(C)CCOCCN1CC[NH2+]C[C@H]1CC(C)C ZINC000085453005 179066969 /nfs/dbraw/zinc/06/69/69/179066969.db2.gz MNNSIHVORXFTIS-OAHLLOKOSA-N 1 0 256.434 2.369 10 0 CEAERO CCC[C@@H]1CN[C@@H](C)C[N@@H+]1CCCOCC(F)(F)F ZINC000085453520 179067020 /nfs/dbraw/zinc/06/70/20/179067020.db2.gz URHJHHYWVNAVSJ-NWDGAFQWSA-N 1 0 282.350 2.418 10 0 CEAERO c1cc(CN2CC[NH2+]C[C@@H]2C2CCCCC2)ccn1 ZINC000085452988 179067026 /nfs/dbraw/zinc/06/70/26/179067026.db2.gz JEGVTPYKFPMKLH-MRXNPFEDSA-N 1 0 259.397 2.436 10 0 CEAERO CCC[C@H]1CN[C@@H](C)C[N@@H+]1[C@@H]1CCC[C@H](OC)C1 ZINC000085453511 179067033 /nfs/dbraw/zinc/06/70/33/179067033.db2.gz ODFUVUKLZWKPCM-XGUBFFRZSA-N 1 0 254.418 2.406 10 0 CEAERO C[C@@H]1CN(CCc2ccsc2)[C@H](C2CC2)C[NH2+]1 ZINC000085453704 179067341 /nfs/dbraw/zinc/06/73/41/179067341.db2.gz UCOOIMXDQVKNER-RISCZKNCSA-N 1 0 250.411 2.363 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C)CN1Cc1ccc(OC)c(F)c1 ZINC000085453350 179067433 /nfs/dbraw/zinc/06/74/33/179067433.db2.gz ARYQQXHBDHJLFM-DGCLKSJQSA-N 1 0 266.360 2.407 10 0 CEAERO Nc1cccc([C@@H](O)CC[NH2+]Cc2ccccc2)c1 ZINC000098130264 185691078 /nfs/dbraw/zinc/69/10/78/185691078.db2.gz WQHAVVQQAYLXBI-INIZCTEOSA-N 1 0 256.349 2.482 10 0 CEAERO CC(C)COc1ccc(-c2nnc(CC[NH3+])o2)cc1 ZINC000098130646 185692120 /nfs/dbraw/zinc/69/21/20/185692120.db2.gz BECHVYCZBHHRFE-UHFFFAOYSA-N 1 0 261.325 2.273 10 0 CEAERO CC[C@@H]1CN(CCCOCC(F)(F)F)C(C)(C)C[NH2+]1 ZINC000085474295 179078018 /nfs/dbraw/zinc/07/80/18/179078018.db2.gz MLBQGIGFAKEORE-LLVKDONJSA-N 1 0 282.350 2.418 10 0 CEAERO CC[C@H]1C[N@H+](C[C@@H]2CCCO2)C(CC)(CC)CN1 ZINC000085474688 179078373 /nfs/dbraw/zinc/07/83/73/179078373.db2.gz LADDDOYBBUJCLK-KBPBESRZSA-N 1 0 254.418 2.408 10 0 CEAERO CCC[C@H]1C[NH2+][C@](C)(CC)CN1Cc1ncccn1 ZINC000085494991 179082219 /nfs/dbraw/zinc/08/22/19/179082219.db2.gz VBWOVCYWZMDSHX-DZGCQCFKSA-N 1 0 262.401 2.219 10 0 CEAERO CC[C@@H]1CN([C@@H]2CCOC2)C2(CCCCC2)C[NH2+]1 ZINC000085474961 179079067 /nfs/dbraw/zinc/07/90/67/179079067.db2.gz YYBUXJVDALDJFQ-ZIAGYGMSSA-N 1 0 252.402 2.162 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1Cc1ncccn1 ZINC000085475523 179079165 /nfs/dbraw/zinc/07/91/65/179079165.db2.gz NUGPIYDIVIYXID-CHWSQXEVSA-N 1 0 262.401 2.075 10 0 CEAERO CC(C)(C)[C@@H]1C[N@H+](C[C@@H]2CCCO2)[C@H](C2CC2)CN1 ZINC000085476232 179079785 /nfs/dbraw/zinc/07/97/85/179079785.db2.gz FXVZQVXMXUUFNP-KKUMJFAQSA-N 1 0 266.429 2.264 10 0 CEAERO [NH3+]Cc1ccccc1Nc1ncncc1Br ZINC000085480668 179080188 /nfs/dbraw/zinc/08/01/88/179080188.db2.gz RWYIUBWWAYWYFF-UHFFFAOYSA-N 1 0 279.141 2.441 10 0 CEAERO CCn1cc(CN2C[C@@](C)(C3CC3)[NH2+]C[C@@H]2C2CC2)cn1 ZINC000085513698 179086208 /nfs/dbraw/zinc/08/62/08/179086208.db2.gz YQWMWFCAUVXNLR-SJORKVTESA-N 1 0 288.439 2.256 10 0 CEAERO Cc1nccn1CC[N@H+]1C[C@@](C)(C2CC2)NC[C@@H]1C(C)C ZINC000085512241 179086307 /nfs/dbraw/zinc/08/63/07/179086307.db2.gz XFPXDTQBEYQMNK-SJORKVTESA-N 1 0 290.455 2.290 10 0 CEAERO CC[C@]1(C)CN[C@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085515328 179086940 /nfs/dbraw/zinc/08/69/40/179086940.db2.gz JFXMTURUUYVSER-IMJJTQAJSA-N 1 0 266.429 2.266 10 0 CEAERO C[C@@]1(C2CC2)CN[C@@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085516269 179087259 /nfs/dbraw/zinc/08/72/59/179087259.db2.gz WYFWGYVBTOUYAN-BBWFWOEESA-N 1 0 278.440 2.408 10 0 CEAERO COc1ccc(CN2C[C@H](C3CC3)[NH2+]C[C@@H]2C)cc1OC ZINC000085521101 179087528 /nfs/dbraw/zinc/08/75/28/179087528.db2.gz GQMUDMHXHWMEMQ-SWLSCSKDSA-N 1 0 290.407 2.276 10 0 CEAERO CC[C@@H]1C[NH2+]C(CC)(CC)CN1CCn1ccnc1C ZINC000085517301 179087548 /nfs/dbraw/zinc/08/75/48/179087548.db2.gz YZVFKGHREXHDTN-OAHLLOKOSA-N 1 0 278.444 2.434 10 0 CEAERO CCC[C@H]1C[NH2+][C@@H](C2CC2)CN1Cc1cccc(OC)n1 ZINC000085523534 179088330 /nfs/dbraw/zinc/08/83/30/179088330.db2.gz BBCZLPPQJGGIEL-JKSUJKDBSA-N 1 0 289.423 2.443 10 0 CEAERO [NH3+]C1CC(Oc2cccc(I)c2)C1 ZINC000085523791 179088551 /nfs/dbraw/zinc/08/85/51/179088551.db2.gz ILYDLOATFAXZNG-UHFFFAOYSA-N 1 0 289.116 2.160 10 0 CEAERO CC[C@@]1(C)CN(CCOC(C)C)[C@H](C2CC2)C[NH2+]1 ZINC000085495834 179082357 /nfs/dbraw/zinc/08/23/57/179082357.db2.gz HWGGASVBZDBGKF-GJZGRUSLSA-N 1 0 254.418 2.264 10 0 CEAERO CC[C@@H](C)[C@H]1CN(Cc2ncccn2)C(C)(C)C[NH2+]1 ZINC000085492838 179082448 /nfs/dbraw/zinc/08/24/48/179082448.db2.gz CKSUEGOQCLMRAY-CHWSQXEVSA-N 1 0 262.401 2.075 10 0 CEAERO CC[C@]1(C)CN(CCOCC(F)(F)F)C(C)(C)C[NH2+]1 ZINC000085496352 179083025 /nfs/dbraw/zinc/08/30/25/179083025.db2.gz TXIZQKQGNWMILP-GFCCVEGCSA-N 1 0 282.350 2.418 10 0 CEAERO CC[C@H](C)[C@@H]1CNC2(CCCC2)C[N@@H+]1CCOC ZINC000085498216 179083435 /nfs/dbraw/zinc/08/34/35/179083435.db2.gz SMPHGPFWPVZIGK-KBPBESRZSA-N 1 0 254.418 2.266 10 0 CEAERO CC(C)[C@@H]1C[NH2+]C2(CCCCC2)CN1[C@@H]1CCOC1 ZINC000085502961 179084100 /nfs/dbraw/zinc/08/41/00/179084100.db2.gz SHQDDAWSBQKPER-CABCVRRESA-N 1 0 266.429 2.408 10 0 CEAERO COCCN1C[C@@H](C2CC2)[NH2+]C[C@@H]1c1ccccc1 ZINC000085527296 179089629 /nfs/dbraw/zinc/08/96/29/179089629.db2.gz SUQBAPUDBKYJPH-JKSUJKDBSA-N 1 0 260.381 2.058 10 0 CEAERO COCC[N@@H+]1C[C@H](C2CC2)NCC12CCCCC2 ZINC000085529294 179090400 /nfs/dbraw/zinc/09/04/00/179090400.db2.gz AJVOGYODRHUHNX-CQSZACIVSA-N 1 0 252.402 2.020 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@H](C2CC2)CN1Cc1cccc(OC)n1 ZINC000085528441 179090765 /nfs/dbraw/zinc/09/07/65/179090765.db2.gz IHFLABSFHMQBHB-RDJZCZTQSA-N 1 0 289.423 2.443 10 0 CEAERO c1cnn(CCN2C[C@@H](C3CC3)[NH2+]CC23CCCCC3)c1 ZINC000085529291 179091041 /nfs/dbraw/zinc/09/10/41/179091041.db2.gz BQJZVIAIJCNGKW-INIZCTEOSA-N 1 0 288.439 2.270 10 0 CEAERO C[C@H]1CN[C@](C)(c2ccccc2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085531709 179091286 /nfs/dbraw/zinc/09/12/86/179091286.db2.gz BRPUYZLVBUCNEN-XIRDDKMYSA-N 1 0 274.408 2.375 10 0 CEAERO CC[C@H]1CN[C@](C)(c2ccccc2)C[N@@H+]1[C@@H]1CCOC1 ZINC000085531928 179091479 /nfs/dbraw/zinc/09/14/79/179091479.db2.gz GYDQDCJRCSZANK-BBWFWOEESA-N 1 0 274.408 2.375 10 0 CEAERO C[C@H]1C[NH2+][C@](C)(c2ccccc2)CN1Cc1ncccn1 ZINC000085531676 179091493 /nfs/dbraw/zinc/09/14/93/179091493.db2.gz FYJZHOHBBUBGCQ-YOEHRIQHSA-N 1 0 282.391 2.186 10 0 CEAERO CC[C@H]1CN[C@@](C)(c2ccccc2)C[N@@H+]1[C@@H]1CCOC1 ZINC000085531925 179091602 /nfs/dbraw/zinc/09/16/02/179091602.db2.gz GYDQDCJRCSZANK-GVDBMIGSSA-N 1 0 274.408 2.375 10 0 CEAERO C[C@]1(C2CC2)C[NH2+][C@H](C2CC2)CN1Cc1ccncc1 ZINC000085529496 179091673 /nfs/dbraw/zinc/09/16/73/179091673.db2.gz KRFXRDZQEXJXBJ-DLBZAZTESA-N 1 0 271.408 2.434 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C2CCCCC2)CN1CCOCCOC ZINC000085529924 179091962 /nfs/dbraw/zinc/09/19/62/179091962.db2.gz NSLAFDKIFZTKIZ-SJORKVTESA-N 1 0 298.471 2.282 10 0 CEAERO CC(C)(C)c1nc2c(n1CC(F)(F)F)CC[NH2+]C2 ZINC000085568606 179095452 /nfs/dbraw/zinc/09/54/52/179095452.db2.gz NLKIBQYIXXCRPZ-UHFFFAOYSA-N 1 0 261.291 2.389 10 0 CEAERO Cc1nc2c(n1CCCN(C)c1ccccc1)CC[NH2+]C2 ZINC000085568519 179095478 /nfs/dbraw/zinc/09/54/78/179095478.db2.gz ILKWZPOIRZIAGF-UHFFFAOYSA-N 1 0 284.407 2.364 10 0 CEAERO c1ccc(OCCn2c3c(nc2C2CC2)C[NH2+]CC3)cc1 ZINC000085572453 179097249 /nfs/dbraw/zinc/09/72/49/179097249.db2.gz GFENGNRIMWDVBO-UHFFFAOYSA-N 1 0 283.375 2.485 10 0 CEAERO CC[C@@H](COC)n1c2c(nc1C(F)(F)F)C[NH2+]CC2 ZINC000085574826 179099115 /nfs/dbraw/zinc/09/91/15/179099115.db2.gz BUKKYWNJZQOVDC-QMMMGPOBSA-N 1 0 277.290 2.145 10 0 CEAERO CC[C@@H](COC)n1c(CC(C)C)nc2c1CC[NH2+]C2 ZINC000085574788 179099416 /nfs/dbraw/zinc/09/94/16/179099416.db2.gz LLUBBFVZZSEVSM-LBPRGKRZSA-N 1 0 265.401 2.325 10 0 CEAERO COCC[C@H](C)n1c(CC(C)C)nc2c1CC[NH2+]C2 ZINC000085575238 179099465 /nfs/dbraw/zinc/09/94/65/179099465.db2.gz JEDPDIJHBVBLHU-LBPRGKRZSA-N 1 0 265.401 2.325 10 0 CEAERO COC[C@@H](C)Cn1c2c(nc1-c1ccccc1)C[NH2+]CC2 ZINC000085607130 179101080 /nfs/dbraw/zinc/10/10/80/179101080.db2.gz MRJMHXIQAOBHOD-ZDUSSCGKSA-N 1 0 285.391 2.478 10 0 CEAERO CCn1cc(CN2CCC[NH2+]C3(CCCCC3)C2)cn1 ZINC000085610516 179101227 /nfs/dbraw/zinc/10/12/27/179101227.db2.gz VCLLZNAVVBYVNT-UHFFFAOYSA-N 1 0 276.428 2.401 10 0 CEAERO c1ccc([C@H]2C[N@H+](CC3CCOCC3)CCCN2)cc1 ZINC000085610942 179102344 /nfs/dbraw/zinc/10/23/44/179102344.db2.gz PWNRQVFLPSLZHE-QGZVFWFLSA-N 1 0 274.408 2.450 10 0 CEAERO CCC(CC)C[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000122298985 136537625 /nfs/dbraw/zinc/53/76/25/136537625.db2.gz YNWQBQYNHOLZRO-AWEZNQCLSA-N 1 0 262.401 2.471 10 0 CEAERO CC[C@H](C)n1ccc(CN2CCC[NH2+][C@H](C3CC3)C2)n1 ZINC000085616318 179103643 /nfs/dbraw/zinc/10/36/43/179103643.db2.gz RJFHCUJCOYXBRL-BBRMVZONSA-N 1 0 276.428 2.428 10 0 CEAERO COc1ccccc1CN1CCC[NH2+][C@@H](C2CC2)C1 ZINC000085616189 179104405 /nfs/dbraw/zinc/10/44/05/179104405.db2.gz VBNLYWZQUOWNET-OAHLLOKOSA-N 1 0 260.381 2.269 10 0 CEAERO CCn1cc(CN2CC3(CCCC3)[NH2+]CC[C@@H]2C)cn1 ZINC000085623301 179105119 /nfs/dbraw/zinc/10/51/19/179105119.db2.gz YPOQVJXQNYPBMI-AWEZNQCLSA-N 1 0 276.428 2.400 10 0 CEAERO C[C@H]1CC[NH2+]CCN1Cc1ccn(C2CCCC2)n1 ZINC000085622383 179105512 /nfs/dbraw/zinc/10/55/12/179105512.db2.gz BYMRZYQRFCDJKX-ZDUSSCGKSA-N 1 0 262.401 2.182 10 0 CEAERO CCN1CCC[C@@H]([NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000085675130 179111969 /nfs/dbraw/zinc/11/19/69/179111969.db2.gz UQQFTUWAJQCMJM-BARDWOONSA-N 1 0 266.429 2.264 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+][C@@H]2CCCN(C)C2)C12CCCC2 ZINC000085680400 179113643 /nfs/dbraw/zinc/11/36/43/179113643.db2.gz RUKYGZVBOGMGRZ-KFWWJZLASA-N 1 0 266.429 2.408 10 0 CEAERO COCC[NH2+]C[C@@H](O)c1ccc(Br)c(C)c1 ZINC000085708747 179123119 /nfs/dbraw/zinc/12/31/19/179123119.db2.gz NXQAIUYPSMXSTB-GFCCVEGCSA-N 1 0 288.185 2.027 10 0 CEAERO CN1CCN([C@@H](C[NH3+])c2ccncc2)c2ccccc21 ZINC000111459312 136562122 /nfs/dbraw/zinc/56/21/22/136562122.db2.gz KNKWOMCURZVMBG-INIZCTEOSA-N 1 0 268.364 2.038 10 0 CEAERO C[C@@H]([NH3+])Cc1cc2ccccc2nc1N1CCO[C@@H](C)C1 ZINC000111487833 136562621 /nfs/dbraw/zinc/56/26/21/136562621.db2.gz ANUXYFQXXNEGNV-OLZOCXBDSA-N 1 0 285.391 2.350 10 0 CEAERO COC(=O)c1cccnc1C[N@@H+]1CC[C@@H](C(C)C)C1 ZINC000336808656 365845648 /nfs/dbraw/zinc/84/56/48/365845648.db2.gz QSYVYDGUSGWPNT-GFCCVEGCSA-N 1 0 262.353 2.346 10 0 CEAERO C[C@H]([NH2+][C@@H](CN(C)C)c1ccccc1)[C@H]1CCCO1 ZINC000336816842 365859628 /nfs/dbraw/zinc/85/96/28/365859628.db2.gz NOMNIVKBFYYXBO-CWRNSKLLSA-N 1 0 262.397 2.446 10 0 CEAERO CS[C@H](C)CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000129366325 365851062 /nfs/dbraw/zinc/85/10/62/365851062.db2.gz JWDWNQFVRXXQQX-TZMCWYRMSA-N 1 0 280.437 2.027 10 0 CEAERO CC(C)(C)c1ccccc1NC(=O)[C@@]1([NH3+])CCOC1 ZINC000085870943 179193188 /nfs/dbraw/zinc/19/31/88/179193188.db2.gz PLVRBIWEJYEQLT-OAHLLOKOSA-N 1 0 262.353 2.040 10 0 CEAERO C[C@H](C[NH3+])[C@@](C)(O)c1ccc(Br)cc1 ZINC000085899372 179196430 /nfs/dbraw/zinc/19/64/30/179196430.db2.gz HPCAUOKTMQGOKC-LDYMZIIASA-N 1 0 258.159 2.251 10 0 CEAERO CCC[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)CCO1 ZINC000085963710 179205166 /nfs/dbraw/zinc/20/51/66/179205166.db2.gz YDBFOELSOGJALT-AJNGGQMLSA-N 1 0 255.402 2.475 10 0 CEAERO CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)CCO1 ZINC000085978820 179208534 /nfs/dbraw/zinc/20/85/34/179208534.db2.gz LFOCLJQVUBQUBY-AJNGGQMLSA-N 1 0 255.402 2.331 10 0 CEAERO CCC[NH2+][C@H](CCO)CN(C)C1CCC(C)CC1 ZINC000085922124 179200195 /nfs/dbraw/zinc/20/01/95/179200195.db2.gz BLVNAFLQYGAAGL-SHARSMKWSA-N 1 0 256.434 2.248 10 0 CEAERO CCN[C@@H](CCO)C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000085922548 179201528 /nfs/dbraw/zinc/20/15/28/179201528.db2.gz KXLKXLIQHPCRJC-LSDHHAIUSA-N 1 0 254.418 2.002 10 0 CEAERO CCC[NH2+][C@@H](CCO)C[S@@](=O)c1cccc(Cl)c1 ZINC000085925748 179202162 /nfs/dbraw/zinc/20/21/62/179202162.db2.gz KSPUQVYKHWAISS-SGTLLEGYSA-N 1 0 289.828 2.198 10 0 CEAERO C[C@H](O)CC[NH2+]Cc1cccc(NC(=O)C(F)(F)F)c1 ZINC000085983663 179210587 /nfs/dbraw/zinc/21/05/87/179210587.db2.gz PXRDCSAZVIIBCC-VIFPVBQESA-N 1 0 290.285 2.048 10 0 CEAERO CCCCCCOC[C@@H](O)C[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000085985418 179211619 /nfs/dbraw/zinc/21/16/19/179211619.db2.gz MPDKOWHXBWOAHS-PMPSAXMXSA-N 1 0 287.444 2.085 10 0 CEAERO O[C@H](C[NH2+]C[C@@H]1CCCC[C@@H]1O)c1c(F)cccc1F ZINC000085986416 179212049 /nfs/dbraw/zinc/21/20/49/179212049.db2.gz DTVHBMJOIXIFIQ-LEWSCRJBSA-N 1 0 285.334 2.139 10 0 CEAERO CC(C)(C)[C@H](CC[NH3+])CCC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000085987094 179212317 /nfs/dbraw/zinc/21/23/17/179212317.db2.gz NVCZTBPTMBTUKD-KKUMJFAQSA-N 1 0 298.471 2.445 10 0 CEAERO C[C@H]1[C@@H]([NH3+])CC[C@@H]1Sc1nnc2n1CCCCC2 ZINC000086044591 179222753 /nfs/dbraw/zinc/22/27/53/179222753.db2.gz ZMLQRGSVPUKLMJ-DCAQKATOSA-N 1 0 266.414 2.222 10 0 CEAERO CCC[NH2+][C@@H]1CC[C@@H](Sc2nnc(C)n2C)[C@@H]1C ZINC000086045962 179222792 /nfs/dbraw/zinc/22/27/92/179222792.db2.gz HNYWJRZZUJNPNF-YUSALJHKSA-N 1 0 268.430 2.382 10 0 CEAERO CCC[NH2+][C@H]1CC[C@H](Sc2nnnn2C2CC2)[C@@H]1C ZINC000086044736 179222838 /nfs/dbraw/zinc/22/28/38/179222838.db2.gz YLXVDVSWRMOBNX-USWWRNFRSA-N 1 0 281.429 2.267 10 0 CEAERO C[NH2+][C@@H]1CC[C@H](Sc2nnc(N(C)C)s2)[C@@H]1C ZINC000086043726 179223069 /nfs/dbraw/zinc/22/30/69/179223069.db2.gz KTTIORWLRWKMBO-HLTSFMKQSA-N 1 0 272.443 2.083 10 0 CEAERO CCC[NH2+][C@H]1CC[C@@H](Sc2n[nH]c(C)n2)[C@@H]1C ZINC000086046057 179223110 /nfs/dbraw/zinc/22/31/10/179223110.db2.gz GRSONMATZFUOAC-DVVUODLYSA-N 1 0 254.403 2.372 10 0 CEAERO C[C@@H]1[C@@H](C)CC[C@@H]1NC(=O)Cc1ccc(C[NH3+])cc1 ZINC000086068855 179224633 /nfs/dbraw/zinc/22/46/33/179224633.db2.gz LOGHDZZINVZWAR-ZOWXZIJZSA-N 1 0 260.381 2.239 10 0 CEAERO C[C@@H]1CC[C@H](NC(=O)[C@H]([NH3+])Cc2ccccc2)[C@@H]1C ZINC000086075454 179224835 /nfs/dbraw/zinc/22/48/35/179224835.db2.gz LUTGZTCGWDFWGE-GBOPCIDUSA-N 1 0 260.381 2.107 10 0 CEAERO C[C@@H]1CC[C@@H](NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)[C@@H]1C ZINC000086075772 179225981 /nfs/dbraw/zinc/22/59/81/179225981.db2.gz CSPZNRLDXDHQAF-BFLSOPEQSA-N 1 0 278.318 2.079 10 0 CEAERO CC[NH2+][C@@H]1CC[C@@H](S(=O)(=O)Cc2ccccc2)[C@@H]1C ZINC000086040859 179221922 /nfs/dbraw/zinc/22/19/22/179221922.db2.gz KWOVZYNBFVIQDX-BPLDGKMQSA-N 1 0 281.421 2.378 10 0 CEAERO CC[NH2+][C@H]1CC[C@@H](S(=O)(=O)c2ccc(F)cc2)[C@@H]1C ZINC000086040499 179222306 /nfs/dbraw/zinc/22/23/06/179222306.db2.gz UHQCQJIWYKYEQR-DDTOSNHZSA-N 1 0 285.384 2.376 10 0 CEAERO C[C@@H]([C@H]1CCCO1)N1CC[NH2+][C@H](C2CCCCC2)C1 ZINC000086127784 179235710 /nfs/dbraw/zinc/23/57/10/179235710.db2.gz NOPBQGGOKGUKFS-CWRNSKLLSA-N 1 0 266.429 2.408 10 0 CEAERO CC(C)(C)[NH2+]Cc1nnc2ccc(Br)cn21 ZINC000086137539 179236822 /nfs/dbraw/zinc/23/68/22/179236822.db2.gz LEGWAOUNZAXSKK-UHFFFAOYSA-N 1 0 283.173 2.380 10 0 CEAERO c1ccc([C@H]2C[N@H+](CCc3ccccn3)CCN2)cc1 ZINC000086130659 179236865 /nfs/dbraw/zinc/23/68/65/179236865.db2.gz CFVLJAWDPXFVTP-QGZVFWFLSA-N 1 0 267.376 2.271 10 0 CEAERO C[C@@H]1[C@@H](C)CC[C@@H]1NC(=O)C1CCC(C[NH3+])CC1 ZINC000086082309 179228312 /nfs/dbraw/zinc/22/83/12/179228312.db2.gz HHXIYERLMSCTGN-OESUJAFSSA-N 1 0 252.402 2.302 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2cccc(Br)c2)C1 ZINC000086089449 179228872 /nfs/dbraw/zinc/22/88/72/179228872.db2.gz UFUULYGDYJAZPU-PSASIEDQSA-N 1 0 281.153 2.291 10 0 CEAERO CC[C@@H]1CC[C@H]([NH2+]Cc2c(OC)ncnc2OC)[C@@H]1C ZINC000086083922 179228957 /nfs/dbraw/zinc/22/89/57/179228957.db2.gz KDGMFKRWKRCEDT-WZRBSPASSA-N 1 0 279.384 2.408 10 0 CEAERO CC[C@H]1CC[C@@H](NS(=O)(=O)c2ccccc2C[NH3+])[C@@H]1C ZINC000086091444 179229025 /nfs/dbraw/zinc/22/90/25/179229025.db2.gz YYXOKMFHMQNMGB-MBNYWOFBSA-N 1 0 296.436 2.248 10 0 CEAERO CC[C@H]1CC[C@@H]([NH2+]C2CCN(C(C)=O)CC2)[C@@H]1C ZINC000086084121 179229052 /nfs/dbraw/zinc/22/90/52/179229052.db2.gz RNBWGTUUJSUABL-OSAQELSMSA-N 1 0 252.402 2.412 10 0 CEAERO CC[C@@H]1CN[C@@H](C(C)C)C[N@@H+]1CC[C@@H]1CCCO1 ZINC000086173615 179244722 /nfs/dbraw/zinc/24/47/22/179244722.db2.gz HRNRTXPUVALYBD-QLFBSQMISA-N 1 0 254.418 2.264 10 0 CEAERO CO[C@H]1CCC[C@H]1[N@@H+]1C[C@@H](Cc2ccccc2)NC[C@@H]1C ZINC000086174388 179245283 /nfs/dbraw/zinc/24/52/83/179245283.db2.gz ZRMVWOGGEZUUKE-HPBDAGMYSA-N 1 0 288.435 2.459 10 0 CEAERO CC[C@H](C)[C@@H]1CN(Cc2nc(C)no2)[C@H](C(C)C)C[NH2+]1 ZINC000086174048 179245829 /nfs/dbraw/zinc/24/58/29/179245829.db2.gz LSJQHGLGWGPFTK-UBHSHLNASA-N 1 0 280.416 2.223 10 0 CEAERO COCC[C@H](C)[N@@H+]1C[C@@H](Cc2ccccc2)NC[C@@H]1C ZINC000086176601 179247178 /nfs/dbraw/zinc/24/71/78/179247178.db2.gz VJVLVFCBJPFGJN-YQQAZPJKSA-N 1 0 276.424 2.316 10 0 CEAERO CCC1(CC)CN(Cc2ccnc(OC)c2)CC[NH2+]1 ZINC000086148568 179239624 /nfs/dbraw/zinc/23/96/24/179239624.db2.gz QLNVOMPYPLJOAG-UHFFFAOYSA-N 1 0 263.385 2.054 10 0 CEAERO CC(C)C[C@H]1CN([C@@H](C)[C@@H]2CCCO2)[C@@H](C)C[NH2+]1 ZINC000086218221 179249580 /nfs/dbraw/zinc/24/95/80/179249580.db2.gz LWQCPZFDPWPQOX-AJNGGQMLSA-N 1 0 254.418 2.262 10 0 CEAERO CC(C)[C@@H]1CN[C@@H](C2CC2)C[N@@H+]1[C@@H](C)[C@@H]1CCCO1 ZINC000086218182 179249646 /nfs/dbraw/zinc/24/96/46/179249646.db2.gz UTPKQICPWUYOPE-UKMLZYKCSA-N 1 0 266.429 2.262 10 0 CEAERO CCn1cc(N2CC(C)(C)[NH2+]C[C@@H]2C(C)C)cn1 ZINC000086218526 179249772 /nfs/dbraw/zinc/24/97/72/179249772.db2.gz GHLZWSKRNCRWGV-CYBMUJFWSA-N 1 0 250.390 2.116 10 0 CEAERO C[C@@H]1CN[C@@H](c2ccccc2)C[N@@H+]1C1CCOCC1 ZINC000086218756 179250856 /nfs/dbraw/zinc/25/08/56/179250856.db2.gz LDHVEUUIOKTGSN-CZUORRHYSA-N 1 0 260.381 2.200 10 0 CEAERO CCC1(CC)CN(CCc2ccccn2)[C@H](C)C[NH2+]1 ZINC000086221466 179250921 /nfs/dbraw/zinc/25/09/21/179250921.db2.gz UHRBIEWWTYALAE-CQSZACIVSA-N 1 0 261.413 2.477 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](C2CC2)CN1CCc1cccc(F)c1 ZINC000086218740 179250943 /nfs/dbraw/zinc/25/09/43/179250943.db2.gz SSJWNKAEYCUUIB-MLGOLLRUSA-N 1 0 262.372 2.441 10 0 CEAERO CC[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1ccnc(C)n1 ZINC000086260185 179259100 /nfs/dbraw/zinc/25/91/00/179259100.db2.gz DDJDGEKMKIBYRV-HZPDHXFCSA-N 1 0 274.412 2.138 10 0 CEAERO CCOC[C@H](C)N1CC2(CCCCC2)[NH2+]C[C@@H]1C ZINC000086259710 179259497 /nfs/dbraw/zinc/25/94/97/179259497.db2.gz JNDLPKYZPCKYEH-KBPBESRZSA-N 1 0 254.418 2.408 10 0 CEAERO CC[C@@H]1CN[C@@H](CC(C)C)C[N@@H+]1C[C@@H](C)COC ZINC000086261019 179259811 /nfs/dbraw/zinc/25/98/11/179259811.db2.gz CHGHROALERJVLC-QLFBSQMISA-N 1 0 256.434 2.367 10 0 CEAERO CC[C@@H]1C[NH2+]C2(CCCC2)CN1Cc1cnc(C)cn1 ZINC000086263095 179260390 /nfs/dbraw/zinc/26/03/90/179260390.db2.gz WPWYPRDLIYXAFV-OAHLLOKOSA-N 1 0 274.412 2.282 10 0 CEAERO Cc1csc(CCN2CC(C)(C)[NH2+]C[C@H]2C)n1 ZINC000086264260 179260875 /nfs/dbraw/zinc/26/08/75/179260875.db2.gz JWYGEWLLSNJJPO-LLVKDONJSA-N 1 0 253.415 2.066 10 0 CEAERO CC[C@H]1C[NH2+]C(C)(C)CN1c1cnn(C(C)C)c1 ZINC000086263526 179260988 /nfs/dbraw/zinc/26/09/88/179260988.db2.gz VLJFPHCFGSXRMW-LBPRGKRZSA-N 1 0 250.390 2.431 10 0 CEAERO CC[C@@H]1CN(Cc2ccnc(OC)c2)[C@@H](CC)C[NH2+]1 ZINC000086263866 179261128 /nfs/dbraw/zinc/26/11/28/179261128.db2.gz JUUYCLZNFPLIMT-KGLIPLIRSA-N 1 0 263.385 2.053 10 0 CEAERO C[N@H+](Cc1c(N)cccc1Br)CC(C)(C)O ZINC000086273458 179262837 /nfs/dbraw/zinc/26/28/37/179262837.db2.gz JFCIHJYHVXXYII-UHFFFAOYSA-N 1 0 287.201 2.234 10 0 CEAERO COCc1ccccc1N1CCC[NH2+][C@H](C2CC2)C1 ZINC000086289637 179264228 /nfs/dbraw/zinc/26/42/28/179264228.db2.gz UMYWHBJPFMSRQQ-HNNXBMFYSA-N 1 0 260.381 2.411 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(CCc2cccnc2)CCC[NH2+]1 ZINC000086288723 179264286 /nfs/dbraw/zinc/26/42/86/179264286.db2.gz WWYDFTDHHZBWCU-ZBFHGGJFSA-N 1 0 261.413 2.334 10 0 CEAERO CC[C@H](C)[C@H]1CN(CCc2cccnc2)CCC[NH2+]1 ZINC000086288726 179264470 /nfs/dbraw/zinc/26/44/70/179264470.db2.gz WWYDFTDHHZBWCU-GOEBONIOSA-N 1 0 261.413 2.334 10 0 CEAERO CCCN(c1nc(Br)cs1)[C@H]1CC[NH2+]C1 ZINC000086290799 179265531 /nfs/dbraw/zinc/26/55/31/179265531.db2.gz YBXSBWIZVYHAQN-QMMMGPOBSA-N 1 0 290.230 2.484 10 0 CEAERO COCCN1CCC[C@@H]([NH3+])[C@@H]1c1ccc2ccccc2n1 ZINC000086317491 179270428 /nfs/dbraw/zinc/27/04/28/179270428.db2.gz BOHCGXUGIXHHFU-RHSMWYFYSA-N 1 0 285.391 2.345 10 0 CEAERO CC[C@@H]1CN(c2nc(Br)cs2)CC[N@@H+]1C ZINC000086291212 179265577 /nfs/dbraw/zinc/26/55/77/179265577.db2.gz XJMOXIOCXQUAEZ-MRVPVSSYSA-N 1 0 290.230 2.436 10 0 CEAERO Brc1csc(N[C@H]2CCCC[NH2+]C2)n1 ZINC000086290884 179265731 /nfs/dbraw/zinc/26/57/31/179265731.db2.gz AJDUGSKTLBAELZ-ZETCQYMHSA-N 1 0 276.203 2.460 10 0 CEAERO CC[C@@H](C)[C@H]1CN(Cc2cc(C)no2)CCC[NH2+]1 ZINC000086292723 179266895 /nfs/dbraw/zinc/26/68/95/179266895.db2.gz GYVMJGHJUYNJER-BXUZGUMPSA-N 1 0 251.374 2.193 10 0 CEAERO CC[C@]1(C)CN(c2cnn(C(C)C)c2)CCC[NH2+]1 ZINC000086295923 179267480 /nfs/dbraw/zinc/26/74/80/179267480.db2.gz JKCUNBMEAVGGSO-CQSZACIVSA-N 1 0 250.390 2.432 10 0 CEAERO CC[C@@]1(C)CN(Cc2ccc3c(c2)OCO3)CCC[NH2+]1 ZINC000086295870 179267774 /nfs/dbraw/zinc/26/77/74/179267774.db2.gz HJIYBIOVRNDVSD-INIZCTEOSA-N 1 0 276.380 2.379 10 0 CEAERO CCC[C@H]1CN(CCc2nccs2)CCC[NH2+]1 ZINC000086296841 179267779 /nfs/dbraw/zinc/26/77/79/179267779.db2.gz KBCGYRPYFWGGFS-LBPRGKRZSA-N 1 0 253.415 2.150 10 0 CEAERO CC(C)[C@@H]1CN(Cc2ccc3c(c2)OCO3)CCC[NH2+]1 ZINC000086295888 179268231 /nfs/dbraw/zinc/26/82/31/179268231.db2.gz ZRTXIEQBYXULCJ-AWEZNQCLSA-N 1 0 276.380 2.235 10 0 CEAERO COCC[C@@H](C)[N@@H+]1CCCN[C@H](c2ccccc2)C1 ZINC000086300163 179268587 /nfs/dbraw/zinc/26/85/87/179268587.db2.gz TZZWQPCHRHDKSM-ZBFHGGJFSA-N 1 0 262.397 2.448 10 0 CEAERO Cc1ccc(C[NH3+])cc1NC(=O)c1ccncc1F ZINC000086315845 179269149 /nfs/dbraw/zinc/26/91/49/179269149.db2.gz CQFAKIHSRMWMNJ-UHFFFAOYSA-N 1 0 259.284 2.240 10 0 CEAERO CC(C)(C)[C@H](N)c1noc(-c2ccncc2F)n1 ZINC000086317078 179269831 /nfs/dbraw/zinc/26/98/31/179269831.db2.gz RLHFIVIQUMCTQI-SECBINFHSA-N 1 0 250.277 2.317 10 0 CEAERO C[C@@H]1CN([C@@H](C[NH3+])c2cc(Cl)cs2)CCO1 ZINC000086333168 179273498 /nfs/dbraw/zinc/27/34/98/179273498.db2.gz WTGNENSLIYSSNN-SCZZXKLOSA-N 1 0 260.790 2.122 10 0 CEAERO CCN(CCOC)c1nc2c(s1)CCC[C@H]2[NH2+]C ZINC000086443706 179294028 /nfs/dbraw/zinc/29/40/28/179294028.db2.gz MQJNSTSIYWSESO-SNVBAGLBSA-N 1 0 269.414 2.213 10 0 CEAERO CC[C@H]1CN(C(=O)c2ccccc2F)[C@@H](CC)C[NH2+]1 ZINC000086447271 179296032 /nfs/dbraw/zinc/29/60/32/179296032.db2.gz IABHTNPBBFOBCN-RYUDHWBXSA-N 1 0 264.344 2.428 10 0 CEAERO CC[C@H]1CN(C(=O)c2ccoc2C)[C@@H](CC)C[NH2+]1 ZINC000086446773 179295434 /nfs/dbraw/zinc/29/54/34/179295434.db2.gz HXMMQQKCWJDLDW-RYUDHWBXSA-N 1 0 250.342 2.191 10 0 CEAERO C[NH2+][C@H](Cc1ccnc(N)c1)[C@H]1Cc2ccccc21 ZINC000086488856 179302332 /nfs/dbraw/zinc/30/23/32/179302332.db2.gz NLRXLFQZRVKHAM-LSDHHAIUSA-N 1 0 253.349 2.134 10 0 CEAERO C[NH2+][C@@H](C)CCc1nc([C@@H]2Cc3ccccc32)no1 ZINC000086492193 179302632 /nfs/dbraw/zinc/30/26/32/179302632.db2.gz SKAXLYMKXUGONA-GXFFZTMASA-N 1 0 257.337 2.298 10 0 CEAERO COc1cc(C[NH2+]C(C)(C)CO)c(SC)cc1OC ZINC000086498684 179303100 /nfs/dbraw/zinc/30/31/00/179303100.db2.gz VEVUWEWUANRFHO-UHFFFAOYSA-N 1 0 285.409 2.286 10 0 CEAERO C[NH2+][C@@H](Cc1cc(Br)cs1)C(OC)OC ZINC000086452144 179296398 /nfs/dbraw/zinc/29/63/98/179296398.db2.gz BBQZSLVPMHGNNP-VIFPVBQESA-N 1 0 294.214 2.260 10 0 CEAERO CC(C)[NH2+]CC1(S(C)(=O)=O)CC2(C1)CCCC2 ZINC000086523437 179306036 /nfs/dbraw/zinc/30/60/36/179306036.db2.gz YEZDXPCGTCTNHK-UHFFFAOYSA-N 1 0 259.415 2.122 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1CCS(=O)(=O)c1cccs1 ZINC000086548448 179307350 /nfs/dbraw/zinc/30/73/50/179307350.db2.gz QDGDAJMIFRRKFU-ZJUUUORDSA-N 1 0 259.396 2.039 10 0 CEAERO COc1ccc(Br)cc1C[C@H]([NH3+])[C@H](C)OC ZINC000086576324 179308339 /nfs/dbraw/zinc/30/83/39/179308339.db2.gz DDSCDZGXLGAJEV-KWQFWETISA-N 1 0 288.185 2.362 10 0 CEAERO CO[C@H](C)[C@@H]([NH3+])Cc1ccccc1Br ZINC000086576319 179308344 /nfs/dbraw/zinc/30/83/44/179308344.db2.gz QKWPLPVCOCJLCD-KCJUWKMLSA-N 1 0 258.159 2.354 10 0 CEAERO CO[C@H](C)[C@@H]([NH3+])Cc1cc(Br)ccc1F ZINC000086575812 179308720 /nfs/dbraw/zinc/30/87/20/179308720.db2.gz LCZULLONXZQNMG-HQJQHLMTSA-N 1 0 276.149 2.493 10 0 CEAERO COc1ccc([C@H](C[NH3+])N2CCO[C@@H](C)C2)cc1Cl ZINC000086586339 179309729 /nfs/dbraw/zinc/30/97/29/179309729.db2.gz PJJYWPZFLNHGMT-GWCFXTLKSA-N 1 0 284.787 2.069 10 0 CEAERO COc1ccc([C@H](C[NH3+])N2C[C@H](C)O[C@@H](C)C2)cc1Cl ZINC000086586324 179309843 /nfs/dbraw/zinc/30/98/43/179309843.db2.gz URHSIYJEKGASBC-MJVIPROJSA-N 1 0 298.814 2.458 10 0 CEAERO COc1ccc([C@H]2[C@@H]([NH3+])CCCC(=O)N2C)cc1Cl ZINC000086585070 179310434 /nfs/dbraw/zinc/31/04/34/179310434.db2.gz GIBIHBBGHIHKQP-FZMZJTMJSA-N 1 0 282.771 2.359 10 0 CEAERO CCC(CC)(CC)[NH2+]C[C@@H](O)COCCOC(C)C ZINC000086642797 179315864 /nfs/dbraw/zinc/31/58/64/179315864.db2.gz HHHLSVUCJNCDBS-CQSZACIVSA-N 1 0 275.433 2.347 10 0 CEAERO CCO[C@H](C[NH3+])CCSc1nc(C)c(C)c(C)n1 ZINC000086644217 179315943 /nfs/dbraw/zinc/31/59/43/179315943.db2.gz UCEMSQORZDTGPU-LBPRGKRZSA-N 1 0 269.414 2.248 10 0 CEAERO COC[C@@H]([NH2+][C@@H](C)c1c(C)nn(C)c1C)C(C)C ZINC000086695247 179320750 /nfs/dbraw/zinc/32/07/50/179320750.db2.gz ULXLYOUZWLPOKP-GXFFZTMASA-N 1 0 253.390 2.359 10 0 CEAERO [NH3+]C[C@@]1(Cc2cc(F)cc(Br)c2)CCOC1 ZINC000086696969 179320886 /nfs/dbraw/zinc/32/08/86/179320886.db2.gz COWVKGPCQWZLDD-LBPRGKRZSA-N 1 0 288.160 2.496 10 0 CEAERO COCC[NH2+]CCCSc1nc(C)c(C)c(C)n1 ZINC000086645407 179316599 /nfs/dbraw/zinc/31/65/99/179316599.db2.gz XQNPPBAIRNNGHW-UHFFFAOYSA-N 1 0 269.414 2.120 10 0 CEAERO O[C@@]1([C@H]2CCc3ccccc3N2)CC[N@@H+](C2CC2)C1 ZINC000086666773 179317143 /nfs/dbraw/zinc/31/71/43/179317143.db2.gz BJEGBKZWGUBOFI-CVEARBPZSA-N 1 0 258.365 2.013 10 0 CEAERO C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1c[nH]c(=NN)s1 ZINC000086767651 179325561 /nfs/dbraw/zinc/32/55/61/179325561.db2.gz ZOPMOSPCLDOQAO-KOLCDFICSA-N 1 0 254.403 2.439 10 0 CEAERO NN=c1[nH]cc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)s1 ZINC000086768133 179325718 /nfs/dbraw/zinc/32/57/18/179325718.db2.gz UIKVNYINVCDLFC-KOLCDFICSA-N 1 0 252.387 2.193 10 0 CEAERO CC[C@H](C)[C@H](C)[NH+]1CCC([N@@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000086776195 179327837 /nfs/dbraw/zinc/32/78/37/179327837.db2.gz CQJLTHNLAPYDFA-KCQAQPDRSA-N 1 0 282.428 2.434 10 0 CEAERO CC(C)C1CCC(C[NH3+])(O[C@H]2CCCCNC2=O)CC1 ZINC000086713551 179322668 /nfs/dbraw/zinc/32/26/68/179322668.db2.gz WCQRLQVERDYZAC-BBBYJDLNSA-N 1 0 282.428 2.215 10 0 CEAERO CC(C)OC[C@@H](O)COC1(C[NH3+])CCC(C(C)C)CC1 ZINC000086713544 179322695 /nfs/dbraw/zinc/32/26/95/179322695.db2.gz KZMBHENJELXKQH-HWOWSKLDSA-N 1 0 287.444 2.333 10 0 CEAERO CC[C@@H](C)NC(=O)COC1(C[NH3+])CCC(CC)CC1 ZINC000086713158 179322918 /nfs/dbraw/zinc/32/29/18/179322918.db2.gz MLRRAZCBBDLANA-DNOWBOINSA-N 1 0 270.417 2.215 10 0 CEAERO C[C@@H]1CCC[C@](C[NH3+])(OCC(=O)NCc2ccccc2)C1 ZINC000086712359 179322953 /nfs/dbraw/zinc/32/29/53/179322953.db2.gz GZGQYPUTMBGBOM-PBHICJAKSA-N 1 0 290.407 2.227 10 0 CEAERO COc1cc([C@H](C)[NH3+])ccc1O[C@@H]1CCC[C@H]1O ZINC000103956190 185868334 /nfs/dbraw/zinc/86/83/34/185868334.db2.gz YJTPVVKTOXCUHZ-MVWJERBFSA-N 1 0 251.326 2.007 10 0 CEAERO CC(C)Oc1ncccc1CN[C@H]1CCC[N@H+](C)CC1 ZINC000086818896 179348942 /nfs/dbraw/zinc/34/89/42/179348942.db2.gz QWUZSVHLUHJDDH-HNNXBMFYSA-N 1 0 277.412 2.443 10 0 CEAERO CC[C@](C)([NH3+])C(=O)Nc1ccc(Br)c(C)n1 ZINC000086808394 179340795 /nfs/dbraw/zinc/34/07/95/179340795.db2.gz RUNXSVOPRZJCIY-NSHDSACASA-N 1 0 286.173 2.218 10 0 CEAERO COc1ccc([C@@]2(O)CCC[N@H+](C)CC2)c(OC)c1 ZINC000086834121 179349545 /nfs/dbraw/zinc/34/95/45/179349545.db2.gz ISCIDNYMPDAAHI-OAHLLOKOSA-N 1 0 265.353 2.007 10 0 CEAERO CCC([NH3+])(CC)C(=O)Nc1ncc(Br)s1 ZINC000086813107 179342720 /nfs/dbraw/zinc/34/27/20/179342720.db2.gz QOCBEYHYLJGULV-UHFFFAOYSA-N 1 0 292.202 2.362 10 0 CEAERO C[N@@H+]1CCC[C@](NC2CC2)(c2nccs2)CC1 ZINC000086833743 179350662 /nfs/dbraw/zinc/35/06/62/179350662.db2.gz YBBHCSYHXHALLV-CYBMUJFWSA-N 1 0 251.399 2.206 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2cccc(NC(N)=O)c2)CC1 ZINC000086840168 179351994 /nfs/dbraw/zinc/35/19/94/179351994.db2.gz SVFOCTZBSHXYCT-GFCCVEGCSA-N 1 0 276.384 2.464 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NCc2ccnc(OC)c2)CC1 ZINC000086844671 179355141 /nfs/dbraw/zinc/35/51/41/179355141.db2.gz CZQZABAICAIRQD-CQSZACIVSA-N 1 0 263.385 2.054 10 0 CEAERO CC1(C)CC[C@H](S(=O)(=O)c2cccs2)[C@H]1[NH3+] ZINC000086866845 179360567 /nfs/dbraw/zinc/36/05/67/179360567.db2.gz FEORCXQPLNJTQF-WCBMZHEXSA-N 1 0 259.396 2.038 10 0 CEAERO CC[C@@H](c1nc(C)cc(C(C)C)n1)N1CC[NH2+]CC1 ZINC000104060016 185889348 /nfs/dbraw/zinc/88/93/48/185889348.db2.gz OYQALRXVPFHVOX-AWEZNQCLSA-N 1 0 262.401 2.265 10 0 CEAERO CC(C)[N@@H+]1CCC[C@H]([NH+](C)C(C)(C)C(=O)[O-])CC1 ZINC000086868959 179361391 /nfs/dbraw/zinc/36/13/91/179361391.db2.gz YNUSDEMNFGKTKJ-LBPRGKRZSA-N 1 0 256.390 2.044 10 0 CEAERO CCC[N@@H+]1CCC[C@H]([NH+]2CCCC[C@@H]2C(=O)[O-])CC1 ZINC000086868602 179361576 /nfs/dbraw/zinc/36/15/76/179361576.db2.gz AJBCWHYSSWPDIK-UONOGXRCSA-N 1 0 268.401 2.190 10 0 CEAERO CCC[N@@H+]1CCC[C@H]([NH+](CC(=O)[O-])C(C)C)CC1 ZINC000086868754 179362677 /nfs/dbraw/zinc/36/26/77/179362677.db2.gz IHDNPOHKDVNXNR-ZDUSSCGKSA-N 1 0 256.390 2.046 10 0 CEAERO CCC[N@@H+]1CCC[C@H]([NH+](CC(=O)[O-])[C@@H](C)CC)CC1 ZINC000086868832 179362762 /nfs/dbraw/zinc/36/27/62/179362762.db2.gz KFGRIJGYADAERY-KBPBESRZSA-N 1 0 270.417 2.436 10 0 CEAERO CCC[NH2+][C@H](C)[C@@H](c1nc(CCOC)no1)C(C)C ZINC000104066003 185891312 /nfs/dbraw/zinc/89/13/12/185891312.db2.gz DKNVSILLWCKHKV-YPMHNXCESA-N 1 0 269.389 2.386 10 0 CEAERO C[C@@H]([NH2+][C@H]1CCCOCC1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000086873244 179364407 /nfs/dbraw/zinc/36/44/07/179364407.db2.gz FVVMVDJYICSHNI-PWSUYJOCSA-N 1 0 275.352 2.076 10 0 CEAERO CCOC(=O)[C@]1(NCC(C)C)CCC[N@@H+](C(C)C)CC1 ZINC000086850286 179358387 /nfs/dbraw/zinc/35/83/87/179358387.db2.gz DLNQGQSUQQGXAW-INIZCTEOSA-N 1 0 284.444 2.428 10 0 CEAERO Cc1csc([C@@]2(N)CCC[N@@H+](C(C)C)CC2)n1 ZINC000086851297 179359011 /nfs/dbraw/zinc/35/90/11/179359011.db2.gz QYONFRINKKHUKL-CYBMUJFWSA-N 1 0 253.415 2.500 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC000086979061 179372489 /nfs/dbraw/zinc/37/24/89/179372489.db2.gz INFOTQPGXACCMX-CYBMUJFWSA-N 1 0 291.363 2.050 10 0 CEAERO C[NH2+][C@@H](CC1CCOCC1)[C@@H]1CSCCS1 ZINC000086984891 179373998 /nfs/dbraw/zinc/37/39/98/179373998.db2.gz XEHKSQDRBQNQQS-RYUDHWBXSA-N 1 0 261.456 2.240 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH2+]C)c1ccc(C)cc1 ZINC000086978657 179372689 /nfs/dbraw/zinc/37/26/89/179372689.db2.gz HDAMGIIWHTUHFN-AWEZNQCLSA-N 1 0 269.410 2.470 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH3+])c1cc(F)ccc1C ZINC000086979305 179373007 /nfs/dbraw/zinc/37/30/07/179373007.db2.gz UZDKJBIFZRFFQA-CYBMUJFWSA-N 1 0 273.373 2.349 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH3+])Cc1ccc(F)cc1F ZINC000086979815 179373167 /nfs/dbraw/zinc/37/31/67/179373167.db2.gz KBQHNSLOMJDBMM-GFCCVEGCSA-N 1 0 291.363 2.050 10 0 CEAERO CCS(=O)(=O)CCC[C@@H](Cc1cccs1)[NH2+]C ZINC000086979318 179373250 /nfs/dbraw/zinc/37/32/50/179373250.db2.gz PSQABFYITTVDRV-NSHDSACASA-N 1 0 275.439 2.094 10 0 CEAERO CC[C@@H]([NH3+])Cc1cccc(OCCCS(=O)(=O)CC)c1 ZINC000086980039 179373487 /nfs/dbraw/zinc/37/34/87/179373487.db2.gz NLPLZEITWDEDJU-CQSZACIVSA-N 1 0 299.436 2.170 10 0 CEAERO CC[NH2+][C@@H]1CCC[C@@H](CCCS(=O)(=O)CC)C1 ZINC000086981716 179374055 /nfs/dbraw/zinc/37/40/55/179374055.db2.gz QDHMQYKPRFNCTD-QWHCGFSZSA-N 1 0 261.431 2.370 10 0 CEAERO COc1ccc([C@H](C[NH3+])N(C)Cc2ccccn2)cc1F ZINC000086983604 179373840 /nfs/dbraw/zinc/37/38/40/179373840.db2.gz LOPBWYZEFOOUDQ-HNNXBMFYSA-N 1 0 289.354 2.361 10 0 CEAERO Oc1ccc2c(c1)OC[C@H]2[NH2+]CC1(O)CCCCC1 ZINC000087016959 179380341 /nfs/dbraw/zinc/38/03/41/179380341.db2.gz LQUJKEYZRBUUEP-CYBMUJFWSA-N 1 0 263.337 2.111 10 0 CEAERO C[NH2+]CCN(C)C(=O)c1cc(C)c(Br)s1 ZINC000087017979 179380838 /nfs/dbraw/zinc/38/08/38/179380838.db2.gz QVXBPKCPWOGXMJ-UHFFFAOYSA-N 1 0 291.214 2.110 10 0 CEAERO COCC1CCN([C@H](C[NH3+])c2ccc(OC)c(F)c2)CC1 ZINC000086992355 179375354 /nfs/dbraw/zinc/37/53/54/179375354.db2.gz PSPSWUFRQOQTAT-OAHLLOKOSA-N 1 0 296.386 2.193 10 0 CEAERO CCN(C[C@H]1CCCO1)[C@@H](C[NH3+])c1ccc(OC)c(F)c1 ZINC000086991813 179375490 /nfs/dbraw/zinc/37/54/90/179375490.db2.gz TZGUPOQNMYUISB-HIFRSBDPSA-N 1 0 296.386 2.335 10 0 CEAERO C[C@@H](NC(=O)c1c(F)cc(F)cc1F)[C@H]1CCCC[NH2+]1 ZINC000086996392 179376981 /nfs/dbraw/zinc/37/69/81/179376981.db2.gz AFZGGJDDFVFTQZ-PRHODGIISA-N 1 0 286.297 2.364 10 0 CEAERO CCC1(CC)C[NH2+]C[C@H](c2ccc(S(C)(=O)=O)cc2)O1 ZINC000087007182 179378407 /nfs/dbraw/zinc/37/84/07/179378407.db2.gz JUQZKTLQHRSEKK-CQSZACIVSA-N 1 0 297.420 2.310 10 0 CEAERO CC1CCC(O)(C[NH2+]C[C@@H](O)COC2CCCCC2)CC1 ZINC000087061763 179389465 /nfs/dbraw/zinc/38/94/65/179389465.db2.gz SAFYGLUGNKOWEH-ISXOHVOVSA-N 1 0 299.455 2.227 10 0 CEAERO C[C@H]1CCC[C@](O)(C[NH2+]Cc2ccc3c(c2)OCO3)C1 ZINC000087051286 179388869 /nfs/dbraw/zinc/38/88/69/179388869.db2.gz TYIVATIPFMKJCQ-BLLLJJGKSA-N 1 0 277.364 2.446 10 0 CEAERO CC1CCC(O)(C[NH2+]CC(=O)Nc2ccccc2F)CC1 ZINC000087062094 179389427 /nfs/dbraw/zinc/38/94/27/179389427.db2.gz TYRCIBHFZQGZPP-UHFFFAOYSA-N 1 0 294.370 2.295 10 0 CEAERO CC[NH2+][C@@H](CCCS(=O)(=O)CC)CSC(C)C ZINC000087113230 179395186 /nfs/dbraw/zinc/39/51/86/179395186.db2.gz KSVWMTTUBCWDRV-LBPRGKRZSA-N 1 0 281.487 2.321 10 0 CEAERO CCC1CCC(O)(C[NH2+]Cc2cnc(C)[nH]2)CC1 ZINC000087061413 179389637 /nfs/dbraw/zinc/38/96/37/179389637.db2.gz SPTDMMSQWFBXRM-UHFFFAOYSA-N 1 0 251.374 2.139 10 0 CEAERO Cc1nc(C[NH2+]CC2(O)CCC(C)CC2)oc1C ZINC000087063146 179389937 /nfs/dbraw/zinc/38/99/37/179389937.db2.gz DYQAVIYTHFQETI-UHFFFAOYSA-N 1 0 252.358 2.322 10 0 CEAERO CCC[C@]1(C(=O)NCC2(O)CCC(C)CC2)CCC[NH2+]C1 ZINC000087068629 179390666 /nfs/dbraw/zinc/39/06/66/179390666.db2.gz BQXGGJVBSWCGLK-WIHSUSGWSA-N 1 0 296.455 2.214 10 0 CEAERO [NH3+]C1(CC(=O)NCC2(O)CCCCCC2)CCCCC1 ZINC000087089941 179393318 /nfs/dbraw/zinc/39/33/18/179393318.db2.gz OPHKOZBWJQVFAT-UHFFFAOYSA-N 1 0 282.428 2.240 10 0 CEAERO COc1ccc(C[C@@]2(C)C[NH2+]C[C@@H](C)O2)cc1OC ZINC000087090083 179394162 /nfs/dbraw/zinc/39/41/62/179394162.db2.gz OCIFCVOTWUUGFU-ABAIWWIYSA-N 1 0 265.353 2.013 10 0 CEAERO CC[C@H](C)SC[C@H](Cc1cnccc1N)[NH2+]C ZINC000087135885 179396773 /nfs/dbraw/zinc/39/67/73/179396773.db2.gz SNGNJQYZMHSWKZ-JQWIXIFHSA-N 1 0 253.415 2.326 10 0 CEAERO C[NH2+][C@@H](CCCS(C)(=O)=O)CSc1ccccc1 ZINC000087162387 179398513 /nfs/dbraw/zinc/39/85/13/179398513.db2.gz YDPQINJAFZAVBW-LBPRGKRZSA-N 1 0 287.450 2.192 10 0 CEAERO CC(C)[N@@H+]1CCC[C@](O)(CC2CCOCC2)CC1 ZINC000087186693 179399699 /nfs/dbraw/zinc/39/96/99/179399699.db2.gz IRXNSECAXUXALW-OAHLLOKOSA-N 1 0 255.402 2.429 10 0 CEAERO Cc1oc(C)c(C(=O)Nc2ccc(C[NH3+])cn2)c1C ZINC000087188251 179399916 /nfs/dbraw/zinc/39/99/16/179399916.db2.gz LDPGKEGGFPAMRH-UHFFFAOYSA-N 1 0 259.309 2.311 10 0 CEAERO CC[C@H]([NH3+])Cc1c(C)nn(CC[C@H]2CCCO2)c1C ZINC000087277357 179407172 /nfs/dbraw/zinc/40/71/72/179407172.db2.gz DVVIYRFAYHYCQD-UONOGXRCSA-N 1 0 265.401 2.349 10 0 CEAERO CC[C@@H](Cc1nc(CSCC(C)C)no1)[NH2+]C ZINC000087126283 179396097 /nfs/dbraw/zinc/39/60/97/179396097.db2.gz MBGOPYNXBXBQJP-JTQLQIEISA-N 1 0 257.403 2.499 10 0 CEAERO [NH3+]C[C@H](c1ccccc1)[C@@H](O)c1ccc2c(c1)OCCO2 ZINC000087349667 179415069 /nfs/dbraw/zinc/41/50/69/179415069.db2.gz PHWLIDWBPBHRDN-PBHICJAKSA-N 1 0 285.343 2.234 10 0 CEAERO COc1ccc([C@H](C[NH3+])[C@@H](O)c2ccc(C)o2)cc1OC ZINC000087370452 179416460 /nfs/dbraw/zinc/41/64/60/179416460.db2.gz MXDRJMPLXSKMKH-BLLLJJGKSA-N 1 0 291.347 2.381 10 0 CEAERO COc1cccc(OC)c1[C@H](O)[C@@H](C[NH3+])CC(C)C ZINC000087379057 179417561 /nfs/dbraw/zinc/41/75/61/179417561.db2.gz YHRNDTAAVMVMRE-IAQYHMDHSA-N 1 0 267.369 2.358 10 0 CEAERO [NH3+]C[C@H](c1ccc(F)cc1F)[C@@H](O)c1ccoc1 ZINC000087382584 179418212 /nfs/dbraw/zinc/41/82/12/179418212.db2.gz ATXHPKITGHJFBJ-YPMHNXCESA-N 1 0 253.248 2.334 10 0 CEAERO CC[C@@H](C)c1ccc(S(=O)(=O)N[C@H](C[NH3+])C(C)C)cc1 ZINC000087404722 179419880 /nfs/dbraw/zinc/41/98/80/179419880.db2.gz FRHWOBFZOGQZGO-IUODEOHRSA-N 1 0 298.452 2.462 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)c1snnc1C(C)C ZINC000087443056 179426136 /nfs/dbraw/zinc/42/61/36/179426136.db2.gz KOPCQPSLMQQNRW-WDEREUQCSA-N 1 0 296.440 2.264 10 0 CEAERO C[C@H]1CCC[C@](C[NH2+]CC2(O)CCCC2)(N(C)C)C1 ZINC000087459879 179429273 /nfs/dbraw/zinc/42/92/73/179429273.db2.gz SRUAOXIMBKGSBW-GJZGRUSLSA-N 1 0 268.445 2.392 10 0 CEAERO CC[NH2+][C@@H](Cc1nc(-c2cnn(C)c2)no1)C(C)(C)C ZINC000087427048 179424356 /nfs/dbraw/zinc/42/43/56/179424356.db2.gz MNPQDQMGHKSYAU-NSHDSACASA-N 1 0 277.372 2.037 10 0 CEAERO Cc1nc(-c2nc(C[C@H]3CCC[NH2+]C3)no2)cs1 ZINC000087429457 179425167 /nfs/dbraw/zinc/42/51/67/179425167.db2.gz XQIYHGMWZISNKH-SECBINFHSA-N 1 0 264.354 2.044 10 0 CEAERO Cc1csc(Cc2noc([C@H](C[NH3+])C(C)C)n2)n1 ZINC000087501338 179435681 /nfs/dbraw/zinc/43/56/81/179435681.db2.gz GRGQATPVBNGYNY-SECBINFHSA-N 1 0 266.370 2.124 10 0 CEAERO C[C@@H](CN(C)Cc1ccccc1)[NH2+]CC1(O)CCCC1 ZINC000309848303 539634582 /nfs/dbraw/zinc/63/45/82/539634582.db2.gz ZBTZXYXMZJXIMX-HNNXBMFYSA-N 1 0 276.424 2.402 10 0 CEAERO CC(C)([NH3+])C(C)(C)C(=O)Nc1ccc2c(c1)CCO2 ZINC000087627740 179458988 /nfs/dbraw/zinc/45/89/88/179458988.db2.gz SJXFLRCAIADRCO-UHFFFAOYSA-N 1 0 262.353 2.324 10 0 CEAERO C[C@H](CCC[C@H](C)[NH3+])C(=O)NCCN(C)c1ccccc1 ZINC000087699349 179472949 /nfs/dbraw/zinc/47/29/49/179472949.db2.gz OCWVYYSVOUALQJ-CABCVRRESA-N 1 0 291.439 2.393 10 0 CEAERO CC[NH2+]C[C@@H](C)Cc1c(C)nc(-c2cnn(C)c2)nc1C ZINC000087707232 179474653 /nfs/dbraw/zinc/47/46/53/179474653.db2.gz MHZXUCQLZJDJIC-NSHDSACASA-N 1 0 287.411 2.282 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]CCC(=O)N(CC)CC)C12CCC2 ZINC000087710235 179475405 /nfs/dbraw/zinc/47/54/05/179475405.db2.gz QLEOTDHYFMJSAC-ZIAGYGMSSA-N 1 0 282.428 2.182 10 0 CEAERO Cc1nn(C)c(C[C@@H]([NH3+])[C@H]2CCCS2)c1Cl ZINC000087711818 179476422 /nfs/dbraw/zinc/47/64/22/179476422.db2.gz DCBRRDNWADPLPP-PSASIEDQSA-N 1 0 259.806 2.147 10 0 CEAERO CC[C@H]([NH3+])[C@@](O)(c1ccc(OC)cc1C)C(F)(F)F ZINC000087753601 179482188 /nfs/dbraw/zinc/48/21/88/179482188.db2.gz CODDATYKGHRYTJ-RYUDHWBXSA-N 1 0 277.286 2.491 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N(C)Cc1ccc(OC)c(F)c1 ZINC000087523016 179440189 /nfs/dbraw/zinc/44/01/89/179440189.db2.gz DDUDKPZGNGFNGQ-GFCCVEGCSA-N 1 0 282.359 2.168 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)N1CCC[C@H]1c1cccs1 ZINC000087524356 179440795 /nfs/dbraw/zinc/44/07/95/179440795.db2.gz JIPPCSWBRZZDTH-QWRGUYRKSA-N 1 0 252.383 2.397 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)N1CCC[C@H]1c1cc(C)no1 ZINC000087527254 179441207 /nfs/dbraw/zinc/44/12/07/179441207.db2.gz MQZGHTWTISZZRP-RYUDHWBXSA-N 1 0 265.357 2.022 10 0 CEAERO CC[NH2+]C[C@@](C)(O)c1sccc1Br ZINC000087571915 179447493 /nfs/dbraw/zinc/44/74/93/179447493.db2.gz MVVSGKUJVLAQLR-SECBINFHSA-N 1 0 264.188 2.328 10 0 CEAERO C[NH2+]C1(CC(=O)Nc2nccs2)CCCCC1 ZINC000087576588 179448448 /nfs/dbraw/zinc/44/84/48/179448448.db2.gz BEALPGDMEAKOKL-UHFFFAOYSA-N 1 0 253.371 2.394 10 0 CEAERO C[NH2+]C1(CC(=O)NCCC(F)(F)F)CCCCC1 ZINC000087577845 179449035 /nfs/dbraw/zinc/44/90/35/179449035.db2.gz DLRKEBJRUKSIDA-UHFFFAOYSA-N 1 0 266.307 2.367 10 0 CEAERO C[NH2+]C1(CC(=O)NC[C@]2(O)CCC[C@@H](C)C2)CCCCC1 ZINC000087578091 179449109 /nfs/dbraw/zinc/44/91/09/179449109.db2.gz BALPBSIFNCVLNE-PBHICJAKSA-N 1 0 296.455 2.356 10 0 CEAERO Cc1cc(CN2CC[C@@H]([NH2+]C(C)C)C2=O)sc1C ZINC000087583060 179450737 /nfs/dbraw/zinc/45/07/37/179450737.db2.gz UAAYXLUWJJWAPA-CYBMUJFWSA-N 1 0 266.410 2.464 10 0 CEAERO C[C@H](CC1CC1)NC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000087619726 179455779 /nfs/dbraw/zinc/45/57/79/179455779.db2.gz WRKGQEXGEWMSLE-ABAIWWIYSA-N 1 0 258.365 2.178 10 0 CEAERO CCc1nc(N(CC(C)C)C(C)C)cc(NN)[nH+]1 ZINC000087906931 179517406 /nfs/dbraw/zinc/51/74/06/179517406.db2.gz NETRMFLVMXVOSB-UHFFFAOYSA-N 1 0 251.378 2.195 10 0 CEAERO Nc1ccc([C@H]2C[N@H+](Cc3ccccc3)CCN2)cc1 ZINC000616632836 348540851 /nfs/dbraw/zinc/54/08/51/348540851.db2.gz BWQCYAQVWHKIOP-QGZVFWFLSA-N 1 0 267.376 2.415 10 0 CEAERO CCOC(=O)c1ccc([C@@H]2C[N@@H+](C(C)C)CCN2)cc1 ZINC000616633014 348541654 /nfs/dbraw/zinc/54/16/54/348541654.db2.gz WETUBVLPMHXJAS-HNNXBMFYSA-N 1 0 276.380 2.218 10 0 CEAERO CC(C)(C)[N@@H+]1CCOC[C@@H](c2ccccc2CO)C1 ZINC000616660019 348551955 /nfs/dbraw/zinc/55/19/55/348551955.db2.gz JHDQDLPQBZPBFJ-AWEZNQCLSA-N 1 0 263.381 2.393 10 0 CEAERO CC(=O)Nc1ccc([C@H]2C[NH2+]CCN2C(C)(C)C)cc1 ZINC000616636856 348542925 /nfs/dbraw/zinc/54/29/25/348542925.db2.gz FUTWKJCGOKNXOI-OAHLLOKOSA-N 1 0 275.396 2.390 10 0 CEAERO [NH3+]CCN1CCCOC[C@H]1c1cccc(Cl)c1 ZINC000616646020 348546025 /nfs/dbraw/zinc/54/60/25/348546025.db2.gz RSNDVJMJBQTODY-ZDUSSCGKSA-N 1 0 254.761 2.062 10 0 CEAERO COc1cccc(N[C@@]2(C[NH3+])CCOC(C)(C)C2)c1 ZINC000087916570 179522917 /nfs/dbraw/zinc/52/29/17/179522917.db2.gz AHGGMGGBYPKMQF-HNNXBMFYSA-N 1 0 264.369 2.394 10 0 CEAERO CC[N@@H+]1CCCOC[C@H]1CCNC(=O)OC(C)(C)C ZINC000616648234 348546942 /nfs/dbraw/zinc/54/69/42/348546942.db2.gz BWRUBAUHVLPZNL-GFCCVEGCSA-N 1 0 272.389 2.012 10 0 CEAERO Nc1cc([C@H]2C[N@H+](Cc3ccccc3)CCCO2)ccn1 ZINC000616650517 348547900 /nfs/dbraw/zinc/54/79/00/348547900.db2.gz AVEFLFJYMIAYNC-MRXNPFEDSA-N 1 0 283.375 2.458 10 0 CEAERO CC1(C)CCC([C@H]([NH3+])CCCS(C)(=O)=O)CC1 ZINC000087942054 179528256 /nfs/dbraw/zinc/52/82/56/179528256.db2.gz GREGFWYVLHOJDC-GFCCVEGCSA-N 1 0 261.431 2.355 10 0 CEAERO C[NH2+]CCCc1c(C)nc([C@H]2CCCOC2)nc1C ZINC000087815514 179491091 /nfs/dbraw/zinc/49/10/91/179491091.db2.gz HUMILBGCZJWNEM-ZDUSSCGKSA-N 1 0 263.385 2.139 10 0 CEAERO CCOCCN(CC)C[C@@H]([NH2+]C)c1ccccc1 ZINC000104186847 185919316 /nfs/dbraw/zinc/91/93/16/185919316.db2.gz GRQVBHQYKPKQBQ-OAHLLOKOSA-N 1 0 250.386 2.306 10 0 CEAERO C[NH2+][C@@H](Cc1ccc(F)cc1Cl)[C@H]1COCCO1 ZINC000087857477 179502535 /nfs/dbraw/zinc/50/25/35/179502535.db2.gz MXUNMYLQKCPZSO-QWHCGFSZSA-N 1 0 273.735 2.025 10 0 CEAERO [NH3+][C@@H]1CN(C(=O)CC2CC2)CC[C@@H]1c1ccc(F)cc1 ZINC000616569927 348523684 /nfs/dbraw/zinc/52/36/84/348523684.db2.gz LAQUUABAAJCFSE-HUUCEWRRSA-N 1 0 276.355 2.269 10 0 CEAERO CC(C)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000616571240 348524368 /nfs/dbraw/zinc/52/43/68/348524368.db2.gz PWTKTEJSHDDDCX-KBPBESRZSA-N 1 0 264.344 2.043 10 0 CEAERO C[C@@H](Cc1ccsc1)Nc1nc(NN)[nH+]cc1F ZINC000087865438 179505250 /nfs/dbraw/zinc/50/52/50/179505250.db2.gz VMRRPOZTMMZQNQ-ZETCQYMHSA-N 1 0 267.333 2.006 10 0 CEAERO CC[N@@H+]1CCc2ccccc2[C@@H]1c1ccnc(N)c1 ZINC000616585885 348526941 /nfs/dbraw/zinc/52/69/41/348526941.db2.gz CZBGFXUOAPHNEY-INIZCTEOSA-N 1 0 253.349 2.462 10 0 CEAERO [NH3+]CCN1CCC[C@H](c2cccc3nnccc32)CC1 ZINC000616600450 348530068 /nfs/dbraw/zinc/53/00/68/348530068.db2.gz JMXXLCKGGSWISC-ZDUSSCGKSA-N 1 0 270.380 2.158 10 0 CEAERO CC[N@@H+]1CCOCC[C@@H]1c1cccc(NC(C)=O)c1 ZINC000616598996 348530384 /nfs/dbraw/zinc/53/03/84/348530384.db2.gz NPMDIWPUFRAQMN-OAHLLOKOSA-N 1 0 262.353 2.428 10 0 CEAERO CC[N@@H+]1CCOCC[C@H]1c1ccc(NC(C)=O)cc1 ZINC000616599185 348530491 /nfs/dbraw/zinc/53/04/91/348530491.db2.gz XJVLWKXHQSWNGK-HNNXBMFYSA-N 1 0 262.353 2.428 10 0 CEAERO OCC[N@@H+]1CCC[C@@H](c2ccc3ccnnc3c2)CC1 ZINC000616602068 348531014 /nfs/dbraw/zinc/53/10/14/348531014.db2.gz ROWIEIZUZNOSOM-CYBMUJFWSA-N 1 0 271.364 2.192 10 0 CEAERO c1coc([C@@H]2COCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000616658803 348551117 /nfs/dbraw/zinc/55/11/17/348551117.db2.gz FJHGJDUUUPWZKP-AWEZNQCLSA-N 1 0 258.321 2.291 10 0 CEAERO OCC[N@@H+]1CCCC[C@@H]1c1ccc2ccnnc2c1 ZINC000616614920 348535151 /nfs/dbraw/zinc/53/51/51/348535151.db2.gz ZRHOPGOCFLMSIL-OAHLLOKOSA-N 1 0 257.337 2.149 10 0 CEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H](c2ccno2)C1 ZINC000616619992 348536474 /nfs/dbraw/zinc/53/64/74/348536474.db2.gz MEVBNHPFJCYBBL-GFCCVEGCSA-N 1 0 295.383 2.379 10 0 CEAERO [NH3+]CCN1CCC[C@H](c2cccc3cccnc32)C1 ZINC000616620875 348537236 /nfs/dbraw/zinc/53/72/36/348537236.db2.gz MZKPYRQQPVJBHH-AWEZNQCLSA-N 1 0 255.365 2.373 10 0 CEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H](c2c[nH]cn2)C1 ZINC000616621515 348537254 /nfs/dbraw/zinc/53/72/54/348537254.db2.gz QSSAOAPUECGYOP-LBPRGKRZSA-N 1 0 294.399 2.114 10 0 CEAERO Nc1cc[nH+]cc1C[C@H](O)[C@@H]1CCc2ccccc2C1 ZINC000088016719 179536010 /nfs/dbraw/zinc/53/60/10/179536010.db2.gz OGMMAMTTYBFFGE-PBHICJAKSA-N 1 0 268.360 2.372 10 0 CEAERO C[NH2+][C@H](Cc1cccnc1N)[C@H]1COc2ccccc2C1 ZINC000088021448 179536434 /nfs/dbraw/zinc/53/64/34/179536434.db2.gz RNOYLQPVJLQBGL-HUUCEWRRSA-N 1 0 283.375 2.046 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH3+])[C@H]1CCc2ccccc21 ZINC000088030108 179537100 /nfs/dbraw/zinc/53/71/00/179537100.db2.gz URIOGGRHIRVPDJ-LSDHHAIUSA-N 1 0 281.421 2.259 10 0 CEAERO CCCC1CCC([NH3+])([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000088044282 179538910 /nfs/dbraw/zinc/53/89/10/179538910.db2.gz FZVFZLDWQXZZHG-OTTFEQOBSA-N 1 0 259.415 2.109 10 0 CEAERO c1cc(CC[NH2+]CC[C@H]2CCCO2)cc2c1OCC2 ZINC000088101405 179548016 /nfs/dbraw/zinc/54/80/16/179548016.db2.gz YPDVKVOFYYCHAI-OAHLLOKOSA-N 1 0 261.365 2.323 10 0 CEAERO Cc1nnc(COc2cccc3c2CCC[C@H]3[NH3+])o1 ZINC000088150899 179557137 /nfs/dbraw/zinc/55/71/37/179557137.db2.gz FYKAARYRZPPKBL-GFCCVEGCSA-N 1 0 259.309 2.293 10 0 CEAERO CN(CCc1ccccc1)[C@@H](CC[NH3+])C(F)(F)F ZINC000088193959 179562386 /nfs/dbraw/zinc/56/23/86/179562386.db2.gz WJLCKCXTOYFENX-LBPRGKRZSA-N 1 0 260.303 2.441 10 0 CEAERO Nc1cc([C@H]2CC[N@H+](Cc3ccccc3)CCO2)ccn1 ZINC000616662336 348553843 /nfs/dbraw/zinc/55/38/43/348553843.db2.gz HEXSCIWPZLJCKC-MRXNPFEDSA-N 1 0 283.375 2.458 10 0 CEAERO OCCc1ccccc1[C@H]1c2ccccc2CC[N@H+]1CCO ZINC000616679213 348558314 /nfs/dbraw/zinc/55/83/14/348558314.db2.gz RTNOSDKLRLEPIB-LJQANCHMSA-N 1 0 297.398 2.161 10 0 CEAERO CCCCCCN(CCO)C(=O)C[C@@H](C[NH3+])CC(C)C ZINC000088277406 179574556 /nfs/dbraw/zinc/57/45/56/179574556.db2.gz XMNUMCNVRSZQHQ-HNNXBMFYSA-N 1 0 286.460 2.399 10 0 CEAERO [NH3+]CCN1C[C@H](c2ccccn2)Nc2ccccc21 ZINC000616684876 348560240 /nfs/dbraw/zinc/56/02/40/348560240.db2.gz OGIPOFZLWGGTQH-CQSZACIVSA-N 1 0 254.337 2.014 10 0 CEAERO [NH3+]CCN1C[C@H](c2ccc(CO)cc2)Nc2ccccc21 ZINC000616684551 348560324 /nfs/dbraw/zinc/56/03/24/348560324.db2.gz KQDUSIUMWDFNSN-MRXNPFEDSA-N 1 0 283.375 2.111 10 0 CEAERO CC(C)(C)OC(=O)N1C[C@@H](C[NH3+])Nc2ccccc21 ZINC000616689339 348561599 /nfs/dbraw/zinc/56/15/99/348561599.db2.gz CGRKHOIJBXQJDA-SNVBAGLBSA-N 1 0 263.341 2.181 10 0 CEAERO CCOc1ccccc1OCC[N@H+](C)[C@H](C)CC(N)=S ZINC000088402025 179593887 /nfs/dbraw/zinc/59/38/87/179593887.db2.gz UQFQUKNQBGDZOV-GFCCVEGCSA-N 1 0 296.436 2.461 10 0 CEAERO C[C@@H]1CC[C@H](C(=O)N2CCC(C(F)(F)F)CC2)C[NH2+]1 ZINC000088431597 179598867 /nfs/dbraw/zinc/59/88/67/179598867.db2.gz IDFOIVAUDSIMBX-ZJUUUORDSA-N 1 0 278.318 2.175 10 0 CEAERO C[C@]1(C(=O)Nc2ncccc2Br)CCC[NH2+]C1 ZINC000088447164 179604862 /nfs/dbraw/zinc/60/48/62/179604862.db2.gz HMCNMDHCHMAGMV-LBPRGKRZSA-N 1 0 298.184 2.172 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H](C(=O)N2CCCc3ccccc3C2)C1 ZINC000088451113 179606492 /nfs/dbraw/zinc/60/64/92/179606492.db2.gz NHYSTULQLQWOJE-XJKSGUPXSA-N 1 0 272.392 2.207 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H](C(=O)NC2CCC(C)(C)CC2)C1 ZINC000088451358 179606525 /nfs/dbraw/zinc/60/65/25/179606525.db2.gz BYJWNVHIOISHES-NWDGAFQWSA-N 1 0 252.402 2.317 10 0 CEAERO CC[C@H](C)C[C@H](C)NS(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000088301952 179576792 /nfs/dbraw/zinc/57/67/92/179576792.db2.gz NITFIQNLCLVQMK-IHRRRGAJSA-N 1 0 290.473 2.263 10 0 CEAERO CC(C)CCOC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000104194193 185924206 /nfs/dbraw/zinc/92/42/06/185924206.db2.gz JDTWLBKVSONQJB-SNVBAGLBSA-N 1 0 253.264 2.118 10 0 CEAERO Cc1cccnc1C(=O)N1CC[NH2+]CC12CCCCC2 ZINC000088396091 179590977 /nfs/dbraw/zinc/59/09/77/179590977.db2.gz IZSOTWAKEGLCBY-UHFFFAOYSA-N 1 0 273.380 2.138 10 0 CEAERO COCc1ccccc1[C@H](O)[C@H]([NH3+])Cc1ccccc1 ZINC000088556303 179623815 /nfs/dbraw/zinc/62/38/15/179623815.db2.gz PXJREZCPOVFYTO-SJORKVTESA-N 1 0 271.360 2.436 10 0 CEAERO C[NH2+][C@H](Cc1ncnn1C)c1cccc(C(F)(F)F)c1 ZINC000088581668 179629530 /nfs/dbraw/zinc/62/95/30/179629530.db2.gz YRSRZTMRGKLHBD-LLVKDONJSA-N 1 0 284.285 2.337 10 0 CEAERO CCCn1ncnc1CN1CCCC[C@H]1[C@@H](C)[NH2+]CC ZINC000088584842 179630818 /nfs/dbraw/zinc/63/08/18/179630818.db2.gz GJNSAESZGLUREF-KGLIPLIRSA-N 1 0 279.432 2.041 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1c1nc(Cc2ccccc2F)no1 ZINC000104207579 185931736 /nfs/dbraw/zinc/93/17/36/185931736.db2.gz KJVKZYAJCXDAHP-ONGXEEELSA-N 1 0 261.300 2.122 10 0 CEAERO CCCn1ncnc1C[C@@H](Cc1cccc(OC)c1)[NH2+]C ZINC000088610975 179637944 /nfs/dbraw/zinc/63/79/44/179637944.db2.gz FEYDSHOSTLCRTO-CQSZACIVSA-N 1 0 288.395 2.070 10 0 CEAERO CC[NH2+][C@H](COc1ccccc1)Cc1ncnn1C(C)C ZINC000088611815 179638627 /nfs/dbraw/zinc/63/86/27/179638627.db2.gz DCMDIRDJUQPJLV-AWEZNQCLSA-N 1 0 288.395 2.459 10 0 CEAERO CC(C)n1ncnc1C[C@H]([NH3+])c1ccc(F)cc1F ZINC000088612051 179639210 /nfs/dbraw/zinc/63/92/10/179639210.db2.gz CAYLFHWRZOYDNA-LBPRGKRZSA-N 1 0 266.295 2.380 10 0 CEAERO CCC[NH2+][C@@H](Cc1ncnn1CCC)C1CCC1 ZINC000088612617 179639300 /nfs/dbraw/zinc/63/93/00/179639300.db2.gz RWSGSXVIDIYXHE-ZDUSSCGKSA-N 1 0 250.390 2.399 10 0 CEAERO CCC[C@@H]1CN(Cc2ncnn2CC)[C@H]([C@@H](C)CC)C[NH2+]1 ZINC000088625145 179641832 /nfs/dbraw/zinc/64/18/32/179641832.db2.gz ROOSGDHWWSUWCJ-ZNMIVQPWSA-N 1 0 293.459 2.287 10 0 CEAERO C[C@@]1(C2CC2)C[NH2+]CCN1Cc1ccncc1Cl ZINC000088791339 179672739 /nfs/dbraw/zinc/67/27/39/179672739.db2.gz VLAALRCEZJOJJR-AWEZNQCLSA-N 1 0 265.788 2.309 10 0 CEAERO C[NH2+][C@@H](C)C1CCN(S(=O)(=O)c2ccccc2C)CC1 ZINC000088714744 179656836 /nfs/dbraw/zinc/65/68/36/179656836.db2.gz AJWOSDDAGMUMSU-ZDUSSCGKSA-N 1 0 296.436 2.004 10 0 CEAERO CCc1nc(CC)n(-c2cc(C[NH2+]C3CC3)ccn2)n1 ZINC000088743849 179662640 /nfs/dbraw/zinc/66/26/40/179662640.db2.gz HYZJQDQYFLQXFY-UHFFFAOYSA-N 1 0 271.368 2.039 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@H]2CCC[NH2+]2)cc1F ZINC000088252771 539668985 /nfs/dbraw/zinc/66/89/85/539668985.db2.gz KXDAGOPJCAISIV-GXFFZTMASA-N 1 0 250.317 2.063 10 0 CEAERO Fc1ccc(CC[NH2+]CCOC(F)(F)F)cc1 ZINC000089051572 179694464 /nfs/dbraw/zinc/69/44/64/179694464.db2.gz ZJPULPKBUYKGKN-UHFFFAOYSA-N 1 0 251.223 2.494 10 0 CEAERO CCN(CC)C(=O)c1cc(N[C@@H]2CCC[C@H]2C[NH3+])ccn1 ZINC000089092132 179699565 /nfs/dbraw/zinc/69/95/65/179699565.db2.gz IGGAKPDEKPKLGC-GXTWGEPZSA-N 1 0 290.411 2.103 10 0 CEAERO CCOC(=O)c1cccnc1N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089108403 179704604 /nfs/dbraw/zinc/70/46/04/179704604.db2.gz UOPNVQRGVMLRFZ-WCQYABFASA-N 1 0 277.368 2.188 10 0 CEAERO CN(C(=O)c1ccccc1OC(F)F)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089109906 179705145 /nfs/dbraw/zinc/70/51/45/179705145.db2.gz WMEPOQPDISNVAL-ZYHUDNBSSA-N 1 0 298.333 2.487 10 0 CEAERO CN(C(=O)c1cccc(OC(F)F)c1)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089110872 179705917 /nfs/dbraw/zinc/70/59/17/179705917.db2.gz JMAZMQPBIHSUTH-WCQYABFASA-N 1 0 298.333 2.487 10 0 CEAERO Cc1cccc(NC(=O)CN(C)[C@@H]2CCC[C@@H]2C[NH3+])c1C ZINC000089112105 179706647 /nfs/dbraw/zinc/70/66/47/179706647.db2.gz QNOYAODTQGYKRI-GDBMZVCRSA-N 1 0 289.423 2.301 10 0 CEAERO CC[C@H]([NH3+])Cc1c(N(CC)CC)nc2ccccn21 ZINC000104258291 185946032 /nfs/dbraw/zinc/94/60/32/185946032.db2.gz SWYHROJPEUHHES-LBPRGKRZSA-N 1 0 260.385 2.460 10 0 CEAERO CC1(C)CN(c2c(F)cc(CC[NH3+])cc2F)CCO1 ZINC000104261812 185946605 /nfs/dbraw/zinc/94/66/05/185946605.db2.gz NFNNSNDNGPFAKI-UHFFFAOYSA-N 1 0 270.323 2.081 10 0 CEAERO CN(C(=O)Cc1ccsc1)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089118868 179710993 /nfs/dbraw/zinc/71/09/93/179710993.db2.gz SBWUVIHCJIYBQJ-OLZOCXBDSA-N 1 0 266.410 2.267 10 0 CEAERO CN(C(=O)c1cc(Cl)c[nH]1)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089119310 179711012 /nfs/dbraw/zinc/71/10/12/179711012.db2.gz USDCAHHDDZNKEJ-BXKDBHETSA-N 1 0 269.776 2.258 10 0 CEAERO C[C@@H]([NH3+])Cc1c(N2CCC[C@H]2C)nc2sccn12 ZINC000104276175 185952552 /nfs/dbraw/zinc/95/25/52/185952552.db2.gz SUOVBLTUGGIIPF-NXEZZACHSA-N 1 0 264.398 2.274 10 0 CEAERO CC[C@@H]([NH3+])Cc1c(C)nn(C)c1Sc1nncs1 ZINC000104297500 185958820 /nfs/dbraw/zinc/95/88/20/185958820.db2.gz RZICKIXEMFAOKK-MRVPVSSYSA-N 1 0 283.426 2.011 10 0 CEAERO CCn1nc(C[C@H]([NH3+])C[C@@H]2CCCO2)c2ccccc21 ZINC000089177368 179742716 /nfs/dbraw/zinc/74/27/16/179742716.db2.gz ZBXPQPZPGFBNQH-OLZOCXBDSA-N 1 0 273.380 2.495 10 0 CEAERO CC[NH2+][C@@H](Cc1nn(C)c2ccccc12)c1ccncn1 ZINC000089177871 179742739 /nfs/dbraw/zinc/74/27/39/179742739.db2.gz DRABWPLRDLLUSQ-HNNXBMFYSA-N 1 0 281.363 2.257 10 0 CEAERO C[NH2+][C@H](Cc1nn(C)c2ccccc12)c1ccccn1 ZINC000089177425 179742841 /nfs/dbraw/zinc/74/28/41/179742841.db2.gz ICKGEBPSCUPUIQ-OAHLLOKOSA-N 1 0 266.348 2.472 10 0 CEAERO CC[C@]1(C)C[NH2+]CCN1Cc1nn(C)c2ccccc12 ZINC000089180267 179744058 /nfs/dbraw/zinc/74/40/58/179744058.db2.gz WFNMTTKMQDQPON-MRXNPFEDSA-N 1 0 272.396 2.147 10 0 CEAERO CCc1cc(CNC[C@@H](C)C[NH+]2CCCC2)n(CC)n1 ZINC000089183954 179746152 /nfs/dbraw/zinc/74/61/52/179746152.db2.gz PTFLMQLMIIOXEL-CQSZACIVSA-N 1 0 278.444 2.287 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000089461767 539719208 /nfs/dbraw/zinc/71/92/08/539719208.db2.gz WDBNEMKPCRZJFC-CBAPKCEASA-N 1 0 272.270 2.417 10 0 CEAERO C[C@H]1C[C@@H](O)C[N@H+](CCCCC2CCOCC2)C1 ZINC000401761480 233184325 /nfs/dbraw/zinc/18/43/25/233184325.db2.gz WMKFIXJQEVTHMF-DZGCQCFKSA-N 1 0 255.402 2.286 10 0 CEAERO C[C@H]1C[C@H](O)C[N@H+](CCOc2cccc(Cl)c2)C1 ZINC000401723931 233185408 /nfs/dbraw/zinc/18/54/08/233185408.db2.gz ZJZRVWWNTYGVDE-AAEUAGOBSA-N 1 0 269.772 2.422 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1cc(F)cc(F)c1 ZINC000089449713 539715794 /nfs/dbraw/zinc/71/57/94/539715794.db2.gz RZKYHNLRBQAFEG-UFBFGSQYSA-N 1 0 254.280 2.278 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCc1ccc(Cl)cc1 ZINC000089450102 539715856 /nfs/dbraw/zinc/71/58/56/539715856.db2.gz AFGZDKAWFLPXAE-YPMHNXCESA-N 1 0 266.772 2.331 10 0 CEAERO Cc1ccc(F)c(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089450265 539715892 /nfs/dbraw/zinc/71/58/92/539715892.db2.gz QTCUWPNEIKVVCK-MNOVXSKESA-N 1 0 250.317 2.448 10 0 CEAERO COc1ccc(OC)c(NC(=O)[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000089449144 539716193 /nfs/dbraw/zinc/71/61/93/539716193.db2.gz YODKDMWTRSXCJN-JQWIXIFHSA-N 1 0 278.352 2.017 10 0 CEAERO CN(Cc1ccsc1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089450715 539716240 /nfs/dbraw/zinc/71/62/40/539716240.db2.gz CHZITGQCNWKTAA-RYUDHWBXSA-N 1 0 252.383 2.082 10 0 CEAERO CN(CCOc1ccc(F)cc1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089455647 539717300 /nfs/dbraw/zinc/71/73/00/539717300.db2.gz DRQILGVJKZTFKE-DOMZBBRYSA-N 1 0 294.370 2.038 10 0 CEAERO CC(C)CCN(C(=O)[C@H]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000089456237 539717576 /nfs/dbraw/zinc/71/75/76/539717576.db2.gz ZFHVYZRCWQTDKX-OCCSQVGLSA-N 1 0 252.402 2.399 10 0 CEAERO CCc1cc(CN2C[C@](C)(CC)[NH2+]C[C@@H]2C)n(CC)n1 ZINC000089210360 179755256 /nfs/dbraw/zinc/75/52/56/179755256.db2.gz XXWVBTGJQQAOEF-BBRMVZONSA-N 1 0 278.444 2.428 10 0 CEAERO CCO[C@H](C)[C@@H](Cc1c(Cl)c(CC)nn1C)[NH2+]C ZINC000089328523 179770122 /nfs/dbraw/zinc/77/01/22/179770122.db2.gz ZKIFHOUQQNJLNH-MWLCHTKSSA-N 1 0 273.808 2.191 10 0 CEAERO CCc1nn(C)c(CN2CC[NH2+]C[C@H]2C(C)(C)C)c1Cl ZINC000089346124 179771411 /nfs/dbraw/zinc/77/14/11/179771411.db2.gz GFXSOEGTUIIHMK-ZDUSSCGKSA-N 1 0 298.862 2.456 10 0 CEAERO COc1cc(NC(=O)[C@@H]2CCCC[C@H]2C[NH3+])cc(OC)c1 ZINC000089386020 179777723 /nfs/dbraw/zinc/77/77/23/179777723.db2.gz ILZBHSSUQOFWGH-XHDPSFHLSA-N 1 0 292.379 2.407 10 0 CEAERO COc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000089385498 179777786 /nfs/dbraw/zinc/77/77/86/179777786.db2.gz PEYCCYBUXBAFPO-SMDDNHRTSA-N 1 0 262.353 2.399 10 0 CEAERO C[C@@H]1C[C@H](C)CN(C(=O)[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000089386633 179777796 /nfs/dbraw/zinc/77/77/96/179777796.db2.gz TZTPVWTYFATHKN-XJFOESAGSA-N 1 0 252.402 2.256 10 0 CEAERO CCOc1cccc(CNC(=O)[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000089390318 179778690 /nfs/dbraw/zinc/77/86/90/179778690.db2.gz GBQPGNQLHOGIAF-GOEBONIOSA-N 1 0 290.407 2.467 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1C(=O)NC(C1CC1)C1CC1 ZINC000089395072 179779999 /nfs/dbraw/zinc/77/99/99/179779999.db2.gz POJZJJVIVIBJAC-STQMWFEESA-N 1 0 250.386 2.056 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@@H]1C(=O)NC(C1CC1)C1CC1 ZINC000089395078 179780076 /nfs/dbraw/zinc/78/00/76/179780076.db2.gz POJZJJVIVIBJAC-OLZOCXBDSA-N 1 0 250.386 2.056 10 0 CEAERO CCCc1nsc(NCC2(C)CC[NH2+]CC2)n1 ZINC000129467484 187432810 /nfs/dbraw/zinc/43/28/10/187432810.db2.gz VWSDNTDRFXVPRQ-UHFFFAOYSA-N 1 0 254.403 2.292 10 0 CEAERO C[C@@H](C[NH2+]C(C)(C)C)Sc1nnc(N(C)C)s1 ZINC000104310244 185963351 /nfs/dbraw/zinc/96/33/51/185963351.db2.gz YQLBXVOYGONXQA-QMMMGPOBSA-N 1 0 274.459 2.473 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1ccc(Cl)cn1 ZINC000089450200 179792371 /nfs/dbraw/zinc/79/23/71/179792371.db2.gz QWDIKLLPEHLEND-WCBMZHEXSA-N 1 0 253.733 2.049 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000089452143 179792880 /nfs/dbraw/zinc/79/28/80/179792880.db2.gz HNPWRBBUCVFDBN-BDAKNGLRSA-N 1 0 296.754 2.382 10 0 CEAERO CCOC(=O)c1ccc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089460210 179796074 /nfs/dbraw/zinc/79/60/74/179796074.db2.gz SHWDBBPZLRQZFQ-OCCSQVGLSA-N 1 0 290.363 2.177 10 0 CEAERO Cc1cnc(C)c(N[C@@H](C[NH3+])Cc2ccccc2)n1 ZINC000104312898 185964490 /nfs/dbraw/zinc/96/44/90/185964490.db2.gz DQLLPCSEWLZDDT-CQSZACIVSA-N 1 0 256.353 2.075 10 0 CEAERO Cc1ccc(CC(=O)NC[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089500338 179804797 /nfs/dbraw/zinc/80/47/97/179804797.db2.gz 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TXKITIUIIAFRRV-HZPDHXFCSA-N 1 0 292.423 2.142 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1CN1CCc2sccc2C1 ZINC000090565983 180005378 /nfs/dbraw/zinc/00/53/78/180005378.db2.gz KNNRRQPQPIUVFN-ZIAGYGMSSA-N 1 0 280.437 2.121 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1CN[C@@H](CC)c1nccs1 ZINC000090567122 180006357 /nfs/dbraw/zinc/00/63/57/180006357.db2.gz WUSCXKCYSVVDHE-FRRDWIJNSA-N 1 0 283.441 2.198 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1CN[C@@H](C)c1nc(C)cs1 ZINC000090567134 180006517 /nfs/dbraw/zinc/00/65/17/180006517.db2.gz IQICKTDUQCJPLA-YNEHKIRRSA-N 1 0 283.441 2.117 10 0 CEAERO CCn1c2ccc(Cl)cc2nc1[C@]1(C)COC[C@H]1[NH3+] ZINC000090571738 180007244 /nfs/dbraw/zinc/00/72/44/180007244.db2.gz UBJYXKGQMDAPKH-TZMCWYRMSA-N 1 0 279.771 2.325 10 0 CEAERO C[C@@]1(c2nc(-c3ccc(Cl)cc3)no2)COC[C@@H]1[NH3+] ZINC000090573122 180007595 /nfs/dbraw/zinc/00/75/95/180007595.db2.gz BYWCLPGYUDPPHL-GXFFZTMASA-N 1 0 279.727 2.005 10 0 CEAERO C[C@]1(C(=O)Nc2cc(Cl)ccc2Cl)COC[C@@H]1[NH3+] ZINC000090580135 180008167 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CCCOc1cc(C)ccc1NC(=O)[C@]1(C)COC[C@H]1[NH3+] ZINC000090589977 180009933 /nfs/dbraw/zinc/00/99/33/180009933.db2.gz RUXXEIKUWRVWDC-GDBMZVCRSA-N 1 0 292.379 2.086 10 0 CEAERO CCOc1ccc(Cl)cc1NC(=O)[C@@]1(C)COC[C@H]1[NH3+] ZINC000090590103 180010643 /nfs/dbraw/zinc/01/06/43/180010643.db2.gz QNAHQVUNWSKIJK-OCCSQVGLSA-N 1 0 298.770 2.041 10 0 CEAERO CCN(C[C@@]1(C)COC[C@@H]1[NH3+])c1cccc(F)c1 ZINC000090606926 180011304 /nfs/dbraw/zinc/01/13/04/180011304.db2.gz RJNCENQZSOFIQZ-KBPBESRZSA-N 1 0 252.333 2.016 10 0 CEAERO CCC(C)(C)C1CCC([NH2+]Cc2cn(CCO)nn2)CC1 ZINC000090636684 180017191 /nfs/dbraw/zinc/01/71/91/180017191.db2.gz YWOMTMNQRLZKNF-UHFFFAOYSA-N 1 0 294.443 2.355 10 0 CEAERO C[C@@H](OCCC(=O)Nc1ccc(C[NH3+])cc1)C(F)(F)F ZINC000090671969 180021046 /nfs/dbraw/zinc/02/10/46/180021046.db2.gz XUSASUSZSNESKB-SECBINFHSA-N 1 0 290.285 2.441 10 0 CEAERO CN(CC[C@@H]1CCCC[NH2+]1)CC(=O)Nc1ccccc1F ZINC000090693381 180025442 /nfs/dbraw/zinc/02/54/42/180025442.db2.gz LLGKEMCWQWHYHY-ZDUSSCGKSA-N 1 0 293.386 2.228 10 0 CEAERO CC[NH+](CC)CCC[C@@H](C)Nc1nc(N)ns1 ZINC000090693044 180025520 /nfs/dbraw/zinc/02/55/20/180025520.db2.gz LBASCVMBRJNALA-SECBINFHSA-N 1 0 257.407 2.043 10 0 CEAERO FC(F)(F)COCCN1CCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000090693915 180026345 /nfs/dbraw/zinc/02/63/45/180026345.db2.gz IHABLOLOGDLERA-NEPJUHHUSA-N 1 0 280.334 2.029 10 0 CEAERO C[NH+](C)C[C@@H]1CSCCCN1C(=O)c1ccccc1F ZINC000090699844 180027761 /nfs/dbraw/zinc/02/77/61/180027761.db2.gz ZQZUYXNNHGUWID-GFCCVEGCSA-N 1 0 296.411 2.335 10 0 CEAERO CCNC(=O)N1CCCSC[C@@H]1C[NH+]1CCCCC1 ZINC000090701792 180027877 /nfs/dbraw/zinc/02/78/77/180027877.db2.gz AUQXRTUQIVPPSQ-ZDUSSCGKSA-N 1 0 285.457 2.009 10 0 CEAERO O=C(C1CCC1)N1CCCSC[C@H]1C[NH+]1CCCC1 ZINC000090700854 180027920 /nfs/dbraw/zinc/02/79/20/180027920.db2.gz OMYCAXBLTFZEMX-CQSZACIVSA-N 1 0 282.453 2.216 10 0 CEAERO COC(=O)C1(C[C@H]2CO2)CC[NH+](Cc2ccccc2)CC1 ZINC000669372394 539753670 /nfs/dbraw/zinc/75/36/70/539753670.db2.gz QVUBAYBJSSEQDI-HNNXBMFYSA-N 1 0 289.375 2.231 10 0 CEAERO CC(C)(C)[NH2+]Cc1nnnn1CC1(C)CCCC1 ZINC000104446148 186004734 /nfs/dbraw/zinc/00/47/34/186004734.db2.gz OMESKBOHFDLQNX-UHFFFAOYSA-N 1 0 251.378 2.142 10 0 CEAERO CCOc1cc(N(CC)[C@H]2CCCC[C@@H]2C[NH3+])ncn1 ZINC000090784443 180039696 /nfs/dbraw/zinc/03/96/96/180039696.db2.gz HZVBBSARCLICRG-OLZOCXBDSA-N 1 0 278.400 2.219 10 0 CEAERO CC(C)Oc1cc(N[C@@H]2CCCCC[C@H]2[NH3+])ncn1 ZINC000090786110 180040040 /nfs/dbraw/zinc/04/00/40/180040040.db2.gz DFYQUYYTGWTBQS-VXGBXAGGSA-N 1 0 264.373 2.336 10 0 CEAERO CC(C)Oc1cc(NC[C@H]2CCCC[C@H]2[NH3+])ncn1 ZINC000090786663 180040442 /nfs/dbraw/zinc/04/04/42/180040442.db2.gz ZMEPFQQMZQWNTD-VXGBXAGGSA-N 1 0 264.373 2.193 10 0 CEAERO COc1cc(Nc2ccc(CC[NH3+])cc2)nc(C)n1 ZINC000090787483 180040464 /nfs/dbraw/zinc/04/04/64/180040464.db2.gz CZZOFPFTKHUKBI-UHFFFAOYSA-N 1 0 258.325 2.038 10 0 CEAERO COc1cc(N[C@H](C)c2ccc(C[NH3+])cc2)nc(C)n1 ZINC000090786948 180041002 /nfs/dbraw/zinc/04/10/02/180041002.db2.gz VHFCGBPLXAIVCJ-SNVBAGLBSA-N 1 0 272.352 2.425 10 0 CEAERO CCOc1cc(OCC([NH3+])(CC)CC)nc(C)n1 ZINC000090788093 180041185 /nfs/dbraw/zinc/04/11/85/180041185.db2.gz INNARSHBBWGJOW-UHFFFAOYSA-N 1 0 253.346 2.080 10 0 CEAERO CCOc1cc(N[C@@H](C[NH3+])c2ccccc2)nc(C)n1 ZINC000090788388 180041264 /nfs/dbraw/zinc/04/12/64/180041264.db2.gz XHMXJFNMTKOIPC-ZDUSSCGKSA-N 1 0 272.352 2.296 10 0 CEAERO CCOc1cc(O[C@@H]2CCCC[C@H]2C[NH3+])nc(C)n1 ZINC000090788104 180041270 /nfs/dbraw/zinc/04/12/70/180041270.db2.gz CUGJLEYDYRWFGW-NWDGAFQWSA-N 1 0 265.357 2.080 10 0 CEAERO CCOc1ncnc(NCCC[NH+](CC)CC)c1C ZINC000090790643 180041744 /nfs/dbraw/zinc/04/17/44/180041744.db2.gz PHZREYGQFFWPGD-UHFFFAOYSA-N 1 0 266.389 2.328 10 0 CEAERO COc1cc(N[C@H](C)C[NH+]2CCCCC2)nc(C)n1 ZINC000090792147 180043007 /nfs/dbraw/zinc/04/30/07/180043007.db2.gz SJHLPGZZHXVPHX-LLVKDONJSA-N 1 0 264.373 2.080 10 0 CEAERO CCOc1cc(N[C@@H]2CCC[N@H+](CC)C2)nc(C)n1 ZINC000090792011 180043036 /nfs/dbraw/zinc/04/30/36/180043036.db2.gz YUMDKKITQBTVIT-GFCCVEGCSA-N 1 0 264.373 2.080 10 0 CEAERO [NH3+]Cc1nc(-c2nc3cccnc3n2C2CC2)cs1 ZINC000090932881 180066987 /nfs/dbraw/zinc/06/69/87/180066987.db2.gz LSIFHPPTUKJWQB-UHFFFAOYSA-N 1 0 271.349 2.348 10 0 CEAERO [NH3+][C@@H]1C[C@H](OC[C@@H]2CCOC2)C12CCCCCC2 ZINC000090862934 180047156 /nfs/dbraw/zinc/04/71/56/180047156.db2.gz UPENBPWDILSVEZ-MCIONIFRSA-N 1 0 253.386 2.480 10 0 CEAERO C[NH2+][C@@H]1C[C@H](OCC2CCOCC2)C12CCCC2 ZINC000090863604 180047782 /nfs/dbraw/zinc/04/77/82/180047782.db2.gz WFYDWVPMHWKQSL-KGLIPLIRSA-N 1 0 253.386 2.350 10 0 CEAERO C[NH2+][C@@H]1C[C@H](O[C@@H]2CCOC2)C12CCCCCC2 ZINC000090864183 180048023 /nfs/dbraw/zinc/04/80/23/180048023.db2.gz SUSLGGKIYHMWEC-MCIONIFRSA-N 1 0 253.386 2.493 10 0 CEAERO NC(=[NH2+])[C@H]1CCCN(c2snc3ccccc32)C1 ZINC000090869006 180048932 /nfs/dbraw/zinc/04/89/32/180048932.db2.gz WYHWGMSYIYZQTR-VIFPVBQESA-N 1 0 260.366 2.449 10 0 CEAERO CNC(=O)[C@@H](C)Sc1cccc(C[NH2+]C2CC2)c1 ZINC000090872248 180050207 /nfs/dbraw/zinc/05/02/07/180050207.db2.gz ZCNSJEHLSWLBFE-SNVBAGLBSA-N 1 0 264.394 2.165 10 0 CEAERO Cc1cccnc1C[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000090874632 180050937 /nfs/dbraw/zinc/05/09/37/180050937.db2.gz AHODQIZOTYIBSQ-AWEZNQCLSA-N 1 0 254.333 2.483 10 0 CEAERO c1ccc2c(c1)C[C@H](CN1CCC[C@@H]1[C@@H]1CCC[NH2+]1)O2 ZINC000090876236 180051344 /nfs/dbraw/zinc/05/13/44/180051344.db2.gz CIYLIEKICWQRQE-OWCLPIDISA-N 1 0 272.392 2.207 10 0 CEAERO CCC(CC)N(CC[NH3+])C[C@@H]1Cc2ccccc2O1 ZINC000090877562 180051870 /nfs/dbraw/zinc/05/18/70/180051870.db2.gz OBJQHBFSIWODJM-HNNXBMFYSA-N 1 0 262.397 2.439 10 0 CEAERO [NH3+]C[C@]1(C[C@@H]2Cc3ccccc3O2)CCCC[C@@H]1O ZINC000090878521 180052275 /nfs/dbraw/zinc/05/22/75/180052275.db2.gz DEECVBUNQQSCPX-CWRNSKLLSA-N 1 0 261.365 2.260 10 0 CEAERO C[C@H](Cn1ccnc1)[NH2+]C[C@H]1Cc2cc(F)ccc2O1 ZINC000090892420 180053654 /nfs/dbraw/zinc/05/36/54/180053654.db2.gz UOUJEXLGVZGXBW-BXUZGUMPSA-N 1 0 275.327 2.004 10 0 CEAERO CN(C)C(C)(C)C[NH2+]C[C@H]1Cc2cc(F)ccc2O1 ZINC000090892542 180053719 /nfs/dbraw/zinc/05/37/19/180053719.db2.gz XIDAQSIKWGBIGW-CYBMUJFWSA-N 1 0 266.360 2.059 10 0 CEAERO C/C=C/C(=O)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000090886598 180053958 /nfs/dbraw/zinc/05/39/58/180053958.db2.gz OFMUDNUYUVUEQB-GORDUTHDSA-N 1 0 264.394 2.359 10 0 CEAERO CC(C)N(C)CC[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892709 180054666 /nfs/dbraw/zinc/05/46/66/180054666.db2.gz LDHARYKOTZNXOX-AWEZNQCLSA-N 1 0 266.360 2.059 10 0 CEAERO CCN(CC)C[C@H](C)[NH2+]C[C@H]1Cc2cc(F)ccc2O1 ZINC000090892630 180054995 /nfs/dbraw/zinc/05/49/95/180054995.db2.gz WUALJWPECDEEDY-SWLSCSKDSA-N 1 0 280.387 2.449 10 0 CEAERO CC[NH2+]Cc1cnn(C[C@@H]2Cc3cc(F)ccc3O2)c1 ZINC000090895599 180055723 /nfs/dbraw/zinc/05/57/23/180055723.db2.gz BGHVIPSSMBMNGX-AWEZNQCLSA-N 1 0 275.327 2.135 10 0 CEAERO CC[NH2+]Cc1cnn(C[C@H]2Cc3cc(F)ccc3O2)c1 ZINC000090895600 180055930 /nfs/dbraw/zinc/05/59/30/180055930.db2.gz BGHVIPSSMBMNGX-CQSZACIVSA-N 1 0 275.327 2.135 10 0 CEAERO CCCN(C[C@@H]1Cc2cc(F)ccc2O1)[C@@H]1CC[NH2+]C1 ZINC000090894289 180056285 /nfs/dbraw/zinc/05/62/85/180056285.db2.gz TUVCSNPDCNPSOB-CABCVRRESA-N 1 0 278.371 2.203 10 0 CEAERO C[NH2+][C@H](CC[C@@H]1Cc2cc(F)ccc2O1)COC ZINC000090893990 180056338 /nfs/dbraw/zinc/05/63/38/180056338.db2.gz URVJQOAHBFZIBO-CHWSQXEVSA-N 1 0 253.317 2.144 10 0 CEAERO OCC[N@H+](C[C@H]1Cc2cc(F)ccc2O1)C1CCCC1 ZINC000090894771 180056413 /nfs/dbraw/zinc/05/64/13/180056413.db2.gz BKNABVHBFUNCIF-OAHLLOKOSA-N 1 0 279.355 2.366 10 0 CEAERO [NH3+]C1(C[C@H]2Cc3cc(F)ccc3O2)CCOCC1 ZINC000090896251 180056954 /nfs/dbraw/zinc/05/69/54/180056954.db2.gz CTACSDVCVOSVJG-GFCCVEGCSA-N 1 0 251.301 2.027 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[NH2+]CC1(O)CCCC1)O2 ZINC000090898222 180057854 /nfs/dbraw/zinc/05/78/54/180057854.db2.gz ZWRCJZQWQDHFDA-CQSZACIVSA-N 1 0 261.365 2.193 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](CN(CC[NH3+])CC(C)C)O2 ZINC000090898944 180058205 /nfs/dbraw/zinc/05/82/05/180058205.db2.gz VGUNGZLNITZOEW-HNNXBMFYSA-N 1 0 262.397 2.215 10 0 CEAERO CC(C)[N@H+](CCO)C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090900895 180059098 /nfs/dbraw/zinc/05/90/98/180059098.db2.gz BYLMVLPHGFYUIX-ZDUSSCGKSA-N 1 0 269.772 2.346 10 0 CEAERO Cn1cc(C[NH2+]C[C@@H]2Cc3cc(Cl)ccc3O2)cn1 ZINC000090903907 180059861 /nfs/dbraw/zinc/05/98/61/180059861.db2.gz LINPFDZVXBOMBL-ZDUSSCGKSA-N 1 0 277.755 2.167 10 0 CEAERO Cc1ccc([C@H](C[NH3+])N2C[C@H]3CC[C@@H](C2)O3)cc1C ZINC000090905677 180060032 /nfs/dbraw/zinc/06/00/32/180060032.db2.gz PXXOGVYOFBQJRH-XHSDSOJGSA-N 1 0 260.381 2.166 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](CN1CC[NH2+]C[C@@]1(C)C1CC1)O2 ZINC000090902462 180060043 /nfs/dbraw/zinc/06/00/43/180060043.db2.gz CEXXYQHOIIMNAE-WMZOPIPTSA-N 1 0 286.419 2.372 10 0 CEAERO CC(C)Oc1ccc([C@@H](C[NH3+])N2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090905940 180060904 /nfs/dbraw/zinc/06/09/04/180060904.db2.gz SYVMQEGLQWESKM-IXDOHACOSA-N 1 0 290.407 2.337 10 0 CEAERO C[NH2+][C@H](CN1C[C@H]2CC[C@@H](C1)O2)c1ccc(C)cc1 ZINC000090905980 180061051 /nfs/dbraw/zinc/06/10/51/180061051.db2.gz DMEOWVLYDVJQMV-OWCLPIDISA-N 1 0 260.381 2.119 10 0 CEAERO [NH3+]C[C@H](c1cccc2cccnc21)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905901 180061188 /nfs/dbraw/zinc/06/11/88/180061188.db2.gz YIOANAGBSZUFTH-IJEWVQPXSA-N 1 0 283.375 2.098 10 0 CEAERO COc1ccc([C@@H](C)O)cc1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000090906945 180061200 /nfs/dbraw/zinc/06/12/00/180061200.db2.gz RDPGOMOYOYFDGP-DFBGVHRSSA-N 1 0 277.364 2.112 10 0 CEAERO C[NH2+][C@H](CN1C[C@H]2CC[C@@H](C1)O2)c1ccc(C)cc1C ZINC000090905976 180061266 /nfs/dbraw/zinc/06/12/66/180061266.db2.gz FOIUEFCPQOYUTN-HLLBOEOZSA-N 1 0 274.408 2.427 10 0 CEAERO CCC[C@](C)(C[NH2+]CC)CN1C[C@H]2CC[C@@H](C1)O2 ZINC000090907574 180061743 /nfs/dbraw/zinc/06/17/43/180061743.db2.gz ASKOQEFGZMICHS-QLFBSQMISA-N 1 0 254.418 2.266 10 0 CEAERO CC[NH2+]Cc1cc(CN2C[C@H]3CC[C@@H](C2)O3)oc1C ZINC000090907891 180061863 /nfs/dbraw/zinc/06/18/63/180061863.db2.gz LCSWDPVDFCJXOM-OKILXGFUSA-N 1 0 264.369 2.061 10 0 CEAERO c1cc(C[NH2+]C2CC2)cc(CN2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000090907963 180061932 /nfs/dbraw/zinc/06/19/32/180061932.db2.gz YLQKPSGHCRKQAA-CALCHBBNSA-N 1 0 272.392 2.302 10 0 CEAERO Cn1c2cccc(F)c2nc1-c1csc(CC[NH3+])n1 ZINC000090934700 180067457 /nfs/dbraw/zinc/06/74/57/180067457.db2.gz IJHSYMPTPSCBON-UHFFFAOYSA-N 1 0 276.340 2.337 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+]C[C@@H]1CCCCO1 ZINC000090960478 180075768 /nfs/dbraw/zinc/07/57/68/180075768.db2.gz MKLDBVOAJPPULW-NSHDSACASA-N 1 0 268.382 2.365 10 0 CEAERO CC(=O)Nc1ccccc1C[NH2+][C@@H](CO)c1ccccc1 ZINC000090962641 180076922 /nfs/dbraw/zinc/07/69/22/180076922.db2.gz MCLJSCIGRLQOLN-KRWDZBQOSA-N 1 0 284.359 2.468 10 0 CEAERO CC(=O)Nc1ccccc1C[NH2+][C@H](CO)c1ccccc1 ZINC000090962642 180077467 /nfs/dbraw/zinc/07/74/67/180077467.db2.gz MCLJSCIGRLQOLN-QGZVFWFLSA-N 1 0 284.359 2.468 10 0 CEAERO c1cc(CNC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc2c1CCC2 ZINC000090984723 180080124 /nfs/dbraw/zinc/08/01/24/180080124.db2.gz NIAZSDOVHRXLNL-MSOLQXFVSA-N 1 0 286.419 2.128 10 0 CEAERO [NH3+][C@H](c1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1Cc2ccccc21 ZINC000090983807 180080323 /nfs/dbraw/zinc/08/03/23/180080323.db2.gz UZCZNFHSDHGUEO-IUODEOHRSA-N 1 0 265.316 2.196 10 0 CEAERO [NH3+]CCC[C@@H]1CCCN1C(=O)[C@@H]1Cc2ccccc21 ZINC000090987207 180080751 /nfs/dbraw/zinc/08/07/51/180080751.db2.gz YWWVDGDZHACLGY-UKRRQHHQSA-N 1 0 258.365 2.056 10 0 CEAERO O=C([C@@H]1Cc2ccccc21)N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000090985414 180080837 /nfs/dbraw/zinc/08/08/37/180080837.db2.gz ZSYNQYUNCLCPAD-PMPSAXMXSA-N 1 0 270.376 2.069 10 0 CEAERO NC(=O)c1ccccc1C[NH2+]C[C@@H]1Cc2ccccc21 ZINC000090992742 180082154 /nfs/dbraw/zinc/08/21/54/180082154.db2.gz KXAFOUQSGGUUHJ-AWEZNQCLSA-N 1 0 266.344 2.215 10 0 CEAERO CC(C)[NH2+][C@@H]1CCCN(C[C@H]2Cc3ccccc32)C1=O ZINC000090993395 180082364 /nfs/dbraw/zinc/08/23/64/180082364.db2.gz GGJTWEYUPWETBU-GDBMZVCRSA-N 1 0 272.392 2.315 10 0 CEAERO CCNC(=O)Cn1cc(C[NH2+]C(C)C)c2ccccc21 ZINC000090995492 180082575 /nfs/dbraw/zinc/08/25/75/180082575.db2.gz RQCCDWGRLWOHOF-UHFFFAOYSA-N 1 0 273.380 2.275 10 0 CEAERO CC[NH2+]Cc1cccn1Cc1c(Cl)c(C)nn1C ZINC000090995933 180082589 /nfs/dbraw/zinc/08/25/89/180082589.db2.gz ZOHQQBMTCZRYEF-UHFFFAOYSA-N 1 0 266.776 2.341 10 0 CEAERO CC(C)[C@H](C)NC(=O)Cn1cc(C[NH3+])c2ccccc21 ZINC000090995022 180082629 /nfs/dbraw/zinc/08/26/29/180082629.db2.gz ISJWKOPBOZXWFL-LBPRGKRZSA-N 1 0 273.380 2.261 10 0 CEAERO [NH3+]Cc1ccn(CC(=O)Nc2cccc(Cl)c2)c1 ZINC000090995206 180082673 /nfs/dbraw/zinc/08/26/73/180082673.db2.gz PKZHLVMAVSSUDR-UHFFFAOYSA-N 1 0 263.728 2.239 10 0 CEAERO C[NH2+]Cc1cn(Cc2cncn2C)c2ccccc12 ZINC000090995350 180082962 /nfs/dbraw/zinc/08/29/62/180082962.db2.gz XKSDXZBXYZQQDB-UHFFFAOYSA-N 1 0 254.337 2.143 10 0 CEAERO Cc1nn(CC(=O)N(C)C(C)C)c(C)c1C[NH2+]CC(C)C ZINC000091002296 180083901 /nfs/dbraw/zinc/08/39/01/180083901.db2.gz MPUTWCUDZQOUJB-UHFFFAOYSA-N 1 0 294.443 2.112 10 0 CEAERO CCC[NH2+]Cc1ccn(CC(=O)N[C@H](C)CCC)c1 ZINC000091003348 180083947 /nfs/dbraw/zinc/08/39/47/180083947.db2.gz NGLRAKHSDMYHMG-CYBMUJFWSA-N 1 0 265.401 2.293 10 0 CEAERO CCC[NH2+]Cc1ccn(CC(=O)NC(CC)CC)c1 ZINC000091003365 180084175 /nfs/dbraw/zinc/08/41/75/180084175.db2.gz GCZAAOZWBCKMPH-UHFFFAOYSA-N 1 0 265.401 2.293 10 0 CEAERO CCn1nc(Cn2ccc(CC[NH3+])c2)c2ccccc21 ZINC000091004824 180084292 /nfs/dbraw/zinc/08/42/92/180084292.db2.gz QPMGGIUWHULVIB-UHFFFAOYSA-N 1 0 268.364 2.407 10 0 CEAERO [NH3+]Cc1cn(CCC[C@H]2CCCO2)c2ncccc12 ZINC000091018690 180087027 /nfs/dbraw/zinc/08/70/27/180087027.db2.gz RVACQBUUESMZSL-ZDUSSCGKSA-N 1 0 259.353 2.454 10 0 CEAERO Cc1nc(Cn2cc(C[NH2+]C3CC3)c3cccnc32)no1 ZINC000091020857 180088900 /nfs/dbraw/zinc/08/89/00/180088900.db2.gz CYMFHGNTKSBIHS-UHFFFAOYSA-N 1 0 283.335 2.028 10 0 CEAERO COC(=O)CCn1cc(C[NH2+]C(C)(C)C)c2cccnc21 ZINC000091021065 180088930 /nfs/dbraw/zinc/08/89/30/180088930.db2.gz KBSSEOXMOCPXGK-UHFFFAOYSA-N 1 0 289.379 2.488 10 0 CEAERO C[C@@H]([NH3+])c1nc(-c2nc(-c3ccccn3)no2)cs1 ZINC000090938536 180067876 /nfs/dbraw/zinc/06/78/76/180067876.db2.gz RERABOZLRKURAM-SSDOTTSWSA-N 1 0 273.321 2.275 10 0 CEAERO CCO[C@H](C)c1noc(-c2csc([C@H](C)[NH3+])n2)n1 ZINC000090939120 180068294 /nfs/dbraw/zinc/06/82/94/180068294.db2.gz JMFYWQCJERSUMZ-NKWVEPMBSA-N 1 0 268.342 2.310 10 0 CEAERO CCSCc1noc(-c2csc([C@H](C)[NH3+])n2)n1 ZINC000090939161 180068359 /nfs/dbraw/zinc/06/83/59/180068359.db2.gz BYPXVZHWZHHBDF-LURJTMIESA-N 1 0 270.383 2.466 10 0 CEAERO [NH3+]CCc1nc(C(=O)N[C@H]2CCc3ccccc32)cs1 ZINC000090947605 180070900 /nfs/dbraw/zinc/07/09/00/180070900.db2.gz JMUYKAXQJSKPDQ-LBPRGKRZSA-N 1 0 287.388 2.062 10 0 CEAERO c1ccc2c(c1)C[C@@H]2c1noc(C[C@@H]2CSCC[NH2+]2)n1 ZINC000091129159 180100807 /nfs/dbraw/zinc/10/08/07/180100807.db2.gz LKGQHZNBSKPSMO-YPMHNXCESA-N 1 0 287.388 2.005 10 0 CEAERO CCOCc1ccccc1NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000091134603 180104164 /nfs/dbraw/zinc/10/41/64/180104164.db2.gz ZGQCCORQJITWQP-CYBMUJFWSA-N 1 0 294.420 2.257 10 0 CEAERO CCCC[NH+](CCCC)[C@H](CN)CC(=O)NC(C)C ZINC000091318180 180133395 /nfs/dbraw/zinc/13/33/95/180133395.db2.gz XCFFLHNSJODEIW-AWEZNQCLSA-N 1 0 271.449 2.131 10 0 CEAERO CC[NH2+]Cc1cnn(-c2ccncc2)c1C(F)(F)F ZINC000091337077 180136680 /nfs/dbraw/zinc/13/66/80/180136680.db2.gz DGVSAUKZLGUKII-UHFFFAOYSA-N 1 0 270.258 2.396 10 0 CEAERO C[C@@H](CO)[C@H](C)[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000091345107 180137040 /nfs/dbraw/zinc/13/70/40/180137040.db2.gz SVBQBDQPUWMMHY-SRVKXCTJSA-N 1 0 261.369 2.241 10 0 CEAERO c1cn2c(cn1)nnc2[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000091355277 180138741 /nfs/dbraw/zinc/13/87/41/180138741.db2.gz VEFDWZJZJFMZQS-WOPDTQHZSA-N 1 0 257.341 2.108 10 0 CEAERO C([C@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1)N1CCCOCC1 ZINC000091362780 180141900 /nfs/dbraw/zinc/14/19/00/180141900.db2.gz ORANLDJWAYVEMB-KFWWJZLASA-N 1 0 252.402 2.020 10 0 CEAERO COc1ccc2c(c1)CC[C@H](SC[C@@H](C)CO)[C@H]2[NH3+] ZINC000091260203 180116068 /nfs/dbraw/zinc/11/60/68/180116068.db2.gz QSNPRVVQTVEIQY-LKTVYLICSA-N 1 0 281.421 2.371 10 0 CEAERO COc1ccc([C@@H](C[NH3+])S[C@@H](C)CCO)cc1 ZINC000091262386 180116395 /nfs/dbraw/zinc/11/63/95/180116395.db2.gz ORJLWVWZOHHDLM-GXFFZTMASA-N 1 0 255.383 2.199 10 0 CEAERO CC(C)(C)N1C(=O)CCC[C@H]([NH3+])[C@@H]1c1cncn1C1CC1 ZINC000091275607 180118906 /nfs/dbraw/zinc/11/89/06/180118906.db2.gz VCGFUWYOXBBADW-SWLSCSKDSA-N 1 0 290.411 2.397 10 0 CEAERO CCCN1C(=O)CCC[C@@H]([NH3+])[C@@H]1c1cncn1C1CC1 ZINC000091275592 180119272 /nfs/dbraw/zinc/11/92/72/180119272.db2.gz VVXAMCDNRIFIBJ-IUODEOHRSA-N 1 0 276.384 2.009 10 0 CEAERO O[C@@H](c1cncn1C1CC1)[C@@H]1[NH2+]Cc2ccccc21 ZINC000091277441 180120384 /nfs/dbraw/zinc/12/03/84/180120384.db2.gz OYVGVQQWKVKDTA-CABCVRRESA-N 1 0 255.321 2.096 10 0 CEAERO CCCN(C(C)C)[C@@H](C[NH3+])c1cncn1C1CC1 ZINC000091276225 180120479 /nfs/dbraw/zinc/12/04/79/180120479.db2.gz QPRQZMJLLRPOOH-ZDUSSCGKSA-N 1 0 250.390 2.338 10 0 CEAERO CN(CC[C@@H]1CSCC[NH2+]1)Cc1ccc(F)cc1 ZINC000091292059 180123817 /nfs/dbraw/zinc/12/38/17/180123817.db2.gz IDQHXZFJSHRTST-CQSZACIVSA-N 1 0 268.401 2.353 10 0 CEAERO CC(C)n1c(C[C@H]2C[NH2+]CCO2)nc2ccc(F)cc21 ZINC000091293354 180124119 /nfs/dbraw/zinc/12/41/19/180124119.db2.gz LZKMLLIQBBKTHF-LBPRGKRZSA-N 1 0 277.343 2.287 10 0 CEAERO CC1(C)CCC(c2noc(C[C@@H]3C[NH2+]CCO3)n2)CC1 ZINC000091295183 180124609 /nfs/dbraw/zinc/12/46/09/180124609.db2.gz NQALEUYFXWUATK-GFCCVEGCSA-N 1 0 279.384 2.284 10 0 CEAERO C[C@@H]([NH2+]C1CC(O)C1)c1ccc(-n2ccnc2)cc1 ZINC000091428743 180152944 /nfs/dbraw/zinc/15/29/44/180152944.db2.gz VZJDOMNVDLYLFX-NUYPLMSZSA-N 1 0 257.337 2.046 10 0 CEAERO CNc1ccc(C)cc1C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000091432723 180153726 /nfs/dbraw/zinc/15/37/26/180153726.db2.gz CFVOWDGMESAMGW-ZDUSSCGKSA-N 1 0 275.396 2.203 10 0 CEAERO Cc1nn(C)c(C[C@@]2(C3CC3)CCC[NH2+]2)c1Cl ZINC000091445614 180156585 /nfs/dbraw/zinc/15/65/85/180156585.db2.gz NQBBOZVOLSNLDA-CYBMUJFWSA-N 1 0 253.777 2.457 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccccc1OC)N(C)CC1CC(O)C1 ZINC000091451136 180158894 /nfs/dbraw/zinc/15/88/94/180158894.db2.gz ZHKRVUSVRHVRNO-KWVKFQHESA-N 1 0 292.423 2.176 10 0 CEAERO CCC[NH2+]CC[C@@](C)(O)Cc1cccc(OC)c1 ZINC000091467786 180164508 /nfs/dbraw/zinc/16/45/08/180164508.db2.gz AFSRLIHTMYEHQQ-OAHLLOKOSA-N 1 0 251.370 2.378 10 0 CEAERO COCC[NH2+]C[C@H](O)Cc1ccc(C(C)(C)C)cc1 ZINC000091469876 180164864 /nfs/dbraw/zinc/16/48/64/180164864.db2.gz IRAQHKPJCUCDIK-OAHLLOKOSA-N 1 0 265.397 2.124 10 0 CEAERO COCC[NH2+]C[C@H](O)Cc1ccc(Cl)c(Cl)c1 ZINC000091470250 180164894 /nfs/dbraw/zinc/16/48/94/180164894.db2.gz YOYUJDCUHCVHLT-SNVBAGLBSA-N 1 0 278.179 2.133 10 0 CEAERO C[NH2+]CC[C@@](C)(O)Cc1ccc(OC(F)(F)F)cc1 ZINC000091469308 180164988 /nfs/dbraw/zinc/16/49/88/180164988.db2.gz ZXRKLJHAAJSUKL-GFCCVEGCSA-N 1 0 277.286 2.488 10 0 CEAERO Cc1cc([C@H]2[C@@H](C[NH3+])OCCN2C)ccc1Br ZINC000091475421 180165317 /nfs/dbraw/zinc/16/53/17/180165317.db2.gz UUOMLLGSUSSNFP-OLZOCXBDSA-N 1 0 299.212 2.088 10 0 CEAERO CC(C)Oc1cccc(C(=O)N(C)CC2CC([NH3+])C2)c1 ZINC000091473051 180165420 /nfs/dbraw/zinc/16/54/20/180165420.db2.gz ZSUGPQZZNCFVDM-UHFFFAOYSA-N 1 0 276.380 2.283 10 0 CEAERO Cc1oc(C)c(C(=O)N(C)CC2CC([NH3+])C2)c1C ZINC000091472674 180165470 /nfs/dbraw/zinc/16/54/70/180165470.db2.gz DEQZGPUZQXGDMK-UHFFFAOYSA-N 1 0 250.342 2.014 10 0 CEAERO CSC1(C[NH3+])CCN(Cc2ccn(C(C)C)n2)CC1 ZINC000091473307 180165530 /nfs/dbraw/zinc/16/55/30/180165530.db2.gz AORFGPSDMRGUDZ-UHFFFAOYSA-N 1 0 282.457 2.120 10 0 CEAERO Cc1ccc(C(F)(F)F)cc1N1C[C@H](C[NH3+])CC1=O ZINC000091481048 180166812 /nfs/dbraw/zinc/16/68/12/180166812.db2.gz QNOZZYJAOLZMNY-VIFPVBQESA-N 1 0 272.270 2.325 10 0 CEAERO CC1(C)C(C(=O)N2C[C@@H]3C[NH2+]C[C@H]3C2(C)C)C1(C)C ZINC000091492851 180170559 /nfs/dbraw/zinc/17/05/59/180170559.db2.gz WUCDKEBOUHDKSY-WDEREUQCSA-N 1 0 264.413 2.125 10 0 CEAERO Cc1cccc(CCC(=O)N[C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000091496436 180172070 /nfs/dbraw/zinc/17/20/70/180172070.db2.gz KZIINJKLAATSJI-UKRRQHHQSA-N 1 0 260.381 2.184 10 0 CEAERO Cc1ncccc1NC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000091497037 180172336 /nfs/dbraw/zinc/17/23/36/180172336.db2.gz NUSHYCOHNGRVHT-HNNXBMFYSA-N 1 0 255.321 2.203 10 0 CEAERO CC(C)Oc1cccc(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000091496661 180172474 /nfs/dbraw/zinc/17/24/74/180172474.db2.gz SVADPZMFWOQHJA-SWLSCSKDSA-N 1 0 276.380 2.344 10 0 CEAERO Cc1ccc(C)c(OCC[N@@H+](C)CC2CC(O)C2)c1 ZINC000091498940 180173830 /nfs/dbraw/zinc/17/38/30/180173830.db2.gz IXIHNPADTWQXOA-UHFFFAOYSA-N 1 0 263.381 2.385 10 0 CEAERO C[NH+](C)[C@H]1CCCN(CCCC(C)(C)C(N)=S)C1 ZINC000091393140 180145560 /nfs/dbraw/zinc/14/55/60/180145560.db2.gz AWXJDIHLQACDBE-LBPRGKRZSA-N 1 0 271.474 2.105 10 0 CEAERO C[NH+](C)[C@H]1CCCN(Cc2ccc(N)cc2Cl)C1 ZINC000091393021 180145802 /nfs/dbraw/zinc/14/58/02/180145802.db2.gz UTIMPCCXGPTWIM-ZDUSSCGKSA-N 1 0 267.804 2.448 10 0 CEAERO CC1(C)CCc2nc([C@@H]3C[NH2+]CCO3)sc2C1 ZINC000091499815 180174704 /nfs/dbraw/zinc/17/47/04/180174704.db2.gz FPASBNYCWUKDRO-JTQLQIEISA-N 1 0 252.383 2.319 10 0 CEAERO COc1cc2c(cc1OC)CN(CC(C)(C)[C@@H](C)[NH3+])CC2 ZINC000091402560 180146980 /nfs/dbraw/zinc/14/69/80/180146980.db2.gz SYDYMNMFFNAXFZ-GFCCVEGCSA-N 1 0 292.423 2.435 10 0 CEAERO C[C@H]([NH2+]C1CC(O)C1)c1ccccc1OC(F)F ZINC000091416288 180149737 /nfs/dbraw/zinc/14/97/37/180149737.db2.gz VBHGJLRJGKHWQW-IDKOKCKLSA-N 1 0 257.280 2.462 10 0 CEAERO CC(C)c1ccn(-c2cncc(C[NH2+]C3CC3)n2)n1 ZINC000091422518 180151162 /nfs/dbraw/zinc/15/11/62/180151162.db2.gz FQNAOUIWBSUVHO-UHFFFAOYSA-N 1 0 257.341 2.038 10 0 CEAERO CCC[NH2+][C@H](c1cnn(CC)c1)C(C)(C)N1CCOCC1 ZINC000091567197 180195161 /nfs/dbraw/zinc/19/51/61/180195161.db2.gz SHTKNBUOJPEFHA-OAHLLOKOSA-N 1 0 294.443 2.055 10 0 CEAERO CC[C@](C)([C@@H](O)c1ccc(OC)cc1OC)[NH+](C)C ZINC000091569527 180195400 /nfs/dbraw/zinc/19/54/00/180195400.db2.gz SQAXSXGKWHNJHU-LSDHHAIUSA-N 1 0 267.369 2.468 10 0 CEAERO CCCn1nccc1[C@@H]([NH2+]C)[C@@](C)(CC)N(C)C ZINC000091570497 180195614 /nfs/dbraw/zinc/19/56/14/180195614.db2.gz QXAJHAKRUCKSKO-ZIAGYGMSSA-N 1 0 252.406 2.284 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@@H](O)Cc1ncnn1C(C)C ZINC000091572891 180196380 /nfs/dbraw/zinc/19/63/80/180196380.db2.gz ALPMJFLRYRHQDC-DZGCQCFKSA-N 1 0 282.432 2.273 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@H](O)c1cccnc1N ZINC000091573020 180196639 /nfs/dbraw/zinc/19/66/39/180196639.db2.gz RDJLHUZDYLZCMT-OCCSQVGLSA-N 1 0 251.374 2.208 10 0 CEAERO CC[NH2+][C@@H](Cc1ncnn1C(C)C)[C@@](C)(CC)N(C)C ZINC000091571647 180196680 /nfs/dbraw/zinc/19/66/80/180196680.db2.gz GBTNFQMHXPOMRV-DZGCQCFKSA-N 1 0 281.448 2.110 10 0 CEAERO CCC[NH2+][C@@H](c1nccn1C)[C@@](C)(CC)N(C)C ZINC000091571884 180196696 /nfs/dbraw/zinc/19/66/96/180196696.db2.gz YPJHDJMNIMFYCQ-GXTWGEPZSA-N 1 0 252.406 2.191 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@@H](NC)c1ccnn1C ZINC000091599628 180202351 /nfs/dbraw/zinc/20/23/51/180202351.db2.gz WCROXZHZBSPDPB-UONOGXRCSA-N 1 0 252.406 2.191 10 0 CEAERO CC[C@@](C)(C(=O)c1cc(C)cnc1N)[NH+]1CCCC1 ZINC000091601940 180203105 /nfs/dbraw/zinc/20/31/05/180203105.db2.gz OLLCHELLJUHQID-HNNXBMFYSA-N 1 0 261.369 2.419 10 0 CEAERO CC[C@](C)([C@H](O)c1cc(C)cnc1N)[NH+]1CCCC1 ZINC000091603707 180203568 /nfs/dbraw/zinc/20/35/68/180203568.db2.gz LRARUJLREUEGJH-UKRRQHHQSA-N 1 0 263.385 2.270 10 0 CEAERO CC[C@](C)([C@@H](Cc1ccccn1)[NH2+]C)N1CCCC1 ZINC000091606059 180203791 /nfs/dbraw/zinc/20/37/91/180203791.db2.gz LXNADALMEJNUMT-HZPDHXFCSA-N 1 0 261.413 2.477 10 0 CEAERO CCn1cc(C[C@H](N)[C@@](C)(CC)[NH+]2CCCC2)cn1 ZINC000091605038 180203800 /nfs/dbraw/zinc/20/38/00/180203800.db2.gz CZDYLQNQVZCHMR-LSDHHAIUSA-N 1 0 264.417 2.037 10 0 CEAERO CC[C@@](C)([C@@H](O)c1ccnn1C)[NH+]1CCCCC1 ZINC000091608879 180205105 /nfs/dbraw/zinc/20/51/05/180205105.db2.gz OQXGBQGCBRGQDF-KBPBESRZSA-N 1 0 251.374 2.108 10 0 CEAERO CC[C@@](C)([C@H]([NH3+])Cc1ccsc1)N1CCOCC1 ZINC000091611893 180206628 /nfs/dbraw/zinc/20/66/28/180206628.db2.gz ZUHGHVPHWSWFNU-KGLIPLIRSA-N 1 0 268.426 2.119 10 0 CEAERO CC[C@@](C)([C@@H]([NH3+])c1ccccc1F)N1CCOCC1 ZINC000091611879 180206722 /nfs/dbraw/zinc/20/67/22/180206722.db2.gz FNVFXFAWOXPUHZ-GJZGRUSLSA-N 1 0 266.360 2.326 10 0 CEAERO CC[C@](C)([C@H]([NH3+])c1cccc(F)c1)N1CCOCC1 ZINC000091611906 180206767 /nfs/dbraw/zinc/20/67/67/180206767.db2.gz XRQRLPINLNCCPW-HUUCEWRRSA-N 1 0 266.360 2.326 10 0 CEAERO CC[C@@](C)([C@H]([NH3+])c1ccc(F)cc1)N1CCOCC1 ZINC000091611985 180207267 /nfs/dbraw/zinc/20/72/67/180207267.db2.gz RBONMUVAGNMUSA-CABCVRRESA-N 1 0 266.360 2.326 10 0 CEAERO CC[C@](C)([C@H]([NH3+])CCC(F)(F)F)N1CCOCC1 ZINC000091612158 180207354 /nfs/dbraw/zinc/20/73/54/180207354.db2.gz IQEJJEHPRKFPRV-GHMZBOCLSA-N 1 0 268.323 2.157 10 0 CEAERO CC[NH+](CC)C(CC)(CC)[C@H](N)c1nccn1C ZINC000091615891 180207770 /nfs/dbraw/zinc/20/77/70/180207770.db2.gz GDJYUBNGXWQXDH-GFCCVEGCSA-N 1 0 252.406 2.321 10 0 CEAERO CC[NH+](CC)C(CC)(CC)C(=O)Cc1cnn(C)c1 ZINC000091615315 180207974 /nfs/dbraw/zinc/20/79/74/180207974.db2.gz FUCQISUDDFYBET-UHFFFAOYSA-N 1 0 265.401 2.432 10 0 CEAERO CCn1ccnc1[C@@H](NC)C(CC)(CC)[NH+](C)C ZINC000091614506 180208201 /nfs/dbraw/zinc/20/82/01/180208201.db2.gz OEMNRQFBLWLSBI-GFCCVEGCSA-N 1 0 252.406 2.284 10 0 CEAERO CCc1cc(C[C@@](C)(O)CC[NH2+]CC(C)C)n(CC)n1 ZINC000091505465 180175750 /nfs/dbraw/zinc/17/57/50/180175750.db2.gz CTTVRZRXOFTQIC-INIZCTEOSA-N 1 0 281.444 2.395 10 0 CEAERO CC[NH+]1CCC(CO)(Nc2cc(C)cc(F)c2)CC1 ZINC000091517729 180177426 /nfs/dbraw/zinc/17/74/26/180177426.db2.gz IHMPSOXZOHOZOJ-UHFFFAOYSA-N 1 0 266.360 2.393 10 0 CEAERO Cc1cc(F)cc(NC2(CO)CC[NH+](C)CC2)c1 ZINC000091518167 180177637 /nfs/dbraw/zinc/17/76/37/180177637.db2.gz HWYYYHGUHCPDLY-UHFFFAOYSA-N 1 0 252.333 2.003 10 0 CEAERO Cc1nn(C)c(C[C@](C)(O)CC[NH2+]CC(C)C)c1Cl ZINC000091520228 180177988 /nfs/dbraw/zinc/17/79/88/180177988.db2.gz YADOLEIVXJTMNZ-CQSZACIVSA-N 1 0 287.835 2.311 10 0 CEAERO Cc1nn(C)c(C[C@@](C)(O)CC[NH2+]C(C)(C)C)c1Cl ZINC000091522255 180178114 /nfs/dbraw/zinc/17/81/14/180178114.db2.gz FSPACNWGSMYGKK-AWEZNQCLSA-N 1 0 287.835 2.454 10 0 CEAERO CCCc1ccc([C@@](C)(O)CC[NH2+]CCOC)cc1 ZINC000091521496 180178272 /nfs/dbraw/zinc/17/82/72/180178272.db2.gz DISKWFFVLAUVEH-INIZCTEOSA-N 1 0 265.397 2.473 10 0 CEAERO CCCn1cc([C@@H](N)C(C)(C)[NH+](CC)CC)cn1 ZINC000091530537 180180319 /nfs/dbraw/zinc/18/03/19/180180319.db2.gz XUICCSRAQQGHJP-CYBMUJFWSA-N 1 0 252.406 2.413 10 0 CEAERO CCC[NH2+][C@H](c1cnccc1N)C(C)(C)N(C)C ZINC000091529405 180180534 /nfs/dbraw/zinc/18/05/34/180180534.db2.gz KONLXDNABLJAQU-CYBMUJFWSA-N 1 0 250.390 2.045 10 0 CEAERO CC[NH2+][C@H](Cc1csc(C)n1)C(C)(C)N(C)C ZINC000091529087 180180867 /nfs/dbraw/zinc/18/08/67/180180867.db2.gz KSFFTLIYDKXPCT-GFCCVEGCSA-N 1 0 255.431 2.312 10 0 CEAERO CC[NH2+][C@@H](c1cnccn1)C(C)(C)N(CC)CC ZINC000091531318 180180922 /nfs/dbraw/zinc/18/09/22/180180922.db2.gz ZLBPGJMIWQKYEC-ZDUSSCGKSA-N 1 0 250.390 2.248 10 0 CEAERO CC(C)([C@@H](O)c1cc(Cl)cnc1N)[NH+]1CCCC1 ZINC000091532976 180181587 /nfs/dbraw/zinc/18/15/87/180181587.db2.gz VLRIGWWBBSBGLP-NSHDSACASA-N 1 0 269.776 2.225 10 0 CEAERO COc1ccc(Cl)c(NC(=O)[C@H]2CC[C@H]([NH3+])C2)c1 ZINC000091539677 180182903 /nfs/dbraw/zinc/18/29/03/180182903.db2.gz ABDHTQNJYBOBRK-IUCAKERBSA-N 1 0 268.744 2.415 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)c1ccccc1F ZINC000091542130 180184612 /nfs/dbraw/zinc/18/46/12/180184612.db2.gz RRVWAJXGTZYEDO-MXWKQRLJSA-N 1 0 250.317 2.130 10 0 CEAERO COC(=O)c1ccc(Cl)c(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC000091543551 180185003 /nfs/dbraw/zinc/18/50/03/180185003.db2.gz SNMNXZGFMLVJHE-WCBMZHEXSA-N 1 0 296.754 2.193 10 0 CEAERO CCN(C(=O)[C@@H]1CC[C@H]([NH3+])C1)c1ccccc1F ZINC000091543820 180185129 /nfs/dbraw/zinc/18/51/29/180185129.db2.gz TWHPQMVCSRHGAX-MNOVXSKESA-N 1 0 250.317 2.306 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](C(=O)Nc2cc(F)c(F)c(F)c2)C1 ZINC000091546045 180187039 /nfs/dbraw/zinc/18/70/39/180187039.db2.gz BFTYCZFCUZXGNA-RNFRBKRXSA-N 1 0 258.243 2.170 10 0 CEAERO COC(=O)c1c(C)c(C)sc1NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091546000 180187049 /nfs/dbraw/zinc/18/70/49/180187049.db2.gz PWPIKKRUWHYTMI-UWVGGRQHSA-N 1 0 296.392 2.217 10 0 CEAERO CCn1nc(C)c(N)c1NC[C@@H](C)[NH+]1CCCCC1 ZINC000091554216 180189576 /nfs/dbraw/zinc/18/95/76/180189576.db2.gz DHQRPQZIWOXEGB-LLVKDONJSA-N 1 0 265.405 2.080 10 0 CEAERO CCC(CC)([C@@H](NC)c1cnn(C)c1)[NH+]1CCCC1 ZINC000091635197 180210820 /nfs/dbraw/zinc/21/08/20/180210820.db2.gz PYFBUKSGSPRPLF-AWEZNQCLSA-N 1 0 264.417 2.335 10 0 CEAERO CC[NH2+][C@H](c1c(C)ccnc1N)C1(N(C)C)CCCC1 ZINC000091637952 180212372 /nfs/dbraw/zinc/21/23/72/180212372.db2.gz MLFIXYXBQLMDSR-CQSZACIVSA-N 1 0 276.428 2.497 10 0 CEAERO CC[NH2+][C@H](Cc1cc(C)nn1C)C1(N(C)C)CCCC1 ZINC000091638094 180212431 /nfs/dbraw/zinc/21/24/31/180212431.db2.gz SVUHSJUMCGCBCM-OAHLLOKOSA-N 1 0 278.444 2.124 10 0 CEAERO Cc1cc(C[C@@H](O)C2([NH+]3CCCCC3)CCCC2)n(C)n1 ZINC000091641653 180213090 /nfs/dbraw/zinc/21/30/90/180213090.db2.gz BWGLQWTZSADTGD-MRXNPFEDSA-N 1 0 291.439 2.431 10 0 CEAERO Nc1ncccc1C[C@H](O)C1([NH+]2CCCCC2)CCCC1 ZINC000091641720 180213120 /nfs/dbraw/zinc/21/31/20/180213120.db2.gz QPASVYMTFQTLSZ-HNNXBMFYSA-N 1 0 289.423 2.366 10 0 CEAERO C[C@@H]1CCC[C@@](C(=O)Cc2cnn(C)c2)([NH+](C)C)C1 ZINC000091650061 180216366 /nfs/dbraw/zinc/21/63/66/180216366.db2.gz APHHWEUBSMYUPM-IUODEOHRSA-N 1 0 263.385 2.042 10 0 CEAERO C[C@H]1CCC[C@@](C(=O)Cc2ccnc(N)c2)([NH+](C)C)C1 ZINC000091649791 180216368 /nfs/dbraw/zinc/21/63/68/180216368.db2.gz SGUTYDHLLZCSJA-BLLLJJGKSA-N 1 0 275.396 2.286 10 0 CEAERO CC[NH+](CC)[C@H]1CCN(c2nc(Cl)ncc2F)C1 ZINC000091655678 180217948 /nfs/dbraw/zinc/21/79/48/180217948.db2.gz JHTIINCGSRFJHN-VIFPVBQESA-N 1 0 272.755 2.190 10 0 CEAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1nc2ccccc2s1 ZINC000091667199 180223620 /nfs/dbraw/zinc/22/36/20/180223620.db2.gz MCJIVRPZALCXOO-VXGBXAGGSA-N 1 0 291.420 2.278 10 0 CEAERO O[C@H](Cc1c(F)cccc1Cl)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091715527 180232035 /nfs/dbraw/zinc/23/20/35/180232035.db2.gz IJERETHFRJOSNQ-KMUNFCNLSA-N 1 0 299.773 2.246 10 0 CEAERO CCCN[C@@H](CC[NH+](CC)CC)c1cnn(C)c1 ZINC000091716888 180232564 /nfs/dbraw/zinc/23/25/64/180232564.db2.gz STVHDWQAYJOPIC-AWEZNQCLSA-N 1 0 252.406 2.193 10 0 CEAERO C[NH2+][C@H](c1cc(C)c(C)cc1C)[C@H]1CN(C)CCO1 ZINC000091717510 180232593 /nfs/dbraw/zinc/23/25/93/180232593.db2.gz IZMQZPBQTASTQP-HZPDHXFCSA-N 1 0 262.397 2.203 10 0 CEAERO CCC[NH2+][C@H](c1ccsc1)[C@H]1CN(C)CCO1 ZINC000091718973 180233192 /nfs/dbraw/zinc/23/31/92/180233192.db2.gz WRPVHMUXSGQFCS-CHWSQXEVSA-N 1 0 254.399 2.119 10 0 CEAERO CC[NH2+][C@H](Cc1ccn(C2CCCCC2)n1)CN(C)C ZINC000091719789 180234406 /nfs/dbraw/zinc/23/44/06/180234406.db2.gz CSHABEFHDKNRMP-OAHLLOKOSA-N 1 0 278.444 2.471 10 0 CEAERO CCC[NH2+][C@@H](CCc1cccs1)[C@H]1CN(C)CCO1 ZINC000091719144 180234512 /nfs/dbraw/zinc/23/45/12/180234512.db2.gz JJPOGGCYVNXDEY-LSDHHAIUSA-N 1 0 282.453 2.380 10 0 CEAERO CCC[NH2+][C@@H](c1ccc(C)s1)[C@H]1CN(C)CCO1 ZINC000091719544 180234540 /nfs/dbraw/zinc/23/45/40/180234540.db2.gz NOTWGSGRWBRFSV-TZMCWYRMSA-N 1 0 268.426 2.428 10 0 CEAERO [NH3+][C@H](c1cncc2ccccc21)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091720856 180236395 /nfs/dbraw/zinc/23/63/95/180236395.db2.gz WWRJMQIMTCOEMV-KBRIMQKVSA-N 1 0 283.375 2.098 10 0 CEAERO CSc1ccc([C@H](C)[NH2+][C@H]2CCOC[C@@H]2O)cc1 ZINC000624235357 350238473 /nfs/dbraw/zinc/23/84/73/350238473.db2.gz JDVFMDAMWHRVSM-BPNCWPANSA-N 1 0 267.394 2.209 10 0 CEAERO CC1(C)CC([NH2+][C@@H]2CCOC[C@@H]2O)CC(C)(C)C1 ZINC000624238748 350241082 /nfs/dbraw/zinc/24/10/82/350241082.db2.gz XXQJTWZDYGTROV-OLZOCXBDSA-N 1 0 255.402 2.331 10 0 CEAERO CN[C@H](c1cc(F)cc(F)c1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721233 180238339 /nfs/dbraw/zinc/23/83/39/180238339.db2.gz ZQQFQCODXXYBGQ-QLFBSQMISA-N 1 0 282.334 2.089 10 0 CEAERO CCc1ccc(C(=O)NC[C@H]([NH3+])c2ccccc2)o1 ZINC000091762563 180248229 /nfs/dbraw/zinc/24/82/29/180248229.db2.gz FIIFBBOQTVQLSP-ZDUSSCGKSA-N 1 0 258.321 2.272 10 0 CEAERO CCc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2C[NH3+])o1 ZINC000091762972 180248333 /nfs/dbraw/zinc/24/83/33/180248333.db2.gz RQLUZBOKFMIIJU-AAEUAGOBSA-N 1 0 264.369 2.432 10 0 CEAERO CCc1ccc(C(=O)N[C@H]2CCCCC[C@H]2[NH3+])o1 ZINC000091762652 180248393 /nfs/dbraw/zinc/24/83/93/180248393.db2.gz GXQBWZVPKUDXAE-NEPJUHHUSA-N 1 0 250.342 2.232 10 0 CEAERO CCc1ccc(C(=O)NC[C@@H]2CCCC[C@H]2C[NH3+])o1 ZINC000091777353 180251673 /nfs/dbraw/zinc/25/16/73/180251673.db2.gz BZZJHMXCYRUPRA-RYUDHWBXSA-N 1 0 264.369 2.337 10 0 CEAERO CC[NH2+][C@H](C)c1cccn1CC(=O)NCCC(C)C ZINC000091801753 180258885 /nfs/dbraw/zinc/25/88/85/180258885.db2.gz BSWYPLJURWMMPL-CYBMUJFWSA-N 1 0 265.401 2.321 10 0 CEAERO Cc1nn(C)c(Cn2cccc2[C@@H](C)[NH3+])c1Br ZINC000091800125 180259070 /nfs/dbraw/zinc/25/90/70/180259070.db2.gz QDSTYNPWZYWFQI-MRVPVSSYSA-N 1 0 297.200 2.361 10 0 CEAERO Cc1nc([C@H]2CN(C)CCO2)sc1C[NH2+]CC(C)C ZINC000091723165 180241718 /nfs/dbraw/zinc/24/17/18/180241718.db2.gz KDSOFWLMRMPOBZ-GFCCVEGCSA-N 1 0 283.441 2.200 10 0 CEAERO Cc1noc(CC[NH2+]Cc2ccc(OC(C)C)cc2)n1 ZINC000105469558 186058589 /nfs/dbraw/zinc/05/85/89/186058589.db2.gz HTKBXKKGPGBHBW-UHFFFAOYSA-N 1 0 275.352 2.498 10 0 CEAERO Cc1noc(CC[NH2+]Cc2cccc(Br)c2)n1 ZINC000105470162 186058850 /nfs/dbraw/zinc/05/88/50/186058850.db2.gz PVOMFHNUWGGPOF-UHFFFAOYSA-N 1 0 296.168 2.473 10 0 CEAERO CC[NH2+][C@H]1CCCCC[C@H]1c1nc(CN(C)C)no1 ZINC000091747614 180245404 /nfs/dbraw/zinc/24/54/04/180245404.db2.gz YVEJRCMCIVPDMA-NEPJUHHUSA-N 1 0 266.389 2.157 10 0 CEAERO CCN(C(=O)c1ccc2c(c1)COC2)C1CCC([NH3+])CC1 ZINC000091850412 180272500 /nfs/dbraw/zinc/27/25/00/180272500.db2.gz LZUNSRBTTWWVHZ-UHFFFAOYSA-N 1 0 288.391 2.449 10 0 CEAERO CCCN(C(=O)c1ccncc1)C1CCC([NH3+])CC1 ZINC000091852085 180272927 /nfs/dbraw/zinc/27/29/27/180272927.db2.gz HBKWDXIHOBZHJD-UHFFFAOYSA-N 1 0 261.369 2.204 10 0 CEAERO CCOCCC[N@H+](C)C1CCC2(CC1)OCCO2 ZINC000091853557 180273454 /nfs/dbraw/zinc/27/34/54/180273454.db2.gz APEWSXHGDMKLIB-UHFFFAOYSA-N 1 0 257.374 2.031 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)Cc2cccc(F)c2)CC1 ZINC000091854506 180274398 /nfs/dbraw/zinc/27/43/98/180274398.db2.gz ZBTSUOWSBOTHJG-UHFFFAOYSA-N 1 0 278.371 2.357 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)c2ccc(F)cc2)CC1 ZINC000091854459 180274408 /nfs/dbraw/zinc/27/44/08/180274408.db2.gz QHFNGVVRMODYCT-UHFFFAOYSA-N 1 0 264.344 2.428 10 0 CEAERO COC(=O)c1ccc(Cn2ccc([C@H](C)[NH3+])c2)cc1 ZINC000091803620 180259738 /nfs/dbraw/zinc/25/97/38/180259738.db2.gz OOGJCBIVOQQTIJ-NSHDSACASA-N 1 0 258.321 2.343 10 0 CEAERO CCC[NH2+][C@@H](C)c1cccn1CCC(=O)NC1CC1 ZINC000091802614 180260043 /nfs/dbraw/zinc/26/00/43/180260043.db2.gz ILTOYWOXGDXGSN-LBPRGKRZSA-N 1 0 263.385 2.217 10 0 CEAERO CCC[C@H](C)NC(=O)Cn1ccc([C@H](C)[NH2+]CC)c1 ZINC000091805647 180260876 /nfs/dbraw/zinc/26/08/76/180260876.db2.gz RKUJZUCIRZDIDA-STQMWFEESA-N 1 0 265.401 2.463 10 0 CEAERO CC[C@@H]([NH2+]C)c1ccn(CC(=O)N[C@@H](C)C(C)C)c1 ZINC000091816738 180262758 /nfs/dbraw/zinc/26/27/58/180262758.db2.gz YUIIAYIUDDJJBJ-GXTWGEPZSA-N 1 0 265.401 2.319 10 0 CEAERO CCC[C@H]([NH2+]C)c1ccn(CCC(=O)N(C)C)c1 ZINC000091821799 180263997 /nfs/dbraw/zinc/26/39/97/180263997.db2.gz KIUIHDACXLSGQJ-ZDUSSCGKSA-N 1 0 251.374 2.027 10 0 CEAERO CC[NH2+][C@@H](c1ccn(CCC(=O)N(C)C)c1)C(C)C ZINC000091827564 180264835 /nfs/dbraw/zinc/26/48/35/180264835.db2.gz XOAODQDXGSPISU-OAHLLOKOSA-N 1 0 265.401 2.273 10 0 CEAERO CCN(C(=O)c1cccc(O)c1)C1CCC([NH3+])CC1 ZINC000091850223 180271760 /nfs/dbraw/zinc/27/17/60/180271760.db2.gz XFDHDXVDNUKBIZ-UHFFFAOYSA-N 1 0 262.353 2.124 10 0 CEAERO CC(C)n1cncc1[C@H](O)[C@@]1(C[NH3+])CCc2ccccc21 ZINC000091926470 180287793 /nfs/dbraw/zinc/28/77/93/180287793.db2.gz SQMGMLUIAQPDFD-DLBZAZTESA-N 1 0 285.391 2.340 10 0 CEAERO CN(C(=O)N1CCCCCC1)C1(C[NH3+])CCCC1 ZINC000091971118 180294960 /nfs/dbraw/zinc/29/49/60/180294960.db2.gz HMXTXXWOZRVRNG-UHFFFAOYSA-N 1 0 253.390 2.186 10 0 CEAERO CC(C)CN(CCC[NH3+])C(=O)N1CCCCCC1 ZINC000091971064 180295013 /nfs/dbraw/zinc/29/50/13/180295013.db2.gz ISZQTAMXPPZBEG-UHFFFAOYSA-N 1 0 255.406 2.289 10 0 CEAERO CCC1CCC(NC(=O)N2CCCC2)(C(N)=[NH2+])CC1 ZINC000091968835 180294445 /nfs/dbraw/zinc/29/44/45/180294445.db2.gz XZXPHDNHEVVKSE-UHFFFAOYSA-N 1 0 266.389 2.067 10 0 CEAERO CCCN(C(=O)N1CCOCC1)C1(C[NH3+])CCC(C)CC1 ZINC000091970123 180294911 /nfs/dbraw/zinc/29/49/11/180294911.db2.gz IKYAGPNZARGSID-UHFFFAOYSA-N 1 0 297.443 2.058 10 0 CEAERO C[NH2+]C1CCC(N(C)c2nc(C3CC3)ns2)CC1 ZINC000091873701 180278653 /nfs/dbraw/zinc/27/86/53/180278653.db2.gz YXMRNZKBKJKWGL-UHFFFAOYSA-N 1 0 266.414 2.382 10 0 CEAERO C[C@H]1CCC[C@](C[NH3+])(NC(=O)N2CCCCC2)C1 ZINC000091969822 180295053 /nfs/dbraw/zinc/29/50/53/180295053.db2.gz MLKUQRRTKVMRPQ-JSGCOSHPSA-N 1 0 253.390 2.090 10 0 CEAERO CCCC1CCC(C[NH3+])(C2(O)CCOCC2)CC1 ZINC000091907530 180283884 /nfs/dbraw/zinc/28/38/84/180283884.db2.gz VGKJSFULFKRZJA-UHFFFAOYSA-N 1 0 255.402 2.463 10 0 CEAERO [NH3+]CC1([C@@H](O)c2ccc(OC(F)F)cc2)CCC1 ZINC000091909011 180284587 /nfs/dbraw/zinc/28/45/87/180284587.db2.gz HXTZNIHKSAYVKM-NSHDSACASA-N 1 0 257.280 2.450 10 0 CEAERO CC[C@@](C)(C[NH3+])[C@H](O)c1cc2c(c(Cl)c1)OCO2 ZINC000091909941 180284651 /nfs/dbraw/zinc/28/46/51/180284651.db2.gz DLWROURKVYHWEY-OLZOCXBDSA-N 1 0 271.744 2.477 10 0 CEAERO CC[C@](C)(C[NH3+])[C@@H](O)c1ccc(OC)cc1OC ZINC000091909620 180284654 /nfs/dbraw/zinc/28/46/54/180284654.db2.gz GPXOJLKSYNFVJI-UONOGXRCSA-N 1 0 253.342 2.112 10 0 CEAERO Cc1ccc([C@H](O)[C@@]2(C[NH3+])CCc3ccccc32)o1 ZINC000091909169 180284814 /nfs/dbraw/zinc/28/48/14/180284814.db2.gz NYTLNAAUUXPDPF-JKSUJKDBSA-N 1 0 257.333 2.464 10 0 CEAERO [NH3+]C[C@@]1([C@@H](O)c2ccc3ccccc3c2)CCOC1 ZINC000091911641 180285071 /nfs/dbraw/zinc/28/50/71/180285071.db2.gz MUUXQUKWJRYJRK-HOTGVXAUSA-N 1 0 257.333 2.239 10 0 CEAERO [NH3+]C[C@@]1([C@H](O)Cc2ccccc2)CCOc2ccccc21 ZINC000091914017 180285884 /nfs/dbraw/zinc/28/58/84/180285884.db2.gz PUHIEVHHXHPGCM-MSOLQXFVSA-N 1 0 283.371 2.269 10 0 CEAERO CC[C@@](O)(COC)[C@]1(C[NH3+])CCCc2ccccc21 ZINC000091919630 180286681 /nfs/dbraw/zinc/28/66/81/180286681.db2.gz HDXOLGQRPXEZDI-JKSUJKDBSA-N 1 0 263.381 2.007 10 0 CEAERO CC1(C)CCC(C[NH3+])([C@]2(O)CCCOCC2)CC1 ZINC000091922833 180286694 /nfs/dbraw/zinc/28/66/94/180286694.db2.gz ODQPPLRRJHBXLR-HNNXBMFYSA-N 1 0 255.402 2.463 10 0 CEAERO CC[NH2+][C@@H](CC)c1ccc(OC[C@@H]2CN(C)CCO2)cc1 ZINC000092054258 180314065 /nfs/dbraw/zinc/31/40/65/180314065.db2.gz RQLBVNLVHXDRLE-IRXDYDNUSA-N 1 0 292.423 2.457 10 0 CEAERO O=C(N1CCC[C@@H]1[C@H]1CCC[NH2+]1)N1CCCCCC1 ZINC000091971587 180295441 /nfs/dbraw/zinc/29/54/41/180295441.db2.gz MBMRPIISAXBJBL-ZIAGYGMSSA-N 1 0 265.401 2.199 10 0 CEAERO [NH3+][C@H]1CCCCC[C@@H]1NC(=O)N1CCCCCC1 ZINC000091971619 180295635 /nfs/dbraw/zinc/29/56/35/180295635.db2.gz IFTVDRQELTUVOC-STQMWFEESA-N 1 0 253.390 2.232 10 0 CEAERO NC(=[NH2+])c1ccc(CNC(=O)N2CCCCCC2)c(F)c1 ZINC000091972003 180295713 /nfs/dbraw/zinc/29/57/13/180295713.db2.gz WFMUHCOWCSZFHH-UHFFFAOYSA-N 1 0 292.358 2.195 10 0 CEAERO C[C@@H]([NH3+])c1csc(NC(=O)N2CCC[C@H](C)C2)n1 ZINC000091973015 180295962 /nfs/dbraw/zinc/29/59/62/180295962.db2.gz CBLGDIJANNRTHF-DTWKUNHWSA-N 1 0 268.386 2.427 10 0 CEAERO C[C@@H]1CCCN(C(=O)N(C)C2(C[NH3+])CCCCC2)C1 ZINC000091972844 180296099 /nfs/dbraw/zinc/29/60/99/180296099.db2.gz IIPXSJJIBIYKRJ-CYBMUJFWSA-N 1 0 267.417 2.432 10 0 CEAERO C[C@@H]1CCCN(C(=O)N2CCC[C@H]2C2CC[NH2+]CC2)C1 ZINC000091973204 180297001 /nfs/dbraw/zinc/29/70/01/180297001.db2.gz ABCGKHKVHUKCDY-HIFRSBDPSA-N 1 0 279.428 2.302 10 0 CEAERO CC1CCN(C(=O)N[C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000091991055 180299751 /nfs/dbraw/zinc/29/97/51/180299751.db2.gz NEORGOQYNKVTNY-OLZOCXBDSA-N 1 0 253.390 2.088 10 0 CEAERO CC1CCN(C(=O)N(C)[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000091991536 180299802 /nfs/dbraw/zinc/29/98/02/180299802.db2.gz QXXDGUMNVZZLIK-KGLIPLIRSA-N 1 0 267.417 2.288 10 0 CEAERO C[C@@H]1CCCN(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000091991034 180300033 /nfs/dbraw/zinc/30/00/33/180300033.db2.gz LPKFWGFISJVQPK-UKRRQHHQSA-N 1 0 279.428 2.302 10 0 CEAERO CCC[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(C)nc1C[NH2+]C ZINC000091994298 180300973 /nfs/dbraw/zinc/30/09/73/180300973.db2.gz DRZGBDWPWFEKLH-DGCLKSJQSA-N 1 0 293.411 2.182 10 0 CEAERO CCC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(C)nc1C[NH2+]C ZINC000091994299 180301450 /nfs/dbraw/zinc/30/14/50/180301450.db2.gz DRZGBDWPWFEKLH-WCQYABFASA-N 1 0 293.411 2.182 10 0 CEAERO CCC[C@@H](C)NC(=O)[C@H](C)Oc1ccc(C)nc1C[NH2+]C ZINC000091994300 180301483 /nfs/dbraw/zinc/30/14/83/180301483.db2.gz DRZGBDWPWFEKLH-YPMHNXCESA-N 1 0 293.411 2.182 10 0 CEAERO CC[NH2+]Cc1nc(C)ccc1OCc1ccncc1 ZINC000091994902 180301556 /nfs/dbraw/zinc/30/15/56/180301556.db2.gz VFKQUBFWODUWDO-UHFFFAOYSA-N 1 0 257.337 2.474 10 0 CEAERO Cc1ccc(OC2CCOCC2)c(C[NH2+]C(C)C)n1 ZINC000091995356 180302174 /nfs/dbraw/zinc/30/21/74/180302174.db2.gz FQSCTGQVROQYQP-UHFFFAOYSA-N 1 0 264.369 2.446 10 0 CEAERO COC(=O)CCCOc1ccc(C)nc1C[NH2+]C(C)C ZINC000091995375 180302186 /nfs/dbraw/zinc/30/21/86/180302186.db2.gz DIXFZKPIMZILEL-UHFFFAOYSA-N 1 0 280.368 2.220 10 0 CEAERO CCC[NH2+]Cc1nc(C)ccc1OCCCC(=O)N(C)C ZINC000091995201 180302540 /nfs/dbraw/zinc/30/25/40/180302540.db2.gz PLAHUBBSNBARFP-UHFFFAOYSA-N 1 0 293.411 2.137 10 0 CEAERO CC[C@@H]([NH3+])Cc1nc(C)ccc1OCc1ncccn1 ZINC000092000385 180303545 /nfs/dbraw/zinc/30/35/45/180303545.db2.gz ISVBOCFGDZYANB-GFCCVEGCSA-N 1 0 272.352 2.039 10 0 CEAERO COC(C)(C)c1noc(-c2ccccc2CC[NH3+])n1 ZINC000092138070 180333468 /nfs/dbraw/zinc/33/34/68/180333468.db2.gz IGERWVHQTDIBNU-UHFFFAOYSA-N 1 0 261.325 2.119 10 0 CEAERO C[NH2+]C[C@@H](C)Cc1c(C)nc(C(C)(C)OC)nc1C ZINC000092141097 180333861 /nfs/dbraw/zinc/33/38/61/180333861.db2.gz LMDJEZOHNMGNRX-JTQLQIEISA-N 1 0 265.401 2.373 10 0 CEAERO COCc1ccc([C@H](CN)[NH+]2C[C@H](C)[C@@H](C)C2)cc1 ZINC000092082974 180319478 /nfs/dbraw/zinc/31/94/78/180319478.db2.gz SDFQMSHNGJBVSP-XEZPLFJOSA-N 1 0 262.397 2.421 10 0 CEAERO Cc1ccc(NC(=O)C[N@H+]2C[C@H](C)[C@H](C)C2)c(N)c1 ZINC000092081306 180319515 /nfs/dbraw/zinc/31/95/15/180319515.db2.gz OMLKLTLPGLMKIC-TXEJJXNPSA-N 1 0 261.369 2.104 10 0 CEAERO COc1cc(N)ccc1NC(=O)CC[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000092080740 180319604 /nfs/dbraw/zinc/31/96/04/180319604.db2.gz JIHSRRRFBUONDC-TXEJJXNPSA-N 1 0 291.395 2.194 10 0 CEAERO C[C@@H](C(=O)Nc1ccccc1N)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000092081458 180319634 /nfs/dbraw/zinc/31/96/34/180319634.db2.gz DYXOEMZFTBTZIA-TUAOUCFPSA-N 1 0 261.369 2.184 10 0 CEAERO CCOC(=O)[C@](C)(CCCC[N@@H+]1C[C@H](C)[C@H](C)C1)NC ZINC000092087457 180321136 /nfs/dbraw/zinc/32/11/36/180321136.db2.gz GOIDWVPTUHDRPF-LZWOXQAQSA-N 1 0 284.444 2.286 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)NCc2cccc(C(F)(F)F)c2)C1 ZINC000092201273 180342870 /nfs/dbraw/zinc/34/28/70/180342870.db2.gz AMUXQYDEHUUXHL-PWSUYJOCSA-N 1 0 284.281 2.225 10 0 CEAERO Cc1cc(N2CCCC2)ccc1NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092202657 180343378 /nfs/dbraw/zinc/34/33/78/180343378.db2.gz YJPCGSYRFMZIGT-ZIAGYGMSSA-N 1 0 285.391 2.437 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2cnc3ccccc3c2)C1 ZINC000092202912 180343538 /nfs/dbraw/zinc/34/35/38/180343538.db2.gz LNFJOOGKXNBRPB-VXGBXAGGSA-N 1 0 253.305 2.077 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)N(Cc2ccc(F)cc2)C2CC2)C1 ZINC000092204613 180343593 /nfs/dbraw/zinc/34/35/93/180343593.db2.gz LYXXBVJFTVTQRS-GXTWGEPZSA-N 1 0 274.339 2.220 10 0 CEAERO CCN(Cc1cccs1)C(=O)[C@@H]1C=C[C@H]([NH3+])C1 ZINC000092204816 180343677 /nfs/dbraw/zinc/34/36/77/180343677.db2.gz ISOFCJOKYRPEEV-MNOVXSKESA-N 1 0 250.367 2.000 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2ccc(-c3cnco3)cc2)C1 ZINC000092204144 180343730 /nfs/dbraw/zinc/34/37/30/180343730.db2.gz BKCADQXTPCXODH-VXGBXAGGSA-N 1 0 269.304 2.184 10 0 CEAERO Cc1cccc(Cl)c1NC(=O)[C@@H]1C=C[C@H]([NH3+])C1 ZINC000092208664 180344737 /nfs/dbraw/zinc/34/47/37/180344737.db2.gz BJMQMLBHLKYFRR-ZJUUUORDSA-N 1 0 250.729 2.490 10 0 CEAERO CC1CCC(CCNC(=O)[C@@H]2C=C[C@H]([NH3+])C2)CC1 ZINC000092207855 180344963 /nfs/dbraw/zinc/34/49/63/180344963.db2.gz LGGJNTWDQRQNGC-PQAZSJQKSA-N 1 0 250.386 2.222 10 0 CEAERO CCN(C(=O)[C@@H]1CSc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000092239400 180350942 /nfs/dbraw/zinc/35/09/42/180350942.db2.gz SSQFJASMEUYYQB-WCQYABFASA-N 1 0 276.405 2.086 10 0 CEAERO CCC[C@H]1C[NH2+]CCN1C[C@@H]1COc2ccccc21 ZINC000092307254 180360470 /nfs/dbraw/zinc/36/04/70/180360470.db2.gz ZHKRXJCVNJWCGD-KGLIPLIRSA-N 1 0 260.381 2.237 10 0 CEAERO C[C@@H]1CN(C[C@@H]2Cc3ccccc3S2)CCC[NH2+]1 ZINC000092273072 180356297 /nfs/dbraw/zinc/35/62/97/180356297.db2.gz MJNMQTLIMPFZTE-OCCSQVGLSA-N 1 0 262.422 2.387 10 0 CEAERO CC[C@H](C)NC(=O)CC[NH2+]C[C@@H]1COc2ccccc21 ZINC000092299815 180358379 /nfs/dbraw/zinc/35/83/79/180358379.db2.gz XSKUTMYYKRJTEP-QWHCGFSZSA-N 1 0 276.380 2.057 10 0 CEAERO CC(C)=CC[N@@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000105863265 186081263 /nfs/dbraw/zinc/08/12/63/186081263.db2.gz SFFXRLFOCRUBHF-UHFFFAOYSA-N 1 0 276.428 2.246 10 0 CEAERO CC(=O)[C@@H]1CCC[N@H+](C[C@@H]2COc3ccccc32)C1 ZINC000092301864 180359521 /nfs/dbraw/zinc/35/95/21/180359521.db2.gz IFJOOZWJGVPPFF-ZIAGYGMSSA-N 1 0 259.349 2.464 10 0 CEAERO COc1ccc(-c2noc([C@@H]3C=C[C@H]([NH3+])C3)n2)cc1 ZINC000092181392 180338281 /nfs/dbraw/zinc/33/82/81/180338281.db2.gz GZQCEACWYJNICQ-MNOVXSKESA-N 1 0 257.293 2.116 10 0 CEAERO COc1ccccc1Cc1noc([C@@H]2C=C[C@H]([NH3+])C2)n1 ZINC000092181528 180338694 /nfs/dbraw/zinc/33/86/94/180338694.db2.gz XFHLEGCTCDDBKV-NEPJUHHUSA-N 1 0 271.320 2.040 10 0 CEAERO Cc1ccccc1Cc1noc([C@@H]2C=C[C@@H]([NH3+])C2)n1 ZINC000092181610 180338779 /nfs/dbraw/zinc/33/87/79/180338779.db2.gz XWAUBVVXDPPDPA-CHWSQXEVSA-N 1 0 255.321 2.340 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](c2nc(CCc3ccccc3)no2)C1 ZINC000092181545 180338997 /nfs/dbraw/zinc/33/89/97/180338997.db2.gz RRTJKYJIDHEWPQ-QWHCGFSZSA-N 1 0 255.321 2.226 10 0 CEAERO c1ccc2c(c1)OC[C@H]2CN1CC[NH2+]CC12CCCC2 ZINC000092307265 180360674 /nfs/dbraw/zinc/36/06/74/180360674.db2.gz MZHGCIXZPQMOPP-CQSZACIVSA-N 1 0 272.392 2.381 10 0 CEAERO CNc1cc(N2CCC[C@H]2C[NH2+]C2CCCC2)ncn1 ZINC000105904852 186087045 /nfs/dbraw/zinc/08/70/45/186087045.db2.gz AIKLTPWEQIPAFR-ZDUSSCGKSA-N 1 0 275.400 2.019 10 0 CEAERO Cc1cnn(CC[NH2+]Cc2c(F)cccc2F)c1 ZINC000105908713 186087303 /nfs/dbraw/zinc/08/73/03/186087303.db2.gz HGTXMWDYNBHEIT-UHFFFAOYSA-N 1 0 251.280 2.260 10 0 CEAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+]Cc1ccco1)CC2 ZINC000105908107 186088388 /nfs/dbraw/zinc/08/83/88/186088388.db2.gz OJHHLZLWZUMDKU-NSHDSACASA-N 1 0 260.341 2.099 10 0 CEAERO CC[C@@H]1CN(CCOCCC(C)C)CC[N@@H+]1CCOC ZINC000105914429 186088850 /nfs/dbraw/zinc/08/88/50/186088850.db2.gz ITGAJNKWLUDARW-MRXNPFEDSA-N 1 0 286.460 2.092 10 0 CEAERO CCc1nc(Cc2cccnc2)nc(CC)c1CC[NH2+]C ZINC000092318319 180361418 /nfs/dbraw/zinc/36/14/18/180361418.db2.gz VWZCVZNVESYPJD-UHFFFAOYSA-N 1 0 284.407 2.349 10 0 CEAERO Cc1nn(-c2cc(C)ccn2)c(C)c1C[C@@H](C)C[NH3+] ZINC000092322719 180362296 /nfs/dbraw/zinc/36/22/96/180362296.db2.gz BHMVAGXKIIRTAW-LLVKDONJSA-N 1 0 258.369 2.330 10 0 CEAERO c1ccc(SCC[NH2+]CCN2CCCC2)cc1 ZINC000105970194 186095409 /nfs/dbraw/zinc/09/54/09/186095409.db2.gz HFHFGIYGEBDJAA-UHFFFAOYSA-N 1 0 250.411 2.464 10 0 CEAERO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H]1CCN(C(C)C)C1 ZINC000092326441 180363067 /nfs/dbraw/zinc/36/30/67/180363067.db2.gz RHLZLNMNRAKOGX-ZWNOBZJWSA-N 1 0 251.374 2.425 10 0 CEAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCc1ccco1 ZINC000106423643 186117060 /nfs/dbraw/zinc/11/70/60/186117060.db2.gz OGEJYCHKDHGLKH-HNNXBMFYSA-N 1 0 272.348 2.069 10 0 CEAERO COc1cc(OC)cc([C@H](C[NH3+])NCc2ccccc2)c1 ZINC000106024155 186098778 /nfs/dbraw/zinc/09/87/78/186098778.db2.gz GWAXBZYWMDNVRS-KRWDZBQOSA-N 1 0 286.375 2.493 10 0 CEAERO COC(=O)CC[NH2+]Cc1cc(C)nc2ccccc12 ZINC000092345463 180366566 /nfs/dbraw/zinc/36/65/66/180366566.db2.gz ZWHLHZHLFPSIOR-UHFFFAOYSA-N 1 0 258.321 2.196 10 0 CEAERO Cc1cc(NS(=O)(=O)c2cc(Cl)ccc2N)cc[nH+]1 ZINC000092348707 180367136 /nfs/dbraw/zinc/36/71/36/180367136.db2.gz MSPALCGBKDJRLA-UHFFFAOYSA-N 1 0 297.767 2.426 10 0 CEAERO C[C@@H]([NH3+])Cc1nccn1Cc1ccnc2ccccc12 ZINC000092364800 180368396 /nfs/dbraw/zinc/36/83/96/180368396.db2.gz TZRFQUYMRYEKEQ-GFCCVEGCSA-N 1 0 266.348 2.369 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1Cc1cccc(Cl)n1 ZINC000092366526 180368879 /nfs/dbraw/zinc/36/88/79/180368879.db2.gz JJRAKQQQKHHNOP-GFCCVEGCSA-N 1 0 253.777 2.261 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)CCC(=O)Nc1ccccc1 ZINC000106379248 186111516 /nfs/dbraw/zinc/11/15/16/186111516.db2.gz GWJROTYKSWRDFH-INIZCTEOSA-N 1 0 289.423 2.431 10 0 CEAERO CCc1nc(-c2ncccc2C)nc(CC)c1CC[NH3+] ZINC000092318221 180361067 /nfs/dbraw/zinc/36/10/67/180361067.db2.gz VNXLNEIFJJCYGO-UHFFFAOYSA-N 1 0 270.380 2.473 10 0 CEAERO Cc1cc(C)n(C[C@H]2C[N@H+](CCC(C)C)CCO2)n1 ZINC000105893676 186086296 /nfs/dbraw/zinc/08/62/96/186086296.db2.gz JPIAQAWHZDSTCJ-OAHLLOKOSA-N 1 0 265.401 2.247 10 0 CEAERO CCc1nc(Cc2csc(C)n2)nc(CC)c1CC[NH3+] ZINC000092308299 180361169 /nfs/dbraw/zinc/36/11/69/180361169.db2.gz JCYBOOJZPANECF-UHFFFAOYSA-N 1 0 290.436 2.458 10 0 CEAERO COc1ccc2c(c1)[C@](CO)([NH2+]CC1CC1)CCC2 ZINC000092387551 180374696 /nfs/dbraw/zinc/37/46/96/180374696.db2.gz RCPTVOKATRYGEO-INIZCTEOSA-N 1 0 261.365 2.219 10 0 CEAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@H](S(=O)(=O)CC(C)C)CC2 ZINC000092388608 180374840 /nfs/dbraw/zinc/37/48/40/180374840.db2.gz LWXRADHIVHKUBP-HUUCEWRRSA-N 1 0 297.420 2.081 10 0 CEAERO CC(C)[C@H](CO)[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000092392913 180376069 /nfs/dbraw/zinc/37/60/69/180376069.db2.gz MIJKUSJGISLRIC-AWEZNQCLSA-N 1 0 259.353 2.183 10 0 CEAERO CC(C)[C@H](CO)[NH2+]C[C@H]1CSc2ccccc21 ZINC000092395067 180376761 /nfs/dbraw/zinc/37/67/61/180376761.db2.gz SCGNYSKTZSDESH-AAEUAGOBSA-N 1 0 251.395 2.482 10 0 CEAERO Cc1nn(C)c2ncc(C[NH2+]Cc3ncccc3C)cc12 ZINC000106481289 186119890 /nfs/dbraw/zinc/11/98/90/186119890.db2.gz JYKOWFWKJMKKBZ-UHFFFAOYSA-N 1 0 281.363 2.270 10 0 CEAERO C[NH2+]C[C@@H]1CCCN(Cc2cc(Cl)ccn2)C1 ZINC000092417126 180381389 /nfs/dbraw/zinc/38/13/89/180381389.db2.gz XWAYVMDATOSTBN-NSHDSACASA-N 1 0 253.777 2.166 10 0 CEAERO Cc1ccnc(Cl)c1NC(=O)C[NH2+]C(C)(C)C ZINC000092461473 180390473 /nfs/dbraw/zinc/39/04/73/180390473.db2.gz ZTEJPMHSVRIFQJ-UHFFFAOYSA-N 1 0 255.749 2.370 10 0 CEAERO CC[C@@H](C)N1C(=O)C[C@H]([NH2+][C@@H](C)C2CCCCC2)C1=O ZINC000107290419 186166329 /nfs/dbraw/zinc/16/63/29/186166329.db2.gz UMTYTZGUDHUZBK-DYEKYZERSA-N 1 0 280.412 2.471 10 0 CEAERO COc1ccc(-c2cn3c(n2)[C@@H](C)C[C@H]([NH3+])C3)cc1OC ZINC000107827683 186193825 /nfs/dbraw/zinc/19/38/25/186193825.db2.gz JLUGXNOEJMQCLL-JQWIXIFHSA-N 1 0 287.363 2.402 10 0 CEAERO COc1ccc(-c2cn3c(n2)[C@H](C)C[C@H]([NH3+])C3)c(OC)c1 ZINC000107827909 186194278 /nfs/dbraw/zinc/19/42/78/186194278.db2.gz AOIHRCYHBNWWSN-MNOVXSKESA-N 1 0 287.363 2.402 10 0 CEAERO COc1ccc(OC)c(-c2cn3c(n2)[C@H](C)C[C@@H]([NH3+])C3)c1 ZINC000107827774 186194515 /nfs/dbraw/zinc/19/45/15/186194515.db2.gz BSZZPJMMIAFKIA-GHMZBOCLSA-N 1 0 287.363 2.402 10 0 CEAERO CC[C@H](C)N1CCN(C(=[NH2+])Nc2ccccc2)CC1 ZINC000108129331 186205930 /nfs/dbraw/zinc/20/59/30/186205930.db2.gz DIWZJMZXBBYEME-ZDUSSCGKSA-N 1 0 260.385 2.449 10 0 CEAERO CNC(=O)[C@@H](C)[NH2+]Cc1c[nH]c2cc(Cl)ccc12 ZINC000108648258 186224769 /nfs/dbraw/zinc/22/47/69/186224769.db2.gz AELPNRXWIMWCDL-MRVPVSSYSA-N 1 0 265.744 2.045 10 0 CEAERO CCC[C@H](C(N)=S)[NH+]1CCN(C[C@H](C)CC)CC1 ZINC000109470213 186255364 /nfs/dbraw/zinc/25/53/64/186255364.db2.gz YVHZSAXIKLNGDC-CHWSQXEVSA-N 1 0 271.474 2.105 10 0 CEAERO Cc1ccc(-c2nc([C@H](C)N3CC[NH2+]CC3)no2)c(C)c1 ZINC000109473989 186255392 /nfs/dbraw/zinc/25/53/92/186255392.db2.gz OHXSFFFKWXMMJC-ZDUSSCGKSA-N 1 0 286.379 2.320 10 0 CEAERO CCC[NH2+][C@@H]1CCC[C@@H]1c1nc(C[C@@H]2CCCO2)no1 ZINC000109495620 186256381 /nfs/dbraw/zinc/25/63/81/186256381.db2.gz VNMDTBVAJDVMST-RWMBFGLXSA-N 1 0 279.384 2.427 10 0 CEAERO CCC[NH2+][C@H](Cc1nc(-c2ccccn2)no1)C1CC1 ZINC000109497558 186257028 /nfs/dbraw/zinc/25/70/28/186257028.db2.gz BCRQXBUHORMEEP-CYBMUJFWSA-N 1 0 272.352 2.452 10 0 CEAERO COc1cccc(-c2noc([C@@H]3CCC[C@H]3[NH3+])n2)c1 ZINC000109503922 186257098 /nfs/dbraw/zinc/25/70/98/186257098.db2.gz MUXVDHBKRABIFA-VXGBXAGGSA-N 1 0 259.309 2.340 10 0 CEAERO CCC[NH2+][C@H](C)[C@H](C)c1nc(-c2ncccn2)no1 ZINC000109505568 186257654 /nfs/dbraw/zinc/25/76/54/186257654.db2.gz LQOUQEDVNZMREY-VHSXEESVSA-N 1 0 261.329 2.018 10 0 CEAERO COc1ccc(-c2noc([C@H]3CCC[C@@H]3[NH3+])n2)cc1 ZINC000109502976 186257794 /nfs/dbraw/zinc/25/77/94/186257794.db2.gz RJXPDOQDFJLGCJ-RYUDHWBXSA-N 1 0 259.309 2.340 10 0 CEAERO CC[C@@H](c1nc(Cc2ccncc2)no1)[C@@H](C)[NH2+]C ZINC000109509070 186258269 /nfs/dbraw/zinc/25/82/69/186258269.db2.gz QNOKJRZTHMLEIY-ZYHUDNBSSA-N 1 0 260.341 2.157 10 0 CEAERO C[NH2+][C@@H]1CCCC[C@@H]1c1nc(Cc2cccnc2)no1 ZINC000109510751 186258410 /nfs/dbraw/zinc/25/84/10/186258410.db2.gz KVBGSPCEABDLBG-QWHCGFSZSA-N 1 0 272.352 2.301 10 0 CEAERO CC[NH2+][C@@H](Cc1nc(-c2ncccc2C)no1)C1CC1 ZINC000109519315 186259088 /nfs/dbraw/zinc/25/90/88/186259088.db2.gz UTQAOVNUAQZHID-LBPRGKRZSA-N 1 0 272.352 2.371 10 0 CEAERO CC[C@@H]([NH3+])Cc1nc(Cc2cc(F)cc(F)c2)no1 ZINC000109516824 186259103 /nfs/dbraw/zinc/25/91/03/186259103.db2.gz FVFORAFJIDLENW-LLVKDONJSA-N 1 0 267.279 2.218 10 0 CEAERO CCC[NH2+][C@@H](CC)Cc1nc(COCCC)no1 ZINC000109519765 186259295 /nfs/dbraw/zinc/25/92/95/186259295.db2.gz ZRWCQZFGPHVUGK-NSHDSACASA-N 1 0 255.362 2.317 10 0 CEAERO COc1ccc(CN[C@H]2CC[N@@H+](C(C)C)C2)c(OC)c1 ZINC000109553934 186262524 /nfs/dbraw/zinc/26/25/24/186262524.db2.gz WUHFNBJKXQNCKQ-AWEZNQCLSA-N 1 0 278.396 2.276 10 0 CEAERO CC[NH2+][C@@H]1c2ccc(Oc3cccnc3)cc2NC1=O ZINC000109575657 186263682 /nfs/dbraw/zinc/26/36/82/186263682.db2.gz PEJPDFPLPRZYEU-CQSZACIVSA-N 1 0 269.304 2.477 10 0 CEAERO Cc1nccn1-c1cc(C(=O)[O-])nc2ccccc21 ZINC000109586639 186264150 /nfs/dbraw/zinc/26/41/50/186264150.db2.gz GGRPIAYTOVSKSU-UHFFFAOYSA-N 1 0 253.261 2.427 10 0 CEAERO CCOC(=O)C1CCN(Cc2ccc(C[NH3+])cc2F)CC1 ZINC000109603609 186266841 /nfs/dbraw/zinc/26/68/41/186266841.db2.gz WAVBTCKYNFHWNF-UHFFFAOYSA-N 1 0 294.370 2.060 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1C(=S)NCc1cccs1 ZINC000109670904 186268483 /nfs/dbraw/zinc/26/84/83/186268483.db2.gz UZSYWYBSWHZYSO-LLVKDONJSA-N 1 0 283.466 2.149 10 0 CEAERO Cn1cnnc1CC[NH2+][C@H]1CCCc2ccccc21 ZINC000109421498 186251535 /nfs/dbraw/zinc/25/15/35/186251535.db2.gz JKWYBPNGVRKPHP-AWEZNQCLSA-N 1 0 256.353 2.025 10 0 CEAERO CC(C)c1[nH+]c2cc(N)ccc2n1CCc1nncn1C ZINC000109425684 186251579 /nfs/dbraw/zinc/25/15/79/186251579.db2.gz VMNANFQPWLDPNF-UHFFFAOYSA-N 1 0 284.367 2.113 10 0 CEAERO COc1ccc2c(c1)CCC[C@H]2[NH2+]CCc1nncn1C ZINC000109420744 186251622 /nfs/dbraw/zinc/25/16/22/186251622.db2.gz MVVXIRVJGGRWIW-OAHLLOKOSA-N 1 0 286.379 2.033 10 0 CEAERO CC(C)Oc1ccc([C@H](C)[NH2+]CCc2nncn2C)cc1 ZINC000109421103 186251800 /nfs/dbraw/zinc/25/18/00/186251800.db2.gz KXTMOSSSENPVBJ-ZDUSSCGKSA-N 1 0 288.395 2.496 10 0 CEAERO CC[C@@H](C(N)=S)[NH+]1CCN(Cc2cccc(C)c2)CC1 ZINC000109469795 186253684 /nfs/dbraw/zinc/25/36/84/186253684.db2.gz MMARKOIBGWLALA-HNNXBMFYSA-N 1 0 291.464 2.177 10 0 CEAERO CCC[C@H](C(N)=S)[NH+]1CCN(C(=O)C(CC)CC)CC1 ZINC000109463628 186253686 /nfs/dbraw/zinc/25/36/86/186253686.db2.gz FRZXDVJKKJTLSN-CYBMUJFWSA-N 1 0 299.484 2.022 10 0 CEAERO CCCC[C@@H](CC)C[NH+]1CCN([C@H](C)C(N)=S)CC1 ZINC000109468030 186253987 /nfs/dbraw/zinc/25/39/87/186253987.db2.gz PMIYMICFJKTODM-ZIAGYGMSSA-N 1 0 285.501 2.495 10 0 CEAERO C[C@@H]1CCc2nc(C(C)(C)N3CC[NH2+]CC3)sc2C1 ZINC000109472971 186254591 /nfs/dbraw/zinc/25/45/91/186254591.db2.gz RRQZLWIJRAHBTH-LLVKDONJSA-N 1 0 279.453 2.408 10 0 CEAERO CC[C@H](c1noc(-c2ccccc2C)n1)N1CC[NH2+]CC1 ZINC000109474606 186255127 /nfs/dbraw/zinc/25/51/27/186255127.db2.gz DXBNOBGUQRSVPX-CQSZACIVSA-N 1 0 286.379 2.401 10 0 CEAERO CCCc1csc([C@H](CC)N2CC[NH2+]CC2)n1 ZINC000109472594 186255314 /nfs/dbraw/zinc/25/53/14/186255314.db2.gz ITFJYGXMMKQGTC-LBPRGKRZSA-N 1 0 253.415 2.452 10 0 CEAERO CCc1nc(N2CC[C@@H]([NH+]3CCCCC3)C2)sc1CO ZINC000110276277 186289903 /nfs/dbraw/zinc/28/99/03/186289903.db2.gz QXUPECANUCOJEH-GFCCVEGCSA-N 1 0 295.452 2.262 10 0 CEAERO CCC[C@H]([NH3+])Cc1nc(-c2ccc(OC)cc2)no1 ZINC000110444803 186296634 /nfs/dbraw/zinc/29/66/34/186296634.db2.gz FGJQBGZPSXWEFI-NSHDSACASA-N 1 0 261.325 2.415 10 0 CEAERO CC[NH2+][C@H](C)[C@H](CC)c1nc(C[C@@H]2CCCO2)no1 ZINC000110461156 186297513 /nfs/dbraw/zinc/29/75/13/186297513.db2.gz KNWQTHDAADQTEA-WOPDTQHZSA-N 1 0 267.373 2.283 10 0 CEAERO Cc1cccc(-c2noc([C@H]3CCC[C@H]([NH3+])C3)n2)n1 ZINC000110473357 186297796 /nfs/dbraw/zinc/29/77/96/186297796.db2.gz MQMPCQWZSHCYKK-QWRGUYRKSA-N 1 0 258.325 2.425 10 0 CEAERO CC[C@@]1(c2nc(-c3cccc(C)n3)no2)CCC[NH2+]C1 ZINC000110480731 186298857 /nfs/dbraw/zinc/29/88/57/186298857.db2.gz CCOVXJJIJBEREU-OAHLLOKOSA-N 1 0 272.352 2.471 10 0 CEAERO CC(C)[NH2+]CCc1nnc([C@@H]2COc3ccccc3C2)o1 ZINC000110541237 186302398 /nfs/dbraw/zinc/30/23/98/186302398.db2.gz UQNIVZVZIUYAJP-ZDUSSCGKSA-N 1 0 287.363 2.329 10 0 CEAERO O[C@@]1(c2ccccc2OC(F)(F)F)CCC[NH2+]C1 ZINC000110551235 186303036 /nfs/dbraw/zinc/30/30/36/186303036.db2.gz RPDRTIXHDGQCKM-NSHDSACASA-N 1 0 261.243 2.156 10 0 CEAERO CC[C@@H](C)N(CCOC)C(=O)CC1CCC(C[NH3+])CC1 ZINC000110618169 186305747 /nfs/dbraw/zinc/30/57/47/186305747.db2.gz NNXKQRFMRLNRII-WLYUNCDWSA-N 1 0 284.444 2.415 10 0 CEAERO COc1cc(NC[C@@H]2CCC[N@H+](C)C2)c(N)cc1F ZINC000110627397 186306317 /nfs/dbraw/zinc/30/63/17/186306317.db2.gz SUDDJQCRGIPGOR-JTQLQIEISA-N 1 0 267.348 2.170 10 0 CEAERO CCOc1cc(NCC[N@H+](C)CC)c(N)cc1F ZINC000110634550 186307296 /nfs/dbraw/zinc/30/72/96/186307296.db2.gz IJHKWLUADZOYHO-UHFFFAOYSA-N 1 0 255.337 2.170 10 0 CEAERO CCOc1cc(N(C)C[C@@H]2CC[N@H+](C)C2)c(N)cc1F ZINC000110634754 186307567 /nfs/dbraw/zinc/30/75/67/186307567.db2.gz TVMYLJOOMHFGAV-LLVKDONJSA-N 1 0 281.375 2.195 10 0 CEAERO C[C@H](CCc1ccco1)NC(=O)C[NH2+]C(C)(C)C ZINC000110838487 186328243 /nfs/dbraw/zinc/32/82/43/186328243.db2.gz WXFNNNAAYQCZBN-LLVKDONJSA-N 1 0 252.358 2.105 10 0 CEAERO CNc1nc(C[N@H+](C)CC2CCCC2)nc2c1cnn2C ZINC000110841505 186328279 /nfs/dbraw/zinc/32/82/79/186328279.db2.gz LQSDVRQOPILIOT-UHFFFAOYSA-N 1 0 288.399 2.027 10 0 CEAERO OC[C@@]1([NH2+]C2CC2)CCc2cc(Br)ccc2C1 ZINC000110831648 186328942 /nfs/dbraw/zinc/32/89/42/186328942.db2.gz RMQJCCGVKYGHPO-CQSZACIVSA-N 1 0 296.208 2.421 10 0 CEAERO c1cc(CC[NH2+]CCSc2cnccn2)cs1 ZINC000110915385 186332290 /nfs/dbraw/zinc/33/22/90/186332290.db2.gz GBLRCVUMEGBIBQ-UHFFFAOYSA-N 1 0 265.407 2.463 10 0 CEAERO CN(CCC(=O)Nc1ccccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000110931439 186333203 /nfs/dbraw/zinc/33/32/03/186333203.db2.gz AHWKFRYHHCQVMK-GFCCVEGCSA-N 1 0 295.814 2.352 10 0 CEAERO CN(Cc1cc2c(c(Cl)c1)OCO2)[C@H]1CCC[NH2+]C1 ZINC000110931183 186333352 /nfs/dbraw/zinc/33/33/52/186333352.db2.gz NUWJBHYMYNKGLH-NSHDSACASA-N 1 0 282.771 2.253 10 0 CEAERO CN(CCOc1cccc(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000110930908 186333564 /nfs/dbraw/zinc/33/35/64/186333564.db2.gz YKAFOFPAEZMPCJ-ZDUSSCGKSA-N 1 0 268.788 2.403 10 0 CEAERO CCN(C(=O)CSC(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC000110939675 186334600 /nfs/dbraw/zinc/33/46/00/186334600.db2.gz JBBLKQQPKVKTPX-NSHDSACASA-N 1 0 258.431 2.119 10 0 CEAERO CCN(Cc1cnn(-c2ccccc2)c1)[C@H]1CCC[NH2+]C1 ZINC000110936324 186335071 /nfs/dbraw/zinc/33/50/71/186335071.db2.gz XVFJDGAWMJFIGF-KRWDZBQOSA-N 1 0 284.407 2.446 10 0 CEAERO CCCN(c1ncccc1C(=O)OCC)[C@H]1CCC[NH2+]C1 ZINC000110948641 186335696 /nfs/dbraw/zinc/33/56/96/186335696.db2.gz IAWKBVATJFHBKS-ZDUSSCGKSA-N 1 0 291.395 2.227 10 0 CEAERO c1ccc2[nH]c(Cc3noc([C@H]4CCC[NH2+]C4)n3)nc2c1 ZINC000110949293 186335905 /nfs/dbraw/zinc/33/59/05/186335905.db2.gz HBLXPTMDGCSQSN-JTQLQIEISA-N 1 0 283.335 2.004 10 0 CEAERO C[NH2+][C@H](C)CCc1nc(Cc2nc3ccccc3[nH]2)no1 ZINC000110951499 186336425 /nfs/dbraw/zinc/33/64/25/186336425.db2.gz YMPZZWJXDMFERQ-SNVBAGLBSA-N 1 0 285.351 2.077 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(C)cc1OC[C@@H]1CNC(=O)O1 ZINC000110960798 186337449 /nfs/dbraw/zinc/33/74/49/186337449.db2.gz YNOSAQHZZCKBQV-RYUDHWBXSA-N 1 0 278.352 2.153 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(C)cc1OCCS(=O)(=O)CC ZINC000110961398 186338098 /nfs/dbraw/zinc/33/80/98/186338098.db2.gz LDSYWYFZKYRGHM-ZDUSSCGKSA-N 1 0 299.436 2.479 10 0 CEAERO Cc1ccc([C@H](C[NH3+])N(C)C2CCOCC2)cc1F ZINC000110977169 186338533 /nfs/dbraw/zinc/33/85/33/186338533.db2.gz OVPVEJGHMKUJNZ-HNNXBMFYSA-N 1 0 266.360 2.245 10 0 CEAERO CC[N@@H+]1CCN(Cc2cc(N)ccc2Cl)C[C@@H]1C ZINC000110702303 186313807 /nfs/dbraw/zinc/31/38/07/186313807.db2.gz KJJNFIWGLJSBFY-NSHDSACASA-N 1 0 267.804 2.448 10 0 CEAERO CC[C@@H]1CN(C(=O)c2ccc(Cl)c(N)c2)CC[N@@H+]1C ZINC000110700886 186313933 /nfs/dbraw/zinc/31/39/33/186313933.db2.gz SDLJNGUBTGHYJK-LLVKDONJSA-N 1 0 281.787 2.088 10 0 CEAERO NC(=[NH2+])c1ccc(Oc2ccccc2CO)c(F)c1 ZINC000110993737 186341537 /nfs/dbraw/zinc/34/15/37/186341537.db2.gz QSUBJLYZENGCBD-UHFFFAOYSA-N 1 0 260.268 2.394 10 0 CEAERO CN1CC[N@H+](CCCOc2ccccc2N)CC1(C)C ZINC000110704452 186314617 /nfs/dbraw/zinc/31/46/17/186314617.db2.gz DWANUSTZNVKLJZ-UHFFFAOYSA-N 1 0 277.412 2.064 10 0 CEAERO CC[C@H]1C[N@@H+]([C@@H]2CCc3ccccc3[C@@H]2O)CCN1C ZINC000110735972 186316954 /nfs/dbraw/zinc/31/69/54/186316954.db2.gz PYVMNQWMEXSZFJ-UAGQMJEPSA-N 1 0 274.408 2.061 10 0 CEAERO COc1ccc([C@@H](C)O)cc1CN1CC[N@H+](C)C(C)(C)C1 ZINC000110736330 186317654 /nfs/dbraw/zinc/31/76/54/186317654.db2.gz BZFKVWSLUIAQTI-CYBMUJFWSA-N 1 0 292.423 2.275 10 0 CEAERO CC[C@@H]1C[N@@H+]([C@@H]2CCCc3ccccc3[C@@H]2O)CCN1C ZINC000110736195 186317865 /nfs/dbraw/zinc/31/78/65/186317865.db2.gz JCQOGDHRRNOYFU-NXHRZFHOSA-N 1 0 288.435 2.451 10 0 CEAERO CCOc1ccc([C@H](O)CN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000110736627 186319424 /nfs/dbraw/zinc/31/94/24/186319424.db2.gz QDSSSHRYIXMAFD-MRXNPFEDSA-N 1 0 292.423 2.145 10 0 CEAERO CC[C@@H]1CN(C(=O)c2cccc3[nH]ccc32)CC[N@@H+]1C ZINC000110767545 186323250 /nfs/dbraw/zinc/32/32/50/186323250.db2.gz JWTDATMCVOVMKF-GFCCVEGCSA-N 1 0 271.364 2.334 10 0 CEAERO O=C(NCC[C@@H]1CCC[NH2+]C1)c1cc(Cl)ccc1O ZINC000110791685 186324217 /nfs/dbraw/zinc/32/42/17/186324217.db2.gz YDPDOYNFHZZDOQ-JTQLQIEISA-N 1 0 282.771 2.165 10 0 CEAERO CCC[C@@H]1CC[C@H](C[NH3+])[C@H](SCCS(C)(=O)=O)C1 ZINC000111005491 186342263 /nfs/dbraw/zinc/34/22/63/186342263.db2.gz MLMUTKQOXFOAOQ-JHJVBQTASA-N 1 0 293.498 2.308 10 0 CEAERO Cc1cc2c(n1[C@@H]1CCC(=O)NC1)CC(C)(C)C[C@@H]2[NH3+] ZINC000111024625 186346088 /nfs/dbraw/zinc/34/60/88/186346088.db2.gz HGPODZODSIXQHN-YPMHNXCESA-N 1 0 275.396 2.220 10 0 CEAERO CCNc1ccc(C(=O)N(C)CCC[NH+](C)C)cc1C ZINC000111151852 186360737 /nfs/dbraw/zinc/36/07/37/186360737.db2.gz IIDISUHWEGGWDF-UHFFFAOYSA-N 1 0 277.412 2.451 10 0 CEAERO C[C@H](N)[C@H](c1cccs1)[N@H+](C)CC1CCOCC1 ZINC000111156092 186362034 /nfs/dbraw/zinc/36/20/34/186362034.db2.gz HVVDYEBNCPQJBD-SMDDNHRTSA-N 1 0 268.426 2.495 10 0 CEAERO C[C@H](N)[C@@H](c1cccs1)[N@H+](C)CC1CCOCC1 ZINC000111156087 186362474 /nfs/dbraw/zinc/36/24/74/186362474.db2.gz HVVDYEBNCPQJBD-FZMZJTMJSA-N 1 0 268.426 2.495 10 0 CEAERO CCCOCCOC[C@@H]([NH3+])c1ccccc1OC ZINC000111107837 186352837 /nfs/dbraw/zinc/35/28/37/186352837.db2.gz SXLCDJGJYWZCRD-CYBMUJFWSA-N 1 0 253.342 2.138 10 0 CEAERO CCCOCCOC[C@@H]([NH2+]C)c1ccc(OC)c(OC)c1 ZINC000111107891 186353107 /nfs/dbraw/zinc/35/31/07/186353107.db2.gz XYUXISPWDHXQKL-CQSZACIVSA-N 1 0 297.395 2.408 10 0 CEAERO CCCOCCOc1ccc2c(c1)NC(=O)[C@H]2[NH2+]CC ZINC000111109323 186353265 /nfs/dbraw/zinc/35/32/65/186353265.db2.gz MQDHICGIXGQFLY-AWEZNQCLSA-N 1 0 278.352 2.095 10 0 CEAERO CC[NH+](CC)[C@@H](CNCC(OC)OC)c1ccccc1 ZINC000111111680 186353753 /nfs/dbraw/zinc/35/37/53/186353753.db2.gz XYKOLSVZXMGGNN-HNNXBMFYSA-N 1 0 280.412 2.278 10 0 CEAERO CCCOCCOC[C@H]([NH2+]C)c1ccc(OC)cc1OC ZINC000111108187 186353820 /nfs/dbraw/zinc/35/38/20/186353820.db2.gz OOMQWVQJZVIZSM-HNNXBMFYSA-N 1 0 297.395 2.408 10 0 CEAERO CCOCC[N@H+](CC)C[C@@H]1CNc2ccccc2O1 ZINC000111125448 186354857 /nfs/dbraw/zinc/35/48/57/186354857.db2.gz HJHLIVDSPRXZTQ-ZDUSSCGKSA-N 1 0 264.369 2.218 10 0 CEAERO CCOCC[N@H+](CC)C[C@@H](O)c1ccc(OC)cc1 ZINC000111121471 186354965 /nfs/dbraw/zinc/35/49/65/186354965.db2.gz KCJGWHURMXZTEQ-OAHLLOKOSA-N 1 0 267.369 2.087 10 0 CEAERO CCOCCN(CC)[C@H](C[NH3+])c1ccc(OC)c(OC)c1 ZINC000111117322 186355109 /nfs/dbraw/zinc/35/51/09/186355109.db2.gz HJYANTDZGTYAAT-CQSZACIVSA-N 1 0 296.411 2.062 10 0 CEAERO O=C(NCC[C@H]1CCCC[NH2+]1)[C@@H]1CCOc2ccccc21 ZINC000111186360 186367599 /nfs/dbraw/zinc/36/75/99/186367599.db2.gz UZNXXCPJHAQLOG-UKRRQHHQSA-N 1 0 288.391 2.201 10 0 CEAERO CN(CC1CCOCC1)c1nc2c(s1)[C@H]([NH3+])CCC2 ZINC000111177180 186365220 /nfs/dbraw/zinc/36/52/20/186365220.db2.gz VUPMDYQXMUVGBT-LLVKDONJSA-N 1 0 281.425 2.342 10 0 CEAERO C[C@H]1CCC(=O)[C@H](C[N@H+](C)C[C@@H]2CCCOC2)C1 ZINC000111171086 186365800 /nfs/dbraw/zinc/36/58/00/186365800.db2.gz DEEMRHCSRLACOT-IHRRRGAJSA-N 1 0 253.386 2.350 10 0 CEAERO Cc1cc(C)c(C(N)=S)c(N(C)C[C@@H]2CCCOC2)[nH+]1 ZINC000111178322 186365870 /nfs/dbraw/zinc/36/58/70/186365870.db2.gz DWCBPHZEHQCWDQ-LBPRGKRZSA-N 1 0 293.436 2.195 10 0 CEAERO C[N@H+](C[C@@H]1CCCOC1)C[C@@H]1Cc2ccccc2CN1 ZINC000111179137 186366772 /nfs/dbraw/zinc/36/67/72/186366772.db2.gz VINIVRLEQNASQW-YOEHRIQHSA-N 1 0 274.408 2.059 10 0 CEAERO [NH3+][C@H](c1noc([C@@H]2CCOc3ccccc32)n1)C1CC1 ZINC000111189368 186367071 /nfs/dbraw/zinc/36/70/71/186367071.db2.gz JNKIXDQWYURISZ-YPMHNXCESA-N 1 0 271.320 2.394 10 0 CEAERO [NH3+][C@H]1CCCCC[C@@H]1NC(=O)c1ccc2c(c1)COC2 ZINC000111306399 186394504 /nfs/dbraw/zinc/39/45/04/186394504.db2.gz OPBJVAWDZVANQS-GJZGRUSLSA-N 1 0 274.364 2.107 10 0 CEAERO C[C@@H]([NH3+])[C@@H](Sc1nnc(N(C)C)s1)c1cccnc1 ZINC000111315261 186395430 /nfs/dbraw/zinc/39/54/30/186395430.db2.gz IGRYRCXIRPBKEZ-PSASIEDQSA-N 1 0 295.437 2.180 10 0 CEAERO CC(C)[NH2+]CCCCSc1nnc(N(C)C)s1 ZINC000111317158 186396399 /nfs/dbraw/zinc/39/63/99/186396399.db2.gz RNAQAQMDTWETHD-UHFFFAOYSA-N 1 0 274.459 2.474 10 0 CEAERO COCC[NH2+][C@@H](c1nc2c(s1)CCC2)[C@@H]1CCCOC1 ZINC000111322358 186396627 /nfs/dbraw/zinc/39/66/27/186396627.db2.gz PPHKAWXWDQZDMB-BXUZGUMPSA-N 1 0 296.436 2.336 10 0 CEAERO CCN(C[C@]1(C[NH3+])CCCOC1)c1ccc(F)cc1 ZINC000111326611 186398087 /nfs/dbraw/zinc/39/80/87/186398087.db2.gz QSFYVKANFGALIF-OAHLLOKOSA-N 1 0 266.360 2.408 10 0 CEAERO OC[C@@]1(C[N@@H+]2CC[C@@H](c3ccccc3)C2)CCCOC1 ZINC000111331195 186399747 /nfs/dbraw/zinc/39/97/47/186399747.db2.gz RBATUKKSIDKJFO-SJORKVTESA-N 1 0 275.392 2.265 10 0 CEAERO C[C@@]1([NH2+]C[C@@H]2CCCc3ccccc32)CCS(=O)(=O)C1 ZINC000111342356 186402530 /nfs/dbraw/zinc/40/25/30/186402530.db2.gz IHEMYSCOWKRPIL-GOEBONIOSA-N 1 0 293.432 2.273 10 0 CEAERO FC(F)(F)[C@@]1(c2nncn2-c2ccccc2)CC[NH2+]C1 ZINC000111241470 186374149 /nfs/dbraw/zinc/37/41/49/186374149.db2.gz LKAVHTYBCNRKHK-LBPRGKRZSA-N 1 0 282.269 2.061 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000111263539 186380087 /nfs/dbraw/zinc/38/00/87/186380087.db2.gz KOFOGUJZJNIZQF-LDYMZIIASA-N 1 0 288.269 2.379 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000111263754 186381754 /nfs/dbraw/zinc/38/17/54/186381754.db2.gz XDVLAVUVQWDLGM-APPZFPTMSA-N 1 0 256.708 2.273 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)N(Cc1ccccc1)C1CC1 ZINC000111264075 186381891 /nfs/dbraw/zinc/38/18/91/186381891.db2.gz PVAOKIODJQKYKP-WFASDCNBSA-N 1 0 258.365 2.033 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1CCCc2ccccc21 ZINC000111264242 186381929 /nfs/dbraw/zinc/38/19/29/186381929.db2.gz NUDISJCHYWUQCY-BYCMXARLSA-N 1 0 258.365 2.036 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000111263758 186382105 /nfs/dbraw/zinc/38/21/05/186382105.db2.gz XDVLAVUVQWDLGM-VXNVDRBHSA-N 1 0 256.708 2.273 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N(C)Cc1ccccc1Cl ZINC000111267941 186382647 /nfs/dbraw/zinc/38/26/47/186382647.db2.gz DSJQATNXJOOHAX-PWSUYJOCSA-N 1 0 266.772 2.154 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(N(C)C)c(Cl)c1 ZINC000111267694 186382856 /nfs/dbraw/zinc/38/28/56/186382856.db2.gz KBRKDXIVNGHVDK-ONGXEEELSA-N 1 0 281.787 2.200 10 0 CEAERO Cc1ccc(CN(C(=O)[C@H]2C[NH2+]C[C@H]2C)C2CC2)cc1 ZINC000111268816 186384202 /nfs/dbraw/zinc/38/42/02/186384202.db2.gz QTXDEIDTAFYJRD-CJNGLKHVSA-N 1 0 272.392 2.342 10 0 CEAERO CCC(CC)N(CC(F)(F)F)C(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000111269148 186384478 /nfs/dbraw/zinc/38/44/78/186384478.db2.gz GQWPNRFWWACVEP-ONGXEEELSA-N 1 0 280.334 2.421 10 0 CEAERO CC[C@@H]1C[N@H+](C[C@](C)(O)c2ccccc2)C[C@H](C)O1 ZINC000111275528 186387426 /nfs/dbraw/zinc/38/74/26/186387426.db2.gz JWQSPMNKSOMXMO-IMJJTQAJSA-N 1 0 263.381 2.393 10 0 CEAERO C[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc(C[NH3+])cn1 ZINC000111282444 186389485 /nfs/dbraw/zinc/38/94/85/186389485.db2.gz KYFALUSONVANAG-NSHDSACASA-N 1 0 287.338 2.040 10 0 CEAERO CC(C)c1c(Cl)ncnc1N[C@H]1CC[N@H+](C)C1 ZINC000111297335 186392486 /nfs/dbraw/zinc/39/24/86/186392486.db2.gz PMSPKGHGWQWCEO-VIFPVBQESA-N 1 0 254.765 2.369 10 0 CEAERO [NH3+]CCc1c(N2CCc3ccccc3C2)nc2sccn12 ZINC000111478337 186421427 /nfs/dbraw/zinc/42/14/27/186421427.db2.gz YPEZNKJGJWNKBR-UHFFFAOYSA-N 1 0 298.415 2.460 10 0 CEAERO COc1ccccc1N(C)c1c(C[C@H](C)[NH3+])c(C)nn1C ZINC000111502667 186424807 /nfs/dbraw/zinc/42/48/07/186424807.db2.gz SJOXAYOCIGBXNJ-NSHDSACASA-N 1 0 288.395 2.395 10 0 CEAERO CC[NH2+][C@@H](C)CCc1nc(-c2cc(C)ccn2)no1 ZINC000111682928 186442342 /nfs/dbraw/zinc/44/23/42/186442342.db2.gz KXKZXSYQQXZRRI-NSHDSACASA-N 1 0 260.341 2.371 10 0 CEAERO C[C@@H](C(=O)N1CCCC1)N1CCCC[C@@H]1C[NH2+]C(C)(C)C ZINC000111703993 186447920 /nfs/dbraw/zinc/44/79/20/186447920.db2.gz HFQRRENJWUPPBE-LSDHHAIUSA-N 1 0 295.471 2.240 10 0 CEAERO CCC[NH2+][C@H](C)[C@@H]1CCCN(Cc2ncccn2)C1 ZINC000111707397 186448184 /nfs/dbraw/zinc/44/81/84/186448184.db2.gz CDRMJVZXRBRMQH-ZIAGYGMSSA-N 1 0 262.401 2.077 10 0 CEAERO CCC[NH2+][C@@H](C)[C@@H]1CCCN([C@@H](C)C(=O)NC(C)(C)C)C1 ZINC000111707954 186449196 /nfs/dbraw/zinc/44/91/96/186449196.db2.gz BKKDLSOPAAPWQJ-SOUVJXGZSA-N 1 0 297.487 2.390 10 0 CEAERO CC[NH2+][C@H](C)[C@@H]1CCCCN1CC(=O)NCCC(C)C ZINC000111711557 186449519 /nfs/dbraw/zinc/44/95/19/186449519.db2.gz SOAKNNFLOBCCTB-CABCVRRESA-N 1 0 283.460 2.001 10 0 CEAERO C[NH2+][C@@H](C)[C@H]1CCCCN1S(=O)(=O)C1CCCCC1 ZINC000111715130 186450594 /nfs/dbraw/zinc/45/05/94/186450594.db2.gz YWPSDBCFIJOHTO-GXTWGEPZSA-N 1 0 288.457 2.111 10 0 CEAERO CCC[NH2+][C@H](C)[C@@H]1CCCCN1CC(=O)N[C@@H](C)C(C)C ZINC000111712549 186450617 /nfs/dbraw/zinc/45/06/17/186450617.db2.gz KWWOYIMAHLATLW-XHSDSOJGSA-N 1 0 297.487 2.390 10 0 CEAERO [NH3+]C1CCC(OCCNc2ccc(Cl)cn2)CC1 ZINC000111756032 186453687 /nfs/dbraw/zinc/45/36/87/186453687.db2.gz URJDHBHATWBPLB-UHFFFAOYSA-N 1 0 269.776 2.433 10 0 CEAERO C[C@@H]([NH3+])c1ccccc1Nc1ccc(S(N)(=O)=O)cc1 ZINC000111379591 186409244 /nfs/dbraw/zinc/40/92/44/186409244.db2.gz OPTYQQRNUWRIPF-SNVBAGLBSA-N 1 0 291.376 2.097 10 0 CEAERO CCC[NH2+][C@H](C)CCCCn1c(C)nc(C)cc1=O ZINC000111400962 186411858 /nfs/dbraw/zinc/41/18/58/186411858.db2.gz JJGNXUPWRHGRFJ-GFCCVEGCSA-N 1 0 265.401 2.419 10 0 CEAERO CCC[NH2+]CC1CCN(c2ncnc(OC)c2C)CC1 ZINC000090789023 535157371 /nfs/dbraw/zinc/15/73/71/535157371.db2.gz PHBIFAWIFUGUHK-UHFFFAOYSA-N 1 0 278.400 2.010 10 0 CEAERO CN1CC[C@H](C[NH3+])[C@@H]1c1ccc(Br)s1 ZINC000069796076 363001830 /nfs/dbraw/zinc/00/18/30/363001830.db2.gz VRTDNNMRSZEZRJ-GMSGAONNSA-N 1 0 275.215 2.462 10 0 CEAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1cccc2ccccc21 ZINC000628467099 351107362 /nfs/dbraw/zinc/10/73/62/351107362.db2.gz OIKXYBSPRQPISR-HOTGVXAUSA-N 1 0 257.333 2.079 10 0 CEAERO CCCCCCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113576755 186587913 /nfs/dbraw/zinc/58/79/13/186587913.db2.gz ZXIASCGEGUIMSG-UONOGXRCSA-N 1 0 267.417 2.445 10 0 CEAERO CO[C@@H]1C[NH2+][C@@](C)(c2nc(C3CCCCC3)no2)C1 ZINC000629678750 351465496 /nfs/dbraw/zinc/46/54/96/351465496.db2.gz DLLGUIOFADXWLN-SMDDNHRTSA-N 1 0 265.357 2.341 10 0 CEAERO COc1ccccc1NC(=O)N1CCC(CC[NH3+])CC1 ZINC000070187931 363051133 /nfs/dbraw/zinc/05/11/33/363051133.db2.gz LZZGOXWKNQHQSB-UHFFFAOYSA-N 1 0 277.368 2.288 10 0 CEAERO C[C@H]1C[N@H+](Cc2cccc3c2OCO3)CCS1 ZINC000131341514 366044099 /nfs/dbraw/zinc/04/40/99/366044099.db2.gz SOWZZDYVHNHLCK-JTQLQIEISA-N 1 0 251.351 2.353 10 0 CEAERO CC[C@H](CC(=O)N1C[C@@H](OC)C[C@@]1(C)C[NH3+])C(C)(C)C ZINC000630376090 351716404 /nfs/dbraw/zinc/71/64/04/351716404.db2.gz SWYXFVOECJRGGI-WWGRRREGSA-N 1 0 284.444 2.414 10 0 CEAERO CO[C@H]1CN(C(=O)c2cc(C)cc(Cl)c2)[C@@](C)(C[NH3+])C1 ZINC000630375366 351716495 /nfs/dbraw/zinc/71/64/95/351716495.db2.gz RNVUOUUJXOWXOI-UKRRQHHQSA-N 1 0 296.798 2.227 10 0 CEAERO CCc1cc(N2CC[C@H]([NH3+])C2)nc(-c2ccccc2F)n1 ZINC000070455831 363085402 /nfs/dbraw/zinc/08/54/02/363085402.db2.gz DKPYLVSEIJQBTJ-NSHDSACASA-N 1 0 286.354 2.383 10 0 CEAERO CO[C@H]1CN(CCSc2ccc(F)cc2)[C@@](C)(C[NH3+])C1 ZINC000630364018 351713401 /nfs/dbraw/zinc/71/34/01/351713401.db2.gz CHVSIZRPLUZFIO-UKRRQHHQSA-N 1 0 298.427 2.356 10 0 CEAERO CO[C@@H]1CN(Cc2ccsc2Cl)[C@](C)(C[NH3+])C1 ZINC000630367194 351714178 /nfs/dbraw/zinc/71/41/78/351714178.db2.gz MTGXUHDJOFIXRL-JQWIXIFHSA-N 1 0 274.817 2.340 10 0 CEAERO CO[C@@H]1CN(Cc2cc(F)ccc2Cl)[C@](C)(C[NH3+])C1 ZINC000630369258 351714307 /nfs/dbraw/zinc/71/43/07/351714307.db2.gz WFIBGDFWVAEQPW-JSGCOSHPSA-N 1 0 286.778 2.417 10 0 CEAERO CO[C@H]1CN(Cc2cccc(Cl)c2F)[C@@](C)(C[NH3+])C1 ZINC000630370095 351715512 /nfs/dbraw/zinc/71/55/12/351715512.db2.gz YOCSOPBBJLUNNH-BXUZGUMPSA-N 1 0 286.778 2.417 10 0 CEAERO C[C@]12C[NH2+]C[C@@]1(C)CN(c1ccc(Br)cn1)C2 ZINC000630538876 351777352 /nfs/dbraw/zinc/77/73/52/351777352.db2.gz QNYWOYTVAQRPMB-BETUJISGSA-N 1 0 296.212 2.280 10 0 CEAERO [NH3+][C@H]1CCCCCN(c2nccc(C(F)(F)F)n2)C1 ZINC000630550021 351781504 /nfs/dbraw/zinc/78/15/04/351781504.db2.gz NMAVDYJLWJYKLN-VIFPVBQESA-N 1 0 274.290 2.203 10 0 CEAERO [NH3+][C@@H](CCNc1cn[nH]c(=O)c1Cl)Cc1ccccc1 ZINC000630570946 351787953 /nfs/dbraw/zinc/78/79/53/351787953.db2.gz NAEWGTTXCZDTJL-NSHDSACASA-N 1 0 292.770 2.208 10 0 CEAERO [NH3+][C@@H](CCNc1ccc(F)cn1)Cc1ccccc1 ZINC000630569945 351788203 /nfs/dbraw/zinc/78/82/03/351788203.db2.gz KUVDJVVJMNVVGB-AWEZNQCLSA-N 1 0 259.328 2.015 10 0 CEAERO CCC[C@H](C(=O)NCc1ncc(CC)s1)[NH+](C)C ZINC000121906504 187004398 /nfs/dbraw/zinc/00/43/98/187004398.db2.gz FTDYNNMMUOAXPP-LLVKDONJSA-N 1 0 269.414 2.052 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccsc1C(=O)OC ZINC000122681035 187045363 /nfs/dbraw/zinc/04/53/63/187045363.db2.gz OJSOEDXLKCTWGA-ZDUSSCGKSA-N 1 0 296.436 2.451 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(F)ccc1O ZINC000124066477 187120938 /nfs/dbraw/zinc/12/09/38/187120938.db2.gz QSCBXRNLQMTJDJ-LBPRGKRZSA-N 1 0 280.343 2.088 10 0 CEAERO Cc1cnc([C@@H](C)[NH2+]C[C@@H](O)COC(C)(C)C)s1 ZINC000124320681 187131799 /nfs/dbraw/zinc/13/17/99/187131799.db2.gz FDWYYMGMQHWOGR-GHMZBOCLSA-N 1 0 272.414 2.278 10 0 CEAERO Cc1ccsc1[C@H](C)[NH2+]C[C@H](C)N1CCOCC1 ZINC000123357832 187087063 /nfs/dbraw/zinc/08/70/63/187087063.db2.gz NZJBRSYDZGTIFF-STQMWFEESA-N 1 0 268.426 2.428 10 0 CEAERO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)N1CCOCC1)CC2 ZINC000123445583 187092117 /nfs/dbraw/zinc/09/21/17/187092117.db2.gz BSBFNWCKFVJZLZ-PBHICJAKSA-N 1 0 274.408 2.293 10 0 CEAERO Cc1ccc(CC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000123767051 187107760 /nfs/dbraw/zinc/10/77/60/187107760.db2.gz AJYSNWPKYYWHTO-OAHLLOKOSA-N 1 0 260.381 2.090 10 0 CEAERO CCc1cc2c(ncnc2N(C)[C@H](C)C[NH3+])s1 ZINC000123764765 187108167 /nfs/dbraw/zinc/10/81/67/187108167.db2.gz PEUXJZGPNJFJMF-MRVPVSSYSA-N 1 0 250.371 2.037 10 0 CEAERO O=C1CCCN1c1ccc(NC[C@H]2CCC[NH2+]C2)cc1 ZINC000130906245 187527988 /nfs/dbraw/zinc/52/79/88/187527988.db2.gz OTIQGPDTYAQVCZ-ZDUSSCGKSA-N 1 0 273.380 2.225 10 0 CEAERO [NH3+][C@H]1CCC[C@@H](C(=O)NCCCOC2CCCCC2)C1 ZINC000070577492 363098535 /nfs/dbraw/zinc/09/85/35/363098535.db2.gz FZBSOGHGNQWDDE-KGLIPLIRSA-N 1 0 282.428 2.360 10 0 CEAERO Cc1ccccc1CCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000094183847 539870825 /nfs/dbraw/zinc/87/08/25/539870825.db2.gz XVRBSOMTGWBWLI-AWEZNQCLSA-N 1 0 260.381 2.043 10 0 CEAERO Cn1ncc2c1ncnc2NCC[NH2+]C1CCCCCC1 ZINC000133560903 187693120 /nfs/dbraw/zinc/69/31/20/187693120.db2.gz LHBXSGXEZJMQEM-UHFFFAOYSA-N 1 0 288.399 2.088 10 0 CEAERO CCN1CCO[C@H](C[NH2+]C[C@H]2CCCC[C@H]2C)C1 ZINC000252644361 539884438 /nfs/dbraw/zinc/88/44/38/539884438.db2.gz OMQMWLNEVOWRAV-RBSFLKMASA-N 1 0 254.418 2.123 10 0 CEAERO COc1ccc([C@H](C)NC(=O)CC2([NH3+])CCC2)cc1OC ZINC000094294952 539874912 /nfs/dbraw/zinc/87/49/12/539874912.db2.gz POLBWJJMBURFCO-NSHDSACASA-N 1 0 292.379 2.153 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)CC[NH2+]C2CC2)cc1F ZINC000094956322 539888408 /nfs/dbraw/zinc/88/84/08/539888408.db2.gz VBECNFQEGLCGEJ-NSHDSACASA-N 1 0 264.344 2.453 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000252740380 539897248 /nfs/dbraw/zinc/89/72/48/539897248.db2.gz JGLWXVPGKKGILB-HOCLYGCPSA-N 1 0 278.371 2.123 10 0 CEAERO Nc1cccc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000250126457 539964432 /nfs/dbraw/zinc/96/44/32/539964432.db2.gz XGOQUGVAGLGGII-GOEBONIOSA-N 1 0 260.381 2.396 10 0 CEAERO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250647105 539967155 /nfs/dbraw/zinc/96/71/55/539967155.db2.gz MOEMFCPGSTZZTL-YVSFHVDLSA-N 1 0 284.403 2.423 10 0 CEAERO [NH3+][C@H](CCC(=O)NC[C@@H]1CCCC[C@H]1O)c1ccccc1 ZINC000250796720 539968789 /nfs/dbraw/zinc/96/87/89/539968789.db2.gz BIXRALDNYXSIER-ARFHVFGLSA-N 1 0 290.407 2.134 10 0 CEAERO Cc1ccc(C[C@H](C)NC(=O)[C@@H]2CCC[C@H]2C[NH3+])s1 ZINC000251225186 539972778 /nfs/dbraw/zinc/97/27/78/539972778.db2.gz JLMYXAQZUSFSEK-VHRBIJSZSA-N 1 0 280.437 2.479 10 0 CEAERO Cc1cccc(C)c1C[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000154137738 188125335 /nfs/dbraw/zinc/12/53/35/188125335.db2.gz XWDBYYIDRTWVQZ-OAHLLOKOSA-N 1 0 260.381 2.356 10 0 CEAERO CCC[C@@H](C(=O)N1CCO[C@@H](c2ccsc2)C1)[NH+](C)C ZINC000154273259 188132561 /nfs/dbraw/zinc/13/25/61/188132561.db2.gz MPRNKEKBWQOCJT-UONOGXRCSA-N 1 0 296.436 2.378 10 0 CEAERO C[N@H+](CCOCc1ccccc1)C[C@@H](O)COC(C)(C)C ZINC000154429686 188141044 /nfs/dbraw/zinc/14/10/44/188141044.db2.gz TUVYLKLTFCAZBD-MRXNPFEDSA-N 1 0 295.423 2.311 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc(F)c(F)c1 ZINC000154790359 188162688 /nfs/dbraw/zinc/16/26/88/188162688.db2.gz WFPPHPSOCHKYJS-DGCLKSJQSA-N 1 0 294.345 2.202 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Cc2ccc(F)c(F)c2)C1 ZINC000155288917 188195863 /nfs/dbraw/zinc/19/58/63/188195863.db2.gz AXMCMRAUSPZRSH-ABAIWWIYSA-N 1 0 296.361 2.352 10 0 CEAERO Cc1nc(C)c(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)s1 ZINC000155313188 188198360 /nfs/dbraw/zinc/19/83/60/188198360.db2.gz OJHYWFHRFOQHIN-JOYOIKCWSA-N 1 0 281.425 2.218 10 0 CEAERO CCC[C@@H](C(=O)N1CCC[C@@H](n2cc(C)cn2)C1)[NH+](C)C ZINC000155640484 188218315 /nfs/dbraw/zinc/21/83/15/188218315.db2.gz DIGPHQMBGXTFOC-CABCVRRESA-N 1 0 292.427 2.085 10 0 CEAERO COc1ccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000155686891 188221323 /nfs/dbraw/zinc/22/13/23/188221323.db2.gz VRUCMJHVIYDFLZ-WFASDCNBSA-N 1 0 276.380 2.154 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(N(C)C)cc2)C1 ZINC000155362604 188200883 /nfs/dbraw/zinc/20/08/83/188200883.db2.gz FJSYZPQLHZBUNA-CJNGLKHVSA-N 1 0 289.423 2.211 10 0 CEAERO CSc1ccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)o1 ZINC000155371016 188201882 /nfs/dbraw/zinc/20/18/82/188201882.db2.gz JRXCQFURWSMNHQ-MNOVXSKESA-N 1 0 282.409 2.460 10 0 CEAERO CC[N@H+](C)Cc1cccc(CNC(=O)C[C@@H](O)C(C)C)c1 ZINC000157150522 188300030 /nfs/dbraw/zinc/30/00/30/188300030.db2.gz QCBJSWKSYUNDQE-MRXNPFEDSA-N 1 0 292.423 2.162 10 0 CEAERO CC(C)[C@@H](CO)[NH2+]C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000156400813 188260323 /nfs/dbraw/zinc/26/03/23/188260323.db2.gz YVFBFMVCBPQBQY-UKRRQHHQSA-N 1 0 296.798 2.440 10 0 CEAERO C[C@@H]1CCCC[C@@H]1N(C)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000252108406 539999033 /nfs/dbraw/zinc/99/90/33/539999033.db2.gz HJPQDTLWLKBPQP-RFGFWPKPSA-N 1 0 252.402 2.399 10 0 CEAERO CC(C)c1ccc(CN(C)C(=O)C2([NH3+])CCOCC2)cc1 ZINC000132169793 366122792 /nfs/dbraw/zinc/12/27/92/366122792.db2.gz ZJCNPCLPNWIIQQ-UHFFFAOYSA-N 1 0 290.407 2.276 10 0 CEAERO C[C@H](C[C@H]1COCCN1)[NH2+][C@H](C)c1cc(F)ccc1F ZINC000252972147 540011673 /nfs/dbraw/zinc/01/16/73/540011673.db2.gz YYSXJAJBJREJRL-WZRBSPASSA-N 1 0 284.350 2.382 10 0 CEAERO Cc1cccc(NC[C@@H]2CC[N@H+](CCCF)C2)n1 ZINC000132896930 366178567 /nfs/dbraw/zinc/17/85/67/366178567.db2.gz KWDWXWNDMISDIY-ZDUSSCGKSA-N 1 0 251.349 2.483 10 0 CEAERO CCN1CCC[C@H]([NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)C1 ZINC000133070411 366192991 /nfs/dbraw/zinc/19/29/91/366192991.db2.gz KKGVJRZOWAWJOR-HOCLYGCPSA-N 1 0 299.422 2.402 10 0 CEAERO CC(C)[NH+](CCCNC(=O)N[C@H](C)[C@H]1CCCO1)C(C)C ZINC000074853992 363405888 /nfs/dbraw/zinc/40/58/88/363405888.db2.gz BPQZXAOAPLBEGV-HUUCEWRRSA-N 1 0 299.459 2.362 10 0 CEAERO CC(C)[C@@H](C)C(=O)NC[C@H]1[NH2+]CCOc2ccccc21 ZINC000675057869 540078146 /nfs/dbraw/zinc/07/81/46/540078146.db2.gz MDMJFVKVRQHOFY-TZMCWYRMSA-N 1 0 276.380 2.118 10 0 CEAERO COc1ccc(CN2C[C@@H]([NH2+]C(C)(C)C)CC2=O)cc1 ZINC000675070378 540112746 /nfs/dbraw/zinc/11/27/46/540112746.db2.gz VUOGLVVTPNDBKA-ZDUSSCGKSA-N 1 0 276.380 2.184 10 0 CEAERO CN(C(=O)C1CCC([NH3+])CC1)c1ccc(F)cc1 ZINC000258655030 540115826 /nfs/dbraw/zinc/11/58/26/540115826.db2.gz BDQKZHKWBPDIND-UHFFFAOYSA-N 1 0 250.317 2.306 10 0 CEAERO COc1ccc(N(C)C(=O)C2CCC([NH3+])CC2)cc1 ZINC000258906303 540117828 /nfs/dbraw/zinc/11/78/28/540117828.db2.gz WUFVJHIGTMGRML-UHFFFAOYSA-N 1 0 262.353 2.176 10 0 CEAERO CC[C@@H]1C[N@H+](C[C@@H]2CCC[C@H](O)C2)[C@H](CC)CO1 ZINC000403935020 540117840 /nfs/dbraw/zinc/11/78/40/540117840.db2.gz LTOHGVIMZWXQLI-APIJFGDWSA-N 1 0 255.402 2.427 10 0 CEAERO O[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@H](N3CCCCC3)C2)C1 ZINC000381929611 540145617 /nfs/dbraw/zinc/14/56/17/540145617.db2.gz WOVQVAVJRDSBMB-OWCLPIDISA-N 1 0 266.429 2.098 10 0 CEAERO CCN(C(=O)[C@@H](C)[NH2+]C)[C@H](C)c1ccc(F)cc1 ZINC000054075260 540200619 /nfs/dbraw/zinc/20/06/19/540200619.db2.gz LJUQVHJVVHKKGI-GHMZBOCLSA-N 1 0 252.333 2.343 10 0 CEAERO COc1ccccc1N(C)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054292509 540206413 /nfs/dbraw/zinc/20/64/13/540206413.db2.gz HFFQPLPKSGEDHL-GFCCVEGCSA-N 1 0 262.353 2.048 10 0 CEAERO CCC[C@H](C(=O)N[C@@H](C)c1ncc(C)s1)[NH+](C)C ZINC000133703670 366249469 /nfs/dbraw/zinc/24/94/69/366249469.db2.gz FLVXELQJNHSMHG-WDEREUQCSA-N 1 0 269.414 2.359 10 0 CEAERO Cc1cc(I)cc(N[C@H](C)C[NH3+])c1 ZINC000575489117 366292037 /nfs/dbraw/zinc/29/20/37/366292037.db2.gz YZZAOHBNTSQJKN-MRVPVSSYSA-N 1 0 290.148 2.359 10 0 CEAERO COc1c(C[NH2+]CCc2ccsc2)c(C)nn1C ZINC000134115598 366287872 /nfs/dbraw/zinc/28/78/72/366287872.db2.gz JYIMTHMLTYSSPC-UHFFFAOYSA-N 1 0 265.382 2.131 10 0 CEAERO [NH3+][C@H]1CO[C@@H](c2ccc(I)cc2)C1 ZINC000575507513 366292508 /nfs/dbraw/zinc/29/25/08/366292508.db2.gz ICICZJFKICUFFH-NXEZZACHSA-N 1 0 289.116 2.080 10 0 CEAERO COc1c(C[NH2+]CCc2cccc(C)c2)c(C)nn1C ZINC000134160212 366292810 /nfs/dbraw/zinc/29/28/10/366292810.db2.gz VUMHRJVLBKIIIU-UHFFFAOYSA-N 1 0 273.380 2.378 10 0 CEAERO CC1(C)CC[C@@H](CN2C(=O)c3ccccc3C2=O)[NH2+]C1 ZINC000575545647 366294491 /nfs/dbraw/zinc/29/44/91/366294491.db2.gz PMQCOUMDAVTIBU-NSHDSACASA-N 1 0 272.348 2.061 10 0 CEAERO [NH3+]C1(Cc2ccc(Br)cc2)CSC1 ZINC000575549440 366295125 /nfs/dbraw/zinc/29/51/25/366295125.db2.gz KCJXSEQVIPMKNE-UHFFFAOYSA-N 1 0 258.184 2.436 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@]2(CC1)[NH2+]CCS2 ZINC000575572458 366296017 /nfs/dbraw/zinc/29/60/17/366296017.db2.gz VULFDIKRFFNVSB-ZDUSSCGKSA-N 1 0 272.414 2.440 10 0 CEAERO [NH3+][C@@]1(c2cnsc2)CCN(Cc2ccccc2)C1 ZINC000575558371 366296113 /nfs/dbraw/zinc/29/61/13/366296113.db2.gz CQRDTBVEDCZFRR-AWEZNQCLSA-N 1 0 259.378 2.203 10 0 CEAERO C[C@H]1C[C@H]1NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000076078127 363519472 /nfs/dbraw/zinc/51/94/72/363519472.db2.gz GNDMOCBFHCRODV-SWLSCSKDSA-N 1 0 279.428 2.349 10 0 CEAERO CCc1cc(C[NH3+])c(I)c(OC)c1 ZINC000575725196 366348107 /nfs/dbraw/zinc/34/81/07/366348107.db2.gz HVPASBNBJCMGBG-UHFFFAOYSA-N 1 0 291.132 2.321 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000227399763 538821849 /nfs/dbraw/zinc/82/18/49/538821849.db2.gz RAUDTGNKXOPMSS-AXFHLTTASA-N 1 0 278.318 2.162 10 0 CEAERO Cc1cnc(NCc2ccc(C[NH3+])cc2F)nc1C ZINC000386556846 540259439 /nfs/dbraw/zinc/25/94/39/540259439.db2.gz NGPNLEPQVLVFNB-UHFFFAOYSA-N 1 0 260.316 2.303 10 0 CEAERO c1ccc(N2CCC([NH2+]CC[C@@H]3CCCO3)CC2)nc1 ZINC000038096179 538862384 /nfs/dbraw/zinc/86/23/84/538862384.db2.gz GWUFOOLDRIOGEI-HNNXBMFYSA-N 1 0 275.396 2.209 10 0 CEAERO C[C@H]1C[C@H](C[NH3+])CN1c1cc(C(F)(F)F)ccn1 ZINC000216235492 538882606 /nfs/dbraw/zinc/88/26/06/538882606.db2.gz LHJKUMCJKUCICA-DTWKUNHWSA-N 1 0 259.275 2.274 10 0 CEAERO CC(C)(C)[C@H]1CCCN(C(=O)C2(C[NH3+])CCOCC2)CC1 ZINC000079308079 363588225 /nfs/dbraw/zinc/58/82/25/363588225.db2.gz DFVWZDNALNTIJP-AWEZNQCLSA-N 1 0 296.455 2.417 10 0 CEAERO C[C@H]([NH3+])CC(=O)Nc1cc(C(F)(F)F)ccc1O ZINC000167439177 540392245 /nfs/dbraw/zinc/39/22/45/540392245.db2.gz MLWGOYCEGMKURT-LURJTMIESA-N 1 0 262.231 2.087 10 0 CEAERO CCOc1ccc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1F ZINC000135259307 366417422 /nfs/dbraw/zinc/41/74/22/366417422.db2.gz YDBDRWDXBPOSMT-VHSXEESVSA-N 1 0 266.316 2.290 10 0 CEAERO Cc1cc(F)ccc1C(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000135350320 366429767 /nfs/dbraw/zinc/42/97/67/366429767.db2.gz QXLJZIUECHKPCC-FZMZJTMJSA-N 1 0 264.344 2.156 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)NC[C@@H](C)COCc1ccccc1 ZINC000236952100 370664672 /nfs/dbraw/zinc/66/46/72/370664672.db2.gz CBVAJYZQEKWMHC-UKRRQHHQSA-N 1 0 278.396 2.083 10 0 CEAERO CCC[C@H]1CCCN(C(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000578142933 366451287 /nfs/dbraw/zinc/45/12/87/366451287.db2.gz ZGSKGUNQJDBTFF-KBPBESRZSA-N 1 0 252.402 2.415 10 0 CEAERO C[C@]1(C(=O)N2CCC[C@@H](C(F)(F)F)C2)CCCC[NH2+]1 ZINC000136139136 366498068 /nfs/dbraw/zinc/49/80/68/366498068.db2.gz YPBJAFOQROQHGE-ZYHUDNBSSA-N 1 0 278.318 2.320 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCCC12CCCCC2 ZINC000312967295 540463114 /nfs/dbraw/zinc/46/31/14/540463114.db2.gz DGIDDGNBNLFPIY-MGPQQGTHSA-N 1 0 264.413 2.461 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1c1ccnc(C(F)(F)F)c1 ZINC000261556030 283460748 /nfs/dbraw/zinc/46/07/48/283460748.db2.gz BUXWFXLTXCXJCL-JTQLQIEISA-N 1 0 259.275 2.418 10 0 CEAERO O[C@]12CCCC[C@@H]1C[N@H+](Cc1cnc3ccccn13)CC2 ZINC000140432099 366560332 /nfs/dbraw/zinc/56/03/32/366560332.db2.gz RKACTEMXZVYXCD-PBHICJAKSA-N 1 0 285.391 2.461 10 0 CEAERO NC(=O)C[C@H]([NH2+][C@H]1CCN(C2CC2)C1=O)C1CCCCC1 ZINC000329439294 202335639 /nfs/dbraw/zinc/33/56/39/202335639.db2.gz MOGBNIRYSHONBI-KBPBESRZSA-N 1 0 293.411 2.214 10 0 CEAERO CC(C)[C@@H]1CN(c2ncc3ccccc3n2)CC[NH2+]1 ZINC000141639234 366565580 /nfs/dbraw/zinc/56/55/80/366565580.db2.gz BBDWFBPXVYICMX-AWEZNQCLSA-N 1 0 256.353 2.064 10 0 CEAERO C[C@H](NC[C@H](O)C[NH+]1CCCCC1)c1cccnc1Cl ZINC000151277525 366636185 /nfs/dbraw/zinc/63/61/85/366636185.db2.gz BWCJZAWATYGCLA-STQMWFEESA-N 1 0 297.830 2.232 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCS[C@H]2CCCC[C@@H]21 ZINC000261757175 283513627 /nfs/dbraw/zinc/51/36/27/283513627.db2.gz NELBCXXACZJYFB-MQYQWHSLSA-N 1 0 282.453 2.248 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(C(C)C)n[nH]1 ZINC000177021206 189021256 /nfs/dbraw/zinc/02/12/56/189021256.db2.gz IBELWNBRYBHCPL-LBPRGKRZSA-N 1 0 278.400 2.089 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cccc(OC)c1 ZINC000177038739 189023748 /nfs/dbraw/zinc/02/37/48/189023748.db2.gz WPHCJVRCZFAFJI-CQSZACIVSA-N 1 0 276.380 2.252 10 0 CEAERO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2)C[C@@H]1N1CCOCC1 ZINC000177242173 189038955 /nfs/dbraw/zinc/03/89/55/189038955.db2.gz IBPKVGWZYCVLAO-CJNGLKHVSA-N 1 0 294.826 2.493 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(N(C)C)cc1 ZINC000177423064 189050316 /nfs/dbraw/zinc/05/03/16/189050316.db2.gz DFXRPLDPLVXNAP-INIZCTEOSA-N 1 0 289.423 2.309 10 0 CEAERO CSC[C@@H](C)NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000152019849 366682920 /nfs/dbraw/zinc/68/29/20/366682920.db2.gz CAPQIVSKQSNJQC-OCCSQVGLSA-N 1 0 295.452 2.340 10 0 CEAERO CCC[C@H](C(=O)Nc1ccc2c[nH]nc2c1)[NH+](C)C ZINC000179368759 189189787 /nfs/dbraw/zinc/18/97/87/189189787.db2.gz FKJMDDOAOANRNU-CYBMUJFWSA-N 1 0 260.341 2.232 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(c3ncccc3Br)C[C@@H]12 ZINC000261571987 283597344 /nfs/dbraw/zinc/59/73/44/283597344.db2.gz HXQLPUNPCFLVGA-FXPVBKGRSA-N 1 0 282.185 2.018 10 0 CEAERO CCC[C@H](C(=O)NCc1ccc([C@H](C)O)cc1)[NH+](C)C ZINC000179599528 189206333 /nfs/dbraw/zinc/20/63/33/189206333.db2.gz XELFMROXEKKKOX-SWLSCSKDSA-N 1 0 278.396 2.086 10 0 CEAERO CC[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1cc(F)ccc1F ZINC000180488966 189258111 /nfs/dbraw/zinc/25/81/11/189258111.db2.gz RZYJOKHYBIWKTQ-DOMZBBRYSA-N 1 0 284.350 2.336 10 0 CEAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc2ccccc2n1 ZINC000180490479 189258186 /nfs/dbraw/zinc/25/81/86/189258186.db2.gz 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c1ncn([C@@H]2CCC[N@@H+](CC3=Cc4ccccc4OC3)C2)n1 ZINC000119512304 365284095 /nfs/dbraw/zinc/28/40/95/365284095.db2.gz ROIJILKCCZKHQJ-MRXNPFEDSA-N 1 0 296.374 2.391 10 0 CEAERO CC(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@@H](C)O2)CC1 ZINC000120042678 365365391 /nfs/dbraw/zinc/36/53/91/365365391.db2.gz JQOQTOFKOMLYDY-ZBFHGGJFSA-N 1 0 296.455 2.428 10 0 CEAERO CC[C@H]1CN(Cc2sccc2C)CC[N@@H+]1C[C@@H](C)O ZINC000120715129 365464044 /nfs/dbraw/zinc/46/40/44/365464044.db2.gz JBAPXTGXYOESHN-KGLIPLIRSA-N 1 0 282.453 2.334 10 0 CEAERO CCc1ccc(CC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000120733362 365468128 /nfs/dbraw/zinc/46/81/28/365468128.db2.gz GOJGSKHQMPZJIM-WMLDXEAASA-N 1 0 286.419 2.487 10 0 CEAERO COc1cc([C@H](C)[NH2+][C@@H]2C[C@H]2C)ccc1S(C)(=O)=O ZINC000120470413 365429479 /nfs/dbraw/zinc/42/94/79/365429479.db2.gz PKCFTNIGVGPUPX-JFGNBEQYSA-N 1 0 283.393 2.158 10 0 CEAERO COc1cc([C@H](C)[NH2+][C@H]2C[C@@H]2C)ccc1S(C)(=O)=O ZINC000120470263 365429574 /nfs/dbraw/zinc/42/95/74/365429574.db2.gz PKCFTNIGVGPUPX-NHCYSSNCSA-N 1 0 283.393 2.158 10 0 CEAERO C[C@@H]1COC[C@H](C)[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000120773523 365474694 /nfs/dbraw/zinc/47/46/94/365474694.db2.gz OIFTWBQXXMJFDS-OKILXGFUSA-N 1 0 271.364 2.482 10 0 CEAERO c1cc(C2CC[NH+](Cc3cnc4ccccn34)CC2)n[nH]1 ZINC000159217772 366890063 /nfs/dbraw/zinc/89/00/63/366890063.db2.gz SOXKXYUWSJKBRD-UHFFFAOYSA-N 1 0 281.363 2.437 10 0 CEAERO O=C(C(C1CC1)C1CC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000120853857 365485710 /nfs/dbraw/zinc/48/57/10/365485710.db2.gz JHNDTYBAUCZECI-AWEZNQCLSA-N 1 0 262.397 2.119 10 0 CEAERO CCCSCC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000120966561 365503576 /nfs/dbraw/zinc/50/35/76/365503576.db2.gz OBZVBUMTMWVJBE-GFCCVEGCSA-N 1 0 260.447 2.222 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nc(C(C)(C)C)no1 ZINC000245417663 370817122 /nfs/dbraw/zinc/81/71/22/370817122.db2.gz GDVIDVJCONNGTR-STQMWFEESA-N 1 0 292.427 2.426 10 0 CEAERO Cc1csc2c1ncnc2NCC[C@H]1CC[NH2+]C1 ZINC000222336515 189730711 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OC[C@@H]1[NH2+]CC[C@@]12c1ccccc1N[C@H]2c1ccccc1 ZINC000584643339 367174633 /nfs/dbraw/zinc/17/46/33/367174633.db2.gz PIJJKUWTSBAZKU-OKZBNKHCSA-N 1 0 280.371 2.445 10 0 CEAERO C[C@@H]1CN(C(=O)Cc2c(F)cccc2Cl)C[C@@H]1C[NH3+] ZINC000638884673 370819624 /nfs/dbraw/zinc/81/96/24/370819624.db2.gz IHAYGZABCNAECB-ZJUUUORDSA-N 1 0 284.762 2.075 10 0 CEAERO C[C@H]1CN(C(=O)c2cc(Cl)ccc2F)C[C@H]1C[NH3+] ZINC000638885605 370819770 /nfs/dbraw/zinc/81/97/70/370819770.db2.gz CQTGWWJAZGKXIW-DTWKUNHWSA-N 1 0 270.735 2.146 10 0 CEAERO C[C@H]1CN(C(=O)c2cccc(Br)c2)C[C@@H]1C[NH3+] ZINC000638887521 370822252 /nfs/dbraw/zinc/82/22/52/370822252.db2.gz VPLVQIWBZSQXRT-ONGXEEELSA-N 1 0 297.196 2.116 10 0 CEAERO C[C@@H]1CN(C(=O)[C@H]2CCCc3sccc32)C[C@H]1C[NH3+] ZINC000638901672 370830237 /nfs/dbraw/zinc/83/02/37/370830237.db2.gz VUPMAJZEHDJYKT-WZRBSPASSA-N 1 0 278.421 2.221 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)NCCSc2ccccc2)C1 ZINC000170826681 367426575 /nfs/dbraw/zinc/42/65/75/367426575.db2.gz ZIDYPDSBFQQCKE-ZDUSSCGKSA-N 1 0 293.436 2.124 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)Cc2c(F)cccc2Cl)C1 ZINC000170863329 367434590 /nfs/dbraw/zinc/43/45/90/367434590.db2.gz XLOPKOSAZVNRLJ-JTQLQIEISA-N 1 0 284.762 2.184 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)CCCOc2ccccc2)C1 ZINC000170862387 367434761 /nfs/dbraw/zinc/43/47/61/367434761.db2.gz BKKMRAVRODZQCH-AWEZNQCLSA-N 1 0 276.380 2.008 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2nccc3ccccc32)C1 ZINC000170864485 367436158 /nfs/dbraw/zinc/43/61/58/367436158.db2.gz VXRMUFCZNMAZDQ-CYBMUJFWSA-N 1 0 269.348 2.011 10 0 CEAERO Cc1ccc(C(=O)N2CC[C@H]([NH+](C)C)C2)cc1Cl ZINC000171302963 367518749 /nfs/dbraw/zinc/51/87/49/367518749.db2.gz VQLWJKBNNYMERC-LBPRGKRZSA-N 1 0 266.772 2.425 10 0 CEAERO CN(CC(F)(F)F)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000171609371 367577530 /nfs/dbraw/zinc/57/75/30/367577530.db2.gz UJZYTIWYIWZCKD-LBPRGKRZSA-N 1 0 288.313 2.180 10 0 CEAERO C[C@H]1CN(CCOc2ccccc2Cl)C[C@H]1C[NH3+] ZINC000631842938 367584309 /nfs/dbraw/zinc/58/43/09/367584309.db2.gz HPQOQYZEZWQSMZ-NWDGAFQWSA-N 1 0 268.788 2.245 10 0 CEAERO CCc1noc([C@H](C)N2CC[NH+]([C@@H]3C=CCCC3)CC2)n1 ZINC000171746355 367608657 /nfs/dbraw/zinc/60/86/57/367608657.db2.gz DLWLITBFTHLFFE-UONOGXRCSA-N 1 0 290.411 2.419 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(Cl)nc1 ZINC000172134694 367680581 /nfs/dbraw/zinc/68/05/81/367680581.db2.gz ZDXCGIJXOSLHOB-ZYHUDNBSSA-N 1 0 294.786 2.435 10 0 CEAERO COCCN1CCN(C(=O)Nc2ccc(C)cc2)C[C@@H]1C ZINC000172273161 367707244 /nfs/dbraw/zinc/70/72/44/367707244.db2.gz JTMGWVMRTJDLCP-AWEZNQCLSA-N 1 0 291.395 2.179 10 0 CEAERO CC[C@H](O)C[NH+]1CCN([C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000172355398 367725281 /nfs/dbraw/zinc/72/52/81/367725281.db2.gz LMHLBUCYWBVBPY-OCCSQVGLSA-N 1 0 298.377 2.414 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nc2ccccc2[nH]1 ZINC000245750069 370867834 /nfs/dbraw/zinc/86/78/34/370867834.db2.gz NRIRJXGHYRTLJF-STQMWFEESA-N 1 0 270.380 2.231 10 0 CEAERO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000245857920 370880318 /nfs/dbraw/zinc/88/03/18/370880318.db2.gz NYOAIXMZKAQFFL-YCPHGPKFSA-N 1 0 290.407 2.191 10 0 CEAERO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccs1 ZINC000172604092 367786436 /nfs/dbraw/zinc/78/64/36/367786436.db2.gz HUFJMKBWYQYBJL-NXEZZACHSA-N 1 0 283.397 2.021 10 0 CEAERO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1cccs1 ZINC000172604096 367786687 /nfs/dbraw/zinc/78/66/87/367786687.db2.gz HUFJMKBWYQYBJL-ZJUUUORDSA-N 1 0 283.397 2.021 10 0 CEAERO CCOC(=O)c1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)o1 ZINC000245791427 370874119 /nfs/dbraw/zinc/87/41/19/370874119.db2.gz WDOGPPCXVINPIL-OLZOCXBDSA-N 1 0 292.379 2.125 10 0 CEAERO C[C@@H]([NH2+][C@@H](C)C(=O)NC[C@@H]1CCCO1)c1cccs1 ZINC000172870923 367831864 /nfs/dbraw/zinc/83/18/64/367831864.db2.gz DKYAFTAGBYBYID-WOPDTQHZSA-N 1 0 282.409 2.082 10 0 CEAERO C[C@@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1cccs1 ZINC000173422433 367909005 /nfs/dbraw/zinc/90/90/05/367909005.db2.gz XUKMWNRSQZCKMW-OLZOCXBDSA-N 1 0 291.420 2.465 10 0 CEAERO COC(C)(C)C[C@H](C)NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000173508509 367918627 /nfs/dbraw/zinc/91/86/27/367918627.db2.gz ULIDSOVSFYMXEV-MELADBBJSA-N 1 0 297.443 2.068 10 0 CEAERO CCCCCNC(=O)[C@H](C)N1CCC[C@@H]1c1cnn(C)c1 ZINC000173647484 367930641 /nfs/dbraw/zinc/93/06/41/367930641.db2.gz WPXXYZGIXJTKCG-DZGCQCFKSA-N 1 0 292.427 2.252 10 0 CEAERO CCOCCCCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1CC ZINC000174107771 367985070 /nfs/dbraw/zinc/98/50/70/367985070.db2.gz PIJBEGJYCKFATL-HUUCEWRRSA-N 1 0 297.443 2.071 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(OC)c1 ZINC000175047746 368092269 /nfs/dbraw/zinc/09/22/69/368092269.db2.gz LWXKWALMVFSOCR-HUUCEWRRSA-N 1 0 288.391 2.394 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cccnc1OC ZINC000176304409 368222424 /nfs/dbraw/zinc/22/24/24/368222424.db2.gz XMGWIOTZTRAQSO-LBPRGKRZSA-N 1 0 292.383 2.038 10 0 CEAERO Cn1c(C[NH+]2C[C@@H]3CCCC[C@H]3C2)nnc1C1CC1 ZINC000177538317 368270905 /nfs/dbraw/zinc/27/09/05/368270905.db2.gz NXIWHSDIYMBZGA-STQMWFEESA-N 1 0 260.385 2.315 10 0 CEAERO CCc1cc(C)c(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000178576918 368303900 /nfs/dbraw/zinc/30/39/00/368303900.db2.gz IJPAROIUEMMTCP-LBPRGKRZSA-N 1 0 262.353 2.071 10 0 CEAERO CCC[C@H](C)C[N@@H+]1CCN(CCOC)[C@H](CC)C1 ZINC000180087309 368367223 /nfs/dbraw/zinc/36/72/23/368367223.db2.gz LPOOEAJMYKERFJ-LSDHHAIUSA-N 1 0 256.434 2.465 10 0 CEAERO C[C@H]([NH2+]C[C@@H](O)COC(C)(C)C)c1cccc(O)c1 ZINC000181575345 368471809 /nfs/dbraw/zinc/47/18/09/368471809.db2.gz XPSRQPWIHNPVOL-SMDDNHRTSA-N 1 0 267.369 2.219 10 0 CEAERO C[C@@H]([NH2+]CC[C@H]1CCOC1=O)c1ccc2c(c1)OCCO2 ZINC000181752848 368492119 /nfs/dbraw/zinc/49/21/19/368492119.db2.gz XKFUANIUKDGTBQ-NEPJUHHUSA-N 1 0 291.347 2.062 10 0 CEAERO Cc1ccc(CCC[N@H+]2CCN(C[C@@H](C)O)[C@H](C)C2)cc1 ZINC000181815457 368497390 /nfs/dbraw/zinc/49/73/90/368497390.db2.gz GPZIPUAOCLVCQG-IAGOWNOFSA-N 1 0 290.451 2.315 10 0 CEAERO Cc1c(CN(CCC[NH3+])c2ccccc2F)cnn1C ZINC000346391830 368660515 /nfs/dbraw/zinc/66/05/15/368660515.db2.gz PJTLWIHXRGYLSL-UHFFFAOYSA-N 1 0 276.359 2.223 10 0 CEAERO C[C@@H]1CC[C@H](C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)O1 ZINC000246012856 370900159 /nfs/dbraw/zinc/90/01/59/370900159.db2.gz LGHVIRHECPQCGY-RBSFLKMASA-N 1 0 282.428 2.325 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)NCC2(OC)CCCCC2)C1 ZINC000184679546 368710895 /nfs/dbraw/zinc/71/08/95/368710895.db2.gz WZEATCHRPFXTOQ-AWEZNQCLSA-N 1 0 297.443 2.119 10 0 CEAERO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CC[C@@H](C)O1)CC(C)C ZINC000246129357 370913179 /nfs/dbraw/zinc/91/31/79/370913179.db2.gz ZKHQFEWUBBTDNM-QLFBSQMISA-N 1 0 284.444 2.427 10 0 CEAERO CCn1c(C)nnc1C[NH2+][C@@H](C)[C@H]1COc2ccccc21 ZINC000185575707 368825659 /nfs/dbraw/zinc/82/56/59/368825659.db2.gz LLRNFLWYFXCKHH-SMDDNHRTSA-N 1 0 286.379 2.261 10 0 CEAERO Cc1cccc2c1[nH+]cc(C)c2N(C)CC(C)(CO)CO ZINC000185356694 368795752 /nfs/dbraw/zinc/79/57/52/368795752.db2.gz IKANHWSXBVHGMR-UHFFFAOYSA-N 1 0 288.391 2.279 10 0 CEAERO CCC(C)(C)CCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634772269 368876907 /nfs/dbraw/zinc/87/69/07/368876907.db2.gz CVTYFDQDYYJTAX-WFASDCNBSA-N 1 0 252.402 2.319 10 0 CEAERO C[C@H]1CN(Cc2cc(Cl)cc3c2OCC3)C[C@H]1C[NH3+] ZINC000634999238 369032965 /nfs/dbraw/zinc/03/29/65/369032965.db2.gz RKNNJKRDAPQGGT-GXFFZTMASA-N 1 0 280.799 2.302 10 0 CEAERO CCC[C@@H](C(=O)N(C)CC1(O)CCCCCC1)[NH+](C)C ZINC000186940977 369071551 /nfs/dbraw/zinc/07/15/51/369071551.db2.gz CRLCOPYACSJPDQ-AWEZNQCLSA-N 1 0 284.444 2.260 10 0 CEAERO COc1cc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)ccc1F ZINC000187085894 369099291 /nfs/dbraw/zinc/09/92/91/369099291.db2.gz WVVGHAIPMXSBEM-LLVKDONJSA-N 1 0 281.331 2.002 10 0 CEAERO C/C=C\C[C@@H](CO)[NH2+]Cc1cnc2c(cnn2C(C)C)c1 ZINC000349803213 369404261 /nfs/dbraw/zinc/40/42/61/369404261.db2.gz QJOXQEQHEYTHDE-XVWMLYKFSA-N 1 0 288.395 2.429 10 0 CEAERO CC[C@@](C)(O)C[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000189069680 369450826 /nfs/dbraw/zinc/45/08/26/369450826.db2.gz VJJVFUCZDUCFNS-KDOFPFPSSA-N 1 0 269.410 2.017 10 0 CEAERO CC[C@](C)(O)C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000189207154 369475407 /nfs/dbraw/zinc/47/54/07/369475407.db2.gz LHMQQKUDJLOZMG-HNNXBMFYSA-N 1 0 263.381 2.131 10 0 CEAERO Cc1cccnc1[C@H](NC(=O)[C@H]1CC[C@@H]([NH3+])C1)C(C)C ZINC000246501767 370969957 /nfs/dbraw/zinc/96/99/57/370969957.db2.gz PYYTUZOCCVMEEE-BFHYXJOUSA-N 1 0 275.396 2.331 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC1(C2CC2)CC1 ZINC000246631503 370987959 /nfs/dbraw/zinc/98/79/59/370987959.db2.gz RJOWNBNTGHZOIH-CABCVRRESA-N 1 0 291.439 2.445 10 0 CEAERO CC[C@]1(CO)CCC[N@@H+]1CCN(C)Cc1ccc(F)cc1 ZINC000189645920 369552285 /nfs/dbraw/zinc/55/22/85/369552285.db2.gz GWIRNYWATBTHGP-QGZVFWFLSA-N 1 0 294.414 2.494 10 0 CEAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCOC(C)C ZINC000249716017 284166896 /nfs/dbraw/zinc/16/68/96/284166896.db2.gz ILBFQTBZZBDVIU-MJBXVCDLSA-N 1 0 269.385 2.218 10 0 CEAERO Cc1cncc(C[N@@H+]2CCCN(c3ccc(C)nn3)CC2)c1 ZINC000189871348 369573361 /nfs/dbraw/zinc/57/33/61/369573361.db2.gz OKHBNHVPGUNRRH-UHFFFAOYSA-N 1 0 297.406 2.201 10 0 CEAERO O=C1O[C@H](C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)CC12CCC2 ZINC000192075953 369770905 /nfs/dbraw/zinc/77/09/05/369770905.db2.gz URHJEEZENDTCRT-ZQIUZPCESA-N 1 0 293.407 2.099 10 0 CEAERO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CCOC(C)C ZINC000249716020 284189245 /nfs/dbraw/zinc/18/92/45/284189245.db2.gz ILBFQTBZZBDVIU-RDBSUJKOSA-N 1 0 269.385 2.218 10 0 CEAERO CCCCOC[C@H](O)C[N@H+](C)Cc1ccc(OC)cc1 ZINC000193248224 369911641 /nfs/dbraw/zinc/91/16/41/369911641.db2.gz ZKIZCBKJMQDUKT-OAHLLOKOSA-N 1 0 281.396 2.305 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1Cc2ccccc2O1 ZINC000193267558 369914689 /nfs/dbraw/zinc/91/46/89/369914689.db2.gz KUDNZBKGSSIAJR-ZBFHGGJFSA-N 1 0 290.407 2.083 10 0 CEAERO Cc1ccc(C[NH2+]C[C@H]2CN(C)CCO2)cc1Cl ZINC000193736533 369977700 /nfs/dbraw/zinc/97/77/00/369977700.db2.gz IIBJAOZFKGCIJY-ZDUSSCGKSA-N 1 0 268.788 2.069 10 0 CEAERO C[C@H](NC(=O)[C@@]1(C[NH3+])CCCOC1)c1cccc(Cl)c1 ZINC000637882927 370145642 /nfs/dbraw/zinc/14/56/42/370145642.db2.gz JPLNYKZNBARSGV-XHDPSFHLSA-N 1 0 296.798 2.273 10 0 CEAERO C[NH2+]CC1CCN(c2ncnc3c(C)csc32)CC1 ZINC000222334052 370253521 /nfs/dbraw/zinc/25/35/21/370253521.db2.gz CLZQJTPPEOVQQW-UHFFFAOYSA-N 1 0 276.409 2.436 10 0 CEAERO CC[NH2+][C@H](C)C(=O)N[C@H](C)c1ccc(C)c(F)c1 ZINC000638032795 370257000 /nfs/dbraw/zinc/25/70/00/370257000.db2.gz AXABAPRHBFTCGS-GHMZBOCLSA-N 1 0 252.333 2.309 10 0 CEAERO CCOC(=O)N1CCN[C@@H](c2ccc(Cl)cc2)C1 ZINC000222751301 370257397 /nfs/dbraw/zinc/25/73/97/370257397.db2.gz IAPUXNJSIHXSOE-GFCCVEGCSA-N 1 0 268.744 2.443 10 0 CEAERO CNc1cccc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000638087534 370288982 /nfs/dbraw/zinc/28/89/82/370288982.db2.gz SQMDJXKETGKKIM-OAHLLOKOSA-N 1 0 273.380 2.039 10 0 CEAERO OC[C@H]1CCCC[C@H]1[NH2+]Cc1ncc(Cl)s1 ZINC000225353362 370290232 /nfs/dbraw/zinc/29/02/32/370290232.db2.gz RUJFCBNJEFFTPK-RKDXNWHRSA-N 1 0 260.790 2.437 10 0 CEAERO COc1ccc(-c2ccnc(N3CCC[C@H]3C[NH3+])n2)cc1 ZINC000234998619 370553848 /nfs/dbraw/zinc/55/38/48/370553848.db2.gz FNKPWXCWZVDROA-ZDUSSCGKSA-N 1 0 284.363 2.080 10 0 CEAERO CCOC(=O)C1CCC(O)(C[N@@H+]2C[C@H](C)[C@H](C)C2)CC1 ZINC000233656728 370520831 /nfs/dbraw/zinc/52/08/31/370520831.db2.gz MSHXJIWKTDVVRU-KKNUOHPOSA-N 1 0 283.412 2.059 10 0 CEAERO CC[C@@H]([NH3+])CNc1nccc(C)c1Br ZINC000233893508 370526020 /nfs/dbraw/zinc/52/60/20/370526020.db2.gz SABDAKQTRWKICW-MRVPVSSYSA-N 1 0 258.163 2.302 10 0 CEAERO CCc1ncnc(N[C@H](C[NH3+])C2CCCC2)c1F ZINC000234200055 370530384 /nfs/dbraw/zinc/53/03/84/370530384.db2.gz BJQQKSWYPKVHTF-LLVKDONJSA-N 1 0 252.337 2.108 10 0 CEAERO C[C@@H]1CN(CCOc2cccc(Br)c2)C[C@@H]1[NH3+] ZINC000235368742 370563350 /nfs/dbraw/zinc/56/33/50/370563350.db2.gz KWOALOZTKIKJDO-MFKMUULPSA-N 1 0 299.212 2.107 10 0 CEAERO C[C@@H]1CN(C(=O)c2cccc3ccccc32)C[C@H]1[NH3+] ZINC000235369094 370563834 /nfs/dbraw/zinc/56/38/34/370563834.db2.gz ONDRELBUCQPBGQ-IAQYHMDHSA-N 1 0 254.333 2.259 10 0 CEAERO C[C@@]1(C[NH3+])CCN(c2ncccc2Br)C1 ZINC000235441897 370565984 /nfs/dbraw/zinc/56/59/84/370565984.db2.gz HCISSXILVWMWEV-NSHDSACASA-N 1 0 270.174 2.019 10 0 CEAERO C[C@H]1CN(Cc2ncc(-c3ccccc3)o2)C[C@@H]1[NH3+] ZINC000235732503 370575926 /nfs/dbraw/zinc/57/59/26/370575926.db2.gz HLXOXGZPPKFGJH-AAEUAGOBSA-N 1 0 257.337 2.121 10 0 CEAERO Clc1cc(Br)cnc1N1CCC[NH2+]CC1 ZINC000236049106 370583233 /nfs/dbraw/zinc/58/32/33/370583233.db2.gz ADEMDYOTDJKNSU-UHFFFAOYSA-N 1 0 290.592 2.297 10 0 CEAERO O=C(NC[C@@H]1CC[NH2+]C1)c1cc2cc(Cl)ccc2[nH]1 ZINC000211126529 541816619 /nfs/dbraw/zinc/81/66/19/541816619.db2.gz BARZOGIWSIHLMW-SECBINFHSA-N 1 0 277.755 2.161 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc2ccccc2[nH]1 ZINC000246801483 371012197 /nfs/dbraw/zinc/01/21/97/371012197.db2.gz BUVVPNOBJFYXIM-JSGCOSHPSA-N 1 0 283.375 2.477 10 0 CEAERO CSc1ccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)o1 ZINC000246795443 371012524 /nfs/dbraw/zinc/01/25/24/371012524.db2.gz BRDVGCCXTVGUPX-MNOVXSKESA-N 1 0 280.393 2.310 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CC=CCC1 ZINC000247029948 371050820 /nfs/dbraw/zinc/05/08/20/371050820.db2.gz GHLNWMMTRLHTEV-RBSFLKMASA-N 1 0 277.412 2.221 10 0 CEAERO C[C@H](NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)C1CCCC1 ZINC000246994556 371043529 /nfs/dbraw/zinc/04/35/29/371043529.db2.gz ONPPFCCEBDKXAQ-YDHLFZDLSA-N 1 0 279.428 2.443 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C[C@@H](O)Cc1ccccc1 ZINC000247811732 371142802 /nfs/dbraw/zinc/14/28/02/371142802.db2.gz VCUIVXBBMQFGMS-IRXDYDNUSA-N 1 0 276.424 2.006 10 0 CEAERO Cc1noc(C)c1[C@H](C)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247462788 371109963 /nfs/dbraw/zinc/10/99/63/371109963.db2.gz QZCSMYXUALQCLB-SUNKGSAMSA-N 1 0 291.395 2.090 10 0 CEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)COc2ccccc2F)C1 ZINC000247469456 371112062 /nfs/dbraw/zinc/11/20/62/371112062.db2.gz VDSINUNPXWGLRR-GXTWGEPZSA-N 1 0 294.370 2.049 10 0 CEAERO CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H](C)C(C)C ZINC000247509111 371118719 /nfs/dbraw/zinc/11/87/19/371118719.db2.gz PFBAIEASUDBECT-OLZOCXBDSA-N 1 0 255.406 2.205 10 0 CEAERO Brc1cncc(CN2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000247533847 371121145 /nfs/dbraw/zinc/12/11/45/371121145.db2.gz XTLCJMNIKZINJY-ZDUSSCGKSA-N 1 0 296.212 2.124 10 0 CEAERO C[C@H]([NH2+][C@H](CN(C)C)c1ccccc1)[C@H]1CCOC1 ZINC000248061298 371158671 /nfs/dbraw/zinc/15/86/71/371158671.db2.gz YOACEURTUHMIIS-CWRNSKLLSA-N 1 0 262.397 2.304 10 0 CEAERO CCOC(=O)CCCC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248169515 371166216 /nfs/dbraw/zinc/16/62/16/371166216.db2.gz ULTGLICQFBWZFM-GOEBONIOSA-N 1 0 283.412 2.347 10 0 CEAERO C[C@@H](NC(=O)[C@H]1CC[C@@H](C)O1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248409967 371188455 /nfs/dbraw/zinc/18/84/55/371188455.db2.gz XNLBOCGALYJNGH-IXYNUQLISA-N 1 0 294.439 2.323 10 0 CEAERO CO[C@H](C)C[N@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000248440956 371195320 /nfs/dbraw/zinc/19/53/20/371195320.db2.gz UXPDKUZOUFGMMF-ZIAGYGMSSA-N 1 0 298.452 2.088 10 0 CEAERO 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NSKYLHOCGZSWID-XCBNKYQSSA-N 1 0 291.178 2.144 10 0 CEAERO COC[C@H]([NH3+])C(=O)Nc1ccc2c(ccn2CC(C)C)c1 ZINC000262312875 371850552 /nfs/dbraw/zinc/85/05/52/371850552.db2.gz PINIECQNSLGEHR-AWEZNQCLSA-N 1 0 289.379 2.210 10 0 CEAERO COC[C@H]([NH3+])C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000262320330 371851252 /nfs/dbraw/zinc/85/12/52/371851252.db2.gz QGQDDDYVGCWVSW-ZDUSSCGKSA-N 1 0 296.342 2.059 10 0 CEAERO COC[C@H]([NH3+])C(=O)N(CC1CCC1)[C@@H](C)c1ccccc1 ZINC000262354459 371853952 /nfs/dbraw/zinc/85/39/52/371853952.db2.gz GREKZTIIYQQPTG-BBRMVZONSA-N 1 0 290.407 2.350 10 0 CEAERO COC[C@@H]([NH3+])C(=O)N(CCc1ccccc1)c1ccccc1 ZINC000262540032 371874335 /nfs/dbraw/zinc/87/43/35/371874335.db2.gz NDKVGZAHIKVPHF-QGZVFWFLSA-N 1 0 298.386 2.236 10 0 CEAERO COC[C@@H]([NH3+])C(=O)NCc1ccc(-c2cccc(C)c2)cc1 ZINC000262232985 371840360 /nfs/dbraw/zinc/84/03/60/371840360.db2.gz GZHFMNWHSHWLBF-QGZVFWFLSA-N 1 0 298.386 2.252 10 0 CEAERO CCCCS[C@H](C)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000262653770 371891775 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282.428 2.088 10 0 CEAERO CCC(CC)(CC)CNC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000643736950 373247160 /nfs/dbraw/zinc/24/71/60/373247160.db2.gz RSHZYIGCPKXULL-HNNXBMFYSA-N 1 0 270.417 2.088 10 0 CEAERO Cc1ccccc1[C@H](C)NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000644089399 373401151 /nfs/dbraw/zinc/40/11/51/373401151.db2.gz IWYWKAGPQGSRHA-AAEUAGOBSA-N 1 0 282.334 2.417 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N(CC)CCC(F)(F)F ZINC000645815067 374204012 /nfs/dbraw/zinc/20/40/12/374204012.db2.gz YYDRCDBHLDBGRD-RKDXNWHRSA-N 1 0 254.296 2.161 10 0 CEAERO CCc1cc2c(ncnc2N(C)C2CC([NH3+])C2)s1 ZINC000384835205 375219431 /nfs/dbraw/zinc/21/94/31/375219431.db2.gz HQUUSQRFFJTIIP-UHFFFAOYSA-N 1 0 262.382 2.180 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)N[C@@H]1CC12CCCCC2 ZINC000387250388 375273532 /nfs/dbraw/zinc/27/35/32/375273532.db2.gz KBDQJYATALMWEH-QWHCGFSZSA-N 1 0 250.386 2.215 10 0 CEAERO O=C1CC[C@@H]([NH2+]C2CCC(C(F)(F)F)CC2)CCN1 ZINC000396689407 375335852 /nfs/dbraw/zinc/33/58/52/375335852.db2.gz OQPXXANGPPYNTO-VQXHTEKXSA-N 1 0 278.318 2.366 10 0 CEAERO Cc1scc(CNC(=O)[C@H]2CCC[NH2+][C@H]2C)c1C ZINC000399777551 375367550 /nfs/dbraw/zinc/36/75/50/375367550.db2.gz PMXITFRAPBBYKH-GWCFXTLKSA-N 1 0 266.410 2.369 10 0 CEAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000282367680 375466821 /nfs/dbraw/zinc/46/68/21/375466821.db2.gz NQXFHIOERFBVKA-KOLCDFICSA-N 1 0 281.425 2.197 10 0 CEAERO COc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)cc1Cl ZINC000282187983 375423122 /nfs/dbraw/zinc/42/31/22/375423122.db2.gz BTKAMQDNNCENSI-JOYOIKCWSA-N 1 0 282.771 2.105 10 0 CEAERO CCCOc1cccc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)c1 ZINC000282205206 375427747 /nfs/dbraw/zinc/42/77/47/375427747.db2.gz CXJPLZNZTNHFQH-WFASDCNBSA-N 1 0 276.380 2.232 10 0 CEAERO Cc1cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)c(C)s1 ZINC000282301669 375453687 /nfs/dbraw/zinc/45/36/87/375453687.db2.gz JULNMGPMHWRWHT-JOYOIKCWSA-N 1 0 252.383 2.122 10 0 CEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000282389897 375472455 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ZINC000290211620 376688407 /nfs/dbraw/zinc/68/84/07/376688407.db2.gz HIRGZERYGMGGPM-BVIHXZOGSA-N 1 0 258.365 2.492 10 0 CEAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCCC[C@H]1c1nccs1 ZINC000563077741 377086346 /nfs/dbraw/zinc/08/63/46/377086346.db2.gz PKBNLPADJHDVFU-SRVKXCTJSA-N 1 0 279.409 2.195 10 0 CEAERO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000563077733 377086763 /nfs/dbraw/zinc/08/67/63/377086763.db2.gz PKBNLPADJHDVFU-QJPTWQEYSA-N 1 0 279.409 2.195 10 0 CEAERO CC(C)(C)OC[C@@H](O)C[NH+]1CCC(C(F)(F)F)CC1 ZINC000174191329 249326351 /nfs/dbraw/zinc/32/63/51/249326351.db2.gz JSEYLUOLHSZCKH-NSHDSACASA-N 1 0 283.334 2.437 10 0 CEAERO CNC(=O)[C@@H]1C[C@H]([NH2+]C2CCCCCCC2)CN1C(C)C ZINC000299772710 379135346 /nfs/dbraw/zinc/13/53/46/379135346.db2.gz BETGAWKNRRNANJ-HOTGVXAUSA-N 1 0 295.471 2.286 10 0 CEAERO C[C@](O)(C[N@@H+]1CCC2(C1)CCOCC2)c1ccccc1 ZINC000266574958 190267869 /nfs/dbraw/zinc/26/78/69/190267869.db2.gz QAWXZAQGTHDJEN-INIZCTEOSA-N 1 0 275.392 2.397 10 0 CEAERO O=C(NCc1c(Cl)cccc1Cl)[C@H]1CC[NH2+]C1 ZINC000516770715 379311932 /nfs/dbraw/zinc/31/19/32/379311932.db2.gz KBSMTXUNGZTLBG-QMMMGPOBSA-N 1 0 273.163 2.219 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)N2CCOCC2)C1(CC)CC ZINC000181437665 542273226 /nfs/dbraw/zinc/27/32/26/542273226.db2.gz RBZUZNSXCZGNCR-BZUAXINKSA-N 1 0 298.471 2.281 10 0 CEAERO CN(CC[N@@H+]1CCCC[C@@H]1CCO)Cc1ccc(F)cc1 ZINC000181683352 542275119 /nfs/dbraw/zinc/27/51/19/542275119.db2.gz SZCRBZUHYXBZDS-QGZVFWFLSA-N 1 0 294.414 2.494 10 0 CEAERO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC[C@H](C)O1)CC(C)C ZINC000154620984 284820702 /nfs/dbraw/zinc/82/07/02/284820702.db2.gz ZKHQFEWUBBTDNM-KKUMJFAQSA-N 1 0 284.444 2.427 10 0 CEAERO Cc1cccnc1/C=C\C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000492574241 380608846 /nfs/dbraw/zinc/60/88/46/380608846.db2.gz CVERJRSEXSOQLN-LOWICHSDSA-N 1 0 287.407 2.248 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)/C=C\c2cccc(O)c2)C1 ZINC000492746803 380674832 /nfs/dbraw/zinc/67/48/32/380674832.db2.gz BUOLFRJGJMQEQZ-CKXPSTMWSA-N 1 0 274.364 2.006 10 0 CEAERO COc1cc(OC)c(C[NH2+][C@H]2CCC[C@@H](O)C2)c(OC)c1 ZINC000037163957 542278645 /nfs/dbraw/zinc/27/86/45/542278645.db2.gz BOAZBJFOMVFBNQ-NWDGAFQWSA-N 1 0 295.379 2.106 10 0 CEAERO CCS[C@H]1CCC[C@@H]1[NH2+]Cc1nnc(CC)n1C ZINC000348477025 218633243 /nfs/dbraw/zinc/63/32/43/218633243.db2.gz HWLYFUNDIBRYLL-QWRGUYRKSA-N 1 0 268.430 2.141 10 0 CEAERO C[C@@H]([NH2+]CC(=O)N(C)CC1CCCCC1)[C@@H]1CCCO1 ZINC000183109726 542287492 /nfs/dbraw/zinc/28/74/92/542287492.db2.gz PDQLTLPHUDSPMI-HIFRSBDPSA-N 1 0 282.428 2.182 10 0 CEAERO Cc1nc(C)c(NC(=O)N2CC[C@H]([NH3+])C(C)(C)C2)s1 ZINC000334855769 207194208 /nfs/dbraw/zinc/19/42/08/207194208.db2.gz WBJMTCSTTMYYEX-JTQLQIEISA-N 1 0 282.413 2.351 10 0 CEAERO CNC(=O)[C@H]([NH2+]CCOc1ccc(SC)cc1)C(C)C ZINC000183657581 542293719 /nfs/dbraw/zinc/29/37/19/542293719.db2.gz SQEZBKJUNLMDGK-CQSZACIVSA-N 1 0 296.436 2.148 10 0 CEAERO C[C@@H]1CCC[C@@H](C(=O)Nc2ccc3c(c2)OCCCO3)[NH2+]1 ZINC000019432112 184534544 /nfs/dbraw/zinc/53/45/44/184534544.db2.gz HQKAFAVKNUXKNL-YPMHNXCESA-N 1 0 290.363 2.317 10 0 CEAERO CC(C)[N@H+](C)CCCCNC(=O)CCc1cccc(N)c1 ZINC000041684721 184552285 /nfs/dbraw/zinc/55/22/85/184552285.db2.gz LXFPGGHCOZCBAH-UHFFFAOYSA-N 1 0 291.439 2.438 10 0 CEAERO C[C@H](O)c1cccc(NC(=O)NCCCC[NH+](C)C)c1 ZINC000041685212 184552900 /nfs/dbraw/zinc/55/29/00/184552900.db2.gz PTXRCLULJRJUNV-LBPRGKRZSA-N 1 0 279.384 2.203 10 0 CEAERO Cc1ccc(SCC(=O)N2CCC[NH2+]CC2)cc1C ZINC000043402753 184557221 /nfs/dbraw/zinc/55/72/21/184557221.db2.gz RUTLYNBERVPWNU-UHFFFAOYSA-N 1 0 278.421 2.217 10 0 CEAERO CCC(=O)Nc1cccc(NC(=O)[C@H]([NH3+])CC)c1C ZINC000037044768 184539205 /nfs/dbraw/zinc/53/92/05/184539205.db2.gz HNHYXXZXLKJGQH-SNVBAGLBSA-N 1 0 263.341 2.019 10 0 CEAERO Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@H](C)[C@@H]2CCCO2)c1 ZINC000037889753 184542714 /nfs/dbraw/zinc/54/27/14/184542714.db2.gz ASLIHBWZCPVAMI-INMHGKMJSA-N 1 0 293.407 2.200 10 0 CEAERO C[C@@H]([NH2+]C[C@H](O)c1cccc(F)c1)[C@@H]1CCCO1 ZINC000037889948 184543402 /nfs/dbraw/zinc/54/34/02/184543402.db2.gz BYBVNJSGRZSYHC-SWHYSGLUSA-N 1 0 253.317 2.016 10 0 CEAERO CC(C)OC(=O)[C@]1(c2ccccc2)C[C@H]1C[NH+](C)C ZINC000039425351 184547301 /nfs/dbraw/zinc/54/73/01/184547301.db2.gz CSRPYNBEDKFUTC-HOCLYGCPSA-N 1 0 261.365 2.458 10 0 CEAERO CCCO[C@@H]1CCCN(C(=[NH2+])NC2CCCC2)C1 ZINC000052046053 184566883 /nfs/dbraw/zinc/56/68/83/184566883.db2.gz ARTHXKUZLAZHQM-CYBMUJFWSA-N 1 0 253.390 2.344 10 0 CEAERO CCC[C@H](C)NC(=O)[C@H](C)OC1(C[NH3+])CCCCC1 ZINC000086711086 184610382 /nfs/dbraw/zinc/61/03/82/184610382.db2.gz ZFXCJXLWRJEISF-STQMWFEESA-N 1 0 270.417 2.358 10 0 CEAERO C[NH2+][C@H](CC[C@@H]1CCCO1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000087213201 184612987 /nfs/dbraw/zinc/61/29/87/184612987.db2.gz VNKGMNYDWWSMMD-NWDGAFQWSA-N 1 0 275.352 2.076 10 0 CEAERO Cc1nsc(N2CCCC[C@@H]2C[NH2+]CC(C)C)n1 ZINC000087632899 184613049 /nfs/dbraw/zinc/61/30/49/184613049.db2.gz ANLOOGDOCFQMKC-GFCCVEGCSA-N 1 0 268.430 2.451 10 0 CEAERO CC[NH2+]Cc1cccc(CS(=O)(=O)N(C)[C@H](C)CC)c1 ZINC000088949761 184615445 /nfs/dbraw/zinc/61/54/45/184615445.db2.gz UTWQPMYKUCARKE-CYBMUJFWSA-N 1 0 298.452 2.356 10 0 CEAERO CC1(C)C([NH2+]C[C@@H](O)COc2ccccc2)C1(C)C ZINC000092817109 184628648 /nfs/dbraw/zinc/62/86/48/184628648.db2.gz ZCVYYQMPEFRIQM-GFCCVEGCSA-N 1 0 263.381 2.451 10 0 CEAERO COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CN3CCC1CC3)CC2 ZINC000092835400 184630268 /nfs/dbraw/zinc/63/02/68/184630268.db2.gz DGAGBHDXMISAJG-DLBZAZTESA-N 1 0 272.392 2.366 10 0 CEAERO COc1cccc([C@@H](SC2COC2)[C@H](C)[NH3+])c1 ZINC000092711191 184622373 /nfs/dbraw/zinc/62/23/73/184622373.db2.gz IBRDOAJQIMUQBY-ZANVPECISA-N 1 0 253.367 2.216 10 0 CEAERO C[NH2+]C[C@@H]1CCO[C@@H]1c1cc(OC)c(OC)cc1OC ZINC000092862799 184633214 /nfs/dbraw/zinc/63/32/14/184633214.db2.gz UBXSDADUPPBPSB-BONVTDFDSA-N 1 0 281.352 2.009 10 0 CEAERO CC[NH2+]C[C@H]1CCO[C@@H]1c1c(OC)cc(OC)cc1OC ZINC000092863577 184633341 /nfs/dbraw/zinc/63/33/41/184633341.db2.gz AIQORKVIEMDPAM-BZNIZROVSA-N 1 0 295.379 2.400 10 0 CEAERO CCn1ncnc1CC1(c2ccccc2Cl)C[NH2+]C1 ZINC000093196756 184654664 /nfs/dbraw/zinc/65/46/64/184654664.db2.gz CJKVSJIOXCOMAB-UHFFFAOYSA-N 1 0 276.771 2.035 10 0 CEAERO O=S1(=O)C[C@@H](C2(c3ccccc3)C[NH2+]C2)c2ccccc21 ZINC000093195956 184654816 /nfs/dbraw/zinc/65/48/16/184654816.db2.gz YQGGMFSDPZFBOR-OAHLLOKOSA-N 1 0 299.395 2.099 10 0 CEAERO [NH3+][C@@H]1CC[C@H](Nc2cccc(Cn3cccn3)c2)C1 ZINC000093207213 184655682 /nfs/dbraw/zinc/65/56/82/184655682.db2.gz MIDQSXGVOOHGIN-HIFRSBDPSA-N 1 0 256.353 2.223 10 0 CEAERO COCC[NH2+]C[C@H](CCOCCOC)c1cccc(C)c1 ZINC000093126429 184650793 /nfs/dbraw/zinc/65/07/93/184650793.db2.gz XWNTVGYNJFZDML-KRWDZBQOSA-N 1 0 295.423 2.368 10 0 CEAERO Cc1cccc([C@@H]2C[NH2+]CC[C@@]23CCCS(=O)(=O)C3)c1 ZINC000093143294 184651356 /nfs/dbraw/zinc/65/13/56/184651356.db2.gz YRAWDHNLHVTHGV-JKSUJKDBSA-N 1 0 293.432 2.267 10 0 CEAERO CC[NH2+]C[C@@H](Cc1ncnn1C)c1ccc(Cl)cc1 ZINC000093147755 184652200 /nfs/dbraw/zinc/65/22/00/184652200.db2.gz GTQWYQZOAIEGKG-GFCCVEGCSA-N 1 0 278.787 2.404 10 0 CEAERO Cn1cnnc1-c1ccc(N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000093211933 184656194 /nfs/dbraw/zinc/65/61/94/184656194.db2.gz FQXBSLFSUWCYJH-GXTWGEPZSA-N 1 0 271.368 2.164 10 0 CEAERO CC1(C)CN(C(=O)c2cc(F)c(F)cc2F)CC[C@H]1[NH3+] ZINC000335049965 207544082 /nfs/dbraw/zinc/54/40/82/207544082.db2.gz BBWJOYHJRRWBON-GFCCVEGCSA-N 1 0 286.297 2.303 10 0 CEAERO COc1ccc(OC)c([C@H](C)N[C@@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000400707351 532986490 /nfs/dbraw/zinc/98/64/90/532986490.db2.gz LHYITHGBGGIEJL-AVGNSLFASA-N 1 0 278.396 2.352 10 0 CEAERO COCCN1CC[N@H+](C[C@@H]2CCC[C@@H](C)C2)C[C@@H]1C ZINC000245578244 285050134 /nfs/dbraw/zinc/05/01/34/285050134.db2.gz AGVMUBKMCQQILH-OWCLPIDISA-N 1 0 268.445 2.465 10 0 CEAERO O=C1NCCC[C@H]1[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000050395260 296371128 /nfs/dbraw/zinc/37/11/28/296371128.db2.gz GPSYHHRYOYQDBG-NWDGAFQWSA-N 1 0 280.368 2.231 10 0 CEAERO O=C(NC[C@H]1CC[NH2+]C1)c1cc(Cl)c2ccccc2n1 ZINC000335465574 208514360 /nfs/dbraw/zinc/51/43/60/208514360.db2.gz WFUNIDLLABQVHI-JTQLQIEISA-N 1 0 289.766 2.228 10 0 CEAERO CCN1C(=[NH2+])NC[C@]1(C)c1ccc(OC(F)F)cc1 ZINC000093357725 184667736 /nfs/dbraw/zinc/66/77/36/184667736.db2.gz DHCRYGQBSCEWPI-CYBMUJFWSA-N 1 0 269.295 2.153 10 0 CEAERO COc1ccccc1C[C@]1(C)CNC(=[NH2+])N1CC1CC1 ZINC000093393834 184670160 /nfs/dbraw/zinc/67/01/60/184670160.db2.gz QZVQBSJSHQQRPW-MRXNPFEDSA-N 1 0 273.380 2.037 10 0 CEAERO CC(C)[C@@H]1C[C@]2(C[NH+]=C(N)N2C2CCCC2)CCO1 ZINC000093392082 184670688 /nfs/dbraw/zinc/67/06/88/184670688.db2.gz CGLZMYAXIIVYDF-ZFWWWQNUSA-N 1 0 265.401 2.133 10 0 CEAERO C[C@]1(c2cccnc2)CNC(=[NH2+])N1Cc1cccs1 ZINC000093393296 184670731 /nfs/dbraw/zinc/67/07/31/184670731.db2.gz MSLVDXJVEOYMKS-CQSZACIVSA-N 1 0 272.377 2.189 10 0 CEAERO [NH2+]=C1NC[C@@H](c2cccc(O)c2)N1Cc1cccs1 ZINC000093392421 184670818 /nfs/dbraw/zinc/67/08/18/184670818.db2.gz XLZVRISUBYFALV-ZDUSSCGKSA-N 1 0 273.361 2.325 10 0 CEAERO CN(Cc1cscn1)c1cccc(F)c1C[NH3+] ZINC000093395388 184671321 /nfs/dbraw/zinc/67/13/21/184671321.db2.gz ICRWTMOXWLPWRN-UHFFFAOYSA-N 1 0 251.330 2.377 10 0 CEAERO CCCS(=O)(=O)[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CC ZINC000081941691 177904369 /nfs/dbraw/zinc/90/43/69/177904369.db2.gz HOAKFQPGRAJMLJ-VXGBXAGGSA-N 1 0 261.431 2.368 10 0 CEAERO CCC[NH2+][C@H]1c2ccccc2C[C@H]1S(=O)(=O)CCC ZINC000081939524 177903716 /nfs/dbraw/zinc/90/37/16/177903716.db2.gz WYEHYQYSUMMMOI-CABCVRRESA-N 1 0 281.421 2.477 10 0 CEAERO CCc1ccc([C@H]([NH3+])CS(=O)(=O)[C@H](C)CC)cc1 ZINC000081937853 177903336 /nfs/dbraw/zinc/90/33/36/177903336.db2.gz WDUBVMKELLMPTC-BXUZGUMPSA-N 1 0 269.410 2.462 10 0 CEAERO [NH3+][C@@H]1CCOC[C@@H]1Sc1ncccc1Br ZINC000081897482 177880539 /nfs/dbraw/zinc/88/05/39/177880539.db2.gz UCRDQYJRJVBBOI-BDAKNGLRSA-N 1 0 289.198 2.052 10 0 CEAERO COc1ccc([C@@H]([NH3+])CSc2ncccn2)cc1 ZINC000081881988 177876540 /nfs/dbraw/zinc/87/65/40/177876540.db2.gz OLMSMZZQWOGGQX-LBPRGKRZSA-N 1 0 261.350 2.277 10 0 CEAERO [NH3+][C@H]1c2ccccc2CC[C@H]1Sc1ncnc2[nH]cnc21 ZINC000081876598 177871133 /nfs/dbraw/zinc/87/11/33/177871133.db2.gz XNEHGYNITKCDOV-NEPJUHHUSA-N 1 0 297.387 2.460 10 0 CEAERO CC[C@@H](SCC(=O)OC)[C@H]([NH3+])c1ccccc1 ZINC000081794109 177861336 /nfs/dbraw/zinc/86/13/36/177861336.db2.gz DGJOGOCCDVMUSS-DGCLKSJQSA-N 1 0 253.367 2.371 10 0 CEAERO CCC[NH2+][C@H]1c2ccccc2C[C@@H]1SCCO ZINC000081822124 177865357 /nfs/dbraw/zinc/86/53/57/177865357.db2.gz ATDGZPVJWQVKSS-KBPBESRZSA-N 1 0 251.395 2.378 10 0 CEAERO CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1SCCS(C)(=O)=O ZINC000081769028 177856091 /nfs/dbraw/zinc/85/60/91/177856091.db2.gz QBQXMXIDDJNNDP-AGIUHOORSA-N 1 0 293.498 2.321 10 0 CEAERO CC[NH2+][C@@H]1CCCCCC[C@@H]1SCCS(C)(=O)=O ZINC000081768575 177856144 /nfs/dbraw/zinc/85/61/44/177856144.db2.gz GXJRULGUNNTLEI-OLZOCXBDSA-N 1 0 293.498 2.465 10 0 CEAERO O=C([C@H]1CCCCC[NH2+]1)N(CC(F)(F)F)C1CC1 ZINC000080999265 177752723 /nfs/dbraw/zinc/75/27/23/177752723.db2.gz CWTOHDVQXSAGGW-SNVBAGLBSA-N 1 0 264.291 2.072 10 0 CEAERO CC(C)[NH+](CCCNC(=O)N[C@H]1C[C@@H]1C)C(C)C ZINC000080729867 177695958 /nfs/dbraw/zinc/69/59/58/177695958.db2.gz QQGPPSSUTGALCK-STQMWFEESA-N 1 0 255.406 2.203 10 0 CEAERO CCOC(=O)C[C@]1([NH+]2CCCCCC2)CN2CCC1CC2 ZINC000080685671 177691190 /nfs/dbraw/zinc/69/11/90/177691190.db2.gz MNAHDVHGCHQJFF-KRWDZBQOSA-N 1 0 294.439 2.280 10 0 CEAERO CC[C@]1(C(=O)N(CC2CC2)C2CC2)CCC[NH2+]C1 ZINC000080367559 177646101 /nfs/dbraw/zinc/64/61/01/177646101.db2.gz DYUJOYUEVIIJAO-HNNXBMFYSA-N 1 0 250.386 2.167 10 0 CEAERO CCC[C@]1(C(=O)N[C@H](C)c2nccs2)CC[NH2+]C1 ZINC000080270292 177634918 /nfs/dbraw/zinc/63/49/18/177634918.db2.gz RNIWAPDWXXWMCY-MFKMUULPSA-N 1 0 267.398 2.100 10 0 CEAERO C[C@H](NC(=O)CC[C@H]1CCCC[NH2+]1)c1nccs1 ZINC000080270776 177634573 /nfs/dbraw/zinc/63/45/73/177634573.db2.gz OZNLVKRYIBCBTJ-WDEREUQCSA-N 1 0 267.398 2.243 10 0 CEAERO Cc1ccc(C[C@H](C)n2nnnc2C[NH2+]C(C)C)s1 ZINC000080253258 177632105 /nfs/dbraw/zinc/63/21/05/177632105.db2.gz MALWRTVAAOFZCS-JTQLQIEISA-N 1 0 279.413 2.345 10 0 CEAERO CC[NH2+][C@]1(C(N)=O)CC[C@H](SCc2ccccc2)C1 ZINC000093849613 184732566 /nfs/dbraw/zinc/73/25/66/184732566.db2.gz PREBDGITWPLGEP-DZGCQCFKSA-N 1 0 278.421 2.306 10 0 CEAERO CC(C)(Cn1ccc2c1CC(C)(C)C[C@H]2[NH3+])S(C)(=O)=O ZINC000093525369 184687640 /nfs/dbraw/zinc/68/76/40/184687640.db2.gz BSNJTRFCQVSDQL-GFCCVEGCSA-N 1 0 298.452 2.284 10 0 CEAERO C[NH2+][C@H]1CCC[C@@H]1CCn1ncc(=O)c2ccccc21 ZINC000093556900 184691370 /nfs/dbraw/zinc/69/13/70/184691370.db2.gz NQXXQQLEXKRAOX-OCCSQVGLSA-N 1 0 271.364 2.175 10 0 CEAERO CCC[NH2+][C@]1(C(=O)[O-])CCC[C@H]1CC[NH+]1CCCCC1 ZINC000093584496 184693092 /nfs/dbraw/zinc/69/30/92/184693092.db2.gz KGECXYAZCBVEEY-GOEBONIOSA-N 1 0 282.428 2.486 10 0 CEAERO C[NH2+][C@]1(CO)CCC[C@@H]1CCN1CCc2ccccc21 ZINC000093615886 184696077 /nfs/dbraw/zinc/69/60/77/184696077.db2.gz PBIYBZXLZMDWDL-WBVHZDCISA-N 1 0 274.408 2.190 10 0 CEAERO OC[C@@]1([NH2+]C2CC2)CCC[C@@H]1CCOCC1CCOCC1 ZINC000093619363 184697008 /nfs/dbraw/zinc/69/70/08/184697008.db2.gz YQHQDZMNEZKVEJ-WBVHZDCISA-N 1 0 297.439 2.103 10 0 CEAERO CCC[NH2+][C@]1(CO)CCC[C@H]1CCOC1CCOCC1 ZINC000093619687 184697267 /nfs/dbraw/zinc/69/72/67/184697267.db2.gz JJSPKZCEXZQVSL-HOCLYGCPSA-N 1 0 285.428 2.103 10 0 CEAERO C[NH2+][C@@H]1CCC[C@@H]1CCS(=O)(=O)c1ccccc1F ZINC000093622951 184697951 /nfs/dbraw/zinc/69/79/51/184697951.db2.gz JCMZGYPTBMAJMV-DGCLKSJQSA-N 1 0 285.384 2.378 10 0 CEAERO CC[NH2+][C@]1(C(N)=O)CCC[C@H]1CCOc1ccc(F)cc1 ZINC000093624957 184698190 /nfs/dbraw/zinc/69/81/90/184698190.db2.gz UZFFQILHIZSFSC-BLLLJJGKSA-N 1 0 294.370 2.228 10 0 CEAERO CC[NH2+][C@@]1(C(N)=O)CCC[C@@H]1CCSC(C)C ZINC000093629777 184699004 /nfs/dbraw/zinc/69/90/04/184699004.db2.gz XFZBKBVXECUVHO-YPMHNXCESA-N 1 0 258.431 2.152 10 0 CEAERO CCC[C@]1(c2nc([C@H](C)OC)no2)CCC[NH2+]C1 ZINC000093689277 184706834 /nfs/dbraw/zinc/70/68/34/184706834.db2.gz MPBXUAIFHPZQEX-GWCFXTLKSA-N 1 0 253.346 2.198 10 0 CEAERO CCCCC[C@H](C)[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093696512 184707268 /nfs/dbraw/zinc/70/72/68/184707268.db2.gz QWQKYWWCTDKFIL-KBPBESRZSA-N 1 0 290.473 2.216 10 0 CEAERO CCN(CC1CC[NH2+]CC1)C(=O)Cc1cccc(OC)c1 ZINC000094022307 184750417 /nfs/dbraw/zinc/75/04/17/184750417.db2.gz LQCABZSEYUMCLT-UHFFFAOYSA-N 1 0 290.407 2.086 10 0 CEAERO [NH3+]Cc1cccc(CNC(=O)c2ccc(F)c(F)c2F)c1 ZINC000094183442 184760238 /nfs/dbraw/zinc/76/02/38/184760238.db2.gz NDXDVMNIJMKICF-UHFFFAOYSA-N 1 0 294.276 2.493 10 0 CEAERO CCC[NH2+][C@@H]1CCN(CCc2ccccc2C)C1=O ZINC000094184619 184760409 /nfs/dbraw/zinc/76/04/09/184760409.db2.gz BHXSUVBESPZDGJ-OAHLLOKOSA-N 1 0 260.381 2.138 10 0 CEAERO Cc1noc(C)c1COc1ccc(C[C@@H](C)[NH3+])nc1 ZINC000094215448 184763895 /nfs/dbraw/zinc/76/38/95/184763895.db2.gz OARMYUZZJGHPBN-SECBINFHSA-N 1 0 261.325 2.155 10 0 CEAERO Cc1nn(-c2ccncn2)c(C)c1C[C@H](C)C[NH2+]C1CC1 ZINC000094259444 184771174 /nfs/dbraw/zinc/77/11/74/184771174.db2.gz UKVJJNMBDRMUCX-NSHDSACASA-N 1 0 285.395 2.210 10 0 CEAERO [NH3+]C1(Cc2nc([C@@H]3Cc4ccccc43)no2)CCC1 ZINC000094291970 184776696 /nfs/dbraw/zinc/77/66/96/184776696.db2.gz PPGQCODXSQSKKH-GFCCVEGCSA-N 1 0 255.321 2.182 10 0 CEAERO CCC[NH2+][C@H]1[C@@H](S(=O)(=O)CCC)CCC1(C)C ZINC000094311246 184778740 /nfs/dbraw/zinc/77/87/40/184778740.db2.gz XBVPJNMGTRHVRD-RYUDHWBXSA-N 1 0 261.431 2.368 10 0 CEAERO Cc1ccc(-c2nnc(CN3CC[C@H]([NH3+])[C@H](C)C3)o2)cc1 ZINC000094341926 184785560 /nfs/dbraw/zinc/78/55/60/184785560.db2.gz YXBKFAPXXGWDGE-OCCSQVGLSA-N 1 0 286.379 2.214 10 0 CEAERO C[C@H]1C[NH2+]CC[C@@H]1N1C(=O)CC2(CCCCC2)CC1=O ZINC000094345820 184786646 /nfs/dbraw/zinc/78/66/46/184786646.db2.gz DUVJUHBKUQODGP-STQMWFEESA-N 1 0 278.396 2.084 10 0 CEAERO OCC1([NH2+][C@H]2CCOC3(CCCC3)C2)CCCC1 ZINC000094371947 184790839 /nfs/dbraw/zinc/79/08/39/184790839.db2.gz QMPDIBBPAKMVLI-ZDUSSCGKSA-N 1 0 253.386 2.373 10 0 CEAERO [NH3+]C1(CO[C@@H]2CCO[C@]3(CCOC3)C2)CCCCC1 ZINC000094381103 184791622 /nfs/dbraw/zinc/79/16/22/184791622.db2.gz OFIUTDAUBBJYEF-UKRRQHHQSA-N 1 0 269.385 2.003 10 0 CEAERO CC(C)C[NH2+]CCc1nnc([C@]2(C)CCCO2)s1 ZINC000094793059 184865753 /nfs/dbraw/zinc/86/57/53/184865753.db2.gz JQHDFWXHWXOYSE-ZDUSSCGKSA-N 1 0 269.414 2.352 10 0 CEAERO CCC[NH2+][C@@H]1CCC2(C[C@H]1N1CCC(C)(C)C1)OCCO2 ZINC000094800606 184868490 /nfs/dbraw/zinc/86/84/90/184868490.db2.gz GQTVOBHVSHDSQQ-HUUCEWRRSA-N 1 0 296.455 2.382 10 0 CEAERO CC1(C)CCN(C(=O)[C@@H]2CCC[C@H](CC[NH3+])C2)C1 ZINC000094813209 184872774 /nfs/dbraw/zinc/87/27/74/184872774.db2.gz ZOTQHYRKLGVAGM-CHWSQXEVSA-N 1 0 252.402 2.400 10 0 CEAERO CC[C@H](C[NH3+])c1nc(-c2cncc(Br)c2)no1 ZINC000094823136 184875001 /nfs/dbraw/zinc/87/50/01/184875001.db2.gz VRHOKJSDYVLWTI-SSDOTTSWSA-N 1 0 297.156 2.346 10 0 CEAERO [NH3+][C@@H]1CC[C@H](c2nc([C@@H]3CSCCS3)no2)C1 ZINC000094495599 184810094 /nfs/dbraw/zinc/81/00/94/184810094.db2.gz ZHHLWWHRELZQPF-YIZRAAEISA-N 1 0 271.411 2.186 10 0 CEAERO C[C@@H]1C[C@H]([NH3+])CN(C(=O)c2c(F)cccc2Cl)C1 ZINC000094549486 184815553 /nfs/dbraw/zinc/81/55/53/184815553.db2.gz QFWCQHXTWCKSJU-BDAKNGLRSA-N 1 0 270.735 2.288 10 0 CEAERO C[C@H]1C[C@@H]([NH3+])CN(Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000094552744 184817058 /nfs/dbraw/zinc/81/70/58/184817058.db2.gz XKGJRVBYPNQTJF-CMPLNLGQSA-N 1 0 296.798 2.280 10 0 CEAERO Cc1ccc(C)c(CC(=O)N2C[C@H]([NH3+])C[C@H](C)C2)c1 ZINC000094549889 184817061 /nfs/dbraw/zinc/81/70/61/184817061.db2.gz BWXSRNLAVPRVMX-SWLSCSKDSA-N 1 0 260.381 2.042 10 0 CEAERO [NH3+]C[C@H]1CC[C@H](C(=O)Nc2ccccc2C(F)(F)F)O1 ZINC000094562948 184818643 /nfs/dbraw/zinc/81/86/43/184818643.db2.gz YLVOJVJJVKWQQQ-LDYMZIIASA-N 1 0 288.269 2.150 10 0 CEAERO CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CC[C@@H](C[NH3+])O1 ZINC000094568205 184819041 /nfs/dbraw/zinc/81/90/41/184819041.db2.gz BWBVUHLGPXVDIK-UONOGXRCSA-N 1 0 296.798 2.195 10 0 CEAERO CC[NH+](CC)CCNc1nc2ccc(Cl)cn2n1 ZINC000094602380 184823750 /nfs/dbraw/zinc/82/37/50/184823750.db2.gz WLSDBDLPPHEVPW-UHFFFAOYSA-N 1 0 267.764 2.136 10 0 CEAERO Cc1cccc2nc(NCc3ccc(CC[NH3+])cc3)nn21 ZINC000094607754 184825632 /nfs/dbraw/zinc/82/56/32/184825632.db2.gz VWQRDRLAHTXUDS-UHFFFAOYSA-N 1 0 281.363 2.151 10 0 CEAERO C[NH2+][C@](C)(CO)CCCCSc1ccncc1 ZINC000094616406 184826511 /nfs/dbraw/zinc/82/65/11/184826511.db2.gz GLNZBZZSZAFTKG-ZDUSSCGKSA-N 1 0 254.399 2.314 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCc1cc(F)cc(F)c1 ZINC000094648191 184834138 /nfs/dbraw/zinc/83/41/38/184834138.db2.gz KRXQQOWTVIRLEE-HZMBPMFUSA-N 1 0 282.334 2.012 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCCC(C)(C)CC1 ZINC000094648640 184834268 /nfs/dbraw/zinc/83/42/68/184834268.db2.gz DTUWOOVXQKSYFI-STQMWFEESA-N 1 0 252.402 2.413 10 0 CEAERO CC[C@@H]([NH3+])[C@](O)(c1cc(OC)cc(OC)c1)C(F)(F)F ZINC000094651889 184834357 /nfs/dbraw/zinc/83/43/57/184834357.db2.gz JWOUIXOGHGTGSH-VXGBXAGGSA-N 1 0 293.285 2.191 10 0 CEAERO C[NH2+][C@@H](c1cc(OC)cc(OC)c1)[C@@H]1CCOC1 ZINC000094651311 184834504 /nfs/dbraw/zinc/83/45/04/184834504.db2.gz AJEOOQHKJIJVDE-QMTHXVAHSA-N 1 0 251.326 2.001 10 0 CEAERO COc1ccc(CC[NH3+])c(OCc2ccc(O)cc2)c1 ZINC000094687256 184839895 /nfs/dbraw/zinc/83/98/95/184839895.db2.gz LZWQSKHFNKRKQX-UHFFFAOYSA-N 1 0 273.332 2.481 10 0 CEAERO COc1ccc(NC(=O)[C@@H](C[NH3+])CC(C)C)cc1 ZINC000094696583 184842056 /nfs/dbraw/zinc/84/20/56/184842056.db2.gz SZGNZWHRLRCYIE-LLVKDONJSA-N 1 0 250.342 2.255 10 0 CEAERO CC(C)C[C@@H](C[NH3+])C(=O)N(C)CCc1cccs1 ZINC000094701038 184842434 /nfs/dbraw/zinc/84/24/34/184842434.db2.gz JSUUFNOMJRGGAL-LBPRGKRZSA-N 1 0 268.426 2.370 10 0 CEAERO CCN(C(=O)Cc1cccc(F)c1F)[C@@H]1CCC[C@H]1C[NH3+] ZINC000094713660 184845448 /nfs/dbraw/zinc/84/54/48/184845448.db2.gz IEIYIVPIOKPPBG-GXTWGEPZSA-N 1 0 296.361 2.483 10 0 CEAERO Cc1csc(C[C@H](O)C(C)(C)[NH+]2CCCC2)n1 ZINC000094972263 184909303 /nfs/dbraw/zinc/90/93/03/184909303.db2.gz PRKSLRKRQAOSHR-NSHDSACASA-N 1 0 254.399 2.229 10 0 CEAERO C[C@@H]([NH3+])Cc1cn(Cc2nccs2)c2ncccc12 ZINC000094978181 184909447 /nfs/dbraw/zinc/90/94/47/184909447.db2.gz PJYAAIHHCHMRRO-SNVBAGLBSA-N 1 0 272.377 2.431 10 0 CEAERO Cc1csc(C[C@](C)(O)CC[NH2+]CC(C)C)n1 ZINC000094982101 184909886 /nfs/dbraw/zinc/90/98/86/184909886.db2.gz UYTHZWGUMNBTOO-CYBMUJFWSA-N 1 0 256.415 2.381 10 0 CEAERO C[NH2+]C1CCC(O)(Cc2nc(C)c(C)s2)CC1 ZINC000094982088 184910096 /nfs/dbraw/zinc/91/00/96/184910096.db2.gz TUTSKRMMIVVIFH-UHFFFAOYSA-N 1 0 254.399 2.196 10 0 CEAERO CCCCCC(C)(C)C[NH2+][C@H](C)C(=O)NC(=O)NCC ZINC000094983063 184910118 /nfs/dbraw/zinc/91/01/18/184910118.db2.gz MKFZZJWYBGOIPD-GFCCVEGCSA-N 1 0 285.432 2.417 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccnc(N2CCC[C@@H]2CO)c1 ZINC000094998533 184912515 /nfs/dbraw/zinc/91/25/15/184912515.db2.gz SQOPRGSEVAZUOH-GXTWGEPZSA-N 1 0 263.385 2.103 10 0 CEAERO C[NH2+][C@H](C)[C@@H]1CCCCN1Cc1cccnc1OC ZINC000095005532 184913308 /nfs/dbraw/zinc/91/33/08/184913308.db2.gz QLURCZNZUYDKMU-OCCSQVGLSA-N 1 0 263.385 2.053 10 0 CEAERO CN(c1nc2ccccc2nc1NC1CC1)[C@H]1CC[NH2+]C1 ZINC000095070589 184932225 /nfs/dbraw/zinc/93/22/25/184932225.db2.gz WRRWVBKKZHGQOX-LBPRGKRZSA-N 1 0 283.379 2.002 10 0 CEAERO Cc1cc(Cl)nc(N(C)C[C@H]2CCCC[NH2+]2)n1 ZINC000095070779 184932757 /nfs/dbraw/zinc/93/27/57/184932757.db2.gz QBFRWDDSQHOQBS-SNVBAGLBSA-N 1 0 254.765 2.017 10 0 CEAERO c1ccc2nc(N[C@@H]3CCC[NH2+]C3)c(NC3CC3)nc2c1 ZINC000095092783 184942070 /nfs/dbraw/zinc/94/20/70/184942070.db2.gz HOANCQQZWWHVIC-GFCCVEGCSA-N 1 0 283.379 2.368 10 0 CEAERO CC[NH2+]CCCS(=O)(=O)N(CC(C)C)C1CCCC1 ZINC000094852644 184880677 /nfs/dbraw/zinc/88/06/77/184880677.db2.gz NCNUKYOUPORKAZ-UHFFFAOYSA-N 1 0 290.473 2.216 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1Oc1ncnc2c1CCCC2 ZINC000094872824 184885263 /nfs/dbraw/zinc/88/52/63/184885263.db2.gz VJDXXGHLTMCEFA-FZMZJTMJSA-N 1 0 261.369 2.252 10 0 CEAERO CCN(Cc1cccc(C)n1)C(=O)CC1([NH3+])CCC1 ZINC000094914640 184891883 /nfs/dbraw/zinc/89/18/83/184891883.db2.gz VASVJQSDHBAAJS-UHFFFAOYSA-N 1 0 261.369 2.010 10 0 CEAERO CCC[NH2+][C@@H]1CCOC[C@H]1N(CC)Cc1ccccn1 ZINC000094913021 184892318 /nfs/dbraw/zinc/89/23/18/184892318.db2.gz HFYYFUQUVNQIHL-HZPDHXFCSA-N 1 0 277.412 2.061 10 0 CEAERO O[C@H](c1ccc(Cl)s1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000094935296 184896720 /nfs/dbraw/zinc/89/67/20/184896720.db2.gz HQBYOVCEZMCYEA-LNLATYFQSA-N 1 0 273.785 2.298 10 0 CEAERO CC[C@@H](CCO)C[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000094949670 184902117 /nfs/dbraw/zinc/90/21/17/184902117.db2.gz QXLCTIVYCRZGLG-ZDUSSCGKSA-N 1 0 279.380 2.346 10 0 CEAERO CC[C@@H](CCO)C[NH2+]C[C@H]1Cc2cc(C)ccc2O1 ZINC000094954274 184902834 /nfs/dbraw/zinc/90/28/34/184902834.db2.gz SHEJDDXJRPINMX-DZGCQCFKSA-N 1 0 263.381 2.297 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)COC2CC[NH2+]CC2)cc1F ZINC000094956542 184903821 /nfs/dbraw/zinc/90/38/21/184903821.db2.gz WKFFCOLQUGTLPM-LBPRGKRZSA-N 1 0 294.370 2.080 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)C[NH2+]CC2CC2)cc1F ZINC000094956573 184903978 /nfs/dbraw/zinc/90/39/78/184903978.db2.gz IUKSORONRCYBLR-LLVKDONJSA-N 1 0 264.344 2.311 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000094956361 184904002 /nfs/dbraw/zinc/90/40/02/184904002.db2.gz JRFJQPWCCNMREI-QWRGUYRKSA-N 1 0 252.333 2.296 10 0 CEAERO C[NH2+][C@H]1CCCN([C@@H](C)c2ccc(C)c(F)c2)C1=O ZINC000094962745 184906161 /nfs/dbraw/zinc/90/61/61/184906161.db2.gz WUBNDZZCSUZNNT-FZMZJTMJSA-N 1 0 264.344 2.406 10 0 CEAERO Cc1csc(CN2CCC[C@@H]2C[NH2+]C2CC2)n1 ZINC000094967434 184906813 /nfs/dbraw/zinc/90/68/13/184906813.db2.gz SRKHFZWTIJPYJX-GFCCVEGCSA-N 1 0 251.399 2.168 10 0 CEAERO CCCN(Cc1nc(C)cs1)[C@@H]1CCC[NH2+]C1 ZINC000094970054 184908165 /nfs/dbraw/zinc/90/81/65/184908165.db2.gz AKTJPVCSFCLEIL-GFCCVEGCSA-N 1 0 253.415 2.416 10 0 CEAERO Cc1ccc(OCc2nccs2)c(C[C@@H](C)[NH3+])n1 ZINC000094975133 184909003 /nfs/dbraw/zinc/90/90/03/184909003.db2.gz RGJMUUHJWBVYDH-SECBINFHSA-N 1 0 263.366 2.315 10 0 CEAERO O[C@H]1CCCC[C@H]1[N@@H+]1CCOc2ccc(F)cc2C1 ZINC000336453767 285363666 /nfs/dbraw/zinc/36/36/66/285363666.db2.gz PSJYNADCIGPXOS-KGLIPLIRSA-N 1 0 265.328 2.324 10 0 CEAERO O=C(Nc1nc(-c2ccc(O)cc2)cs1)[C@H]1CCC[NH2+]1 ZINC000237977560 131070017 /nfs/dbraw/zinc/07/00/17/131070017.db2.gz JOPUJRJISRVVDQ-LLVKDONJSA-N 1 0 289.360 2.206 10 0 CEAERO Cc1cccc([C@@H]2CCCN2C(=O)[C@@H]2CC[C@H](C[NH3+])O2)c1 ZINC000261698606 131162936 /nfs/dbraw/zinc/16/29/36/131162936.db2.gz BIAKUOHIVFUOIJ-PMPSAXMXSA-N 1 0 288.391 2.165 10 0 CEAERO C[NH2+]CCCC(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000262657479 131248390 /nfs/dbraw/zinc/24/83/90/131248390.db2.gz ZOCAZIGAQXUFRC-OLZOCXBDSA-N 1 0 296.436 2.162 10 0 CEAERO O=S1(=O)CC[C@@H](C[NH2+][C@H]2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC000037982742 296488262 /nfs/dbraw/zinc/48/82/62/296488262.db2.gz IPBWOHPSWPQWNO-XQLPTFJDSA-N 1 0 285.453 2.370 10 0 CEAERO c1ccc2nc(N3CC[C@H]4[NH2+]CC[C@@H]4C3)ccc2c1 ZINC000261582974 285530917 /nfs/dbraw/zinc/53/09/17/285530917.db2.gz HAAHOJONUGCOCH-ZIAGYGMSSA-N 1 0 253.349 2.423 10 0 CEAERO O[C@H]1CCCC[C@H]1[NH+]1CCN(c2ccccc2)CC1 ZINC000028238024 134752054 /nfs/dbraw/zinc/75/20/54/134752054.db2.gz BAAMFQVLPJYVQQ-CVEARBPZSA-N 1 0 260.381 2.112 10 0 CEAERO CC(C)[C@@H](C[NH3+])N1CCN(c2ccccc2Cl)CC1 ZINC000034940058 134785764 /nfs/dbraw/zinc/78/57/64/134785764.db2.gz BLUMDQMHARSUHW-OAHLLOKOSA-N 1 0 281.831 2.445 10 0 CEAERO C[NH2+]CCCC(=O)N1CCSc2ccccc21 ZINC000040855041 134872438 /nfs/dbraw/zinc/87/24/38/134872438.db2.gz UDEBJILKEKYJIR-UHFFFAOYSA-N 1 0 250.367 2.125 10 0 CEAERO [NH3+]C[C@](O)(CN1CCCc2ccccc21)c1ccccc1 ZINC000070521759 134952351 /nfs/dbraw/zinc/95/23/51/134952351.db2.gz OSHGSXZPXAAPPD-SFHVURJKSA-N 1 0 282.387 2.286 10 0 CEAERO CC[NH2+]C[C@@H](C)CN1C(=O)CCc2cc(F)ccc21 ZINC000070527238 134952408 /nfs/dbraw/zinc/95/24/08/134952408.db2.gz ZRUQGNSLWWPYRD-LLVKDONJSA-N 1 0 264.344 2.351 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](C)CN1c1ccccc1OC(F)F ZINC000083415177 135019989 /nfs/dbraw/zinc/01/99/89/135019989.db2.gz CUYDDTQONBXMOE-VHSXEESVSA-N 1 0 256.296 2.475 10 0 CEAERO CC(C)[C@@H](C[NH3+])C(=O)N1CCSc2ccccc21 ZINC000087532587 135050229 /nfs/dbraw/zinc/05/02/29/135050229.db2.gz QWNZXGKYORBIGY-LLVKDONJSA-N 1 0 264.394 2.356 10 0 CEAERO CCOCOc1ccc(C)cc1N1CCC[C@H]([NH3+])C1 ZINC000087888992 135052117 /nfs/dbraw/zinc/05/21/17/135052117.db2.gz CCPVPOJUIRSRLQ-ZDUSSCGKSA-N 1 0 264.369 2.295 10 0 CEAERO [NH3+]Cc1ccnc(N2CCC(C(F)(F)F)CC2)c1 ZINC000088416233 135054290 /nfs/dbraw/zinc/05/42/90/135054290.db2.gz LZZQTRPIMSDEPD-UHFFFAOYSA-N 1 0 259.275 2.319 10 0 CEAERO OC[C@@H]1CCC[C@@H]1C[NH2+]C1CCN(c2ccccn2)CC1 ZINC000089490409 135059381 /nfs/dbraw/zinc/05/93/81/135059381.db2.gz XUGIMVFFTAHACC-CABCVRRESA-N 1 0 289.423 2.049 10 0 CEAERO CC(C)Oc1cc(N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)ncn1 ZINC000090786102 135065125 /nfs/dbraw/zinc/06/51/25/135065125.db2.gz JWKIHQRIVLFYCJ-UONOGXRCSA-N 1 0 290.411 2.375 10 0 CEAERO CC[C@H]1C[NH2+]CCN1c1cc(C(F)(F)F)ccn1 ZINC000090804656 135065764 /nfs/dbraw/zinc/06/57/64/135065764.db2.gz FXVDDOWPYAEEEQ-JTQLQIEISA-N 1 0 259.275 2.289 10 0 CEAERO CC(C)[NH2+]C[C@@](C)(O)CN1C[C@@H](C)Cc2ccccc21 ZINC000090822392 135065930 /nfs/dbraw/zinc/06/59/30/135065930.db2.gz XPOSDUWPKHZZMJ-WMLDXEAASA-N 1 0 276.424 2.434 10 0 CEAERO Clc1ccc(N2C[C@H]3CC[C@@H](C2)O3)nc1C[NH2+]C1CC1 ZINC000090907728 135066760 /nfs/dbraw/zinc/06/67/60/135066760.db2.gz OPXDALFGZNIQKX-TXEJJXNPSA-N 1 0 293.798 2.355 10 0 CEAERO CCn1ccc(C[NH2+]C2CCN(c3ncccn3)CC2)c1 ZINC000091010327 135067049 /nfs/dbraw/zinc/06/70/49/135067049.db2.gz WVDRIQGBZQGKBX-UHFFFAOYSA-N 1 0 285.395 2.057 10 0 CEAERO CC(C)[NH2+]Cc1cncc(N2C[C@@H](C)S[C@@H](C)C2)n1 ZINC000091421865 135069873 /nfs/dbraw/zinc/06/98/73/135069873.db2.gz ULMLAGRMAABGRC-TXEJJXNPSA-N 1 0 280.441 2.305 10 0 CEAERO CSC1(C[NH3+])CCN(c2ncccc2Cl)CC1 ZINC000091470729 135070534 /nfs/dbraw/zinc/07/05/34/135070534.db2.gz LYHGXCFXUCBRQU-UHFFFAOYSA-N 1 0 271.817 2.396 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)N2CCSc3ccccc32)C1 ZINC000092206736 135075770 /nfs/dbraw/zinc/07/57/70/135075770.db2.gz WJFFJIOGEXHNGO-MNOVXSKESA-N 1 0 260.362 2.029 10 0 CEAERO O=C1Nc2c[nH+]ccc2N2CCc3sccc3[C@@H]12 ZINC000092513215 135077126 /nfs/dbraw/zinc/07/71/26/135077126.db2.gz GSZMPNRLISXSEV-LBPRGKRZSA-N 1 0 257.318 2.199 10 0 CEAERO CC(C)[NH2+]C[C@@H](C)[C@@H](C)N1CCN(c2ccccn2)CC1 ZINC000093068423 135078982 /nfs/dbraw/zinc/07/89/82/135078982.db2.gz ZFXIXSUCXDFNII-HZPDHXFCSA-N 1 0 290.455 2.226 10 0 CEAERO O[C@H]1CCC[C@H]1CC[NH+]1CCN(c2ccccc2)CC1 ZINC000093584340 135081738 /nfs/dbraw/zinc/08/17/38/135081738.db2.gz GFVZILYFMGDYQF-RDJZCZTQSA-N 1 0 274.408 2.360 10 0 CEAERO CC[C@](C)([NH3+])CN1CCN(c2cccc(C)c2)CC1 ZINC000094239250 135084665 /nfs/dbraw/zinc/08/46/65/135084665.db2.gz ZROUZWRDSAFKOX-INIZCTEOSA-N 1 0 261.413 2.244 10 0 CEAERO C[C@@H]([NH2+]CCC(N)=O)c1ccc(OC(F)(F)F)cc1 ZINC000027209441 394479220 /nfs/dbraw/zinc/47/92/20/394479220.db2.gz GLMUEIOAUONCPL-MRVPVSSYSA-N 1 0 276.258 2.111 10 0 CEAERO Cc1ccc(C(=O)N2CCC[C@@H]2C[NH3+])c(Cl)c1 ZINC000235847791 394484196 /nfs/dbraw/zinc/48/41/96/394484196.db2.gz DWDSOUMZSIAKDY-SNVBAGLBSA-N 1 0 252.745 2.212 10 0 CEAERO Cc1nc(N2CCC[C@@H]2C[NH3+])ccc1Br ZINC000235985244 394485117 /nfs/dbraw/zinc/48/51/17/394485117.db2.gz HQKUQWPASQTUAM-SECBINFHSA-N 1 0 270.174 2.080 10 0 CEAERO C[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H](N3CCOCC3)C2)C1 ZINC000245527978 394501171 /nfs/dbraw/zinc/50/11/71/394501171.db2.gz DINWNNMOYAWLLI-OWCLPIDISA-N 1 0 266.429 2.219 10 0 CEAERO O=C(/C=C\c1ccc(Cl)nc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000255893145 394592646 /nfs/dbraw/zinc/59/26/46/394592646.db2.gz GQTUNSUONWVEOX-AGLBCWCQSA-N 1 0 291.782 2.055 10 0 CEAERO CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000306673086 394517143 /nfs/dbraw/zinc/51/71/43/394517143.db2.gz MWBRZHFQDRJKBW-OWCLPIDISA-N 1 0 258.365 2.033 10 0 CEAERO C[C@H]1CC[C@]2(CN1C(=O)OC(C)(C)C)[NH2+]CCS2 ZINC000306782387 394517749 /nfs/dbraw/zinc/51/77/49/394517749.db2.gz QOLFSTSVIVJBIZ-GWCFXTLKSA-N 1 0 272.414 2.439 10 0 CEAERO C[C@@H]1CCC[C@@H](NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000247218912 394527707 /nfs/dbraw/zinc/52/77/07/394527707.db2.gz BNKJRFPXZMDIHW-MCIONIFRSA-N 1 0 265.401 2.055 10 0 CEAERO CCOC(=O)[C@@H]1CCC[N@H+](C[C@](C)(O)c2ccccc2)C1 ZINC000051953706 394556912 /nfs/dbraw/zinc/55/69/12/394556912.db2.gz OCYDAJIDGPWTGV-PBHICJAKSA-N 1 0 291.391 2.169 10 0 CEAERO CCn1c2ccccc2nc1[C@H](C)[NH2+][C@H]1CCOC1 ZINC000090036899 394654183 /nfs/dbraw/zinc/65/41/83/394654183.db2.gz QEXYQKHYPHXWEF-RYUDHWBXSA-N 1 0 259.353 2.496 10 0 CEAERO CCC(CC)C[N@@H+]1CCC[C@@H]([NH+](C)CC(=O)[O-])CC1 ZINC000263534671 394629166 /nfs/dbraw/zinc/62/91/66/394629166.db2.gz YOAJMPHJASNJKA-CQSZACIVSA-N 1 0 270.417 2.294 10 0 CEAERO Cc1ccc(C[NH2+][C@@H](C)COCc2ccccc2)nn1 ZINC000414356518 394741979 /nfs/dbraw/zinc/74/19/79/394741979.db2.gz DZWLIYMJTXOSQA-AWEZNQCLSA-N 1 0 271.364 2.480 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc2c(c1)CCCC2 ZINC000335499115 394770760 /nfs/dbraw/zinc/77/07/60/394770760.db2.gz AJFTZDLOSZUXQF-ABAIWWIYSA-N 1 0 258.365 2.127 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)N2CCC(C)CC2)[C@@H](C)C1 ZINC000131445360 394909817 /nfs/dbraw/zinc/90/98/17/394909817.db2.gz YNHFUXGOAOUKMO-KBPBESRZSA-N 1 0 267.417 2.157 10 0 CEAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CC1(C(N)=O)CCOCC1 ZINC000153179983 395001281 /nfs/dbraw/zinc/00/12/81/395001281.db2.gz HKPPTAXPGWLRFT-KGLIPLIRSA-N 1 0 296.455 2.463 10 0 CEAERO CC[C@H](C)NC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000344141286 395050663 /nfs/dbraw/zinc/05/06/63/395050663.db2.gz LPXKFSFUSVIHHL-AVGNSLFASA-N 1 0 253.390 2.053 10 0 CEAERO CC[C@@](C)(O)C[N@@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000161950644 395068194 /nfs/dbraw/zinc/06/81/94/395068194.db2.gz XGJUUHNYHZMKQS-DZGCQCFKSA-N 1 0 280.416 2.199 10 0 CEAERO CCC(CC)NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000156421580 395032156 /nfs/dbraw/zinc/03/21/56/395032156.db2.gz LEMOMVKQECIOHT-AAEUAGOBSA-N 1 0 255.406 2.203 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC1(O)CCCCC1 ZINC000173470723 395113982 /nfs/dbraw/zinc/11/39/82/395113982.db2.gz BYKIVWFKBPUJKP-HUUCEWRRSA-N 1 0 294.439 2.157 10 0 CEAERO Cc1nc([C@@H]2CN(C[C@@H](C)c3ccccc3)CCO2)n[nH]1 ZINC000173683166 395115746 /nfs/dbraw/zinc/11/57/46/395115746.db2.gz AXBUHQLCGQMTLT-DOMZBBRYSA-N 1 0 286.379 2.290 10 0 CEAERO COc1cccc(C[N@@H+]2CCC[C@H](O)[C@H]2C)c1F ZINC000384961292 395196764 /nfs/dbraw/zinc/19/67/64/395196764.db2.gz WPUQSLQPVZGEES-PWSUYJOCSA-N 1 0 253.317 2.180 10 0 CEAERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1cc(F)c(F)c(F)c1 ZINC000180602275 395205155 /nfs/dbraw/zinc/20/51/55/395205155.db2.gz RHAXNYXPDKAFLJ-WPRPVWTQSA-N 1 0 296.296 2.361 10 0 CEAERO O[C@@H]1CCC[C@@H]1[C@H]1CCCC[N@@H+]1CCC1(O)CCC1 ZINC000396781570 395218287 /nfs/dbraw/zinc/21/82/87/395218287.db2.gz IVVWGPFHAJCGMS-RBSFLKMASA-N 1 0 267.413 2.307 10 0 CEAERO CC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000401919856 395264912 /nfs/dbraw/zinc/26/49/12/395264912.db2.gz WHYFGSAVHDKVQL-AAVRWANBSA-N 1 0 252.402 2.460 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC1(SC)CCC1 ZINC000195119287 395459773 /nfs/dbraw/zinc/45/97/73/395459773.db2.gz ISVIYSLCYFWVSV-ZDUSSCGKSA-N 1 0 299.484 2.398 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCC1(SC)CC1 ZINC000195159807 395460772 /nfs/dbraw/zinc/46/07/72/395460772.db2.gz OBTJAEUCGWEGBR-GFCCVEGCSA-N 1 0 285.457 2.008 10 0 CEAERO CCCCOC[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000195188527 395461275 /nfs/dbraw/zinc/46/12/75/395461275.db2.gz UNQVVJNNFXXLSB-LSDHHAIUSA-N 1 0 281.400 2.114 10 0 CEAERO CCCCOC[C@H](O)C[N@H+](C)CCc1ncc(C)s1 ZINC000195201008 395462185 /nfs/dbraw/zinc/46/21/85/395462185.db2.gz IPDVJQSPKCRFNH-CYBMUJFWSA-N 1 0 286.441 2.103 10 0 CEAERO Cc1ccc(CN(C)C(=O)[C@H]2CCC[C@@H]2C[NH3+])s1 ZINC000648062671 395823683 /nfs/dbraw/zinc/82/36/83/395823683.db2.gz BUFLMLOZKMUTIH-YPMHNXCESA-N 1 0 266.410 2.390 10 0 CEAERO CC(C)C[C@@H]([NH3+])C(=O)NC1CCC(OC(C)C)CC1 ZINC000649375519 396133073 /nfs/dbraw/zinc/13/30/73/396133073.db2.gz DQGGRWNCDCZYNT-JXQTWKCFSA-N 1 0 270.417 2.212 10 0 CEAERO CC(C)OC1CCC(NC(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000649375568 396133337 /nfs/dbraw/zinc/13/33/37/396133337.db2.gz GWKIDGWUSWKAAR-PPWQZUPISA-N 1 0 282.428 2.214 10 0 CEAERO CC(C)n1ccnc1CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000649415077 396148071 /nfs/dbraw/zinc/14/80/71/396148071.db2.gz IPWZCCRDMBFZKT-HUUCEWRRSA-N 1 0 276.428 2.428 10 0 CEAERO Cc1ccc(Cl)c(OCC(=O)N[C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000647017088 396404116 /nfs/dbraw/zinc/40/41/16/396404116.db2.gz RIWMLLSVMDWPBR-DGCLKSJQSA-N 1 0 296.798 2.284 10 0 CEAERO COc1c(C[NH2+]C[C@H](C)CC(F)F)c(C)nn1C ZINC000647225343 396445318 /nfs/dbraw/zinc/44/53/18/396445318.db2.gz ACPCLTDVQUMAIP-MRVPVSSYSA-N 1 0 261.316 2.118 10 0 CEAERO C[C@@H](Cc1cccs1)NC(=O)C1CCC([NH3+])CC1 ZINC000037628232 400117773 /nfs/dbraw/zinc/11/77/73/400117773.db2.gz KIUDBJRFZWRSEH-UNXYVOJBSA-N 1 0 266.410 2.313 10 0 CEAERO CC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000037030929 400115063 /nfs/dbraw/zinc/11/50/63/400115063.db2.gz PAOBAFZPQIRFPD-XHDPSFHLSA-N 1 0 260.381 2.480 10 0 CEAERO [NH3+]CC1CCN(c2ncccc2C(F)(F)F)CC1 ZINC000044514696 400145232 /nfs/dbraw/zinc/14/52/32/400145232.db2.gz CEWVGKITPZMPDA-UHFFFAOYSA-N 1 0 259.275 2.276 10 0 CEAERO COc1cc(Cl)ccc1C(=O)N1CCCC[C@H]1C[NH3+] ZINC000044540771 400145616 /nfs/dbraw/zinc/14/56/16/400145616.db2.gz 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279.428 2.491 10 0 CEAERO Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@@H]1CCCCO1 ZINC000178287094 165230149 /nfs/dbraw/zinc/23/01/49/165230149.db2.gz SARSNEDFXNIGLR-CABCVRRESA-N 1 0 263.385 2.225 10 0 CEAERO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC(OCCC(C)C)CC1 ZINC000178428026 165241268 /nfs/dbraw/zinc/24/12/68/165241268.db2.gz OAYFDZMJQDSCNS-HIFRSBDPSA-N 1 0 284.444 2.414 10 0 CEAERO C[C@@H](CC(=O)N1CC[C@H](C[NH3+])C1)Cc1cccc(F)c1 ZINC000178582371 165247363 /nfs/dbraw/zinc/24/73/63/165247363.db2.gz CQTCCTSIMZCQNI-TZMCWYRMSA-N 1 0 278.371 2.202 10 0 CEAERO C[C@@H](CC(=O)N1CC[C@@H](C[NH3+])C1)Cc1cccc(F)c1 ZINC000178582391 165248996 /nfs/dbraw/zinc/24/89/96/165248996.db2.gz CQTCCTSIMZCQNI-OCCSQVGLSA-N 1 0 278.371 2.202 10 0 CEAERO C[C@@H]([NH3+])CCNC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000178682219 165253082 /nfs/dbraw/zinc/25/30/82/165253082.db2.gz IFOVJTGHNJAQFQ-GFCCVEGCSA-N 1 0 278.396 2.216 10 0 CEAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H](C)C(C)C)CC2 ZINC000180505271 165313077 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C[C@H]([NH3+])Cc1ccc(I)s1 ZINC000006021010 170169143 /nfs/dbraw/zinc/16/91/43/170169143.db2.gz CUWHECACXGCRLY-YFKPBYRVSA-N 1 0 267.135 2.242 10 0 CEAERO C[NH2+]CCc1cc(OC)c(Br)cc1OC ZINC000013737373 170584937 /nfs/dbraw/zinc/58/49/37/170584937.db2.gz ZRTYZUYYGULHEW-UHFFFAOYSA-N 1 0 274.158 2.228 10 0 CEAERO CC[NH+](CC)Cc1ccc(CNC(=O)CC(C)=O)cc1 ZINC000019409820 170788787 /nfs/dbraw/zinc/78/87/87/170788787.db2.gz SSEHASAFNMENFI-UHFFFAOYSA-N 1 0 276.380 2.124 10 0 CEAERO [NH3+]CCCc1nnc(Cc2cccc(Cl)c2)o1 ZINC000019733078 170847258 /nfs/dbraw/zinc/84/72/58/170847258.db2.gz TWTTXHDWTSAZPK-UHFFFAOYSA-N 1 0 251.717 2.205 10 0 CEAERO CC[C@H]([NH3+])c1ccc(O[C@H]2CCCCNC2=O)cc1 ZINC000019813295 170879973 /nfs/dbraw/zinc/87/99/73/170879973.db2.gz XSAKAVITYSZZLC-KBPBESRZSA-N 1 0 262.353 2.144 10 0 CEAERO CC(C)[C@@H](CN[C@@H]1COc2cc(O)ccc21)[NH+](C)C ZINC000020145795 171030728 /nfs/dbraw/zinc/03/07/28/171030728.db2.gz ZSHCUSBSMKGUBG-ZIAGYGMSSA-N 1 0 264.369 2.002 10 0 CEAERO CC(=O)NCC[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000020185095 171048194 /nfs/dbraw/zinc/04/81/94/171048194.db2.gz GOUVZAYPMPCYNH-SECBINFHSA-N 1 0 272.295 2.075 10 0 CEAERO CCOc1cc2c(cc1C[NH2+][C@H](CC)CO)O[C@@H](C)C2 ZINC000020194382 171059763 /nfs/dbraw/zinc/05/97/63/171059763.db2.gz OWQWLIXHWNUUBE-SMDDNHRTSA-N 1 0 279.380 2.269 10 0 CEAERO [NH3+]CCOc1ccc(NC(=O)Cc2ccc(F)cc2)cc1 ZINC000020224553 171087348 /nfs/dbraw/zinc/08/73/48/171087348.db2.gz WYPQCXLXMAKIIM-UHFFFAOYSA-N 1 0 288.322 2.344 10 0 CEAERO CC(C)CC(=O)N(C)c1cccc(OCC[NH3+])c1 ZINC000020225153 171087444 /nfs/dbraw/zinc/08/74/44/171087444.db2.gz YEOZWMLAJAIOGT-UHFFFAOYSA-N 1 0 250.342 2.033 10 0 CEAERO CN(C(=O)C(C)(C)C)c1ccc(OCCC[NH3+])cc1 ZINC000020225122 171087661 /nfs/dbraw/zinc/08/76/61/171087661.db2.gz OOXYABGZWVVVME-UHFFFAOYSA-N 1 0 264.369 2.423 10 0 CEAERO [NH3+]CCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000020269692 171125641 /nfs/dbraw/zinc/12/56/41/171125641.db2.gz LWUBHANZDIESNE-UHFFFAOYSA-N 1 0 296.436 2.189 10 0 CEAERO CC(C)CNC(=O)[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC000020316334 171147479 /nfs/dbraw/zinc/14/74/79/171147479.db2.gz DGSIBVJHIHUSOV-NSHDSACASA-N 1 0 252.333 2.076 10 0 CEAERO C[C@H]([NH2+]CCc1cccs1)C(=O)NC(C)(C)C ZINC000020358501 171157347 /nfs/dbraw/zinc/15/73/47/171157347.db2.gz DWIQYIJDSDKBOG-JTQLQIEISA-N 1 0 254.399 2.183 10 0 CEAERO CCC[C@@H](C)NC(=O)[C@@H](C)Oc1cccc(C[NH3+])c1 ZINC000020386754 171176417 /nfs/dbraw/zinc/17/64/17/171176417.db2.gz JBGHSTHJYYOWJM-VXGBXAGGSA-N 1 0 264.369 2.217 10 0 CEAERO [NH3+]CCc1csc(CCOc2ccc(F)cc2)n1 ZINC000020399212 171181315 /nfs/dbraw/zinc/18/13/15/171181315.db2.gz KXMIFZBXCWCJEP-UHFFFAOYSA-N 1 0 266.341 2.405 10 0 CEAERO C[C@@H]([NH3+])c1ccc(O[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000020419339 171183794 /nfs/dbraw/zinc/18/37/94/171183794.db2.gz JFZUDHKMIIMWIJ-MNOVXSKESA-N 1 0 264.369 2.388 10 0 CEAERO COc1cccc(OC)c1[C@H]([NH3+])Cc1ccccn1 ZINC000020429049 171194052 /nfs/dbraw/zinc/19/40/52/171194052.db2.gz WKBONYAXDWAXEY-GFCCVEGCSA-N 1 0 258.321 2.341 10 0 CEAERO Cn1cc([C@H]([NH3+])c2ccccc2C(F)(F)F)cn1 ZINC000020476850 171220915 /nfs/dbraw/zinc/22/09/15/171220915.db2.gz HCACEGKCFCBEOV-NSHDSACASA-N 1 0 255.243 2.487 10 0 CEAERO CCCCOCCO[C@@H]1COc2ccccc2[C@H]1[NH3+] ZINC000020509982 171230267 /nfs/dbraw/zinc/23/02/67/171230267.db2.gz KGZYTRPVENAREO-HUUCEWRRSA-N 1 0 265.353 2.281 10 0 CEAERO COc1ccc([C@@H](C)N2CCC([NH3+])CC2)cc1F ZINC000020521550 171234995 /nfs/dbraw/zinc/23/49/95/171234995.db2.gz ILNGTVKXKLFGHT-SNVBAGLBSA-N 1 0 252.333 2.318 10 0 CEAERO CC(C)[NH+](CCNC1N=NC(=S)S1)C(C)C ZINC000020581488 171257117 /nfs/dbraw/zinc/25/71/17/171257117.db2.gz QVSDUJPMBOBUSI-UHFFFAOYSA-N 1 0 260.432 2.358 10 0 CEAERO CC[NH+](CC)CCCN1C(=S)N=NC1C1CC1 ZINC000020590462 171261050 /nfs/dbraw/zinc/26/10/50/171261050.db2.gz ASTZZFSSPVVNPA-UHFFFAOYSA-N 1 0 254.403 2.176 10 0 CEAERO CCCN(CCC)S(=O)(=O)Cc1ccccc1C[NH3+] ZINC000021061703 171297356 /nfs/dbraw/zinc/29/73/56/171297356.db2.gz FEFFPRJEAIYJRY-UHFFFAOYSA-N 1 0 284.425 2.097 10 0 CEAERO C[NH+](C)CCNCc1cc(Br)ccc1F ZINC000022143989 171355901 /nfs/dbraw/zinc/35/59/01/171355901.db2.gz KHQXWSWUQNEJEV-UHFFFAOYSA-N 1 0 275.165 2.239 10 0 CEAERO C[C@@H](C(=O)Nc1ccccc1N)[N@@H+]1CCC[C@@H](C)C1 ZINC000022153094 171360041 /nfs/dbraw/zinc/36/00/41/171360041.db2.gz CWIMMZKHRCRLSJ-NEPJUHHUSA-N 1 0 261.369 2.328 10 0 CEAERO C[C@H]1C[NH+](CCCC(=O)Nc2cccc(N)c2)C[C@H](C)O1 ZINC000022154561 171361301 /nfs/dbraw/zinc/36/13/01/171361301.db2.gz ORVCKIUGDZOZQK-STQMWFEESA-N 1 0 291.395 2.097 10 0 CEAERO Cc1ccc(N)cc1NC(=O)CCC[N@@H+]1CCO[C@@H](C)C1 ZINC000022156445 171362583 /nfs/dbraw/zinc/36/25/83/171362583.db2.gz ATDYEIUNFXJRGQ-ZDUSSCGKSA-N 1 0 291.395 2.017 10 0 CEAERO [NH3+]C[C@H](c1ccc(Br)o1)N1CCCC1 ZINC000022167463 171366247 /nfs/dbraw/zinc/36/62/47/171366247.db2.gz UTCSZVLANVZLNR-MRVPVSSYSA-N 1 0 259.147 2.138 10 0 CEAERO C[NH+](C)CCC(=O)Nc1c(N)cc(Cl)cc1Cl ZINC000022173835 171369403 /nfs/dbraw/zinc/36/94/03/171369403.db2.gz CUCOAIJVZJTMCL-UHFFFAOYSA-N 1 0 276.167 2.466 10 0 CEAERO Cc1c(N)cccc1NC(=O)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000022220613 171377788 /nfs/dbraw/zinc/37/77/88/171377788.db2.gz RUGIDMNYTUUAJJ-RYUDHWBXSA-N 1 0 275.396 2.494 10 0 CEAERO Cc1ccc([C@H]([NH3+])[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000022563419 171391009 /nfs/dbraw/zinc/39/10/09/171391009.db2.gz XJAVMNDZXOZFBP-KNCOVGOOSA-N 1 0 262.397 2.493 10 0 CEAERO O[C@@H](c1ccc(Br)cc1)[C@H]1CCC[NH2+]1 ZINC000032108972 171701531 /nfs/dbraw/zinc/70/15/31/171701531.db2.gz RJZDKAOWJJXOEM-MNOVXSKESA-N 1 0 256.143 2.235 10 0 CEAERO O=C(N[C@H]1C[NH+]2CCC1CC2)c1ccc2occc2c1 ZINC000034219945 171835141 /nfs/dbraw/zinc/83/51/41/171835141.db2.gz CXDMUUBLDHSHNL-AWEZNQCLSA-N 1 0 270.332 2.257 10 0 CEAERO CCCNC(=O)[C@H](C)Oc1cccc([C@@H](C)[NH2+]C)c1 ZINC000034822031 171875261 /nfs/dbraw/zinc/87/52/61/171875261.db2.gz QUSWEWGWEDPNEL-NEPJUHHUSA-N 1 0 264.369 2.261 10 0 CEAERO CC[NH2+]C[C@@H](O)CSc1ccc2c(c1)CCC2 ZINC000034978886 171911634 /nfs/dbraw/zinc/91/16/34/171911634.db2.gz SOXPJNRBGHBREA-CYBMUJFWSA-N 1 0 251.395 2.238 10 0 CEAERO COC(=O)[C@@H](C)C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000035133558 171999078 /nfs/dbraw/zinc/99/90/78/171999078.db2.gz DNKLAQYMNUMLTI-AWEZNQCLSA-N 1 0 290.407 2.050 10 0 CEAERO CCCC[C@@H](N)c1nc(CC[NH+](CC)CC)no1 ZINC000035411347 172183129 /nfs/dbraw/zinc/18/31/29/172183129.db2.gz PRJITDRYVYBADK-LLVKDONJSA-N 1 0 254.378 2.144 10 0 CEAERO CCN(C)c1nc2sccn2c1C[NH2+]C1CC1 ZINC000035430054 172197879 /nfs/dbraw/zinc/19/78/79/172197879.db2.gz HRVAIMJYELVVEH-UHFFFAOYSA-N 1 0 250.371 2.104 10 0 CEAERO CCC[NH2+]Cc1c(N2CCSCC2)nc2sccn12 ZINC000035430002 172198505 /nfs/dbraw/zinc/19/85/05/172198505.db2.gz ZAACRWPORWDPQF-UHFFFAOYSA-N 1 0 296.465 2.449 10 0 CEAERO C[NH2+]Cc1c(N(C)[C@@H]2CCSC2)nc2sccn12 ZINC000035430293 172198999 /nfs/dbraw/zinc/19/89/99/172198999.db2.gz QYGSDIFQHPIBBT-SECBINFHSA-N 1 0 282.438 2.057 10 0 CEAERO CC(C)[NH2+]Cc1c(-n2cccn2)nc2ccccn21 ZINC000035449703 172203759 /nfs/dbraw/zinc/20/37/59/172203759.db2.gz MIPUYOIFSHZGIN-UHFFFAOYSA-N 1 0 255.325 2.018 10 0 CEAERO CC[NH2+][C@H](c1cnn(C)c1)c1cc(F)cc(F)c1 ZINC000035555839 172261705 /nfs/dbraw/zinc/26/17/05/172261705.db2.gz YEBMZZSXHLRBMP-ZDUSSCGKSA-N 1 0 251.280 2.397 10 0 CEAERO CCN(CC)C(=O)COc1ccc(C)cc1[C@@H](C)[NH3+] ZINC000035629462 172310123 /nfs/dbraw/zinc/31/01/23/172310123.db2.gz AENILMMAFWHGAU-GFCCVEGCSA-N 1 0 264.369 2.262 10 0 CEAERO CCC[NH2+][C@H](C)c1ccc(S(=O)(=O)NCC)cc1 ZINC000035632948 172316133 /nfs/dbraw/zinc/31/61/33/172316133.db2.gz NVPOUADKNGQTSJ-LLVKDONJSA-N 1 0 270.398 2.045 10 0 CEAERO Cc1ccc(CN(C)C(=O)[C@H]2Cc3ccccc3C[NH2+]2)o1 ZINC000035660282 172337265 /nfs/dbraw/zinc/33/72/65/172337265.db2.gz ODDKAKHLNHIZFR-MRXNPFEDSA-N 1 0 284.359 2.261 10 0 CEAERO CC[C@@H](C)N(CC)S(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000035679480 172350423 /nfs/dbraw/zinc/35/04/23/172350423.db2.gz BWJFWZGLKUAITO-SNVBAGLBSA-N 1 0 290.454 2.058 10 0 CEAERO C[C@@H](NC(=O)Cc1ccccc1F)[C@@H]1CCCC[NH2+]1 ZINC000035690542 172358983 /nfs/dbraw/zinc/35/89/83/172358983.db2.gz KTOVLWHCDPEYED-RISCZKNCSA-N 1 0 264.344 2.015 10 0 CEAERO C[C@H](NC(=O)NC1CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000035691198 172359358 /nfs/dbraw/zinc/35/93/58/172359358.db2.gz VLNAJYUMMMCZJS-AAEUAGOBSA-N 1 0 253.390 2.149 10 0 CEAERO C[C@H](NC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)c1cccnc1 ZINC000035692182 172361050 /nfs/dbraw/zinc/36/10/50/172361050.db2.gz QJVFOXVGIHUORV-NZBPQXDJSA-N 1 0 273.380 2.180 10 0 CEAERO C[C@H]([NH2+]CC(=O)Nc1cccc(Cl)c1)[C@@H]1CCCO1 ZINC000035735815 172388522 /nfs/dbraw/zinc/38/85/22/172388522.db2.gz QFQFPHFETRRDHJ-GWCFXTLKSA-N 1 0 282.771 2.436 10 0 CEAERO CCC[NH+]1CCC([C@H](C)Nc2cnn(C)c2)CC1 ZINC000035737408 172390568 /nfs/dbraw/zinc/39/05/68/172390568.db2.gz NDLVXNRYGNBYSH-LBPRGKRZSA-N 1 0 250.390 2.343 10 0 CEAERO O=S1(=O)CC[C@H]([NH2+]C2CC2)c2cccc(Cl)c21 ZINC000035761184 172399370 /nfs/dbraw/zinc/39/93/70/172399370.db2.gz AWYKIPRLFFDRKF-NSHDSACASA-N 1 0 271.769 2.311 10 0 CEAERO C[NH2+][C@H]1C[C@H](C)S(=O)(=O)c2ccc(Cl)cc21 ZINC000035760977 172399571 /nfs/dbraw/zinc/39/95/71/172399571.db2.gz FAUFXVUTKNVLJW-XVKPBYJWSA-N 1 0 259.758 2.166 10 0 CEAERO C[NH2+][C@H]1C[C@@H](C)S(=O)(=O)c2ccc(Cl)cc21 ZINC000035760975 172399607 /nfs/dbraw/zinc/39/96/07/172399607.db2.gz FAUFXVUTKNVLJW-XCBNKYQSSA-N 1 0 259.758 2.166 10 0 CEAERO CN(Cc1ccncc1)C[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000036776437 172692640 /nfs/dbraw/zinc/69/26/40/172692640.db2.gz VBHFUFFYNGCQIL-XHSDSOJGSA-N 1 0 259.397 2.434 10 0 CEAERO CC(C)C[C@H]([NH3+])C(=O)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000036810018 172726088 /nfs/dbraw/zinc/72/60/88/172726088.db2.gz URQBBJOSFUVFOQ-MJBXVCDLSA-N 1 0 252.402 2.399 10 0 CEAERO Cn1cc([C@H]([NH3+])c2ccccc2OC(F)F)cn1 ZINC000036893089 172784923 /nfs/dbraw/zinc/78/49/23/172784923.db2.gz SKYALYPLFBZEBU-NSHDSACASA-N 1 0 253.252 2.070 10 0 CEAERO Cc1cccc(NC(=O)Nc2ccc(C[NH3+])cc2)n1 ZINC000037010102 172867552 /nfs/dbraw/zinc/86/75/52/172867552.db2.gz YZLSKSBSTDALLK-UHFFFAOYSA-N 1 0 256.309 2.493 10 0 CEAERO CC[C@@H](C)[N@H+](C)CCOc1cccc(C(N)=S)c1 ZINC000037144584 172983095 /nfs/dbraw/zinc/98/30/95/172983095.db2.gz MLNXCJHHNRLQNM-LLVKDONJSA-N 1 0 266.410 2.430 10 0 CEAERO Cc1c([C@H](C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cnn1C ZINC000037167646 173002584 /nfs/dbraw/zinc/00/25/84/173002584.db2.gz RHLWSWFXHASPPS-HLVVYCRESA-N 1 0 262.401 2.004 10 0 CEAERO C[N@H+](CCC(=O)Nc1cccc(N)c1)[C@@H]1CCSC1 ZINC000037174212 173008290 /nfs/dbraw/zinc/00/82/90/173008290.db2.gz OGZGPPOGDYZRBB-CYBMUJFWSA-N 1 0 279.409 2.035 10 0 CEAERO NC(=O)C[NH2+][C@H](Cc1cccs1)c1cccs1 ZINC000037184009 173016711 /nfs/dbraw/zinc/01/67/11/173016711.db2.gz QBVBLINQDXOZIR-SNVBAGLBSA-N 1 0 266.391 2.168 10 0 CEAERO C[C@H]([NH2+]C1CCN(C(N)=O)CC1)c1cccc(F)c1 ZINC000037234898 173053280 /nfs/dbraw/zinc/05/32/80/173053280.db2.gz LZPVXQQBNQURTP-JTQLQIEISA-N 1 0 265.332 2.019 10 0 CEAERO CC(=O)NCC[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000037235776 173054450 /nfs/dbraw/zinc/05/44/50/173054450.db2.gz BOXGXDFUWWDIIF-AWEZNQCLSA-N 1 0 250.317 2.003 10 0 CEAERO C[C@H]([NH2+][C@H](c1cccs1)C1CCCC1)C(N)=O ZINC000037261546 173071529 /nfs/dbraw/zinc/07/15/29/173071529.db2.gz WBMOCFHIIBOUPT-CABZTGNLSA-N 1 0 252.383 2.443 10 0 CEAERO CC(C)C[C@H](C)NS(=O)(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000037265491 173073928 /nfs/dbraw/zinc/07/39/28/173073928.db2.gz WGXIMKGXGOEVDJ-RYUDHWBXSA-N 1 0 284.425 2.419 10 0 CEAERO C[N@H+](Cc1ccc(C(N)=O)cc1N)C1CCCCC1 ZINC000037272440 173084494 /nfs/dbraw/zinc/08/44/94/173084494.db2.gz XGDUHCQOVMLDMB-UHFFFAOYSA-N 1 0 261.369 2.132 10 0 CEAERO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](CC(C)C)C(=O)N(C)C ZINC000037272991 173084739 /nfs/dbraw/zinc/08/47/39/173084739.db2.gz GEGQYIZFRPYNCZ-IHRRRGAJSA-N 1 0 270.417 2.037 10 0 CEAERO C[C@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccc(F)c(F)c1 ZINC000037277463 173088338 /nfs/dbraw/zinc/08/83/38/173088338.db2.gz YYJAGYOMBBXOOF-VIFPVBQESA-N 1 0 283.322 2.159 10 0 CEAERO COc1ccc(NC(=O)[C@@H]([NH3+])Cc2ccccc2)cc1F ZINC000037290843 173096101 /nfs/dbraw/zinc/09/61/01/173096101.db2.gz GJROIPCXVAXHOO-AWEZNQCLSA-N 1 0 288.322 2.343 10 0 CEAERO CC(C)(C)n1cc(C[NH2+][C@H]2CCC[C@@H](O)C2)cn1 ZINC000037321423 173122082 /nfs/dbraw/zinc/12/20/82/173122082.db2.gz RBEANCZWTVALDY-QWHCGFSZSA-N 1 0 251.374 2.031 10 0 CEAERO CC(C)[NH2+]C[C@H](O)CSc1ccc(F)cc1F ZINC000037381947 173167828 /nfs/dbraw/zinc/16/78/28/173167828.db2.gz VNOVDLWHYNLTED-JTQLQIEISA-N 1 0 261.337 2.416 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)NCc1ccc(Cl)cc1 ZINC000037386310 173168435 /nfs/dbraw/zinc/16/84/35/173168435.db2.gz TUUVDHATNYPGAJ-JTQLQIEISA-N 1 0 254.761 2.344 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000037389650 173173043 /nfs/dbraw/zinc/17/30/43/173173043.db2.gz VHLALRDLGDHSAP-NWDGAFQWSA-N 1 0 294.395 2.269 10 0 CEAERO CC(C)n1c2ccc(F)cc2nc1[C@@H]([NH3+])[C@@H](C)O ZINC000037439724 173209675 /nfs/dbraw/zinc/20/96/75/173209675.db2.gz MBFDIXYUBRSTNG-PELKAZGASA-N 1 0 251.305 2.137 10 0 CEAERO [NH3+][C@H](CO)c1nc2cccc(Cl)c2n1C1CC1 ZINC000037444429 173211940 /nfs/dbraw/zinc/21/19/40/173211940.db2.gz XHGUXCUAIJJCMD-SECBINFHSA-N 1 0 251.717 2.017 10 0 CEAERO C[C@H]([NH2+]Cc1cccs1)C(=O)NC1CCCC1 ZINC000037466960 173226853 /nfs/dbraw/zinc/22/68/53/173226853.db2.gz OLRKYXIAFNBHPS-JTQLQIEISA-N 1 0 252.383 2.285 10 0 CEAERO Cc1ccc(N2CC[C@@H]([NH3+])C2)c(Br)c1 ZINC000037483422 173228550 /nfs/dbraw/zinc/22/85/50/173228550.db2.gz KONKPKLUNOLTOG-SECBINFHSA-N 1 0 255.159 2.295 10 0 CEAERO CCN(C(=O)Cc1ccccc1C)C1CC[NH2+]CC1 ZINC000037537429 173257065 /nfs/dbraw/zinc/25/70/65/173257065.db2.gz UYFORZCJBCEIHF-UHFFFAOYSA-N 1 0 260.381 2.138 10 0 CEAERO CCC[C@@H](C)N(C)S(=O)(=O)c1ccc(C[NH2+]C)cc1 ZINC000037573662 173524018 /nfs/dbraw/zinc/52/40/18/173524018.db2.gz MSQUDVUTKHKTLC-GFCCVEGCSA-N 1 0 284.425 2.215 10 0 CEAERO CCC[NH2+][C@H](C)c1cccc(OCCS(C)(=O)=O)c1 ZINC000037743807 173665363 /nfs/dbraw/zinc/66/53/63/173665363.db2.gz GMYICUJJDZCLTE-GFCCVEGCSA-N 1 0 285.409 2.171 10 0 CEAERO CCN(C(=O)CCC[NH3+])[C@H](C)c1cccc(O)c1 ZINC000037827097 173784900 /nfs/dbraw/zinc/78/49/00/173784900.db2.gz LTCQEQFDBVPFQH-LLVKDONJSA-N 1 0 250.342 2.041 10 0 CEAERO CC(C)CC[NH2+]C[C@@H](O)c1ccc2c(c1)OCO2 ZINC000037877212 173819089 /nfs/dbraw/zinc/81/90/89/173819089.db2.gz HUZXHILRKJIXRJ-GFCCVEGCSA-N 1 0 251.326 2.084 10 0 CEAERO Cc1nc(CNCC[NH+](C(C)C)C(C)C)oc1C ZINC000037909185 173841981 /nfs/dbraw/zinc/84/19/81/173841981.db2.gz YTZMTOSOFOQXKA-UHFFFAOYSA-N 1 0 253.390 2.500 10 0 CEAERO O=C(C1CCCC1)N1CCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000037915686 173849916 /nfs/dbraw/zinc/84/99/16/173849916.db2.gz POOZOTPZXWWHTB-KGLIPLIRSA-N 1 0 250.386 2.167 10 0 CEAERO FC(F)(F)COc1ccc(NC2CC[NH2+]CC2)cn1 ZINC000038040932 174040808 /nfs/dbraw/zinc/04/08/08/174040808.db2.gz ONCBAQROZXNLQM-UHFFFAOYSA-N 1 0 275.274 2.187 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)Cc1ccc(Cl)cc1 ZINC000038049523 174060506 /nfs/dbraw/zinc/06/05/06/174060506.db2.gz WCHIFKNYNJRFPB-STQMWFEESA-N 1 0 266.772 2.269 10 0 CEAERO CCOc1ccccc1[C@](C)([NH2+][C@H](C)CC)C(N)=O ZINC000038065584 174076806 /nfs/dbraw/zinc/07/68/06/174076806.db2.gz UPFQYDLVOXVWDJ-ABAIWWIYSA-N 1 0 264.369 2.174 10 0 CEAERO CC(C)c1ccc([C@H](O)C[NH2+]C[C@H]2CCOC2)cc1 ZINC000038094621 174108332 /nfs/dbraw/zinc/10/83/32/174108332.db2.gz BCKXQPLPYSPDFL-CZUORRHYSA-N 1 0 263.381 2.470 10 0 CEAERO CC[NH+](CC)CCN[C@H](CO)c1ccc(Cl)cc1 ZINC000038117001 174126157 /nfs/dbraw/zinc/12/61/57/174126157.db2.gz LWYQQVBUSBWYEQ-CQSZACIVSA-N 1 0 270.804 2.305 10 0 CEAERO COC(=O)[C@@H](C)C[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000040491091 174292469 /nfs/dbraw/zinc/29/24/69/174292469.db2.gz DMLJCVOWYICAMH-WDEREUQCSA-N 1 0 281.352 2.164 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(N)cc2Cl)C1 ZINC000040501643 174298407 /nfs/dbraw/zinc/29/84/07/174298407.db2.gz UKTJMORDLHNRMS-LLVKDONJSA-N 1 0 281.787 2.136 10 0 CEAERO CCN1CCC[C@@H]([NH2+]C2CCN(CC=C(C)C)CC2)C1 ZINC000040502890 174298675 /nfs/dbraw/zinc/29/86/75/174298675.db2.gz PYUFUIIQEBZJSB-QGZVFWFLSA-N 1 0 279.472 2.491 10 0 CEAERO CCN1CCC[C@H]([NH2+]Cc2ccc3c(c2)OCCCO3)C1 ZINC000040502989 174300178 /nfs/dbraw/zinc/30/01/78/174300178.db2.gz HREWMXYBLZPOCY-HNNXBMFYSA-N 1 0 290.407 2.422 10 0 CEAERO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](C)c1sc(C)nc1C ZINC000040519001 174308594 /nfs/dbraw/zinc/30/85/94/174308594.db2.gz BFHLVTYFJPKOKD-NMLBEHRDSA-N 1 0 269.414 2.311 10 0 CEAERO C[NH2+]C[C@H]1CCCN(Cc2nc3ccccc3o2)C1 ZINC000040599583 174350383 /nfs/dbraw/zinc/35/03/83/174350383.db2.gz ABKWOFBSXUSRRL-GFCCVEGCSA-N 1 0 259.353 2.259 10 0 CEAERO C[NH2+]C[C@@H]1CCCN(Cc2cn3cccc(C)c3n2)C1 ZINC000040600597 174350846 /nfs/dbraw/zinc/35/08/46/174350846.db2.gz RDOYZOGIOGOBSJ-AWEZNQCLSA-N 1 0 272.396 2.074 10 0 CEAERO COC(=O)NC[C@H](c1ccco1)[NH+]1CCC(C)CC1 ZINC000040614782 174353463 /nfs/dbraw/zinc/35/34/63/174353463.db2.gz OKMGEFNELGYRKB-GFCCVEGCSA-N 1 0 266.341 2.409 10 0 CEAERO CC(C)c1nn(C)cc1CNC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000040623459 174355884 /nfs/dbraw/zinc/35/58/84/174355884.db2.gz VHVKICYCEKGVIV-AWEZNQCLSA-N 1 0 278.444 2.363 10 0 CEAERO COC(=O)[C@H](C)C[NH2+]Cc1cc2c(s1)CCC2 ZINC000040627050 174356839 /nfs/dbraw/zinc/35/68/39/174356839.db2.gz KROBYIAXDJHGKZ-SECBINFHSA-N 1 0 253.367 2.136 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000040630165 174357890 /nfs/dbraw/zinc/35/78/90/174357890.db2.gz OXEYEQPNKPRULC-GHMZBOCLSA-N 1 0 288.269 2.021 10 0 CEAERO COc1ccc(-c2c[nH]c([C@@H]3C[C@H](OC)C[NH2+]3)n2)cc1F ZINC000040637803 174361798 /nfs/dbraw/zinc/36/17/98/174361798.db2.gz KNSXOPRMGXUHFE-JQWIXIFHSA-N 1 0 291.326 2.274 10 0 CEAERO CO[C@H]1C[NH2+][C@H](c2nc(-c3cccc(F)c3)c[nH]2)C1 ZINC000040637741 174361898 /nfs/dbraw/zinc/36/18/98/174361898.db2.gz VGJQQVWRFLABDW-NEPJUHHUSA-N 1 0 261.300 2.265 10 0 CEAERO COc1cccc(-c2c[nH]c([C@@H]3C[C@H](OC)C[NH2+]3)n2)c1 ZINC000040637711 174362016 /nfs/dbraw/zinc/36/20/16/174362016.db2.gz DMPBFGJMDFNECS-STQMWFEESA-N 1 0 273.336 2.135 10 0 CEAERO COc1ccc(C)cc1-c1c[nH]c([C@H]2C[C@H](OC)C[NH2+]2)n1 ZINC000040637856 174362024 /nfs/dbraw/zinc/36/20/24/174362024.db2.gz BAVDSWXRZJJUBU-WCQYABFASA-N 1 0 287.363 2.443 10 0 CEAERO C[C@H]([NH2+]C[C@]1(N(C)C)CCC[C@@H](C)C1)C(=O)N1CCCC1 ZINC000040669902 174368412 /nfs/dbraw/zinc/36/84/12/174368412.db2.gz JFWXKHSGLXZQRI-VYDXJSESSA-N 1 0 295.471 2.097 10 0 CEAERO CCOc1cccc(C[NH2+][C@H]2CCCN(C)C2)c1OC ZINC000040672930 174371628 /nfs/dbraw/zinc/37/16/28/174371628.db2.gz ISNBXWKJSHHEEG-AWEZNQCLSA-N 1 0 278.396 2.278 10 0 CEAERO [NH3+][C@H](CCO)c1nc2cc(Cl)ccc2n1C1CC1 ZINC000040710318 174380917 /nfs/dbraw/zinc/38/09/17/174380917.db2.gz DALYQZQTLVLNIJ-SNVBAGLBSA-N 1 0 265.744 2.407 10 0 CEAERO COc1ccc([C@@H](N)C[N@@H+]2CC[C@@H](C)C2)c(OC)c1 ZINC000040717907 174384973 /nfs/dbraw/zinc/38/49/73/174384973.db2.gz XYRUFYVNZZHMQA-RISCZKNCSA-N 1 0 264.369 2.045 10 0 CEAERO CC[NH2+]Cc1c(N2CC[C@@H](C)C2)nc2sccn12 ZINC000040723695 174386147 /nfs/dbraw/zinc/38/61/47/174386147.db2.gz LKLHGZYQHWERCN-SNVBAGLBSA-N 1 0 264.398 2.352 10 0 CEAERO CCCc1ccc([C@H]([NH3+])Cn2cnc(C)cc2=O)cc1 ZINC000040728058 174387926 /nfs/dbraw/zinc/38/79/26/174387926.db2.gz BQEJTCUTOHHOSI-OAHLLOKOSA-N 1 0 271.364 2.204 10 0 CEAERO CCCN(C(=O)CC(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747858 174393114 /nfs/dbraw/zinc/39/31/14/174393114.db2.gz ZJGHCZKIAVAHAW-ZACCUICWSA-N 1 0 278.318 2.460 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Cl)ccc1O ZINC000040749632 174394378 /nfs/dbraw/zinc/39/43/78/174394378.db2.gz CYMSAADHKAAKBV-FGWVZKOKSA-N 1 0 280.755 2.140 10 0 CEAERO Cc1ccc(C)c(C(=O)N2[C@@H]3CC[C@H]2CC([NH3+])C3)c1 ZINC000040749687 174394481 /nfs/dbraw/zinc/39/44/81/174394481.db2.gz GIWXIHQGAJRGMT-AGUYFDCRSA-N 1 0 258.365 2.398 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH]c2ccccc12 ZINC000040749710 174394544 /nfs/dbraw/zinc/39/45/44/174394544.db2.gz RCYFKYBQWKYSBU-AGUYFDCRSA-N 1 0 283.375 2.191 10 0 CEAERO CC(C)CN(CC(C)C)C(=O)CN1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750075 174395360 /nfs/dbraw/zinc/39/53/60/174395360.db2.gz ZGOJNESQBSYNQS-MQVJKMGUSA-N 1 0 295.471 2.081 10 0 CEAERO CN(C)Nc1[nH+]cnc(Nc2cccc3ncccc32)c1N ZINC000040760063 174396688 /nfs/dbraw/zinc/39/66/88/174396688.db2.gz IJLUNAGQAQAAFX-UHFFFAOYSA-N 1 0 295.350 2.239 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCC(C2CCC2)CC1 ZINC000662856972 414777328 /nfs/dbraw/zinc/77/73/28/414777328.db2.gz AAKGXXNCMDHOPZ-LSDHHAIUSA-N 1 0 264.413 2.400 10 0 CEAERO Fc1ccc(CN2CC[C@@H]3OCC[NH2+][C@H]3C2)cc1Cl ZINC000404253514 414779652 /nfs/dbraw/zinc/77/96/52/414779652.db2.gz KNJNNGNZBPWBBA-KBPBESRZSA-N 1 0 284.762 2.042 10 0 CEAERO CC(C)c1ccc([C@H](O)C[NH2+]Cc2cnn(C)c2)cc1 ZINC000041159864 174502019 /nfs/dbraw/zinc/50/20/19/174502019.db2.gz IFVPOSSQPQPJRD-MRXNPFEDSA-N 1 0 273.380 2.367 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1CC2CCC1CC2 ZINC000400188675 414747714 /nfs/dbraw/zinc/74/77/14/414747714.db2.gz YFYYJPCXJIGRRK-NWINJMCUSA-N 1 0 252.402 2.302 10 0 CEAERO C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]C2)CCc2ccccc21 ZINC000404783129 414790950 /nfs/dbraw/zinc/79/09/50/414790950.db2.gz DCIGHUMVQGQQEI-HIFRSBDPSA-N 1 0 272.392 2.174 10 0 CEAERO CC(C)([NH3+])c1cn(Cc2cc(F)ccc2Cl)nn1 ZINC000125575089 414798486 /nfs/dbraw/zinc/79/84/86/414798486.db2.gz HKSHGKGSQYUOPN-UHFFFAOYSA-N 1 0 268.723 2.313 10 0 CEAERO CCCC1CCC(NC(=O)C(C)(C)N2CC[NH2+]CC2)CC1 ZINC000129709239 414812742 /nfs/dbraw/zinc/81/27/42/414812742.db2.gz PLRIVRMNIAWDFA-UHFFFAOYSA-N 1 0 295.471 2.145 10 0 CEAERO CN(C(=O)c1ccc(F)c(Cl)c1)[C@H](C[NH3+])C(F)(F)F ZINC000662985720 414819062 /nfs/dbraw/zinc/81/90/62/414819062.db2.gz ZGMJNCTUNLFVGF-SECBINFHSA-N 1 0 298.667 2.441 10 0 CEAERO CN(C(=O)C1CCC(F)(F)CC1)[C@@H](C[NH3+])C(F)(F)F ZINC000662987697 414819475 /nfs/dbraw/zinc/81/94/75/414819475.db2.gz WTESNESJLBPNAF-QMMMGPOBSA-N 1 0 288.260 2.160 10 0 CEAERO CC(C)C[C@@H]1CCN(C(=O)C2CCC([NH3+])CC2)C1 ZINC000307848881 414853343 /nfs/dbraw/zinc/85/33/43/414853343.db2.gz ZIRFUCLXWGWLRY-HSBZDZAISA-N 1 0 252.402 2.399 10 0 CEAERO CC(C)C[C@@H]1CCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000307828737 414853443 /nfs/dbraw/zinc/85/34/43/414853443.db2.gz FEDWPHUARKHXAE-MJBXVCDLSA-N 1 0 252.402 2.256 10 0 CEAERO COc1ccc(F)cc1C[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000310980734 414857296 /nfs/dbraw/zinc/85/72/96/414857296.db2.gz JQXVNTQWQMHNMN-CHWSQXEVSA-N 1 0 253.317 2.227 10 0 CEAERO COc1ccc(F)cc1C[NH2+][C@H]1CCC[C@H](O)C1 ZINC000310980738 414858638 /nfs/dbraw/zinc/85/86/38/414858638.db2.gz JQXVNTQWQMHNMN-STQMWFEESA-N 1 0 253.317 2.227 10 0 CEAERO CC(C)C[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653089160 414900485 /nfs/dbraw/zinc/90/04/85/414900485.db2.gz YTGCXAWNNDVYSN-QJPTWQEYSA-N 1 0 292.345 2.279 10 0 CEAERO FC(F)(F)c1cccnc1NCC12CC(C1)C[NH2+]2 ZINC000663275489 414901055 /nfs/dbraw/zinc/90/10/55/414901055.db2.gz YGHWSOKEEIIQKJ-UHFFFAOYSA-N 1 0 257.259 2.264 10 0 CEAERO CC1(C)CCC(NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CC1 ZINC000653091261 414903483 /nfs/dbraw/zinc/90/34/83/414903483.db2.gz POYAUFFLWRJJIE-GHMZBOCLSA-N 1 0 292.345 2.469 10 0 CEAERO C[C@@H]([NH3+])c1cc(F)ccc1N(C)C[C@@H]1CCCO1 ZINC000042464412 174753026 /nfs/dbraw/zinc/75/30/26/174753026.db2.gz WKFHKDYORHRXBB-PWSUYJOCSA-N 1 0 252.333 2.461 10 0 CEAERO COCc1nc(CN[C@H]2CC[N@@H+](C(C)(C)C)C2)cs1 ZINC000657563286 415002834 /nfs/dbraw/zinc/00/28/34/415002834.db2.gz RPGNWNZGRXBFFO-NSHDSACASA-N 1 0 283.441 2.252 10 0 CEAERO NC(=[NH2+])c1ccc(CN(CC(F)(F)F)C2CC2)cc1 ZINC000042767841 174869990 /nfs/dbraw/zinc/86/99/90/174869990.db2.gz HMYQBMKVNUROMC-UHFFFAOYSA-N 1 0 271.286 2.497 10 0 CEAERO Cc1ccc([C@@H](Sc2nc(N)cc(N)n2)[C@@H](C)[NH3+])cc1 ZINC000042912477 174910597 /nfs/dbraw/zinc/91/05/97/174910597.db2.gz QLDUAZHOKDDKME-RNCFNFMXSA-N 1 0 289.408 2.130 10 0 CEAERO COc1ccc([C@@H]([C@@H](C)[NH3+])N2CCC(OC)CC2)cc1 ZINC000042960820 174925359 /nfs/dbraw/zinc/92/53/59/174925359.db2.gz HCOOAMUVZAKFFR-MLGOLLRUSA-N 1 0 278.396 2.194 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccccc1F)N1CCC(O)CC1 ZINC000043042429 174953910 /nfs/dbraw/zinc/95/39/10/174953910.db2.gz QLLOYKNCMGBBQX-HUUCEWRRSA-N 1 0 266.360 2.061 10 0 CEAERO C[C@@H]([NH3+])[C@H](Oc1ccc(C(N)=O)cc1)c1cccs1 ZINC000043110453 174974006 /nfs/dbraw/zinc/97/40/06/174974006.db2.gz NBDOOAHJFDTMNX-RNCFNFMXSA-N 1 0 276.361 2.314 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1nc(N)cc(N)n1)c1cccs1 ZINC000043114727 174974733 /nfs/dbraw/zinc/97/47/33/174974733.db2.gz GLJHGSJVBAZQRP-CPCISQLKSA-N 1 0 295.437 2.273 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1nc(N)cc(N)n1)c1cccs1 ZINC000043114738 174974742 /nfs/dbraw/zinc/97/47/42/174974742.db2.gz GLJHGSJVBAZQRP-RDDDGLTNSA-N 1 0 295.437 2.273 10 0 CEAERO COc1cccc(CO[C@H](c2cnn(C)c2)[C@@H](C)[NH3+])c1 ZINC000043235199 174987257 /nfs/dbraw/zinc/98/72/57/174987257.db2.gz QGSUHIPEJLWIOT-ABAIWWIYSA-N 1 0 275.352 2.034 10 0 CEAERO Cc1ccc([C@@H](Sc2nc[nH]n2)[C@@H](C)[NH3+])s1 ZINC000043246163 174991007 /nfs/dbraw/zinc/99/10/07/174991007.db2.gz OGDVFRAXIXZGLU-APPZFPTMSA-N 1 0 254.384 2.355 10 0 CEAERO Cc1nc(C)n([C@H](C[NH3+])c2ccc(Cl)s2)n1 ZINC000043254562 174995089 /nfs/dbraw/zinc/99/50/89/174995089.db2.gz BSMSLQACGQBIGW-MRVPVSSYSA-N 1 0 256.762 2.158 10 0 CEAERO CC[NH2+][C@@H](c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300905 175001416 /nfs/dbraw/zinc/00/14/16/175001416.db2.gz BNVXDJIKDOLZID-YPMHNXCESA-N 1 0 287.812 2.425 10 0 CEAERO Cc1cccc([C@H](C[NH3+])N2CCOC(C)(C)C2)c1C ZINC000043314692 175004785 /nfs/dbraw/zinc/00/47/85/175004785.db2.gz HQIQWKJGNQYEFZ-HNNXBMFYSA-N 1 0 262.397 2.414 10 0 CEAERO C[NH2+]CCCC(=O)Nc1cc(OC)ccc1Cl ZINC000043318641 175005448 /nfs/dbraw/zinc/00/54/48/175005448.db2.gz VUHDMTSOHXNUSU-UHFFFAOYSA-N 1 0 256.733 2.287 10 0 CEAERO CC(C)OC(=O)c1ccc(N[C@@H]2CCC[NH2+]C2)cc1 ZINC000043326068 175007387 /nfs/dbraw/zinc/00/73/87/175007387.db2.gz ZGHFQKODLLCSPW-CQSZACIVSA-N 1 0 262.353 2.416 10 0 CEAERO CN(C)C(=O)c1ccc(Cl)cc1N[C@H]1CCC[NH2+]C1 ZINC000043326788 175008114 /nfs/dbraw/zinc/00/81/14/175008114.db2.gz DCKQVUIPDFQHTF-NSHDSACASA-N 1 0 281.787 2.206 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccco1)N1CCC(OC)CC1 ZINC000043334787 175010405 /nfs/dbraw/zinc/01/04/05/175010405.db2.gz FOMZZAKDIRAYMZ-OCCSQVGLSA-N 1 0 252.358 2.169 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccccn1)N(C)Cc1cccnc1 ZINC000043339251 175013196 /nfs/dbraw/zinc/01/31/96/175013196.db2.gz DJXYTMHCFFLJBP-HOCLYGCPSA-N 1 0 270.380 2.387 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccccn1)N1CCCC[C@@H]1CCO ZINC000043338901 175013283 /nfs/dbraw/zinc/01/32/83/175013283.db2.gz ANYDRRHYQMWZAO-IJEWVQPXSA-N 1 0 277.412 2.097 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccccn1)N1C[C@@H](C)OC[C@@H]1CC ZINC000043339336 175013617 /nfs/dbraw/zinc/01/36/17/175013617.db2.gz OKDIOSAEEWCYOA-HLPPOEQASA-N 1 0 277.412 2.359 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccccn1)N1CCCSCC1 ZINC000043339902 175013624 /nfs/dbraw/zinc/01/36/24/175013624.db2.gz YLOLGGOAQXNEJZ-JSGCOSHPSA-N 1 0 265.426 2.299 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccccn1)N(CC)[C@@H](C)COC ZINC000043341148 175015227 /nfs/dbraw/zinc/01/52/27/175015227.db2.gz YXAZSPDZPKHQRA-KCQAQPDRSA-N 1 0 265.401 2.217 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Oc1ccc(C(N)=O)cc1)c1ccccn1 ZINC000043343232 175015658 /nfs/dbraw/zinc/01/56/58/175015658.db2.gz AUTPASMPTFYSSW-DZGCQCFKSA-N 1 0 285.347 2.038 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Oc1ccc(C(N)=O)cc1)c1ccccn1 ZINC000043343230 175015917 /nfs/dbraw/zinc/01/59/17/175015917.db2.gz AUTPASMPTFYSSW-HIFRSBDPSA-N 1 0 285.347 2.038 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1nccn1C)c1ccccn1 ZINC000043344185 175016363 /nfs/dbraw/zinc/01/63/63/175016363.db2.gz FFYRFDIJASERJE-CMPLNLGQSA-N 1 0 262.382 2.386 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccncc1)N(C)CCc1ccccn1 ZINC000043353159 175020236 /nfs/dbraw/zinc/02/02/36/175020236.db2.gz HWLJIHKWHHEPHG-IAGOWNOFSA-N 1 0 284.407 2.430 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccncc1)N(CC)C[C@@H]1CCCO1 ZINC000043354169 175021754 /nfs/dbraw/zinc/02/17/54/175021754.db2.gz AMEGNUVCBJWMAO-HRCADAONSA-N 1 0 277.412 2.361 10 0 CEAERO [NH3+]C[C@@H](c1ccncc1)N(CC(F)(F)F)C1CC1 ZINC000043354824 175022010 /nfs/dbraw/zinc/02/20/10/175022010.db2.gz VHYVVVWFHJFQGB-NSHDSACASA-N 1 0 259.275 2.108 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccncc1)n1cc(Br)cn1 ZINC000043354986 175022974 /nfs/dbraw/zinc/02/29/74/175022974.db2.gz JWPJPSCEGZRXIL-VXGBXAGGSA-N 1 0 295.184 2.367 10 0 CEAERO CCc1c(C)nn([C@@H](c2ccncc2)[C@@H](C)[NH3+])c1C ZINC000043355007 175023241 /nfs/dbraw/zinc/02/32/41/175023241.db2.gz KDURJCHLFDDAQF-MEBBXXQBSA-N 1 0 258.369 2.394 10 0 CEAERO Cc1ccc([C@@H]([C@H](C)[NH3+])N2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000043363672 175024017 /nfs/dbraw/zinc/02/40/17/175024017.db2.gz ZPGUZNUGBZIOPP-KZVDOYCCSA-N 1 0 252.358 2.086 10 0 CEAERO Cc1ccc([C@@H]([C@@H](C)[NH3+])N2CCCC[C@@H]2CCO)o1 ZINC000043363834 175024782 /nfs/dbraw/zinc/02/47/82/175024782.db2.gz WSPQHPKCAJLBHX-UMVBOHGHSA-N 1 0 266.385 2.213 10 0 CEAERO Cc1ccc([C@H]([C@@H](C)[NH3+])N(C)C2CCOCC2)o1 ZINC000043364459 175025678 /nfs/dbraw/zinc/02/56/78/175025678.db2.gz SLINXOBSBBQRAV-RISCZKNCSA-N 1 0 252.358 2.087 10 0 CEAERO Cc1ccc([C@H]([C@@H](C)[NH3+])N2CCCSCC2)o1 ZINC000043364685 175025730 /nfs/dbraw/zinc/02/57/30/175025730.db2.gz AMWZMKNNRXRFPH-YPMHNXCESA-N 1 0 254.399 2.415 10 0 CEAERO Cc1ccc([C@H](C[NH3+])N(CCO)C2CCCCC2)o1 ZINC000043365189 175026774 /nfs/dbraw/zinc/02/67/74/175026774.db2.gz OKDJSKHQZYJNRI-AWEZNQCLSA-N 1 0 266.385 2.215 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1nncn1C)c1ccc(C)o1 ZINC000043367334 175027161 /nfs/dbraw/zinc/02/71/61/175027161.db2.gz QHEDSPLKNZYSSG-KOLCDFICSA-N 1 0 266.370 2.287 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1nncn1C)c1ccc(C)o1 ZINC000043367335 175027207 /nfs/dbraw/zinc/02/72/07/175027207.db2.gz QHEDSPLKNZYSSG-GXSJLCMTSA-N 1 0 266.370 2.287 10 0 CEAERO CC[C@@H]([NH3+])[C@H](SCC(=O)OC)c1ccc(C)o1 ZINC000043367616 175027708 /nfs/dbraw/zinc/02/77/08/175027708.db2.gz ZNKPUBTUAFEMPK-SKDRFNHKSA-N 1 0 257.355 2.273 10 0 CEAERO CC[C@H]([NH3+])[C@H](N(C)Cc1ccco1)C(F)(F)F ZINC000043377204 175029969 /nfs/dbraw/zinc/02/99/69/175029969.db2.gz QXMJYWPYZJPFFA-UWVGGRQHSA-N 1 0 250.264 2.380 10 0 CEAERO C[C@@H]([NH3+])[C@H](N1CCC[C@@H]1c1ccncc1)C(F)(F)F ZINC000043377556 175030026 /nfs/dbraw/zinc/03/00/26/175030026.db2.gz WPCRJFHDLDUXFW-JLLWLGSASA-N 1 0 273.302 2.497 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1ncccn1)C(F)(F)F ZINC000043385963 175032082 /nfs/dbraw/zinc/03/20/82/175032082.db2.gz JWJFUPOGJCBRQC-RNFRBKRXSA-N 1 0 251.277 2.237 10 0 CEAERO CCN(CCOC)[C@H](C[NH3+])c1ccc(Cl)c(F)c1 ZINC000043390548 175033693 /nfs/dbraw/zinc/03/36/93/175033693.db2.gz IIVUHDUEONHCPV-CYBMUJFWSA-N 1 0 274.767 2.447 10 0 CEAERO C[C@H]1COCCN1[C@@H](C[NH3+])c1ccc(Cl)c(F)c1 ZINC000043390310 175033779 /nfs/dbraw/zinc/03/37/79/175033779.db2.gz SVSZYEKYGVFXAT-ZANVPECISA-N 1 0 272.751 2.200 10 0 CEAERO CC[NH2+][C@@H](c1cc(C)cc(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043393199 175034452 /nfs/dbraw/zinc/03/44/52/175034452.db2.gz ZJCACTFUSXQYBG-UKRRQHHQSA-N 1 0 281.421 2.389 10 0 CEAERO Cc1cc(C)cc([C@@H](C[NH3+])N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000043393795 175034857 /nfs/dbraw/zinc/03/48/57/175034857.db2.gz ZVRCZKSRRYWBCB-IJEWVQPXSA-N 1 0 262.397 2.412 10 0 CEAERO COc1ccccc1CN(C)c1nc(C)ccc1C[NH3+] ZINC000043395811 175035443 /nfs/dbraw/zinc/03/54/43/175035443.db2.gz NETXXWDQZOLVRM-UHFFFAOYSA-N 1 0 271.364 2.494 10 0 CEAERO COc1cc(C)cc(OC)c1OC[C@@H]1CCC[NH2+]1 ZINC000043496994 175058155 /nfs/dbraw/zinc/05/81/55/175058155.db2.gz SMTCWJGLJLFRKH-NSHDSACASA-N 1 0 251.326 2.143 10 0 CEAERO C[NH2+]CCC(=O)Nc1cccc(-c2nccs2)c1 ZINC000043604657 175078182 /nfs/dbraw/zinc/07/81/82/175078182.db2.gz FVVXRYRCFYWPSX-UHFFFAOYSA-N 1 0 261.350 2.358 10 0 CEAERO [NH3+]C[C@H]1CCCN1Cc1cc(Br)cs1 ZINC000043687649 175094824 /nfs/dbraw/zinc/09/48/24/175094824.db2.gz QATTYZGYHJFPAL-SECBINFHSA-N 1 0 275.215 2.434 10 0 CEAERO CCC[NH2+][C@H](c1ccc(OC)cc1)[C@@H](C)N1CCOCC1 ZINC000043808693 175109207 /nfs/dbraw/zinc/10/92/07/175109207.db2.gz IPFFDEGEAJAEMQ-PBHICJAKSA-N 1 0 292.423 2.457 10 0 CEAERO CC[NH2+][C@H](CN(C)C(C)C)c1ccc2c(c1)OCO2 ZINC000043813393 175110717 /nfs/dbraw/zinc/11/07/17/175110717.db2.gz HNABWCWVILLWNZ-CYBMUJFWSA-N 1 0 264.369 2.406 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2C[C@@H]1N1C[C@@H](C)O[C@@H](C)C1 ZINC000043811514 175110828 /nfs/dbraw/zinc/11/08/28/175110828.db2.gz AGKBVTDEVBSCJZ-RMHZUWNSSA-N 1 0 274.408 2.371 10 0 CEAERO C[NH2+][C@H]1CCC2(C[C@H]1N(C)Cc1ccccc1)OCCO2 ZINC000043816425 175112270 /nfs/dbraw/zinc/11/22/70/175112270.db2.gz WKRXURFZOBKRRX-JKSUJKDBSA-N 1 0 290.407 2.002 10 0 CEAERO C[NH2+][C@H]1CCOC[C@@H]1N1CCC(Cc2ccccc2)CC1 ZINC000043819728 175113932 /nfs/dbraw/zinc/11/39/32/175113932.db2.gz FIVCQDKKCHYDND-ROUUACIJSA-N 1 0 288.435 2.318 10 0 CEAERO CCC[NH2+][C@H]1CCOC[C@H]1N1CCCCCCC1 ZINC000043819370 175114004 /nfs/dbraw/zinc/11/40/04/175114004.db2.gz MJBDLQBTSJTCKA-LSDHHAIUSA-N 1 0 254.418 2.410 10 0 CEAERO CCOc1ccccc1[C@@H](CN(C)C1CCOCC1)[NH2+]C ZINC000043898233 175121020 /nfs/dbraw/zinc/12/10/20/175121020.db2.gz OGYGENFHBSWYEA-MRXNPFEDSA-N 1 0 292.423 2.457 10 0 CEAERO C[NH2+][C@@H](CN(C)CC(F)(F)F)c1cccc(OC)c1 ZINC000043900598 175121770 /nfs/dbraw/zinc/12/17/70/175121770.db2.gz OQNSZAABBSYADV-LBPRGKRZSA-N 1 0 276.302 2.450 10 0 CEAERO CCC[NH2+][C@H]1CCCC[C@@H]1N1CCOC[C@@H]1CC ZINC000043899437 175121902 /nfs/dbraw/zinc/12/19/02/175121902.db2.gz OJMVTJHBGNFABK-KKUMJFAQSA-N 1 0 254.418 2.408 10 0 CEAERO CC[NH2+][C@@H]1CCOC[C@H]1N(C)Cc1ccccc1F ZINC000043910767 175123524 /nfs/dbraw/zinc/12/35/24/175123524.db2.gz WTUXOHDTDGKMTO-HUUCEWRRSA-N 1 0 266.360 2.025 10 0 CEAERO CC[NH2+][C@H]1c2ccc(OC)cc2CC[C@@H]1N(C)CCOC ZINC000043916095 175124843 /nfs/dbraw/zinc/12/48/43/175124843.db2.gz VOUIYVPCSTUJKY-IRXDYDNUSA-N 1 0 292.423 2.239 10 0 CEAERO CC[NH2+][C@@H](CN(C)CCOC)c1ccccc1OCC ZINC000043915977 175125134 /nfs/dbraw/zinc/12/51/34/175125134.db2.gz ARKFAXSJUXHWDT-HNNXBMFYSA-N 1 0 280.412 2.314 10 0 CEAERO CC[NH2+][C@H](c1ccccc1)[C@@H](C)N(C)CCOC ZINC000043915724 175125196 /nfs/dbraw/zinc/12/51/96/175125196.db2.gz OCEKFBWCRUDXHU-HIFRSBDPSA-N 1 0 250.386 2.304 10 0 CEAERO C[NH2+][C@H](CN1CCOCC1(C)C)c1ccccc1C ZINC000043916728 175125570 /nfs/dbraw/zinc/12/55/70/175125570.db2.gz XDQAUQZZIHFEKZ-OAHLLOKOSA-N 1 0 262.397 2.366 10 0 CEAERO CCN(C[C@@H]1CCCO1)[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C ZINC000043966785 175127708 /nfs/dbraw/zinc/12/77/08/175127708.db2.gz DQOXHPLGWRWQGM-UAGQMJEPSA-N 1 0 274.408 2.373 10 0 CEAERO CCC[NH2+][C@@H]1CCC[C@@H]1N(CC)C[C@@H]1CCCO1 ZINC000043966909 175128135 /nfs/dbraw/zinc/12/81/35/175128135.db2.gz RQYSYQBHSLASBH-ZNMIVQPWSA-N 1 0 254.418 2.408 10 0 CEAERO CC[NH2+][C@H](CN(CC)CCOC)c1ccc(OC)cc1 ZINC000043968642 175129613 /nfs/dbraw/zinc/12/96/13/175129613.db2.gz QKXAEUXDXAHGLJ-MRXNPFEDSA-N 1 0 280.412 2.314 10 0 CEAERO C[NH2+][C@H]1CCCCCC[C@H]1N(CCOC)C1CC1 ZINC000043969655 175130451 /nfs/dbraw/zinc/13/04/51/175130451.db2.gz AWIMRAFNVOQYOI-LSDHHAIUSA-N 1 0 254.418 2.408 10 0 CEAERO C[NH2+][C@@H](CN(CCOC)C1CC1)c1ccccc1OC ZINC000043969645 175130849 /nfs/dbraw/zinc/13/08/49/175130849.db2.gz XKZPWHLDWUBKMV-HNNXBMFYSA-N 1 0 278.396 2.067 10 0 CEAERO CC[NH2+][C@@H](CN(CCOC)C1CC1)c1cccc(OC)c1 ZINC000043969956 175131025 /nfs/dbraw/zinc/13/10/25/175131025.db2.gz BVLYUQQGRBBUQI-KRWDZBQOSA-N 1 0 292.423 2.457 10 0 CEAERO CCC[C@@H]([NH2+]C)[C@@H](CC)N(CCCOC)CCOC ZINC000043970913 175131722 /nfs/dbraw/zinc/13/17/22/175131722.db2.gz ROEQHZXISHVCCK-HUUCEWRRSA-N 1 0 274.449 2.138 10 0 CEAERO CCC[NH2+][C@H](CC)[C@@H](C)N(CCCOC)CCOC ZINC000043971082 175132081 /nfs/dbraw/zinc/13/20/81/175132081.db2.gz MMQQYFFBRJIJRD-HUUCEWRRSA-N 1 0 274.449 2.138 10 0 CEAERO C[NH2+][C@H]1CCCc2cc(OCCC(=O)N(C)C)ccc21 ZINC000044745158 175241573 /nfs/dbraw/zinc/24/15/73/175241573.db2.gz XOEUKEVKASLUTI-HNNXBMFYSA-N 1 0 276.380 2.141 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]CC[C@@H](COC)OC)c1C ZINC000658081199 415196732 /nfs/dbraw/zinc/19/67/32/415196732.db2.gz BKMLAWKJYFKPTA-RISCZKNCSA-N 1 0 283.416 2.222 10 0 CEAERO CC(C)N(Cc1ccccc1)C(=O)C1(C[NH3+])CCOCC1 ZINC000044762236 175246386 /nfs/dbraw/zinc/24/63/86/175246386.db2.gz GNUSELRVEAUVRX-UHFFFAOYSA-N 1 0 290.407 2.179 10 0 CEAERO CCC(CC)(C[NH3+])C(=O)N[C@H](C)Cc1ccco1 ZINC000044763623 175247406 /nfs/dbraw/zinc/24/74/06/175247406.db2.gz GTYGUSDMHMXZJQ-LLVKDONJSA-N 1 0 252.358 2.092 10 0 CEAERO CC[C@H](C)N(CCOC)C(=O)C(CC)(CC)C[NH3+] ZINC000044764125 175248346 /nfs/dbraw/zinc/24/83/46/175248346.db2.gz GFICEKFIPOYMOI-LBPRGKRZSA-N 1 0 258.406 2.025 10 0 CEAERO [NH3+]CC1(C(=O)N2CCO[C@H]3CCCC[C@H]32)CCCCCC1 ZINC000044764354 175248758 /nfs/dbraw/zinc/24/87/58/175248758.db2.gz USXDQNXOGRVWBX-CABCVRRESA-N 1 0 294.439 2.456 10 0 CEAERO CC[NH+](CC)CCCNC(=O)C1(C(N)=S)CCCCC1 ZINC000044772753 175250614 /nfs/dbraw/zinc/25/06/14/175250614.db2.gz NAQRBQFTBNFHQS-UHFFFAOYSA-N 1 0 299.484 2.071 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000044797985 175254574 /nfs/dbraw/zinc/25/45/74/175254574.db2.gz YRWVJCRBAWVQDM-SNVBAGLBSA-N 1 0 296.367 2.026 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)Nc1ccccc1OC(F)F ZINC000044800140 175255726 /nfs/dbraw/zinc/25/57/26/175255726.db2.gz ZRRREZKEAHPSCQ-QMMMGPOBSA-N 1 0 258.268 2.211 10 0 CEAERO CC[C@H](C)N(CC)C(=O)[C@H](C[NH3+])Cc1ccccc1 ZINC000044800646 175255814 /nfs/dbraw/zinc/25/58/14/175255814.db2.gz UCZYTBPMQUYEEH-ZFWWWQNUSA-N 1 0 262.397 2.451 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)N(C)Cc1cccc(OC)c1 ZINC000044804115 175256050 /nfs/dbraw/zinc/25/60/50/175256050.db2.gz AMZDBLASGWYHTC-ZDUSSCGKSA-N 1 0 264.369 2.029 10 0 CEAERO CC[C@@H](C)N(CCOC)C(=O)[C@H](C[NH3+])Cc1ccccc1 ZINC000044807643 175256850 /nfs/dbraw/zinc/25/68/50/175256850.db2.gz ABBHHUGVLICEPA-ZBFHGGJFSA-N 1 0 292.423 2.078 10 0 CEAERO CCN(C(=O)[C@H](C[NH3+])C(C)C)c1cccc(F)c1 ZINC000044931128 175279765 /nfs/dbraw/zinc/27/97/65/175279765.db2.gz JITVJPSTPARKME-CYBMUJFWSA-N 1 0 252.333 2.410 10 0 CEAERO C[C@H](CN1C(=S)N=NC1C1CC1)[NH+]1CCCCC1 ZINC000045005121 175288207 /nfs/dbraw/zinc/28/82/07/175288207.db2.gz DUUWINWHBFSCQZ-SNVBAGLBSA-N 1 0 266.414 2.319 10 0 CEAERO Cc1cc(CNC(=O)Nc2ccc([C@@H](C)[NH3+])cc2)on1 ZINC000045015763 175291153 /nfs/dbraw/zinc/29/11/53/175291153.db2.gz RKBWCULEXGDFAB-SNVBAGLBSA-N 1 0 274.324 2.324 10 0 CEAERO CC1(NC(=O)COc2ccc(C[NH3+])cc2)CCCCC1 ZINC000045036226 175294375 /nfs/dbraw/zinc/29/43/75/175294375.db2.gz IQELPXDQBGNFAR-UHFFFAOYSA-N 1 0 276.380 2.363 10 0 CEAERO CC(C)c1ccc(C[NH2+]C2CCN(C(N)=O)CC2)cc1 ZINC000045041477 175295178 /nfs/dbraw/zinc/29/51/78/175295178.db2.gz ZPVRFQCZAWRKKA-UHFFFAOYSA-N 1 0 275.396 2.443 10 0 CEAERO CN1CCC(CN)([N@@H+]2CCC[C@@H]2C2CCCC2)CC1 ZINC000045071271 175301205 /nfs/dbraw/zinc/30/12/05/175301205.db2.gz IRHOUFBIFCIUTK-OAHLLOKOSA-N 1 0 265.445 2.064 10 0 CEAERO O=C([C@@H]1CCCC[NH2+]1)N1CCC[C@H]1C1CCCC1 ZINC000045088277 175304060 /nfs/dbraw/zinc/30/40/60/175304060.db2.gz RIDPXMVTWJXVAR-KBPBESRZSA-N 1 0 250.386 2.310 10 0 CEAERO CN(CC(C)(C)C)C(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000045087900 175304400 /nfs/dbraw/zinc/30/44/00/175304400.db2.gz APFYUOCHZKFNAR-RWMBFGLXSA-N 1 0 252.402 2.412 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC000045171956 175321577 /nfs/dbraw/zinc/32/15/77/175321577.db2.gz KGQRRRDPDMFBHQ-MFKMUULPSA-N 1 0 251.374 2.114 10 0 CEAERO Cc1nn(C)c(C)c1[C@H](C)[NH2+]C[C@H]1CCCOC1 ZINC000045171962 175321618 /nfs/dbraw/zinc/32/16/18/175321618.db2.gz KGQRRRDPDMFBHQ-GXFFZTMASA-N 1 0 251.374 2.114 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]CCn2ccnc2)c1C ZINC000045172257 175321977 /nfs/dbraw/zinc/32/19/77/175321977.db2.gz JFKBGIVMECKLFF-LLVKDONJSA-N 1 0 261.373 2.067 10 0 CEAERO CCCC[N@H+](CC)C[C@@](N)(C(=O)OC)c1ccccc1 ZINC000045223206 175331348 /nfs/dbraw/zinc/33/13/48/175331348.db2.gz DLRDMZYGCWAONE-INIZCTEOSA-N 1 0 278.396 2.136 10 0 CEAERO CCCC[N@H+](CC)CC[C@@](C)(NCC)C(=O)OCC ZINC000045223395 175331678 /nfs/dbraw/zinc/33/16/78/175331678.db2.gz VYYTVAGKLIXXFC-OAHLLOKOSA-N 1 0 272.433 2.430 10 0 CEAERO CCCC[N@H+](CC)CC[C@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000045223354 175331706 /nfs/dbraw/zinc/33/17/06/175331706.db2.gz GENGBMVDRRZLLB-AWEZNQCLSA-N 1 0 256.390 2.094 10 0 CEAERO CCOC(=O)[C@](C)(C[N@H+](CC)C1CCCCC1)NC ZINC000045224037 175332179 /nfs/dbraw/zinc/33/21/79/175332179.db2.gz IYFATDJPDRNXQF-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CN[C@](C[NH+]1CCC(C)CC1)(C(=O)OC)c1ccccc1 ZINC000045225332 175333043 /nfs/dbraw/zinc/33/30/43/175333043.db2.gz KSQFHSFZKZIWCP-KRWDZBQOSA-N 1 0 290.407 2.006 10 0 CEAERO CC[NH+](CC)C[C@](NC(C)C)(C(=O)OC)c1ccccc1 ZINC000045226516 175333518 /nfs/dbraw/zinc/33/35/18/175333518.db2.gz BHTPTOOHZXZDIK-QGZVFWFLSA-N 1 0 292.423 2.395 10 0 CEAERO CCC[NH2+][C@](C)(CC[NH+](CCC)CCC)C(=O)[O-] ZINC000045230405 175335190 /nfs/dbraw/zinc/33/51/90/175335190.db2.gz AWSRTJDZJPTGPM-CQSZACIVSA-N 1 0 258.406 2.341 10 0 CEAERO CC[NH2+][C@@](C)(CC[NH+]1[C@@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000045231857 175335444 /nfs/dbraw/zinc/33/54/44/175335444.db2.gz ALZZIFAZGISVAL-OBJOEFQTSA-N 1 0 256.390 2.092 10 0 CEAERO CCCN[C@@](C)(CC[N@H+](C)CC(C)C)C(=O)OCC ZINC000045263690 175337509 /nfs/dbraw/zinc/33/75/09/175337509.db2.gz LZQHXGDJWRLCDO-HNNXBMFYSA-N 1 0 272.433 2.286 10 0 CEAERO CCOC(=O)[C@@](C[N@H+](C)CC)(NC1CC1)c1ccccc1 ZINC000045264652 175338202 /nfs/dbraw/zinc/33/82/02/175338202.db2.gz AWCXNZWDNFUHIP-KRWDZBQOSA-N 1 0 290.407 2.149 10 0 CEAERO CCCN[C@](C[N@H+](C)C1CC1)(C(=O)OC)c1ccccc1 ZINC000045265025 175338354 /nfs/dbraw/zinc/33/83/54/175338354.db2.gz HEEIKFOARYPQMU-KRWDZBQOSA-N 1 0 290.407 2.149 10 0 CEAERO CCC[NH2+][C@@](C)(CC[N@H+](CCC)C1CC1)C(=O)[O-] ZINC000045267940 175339685 /nfs/dbraw/zinc/33/96/85/175339685.db2.gz VSUGHNMDJNNKIB-AWEZNQCLSA-N 1 0 256.390 2.094 10 0 CEAERO CCC[N@H+](C[C@](NC)(C(=O)OC)c1ccccc1)C1CC1 ZINC000045267789 175339906 /nfs/dbraw/zinc/33/99/06/175339906.db2.gz NYAKXSHYYWOQLO-QGZVFWFLSA-N 1 0 290.407 2.149 10 0 CEAERO CCC[N@H+](CC)C[C@](NC)(C(=O)OCC)c1ccccc1 ZINC000045267445 175340067 /nfs/dbraw/zinc/34/00/67/175340067.db2.gz LJFQCQLRMDPXHF-QGZVFWFLSA-N 1 0 292.423 2.396 10 0 CEAERO CC(C)[NH2+][C@@](C)(CC[N@H+](C)[C@@H](C)C(C)C)C(=O)[O-] ZINC000045269908 175341339 /nfs/dbraw/zinc/34/13/39/175341339.db2.gz BWBXJVXUAHABCZ-JSGCOSHPSA-N 1 0 258.406 2.194 10 0 CEAERO CCN[C@](C)(CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)OC ZINC000045272157 175343147 /nfs/dbraw/zinc/34/31/47/175343147.db2.gz MHWCMBAGCQYJAT-ZMSDIMECSA-N 1 0 296.455 2.430 10 0 CEAERO CCOC(=O)[C@@](C)(CC[N@H+](C)[C@@H](C)C(C)(C)C)NC ZINC000045274806 175345053 /nfs/dbraw/zinc/34/50/53/175345053.db2.gz XMEVNEPIKAKBIX-SWLSCSKDSA-N 1 0 272.433 2.284 10 0 CEAERO CCC[N@H+](CC1CC1)C[C@@](C)(NC(C)C)C(=O)OCC ZINC000045276847 175346570 /nfs/dbraw/zinc/34/65/70/175346570.db2.gz WOMIIPTYNGFGFT-MRXNPFEDSA-N 1 0 284.444 2.428 10 0 CEAERO CCC[N@H+](CC[C@](C)(NC(C)C)C(=O)OC)CC1CC1 ZINC000045276935 175346680 /nfs/dbraw/zinc/34/66/80/175346680.db2.gz BPCQUUISRZARDX-INIZCTEOSA-N 1 0 284.444 2.428 10 0 CEAERO CCCCC[N@H+](CC[C@](C)([NH2+]C)C(=O)[O-])C(C)C ZINC000045278598 175348495 /nfs/dbraw/zinc/34/84/95/175348495.db2.gz JABSONZFTOSQOE-AWEZNQCLSA-N 1 0 258.406 2.340 10 0 CEAERO CCN[C@@](C)(C[N@H+](CC1CC1)C(C)C)C(=O)OCC ZINC000045280971 175351035 /nfs/dbraw/zinc/35/10/35/175351035.db2.gz CVYLQNVVBOFLSX-HNNXBMFYSA-N 1 0 270.417 2.038 10 0 CEAERO CCCN[C@@](C)(C[NH+]1CCC(CC)CC1)C(=O)OCC ZINC000045281388 175351644 /nfs/dbraw/zinc/35/16/44/175351644.db2.gz PTVXSZBYUQTPII-INIZCTEOSA-N 1 0 284.444 2.430 10 0 CEAERO CCCC[N@H+](C)CCCC[C@@](C)(NC)C(=O)OC ZINC000045368214 175363126 /nfs/dbraw/zinc/36/31/26/175363126.db2.gz KIPOLCKXNXCIMP-CQSZACIVSA-N 1 0 258.406 2.040 10 0 CEAERO CC[NH2+][C@@](C)(CCCN1c2ccccc2C[C@@H]1C)C(N)=O ZINC000045369094 175363793 /nfs/dbraw/zinc/36/37/93/175363793.db2.gz BUDVXMRXIFSMDE-GUYCJALGSA-N 1 0 289.423 2.071 10 0 CEAERO COC(=O)[C@@](C)([NH3+])CCCCN1CCc2ccccc21 ZINC000045372711 175365160 /nfs/dbraw/zinc/36/51/60/175365160.db2.gz IXBMFVNZLSVFEG-INIZCTEOSA-N 1 0 276.380 2.110 10 0 CEAERO CCC[NH+](CCC)CCC[C@@](C)(NC)C(=O)OCC ZINC000045378602 175367350 /nfs/dbraw/zinc/36/73/50/175367350.db2.gz YAEXVJADBVIDHP-OAHLLOKOSA-N 1 0 272.433 2.430 10 0 CEAERO CC[NH2+][C@](C)(CCCC[NH+]1CCCCC1)C(=O)[O-] ZINC000045378213 175367607 /nfs/dbraw/zinc/36/76/07/175367607.db2.gz FRGVRMYXVTYAKZ-CQSZACIVSA-N 1 0 256.390 2.095 10 0 CEAERO CCCC[NH+](CCCC)C[C@H](NCCC)C(=O)OC ZINC000045380519 175368832 /nfs/dbraw/zinc/36/88/32/175368832.db2.gz ZIJLRHWEOKQFSF-AWEZNQCLSA-N 1 0 272.433 2.430 10 0 CEAERO CCCN[C@](C)(CCC[N@H+](C)[C@@H](C)CC)C(=O)OC ZINC000045381438 175369753 /nfs/dbraw/zinc/36/97/53/175369753.db2.gz WAFXBZCEDYCUGM-DZGCQCFKSA-N 1 0 272.433 2.428 10 0 CEAERO CCC[NH2+][C@](C)(CCC[N@H+](C)[C@@H](C)CC)C(=O)[O-] ZINC000045381365 175369771 /nfs/dbraw/zinc/36/97/71/175369771.db2.gz LORNRYOIIJRHND-GXTWGEPZSA-N 1 0 258.406 2.340 10 0 CEAERO CC[NH2+][C@@](C)(CCCC[N@H+](C)[C@@H](C)CC)C(=O)[O-] ZINC000045381225 175369891 /nfs/dbraw/zinc/36/98/91/175369891.db2.gz UFFMDXMSUPSEBC-JSGCOSHPSA-N 1 0 258.406 2.340 10 0 CEAERO CCC[NH2+][C@@](C)(CCCC[N@H+](C)CCC)C(=O)[O-] ZINC000045382104 175369930 /nfs/dbraw/zinc/36/99/30/175369930.db2.gz MQQWZAGOSXYJTL-AWEZNQCLSA-N 1 0 258.406 2.341 10 0 CEAERO CCCN[C@@](C)(CCC[N@H+](C)[C@@H](C)CC)C(=O)OC ZINC000045381436 175370231 /nfs/dbraw/zinc/37/02/31/175370231.db2.gz WAFXBZCEDYCUGM-ZFWWWQNUSA-N 1 0 272.433 2.428 10 0 CEAERO CCCN[C@](C)(CCC[N@H+](C)CCC)C(=O)OC ZINC000045382371 175371499 /nfs/dbraw/zinc/37/14/99/175371499.db2.gz BQQROJSUWKEJCL-CQSZACIVSA-N 1 0 258.406 2.040 10 0 CEAERO CCCCC[N@H+](C)C[C@H](NCCC)C(=O)OCC ZINC000045387826 175373596 /nfs/dbraw/zinc/37/35/96/175373596.db2.gz VFQSPKUACPGKHE-ZDUSSCGKSA-N 1 0 258.406 2.040 10 0 CEAERO CCOC(=O)[C@@H](C[N@H+](CC)C1CCCC1)NC(C)C ZINC000045390371 175374572 /nfs/dbraw/zinc/37/45/72/175374572.db2.gz YHSURFGDWOZFEQ-CQSZACIVSA-N 1 0 270.417 2.181 10 0 CEAERO COC(=O)[C@@](C)([NH3+])CCCCN(CC(F)(F)F)C1CC1 ZINC000045420706 175379176 /nfs/dbraw/zinc/37/91/76/175379176.db2.gz PFRMPXQYLURPIP-LBPRGKRZSA-N 1 0 296.333 2.074 10 0 CEAERO CCc1ccc([C@H](C)[NH2+]C[C@@H]2CC(=O)N(C)C2)s1 ZINC000658243474 415277947 /nfs/dbraw/zinc/27/79/47/415277947.db2.gz DKKJLLXYZKFSBP-QWRGUYRKSA-N 1 0 266.410 2.439 10 0 CEAERO COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000658246337 415281494 /nfs/dbraw/zinc/28/14/94/415281494.db2.gz YMHWZTXBRMVVEL-CHWSQXEVSA-N 1 0 276.380 2.133 10 0 CEAERO C[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@H](O)C2)[C@@H]1CCO ZINC000661498555 415294561 /nfs/dbraw/zinc/29/45/61/415294561.db2.gz LXZRZGXBQRVUNL-APIJFGDWSA-N 1 0 255.402 2.020 10 0 CEAERO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCC[C@H](OC3CCC3)C2)C1 ZINC000655495176 415305971 /nfs/dbraw/zinc/30/59/71/415305971.db2.gz LAVJRGAZLKJNBB-GUTXKFCHSA-N 1 0 280.412 2.064 10 0 CEAERO C[C@@H](NC(=O)[C@@]1(C)CCC[NH2+]1)C1CCC(F)(F)CC1 ZINC000655524763 415324987 /nfs/dbraw/zinc/32/49/87/415324987.db2.gz BSPGQGHXMWOOKB-ZWNOBZJWSA-N 1 0 274.355 2.459 10 0 CEAERO Cc1cc(C)cc(CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000659344704 415533975 /nfs/dbraw/zinc/53/39/75/415533975.db2.gz ANRYTUWHPYJBPI-CABCVRRESA-N 1 0 260.381 2.295 10 0 CEAERO CCC[C@@H]1C[C@H]([NH2+]CCC(=O)N(CC)CC)CCO1 ZINC000070357246 175888429 /nfs/dbraw/zinc/88/84/29/175888429.db2.gz FFCPWBLNGJAEFF-ZIAGYGMSSA-N 1 0 270.417 2.182 10 0 CEAERO COc1cc([C@@H](O)[C@H]2C[C@@H](C)CC[NH2+]2)cc(OC)c1OC ZINC000070399091 175909855 /nfs/dbraw/zinc/90/98/55/175909855.db2.gz OHFSMECAICMEEO-JVLSTEMRSA-N 1 0 295.379 2.134 10 0 CEAERO CC[NH2+][C@@H](Cc1cccs1)Cc1cccnc1N ZINC000070407422 175913673 /nfs/dbraw/zinc/91/36/73/175913673.db2.gz NNFQVDMFDPHCLN-GFCCVEGCSA-N 1 0 261.394 2.489 10 0 CEAERO C[NH2+]Cc1ccc(S(=O)(=O)N2CCCCC[C@H]2C)cc1 ZINC000070411212 175914771 /nfs/dbraw/zinc/91/47/71/175914771.db2.gz OZICXGRWAAUATA-CYBMUJFWSA-N 1 0 296.436 2.359 10 0 CEAERO Cc1nc([C@@H]2C[C@H]3CC[C@@H]2O3)[nH+]c(NN)c1C(C)C ZINC000070428331 175924052 /nfs/dbraw/zinc/92/40/52/175924052.db2.gz QYXUXPAOYKNCBE-MXWKQRLJSA-N 1 0 262.357 2.229 10 0 CEAERO COCCC[NH2+]C[C@H](C)n1cc(C(F)(F)F)cn1 ZINC000070467976 175947975 /nfs/dbraw/zinc/94/79/75/175947975.db2.gz DABYUTGYNBXZOG-VIFPVBQESA-N 1 0 265.279 2.089 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(OCCOCCOC)cc1 ZINC000070480340 175952237 /nfs/dbraw/zinc/95/22/37/175952237.db2.gz HAYBNFHCJVVVCP-LBPRGKRZSA-N 1 0 253.342 2.009 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(OCCOCCOC)c(OC)c1 ZINC000070480346 175952250 /nfs/dbraw/zinc/95/22/50/175952250.db2.gz VBJKLDVECJBMIV-LBPRGKRZSA-N 1 0 283.368 2.017 10 0 CEAERO C[NH2+]C[C@@H](CCOCCOC)Cc1ccccc1 ZINC000070483051 175953571 /nfs/dbraw/zinc/95/35/71/175953571.db2.gz XBAGFAVLWGDFNY-HNNXBMFYSA-N 1 0 251.370 2.118 10 0 CEAERO CCC[NH2+][C@@](C)(CO)CCCn1cc(C(F)(F)F)cn1 ZINC000070515752 175964557 /nfs/dbraw/zinc/96/45/57/175964557.db2.gz AUUCMBHWONNCTG-GFCCVEGCSA-N 1 0 293.333 2.433 10 0 CEAERO CC[NH2+][C@@](CO)(COc1cccc2cccnc21)C1CC1 ZINC000070517791 175966113 /nfs/dbraw/zinc/96/61/13/175966113.db2.gz PYDQWRDYRMEHAK-KRWDZBQOSA-N 1 0 286.375 2.364 10 0 CEAERO CCC[NH2+]C[C@@H](C)Cn1ncc2ccccc2c1=O ZINC000070526609 175970985 /nfs/dbraw/zinc/97/09/85/175970985.db2.gz ODZKQPQQKRAKSO-GFCCVEGCSA-N 1 0 259.353 2.032 10 0 CEAERO COc1ccc2cc([C@@H]3C[C@]3(C[NH3+])CO)ccc2c1 ZINC000070553446 175982192 /nfs/dbraw/zinc/98/21/92/175982192.db2.gz DSGPZSFFZKWNRR-HOTGVXAUSA-N 1 0 257.333 2.273 10 0 CEAERO Cc1ccc(CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1F ZINC000070574190 175989647 /nfs/dbraw/zinc/98/96/47/175989647.db2.gz YICUPAPUGQFHOS-STQMWFEESA-N 1 0 264.344 2.268 10 0 CEAERO COC(=O)c1cc(C)ccc1NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000070574631 175990025 /nfs/dbraw/zinc/99/00/25/175990025.db2.gz XOEXIRLWIJOIKO-VXGBXAGGSA-N 1 0 290.363 2.238 10 0 CEAERO [NH3+]Cc1ccn(Cc2ccc(F)c(Br)c2)n1 ZINC000070708187 176002328 /nfs/dbraw/zinc/00/23/28/176002328.db2.gz ZZHJLRNCIPOBSG-UHFFFAOYSA-N 1 0 284.132 2.292 10 0 CEAERO COc1ccc([C@H](CNC(=O)c2ccc[nH]2)[NH+](C)C)cc1 ZINC000070877839 176009679 /nfs/dbraw/zinc/00/96/79/176009679.db2.gz OOHPMFQVMCGJHV-HNNXBMFYSA-N 1 0 287.363 2.056 10 0 CEAERO Cc1ncc(CNC2=[NH+]C[C@H](C3CC3)S2)s1 ZINC000070888430 176009923 /nfs/dbraw/zinc/00/99/23/176009923.db2.gz ZYBPGLOMMBGJAI-SNVBAGLBSA-N 1 0 253.396 2.423 10 0 CEAERO [NH3+][C@H]1CCC(=O)N(C2CC2)[C@H]1c1c(F)cccc1F ZINC000070987296 176018297 /nfs/dbraw/zinc/01/82/97/176018297.db2.gz OZVBJVISSQVGKD-SMDDNHRTSA-N 1 0 266.291 2.118 10 0 CEAERO Cc1ccsc1[C@H]1[C@@H]([NH3+])CCC(=O)N1C1CC1 ZINC000070987144 176018562 /nfs/dbraw/zinc/01/85/62/176018562.db2.gz CVTHJJQLGDCGAN-CMPLNLGQSA-N 1 0 250.367 2.210 10 0 CEAERO Cc1cc([C@H]2[C@@H]([NH3+])CCC(=O)N2C2CC2)ccc1F ZINC000070987445 176018634 /nfs/dbraw/zinc/01/86/34/176018634.db2.gz JGJHLRYMKDCCFI-ZFWWWQNUSA-N 1 0 262.328 2.287 10 0 CEAERO NC(=O)N1CCC([NH2+]Cc2ccc(Cl)s2)CC1 ZINC000070988986 176019021 /nfs/dbraw/zinc/01/90/21/176019021.db2.gz BDHAMIPTYWSWBA-UHFFFAOYSA-N 1 0 273.789 2.034 10 0 CEAERO C[NH2+][C@H](C)C(=O)Nc1ccc(C)c(Br)c1 ZINC000070994174 176020009 /nfs/dbraw/zinc/02/00/09/176020009.db2.gz WINFFEKEDQGHJD-MRVPVSSYSA-N 1 0 271.158 2.304 10 0 CEAERO C[C@H](c1ccc(F)cc1)N1CC[C@@H]([NH2+]C2CC2)C1=O ZINC000071032080 176022938 /nfs/dbraw/zinc/02/29/38/176022938.db2.gz AYTXKWMBKAMEGM-QMTHXVAHSA-N 1 0 262.328 2.240 10 0 CEAERO COc1ccc(Cl)c(N2CC[C@@H]([NH2+]C(C)C)C2=O)c1 ZINC000071031616 176023285 /nfs/dbraw/zinc/02/32/85/176023285.db2.gz BLYGGRNPPYKDOH-GFCCVEGCSA-N 1 0 282.771 2.452 10 0 CEAERO CCC[NH2+][C@H]1CCCN(c2nc(C)c(C)s2)C1=O ZINC000071037170 176025782 /nfs/dbraw/zinc/02/57/82/176025782.db2.gz TXGJMNVTRQEBDR-NSHDSACASA-N 1 0 267.398 2.255 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCN1c1cc(Cl)ccc1F ZINC000071039906 176026983 /nfs/dbraw/zinc/02/69/83/176026983.db2.gz GIYCPEDLOHOYNW-NSHDSACASA-N 1 0 268.719 2.336 10 0 CEAERO Cc1ccc(F)c(N2CC[C@@H]([NH2+]C(C)C)C2=O)c1 ZINC000071039066 176027325 /nfs/dbraw/zinc/02/73/25/176027325.db2.gz XMWIQDNBIUGEEB-GFCCVEGCSA-N 1 0 250.317 2.237 10 0 CEAERO CC(C)[NH2+][C@H]1CCN(c2cc(F)c(F)c(F)c2)C1=O ZINC000071042871 176029278 /nfs/dbraw/zinc/02/92/78/176029278.db2.gz VASVCHCCZSHDEA-NSHDSACASA-N 1 0 272.270 2.207 10 0 CEAERO Cc1nccc(C[NH2+]C[C@@H]2OCCc3ccccc32)n1 ZINC000071090745 176031140 /nfs/dbraw/zinc/03/11/40/176031140.db2.gz MFEMUEKHYQQBDU-INIZCTEOSA-N 1 0 269.348 2.189 10 0 CEAERO C[C@H](CN1CCCC1)[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000071090855 176031180 /nfs/dbraw/zinc/03/11/80/176031180.db2.gz CCONAKFKXOXOET-PBHICJAKSA-N 1 0 274.408 2.374 10 0 CEAERO CC(C)CN(CC[NH3+])C[C@H]1OCCc2ccccc21 ZINC000071091576 176032230 /nfs/dbraw/zinc/03/22/30/176032230.db2.gz SXNWJQAYPZQBOR-MRXNPFEDSA-N 1 0 262.397 2.217 10 0 CEAERO C[C@@H]([NH3+])Cc1nccn1C[C@H]1OCCc2ccccc21 ZINC000071099238 176032929 /nfs/dbraw/zinc/03/29/29/176032929.db2.gz JPUCSVTXMAMGGX-IUODEOHRSA-N 1 0 271.364 2.087 10 0 CEAERO CCOC(=O)[C@]1(N2CCC[NH2+]CC2)CCC[C@H](CC)C1 ZINC000071125785 176035848 /nfs/dbraw/zinc/03/58/48/176035848.db2.gz LCLMWGYXFMJEEU-HOCLYGCPSA-N 1 0 282.428 2.184 10 0 CEAERO C[NH2+]C[C@H]1CCN(C(=O)c2cc(Cl)cn2C2CC2)C1 ZINC000071143277 176040843 /nfs/dbraw/zinc/04/08/43/176040843.db2.gz DKHBAPOOUIURHI-SNVBAGLBSA-N 1 0 281.787 2.158 10 0 CEAERO C[C@@H]1CCC[C@H]([NH+]2CCN(C(C)(C)C(N)=S)CC2)C1 ZINC000071148292 176044053 /nfs/dbraw/zinc/04/40/53/176044053.db2.gz SKGSLTRGDRHGNU-OLZOCXBDSA-N 1 0 283.485 2.247 10 0 CEAERO CC[C@H]1CCCC[C@@]1(C[NH3+])N1CCOCC1(C)C ZINC000071161811 176046057 /nfs/dbraw/zinc/04/60/57/176046057.db2.gz BUXHJWXUGOMJOS-ZFWWWQNUSA-N 1 0 254.418 2.395 10 0 CEAERO CC[C@@H]1CCCC[C@]1(CN)[NH+]1CCC(OC)CC1 ZINC000071161614 176046707 /nfs/dbraw/zinc/04/67/07/176046707.db2.gz QARDMHJSRKAIKG-UKRRQHHQSA-N 1 0 254.418 2.395 10 0 CEAERO [NH3+]C[C@H](Oc1cc(F)ccc1F)c1ccccn1 ZINC000071167111 176049328 /nfs/dbraw/zinc/04/93/28/176049328.db2.gz VNRKXJNEVINOMV-ZDUSSCGKSA-N 1 0 250.248 2.439 10 0 CEAERO COc1ccc(C[C@@](C)(CN)[N@@H+]2CC[C@H](C)C2)cc1 ZINC000071169157 176049779 /nfs/dbraw/zinc/04/97/79/176049779.db2.gz CFUAOZAZKCFCPE-BBRMVZONSA-N 1 0 262.397 2.297 10 0 CEAERO COCCC[NH2+]C[C@@H](C)Oc1cc(F)ccc1F ZINC000071168903 176049847 /nfs/dbraw/zinc/04/98/47/176049847.db2.gz HYCXKTIDFKCUDC-SNVBAGLBSA-N 1 0 259.296 2.358 10 0 CEAERO CC(C)Oc1cncc(N(CC[NH3+])Cc2ccccc2)n1 ZINC000071175842 176054676 /nfs/dbraw/zinc/05/46/76/176054676.db2.gz KYTWVXYVMDCSLR-UHFFFAOYSA-N 1 0 286.379 2.229 10 0 CEAERO Cc1ccc2[nH]c(Sc3cnc(C[NH3+])cn3)nc2c1 ZINC000071178569 176055794 /nfs/dbraw/zinc/05/57/94/176055794.db2.gz DVQJUTZTXVAICD-UHFFFAOYSA-N 1 0 271.349 2.271 10 0 CEAERO CCC[C@H]([NH2+][C@@H]1CCN(C)C1=O)c1cccs1 ZINC000071183724 176059116 /nfs/dbraw/zinc/05/91/16/176059116.db2.gz CPWHIOFFQGLCEK-WDEREUQCSA-N 1 0 252.383 2.410 10 0 CEAERO O=C1CCCCN1[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC000071187305 176060720 /nfs/dbraw/zinc/06/07/20/176060720.db2.gz IQEMXUUFEDBSGS-CYBMUJFWSA-N 1 0 250.386 2.454 10 0 CEAERO CN(Cc1ccc(Cl)cc1N)C[C@@H]1CC[N@H+](C)C1 ZINC000071187841 176061811 /nfs/dbraw/zinc/06/18/11/176061811.db2.gz DDBJUBGFVWGDTI-LLVKDONJSA-N 1 0 267.804 2.306 10 0 CEAERO CN(C[C@@H]1CC[N@H+](C)C1)c1c(N)cccc1Cl ZINC000071188433 176063099 /nfs/dbraw/zinc/06/30/99/176063099.db2.gz IMINIEAEVITOOL-SNVBAGLBSA-N 1 0 253.777 2.310 10 0 CEAERO CN(Cc1ccc(Cl)nc1)C[C@@H]1CC[N@H+](C)C1 ZINC000071189063 176064557 /nfs/dbraw/zinc/06/45/57/176064557.db2.gz BIWKJZCBHBUQDA-GFCCVEGCSA-N 1 0 253.777 2.119 10 0 CEAERO CN1CC[C@H](C[N@H+](C)C[C@@H]2CCCCCC2=O)C1 ZINC000071191216 176069995 /nfs/dbraw/zinc/06/99/95/176069995.db2.gz SXSJPILCKBNYFU-KBPBESRZSA-N 1 0 252.402 2.019 10 0 CEAERO CCNc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)cc1C ZINC000071193207 176075426 /nfs/dbraw/zinc/07/54/26/176075426.db2.gz HRXXPDJDCOSWRS-CQSZACIVSA-N 1 0 289.423 2.451 10 0 CEAERO CNc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)cc1C ZINC000071193205 176075473 /nfs/dbraw/zinc/07/54/73/176075473.db2.gz OMAJTKUSPJIAFA-CYBMUJFWSA-N 1 0 275.396 2.060 10 0 CEAERO CCNc1ccc(C)cc1C(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000071193204 176075615 /nfs/dbraw/zinc/07/56/15/176075615.db2.gz WZNIZGOBNOMJAX-AWEZNQCLSA-N 1 0 289.423 2.451 10 0 CEAERO Cc1noc2ncnc(N3CC[NH2+]Cc4ccccc43)c12 ZINC000071194741 176075796 /nfs/dbraw/zinc/07/57/96/176075796.db2.gz FYBPQKJNNUYROU-UHFFFAOYSA-N 1 0 281.319 2.168 10 0 CEAERO Cc1csc(CCN2CC[C@@H]([NH2+]C(C)C)C2)n1 ZINC000071200230 176077951 /nfs/dbraw/zinc/07/79/51/176077951.db2.gz BCGRGEQFQRQLIC-GFCCVEGCSA-N 1 0 253.415 2.066 10 0 CEAERO O=c1ccc(C(F)(F)F)cn1C[C@@H]1CCCC[NH2+]1 ZINC000071212037 176083744 /nfs/dbraw/zinc/08/37/44/176083744.db2.gz QAJFDWYGYZRCQG-JTQLQIEISA-N 1 0 260.259 2.009 10 0 CEAERO COCCN(CCC(N)=[NH2+])Cc1cc(Cl)ccc1OC ZINC000071228940 176090958 /nfs/dbraw/zinc/09/09/58/176090958.db2.gz HWOKNNBMYIZUKG-UHFFFAOYSA-N 1 0 299.802 2.123 10 0 CEAERO C[C@H]1CN(Cc2ccc(F)cc2C[NH3+])CC(C)(C)O1 ZINC000071263568 176096487 /nfs/dbraw/zinc/09/64/87/176096487.db2.gz PJSXULFSKSMIGJ-NSHDSACASA-N 1 0 266.360 2.284 10 0 CEAERO [NH3+]Cc1cc(F)ccc1COCCc1ccccn1 ZINC000071264240 176097541 /nfs/dbraw/zinc/09/75/41/176097541.db2.gz MVTJARBCUAJZFU-UHFFFAOYSA-N 1 0 260.312 2.439 10 0 CEAERO CC[C@@H](C)NC(=O)CCN1Cc2ccc(F)cc2C1=[NH2+] ZINC000071269094 176102602 /nfs/dbraw/zinc/10/26/02/176102602.db2.gz GYDQELLLMINDSR-SNVBAGLBSA-N 1 0 277.343 2.271 10 0 CEAERO CC[C@H](C)NC(=O)CCN1Cc2ccc(F)cc2C1=[NH2+] ZINC000071269096 176102746 /nfs/dbraw/zinc/10/27/46/176102746.db2.gz GYDQELLLMINDSR-JTQLQIEISA-N 1 0 277.343 2.271 10 0 CEAERO Cc1cnc(CN2Cc3ccc(F)cc3C2=[NH2+])cn1 ZINC000071269221 176102831 /nfs/dbraw/zinc/10/28/31/176102831.db2.gz IAUYHXCZSUYQJR-UHFFFAOYSA-N 1 0 256.284 2.265 10 0 CEAERO CCOC(=O)CCCCC[N@@H+]1CCC[C@@H](C(C)=O)C1 ZINC000071297663 176112894 /nfs/dbraw/zinc/11/28/94/176112894.db2.gz JKGDUWGJAIFKTM-CQSZACIVSA-N 1 0 269.385 2.411 10 0 CEAERO COc1ccc([C@@H](C)N(C)[C@@H]2CC[NH2+]C2)cc1F ZINC000071309697 176116687 /nfs/dbraw/zinc/11/66/87/176116687.db2.gz BTJKBCHALJITIV-ZYHUDNBSSA-N 1 0 252.333 2.189 10 0 CEAERO CCN(CCCOc1cccc(C)c1)[C@@H]1CC[NH2+]C1 ZINC000071313786 176120396 /nfs/dbraw/zinc/12/03/96/176120396.db2.gz HQZHASHRUDHXLF-OAHLLOKOSA-N 1 0 262.397 2.448 10 0 CEAERO CCN(CCOc1cc(C)cc(C)c1)[C@@H]1CC[NH2+]C1 ZINC000071313962 176120561 /nfs/dbraw/zinc/12/05/61/176120561.db2.gz STOFRZLIXHBWDV-OAHLLOKOSA-N 1 0 262.397 2.366 10 0 CEAERO CCN(c1nc2ccccc2nc1C)[C@@H]1CC[NH2+]C1 ZINC000071314268 176121148 /nfs/dbraw/zinc/12/11/48/176121148.db2.gz XKUNBGHUOKBSAO-GFCCVEGCSA-N 1 0 256.353 2.126 10 0 CEAERO CCCCN(CCCC)C(=O)CN(CCC)[C@@H]1CC[NH2+]C1 ZINC000071331471 176124738 /nfs/dbraw/zinc/12/47/38/176124738.db2.gz ZJCATUQLICYACQ-MRXNPFEDSA-N 1 0 297.487 2.489 10 0 CEAERO CC(C)CCOCC[NH2+]C1CN(C(=O)OC(C)(C)C)C1 ZINC000071335977 176127477 /nfs/dbraw/zinc/12/74/77/176127477.db2.gz XOZVCQSTOXNKEN-UHFFFAOYSA-N 1 0 286.416 2.258 10 0 CEAERO CCOc1ccccc1C(=O)NC[C@H]1[NH2+]CCC[C@@H]1C ZINC000071338486 176128632 /nfs/dbraw/zinc/12/86/32/176128632.db2.gz YKZWDDSSUWBBJQ-GXTWGEPZSA-N 1 0 276.380 2.203 10 0 CEAERO C[C@@H]1CCC[NH2+][C@H]1CNC(=O)c1ccccc1OC(F)F ZINC000071338638 176128920 /nfs/dbraw/zinc/12/89/20/176128920.db2.gz OTSPSOGNQWNGBM-PWSUYJOCSA-N 1 0 298.333 2.406 10 0 CEAERO C[C@@H]1CCC[NH2+][C@H]1CNC(=O)c1cccc(OC(F)F)c1 ZINC000071338742 176128963 /nfs/dbraw/zinc/12/89/63/176128963.db2.gz LMYQZOXPUKTUNC-MFKMUULPSA-N 1 0 298.333 2.406 10 0 CEAERO Cc1cccc(CCC(=O)NC[C@H]2[NH2+]CCC[C@H]2C)c1 ZINC000071338776 176129026 /nfs/dbraw/zinc/12/90/26/176129026.db2.gz BXYDJDUDOWFGQP-GDBMZVCRSA-N 1 0 274.408 2.432 10 0 CEAERO COc1ccc(C)cc1C(=O)NC[C@H]1[NH2+]CCC[C@H]1C ZINC000071338808 176129131 /nfs/dbraw/zinc/12/91/31/176129131.db2.gz YNAVCIWBRKLGHD-TZMCWYRMSA-N 1 0 276.380 2.122 10 0 CEAERO CC[C@H](C)[C@H]1CNC(C)(C)C[N@@H+]1CCCn1ccnc1 ZINC000071342527 176130288 /nfs/dbraw/zinc/13/02/88/176130288.db2.gz MLJBLLZFAFQSGL-LSDHHAIUSA-N 1 0 278.444 2.372 10 0 CEAERO COc1cccc(CN2C[C@H](C(C)(C)C)[NH2+]C[C@@H]2C)n1 ZINC000071346068 176131883 /nfs/dbraw/zinc/13/18/83/176131883.db2.gz LOYQCPPJTVCJHX-GXTWGEPZSA-N 1 0 277.412 2.299 10 0 CEAERO COCCOCCN1C[C@@H](C(C)(C)C)[NH2+]CC12CCCC2 ZINC000071348935 176132494 /nfs/dbraw/zinc/13/24/94/176132494.db2.gz VXMOJIGORKLMFP-HNNXBMFYSA-N 1 0 298.471 2.282 10 0 CEAERO CC(C)C[C@H]1CN(CCn2cccn2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000071352301 176134847 /nfs/dbraw/zinc/13/48/47/176134847.db2.gz NXDSZIWULITNLS-DLBZAZTESA-N 1 0 290.455 2.372 10 0 CEAERO CCCC1CC[NH+](CCCn2ccc(N)n2)CC1 ZINC000071352458 176135422 /nfs/dbraw/zinc/13/54/22/176135422.db2.gz KBEXULUXZOPTPU-UHFFFAOYSA-N 1 0 250.390 2.368 10 0 CEAERO COCCC[N@@H+]1C[C@H](Cc2ccccc2)NCC1(C)C ZINC000071353240 176135823 /nfs/dbraw/zinc/13/58/23/176135823.db2.gz HOXVOFIFZYVMBU-INIZCTEOSA-N 1 0 276.424 2.318 10 0 CEAERO CC[C@H](C)[C@H]1C[N@H+](CCCn2ccnc2)[C@@H](CC)CN1 ZINC000071353989 176136067 /nfs/dbraw/zinc/13/60/67/176136067.db2.gz MGXDSVSUSQJOLD-HRCADAONSA-N 1 0 278.444 2.372 10 0 CEAERO CC[C@H](C)[C@@H]1CN(CCn2ccnc2C)C(C)(C)C[NH2+]1 ZINC000071355743 176136517 /nfs/dbraw/zinc/13/65/17/176136517.db2.gz QSHALNGHVUVYJZ-ZFWWWQNUSA-N 1 0 278.444 2.290 10 0 CEAERO CC[C@H](C)[C@H]1CN[C@@](C)(CC)C[N@@H+]1CCn1cccn1 ZINC000071357099 176136536 /nfs/dbraw/zinc/13/65/36/176136536.db2.gz YAINVJPIFFXVLB-XHSDSOJGSA-N 1 0 278.444 2.372 10 0 CEAERO COCCOCCN1CC2(CCCC2)[NH2+]C[C@H]1C(C)(C)C ZINC000071358838 176137496 /nfs/dbraw/zinc/13/74/96/176137496.db2.gz RGURPBRKDHVZAU-HNNXBMFYSA-N 1 0 298.471 2.282 10 0 CEAERO CC[C@@]1(C)C[NH2+]C2(CCCC2)CN1CCOCCOC ZINC000071359039 176137519 /nfs/dbraw/zinc/13/75/19/176137519.db2.gz RFORRNHVFSMHHW-HNNXBMFYSA-N 1 0 284.444 2.036 10 0 CEAERO CC[C@H]1C[NH2+]C2(CCCCC2)CN1CCn1cccn1 ZINC000071359399 176138018 /nfs/dbraw/zinc/13/80/18/176138018.db2.gz GRFOOAQSWRKKCC-HNNXBMFYSA-N 1 0 276.428 2.270 10 0 CEAERO Cn1c(C[NH3+])nnc1SCc1csc(C(C)(C)C)n1 ZINC000071374012 176138861 /nfs/dbraw/zinc/13/88/61/176138861.db2.gz FYKXUYYAOMOPOG-UHFFFAOYSA-N 1 0 297.453 2.320 10 0 CEAERO CCn1c(C[NH3+])nnc1SCc1cccc(C)c1 ZINC000071374661 176140029 /nfs/dbraw/zinc/14/00/29/176140029.db2.gz AMIHYYPKCKOUHU-UHFFFAOYSA-N 1 0 262.382 2.357 10 0 CEAERO C[N@H+](CCn1ccc(N)n1)Cc1ccc(Cl)cc1 ZINC000071377995 176142632 /nfs/dbraw/zinc/14/26/32/176142632.db2.gz PWFDYTDIKMDPJR-UHFFFAOYSA-N 1 0 264.760 2.251 10 0 CEAERO C[N@H+](CCCc1ccccc1)CCn1ccc(N)n1 ZINC000071377937 176142857 /nfs/dbraw/zinc/14/28/57/176142857.db2.gz KDSVZHBEQYHDQO-UHFFFAOYSA-N 1 0 258.369 2.030 10 0 CEAERO Cc1nc(COc2ccc(C[NH3+])cc2C(F)(F)F)no1 ZINC000071398315 176151809 /nfs/dbraw/zinc/15/18/09/176151809.db2.gz QVOQHWVVAJZQJG-UHFFFAOYSA-N 1 0 287.241 2.435 10 0 CEAERO CC[NH2+]Cc1cc(C)ccc1OCCCC(=O)N(C)C ZINC000071403834 176155345 /nfs/dbraw/zinc/15/53/45/176155345.db2.gz PXZHCOQBTDRLHQ-UHFFFAOYSA-N 1 0 278.396 2.352 10 0 CEAERO C[NH2+]Cc1cc(C)ccc1O[C@@H](C)C(=O)N1CCCCC1 ZINC000071403701 176155499 /nfs/dbraw/zinc/15/54/99/176155499.db2.gz BFPWYDQGEAQMJO-AWEZNQCLSA-N 1 0 290.407 2.494 10 0 CEAERO CCC[NH2+]Cc1cc(C)ccc1O[C@H](C)C(=O)NC ZINC000071406333 176155910 /nfs/dbraw/zinc/15/59/10/176155910.db2.gz JLYSZBPKVOWJTJ-GFCCVEGCSA-N 1 0 264.369 2.008 10 0 CEAERO CCC[NH2+]Cc1cc(C)ccc1O[C@H](C)C(=O)OC ZINC000071406196 176156023 /nfs/dbraw/zinc/15/60/23/176156023.db2.gz DWDOOXCQVAONNJ-GFCCVEGCSA-N 1 0 265.353 2.435 10 0 CEAERO COC(=O)CCCOc1ccc(C)cc1C[C@@H](C)[NH3+] ZINC000071411645 176157200 /nfs/dbraw/zinc/15/72/00/176157200.db2.gz OZLHNJBEWXINCZ-GFCCVEGCSA-N 1 0 265.353 2.217 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc(C)ccc1OCC(=O)NCC1CC1 ZINC000071412291 176157611 /nfs/dbraw/zinc/15/76/11/176157611.db2.gz QZDMTHMEAZURTK-OAHLLOKOSA-N 1 0 290.407 2.180 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc(C)ccc1OCc1ncon1 ZINC000071412084 176157669 /nfs/dbraw/zinc/15/76/69/176157669.db2.gz FAYZOHBIHWHDQB-GFCCVEGCSA-N 1 0 261.325 2.237 10 0 CEAERO C[C@H]1CC[NH2+]C[C@@H]1N1C(=O)CC2(CCCCC2)CC1=O ZINC000071413302 176158562 /nfs/dbraw/zinc/15/85/62/176158562.db2.gz UXNASKAEZQTHCD-STQMWFEESA-N 1 0 278.396 2.084 10 0 CEAERO CSCCCC(=O)NCCCC[NH+]1CCCC1 ZINC000071541637 176195659 /nfs/dbraw/zinc/19/56/59/176195659.db2.gz JFNKMPGAQNEKMZ-UHFFFAOYSA-N 1 0 258.431 2.122 10 0 CEAERO [NH3+][C@H](CO)CCOc1ccc(-c2ccccc2)cc1 ZINC000071582474 176207437 /nfs/dbraw/zinc/20/74/37/176207437.db2.gz MFLNKEHSEXTVAW-HNNXBMFYSA-N 1 0 257.333 2.442 10 0 CEAERO C[C@@H](c1cc(Br)cs1)N1CC[NH2+]CC1 ZINC000071616037 176234891 /nfs/dbraw/zinc/23/48/91/176234891.db2.gz KKGPCUVWHBSWLN-QMMMGPOBSA-N 1 0 275.215 2.477 10 0 CEAERO C[C@@](O)(c1ccc2c(c1)OCCCO2)[C@H]1CCC[NH2+]C1 ZINC000071628233 176235999 /nfs/dbraw/zinc/23/59/99/176235999.db2.gz JXXFMDQTVFADFD-XJKSGUPXSA-N 1 0 277.364 2.055 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CCO[C@@H]1CC1(F)F ZINC000659996167 415836186 /nfs/dbraw/zinc/83/61/86/415836186.db2.gz YGGRQJIWFMWAHJ-MGPQQGTHSA-N 1 0 288.382 2.359 10 0 CEAERO Cc1cnc(N2CCC([C@H]3CCC[NH2+]C3)CC2)nc1C ZINC000656607702 415782354 /nfs/dbraw/zinc/78/23/54/415782354.db2.gz FPZDBCWREUCLPA-HNNXBMFYSA-N 1 0 274.412 2.309 10 0 CEAERO CC[C@H]([NH2+]C)C(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000662346944 415793987 /nfs/dbraw/zinc/79/39/87/415793987.db2.gz GDPPKZDASQAWNH-UFBFGSQYSA-N 1 0 256.296 2.140 10 0 CEAERO CC(C)[C@H](C)NC(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662348961 415796267 /nfs/dbraw/zinc/79/62/67/415796267.db2.gz YZKYZOGNQCLILP-VIFPVBQESA-N 1 0 252.383 2.168 10 0 CEAERO CCCCOC[C@H](O)C[NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000656708258 415826860 /nfs/dbraw/zinc/82/68/60/415826860.db2.gz BYAQGPXTVUCLCK-BARDWOONSA-N 1 0 255.402 2.190 10 0 CEAERO C[C@@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000662536892 415878499 /nfs/dbraw/zinc/87/84/99/415878499.db2.gz SMGRMPLJCZUCPY-HLUHBDAQSA-N 1 0 297.196 2.364 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@@H](OC)C1CCC1 ZINC000660108875 415885655 /nfs/dbraw/zinc/88/56/55/415885655.db2.gz HIFDUKMDZZCWBP-OWCLPIDISA-N 1 0 266.429 2.360 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CCC(C2CCC2)CC1 ZINC000662630509 415911701 /nfs/dbraw/zinc/91/17/01/415911701.db2.gz KTIGSBRQLQUPQR-DOMZBBRYSA-N 1 0 264.413 2.413 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)N1CCC[C@@H](C2CCC2)C1 ZINC000662716541 415942083 /nfs/dbraw/zinc/94/20/83/415942083.db2.gz UVZNDTBOZVPSOB-DZGCQCFKSA-N 1 0 264.413 2.415 10 0 CEAERO COc1ccc(C(=O)[C@@H](C)[NH2+]C2CC2)c(OC)c1C ZINC000076362302 177002798 /nfs/dbraw/zinc/00/27/98/177002798.db2.gz FPFDJSHSCFRKSI-SNVBAGLBSA-N 1 0 263.337 2.335 10 0 CEAERO C[NH2+]CCC(=O)N[C@H](C)c1ccc(OC)c(Cl)c1 ZINC000076408956 177019942 /nfs/dbraw/zinc/01/99/42/177019942.db2.gz BUFIEOGXSXIKMB-SECBINFHSA-N 1 0 270.760 2.135 10 0 CEAERO Cc1cc(Br)ccc1NC(=O)C1(C[NH3+])CC1 ZINC000076484532 177027264 /nfs/dbraw/zinc/02/72/64/177027264.db2.gz KXTZJCJISUIGBP-UHFFFAOYSA-N 1 0 283.169 2.435 10 0 CEAERO CC(C)Oc1ccccc1NC(=O)C1(C[NH3+])CCOCC1 ZINC000076540987 177036085 /nfs/dbraw/zinc/03/60/85/177036085.db2.gz VESMNVNSHQFWTP-UHFFFAOYSA-N 1 0 292.379 2.168 10 0 CEAERO COc1cc([C@H](C[NH3+])C2CC2)cc(OC)c1OC ZINC000076655829 177045436 /nfs/dbraw/zinc/04/54/36/177045436.db2.gz AQAFBMZXFVQLIP-LLVKDONJSA-N 1 0 251.326 2.165 10 0 CEAERO CCCCN(Cc1ccc(Cl)cc1)C(=O)C[NH3+] ZINC000076659106 177047523 /nfs/dbraw/zinc/04/75/23/177047523.db2.gz JXWSALDVVMYEDY-UHFFFAOYSA-N 1 0 254.761 2.427 10 0 CEAERO CCCNC(=O)[C@H](CC[NH3+])c1ccccc1Cl ZINC000076658715 177047936 /nfs/dbraw/zinc/04/79/36/177047936.db2.gz MWYDADGDBPFWIF-LLVKDONJSA-N 1 0 254.761 2.299 10 0 CEAERO COc1ccccc1OC[C@@H](C[NH3+])c1cccn1C ZINC000076670768 177053863 /nfs/dbraw/zinc/05/38/63/177053863.db2.gz CJPZAHMKYFTGMU-GFCCVEGCSA-N 1 0 260.337 2.155 10 0 CEAERO COc1ccc([C@@H](CC[NH3+])C(=O)NC(C)(C)C)cc1 ZINC000076679953 177057915 /nfs/dbraw/zinc/05/79/15/177057915.db2.gz UYJRDNZKIVHFKA-CYBMUJFWSA-N 1 0 264.369 2.042 10 0 CEAERO O=[S@@]1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000076699065 177061394 /nfs/dbraw/zinc/06/13/94/177061394.db2.gz TWMOXQSXWSBZQN-YJBOKZPZSA-N 1 0 263.406 2.421 10 0 CEAERO C[NH2+]Cc1cn2cc(Br)c(C)cc2n1 ZINC000076792466 177096975 /nfs/dbraw/zinc/09/69/75/177096975.db2.gz XOITZYGIQVXSKA-UHFFFAOYSA-N 1 0 254.131 2.125 10 0 CEAERO CNC(=O)[C@@H](CC(C)C)[NH2+]Cc1sc(C)nc1C ZINC000076867789 177124916 /nfs/dbraw/zinc/12/49/16/177124916.db2.gz NULKUIRWNGEFFK-LLVKDONJSA-N 1 0 269.414 2.010 10 0 CEAERO Cc1nc2sccn2c1C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000077204585 177233207 /nfs/dbraw/zinc/23/32/07/177233207.db2.gz CFMCRQSJWFRQSE-DGCLKSJQSA-N 1 0 279.409 2.345 10 0 CEAERO C[C@@H]1COC[C@H](C)[N@H+]1CCC(=O)Nc1ccccc1F ZINC000077366333 177258078 /nfs/dbraw/zinc/25/80/78/177258078.db2.gz OGNQAHWPDRYVJR-TXEJJXNPSA-N 1 0 280.343 2.264 10 0 CEAERO C[NH2+]C[C@H](O)CN(C)c1ccc(C(C)(C)C)cc1 ZINC000077432354 177268460 /nfs/dbraw/zinc/26/84/60/177268460.db2.gz SUOZDFDWAZVAQA-AWEZNQCLSA-N 1 0 250.386 2.001 10 0 CEAERO O=C(C[NH2+]CC1(O)CCCCC1)Nc1cccc(F)c1 ZINC000078515546 177349207 /nfs/dbraw/zinc/34/92/07/177349207.db2.gz HLRDAQKABWZMEZ-UHFFFAOYSA-N 1 0 280.343 2.049 10 0 CEAERO Cn1c2ccccc2nc1N1CCC[C@@H]1C[NH2+]C1CC1 ZINC000079049307 177421380 /nfs/dbraw/zinc/42/13/80/177421380.db2.gz KJNNOUHYTWHSES-CYBMUJFWSA-N 1 0 270.380 2.294 10 0 CEAERO CNC(=O)c1ccc(NC(=O)CC[C@H](C)CC[NH3+])c(C)c1 ZINC000079117327 177435937 /nfs/dbraw/zinc/43/59/37/177435937.db2.gz FXYMLAPAGWZMIY-NSHDSACASA-N 1 0 291.395 2.058 10 0 CEAERO COCCN(Cc1ccccc1)C(=O)CC[C@H](C)CC[NH3+] ZINC000079118188 177436540 /nfs/dbraw/zinc/43/65/40/177436540.db2.gz RVNWEIGFANDMQI-HNNXBMFYSA-N 1 0 292.423 2.427 10 0 CEAERO CCC[C@@H](CC[NH3+])CCC(=O)Nc1cnn(CC)c1 ZINC000079236607 177453060 /nfs/dbraw/zinc/45/30/60/177453060.db2.gz MCELLUJBBQPIBS-GFCCVEGCSA-N 1 0 266.389 2.387 10 0 CEAERO CCOc1ccc(NC(=O)[C@@]2(C)CCC[NH2+]2)c(C)c1 ZINC000079516263 177512819 /nfs/dbraw/zinc/51/28/19/177512819.db2.gz AGAQDFPCDPHRIP-OAHLLOKOSA-N 1 0 262.353 2.474 10 0 CEAERO CCC[C@H](COC)NC(=O)CC[C@H](CCC)CC[NH3+] ZINC000079748777 177551383 /nfs/dbraw/zinc/55/13/83/177551383.db2.gz YSGHSJMOQQPWTQ-UONOGXRCSA-N 1 0 272.433 2.463 10 0 CEAERO CC(C)N(CCC(N)=[NH2+])C(=O)Nc1ccccc1F ZINC000079778515 177557052 /nfs/dbraw/zinc/55/70/52/177557052.db2.gz BZHPIBDKAYGNGM-UHFFFAOYSA-N 1 0 266.320 2.394 10 0 CEAERO [NH3+]CCCCCNC(=O)c1cccc(OC(F)F)c1 ZINC000079867953 177572783 /nfs/dbraw/zinc/57/27/83/177572783.db2.gz YFXASNDIAKOVGU-UHFFFAOYSA-N 1 0 272.295 2.147 10 0 CEAERO CC1(C)[C@H]2CC[C@]1(C)[C@H]([NH2+]C[C@@H]1CCC(=O)N1)C2 ZINC000079926064 177581218 /nfs/dbraw/zinc/58/12/18/177581218.db2.gz SMLRSULIKHYKCJ-UUIJZJDISA-N 1 0 250.386 2.069 10 0 CEAERO CCC[NH2+]Cc1cc(=O)[nH]c(-c2ccc(F)c(F)c2)n1 ZINC000079950093 177587420 /nfs/dbraw/zinc/58/74/20/177587420.db2.gz SINKHWKGYQHVDV-UHFFFAOYSA-N 1 0 279.290 2.215 10 0 CEAERO CCC[NH2+]C[C@@H]1CC[C@@H](Cn2ncc(Cl)c2C)O1 ZINC000080018498 177597319 /nfs/dbraw/zinc/59/73/19/177597319.db2.gz DFXUCQNIPQYJEB-RYUDHWBXSA-N 1 0 271.792 2.392 10 0 CEAERO CC(C)(C)c1ccc([C@H]2CC[C@H](S(N)(=O)=O)C[NH2+]2)cc1 ZINC000080098026 177607381 /nfs/dbraw/zinc/60/73/81/177607381.db2.gz RJUKBFSVZYHZQI-UONOGXRCSA-N 1 0 296.436 2.066 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000136327934 419444858 /nfs/dbraw/zinc/44/48/58/419444858.db2.gz RHQBMMBNFBKSLC-CQSZACIVSA-N 1 0 289.379 2.125 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)Nc1ccc(Cn2cccn2)cc1 ZINC000136367361 419445059 /nfs/dbraw/zinc/44/50/59/419445059.db2.gz WKOMJVBSWSMWQB-OAHLLOKOSA-N 1 0 286.379 2.243 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)N(C)CCOc1ccccc1F ZINC000136380619 419446387 /nfs/dbraw/zinc/44/63/87/419446387.db2.gz PZUVNALMKVRMAL-CYBMUJFWSA-N 1 0 282.359 2.036 10 0 CEAERO COc1ccccc1C[C@@H](C)N(C)C(=O)C[C@@H]([NH3+])C(C)C ZINC000136477163 419447847 /nfs/dbraw/zinc/44/78/47/419447847.db2.gz WYAAGAGYHBIUPF-UKRRQHHQSA-N 1 0 292.423 2.458 10 0 CEAERO COc1cccc(CN(C)C(=O)C[C@@H]([NH3+])C(C)C)c1 ZINC000136373219 419448030 /nfs/dbraw/zinc/44/80/30/419448030.db2.gz LNIDDLGDLKGBNO-CQSZACIVSA-N 1 0 264.369 2.027 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H](C)Cc1ccsc1 ZINC000136440659 419448303 /nfs/dbraw/zinc/44/83/03/419448303.db2.gz QOOUNAZQTIVMJQ-PWSUYJOCSA-N 1 0 254.399 2.169 10 0 CEAERO Cc1ccc(C[C@H](C)NC(=O)C[C@H]([NH3+])C(C)C)s1 ZINC000136471051 419448770 /nfs/dbraw/zinc/44/87/70/419448770.db2.gz WVQUMGZEXJRNPJ-GWCFXTLKSA-N 1 0 268.426 2.477 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)NCCc1cccc2cccnc21 ZINC000136495309 419449484 /nfs/dbraw/zinc/44/94/84/419449484.db2.gz RFOFCADYEAJUIR-OAHLLOKOSA-N 1 0 285.391 2.267 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)NCc1cccc2cccnc21 ZINC000136495393 419449796 /nfs/dbraw/zinc/44/97/96/419449796.db2.gz JKUHPHKPROEMTN-CQSZACIVSA-N 1 0 271.364 2.224 10 0 CEAERO CC(C)(C)OC(=O)N1CCc2ccc(CC[NH3+])cc21 ZINC000238117844 265356826 /nfs/dbraw/zinc/35/68/26/265356826.db2.gz JXKXJJIHOIRXQV-UHFFFAOYSA-N 1 0 262.353 2.485 10 0 CEAERO CC1(C)C(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C1(C)C ZINC000174343401 270239482 /nfs/dbraw/zinc/23/94/82/270239482.db2.gz UIRISQHQHOGJCM-GFCCVEGCSA-N 1 0 264.413 2.365 10 0 CEAERO C[C@H](O)CN1CC[NH+](CCC2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000189362583 270260915 /nfs/dbraw/zinc/26/09/15/270260915.db2.gz AZHUWAKWGNYWTP-JYJNAYRXSA-N 1 0 282.472 2.447 10 0 CEAERO CC[C@H]1CCCN(C(=O)N[C@H]2CCC[N@H+](CC)C2)C1 ZINC000194176377 270293660 /nfs/dbraw/zinc/29/36/60/270293660.db2.gz QRDIOXDUXNEWDP-KBPBESRZSA-N 1 0 267.417 2.302 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCC2CCCC2)C1 ZINC000194149360 270293816 /nfs/dbraw/zinc/29/38/16/270293816.db2.gz FJOOXOFEFCTQFG-CQSZACIVSA-N 1 0 267.417 2.350 10 0 CEAERO O=C(c1cccc2c1CCC2)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195046803 270305680 /nfs/dbraw/zinc/30/56/80/270305680.db2.gz VSTDLPVRPVWIII-HNNXBMFYSA-N 1 0 284.403 2.486 10 0 CEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000392906071 270341297 /nfs/dbraw/zinc/34/12/97/270341297.db2.gz RNJPJHHULWDXAS-CABZTGNLSA-N 1 0 286.297 2.462 10 0 CEAERO CC(C)CCOCC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398736649 270362099 /nfs/dbraw/zinc/36/20/99/270362099.db2.gz NHWWVUGKUZLRIO-SOUVJXGZSA-N 1 0 255.402 2.142 10 0 CEAERO O=C(CC[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1)c1ccccc1 ZINC000398764151 270363368 /nfs/dbraw/zinc/36/33/68/270363368.db2.gz IRQSYFDMXFRUSK-JYJNAYRXSA-N 1 0 273.376 2.352 10 0 CEAERO COC1(CC[N@@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)CCC1 ZINC000398860982 270363910 /nfs/dbraw/zinc/36/39/10/270363910.db2.gz QRZAIHBBLCAPFQ-IHRRRGAJSA-N 1 0 253.386 2.038 10 0 CEAERO CC(C)[C@H](C(=O)N[C@H]1CCOc2ccccc21)[C@@H](C)[NH3+] ZINC000399429233 270369976 /nfs/dbraw/zinc/36/99/76/270369976.db2.gz KMIVBCKORRGHGD-ZLDLUXBVSA-N 1 0 276.380 2.246 10 0 CEAERO CC(C)COc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC000423968971 270996749 /nfs/dbraw/zinc/99/67/49/270996749.db2.gz ZHAZAPPFPMMKNT-IUODEOHRSA-N 1 0 276.380 2.141 10 0 CEAERO CCc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000262033286 273772451 /nfs/dbraw/zinc/77/24/51/273772451.db2.gz XSQRWLALOGRNEL-KZNAEPCWSA-N 1 0 288.435 2.496 10 0 CEAERO CSc1nc2c(c(C(F)(F)F)n1)C[C@@H]([NH3+])CC2 ZINC000043464163 274189725 /nfs/dbraw/zinc/18/97/25/274189725.db2.gz GESBTEPNJDUDJH-YFKPBYRVSA-N 1 0 263.288 2.033 10 0 CEAERO C[C@@H]1CN(c2cccc(C(F)(F)F)n2)CC[C@H]1[NH3+] ZINC000251836743 274365513 /nfs/dbraw/zinc/36/55/13/274365513.db2.gz QBAJBTVJGRHWCH-RKDXNWHRSA-N 1 0 259.275 2.274 10 0 CEAERO Cc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C[NH3+] ZINC000213228706 274745074 /nfs/dbraw/zinc/74/50/74/274745074.db2.gz WMCTYHUSZLNPIE-NSHDSACASA-N 1 0 252.745 2.212 10 0 CEAERO Cc1sc2nc(C)nc(N3C[C@@H](C)[C@H]([NH3+])C3)c2c1C ZINC000261624204 274878763 /nfs/dbraw/zinc/87/87/63/274878763.db2.gz VATAIXYXNBKDCW-RDDDGLTNSA-N 1 0 276.409 2.400 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H](C(=O)Nc2ccnc3ccncc32)C1 ZINC000262659151 274956657 /nfs/dbraw/zinc/95/66/57/274956657.db2.gz WNHKVMYJDIMEHH-GHMZBOCLSA-N 1 0 270.336 2.086 10 0 CEAERO Brc1cncc(N2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000261582607 275377377 /nfs/dbraw/zinc/37/73/77/275377377.db2.gz ONBHWURRFUYSTM-LBPRGKRZSA-N 1 0 282.185 2.034 10 0 CEAERO CC(C)[C@H](C)[NH2+][C@H](C)CS(=O)(=O)c1ccccc1 ZINC000121987693 275697301 /nfs/dbraw/zinc/69/73/01/275697301.db2.gz OLIBJDLRTDOKNP-OLZOCXBDSA-N 1 0 269.410 2.483 10 0 CEAERO CCC[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(OC)cc1 ZINC000180493516 276044773 /nfs/dbraw/zinc/04/47/73/276044773.db2.gz HSWHNWIHURVNFZ-SJORKVTESA-N 1 0 292.423 2.457 10 0 CEAERO CC1(C)CC[C@]([NH2+]CC2CC2)(C(N)=O)c2ccccc21 ZINC000038000928 276118873 /nfs/dbraw/zinc/11/88/73/276118873.db2.gz RNIYEGJHRODARN-QGZVFWFLSA-N 1 0 272.392 2.438 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C[C@H](O)C1CCCCC1 ZINC000158478158 276183218 /nfs/dbraw/zinc/18/32/18/276183218.db2.gz ZNSXUKPMCQZJLI-HOTGVXAUSA-N 1 0 268.445 2.344 10 0 CEAERO CC1=C[C@H](C)C[C@H](C[NH2+][C@H]2CCC(=O)N[C@@H]2C)C1 ZINC000352944070 276186254 /nfs/dbraw/zinc/18/62/54/276186254.db2.gz NQEPBXDDMVWEIU-GHYVTOPFSA-N 1 0 250.386 2.236 10 0 CEAERO CCOc1cc(NC[C@@H]2[NH2+]CCc3ccccc32)ncn1 ZINC000261694597 276370898 /nfs/dbraw/zinc/37/08/98/276370898.db2.gz NPCTXQYEVGDEJK-AWEZNQCLSA-N 1 0 284.363 2.174 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1CC=CCC1 ZINC000176987530 276377202 /nfs/dbraw/zinc/37/72/02/276377202.db2.gz NMNJIHVVXCKNOB-KBPBESRZSA-N 1 0 250.386 2.285 10 0 CEAERO CN1c2ccccc2[C@H]([NH2+][C@@H]2CCSC2)CC1=O ZINC000222144282 276992569 /nfs/dbraw/zinc/99/25/69/276992569.db2.gz REEIYJODKBKYLC-ZYHUDNBSSA-N 1 0 262.378 2.189 10 0 CEAERO COC[C@H](C)C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000248648341 277257145 /nfs/dbraw/zinc/25/71/45/277257145.db2.gz UNCKVXMCTGBXNQ-KCQAQPDRSA-N 1 0 278.396 2.077 10 0 CEAERO C[C@@H](C(=O)N[C@@H]1CCCc2ccccc21)C1C[NH2+]C1 ZINC000163902283 278210415 /nfs/dbraw/zinc/21/04/15/278210415.db2.gz LTMIZHODQHWEOA-IAQYHMDHSA-N 1 0 258.365 2.036 10 0 CEAERO C[C@H]([NH3+])[C@@H]1CCN(c2ncccc2Br)C1 ZINC000168579722 278228635 /nfs/dbraw/zinc/22/86/35/278228635.db2.gz QYFSNZKHJGCPDQ-DTWKUNHWSA-N 1 0 270.174 2.018 10 0 CEAERO CC1(C)CN(C(=O)c2cc(F)c(F)c(F)c2)CC[C@H]1[NH3+] ZINC000261847128 278320280 /nfs/dbraw/zinc/32/02/80/278320280.db2.gz WHYILQJNEWTUTQ-LLVKDONJSA-N 1 0 286.297 2.303 10 0 CEAERO C[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccnn1C ZINC000343548985 278352395 /nfs/dbraw/zinc/35/23/95/278352395.db2.gz KQCADOMRVILHIG-YVECIDJPSA-N 1 0 251.374 2.274 10 0 CEAERO C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccccc1-n1cccn1 ZINC000177244394 278353602 /nfs/dbraw/zinc/35/36/02/278353602.db2.gz ZSXXBXCDBWVJKG-MFKMUULPSA-N 1 0 299.296 2.446 10 0 CEAERO CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@H](C[NH3+])[C@@H]2C1 ZINC000096958454 278415976 /nfs/dbraw/zinc/41/59/76/278415976.db2.gz ATFHYPICLWVHFR-SRVKXCTJSA-N 1 0 254.374 2.228 10 0 CEAERO C[C@@H]1CC(C[NH2+]Cc2ccc(C(N)=O)cc2)C[C@@H](C)O1 ZINC000282350823 278444598 /nfs/dbraw/zinc/44/45/98/278444598.db2.gz VPMGACZPBIYNTC-VXGBXAGGSA-N 1 0 276.380 2.079 10 0 CEAERO C[C@@H]1CCN(C(=O)c2cccc3c2CCC3)[C@@H](C[NH3+])C1 ZINC000261665930 278542705 /nfs/dbraw/zinc/54/27/05/278542705.db2.gz CKLJTUPXYHBSBF-TZMCWYRMSA-N 1 0 272.392 2.375 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+][C@@H](C)C2CCCCC2)C1 ZINC000263531139 279059337 /nfs/dbraw/zinc/05/93/37/279059337.db2.gz WMPLQCKBTXGJPG-GRTSSRMGSA-N 1 0 282.428 2.482 10 0 CEAERO CC(C)C[C@H](C)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248391280 279084648 /nfs/dbraw/zinc/08/46/48/279084648.db2.gz JFWRBROBBXGAIT-KBPBESRZSA-N 1 0 252.402 2.365 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@H]1CCCc2sccc21 ZINC000261592159 279114379 /nfs/dbraw/zinc/11/43/79/279114379.db2.gz YJSXWLYASYIXLO-ADEWGFFLSA-N 1 0 264.394 2.116 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)N[C@H]1C[C@H](C)n2ccnc21 ZINC000345359254 279133901 /nfs/dbraw/zinc/13/39/01/279133901.db2.gz XOAKAZCJSKPCSE-MJBXVCDLSA-N 1 0 264.417 2.455 10 0 CEAERO C[C@@](O)(C[N@@H+]1CC[C@H](N2CCCCC2)C1)c1ccccc1 ZINC000062982026 279150332 /nfs/dbraw/zinc/15/03/32/279150332.db2.gz HBQWVKCWWJKWQA-ZWKOTPCHSA-N 1 0 288.435 2.454 10 0 CEAERO C[C@H](C(=O)N1C[C@@H](C)Cc2ccccc21)C1C[NH2+]C1 ZINC000164543837 279208393 /nfs/dbraw/zinc/20/83/93/279208393.db2.gz WHRJFECWEMRJQZ-RYUDHWBXSA-N 1 0 258.365 2.067 10 0 CEAERO C[C@H]([NH2+]CC1(O)CCC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400331537 279463196 /nfs/dbraw/zinc/46/31/96/279463196.db2.gz BZWLZGISZOXMLE-STQMWFEESA-N 1 0 298.427 2.137 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCc2c1cccc2O)C(=O)NC(C)(C)C ZINC000228967527 279519372 /nfs/dbraw/zinc/51/93/72/279519372.db2.gz YYQCHTFQQBFGPN-GXFFZTMASA-N 1 0 276.380 2.272 10 0 CEAERO Cc1cccc(CCNC(=O)C[C@H]2CCC[NH2+]C2)c1 ZINC000054292843 279640418 /nfs/dbraw/zinc/64/04/18/279640418.db2.gz QQUIYROANMGFCQ-OAHLLOKOSA-N 1 0 260.381 2.043 10 0 CEAERO CN(Cc1ccc(F)c(F)c1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054307843 279640437 /nfs/dbraw/zinc/64/04/37/279640437.db2.gz MTXYZLYAKYLYSQ-NSHDSACASA-N 1 0 282.334 2.313 10 0 CEAERO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000218900355 279673845 /nfs/dbraw/zinc/67/38/45/279673845.db2.gz PUTBJTCBVQUENW-HBNTYKKESA-N 1 0 278.318 2.305 10 0 CEAERO O=C(NC1CCC(C(F)(F)F)CC1)[C@H]1CCC[NH2+]C1 ZINC000037044152 279821448 /nfs/dbraw/zinc/82/14/48/279821448.db2.gz SYPAGVRYUGKRDZ-WHXUTIOJSA-N 1 0 278.318 2.223 10 0 CEAERO Cc1cc(C)c(CN2CCO[C@@H](C[NH+](C)C)C2)cc1C ZINC000128097634 279879921 /nfs/dbraw/zinc/87/99/21/279879921.db2.gz XBVMTQKVEXJKIY-KRWDZBQOSA-N 1 0 276.424 2.374 10 0 CEAERO O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1CCC[NH2+]C1 ZINC000037042538 279886806 /nfs/dbraw/zinc/88/68/06/279886806.db2.gz LUVDFFCCMWZYLG-OUAUKWLOSA-N 1 0 278.318 2.223 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)C(C)C ZINC000133677797 280003089 /nfs/dbraw/zinc/00/30/89/280003089.db2.gz QPAQQAOIQTUBRP-UONOGXRCSA-N 1 0 269.433 2.451 10 0 CEAERO C[C@@H]1OCCC[C@@H]1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000189092634 280142875 /nfs/dbraw/zinc/14/28/75/280142875.db2.gz HJYOXKTXTRBUBA-JSGCOSHPSA-N 1 0 282.428 2.181 10 0 CEAERO C/C(=C\c1ccccc1)C[N@@H+]1CCCNC(=O)[C@H]1C ZINC000189099328 280143053 /nfs/dbraw/zinc/14/30/53/280143053.db2.gz DXPNURBCSFENLF-YPDDLIOESA-N 1 0 258.365 2.300 10 0 CEAERO CC[C@@H](O)C[NH+]1CCN(Cc2csc(C(C)C)n2)CC1 ZINC000174094793 280207779 /nfs/dbraw/zinc/20/77/79/280207779.db2.gz IOCSNOZJOCUYJA-CQSZACIVSA-N 1 0 297.468 2.155 10 0 CEAERO CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089452654 280264850 /nfs/dbraw/zinc/26/48/50/280264850.db2.gz LVRYTZAHLASOCO-SYQHCUMBSA-N 1 0 252.402 2.446 10 0 CEAERO CSC[C@@H]1CCCN1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000246602364 280302990 /nfs/dbraw/zinc/30/29/90/280302990.db2.gz DDPNPNFLTGYDEQ-IHRRRGAJSA-N 1 0 299.484 2.252 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](C)CC(C)C)C1 ZINC000246674748 280305895 /nfs/dbraw/zinc/30/58/95/280305895.db2.gz LNKOEWUJUCDTNI-CHWSQXEVSA-N 1 0 255.406 2.205 10 0 CEAERO Cc1nc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c(C)s1 ZINC000246677612 280306261 /nfs/dbraw/zinc/30/62/61/280306261.db2.gz LRHVKXBPIFGAEO-SKDRFNHKSA-N 1 0 281.425 2.218 10 0 CEAERO Cc1cc(Br)cnc1N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261554898 280312033 /nfs/dbraw/zinc/31/20/33/280312033.db2.gz PHVDPQUMUBNICE-MVWJERBFSA-N 1 0 296.212 2.326 10 0 CEAERO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CCOCC1CC1 ZINC000247072270 280319681 /nfs/dbraw/zinc/31/96/81/280319681.db2.gz WQKOYJJXANZIHF-KFWWJZLASA-N 1 0 281.396 2.219 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C[C@@H](O)CCc1ccccc1 ZINC000248572525 280353467 /nfs/dbraw/zinc/35/34/67/280353467.db2.gz MMMCHKPNIOBZLR-ROUUACIJSA-N 1 0 290.451 2.396 10 0 CEAERO CCC[C@@]1(COC)CCC[N@@H+]1C[C@@H](O)COC(C)(C)C ZINC000248733651 280361526 /nfs/dbraw/zinc/36/15/26/280361526.db2.gz MEZQEYUUZRMLOM-ZBFHGGJFSA-N 1 0 287.444 2.444 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+][C@H]2CC[C@H](O)CC2)c1C ZINC000252728921 280447655 /nfs/dbraw/zinc/44/76/55/280447655.db2.gz DJYVOYWFEDLKNS-BPNCWPANSA-N 1 0 265.401 2.474 10 0 CEAERO Fc1ccc(Br)cc1CNC[C@@H]1CC[NH2+]C1 ZINC000258995969 280528395 /nfs/dbraw/zinc/52/83/95/280528395.db2.gz WKAWRWSEHUXRFQ-SECBINFHSA-N 1 0 287.176 2.287 10 0 CEAERO O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)C1C[NH2+]C1 ZINC000262195895 280533793 /nfs/dbraw/zinc/53/37/93/280533793.db2.gz GSARIURTIONJSE-CYBMUJFWSA-N 1 0 298.308 2.492 10 0 CEAERO Cc1cc(N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ncc1Br ZINC000261558435 280585555 /nfs/dbraw/zinc/58/55/55/280585555.db2.gz SJSADYZBQKUWKC-HOSYDEDBSA-N 1 0 296.212 2.326 10 0 CEAERO CC(C)(C)[C@@H](O)C[NH2+]CC(=O)Nc1ccc(Cl)cc1 ZINC000324535621 280601760 /nfs/dbraw/zinc/60/17/60/280601760.db2.gz QLBQNYSHWGYHRL-LBPRGKRZSA-N 1 0 284.787 2.275 10 0 CEAERO CC1(C)CCC[C@@H]1[NH2+]C1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263485854 281033611 /nfs/dbraw/zinc/03/36/11/281033611.db2.gz HIMMWOKKMZYMSI-NRXISQOPSA-N 1 0 294.439 2.482 10 0 CEAERO Cc1ccc2c(c1)CCCN2C(=O)[C@H](C)C1C[NH2+]C1 ZINC000163854306 281051563 /nfs/dbraw/zinc/05/15/63/281051563.db2.gz DFUXUWHVFGKMPZ-GFCCVEGCSA-N 1 0 258.365 2.130 10 0 CEAERO CC1(C)CCC[C@H]1NC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000335303873 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CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccccc1O ZINC000175436750 288310481 /nfs/dbraw/zinc/31/04/81/288310481.db2.gz JIJWPLHDRYMHIY-QWHCGFSZSA-N 1 0 274.364 2.091 10 0 CEAERO CC[C@H](OC1CCCCC1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000154437678 289145286 /nfs/dbraw/zinc/14/52/86/289145286.db2.gz SPIMFFYHARKPGI-HIFRSBDPSA-N 1 0 282.428 2.277 10 0 CEAERO Cc1ccc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c(O)c1 ZINC000155425691 289174282 /nfs/dbraw/zinc/17/42/82/289174282.db2.gz PHDDFCBDHYSLRW-JSGCOSHPSA-N 1 0 276.380 2.159 10 0 CEAERO Cc1[nH]c2ccc(C(=O)N3CCC[C@H]3C[NH3+])cc2c1C ZINC000156074204 289188940 /nfs/dbraw/zinc/18/89/40/289188940.db2.gz CTDPQVYMWDLOFS-ZDUSSCGKSA-N 1 0 271.364 2.348 10 0 CEAERO CSC[C@@H](C)NC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000157186622 289209069 /nfs/dbraw/zinc/20/90/69/289209069.db2.gz CBXAHIGNDRPSCO-CHWSQXEVSA-N 1 0 287.473 2.158 10 0 CEAERO CC(C)[C@@H](O)CC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000157209997 289209719 /nfs/dbraw/zinc/20/97/19/289209719.db2.gz 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ZINC000563002598 313711898 /nfs/dbraw/zinc/71/18/98/313711898.db2.gz HTRVVWGHXOZHDQ-VLEAKVRGSA-N 1 0 269.307 2.093 10 0 CEAERO C[C@@H](C[NH2+]C[C@H](O)C(C)(C)C)Oc1ccccc1 ZINC000567891845 313916705 /nfs/dbraw/zinc/91/67/05/313916705.db2.gz WKNCMQNKAUVGKA-JSGCOSHPSA-N 1 0 251.370 2.451 10 0 CEAERO CC(=O)Nc1cccc(N[C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000570690078 314053275 /nfs/dbraw/zinc/05/32/75/314053275.db2.gz FYORZLNSDUAXPJ-WCQYABFASA-N 1 0 261.369 2.445 10 0 CEAERO C[C@@H](Nc1ccc(C(=O)N(C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC000576328321 314264007 /nfs/dbraw/zinc/26/40/07/314264007.db2.gz DRYAPPBWCDOUKX-OCCSQVGLSA-N 1 0 275.396 2.188 10 0 CEAERO Cc1ccc2c(c1)[C@H]([NH2+]CCCn1ccnn1)CCCO2 ZINC000184267925 321728835 /nfs/dbraw/zinc/72/88/35/321728835.db2.gz BULJXMYVCVMBII-OAHLLOKOSA-N 1 0 286.379 2.480 10 0 CEAERO [NH3+]CC[C@H](Nc1cccc(C(F)(F)F)n1)C(F)F ZINC000383212167 321846542 /nfs/dbraw/zinc/84/65/42/321846542.db2.gz AXLIFRVBOHFKED-LURJTMIESA-N 1 0 269.217 2.495 10 0 CEAERO Cn1ncc2c1CCC[C@@H]2[NH2+][C@H](CO)C1CCCCC1 ZINC000386290222 321870039 /nfs/dbraw/zinc/87/00/39/321870039.db2.gz SRSKKNMZUWEMCT-LSDHHAIUSA-N 1 0 277.412 2.328 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@H](CC[NH3+])C(F)(F)C1 ZINC000218188687 329066793 /nfs/dbraw/zinc/06/67/93/329066793.db2.gz UQNNOMOYAFZTDY-VIFPVBQESA-N 1 0 264.316 2.228 10 0 CEAERO CC(C)[NH2+]Cc1cnc(N2CCO[C@@H]3CCC[C@@H]32)s1 ZINC000054907055 519728329 /nfs/dbraw/zinc/72/83/29/519728329.db2.gz JSUAGQCGDGGYAL-QWHCGFSZSA-N 1 0 281.425 2.399 10 0 CEAERO CC(C)[C@@H]1CC[C@H]([NH3+])[C@H](N(C)C[C@@H]2CCCO2)C1 ZINC000054555389 519803304 /nfs/dbraw/zinc/80/33/04/519803304.db2.gz RQWKZKWVXRSOFT-CBBWQLFWSA-N 1 0 254.418 2.249 10 0 CEAERO CCCN1CC[NH+](C[C@@H]2C[C@@H](C(C)C)CC[C@@H]2O)CC1 ZINC000054560744 519858692 /nfs/dbraw/zinc/85/86/92/519858692.db2.gz IBWGPDYDGLAFML-ULQDDVLXSA-N 1 0 282.472 2.447 10 0 CEAERO CCCC1CC[NH+](CC[C@](C)(NC(C)C)C(N)=O)CC1 ZINC000050905577 519901386 /nfs/dbraw/zinc/90/13/86/519901386.db2.gz NRSRUDVAQDHRPY-INIZCTEOSA-N 1 0 283.460 2.131 10 0 CEAERO CCC[NH2+]C[C@@H](CC)N1CCN(c2nccs2)CC1 ZINC000052417626 519921110 /nfs/dbraw/zinc/92/11/10/519921110.db2.gz ZDBPHGWIEGTMOA-CYBMUJFWSA-N 1 0 282.457 2.043 10 0 CEAERO CC[NH2+]CCC[C@@H](C)Oc1cccc(S(C)(=O)=O)c1 ZINC000052701604 519919704 /nfs/dbraw/zinc/91/97/04/519919704.db2.gz FTNVGJMZJPVHCX-GFCCVEGCSA-N 1 0 285.409 2.247 10 0 CEAERO CC[NH2+]CCS(=O)(=O)Nc1cc(Cl)ccc1Cl ZINC000049632357 519925030 /nfs/dbraw/zinc/92/50/30/519925030.db2.gz HOUGNUQHVBRAQQ-UHFFFAOYSA-N 1 0 297.207 2.345 10 0 CEAERO CC[NH2+]CCS(=O)(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000049640964 519926542 /nfs/dbraw/zinc/92/65/42/519926542.db2.gz FSOCQEOJTNUGCU-UHFFFAOYSA-N 1 0 296.314 2.057 10 0 CEAERO CCC[NH2+]C[C@H](CC)n1nnc(-c2ccccc2)n1 ZINC000052574746 519933123 /nfs/dbraw/zinc/93/31/23/519933123.db2.gz BFOQWNZZGQAUCB-ZDUSSCGKSA-N 1 0 259.357 2.291 10 0 CEAERO CC[NH2+]C[C@@H](c1ccccc1)N(CCOC)C1CC1 ZINC000052542549 519949169 /nfs/dbraw/zinc/94/91/69/519949169.db2.gz GJALYAPMYQYXSY-INIZCTEOSA-N 1 0 262.397 2.448 10 0 CEAERO CCC[NH2+][C@@H](CC[NH+](CC(C)C)CC(C)C)C(=O)[O-] ZINC000062454396 519995459 /nfs/dbraw/zinc/99/54/59/519995459.db2.gz IHDDRKKCGGXIOR-AWEZNQCLSA-N 1 0 272.433 2.443 10 0 CEAERO CCCN[C@@H](CC[NH+]1CCCCCC1)C(=O)OCC ZINC000062441158 519998296 /nfs/dbraw/zinc/99/82/96/519998296.db2.gz DJHOSYXXGUUQNH-AWEZNQCLSA-N 1 0 270.417 2.184 10 0 CEAERO CCCN[C@@H](C[NH+]1CCC(CCC)CC1)C(=O)OC ZINC000050905871 520009428 /nfs/dbraw/zinc/00/94/28/520009428.db2.gz UGKPGXLQLKPDFQ-AWEZNQCLSA-N 1 0 270.417 2.040 10 0 CEAERO CC[NH2+]Cc1nc(Cn2nc(C)c(C)c2C)cs1 ZINC000052591863 520021147 /nfs/dbraw/zinc/02/11/47/520021147.db2.gz RWUGCQYLMZBEFM-UHFFFAOYSA-N 1 0 264.398 2.423 10 0 CEAERO CC[NH2+]Cc1sc(N2CCC(OC)CC2)nc1C ZINC000054997121 520033520 /nfs/dbraw/zinc/03/35/20/520033520.db2.gz RRZYONSKHVKZNR-UHFFFAOYSA-N 1 0 269.414 2.176 10 0 CEAERO CC[NH2+]Cc1sc(N2CCO[C@@H](CC)C2)nc1C ZINC000054997387 520035551 /nfs/dbraw/zinc/03/55/51/520035551.db2.gz MIAGOILYGVHKGN-NSHDSACASA-N 1 0 269.414 2.176 10 0 CEAERO CCCN[C@@](C)(C[C@H](C)[N@H+](CC1CC1)C(C)C)C(N)=O ZINC000068637871 520045132 /nfs/dbraw/zinc/04/51/32/520045132.db2.gz RSVNYLXKPSASMJ-BBRMVZONSA-N 1 0 283.460 2.129 10 0 CEAERO CCC[NH2+][C@H](Cc1ccc(C)c(C)c1)CS(C)(=O)=O ZINC000052789258 520087196 /nfs/dbraw/zinc/08/71/96/520087196.db2.gz ADMZAJAMADCFKB-OAHLLOKOSA-N 1 0 283.437 2.259 10 0 CEAERO CCCCCC[NH2+]CCN1CCN(c2nccs2)CC1 ZINC000053345473 520094332 /nfs/dbraw/zinc/09/43/32/520094332.db2.gz MNPQKDNNGILVPS-UHFFFAOYSA-N 1 0 296.484 2.435 10 0 CEAERO CCCN[C@](C)(C[C@H](C)[NH+]1CCCCC1)C(=O)OC ZINC000068620194 520114686 /nfs/dbraw/zinc/11/46/86/520114686.db2.gz BCCDATOGYRNGMJ-DZGCQCFKSA-N 1 0 270.417 2.182 10 0 CEAERO CCCN[C@](C[N@H+](CC)CC1CC1)(C(=O)OCC)C1CC1 ZINC000069239463 520119011 /nfs/dbraw/zinc/11/90/11/520119011.db2.gz ADPVDCOPPKTBBZ-KRWDZBQOSA-N 1 0 296.455 2.430 10 0 CEAERO CCN[C@@](C)(C[C@@H](C)[NH+]1CCC(CC)CC1)C(=O)OC ZINC000068638284 520138537 /nfs/dbraw/zinc/13/85/37/520138537.db2.gz VYYUBJDCXOEDJX-CJNGLKHVSA-N 1 0 284.444 2.428 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1ccc(N(C)C)cc1C ZINC000061270280 520169875 /nfs/dbraw/zinc/16/98/75/520169875.db2.gz UQAOAOGSEQMOMR-GFCCVEGCSA-N 1 0 263.385 2.388 10 0 CEAERO CCCCC[N@H+](C[C@](N)(C(=O)OC)C1CC1)C(C)C ZINC000069132303 520175426 /nfs/dbraw/zinc/17/54/26/520175426.db2.gz WGOGJEGYOCBELZ-OAHLLOKOSA-N 1 0 270.417 2.168 10 0 CEAERO CC[NH2+][C@H](CS(C)(=O)=O)c1c(C)cc(C)cc1C ZINC000054930415 520199966 /nfs/dbraw/zinc/19/99/66/520199966.db2.gz OUVUXGBTRCYJGI-CYBMUJFWSA-N 1 0 269.410 2.307 10 0 CEAERO CCN[C@](C)(C[C@@H](C)[N@H+](CC)C1CCCCC1)C(N)=O ZINC000068617653 520235016 /nfs/dbraw/zinc/23/50/16/520235016.db2.gz ISUUMWVUPVBCPV-CZUORRHYSA-N 1 0 283.460 2.273 10 0 CEAERO CCO[C@@H](C[NH3+])CCOc1ccc(C)cc1OC ZINC000062741598 520308478 /nfs/dbraw/zinc/30/84/78/520308478.db2.gz HEHICHPQXKVIKM-GFCCVEGCSA-N 1 0 253.342 2.136 10 0 CEAERO CC1(C)CSC(NC[C@@H]2Cc3ccccc3O2)=[NH+]1 ZINC000051087010 520513472 /nfs/dbraw/zinc/51/34/72/520513472.db2.gz YIRQCALDRKBFAY-NSHDSACASA-N 1 0 262.378 2.461 10 0 CEAERO CC[NH+](CC)CCN[C@@]1(C(=O)OC)CC[C@@H](C)C[C@@H]1C ZINC000068631294 520689928 /nfs/dbraw/zinc/68/99/28/520689928.db2.gz YCXAKOBQOKOBHJ-YCPHGPKFSA-N 1 0 284.444 2.286 10 0 CEAERO CCCCOCCOC[C@H](O)C[NH2+][C@H](C)[C@@H](C)CC ZINC000049093860 520788728 /nfs/dbraw/zinc/78/87/28/520788728.db2.gz MTXNJKWIPSBTGI-RRFJBIMHSA-N 1 0 275.433 2.205 10 0 CEAERO CCCCOCCOc1ccc2c(c1)OC[C@H]2[NH3+] ZINC000062803528 520794702 /nfs/dbraw/zinc/79/47/02/520794702.db2.gz LRIBDBCIBMVGSM-CYBMUJFWSA-N 1 0 251.326 2.274 10 0 CEAERO CCOC(=O)[C@@](C)(C[N@H+](CC)CC1CC1)NC(C)C ZINC000069239550 521147054 /nfs/dbraw/zinc/14/70/54/521147054.db2.gz UNIGSTYRTRWNHX-OAHLLOKOSA-N 1 0 270.417 2.038 10 0 CEAERO CCOC(=O)[C@@](C)([NH3+])CCCO[C@@H]1CCC[C@H](OC)C1 ZINC000069541968 521153229 /nfs/dbraw/zinc/15/32/29/521153229.db2.gz RIAUAKAZYOQZAQ-GUTXKFCHSA-N 1 0 287.400 2.021 10 0 CEAERO CCC(CC)N(CC[NH3+])C(=O)CC[C@H]1CCCCO1 ZINC000069405669 521550655 /nfs/dbraw/zinc/55/06/55/521550655.db2.gz JOXALZWMGVWIEJ-CQSZACIVSA-N 1 0 270.417 2.312 10 0 CEAERO CCC[N@H+](CC[C@H](NCC)C(=O)OCC)CC1CC1 ZINC000062459971 521670578 /nfs/dbraw/zinc/67/05/78/521670578.db2.gz KQGANJNVGBWETC-AWEZNQCLSA-N 1 0 270.417 2.040 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1c1cccc(Cl)c1CO ZINC000061645469 521875789 /nfs/dbraw/zinc/87/57/89/521875789.db2.gz YWLBDGSUNWSCNB-LLVKDONJSA-N 1 0 268.788 2.363 10 0 CEAERO COCC[C@H]([NH3+])CN(Cc1ccsc1)C1CC1 ZINC000052810847 521951366 /nfs/dbraw/zinc/95/13/66/521951366.db2.gz YZTQNRLGUHIPIH-LBPRGKRZSA-N 1 0 254.399 2.076 10 0 CEAERO C[NH2+]CC1(CN(CC(F)(F)F)C2CC2)CCOCC1 ZINC000052182267 521969689 /nfs/dbraw/zinc/96/96/89/521969689.db2.gz JNYPXDXQIGTNSO-UHFFFAOYSA-N 1 0 280.334 2.029 10 0 CEAERO COCCc1nc(C)c(C[NH2+]CC(C)C)c(C)n1 ZINC000054854540 522029889 /nfs/dbraw/zinc/02/98/89/522029889.db2.gz CLZRBHCHSCYBPC-UHFFFAOYSA-N 1 0 251.374 2.028 10 0 CEAERO C[NH2+]C[C@@H](OC[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000050501680 522035598 /nfs/dbraw/zinc/03/55/98/522035598.db2.gz CPPAIEFUWBHXRU-BXUZGUMPSA-N 1 0 253.317 2.139 10 0 CEAERO C[NH2+]C[C@H]1CC[C@@H](CN(C)c2cccc(F)c2)O1 ZINC000052544555 522094332 /nfs/dbraw/zinc/09/43/32/522094332.db2.gz ICEXWKJJVNFAIM-KGLIPLIRSA-N 1 0 252.333 2.029 10 0 CEAERO C[NH2+]Cc1ccccc1OCCn1cc(Cl)cn1 ZINC000052577183 522138886 /nfs/dbraw/zinc/13/88/86/522138886.db2.gz MLAFKOWKOAQCGR-UHFFFAOYSA-N 1 0 265.744 2.335 10 0 CEAERO COC(=O)c1cc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cs1 ZINC000411281137 533806460 /nfs/dbraw/zinc/80/64/60/533806460.db2.gz NIBNAOWLWNCKEC-WCQYABFASA-N 1 0 294.420 2.203 10 0 CEAERO COC(=O)c1cc(C[NH2+][C@H](C)[C@@H]2CCCO2)cs1 ZINC000411537989 533829201 /nfs/dbraw/zinc/82/92/01/533829201.db2.gz SSLFNEXXHHWQRS-KOLCDFICSA-N 1 0 269.366 2.192 10 0 CEAERO C[NH2+][C@@H](CS(C)(=O)=O)c1cccc2ccccc21 ZINC000054930186 522357758 /nfs/dbraw/zinc/35/77/58/522357758.db2.gz DXBJTJPKDRLCTP-AWEZNQCLSA-N 1 0 263.362 2.145 10 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CEAERO CC(C)(C)C1CC[NH+](CCn2cc(N)cn2)CC1 ZINC000050614932 518606684 /nfs/dbraw/zinc/60/66/84/518606684.db2.gz PGZWJOHJIKYWOQ-UHFFFAOYSA-N 1 0 250.390 2.223 10 0 CEAERO CC(C)(C)[NH2+]CCCN1c2cc(F)cc(F)c2C(=O)C1=O ZINC000048785540 518754690 /nfs/dbraw/zinc/75/46/90/518754690.db2.gz FVZGACMAAICRDN-UHFFFAOYSA-N 1 0 296.317 2.272 10 0 CEAERO CC(C)(C)[NH2+]CCCc1nnc([C@@H]2CCCO2)o1 ZINC000050617890 518757865 /nfs/dbraw/zinc/75/78/65/518757865.db2.gz WQFHYQUSKJCNIF-JTQLQIEISA-N 1 0 253.346 2.242 10 0 CEAERO CC(C)(C)[NH2+]Cc1nnnn1C12CC3CC(CC(C3)C1)C2 ZINC000054745296 518771441 /nfs/dbraw/zinc/77/14/41/518771441.db2.gz ZWQVLLNQYCRLQA-UHFFFAOYSA-N 1 0 289.427 2.487 10 0 CEAERO CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)CN1CCC[NH2+]CC1 ZINC000061270204 518936471 /nfs/dbraw/zinc/93/64/71/518936471.db2.gz WFJCSNOGIJQEGL-HUUCEWRRSA-N 1 0 295.471 2.003 10 0 CEAERO COC(=O)c1sccc1C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000183092541 534408761 /nfs/dbraw/zinc/40/87/61/534408761.db2.gz MLYFGDNYBXTGGZ-MWLCHTKSSA-N 1 0 269.366 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2.228 10 0 CEAERO CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)C1C[NH2+]C1 ZINC000163829300 519657558 /nfs/dbraw/zinc/65/75/58/519657558.db2.gz QDGKZNOSTKAXGJ-ZDUSSCGKSA-N 1 0 260.381 2.279 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)Cn2ccc3ccccc32)[C@@H](C)C1 ZINC000155718236 519696485 /nfs/dbraw/zinc/69/64/85/519696485.db2.gz QVLXTKVNGSEBMV-HOCLYGCPSA-N 1 0 299.418 2.486 10 0 CEAERO CC(=O)Nc1cc(NC(=O)C2(C)CC[NH2+]CC2)ccc1F ZINC000062840412 519704997 /nfs/dbraw/zinc/70/49/97/519704997.db2.gz LSYZSRUXNIKVDO-UHFFFAOYSA-N 1 0 293.342 2.112 10 0 CEAERO CC(C)C[N@H+](Cc1ccnc(C(N)=S)c1)C1CC1 ZINC000068752527 519718618 /nfs/dbraw/zinc/71/86/18/519718618.db2.gz JZXZRONOEDXJHW-UHFFFAOYSA-N 1 0 263.410 2.336 10 0 CEAERO CC(C)[NH2+]C[C@@H](Cc1nnnn1-c1ccccc1)C(C)C ZINC000052972327 519723162 /nfs/dbraw/zinc/72/31/62/519723162.db2.gz YJQIVAIRLHUGIZ-CQSZACIVSA-N 1 0 287.411 2.475 10 0 CEAERO CC(C)[NH2+]C[C@@H]1CC[C@H](COCC(F)(F)F)O1 ZINC000052601646 519723760 /nfs/dbraw/zinc/72/37/60/519723760.db2.gz FZZHEDKTJFIWHJ-VHSXEESVSA-N 1 0 255.280 2.111 10 0 CEAERO CC(C)[NH2+]C[C@@H]1CC[C@H](CN(C)CC(F)(F)F)O1 ZINC000052483391 519723869 /nfs/dbraw/zinc/72/38/69/519723869.db2.gz HWUZGPBPIWIOGZ-WDEREUQCSA-N 1 0 268.323 2.026 10 0 CEAERO CC(C)C[NH+]1CCN(C[C@@H]2CCCCC2=O)CC1 ZINC000055081603 519726450 /nfs/dbraw/zinc/72/64/50/519726450.db2.gz SEGGQKABWGBSAX-AWEZNQCLSA-N 1 0 252.402 2.019 10 0 CEAERO CC(C)C[NH2+]C[C@H]1CC[C@@H](COC[C@@H]2CCCCO2)O1 ZINC000052605260 519746523 /nfs/dbraw/zinc/74/65/23/519746523.db2.gz MEDKXVUCBJHGNC-PMPSAXMXSA-N 1 0 285.428 2.365 10 0 CEAERO CC(C)C[NH2+]Cc1cc(F)ccc1N(C)C[C@@H](C)O ZINC000062738130 519746740 /nfs/dbraw/zinc/74/67/40/519746740.db2.gz CHVHJQQVJNCBRZ-GFCCVEGCSA-N 1 0 268.376 2.388 10 0 CEAERO CC(C)C[NH2+]Cc1cccc(O[C@@H]2CCCCNC2=O)c1 ZINC000062731420 519747707 /nfs/dbraw/zinc/74/77/07/519747707.db2.gz HZWHCPIFHAMXOZ-MRXNPFEDSA-N 1 0 290.407 2.480 10 0 CEAERO CC(C)C[C@@H](CN(C)C)[NH2+][C@@H](C)C(=O)N1CCCCCC1 ZINC000049555900 519776043 /nfs/dbraw/zinc/77/60/43/519776043.db2.gz ZSJZOIJEOSDLLV-HOTGVXAUSA-N 1 0 297.487 2.343 10 0 CEAERO CC(C)C[C@@H](C[NH+](C)C)Nc1nccn(CC(C)C)c1=O ZINC000061765416 519776264 /nfs/dbraw/zinc/77/62/64/519776264.db2.gz JOESKTIJTHKMLI-AWEZNQCLSA-N 1 0 294.443 2.288 10 0 CEAERO CC(C)Oc1cccc(C(=O)N2CCCC[C@@H]2C[NH3+])c1 ZINC000061666831 519782334 /nfs/dbraw/zinc/78/23/34/519782334.db2.gz JYZAKSIKXJKMSP-CQSZACIVSA-N 1 0 276.380 2.427 10 0 CEAERO CC(C)[C@@H](CN(C)C)[NH2+]CCCOCC(F)(F)F ZINC000049312468 519793519 /nfs/dbraw/zinc/79/35/19/519793519.db2.gz FVMCHJWYTKLTHY-LLVKDONJSA-N 1 0 270.339 2.131 10 0 CEAERO CC(C)[C@@H](C[NH+](C)C)Nc1cc2c(cc1N)OCCO2 ZINC000049194638 519793863 /nfs/dbraw/zinc/79/38/63/519793863.db2.gz OOGHUKDXHVZMDH-CYBMUJFWSA-N 1 0 279.384 2.038 10 0 CEAERO CC(C)[C@@H]1CCC(=O)[C@@H](C[N@@H+]2CCCN(C)CC2)C1 ZINC000054558923 519801887 /nfs/dbraw/zinc/80/18/87/519801887.db2.gz HWOLBIPKWAHBQD-HUUCEWRRSA-N 1 0 266.429 2.265 10 0 CEAERO CC(C)[C@H]([NH3+])CCN(C)c1nnc(C(F)(F)F)s1 ZINC000160392714 519817664 /nfs/dbraw/zinc/81/76/64/519817664.db2.gz XGVKSVIBVYIUTO-SSDOTTSWSA-N 1 0 282.335 2.367 10 0 CEAERO CC(C)[C@H]1CN(Cc2cnn(C)c2)[C@H](C(C)(C)C)C[NH2+]1 ZINC000068703772 519826916 /nfs/dbraw/zinc/82/69/16/519826916.db2.gz KTFCKYGLZMXLGH-CABCVRRESA-N 1 0 278.444 2.265 10 0 CEAERO CCCN1CCO[C@H](C[NH3+])[C@@H]1c1c(F)cccc1F ZINC000070288280 519861263 /nfs/dbraw/zinc/86/12/63/519861263.db2.gz UGHSJWYFOXCGQD-TZMCWYRMSA-N 1 0 270.323 2.075 10 0 CEAERO CC(C)c1nc(CN2[C@H](C)C[NH2+]C[C@H]2C)cs1 ZINC000069134789 519863835 /nfs/dbraw/zinc/86/38/35/519863835.db2.gz CJDWJYAMAXCHJJ-GHMZBOCLSA-N 1 0 253.415 2.449 10 0 CEAERO CCCC1(C(=O)N[C@@H](C)Cc2ccco2)CC[NH2+]CC1 ZINC000062848606 519888275 /nfs/dbraw/zinc/88/82/75/519888275.db2.gz FCSKOGDLRPBSTE-ZDUSSCGKSA-N 1 0 278.396 2.497 10 0 CEAERO CCCn1nccc1[C@@H]([NH3+])c1ccc(OC)c(OC)c1 ZINC000069470432 519892446 /nfs/dbraw/zinc/89/24/46/519892446.db2.gz FEGYJRDQKJENGC-HNNXBMFYSA-N 1 0 275.352 2.358 10 0 CEAERO CCCn1nccc1[C@H]([NH3+])c1ccc(OC)c(OC)c1 ZINC000069470429 519892459 /nfs/dbraw/zinc/89/24/59/519892459.db2.gz FEGYJRDQKJENGC-OAHLLOKOSA-N 1 0 275.352 2.358 10 0 CEAERO CCN(C(=O)C1(c2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000061617632 519899641 /nfs/dbraw/zinc/89/96/41/519899641.db2.gz NHFQGZDYTBODFP-HNNXBMFYSA-N 1 0 272.392 2.319 10 0 CEAERO CCCC1CCN([C@H]2CC3(CC[C@@H]2[NH2+]C)OCCO3)CC1 ZINC000050893618 519903321 /nfs/dbraw/zinc/90/33/21/519903321.db2.gz ZCXFPDJXQXDEKM-HOTGVXAUSA-N 1 0 296.455 2.382 10 0 CEAERO CCCC1CCN(c2nnc(C)c(C)c2C(N)=[NH2+])CC1 ZINC000050893881 519904137 /nfs/dbraw/zinc/90/41/37/519904137.db2.gz PUWYHYMYNGLZKD-UHFFFAOYSA-N 1 0 275.400 2.394 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N[C@@H](C)c1ccccc1F ZINC000061293424 519905748 /nfs/dbraw/zinc/90/57/48/519905748.db2.gz VJFQUBHTPHWGMB-JTQLQIEISA-N 1 0 252.333 2.391 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1cc(C)ccc1OC ZINC000061287203 519906108 /nfs/dbraw/zinc/90/61/08/519906108.db2.gz YSPUDNRASLEGRJ-UHFFFAOYSA-N 1 0 250.342 2.330 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1cccc(C(=O)NC(C)C)c1 ZINC000061291495 519907145 /nfs/dbraw/zinc/90/71/45/519907145.db2.gz CCZVEIGYQPQJCF-UHFFFAOYSA-N 1 0 291.395 2.151 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1cccc(OCCOC)c1 ZINC000061293659 519907910 /nfs/dbraw/zinc/90/79/10/519907910.db2.gz ZMICQPKPSWLKKH-UHFFFAOYSA-N 1 0 280.368 2.038 10 0 CEAERO CC[NH2+]CCC(=O)N(C)Cc1ccc(Br)o1 ZINC000061296053 519915383 /nfs/dbraw/zinc/91/53/83/519915383.db2.gz CHYYMEHXYORKDY-UHFFFAOYSA-N 1 0 289.173 2.000 10 0 CEAERO CC[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000061287553 519918295 /nfs/dbraw/zinc/91/82/95/519918295.db2.gz CRWBGZNVLWDFAU-UHFFFAOYSA-N 1 0 271.158 2.387 10 0 CEAERO CC[NH2+]CCCc1nnc(-c2ccc(OC)c(F)c2)o1 ZINC000061669695 519920566 /nfs/dbraw/zinc/92/05/66/519920566.db2.gz WLTSUEACAMKUIH-UHFFFAOYSA-N 1 0 279.315 2.426 10 0 CEAERO CCC[NH2+]C[C@@H](CC)Cc1nnnn1-c1ccccc1 ZINC000052973504 519920988 /nfs/dbraw/zinc/92/09/88/519920988.db2.gz WARJKNDZPAHWBZ-ZDUSSCGKSA-N 1 0 273.384 2.231 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N[C@@H](C)c1ccc(OC)cc1OC ZINC000061230858 519937488 /nfs/dbraw/zinc/93/74/88/519937488.db2.gz WQMDQARQMWHQBF-NEPJUHHUSA-N 1 0 294.395 2.127 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N[C@@H](C)c1cccc(OC)c1 ZINC000061234552 519938101 /nfs/dbraw/zinc/93/81/01/519938101.db2.gz VPQFNDBMOUACQA-NEPJUHHUSA-N 1 0 264.369 2.118 10 0 CEAERO CCC[NH2+]Cc1c(-n2ccc(C)n2)nc2ccccn21 ZINC000052884776 519942614 /nfs/dbraw/zinc/94/26/14/519942614.db2.gz RUPAUCCLLVUENK-UHFFFAOYSA-N 1 0 269.352 2.328 10 0 CEAERO CCC[NH2+]Cc1c(C)nc(-c2cnccn2)nc1C ZINC000054854244 519942859 /nfs/dbraw/zinc/94/28/59/519942859.db2.gz HCKQNHAKNJANOM-UHFFFAOYSA-N 1 0 257.341 2.050 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000061234979 519943296 /nfs/dbraw/zinc/94/32/96/519943296.db2.gz KCDXLGRRDXLCSK-CYBMUJFWSA-N 1 0 286.379 2.116 10 0 CEAERO CC[NH2+]C[C@@H](Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000052950349 519945996 /nfs/dbraw/zinc/94/59/96/519945996.db2.gz GHRLXGAHNQUDBG-ZIAGYGMSSA-N 1 0 299.411 2.029 10 0 CEAERO CC[NH2+]C[C@@H](O)c1cc(Br)ccc1F ZINC000055027682 519946562 /nfs/dbraw/zinc/94/65/62/519946562.db2.gz ORWXTNFCRXEIRI-SNVBAGLBSA-N 1 0 262.122 2.231 10 0 CEAERO CC[NH2+]C[C@@H]1CC[C@@H](COc2cccc(N(C)C)c2)O1 ZINC000052703595 519954318 /nfs/dbraw/zinc/95/43/18/519954318.db2.gz VEBPKKOROHMBON-HOTGVXAUSA-N 1 0 278.396 2.289 10 0 CEAERO CC[NH2+]C[C@@H]1CC[C@@H](COc2ccccc2F)O1 ZINC000052663897 519954449 /nfs/dbraw/zinc/95/44/49/519954449.db2.gz BRBKSRARIKVPSK-RYUDHWBXSA-N 1 0 253.317 2.362 10 0 CEAERO CC[NH2+]C[C@@H]1OCCN(C)[C@@H]1c1ccc(OCC)cc1 ZINC000070285541 519955140 /nfs/dbraw/zinc/95/51/40/519955140.db2.gz OENLFHGFLYQMHU-JKSUJKDBSA-N 1 0 278.396 2.067 10 0 CEAERO CCC[NH2+]Cc1cccnc1-n1cc(Cl)cn1 ZINC000051492480 519956585 /nfs/dbraw/zinc/95/65/85/519956585.db2.gz KVYYQNDRISCKFC-UHFFFAOYSA-N 1 0 250.733 2.420 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000061227298 519961518 /nfs/dbraw/zinc/96/15/18/519961518.db2.gz FSAKEDHMOWSKJS-IKMFHRHGSA-N 1 0 264.413 2.317 10 0 CEAERO CCC[NH2+]Cc1nnnn1-c1c(C)cccc1CC ZINC000054744244 519967626 /nfs/dbraw/zinc/96/76/26/519967626.db2.gz MKNIYTPAVPDYKE-UHFFFAOYSA-N 1 0 259.357 2.033 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1cccc(Cn2ccnc2)c1 ZINC000061230538 519968463 /nfs/dbraw/zinc/96/84/63/519968463.db2.gz HGUPBXFIVWLYCY-ZDUSSCGKSA-N 1 0 286.379 2.116 10 0 CEAERO CC[NH2+]C[C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000061220303 519971632 /nfs/dbraw/zinc/97/16/32/519971632.db2.gz DFNCEEGFNJADGR-JTQLQIEISA-N 1 0 261.325 2.458 10 0 CEAERO CC[NH2+]C[C@H](Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000052950523 519972658 /nfs/dbraw/zinc/97/26/58/519972658.db2.gz IUZVLDIACOKCKY-KGLIPLIRSA-N 1 0 299.411 2.029 10 0 CEAERO CC[NH2+]C[C@H](c1ccccc1)N1CCSCC1 ZINC000052443318 519975384 /nfs/dbraw/zinc/97/53/84/519975384.db2.gz APFZKYAROBPTQI-CQSZACIVSA-N 1 0 250.411 2.386 10 0 CEAERO CC[NH2+]C[C@H]1CC[C@@H](COCc2cccs2)O1 ZINC000052706428 519980350 /nfs/dbraw/zinc/98/03/50/519980350.db2.gz IDLQLTXEJMFEQI-NEPJUHHUSA-N 1 0 255.383 2.422 10 0 CEAERO CC[NH2+]Cc1c2ccccc2oc1CN1CCOCC1 ZINC000052377888 519985360 /nfs/dbraw/zinc/98/53/60/519985360.db2.gz JWJPAVYSENDNJW-UHFFFAOYSA-N 1 0 274.364 2.375 10 0 CEAERO CCC[NH2+][C@@H](C)CCS(=O)(=O)c1ccccc1 ZINC000061702902 519986499 /nfs/dbraw/zinc/98/64/99/519986499.db2.gz OYBWICMKSLOIAC-LBPRGKRZSA-N 1 0 255.383 2.239 10 0 CEAERO CC[NH2+]Cc1cc2ccccc2nc1N1CCC[C@@H]1CO ZINC000048860768 519993492 /nfs/dbraw/zinc/99/34/92/519993492.db2.gz XIUURILKBVOLFC-OAHLLOKOSA-N 1 0 285.391 2.305 10 0 CEAERO CCOCCOC[C@H](O)C[NH2+][C@@H](CC)c1cccs1 ZINC000049530381 520000085 /nfs/dbraw/zinc/00/00/85/520000085.db2.gz XVGATWFVJPRAAN-OLZOCXBDSA-N 1 0 287.425 2.203 10 0 CEAERO CC(C)n1ccnc(N[C@@H](C)C[NH+]2CCCCC2)c1=O ZINC000061765109 520021165 /nfs/dbraw/zinc/02/11/65/520021165.db2.gz SNGBXNJSYYFWSM-ZDUSSCGKSA-N 1 0 278.400 2.111 10 0 CEAERO CC[NH2+]Cc1nccn1Cc1ccc(OC)c(F)c1 ZINC000051004977 520023175 /nfs/dbraw/zinc/02/31/75/520023175.db2.gz NIMZQXLQWNJRHF-UHFFFAOYSA-N 1 0 263.316 2.189 10 0 CEAERO CC[NH2+]Cc1nccn1Cc1ccn(-c2ccccc2)n1 ZINC000061641325 520024015 /nfs/dbraw/zinc/02/40/15/520024015.db2.gz NBXLERJHMIFBHS-UHFFFAOYSA-N 1 0 281.363 2.227 10 0 CEAERO CCC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1S(C)(=O)=O ZINC000054930146 520027075 /nfs/dbraw/zinc/02/70/75/520027075.db2.gz GVWWCJYOYGPZHE-XQQFMLRXSA-N 1 0 261.431 2.224 10 0 CEAERO CCC[NH2+][C@@H]1CCc2c1cccc2OCCS(C)(=O)=O ZINC000062799874 520027223 /nfs/dbraw/zinc/02/72/23/520027223.db2.gz OQBJWYLZVQLTPB-CQSZACIVSA-N 1 0 297.420 2.097 10 0 CEAERO CCC[NH2+][C@@](C)(CCOCCCC(C)C)C(N)=O ZINC000045474849 520036920 /nfs/dbraw/zinc/03/69/20/520036920.db2.gz KOEXNSQUZYYHRU-AWEZNQCLSA-N 1 0 258.406 2.073 10 0 CEAERO CCCN[C@@](C)(C[C@@H](C)[NH+]1CCC(CC)CC1)C(N)=O ZINC000068638259 520042187 /nfs/dbraw/zinc/04/21/87/520042187.db2.gz RXFVJFVIMBRNMP-CJNGLKHVSA-N 1 0 283.460 2.131 10 0 CEAERO CCOCCOc1cccc(C[NH2+]CCCOC)c1 ZINC000066170352 520042879 /nfs/dbraw/zinc/04/28/79/520042879.db2.gz HAUYFMKXNKCZCD-UHFFFAOYSA-N 1 0 267.369 2.228 10 0 CEAERO CCCN[C@@](C[N@@H+]1CCCC1(C)C)(C(=O)OC)C1CC1 ZINC000069232832 520051650 /nfs/dbraw/zinc/05/16/50/520051650.db2.gz WXBSAQHEEHXWLQ-MRXNPFEDSA-N 1 0 282.428 2.182 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N(Cc1cccnc1)C(C)C ZINC000061272649 520062073 /nfs/dbraw/zinc/06/20/73/520062073.db2.gz MKAHTTUOQQOTHW-ZDUSSCGKSA-N 1 0 263.385 2.207 10 0 CEAERO CCC[NH2+][C@H](C)c1ccccc1NC(=O)[C@@H]1COCCO1 ZINC000055297731 520065126 /nfs/dbraw/zinc/06/51/26/520065126.db2.gz IXXVXWZCGRKOFQ-DOMZBBRYSA-N 1 0 292.379 2.101 10 0 CEAERO CCC[NH2+][C@H](C)c1ccccc1OC[C@H](O)COC ZINC000069053549 520065612 /nfs/dbraw/zinc/06/56/12/520065612.db2.gz UIMYIVNIKHQTSW-CHWSQXEVSA-N 1 0 267.369 2.133 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N[C@H](C)Cc1c(F)cccc1F ZINC000061271552 520067201 /nfs/dbraw/zinc/06/72/01/520067201.db2.gz RIUFNZJHSWPKSU-WDEREUQCSA-N 1 0 284.350 2.400 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(=O)NC)c1 ZINC000061271586 520068772 /nfs/dbraw/zinc/06/87/72/520068772.db2.gz OXJWMQWMFMVRGG-VIFPVBQESA-N 1 0 297.786 2.026 10 0 CEAERO CCCN[C@H](CC[N@H+](C)C1CCCCC1)C(=O)OC ZINC000062443058 520069482 /nfs/dbraw/zinc/06/94/82/520069482.db2.gz QEYHLOMEJSSHOJ-CQSZACIVSA-N 1 0 270.417 2.182 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1ccc2c(c1)NC(=O)CS2 ZINC000061270939 520070183 /nfs/dbraw/zinc/07/01/83/520070183.db2.gz XYYDVRLRUQMTSB-VIFPVBQESA-N 1 0 293.392 2.057 10 0 CEAERO CC[NH2+][C@@H](C)c1c(F)cccc1Sc1n[nH]c(=O)n1C ZINC000061592949 520074978 /nfs/dbraw/zinc/07/49/78/520074978.db2.gz HRTJFCAGKHWWEX-QMMMGPOBSA-N 1 0 296.371 2.069 10 0 CEAERO CCC[NH2+][C@H](CCN1CCOCC1)c1ccccc1 ZINC000053932183 520077298 /nfs/dbraw/zinc/07/72/98/520077298.db2.gz WDXNKQNQVHFZPI-MRXNPFEDSA-N 1 0 262.397 2.450 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(OCCO)c(Br)c1 ZINC000061698633 520078454 /nfs/dbraw/zinc/07/84/54/520078454.db2.gz ICEGUKGVBKJNRB-VIFPVBQESA-N 1 0 288.185 2.491 10 0 CEAERO CCC[NH2+][C@H](CS(C)(=O)=O)c1ccc(OC)c(C)c1 ZINC000070129072 520085735 /nfs/dbraw/zinc/08/57/35/520085735.db2.gz BSCIRAXWFDEGQW-CYBMUJFWSA-N 1 0 285.409 2.089 10 0 CEAERO CCC[NH2+][C@H]1CCc2c1cccc2OCCOCCO ZINC000062799843 520097283 /nfs/dbraw/zinc/09/72/83/520097283.db2.gz RGYOLPIQUVLYIS-HNNXBMFYSA-N 1 0 279.380 2.061 10 0 CEAERO CC[NH2+][C@@H](c1ccc(OC)cc1Cl)[C@H]1COCCO1 ZINC000055300805 520112296 /nfs/dbraw/zinc/11/22/96/520112296.db2.gz UYYMWBKTPAVXAR-KGLIPLIRSA-N 1 0 285.771 2.415 10 0 CEAERO CCC[NH2+][C@](C)(C[C@H](C)n1nc(C)c(C)c1C)C(N)=O ZINC000068649120 520117865 /nfs/dbraw/zinc/11/78/65/520117865.db2.gz AKFHDMLCOHNLSQ-ZUZCIYMTSA-N 1 0 280.416 2.003 10 0 CEAERO CCCN[C@](C[N@H+](C)[C@@H]1CCCC[C@@H]1C)(C(N)=O)C1CC1 ZINC000069132430 520118799 /nfs/dbraw/zinc/11/87/99/520118799.db2.gz FKRBVDJZHYCPGN-LXZKKBNFSA-N 1 0 295.471 2.131 10 0 CEAERO CC[NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1=O ZINC000049648550 520120706 /nfs/dbraw/zinc/12/07/06/520120706.db2.gz UAGKSWXCZZTSDT-LLVKDONJSA-N 1 0 283.169 2.164 10 0 CEAERO CC[NH2+][C@@H]1CCc2c1cccc2OCCCS(C)(=O)=O ZINC000063014508 520122789 /nfs/dbraw/zinc/12/27/89/520122789.db2.gz VOVQMISPGFWYTF-CQSZACIVSA-N 1 0 297.420 2.097 10 0 CEAERO CCCCC[N@H+](CC(=O)CC(=O)OCC)C(C)C ZINC000068813910 520155182 /nfs/dbraw/zinc/15/51/82/520155182.db2.gz HOZGZPPOXYAFSI-UHFFFAOYSA-N 1 0 257.374 2.409 10 0 CEAERO CCOC[C@H](O)COc1c(Cl)cc(Cl)cc1C[NH3+] ZINC000069275574 520164039 /nfs/dbraw/zinc/16/40/39/520164039.db2.gz SDEGFRZHCQYGSV-JTQLQIEISA-N 1 0 294.178 2.228 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N[C@H]1CCc2ccccc2C1 ZINC000061274667 520168798 /nfs/dbraw/zinc/16/87/98/520168798.db2.gz SWGDFBARXRODMX-DOMZBBRYSA-N 1 0 260.381 2.048 10 0 CEAERO CC[NH2+][C@H](C)CCc1ccc(O[C@@H](CC)C(N)=O)cc1 ZINC000061675846 520172656 /nfs/dbraw/zinc/17/26/56/520172656.db2.gz ALZUXWCDAJSHJZ-DOMZBBRYSA-N 1 0 278.396 2.260 10 0 CEAERO CCCNc1cccc(C(=O)N2CCC[C@H]2C[NH+](C)C)n1 ZINC000061656008 520173014 /nfs/dbraw/zinc/17/30/14/520173014.db2.gz BVWWETHVYOPBLL-ZDUSSCGKSA-N 1 0 290.411 2.070 10 0 CEAERO CC[NH2+][C@H](C)Cc1nnc2ccc(C(F)(F)F)cn21 ZINC000061212769 520176593 /nfs/dbraw/zinc/17/65/93/520176593.db2.gz MFSSWBSMVYWQMQ-MRVPVSSYSA-N 1 0 272.274 2.289 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(F)cc1OCCC(=O)OC ZINC000069317641 520177558 /nfs/dbraw/zinc/17/75/58/520177558.db2.gz YWMWLDHDXPFGJW-SNVBAGLBSA-N 1 0 269.316 2.438 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(F)cc1O[C@H](C)C(=O)NC ZINC000062747037 520178788 /nfs/dbraw/zinc/17/87/88/520178788.db2.gz QFHGBCPJMORMHK-NXEZZACHSA-N 1 0 268.332 2.010 10 0 CEAERO CC[NH2+][C@H](C)c1nnc(-c2ccc3c(c2)OCO3)o1 ZINC000050619028 520183844 /nfs/dbraw/zinc/18/38/44/520183844.db2.gz SXAIBEDRXXWNOQ-MRVPVSSYSA-N 1 0 261.281 2.136 10 0 CEAERO CCN[C@H](CC[NH+]1CCC(CC)(CC)CC1)C(=O)OC ZINC000062956437 520189681 /nfs/dbraw/zinc/18/96/81/520189681.db2.gz ZEWXYGPCIFRKLN-CQSZACIVSA-N 1 0 284.444 2.430 10 0 CEAERO CCCNc1ncccc1CN1CC[NH+](CC2CC2)CC1 ZINC000052731393 520196431 /nfs/dbraw/zinc/19/64/31/520196431.db2.gz OPPNNVSHWVAHAO-UHFFFAOYSA-N 1 0 288.439 2.431 10 0 CEAERO CCCNc1ncccc1CN1CC[NH+](CC)CC1 ZINC000052709716 520196972 /nfs/dbraw/zinc/19/69/72/520196972.db2.gz MJTHNURDJBEKOC-UHFFFAOYSA-N 1 0 262.401 2.041 10 0 CEAERO CC[NH2+][C@H](CS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000052789148 520200894 /nfs/dbraw/zinc/20/08/94/520200894.db2.gz QCHLVACFLSFUCS-LLVKDONJSA-N 1 0 261.774 2.035 10 0 CEAERO CC[NH2+][C@H](Cc1cnn(CC)c1)Cc1ccccn1 ZINC000050542779 520204348 /nfs/dbraw/zinc/20/43/48/520204348.db2.gz LMGRQAJGQAZVTD-OAHLLOKOSA-N 1 0 258.369 2.061 10 0 CEAERO CC[NH2+][C@H]1CCc2c1cccc2OCCS(=O)(=O)CC ZINC000062799611 520219825 /nfs/dbraw/zinc/21/98/25/520219825.db2.gz VJKRPONAHXEOOG-AWEZNQCLSA-N 1 0 297.420 2.097 10 0 CEAERO CC[NH2+][C@H]1COc2cc(OCc3nccn3C)ccc21 ZINC000062804690 520222226 /nfs/dbraw/zinc/22/22/26/520222226.db2.gz YWWPXMXEMRNJIK-ZDUSSCGKSA-N 1 0 273.336 2.042 10 0 CEAERO CC[NH2+][C@](C)(CCCC[N@H+](CC)CC1CC1)C(=O)[O-] ZINC000069239530 520228279 /nfs/dbraw/zinc/22/82/79/520228279.db2.gz UWMYPVHVXLOVCC-OAHLLOKOSA-N 1 0 270.417 2.341 10 0 CEAERO CC[NH2+][C@](C)(C[C@H](C)Oc1ccc(C)cc1C)C(N)=O ZINC000068655184 520241385 /nfs/dbraw/zinc/24/13/85/520241385.db2.gz VEPYQGVYFREOEV-XJKSGUPXSA-N 1 0 278.396 2.314 10 0 CEAERO CCN[C@](C[N@H+](CC)C(C)C)(C(=O)OCC)C1CC1 ZINC000069097175 520245161 /nfs/dbraw/zinc/24/51/61/520245161.db2.gz OHIPTVYRCVTZTN-HNNXBMFYSA-N 1 0 270.417 2.038 10 0 CEAERO CCCCC[C@H](C[NH2+]C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000052951550 520311060 /nfs/dbraw/zinc/31/10/60/520311060.db2.gz SMWVUVRYNPGTOA-CHWSQXEVSA-N 1 0 273.442 2.370 10 0 CEAERO CCO[C@@H]1CCCN(c2ccccc2C[NH2+]CCOC)C1 ZINC000062737550 520322863 /nfs/dbraw/zinc/32/28/63/520322863.db2.gz YQRZLLZRRFHHFG-MRXNPFEDSA-N 1 0 292.423 2.428 10 0 CEAERO CC1(C)CC[NH+](CC(=O)Nc2ccccc2N)CC1 ZINC000061818153 520378968 /nfs/dbraw/zinc/37/89/68/520378968.db2.gz ZNGIWRQMFHADGK-UHFFFAOYSA-N 1 0 261.369 2.329 10 0 CEAERO CCCOc1ccc([C@@H](C[NH3+])N(CC)CCOC)cc1 ZINC000052920083 520416940 /nfs/dbraw/zinc/41/69/40/520416940.db2.gz FAKAQYADVKOSKB-MRXNPFEDSA-N 1 0 280.412 2.444 10 0 CEAERO CCN(CC(F)(F)F)C(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000051094452 520421570 /nfs/dbraw/zinc/42/15/70/520421570.db2.gz LQKKGGJMNNIRJN-UHFFFAOYSA-N 1 0 296.680 2.045 10 0 CEAERO CCN(CC(F)(F)F)c1ncc(C[NH2+]CCOC)s1 ZINC000054906113 520423674 /nfs/dbraw/zinc/42/36/74/520423674.db2.gz POJDIQZKKQUQDH-UHFFFAOYSA-N 1 0 297.346 2.268 10 0 CEAERO CCCOc1cccc([C@@H](C[NH3+])N(C)[C@@H](C)COC)c1 ZINC000052921149 520464551 /nfs/dbraw/zinc/46/45/51/520464551.db2.gz OBTVMTDHHSYBFQ-XJKSGUPXSA-N 1 0 280.412 2.442 10 0 CEAERO CCCOc1cccc([C@@H]([NH2+][C@@H](C)CC)C(N)=O)c1 ZINC000052921488 520465732 /nfs/dbraw/zinc/46/57/32/520465732.db2.gz KVFJVCHQBLBFTH-SMDDNHRTSA-N 1 0 264.369 2.390 10 0 CEAERO CCCOc1cccc([C@H](C[NH3+])N(CC)CCOC)c1 ZINC000052921142 520466714 /nfs/dbraw/zinc/46/67/14/520466714.db2.gz BEKVFZJOBCYCMS-INIZCTEOSA-N 1 0 280.412 2.444 10 0 CEAERO CCCC[N@H+](CC)C[C@@](NC1CC1)(C(=O)OC)C1CC1 ZINC000069090159 520477708 /nfs/dbraw/zinc/47/77/08/520477708.db2.gz WCVFKESRPXENRK-INIZCTEOSA-N 1 0 282.428 2.182 10 0 CEAERO CC1(C)COCCN1[C@@H](C[NH3+])c1cccc2cccnc21 ZINC000069502606 520508291 /nfs/dbraw/zinc/50/82/91/520508291.db2.gz KTNKJWPABPOIPU-HNNXBMFYSA-N 1 0 285.391 2.345 10 0 CEAERO CCCC[N@H+](CCC[C@@](C)([NH2+]C)C(=O)[O-])C1CC1 ZINC000045421752 520509225 /nfs/dbraw/zinc/50/92/25/520509225.db2.gz BGZPTRHBINOMLD-CQSZACIVSA-N 1 0 256.390 2.094 10 0 CEAERO CCO[C@H](C[NH3+])CCOCCCc1ccccc1 ZINC000062741841 520516806 /nfs/dbraw/zinc/51/68/06/520516806.db2.gz KSLBRJFTKYBBFF-HNNXBMFYSA-N 1 0 251.370 2.390 10 0 CEAERO CCCC[N@H+](CCO)[C@@H](CC(N)=S)c1ccccc1 ZINC000055025111 520525253 /nfs/dbraw/zinc/52/52/53/520525253.db2.gz QHHILHMDNJMWJB-AWEZNQCLSA-N 1 0 280.437 2.498 10 0 CEAERO CCO[C@H]1CCCN([C@@H](C[NH2+]C)c2ccccc2)C1 ZINC000052372338 520527516 /nfs/dbraw/zinc/52/75/16/520527516.db2.gz NNUYRFYIBJXRQN-HOTGVXAUSA-N 1 0 262.397 2.448 10 0 CEAERO CCCC[N@H+](CC[C@H](NC(C)C)C(N)=O)[C@@H](C)CC ZINC000062527586 520538107 /nfs/dbraw/zinc/53/81/07/520538107.db2.gz UGUAFGZTNWQXMJ-KBPBESRZSA-N 1 0 271.449 2.129 10 0 CEAERO CCN(CC)C(=O)c1cc(N[C@H]2CCCC[NH2+]C2)ccn1 ZINC000070121262 520544657 /nfs/dbraw/zinc/54/46/57/520544657.db2.gz AMXJMCPWZHEXFT-AWEZNQCLSA-N 1 0 290.411 2.118 10 0 CEAERO CCC[C@@H](C)NC(=O)[C@@H](C)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063190402 520657811 /nfs/dbraw/zinc/65/78/11/520657811.db2.gz BLNHVABWBJAEAO-LVQVYYBASA-N 1 0 295.471 2.286 10 0 CEAERO CCN(CC)CC[NH2+]CCn1cc(-c2ccccc2)cn1 ZINC000054962241 520688372 /nfs/dbraw/zinc/68/83/72/520688372.db2.gz WOPRNZNSIXWQEI-UHFFFAOYSA-N 1 0 286.423 2.482 10 0 CEAERO CCOC(=O)CC[C@@H]([NH3+])c1cc(OC)c(OC)cc1F ZINC000061561755 520705502 /nfs/dbraw/zinc/70/55/02/520705502.db2.gz PBFAJZUXQXOFCH-LLVKDONJSA-N 1 0 285.315 2.186 10 0 CEAERO CC[NH+](CC)C[C@H](C)NC(=O)c1cc(C)ccc1NC ZINC000053004271 520733925 /nfs/dbraw/zinc/73/39/25/520733925.db2.gz ZIDGIKNVLKEBHD-ZDUSSCGKSA-N 1 0 277.412 2.497 10 0 CEAERO CCC[C@@H](NC(=O)[C@H]1CCC[NH2+]1)c1cccs1 ZINC000049546950 520747928 /nfs/dbraw/zinc/74/79/28/520747928.db2.gz OQPVSTKYEDQLFP-GHMZBOCLSA-N 1 0 252.383 2.458 10 0 CEAERO CCCCOCC[NH2+]CCCOCC(F)(F)F ZINC000049312409 520781684 /nfs/dbraw/zinc/78/16/84/520781684.db2.gz FPSLYNWMWPIKDC-UHFFFAOYSA-N 1 0 257.296 2.362 10 0 CEAERO CCOc1cc2c(cc1[C@@H](O)C[NH2+]C1CC1)O[C@H](C)C2 ZINC000055029085 520801119 /nfs/dbraw/zinc/80/11/19/520801119.db2.gz WSOXJOZZADYYCR-YGRLFVJLSA-N 1 0 277.364 2.194 10 0 CEAERO CCOc1cc2c(cc1[C@@H](O)C[NH2+]C(C)C)O[C@@H](C)C2 ZINC000055028696 520801263 /nfs/dbraw/zinc/80/12/63/520801263.db2.gz UKDIZANBBRZEOE-FZMZJTMJSA-N 1 0 279.380 2.440 10 0 CEAERO CC[NH+](CC)[C@H]1CCN(c2ccc(CO)c(C)c2)C1 ZINC000062966445 520874319 /nfs/dbraw/zinc/87/43/19/520874319.db2.gz CKKCQYROLTXGJC-INIZCTEOSA-N 1 0 262.397 2.408 10 0 CEAERO CCOc1ccc(C(=O)N2C[C@H](C[NH3+])CC[C@@H]2C)cc1 ZINC000070180644 520901038 /nfs/dbraw/zinc/90/10/38/520901038.db2.gz IMAKNFOEPZXKLE-STQMWFEESA-N 1 0 276.380 2.285 10 0 CEAERO CCOc1ccc(C(=O)N[C@@H]2CCC[C@H]2[NH3+])cc1OCC ZINC000063174116 520913381 /nfs/dbraw/zinc/91/33/81/520913381.db2.gz KJFQHLLUWBGHNB-CHWSQXEVSA-N 1 0 292.379 2.094 10 0 CEAERO CC1CCC(N(C)C(=O)c2ccc(NN)[nH+]c2)CC1 ZINC000051124344 520936206 /nfs/dbraw/zinc/93/62/06/520936206.db2.gz GRZLELPCXBZSPY-UHFFFAOYSA-N 1 0 262.357 2.018 10 0 CEAERO CCC[C@@]1(C(=O)N2C[C@H]3CC[C@@H]2C3)CCC[NH2+]C1 ZINC000062860093 520942688 /nfs/dbraw/zinc/94/26/88/520942688.db2.gz FJSXMTOPGFGICL-GZBFAFLISA-N 1 0 250.386 2.167 10 0 CEAERO CCCCSC[C@@]([NH2+]C(C)C)(C(N)=O)C1CC1 ZINC000069184161 520956667 /nfs/dbraw/zinc/95/66/67/520956667.db2.gz DCTONKYNXXTKMC-ZDUSSCGKSA-N 1 0 258.431 2.152 10 0 CEAERO CC[N@H+](CCC(=O)Nc1ccc(F)cc1N)CC1CC1 ZINC000069236909 520981785 /nfs/dbraw/zinc/98/17/85/520981785.db2.gz HYXQXSYVWJPKQX-UHFFFAOYSA-N 1 0 279.359 2.468 10 0 CEAERO CCOc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+]C ZINC000054074632 521015137 /nfs/dbraw/zinc/01/51/37/521015137.db2.gz FLZOFQAJJIPATC-QMMMGPOBSA-N 1 0 256.733 2.285 10 0 CEAERO CCOC(=O)[C@@H](C)Oc1cc(F)ccc1[C@@H](C)[NH3+] ZINC000062745296 521032649 /nfs/dbraw/zinc/03/26/49/521032649.db2.gz LUUTVVPYSMZDHY-RKDXNWHRSA-N 1 0 255.289 2.176 10 0 CEAERO CCCC[C@@H](CC)COCC[C@@H]([NH2+]CC)C(N)=O ZINC000062543021 521038454 /nfs/dbraw/zinc/03/84/54/521038454.db2.gz OLVSGHFWKXGMFT-CHWSQXEVSA-N 1 0 258.406 2.073 10 0 CEAERO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](CC(C)C)CN(C)C ZINC000049555877 521049693 /nfs/dbraw/zinc/04/96/93/521049693.db2.gz CRLVCNXQMWRECB-ZNMIVQPWSA-N 1 0 285.476 2.246 10 0 CEAERO CCC[C@H](C)[NH2+]CCn1c2ccccc2nc(C)c1=O ZINC000053537459 521059981 /nfs/dbraw/zinc/05/99/81/521059981.db2.gz OXVNQVJGGHACLG-LBPRGKRZSA-N 1 0 273.380 2.483 10 0 CEAERO CCOC(=O)[C@@](C)(CCC[N@H+](C)C(C)(C)CC)NC ZINC000069443271 521145173 /nfs/dbraw/zinc/14/51/73/521145173.db2.gz PWCZQHHIQUGSCK-OAHLLOKOSA-N 1 0 272.433 2.428 10 0 CEAERO CCCC[C@H](C)[NH2+][C@@H]1CC(=O)N(C(CC)CC)C1=O ZINC000050887996 521152435 /nfs/dbraw/zinc/15/24/35/521152435.db2.gz CGKKKVGSWKSQDM-WCQYABFASA-N 1 0 268.401 2.471 10 0 CEAERO CCOC(=O)[C@@](C[N@H+](CC)CC1CC1)(NC1CC1)C1CC1 ZINC000069239498 521167538 /nfs/dbraw/zinc/16/75/38/521167538.db2.gz SGWXZCDKLZUMEN-KRWDZBQOSA-N 1 0 294.439 2.182 10 0 CEAERO CCCC[C@H]([NH3+])C(=O)Nc1nc2c(s1)CCC2 ZINC000049547805 521216018 /nfs/dbraw/zinc/21/60/18/521216018.db2.gz GUFWIBIZUDLOTC-QMMMGPOBSA-N 1 0 253.371 2.088 10 0 CEAERO CCOC(=O)[C@H](C)Oc1ccc([C@@H](C)[NH2+]C)cc1OC ZINC000049954794 521216438 /nfs/dbraw/zinc/21/64/38/521216438.db2.gz FLCWTCWTGPNOTA-MNOVXSKESA-N 1 0 281.352 2.306 10 0 CEAERO CCC[C@H]1CN(CCOCCOC)C(CC)(CC)C[NH2+]1 ZINC000068702132 521222206 /nfs/dbraw/zinc/22/22/06/521222206.db2.gz LRYHPVDIIGBBFW-HNNXBMFYSA-N 1 0 286.460 2.282 10 0 CEAERO CCOc1ccc([C@](O)([C@H](C)[NH3+])C(F)(F)F)cc1 ZINC000062784300 521277370 /nfs/dbraw/zinc/27/73/70/521277370.db2.gz YRDKJLFEPJWQEK-GZMMTYOYSA-N 1 0 263.259 2.182 10 0 CEAERO CCOc1ccc([C@](O)(C[NH3+])C(F)(F)F)cc1OCC ZINC000062784462 521277854 /nfs/dbraw/zinc/27/78/54/521277854.db2.gz ZUIXIVAWPMDXMR-GFCCVEGCSA-N 1 0 293.285 2.193 10 0 CEAERO CCC[C@]1(C(=O)N2CCn3c(C)ccc3[C@H]2C)CC[NH2+]C1 ZINC000062894453 521299278 /nfs/dbraw/zinc/29/92/78/521299278.db2.gz UXIFAEFNLIZJCI-PBHICJAKSA-N 1 0 289.423 2.480 10 0 CEAERO CCC[C@]1(C(=O)Nc2nc(C)cs2)CC[NH2+]C1 ZINC000062889652 521300903 /nfs/dbraw/zinc/30/09/03/521300903.db2.gz UIKGFUSOXPIMTE-LBPRGKRZSA-N 1 0 253.371 2.170 10 0 CEAERO CCC(C)(C)N(C)S(=O)(=O)c1cccc2c1CC[NH2+]C2 ZINC000069455927 521309947 /nfs/dbraw/zinc/30/99/47/521309947.db2.gz JCJNEFAEJURHLA-UHFFFAOYSA-N 1 0 296.436 2.141 10 0 CEAERO CCOc1cccc(-n2nnc([C@@H](C)[NH2+]C)c2C)c1 ZINC000049570220 521314325 /nfs/dbraw/zinc/31/43/25/521314325.db2.gz CLBRXBDGVZQIAX-SNVBAGLBSA-N 1 0 260.341 2.255 10 0 CEAERO CCOC(=O)[C@](C)([NH3+])CCn1c(CC)nc2ccccc21 ZINC000062807984 521327659 /nfs/dbraw/zinc/32/76/59/521327659.db2.gz JAWYYYLPOYIPIU-MRXNPFEDSA-N 1 0 289.379 2.269 10 0 CEAERO CCOc1cccc(C[NH3+])c1OC1CCOCC1 ZINC000069288500 521332918 /nfs/dbraw/zinc/33/29/18/521332918.db2.gz WAIFKYDOGMNZKX-UHFFFAOYSA-N 1 0 251.326 2.102 10 0 CEAERO CCC(C)(C)[C@@H]1CC[C@@H]([NH2+]C)[C@H](S(C)(=O)=O)C1 ZINC000054930174 521362372 /nfs/dbraw/zinc/36/23/72/521362372.db2.gz CSDSZEHULNEQID-IJLUTSLNSA-N 1 0 261.431 2.224 10 0 CEAERO CCOc1cccc(C[C@H]([NH3+])CC)c1O[C@@H](CC)C(N)=O ZINC000061678432 521379618 /nfs/dbraw/zinc/37/96/18/521379618.db2.gz HOZLJKYFWLONOQ-OLZOCXBDSA-N 1 0 294.395 2.008 10 0 CEAERO CCCc1ccc(OCC[C@@H]([NH2+]C(C)C)C(N)=O)cc1 ZINC000062596194 521404179 /nfs/dbraw/zinc/40/41/79/521404179.db2.gz YKFWHTGTQJMURZ-OAHLLOKOSA-N 1 0 278.396 2.260 10 0 CEAERO CCCc1ccc(S(=O)(=O)N[C@@H](CC)CC[NH3+])cc1 ZINC000054162001 521410772 /nfs/dbraw/zinc/41/07/72/521410772.db2.gz LSSHWLZIZYTNBJ-ZDUSSCGKSA-N 1 0 284.425 2.045 10 0 CEAERO CCCc1ccc([C@@H](Cn2nc(C)ccc2=O)[NH2+]C)cc1 ZINC000061810250 521413683 /nfs/dbraw/zinc/41/36/83/521413683.db2.gz YCYKZRLNEPVENC-MRXNPFEDSA-N 1 0 285.391 2.465 10 0 CEAERO CCCc1nc(Cn2nc(C)c(C[NH3+])c2C)cs1 ZINC000049276608 521527009 /nfs/dbraw/zinc/52/70/09/521527009.db2.gz IMGHRRYZTQWALS-UHFFFAOYSA-N 1 0 264.398 2.416 10 0 CEAERO CCC(CC)N(CCOC)C(=O)[C@H]1[C@H](C)CCC[C@@H]1[NH3+] ZINC000055133762 521556737 /nfs/dbraw/zinc/55/67/37/521556737.db2.gz SBHCZHJFLMVCFJ-SNPRPXQTSA-N 1 0 284.444 2.414 10 0 CEAERO CCC(CC)NC(=O)[C@@H](C)[NH2+]C[C@H](C)CSC ZINC000069448201 521587149 /nfs/dbraw/zinc/58/71/49/521587149.db2.gz KZSZSPZXQADBED-WDEREUQCSA-N 1 0 260.447 2.268 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2ccccc2C(N)=S)C1 ZINC000049224603 521627808 /nfs/dbraw/zinc/62/78/08/521627808.db2.gz QPEIYDYABXCCNM-LLVKDONJSA-N 1 0 263.410 2.217 10 0 CEAERO CCCn1c2ccc([C@@H]([NH3+])C3CCOCC3)cc2oc1=O ZINC000061672277 521637469 /nfs/dbraw/zinc/63/74/69/521637469.db2.gz IYZPUFYYRGQPPQ-HNNXBMFYSA-N 1 0 290.363 2.431 10 0 CEAERO CCS(=O)(=O)CC[C@]1(C[NH2+]C)CCCc2ccccc21 ZINC000054662420 521645836 /nfs/dbraw/zinc/64/58/36/521645836.db2.gz DYWXGLTUEFOYSU-INIZCTEOSA-N 1 0 295.448 2.305 10 0 CEAERO CCOC1CCN([C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000069266079 521656912 /nfs/dbraw/zinc/65/69/12/521656912.db2.gz JIRAXRXOWCTGQZ-MRXNPFEDSA-N 1 0 260.381 2.332 10 0 CEAERO CCCN(CC[NH2+]C)c1ccc(S(=O)(=O)CCC)cc1 ZINC000053707392 521660959 /nfs/dbraw/zinc/66/09/59/521660959.db2.gz ULUSXTQSJXFHEC-UHFFFAOYSA-N 1 0 298.452 2.306 10 0 CEAERO CCC1(C(=O)N2C[C@H](C)C[C@H](C)C2)CC[NH2+]CC1 ZINC000062847793 521664636 /nfs/dbraw/zinc/66/46/36/521664636.db2.gz LRKNOINMEDJFLQ-BETUJISGSA-N 1 0 252.402 2.271 10 0 CEAERO CCN1CC[NH+](C[C@@H]2C[C@@H](C(C)C)CCC2=O)CC1 ZINC000054558838 521685804 /nfs/dbraw/zinc/68/58/04/521685804.db2.gz IZRAYLCUOFDCSZ-GJZGRUSLSA-N 1 0 266.429 2.265 10 0 CEAERO CCC1(CC)CC[NH+](C[C@](NC)(C(=O)OC)C2CC2)CC1 ZINC000069232555 521687573 /nfs/dbraw/zinc/68/75/73/521687573.db2.gz VTQBQEURMGCCIG-QGZVFWFLSA-N 1 0 296.455 2.430 10 0 CEAERO CCS(=O)(=O)c1ccc(N2C[C@H](C[NH3+])CC[C@@H]2C)cc1 ZINC000053704419 521689053 /nfs/dbraw/zinc/68/90/53/521689053.db2.gz RYRZNUJFOCBTAL-STQMWFEESA-N 1 0 296.436 2.044 10 0 CEAERO CCS(=O)(=O)c1ccccc1N1C[C@@H](C[NH3+])CC[C@@H]1C ZINC000053704495 521694094 /nfs/dbraw/zinc/69/40/94/521694094.db2.gz WBISOHBTEQSFTJ-QWHCGFSZSA-N 1 0 296.436 2.044 10 0 CEAERO CCCN([C@@](C)(CC)C[NH3+])S(=O)(=O)Cc1ccccc1 ZINC000050093585 521696815 /nfs/dbraw/zinc/69/68/15/521696815.db2.gz RBJXYZLUGUXOHD-HNNXBMFYSA-N 1 0 298.452 2.356 10 0 CEAERO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(Cl)ccc2NC)C1 ZINC000050770027 521716893 /nfs/dbraw/zinc/71/68/93/521716893.db2.gz AUIOOZWKLUJZKT-LLVKDONJSA-N 1 0 295.814 2.453 10 0 CEAERO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(F)c(NC)c(F)c2)C1 ZINC000063005693 521717221 /nfs/dbraw/zinc/71/72/21/521717221.db2.gz JSTKKXHNXGGEDU-SNVBAGLBSA-N 1 0 297.349 2.078 10 0 CEAERO CCc1cccc(NC(=O)c2cc[nH+]c(NN)c2)c1 ZINC000051112632 521769977 /nfs/dbraw/zinc/76/99/77/521769977.db2.gz CHQYEXLJCMJOGV-UHFFFAOYSA-N 1 0 256.309 2.182 10 0 CEAERO CC[C@H](C)Oc1cccc(N2CC[C@@H]([NH2+]C)C2=O)c1 ZINC000051781040 521776606 /nfs/dbraw/zinc/77/66/06/521776606.db2.gz HYXUUMOWGOCCAR-SMDDNHRTSA-N 1 0 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285.391 2.258 10 0 CEAERO COc1cc(-c2nc3c(c(NN)[nH+]2)CCCC3)ccc1O ZINC000051168953 521902379 /nfs/dbraw/zinc/90/23/79/521902379.db2.gz LERPTDNXNWOXLS-UHFFFAOYSA-N 1 0 286.335 2.022 10 0 CEAERO COc1cc(-c2nccc(C[NH3+])n2)cc(Cl)c1OC ZINC000054791115 521908892 /nfs/dbraw/zinc/90/88/92/521908892.db2.gz DLKUUJPZAQXFKU-UHFFFAOYSA-N 1 0 279.727 2.273 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N(C)Cc1cccc(Br)c1 ZINC000061317858 521931598 /nfs/dbraw/zinc/93/15/98/521931598.db2.gz VAOAPTWUQKJYTL-UHFFFAOYSA-N 1 0 299.212 2.406 10 0 CEAERO C[NH2+]C(C)(C)C(=O)Nc1cccc2c(O)cccc12 ZINC000061316307 521944671 /nfs/dbraw/zinc/94/46/71/521944671.db2.gz NZDWOSIWBBXSLF-UHFFFAOYSA-N 1 0 258.321 2.482 10 0 CEAERO C[NH2+]C[C@@H](Cc1ccc(C)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000052950227 522034294 /nfs/dbraw/zinc/03/42/94/522034294.db2.gz GOIHUSHYRFKIJR-HZPDHXFCSA-N 1 0 295.448 2.116 10 0 CEAERO C[NH2+]C[C@@H](c1ccccc1)N1CCCSCC1 ZINC000052371182 522038010 /nfs/dbraw/zinc/03/80/10/522038010.db2.gz ACLDLWZXRMXMSK-AWEZNQCLSA-N 1 0 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KCVPACRDUYMEAF-CYBMUJFWSA-N 1 0 286.297 2.449 10 0 CEAERO C[C@H](NC(=O)[C@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1F ZINC000049532336 525178392 /nfs/dbraw/zinc/17/83/92/525178392.db2.gz BQJNFOGXGKHHNK-WOPDTQHZSA-N 1 0 264.344 2.391 10 0 CEAERO C[C@H](NC(=O)[C@]1(C)CCC[NH2+]C1)c1ccccc1F ZINC000062856146 525189934 /nfs/dbraw/zinc/18/99/34/525189934.db2.gz LISVIHUPVSHJNM-XHDPSFHLSA-N 1 0 264.344 2.393 10 0 CEAERO C[C@@H](NC(=O)[C@@H](C)C1C[NH2+]C1)c1ccc(Cl)s1 ZINC000163991317 525256557 /nfs/dbraw/zinc/25/65/57/525256557.db2.gz GCLYXKATTCZWQT-JGVFFNPUSA-N 1 0 272.801 2.434 10 0 CEAERO C[C@@H](NC(=O)[C@@H](C)C1C[NH2+]C1)c1cccc(Cl)c1 ZINC000164314791 525257092 /nfs/dbraw/zinc/25/70/92/525257092.db2.gz RLNYJGPDHYWWGM-VHSXEESVSA-N 1 0 266.772 2.373 10 0 CEAERO C[C@@H](NC(=O)[C@@H](C[NH3+])c1ccccc1)c1cccnc1 ZINC000061611304 525262518 /nfs/dbraw/zinc/26/25/18/525262518.db2.gz AGPSJMSZHFAZLP-DOMZBBRYSA-N 1 0 269.348 2.001 10 0 CEAERO C[C@@H](NC(=O)[C@@]1(C)CCC[NH2+]C1)c1ccccc1F ZINC000062856149 525278221 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CSC[C@@H](C)C[NH2+]C[C@@H](O)c1ccc2c(c1)OCCO2 ZINC000069447839 525622369 /nfs/dbraw/zinc/62/23/69/525622369.db2.gz PWYSZNYHBZIWMI-WCQYABFASA-N 1 0 297.420 2.080 10 0 CEAERO CSC[C@H](C)C[NH2+][C@H](C)C(=O)N1CCCCCC1 ZINC000069448128 525683110 /nfs/dbraw/zinc/68/31/10/525683110.db2.gz QAZMYQLHTCFWOG-CHWSQXEVSA-N 1 0 272.458 2.366 10 0 CEAERO Cc1cc2ncn(C[C@@H]3CC[C@H](C[NH3+])O3)c2cc1C ZINC000052575661 525684065 /nfs/dbraw/zinc/68/40/65/525684065.db2.gz GEEFYBSPVAVEHU-OLZOCXBDSA-N 1 0 259.353 2.159 10 0 CEAERO Cc1cc2ncnn2c(N2CCC[C@@H]2C[NH2+]C(C)C)c1 ZINC000053694289 525685665 /nfs/dbraw/zinc/68/56/65/525685665.db2.gz UUWLWUAUCFLXJT-CYBMUJFWSA-N 1 0 273.384 2.005 10 0 CEAERO COc1cccc(-c2nnc(C[NH+]3CCCC3)o2)c1 ZINC000062650684 525731854 /nfs/dbraw/zinc/73/18/54/525731854.db2.gz YPLXEFOOKRTDSB-UHFFFAOYSA-N 1 0 259.309 2.341 10 0 CEAERO Cc1ccc([C@@H](C[NH3+])Sc2n[nH]c(=O)n2C(C)C)s1 ZINC000061595137 525756181 /nfs/dbraw/zinc/75/61/81/525756181.db2.gz XWTRGDFGDIESGF-SNVBAGLBSA-N 1 0 298.437 2.314 10 0 CEAERO C[C@@](O)(c1ccccc1Br)[C@@H]1CCC[NH2+]1 ZINC000069842445 525781338 /nfs/dbraw/zinc/78/13/38/525781338.db2.gz GJIWRKZEQUYQRS-NWDGAFQWSA-N 1 0 270.170 2.409 10 0 CEAERO Cc1ccsc1[C@@H](CN)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757606 525871089 /nfs/dbraw/zinc/87/10/89/525871089.db2.gz ZUGYRBFUBUEXHP-CHWSQXEVSA-N 1 0 268.426 2.293 10 0 CEAERO C[C@@]1(c2ccc(S(C)(=O)=O)cc2)C[C@@H]1C[NH2+]C1CC1 ZINC000054596399 525891263 /nfs/dbraw/zinc/89/12/63/525891263.db2.gz VHYJQFALPGMVKL-DOMZBBRYSA-N 1 0 279.405 2.120 10 0 CEAERO C[C@@]1(c2ccccc2)CNCC[N@@H+]1CC1CCOCC1 ZINC000068696621 525903822 /nfs/dbraw/zinc/90/38/22/525903822.db2.gz QRCOVJCVSRZOPM-KRWDZBQOSA-N 1 0 274.408 2.234 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@@H](C)[C@@H](C)[NH3+])cc1F ZINC000157000983 525905059 /nfs/dbraw/zinc/90/50/59/525905059.db2.gz LUYOXOIZDBIRTP-AXFHLTTASA-N 1 0 252.333 2.295 10 0 CEAERO Cc1ccc([C@H]([C@H](C)[NH3+])N(CCO)Cc2ccccc2)o1 ZINC000050513894 525980747 /nfs/dbraw/zinc/98/07/47/525980747.db2.gz RJKZVAIBTGAKOT-YOEHRIQHSA-N 1 0 288.391 2.471 10 0 CEAERO Cc1ccc(C(N)=[NH2+])c(N(C)CCc2ccncc2)c1 ZINC000051579282 526011013 /nfs/dbraw/zinc/01/10/13/526011013.db2.gz ORPFXLLDEVPTEX-UHFFFAOYSA-N 1 0 268.364 2.353 10 0 CEAERO Cc1cc(-c2nc(CCC[NH3+])no2)c2ccccc2n1 ZINC000054138972 526051868 /nfs/dbraw/zinc/05/18/68/526051868.db2.gz DGHIAWMFXQNLEN-UHFFFAOYSA-N 1 0 268.320 2.485 10 0 CEAERO Cc1cc(-c2nnc(CN3[C@H](C)C[NH2+]C[C@H]3C)o2)c(C)o1 ZINC000069134360 526059491 /nfs/dbraw/zinc/05/94/91/526059491.db2.gz SHTJROGQUYTXAR-NXEZZACHSA-N 1 0 290.367 2.129 10 0 CEAERO Cc1ccc(C(=O)N2CC[C@H](C)[C@@H]([NH3+])C2)cc1Cl ZINC000070145449 526127005 /nfs/dbraw/zinc/12/70/05/526127005.db2.gz CANJZISMNVGHLU-GWCFXTLKSA-N 1 0 266.772 2.458 10 0 CEAERO COc1cccc(N(C)c2ccnc(C(N)=[NH2+])c2)c1 ZINC000061814330 526131399 /nfs/dbraw/zinc/13/13/99/526131399.db2.gz LAWCYYAKVMFCLS-UHFFFAOYSA-N 1 0 256.309 2.142 10 0 CEAERO Cc1ccc2c(c1)C(=O)N(C[C@@H]1CCC[C@H](C)[NH2+]1)C2=O ZINC000051574960 526140486 /nfs/dbraw/zinc/14/04/86/526140486.db2.gz WTIOHAZABJNUDT-RYUDHWBXSA-N 1 0 272.348 2.122 10 0 CEAERO C[C@@H](c1cnccn1)[NH+]1CCC(c2ccnn2C)CC1 ZINC000184495675 526156148 /nfs/dbraw/zinc/15/61/48/526156148.db2.gz AGLRURFVYLWHTE-LBPRGKRZSA-N 1 0 271.368 2.151 10 0 CEAERO COc1cccc(NC(=O)N[C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000063212577 526194503 /nfs/dbraw/zinc/19/45/03/526194503.db2.gz DUOZYWGWKUGPQC-ZIAGYGMSSA-N 1 0 277.368 2.477 10 0 CEAERO COc1cccc(OC[C@H]2CC[C@@H](C[NH2+]C3CC3)O2)c1 ZINC000052655269 526235887 /nfs/dbraw/zinc/23/58/87/526235887.db2.gz SZZIECHDBJBTBD-JKSUJKDBSA-N 1 0 277.364 2.374 10 0 CEAERO Cc1ccc(C)c(-n2nnnc2C[NH2+]CC(C)C)c1 ZINC000054744182 526258183 /nfs/dbraw/zinc/25/81/83/526258183.db2.gz AWXUIFNCJRKVOC-UHFFFAOYSA-N 1 0 259.357 2.025 10 0 CEAERO O=C(C1CCCCC1)N1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000051358324 526299044 /nfs/dbraw/zinc/29/90/44/526299044.db2.gz YEYRGJUFZDLVCR-ZIAGYGMSSA-N 1 0 250.386 2.310 10 0 CEAERO Fc1cc(F)cc(CC[NH2+][C@@H]2CN3CCC2CC3)c1 ZINC000060717764 526307419 /nfs/dbraw/zinc/30/74/19/526307419.db2.gz JTVDIZWLPWPOPZ-OAHLLOKOSA-N 1 0 266.335 2.191 10 0 CEAERO Fc1ccc(COC2C[NH2+]C2)cc1Br ZINC000062810001 526341828 /nfs/dbraw/zinc/34/18/28/526341828.db2.gz IBZNNHWEFJUVFV-UHFFFAOYSA-N 1 0 260.106 2.077 10 0 CEAERO Cc1csc(NC(=O)CC[C@@H]2CCCC[NH2+]2)n1 ZINC000050940494 526382158 /nfs/dbraw/zinc/38/21/58/526382158.db2.gz PUIAIEFMYRIJIW-JTQLQIEISA-N 1 0 253.371 2.312 10 0 CEAERO c1cc(C[NH2+]C2CC2)c(CN2CCO[C@@H]3CCC[C@@H]32)o1 ZINC000052540176 526427296 /nfs/dbraw/zinc/42/72/96/526427296.db2.gz UUTXUWDVRYCAQC-LSDHHAIUSA-N 1 0 276.380 2.285 10 0 CEAERO O=C(CC[NH2+]C1CC1)Nc1cc(F)cc(F)c1F ZINC000061118928 526510974 /nfs/dbraw/zinc/51/09/74/526510974.db2.gz DECXORALKMIQJT-UHFFFAOYSA-N 1 0 258.243 2.185 10 0 CEAERO Cc1nc(S[C@@H](CC(N)=[NH2+])c2ccccc2)n[nH]1 ZINC000055024336 526533073 /nfs/dbraw/zinc/53/30/73/526533073.db2.gz KGVWECAFUVAHNL-JTQLQIEISA-N 1 0 261.354 2.273 10 0 CEAERO Cc1nc(C)c([C@@H](C)NC(=O)C2(C)CC[NH2+]CC2)s1 ZINC000062841063 526741919 /nfs/dbraw/zinc/74/19/19/526741919.db2.gz NKMCWHSUCQVFAB-SNVBAGLBSA-N 1 0 281.425 2.327 10 0 CEAERO NC(=[NH2+])c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000052860390 526821195 /nfs/dbraw/zinc/82/11/95/526821195.db2.gz SBFPLHQOCRMUMS-QMMMGPOBSA-N 1 0 254.717 2.039 10 0 CEAERO NC(=[NH2+])c1ccc(N2CC[C@@H](c3ccccc3)C2)nc1 ZINC000050599456 526822871 /nfs/dbraw/zinc/82/28/71/526822871.db2.gz VDMUBXDPQMHROM-CQSZACIVSA-N 1 0 266.348 2.360 10 0 CEAERO [NH2+]=C(Nc1ccccc1)N[C@@H](CO)c1ccccc1 ZINC000063011942 526829066 /nfs/dbraw/zinc/82/90/66/526829066.db2.gz WXNQCAJKKIEONZ-AWEZNQCLSA-N 1 0 255.321 2.356 10 0 CEAERO NC(=O)C1([NH2+]C2CCCC2)C2CC3CC(C2)CC1C3 ZINC000055026563 526850503 /nfs/dbraw/zinc/85/05/03/526850503.db2.gz NGYKDYFJNRLOKJ-UHFFFAOYSA-N 1 0 262.397 2.199 10 0 CEAERO O=C(N[C@@H]1CCCC[NH2+]C1)c1cc2c(s1)CCCC2 ZINC000070120334 526884784 /nfs/dbraw/zinc/88/47/84/526884784.db2.gz UYTPKOAMFJSGRH-GFCCVEGCSA-N 1 0 278.421 2.499 10 0 CEAERO Cc1ncc(C[NH2+]C[C@@H](c2ccccc2)N(C)C)[nH]1 ZINC000054798178 526886821 /nfs/dbraw/zinc/88/68/21/526886821.db2.gz QLHJPXCVOKBEIL-HNNXBMFYSA-N 1 0 258.369 2.111 10 0 CEAERO Cc1sc2ncn(CC[NH2+]CC3CC3)c(=O)c2c1C ZINC000053530482 526899034 /nfs/dbraw/zinc/89/90/34/526899034.db2.gz JEBGUFANCTYUAE-UHFFFAOYSA-N 1 0 277.393 2.074 10 0 CEAERO O=C(N[C@@H]1CCCc2occc21)[C@@H]1CC12CC[NH2+]CC2 ZINC000070255308 526915029 /nfs/dbraw/zinc/91/50/29/526915029.db2.gz RJPIUZPOLWIIDZ-QWHCGFSZSA-N 1 0 274.364 2.163 10 0 CEAERO Cc1nc(N2CCCSCC2)sc1[C@H](C)[NH3+] ZINC000054898639 526964310 /nfs/dbraw/zinc/96/43/10/526964310.db2.gz UHKVQPVTEILQIU-QMMMGPOBSA-N 1 0 257.428 2.415 10 0 CEAERO Cc1nc(N2C[C@H](C)OC(C)(C)C2)sc1[C@@H](C)[NH3+] ZINC000054897631 526973387 /nfs/dbraw/zinc/97/33/87/526973387.db2.gz SZYCKBCFTTUKRY-DTWKUNHWSA-N 1 0 269.414 2.475 10 0 CEAERO O=C1CCC[C@H]1C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000053925634 526983988 /nfs/dbraw/zinc/98/39/88/526983988.db2.gz MBCAUYAFWFKHNK-ZDUSSCGKSA-N 1 0 276.355 2.317 10 0 CEAERO O=C(N[C@H]1CC[NH2+]C2(CCCCC2)C1)[C@@H]1CCCCO1 ZINC000050970794 527054916 /nfs/dbraw/zinc/05/49/16/527054916.db2.gz KFUVZSLZIGZZIC-KBPBESRZSA-N 1 0 280.412 2.127 10 0 CEAERO O=C1NCCC[C@H]1[NH2+][C@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000050395200 527066499 /nfs/dbraw/zinc/06/64/99/527066499.db2.gz RGGFSWLHOGAQGY-RFQIPJPRSA-N 1 0 250.386 2.214 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1ccc2c(c1)OCCCO2 ZINC000054290074 527119224 /nfs/dbraw/zinc/11/92/24/527119224.db2.gz QLGGSEQSILEEJN-LBPRGKRZSA-N 1 0 290.363 2.176 10 0 CEAERO O=C1c2cccc3cccc(c23)N1C[C@H]1CC[NH2+]C1 ZINC000051890336 527127210 /nfs/dbraw/zinc/12/72/10/527127210.db2.gz UIGMYXOHLINZBS-NSHDSACASA-N 1 0 252.317 2.410 10 0 CEAERO [NH3+]C1CCC(CCC(=O)N2C[C@H]3CC[C@@H]2C3)CC1 ZINC000055138918 527138775 /nfs/dbraw/zinc/13/87/75/527138775.db2.gz XTUHVFBZFGNDOQ-GNRIBBGQSA-N 1 0 250.386 2.295 10 0 CEAERO [NH3+]CCCN(C(=O)[C@@H]1CCCCO1)C1CCCCC1 ZINC000050958323 527176895 /nfs/dbraw/zinc/17/68/95/527176895.db2.gz ILRVJCOKWZSXBX-AWEZNQCLSA-N 1 0 268.401 2.066 10 0 CEAERO [NH3+]CCCc1noc(Cc2cccc(Cl)c2)n1 ZINC000054138945 527184119 /nfs/dbraw/zinc/18/41/19/527184119.db2.gz ZIQDASUMZWROFX-UHFFFAOYSA-N 1 0 251.717 2.205 10 0 CEAERO [NH3+]CCN1C(=O)S/C(=C/c2cc3ccccc3o2)C1=O ZINC000068811312 527185961 /nfs/dbraw/zinc/18/59/61/527185961.db2.gz GWSMULDMLYWDRY-XYOKQWHBSA-N 1 0 288.328 2.428 10 0 CEAERO [NH3+]CC[C@@H]1CCCN(c2ncccc2Br)C1 ZINC000069626260 527193544 /nfs/dbraw/zinc/19/35/44/527193544.db2.gz XFTMIUSXDCCGSM-JTQLQIEISA-N 1 0 284.201 2.409 10 0 CEAERO [NH3+]CCc1ccc(CNc2ncnc3c2CCC3)cc1 ZINC000061277721 527196885 /nfs/dbraw/zinc/19/68/85/527196885.db2.gz CAQORVOVLKHUMM-UHFFFAOYSA-N 1 0 268.364 2.079 10 0 CEAERO [NH3+]CCc1ccnc(-c2cc(F)c(F)c(F)c2)n1 ZINC000054833556 527197771 /nfs/dbraw/zinc/19/77/71/527197771.db2.gz LHDLCVWSJXJBQZ-UHFFFAOYSA-N 1 0 253.227 2.062 10 0 CEAERO [NH3+]CCc1cnc(Cc2ccc(Br)cc2)nc1 ZINC000054857510 527197844 /nfs/dbraw/zinc/19/78/44/527197844.db2.gz YRHCCZIARJVPBP-UHFFFAOYSA-N 1 0 292.180 2.331 10 0 CEAERO [NH3+]C[C@@H](C(=O)N(CC(F)(F)F)C1CC1)c1ccccc1 ZINC000061613008 527200899 /nfs/dbraw/zinc/20/08/99/527200899.db2.gz FYLYXMYWLNPBQQ-GFCCVEGCSA-N 1 0 286.297 2.282 10 0 CEAERO [NH3+]C[C@@H](c1nc(-c2ccccn2)no1)c1ccccc1 ZINC000061609347 527207994 /nfs/dbraw/zinc/20/79/94/527207994.db2.gz RFUQAMCNRGZZSW-GFCCVEGCSA-N 1 0 266.304 2.222 10 0 CEAERO [NH3+]C[C@@H]1CCCCC[C@@H]1N1CCN(CC(F)(F)F)CC1 ZINC000061940910 527208251 /nfs/dbraw/zinc/20/82/51/527208251.db2.gz FJCFJDZAUYDJFZ-STQMWFEESA-N 1 0 293.377 2.074 10 0 CEAERO Cc1nc2sccn2c1C[NH2+][C@@H](C)CN1CCCC1 ZINC000049150772 527211951 /nfs/dbraw/zinc/21/19/51/527211951.db2.gz JENNNDRAIMFMDH-NSHDSACASA-N 1 0 278.425 2.278 10 0 CEAERO [NH3+]C[C@@H]1CCN(CC(=O)c2cc(Cl)ccc2Cl)C1 ZINC000050250314 527217495 /nfs/dbraw/zinc/21/74/95/527217495.db2.gz WMCRGJBXADOLMU-VIFPVBQESA-N 1 0 287.190 2.457 10 0 CEAERO [NH3+]C[C@@]1(N2CCc3ccccc3C2)CCCSC1 ZINC000061589904 527222304 /nfs/dbraw/zinc/22/23/04/527222304.db2.gz ZLRLPYVYFRFWHE-HNNXBMFYSA-N 1 0 262.422 2.269 10 0 CEAERO [NH3+]C[C@H](C(=O)Nc1ccc(O)cc1)c1ccccc1 ZINC000061611780 527224104 /nfs/dbraw/zinc/22/41/04/527224104.db2.gz AIZFNRIGERXBHE-AWEZNQCLSA-N 1 0 256.305 2.073 10 0 CEAERO Cn1cc(C[C@@H](C[NH3+])Cc2ccc(Cl)cc2)cn1 ZINC000052947596 527229756 /nfs/dbraw/zinc/22/97/56/527229756.db2.gz YAPIQIJFQWFFJV-LBPRGKRZSA-N 1 0 263.772 2.434 10 0 CEAERO [NH3+]C[C@H]1CC[C@@H](COc2cccc3cccnc32)O1 ZINC000052693902 527239193 /nfs/dbraw/zinc/23/91/93/527239193.db2.gz HZGAFFUNWKGVFF-OLZOCXBDSA-N 1 0 258.321 2.120 10 0 CEAERO [NH3+]Cc1ccc(NC(=O)c2cn[nH]c2)c(C(F)(F)F)c1 ZINC000062775127 527256745 /nfs/dbraw/zinc/25/67/45/527256745.db2.gz QVGOVXGTKRRIIJ-UHFFFAOYSA-N 1 0 284.241 2.140 10 0 CEAERO [NH3+]Cc1cccc(CNc2ncnc3c2CCC3)c1 ZINC000061276318 527258999 /nfs/dbraw/zinc/25/89/99/527258999.db2.gz VHBGQQMSQYXCJM-UHFFFAOYSA-N 1 0 254.337 2.036 10 0 CEAERO [NH3+]Cc1cccc(NC(=O)CN2Cc3ccccc3C2)c1 ZINC000050910509 527259457 /nfs/dbraw/zinc/25/94/57/527259457.db2.gz MSDRGLYIWDRJLM-UHFFFAOYSA-N 1 0 281.359 2.100 10 0 CEAERO [NH3+]Cc1cnc(C2(c3ccccc3)CCOCC2)nc1 ZINC000062784133 527261394 /nfs/dbraw/zinc/26/13/94/527261394.db2.gz FCEJOIQUMQOBIB-UHFFFAOYSA-N 1 0 269.348 2.032 10 0 CEAERO [NH3+]Cc1ncccc1CSc1nnc2n1CCCCC2 ZINC000061657932 527267258 /nfs/dbraw/zinc/26/72/58/527267258.db2.gz IWPBBRSXQBNFFD-UHFFFAOYSA-N 1 0 289.408 2.151 10 0 CEAERO NNc1cc(C(=O)Nc2cnc3ccccc3c2)cc[nH+]1 ZINC000055142767 527274513 /nfs/dbraw/zinc/27/45/13/527274513.db2.gz LFSGACMPKGZVNE-UHFFFAOYSA-N 1 0 279.303 2.168 10 0 CEAERO NNc1ccc(COc2cccc(F)c2F)c[nH+]1 ZINC000062654049 527278881 /nfs/dbraw/zinc/27/88/81/527278881.db2.gz ZUQKBAXEBMMCDH-UHFFFAOYSA-N 1 0 251.236 2.224 10 0 CEAERO NNc1[nH+]c(-c2cccc3cccnc32)nc2c1CCC2 ZINC000069501952 527285197 /nfs/dbraw/zinc/28/51/97/527285197.db2.gz WGMUIWNNFVNVFT-UHFFFAOYSA-N 1 0 277.331 2.466 10 0 CEAERO [NH3+][C@@H](c1ccc(Cl)c(Cl)c1)[C@H]1COCCO1 ZINC000055299130 527339122 /nfs/dbraw/zinc/33/91/22/527339122.db2.gz GBANYBUJRQHRND-MNOVXSKESA-N 1 0 262.136 2.409 10 0 CEAERO [NH3+][C@@H]1CCCCCC[C@@H]1N1CCN(CC(F)(F)F)CC1 ZINC000061941144 527340003 /nfs/dbraw/zinc/34/00/03/527340003.db2.gz NMUVYCJTYZYCDG-OLZOCXBDSA-N 1 0 293.377 2.216 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@@H]1NC(=O)c1cccn1C1CC1 ZINC000063210880 527341822 /nfs/dbraw/zinc/34/18/22/527341822.db2.gz DTRWKTMQFPRNDK-OLZOCXBDSA-N 1 0 261.369 2.213 10 0 CEAERO [NH3+][C@H](Cc1ccc(O)cc1)c1nncn1-c1ccccc1 ZINC000054526788 527388268 /nfs/dbraw/zinc/38/82/68/527388268.db2.gz MEKJRUFGYGCYGO-OAHLLOKOSA-N 1 0 280.331 2.215 10 0 CEAERO [NH3+][C@H]1CC[C@H](c2nc(COc3ccccc3F)no2)C1 ZINC000262120638 527415360 /nfs/dbraw/zinc/41/53/60/527415360.db2.gz XHUDUZRBVISNAK-UWVGGRQHSA-N 1 0 277.299 2.383 10 0 CEAERO Cc1nccn1C[C@@H]1CC[C@H](C[NH2+]C(C)(C)C)O1 ZINC000052576196 527443469 /nfs/dbraw/zinc/44/34/69/527443469.db2.gz XUGAFPVISGMWQJ-OLZOCXBDSA-N 1 0 251.374 2.127 10 0 CEAERO Cc1ncsc1CCOc1ccc2c(c1)OC[C@H]2[NH3+] ZINC000062803616 527492263 /nfs/dbraw/zinc/49/22/63/527492263.db2.gz JHKSDCHINPESPY-GFCCVEGCSA-N 1 0 276.361 2.465 10 0 CEAERO Cc1ncsc1CCn1ccnc1C[NH2+]C(C)C ZINC000051005605 527493062 /nfs/dbraw/zinc/49/30/62/527493062.db2.gz HTGFNCONRFWECN-UHFFFAOYSA-N 1 0 264.398 2.389 10 0 CEAERO OCc1ccc(C[NH+]2CCC(Nc3cccnn3)CC2)cc1 ZINC000182749552 527631121 /nfs/dbraw/zinc/63/11/21/527631121.db2.gz AMQKGPVPKBMKDJ-UHFFFAOYSA-N 1 0 298.390 2.045 10 0 CEAERO O[C@@H](C[NH2+]C1CC1)c1cc(Br)cs1 ZINC000055029380 527651391 /nfs/dbraw/zinc/65/13/91/527651391.db2.gz VXGQNYPVCQWCMP-QMMMGPOBSA-N 1 0 262.172 2.296 10 0 CEAERO FC(F)(F)COCCN1CC[NH2+][C@@H](C2CCCCC2)C1 ZINC000068693897 527669727 /nfs/dbraw/zinc/66/97/27/527669727.db2.gz LJOPCUOKLNBAND-CYBMUJFWSA-N 1 0 294.361 2.419 10 0 CEAERO FC(F)(F)CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccncn2)C1 ZINC000054789531 527672234 /nfs/dbraw/zinc/67/22/34/527672234.db2.gz GOYVXJXBYDUSAB-ZYHUDNBSSA-N 1 0 289.301 2.456 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1nccn1C(F)F ZINC000175335997 529067961 /nfs/dbraw/zinc/06/79/61/529067961.db2.gz BFDGTJVHQUGETE-LLVKDONJSA-N 1 0 272.343 2.194 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)CCc2cccs2)C1 ZINC000174236268 529086874 /nfs/dbraw/zinc/08/68/74/529086874.db2.gz ICRWVUAQDIQIBU-ZDUSSCGKSA-N 1 0 295.452 2.416 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C(C)C)C2CC2)C1 ZINC000175953722 529087143 /nfs/dbraw/zinc/08/71/43/529087143.db2.gz CVUZMSFUQBGBBQ-LBPRGKRZSA-N 1 0 253.390 2.053 10 0 CEAERO CC[C@@H](O)CC[NH2+][C@H](C)c1c(C)nn(CC)c1C ZINC000132819754 529224563 /nfs/dbraw/zinc/22/45/63/529224563.db2.gz XUALYNBJEFGGTL-ZWNOBZJWSA-N 1 0 253.390 2.331 10 0 CEAERO CC[NH2+]CC1CCN(c2ncccc2C(=O)OCC)CC1 ZINC000130011725 535461127 /nfs/dbraw/zinc/46/11/27/535461127.db2.gz USKFHTBTLYKOEJ-UHFFFAOYSA-N 1 0 291.395 2.084 10 0 CEAERO CCOc1cccc(N2CCC(C[NH3+])(SC)CC2)n1 ZINC000091475000 535467260 /nfs/dbraw/zinc/46/72/60/535467260.db2.gz PFVJQHBFBSVVQK-UHFFFAOYSA-N 1 0 281.425 2.141 10 0 CEAERO CC[NH2+][C@H](C)[C@H]1CCCN(c2ccc(F)cn2)C1 ZINC000111716602 535515881 /nfs/dbraw/zinc/51/58/81/535515881.db2.gz LJRXQBUZNDOPIN-NEPJUHHUSA-N 1 0 251.349 2.435 10 0 CEAERO CCNc1cc[nH+]c(CN2C(=O)COc3ccccc32)c1 ZINC000092419550 535528015 /nfs/dbraw/zinc/52/80/15/535528015.db2.gz OJNQJAWGXOKHFH-UHFFFAOYSA-N 1 0 283.331 2.439 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(c2cccc(F)c2C(N)=S)CC1 ZINC000093407656 535566019 /nfs/dbraw/zinc/56/60/19/535566019.db2.gz BMJXWEGBKVEAHL-LLVKDONJSA-N 1 0 295.427 2.380 10 0 CEAERO CC[C@@H]1C[NH2+]CCN1c1ncc(Br)cc1C ZINC000086709036 535825181 /nfs/dbraw/zinc/82/51/81/535825181.db2.gz FVJGZJJPCOUFLI-LLVKDONJSA-N 1 0 284.201 2.341 10 0 CEAERO CC[C@](C[NH3+])(C1CC1)N1CCN(c2ccccc2)CC1 ZINC000086120024 535867222 /nfs/dbraw/zinc/86/72/22/535867222.db2.gz MYGDQQOHSYSUOS-KRWDZBQOSA-N 1 0 273.424 2.326 10 0 CEAERO CCc1cc(N2CC[NH2+]CC23CCCCC3)nc(C)n1 ZINC000088760672 536146250 /nfs/dbraw/zinc/14/62/50/536146250.db2.gz YKOFBXHXNOIZQM-UHFFFAOYSA-N 1 0 274.412 2.460 10 0 CEAERO CC[C@H]1CO[C@H](C)CN1c1cncc(C[NH2+]C(C)(C)C)n1 ZINC000091420722 536171448 /nfs/dbraw/zinc/17/14/48/536171448.db2.gz TYQNVQJJWSCUMT-OCCSQVGLSA-N 1 0 292.427 2.368 10 0 CEAERO CC[C@H]1C[C@@](C[NH3+])(N2CCN(C)c3ccccc32)CCO1 ZINC000070366674 536172267 /nfs/dbraw/zinc/17/22/67/536172267.db2.gz KUPFYVVCVAQZEO-YOEHRIQHSA-N 1 0 289.423 2.229 10 0 CEAERO C[NH2+][C@@H](C[C@@H]1CCCO1)c1ccc2c(c1)CCC(=O)N2C ZINC000087215160 536354756 /nfs/dbraw/zinc/35/47/56/536354756.db2.gz OFVHLLQPQZQTLR-GJZGRUSLSA-N 1 0 288.391 2.425 10 0 CEAERO C[NH2+][C@@H]1CCCN(c2ccc(C)cc2Br)C1=O ZINC000071037995 536365862 /nfs/dbraw/zinc/36/58/62/536365862.db2.gz QKPKUYZJUPOTFT-LLVKDONJSA-N 1 0 297.196 2.472 10 0 CEAERO C[NH2+][C@H](C)c1ccccc1N1CCC(CC(N)=O)CC1 ZINC000042429293 536406640 /nfs/dbraw/zinc/40/66/40/536406640.db2.gz MFIWEGJFWVJQHV-GFCCVEGCSA-N 1 0 275.396 2.059 10 0 CEAERO COC(=O)[C@@H](C)[C@H](C)[NH+]1CCN(c2ccccc2F)CC1 ZINC000093036505 536443677 /nfs/dbraw/zinc/44/36/77/536443677.db2.gz LWWNYUDTCFLEHP-STQMWFEESA-N 1 0 294.370 2.145 10 0 CEAERO COc1ncnc(N2CCC[C@H](C[NH2+]C(C)C)C2)c1C ZINC000090788779 536904957 /nfs/dbraw/zinc/90/49/57/536904957.db2.gz JGNMRGLNUWPFKY-CYBMUJFWSA-N 1 0 278.400 2.008 10 0 CEAERO CC(C)C1CCN(C(=O)C2CCC([NH3+])CC2)CC1 ZINC000225529855 538876021 /nfs/dbraw/zinc/87/60/21/538876021.db2.gz DUJTWRANLQUERF-UHFFFAOYSA-N 1 0 252.402 2.399 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@H](C[NH3+])C[C@H]1[C@@H]1CCCO1 ZINC000725268808 567924383 /nfs/dbraw/zinc/92/43/83/567924383.db2.gz BQWPNCKIFCTHKP-AVGNSLFASA-N 1 0 284.400 2.140 10 0 CEAERO COc1ccccc1[C@@H]1C[NH2+]C[C@@H]1C(=O)OC(C)(C)C ZINC000757185536 574511683 /nfs/dbraw/zinc/51/16/83/574511683.db2.gz WYPIQFDRXNRLTF-STQMWFEESA-N 1 0 277.364 2.340 10 0 CEAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(Cl)nc1 ZINC000757192268 574512096 /nfs/dbraw/zinc/51/20/96/574512096.db2.gz WQGRYGCGIMYZBL-QWRGUYRKSA-N 1 0 282.771 2.380 10 0 CEAERO [NH3+]C[C@H]1CCN1Cc1ccc(Br)c(F)c1 ZINC000757145498 574510368 /nfs/dbraw/zinc/51/03/68/574510368.db2.gz MRPJWHVGONOQQP-SECBINFHSA-N 1 0 273.149 2.121 10 0 CEAERO CCOC(=O)C1=C(O)CCC[N@H+](Cc2ccccc2)CC1 ZINC000299805263 570330255 /nfs/dbraw/zinc/33/02/55/570330255.db2.gz GLLKNHGGZDESFR-OAHLLOKOSA-N 1 0 289.375 2.421 10 0 CEAERO C[C@@H]1CN(C(=O)Cc2ccc(Cl)c(Cl)c2)C[C@@H]1[NH3+] ZINC000235335411 625321907 /nfs/dbraw/zinc/32/19/07/625321907.db2.gz UMYDYRSSYLCKHO-PELKAZGASA-N 1 0 287.190 2.342 10 0 CEAERO C/C=C\c1ccc(OCCCN2CC[NH2+]CC2)c(OC)c1 ZINC000096544702 625558180 /nfs/dbraw/zinc/55/81/80/625558180.db2.gz NWOJCSCWFTURCX-HYXAFXHYSA-N 1 0 290.407 2.402 10 0 CEAERO C[C@H]([NH3+])[C@@H]1CCCN(c2ccc(Br)cn2)C1 ZINC000069725690 622683195 /nfs/dbraw/zinc/68/31/95/622683195.db2.gz YOUMKCQRILZOQM-VHSXEESVSA-N 1 0 284.201 2.408 10 0 CEAERO CCn1c(C)nn(CN(C)C[C@H]2CCC[N@@H+]2CC)c1=S ZINC000177160755 625620344 /nfs/dbraw/zinc/62/03/44/625620344.db2.gz IQIAHWBZIBXBLR-CYBMUJFWSA-N 1 0 297.472 2.116 10 0 CEAERO CCOC(=O)c1cccnc1N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000050163813 623328821 /nfs/dbraw/zinc/32/88/21/623328821.db2.gz WBSXTPBWSOQWCB-NWDGAFQWSA-N 1 0 277.368 2.058 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1sccc1Br ZINC000261529389 623338275 /nfs/dbraw/zinc/33/82/75/623338275.db2.gz AQZHJHJDOWQEAC-HTRCEHHLSA-N 1 0 289.198 2.072 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCCOC(C)(C)C ZINC000674907895 623350665 /nfs/dbraw/zinc/35/06/65/623350665.db2.gz GGAPCNHNOKKGML-KGLIPLIRSA-N 1 0 254.418 2.360 10 0 CEAERO COc1ccc(CN2CC[C@@H]([NH3+])[C@@H]2C)cc1Br ZINC000261547628 623368754 /nfs/dbraw/zinc/36/87/54/623368754.db2.gz IHKGHTSCDOSBCH-JOYOIKCWSA-N 1 0 299.212 2.379 10 0 CEAERO Cc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)cc1Br ZINC000261565074 623379889 /nfs/dbraw/zinc/37/98/89/623379889.db2.gz YEKMFMRWSLPIEY-BXKDBHETSA-N 1 0 297.196 2.319 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCC(=O)NC1=O)c1ccc(C(C)(C)C)cc1 ZINC000089753233 623468453 /nfs/dbraw/zinc/46/84/53/623468453.db2.gz RGBMPTXTJMALGZ-SMDDNHRTSA-N 1 0 288.391 2.440 10 0 CEAERO C[C@@H](Nc1cnc2ccccc2n1)[C@H]1CCC[NH2+]C1 ZINC000052017894 624731660 /nfs/dbraw/zinc/73/16/60/624731660.db2.gz VUOHYIFHGUMNIL-NEPJUHHUSA-N 1 0 256.353 2.430 10 0 CEAERO C/C=C(/C)C[NH2+][C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 ZINC000096753205 627293528 /nfs/dbraw/zinc/29/35/28/627293528.db2.gz NPMZJGFYKFBDLC-GLDPUFHNSA-N 1 0 276.355 2.482 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)c1cc(Oc2ccccc2)ccn1 ZINC000261699181 627372424 /nfs/dbraw/zinc/37/24/24/627372424.db2.gz IYXIFNUZJIDZPI-LBPRGKRZSA-N 1 0 285.347 2.212 10 0 CEAERO C[NH2+]CCc1noc([C@H]2CCCc3sccc32)n1 ZINC000168464141 627682697 /nfs/dbraw/zinc/68/26/97/627682697.db2.gz JVTQTTBTWMOABW-JTQLQIEISA-N 1 0 263.366 2.361 10 0 CEAERO CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)/C=C\c1ccccc1 ZINC000312148013 628139807 /nfs/dbraw/zinc/13/98/07/628139807.db2.gz DTZYNIXGPHNPTG-FJVVXJACSA-N 1 0 296.436 2.340 10 0 CEAERO CCOc1ccc(-c2cnn(CC[NH3+])c2)cc1OCC ZINC000312427755 628262883 /nfs/dbraw/zinc/26/28/83/628262883.db2.gz HXMZSCUMWGDKFQ-UHFFFAOYSA-N 1 0 275.352 2.306 10 0 CEAERO C[NH2+]C1(C(=O)N[C@@H](C)c2cc(C)ccc2OC)CCC1 ZINC000312505966 628286998 /nfs/dbraw/zinc/28/69/98/628286998.db2.gz FTYHYKOWACSPTE-LBPRGKRZSA-N 1 0 276.380 2.323 10 0 CEAERO CCOC1CC(CC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2CC)C1 ZINC000191928617 628368593 /nfs/dbraw/zinc/36/85/93/628368593.db2.gz JOKNPBFRQZKPAS-LVDPKSTMSA-N 1 0 294.439 2.277 10 0 CEAERO CCc1ccc([C@H](C)NC(=S)NCC[NH+](C)C)cc1 ZINC000047808669 628650520 /nfs/dbraw/zinc/65/05/20/628650520.db2.gz XVQWUDSRUKMRNS-LBPRGKRZSA-N 1 0 279.453 2.336 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cc(CC(C)(C)C)nn1C ZINC000236896883 628740822 /nfs/dbraw/zinc/74/08/22/628740822.db2.gz GOYSSXAUBBDYQD-GXFFZTMASA-N 1 0 280.416 2.321 10 0 CEAERO CC(C)[C@@H]([NH2+]C1CCN(CCO)CC1)c1ccccc1 ZINC000399018595 628768926 /nfs/dbraw/zinc/76/89/26/628768926.db2.gz GOWKFNGJQGLGHR-QGZVFWFLSA-N 1 0 276.424 2.430 10 0 CEAERO Cc1cc([C@@H](C)[NH2+]C2CCN(CCO)CC2)c(C)o1 ZINC000399143325 628779360 /nfs/dbraw/zinc/77/93/60/628779360.db2.gz VSZZUWZIPYVQOA-GFCCVEGCSA-N 1 0 266.385 2.004 10 0 CEAERO [NH3+][C@@H]1CC[C@H](CNc2nnc(C(F)(F)F)s2)C1 ZINC000227651184 628918443 /nfs/dbraw/zinc/91/84/43/628918443.db2.gz ADLHMJIMJRMMFD-NTSWFWBYSA-N 1 0 266.292 2.096 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1Cc1sccc1Br ZINC000261527362 628921834 /nfs/dbraw/zinc/92/18/34/628921834.db2.gz ABEALTSJERKJLH-APPZFPTMSA-N 1 0 275.215 2.432 10 0 CEAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccc(F)c(N)c1 ZINC000094446613 628924433 /nfs/dbraw/zinc/92/44/33/628924433.db2.gz FTRNTQKETJDMBU-WCQYABFASA-N 1 0 291.370 2.107 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1Cc1ccc(Br)s1 ZINC000261530206 628934784 /nfs/dbraw/zinc/93/47/84/628934784.db2.gz YCOPTNAZQSFSJG-VXNVDRBHSA-N 1 0 275.215 2.432 10 0 CEAERO Cc1ccnc(N2C[C@@H](C[NH3+])C[C@H]2C)c1Br ZINC000261533381 628936051 /nfs/dbraw/zinc/93/60/51/628936051.db2.gz HQACTOKQJJDKCA-NXEZZACHSA-N 1 0 284.201 2.326 10 0 CEAERO Cc1cc(Cl)cc(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)c1 ZINC000261556407 628937759 /nfs/dbraw/zinc/93/77/59/628937759.db2.gz QOICIFDHODNQKN-JOYOIKCWSA-N 1 0 252.745 2.210 10 0 CEAERO O=C(CC[C@H]1CCC[NH2+]1)N(CC1CC1)CC1CC1 ZINC000261557942 628937915 /nfs/dbraw/zinc/93/79/15/628937915.db2.gz CWPJOMUKOHBGQT-CQSZACIVSA-N 1 0 250.386 2.167 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)C1C2CC3CC(C2)CC1C3 ZINC000261584981 628942223 /nfs/dbraw/zinc/94/22/23/628942223.db2.gz IBJSUUNSXSUJQC-QQMYWVELSA-N 1 0 262.397 2.007 10 0 CEAERO Cn1cc([C@@H]2CCC[N@@H+]2Cc2cccc(N)c2)cn1 ZINC000261583211 628942234 /nfs/dbraw/zinc/94/22/34/628942234.db2.gz HCASDRHOLALOTA-HNNXBMFYSA-N 1 0 256.353 2.339 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1Cc1coc(-c2ccccc2)n1 ZINC000261600723 628944212 /nfs/dbraw/zinc/94/42/12/628944212.db2.gz PXNPQLJVLMEMMH-SMDDNHRTSA-N 1 0 257.337 2.263 10 0 CEAERO CCOc1ccccc1C[N@@H+]1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000094996697 628945939 /nfs/dbraw/zinc/94/59/39/628945939.db2.gz TZNTTZATEGXSJW-GXTWGEPZSA-N 1 0 277.364 2.326 10 0 CEAERO C[C@@H]1CCCN(c2nccc(C(C)(C)C)n2)[C@@H]1C[NH3+] ZINC000261613727 628948278 /nfs/dbraw/zinc/94/82/78/628948278.db2.gz SYGODZGZDHUXRD-VXGBXAGGSA-N 1 0 262.401 2.338 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)CCOc1cc(C)cc(C)c1C ZINC000261618898 628949794 /nfs/dbraw/zinc/94/97/94/628949794.db2.gz BEEOQGXKENJSIO-ZDUSSCGKSA-N 1 0 278.396 2.105 10 0 CEAERO CCOc1c(F)cccc1C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000237024440 629153014 /nfs/dbraw/zinc/15/30/14/629153014.db2.gz IFSBSBGQGIVENK-MFKMUULPSA-N 1 0 280.343 2.082 10 0 CEAERO [NH3+][C@H](CC1CCCCC1)C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000261768341 629188607 /nfs/dbraw/zinc/18/86/07/629188607.db2.gz VRDXZOJSKKDRPH-PMPSAXMXSA-N 1 0 294.439 2.454 10 0 CEAERO CC(=O)[C@H]1CCC[N@H+](CC[C@@H](O)c2ccccc2)C1 ZINC000311395469 629303931 /nfs/dbraw/zinc/30/39/31/629303931.db2.gz ZKVOXDVIZGOWBQ-JKSUJKDBSA-N 1 0 261.365 2.411 10 0 CEAERO C[NH+](C)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000048666247 629427387 /nfs/dbraw/zinc/42/73/87/629427387.db2.gz XAPVFPZSVWZECA-RAXLEYEMSA-N 1 0 294.420 2.013 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1Nc1ccc(OC(F)F)cn1 ZINC000262247434 630372509 /nfs/dbraw/zinc/37/25/09/630372509.db2.gz PSSNUVKLAHMAAE-WPRPVWTQSA-N 1 0 257.284 2.222 10 0 CEAERO COC[C@@H]([NH3+])C(=O)Nc1ccc(SC(C)(C)C)cc1 ZINC000262399461 630782205 /nfs/dbraw/zinc/78/22/05/630782205.db2.gz ZNDZXSIKRMIBPP-GFCCVEGCSA-N 1 0 282.409 2.489 10 0 CEAERO COc1ccc(C(=O)OC(C)(C)C)c2c1CC[NH2+]CC2 ZINC000757132454 631822570 /nfs/dbraw/zinc/82/25/70/631822570.db2.gz SLXSGFXVFIGEET-UHFFFAOYSA-N 1 0 277.364 2.339 10 0 CEAERO CCOC(=O)C1(c2ccc(OC(F)F)cc2)CC([NH3+])C1 ZINC000757178555 631829055 /nfs/dbraw/zinc/82/90/55/631829055.db2.gz ZNQKHNPZVPAMBF-UHFFFAOYSA-N 1 0 285.290 2.210 10 0 CEAERO COc1ccc([C@H]2C[NH2+]C[C@H]2C(=O)OC(C)(C)C)cc1F ZINC000757183036 631830150 /nfs/dbraw/zinc/83/01/50/631830150.db2.gz DEMGWNCMSFILOM-VXGBXAGGSA-N 1 0 295.354 2.479 10 0 CEAERO CCN(c1ncnc2c(C)csc21)[C@H]1CC[NH2+]C1 ZINC000222335841 639373141 /nfs/dbraw/zinc/37/31/41/639373141.db2.gz ZMUARBAYJVAWGR-JTQLQIEISA-N 1 0 262.382 2.188 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cn1ncc(Cl)c1C ZINC000156747403 639387250 /nfs/dbraw/zinc/38/72/50/639387250.db2.gz OIHYWZBMARDNKS-LBPRGKRZSA-N 1 0 270.808 2.219 10 0 CEAERO CCn1nc(C[NH2+]C2CC(OC)C2)c2ccccc21 ZINC000225383037 639492183 /nfs/dbraw/zinc/49/21/83/639492183.db2.gz XCLHJMJHHBJSSX-UHFFFAOYSA-N 1 0 259.353 2.323 10 0 CEAERO CO[C@@H](c1noc(CCCCCC[NH3+])n1)C1CC1 ZINC000227330081 639583672 /nfs/dbraw/zinc/58/36/72/639583672.db2.gz CYDZSXASIXFHFH-GFCCVEGCSA-N 1 0 253.346 2.229 10 0 CEAERO CO[C@H](c1noc(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1)C1CC1 ZINC000227329794 639584088 /nfs/dbraw/zinc/58/40/88/639584088.db2.gz JVRKSEOGJNZNPR-ODQCVHFNSA-N 1 0 277.368 2.240 10 0 CEAERO [NH3+][C@@H]1CC[C@H](CNc2ccncc2Br)C1 ZINC000227650182 639599571 /nfs/dbraw/zinc/59/95/71/639599571.db2.gz FEPKBYDDUOSENY-DTWKUNHWSA-N 1 0 270.174 2.383 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=S)NC2CCCCC2)C1 ZINC000060432111 639615453 /nfs/dbraw/zinc/61/54/53/639615453.db2.gz GHIYAUJBFSWPDD-ZDUSSCGKSA-N 1 0 269.458 2.268 10 0 CEAERO CCc1ccc(CN(C)C(=O)[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000104211407 639708866 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ZINC000173703798 639874310 /nfs/dbraw/zinc/87/43/10/639874310.db2.gz KNEYUCDJAAZKPP-UHFFFAOYSA-N 1 0 294.443 2.420 10 0 CEAERO Cc1cnc([C@@H](C)NC(=O)[C@H]([NH3+])c2ccc(C)cc2)o1 ZINC000231743457 639875533 /nfs/dbraw/zinc/87/55/33/639875533.db2.gz OFWUGHCMGMAVRX-DGCLKSJQSA-N 1 0 273.336 2.169 10 0 CEAERO [NH3+]C[C@@H]1C[N@H+](CCCCCCO)C[C@H]1c1ccccc1 ZINC000328318882 640777512 /nfs/dbraw/zinc/77/75/12/640777512.db2.gz DJOZMZMLXVKWJQ-SJORKVTESA-N 1 0 276.424 2.213 10 0 CEAERO CCOCC[N@@H+]1CCN(C/C=C/Cl)C[C@H]1CC ZINC000105915052 640974343 /nfs/dbraw/zinc/97/43/43/640974343.db2.gz QNHKQSIBWQIHLH-URWSZGRFSA-N 1 0 260.809 2.172 10 0 CEAERO [NH3+]C1CCC(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000237805042 641385157 /nfs/dbraw/zinc/38/51/57/641385157.db2.gz UUEAWZIPADLDIS-TYUFSLCMSA-N 1 0 294.345 2.454 10 0 CEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(Cc1ccccc1)OC ZINC000184246432 641846655 /nfs/dbraw/zinc/84/66/55/641846655.db2.gz MOJDHQQWVVCYHB-AWEZNQCLSA-N 1 0 293.411 2.490 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]C[C@H]2CCOC2)C1 ZINC000083799229 642273807 /nfs/dbraw/zinc/27/38/07/642273807.db2.gz CCUUGJUXHGRIRH-ZIAGYGMSSA-N 1 0 298.427 2.260 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000111266724 643755721 /nfs/dbraw/zinc/75/57/21/643755721.db2.gz KCUVLKDFBPUNAC-LMLFDSFASA-N 1 0 278.318 2.079 10 0 CEAERO C[NH+](C)C[C@H]1CCN(C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000113514400 644415391 /nfs/dbraw/zinc/41/53/91/644415391.db2.gz SAWGRKFEEUSCHZ-DOMZBBRYSA-N 1 0 282.815 2.257 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC1(Cl)Cl ZINC000119461398 646726161 /nfs/dbraw/zinc/72/61/61/646726161.db2.gz QVPOWVCFPATHPM-GHMZBOCLSA-N 1 0 293.238 2.417 10 0 CEAERO COc1cc(C)ccc1-c1noc([C@H]2CCC[NH2+]2)n1 ZINC000211873812 651887831 /nfs/dbraw/zinc/88/78/31/651887831.db2.gz BIJHURJWVSHWRV-LLVKDONJSA-N 1 0 259.309 2.478 10 0 CEAERO C[N@@H+]1CCC[C@H]2CN(C(=O)N3CCCCC3)CC[C@@H]21 ZINC000129561138 652027772 /nfs/dbraw/zinc/02/77/72/652027772.db2.gz LEYIEPRNFNQOQD-KBPBESRZSA-N 1 0 265.401 2.008 10 0 CEAERO COc1ccc(-c2noc([C@@H]3CC[NH2+]C3)n2)cc1C ZINC000129821374 652179245 /nfs/dbraw/zinc/17/92/45/652179245.db2.gz SCUOBOIWTVOXEK-LLVKDONJSA-N 1 0 259.309 2.131 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1ccc(F)c(Cl)c1 ZINC000212935286 652217040 /nfs/dbraw/zinc/21/70/40/652217040.db2.gz UWJREFGAXPFDDI-BXKDBHETSA-N 1 0 270.735 2.336 10 0 CEAERO Cc1cc(Br)cnc1N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000132511007 652527242 /nfs/dbraw/zinc/52/72/42/652527242.db2.gz UFIJPVFPIAQGTH-NEPJUHHUSA-N 1 0 296.212 2.483 10 0 CEAERO O=C(NC[C@@H]1CC[NH2+]C1)Nc1ccc(Cl)cc1 ZINC000133711677 652706662 /nfs/dbraw/zinc/70/66/62/652706662.db2.gz YXXAMQGOQZQIAD-SECBINFHSA-N 1 0 253.733 2.071 10 0 CEAERO CC(C)(C)OC(=O)NC[C@@H]1CC[NH2+][C@@H](C2CC2)C1 ZINC000215666333 652902232 /nfs/dbraw/zinc/90/22/32/652902232.db2.gz UVKDTAFGVZJXHH-ZYHUDNBSSA-N 1 0 254.374 2.289 10 0 CEAERO CC[C@@H](O)CC[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000135041176 652915780 /nfs/dbraw/zinc/91/57/80/652915780.db2.gz ABMWXLSKUSGKJZ-OLZOCXBDSA-N 1 0 291.313 2.489 10 0 CEAERO CCCCNC(=S)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000135584742 652973684 /nfs/dbraw/zinc/97/36/84/652973684.db2.gz URNLTXQXOYKVFU-GFCCVEGCSA-N 1 0 257.447 2.077 10 0 CEAERO C[NH2+][C@H](C[S@](=O)c1ccc(Cl)cc1)C1CC1 ZINC000082000350 177917389 /nfs/dbraw/zinc/91/73/89/177917389.db2.gz MYNYTSVEEOQVNN-MLGOLLRUSA-N 1 0 257.786 2.446 10 0 CEAERO CC[C@@](C)(C[NH3+])c1cc(OC)c(OC)c(OC)c1 ZINC000082295736 177950339 /nfs/dbraw/zinc/95/03/39/177950339.db2.gz ANCVYUXBTWADKC-AWEZNQCLSA-N 1 0 253.342 2.339 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1cnccn1)C(F)(F)F ZINC000082433242 178010898 /nfs/dbraw/zinc/01/08/98/178010898.db2.gz GGWCNYPHMGEXQO-XPUUQOCRSA-N 1 0 251.277 2.237 10 0 CEAERO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc3ccccc3n2)C[C@@H]1C ZINC000124589944 187144861 /nfs/dbraw/zinc/14/48/61/187144861.db2.gz RUSZORCPGVCUEN-LSDHHAIUSA-N 1 0 299.418 2.122 10 0 CEAERO O[C@@H]1C[NH2+]C[C@@H]1Oc1cc(Cl)c(Cl)cc1Cl ZINC000082524921 178088533 /nfs/dbraw/zinc/08/85/33/178088533.db2.gz YCSVREFSMHOVDZ-SCZZXKLOSA-N 1 0 282.554 2.358 10 0 CEAERO NNc1ccc(Cl)c(CSc2ccncn2)[nH+]1 ZINC000082536264 178088981 /nfs/dbraw/zinc/08/89/81/178088981.db2.gz GAMFXULNLAXNHI-UHFFFAOYSA-N 1 0 267.745 2.103 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccccc1Br ZINC000082558834 178095194 /nfs/dbraw/zinc/09/51/94/178095194.db2.gz SRBUMYNMWULBPM-RKDXNWHRSA-N 1 0 283.169 2.243 10 0 CEAERO [NH3+][C@@H](Cn1cc(Br)cn1)c1ccccc1 ZINC000082582957 178119766 /nfs/dbraw/zinc/11/97/66/178119766.db2.gz FKTSWKZDDXZOAX-NSHDSACASA-N 1 0 266.142 2.346 10 0 CEAERO C[C@H]1C[C@@H]1CN(C)Cc1[nH+]c(NN)ccc1Cl ZINC000082650043 178141618 /nfs/dbraw/zinc/14/16/18/178141618.db2.gz JBENRDNEFCKQCR-DTWKUNHWSA-N 1 0 254.765 2.108 10 0 CEAERO C[C@@H]1C[C@H]1CN(C)c1ncc(Br)cc1C[NH3+] ZINC000082650287 178141667 /nfs/dbraw/zinc/14/16/67/178141667.db2.gz OZFYHFJXKLJYGA-SCZZXKLOSA-N 1 0 284.201 2.395 10 0 CEAERO C[C@@H](Nc1ncc(Br)cn1)[C@@H]1CCC[NH2+]C1 ZINC000082662364 178150981 /nfs/dbraw/zinc/15/09/81/178150981.db2.gz OLAOZZOFWPHBNW-RKDXNWHRSA-N 1 0 285.189 2.039 10 0 CEAERO CC(C)[NH2+]CCCOc1ncc(Br)cn1 ZINC000082662713 178151415 /nfs/dbraw/zinc/15/14/15/178151415.db2.gz FFEIEIWWFJLXRR-UHFFFAOYSA-N 1 0 274.162 2.006 10 0 CEAERO COCC[NH2+]Cc1cnn(-c2ccc(C)cc2)c1C ZINC000082667221 178155651 /nfs/dbraw/zinc/15/56/51/178155651.db2.gz FNLBAZDWHPNRNJ-UHFFFAOYSA-N 1 0 259.353 2.225 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1[S@](=O)c1ccccc1Br ZINC000082748618 178269630 /nfs/dbraw/zinc/26/96/30/178269630.db2.gz MJCVNKZLNYHHLU-ZSGNIPIJSA-N 1 0 288.210 2.437 10 0 CEAERO O=C(N[C@@H]1CCC12CCCC2)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000336540817 365619725 /nfs/dbraw/zinc/61/97/25/365619725.db2.gz BWASUKNXFSMWEZ-HUUCEWRRSA-N 1 0 289.423 2.365 10 0 CEAERO COCC[N@@H+]1CC[C@@]12CCN(Cc1cccc(F)c1)C2 ZINC000096075931 185090344 /nfs/dbraw/zinc/09/03/44/185090344.db2.gz QUTMSNZMTUHRMK-MRXNPFEDSA-N 1 0 278.371 2.122 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1S(=O)(=O)c1cccs1 ZINC000082790079 178294687 /nfs/dbraw/zinc/29/46/87/178294687.db2.gz ZZRVSPQXHLGCJW-VHSXEESVSA-N 1 0 259.396 2.039 10 0 CEAERO C[C@]([NH3+])(CO)CCCSc1ccc(Cl)cn1 ZINC000082905443 178329365 /nfs/dbraw/zinc/32/93/65/178329365.db2.gz NXBDWTIGGJFCCD-LLVKDONJSA-N 1 0 260.790 2.317 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1c1nc2cc(Br)cnc2[nH]1 ZINC000082918570 178330127 /nfs/dbraw/zinc/33/01/27/178330127.db2.gz MXFIPQFBJBBAGW-SFYZADRCSA-N 1 0 281.157 2.315 10 0 CEAERO COc1cccc(C[N@H+]2CCC[C@]3(C[C@H](OC)CO3)C2)c1 ZINC000096107428 185100156 /nfs/dbraw/zinc/10/01/56/185100156.db2.gz QXRDKWZSBDPMSJ-IRXDYDNUSA-N 1 0 291.391 2.465 10 0 CEAERO [NH3+]CCSCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000096756274 185111467 /nfs/dbraw/zinc/11/14/67/185111467.db2.gz UFGKTLQKPIDEOA-UHFFFAOYSA-N 1 0 292.448 2.160 10 0 CEAERO CCCCOc1ccc(NC(=O)CSCC[NH3+])cc1 ZINC000096751712 185111536 /nfs/dbraw/zinc/11/15/36/185111536.db2.gz ZOXDTVTVHHKUFS-UHFFFAOYSA-N 1 0 282.409 2.496 10 0 CEAERO C[NH+](C)C[C@H]1CN(C(=O)CC2CCC(C)(C)CC2)CCO1 ZINC000152085702 282136904 /nfs/dbraw/zinc/13/69/04/282136904.db2.gz OVPRNPFAXFJRFX-HNNXBMFYSA-N 1 0 296.455 2.382 10 0 CEAERO CCNC(=O)C[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000036780300 361856381 /nfs/dbraw/zinc/85/63/81/361856381.db2.gz IWAZQQKMAONJIQ-MRVPVSSYSA-N 1 0 258.724 2.266 10 0 CEAERO CC(C)(C)OC(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000096958542 185142050 /nfs/dbraw/zinc/14/20/50/185142050.db2.gz LGXLMDDEBCEULE-RYUDHWBXSA-N 1 0 254.374 2.386 10 0 CEAERO C[NH2+]CC(=O)N1CC[C@H](C)C[C@@H]1c1ccc(C)o1 ZINC000193131514 290638824 /nfs/dbraw/zinc/63/88/24/290638824.db2.gz FAEFDKCDWJBIKT-CMPLNLGQSA-N 1 0 250.342 2.107 10 0 CEAERO Cc1nccnc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000621726101 349680649 /nfs/dbraw/zinc/68/06/49/349680649.db2.gz JYQVZAZDDNECIZ-BMFZPTHFSA-N 1 0 275.396 2.301 10 0 CEAERO OCCN(Cc1ccccc1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000725241644 539190217 /nfs/dbraw/zinc/19/02/17/539190217.db2.gz KOQAZGJRBWABER-DLBZAZTESA-N 1 0 274.408 2.108 10 0 CEAERO CC[C@@H](NC(=O)OC(C)(C)C)[C@@]1(C)[NH2+]CCc2nc[nH]c21 ZINC000725242794 539190584 /nfs/dbraw/zinc/19/05/84/539190584.db2.gz UCPQVBVANLEKNA-IAQYHMDHSA-N 1 0 294.399 2.074 10 0 CEAERO CCCCNC(=O)NC[C@@]1([NH3+])C[C@H](C)C[C@H](C)C1 ZINC000725254950 539200731 /nfs/dbraw/zinc/20/07/31/539200731.db2.gz LBQQFMDOVXGCQW-DABQJJPHSA-N 1 0 255.406 2.239 10 0 CEAERO C[C@H](c1cnn(CC2CCC2)c1)[N@@H+](C)C[C@H](C)O ZINC000725264115 539212627 /nfs/dbraw/zinc/21/26/27/539212627.db2.gz DBFUTZLCJMNTJC-NWDGAFQWSA-N 1 0 251.374 2.057 10 0 CEAERO C[C@@H](c1cnn(CC2CCC2)c1)[NH+]1CCC(O)CC1 ZINC000725264340 539212772 /nfs/dbraw/zinc/21/27/72/539212772.db2.gz HWFWHMKFNPXXJQ-LBPRGKRZSA-N 1 0 263.385 2.201 10 0 CEAERO COC12CCC(C(=O)OC(C)(C)C)(CC1)[C@H]([NH3+])C2 ZINC000725265116 539213130 /nfs/dbraw/zinc/21/31/30/539213130.db2.gz GXNGANKOURDSAS-GWMXKSKGSA-N 1 0 255.358 2.005 10 0 CEAERO C[C@@H](C(=O)N1CCC2(CC1)C[NH2+]C[C@H](C)O2)C(C)(C)C ZINC000725271323 539215301 /nfs/dbraw/zinc/21/53/01/539215301.db2.gz CFUPHRNMFADUSR-STQMWFEESA-N 1 0 282.428 2.038 10 0 CEAERO C[C@@H]1CCC[C@@H](CNC(=O)C2CCC([NH3+])CC2)C1 ZINC000225396682 539234209 /nfs/dbraw/zinc/23/42/09/539234209.db2.gz UCHSLTDCXJVMJJ-IWMBGFJWSA-N 1 0 252.402 2.446 10 0 CEAERO CCN1CCO[C@H](C[NH2+]C[C@H]2CC(C)=C[C@@H](C)C2)C1 ZINC000300077566 539248373 /nfs/dbraw/zinc/24/83/73/539248373.db2.gz DFFCPJQAXOJMIH-FVQBIDKESA-N 1 0 266.429 2.289 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CC[C@H]1CCOC1 ZINC000300420442 539250161 /nfs/dbraw/zinc/25/01/61/539250161.db2.gz JIIULZUPHIFAPE-ARFHVFGLSA-N 1 0 266.429 2.362 10 0 CEAERO [NH3+]C1(CC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000398084592 539261041 /nfs/dbraw/zinc/26/10/41/539261041.db2.gz LPHDRLBDKXXTBU-DTWKUNHWSA-N 1 0 264.291 2.105 10 0 CEAERO C[C@H](NC(=O)CC1([NH3+])CC1)c1cc(F)ccc1F ZINC000398086714 539261074 /nfs/dbraw/zinc/26/10/74/539261074.db2.gz MLPKKCIJRFONRK-QMMMGPOBSA-N 1 0 254.280 2.023 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)Nc2ccc(F)nc2)[C@@H](C)C1 ZINC000126231047 187226373 /nfs/dbraw/zinc/22/63/73/187226373.db2.gz BGEBWGNLUCFVRD-JQWIXIFHSA-N 1 0 280.347 2.071 10 0 CEAERO [NH3+][C@H]1CCC[S@](=O)c2c(Br)cccc21 ZINC000040977257 362011086 /nfs/dbraw/zinc/01/10/86/362011086.db2.gz FCWPIJRWQWVDCS-LKFCYVNXSA-N 1 0 274.183 2.350 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(CC)CCO2)C12CCCC2 ZINC000225808024 539284214 /nfs/dbraw/zinc/28/42/14/539284214.db2.gz SCFUYRCKBXLULG-OWCLPIDISA-N 1 0 296.455 2.035 10 0 CEAERO CCC[C@H](C(=O)Nc1cccc(N(C)C(C)=O)c1)[NH+](C)C ZINC000126419428 187238557 /nfs/dbraw/zinc/23/85/57/187238557.db2.gz JYHSSVNSCYXQNH-OAHLLOKOSA-N 1 0 291.395 2.338 10 0 CEAERO CC[C@H](O)CN1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000174077581 529702394 /nfs/dbraw/zinc/70/23/94/529702394.db2.gz IRFPEBXCPMXEFP-WMZOPIPTSA-N 1 0 288.435 2.453 10 0 CEAERO CCc1cc(C(=O)c2ccccc2)c(NC(=O)C[NH3+])s1 ZINC000005954330 343355151 /nfs/dbraw/zinc/35/51/51/343355151.db2.gz PNLIRIIWTYNDMD-UHFFFAOYSA-N 1 0 288.372 2.439 10 0 CEAERO Cc1noc2ncnc(NCc3ccc4c(c3)C[NH2+]C4)c12 ZINC000097830025 539307590 /nfs/dbraw/zinc/30/75/90/539307590.db2.gz MUOCSSQQTSLLSB-UHFFFAOYSA-N 1 0 281.319 2.142 10 0 CEAERO COc1ccc2c3c1O[C@H]1CC(=O)CC[C@@]31CC[N@@H+](C)C2 ZINC000036451179 343423847 /nfs/dbraw/zinc/42/38/47/343423847.db2.gz UFQNQEIAGBZCBL-YOEHRIQHSA-N 1 0 287.359 2.283 10 0 CEAERO COc1cccc([C@@H](N)[C@@H]([NH3+])c2cccc(OC)c2)c1 ZINC000034214047 343418772 /nfs/dbraw/zinc/41/87/72/343418772.db2.gz VLIGRZTVNRBXFH-IYBDPMFKSA-N 1 0 272.348 2.404 10 0 CEAERO Cc1ccc(OC[C@@H](O)C[NH2+][C@H](CO)CC(C)C)c(C)c1 ZINC000040777096 343438123 /nfs/dbraw/zinc/43/81/23/343438123.db2.gz JRCXELCBFCULCU-HOTGVXAUSA-N 1 0 295.423 2.040 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@@H](C)c1cc(F)ccc1F ZINC000037007718 343424928 /nfs/dbraw/zinc/42/49/28/343424928.db2.gz QIHFJHXDBSRYRR-UFBFGSQYSA-N 1 0 256.296 2.269 10 0 CEAERO O[C@H]1CCC[C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)C1 ZINC000037166303 343425996 /nfs/dbraw/zinc/42/59/96/343425996.db2.gz GZKLEJQLADTNFI-IRXDYDNUSA-N 1 0 285.391 2.325 10 0 CEAERO CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H](O)C2)cc1OC ZINC000037163805 343426094 /nfs/dbraw/zinc/42/60/94/343426094.db2.gz QUQCGSKKESEUES-ZIAGYGMSSA-N 1 0 279.380 2.487 10 0 CEAERO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](O)C2)c(OC)c1OC ZINC000037164396 343426096 /nfs/dbraw/zinc/42/60/96/343426096.db2.gz QLNVQJRXESGHGN-CHWSQXEVSA-N 1 0 295.379 2.106 10 0 CEAERO COc1cc(C[NH2+][C@H]2CCC[C@@H](O)C2)cc(OC)c1OC ZINC000037164269 343426192 /nfs/dbraw/zinc/42/61/92/343426192.db2.gz GOHAMCMBAWJBBY-QWHCGFSZSA-N 1 0 295.379 2.106 10 0 CEAERO Cc1ccccc1OCCN(C)C(=O)C1CCC([NH3+])CC1 ZINC000037802537 343431633 /nfs/dbraw/zinc/43/16/33/343431633.db2.gz UWFGHMOLHSUQLZ-UHFFFAOYSA-N 1 0 290.407 2.350 10 0 CEAERO CC(=O)N(CCCCC[NH3+])OCc1ccccc1 ZINC000039644584 343436311 /nfs/dbraw/zinc/43/63/11/343436311.db2.gz NABORAZTCXQGQM-UHFFFAOYSA-N 1 0 250.342 2.096 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cccc(OC)c1F ZINC000128025065 187346620 /nfs/dbraw/zinc/34/66/20/187346620.db2.gz QZZJSOGGXZDHQW-GFCCVEGCSA-N 1 0 294.370 2.391 10 0 CEAERO CC(C)[C@H](C)C[NH2+]C[C@H](O)COCc1ccco1 ZINC000081058593 344038215 /nfs/dbraw/zinc/03/82/15/344038215.db2.gz ASGYODYYJCURDD-OLZOCXBDSA-N 1 0 255.358 2.039 10 0 CEAERO C[C@H]1CN(C(=O)CC2(C[NH3+])CCCCC2)CCS1 ZINC000128081033 187350158 /nfs/dbraw/zinc/35/01/58/187350158.db2.gz BIBWAAMSIOHTFB-LBPRGKRZSA-N 1 0 270.442 2.250 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C)CN1Cc1ccc(OC)cc1OC ZINC000083586729 178595370 /nfs/dbraw/zinc/59/53/70/178595370.db2.gz ACPGYRKVTLHYOW-TZMCWYRMSA-N 1 0 278.396 2.276 10 0 CEAERO C[NH+](C)CCNc1nccc(Oc2ccc(F)cc2)n1 ZINC000090998316 344147607 /nfs/dbraw/zinc/14/76/07/344147607.db2.gz IIQSPNYLXVVTCO-UHFFFAOYSA-N 1 0 276.315 2.382 10 0 CEAERO [NH3+]CC(=O)Cc1cc(Br)ccc1Cl ZINC000113226114 344276235 /nfs/dbraw/zinc/27/62/35/344276235.db2.gz CPGZKLLBIDLVCK-UHFFFAOYSA-N 1 0 262.534 2.173 10 0 CEAERO CCO[C@H]1CCC[N@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000114503695 344279918 /nfs/dbraw/zinc/27/99/18/344279918.db2.gz LNZGPJMJLYDWJG-SJORKVTESA-N 1 0 293.407 2.065 10 0 CEAERO CC(C)([NH3+])[C@@H](O)c1sccc1Br ZINC000129110978 344341489 /nfs/dbraw/zinc/34/14/89/344341489.db2.gz KPAOATTVPKLOKV-ZETCQYMHSA-N 1 0 250.161 2.281 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000134567654 344375366 /nfs/dbraw/zinc/37/53/66/344375366.db2.gz DYFXEHBOCRNWGV-AAEUAGOBSA-N 1 0 284.350 2.336 10 0 CEAERO Cc1ccc(Br)c(N2CC[C@@H]([NH3+])C2)c1 ZINC000134867445 344378101 /nfs/dbraw/zinc/37/81/01/344378101.db2.gz ASLRNZKGYKUZSR-SECBINFHSA-N 1 0 255.159 2.295 10 0 CEAERO C[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+]2C)[C@@H]1C ZINC000139294408 344392769 /nfs/dbraw/zinc/39/27/69/344392769.db2.gz JVFBHZOVBCRDIC-MQYQWHSLSA-N 1 0 267.417 2.205 10 0 CEAERO CCOC(=O)[C@@H]1CN(Cc2ccccc2)CC(C)(C)C1=O ZINC000140105799 344396568 /nfs/dbraw/zinc/39/65/68/344396568.db2.gz LDMQAVIBTBSPFI-CQSZACIVSA-N 1 0 289.375 2.277 10 0 CEAERO Brc1cnccc1NCC1CC[NH2+]CC1 ZINC000140380875 344397835 /nfs/dbraw/zinc/39/78/35/344397835.db2.gz BNVYQHXGOLQJSM-UHFFFAOYSA-N 1 0 270.174 2.256 10 0 CEAERO [NH2+]=C1N[C@@H](c2ccc(Br)c(Cl)c2)CO1 ZINC000169698879 344482135 /nfs/dbraw/zinc/48/21/35/344482135.db2.gz CAUDDYUZRJCDKZ-MRVPVSSYSA-N 1 0 275.533 2.489 10 0 CEAERO [NH2+]=C1N[C@H](c2ccc(Br)c(Cl)c2)CO1 ZINC000169698880 344482139 /nfs/dbraw/zinc/48/21/39/344482139.db2.gz CAUDDYUZRJCDKZ-QMMMGPOBSA-N 1 0 275.533 2.489 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)CCCc2ccccn2)C1 ZINC000170903787 344492320 /nfs/dbraw/zinc/49/23/20/344492320.db2.gz KRHMDVJIGATULA-HNNXBMFYSA-N 1 0 275.396 2.005 10 0 CEAERO CCC[NH+]1CCC(N(C)C(=O)N[C@H](C)[C@H]2CCCO2)CC1 ZINC000171042505 344494716 /nfs/dbraw/zinc/49/47/16/344494716.db2.gz MOZCMCCUTJSERJ-UKRRQHHQSA-N 1 0 297.443 2.070 10 0 CEAERO C[C@H]([NH2+]C[C@@H](O)COC(C)(C)C)c1ccc2c(c1)OCO2 ZINC000192477551 344517147 /nfs/dbraw/zinc/51/71/47/344517147.db2.gz KCMGXPGXHXMPOQ-WCQYABFASA-N 1 0 295.379 2.242 10 0 CEAERO Cn1cnc2nc(Cl)nc(SCCC[NH+](C)C)c21 ZINC000207690103 344529262 /nfs/dbraw/zinc/52/92/62/344529262.db2.gz CDTHFTLDJIPXEH-UHFFFAOYSA-N 1 0 285.804 2.061 10 0 CEAERO C[C@H](Nc1ncnc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000050164118 362407205 /nfs/dbraw/zinc/40/72/05/362407205.db2.gz PEJKVUUIQNMLEF-NWDGAFQWSA-N 1 0 256.353 2.430 10 0 CEAERO C[C@H]([NH3+])c1ccc(C(=O)N2CCCCC2)c(F)c1 ZINC000218484583 344536250 /nfs/dbraw/zinc/53/62/50/344536250.db2.gz UAJBLVQRHIWQTC-JTQLQIEISA-N 1 0 250.317 2.472 10 0 CEAERO NC(=[NH2+])c1ccc(NC(=O)NCc2ccccc2)cc1 ZINC000220366737 344538609 /nfs/dbraw/zinc/53/86/09/344538609.db2.gz GKFHQKQLAKBGRV-UHFFFAOYSA-N 1 0 268.320 2.292 10 0 CEAERO CCCCOC[C@@H](O)C[NH2+]Cc1cscc1C ZINC000227894447 344557557 /nfs/dbraw/zinc/55/75/57/344557557.db2.gz HTXZDDHYKBWEFU-ZDUSSCGKSA-N 1 0 257.399 2.324 10 0 CEAERO C[C@H]([NH3+])C[S@](=O)c1c(Cl)cccc1Cl ZINC000227966998 344558169 /nfs/dbraw/zinc/55/81/69/344558169.db2.gz YMKKHKGBGFTXNS-MDAAJZPYSA-N 1 0 252.166 2.448 10 0 CEAERO C[C@H](C[NH3+])[C@@H](C)Nc1ccncc1Br ZINC000228820702 344563713 /nfs/dbraw/zinc/56/37/13/344563713.db2.gz PLSDORCGEIBZHK-HTQZYQBOSA-N 1 0 258.163 2.239 10 0 CEAERO C[C@H]([NH3+])C[C@H](C)Nc1nc(C(F)(F)F)ns1 ZINC000228812048 344563817 /nfs/dbraw/zinc/56/38/17/344563817.db2.gz VLLJXWWILTYIJO-WHFBIAKZSA-N 1 0 254.281 2.095 10 0 CEAERO C[C@]1(c2ccc(I)cc2)C[C@@H]1[NH3+] ZINC000235716075 344592405 /nfs/dbraw/zinc/59/24/05/344592405.db2.gz LBCQXQKYWYKXRD-VHSXEESVSA-N 1 0 273.117 2.280 10 0 CEAERO Brc1ccc(CO[C@@H]2CC[NH2+]C2)s1 ZINC000051782467 362436727 /nfs/dbraw/zinc/43/67/27/362436727.db2.gz DOVGCECTBVTGHR-SSDOTTSWSA-N 1 0 262.172 2.389 10 0 CEAERO C[C@H](C[NH3+])Nc1cc(F)c(Br)cc1F ZINC000232161013 344576740 /nfs/dbraw/zinc/57/67/40/344576740.db2.gz UCKVAIAZSOQDCD-RXMQYKEDSA-N 1 0 265.101 2.486 10 0 CEAERO CC(C)C1CCN(C(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000232531795 344578051 /nfs/dbraw/zinc/57/80/51/344578051.db2.gz ZLQGCIOIIOJCFJ-CYBMUJFWSA-N 1 0 252.402 2.271 10 0 CEAERO C[NH2+]Cc1cccc(C)c1I ZINC000234440352 344585157 /nfs/dbraw/zinc/58/51/57/344585157.db2.gz ONZBFGZQRNGPNE-UHFFFAOYSA-N 1 0 261.106 2.319 10 0 CEAERO CCOc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCNC1=O ZINC000050394201 362417003 /nfs/dbraw/zinc/41/70/03/362417003.db2.gz IRTRDBSMCKEBCY-DGCLKSJQSA-N 1 0 262.353 2.015 10 0 CEAERO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2CCCO)cc1C ZINC000052762888 362473656 /nfs/dbraw/zinc/47/36/56/362473656.db2.gz IKYQNVZYOJFBQR-INIZCTEOSA-N 1 0 290.407 2.479 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@H](C)[C@@H]2CCCC[C@@H]21 ZINC000223906558 539395387 /nfs/dbraw/zinc/39/53/87/539395387.db2.gz RCAXDYAOPBCKFT-QMIVOQANSA-N 1 0 264.413 2.269 10 0 CEAERO [NH3+]Cc1cnc(OC(F)(F)F)c(Br)c1 ZINC000238569945 344606438 /nfs/dbraw/zinc/60/64/38/344606438.db2.gz ONWFBNIXIRGCMC-UHFFFAOYSA-N 1 0 271.036 2.201 10 0 CEAERO C[C@H]([NH3+])c1sccc1I ZINC000238437854 344606725 /nfs/dbraw/zinc/60/67/25/344606725.db2.gz RTYIRPMPKRHQHF-BYPYZUCNSA-N 1 0 253.108 2.372 10 0 CEAERO [NH3+]Cc1ncc(OC(F)(F)F)cc1Br ZINC000238609309 344607044 /nfs/dbraw/zinc/60/70/44/344607044.db2.gz SFZRWPJPKOWLCK-UHFFFAOYSA-N 1 0 271.036 2.201 10 0 CEAERO [NH3+][C@H](CF)c1cc(I)ccc1F ZINC000238684268 344607668 /nfs/dbraw/zinc/60/76/68/344607668.db2.gz APAOJPBQVVOKJI-MRVPVSSYSA-N 1 0 283.059 2.400 10 0 CEAERO C[N@@H+]1CCN(C(=O)OCc2ccccc2)CC1(C)C ZINC000307247627 344721115 /nfs/dbraw/zinc/72/11/15/344721115.db2.gz AFEDBNNCLFIAGN-UHFFFAOYSA-N 1 0 262.353 2.349 10 0 CEAERO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1C[C@H]1CO ZINC000309579392 344729529 /nfs/dbraw/zinc/72/95/29/344729529.db2.gz PXYZHTZSCSTIAL-SUZMYJTESA-N 1 0 284.197 2.351 10 0 CEAERO CCC[C@@H]1C[C@H]1[NH2+]C[C@H](O)COCc1cccs1 ZINC000300583112 344700690 /nfs/dbraw/zinc/70/06/90/344700690.db2.gz LGGHGPPHFYFYRU-MBNYWOFBSA-N 1 0 269.410 2.404 10 0 CEAERO CC[C@@H]1CC[C@H]([NH3+])[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000306558190 344714607 /nfs/dbraw/zinc/71/46/07/344714607.db2.gz OQQGZFWOLGMXEH-SWHYSGLUSA-N 1 0 272.348 2.189 10 0 CEAERO C[C@@H]1CS[C@]2(CCN(C(=O)OC(C)(C)C)C2)[NH2+]1 ZINC000306594053 344715140 /nfs/dbraw/zinc/71/51/40/344715140.db2.gz XHRUYGWQJFUQCZ-SKDRFNHKSA-N 1 0 258.387 2.048 10 0 CEAERO Cc1nc(NCC[NH2+]C2CC2)c(Cl)cc1C#N ZINC000393828762 344841081 /nfs/dbraw/zinc/84/10/81/344841081.db2.gz JLSZGNKWINCYRU-UHFFFAOYSA-N 1 0 250.733 2.079 10 0 CEAERO C[C@H](O)[C@](C)(C[NH3+])Cc1cccc(Br)c1 ZINC000083777628 178746104 /nfs/dbraw/zinc/74/61/04/178746104.db2.gz NXVOGSONYAYPEJ-CABZTGNLSA-N 1 0 272.186 2.337 10 0 CEAERO CCOC(=O)C1=C(O)C(C)(C)[N@H+](Cc2ccccc2)CC1 ZINC000396930741 344849954 /nfs/dbraw/zinc/84/99/54/344849954.db2.gz PBLJRPPLECJZPR-CQSZACIVSA-N 1 0 289.375 2.419 10 0 CEAERO [NH3+]CCCC(=O)Nc1c(F)cc(Br)cc1F ZINC000083848017 178753409 /nfs/dbraw/zinc/75/34/09/178753409.db2.gz CDGKIWIYRPOMJX-UHFFFAOYSA-N 1 0 293.111 2.405 10 0 CEAERO COC(=O)[C@@H]1CCC[N@H+](CCc2ncc(C)cc2C)C1 ZINC000401070899 344866026 /nfs/dbraw/zinc/86/60/26/344866026.db2.gz JMOZYRODIWHVJP-CQSZACIVSA-N 1 0 276.380 2.126 10 0 CEAERO CC[C@@H](C[NH3+])NC(=O)c1cccc(Br)c1C ZINC000083891141 178759332 /nfs/dbraw/zinc/75/93/32/178759332.db2.gz WVVHWYXPCQCDJM-VIFPVBQESA-N 1 0 285.185 2.225 10 0 CEAERO Fc1cc(CN2CC[C@H]3OCC[NH2+][C@H]3C2)ccc1Cl ZINC000404288399 344879098 /nfs/dbraw/zinc/87/90/98/344879098.db2.gz YVDPYVQXRKBVQL-UONOGXRCSA-N 1 0 284.762 2.042 10 0 CEAERO C[NH2+][C@@H](C)CCC[S@@](=O)c1ccc(F)c(F)c1 ZINC000084032331 178773499 /nfs/dbraw/zinc/77/34/99/178773499.db2.gz QTQOVWNSWDTKGX-XYZCENFISA-N 1 0 261.337 2.461 10 0 CEAERO Cc1ccccc1C[S@@](=O)CCC[NH2+]C1CC1 ZINC000083997319 178769244 /nfs/dbraw/zinc/76/92/44/178769244.db2.gz PLGKTQTXMRLXCM-QGZVFWFLSA-N 1 0 251.395 2.386 10 0 CEAERO COc1ccc([C@@H](C)[NH3+])cc1C[S@](=O)C(C)C ZINC000084042744 178777327 /nfs/dbraw/zinc/77/73/27/178777327.db2.gz SZFBVCONRVSBPP-BMLIUANNSA-N 1 0 255.383 2.372 10 0 CEAERO CCOC(=O)[C@@H](CC)Oc1ccc([C@H](C)[NH3+])cc1 ZINC000084098182 178788682 /nfs/dbraw/zinc/78/86/82/178788682.db2.gz JGJWKNWJEIXHRK-GXFFZTMASA-N 1 0 251.326 2.427 10 0 CEAERO O=C1c2ccccc2COc2ccc(CCC[NH2+]CO)cc21 ZINC000584602167 344963004 /nfs/dbraw/zinc/96/30/04/344963004.db2.gz VKRFEOPTFUNDCZ-UHFFFAOYSA-N 1 0 297.354 2.282 10 0 CEAERO [NH2+]=C(CCNC(=O)c1ccc(-c2ccccc2)cc1)NO ZINC000584611974 344964749 /nfs/dbraw/zinc/96/47/49/344964749.db2.gz WWHZVFXAGYUBBJ-UHFFFAOYSA-N 1 0 283.331 2.430 10 0 CEAERO C[NH+](C)CC[C@@H](C(N)=O)c1cccc2ccccc21 ZINC000584620555 344967400 /nfs/dbraw/zinc/96/74/00/344967400.db2.gz IJQQKIXHFXFRDX-OAHLLOKOSA-N 1 0 256.349 2.360 10 0 CEAERO C[C@H]1CCCC2(CC(=O)N(CCC[NH+](C)C)C(=O)C2)C1 ZINC000584631081 344969169 /nfs/dbraw/zinc/96/91/69/344969169.db2.gz RXTKEUVCFVFEEY-ZDUSSCGKSA-N 1 0 280.412 2.284 10 0 CEAERO [NH3+]Cc1cc(-c2cnc(C(F)(F)F)nc2)ncc1F ZINC000584636925 344971257 /nfs/dbraw/zinc/97/12/57/344971257.db2.gz JBQXQQXYRGQQPO-UHFFFAOYSA-N 1 0 272.205 2.155 10 0 CEAERO CCOC(=O)[C@@H](CC)Oc1cc(C[C@@H](C)[NH3+])ccc1OC ZINC000084105997 178792661 /nfs/dbraw/zinc/79/26/61/178792661.db2.gz KOXCONCMPHIMQG-DGCLKSJQSA-N 1 0 295.379 2.305 10 0 CEAERO CCOC(=O)[C@H](CC)Oc1ccc(C[C@@H](C)[NH3+])cc1 ZINC000084105759 178792915 /nfs/dbraw/zinc/79/29/15/178792915.db2.gz NTGWIXHGKMQPBQ-RISCZKNCSA-N 1 0 265.353 2.297 10 0 CEAERO C[C@@H]([NH3+])c1cccc(S[C@H]2CCCCNC2=O)c1 ZINC000084122552 178797713 /nfs/dbraw/zinc/79/77/13/178797713.db2.gz QFGWWSFTUKFLIW-MFKMUULPSA-N 1 0 264.394 2.467 10 0 CEAERO C[C@@H]([NH3+])c1cccc(SCCC(=O)N(C)C)c1 ZINC000084122830 178798103 /nfs/dbraw/zinc/79/81/03/178798103.db2.gz OCIDKYCRFCGFFW-SNVBAGLBSA-N 1 0 252.383 2.277 10 0 CEAERO CCS(=O)(=O)c1ccccc1N1CCC(CC[NH3+])CC1 ZINC000053705750 362498477 /nfs/dbraw/zinc/49/84/77/362498477.db2.gz LTNXCZLLWPWHRL-UHFFFAOYSA-N 1 0 296.436 2.045 10 0 CEAERO CNC(=O)Nc1ccc(NC(=O)CC2([NH3+])CCCC2)cc1 ZINC000084167869 178812646 /nfs/dbraw/zinc/81/26/46/178812646.db2.gz XPGXTZQOTGHZHY-UHFFFAOYSA-N 1 0 290.367 2.038 10 0 CEAERO CCOc1ccc(NC(=O)C[C@H]2CCC[NH2+]C2)cc1 ZINC000054290034 362521646 /nfs/dbraw/zinc/52/16/46/362521646.db2.gz CDJRVHOAHIXROB-GFCCVEGCSA-N 1 0 262.353 2.414 10 0 CEAERO C[NH2+][C@H](C)C(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000054074915 362510742 /nfs/dbraw/zinc/51/07/42/362510742.db2.gz QKMCQQPAQFAGBJ-BDAKNGLRSA-N 1 0 256.296 2.092 10 0 CEAERO CCC(CC)N(CCOC)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054292012 362522946 /nfs/dbraw/zinc/52/29/46/362522946.db2.gz ZVTYGMYTWMUNPJ-ZDUSSCGKSA-N 1 0 270.417 2.040 10 0 CEAERO C[C@H](NC(=O)C[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000054292951 362523227 /nfs/dbraw/zinc/52/32/27/362523227.db2.gz JPBLMHKGCVVSCC-QWHCGFSZSA-N 1 0 252.402 2.461 10 0 CEAERO CN(Cc1ccc(F)cc1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054291206 362523237 /nfs/dbraw/zinc/52/32/37/362523237.db2.gz DJPFPMHSXKZZCD-ZDUSSCGKSA-N 1 0 264.344 2.174 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1ccc(-n2cccn2)cc1 ZINC000054306769 362525179 /nfs/dbraw/zinc/52/51/79/362525179.db2.gz DNYSTLOVIZTQOO-ZDUSSCGKSA-N 1 0 284.363 2.201 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1ccc2[nH]ccc2c1 ZINC000054308682 362526655 /nfs/dbraw/zinc/52/66/55/362526655.db2.gz OWVXDOSNBNFFDK-NSHDSACASA-N 1 0 257.337 2.496 10 0 CEAERO Cc1cccc(F)c1NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000225030071 539441815 /nfs/dbraw/zinc/44/18/15/539441815.db2.gz XESMNYUASSNHMV-MNOVXSKESA-N 1 0 250.317 2.448 10 0 CEAERO Cc1nn(C)c(COCC[NH2+]C(C)C)c1Br ZINC000084271315 178838011 /nfs/dbraw/zinc/83/80/11/178838011.db2.gz YAOKWWCIWXTICP-UHFFFAOYSA-N 1 0 290.205 2.006 10 0 CEAERO C[NH2+][C@@H](C)[C@H](C)Cc1c(Br)c(C)nn1C ZINC000084271739 178838438 /nfs/dbraw/zinc/83/84/38/178838438.db2.gz MNDPCHKONCKLPW-SFYZADRCSA-N 1 0 274.206 2.278 10 0 CEAERO Cc1nn(C)c(C[C@H]([NH3+])CC(F)(F)F)c1Cl ZINC000084273765 178839681 /nfs/dbraw/zinc/83/96/81/178839681.db2.gz KCVWXVCKOMPSEC-LURJTMIESA-N 1 0 255.671 2.204 10 0 CEAERO CCC[NH2+][C@@](C)(C[C@H](C)SCC(C)C)C(N)=O ZINC000084313650 178856426 /nfs/dbraw/zinc/85/64/26/178856426.db2.gz PRDVJFCSRCTQOQ-AAEUAGOBSA-N 1 0 260.447 2.398 10 0 CEAERO CCc1nn(C)c(C[C@@H]([NH3+])C2CC2)c1Br ZINC000084295794 178848305 /nfs/dbraw/zinc/84/83/05/178848305.db2.gz JFJUDXVUINOUFT-MRVPVSSYSA-N 1 0 272.190 2.025 10 0 CEAERO Cc1ccc(S[C@H](C)C[C@@](C)([NH3+])C(N)=O)c(C)c1 ZINC000084347091 178860412 /nfs/dbraw/zinc/86/04/12/178860412.db2.gz LCRJWLYDFKGHIA-BXUZGUMPSA-N 1 0 266.410 2.377 10 0 CEAERO COC(=O)[C@](C)([NH3+])C[C@H](C)Sc1ccc(OC)cc1 ZINC000084347501 178861030 /nfs/dbraw/zinc/86/10/30/178861030.db2.gz QCVPRKSIAINIJK-IINYFYTJSA-N 1 0 283.393 2.456 10 0 CEAERO C[NH2+][C@@H](C)C[C@H](C)S(=O)(=O)Cc1ccccc1C ZINC000084357644 178867939 /nfs/dbraw/zinc/86/79/39/178867939.db2.gz YTHRBUKNTFNGJL-STQMWFEESA-N 1 0 269.410 2.296 10 0 CEAERO Cc1cccc(CS(=O)(=O)[C@H](C)C[C@H](C)[NH3+])c1 ZINC000084357616 178868663 /nfs/dbraw/zinc/86/86/63/178868663.db2.gz SEVOZSXFILJRCT-NWDGAFQWSA-N 1 0 255.383 2.036 10 0 CEAERO C[NH2+][C@H](c1cnn(C)c1C)c1cc(F)ccc1F ZINC000097126169 185541186 /nfs/dbraw/zinc/54/11/86/185541186.db2.gz YKSLRSUKFCCXDU-ZDUSSCGKSA-N 1 0 251.280 2.316 10 0 CEAERO O=C(C[C@@H]1CC[NH2+]C1)Nc1ccccc1Br ZINC000084381518 178878236 /nfs/dbraw/zinc/87/82/36/178878236.db2.gz DSVLCJKYNHJFFT-VIFPVBQESA-N 1 0 283.169 2.387 10 0 CEAERO CCC[NH2+][C@@H]1CC[C@@H](Sc2n[nH]c(=O)n2C(C)C)C1 ZINC000084435928 178888387 /nfs/dbraw/zinc/88/83/87/178888387.db2.gz RPJIRTYSFJMSFW-GHMZBOCLSA-N 1 0 284.429 2.165 10 0 CEAERO COC[C@H](C)N(C)c1ccc(C[NH2+]CC(C)C)cn1 ZINC000051482919 522594864 /nfs/dbraw/zinc/59/48/64/522594864.db2.gz BWKBLLJFSYIHAN-ZDUSSCGKSA-N 1 0 265.401 2.298 10 0 CEAERO CC[NH2+][C@@H](COCC)c1cccc2c1OCCO2 ZINC000097303740 185581432 /nfs/dbraw/zinc/58/14/32/185581432.db2.gz QVEIWMMKORSREE-LBPRGKRZSA-N 1 0 251.326 2.145 10 0 CEAERO CCC[NH2+][C@@H](Cc1cc(C)nn1C)[C@H]1CCSC1 ZINC000097273342 185576106 /nfs/dbraw/zinc/57/61/06/185576106.db2.gz ASQPAUZBLPUAKF-JSGCOSHPSA-N 1 0 267.442 2.392 10 0 CEAERO Cc1ncsc1[C@H]([NH3+])[C@@H]1CCOC2(CCOCC2)C1 ZINC000097310749 185583969 /nfs/dbraw/zinc/58/39/69/185583969.db2.gz FJSXDXVYYJZSBZ-VXGBXAGGSA-N 1 0 282.409 2.427 10 0 CEAERO CCO[C@@H](C)c1noc([C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])n1 ZINC000084797582 178927004 /nfs/dbraw/zinc/92/70/04/178927004.db2.gz IFYHXVSVFNTGRB-SSRBZLIGSA-N 1 0 251.330 2.008 10 0 CEAERO C[C@H]1CC([NH2+]Cc2cnc(N(C)C)n2C)C[C@@H](C)C1 ZINC000084974104 178937038 /nfs/dbraw/zinc/93/70/38/178937038.db2.gz JVXYKPVSCKALRO-FUNVUKJBSA-N 1 0 264.417 2.400 10 0 CEAERO C[C@@H](CN1CCCC1=O)[NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000084987376 178939310 /nfs/dbraw/zinc/93/93/10/178939310.db2.gz RBPTZUSGHPOBHQ-RFGFWPKPSA-N 1 0 252.402 2.412 10 0 CEAERO CCn1c(C[NH2+][C@H]2CCO[C@H]2C)nc2ccccc21 ZINC000149476139 539501620 /nfs/dbraw/zinc/50/16/20/539501620.db2.gz GJXRFUHGKYGIIM-RYUDHWBXSA-N 1 0 259.353 2.323 10 0 CEAERO [NH3+][C@H]1CC[C@H](c2nnc3ccc(Br)cn32)C1 ZINC000085007789 178942514 /nfs/dbraw/zinc/94/25/14/178942514.db2.gz YNQOQOJJPPRBDB-CBAPKCEASA-N 1 0 281.157 2.087 10 0 CEAERO C[NH2+][C@H](C)[C@@H]1CCCCN1Cc1ccn(C(C)C)n1 ZINC000085160604 178960015 /nfs/dbraw/zinc/96/00/15/178960015.db2.gz OTVBZDVBYKZWIP-HIFRSBDPSA-N 1 0 264.417 2.426 10 0 CEAERO CC[NH2+][C@](CO)(CN(C)c1cccc(C)c1)C1CC1 ZINC000085214283 178978843 /nfs/dbraw/zinc/97/88/43/178978843.db2.gz UCASMMDLKLFMQY-INIZCTEOSA-N 1 0 262.397 2.182 10 0 CEAERO CC[NH+](CC)CC[C@@H](Cc1ccc2c(c1)CCC2)NN ZINC000097591714 185634374 /nfs/dbraw/zinc/63/43/74/185634374.db2.gz KVMRBVZKVPCJPH-KRWDZBQOSA-N 1 0 275.440 2.282 10 0 CEAERO CC[NH+](CC)C1([C@@H](Cc2nccs2)NN)CCCC1 ZINC000097588143 185633317 /nfs/dbraw/zinc/63/33/17/185633317.db2.gz AQFBFQGBLNAQPB-GFCCVEGCSA-N 1 0 282.457 2.172 10 0 CEAERO CCCCOc1ccc(C(=O)N2CC[C@H]([NH3+])[C@H]2C)cc1 ZINC000312517740 201911243 /nfs/dbraw/zinc/91/12/43/201911243.db2.gz SXINBMREBFRDIX-DOMZBBRYSA-N 1 0 276.380 2.427 10 0 CEAERO C[NH2+][C@](C)(CO)CCCOc1ccc2c(c1)CCC2 ZINC000085282559 179000058 /nfs/dbraw/zinc/00/00/58/179000058.db2.gz WDIOPKOSDSHGTC-INIZCTEOSA-N 1 0 263.381 2.305 10 0 CEAERO C[NH2+][C@@](C)(CO)C[C@H](C)Oc1ccc(F)cc1F ZINC000085283039 179000726 /nfs/dbraw/zinc/00/07/26/179000726.db2.gz KBBNELZJMGHCFT-TVQRCGJNSA-N 1 0 259.296 2.093 10 0 CEAERO CCC[NH2+][C@](C)(CO)CCCOCC(F)(F)F ZINC000085282794 179000778 /nfs/dbraw/zinc/00/07/78/179000778.db2.gz MUPIVXGJHDNTSI-JTQLQIEISA-N 1 0 257.296 2.096 10 0 CEAERO Cc1ccccc1OC[C@]([NH3+])(CO)c1ccccc1 ZINC000085285005 179002571 /nfs/dbraw/zinc/00/25/71/179002571.db2.gz GSLIMRLNKGBZHY-MRXNPFEDSA-N 1 0 257.333 2.220 10 0 CEAERO CCOc1ccc(O[C@@H](C)C[C@@](C)(CO)[NH2+]C)cc1 ZINC000085283344 179001685 /nfs/dbraw/zinc/00/16/85/179001685.db2.gz PBEAAZZWHWMEHQ-WFASDCNBSA-N 1 0 267.369 2.213 10 0 CEAERO Cc1cccc(OCC[C@H](CO)[NH2+]C(C)C)c1C ZINC000085283908 179001691 /nfs/dbraw/zinc/00/16/91/179001691.db2.gz AEZLUICDHIHCOA-CQSZACIVSA-N 1 0 251.370 2.431 10 0 CEAERO CO[C@H]1CCC[C@@H](OCC[C@@](C)(CO)[NH2+]C(C)C)C1 ZINC000085266049 178995933 /nfs/dbraw/zinc/99/59/33/178995933.db2.gz SODGMPQKYOAJIS-ZNMIVQPWSA-N 1 0 273.417 2.100 10 0 CEAERO CCC[NH2+][C@@H](CO)COc1ccc2c(c1)CCCC2 ZINC000085267235 178997493 /nfs/dbraw/zinc/99/74/93/178997493.db2.gz MOSNWZBQQYNQAH-HNNXBMFYSA-N 1 0 263.381 2.305 10 0 CEAERO CCc1cccc(OC[C@@](C)(CO)[NH2+]C(C)C)c1 ZINC000085270332 178998578 /nfs/dbraw/zinc/99/85/78/178998578.db2.gz ZRWWXTZLERFVEM-OAHLLOKOSA-N 1 0 251.370 2.377 10 0 CEAERO CC[NH+](CC)CC[C@H](NN)c1cncc(OC(C)C)c1 ZINC000097592058 185634699 /nfs/dbraw/zinc/63/46/99/185634699.db2.gz DYFGHOUUZILSMA-HNNXBMFYSA-N 1 0 280.416 2.105 10 0 CEAERO [NH3+][C@@](CO)(COc1cccc2ccccc21)C1CC1 ZINC000085285562 179003538 /nfs/dbraw/zinc/00/35/38/179003538.db2.gz CTROMCXGTSFEIL-INIZCTEOSA-N 1 0 257.333 2.318 10 0 CEAERO C[NH2+][C@@](C)(CO)COc1cccc(C(C)(C)C)c1 ZINC000085286496 179004161 /nfs/dbraw/zinc/00/41/61/179004161.db2.gz JJWKILRJQXBPNY-HNNXBMFYSA-N 1 0 251.370 2.333 10 0 CEAERO C[C@H]1CC[C@H](OCC[C@@H](CO)[NH2+]C2CC2)C[C@@H]1C ZINC000085287213 179004728 /nfs/dbraw/zinc/00/47/28/179004728.db2.gz UYZMVGZNRBZFDT-JURCDPSOSA-N 1 0 255.402 2.331 10 0 CEAERO COCCCS[C@H](C)C[C@](C)(CO)[NH2+]C(C)C ZINC000085290010 179005996 /nfs/dbraw/zinc/00/59/96/179005996.db2.gz UZWRGQNKVGWHPA-CHWSQXEVSA-N 1 0 263.447 2.284 10 0 CEAERO CCC1(CC)[C@H]([NH2+]C[C@H](O)COC(C)(C)C)C[C@H]1OC ZINC000191368672 282451842 /nfs/dbraw/zinc/45/18/42/282451842.db2.gz QGAFFGZQVOFFAK-BFHYXJOUSA-N 1 0 287.444 2.346 10 0 CEAERO OC[C@](CSc1ccccn1)([NH2+]C1CC1)C1CC1 ZINC000085292036 179007736 /nfs/dbraw/zinc/00/77/36/179007736.db2.gz NWQFFGFCHQAGAH-CQSZACIVSA-N 1 0 264.394 2.067 10 0 CEAERO Cc1nnc(SC[C@](CO)([NH2+]C(C)C)C2CC2)s1 ZINC000085297097 179008551 /nfs/dbraw/zinc/00/85/51/179008551.db2.gz XOMFQALBEGVLCE-LBPRGKRZSA-N 1 0 287.454 2.078 10 0 CEAERO C[NH2+][C@](C)(CO)CCSc1ccc(F)cc1F ZINC000085298303 179009021 /nfs/dbraw/zinc/00/90/21/179009021.db2.gz SKTZXXQCHQABMY-LBPRGKRZSA-N 1 0 261.337 2.417 10 0 CEAERO CC[NH2+][C@](C)(CO)CCCCSc1cnn(C)c1 ZINC000085297688 179009219 /nfs/dbraw/zinc/00/92/19/179009219.db2.gz KDUFEUXSSOLHRN-ZDUSSCGKSA-N 1 0 271.430 2.043 10 0 CEAERO C[NH2+][C@](C)(CO)CCSc1ccc(F)c(F)c1 ZINC000085298055 179009322 /nfs/dbraw/zinc/00/93/22/179009322.db2.gz PZPHVBRSCSQMBE-LBPRGKRZSA-N 1 0 261.337 2.417 10 0 CEAERO CC[NH2+][C@](C)(CO)C[C@@H](C)Sc1ncc(C)cn1 ZINC000085297818 179009337 /nfs/dbraw/zinc/00/93/37/179009337.db2.gz NEPDZLPTKSJZLE-YPMHNXCESA-N 1 0 269.414 2.016 10 0 CEAERO Cc1ccc(OCC[C@@H](CO)[NH2+]C(C)C)cc1C ZINC000085284701 179002808 /nfs/dbraw/zinc/00/28/08/179002808.db2.gz YGDPCOFRVFTLQV-AWEZNQCLSA-N 1 0 251.370 2.431 10 0 CEAERO C[C@H]1CCC[C@@H](OC[C@@](O)(C[NH3+])c2ccccc2)C1 ZINC000085305563 179011767 /nfs/dbraw/zinc/01/17/67/179011767.db2.gz WUXZMJWYVLYKQI-IMJJTQAJSA-N 1 0 263.381 2.428 10 0 CEAERO CCCCCCOC[C@](O)(C[NH3+])c1ccccc1 ZINC000085305539 179011929 /nfs/dbraw/zinc/01/19/29/179011929.db2.gz UOXMRYSDRWEBIX-OAHLLOKOSA-N 1 0 251.370 2.430 10 0 CEAERO Cc1cc2ncn(CCC[C@@](C)(O)C[NH3+])c2cc1C ZINC000085304610 179012251 /nfs/dbraw/zinc/01/22/51/179012251.db2.gz OFCGKURRUKQLPO-OAHLLOKOSA-N 1 0 261.369 2.143 10 0 CEAERO CCCOc1ccc(OCCC[C@@](C)(O)C[NH3+])cc1 ZINC000085307390 179012660 /nfs/dbraw/zinc/01/26/60/179012660.db2.gz RUAZQSUVNVDBQD-OAHLLOKOSA-N 1 0 267.369 2.344 10 0 CEAERO C[C@@H](C[NH3+])SCC(=O)N[C@@H](C)c1cccs1 ZINC000085306328 179012730 /nfs/dbraw/zinc/01/27/30/179012730.db2.gz ORJLIKBAIYKZOL-IUCAKERBSA-N 1 0 258.412 2.006 10 0 CEAERO [NH3+]C[C@@](O)(CSc1cc(F)ccc1F)C1CC1 ZINC000085308869 179013100 /nfs/dbraw/zinc/01/31/00/179013100.db2.gz VTTDZNKEJYYDGJ-GFCCVEGCSA-N 1 0 259.321 2.157 10 0 CEAERO Cc1csc(SC[C@@](O)(C[NH3+])c2ccccc2)n1 ZINC000085308678 179013403 /nfs/dbraw/zinc/01/34/03/179013403.db2.gz XVEKKYUILMMTNC-ZDUSSCGKSA-N 1 0 280.418 2.390 10 0 CEAERO CC1(C)Cc2cc([C@H](O)[C@@H]3CCC[NH2+]C3)ccc2O1 ZINC000085320737 179014188 /nfs/dbraw/zinc/01/41/88/179014188.db2.gz YGCYQEVAHSBAIJ-DOMZBBRYSA-N 1 0 261.365 2.433 10 0 CEAERO [NH3+]C[C@@](O)(CSc1nc2ccccc2s1)C1CC1 ZINC000085320516 179014272 /nfs/dbraw/zinc/01/42/72/179014272.db2.gz JTILZXUFAVAPBK-CYBMUJFWSA-N 1 0 280.418 2.488 10 0 CEAERO [NH3+]C[C@@](O)(CSc1ccc(F)cc1F)C1CC1 ZINC000085320500 179014513 /nfs/dbraw/zinc/01/45/13/179014513.db2.gz PBVAFPWZMNBPND-GFCCVEGCSA-N 1 0 259.321 2.157 10 0 CEAERO CN(Cc1ccc(F)cc1)C(=O)c1c[nH+]ccc1N ZINC000127601281 187318549 /nfs/dbraw/zinc/31/85/49/187318549.db2.gz 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CC(C)N(Cc1ccccn1)C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085368838 179038656 /nfs/dbraw/zinc/03/86/56/179038656.db2.gz AXBWEACENCZBKG-CABCVRRESA-N 1 0 275.396 2.336 10 0 CEAERO C[C@H](c1cccs1)N(C)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085369135 179038815 /nfs/dbraw/zinc/03/88/15/179038815.db2.gz SXDAXGLJLRDSOH-VWYCJHECSA-N 1 0 252.383 2.395 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)NCc1nc2ccccc2s1 ZINC000085370858 179041124 /nfs/dbraw/zinc/04/11/24/179041124.db2.gz VQCNFTWBIGDCQI-NXEZZACHSA-N 1 0 275.377 2.040 10 0 CEAERO CC(C)n1ncc2cc(NC(=O)[C@H]3CCC[C@H]3[NH3+])cnc21 ZINC000085371384 179041339 /nfs/dbraw/zinc/04/13/39/179041339.db2.gz KJZCRLBINYMQSS-QWHCGFSZSA-N 1 0 287.367 2.078 10 0 CEAERO C[C@H](Cc1ccsc1)NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085372533 179042114 /nfs/dbraw/zinc/04/21/14/179042114.db2.gz XWWRQRSNWJFAGL-WXHSDQCUSA-N 1 0 266.410 2.313 10 0 CEAERO CC(C)(C)C1CCN(C(=O)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085373713 179042803 /nfs/dbraw/zinc/04/28/03/179042803.db2.gz 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/nfs/dbraw/zinc/09/12/08/179091208.db2.gz KUJJXLAUHKKTJZ-QWHCGFSZSA-N 1 0 294.361 2.418 10 0 CEAERO CCC1(CC)C[NH2+][C@H](C2CC2)CN1Cc1cnn(C)c1 ZINC000085528962 179091246 /nfs/dbraw/zinc/09/12/46/179091246.db2.gz FVMYSEQDBMGLEC-HNNXBMFYSA-N 1 0 276.428 2.163 10 0 CEAERO COCCN1C[C@@H](C2CC2)[NH2+]C[C@@]1(C)c1ccccc1 ZINC000085529567 179091350 /nfs/dbraw/zinc/09/13/50/179091350.db2.gz UQDDUBCQJNLCJQ-IRXDYDNUSA-N 1 0 274.408 2.232 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](C2CCCCC2)CN1C[C@@H]1CCCO1 ZINC000085529674 179091988 /nfs/dbraw/zinc/09/19/88/179091988.db2.gz OUHPQCCIXKKKHO-VNQPRFMTSA-N 1 0 266.429 2.408 10 0 CEAERO Cc1ccc(F)c(OCCCC[C@](C)([NH3+])CO)c1 ZINC000085565127 179094386 /nfs/dbraw/zinc/09/43/86/179094386.db2.gz IBJSLHRUXXDKFA-AWEZNQCLSA-N 1 0 255.333 2.393 10 0 CEAERO CCc1nc2c(n1-c1ccc(N(C)C)cc1)CC[NH2+]C2 ZINC000085570410 179096410 /nfs/dbraw/zinc/09/64/10/179096410.db2.gz BNNIJEWHQRTZDF-UHFFFAOYSA-N 1 0 270.380 2.146 10 0 CEAERO CCCc1nc2c(n1[C@@H]1CCC[C@@H]1OC)CC[NH2+]C2 ZINC000085570833 179096478 /nfs/dbraw/zinc/09/64/78/179096478.db2.gz IGSOHBIKKDXZQA-KGLIPLIRSA-N 1 0 263.385 2.221 10 0 CEAERO CCCc1nc2c(n1[C@@H]1COc3ccccc31)CC[NH2+]C2 ZINC000085572066 179097448 /nfs/dbraw/zinc/09/74/48/179097448.db2.gz XNZXPDKEQCBIHV-OAHLLOKOSA-N 1 0 283.375 2.463 10 0 CEAERO CCC1(CC)CN(Cc2cnn(C)c2)[C@@H](C)CC[NH2+]1 ZINC000085628203 179106829 /nfs/dbraw/zinc/10/68/29/179106829.db2.gz AFLIRSWIDGLHEK-ZDUSSCGKSA-N 1 0 264.417 2.163 10 0 CEAERO C[C@H](O)CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000336794011 365816780 /nfs/dbraw/zinc/81/67/80/365816780.db2.gz ZHVPUQNGRAVCGK-XQLPTFJDSA-N 1 0 255.402 2.163 10 0 CEAERO CCn1cc(CN2CCC[NH2+][C@@H](CC(C)C)C2)cn1 ZINC000085611314 179103037 /nfs/dbraw/zinc/10/30/37/179103037.db2.gz LYFLUDQQEVMABG-HNNXBMFYSA-N 1 0 264.417 2.113 10 0 CEAERO CC[C@@H]1CN(Cc2ccc(OC)c(OC)c2)CCC[NH2+]1 ZINC000085614192 179103074 /nfs/dbraw/zinc/10/30/74/179103074.db2.gz FGDWUUOTRKRESE-CQSZACIVSA-N 1 0 278.396 2.278 10 0 CEAERO C[C@@H]1CC[NH2+][C@H](C2CC2)CN1Cc1cn2ccccc2n1 ZINC000085626971 179107422 /nfs/dbraw/zinc/10/74/22/179107422.db2.gz MVMRUIGOEOLGKX-CJNGLKHVSA-N 1 0 284.407 2.297 10 0 CEAERO COCCOCCN1C[C@@H](c2ccccc2)[NH2+]CC[C@@H]1C ZINC000085621473 179105164 /nfs/dbraw/zinc/10/51/64/179105164.db2.gz DTTDUBTXVSZPDC-RDJZCZTQSA-N 1 0 292.423 2.075 10 0 CEAERO C[C@H]1CC[NH2+]CCN1Cc1cccc2cccnc21 ZINC000085622229 179105793 /nfs/dbraw/zinc/10/57/93/179105793.db2.gz OSHZUEAFEVVTIC-ZDUSSCGKSA-N 1 0 255.365 2.419 10 0 CEAERO CCOCC[N@@H+]1C[C@H](c2ccccc2)NCC[C@@H]1C ZINC000085621199 179106012 /nfs/dbraw/zinc/10/60/12/179106012.db2.gz IQORQTNOVXHLGU-GOEBONIOSA-N 1 0 262.397 2.448 10 0 CEAERO Cc1cc(C[NH2+][C@H]2[C@H]3CCCO[C@@H]3C2(C)C)no1 ZINC000085675836 179112287 /nfs/dbraw/zinc/11/22/87/179112287.db2.gz OVSMLHXLSBIZHN-AGIUHOORSA-N 1 0 250.342 2.276 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]CCN(C)C2CC2)C12CCCC2 ZINC000085681237 179113731 /nfs/dbraw/zinc/11/37/31/179113731.db2.gz HSEFVRZUWGLDSB-LSDHHAIUSA-N 1 0 266.429 2.408 10 0 CEAERO CC(C)C[C@@H](CN(C)C)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085635098 179109318 /nfs/dbraw/zinc/10/93/18/179109318.db2.gz GAZGCZJUZIMFOE-XQLPTFJDSA-N 1 0 268.445 2.366 10 0 CEAERO Cc1cc([C@H]2[C@H]([NH3+])CCN2C)ccc1Br ZINC000085708660 179122874 /nfs/dbraw/zinc/12/28/74/179122874.db2.gz ZVAXKPRZSVSWNQ-NEPJUHHUSA-N 1 0 269.186 2.461 10 0 CEAERO Cc1cc([C@@H]2C[C@@]2(C[NH3+])CO)ccc1Br ZINC000085708574 179122951 /nfs/dbraw/zinc/12/29/51/179122951.db2.gz ZNKVEFFPHPXZFU-CMPLNLGQSA-N 1 0 270.170 2.182 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N1C[C@@H](C)Cc2ccccc21 ZINC000104004782 136553611 /nfs/dbraw/zinc/55/36/11/136553611.db2.gz LSOYRIRMNYGALI-QWHCGFSZSA-N 1 0 260.381 2.457 10 0 CEAERO [NH3+][C@H](CN1CC(=O)Nc2ccccc21)c1ccccc1 ZINC000111340076 136561375 /nfs/dbraw/zinc/56/13/75/136561375.db2.gz TVJJXRSIPZBINI-CYBMUJFWSA-N 1 0 267.332 2.145 10 0 CEAERO CN1CCN(CCCOC2CC[NH2+]CC2)c2ccccc21 ZINC000111804176 136564848 /nfs/dbraw/zinc/56/48/48/136564848.db2.gz XGZXFRRXCOTQCL-UHFFFAOYSA-N 1 0 289.423 2.102 10 0 CEAERO C[NH+](C)C(C)(C)[C@H](O)c1occc1Br ZINC000085735753 179134079 /nfs/dbraw/zinc/13/40/79/179134079.db2.gz MGOJPPMUJZEGER-SECBINFHSA-N 1 0 262.147 2.416 10 0 CEAERO CCOC(=O)c1cccnc1NC[C@]1(C)CCC[NH2+]C1 ZINC000129362065 365851305 /nfs/dbraw/zinc/85/13/05/365851305.db2.gz UGPNIQXUDSQGGB-OAHLLOKOSA-N 1 0 277.368 2.060 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@@H]1CCc2cc(F)ccc21 ZINC000236914158 370653160 /nfs/dbraw/zinc/65/31/60/370653160.db2.gz SETZTOJYQOZNAO-QWHCGFSZSA-N 1 0 250.317 2.057 10 0 CEAERO C[NH2+][C@@H](Cc1ccc(Br)cc1F)CN(C)C ZINC000085799092 179172890 /nfs/dbraw/zinc/17/28/90/179172890.db2.gz OSTXYQCSESTWLH-NSHDSACASA-N 1 0 289.192 2.280 10 0 CEAERO C[NH2+]C1CCC(Nc2ncncc2Br)CC1 ZINC000085873557 179194185 /nfs/dbraw/zinc/19/41/85/179194185.db2.gz UJXQPGMSMMUULS-UHFFFAOYSA-N 1 0 285.189 2.182 10 0 CEAERO [NH3+][C@@]1(C(=O)N2CCC[C@H]2c2cccc(Cl)c2)CCOC1 ZINC000085877819 179195118 /nfs/dbraw/zinc/19/51/18/179195118.db2.gz HFHQZJRUGBFHBD-ZFWWWQNUSA-N 1 0 294.782 2.121 10 0 CEAERO C[C@@H](C[NH3+])[C@](C)(O)c1ccccc1Br ZINC000085899475 179196166 /nfs/dbraw/zinc/19/61/66/179196166.db2.gz SUGDBXXEFOLVBC-KWQFWETISA-N 1 0 258.159 2.251 10 0 CEAERO C[C@H](C[NH3+])[C@@](C)(O)c1cccc(Br)c1 ZINC000085899443 179196451 /nfs/dbraw/zinc/19/64/51/179196451.db2.gz OKJBQZIZRGQIMH-LDYMZIIASA-N 1 0 258.159 2.251 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1CNC(=O)c1cc(F)c(F)c(F)c1 ZINC000085964681 179205230 /nfs/dbraw/zinc/20/52/30/179205230.db2.gz LMLIEGMPDMGHBA-PRHODGIISA-N 1 0 286.297 2.351 10 0 CEAERO CCOc1ccccc1C(=O)NC[C@H]1CCCC[C@H]1[NH3+] ZINC000085964957 179205370 /nfs/dbraw/zinc/20/53/70/179205370.db2.gz YBGSBQFXLGQIBZ-TZMCWYRMSA-N 1 0 276.380 2.333 10 0 CEAERO CO[C@H](C(=O)NC[C@@H]1CCCC[C@@H]1[NH3+])c1ccccc1 ZINC000085965731 179205562 /nfs/dbraw/zinc/20/55/62/179205562.db2.gz NCBQEQJECLHLJY-KKUMJFAQSA-N 1 0 276.380 2.008 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1CNC(=O)Nc1ccc(F)cc1 ZINC000085970205 179206734 /nfs/dbraw/zinc/20/67/34/179206734.db2.gz VSTAIDRLTVBLND-GWCFXTLKSA-N 1 0 265.332 2.465 10 0 CEAERO CCOc1cc(C[NH2+]C[C@H]2CCCC[C@H]2O)ccc1O ZINC000085972865 179207147 /nfs/dbraw/zinc/20/71/47/179207147.db2.gz NUMLBFCNCHHSPE-ZIAGYGMSSA-N 1 0 279.380 2.432 10 0 CEAERO N[C@]1(C[NH+]2CCC(Cc3ccccc3)CC2)CCOC1 ZINC000085914642 179197997 /nfs/dbraw/zinc/19/79/97/179197997.db2.gz ROCJNAOHYKARIT-KRWDZBQOSA-N 1 0 274.408 2.059 10 0 CEAERO C[C@H]([NH3+])[C@H](CO)Oc1ccc(-c2ccccc2)cc1 ZINC000085919590 179199844 /nfs/dbraw/zinc/19/98/44/179199844.db2.gz ILMRGPFJQDHTJY-LRDDRELGSA-N 1 0 257.333 2.441 10 0 CEAERO CCC[NH2+][C@@H](CCO)COc1ccccc1OCC ZINC000085924238 179201367 /nfs/dbraw/zinc/20/13/67/179201367.db2.gz CKJVZDSRITUHFV-ZDUSSCGKSA-N 1 0 267.369 2.215 10 0 CEAERO CC[NH2+][C@@H](CCO)CN1CCC2(CCCCC2)CC1 ZINC000085922769 179201493 /nfs/dbraw/zinc/20/14/93/179201493.db2.gz VVTIYDWKLLKJRM-HNNXBMFYSA-N 1 0 268.445 2.393 10 0 CEAERO CCC[C@H]1CCCN(C[C@@H](CCO)[NH2+]CC)CC1 ZINC000085923189 179201627 /nfs/dbraw/zinc/20/16/27/179201627.db2.gz NKSWAILRCNNMMQ-LSDHHAIUSA-N 1 0 256.434 2.249 10 0 CEAERO C[NH2+][C@@H](CCO)C[S@](=O)c1ccc(C(C)(C)C)cc1 ZINC000085927493 179202179 /nfs/dbraw/zinc/20/21/79/179202179.db2.gz WQEIBJLMGDZVDY-ORAYPTAESA-N 1 0 283.437 2.062 10 0 CEAERO C[C@@H](O)CC[NH2+]Cc1cccc(NC(=O)C(F)(F)F)c1 ZINC000085983666 179210771 /nfs/dbraw/zinc/21/07/71/179210771.db2.gz PXRDCSAZVIIBCC-SECBINFHSA-N 1 0 290.285 2.048 10 0 CEAERO O[C@H]1CCCC[C@H]1C[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000085986892 179212160 /nfs/dbraw/zinc/21/21/60/179212160.db2.gz WBQGARHKLBDZFR-XIRDDKMYSA-N 1 0 275.392 2.441 10 0 CEAERO CC[NH2+][C@H]1CC[C@@H](S(=O)(=O)C2CCCC2)[C@@H]1C ZINC000086042030 179222892 /nfs/dbraw/zinc/22/28/92/179222892.db2.gz JAJKHDZLBAWRKA-KGYLQXTDSA-N 1 0 259.415 2.120 10 0 CEAERO C[C@H]1[C@H](NC(=O)[C@@H](C[NH3+])c2ccccc2)CC[C@@H]1C ZINC000086073943 179225029 /nfs/dbraw/zinc/22/50/29/179225029.db2.gz VHEUFQAMLORGDK-MYZSUADSSA-N 1 0 260.381 2.280 10 0 CEAERO C[C@H]1[C@H](NC(=O)[C@H]([NH3+])Cc2ccccc2)CC[C@@H]1C ZINC000086075462 179225249 /nfs/dbraw/zinc/22/52/49/179225249.db2.gz LUTGZTCGWDFWGE-CTHBEMJXSA-N 1 0 260.381 2.107 10 0 CEAERO C[C@@H]1CC[C@@H]([NH2+]CC(=O)NC2CCCCC2)[C@@H]1C ZINC000086076175 179225597 /nfs/dbraw/zinc/22/55/97/179225597.db2.gz GWUVGDBIMDPMGW-YRGRVCCFSA-N 1 0 252.402 2.460 10 0 CEAERO [NH3+][C@H](c1csc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000086020180 179218212 /nfs/dbraw/zinc/21/82/12/179218212.db2.gz RMAPDAHBOYUOLE-ZANVPECISA-N 1 0 281.402 2.336 10 0 CEAERO CCC[NH2+][C@H](Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000086026310 179220239 /nfs/dbraw/zinc/22/02/39/179220239.db2.gz ZFKBUZHHUUCEJM-DZGCQCFKSA-N 1 0 299.411 2.171 10 0 CEAERO CCCN(Cc1cccc(NN)[nH+]1)CC(F)(F)F ZINC000086115829 179234428 /nfs/dbraw/zinc/23/44/28/179234428.db2.gz QAEIUCABZFPTID-UHFFFAOYSA-N 1 0 262.279 2.142 10 0 CEAERO CCC[C@@H]1CN(CCc2ccccc2F)CC[NH2+]1 ZINC000086124336 179235633 /nfs/dbraw/zinc/23/56/33/179235633.db2.gz OSYGMIBATLCVDN-CQSZACIVSA-N 1 0 250.361 2.442 10 0 CEAERO c1cncc(CCN2CC[NH2+]C3(CCCCC3)C2)c1 ZINC000086141930 179236762 /nfs/dbraw/zinc/23/67/62/179236762.db2.gz SDRNUWRWWNQKIC-UHFFFAOYSA-N 1 0 259.397 2.232 10 0 CEAERO CC[C@@H]1CC[C@H](NC(=O)c2cnn(CCC[NH3+])c2C)[C@@H]1C ZINC000086082830 179228440 /nfs/dbraw/zinc/22/84/40/179228440.db2.gz VZJRCLGWEMKOKB-KYOSRNDESA-N 1 0 292.427 2.095 10 0 CEAERO CC[C@@H]1CC[C@@H](NC(=O)[C@@H]2CC23CC[NH2+]CC3)[C@@H]1C ZINC000086094485 179228848 /nfs/dbraw/zinc/22/88/48/179228848.db2.gz WTLMSSSSXSYCQA-YIYPIFLZSA-N 1 0 264.413 2.317 10 0 CEAERO CC[C@H]1CC[C@H](NC(=O)CC2CC[NH2+]CC2)[C@@H]1C ZINC000086094149 179228944 /nfs/dbraw/zinc/22/89/44/179228944.db2.gz FVROSXNYCAYMFC-XBFCOCLRSA-N 1 0 252.402 2.317 10 0 CEAERO CC[C@H]1CC[C@H](NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)[C@@H]1C ZINC000086094220 179229126 /nfs/dbraw/zinc/22/91/26/179229126.db2.gz ZQZSAEVCJLFUHF-BLFANLJRSA-N 1 0 292.345 2.469 10 0 CEAERO CC(C)C[C@H]1CN(C[C@@H]2Cc3ccccc3O2)CC[NH2+]1 ZINC000086147007 179239576 /nfs/dbraw/zinc/23/95/76/179239576.db2.gz DORZREJLWYATIG-HOTGVXAUSA-N 1 0 274.408 2.310 10 0 CEAERO Brc1ccccc1-c1noc(C2C[NH2+]C2)n1 ZINC000086194440 179248371 /nfs/dbraw/zinc/24/83/71/179248371.db2.gz RAVYRMJWFVVVJQ-UHFFFAOYSA-N 1 0 280.125 2.186 10 0 CEAERO CC(C)[C@@H]1C[NH2+]C2(CCCC2)CN1c1cnn(C)c1 ZINC000086218378 179249702 /nfs/dbraw/zinc/24/97/02/179249702.db2.gz JIFXPJBJBDFLRM-AWEZNQCLSA-N 1 0 262.401 2.167 10 0 CEAERO CCn1cc(N2CC(CC)(CC)[NH2+]C[C@@H]2C)cn1 ZINC000086218541 179249784 /nfs/dbraw/zinc/24/97/84/179249784.db2.gz ISXXEQXEFVUDBA-LBPRGKRZSA-N 1 0 250.390 2.260 10 0 CEAERO CC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1CCc1cccnc1 ZINC000086223196 179251390 /nfs/dbraw/zinc/25/13/90/179251390.db2.gz YQTLZEQNJQULJU-SJORKVTESA-N 1 0 273.424 2.477 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C2CC2)CN1CCc1cccnc1 ZINC000086223231 179251477 /nfs/dbraw/zinc/25/14/77/179251477.db2.gz KCWSFTHLYBJERE-HOTGVXAUSA-N 1 0 259.397 2.087 10 0 CEAERO CC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1CCc1ccncc1 ZINC000086223294 179251970 /nfs/dbraw/zinc/25/19/70/179251970.db2.gz BAMJICSBEQNPGN-SJORKVTESA-N 1 0 273.424 2.477 10 0 CEAERO [NH3+][C@@H]1CCO[C@@H]1c1ccc(F)c(Br)c1 ZINC000086249125 179255292 /nfs/dbraw/zinc/25/52/92/179255292.db2.gz KWSOPTRAZDPULB-NXEZZACHSA-N 1 0 260.106 2.377 10 0 CEAERO Cc1noc(CN2CC3(CCCC3)[NH2+]C[C@H]2C(C)C)n1 ZINC000086260348 179259074 /nfs/dbraw/zinc/25/90/74/179259074.db2.gz YGGJLGBLQKFHTC-ZDUSSCGKSA-N 1 0 278.400 2.121 10 0 CEAERO CC[C@H]1CN(Cc2nc(C)no2)[C@H](c2ccccc2)C[NH2+]1 ZINC000086260352 179259572 /nfs/dbraw/zinc/25/95/72/179259572.db2.gz WZFXGTPKCZIZFS-GJZGRUSLSA-N 1 0 286.379 2.303 10 0 CEAERO C[C@H]1C[NH2+]C(C)(C)CN1C[C@@H]1Cc2ccccc2O1 ZINC000086261712 179259766 /nfs/dbraw/zinc/25/97/66/179259766.db2.gz QHXBIOHGNJBGNU-JSGCOSHPSA-N 1 0 260.381 2.062 10 0 CEAERO CC[C@H]1CN[C@@H](C(C)(C)C)C[N@@H+]1C[C@@H](C)COC ZINC000086260942 179259848 /nfs/dbraw/zinc/25/98/48/179259848.db2.gz ZMPSTLFIUHJFNN-HZSPNIEDSA-N 1 0 256.434 2.367 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C(C)(C)C)CN1Cc1cnc(C)cn1 ZINC000086263066 179260274 /nfs/dbraw/zinc/26/02/74/179260274.db2.gz WFECDDSVWQMSBU-GJZGRUSLSA-N 1 0 276.428 2.384 10 0 CEAERO Cc1cc(CN2C[C@H](CC(C)C)[NH2+]C[C@@H]2C)on1 ZINC000086260405 179260373 /nfs/dbraw/zinc/26/03/73/179260373.db2.gz GVEKDCXITSSTGK-STQMWFEESA-N 1 0 251.374 2.191 10 0 CEAERO Cc1cccnc1CN1C[C@](C)(C2CC2)[NH2+]C[C@@H]1C ZINC000086264910 179260923 /nfs/dbraw/zinc/26/09/23/179260923.db2.gz RZLYBSHTUWEHAS-XJKSGUPXSA-N 1 0 259.397 2.352 10 0 CEAERO CCCN(c1nc(Br)cs1)C1C[NH2+]C1 ZINC000086291062 179265507 /nfs/dbraw/zinc/26/55/07/179265507.db2.gz ZZYBFFBGTMGWST-UHFFFAOYSA-N 1 0 276.203 2.094 10 0 CEAERO CC[C@@H]1CN[C@H](C(C)(C)C)C[N@@H+]1[C@@H]1CCCOC1 ZINC000086265165 179261646 /nfs/dbraw/zinc/26/16/46/179261646.db2.gz GFQWSDZFOZTCHQ-MCIONIFRSA-N 1 0 254.418 2.264 10 0 CEAERO CC[C@H]1C[NH2+][C@](C)(CC)CN1Cc1cscn1 ZINC000086265462 179261782 /nfs/dbraw/zinc/26/17/82/179261782.db2.gz WLABZZVBAQFNLG-QWHCGFSZSA-N 1 0 253.415 2.496 10 0 CEAERO CCn1cc(N2CCC[NH2+][C@H](C(C)(C)C)C2)cn1 ZINC000086287195 179264352 /nfs/dbraw/zinc/26/43/52/179264352.db2.gz BAEJVGOYRCRUES-ZDUSSCGKSA-N 1 0 250.390 2.117 10 0 CEAERO CC[C@H](C)[C@@H]1CN(CCc2cccnc2)CCC[NH2+]1 ZINC000086288724 179265013 /nfs/dbraw/zinc/26/50/13/179265013.db2.gz WWYDFTDHHZBWCU-HOCLYGCPSA-N 1 0 261.413 2.334 10 0 CEAERO [NH3+]C[C@@H](Nc1nc(Br)cs1)C1CC1 ZINC000086290976 179265680 /nfs/dbraw/zinc/26/56/80/179265680.db2.gz WWDWDLDIIVVZSG-ZCFIWIBFSA-N 1 0 262.176 2.055 10 0 CEAERO Cc1cc(CN2CCC[NH2+][C@@H](C(C)(C)C)C2)on1 ZINC000086292753 179266114 /nfs/dbraw/zinc/26/61/14/179266114.db2.gz BTTNFHQLCUNOPI-CYBMUJFWSA-N 1 0 251.374 2.193 10 0 CEAERO Brc1csc(OC2CC[NH2+]CC2)n1 ZINC000086291613 179266497 /nfs/dbraw/zinc/26/64/97/179266497.db2.gz NPGJRRIOJLZVFV-UHFFFAOYSA-N 1 0 263.160 2.036 10 0 CEAERO COc1ccc(CN2CCC[NH2+][C@@](C)(C3CC3)C2)cn1 ZINC000086296428 179267925 /nfs/dbraw/zinc/26/79/25/179267925.db2.gz ZCXPIHAIVKVDHV-MRXNPFEDSA-N 1 0 275.396 2.054 10 0 CEAERO CC[C@@]1(C)CN(CCc2nc(C)cs2)CCC[NH2+]1 ZINC000086296777 179268134 /nfs/dbraw/zinc/26/81/34/179268134.db2.gz KDJZNHBSNYCBKV-AWEZNQCLSA-N 1 0 267.442 2.458 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])c2cc(Cl)ccc2S(=O)(=O)[C@H]1C ZINC000086308932 179268438 /nfs/dbraw/zinc/26/84/38/179268438.db2.gz RZBWRKFETFZZLO-OKTBNZSVSA-N 1 0 259.758 2.152 10 0 CEAERO CC[C@H](C)[C@H]1CN(CCc2cscn2)CCC[NH2+]1 ZINC000086297897 179268573 /nfs/dbraw/zinc/26/85/73/179268573.db2.gz NRTCFLXQFXJFJN-GXTWGEPZSA-N 1 0 267.442 2.396 10 0 CEAERO CC1(C)CN(CCOC2CCCCC2)CCC[NH2+]1 ZINC000086298046 179268642 /nfs/dbraw/zinc/26/86/42/179268642.db2.gz OPTYVTQGIGUYGE-UHFFFAOYSA-N 1 0 254.418 2.410 10 0 CEAERO [NH3+]CCCN(C(=O)c1ccncc1F)C1CCCCC1 ZINC000086315807 179269060 /nfs/dbraw/zinc/26/90/60/179269060.db2.gz MCAODAZKVYASRV-UHFFFAOYSA-N 1 0 279.359 2.344 10 0 CEAERO COC(=O)CC[C@@H]([NH3+])Cc1ccc2ccccc2n1 ZINC000086317297 179269966 /nfs/dbraw/zinc/26/99/66/179269966.db2.gz MBNUMNOTFUZDNV-GFCCVEGCSA-N 1 0 258.321 2.058 10 0 CEAERO CCn1c(C)nnc1C[N@@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000336841606 365915310 /nfs/dbraw/zinc/91/53/10/365915310.db2.gz SDGRVNSATXCPOX-JSGCOSHPSA-N 1 0 280.416 2.122 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1c1nc2c(s1)CCCC2=O ZINC000086441739 179293799 /nfs/dbraw/zinc/29/37/99/179293799.db2.gz DEODYMQYAAPCFQ-SNVBAGLBSA-N 1 0 279.409 2.193 10 0 CEAERO C[NH2+][C@@H]1CCCc2sc(N(CCOC)C3CC3)nc21 ZINC000086443594 179294054 /nfs/dbraw/zinc/29/40/54/179294054.db2.gz KUBBFOJEWDVDFZ-LLVKDONJSA-N 1 0 281.425 2.355 10 0 CEAERO CC[C@@H]1C[N@@H+]([C@@H]2CCOC(C)(C)C2)[C@@H](CC)CN1 ZINC000086445029 179294450 /nfs/dbraw/zinc/29/44/50/179294450.db2.gz YCFNNBHZNGZIIH-HZSPNIEDSA-N 1 0 254.418 2.406 10 0 CEAERO O[C@H]1CCCc2sc(N3CC[C@H]([NH+]4CCCC4)C3)nc21 ZINC000086444786 179295098 /nfs/dbraw/zinc/29/50/98/179295098.db2.gz WTXHEETVVVNLEM-RYUDHWBXSA-N 1 0 293.436 2.187 10 0 CEAERO CC[C@@H]1C[N@@H+](C2CCC3(CC2)OCCO3)[C@@H](CC)CN1 ZINC000086445153 179295171 /nfs/dbraw/zinc/29/51/71/179295171.db2.gz RSTPQNJIIFSOBO-KGLIPLIRSA-N 1 0 282.428 2.135 10 0 CEAERO CC[C@H]1CN(C(=O)CCc2ccco2)[C@@H](CC)C[NH2+]1 ZINC000086447331 179295800 /nfs/dbraw/zinc/29/58/00/179295800.db2.gz HVLLWMJFWPWADI-STQMWFEESA-N 1 0 264.369 2.201 10 0 CEAERO Cc1ccc(-c2nc(CN3C[C@@H](C)[NH2+]C[C@@H]3C)no2)cc1 ZINC000086470574 179300741 /nfs/dbraw/zinc/30/07/41/179300741.db2.gz FMNFBRVEFSOKCG-OLZOCXBDSA-N 1 0 286.379 2.227 10 0 CEAERO CC[NH2+][C@H](C)Cc1nc([C@H]2Cc3ccccc32)no1 ZINC000086486453 179301536 /nfs/dbraw/zinc/30/15/36/179301536.db2.gz AXDSCOKVWIGUAZ-MFKMUULPSA-N 1 0 257.337 2.298 10 0 CEAERO Cn1ccnc1C[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000086486110 179301870 /nfs/dbraw/zinc/30/18/70/179301870.db2.gz WLTBQUNZMMAJSF-LLVKDONJSA-N 1 0 280.169 2.425 10 0 CEAERO C[NH2+][C@@H](Cc1cccnc1N)[C@@H]1Cc2ccccc21 ZINC000086488629 179302011 /nfs/dbraw/zinc/30/20/11/179302011.db2.gz FPWWZOKXLFEAKB-CABCVRRESA-N 1 0 253.349 2.134 10 0 CEAERO CCN(C1(C[NH3+])CCCCCC1)S(=O)(=O)CC1CC1 ZINC000086496415 179302451 /nfs/dbraw/zinc/30/24/51/179302451.db2.gz PDKJXARZSBLXRC-UHFFFAOYSA-N 1 0 288.457 2.100 10 0 CEAERO CC[C@@H]1CN(Cc2c(C)nn(C)c2Cl)[C@@H](CC)C[NH2+]1 ZINC000086463759 179296278 /nfs/dbraw/zinc/29/62/78/179296278.db2.gz DQEGOSZDZHCNMN-NEPJUHHUSA-N 1 0 284.835 2.344 10 0 CEAERO CCN1C(=[NH2+])NC[C@@H]1c1cccc(Br)c1 ZINC000086459593 179296529 /nfs/dbraw/zinc/29/65/29/179296529.db2.gz YBXFUQIAQFFJFC-SNVBAGLBSA-N 1 0 268.158 2.140 10 0 CEAERO C[C@@H]1CN(Cc2ccc3c(c2)OCCCO3)[C@@H](C)C[NH2+]1 ZINC000086466679 179296980 /nfs/dbraw/zinc/29/69/80/179296980.db2.gz OSVKIXVEOBEXSC-OLZOCXBDSA-N 1 0 276.380 2.030 10 0 CEAERO CC[C@@H]1CN(Cc2noc(-c3ccco3)n2)[C@@H](CC)C[NH2+]1 ZINC000086465131 179297113 /nfs/dbraw/zinc/29/71/13/179297113.db2.gz JKDIZOPCULHHCR-NEPJUHHUSA-N 1 0 290.367 2.292 10 0 CEAERO CO[C@@H](C)[C@@H]([NH3+])Cc1sccc1Br ZINC000086575831 179308551 /nfs/dbraw/zinc/30/85/51/179308551.db2.gz UOOOTHRVOSBPDK-XPUUQOCRSA-N 1 0 264.188 2.415 10 0 CEAERO CO[C@H](C)[C@@H]([NH3+])Cc1ccc(Br)cc1F ZINC000086575744 179308713 /nfs/dbraw/zinc/30/87/13/179308713.db2.gz FHVNSSGFSMROOC-HQJQHLMTSA-N 1 0 276.149 2.493 10 0 CEAERO CO[C@@H](C)[C@@H]([NH3+])Cc1ccc(F)cc1Br ZINC000086576154 179308756 /nfs/dbraw/zinc/30/87/56/179308756.db2.gz DOKWIUBYSHWDCV-CPCISQLKSA-N 1 0 276.149 2.493 10 0 CEAERO COc1ccc([C@@H](O)c2c[nH+]ccc2N)cc1Cl ZINC000086596265 179310934 /nfs/dbraw/zinc/31/09/34/179310934.db2.gz ZERNREBDQBRFHS-CYBMUJFWSA-N 1 0 264.712 2.408 10 0 CEAERO COC(=O)[C@](C)([NH3+])C[C@H](C)Sc1nc(C)c(C)c(C)n1 ZINC000086644718 179315892 /nfs/dbraw/zinc/31/58/92/179315892.db2.gz IOLBJJYJUUJIRM-RMLUDKJBSA-N 1 0 297.424 2.163 10 0 CEAERO CCCn1c2ccc(C[NH3+])cc2nc1C(C)(C)CO ZINC000086641288 179315168 /nfs/dbraw/zinc/31/51/68/179315168.db2.gz ISPOVPMUXJOGDD-UHFFFAOYSA-N 1 0 261.369 2.175 10 0 CEAERO C[C@H]1C[NH+]=C(NCc2ccc3c(c2)OCO3)SC1 ZINC000086633446 179315331 /nfs/dbraw/zinc/31/53/31/179315331.db2.gz FWPGQEGDVGTKCG-VIFPVBQESA-N 1 0 264.350 2.244 10 0 CEAERO Clc1cnc(Cl)nc1NCC[NH+]1CCCC1 ZINC000086622123 179311665 /nfs/dbraw/zinc/31/16/65/179311665.db2.gz ZVQTUKBEZUMTIZ-UHFFFAOYSA-N 1 0 261.156 2.291 10 0 CEAERO OC1CC(C[NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000086694697 179320610 /nfs/dbraw/zinc/32/06/10/179320610.db2.gz CEGJKQOLTYQALZ-UHFFFAOYSA-N 1 0 288.160 2.449 10 0 CEAERO CC[NH2+]Cc1csc(I)c1 ZINC000086688862 179321162 /nfs/dbraw/zinc/32/11/62/179321162.db2.gz OSJXPKVYMGNNSN-UHFFFAOYSA-N 1 0 267.135 2.462 10 0 CEAERO CC1CCC([NH2+][C@@H]2CCC[C@@H]2S(C)(=O)=O)CC1 ZINC000086670425 179317347 /nfs/dbraw/zinc/31/73/47/179317347.db2.gz SGPLGRGZCABPCE-TUUUFIMRSA-N 1 0 259.415 2.120 10 0 CEAERO CS(=O)(=O)[C@H]1CCC[C@H]1[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000086673602 179317690 /nfs/dbraw/zinc/31/76/90/179317690.db2.gz ZBLWUYVUZZCMQC-JMZCLIQJSA-N 1 0 297.464 2.366 10 0 CEAERO CS(=O)(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000086671364 179317946 /nfs/dbraw/zinc/31/79/46/179317946.db2.gz OYPASWXGZRZSRW-QLFBSQMISA-N 1 0 279.405 2.229 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1S(C)(=O)=O)c1cccs1 ZINC000086671753 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CC(C)CCNC(=O)CO[C@@]1(C[NH3+])CCC[C@H](C)C1 ZINC000086713094 179322778 /nfs/dbraw/zinc/32/27/78/179322778.db2.gz BKRSFYUOOQVMPO-ZFWWWQNUSA-N 1 0 270.417 2.073 10 0 CEAERO CC[C@@](C)([NH3+])C(=O)NCc1ccccc1Br ZINC000086804941 179338086 /nfs/dbraw/zinc/33/80/86/179338086.db2.gz CKJMDPYIAFUWJE-GFCCVEGCSA-N 1 0 285.185 2.193 10 0 CEAERO CCC1(C(=O)[O-])CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000086789143 179334273 /nfs/dbraw/zinc/33/42/73/179334273.db2.gz YGUUZCUFDREYHX-PBWFPOADSA-N 1 0 280.412 2.188 10 0 CEAERO CCC[N@@H+]1CCC[C@@](NCC2CC2)(C(=O)OCC)CC1 ZINC000086850354 179357835 /nfs/dbraw/zinc/35/78/35/179357835.db2.gz QLCIFCAQWUVLDQ-INIZCTEOSA-N 1 0 282.428 2.184 10 0 CEAERO CC[N@@H+]1CCC[C@]([NH2+]C2CCCCC2)(C(=O)[O-])CC1 ZINC000086850406 179357839 /nfs/dbraw/zinc/35/78/39/179357839.db2.gz AEJHVSLLTAEYCF-OAHLLOKOSA-N 1 0 268.401 2.238 10 0 CEAERO CCCN[C@]1(C(=O)OCC)CCC[N@@H+](C(C)C)CC1 ZINC000086849839 179357606 /nfs/dbraw/zinc/35/76/06/179357606.db2.gz OPIVPUICOQQWTM-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2ccc3oc(=O)[nH]c3c2)CC1 ZINC000086840012 179351564 /nfs/dbraw/zinc/35/15/64/179351564.db2.gz BYABLHUHAJDJHH-LLVKDONJSA-N 1 0 275.352 2.407 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2cccc(C(N)=O)c2)CC1 ZINC000086836278 179352018 /nfs/dbraw/zinc/35/20/18/179352018.db2.gz VGIJUMNHILCEME-CYBMUJFWSA-N 1 0 261.369 2.072 10 0 CEAERO CC[N@@H+]1CCC[C@H](NCc2cccnc2OC)CC1 ZINC000086840791 179353056 /nfs/dbraw/zinc/35/30/56/179353056.db2.gz SJSOXMSBPQJZTF-AWEZNQCLSA-N 1 0 263.385 2.054 10 0 CEAERO CCC[N@@H+]1CCC[C@H](Nc2ccc(=O)n(C)c2)CC1 ZINC000086841726 179353746 /nfs/dbraw/zinc/35/37/46/179353746.db2.gz WMCXGQMKZOBLDD-ZDUSSCGKSA-N 1 0 263.385 2.062 10 0 CEAERO CCCn1cc([C@]2(O)CCC[N@@H+](C(C)C)CC2)cn1 ZINC000086867766 179360753 /nfs/dbraw/zinc/36/07/53/179360753.db2.gz NVRRGIPJDFSKAG-HNNXBMFYSA-N 1 0 265.401 2.375 10 0 CEAERO CCC[C@](C)([NH2+][C@H]1CCC[N@H+](CC)CC1)C(=O)[O-] ZINC000086868640 179361679 /nfs/dbraw/zinc/36/16/79/179361679.db2.gz JSZHDUFNWNITQX-JSGCOSHPSA-N 1 0 256.390 2.094 10 0 CEAERO CC[C@H](C)[N@H+](CC(=O)[O-])[C@@H]1CCC[NH+](CC)CC1 ZINC000086868831 179361957 /nfs/dbraw/zinc/36/19/57/179361957.db2.gz YPTWOYNAZMDOSS-QWHCGFSZSA-N 1 0 256.390 2.046 10 0 CEAERO CC[N@@H+]1CCC[C@@H]([NH+]2CCC[C@](CC)(C(=O)[O-])C2)CC1 ZINC000086869143 179362837 /nfs/dbraw/zinc/36/28/37/179362837.db2.gz NZUQCVBWPCTKAJ-ZBFHGGJFSA-N 1 0 282.428 2.438 10 0 CEAERO COc1ccc(OC)c([C@@]2([NH3+])CCCOCC2)c1 ZINC000086870396 179363636 /nfs/dbraw/zinc/36/36/36/179363636.db2.gz YKXLPQJDAUSYQM-CQSZACIVSA-N 1 0 251.326 2.058 10 0 CEAERO COc1ccc([C@]2([NH3+])CCCOCC2)cc1OC ZINC000086870421 179363652 /nfs/dbraw/zinc/36/36/52/179363652.db2.gz YISMJNPXFIQHDX-AWEZNQCLSA-N 1 0 251.326 2.058 10 0 CEAERO CC[C@H](C)[NH2+][C@@]1(C(=O)[O-])CCC[N@@H+](C(C)C)CC1 ZINC000086850485 179358183 /nfs/dbraw/zinc/35/81/83/179358183.db2.gz KEVBEDFKHRUWCV-JSGCOSHPSA-N 1 0 256.390 2.092 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH3+])c1ccc(F)cc1 ZINC000086978466 179372464 /nfs/dbraw/zinc/37/24/64/179372464.db2.gz YBOCAESUCJPSNW-LBPRGKRZSA-N 1 0 259.346 2.040 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH2+]C)c1ccccc1OC ZINC000086978363 179372614 /nfs/dbraw/zinc/37/26/14/179372614.db2.gz YZRIAMSQQQDMJV-CYBMUJFWSA-N 1 0 285.409 2.171 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH2+]C)c1ccc(F)cc1 ZINC000086978474 179372742 /nfs/dbraw/zinc/37/27/42/179372742.db2.gz CKOHIADEZXWTLC-ZDUSSCGKSA-N 1 0 273.373 2.301 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH3+])Cc1ccccc1C ZINC000086979117 179372763 /nfs/dbraw/zinc/37/27/63/179372763.db2.gz OBOWNHXDCOOSKT-AWEZNQCLSA-N 1 0 269.410 2.080 10 0 CEAERO CCC[NH2+][C@H](CCCS(=O)(=O)CC)C[C@H]1CCCO1 ZINC000086978860 179372768 /nfs/dbraw/zinc/37/27/68/179372768.db2.gz UIYWVCAQZHKOPC-ZIAGYGMSSA-N 1 0 291.457 2.139 10 0 CEAERO CCS(=O)(=O)CCC[C@@H](Cc1ccc(OC)cc1)[NH2+]C ZINC000086979027 179372785 /nfs/dbraw/zinc/37/27/85/179372785.db2.gz UVTSBVNKLLTXQM-AWEZNQCLSA-N 1 0 299.436 2.041 10 0 CEAERO CCS(=O)(=O)CCC[C@H](Cc1cccs1)[NH2+]C ZINC000086979320 179373002 /nfs/dbraw/zinc/37/30/02/179373002.db2.gz PSQABFYITTVDRV-LLVKDONJSA-N 1 0 275.439 2.094 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH3+])c1cc(F)ccc1F ZINC000086979685 179373029 /nfs/dbraw/zinc/37/30/29/179373029.db2.gz YXCJHWRSGNSJBK-GFCCVEGCSA-N 1 0 277.336 2.180 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH2+]C)c1cc(F)ccc1F ZINC000086979688 179373492 /nfs/dbraw/zinc/37/34/92/179373492.db2.gz ROGQANVOZSRYCC-CYBMUJFWSA-N 1 0 291.363 2.440 10 0 CEAERO C[C@@H]1CN([C@@]2(C[NH3+])CCC[C@H](C)CC2)C[C@H](C)O1 ZINC000086890387 179366234 /nfs/dbraw/zinc/36/62/34/179366234.db2.gz MFLGRBFCQNMDJT-XQLPTFJDSA-N 1 0 254.418 2.393 10 0 CEAERO CCOC(=O)[C@@]1(N2CCC[NH2+]CC2)CCC[C@@H](C)CC1 ZINC000086891882 179366445 /nfs/dbraw/zinc/36/64/45/179366445.db2.gz RWJDIKZZKDYZMM-GDBMZVCRSA-N 1 0 282.428 2.184 10 0 CEAERO CCOC(=O)[C@]1(N2CC[NH2+]CC2)CCCC(C)(C)CC1 ZINC000086915893 179366929 /nfs/dbraw/zinc/36/69/29/179366929.db2.gz HCGXCYLRRNHVTQ-INIZCTEOSA-N 1 0 282.428 2.184 10 0 CEAERO CC[C@@H]1CCC[C@@](C(=O)OC)(N2CCC[NH2+]CC2)CC1 ZINC000086915569 179367212 /nfs/dbraw/zinc/36/72/12/179367212.db2.gz LEZZCOSONMPSRY-GDBMZVCRSA-N 1 0 282.428 2.184 10 0 CEAERO C[C@H]1C[C@@](C[NH3+])(N(C)Cc2ccsc2)CS1 ZINC000086936657 179367995 /nfs/dbraw/zinc/36/79/95/179367995.db2.gz NVRGDRPJZJRFPN-JQWIXIFHSA-N 1 0 256.440 2.403 10 0 CEAERO CC(C)(C)[C@H]1CCC[C@@](C(N)=O)(N2CCC[NH2+]CC2)CC1 ZINC000086959769 179368444 /nfs/dbraw/zinc/36/84/44/179368444.db2.gz MMCSKCYXFJALDN-WMLDXEAASA-N 1 0 295.471 2.132 10 0 CEAERO CC(C)[C@@H]1CCC[C@]([NH2+]CC2CC2)(C(N)=O)CC1 ZINC000086949495 179368951 /nfs/dbraw/zinc/36/89/51/179368951.db2.gz IAYRRYJUAWGFLA-UKRRQHHQSA-N 1 0 252.402 2.446 10 0 CEAERO CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CN(C)CCN2C)CC1 ZINC000086947110 179369051 /nfs/dbraw/zinc/36/90/51/179369051.db2.gz FERHWOFKGDCUPL-BRWVUGGUSA-N 1 0 281.488 2.427 10 0 CEAERO COCCC[C@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000086963666 179369424 /nfs/dbraw/zinc/36/94/24/179369424.db2.gz FQSTZUNVYSNDTE-LBPRGKRZSA-N 1 0 251.326 2.274 10 0 CEAERO CCC[NH2+][C@H]1CCC[C@H]1c1nc(CCCOC)no1 ZINC000086971993 179370836 /nfs/dbraw/zinc/37/08/36/179370836.db2.gz QBOOFQVCPQCXFQ-NEPJUHHUSA-N 1 0 267.373 2.284 10 0 CEAERO CCS(=O)(=O)CCC[C@H]1CCCC[C@@H]([NH2+]C)C1 ZINC000086981742 179373768 /nfs/dbraw/zinc/37/37/68/179373768.db2.gz ZHOVGLMTIZTNHT-CHWSQXEVSA-N 1 0 261.431 2.370 10 0 CEAERO C[NH2+][C@@H](Cc1nccs1)[C@@H]1CSCCS1 ZINC000086984903 179373952 /nfs/dbraw/zinc/37/39/52/179373952.db2.gz JOAKLESPQUYJOB-IUCAKERBSA-N 1 0 260.453 2.122 10 0 CEAERO c1cc(N2CCOCC2)cc2c1CC[C@]21CCC[NH2+]1 ZINC000066347881 362862609 /nfs/dbraw/zinc/86/26/09/362862609.db2.gz MYIMPBQYUULJDZ-MRXNPFEDSA-N 1 0 258.365 2.048 10 0 CEAERO CC(C)(O)C[NH2+]Cc1ccn(C2CCCCC2)n1 ZINC000087018182 179380337 /nfs/dbraw/zinc/38/03/37/179380337.db2.gz UPQMYBARBSWCQY-UHFFFAOYSA-N 1 0 251.374 2.249 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]CC1(O)CCCCC1 ZINC000087017430 179380602 /nfs/dbraw/zinc/38/06/02/179380602.db2.gz IKBOQNRPBMIOJD-LLVKDONJSA-N 1 0 265.401 2.383 10 0 CEAERO CCC(O)(CC)C[NH2+]C[C@@H](O)c1ccc(F)c(F)c1 ZINC000087028565 179382052 /nfs/dbraw/zinc/38/20/52/179382052.db2.gz AHPGNTXPGMDYBY-CYBMUJFWSA-N 1 0 273.323 2.139 10 0 CEAERO CCC(O)(CC)C[NH2+]C[C@H](O)COc1ccc(C)cc1C ZINC000087028613 179381631 /nfs/dbraw/zinc/38/16/31/179381631.db2.gz FEXCUBMDSCFPOY-HNNXBMFYSA-N 1 0 295.423 2.184 10 0 CEAERO CC[C@](C)(O)CNC(=O)CC[C@H](CC[NH3+])C(C)(C)C ZINC000087027122 179381813 /nfs/dbraw/zinc/38/18/13/179381813.db2.gz JTXJGRAGVHDAMI-DOMZBBRYSA-N 1 0 272.433 2.055 10 0 CEAERO [NH3+][C@H](CCC(=O)NCC1(O)CCCCC1)c1ccccc1 ZINC000087027547 179381874 /nfs/dbraw/zinc/38/18/74/179381874.db2.gz ZBHCQJOJBRINRV-OAHLLOKOSA-N 1 0 290.407 2.278 10 0 CEAERO C[NH2+][C@H](c1cnccc1C)[C@H]1CSCCS1 ZINC000086984802 179374191 /nfs/dbraw/zinc/37/41/91/179374191.db2.gz LOJMBSYCWGOIFC-VXGBXAGGSA-N 1 0 254.424 2.499 10 0 CEAERO CC[NH2+][C@H](CCC(F)(F)F)[C@@H]1CSCCO1 ZINC000086989221 179374743 /nfs/dbraw/zinc/37/47/43/179374743.db2.gz GCUIZJKUVCUXBK-BDAKNGLRSA-N 1 0 257.321 2.439 10 0 CEAERO CCOC(=O)CC[C@@H]([NH3+])Cc1ccc(OC)c(F)c1 ZINC000086994402 179376364 /nfs/dbraw/zinc/37/63/64/179376364.db2.gz AHICPGZJOWPWFC-LLVKDONJSA-N 1 0 269.316 2.047 10 0 CEAERO COc1ccc([C@@H]2[C@@H]([NH3+])CC(=O)N2C(C)(C)C)cc1F ZINC000086995275 179376388 /nfs/dbraw/zinc/37/63/88/179376388.db2.gz KEXVHBIRTFJPMA-SMDDNHRTSA-N 1 0 280.343 2.234 10 0 CEAERO CC[C@]1(C)C[NH2+]C[C@@H](c2nc3ccccc3n2C)O1 ZINC000087006741 179378454 /nfs/dbraw/zinc/37/84/54/179378454.db2.gz JDDFFPVPCMYOEC-DZGCQCFKSA-N 1 0 259.353 2.403 10 0 CEAERO O[C@@H](C[NH2+]CC1(O)CCCCC1)c1cc(F)ccc1F ZINC000087029213 179382538 /nfs/dbraw/zinc/38/25/38/179382538.db2.gz HLJOHLCZLMBEFK-AWEZNQCLSA-N 1 0 285.334 2.283 10 0 CEAERO COCC[NH2+]C[C@H](C)OCc1cccc(Cl)c1 ZINC000087096549 179394240 /nfs/dbraw/zinc/39/42/40/179394240.db2.gz KBNIYTGAICGDEH-NSHDSACASA-N 1 0 257.761 2.481 10 0 CEAERO CCCSC[C@H](CCCS(=O)(=O)CC)[NH2+]CC ZINC000087107656 179395202 /nfs/dbraw/zinc/39/52/02/179395202.db2.gz MKAZMYKNLVPURF-LBPRGKRZSA-N 1 0 281.487 2.323 10 0 CEAERO CCC1CCC(O)(C[NH2+]Cc2ccnc(C)n2)CC1 ZINC000087061409 179389479 /nfs/dbraw/zinc/38/94/79/179389479.db2.gz LVDIRLHIWSTRMX-UHFFFAOYSA-N 1 0 263.385 2.206 10 0 CEAERO C[C@H]([NH2+]CC1(O)CCC(C)CC1)C(=O)N1CCCCCC1 ZINC000087062523 179389523 /nfs/dbraw/zinc/38/95/23/179389523.db2.gz ZOCGHRKAKPGZDX-CKDBGZEDSA-N 1 0 296.455 2.308 10 0 CEAERO C[C@H]([NH2+]CC1(O)CCC(C)(C)CC1)C(=O)NC(C)(C)C ZINC000087063703 179390004 /nfs/dbraw/zinc/39/00/04/179390004.db2.gz GMXRGKUYFFHXBJ-LBPRGKRZSA-N 1 0 284.444 2.211 10 0 CEAERO CCC[NH2+][C@@H]1CCCN(CC2(O)CCC(C)(C)CC2)C1=O ZINC000087071276 179391517 /nfs/dbraw/zinc/39/15/17/179391517.db2.gz FLFKLETUXFVCKG-CQSZACIVSA-N 1 0 296.455 2.308 10 0 CEAERO O=C(C[NH2+]CC1(O)CCCCCC1)Nc1cccc(F)c1 ZINC000087089237 179393643 /nfs/dbraw/zinc/39/36/43/179393643.db2.gz NMNIIOFEXSAIGG-UHFFFAOYSA-N 1 0 294.370 2.439 10 0 CEAERO Cc1nn(C)c(OCc2ccc(Cl)cc2)c1C(N)=[NH2+] ZINC000087094201 179394181 /nfs/dbraw/zinc/39/41/81/179394181.db2.gz FBAVHXRWNNEXEW-UHFFFAOYSA-N 1 0 278.743 2.245 10 0 CEAERO CCn1cc(C[C@H](CSCC(C)C)[NH2+]C)cn1 ZINC000087123224 179396471 /nfs/dbraw/zinc/39/64/71/179396471.db2.gz TWXCUWIHPDIIAA-CYBMUJFWSA-N 1 0 255.431 2.423 10 0 CEAERO CC(C)CSCc1noc(C2CC[NH2+]CC2)n1 ZINC000087120933 179396479 /nfs/dbraw/zinc/39/64/79/179396479.db2.gz UFANMHMUJAZTLA-UHFFFAOYSA-N 1 0 255.387 2.426 10 0 CEAERO CC[NH+]1CCC(O)(Cc2ncc(C)c(OC)c2C)CC1 ZINC000087165793 179398505 /nfs/dbraw/zinc/39/85/05/179398505.db2.gz XPYQEPAJAJVOQP-UHFFFAOYSA-N 1 0 278.396 2.096 10 0 CEAERO CC[NH2+]Cc1cc(=O)[nH]c(CSc2ccccc2)n1 ZINC000087163493 179398786 /nfs/dbraw/zinc/39/87/86/179398786.db2.gz WYLSLZBJDGTFHI-UHFFFAOYSA-N 1 0 275.377 2.172 10 0 CEAERO C[N@@H+]1CCC[C@](O)(Cc2cccc(F)c2F)CC1 ZINC000087186254 179399709 /nfs/dbraw/zinc/39/97/09/179399709.db2.gz DLJWMZSCPXFQKO-CQSZACIVSA-N 1 0 255.308 2.354 10 0 CEAERO CCOC[C@H]([NH2+]C)c1cncc(Br)c1 ZINC000087281840 179408182 /nfs/dbraw/zinc/40/81/82/179408182.db2.gz DMYOIWGCCWIFFN-JTQLQIEISA-N 1 0 259.147 2.141 10 0 CEAERO C[C@@H](O)[C@H](C)Oc1c(Br)cccc1C[NH3+] ZINC000087125545 179395850 /nfs/dbraw/zinc/39/58/50/179395850.db2.gz IZFCOBCRLXHSMA-SFYZADRCSA-N 1 0 274.158 2.056 10 0 CEAERO CC(C)C[NH2+]Cc1cc(=O)[nH]c(CSCC(C)C)n1 ZINC000087126399 179396380 /nfs/dbraw/zinc/39/63/80/179396380.db2.gz BFNZYGZDHXORTN-UHFFFAOYSA-N 1 0 283.441 2.405 10 0 CEAERO COc1cc(OC)cc(-c2cnc(CCC[NH3+])o2)c1 ZINC000087328397 179413187 /nfs/dbraw/zinc/41/31/87/179413187.db2.gz VWRPQKGIEDQAII-UHFFFAOYSA-N 1 0 262.309 2.250 10 0 CEAERO COc1cccc([C@@H](O)[C@@H](C[NH3+])c2ccccc2)c1 ZINC000087349842 179415200 /nfs/dbraw/zinc/41/52/00/179415200.db2.gz ABIDPOKNCPYWQE-JKSUJKDBSA-N 1 0 257.333 2.471 10 0 CEAERO COc1ccc([C@@H](O)[C@@H](C[NH3+])CC(C)C)c(OC)c1 ZINC000087379051 179417733 /nfs/dbraw/zinc/41/77/33/179417733.db2.gz SSOFOAUBURXITE-ABAIWWIYSA-N 1 0 267.369 2.358 10 0 CEAERO CCc1cc2c(ncnc2N[C@H](C[NH3+])C2CC2)s1 ZINC000087384446 179418691 /nfs/dbraw/zinc/41/86/91/179418691.db2.gz JLEKZUCVWZUFMF-LLVKDONJSA-N 1 0 262.382 2.403 10 0 CEAERO CCC[C@H](C[NH3+])NC(=O)Cc1c(F)cccc1Cl ZINC000087387110 179419218 /nfs/dbraw/zinc/41/92/18/179419218.db2.gz OMVOYUOUJJUICT-SECBINFHSA-N 1 0 272.751 2.265 10 0 CEAERO CCC[C@@H](C[NH3+])N1C(=O)CC2(CCCCC2)CC1=O ZINC000087406257 179420044 /nfs/dbraw/zinc/42/00/44/179420044.db2.gz GFPMCYABDYJANZ-LBPRGKRZSA-N 1 0 266.385 2.213 10 0 CEAERO CCC[NH2+]C1CCC(c2nc(-c3cnn(C)c3)no2)CC1 ZINC000087427062 179424470 /nfs/dbraw/zinc/42/44/70/179424470.db2.gz IXYQAUQZCQTXNG-UHFFFAOYSA-N 1 0 289.383 2.496 10 0 CEAERO C[C@H](CCNC(=O)N[C@@H](C)[C@H]1CCCO1)[NH+]1CCCCC1 ZINC000248450091 539636412 /nfs/dbraw/zinc/63/64/12/539636412.db2.gz IPGRWZJADWCBPS-QLFBSQMISA-N 1 0 297.443 2.118 10 0 CEAERO Cc1c([C@H](C)NC(=O)[C@H](C)CCC[C@@H](C)[NH3+])cnn1C ZINC000087685642 179470185 /nfs/dbraw/zinc/47/01/85/179470185.db2.gz LOMSQBJIZZKRFZ-UTUOFQBUSA-N 1 0 280.416 2.059 10 0 CEAERO CC(C)(CC[NH3+])CCC(=O)Nc1ccc(NC(N)=O)cc1 ZINC000087694192 179471155 /nfs/dbraw/zinc/47/11/55/179471155.db2.gz TZPDXZHRQFITBI-UHFFFAOYSA-N 1 0 292.383 2.271 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)N[C@H](C)Cc1ccsc1 ZINC000087533130 179442614 /nfs/dbraw/zinc/44/26/14/179442614.db2.gz NSVHWAJOUNCXOF-PWSUYJOCSA-N 1 0 254.399 2.170 10 0 CEAERO CC[NH2+][C@](C)(CC(=O)OCC)c1ccc(OC)cc1 ZINC000087548873 179444737 /nfs/dbraw/zinc/44/47/37/179444737.db2.gz GFTILCPWSYVZKM-OAHLLOKOSA-N 1 0 265.353 2.473 10 0 CEAERO C[NH2+]C1(CC(=O)N(C)C[C@H]2C[C@@H]2C)CCCCC1 ZINC000087577928 179449335 /nfs/dbraw/zinc/44/93/35/179449335.db2.gz LHQJOBGLBWPPMM-QWHCGFSZSA-N 1 0 252.402 2.413 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)NCc1cc(C)c(C)s1 ZINC000087578168 179450028 /nfs/dbraw/zinc/45/00/28/179450028.db2.gz NNTQVKHFGVYTNE-JTQLQIEISA-N 1 0 254.399 2.227 10 0 CEAERO CC(C)(CCCOc1ccc(S(C)(=O)=O)cc1)C(N)=[NH2+] ZINC000087610789 179454074 /nfs/dbraw/zinc/45/40/74/179454074.db2.gz ZOXRCMQGUSMNRE-UHFFFAOYSA-N 1 0 298.408 2.211 10 0 CEAERO c1ccc(C[N@@H+]2CCN[C@H](c3ccncc3)C2)cc1 ZINC000616631575 348541239 /nfs/dbraw/zinc/54/12/39/348541239.db2.gz CMEAGHLUTKCSAX-INIZCTEOSA-N 1 0 253.349 2.228 10 0 CEAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@H]1c1ccccc1N ZINC000616635097 348542281 /nfs/dbraw/zinc/54/22/81/348542281.db2.gz ABZXVXXDZQMUMF-ZDUSSCGKSA-N 1 0 277.368 2.150 10 0 CEAERO CC[N@@H+]1CCCO[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000616650062 348547813 /nfs/dbraw/zinc/54/78/13/348547813.db2.gz RVQJOFFDVNRGOM-GFCCVEGCSA-N 1 0 272.389 2.012 10 0 CEAERO COc1cccc([C@@H](C[NH2+][C@H](C)C(C)(C)O)N(C)C)c1 ZINC000087817214 179491615 /nfs/dbraw/zinc/49/16/15/179491615.db2.gz NEAZJZFKGITYSJ-IUODEOHRSA-N 1 0 280.412 2.047 10 0 CEAERO CCOC(=O)c1cccc([C@@H]2CCOCC[N@@H+]2C)c1 ZINC000616656142 348550090 /nfs/dbraw/zinc/55/00/90/348550090.db2.gz BONROUHYMRFCTR-AWEZNQCLSA-N 1 0 263.337 2.257 10 0 CEAERO [NH3+][C@H](Cc1ccc(Cl)c(Cl)c1)[C@@H]1COCCO1 ZINC000087857368 179502181 /nfs/dbraw/zinc/50/21/81/179502181.db2.gz CAULIKYVFRZAQQ-NEPJUHHUSA-N 1 0 276.163 2.279 10 0 CEAERO CC(C)(C)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000616572073 348524273 /nfs/dbraw/zinc/52/42/73/348524273.db2.gz UDPVVVSJGCEGNO-KGLIPLIRSA-N 1 0 278.371 2.434 10 0 CEAERO CC[NH2+][C@H](c1cnccc1N)[C@H]1COc2ccccc2O1 ZINC000087859931 179503652 /nfs/dbraw/zinc/50/36/52/179503652.db2.gz PELVUEAJMLPMET-HZPDHXFCSA-N 1 0 285.347 2.154 10 0 CEAERO CC(C)[N@@H+]1CCOC[C@@H](c2cccc3nnccc32)C1 ZINC000616597806 348529368 /nfs/dbraw/zinc/52/93/68/348529368.db2.gz LQPDAQDCQLMWBS-ZDUSSCGKSA-N 1 0 271.364 2.454 10 0 CEAERO CC(C)(C)[N@@H+]1CCCOC[C@@H]1c1cccc(C(N)=O)c1 ZINC000616599745 348530099 /nfs/dbraw/zinc/53/00/99/348530099.db2.gz OLBUYSQZBSZYFH-CQSZACIVSA-N 1 0 276.380 2.347 10 0 CEAERO CC[N@@H+]1CCCOC[C@@H]1c1cccc(NC(C)=O)c1 ZINC000616599341 348530237 /nfs/dbraw/zinc/53/02/37/348530237.db2.gz JROMREWRJPDFKI-OAHLLOKOSA-N 1 0 262.353 2.428 10 0 CEAERO CCCCN(CC)c1nc[nH+]c(NN)c1CCC ZINC000087881111 179509287 /nfs/dbraw/zinc/50/92/87/179509287.db2.gz KIPYKZAJYSPVFM-UHFFFAOYSA-N 1 0 251.378 2.341 10 0 CEAERO CC(C)(C)[N@@H+]1CCN[C@@H](c2cccc3nnccc32)C1 ZINC000616601544 348531068 /nfs/dbraw/zinc/53/10/68/348531068.db2.gz RBWNXWPOEGNJEN-OAHLLOKOSA-N 1 0 270.380 2.375 10 0 CEAERO CC(C)(C)OC(=O)NC[C@@H]1COCC[N@@H+](C(C)(C)C)C1 ZINC000616658937 348551099 /nfs/dbraw/zinc/55/10/99/348551099.db2.gz ADFKBSUCNYAREW-LBPRGKRZSA-N 1 0 286.416 2.258 10 0 CEAERO CC(C)(C)OC(=O)NCC[C@@H]1COCC[N@@H+]1C(C)(C)C ZINC000616603719 348531917 /nfs/dbraw/zinc/53/19/17/348531917.db2.gz ZWGAVBALDMQLCS-GFCCVEGCSA-N 1 0 286.416 2.401 10 0 CEAERO [NH3+]CCN1CCC[C@@H](c2ccnc3ccccc32)C1 ZINC000616609367 348533273 /nfs/dbraw/zinc/53/32/73/348533273.db2.gz SSJKIXHPPKVVAZ-CYBMUJFWSA-N 1 0 255.365 2.373 10 0 CEAERO CCn1cc([C@H]([NH3+])[C@H]2CCOc3ccccc32)cn1 ZINC000088019436 179536629 /nfs/dbraw/zinc/53/66/29/179536629.db2.gz MRDJPHLDAOFCFK-ZFWWWQNUSA-N 1 0 257.337 2.469 10 0 CEAERO C[NH2+][C@H](C)CCc1nc([C@@H]2COc3ccccc3C2)no1 ZINC000088043190 179538583 /nfs/dbraw/zinc/53/85/83/179538583.db2.gz TXPUQMUYUPCTII-YPMHNXCESA-N 1 0 287.363 2.329 10 0 CEAERO C[C@@H](CC[NH3+])[S@@](=O)Cc1cc(Br)cs1 ZINC000088087514 179546431 /nfs/dbraw/zinc/54/64/31/179546431.db2.gz XNOULMLXYVJGFY-JKYUHCHBSA-N 1 0 296.255 2.497 10 0 CEAERO C[C@H](C[NH3+])C[S@@](=O)Cc1sccc1Br ZINC000088089946 179547181 /nfs/dbraw/zinc/54/71/81/179547181.db2.gz IUXDSNKRJSEGTC-UOWDBTKRSA-N 1 0 296.255 2.354 10 0 CEAERO CCC[NH2+]C[C@@H](c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000088097959 179547332 /nfs/dbraw/zinc/54/73/32/179547332.db2.gz YIKDYFAGUCWGEM-GJZGRUSLSA-N 1 0 281.421 2.205 10 0 CEAERO CC(C)c1nsc(N2CCC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000087642773 539652462 /nfs/dbraw/zinc/65/24/62/539652462.db2.gz NGLNENWUEXKABL-ZJUUUORDSA-N 1 0 254.403 2.225 10 0 CEAERO C[C@@H](CC[NH3+])[S@@](=O)c1ccccc1Br ZINC000088144696 179555994 /nfs/dbraw/zinc/55/59/94/179555994.db2.gz MRLPRXMICBYTTI-RTHLEPHNSA-N 1 0 276.199 2.294 10 0 CEAERO C[NH2+]CCCc1nc(-c2cc(C)c(O)c(C)c2)no1 ZINC000088153249 179558434 /nfs/dbraw/zinc/55/84/34/179558434.db2.gz KRCMJJZEEKZRLW-UHFFFAOYSA-N 1 0 261.325 2.211 10 0 CEAERO Cc1cc(C(N)=[NH2+])cc(C)c1OCCCn1ccnc1 ZINC000088163287 179558693 /nfs/dbraw/zinc/55/86/93/179558693.db2.gz WJNCQOKUVCCJMF-UHFFFAOYSA-N 1 0 272.352 2.253 10 0 CEAERO Cc1cc(N)ccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088163690 179559001 /nfs/dbraw/zinc/55/90/01/179559001.db2.gz ZBBLGWCVHKNKJW-GOOCMWNKSA-N 1 0 287.407 2.322 10 0 CEAERO c1ccc(C[N@@H+]2CCOC[C@@H](c3cccnn3)C2)cc1 ZINC000616661772 348553056 /nfs/dbraw/zinc/55/30/56/348553056.db2.gz YUZNIJLRNBCMGT-HNNXBMFYSA-N 1 0 269.348 2.093 10 0 CEAERO Nc1ccc([C@H]2COCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000616662775 348553739 /nfs/dbraw/zinc/55/37/39/348553739.db2.gz LUGDAFBCKVWKFH-MRXNPFEDSA-N 1 0 283.375 2.110 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N(C)[C@@H](C)Cc1ccccc1OC ZINC000088200459 179564901 /nfs/dbraw/zinc/56/49/01/179564901.db2.gz MYKVTGGBBCKUFP-KBPBESRZSA-N 1 0 292.423 2.330 10 0 CEAERO C[NH2+]Cc1cccc(N(C)CCc2ccccc2)n1 ZINC000088204188 179565931 /nfs/dbraw/zinc/56/59/31/179565931.db2.gz GEBMRWWMFNIXLE-UHFFFAOYSA-N 1 0 255.365 2.480 10 0 CEAERO Nc1ccccc1[C@H]1CNc2ccccc2N1CC[NH3+] ZINC000616683135 348559524 /nfs/dbraw/zinc/55/95/24/348559524.db2.gz CKEUZEOLSYAOAI-MRXNPFEDSA-N 1 0 268.364 2.201 10 0 CEAERO [NH3+]CCN1C[C@@H](c2ccncc2)Nc2ccccc21 ZINC000616693773 348562685 /nfs/dbraw/zinc/56/26/85/348562685.db2.gz ZCGJEPAYCJFNPK-AWEZNQCLSA-N 1 0 254.337 2.014 10 0 CEAERO C[C@]([NH3+])(c1nc([C@H]2COc3ccccc3C2)no1)C1CC1 ZINC000087996423 179532308 /nfs/dbraw/zinc/53/23/08/179532308.db2.gz NUFVHVZRKULHHS-BDJLRTHQSA-N 1 0 285.347 2.372 10 0 CEAERO c1ccc2c(c1)OCC[C@@H]2c1noc([C@H]2CCC[NH2+]C2)n1 ZINC000087996261 179532391 /nfs/dbraw/zinc/53/23/91/179532391.db2.gz XWJZKDUKGZUCEY-AAEUAGOBSA-N 1 0 285.347 2.451 10 0 CEAERO CCS(=O)(=O)CCC[C@]1(C[NH3+])CCc2ccccc21 ZINC000088007711 179535192 /nfs/dbraw/zinc/53/51/92/179535192.db2.gz QYDSRMPADCRFPQ-OAHLLOKOSA-N 1 0 281.421 2.044 10 0 CEAERO C[C@@H]([NH2+]CC1(O)CCSCC1)c1cncc(F)c1 ZINC000305118158 539654868 /nfs/dbraw/zinc/65/48/68/539654868.db2.gz IRTNCPGHMQTDHZ-SNVBAGLBSA-N 1 0 270.373 2.129 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)CN1CCC[C@H](C(F)(F)F)C1 ZINC000088439663 179602759 /nfs/dbraw/zinc/60/27/59/179602759.db2.gz DDJFDOVTYGFZBN-NWDGAFQWSA-N 1 0 282.350 2.010 10 0 CEAERO CCCC1CCN(C(=O)[C@@H]2C[NH2+]C[C@@H](C)C2)CC1 ZINC000088450881 179606799 /nfs/dbraw/zinc/60/67/99/179606799.db2.gz LPPUGLFQISJKNI-JSGCOSHPSA-N 1 0 252.402 2.271 10 0 CEAERO CC[C@H](C)C[C@@H](C)NC(=O)[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000088300173 179576397 /nfs/dbraw/zinc/57/63/97/179576397.db2.gz MYGXTEMTIABKRI-LZWOXQAQSA-N 1 0 295.471 2.144 10 0 CEAERO Nc1ccccc1SC[C@@H](O)[C@H]([NH3+])Cc1ccccc1 ZINC000088398443 179591878 /nfs/dbraw/zinc/59/18/78/179591878.db2.gz UHODLVKXAQRVIW-HUUCEWRRSA-N 1 0 288.416 2.292 10 0 CEAERO CCC[NH2+][C@@H](Cc1ncnn1C)Cc1cccc(F)c1 ZINC000088581860 179629480 /nfs/dbraw/zinc/62/94/80/179629480.db2.gz BMMRMONTFGYPSK-CQSZACIVSA-N 1 0 276.359 2.108 10 0 CEAERO CC(C)n1ncnc1COc1cccc2c1CC[C@@H]2[NH3+] ZINC000088585712 179631407 /nfs/dbraw/zinc/63/14/07/179631407.db2.gz WABAUVOQNISAJB-ZDUSSCGKSA-N 1 0 272.352 2.384 10 0 CEAERO CC(C)n1ncnc1COCC1([NH3+])CCCCC1 ZINC000088596977 179633558 /nfs/dbraw/zinc/63/35/58/179633558.db2.gz PFGVYHSUYDTNSJ-UHFFFAOYSA-N 1 0 252.362 2.037 10 0 CEAERO CC[NH2+][C@@H](Cc1ncnn1CC)[C@H]1Cc2ccccc21 ZINC000088612657 179639436 /nfs/dbraw/zinc/63/94/36/179639436.db2.gz HHQYWQHKCFTVAO-GJZGRUSLSA-N 1 0 270.380 2.159 10 0 CEAERO CCCn1ncnc1CN1C[C@@H](C2CC2)[NH2+]C[C@@]1(C)CC ZINC000088625790 179642943 /nfs/dbraw/zinc/64/29/43/179642943.db2.gz VUHKMQWKKLYOEU-GOEBONIOSA-N 1 0 291.443 2.041 10 0 CEAERO COc1cc(C[NH3+])c(Cc2ccncc2)cc1OC ZINC000088529170 179618301 /nfs/dbraw/zinc/61/83/01/179618301.db2.gz CEJYNQMVRGHSPX-UHFFFAOYSA-N 1 0 258.321 2.148 10 0 CEAERO [NH3+][C@H](Cc1ccccn1)[C@H]1COc2ccccc2C1 ZINC000088531214 179618856 /nfs/dbraw/zinc/61/88/56/179618856.db2.gz XHLNSYWMCZGXHO-UKRRQHHQSA-N 1 0 254.333 2.203 10 0 CEAERO CCc1nc(CC)n([C@H](C[NH3+])c2ccc(F)cc2)n1 ZINC000088739716 179662171 /nfs/dbraw/zinc/66/21/71/179662171.db2.gz KGSXOZJKLQGKDO-GFCCVEGCSA-N 1 0 262.332 2.090 10 0 CEAERO CCc1nc(CC)n([C@@H](c2ccncc2)[C@@H]([NH3+])CC)n1 ZINC000088739738 179662296 /nfs/dbraw/zinc/66/22/96/179662296.db2.gz MYNGIWBJIPQXAR-WFASDCNBSA-N 1 0 273.384 2.125 10 0 CEAERO CC(C)CNS(=O)(=O)Cc1cccc(C[NH2+]C(C)C)c1 ZINC000088980479 179689208 /nfs/dbraw/zinc/68/92/08/179689208.db2.gz FQVUHMSFAGTIKK-UHFFFAOYSA-N 1 0 298.452 2.260 10 0 CEAERO CCCCC[C@@H](C)NS(=O)(=O)CCC[NH2+]CCC ZINC000088998218 179691162 /nfs/dbraw/zinc/69/11/62/179691162.db2.gz MIJIBJJMERKRDP-CYBMUJFWSA-N 1 0 278.462 2.264 10 0 CEAERO C[NH2+]CCc1nnc([C@H](OC)c2ccccc2)s1 ZINC000088822546 179677677 /nfs/dbraw/zinc/67/76/77/179677677.db2.gz BBODUUHGNYODOG-GFCCVEGCSA-N 1 0 263.366 2.036 10 0 CEAERO CC[NH2+]CCc1nnc(-c2ccc(OC)cc2OC)s1 ZINC000088822836 179678724 /nfs/dbraw/zinc/67/87/24/179678724.db2.gz FMHKULZTOIOEDE-UHFFFAOYSA-N 1 0 293.392 2.374 10 0 CEAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc2cc[nH]c21 ZINC000088732276 539683431 /nfs/dbraw/zinc/68/34/31/539683431.db2.gz MYMRDIKRBBDRSS-FUNVUKJBSA-N 1 0 269.348 2.181 10 0 CEAERO Cc1cc(C)cc(S(=O)(=O)N(C)[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089111582 179705919 /nfs/dbraw/zinc/70/59/19/179705919.db2.gz YNCMEJPDXVXARC-HIFRSBDPSA-N 1 0 296.436 2.051 10 0 CEAERO Cc1ccc(C(=O)N(C)[C@@H]2CCC[C@@H]2C[NH3+])cc1F ZINC000089111022 179706020 /nfs/dbraw/zinc/70/60/20/179706020.db2.gz XUIFVTBTTWKLJU-TZMCWYRMSA-N 1 0 264.344 2.334 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1cc2ccccc2[nH]1 ZINC000089091503 539688536 /nfs/dbraw/zinc/68/85/36/539688536.db2.gz APAHWGYBYVFGNC-YPMHNXCESA-N 1 0 257.337 2.025 10 0 CEAERO CCN(C(=O)Cc1ccc(F)cc1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089113896 179707887 /nfs/dbraw/zinc/70/78/87/179707887.db2.gz OCXGPSMIENEXEM-UKRRQHHQSA-N 1 0 278.371 2.344 10 0 CEAERO COC(=O)c1cc(C)ccc1N[C@H]1CCC[C@@H]1C[NH3+] ZINC000089148399 179723636 /nfs/dbraw/zinc/72/36/36/179723636.db2.gz ZIIRKUJNVOWRRC-YPMHNXCESA-N 1 0 262.353 2.321 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1Nc1ccc(Sc2nc[nH]n2)cc1 ZINC000089149264 179725323 /nfs/dbraw/zinc/72/53/23/179725323.db2.gz NFIZPNUJEPKZOF-ZWNOBZJWSA-N 1 0 289.408 2.495 10 0 CEAERO CC[NH2+][C@@H](C)[C@H]1CCCCN1Cc1cc(C)nn1C ZINC000089180676 179744423 /nfs/dbraw/zinc/74/44/23/179744423.db2.gz MGEMOKNRLFPAHU-DZGCQCFKSA-N 1 0 264.417 2.081 10 0 CEAERO CC(C)[C@H](C)C(=O)N(C1CCC1)C1CC[NH2+]CC1 ZINC000675054312 539703930 /nfs/dbraw/zinc/70/39/30/539703930.db2.gz GCPVDSFWXNFPNV-LBPRGKRZSA-N 1 0 252.402 2.412 10 0 CEAERO CCc1cc(CN(CC)C(C)(C)C[NH3+])n(CC)n1 ZINC000089181819 179745969 /nfs/dbraw/zinc/74/59/69/179745969.db2.gz NWQGLGWKMMRAES-UHFFFAOYSA-N 1 0 252.406 2.025 10 0 CEAERO CCc1cc(CN(CC)[C@H]2CCC[NH2+]C2)n(CC)n1 ZINC000089188516 179747376 /nfs/dbraw/zinc/74/73/76/179747376.db2.gz VNPWJTPSQCJIFI-AWEZNQCLSA-N 1 0 264.417 2.039 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCc1ccc(F)c(Cl)c1 ZINC000089461700 539719247 /nfs/dbraw/zinc/71/92/47/539719247.db2.gz YUXGVTPEXDZCCQ-WDEREUQCSA-N 1 0 284.762 2.470 10 0 CEAERO CCc1cc(C[C@@H](C[C@H]2CCCO2)[NH2+]C)n(CC)n1 ZINC000089193167 179749767 /nfs/dbraw/zinc/74/97/67/179749767.db2.gz OLHMGHJIIBSLJH-DZGCQCFKSA-N 1 0 265.401 2.165 10 0 CEAERO C[C@H]1C[C@@H](O)C[N@H+](CCOc2ccc(Cl)cc2)C1 ZINC000401698151 233185294 /nfs/dbraw/zinc/18/52/94/233185294.db2.gz LIUMYJAIUKEQTF-WCQYABFASA-N 1 0 269.772 2.422 10 0 CEAERO CCCSC[C@@H](Cc1cc(C)nn1CC)[NH2+]C ZINC000089198680 179751573 /nfs/dbraw/zinc/75/15/73/179751573.db2.gz DACAWXIOKICZRD-GFCCVEGCSA-N 1 0 255.431 2.485 10 0 CEAERO COc1ccc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])c(OC)c1 ZINC000089448764 539716185 /nfs/dbraw/zinc/71/61/85/539716185.db2.gz PJRSWDHGGBPHBD-CMPLNLGQSA-N 1 0 278.352 2.017 10 0 CEAERO CCOCc1ccccc1CNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089454546 539716708 /nfs/dbraw/zinc/71/67/08/539716708.db2.gz GFQUOTHYFPOERD-CJNGLKHVSA-N 1 0 290.407 2.214 10 0 CEAERO Cc1nc2cc(NC(=O)[C@H]3CCC[C@H]3C[NH3+])ccc2[nH]1 ZINC000089453835 539716807 /nfs/dbraw/zinc/71/68/07/539716807.db2.gz HBSCYGNIFKCGPP-JQWIXIFHSA-N 1 0 272.352 2.185 10 0 CEAERO COc1cccc(CN(C)C(=O)[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000089455134 539717248 /nfs/dbraw/zinc/71/72/48/539717248.db2.gz UPQLFWBGGOGXEV-ZFWWWQNUSA-N 1 0 276.380 2.029 10 0 CEAERO CN(CCOc1ccc(F)cc1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089455648 539717271 /nfs/dbraw/zinc/71/72/71/539717271.db2.gz DRQILGVJKZTFKE-SWLSCSKDSA-N 1 0 294.370 2.038 10 0 CEAERO CC[NH2+]CC1(Cc2cc(C)nn2CC)CCOCC1 ZINC000089206419 179754002 /nfs/dbraw/zinc/75/40/02/179754002.db2.gz VTVKYZQDKRZRNU-UHFFFAOYSA-N 1 0 265.401 2.160 10 0 CEAERO Cc1cc(CN2CC[NH2+]C[C@@H]2C2CCCCC2)n(C)n1 ZINC000089208679 179754795 /nfs/dbraw/zinc/75/47/95/179754795.db2.gz UVSLRHLWPBEGDM-MRXNPFEDSA-N 1 0 276.428 2.083 10 0 CEAERO Cc1nn(C)c(CN2CC3(CCCC3)[NH2+]C[C@@H]2C)c1Cl ZINC000089270894 179763147 /nfs/dbraw/zinc/76/31/47/179763147.db2.gz ZBGGVBGBYDJQJR-NSHDSACASA-N 1 0 296.846 2.488 10 0 CEAERO Cc1nn(C)c(CN2C[C@@](C)(C3CC3)[NH2+]C[C@@H]2C)c1Cl ZINC000089270975 179763171 /nfs/dbraw/zinc/76/31/71/179763171.db2.gz IUOFNUOWCQTTNL-BONVTDFDSA-N 1 0 296.846 2.344 10 0 CEAERO CCCCN(CC[NH3+])Cc1c(Cl)c(C)nn1CC ZINC000089279423 179764528 /nfs/dbraw/zinc/76/45/28/179764528.db2.gz XOXWNTGIKXINGF-UHFFFAOYSA-N 1 0 272.824 2.426 10 0 CEAERO CCn1nc(C)c(Cl)c1C[C@@H](CCOC)[NH2+]C ZINC000089295564 179765995 /nfs/dbraw/zinc/76/59/95/179765995.db2.gz YDFQYLWCRRJCBO-SNVBAGLBSA-N 1 0 259.781 2.032 10 0 CEAERO COc1cc(NC(=O)[C@@H]2CCCC[C@@H]2C[NH3+])cc(OC)c1 ZINC000089386014 179777389 /nfs/dbraw/zinc/77/73/89/179777389.db2.gz ILZBHSSUQOFWGH-IAQYHMDHSA-N 1 0 292.379 2.407 10 0 CEAERO CCOc1ccccc1CN(C)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089457609 179794619 /nfs/dbraw/zinc/79/46/19/179794619.db2.gz IZGCWXOCWSYXGK-UKRRQHHQSA-N 1 0 290.407 2.419 10 0 CEAERO CC(C)N(CC(F)(F)F)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089456890 179794676 /nfs/dbraw/zinc/79/46/76/179794676.db2.gz ONKBBAPZQBGHHE-VHSXEESVSA-N 1 0 266.307 2.161 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@H]1COCCOCC(F)(F)F ZINC000089535336 179812520 /nfs/dbraw/zinc/81/25/20/179812520.db2.gz LMTLYNQHUROYSC-MNOVXSKESA-N 1 0 269.307 2.347 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@H]1COc1ncnc2c1CCC2 ZINC000089537925 179813275 /nfs/dbraw/zinc/81/32/75/179813275.db2.gz RKAUYVCLGZBUSU-NEPJUHHUSA-N 1 0 261.369 2.109 10 0 CEAERO NC(=O)c1ccc(OC[C@@H]2CCC[C@H]2C[NH3+])c(Cl)c1 ZINC000089538547 179813338 /nfs/dbraw/zinc/81/33/38/179813338.db2.gz HARUAYROINZECL-QWRGUYRKSA-N 1 0 282.771 2.193 10 0 CEAERO Cc1csc([C@@H](C)NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000089463162 179797470 /nfs/dbraw/zinc/79/74/70/179797470.db2.gz PBSRXGFYYSOUHH-GMTAPVOTSA-N 1 0 267.398 2.004 10 0 CEAERO Cc1ccccc1CC(=O)NC[C@H]1CCC[C@@H]1C[NH3+] ZINC000089500543 179804857 /nfs/dbraw/zinc/80/48/57/179804857.db2.gz BVWPJLOOTGXYGY-HUUCEWRRSA-N 1 0 260.381 2.029 10 0 CEAERO CC(C)(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC000089756105 179861632 /nfs/dbraw/zinc/86/16/32/179861632.db2.gz ZUCLXFOZWFVZGT-JHJVBQTASA-N 1 0 280.412 2.376 10 0 CEAERO CC[C@@H]([NH3+])[C@H](SCCS(C)(=O)=O)c1ccsc1 ZINC000104339416 185975466 /nfs/dbraw/zinc/97/54/66/185975466.db2.gz MJKWUWRQHIVFPM-GHMZBOCLSA-N 1 0 293.479 2.304 10 0 CEAERO C[C@H]1CCC[C@H](/C=C2\SC(=O)N(CC[NH3+])C2=O)C1 ZINC000089606866 179828776 /nfs/dbraw/zinc/82/87/76/179828776.db2.gz YRKXGTGBIDAKSR-YNMOXFEVSA-N 1 0 268.382 2.351 10 0 CEAERO C[C@H]1CN(C(=O)c2c[nH]c3ccccc23)C[C@H]1[NH+](C)C ZINC000089710335 179851108 /nfs/dbraw/zinc/85/11/08/179851108.db2.gz ALEDSSASYWTUQJ-XHDPSFHLSA-N 1 0 271.364 2.190 10 0 CEAERO Cc1cc(NC(=O)C[C@H]2CC[NH2+]C2)c2ccccc2n1 ZINC000089717528 179854692 /nfs/dbraw/zinc/85/46/92/179854692.db2.gz QRIFEEKROVZWIZ-GFCCVEGCSA-N 1 0 269.348 2.481 10 0 CEAERO Cc1ncsc1CC[NH2+]C[C@@](C)(O)CC(C)C ZINC000090272039 179944509 /nfs/dbraw/zinc/94/45/09/179944509.db2.gz UDZPKACXEDLLDP-ZDUSSCGKSA-N 1 0 256.415 2.381 10 0 CEAERO COC(=O)[C@H](C[NH2+]C[C@@](C)(O)CC(C)C)c1ccccc1 ZINC000090271946 179944629 /nfs/dbraw/zinc/94/46/29/179944629.db2.gz IWBMLPSITKLHSW-WBVHZDCISA-N 1 0 293.407 2.330 10 0 CEAERO CN([C@@H](c1ccccc1)c1ccccn1)C1C[NH2+]C1 ZINC000090289555 179949586 /nfs/dbraw/zinc/94/95/86/179949586.db2.gz CCKVRGATXCMZLB-INIZCTEOSA-N 1 0 253.349 2.075 10 0 CEAERO CC[C@@H](C)[C@@H](C(=O)N(C)C1C[NH2+]C1)c1ccccc1 ZINC000090289737 179949739 /nfs/dbraw/zinc/94/97/39/179949739.db2.gz XAIPEJIZZKZKNL-IUODEOHRSA-N 1 0 260.381 2.247 10 0 CEAERO CCCN(Cc1nn(CC)c2ccccc12)C1C[NH2+]C1 ZINC000090293549 179951800 /nfs/dbraw/zinc/95/18/00/179951800.db2.gz LEVXIZAZFYGCSY-UHFFFAOYSA-N 1 0 272.396 2.240 10 0 CEAERO C[NH2+][C@@H](CSc1cccc(Cl)c1)Cc1ncnn1C ZINC000090239091 179938218 /nfs/dbraw/zinc/93/82/18/179938218.db2.gz VKSDFOKTHPOTNL-LLVKDONJSA-N 1 0 296.827 2.391 10 0 CEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C(=O)CC1CCCC1 ZINC000090331240 179962338 /nfs/dbraw/zinc/96/23/38/179962338.db2.gz KDGYMRPHPBRRRV-HZSPNIEDSA-N 1 0 250.386 2.023 10 0 CEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C(=O)c1cccc(C)c1 ZINC000090330528 179962385 /nfs/dbraw/zinc/96/23/85/179962385.db2.gz GBBBEYSSKCMSGD-QLFBSQMISA-N 1 0 258.365 2.065 10 0 CEAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)Nc1ccccc1 ZINC000090331414 179963206 /nfs/dbraw/zinc/96/32/06/179963206.db2.gz BRTKBLVDUUYXKD-MRVWCRGKSA-N 1 0 259.353 2.148 10 0 CEAERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)c1cccc2cc[nH]c21 ZINC000090336203 179965306 /nfs/dbraw/zinc/96/53/06/179965306.db2.gz CEEIIZASGNFVDE-TZMCWYRMSA-N 1 0 283.375 2.238 10 0 CEAERO [NH3+]CCCSCC(=O)Nc1ccc(F)cc1Cl ZINC000090344913 179970129 /nfs/dbraw/zinc/97/01/29/179970129.db2.gz VKPBFFGUULCXMY-UHFFFAOYSA-N 1 0 276.764 2.500 10 0 CEAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1csc2ccccc12 ZINC000623765868 350106238 /nfs/dbraw/zinc/10/62/38/350106238.db2.gz XRHXQVHFBFFPNL-QWHCGFSZSA-N 1 0 263.362 2.141 10 0 CEAERO O[C@H]1COCC[C@H]1[NH2+]Cc1cc(Cl)ccc1Cl ZINC000623767353 350107337 /nfs/dbraw/zinc/10/73/37/350107337.db2.gz UNTSTEICHBXYNX-NEPJUHHUSA-N 1 0 276.163 2.233 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccccc1SC ZINC000090540884 180000181 /nfs/dbraw/zinc/00/01/81/180000181.db2.gz QRJRWZNSSJQSSL-WCQYABFASA-N 1 0 294.420 2.362 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)N(CCC(C)C)C1CC1 ZINC000090541820 180000752 /nfs/dbraw/zinc/00/07/52/180000752.db2.gz DKYKROSROGLQIY-CABCVRRESA-N 1 0 282.428 2.038 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)N1CCC[C@H](C(C)C)CC1 ZINC000090545894 180001179 /nfs/dbraw/zinc/00/11/79/180001179.db2.gz KTIVCSVZZHDFBQ-ARFHVFGLSA-N 1 0 296.455 2.286 10 0 CEAERO O=C(CSCC1C[NH2+]C1)Nc1cccc2c1N=S=N2 ZINC000090712761 180028704 /nfs/dbraw/zinc/02/87/04/180028704.db2.gz NIBILJYMPXAELO-UHFFFAOYSA-N 1 0 294.405 2.304 10 0 CEAERO C[C@]1(c2nc3ccc(F)cc3n2C2CC2)COC[C@H]1[NH3+] ZINC000090571866 180007201 /nfs/dbraw/zinc/00/72/01/180007201.db2.gz MQFSCXQKVHNZPB-HIFRSBDPSA-N 1 0 275.327 2.126 10 0 CEAERO CC(C)n1c2cc(F)ccc2nc1[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090571861 180007352 /nfs/dbraw/zinc/00/73/52/180007352.db2.gz WDIYZMDNAZXBJQ-ZFWWWQNUSA-N 1 0 277.343 2.372 10 0 CEAERO CC(C)n1c2cc(F)ccc2nc1[C@]1(C)COC[C@H]1[NH3+] ZINC000090571862 180007862 /nfs/dbraw/zinc/00/78/62/180007862.db2.gz WDIYZMDNAZXBJQ-UKRRQHHQSA-N 1 0 277.343 2.372 10 0 CEAERO C[C@@]1(C(=O)Nc2cccc(C(F)(F)F)c2)COC[C@@H]1[NH3+] ZINC000090580313 180008466 /nfs/dbraw/zinc/00/84/66/180008466.db2.gz WBHOXGSNOZTTIZ-CMPLNLGQSA-N 1 0 288.269 2.008 10 0 CEAERO C[C@@]1(C(=O)Nc2ccc(Cl)c(Cl)c2)COC[C@H]1[NH3+] ZINC000090580694 180008736 /nfs/dbraw/zinc/00/87/36/180008736.db2.gz IMGNWEYXABNRFY-ZYHUDNBSSA-N 1 0 289.162 2.296 10 0 CEAERO CC[C@H](NC(=O)[C@]1(C)COC[C@@H]1[NH3+])c1cccc(Cl)c1 ZINC000090585495 180009346 /nfs/dbraw/zinc/00/93/46/180009346.db2.gz YBHJFGQIIUIYMJ-KCQAQPDRSA-N 1 0 296.798 2.271 10 0 CEAERO Cc1sc2nc(CSCC3C[NH2+]C3)nc(N)c2c1C ZINC000090712744 180028902 /nfs/dbraw/zinc/02/89/02/180028902.db2.gz GMKUQVYGBFVIJM-UHFFFAOYSA-N 1 0 294.449 2.343 10 0 CEAERO CCOC(C[NH2+]Cc1cccc(COC)c1)OCC ZINC000090714235 180028919 /nfs/dbraw/zinc/02/89/19/180028919.db2.gz WMEHVENSROFRTG-UHFFFAOYSA-N 1 0 267.369 2.322 10 0 CEAERO CC[NH2+][C@](CO)(CO[C@@H](C)C(F)(F)F)c1ccccc1 ZINC000090675979 180022173 /nfs/dbraw/zinc/02/21/73/180022173.db2.gz YXWQFZAHLQURRD-WCQYABFASA-N 1 0 291.313 2.451 10 0 CEAERO C[C@@H](OCCC[C@](C)(CO)[NH2+]C1CC1)C(F)(F)F ZINC000090675969 180022370 /nfs/dbraw/zinc/02/23/70/180022370.db2.gz BWOBTXCWPOLJDJ-MWLCHTKSSA-N 1 0 269.307 2.237 10 0 CEAERO CCC[NH2+][C@](C)(CO)CCCO[C@@H](C)C(F)(F)F ZINC000090675982 180022506 /nfs/dbraw/zinc/02/25/06/180022506.db2.gz UDXITUIUAJUCLG-QWRGUYRKSA-N 1 0 271.323 2.485 10 0 CEAERO CCC(CC)C(=O)N1CCCSC[C@@H]1C[NH+](C)C ZINC000090699758 180027689 /nfs/dbraw/zinc/02/76/89/180027689.db2.gz ZBQNPTPTABAQDN-ZDUSSCGKSA-N 1 0 272.458 2.318 10 0 CEAERO C[NH+](C)C[C@@H]1CSCCCN1C(=O)c1cccs1 ZINC000090699994 180028056 /nfs/dbraw/zinc/02/80/56/180028056.db2.gz YOMUZOBXSLFXTK-LLVKDONJSA-N 1 0 284.450 2.257 10 0 CEAERO Cc1nc2sccn2c1CN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000090721090 180031417 /nfs/dbraw/zinc/03/14/17/180031417.db2.gz AUCGKXIIYWJGEN-PWSUYJOCSA-N 1 0 278.425 2.277 10 0 CEAERO COC(=O)c1nc(C)cc(OCC2([NH3+])CCCCCC2)n1 ZINC000090739903 180034611 /nfs/dbraw/zinc/03/46/11/180034611.db2.gz GKIUCWCIIBQMMP-UHFFFAOYSA-N 1 0 293.367 2.002 10 0 CEAERO CCC[NH2+][C@@H](Cc1cc(OC)ncn1)C(C)(C)C ZINC000090783901 180039420 /nfs/dbraw/zinc/03/94/20/180039420.db2.gz PSAYXMNRAZYRRD-LBPRGKRZSA-N 1 0 251.374 2.442 10 0 CEAERO CC(C)Oc1cc(N(C)c2ccc(C[NH3+])cc2)ncn1 ZINC000090786004 180039918 /nfs/dbraw/zinc/03/99/18/180039918.db2.gz LAWJVRCNSZAFLZ-UHFFFAOYSA-N 1 0 272.352 2.490 10 0 CEAERO CC(C)Oc1cc(NCc2ccccc2C[NH3+])ncn1 ZINC000090786084 180040026 /nfs/dbraw/zinc/04/00/26/180040026.db2.gz NYYVZZVUMIXAGN-UHFFFAOYSA-N 1 0 272.352 2.335 10 0 CEAERO CCCOc1cc(N[C@@H](C)[C@H]2CCC[NH2+]C2)ncn1 ZINC000090785149 180040213 /nfs/dbraw/zinc/04/02/13/180040213.db2.gz UCVDPDCTOUWWFS-RYUDHWBXSA-N 1 0 264.373 2.065 10 0 CEAERO CC(C)Oc1cc(N[C@H](C)[C@H]2CCC[NH2+]C2)ncn1 ZINC000090786069 180040316 /nfs/dbraw/zinc/04/03/16/180040316.db2.gz DIIBZPUEUZUJQK-NEPJUHHUSA-N 1 0 264.373 2.064 10 0 CEAERO CC(C)Oc1cc(O[C@H]2CCCC[C@@H]2C[NH3+])ncn1 ZINC000090786350 180040458 /nfs/dbraw/zinc/04/04/58/180040458.db2.gz SENURFWODADBFI-NEPJUHHUSA-N 1 0 265.357 2.160 10 0 CEAERO CC(C)Oc1cc(O[C@@H]2CCCC[C@H]2C[NH3+])ncn1 ZINC000090786351 180040470 /nfs/dbraw/zinc/04/04/70/180040470.db2.gz SENURFWODADBFI-NWDGAFQWSA-N 1 0 265.357 2.160 10 0 CEAERO CC(C)C[NH2+]C[C@H]1CCCN1c1cc(OC(C)C)ncn1 ZINC000090786386 180040858 /nfs/dbraw/zinc/04/08/58/180040858.db2.gz DFJHSVREVBVYQG-CQSZACIVSA-N 1 0 292.427 2.478 10 0 CEAERO CCOc1cc(OCC[C@H]2CCCC[NH2+]2)nc(C)n1 ZINC000090788077 180041219 /nfs/dbraw/zinc/04/12/19/180041219.db2.gz KGGFDBZRCUSTLC-GFCCVEGCSA-N 1 0 265.357 2.095 10 0 CEAERO CCOc1cc(NC[C@H]2CCCC[C@H]2C[NH3+])nc(C)n1 ZINC000090788428 180041361 /nfs/dbraw/zinc/04/13/61/180041361.db2.gz QNYOXUMWEKDHDN-QWHCGFSZSA-N 1 0 278.400 2.361 10 0 CEAERO CC[C@H]([NH3+])Cc1c(C)nn(C)c1SCCCOC ZINC000104445530 186005213 /nfs/dbraw/zinc/00/52/13/186005213.db2.gz ZXMRJGJYEMCMBD-NSHDSACASA-N 1 0 271.430 2.137 10 0 CEAERO COc1ccc([C@H](C)[NH2+]C[C@@H](C)[S@](C)=O)cc1OC ZINC000090841342 180043499 /nfs/dbraw/zinc/04/34/99/180043499.db2.gz FQWTWBYGKNETHS-RMDKCXRXSA-N 1 0 285.409 2.121 10 0 CEAERO C[C@H]([NH2+]C[C@H](C)[S@](C)=O)c1c(F)cccc1F ZINC000090843410 180044100 /nfs/dbraw/zinc/04/41/00/180044100.db2.gz WKZBQOUTLKPXLR-IRWWLHRVSA-N 1 0 261.337 2.382 10 0 CEAERO CC[NH2+][C@@H]1C[C@H](OC[C@@H]2CCOC2)C12CCCC2 ZINC000090862902 180046986 /nfs/dbraw/zinc/04/69/86/180046986.db2.gz VNBOPXUBGRMZEO-MCIONIFRSA-N 1 0 253.386 2.350 10 0 CEAERO CC[C@]1(C)[C@@H]([NH2+]C)C[C@@H]1Oc1c(C)nn(C)c1C ZINC000090865755 180048007 /nfs/dbraw/zinc/04/80/07/180048007.db2.gz VHKUBHSBEXLGTF-SGMGOOAPSA-N 1 0 251.374 2.192 10 0 CEAERO CC[NH2+][C@@H]1C[C@H](Oc2c(C)nn(C)c2C)C1(C)C ZINC000090865729 180048181 /nfs/dbraw/zinc/04/81/81/180048181.db2.gz RSDXWAGEZQMIBO-NEPJUHHUSA-N 1 0 251.374 2.192 10 0 CEAERO CCNC(=O)[C@H](C)Sc1cccc(C[NH2+]CC)c1 ZINC000090871129 180049069 /nfs/dbraw/zinc/04/90/69/180049069.db2.gz CRQHEWCLTDWGIK-NSHDSACASA-N 1 0 266.410 2.413 10 0 CEAERO C[NH2+]Cc1cccc(S[C@@H](C)C(=O)NC2CC2)c1 ZINC000090870785 180049368 /nfs/dbraw/zinc/04/93/68/180049368.db2.gz VBPQSTQHCQQYQI-JTQLQIEISA-N 1 0 264.394 2.165 10 0 CEAERO c1cn(CCCC[NH2+]C[C@@H]2Cc3ccccc3O2)cn1 ZINC000090874501 180050371 /nfs/dbraw/zinc/05/03/71/180050371.db2.gz NIMWDUSFYQKLSB-HNNXBMFYSA-N 1 0 271.364 2.257 10 0 CEAERO NC(=S)CC[N@H+](C[C@@H]1Cc2ccccc2O1)C1CC1 ZINC000090874939 180051005 /nfs/dbraw/zinc/05/10/05/180051005.db2.gz KDZGOGRZPMJMMV-ZDUSSCGKSA-N 1 0 276.405 2.131 10 0 CEAERO CCN(CC)C[C@H](C)[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000090874519 180051107 /nfs/dbraw/zinc/05/11/07/180051107.db2.gz ZPJWRSZQCBPKCY-ZFWWWQNUSA-N 1 0 262.397 2.310 10 0 CEAERO CCCN(C[C@@H]1Cc2ccccc2O1)[C@@H]1CC[NH2+]C1 ZINC000090876252 180051139 /nfs/dbraw/zinc/05/11/39/180051139.db2.gz AJKHLYQMDBAFCD-CABCVRRESA-N 1 0 260.381 2.064 10 0 CEAERO CCN1CCC[C@@H]1C[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892003 180053854 /nfs/dbraw/zinc/05/38/54/180053854.db2.gz OTRZZIZHDBJRMX-CABCVRRESA-N 1 0 278.371 2.203 10 0 CEAERO Cc1nccc(C[NH2+]C[C@@H]2Cc3cc(F)ccc3O2)n1 ZINC000090892257 180054190 /nfs/dbraw/zinc/05/41/90/180054190.db2.gz SJEKTPXOUASXNS-AWEZNQCLSA-N 1 0 273.311 2.017 10 0 CEAERO CC[C@@H]([NH3+])Cc1nccn1C[C@H]1Cc2cc(F)ccc2O1 ZINC000090895276 180055894 /nfs/dbraw/zinc/05/58/94/180055894.db2.gz SVWHDPUUDZXXHU-ZIAGYGMSSA-N 1 0 289.354 2.306 10 0 CEAERO CCN(C[C@H]1Cc2cc(C)ccc2O1)C(C)(C)C[NH3+] ZINC000090897015 180056770 /nfs/dbraw/zinc/05/67/70/180056770.db2.gz IZAWXWSGOLSVBI-CQSZACIVSA-N 1 0 262.397 2.358 10 0 CEAERO CCN1CCC[C@@H]1C[NH2+]C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090897230 180057072 /nfs/dbraw/zinc/05/70/72/180057072.db2.gz MJESRGFIBNZFLF-CVEARBPZSA-N 1 0 274.408 2.372 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](C[NH2+][C@@H](C)CN1CCCC1)O2 ZINC000090897623 180057347 /nfs/dbraw/zinc/05/73/47/180057347.db2.gz STMFCZJGWWKMKK-HOCLYGCPSA-N 1 0 274.408 2.372 10 0 CEAERO CN(C[C@@H]1Cc2cc(Cl)ccc2O1)[C@@H]1CCC[NH2+]C1 ZINC000090900153 180059022 /nfs/dbraw/zinc/05/90/22/180059022.db2.gz XNAZLQULNXJWAI-KGLIPLIRSA-N 1 0 280.799 2.327 10 0 CEAERO C[C@@H]([NH2+]C[C@H]1Cc2cc(Cl)ccc2O1)c1nncn1C ZINC000090904520 180059803 /nfs/dbraw/zinc/05/98/03/180059803.db2.gz FRJMUQNGDWJGPT-BXKDBHETSA-N 1 0 292.770 2.123 10 0 CEAERO CC[C@H]1CN(C[C@@H]2Cc3cc(C)ccc3O2)CCC[NH2+]1 ZINC000090902512 180059965 /nfs/dbraw/zinc/05/99/65/180059965.db2.gz BQVKFNCBGMRFFG-HOTGVXAUSA-N 1 0 274.408 2.372 10 0 CEAERO [NH3+]C[C@H](c1ccc(Cl)s1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905601 180060005 /nfs/dbraw/zinc/06/00/05/180060005.db2.gz NFKPKBDBXWFFOC-KXUCPTDWSA-N 1 0 272.801 2.265 10 0 CEAERO CC(C)C[NH2+]Cc1cnc(N2C[C@H]3CC[C@@H](C2)O3)s1 ZINC000090908142 180061601 /nfs/dbraw/zinc/06/16/01/180061601.db2.gz QWGFEZPZWIWQSN-TXEJJXNPSA-N 1 0 281.425 2.256 10 0 CEAERO CC(C)[C@H](C[NH2+]C(C)(C)C)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090907921 180061952 /nfs/dbraw/zinc/06/19/52/180061952.db2.gz FWDQIMCQTMIZOW-MJBXVCDLSA-N 1 0 254.418 2.262 10 0 CEAERO CC[C@@](C)(C[NH3+])C1(O)CC(OCc2ccccc2)C1 ZINC000669377223 539759033 /nfs/dbraw/zinc/75/90/33/539759033.db2.gz KAQKDKDLRSEUMX-PCKAHOCUSA-N 1 0 263.381 2.472 10 0 CEAERO CN(C(=O)c1csc(CC[NH3+])n1)c1ccccc1F ZINC000090953485 180073910 /nfs/dbraw/zinc/07/39/10/180073910.db2.gz YEEYIJJVALAURS-UHFFFAOYSA-N 1 0 279.340 2.060 10 0 CEAERO CCC[C@H](C[NH3+])[C@@](C)(O)COCc1ccccc1 ZINC000669377266 539759279 /nfs/dbraw/zinc/75/92/79/539759279.db2.gz LIARZDJFKROLCL-CABCVRRESA-N 1 0 251.370 2.329 10 0 CEAERO CCOC1CCN(Cc2csc([C@@H](C)[NH3+])n2)CC1 ZINC000090958096 180075149 /nfs/dbraw/zinc/07/51/49/180075149.db2.gz JVFJWUGVIMFJFQ-SNVBAGLBSA-N 1 0 269.414 2.164 10 0 CEAERO [NH3+]CCc1nc(CN2CCC(C(F)(F)F)CC2)cs1 ZINC000090958802 180075726 /nfs/dbraw/zinc/07/57/26/180075726.db2.gz SWYFQEHNVKDLLL-UHFFFAOYSA-N 1 0 293.358 2.419 10 0 CEAERO COc1cc(C[NH2+]Cc2sccc2NC(C)=O)ccn1 ZINC000090960673 180076046 /nfs/dbraw/zinc/07/60/46/180076046.db2.gz FARKHIGTBOKPCA-UHFFFAOYSA-N 1 0 291.376 2.400 10 0 CEAERO C[N@H+](CCNCc1sccc1N)C1CCCC1 ZINC000090960706 180076145 /nfs/dbraw/zinc/07/61/45/180076145.db2.gz HPRPSNRWTCOEBW-UHFFFAOYSA-N 1 0 253.415 2.294 10 0 CEAERO COC[C@@H]([NH2+]Cc1ccccc1NC(C)=O)C(C)C ZINC000090962820 180077263 /nfs/dbraw/zinc/07/72/63/180077263.db2.gz ADWXMHZUKCGQSQ-OAHLLOKOSA-N 1 0 264.369 2.406 10 0 CEAERO CC[C@@H](C)NC(=O)CC[NH2+]C[C@@H]1Cc2ccccc21 ZINC000090976408 180078898 /nfs/dbraw/zinc/07/88/98/180078898.db2.gz DKAHSPKUVRUPBF-OCCSQVGLSA-N 1 0 260.381 2.221 10 0 CEAERO C[NH2+]Cc1cccn1Cc1nn(C)c2ccccc12 ZINC000090995842 180082737 /nfs/dbraw/zinc/08/27/37/180082737.db2.gz IQHIQFMDNRUODH-UHFFFAOYSA-N 1 0 254.337 2.143 10 0 CEAERO CNC(=O)CCn1cc(C[NH2+]C2CC2)c2ccccc21 ZINC000090995567 180082999 /nfs/dbraw/zinc/08/29/99/180082999.db2.gz QLDULHTUUOEJLQ-UHFFFAOYSA-N 1 0 271.364 2.029 10 0 CEAERO CCCCNC(=O)Cn1cccc1C[NH2+]C(C)(C)C ZINC000091001565 180083263 /nfs/dbraw/zinc/08/32/63/180083263.db2.gz DVXQGWWMOQIMKB-UHFFFAOYSA-N 1 0 265.401 2.293 10 0 CEAERO CC(C)[NH2+]Cc1cccn1CC(=O)NC1CCCCC1 ZINC000091001252 180083454 /nfs/dbraw/zinc/08/34/54/180083454.db2.gz USWXDZUTPHGNJC-UHFFFAOYSA-N 1 0 277.412 2.435 10 0 CEAERO CC(C)C[NH2+]Cc1ccn(CC(=O)N[C@@H](C)C(C)C)c1 ZINC000091004422 180083815 /nfs/dbraw/zinc/08/38/15/180083815.db2.gz XFLASRCMIQAQAW-AWEZNQCLSA-N 1 0 279.428 2.394 10 0 CEAERO CCCCNC(=O)Cn1ccc(C[NH2+]CC(C)C)c1 ZINC000091004341 180084184 /nfs/dbraw/zinc/08/41/84/180084184.db2.gz HPUBTSKQVZWEBA-UHFFFAOYSA-N 1 0 265.401 2.150 10 0 CEAERO CCc1cc(Cn2cccc2C[C@H]([NH3+])CC)n(C)n1 ZINC000091005785 180084631 /nfs/dbraw/zinc/08/46/31/180084631.db2.gz OFBRLFDIBMDLAL-GFCCVEGCSA-N 1 0 260.385 2.112 10 0 CEAERO CCCn1ccc(C[NH2+][C@@H](C)C(=O)N2CCCCC2)c1 ZINC000091012518 180085926 /nfs/dbraw/zinc/08/59/26/180085926.db2.gz VZLVJCUUSRFNMB-AWEZNQCLSA-N 1 0 277.412 2.389 10 0 CEAERO CCC1CCC(O)(C[NH2+]Cc2ccn(C)c2)CC1 ZINC000091008906 180086199 /nfs/dbraw/zinc/08/61/99/180086199.db2.gz KSSIIPPISLHHSK-UHFFFAOYSA-N 1 0 250.386 2.446 10 0 CEAERO OC[C@@H]1CCC[C@@H]1C[NH2+]Cc1c[nH]c2ncccc12 ZINC000091019104 180086843 /nfs/dbraw/zinc/08/68/43/180086843.db2.gz LZSUXBGKHPDZFK-NEPJUHHUSA-N 1 0 259.353 2.061 10 0 CEAERO CCc1cc(Cn2cc(C[NH3+])c3cccnc32)n(CC)n1 ZINC000091019232 180087802 /nfs/dbraw/zinc/08/78/02/180087802.db2.gz PUEIACRCFMZUMO-UHFFFAOYSA-N 1 0 283.379 2.322 10 0 CEAERO CC(C)[NH2+]Cc1cn(Cc2nccn2C)c2ncccc12 ZINC000091020721 180087825 /nfs/dbraw/zinc/08/78/25/180087825.db2.gz OBYNAJWVCFSBGN-UHFFFAOYSA-N 1 0 283.379 2.316 10 0 CEAERO CCC(C)(C)NC(=O)Cn1cc(C[NH2+]C)c2cccnc21 ZINC000091019605 180088084 /nfs/dbraw/zinc/08/80/84/180088084.db2.gz XVPYXSJEVGSBBW-UHFFFAOYSA-N 1 0 288.395 2.061 10 0 CEAERO CC[C@@H]([NH3+])Cc1cn(C[C@@H]2CCCO2)c2ncccc12 ZINC000091022004 180088940 /nfs/dbraw/zinc/08/89/40/180088940.db2.gz ICXMFAQQGGLJMT-KGLIPLIRSA-N 1 0 273.380 2.495 10 0 CEAERO C[C@H]1CCC[C@@H](OC(=O)c2csc(CC[NH3+])n2)C1 ZINC000090939817 180068043 /nfs/dbraw/zinc/06/80/43/180068043.db2.gz NLWWPNUOJKMUMV-VHSXEESVSA-N 1 0 268.382 2.380 10 0 CEAERO [NH3+]CCc1nc(C(=O)Nc2ccc(F)cc2F)cs1 ZINC000090945979 180069648 /nfs/dbraw/zinc/06/96/48/180069648.db2.gz VIYWNCHVSXMIJP-UHFFFAOYSA-N 1 0 283.303 2.175 10 0 CEAERO [NH3+]CCc1nc(C(=O)Nc2ccc(F)cc2)cs1 ZINC000090945915 180069675 /nfs/dbraw/zinc/06/96/75/180069675.db2.gz JAFWNQZCPRIVDV-UHFFFAOYSA-N 1 0 265.313 2.036 10 0 CEAERO [NH3+]CC1([C@@H](O)c2ccsc2Br)CC1 ZINC000669377906 539761036 /nfs/dbraw/zinc/76/10/36/539761036.db2.gz ZJVIMSKWQNEWTD-ZETCQYMHSA-N 1 0 262.172 2.283 10 0 CEAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CCC[NH2+][C@@H]12 ZINC000669385042 539766492 /nfs/dbraw/zinc/76/64/92/539766492.db2.gz UZPSRRZDYUNCBW-QJPTWQEYSA-N 1 0 254.374 2.432 10 0 CEAERO CC(C)NC(=O)C[C@H](C[NH3+])N1CCCCc2ccccc21 ZINC000091318974 180133786 /nfs/dbraw/zinc/13/37/86/180133786.db2.gz DUJSJWFLDXOIMN-OAHLLOKOSA-N 1 0 289.423 2.071 10 0 CEAERO CC(C)NC(=O)C[C@@H](C[NH3+])N(C)Cc1cccc(Cl)c1 ZINC000091318359 180133999 /nfs/dbraw/zinc/13/39/99/180133999.db2.gz DEZVMLKWJSMAOV-AWEZNQCLSA-N 1 0 297.830 2.014 10 0 CEAERO COc1ccccc1-n1ncc(C[NH3+])c1C(F)(F)F ZINC000091338684 180136194 /nfs/dbraw/zinc/13/61/94/180136194.db2.gz SXWHMVYSTFKWOM-UHFFFAOYSA-N 1 0 271.242 2.358 10 0 CEAERO C[S@@](=O)CCC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000091342214 180137280 /nfs/dbraw/zinc/13/72/80/180137280.db2.gz PMTPTRCSLSQDCK-PBHICJAKSA-N 1 0 251.395 2.496 10 0 CEAERO [NH3+]Cc1cncc(-c2cccc(Br)n2)c1 ZINC000091351638 180137886 /nfs/dbraw/zinc/13/78/86/180137886.db2.gz JWFBDFACDRALLV-UHFFFAOYSA-N 1 0 264.126 2.365 10 0 CEAERO C[C@@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C1)N1CCCC1 ZINC000091354213 180138360 /nfs/dbraw/zinc/13/83/60/180138360.db2.gz WQYKXZAYAQKZDZ-FUHWJXTLSA-N 1 0 287.451 2.335 10 0 CEAERO CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091360654 180141157 /nfs/dbraw/zinc/14/11/57/180141157.db2.gz FKZYQHURYQBMLK-VGWMRTNUSA-N 1 0 294.439 2.325 10 0 CEAERO C[C@@H]1CN(C[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)C[C@H](C)O1 ZINC000091362021 180141876 /nfs/dbraw/zinc/14/18/76/180141876.db2.gz SZJZXXNBFCEYAS-QRJUGERDSA-N 1 0 266.429 2.406 10 0 CEAERO C[C@@H](CO)CSc1cc(C(N)=[NH2+])c2ccccc2n1 ZINC000091256583 180115432 /nfs/dbraw/zinc/11/54/32/180115432.db2.gz XSRTURICAADHRA-VIFPVBQESA-N 1 0 275.377 2.239 10 0 CEAERO COCC[NH2+]Cc1ccccc1S[C@@H](C)CCO ZINC000091268177 180116930 /nfs/dbraw/zinc/11/69/30/180116930.db2.gz LUNTUEQKQJPPGO-LBPRGKRZSA-N 1 0 269.410 2.286 10 0 CEAERO Cc1nn(C)c(S[C@H](C)CCO)c1C[NH2+]C(C)(C)C ZINC000091268353 180117293 /nfs/dbraw/zinc/11/72/93/180117293.db2.gz NFSHYWCSESWDMC-SNVBAGLBSA-N 1 0 285.457 2.480 10 0 CEAERO CCC[C@@H](C)N(C)[C@@H](C[NH3+])c1cncn1C1CC1 ZINC000091276271 180119609 /nfs/dbraw/zinc/11/96/09/180119609.db2.gz WDYYZZBESAWSRE-YPMHNXCESA-N 1 0 250.390 2.338 10 0 CEAERO [NH3+]C[C@@H](Nc1cccc(F)c1)c1cncn1C1CC1 ZINC000091276643 180119691 /nfs/dbraw/zinc/11/96/91/180119691.db2.gz YGSRWYFTLKQXGJ-CYBMUJFWSA-N 1 0 260.316 2.469 10 0 CEAERO C[C@H]1CCCN([C@@H](C[NH3+])c2cncn2C2CC2)CC1 ZINC000091276564 180119972 /nfs/dbraw/zinc/11/99/72/180119972.db2.gz IHZZGBRLCSZELG-JSGCOSHPSA-N 1 0 262.401 2.340 10 0 CEAERO CC(C)[C@@H]1CCCN1[C@@H](C[NH3+])c1cncn1C1CC1 ZINC000091276682 180120010 /nfs/dbraw/zinc/12/00/10/180120010.db2.gz NTLHPLZDAJDTHI-KBPBESRZSA-N 1 0 262.401 2.338 10 0 CEAERO CC[C@H](C)N(CC)[C@@H](C[NH3+])c1cncn1C1CC1 ZINC000091276236 180120109 /nfs/dbraw/zinc/12/01/09/180120109.db2.gz ZGKGXXHILJOPLP-AAEUAGOBSA-N 1 0 250.390 2.338 10 0 CEAERO [NH3+]C[C@@H](Nc1ccc(F)cc1)c1cncn1C1CC1 ZINC000091276653 180120138 /nfs/dbraw/zinc/12/01/38/180120138.db2.gz AAMXKHSOQZFHEO-CYBMUJFWSA-N 1 0 260.316 2.469 10 0 CEAERO CCCCN(CC)[C@@H](C[NH3+])c1cncn1C1CC1 ZINC000091276198 180120336 /nfs/dbraw/zinc/12/03/36/180120336.db2.gz JJNIFHXJPXIUAL-ZDUSSCGKSA-N 1 0 250.390 2.340 10 0 CEAERO C[NH2+][C@@H]1CCc2c1cccc2OCc1cncn1C ZINC000091278458 180121235 /nfs/dbraw/zinc/12/12/35/180121235.db2.gz DXBDIIJUTCRGDY-CQSZACIVSA-N 1 0 257.337 2.206 10 0 CEAERO FC(F)(F)[C@H]1CCCN(CC[C@@H]2CSCC[NH2+]2)C1 ZINC000091292366 180123562 /nfs/dbraw/zinc/12/35/62/180123562.db2.gz JFCDKTXYPIFVDS-WDEREUQCSA-N 1 0 282.375 2.356 10 0 CEAERO CNc1ccc(C(=O)N2CCC[C@H]([NH+](C)C)C2)cc1C ZINC000091432071 180153643 /nfs/dbraw/zinc/15/36/43/180153643.db2.gz MVTIEJFPUSGBDF-AWEZNQCLSA-N 1 0 275.396 2.203 10 0 CEAERO C[C@@H](O)c1ccc(NC(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000091433276 180154213 /nfs/dbraw/zinc/15/42/13/180154213.db2.gz CGOFOXOWLFRYIZ-IUODEOHRSA-N 1 0 291.395 2.298 10 0 CEAERO CNc1nc2ccccc2cc1C[N@H+](C)CC1CC(O)C1 ZINC000091451414 180158817 /nfs/dbraw/zinc/15/88/17/180158817.db2.gz XAHDIQWWVFTVLC-UHFFFAOYSA-N 1 0 285.391 2.479 10 0 CEAERO CC[C@H]1CN(C(=O)c2ccncc2Cl)[C@@H](CC)C[NH2+]1 ZINC000091457089 180160296 /nfs/dbraw/zinc/16/02/96/180160296.db2.gz MYXOXOZFIZLFCX-QWRGUYRKSA-N 1 0 281.787 2.338 10 0 CEAERO CCc1nn(CC)c(COC2CC(C[NH3+])C2)c1Cl ZINC000091462719 180162472 /nfs/dbraw/zinc/16/24/72/180162472.db2.gz KBVJHFKTALHSBO-UHFFFAOYSA-N 1 0 271.792 2.373 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1ccc(Cl)s1)N(C)CC1CC(O)C1 ZINC000091464586 180163359 /nfs/dbraw/zinc/16/33/59/180163359.db2.gz HWWUGMHDDLVULQ-MFZLWJIHSA-N 1 0 288.844 2.493 10 0 CEAERO CCc1nn(CC)c(C[C@H](O)C[NH2+]C(C)C)c1Cl ZINC000091467322 180164313 /nfs/dbraw/zinc/16/43/13/180164313.db2.gz SAULMUTXIPJCCJ-JTQLQIEISA-N 1 0 273.808 2.020 10 0 CEAERO COCC[NH2+]C[C@@H](O)Cc1ccc(Cl)cc1Cl ZINC000091467877 180164419 /nfs/dbraw/zinc/16/44/19/180164419.db2.gz ZACFJGLSKOVMLA-NSHDSACASA-N 1 0 278.179 2.133 10 0 CEAERO O[C@@H](C[NH2+]C1CC1)Cc1ccn(C2CCCCC2)n1 ZINC000091470549 180164934 /nfs/dbraw/zinc/16/49/34/180164934.db2.gz FDBIRNKMPPHUFA-OAHLLOKOSA-N 1 0 263.385 2.044 10 0 CEAERO C[NH2+]CC1CC(Oc2cccc(C(F)(F)F)n2)C1 ZINC000091474364 180165347 /nfs/dbraw/zinc/16/53/47/180165347.db2.gz YVPXNQCOKXBEFE-UHFFFAOYSA-N 1 0 260.259 2.477 10 0 CEAERO CN(CC1CC([NH3+])C1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000091476450 180166358 /nfs/dbraw/zinc/16/63/58/180166358.db2.gz AAXROQAMMUKELM-UHFFFAOYSA-N 1 0 276.424 2.399 10 0 CEAERO CC(C)[C@@H]1CCC(=O)[C@H](C[N@H+](C)CC2CC(O)C2)C1 ZINC000091490726 180170136 /nfs/dbraw/zinc/17/01/36/180170136.db2.gz FFLPFROSLFYGRA-FUUBYGMNSA-N 1 0 267.413 2.331 10 0 CEAERO C[C@@H]1CC[C@H](C[NH3+])CN1C(=O)C1C(C)(C)C1(C)C ZINC000091492768 180170902 /nfs/dbraw/zinc/17/09/02/180170902.db2.gz ATLHJCUXRKUORZ-GHMZBOCLSA-N 1 0 252.402 2.254 10 0 CEAERO CCC[C@@]1(C(=O)Nc2cccnc2C)CCC[NH2+]C1 ZINC000091497040 180172506 /nfs/dbraw/zinc/17/25/06/180172506.db2.gz NYJULPDETSQAGG-OAHLLOKOSA-N 1 0 261.369 2.498 10 0 CEAERO Cc1ccc(CC(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cc1C ZINC000091496636 180172766 /nfs/dbraw/zinc/17/27/66/180172766.db2.gz HMZLWQSKLPESBA-UKRRQHHQSA-N 1 0 260.381 2.103 10 0 CEAERO COc1ccccc1-c1csc([C@@H]2C[NH2+]CCO2)n1 ZINC000091501360 180174525 /nfs/dbraw/zinc/17/45/25/180174525.db2.gz BQUGHBDKFXVPER-ZDUSSCGKSA-N 1 0 276.361 2.480 10 0 CEAERO COc1cc2c(cc1OC)C[N@H+](CC(C)(C)[C@@H](C)O)CC2 ZINC000091405706 180147845 /nfs/dbraw/zinc/14/78/45/180147845.db2.gz XHMMQRLQHPTJOJ-GFCCVEGCSA-N 1 0 293.407 2.469 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+]CC2CC(O)C2)C12CCCC2 ZINC000091424319 180151184 /nfs/dbraw/zinc/15/11/84/180151184.db2.gz NBGOMRZIYDGXIE-PQAZSJQKSA-N 1 0 253.386 2.085 10 0 CEAERO COc1ccc(C2CC([NH2+]CC3CC(O)C3)C2)cc1 ZINC000091426569 180152104 /nfs/dbraw/zinc/15/21/04/180152104.db2.gz AWJBQXKNSHLIFV-UHFFFAOYSA-N 1 0 261.365 2.302 10 0 CEAERO C[NH2+][C@@H](Cc1ccccn1)C(C)(C)N1CCCCC1 ZINC000091564720 180193665 /nfs/dbraw/zinc/19/36/65/180193665.db2.gz HQCZLGZWUYNCNS-HNNXBMFYSA-N 1 0 261.413 2.477 10 0 CEAERO CC(C)([C@@H]([NH3+])c1ccc(F)cc1F)N1CCOCC1 ZINC000091566085 180193977 /nfs/dbraw/zinc/19/39/77/180193977.db2.gz ADTNMMDONYPANF-ZDUSSCGKSA-N 1 0 270.323 2.075 10 0 CEAERO CC1CCC([C@H]([NH3+])C(C)(C)N2CCOCC2)CC1 ZINC000091566369 180194011 /nfs/dbraw/zinc/19/40/11/180194011.db2.gz BCJXCFPCOJLOBG-RUXDESIVSA-N 1 0 254.418 2.251 10 0 CEAERO Cc1ccc(C)c(C[C@@H](O)C(C)(C)[NH+]2CCOCC2)c1 ZINC000091566033 180194013 /nfs/dbraw/zinc/19/40/13/180194013.db2.gz KVWDDHNKMUSMLX-MRXNPFEDSA-N 1 0 277.408 2.318 10 0 CEAERO CC[NH2+][C@@H](CCC(F)(F)F)C(C)(C)N1CCOCC1 ZINC000091567036 180194965 /nfs/dbraw/zinc/19/49/65/180194965.db2.gz RCXNZDVMGVSJJN-NSHDSACASA-N 1 0 282.350 2.418 10 0 CEAERO CC[C@@](C)([C@H](N)Cc1ncc(C)c(OC)c1C)[NH+](C)C ZINC000091569692 180195383 /nfs/dbraw/zinc/19/53/83/180195383.db2.gz BBLLNWPIIYFQPQ-ZBFHGGJFSA-N 1 0 279.428 2.307 10 0 CEAERO CC[C@](C)([C@H](O)Cc1ccc(OC)c(F)c1)[NH+](C)C ZINC000091569433 180195543 /nfs/dbraw/zinc/19/55/43/180195543.db2.gz KFWHGRUADZLVCW-HUUCEWRRSA-N 1 0 269.360 2.468 10 0 CEAERO CCn1nc(C)c(Cl)c1C[C@H](O)[C@](C)(CC)[NH+](C)C ZINC000091569578 180195646 /nfs/dbraw/zinc/19/56/46/180195646.db2.gz LSIBLXMWHDZZBW-JSGCOSHPSA-N 1 0 287.835 2.499 10 0 CEAERO CC[C@@](C)([C@@H](N)c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000091569822 180195657 /nfs/dbraw/zinc/19/56/57/180195657.db2.gz QYMAEFJMMGISCX-GJZGRUSLSA-N 1 0 266.385 2.434 10 0 CEAERO CC[NH2+][C@@H](c1c(C)ccnc1N)[C@](C)(CC)N(C)C ZINC000091571094 180195782 /nfs/dbraw/zinc/19/57/82/180195782.db2.gz INWUPTOFEOWHRN-ZFWWWQNUSA-N 1 0 264.417 2.353 10 0 CEAERO CCCn1ccnc1[C@H](NC)[C@@](C)(CC)[NH+](C)C ZINC000091570784 180195810 /nfs/dbraw/zinc/19/58/10/180195810.db2.gz XDPVQLMXAYOZOU-GXTWGEPZSA-N 1 0 252.406 2.284 10 0 CEAERO CCn1nccc1[C@H](N)[C@](C)(CC)[NH+](CC)CC ZINC000091573550 180196109 /nfs/dbraw/zinc/19/61/09/180196109.db2.gz XWJLBDMWXXZFPI-KBPBESRZSA-N 1 0 252.406 2.413 10 0 CEAERO CCN(CC)[C@@](C)(CC)[C@@H]([NH3+])CCCS(=O)(=O)CC ZINC000091573470 180196124 /nfs/dbraw/zinc/19/61/24/180196124.db2.gz XCBZCJKFVOGESH-KBPBESRZSA-N 1 0 292.489 2.039 10 0 CEAERO CC[NH2+][C@@H](c1cnn(CC)c1)[C@](C)(CC)N(C)C ZINC000091571514 180196149 /nfs/dbraw/zinc/19/61/49/180196149.db2.gz ZYJNZNJYSULYLI-KBPBESRZSA-N 1 0 252.406 2.284 10 0 CEAERO CCN[C@@H](c1nccn1CC)[C@](C)(CC)[NH+](C)C ZINC000091571474 180196339 /nfs/dbraw/zinc/19/63/39/180196339.db2.gz LOPGYFKQMSQKKV-JSGCOSHPSA-N 1 0 252.406 2.284 10 0 CEAERO CCCn1ncnc1C[C@H](O)[C@@](C)(CC)[NH+](CC)CC ZINC000091572864 180196374 /nfs/dbraw/zinc/19/63/74/180196374.db2.gz JSSDRJDWFQCGFX-DZGCQCFKSA-N 1 0 282.432 2.102 10 0 CEAERO CCn1cc(C[C@H](O)[C@@](C)(CC)[NH+](CC)CC)cn1 ZINC000091572943 180196704 /nfs/dbraw/zinc/19/67/04/180196704.db2.gz JHGNJTUNBSLLHD-LSDHHAIUSA-N 1 0 267.417 2.317 10 0 CEAERO CC(C)c1nn(C)c(NCC[NH+]2CCCCC2)c1N ZINC000091577466 180197763 /nfs/dbraw/zinc/19/77/63/180197763.db2.gz NYQFFTNAHACKEZ-UHFFFAOYSA-N 1 0 265.405 2.024 10 0 CEAERO CC[C@@](C)([C@@H](NC)c1c(C)ccnc1N)[NH+]1CCCC1 ZINC000091606143 180203998 /nfs/dbraw/zinc/20/39/98/180203998.db2.gz COZLBKAEWAQGJT-HOCLYGCPSA-N 1 0 276.428 2.497 10 0 CEAERO CC[C@](C)([C@@H](Cc1ncnn1C(C)C)[NH2+]C)N1CCCC1 ZINC000091607027 180204362 /nfs/dbraw/zinc/20/43/62/180204362.db2.gz DRSIPJOFJCNQDP-GDBMZVCRSA-N 1 0 293.459 2.254 10 0 CEAERO CCc1cc(C[C@H]([NH2+]C)[C@@](C)(CC)N2CCCC2)n(C)n1 ZINC000091606593 180204456 /nfs/dbraw/zinc/20/44/56/180204456.db2.gz LILBJAHPFZFZCF-DLBZAZTESA-N 1 0 292.471 2.378 10 0 CEAERO CCn1cc([C@H]([NH2+]C)[C@@](C)(CC)N2CCCC2)cn1 ZINC000091606809 180204589 /nfs/dbraw/zinc/20/45/89/180204589.db2.gz OESCXAUGSOQMSZ-LSDHHAIUSA-N 1 0 264.417 2.428 10 0 CEAERO CCn1nccc1[C@H](N)[C@@](C)(CC)[NH+]1CCCC1 ZINC000091604667 180204743 /nfs/dbraw/zinc/20/47/43/180204743.db2.gz HWIOOHHWVDKJKW-UONOGXRCSA-N 1 0 250.390 2.167 10 0 CEAERO CC[C@](C)([C@H](Cc1csc(C)n1)[NH2+]C)N1CCOCC1 ZINC000091612528 180206933 /nfs/dbraw/zinc/20/69/33/180206933.db2.gz IMRNGSQYJWLJOT-LSDHHAIUSA-N 1 0 297.468 2.083 10 0 CEAERO CC[C@@](C)([C@H](Cc1cccc(F)c1)[NH2+]C)N1CCOCC1 ZINC000091612459 180207140 /nfs/dbraw/zinc/20/71/40/180207140.db2.gz RBANKWWDIRXBEM-IRXDYDNUSA-N 1 0 294.414 2.457 10 0 CEAERO CCC(CC)(C(=O)Cc1ncnn1CC(C)C)[NH+](C)C ZINC000091613259 180207700 /nfs/dbraw/zinc/20/77/00/180207700.db2.gz ITBDWJDZQXJBDV-UHFFFAOYSA-N 1 0 280.416 2.166 10 0 CEAERO CC[NH+](CC)C(CC)(CC)[C@@H](N)c1cnccn1 ZINC000091615832 180207788 /nfs/dbraw/zinc/20/77/88/180207788.db2.gz FOAIXMNFKWJZDE-ZDUSSCGKSA-N 1 0 250.390 2.377 10 0 CEAERO CCC(CC)([C@@H](N)Cc1csc(C)n1)[NH+](C)C ZINC000091614048 180208143 /nfs/dbraw/zinc/20/81/43/180208143.db2.gz WWTFIVRDMZMKOV-LBPRGKRZSA-N 1 0 255.431 2.442 10 0 CEAERO CC[NH2+][C@@H](c1cnccc1N)C(CC)(CC)N(C)C ZINC000091614733 180208155 /nfs/dbraw/zinc/20/81/55/180208155.db2.gz DFEPJLQZAUQVDO-AWEZNQCLSA-N 1 0 264.417 2.435 10 0 CEAERO Cc1nc(NC(=O)[C@]2(C)CCC[NH2+]2)ccc1Br ZINC000091507373 180176229 /nfs/dbraw/zinc/17/62/29/180176229.db2.gz VUROULRCQQNDDC-LBPRGKRZSA-N 1 0 298.184 2.233 10 0 CEAERO COCC[NH2+]CC[C@](C)(O)c1cccc(Cl)c1 ZINC000091523854 180178072 /nfs/dbraw/zinc/17/80/72/180178072.db2.gz WDRRZZSTGYKUIZ-ZDUSSCGKSA-N 1 0 257.761 2.174 10 0 CEAERO CCCn1nccc1[C@@](C)(O)CC[NH2+]C(C)(C)C ZINC000091522643 180178215 /nfs/dbraw/zinc/17/82/15/180178215.db2.gz PBXMAVDYLFINQX-AWEZNQCLSA-N 1 0 253.390 2.279 10 0 CEAERO CC(C)CO[C@H]1C[C@@H]([NH2+]CC2CC(O)C2)C1(C)C ZINC000091525410 180178723 /nfs/dbraw/zinc/17/87/23/180178723.db2.gz NXNVJMQZARGJEQ-PQAZSJQKSA-N 1 0 255.402 2.187 10 0 CEAERO C[NH+](C)C(C)(C)[C@@H](O)c1ccc2c(c1)OCCCO2 ZINC000091528330 180179983 /nfs/dbraw/zinc/17/99/83/180179983.db2.gz DHKLSGAGAZFMNB-AWEZNQCLSA-N 1 0 265.353 2.222 10 0 CEAERO COc1c(C)cnc(CC(=O)C(C)(C)[NH+](C)C)c1C ZINC000091528088 180180006 /nfs/dbraw/zinc/18/00/06/180180006.db2.gz BPIOPKWNVIRDRQ-UHFFFAOYSA-N 1 0 264.369 2.159 10 0 CEAERO CCCn1ccnc1[C@H]([NH2+]CC)C(C)(C)N(C)C ZINC000091529182 180180572 /nfs/dbraw/zinc/18/05/72/180180572.db2.gz PITGTNDHTZBIGT-LBPRGKRZSA-N 1 0 252.406 2.284 10 0 CEAERO CCCn1ccnc1[C@@H](O)C(C)(C)[NH+](CC)CC ZINC000091530159 180180583 /nfs/dbraw/zinc/18/05/83/180180583.db2.gz CXQRJUAMBADEMW-GFCCVEGCSA-N 1 0 253.390 2.447 10 0 CEAERO CCC[NH2+][C@H](Cc1cc(CC)nn1C)C(C)(C)N(C)C ZINC000091529493 180180707 /nfs/dbraw/zinc/18/07/07/180180707.db2.gz MJCNHJJIEISIGU-OAHLLOKOSA-N 1 0 280.460 2.233 10 0 CEAERO Cc1nc(C[C@@H](O)C(C)(C)[NH+]2CCCC2)cs1 ZINC000091533480 180181333 /nfs/dbraw/zinc/18/13/33/180181333.db2.gz XFQWEMUMTZKELT-GFCCVEGCSA-N 1 0 254.399 2.229 10 0 CEAERO CCc1cc(C[C@H](O)C(C)(C)[NH+]2CCCC2)n(CC)n1 ZINC000091532887 180181400 /nfs/dbraw/zinc/18/14/00/180181400.db2.gz DTXNZLGRWFFUIT-HNNXBMFYSA-N 1 0 279.428 2.243 10 0 CEAERO C[NH2+][C@@H](c1cc(Cl)cnc1N)C(C)(C)N1CCCC1 ZINC000091534383 180181420 /nfs/dbraw/zinc/18/14/20/180181420.db2.gz MSYJQWUEANQCMI-LBPRGKRZSA-N 1 0 282.819 2.452 10 0 CEAERO CCC[NH2+][C@@H](Cc1cnn(C)c1)C(C)(C)N(CC)CC ZINC000091532012 180181578 /nfs/dbraw/zinc/18/15/78/180181578.db2.gz FOORMSIHWQVYGU-HNNXBMFYSA-N 1 0 280.460 2.451 10 0 CEAERO CCC[NH2+][C@H](c1cnccn1)C(C)(C)N1CCCC1 ZINC000091536155 180182470 /nfs/dbraw/zinc/18/24/70/180182470.db2.gz BQZQIEXDOVQCER-CQSZACIVSA-N 1 0 262.401 2.392 10 0 CEAERO Cc1nc2cc(NC(=O)[C@H]3CC[C@@H]([NH3+])C3)ccc2o1 ZINC000091539618 180183015 /nfs/dbraw/zinc/18/30/15/180183015.db2.gz CEDCNEKYTXHFKY-VHSXEESVSA-N 1 0 259.309 2.202 10 0 CEAERO [NH3+][C@H]1CC[C@@H](C(=O)Nc2cc(F)cc(F)c2F)C1 ZINC000091546039 180187143 /nfs/dbraw/zinc/18/71/43/180187143.db2.gz VLPNWLOOFXPJGZ-SVRRBLITSA-N 1 0 258.243 2.170 10 0 CEAERO CCOC(=O)c1cc(C)sc1NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091546931 180187518 /nfs/dbraw/zinc/18/75/18/180187518.db2.gz DXKSSXZUYSUIBT-UWVGGRQHSA-N 1 0 296.392 2.299 10 0 CEAERO CCC(CC)([C@H](N)c1ccnn1C)[NH+]1CCCC1 ZINC000091634880 180210849 /nfs/dbraw/zinc/21/08/49/180210849.db2.gz YMUOXIRSIBQSIT-CYBMUJFWSA-N 1 0 250.390 2.075 10 0 CEAERO CCC(CC)([C@H](N)Cc1ccnc(N)c1)[NH+]1CCCC1 ZINC000091634732 180211275 /nfs/dbraw/zinc/21/12/75/180211275.db2.gz RGRFZXROAGWXFN-CQSZACIVSA-N 1 0 276.428 2.188 10 0 CEAERO CC(C)n1ccc(CC(=O)C2([NH+](C)C)CCCC2)n1 ZINC000091636015 180211486 /nfs/dbraw/zinc/21/14/86/180211486.db2.gz FMMWJIFMQBTSQG-UHFFFAOYSA-N 1 0 263.385 2.450 10 0 CEAERO CC[NH2+][C@H](c1cc(C)cnc1N)C1(N(C)C)CCCC1 ZINC000091637962 180211913 /nfs/dbraw/zinc/21/19/13/180211913.db2.gz ULBVYLPLUVIBKA-CQSZACIVSA-N 1 0 276.428 2.497 10 0 CEAERO CC[NH+](CC)C1([C@H](O)c2nccn2C)CCCC1 ZINC000091638978 180212080 /nfs/dbraw/zinc/21/20/80/180212080.db2.gz NNUVKCSHBVHTAE-GFCCVEGCSA-N 1 0 251.374 2.108 10 0 CEAERO CCCn1ncnc1C[C@H](N)C1([NH+](CC)CC)CCCC1 ZINC000091639334 180212405 /nfs/dbraw/zinc/21/24/05/180212405.db2.gz XTOGLVXURVVMNL-AWEZNQCLSA-N 1 0 293.459 2.213 10 0 CEAERO CC[NH+](CC)C1([C@@H](NC)c2ccnn2C)CCCC1 ZINC000091639558 180212414 /nfs/dbraw/zinc/21/24/14/180212414.db2.gz BNBFRQPURLVZDG-AWEZNQCLSA-N 1 0 264.417 2.335 10 0 CEAERO CC[NH2+][C@@H](Cc1cnn(CC)c1)C1(N(C)C)CCCC1 ZINC000091638003 180212472 /nfs/dbraw/zinc/21/24/72/180212472.db2.gz NTBQRYFDXNUYPL-HNNXBMFYSA-N 1 0 278.444 2.298 10 0 CEAERO O[C@@H](Cc1ccccn1)C1([NH+]2CCCC2)CCCC1 ZINC000091640150 180212891 /nfs/dbraw/zinc/21/28/91/180212891.db2.gz CKLQFOYAZJABMW-HNNXBMFYSA-N 1 0 260.381 2.394 10 0 CEAERO Cn1cc([C@H](O)C2([NH+]3CCCCC3)CCCC2)cn1 ZINC000091641738 180212893 /nfs/dbraw/zinc/21/28/93/180212893.db2.gz KAWAVKSQTGDAAF-AWEZNQCLSA-N 1 0 263.385 2.252 10 0 CEAERO CC(C)n1ncnc1C[C@@H](N)C1([NH+]2CCCC2)CCCC1 ZINC000091640807 180213205 /nfs/dbraw/zinc/21/32/05/180213205.db2.gz RMKXPWZWILQKCM-CQSZACIVSA-N 1 0 291.443 2.137 10 0 CEAERO CCn1ccnc1[C@@H](O)C1([NH+]2CCCC2)CCCC1 ZINC000091640203 180213316 /nfs/dbraw/zinc/21/33/16/180213316.db2.gz NIFZCMUXGFVNBO-CYBMUJFWSA-N 1 0 263.385 2.345 10 0 CEAERO CCc1cc(C[C@@H](N)C2([NH+]3CCCC3)CCCC2)n(C)n1 ZINC000091640677 180213563 /nfs/dbraw/zinc/21/35/63/180213563.db2.gz ZJCOBOSIMGTKMJ-MRXNPFEDSA-N 1 0 290.455 2.261 10 0 CEAERO CCc1cc(C[C@@H](O)C2([NH+](C)C)CCCCC2)n(C)n1 ZINC000091646728 180215814 /nfs/dbraw/zinc/21/58/14/180215814.db2.gz OKMNUAJSFKGFRF-OAHLLOKOSA-N 1 0 279.428 2.150 10 0 CEAERO C[NH2+][C@H](c1cnn(C)c1)[C@@]1(N(C)C)CCC[C@@H](C)C1 ZINC000091652795 180216886 /nfs/dbraw/zinc/21/68/86/180216886.db2.gz QTMCIKLAEJWVKL-BPLDGKMQSA-N 1 0 264.417 2.191 10 0 CEAERO CC(C)n1ncnc1C[C@@H](N)[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000091652474 180217463 /nfs/dbraw/zinc/21/74/63/180217463.db2.gz WKTRYYZORZPJQH-FMKPAKJESA-N 1 0 293.459 2.239 10 0 CEAERO CCN(CC)C(=O)CC[NH2+][C@@H]1CCCc2cccnc21 ZINC000091661099 180218819 /nfs/dbraw/zinc/21/88/19/180218819.db2.gz DJWIGXQUXUAWGT-CQSZACIVSA-N 1 0 275.396 2.307 10 0 CEAERO c1cnc2c(c1)CCC[C@@H]2[NH2+][C@H]1CN2CCC1CC2 ZINC000091660182 180219017 /nfs/dbraw/zinc/21/90/17/180219017.db2.gz SOYQUNZWYPMMTH-GJZGRUSLSA-N 1 0 257.381 2.143 10 0 CEAERO Nc1cc(Cl)ccc1NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091662631 180220014 /nfs/dbraw/zinc/22/00/14/180220014.db2.gz DHCROESYRMSQSQ-VXGBXAGGSA-N 1 0 281.787 2.197 10 0 CEAERO C[NH2+][C@H](Cc1cccc2ccccc21)[C@@H]1CN(C)CCO1 ZINC000091717480 180232130 /nfs/dbraw/zinc/23/21/30/180232130.db2.gz CBHFAXCWNVZCOR-MSOLQXFVSA-N 1 0 284.403 2.301 10 0 CEAERO O[C@H](Cc1c(F)cccc1Cl)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091715529 180232147 /nfs/dbraw/zinc/23/21/47/180232147.db2.gz IJERETHFRJOSNQ-VCTAVGKDSA-N 1 0 299.773 2.246 10 0 CEAERO CCN[C@H](CC[NH+](CC)CC)c1c(C)ccnc1N ZINC000091716421 180232932 /nfs/dbraw/zinc/23/29/32/180232932.db2.gz QTTHWJLCUPLAGJ-CYBMUJFWSA-N 1 0 264.417 2.355 10 0 CEAERO CC[NH2+][C@H](c1ccc(F)cc1C)[C@H]1CN(C)CCO1 ZINC000091718717 180233224 /nfs/dbraw/zinc/23/32/24/180233224.db2.gz ZBAYTFDSEJKCDT-HUUCEWRRSA-N 1 0 266.360 2.115 10 0 CEAERO CC[NH2+][C@@H](c1ccc(F)c(F)c1F)[C@H]1CN(C)CCO1 ZINC000091718736 180233226 /nfs/dbraw/zinc/23/32/26/180233226.db2.gz MJXSFSZRHJUXHA-RISCZKNCSA-N 1 0 288.313 2.085 10 0 CEAERO C[NH2+][C@H](c1cccc2ccccc21)[C@H]1CN(C)CCO1 ZINC000091718117 180233269 /nfs/dbraw/zinc/23/32/69/180233269.db2.gz CBCOUXINSFPOIV-IAGOWNOFSA-N 1 0 270.376 2.431 10 0 CEAERO CC[NH2+][C@@H](Cc1ccc(CC)s1)[C@H]1CN(C)CCO1 ZINC000091718764 180233440 /nfs/dbraw/zinc/23/34/40/180233440.db2.gz QCYCAZXHPCKGHK-LSDHHAIUSA-N 1 0 282.453 2.162 10 0 CEAERO CC[NH2+][C@@H](Cc1ccc(CC)cc1)[C@H]1CN(C)CCO1 ZINC000091718284 180233519 /nfs/dbraw/zinc/23/35/19/180233519.db2.gz VUYLELVVFYYEBW-DLBZAZTESA-N 1 0 276.424 2.100 10 0 CEAERO CC[NH2+][C@@H](CCCc1ccccc1)[C@H]1CN(C)CCO1 ZINC000091718884 180233707 /nfs/dbraw/zinc/23/37/07/180233707.db2.gz STHKKDUQCWEAQN-DLBZAZTESA-N 1 0 276.424 2.318 10 0 CEAERO CC[NH2+][C@@H](Cc1ccc(Cl)s1)[C@H]1CN(C)CCO1 ZINC000091718540 180233779 /nfs/dbraw/zinc/23/37/79/180233779.db2.gz YZIJUCIQBJJIRB-NWDGAFQWSA-N 1 0 288.844 2.253 10 0 CEAERO CCC[NH2+][C@@H](c1cccs1)[C@H]1CN(C)CCO1 ZINC000091719540 180234131 /nfs/dbraw/zinc/23/41/31/180234131.db2.gz WKPLMHNIAGTBPN-DGCLKSJQSA-N 1 0 254.399 2.119 10 0 CEAERO CCC[NH2+][C@H](CCc1ccccc1)[C@H]1CN(C)CCO1 ZINC000091719513 180234267 /nfs/dbraw/zinc/23/42/67/180234267.db2.gz IWRNLGIALNCHLX-IAGOWNOFSA-N 1 0 276.424 2.318 10 0 CEAERO C[NH2+][C@@H](Cc1cccc(C(F)(F)F)c1)CN(C)C ZINC000091719662 180234272 /nfs/dbraw/zinc/23/42/72/180234272.db2.gz AFJPNOULEKHVDN-LBPRGKRZSA-N 1 0 260.303 2.398 10 0 CEAERO CC[NH2+][C@H](Cc1ccn(C2CCCC2)n1)CN(C)C ZINC000091719751 180234301 /nfs/dbraw/zinc/23/43/01/180234301.db2.gz WDBAKDMNAPPUDS-CQSZACIVSA-N 1 0 264.417 2.080 10 0 CEAERO CCC[NH2+][C@@H](Cc1cccc(F)c1)[C@@H]1CN(C)CCO1 ZINC000091719210 180234320 /nfs/dbraw/zinc/23/43/20/180234320.db2.gz NXOVIKCMVYSMBY-HOTGVXAUSA-N 1 0 280.387 2.067 10 0 CEAERO CN(C)C[C@H]([NH3+])Cc1ccc(OC(F)(F)F)cc1 ZINC000091719596 180234500 /nfs/dbraw/zinc/23/45/00/180234500.db2.gz NYYKZGFTLLTNPW-SNVBAGLBSA-N 1 0 262.275 2.017 10 0 CEAERO C[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1ccccc1Cl ZINC000624235438 350239165 /nfs/dbraw/zinc/23/91/65/350239165.db2.gz KHXTVOQVMMXNGM-TVYUQYBPSA-N 1 0 255.745 2.140 10 0 CEAERO C[NH2+][C@H](CCc1ccsc1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721257 180237736 /nfs/dbraw/zinc/23/77/36/180237736.db2.gz MKVNPEQUQIXYGC-KFWWJZLASA-N 1 0 280.437 2.132 10 0 CEAERO C[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721453 180238462 /nfs/dbraw/zinc/23/84/62/180238462.db2.gz GNROODLLUNULMO-QLFBSQMISA-N 1 0 280.799 2.464 10 0 CEAERO CCc1ccc([C@H]([NH2+]C)[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000091721348 180238863 /nfs/dbraw/zinc/23/88/63/180238863.db2.gz VVBABIFKLHBWCT-IKGGRYGDSA-N 1 0 274.408 2.373 10 0 CEAERO C[NH2+][C@@H](C)c1cccn1CC(=O)NCc1ccccc1 ZINC000091800458 180259361 /nfs/dbraw/zinc/25/93/61/180259361.db2.gz CKYOSOQPYZVVRA-ZDUSSCGKSA-N 1 0 271.364 2.085 10 0 CEAERO CCc1ccc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)o1 ZINC000091762787 180248483 /nfs/dbraw/zinc/24/84/83/180248483.db2.gz BJKXAEDDLGDDNJ-QWRGUYRKSA-N 1 0 250.342 2.041 10 0 CEAERO Cc1ccc(NC(=O)Cn2cccc2[C@H](C)[NH3+])cc1 ZINC000091800093 180259199 /nfs/dbraw/zinc/25/91/99/180259199.db2.gz FSEPYYUTRNZGRH-LBPRGKRZSA-N 1 0 257.337 2.455 10 0 CEAERO CC[NH2+][C@H](CC1CCC1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091722031 180240461 /nfs/dbraw/zinc/24/04/61/180240461.db2.gz OLRYOAXKPZUHSU-RBSFLKMASA-N 1 0 252.402 2.018 10 0 CEAERO CCCN(C1CCC([NH3+])CC1)S(=O)(=O)CC(C)(C)C ZINC000091852177 180272699 /nfs/dbraw/zinc/27/26/99/180272699.db2.gz LJGCAFZFDUVDAR-UHFFFAOYSA-N 1 0 290.473 2.344 10 0 CEAERO CCN(c1cc(C)cc2ncnn21)C1CCC([NH3+])CC1 ZINC000091851306 180272812 /nfs/dbraw/zinc/27/28/12/180272812.db2.gz QRLZASHCJXVBMS-UHFFFAOYSA-N 1 0 273.384 2.134 10 0 CEAERO CCCCS(=O)(=O)N(CCC)C1CCC([NH3+])CC1 ZINC000091852195 180273194 /nfs/dbraw/zinc/27/31/94/180273194.db2.gz XMHCJQKYJFNVRH-UHFFFAOYSA-N 1 0 276.446 2.098 10 0 CEAERO CCN(c1ccc(C(N)=O)cc1F)C1CCC([NH3+])CC1 ZINC000091851181 180273213 /nfs/dbraw/zinc/27/32/13/180273213.db2.gz LIWOTLRDUZBTJR-UHFFFAOYSA-N 1 0 279.359 2.021 10 0 CEAERO C[N@H+](C[C@@H](O)c1ccccc1)C1CCC2(CC1)OCCO2 ZINC000091853540 180273665 /nfs/dbraw/zinc/27/36/65/180273665.db2.gz RHKAQOKAUJNSMX-MRXNPFEDSA-N 1 0 291.391 2.338 10 0 CEAERO C[NH2+][C@H](C)c1ccn(CC(=O)Nc2ccccc2)c1 ZINC000091804199 180259722 /nfs/dbraw/zinc/25/97/22/180259722.db2.gz UUXVHNHELZPONP-GFCCVEGCSA-N 1 0 257.337 2.407 10 0 CEAERO CC[NH2+][C@H](C)c1ccn(CCC(=O)NC(C)C)c1 ZINC000091804832 180259797 /nfs/dbraw/zinc/25/97/97/180259797.db2.gz RITKNVOQQFZMMD-GFCCVEGCSA-N 1 0 251.374 2.073 10 0 CEAERO CCC[NH2+][C@H](C)c1ccn(CC(=O)N(C)CC)c1 ZINC000091806475 180260516 /nfs/dbraw/zinc/26/05/16/180260516.db2.gz MSQYSOPBTVXXAF-GFCCVEGCSA-N 1 0 251.374 2.027 10 0 CEAERO CC[C@H]([NH3+])c1ccn(CC(=O)NC(C)(C)CC)c1 ZINC000091816357 180261230 /nfs/dbraw/zinc/26/12/30/180261230.db2.gz QFDQUKGDSFFRMJ-LBPRGKRZSA-N 1 0 251.374 2.203 10 0 CEAERO CC[C@@H]([NH3+])c1ccn(CC(=O)NC(C)(C)CC)c1 ZINC000091816358 180262096 /nfs/dbraw/zinc/26/20/96/180262096.db2.gz QFDQUKGDSFFRMJ-GFCCVEGCSA-N 1 0 251.374 2.203 10 0 CEAERO CC[C@@H]([NH2+]C)c1ccn(CC(=O)NC(C)(C)C)c1 ZINC000091816818 180262702 /nfs/dbraw/zinc/26/27/02/180262702.db2.gz BOSUJWYSDJUYIZ-GFCCVEGCSA-N 1 0 251.374 2.073 10 0 CEAERO CC[NH2+][C@@H](CC)c1ccn(CC(=O)NCC(C)C)c1 ZINC000091817435 180263164 /nfs/dbraw/zinc/26/31/64/180263164.db2.gz KSPNNISERZYHKW-AWEZNQCLSA-N 1 0 265.401 2.321 10 0 CEAERO CCC[NH2+][C@@H](CC)c1ccn(CC(=O)N[C@@H](C)COC)c1 ZINC000091818318 180263429 /nfs/dbraw/zinc/26/34/29/180263429.db2.gz ITPLSAZGECMZOI-ZFWWWQNUSA-N 1 0 295.427 2.090 10 0 CEAERO CCC[NH2+][C@H](CCC)c1ccn(CC(=O)NCC)c1 ZINC000091823700 180264010 /nfs/dbraw/zinc/26/40/10/180264010.db2.gz QSOIXIQJPLCXLD-CQSZACIVSA-N 1 0 265.401 2.465 10 0 CEAERO C[NH2+][C@H](c1ccn(Cc2cc(C)nn2C)c1)C(C)C ZINC000091826782 180264489 /nfs/dbraw/zinc/26/44/89/180264489.db2.gz KQIPIQBDFRMDHZ-HNNXBMFYSA-N 1 0 260.385 2.495 10 0 CEAERO CCC[C@@H](C)NC(=O)Cn1ccc([C@H]([NH3+])C(C)C)c1 ZINC000091826317 180265096 /nfs/dbraw/zinc/26/50/96/180265096.db2.gz MKWCKYGKBHFJHM-IUODEOHRSA-N 1 0 265.401 2.449 10 0 CEAERO C[NH2+][C@H](c1ccn(CCn2ccnc2C)c1)C1CC1 ZINC000091837433 180268118 /nfs/dbraw/zinc/26/81/18/180268118.db2.gz YGXVCLXYTCCAHQ-HNNXBMFYSA-N 1 0 258.369 2.364 10 0 CEAERO CC[NH2+][C@H](c1ccn(CCC(=O)NC2CC2)c1)C1CC1 ZINC000091838013 180268363 /nfs/dbraw/zinc/26/83/63/180268363.db2.gz QPJGYUMYFOPQBY-INIZCTEOSA-N 1 0 275.396 2.217 10 0 CEAERO CC(C)n1cncc1[C@@H](O)[C@]1(C[NH3+])CCc2ccccc21 ZINC000091926467 180287604 /nfs/dbraw/zinc/28/76/04/180287604.db2.gz SQMGMLUIAQPDFD-SJORKVTESA-N 1 0 285.391 2.340 10 0 CEAERO [NH3+]Cc1cccc(-c2csc(N3CCOCC3)n2)c1 ZINC000091960299 180292555 /nfs/dbraw/zinc/29/25/55/180292555.db2.gz GHNJMHHEXKRBJP-UHFFFAOYSA-N 1 0 275.377 2.105 10 0 CEAERO C[NH2+]C1CCC(NC(=O)/C=C/c2ccc(F)cc2)CC1 ZINC000091871531 180277016 /nfs/dbraw/zinc/27/70/16/180277016.db2.gz YMQYULWZVCMXDV-NYYWCZLTSA-N 1 0 276.355 2.486 10 0 CEAERO C[NH2+]C1CCC(Nc2nc(C3CC3)ns2)CC1 ZINC000091873542 180277837 /nfs/dbraw/zinc/27/78/37/180277837.db2.gz NMGSFTDQDZKFTM-UHFFFAOYSA-N 1 0 252.387 2.358 10 0 CEAERO C[NH2+]C1CCC(NC(=O)c2cccc3[nH]ccc32)CC1 ZINC000091871795 180277897 /nfs/dbraw/zinc/27/78/97/180277897.db2.gz TZXZZGLKXVEIBD-UHFFFAOYSA-N 1 0 271.364 2.428 10 0 CEAERO CCOc1ncnc(NC2CCC([NH2+]C)CC2)c1C ZINC000091873564 180277971 /nfs/dbraw/zinc/27/79/71/180277971.db2.gz DOHUTTHAURRDOM-UHFFFAOYSA-N 1 0 264.373 2.126 10 0 CEAERO COc1ccc2ccccc2c1[C@@H](O)[C@]1(C[NH3+])CCOC1 ZINC000091908633 180284585 /nfs/dbraw/zinc/28/45/85/180284585.db2.gz HJUQTJFUHHXZKN-SJORKVTESA-N 1 0 287.359 2.247 10 0 CEAERO [NH3+]C[C@@]1([C@H](O)c2ccncc2)CCc2ccccc2C1 ZINC000091909575 180284695 /nfs/dbraw/zinc/28/46/95/180284695.db2.gz VTLFSAWXEXBMCP-IAGOWNOFSA-N 1 0 268.360 2.249 10 0 CEAERO [NH3+]C[C@]1([C@H](O)c2cccs2)CCOc2ccccc21 ZINC000091910089 180284730 /nfs/dbraw/zinc/28/47/30/180284730.db2.gz JTZLOWSCPUHDIX-HUUCEWRRSA-N 1 0 275.373 2.461 10 0 CEAERO [NH3+]C[C@]1([C@@H](O)c2ccsc2)CCOc2ccccc21 ZINC000091909751 180284838 /nfs/dbraw/zinc/28/48/38/180284838.db2.gz DMINDVDLGNTOJE-LSDHHAIUSA-N 1 0 275.373 2.461 10 0 CEAERO CCc1ccc([C@@H](O)[C@]2(C[NH3+])COc3ccccc3C2)o1 ZINC000091912450 180285080 /nfs/dbraw/zinc/28/50/80/180285080.db2.gz HCKUZGFOAPHYAZ-IAGOWNOFSA-N 1 0 287.359 2.456 10 0 CEAERO [NH3+]C[C@]1([C@H](O)c2cccc(Cl)c2Cl)CCOC1 ZINC000091910610 180285144 /nfs/dbraw/zinc/28/51/44/180285144.db2.gz FZCNHKSZIIVOOW-VXGBXAGGSA-N 1 0 276.163 2.392 10 0 CEAERO C[C@H](C[C@@H](O)C1(C[NH3+])CCOCC1)c1ccccc1 ZINC000091913793 180285231 /nfs/dbraw/zinc/28/52/31/180285231.db2.gz BHBGFILIXBHLGM-UKRRQHHQSA-N 1 0 263.381 2.297 10 0 CEAERO C[C@H](C[C@H](O)C1(C[NH3+])CCOCC1)c1ccccc1 ZINC000091913788 180285267 /nfs/dbraw/zinc/28/52/67/180285267.db2.gz BHBGFILIXBHLGM-HIFRSBDPSA-N 1 0 263.381 2.297 10 0 CEAERO CCC[C@H](C)[C@@H](O)[C@@]1(C[NH3+])COc2ccccc2C1 ZINC000091917835 180286268 /nfs/dbraw/zinc/28/62/68/180286268.db2.gz DCTOATXTIJYZQS-MAZHCROVSA-N 1 0 263.381 2.364 10 0 CEAERO [NH3+]C[C@@]1([C@H](O)Cc2ccccc2)COc2ccccc2C1 ZINC000091914065 180286308 /nfs/dbraw/zinc/28/63/08/180286308.db2.gz WZTQHCZJKAWTOH-QZTJIDSGSA-N 1 0 283.371 2.170 10 0 CEAERO [NH3+]C[C@@]1([C@]2(O)CCCOCC2)CCCc2ccccc21 ZINC000091922884 180286775 /nfs/dbraw/zinc/28/67/75/180286775.db2.gz RAVKRLBVKQUYCG-IRXDYDNUSA-N 1 0 275.392 2.151 10 0 CEAERO [NH3+]CC1([C@@H](O)c2ccc3ncccc3c2)CCOCC1 ZINC000091918139 180286940 /nfs/dbraw/zinc/28/69/40/180286940.db2.gz VXOAHUXNWKQDOW-HNNXBMFYSA-N 1 0 272.348 2.024 10 0 CEAERO C[C@@H]1CCC[C@@](C[NH3+])(C2(O)CN(C(=O)OC(C)(C)C)C2)C1 ZINC000091925231 180287356 /nfs/dbraw/zinc/28/73/56/180287356.db2.gz YCIUASMRHBUCHG-IUODEOHRSA-N 1 0 298.427 2.123 10 0 CEAERO CC[C@H]([NH3+])c1ccccc1OC[C@@H]1CN(CC)CCO1 ZINC000092050976 180311826 /nfs/dbraw/zinc/31/18/26/180311826.db2.gz VXPATPZEECWHQZ-ZFWWWQNUSA-N 1 0 278.396 2.196 10 0 CEAERO CC[C@H]([NH2+]C)c1ccccc1OC[C@H]1CN(C)CCO1 ZINC000092054146 180312824 /nfs/dbraw/zinc/31/28/24/180312824.db2.gz KPAVYRZLQPJUQG-HIFRSBDPSA-N 1 0 278.396 2.067 10 0 CEAERO CC[NH2+]Cc1cc(C)c(OC[C@H]2CN(C)CCO2)c(C)c1 ZINC000092054029 180312938 /nfs/dbraw/zinc/31/29/38/180312938.db2.gz CNRMMGWPCLSLPU-MRXNPFEDSA-N 1 0 292.423 2.122 10 0 CEAERO CCN1CCO[C@@H](COc2ccc(Cl)cc2[C@H](C)[NH3+])C1 ZINC000092051308 180313069 /nfs/dbraw/zinc/31/30/69/180313069.db2.gz NVRYZSAIBLBKOQ-WCQYABFASA-N 1 0 298.814 2.459 10 0 CEAERO CN1CCO[C@@H](COc2cccc(C[NH2+]C(C)(C)C)c2)C1 ZINC000092054523 180313967 /nfs/dbraw/zinc/31/39/67/180313967.db2.gz CHHVOCVGDUHGOK-MRXNPFEDSA-N 1 0 292.423 2.284 10 0 CEAERO CC[NH2+][C@H](C)c1ccccc1OC[C@H]1CN(C)CCO1 ZINC000092054209 180314458 /nfs/dbraw/zinc/31/44/58/180314458.db2.gz MAOBVCIZUFGJDS-ZIAGYGMSSA-N 1 0 278.396 2.067 10 0 CEAERO [NH3+]CCC[C@H]1CCCN1C(=O)N1CCCCCC1 ZINC000091971955 180295617 /nfs/dbraw/zinc/29/56/17/180295617.db2.gz DNADQRXSBQIYMS-ZDUSSCGKSA-N 1 0 253.390 2.186 10 0 CEAERO O=C(N1CCC[C@H]1[C@H]1CCC[NH2+]1)N1CCCCCC1 ZINC000091971588 180295627 /nfs/dbraw/zinc/29/56/27/180295627.db2.gz MBMRPIISAXBJBL-KGLIPLIRSA-N 1 0 265.401 2.199 10 0 CEAERO NC(=[NH2+])CN(C(=O)N1CCCCCC1)C1CCCC1 ZINC000091972045 180295677 /nfs/dbraw/zinc/29/56/77/180295677.db2.gz QBXNEIPVPXSKSS-UHFFFAOYSA-N 1 0 266.389 2.163 10 0 CEAERO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N1CCCCCC1 ZINC000091971610 180295717 /nfs/dbraw/zinc/29/57/17/180295717.db2.gz YVULULUUZQWXGH-STQMWFEESA-N 1 0 253.390 2.184 10 0 CEAERO CC1CCN(C(=O)N(C)Cc2cccc(C[NH3+])c2)CC1 ZINC000091972609 180295991 /nfs/dbraw/zinc/29/59/91/180295991.db2.gz AUAATUCXEUBRAK-UHFFFAOYSA-N 1 0 275.396 2.429 10 0 CEAERO CCCN(C(=O)N(C)CC)C1(C[NH3+])CCCCC1 ZINC000091972851 180296080 /nfs/dbraw/zinc/29/60/80/180296080.db2.gz GXSPUABTAIQWCN-UHFFFAOYSA-N 1 0 255.406 2.432 10 0 CEAERO CC1CCN(C(=O)N2CCC[C@H]2C2CC[NH2+]CC2)CC1 ZINC000091973201 180296695 /nfs/dbraw/zinc/29/66/95/180296695.db2.gz KFDXQAWLQYEPPL-HNNXBMFYSA-N 1 0 279.428 2.302 10 0 CEAERO C[C@@H]1CCCN(C(=O)N2CCCC[C@@H]2CC[NH3+])C1 ZINC000091991208 180299996 /nfs/dbraw/zinc/29/99/96/180299996.db2.gz ZFVNCJYJAFDZDG-CHWSQXEVSA-N 1 0 253.390 2.042 10 0 CEAERO CCN(C)C(=O)NC1(C(N)=[NH2+])CCCCCCC1 ZINC000091993334 180300609 /nfs/dbraw/zinc/30/06/09/180300609.db2.gz BDHNAOYCJDIAFW-UHFFFAOYSA-N 1 0 254.378 2.067 10 0 CEAERO Cc1ccc(OCC(=O)Nc2ccc(F)cc2)c(C[NH3+])n1 ZINC000091994074 180301047 /nfs/dbraw/zinc/30/10/47/180301047.db2.gz NQRFGXCZOPXZOV-UHFFFAOYSA-N 1 0 289.310 2.005 10 0 CEAERO CC[NH2+]Cc1nc(C)ccc1OCCCOCC ZINC000091994885 180301328 /nfs/dbraw/zinc/30/13/28/180301328.db2.gz GBCVFAJYTMBTQC-UHFFFAOYSA-N 1 0 252.358 2.305 10 0 CEAERO CCC[NH2+]Cc1nc(C)ccc1OCCCC(=O)OC ZINC000091995031 180302018 /nfs/dbraw/zinc/30/20/18/180302018.db2.gz JUTATAHPCTXLJY-UHFFFAOYSA-N 1 0 280.368 2.222 10 0 CEAERO Cc1noc(C)c1COc1ccc(C)nc1CC[NH3+] ZINC000091999582 180303653 /nfs/dbraw/zinc/30/36/53/180303653.db2.gz QOPOGWLXDWYNAR-UHFFFAOYSA-N 1 0 261.325 2.075 10 0 CEAERO CC[C@@H]([NH3+])Cc1nc(C)ccc1OCCn1ccnc1C ZINC000092000379 180303698 /nfs/dbraw/zinc/30/36/98/180303698.db2.gz XNHSDKHEQGQLGO-CQSZACIVSA-N 1 0 288.395 2.254 10 0 CEAERO CC[NH2+][C@H](C=C(C)C)[C@@](C)(CC)N1CCOCC1 ZINC000092128189 180329251 /nfs/dbraw/zinc/32/92/51/180329251.db2.gz BJTWREICYXULOT-HUUCEWRRSA-N 1 0 254.418 2.432 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)N(Cc1ccccc1)CC(F)(F)F ZINC000092134183 180332115 /nfs/dbraw/zinc/33/21/15/180332115.db2.gz IKYQIXDQYLBPNP-NSHDSACASA-N 1 0 288.313 2.433 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)Nc1cc(OC)ccc1Cl ZINC000092136465 180333012 /nfs/dbraw/zinc/33/30/12/180333012.db2.gz PAOYDLGATXDLQZ-QMMMGPOBSA-N 1 0 256.733 2.143 10 0 CEAERO Cc1nn(-c2cc(F)c(F)c(F)c2)c(C)c1C[NH3+] ZINC000092150292 180334114 /nfs/dbraw/zinc/33/41/14/180334114.db2.gz VVWRRHUYOMCKRV-UHFFFAOYSA-N 1 0 255.243 2.365 10 0 CEAERO CCc1c(C[NH3+])cnn1-c1cc(F)c(F)c(F)c1 ZINC000092150644 180334189 /nfs/dbraw/zinc/33/41/89/180334189.db2.gz WHSQIRMVAPVYDP-UHFFFAOYSA-N 1 0 255.243 2.311 10 0 CEAERO C[C@@H]1C[NH+](CCC(=O)Nc2cccc(N)c2)C[C@H]1C ZINC000092080548 180318603 /nfs/dbraw/zinc/31/86/03/180318603.db2.gz GZUFMAHWLKPBSM-VXGBXAGGSA-N 1 0 261.369 2.185 10 0 CEAERO Cc1c(N)cccc1NC(=O)CC[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000092081724 180319621 /nfs/dbraw/zinc/31/96/21/180319621.db2.gz CZGFLZWWUQOEKA-TXEJJXNPSA-N 1 0 275.396 2.494 10 0 CEAERO COc1ccc([C@H](C[NH3+])N2C[C@H](C)[C@@H](C)C2)cc1F ZINC000092082309 180319924 /nfs/dbraw/zinc/31/99/24/180319924.db2.gz MDWVQPIAFADPOJ-MJVIPROJSA-N 1 0 266.360 2.422 10 0 CEAERO CCCN[C@](C)(CCC[N@@H+]1C[C@H](C)[C@H](C)C1)C(=O)OC ZINC000092087515 180321297 /nfs/dbraw/zinc/32/12/97/180321297.db2.gz RBALNQUVOGUIHI-IJEWVQPXSA-N 1 0 284.444 2.286 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)NCc2cccc(C(F)(F)F)c2)C1 ZINC000092201270 180342783 /nfs/dbraw/zinc/34/27/83/180342783.db2.gz AMUXQYDEHUUXHL-CMPLNLGQSA-N 1 0 284.281 2.225 10 0 CEAERO CN(C)c1c(Cl)cccc1NC(=O)[C@H]1C=C[C@H]([NH3+])C1 ZINC000092202296 180342889 /nfs/dbraw/zinc/34/28/89/180342889.db2.gz RVVJKMSRIRZOGD-UWVGGRQHSA-N 1 0 279.771 2.248 10 0 CEAERO CC(C)C(=O)Nc1ccc(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)cc1 ZINC000092202693 180343503 /nfs/dbraw/zinc/34/35/03/180343503.db2.gz HZUCUOVWHUUHBT-NWDGAFQWSA-N 1 0 287.363 2.123 10 0 CEAERO Cc1ccc(CN(C)C(=O)[C@@H]2C=C[C@@H]([NH3+])C2)c(C)c1 ZINC000092204818 180343616 /nfs/dbraw/zinc/34/36/16/180343616.db2.gz UZENFKHCLRIARG-UKRRQHHQSA-N 1 0 258.365 2.165 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)Nc2ccc(OC(F)F)c(F)c2)C1 ZINC000092204166 180343626 /nfs/dbraw/zinc/34/36/26/180343626.db2.gz KFOKPICWYDYQRP-SFYZADRCSA-N 1 0 286.253 2.269 10 0 CEAERO CN(Cc1cccc(Cl)c1)C(=O)[C@@H]1C=C[C@H]([NH3+])C1 ZINC000092204436 180343631 /nfs/dbraw/zinc/34/36/31/180343631.db2.gz WWEWRIQNQNUXFO-YPMHNXCESA-N 1 0 264.756 2.202 10 0 CEAERO COc1ccc(NC(=O)[C@H]2C=C[C@H]([NH3+])C2)cc1OC(F)F ZINC000092203787 180343862 /nfs/dbraw/zinc/34/38/62/180343862.db2.gz IKRASLDAUISIFJ-IUCAKERBSA-N 1 0 298.289 2.139 10 0 CEAERO CCCCN(CC(F)(F)F)C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092205064 180344153 /nfs/dbraw/zinc/34/41/53/180344153.db2.gz DGRNSCAITTTZEN-NXEZZACHSA-N 1 0 264.291 2.081 10 0 CEAERO Cc1ccc2cccc(NC(=O)[C@@H]3C=C[C@@H]([NH3+])C3)c2n1 ZINC000092207454 180344224 /nfs/dbraw/zinc/34/42/24/180344224.db2.gz IQLCQANDQJCACI-CHWSQXEVSA-N 1 0 267.332 2.385 10 0 CEAERO CC(C)[C@@H]1CCCN(C(=O)[C@H]2C=C[C@@H]([NH3+])C2)CC1 ZINC000092207963 180344644 /nfs/dbraw/zinc/34/46/44/180344644.db2.gz HMJKVQZSGNNTBZ-HZSPNIEDSA-N 1 0 250.386 2.175 10 0 CEAERO CSc1ccccc1C(=O)N1[C@H](C)C[C@H]2C[NH2+]C[C@@H]21 ZINC000092231719 180347810 /nfs/dbraw/zinc/34/78/10/180347810.db2.gz LJTAQERVAYMZOT-MDZLAQPJSA-N 1 0 276.405 2.231 10 0 CEAERO CCOC(=O)CC[NH2+]C[C@@H]1Cc2ccccc2S1 ZINC000092243778 180351497 /nfs/dbraw/zinc/35/14/97/180351497.db2.gz TWDMNWZIOSHSDR-LBPRGKRZSA-N 1 0 265.378 2.246 10 0 CEAERO C[NH2+]Cc1nnc([C@H]2CSc3ccccc32)s1 ZINC000092240659 180351626 /nfs/dbraw/zinc/35/16/26/180351626.db2.gz NQQDZMFVCUJCBH-VIFPVBQESA-N 1 0 263.391 2.495 10 0 CEAERO Cn1ccnc1CC[NH2+]CCSc1ccccc1 ZINC000092243736 180351883 /nfs/dbraw/zinc/35/18/83/180351883.db2.gz BVTUJOYNLOLFCC-UHFFFAOYSA-N 1 0 261.394 2.345 10 0 CEAERO CCC[NH2+]Cc1ncnn1C[C@@H]1Cc2ccccc2S1 ZINC000092271266 180355795 /nfs/dbraw/zinc/35/57/95/180355795.db2.gz ZYNWIGNGEJSZIX-ZDUSSCGKSA-N 1 0 288.420 2.495 10 0 CEAERO C[C@]1([NH2+]C[C@@H]2CSc3ccccc32)CCS(=O)(=O)C1 ZINC000092275306 180356287 /nfs/dbraw/zinc/35/62/87/180356287.db2.gz JFHVUADXTJAJIU-RISCZKNCSA-N 1 0 297.445 2.043 10 0 CEAERO C[C@@H](CCO)C[NH2+]C[C@@H]1CSc2ccccc21 ZINC000092275797 180356380 /nfs/dbraw/zinc/35/63/80/180356380.db2.gz QVOARPOJCPCNED-NWDGAFQWSA-N 1 0 251.395 2.484 10 0 CEAERO C[NH2+]Cc1ccn(C[C@H]2Cc3ccccc3S2)n1 ZINC000092271939 180356381 /nfs/dbraw/zinc/35/63/81/180356381.db2.gz FMSODJZNTCWDSA-CYBMUJFWSA-N 1 0 259.378 2.320 10 0 CEAERO CCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CSc2ccccc21 ZINC000092275129 180356565 /nfs/dbraw/zinc/35/65/65/180356565.db2.gz JZZCSQDHGIYWQL-NWDGAFQWSA-N 1 0 278.421 2.380 10 0 CEAERO C[C@H]1[NH2+]CCCN(C[C@@H]2CSc3ccccc32)C1=O ZINC000092292893 180357581 /nfs/dbraw/zinc/35/75/81/180357581.db2.gz MHBYGXLBLQQZSV-VXGBXAGGSA-N 1 0 276.405 2.086 10 0 CEAERO CC[NH2+]Cc1ncnn1C[C@@H]1CSc2ccccc21 ZINC000092294606 180357685 /nfs/dbraw/zinc/35/76/85/180357685.db2.gz ADRNYIOPGYRFBS-LLVKDONJSA-N 1 0 274.393 2.277 10 0 CEAERO CCN(CC)C[C@@H](C)[NH2+]C[C@@H]1COc2ccccc21 ZINC000092300576 180358542 /nfs/dbraw/zinc/35/85/42/180358542.db2.gz LNMFXYCNZVTKFQ-ZIAGYGMSSA-N 1 0 262.397 2.483 10 0 CEAERO C[C@@H](Cn1ccnc1)[NH2+]C[C@H]1COc2ccccc21 ZINC000092300149 180358621 /nfs/dbraw/zinc/35/86/21/180358621.db2.gz MTADMULGFDIFLX-STQMWFEESA-N 1 0 257.337 2.037 10 0 CEAERO CC[N@H+](CCC(N)=S)C[C@H]1COc2ccccc21 ZINC000092301754 180359192 /nfs/dbraw/zinc/35/91/92/180359192.db2.gz XWONAYKHMIARAR-NSHDSACASA-N 1 0 264.394 2.161 10 0 CEAERO Cc1ccccc1C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105882579 186082742 /nfs/dbraw/zinc/08/27/42/186082742.db2.gz AOAPEIPBATZXGE-HNNXBMFYSA-N 1 0 270.380 2.499 10 0 CEAERO CC(C)n1c2ccc(C[NH3+])cc2nc1CCCCO ZINC000092171453 180336648 /nfs/dbraw/zinc/33/66/48/180336648.db2.gz COWGSBIFQAFMSV-UHFFFAOYSA-N 1 0 261.369 2.391 10 0 CEAERO O[C@H](Cc1ccccc1)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886909 186083926 /nfs/dbraw/zinc/08/39/26/186083926.db2.gz FPFKVPKIENWENS-GOSISDBHSA-N 1 0 299.418 2.199 10 0 CEAERO COc1cccc(-c2noc([C@H]3C=C[C@@H]([NH3+])C3)n2)c1 ZINC000092181413 180338208 /nfs/dbraw/zinc/33/82/08/180338208.db2.gz CIZXOBGUORSMNU-WDEREUQCSA-N 1 0 257.293 2.116 10 0 CEAERO C[C@@H](O)CN1CC[N@H+](CCCc2ccccc2)C[C@@H]1C ZINC000105823342 186073968 /nfs/dbraw/zinc/07/39/68/186073968.db2.gz LCEHHHFAZHYQIU-JKSUJKDBSA-N 1 0 276.424 2.006 10 0 CEAERO Cc1ccc(Cc2noc([C@@H]3C=C[C@H]([NH3+])C3)n2)cc1 ZINC000092181692 180338801 /nfs/dbraw/zinc/33/88/01/180338801.db2.gz SXNPRJBKLVLGTE-OLZOCXBDSA-N 1 0 255.321 2.340 10 0 CEAERO CC(C)CCOCC[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000105919348 186089856 /nfs/dbraw/zinc/08/98/56/186089856.db2.gz OOSMSZHQKDAXMS-OAHLLOKOSA-N 1 0 280.416 2.053 10 0 CEAERO CCCC[C@@H](C(=O)OC)[NH+]1CCC(Cn2cccn2)CC1 ZINC000105920072 186091331 /nfs/dbraw/zinc/09/13/31/186091331.db2.gz SJYGXNUMYUXELD-HNNXBMFYSA-N 1 0 293.411 2.327 10 0 CEAERO Cc1nn(-c2cc(C)ncn2)c(C)c1[C@@H](C)C[NH2+]C1CC1 ZINC000092322803 180362495 /nfs/dbraw/zinc/36/24/95/180362495.db2.gz UPOORKKADAUGGO-JTQLQIEISA-N 1 0 285.395 2.443 10 0 CEAERO Cc1noc(C)c1CNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000092330289 180363514 /nfs/dbraw/zinc/36/35/14/180363514.db2.gz DJNPDFWVRARJGR-QEJZJMRPSA-N 1 0 291.395 2.218 10 0 CEAERO Cc1noc(C)c1[C@@H](C)NC(=O)C[NH2+]C1CCCC1 ZINC000092329249 180363609 /nfs/dbraw/zinc/36/36/09/180363609.db2.gz RWTHBJLEXCVBBZ-SECBINFHSA-N 1 0 265.357 2.001 10 0 CEAERO Cc1noc(C)c1[C@H](C)NC(=O)CC1([NH3+])CCCC1 ZINC000092330169 180363781 /nfs/dbraw/zinc/36/37/81/180363781.db2.gz NYGHOMUXNKDLSW-VIFPVBQESA-N 1 0 265.357 2.130 10 0 CEAERO COc1ccc([C@@H](C[NH3+])NCc2ccccc2)c(OC)c1 ZINC000106024122 186098218 /nfs/dbraw/zinc/09/82/18/186098218.db2.gz NOUSXWVIVPRDOE-MRXNPFEDSA-N 1 0 286.375 2.493 10 0 CEAERO Cc1nn(C)c(C)c1CN1CC[C@@H](C[NH2+]CC(C)C)C1 ZINC000092339836 180364878 /nfs/dbraw/zinc/36/48/78/180364878.db2.gz OCFOFCVERWOLRB-HNNXBMFYSA-N 1 0 278.444 2.104 10 0 CEAERO O=C1C[C@H]([NH2+]C[C@H]2CC=CCC2)C(=O)N1c1ccccc1 ZINC000106257840 186105744 /nfs/dbraw/zinc/10/57/44/186105744.db2.gz UBNINGLCPXVRSI-ZFWWWQNUSA-N 1 0 284.359 2.264 10 0 CEAERO Cn1c(C[NH3+])nnc1SCc1ccnc2ccccc12 ZINC000092348247 180367624 /nfs/dbraw/zinc/36/76/24/180367624.db2.gz FNFPLVHYWZHRNH-UHFFFAOYSA-N 1 0 285.376 2.114 10 0 CEAERO CNc1cccc(CN2CC[C@@H]([NH+]3CCCCC3)C2)n1 ZINC000092370628 180369954 /nfs/dbraw/zinc/36/99/54/180369954.db2.gz VUXUVTJUAQMSOF-OAHLLOKOSA-N 1 0 274.412 2.184 10 0 CEAERO COCc1cccc(OCc2cccc(NN)[nH+]2)c1 ZINC000092371871 180370699 /nfs/dbraw/zinc/37/06/99/180370699.db2.gz AMPXXZWNMKCLRC-UHFFFAOYSA-N 1 0 259.309 2.093 10 0 CEAERO COc1cccc(COCc2cccc(NN)[nH+]2)c1 ZINC000092371447 180371020 /nfs/dbraw/zinc/37/10/20/180371020.db2.gz OIBGQBDFUJETMX-UHFFFAOYSA-N 1 0 259.309 2.093 10 0 CEAERO CCC[C@H](CC)[NH2+][C@H]1CC(=O)N(c2ccccc2)C1=O ZINC000106534156 186125528 /nfs/dbraw/zinc/12/55/28/186125528.db2.gz WEPXBROKKUFCKY-JSGCOSHPSA-N 1 0 274.364 2.487 10 0 CEAERO CCCNc1cc[nH+]c(Cn2ccc(C)cc2=O)c1 ZINC000092419790 180382470 /nfs/dbraw/zinc/38/24/70/180382470.db2.gz HATBMSFSGUJIFP-UHFFFAOYSA-N 1 0 257.337 2.422 10 0 CEAERO Cc1[nH+]c(-c2ccc3c(c2)OCCCO3)c(N)n1C ZINC000106830930 186137803 /nfs/dbraw/zinc/13/78/03/186137803.db2.gz WIRQMOSUKYMJNQ-UHFFFAOYSA-N 1 0 259.309 2.139 10 0 CEAERO CC[NH2+][C@H]1c2cc(OC)ccc2CC[C@H]1N(C)CCOC ZINC000092385713 180373740 /nfs/dbraw/zinc/37/37/40/180373740.db2.gz XQOFVVFOVTTYMD-SJORKVTESA-N 1 0 292.423 2.239 10 0 CEAERO C[NH2+][C@@H]1c2cc(OC)ccc2CC[C@H]1OC[C@@H]1CCCO1 ZINC000092386461 180373918 /nfs/dbraw/zinc/37/39/18/180373918.db2.gz ZVQRIRDYEWZEIX-USXIJHARSA-N 1 0 291.391 2.466 10 0 CEAERO COc1cccc(CC[NH3+])c1OCc1cccc(C)n1 ZINC000092431864 180384428 /nfs/dbraw/zinc/38/44/28/180384428.db2.gz AVIVORLLGXZMMF-UHFFFAOYSA-N 1 0 272.348 2.479 10 0 CEAERO OCC[C@@H]1CC[N@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000130504106 365963196 /nfs/dbraw/zinc/96/31/96/365963196.db2.gz VNHRXHQAOFIPON-NSHDSACASA-N 1 0 281.783 2.479 10 0 CEAERO Cc1ccnc(NCC[NH2+]C2CC2)c1Br ZINC000235932743 539801236 /nfs/dbraw/zinc/80/12/36/539801236.db2.gz ACBNDLRAJMKDIF-UHFFFAOYSA-N 1 0 270.174 2.316 10 0 CEAERO CC[C@H]1CN(c2ccc(Br)cn2)CC[C@@H]1[NH3+] ZINC000147538024 539802276 /nfs/dbraw/zinc/80/22/76/539802276.db2.gz AVKGSQOJHLKTGM-ONGXEEELSA-N 1 0 284.201 2.408 10 0 CEAERO C[N@H+](CCC(F)(F)F)C[C@H](O)c1ccc2c(c1)OCO2 ZINC000109120399 186244330 /nfs/dbraw/zinc/24/43/30/186244330.db2.gz PJTYTAPQZIKBKZ-JTQLQIEISA-N 1 0 291.269 2.333 10 0 CEAERO CC[C@@H]1CN(c2ccc(Br)cn2)CC[C@@H]1[NH3+] ZINC000147537852 539802557 /nfs/dbraw/zinc/80/25/57/539802557.db2.gz AVKGSQOJHLKTGM-KOLCDFICSA-N 1 0 284.201 2.408 10 0 CEAERO CCOc1ccccc1[C@@H](O)CN(C)C[C@@H]1CCC[N@@H+]1C ZINC000092665847 180426441 /nfs/dbraw/zinc/42/64/41/180426441.db2.gz OHRKCJMRDZZXEP-HOCLYGCPSA-N 1 0 292.423 2.145 10 0 CEAERO COC[C@H](C)N(C)c1ncc(C[NH2+]C(C)C)s1 ZINC000054906730 522599146 /nfs/dbraw/zinc/59/91/46/522599146.db2.gz UQUYYNOHQSYOHL-JTQLQIEISA-N 1 0 257.403 2.112 10 0 CEAERO CC[NH2+][C@@H](COC)Cc1nc(-c2ccc(CC)cc2)no1 ZINC000109505966 186257183 /nfs/dbraw/zinc/25/71/83/186257183.db2.gz RIZKEIUWYPKKME-CQSZACIVSA-N 1 0 289.379 2.466 10 0 CEAERO COc1cccc(-c2noc(C[C@@H]([NH3+])C(C)C)n2)c1 ZINC000109503938 186257247 /nfs/dbraw/zinc/25/72/47/186257247.db2.gz LVPRKVWKVWXAIA-GFCCVEGCSA-N 1 0 261.325 2.271 10 0 CEAERO CC[C@H](Cc1nc(-c2cccc(OC)c2)no1)[NH2+]C ZINC000109504043 186257697 /nfs/dbraw/zinc/25/76/97/186257697.db2.gz PKCOPLMQWFTKKB-LLVKDONJSA-N 1 0 261.325 2.286 10 0 CEAERO CC[NH2+][C@H]1CCC[C@H]1c1nc(Cc2ccccn2)no1 ZINC000109499602 186257786 /nfs/dbraw/zinc/25/77/86/186257786.db2.gz PMRWGQBWBOFMKQ-OLZOCXBDSA-N 1 0 272.352 2.301 10 0 CEAERO NNc1[nH+]c(-c2ccc(O)cc2)nc2c1CCCCC2 ZINC000109522516 186259049 /nfs/dbraw/zinc/25/90/49/186259049.db2.gz GXMDNKVKEMJFPY-UHFFFAOYSA-N 1 0 270.336 2.404 10 0 CEAERO CC[NH2+][C@@H](CC)Cc1nc(CC(F)(F)F)no1 ZINC000109517320 186259121 /nfs/dbraw/zinc/25/91/21/186259121.db2.gz KRDAWOWCFIGFBB-ZETCQYMHSA-N 1 0 251.252 2.105 10 0 CEAERO CCC[NH2+][C@H](C)CCc1nc(COCCC)no1 ZINC000109519841 186259233 /nfs/dbraw/zinc/25/92/33/186259233.db2.gz PVPYZOHGCOPWME-LLVKDONJSA-N 1 0 255.362 2.317 10 0 CEAERO CCC[NH2+][C@@H](C)Cc1nc(CC(F)(F)F)no1 ZINC000109517291 186259270 /nfs/dbraw/zinc/25/92/70/186259270.db2.gz YXAZRVAFJPCZLD-ZETCQYMHSA-N 1 0 251.252 2.105 10 0 CEAERO CC[NH2+][C@@H]1CCC[C@@H]1c1nc(CC(F)(F)F)no1 ZINC000109517258 186259463 /nfs/dbraw/zinc/25/94/63/186259463.db2.gz YQZFZVNQAPTITG-JGVFFNPUSA-N 1 0 263.263 2.420 10 0 CEAERO Clc1cc(C[NH2+][C@@H]2CCCOC2)cc2c1OCO2 ZINC000109544515 186261826 /nfs/dbraw/zinc/26/18/26/186261826.db2.gz UYPGKXHKSQPAPM-SNVBAGLBSA-N 1 0 269.728 2.337 10 0 CEAERO C[C@H]([NH3+])c1cccc(NC(=O)N[C@@H]2CCCOC2)c1 ZINC000109552760 186262735 /nfs/dbraw/zinc/26/27/35/186262735.db2.gz BXVBUTIWOWNRFX-GXFFZTMASA-N 1 0 263.341 2.007 10 0 CEAERO CCOC(=O)C[C@@H](C)[NH2+]Cc1ccc(OC)cc1OC ZINC000109554099 186263023 /nfs/dbraw/zinc/26/30/23/186263023.db2.gz MDXBLXAQRLGGBR-LLVKDONJSA-N 1 0 281.352 2.135 10 0 CEAERO c1ncn(-c2cc(C[NH2+]C3CC3)nc3ccccc32)n1 ZINC000109589694 186265127 /nfs/dbraw/zinc/26/51/27/186265127.db2.gz NYLGRUXBGAXHAD-UHFFFAOYSA-N 1 0 265.320 2.068 10 0 CEAERO C[NH2+]Cc1cc(OC[C@@H]2CCOC2)c2ccccc2n1 ZINC000109590752 186265230 /nfs/dbraw/zinc/26/52/30/186265230.db2.gz OXZQFHLZKGFCNG-GFCCVEGCSA-N 1 0 272.348 2.370 10 0 CEAERO C[C@@H](C(N)=S)[NH+]1CCN(Cc2ccccc2Cl)CC1 ZINC000109468582 186253830 /nfs/dbraw/zinc/25/38/30/186253830.db2.gz RGMRRFVVXQNHJX-NSHDSACASA-N 1 0 297.855 2.132 10 0 CEAERO CCc1nc([C@H](CC)N2CC[NH2+]CC2)sc1C ZINC000109472541 186254904 /nfs/dbraw/zinc/25/49/04/186254904.db2.gz VFPXYTPXGHEDPI-LBPRGKRZSA-N 1 0 253.415 2.370 10 0 CEAERO C[C@H](c1nc(-c2ccco2)cs1)N1CC[NH2+]CC1 ZINC000109472043 186254922 /nfs/dbraw/zinc/25/49/22/186254922.db2.gz FXAXFXBMXYJQSW-SNVBAGLBSA-N 1 0 263.366 2.369 10 0 CEAERO Cc1nc2ccccc2c(CN2CC[NH2+]CC2)c1C ZINC000109476695 186254953 /nfs/dbraw/zinc/25/49/53/186254953.db2.gz BMOKDGOZGOWNRB-UHFFFAOYSA-N 1 0 255.365 2.257 10 0 CEAERO CCC[C@H](c1nccc(C(C)C)n1)N1CC[NH2+]CC1 ZINC000109475989 186255054 /nfs/dbraw/zinc/25/50/54/186255054.db2.gz UYXLNXBBBPMOLJ-CQSZACIVSA-N 1 0 262.401 2.346 10 0 CEAERO C[C@@H](c1nc(-c2ccncc2)cs1)N1CC[NH2+]CC1 ZINC000109471992 186255273 /nfs/dbraw/zinc/25/52/73/186255273.db2.gz CNLQFXMSIDJPIL-NSHDSACASA-N 1 0 274.393 2.171 10 0 CEAERO CN[C@](C)(CC[N@H+](CCC(C)C)C1CC1)C(=O)OC ZINC000109956593 186281108 /nfs/dbraw/zinc/28/11/08/186281108.db2.gz OAVPIOHMQUVYCG-OAHLLOKOSA-N 1 0 270.417 2.038 10 0 CEAERO COC(=O)[C@@H](C[N@H+](CCC(C)C)C1CC1)NC(C)C ZINC000109999571 186281745 /nfs/dbraw/zinc/28/17/45/186281745.db2.gz FHKGWORVLOHNFK-CQSZACIVSA-N 1 0 270.417 2.037 10 0 CEAERO C[NH+](C)[C@H]1CCN(c2cc(Cl)ccc2C(N)=S)C1 ZINC000110278337 186289796 /nfs/dbraw/zinc/28/97/96/186289796.db2.gz OCOMDCRQBPXRKW-JTQLQIEISA-N 1 0 283.828 2.115 10 0 CEAERO Cc1ccc(C(N)=S)c(N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000110278494 186289978 /nfs/dbraw/zinc/28/99/78/186289978.db2.gz PCKXMVLLSJXNFB-CYBMUJFWSA-N 1 0 289.448 2.304 10 0 CEAERO CCOC(=O)c1ccoc1CN1CCC([C@H](C)[NH3+])CC1 ZINC000110650117 186310429 /nfs/dbraw/zinc/31/04/29/186310429.db2.gz UAPTWMJERHZDGY-NSHDSACASA-N 1 0 280.368 2.016 10 0 CEAERO Cc1nnc(S[C@@H](c2ccccc2)[C@@H](C)[NH3+])n1C ZINC000110353351 186293790 /nfs/dbraw/zinc/29/37/90/186293790.db2.gz ZCMXTCPHINTPMM-BXKDBHETSA-N 1 0 262.382 2.304 10 0 CEAERO CCc1[nH+]c2cc(OC)c(OC)c(OC)c2c(NN)c1C ZINC000110480165 186299426 /nfs/dbraw/zinc/29/94/26/186299426.db2.gz OTMAUMVUMLRDRF-UHFFFAOYSA-N 1 0 291.351 2.417 10 0 CEAERO CCOc1ccccc1[C@H](CO[C@@H]1CCOC1)[NH2+]C ZINC000110526742 186300992 /nfs/dbraw/zinc/30/09/92/186300992.db2.gz FFHFUIVWSZWVAW-OCCSQVGLSA-N 1 0 265.353 2.151 10 0 CEAERO C[NH2+]C[C@H](O[C@@H]1CCOC1)c1cccc(Cl)c1 ZINC000110529567 186301735 /nfs/dbraw/zinc/30/17/35/186301735.db2.gz FNYBLYJHKCOREI-OLZOCXBDSA-N 1 0 255.745 2.406 10 0 CEAERO CCC[NH2+]Cc1c(C)cc(C)nc1O[C@@H]1CCOC1 ZINC000110532410 186301857 /nfs/dbraw/zinc/30/18/57/186301857.db2.gz ZTDNHIUSWDEMJV-CYBMUJFWSA-N 1 0 264.369 2.366 10 0 CEAERO O=C(CC[C@@H]1CCCC[NH2+]1)Nc1nc2ccccc2[nH]1 ZINC000110538195 186301965 /nfs/dbraw/zinc/30/19/65/186301965.db2.gz CUPSUCRHFPEXOC-NSHDSACASA-N 1 0 272.352 2.424 10 0 CEAERO O=C(CC[C@H]1CCCC[NH2+]1)Nc1nc2ccccc2[nH]1 ZINC000110538197 186302195 /nfs/dbraw/zinc/30/21/95/186302195.db2.gz CUPSUCRHFPEXOC-LLVKDONJSA-N 1 0 272.352 2.424 10 0 CEAERO C[C@@H]1CCCN(C(=O)Cc2ccc(C[NH3+])cc2)[C@H]1C ZINC000110613880 186305500 /nfs/dbraw/zinc/30/55/00/186305500.db2.gz UQLUKPQTMFAOEZ-OLZOCXBDSA-N 1 0 260.381 2.335 10 0 CEAERO C[C@@H]1CCCN(C(=O)CC2CCC(C[NH3+])CC2)C1 ZINC000110617115 186305909 /nfs/dbraw/zinc/30/59/09/186305909.db2.gz IMPXVHFAJGFQPH-IYXRBSQSSA-N 1 0 252.402 2.400 10 0 CEAERO CC[N@@H+]1CCC[C@H](Nc2cc(OC)c(F)cc2N)C1 ZINC000110626886 186306575 /nfs/dbraw/zinc/30/65/75/186306575.db2.gz LSENRJICLDFKRU-JTQLQIEISA-N 1 0 267.348 2.313 10 0 CEAERO CC[NH+]1CCC(N(C)c2cc(OC)c(F)cc2N)CC1 ZINC000110627285 186306666 /nfs/dbraw/zinc/30/66/66/186306666.db2.gz CPZCYEXFKFIHNU-UHFFFAOYSA-N 1 0 281.375 2.337 10 0 CEAERO COCCCCn1c(N)[nH+]c2cc(F)c(OC)cc21 ZINC000110629956 186307716 /nfs/dbraw/zinc/30/77/16/186307716.db2.gz NZGBLLCSTBLGMH-UHFFFAOYSA-N 1 0 267.304 2.193 10 0 CEAERO COc1cc2c(cc1F)[nH+]c(N)n2Cc1cccnc1 ZINC000110629345 186307944 /nfs/dbraw/zinc/30/79/44/186307944.db2.gz XDVQVZOTYJRXPH-UHFFFAOYSA-N 1 0 272.283 2.210 10 0 CEAERO c1ccc2c(c1)cnnc2NCC[C@H]1CCC[NH2+]C1 ZINC000110793564 186325055 /nfs/dbraw/zinc/32/50/55/186325055.db2.gz MCVFYOXQTDBHMG-GFCCVEGCSA-N 1 0 256.353 2.431 10 0 CEAERO OC[C@]1([NH2+]C2CC2)CCc2cc(Br)ccc2C1 ZINC000110831651 186328561 /nfs/dbraw/zinc/32/85/61/186328561.db2.gz RMQJCCGVKYGHPO-AWEZNQCLSA-N 1 0 296.208 2.421 10 0 CEAERO Cc1ccccc1[C@@H](SCCS(C)(=O)=O)[C@@H](C)[NH3+] ZINC000111004185 186341357 /nfs/dbraw/zinc/34/13/57/186341357.db2.gz RADCNPBDYZNHKW-YPMHNXCESA-N 1 0 287.450 2.161 10 0 CEAERO NC(=[NH2+])c1cc(F)ccc1CSc1cnccn1 ZINC000110913530 186332003 /nfs/dbraw/zinc/33/20/03/186332003.db2.gz WOQLBYVZFXTHCO-UHFFFAOYSA-N 1 0 262.313 2.192 10 0 CEAERO CC[NH2+][C@H]1c2ccc(Sc3cnccn3)cc2NC1=O ZINC000110913642 186332106 /nfs/dbraw/zinc/33/21/06/186332106.db2.gz FZSCAAKSBFLWEB-ZDUSSCGKSA-N 1 0 286.360 2.231 10 0 CEAERO CN(CCOc1ccc(Cl)cc1)[C@H]1CCC[NH2+]C1 ZINC000110931287 186333344 /nfs/dbraw/zinc/33/33/44/186333344.db2.gz KXUPBXDSAVPOGY-ZDUSSCGKSA-N 1 0 268.788 2.403 10 0 CEAERO CN(C(=O)CCCc1cccs1)[C@@H]1CCC[NH2+]C1 ZINC000110926888 186333411 /nfs/dbraw/zinc/33/34/11/186333411.db2.gz QPXXRLOYMZYCGO-GFCCVEGCSA-N 1 0 266.410 2.281 10 0 CEAERO CCCc1ccc(NC(=O)CN(C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000110932081 186333699 /nfs/dbraw/zinc/33/36/99/186333699.db2.gz SSDQBXPTHHQCLJ-MRXNPFEDSA-N 1 0 289.423 2.261 10 0 CEAERO CCN(C(=O)c1cccc2cccnc21)[C@@H]1CCC[NH2+]C1 ZINC000110939426 186334235 /nfs/dbraw/zinc/33/42/35/186334235.db2.gz VWURJALBTFALFD-CQSZACIVSA-N 1 0 283.375 2.449 10 0 CEAERO CCCN(C(=O)c1n[nH]c2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000110940583 186334364 /nfs/dbraw/zinc/33/43/64/186334364.db2.gz DIHPAOPGJAOFNY-LBPRGKRZSA-N 1 0 286.379 2.167 10 0 CEAERO CCCN(C[C@H](O)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000110945669 186335317 /nfs/dbraw/zinc/33/53/17/186335317.db2.gz JAPBWSFGPSXUMC-CVEARBPZSA-N 1 0 262.397 2.184 10 0 CEAERO CCCN(C[C@@H]1COc2ccccc2O1)[C@@H]1CCC[NH2+]C1 ZINC000110946657 186335456 /nfs/dbraw/zinc/33/54/56/186335456.db2.gz PNXLADOAEFJUBL-HUUCEWRRSA-N 1 0 290.407 2.290 10 0 CEAERO CCN(CCOc1cccc(C)c1)[C@H]1CCC[NH2+]C1 ZINC000110944677 186335796 /nfs/dbraw/zinc/33/57/96/186335796.db2.gz CPEPGKWMKFLKEV-HNNXBMFYSA-N 1 0 262.397 2.448 10 0 CEAERO C[NH2+][C@H](C)c1ccc(C)cc1O[C@H]1CCCCNC1=O ZINC000110959954 186336415 /nfs/dbraw/zinc/33/64/15/186336415.db2.gz REKVFULCJJBSNV-OCCSQVGLSA-N 1 0 276.380 2.323 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(C)cc1OC[C@@H](C)C(N)=O ZINC000110960660 186336493 /nfs/dbraw/zinc/33/64/93/186336493.db2.gz YBPAEEKEGJCQGM-VXGBXAGGSA-N 1 0 264.369 2.166 10 0 CEAERO CCC[NH2+][C@H](C)c1ccc(C)cc1OCCS(C)(=O)=O ZINC000110961436 186337903 /nfs/dbraw/zinc/33/79/03/186337903.db2.gz BCLNOLMBMUNAGJ-CYBMUJFWSA-N 1 0 299.436 2.479 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccc(C)s1)N1CCNC(=O)[C@@H]1CC ZINC000110677353 186311974 /nfs/dbraw/zinc/31/19/74/186311974.db2.gz HTSJYPIGMBYLEW-MBNYWOFBSA-N 1 0 295.452 2.045 10 0 CEAERO C[NH2+][C@H](C)c1ccc(NC(=O)N2CCN(C)[C@@H](C)C2)cc1 ZINC000110694725 186313433 /nfs/dbraw/zinc/31/34/33/186313433.db2.gz YVMXUQFRXVJRLD-QWHCGFSZSA-N 1 0 290.411 2.135 10 0 CEAERO C[C@@H]1C[N@H+](CCCC(=O)c2ccc(F)cc2)CCN1C ZINC000110727240 186317255 /nfs/dbraw/zinc/31/72/55/186317255.db2.gz AYJJSQPDYRPWFD-CYBMUJFWSA-N 1 0 278.371 2.425 10 0 CEAERO CCN1CC[N@H+](C[C@@H]2CCCCCC2=O)C[C@@H]1C ZINC000110743777 186318657 /nfs/dbraw/zinc/31/86/57/186318657.db2.gz LIRFDZSXJQYDKV-KBPBESRZSA-N 1 0 252.402 2.162 10 0 CEAERO CCCNc1ccc(CN2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000110743189 186318705 /nfs/dbraw/zinc/31/87/05/186318705.db2.gz VCGZJBYRCIKCSK-UHFFFAOYSA-N 1 0 276.428 2.430 10 0 CEAERO CC[C@H]1CN(Cc2ccc3c(c2)CCN3)CC[N@@H+]1C ZINC000110762934 186323314 /nfs/dbraw/zinc/32/33/14/186323314.db2.gz ZBJCXALUGZAWSH-HNNXBMFYSA-N 1 0 259.397 2.181 10 0 CEAERO C[NH2+]Cc1sc(N2CCN(C)[C@@H](C)C2)nc1C(C)(C)C ZINC000110760054 186323606 /nfs/dbraw/zinc/32/36/06/186323606.db2.gz IZVFGANACLVIFF-NSHDSACASA-N 1 0 296.484 2.300 10 0 CEAERO CC(C)(C)SCC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000110791708 186324573 /nfs/dbraw/zinc/32/45/73/186324573.db2.gz SOHGKINELMSGNG-NSHDSACASA-N 1 0 258.431 2.024 10 0 CEAERO O[C@H]1C[NH2+]C[C@H]1Oc1ccccc1-c1ccccc1 ZINC000111059678 186349045 /nfs/dbraw/zinc/34/90/45/186349045.db2.gz SUGVOEMZEKTTEI-GOEBONIOSA-N 1 0 255.317 2.065 10 0 CEAERO O[C@@H]1C[NH2+]C[C@@H]1N(Cc1ccccc1)Cc1ccccc1 ZINC000111059481 186349258 /nfs/dbraw/zinc/34/92/58/186349258.db2.gz POYWMLPKXPAPGP-ZWKOTPCHSA-N 1 0 282.387 2.022 10 0 CEAERO O[C@H]1C[NH2+]C[C@@H]1Oc1ccccc1-c1ccccc1 ZINC000111059681 186349497 /nfs/dbraw/zinc/34/94/97/186349497.db2.gz SUGVOEMZEKTTEI-HOCLYGCPSA-N 1 0 255.317 2.065 10 0 CEAERO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC(=O)NC1 ZINC000111018497 186344180 /nfs/dbraw/zinc/34/41/80/186344180.db2.gz OZZLVBPMEXNAMQ-AGIUHOORSA-N 1 0 252.402 2.460 10 0 CEAERO C[C@H]1CN([C@@H](C[NH3+])c2cccc(F)c2F)CC(C)(C)O1 ZINC000111039842 186347079 /nfs/dbraw/zinc/34/70/79/186347079.db2.gz BEXXENUSUXDKQH-GWCFXTLKSA-N 1 0 284.350 2.464 10 0 CEAERO CC[NH2+][C@H](c1cccc(F)c1F)[C@@H]1CCS(=O)(=O)C1 ZINC000111037635 186347161 /nfs/dbraw/zinc/34/71/61/186347161.db2.gz JUPODVJJTUDHRD-RNCFNFMXSA-N 1 0 289.347 2.050 10 0 CEAERO Cc1cnccc1NC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000111043636 186347535 /nfs/dbraw/zinc/34/75/35/186347535.db2.gz OFCSJPGSIFQLHA-FPMFFAJLSA-N 1 0 259.353 2.249 10 0 CEAERO [NH3+]C[C@H](Nc1ncc(Cl)cn1)C1CCCCC1 ZINC000130844195 365996780 /nfs/dbraw/zinc/99/67/80/365996780.db2.gz JIIOVHSRSRNVBY-NSHDSACASA-N 1 0 254.765 2.450 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cccnc1)N(C)CC1CCOCC1 ZINC000111155737 186361491 /nfs/dbraw/zinc/36/14/91/186361491.db2.gz XAWOAFSTUMTNPT-CVEARBPZSA-N 1 0 277.412 2.218 10 0 CEAERO Cc1ccc([C@@H]([C@@H](C)[NH3+])N(C)CC2CCOCC2)o1 ZINC000111156270 186362096 /nfs/dbraw/zinc/36/20/96/186362096.db2.gz WQLOOBSXFJJUJP-IUODEOHRSA-N 1 0 266.385 2.335 10 0 CEAERO C[C@@H](c1ccccc1)[C@@H](CN)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111158269 186363228 /nfs/dbraw/zinc/36/32/28/186363228.db2.gz JJULCPDFQCPUFZ-YQQAZPJKSA-N 1 0 276.424 2.476 10 0 CEAERO NC(=O)c1ccccc1C[NH2+]C[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000111086824 186351619 /nfs/dbraw/zinc/35/16/19/186351619.db2.gz XTBVZSVBVSTLPN-SCRDCRAPSA-N 1 0 258.365 2.311 10 0 CEAERO CN(C[C@H]1C[C@H]2CC[C@@H]1C2)C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000111104974 186352282 /nfs/dbraw/zinc/35/22/82/186352282.db2.gz PDVLQUCAFIIKTG-JARUQAPTSA-N 1 0 264.413 2.399 10 0 CEAERO CCC[NH2+]Cc1cccnc1OCCOCCC ZINC000111110867 186353246 /nfs/dbraw/zinc/35/32/46/186353246.db2.gz YLLZAACMNKDJBP-UHFFFAOYSA-N 1 0 252.358 2.387 10 0 CEAERO CCOCCN(CC)[C@H](c1cccc(OC)c1)[C@@H](C)[NH3+] ZINC000111116750 186353497 /nfs/dbraw/zinc/35/34/97/186353497.db2.gz DDFJFTSYPPZTNG-CJNGLKHVSA-N 1 0 280.412 2.442 10 0 CEAERO COC(C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)OC ZINC000111112727 186353583 /nfs/dbraw/zinc/35/35/83/186353583.db2.gz ZCFPBKMHQPWMQV-RKDXNWHRSA-N 1 0 255.280 2.316 10 0 CEAERO CCCOCCOC[C@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000111108541 186353969 /nfs/dbraw/zinc/35/39/69/186353969.db2.gz SCMHZKVKTOHQNN-AWEZNQCLSA-N 1 0 295.379 2.291 10 0 CEAERO CCCOCCOc1cccc(C[NH2+]C(C)C)n1 ZINC000111111027 186353974 /nfs/dbraw/zinc/35/39/74/186353974.db2.gz ZREMJTIYLSYSED-UHFFFAOYSA-N 1 0 252.358 2.385 10 0 CEAERO CCOCCN(CC)[C@H](C[NH3+])c1cccc(OCC)c1 ZINC000111117277 186354564 /nfs/dbraw/zinc/35/45/64/186354564.db2.gz PJOCWQNUJJQMPW-MRXNPFEDSA-N 1 0 280.412 2.444 10 0 CEAERO CCOCCN(CC)c1nc(CC)c(C[NH3+])s1 ZINC000111124612 186355231 /nfs/dbraw/zinc/35/52/31/186355231.db2.gz UHHYXNLNDWFPFN-UHFFFAOYSA-N 1 0 257.403 2.027 10 0 CEAERO CCOCCN(CC)[C@@H](C[NH3+])c1ccc(F)c(C)c1 ZINC000111117351 186355481 /nfs/dbraw/zinc/35/54/81/186355481.db2.gz ZSUJOOVQIXLGQB-HNNXBMFYSA-N 1 0 268.376 2.492 10 0 CEAERO C[NH+](C)C[C@@H](NC(=O)c1cccnc1)c1ccccc1 ZINC000111128207 186355860 /nfs/dbraw/zinc/35/58/60/186355860.db2.gz GKQZFXAFEUOFAO-OAHLLOKOSA-N 1 0 269.348 2.114 10 0 CEAERO CC[C@@H]1CC[C@H](C(=O)[O-])[C@H]([N@H+](C)CCC[NH+](C)C)C1 ZINC000111152327 186360061 /nfs/dbraw/zinc/36/00/61/186360061.db2.gz ZWBPEWPXDANNJZ-HZSPNIEDSA-N 1 0 270.417 2.149 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccco1)N(C)C[C@@H]1CCCOC1 ZINC000111154945 186360286 /nfs/dbraw/zinc/36/02/86/186360286.db2.gz MKILUPZQWPGNAL-MBNYWOFBSA-N 1 0 252.358 2.026 10 0 CEAERO CN(CC1CCOCC1)c1ccc(C(N)=[NH2+])c(Cl)c1 ZINC000111164034 186364358 /nfs/dbraw/zinc/36/43/58/186364358.db2.gz QTJPKSAWGMUMEP-UHFFFAOYSA-N 1 0 281.787 2.487 10 0 CEAERO C[C@@H]1CCC(=O)[C@H](C[N@H+](C)C[C@@H]2CCCOC2)C1 ZINC000111171085 186365255 /nfs/dbraw/zinc/36/52/55/186365255.db2.gz DEEMRHCSRLACOT-RDBSUJKOSA-N 1 0 253.386 2.350 10 0 CEAERO C[N@H+](CC1CCOCC1)C[C@@H]1CCCCCC1=O ZINC000111171328 186365452 /nfs/dbraw/zinc/36/54/52/186365452.db2.gz WRFOSARSTWYWJZ-AWEZNQCLSA-N 1 0 253.386 2.494 10 0 CEAERO CN(C)c1nnc(Sc2ccc(C[NH3+])cc2)s1 ZINC000111316209 186396095 /nfs/dbraw/zinc/39/60/95/186396095.db2.gz QOTDSABLHVFMJM-UHFFFAOYSA-N 1 0 266.395 2.214 10 0 CEAERO CN(C)c1nnc(SCc2cccc(C[NH3+])c2)s1 ZINC000111316249 186396166 /nfs/dbraw/zinc/39/61/66/186396166.db2.gz OLYPTNCLIZRCKL-UHFFFAOYSA-N 1 0 280.422 2.355 10 0 CEAERO CN(CC(F)(F)F)C[C@@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111325919 186398059 /nfs/dbraw/zinc/39/80/59/186398059.db2.gz SXDGXLQJVMUIHH-LBPRGKRZSA-N 1 0 280.334 2.029 10 0 CEAERO CCOc1ccc(C(=O)CN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000111237432 186373829 /nfs/dbraw/zinc/37/38/29/186373829.db2.gz IHFCKZMAOQVFGT-UHFFFAOYSA-N 1 0 290.407 2.294 10 0 CEAERO CN(C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)c1ccccc1F ZINC000111246793 186376007 /nfs/dbraw/zinc/37/60/07/186376007.db2.gz YYWKFRNPLUMCGG-LBPRGKRZSA-N 1 0 290.260 2.331 10 0 CEAERO C[C@@H]1[C@@H](C)CCCN1C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111246852 186376149 /nfs/dbraw/zinc/37/61/49/186376149.db2.gz MNUVBYKGYKLCPI-UMNHJUIQSA-N 1 0 278.318 2.175 10 0 CEAERO CCOc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)cc1OCC ZINC000111263129 186380735 /nfs/dbraw/zinc/38/07/35/186380735.db2.gz ZUYAZDZQBRXKCB-DGCLKSJQSA-N 1 0 292.379 2.278 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc(OC(F)F)c1 ZINC000111265703 186381325 /nfs/dbraw/zinc/38/13/25/186381325.db2.gz PUIWOWYTEURUGV-KWQFWETISA-N 1 0 270.279 2.082 10 0 CEAERO C[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1C)c1cccc(OC(F)F)c1 ZINC000111264836 186381721 /nfs/dbraw/zinc/38/17/21/186381721.db2.gz FSVLZVXLLKLKGO-KWBADKCTSA-N 1 0 298.333 2.321 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000111266902 186382694 /nfs/dbraw/zinc/38/26/94/186382694.db2.gz XTOKHTSCOKEMJE-CHWFTXMASA-N 1 0 278.318 2.079 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000111266886 186382726 /nfs/dbraw/zinc/38/27/26/186382726.db2.gz PTTHEUKWJSWWPY-PMUOWJKOSA-N 1 0 278.318 2.079 10 0 CEAERO CSc1ccc(CN(C)C(=O)[C@@H]2C[NH2+]C[C@@H]2C)cc1 ZINC000111267975 186382909 /nfs/dbraw/zinc/38/29/09/186382909.db2.gz MGOQOINCLWZIBN-SMDDNHRTSA-N 1 0 278.421 2.222 10 0 CEAERO CC(C)[C@@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1C)c1cccs1 ZINC000111266264 186383418 /nfs/dbraw/zinc/38/34/18/186383418.db2.gz CWSJFXLUVYYIHT-GMXVVIOVSA-N 1 0 266.410 2.417 10 0 CEAERO C[C@H](NC(=O)[C@@H]1C[NH2+]C[C@@H]1C)c1ccccc1OC(F)F ZINC000111266412 186383484 /nfs/dbraw/zinc/38/34/84/186383484.db2.gz FHCMTHXYJAUJHX-JBLDHEPKSA-N 1 0 298.333 2.321 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000111268270 186384012 /nfs/dbraw/zinc/38/40/12/186384012.db2.gz QGQKWBXTFWDVPD-ABAIWWIYSA-N 1 0 276.355 2.172 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@@H]1C1CCCCC1 ZINC000111269293 186384241 /nfs/dbraw/zinc/38/42/41/186384241.db2.gz MLVYKXSGKWUORV-BPLDGKMQSA-N 1 0 264.413 2.413 10 0 CEAERO C[C@@H](c1cc(F)ccc1F)N(C)C(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000111268766 186384463 /nfs/dbraw/zinc/38/44/63/186384463.db2.gz IJAYWQFXXSQYHJ-OUJBWJOFSA-N 1 0 282.334 2.340 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000111272596 186384921 /nfs/dbraw/zinc/38/49/21/186384921.db2.gz FXQQKGPODXXZBM-BXKDBHETSA-N 1 0 286.297 2.177 10 0 CEAERO CCOC(=O)c1cc(C)sc1NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000111272983 186385242 /nfs/dbraw/zinc/38/52/42/186385242.db2.gz LZLXRQPHGUXDEL-LDYMZIIASA-N 1 0 296.392 2.027 10 0 CEAERO [NH3+]Cc1ccc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)nc1 ZINC000111281619 186387601 /nfs/dbraw/zinc/38/76/01/186387601.db2.gz YDSRLPLDSGYDLC-ZFWWWQNUSA-N 1 0 273.380 2.335 10 0 CEAERO Cc1ccnc2[nH]c([C@@H]3CCCN3C3CC[NH2+]CC3)nc21 ZINC000111280130 186388154 /nfs/dbraw/zinc/38/81/54/186388154.db2.gz GGBASCSEZCGICI-ZDUSSCGKSA-N 1 0 285.395 2.155 10 0 CEAERO CN(C(=O)c1ccc2c(c1)COC2)c1ccc(C[NH3+])cc1 ZINC000111304887 186393508 /nfs/dbraw/zinc/39/35/08/186393508.db2.gz HWKGBSDKTSTUEV-UHFFFAOYSA-N 1 0 282.343 2.452 10 0 CEAERO [NH3+]Cc1cccc(CNC(=O)c2ccc3c(c2)COC3)c1 ZINC000111304890 186393673 /nfs/dbraw/zinc/39/36/73/186393673.db2.gz OSUUTILBUVYPSN-UHFFFAOYSA-N 1 0 282.343 2.106 10 0 CEAERO [NH3+]Cc1cccc(NC(=O)c2ccc3c(c2)COC3)c1 ZINC000111304873 186393683 /nfs/dbraw/zinc/39/36/83/186393683.db2.gz BLPBAESPAYSDSD-UHFFFAOYSA-N 1 0 268.316 2.428 10 0 CEAERO Cc1cc(N(C)C[C@@H]2CCCOC2)ccc1CC[NH3+] ZINC000111481511 186422345 /nfs/dbraw/zinc/42/23/45/186422345.db2.gz XYBYPKJDZGAJRZ-AWEZNQCLSA-N 1 0 262.397 2.359 10 0 CEAERO CC[C@H]([NH3+])Cc1c(C)nn(C)c1N(C)CC1CCC1 ZINC000111496851 186423430 /nfs/dbraw/zinc/42/34/30/186423430.db2.gz GTCGIQYSBFTKEA-ZDUSSCGKSA-N 1 0 264.417 2.245 10 0 CEAERO COCCN(c1ccc(F)cc1C[C@H](C)[NH3+])C1CC1 ZINC000111505656 186424991 /nfs/dbraw/zinc/42/49/91/186424991.db2.gz JDWJBTJSHGSYKD-NSHDSACASA-N 1 0 266.360 2.331 10 0 CEAERO Cc1nn(C)c(-n2cc(-c3ccccc3)cn2)c1CC[NH3+] ZINC000111514076 186426160 /nfs/dbraw/zinc/42/61/60/186426160.db2.gz KMYDBZALZCGAFB-UHFFFAOYSA-N 1 0 281.363 2.082 10 0 CEAERO CC(C)C[NH2+]Cc1ccccc1Sc1n[nH]c(=O)n1C ZINC000111566506 186428971 /nfs/dbraw/zinc/42/89/71/186428971.db2.gz VJMGLZWWJCJZFK-UHFFFAOYSA-N 1 0 292.408 2.005 10 0 CEAERO COc1ccc([C@H]([NH3+])c2cc(C)ccn2)c(OC)c1 ZINC000111680812 186440565 /nfs/dbraw/zinc/44/05/65/186440565.db2.gz YJHFUTUJYOTBCN-HNNXBMFYSA-N 1 0 258.321 2.455 10 0 CEAERO CC[NH2+][C@H](C)[C@@H]1CCCCN1CC(=O)NC1CCCCC1 ZINC000111711678 186448741 /nfs/dbraw/zinc/44/87/41/186448741.db2.gz JWQBTNKRWFEGNO-ZBFHGGJFSA-N 1 0 295.471 2.288 10 0 CEAERO C[NH2+][C@@H](C)[C@H]1CCCCN1CC(=O)Nc1ccccc1 ZINC000111711154 186449311 /nfs/dbraw/zinc/44/93/11/186449311.db2.gz RHIATYPBSCOGFW-DZGCQCFKSA-N 1 0 275.396 2.088 10 0 CEAERO C[C@@H]1CN(Cc2nnc(-c3ccc(F)cc3)o2)C[C@H](C)[NH2+]1 ZINC000111784797 186456191 /nfs/dbraw/zinc/45/61/91/186456191.db2.gz QVLLYWCKABEQEZ-PHIMTYICSA-N 1 0 290.342 2.058 10 0 CEAERO Cc1ccc(F)cc1NC(=O)CCOC1CC[NH2+]CC1 ZINC000111799780 186459045 /nfs/dbraw/zinc/45/90/45/186459045.db2.gz AJTBWKQCPFDKCS-UHFFFAOYSA-N 1 0 280.343 2.231 10 0 CEAERO CC(C)C[C@H](C[NH3+])NC(=O)c1c[nH]c2ccccc12 ZINC000111828789 186461520 /nfs/dbraw/zinc/46/15/20/186461520.db2.gz IDASNEBVENRRNL-LLVKDONJSA-N 1 0 259.353 2.271 10 0 CEAERO C[C@@H]1CCC[C@@](C[NH3+])(Nc2ccc(S(C)(=O)=O)cc2)C1 ZINC000111379051 186409483 /nfs/dbraw/zinc/40/94/83/186409483.db2.gz BLFNHGXQNDYRRF-IUODEOHRSA-N 1 0 296.436 2.410 10 0 CEAERO CC(C)[C@]1(C)CC(=O)N(C2(C[NH3+])CCC(C)CC2)C1=O ZINC000111382615 186410872 /nfs/dbraw/zinc/41/08/72/186410872.db2.gz URRONZTYILNQRX-NRAUKZCXSA-N 1 0 280.412 2.315 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCc1ccccc1 ZINC000113367178 186573786 /nfs/dbraw/zinc/57/37/86/186573786.db2.gz LOAQKQMNVVZUSA-GOEBONIOSA-N 1 0 287.407 2.107 10 0 CEAERO O[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)cn1 ZINC000069938786 363014886 /nfs/dbraw/zinc/01/48/86/363014886.db2.gz MHGSFOXNCSNUJI-NEPJUHHUSA-N 1 0 285.185 2.237 10 0 CEAERO CCN(Cc1ccoc1)C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000629600419 351428458 /nfs/dbraw/zinc/42/84/58/351428458.db2.gz XJKBNQBXRIHBLK-AAEUAGOBSA-N 1 0 250.342 2.016 10 0 CEAERO C[C@@H]1CC[C@H](NC(=O)C[C@@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000070114855 363032988 /nfs/dbraw/zinc/03/29/88/363032988.db2.gz KDTWXTFSZGBDFJ-MQYQWHSLSA-N 1 0 252.402 2.317 10 0 CEAERO CC[N@H+](C[C@H](O)COCc1ccccc1)C(C)C ZINC000070197062 363052933 /nfs/dbraw/zinc/05/29/33/363052933.db2.gz UAUNPZDFXZEEOF-HNNXBMFYSA-N 1 0 251.370 2.294 10 0 CEAERO CCCNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000120420304 186898467 /nfs/dbraw/zinc/89/84/67/186898467.db2.gz VDUPGLGVUDBXRO-GFCCVEGCSA-N 1 0 291.395 2.135 10 0 CEAERO COc1cccnc1N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000630094703 351616428 /nfs/dbraw/zinc/61/64/28/351616428.db2.gz WTESIOPYKUYKRU-ZJUUUORDSA-N 1 0 289.301 2.054 10 0 CEAERO CC(C)c1ccc(-n2nncc2CN2CCC[NH2+]CC2)cc1 ZINC000070461008 363088172 /nfs/dbraw/zinc/08/81/72/363088172.db2.gz PEMKTQKMQWUJOH-UHFFFAOYSA-N 1 0 299.422 2.186 10 0 CEAERO Cc1nc(-c2cccnc2)nc(N[C@@H]2CCC[NH2+]C2)c1C ZINC000070456523 363085155 /nfs/dbraw/zinc/08/51/55/363085155.db2.gz QMSUYGBXIPRUGT-CQSZACIVSA-N 1 0 283.379 2.319 10 0 CEAERO CO[C@H]1CN(Cc2ccc(Cl)cc2)[C@@](C)(C[NH3+])C1 ZINC000630356126 351710348 /nfs/dbraw/zinc/71/03/48/351710348.db2.gz OQCGAVLVMRHROT-ZIAGYGMSSA-N 1 0 268.788 2.278 10 0 CEAERO CO[C@H]1CN(C(=O)CCCc2cccs2)[C@@](C)(C[NH3+])C1 ZINC000630356715 351710808 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c1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCSc3ccccc31)CC2 ZINC000180579296 189263232 /nfs/dbraw/zinc/26/32/32/189263232.db2.gz CYWDOHVLOZZGNK-WCQYABFASA-N 1 0 286.404 2.420 10 0 CEAERO Cc1cnc(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)s1 ZINC000180498751 189259018 /nfs/dbraw/zinc/25/90/18/189259018.db2.gz JRVNWYAJUGSHDY-NSHDSACASA-N 1 0 262.382 2.175 10 0 CEAERO CCN(C)C(=O)CC[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000180874226 189280931 /nfs/dbraw/zinc/28/09/31/189280931.db2.gz UHBDMXJTWBTWHP-GFCCVEGCSA-N 1 0 294.395 2.223 10 0 CEAERO Cc1cccc(CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000180953941 189284850 /nfs/dbraw/zinc/28/48/50/189284850.db2.gz BAJZXGUDMNIYKM-MRXNPFEDSA-N 1 0 274.408 2.480 10 0 CEAERO C[NH2+]CCN(Cc1ccc(OC)cc1)c1ccccn1 ZINC000002584239 361242095 /nfs/dbraw/zinc/24/20/95/361242095.db2.gz LWKSMQXIHQRJJJ-UHFFFAOYSA-N 1 0 271.364 2.316 10 0 in-vitro CEAERO CC(=O)Nc1ccc2oc([C@H](O)C[NH2+]C(C)C)cc2c1 ZINC000003652855 361288459 /nfs/dbraw/zinc/28/84/59/361288459.db2.gz KCAIHYXQFYPTIB-CYBMUJFWSA-N 1 0 276.336 2.423 10 0 CEAERO [NH3+][C@H]1CC[C@H](C(=O)Nc2nc3c(cccc3Cl)[nH]2)C1 ZINC000262242053 283640988 /nfs/dbraw/zinc/64/09/88/283640988.db2.gz OYFBGMXBHATTFB-YUMQZZPRSA-N 1 0 278.743 2.282 10 0 CEAERO O=C([C@@H]1CC[NH2+]C1)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000152509148 366701130 /nfs/dbraw/zinc/70/11/30/366701130.db2.gz UVGSCZGGWDDLOH-CJNGLKHVSA-N 1 0 270.376 2.274 10 0 CEAERO Oc1ccc2c(c1)O[C@@H](C[NH2+]Cc1ccncc1)CC2 ZINC000004632551 361324609 /nfs/dbraw/zinc/32/46/09/361324609.db2.gz CMPVSRKCPJUIRW-OAHLLOKOSA-N 1 0 270.332 2.271 10 0 CEAERO C[C@H](NS(=O)(=O)c1ccc(C[NH3+])cc1)c1ccccc1 ZINC000011849290 361365990 /nfs/dbraw/zinc/36/59/90/361365990.db2.gz YXIRMMIJZUPCFI-LBPRGKRZSA-N 1 0 290.388 2.185 10 0 CEAERO C[C@H]1C[N@H+](C[C@H](O)CCc2ccccc2)CCS1 ZINC000182331769 189320440 /nfs/dbraw/zinc/32/04/40/189320440.db2.gz JJZAVRPJOUZAJF-DZGCQCFKSA-N 1 0 265.422 2.417 10 0 CEAERO Cc1cccc(NC[C@@H]2CC[N@H+](CCCn3ccnc3)C2)n1 ZINC000183180438 189349129 /nfs/dbraw/zinc/34/91/29/189349129.db2.gz OTEFJXSAHRXPCD-INIZCTEOSA-N 1 0 299.422 2.411 10 0 CEAERO CCOc1ccc(CN2CC[N@H+](CCOC)[C@H](C)C2)cc1 ZINC000155090743 366806298 /nfs/dbraw/zinc/80/62/98/366806298.db2.gz FFXAHVGUCZZQAE-OAHLLOKOSA-N 1 0 292.423 2.238 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccncc1F ZINC000184133537 189377166 /nfs/dbraw/zinc/37/71/66/189377166.db2.gz DVGNXKZGVHESJF-VXGBXAGGSA-N 1 0 292.358 2.311 10 0 CEAERO [NH3+]CCN1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000022939581 361591499 /nfs/dbraw/zinc/59/14/99/361591499.db2.gz XFRVUAWMTUZCRN-UHFFFAOYSA-N 1 0 261.344 2.445 10 0 CEAERO c1ccc([C@@]2(C3=[NH+]CCN3)COc3ccccc3O2)cc1 ZINC000026002579 361634380 /nfs/dbraw/zinc/63/43/80/361634380.db2.gz IYDBIPFBXGYQOK-QGZVFWFLSA-N 1 0 280.327 2.355 10 0 CEAERO C[C@H](CC1CCCC1)[NH2+]C1CCN(CCO)CC1 ZINC000679038236 541208937 /nfs/dbraw/zinc/20/89/37/541208937.db2.gz HJMFHYHBMJYUNB-CYBMUJFWSA-N 1 0 254.418 2.002 10 0 CEAERO CC[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(F)cc1 ZINC000084222118 363803146 /nfs/dbraw/zinc/80/31/46/363803146.db2.gz XTRWKWNANKEGMI-LSDHHAIUSA-N 1 0 266.360 2.197 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](c2ccc(Br)cc2)O1 ZINC000032108968 361728117 /nfs/dbraw/zinc/72/81/17/361728117.db2.gz RNNLKNHVQCIWCM-GZMMTYOYSA-N 1 0 256.143 2.499 10 0 CEAERO CC[N@H+](CCO)CCNc1cc(C)nc2c(F)cccc12 ZINC000302207269 201396364 /nfs/dbraw/zinc/39/63/64/201396364.db2.gz AFXNMNMXRQQNLQ-UHFFFAOYSA-N 1 0 291.370 2.408 10 0 CEAERO C[C@H]1CN(C(=O)c2ccc(Cl)cc2O)C[C@H]1[NH+](C)C ZINC000089710477 363994292 /nfs/dbraw/zinc/99/42/92/363994292.db2.gz SRWFCILYNULYBQ-JOYOIKCWSA-N 1 0 282.771 2.068 10 0 CEAERO C[C@H]1CN(C(=O)c2cc(F)c(F)c(F)c2)C[C@@H]1[NH+](C)C ZINC000089710111 363994405 /nfs/dbraw/zinc/99/44/05/363994405.db2.gz GJSWYUKDUFOKHO-UFBFGSQYSA-N 1 0 286.297 2.126 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C[C@](C)(O)c1ccccc1 ZINC000092633691 364093205 /nfs/dbraw/zinc/09/32/05/364093205.db2.gz PSDDGVPNEDVKJG-IRXDYDNUSA-N 1 0 276.424 2.310 10 0 CEAERO Cc1nn(C)cc1C[N@@H+]1CC[C@H](CNc2cccc(C)n2)C1 ZINC000092813040 364110708 /nfs/dbraw/zinc/11/07/08/364110708.db2.gz BWIHZTLOGKCUMK-OAHLLOKOSA-N 1 0 299.422 2.366 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1C[C@@H]2CCCC[C@@]21C ZINC000638757924 370729247 /nfs/dbraw/zinc/72/92/47/370729247.db2.gz PTYMOLOVCAAEIH-XPCVCDNBSA-N 1 0 250.386 2.166 10 0 CEAERO C[C@@H](C[NH2+][C@@H](C)c1ccccc1N(C)C)N1CCOCC1 ZINC000093941875 364241876 /nfs/dbraw/zinc/24/18/76/364241876.db2.gz BEGVBOGUUMLBIP-GJZGRUSLSA-N 1 0 291.439 2.124 10 0 CEAERO CCCCOCCN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000094449336 364274878 /nfs/dbraw/zinc/27/48/78/364274878.db2.gz YJSVYYUUTWTQKK-GJZGRUSLSA-N 1 0 254.418 2.362 10 0 CEAERO Clc1cnc(OCCC[C@H]2CCC[NH2+]C2)nc1 ZINC000095070064 364330156 /nfs/dbraw/zinc/33/01/56/364330156.db2.gz YWLDLAOKTXOWPS-SNVBAGLBSA-N 1 0 255.749 2.289 10 0 CEAERO Cc1cnc(OCC[C@H]2CCC[NH2+]C2)nc1Cl ZINC000095069357 364330163 /nfs/dbraw/zinc/33/01/63/364330163.db2.gz QAYLIPRTMQGVMQ-SNVBAGLBSA-N 1 0 255.749 2.207 10 0 CEAERO CCOc1nc2ccccc2nc1N1CCC[C@H]([NH2+]C)C1 ZINC000095069691 364330170 /nfs/dbraw/zinc/33/01/70/364330170.db2.gz MHFVQLRXEKVVAQ-LBPRGKRZSA-N 1 0 286.379 2.217 10 0 CEAERO CN(C[C@@H]1CCC[NH2+]1)c1nc2ccccc2nc1Cl ZINC000095070974 364331188 /nfs/dbraw/zinc/33/11/88/364331188.db2.gz DXISCUNGOAWXQN-JTQLQIEISA-N 1 0 276.771 2.471 10 0 CEAERO CSc1nc(Cl)cc(S[C@@H]2CC[NH2+]C2)n1 ZINC000095071800 364332297 /nfs/dbraw/zinc/33/22/97/364332297.db2.gz XTRJUOQIIDOLKK-ZCFIWIBFSA-N 1 0 261.803 2.306 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1NCc1ccnc(Br)c1 ZINC000095072269 364332317 /nfs/dbraw/zinc/33/23/17/364332317.db2.gz QDBBYYBANVQLMT-GHMZBOCLSA-N 1 0 284.201 2.204 10 0 CEAERO O=C(COCC[C@H]1CCCC[NH2+]1)c1cccs1 ZINC000095072916 364332355 /nfs/dbraw/zinc/33/23/55/364332355.db2.gz PZMNWSCUHLIOQA-LLVKDONJSA-N 1 0 253.367 2.480 10 0 CEAERO O=C(COCCC[C@@H]1CCCC[NH2+]1)c1ccc[nH]1 ZINC000095072941 364332452 /nfs/dbraw/zinc/33/24/52/364332452.db2.gz QYDQUILPAHQGFK-LBPRGKRZSA-N 1 0 250.342 2.136 10 0 CEAERO CCc1ccc(O)c(NC(=O)C[C@@H]2CCC[NH2+]C2)c1 ZINC000094575158 364279900 /nfs/dbraw/zinc/27/99/00/364279900.db2.gz SMXGWAMXGJJXBN-LBPRGKRZSA-N 1 0 262.353 2.283 10 0 CEAERO CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000094647552 364285859 /nfs/dbraw/zinc/28/58/59/364285859.db2.gz QEILDZQHMCCTCL-AAVRWANBSA-N 1 0 252.402 2.460 10 0 CEAERO Cc1cc(F)ccc1CCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000094956079 364316042 /nfs/dbraw/zinc/31/60/42/364316042.db2.gz DYDZAANSJWCVDA-ZDUSSCGKSA-N 1 0 278.371 2.183 10 0 CEAERO COc1ccccc1-c1noc([C@@H]2CC[C@@H]([NH3+])C2)n1 ZINC000097067835 364439474 /nfs/dbraw/zinc/43/94/74/364439474.db2.gz YCJNCHFEIOXIIH-NXEZZACHSA-N 1 0 259.309 2.340 10 0 CEAERO [NH3+][C@@H]1CC[C@H](C(=O)Nc2cccc3ncccc32)C1 ZINC000097092205 364446059 /nfs/dbraw/zinc/44/60/59/364446059.db2.gz MHPJMKFDQJXIFO-WDEREUQCSA-N 1 0 255.321 2.301 10 0 CEAERO CCc1ccc([C@H](CNC(=O)[C@H](C)COC)[NH+](C)C)cc1 ZINC000103428387 364652285 /nfs/dbraw/zinc/65/22/85/364652285.db2.gz ULANCMCYLOJJLB-CJNGLKHVSA-N 1 0 292.423 2.250 10 0 CEAERO Cc1nc(C[C@H]2CCC[N@H+](Cc3ccccn3)C2)no1 ZINC000103474143 364657208 /nfs/dbraw/zinc/65/72/08/364657208.db2.gz CKRMSHDTLXWOAM-CYBMUJFWSA-N 1 0 272.352 2.228 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)Nc1ccc(Br)cc1 ZINC000335648867 212366840 /nfs/dbraw/zinc/36/68/40/212366840.db2.gz NMKYCJGGZCIUSY-GZMMTYOYSA-N 1 0 298.184 2.403 10 0 CEAERO C[C@@H]([NH3+])[C@H]1CCCN(c2cnc3ccccc3n2)C1 ZINC000111715859 364755604 /nfs/dbraw/zinc/75/56/04/364755604.db2.gz SDATYBDIBFSIAL-NEPJUHHUSA-N 1 0 256.353 2.193 10 0 CEAERO CC[C@@](C)(O)CNc1cc(N2CCC[C@H](C)C2)ncn1 ZINC000112078896 364772193 /nfs/dbraw/zinc/77/21/93/364772193.db2.gz USYFGHBPNUVLTQ-SWLSCSKDSA-N 1 0 278.400 2.286 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccccc1F ZINC000113230916 364879090 /nfs/dbraw/zinc/87/90/90/364879090.db2.gz JULQUMNITZCMHN-GXTWGEPZSA-N 1 0 276.355 2.063 10 0 CEAERO COc1ccc([C@H](C)C(=O)N2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000113455861 364897826 /nfs/dbraw/zinc/89/78/26/364897826.db2.gz SJKVYESMIGFYCV-UONOGXRCSA-N 1 0 290.407 2.209 10 0 CEAERO O=C(C[C@@H]1CC[NH2+]C1)N1CCCC[C@@H]1c1nccs1 ZINC000335789027 364984647 /nfs/dbraw/zinc/98/46/47/364984647.db2.gz KJKMFYKIXQZIGT-NWDGAFQWSA-N 1 0 279.409 2.196 10 0 CEAERO CN(CC(F)(F)F)C(=O)CN1CCC[C@@H]1c1ccco1 ZINC000116294836 365049760 /nfs/dbraw/zinc/04/97/60/365049760.db2.gz KABCRDWQKQXYFR-SNVBAGLBSA-N 1 0 290.285 2.437 10 0 CEAERO Cc1n[nH]c(C)c1NC(=O)CN1CCC[C@@H]1c1ccco1 ZINC000116299033 365050194 /nfs/dbraw/zinc/05/01/94/365050194.db2.gz WODADKFSZBKJDS-GFCCVEGCSA-N 1 0 288.351 2.395 10 0 CEAERO C[NH+](C)C[C@H]1CN(C(=O)NC2CCCCCCC2)CCO1 ZINC000117023707 365089226 /nfs/dbraw/zinc/08/92/26/365089226.db2.gz OQLBDXUVDSWHPS-HNNXBMFYSA-N 1 0 297.443 2.071 10 0 CEAERO COCCCC[N@@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000117880762 365130175 /nfs/dbraw/zinc/13/01/75/365130175.db2.gz QYSDIWWILABZRP-CQSZACIVSA-N 1 0 251.374 2.255 10 0 CEAERO C[C@H](C(=O)N[C@@H]1COc2ccccc21)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245202863 370805915 /nfs/dbraw/zinc/80/59/15/370805915.db2.gz WSMOGIXGNUZXPD-QVHKTLOISA-N 1 0 288.391 2.498 10 0 CEAERO C[C@@H](O)C1CC[NH+](Cc2cccc3c2NCC3)CC1 ZINC000220368950 189723519 /nfs/dbraw/zinc/72/35/19/189723519.db2.gz MYUDNMXEZONHLA-GFCCVEGCSA-N 1 0 260.381 2.247 10 0 CEAERO CC[C@H](C)C[N@@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000120386273 365416726 /nfs/dbraw/zinc/41/67/26/365416726.db2.gz ZPTVUQIKIAZAST-ZDUSSCGKSA-N 1 0 262.401 2.343 10 0 CEAERO CCC1(C[N@@H+]2CCC[C@](C)(O)CC2)CCOCC1 ZINC000336072052 365369218 /nfs/dbraw/zinc/36/92/18/365369218.db2.gz AROPACVMRYNODY-AWEZNQCLSA-N 1 0 255.402 2.430 10 0 CEAERO C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000120569492 365443161 /nfs/dbraw/zinc/44/31/61/365443161.db2.gz CDMZVRAANZZHKO-IUODEOHRSA-N 1 0 282.815 2.191 10 0 CEAERO O[C@H]1CCCC[C@H]1[NH2+]Cc1cncc(Br)c1 ZINC000160573293 367017726 /nfs/dbraw/zinc/01/77/26/367017726.db2.gz YFYOKRXWWJYJPH-NEPJUHHUSA-N 1 0 285.185 2.237 10 0 CEAERO CCOC1CCC(C[NH2+][C@@H](C)c2ncn(C)n2)CC1 ZINC000583650921 367078840 /nfs/dbraw/zinc/07/88/40/367078840.db2.gz CVGYVWQIJXIAIL-HIFPTAJRSA-N 1 0 266.389 2.061 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccncc1 ZINC000162109202 367137568 /nfs/dbraw/zinc/13/75/68/367137568.db2.gz NPVWGZCZOPKEEX-CQSZACIVSA-N 1 0 276.384 2.324 10 0 CEAERO CO[C@H](CNC(=O)[C@@H]([NH3+])CC(C)C)c1ccc(F)cc1 ZINC000162623946 367175036 /nfs/dbraw/zinc/17/50/36/367175036.db2.gz BJMODUYEEWTUPF-UONOGXRCSA-N 1 0 282.359 2.003 10 0 CEAERO CC[C@H](C(=O)N1C[C@H](C)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000638883855 370818552 /nfs/dbraw/zinc/81/85/52/370818552.db2.gz BRRSOKGKEFKUEG-QEJZJMRPSA-N 1 0 260.381 2.233 10 0 CEAERO C[C@@H]1CN(C(=O)CCSc2ccccc2F)C[C@@H]1C[NH3+] ZINC000638885620 370819225 /nfs/dbraw/zinc/81/92/25/370819225.db2.gz DBCQANHZRSHLMB-NEPJUHHUSA-N 1 0 296.411 2.361 10 0 CEAERO COc1cc(Cl)ccc1C(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638885617 370819719 /nfs/dbraw/zinc/81/97/19/370819719.db2.gz CZHOUWMCYKXDGI-UWVGGRQHSA-N 1 0 282.771 2.015 10 0 CEAERO C[C@@H]1CN(C(=O)c2ccccc2Br)C[C@@H]1C[NH3+] ZINC000638886797 370820642 /nfs/dbraw/zinc/82/06/42/370820642.db2.gz SUPJRADKXKYHAE-ZJUUUORDSA-N 1 0 297.196 2.116 10 0 CEAERO Cc1ccc2oc(C(=O)N3C[C@@H](C)[C@@H](C[NH3+])C3)cc2c1 ZINC000638889190 370822803 /nfs/dbraw/zinc/82/28/03/370822803.db2.gz KHDXPUVRKSJDLH-YPMHNXCESA-N 1 0 272.348 2.408 10 0 CEAERO C[C@H]1CN(C(=O)CCCc2cccs2)C[C@@H]1C[NH3+] ZINC000638891287 370824020 /nfs/dbraw/zinc/82/40/20/370824020.db2.gz ZMMZWMZSUAUUKL-RYUDHWBXSA-N 1 0 266.410 2.124 10 0 CEAERO CCC[C@H](C(=O)NCCOCc1ccccc1)[NH+](C)C ZINC000162394539 367156879 /nfs/dbraw/zinc/15/68/79/367156879.db2.gz AQPZFAVVXYOSEM-OAHLLOKOSA-N 1 0 278.396 2.050 10 0 CEAERO C[C@H](Oc1ccccc1Cl)C(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638892858 370825164 /nfs/dbraw/zinc/82/51/64/370825164.db2.gz YBSKQFHMNNATAN-SRVKXCTJSA-N 1 0 296.798 2.161 10 0 CEAERO C[C@@H]1CN(C(=O)c2cscc2Cl)C[C@@H]1C[NH3+] ZINC000638904602 370832648 /nfs/dbraw/zinc/83/26/48/370832648.db2.gz PFOZJELCDATFNK-SFYZADRCSA-N 1 0 258.774 2.068 10 0 CEAERO O=C(CC1CC1)N[C@@H]1C[NH2+]CC[C@H]1c1ccccc1 ZINC000616568930 367231928 /nfs/dbraw/zinc/23/19/28/367231928.db2.gz FFQQEBFKAMYFLS-LSDHHAIUSA-N 1 0 258.365 2.048 10 0 CEAERO C[C@@H](NC(=O)[C@@H](C)C1C[NH2+]C1)c1ccccc1Cl ZINC000164421881 367286035 /nfs/dbraw/zinc/28/60/35/367286035.db2.gz PZFFCRPOLAEEEF-VHSXEESVSA-N 1 0 266.772 2.373 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000171071245 367471824 /nfs/dbraw/zinc/47/18/24/367471824.db2.gz PWFSCFWQLPYQAP-OAHLLOKOSA-N 1 0 273.380 2.343 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccc3ncsc3c2)C1 ZINC000171076717 367473521 /nfs/dbraw/zinc/47/35/21/367473521.db2.gz BRPWBLLDAROBNS-NSHDSACASA-N 1 0 290.392 2.464 10 0 CEAERO C[C@H](Cc1cccc(F)c1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170854870 367431300 /nfs/dbraw/zinc/43/13/00/367431300.db2.gz LSEOTQVGWFRYLL-IUODEOHRSA-N 1 0 278.371 2.167 10 0 CEAERO CCCN(C)c1ccc(C(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000170864199 367433871 /nfs/dbraw/zinc/43/38/71/367433871.db2.gz AKTBYUQEZRHKNI-INIZCTEOSA-N 1 0 289.423 2.309 10 0 CEAERO CSc1ccccc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170861495 367434796 /nfs/dbraw/zinc/43/47/96/367434796.db2.gz SSGFIVBARPEBLS-LLVKDONJSA-N 1 0 264.394 2.185 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cnc(-c3ccco3)s2)C1 ZINC000171541633 367561429 /nfs/dbraw/zinc/56/14/29/367561429.db2.gz JIAQXKCATDKCNH-SNVBAGLBSA-N 1 0 291.376 2.179 10 0 CEAERO COc1ccccc1[C@H](C)CC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000171303170 367518208 /nfs/dbraw/zinc/51/82/08/367518208.db2.gz PCTGCZCDZMEFKN-ZIAGYGMSSA-N 1 0 290.407 2.351 10 0 CEAERO C[C@H]1CN(Cc2csc(-c3ccco3)n2)C[C@H]1C[NH3+] ZINC000631840070 367581001 /nfs/dbraw/zinc/58/10/01/367581001.db2.gz PEVHTGUSNFQCLK-WDEREUQCSA-N 1 0 277.393 2.430 10 0 CEAERO CCOCCN1CC[N@@H+]([C@H]2C=CCCC2)C[C@@H]1C ZINC000171746176 367608567 /nfs/dbraw/zinc/60/85/67/367608567.db2.gz VDYHDFDUCVPING-GJZGRUSLSA-N 1 0 252.402 2.138 10 0 CEAERO C[C@H]1C[N@H+](Cc2cccc(C(=O)N(C)C)c2)CCS1 ZINC000171688269 367592400 /nfs/dbraw/zinc/59/24/00/367592400.db2.gz GXQGUHJSVFLYJE-LBPRGKRZSA-N 1 0 278.421 2.326 10 0 CEAERO O=C(c1coc(-c2ccccc2)n1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000172349740 367724370 /nfs/dbraw/zinc/72/43/70/367724370.db2.gz XFRFHLXZNVRSJT-AWEZNQCLSA-N 1 0 297.358 2.262 10 0 CEAERO Cn1cc(CN2CC[N@@H+]3CCC[C@H]3C2)c(-c2ccccc2)n1 ZINC000245841914 370878268 /nfs/dbraw/zinc/87/82/68/370878268.db2.gz JYVANNHKMXVAGR-KRWDZBQOSA-N 1 0 296.418 2.367 10 0 CEAERO C[C@@H]([NH2+][C@@H](C)c1cccs1)C(=O)NC(=O)NC(C)(C)C ZINC000172604063 367787162 /nfs/dbraw/zinc/78/71/62/367787162.db2.gz RCKLJZINDZTKNR-VHSXEESVSA-N 1 0 297.424 2.412 10 0 CEAERO CCc1ccc([C@H]2CCCC[N@@H+]2C[C@H](O)COC)o1 ZINC000172988232 367855603 /nfs/dbraw/zinc/85/56/03/367855603.db2.gz HMJLLNKQQJOXBU-GXTWGEPZSA-N 1 0 267.369 2.376 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2SCCc3sccc32)C1 ZINC000173045981 367863600 /nfs/dbraw/zinc/86/36/00/367863600.db2.gz GLCXIAKSAQKRJR-ZWNOBZJWSA-N 1 0 296.461 2.241 10 0 CEAERO 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CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]([NH3+])[C@@H](F)C2)C1 ZINC000261508341 190040285 /nfs/dbraw/zinc/04/02/85/190040285.db2.gz RMLUGCZJYTXPOU-KWBADKCTSA-N 1 0 258.337 2.073 10 0 CEAERO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC000305831625 376512128 /nfs/dbraw/zinc/51/21/28/376512128.db2.gz DUODLNGNXBFMIS-UONOGXRCSA-N 1 0 283.803 2.477 10 0 CEAERO CCCn1ncc(Br)c1[C@@H]1C=CC[NH2+]1 ZINC000306551223 376549928 /nfs/dbraw/zinc/54/99/28/376549928.db2.gz ZWYSCRHUUQAPRY-VIFPVBQESA-N 1 0 256.147 2.256 10 0 CEAERO O=C1c2ccccc2C(=O)N1[C@H]1C[NH2+]C[C@@H]1c1ccccc1 ZINC000307295285 376563366 /nfs/dbraw/zinc/56/33/66/376563366.db2.gz OWSQJDPHNODJPC-CVEARBPZSA-N 1 0 292.338 2.038 10 0 CEAERO C[C@H]([NH3+])/C=C/c1ncc(I)s1 ZINC000307499955 376567677 /nfs/dbraw/zinc/56/76/77/376567677.db2.gz LZVDFOFSIQOWDF-HRJJCQLASA-N 1 0 280.134 2.108 10 0 CEAERO CCc1cc(CC)nc(N[C@@H](C[NH3+])CC(C)C)n1 ZINC000310634454 376628223 /nfs/dbraw/zinc/62/82/23/376628223.db2.gz PKILAMPKFRDJHX-CYBMUJFWSA-N 1 0 250.390 2.387 10 0 CEAERO C[C@@H]1OCC[C@@H]1[NH2+]Cc1cccc(O)c1Br ZINC000315058187 376792190 /nfs/dbraw/zinc/79/21/90/376792190.db2.gz ULMYCAAAUXCTQT-WPRPVWTQSA-N 1 0 286.169 2.422 10 0 CEAERO C[C@H]1OCC[C@H]1[NH2+]Cc1cccc(O)c1Br ZINC000315058179 376793479 /nfs/dbraw/zinc/79/34/79/376793479.db2.gz ULMYCAAAUXCTQT-PSASIEDQSA-N 1 0 286.169 2.422 10 0 CEAERO CC(C)(C)[C@H](O)C[NH2+]C[C@H]1OCCc2ccccc21 ZINC000324311490 376840225 /nfs/dbraw/zinc/84/02/25/376840225.db2.gz ZLNBIWCCGVFFDH-HUUCEWRRSA-N 1 0 263.381 2.297 10 0 CEAERO CCN1CC[C@H]([NH2+][C@H](C)c2cc(OC)ccc2OC)C1 ZINC000328448724 376850632 /nfs/dbraw/zinc/85/06/32/376850632.db2.gz COVSKAMFCOESCS-OLZOCXBDSA-N 1 0 278.396 2.449 10 0 CEAERO CC(C)(C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000616570590 542156543 /nfs/dbraw/zinc/15/65/43/542156543.db2.gz NNQSPCWCERMSNP-ZIAGYGMSSA-N 1 0 260.381 2.294 10 0 CEAERO COc1cc(F)cc(C[NH2+]C[C@H](O)C(C)(C)C)c1 ZINC000312445838 249372569 /nfs/dbraw/zinc/37/25/69/249372569.db2.gz PVQDAJTVFVDUCU-ZDUSSCGKSA-N 1 0 255.333 2.331 10 0 CEAERO C[NH+](C)[C@@H]1CCN(Cc2cccc(O)c2Cl)C1 ZINC000293886172 377807296 /nfs/dbraw/zinc/80/72/96/377807296.db2.gz KATUHONXOKMIIG-LLVKDONJSA-N 1 0 254.761 2.182 10 0 CEAERO COC1(C[NH+]2CCC3(CCOCC3)CC2)CCC1 ZINC000336271638 284702186 /nfs/dbraw/zinc/70/21/86/284702186.db2.gz GKLLFDYQULPSMG-UHFFFAOYSA-N 1 0 253.386 2.448 10 0 CEAERO CCC(=O)CCC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000300117718 379154675 /nfs/dbraw/zinc/15/46/75/379154675.db2.gz DGCVMRHFXLZOKB-DZGCQCFKSA-N 1 0 253.386 2.373 10 0 CEAERO Cc1ccc(CN(C)C(=O)[C@]2(C)CCC[NH2+]2)s1 ZINC000515053677 379180428 /nfs/dbraw/zinc/18/04/28/379180428.db2.gz IZWHAIKBIKPFHP-ZDUSSCGKSA-N 1 0 252.383 2.157 10 0 CEAERO Cn1cc([C@@H](CNc2nc3ccccc3o2)[NH+](C)C)cn1 ZINC000301269503 379239443 /nfs/dbraw/zinc/23/94/43/379239443.db2.gz GLLCCYNAJNEAJS-CYBMUJFWSA-N 1 0 285.351 2.276 10 0 CEAERO c1cn2c(nnc2C2CC2)c(NC2CC[NH+](C3CC3)CC2)n1 ZINC000302225109 379334266 /nfs/dbraw/zinc/33/42/66/379334266.db2.gz VCYRUGHBLRNXEL-UHFFFAOYSA-N 1 0 298.394 2.040 10 0 CEAERO COc1ccc(CNc2cc[nH+]cc2C(N)=O)cc1C ZINC000302235644 379342578 /nfs/dbraw/zinc/34/25/78/379342578.db2.gz VDNMQHCHTZGLHF-UHFFFAOYSA-N 1 0 271.320 2.110 10 0 CEAERO CC1CC(C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])C1 ZINC000520409461 379463784 /nfs/dbraw/zinc/46/37/84/379463784.db2.gz KSCWGHHDDUUCRB-HGMXIMQMSA-N 1 0 258.365 2.117 10 0 CEAERO OCCC[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)OCCO2 ZINC000304344249 379559268 /nfs/dbraw/zinc/55/92/68/379559268.db2.gz UCKJJMMOGPEOOH-CQSZACIVSA-N 1 0 277.364 2.195 10 0 CEAERO Cc1ccc([C@H](C)[NH2+]C[C@H](C)CS(C)(=O)=O)cc1F ZINC000181363976 542273367 /nfs/dbraw/zinc/27/33/67/542273367.db2.gz YKJDVYWUJTUWMT-JQWIXIFHSA-N 1 0 287.400 2.465 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)/C=C\c1ccc[nH]1 ZINC000491976809 380406210 /nfs/dbraw/zinc/40/62/10/380406210.db2.gz NVDFZRBEHZMJKA-WBTMPAOCSA-N 1 0 263.385 2.120 10 0 CEAERO C[C@H]1C[C@H](O)C[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000334748760 207012533 /nfs/dbraw/zinc/01/25/33/207012533.db2.gz YSTNITZUYAQRJC-WFASDCNBSA-N 1 0 256.349 2.438 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000037165227 542278708 /nfs/dbraw/zinc/27/87/08/542278708.db2.gz FERLNJOKDBAGOM-YUTCNCBUSA-N 1 0 297.420 2.044 10 0 CEAERO OCCC[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cn1 ZINC000554497308 380774966 /nfs/dbraw/zinc/77/49/66/380774966.db2.gz MOALBTYGMKSYPM-ZDUSSCGKSA-N 1 0 254.761 2.472 10 0 CEAERO C[C@H]([NH2+]CC(=O)N(C)CC1CCCCC1)[C@H]1CCCO1 ZINC000183109747 542287666 /nfs/dbraw/zinc/28/76/66/542287666.db2.gz PDQLTLPHUDSPMI-DZGCQCFKSA-N 1 0 282.428 2.182 10 0 CEAERO COCCC[C@H](C)C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000182274736 284921401 /nfs/dbraw/zinc/92/14/01/284921401.db2.gz YOZUBPIUXMRZDD-GOEBONIOSA-N 1 0 292.423 2.468 10 0 CEAERO Cc1ccccc1[C@H](CN1CCOCC1)[NH2+][C@@H]1C[C@@H]1C ZINC000183552360 542293301 /nfs/dbraw/zinc/29/33/01/542293301.db2.gz YGGBKMCVDSSZCM-UAGQMJEPSA-N 1 0 274.408 2.366 10 0 CEAERO C[C@@H](NC(=O)N1CC[C@H]([NH3+])C(C)(C)C1)C1CCCC1 ZINC000334954893 207350881 /nfs/dbraw/zinc/35/08/81/207350881.db2.gz DPWOZIHINWZHGE-YPMHNXCESA-N 1 0 267.417 2.334 10 0 CEAERO c1cncc(O[C@@H]2CC[N@@H+](CC[C@@H]3CCCO3)C2)c1 ZINC000189576126 542332204 /nfs/dbraw/zinc/33/22/04/542332204.db2.gz LJYHTKKRWKVLJM-DZGCQCFKSA-N 1 0 262.353 2.104 10 0 CEAERO C[C@]([NH3+])(C(=O)NCc1nc2ccccc2s1)C1CC1 ZINC000040810066 184548395 /nfs/dbraw/zinc/54/83/95/184548395.db2.gz UFTKPKAMDNFIEN-CQSZACIVSA-N 1 0 275.377 2.040 10 0 CEAERO CCC[C@@H](CSc1nnc2n1CCCCC2)[NH2+]C ZINC000081865833 184598538 /nfs/dbraw/zinc/59/85/38/184598538.db2.gz XLMVFYOYBVNUKC-NSHDSACASA-N 1 0 268.430 2.485 10 0 CEAERO CCC[NH2+][C@@](C)(CO)CCCN(C)CC(F)(F)F ZINC000085241183 184609303 /nfs/dbraw/zinc/60/93/03/184609303.db2.gz XKAQSVIAASXBJE-LLVKDONJSA-N 1 0 270.339 2.011 10 0 CEAERO Cc1nsc(N2CCC[C@@H](C[NH2+]C(C)(C)C)C2)n1 ZINC000087632915 184613019 /nfs/dbraw/zinc/61/30/19/184613019.db2.gz GPRFQNIKRLWDCI-NSHDSACASA-N 1 0 268.430 2.451 10 0 CEAERO CCN(C1CC1)S(=O)(=O)c1cccc(C[NH2+]C(C)C)c1 ZINC000088940849 184614429 /nfs/dbraw/zinc/61/44/29/184614429.db2.gz CDXNTYCMLFREDD-UHFFFAOYSA-N 1 0 296.436 2.358 10 0 CEAERO C[NH2+]Cc1cccc(CS(=O)(=O)N(C)C2CCCC2)c1 ZINC000088944009 184614999 /nfs/dbraw/zinc/61/49/99/184614999.db2.gz NLAZXGJEXYLVIW-UHFFFAOYSA-N 1 0 296.436 2.110 10 0 CEAERO CCC[NH2+]CCCS(=O)(=O)N(C)C1CCCCCC1 ZINC000088970547 184615615 /nfs/dbraw/zinc/61/56/15/184615615.db2.gz RKCWGMZQXXDFFJ-UHFFFAOYSA-N 1 0 290.473 2.361 10 0 CEAERO CC[NH2+]C[C@](C)(O)COc1c(C)ccc(C)c1C ZINC000090823822 184618318 /nfs/dbraw/zinc/61/83/18/184618318.db2.gz NLNDKTKGDPYYEH-HNNXBMFYSA-N 1 0 251.370 2.351 10 0 CEAERO CC(C)(O)CCn1cc(C[NH2+]C2CC2)c2cccnc21 ZINC000092801964 184627504 /nfs/dbraw/zinc/62/75/04/184627504.db2.gz MRTUCHLKODIHOP-UHFFFAOYSA-N 1 0 273.380 2.449 10 0 CEAERO CC1(C)C(CNC(=O)CC2CC[NH2+]CC2)C1(C)C ZINC000092818094 184628657 /nfs/dbraw/zinc/62/86/57/184628657.db2.gz LUAHPBXYOWPAOI-UHFFFAOYSA-N 1 0 252.402 2.175 10 0 CEAERO C[NH2+]C[C@@H]1CCO[C@H]1c1cc(Cl)c2c(c1)OCCO2 ZINC000092863008 184632772 /nfs/dbraw/zinc/63/27/72/184632772.db2.gz BSEKKAADVVIILB-TVQRCGJNSA-N 1 0 283.755 2.408 10 0 CEAERO COC(=O)[C@@H](C)[C@@H](C)[NH2+]CCOC1CCCCC1 ZINC000093029641 184643850 /nfs/dbraw/zinc/64/38/50/184643850.db2.gz FADBTIFWZHUVPV-NWDGAFQWSA-N 1 0 257.374 2.123 10 0 CEAERO C[NH2+]C[C@H]1CCCO[C@H]1c1cc(OC)cc(OC)c1 ZINC000092883262 184633585 /nfs/dbraw/zinc/63/35/85/184633585.db2.gz XQZAPUOMOJXWGP-IAQYHMDHSA-N 1 0 265.353 2.391 10 0 CEAERO COC(=O)c1cc(Cl)ccc1NC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000092951785 184636947 /nfs/dbraw/zinc/63/69/47/184636947.db2.gz JNRKCRAQKTVUPF-SCZZXKLOSA-N 1 0 296.754 2.063 10 0 CEAERO O=S1(=O)CC[C@H](C2(CCCc3ccccc3)C[NH2+]C2)C1 ZINC000093195374 184654917 /nfs/dbraw/zinc/65/49/17/184654917.db2.gz XPANZVLEQOZPIV-HNNXBMFYSA-N 1 0 293.432 2.034 10 0 CEAERO CCC[C@H](C[NH3+])[C@H](O)c1cc(OC)c(OC)cc1OC ZINC000093080803 184647089 /nfs/dbraw/zinc/64/70/89/184647089.db2.gz ZPFGFQSZABMTHL-BMIGLBTASA-N 1 0 283.368 2.121 10 0 CEAERO CN(CCc1cccs1)C(=O)C1(C)CC[NH2+]CC1 ZINC000093289616 184660839 /nfs/dbraw/zinc/66/08/39/184660839.db2.gz BOCPZHVRJTVZFZ-UHFFFAOYSA-N 1 0 266.410 2.139 10 0 CEAERO CC(C)(C)c1nsc(O[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000093219448 184656641 /nfs/dbraw/zinc/65/66/41/184656641.db2.gz XBSIOOGLTRLRJL-BDAKNGLRSA-N 1 0 255.387 2.484 10 0 CEAERO C[C@@H]1CCCC[C@@H]1[NH2+]C1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263482980 296339054 /nfs/dbraw/zinc/33/90/54/296339054.db2.gz GRFTVLIQBBKVSO-KKOFPSKJSA-N 1 0 294.439 2.482 10 0 CEAERO Cc1c(F)cccc1C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000335413070 208399944 /nfs/dbraw/zinc/39/99/44/208399944.db2.gz IWPYXZQXMFCRCL-MFKMUULPSA-N 1 0 250.317 2.004 10 0 CEAERO Cc1c(C[NH2+][C@H](C)CN(C)Cc2ccccc2)cnn1C ZINC000288701406 197148113 /nfs/dbraw/zinc/14/81/13/197148113.db2.gz YOZGKNJORUODSV-CQSZACIVSA-N 1 0 286.423 2.339 10 0 CEAERO NC1=[NH+]C[C@@]2(CCCSC2)N1Cc1ccccc1 ZINC000093357190 184666717 /nfs/dbraw/zinc/66/67/17/184666717.db2.gz KFBDHCCZJZXLHN-CQSZACIVSA-N 1 0 261.394 2.083 10 0 CEAERO CC(C)N1C(N)=[NH+]C[C@]1(C)CCc1ccc2c(c1)OCO2 ZINC000093374055 184667937 /nfs/dbraw/zinc/66/79/37/184667937.db2.gz SQIBQLADZFEKEN-INIZCTEOSA-N 1 0 289.379 2.145 10 0 CEAERO COCCN1C(=[NH2+])NC[C@@H]1c1ccc2ccccc2c1 ZINC000093380046 184669234 /nfs/dbraw/zinc/66/92/34/184669234.db2.gz WAFODGXEJNSWBF-OAHLLOKOSA-N 1 0 269.348 2.158 10 0 CEAERO C[C@]1(c2ccc(O)cc2)CNC(=[NH2+])N1C1CCCC1 ZINC000093392275 184670430 /nfs/dbraw/zinc/67/04/30/184670430.db2.gz QKPYYUOQFABCOL-OAHLLOKOSA-N 1 0 259.353 2.180 10 0 CEAERO CC[NH+](CC)CCNc1cccc(F)c1C(N)=S ZINC000093406865 184671313 /nfs/dbraw/zinc/67/13/13/184671313.db2.gz OSVVDRFMQARHLN-UHFFFAOYSA-N 1 0 269.389 2.214 10 0 CEAERO NC(=[NH2+])c1c(F)cccc1SC1CCOCC1 ZINC000093409355 184671567 /nfs/dbraw/zinc/67/15/67/184671567.db2.gz CZRPHTMSJJPRDS-UHFFFAOYSA-N 1 0 254.330 2.381 10 0 CEAERO C[NH+]1CCC(CNc2ncc(N)cc2Br)CC1 ZINC000093432978 184675039 /nfs/dbraw/zinc/67/50/39/184675039.db2.gz KMZVFBQVBLHZQI-UHFFFAOYSA-N 1 0 299.216 2.180 10 0 CEAERO CCC[C@H]1C[C@@H]([NH2+]CC(OCC)OCC)CCO1 ZINC000093446940 184676205 /nfs/dbraw/zinc/67/62/05/184676205.db2.gz QTNGMQAMIHIXFE-STQMWFEESA-N 1 0 259.390 2.323 10 0 CEAERO CNC(=O)c1cccc(N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000093451233 184676483 /nfs/dbraw/zinc/67/64/83/184676483.db2.gz WFHICLNNQNUDJR-OWCLPIDISA-N 1 0 287.407 2.379 10 0 CEAERO NC(=O)Cc1ccccc1N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000093452219 184677327 /nfs/dbraw/zinc/67/73/27/184677327.db2.gz WFLAGEOAMGPBQC-VNQPRFMTSA-N 1 0 287.407 2.047 10 0 CEAERO C[C@H](C[C@@H]1CCC[NH2+]1)Nc1ccc(-n2cccn2)nc1 ZINC000093463832 184678793 /nfs/dbraw/zinc/67/87/93/184678793.db2.gz ZYRNRQZZKYHSIU-OLZOCXBDSA-N 1 0 271.368 2.210 10 0 CEAERO Cn1cc(N[C@@H]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)ccc1=O ZINC000093471705 184680612 /nfs/dbraw/zinc/68/06/12/184680612.db2.gz WEXZHOSJVBDNKZ-SOUVJXGZSA-N 1 0 275.396 2.108 10 0 CEAERO [NH3+][C@@H]1CCC2(C[C@H]1SC1CCCC1)OCCO2 ZINC000081891166 177879593 /nfs/dbraw/zinc/87/95/93/177879593.db2.gz MXGHPMGMYZSZFB-VXGBXAGGSA-N 1 0 257.399 2.285 10 0 CEAERO C[NH2+][C@@H]1CCC(C)(C)C[C@@H]1Sc1nnc(C)n1C ZINC000081886354 177877916 /nfs/dbraw/zinc/87/79/16/177877916.db2.gz HPBVGEXFLORBGP-MNOVXSKESA-N 1 0 268.430 2.382 10 0 CEAERO CC[NH2+][C@@H](C)[C@@H](C)Sc1nnc2ccccn21 ZINC000081881018 177875701 /nfs/dbraw/zinc/87/57/01/177875701.db2.gz AZVKASKARXIKFN-VHSXEESVSA-N 1 0 250.371 2.208 10 0 CEAERO C[NH2+][C@H](CSc1n[nH]c(=O)n1C(C)C)c1ccccc1 ZINC000081879556 177873125 /nfs/dbraw/zinc/87/31/25/177873125.db2.gz VNNUOTRTWQBVLF-GFCCVEGCSA-N 1 0 292.408 2.205 10 0 CEAERO COCCS[C@H]1CCc2cc(OC)ccc2[C@H]1[NH3+] ZINC000081777820 177858216 /nfs/dbraw/zinc/85/82/16/177858216.db2.gz UIHCKAOXDPWPAO-UONOGXRCSA-N 1 0 267.394 2.389 10 0 CEAERO COc1ccc(OC)c([C@H]([NH3+])CSc2ncccn2)c1 ZINC000081871173 177869957 /nfs/dbraw/zinc/86/99/57/177869957.db2.gz PZGYFFAIAKGHOM-GFCCVEGCSA-N 1 0 291.376 2.286 10 0 CEAERO CCC[C@@H]([NH2+]C)[C@@H](CC)Sc1nnnn1C1CC1 ZINC000081867707 177868026 /nfs/dbraw/zinc/86/80/26/177868026.db2.gz PYZZJGOPUZJYTH-GHMZBOCLSA-N 1 0 269.418 2.267 10 0 CEAERO [NH3+][C@H]1CCC2(C[C@H]1SCc1ccco1)OCCO2 ZINC000081773213 177856616 /nfs/dbraw/zinc/85/66/16/177856616.db2.gz KSRSFOMYNYPEJF-NWDGAFQWSA-N 1 0 269.366 2.136 10 0 CEAERO C[C@@H]1CN([C@]2(C[NH3+])CCC[C@H](C3CC3)C2)C[C@H](C)O1 ZINC000081640288 177834700 /nfs/dbraw/zinc/83/47/00/177834700.db2.gz OBRXRFUQOZLUPJ-LQKXBSAESA-N 1 0 266.429 2.393 10 0 CEAERO CCC[C@@](C)(C[NH2+]C(C)(C)C)CN1CCn2cnnc2C1 ZINC000081541419 177812608 /nfs/dbraw/zinc/81/26/08/177812608.db2.gz HWIKQRUOSVWQEB-INIZCTEOSA-N 1 0 293.459 2.288 10 0 CEAERO COC[C@H]1CCN(c2ccnc(C[NH2+]C(C)(C)C)c2)C1 ZINC000081116918 177773334 /nfs/dbraw/zinc/77/33/34/177773334.db2.gz JYEKLJINPHAETO-ZDUSSCGKSA-N 1 0 277.412 2.442 10 0 CEAERO CC[C@@](C)(CO)[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000080898044 177724972 /nfs/dbraw/zinc/72/49/72/177724972.db2.gz QLXLPLGSLSWPPJ-STQMWFEESA-N 1 0 291.313 2.489 10 0 CEAERO NC(=O)c1ccccc1COCC1([NH3+])CCCCCC1 ZINC000080900238 177724558 /nfs/dbraw/zinc/72/45/58/177724558.db2.gz DQKIHFHUNNMTHX-UHFFFAOYSA-N 1 0 276.380 2.354 10 0 CEAERO C[C@@H]([NH3+])c1csc(N(C)CC2CCOCC2)n1 ZINC000080831963 177713557 /nfs/dbraw/zinc/71/35/57/177713557.db2.gz IHQFRPFVEZARNG-SECBINFHSA-N 1 0 255.387 2.026 10 0 CEAERO CN1CCC[C@@H]([NH3+])[C@@H]1c1cccc2c1OC(C)(C)C2 ZINC000080508509 177660500 /nfs/dbraw/zinc/66/05/00/177660500.db2.gz ZKFDAWKLTKZSMQ-KGLIPLIRSA-N 1 0 260.381 2.494 10 0 CEAERO CC[NH2+][C@H]1CCN([C@H](C)Cc2ccc(C)s2)C1=O ZINC000080247855 177631531 /nfs/dbraw/zinc/63/15/31/177631531.db2.gz LNANCBLFBZAVBJ-MFKMUULPSA-N 1 0 266.410 2.198 10 0 CEAERO Cc1ccc(C[C@H](C)[NH2+][C@@H]2CCCCNC2=O)s1 ZINC000080245129 177631051 /nfs/dbraw/zinc/63/10/51/177631051.db2.gz BBCPXRUNJIRVJV-GXFFZTMASA-N 1 0 266.410 2.246 10 0 CEAERO CCC[NH2+][C@@]1(C(=O)[O-])CC[C@H]([NH+]2CCC(C)CC2)C1 ZINC000093822843 184725616 /nfs/dbraw/zinc/72/56/16/184725616.db2.gz NTCCNYBGGNCSFJ-ZFWWWQNUSA-N 1 0 268.401 2.094 10 0 CEAERO CCc1ccccc1O[C@H]1CC[C@@]([NH2+]C(C)C)(C(N)=O)C1 ZINC000093846716 184731827 /nfs/dbraw/zinc/73/18/27/184731827.db2.gz PARHRPHZAONZPQ-YOEHRIQHSA-N 1 0 290.407 2.402 10 0 CEAERO CC(C)OCCOCC[C@H]1CCC[C@]1(CO)[NH2+]C1CC1 ZINC000093620608 184697155 /nfs/dbraw/zinc/69/71/55/184697155.db2.gz LDXSZOZEMGENLU-GDBMZVCRSA-N 1 0 285.428 2.101 10 0 CEAERO CCOc1ccccc1OCC[C@@H]1CCC[C@]1([NH3+])CO ZINC000093621097 184697381 /nfs/dbraw/zinc/69/73/81/184697381.db2.gz LWGDOMWCADKCIR-BBRMVZONSA-N 1 0 279.380 2.344 10 0 CEAERO CC(C)[NH2+][C@]1(C(N)=O)CCC[C@H]1CCOC1CCCC1 ZINC000093621575 184697541 /nfs/dbraw/zinc/69/75/41/184697541.db2.gz YGKZWCYKNOOMTN-XJKSGUPXSA-N 1 0 282.428 2.358 10 0 CEAERO C[NH2+][C@@]1(C(N)=O)CCC[C@@H]1CCOc1cccc(C)c1 ZINC000093624882 184698438 /nfs/dbraw/zinc/69/84/38/184698438.db2.gz SXOGCDNXEUWHEV-CJNGLKHVSA-N 1 0 276.380 2.008 10 0 CEAERO C[NH2+][C@@]1(C(N)=O)CCC[C@H]1CCSc1ccccc1 ZINC000093628531 184698734 /nfs/dbraw/zinc/69/87/34/184698734.db2.gz GTTZYKDEKBZEIG-WFASDCNBSA-N 1 0 278.421 2.412 10 0 CEAERO C[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCSc1cccs1 ZINC000093627669 184698802 /nfs/dbraw/zinc/69/88/02/184698802.db2.gz KXHKYVVALNLKQD-ZWNOBZJWSA-N 1 0 284.450 2.474 10 0 CEAERO [NH3+]C[C@@]1(O)CCC[C@H]1CCOc1ccccc1F ZINC000093628005 184699061 /nfs/dbraw/zinc/69/90/61/184699061.db2.gz WELORVPROIWCTK-FZMZJTMJSA-N 1 0 253.317 2.085 10 0 CEAERO CC[NH+]1CCC(N(C)c2ccc([C@H](C)O)c(O)c2)CC1 ZINC000093672452 184704113 /nfs/dbraw/zinc/70/41/13/184704113.db2.gz XVWSCCRWANXGJP-LBPRGKRZSA-N 1 0 278.396 2.366 10 0 CEAERO CSCc1noc(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000093679534 184705119 /nfs/dbraw/zinc/70/51/19/184705119.db2.gz JELBUMVFZRFQDB-PBINXNQUSA-N 1 0 253.371 2.006 10 0 CEAERO CCN[C@@]1(C(=O)OC)CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000093748935 184713454 /nfs/dbraw/zinc/71/34/54/184713454.db2.gz GURVWVDJKAZMDT-HOCLYGCPSA-N 1 0 282.428 2.326 10 0 CEAERO CCN[C@@]1(C(N)=O)CCC[C@@H]([NH+](CC(C)C)CC(C)C)C1 ZINC000093751232 184713957 /nfs/dbraw/zinc/71/39/57/184713957.db2.gz ARSKSOWFDLCEHA-WBVHZDCISA-N 1 0 297.487 2.377 10 0 CEAERO CCC[NH2+][C@@]1(CO)CCC[C@H](n2nc(C)cc2C)C1 ZINC000093784118 184721533 /nfs/dbraw/zinc/72/15/33/184721533.db2.gz VDDQYGBAVUECHA-GJZGRUSLSA-N 1 0 265.401 2.346 10 0 CEAERO C[NH2+][C@]1(CO)CCC[C@@H](Sc2ccccn2)C1 ZINC000093786651 184721884 /nfs/dbraw/zinc/72/18/84/184721884.db2.gz KVJFKJWGLMFTGM-DGCLKSJQSA-N 1 0 252.383 2.067 10 0 CEAERO COc1ccccc1O[C@H]1CCC[C@](CO)([NH2+]C2CC2)C1 ZINC000093785608 184721910 /nfs/dbraw/zinc/72/19/10/184721910.db2.gz OMZHPRMYLNBDIT-YOEHRIQHSA-N 1 0 291.391 2.500 10 0 CEAERO CCCOc1ccccc1O[C@@H]1CCC[C@]([NH3+])(CO)C1 ZINC000093785057 184722177 /nfs/dbraw/zinc/72/21/77/184722177.db2.gz GSQFRMIUKXEVPQ-CZUORRHYSA-N 1 0 279.380 2.487 10 0 CEAERO C[NH2+][C@]1(CO)CCC[C@H](Oc2ccc(F)cc2F)C1 ZINC000093785213 184722248 /nfs/dbraw/zinc/72/22/48/184722248.db2.gz CVRHPSHAVDEIOA-SMDDNHRTSA-N 1 0 271.307 2.237 10 0 CEAERO CCC[NH2+][C@@H](c1cc(C)ccc1F)[C@H]1CN(C)CCN1C ZINC000093895821 184740356 /nfs/dbraw/zinc/74/03/56/184740356.db2.gz HTOCZTGURJUJLM-SJORKVTESA-N 1 0 293.430 2.421 10 0 CEAERO CCC[NH2+][C@@H](c1cnccc1C)[C@@H]1CN(CC)CCO1 ZINC000093915517 184742390 /nfs/dbraw/zinc/74/23/90/184742390.db2.gz HAHLRXRAZCCPAD-HOTGVXAUSA-N 1 0 277.412 2.151 10 0 CEAERO CCCN(CC1CC[NH2+]CC1)C(=O)c1scnc1C ZINC000094022889 184751269 /nfs/dbraw/zinc/75/12/69/184751269.db2.gz BDCYTPHYSPNAPN-UHFFFAOYSA-N 1 0 281.425 2.303 10 0 CEAERO [NH3+][C@H]1CC[C@@H]2CN(c3ncc(Cl)cc3F)C[C@@H]2C1 ZINC000094052487 184752874 /nfs/dbraw/zinc/75/28/74/184752874.db2.gz KEEQLJQZRISKML-YWVKMMECSA-N 1 0 269.751 2.438 10 0 CEAERO CC[C@H](C)NC(=O)CC[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000094087927 184754891 /nfs/dbraw/zinc/75/48/91/184754891.db2.gz JPICPHRZLVFNHE-NHYWBVRUSA-N 1 0 275.396 2.151 10 0 CEAERO Cn1ccnc1C[C@@H]([NH3+])[C@H]1CCc2ccccc2C1 ZINC000094162268 184757470 /nfs/dbraw/zinc/75/74/70/184757470.db2.gz MDGFUCYFXFFTHJ-LSDHHAIUSA-N 1 0 255.365 2.095 10 0 CEAERO CCC[NH2+][C@@H](Cc1nc2ccccc2n1C)CN(C)C ZINC000094171911 184758933 /nfs/dbraw/zinc/75/89/33/184758933.db2.gz IIYVPURPKOOCMB-ZDUSSCGKSA-N 1 0 274.412 2.046 10 0 CEAERO Cn1c(C[C@](C)(O)C[NH2+]C(C)(C)C)nc2ccccc21 ZINC000094173315 184759260 /nfs/dbraw/zinc/75/92/60/184759260.db2.gz HWVXTUFTAYCUGK-INIZCTEOSA-N 1 0 275.396 2.255 10 0 CEAERO CC[C@H](C)[C@H]1CN(c2ccn(C)n2)[C@@H](CC)C[NH2+]1 ZINC000094197937 184762329 /nfs/dbraw/zinc/76/23/29/184762329.db2.gz DICIRTUFXPEMIE-RWMBFGLXSA-N 1 0 250.390 2.023 10 0 CEAERO C[C@H]([NH3+])Cc1nc(-c2ncc(Cl)cc2Cl)no1 ZINC000094199128 184762443 /nfs/dbraw/zinc/76/24/43/184762443.db2.gz UMUPFTMOGXCZHM-YFKPBYRVSA-N 1 0 273.123 2.328 10 0 CEAERO [NH3+]CCc1ccc(OC[C@H]2Cc3ccccc32)cn1 ZINC000094215402 184763917 /nfs/dbraw/zinc/76/39/17/184763917.db2.gz STEJAVJYIQWNFA-CYBMUJFWSA-N 1 0 254.333 2.302 10 0 CEAERO COCC[NH2+]CC[C@](C)(O)Cc1nc2ccccc2s1 ZINC000094252002 184769899 /nfs/dbraw/zinc/76/98/99/184769899.db2.gz PMSUJYPJRLUYKM-HNNXBMFYSA-N 1 0 294.420 2.216 10 0 CEAERO OCc1cc(F)c(OCC[NH+]2CCCCC2)c(F)c1 ZINC000094348786 184787083 /nfs/dbraw/zinc/78/70/83/184787083.db2.gz MARSZIOWCBPDRR-UHFFFAOYSA-N 1 0 271.307 2.322 10 0 CEAERO OCC1([NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)CCCCC1 ZINC000094371978 184790973 /nfs/dbraw/zinc/79/09/73/184790973.db2.gz KOYDKOVAWDTWRT-HIFRSBDPSA-N 1 0 285.453 2.326 10 0 CEAERO CC[NH2+][C@@H](CCCOC)[C@@H]1CCOC2(CCOCC2)C1 ZINC000094403975 184793424 /nfs/dbraw/zinc/79/34/24/184793424.db2.gz ZSKFZOFEQIMDKO-CABCVRRESA-N 1 0 285.428 2.367 10 0 CEAERO C[NH2+][C@H](c1cccnc1)[C@H]1CCOC2(CCOCC2)C1 ZINC000094398784 184793467 /nfs/dbraw/zinc/79/34/67/184793467.db2.gz GKHABOMSKJBCMJ-ZFWWWQNUSA-N 1 0 276.380 2.318 10 0 CEAERO CC(C)[NH2+]C[C@@H](O)[C@H]1CCOC2(CCSCC2)C1 ZINC000094418473 184794930 /nfs/dbraw/zinc/79/49/30/184794930.db2.gz DAZWHGKEYKGYDM-QWHCGFSZSA-N 1 0 273.442 2.038 10 0 CEAERO COC(=O)C[C@](C)(c1cc(F)c(C)cc1F)[C@@H](C)[NH3+] ZINC000094742490 184850587 /nfs/dbraw/zinc/85/05/87/184850587.db2.gz VAVWXISANRUDFN-OTYXRUKQSA-N 1 0 271.307 2.441 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[NH2+]C[C@@]1(C)CCCO1)O2 ZINC000094801735 184867607 /nfs/dbraw/zinc/86/76/07/184867607.db2.gz IIFYVTZRWOYMMV-GDBMZVCRSA-N 1 0 261.365 2.457 10 0 CEAERO C[C@@H]([NH3+])c1ccc(S(=O)(=O)N2CCC(C)(C)C2)cc1 ZINC000094805056 184869473 /nfs/dbraw/zinc/86/94/73/184869473.db2.gz LXYCJHWKUMHXQJ-LLVKDONJSA-N 1 0 282.409 2.127 10 0 CEAERO Cc1cc(C[C@@](C)([NH3+])c2cc(F)cc(F)c2)n(C)n1 ZINC000094829338 184876424 /nfs/dbraw/zinc/87/64/24/184876424.db2.gz CBSAYMGWBBSXFK-CQSZACIVSA-N 1 0 265.307 2.423 10 0 CEAERO CC[C@H](C)NC(=O)CC[NH2+][C@H]1CSCCC1(C)C ZINC000094483382 184808605 /nfs/dbraw/zinc/80/86/05/184808605.db2.gz ISKGJUZMANCCCN-RYUDHWBXSA-N 1 0 272.458 2.413 10 0 CEAERO CC[NH2+]C[C@H](C)c1nc([C@H]2CSCCS2)no1 ZINC000094495986 184810785 /nfs/dbraw/zinc/81/07/85/184810785.db2.gz SQOZUQVQVOYJQS-DTWKUNHWSA-N 1 0 273.427 2.304 10 0 CEAERO [NH3+][C@H](c1ccc2c(c1)OCCO2)[C@H]1CSCCS1 ZINC000094497134 184810796 /nfs/dbraw/zinc/81/07/96/184810796.db2.gz UZZPSSFXLJGCMF-CHWSQXEVSA-N 1 0 283.418 2.306 10 0 CEAERO CC(C)[C@H]([NH3+])Cc1nc([C@H]2CSCCS2)no1 ZINC000094500516 184810995 /nfs/dbraw/zinc/81/09/95/184810995.db2.gz DRHNFYUKRZDXQT-RKDXNWHRSA-N 1 0 273.427 2.117 10 0 CEAERO CCC[NH2+][C@H](c1cncc(F)c1)[C@@H]1CSCCO1 ZINC000094504894 184812379 /nfs/dbraw/zinc/81/23/79/184812379.db2.gz HSLSFRNJFACFIE-QWHCGFSZSA-N 1 0 270.373 2.393 10 0 CEAERO CCc1ccc(O)c(NC(=O)[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000094575265 184821029 /nfs/dbraw/zinc/82/10/29/184821029.db2.gz FWNKYAXLSUNXAV-RYUDHWBXSA-N 1 0 262.353 2.268 10 0 CEAERO CC[NH+]1CCC(CNc2nc3cc(C)ccn3n2)CC1 ZINC000094604839 184824906 /nfs/dbraw/zinc/82/49/06/184824906.db2.gz MILCYKCCJJKQMZ-UHFFFAOYSA-N 1 0 273.384 2.182 10 0 CEAERO CCN(c1nc2cccc(C)n2n1)C1CCC([NH3+])CC1 ZINC000094609161 184825910 /nfs/dbraw/zinc/82/59/10/184825910.db2.gz NENWXAYYLZHKTO-UHFFFAOYSA-N 1 0 273.384 2.134 10 0 CEAERO COc1ccc(C[C@@H]([NH3+])CCC[C@H]2CCCO2)cn1 ZINC000094632487 184830023 /nfs/dbraw/zinc/83/00/23/184830023.db2.gz CXCBETSXYWHPDI-KBPBESRZSA-N 1 0 264.369 2.309 10 0 CEAERO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000094647833 184833740 /nfs/dbraw/zinc/83/37/40/184833740.db2.gz GKHKNLAQLISDBI-ZJUUUORDSA-N 1 0 266.307 2.175 10 0 CEAERO Cc1ncccc1C(=O)N[C@@]1(C[NH3+])CCC[C@H](C)C1 ZINC000094649647 184835046 /nfs/dbraw/zinc/83/50/46/184835046.db2.gz SZZJQNNYAZDYLU-NHYWBVRUSA-N 1 0 261.369 2.027 10 0 CEAERO C[C@@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1ccc(O)cc1 ZINC000094690262 184839964 /nfs/dbraw/zinc/83/99/64/184839964.db2.gz UNAIEJKVNABGCP-WBMJQRKESA-N 1 0 260.381 2.355 10 0 CEAERO CC(C)C[C@@H](C[NH3+])C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000094697377 184841639 /nfs/dbraw/zinc/84/16/39/184841639.db2.gz CMJLHYNSIMASFC-LBPRGKRZSA-N 1 0 289.379 2.131 10 0 CEAERO COc1cc(F)ccc1NC(=O)[C@@H](C[NH3+])CC(C)C ZINC000094699773 184842249 /nfs/dbraw/zinc/84/22/49/184842249.db2.gz NIOWPCZTUAHEAC-SNVBAGLBSA-N 1 0 268.332 2.394 10 0 CEAERO COc1ccc([C@@H](C)NC(=O)[C@@H](C[NH3+])CC(C)C)cc1 ZINC000094700901 184842280 /nfs/dbraw/zinc/84/22/80/184842280.db2.gz LCFKIEWHJXRTSL-TZMCWYRMSA-N 1 0 278.396 2.493 10 0 CEAERO C[C@@H](C[NH3+])c1noc(Cc2cccc(F)c2F)n1 ZINC000094714194 184845569 /nfs/dbraw/zinc/84/55/69/184845569.db2.gz NQGTXRUYIOYQCJ-ZETCQYMHSA-N 1 0 253.252 2.001 10 0 CEAERO Cc1cc(C)cc(CS(=O)(=O)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000094719866 184846313 /nfs/dbraw/zinc/84/63/13/184846313.db2.gz CNQROLWOWJQCFB-CABCVRRESA-N 1 0 281.421 2.488 10 0 CEAERO c1csc(CN2CC[NH2+]C[C@H]2Cc2ccccc2)n1 ZINC000094979298 184909782 /nfs/dbraw/zinc/90/97/82/184909782.db2.gz DDWVNDOEXYOFDE-CQSZACIVSA-N 1 0 273.405 2.160 10 0 CEAERO CC1(C)CN(Cc2nccs2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000094979692 184910564 /nfs/dbraw/zinc/91/05/64/184910564.db2.gz XTACFYRCZBQMFM-CQSZACIVSA-N 1 0 265.426 2.496 10 0 CEAERO CCC[NH2+]C[C@@H]1CCN(c2ccc(OCC)nc2)C1 ZINC000094989571 184911265 /nfs/dbraw/zinc/91/12/65/184911265.db2.gz PREVRRTZNYIEPR-ZDUSSCGKSA-N 1 0 263.385 2.306 10 0 CEAERO C[NH2+]Cc1cccc(OCc2cccnc2OC)c1 ZINC000095005888 184913540 /nfs/dbraw/zinc/91/35/40/184913540.db2.gz IXHCIZNWOIYYGO-UHFFFAOYSA-N 1 0 258.321 2.389 10 0 CEAERO COc1ncccc1CN1CC[NH2+]C[C@H]1C1CCCCC1 ZINC000095011257 184915721 /nfs/dbraw/zinc/91/57/21/184915721.db2.gz XIODWWYHUNSMJT-INIZCTEOSA-N 1 0 289.423 2.444 10 0 CEAERO CSc1nccnc1COCC[C@H]1CCCC[NH2+]1 ZINC000095071956 184933579 /nfs/dbraw/zinc/93/35/79/184933579.db2.gz DIEQYYVQTOECKV-LLVKDONJSA-N 1 0 267.398 2.247 10 0 CEAERO c1ccc2nc(OC[C@H]3CC[NH2+]C3)c(NC3CC3)nc2c1 ZINC000095092672 184942145 /nfs/dbraw/zinc/94/21/45/184942145.db2.gz BBOVWSNXRWHVPP-NSHDSACASA-N 1 0 284.363 2.192 10 0 CEAERO CC(C)CC1(C[NH2+][C@H]2CCS(=O)(=O)C2)CCCC1 ZINC000094873694 184885340 /nfs/dbraw/zinc/88/53/40/184885340.db2.gz NGQCUNHYHKFZCF-ZDUSSCGKSA-N 1 0 273.442 2.370 10 0 CEAERO CCC[C@]1(C(=O)NCc2cscc2C)CC[NH2+]C1 ZINC000094877278 184886791 /nfs/dbraw/zinc/88/67/91/184886791.db2.gz XIQOCKMWFPNJQF-AWEZNQCLSA-N 1 0 266.410 2.453 10 0 CEAERO Cc1cc(CNC(=O)[C@@H]2[NH2+]CCC[C@@H]2C)cc(C)c1F ZINC000094894949 184889119 /nfs/dbraw/zinc/88/91/19/184889119.db2.gz SEFNEADPAMTDIP-ZUZCIYMTSA-N 1 0 278.371 2.447 10 0 CEAERO Cc1ccc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)c(N)c1 ZINC000094924189 184894661 /nfs/dbraw/zinc/89/46/61/184894661.db2.gz PSBOKPVKQZAGOW-ZDUSSCGKSA-N 1 0 275.396 2.181 10 0 CEAERO CCNc1cc(C)ccc1C(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000094929230 184896582 /nfs/dbraw/zinc/89/65/82/184896582.db2.gz ZEPHNAGMTNBLBK-AWEZNQCLSA-N 1 0 289.423 2.451 10 0 CEAERO CC[C@H](CC[NH3+])CNC(=O)CCc1cccc(C)c1 ZINC000094962067 184906388 /nfs/dbraw/zinc/90/63/88/184906388.db2.gz TYKWPHJQWSCTQK-CQSZACIVSA-N 1 0 262.397 2.419 10 0 CEAERO COc1ccc(C[NH3+])c(OCc2nccs2)c1 ZINC000094964747 184907389 /nfs/dbraw/zinc/90/73/89/184907389.db2.gz IOCKTGVIJNHIFF-UHFFFAOYSA-N 1 0 250.323 2.189 10 0 CEAERO C[C@@H]([NH2+]CC1(C)COC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400418522 533356694 /nfs/dbraw/zinc/35/66/94/533356694.db2.gz VZYWJJAWJDISKX-CHWSQXEVSA-N 1 0 298.427 2.258 10 0 CEAERO COc1cc(C)c(C[N@@H+]2C[C@@H](C)C[C@H](O)C2)cc1OC ZINC000401510981 533572679 /nfs/dbraw/zinc/57/26/79/533572679.db2.gz VYMHAGIEQPDKRU-FZMZJTMJSA-N 1 0 279.380 2.215 10 0 CEAERO Cc1ccc2cc(C[NH2+]C[C@@H](C)N3CCOCC3)ccc2n1 ZINC000189242253 129940078 /nfs/dbraw/zinc/94/00/78/129940078.db2.gz GOWZXAMZESQJPC-OAHLLOKOSA-N 1 0 299.418 2.354 10 0 CEAERO C[C@H](C[NH2+]C[C@H](C)N1CCOCC1)c1ccccc1 ZINC000237340574 131024841 /nfs/dbraw/zinc/02/48/41/131024841.db2.gz GFKSZJKJNQHNRA-CABCVRRESA-N 1 0 262.397 2.100 10 0 CEAERO C[C@@H]([NH3+])C(=O)N[C@H](CCc1ccccc1)C(F)(F)F ZINC000262098447 131191241 /nfs/dbraw/zinc/19/12/41/131191241.db2.gz CILQTNHEJNKYDM-MWLCHTKSSA-N 1 0 274.286 2.014 10 0 CEAERO C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@H]2CCc3ncnn3C2)o1 ZINC000262435642 131219974 /nfs/dbraw/zinc/21/99/74/131219974.db2.gz UHSOPKMTLJJKOL-NTZNESFSSA-N 1 0 272.352 2.099 10 0 CEAERO O=C(NCC1(Cc2ccc(F)cc2)CC1)C1CC[NH2+]CC1 ZINC000262575237 131235366 /nfs/dbraw/zinc/23/53/66/131235366.db2.gz OBRLVTWRJGQXPD-UHFFFAOYSA-N 1 0 290.382 2.264 10 0 CEAERO CCc1nc(-c2ccncc2)cc(N2CCC(C[NH3+])CC2)n1 ZINC000070456182 134442155 /nfs/dbraw/zinc/44/21/55/134442155.db2.gz RWTPAGSJKSSISZ-UHFFFAOYSA-N 1 0 297.406 2.276 10 0 CEAERO [NH3+]C1CCN(c2cncc(OCCC(F)(F)F)c2)CC1 ZINC000080947034 134497487 /nfs/dbraw/zinc/49/74/87/134497487.db2.gz JDQQISASOJARRM-UHFFFAOYSA-N 1 0 289.301 2.340 10 0 CEAERO C[NH2+]C[C@@H]1Cc2ccccc2CN1c1ncncc1Cl ZINC000097848573 134513672 /nfs/dbraw/zinc/51/36/72/134513672.db2.gz DDIIGXPQVVJNSP-ZDUSSCGKSA-N 1 0 288.782 2.281 10 0 CEAERO Cc1cccc(N2CCN([C@@H]3CCCC[C@@H]3[NH3+])CC2)c1 ZINC000040431879 134860274 /nfs/dbraw/zinc/86/02/74/134860274.db2.gz SKDXTPIZXNEJRN-DLBZAZTESA-N 1 0 273.424 2.387 10 0 CEAERO C[NH2+][C@H]1CCN(CCCC(=O)N(C)C)c2ccccc21 ZINC000071325604 134963974 /nfs/dbraw/zinc/96/39/74/134963974.db2.gz RGKLSOFDZDMPLK-AWEZNQCLSA-N 1 0 275.396 2.026 10 0 CEAERO CC[NH2+][C@@H]1CCN([C@@H](C)C(=O)NC(C)C)c2ccccc21 ZINC000071377848 134965112 /nfs/dbraw/zinc/96/51/12/134965112.db2.gz KBMTWYPAUIKDBF-DZGCQCFKSA-N 1 0 289.423 2.460 10 0 CEAERO CC[NH2+][C@@H]1CCN(Cc2cnn(C)c2)c2ccccc21 ZINC000071377860 134965164 /nfs/dbraw/zinc/96/51/64/134965164.db2.gz ANZYHISNDODCBP-OAHLLOKOSA-N 1 0 270.380 2.481 10 0 CEAERO Cc1cccc2c1N(C(=O)[C@H]1CCC[C@H]1[NH3+])CCC2 ZINC000085371954 135036444 /nfs/dbraw/zinc/03/64/44/135036444.db2.gz POPQDUHMNISBIN-UONOGXRCSA-N 1 0 258.365 2.402 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)N1CCSc2ccccc21 ZINC000085371868 135036456 /nfs/dbraw/zinc/03/64/56/135036456.db2.gz QHPIGMUHAXHXAW-MNOVXSKESA-N 1 0 262.378 2.253 10 0 CEAERO CCC[C@H]1CN(c2ccc(F)cc2OC)CC[NH2+]1 ZINC000086145075 135039426 /nfs/dbraw/zinc/03/94/26/135039426.db2.gz ZLHOOZMXOHLPFN-LBPRGKRZSA-N 1 0 252.333 2.413 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](C2CC2)CN1c1ccc(N(C)C)cc1 ZINC000086219022 135039664 /nfs/dbraw/zinc/03/96/64/135039664.db2.gz RDUCPYBNVNSWMO-MLGOLLRUSA-N 1 0 259.397 2.329 10 0 CEAERO C[C@H]1CC[C@H](C)N(c2nc(NN)[nH+]cc2Cl)C1 ZINC000087889663 135052138 /nfs/dbraw/zinc/05/21/38/135052138.db2.gz KIZLWQSEQHOCLT-YUMQZZPRSA-N 1 0 255.753 2.040 10 0 CEAERO [NH3+]Cc1cccc(N2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000088416165 135054247 /nfs/dbraw/zinc/05/42/47/135054247.db2.gz IBGWBEDYBVOGFJ-SECBINFHSA-N 1 0 259.275 2.319 10 0 CEAERO CC[NH2+]CCCCS(=O)(=O)N1CCCc2ccccc21 ZINC000088925047 135057645 /nfs/dbraw/zinc/05/76/45/135057645.db2.gz AOEMPAGHPLAHFO-UHFFFAOYSA-N 1 0 296.436 2.159 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1Nc1ccc(N2CCOCC2)cc1 ZINC000089147838 135058457 /nfs/dbraw/zinc/05/84/57/135058457.db2.gz MCLVHCGBROPPBA-XJKSGUPXSA-N 1 0 275.396 2.063 10 0 CEAERO COc1cc(N2CCC[C@H](C[NH2+]C(C)(C)C)C2)ncn1 ZINC000090783877 135064634 /nfs/dbraw/zinc/06/46/34/135064634.db2.gz JHVUEQIBWCDLAN-GFCCVEGCSA-N 1 0 278.400 2.090 10 0 CEAERO CCCOc1cc(N2CCCC[C@@H]2C[NH2+]C2CC2)ncn1 ZINC000090785464 135064816 /nfs/dbraw/zinc/06/48/16/135064816.db2.gz VUQLXBSFRPUEMH-CQSZACIVSA-N 1 0 290.411 2.376 10 0 CEAERO CC[C@H]1CN(c2cc(OC(C)C)ncn2)[C@@H](CC)C[NH2+]1 ZINC000090786176 135064987 /nfs/dbraw/zinc/06/49/87/135064987.db2.gz JPOLEQPHLSLUDG-STQMWFEESA-N 1 0 278.400 2.231 10 0 CEAERO C[NH+](C)[C@H]1CCCN(c2c(F)cc(C=O)cc2F)C1 ZINC000091392084 135068407 /nfs/dbraw/zinc/06/84/07/135068407.db2.gz OZJUCRKSDRTMGZ-NSHDSACASA-N 1 0 268.307 2.308 10 0 CEAERO C[NH+](C)[C@H]1CCCN(c2ccc(C=O)cc2F)C1 ZINC000091392352 135068467 /nfs/dbraw/zinc/06/84/67/135068467.db2.gz GJENEPJSRJPZJK-LBPRGKRZSA-N 1 0 250.317 2.169 10 0 CEAERO CC(=O)C(C)(C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000091401865 135068734 /nfs/dbraw/zinc/06/87/34/135068734.db2.gz YNMSDCDQCYQTKT-UHFFFAOYSA-N 1 0 260.381 2.424 10 0 CEAERO CC[NH2+]Cc1cncc(N2CCN(C)c3ccccc32)n1 ZINC000091421735 135069310 /nfs/dbraw/zinc/06/93/10/135069310.db2.gz LRXUBSGJXAXBNW-UHFFFAOYSA-N 1 0 283.379 2.174 10 0 CEAERO CCc1ccc(C(=O)N2C[C@H]([NH3+])Cc3ccccc32)o1 ZINC000091762835 135073915 /nfs/dbraw/zinc/07/39/15/135073915.db2.gz UYXUJNOOLFYQGK-GFCCVEGCSA-N 1 0 270.332 2.372 10 0 CEAERO Cc1ccc2c(c1)CCCN2C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092201679 135075920 /nfs/dbraw/zinc/07/59/20/135075920.db2.gz FWVYPBHJQVFNQR-ZIAGYGMSSA-N 1 0 256.349 2.178 10 0 CEAERO Cc1cccc(CN2C[C@@H]([NH3+])Cc3ccccc32)n1 ZINC000092431334 135076266 /nfs/dbraw/zinc/07/62/66/135076266.db2.gz GNXLRFRHBJAPBJ-AWEZNQCLSA-N 1 0 253.349 2.280 10 0 CEAERO C[C@H]1[NH2+]CC[C@H]1CN1CCN(c2ccccc2Cl)CC1 ZINC000092957710 135077485 /nfs/dbraw/zinc/07/74/85/135077485.db2.gz MENMDHMLGPQRLA-KGLIPLIRSA-N 1 0 293.842 2.460 10 0 CEAERO CCC[C@H](C[NH3+])[C@H](O)c1ccc2c(c1)CCCN2C ZINC000093083322 135078786 /nfs/dbraw/zinc/07/87/86/135078786.db2.gz MHAVYXUALRPNDA-GDBMZVCRSA-N 1 0 262.397 2.477 10 0 CEAERO CC(C)[NH2+]C[C@@H]1CCCN(c2cccc(F)c2C(N)=O)C1 ZINC000093409473 135080990 /nfs/dbraw/zinc/08/09/90/135080990.db2.gz RMMMZEQRVQQZHW-LBPRGKRZSA-N 1 0 293.386 2.139 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1CCN1c2ccccc2CCC1=O ZINC000093556449 135081415 /nfs/dbraw/zinc/08/14/15/135081415.db2.gz QURWQOYAFPLNDK-JSGCOSHPSA-N 1 0 258.365 2.483 10 0 CEAERO COC(=O)C(C)(C)C[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000093718088 135081976 /nfs/dbraw/zinc/08/19/76/135081976.db2.gz LLSYCCKWUVVWKI-UHFFFAOYSA-N 1 0 290.407 2.316 10 0 CEAERO Nc1ccc(N2CCC[C@@H](C(F)(F)F)C2)[nH+]c1N ZINC000094260603 135084400 /nfs/dbraw/zinc/08/44/00/135084400.db2.gz WGUVOJJWCSEFGL-SSDOTTSWSA-N 1 0 260.263 2.025 10 0 CEAERO CC1(C)CC[C@H](C[NH+]2CCN(c3ccccn3)CC2)[C@H]1O ZINC000094319370 135086098 /nfs/dbraw/zinc/08/60/98/135086098.db2.gz XJNLVYONPVNUQS-GDBMZVCRSA-N 1 0 289.423 2.001 10 0 CEAERO Cc1cc(N2CC[N@@H+]3CCCC[C@@H]3C2)ccc1CO ZINC000094439810 135087601 /nfs/dbraw/zinc/08/76/01/135087601.db2.gz AWNNRNSNVLPADX-MRXNPFEDSA-N 1 0 260.381 2.162 10 0 CEAERO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000300220603 394454288 /nfs/dbraw/zinc/45/42/88/394454288.db2.gz FSRQPBNICQOHMR-YVECIDJPSA-N 1 0 298.427 2.303 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]2CN(c3ccc(Cl)cn3)C[C@H]21 ZINC000228549481 394475655 /nfs/dbraw/zinc/47/56/55/394475655.db2.gz KAQLMQHYJKKCJU-MVWJERBFSA-N 1 0 251.761 2.299 10 0 CEAERO CC(C)c1nc2c(n1C)CC[N@@H+]([C@H]1CCCC[C@H]1O)C2 ZINC000245574921 394501772 /nfs/dbraw/zinc/50/17/72/394501772.db2.gz ARYMYSWRASESJH-LSDHHAIUSA-N 1 0 277.412 2.205 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)/C=C\c1ccccc1 ZINC000255908696 394593931 /nfs/dbraw/zinc/59/39/31/394593931.db2.gz IKAZIADXWMWNSP-NRXPATIISA-N 1 0 270.376 2.395 10 0 CEAERO CC(C)C[C@@H](C)[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000089733347 394649984 /nfs/dbraw/zinc/64/99/84/394649984.db2.gz CJZKGXYVZHPXIO-KGLIPLIRSA-N 1 0 262.401 2.470 10 0 CEAERO C[C@@H]1CCC[C@H](NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000105151919 394721770 /nfs/dbraw/zinc/72/17/70/394721770.db2.gz QFOOXXZKLGWIPR-QLFBSQMISA-N 1 0 279.428 2.445 10 0 CEAERO CC(C)c1nc2c(n1C)CCN(C[C@@H]1CCCO1)C2 ZINC000106371975 394724754 /nfs/dbraw/zinc/72/47/54/394724754.db2.gz VBJIEDXQTRUKGN-LBPRGKRZSA-N 1 0 263.385 2.081 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)C[C@@H]2CCOc3ccccc32)C1 ZINC000117786610 394759653 /nfs/dbraw/zinc/75/96/53/394759653.db2.gz CTALCTGTNVFFTB-KBPBESRZSA-N 1 0 288.391 2.105 10 0 CEAERO CC[C@@](C)(O)C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000119094426 394764293 /nfs/dbraw/zinc/76/42/93/394764293.db2.gz ANUMRISLLDDWCC-SWLSCSKDSA-N 1 0 286.416 2.040 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC2CCCCC2)C1 ZINC000130789631 394896559 /nfs/dbraw/zinc/89/65/59/394896559.db2.gz MXOXLYCOMMIFMV-OCCSQVGLSA-N 1 0 267.417 2.347 10 0 CEAERO Cc1cc(N2CCC([N@H+]3CCC[C@H]3C)CC2)ncn1 ZINC000154928257 395024736 /nfs/dbraw/zinc/02/47/36/395024736.db2.gz MZLXEHSMVKQBTA-CYBMUJFWSA-N 1 0 260.385 2.238 10 0 CEAERO CC[C@](C)(O)C[N@@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000161950519 395068618 /nfs/dbraw/zinc/06/86/18/395068618.db2.gz XGJUUHNYHZMKQS-ZFWWWQNUSA-N 1 0 280.416 2.199 10 0 CEAERO C[C@@H]1CCC[C@@H](NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000171902100 395099316 /nfs/dbraw/zinc/09/93/16/395099316.db2.gz 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251.374 2.407 10 0 CEAERO C[C@H](C[C@H](C)O)[NH2+][C@@H]1CCN(CCc2ccccc2)C1 ZINC000228089943 153358013 /nfs/dbraw/zinc/35/80/13/153358013.db2.gz XWZXKOKINBPOKS-HLLBOEOZSA-N 1 0 276.424 2.052 10 0 CEAERO Cc1ccc([C@@H]([NH3+])C(=O)NCc2ccsc2)cc1 ZINC000228080395 153358093 /nfs/dbraw/zinc/35/80/93/153358093.db2.gz VSHVORAIWDOEBL-CYBMUJFWSA-N 1 0 260.362 2.373 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]CC2(SC)CC2)C12CCOCC2 ZINC000193813436 286384830 /nfs/dbraw/zinc/38/48/30/286384830.db2.gz QKKJHFOCGJTKDM-QWHCGFSZSA-N 1 0 285.453 2.446 10 0 CEAERO CO[C@H](C)c1nsc(N[C@@H](C[NH3+])C2CCCC2)n1 ZINC000261589605 153782710 /nfs/dbraw/zinc/78/27/10/153782710.db2.gz WKTRNUVXZHNLCY-SCZZXKLOSA-N 1 0 270.402 2.175 10 0 CEAERO Cc1ccc(NC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC000261593692 153783136 /nfs/dbraw/zinc/78/31/36/153783136.db2.gz NBUWIRNVSVDWOO-OLZOCXBDSA-N 1 0 259.353 2.068 10 0 CEAERO O=C(CC[C@H]1CCC[NH2+]1)NCCc1ccc(F)cc1 ZINC000261667625 153808202 /nfs/dbraw/zinc/80/82/02/153808202.db2.gz ZSXZYVPTAWEHCI-CQSZACIVSA-N 1 0 264.344 2.017 10 0 CEAERO C[C@H](C(=O)N(C)c1ccccc1)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261756085 153831761 /nfs/dbraw/zinc/83/17/61/153831761.db2.gz LLDCMOAXXDRESL-UKRRQHHQSA-N 1 0 289.423 2.097 10 0 CEAERO CC1(C)CN(Cc2nc(-c3cccs3)no2)CC[C@H]1[NH3+] ZINC000261825515 153852800 /nfs/dbraw/zinc/85/28/00/153852800.db2.gz UFMXAILCAIKFGX-LLVKDONJSA-N 1 0 292.408 2.357 10 0 CEAERO C[C@H](OCc1ccccc1)C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261871273 153863258 /nfs/dbraw/zinc/86/32/58/153863258.db2.gz OGDHXDCYQQSNNQ-DZGCQCFKSA-N 1 0 290.407 2.178 10 0 CEAERO C[C@@H](Oc1cccc(F)c1)C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261934166 153881259 /nfs/dbraw/zinc/88/12/59/153881259.db2.gz IVUODUMVIOOYDG-BXUZGUMPSA-N 1 0 294.370 2.179 10 0 CEAERO C[C@H]1CN(Cc2cnc(C3CCC3)s2)C[C@@H]1[NH3+] ZINC000262026989 153898135 /nfs/dbraw/zinc/89/81/35/153898135.db2.gz NRBDTCGNGNWMHZ-CABZTGNLSA-N 1 0 251.399 2.190 10 0 CEAERO CC(C)Nc1ncccc1C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262029983 153898460 /nfs/dbraw/zinc/89/84/60/153898460.db2.gz PHPPLMQDRKMSGX-CYBMUJFWSA-N 1 0 290.411 2.101 10 0 CEAERO CC(=O)Nc1ccc(Cl)c(NC(=O)[C@@H](C)C2C[NH2+]C2)c1 ZINC000262169353 153919629 /nfs/dbraw/zinc/91/96/29/153919629.db2.gz KBZNKQOILYMGFK-QMMMGPOBSA-N 1 0 295.770 2.092 10 0 CEAERO COc1ccc(-c2ccnc(N3CCC[C@@H](C[NH3+])C3)n2)cc1 ZINC000262521269 153956275 /nfs/dbraw/zinc/95/62/75/153956275.db2.gz ODKQECCEECFXCH-ZDUSSCGKSA-N 1 0 298.390 2.327 10 0 CEAERO [NH3+][C@@H]1CCC[C@H](C(=O)Nc2ccnc3ccncc32)C1 ZINC000262659154 153970915 /nfs/dbraw/zinc/97/09/15/153970915.db2.gz WNHKVMYJDIMEHH-WDEREUQCSA-N 1 0 270.336 2.086 10 0 CEAERO C[NH2+]CCN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000263113398 154021569 /nfs/dbraw/zinc/02/15/69/154021569.db2.gz FGKXEABNMUFRKY-NEPJUHHUSA-N 1 0 298.333 2.069 10 0 CEAERO Cc1ccc(-c2nc([C@H]3C[NH2+]CCN3C)no2)cc1Cl ZINC000263301506 154051779 /nfs/dbraw/zinc/05/17/79/154051779.db2.gz XAZWFTKPTDHJDW-GFCCVEGCSA-N 1 0 292.770 2.275 10 0 CEAERO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1C[NH2+]C1 ZINC000263291609 154052132 /nfs/dbraw/zinc/05/21/32/154052132.db2.gz LOJUFCKWYSPRKO-MRVPVSSYSA-N 1 0 287.190 2.260 10 0 CEAERO CN(C)c1nccnc1NC[C@H](C1CCCCC1)[NH+](C)C ZINC000302192341 154189532 /nfs/dbraw/zinc/18/95/32/154189532.db2.gz MFCQFYDZZJPAKT-CQSZACIVSA-N 1 0 291.443 2.465 10 0 CEAERO CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)C1 ZINC000261938503 286696155 /nfs/dbraw/zinc/69/61/55/286696155.db2.gz MPAJQLMCVUKRLU-UYJHQMFVSA-N 1 0 298.496 2.407 10 0 CEAERO CCOCC[N@@H+]1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000151117218 162303299 /nfs/dbraw/zinc/30/32/99/162303299.db2.gz UGAQFHMFCQFOFT-AWEZNQCLSA-N 1 0 263.385 2.160 10 0 CEAERO C[C@H](C(=O)NCc1ccc(C(F)(F)F)cc1)C1C[NH2+]C1 ZINC000164515121 162334463 /nfs/dbraw/zinc/33/44/63/162334463.db2.gz BLWDVWQGWJLXPN-VIFPVBQESA-N 1 0 286.297 2.177 10 0 CEAERO CCOc1ccc(OCC)c(NC(=O)[C@H](C)C2C[NH2+]C2)c1 ZINC000163812578 162335406 /nfs/dbraw/zinc/33/54/06/162335406.db2.gz KTYMHQNWNDYVRG-LLVKDONJSA-N 1 0 292.379 2.278 10 0 CEAERO CCc1onc(C)c1C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000164659990 162336577 /nfs/dbraw/zinc/33/65/77/162336577.db2.gz PYYZUVPZLJVNFX-GFCCVEGCSA-N 1 0 281.400 2.252 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1csc(Br)c1 ZINC000261536515 162541740 /nfs/dbraw/zinc/54/17/40/162541740.db2.gz RZVXRJINKDTSLI-HTRCEHHLSA-N 1 0 289.198 2.072 10 0 CEAERO C[NH2+][C@@H](C)CNc1ncc(Br)cc1C ZINC000261529471 162542177 /nfs/dbraw/zinc/54/21/77/162542177.db2.gz SMKAJKBCTDLWFD-QMMMGPOBSA-N 1 0 258.163 2.172 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1ccc(F)c(Cl)c1 ZINC000261541809 162545145 /nfs/dbraw/zinc/54/51/45/162545145.db2.gz BLUHYXANNBCOTB-WRWORJQWSA-N 1 0 256.708 2.041 10 0 CEAERO CCOc1ccccc1C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261627086 162549859 /nfs/dbraw/zinc/54/98/59/162549859.db2.gz ASVJRNSFSBHJQD-AWEZNQCLSA-N 1 0 276.380 2.285 10 0 CEAERO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](C)N1CCOCC1 ZINC000181738040 287036808 /nfs/dbraw/zinc/03/68/08/287036808.db2.gz LFPHJDICAAJBPJ-KFWWJZLASA-N 1 0 254.418 2.266 10 0 CEAERO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1ccncc1Cl ZINC000134525692 165030868 /nfs/dbraw/zinc/03/08/68/165030868.db2.gz PFEZSDXKKAIFMD-UHFFFAOYSA-N 1 0 287.750 2.268 10 0 CEAERO CCC(CC)CNC(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000171654648 165050958 /nfs/dbraw/zinc/05/09/58/165050958.db2.gz LSNJVXMJWWMWOZ-ZDUSSCGKSA-N 1 0 255.406 2.206 10 0 CEAERO Cc1csc([C@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)n1 ZINC000173587741 165073824 /nfs/dbraw/zinc/07/38/24/165073824.db2.gz MKNRCXJNUGDALB-ZDUSSCGKSA-N 1 0 295.452 2.498 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cccc2c1OCCO2 ZINC000175342727 165134453 /nfs/dbraw/zinc/13/44/53/165134453.db2.gz MHSZVOMWKHFATN-HNNXBMFYSA-N 1 0 290.407 2.374 10 0 CEAERO Cc1nnc([C@H]2CN(c3cc[nH+]c4ccccc43)CCO2)[nH]1 ZINC000175777786 165145910 /nfs/dbraw/zinc/14/59/10/165145910.db2.gz NMXFTJAOWWMUBN-OAHLLOKOSA-N 1 0 295.346 2.239 10 0 CEAERO CCCSCC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000177026114 165183670 /nfs/dbraw/zinc/18/36/70/165183670.db2.gz QPQVQMBRNUDFTL-LBPRGKRZSA-N 1 0 258.431 2.072 10 0 CEAERO O=C(NCC1CCCCCCC1)[C@H]1CCC[NH2+]C1 ZINC000178043730 165221258 /nfs/dbraw/zinc/22/12/58/165221258.db2.gz SEWWZEOMHZDVGE-AWEZNQCLSA-N 1 0 252.402 2.463 10 0 CEAERO CC[C@H](CSC)NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000179969554 165295204 /nfs/dbraw/zinc/29/52/04/165295204.db2.gz YVTJLCSCHPPUCR-XQQFMLRXSA-N 1 0 285.457 2.006 10 0 CEAERO c1cn2c(cccc2C[NH+]2CCC(c3cc[nH]n3)CC2)n1 ZINC000179981698 165297006 /nfs/dbraw/zinc/29/70/06/165297006.db2.gz BATDUFWZHJFEGI-UHFFFAOYSA-N 1 0 281.363 2.437 10 0 CEAERO CC[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1cccs1 ZINC000180579605 165314074 /nfs/dbraw/zinc/31/40/74/165314074.db2.gz RNHATTVCNPDYHZ-WDEREUQCSA-N 1 0 262.382 2.395 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1ccoc1 ZINC000180930894 165326119 /nfs/dbraw/zinc/32/61/19/165326119.db2.gz TUDFOZXXOMQJSY-TZMCWYRMSA-N 1 0 272.352 2.389 10 0 CEAERO Cc1cc(NC(=O)CCCCC[n+]2ccccc2)no1 ZINC000002157223 169777752 /nfs/dbraw/zinc/77/77/52/169777752.db2.gz WRLINHFSMJZPFU-UHFFFAOYSA-O 1 0 274.344 2.470 10 0 CEAERO COc1ccc([C@@H]2C[C@@H](C)C[NH2+]2)c(OC)c1OC ZINC000003704246 169908548 /nfs/dbraw/zinc/90/85/48/169908548.db2.gz GUCWSHDPYSMILG-KOLCDFICSA-N 1 0 251.326 2.383 10 0 CEAERO [NH3+]C[C@@H](c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000008031278 170315278 /nfs/dbraw/zinc/31/52/78/170315278.db2.gz VFBPIPNDJUJURY-AWEZNQCLSA-N 1 0 297.326 2.439 10 0 CEAERO COc1ccc([C@@H](C[NH3+])S(=O)(=O)c2ccccc2)cc1 ZINC000008037301 170315493 /nfs/dbraw/zinc/31/54/93/170315493.db2.gz DRLRWBXTESCSDL-OAHLLOKOSA-N 1 0 291.372 2.169 10 0 CEAERO CC(C)CCNC(=O)CCC[NH+]1CCC([C@@H](C)CO)CC1 ZINC000013895036 170607090 /nfs/dbraw/zinc/60/70/90/170607090.db2.gz BOMZPSVJVBLAEL-HNNXBMFYSA-N 1 0 298.471 2.269 10 0 CEAERO CC[NH+](CC)CCCNC(=O)[C@H]1CCc2ccccc2N1 ZINC000019433157 170798501 /nfs/dbraw/zinc/79/85/01/170798501.db2.gz CPEGREKQWBVARR-MRXNPFEDSA-N 1 0 289.423 2.261 10 0 CEAERO O=C(NCC[C@H]1CCCC[NH2+]1)c1ccc(F)c(F)c1 ZINC000019436734 170800145 /nfs/dbraw/zinc/80/01/45/170800145.db2.gz FVPFXRJDYLELHG-LLVKDONJSA-N 1 0 268.307 2.227 10 0 CEAERO CC(C)[C@H](CN[C@@H]1COc2cc(O)ccc21)[NH+](C)C ZINC000020145796 171031181 /nfs/dbraw/zinc/03/11/81/171031181.db2.gz ZSHCUSBSMKGUBG-KGLIPLIRSA-N 1 0 264.369 2.002 10 0 CEAERO CC(=O)NCC[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000020148828 171036808 /nfs/dbraw/zinc/03/68/08/171036808.db2.gz FVMRBCHBGMMQPV-SECBINFHSA-N 1 0 274.286 2.492 10 0 CEAERO CC(=O)NCC[NH2+][C@@H](C)c1nc2ccccc2s1 ZINC000020148966 171037350 /nfs/dbraw/zinc/03/73/50/171037350.db2.gz HDYVRIPPTNIKGT-VIFPVBQESA-N 1 0 263.366 2.083 10 0 CEAERO Cc1c(C(=O)Nc2cccc([C@@H](C)[NH3+])c2)cnn1C ZINC000020251759 171104652 /nfs/dbraw/zinc/10/46/52/171104652.db2.gz FOLPMOJEASUACJ-SECBINFHSA-N 1 0 258.325 2.001 10 0 CEAERO C[C@@H]([NH3+])c1ccc(O[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000020419341 171183665 /nfs/dbraw/zinc/18/36/65/171183665.db2.gz JFZUDHKMIIMWIJ-GHMZBOCLSA-N 1 0 264.369 2.388 10 0 CEAERO CCN(CC)C(=O)[C@H](C)Oc1ccc([C@H](C)[NH3+])cc1 ZINC000020419208 171183904 /nfs/dbraw/zinc/18/39/04/171183904.db2.gz ADPWRILCPUYBEZ-RYUDHWBXSA-N 1 0 264.369 2.342 10 0 CEAERO COc1cccc([C@@H]([NH3+])c2ccc3c(c2)CC(=O)N3C)c1 ZINC000020431194 171196079 /nfs/dbraw/zinc/19/60/79/171196079.db2.gz YPNFIYXMOUAXNG-QGZVFWFLSA-N 1 0 282.343 2.262 10 0 CEAERO O=C(NCc1ccccc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000020563985 171253044 /nfs/dbraw/zinc/25/30/44/171253044.db2.gz ZCDSMRXWNBVFTJ-OAHLLOKOSA-N 1 0 273.380 2.066 10 0 CEAERO O=C(NCCc1ccccc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000020563995 171253185 /nfs/dbraw/zinc/25/31/85/171253185.db2.gz XVTVURQJABBHOG-INIZCTEOSA-N 1 0 287.407 2.109 10 0 CEAERO NC(=O)C[C@H]([NH3+])c1ccc(SC(F)(F)F)cc1 ZINC000020578115 171256189 /nfs/dbraw/zinc/25/61/89/171256189.db2.gz PGAVGAVRAADTRP-QMMMGPOBSA-N 1 0 264.272 2.174 10 0 CEAERO C[NH+](C)CCCN1C(=S)N=NC1c1cccs1 ZINC000020591239 171261506 /nfs/dbraw/zinc/26/15/06/171261506.db2.gz NZCCFXQQGUAMLC-UHFFFAOYSA-N 1 0 268.411 2.247 10 0 CEAERO CCCC[NH2+]Cc1ccc(OCCO)c(OCC)c1 ZINC000020934570 171281147 /nfs/dbraw/zinc/28/11/47/171281147.db2.gz SJVKCKRYNOHAPA-UHFFFAOYSA-N 1 0 267.369 2.346 10 0 CEAERO CCOc1ccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000021167796 171298777 /nfs/dbraw/zinc/29/87/77/171298777.db2.gz IAIAIVAPSUTRNW-CQSZACIVSA-N 1 0 289.379 2.397 10 0 CEAERO CCOc1cc(C[NH2+]CCN(C)C)ccc1OC(F)F ZINC000021968007 171344128 /nfs/dbraw/zinc/34/41/28/171344128.db2.gz AAQLLKXVNJRZLA-UHFFFAOYSA-N 1 0 288.338 2.338 10 0 CEAERO CC(C)[NH+](CCNC[C@@H](O)c1ccccc1)C(C)C ZINC000022037993 171350130 /nfs/dbraw/zinc/35/01/30/171350130.db2.gz ZWQNLUVBOWKUDY-MRXNPFEDSA-N 1 0 264.413 2.428 10 0 CEAERO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](C)C2)c(N)c1 ZINC000022151440 171358489 /nfs/dbraw/zinc/35/84/89/171358489.db2.gz VMLVTILQDOPPGQ-GFCCVEGCSA-N 1 0 291.395 2.338 10 0 CEAERO CC[NH+](CC)[C@H](C)C(=O)Nc1ccc(F)c(N)c1 ZINC000022156413 171362451 /nfs/dbraw/zinc/36/24/51/171362451.db2.gz LCPILZOBRBXUSC-SECBINFHSA-N 1 0 253.321 2.077 10 0 CEAERO CC[NH+](CC)[C@H](C)C(=O)Nc1ccc(F)cc1N ZINC000022155664 171362706 /nfs/dbraw/zinc/36/27/06/171362706.db2.gz PJXKZCBIAQSILC-SECBINFHSA-N 1 0 253.321 2.077 10 0 CEAERO Cc1c(N)cccc1NC(=O)C[N@H+]1CCC[C@@H](C)C1 ZINC000022156504 171363205 /nfs/dbraw/zinc/36/32/05/171363205.db2.gz SFZXWCFRTWATMV-LLVKDONJSA-N 1 0 261.369 2.248 10 0 CEAERO COc1cc([C@@H](C[NH3+])N(C)C(C)C)cc(OC)c1OC ZINC000022172335 171368615 /nfs/dbraw/zinc/36/86/15/171368615.db2.gz PQIKWFFDPULFSR-GFCCVEGCSA-N 1 0 282.384 2.052 10 0 CEAERO COc1ccc(NC(=O)CCC[N@H+](C)C(C)C)c(N)c1 ZINC000022215308 171375313 /nfs/dbraw/zinc/37/53/13/171375313.db2.gz PGOSRKPGZWACAH-UHFFFAOYSA-N 1 0 279.384 2.336 10 0 CEAERO C[C@H]1[C@H](NC(=O)COc2ccc(C[NH3+])cc2)CCC[C@@H]1C ZINC000022215532 171375565 /nfs/dbraw/zinc/37/55/65/171375565.db2.gz YBJOZNYCKQBZFR-WOSRLPQWSA-N 1 0 290.407 2.465 10 0 CEAERO [NH3+]C[C@H](c1cccnc1)N1CCc2ccccc2C1 ZINC000022216045 171375714 /nfs/dbraw/zinc/37/57/14/171375714.db2.gz JHLCTKRJCCGYFE-MRXNPFEDSA-N 1 0 253.349 2.140 10 0 CEAERO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](N)c2ccc3c(c2)OCO3)C1 ZINC000022563082 171391093 /nfs/dbraw/zinc/39/10/93/171391093.db2.gz YMIGISYPWWXSAE-MBNYWOFBSA-N 1 0 276.380 2.393 10 0 CEAERO C[NH+](C)CCNCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000030824801 171624293 /nfs/dbraw/zinc/62/42/93/171624293.db2.gz ZNTILDFZSQODAV-UHFFFAOYSA-N 1 0 280.759 2.041 10 0 CEAERO COc1ccc([C@](C)(O)C[NH2+]C(C)(C)C)cc1OC ZINC000032115370 171708846 /nfs/dbraw/zinc/70/88/46/171708846.db2.gz PLEFGSBOZIHKGT-OAHLLOKOSA-N 1 0 267.369 2.299 10 0 CEAERO CC1(C)CC(N2C(=O)[C@@H]3C=CCC[C@@H]3C2=O)CC(C)(C)[NH2+]1 ZINC000033606878 171815228 /nfs/dbraw/zinc/81/52/28/171815228.db2.gz VVUWERMQUQLKSQ-OLZOCXBDSA-N 1 0 290.407 2.247 10 0 CEAERO CCNC(=O)[C@H](C)Oc1cccc([C@H](C)[NH2+]CC)c1 ZINC000034822249 171875244 /nfs/dbraw/zinc/87/52/44/171875244.db2.gz UXGQHSVRXAXKJY-RYUDHWBXSA-N 1 0 264.369 2.261 10 0 CEAERO CCC(=O)Nc1cccc(NC(=O)[C@H]2CCC[NH2+]2)c1C ZINC000035229907 172070534 /nfs/dbraw/zinc/07/05/34/172070534.db2.gz WBZOBKPKZSEZHA-CYBMUJFWSA-N 1 0 275.352 2.034 10 0 CEAERO [NH3+][C@@H](Cc1ncc[nH]1)c1ccc(Br)o1 ZINC000035382277 172164771 /nfs/dbraw/zinc/16/47/71/172164771.db2.gz NIEIEDJILUPLJD-LURJTMIESA-N 1 0 256.103 2.008 10 0 CEAERO CCCOc1ccc(C=O)c(OCC[NH+](C)C)c1 ZINC000035412744 172184785 /nfs/dbraw/zinc/18/47/85/172184785.db2.gz ACCOYSCOLUFCKS-UHFFFAOYSA-N 1 0 251.326 2.228 10 0 CEAERO C[C@@H]1CCCN(c2nc3sccn3c2C[NH3+])C1 ZINC000035429689 172198072 /nfs/dbraw/zinc/19/80/72/172198072.db2.gz FFIJMAADWINTNM-SECBINFHSA-N 1 0 250.371 2.091 10 0 CEAERO CC[C@@H](C)NC(=O)COc1ccc(C)cc1[C@H](C)[NH3+] ZINC000035629422 172309804 /nfs/dbraw/zinc/30/98/04/172309804.db2.gz XWZRRFNZWTYWNR-NEPJUHHUSA-N 1 0 264.369 2.308 10 0 CEAERO CCCCN(C)S(=O)(=O)c1ccc([C@@H](C)[NH2+]C)cc1 ZINC000035633288 172316374 /nfs/dbraw/zinc/31/63/74/172316374.db2.gz XIZXGEUWFQIZHL-GFCCVEGCSA-N 1 0 284.425 2.388 10 0 CEAERO CCN(C)C(=O)COc1c(Cl)cc(Cl)cc1C[NH3+] ZINC000035661864 172339241 /nfs/dbraw/zinc/33/92/41/172339241.db2.gz IKMORBXBQCRUNK-UHFFFAOYSA-N 1 0 291.178 2.309 10 0 CEAERO CCCN(CCC[NH3+])c1cc(C)nc(C(C)C)n1 ZINC000035663794 172342511 /nfs/dbraw/zinc/34/25/11/172342511.db2.gz GADVKRAYYJYGRR-UHFFFAOYSA-N 1 0 250.390 2.474 10 0 CEAERO [NH3+][C@H]1CC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C1 ZINC000035679612 172350386 /nfs/dbraw/zinc/35/03/86/172350386.db2.gz LKPDMIJKCIHXHP-ZETCQYMHSA-N 1 0 278.661 2.423 10 0 CEAERO Cc1nnc(COc2ccc(C)cc2[C@H](C)[NH3+])n1C ZINC000035696711 172364689 /nfs/dbraw/zinc/36/46/89/172364689.db2.gz WKXBBZMKOHCRDA-JTQLQIEISA-N 1 0 260.341 2.031 10 0 CEAERO Cn1nnnc1S[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C[NH3+] ZINC000035722759 172378060 /nfs/dbraw/zinc/37/80/60/172378060.db2.gz KSUPTWIFBKLCIR-GMTAPVOTSA-N 1 0 283.445 2.092 10 0 CEAERO Cn1cc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000035737447 172390774 /nfs/dbraw/zinc/39/07/74/172390774.db2.gz YNAHGAHVOKQACQ-AWEZNQCLSA-N 1 0 256.353 2.107 10 0 CEAERO CC(C)c1ccc2c(c1)[C@H]([NH3+])[C@@H](C)CS2(=O)=O ZINC000035755745 172396195 /nfs/dbraw/zinc/39/61/95/172396195.db2.gz UEOUHOVNFXMWJR-TVQRCGJNSA-N 1 0 253.367 2.233 10 0 CEAERO CC(C)[NH2+][C@H]1CCCS(=O)(=O)c2ccccc21 ZINC000035760538 172398594 /nfs/dbraw/zinc/39/85/94/172398594.db2.gz BBHSDXHXNVMCJZ-LBPRGKRZSA-N 1 0 253.367 2.293 10 0 CEAERO CCC[NH2+][C@@H]1C[C@H](C)S(=O)(=O)c2ccccc21 ZINC000035760600 172398882 /nfs/dbraw/zinc/39/88/82/172398882.db2.gz AWKIWZPLHYTMNA-CMPLNLGQSA-N 1 0 253.367 2.293 10 0 CEAERO CCC[NH2+][C@@H]1CCCS(=O)(=O)c2ccc(F)cc21 ZINC000035761340 172399091 /nfs/dbraw/zinc/39/90/91/172399091.db2.gz VESRIGQSVZHOQE-GFCCVEGCSA-N 1 0 271.357 2.434 10 0 CEAERO [NH3+]CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000037030839 172898330 /nfs/dbraw/zinc/89/83/30/172898330.db2.gz HVPSHAQJAVOUTN-AWEZNQCLSA-N 1 0 260.362 2.303 10 0 CEAERO Cc1c([C@@H](C)[NH2+]C2CCC3(CC2)OCCO3)cnn1C ZINC000037167717 173002601 /nfs/dbraw/zinc/00/26/01/173002601.db2.gz KWWUYXHQIBEPBQ-LLVKDONJSA-N 1 0 279.384 2.065 10 0 CEAERO CN([C@@H](C[NH3+])c1c(F)cccc1F)[C@@H]1CCSC1 ZINC000037174470 173008196 /nfs/dbraw/zinc/00/81/96/173008196.db2.gz VVIWRTIQBZQQHX-SKDRFNHKSA-N 1 0 272.364 2.402 10 0 CEAERO CCCc1cc(=O)[nH]c(S[C@@H](C[NH3+])C(F)(F)F)n1 ZINC000037178092 173011532 /nfs/dbraw/zinc/01/15/32/173011532.db2.gz USCBPDFNFIUDHL-ZETCQYMHSA-N 1 0 281.303 2.116 10 0 CEAERO NC(=O)C[NH2+][C@@H](Cc1cccs1)c1cccs1 ZINC000037184008 173016320 /nfs/dbraw/zinc/01/63/20/173016320.db2.gz QBVBLINQDXOZIR-JTQLQIEISA-N 1 0 266.391 2.168 10 0 CEAERO COc1nc2sccn2c1C[NH2+]C1CCCC1 ZINC000037186853 173017505 /nfs/dbraw/zinc/01/75/05/173017505.db2.gz YPNNVBSDPURVEK-UHFFFAOYSA-N 1 0 251.355 2.437 10 0 CEAERO Cc1ncsc1[C@@H](C)[NH2+][C@H]1CN2CCC1CC2 ZINC000037211768 173033707 /nfs/dbraw/zinc/03/37/07/173033707.db2.gz VNLVQOYPKORQQI-PWSUYJOCSA-N 1 0 251.399 2.196 10 0 CEAERO C[C@H](COc1ccc(Cl)cc1C[NH2+]C1CC1)C(N)=O ZINC000037226840 173047407 /nfs/dbraw/zinc/04/74/07/173047407.db2.gz UOLKJVHFHUNFMK-SECBINFHSA-N 1 0 282.771 2.092 10 0 CEAERO COc1nc2sccn2c1C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000037242479 173058357 /nfs/dbraw/zinc/05/83/57/173058357.db2.gz SJZABVOFENODPP-KOLCDFICSA-N 1 0 281.381 2.062 10 0 CEAERO COC(=O)CC[NH2+][C@H](C)c1ccc(OC)cc1F ZINC000037252148 173063642 /nfs/dbraw/zinc/06/36/42/173063642.db2.gz TVEGAEIXSCOBJF-SECBINFHSA-N 1 0 255.289 2.048 10 0 CEAERO COC(=O)CC[NH2+][C@@H]1CSCc2ccccc21 ZINC000037252324 173064742 /nfs/dbraw/zinc/06/47/42/173064742.db2.gz BOIJDRYUUSDOGV-GFCCVEGCSA-N 1 0 251.351 2.127 10 0 CEAERO C[C@@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccc(F)c(F)c1 ZINC000037277465 173088042 /nfs/dbraw/zinc/08/80/42/173088042.db2.gz YYJAGYOMBBXOOF-SECBINFHSA-N 1 0 283.322 2.159 10 0 CEAERO CCOc1ccccc1NC(=O)C[NH2+][C@@H](C)CC ZINC000037386350 173168632 /nfs/dbraw/zinc/16/86/32/173168632.db2.gz CNBWZWVPHDHNLG-NSHDSACASA-N 1 0 250.342 2.412 10 0 CEAERO O=C(C[NH2+]C1CCCC1)Nc1cccnc1Cl ZINC000037388749 173172404 /nfs/dbraw/zinc/17/24/04/173172404.db2.gz NNDNVEZPIZWNGK-UHFFFAOYSA-N 1 0 253.733 2.206 10 0 CEAERO COC(C[NH2+]Cc1cc(Br)cs1)OC ZINC000037389158 173172610 /nfs/dbraw/zinc/17/26/10/173172610.db2.gz WJWAAWJWJSWNRI-UHFFFAOYSA-N 1 0 280.187 2.219 10 0 CEAERO C[NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000037483481 173228649 /nfs/dbraw/zinc/22/86/49/173228649.db2.gz KVYGGTRIMWYJOE-SNVBAGLBSA-N 1 0 255.159 2.247 10 0 CEAERO C[C@H](C(=O)c1ccccc1)[N@@H+]1CCCC[C@@H]1CCO ZINC000037488565 173231116 /nfs/dbraw/zinc/23/11/16/173231116.db2.gz CQNWIDOSZCNMKW-UKRRQHHQSA-N 1 0 261.365 2.495 10 0 CEAERO COCCN(CCOC)[C@H](C[NH3+])c1ccc(SC)cc1 ZINC000037489469 173231330 /nfs/dbraw/zinc/23/13/30/173231330.db2.gz VUQHPERPIZQAMO-OAHLLOKOSA-N 1 0 298.452 2.003 10 0 CEAERO CS(=O)(=O)CC[NH2+]CCc1ccc(Cl)cc1Cl ZINC000037491296 173232372 /nfs/dbraw/zinc/23/23/72/173232372.db2.gz PGBCYFXBFOBGGH-UHFFFAOYSA-N 1 0 296.219 2.170 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)N(C)Cc1ccc(OC)cc1 ZINC000037495551 173235235 /nfs/dbraw/zinc/23/52/35/173235235.db2.gz AWICIBPHSHDCJP-GFCCVEGCSA-N 1 0 264.369 2.042 10 0 CEAERO C[C@@]([NH2+]C1CC1)(C(N)=O)c1ccccc1C(F)(F)F ZINC000037514618 173245878 /nfs/dbraw/zinc/24/58/78/173245878.db2.gz FAUSBEMYOHJVRL-LBPRGKRZSA-N 1 0 272.270 2.158 10 0 CEAERO C[C@]([NH2+]C1CC1)(C(N)=O)c1cccc2ccccc21 ZINC000037514627 173246032 /nfs/dbraw/zinc/24/60/32/173246032.db2.gz CQDXYEQYDYEHOK-MRXNPFEDSA-N 1 0 254.333 2.292 10 0 CEAERO CN(C(=O)C(C)(C)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000037540806 173262787 /nfs/dbraw/zinc/26/27/87/173262787.db2.gz XBCBRHTXMVMRPW-CQSZACIVSA-N 1 0 260.381 2.175 10 0 CEAERO CN(C(=O)Nc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC000037541712 173263736 /nfs/dbraw/zinc/26/37/36/173263736.db2.gz VLNXQUHJMIGRQH-LBPRGKRZSA-N 1 0 251.305 2.041 10 0 CEAERO CCCN(C(=O)c1ccoc1C)[C@@H]1CCC[NH2+]C1 ZINC000037541593 173263797 /nfs/dbraw/zinc/26/37/97/173263797.db2.gz NONFLKJYGFHKOL-GFCCVEGCSA-N 1 0 250.342 2.192 10 0 CEAERO COCc1ccccc1CNC(=O)c1ccc(C[NH3+])cc1 ZINC000037762880 173689909 /nfs/dbraw/zinc/68/99/09/173689909.db2.gz HBYCPNYDGLVHBH-UHFFFAOYSA-N 1 0 284.359 2.222 10 0 CEAERO [NH3+]C1(C(=O)N(Cc2ccco2)C2CC2)CCCCC1 ZINC000037806095 173747470 /nfs/dbraw/zinc/74/74/70/173747470.db2.gz WMQXLTGSXLKDIF-UHFFFAOYSA-N 1 0 262.353 2.432 10 0 CEAERO NC(=O)[C@@H]([NH2+]C1CCCC1)c1cc2c(c(Cl)c1)OCO2 ZINC000037969078 173916913 /nfs/dbraw/zinc/91/69/13/173916913.db2.gz WTXAYDQQQAJJPE-LBPRGKRZSA-N 1 0 296.754 2.127 10 0 CEAERO CCOc1cc(NC2CC[NH2+]CC2)ccc1OC ZINC000038041255 174042014 /nfs/dbraw/zinc/04/20/14/174042014.db2.gz JETYDCHVPQRFCZ-UHFFFAOYSA-N 1 0 250.342 2.258 10 0 CEAERO CCn1c2ccccc2nc1C[NH2+][C@H]1CN2CCC1CC2 ZINC000038046617 174055410 /nfs/dbraw/zinc/05/54/10/174055410.db2.gz RFQWVIWLLLPAKY-HNNXBMFYSA-N 1 0 284.407 2.240 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1c(F)cccc1Cl ZINC000038049576 174060378 /nfs/dbraw/zinc/06/03/78/174060378.db2.gz UTERPJCIMYXPID-GHMZBOCLSA-N 1 0 270.735 2.479 10 0 CEAERO CC[C@@H](C)[NH2+][C@@]1(C(N)=O)CCSc2ccccc21 ZINC000038065302 174075913 /nfs/dbraw/zinc/07/59/13/174075913.db2.gz XIKFQQQAZUDMCG-YGRLFVJLSA-N 1 0 264.394 2.251 10 0 CEAERO O=C(NCC[C@@H]1CCCC[NH2+]1)Nc1cccc(F)c1 ZINC000038076427 174087108 /nfs/dbraw/zinc/08/71/08/174087108.db2.gz WJVZVSNZCGQSQP-LBPRGKRZSA-N 1 0 265.332 2.479 10 0 CEAERO C[C@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(=O)Nc1cccc(F)c1 ZINC000038076580 174087174 /nfs/dbraw/zinc/08/71/74/174087174.db2.gz ALUKCLRUWQHDOM-CWSCBRNRSA-N 1 0 263.316 2.040 10 0 CEAERO CCC(CC)N1C(=O)C[C@H]([NH2+]CCCC(C)C)C1=O ZINC000038093762 174107670 /nfs/dbraw/zinc/10/76/70/174107670.db2.gz LIZLHXSMKOHOSN-ZDUSSCGKSA-N 1 0 268.401 2.328 10 0 CEAERO Cc1nc2sccn2c1C[NH2+]CC[C@@H]1CCCO1 ZINC000038096215 174110072 /nfs/dbraw/zinc/11/00/72/174110072.db2.gz WBZBIDVIKXFRSD-NSHDSACASA-N 1 0 265.382 2.363 10 0 CEAERO O[C@@H](C[NH2+]CC[C@H]1CCCO1)c1cc(F)ccc1F ZINC000038096794 174110982 /nfs/dbraw/zinc/11/09/82/174110982.db2.gz ZQWRQPWAHYXZLV-RISCZKNCSA-N 1 0 271.307 2.157 10 0 CEAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COCc2ccco2)o1 ZINC000038097799 174111938 /nfs/dbraw/zinc/11/19/38/174111938.db2.gz NZDRCWATSFKIKY-CHWSQXEVSA-N 1 0 279.336 2.409 10 0 CEAERO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COCc2ccco2)o1 ZINC000038097798 174112088 /nfs/dbraw/zinc/11/20/88/174112088.db2.gz NZDRCWATSFKIKY-STQMWFEESA-N 1 0 279.336 2.409 10 0 CEAERO OC[C@@H]([NH2+]C1CC1)c1ccc(Br)cc1 ZINC000038124273 174130966 /nfs/dbraw/zinc/13/09/66/174130966.db2.gz XUPPADLDSBNTMT-LLVKDONJSA-N 1 0 256.143 2.235 10 0 CEAERO CC(C)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000040176563 174201419 /nfs/dbraw/zinc/20/14/19/174201419.db2.gz OSEIZZFYTLJRFO-HPCHECBXSA-N 1 0 252.402 2.314 10 0 CEAERO CSCC[C@H]([NH3+])C(=O)N(CCC(C)C)C1CC1 ZINC000040467344 174275438 /nfs/dbraw/zinc/27/54/38/174275438.db2.gz MTQRTEMIAPGYJK-LBPRGKRZSA-N 1 0 258.431 2.104 10 0 CEAERO CC(C)N(CC(F)(F)F)C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000040467925 174276120 /nfs/dbraw/zinc/27/61/20/174276120.db2.gz AFUPSEWUJGVBEB-MRVPVSSYSA-N 1 0 254.296 2.159 10 0 CEAERO CC[C@@H](C)NC(=O)C[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000040491149 174292629 /nfs/dbraw/zinc/29/26/29/174292629.db2.gz AVFFMPPZIVWXLN-NEPJUHHUSA-N 1 0 294.395 2.269 10 0 CEAERO COC(=O)[C@H](C)C[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000040491090 174292636 /nfs/dbraw/zinc/29/26/36/174292636.db2.gz DMLJCVOWYICAMH-MNOVXSKESA-N 1 0 281.352 2.164 10 0 CEAERO c1cnn(-c2ccccc2C[NH2+]C[C@@H]2CCCO2)c1 ZINC000040495664 174294129 /nfs/dbraw/zinc/29/41/29/174294129.db2.gz BAUDJMDSYGXGHU-AWEZNQCLSA-N 1 0 257.337 2.141 10 0 CEAERO Cc1ccc(OC[C@@H](C)[NH2+][C@H](C)C(=O)NC(C)C)cc1 ZINC000040499828 174296631 /nfs/dbraw/zinc/29/66/31/174296631.db2.gz GXERUMXZLMXICS-ZIAGYGMSSA-N 1 0 278.396 2.265 10 0 CEAERO Cc1cccc(CC[C@@H](C)[NH2+]CCN2CCOCC2)c1 ZINC000040500465 174296982 /nfs/dbraw/zinc/29/69/82/174296982.db2.gz UFCQFDFXKUYSTD-MRXNPFEDSA-N 1 0 276.424 2.238 10 0 CEAERO CCN1CCC[C@H]([NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)C1 ZINC000040502907 174299298 /nfs/dbraw/zinc/29/92/98/174299298.db2.gz YMFZAUIGHBUCSW-WFASDCNBSA-N 1 0 290.411 2.312 10 0 CEAERO CCN1CCC[C@@H]([NH2+]Cc2cn(C)nc2C(C)C)C1 ZINC000040502972 174299558 /nfs/dbraw/zinc/29/95/58/174299558.db2.gz OPPCJQSTJQTCKR-CQSZACIVSA-N 1 0 264.417 2.117 10 0 CEAERO COc1cc(Br)c(OC)c(C[C@@H](C)[NH3+])c1 ZINC000040504247 174301135 /nfs/dbraw/zinc/30/11/35/174301135.db2.gz HCZXNFSMGJKVHO-SSDOTTSWSA-N 1 0 274.158 2.356 10 0 CEAERO Cc1nc(C)c([C@H](C)NC(=O)CCCCC[NH3+])s1 ZINC000040519045 174308524 /nfs/dbraw/zinc/30/85/24/174308524.db2.gz AGEWJBRXVMYTSY-JTQLQIEISA-N 1 0 269.414 2.456 10 0 CEAERO Cc1nc(C)c([C@@H](C)NC(=O)[C@H]([NH3+])CC(C)C)s1 ZINC000040519046 174308857 /nfs/dbraw/zinc/30/88/57/174308857.db2.gz NEGDLFVDFPDMOG-MWLCHTKSSA-N 1 0 269.414 2.311 10 0 CEAERO CC[NH+](CC)[C@@H](CNC(C)=O)c1ccc(OC)cc1 ZINC000040614841 174353839 /nfs/dbraw/zinc/35/38/39/174353839.db2.gz SUCSNYPSCDSIBV-HNNXBMFYSA-N 1 0 264.369 2.214 10 0 CEAERO Cc1cc2ncnn2c(NC[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000040623929 174355564 /nfs/dbraw/zinc/35/55/64/174355564.db2.gz OQTPNANGBXIWSY-CYBMUJFWSA-N 1 0 273.384 2.180 10 0 CEAERO CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1cc2c(s1)CCC2 ZINC000040627916 174357059 /nfs/dbraw/zinc/35/70/59/174357059.db2.gz XXXMXXYDBDJRCH-RNCFNFMXSA-N 1 0 266.410 2.226 10 0 CEAERO CO[C@H]1C[NH2+][C@H](C(=O)Nc2ccc(C(C)(C)C)cc2)C1 ZINC000040629941 174357592 /nfs/dbraw/zinc/35/75/92/174357592.db2.gz JCLMZGGIDIIKRE-KGLIPLIRSA-N 1 0 276.380 2.300 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](c2nc(-c3ccc(C)cc3)c[nH]2)C1 ZINC000040637726 174361608 /nfs/dbraw/zinc/36/16/08/174361608.db2.gz MSJNPQVFESXZNU-CHWSQXEVSA-N 1 0 257.337 2.435 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](c2nc(-c3ccccc3F)c[nH]2)C1 ZINC000040637839 174361863 /nfs/dbraw/zinc/36/18/63/174361863.db2.gz ZQBUPBPVLQZIIB-BXKDBHETSA-N 1 0 261.300 2.265 10 0 CEAERO COc1ccccc1-c1c[nH]c([C@H]2C[C@@H](OC)C[NH2+]2)n1 ZINC000040637918 174362396 /nfs/dbraw/zinc/36/23/96/174362396.db2.gz RXDTYRTXYBFVET-ZYHUDNBSSA-N 1 0 273.336 2.135 10 0 CEAERO Cc1nc([C@@H](C)[NH2+]CCc2nccn2C)c(C)s1 ZINC000040638972 174363106 /nfs/dbraw/zinc/36/31/06/174363106.db2.gz JXMYJWPVXRGRNH-SECBINFHSA-N 1 0 264.398 2.387 10 0 CEAERO C[C@H]([NH2+]C[C@@]1(N(C)C)CCC[C@@H](C)C1)C(=O)N1CCCC1 ZINC000040669897 174368567 /nfs/dbraw/zinc/36/85/67/174368567.db2.gz JFWXKHSGLXZQRI-HLLBOEOZSA-N 1 0 295.471 2.097 10 0 CEAERO CC(C)=CCN1CCC([NH2+][C@H]2CCCN(C)C2)CC1 ZINC000040673052 174371395 /nfs/dbraw/zinc/37/13/95/174371395.db2.gz ZQPYCGFVYZTOSE-INIZCTEOSA-N 1 0 265.445 2.101 10 0 CEAERO CCN(c1ccccc1)c1nc[nH+]c(NN(C)C)c1N ZINC000040679584 174374611 /nfs/dbraw/zinc/37/46/11/174374611.db2.gz WVZJBIFONNKMEQ-UHFFFAOYSA-N 1 0 272.356 2.105 10 0 CEAERO CCOC1CCN([C@@H](C[NH3+])c2ccccc2F)CC1 ZINC000040678719 174374882 /nfs/dbraw/zinc/37/48/82/174374882.db2.gz WAMDHQUZJROPKG-HNNXBMFYSA-N 1 0 266.360 2.326 10 0 CEAERO CCOC1CCN(C[C@@H]([NH3+])c2ccccc2C)CC1 ZINC000040689257 174375968 /nfs/dbraw/zinc/37/59/68/174375968.db2.gz NKFFZFJXBWYFQY-MRXNPFEDSA-N 1 0 262.397 2.496 10 0 CEAERO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[N@H+](C)C2)c2ccccc2N1 ZINC000040716167 174383711 /nfs/dbraw/zinc/38/37/11/174383711.db2.gz QDFBSUZOWGKCKO-GZBFAFLISA-N 1 0 287.407 2.185 10 0 CEAERO COc1cc([C@H](C[NH3+])N2CC[C@@H](C)C2)cc(OC)c1OC ZINC000040717630 174384844 /nfs/dbraw/zinc/38/48/44/174384844.db2.gz MUIBOLVDTLXCEJ-YPMHNXCESA-N 1 0 294.395 2.054 10 0 CEAERO Cc1nn(-c2ccccc2)c(N2CC[C@H](C)C2)c1C[NH3+] ZINC000040723760 174385805 /nfs/dbraw/zinc/38/58/05/174385805.db2.gz GGMZTOQXZVENEW-LBPRGKRZSA-N 1 0 270.380 2.486 10 0 CEAERO CCc1c(C)nn(C[C@H]([NH3+])c2ccc3c(c2)OCO3)c1C ZINC000040732277 174388659 /nfs/dbraw/zinc/38/86/59/174388659.db2.gz YVLCDVXSMQICDC-AWEZNQCLSA-N 1 0 287.363 2.491 10 0 CEAERO CN(Cc1noc(-c2ccco2)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746975 174392050 /nfs/dbraw/zinc/39/20/50/174392050.db2.gz ALVMMIFPRUKIEQ-FOSCPWQOSA-N 1 0 288.351 2.044 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(F)c1 ZINC000040749800 174394521 /nfs/dbraw/zinc/39/45/21/174394521.db2.gz YVJCWFGNBYBIAI-VGPLMAKISA-N 1 0 263.316 2.312 10 0 CEAERO Cc1cccc(NC(=O)CN2[C@@H]3CC[C@H]2CC([NH3+])C3)c1C ZINC000040750088 174395269 /nfs/dbraw/zinc/39/52/69/174395269.db2.gz IEEDGCLEBIFJLD-GOOCMWNKSA-N 1 0 287.407 2.196 10 0 CEAERO CCCCOc1ccc(Nc2nc[nH+]c(NN)c2N)cc1 ZINC000040754826 174396283 /nfs/dbraw/zinc/39/62/83/174396283.db2.gz LLTUYKKXALRWIG-UHFFFAOYSA-N 1 0 288.355 2.267 10 0 CEAERO CC(C)C[C@@H](CO)[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000040775208 174402614 /nfs/dbraw/zinc/40/26/14/174402614.db2.gz BRXARZBVKDQSMC-IRXDYDNUSA-N 1 0 276.424 2.258 10 0 CEAERO C[NH2+]CCCC(=O)Nc1ccc(N2CCCC2=O)c(C)c1 ZINC000040834560 174417069 /nfs/dbraw/zinc/41/70/69/174417069.db2.gz UEADNYCITZGIIV-UHFFFAOYSA-N 1 0 289.379 2.060 10 0 CEAERO C[C@@H]1CCN(C(=O)[C@@H]2CC[NH2+]C2)[C@H]2CCCC[C@H]12 ZINC000062114919 414760389 /nfs/dbraw/zinc/76/03/89/414760389.db2.gz AAAYRJYPLUCUGA-SYQHCUMBSA-N 1 0 250.386 2.023 10 0 CEAERO CC1CCC(CNC(=O)C2CCC([NH3+])CC2)CC1 ZINC000063146342 414762048 /nfs/dbraw/zinc/76/20/48/414762048.db2.gz LXUOKNQNNPTNNI-UHFFFAOYSA-N 1 0 252.402 2.446 10 0 CEAERO C[C@@H](NC(=O)c1ccccc1CC[NH3+])C1CCCC1 ZINC000070542473 414770504 /nfs/dbraw/zinc/77/05/04/414770504.db2.gz IJNLEYGLBLSFQE-GFCCVEGCSA-N 1 0 260.381 2.496 10 0 CEAERO Cc1ccc(N(CCC[NH3+])c2cccc(F)c2)nn1 ZINC000041074716 174472240 /nfs/dbraw/zinc/47/22/40/174472240.db2.gz PAEVAPWLLAJAQO-UHFFFAOYSA-N 1 0 260.316 2.411 10 0 CEAERO Cc1cc(C(C)C)nc(N2CCC(CC[NH3+])CC2)n1 ZINC000122573940 414789325 /nfs/dbraw/zinc/78/93/25/414789325.db2.gz QTFPSQMGZGKNSC-UHFFFAOYSA-N 1 0 262.401 2.474 10 0 CEAERO Cc1cccc(OCCc2nc([C@@H]3CCC[NH2+]3)no2)c1 ZINC000071396706 414773487 /nfs/dbraw/zinc/77/34/87/414773487.db2.gz JYMHYZSUQKGBMY-ZDUSSCGKSA-N 1 0 273.336 2.424 10 0 CEAERO Cc1cc(C(C)C)nc(N2CCC[C@@H](C)[C@@H]2C[NH3+])n1 ZINC000122573208 414788049 /nfs/dbraw/zinc/78/80/49/414788049.db2.gz CKWUZULQRNTOGI-RISCZKNCSA-N 1 0 262.401 2.472 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCc2ccccc2[C@H](C)C1 ZINC000404777976 414791528 /nfs/dbraw/zinc/79/15/28/414791528.db2.gz BCFQKOJXVVUVJC-XJKCOSOUSA-N 1 0 272.392 2.030 10 0 CEAERO CC(NC(=O)[C@@H]1CCC[C@H]1C[NH3+])(C1CC1)C1CC1 ZINC000662914496 414800243 /nfs/dbraw/zinc/80/02/43/414800243.db2.gz AWJRYGMMUUWJTH-GXFFZTMASA-N 1 0 250.386 2.056 10 0 CEAERO CN(C(=O)CCCc1cccs1)[C@@H](C[NH3+])C(F)(F)F ZINC000662976735 414817060 /nfs/dbraw/zinc/81/70/60/414817060.db2.gz PYHJUECSAFDSRO-JTQLQIEISA-N 1 0 294.342 2.419 10 0 CEAERO CN(C(=O)CCc1ccc(F)cc1)[C@H](C[NH3+])C(F)(F)F ZINC000662976620 414817114 /nfs/dbraw/zinc/81/71/14/414817114.db2.gz GZJVXVVISOCPAW-LLVKDONJSA-N 1 0 292.276 2.106 10 0 CEAERO Cc1c(F)cccc1C(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662987777 414818383 /nfs/dbraw/zinc/81/83/83/414818383.db2.gz YWFYCPJRWFVACA-SNVBAGLBSA-N 1 0 278.249 2.096 10 0 CEAERO CCc1ccccc1C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662983983 414818393 /nfs/dbraw/zinc/81/83/93/414818393.db2.gz HHWIFARNEMNVCB-NSHDSACASA-N 1 0 274.286 2.211 10 0 CEAERO Cc1[nH]c2ccc(C(=O)NC[C@@H]3CC[NH2+]C3)cc2c1C ZINC000131858304 414818892 /nfs/dbraw/zinc/81/88/92/414818892.db2.gz ZYRGWYLAXNXAEZ-GFCCVEGCSA-N 1 0 271.364 2.124 10 0 CEAERO C[C@@H]([NH3+])c1cccc(NC(=O)Nc2ccn(C)n2)c1 ZINC000041717047 174615976 /nfs/dbraw/zinc/61/59/76/174615976.db2.gz FHUXUJIWVWCCKD-SECBINFHSA-N 1 0 259.313 2.084 10 0 CEAERO COc1cccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1F ZINC000311694697 414860417 /nfs/dbraw/zinc/86/04/17/414860417.db2.gz SUJBSSFBPCMDIZ-WCFLWFBJSA-N 1 0 264.344 2.003 10 0 CEAERO Cc1oc(C)c(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1C ZINC000311907793 414863461 /nfs/dbraw/zinc/86/34/61/414863461.db2.gz DQLCAOCJTYIVNL-YNEHKIRRSA-N 1 0 262.353 2.014 10 0 CEAERO CC[C@@H]1C[C@H](C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2CC)CCO1 ZINC000248527194 287293469 /nfs/dbraw/zinc/29/34/69/287293469.db2.gz DAWNZJBZQSSIOB-QKPAOTATSA-N 1 0 294.439 2.277 10 0 CEAERO COc1ccc(-c2noc(C3CCC([NH3+])CC3)n2)cn1 ZINC000312658660 414864384 /nfs/dbraw/zinc/86/43/84/414864384.db2.gz ZRDDDTJHEHEFJO-UHFFFAOYSA-N 1 0 274.324 2.125 10 0 CEAERO C[C@@H](NC(=O)C[C@H]1CCC[NH2+]1)c1ccc(F)c(F)c1 ZINC000042166614 174648409 /nfs/dbraw/zinc/64/84/09/174648409.db2.gz DBBPXQGFFNHAEE-MWLCHTKSSA-N 1 0 268.307 2.284 10 0 CEAERO CCOCCOC[C@H](O)C[NH2+][C@@H](C)CCCC(C)C ZINC000042257655 174668176 /nfs/dbraw/zinc/66/81/76/174668176.db2.gz FQJRUXGSGDEHLP-LSDHHAIUSA-N 1 0 275.433 2.205 10 0 CEAERO C[NH2+][C@@H](C)c1cccc(NC(=O)NCc2cn[nH]c2)c1 ZINC000042358319 174695548 /nfs/dbraw/zinc/69/55/48/174695548.db2.gz AOTQWQVSOFWDNZ-JTQLQIEISA-N 1 0 273.340 2.012 10 0 CEAERO CC[C@H]1CCCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653073084 414896459 /nfs/dbraw/zinc/89/64/59/414896459.db2.gz QGESVNOITJRNTI-HBNTYKKESA-N 1 0 278.318 2.033 10 0 CEAERO Cc1ncc(C[NH2+][C@H](C)COCc2ccccc2)n1C ZINC000657378875 414900570 /nfs/dbraw/zinc/90/05/70/414900570.db2.gz NKDVZDPDBLQHTK-CYBMUJFWSA-N 1 0 273.380 2.423 10 0 CEAERO Cc1ccc(C[NH2+]C[C@@H]2CC(=O)N(C)C2)cc1Cl ZINC000657695864 415051047 /nfs/dbraw/zinc/05/10/47/415051047.db2.gz PPHCKODIEJSKIR-LBPRGKRZSA-N 1 0 266.772 2.216 10 0 CEAERO CC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC(=O)N(C)C2)CC1 ZINC000657697224 415052348 /nfs/dbraw/zinc/05/23/48/415052348.db2.gz RCYVKTCVHROSAQ-MGPQQGTHSA-N 1 0 252.402 2.413 10 0 CEAERO CCS(=O)(=O)C1(C[NH2+]CC2CCC(C)CC2)CC1 ZINC000657758631 415070385 /nfs/dbraw/zinc/07/03/85/415070385.db2.gz GWQDMKLKFYODTJ-UHFFFAOYSA-N 1 0 273.442 2.370 10 0 CEAERO Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C[C@@H]1CCCCO1 ZINC000042820366 174887069 /nfs/dbraw/zinc/88/70/69/174887069.db2.gz HOSASYVQSFOCQJ-HOTGVXAUSA-N 1 0 293.407 2.202 10 0 CEAERO C[C@H]([NH3+])[C@@H](Sc1nc[nH]n1)c1ccc(F)cc1 ZINC000042942974 174918999 /nfs/dbraw/zinc/91/89/99/174918999.db2.gz SDZZIEGZWNSUPJ-OIBJUYFYSA-N 1 0 252.318 2.124 10 0 CEAERO [NH3+]C[C@H](c1cccc(Br)c1)n1cccn1 ZINC000043022002 174945461 /nfs/dbraw/zinc/94/54/61/174945461.db2.gz RXSUIUHZQSOBJR-LLVKDONJSA-N 1 0 266.142 2.194 10 0 CEAERO COC1CCN([C@@H](c2ccccc2F)[C@@H](C)[NH3+])CC1 ZINC000043043226 174954667 /nfs/dbraw/zinc/95/46/67/174954667.db2.gz GGBPCKHCQPRHRU-IAQYHMDHSA-N 1 0 266.360 2.325 10 0 CEAERO COC(=O)CCS[C@H](c1ccccc1OC)[C@@H](C)[NH3+] ZINC000043101679 174968217 /nfs/dbraw/zinc/96/82/17/174968217.db2.gz BZWQODPCWCQQPU-YGRLFVJLSA-N 1 0 283.393 2.380 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1cccs1)n1nnc(-c2ccccc2)n1 ZINC000043107195 174973092 /nfs/dbraw/zinc/97/30/92/174973092.db2.gz GHEXVQYMLHBFQR-ZWNOBZJWSA-N 1 0 285.376 2.338 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cnn(C)c1)N(C)Cc1ccoc1C ZINC000043128844 174979517 /nfs/dbraw/zinc/97/95/17/174979517.db2.gz PDLNTBVWPBOTAA-CABCVRRESA-N 1 0 276.384 2.232 10 0 CEAERO Cc1ccsc1[C@H](Sc1nc(N)cc(N)n1)[C@H](C)[NH3+] ZINC000043251593 174994009 /nfs/dbraw/zinc/99/40/09/174994009.db2.gz ZBPLSRITFBWJEV-WRWORJQWSA-N 1 0 295.437 2.192 10 0 CEAERO [NH3+][C@H](c1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043299968 175001178 /nfs/dbraw/zinc/00/11/78/175001178.db2.gz FQWZNXBRVLMDCT-GXSJLCMTSA-N 1 0 293.310 2.140 10 0 CEAERO CC[NH2+][C@H](c1cc(C)ccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000043301107 175001998 /nfs/dbraw/zinc/00/19/98/175001998.db2.gz BVBMGSQEISGMDC-HIFRSBDPSA-N 1 0 281.421 2.389 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccco1)N(C)C[C@@H]1CCCCO1 ZINC000043335730 175011174 /nfs/dbraw/zinc/01/11/74/175011174.db2.gz HCPOCRDUWJQCCI-MBNYWOFBSA-N 1 0 252.358 2.169 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccccn1)N(C)Cc1ccncc1 ZINC000043339259 175013160 /nfs/dbraw/zinc/01/31/60/175013160.db2.gz CGEHBMJLVATTIP-HOCLYGCPSA-N 1 0 270.380 2.387 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccccn1)N(CCO)C1CCCC1 ZINC000043340870 175014612 /nfs/dbraw/zinc/01/46/12/175014612.db2.gz MQLJJXPKMPVGQQ-ZBFHGGJFSA-N 1 0 277.412 2.097 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Oc1ccccc1C(N)=O)c1ccccn1 ZINC000043342968 175016025 /nfs/dbraw/zinc/01/60/25/175016025.db2.gz UGFBHQJQKPLIOW-IUODEOHRSA-N 1 0 285.347 2.038 10 0 CEAERO CC[C@H]([NH3+])[C@H](OC1CCOCC1)c1ccccn1 ZINC000043344033 175016369 /nfs/dbraw/zinc/01/63/69/175016369.db2.gz WHWHOTQFLAHBDF-JSGCOSHPSA-N 1 0 250.342 2.056 10 0 CEAERO CC[C@H]([NH3+])[C@H](Oc1ccc(CO)cc1)c1ccccn1 ZINC000043343995 175016378 /nfs/dbraw/zinc/01/63/78/175016378.db2.gz BZRRSZBGQWGLIC-HOCLYGCPSA-N 1 0 272.348 2.431 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1ncccn1)c1ccccn1 ZINC000043344705 175016414 /nfs/dbraw/zinc/01/64/14/175016414.db2.gz GXDGTPJHSGZUPW-PWSUYJOCSA-N 1 0 260.366 2.442 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cccnc1)N(C)CCc1ccccn1 ZINC000043345947 175016672 /nfs/dbraw/zinc/01/66/72/175016672.db2.gz UHJZGJDDPJYASA-SJORKVTESA-N 1 0 284.407 2.430 10 0 CEAERO Cc1cnc(S[C@H](c2ccccn2)[C@H](C)[NH3+])nc1 ZINC000043345341 175016750 /nfs/dbraw/zinc/01/67/50/175016750.db2.gz UJNRCPNWWSXMTR-JQWIXIFHSA-N 1 0 260.366 2.361 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1n[nH]c(C)n1)c1ccccn1 ZINC000043345325 175016829 /nfs/dbraw/zinc/01/68/29/175016829.db2.gz PKWZBDWMGZPNGD-KOLCDFICSA-N 1 0 263.370 2.079 10 0 CEAERO Cc1nnc(S[C@H](c2ccccn2)[C@@H](C)[NH3+])s1 ZINC000043345128 175016975 /nfs/dbraw/zinc/01/69/75/175016975.db2.gz LTUBUAAXVSJBGM-XCBNKYQSSA-N 1 0 266.395 2.422 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1cccnc1)n1cnc2ccccc21 ZINC000043348774 175018633 /nfs/dbraw/zinc/01/86/33/175018633.db2.gz BTFYZKSLWVDHGY-ABAIWWIYSA-N 1 0 252.321 2.368 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cccnc1)N(CCO)C1CCCC1 ZINC000043348339 175018680 /nfs/dbraw/zinc/01/86/80/175018680.db2.gz HKKKPXUWANWDFT-CVEARBPZSA-N 1 0 277.412 2.097 10 0 CEAERO CC[C@H]([NH3+])[C@H](OC1CCOCC1)c1cccnc1 ZINC000043351472 175019567 /nfs/dbraw/zinc/01/95/67/175019567.db2.gz GXLMUNUUWXLHTN-UONOGXRCSA-N 1 0 250.342 2.056 10 0 CEAERO CN(C)c1cccc(O[C@@H](C[NH3+])c2cccnc2)c1 ZINC000043351440 175019958 /nfs/dbraw/zinc/01/99/58/175019958.db2.gz IGEQOLBNZDLBAT-HNNXBMFYSA-N 1 0 257.337 2.226 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccncc1)N1CCCC[C@@H]1CCO ZINC000043353068 175020296 /nfs/dbraw/zinc/02/02/96/175020296.db2.gz OPGVBXBOUOTWIU-OWCLPIDISA-N 1 0 277.412 2.097 10 0 CEAERO CC[C@H]([NH3+])[C@@H](OCCOC(C)C)c1ccncc1 ZINC000043355685 175023253 /nfs/dbraw/zinc/02/32/53/175023253.db2.gz CJDGIQAMFNMIJJ-KBPBESRZSA-N 1 0 252.358 2.302 10 0 CEAERO COc1ccc(CO[C@H](C[NH3+])c2ccncc2)cc1 ZINC000043355848 175023359 /nfs/dbraw/zinc/02/33/59/175023359.db2.gz ISGQDJNGQUAWPT-OAHLLOKOSA-N 1 0 258.321 2.307 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](OC1CCOCC1)c1ccncc1 ZINC000043356329 175023416 /nfs/dbraw/zinc/02/34/16/175023416.db2.gz YEUZVVVZBCTYBE-KGLIPLIRSA-N 1 0 250.342 2.056 10 0 CEAERO CN(C)c1cccc(O[C@H](C[NH3+])c2ccncc2)c1 ZINC000043356311 175023483 /nfs/dbraw/zinc/02/34/83/175023483.db2.gz HJKXBSLHTAAAGT-OAHLLOKOSA-N 1 0 257.337 2.226 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1n[nH]c(C)n1)c1ccncc1 ZINC000043363600 175024033 /nfs/dbraw/zinc/02/40/33/175024033.db2.gz YICUCBPKGJRWEJ-QWRGUYRKSA-N 1 0 263.370 2.079 10 0 CEAERO Cc1cc(=O)[nH]c(S[C@H](c2ccncc2)[C@H](C)[NH3+])n1 ZINC000043363225 175024065 /nfs/dbraw/zinc/02/40/65/175024065.db2.gz FIFJJENGPVRRGX-CABZTGNLSA-N 1 0 276.365 2.066 10 0 CEAERO Cc1ccc([C@H]([C@H](C)[NH3+])N(C)C[C@@H]2CCCO2)o1 ZINC000043364763 175025945 /nfs/dbraw/zinc/02/59/45/175025945.db2.gz WMSJEPCJJMSSMT-OBJOEFQTSA-N 1 0 252.358 2.087 10 0 CEAERO C[C@H]([NH3+])[C@@H](N1CCc2ccccc2C1)C(F)(F)F ZINC000043376537 175030212 /nfs/dbraw/zinc/03/02/12/175030212.db2.gz DCOBVHRPJKEZIS-JOYOIKCWSA-N 1 0 258.287 2.323 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](N(C)Cc1cc(C)on1)C(F)(F)F ZINC000043377733 175030445 /nfs/dbraw/zinc/03/04/45/175030445.db2.gz YACHATQNNYWTSK-NXEZZACHSA-N 1 0 265.279 2.083 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](OC[C@@H]1CCCCO1)C(F)(F)F ZINC000043384320 175031627 /nfs/dbraw/zinc/03/16/27/175031627.db2.gz CIKXFDDMUSPYDR-IVZWLZJFSA-N 1 0 255.280 2.240 10 0 CEAERO Fc1cc(-c2noc(C[C@@H]3CCC[NH2+]3)n2)cc(F)c1F ZINC000043391665 175034032 /nfs/dbraw/zinc/03/40/32/175034032.db2.gz HTTVDGWRPRWHHL-QMMMGPOBSA-N 1 0 283.253 2.448 10 0 CEAERO Fc1cc(-c2noc(C[C@H]3CCC[NH2+]3)n2)cc(F)c1F ZINC000043391667 175034530 /nfs/dbraw/zinc/03/45/30/175034530.db2.gz HTTVDGWRPRWHHL-MRVPVSSYSA-N 1 0 283.253 2.448 10 0 CEAERO COCCCN(CCOC)[C@H](C[NH3+])c1cc(C)cc(C)c1 ZINC000043394462 175035215 /nfs/dbraw/zinc/03/52/15/175035215.db2.gz LCFQSGCETPAJEZ-QGZVFWFLSA-N 1 0 294.439 2.288 10 0 CEAERO CCc1c(C)nn(-c2nc3c(cc2C(N)=[NH2+])CCC3)c1C ZINC000043406863 175037174 /nfs/dbraw/zinc/03/71/74/175037174.db2.gz YTCOVTBTGVNNLU-UHFFFAOYSA-N 1 0 283.379 2.219 10 0 CEAERO Brc1cnc2[nH]c(C3CC[NH2+]CC3)nc2c1 ZINC000043460862 175051700 /nfs/dbraw/zinc/05/17/00/175051700.db2.gz VSNOXXSDIXFYNP-UHFFFAOYSA-N 1 0 281.157 2.187 10 0 CEAERO CN(CCC(N)=[NH2+])Cc1sccc1Br ZINC000043675694 175088227 /nfs/dbraw/zinc/08/82/27/175088227.db2.gz CDCSPNMOVQQWTL-UHFFFAOYSA-N 1 0 276.203 2.268 10 0 CEAERO CCc1ccc([C@H]([NH2+]C)[C@H](C)N2CCOCC2)cc1 ZINC000043808180 175108996 /nfs/dbraw/zinc/10/89/96/175108996.db2.gz RAESDDFYRIBULN-XJKSGUPXSA-N 1 0 262.397 2.230 10 0 CEAERO CCCCN(C)[C@H]1CC2(CC[C@@H]1[NH2+]CCC)OCCO2 ZINC000043817143 175112580 /nfs/dbraw/zinc/11/25/80/175112580.db2.gz RKOJYNNOUPAUPX-GJZGRUSLSA-N 1 0 284.444 2.382 10 0 CEAERO C[NH2+][C@@H]1CCC2(C[C@H]1N(C)Cc1ccccc1)OCCO2 ZINC000043816424 175112621 /nfs/dbraw/zinc/11/26/21/175112621.db2.gz WKRXURFZOBKRRX-HZPDHXFCSA-N 1 0 290.407 2.002 10 0 CEAERO CCC[NH2+][C@H]1CCC2(C[C@H]1N(CC)C1CC1)OCCO2 ZINC000043822298 175114503 /nfs/dbraw/zinc/11/45/03/175114503.db2.gz SQKCRYPZMCHTBK-LSDHHAIUSA-N 1 0 282.428 2.135 10 0 CEAERO CCCN(CC)C[C@H]([NH2+]C)c1ccc2c(c1)OCO2 ZINC000043884357 175116690 /nfs/dbraw/zinc/11/66/90/175116690.db2.gz KGYUKSQKMBIMJU-ZDUSSCGKSA-N 1 0 264.369 2.408 10 0 CEAERO CCC[NH2+][C@H]1CCC2(C[C@@H]1N(CC)CCC)OCCO2 ZINC000043884810 175117207 /nfs/dbraw/zinc/11/72/07/175117207.db2.gz BOQNLWISDCUAJQ-GJZGRUSLSA-N 1 0 284.444 2.382 10 0 CEAERO C[NH2+][C@H](CN1CCC(OC)CC1)c1ccccc1OC ZINC000043889926 175117597 /nfs/dbraw/zinc/11/75/97/175117597.db2.gz PLYIPCAXFMJNDP-OAHLLOKOSA-N 1 0 278.396 2.067 10 0 CEAERO CC[NH2+][C@H](c1ccc(OC)cc1)[C@H](C)N1CCOC[C@@H]1C ZINC000043891534 175118055 /nfs/dbraw/zinc/11/80/55/175118055.db2.gz WVHVANRADGSZPN-ZQIUZPCESA-N 1 0 292.423 2.455 10 0 CEAERO C[NH2+][C@H](c1ccc(C)cc1)[C@H](C)N1CCOC[C@@H]1C ZINC000043891150 175118119 /nfs/dbraw/zinc/11/81/19/175118119.db2.gz RFNMJMBKVKXRHE-DZKIICNBSA-N 1 0 262.397 2.365 10 0 CEAERO CCC[NH2+][C@@H]1CCCC[C@H]1N1CCC(OC)CC1 ZINC000043890420 175118159 /nfs/dbraw/zinc/11/81/59/175118159.db2.gz WHGKCFNODOERSW-HUUCEWRRSA-N 1 0 254.418 2.408 10 0 CEAERO C[NH2+][C@H]1c2ccccc2OC[C@@H]1N(C)Cc1ccccn1 ZINC000043894371 175119235 /nfs/dbraw/zinc/11/92/35/175119235.db2.gz VCHIHWQGJOYRPL-RDJZCZTQSA-N 1 0 283.375 2.235 10 0 CEAERO CCC[C@@H](C)N(C)[C@@H]1CC2(CC[C@@H]1[NH2+]CC)OCCO2 ZINC000043896496 175119366 /nfs/dbraw/zinc/11/93/66/175119366.db2.gz ONIFDNURAKKNEY-QLFBSQMISA-N 1 0 284.444 2.381 10 0 CEAERO C[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)N(CCOC)CCOC ZINC000043912546 175123808 /nfs/dbraw/zinc/12/38/08/175123808.db2.gz KWOFENKGVJNCRT-DOTOQJQBSA-N 1 0 294.439 2.239 10 0 CEAERO CCCOc1ccc([C@H](CN(C)CCOC)[NH2+]C)cc1 ZINC000043915477 175125273 /nfs/dbraw/zinc/12/52/73/175125273.db2.gz PTWGKCBKQMNBNQ-INIZCTEOSA-N 1 0 280.412 2.314 10 0 CEAERO CC[NH2+][C@@H](CN1CCOCC1(C)C)c1ccccc1 ZINC000043916918 175125513 /nfs/dbraw/zinc/12/55/13/175125513.db2.gz ATKVFKSTFLIRRW-HNNXBMFYSA-N 1 0 262.397 2.448 10 0 CEAERO CCC[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1(C)C ZINC000043965396 175126634 /nfs/dbraw/zinc/12/66/34/175126634.db2.gz QFVRYVADKMVUQU-KGLIPLIRSA-N 1 0 254.418 2.408 10 0 CEAERO CCC[NH2+][C@@H]1CCOC[C@@H]1N(CCC)CC1CC1 ZINC000043967499 175128601 /nfs/dbraw/zinc/12/86/01/175128601.db2.gz MAMUOBUECJCCQP-CABCVRRESA-N 1 0 254.418 2.266 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2C[C@H]1N(CC)CCOC ZINC000043968646 175129514 /nfs/dbraw/zinc/12/95/14/175129514.db2.gz SKQXPSFOHZHXED-CVEARBPZSA-N 1 0 262.397 2.230 10 0 CEAERO C[NH2+][C@H](c1ccccc1)[C@@H](C)N(CCOC)C1CC1 ZINC000043969611 175130523 /nfs/dbraw/zinc/13/05/23/175130523.db2.gz SKGFLPCKFQMCRY-CJNGLKHVSA-N 1 0 262.397 2.446 10 0 CEAERO C[NH2+][C@@H](CN(CCCOC)CCOC)c1ccc(C)cc1 ZINC000043970837 175131702 /nfs/dbraw/zinc/13/17/02/175131702.db2.gz AWWBMJJWFQVGIX-KRWDZBQOSA-N 1 0 294.439 2.240 10 0 CEAERO CCc1ccc([C@@H](O)C[N@H+](C)C2CCN(C)CC2)cc1 ZINC000044121216 175142852 /nfs/dbraw/zinc/14/28/52/175142852.db2.gz FFCXBFPOALJKSZ-KRWDZBQOSA-N 1 0 276.424 2.308 10 0 CEAERO Cc1cccc(OCC[NH2+][C@@H]2CN3CCC2CC3)c1 ZINC000044296038 175160700 /nfs/dbraw/zinc/16/07/00/175160700.db2.gz KGZMFGWJOWKJAQ-MRXNPFEDSA-N 1 0 260.381 2.058 10 0 CEAERO CCn1cc([C@@H](C)[NH2+][C@@H]2CCCN(CC)C2)cn1 ZINC000044500062 175185112 /nfs/dbraw/zinc/18/51/12/175185112.db2.gz RKUXVVUJFIZESQ-TZMCWYRMSA-N 1 0 250.390 2.038 10 0 CEAERO Brc1ccc(NC[C@@H]2CCC[NH2+]C2)nc1 ZINC000044503041 175186244 /nfs/dbraw/zinc/18/62/44/175186244.db2.gz LQVYQAKPMYHAGF-SECBINFHSA-N 1 0 270.174 2.256 10 0 CEAERO CC(C)(C)N1CC[C@@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)C1 ZINC000658089913 415202975 /nfs/dbraw/zinc/20/29/75/415202975.db2.gz CBWSLZIUAOIXGW-SYQHCUMBSA-N 1 0 266.429 2.262 10 0 CEAERO CCCCNC(=O)COc1ccc2c(c1)CCC[C@@H]2[NH3+] ZINC000044732612 175241157 /nfs/dbraw/zinc/24/11/57/175241157.db2.gz GOQAZJJHUJSEIM-HNNXBMFYSA-N 1 0 276.380 2.318 10 0 CEAERO CCC[NH2+][C@@H]1CCCc2cc(OCC(=O)NC)ccc21 ZINC000044745801 175241871 /nfs/dbraw/zinc/24/18/71/175241871.db2.gz RPXCJINBVYDTKF-OAHLLOKOSA-N 1 0 276.380 2.188 10 0 CEAERO COCCOCC[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000044747626 175242961 /nfs/dbraw/zinc/24/29/61/175242961.db2.gz IUIRSLJSVHIFDW-OAHLLOKOSA-N 1 0 265.353 2.022 10 0 CEAERO C[C@@H](NC(=O)C1(C[NH3+])CCCCC1)c1ccccn1 ZINC000044762645 175246695 /nfs/dbraw/zinc/24/66/95/175246695.db2.gz NIGAACWETJLZDE-GFCCVEGCSA-N 1 0 261.369 2.168 10 0 CEAERO [NH3+]CC1(C(=O)N2CCO[C@@H]3CCC[C@@H]32)CCCCCC1 ZINC000044764333 175248225 /nfs/dbraw/zinc/24/82/25/175248225.db2.gz NOMBVVIERGJDRJ-UONOGXRCSA-N 1 0 280.412 2.066 10 0 CEAERO CC[C@@H](C)N(CCOC)C(=O)C(CC)(CC)C[NH3+] ZINC000044764124 175248352 /nfs/dbraw/zinc/24/83/52/175248352.db2.gz GFICEKFIPOYMOI-GFCCVEGCSA-N 1 0 258.406 2.025 10 0 CEAERO CC[NH+](CC)CCNC(=O)C1(C(N)=S)CCCCCC1 ZINC000044767732 175250469 /nfs/dbraw/zinc/25/04/69/175250469.db2.gz FSRAYWXGHPQNSV-UHFFFAOYSA-N 1 0 299.484 2.071 10 0 CEAERO C[C@@H](C1CC1)N(C)C(=O)[C@H](C[NH3+])Cc1ccccc1 ZINC000044801953 175255559 /nfs/dbraw/zinc/25/55/59/175255559.db2.gz LNFARKGXALDPKJ-WFASDCNBSA-N 1 0 260.381 2.061 10 0 CEAERO CC[C@H](C)N(CC)C(=O)[C@@H](C[NH3+])Cc1ccccc1 ZINC000044800650 175255562 /nfs/dbraw/zinc/25/55/62/175255562.db2.gz UCZYTBPMQUYEEH-DZGCQCFKSA-N 1 0 262.397 2.451 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)N1CCOC[C@H]1CC ZINC000044802342 175256016 /nfs/dbraw/zinc/25/60/16/175256016.db2.gz RWUMHCPMULXTIE-CYBMUJFWSA-N 1 0 270.417 2.169 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)N1CCOCC1(C)C ZINC000044804503 175256225 /nfs/dbraw/zinc/25/62/25/175256225.db2.gz GNBSGNGJMFAZLW-UHFFFAOYSA-N 1 0 270.417 2.169 10 0 CEAERO CCC1CCN(C(=O)[C@@H](C[NH3+])Cc2ccccc2)CC1 ZINC000044804249 175256262 /nfs/dbraw/zinc/25/62/62/175256262.db2.gz AOTXJYNHPIKYBV-MRXNPFEDSA-N 1 0 274.408 2.453 10 0 CEAERO CC(C)[C@@H](C[NH3+])C(=O)N[C@H](C)c1cccc(F)c1 ZINC000044806367 175256358 /nfs/dbraw/zinc/25/63/58/175256358.db2.gz LTLQQVNHXFKPCK-ZWNOBZJWSA-N 1 0 252.333 2.234 10 0 CEAERO CC[C@@H](NC(=O)[C@@H](C[NH3+])Cc1ccccc1)C(C)C ZINC000044805649 175256690 /nfs/dbraw/zinc/25/66/90/175256690.db2.gz BIASUXUJSWSVGR-HUUCEWRRSA-N 1 0 262.397 2.355 10 0 CEAERO CCOc1nc(NC[C@H](C)[NH+]2CCCCC2)ccc1N ZINC000044989074 175285782 /nfs/dbraw/zinc/28/57/82/175285782.db2.gz JMVAAGOMOYKICB-LBPRGKRZSA-N 1 0 278.400 2.349 10 0 CEAERO CCC(CC)(C(N)=S)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000045009318 175289358 /nfs/dbraw/zinc/28/93/58/175289358.db2.gz MILKWWUKZUBKJI-GFCCVEGCSA-N 1 0 299.484 2.070 10 0 CEAERO COCC[C@H](C)[NH2+][C@@H](CC(=O)OC)c1cccs1 ZINC000045023371 175292446 /nfs/dbraw/zinc/29/24/46/175292446.db2.gz DIRFMWGKSQKCHL-QWRGUYRKSA-N 1 0 271.382 2.367 10 0 CEAERO CCOC(=O)[C@](C)(CCOC)NC1CCCCC1 ZINC000045044380 175295500 /nfs/dbraw/zinc/29/55/00/175295500.db2.gz JUFGXCJLWNSWOH-AWEZNQCLSA-N 1 0 257.374 2.267 10 0 CEAERO CC(C)[NH2+]CCCS(=O)(=O)NC1(C)CCCCC1 ZINC000045047357 175296792 /nfs/dbraw/zinc/29/67/92/175296792.db2.gz QOJBCFXPTYAPMK-UHFFFAOYSA-N 1 0 276.446 2.017 10 0 CEAERO CCCNC(=O)CCNc1ccc(N)c2c[nH+]ccc12 ZINC000045071861 175302192 /nfs/dbraw/zinc/30/21/92/175302192.db2.gz NTHUZZWHQUWBCM-UHFFFAOYSA-N 1 0 272.352 2.145 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N[C@@H]2CC2(C)C)cc1 ZINC000045138125 175314781 /nfs/dbraw/zinc/31/47/81/175314781.db2.gz XIEICVWUSDMAAW-SMDDNHRTSA-N 1 0 296.436 2.434 10 0 CEAERO Cc1nn(C)c(C)c1[C@H](C)[NH2+]CC(C)(C)N(C)C ZINC000045168217 175319426 /nfs/dbraw/zinc/31/94/26/175319426.db2.gz DJCNOUNPDRBUOE-JTQLQIEISA-N 1 0 252.406 2.028 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]C[C@@H](O)c1ccccc1 ZINC000045169702 175320526 /nfs/dbraw/zinc/32/05/26/175320526.db2.gz YGGJATLJNZDVIR-IAQYHMDHSA-N 1 0 273.380 2.421 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)[NH2+][C@H](C)c1cnn(C)c1C ZINC000045171323 175320960 /nfs/dbraw/zinc/32/09/60/175320960.db2.gz HLTVBDMDVRQCCD-NXEZZACHSA-N 1 0 275.400 2.491 10 0 CEAERO CCC[NH2+][C@](C)(CC[N@@H+]1CCC[C@@H]1CC)C(=O)[O-] ZINC000045221246 175330330 /nfs/dbraw/zinc/33/03/30/175330330.db2.gz ZMUNCPXTCUGXJB-GXTWGEPZSA-N 1 0 256.390 2.094 10 0 CEAERO CC[N@H+](CC[C@@](C)(NC1CC1)C(N)=O)C1CCCCC1 ZINC000045224178 175331873 /nfs/dbraw/zinc/33/18/73/175331873.db2.gz VJDGYSKIORPGCN-MRXNPFEDSA-N 1 0 281.444 2.027 10 0 CEAERO CC[NH2+][C@@](C)(CC[N@H+](CC)C1CCCCC1)C(=O)[O-] ZINC000045224103 175332006 /nfs/dbraw/zinc/33/20/06/175332006.db2.gz KOSOLTIMQNRMSV-HNNXBMFYSA-N 1 0 270.417 2.484 10 0 CEAERO CCOC(=O)[C@@](C)(CC[NH+]1[C@@H](C)CCC[C@@H]1C)NC ZINC000045231910 175335366 /nfs/dbraw/zinc/33/53/66/175335366.db2.gz VXZJKTWKOBQCBI-KCQAQPDRSA-N 1 0 270.417 2.181 10 0 CEAERO CCN[C@](C)(CC[N@H+](C)C1CCCC1)C(=O)OCC ZINC000045266263 175339091 /nfs/dbraw/zinc/33/90/91/175339091.db2.gz WWDSUPTWLWXOTK-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CCC[N@H+](CC[C@](C)(NC(C)C)C(=O)OC)C(C)C ZINC000045266960 175339299 /nfs/dbraw/zinc/33/92/99/175339299.db2.gz QTHUQRQMHMHEJV-HNNXBMFYSA-N 1 0 272.433 2.427 10 0 CEAERO CCC[N@H+](C[C@@](C)(NCC)C(=O)OCC)C(C)C ZINC000045266791 175339318 /nfs/dbraw/zinc/33/93/18/175339318.db2.gz LFNTUXFRVNNNJG-CQSZACIVSA-N 1 0 258.406 2.038 10 0 CEAERO CCCCC[N@H+](C)CC[C@](C)(NC)C(=O)OCC ZINC000045268218 175340624 /nfs/dbraw/zinc/34/06/24/175340624.db2.gz DEIHZEMAULTCDI-AWEZNQCLSA-N 1 0 258.406 2.040 10 0 CEAERO CCC[NH2+][C@@](C)(CC[N@H+](CC)C1CCCC1)C(=O)[O-] ZINC000045269262 175340747 /nfs/dbraw/zinc/34/07/47/175340747.db2.gz DJCWEQIATOWNMX-HNNXBMFYSA-N 1 0 270.417 2.484 10 0 CEAERO CCCCC[N@H+](C)CC[C@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000045268198 175340953 /nfs/dbraw/zinc/34/09/53/175340953.db2.gz UAYULLFHDDQOCT-AWEZNQCLSA-N 1 0 256.390 2.094 10 0 CEAERO CCOC(=O)[C@@](C)(C[N@H+](C)[C@@H](C)C(C)C)NC(C)C ZINC000045269876 175341546 /nfs/dbraw/zinc/34/15/46/175341546.db2.gz SICKEYQDJOMSFD-DZGCQCFKSA-N 1 0 272.433 2.283 10 0 CEAERO CCOC(=O)[C@@](C)(N)CC[N@H+](C)C1CCCCCC1 ZINC000045271976 175342469 /nfs/dbraw/zinc/34/24/69/175342469.db2.gz MMXJWNOPCDUSPM-HNNXBMFYSA-N 1 0 270.417 2.312 10 0 CEAERO CC[NH2+][C@@](C)(CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)[O-] ZINC000045272119 175343433 /nfs/dbraw/zinc/34/34/33/175343433.db2.gz JCIZUWHPHNJPPW-LZWOXQAQSA-N 1 0 282.428 2.341 10 0 CEAERO CCN[C@](C)(C[N@H+](C)[C@@H](C)C(C)(C)C)C(=O)OCC ZINC000045274714 175344822 /nfs/dbraw/zinc/34/48/22/175344822.db2.gz MFYAHFAELUWLKP-SWLSCSKDSA-N 1 0 272.433 2.284 10 0 CEAERO CCC[NH2+][C@@](C)(CC[N@H+](CCC)CC1CC1)C(=O)[O-] ZINC000045276872 175346269 /nfs/dbraw/zinc/34/62/69/175346269.db2.gz IKTNQPGCOMEGJW-HNNXBMFYSA-N 1 0 270.417 2.341 10 0 CEAERO CC(C)N[C@@](C)(CC[N@H+](C)[C@@H]1CCC[C@@H](C)C1)C(N)=O ZINC000045276715 175346671 /nfs/dbraw/zinc/34/66/71/175346671.db2.gz PXFFIUXAUGMFDA-FMKPAKJESA-N 1 0 283.460 2.129 10 0 CEAERO COC(=O)[C@@](C)(C[N@H+](C)C1CCC(C)CC1)NC(C)C ZINC000045280553 175350377 /nfs/dbraw/zinc/35/03/77/175350377.db2.gz PLPSGKHYGKUQJZ-ZBCRRDGASA-N 1 0 284.444 2.427 10 0 CEAERO CCOC(=O)[C@@](C)(C[N@H+](CC1CC1)C(C)C)NC(C)C ZINC000045280988 175351219 /nfs/dbraw/zinc/35/12/19/175351219.db2.gz YDLZJVRDDLGYSV-MRXNPFEDSA-N 1 0 284.444 2.427 10 0 CEAERO COC(=O)[C@@](C)(CC[N@H+](CC1CC1)C(C)C)NC1CC1 ZINC000045281063 175351454 /nfs/dbraw/zinc/35/14/54/175351454.db2.gz VAHYQCTULQXWPM-MRXNPFEDSA-N 1 0 282.428 2.181 10 0 CEAERO CCC[NH2+][C@](C)(CCCC[N@@H+]1CCC[C@@H]1C)C(=O)[O-] ZINC000045367737 175363074 /nfs/dbraw/zinc/36/30/74/175363074.db2.gz VEUIUKVDLWVXCP-DZGCQCFKSA-N 1 0 270.417 2.484 10 0 CEAERO C[NH2+][C@](C)(CCCC[NH+]1CCCCCC1)C(=O)[O-] ZINC000045377409 175367218 /nfs/dbraw/zinc/36/72/18/175367218.db2.gz SGMUWCKMQIXZMS-CQSZACIVSA-N 1 0 256.390 2.095 10 0 CEAERO COC(=O)[C@](C)(CCCC[NH+]1CCCCC1)NC1CC1 ZINC000045378286 175367467 /nfs/dbraw/zinc/36/74/67/175367467.db2.gz PQMCIWNSADVVKD-INIZCTEOSA-N 1 0 282.428 2.326 10 0 CEAERO CCN[C@@](C)(CCCC[N@H+](C)C(C)C)C(=O)OCC ZINC000045377977 175367656 /nfs/dbraw/zinc/36/76/56/175367656.db2.gz MSUZESXAGOIINJ-HNNXBMFYSA-N 1 0 272.433 2.428 10 0 CEAERO CCOC(=O)[C@@H](C[N@H+](C)C1CCCCC1)NC(C)C ZINC000045379021 175368062 /nfs/dbraw/zinc/36/80/62/175368062.db2.gz WISYYEUOLZZVIP-CQSZACIVSA-N 1 0 270.417 2.181 10 0 CEAERO CCOC(=O)[C@@](C)(N)CCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000045379682 175369048 /nfs/dbraw/zinc/36/90/48/175369048.db2.gz YKBCBSLJEXCSPX-GUTXKFCHSA-N 1 0 270.417 2.310 10 0 CEAERO CCC[NH2+][C@](C)(CCC[N@H+](C)CC(C)C)C(=O)[O-] ZINC000045380947 175370083 /nfs/dbraw/zinc/37/00/83/175370083.db2.gz JFPPDOZBQXVBBZ-CQSZACIVSA-N 1 0 258.406 2.197 10 0 CEAERO CCC[N@H+](C)CCCC[C@](C)(NCC)C(=O)OCC ZINC000045382176 175370334 /nfs/dbraw/zinc/37/03/34/175370334.db2.gz CAVWZEPLIKOUQN-HNNXBMFYSA-N 1 0 272.433 2.430 10 0 CEAERO CC[N@H+](C)CCCC[C@@](C)(NC(C)C)C(=O)OC ZINC000045382745 175371279 /nfs/dbraw/zinc/37/12/79/175371279.db2.gz YAQOYBNPCRUQRU-CQSZACIVSA-N 1 0 258.406 2.038 10 0 CEAERO CCC[N@H+](CC)CCC[C@](C)(NC)C(=O)OCC ZINC000045387060 175372964 /nfs/dbraw/zinc/37/29/64/175372964.db2.gz UBWQHLNVQYRAAU-AWEZNQCLSA-N 1 0 258.406 2.040 10 0 CEAERO CCCN[C@](C)(CCC[N@H+](CC)CCC)C(=O)OC ZINC000045387101 175373377 /nfs/dbraw/zinc/37/33/77/175373377.db2.gz GLXSNSMWDQMOGK-OAHLLOKOSA-N 1 0 272.433 2.430 10 0 CEAERO COC(=O)[C@@H](C[N@H+](C)C1CCCCCC1)NC(C)C ZINC000045419098 175377548 /nfs/dbraw/zinc/37/75/48/175377548.db2.gz POLONNXEIPOLOT-CQSZACIVSA-N 1 0 270.417 2.181 10 0 CEAERO CCN(CCC[C@](C)([NH2+]C)C(N)=O)c1cccc(C)c1 ZINC000045420055 175378501 /nfs/dbraw/zinc/37/85/01/175378501.db2.gz XELXRRHDHVQVDQ-INIZCTEOSA-N 1 0 277.412 2.065 10 0 CEAERO CC[NH2+][C@@](C)(CCCN(CC)c1cccc(C)c1)C(N)=O ZINC000045420057 175378825 /nfs/dbraw/zinc/37/88/25/175378825.db2.gz XLDNWDDGIMCPFL-KRWDZBQOSA-N 1 0 291.439 2.455 10 0 CEAERO Cc1ccccc1C1CC([NH2+]C[C@H]2CC(=O)N(C)C2)C1 ZINC000658239243 415270132 /nfs/dbraw/zinc/27/01/32/415270132.db2.gz LJWCLZOTTOHOOL-WLYUNCDWSA-N 1 0 272.392 2.309 10 0 CEAERO Cc1cc([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(C)C2)c(C)o1 ZINC000658241269 415273350 /nfs/dbraw/zinc/27/33/50/415273350.db2.gz CQYVULXBQPRABT-PWSUYJOCSA-N 1 0 250.342 2.025 10 0 CEAERO CN1C[C@H](C[NH2+]C2CC(c3cccc(F)c3)C2)CC1=O ZINC000658241051 415274794 /nfs/dbraw/zinc/27/47/94/415274794.db2.gz UGWBJPKGAJYZAX-ZOODHJKOSA-N 1 0 276.355 2.140 10 0 CEAERO COc1cc(C)ccc1[C@H](C)[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000658244525 415279972 /nfs/dbraw/zinc/27/99/72/415279972.db2.gz LQNCUIXCDHVRPR-STQMWFEESA-N 1 0 276.380 2.133 10 0 CEAERO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1cc(F)ccc1F ZINC000658245593 415281472 /nfs/dbraw/zinc/28/14/72/415281472.db2.gz SRTJXBLMGVQBJQ-UWVGGRQHSA-N 1 0 268.307 2.094 10 0 CEAERO C[NH2+]C[C@H]1CC[C@@H](COc2ccc(C)cc2OC)O1 ZINC000052647076 175536516 /nfs/dbraw/zinc/53/65/16/175536516.db2.gz VAERJXKUAOREAS-OLZOCXBDSA-N 1 0 265.353 2.149 10 0 CEAERO Cc1cccc(OCC[N@@H+](C)C[C@@H](O)COC(C)(C)C)c1 ZINC000052816207 175538677 /nfs/dbraw/zinc/53/86/77/175538677.db2.gz GENAFBLCNGCPAE-OAHLLOKOSA-N 1 0 295.423 2.482 10 0 CEAERO CC1(C)[C@H]([NH2+]C[C@H]2CCOC2(C)C)[C@H]2CCO[C@H]21 ZINC000658332460 415321595 /nfs/dbraw/zinc/32/15/95/415321595.db2.gz UOWPYMOUUCZLMW-FDYHWXHSSA-N 1 0 253.386 2.205 10 0 CEAERO C[C@H]([NH2+]CCC1=CCCCC1)C(=O)N1CCCC1 ZINC000055422012 175578780 /nfs/dbraw/zinc/57/87/80/175578780.db2.gz YCDWRCVRCHLLGW-ZDUSSCGKSA-N 1 0 250.386 2.477 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@H](C2CCCCC2)C1 ZINC000659357764 415539049 /nfs/dbraw/zinc/53/90/49/415539049.db2.gz MDNPNAJIENOTPK-BPLDGKMQSA-N 1 0 264.413 2.271 10 0 CEAERO CC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000659383189 415552093 /nfs/dbraw/zinc/55/20/93/415552093.db2.gz MMDMDJGDZSROGZ-URSGVKGYSA-N 1 0 250.386 2.164 10 0 CEAERO O=C(NC1CCC(C2CCC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000659387391 415558035 /nfs/dbraw/zinc/55/80/35/415558035.db2.gz ZLINKPYBWBPPNZ-ROKHWSDSSA-N 1 0 250.386 2.071 10 0 CEAERO CCCCOC[C@@H](O)C[NH2+]CCc1ncc(C)cc1C ZINC000656154269 415613900 /nfs/dbraw/zinc/61/39/00/415613900.db2.gz UABWLGIVRGCOBC-HNNXBMFYSA-N 1 0 280.412 2.008 10 0 CEAERO CC[C@@]1(C)C[C@@]([NH2+]C2CCCCC2)(C(N)=O)CCO1 ZINC000070367826 175897888 /nfs/dbraw/zinc/89/78/88/175897888.db2.gz VNZRJFHDOSCYEP-LSDHHAIUSA-N 1 0 268.401 2.112 10 0 CEAERO CCC[C@H]1C[C@@H](N2CCCC[C@@H]2C[NH2+]C)CCO1 ZINC000070368192 175898051 /nfs/dbraw/zinc/89/80/51/175898051.db2.gz MVFUZRNKSWZPBN-ZNMIVQPWSA-N 1 0 254.418 2.408 10 0 CEAERO Nc1cc[nH+]cc1C[C@@H](O)Cc1cc(F)cc(F)c1 ZINC000070400518 175910417 /nfs/dbraw/zinc/91/04/17/175910417.db2.gz WYVYMKXCDYFFSK-ZDUSSCGKSA-N 1 0 264.275 2.088 10 0 CEAERO C[C@H]1CCCCCN1S(=O)(=O)c1ccc(CC[NH3+])cc1 ZINC000070411219 175914825 /nfs/dbraw/zinc/91/48/25/175914825.db2.gz CJLITUJSQRDICY-ZDUSSCGKSA-N 1 0 296.436 2.141 10 0 CEAERO Cc1ccccc1-c1cc(N2CCC[NH2+]CC2)n[nH]1 ZINC000070460009 175942120 /nfs/dbraw/zinc/94/21/20/175942120.db2.gz QLPUKXQWYQOBNQ-UHFFFAOYSA-N 1 0 256.353 2.185 10 0 CEAERO CN(Cc1ccccc1Cl)[C@@]1(C[NH3+])CCCOC1 ZINC000070465039 175945490 /nfs/dbraw/zinc/94/54/90/175945490.db2.gz GERFHGPUEODSNS-CQSZACIVSA-N 1 0 268.788 2.280 10 0 CEAERO C[NH2+][C@H](CS(C)(=O)=O)c1cc(C)c(Cl)cc1C ZINC000070475423 175949410 /nfs/dbraw/zinc/94/94/10/175949410.db2.gz ULESJOFKXLDQBZ-GFCCVEGCSA-N 1 0 275.801 2.262 10 0 CEAERO CC(C)[NH2+]C[C@@H]1CCCN([C@@H](C)c2cnccn2)C1 ZINC000070480030 175952223 /nfs/dbraw/zinc/95/22/23/175952223.db2.gz OUYXBXKQUOJEDU-KBPBESRZSA-N 1 0 262.401 2.248 10 0 CEAERO CC(C)[C@H](c1cccs1)N1CCC[C@H]([NH3+])C1=O ZINC000070494960 175956432 /nfs/dbraw/zinc/95/64/32/175956432.db2.gz MECBVTBUSPWWKH-CMPLNLGQSA-N 1 0 252.383 2.395 10 0 CEAERO [NH3+][C@@H](c1ccc2c(c1)C(=O)NCC2)c1cccc(F)c1F ZINC000070544556 175978961 /nfs/dbraw/zinc/97/89/61/175978961.db2.gz XICPTJPQLPIKGK-HNNXBMFYSA-N 1 0 288.297 2.299 10 0 CEAERO C[NH2+][C@@H](c1cc(C)oc1C)c1ccc2c(c1)C(=O)NCC2 ZINC000070544708 175979466 /nfs/dbraw/zinc/97/94/66/175979466.db2.gz FIRCZDUSGDGCIQ-MRXNPFEDSA-N 1 0 284.359 2.491 10 0 CEAERO [NH3+]CCc1ccccc1-c1nc(-c2ccccn2)no1 ZINC000070551151 175979894 /nfs/dbraw/zinc/97/98/94/175979894.db2.gz RJDYGRUSSYKGRU-UHFFFAOYSA-N 1 0 266.304 2.300 10 0 CEAERO Cc1cccc(OCCNC(=O)[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000070577896 175993429 /nfs/dbraw/zinc/99/34/29/175993429.db2.gz QHBHCXSKDBUOQQ-KBPBESRZSA-N 1 0 276.380 2.008 10 0 CEAERO NC(=S)C1CC[NH+](CCc2ccsc2)CC1 ZINC000070664053 176000172 /nfs/dbraw/zinc/00/01/72/176000172.db2.gz IDVHPEAHLHZILE-UHFFFAOYSA-N 1 0 254.424 2.289 10 0 CEAERO COc1ccc(Br)cc1[C@@H]1OCC[C@@H]1C[NH3+] ZINC000070674114 176000625 /nfs/dbraw/zinc/00/06/25/176000625.db2.gz TUVSEPNVKCYTJJ-PRHODGIISA-N 1 0 286.169 2.494 10 0 CEAERO Cc1ncsc1CN(C)c1nc(C[NH3+])cs1 ZINC000070682424 176001461 /nfs/dbraw/zinc/00/14/61/176001461.db2.gz OZKMHAVMQSUQQT-UHFFFAOYSA-N 1 0 254.384 2.003 10 0 CEAERO C[NH2+]Cc1ccn(Cc2sccc2Br)n1 ZINC000070708971 176002751 /nfs/dbraw/zinc/00/27/51/176002751.db2.gz AOWVJHIPCHKJSY-UHFFFAOYSA-N 1 0 286.198 2.475 10 0 CEAERO CC(C)(C)OCc1cccc(CNC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000070817255 176007051 /nfs/dbraw/zinc/00/70/51/176007051.db2.gz ADJQVKCJPANMQV-HNNXBMFYSA-N 1 0 290.407 2.370 10 0 CEAERO [NH3+][C@H]1CCC(=O)N[C@H]1c1c(Cl)cccc1Cl ZINC000070824363 176007627 /nfs/dbraw/zinc/00/76/27/176007627.db2.gz PPTMLZBXMLQHEM-GZMMTYOYSA-N 1 0 259.136 2.272 10 0 CEAERO CCC[NH2+][C@H]1CCN([C@H](C)Cc2cccs2)C1=O ZINC000070940656 176014676 /nfs/dbraw/zinc/01/46/76/176014676.db2.gz LZACRJXGKNKXOW-YPMHNXCESA-N 1 0 266.410 2.280 10 0 CEAERO COc1ccc(NC(=O)N(CC[NH3+])C2CCCC2)cc1 ZINC000070943745 176016260 /nfs/dbraw/zinc/01/62/60/176016260.db2.gz BCJQJCKOSAHWKN-UHFFFAOYSA-N 1 0 277.368 2.430 10 0 CEAERO [NH3+][C@H]1CCC(=O)N(C2CC2)[C@H]1c1cccc2cccnc21 ZINC000070987264 176018354 /nfs/dbraw/zinc/01/83/54/176018354.db2.gz JJFGVQYEHPKUJC-YOEHRIQHSA-N 1 0 281.359 2.388 10 0 CEAERO Cc1ccc([C@H]2[C@H]([NH3+])CCC(=O)N2C2CC2)cc1C ZINC000070987588 176018675 /nfs/dbraw/zinc/01/86/75/176018675.db2.gz OZFCJDRBFOFSPA-ZBFHGGJFSA-N 1 0 258.365 2.457 10 0 CEAERO Cc1ccc2cccc(N3CC[C@@H]([NH2+]C4CC4)C3=O)c2n1 ZINC000071031458 176022989 /nfs/dbraw/zinc/02/29/89/176022989.db2.gz UUXYENQHQFLCIM-CQSZACIVSA-N 1 0 281.359 2.401 10 0 CEAERO CC(C)[NH2+][C@H]1CCCN([C@@H](C)Cc2ccco2)C1=O ZINC000071032182 176023201 /nfs/dbraw/zinc/02/32/01/176023201.db2.gz WWNMSEAUZUPEPX-JSGCOSHPSA-N 1 0 264.369 2.200 10 0 CEAERO C[NH2+][C@H]1CCCN([C@H](C)c2sc(C)nc2C)C1=O ZINC000071036210 176025514 /nfs/dbraw/zinc/02/55/14/176025514.db2.gz JULPARKQOQTTFU-KOLCDFICSA-N 1 0 267.398 2.031 10 0 CEAERO CSc1ccc(N2CC[C@@H]([NH2+]C3CC3)C2=O)cc1 ZINC000071037948 176026445 /nfs/dbraw/zinc/02/64/45/176026445.db2.gz CPAFMVLXSUSRER-CYBMUJFWSA-N 1 0 262.378 2.266 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCN1c1ccc(OC(F)F)cc1 ZINC000071039450 176027098 /nfs/dbraw/zinc/02/70/98/176027098.db2.gz GSNRLLDGEBNHJW-LBPRGKRZSA-N 1 0 282.290 2.145 10 0 CEAERO Cc1ccc(F)c(N2CC[C@H]([NH2+]C(C)C)C2=O)c1 ZINC000071039064 176027141 /nfs/dbraw/zinc/02/71/41/176027141.db2.gz XMWIQDNBIUGEEB-LBPRGKRZSA-N 1 0 250.317 2.237 10 0 CEAERO CC[NH2+][C@H]1CCCN([C@@H](C)c2cccs2)C1=O ZINC000071040263 176027630 /nfs/dbraw/zinc/02/76/30/176027630.db2.gz FCWUBZNQTARLRV-QWRGUYRKSA-N 1 0 252.383 2.410 10 0 CEAERO C[C@@H](c1cccs1)N1CC[C@@H]([NH2+]C2CC2)C1=O ZINC000071040249 176027723 /nfs/dbraw/zinc/02/77/23/176027723.db2.gz RFGQZENECPMQTD-GXSJLCMTSA-N 1 0 250.367 2.162 10 0 CEAERO COc1ccc(N2CCC[C@@H]([NH2+]C(C)C)C2=O)c(C)c1 ZINC000071042630 176028410 /nfs/dbraw/zinc/02/84/10/176028410.db2.gz GWWVFPWKNLWDNK-CQSZACIVSA-N 1 0 276.380 2.497 10 0 CEAERO CC[NH2+][C@H]1CCCN(c2ccc(OC)cc2C)C1=O ZINC000071042627 176028541 /nfs/dbraw/zinc/02/85/41/176028541.db2.gz ITCIBYFONMSWKA-ZDUSSCGKSA-N 1 0 262.353 2.109 10 0 CEAERO CC[NH2+][C@H]1CCCN(c2cc(F)cc(F)c2F)C1=O ZINC000071042861 176029342 /nfs/dbraw/zinc/02/93/42/176029342.db2.gz AWCRXECCVXMXDZ-JTQLQIEISA-N 1 0 272.270 2.209 10 0 CEAERO C[NH2+][C@@H]1CCCN(c2ccc(C)c(Br)c2)C1=O ZINC000071043647 176030015 /nfs/dbraw/zinc/03/00/15/176030015.db2.gz UXFLBXQELBTPMF-GFCCVEGCSA-N 1 0 297.196 2.472 10 0 CEAERO c1ccc2c(c1)CCO[C@H]2C[NH2+]C[C@H]1CCCCO1 ZINC000071090961 176031346 /nfs/dbraw/zinc/03/13/46/176031346.db2.gz RVPGJVCMDYRERW-ZBFHGGJFSA-N 1 0 261.365 2.459 10 0 CEAERO Cc1nn(C[C@H]2OCCc3ccccc32)c(C)c1C[NH3+] ZINC000071092270 176032255 /nfs/dbraw/zinc/03/22/55/176032255.db2.gz MRMKJKNHOQCWQW-MRXNPFEDSA-N 1 0 271.364 2.273 10 0 CEAERO C[NH2+][C@@H](C)c1cnn(C[C@@H]2OCCc3ccccc32)c1 ZINC000071098988 176032441 /nfs/dbraw/zinc/03/24/41/176032441.db2.gz TXPNDZMTNOZIHP-LRDDRELGSA-N 1 0 271.364 2.478 10 0 CEAERO CC[C@H]1CCC[C@@](C[NH3+])(N(C)Cc2cnn(C)c2)C1 ZINC000071123870 176035027 /nfs/dbraw/zinc/03/50/27/176035027.db2.gz AOMDKCXZKWZDIT-DZGCQCFKSA-N 1 0 264.417 2.150 10 0 CEAERO C[NH2+][C@H](c1ccc2c(c1)C(=O)N(C)C(=O)C2)C(C)(C)C ZINC000071139459 176038027 /nfs/dbraw/zinc/03/80/27/176038027.db2.gz OPAZEPRWPQMLOP-CQSZACIVSA-N 1 0 274.364 2.148 10 0 CEAERO CCc1cc2c(ncnc2N2CC[C@@H](C[NH2+]C)C2)s1 ZINC000071147955 176044151 /nfs/dbraw/zinc/04/41/51/176044151.db2.gz DHYDRRPRFVNNCI-JTQLQIEISA-N 1 0 276.409 2.299 10 0 CEAERO CC[C@H]1CCCC[C@]1(CN)[N@H+](CCOC)[C@@H](C)COC ZINC000071161956 176046083 /nfs/dbraw/zinc/04/60/83/176046083.db2.gz HYZQBFNCZDTOBG-HRCADAONSA-N 1 0 286.460 2.267 10 0 CEAERO CCOc1cncc(N(C)c2cccc(C[NH3+])c2)n1 ZINC000071175868 176054620 /nfs/dbraw/zinc/05/46/20/176054620.db2.gz COHVKVXUGQIXCH-UHFFFAOYSA-N 1 0 258.325 2.102 10 0 CEAERO CCOc1cncc(Nc2ccc(OCC)c(C[NH3+])c2)n1 ZINC000071177471 176055174 /nfs/dbraw/zinc/05/51/74/176055174.db2.gz IVWDWTTUPFNUBF-UHFFFAOYSA-N 1 0 288.351 2.476 10 0 CEAERO CCC[NH2+]C[C@H]1CCCN1c1cncc(OC(C)C)n1 ZINC000071176812 176055301 /nfs/dbraw/zinc/05/53/01/176055301.db2.gz MJEYKZVJWMMFRI-CYBMUJFWSA-N 1 0 278.400 2.232 10 0 CEAERO C[C@H](c1ccccc1F)N(C)c1cnc(C[NH3+])cn1 ZINC000071178122 176055753 /nfs/dbraw/zinc/05/57/53/176055753.db2.gz OZIIOVDTDIWDPT-SNVBAGLBSA-N 1 0 260.316 2.272 10 0 CEAERO CC[NH2+][C@H]1CCCc2cc(O[C@H]3CCN(C)C3=O)ccc21 ZINC000071183081 176058666 /nfs/dbraw/zinc/05/86/66/176058666.db2.gz KLZRIKQMEFTLHB-HOTGVXAUSA-N 1 0 288.391 2.283 10 0 CEAERO CN(C[C@H]1CC[N@H+](C)C1)c1nc2ccc(N)cc2s1 ZINC000071188384 176063056 /nfs/dbraw/zinc/06/30/56/176063056.db2.gz DBHOTBAPTBGWAW-JTQLQIEISA-N 1 0 276.409 2.266 10 0 CEAERO Cc1c(C)c(N(C)C[C@@H]2CC[N@H+](C)C2)nnc1Cl ZINC000071192742 176074788 /nfs/dbraw/zinc/07/47/88/176074788.db2.gz HXZTYKMQYQSCRI-LLVKDONJSA-N 1 0 268.792 2.135 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN(CCc2ccc(F)cc2)C1 ZINC000071198342 176077043 /nfs/dbraw/zinc/07/70/43/176077043.db2.gz OVSQNQCVOOEKHT-OAHLLOKOSA-N 1 0 250.361 2.441 10 0 CEAERO O=c1ccc(C(F)(F)F)cn1CCCC[NH2+]C1CC1 ZINC000071212093 176083939 /nfs/dbraw/zinc/08/39/39/176083939.db2.gz UIUIHJZJOAXFIV-UHFFFAOYSA-N 1 0 274.286 2.399 10 0 CEAERO COCCN(CCC(N)=[NH2+])Cc1cc(C)ccc1C ZINC000071229010 176090944 /nfs/dbraw/zinc/09/09/44/176090944.db2.gz HEWCJGOZUCFXFF-UHFFFAOYSA-N 1 0 263.385 2.078 10 0 CEAERO [NH3+]Cc1cc(F)ccc1COc1ccc(CO)cc1 ZINC000071264414 176098103 /nfs/dbraw/zinc/09/81/03/176098103.db2.gz RFBOULFOSXPAKL-UHFFFAOYSA-N 1 0 261.296 2.356 10 0 CEAERO C[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1C(N)=S ZINC000071265856 176099375 /nfs/dbraw/zinc/09/93/75/176099375.db2.gz TZRROQKIKDSPHM-SECBINFHSA-N 1 0 252.358 2.444 10 0 CEAERO C[C@@H]1C[N@H+](Cc2ccc(F)cc2C(N)=S)CCCO1 ZINC000071266266 176099974 /nfs/dbraw/zinc/09/99/74/176099974.db2.gz HFBXZCNWKDJHHM-SNVBAGLBSA-N 1 0 282.384 2.071 10 0 CEAERO CCCN(CC[NH+](C)C)Cc1ccc(F)cc1C(N)=S ZINC000071266190 176100253 /nfs/dbraw/zinc/10/02/53/176100253.db2.gz CCVAGOMHAFKBOT-UHFFFAOYSA-N 1 0 297.443 2.234 10 0 CEAERO COC[C@H](O)C[NH2+]C(c1cccs1)c1cccs1 ZINC000071270917 176104190 /nfs/dbraw/zinc/10/41/90/176104190.db2.gz VMMKVFKHDXLGTD-SNVBAGLBSA-N 1 0 283.418 2.496 10 0 CEAERO CCC[N@H+](CCCCCC(=O)[O-])C1CC[NH2+]CC1 ZINC000071286335 176109978 /nfs/dbraw/zinc/10/99/78/176109978.db2.gz KTUXWUJZFYQCGL-UHFFFAOYSA-N 1 0 256.390 2.095 10 0 CEAERO CCOC(=O)CCCCC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000071293500 176111472 /nfs/dbraw/zinc/11/14/72/176111472.db2.gz QNCYQNQVKOHVKM-QWHCGFSZSA-N 1 0 257.374 2.267 10 0 CEAERO CCOC(=O)CCCCC[NH2+]CCC(=O)N[C@H](C)CC ZINC000071293632 176111697 /nfs/dbraw/zinc/11/16/97/176111697.db2.gz ZZACAPXLUZNNMM-CYBMUJFWSA-N 1 0 286.416 2.004 10 0 CEAERO CCN(Cc1cc(C(C)=O)ccc1OC)[C@@H]1CC[NH2+]C1 ZINC000071313168 176119533 /nfs/dbraw/zinc/11/95/33/176119533.db2.gz HWPKBJMHJQCYIR-OAHLLOKOSA-N 1 0 276.380 2.082 10 0 CEAERO CCCS(=O)(=O)c1ccccc1N(CC)[C@H]1CC[NH2+]C1 ZINC000071314417 176121180 /nfs/dbraw/zinc/12/11/80/176121180.db2.gz HDCAUZJYTBFJMF-ZDUSSCGKSA-N 1 0 296.436 2.059 10 0 CEAERO CCCN(CC(=O)NCCC1=CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000071331531 176125081 /nfs/dbraw/zinc/12/50/81/176125081.db2.gz XKOYRFVRKRWYCM-MRXNPFEDSA-N 1 0 293.455 2.067 10 0 CEAERO CCCN(CC(=O)Nc1cccc(CC)c1)[C@H]1CC[NH2+]C1 ZINC000071331725 176125364 /nfs/dbraw/zinc/12/53/64/176125364.db2.gz RXZOSPFXBCAFAR-INIZCTEOSA-N 1 0 289.423 2.261 10 0 CEAERO CC[C@H]1C[NH2+]C(C)(C)CN1Cc1cn2ccccc2n1 ZINC000071342317 176130501 /nfs/dbraw/zinc/13/05/01/176130501.db2.gz FXEXDCHQWHNOIY-AWEZNQCLSA-N 1 0 272.396 2.297 10 0 CEAERO COCCOCC[N@@H+]1CC(C)(C)NCC12CCCCC2 ZINC000071343302 176130706 /nfs/dbraw/zinc/13/07/06/176130706.db2.gz CTPWGNVCTBCENK-UHFFFAOYSA-N 1 0 284.444 2.036 10 0 CEAERO CC1(C)C[N@H+](CCn2cccn2)C2(CCCCC2)CN1 ZINC000071343288 176131008 /nfs/dbraw/zinc/13/10/08/176131008.db2.gz RUSYDEMJTYPETR-UHFFFAOYSA-N 1 0 276.428 2.270 10 0 CEAERO COc1cccc(CN2CC(C)(C)[NH2+]C[C@]2(C)C2CC2)n1 ZINC000071343369 176131222 /nfs/dbraw/zinc/13/12/22/176131222.db2.gz RMURLRYLYXMPJF-QGZVFWFLSA-N 1 0 289.423 2.443 10 0 CEAERO CCC[C@]1(C(=O)NCc2ncccc2C)CCC[NH2+]C1 ZINC000071344855 176131483 /nfs/dbraw/zinc/13/14/83/176131483.db2.gz VWVQDOHGAIWLOR-INIZCTEOSA-N 1 0 275.396 2.176 10 0 CEAERO C[C@@H]1CN[C@H](C(C)(C)C)C[N@@H+]1CC1CCOCC1 ZINC000071345952 176132130 /nfs/dbraw/zinc/13/21/30/176132130.db2.gz KYRXZFBVTUUVNV-OCCSQVGLSA-N 1 0 254.418 2.121 10 0 CEAERO COCCN1C[C@@H](Cc2ccccc2)[NH2+]C[C@@H]1C(C)C ZINC000071352990 176135725 /nfs/dbraw/zinc/13/57/25/176135725.db2.gz CHRWBQZQRJBEIX-IAGOWNOFSA-N 1 0 276.424 2.174 10 0 CEAERO CC[C@H]1C[NH2+][C@](C)(CC)CN1Cc1cccc(OC)n1 ZINC000071356647 176136489 /nfs/dbraw/zinc/13/64/89/176136489.db2.gz AZEMQHVGSUBTGH-GOEBONIOSA-N 1 0 277.412 2.443 10 0 CEAERO CC[C@@H]1C[NH2+][C@](C)(CC)CN1C[C@@H]1CCCCO1 ZINC000071356658 176136638 /nfs/dbraw/zinc/13/66/38/176136638.db2.gz NIOVCDLVACAJLH-QLFBSQMISA-N 1 0 254.418 2.408 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(Cc2ncccn2)[C@@](C)(CC)C[NH2+]1 ZINC000071355878 176136945 /nfs/dbraw/zinc/13/69/45/176136945.db2.gz HKKUFINDSDRPSN-YCPHGPKFSA-N 1 0 276.428 2.465 10 0 CEAERO COc1cccc(CN2CC3(CCCC3)[NH2+]C[C@H]2C)n1 ZINC000071358220 176137260 /nfs/dbraw/zinc/13/72/60/176137260.db2.gz ZZVMDNMBQCNCIU-CYBMUJFWSA-N 1 0 275.396 2.197 10 0 CEAERO COCCOCCN1CC2(CCCC2)[NH2+]CC12CCCC2 ZINC000071359124 176137499 /nfs/dbraw/zinc/13/74/99/176137499.db2.gz FLERHBIYIYTYOH-UHFFFAOYSA-N 1 0 296.455 2.180 10 0 CEAERO CCCCOCCSc1nnc(C[NH3+])n1CCC ZINC000071375618 176140337 /nfs/dbraw/zinc/14/03/37/176140337.db2.gz IZCFQLDSTQIKCZ-UHFFFAOYSA-N 1 0 272.418 2.056 10 0 CEAERO C[N@H+](CCNc1cc2c(cc1N)CC(=O)N2)C1CCCC1 ZINC000071377029 176141850 /nfs/dbraw/zinc/14/18/50/176141850.db2.gz SPJFQPRYSZLYSM-UHFFFAOYSA-N 1 0 288.395 2.050 10 0 CEAERO CC[C@H]1CCCC[C@H]1[NH+]1CCN(CC(C)(C)O)CC1 ZINC000071382204 176145363 /nfs/dbraw/zinc/14/53/63/176145363.db2.gz DCKQOISRRCKINQ-LSDHHAIUSA-N 1 0 268.445 2.344 10 0 CEAERO [NH3+]Cc1cc2ccccc2nc1OC[C@@H]1CCOC1 ZINC000071385931 176147557 /nfs/dbraw/zinc/14/75/57/176147557.db2.gz GGYAWIQSQLLUAL-LLVKDONJSA-N 1 0 258.321 2.109 10 0 CEAERO CCCS(=O)(=O)c1ccc(N[C@H]2CCC[NH2+]C2)cc1 ZINC000071397771 176151414 /nfs/dbraw/zinc/15/14/14/176151414.db2.gz BDCIFVSOHSGCKG-ZDUSSCGKSA-N 1 0 282.409 2.034 10 0 CEAERO CN(C)C(=O)CCOc1ccc(C[NH3+])cc1C(F)(F)F ZINC000071398271 176151861 /nfs/dbraw/zinc/15/18/61/176151861.db2.gz BYPAWVKRQUVPMH-UHFFFAOYSA-N 1 0 290.285 2.021 10 0 CEAERO CC[NH2+]Cc1cc(C)ccc1OCC(=O)N(C)C(C)C ZINC000071406131 176156018 /nfs/dbraw/zinc/15/60/18/176156018.db2.gz NIDXKGKVZNSJIL-UHFFFAOYSA-N 1 0 278.396 2.350 10 0 CEAERO Cc1ccc(OC[C@@H](C)C(N)=O)c(C[NH2+]C(C)(C)C)c1 ZINC000071407183 176156211 /nfs/dbraw/zinc/15/62/11/176156211.db2.gz WKDVCIUFAFUANH-GFCCVEGCSA-N 1 0 278.396 2.383 10 0 CEAERO Cc1ccc(O[C@@H](C)C(=O)N(C)C)c(C[NH2+]C2CC2)c1 ZINC000071406974 176156315 /nfs/dbraw/zinc/15/63/15/176156315.db2.gz ZRJHDLNDBMQYNU-LBPRGKRZSA-N 1 0 276.380 2.103 10 0 CEAERO COCC[NH2+]Cc1cc(C)ccc1OCC(F)F ZINC000071407598 176156427 /nfs/dbraw/zinc/15/64/27/176156427.db2.gz UKRDPOPEZKOQNQ-UHFFFAOYSA-N 1 0 259.296 2.375 10 0 CEAERO Cc1ccc(O[C@H](C)C(=O)NCC(C)C)c(C[C@H](C)[NH3+])c1 ZINC000071411694 176157035 /nfs/dbraw/zinc/15/70/35/176157035.db2.gz ZGBCUOLGOIKELE-UONOGXRCSA-N 1 0 292.423 2.424 10 0 CEAERO CC[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(C)cc1CC[NH3+] ZINC000071411282 176157063 /nfs/dbraw/zinc/15/70/63/176157063.db2.gz WXZUWLMIIPUFSE-CHWSQXEVSA-N 1 0 278.396 2.178 10 0 CEAERO C[NH+](C)Cc1c(C(=O)NC2CCCC2)nc2ccccn21 ZINC000071543071 176196026 /nfs/dbraw/zinc/19/60/26/176196026.db2.gz HOFDUQYWQJOHTH-UHFFFAOYSA-N 1 0 286.379 2.068 10 0 CEAERO COc1ccc(C[C@H]([NH3+])CN(C)C)cc1C(C)C ZINC000071572680 176199012 /nfs/dbraw/zinc/19/90/12/176199012.db2.gz LZHYEEKCAMBHQT-ZDUSSCGKSA-N 1 0 250.386 2.250 10 0 CEAERO [NH3+]Cc1nccn1-c1cccc(Br)c1 ZINC000071573921 176200656 /nfs/dbraw/zinc/20/06/56/176200656.db2.gz QWRHNNJLVVKUFQ-UHFFFAOYSA-N 1 0 252.115 2.094 10 0 CEAERO COc1ccc(Cl)cc1C[C@H]1C[NH2+]CCC1=O ZINC000071575086 176202272 /nfs/dbraw/zinc/20/22/72/176202272.db2.gz QBRYGHVINXTWJY-JTQLQIEISA-N 1 0 253.729 2.070 10 0 CEAERO COc1cc([C@@H](O)[C@@H](C)[NH2+]C2CC2)c(OC)cc1C ZINC000071597818 176221187 /nfs/dbraw/zinc/22/11/87/176221187.db2.gz JMMHIJIFOJNHJN-BMIGLBTASA-N 1 0 265.353 2.186 10 0 CEAERO [NH3+]C1(CNc2nccc(C(F)(F)F)n2)CCCC1 ZINC000656610180 415787390 /nfs/dbraw/zinc/78/73/90/415787390.db2.gz CQQYFPJIRQKBCS-UHFFFAOYSA-N 1 0 260.263 2.179 10 0 CEAERO CO[C@H](C[N@@H+]1C[C@H]2CCCCN2C[C@@H]1C)C1CCC1 ZINC000659935788 415794264 /nfs/dbraw/zinc/79/42/64/415794264.db2.gz NCKQHGIFTKACDH-NUEKZKHPSA-N 1 0 266.429 2.360 10 0 CEAERO CC[C@@H]([NH2+]C)C(=O)N[C@H](C)c1cc(F)ccc1F ZINC000662378570 415814257 /nfs/dbraw/zinc/81/42/57/415814257.db2.gz AESCKCMOVKXBQH-PRHODGIISA-N 1 0 256.296 2.140 10 0 CEAERO C[C@]1(C(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)CCCC[NH2+]1 ZINC000662664722 415924062 /nfs/dbraw/zinc/92/40/62/415924062.db2.gz GANPOMAKUFDNPF-UKTARXLSSA-N 1 0 250.386 2.071 10 0 CEAERO CC[C@@H]([NH2+]C)C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000662480270 415858976 /nfs/dbraw/zinc/85/89/76/415858976.db2.gz JFSFBTIVNRWPBY-GHMZBOCLSA-N 1 0 267.398 2.195 10 0 CEAERO O=C([C@H]1CCC[NH2+]C1)N1CCC[C@H](C2CCC2)C1 ZINC000662714985 415940230 /nfs/dbraw/zinc/94/02/30/415940230.db2.gz KOQQXXGPAALPIU-KBPBESRZSA-N 1 0 250.386 2.025 10 0 CEAERO COC[C@](C)([NH3+])c1cc(Br)ccc1F ZINC000076352051 176996885 /nfs/dbraw/zinc/99/68/85/176996885.db2.gz AIHLYYNRFCUDOB-JTQLQIEISA-N 1 0 262.122 2.409 10 0 CEAERO COc1cc(C)c([C@H](O)[C@@H](C)[NH2+]C2CC2)cc1OC ZINC000076372328 177008525 /nfs/dbraw/zinc/00/85/25/177008525.db2.gz TZOCVPKAQJTRGL-MEBBXXQBSA-N 1 0 265.353 2.186 10 0 CEAERO COc1cc(C)c(Cl)c(C)c1CCN(C)CC[NH3+] ZINC000076409111 177020149 /nfs/dbraw/zinc/02/01/49/177020149.db2.gz CRGFCYPFKKBLLI-UHFFFAOYSA-N 1 0 270.804 2.398 10 0 CEAERO [NH3+][C@H](Cn1cccn1)c1cc(Br)cs1 ZINC000076413332 177020941 /nfs/dbraw/zinc/02/09/41/177020941.db2.gz NTSZAGUMAZMPAN-MRVPVSSYSA-N 1 0 272.171 2.407 10 0 CEAERO CCc1ccc(OC[C@H](O)C[NH2+]C(C)(C)COC)cc1 ZINC000076495208 177028854 /nfs/dbraw/zinc/02/88/54/177028854.db2.gz ZIOFIPWRCKHVKJ-CQSZACIVSA-N 1 0 281.396 2.003 10 0 CEAERO CC[C@@H](C)NC(=O)[C@@H](CC[NH3+])c1ccccc1F ZINC000076656551 177045922 /nfs/dbraw/zinc/04/59/22/177045922.db2.gz SPSXPMXCLHRRSN-PWSUYJOCSA-N 1 0 252.333 2.173 10 0 CEAERO CC(C)CNC(=O)[C@@H](CC[NH3+])c1ccccc1F ZINC000076656537 177046068 /nfs/dbraw/zinc/04/60/68/177046068.db2.gz SKWPFNDVFMLQNY-LBPRGKRZSA-N 1 0 252.333 2.030 10 0 CEAERO CC[C@@H](C)NC(=O)C[C@@H](C[NH3+])c1cccc(F)c1 ZINC000076656639 177046109 /nfs/dbraw/zinc/04/61/09/177046109.db2.gz MZNIVYMNAWMKTK-PWSUYJOCSA-N 1 0 252.333 2.173 10 0 CEAERO CCCNC(=O)[C@H](CC[NH3+])c1cccc(Cl)c1 ZINC000076658720 177047547 /nfs/dbraw/zinc/04/75/47/177047547.db2.gz YZZQGUKEHUFBHU-GFCCVEGCSA-N 1 0 254.761 2.299 10 0 CEAERO CCNC(=O)[C@H](CCC[NH3+])c1ccc(Cl)cc1 ZINC000076658935 177047668 /nfs/dbraw/zinc/04/76/68/177047668.db2.gz SGFQNEAMYCAEJQ-GFCCVEGCSA-N 1 0 254.761 2.299 10 0 CEAERO CCNC(=O)[C@H](CCC[NH3+])c1ccccc1Cl ZINC000076658924 177047939 /nfs/dbraw/zinc/04/79/39/177047939.db2.gz YEXBEIKASWCMQM-LLVKDONJSA-N 1 0 254.761 2.299 10 0 CEAERO CC(C)(C)OC(=O)N[C@H]1C(C)(C)C12CC[NH2+]CC2 ZINC000076695628 177060454 /nfs/dbraw/zinc/06/04/54/177060454.db2.gz CDMYHBIYWJSRLE-JTQLQIEISA-N 1 0 254.374 2.289 10 0 CEAERO COc1ccc([C@H](C[NH3+])N(C)C2CC2)cc1Cl ZINC000077609411 177285315 /nfs/dbraw/zinc/28/53/15/177285315.db2.gz WSGYZHQRGRKZOC-LBPRGKRZSA-N 1 0 254.761 2.443 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)/C=C/c1ccco1 ZINC000077729720 177296838 /nfs/dbraw/zinc/29/68/38/177296838.db2.gz XYCZGCDGISSSAX-SBDDDAINSA-N 1 0 264.369 2.385 10 0 CEAERO CC(C)N(CC(F)(F)F)C(=O)CCC(C)(C)[NH3+] ZINC000078441523 177341715 /nfs/dbraw/zinc/34/17/15/177341715.db2.gz XPJSLLCGANXOAJ-UHFFFAOYSA-N 1 0 254.296 2.303 10 0 CEAERO O[C@@H](c1cnn(-c2ccccc2)c1)[C@H]1CCCC[NH2+]1 ZINC000078597616 177358033 /nfs/dbraw/zinc/35/80/33/177358033.db2.gz FUOYUKTVEJQSBK-CABCVRRESA-N 1 0 257.337 2.048 10 0 CEAERO COc1ccccc1CN(C)C(=O)CC[C@@H](C)CC[NH3+] ZINC000079118935 177436644 /nfs/dbraw/zinc/43/66/44/177436644.db2.gz UXXKXZBTYRRSRP-CYBMUJFWSA-N 1 0 278.396 2.419 10 0 CEAERO CC[C@@H](CC[NH3+])CCc1nnc2nc(C)cc(C)n12 ZINC000079200124 177443775 /nfs/dbraw/zinc/44/37/75/177443775.db2.gz GFFPSPSASGMCEL-GFCCVEGCSA-N 1 0 261.373 2.049 10 0 CEAERO CC[C@@H](CC[NH3+])CCC(=O)NCCc1ccco1 ZINC000079207893 177445909 /nfs/dbraw/zinc/44/59/09/177445909.db2.gz XCEWVBJKWJZCES-GFCCVEGCSA-N 1 0 252.358 2.094 10 0 CEAERO CC[C@@H](CC[NH3+])CCC(=O)Nc1ccc(C(=O)NC)cc1 ZINC000079208681 177446635 /nfs/dbraw/zinc/44/66/35/177446635.db2.gz OJTVFBSFMDLNCN-GFCCVEGCSA-N 1 0 291.395 2.140 10 0 CEAERO CC[C@H](CC[NH3+])CCC(=O)NCCOc1ccccc1 ZINC000079212616 177447924 /nfs/dbraw/zinc/44/79/24/177447924.db2.gz JUVWTDSBHVAILX-AWEZNQCLSA-N 1 0 278.396 2.337 10 0 CEAERO CCC[C@H](CC[NH3+])CCC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000079234665 177452392 /nfs/dbraw/zinc/45/23/92/177452392.db2.gz ILLBSODROSWZQD-MJBXVCDLSA-N 1 0 270.417 2.168 10 0 CEAERO CCC[C@@H](CC[NH3+])CCC(=O)NCc1ccccn1 ZINC000079235371 177452856 /nfs/dbraw/zinc/45/28/56/177452856.db2.gz MEHVYHOPYUTREV-CYBMUJFWSA-N 1 0 263.385 2.243 10 0 CEAERO CC(C)[C@@H](CC[NH3+])CCC(=O)Nc1nccs1 ZINC000079253887 177458938 /nfs/dbraw/zinc/45/89/38/177458938.db2.gz ZNKULYGASHAVFV-SNVBAGLBSA-N 1 0 255.387 2.483 10 0 CEAERO CC(C)(C)[C@H]1CCC(=O)N(C[C@H]2CCC[NH2+]2)CC1 ZINC000079282979 177462779 /nfs/dbraw/zinc/46/27/79/177462779.db2.gz PFYFSCDBQVHWRO-QWHCGFSZSA-N 1 0 252.402 2.413 10 0 CEAERO C[C@@H](c1cccs1)N(C)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079518064 177513207 /nfs/dbraw/zinc/51/32/07/177513207.db2.gz CDKSKCPOIPKYMP-GXFFZTMASA-N 1 0 252.383 2.410 10 0 CEAERO COCc1ccccc1NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+] ZINC000079526447 177516291 /nfs/dbraw/zinc/51/62/91/177516291.db2.gz GBIGGQNIDGLHEL-BVIHXZOGSA-N 1 0 274.364 2.145 10 0 CEAERO CC[C@]([NH3+])(COC)c1ccc2c(c1)OCCCO2 ZINC000079709200 177541041 /nfs/dbraw/zinc/54/10/41/177541041.db2.gz AYZIPQSPWRAEHU-AWEZNQCLSA-N 1 0 251.326 2.058 10 0 CEAERO CCC[C@H](NC(=O)Nc1ccccc1F)C(N)=[NH2+] ZINC000079779860 177557446 /nfs/dbraw/zinc/55/74/46/177557446.db2.gz CEXXTWZWTQGUEV-JTQLQIEISA-N 1 0 252.293 2.052 10 0 CEAERO Cc1cccc(NC(=O)N[C@@H]2CCC[C@@H]2C(N)=[NH2+])c1 ZINC000079781069 177558154 /nfs/dbraw/zinc/55/81/54/177558154.db2.gz YBIWZCGQISWHPS-NWDGAFQWSA-N 1 0 260.341 2.221 10 0 CEAERO Cc1cccc(NC(=O)N2CCC[C@@H](C(N)=[NH2+])C2)c1 ZINC000079838967 177567864 /nfs/dbraw/zinc/56/78/64/177567864.db2.gz LUSITORLKOFXHH-LLVKDONJSA-N 1 0 260.341 2.175 10 0 CEAERO COc1ccc(C[C@](C)(O)C[NH2+]C(C)(C)C)cc1OC ZINC000080185012 177620196 /nfs/dbraw/zinc/62/01/96/177620196.db2.gz BWSHYRSSVYPCKL-INIZCTEOSA-N 1 0 281.396 2.385 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000136347770 419443052 /nfs/dbraw/zinc/44/30/52/419443052.db2.gz YJCIOTODUIDPMJ-GMDIISMXSA-N 1 0 264.413 2.301 10 0 CEAERO CCN(CC)c1ccc(NC(=O)C[C@H]([NH3+])C(C)C)cn1 ZINC000136340904 419443540 /nfs/dbraw/zinc/44/35/40/419443540.db2.gz GMCHJIYWXZFQRD-ZDUSSCGKSA-N 1 0 278.400 2.240 10 0 CEAERO Cc1csc([C@@H](C)NC(=O)C[C@@H]([NH3+])C(C)C)n1 ZINC000136471469 419447830 /nfs/dbraw/zinc/44/78/30/419447830.db2.gz HLEMRWZUGSAWFD-NXEZZACHSA-N 1 0 255.387 2.002 10 0 CEAERO COc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000201295971 419457620 /nfs/dbraw/zinc/45/76/20/419457620.db2.gz UNEWUCBXXPTNCW-UHFFFAOYSA-N 1 0 285.185 2.210 10 0 CEAERO Cc1cc(C[NH2+][C@@H](C)COCc2ccccc2)n(C)n1 ZINC000390586622 262223572 /nfs/dbraw/zinc/22/35/72/262223572.db2.gz NPLCBQGVGBIPLR-AWEZNQCLSA-N 1 0 273.380 2.423 10 0 CEAERO C[C@@H](COCc1ccccc1)NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000390728020 262247298 /nfs/dbraw/zinc/24/72/98/262247298.db2.gz SXJMFUVSIORVMF-YCPHGPKFSA-N 1 0 290.407 2.096 10 0 CEAERO CCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000035018761 270224900 /nfs/dbraw/zinc/22/49/00/270224900.db2.gz HVLUWUKJBFDBBJ-RYUDHWBXSA-N 1 0 292.379 2.023 10 0 CEAERO CC[C@H]([NH2+]CCO)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000188648256 270257451 /nfs/dbraw/zinc/25/74/51/270257451.db2.gz ZVCPBNYBWWUBIF-QWHCGFSZSA-N 1 0 286.416 2.137 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(OC)c(F)c2)C1 ZINC000194343491 270297703 /nfs/dbraw/zinc/29/77/03/270297703.db2.gz JSTATUMQSZXILN-LBPRGKRZSA-N 1 0 295.358 2.440 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)CCc2ccccc2OC)C1 ZINC000194625966 270301658 /nfs/dbraw/zinc/30/16/58/270301658.db2.gz NWHXIQBDJKXKPH-HNNXBMFYSA-N 1 0 290.407 2.228 10 0 CEAERO COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CCc2ncnn2C1 ZINC000194921797 270304741 /nfs/dbraw/zinc/30/47/41/270304741.db2.gz NEWRQXXGIROJJU-WFASDCNBSA-N 1 0 298.390 2.269 10 0 CEAERO CCCCN(CCCC)C(=O)C[N@@H+]1CCC[C@@H](O)[C@H]1C ZINC000395159868 270345420 /nfs/dbraw/zinc/34/54/20/270345420.db2.gz MZSVWKUOLCIUHI-HUUCEWRRSA-N 1 0 284.444 2.260 10 0 CEAERO CC[C@@](C)(O)C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000396483225 270349728 /nfs/dbraw/zinc/34/97/28/270349728.db2.gz MXRJQVLRLUUPLC-DOTOQJQBSA-N 1 0 276.424 2.354 10 0 CEAERO CO[C@H](C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1)c1ccccc1 ZINC000398761243 270363338 /nfs/dbraw/zinc/36/33/38/270363338.db2.gz CBCJGHGJJVUHEJ-MWDXBVQZSA-N 1 0 275.392 2.467 10 0 CEAERO CC1(C)CN(c2ccc(Br)cn2)CC[C@@H]1[NH3+] ZINC000261583515 273584817 /nfs/dbraw/zinc/58/48/17/273584817.db2.gz PBCUSVTYIFKJIH-JTQLQIEISA-N 1 0 284.201 2.408 10 0 CEAERO C[C@@H](C(=O)N1CC2(CCC2)c2c1cccc2F)C1C[NH2+]C1 ZINC000262567904 274192042 /nfs/dbraw/zinc/19/20/42/274192042.db2.gz SACRUUGPJDOKBE-LLVKDONJSA-N 1 0 288.366 2.450 10 0 CEAERO C[C@@H]1CC[NH2+][C@H](C(=O)N[C@H]2CCc3ccccc32)C1 ZINC000253157956 274308976 /nfs/dbraw/zinc/30/89/76/274308976.db2.gz QMQFIGPDNLDNSU-UGFHNGPFSA-N 1 0 258.365 2.178 10 0 CEAERO C[C@@H]1CC[C@@H]([NH2+]CC2(O)CCCCC2)[C@H](n2cncn2)C1 ZINC000328887823 274312848 /nfs/dbraw/zinc/31/28/48/274312848.db2.gz OXRZJNQXTSSZCN-RBSFLKMASA-N 1 0 292.427 2.293 10 0 CEAERO Cc1cc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)ncc1Br ZINC000261547678 274711782 /nfs/dbraw/zinc/71/17/82/274711782.db2.gz IMHSRBSSPKOCOQ-ZYHUDNBSSA-N 1 0 296.212 2.341 10 0 CEAERO Cc1cnn(CC[NH2+][C@@H](C)C(=O)Nc2ccccc2C)c1 ZINC000105881038 274830197 /nfs/dbraw/zinc/83/01/97/274830197.db2.gz QPAJFSLCBBTBEG-AWEZNQCLSA-N 1 0 286.379 2.117 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]2CN(c3ncnc4ccsc43)C[C@@H]21 ZINC000230133657 274957612 /nfs/dbraw/zinc/95/76/12/274957612.db2.gz ZPZQTYZPXOSUKF-OUAUKWLOSA-N 1 0 274.393 2.255 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]2CN(c3ncnc4ccsc43)C[C@@H]21 ZINC000230133663 274958405 /nfs/dbraw/zinc/95/84/05/274958405.db2.gz ZPZQTYZPXOSUKF-GARJFASQSA-N 1 0 274.393 2.255 10 0 CEAERO Brc1cccnc1N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261586281 275375489 /nfs/dbraw/zinc/37/54/89/275375489.db2.gz QYUCSGNWUGYMLJ-GXSJLCMTSA-N 1 0 282.185 2.032 10 0 CEAERO CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H]1CCCC[C@H]1O ZINC000311975101 275701967 /nfs/dbraw/zinc/70/19/67/275701967.db2.gz RPZFSZFGLQFRFZ-QLFBSQMISA-N 1 0 265.401 2.048 10 0 CEAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1ncnn1C ZINC000178157550 275994517 /nfs/dbraw/zinc/99/45/17/275994517.db2.gz ZTIBYTZXVYZIGD-FRRDWIJNSA-N 1 0 250.390 2.366 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccnn2C(C)(C)C)C1 ZINC000190531260 276178154 /nfs/dbraw/zinc/17/81/54/276178154.db2.gz PQURSAGXENSTJO-LBPRGKRZSA-N 1 0 293.415 2.244 10 0 CEAERO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@H]1CCOC1 ZINC000090036898 276712225 /nfs/dbraw/zinc/71/22/25/276712225.db2.gz QEXYQKHYPHXWEF-NEPJUHHUSA-N 1 0 259.353 2.496 10 0 CEAERO C[NH+](C)C[C@H]1CN(c2ccc3ccccc3n2)CCO1 ZINC000264518711 276807652 /nfs/dbraw/zinc/80/76/52/276807652.db2.gz QDWJHVVTPAXUPH-AWEZNQCLSA-N 1 0 271.364 2.002 10 0 CEAERO CC(=O)Nc1ccc(CN2CC[C@H](C)C[C@H]2C[NH3+])cc1 ZINC000261632419 277074406 /nfs/dbraw/zinc/07/44/06/277074406.db2.gz DGJYYIMAYSUUPB-LRDDRELGSA-N 1 0 275.396 2.204 10 0 CEAERO C[NH2+]C[C@@H]1CCN(c2ccc(Br)c(C)n2)C1 ZINC000234411528 277280070 /nfs/dbraw/zinc/28/00/70/277280070.db2.gz ROBMGIUGXBIAMY-JTQLQIEISA-N 1 0 284.201 2.198 10 0 CEAERO CC(C)(O)C[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000266580095 277317261 /nfs/dbraw/zinc/31/72/61/277317261.db2.gz HMYATZBNBCMINS-OAHLLOKOSA-N 1 0 263.381 2.296 10 0 CEAERO CC(C)C1CCN(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1 ZINC000334938277 277341717 /nfs/dbraw/zinc/34/17/17/277341717.db2.gz BDEKMUZMWGOXDJ-CZUORRHYSA-N 1 0 281.444 2.391 10 0 CEAERO CC(C)COCCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085630814 277424125 /nfs/dbraw/zinc/42/41/25/277424125.db2.gz GYDOXVDNWJZBFI-IHRRRGAJSA-N 1 0 255.402 2.452 10 0 CEAERO C[C@@H]1CCCN(c2ncccc2Br)[C@@H]1C[NH3+] ZINC000069727439 277698984 /nfs/dbraw/zinc/69/89/84/277698984.db2.gz VRUQBPJFLDORSH-MWLCHTKSSA-N 1 0 284.201 2.408 10 0 CEAERO CC(C)[C@@H](CNC(=O)[C@@H]1CC[C@H](C)O1)[NH+]1CCC(C)CC1 ZINC000130892249 277742173 /nfs/dbraw/zinc/74/21/73/277742173.db2.gz DIGUVJFUOSLEGM-XHSDSOJGSA-N 1 0 296.455 2.427 10 0 CEAERO CC(C)[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000251367911 277777427 /nfs/dbraw/zinc/77/74/27/277777427.db2.gz WOXKKAMBUHKYBI-CRWXNKLISA-N 1 0 252.402 2.445 10 0 CEAERO CC(C)c1ccc(S(=O)(=O)N[C@@](C)(C[NH3+])C2CC2)cc1 ZINC000133739647 278043848 /nfs/dbraw/zinc/04/38/48/278043848.db2.gz LUKWMQXJFLGYBP-HNNXBMFYSA-N 1 0 296.436 2.216 10 0 CEAERO C[C@@H](C(=O)N1CC[C@H](C)c2ccccc21)C1C[NH2+]C1 ZINC000261580481 278196401 /nfs/dbraw/zinc/19/64/01/278196401.db2.gz FKDIBXKKSNGVSL-NWDGAFQWSA-N 1 0 258.365 2.382 10 0 CEAERO CC1(C)CC[C@H](NC(=O)C2C[NH2+]C2)c2ccccc21 ZINC000263240688 278280307 /nfs/dbraw/zinc/28/03/07/278280307.db2.gz CFMXPLKOIJNSEZ-AWEZNQCLSA-N 1 0 258.365 2.135 10 0 CEAERO C[C@@H]([NH3+])CC(=O)N1CCc2cc(Br)ccc21 ZINC000261897329 278305356 /nfs/dbraw/zinc/30/53/56/278305356.db2.gz UOQOCBNXVMHXGN-MRVPVSSYSA-N 1 0 283.169 2.076 10 0 CEAERO CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)C1CC[NH2+]CC1 ZINC000058040516 278377715 /nfs/dbraw/zinc/37/77/15/278377715.db2.gz OPBQFEKVHILSDN-ZDUSSCGKSA-N 1 0 284.400 2.155 10 0 CEAERO CC(C)(C)OC(=O)N(C[C@H]1CCC[NH2+]1)C(F)(F)F ZINC000095082904 278377775 /nfs/dbraw/zinc/37/77/75/278377775.db2.gz CFIIQNOBBQEATG-MRVPVSSYSA-N 1 0 268.279 2.495 10 0 CEAERO CC(C)(C)OC(=O)N([C@@H]1CC[NH2+]C1)C(F)(F)F ZINC000095082896 278378032 /nfs/dbraw/zinc/37/80/32/278378032.db2.gz WKYQXYCLSGSWCJ-SSDOTTSWSA-N 1 0 254.252 2.105 10 0 CEAERO C[C@@H]([NH2+][C@H]1CCc2c1cccc2O)C(=O)NC(C)(C)C ZINC000228967537 278386780 /nfs/dbraw/zinc/38/67/80/278386780.db2.gz YYQCHTFQQBFGPN-MFKMUULPSA-N 1 0 276.380 2.272 10 0 CEAERO C[C@H]1CN(C(=O)c2cccc(C(F)(F)F)c2F)C[C@H]1[NH3+] ZINC000235657180 278416042 /nfs/dbraw/zinc/41/60/42/278416042.db2.gz NZPYMGDQRFXKAP-OIBJUYFYSA-N 1 0 290.260 2.264 10 0 CEAERO C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])[C@@H](C)C1 ZINC000227374213 278608275 /nfs/dbraw/zinc/60/82/75/278608275.db2.gz ZREZKUZAFRVKDM-ITGHMWBKSA-N 1 0 252.402 2.302 10 0 CEAERO CCC[C@H](C(=O)N(C)CCc1ncc(C)s1)[NH+](C)C ZINC000124342655 278917766 /nfs/dbraw/zinc/91/77/66/278917766.db2.gz OIKLLJLYXVEBKY-GFCCVEGCSA-N 1 0 283.441 2.183 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCSC(C)(C)C2)C1 ZINC000175706917 279294670 /nfs/dbraw/zinc/29/46/70/279294670.db2.gz QQMZWWLUHGYOMV-GFCCVEGCSA-N 1 0 285.457 2.008 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC1(CC)CC1 ZINC000176601545 279324971 /nfs/dbraw/zinc/32/49/71/279324971.db2.gz VIIQYIVFPARJHT-ZDUSSCGKSA-N 1 0 267.417 2.302 10 0 CEAERO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000087955051 279488191 /nfs/dbraw/zinc/48/81/91/279488191.db2.gz CUDZOFIZBJJJNX-NEPJUHHUSA-N 1 0 291.395 2.134 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)N(CC1CC1)CC1CC1 ZINC000070505405 279660449 /nfs/dbraw/zinc/66/04/49/279660449.db2.gz JIUXTMBVBMQCAH-AWEZNQCLSA-N 1 0 250.386 2.025 10 0 CEAERO CN(c1ncnc2ccsc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000103994534 279721114 /nfs/dbraw/zinc/72/11/14/279721114.db2.gz LWULXJZUGNTZGU-ZACCUICWSA-N 1 0 274.393 2.411 10 0 CEAERO C[C@H]1CCN(c2nc3ccccc3n2C)[C@@H](C[NH3+])C1 ZINC000235690577 279730709 /nfs/dbraw/zinc/73/07/09/279730709.db2.gz NLFWFLNZJJFGDM-NWDGAFQWSA-N 1 0 258.369 2.137 10 0 CEAERO CC[C@](C)(O)C[NH+]1CCN(c2nc(C)c(C)s2)CC1 ZINC000123693640 279794941 /nfs/dbraw/zinc/79/49/41/279794941.db2.gz BFOGAVPOQQCUSU-AWEZNQCLSA-N 1 0 283.441 2.043 10 0 CEAERO C[C@H]1CN(Cc2cnn(-c3ccc(Cl)cc3)c2)C[C@H]1[NH3+] ZINC000262125380 279872810 /nfs/dbraw/zinc/87/28/10/279872810.db2.gz XRAGPPSDRVZHFK-XHDPSFHLSA-N 1 0 290.798 2.305 10 0 CEAERO CCOC[C@H](C)[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000128699513 279893800 /nfs/dbraw/zinc/89/38/00/279893800.db2.gz YJIJUUBJNHHFJB-ZFWWWQNUSA-N 1 0 250.386 2.304 10 0 CEAERO CC(C)[C@@H]1CN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CCS1 ZINC000162563252 280006449 /nfs/dbraw/zinc/00/64/49/280006449.db2.gz KGALBULMWHADQU-AVGNSLFASA-N 1 0 270.442 2.104 10 0 CEAERO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000249299838 280028043 /nfs/dbraw/zinc/02/80/43/280028043.db2.gz NUVIYVJGJUSBAX-XDQVBPFNSA-N 1 0 252.402 2.123 10 0 CEAERO CCS(=O)(=O)c1ccc(N2CCC[C@H](C)[C@@H]2C[NH3+])cc1 ZINC000070178447 280031041 /nfs/dbraw/zinc/03/10/41/280031041.db2.gz HGLDRNQJRSAEES-WFASDCNBSA-N 1 0 296.436 2.044 10 0 CEAERO Cc1cc(CN2CCCNC(=O)[C@@H]2C)ccc1Cl ZINC000189093758 280142596 /nfs/dbraw/zinc/14/25/96/280142596.db2.gz MBHFFQJRKDXAPS-NSHDSACASA-N 1 0 266.772 2.359 10 0 CEAERO C[C@H](CC[NH2+][C@H]1CCOC[C@H]1C)NC(=O)OC(C)(C)C ZINC000192554915 280182258 /nfs/dbraw/zinc/18/22/58/280182258.db2.gz PNUUILJKRHSCBY-UPJWGTAASA-N 1 0 286.416 2.304 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1C[C@H](C)OC(C)(C)C1 ZINC000194683159 280192569 /nfs/dbraw/zinc/19/25/69/280192569.db2.gz RXSLCDKRMNABKG-UONOGXRCSA-N 1 0 299.459 2.172 10 0 CEAERO Cc1ccc(OC[C@H](O)C[N@@H+]2CCS[C@@H](C)C2)cc1 ZINC000246151593 280276864 /nfs/dbraw/zinc/27/68/64/280276864.db2.gz PJFJYYSAUTVKNF-UONOGXRCSA-N 1 0 281.421 2.172 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H](C)CSC ZINC000246517812 280298197 /nfs/dbraw/zinc/29/81/97/280298197.db2.gz XHTYVPCZPSTVMA-JHJVBQTASA-N 1 0 285.457 2.006 10 0 CEAERO C(c1nc(C2CCCC2)no1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246841309 280311454 /nfs/dbraw/zinc/31/14/54/280311454.db2.gz VEFAOUTZGGWKNR-AWEZNQCLSA-N 1 0 290.411 2.397 10 0 CEAERO CCOC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000248160524 280343131 /nfs/dbraw/zinc/34/31/31/280343131.db2.gz RZRYFAQMVPBXOG-LJISPDSOSA-N 1 0 257.418 2.434 10 0 CEAERO CCO[C@@H]1C[C@](CO)([NH2+][C@H](C)C2CCC2)C1(C)C ZINC000248643705 280356835 /nfs/dbraw/zinc/35/68/35/280356835.db2.gz DWXBBPTVQAIYBX-UXIGCNINSA-N 1 0 255.402 2.331 10 0 CEAERO CCN(CCO)CC[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000248992139 280378262 /nfs/dbraw/zinc/37/82/62/280378262.db2.gz 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[NH3+]C[C@@H]1c2ccccc2CCN1c1ncccc1F ZINC000227724280 295260876 /nfs/dbraw/zinc/26/08/76/295260876.db2.gz HOXMLHLMYRKCSK-CQSZACIVSA-N 1 0 257.312 2.283 10 0 CEAERO [NH3+]C[C@H]1CCCCN1c1cccc(Br)n1 ZINC000095072409 295266047 /nfs/dbraw/zinc/26/60/47/295266047.db2.gz ZCHMRNLQHQXQLJ-SECBINFHSA-N 1 0 270.174 2.162 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NC1(c2ccc(F)cc2)CC1 ZINC000261779233 295271953 /nfs/dbraw/zinc/27/19/53/295271953.db2.gz PCCQIYMGDMLVEX-BXUZGUMPSA-N 1 0 276.355 2.306 10 0 CEAERO [NH3+][C@H](CNC(=O)[C@H]1CCCO[C@H]1c1ccccc1)C1CC1 ZINC000252682424 295331985 /nfs/dbraw/zinc/33/19/85/295331985.db2.gz BYWRGSDCPDXDPR-XHSDSOJGSA-N 1 0 288.391 2.008 10 0 CEAERO COc1ccccc1[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000282290734 295399910 /nfs/dbraw/zinc/39/99/10/295399910.db2.gz LRJWBJJUAQPUOA-DMDPSCGWSA-N 1 0 262.353 2.013 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000223900126 297111790 /nfs/dbraw/zinc/11/17/90/297111790.db2.gz KCUVLKDFBPUNAC-GWOFURMSSA-N 1 0 278.318 2.079 10 0 CEAERO CCC[C@H](C(=O)NCCCNc1ccccc1)[NH+](C)C ZINC000162077128 297449560 /nfs/dbraw/zinc/44/95/60/297449560.db2.gz NTWIUKPFYLNBNQ-OAHLLOKOSA-N 1 0 277.412 2.335 10 0 CEAERO C[C@@H](CCNC(=[NH2+])NC1CCCC1)NC(=O)OC(C)(C)C ZINC000171042847 297473357 /nfs/dbraw/zinc/47/33/57/297473357.db2.gz UFNWVSXXAXVZKC-NSHDSACASA-N 1 0 298.431 2.346 10 0 CEAERO C[C@@H](C[NH3+])COc1ccc(I)cc1 ZINC000070065039 524583106 /nfs/dbraw/zinc/58/31/06/524583106.db2.gz TXRJJWGULOAXCU-QMMMGPOBSA-N 1 0 291.132 2.265 10 0 CEAERO [NH3+][C@@H]1CC[C@H]2CN(Cc3cccnc3C(F)(F)F)C[C@@H]12 ZINC000530219773 298055116 /nfs/dbraw/zinc/05/51/16/298055116.db2.gz QOPXXDVUHTVEJX-MVWJERBFSA-N 1 0 285.313 2.270 10 0 CEAERO CCCCOC[C@@H](O)C[NH2+]Cc1nc(C)c(C)s1 ZINC000564078128 298816510 /nfs/dbraw/zinc/81/65/10/298816510.db2.gz PLZIJECJGFAFIT-LBPRGKRZSA-N 1 0 272.414 2.027 10 0 CEAERO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NC1CCC([NH3+])CC1 ZINC000237632615 302161817 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COc1ccccc1NC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000399531751 326807413 /nfs/dbraw/zinc/80/74/13/326807413.db2.gz VGMMKTCWCFVTHC-MFKMUULPSA-N 1 0 250.342 2.253 10 0 CEAERO O=C1[C@@H]2C[N@H+](CC3CC3)C[C@@H]2CN1c1ccsc1 ZINC000253616362 333185943 /nfs/dbraw/zinc/18/59/43/333185943.db2.gz MMKJKQIPWGEDDE-DGCLKSJQSA-N 1 0 262.378 2.053 10 0 CEAERO CC(C)N(CC(F)(F)F)[C@@H](C)C[NH2+]C[C@@H]1CCCO1 ZINC000053494443 519638067 /nfs/dbraw/zinc/63/80/67/519638067.db2.gz CVKXBRCTQDBVHV-RYUDHWBXSA-N 1 0 282.350 2.416 10 0 CEAERO CC(C)N(Cc1ccc[nH+]c1NN)CC(F)(F)F ZINC000052718899 519659133 /nfs/dbraw/zinc/65/91/33/519659133.db2.gz LIOZOJUPXANXSZ-UHFFFAOYSA-N 1 0 262.279 2.140 10 0 CEAERO CC(C)[NH2+]Cc1occc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000052380445 519730075 /nfs/dbraw/zinc/73/00/75/519730075.db2.gz ZMIYKQJRECNBCZ-BETUJISGSA-N 1 0 266.385 2.387 10 0 CEAERO CC(C)C[NH2+]C[C@@H](C(C)C)N(C)C[C@@H]1CCCO1 ZINC000052540787 519744415 /nfs/dbraw/zinc/74/44/15/519744415.db2.gz MTWLTGQGDOUJMH-GJZGRUSLSA-N 1 0 256.434 2.367 10 0 CEAERO CC(C)C[NH2+]CC[C@H](C)N1CCN(c2nccs2)CC1 ZINC000052417728 519744649 /nfs/dbraw/zinc/74/46/49/519744649.db2.gz JBSRWFGLNMQDKU-AWEZNQCLSA-N 1 0 296.484 2.289 10 0 CEAERO CC(C)C[NH2+]C[C@@]1(CCS(C)(=O)=O)C[C@H]2CC[C@@H]1C2 ZINC000054639255 519745713 /nfs/dbraw/zinc/74/57/13/519745713.db2.gz CPDQVNCKSXHQSQ-RRFJBIMHSA-N 1 0 287.469 2.473 10 0 CEAERO CC(C)[C@@H]1CCC(=O)[C@H](C[NH+]2CCC(O)CC2)C1 ZINC000054558828 519801867 /nfs/dbraw/zinc/80/18/67/519801867.db2.gz XWVBRSCMCZDRCT-OLZOCXBDSA-N 1 0 253.386 2.085 10 0 CEAERO CCCn1nccc1[C@@H]([NH3+])Cc1nc(C)cs1 ZINC000069472213 519891916 /nfs/dbraw/zinc/89/19/16/519891916.db2.gz OKUWPARXFLFULQ-JTQLQIEISA-N 1 0 250.371 2.301 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N1CCc2sccc2C1 ZINC000061278570 519904458 /nfs/dbraw/zinc/90/44/58/519904458.db2.gz PPFSUSXPDVRVKX-UHFFFAOYSA-N 1 0 252.383 2.021 10 0 CEAERO CC[NH2+]CCc1nnc(-c2ccc(OCC)cc2)o1 ZINC000050619720 519930432 /nfs/dbraw/zinc/93/04/32/519930432.db2.gz YMSOVOCRNYPJCL-UHFFFAOYSA-N 1 0 261.325 2.287 10 0 CEAERO CCC[NH2+]Cc1ccc(OCCC(=O)NC(C)C)cc1 ZINC000054047730 519952671 /nfs/dbraw/zinc/95/26/71/519952671.db2.gz WMHRPAATRNDMRM-UHFFFAOYSA-N 1 0 278.396 2.480 10 0 CEAERO CCC[NH2+]Cc1occc1COC[C@H]1CCCO1 ZINC000052626002 519973191 /nfs/dbraw/zinc/97/31/91/519973191.db2.gz KPSWMTDPAXZBSD-CYBMUJFWSA-N 1 0 253.342 2.475 10 0 CEAERO CC[NH2+]Cc1nc(COCC(F)(F)F)cs1 ZINC000052601390 520021872 /nfs/dbraw/zinc/02/18/72/520021872.db2.gz RRWXYWSKHWRRHS-UHFFFAOYSA-N 1 0 254.277 2.332 10 0 CEAERO CCCN[C@@](C)(C[C@@H](C)[N@H+](CC)C1CCCC1)C(N)=O ZINC000068624543 520041766 /nfs/dbraw/zinc/04/17/66/520041766.db2.gz RXYYVUZMNDMGHK-CJNGLKHVSA-N 1 0 283.460 2.273 10 0 CEAERO CCCN[C@@](C)(C[C@H](C)[N@H+](CCC)CC1CC1)C(N)=O ZINC000068632045 520044048 /nfs/dbraw/zinc/04/40/48/520044048.db2.gz MCDVQEYQKPSSLU-BBRMVZONSA-N 1 0 283.460 2.131 10 0 CEAERO CCC[NH2+][C@@](C)(C[C@H](C)Oc1ccc(C)cc1)C(N)=O ZINC000068653555 520046153 /nfs/dbraw/zinc/04/61/53/520046153.db2.gz FCVHHJJSERNOLA-BBRMVZONSA-N 1 0 278.396 2.396 10 0 CEAERO CCC[NH2+][C@H](C)[C@@H](C)S(=O)(=O)c1ccccc1 ZINC000061702909 520063240 /nfs/dbraw/zinc/06/32/40/520063240.db2.gz BHIXTRWZTBIFJG-VXGBXAGGSA-N 1 0 255.383 2.237 10 0 CEAERO CC[NH2+][C@@H](CC)c1ccc(O[C@@H](CC)C(N)=O)cc1 ZINC000061675870 520083486 /nfs/dbraw/zinc/08/34/86/520083486.db2.gz UODIHLQYSNFRTA-KBPBESRZSA-N 1 0 264.369 2.390 10 0 CEAERO CCCCCCOC[C@]([NH2+]C(C)C)(C(N)=O)C1CC1 ZINC000069195233 520100893 /nfs/dbraw/zinc/10/08/93/520100893.db2.gz SHTCQWNBBRDMGP-OAHLLOKOSA-N 1 0 270.417 2.215 10 0 CEAERO CC[NH2+][C@@H](Cc1ccc(OC)cc1)c1nccn1C ZINC000069473622 520103818 /nfs/dbraw/zinc/10/38/18/520103818.db2.gz WAVJDFKUFUAUPM-AWEZNQCLSA-N 1 0 259.353 2.322 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N[C@@H](C)c1ccccc1OC ZINC000061273847 520166728 /nfs/dbraw/zinc/16/67/28/520166728.db2.gz GXVXOGFHNQTKCN-NEPJUHHUSA-N 1 0 264.369 2.261 10 0 CEAERO CC[NH2+][C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1=O ZINC000061626943 520216301 /nfs/dbraw/zinc/21/63/01/520216301.db2.gz MSRQRHIORVGIPD-LBPRGKRZSA-N 1 0 286.297 2.416 10 0 CEAERO CCNc1ccc(C[N@H+](C)[C@H]2CCSC2)cn1 ZINC000050813305 520299882 /nfs/dbraw/zinc/29/98/82/520299882.db2.gz SJKXGQXRBBUYMF-LBPRGKRZSA-N 1 0 251.399 2.451 10 0 CEAERO CCCC[N@H+](CC[C@@H](NC)C(=O)OC)[C@@H](C)CC ZINC000062527661 520538535 /nfs/dbraw/zinc/53/85/35/520538535.db2.gz JBDMGGTXJPAIIN-QWHCGFSZSA-N 1 0 258.406 2.038 10 0 CEAERO CC[N@H+](CC1CC1)[C@H](C)C(=O)Nc1cccc(N)c1 ZINC000069236858 520967638 /nfs/dbraw/zinc/96/76/38/520967638.db2.gz ZSIXXLDLAYVKIC-LLVKDONJSA-N 1 0 261.369 2.328 10 0 CEAERO CCN(CCOC)Cc1csc(C[NH2+]C(C)(C)C)n1 ZINC000052542604 521137304 /nfs/dbraw/zinc/13/73/04/521137304.db2.gz YVIIAUPTNIOCET-UHFFFAOYSA-N 1 0 285.457 2.500 10 0 CEAERO CCOC(=O)[C@](C)(CC[N@H+](CC)CC1CC1)NC1CC1 ZINC000069239507 521319236 /nfs/dbraw/zinc/31/92/36/521319236.db2.gz WHZJAYAWXWKSNV-INIZCTEOSA-N 1 0 282.428 2.182 10 0 CEAERO CCOC(=O)[C@](C[N@H+](C)C1CCCCC1)(NC)C1CC1 ZINC000069095845 521337977 /nfs/dbraw/zinc/33/79/77/521337977.db2.gz HFAHPJTVSFBGSX-MRXNPFEDSA-N 1 0 282.428 2.182 10 0 CEAERO CCN(c1nc(C)c(C[NH2+]CCOC)s1)C1CC1 ZINC000054996879 521503185 /nfs/dbraw/zinc/50/31/85/521503185.db2.gz OVDICACRUPMPTO-UHFFFAOYSA-N 1 0 269.414 2.176 10 0 CEAERO CC[NH+]1CCC(O)(c2cc(OC)ccc2OC)CC1 ZINC000055234370 521583591 /nfs/dbraw/zinc/58/35/91/521583591.db2.gz DUKLHCQGWJFRDG-UHFFFAOYSA-N 1 0 265.353 2.007 10 0 CEAERO CCCN(CC(F)(F)F)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000055089565 521586344 /nfs/dbraw/zinc/58/63/44/521586344.db2.gz RGEIOHGMZHWSEC-VHSXEESVSA-N 1 0 266.307 2.305 10 0 CEAERO CCCn1c(S[C@@H](c2cccs2)[C@H](C)[NH3+])n[nH]c1=O ZINC000061594859 521635307 /nfs/dbraw/zinc/63/53/07/521635307.db2.gz GQHAAMTVIZIGKV-WCBMZHEXSA-N 1 0 298.437 2.224 10 0 CEAERO CCC[N@H+](CC[C@H](NC(C)C)C(=O)OC)C(C)C ZINC000062446769 521669848 /nfs/dbraw/zinc/66/98/48/521669848.db2.gz XSCAPMGJFJLMGU-ZDUSSCGKSA-N 1 0 258.406 2.037 10 0 CEAERO COCC[C@@H]([NH3+])Cc1ccc(OC)c(Br)c1 ZINC000049599994 521830364 /nfs/dbraw/zinc/83/03/64/521830364.db2.gz 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264.398 2.456 10 0 CEAERO CC(C)OC[C@@H](O)COc1ccc(C[NH2+]C2CC2)cc1 ZINC000070099314 519772132 /nfs/dbraw/zinc/77/21/32/519772132.db2.gz UXWWVVNIXCYEHF-OAHLLOKOSA-N 1 0 279.380 2.103 10 0 CEAERO CC(C)C[C@@H](CN(C)C)[NH2+]CC(=O)Nc1ccc(F)cc1 ZINC000049555992 519775777 /nfs/dbraw/zinc/77/57/77/519775777.db2.gz ZNCJYKPJYUXPGU-HNNXBMFYSA-N 1 0 295.402 2.330 10 0 CEAERO CC(C)Oc1cccc(C(=O)N(C)C[C@H](C)C[NH3+])c1 ZINC000061665817 519782250 /nfs/dbraw/zinc/78/22/50/519782250.db2.gz WKYLQBJKHMYLHQ-GFCCVEGCSA-N 1 0 264.369 2.141 10 0 CEAERO CC(C)Oc1nc(Cl)nc(N[C@@H](C)CC[NH+](C)C)n1 ZINC000061539533 519785747 /nfs/dbraw/zinc/78/57/47/519785747.db2.gz QKOJPNMQHSWEEZ-VIFPVBQESA-N 1 0 287.795 2.064 10 0 CEAERO CC(C)Oc1nc(N[C@H](C)C[NH+]2CCCC2)ccc1N ZINC000049152315 519785878 /nfs/dbraw/zinc/78/58/78/519785878.db2.gz SDDIPECAIOEVPW-GFCCVEGCSA-N 1 0 278.400 2.347 10 0 CEAERO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cccc2c1CCCN2 ZINC000061412303 519793490 /nfs/dbraw/zinc/79/34/90/519793490.db2.gz GHSYIRXONMAFMI-MRXNPFEDSA-N 1 0 289.423 2.361 10 0 CEAERO CC(C)[C@@H](CN(C)C)[NH2+][C@H]1COc2cc(O)ccc21 ZINC000049196412 519793949 /nfs/dbraw/zinc/79/39/49/519793949.db2.gz ZDQJFKGXXUGEQB-KGLIPLIRSA-N 1 0 264.369 2.002 10 0 CEAERO CC(C)[C@@H]1CCC(=O)[C@@H](C[N@@H+]2CCC[C@H](O)C2)C1 ZINC000054559271 519801800 /nfs/dbraw/zinc/80/18/00/519801800.db2.gz ICPMCSDEJCFYAD-MCIONIFRSA-N 1 0 253.386 2.085 10 0 CEAERO CC(C)[C@@H]1CC[C@H](O)[C@H](C[N@@H+]2CCO[C@H](C)C2)C1 ZINC000054560820 519803412 /nfs/dbraw/zinc/80/34/12/519803412.db2.gz UMAVRZJHRXCNQE-KBXIAJHMSA-N 1 0 255.402 2.140 10 0 CEAERO CCC[NH+]1CCC(Nc2nccn(CC(C)C)c2=O)CC1 ZINC000061765396 519847816 /nfs/dbraw/zinc/84/78/16/519847816.db2.gz HYZJZCNWMFFXHO-UHFFFAOYSA-N 1 0 292.427 2.186 10 0 CEAERO CCCC1(C(=O)N(C)C[C@@H]2CCCCO2)CC[NH2+]CC1 ZINC000062849884 519887493 /nfs/dbraw/zinc/88/74/93/519887493.db2.gz OPYMOMBKPRYFID-AWEZNQCLSA-N 1 0 282.428 2.184 10 0 CEAERO CCNC(=O)c1ccc(NC(=O)C[C@H](C)[NH2+]CC)c(C)c1 ZINC000061271597 519893954 /nfs/dbraw/zinc/89/39/54/519893954.db2.gz PHJRCBZNWHZJKS-LBPRGKRZSA-N 1 0 291.395 2.071 10 0 CEAERO CCOCCC[NH2+]C[C@H](C)n1ccc(C(F)(F)F)n1 ZINC000053533663 519896759 /nfs/dbraw/zinc/89/67/59/519896759.db2.gz YUQDVGMSAZSHKP-JTQLQIEISA-N 1 0 279.306 2.479 10 0 CEAERO CCCC1CCC([NH2+]C[C@H](O)COc2cnsn2)CC1 ZINC000049545125 519898656 /nfs/dbraw/zinc/89/86/56/519898656.db2.gz YDLXXATYRZPVCW-BPCQOVAHSA-N 1 0 299.440 2.226 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N(C)Cc1sccc1C ZINC000061294690 519903312 /nfs/dbraw/zinc/90/33/12/519903312.db2.gz RGDJUIKRMCFVTD-UHFFFAOYSA-N 1 0 254.399 2.403 10 0 CEAERO CC(C)c1noc(COc2cccc(CC[NH3+])c2)n1 ZINC000049338578 519904928 /nfs/dbraw/zinc/90/49/28/519904928.db2.gz SCWNHDVLCFFAEI-UHFFFAOYSA-N 1 0 261.325 2.273 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000061298127 519905529 /nfs/dbraw/zinc/90/55/29/519905529.db2.gz UVAHZJJHPLSLDE-NSHDSACASA-N 1 0 294.395 2.269 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)NCc1ccccc1Br ZINC000061298970 519905664 /nfs/dbraw/zinc/90/56/64/519905664.db2.gz SVAWMCQYSFJICY-UHFFFAOYSA-N 1 0 299.212 2.453 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000061298912 519906433 /nfs/dbraw/zinc/90/64/33/519906433.db2.gz GHUBSYVRPJZRBL-UHFFFAOYSA-N 1 0 278.352 2.190 10 0 CEAERO CC[NH2+]CC1(CN(C)Cc2ccco2)CCOCC1 ZINC000052181553 519911746 /nfs/dbraw/zinc/91/17/46/519911746.db2.gz JONSQLLIBUOLLK-UHFFFAOYSA-N 1 0 266.385 2.118 10 0 CEAERO CCC[NH2+]CCCCOc1cccc(S(C)(=O)=O)c1 ZINC000052701352 519911792 /nfs/dbraw/zinc/91/17/92/519911792.db2.gz WMPORYUZSSFUCF-UHFFFAOYSA-N 1 0 285.409 2.249 10 0 CEAERO CC[NH2+]CCC(=O)Nc1ccc(/C=C/C(=O)OCC)cc1 ZINC000061298726 519917815 /nfs/dbraw/zinc/91/78/15/519917815.db2.gz UUJDCZKJVOLNCK-JXMROGBWSA-N 1 0 290.363 2.201 10 0 CEAERO CC[NH2+]CCCN1CCc2cc(OC)c(OC)cc2C1 ZINC000048784502 519918990 /nfs/dbraw/zinc/91/89/90/519918990.db2.gz KETMYSCIQYPWAB-UHFFFAOYSA-N 1 0 278.396 2.062 10 0 CEAERO CC[NH2+]CCCc1cnn(-c2ccccc2OC)c1 ZINC000062606349 519920889 /nfs/dbraw/zinc/92/08/89/519920889.db2.gz KCQLXTPEYDWFBU-UHFFFAOYSA-N 1 0 259.353 2.423 10 0 CEAERO CC(C)n1c(N)nnc1SCC[C@H]1CCCC[N@@H+]1C ZINC000062801305 519921118 /nfs/dbraw/zinc/92/11/18/519921118.db2.gz MZEUZSKRFRAWKZ-LLVKDONJSA-N 1 0 283.445 2.408 10 0 CEAERO CC(C)n1c(S[C@H](C[NH3+])c2cccc(F)c2)n[nH]c1=O ZINC000061595118 519923654 /nfs/dbraw/zinc/92/36/54/519923654.db2.gz SPDFKNKQVXUHFM-LLVKDONJSA-N 1 0 296.371 2.084 10 0 CEAERO CC[NH2+]CCc1c(C)nc(-c2cccnc2)nc1C ZINC000054838222 519928638 /nfs/dbraw/zinc/92/86/38/519928638.db2.gz URZFPHOZOCTFRR-UHFFFAOYSA-N 1 0 256.353 2.307 10 0 CEAERO CCC[NH2+]C[C@H](C)c1c(C)nc(N(C)C)nc1C ZINC000054854929 519931610 /nfs/dbraw/zinc/93/16/10/519931610.db2.gz GGOCGVRGBWZKHL-JTQLQIEISA-N 1 0 250.390 2.263 10 0 CEAERO CCC[NH2+]C[C@H](C)Oc1c(OC)cccc1OC ZINC000052650091 519931745 /nfs/dbraw/zinc/93/17/45/519931745.db2.gz SSMHBCNUNMJWFX-NSHDSACASA-N 1 0 253.342 2.471 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N[C@H](C)c1ccc(C)s1 ZINC000061267744 519937173 /nfs/dbraw/zinc/93/71/73/519937173.db2.gz GJPBYBIDMDISJY-MWLCHTKSSA-N 1 0 254.399 2.479 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000061266868 519937810 /nfs/dbraw/zinc/93/78/10/519937810.db2.gz NTCHPBAZQZYINU-NEPJUHHUSA-N 1 0 294.395 2.127 10 0 CEAERO CCC[NH2+]C[C@](C)(CCC)[C@@H]1CCS(=O)(=O)C1 ZINC000054656769 519939775 /nfs/dbraw/zinc/93/97/75/519939775.db2.gz VJVFQMYWIOLFJA-OLZOCXBDSA-N 1 0 261.431 2.227 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000061266997 519941325 /nfs/dbraw/zinc/94/13/25/519941325.db2.gz UXSKUKDPILTPBS-LLVKDONJSA-N 1 0 289.379 2.219 10 0 CEAERO CCC[NH2+]Cc1c(C)nn(C)c1N(CC)CC1CC1 ZINC000069238733 519942123 /nfs/dbraw/zinc/94/21/23/519942123.db2.gz LKKASXOGOFKYPQ-UHFFFAOYSA-N 1 0 264.417 2.464 10 0 CEAERO CC[NH2+]C[C@@H](O)c1cc(Br)cs1 ZINC000055028023 519945959 /nfs/dbraw/zinc/94/59/59/519945959.db2.gz YJQUIPHAOZDQHG-SSDOTTSWSA-N 1 0 250.161 2.154 10 0 CEAERO CC[NH2+]C[C@@H](Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 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CC[NH2+]Cc1sc(N2CCO[C@H]3CCC[C@@H]32)nc1C ZINC000054999058 520034192 /nfs/dbraw/zinc/03/41/92/520034192.db2.gz FRBMLFGWMCZECR-RYUDHWBXSA-N 1 0 281.425 2.319 10 0 CEAERO CCC[NH2+][C@@](C)(CCCOc1cccc(OC)c1)C(N)=O ZINC000045513009 520034711 /nfs/dbraw/zinc/03/47/11/520034711.db2.gz BPJTWIYYKKLKOJ-INIZCTEOSA-N 1 0 294.395 2.098 10 0 CEAERO CCC[NH2+][C@@](C)(CCOCC1CCCCC1)C(N)=O ZINC000052157233 520036557 /nfs/dbraw/zinc/03/65/57/520036557.db2.gz QMHFKTLKFOFULU-HNNXBMFYSA-N 1 0 270.417 2.217 10 0 CEAERO CCC[NH2+][C@@](C)(CO[C@@H]1CCCC[C@@H]1CC)C(N)=O ZINC000045475353 520038903 /nfs/dbraw/zinc/03/89/03/520038903.db2.gz KKYKSYNDODEHSQ-GUTXKFCHSA-N 1 0 270.417 2.215 10 0 CEAERO CCCN[C@@](C)(C[NH+]1CCC(CCC)CC1)C(=O)OC ZINC000050905662 520039544 /nfs/dbraw/zinc/03/95/44/520039544.db2.gz KIYRCMZOZAVTAT-INIZCTEOSA-N 1 0 284.444 2.430 10 0 CEAERO CCOCCOc1ccc(C[NH2+]CCOC)cc1Cl ZINC000062730497 520040581 /nfs/dbraw/zinc/04/05/81/520040581.db2.gz PUGHXBQEINHKFG-UHFFFAOYSA-N 1 0 287.787 2.491 10 0 CEAERO CCC[NH2+][C@@](C)(C[C@H](C)Oc1ccccc1C)C(N)=O ZINC000068656386 520046364 /nfs/dbraw/zinc/04/63/64/520046364.db2.gz WOOHOQOWGTYLJB-BBRMVZONSA-N 1 0 278.396 2.396 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N(C)CCOc1ccc(F)cc1 ZINC000061271870 520060607 /nfs/dbraw/zinc/06/06/07/520060607.db2.gz XKBLHHMQJWWKOO-LBPRGKRZSA-N 1 0 282.359 2.051 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000061274627 520061345 /nfs/dbraw/zinc/06/13/45/520061345.db2.gz ATKUYMOQOCHDQR-DZGCQCFKSA-N 1 0 260.381 2.391 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)NCc1ccccc1COCC ZINC000061271465 520064967 /nfs/dbraw/zinc/06/49/67/520064967.db2.gz ULFIFJZNQIRHLS-ZDUSSCGKSA-N 1 0 278.396 2.227 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1ccc(OC)cc1C ZINC000061568096 520069162 /nfs/dbraw/zinc/06/91/62/520069162.db2.gz ZTIMEAIIQSQKIO-NSHDSACASA-N 1 0 250.342 2.330 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(NC(=O)N[C@H](C)C(=O)OC)cc1 ZINC000049365409 520076388 /nfs/dbraw/zinc/07/63/88/520076388.db2.gz SVMWWYCNNIUJEN-WDEREUQCSA-N 1 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YVTJMQCPJIDPEY-HOTGVXAUSA-N 1 0 296.455 2.382 10 0 CEAERO CCC[NH2+][C@H]1CCN(c2cnn(CC)c2)C[C@@H]1C ZINC000049711236 520095572 /nfs/dbraw/zinc/09/55/72/520095572.db2.gz JSPQOMWCWNVNRK-JSGCOSHPSA-N 1 0 250.390 2.117 10 0 CEAERO CC[NH2+][C@@H](COC)Cc1nc2ccccc2s1 ZINC000063025875 520099071 /nfs/dbraw/zinc/09/90/71/520099071.db2.gz JJAIWBRFXHIKBX-SNVBAGLBSA-N 1 0 250.367 2.463 10 0 CEAERO CCCN[C@](C)(CC[N@H+](CC)CC1CC1)C(=O)OC ZINC000069239686 520104624 /nfs/dbraw/zinc/10/46/24/520104624.db2.gz ZPOKZRMDHUTYHB-OAHLLOKOSA-N 1 0 270.417 2.040 10 0 CEAERO CC[NH2+][C@@H](Cc1cnn(C)c1)Cc1cccc(OC)c1 ZINC000050543022 520106353 /nfs/dbraw/zinc/10/63/53/520106353.db2.gz CJAICYVNVABWTF-OAHLLOKOSA-N 1 0 273.380 2.192 10 0 CEAERO CC[NH2+][C@@H](Cn1ncccc1=O)c1cc2ccccc2o1 ZINC000061402146 520108376 /nfs/dbraw/zinc/10/83/76/520108376.db2.gz CLNXQHVETXYDQC-ZDUSSCGKSA-N 1 0 283.331 2.340 10 0 CEAERO CCC[NH2+][C@](C)(C[C@@H](C)[N@H+](CC1CC1)C1CC1)C(=O)[O-] ZINC000068648335 520112659 /nfs/dbraw/zinc/11/26/59/520112659.db2.gz ZXEIXMHJUOVVOB-MLGOLLRUSA-N 1 0 282.428 2.482 10 0 CEAERO CC[NH2+][C@@H](c1ccccc1CC)[C@@H]1CCS(=O)(=O)C1 ZINC000052201596 520114949 /nfs/dbraw/zinc/11/49/49/520114949.db2.gz OKESJWSZHUVVLF-UKRRQHHQSA-N 1 0 281.421 2.334 10 0 CEAERO CCC[NH2+][C@](C)(C[C@H](C)Oc1cccc(OC)c1)C(N)=O ZINC000068655601 520115093 /nfs/dbraw/zinc/11/50/93/520115093.db2.gz MODGFXNBENGXEB-BLLLJJGKSA-N 1 0 294.395 2.096 10 0 CEAERO CCC[NH2+][C@](CN(C)c1ccccc1C)(C(N)=O)C1CC1 ZINC000069231349 520120323 /nfs/dbraw/zinc/12/03/23/520120323.db2.gz XCSFAZBBDGNYGL-KRWDZBQOSA-N 1 0 289.423 2.065 10 0 CEAERO CC[NH2+][C@@H]1CCc2c1cccc2OCc1ncon1 ZINC000062799534 520121956 /nfs/dbraw/zinc/12/19/56/520121956.db2.gz XATKRGMCXCAWCB-GFCCVEGCSA-N 1 0 259.309 2.245 10 0 CEAERO CC[NH2+][C@@H]1CC[C@@H](CC)C[C@H]1CN1CCOCC1 ZINC000053861181 520122879 /nfs/dbraw/zinc/12/28/79/520122879.db2.gz VVGROBRTHBTRGT-QLFBSQMISA-N 1 0 254.418 2.123 10 0 CEAERO CCCCCC[C@H](C)[NH2+][C@H](C)C(=O)NCCCOC ZINC000049202760 520130751 /nfs/dbraw/zinc/13/07/51/520130751.db2.gz XRLOLMWCXVZARD-UONOGXRCSA-N 1 0 272.433 2.476 10 0 CEAERO CCN[C@@](C)(C[C@@H](C)[NH+](CC1CC1)CC1CC1)C(=O)OC ZINC000068647984 520140570 /nfs/dbraw/zinc/14/05/70/520140570.db2.gz OSMGWUUMPPUGOG-DYVFJYSZSA-N 1 0 296.455 2.428 10 0 CEAERO CC[NH2+][C@@](C)(C[C@H](C)n1c(C)nc2ccccc21)C(N)=O ZINC000068648776 520146962 /nfs/dbraw/zinc/14/69/62/520146962.db2.gz NTRIBPMURVQKRN-ZBEGNZNMSA-N 1 0 288.395 2.149 10 0 CEAERO CC[NH2+][C@@](C)(C[C@H](C)Oc1ccc(C)cc1OC)C(N)=O ZINC000068657123 520147879 /nfs/dbraw/zinc/14/78/79/520147879.db2.gz UMZZEHJUVXKWTE-LRDDRELGSA-N 1 0 294.395 2.015 10 0 CEAERO CCCNc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000050779360 520150233 /nfs/dbraw/zinc/15/02/33/520150233.db2.gz FHRKKMQIICTLSM-HNNXBMFYSA-N 1 0 287.407 2.475 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N1CC[C@H](c2ccccc2)C1 ZINC000061274626 520164533 /nfs/dbraw/zinc/16/45/33/520164533.db2.gz ATKUYMOQOCHDQR-HIFRSBDPSA-N 1 0 260.381 2.391 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)NCc1nc2ccccc2s1 ZINC000061273632 520167427 /nfs/dbraw/zinc/16/74/27/520167427.db2.gz VQLNEFIESAZNCD-SNVBAGLBSA-N 1 0 277.393 2.301 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(=O)OC)c1 ZINC000061270178 520169678 /nfs/dbraw/zinc/16/96/78/520169678.db2.gz LJLNFBLEXWBCRX-SECBINFHSA-N 1 0 298.770 2.453 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1cccc(OCC)c1 ZINC000061271603 520170763 /nfs/dbraw/zinc/17/07/63/520170763.db2.gz UWDHHGNJPBUUEZ-LLVKDONJSA-N 1 0 250.342 2.412 10 0 CEAERO CC[NH2+][C@H](CC[C@@H]1CCCCO1)Cc1ncc[nH]1 ZINC000069391976 520195434 /nfs/dbraw/zinc/19/54/34/520195434.db2.gz YFOPCKXYFYCWOY-OLZOCXBDSA-N 1 0 251.374 2.280 10 0 CEAERO CC[NH2+][C@H](Cc1cnn(C)c1)Cc1ccccc1C ZINC000050543189 520203691 /nfs/dbraw/zinc/20/36/91/520203691.db2.gz MEUFYDIGMCDNQQ-MRXNPFEDSA-N 1 0 257.381 2.492 10 0 CEAERO CC[NH2+][C@H](Cn1ncccc1=O)c1ccc(C)c(C)c1 ZINC000061402142 520205398 /nfs/dbraw/zinc/20/53/98/520205398.db2.gz AEZDSLSSXZEXPZ-OAHLLOKOSA-N 1 0 271.364 2.211 10 0 CEAERO CC[NH2+][C@H](c1c(F)cc(F)cc1F)[C@H]1COCCO1 ZINC000055300014 520205575 /nfs/dbraw/zinc/20/55/75/520205575.db2.gz HXHFQNGFJBUKON-YPMHNXCESA-N 1 0 275.270 2.170 10 0 CEAERO CCCCCNC(=O)[C@@H](C)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063190382 520209252 /nfs/dbraw/zinc/20/92/52/520209252.db2.gz BVGFFBAFDUKMOP-OWCLPIDISA-N 1 0 295.471 2.288 10 0 CEAERO CCCCCNC(=O)[C@H](C)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063190383 520215927 /nfs/dbraw/zinc/21/59/27/520215927.db2.gz BVGFFBAFDUKMOP-HRCADAONSA-N 1 0 295.471 2.288 10 0 CEAERO CC[NH2+][C@H]1CCCc2cc(OC[C@@H](O)COCC)ccc21 ZINC000069275785 520215924 /nfs/dbraw/zinc/21/59/24/520215924.db2.gz FZZNGPIGVZKAQN-YOEHRIQHSA-N 1 0 293.407 2.450 10 0 CEAERO CC[NH2+][C@H]1CCOC[C@H]1n1cc(-c2ccccc2)cn1 ZINC000054961116 520217427 /nfs/dbraw/zinc/21/74/27/520217427.db2.gz FWPYSMSMZODMPB-JKSUJKDBSA-N 1 0 271.364 2.490 10 0 CEAERO CC[NH2+][C@H]1CCOC[C@@H]1Oc1cccc(F)c1F ZINC000062613449 520217587 /nfs/dbraw/zinc/21/75/87/520217587.db2.gz KTIFFDOYDHPIFR-JQWIXIFHSA-N 1 0 257.280 2.111 10 0 CEAERO CC1(C(=O)Nc2ccc(N3CCCC3)nc2)CC[NH2+]CC1 ZINC000062840120 520233650 /nfs/dbraw/zinc/23/36/50/520233650.db2.gz WXLXASAEYSYCPO-UHFFFAOYSA-N 1 0 288.395 2.010 10 0 CEAERO CC[NH2+][C@](C)(C[C@@H](C)Oc1ccccc1CC)C(N)=O ZINC000068657448 520238143 /nfs/dbraw/zinc/23/81/43/520238143.db2.gz UYTWDOWKSQYSEL-MLGOLLRUSA-N 1 0 278.396 2.260 10 0 CEAERO CCN[C@](C)(C[C@H](C)[NH+]1CCC2(CCCC2)CC1)C(N)=O ZINC000068645375 520240990 /nfs/dbraw/zinc/24/09/90/520240990.db2.gz ZBOYJLLGNLJYSA-GOEBONIOSA-N 1 0 295.471 2.275 10 0 CEAERO CCN[C@](C)(C[C@H](C)[N@@H+]1CCCC(C)(C)C1)C(=O)OC ZINC000068647820 520241102 /nfs/dbraw/zinc/24/11/02/520241102.db2.gz USVDOIFTUFBNNC-XJKSGUPXSA-N 1 0 284.444 2.428 10 0 CEAERO CC[NH2+][C@](COc1ccccc1C(C)C)(C(N)=O)C1CC1 ZINC000069197803 520251694 /nfs/dbraw/zinc/25/16/94/520251694.db2.gz ANAYFSFXTIWOKD-KRWDZBQOSA-N 1 0 290.407 2.432 10 0 CEAERO CCCOCc1nc(C)c([C@H](C)C[NH2+]CCOC)c(C)n1 ZINC000054855209 520261058 /nfs/dbraw/zinc/26/10/58/520261058.db2.gz TWPUJIAEUJBNFI-GFCCVEGCSA-N 1 0 295.427 2.360 10 0 CEAERO CCNc1ccc(C(=O)NC[C@H]2CC[N@H+](CC)C2)cc1 ZINC000050770010 520289149 /nfs/dbraw/zinc/28/91/49/520289149.db2.gz JXIBSQVBWFXRCQ-CYBMUJFWSA-N 1 0 275.396 2.190 10 0 CEAERO CCNc1ccc(C(=O)N[C@@H](C[NH+](C)C)C(C)C)cc1 ZINC000050779755 520291546 /nfs/dbraw/zinc/29/15/46/520291546.db2.gz VILMQXHYOPDPCQ-HNNXBMFYSA-N 1 0 277.412 2.434 10 0 CEAERO CCNc1ccc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)cn1 ZINC000050791191 520291653 /nfs/dbraw/zinc/29/16/53/520291653.db2.gz RFLYXCOYXJALBR-ZDUSSCGKSA-N 1 0 290.411 2.118 10 0 CEAERO CCO[C@@H](C[NH3+])CCSc1ncnc2ccccc21 ZINC000062741972 520308984 /nfs/dbraw/zinc/30/89/84/520308984.db2.gz LXYZCFWBGZMIRT-LLVKDONJSA-N 1 0 277.393 2.476 10 0 CEAERO CCO[C@@H](C[NH3+])CCn1cnc2cc(C)c(C)cc21 ZINC000062741362 520309071 /nfs/dbraw/zinc/30/90/71/520309071.db2.gz ZJDFCGNNRIRUSI-CYBMUJFWSA-N 1 0 261.369 2.407 10 0 CEAERO CCO[C@@H](C[NH3+])CCN1c2ccccc2CCCC1=O ZINC000062741416 520309359 /nfs/dbraw/zinc/30/93/59/520309359.db2.gz AAYKUQSDHMRDOB-CQSZACIVSA-N 1 0 276.380 2.110 10 0 CEAERO CCCCC[C@H](C)NS(=O)(=O)C[C@@H]1CCCC[NH2+]1 ZINC000049631381 520309661 /nfs/dbraw/zinc/30/96/61/520309661.db2.gz UYVATGCBLMEKBJ-STQMWFEESA-N 1 0 276.446 2.017 10 0 CEAERO CCO[C@@H](C[NH3+])CSc1nc2cc(C)ccc2[nH]1 ZINC000062740676 520311058 /nfs/dbraw/zinc/31/10/58/520311058.db2.gz STWOCTJISLKCPZ-JTQLQIEISA-N 1 0 265.382 2.327 10 0 CEAERO CCNc1ncccc1CN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055071215 520378930 /nfs/dbraw/zinc/37/89/30/520378930.db2.gz ALCOUXGEDHEMQE-AWEZNQCLSA-N 1 0 276.428 2.430 10 0 CEAERO CC1(C)CC[NH+](CC(=O)Nc2cccc(N)c2)CC1 ZINC000061818147 520379065 /nfs/dbraw/zinc/37/90/65/520379065.db2.gz SLWADCBZOHYZHF-UHFFFAOYSA-N 1 0 261.369 2.329 10 0 CEAERO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[C@H]([NH3+])[C@@H]1C ZINC000055137046 520417353 /nfs/dbraw/zinc/41/73/53/520417353.db2.gz BTEKTXHEFNTIBB-BBBLOLIVSA-N 1 0 266.307 2.161 10 0 CEAERO CCCOc1ccc([C@@H]([NH2+]C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000052919597 520418037 /nfs/dbraw/zinc/41/80/37/520418037.db2.gz DLUWRVISFMTRIA-DZGCQCFKSA-N 1 0 297.420 2.171 10 0 CEAERO CCO[C@@H]1C[C@]([NH3+])(C(=O)N(CC2CC2)CC2CC2)C1(C)C ZINC000157296043 520452587 /nfs/dbraw/zinc/45/25/87/520452587.db2.gz XECBGEAHZMOPBA-PBHICJAKSA-N 1 0 294.439 2.168 10 0 CEAERO CC1(C)COCCN1c1cc(Cl)ccc1C[NH3+] ZINC000062786901 520507455 /nfs/dbraw/zinc/50/74/55/520507455.db2.gz CSURAZVRMVXIQQ-UHFFFAOYSA-N 1 0 254.761 2.414 10 0 CEAERO CCCC[N@H+](CC[C@@H]([NH2+]C(C)C)C(=O)[O-])C1CC1 ZINC000062459254 520539388 /nfs/dbraw/zinc/53/93/88/520539388.db2.gz HEVYJAKDVUZLIZ-CYBMUJFWSA-N 1 0 256.390 2.092 10 0 CEAERO CCCS(=O)(=O)c1ccc(OC[C@@H]2CCC[NH2+]C2)cc1 ZINC000051883107 520542805 /nfs/dbraw/zinc/54/28/05/520542805.db2.gz LVPZLCVRUKPNRO-CYBMUJFWSA-N 1 0 297.420 2.249 10 0 CEAERO CCCS(=O)(=O)c1ccc(NC(C)(C)C[NH3+])cc1 ZINC000063020864 520542824 /nfs/dbraw/zinc/54/28/24/520542824.db2.gz WMSHUPHRRYBWQT-UHFFFAOYSA-N 1 0 270.398 2.020 10 0 CEAERO CCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000052396223 520650734 /nfs/dbraw/zinc/65/07/34/520650734.db2.gz VVLOFFZYZLJKPK-CZUORRHYSA-N 1 0 274.408 2.438 10 0 CEAERO CCOc1cc(C)ccc1NC(=O)C(C)(C)[NH2+]C ZINC000061316727 520681226 /nfs/dbraw/zinc/68/12/26/520681226.db2.gz RODLUCOXYAUSED-UHFFFAOYSA-N 1 0 250.342 2.330 10 0 CEAERO CCC[C@@H]1CN(Cc2ncc(C)c(OC)c2C)CC[NH2+]1 ZINC000068692491 520840455 /nfs/dbraw/zinc/84/04/55/520840455.db2.gz WHFOGZXOXQDHAL-CQSZACIVSA-N 1 0 277.412 2.281 10 0 CEAERO CC[NH+](CC)[C@@H]1CCN(c2ccc(Cl)c(CO)n2)C1 ZINC000062967496 520848643 /nfs/dbraw/zinc/84/86/43/520848643.db2.gz XEOMTYWXPTUUQR-LLVKDONJSA-N 1 0 283.803 2.148 10 0 CEAERO CCOc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000051358710 520897022 /nfs/dbraw/zinc/89/70/22/520897022.db2.gz BCKZFCPRTYPFTL-JKSUJKDBSA-N 1 0 288.391 2.442 10 0 CEAERO CCN(CC)c1nc(C)c([C@@H](C)C[NH2+]CCOC)c(C)n1 ZINC000054855196 520925725 /nfs/dbraw/zinc/92/57/25/520925725.db2.gz UVLGRMAGIROYHO-LBPRGKRZSA-N 1 0 294.443 2.279 10 0 CEAERO CCC[C@@]1(C(=O)NCCc2ccsc2)CC[NH2+]C1 ZINC000062901550 520942773 /nfs/dbraw/zinc/94/27/73/520942773.db2.gz QCQYHYUMJSULLN-CQSZACIVSA-N 1 0 266.410 2.187 10 0 CEAERO CCC[C@@]1(C(=O)Nc2ccc3c(c2)OCO3)CC[NH2+]C1 ZINC000062889887 520944119 /nfs/dbraw/zinc/94/41/19/520944119.db2.gz YBYKNFUWHNFTNL-OAHLLOKOSA-N 1 0 276.336 2.134 10 0 CEAERO CC1CCC(NC(=O)[C@@H]2C[C@H]([NH3+])CC[C@@H]2C)CC1 ZINC000055124500 520949413 /nfs/dbraw/zinc/94/94/13/520949413.db2.gz LXLWGLKGWQDXSO-ALMXHQDSSA-N 1 0 252.402 2.445 10 0 CEAERO CCOC(=O)[C@@](C)([NH3+])CCCN(C)c1cccc(OC)c1 ZINC000049971664 521153327 /nfs/dbraw/zinc/15/33/27/521153327.db2.gz UBHQIRNCSJGZFM-INIZCTEOSA-N 1 0 294.395 2.192 10 0 CEAERO CCOC(=O)[C@@](N)(C[N@H+](CC)CC1CC1)c1ccccc1 ZINC000069239521 521171370 /nfs/dbraw/zinc/17/13/70/521171370.db2.gz FZGXOLTYDOKPTF-QGZVFWFLSA-N 1 0 290.407 2.136 10 0 CEAERO CCC[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC)c1cccs1 ZINC000049544525 521172233 /nfs/dbraw/zinc/17/22/33/521172233.db2.gz DGNXTUHJYJXUBS-ZJUUUORDSA-N 1 0 283.397 2.023 10 0 CEAERO CCCC[C@H](CC)COCC[C@@H]([NH2+]CCC)C(N)=O ZINC000062543005 521180854 /nfs/dbraw/zinc/18/08/54/521180854.db2.gz BMXMNKVWCGDBCF-UONOGXRCSA-N 1 0 272.433 2.463 10 0 CEAERO CCC[C@H](O)[C@@H](CC)[NH+]1CCN(CC(C)C)CC1 ZINC000055080866 521191663 /nfs/dbraw/zinc/19/16/63/521191663.db2.gz HCSXQONIZHWORH-CABCVRRESA-N 1 0 256.434 2.200 10 0 CEAERO CCCC[C@H](C[NH2+]C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000052951170 521192808 /nfs/dbraw/zinc/19/28/08/521192808.db2.gz KQESXQXCVJQMOQ-CHWSQXEVSA-N 1 0 261.431 2.226 10 0 CEAERO CCN(C[C@@H](C)C[NH3+])C(=O)CCc1cccc(C)c1 ZINC000051966675 521200282 /nfs/dbraw/zinc/20/02/82/521200282.db2.gz DJZHIRLYTFEQRS-AWEZNQCLSA-N 1 0 262.397 2.371 10 0 CEAERO CCN(C[C@@H]([NH2+]C)c1ccc2c(c1)OCO2)CC1CC1 ZINC000069238051 521214615 /nfs/dbraw/zinc/21/46/15/521214615.db2.gz SYTGFVHLQQARKU-CQSZACIVSA-N 1 0 276.380 2.408 10 0 CEAERO CCC[C@H]1CN(Cc2cnn(C)c2)[C@H]([C@@H](C)CC)C[NH2+]1 ZINC000068700951 521221043 /nfs/dbraw/zinc/22/10/43/521221043.db2.gz NPITWGGODUWFEK-BPUTZDHNSA-N 1 0 278.444 2.409 10 0 CEAERO CCOc1ccc([C@H](O)CN2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061652665 521264212 /nfs/dbraw/zinc/26/42/12/521264212.db2.gz VCZCSGQFHGAQIU-NVXWUHKLSA-N 1 0 292.423 2.145 10 0 CEAERO CCC[C@]1(C(=O)N2CCO[C@H]3CCCC[C@@H]32)CCC[NH2+]C1 ZINC000062857268 521299398 /nfs/dbraw/zinc/29/93/98/521299398.db2.gz BZCBNDFNIDZOFD-ZOBUZTSGSA-N 1 0 294.439 2.326 10 0 CEAERO CCC(C)(C)[N@H+](C)C[C@](NC)(C(=O)OC)c1ccccc1 ZINC000069446699 521305636 /nfs/dbraw/zinc/30/56/36/521305636.db2.gz BNFFKBOHNZNWHA-QGZVFWFLSA-N 1 0 292.423 2.395 10 0 CEAERO CCC(C)(C)N(C)S(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000069456840 521307550 /nfs/dbraw/zinc/30/75/50/521307550.db2.gz ZPTXQTSYCBSFJT-UHFFFAOYSA-N 1 0 290.454 2.058 10 0 CEAERO CCN(Cc1ccc(OC)c(F)c1)C(=O)C(C)(C)[NH2+]C ZINC000061316928 521322033 /nfs/dbraw/zinc/32/20/33/521322033.db2.gz VCQVNNLWXRRHDK-UHFFFAOYSA-N 1 0 282.359 2.181 10 0 CEAERO CCOC(=O)[C@](C)(C[C@H](C)[N@H+](C)CC1CC1)NC1CC1 ZINC000068627746 521324018 /nfs/dbraw/zinc/32/40/18/521324018.db2.gz FPLBSEGBXLWLEN-LRDDRELGSA-N 1 0 282.428 2.181 10 0 CEAERO CCOC(=O)[C@](C[N@@H+]1CCCC[C@@H]1CC)(NC)C1CC1 ZINC000069097286 521339904 /nfs/dbraw/zinc/33/99/04/521339904.db2.gz BZVSUHOJCOHUBI-GOEBONIOSA-N 1 0 282.428 2.182 10 0 CEAERO CCOC(=O)[C@](C[NH+]1CCC(CC)CC1)(NC)C1CC1 ZINC000069183857 521341281 /nfs/dbraw/zinc/34/12/81/521341281.db2.gz ZZBAIJDNTJFLPJ-MRXNPFEDSA-N 1 0 282.428 2.040 10 0 CEAERO CCC(C)(C)NC(=O)[C@H](C)Oc1ccc2c(c1)OC[C@@H]2[NH3+] ZINC000062803856 521341835 /nfs/dbraw/zinc/34/18/35/521341835.db2.gz HCLIVKIOZHKUGR-GWCFXTLKSA-N 1 0 292.379 2.151 10 0 CEAERO CCC(C)(C)[C@@H]1CCc2[nH]nc(N3CC[NH2+]CC3)c2C1 ZINC000062670038 521360679 /nfs/dbraw/zinc/36/06/79/521360679.db2.gz QVSCGSWGHKLNMV-GFCCVEGCSA-N 1 0 276.428 2.360 10 0 CEAERO CCN(Cc1cccnc1Cl)C1CC[NH2+]CC1 ZINC000052709508 521398347 /nfs/dbraw/zinc/39/83/47/521398347.db2.gz NDJAOGFFYMTMBE-UHFFFAOYSA-N 1 0 253.777 2.309 10 0 CEAERO CCN(Cc1cnn(C)c1)C1(C[NH3+])CCCCCC1 ZINC000050539267 521440333 /nfs/dbraw/zinc/44/03/33/521440333.db2.gz OXNISTUEBYFIEW-UHFFFAOYSA-N 1 0 264.417 2.294 10 0 CEAERO CCC(CC)C[N@H+](CC)C[C@@](N)(C(=O)OC)C1CC1 ZINC000069132106 521520275 /nfs/dbraw/zinc/52/02/75/521520275.db2.gz RIQWAQHXQOTBQG-HNNXBMFYSA-N 1 0 270.417 2.025 10 0 CEAERO CCOC(=O)c1ccc(N[C@H](C)C[NH+]2CCCC2)c(N)c1 ZINC000049189392 521520685 /nfs/dbraw/zinc/52/06/85/521520685.db2.gz UWKZTHYCLSQVJH-GFCCVEGCSA-N 1 0 291.395 2.342 10 0 CEAERO CCC(CC)C[N@H+](CC)C[C@](NC)(C(=O)OC)C1CC1 ZINC000069132129 521521473 /nfs/dbraw/zinc/52/14/73/521521473.db2.gz DQJKCEJVNPFGME-MRXNPFEDSA-N 1 0 284.444 2.286 10 0 CEAERO CCOc1ccccc1[C@H]1[C@@H](C[NH2+]C)OCCN1C1CC1 ZINC000070289573 521591006 /nfs/dbraw/zinc/59/10/06/521591006.db2.gz RXAJBGUYDSJREP-SJORKVTESA-N 1 0 290.407 2.209 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2cc3c(cc2N)CCC(=O)N3)C1 ZINC000049193247 521625895 /nfs/dbraw/zinc/62/58/95/521625895.db2.gz ZSRROOVTAAUGED-GFCCVEGCSA-N 1 0 288.395 2.050 10 0 CEAERO CCCn1c(S[C@H](c2ccco2)[C@H]([NH3+])CC)n[nH]c1=O ZINC000061594886 521635340 /nfs/dbraw/zinc/63/53/40/521635340.db2.gz TUOKFCSTGWVSJP-KOLCDFICSA-N 1 0 296.396 2.145 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@@H](C)c2cccnc2)C1 ZINC000068587662 521644959 /nfs/dbraw/zinc/64/49/59/521644959.db2.gz DVTIPZMGDJBIAY-ZFWWWQNUSA-N 1 0 290.411 2.268 10 0 CEAERO CCOC1CCN([C@H](C[NH2+]C2CC2)C(C)C)CC1 ZINC000052483921 521657100 /nfs/dbraw/zinc/65/71/00/521657100.db2.gz KPJPXXBAGISSPH-OAHLLOKOSA-N 1 0 254.418 2.264 10 0 CEAERO CCC1(C(=O)N2C[C@H](C)C[C@@H](C)C2)CC[NH2+]CC1 ZINC000062847795 521665167 /nfs/dbraw/zinc/66/51/67/521665167.db2.gz LRKNOINMEDJFLQ-CHWSQXEVSA-N 1 0 252.402 2.271 10 0 CEAERO CCCn1nccc1NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000150851904 521676337 /nfs/dbraw/zinc/67/63/37/521676337.db2.gz URAFMDGFUVQJPL-QWHCGFSZSA-N 1 0 293.415 2.143 10 0 CEAERO CCC[N@H+](C[C@](NC(C)C)(C(=O)OC)C1CC1)C1CC1 ZINC000069098241 521677820 /nfs/dbraw/zinc/67/78/20/521677820.db2.gz AIWKFOUZJCLIJJ-MRXNPFEDSA-N 1 0 282.428 2.181 10 0 CEAERO CCN1CCN(c2nc(C(C)(C)C)c(C[NH2+]C)s2)CC1 ZINC000054994828 521699869 /nfs/dbraw/zinc/69/98/69/521699869.db2.gz NHPDASXALOHQPL-UHFFFAOYSA-N 1 0 296.484 2.302 10 0 CEAERO CCSc1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccn1 ZINC000186944728 521733199 /nfs/dbraw/zinc/73/31/99/521733199.db2.gz GIEOLWRNIJBPDU-YNEHKIRRSA-N 1 0 291.420 2.003 10 0 CEAERO CCNC(=O)CC[N@@H+]1CCC[C@@H](c2nc(CC)cs2)C1 ZINC000157035363 521735584 /nfs/dbraw/zinc/73/55/84/521735584.db2.gz SNNJNXMOGBOOAH-GFCCVEGCSA-N 1 0 295.452 2.411 10 0 CEAERO CCNC(=O)COc1c(C[NH2+]C(C)(C)C)cccc1OC ZINC000062732196 521738332 /nfs/dbraw/zinc/73/83/32/521738332.db2.gz IPBQMSJGJAJWMC-UHFFFAOYSA-N 1 0 294.395 2.098 10 0 CEAERO COc1c(C)cnc(CN2C[C@H](C)[NH2+]CC2(C)C)c1C ZINC000068698158 521813217 /nfs/dbraw/zinc/81/32/17/521813217.db2.gz NJXXPVCHONVSKF-LBPRGKRZSA-N 1 0 277.412 2.279 10 0 CEAERO C[NH+](C)CCn1c2ccc(N)cc2nc1C(F)(F)F 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COCC[C@H]([NH3+])CN(C)Cc1ccccc1Cl ZINC000052810804 521952084 /nfs/dbraw/zinc/95/20/84/521952084.db2.gz NWRAUYYMXJXDKH-LBPRGKRZSA-N 1 0 256.777 2.136 10 0 CEAERO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccnc(OC)c1 ZINC000062080986 521953764 /nfs/dbraw/zinc/95/37/64/521953764.db2.gz AICWWBZHTCCUEH-GOOCMWNKSA-N 1 0 275.396 2.195 10 0 CEAERO CC[C@H](C)[C@H]1C[NH2+][C@H](C(C)C)CN1CCn1cccn1 ZINC000068703069 522008198 /nfs/dbraw/zinc/00/81/98/522008198.db2.gz KPWCNSBJXAJGID-HRCADAONSA-N 1 0 278.444 2.228 10 0 CEAERO CC[C@H](C)[C@H]1C[NH2+][C@H](C(C)C)CN1Cc1ncccn1 ZINC000068703057 522009850 /nfs/dbraw/zinc/00/98/50/522009850.db2.gz GDPGPNWJXLRVAS-SOUVJXGZSA-N 1 0 276.428 2.321 10 0 CEAERO C[NH2+]CC[C@H]1CCCCN1C(=O)c1ccc(OC)cc1O ZINC000070191831 522018818 /nfs/dbraw/zinc/01/88/18/522018818.db2.gz NJJJXUDDQJHSLN-GFCCVEGCSA-N 1 0 292.379 2.005 10 0 CEAERO C[NH2+]CC[C@H]1CCCCN1Cc1noc(CC(C)C)n1 ZINC000070193645 522018852 /nfs/dbraw/zinc/01/88/52/522018852.db2.gz LVNUXXFZBNWNPV-CYBMUJFWSA-N 1 0 280.416 2.232 10 0 CEAERO C[NH2+]CC[C@H]1CCCCN1C(=O)CC[C@@H]1CCCCO1 ZINC000070191406 522018915 /nfs/dbraw/zinc/01/89/15/522018915.db2.gz KQIVWCCOVAUPDG-CABCVRRESA-N 1 0 282.428 2.326 10 0 CEAERO C[NH2+]CCc1c(C)nc(Cc2ccc(OC)cc2)nc1C ZINC000054838108 522019039 /nfs/dbraw/zinc/01/90/39/522019039.db2.gz GLIRPVLFTMRFES-UHFFFAOYSA-N 1 0 285.391 2.455 10 0 CEAERO C[NH2+]CCc1nnc(-c2cc(Cl)ccc2F)o1 ZINC000050619503 522021771 /nfs/dbraw/zinc/02/17/71/522021771.db2.gz MRDBLVRJEPYCDN-UHFFFAOYSA-N 1 0 255.680 2.291 10 0 CEAERO COCCc1nc(C)c(CCC[NH2+]C(C)C)c(C)n1 ZINC000054837751 522032073 /nfs/dbraw/zinc/03/20/73/522032073.db2.gz GVKCUXOTUOORRT-UHFFFAOYSA-N 1 0 265.401 2.213 10 0 CEAERO COC(=O)c1ccc(C[NH2+][C@H](C)[C@H]2CCCO2)s1 ZINC000183177523 522036839 /nfs/dbraw/zinc/03/68/39/522036839.db2.gz ILXHJUKBSVQNLC-MWLCHTKSSA-N 1 0 269.366 2.192 10 0 CEAERO C[NH2+]C[C@@H](c1ccccc1)N(C)Cc1ccccn1 ZINC000052478913 522037329 /nfs/dbraw/zinc/03/73/29/522037329.db2.gz HOEIAVMICQJDAQ-INIZCTEOSA-N 1 0 255.365 2.474 10 0 CEAERO COC(=O)c1ccc(C[NH2+][C@@H](CN(C)C)C(C)C)cc1 ZINC000049195986 522037632 /nfs/dbraw/zinc/03/76/32/522037632.db2.gz AIXAXFIQKBMRRG-HNNXBMFYSA-N 1 0 278.396 2.149 10 0 CEAERO C[NH2+]C[C@@H]1CC[C@H](COc2cccc(F)c2F)O1 ZINC000062654265 522060986 /nfs/dbraw/zinc/06/09/86/522060986.db2.gz YUBRIDKQBLPGPH-VHSXEESVSA-N 1 0 257.280 2.111 10 0 CEAERO CC[C@H](C)n1ccc(CN2CCCC[C@@H]2C[NH3+])n1 ZINC000069995418 522070185 /nfs/dbraw/zinc/07/01/85/522070185.db2.gz ZYXKVOBJNILBOU-GXTWGEPZSA-N 1 0 250.390 2.167 10 0 CEAERO C[NH2+]Cc1ccc(OC[C@H](O)C(F)(F)F)c(Cl)c1 ZINC000068877194 522122535 /nfs/dbraw/zinc/12/25/35/522122535.db2.gz KAKZLJMMVDEYDC-JTQLQIEISA-N 1 0 283.677 2.361 10 0 CEAERO CC[C@@H](C)N(CCOC)C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000055140619 522087798 /nfs/dbraw/zinc/08/77/98/522087798.db2.gz WYBLIWGHGIEMJH-MCIONIFRSA-N 1 0 270.417 2.168 10 0 CEAERO C[NH2+]Cc1c(C)nc(Cc2cccc(OC)c2)nc1C ZINC000054854071 522099444 /nfs/dbraw/zinc/09/94/44/522099444.db2.gz PHEAMTMZYGVCOP-UHFFFAOYSA-N 1 0 271.364 2.412 10 0 CEAERO C[NH2+]Cc1c(C)nc(-c2ccc(OC)cc2)nc1C ZINC000054854058 522100034 /nfs/dbraw/zinc/10/00/34/522100034.db2.gz PPANMKLUSZOWGE-UHFFFAOYSA-N 1 0 257.337 2.488 10 0 CEAERO C[NH2+]Cc1cc(CN(C)CC(F)(F)F)c(C)o1 ZINC000052483405 522103998 /nfs/dbraw/zinc/10/39/98/522103998.db2.gz LKYDODJOAGIJEW-UHFFFAOYSA-N 1 0 250.264 2.302 10 0 CEAERO CC[C@@H](C)N1C(=O)C[C@@H]([NH2+][C@@H](C)C2CCCCC2)C1=O ZINC000052336307 522105481 /nfs/dbraw/zinc/10/54/81/522105481.db2.gz UMTYTZGUDHUZBK-MBNYWOFBSA-N 1 0 280.412 2.471 10 0 CEAERO CNCc1cc(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)on1 ZINC000052482299 522109057 /nfs/dbraw/zinc/10/90/57/522109057.db2.gz WCHYMIISLYDMRI-CHWSQXEVSA-N 1 0 263.385 2.406 10 0 CEAERO C[NH2+]Cc1cc(Cn2nnc3ccccc32)c(C)o1 ZINC000052576721 522112682 /nfs/dbraw/zinc/11/26/82/522112682.db2.gz VZIVJYSZYGJBIK-UHFFFAOYSA-N 1 0 256.309 2.100 10 0 CEAERO C[NH2+]Cc1ccccc1N1CCN(CC(F)(F)F)CC1 ZINC000061941832 522136221 /nfs/dbraw/zinc/13/62/21/522136221.db2.gz PMPSHZHBEHPUJO-UHFFFAOYSA-N 1 0 287.329 2.090 10 0 CEAERO COC(=O)c1cccc(C[N@@H+]2CCC[C@H]2CCCO)c1 ZINC000052761865 522210724 /nfs/dbraw/zinc/21/07/24/522210724.db2.gz RRGWONOBWKDLRW-HNNXBMFYSA-N 1 0 277.364 2.210 10 0 CEAERO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2C[C@H]2C)c1 ZINC000183491518 522228079 /nfs/dbraw/zinc/22/80/79/522228079.db2.gz KRLCAYXFAHTAAU-SUNKGSAMSA-N 1 0 290.363 2.188 10 0 CEAERO CC[C@H]([NH3+])Cc1cc(OC)ccc1OCc1ncccn1 ZINC000054461714 522332843 /nfs/dbraw/zinc/33/28/43/522332843.db2.gz NWAPNHPZLPZFNL-ZDUSSCGKSA-N 1 0 287.363 2.344 10 0 CEAERO CC[C@H]([NH3+])Cc1noc(-c2ccc(OC)c(F)c2)n1 ZINC000061669654 522337319 /nfs/dbraw/zinc/33/73/19/522337319.db2.gz UTTYJGPKVVWBDF-VIFPVBQESA-N 1 0 265.288 2.164 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C)c1ccc(C)s1 ZINC000061592511 522344259 /nfs/dbraw/zinc/34/42/59/522344259.db2.gz FQEDUEXJGHTLRI-WPRPVWTQSA-N 1 0 298.437 2.049 10 0 CEAERO C[NH2+][C@@H](CCOc1ccc(-c2ccccc2)cc1)C(N)=O ZINC000062542652 522347205 /nfs/dbraw/zinc/34/72/05/522347205.db2.gz JCBDQNSIDCYJDR-INIZCTEOSA-N 1 0 284.359 2.196 10 0 CEAERO C[NH2+][C@@H](c1ccc2c(c1)C(=O)N(C)C(=O)C2)[C@@H](C)C(C)C ZINC000070124006 522369352 /nfs/dbraw/zinc/36/93/52/522369352.db2.gz LOVHFQZEHMVILG-MEDUHNTESA-N 1 0 288.391 2.394 10 0 CEAERO C[NH2+][C@@H]1CCC[C@@H]1Oc1cc(OC)cc(OC)c1 ZINC000068967364 522388049 /nfs/dbraw/zinc/38/80/49/522388049.db2.gz QFPVLGGHFDUKAJ-KGLIPLIRSA-N 1 0 251.326 2.223 10 0 CEAERO C[NH2+][C@@H]1CCC[C@H]1CN(CC(F)(F)F)C1CC1 ZINC000053871060 522388723 /nfs/dbraw/zinc/38/87/23/522388723.db2.gz MEBJXLCCJXBAHL-GXSJLCMTSA-N 1 0 250.308 2.401 10 0 CEAERO C[NH2+][C@@H]1CCO[C@@H](c2c(OC)cc(OC)cc2OC)C1 ZINC000070340600 522395537 /nfs/dbraw/zinc/39/55/37/522395537.db2.gz MVTBCYQGBGLDID-QMTHXVAHSA-N 1 0 281.352 2.152 10 0 CEAERO CN[C@@](C)(CCCC[NH+]1Cc2ccccc2C1)C(=O)OC ZINC000050912344 522405349 /nfs/dbraw/zinc/40/53/49/522405349.db2.gz UXJOUFXNHMCFPB-KRWDZBQOSA-N 1 0 290.407 2.324 10 0 CEAERO CN[C@@](C)(C[C@H](C)[N@H+](C)[C@@H]1CCC[C@@H](C)C1)C(=O)OC ZINC000068631805 522419457 /nfs/dbraw/zinc/41/94/57/522419457.db2.gz CCIUQFISJYWTKL-CTASWTNQSA-N 1 0 284.444 2.427 10 0 CEAERO C[NH2+][C@@](C)(C[C@H](C)Oc1ccccc1C(C)C)C(N)=O ZINC000068657021 522421923 /nfs/dbraw/zinc/42/19/23/522421923.db2.gz TZQAOGZTKMXDLX-LRDDRELGSA-N 1 0 278.396 2.431 10 0 CEAERO C[NH2+][C@@](COc1ccc(C(C)(C)C)cc1)(C(N)=O)C1CC1 ZINC000069197222 522430165 /nfs/dbraw/zinc/43/01/65/522430165.db2.gz JSRHTLLOUWSNDB-QGZVFWFLSA-N 1 0 290.407 2.216 10 0 CEAERO COc1cc(C[NH2+]C(C)(C)C)ccc1OCC(=O)N(C)C ZINC000062731770 522439417 /nfs/dbraw/zinc/43/94/17/522439417.db2.gz GKAWCYAIZZHLFX-UHFFFAOYSA-N 1 0 294.395 2.050 10 0 CEAERO C[NH2+][C@H](C)c1ccc(F)cc1OCC(=O)OC(C)C ZINC000062746036 522447969 /nfs/dbraw/zinc/44/79/69/522447969.db2.gz XUDDZSLTCYIFFG-SNVBAGLBSA-N 1 0 269.316 2.437 10 0 CEAERO C[NH2+][C@H](C)c1cccc(NC(=O)NCCSC)c1 ZINC000069462997 522451381 /nfs/dbraw/zinc/45/13/81/522451381.db2.gz KCWQPFZKECBDAB-SNVBAGLBSA-N 1 0 267.398 2.452 10 0 CEAERO C[NH2+][C@H](C)c1ccccc1OC[C@@H](O)C(F)(F)F ZINC000068876439 522451905 /nfs/dbraw/zinc/45/19/05/522451905.db2.gz NXBCEJVTUFTEHB-LDYMZIIASA-N 1 0 263.259 2.269 10 0 CEAERO C[NH2+][C@H](C)c1nnc(-c2ccc(OC)c(OC)c2OC)o1 ZINC000050618550 522456416 /nfs/dbraw/zinc/45/64/16/522456416.db2.gz FMNGBYSKCZVIPW-MRVPVSSYSA-N 1 0 293.323 2.043 10 0 CEAERO C[NH2+][C@H](Cc1nc(C)cs1)c1cncc(F)c1 ZINC000055268295 522475048 /nfs/dbraw/zinc/47/50/48/522475048.db2.gz KWIWPZJWPVXGTJ-LLVKDONJSA-N 1 0 251.330 2.489 10 0 CEAERO C[NH2+][C@H](c1ccc2c(c1)CC(=O)N2C)[C@H]1CCCCO1 ZINC000050961629 522483522 /nfs/dbraw/zinc/48/35/22/522483522.db2.gz OAQDEJYYJKIYQY-GDBMZVCRSA-N 1 0 274.364 2.035 10 0 CEAERO C[NH2+][C@H]1CCC2(C[C@@H]1Oc1cccc(F)c1F)OCCO2 ZINC000062613573 522488875 /nfs/dbraw/zinc/48/88/75/522488875.db2.gz PUXIKSQVPZXCMQ-AAEUAGOBSA-N 1 0 299.317 2.227 10 0 CEAERO COc1cc(C[NH2+][C@H]2C[C@H]2C)cc(OC)c1OC ZINC000052269318 522489295 /nfs/dbraw/zinc/48/92/95/522489295.db2.gz XFPVHDBEATUEKC-KOLCDFICSA-N 1 0 251.326 2.210 10 0 CEAERO C[NH2+][C@H]1CCC[C@H]1Oc1cc(OC)cc(OC)c1 ZINC000068967376 522498668 /nfs/dbraw/zinc/49/86/68/522498668.db2.gz QFPVLGGHFDUKAJ-UONOGXRCSA-N 1 0 251.326 2.223 10 0 CEAERO C[NH2+][C@H]1CCCc2nc(N(C)C3CCOCC3)sc21 ZINC000054904604 522498919 /nfs/dbraw/zinc/49/89/19/522498919.db2.gz JOZSFZCIBIPREU-NSHDSACASA-N 1 0 281.425 2.355 10 0 CEAERO CCc1nc2ccccc2n1[C@@H](C)C[C@](C)([NH3+])C(=O)OC ZINC000068650180 522505135 /nfs/dbraw/zinc/50/51/35/522505135.db2.gz CZMRLHYUDHQVNW-ZBEGNZNMSA-N 1 0 289.379 2.440 10 0 CEAERO CN[C@](C[NH+](CC(C)C)CC(C)C)(C(=O)OC)C1CC1 ZINC000069100885 522526192 /nfs/dbraw/zinc/52/61/92/522526192.db2.gz JUYYLOXWEVWXIR-INIZCTEOSA-N 1 0 284.444 2.142 10 0 CEAERO CNc1ccc(C)cc1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000053003985 522604209 /nfs/dbraw/zinc/60/42/09/522604209.db2.gz ZOLZSNFYXOFKKU-GFCCVEGCSA-N 1 0 273.380 2.003 10 0 CEAERO COc1cc(F)ccc1NC(=O)[C@@H]([NH3+])CC(C)C ZINC000049569940 522607894 /nfs/dbraw/zinc/60/78/94/522607894.db2.gz JZAWEPXDJZPDMZ-JTQLQIEISA-N 1 0 254.305 2.146 10 0 CEAERO CNc1ccc(Cl)c(CN(C)[C@@H]2CCC[N@H+](C)C2)n1 ZINC000061639135 522622958 /nfs/dbraw/zinc/62/29/58/522622958.db2.gz GTKDWQMKHIMEER-LLVKDONJSA-N 1 0 282.819 2.303 10 0 CEAERO CNc1ccc(Cl)cc1C(=O)N[C@@H](C)CC[NH+](C)C ZINC000050788303 522628469 /nfs/dbraw/zinc/62/84/69/522628469.db2.gz HQPYFGAXZOJWIS-JTQLQIEISA-N 1 0 283.803 2.452 10 0 CEAERO CC[C@@H]([NH3+])CNc1cc(C)c(Br)cn1 ZINC000163958360 522640180 /nfs/dbraw/zinc/64/01/80/522640180.db2.gz IEBMXIWUJCXOPW-MRVPVSSYSA-N 1 0 258.163 2.302 10 0 CEAERO CC[C@@H]([NH3+])Cc1nccn1Cc1ccccc1OC ZINC000062803202 522646582 /nfs/dbraw/zinc/64/65/82/522646582.db2.gz MNCNGPAISHKISV-CYBMUJFWSA-N 1 0 259.353 2.220 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccco1)N1CCC[C@@H]1CCCO ZINC000052757410 522648339 /nfs/dbraw/zinc/64/83/39/522648339.db2.gz QHKJBFGIVYYVLU-NFAWXSAZSA-N 1 0 266.385 2.295 10 0 CEAERO CNc1nc2ccccc2cc1C[N@@H+]1CCC[C@H]1CO ZINC000050816581 522691301 /nfs/dbraw/zinc/69/13/01/522691301.db2.gz LSFDAOWHHHIDJG-AWEZNQCLSA-N 1 0 271.364 2.233 10 0 CEAERO COC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000159098832 522695147 /nfs/dbraw/zinc/69/51/47/522695147.db2.gz BKVKGQCALPGSGN-INIZCTEOSA-N 1 0 282.343 2.170 10 0 CEAERO COC1CCN([C@H](C[NH3+])CCc2ccccc2)CC1 ZINC000061624603 522706486 /nfs/dbraw/zinc/70/64/86/522706486.db2.gz YRVFJWLJLQGQKX-HNNXBMFYSA-N 1 0 262.397 2.057 10 0 CEAERO COC1CCN([C@H](C[NH3+])c2ccc(F)cc2C)CC1 ZINC000050578492 522706560 /nfs/dbraw/zinc/70/65/60/522706560.db2.gz WQCWJHSVUFUUPH-OAHLLOKOSA-N 1 0 266.360 2.245 10 0 CEAERO COC1CCN(c2cc(C(N)=[NH2+])c3ccccc3n2)CC1 ZINC000068797708 522708850 /nfs/dbraw/zinc/70/88/50/522708850.db2.gz HPACPXZQLRFRSS-UHFFFAOYSA-N 1 0 284.363 2.134 10 0 CEAERO CC[C@@H]([NH2+]C)c1c(C)nn(C[C@H]2CCOC2)c1C ZINC000054718719 522805889 /nfs/dbraw/zinc/80/58/89/522805889.db2.gz JLFDUIWHSAIJSM-CHWSQXEVSA-N 1 0 251.374 2.207 10 0 CEAERO CC[C@H](O)C[NH+]1CCN(CCCc2cccc(F)c2)CC1 ZINC000182814096 522813880 /nfs/dbraw/zinc/81/38/80/522813880.db2.gz NVBASRIKAJYZEB-KRWDZBQOSA-N 1 0 294.414 2.147 10 0 CEAERO CC[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000061677397 522872250 /nfs/dbraw/zinc/87/22/50/522872250.db2.gz VHUAICDEPHPFLO-SNVBAGLBSA-N 1 0 260.259 2.059 10 0 CEAERO COc1cc(OC)cc([C@@H](O)[C@@H]([NH3+])CC(C)C)c1 ZINC000054929291 522876494 /nfs/dbraw/zinc/87/64/94/522876494.db2.gz QNQZYNYABGGRKK-UONOGXRCSA-N 1 0 253.342 2.111 10 0 CEAERO COC(=O)CCC[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000062707746 523032118 /nfs/dbraw/zinc/03/21/18/523032118.db2.gz AGKBUXBPWUTWCM-UHFFFAOYSA-N 1 0 261.243 2.147 10 0 CEAERO CC[C@@H](Oc1c(Cl)cc(Cl)cc1C[NH2+]C)C(N)=O ZINC000061675943 523036197 /nfs/dbraw/zinc/03/61/97/523036197.db2.gz UBJGZHJWFOGYRT-SNVBAGLBSA-N 1 0 291.178 2.356 10 0 CEAERO CN(C[C@@H]1CCCO1)[C@@H](C[NH3+])c1ccc2ncccc2c1 ZINC000069502616 523054700 /nfs/dbraw/zinc/05/47/00/523054700.db2.gz DRMOCZKAVYJBBC-RDJZCZTQSA-N 1 0 285.391 2.345 10 0 CEAERO CC[C@H]1CCCC[C@H]1[NH2+][C@@H]1CC(=O)N(C(C)C)C1=O ZINC000049118462 523063639 /nfs/dbraw/zinc/06/36/39/523063639.db2.gz 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/nfs/dbraw/zinc/46/32/08/523463208.db2.gz ZIFIWNYLJUOHOT-TZMCWYRMSA-N 1 0 267.394 2.193 10 0 CEAERO CC[C@@H]1CN(c2ccc(F)cc2C[NH2+]CCOC)CCO1 ZINC000062735905 523470492 /nfs/dbraw/zinc/47/04/92/523470492.db2.gz JDDABLDJBLWQTL-OAHLLOKOSA-N 1 0 296.386 2.177 10 0 CEAERO CC[C@@H]1COCCN1[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+] ZINC000054555156 523501824 /nfs/dbraw/zinc/50/18/24/523501824.db2.gz BSRALFIMDAOBHX-APIJFGDWSA-N 1 0 254.418 2.249 10 0 CEAERO CC[C@@H]1CO[C@@H](C)CN1c1nc2sccn2c1C[NH2+]C ZINC000048916133 523510616 /nfs/dbraw/zinc/51/06/16/523510616.db2.gz OJGMTLPDAMEPMX-WDEREUQCSA-N 1 0 294.424 2.119 10 0 CEAERO CN(Cc1cnn(C)c1)[C@H](C[NH3+])c1cc2ccccc2o1 ZINC000068811505 523518442 /nfs/dbraw/zinc/51/84/42/523518442.db2.gz ILFWQPZRWWPRCQ-CQSZACIVSA-N 1 0 284.363 2.298 10 0 CEAERO COCCN(C(=O)CC[C@H]1CCCC[NH2+]1)[C@H](C)C1CC1 ZINC000050947127 523534252 /nfs/dbraw/zinc/53/42/52/523534252.db2.gz BTTHROYNLMXCMX-UKRRQHHQSA-N 1 0 282.428 2.182 10 0 CEAERO CCn1ccnc1COc1cccc2c1CC[C@H]2[NH3+] ZINC000062798517 523542387 /nfs/dbraw/zinc/54/23/87/523542387.db2.gz YXAZTEUFOZPQMO-CYBMUJFWSA-N 1 0 257.337 2.428 10 0 CEAERO CC[C@]1(C(=O)Nc2ccc(OC)cc2)CCC[NH2+]C1 ZINC000062851609 523543304 /nfs/dbraw/zinc/54/33/04/523543304.db2.gz QKCUGTPABLPXSD-HNNXBMFYSA-N 1 0 262.353 2.414 10 0 CEAERO CC[C@]1(C(=O)Nc2cccc(F)c2F)CC[NH2+]C1 ZINC000062897303 523545192 /nfs/dbraw/zinc/54/51/92/523545192.db2.gz MHZSJCOHNGDOIQ-ZDUSSCGKSA-N 1 0 254.280 2.293 10 0 CEAERO CC[C@]1(C)CN(Cc2ncc(C)c(OC)c2C)CC[NH2+]1 ZINC000068693133 523577202 /nfs/dbraw/zinc/57/72/02/523577202.db2.gz KMICLNLOLSEFCH-MRXNPFEDSA-N 1 0 277.412 2.281 10 0 CEAERO COc1ccc(C(=O)N(C)CC[C@@H]2CCCC[NH2+]2)cc1F ZINC000061668757 523601176 /nfs/dbraw/zinc/60/11/76/523601176.db2.gz XREGOLIXQHNCKJ-ZDUSSCGKSA-N 1 0 294.370 2.439 10 0 CEAERO COCCN(C)[C@@H](C[NH3+])c1csc2ccccc12 ZINC000054464313 523634673 /nfs/dbraw/zinc/63/46/73/523634673.db2.gz XPQCEEBSVCLTGO-ZDUSSCGKSA-N 1 0 264.394 2.479 10 0 CEAERO CN(c1ccc(C[NH3+])cc1)c1nccn(C(C)(C)C)c1=O ZINC000061950701 523637279 /nfs/dbraw/zinc/63/72/79/523637279.db2.gz YQGQQFWPUFYFIK-UHFFFAOYSA-N 1 0 286.379 2.225 10 0 CEAERO COCCN(CC(C)C)C(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050946636 523671226 /nfs/dbraw/zinc/67/12/26/523671226.db2.gz NPRQMFSVEPMRAT-CQSZACIVSA-N 1 0 270.417 2.040 10 0 CEAERO COCCN(CC(C)C)C(=O)[C@H]1CCC[C@@H](CC[NH3+])C1 ZINC000055161108 523677399 /nfs/dbraw/zinc/67/73/99/523677399.db2.gz FSIHDMVDSJHCED-GJZGRUSLSA-N 1 0 284.444 2.273 10 0 CEAERO CC[C@@]1(C(=O)N2CCc3sccc3C2)CCC[NH2+]C1 ZINC000062851827 523692404 /nfs/dbraw/zinc/69/24/04/523692404.db2.gz GYLOWFZEVJUKHB-OAHLLOKOSA-N 1 0 278.421 2.413 10 0 CEAERO CC[C@@]1(C(=O)N2CCOc3ccccc32)CCC[NH2+]C1 ZINC000062859391 523692443 /nfs/dbraw/zinc/69/24/43/523692443.db2.gz UPCJAUIRIYLOTE-MRXNPFEDSA-N 1 0 274.364 2.192 10 0 CEAERO COc1ccc(C(=O)N[C@@H](C)[C@@H]2CCCC[NH2+]2)cc1F ZINC000061668770 523721790 /nfs/dbraw/zinc/72/17/90/523721790.db2.gz DCVUEBZPHZBPOE-GWCFXTLKSA-N 1 0 280.343 2.095 10 0 CEAERO CCn1nccc1[C@@H]([NH2+]C)c1ccc(OC)c(OC)c1 ZINC000069470442 523744939 /nfs/dbraw/zinc/74/49/39/523744939.db2.gz XPCRRZSTSWABLQ-HNNXBMFYSA-N 1 0 275.352 2.229 10 0 CEAERO COCCN([C@@H](C[NH2+]CC(C)C)C(C)C)C1CC1 ZINC000052542342 523780877 /nfs/dbraw/zinc/78/08/77/523780877.db2.gz GHIGDHSIRRBGJO-HNNXBMFYSA-N 1 0 256.434 2.367 10 0 CEAERO COCCN([C@@H](C[NH3+])c1ccc(F)cc1C)C1CC1 ZINC000050579003 523781281 /nfs/dbraw/zinc/78/12/81/523781281.db2.gz VRNUMNDAWAJJLN-HNNXBMFYSA-N 1 0 266.360 2.245 10 0 CEAERO COCCN(c1ccc(Cl)cc1C[NH3+])C1CC1 ZINC000052857219 523784066 /nfs/dbraw/zinc/78/40/66/523784066.db2.gz ARCQAHOPDOWBDQ-UHFFFAOYSA-N 1 0 254.761 2.414 10 0 CEAERO C[N@@H+]1CCCC[C@@H]1CCNc1ccc(C(N)=O)cc1 ZINC000049136316 523792914 /nfs/dbraw/zinc/79/29/14/523792914.db2.gz PPJRAYBNQFUFFN-CQSZACIVSA-N 1 0 261.369 2.072 10 0 CEAERO COc1ccc(C)cc1C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000052943442 523802516 /nfs/dbraw/zinc/80/25/16/523802516.db2.gz RKMYXTNBVHTENB-STQMWFEESA-N 1 0 276.380 2.122 10 0 CEAERO COc1ccc(C)cc1C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000052943799 523802739 /nfs/dbraw/zinc/80/27/39/523802739.db2.gz JBSMXJZBEGHLSN-CYBMUJFWSA-N 1 0 288.391 2.408 10 0 CEAERO CCc1cc(N[C@H](CC(C)C)C[NH+](C)C)ncn1 ZINC000049558092 523825487 /nfs/dbraw/zinc/82/54/87/523825487.db2.gz HDILZUXIJLUQPD-CYBMUJFWSA-N 1 0 250.390 2.427 10 0 CEAERO CC[C@H](C)C[N@H+](C)C[C@](NC1CC1)(C(=O)OC)C1CC1 ZINC000069098505 523869953 /nfs/dbraw/zinc/86/99/53/523869953.db2.gz CUKNFMPPCYSESZ-BLLLJJGKSA-N 1 0 282.428 2.038 10 0 CEAERO COC(=O)[C@H](CC[NH+](CC(C)C)CC(C)C)NC1CC1 ZINC000062454535 523899098 /nfs/dbraw/zinc/89/90/98/523899098.db2.gz FWDCNESPXBACDN-HNNXBMFYSA-N 1 0 284.444 2.284 10 0 CEAERO COC(=O)[C@H](NCC[NH+](C)C)c1csc2ccccc21 ZINC000054465346 523925499 /nfs/dbraw/zinc/92/54/99/523925499.db2.gz JKDOODWUYOZOCI-CQSZACIVSA-N 1 0 292.404 2.267 10 0 CEAERO COCC[NH2+]CCCCN1CCCc2ccccc21 ZINC000053498878 523935643 /nfs/dbraw/zinc/93/56/43/523935643.db2.gz DYAIWOXHPCEUAI-UHFFFAOYSA-N 1 0 262.397 2.455 10 0 CEAERO COCC[NH2+]C[C@@H](C)Cc1cc(C)ccc1OC ZINC000054659981 523940052 /nfs/dbraw/zinc/94/00/52/523940052.db2.gz OHJGDKNYIMOOBM-ZDUSSCGKSA-N 1 0 251.370 2.418 10 0 CEAERO COCC[NH2+]C[C@@H]1C[C@@]1(C)c1cc(OC)ccc1OC ZINC000054599304 523941362 /nfs/dbraw/zinc/94/13/62/523941362.db2.gz HRRUAZJTXZTDRL-BLLLJJGKSA-N 1 0 279.380 2.217 10 0 CEAERO COCC[NH2+]C[C@@H]1C[C@@H]1c1cc(OC)c(OC)cc1OC ZINC000054598573 523941514 /nfs/dbraw/zinc/94/15/14/523941514.db2.gz RZHOGQVJWNSION-RYUDHWBXSA-N 1 0 295.379 2.052 10 0 CEAERO COCC[NH2+]C[C@@]1(CCc2scnc2C)CCOC1 ZINC000054666477 523942487 /nfs/dbraw/zinc/94/24/87/523942487.db2.gz LESGMOAJZNLCHC-CQSZACIVSA-N 1 0 284.425 2.027 10 0 CEAERO COCC[NH2+]C[C@@](C)(O)c1ccc2cc(OC)ccc2c1 ZINC000055033634 523942842 /nfs/dbraw/zinc/94/28/42/523942842.db2.gz CYGXUKJCKGICRF-QGZVFWFLSA-N 1 0 289.375 2.292 10 0 CEAERO CC[C@H](C)N1C(=O)C[C@@H]([NH2+][C@@H]2CCC[C@@H](CC)C2)C1=O ZINC000068592345 523946259 /nfs/dbraw/zinc/94/62/59/523946259.db2.gz GXMOZMQAZMDAIP-REWJHTLYSA-N 1 0 280.412 2.471 10 0 CEAERO COCC[NH2+]Cc1c(Cl)cccc1N(CCO)C1CC1 ZINC000062737631 523947224 /nfs/dbraw/zinc/94/72/24/523947224.db2.gz JTQBVESPNPPOSX-UHFFFAOYSA-N 1 0 298.814 2.037 10 0 CEAERO COCC[NH2+]Cc1cc(OC)c(OCC(C)C)c(OC)c1 ZINC000062732847 523949848 /nfs/dbraw/zinc/94/98/48/523949848.db2.gz JOQBQVYELBCRLB-UHFFFAOYSA-N 1 0 297.395 2.475 10 0 CEAERO CN(C(=O)c1cccn1C1CC[NH2+]CC1)c1cccnc1 ZINC000070231066 523949935 /nfs/dbraw/zinc/94/99/35/523949935.db2.gz IDPNEVKLLIUGMB-UHFFFAOYSA-N 1 0 284.363 2.084 10 0 CEAERO COCC[NH2+]Cc1ccc(-n2cc(C)cn2)c(C)c1 ZINC000062738656 523952056 /nfs/dbraw/zinc/95/20/56/523952056.db2.gz SCFTYBWDTHTWND-UHFFFAOYSA-N 1 0 259.353 2.225 10 0 CEAERO COCC[NH2+]Cc1ccc(OC)cc1OCCOC(C)C ZINC000062733348 523952842 /nfs/dbraw/zinc/95/28/42/523952842.db2.gz ZGHIEFIZIYLACZ-UHFFFAOYSA-N 1 0 297.395 2.235 10 0 CEAERO CC[C@H](C)[NH+]1CCN([C@@H]2CCc3ccccc3[C@@H]2O)CC1 ZINC000055069442 523957995 /nfs/dbraw/zinc/95/79/95/523957995.db2.gz GVBZXMDHCPJUBA-QGTPRVQTSA-N 1 0 288.435 2.451 10 0 CEAERO COCC[NH2+]Cc1sc(N2CCC[C@H]2C)nc1C ZINC000054968901 523958633 /nfs/dbraw/zinc/95/86/33/523958633.db2.gz HXWODCQNHMAMMB-SNVBAGLBSA-N 1 0 269.414 2.176 10 0 CEAERO CCc1ccc(N(C)S(=O)(=O)CC[NH2+]C(C)C)cc1 ZINC000049974543 523959875 /nfs/dbraw/zinc/95/98/75/523959875.db2.gz RHCSIQQKJRGNJB-UHFFFAOYSA-N 1 0 284.425 2.013 10 0 CEAERO C[N@@H+]1CC[C@@H](CNc2ccc(C(N)=S)cc2Cl)C1 ZINC000062795351 523963134 /nfs/dbraw/zinc/96/31/34/523963134.db2.gz PMCHVYSYXNBHHB-VIFPVBQESA-N 1 0 283.828 2.338 10 0 CEAERO CC[C@H](C)NC(=O)[C@H](C)Oc1cccc2c1CC[C@@H]2[NH3+] ZINC000062798697 523994489 /nfs/dbraw/zinc/99/44/89/523994489.db2.gz QUMHJRMZTHTRRH-MJVIPROJSA-N 1 0 276.380 2.315 10 0 CEAERO CCc1ccc(OC[C@]([NH2+]C2CC2)(C(N)=O)C2CC2)cc1 ZINC000069197148 524006914 /nfs/dbraw/zinc/00/69/14/524006914.db2.gz XZMMZIRIMXGVMS-QGZVFWFLSA-N 1 0 288.391 2.014 10 0 CEAERO CCc1ccc(O[C@H](C)C[C@](C)([NH2+]C2CC2)C(N)=O)cc1 ZINC000068655631 524008032 /nfs/dbraw/zinc/00/80/32/524008032.db2.gz DCOQTBOUVOICJX-PXAZEXFGSA-N 1 0 290.407 2.402 10 0 CEAERO CCc1ccc([C@@H](C)NC(=O)[C@H](C)C2C[NH2+]C2)cc1 ZINC000163965075 524022750 /nfs/dbraw/zinc/02/27/50/524022750.db2.gz KVIHHIUSQFUYPX-VXGBXAGGSA-N 1 0 260.381 2.282 10 0 CEAERO C[NH+](C)C1CCN(Cc2cc3ccccc3nc2N)CC1 ZINC000050813725 524040474 /nfs/dbraw/zinc/04/04/74/524040474.db2.gz ITSSSGMGOOLGAV-UHFFFAOYSA-N 1 0 284.407 2.343 10 0 CEAERO CCc1ccc([C@H](Cn2ccc(=O)cc2)[NH2+]C)cc1 ZINC000061627811 524051587 /nfs/dbraw/zinc/05/15/87/524051587.db2.gz IAWAMUQLKXOACE-INIZCTEOSA-N 1 0 256.349 2.371 10 0 CEAERO C[NH+](C)CCCOc1cc(Cl)ccc1C(N)=S ZINC000062788709 524058360 /nfs/dbraw/zinc/05/83/60/524058360.db2.gz WNEARBMKIACDQV-UHFFFAOYSA-N 1 0 272.801 2.305 10 0 CEAERO CNC(=O)CCCOc1ccc(Cl)cc1C[C@@H](C)[NH3+] ZINC000068820185 524065679 /nfs/dbraw/zinc/06/56/79/524065679.db2.gz CEZVQSPIJVGCAK-SNVBAGLBSA-N 1 0 284.787 2.135 10 0 CEAERO COc1ccc(C[NH2+]C(C)(C)C)cc1OC[C@H](C)C(N)=O ZINC000062732446 524068808 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Cc1oc(C[NH3+])cc1COc1ccc(S(C)(=O)=O)cc1 ZINC000052702137 526771906 /nfs/dbraw/zinc/77/19/06/526771906.db2.gz CYYBPVFAMROKFJ-UHFFFAOYSA-N 1 0 295.360 2.029 10 0 CEAERO NC(=[NH2+])c1cc(OC[C@H]2CCCCO2)nc2ccccc21 ZINC000068798227 526820461 /nfs/dbraw/zinc/82/04/61/526820461.db2.gz KTQNFMGVTBZPJP-LLVKDONJSA-N 1 0 285.347 2.467 10 0 CEAERO NC(=[NH2+])c1cc(OC[C@@H]2CCCCO2)nc2ccccc21 ZINC000068798223 526820623 /nfs/dbraw/zinc/82/06/23/526820623.db2.gz KTQNFMGVTBZPJP-NSHDSACASA-N 1 0 285.347 2.467 10 0 CEAERO NC(=[NH2+])c1cc(Cl)ccc1N1CCC[C@@H]1CCCO ZINC000052860230 526821031 /nfs/dbraw/zinc/82/10/31/526821031.db2.gz AURDDGPOHDJEOZ-LLVKDONJSA-N 1 0 281.787 2.365 10 0 CEAERO NC(=[NH2+])c1ccc(OC2CCOCC2)cc1Cl ZINC000061856962 526823212 /nfs/dbraw/zinc/82/32/12/526823212.db2.gz GLKFZYOHCTXLJY-UHFFFAOYSA-N 1 0 254.717 2.182 10 0 CEAERO Cc1nc(CN(C)C(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)cs1 ZINC000156151474 526833350 /nfs/dbraw/zinc/83/33/50/526833350.db2.gz JQWHKJLUOJFPPS-WCQYABFASA-N 1 0 295.452 2.436 10 0 CEAERO Cc1nc(CNC[C@H]([NH3+])Cc2ccccc2)cs1 ZINC000049539024 526887352 /nfs/dbraw/zinc/88/73/52/526887352.db2.gz HJXBZKNXBRXRKQ-CYBMUJFWSA-N 1 0 261.394 2.111 10 0 CEAERO Cc1nc(Cc2noc(C3CCC([NH3+])CC3)n2)cs1 ZINC000055273486 526930523 /nfs/dbraw/zinc/93/05/23/526930523.db2.gz XEXKDEZHDQJAAW-UHFFFAOYSA-N 1 0 278.381 2.410 10 0 CEAERO Cc1nc(Cl)cc(N[C@H](C)C[NH+]2CCCC2)n1 ZINC000052836705 526936321 /nfs/dbraw/zinc/93/63/21/526936321.db2.gz QUKIDJXEXHPFLN-SECBINFHSA-N 1 0 254.765 2.335 10 0 CEAERO Cc1nc(N(C)[C@H]2CCC[N@H+](C)C2)sc1[C@@H](C)O ZINC000054911533 526951824 /nfs/dbraw/zinc/95/18/24/526951824.db2.gz KKWIATZYBLCRLU-MNOVXSKESA-N 1 0 269.414 2.035 10 0 CEAERO NC(=O)Nc1cccc(NC(=O)CC[C@H]2CCCC[NH2+]2)c1 ZINC000050944846 526952347 /nfs/dbraw/zinc/95/23/47/526952347.db2.gz WSZLQJPRTMVIKJ-LLVKDONJSA-N 1 0 290.367 2.038 10 0 CEAERO NC(=O)[C@@H]([NH3+])CCSc1cc(Cl)ccc1Cl ZINC000062598315 526954850 /nfs/dbraw/zinc/95/48/50/526954850.db2.gz QZGOEDIYIRBDHJ-QMMMGPOBSA-N 1 0 279.192 2.288 10 0 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ZINC000063173070 527359483 /nfs/dbraw/zinc/35/94/83/527359483.db2.gz HHBWZDSXGAIFRG-GHMZBOCLSA-N 1 0 272.270 2.315 10 0 CEAERO [NH3+][C@H]1CCCCC[C@H]1NC(=O)CCc1ccccc1 ZINC000063211893 527395060 /nfs/dbraw/zinc/39/50/60/527395060.db2.gz NWQADZNSFJZHOS-LSDHHAIUSA-N 1 0 260.381 2.395 10 0 CEAERO O=c1ccc2ccccc2n1CC[C@@H]1CCC[NH2+]C1 ZINC000070339902 527488054 /nfs/dbraw/zinc/48/80/54/527488054.db2.gz NLSBDMLMZJWOOQ-ZDUSSCGKSA-N 1 0 256.349 2.391 10 0 CEAERO O[C@@H](C[NH2+]C1CC1)c1cc(Cl)c2c(c1)OCCCO2 ZINC000055029265 527651884 /nfs/dbraw/zinc/65/18/84/527651884.db2.gz RWDNEJGZGSNDBK-LBPRGKRZSA-N 1 0 283.755 2.287 10 0 CEAERO FC(F)(F)CO[C@H]1CCC[C@@H]([NH2+]Cc2ccncn2)C1 ZINC000054789529 527671514 /nfs/dbraw/zinc/67/15/14/527671514.db2.gz GOYVXJXBYDUSAB-PWSUYJOCSA-N 1 0 289.301 2.456 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CCc1ccoc1 ZINC000177331888 529065444 /nfs/dbraw/zinc/06/54/44/529065444.db2.gz MOBHDTIQXGDWDZ-CQSZACIVSA-N 1 0 264.369 2.155 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC1(C)CCC1 ZINC000175000133 529304317 /nfs/dbraw/zinc/30/43/17/529304317.db2.gz UJUVEHWKBNXXSH-UONOGXRCSA-N 1 0 279.428 2.445 10 0 CEAERO CC(C)Oc1nc(N2CC[N@@H+]3CCCC[C@@H]3C2)ccc1N ZINC000094439073 535071921 /nfs/dbraw/zinc/07/19/21/535071921.db2.gz YZCMJAKWEGUKBZ-CYBMUJFWSA-N 1 0 290.411 2.126 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000087518680 535341698 /nfs/dbraw/zinc/34/16/98/535341698.db2.gz XQKLWCGJGPHKMO-ZDUSSCGKSA-N 1 0 290.411 2.385 10 0 CEAERO CC[NH2+][C@H](C)[C@H]1CCCN(c2nc(C)cnc2C)C1 ZINC000088057497 535515912 /nfs/dbraw/zinc/51/59/12/535515912.db2.gz VRORSYJTHSUOFH-OCCSQVGLSA-N 1 0 262.401 2.308 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C)CN1c1ccc(N2CCOCC2)cc1 ZINC000086175374 535825023 /nfs/dbraw/zinc/82/50/23/535825023.db2.gz NMAFWGVPIQSGNY-LSDHHAIUSA-N 1 0 289.423 2.100 10 0 CEAERO CCc1cc(C(=O)N2CC[C@@H]([NH3+])c3ccccc32)n(C)n1 ZINC000090125042 536112002 /nfs/dbraw/zinc/11/20/02/536112002.db2.gz COZLLJVSATZZQB-CYBMUJFWSA-N 1 0 284.363 2.033 10 0 CEAERO CC[C@H](C)[NH+]1CCN(c2ncnc3cc(N)ccc32)CC1 ZINC000087821127 536148646 /nfs/dbraw/zinc/14/86/46/536148646.db2.gz QGKIJCXCWVXOQL-LBPRGKRZSA-N 1 0 285.395 2.133 10 0 CEAERO C[NH2+][C@@H](C)c1ccccc1N1CCC(CC(N)=O)CC1 ZINC000042429291 536351204 /nfs/dbraw/zinc/35/12/04/536351204.db2.gz MFIWEGJFWVJQHV-LBPRGKRZSA-N 1 0 275.396 2.059 10 0 CEAERO C[NH2+][C@H]1CCCN(c2ncnc3sc(C)cc32)C1 ZINC000110779301 536415272 /nfs/dbraw/zinc/41/52/72/536415272.db2.gz XEMCIZDKAASPQE-JTQLQIEISA-N 1 0 262.382 2.188 10 0 CEAERO COC(=O)[C@@H](C)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000093036295 536443391 /nfs/dbraw/zinc/44/33/91/536443391.db2.gz ZUVUDXBQJWMYOM-STQMWFEESA-N 1 0 294.370 2.145 10 0 CEAERO COc1ccc(N2CCC[C@@H]([NH2+]C(C)C)C2=O)c(OC)c1 ZINC000071038056 536673516 /nfs/dbraw/zinc/67/35/16/536673516.db2.gz UASLJSMOBBBZIP-CYBMUJFWSA-N 1 0 292.379 2.197 10 0 CEAERO COc1ccccc1N1CCN(C(=[NH2+])C(C)C)CC1 ZINC000062989886 537062875 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567884431 /nfs/dbraw/zinc/88/44/31/567884431.db2.gz FSBSPICGAPFNRT-XRGYYRRGSA-N 1 0 250.161 2.139 10 0 CEAERO CC(C)(C)OC(=O)[C@@H](CCCC[NH3+])[C@H]1CCOC1 ZINC000725272077 567925083 /nfs/dbraw/zinc/92/50/83/567925083.db2.gz YRBYZMPEBOTIIR-RYUDHWBXSA-N 1 0 257.374 2.110 10 0 CEAERO C[C@@H]1[C@@H](NC(=O)n2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000309865300 625339656 /nfs/dbraw/zinc/33/96/56/625339656.db2.gz FGGNKNWLQJIWES-HIFRSBDPSA-N 1 0 284.363 2.104 10 0 CEAERO COC(C)(C)C[N@H+](C)C[C@@](C)(O)c1ccccc1 ZINC000310558930 625595183 /nfs/dbraw/zinc/59/51/83/625595183.db2.gz JZXPQLYIWJMIGS-OAHLLOKOSA-N 1 0 251.370 2.251 10 0 CEAERO CSC(C)(C)CNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000073722935 623315270 /nfs/dbraw/zinc/31/52/70/623315270.db2.gz SLPJPZHEXIWARL-GFCCVEGCSA-N 1 0 289.489 2.404 10 0 CEAERO Cc1ccc(Cl)cc1C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000261557111 623377204 /nfs/dbraw/zinc/37/72/04/623377204.db2.gz RFDNATDTUHTFGJ-BXKDBHETSA-N 1 0 252.745 2.210 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1cccc(Br)c1 ZINC000261582371 623384977 /nfs/dbraw/zinc/38/49/77/623384977.db2.gz OGTLAAHSOIVMMK-KCJUWKMLSA-N 1 0 283.169 2.011 10 0 CEAERO C[NH2+]CCc1noc(CCCc2cccs2)n1 ZINC000051850645 624622447 /nfs/dbraw/zinc/62/24/47/624622447.db2.gz GSAICPDOMCFIQU-UHFFFAOYSA-N 1 0 251.355 2.068 10 0 CEAERO C[C@@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2F)C[C@H]1[NH3+] ZINC000235355744 624714368 /nfs/dbraw/zinc/71/43/68/624714368.db2.gz UIIKTFHSPMRMOV-RDDDGLTNSA-N 1 0 290.260 2.264 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[C@@H]1CCC[C@H](C)C1 ZINC000235665880 624764259 /nfs/dbraw/zinc/76/42/59/624764259.db2.gz RSBVVWJIYRDTST-RFQIPJPRSA-N 1 0 252.402 2.175 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@H]2CC[C@H]([NH3+])C2)s1 ZINC000091543807 624769863 /nfs/dbraw/zinc/76/98/63/624769863.db2.gz GIGBKOGZUBUCAU-DCAQKATOSA-N 1 0 252.383 2.361 10 0 CEAERO C[C@H]([NH3+])C1CCN(c2ncnc3ccsc32)CC1 ZINC000104130459 624970172 /nfs/dbraw/zinc/97/01/72/624970172.db2.gz JPUDCMCTWSNRCR-VIFPVBQESA-N 1 0 262.382 2.255 10 0 CEAERO Cc1nc(NCC2CC([NH3+])C2)ccc1Br ZINC000235946080 625796597 /nfs/dbraw/zinc/79/65/97/625796597.db2.gz BIMIOQVMCWYLDH-UHFFFAOYSA-N 1 0 270.174 2.302 10 0 CEAERO COc1ccc(CNC(=O)C[NH2+]CCc2ccccc2)cc1 ZINC000066213079 625799799 /nfs/dbraw/zinc/79/97/99/625799799.db2.gz GBEIAKMUQIQZAZ-UHFFFAOYSA-N 1 0 298.386 2.144 10 0 CEAERO CC(C)(C)SCCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000236595641 627395486 /nfs/dbraw/zinc/39/54/86/627395486.db2.gz JDJKCNCGQLXBSV-WDEREUQCSA-N 1 0 258.431 2.152 10 0 CEAERO c1ccc2c(c1)OCC[C@@H]2N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328563047 627891144 /nfs/dbraw/zinc/89/11/44/627891144.db2.gz ITJCOIGUXUHIKY-LFDYHEEJSA-N 1 0 270.376 2.096 10 0 CEAERO CC(=O)N1CC[C@H]([NH2+]C/C(Cl)=C\Cl)[C@@H](C)C1 ZINC000309832226 627951288 /nfs/dbraw/zinc/95/12/88/627951288.db2.gz YVVUKEUDBLEJEU-GXLIIEKNSA-N 1 0 265.184 2.152 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NOCc2ccc(F)cc2)C1 ZINC000183688433 628188619 /nfs/dbraw/zinc/18/86/19/628188619.db2.gz 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UOLSUVBHQGECKG-MELADBBJSA-N 1 0 298.427 2.040 10 0 CEAERO CO[C@H](c1noc(CCC2CC[NH2+]CC2)n1)C1CC1 ZINC000227329377 639583535 /nfs/dbraw/zinc/58/35/35/639583535.db2.gz YURFFZOBWCNMKT-ZDUSSCGKSA-N 1 0 265.357 2.099 10 0 CEAERO CO[C@@H](c1noc([C@H]2C[NH2+]Cc3ccccc32)n1)C1CC1 ZINC000227332180 639584772 /nfs/dbraw/zinc/58/47/72/639584772.db2.gz XCEBFTHWOFVYSN-UONOGXRCSA-N 1 0 285.347 2.402 10 0 CEAERO CO[C@H](c1noc([C@H]2CCCC[C@@H]2C[NH3+])n1)C1CC1 ZINC000227333830 639585208 /nfs/dbraw/zinc/58/52/08/639585208.db2.gz GYRZFYKRPSGIMY-WOPDTQHZSA-N 1 0 265.357 2.400 10 0 CEAERO Cc1cc(C)cc([C@H](O)CN2C[C@@H](C)[C@@H]([NH+](C)C)C2)c1 ZINC000227840931 639606942 /nfs/dbraw/zinc/60/69/42/639606942.db2.gz GFAAXPIRRYMMAT-HYVNUMGLSA-N 1 0 276.424 2.219 10 0 CEAERO CC(C)Cc1nnc(NC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)s1 ZINC000230295183 639753290 /nfs/dbraw/zinc/75/32/90/639753290.db2.gz MRQARUHBJLKYLJ-ZJUUUORDSA-N 1 0 282.413 2.063 10 0 CEAERO CC(C)Cc1nnc(NC(=O)[C@H]2CCCC[C@H]2C[NH3+])s1 ZINC000230295941 639754514 /nfs/dbraw/zinc/75/45/14/639754514.db2.gz VAJPDYHTFGIIQR-QWRGUYRKSA-N 1 0 296.440 2.440 10 0 CEAERO CC(C)Cc1nnc(NC(=O)[C@@H]2CCCC[C@H]2C[NH3+])s1 ZINC000230295849 639754623 /nfs/dbraw/zinc/75/46/23/639754623.db2.gz VAJPDYHTFGIIQR-WDEREUQCSA-N 1 0 296.440 2.440 10 0 CEAERO COc1ccccc1Cc1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000063084535 639823276 /nfs/dbraw/zinc/82/32/76/639823276.db2.gz BYMPWDHAQGHAJS-GFCCVEGCSA-N 1 0 287.363 2.211 10 0 CEAERO COc1ccccc1-c1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000063084725 639823517 /nfs/dbraw/zinc/82/35/17/639823517.db2.gz RDSKJJPSSKGPJZ-LLVKDONJSA-N 1 0 273.336 2.287 10 0 CEAERO Oc1ccc(-c2noc(C[C@@H]3CCC[NH2+]C3)n2)cc1F ZINC000232349421 639914532 /nfs/dbraw/zinc/91/45/32/639914532.db2.gz ZEHQHFSYCODELK-VIFPVBQESA-N 1 0 277.299 2.123 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000232501595 639927130 /nfs/dbraw/zinc/92/71/30/639927130.db2.gz XUSUZAJJFCUZPB-BFHYXJOUSA-N 1 0 298.427 2.279 10 0 CEAERO CC(C)(C)OC(=O)N1CCC([NH2+]C[C@H]2CCC[C@H]2O)CC1 ZINC000089162757 640132995 /nfs/dbraw/zinc/13/29/95/640132995.db2.gz LRODSKLEKAYZFL-TZMCWYRMSA-N 1 0 298.427 2.137 10 0 CEAERO Cc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000089386701 640361656 /nfs/dbraw/zinc/36/16/56/640361656.db2.gz CYKHFNIOSRZXNI-LSDHHAIUSA-N 1 0 260.381 2.376 10 0 CEAERO CC(C)(C)[C@@H](O)C[NH2+]CC[C@@H](O)c1ccccc1 ZINC000324600534 640687640 /nfs/dbraw/zinc/68/76/40/640687640.db2.gz IQGUCYCQBJAJES-KGLIPLIRSA-N 1 0 251.370 2.107 10 0 CEAERO CCCCC[C@H](C)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170861854 641372303 /nfs/dbraw/zinc/37/23/03/641372303.db2.gz NLDYXZXTUIUTQX-QWHCGFSZSA-N 1 0 255.406 2.301 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1csc(-c2ccoc2)n1 ZINC000237801443 641383931 /nfs/dbraw/zinc/38/39/31/641383931.db2.gz DTUVINBABKHZLD-KOLCDFICSA-N 1 0 291.376 2.260 10 0 CEAERO C[C@@H]([NH2+]CC1OCCO1)c1cccc(Br)c1 ZINC000180239356 641436374 /nfs/dbraw/zinc/43/63/74/641436374.db2.gz HWMKMMDHCILVGB-SECBINFHSA-N 1 0 286.169 2.473 10 0 CEAERO CC(C)[C@H]([NH3+])Cc1nc(-c2ccc3nccnc3c2)no1 ZINC000070433802 641665214 /nfs/dbraw/zinc/66/52/14/641665214.db2.gz HALGEZKAYWLIIV-LLVKDONJSA-N 1 0 283.335 2.206 10 0 CEAERO Cc1ccc([C@@H](C)[NH2+]CCCNC(=O)C(F)(F)F)o1 ZINC000182603072 641679944 /nfs/dbraw/zinc/67/99/44/641679944.db2.gz QBSIJXXZGAOZEN-SECBINFHSA-N 1 0 278.274 2.307 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)c1ccc2c(c1)OCO2 ZINC000070613807 641687843 /nfs/dbraw/zinc/68/78/43/641687843.db2.gz KBFDAZZTHVSHGQ-UHTWSYAYSA-N 1 0 290.363 2.110 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)NOCc2ccc(F)cc2)C1 ZINC000183688411 641780015 /nfs/dbraw/zinc/78/00/15/641780015.db2.gz NFEREKDOIJBOPK-AWEZNQCLSA-N 1 0 295.358 2.041 10 0 CEAERO C[C@H](C[NH+]1CCCC1)OC(=O)c1ccc2c(c1)OCO2 ZINC000006824183 642295808 /nfs/dbraw/zinc/29/58/08/642295808.db2.gz PGEYLDASPZJOAT-LLVKDONJSA-N 1 0 277.320 2.056 10 0 CEAERO CC[C@](C)(O)C[N@@H+]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000123440245 648973365 /nfs/dbraw/zinc/97/33/65/648973365.db2.gz FVFPKTQSUMVFLA-WFASDCNBSA-N 1 0 286.416 2.137 10 0 CEAERO COc1ccc(C)cc1[C@@H](C)NC(=O)C[C@H]([NH3+])C1CC1 ZINC000123670643 649097759 /nfs/dbraw/zinc/09/77/59/649097759.db2.gz MBZVDDSXVAHGKK-RISCZKNCSA-N 1 0 276.380 2.308 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1Nc1ncccc1Br ZINC000129547247 652012390 /nfs/dbraw/zinc/01/23/90/652012390.db2.gz RUDODYIECMKLLE-WCBMZHEXSA-N 1 0 270.174 2.397 10 0 CEAERO C[NH2+]CCc1noc(-c2cc(Cl)ccc2C)n1 ZINC000213903016 652328302 /nfs/dbraw/zinc/32/83/02/652328302.db2.gz HKPKUNHYSARCTA-UHFFFAOYSA-N 1 0 251.717 2.460 10 0 CEAERO O=C(NC[C@@H]1CC[NH2+]C1)Nc1ccccc1C(F)(F)F ZINC000131864298 652474428 /nfs/dbraw/zinc/47/44/28/652474428.db2.gz HFCFNMQVKZZCOE-SECBINFHSA-N 1 0 287.285 2.436 10 0 CEAERO Cc1cc(C)cc([C@@H](O)CN(C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000133474566 652630964 /nfs/dbraw/zinc/63/09/64/652630964.db2.gz DNNNZGSERCMJKH-WBVHZDCISA-N 1 0 276.424 2.220 10 0 CEAERO COc1c(CNCCC[N@@H+]2CCCC[C@H]2C)c(C)nn1C ZINC000134108797 652772150 /nfs/dbraw/zinc/77/21/50/652772150.db2.gz IOELKBREURBIBN-CYBMUJFWSA-N 1 0 294.443 2.091 10 0 CEAERO CC[C@H](CCO)[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000134390787 652831824 /nfs/dbraw/zinc/83/18/24/652831824.db2.gz QZLDAACZORMQRT-OLZOCXBDSA-N 1 0 291.313 2.489 10 0 CEAERO CCCNC(=O)c1ccccc1NC(=O)C[C@H]([NH3+])C(C)C ZINC000136304680 653062805 /nfs/dbraw/zinc/06/28/05/653062805.db2.gz RDXVSASSYDRLDE-ZDUSSCGKSA-N 1 0 291.395 2.138 10 0 CEAERO CC[NH2+][C@@H](CC)C[S@@](=O)c1ccccc1OC ZINC000081999827 177916562 /nfs/dbraw/zinc/91/65/62/177916562.db2.gz MOAYFPVZMRGLPV-GTNSWQLSSA-N 1 0 255.383 2.191 10 0 CEAERO Cc1nc2ccccc2nc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171643547 282082908 /nfs/dbraw/zinc/08/29/08/282082908.db2.gz NHKWNVXXNUODJD-CQSZACIVSA-N 1 0 282.391 2.218 10 0 CEAERO CC[NH2+]Cc1sc(N2CCN(C)CC2)nc1C(C)C ZINC000082434890 178012190 /nfs/dbraw/zinc/01/21/90/178012190.db2.gz PBUJTPKPMSZDHR-UHFFFAOYSA-N 1 0 282.457 2.128 10 0 CEAERO COCc1nc(N(C)C)sc1C[NH2+]CC(C)C ZINC000082447060 178025557 /nfs/dbraw/zinc/02/55/57/178025557.db2.gz VQYYGENSWJPUQQ-UHFFFAOYSA-N 1 0 257.403 2.101 10 0 CEAERO CC[NH+](CC)CCCNc1cc(Cl)nc(COC)n1 ZINC000082509848 178076500 /nfs/dbraw/zinc/07/65/00/178076500.db2.gz RWYDPXZYAOVUDL-UHFFFAOYSA-N 1 0 286.807 2.420 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc(Br)c1 ZINC000082558840 178095437 /nfs/dbraw/zinc/09/54/37/178095437.db2.gz RZZFYICZPPTNLK-KCJUWKMLSA-N 1 0 283.169 2.243 10 0 CEAERO COc1cc(OC)c([C@H]([NH3+])C2CCOCC2)cc1OC ZINC000095825609 185028981 /nfs/dbraw/zinc/02/89/81/185028981.db2.gz JFCIDMMKGOADKY-OAHLLOKOSA-N 1 0 281.352 2.139 10 0 CEAERO [NH3+]CCc1cc(-c2ccc(Br)s2)n[nH]1 ZINC000082577205 178117887 /nfs/dbraw/zinc/11/78/87/178117887.db2.gz HARLWHCOPVWCBY-UHFFFAOYSA-N 1 0 272.171 2.402 10 0 CEAERO Cc1cc(CC[NH3+])ccc1-n1cc(Br)cn1 ZINC000082612146 178125705 /nfs/dbraw/zinc/12/57/05/178125705.db2.gz JVORWKUNXUDGHB-UHFFFAOYSA-N 1 0 280.169 2.444 10 0 CEAERO [NH3+]CCCc1nnc(-c2sccc2Br)o1 ZINC000082614437 178126680 /nfs/dbraw/zinc/12/66/80/178126680.db2.gz USABQSRZGUVSEU-UHFFFAOYSA-N 1 0 288.170 2.452 10 0 CEAERO CSCC[C@H]([NH3+])c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000034939127 361798548 /nfs/dbraw/zinc/79/85/48/361798548.db2.gz ZQMWTOADHNFAKC-VIFPVBQESA-N 1 0 293.392 2.477 10 0 CEAERO Cc1ccccc1Cc1csc(N2CC[NH2+]CC2)n1 ZINC000033867176 361785498 /nfs/dbraw/zinc/78/54/98/361785498.db2.gz YEFYGVHBWYUIAA-UHFFFAOYSA-N 1 0 273.405 2.452 10 0 CEAERO C[NH2+][C@H](C)C[S@](=O)c1ccccc1Br ZINC000082747281 178268877 /nfs/dbraw/zinc/26/88/77/178268877.db2.gz AWVDPLCOUPHQHK-XLKFXECMSA-N 1 0 276.199 2.165 10 0 CEAERO C[NH2+]CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000082744562 178269409 /nfs/dbraw/zinc/26/94/09/178269409.db2.gz CPLVSJMOGDUHHA-AWEZNQCLSA-N 1 0 252.166 2.320 10 0 CEAERO CC[NH2+]CC[S@@](=O)c1ccc(Br)cc1 ZINC000082748595 178269663 /nfs/dbraw/zinc/26/96/63/178269663.db2.gz NCBYPYUXAFUGTI-AWEZNQCLSA-N 1 0 276.199 2.166 10 0 CEAERO CC(C)C(=O)N1CCC2(C[NH+](CC3CCCC3)C2)C1 ZINC000096070733 185086919 /nfs/dbraw/zinc/08/69/19/185086919.db2.gz AZWWLZGKXYXUJN-UHFFFAOYSA-N 1 0 264.413 2.367 10 0 CEAERO [NH3+][C@H]1CC[C@H]([S@](=O)c2ccccc2Br)C1 ZINC000082820415 178317100 /nfs/dbraw/zinc/31/71/00/178317100.db2.gz FCPBXALNOWPCCX-KOSWAMCASA-N 1 0 288.210 2.437 10 0 CEAERO C[C@@H](C[NH3+])[C@H](O)c1ccc(Br)s1 ZINC000083021737 178334280 /nfs/dbraw/zinc/33/42/80/178334280.db2.gz UKTRNLIZJXLHSV-XNCJUZBTSA-N 1 0 250.161 2.139 10 0 CEAERO CC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000124845697 365661206 /nfs/dbraw/zinc/66/12/06/365661206.db2.gz PNONWNUBKFDGKK-CYBMUJFWSA-N 1 0 298.333 2.389 10 0 CEAERO C[NH2+]CCC(=O)c1cc(Br)ccc1F ZINC000083256342 178371994 /nfs/dbraw/zinc/37/19/94/178371994.db2.gz MTLMIHYQOJKJPI-UHFFFAOYSA-N 1 0 260.106 2.380 10 0 CEAERO [NH3+]Cc1ccc(CC(=O)NCc2ccccc2)cc1 ZINC000083399501 178412141 /nfs/dbraw/zinc/41/21/41/178412141.db2.gz VSRHLDCFQJZLAR-UHFFFAOYSA-N 1 0 254.333 2.004 10 0 CEAERO [NH3+]CCCc1nnc(-c2ccc(F)c(F)c2F)o1 ZINC000083418890 178427025 /nfs/dbraw/zinc/42/70/25/178427025.db2.gz QZMLULWKNPPYHK-UHFFFAOYSA-N 1 0 257.215 2.045 10 0 CEAERO COc1ccc(Br)cc1[C@@H](C[NH3+])N(C)C ZINC000036894255 361867303 /nfs/dbraw/zinc/86/73/03/361867303.db2.gz AIFPIMPCTVMTPY-SNVBAGLBSA-N 1 0 273.174 2.019 10 0 CEAERO [NH3+]C1CCN(c2ccccc2Br)CC1 ZINC000037483487 361903199 /nfs/dbraw/zinc/90/31/99/361903199.db2.gz ZASHJQCJSFCXAF-UHFFFAOYSA-N 1 0 255.159 2.377 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[NH2+]C[C@H]2CCC[C@@H]21 ZINC000096958492 185141741 /nfs/dbraw/zinc/14/17/41/185141741.db2.gz BTGWYEQPIUAJIR-NEPJUHHUSA-N 1 0 254.374 2.386 10 0 CEAERO CC(C)(O)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000037693612 361923202 /nfs/dbraw/zinc/92/32/02/361923202.db2.gz CFALHXJXLYYVOJ-UHFFFAOYSA-N 1 0 268.788 2.233 10 0 CEAERO Clc1cccc(-n2cncc2[C@@H]2C[NH2+]CCO2)c1 ZINC000097007447 185150654 /nfs/dbraw/zinc/15/06/54/185150654.db2.gz SAELOINCBSPFOV-ZDUSSCGKSA-N 1 0 263.728 2.187 10 0 CEAERO CN(CC1CCCC1)C(=O)C1CCC(C[NH3+])CC1 ZINC000097031657 185154815 /nfs/dbraw/zinc/15/48/15/185154815.db2.gz IGQJCEWRLMYFKI-UHFFFAOYSA-N 1 0 252.402 2.400 10 0 CEAERO CC(C)[NH2+]Cc1cc2cccc3c2n(c1=O)CCC3 ZINC000039287210 361987912 /nfs/dbraw/zinc/98/79/12/361987912.db2.gz GAJAZXYYRJWQDT-UHFFFAOYSA-N 1 0 256.349 2.446 10 0 CEAERO CCC[C@@H]1CN(c2ccccc2C(=O)OC)CC[NH2+]1 ZINC000039952528 361990798 /nfs/dbraw/zinc/99/07/98/361990798.db2.gz OLVKNMTULPLAMS-GFCCVEGCSA-N 1 0 262.353 2.052 10 0 CEAERO C[C@@H]([NH3+])CC(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000261780597 539175329 /nfs/dbraw/zinc/17/53/29/539175329.db2.gz JOOKEQMRQUEVNZ-SFYZADRCSA-N 1 0 258.724 2.394 10 0 CEAERO [NH3+][C@@H]1C[C@@]12CNc1cc(Cl)c(Br)cc12 ZINC000725247204 539192239 /nfs/dbraw/zinc/19/22/39/539192239.db2.gz JZKHPJWYGMQCFK-ZJUUUORDSA-N 1 0 273.561 2.497 10 0 CEAERO C(c1noc2c1CCCC2)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177760969 542246615 /nfs/dbraw/zinc/24/66/15/542246615.db2.gz UXPXIMDIOFVVKS-CYBMUJFWSA-N 1 0 275.396 2.224 10 0 CEAERO CC[C@H](NC(=O)c1cccc2c1CC[NH2+]C2)C(C)C ZINC000124226102 539185548 /nfs/dbraw/zinc/18/55/48/539185548.db2.gz LTXVYMBIGVRITG-HNNXBMFYSA-N 1 0 260.381 2.497 10 0 CEAERO CC(C)(C)NC(=O)c1ccc(OC/C(=C/F)C[NH3+])cc1 ZINC000205731745 539186511 /nfs/dbraw/zinc/18/65/11/539186511.db2.gz OWNSXNXYELKDSO-DHZHZOJOSA-N 1 0 280.343 2.406 10 0 in-vitro CEAERO CCc1ccc([C@H](C)[NH2+]CC[C@H]2CCNC2=O)cc1 ZINC000395832098 539187657 /nfs/dbraw/zinc/18/76/57/539187657.db2.gz VMGMBTZAGQHCDO-WFASDCNBSA-N 1 0 260.381 2.426 10 0 CEAERO C[C@H]1C[C@H](C)CC([NH3+])(CNC(=O)NC2CCCC2)C1 ZINC000725255164 539201010 /nfs/dbraw/zinc/20/10/10/539201010.db2.gz UQJJVTMKXDOAEW-RYUDHWBXSA-N 1 0 267.417 2.382 10 0 CEAERO CC(C)(C)NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])CC1 ZINC000725262908 539211963 /nfs/dbraw/zinc/21/19/63/539211963.db2.gz RRXNSAQXUXXPEX-BDAKNGLRSA-N 1 0 281.322 2.096 10 0 CEAERO CCOC(=O)C1CC[NH+]([C@@H]2CC[C@H]3CC[C@@H]32)CC1 ZINC000725263965 539212495 /nfs/dbraw/zinc/21/24/95/539212495.db2.gz YEEPTVTZURRHCZ-KWCYVHTRSA-N 1 0 251.370 2.450 10 0 CEAERO C[C@@H](c1cnn(CC2CCC2)c1)N1CC[NH2+][C@@H](C)C1 ZINC000725264407 539212771 /nfs/dbraw/zinc/21/27/71/539212771.db2.gz LVCXTEAHTHFEDP-STQMWFEESA-N 1 0 262.401 2.038 10 0 CEAERO CCCS(=O)(=O)[C@@H]1CC[C@@H](C(C)C)C[C@@H]1C[NH3+] ZINC000725266017 539213395 /nfs/dbraw/zinc/21/33/95/539213395.db2.gz MMOSFESMRCRFHJ-JHJVBQTASA-N 1 0 261.431 2.211 10 0 CEAERO CC(C)(C)OC(=O)c1cccc([C@H]2CC[NH2+]C[C@@H]2N)c1 ZINC000725270905 539215236 /nfs/dbraw/zinc/21/52/36/539215236.db2.gz UYFYCCKTDJMKPO-KGLIPLIRSA-N 1 0 276.380 2.046 10 0 CEAERO C[C@H](C(=O)N1C[C@H](C)OC2(CC[NH2+]CC2)C1)C(C)(C)C ZINC000725272992 539215800 /nfs/dbraw/zinc/21/58/00/539215800.db2.gz XAEIMVAOZPVAGA-QWHCGFSZSA-N 1 0 282.428 2.038 10 0 CEAERO O[C@@H](COCc1ccccc1)C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000677731233 539260928 /nfs/dbraw/zinc/26/09/28/539260928.db2.gz IIPPUGTWURCYIW-CQSZACIVSA-N 1 0 297.345 2.295 10 0 CEAERO C[C@@H](NC(=O)CC1([NH3+])CC1)c1ccc(Cl)cc1 ZINC000398209452 539261183 /nfs/dbraw/zinc/26/11/83/539261183.db2.gz IPGDWQRUDOURFC-SECBINFHSA-N 1 0 252.745 2.399 10 0 CEAERO CC[N@@H+]1C[C@@H](C)[C@@H](NCc2ncc(Cl)s2)C1 ZINC000309667617 539272795 /nfs/dbraw/zinc/27/27/95/539272795.db2.gz UVIMGSGGFJVPMT-BDAKNGLRSA-N 1 0 259.806 2.226 10 0 CEAERO C[C@H](NC(=O)NCC[NH+](C)C)c1ccc(Cl)s1 ZINC000133432960 539272871 /nfs/dbraw/zinc/27/28/71/539272871.db2.gz CITRDRWGZYHTPN-QMMMGPOBSA-N 1 0 275.805 2.323 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000135586645 539288032 /nfs/dbraw/zinc/28/80/32/539288032.db2.gz PHBXIVGITNREGF-BLLLJJGKSA-N 1 0 278.371 2.123 10 0 CEAERO Cc1nc(C)c(CN2C[C@@H]3CCCC[N@H+]3C[C@H]2C)o1 ZINC000311863337 539286757 /nfs/dbraw/zinc/28/67/57/539286757.db2.gz SHIORJJYCXYFSW-RISCZKNCSA-N 1 0 263.385 2.350 10 0 CEAERO Oc1cccc([C@@H]2CN(Cc3cccnc3)CCO2)c1 ZINC000126560253 187247345 /nfs/dbraw/zinc/24/73/45/187247345.db2.gz IJDIXPZRBWTQBG-INIZCTEOSA-N 1 0 270.332 2.361 10 0 CEAERO [NH3+]C[C@@H](c1cc(Br)cs1)n1ccnc1 ZINC000043287863 362142451 /nfs/dbraw/zinc/14/24/51/362142451.db2.gz GZLIZTSQEBIQJL-QMMMGPOBSA-N 1 0 272.171 2.255 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCCC[C@H](SC)C2)C1 ZINC000126629531 187252530 /nfs/dbraw/zinc/25/25/30/187252530.db2.gz JHDJORZKTGSKLZ-KBPBESRZSA-N 1 0 299.484 2.398 10 0 CEAERO Cc1ccsc1CN1CC[C@@](C)(O)[C@H]([NH+]2CCCC2)C1 ZINC000097942670 539304120 /nfs/dbraw/zinc/30/41/20/539304120.db2.gz BMUPMOYFEIVYFA-HZPDHXFCSA-N 1 0 294.464 2.478 10 0 CEAERO O=C(C[NH2+]CCc1cccs1)NCc1ccccc1 ZINC000034937048 343421438 /nfs/dbraw/zinc/42/14/38/343421438.db2.gz UGZIQOCGQAHJBF-UHFFFAOYSA-N 1 0 274.389 2.197 10 0 CEAERO [NH3+]C1CCC(C(=O)N2CCc3ccccc3C2)CC1 ZINC000037623094 343430120 /nfs/dbraw/zinc/43/01/20/343430120.db2.gz PFUGQTNDOHYFBA-UHFFFAOYSA-N 1 0 258.365 2.089 10 0 CEAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CCN(CC3CC3)c3ccccc32)C1 ZINC000246221988 136388006 /nfs/dbraw/zinc/38/80/06/136388006.db2.gz GWZMGYZKDISDMY-LSDHHAIUSA-N 1 0 299.418 2.377 10 0 CEAERO OCC[C@H]1CC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000128038727 365772515 /nfs/dbraw/zinc/77/25/15/365772515.db2.gz RGSOQKRYIGZBDJ-CYBMUJFWSA-N 1 0 256.349 2.439 10 0 CEAERO COc1ccc(CN(C)C(=O)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000054291211 343587138 /nfs/dbraw/zinc/58/71/38/343587138.db2.gz QAAGLYZLPRPSJQ-AWEZNQCLSA-N 1 0 276.380 2.043 10 0 CEAERO CN(CCOc1ccccc1F)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054307753 343587439 /nfs/dbraw/zinc/58/74/39/343587439.db2.gz UISRCMYDSXMWTA-ZDUSSCGKSA-N 1 0 294.370 2.053 10 0 CEAERO CCc1ncnc(N[C@H]2CCC[N@@H+](CC)C2)c1F ZINC000179277432 529762385 /nfs/dbraw/zinc/76/23/85/529762385.db2.gz XXLVJUICQKTLTR-JTQLQIEISA-N 1 0 252.337 2.074 10 0 CEAERO CCC[C@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[NH+](C)C ZINC000128359958 365785556 /nfs/dbraw/zinc/78/55/56/365785556.db2.gz AJYBUAPKLGVKLG-CYBMUJFWSA-N 1 0 283.460 2.142 10 0 CEAERO CCc1nc(Cl)c(C)c(NCC[N@@H+](C)CC)n1 ZINC000128156470 187354620 /nfs/dbraw/zinc/35/46/20/187354620.db2.gz BRJSMZLXAVWFTD-UHFFFAOYSA-N 1 0 256.781 2.364 10 0 CEAERO CNc1cc(Nc2cccc(C[NH+](C)C)c2)ncn1 ZINC000113689332 344277335 /nfs/dbraw/zinc/27/73/35/344277335.db2.gz WJHYLESFKMXGEQ-UHFFFAOYSA-N 1 0 257.341 2.324 10 0 CEAERO CSCCCCNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000125994797 344321479 /nfs/dbraw/zinc/32/14/79/344321479.db2.gz LZSJCKZRVAUPJD-OAHLLOKOSA-N 1 0 294.464 2.419 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1OCc1ccc(Br)o1 ZINC000131336239 344357291 /nfs/dbraw/zinc/35/72/91/344357291.db2.gz CNKZFHXWCRIQAY-BDAKNGLRSA-N 1 0 260.131 2.439 10 0 CEAERO CCSCC[C@H](C)NC(=O)C1CCC([NH3+])CC1 ZINC000133342795 344368119 /nfs/dbraw/zinc/36/81/19/344368119.db2.gz FCBLPUIVHYJMFR-UNXYVOJBSA-N 1 0 258.431 2.152 10 0 CEAERO COc1cc(C[NH+](C)C)cc(Br)c1O ZINC000132505274 344363916 /nfs/dbraw/zinc/36/39/16/344363916.db2.gz FYCOVUGBAVLINZ-UHFFFAOYSA-N 1 0 260.131 2.225 10 0 CEAERO C[C@H](Cc1ccsc1)NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000136179360 344384080 /nfs/dbraw/zinc/38/40/80/344384080.db2.gz KJQVEDYQWPOIOI-RISCZKNCSA-N 1 0 266.410 2.328 10 0 CEAERO COc1ccc2c(c1)[C@@]13CCCO[C@H]1[C@@H](C2)[N@@H+](C)CC3 ZINC000146747789 344411111 /nfs/dbraw/zinc/41/11/11/344411111.db2.gz TZQGITNSDOYMEH-IKGGRYGDSA-N 1 0 273.376 2.372 10 0 CEAERO CCC[NH+]1CCC(CNC(=O)N[C@H](C)C(C)C)CC1 ZINC000157655404 344447762 /nfs/dbraw/zinc/44/77/62/344447762.db2.gz XCZYDTZAQXCNTK-CYBMUJFWSA-N 1 0 269.433 2.452 10 0 CEAERO CCOC(=O)CC[C@H]1CCC[N@H+](C[C@](C)(O)CC)C1 ZINC000162020353 344466289 /nfs/dbraw/zinc/46/62/89/344466289.db2.gz QLXVBJKLODGIKA-UKRRQHHQSA-N 1 0 271.401 2.203 10 0 CEAERO NC(=O)c1ccccc1[C@@H]1[NH2+]CCc2ccccc21 ZINC000165487976 344474476 /nfs/dbraw/zinc/47/44/76/344474476.db2.gz VAMDMRKHKPRFQT-OAHLLOKOSA-N 1 0 252.317 2.021 10 0 CEAERO O[C@H]1CC[NH2+]C[C@H]1Cc1cc(Br)cs1 ZINC000168240861 344479715 /nfs/dbraw/zinc/47/97/15/344479715.db2.gz BQHNASNPSKPEOY-XCBNKYQSSA-N 1 0 276.199 2.024 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)CCCc2ccccn2)C1 ZINC000170903791 344492583 /nfs/dbraw/zinc/49/25/83/344492583.db2.gz KRHMDVJIGATULA-OAHLLOKOSA-N 1 0 275.396 2.005 10 0 CEAERO CC(C)(C)OC(=O)[C@@H]1CCN(Cc2ccccc2)[C@@H]1C[NH3+] ZINC000204935516 344528134 /nfs/dbraw/zinc/52/81/34/344528134.db2.gz IOAGBFOCXFRONA-HUUCEWRRSA-N 1 0 290.407 2.178 10 0 CEAERO Cc1sc2ncnc(N3CC[C@@H]4C[NH2+]C[C@@H]43)c2c1C ZINC000209513209 344530593 /nfs/dbraw/zinc/53/05/93/344530593.db2.gz TZLWRQQHRDPVFR-MNOVXSKESA-N 1 0 274.393 2.106 10 0 CEAERO Cc1c(N)cccc1-c1ncc(C(N)=O)c2[nH]ccc21 ZINC000220885660 344539356 /nfs/dbraw/zinc/53/93/56/344539356.db2.gz XJWBEYZERRRZAX-UHFFFAOYSA-N 1 0 266.304 2.219 10 0 CEAERO CCCCCC[C@H](Nc1[nH+]ccc(N)c1N)[C@@H](C)O ZINC000225055768 344544670 /nfs/dbraw/zinc/54/46/70/344544670.db2.gz RYADNMYCMUWZJV-PWSUYJOCSA-N 1 0 266.389 2.378 10 0 CEAERO CCC[C@@H]1C[C@H]1NC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000226379790 344549708 /nfs/dbraw/zinc/54/97/08/344549708.db2.gz UHEKDEAUBOUZRT-BPLDGKMQSA-N 1 0 258.365 2.178 10 0 CEAERO Cc1ccc(C)c(S(=O)(=O)N(C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000226462965 344550343 /nfs/dbraw/zinc/55/03/43/344550343.db2.gz ZSUYQUNDVGJCPZ-CQSZACIVSA-N 1 0 296.436 2.066 10 0 CEAERO CCCCOC[C@H](O)C[NH2+]CC1C(C)(C)C1(C)C ZINC000227894244 344557522 /nfs/dbraw/zinc/55/75/22/344557522.db2.gz VUSQWXLPCINFGR-GFCCVEGCSA-N 1 0 257.418 2.436 10 0 CEAERO CCCCOC[C@@H](O)C[NH2+]CC1C(C)(C)C1(C)C ZINC000227894239 344557648 /nfs/dbraw/zinc/55/76/48/344557648.db2.gz VUSQWXLPCINFGR-LBPRGKRZSA-N 1 0 257.418 2.436 10 0 CEAERO COC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000229392022 344567399 /nfs/dbraw/zinc/56/73/99/344567399.db2.gz YAZCSUVLRBICKE-KGLIPLIRSA-N 1 0 281.396 2.363 10 0 CEAERO [NH3+][C@H](c1cscc1Br)c1cncnc1 ZINC000229832223 344568751 /nfs/dbraw/zinc/56/87/51/344568751.db2.gz YXJJTWGQNTZGSW-VIFPVBQESA-N 1 0 270.155 2.349 10 0 CEAERO Cc1[nH]c2ccc(C(=O)N3C[C@H]([NH3+])[C@@H](C)C3)cc2c1C ZINC000235691403 344592346 /nfs/dbraw/zinc/59/23/46/344592346.db2.gz AYPQOAWZRKVAII-XPTSAGLGSA-N 1 0 271.364 2.204 10 0 CEAERO Cc1cc(OC2C[NH2+]C2)cc(C)c1Br ZINC000235898732 344593328 /nfs/dbraw/zinc/59/33/28/344593328.db2.gz PFCWMMLGSXALBM-UHFFFAOYSA-N 1 0 256.143 2.417 10 0 CEAERO Cc1cn2c([nH+]1)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]12 ZINC000236046573 344593865 /nfs/dbraw/zinc/59/38/65/344593865.db2.gz CUVXARSSEWRYMN-NEPJUHHUSA-N 1 0 292.383 2.415 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@@H]1NC(=O)NCc1ccccc1 ZINC000232306471 344577367 /nfs/dbraw/zinc/57/73/67/344577367.db2.gz KTZOMFVHDAPQOV-KGLIPLIRSA-N 1 0 261.369 2.146 10 0 CEAERO CC(C)([NH3+])COc1ncc(Br)cc1F ZINC000232575213 344577785 /nfs/dbraw/zinc/57/77/85/344577785.db2.gz XYKUWGIGOBTMHN-UHFFFAOYSA-N 1 0 263.110 2.099 10 0 CEAERO CC[C@@H]([NH3+])[C@H](O)c1ccc(F)cc1Br ZINC000233887695 344582436 /nfs/dbraw/zinc/58/24/36/344582436.db2.gz JDCYQCUYYMQSLU-NXEZZACHSA-N 1 0 262.122 2.359 10 0 CEAERO COc1cccc(Cl)c1CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000234879875 344587563 /nfs/dbraw/zinc/58/75/63/344587563.db2.gz JHCUSGVWDIZUFX-NSHDSACASA-N 1 0 296.798 2.355 10 0 CEAERO CCn1c(C[NH2+][C@H]2CCCC[C@H]2O)nc2ccccc21 ZINC000052001695 362459205 /nfs/dbraw/zinc/45/92/05/362459205.db2.gz CUGVESSSZQJUNS-DZGCQCFKSA-N 1 0 273.380 2.449 10 0 CEAERO C[NH2+][C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000053204922 362487774 /nfs/dbraw/zinc/48/77/74/362487774.db2.gz GZAQWBYAMDUBTA-SNVBAGLBSA-N 1 0 259.275 2.289 10 0 CEAERO [NH3+]Cc1cc(Br)c(OC(F)(F)F)cn1 ZINC000238629591 344607103 /nfs/dbraw/zinc/60/71/03/344607103.db2.gz DEVDODARUBVGSB-UHFFFAOYSA-N 1 0 271.036 2.201 10 0 CEAERO CCCCO[C@@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]([NH3+])C2)C1(C)C ZINC000262656527 344655368 /nfs/dbraw/zinc/65/53/68/344655368.db2.gz ZFPZFLINGJWZDT-RFQIPJPRSA-N 1 0 282.428 2.214 10 0 CEAERO C[C@@H]([NH3+])[C@@H](C)Nc1nc(Br)cs1 ZINC000307146921 344720623 /nfs/dbraw/zinc/72/06/23/344720623.db2.gz OBKFWVWTVTWOID-RFZPGFLSSA-N 1 0 250.165 2.053 10 0 CEAERO [NH3+]C/C=C\c1cccc(I)c1 ZINC000307930910 344725263 /nfs/dbraw/zinc/72/52/63/344725263.db2.gz VELKGGCKDDJODS-RQOWECAXSA-N 1 0 259.090 2.263 10 0 CEAERO C[C@H]1CN(CCCOc2ccc(Cl)cc2)C[C@H]1[NH3+] ZINC000300088581 344698360 /nfs/dbraw/zinc/69/83/60/344698360.db2.gz OSYQOEHKLMLQCU-SMDDNHRTSA-N 1 0 268.788 2.388 10 0 CEAERO C[N@@H+]1CC[C@H](Oc2cc(N)cc(C(F)(F)F)c2)C1 ZINC000306083382 344711959 /nfs/dbraw/zinc/71/19/59/344711959.db2.gz JADIYJCBIDJEEN-JTQLQIEISA-N 1 0 260.259 2.371 10 0 CEAERO O[C@@H](c1sccc1Br)[C@H]1C=CC[NH2+]1 ZINC000306254316 344712530 /nfs/dbraw/zinc/71/25/30/344712530.db2.gz OAHHPMIISHSMLY-HTQZYQBOSA-N 1 0 260.156 2.072 10 0 CEAERO [NH3+]C1(c2nc3c(cccc3Br)[nH]2)CC1 ZINC000306234589 344712571 /nfs/dbraw/zinc/71/25/71/344712571.db2.gz JRVVXGWVHDKWKG-UHFFFAOYSA-N 1 0 252.115 2.273 10 0 CEAERO Cn1ncc([C@@H]([NH3+])C(C)(C)C)c1I ZINC000306728917 344716805 /nfs/dbraw/zinc/71/68/05/344716805.db2.gz CFIXRVHJSXCPNO-SSDOTTSWSA-N 1 0 293.152 2.071 10 0 CEAERO CCn1cnnc1[C@@H]1C[N@H+](C[C@@H]2CC=CCC2)CCO1 ZINC000328641739 344757076 /nfs/dbraw/zinc/75/70/76/344757076.db2.gz QTZVBBAWQOZKAU-KGLIPLIRSA-N 1 0 276.384 2.028 10 0 CEAERO C[NH2+]C[C@H]1CCCN1c1ncnc2sc(C)c(C)c21 ZINC000053703721 290730031 /nfs/dbraw/zinc/73/00/31/290730031.db2.gz CJISNNDSZLUZRF-LLVKDONJSA-N 1 0 276.409 2.496 10 0 CEAERO C[C@@H](CC1CCOCC1)[NH2+]C[C@H]1CCc2nccn2C1 ZINC000328622629 344755821 /nfs/dbraw/zinc/75/58/21/344755821.db2.gz BKJDGFAUVSXEIU-DZGCQCFKSA-N 1 0 277.412 2.240 10 0 CEAERO CC[C@H]1CN(c2nc(C)c(C#N)cc2Cl)CC[C@H]1[NH3+] ZINC000381912964 344825839 /nfs/dbraw/zinc/82/58/39/344825839.db2.gz TVNVKUKRTKNUFF-GXFFZTMASA-N 1 0 278.787 2.479 10 0 CEAERO Cc1cc(C)c(C[N@@H+]2CC[C@@H]3OCCN[C@H]3C2)c(C)c1 ZINC000404118367 344878198 /nfs/dbraw/zinc/87/81/98/344878198.db2.gz LXAOPEKLHYNWMC-IRXDYDNUSA-N 1 0 274.408 2.175 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1[S@](=O)c1ccc(F)cc1F ZINC000084032195 178773165 /nfs/dbraw/zinc/77/31/65/178773165.db2.gz ANYVSVBVWLLXAQ-BFCNOCSMSA-N 1 0 259.321 2.342 10 0 CEAERO CC[NH2+][C@@H](C[S@](=O)c1cc(F)ccc1F)C1CC1 ZINC000084037661 178776871 /nfs/dbraw/zinc/77/68/71/178776871.db2.gz ZLBRALKPQWZLRV-KPZWWZAWSA-N 1 0 273.348 2.461 10 0 CEAERO Cc1ccc(NC(=O)Cc2cccc3nccn32)cn1 ZINC000584605579 344963386 /nfs/dbraw/zinc/96/33/86/344963386.db2.gz VNBULOFPOWIQPF-UHFFFAOYSA-N 1 0 266.304 2.219 10 0 CEAERO O=C1N(c2nsc3ccccc32)CCC12CC[NH2+]CC2 ZINC000584624302 344967878 /nfs/dbraw/zinc/96/78/78/344967878.db2.gz TXHRRMKAUFKZLB-UHFFFAOYSA-N 1 0 287.388 2.403 10 0 CEAERO C[C@@H]1CCCC2(CC(=O)N(CCC[NH+](C)C)C(=O)C2)C1 ZINC000584631080 344969464 /nfs/dbraw/zinc/96/94/64/344969464.db2.gz RXTKEUVCFVFEEY-CYBMUJFWSA-N 1 0 280.412 2.284 10 0 CEAERO OC[C@@]1(C[C@@H]2CO2)CCC[N@H+](Cc2ccccc2)C1 ZINC000584882611 344996051 /nfs/dbraw/zinc/99/60/51/344996051.db2.gz RGFAXADQLOUVQL-HZPDHXFCSA-N 1 0 261.365 2.050 10 0 CEAERO CCNc1c(N)c[nH+]c2c(Cl)ccc(OC)c12 ZINC000584882406 344996553 /nfs/dbraw/zinc/99/65/53/344996553.db2.gz GAXMTMLZIRGQAD-UHFFFAOYSA-N 1 0 251.717 2.333 10 0 CEAERO C[NH2+]C[C@@H]1CCCN1c1ccc(Br)cn1 ZINC000053703596 362497378 /nfs/dbraw/zinc/49/73/78/362497378.db2.gz YPUHKTNNOXHIMT-JTQLQIEISA-N 1 0 270.174 2.032 10 0 CEAERO C[NH2+][C@H](C)C(=O)Nc1ccc(OC(C)C)cc1C ZINC000054074627 362509391 /nfs/dbraw/zinc/50/93/91/362509391.db2.gz VYYBBUPKIIWIMP-LLVKDONJSA-N 1 0 250.342 2.329 10 0 CEAERO C[C@@H]1CCCC[C@@H]1CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054292119 362523240 /nfs/dbraw/zinc/52/32/40/362523240.db2.gz HSAFKODWMLXJRT-HZSPNIEDSA-N 1 0 252.402 2.319 10 0 CEAERO COc1ccc([C@H](C)NC(=O)C[C@@H]2CCC[NH2+]C2)cc1F ZINC000054307260 362525718 /nfs/dbraw/zinc/52/57/18/362525718.db2.gz KPTYTWMCEDJVFU-RYUDHWBXSA-N 1 0 294.370 2.401 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)NCCc1ccc(Cl)cc1 ZINC000054308823 362526432 /nfs/dbraw/zinc/52/64/32/362526432.db2.gz SYEJAFTYHQUBAT-CYBMUJFWSA-N 1 0 280.799 2.388 10 0 CEAERO COc1ccc([C@H](C)[NH2+]Cc2cnc[nH]2)cc1OC ZINC000054765148 362538225 /nfs/dbraw/zinc/53/82/25/362538225.db2.gz ZCSWAZYBJRPQMN-JTQLQIEISA-N 1 0 261.325 2.278 10 0 CEAERO C[NH2+][C@@H](C[C@H]1CCS(=O)(=O)C1)c1cccc(C)c1C ZINC000097074901 185522555 /nfs/dbraw/zinc/52/25/55/185522555.db2.gz WWYLIRMEYVSFLP-HIFRSBDPSA-N 1 0 281.421 2.389 10 0 CEAERO [NH3+]Cc1ccccc1CS(=O)(=O)C1CCCC1 ZINC000084272507 178838861 /nfs/dbraw/zinc/83/88/61/178838861.db2.gz BUDBUZICXQCPIT-UHFFFAOYSA-N 1 0 253.367 2.003 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1S(=O)(=O)CC1CCCC1 ZINC000084272701 178839503 /nfs/dbraw/zinc/83/95/03/178839503.db2.gz FITWUBFBOYQLRZ-QWHCGFSZSA-N 1 0 259.415 2.109 10 0 CEAERO Cc1ccc(S(=O)(=O)[C@H]2CCC[C@H]2C[NH3+])cc1C ZINC000084268162 178835259 /nfs/dbraw/zinc/83/52/59/178835259.db2.gz VXGUYHWZIANGIR-JSGCOSHPSA-N 1 0 267.394 2.205 10 0 CEAERO COC(=O)c1cccnc1CN1CCC12CCCC2 ZINC000593039464 345427295 /nfs/dbraw/zinc/42/72/95/345427295.db2.gz SQSULJAGKHHFLC-UHFFFAOYSA-N 1 0 260.337 2.387 10 0 CEAERO COC[C@@H](C)C[C@H]([NH3+])c1cc(OC)ccc1OC ZINC000097137183 185543391 /nfs/dbraw/zinc/54/33/91/185543391.db2.gz CJXROJAMLJHVRA-GWCFXTLKSA-N 1 0 253.342 2.376 10 0 CEAERO CC[NH2+][C@H](C)C[C@@H](C)Sc1nnc(N(C)C)s1 ZINC000084360102 178868971 /nfs/dbraw/zinc/86/89/71/178868971.db2.gz MNNBBXJZJWXQHB-RKDXNWHRSA-N 1 0 274.459 2.473 10 0 CEAERO CC[NH2+][C@@H]1CC[C@H](S(=O)(=O)Cc2ccccc2C)C1 ZINC000084433926 178887600 /nfs/dbraw/zinc/88/76/00/178887600.db2.gz ZGERBLSYOAXFTA-CABCVRRESA-N 1 0 281.421 2.440 10 0 CEAERO C[NH2+][C@H]1CC[C@@H](Sc2ccc(S(C)(=O)=O)cc2)C1 ZINC000084436140 178888176 /nfs/dbraw/zinc/88/81/76/178888176.db2.gz RWHKOPMONZKQJP-CMPLNLGQSA-N 1 0 285.434 2.323 10 0 CEAERO CCCN(CCC)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000057870263 362597446 /nfs/dbraw/zinc/59/74/46/362597446.db2.gz SONAPYDATJWIHK-CYBMUJFWSA-N 1 0 255.406 2.302 10 0 CEAERO C[NH2+][C@H]1CCC[C@H](S(=O)(=O)c2ccc3c(c2)CCC3)C1 ZINC000084430067 178885976 /nfs/dbraw/zinc/88/59/76/178885976.db2.gz RJGOMYOMRQETRM-GJZGRUSLSA-N 1 0 293.432 2.480 10 0 CEAERO CCC[NH2+][C@@H]1CC[C@@H](S(=O)(=O)c2ccccc2)C1 ZINC000084432917 178887005 /nfs/dbraw/zinc/88/70/05/178887005.db2.gz FETRYXXOXGDYCC-TZMCWYRMSA-N 1 0 267.394 2.381 10 0 CEAERO [NH3+][C@H](CCc1ccc2c(c1)CCO2)c1ccnnc1 ZINC000097196961 185558627 /nfs/dbraw/zinc/55/86/27/185558627.db2.gz AURFBKBJQMLZEK-CQSZACIVSA-N 1 0 255.321 2.044 10 0 CEAERO Cc1cccc(CC(=O)N2CCC[C@@H]2CCC[NH3+])c1 ZINC000084622944 178905674 /nfs/dbraw/zinc/90/56/74/178905674.db2.gz YIBHAPZQIPBHDD-HNNXBMFYSA-N 1 0 260.381 2.267 10 0 CEAERO CC[NH2+]C[C@@](C)(O)Cc1cc(Cl)ccc1OC ZINC000097209985 185564677 /nfs/dbraw/zinc/56/46/77/185564677.db2.gz ABBMZVOWJQJEOA-ZDUSSCGKSA-N 1 0 257.761 2.252 10 0 CEAERO CCOCC[C@H](Cc1ccn([C@@H](C)CC)n1)[NH2+]C ZINC000097224882 185567763 /nfs/dbraw/zinc/56/77/63/185567763.db2.gz OCOBHTMFVURVHH-QWHCGFSZSA-N 1 0 253.390 2.411 10 0 CEAERO Cc1ccc(O)c(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000155440010 232233515 /nfs/dbraw/zinc/23/35/15/232233515.db2.gz YPTJWHDBPDEHCN-GXTWGEPZSA-N 1 0 276.380 2.159 10 0 CEAERO C[NH2+][C@H](Cc1cc(C)nn1C)[C@@]1(C)CCCS1 ZINC000097273433 185575361 /nfs/dbraw/zinc/57/53/61/185575361.db2.gz BXHKTNBDUJGYQO-CHWSQXEVSA-N 1 0 253.415 2.145 10 0 CEAERO CC[NH2+][C@H](CCC[C@H]1CCCO1)c1ccnn1C ZINC000097233878 185569940 /nfs/dbraw/zinc/56/99/40/185569940.db2.gz QYQKTDVUCCLYNQ-QWHCGFSZSA-N 1 0 251.374 2.420 10 0 CEAERO Cc1nn(C)c(C[C@H]([NH3+])CCc2ccco2)c1Cl ZINC000097273796 185576000 /nfs/dbraw/zinc/57/60/00/185576000.db2.gz VWECRQHUCRXSAJ-SNVBAGLBSA-N 1 0 267.760 2.478 10 0 CEAERO Cc1nn(C)c(C[C@H]([NH3+])COC(C)(C)C)c1Cl ZINC000097273814 185576120 /nfs/dbraw/zinc/57/61/20/185576120.db2.gz HPTVUUOFAGLMCY-VIFPVBQESA-N 1 0 259.781 2.067 10 0 CEAERO CCn1nc(C)c(Cl)c1C[C@H]([NH3+])C[C@H](C)COC ZINC000097276404 185576359 /nfs/dbraw/zinc/57/63/59/185576359.db2.gz QAJWMSIMBLIBHK-GXSJLCMTSA-N 1 0 273.808 2.407 10 0 CEAERO CC[NH2+][C@@H](Cc1cc(CC)nn1C)[C@H]1CCSC1 ZINC000097276930 185576670 /nfs/dbraw/zinc/57/66/70/185576670.db2.gz NBCUIRMUHYWUSD-FZMZJTMJSA-N 1 0 267.442 2.256 10 0 CEAERO CCc1nn(C)c(C[C@@H]([NH3+])[C@@H]2CCSC2)c1Cl ZINC000097276269 185576728 /nfs/dbraw/zinc/57/67/28/185576728.db2.gz ZVMGWFHWDKVLFH-RKDXNWHRSA-N 1 0 273.833 2.259 10 0 CEAERO CC[NH2+][C@@H](Cc1ncnn1C)c1cccc2cccnc21 ZINC000097275400 185576973 /nfs/dbraw/zinc/57/69/73/185576973.db2.gz XTSRGUOXPLGKHC-AWEZNQCLSA-N 1 0 281.363 2.257 10 0 CEAERO CC[NH2+][C@H](Cc1ccncc1)c1cc(CC)nn1C ZINC000097278152 185577380 /nfs/dbraw/zinc/57/73/80/185577380.db2.gz AOMQKHBNKGRVRX-CQSZACIVSA-N 1 0 258.369 2.271 10 0 CEAERO Cn1nc(C[C@H]([NH3+])COC(C)(C)C)c2ccccc21 ZINC000097279311 185577473 /nfs/dbraw/zinc/57/74/73/185577473.db2.gz OYFUAJIDKAXKLN-NSHDSACASA-N 1 0 261.369 2.258 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccncc1)c1cnn(C)c1C ZINC000097277842 185577659 /nfs/dbraw/zinc/57/76/59/185577659.db2.gz IAKVCQZDEMDTGU-HNNXBMFYSA-N 1 0 258.369 2.407 10 0 CEAERO CS(=O)(=O)CCC[C@@H]([NH3+])CSc1ccc(F)cc1 ZINC000097329843 185585444 /nfs/dbraw/zinc/58/54/44/185585444.db2.gz KDMGNYBXOHZAHC-LLVKDONJSA-N 1 0 291.413 2.070 10 0 CEAERO CCn1nc(C)cc1[C@H]([NH3+])[C@@H]1CCOC2(CCOCC2)C1 ZINC000097310929 185583285 /nfs/dbraw/zinc/58/32/85/185583285.db2.gz PBZZOEXMVYWXSV-UKRRQHHQSA-N 1 0 293.411 2.187 10 0 CEAERO CCOCCC[C@@H]([NH2+]C)[C@H]1CCOC2(CCOCC2)C1 ZINC000097310780 185583314 /nfs/dbraw/zinc/58/33/14/185583314.db2.gz DSPJQEUGRRLZOD-LSDHHAIUSA-N 1 0 285.428 2.367 10 0 CEAERO [NH3+][C@H](CCc1ccncc1)Cc1cn2ccsc2n1 ZINC000097350134 185588253 /nfs/dbraw/zinc/58/82/53/185588253.db2.gz IIHVLJRZIYWTRC-GFCCVEGCSA-N 1 0 272.377 2.293 10 0 CEAERO COCc1cccc(NC(=O)c2c[nH+]ccc2N)c1 ZINC000127499277 187310667 /nfs/dbraw/zinc/31/06/67/187310667.db2.gz VNBWMZAFJNNXCX-UHFFFAOYSA-N 1 0 257.293 2.063 10 0 CEAERO C[C@@H]1CC[C@H](NC(=O)C[C@@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000085058756 178944890 /nfs/dbraw/zinc/94/48/90/178944890.db2.gz OEDNXLIWIGMTQK-RFGFWPKPSA-N 1 0 252.402 2.317 10 0 CEAERO CC[NH2+][C@@H](c1cc(C)nn1C)c1ccc2c(c1)CCO2 ZINC000097391318 185597622 /nfs/dbraw/zinc/59/76/22/185597622.db2.gz BXDPXFSSYPUSMR-MRXNPFEDSA-N 1 0 271.364 2.362 10 0 CEAERO C[NH2+][C@@H](COC(C)C)Cc1cccc(OC)c1F ZINC000097415295 185598710 /nfs/dbraw/zinc/59/87/10/185598710.db2.gz LXTYBMBMXOCPKY-GFCCVEGCSA-N 1 0 255.333 2.390 10 0 CEAERO COCCOc1ccccc1[C@@H]([NH3+])[C@H]1CCSC1 ZINC000097415214 185598856 /nfs/dbraw/zinc/59/88/56/185598856.db2.gz MCTZTFHEYPBWJV-FZMZJTMJSA-N 1 0 267.394 2.465 10 0 CEAERO C[C@H]1CC[C@@H](NC(=O)C[C@@H]2CCCC[NH2+]2)C[C@@H]1C ZINC000085060443 178945106 /nfs/dbraw/zinc/94/51/06/178945106.db2.gz QTBLLTOXAFSTCS-XDQVBPFNSA-N 1 0 252.402 2.460 10 0 CEAERO CC(C)C[NH2+][C@]1(C(N)=O)CCC[C@@H](C(F)(F)F)C1 ZINC000085130571 178953078 /nfs/dbraw/zinc/95/30/78/178953078.db2.gz WNQVBGDTFUKQFG-MWLCHTKSSA-N 1 0 266.307 2.209 10 0 CEAERO COC(=O)C[C@@H](C[NH3+])c1ccccc1C(F)(F)F ZINC000097430364 185601538 /nfs/dbraw/zinc/60/15/38/185601538.db2.gz QTWANXHVQSUYCD-QMMMGPOBSA-N 1 0 261.243 2.311 10 0 CEAERO FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1COCCO1 ZINC000085133522 178954834 /nfs/dbraw/zinc/95/48/34/178954834.db2.gz YZLHSKYWFKTIGK-MXWKQRLJSA-N 1 0 267.291 2.113 10 0 CEAERO FC(F)(F)[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1COCCO1 ZINC000085133527 178955013 /nfs/dbraw/zinc/95/50/13/178955013.db2.gz YZLHSKYWFKTIGK-OUAUKWLOSA-N 1 0 267.291 2.113 10 0 CEAERO CC(C)c1ccc([C@@H](O)C[NH2+]C[C@@H](C)CCO)cc1 ZINC000097441707 185605059 /nfs/dbraw/zinc/60/50/59/185605059.db2.gz MLYDAYZLKKCBAG-BBRMVZONSA-N 1 0 265.397 2.452 10 0 CEAERO CC[C@H]([NH3+])[C@H](SC[C@@H](C)CO)c1ccccn1 ZINC000097459362 185609527 /nfs/dbraw/zinc/60/95/27/185609527.db2.gz UCYASIPQPKVZNM-GVXVVHGQSA-N 1 0 254.399 2.222 10 0 CEAERO [NH3+]Cc1ccc(F)cc1CS(=O)(=O)CC1CCCC1 ZINC000085149483 178959580 /nfs/dbraw/zinc/95/95/80/178959580.db2.gz NHQWQVRUXFBZHS-UHFFFAOYSA-N 1 0 285.384 2.389 10 0 CEAERO Cc1cccc(N(C)CC[C@@H](CO)[NH2+]C(C)C)c1 ZINC000085214298 178978577 /nfs/dbraw/zinc/97/85/77/178978577.db2.gz IWHAZPUSYUGRIN-AWEZNQCLSA-N 1 0 250.386 2.180 10 0 CEAERO Cc1nc2ccccc2nc1N1C[C@@H](C)C[C@H]([NH3+])C1 ZINC000094553685 136514040 /nfs/dbraw/zinc/51/40/40/136514040.db2.gz MZEAZVNPELNZFQ-JQWIXIFHSA-N 1 0 256.353 2.112 10 0 CEAERO CC[NH2+][C@](C)(CO)CCN(C)c1ccc(C)cc1C ZINC000085215160 178979062 /nfs/dbraw/zinc/97/90/62/178979062.db2.gz MWOLTCDLWMUQHO-INIZCTEOSA-N 1 0 264.413 2.490 10 0 CEAERO C[C@@H]([NH3+])c1ccnc(N2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000094999282 136515449 /nfs/dbraw/zinc/51/54/49/136515449.db2.gz RLUPXSIFQGSVAB-XBFCOCLRSA-N 1 0 261.369 2.249 10 0 CEAERO NN[C@H](CC[C@H]1CCCO1)C1([NH+]2CCCC2)CCCC1 ZINC000097588307 185633361 /nfs/dbraw/zinc/63/33/61/185633361.db2.gz CXAHZMXLQRSLGL-HUUCEWRRSA-N 1 0 281.444 2.186 10 0 CEAERO CC[NH2+][C@](C)(CO)CCCn1ncc2ccccc21 ZINC000085262640 178992025 /nfs/dbraw/zinc/99/20/25/178992025.db2.gz GRINEFNZPMSQIX-HNNXBMFYSA-N 1 0 261.369 2.177 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)COc1ccc2c(c1)CCC2 ZINC000085282531 179000164 /nfs/dbraw/zinc/00/01/64/179000164.db2.gz DCRSIKMEJNDOQD-INIZCTEOSA-N 1 0 263.381 2.303 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCOc1ccc2c(c1)CCC2 ZINC000085282563 179000297 /nfs/dbraw/zinc/00/02/97/179000297.db2.gz KHZZBTUSMHORCW-MRXNPFEDSA-N 1 0 263.381 2.305 10 0 CEAERO C[NH2+][C@@H](CO)CCOc1ccccc1C(F)(F)F ZINC000085282991 179000741 /nfs/dbraw/zinc/00/07/41/179000741.db2.gz QJAPQCNCQPHJAG-SECBINFHSA-N 1 0 263.259 2.055 10 0 CEAERO CC[NH2+][C@@](C)(CO)C[C@H](C)Oc1ccc(F)cc1F ZINC000085283054 179000786 /nfs/dbraw/zinc/00/07/86/179000786.db2.gz IVFFXZWFECJDEJ-IINYFYTJSA-N 1 0 273.323 2.483 10 0 CEAERO C[NH2+][C@@H](CO)COc1ccccc1-c1ccccc1 ZINC000085283134 179000851 /nfs/dbraw/zinc/00/08/51/179000851.db2.gz CPJHQGXFWFTPQZ-AWEZNQCLSA-N 1 0 257.333 2.313 10 0 CEAERO CCC[NH2+][C@@H](CO)CCOc1c(C)cccc1C ZINC000085283170 179001011 /nfs/dbraw/zinc/00/10/11/179001011.db2.gz OZBVUGOEJSVMCI-CQSZACIVSA-N 1 0 251.370 2.433 10 0 CEAERO CC[NH2+][C@H](CO)CCOc1ccccc1C(F)(F)F ZINC000085282956 179001090 /nfs/dbraw/zinc/00/10/90/179001090.db2.gz AUZNWHSZNCZDTC-JTQLQIEISA-N 1 0 277.286 2.445 10 0 CEAERO C[NH2+][C@@H](CO)CCOc1cc(C)ccc1C(C)C ZINC000085284236 179002008 /nfs/dbraw/zinc/00/20/08/179002008.db2.gz OCEBVBGFWURHGZ-CYBMUJFWSA-N 1 0 251.370 2.468 10 0 CEAERO CCC[NH2+][C@@](C)(CO)COc1ccc(CC)cc1 ZINC000085284151 179002340 /nfs/dbraw/zinc/00/23/40/179002340.db2.gz KPYLHHXUPVZURP-HNNXBMFYSA-N 1 0 251.370 2.378 10 0 CEAERO C[NH2+][C@](CO)(COc1cc(C)cc(C)c1C)C1CC1 ZINC000085286056 179003855 /nfs/dbraw/zinc/00/38/55/179003855.db2.gz RNNMIUFMEVGCKQ-MRXNPFEDSA-N 1 0 263.381 2.351 10 0 CEAERO CC[C@H]1CCC[C@@H](OCC[C@@H](CO)[NH2+]C2CC2)C1 ZINC000085287422 179004626 /nfs/dbraw/zinc/00/46/26/179004626.db2.gz DLQZQSIAZKGWQO-AEGPPILISA-N 1 0 255.402 2.475 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)CCOc1ccc(F)c(F)c1 ZINC000085286795 179004809 /nfs/dbraw/zinc/00/48/09/179004809.db2.gz DSXZJFJZACJFIT-CQSZACIVSA-N 1 0 273.323 2.483 10 0 CEAERO C[NH2+][C@](C)(CO)C[C@@H](C)Sc1nc2ccccc2[nH]1 ZINC000085291717 179007112 /nfs/dbraw/zinc/00/71/12/179007112.db2.gz PRMMVUWMVXIGSD-YGRLFVJLSA-N 1 0 279.409 2.404 10 0 CEAERO CC[NH2+][C@@](C)(CO)CSc1ccc(OC)cc1 ZINC000085291964 179007564 /nfs/dbraw/zinc/00/75/64/179007564.db2.gz PWMWLGVQAGOZMC-ZDUSSCGKSA-N 1 0 255.383 2.148 10 0 CEAERO Cc1nnc(SCCC[C@@](C)(CO)[NH2+]C(C)C)s1 ZINC000085297079 179008229 /nfs/dbraw/zinc/00/82/29/179008229.db2.gz FSGVUCBCTDIBNG-LBPRGKRZSA-N 1 0 289.470 2.468 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCOc1ccc(C)c(C)c1 ZINC000085284714 179002853 /nfs/dbraw/zinc/00/28/53/179002853.db2.gz MRZLKNJBZJQPHV-OAHLLOKOSA-N 1 0 251.370 2.433 10 0 CEAERO CC[N@H+](C[C@](O)(CN)c1ccccc1)C1CCCC1 ZINC000085300150 179010613 /nfs/dbraw/zinc/01/06/13/179010613.db2.gz FZDATNZGDSLETO-MRXNPFEDSA-N 1 0 262.397 2.097 10 0 CEAERO Cc1ccccc1N(C)CCCC[C@](C)(O)C[NH3+] ZINC000085303565 179011223 /nfs/dbraw/zinc/01/12/23/179011223.db2.gz QJFSPWVMNPFMMX-HNNXBMFYSA-N 1 0 250.386 2.311 10 0 CEAERO C[C@H](C[C@](C)(O)C[NH3+])n1ccnc1-c1cccs1 ZINC000085304870 179011836 /nfs/dbraw/zinc/01/18/36/179011836.db2.gz BAVICYURKGTYHV-MFKMUULPSA-N 1 0 265.382 2.272 10 0 CEAERO CC(C)CCCOC[C@@](O)(C[NH3+])c1ccccc1 ZINC000085305780 179011899 /nfs/dbraw/zinc/01/18/99/179011899.db2.gz KFOZSXOIWPGUFE-HNNXBMFYSA-N 1 0 251.370 2.286 10 0 CEAERO Cc1ccc(OCC[C@H](O)C[NH3+])c(C(C)(C)C)c1 ZINC000085306441 179012873 /nfs/dbraw/zinc/01/28/73/179012873.db2.gz IGNBRRZWNFYNHR-LBPRGKRZSA-N 1 0 251.370 2.381 10 0 CEAERO Cc1ccc2[nH]c(S[C@@H](C)C[C@@](C)(O)C[NH3+])nc2c1 ZINC000085307953 179013199 /nfs/dbraw/zinc/01/31/99/179013199.db2.gz YIAKWNFTSQJLTA-IINYFYTJSA-N 1 0 279.409 2.452 10 0 CEAERO COc1ccc(Cl)cc1NC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085356300 179030451 /nfs/dbraw/zinc/03/04/51/179030451.db2.gz ZECONNRCABXQIY-UWVGGRQHSA-N 1 0 268.744 2.415 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1c(F)cccc1F ZINC000085357979 179031236 /nfs/dbraw/zinc/03/12/36/179031236.db2.gz AJUJAHLFZMCUQV-KWQFWETISA-N 1 0 254.280 2.421 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)NCc1cccc(Cl)c1 ZINC000085358402 179031385 /nfs/dbraw/zinc/03/13/85/179031385.db2.gz YTQPGNHNBXJTKN-RYUDHWBXSA-N 1 0 252.745 2.084 10 0 CEAERO COc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[C@@H]2[NH3+])c(OC)c1 ZINC000085360059 179032396 /nfs/dbraw/zinc/03/23/96/179032396.db2.gz MTGYNWNDROFFEC-HONMWMINSA-N 1 0 292.379 2.008 10 0 CEAERO COC(=O)c1ccc(C)c(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000085360559 179032408 /nfs/dbraw/zinc/03/24/08/179032408.db2.gz UEBVADTWSVQWCU-CHWSQXEVSA-N 1 0 290.363 2.238 10 0 CEAERO COC(=O)c1cc(NC(=O)[C@H]2CCC[C@H]2[NH3+])ccc1Cl ZINC000085359880 179032424 /nfs/dbraw/zinc/03/24/24/179032424.db2.gz KLRAGIIUIAYHKX-JOYOIKCWSA-N 1 0 296.754 2.193 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)Nc1cccnc1N1CCCC1 ZINC000085360225 179032512 /nfs/dbraw/zinc/03/25/12/179032512.db2.gz CYLWZTIJFXKHIT-QWHCGFSZSA-N 1 0 288.395 2.138 10 0 CEAERO COC(=O)c1cc(F)ccc1NC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085364890 179035955 /nfs/dbraw/zinc/03/59/55/179035955.db2.gz FZSIVPGEOQFWAC-ZYHUDNBSSA-N 1 0 294.326 2.068 10 0 CEAERO CCN(CC)c1ccc(NC(=O)[C@H]2CCCC[C@H]2[NH3+])cn1 ZINC000085361999 179033772 /nfs/dbraw/zinc/03/37/72/179033772.db2.gz ZJMCKMPZVBLCLH-UONOGXRCSA-N 1 0 290.411 2.384 10 0 CEAERO Cc1cc(-c2nnco2)ccc1NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085364902 179035988 /nfs/dbraw/zinc/03/59/88/179035988.db2.gz MNMXYMVTDPTXGB-NEPJUHHUSA-N 1 0 286.335 2.111 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000085364597 179035442 /nfs/dbraw/zinc/03/54/42/179035442.db2.gz SMSMHZXFYBVUMD-CABCVRRESA-N 1 0 273.380 2.353 10 0 CEAERO CCOc1cc(F)ccc1NC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085364413 179035493 /nfs/dbraw/zinc/03/54/93/179035493.db2.gz QUDAPJKZYDZYDT-GHMZBOCLSA-N 1 0 266.316 2.290 10 0 CEAERO COC(=O)c1ccc(F)cc1NC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085364859 179036083 /nfs/dbraw/zinc/03/60/83/179036083.db2.gz VSPIDPYOVQWRIA-ZYHUDNBSSA-N 1 0 294.326 2.068 10 0 CEAERO CC(C)c1noc(-c2cccnc2N2CCC[NH2+]CC2)n1 ZINC000085346121 179028964 /nfs/dbraw/zinc/02/89/64/179028964.db2.gz WWHWRLGVGIEGJS-UHFFFAOYSA-N 1 0 287.367 2.055 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000085364640 179036109 /nfs/dbraw/zinc/03/61/09/179036109.db2.gz ZKWQFZBMKFYMDK-STQMWFEESA-N 1 0 260.337 2.078 10 0 CEAERO COc1ccc(CN(C)C(=O)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000085366427 179036962 /nfs/dbraw/zinc/03/69/62/179036962.db2.gz PZTCIEFWYVTVJL-GJZGRUSLSA-N 1 0 276.380 2.171 10 0 CEAERO CN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085366691 179037028 /nfs/dbraw/zinc/03/70/28/179037028.db2.gz KBDYRYRQZLPOAV-CHWSQXEVSA-N 1 0 266.772 2.426 10 0 CEAERO CCN(Cc1ccc(OC)c(F)c1)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085366998 179037106 /nfs/dbraw/zinc/03/71/06/179037106.db2.gz VBQVRNMSZBQPJV-OCCSQVGLSA-N 1 0 294.370 2.310 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)N(Cc1cccnc1)C1CC1 ZINC000085367235 179037490 /nfs/dbraw/zinc/03/74/90/179037490.db2.gz DLLABNTYUHQANI-LSDHHAIUSA-N 1 0 273.380 2.090 10 0 CEAERO COc1ccc(CN(C(=O)[C@H]2CCC[C@H]2[NH3+])C2CC2)cc1 ZINC000085367193 179037809 /nfs/dbraw/zinc/03/78/09/179037809.db2.gz URLGTHWSKMKFRD-JKSUJKDBSA-N 1 0 288.391 2.314 10 0 CEAERO C[C@@H](c1cccs1)N(C)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085369134 179038506 /nfs/dbraw/zinc/03/85/06/179038506.db2.gz SXDAXGLJLRDSOH-DCAQKATOSA-N 1 0 252.383 2.395 10 0 CEAERO C[NH+](C)CCn1ncc(Cl)c1[C@@H](NN)C1(C)CCCC1 ZINC000097783605 185668253 /nfs/dbraw/zinc/66/82/53/185668253.db2.gz RQURWUTUDNPKLK-CYBMUJFWSA-N 1 0 299.850 2.183 10 0 CEAERO CCOC(=O)c1cccc(NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000085371887 179041720 /nfs/dbraw/zinc/04/17/20/179041720.db2.gz NCXAAYVMIIMXEQ-KGLIPLIRSA-N 1 0 290.363 2.319 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)NCc1ccccc1OC(F)F ZINC000085371959 179041853 /nfs/dbraw/zinc/04/18/53/179041853.db2.gz VTVWOQBWCXSGLY-NEPJUHHUSA-N 1 0 298.333 2.422 10 0 CEAERO CC(C)Oc1ncccc1NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085372308 179042218 /nfs/dbraw/zinc/04/22/18/179042218.db2.gz FRGDDCIIDFIABD-RYUDHWBXSA-N 1 0 277.368 2.325 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)NCc1ccc(F)cc1F ZINC000085373843 179042694 /nfs/dbraw/zinc/04/26/94/179042694.db2.gz VVLJJDQXVYGIFT-AAEUAGOBSA-N 1 0 268.307 2.099 10 0 CEAERO CN(C(=O)[C@@H]1CCCC[C@H]1[NH3+])c1ccc(F)cc1 ZINC000085373401 179042714 /nfs/dbraw/zinc/04/27/14/179042714.db2.gz ILQFWZDPPVVILV-CHWSQXEVSA-N 1 0 250.317 2.306 10 0 CEAERO CN(C(=O)[C@@H]1CCCC[C@H]1[NH3+])c1cccc(F)c1 ZINC000085373593 179042836 /nfs/dbraw/zinc/04/28/36/179042836.db2.gz UEWYELPRJKGJOC-CHWSQXEVSA-N 1 0 250.317 2.306 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)NCc1ccc(F)cc1F ZINC000085373841 179042837 /nfs/dbraw/zinc/04/28/37/179042837.db2.gz VVLJJDQXVYGIFT-YPMHNXCESA-N 1 0 268.307 2.099 10 0 CEAERO C[C@H](CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000085374649 179043234 /nfs/dbraw/zinc/04/32/34/179043234.db2.gz NQEAGNXPKGTTRP-YUELXQCFSA-N 1 0 260.381 2.424 10 0 CEAERO C[C@H](CCNC(=O)[C@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000085374654 179043249 /nfs/dbraw/zinc/04/32/49/179043249.db2.gz NQEAGNXPKGTTRP-SNPRPXQTSA-N 1 0 260.381 2.424 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](CC(C)C)C(=O)N(C)C)C1(C)C ZINC000085381558 179045688 /nfs/dbraw/zinc/04/56/88/179045688.db2.gz FLFHLRRNBVJEEF-BFHYXJOUSA-N 1 0 284.444 2.283 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000085366118 179036558 /nfs/dbraw/zinc/03/65/58/179036558.db2.gz AUSBKTDKSJQUIS-OCCSQVGLSA-N 1 0 291.370 2.492 10 0 CEAERO C[NH2+]C[C@H](C)c1ccc(COc2cnn(C)c2)cc1 ZINC000097811531 185670616 /nfs/dbraw/zinc/67/06/16/185670616.db2.gz ZQYFWMKUIGZRPO-LBPRGKRZSA-N 1 0 259.353 2.322 10 0 CEAERO C[NH2+][C@@H](C)c1cccc(N2C(=O)[C@@H]3[C@H](C2=O)C3(C)C)c1 ZINC000085405202 179054173 /nfs/dbraw/zinc/05/41/73/179054173.db2.gz ZICSLRGCPWZXJS-TVYUQYBPSA-N 1 0 272.348 2.112 10 0 CEAERO CC(C)(C)[C@@H]1CN(CCCOCC(F)(F)F)CC[NH2+]1 ZINC000085434975 179060921 /nfs/dbraw/zinc/06/09/21/179060921.db2.gz UVVYUOJAAOLUGL-NSHDSACASA-N 1 0 282.350 2.275 10 0 CEAERO CCC1(CC)CN(CCOCC(F)(F)F)CC[NH2+]1 ZINC000085435278 179061745 /nfs/dbraw/zinc/06/17/45/179061745.db2.gz IHQRZBZGKDVUQG-UHFFFAOYSA-N 1 0 268.323 2.029 10 0 CEAERO CCC[C@@H]1CN(Cc2cnn(C)c2)[C@@](C)(CC)C[NH2+]1 ZINC000085466162 179071658 /nfs/dbraw/zinc/07/16/58/179071658.db2.gz USIRBXJWIZGREW-CABCVRRESA-N 1 0 264.417 2.163 10 0 CEAERO CCC[C@@H]1CN(C[C@@H]2CCCO2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085466436 179071664 /nfs/dbraw/zinc/07/16/64/179071664.db2.gz WVCWDQMFDBLZMU-OWCLPIDISA-N 1 0 266.429 2.408 10 0 CEAERO CN(CC[NH2+]C(C)(C)C)c1ncncc1Br ZINC000085468168 179073182 /nfs/dbraw/zinc/07/31/82/179073182.db2.gz ZXPDNJPPELWTDS-UHFFFAOYSA-N 1 0 287.205 2.063 10 0 CEAERO CCC[C@H]1C[NH2+][C@@H](C(C)C)CN1C[C@@H]1CCCO1 ZINC000085450769 179065031 /nfs/dbraw/zinc/06/50/31/179065031.db2.gz BUCCOMIDNAFLDD-SOUVJXGZSA-N 1 0 254.418 2.264 10 0 CEAERO CC[C@H](C)[C@@H]1CN(Cc2ccn(C(C)C)n2)CC[NH2+]1 ZINC000085450014 179065307 /nfs/dbraw/zinc/06/53/07/179065307.db2.gz WCQNTNLQHSVMTO-ZFWWWQNUSA-N 1 0 264.417 2.284 10 0 CEAERO c1ccc(OCCN2CC[NH2+]CC23CCCC3)cc1 ZINC000085452221 179066468 /nfs/dbraw/zinc/06/64/68/179066468.db2.gz OLWOOSIODNLQCO-UHFFFAOYSA-N 1 0 260.381 2.283 10 0 CEAERO C[C@H]1CN(CCOc2ccccc2)[C@H](C2CC2)C[NH2+]1 ZINC000085453667 179066834 /nfs/dbraw/zinc/06/68/34/179066834.db2.gz FEAMGPFSNGDIDN-BBRMVZONSA-N 1 0 260.381 2.138 10 0 CEAERO CC(C)CCOCCN1CC[NH2+]C[C@@H]1CC(C)C ZINC000085453004 179066913 /nfs/dbraw/zinc/06/69/13/179066913.db2.gz MNNSIHVORXFTIS-HNNXBMFYSA-N 1 0 256.434 2.369 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@@H](C)CN1Cc1ccn(C(C)C)n1 ZINC000085453645 179067318 /nfs/dbraw/zinc/06/73/18/179067318.db2.gz AZEXKXUSPZUATQ-ZFWWWQNUSA-N 1 0 264.417 2.282 10 0 CEAERO CC[C@@H]1CN(Cc2cnn(C)c2)C(CC)(CC)C[NH2+]1 ZINC000085474767 179079064 /nfs/dbraw/zinc/07/90/64/179079064.db2.gz MBRSVYLDOCMNQQ-CQSZACIVSA-N 1 0 264.417 2.163 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1CNc1ncncc1Br ZINC000085480806 179080114 /nfs/dbraw/zinc/08/01/14/179080114.db2.gz IMKWUXZVIIKKMB-WCBMZHEXSA-N 1 0 285.189 2.169 10 0 CEAERO CC(C)C[C@@H]1CN(CCOCC(F)(F)F)[C@@H](C)C[NH2+]1 ZINC000085486872 179081194 /nfs/dbraw/zinc/08/11/94/179081194.db2.gz KFBZCRYILXWFDH-NWDGAFQWSA-N 1 0 282.350 2.274 10 0 CEAERO CCC[C@@H]1C[NH2+][C@H]([C@@H](C)CC)CN1[C@@H]1CCOC1 ZINC000085491134 179081518 /nfs/dbraw/zinc/08/15/18/179081518.db2.gz RFZGLTXLJDZTNP-YJNKXOJESA-N 1 0 254.418 2.264 10 0 CEAERO CCC[C@H]1C[NH2+][C@H](Cc2ccccc2)CN1CCOC ZINC000085489460 179081584 /nfs/dbraw/zinc/08/15/84/179081584.db2.gz OYENADILTMBMED-SJORKVTESA-N 1 0 276.424 2.318 10 0 CEAERO C[C@H]1C[NH2+][C@](C)(C2CC2)CN1CCCOCC(F)(F)F ZINC000085509400 179085471 /nfs/dbraw/zinc/08/54/71/179085471.db2.gz ACDKUFFLYSJEHC-AAEUAGOBSA-N 1 0 294.361 2.418 10 0 CEAERO C[C@@H]1C[NH2+][C@](C)(C2CC2)CN1C[C@@H]1CCCCO1 ZINC000085509271 179085584 /nfs/dbraw/zinc/08/55/84/179085584.db2.gz KUEHFTYGLONEAU-SNPRPXQTSA-N 1 0 252.402 2.018 10 0 CEAERO CC[C@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1ccncc1 ZINC000085510942 179086106 /nfs/dbraw/zinc/08/61/06/179086106.db2.gz QSOZRQPVYXRSIC-HOTGVXAUSA-N 1 0 259.397 2.434 10 0 CEAERO CC[C@]1(C)CN[C@@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085515100 179086809 /nfs/dbraw/zinc/08/68/09/179086809.db2.gz CCQLONQMAIILKG-ARFHVFGLSA-N 1 0 266.429 2.408 10 0 CEAERO CCC1(CC)C[N@H+]([C@@H]2CCOC2)[C@H](C(C)C)CN1 ZINC000085518100 179087254 /nfs/dbraw/zinc/08/72/54/179087254.db2.gz DEUMYIDHHALHTR-KGLIPLIRSA-N 1 0 254.418 2.264 10 0 CEAERO CC(C)CCOCCN1C[C@H](C2CC2)[NH2+]C[C@@H]1C ZINC000085521169 179088014 /nfs/dbraw/zinc/08/80/14/179088014.db2.gz WFHNOZJTPBHUGG-DZGCQCFKSA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@@H](C)[C@H]1CNC2(CCCC2)C[N@@H+]1CCOC ZINC000085498218 179083702 /nfs/dbraw/zinc/08/37/02/179083702.db2.gz SMPHGPFWPVZIGK-ZIAGYGMSSA-N 1 0 254.418 2.266 10 0 CEAERO CCC1(CC)CN[C@](C)(CC)C[N@@H+]1[C@@H]1CCOC1 ZINC000085496991 179083813 /nfs/dbraw/zinc/08/38/13/179083813.db2.gz WRNWQLKPLIPWPS-ZIAGYGMSSA-N 1 0 254.418 2.408 10 0 CEAERO CCC[C@@H]1CN[C@H](C2CC2)C[N@@H+]1CCCn1ccnc1 ZINC000085523161 179088818 /nfs/dbraw/zinc/08/88/18/179088818.db2.gz JTSBVZXWLJGFLZ-CVEARBPZSA-N 1 0 276.428 2.126 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@H](C2CC2)CN1C[C@@H]1CCCCO1 ZINC000085523575 179088875 /nfs/dbraw/zinc/08/88/75/179088875.db2.gz BOMCFZCQEWFZPP-OWCLPIDISA-N 1 0 266.429 2.408 10 0 CEAERO CC[C@@H](C)[C@H]1CN[C@H](C2CC2)C[N@@H+]1CCn1ccnc1C ZINC000085525093 179089098 /nfs/dbraw/zinc/08/90/98/179089098.db2.gz OGBTWKKKDPWDSJ-XOKHGSTOSA-N 1 0 290.455 2.290 10 0 CEAERO CC[C@H](C)[C@@H]1CN[C@H](C2CC2)C[N@@H+]1CCn1ccnc1C ZINC000085525090 179089122 /nfs/dbraw/zinc/08/91/22/179089122.db2.gz OGBTWKKKDPWDSJ-JQFCIGGWSA-N 1 0 290.455 2.290 10 0 CEAERO CC(C)C[C@@H]1CN[C@H](C2CC2)C[N@@H+]1CCCn1ccnc1 ZINC000085525546 179089240 /nfs/dbraw/zinc/08/92/40/179089240.db2.gz NVGUQLIITIVEPX-SJORKVTESA-N 1 0 290.455 2.372 10 0 CEAERO CC[C@H](C)[C@@H]1CN[C@H](C2CC2)C[N@@H+]1CCCn1ccnc1 ZINC000085524861 179089404 /nfs/dbraw/zinc/08/94/04/179089404.db2.gz KPDWCPFXHHQXMW-XIRDDKMYSA-N 1 0 290.455 2.372 10 0 CEAERO CCOCCN1C[C@@H](C2CC2)[NH2+]C[C@@H]1c1ccccc1 ZINC000085527120 179089621 /nfs/dbraw/zinc/08/96/21/179089621.db2.gz BUKWUFKTDBJVDT-DLBZAZTESA-N 1 0 274.408 2.448 10 0 CEAERO CO[C@@H]1CCC[C@H]([N@@H+]2C[C@H](C3CC3)NC[C@@H]2C2CC2)C1 ZINC000085526394 179089899 /nfs/dbraw/zinc/08/98/99/179089899.db2.gz WHDBDNFQKUYSAA-YLFCFFPRSA-N 1 0 278.440 2.406 10 0 CEAERO C([C@@H]1CCCO1)[N@@H+]1C[C@H](C2CC2)NCC12CCCC2 ZINC000085529087 179090225 /nfs/dbraw/zinc/09/02/25/179090225.db2.gz PWVCLDRJOQUQLH-LSDHHAIUSA-N 1 0 264.413 2.162 10 0 CEAERO CC[C@]1(C)C[NH2+][C@@H](C2CC2)CN1Cc1cccnc1 ZINC000085528698 179090349 /nfs/dbraw/zinc/09/03/49/179090349.db2.gz PPJWRTVCEGLJRO-HZPDHXFCSA-N 1 0 259.397 2.434 10 0 CEAERO Cc1ccc(F)c(OCC[NH2+]C[C@@H]2CCCO2)c1 ZINC000085563707 179094343 /nfs/dbraw/zinc/09/43/43/179094343.db2.gz VXCAGHJQDJVMDF-LBPRGKRZSA-N 1 0 253.317 2.282 10 0 CEAERO CCc1nc2c(n1-c1ccc(OC)cc1OC)CC[NH2+]C2 ZINC000085568939 179094859 /nfs/dbraw/zinc/09/48/59/179094859.db2.gz UBOJLGHLSTUXRT-UHFFFAOYSA-N 1 0 287.363 2.098 10 0 CEAERO CCc1nc2c(n1-c1ccc(OC)c(OC)c1)CC[NH2+]C2 ZINC000085568841 179095232 /nfs/dbraw/zinc/09/52/32/179095232.db2.gz DPIYYZUZLJBFIB-UHFFFAOYSA-N 1 0 287.363 2.098 10 0 CEAERO c1nc2c(n1[C@H]1CCc3ccccc3C1)CC[NH2+]C2 ZINC000085567270 179095340 /nfs/dbraw/zinc/09/53/40/179095340.db2.gz DYEXIVMYSODEQL-AWEZNQCLSA-N 1 0 253.349 2.259 10 0 CEAERO CCc1nc2c(n1-c1cc(C)ccc1OC)CC[NH2+]C2 ZINC000085568848 179095499 /nfs/dbraw/zinc/09/54/99/179095499.db2.gz OGZDIMXICNHQMK-UHFFFAOYSA-N 1 0 271.364 2.397 10 0 CEAERO Cc1nc2c(n1CCc1ccccc1F)CC[NH2+]C2 ZINC000085568572 179095633 /nfs/dbraw/zinc/09/56/33/179095633.db2.gz LHAWURZWZUTOHI-UHFFFAOYSA-N 1 0 259.328 2.219 10 0 CEAERO CC(C)Cc1nc2c(n1[C@@H](C)[C@@H]1CCCO1)CC[NH2+]C2 ZINC000085570093 179095943 /nfs/dbraw/zinc/09/59/43/179095943.db2.gz HHXKRSAOCAZNJT-WFASDCNBSA-N 1 0 277.412 2.467 10 0 CEAERO COc1ccc(-n2c3c(nc2C2CC2)C[NH2+]CC3)cc1 ZINC000085569433 179096149 /nfs/dbraw/zinc/09/61/49/179096149.db2.gz YTZJBAHTNMJGOR-UHFFFAOYSA-N 1 0 269.348 2.404 10 0 CEAERO C[C@@](O)(C[NH2+][C@@H](CO)c1ccccc1)c1ccccc1 ZINC000063002182 362741003 /nfs/dbraw/zinc/74/10/03/362741003.db2.gz NNWBEWCINRQOQL-DLBZAZTESA-N 1 0 271.360 2.217 10 0 CEAERO C[C@H]1CCN[C@H](C(C)(C)C)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085624685 179106716 /nfs/dbraw/zinc/10/67/16/179106716.db2.gz YFOFXWRBNIHCCA-IHRRRGAJSA-N 1 0 254.418 2.121 10 0 CEAERO C[C@@H]1CCN[C@](C)(C2CC2)C[N@@H+]1CC1CCOCC1 ZINC000085623895 179107082 /nfs/dbraw/zinc/10/70/82/179107082.db2.gz DXZYPSLJWLFJNJ-CJNGLKHVSA-N 1 0 266.429 2.266 10 0 CEAERO CC(C)(C)c1nc2c(n1C[C@H]1CCCOC1)CC[NH2+]C2 ZINC000085573058 179098429 /nfs/dbraw/zinc/09/84/29/179098429.db2.gz UHUPYQTWLLITHV-GFCCVEGCSA-N 1 0 277.412 2.253 10 0 CEAERO CCCc1nc2c(n1[C@H](C)CCOC)CC[NH2+]C2 ZINC000085575266 179099033 /nfs/dbraw/zinc/09/90/33/179099033.db2.gz ZYTGFEGNCJVTGY-LLVKDONJSA-N 1 0 251.374 2.079 10 0 CEAERO CC(C)c1nc2c(n1[C@H](C)Cn1ccnc1)CC[NH2+]C2 ZINC000085573566 179099197 /nfs/dbraw/zinc/09/91/97/179099197.db2.gz VGJVLMYVLLVEBF-GFCCVEGCSA-N 1 0 273.384 2.110 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(Cc2cnn(CC)c2)CCC[NH2+]1 ZINC000085609526 179101444 /nfs/dbraw/zinc/10/14/44/179101444.db2.gz KSMKAUGUXJUZKW-HIFRSBDPSA-N 1 0 264.417 2.113 10 0 CEAERO C[C@]1(C2CC2)CN(CCC(F)(F)F)CCC[NH2+]1 ZINC000085613063 179102609 /nfs/dbraw/zinc/10/26/09/179102609.db2.gz DVARRBACQKLAQK-LLVKDONJSA-N 1 0 250.308 2.403 10 0 CEAERO CC[C@H]1CN(Cc2ccc(OC)c(OC)c2)CCC[NH2+]1 ZINC000085614197 179103512 /nfs/dbraw/zinc/10/35/12/179103512.db2.gz FGDWUUOTRKRESE-AWEZNQCLSA-N 1 0 278.396 2.278 10 0 CEAERO CC(C)n1ccc(CN2C[C@H](C3CC3)[NH2+]CC[C@@H]2C)n1 ZINC000085626758 179107436 /nfs/dbraw/zinc/10/74/36/179107436.db2.gz FMTMIKOXPPCYJG-XJKSGUPXSA-N 1 0 276.428 2.426 10 0 CEAERO CO[C@@H]1CCC[C@@H]([N@@H+]2CCCN[C@H](C3CC3)C2)C1 ZINC000085616383 179104072 /nfs/dbraw/zinc/10/40/72/179104072.db2.gz HPELTXITXHJFGJ-KFWWJZLASA-N 1 0 252.402 2.018 10 0 CEAERO c1cc(CCN2CCC[NH2+][C@@H](C3CC3)C2)cs1 ZINC000085616161 179104243 /nfs/dbraw/zinc/10/42/43/179104243.db2.gz TWVOPBANVBXNTK-CQSZACIVSA-N 1 0 250.411 2.365 10 0 CEAERO c1cnn(CCN2CCC[NH2+][C@H](C3CCCCC3)C2)c1 ZINC000085615185 179104459 /nfs/dbraw/zinc/10/44/59/179104459.db2.gz KEXMFHCWNVCTOW-INIZCTEOSA-N 1 0 276.428 2.127 10 0 CEAERO c1ccc2c(c1)CCO[C@H]2CN1CCC[NH2+][C@H](C2CC2)C1 ZINC000085616211 179104626 /nfs/dbraw/zinc/10/46/26/179104626.db2.gz ZUOLJMZKNQCALV-ROUUACIJSA-N 1 0 286.419 2.374 10 0 CEAERO CC(C)C[C@@H]([NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)C(=O)N(C)C ZINC000085672509 179111959 /nfs/dbraw/zinc/11/19/59/179111959.db2.gz YAJWNYYOJVXVGO-YJNKXOJESA-N 1 0 296.455 2.283 10 0 CEAERO Cc1cc(N2CCOCC2(C)C)ccc1C[C@@H](C)[NH3+] ZINC000111507669 136562902 /nfs/dbraw/zinc/56/29/02/136562902.db2.gz IZKNOHRIIXZENV-CYBMUJFWSA-N 1 0 262.397 2.500 10 0 CEAERO CN(C)C[C@H]([NH3+])Cc1ccc(F)cc1Br ZINC000085798109 179172611 /nfs/dbraw/zinc/17/26/11/179172611.db2.gz PUAIQSHZQRPOGN-SNVBAGLBSA-N 1 0 275.165 2.020 10 0 CEAERO CC[NH2+][C@@H](CN(C)C)c1occc1Br ZINC000085799469 179172678 /nfs/dbraw/zinc/17/26/78/179172678.db2.gz YRHMAFJVVGNLLI-VIFPVBQESA-N 1 0 261.163 2.254 10 0 CEAERO CC(C)c1ccc([C@@H](C)NC(=O)[C@]2([NH3+])CCOC2)cc1 ZINC000085872159 179193119 /nfs/dbraw/zinc/19/31/19/179193119.db2.gz NKWWKZFWSBBKTJ-WBMJQRKESA-N 1 0 276.380 2.105 10 0 CEAERO Cc1cc(C(=O)NC[C@H]2CCCC[C@H]2[NH3+])ccc1F ZINC000085964854 179205516 /nfs/dbraw/zinc/20/55/16/179205516.db2.gz MZVNMAMDHFLVPY-TZMCWYRMSA-N 1 0 264.344 2.381 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1CNC(=O)c1cccc(F)c1F ZINC000085966875 179205868 /nfs/dbraw/zinc/20/58/68/179205868.db2.gz XTSCAGPXGYZXPG-BXKDBHETSA-N 1 0 268.307 2.212 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1CNC(=O)Cc1ccc(F)cc1 ZINC000085966584 179206174 /nfs/dbraw/zinc/20/61/74/179206174.db2.gz IZRXHYGCXTUQOX-TZMCWYRMSA-N 1 0 264.344 2.002 10 0 CEAERO COc1cccc(NC(=O)NC[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000085970281 179206442 /nfs/dbraw/zinc/20/64/42/179206442.db2.gz NPYACGTVIJASID-SMDDNHRTSA-N 1 0 277.368 2.334 10 0 CEAERO CCC[NH2+][C@@H](CCO)CN1CCC2(CCCC2)CC1 ZINC000085922946 179201300 /nfs/dbraw/zinc/20/13/00/179201300.db2.gz NLZIMLQZCPPCRE-HNNXBMFYSA-N 1 0 268.445 2.393 10 0 CEAERO C[NH2+][C@H](CCO)COc1ccc(C(C)(C)C)cc1 ZINC000085924436 179201553 /nfs/dbraw/zinc/20/15/53/179201553.db2.gz NEXVWAIXODWAMO-CYBMUJFWSA-N 1 0 251.370 2.333 10 0 CEAERO CCC[NH2+][C@@H](CCO)COc1ccc(Cl)cc1 ZINC000085926913 179202010 /nfs/dbraw/zinc/20/20/10/179202010.db2.gz UTADQVUBBVQGSJ-LBPRGKRZSA-N 1 0 257.761 2.469 10 0 CEAERO CC[NH2+][C@@H](CCO)COc1ccc(C)cc1Cl ZINC000085927158 179202342 /nfs/dbraw/zinc/20/23/42/179202342.db2.gz KDZLEZCDBFMVPK-NSHDSACASA-N 1 0 257.761 2.388 10 0 CEAERO CC[NH2+][C@H](CCO)CSc1nc2cc(C)ccc2[nH]1 ZINC000085929265 179202714 /nfs/dbraw/zinc/20/27/14/179202714.db2.gz NDKVLQACJCFYES-LLVKDONJSA-N 1 0 279.409 2.324 10 0 CEAERO Cc1ccc(NC(=O)[C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)cc1 ZINC000085986100 179211536 /nfs/dbraw/zinc/21/15/36/179211536.db2.gz VCSAHRAJRYKNAV-LZWOXQAQSA-N 1 0 290.407 2.463 10 0 CEAERO [NH3+][C@@H](CCC(=O)NC[C@@H]1CCCC[C@@H]1O)c1ccccc1 ZINC000085987046 179212355 /nfs/dbraw/zinc/21/23/55/179212355.db2.gz BIXRALDNYXSIER-JYJNAYRXSA-N 1 0 290.407 2.134 10 0 CEAERO Cc1cc(C)c(C)c([C@H]([NH3+])[C@@H]2CCS(=O)(=O)C2)c1C ZINC000086019945 179217870 /nfs/dbraw/zinc/21/78/70/179217870.db2.gz QSJLASFSZAKFBG-UKRRQHHQSA-N 1 0 281.421 2.355 10 0 CEAERO O[C@H](C[NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccc(F)c(F)c1 ZINC000085987961 179212765 /nfs/dbraw/zinc/21/27/65/179212765.db2.gz LTTHPOQOMRHLJO-TUKIKUTGSA-N 1 0 285.334 2.139 10 0 CEAERO CC[NH2+][C@@H](c1sccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000086022272 179218396 /nfs/dbraw/zinc/21/83/96/179218396.db2.gz IHSHNEAJCFPUBB-WDEREUQCSA-N 1 0 273.423 2.142 10 0 CEAERO CCC[NH2+][C@H](c1ccc(C)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000086022331 179218622 /nfs/dbraw/zinc/21/86/22/179218622.db2.gz PRMUKPRDYAUJKC-YPMHNXCESA-N 1 0 271.382 2.063 10 0 CEAERO CCC[NH2+][C@@H](c1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000086021536 179218978 /nfs/dbraw/zinc/21/89/78/179218978.db2.gz VWLBNJVBYAQPQS-ZYHUDNBSSA-N 1 0 273.423 2.224 10 0 CEAERO CC[NH2+][C@@H]1CC[C@@H](S(=O)(=O)c2cccc(OC)c2)[C@@H]1C ZINC000086040812 179221928 /nfs/dbraw/zinc/22/19/28/179221928.db2.gz IBJINLOTFHRXHN-KCPJHIHWSA-N 1 0 297.420 2.246 10 0 CEAERO Cc1ccccc1CS(=O)(=O)[C@@H]1CC[C@H]([NH3+])[C@@H]1C ZINC000086041865 179222293 /nfs/dbraw/zinc/22/22/93/179222293.db2.gz HQIBCZAPFMQDHA-FPMFFAJLSA-N 1 0 267.394 2.036 10 0 CEAERO CC[C@]1(C)CN(CCc2ccc3c(c2)OCCO3)CC[NH2+]1 ZINC000086123518 179235880 /nfs/dbraw/zinc/23/58/80/179235880.db2.gz XADCOKOPHPDMPU-QGZVFWFLSA-N 1 0 290.407 2.074 10 0 CEAERO C(C[N@@H+]1CCNC2(CCCCC2)C1)[C@H]1CCCO1 ZINC000086145599 179237521 /nfs/dbraw/zinc/23/75/21/179237521.db2.gz AVHFQPMOSCTDAH-CQSZACIVSA-N 1 0 252.402 2.164 10 0 CEAERO c1csc(CN2CC[NH2+][C@@H](Cc3ccccc3)C2)n1 ZINC000086144202 179237670 /nfs/dbraw/zinc/23/76/70/179237670.db2.gz JKMQFFBBDJPRKJ-AWEZNQCLSA-N 1 0 273.405 2.160 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2ccccc2Br)C1 ZINC000086089430 179229107 /nfs/dbraw/zinc/22/91/07/179229107.db2.gz TZICVGDMESUDDY-RKDXNWHRSA-N 1 0 281.153 2.291 10 0 CEAERO CC[C@H](C)[C@@H]1CN(CCc2nc(C)cs2)CC[NH2+]1 ZINC000086148845 179239925 /nfs/dbraw/zinc/23/99/25/179239925.db2.gz XJERFMZFLRNJPR-AAEUAGOBSA-N 1 0 267.442 2.314 10 0 CEAERO c1nc(CN2CC[NH2+][C@H](Cc3ccccc3)C2)cs1 ZINC000086149438 179240962 /nfs/dbraw/zinc/24/09/62/179240962.db2.gz KPYZNNKJLNTQRL-CQSZACIVSA-N 1 0 273.405 2.160 10 0 CEAERO COCCCCN1C[C@@H](Cc2ccccc2)[NH2+]C[C@@H]1C ZINC000086173790 179244262 /nfs/dbraw/zinc/24/42/62/179244262.db2.gz OYXUBPKVZRZISU-DOTOQJQBSA-N 1 0 276.424 2.318 10 0 CEAERO CC[C@@H](C)[C@H]1CN(Cc2nccn2C)[C@H](C(C)C)C[NH2+]1 ZINC000086175570 179245395 /nfs/dbraw/zinc/24/53/95/179245395.db2.gz BQYYNBVYBDMJBW-KFWWJZLASA-N 1 0 278.444 2.265 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C)CN1CCOC1CCCCC1 ZINC000086175850 179245954 /nfs/dbraw/zinc/24/59/54/179245954.db2.gz YUWNECBETUXRKW-ZIAGYGMSSA-N 1 0 254.418 2.408 10 0 CEAERO C[C@@H]([C@@H]1CCCO1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000086177080 179246377 /nfs/dbraw/zinc/24/63/77/179246377.db2.gz BEJJZLKQJSHGBW-IMJJTQAJSA-N 1 0 260.381 2.200 10 0 CEAERO COc1ccc(CCN2C[C@H](C3CC3)[NH2+]C[C@@H]2C)cc1 ZINC000086179146 179247161 /nfs/dbraw/zinc/24/71/61/179247161.db2.gz JMBDHLBJQNWIRB-SUMWQHHRSA-N 1 0 274.408 2.310 10 0 CEAERO C[C@H](Cc1ccc(F)cc1)N1CC[NH2+]C(C)(C)C1 ZINC000086148462 179239814 /nfs/dbraw/zinc/23/98/14/179239814.db2.gz UHNUMZHNFWDHGW-GFCCVEGCSA-N 1 0 250.361 2.441 10 0 CEAERO C[C@@H]1C[NH2+][C@@](C)(c2ccccc2)CN1c1cnn(C)c1 ZINC000086218346 179250004 /nfs/dbraw/zinc/25/00/04/179250004.db2.gz UJQNATZDBLNZIW-CZUORRHYSA-N 1 0 270.380 2.134 10 0 CEAERO CC[C@H]1C[NH2+][C@](C)(C2CC2)CN1CCc1ccccn1 ZINC000086221425 179250398 /nfs/dbraw/zinc/25/03/98/179250398.db2.gz CYYQFPHHBWBAAN-IRXDYDNUSA-N 1 0 273.424 2.477 10 0 CEAERO CC(C)[C@H]1C[NH2+][C@@H](C2CC2)CN1CCc1ccccn1 ZINC000086221447 179250582 /nfs/dbraw/zinc/25/05/82/179250582.db2.gz OMYPSNDCJWLQML-IAGOWNOFSA-N 1 0 273.424 2.333 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C2CC2)CN1CCc1cccnc1 ZINC000086223230 179251990 /nfs/dbraw/zinc/25/19/90/179251990.db2.gz KCWSFTHLYBJERE-CVEARBPZSA-N 1 0 259.397 2.087 10 0 CEAERO CC(C)C[C@H]1CN(CCc2cccnc2)[C@@H](C)C[NH2+]1 ZINC000086223245 179252364 /nfs/dbraw/zinc/25/23/64/179252364.db2.gz GCIRBDSDLJAKAF-HOCLYGCPSA-N 1 0 261.413 2.333 10 0 CEAERO Cc1csc(CN2C[C@](C)(C3CC3)[NH2+]C[C@@H]2C)n1 ZINC000086227025 179252798 /nfs/dbraw/zinc/25/27/98/179252798.db2.gz VAMLMJPLBDMJPG-SMDDNHRTSA-N 1 0 265.426 2.414 10 0 CEAERO CC[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1nccs1 ZINC000086226808 179253865 /nfs/dbraw/zinc/25/38/65/179253865.db2.gz DUZBFNJMKUJLOT-TZMCWYRMSA-N 1 0 265.426 2.496 10 0 CEAERO CC(C)[C@H]1C[NH2+]C(C)(C)CN1Cc1nccs1 ZINC000086226839 179253909 /nfs/dbraw/zinc/25/39/09/179253909.db2.gz DVLPLBHQPSUVTI-LLVKDONJSA-N 1 0 253.415 2.352 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC(C)C)CN1c1cnn(CCOC)c1 ZINC000086227270 179254565 /nfs/dbraw/zinc/25/45/65/179254565.db2.gz OJTMQLFPKUUHPW-LSDHHAIUSA-N 1 0 294.443 2.132 10 0 CEAERO CC[C@H]1C[NH2+][C@H](CC(C)C)CN1Cc1cnc(C)cn1 ZINC000086263116 179259695 /nfs/dbraw/zinc/25/96/95/179259695.db2.gz UEYYDZMTZSHXRA-ZBFHGGJFSA-N 1 0 276.428 2.384 10 0 CEAERO CC[C@H]1CN(c2cnn(C(C)C)c2)[C@@H](CC)C[NH2+]1 ZINC000086263510 179260854 /nfs/dbraw/zinc/26/08/54/179260854.db2.gz WRDBEBXWMOCMOG-STQMWFEESA-N 1 0 250.390 2.431 10 0 CEAERO CC[C@H]1C[NH2+][C@](C)(CC)CN1Cc1ccc(OC)nc1 ZINC000086263920 179260865 /nfs/dbraw/zinc/26/08/65/179260865.db2.gz QABPPKNSOORVTO-GOEBONIOSA-N 1 0 277.412 2.443 10 0 CEAERO COc1ccc(CN2C[C@@H](C3CC3)[NH2+]C[C@@H]2C(C)C)cn1 ZINC000086263904 179260953 /nfs/dbraw/zinc/26/09/53/179260953.db2.gz GGPQECWYCFPUAX-JKSUJKDBSA-N 1 0 289.423 2.299 10 0 CEAERO C[C@@H]1C[NH2+][C@](C)(c2ccccc2)CN1Cc1nccn1C ZINC000086264855 179260964 /nfs/dbraw/zinc/26/09/64/179260964.db2.gz BBSYSHODQRVALB-PBHICJAKSA-N 1 0 284.407 2.129 10 0 CEAERO CC[C@@H]1C[NH2+]C(C)(C)CN1Cc1ccc(OC)nc1 ZINC000086263953 179261100 /nfs/dbraw/zinc/26/11/00/179261100.db2.gz AHFAMWMCRLVWMB-CYBMUJFWSA-N 1 0 263.385 2.053 10 0 CEAERO CC(C)[C@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1nccn1C ZINC000086264798 179261208 /nfs/dbraw/zinc/26/12/08/179261208.db2.gz SZNFMPJFSMRQBV-ZBFHGGJFSA-N 1 0 276.428 2.019 10 0 CEAERO CC[C@H]1CN(CCc2nccs2)[C@H](C(C)C)C[NH2+]1 ZINC000086264338 179261257 /nfs/dbraw/zinc/26/12/57/179261257.db2.gz NSOWYSBRDXAYGB-STQMWFEESA-N 1 0 267.442 2.394 10 0 CEAERO COc1cc(CN2C[C@@H](C3CC3)[NH2+]C[C@@H]2C(C)C)ccn1 ZINC000086263830 179261318 /nfs/dbraw/zinc/26/13/18/179261318.db2.gz VRBVRQMLGWZIBS-JKSUJKDBSA-N 1 0 289.423 2.299 10 0 CEAERO CC[C@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1ccnc(OC)c1 ZINC000086263814 179261344 /nfs/dbraw/zinc/26/13/44/179261344.db2.gz KJWWFKRFJZNXDH-RDJZCZTQSA-N 1 0 289.423 2.443 10 0 CEAERO c1ccc(C[C@@H]2CN(c3cccnc3)CCC[NH2+]2)cc1 ZINC000086269156 179261659 /nfs/dbraw/zinc/26/16/59/179261659.db2.gz PFZZTZKUKFLNKZ-MRXNPFEDSA-N 1 0 267.376 2.493 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@H](C2CC2)CN1CCc1cscn1 ZINC000086265553 179261989 /nfs/dbraw/zinc/26/19/89/179261989.db2.gz OGEJGOSZYPUKPR-GJZGRUSLSA-N 1 0 279.453 2.394 10 0 CEAERO CSCC[N@@H+]1C[C@@H](c2ccccc2)NC[C@@H]1C ZINC000086266178 179262319 /nfs/dbraw/zinc/26/23/19/179262319.db2.gz BIASNEIGAPQRLL-JSGCOSHPSA-N 1 0 250.411 2.384 10 0 CEAERO c1ccc(C[C@H]2CN(c3cccnc3)CCC[NH2+]2)cc1 ZINC000086269157 179262343 /nfs/dbraw/zinc/26/23/43/179262343.db2.gz PFZZTZKUKFLNKZ-INIZCTEOSA-N 1 0 267.376 2.493 10 0 CEAERO CC[C@H]1CN(CCc2ccccc2F)CCC[NH2+]1 ZINC000086285749 179263506 /nfs/dbraw/zinc/26/35/06/179263506.db2.gz INDQVUMUJCHDOE-AWEZNQCLSA-N 1 0 250.361 2.442 10 0 CEAERO [NH3+]CC1CCN(c2nc(Br)cs2)CC1 ZINC000086290644 179265282 /nfs/dbraw/zinc/26/52/82/179265282.db2.gz SSAKMVPOPMQVPE-UHFFFAOYSA-N 1 0 276.203 2.081 10 0 CEAERO CC(C)CN1C(=O)C[C@@H]([NH3+])[C@H]1c1ccc2ccccc2n1 ZINC000086317457 179270386 /nfs/dbraw/zinc/27/03/86/179270386.db2.gz OKUMBEBZOYKVAF-DYVFJYSZSA-N 1 0 283.375 2.492 10 0 CEAERO CCCN1C(=O)C[C@H]([NH3+])[C@@H]1c1ccc2ccccc2n1 ZINC000086317444 179270392 /nfs/dbraw/zinc/27/03/92/179270392.db2.gz BFXHICOKHGHYFJ-BLLLJJGKSA-N 1 0 269.348 2.246 10 0 CEAERO CCC[C@@H](C[NH3+])[C@H](O)c1ccc(Br)o1 ZINC000086324697 179271429 /nfs/dbraw/zinc/27/14/29/179271429.db2.gz GLVCJXLMVMPJLI-XVKPBYJWSA-N 1 0 262.147 2.451 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1c1nc(Br)cs1 ZINC000086290734 179265590 /nfs/dbraw/zinc/26/55/90/179265590.db2.gz UAKWRCAYLUEBBK-MRVPVSSYSA-N 1 0 290.230 2.484 10 0 CEAERO CC(C)(C)[C@H]1C[N@H+](C[C@@H]2CCCOC2)CCCN1 ZINC000086292487 179266293 /nfs/dbraw/zinc/26/62/93/179266293.db2.gz IINTYZJAQGLXCT-UONOGXRCSA-N 1 0 254.418 2.123 10 0 CEAERO C[C@H]1CN(CCc2cc(F)cc(F)c2)CCC[NH2+]1 ZINC000086294963 179267222 /nfs/dbraw/zinc/26/72/22/179267222.db2.gz FGMYBTPIUDHWKB-NSHDSACASA-N 1 0 254.324 2.191 10 0 CEAERO CC(C)[C@H]1CN(c2cnn(C(C)C)c2)CCC[NH2+]1 ZINC000086295957 179267894 /nfs/dbraw/zinc/26/78/94/179267894.db2.gz BCWGYLQPLLKMDM-CQSZACIVSA-N 1 0 250.390 2.288 10 0 CEAERO Cn1ccnc1CN1CCC[NH2+][C@@H](C2CCCCC2)C1 ZINC000086297358 179268337 /nfs/dbraw/zinc/26/83/37/179268337.db2.gz YIAWYTFSWOLTEM-OAHLLOKOSA-N 1 0 276.428 2.164 10 0 CEAERO C[C@@]1(C2CC2)CN(CCc2cscn2)CCC[NH2+]1 ZINC000086297924 179268535 /nfs/dbraw/zinc/26/85/35/179268535.db2.gz PFYLXWQWYRHQDE-AWEZNQCLSA-N 1 0 265.426 2.150 10 0 CEAERO CC[C@@]1(C)CN(CCOC2CCCC2)CCC[NH2+]1 ZINC000086298000 179268820 /nfs/dbraw/zinc/26/88/20/179268820.db2.gz BEOIERCSOAKBBZ-HNNXBMFYSA-N 1 0 254.418 2.410 10 0 CEAERO CC(C)CN1C(=O)C[C@H]([NH3+])[C@H]1c1ccc2ccccc2n1 ZINC000086317459 179270068 /nfs/dbraw/zinc/27/00/68/179270068.db2.gz OKUMBEBZOYKVAF-GUYCJALGSA-N 1 0 283.375 2.492 10 0 CEAERO [NH3+][C@H]1CCC(=O)N(C2CC2)[C@H]1c1ccc2ccccc2n1 ZINC000086317436 179270074 /nfs/dbraw/zinc/27/00/74/179270074.db2.gz YWVVSAWSEIZGHV-SUMWQHHRSA-N 1 0 281.359 2.388 10 0 CEAERO [NH3+]C[C@H](c1cc(Cl)cs1)N1CCSCC1 ZINC000086333187 179273320 /nfs/dbraw/zinc/27/33/20/179273320.db2.gz DEFAGRYLROEYPI-SECBINFHSA-N 1 0 262.831 2.450 10 0 CEAERO CN(C[C@H]1CCCO1)c1nc2c(s1)CCC[C@@H]2[NH3+] ZINC000086443533 179293787 /nfs/dbraw/zinc/29/37/87/179293787.db2.gz GQHPLPSYAXZLID-ZJUUUORDSA-N 1 0 267.398 2.094 10 0 CEAERO CC[C@@H]1CN(C(=O)c2ccccc2OC)[C@@H](CC)C[NH2+]1 ZINC000086446000 179294600 /nfs/dbraw/zinc/29/46/00/179294600.db2.gz JICOXGSIAVCEQB-OLZOCXBDSA-N 1 0 276.380 2.298 10 0 CEAERO CC[C@H]1CN(C(=O)c2cc(OC)ccc2O)[C@@H](CC)C[NH2+]1 ZINC000086446223 179294695 /nfs/dbraw/zinc/29/46/95/179294695.db2.gz ORHXIHNGBUUXBX-RYUDHWBXSA-N 1 0 292.379 2.003 10 0 CEAERO CC[C@@H]1CN(C(=O)c2cccs2)[C@H](CC)C[NH2+]1 ZINC000086447945 179295324 /nfs/dbraw/zinc/29/53/24/179295324.db2.gz APLVDYDQISEKAS-GHMZBOCLSA-N 1 0 252.383 2.351 10 0 CEAERO CC[C@H]1CN(C(=O)c2cccn2CC)[C@@H](CC)C[NH2+]1 ZINC000086447730 179295494 /nfs/dbraw/zinc/29/54/94/179295494.db2.gz WUXLUARSSATBOD-STQMWFEESA-N 1 0 263.385 2.111 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)Cc1ccsc1 ZINC000086448214 179295632 /nfs/dbraw/zinc/29/56/32/179295632.db2.gz WRFZKKXPBJERCS-QWHCGFSZSA-N 1 0 266.410 2.280 10 0 CEAERO CC[C@@H]1CN(C(=O)[C@@H]2COc3ccccc32)[C@@H](CC)C[NH2+]1 ZINC000086447161 179295688 /nfs/dbraw/zinc/29/56/88/179295688.db2.gz XTWSMMZTMLSDIP-VNHYZAJKSA-N 1 0 288.391 2.152 10 0 CEAERO NC1=[NH+]C[C@H](C2CC2)N1c1cccc(Br)c1 ZINC000086474565 179300805 /nfs/dbraw/zinc/30/08/05/179300805.db2.gz HKYVYYYWKJXXRR-LLVKDONJSA-N 1 0 280.169 2.362 10 0 CEAERO C[NH2+][C@H](Cc1cnccc1N)[C@@H]1Cc2ccccc21 ZINC000086488957 179302499 /nfs/dbraw/zinc/30/24/99/179302499.db2.gz GHKRXBXVWRKJHS-GDBMZVCRSA-N 1 0 253.349 2.134 10 0 CEAERO CC[C@@H]1CN(CC(=O)Nc2cccc(C)c2)[C@@H](CC)C[NH2+]1 ZINC000086463823 179296524 /nfs/dbraw/zinc/29/65/24/179296524.db2.gz MMSRTOKMFOYHRE-ZBFHGGJFSA-N 1 0 289.423 2.396 10 0 CEAERO [NH3+][C@H]1CCC[C@@H](C(=O)N2CCC3(CCC3)CC2)C1 ZINC000308702801 539577840 /nfs/dbraw/zinc/57/78/40/539577840.db2.gz UZEVGQFLYUPUHJ-OLZOCXBDSA-N 1 0 250.386 2.297 10 0 CEAERO CC[C@H]1CN(CC(=O)Nc2ccccc2C)[C@@H](CC)C[NH2+]1 ZINC000086464815 179296811 /nfs/dbraw/zinc/29/68/11/179296811.db2.gz SWDZYOYFVZTYSE-GJZGRUSLSA-N 1 0 289.423 2.396 10 0 CEAERO CC[C@@H]1CN(CC(=O)N[C@@H](C)CCC(C)C)[C@@H](CC)C[NH2+]1 ZINC000086464645 179297022 /nfs/dbraw/zinc/29/70/22/179297022.db2.gz NXDFQNPFCAGMJT-XHSDSOJGSA-N 1 0 297.487 2.390 10 0 CEAERO Cc1cc(C)c(C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)c(C)c1 ZINC000086467259 179297165 /nfs/dbraw/zinc/29/71/65/179297165.db2.gz RMSZSQKTVGAKPE-KGLIPLIRSA-N 1 0 260.381 2.434 10 0 CEAERO CC[C@@H]1CN(Cc2noc(C(C)(C)C)n2)[C@@H](CC)C[NH2+]1 ZINC000086465220 179297349 /nfs/dbraw/zinc/29/73/49/179297349.db2.gz JJITWFNKNDILIU-NEPJUHHUSA-N 1 0 280.416 2.330 10 0 CEAERO C[NH2+]CC[C@](C)(O)c1cscc1Br ZINC000086558379 179307691 /nfs/dbraw/zinc/30/76/91/179307691.db2.gz YEQFOSGPIYSFJK-VIFPVBQESA-N 1 0 264.188 2.328 10 0 CEAERO CC(C)(C)c1ccc(C[C@H]([NH3+])[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000086566317 179308055 /nfs/dbraw/zinc/30/80/55/179308055.db2.gz RCSKPSMFGZPWSJ-HIFRSBDPSA-N 1 0 295.448 2.289 10 0 CEAERO CO[C@H](C)[C@@H]([NH3+])Cc1ccc(Br)cc1 ZINC000086576443 179308458 /nfs/dbraw/zinc/30/84/58/179308458.db2.gz LFNXLTGVPPMNKO-KCJUWKMLSA-N 1 0 258.159 2.354 10 0 CEAERO CO[C@@H](C)[C@@H]([NH3+])Cc1ccc(Br)s1 ZINC000086576743 179308704 /nfs/dbraw/zinc/30/87/04/179308704.db2.gz KXSCXTPUSLRAHS-XPUUQOCRSA-N 1 0 264.188 2.415 10 0 CEAERO Cc1cnc([C@@H](C)NC(=O)C[C@@H]([NH3+])c2ccccc2)o1 ZINC000231743550 539581296 /nfs/dbraw/zinc/58/12/96/539581296.db2.gz XZTAXDAJGYMSGB-DGCLKSJQSA-N 1 0 273.336 2.250 10 0 CEAERO COc1ccc([C@H](C[NH3+])N2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000086586323 179309715 /nfs/dbraw/zinc/30/97/15/179309715.db2.gz URHSIYJEKGASBC-WDMOLILDSA-N 1 0 298.814 2.458 10 0 CEAERO CC[C@H]1COCCN1[C@@H](C[NH3+])c1ccc(OC)c(Cl)c1 ZINC000086586534 179310112 /nfs/dbraw/zinc/31/01/12/179310112.db2.gz YKCONTLJRNWARW-JSGCOSHPSA-N 1 0 298.814 2.459 10 0 CEAERO CCCC1CC(C[NH2+]CC(C)C)(S(C)(=O)=O)C1 ZINC000086545642 179306897 /nfs/dbraw/zinc/30/68/97/179306897.db2.gz QGVGUUWMIPMLIX-UHFFFAOYSA-N 1 0 261.431 2.226 10 0 CEAERO Cc1csc(S[C@@H]2CCC[C@@]([NH3+])(CO)C2)n1 ZINC000086617587 179311615 /nfs/dbraw/zinc/31/16/15/179311615.db2.gz RTNLPCISQZRVOM-KOLCDFICSA-N 1 0 258.412 2.176 10 0 CEAERO O[C@@]1([C@@H]2CCc3ccccc3N2)CC[N@@H+](C2CC2)C1 ZINC000086666775 179317409 /nfs/dbraw/zinc/31/74/09/179317409.db2.gz BJEGBKZWGUBOFI-HOTGVXAUSA-N 1 0 258.365 2.013 10 0 CEAERO CS(=O)(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000086672036 179317824 /nfs/dbraw/zinc/31/78/24/179317824.db2.gz BXOGUJYMFKBKHH-OLZOCXBDSA-N 1 0 287.812 2.395 10 0 CEAERO C[C@H]1CCC[C@H]([N@H+](C)Cc2c[nH]c(=NN)s2)C1 ZINC000086767516 179326083 /nfs/dbraw/zinc/32/60/83/179326083.db2.gz QZWAVAKLXLGLQZ-UWVGGRQHSA-N 1 0 254.403 2.439 10 0 CEAERO CCCC1CCC(C[NH3+])(OCCCS(C)(=O)=O)CC1 ZINC000086713442 179322591 /nfs/dbraw/zinc/32/25/91/179322591.db2.gz AZLTYAYOZPCOLZ-UHFFFAOYSA-N 1 0 291.457 2.126 10 0 CEAERO CC(C)CNC(=O)[C@H](C)O[C@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000086712461 179322981 /nfs/dbraw/zinc/32/29/81/179322981.db2.gz CDBQJMWQNCQQEH-VNHYZAJKSA-N 1 0 270.417 2.071 10 0 CEAERO CCC[NH+]1CCC([N@@H+]2CC[C@@](CCC)(C(=O)[O-])C2)CC1 ZINC000086781877 179331360 /nfs/dbraw/zinc/33/13/60/179331360.db2.gz DBQCACSWICYKGO-MRXNPFEDSA-N 1 0 282.428 2.438 10 0 CEAERO C[N@@H+]1CCC[C@](Nc2cccc(Cl)c2)(C(N)=O)CC1 ZINC000086819737 179348530 /nfs/dbraw/zinc/34/85/30/179348530.db2.gz XVZFZECCHBCFNI-CQSZACIVSA-N 1 0 281.787 2.092 10 0 CEAERO COC(=O)[C@]1(Nc2ccc(C)cc2)CCC[N@H+](C)CC1 ZINC000086819802 179348650 /nfs/dbraw/zinc/34/86/50/179348650.db2.gz RVLGGHMFRXWWDP-INIZCTEOSA-N 1 0 276.380 2.434 10 0 CEAERO C[N@@H+]1CCC[C@H](Nc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000086817815 179345961 /nfs/dbraw/zinc/34/59/61/179345961.db2.gz PZGOSIZXOVWPBZ-AWEZNQCLSA-N 1 0 287.407 2.475 10 0 CEAERO Cc1ccc(S(C)(=O)=O)cc1N[C@@H]1CCC[N@@H+](C)CC1 ZINC000086817763 179346174 /nfs/dbraw/zinc/34/61/74/179346174.db2.gz HJOUGTRGVTYADS-CYBMUJFWSA-N 1 0 296.436 2.295 10 0 CEAERO CCCn1cc(N[C@H]2CCC[N@H+](C)CC2)ccc1=O ZINC000086818682 179346994 /nfs/dbraw/zinc/34/69/94/179346994.db2.gz UKRRMZQJLCGJTC-ZDUSSCGKSA-N 1 0 263.385 2.155 10 0 CEAERO COc1cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)ccc1Cl ZINC000128716104 187386169 /nfs/dbraw/zinc/38/61/69/187386169.db2.gz PMWMTECEHABWJI-LLVKDONJSA-N 1 0 282.771 2.125 10 0 CEAERO CCOC(=O)[C@@]1(NCc2cccs2)CCC[N@H+](C)CC1 ZINC000086833381 179350009 /nfs/dbraw/zinc/35/00/09/179350009.db2.gz GTYKPTQDWPJEFP-OAHLLOKOSA-N 1 0 296.436 2.255 10 0 CEAERO CC[N@@H+]1CCC[C@H](Nc2cccnc2N(C)C)CC1 ZINC000086838672 179351087 /nfs/dbraw/zinc/35/10/87/179351087.db2.gz SGUWDJKUSBVQAB-ZDUSSCGKSA-N 1 0 262.401 2.434 10 0 CEAERO CCC[N@@H+]1CCC[C@H](N[C@@H](C)C(=O)N(CC)CC)CC1 ZINC000086839902 179351498 /nfs/dbraw/zinc/35/14/98/179351498.db2.gz GHZNBCXVTKVVPC-GJZGRUSLSA-N 1 0 283.460 2.097 10 0 CEAERO CC(C)[N@@H+]1CCC[C@H]([NH+]2CC[C@@](C)(C(=O)[O-])C2)CC1 ZINC000086869102 179361591 /nfs/dbraw/zinc/36/15/91/179361591.db2.gz LYGYVAFQHCINHS-DZGCQCFKSA-N 1 0 268.401 2.046 10 0 CEAERO CC[C@H]1CCc2nc(CN3CC[NH2+]CC3)sc2C1 ZINC000104064899 185891133 /nfs/dbraw/zinc/89/11/33/185891133.db2.gz PWGOYVDECNGDAW-NSHDSACASA-N 1 0 265.426 2.063 10 0 CEAERO CC[C@@H](C)n1ccc(C[C@]2([NH3+])CCCOCC2)n1 ZINC000086870532 179363310 /nfs/dbraw/zinc/36/33/10/179363310.db2.gz SHRAHKHMVREZGR-OCCSQVGLSA-N 1 0 251.374 2.295 10 0 CEAERO COc1ccc(C[C@H](C)C(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000128730193 187387019 /nfs/dbraw/zinc/38/70/19/187387019.db2.gz SYWPXINLTYAFQC-ZFWWWQNUSA-N 1 0 290.407 2.036 10 0 CEAERO CC[N@@H+]1CCC[C@@](Nc2cccc(Cl)c2)(C(N)=O)CC1 ZINC000086849353 179357930 /nfs/dbraw/zinc/35/79/30/179357930.db2.gz PWJBNDHNSRYXQB-HNNXBMFYSA-N 1 0 295.814 2.482 10 0 CEAERO CCOC(=O)[C@]1(NC(C)C)CCC[N@@H+](C(C)C)CC1 ZINC000086849778 179358198 /nfs/dbraw/zinc/35/81/98/179358198.db2.gz PNXLMIDZSKKQKQ-HNNXBMFYSA-N 1 0 270.417 2.181 10 0 CEAERO CCOC(=O)[C@@]1(NCC(C)C)CCC[N@H+](CC)CC1 ZINC000086850295 179358460 /nfs/dbraw/zinc/35/84/60/179358460.db2.gz GBVKEQQWRALMBH-OAHLLOKOSA-N 1 0 270.417 2.040 10 0 CEAERO CC[N@@H+]1CCC[C@@](O)(Cc2ccn(C(C)C)n2)CC1 ZINC000086851961 179359050 /nfs/dbraw/zinc/35/90/50/179359050.db2.gz KWIJRHYKLMBXFK-HNNXBMFYSA-N 1 0 265.401 2.243 10 0 CEAERO CCS(=O)(=O)CCC[C@@]1([NH3+])CCC[C@@H](C)CC1 ZINC000086977558 179372527 /nfs/dbraw/zinc/37/25/27/179372527.db2.gz OSVWPKYGUPVYOF-OLZOCXBDSA-N 1 0 261.431 2.499 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH2+]C)c1ccc(C)cc1 ZINC000086978660 179372760 /nfs/dbraw/zinc/37/27/60/179372760.db2.gz HDAMGIIWHTUHFN-CQSZACIVSA-N 1 0 269.410 2.470 10 0 CEAERO CCC[C@H](CCCS(=O)(=O)CC)C[NH2+]C1CC1 ZINC000086980823 179373200 /nfs/dbraw/zinc/37/32/00/179373200.db2.gz ADTQNYAXHNCANR-GFCCVEGCSA-N 1 0 261.431 2.370 10 0 CEAERO CCS(=O)(=O)CCCn1ccc2ccc(C[NH2+]C)cc21 ZINC000086981658 179373219 /nfs/dbraw/zinc/37/32/19/179373219.db2.gz DGJPXJQDEABTPS-UHFFFAOYSA-N 1 0 294.420 2.186 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH3+])Cc1ccc(C)cc1 ZINC000086979288 179373258 /nfs/dbraw/zinc/37/32/58/179373258.db2.gz FYZBJFKZYQBZMV-AWEZNQCLSA-N 1 0 269.410 2.080 10 0 CEAERO CCS(=O)(=O)CCC[C@H](Cc1ccccc1C)[NH2+]C ZINC000086979122 179373506 /nfs/dbraw/zinc/37/35/06/179373506.db2.gz FQPIIANAESNVJP-OAHLLOKOSA-N 1 0 283.437 2.340 10 0 CEAERO C[C@H]1CN(c2nc(Br)cs2)CC[C@@H]1[NH3+] ZINC000086887288 179365958 /nfs/dbraw/zinc/36/59/58/179365958.db2.gz CAPNXJKFRPUJMS-BQBZGAKWSA-N 1 0 276.203 2.079 10 0 CEAERO Cn1cnnc1CC[NH2+][C@H]1CCCC(C)(C)CC1 ZINC000086909066 179366982 /nfs/dbraw/zinc/36/69/82/179366982.db2.gz QSFNGPSGICSBNV-LBPRGKRZSA-N 1 0 250.390 2.306 10 0 CEAERO CSC[C@H]([NH3+])[C@H]1CCOC2(CCSCC2)C1 ZINC000086911935 179367155 /nfs/dbraw/zinc/36/71/55/179367155.db2.gz CMZDDRFRXHCOND-QWRGUYRKSA-N 1 0 261.456 2.369 10 0 CEAERO CSCCC[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000086903011 179367298 /nfs/dbraw/zinc/36/72/98/179367298.db2.gz LHUJMFWQCCGHNA-NEPJUHHUSA-N 1 0 261.456 2.384 10 0 CEAERO CCn1ccnc1[C@@H]([NH2+]C)[C@@H]1CSCCS1 ZINC000086984936 179373671 /nfs/dbraw/zinc/37/36/71/179373671.db2.gz ABKQEHLXULYSLG-UWVGGRQHSA-N 1 0 257.428 2.012 10 0 CEAERO CCOC(=O)[C@@]1(NCC[NH+](C)C)CCCC(C)(C)CC1 ZINC000086915949 179367772 /nfs/dbraw/zinc/36/77/72/179367772.db2.gz YVLJXPWZJCCTTK-MRXNPFEDSA-N 1 0 284.444 2.430 10 0 CEAERO CCOC(=O)[C@]1(NCC[NH+](C)C)CCCC(C)(C)CC1 ZINC000086915946 179367942 /nfs/dbraw/zinc/36/79/42/179367942.db2.gz YVLJXPWZJCCTTK-INIZCTEOSA-N 1 0 284.444 2.430 10 0 CEAERO CCC[C@@H]1CCC[C@](C[NH3+])(N2CCn3cnnc3C2)CC1 ZINC000086949097 179368865 /nfs/dbraw/zinc/36/88/65/179368865.db2.gz DILNPGVUTSTCFM-ZBFHGGJFSA-N 1 0 291.443 2.172 10 0 CEAERO CCS(=O)(=O)CCCC[C@H](C)C[NH2+]CC(C)C ZINC000086981814 179373831 /nfs/dbraw/zinc/37/38/31/179373831.db2.gz QDXMFOQTKPCAET-ZDUSSCGKSA-N 1 0 263.447 2.473 10 0 CEAERO CCC[NH2+][C@H](CCC)Cc1nc(CCCOC)no1 ZINC000086971936 179370503 /nfs/dbraw/zinc/37/05/03/179370503.db2.gz VYPPKFLEKMBXDT-GFCCVEGCSA-N 1 0 269.389 2.359 10 0 CEAERO CC[NH2+]CCCc1c(C)nc(CCCOC)nc1C ZINC000086971537 179370822 /nfs/dbraw/zinc/37/08/22/179370822.db2.gz YUXJBXHPFKSJSR-UHFFFAOYSA-N 1 0 265.401 2.215 10 0 CEAERO CC(C)=CCN1CCC([NH2+]CC2(O)CCCC2)CC1 ZINC000087015883 179380067 /nfs/dbraw/zinc/38/00/67/179380067.db2.gz LDSODXGOUXVMDV-UHFFFAOYSA-N 1 0 266.429 2.312 10 0 CEAERO Cc1cc(C(=O)NCC[C@H](C)[NH3+])sc1Br ZINC000087018516 179381031 /nfs/dbraw/zinc/38/10/31/179381031.db2.gz XSHIWOPQXCKHJI-ZETCQYMHSA-N 1 0 291.214 2.286 10 0 CEAERO Cc1cc([C@@H](O)[C@@H](C)C[NH3+])sc1Br ZINC000087018768 179381220 /nfs/dbraw/zinc/38/12/20/179381220.db2.gz MDPZCJKALBSAQH-XPUUQOCRSA-N 1 0 264.188 2.447 10 0 CEAERO CC[NH2+]Cc1ccnc([C@H]2CSCCS2)n1 ZINC000086985370 179374200 /nfs/dbraw/zinc/37/42/00/179374200.db2.gz DFURRWLPLVOOFN-SNVBAGLBSA-N 1 0 255.412 2.107 10 0 CEAERO CCC[NH2+]Cc1cnc([C@H]2CSCCS2)[nH]1 ZINC000086985456 179374405 /nfs/dbraw/zinc/37/44/05/179374405.db2.gz AABGDKLMEAHXFI-SNVBAGLBSA-N 1 0 257.428 2.430 10 0 CEAERO [NH3+][C@H](Cc1ccc(Cl)s1)[C@H]1CSCCO1 ZINC000086986848 179374773 /nfs/dbraw/zinc/37/47/73/179374773.db2.gz CTRRRROFTZRVQW-RKDXNWHRSA-N 1 0 263.815 2.403 10 0 CEAERO COc1ccc([C@@H]([NH2+]C2CCCCC2)C(N)=O)cc1F ZINC000086992750 179375172 /nfs/dbraw/zinc/37/51/72/179375172.db2.gz STRXUQOFJIGTAW-CQSZACIVSA-N 1 0 280.343 2.283 10 0 CEAERO COCC[NH2+]C[C@@H]1C[C@@H]1c1ccc(OC)c(F)c1 ZINC000086995549 179376588 /nfs/dbraw/zinc/37/65/88/179376588.db2.gz NDRWXOVYKZUAMG-NWDGAFQWSA-N 1 0 253.317 2.174 10 0 CEAERO C[C@@H]1CCC[C@@H](CNC(=O)c2c(F)cc(F)cc2F)[NH2+]1 ZINC000086996405 179376929 /nfs/dbraw/zinc/37/69/29/179376929.db2.gz TWJAUMVVVMVHTH-SCZZXKLOSA-N 1 0 286.297 2.364 10 0 CEAERO COc1ccc(C)cc1[C@@H](O)C[NH2+]CC1(O)CCCCC1 ZINC000087029215 179382452 /nfs/dbraw/zinc/38/24/52/179382452.db2.gz DMMMCLFWILJXQA-HNNXBMFYSA-N 1 0 293.407 2.322 10 0 CEAERO CC[C@@H]1C[NH2+]C[C@H](c2ccc(OC)c(OC)c2OC)O1 ZINC000087090150 179394245 /nfs/dbraw/zinc/39/42/45/179394245.db2.gz KLEMKDHVFCMPEM-ZWNOBZJWSA-N 1 0 281.352 2.152 10 0 CEAERO CN(C)CC[NH2+]CCOCc1cccc(Cl)c1 ZINC000087096619 179394316 /nfs/dbraw/zinc/39/43/16/179394316.db2.gz OCAOKRGWNNDWOE-UHFFFAOYSA-N 1 0 256.777 2.008 10 0 CEAERO CCC[NH2+][C@H](CCCS(C)(=O)=O)CSCCC ZINC000087107958 179395668 /nfs/dbraw/zinc/39/56/68/179395668.db2.gz VPEWOJVKTCZICM-GFCCVEGCSA-N 1 0 281.487 2.323 10 0 CEAERO CCSCc1noc(C[C@H]([NH2+]C)C(C)(C)C)n1 ZINC000087106652 179394780 /nfs/dbraw/zinc/39/47/80/179394780.db2.gz BEVPWPBTBUKTMG-VIFPVBQESA-N 1 0 257.403 2.499 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1c1nc(CSC(C)(C)C)no1 ZINC000087116013 179395436 /nfs/dbraw/zinc/39/54/36/179395436.db2.gz MQVUCKMOVRKJAS-BDAKNGLRSA-N 1 0 255.387 2.424 10 0 CEAERO CCC1CCC(O)(C[NH2+]C[C@H](O)c2ccco2)CC1 ZINC000087065956 179389932 /nfs/dbraw/zinc/38/99/32/179389932.db2.gz ORIJZDSKOWGBDW-OWYJLGKBSA-N 1 0 267.369 2.234 10 0 CEAERO CC(C)N1CCO[C@@H](C[NH2+]CC2(O)CCC(C)(C)CC2)C1 ZINC000087063763 179390455 /nfs/dbraw/zinc/39/04/55/179390455.db2.gz KXVZIODVYCDYAB-HNNXBMFYSA-N 1 0 298.471 2.017 10 0 CEAERO CCC1CCC(O)(CNC(=O)[C@]2([NH3+])CCC[C@@H](C)C2)CC1 ZINC000087070324 179391237 /nfs/dbraw/zinc/39/12/37/179391237.db2.gz SPOWTDYFHIUSCQ-LYSZQXJVSA-N 1 0 296.455 2.342 10 0 CEAERO CCC[C@@]1(C(=O)NCC2(O)CCC(CC)CC2)CC[NH2+]C1 ZINC000087070363 179391358 /nfs/dbraw/zinc/39/13/58/179391358.db2.gz KAQNBLGJKWMFCL-ARWYELJZSA-N 1 0 296.455 2.214 10 0 CEAERO CCC[NH2+][C@@H]1CCCN(CC2(O)CCC(CC)CC2)C1=O ZINC000087071347 179391520 /nfs/dbraw/zinc/39/15/20/179391520.db2.gz GOWIHAPHYJXBGB-ISXOHVOVSA-N 1 0 296.455 2.308 10 0 CEAERO [NH3+][C@@H](CC(=O)NCC1(O)CCCCCC1)c1ccccc1 ZINC000087089793 179393346 /nfs/dbraw/zinc/39/33/46/179393346.db2.gz VXEWZKQQIRZXSB-HNNXBMFYSA-N 1 0 290.407 2.278 10 0 CEAERO C[C@H]([NH2+]CC1(O)CCCCCC1)C(=O)N1CCCCC1 ZINC000087089201 179393507 /nfs/dbraw/zinc/39/35/07/179393507.db2.gz FRSXRTPIJLKOIK-AWEZNQCLSA-N 1 0 282.428 2.062 10 0 CEAERO C[NH2+][C@H](CSC(C)(C)C)Cc1cccnc1N ZINC000087117344 179395653 /nfs/dbraw/zinc/39/56/53/179395653.db2.gz OFMLEWOYSLMHRD-NSHDSACASA-N 1 0 253.415 2.326 10 0 CEAERO C(SC1CCCC1)c1noc(CN2CCC[NH2+]CC2)n1 ZINC000087142025 179397536 /nfs/dbraw/zinc/39/75/36/179397536.db2.gz ILAXUSWYHGWIPE-UHFFFAOYSA-N 1 0 296.440 2.041 10 0 CEAERO CCc1ccc(C[C@]2(O)CC[N@@H+](C3CC3)C2)s1 ZINC000087166325 179398652 /nfs/dbraw/zinc/39/86/52/179398652.db2.gz HDYFNUJXVFYSFZ-CQSZACIVSA-N 1 0 251.395 2.452 10 0 CEAERO C[C@@](O)(Cc1cccc(F)c1F)[C@@H]1CCC[NH2+]C1 ZINC000087172634 179399063 /nfs/dbraw/zinc/39/90/63/179399063.db2.gz VSHWHAUOEKCRLR-BXUZGUMPSA-N 1 0 255.308 2.258 10 0 CEAERO C[NH2+][C@H](CSCC(C)C)Cc1cccnc1N ZINC000087122790 179396019 /nfs/dbraw/zinc/39/60/19/179396019.db2.gz HGLNYUMVWPKPOF-LBPRGKRZSA-N 1 0 253.415 2.184 10 0 CEAERO COc1ccc([C@@H](C[NH3+])[C@@H](O)c2occc2C)cc1 ZINC000087354223 179415569 /nfs/dbraw/zinc/41/55/69/179415569.db2.gz AGUDTAJYZHGOQD-ZIAGYGMSSA-N 1 0 261.321 2.373 10 0 CEAERO COc1ccc([C@H](O)[C@H](C[NH3+])CC(C)C)cc1F ZINC000087379156 179417642 /nfs/dbraw/zinc/41/76/42/179417642.db2.gz AGZDCRSLCBVAKQ-FZMZJTMJSA-N 1 0 255.333 2.489 10 0 CEAERO CCCn1cc(Cl)cc1C(=O)N[C@@H](C[NH3+])C(C)C ZINC000087402955 179419657 /nfs/dbraw/zinc/41/96/57/179419657.db2.gz SDQFVNMTMKRVPW-NSHDSACASA-N 1 0 271.792 2.265 10 0 CEAERO Cc1nc(C[C@H]([NH3+])[C@@H]2CSCCS2)sc1C ZINC000087395609 179419667 /nfs/dbraw/zinc/41/96/67/179419667.db2.gz OTSDYHIRJDETST-UWVGGRQHSA-N 1 0 274.480 2.478 10 0 CEAERO O=S1(=O)C[C@@H](C2(C[NH2+]C3CC3)CCC2)c2ccccc21 ZINC000087411727 179422721 /nfs/dbraw/zinc/42/27/21/179422721.db2.gz WKFWKZSHVOHNDH-CQSZACIVSA-N 1 0 291.416 2.480 10 0 CEAERO CC(C)([NH3+])C(C)(C)C(=O)NCc1ccc(F)cc1 ZINC000087627090 179458381 /nfs/dbraw/zinc/45/83/81/179458381.db2.gz IPFHDKSQNZTHBL-UHFFFAOYSA-N 1 0 252.333 2.205 10 0 CEAERO CCc1nsc(N(CCC[NH3+])C2CCCC2)n1 ZINC000087639537 179461100 /nfs/dbraw/zinc/46/11/00/179461100.db2.gz CQUJDMJDXQXODM-UHFFFAOYSA-N 1 0 254.403 2.198 10 0 CEAERO CCCc1nsc(N2C[C@H](C[NH3+])CC[C@@H]2C)n1 ZINC000087642791 179462198 /nfs/dbraw/zinc/46/21/98/179462198.db2.gz PBSNYPAQSHBJKN-UWVGGRQHSA-N 1 0 254.403 2.054 10 0 CEAERO C[NH2+]CC[C@H]1CCCCN1c1nc(C2CC2)ns1 ZINC000087642821 179462495 /nfs/dbraw/zinc/46/24/95/179462495.db2.gz HMRVZGQDQGIHPW-LLVKDONJSA-N 1 0 266.414 2.384 10 0 CEAERO CC[NH2+]C[C@H]1CCCCN1c1nc(CC)ns1 ZINC000087643782 179462896 /nfs/dbraw/zinc/46/28/96/179462896.db2.gz DQQQBQMJBUKKDZ-SNVBAGLBSA-N 1 0 254.403 2.069 10 0 CEAERO C([NH2+]C1CC1)[C@@H]1CCCN(c2nc(C3CC3)ns2)C1 ZINC000087643863 179463397 /nfs/dbraw/zinc/46/33/97/179463397.db2.gz BANSLSGGQQJQAO-JTQLQIEISA-N 1 0 278.425 2.384 10 0 CEAERO C[C@@H]([NH3+])CCC[C@H](C)c1nc(-c2cnn(C)c2)no1 ZINC000087672478 179467361 /nfs/dbraw/zinc/46/73/61/179467361.db2.gz XSMSFRNGMWBKCT-VHSXEESVSA-N 1 0 263.345 2.091 10 0 CEAERO C[C@@H]([NH3+])CCC[C@H](C)C(=O)NCCC(F)(F)F ZINC000087702423 179473620 /nfs/dbraw/zinc/47/36/20/179473620.db2.gz KUSCZMSQEPTGMI-DTWKUNHWSA-N 1 0 254.296 2.209 10 0 CEAERO C[C@@H]1CCC[C@@](O)(CNC(=O)CCC(C)(C)CC[NH3+])C1 ZINC000087704257 179473663 /nfs/dbraw/zinc/47/36/63/179473663.db2.gz UKDBBSQZSDOGHU-CJNGLKHVSA-N 1 0 284.444 2.199 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)Nc1ccccc1-n1cccn1 ZINC000087519290 179438905 /nfs/dbraw/zinc/43/89/05/179438905.db2.gz IWHTYJZVAXRODZ-LBPRGKRZSA-N 1 0 272.352 2.186 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)Nc1ccccc1Cn1cccn1 ZINC000087519020 179439260 /nfs/dbraw/zinc/43/92/60/179439260.db2.gz IPVBZOZQFJVSON-ZDUSSCGKSA-N 1 0 286.379 2.245 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)Nc1ccc2c(c1)NC(=O)CS2 ZINC000087519793 179439414 /nfs/dbraw/zinc/43/94/14/179439414.db2.gz KPDOCAJWPRBVFO-SECBINFHSA-N 1 0 293.392 2.044 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)N(Cc1cccc(C)c1)C1CC1 ZINC000087525624 179440606 /nfs/dbraw/zinc/44/06/06/179440606.db2.gz AHRAIXDSOMDORP-AWEZNQCLSA-N 1 0 260.381 2.471 10 0 CEAERO C[NH2+]C1(CC(=O)Nc2ccc(OC)nc2)CCCCC1 ZINC000087576671 179448342 /nfs/dbraw/zinc/44/83/42/179448342.db2.gz NVSLAFHHNVBCAY-UHFFFAOYSA-N 1 0 277.368 2.341 10 0 CEAERO CC(=O)Nc1ccc([C@H]2CCCN(CC[NH3+])CC2)cc1 ZINC000616629839 348540481 /nfs/dbraw/zinc/54/04/81/348540481.db2.gz VEKQCPHOFINOLR-AWEZNQCLSA-N 1 0 275.396 2.173 10 0 CEAERO COc1ccc(N[C@@]2(C[NH3+])CCOC(C)(C)C2)cc1 ZINC000087910680 179518808 /nfs/dbraw/zinc/51/88/08/179518808.db2.gz PFARUAOWDOKYEM-HNNXBMFYSA-N 1 0 264.369 2.394 10 0 CEAERO OCCc1ccc([C@@H]2C[NH2+]CCN2Cc2ccccc2)cc1 ZINC000616635161 348541890 /nfs/dbraw/zinc/54/18/90/348541890.db2.gz CNOBROAHHXJIRN-IBGZPJMESA-N 1 0 296.414 2.368 10 0 CEAERO [NH3+]CCN1CCCOC[C@H]1c1ccccc1Cl ZINC000616645880 348545990 /nfs/dbraw/zinc/54/59/90/348545990.db2.gz QIQBDCJXNLVOQT-ZDUSSCGKSA-N 1 0 254.761 2.062 10 0 CEAERO CC[N@@H+]1CCCOC[C@H]1c1cccc(NC(C)=O)c1 ZINC000616649037 348546925 /nfs/dbraw/zinc/54/69/25/348546925.db2.gz JROMREWRJPDFKI-HNNXBMFYSA-N 1 0 262.353 2.428 10 0 CEAERO Nc1ccc([C@H]2COCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000616648411 348547304 /nfs/dbraw/zinc/54/73/04/348547304.db2.gz UVWOZWZFHLPFML-MRXNPFEDSA-N 1 0 283.375 2.458 10 0 CEAERO [NH3+]C[C@@H](NC[C@H]1CCCO1)c1c(F)cccc1Cl ZINC000087928646 179524474 /nfs/dbraw/zinc/52/44/74/179524474.db2.gz VQWAXQCHJBQWBB-BXKDBHETSA-N 1 0 272.751 2.248 10 0 CEAERO COc1ccc(Cl)cc1C[C@]1(C[NH3+])CCC[C@@H]1O ZINC000087931860 179526542 /nfs/dbraw/zinc/52/65/42/179526542.db2.gz JWCUYUVXIHUREZ-KBPBESRZSA-N 1 0 269.772 2.381 10 0 CEAERO CC1(C)CCC(c2noc(CN3CC[NH2+]CC3)n2)CC1 ZINC000087939953 179528243 /nfs/dbraw/zinc/52/82/43/179528243.db2.gz WHUNEOYTQNWSQE-UHFFFAOYSA-N 1 0 278.400 2.159 10 0 CEAERO Cc1nnc(Sc2ccc(C(N)=[NH2+])cc2Cl)n1C ZINC000104177253 185917258 /nfs/dbraw/zinc/91/72/58/185917258.db2.gz WVEHGAKIZSNQJU-UHFFFAOYSA-N 1 0 281.772 2.212 10 0 CEAERO CC(C)[C@@H](CNC(=O)Cc1cccc(N)c1)[NH+]1CCCC1 ZINC000087845950 179499460 /nfs/dbraw/zinc/49/94/60/179499460.db2.gz WAWZNRGIOMYKLU-MRXNPFEDSA-N 1 0 289.423 2.048 10 0 CEAERO CC[NH2+][C@H](CCc1ccsc1)[C@@H]1COCCO1 ZINC000087858095 179503196 /nfs/dbraw/zinc/50/31/96/179503196.db2.gz NOPHEGLCGVEVHN-OLZOCXBDSA-N 1 0 255.383 2.074 10 0 CEAERO O=C(CC1CC1)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000616571659 348524108 /nfs/dbraw/zinc/52/41/08/348524108.db2.gz QOLUEHDVUFRQFE-HUUCEWRRSA-N 1 0 276.355 2.188 10 0 CEAERO CCCC(=O)N1CC[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000616571172 348524124 /nfs/dbraw/zinc/52/41/24/348524124.db2.gz POYFHQVMSZSFJH-UONOGXRCSA-N 1 0 264.344 2.269 10 0 CEAERO [NH3+]C[C@H](n1cc(Cl)cn1)C(F)(F)C(F)(F)F ZINC000616571343 348524215 /nfs/dbraw/zinc/52/42/15/348524215.db2.gz WUZVFMXVBJQDSY-YFKPBYRVSA-N 1 0 263.597 2.234 10 0 CEAERO CC(C)CC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000616572143 348524374 /nfs/dbraw/zinc/52/43/74/348524374.db2.gz VJZMDPPXMCCZTM-LSDHHAIUSA-N 1 0 278.371 2.434 10 0 CEAERO CC(C)(C)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000616572074 348524400 /nfs/dbraw/zinc/52/44/00/348524400.db2.gz UDPVVVSJGCEGNO-UONOGXRCSA-N 1 0 278.371 2.434 10 0 CEAERO NNc1cc(Nc2ccc(Cl)c(F)c2)nc[nH+]1 ZINC000087865206 179505225 /nfs/dbraw/zinc/50/52/25/179505225.db2.gz UPHLDPGINPIREG-UHFFFAOYSA-N 1 0 253.668 2.298 10 0 CEAERO CCOC(=O)c1ccccc1[C@H]1CC[N@H+](C)CCO1 ZINC000616594637 348528651 /nfs/dbraw/zinc/52/86/51/348528651.db2.gz QWNMPCTUUAANBS-CQSZACIVSA-N 1 0 263.337 2.257 10 0 CEAERO Nc1cc([C@@H]2COCCC[N@@H+]2Cc2ccccc2)ccn1 ZINC000616596814 348529442 /nfs/dbraw/zinc/52/94/42/348529442.db2.gz IAGCHRLAIBJWPD-INIZCTEOSA-N 1 0 283.375 2.458 10 0 CEAERO Cc1csc([C@H](C)Nc2nc(NN)[nH+]cc2C)n1 ZINC000087881458 179509483 /nfs/dbraw/zinc/50/94/83/179509483.db2.gz DERNDCKWLWGBDF-QMMMGPOBSA-N 1 0 264.358 2.009 10 0 CEAERO C[C@H]1CC[C@@H](Nc2nc(NN)[nH+]cc2F)C[C@@H]1C ZINC000087882431 179510232 /nfs/dbraw/zinc/51/02/32/179510232.db2.gz DMBRTWMSGVSPQK-XHNCKOQMSA-N 1 0 253.325 2.138 10 0 CEAERO [NH3+]CCN1CCC[C@@H](c2nccc3ccccc32)C1 ZINC000616609402 348533539 /nfs/dbraw/zinc/53/35/39/348533539.db2.gz VMFFTGPIYJCSQB-CQSZACIVSA-N 1 0 255.365 2.373 10 0 CEAERO CCOC(=O)c1cccc([C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000616615893 348534730 /nfs/dbraw/zinc/53/47/30/348534730.db2.gz DWGRAUYAJHPINS-HNNXBMFYSA-N 1 0 277.364 2.383 10 0 CEAERO CCOC(=O)c1cccc([C@@H]2CCCCN2CC[NH3+])c1 ZINC000616616130 348534919 /nfs/dbraw/zinc/53/49/19/348534919.db2.gz IPFVDRBGZIOTCO-HNNXBMFYSA-N 1 0 276.380 2.349 10 0 CEAERO CCOC(=O)c1cccc([C@H]2CCCN(CC[NH3+])C2)c1 ZINC000616622002 348537676 /nfs/dbraw/zinc/53/76/76/348537676.db2.gz XQYZFGOXWWUUNG-HNNXBMFYSA-N 1 0 276.380 2.001 10 0 CEAERO C[NH2+][C@H](Cc1cnn(C)c1)[C@H]1CCc2ccccc2C1 ZINC000088033572 179537340 /nfs/dbraw/zinc/53/73/40/179537340.db2.gz QETQDEVRRRJKQA-DLBZAZTESA-N 1 0 269.392 2.356 10 0 CEAERO CC[C@H]([NH3+])Cc1nc([C@@H]2COc3ccccc3C2)no1 ZINC000088043201 179538727 /nfs/dbraw/zinc/53/87/27/179538727.db2.gz JQPLCMHEFOOXBO-RYUDHWBXSA-N 1 0 273.336 2.068 10 0 CEAERO C[C@@H](C[NH3+])[S@@](=O)Cc1ccc(Br)cc1 ZINC000088067645 179543842 /nfs/dbraw/zinc/54/38/42/179543842.db2.gz RRYZFCVQCYRKSU-RMLUDKJBSA-N 1 0 276.199 2.045 10 0 CEAERO CC[C@H]([NH3+])C[S@](=O)Cc1ccc(Cl)s1 ZINC000088073389 179544517 /nfs/dbraw/zinc/54/45/17/179544517.db2.gz GNIGVMYNZUFWEZ-JKYUHCHBSA-N 1 0 251.804 2.388 10 0 CEAERO C[C@H]([NH3+])CC[S@@](=O)Cc1c(F)cccc1Cl ZINC000088075675 179544690 /nfs/dbraw/zinc/54/46/90/179544690.db2.gz JCLZQQJPDPZXDQ-PWJLMRLQSA-N 1 0 263.765 2.465 10 0 CEAERO O[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccc2c(c1)CCO2 ZINC000088101929 179548133 /nfs/dbraw/zinc/54/81/33/179548133.db2.gz NXWPOBRVCVJUPA-LSDHHAIUSA-N 1 0 261.365 2.057 10 0 CEAERO C[C@@H](c1ccc2c(c1)OCCO2)N1CC[NH2+]CC1(C)C ZINC000088138216 179555603 /nfs/dbraw/zinc/55/56/03/179555603.db2.gz PXGNPRAOSIGZFQ-LBPRGKRZSA-N 1 0 276.380 2.203 10 0 CEAERO CCC[NH2+][C@@H]1CCCc2c(OCC(=O)NC)cccc21 ZINC000088152368 179557639 /nfs/dbraw/zinc/55/76/39/179557639.db2.gz TYGMCRCSTOGUEO-CQSZACIVSA-N 1 0 276.380 2.188 10 0 CEAERO CCOCCCOc1c(C)cc(C(N)=[NH2+])cc1C ZINC000088163415 179559229 /nfs/dbraw/zinc/55/92/29/179559229.db2.gz MGZUBVXRJRYYCV-UHFFFAOYSA-N 1 0 250.342 2.393 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)Nc1c(C)ccnc1Cl ZINC000088189034 179562171 /nfs/dbraw/zinc/56/21/71/179562171.db2.gz RRXKLXJHMIPSPE-SECBINFHSA-N 1 0 255.749 2.357 10 0 CEAERO COC(=O)Nc1ccc(C(N)=[NH2+])c(C(F)(F)F)c1 ZINC000088191699 179562279 /nfs/dbraw/zinc/56/22/79/179562279.db2.gz LBEPQJLTNXTWFX-UHFFFAOYSA-N 1 0 261.203 2.168 10 0 CEAERO c1cc([C@@H]2COCC[N@@H+](Cc3ccccc3)C2)on1 ZINC000616660881 348553105 /nfs/dbraw/zinc/55/31/05/348553105.db2.gz QTYIBKCSKWANTL-AWEZNQCLSA-N 1 0 258.321 2.291 10 0 CEAERO CC[C@@H]1CC[N@H+](CCNC(=O)OC(C)(C)C)CCO1 ZINC000616665556 348554743 /nfs/dbraw/zinc/55/47/43/348554743.db2.gz MGHJPYZTVLEESD-GFCCVEGCSA-N 1 0 272.389 2.012 10 0 CEAERO CC(C)C[C@H](C[NH3+])CC(=O)Nc1cccc(CO)c1 ZINC000088276709 179574105 /nfs/dbraw/zinc/57/41/05/179574105.db2.gz FWVSJSLURSWTIR-ZDUSSCGKSA-N 1 0 264.369 2.129 10 0 CEAERO [NH3+]CCN1C[C@@H](c2ccccc2CCO)Cc2ccccc21 ZINC000616673458 348556537 /nfs/dbraw/zinc/55/65/37/348556537.db2.gz YBWOXQBVRWPPML-KRWDZBQOSA-N 1 0 296.414 2.326 10 0 CEAERO CCOC(=O)c1cccc([C@@H]2CC[N@H+](C)CCO2)c1 ZINC000616684041 348560278 /nfs/dbraw/zinc/56/02/78/348560278.db2.gz ANHOKVVPFDWPSN-AWEZNQCLSA-N 1 0 263.337 2.257 10 0 CEAERO [NH3+]CCN1c2ccccc2NC[C@H]1c1ccccc1CCO ZINC000616686674 348560807 /nfs/dbraw/zinc/56/08/07/348560807.db2.gz NXBDCZUIKLICDJ-SFHVURJKSA-N 1 0 297.402 2.153 10 0 CEAERO Cc1ccccc1OC[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000088397965 179592122 /nfs/dbraw/zinc/59/21/22/179592122.db2.gz BOOJPLQUIDLRNA-JKSUJKDBSA-N 1 0 271.360 2.305 10 0 CEAERO CC[NH2+][C@H](Cc1ncnn1C)C(C)(C)c1ccc(F)cc1 ZINC000088582302 179630319 /nfs/dbraw/zinc/63/03/19/179630319.db2.gz RTVFBWSQWZXNMV-CQSZACIVSA-N 1 0 290.386 2.453 10 0 CEAERO CCCn1ncnc1CN(C)C1(C[NH3+])CCC(C)CC1 ZINC000088585939 179631135 /nfs/dbraw/zinc/63/11/35/179631135.db2.gz IXSWQWXWNCKOCV-UHFFFAOYSA-N 1 0 279.432 2.028 10 0 CEAERO CC[C@H]1CC[C@]([NH3+])(Cc2ncnn2CC(C)C)C1 ZINC000088607338 179636449 /nfs/dbraw/zinc/63/64/49/179636449.db2.gz KYUYETJSDXKOQQ-GXTWGEPZSA-N 1 0 250.390 2.384 10 0 CEAERO CC(C)Cn1ncnc1C[C@@](C)([NH3+])c1ccccc1F ZINC000088606956 179636465 /nfs/dbraw/zinc/63/64/65/179636465.db2.gz HCWOYOZPQCFESU-OAHLLOKOSA-N 1 0 276.359 2.490 10 0 CEAERO COc1ccccc1[C@](C)([NH3+])Cc1ncnn1C(C)C ZINC000088607075 179636543 /nfs/dbraw/zinc/63/65/43/179636543.db2.gz CDTVVZXNFYXNBB-OAHLLOKOSA-N 1 0 274.368 2.284 10 0 CEAERO CC(C)Cn1ncnc1C[C@@](C)([NH3+])c1ccccc1 ZINC000088606880 179636742 /nfs/dbraw/zinc/63/67/42/179636742.db2.gz NQJYEZCFSXGRAU-OAHLLOKOSA-N 1 0 258.369 2.351 10 0 CEAERO CC[NH2+][C@@H](Cc1cccs1)Cc1ncnn1CC ZINC000088611645 179638654 /nfs/dbraw/zinc/63/86/54/179638654.db2.gz KJQLPCPDWUHTMG-NSHDSACASA-N 1 0 264.398 2.123 10 0 CEAERO CCn1ncnc1C[C@@H]([NH3+])C(C)(C)c1ccc(F)cc1 ZINC000088612598 179639452 /nfs/dbraw/zinc/63/94/52/179639452.db2.gz WOBKPJVPZOAXQF-CYBMUJFWSA-N 1 0 276.359 2.285 10 0 CEAERO CC[NH2+]CC1(Cc2ncnn2CC)CCCCC1 ZINC000088621052 179641103 /nfs/dbraw/zinc/64/11/03/179641103.db2.gz HXUOCJGHJWZHPJ-UHFFFAOYSA-N 1 0 250.390 2.401 10 0 CEAERO CCCn1ncnc1CN1CC(C)(C)[NH2+]C[C@@]1(C)CC ZINC000088625293 179642677 /nfs/dbraw/zinc/64/26/77/179642677.db2.gz YVBNPYKPSHODBE-OAHLLOKOSA-N 1 0 279.432 2.041 10 0 CEAERO Cc1c(C(=O)N[C@@H]2CCCCC[C@H]2C)cnn1CCC[NH3+] ZINC000088505659 179615479 /nfs/dbraw/zinc/61/54/79/179615479.db2.gz VRSMXDYXZBIICS-IUODEOHRSA-N 1 0 292.427 2.239 10 0 CEAERO C[NH2+][C@@H](Cc1nc2ccccc2o1)[C@H]1CCCOC1 ZINC000088518284 179617625 /nfs/dbraw/zinc/61/76/25/179617625.db2.gz CRWLCJGPXZMXPE-AAEUAGOBSA-N 1 0 260.337 2.385 10 0 CEAERO C[C@@H]1CC[C@@H](C)N(C(=O)Cc2ccc(C[NH3+])cc2)C1 ZINC000088701909 179652045 /nfs/dbraw/zinc/65/20/45/179652045.db2.gz DXVRAASSGFZXNG-CHWSQXEVSA-N 1 0 260.381 2.335 10 0 CEAERO C[C@H]1CC[C@H](C)N(S(=O)(=O)Cc2cccc(C[NH3+])c2)C1 ZINC000088704742 179653560 /nfs/dbraw/zinc/65/35/60/179653560.db2.gz FOUPRQSAYHSDCT-STQMWFEESA-N 1 0 296.436 2.096 10 0 CEAERO C[C@@]([NH3+])(C(=O)Nc1c(F)cc(F)cc1F)C1CC1 ZINC000088721642 179658176 /nfs/dbraw/zinc/65/81/76/179658176.db2.gz ZVGNPMQCUVKWHA-LBPRGKRZSA-N 1 0 258.243 2.170 10 0 CEAERO CCOCc1noc(C2([NH3+])CCC(CC)CC2)n1 ZINC000088737379 179661311 /nfs/dbraw/zinc/66/13/11/179661311.db2.gz HYYDNWBZUJTTNR-UHFFFAOYSA-N 1 0 253.346 2.360 10 0 CEAERO CCc1nc(CC)n(-c2cc(Cl)ccc2C(N)=[NH2+])n1 ZINC000088741742 179662693 /nfs/dbraw/zinc/66/26/93/179662693.db2.gz JCDQOBDGJKUVKL-UHFFFAOYSA-N 1 0 277.759 2.330 10 0 CEAERO C[NH2+]Cc1ccc(CS(=O)(=O)NC2CCCCC2)cc1 ZINC000088974958 179688125 /nfs/dbraw/zinc/68/81/25/179688125.db2.gz QEFVYKLIAOUFCC-UHFFFAOYSA-N 1 0 296.436 2.158 10 0 CEAERO [NH3+]CCN(C(=O)CCC(F)(F)F)C1CCCC1 ZINC000088832388 179679436 /nfs/dbraw/zinc/67/94/36/179679436.db2.gz PXLYFDJEAYBHTO-UHFFFAOYSA-N 1 0 252.280 2.059 10 0 CEAERO CC(C)C[C@H](C[NH3+])CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000088277316 539671102 /nfs/dbraw/zinc/67/11/02/539671102.db2.gz SOCTZZZPCUXDSC-KKUMJFAQSA-N 1 0 282.428 2.168 10 0 CEAERO Cc1nn(C)c(N2CCC[C@H]2C(C)C)c1C[C@@H](C)[NH3+] ZINC000088851606 179683283 /nfs/dbraw/zinc/68/32/83/179683283.db2.gz VXZUVRFLVSEHLV-RISCZKNCSA-N 1 0 264.417 2.243 10 0 CEAERO CCCC1(c2nc3cnccc3n2C)CC[NH2+]CC1 ZINC000088861134 179685052 /nfs/dbraw/zinc/68/50/52/179685052.db2.gz OJTDQTIOXCQRNX-UHFFFAOYSA-N 1 0 258.369 2.390 10 0 CEAERO COC(C[NH2+][C@@H]1CCC[C@@H](OCC(F)(F)F)C1)OC ZINC000104237986 185939689 /nfs/dbraw/zinc/93/96/89/185939689.db2.gz HDMXMFATAIYZKK-NXEZZACHSA-N 1 0 285.306 2.085 10 0 CEAERO C[NH2+]CCCCS(=O)(=O)N1CCC[C@H](C(C)C)CC1 ZINC000089047377 179693240 /nfs/dbraw/zinc/69/32/40/179693240.db2.gz FFBBCSZTEIDBCV-AWEZNQCLSA-N 1 0 290.473 2.074 10 0 CEAERO C[NH2+]Cc1cccc(CS(=O)(=O)NC2(C)CCCC2)c1 ZINC000089049193 179693390 /nfs/dbraw/zinc/69/33/90/179693390.db2.gz INXGSSRAPKCVCA-UHFFFAOYSA-N 1 0 296.436 2.158 10 0 CEAERO CCN(C(=O)c1ccco1)[C@H]1CCCC[C@H]1C[NH3+] ZINC000089135090 179714401 /nfs/dbraw/zinc/71/44/01/179714401.db2.gz SNAKZFXVMYLNSQ-RYUDHWBXSA-N 1 0 250.342 2.259 10 0 CEAERO CCNC(=O)c1ccc(N[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000089143406 179721417 /nfs/dbraw/zinc/72/14/17/179721417.db2.gz SIMXQNZZUVBXNL-ZFWWWQNUSA-N 1 0 275.396 2.366 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1Nc1cccc(-c2nnco2)c1 ZINC000089147935 179723986 /nfs/dbraw/zinc/72/39/86/179723986.db2.gz AVJDMDTXJZZHDL-AAEUAGOBSA-N 1 0 258.325 2.276 10 0 CEAERO Cc1csc(C[C@H]([NH3+])Cc2nn(C)c3ccccc23)n1 ZINC000089177766 179742952 /nfs/dbraw/zinc/74/29/52/179742952.db2.gz YZZNISFJBVYYIR-LLVKDONJSA-N 1 0 286.404 2.451 10 0 CEAERO Cn1nc(CN2CC[NH2+]C[C@]2(C)C2CC2)c2ccccc21 ZINC000089180273 179744043 /nfs/dbraw/zinc/74/40/43/179744043.db2.gz OEFWXODWDOWKOS-QGZVFWFLSA-N 1 0 284.407 2.147 10 0 CEAERO CCc1cc(CN2CCCC[C@H]2C[NH2+]C)n(CC)n1 ZINC000089185748 179746832 /nfs/dbraw/zinc/74/68/32/179746832.db2.gz WWUWGKIPHDKJFQ-AWEZNQCLSA-N 1 0 264.417 2.039 10 0 CEAERO CCn1nc(C)cc1CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000089188466 179747307 /nfs/dbraw/zinc/74/73/07/179747307.db2.gz QIGHSUZYURAGDY-HOTGVXAUSA-N 1 0 276.428 2.318 10 0 CEAERO COc1cc(C(N)=[NH2+])ccc1OCc1csc(C)n1 ZINC000089234233 179759331 /nfs/dbraw/zinc/75/93/31/179759331.db2.gz YACVXGQTGAESGJ-UHFFFAOYSA-N 1 0 277.349 2.323 10 0 CEAERO C[NH2+][C@@H](Cc1c(Cl)c(C)nn1C)c1ccoc1 ZINC000089251766 179760526 /nfs/dbraw/zinc/76/05/26/179760526.db2.gz XYFBSLPLVJYIIJ-JTQLQIEISA-N 1 0 253.733 2.478 10 0 CEAERO Cc1cc(C[C@@H]([NH3+])Cc2cccc(Cl)c2)n(C)n1 ZINC000089192696 179749643 /nfs/dbraw/zinc/74/96/43/179749643.db2.gz UUDJHXFXBPYDRM-ZDUSSCGKSA-N 1 0 263.772 2.494 10 0 CEAERO CC[NH2+][C@H](Cc1cc(C)nn1CC)Cc1cccnc1 ZINC000089194167 179749750 /nfs/dbraw/zinc/74/97/50/179749750.db2.gz KPMMCFYZIHEQBR-HNNXBMFYSA-N 1 0 272.396 2.370 10 0 CEAERO CCc1cc(Cn2nc(C)c([C@@H]([NH3+])CC)c2C)n(C)n1 ZINC000089206575 179754108 /nfs/dbraw/zinc/75/41/08/179754108.db2.gz FZLFWWMTLJKMQN-AWEZNQCLSA-N 1 0 275.400 2.254 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCc1nc2ccccc2s1 ZINC000089459501 539718498 /nfs/dbraw/zinc/71/84/98/539718498.db2.gz NWMIISIOYOWNLZ-WDEREUQCSA-N 1 0 289.404 2.288 10 0 CEAERO CCc1cc(CN2CC3(CCCC3)[NH2+]C[C@H]2C)n(C)n1 ZINC000089210620 179755604 /nfs/dbraw/zinc/75/56/04/179755604.db2.gz AEYFSGZNLHEMID-CYBMUJFWSA-N 1 0 276.428 2.089 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCc1ccc(Cl)s1 ZINC000089462960 539718815 /nfs/dbraw/zinc/71/88/15/539718815.db2.gz GFDRCVIEHFZDSY-WCBMZHEXSA-N 1 0 272.801 2.393 10 0 CEAERO COc1cc(F)ccc1NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089460648 539718827 /nfs/dbraw/zinc/71/88/27/539718827.db2.gz HTWQXLVKGIRHSP-GXSJLCMTSA-N 1 0 266.316 2.148 10 0 CEAERO [NH3+]C[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000104309791 185962452 /nfs/dbraw/zinc/96/24/52/185962452.db2.gz STCVTLOFVSWTPT-IXUJDMMCSA-N 1 0 262.397 2.153 10 0 CEAERO CCN(Cc1ccco1)C(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089391635 179778951 /nfs/dbraw/zinc/77/89/51/179778951.db2.gz DKYFKHQOZUVJTI-OCCSQVGLSA-N 1 0 264.369 2.393 10 0 CEAERO CN(CCC(F)(F)F)C(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089401499 179781969 /nfs/dbraw/zinc/78/19/69/179781969.db2.gz UXGJGYNXOAMCLE-ZJUUUORDSA-N 1 0 266.307 2.162 10 0 CEAERO Cc1nnc([C@@H]2CCC[C@H]2C[NH3+])n1-c1ccccc1 ZINC000089437112 179788270 /nfs/dbraw/zinc/78/82/70/179788270.db2.gz WQJQZJVOBYBUNL-GXTWGEPZSA-N 1 0 256.353 2.418 10 0 CEAERO CCC[NH+]1CCC([NH2+]C[C@H]2CCCC[C@H]2C(=O)[O-])CC1 ZINC000089445062 179790655 /nfs/dbraw/zinc/79/06/55/179790655.db2.gz BPIMCXLPANFEFA-UKRRQHHQSA-N 1 0 282.428 2.341 10 0 CEAERO Cc1ccc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])cc1F ZINC000089449669 179791577 /nfs/dbraw/zinc/79/15/77/179791577.db2.gz GBFWTQOFXODKPX-CMPLNLGQSA-N 1 0 250.317 2.448 10 0 CEAERO Cc1ccsc1CN(C)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089456032 179794085 /nfs/dbraw/zinc/79/40/85/179794085.db2.gz FMRSTDFUGRZZSJ-VXGBXAGGSA-N 1 0 266.410 2.390 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCCc1ccc(Cl)cc1 ZINC000089460003 179795117 /nfs/dbraw/zinc/79/51/17/179795117.db2.gz CPQDYPUWHLIHFW-JSGCOSHPSA-N 1 0 280.799 2.374 10 0 CEAERO CC(=O)c1ccc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089460026 179795373 /nfs/dbraw/zinc/79/53/73/179795373.db2.gz VSUZYTJOXSTRCC-OCCSQVGLSA-N 1 0 260.337 2.203 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccc(F)cc1 ZINC000089459343 179795435 /nfs/dbraw/zinc/79/54/35/179795435.db2.gz LTZZNZACCCKFPW-ZKYQVNSYSA-N 1 0 264.344 2.378 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1c1nc([C@@H]2CCCO2)no1 ZINC000089383705 179776098 /nfs/dbraw/zinc/77/60/98/179776098.db2.gz DDIZBBMDCJATAM-DCAQKATOSA-N 1 0 251.330 2.154 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1c1nc(C[C@@H]2CCCO2)no1 ZINC000089383378 179776139 /nfs/dbraw/zinc/77/61/39/179776139.db2.gz GEZFWAFLTYOHRU-SDDRHHMPSA-N 1 0 265.357 2.024 10 0 CEAERO CC(C)(C)n1ccnc(OC[C@H]2CCCC[C@@H]2C[NH3+])c1=O ZINC000089537518 179812903 /nfs/dbraw/zinc/81/29/03/179812903.db2.gz WXWCMBGLDVOXAT-CHWSQXEVSA-N 1 0 293.411 2.142 10 0 CEAERO NC(=O)c1ccc(OC[C@H]2CCC[C@H]2C[NH3+])cc1Cl ZINC000089538328 179813341 /nfs/dbraw/zinc/81/33/41/179813341.db2.gz LHHYDUAMXTVSHX-VHSXEESVSA-N 1 0 282.771 2.193 10 0 CEAERO CN(C)c1nnc(Sc2ccccc2C(N)=[NH2+])s1 ZINC000104317166 185964712 /nfs/dbraw/zinc/96/47/12/185964712.db2.gz PLUOARLWCKEWNG-UHFFFAOYSA-N 1 0 279.394 2.039 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1CNC(=O)c1c(F)cc(F)cc1F ZINC000089500772 179804866 /nfs/dbraw/zinc/80/48/66/179804866.db2.gz ZUEMAFNIMCLHAW-IUCAKERBSA-N 1 0 286.297 2.209 10 0 CEAERO CCOc1ccccc1C(=O)NC[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089500442 179805149 /nfs/dbraw/zinc/80/51/49/179805149.db2.gz CKHIVMXZBZYQHS-OLZOCXBDSA-N 1 0 276.380 2.190 10 0 CEAERO O=C(C[C@H]1CC[NH2+]C1)N(Cc1ccsc1)C1CC1 ZINC000089746317 179858517 /nfs/dbraw/zinc/85/85/17/179858517.db2.gz YIRXUFHGRFBXOO-LLVKDONJSA-N 1 0 264.394 2.239 10 0 CEAERO CC1CCC(CO)(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)CC1 ZINC000089585318 179824806 /nfs/dbraw/zinc/82/48/06/179824806.db2.gz OIIDORVRQNPGDQ-PYBGIAKNSA-N 1 0 267.413 2.429 10 0 CEAERO C[C@@H]1CN(C(=O)c2cc(F)c(F)c(F)c2)C[C@@H]1[NH+](C)C ZINC000089710110 179850646 /nfs/dbraw/zinc/85/06/46/179850646.db2.gz GJSWYUKDUFOKHO-PELKAZGASA-N 1 0 286.297 2.126 10 0 CEAERO C[C@@H]1CN(C(=O)c2cc3ccccc3[nH]2)C[C@@H]1[NH+](C)C ZINC000089710186 179851030 /nfs/dbraw/zinc/85/10/30/179851030.db2.gz WZAWNBKJPCPXQP-ABAIWWIYSA-N 1 0 271.364 2.190 10 0 CEAERO O=C(C[C@@H]1CC[NH2+]C1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000089742937 539730441 /nfs/dbraw/zinc/73/04/41/539730441.db2.gz FVSDAPSQBPVGBA-AXFHLTTASA-N 1 0 278.318 2.223 10 0 CEAERO CCCC[C@@H]([NH2+]C[C@](C)(O)CO)c1ccccc1 ZINC000090285980 179948783 /nfs/dbraw/zinc/94/87/83/179948783.db2.gz DHMYVLYKWRJDEH-CABCVRRESA-N 1 0 251.370 2.251 10 0 CEAERO CCCN(Cc1ccnc2ccccc12)C1C[NH2+]C1 ZINC000090292421 179951217 /nfs/dbraw/zinc/95/12/17/179951217.db2.gz KRGFMOOICSJSDC-UHFFFAOYSA-N 1 0 255.365 2.419 10 0 CEAERO CCN(Cc1c(F)c(F)c(F)c(F)c1F)C1C[NH2+]C1 ZINC000090291913 179951399 /nfs/dbraw/zinc/95/13/99/179951399.db2.gz YRWBSMAHYQWCHZ-UHFFFAOYSA-N 1 0 280.240 2.176 10 0 CEAERO CCOC(=O)C[C@H](c1cncn1CC)[NH+](CC)CC ZINC000090203621 179930852 /nfs/dbraw/zinc/93/08/52/179930852.db2.gz KRYJUZRUDJOXDJ-GFCCVEGCSA-N 1 0 267.373 2.239 10 0 CEAERO CCC[NH2+][C@@H](CC(=O)OCC)c1cncn1CCC ZINC000090207416 179933291 /nfs/dbraw/zinc/93/32/91/179933291.db2.gz DPFNEIDQSFJVPU-LBPRGKRZSA-N 1 0 267.373 2.287 10 0 CEAERO CC(C)C[NH2+]Cc1cncn1CC1CCOCC1 ZINC000090242594 179939420 /nfs/dbraw/zinc/93/94/20/179939420.db2.gz RHNGDAVFPLKWKT-UHFFFAOYSA-N 1 0 251.374 2.055 10 0 CEAERO COC(OC)[C@](C)(C[NH3+])N(C)Cc1ccc(Cl)s1 ZINC000090266466 179942337 /nfs/dbraw/zinc/94/23/37/179942337.db2.gz VYCKLNOAFRFHSY-LBPRGKRZSA-N 1 0 292.832 2.170 10 0 CEAERO CC(C)(C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1(C)C)c1ccccc1 ZINC000090335991 179965000 /nfs/dbraw/zinc/96/50/00/179965000.db2.gz IZRSFNKJBJLUNJ-UKRRQHHQSA-N 1 0 286.419 2.421 10 0 CEAERO Cc1ccccc1CCC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1(C)C ZINC000090335814 179965051 /nfs/dbraw/zinc/96/50/51/179965051.db2.gz XZJUCXGXYCABDE-HZPDHXFCSA-N 1 0 286.419 2.384 10 0 CEAERO COC(=O)c1ccc(CSCC[C@@H](C)[NH3+])cc1 ZINC000090345858 179970108 /nfs/dbraw/zinc/97/01/08/179970108.db2.gz PXSFIDJECAEDRW-SNVBAGLBSA-N 1 0 253.367 2.444 10 0 CEAERO CCN(C(C)=O)c1nc(CSCCC[NH3+])cs1 ZINC000090344830 179970174 /nfs/dbraw/zinc/97/01/74/179970174.db2.gz VTZWFSBUDCAIGX-UHFFFAOYSA-N 1 0 273.427 2.098 10 0 CEAERO C[C@@H]([NH3+])CCSCc1nc(-c2ccccn2)no1 ZINC000090346431 179970697 /nfs/dbraw/zinc/97/06/97/179970697.db2.gz OEKPDFUVSIYKLJ-SECBINFHSA-N 1 0 264.354 2.102 10 0 CEAERO CC[C@@H]([NH3+])CSCC(=O)N1CCc2ccccc21 ZINC000090356755 179974730 /nfs/dbraw/zinc/97/47/30/179974730.db2.gz GKVHALHQIYHORS-GFCCVEGCSA-N 1 0 264.394 2.046 10 0 CEAERO c1c(C[NH2+]C2CC2)nnn1-c1ccc2ncccc2c1 ZINC000090300218 179953958 /nfs/dbraw/zinc/95/39/58/179953958.db2.gz OVNBQSCTKHJGGJ-UHFFFAOYSA-N 1 0 265.320 2.068 10 0 CEAERO CC[NH2+][C@H]1COC[C@@H]1C(=O)N1CCC2(CCCCC2)CC1 ZINC000090492335 179991704 /nfs/dbraw/zinc/99/17/04/179991704.db2.gz BDSRPXPRMLEPEF-GJZGRUSLSA-N 1 0 294.439 2.184 10 0 CEAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000623764896 350106334 /nfs/dbraw/zinc/10/63/34/350106334.db2.gz LJDBJVAMXSOUBQ-NWDGAFQWSA-N 1 0 276.163 2.233 10 0 CEAERO CC[NH2+][C@@H]1COC[C@@H]1CN(C)c1cc(C)cc(C)c1 ZINC000090494639 179993342 /nfs/dbraw/zinc/99/33/42/179993342.db2.gz OFKWEGQPDCIELJ-GOEBONIOSA-N 1 0 262.397 2.364 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1c1nc2cc(F)ccc2n1C ZINC000090526863 179997774 /nfs/dbraw/zinc/99/77/74/179997774.db2.gz CPXIZEWCTCJVFD-DGCLKSJQSA-N 1 0 277.343 2.194 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1c1nc2cc(F)ccc2o1 ZINC000090529223 179998736 /nfs/dbraw/zinc/99/87/36/179998736.db2.gz BKDVOQXMMNHAOP-JQWIXIFHSA-N 1 0 264.300 2.449 10 0 CEAERO Cc1cccc(C)c1NC(=O)CSCC1C[NH2+]C1 ZINC000090713111 180028443 /nfs/dbraw/zinc/02/84/43/180028443.db2.gz KDJMFMGNWAELDM-UHFFFAOYSA-N 1 0 264.394 2.195 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1cccc(C)c1C ZINC000090539167 180000284 /nfs/dbraw/zinc/00/02/84/180000284.db2.gz XLUARFLUVHJHRJ-UKRRQHHQSA-N 1 0 276.380 2.257 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccc2c(c1)CCC2 ZINC000090538706 180000433 /nfs/dbraw/zinc/00/04/33/180000433.db2.gz RNSGTJHLOVKOGZ-HZPDHXFCSA-N 1 0 288.391 2.128 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N(C)[C@@H](C)c1cccs1 ZINC000090542231 180001292 /nfs/dbraw/zinc/00/12/92/180001292.db2.gz YCCGQLCOWBKVQQ-RWMBFGLXSA-N 1 0 296.436 2.282 10 0 CEAERO CCCn1c2ccccc2nc1[C@@]1(C)COC[C@H]1[NH3+] ZINC000090571667 180007517 /nfs/dbraw/zinc/00/75/17/180007517.db2.gz OFPLAWNPDYZNSF-HIFRSBDPSA-N 1 0 259.353 2.062 10 0 CEAERO COC(C[C@H](C[NH3+])N(C)Cc1cccc(Cl)c1)OC ZINC000090625117 180015766 /nfs/dbraw/zinc/01/57/66/180015766.db2.gz SDTCIXJEMCOFBH-CYBMUJFWSA-N 1 0 286.803 2.108 10 0 CEAERO C[C@H](OCCOc1ccc(C[NH3+])cc1)C(F)(F)F ZINC000090671924 180020854 /nfs/dbraw/zinc/02/08/54/180020854.db2.gz VLLRHNJYYBPEAW-VIFPVBQESA-N 1 0 263.259 2.492 10 0 CEAERO CC(C)[NH2+][C@@](C)(CCCCO[C@@H](C)C(F)(F)F)C(N)=O ZINC000090674192 180021417 /nfs/dbraw/zinc/02/14/17/180021417.db2.gz KHTUGIGHQLGKCT-JQWIXIFHSA-N 1 0 298.349 2.366 10 0 CEAERO C[NH2+][C@@](C)(CO)CCCCO[C@H](C)C(F)(F)F ZINC000090675989 180022296 /nfs/dbraw/zinc/02/22/96/180022296.db2.gz FLAOZEMXXKASRC-NXEZZACHSA-N 1 0 257.296 2.095 10 0 CEAERO Cc1ccncc1[C@H]([NH3+])[C@H]1COc2ccccc2O1 ZINC000090710176 180028122 /nfs/dbraw/zinc/02/81/22/180028122.db2.gz DRLRPVWTCOLLDA-CABCVRRESA-N 1 0 256.305 2.230 10 0 CEAERO [NH3+]Cc1nc(-c2nnc3ccc(C(F)(F)F)cn32)cs1 ZINC000090933469 180066529 /nfs/dbraw/zinc/06/65/29/180066529.db2.gz YOKJHGWYOPKTPF-UHFFFAOYSA-N 1 0 299.281 2.330 10 0 CEAERO CCCN(c1cc(OCC)ncn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000090784320 180039410 /nfs/dbraw/zinc/03/94/10/180039410.db2.gz SNHNSWDXWCRZRR-PBWFPOADSA-N 1 0 290.411 2.375 10 0 CEAERO COc1cc(N(CCC[NH3+])c2ccccc2F)nc(C)n1 ZINC000090786926 180040728 /nfs/dbraw/zinc/04/07/28/180040728.db2.gz ANMAGFGNVLQEAR-UHFFFAOYSA-N 1 0 290.342 2.420 10 0 CEAERO COc1ncnc(N[C@H](C)c2ccc(C[NH3+])cc2)c1C ZINC000090788697 180041347 /nfs/dbraw/zinc/04/13/47/180041347.db2.gz XOIBCBSRUDHPKN-LLVKDONJSA-N 1 0 272.352 2.425 10 0 CEAERO CCOc1ncnc(N[C@@H]2CCCC[C@H]2C[NH3+])c1C ZINC000090789713 180042122 /nfs/dbraw/zinc/04/21/22/180042122.db2.gz PGMQHZQFSZGNIE-NWDGAFQWSA-N 1 0 264.373 2.113 10 0 CEAERO CCCN(c1ncnc(OCC)c1C)[C@@H]1CCC[NH2+]C1 ZINC000090789646 180042214 /nfs/dbraw/zinc/04/22/14/180042214.db2.gz BTNCTCSXIWIBBZ-CYBMUJFWSA-N 1 0 278.400 2.152 10 0 CEAERO Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)[S@](C)=O)CC2 ZINC000090841883 180043809 /nfs/dbraw/zinc/04/38/09/180043809.db2.gz VVIVNPLXCDZFSU-JDSLSITLSA-N 1 0 251.395 2.339 10 0 CEAERO C[C@H](C[NH2+][C@@H](C)c1cccnc1Cl)[S@](C)=O ZINC000090842356 180044804 /nfs/dbraw/zinc/04/48/04/180044804.db2.gz NWVFVBRPCAMWHA-YNEJBJPTSA-N 1 0 260.790 2.153 10 0 CEAERO C[NH2+][C@@H]1C[C@H](Oc2c(C)nn(C)c2C)C12CCCC2 ZINC000090865736 180047767 /nfs/dbraw/zinc/04/77/67/180047767.db2.gz XLMHBXZOWVCKOK-OLZOCXBDSA-N 1 0 263.385 2.336 10 0 CEAERO C[NH2+][C@@H]1C[C@@H](O[C@@H]2CCOC2)C12CCCCCC2 ZINC000090864185 180047814 /nfs/dbraw/zinc/04/78/14/180047814.db2.gz SUSLGGKIYHMWEC-MGPQQGTHSA-N 1 0 253.386 2.493 10 0 CEAERO CCNC(=O)[C@@H](C)Sc1cccc(C[NH2+]CC)c1 ZINC000090871130 180049464 /nfs/dbraw/zinc/04/94/64/180049464.db2.gz CRQHEWCLTDWGIK-LLVKDONJSA-N 1 0 266.410 2.413 10 0 CEAERO CC(C)[NH2+]Cc1cccc(SCCOCCO)c1 ZINC000090871811 180049729 /nfs/dbraw/zinc/04/97/29/180049729.db2.gz CXRPBFYZFIEDLO-UHFFFAOYSA-N 1 0 269.410 2.286 10 0 CEAERO CCC[NH2+]Cc1cccc(S[C@@H](C)C(N)=O)c1 ZINC000090871726 180049765 /nfs/dbraw/zinc/04/97/65/180049765.db2.gz TVRSWOBJMINVKZ-JTQLQIEISA-N 1 0 252.383 2.152 10 0 CEAERO CCNC(=O)CSc1cccc(C[NH2+]CC)c1 ZINC000090871292 180050043 /nfs/dbraw/zinc/05/00/43/180050043.db2.gz YGJKZMFCEODCJU-UHFFFAOYSA-N 1 0 252.383 2.024 10 0 CEAERO c1cn(CCCC[NH2+]C[C@H]2Cc3ccccc3O2)cn1 ZINC000090874500 180050103 /nfs/dbraw/zinc/05/01/03/180050103.db2.gz NIMWDUSFYQKLSB-OAHLLOKOSA-N 1 0 271.364 2.257 10 0 CEAERO CC[NH2+]Cc1cccc(SC[C@H](O)COCC)c1 ZINC000090871294 180050119 /nfs/dbraw/zinc/05/01/19/180050119.db2.gz VTEKNCJNOGFLLI-CYBMUJFWSA-N 1 0 269.410 2.286 10 0 CEAERO C[NH2+]CCc1c(C)nn(C[C@@H]2Cc3ccccc3O2)c1C ZINC000090877736 180051663 /nfs/dbraw/zinc/05/16/63/180051663.db2.gz KYZIFTBUFQPEDY-HNNXBMFYSA-N 1 0 285.391 2.266 10 0 CEAERO C[NH2+]CCc1c(C)nn(C[C@H]2Cc3ccccc3O2)c1C ZINC000090877737 180052357 /nfs/dbraw/zinc/05/23/57/180052357.db2.gz KYZIFTBUFQPEDY-OAHLLOKOSA-N 1 0 285.391 2.266 10 0 CEAERO C[C@H](Cn1cccn1)[NH2+]C[C@H]1Cc2cc(F)ccc2O1 ZINC000090892340 180054020 /nfs/dbraw/zinc/05/40/20/180054020.db2.gz QJTTYBSAXFRLHM-BXUZGUMPSA-N 1 0 275.327 2.004 10 0 CEAERO OC[C@@H]([NH2+]C[C@H]1Cc2cc(F)ccc2O1)c1ccccc1 ZINC000090892761 180054680 /nfs/dbraw/zinc/05/46/80/180054680.db2.gz JMAMEOCRSIRQRV-HZPDHXFCSA-N 1 0 287.334 2.452 10 0 CEAERO COC[C@@H]([NH2+]C[C@H]1Cc2cc(F)ccc2O1)C(C)C ZINC000090892965 180054729 /nfs/dbraw/zinc/05/47/29/180054729.db2.gz PGICMBNUTNCQKU-ZIAGYGMSSA-N 1 0 267.344 2.390 10 0 CEAERO C[C@H](C[NH3+])CSC[C@H]1Cc2cc(F)ccc2O1 ZINC000090893456 180055081 /nfs/dbraw/zinc/05/50/81/180055081.db2.gz YQUWOZBWGKDWKA-BXKDBHETSA-N 1 0 255.358 2.457 10 0 CEAERO Cc1nn(C[C@@H]2Cc3cc(F)ccc3O2)c(C)c1C[NH3+] ZINC000090894369 180056373 /nfs/dbraw/zinc/05/63/73/180056373.db2.gz BZLQDVSQHGSGGA-ZDUSSCGKSA-N 1 0 275.327 2.101 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](C2CC2)CN1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090896181 180056758 /nfs/dbraw/zinc/05/67/58/180056758.db2.gz KDOWREJNXKSHPE-XFBWCDHKSA-N 1 0 290.382 2.202 10 0 CEAERO CC[NH2+]C1CCN(C[C@@H]2Cc3cc(C)ccc3O2)CC1 ZINC000090896656 180056785 /nfs/dbraw/zinc/05/67/85/180056785.db2.gz WFACGLGCZRYREB-INIZCTEOSA-N 1 0 274.408 2.372 10 0 CEAERO CC(C)[C@H]1CN(C[C@@H]2Cc3cc(F)ccc3O2)CCC[NH2+]1 ZINC000090896184 180056947 /nfs/dbraw/zinc/05/69/47/180056947.db2.gz WOIBLWSLFQQQTO-JKSUJKDBSA-N 1 0 292.398 2.449 10 0 CEAERO CC[C@@H](C)NC(=O)CC[NH2+]C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090897484 180057095 /nfs/dbraw/zinc/05/70/95/180057095.db2.gz LZFAVOFCIUGSPO-HIFRSBDPSA-N 1 0 290.407 2.193 10 0 CEAERO Cc1cc(C[NH2+]C[C@@H]2Cc3cc(C)ccc3O2)no1 ZINC000090897813 180057314 /nfs/dbraw/zinc/05/73/14/180057314.db2.gz BKYRAFHIXBTJBZ-AWEZNQCLSA-N 1 0 258.321 2.385 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[N@H+](C)CC1CC(O)C1)O2 ZINC000090901055 180058688 /nfs/dbraw/zinc/05/86/88/180058688.db2.gz MKJZGEBQPDVTDW-PESDSKBTSA-N 1 0 261.365 2.001 10 0 CEAERO Cc1nn(C[C@@H]2Cc3cc(C)ccc3O2)c(C)c1CC[NH3+] ZINC000090901592 180058926 /nfs/dbraw/zinc/05/89/26/180058926.db2.gz GYWCHRVKMKFJLA-HNNXBMFYSA-N 1 0 285.391 2.313 10 0 CEAERO CN(CC[NH2+]C[C@@H]1Cc2cc(Cl)ccc2O1)C1CC1 ZINC000090904699 180059825 /nfs/dbraw/zinc/05/98/25/180059825.db2.gz MCLPCSMZPVWLQI-AWEZNQCLSA-N 1 0 280.799 2.327 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[C@@]1(C[NH3+])CCC[C@@H]1O)O2 ZINC000090902707 180060272 /nfs/dbraw/zinc/06/02/72/180060272.db2.gz XPRIPFAEFSRCQF-VNQPRFMTSA-N 1 0 261.365 2.179 10 0 CEAERO [NH3+][C@@H](CN1C[C@H]2CC[C@@H](C1)O2)C12CC3CC(CC(C3)C1)C2 ZINC000090906039 180060719 /nfs/dbraw/zinc/06/07/19/180060719.db2.gz SSDWHWJVWMUECF-ORPLCTLGSA-N 1 0 290.451 2.393 10 0 CEAERO CC[NH2+][C@H](CN1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000090906140 180060799 /nfs/dbraw/zinc/06/07/99/180060799.db2.gz YFDJTGUMCGQUNH-OWCLPIDISA-N 1 0 260.381 2.200 10 0 CEAERO CC(C)Oc1ccc([C@H]([NH3+])CN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090906041 180060945 /nfs/dbraw/zinc/06/09/45/180060945.db2.gz HOCCLIQJRUSRFL-IXDOHACOSA-N 1 0 290.407 2.337 10 0 CEAERO CCO[C@@H]1CCCN(Cc2csc([C@@H](C)[NH3+])n2)C1 ZINC000090958297 180074510 /nfs/dbraw/zinc/07/45/10/180074510.db2.gz NBPRYEUUUSDPQU-ZYHUDNBSSA-N 1 0 269.414 2.164 10 0 CEAERO C[C@@H]([NH3+])c1nc(CN(C)Cc2cscn2)cs1 ZINC000090958384 180074908 /nfs/dbraw/zinc/07/49/08/180074908.db2.gz DLEIMWZUIDCPJU-MRVPVSSYSA-N 1 0 268.411 2.251 10 0 CEAERO C[C@H]([NH3+])c1nc(CN(C)Cc2cscn2)cs1 ZINC000090958383 180075174 /nfs/dbraw/zinc/07/51/74/180075174.db2.gz DLEIMWZUIDCPJU-QMMMGPOBSA-N 1 0 268.411 2.251 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000090959278 180075283 /nfs/dbraw/zinc/07/52/83/180075283.db2.gz ZMLVYAPPQMXYFR-JOYOIKCWSA-N 1 0 268.382 2.364 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000090959276 180075354 /nfs/dbraw/zinc/07/53/54/180075354.db2.gz ZMLVYAPPQMXYFR-CABZTGNLSA-N 1 0 268.382 2.364 10 0 CEAERO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1NC(C)=O ZINC000090962520 180076927 /nfs/dbraw/zinc/07/69/27/180076927.db2.gz KOMPPPUQJDVTDZ-LSDHHAIUSA-N 1 0 262.353 2.302 10 0 CEAERO CC(C)[NH2+]Cc1ncnn1C[C@H]1Cc2ccccc21 ZINC000090981605 180078817 /nfs/dbraw/zinc/07/88/17/180078817.db2.gz WMKAEKGDPSWIOG-CYBMUJFWSA-N 1 0 256.353 2.116 10 0 CEAERO Cn1c2ccc([C@@H]([NH3+])[C@@H]3Cc4ccccc43)cc2oc1=O ZINC000090984275 180080299 /nfs/dbraw/zinc/08/02/99/180080299.db2.gz NODCCMGQIFGAEX-CZUORRHYSA-N 1 0 280.327 2.471 10 0 CEAERO C[C@@H]1CCC[C@@](C[NH3+])(NC(=O)[C@@H]2Cc3ccccc32)C1 ZINC000090987194 180080916 /nfs/dbraw/zinc/08/09/16/180080916.db2.gz VKECEZJXEOLZJU-SRCQZFHVSA-N 1 0 272.392 2.350 10 0 CEAERO C[NH2+]Cc1cccn1CC(=O)NC1CCCCCC1 ZINC000090995705 180082621 /nfs/dbraw/zinc/08/26/21/180082621.db2.gz APGGFRUPSSJMJM-UHFFFAOYSA-N 1 0 263.385 2.047 10 0 CEAERO CC(C)N(C)C(=O)Cn1cccc1C[NH2+]C(C)(C)C ZINC000091001690 180083186 /nfs/dbraw/zinc/08/31/86/180083186.db2.gz XGPQSOCUEUTNJF-UHFFFAOYSA-N 1 0 265.401 2.243 10 0 CEAERO COC(=O)CCCn1ccc(C[NH2+]C(C)(C)C)c1 ZINC000091004196 180083795 /nfs/dbraw/zinc/08/37/95/180083795.db2.gz WZXFJVPKQXIKMR-UHFFFAOYSA-N 1 0 252.358 2.329 10 0 CEAERO CC(C)c1noc(Cn2ccc(C[NH2+]C3CC3)c2)n1 ZINC000091003839 180083975 /nfs/dbraw/zinc/08/39/75/180083975.db2.gz UWSMSZVSZFISRW-UHFFFAOYSA-N 1 0 260.341 2.295 10 0 CEAERO Cc1ccc2c(c1)C[C@H](Cn1cccc1CC[NH3+])O2 ZINC000091004938 180084104 /nfs/dbraw/zinc/08/41/04/180084104.db2.gz NBWZNLMKEJAMPL-OAHLLOKOSA-N 1 0 256.349 2.301 10 0 CEAERO CC(C)C[NH2+]Cc1nccn1Cc1ncc(Cl)n1C ZINC000091002793 180084110 /nfs/dbraw/zinc/08/41/10/180084110.db2.gz XNYGUVQKJQRUHY-UHFFFAOYSA-N 1 0 281.791 2.064 10 0 CEAERO CCn1ccc(C[NH2+]C[C@H](CC(C)C)N2CCOCC2)c1 ZINC000091009831 180086443 /nfs/dbraw/zinc/08/64/43/180086443.db2.gz VCNVVDFPWVIVNF-KRWDZBQOSA-N 1 0 293.455 2.345 10 0 CEAERO OCc1cn(CC[NH+]2CCCCC2)c2ncccc12 ZINC000091017949 180087036 /nfs/dbraw/zinc/08/70/36/180087036.db2.gz LWYMDFPKLKOMAH-UHFFFAOYSA-N 1 0 259.353 2.015 10 0 CEAERO Cc1nnc(Cn2cc(C[NH2+]C(C)C)c3cccnc32)o1 ZINC000091020739 180088253 /nfs/dbraw/zinc/08/82/53/180088253.db2.gz KQEWYJROEUZPLL-UHFFFAOYSA-N 1 0 285.351 2.274 10 0 CEAERO [NH3+]CCc1nc(-c2nc(-c3cccs3)no2)cs1 ZINC000090938520 180067843 /nfs/dbraw/zinc/06/78/43/180067843.db2.gz NGYDZYDEWMDYRK-UHFFFAOYSA-N 1 0 278.362 2.423 10 0 CEAERO [NH3+]CCc1nc(-c2nc(Cc3cccs3)no2)cs1 ZINC000090938926 180068384 /nfs/dbraw/zinc/06/83/84/180068384.db2.gz NVNIKVJBHSNJGJ-UHFFFAOYSA-N 1 0 292.389 2.347 10 0 CEAERO [NH3+]CCc1nc(C(=O)Nc2ccccc2F)cs1 ZINC000090945933 180069501 /nfs/dbraw/zinc/06/95/01/180069501.db2.gz AFJOPPLTBNPDDV-UHFFFAOYSA-N 1 0 265.313 2.036 10 0 CEAERO C[C@@H](OC(=O)C[C@@H]1CSCC[NH2+]1)c1ccccc1 ZINC000091129959 180101100 /nfs/dbraw/zinc/10/11/00/180101100.db2.gz SRPBTGARHVJFKT-DGCLKSJQSA-N 1 0 265.378 2.386 10 0 CEAERO Cc1nc(C)c([C@H](C)NC(=O)C[C@@H]2CSCC[NH2+]2)s1 ZINC000091137825 180105640 /nfs/dbraw/zinc/10/56/40/180105640.db2.gz JHUBHAPYEJKZMT-GXSJLCMTSA-N 1 0 299.465 2.032 10 0 CEAERO CCn1cc2c(n1)[C@H](CC[NH3+])CN(C(=O)OC(C)(C)C)C2 ZINC000091303221 180129601 /nfs/dbraw/zinc/12/96/01/180129601.db2.gz WRKITDUXLGCOGN-LLVKDONJSA-N 1 0 294.399 2.086 10 0 CEAERO CCCNC(=O)C[C@@H](C[NH3+])N(C)[C@@H](C)c1ccccc1F ZINC000091317530 180133658 /nfs/dbraw/zinc/13/36/58/180133658.db2.gz VNGRXSCHRIPUNW-STQMWFEESA-N 1 0 295.402 2.062 10 0 CEAERO Cc1ccccc1CN(C)[C@H](C[NH3+])CC(=O)NC(C)(C)C ZINC000091321105 180134560 /nfs/dbraw/zinc/13/45/60/180134560.db2.gz MHGYTMFDBOOPFW-HNNXBMFYSA-N 1 0 291.439 2.059 10 0 CEAERO CCN(CC)C(=O)C[C@H](CN)[N@@H+]1CCCC(C)(C)CC1 ZINC000091322986 180134836 /nfs/dbraw/zinc/13/48/36/180134836.db2.gz VIHISNFVHRFSLZ-CQSZACIVSA-N 1 0 283.460 2.084 10 0 CEAERO Cc1ncc(C[C@@](C[NH3+])(c2ccccc2)[C@@H](C)O)s1 ZINC000091327584 180135625 /nfs/dbraw/zinc/13/56/25/180135625.db2.gz JUVHZCDFXDYGJN-ABAIWWIYSA-N 1 0 276.405 2.272 10 0 CEAERO Cc1ccc2n1CCN(C(=O)[C@@H]1CCCC[C@@H]1C[NH3+])[C@@H]2C ZINC000091332988 180136484 /nfs/dbraw/zinc/13/64/84/180136484.db2.gz HGISLAHSYQRADZ-RBSFLKMASA-N 1 0 289.423 2.465 10 0 CEAERO CCC[C@H](COC)NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091361522 180141766 /nfs/dbraw/zinc/14/17/66/180141766.db2.gz VZXOHOGSBMRPPG-XGUBFFRZSA-N 1 0 282.428 2.229 10 0 CEAERO [NH3+]C[C@H](c1cncn1C1CC1)N1CCc2ccccc21 ZINC000091276174 180118531 /nfs/dbraw/zinc/11/85/31/180118531.db2.gz JLQNRJWWHGYVGR-OAHLLOKOSA-N 1 0 268.364 2.281 10 0 CEAERO CCCN1CCCC[C@H]([NH3+])[C@@H]1c1cncn1C1CC1 ZINC000091275671 180118664 /nfs/dbraw/zinc/11/86/64/180118664.db2.gz OZTOPQXYYVKBPR-DZGCQCFKSA-N 1 0 262.401 2.482 10 0 CEAERO [NH3+]C[C@H](c1cncn1C1CC1)N(Cc1ccco1)C1CC1 ZINC000091276442 180119731 /nfs/dbraw/zinc/11/97/31/180119731.db2.gz HJAZKLHRTLXRIP-OAHLLOKOSA-N 1 0 286.379 2.475 10 0 CEAERO CCOC(=O)C[C@@H](c1cncn1C1CC1)[NH+]1CCCC1 ZINC000091277770 180120143 /nfs/dbraw/zinc/12/01/43/180120143.db2.gz SYCXJELKIWXDMP-ZDUSSCGKSA-N 1 0 277.368 2.308 10 0 CEAERO FC(F)(F)C1CCN(CC[C@@H]2CSCC[NH2+]2)CC1 ZINC000091292368 180123384 /nfs/dbraw/zinc/12/33/84/180123384.db2.gz BEEXVFOYYPIEMF-LLVKDONJSA-N 1 0 282.375 2.356 10 0 CEAERO CCCn1c(C[C@H]2C[NH2+]CCO2)nc2c1cccc2F ZINC000091293288 180123996 /nfs/dbraw/zinc/12/39/96/180123996.db2.gz RZHSJOWNEROFOV-NSHDSACASA-N 1 0 277.343 2.116 10 0 CEAERO O=C(C[C@H]1C[NH2+]CCO1)Nc1ccc2sccc2c1 ZINC000091299897 180126718 /nfs/dbraw/zinc/12/67/18/180126718.db2.gz LPXIPSCWCAKZGA-LBPRGKRZSA-N 1 0 276.361 2.218 10 0 CEAERO C[C@H]([NH2+]C1CC(O)C1)c1ccc(-n2ccnc2)cc1 ZINC000091428740 180152798 /nfs/dbraw/zinc/15/27/98/180152798.db2.gz VZJDOMNVDLYLFX-ZOODHJKOSA-N 1 0 257.337 2.046 10 0 CEAERO CC[NH2+]Cc1cncc(Oc2c(OC)cccc2OC)n1 ZINC000091434146 180154156 /nfs/dbraw/zinc/15/41/56/180154156.db2.gz QQRUJFYVWSRLCB-UHFFFAOYSA-N 1 0 289.335 2.396 10 0 CEAERO [NH3+]CC1CC(OCC(=O)Nc2ccccc2Cl)C1 ZINC000091451431 180159267 /nfs/dbraw/zinc/15/92/67/180159267.db2.gz SVCUFJCTEUBZOU-UHFFFAOYSA-N 1 0 268.744 2.032 10 0 CEAERO CCCN(C(=O)c1ccncc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000091456973 180160172 /nfs/dbraw/zinc/16/01/72/180160172.db2.gz OFCFIJMVQSQVBM-LLVKDONJSA-N 1 0 281.787 2.339 10 0 CEAERO CN(CC1CC(O)C1)c1cccc(Cl)c1C[NH3+] ZINC000091459652 180160901 /nfs/dbraw/zinc/16/09/01/180160901.db2.gz WWURPZMHMDCAFS-UHFFFAOYSA-N 1 0 254.761 2.006 10 0 CEAERO CN(CC1CC(O)C1)c1ccc(Cl)cc1C[NH3+] ZINC000091460285 180161450 /nfs/dbraw/zinc/16/14/50/180161450.db2.gz SQPKFSZMECSLGB-UHFFFAOYSA-N 1 0 254.761 2.006 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccc(F)cc1)N(C)CC1CC(O)C1 ZINC000091461679 180161852 /nfs/dbraw/zinc/16/18/52/180161852.db2.gz XGMNXUDPUHVHGG-SPNRQUNLSA-N 1 0 280.387 2.307 10 0 CEAERO CC(C)C[NH2+]C[C@@H](O)Cc1ccc2ccccc2n1 ZINC000091466639 180164374 /nfs/dbraw/zinc/16/43/74/180164374.db2.gz ZDHKINKHRNZURE-HNNXBMFYSA-N 1 0 258.365 2.384 10 0 CEAERO CC[C@@H](C)n1ccc(C[C@@H](O)C[NH2+]C(C)(C)C)n1 ZINC000091469818 180164782 /nfs/dbraw/zinc/16/47/82/180164782.db2.gz LGXBKAOFZQUCOL-DGCLKSJQSA-N 1 0 253.390 2.146 10 0 CEAERO Cc1cc([C@H](C[NH3+])N2CCOCC2)ccc1Br ZINC000091470359 180164872 /nfs/dbraw/zinc/16/48/72/180164872.db2.gz UNKKXULTLAUDGJ-ZDUSSCGKSA-N 1 0 299.212 2.090 10 0 CEAERO O[C@H](C[NH2+]C1CC1)Cc1ccc(OC(F)(F)F)cc1 ZINC000091469472 180164895 /nfs/dbraw/zinc/16/48/95/180164895.db2.gz UZSSBYQSFQCROS-NSHDSACASA-N 1 0 275.270 2.241 10 0 CEAERO C[NH2+]CC1CC(OCc2nn(C)c3ccccc23)C1 ZINC000091473466 180165448 /nfs/dbraw/zinc/16/54/48/180165448.db2.gz KOZVPGADJUPCNU-UHFFFAOYSA-N 1 0 259.353 2.088 10 0 CEAERO C[NH2+]CC1CC(OCCc2ccc3c(c2)CCO3)C1 ZINC000091473128 180165658 /nfs/dbraw/zinc/16/56/58/180165658.db2.gz CYJIAWYTWMWOCG-UHFFFAOYSA-N 1 0 261.365 2.179 10 0 CEAERO Cc1ccc(CC(=O)N(C)CC2CC([NH3+])C2)cc1C ZINC000091477092 180166262 /nfs/dbraw/zinc/16/62/62/180166262.db2.gz KQELVVFMICEZPH-UHFFFAOYSA-N 1 0 260.381 2.042 10 0 CEAERO C[N@H+](CCC(=O)Nc1cccc(Cl)c1)CC1CC(O)C1 ZINC000091490256 180170130 /nfs/dbraw/zinc/17/01/30/180170130.db2.gz LKUNMHDLWUFOHR-UHFFFAOYSA-N 1 0 296.798 2.371 10 0 CEAERO CC1(C)C(C(=O)N2C[C@H]3C[NH2+]C[C@@H]3C2(C)C)C1(C)C ZINC000091492850 180170912 /nfs/dbraw/zinc/17/09/12/180170912.db2.gz WUCDKEBOUHDKSY-MNOVXSKESA-N 1 0 264.413 2.125 10 0 CEAERO CCOc1ccc(OCC[N@H+](C)CC2CC(O)C2)cc1 ZINC000091498949 180173798 /nfs/dbraw/zinc/17/37/98/180173798.db2.gz DICSHOOWKUBCJD-UHFFFAOYSA-N 1 0 279.380 2.167 10 0 CEAERO CCC[NH2+][C@@H]([C@H](C)c1ccccn1)C(C)(C)S(C)(=O)=O ZINC000091383452 180144056 /nfs/dbraw/zinc/14/40/56/180144056.db2.gz NIPQURVMXNWOKW-OCCSQVGLSA-N 1 0 298.452 2.377 10 0 CEAERO CCC[NH2+][C@H](C)C(C)(C)CN1C[C@H]2CC[C@@H](C1)O2 ZINC000091405590 180147721 /nfs/dbraw/zinc/14/77/21/180147721.db2.gz XQTQXGWKLMZOMW-MCIONIFRSA-N 1 0 254.418 2.264 10 0 CEAERO O=C(C1C[NH2+]C1)N(Cc1c(F)cccc1Cl)C1CC1 ZINC000091408581 180148201 /nfs/dbraw/zinc/14/82/01/180148201.db2.gz FKBJLNBTTMLEAQ-UHFFFAOYSA-N 1 0 282.746 2.190 10 0 CEAERO CN(c1cncc(C[NH2+]C(C)(C)C)n1)[C@H]1CCSC1 ZINC000091419193 180150598 /nfs/dbraw/zinc/15/05/98/180150598.db2.gz JEWFJLJWXAXWBY-LBPRGKRZSA-N 1 0 280.441 2.306 10 0 CEAERO CC[NH2+]Cc1cncc(N(C)[C@H](C)C(C)(C)C)n1 ZINC000091419830 180150838 /nfs/dbraw/zinc/15/08/38/180150838.db2.gz FCYIWQGKWBOOHB-LLVKDONJSA-N 1 0 250.390 2.457 10 0 CEAERO C[C@H]1CCCCCN1c1cncc(C[NH2+]C2CC2)n1 ZINC000091421903 180151259 /nfs/dbraw/zinc/15/12/59/180151259.db2.gz UAQWEQBKHJDFAY-LBPRGKRZSA-N 1 0 260.385 2.498 10 0 CEAERO C[NH2+][C@H](Cc1ccnc(N)c1)C(C)(C)N1CCCCC1 ZINC000091564727 180193401 /nfs/dbraw/zinc/19/34/01/180193401.db2.gz ANHPQKPJYVOXFK-CQSZACIVSA-N 1 0 276.428 2.059 10 0 CEAERO CCn1nccc1[C@H]([NH2+]C)C(C)(C)N1CCCCC1 ZINC000091564725 180193676 /nfs/dbraw/zinc/19/36/76/180193676.db2.gz NJXOMAHMRPXTRR-AWEZNQCLSA-N 1 0 264.417 2.428 10 0 CEAERO CC[NH2+][C@H](Cc1cccnc1N)C(C)(C)N1CCCCC1 ZINC000091565125 180193748 /nfs/dbraw/zinc/19/37/48/180193748.db2.gz GRNFWBNAIVXHOY-OAHLLOKOSA-N 1 0 290.455 2.449 10 0 CEAERO CCN1C(=O)C[C@@H]([NH2+][C@@H](C)c2cc(C)sc2C)C1=O ZINC000105076660 186041377 /nfs/dbraw/zinc/04/13/77/186041377.db2.gz OVMGPGFVXWIRAV-JOYOIKCWSA-N 1 0 280.393 2.163 10 0 CEAERO CC(C)([C@H]([NH3+])c1c(F)cccc1F)N1CCOCC1 ZINC000091566197 180193923 /nfs/dbraw/zinc/19/39/23/180193923.db2.gz GQOXOFRUMROLDH-CYBMUJFWSA-N 1 0 270.323 2.075 10 0 CEAERO C[NH2+][C@H](C1CCCCC1)C(C)(C)N1CCOCC1 ZINC000091566578 180193944 /nfs/dbraw/zinc/19/39/44/180193944.db2.gz HKCTUQCHWFEKAL-CQSZACIVSA-N 1 0 254.418 2.266 10 0 CEAERO C[NH2+][C@H](Cc1cccc(C)c1)C(C)(C)N1CCOCC1 ZINC000091566599 180193947 /nfs/dbraw/zinc/19/39/47/180193947.db2.gz QSHRIGSNCADHHS-MRXNPFEDSA-N 1 0 276.424 2.236 10 0 CEAERO CC(C)([C@H]([NH3+])c1ccc(F)cc1F)N1CCOCC1 ZINC000091566084 180193969 /nfs/dbraw/zinc/19/39/69/180193969.db2.gz ADTNMMDONYPANF-CYBMUJFWSA-N 1 0 270.323 2.075 10 0 CEAERO COc1ccc(CC[C@H]([NH3+])C(C)(C)N2CCOCC2)cc1 ZINC000091566105 180193975 /nfs/dbraw/zinc/19/39/75/180193975.db2.gz CKVDICRYSFRRDW-INIZCTEOSA-N 1 0 292.423 2.066 10 0 CEAERO C[NH2+][C@@H](c1ccc(OC)cc1)C(C)(C)N1CCOCC1 ZINC000091566428 180194003 /nfs/dbraw/zinc/19/40/03/180194003.db2.gz VGMIDQRISKSRGG-HNNXBMFYSA-N 1 0 278.396 2.067 10 0 CEAERO C[NH2+][C@@H](Cc1ccccc1F)C(C)(C)N1CCOCC1 ZINC000091566426 180194008 /nfs/dbraw/zinc/19/40/08/180194008.db2.gz GCJYRZGZGIGPJZ-HNNXBMFYSA-N 1 0 280.387 2.067 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)NCC2CC[NH+](C)CC2)o1 ZINC000105087044 186041523 /nfs/dbraw/zinc/04/15/23/186041523.db2.gz BQTMNNPDYPUHDP-GFCCVEGCSA-N 1 0 279.384 2.290 10 0 CEAERO CN[C@@H](c1cnn(C)c1)C(C)(C)[NH+]1CCCCCC1 ZINC000091568261 180194542 /nfs/dbraw/zinc/19/45/42/180194542.db2.gz WRJDEUYJHQPSFI-AWEZNQCLSA-N 1 0 264.417 2.335 10 0 CEAERO Cn1ccnc1[C@@H](O)C(C)(C)[NH+]1CCCCCC1 ZINC000091567692 180195008 /nfs/dbraw/zinc/19/50/08/180195008.db2.gz PQSLHDUSPHKVQD-GFCCVEGCSA-N 1 0 251.374 2.108 10 0 CEAERO CC[NH2+][C@H](c1c(C)ccnc1N)[C@](C)(CC)N(C)C ZINC000091571092 180195583 /nfs/dbraw/zinc/19/55/83/180195583.db2.gz INWUPTOFEOWHRN-HIFRSBDPSA-N 1 0 264.417 2.353 10 0 CEAERO CC[C@@](C)([C@H](O)c1cc(Cl)cnc1N)[NH+](C)C ZINC000091569124 180195831 /nfs/dbraw/zinc/19/58/31/180195831.db2.gz XWXSWJRSPBOZMS-PWSUYJOCSA-N 1 0 257.765 2.081 10 0 CEAERO CC[NH2+][C@@H](Cc1cnn(CC)c1)[C@](C)(CC)N(C)C ZINC000091571194 180195859 /nfs/dbraw/zinc/19/58/59/180195859.db2.gz CICUMPHFJDBARQ-GJZGRUSLSA-N 1 0 266.433 2.154 10 0 CEAERO CCC[NH2+][C@H](c1cnccc1N)[C@@](C)(CC)N(C)C ZINC000091571889 180196492 /nfs/dbraw/zinc/19/64/92/180196492.db2.gz MDIDLHZZBFNSCS-HUUCEWRRSA-N 1 0 264.417 2.435 10 0 CEAERO CC[C@@H](C)N1C(=O)C[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C1=O ZINC000105088456 186042201 /nfs/dbraw/zinc/04/22/01/186042201.db2.gz KVKYQMQGVWFYTG-SUNKGSAMSA-N 1 0 292.354 2.402 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@H](NC)c1cnccc1N ZINC000091599377 180202067 /nfs/dbraw/zinc/20/20/67/180202067.db2.gz MPVIFXRUOOVBCO-HUUCEWRRSA-N 1 0 264.417 2.435 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@H](NC)c1cnccn1 ZINC000091599172 180202206 /nfs/dbraw/zinc/20/22/06/180202206.db2.gz ISSCSNQPDVWGKT-KGLIPLIRSA-N 1 0 250.390 2.248 10 0 CEAERO CC[C@](C)([C@H](O)c1c(C)ccnc1N)[NH+]1CCCC1 ZINC000091602528 180203399 /nfs/dbraw/zinc/20/33/99/180203399.db2.gz OEMNMMPXWVSTMG-UKRRQHHQSA-N 1 0 263.385 2.270 10 0 CEAERO CCn1ccnc1[C@@H](N)[C@@](C)(CC)[NH+]1CCCC1 ZINC000091605577 180204406 /nfs/dbraw/zinc/20/44/06/180204406.db2.gz PMIFCTIWKNGWRY-TZMCWYRMSA-N 1 0 250.390 2.167 10 0 CEAERO CC[C@@](C)([C@@H](NC)c1cc(C)cnc1N)[NH+]1CCCC1 ZINC000091606175 180204585 /nfs/dbraw/zinc/20/45/85/180204585.db2.gz INOUANOGDVAXSK-HOCLYGCPSA-N 1 0 276.428 2.497 10 0 CEAERO CCn1cc(C[C@H](N)[C@](C)(CC)[NH+]2CCCCC2)cn1 ZINC000091609123 180205215 /nfs/dbraw/zinc/20/52/15/180205215.db2.gz KIRREZNGRQULLP-HOTGVXAUSA-N 1 0 278.444 2.427 10 0 CEAERO CC[C@@](C)([C@@H](NC)c1ccnn1C)[NH+]1CCCCC1 ZINC000091609867 180205668 /nfs/dbraw/zinc/20/56/68/180205668.db2.gz GAYIBFIVBWQTLI-GJZGRUSLSA-N 1 0 264.417 2.335 10 0 CEAERO CC[C@@](C)([C@@H](O)c1cnn(C)c1)[NH+]1CCCCC1 ZINC000091608775 180205853 /nfs/dbraw/zinc/20/58/53/180205853.db2.gz CYONVEGRFVPVOI-KBPBESRZSA-N 1 0 251.374 2.108 10 0 CEAERO CC[C@](C)([C@@H]([NH3+])Cc1cc(F)ccc1F)N1CCOCC1 ZINC000091611916 180206359 /nfs/dbraw/zinc/20/63/59/180206359.db2.gz OJRORCNOYJXFGD-JKSUJKDBSA-N 1 0 298.377 2.336 10 0 CEAERO CC[C@](C)([C@H](Cc1ccc(F)cc1)[NH2+]C)N1CCOCC1 ZINC000091612588 180207333 /nfs/dbraw/zinc/20/73/33/180207333.db2.gz XOSOURDMBKRWHO-DLBZAZTESA-N 1 0 294.414 2.457 10 0 CEAERO CC[NH2+][C@H](c1ccnn1CC)[C@@](C)(CC)N1CCOCC1 ZINC000091612786 180207450 /nfs/dbraw/zinc/20/74/50/180207450.db2.gz SJEDEGIJKMAENT-HZPDHXFCSA-N 1 0 294.443 2.055 10 0 CEAERO CC[NH+](CC)C(CC)(CC)[C@H](O)Cc1ccnc(N)c1 ZINC000091615539 180207980 /nfs/dbraw/zinc/20/79/80/180207980.db2.gz FNEZTAMUGVKSHA-CQSZACIVSA-N 1 0 279.428 2.468 10 0 CEAERO CC[NH+](CC)C(CC)(CC)C(=O)CCCS(C)(=O)=O ZINC000091615298 180207985 /nfs/dbraw/zinc/20/79/85/180207985.db2.gz IFNZVOJPGJTLBI-UHFFFAOYSA-N 1 0 291.457 2.281 10 0 CEAERO Cc1nc(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])ccc1Br ZINC000091507020 180175927 /nfs/dbraw/zinc/17/59/27/180175927.db2.gz URFAKEDHLZVJRT-SCZZXKLOSA-N 1 0 298.184 2.218 10 0 CEAERO CCCn1nccc1[C@](C)(O)CC[NH2+]C(C)(C)C ZINC000091522642 180178009 /nfs/dbraw/zinc/17/80/09/180178009.db2.gz PBXMAVDYLFINQX-CQSZACIVSA-N 1 0 253.390 2.279 10 0 CEAERO CC(C)(C)[NH2+]CC[C@](C)(O)c1ccc2c(c1)OCCO2 ZINC000091520600 180178102 /nfs/dbraw/zinc/17/81/02/180178102.db2.gz MBLBXMPAMUKUIJ-INIZCTEOSA-N 1 0 279.380 2.444 10 0 CEAERO COCC[NH2+]CC[C@](C)(O)Cc1cc(C)cc(C)c1 ZINC000091521057 180178461 /nfs/dbraw/zinc/17/84/61/180178461.db2.gz GCSNPTGNMUJYJQ-INIZCTEOSA-N 1 0 265.397 2.223 10 0 CEAERO CC(C)(C)c1ccc(C(=O)NCC2CC([NH3+])C2)cc1 ZINC000091525228 180179118 /nfs/dbraw/zinc/17/91/18/180179118.db2.gz DKNHOMAWORCOFM-UHFFFAOYSA-N 1 0 260.381 2.451 10 0 CEAERO C[NH+](C)C(C)(C)[C@H](N)Cc1ccn(C2CCCC2)n1 ZINC000091528393 180179378 /nfs/dbraw/zinc/17/93/78/180179378.db2.gz VNUYOADXKLSMHH-CQSZACIVSA-N 1 0 264.417 2.208 10 0 CEAERO CC[N@H+](CC(=O)N[C@H](C)CCC(C)C)CC(C)(C)O ZINC000091527939 180179473 /nfs/dbraw/zinc/17/94/73/180179473.db2.gz JFYJJJOMZHOKCK-CYBMUJFWSA-N 1 0 272.433 2.020 10 0 CEAERO Cc1cc(F)cc(N2CC[C@H]([NH2+]C(C)C)C2=O)c1 ZINC000091527225 180179633 /nfs/dbraw/zinc/17/96/33/180179633.db2.gz KVQYIHPNPZEEFF-ZDUSSCGKSA-N 1 0 250.317 2.237 10 0 CEAERO CC[NH2+][C@H](Cc1cccnc1N)C(C)(C)N(CC)CC ZINC000091531443 180180792 /nfs/dbraw/zinc/18/07/92/180180792.db2.gz IGFHQLMIKIMYIB-CQSZACIVSA-N 1 0 278.444 2.305 10 0 CEAERO CCCn1nccc1[C@@H](N)C(C)(C)[NH+]1CCCC1 ZINC000091533825 180181568 /nfs/dbraw/zinc/18/15/68/180181568.db2.gz ZGMYXAOZJJRIEI-CYBMUJFWSA-N 1 0 250.390 2.167 10 0 CEAERO CCCn1ccnc1[C@H](NC)C(C)(C)[NH+]1CCCC1 ZINC000091534855 180182408 /nfs/dbraw/zinc/18/24/08/180182408.db2.gz SCWLTBXBXHUJHT-ZDUSSCGKSA-N 1 0 264.417 2.428 10 0 CEAERO [NH3+][C@H]1CC[C@H](C(=O)N(Cc2ccc(F)cc2)C2CC2)C1 ZINC000091541264 180183765 /nfs/dbraw/zinc/18/37/65/180183765.db2.gz DDIBETGVIXRSIM-JSGCOSHPSA-N 1 0 276.355 2.444 10 0 CEAERO CC(C)CCC[C@@H](C)[NH2+][C@H]1CC(=O)N(C(C)C)C1=O ZINC000105028388 186038177 /nfs/dbraw/zinc/03/81/77/186038177.db2.gz LQJDHMNQYHWVQO-OLZOCXBDSA-N 1 0 268.401 2.327 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](C(=O)Nc2cccc(OC(F)F)c2)C1 ZINC000091545366 180186541 /nfs/dbraw/zinc/18/65/41/180186541.db2.gz XYCKVWWVEHJEIO-RKDXNWHRSA-N 1 0 270.279 2.354 10 0 CEAERO [NH3+][C@H]1CC[C@H](C(=O)N(Cc2ccco2)CC(F)(F)F)C1 ZINC000091546299 180187172 /nfs/dbraw/zinc/18/71/72/180187172.db2.gz KSNCEBJHWMGFCJ-UWVGGRQHSA-N 1 0 290.285 2.298 10 0 CEAERO CC(C)C(=O)Nc1cccc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC000091548101 180187392 /nfs/dbraw/zinc/18/73/92/180187392.db2.gz JBHGTCZVPXRECI-NWDGAFQWSA-N 1 0 289.379 2.347 10 0 CEAERO CC[C@@H]([NH2+][C@H]1CC(=O)N(C2CCCCC2)C1=O)C(C)C ZINC000105028343 186038743 /nfs/dbraw/zinc/03/87/43/186038743.db2.gz MGPUNHPBRJSWIM-KGLIPLIRSA-N 1 0 280.412 2.471 10 0 CEAERO CCn1ccnc1C(=O)C1([NH+]2CCCC2)CCCC1 ZINC000091639953 180211904 /nfs/dbraw/zinc/21/19/04/180211904.db2.gz JRUVDMPZYPXMAT-UHFFFAOYSA-N 1 0 261.369 2.494 10 0 CEAERO COc1cccc(C[C@@H](N)C2([NH+](C)C)CCCC2)c1 ZINC000091637388 180212001 /nfs/dbraw/zinc/21/20/01/180212001.db2.gz SCYUABFJOXHBBH-OAHLLOKOSA-N 1 0 262.397 2.439 10 0 CEAERO CC[NH2+][C@H](Cc1ccnc(N)c1)C1(N(C)C)CCCC1 ZINC000091637934 180212412 /nfs/dbraw/zinc/21/24/12/180212412.db2.gz WCRSZDJATJAWRI-CQSZACIVSA-N 1 0 276.428 2.059 10 0 CEAERO CCCn1ncnc1CC(=O)C1([NH+]2CCCC2)CCCC1 ZINC000091640114 180213574 /nfs/dbraw/zinc/21/35/74/180213574.db2.gz XRGOLPRNOPNSOV-UHFFFAOYSA-N 1 0 290.411 2.208 10 0 CEAERO [NH3+][C@@H](Cc1ccc(F)cc1)C1(N2CCOCC2)CCCC1 ZINC000091643025 180214097 /nfs/dbraw/zinc/21/40/97/180214097.db2.gz HPXQJJGKCBSTJZ-INIZCTEOSA-N 1 0 292.398 2.341 10 0 CEAERO [NH3+][C@@H](c1ccsc1)C1(N2CCOCC2)CCCC1 ZINC000091642852 180214202 /nfs/dbraw/zinc/21/42/02/180214202.db2.gz MYKOKJUBLRNJPD-ZDUSSCGKSA-N 1 0 266.410 2.393 10 0 CEAERO C[NH2+][C@@H](c1ccco1)C1(N2CCOCC2)CCCC1 ZINC000091643191 180214360 /nfs/dbraw/zinc/21/43/60/180214360.db2.gz UKFQYYPEGSKFCW-AWEZNQCLSA-N 1 0 264.369 2.185 10 0 CEAERO CC(C)Cn1ncnc1C[C@@H](N)C1([NH+](C)C)CCCCC1 ZINC000091646996 180215470 /nfs/dbraw/zinc/21/54/70/180215470.db2.gz OLEULKVVVMKTEQ-CQSZACIVSA-N 1 0 293.459 2.068 10 0 CEAERO CC[NH2+][C@@H](Cc1cnn(C)c1)C1(N(C)C)CCCCC1 ZINC000091647782 180215679 /nfs/dbraw/zinc/21/56/79/180215679.db2.gz CUHSXABZLCLANL-HNNXBMFYSA-N 1 0 278.444 2.205 10 0 CEAERO C[NH2+][C@H](c1cnccc1N)C1(N(C)C)CCC(C)CC1 ZINC000091649127 180216542 /nfs/dbraw/zinc/21/65/42/180216542.db2.gz CMMJCRFORLLMPN-DSSZZKGTSA-N 1 0 276.428 2.435 10 0 CEAERO CCn1cc(C[C@H](O)C2([NH+](C)C)CCCCCC2)cn1 ZINC000091653807 180217045 /nfs/dbraw/zinc/21/70/45/180217045.db2.gz CVLMGNZCFRXVIB-HNNXBMFYSA-N 1 0 279.428 2.461 10 0 CEAERO O=C(Cc1ccc(F)cc1Cl)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091714179 180231619 /nfs/dbraw/zinc/23/16/19/180231619.db2.gz CVXRNNLMXBTJAK-IUODEOHRSA-N 1 0 297.757 2.454 10 0 CEAERO CC[NH+](CC)CC[C@@H](O)Cc1nn(C)c2ccccc12 ZINC000091714409 180231665 /nfs/dbraw/zinc/23/16/65/180231665.db2.gz OOUPEXFUCVEXIR-CYBMUJFWSA-N 1 0 275.396 2.209 10 0 CEAERO CCC1CCC([C@H]([NH2+]C)[C@@H]2CN(C)CCO2)CC1 ZINC000091718094 180231996 /nfs/dbraw/zinc/23/19/96/180231996.db2.gz QHJZRYCNXPLPGA-WUCCLRPBSA-N 1 0 254.418 2.121 10 0 CEAERO CC(C)c1ccc(C[C@@H]([NH3+])[C@H]2CN(C)CCO2)cc1 ZINC000091717308 180232882 /nfs/dbraw/zinc/23/28/82/180232882.db2.gz ZWVGJPNXGFSPPR-HZPDHXFCSA-N 1 0 262.397 2.010 10 0 CEAERO C[NH2+][C@H](Cc1c(C)cc(C)cc1C)[C@@H]1CN(C)CCO1 ZINC000091717883 180232937 /nfs/dbraw/zinc/23/29/37/180232937.db2.gz ZEKXVCAMCAXGNM-SJORKVTESA-N 1 0 276.424 2.073 10 0 CEAERO CC[NH2+][C@@H](Cc1ccc2c(c1)CCC2)[C@H]1CN(C)CCO1 ZINC000091718240 180233561 /nfs/dbraw/zinc/23/35/61/180233561.db2.gz VQYWOMCSGICTGY-ZWKOTPCHSA-N 1 0 288.435 2.027 10 0 CEAERO C[NH2+][C@H](Cc1cc(Cl)ccc1OC)CN(C)C ZINC000091719633 180234244 /nfs/dbraw/zinc/23/42/44/180234244.db2.gz RWLAHLDIFRLLNX-GFCCVEGCSA-N 1 0 256.777 2.041 10 0 CEAERO CCC[NH2+][C@H](Cc1cccc(C)c1)[C@H]1CN(C)CCO1 ZINC000091719245 180234423 /nfs/dbraw/zinc/23/44/23/180234423.db2.gz DYYYEMLMCPVFTQ-IAGOWNOFSA-N 1 0 276.424 2.236 10 0 CEAERO CCC[NH2+][C@@H](CCc1ccc2c(c1)CCO2)CN(C)C ZINC000091719948 180234919 /nfs/dbraw/zinc/23/49/19/180234919.db2.gz FTYRSWCMYZSNEC-INIZCTEOSA-N 1 0 276.424 2.484 10 0 CEAERO CCOc1ccc([C@H]([NH2+]C)[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000091721042 180235227 /nfs/dbraw/zinc/23/52/27/180235227.db2.gz CSHHRGVQWKBFKD-OIISXLGYSA-N 1 0 290.407 2.209 10 0 CEAERO CCc1ccc(C[C@H]([NH3+])[C@@H]2CN3CCC[C@@H]3CO2)s1 ZINC000091720717 180236592 /nfs/dbraw/zinc/23/65/92/180236592.db2.gz NZWMZQIWOUTJAX-UGFHNGPFSA-N 1 0 280.437 2.044 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1ccc(F)c(Cl)c1 ZINC000624235805 350239417 /nfs/dbraw/zinc/23/94/17/350239417.db2.gz PRGXRTREJVMIKY-CKLFPEKLSA-N 1 0 273.735 2.280 10 0 CEAERO C[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1cccc(OC(F)F)c1 ZINC000624235547 350239679 /nfs/dbraw/zinc/23/96/79/350239679.db2.gz MEWUVVDVHMKWDO-TVYUQYBPSA-N 1 0 287.306 2.088 10 0 CEAERO CCc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2C[NH3+])o1 ZINC000091762966 180248203 /nfs/dbraw/zinc/24/82/03/180248203.db2.gz RQLUZBOKFMIIJU-YPMHNXCESA-N 1 0 264.369 2.432 10 0 CEAERO C[C@H]([NH3+])c1cccn1CC(=O)Nc1ccc(F)cc1 ZINC000091799854 180259479 /nfs/dbraw/zinc/25/94/79/180259479.db2.gz XTIXBHMDLIAGFJ-JTQLQIEISA-N 1 0 261.300 2.286 10 0 CEAERO CC[N@H+]([C@@H](C)COC)[C@@H](C)c1ccc(C(=O)OC)o1 ZINC000091781960 180253898 /nfs/dbraw/zinc/25/38/98/180253898.db2.gz LXWFVAHORWFFAL-QWRGUYRKSA-N 1 0 269.341 2.484 10 0 CEAERO CC[NH2+][C@@H]1CCCc2sc([C@H]3CN(C)CCO3)nc21 ZINC000091722552 180239852 /nfs/dbraw/zinc/23/98/52/180239852.db2.gz WQDKGVWAOGCJIM-GHMZBOCLSA-N 1 0 281.425 2.133 10 0 CEAERO COC(=O)c1ccc(Cn2cccc2[C@H](C)[NH3+])cc1 ZINC000091800145 180259256 /nfs/dbraw/zinc/25/92/56/180259256.db2.gz QJHFGEZHWGBFCV-NSHDSACASA-N 1 0 258.321 2.343 10 0 CEAERO Cc1nc([C@H]2CN(C)CCO2)sc1C[NH2+]C(C)(C)C ZINC000091723158 180242176 /nfs/dbraw/zinc/24/21/76/180242176.db2.gz NYKDYMGDIXIZLQ-LLVKDONJSA-N 1 0 283.441 2.343 10 0 CEAERO Cc1noc(CC[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)n1 ZINC000105469788 186058470 /nfs/dbraw/zinc/05/84/70/186058470.db2.gz VWFOPPZJWQQODC-BXKDBHETSA-N 1 0 261.325 2.427 10 0 CEAERO C[C@H]([NH3+])c1cccn1Cc1nn(C)c2ccccc12 ZINC000091800388 180259332 /nfs/dbraw/zinc/25/93/32/180259332.db2.gz UOQDTYGDTSPSEQ-NSHDSACASA-N 1 0 254.337 2.443 10 0 CEAERO CCN(C(=O)c1ccc(C)n1C)C1CCC([NH3+])CC1 ZINC000091850464 180272321 /nfs/dbraw/zinc/27/23/21/180272321.db2.gz QYFSFUGLMXNDPY-UHFFFAOYSA-N 1 0 263.385 2.066 10 0 CEAERO CCCN(C(=O)Cc1ccncc1)C1CCC([NH3+])CC1 ZINC000091852066 180272686 /nfs/dbraw/zinc/27/26/86/180272686.db2.gz XFMKJYCHYSNEMD-UHFFFAOYSA-N 1 0 275.396 2.133 10 0 CEAERO CCCN(C(=O)c1c(C)n[nH]c1C)C1CCC([NH3+])CC1 ZINC000091851903 180272887 /nfs/dbraw/zinc/27/28/87/180272887.db2.gz GRQPLVSOOVIBPO-UHFFFAOYSA-N 1 0 278.400 2.149 10 0 CEAERO CCC(C)(C)NC(=O)[C@H](C)[N@H+](C)C1CCC(=O)CC1 ZINC000091854082 180273441 /nfs/dbraw/zinc/27/34/41/180273441.db2.gz AGMCRIYOIZOVSK-NSHDSACASA-N 1 0 268.401 2.123 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)c2cccc(F)c2)CC1 ZINC000091854552 180274348 /nfs/dbraw/zinc/27/43/48/180274348.db2.gz BRHWRYZPMWHIKR-UHFFFAOYSA-N 1 0 264.344 2.428 10 0 CEAERO Cc1ccccc1NC(=O)Cn1ccc([C@H](C)[NH3+])c1 ZINC000091803478 180260088 /nfs/dbraw/zinc/26/00/88/180260088.db2.gz GZUTTZCKELXNEK-LBPRGKRZSA-N 1 0 257.337 2.455 10 0 CEAERO CCC[NH2+][C@H](C)c1ccn(CC(=O)NC(C)C)c1 ZINC000091805921 180260901 /nfs/dbraw/zinc/26/09/01/180260901.db2.gz QCKGLIQDOBROFF-GFCCVEGCSA-N 1 0 251.374 2.073 10 0 CEAERO CC[NH2+][C@H](CC)c1ccn(CCC(=O)N(C)C)c1 ZINC000091817134 180263135 /nfs/dbraw/zinc/26/31/35/180263135.db2.gz LFZWCMLBYPJZMM-CYBMUJFWSA-N 1 0 251.374 2.027 10 0 CEAERO CCC[C@@H]([NH2+]CC)c1ccn(CCC(=O)NCC)c1 ZINC000091823013 180263990 /nfs/dbraw/zinc/26/39/90/180263990.db2.gz KQOBLUJRVSQPDN-CQSZACIVSA-N 1 0 265.401 2.465 10 0 CEAERO CCC[C@@H]([NH2+]C)c1ccn(CC(=O)NC(C)C)c1 ZINC000091821765 180264159 /nfs/dbraw/zinc/26/41/59/180264159.db2.gz ZWQZMBRFLITFHY-CYBMUJFWSA-N 1 0 251.374 2.073 10 0 CEAERO CC[NH2+][C@@H](c1ccn(Cc2ncnn2CC)c1)C(C)C ZINC000091828141 180264484 /nfs/dbraw/zinc/26/44/84/180264484.db2.gz AQXOJRFRVHJNAS-OAHLLOKOSA-N 1 0 275.400 2.454 10 0 CEAERO CCOc1cc(NCc2ccc(C[NH3+])cc2F)nc(C)n1 ZINC000090787778 539786141 /nfs/dbraw/zinc/78/61/41/539786141.db2.gz GHXFUNCYMIRAKN-UHFFFAOYSA-N 1 0 290.342 2.394 10 0 CEAERO CC[NH2+][C@@H](c1ccn(CCC(=O)OC)c1)C1CC1 ZINC000091838148 180268280 /nfs/dbraw/zinc/26/82/80/180268280.db2.gz BLTLKUOCPXENJB-CQSZACIVSA-N 1 0 250.342 2.112 10 0 CEAERO CCN(C(=O)c1ccc2c(c1)CCO2)C1CCC([NH3+])CC1 ZINC000091850194 180271726 /nfs/dbraw/zinc/27/17/26/180271726.db2.gz BMVVUJPKUMNXFI-UHFFFAOYSA-N 1 0 288.391 2.354 10 0 CEAERO CCN(C(=O)c1ccc(N(C)C)cc1)C1CCC([NH3+])CC1 ZINC000091850385 180271803 /nfs/dbraw/zinc/27/18/03/180271803.db2.gz LYHXNIUWMHSGDH-UHFFFAOYSA-N 1 0 289.423 2.485 10 0 CEAERO COCC[NH2+]Cc1ncoc1-c1cc(C)oc1C ZINC000091959498 180292254 /nfs/dbraw/zinc/29/22/54/180292254.db2.gz QQWBBJBEFVDTQC-UHFFFAOYSA-N 1 0 250.298 2.287 10 0 CEAERO NC(=[NH2+])[C@@H](NC(=O)N1CCCCC1)C1CCCCC1 ZINC000091969865 180295007 /nfs/dbraw/zinc/29/50/07/180295007.db2.gz UWHZTPQSVHQLML-LBPRGKRZSA-N 1 0 266.389 2.067 10 0 CEAERO COc1cccc(N(CCC[NH3+])C(=O)N2CCCC2)c1 ZINC000091962961 180293119 /nfs/dbraw/zinc/29/31/19/180293119.db2.gz JLOJKIWKSYTQLK-UHFFFAOYSA-N 1 0 277.368 2.066 10 0 CEAERO CN(C(=O)N1CCCC1)C1(C[NH3+])CCCCCC1 ZINC000091963130 180293255 /nfs/dbraw/zinc/29/32/55/180293255.db2.gz RCSCKVYXAQVTPT-UHFFFAOYSA-N 1 0 253.390 2.186 10 0 CEAERO C[C@@H]([NH3+])c1csc(NC(=O)N2CCCCC2)n1 ZINC000091969140 180294451 /nfs/dbraw/zinc/29/44/51/180294451.db2.gz SYABZCDYOOKLBC-MRVPVSSYSA-N 1 0 254.359 2.181 10 0 CEAERO C[NH2+]C1CCC(Nc2nccc(C(F)(F)F)n2)CC1 ZINC000091873559 180277926 /nfs/dbraw/zinc/27/79/26/180277926.db2.gz UJQPVFKDJPDCID-UHFFFAOYSA-N 1 0 274.290 2.438 10 0 CEAERO Cc1cnc(N)nc1N[C@H](CC[NH+](C)C)c1ccccc1 ZINC000091876896 180278779 /nfs/dbraw/zinc/27/87/79/180278779.db2.gz HSHXNRDSAYHVKY-CQSZACIVSA-N 1 0 285.395 2.472 10 0 CEAERO CC(C)[C@]1(CCCS(C)(=O)=O)CCCCC[NH2+]1 ZINC000091874934 180278936 /nfs/dbraw/zinc/27/89/36/180278936.db2.gz SLJLOQXWFQRRSD-CYBMUJFWSA-N 1 0 261.431 2.370 10 0 CEAERO C[NH2+]C1CCC(N(C)c2ncc(Br)cn2)CC1 ZINC000091873726 180278967 /nfs/dbraw/zinc/27/89/67/180278967.db2.gz DVUQMOMDZMDBSI-UHFFFAOYSA-N 1 0 299.216 2.206 10 0 CEAERO [NH3+]C[C@@]1(C2(O)Cc3ccccc3C2)CCc2ccccc21 ZINC000091905351 180284009 /nfs/dbraw/zinc/28/40/09/180284009.db2.gz JYOVAEIYLGBGIR-SFHVURJKSA-N 1 0 279.383 2.359 10 0 CEAERO CC[C@](O)(C(C)C)[C@]1(C[NH3+])COc2ccccc2C1 ZINC000091906670 180284032 /nfs/dbraw/zinc/28/40/32/180284032.db2.gz OCGXGPJZYIGFBD-CVEARBPZSA-N 1 0 263.381 2.364 10 0 CEAERO CC[C@@](C)(C[NH3+])[C@@](C)(O)Cc1ccc(OC)cc1 ZINC000091907664 180284152 /nfs/dbraw/zinc/28/41/52/180284152.db2.gz AKSWMXGMMDSKGM-GJZGRUSLSA-N 1 0 251.370 2.364 10 0 CEAERO C[C@@H]1CC(C)(C)C[C@@](O)(C2(C[NH3+])CCOCC2)C1 ZINC000091904861 180284209 /nfs/dbraw/zinc/28/42/09/180284209.db2.gz FFNZPKXFEMPBSY-IUODEOHRSA-N 1 0 255.402 2.319 10 0 CEAERO COc1ccc(N(CCC[NH3+])C(=O)N2CCCCC2)cc1 ZINC000091969018 180294754 /nfs/dbraw/zinc/29/47/54/180294754.db2.gz TXYLRZGCVLIERY-UHFFFAOYSA-N 1 0 291.395 2.456 10 0 CEAERO [NH3+]CC1([C@@H](O)c2cc(Cl)c3c(c2)OCCO3)CCC1 ZINC000091910001 180284628 /nfs/dbraw/zinc/28/46/28/180284628.db2.gz XGGQNWNAIKWDHX-ZDUSSCGKSA-N 1 0 283.755 2.274 10 0 CEAERO [NH3+]C[C@]1([C@@H](O)c2ccsc2)COc2ccccc2C1 ZINC000091909759 180284868 /nfs/dbraw/zinc/28/48/68/180284868.db2.gz FBDDDIBJWPLDTP-GJZGRUSLSA-N 1 0 275.373 2.362 10 0 CEAERO CCC1CCC(C[NH3+])([C@@H](O)[C@H]2CCCOC2)CC1 ZINC000091913628 180285118 /nfs/dbraw/zinc/28/51/18/180285118.db2.gz YITYFMWPGRMCHF-GQKFXUNGSA-N 1 0 255.402 2.319 10 0 CEAERO [NH3+]CC1([C@@H](O)c2ccc3c(c2)OCO3)CCCCC1 ZINC000091910503 180285177 /nfs/dbraw/zinc/28/51/77/180285177.db2.gz BNMBJODEWSMKCP-AWEZNQCLSA-N 1 0 263.337 2.358 10 0 CEAERO CC[C@](C)(C[NH3+])[C@@H](O)c1ccc2c(c1)OCCCO2 ZINC000091912466 180285254 /nfs/dbraw/zinc/28/52/54/180285254.db2.gz BZYMNZBTCUQEMH-LSDHHAIUSA-N 1 0 265.353 2.256 10 0 CEAERO Cc1cc(C)c([C@@H](O)C2(C[NH3+])CCOCC2)c(C)c1 ZINC000091911188 180285266 /nfs/dbraw/zinc/28/52/66/180285266.db2.gz GFVQKORCMXVIMP-OAHLLOKOSA-N 1 0 263.381 2.401 10 0 CEAERO CCc1ccc([C@H](O)[C@@]2(C[NH3+])COc3ccccc3C2)o1 ZINC000091912447 180285277 /nfs/dbraw/zinc/28/52/77/180285277.db2.gz HCKUZGFOAPHYAZ-IRXDYDNUSA-N 1 0 287.359 2.456 10 0 CEAERO [NH3+]C[C@]1([C@@H](O)[C@H]2CC=CCC2)COc2ccccc2C1 ZINC000091913911 180285989 /nfs/dbraw/zinc/28/59/89/180285989.db2.gz KDXQAOZWGLVGTJ-JQFCIGGWSA-N 1 0 273.376 2.284 10 0 CEAERO CCC1CCC(C[NH3+])([C@]2(O)CCO[C@H](C)C2)CC1 ZINC000091918508 180286725 /nfs/dbraw/zinc/28/67/25/180286725.db2.gz BYFAZGNNAPIKKV-URGYJCLVSA-N 1 0 255.402 2.462 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H](C)c2cccs2)C1 ZINC000092052138 180312567 /nfs/dbraw/zinc/31/25/67/180312567.db2.gz JOKMTHCMDALDPN-NWDGAFQWSA-N 1 0 254.399 2.119 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H](C)c2cc(C)oc2C)C1 ZINC000092052534 180313184 /nfs/dbraw/zinc/31/31/84/180313184.db2.gz MCWIXDMTEMNAHK-GXTWGEPZSA-N 1 0 266.385 2.268 10 0 CEAERO CCN(C(=O)N1CCCCCC1)[C@@](C)(CC)C[NH3+] ZINC000091971125 180295221 /nfs/dbraw/zinc/29/52/21/180295221.db2.gz XUWPPRAMFLSLJN-AWEZNQCLSA-N 1 0 255.406 2.432 10 0 CEAERO CC(C)N(CCC(N)=[NH2+])C(=O)N1CCCCCC1 ZINC000091971994 180295524 /nfs/dbraw/zinc/29/55/24/180295524.db2.gz TZXSCBOIOJCXMD-UHFFFAOYSA-N 1 0 254.378 2.019 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1C(=O)N1CCCCCC1 ZINC000091971603 180295545 /nfs/dbraw/zinc/29/55/45/180295545.db2.gz KYQZFOOBWLMWBW-CYBMUJFWSA-N 1 0 253.390 2.056 10 0 CEAERO C[C@H]1CCCN(C(=O)N2CCCCCC2)[C@@H]1C[NH3+] ZINC000091971659 180295746 /nfs/dbraw/zinc/29/57/46/180295746.db2.gz SQILUBUBGCEIOA-QWHCGFSZSA-N 1 0 253.390 2.042 10 0 CEAERO C[C@@H]([NH3+])c1csc(NC(=O)N2CCC[C@@H](C)C2)n1 ZINC000091973014 180295904 /nfs/dbraw/zinc/29/59/04/180295904.db2.gz CBLGDIJANNRTHF-RKDXNWHRSA-N 1 0 268.386 2.427 10 0 CEAERO CC1CCN(C(=O)N(C)CC[C@@H]2CCCC[NH2+]2)CC1 ZINC000091973144 180296894 /nfs/dbraw/zinc/29/68/94/180296894.db2.gz ZTUZPGAJEKSHNT-AWEZNQCLSA-N 1 0 267.417 2.302 10 0 CEAERO C[C@H]1CCCN(C(=O)N(C)c2cccc(C(N)=[NH2+])c2)C1 ZINC000091993296 180300275 /nfs/dbraw/zinc/30/02/75/180300275.db2.gz WEBHQJTZUOWFRJ-NSHDSACASA-N 1 0 274.368 2.259 10 0 CEAERO C[C@@H]1CCCN(C(=O)N[C@H](C(N)=[NH2+])C2CCCCC2)C1 ZINC000091993343 180300665 /nfs/dbraw/zinc/30/06/65/180300665.db2.gz WYLCCOYEACKPGD-YPMHNXCESA-N 1 0 280.416 2.313 10 0 CEAERO CCC[C@H](C)NC(=O)[C@H](C)Oc1ccc(C)nc1C[NH2+]C ZINC000091994301 180300944 /nfs/dbraw/zinc/30/09/44/180300944.db2.gz DRZGBDWPWFEKLH-AAEUAGOBSA-N 1 0 293.411 2.182 10 0 CEAERO C[NH2+]Cc1nc(C)ccc1OCc1c(Cl)c(C)nn1C ZINC000091994597 180301223 /nfs/dbraw/zinc/30/12/23/180301223.db2.gz FKYNXCZPGYAZCT-UHFFFAOYSA-N 1 0 294.786 2.384 10 0 CEAERO CC[NH2+]Cc1nc(C)ccc1O[C@@H]1CCCC[C@@H]1O ZINC000091994811 180301370 /nfs/dbraw/zinc/30/13/70/180301370.db2.gz VZRHPOBSBRXVSN-DZGCQCFKSA-N 1 0 264.369 2.182 10 0 CEAERO Cc1ccc(OCc2nccn2C)c(C[NH2+]C(C)C)n1 ZINC000091995635 180301823 /nfs/dbraw/zinc/30/18/23/180301823.db2.gz GQALFIPSUYUQLV-UHFFFAOYSA-N 1 0 274.368 2.201 10 0 CEAERO Cc1ccc(OC[C@H](C)O)c(C[NH2+]C(C)(C)C)n1 ZINC000091996003 180301928 /nfs/dbraw/zinc/30/19/28/180301928.db2.gz JHCMDFFYPWALHC-NSHDSACASA-N 1 0 252.358 2.038 10 0 CEAERO Cc1ccc(O)c(CN2CCC[C@H](C[NH2+]C(C)C)C2)n1 ZINC000091996087 180302022 /nfs/dbraw/zinc/30/20/22/180302022.db2.gz OBDSOZFDDJPNSF-CQSZACIVSA-N 1 0 277.412 2.306 10 0 CEAERO Cc1ccc(OCC(C)(C)O)c(C[NH2+]C(C)C)n1 ZINC000091995548 180302093 /nfs/dbraw/zinc/30/20/93/180302093.db2.gz NVOFKGMBAQEXIY-UHFFFAOYSA-N 1 0 252.358 2.038 10 0 CEAERO CC(=O)c1csc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000092004568 180305994 /nfs/dbraw/zinc/30/59/94/180305994.db2.gz GMQVRNPZCAGIOS-MNOVXSKESA-N 1 0 265.382 2.019 10 0 CEAERO COCC[NH2+]C[C@H]1CCCN(C/C(Cl)=C/Cl)C1 ZINC000092026208 180308351 /nfs/dbraw/zinc/30/83/51/180308351.db2.gz KUSQSSXJZMKWGS-HBZGRHIISA-N 1 0 281.227 2.253 10 0 CEAERO Cc1cc(C[NH3+])cc(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)c1C ZINC000092113697 180327429 /nfs/dbraw/zinc/32/74/29/180327429.db2.gz NRAXSONTJQBYGZ-RYUDHWBXSA-N 1 0 296.436 2.039 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)N(Cc1ccco1)CC(F)(F)F ZINC000092134161 180332158 /nfs/dbraw/zinc/33/21/58/180332158.db2.gz ALOMPSHEUCFIGS-VIFPVBQESA-N 1 0 278.274 2.026 10 0 CEAERO COC(C)(C)c1noc([C@]2([NH3+])CCC[C@H](C)C2)n1 ZINC000092137776 180333618 /nfs/dbraw/zinc/33/36/18/180333618.db2.gz GXPQHTYVPQTJSV-ZANVPECISA-N 1 0 253.346 2.315 10 0 CEAERO C[NH2+]Cc1c(N2C[C@@H](C)[C@H](C)C2)nc2sccn12 ZINC000092086489 180320670 /nfs/dbraw/zinc/32/06/70/180320670.db2.gz IRHCMQCFKSYCPV-NXEZZACHSA-N 1 0 264.398 2.207 10 0 CEAERO C[C@H]1C[N@H+](CCOc2ccc(CC(N)=S)cc2)C[C@H]1C ZINC000092085481 180320808 /nfs/dbraw/zinc/32/08/08/180320808.db2.gz XIGHJBBCMXOXGO-BETUJISGSA-N 1 0 292.448 2.482 10 0 CEAERO COC(=O)[C@](C)(C[C@H](C)[N@@H+]1C[C@H](C)[C@H](C)C1)NC1CC1 ZINC000092087750 180321710 /nfs/dbraw/zinc/32/17/10/180321710.db2.gz FDJHMNVCBSFJJB-ZWUHOBOKSA-N 1 0 282.428 2.037 10 0 CEAERO CC1(C)Oc2ccc(NC(=O)[C@H]3C=C[C@@H]([NH3+])C3)cc2O1 ZINC000092202482 180342677 /nfs/dbraw/zinc/34/26/77/180342677.db2.gz BMYDQKWYYKCNEA-VHSXEESVSA-N 1 0 274.320 2.036 10 0 CEAERO Cc1ccc2nc(NC(=O)[C@@H]3C=C[C@H]([NH3+])C3)sc2c1 ZINC000092201238 180342891 /nfs/dbraw/zinc/34/28/91/180342891.db2.gz YPOJHOBXZVNFNU-ZJUUUORDSA-N 1 0 273.361 2.447 10 0 CEAERO CCOCc1ccccc1NC(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092202178 180342924 /nfs/dbraw/zinc/34/29/24/180342924.db2.gz JWVGOYVWZPEYPF-WCQYABFASA-N 1 0 260.337 2.065 10 0 CEAERO COc1cc(OC)c(NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)cc1Cl ZINC000092201343 180342930 /nfs/dbraw/zinc/34/29/30/180342930.db2.gz LZROBUYTJCUCSP-RKDXNWHRSA-N 1 0 296.754 2.199 10 0 CEAERO C[C@H](Cc1ccccc1Cl)NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092202521 180343014 /nfs/dbraw/zinc/34/30/14/180343014.db2.gz RXMSDFDEASUSIQ-RAIGVLPGSA-N 1 0 278.783 2.291 10 0 CEAERO CN(C(=O)[C@@H]1C=C[C@@H]([NH3+])C1)[C@@H]1CCc2ccccc21 ZINC000092202056 180343039 /nfs/dbraw/zinc/34/30/39/180343039.db2.gz WKSJCHIRUOPDIM-UMVBOHGHSA-N 1 0 256.349 2.036 10 0 CEAERO CN(CCOc1ccccc1Cl)C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092204654 180343595 /nfs/dbraw/zinc/34/35/95/180343595.db2.gz OEDWELVMSPWZQH-VXGBXAGGSA-N 1 0 294.782 2.081 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)N2CCC[C@@H]2c2cccs2)C1 ZINC000092204476 180343774 /nfs/dbraw/zinc/34/37/74/180343774.db2.gz YYEVOCNWUHFSER-IJLUTSLNSA-N 1 0 262.378 2.315 10 0 CEAERO CN(CCOc1ccc(Cl)cc1)C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092204442 180343894 /nfs/dbraw/zinc/34/38/94/180343894.db2.gz FUJTVFUFWXFWIJ-DGCLKSJQSA-N 1 0 294.782 2.081 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)NCc2ccccc2C(F)(F)F)C1 ZINC000092207422 180344113 /nfs/dbraw/zinc/34/41/13/180344113.db2.gz PABCQQUBYNQMHP-MWLCHTKSSA-N 1 0 284.281 2.225 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)NCc2ccccc2C(F)(F)F)C1 ZINC000092207421 180344117 /nfs/dbraw/zinc/34/41/17/180344117.db2.gz PABCQQUBYNQMHP-GXSJLCMTSA-N 1 0 284.281 2.225 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)N[C@@H]2CCCc3sccc32)C1 ZINC000092207403 180344169 /nfs/dbraw/zinc/34/41/69/180344169.db2.gz GDCQPQXDSHRRGN-HOSYDEDBSA-N 1 0 262.378 2.145 10 0 CEAERO CCC1CCC(CNC(=O)[C@H]2C=C[C@@H]([NH3+])C2)CC1 ZINC000092205757 180344177 /nfs/dbraw/zinc/34/41/77/180344177.db2.gz YBHLELJXIHOFCJ-CLRIEMFWSA-N 1 0 250.386 2.222 10 0 CEAERO C[C@@H](NC(=O)[C@H]1C=C[C@@H]([NH3+])C1)c1ccccc1Cl ZINC000092206702 180344231 /nfs/dbraw/zinc/34/42/31/180344231.db2.gz VPZQNJRINAXCMI-OUAUKWLOSA-N 1 0 264.756 2.421 10 0 CEAERO CCN(C(=O)c1ccc(SC)cc1)[C@H]1CC[NH2+]C1 ZINC000092232082 180348778 /nfs/dbraw/zinc/34/87/78/180348778.db2.gz SILHTTOHNQHMCD-LBPRGKRZSA-N 1 0 264.394 2.233 10 0 CEAERO CSc1ccc(C(=O)NCC[NH2+]C(C)C)cc1 ZINC000092231937 180348787 /nfs/dbraw/zinc/34/87/87/180348787.db2.gz RGNBZQQYPOZTSC-UHFFFAOYSA-N 1 0 252.383 2.136 10 0 CEAERO c1cnn(CC[NH2+]C[C@H]2Cc3ccccc3S2)c1 ZINC000092243074 180351825 /nfs/dbraw/zinc/35/18/25/180351825.db2.gz WZKAMMZOOXKEMN-CYBMUJFWSA-N 1 0 259.378 2.190 10 0 CEAERO CC[C@@](C)(CO)[NH2+]C[C@@H]1Cc2ccccc2S1 ZINC000092244573 180352052 /nfs/dbraw/zinc/35/20/52/180352052.db2.gz SJRCWEFDDBQUMU-JSGCOSHPSA-N 1 0 251.395 2.454 10 0 CEAERO C[C@@]1([NH2+]C[C@@H]2CSc3ccccc32)CCS(=O)(=O)C1 ZINC000092275307 180356504 /nfs/dbraw/zinc/35/65/04/180356504.db2.gz JFHVUADXTJAJIU-BXUZGUMPSA-N 1 0 297.445 2.043 10 0 CEAERO c1ccc(SCCN2CC[NH2+][C@@H](C3CC3)C2)cc1 ZINC000092272636 180356797 /nfs/dbraw/zinc/35/67/97/180356797.db2.gz NPJIEYGVGYWOHV-OAHLLOKOSA-N 1 0 262.422 2.463 10 0 CEAERO CC[C@@H](C)NC(=O)CC[NH2+]C[C@@H]1COc2ccccc21 ZINC000092299814 180358502 /nfs/dbraw/zinc/35/85/02/180358502.db2.gz XSKUTMYYKRJTEP-CHWSQXEVSA-N 1 0 276.380 2.057 10 0 CEAERO Cc1cnn(C[C@@H]2C[N@H+](CCc3ccccc3)CCO2)c1 ZINC000105891912 186083929 /nfs/dbraw/zinc/08/39/29/186083929.db2.gz KSXKRORPRAPRII-KRWDZBQOSA-N 1 0 285.391 2.135 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](c2nc(Cc3cccc(F)c3)no2)C1 ZINC000092181520 180338447 /nfs/dbraw/zinc/33/84/47/180338447.db2.gz CNOULLRYWDXHOV-PWSUYJOCSA-N 1 0 259.284 2.170 10 0 CEAERO Cc1cc(-c2noc([C@@H]3C=C[C@@H]([NH3+])C3)n2)cc(C)c1O ZINC000092182157 180338784 /nfs/dbraw/zinc/33/87/84/180338784.db2.gz QAHYXUVIQNLNME-ZYHUDNBSSA-N 1 0 271.320 2.430 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](c2nc(C3Cc4ccccc4C3)no2)C1 ZINC000092182141 180338846 /nfs/dbraw/zinc/33/88/46/180338846.db2.gz MUABMLTVMCJWNI-TZMCWYRMSA-N 1 0 267.332 2.323 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@H](C)CN1C[C@@H]1COc2ccccc21 ZINC000092307283 180360650 /nfs/dbraw/zinc/36/06/50/180360650.db2.gz SRZJXVBCAMCLGC-FMKPAKJESA-N 1 0 274.408 2.481 10 0 CEAERO CCCc1ccc([C@H](CN2C(=O)C[C@H](C)C2=O)[NH2+]C)cc1 ZINC000105832684 186075787 /nfs/dbraw/zinc/07/57/87/186075787.db2.gz YKKVTOYRDMRPTG-WFASDCNBSA-N 1 0 288.391 2.295 10 0 CEAERO CC[NH2+][C@H](CN1C(=O)C[C@H](C)C1=O)c1ccc(CC)cc1 ZINC000105832438 186076259 /nfs/dbraw/zinc/07/62/59/186076259.db2.gz KBWFZLUCQVQRQH-SWLSCSKDSA-N 1 0 288.391 2.295 10 0 CEAERO CC(C)N1C(=O)C[C@H]([NH2+][C@@H](C)CCc2ccccc2)C1=O ZINC000105908584 186087005 /nfs/dbraw/zinc/08/70/05/186087005.db2.gz IFZDJLANDLMCBB-ZFWWWQNUSA-N 1 0 288.391 2.133 10 0 CEAERO CCC[NH2+]CCc1c(CC)nc(N(C)C)nc1CC ZINC000092318729 180361800 /nfs/dbraw/zinc/36/18/00/180361800.db2.gz QGTCIMBDVNJTLQ-UHFFFAOYSA-N 1 0 264.417 2.210 10 0 CEAERO CCC[NH2+]CCc1c(C)nn(-c2nc(C)cc(C)n2)c1C ZINC000092320498 180361854 /nfs/dbraw/zinc/36/18/54/180361854.db2.gz UYQGPJHABMEFRJ-UHFFFAOYSA-N 1 0 287.411 2.438 10 0 CEAERO Cc1cnn([C@@H]2CCC[N@H+](CCc3ccccn3)C2)c1 ZINC000105923472 186091499 /nfs/dbraw/zinc/09/14/99/186091499.db2.gz VATJGVMWLXYYNM-MRXNPFEDSA-N 1 0 270.380 2.466 10 0 CEAERO C[NH2+]CCc1c(C)nn(-c2ccc(OC)cc2)c1C ZINC000092323099 180362499 /nfs/dbraw/zinc/36/24/99/180362499.db2.gz XXXFKAQTFLUHMT-UHFFFAOYSA-N 1 0 259.353 2.260 10 0 CEAERO Cc1noc(C)c1[C@H](C)NC(=O)CCC[NH2+]C(C)C ZINC000092329965 180363724 /nfs/dbraw/zinc/36/37/24/180363724.db2.gz MVPUDINGDIIXQF-JTQLQIEISA-N 1 0 267.373 2.247 10 0 CEAERO CC(C)CCNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106424767 186116682 /nfs/dbraw/zinc/11/66/82/186116682.db2.gz PEVIYJCLTNJCPM-OAHLLOKOSA-N 1 0 262.397 2.322 10 0 CEAERO Cc1cc(N[C@H]2C=CS(=O)(=O)C2)c2ccccc2[nH+]1 ZINC000106066183 186100462 /nfs/dbraw/zinc/10/04/62/186100462.db2.gz TYGOQUWBTCJGKC-NSHDSACASA-N 1 0 274.345 2.266 10 0 CEAERO Cc1noc(C)c1CNCC[C@@H]1CCCC[N@H+]1C ZINC000092339578 180365403 /nfs/dbraw/zinc/36/54/03/180365403.db2.gz XODDMOQIFZTIJI-ZDUSSCGKSA-N 1 0 251.374 2.255 10 0 CEAERO CC[C@@H]1CN(Cc2c(C)noc2C)[C@H](C(C)C)C[NH2+]1 ZINC000092342626 180366761 /nfs/dbraw/zinc/36/67/61/180366761.db2.gz VKHCIJTWCBENKZ-HIFRSBDPSA-N 1 0 265.401 2.500 10 0 CEAERO CCCNc1cccc(C[N@H+](CCOC)[C@H](C)COC)n1 ZINC000092369607 180369659 /nfs/dbraw/zinc/36/96/59/180369659.db2.gz YNWCRWQYIRIRCJ-CQSZACIVSA-N 1 0 295.427 2.387 10 0 CEAERO NNc1cccc(CN2CCC(C(F)(F)F)CC2)[nH+]1 ZINC000092370556 180369672 /nfs/dbraw/zinc/36/96/72/180369672.db2.gz RWUZYUJRGCOWMZ-UHFFFAOYSA-N 1 0 274.290 2.142 10 0 CEAERO COc1cccc(C[N@H+](C)Cc2cccc(N)n2)c1 ZINC000092370121 180370085 /nfs/dbraw/zinc/37/00/85/180370085.db2.gz VXRHVAWVOVZHEE-UHFFFAOYSA-N 1 0 257.337 2.304 10 0 CEAERO CC[S@@](=O)[C@H]1CCc2ccc(OC)cc2[C@@H]1[NH2+]C ZINC000092388813 180374609 /nfs/dbraw/zinc/37/46/09/180374609.db2.gz POGZFPWHYHFSTR-DEYYWGMASA-N 1 0 267.394 2.039 10 0 CEAERO COc1ccc2c(c1)[C@@](CO)([NH2+]CC(C)C)CCC2 ZINC000092387532 180374717 /nfs/dbraw/zinc/37/47/17/180374717.db2.gz HNWKGROCORNFLM-MRXNPFEDSA-N 1 0 263.381 2.465 10 0 CEAERO C[NH2+][C@H]1c2cc(OC)ccc2CC[C@@H]1SCCCO ZINC000092390239 180375182 /nfs/dbraw/zinc/37/51/82/180375182.db2.gz JVJLKXRAXNNBPS-GJZGRUSLSA-N 1 0 281.421 2.386 10 0 CEAERO COC(=O)CCS[C@@H]1CCc2ccc(OC)cc2[C@@H]1[NH3+] ZINC000092389402 180375493 /nfs/dbraw/zinc/37/54/93/180375493.db2.gz ADUFHXRNOLRYDY-HIFRSBDPSA-N 1 0 295.404 2.306 10 0 CEAERO CCc1nn(C)cc1C[NH2+]CCc1ccc2c(c1)CCO2 ZINC000092393822 180376024 /nfs/dbraw/zinc/37/60/24/180376024.db2.gz MVBVOZOHGSOLRV-UHFFFAOYSA-N 1 0 285.391 2.250 10 0 CEAERO CCc1nn(CC)c(C[NH2+][C@H](CO)C(C)C)c1Cl ZINC000092400492 180377279 /nfs/dbraw/zinc/37/72/79/180377279.db2.gz FIZLHGBFUBYYSR-LLVKDONJSA-N 1 0 273.808 2.225 10 0 CEAERO CC(C)[C@H]1CO[C@H](c2ccc3c(c2)OCCO3)C[NH2+]1 ZINC000092403377 180378439 /nfs/dbraw/zinc/37/84/39/180378439.db2.gz VSERRWYEDJBIOB-DOMZBBRYSA-N 1 0 263.337 2.143 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1Cc1cc(Cl)ccn1 ZINC000092416638 180381172 /nfs/dbraw/zinc/38/11/72/180381172.db2.gz KOQCLOZZMFDSCS-CYBMUJFWSA-N 1 0 253.777 2.261 10 0 CEAERO CCC(CC)[N@H+](CCO)Cc1cc(NC)ccn1 ZINC000092418747 180381219 /nfs/dbraw/zinc/38/12/19/180381219.db2.gz LNPQATAFCNIUKL-UHFFFAOYSA-N 1 0 251.374 2.106 10 0 CEAERO COc1cccc(CN(C)Cc2cc(N)cc[nH+]2)c1 ZINC000092418956 180381961 /nfs/dbraw/zinc/38/19/61/180381961.db2.gz OVUALPKXLOVOHX-UHFFFAOYSA-N 1 0 257.337 2.304 10 0 CEAERO CCc1[nH+]c(-c2cc(OC)cc(OC)c2)c(N)n1C ZINC000106832911 186138318 /nfs/dbraw/zinc/13/83/18/186138318.db2.gz ZGTOUYINODRVDS-UHFFFAOYSA-N 1 0 261.325 2.249 10 0 CEAERO CCCOCCO[C@H]1CCc2ccc(OC)cc2[C@H]1[NH3+] ZINC000092386827 180373579 /nfs/dbraw/zinc/37/35/79/180373579.db2.gz SEGWJKLDCYGKRA-JKSUJKDBSA-N 1 0 279.380 2.453 10 0 CEAERO COc1ccc2c(c1)[C@](CN)([NH2+]CC1CC1)CCC2 ZINC000092384838 180373684 /nfs/dbraw/zinc/37/36/84/180373684.db2.gz UEXGLVIQOZSHJI-INIZCTEOSA-N 1 0 260.381 2.185 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@@H](OC[C@@H]1CCOC1)CC2 ZINC000092386749 180373737 /nfs/dbraw/zinc/37/37/37/180373737.db2.gz NKMCYCAIZAOXHS-RLCCDNCMSA-N 1 0 277.364 2.063 10 0 CEAERO C[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CCS1 ZINC000106917637 186151044 /nfs/dbraw/zinc/15/10/44/186151044.db2.gz AOLIUCPBEHOPQS-UKRRQHHQSA-N 1 0 292.448 2.123 10 0 CEAERO CCOc1cc2c(cc1CN1CC[NH2+][C@H](C)C1)O[C@@H](C)C2 ZINC000092456742 180389813 /nfs/dbraw/zinc/38/98/13/180389813.db2.gz WGNCPBKGNTXXQO-OLZOCXBDSA-N 1 0 290.407 2.202 10 0 CEAERO COc1ccc(-c2cn3c(n2)[C@H](C)C[C@@H]([NH3+])C3)cc1 ZINC000107827625 186194029 /nfs/dbraw/zinc/19/40/29/186194029.db2.gz NOXGJMYEZJTFPH-ZYHUDNBSSA-N 1 0 257.337 2.393 10 0 CEAERO CC(C)CN(CC(C)C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000107926939 186198598 /nfs/dbraw/zinc/19/85/98/186198598.db2.gz POLUWCNEEKTSOA-XYPWUTKMSA-N 1 0 296.455 2.115 10 0 CEAERO CC[C@@H](C)N1C(=O)C[C@@H]([NH2+]CC2CCC(C)CC2)C1=O ZINC000109180707 186245140 /nfs/dbraw/zinc/24/51/40/186245140.db2.gz ZVSFXIDFXRKBHN-FKZOYECMSA-N 1 0 280.412 2.328 10 0 CEAERO C[NH2+]C1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000109497463 186256560 /nfs/dbraw/zinc/25/65/60/186256560.db2.gz MZRDEIWHVPQERM-UHFFFAOYSA-N 1 0 258.325 2.377 10 0 CEAERO CCC[NH2+][C@@H](Cc1nc(-c2ccccn2)no1)C1CC1 ZINC000109497555 186256632 /nfs/dbraw/zinc/25/66/32/186256632.db2.gz BCRQXBUHORMEEP-ZDUSSCGKSA-N 1 0 272.352 2.452 10 0 CEAERO CCOc1cccc(-c2noc(CC[C@H](C)[NH3+])n2)c1 ZINC000109502837 186257193 /nfs/dbraw/zinc/25/71/93/186257193.db2.gz LGSJWVFBHCXVJX-JTQLQIEISA-N 1 0 261.325 2.415 10 0 CEAERO COc1ccc(-c2noc([C@H]3CCC[C@H]3[NH3+])n2)cc1OC ZINC000109505620 186257236 /nfs/dbraw/zinc/25/72/36/186257236.db2.gz IPCAHGOCALLXQC-WDEREUQCSA-N 1 0 289.335 2.349 10 0 CEAERO COC[C@@H]([NH3+])Cc1nc(-c2ccc(F)cc2Cl)no1 ZINC000109514453 186258107 /nfs/dbraw/zinc/25/81/07/186258107.db2.gz CWSXBRBWRWJRHJ-QMMMGPOBSA-N 1 0 285.706 2.045 10 0 CEAERO CCCOCc1noc(C[C@H]([NH2+]C)C(C)(C)C)n1 ZINC000109519744 186258967 /nfs/dbraw/zinc/25/89/67/186258967.db2.gz WJWXNDYKUYRANV-JTQLQIEISA-N 1 0 255.362 2.173 10 0 CEAERO COc1ccc(Cc2nc(C3CC3)cc(NN)[nH+]2)cc1 ZINC000109527470 186259908 /nfs/dbraw/zinc/25/99/08/186259908.db2.gz OLVOVUVGLATPAP-UHFFFAOYSA-N 1 0 270.336 2.239 10 0 CEAERO COc1ccc(-c2nc(C3CC3)cc(NN)[nH+]2)cc1OC ZINC000109527375 186260125 /nfs/dbraw/zinc/26/01/25/186260125.db2.gz WBRVXQWWUKAAOX-UHFFFAOYSA-N 1 0 286.335 2.324 10 0 CEAERO Cc1cc(C)nc(NCc2ccc(C[NH3+])cc2F)n1 ZINC000109540784 186260733 /nfs/dbraw/zinc/26/07/33/186260733.db2.gz UBEFOHYRGDMWQT-UHFFFAOYSA-N 1 0 260.316 2.303 10 0 CEAERO C[NH2+]Cc1cc(N2CCCOCC2)c2ccccc2n1 ZINC000109589542 186265118 /nfs/dbraw/zinc/26/51/18/186265118.db2.gz SMWFHEPOBUCYQU-UHFFFAOYSA-N 1 0 271.364 2.181 10 0 CEAERO CC[NH2+][C@H]1CCOC[C@@H]1N(CCC(C)C)C1CC1 ZINC000109623872 186268738 /nfs/dbraw/zinc/26/87/38/186268738.db2.gz SFCBWSFGRSGXNE-GJZGRUSLSA-N 1 0 254.418 2.264 10 0 CEAERO COc1cc(C)ccc1[C@@H](C)[NH2+]CCc1nncn1C ZINC000109422492 186251290 /nfs/dbraw/zinc/25/12/90/186251290.db2.gz JFTUDSMPQVQISB-GFCCVEGCSA-N 1 0 274.368 2.025 10 0 CEAERO CC(C)[C@@H]([NH2+]CCc1nncn1C)c1cccs1 ZINC000109422333 186251975 /nfs/dbraw/zinc/25/19/75/186251975.db2.gz QWLZVXRYXHCZFT-CYBMUJFWSA-N 1 0 264.398 2.406 10 0 CEAERO Cc1cccc(C2CC([NH2+]CCc3nncn3C)C2)c1 ZINC000109422050 186252069 /nfs/dbraw/zinc/25/20/69/186252069.db2.gz UYOGJDSITVDZCF-UHFFFAOYSA-N 1 0 270.380 2.202 10 0 CEAERO C[C@H](c1noc(-c2ccccc2Cl)n1)N1CC[NH2+]CC1 ZINC000109473864 186254712 /nfs/dbraw/zinc/25/47/12/186254712.db2.gz HORCLGMSMCZDEQ-SNVBAGLBSA-N 1 0 292.770 2.356 10 0 CEAERO C[C@H](c1nccc(-c2ccccc2)n1)N1CC[NH2+]CC1 ZINC000109475751 186254751 /nfs/dbraw/zinc/25/47/51/186254751.db2.gz LUBLMYWBKDWNQU-CYBMUJFWSA-N 1 0 268.364 2.110 10 0 CEAERO CCCC(CCC)(C(N)=S)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000110272516 186289582 /nfs/dbraw/zinc/28/95/82/186289582.db2.gz IARPYAZZJMRVQW-LBPRGKRZSA-N 1 0 299.484 2.022 10 0 CEAERO CCCc1nc(N2CC[C@H]([NH+]3CCCC3)C2)sc1CO ZINC000110276235 186290017 /nfs/dbraw/zinc/29/00/17/186290017.db2.gz ZIYUWOJEIYKUGV-LBPRGKRZSA-N 1 0 295.452 2.262 10 0 CEAERO c1cc(CN2CC[C@@H]([NH+]3CCCC3)C2)cc2c1NCC2 ZINC000110370952 186294186 /nfs/dbraw/zinc/29/41/86/186294186.db2.gz WTXROUNOEXFHKZ-MRXNPFEDSA-N 1 0 271.408 2.325 10 0 CEAERO C[C@H]1CCC[C@@H](C[NH3+])N1CC(=O)NC1CCCCCC1 ZINC000110480915 186298815 /nfs/dbraw/zinc/29/88/15/186298815.db2.gz RYNSOTOYTJMVLT-ZFWWWQNUSA-N 1 0 281.444 2.027 10 0 CEAERO CC[C@@H]([NH3+])Cc1noc([C@@H]2COc3ccccc3C2)n1 ZINC000110541035 186302561 /nfs/dbraw/zinc/30/25/61/186302561.db2.gz VXQANZJPFOWNOQ-NWDGAFQWSA-N 1 0 273.336 2.068 10 0 CEAERO C[C@H]1CCC[C@H](C)N1C(=O)Cc1ccc(C[NH3+])cc1 ZINC000110611766 186305409 /nfs/dbraw/zinc/30/54/09/186305409.db2.gz BOGZPXUPWYWRAO-STQMWFEESA-N 1 0 260.381 2.477 10 0 CEAERO C[C@@H](NC(=O)Cc1ccc(C[NH3+])cc1)c1ccco1 ZINC000110612107 186305624 /nfs/dbraw/zinc/30/56/24/186305624.db2.gz NAUPEJFGTXEXEK-LLVKDONJSA-N 1 0 258.321 2.158 10 0 CEAERO COc1cc(NCC[N@H+](C)C(C)C)c(N)cc1F ZINC000110627818 186306346 /nfs/dbraw/zinc/30/63/46/186306346.db2.gz LWQYKNJDMXJEAD-UHFFFAOYSA-N 1 0 255.337 2.169 10 0 CEAERO COc1cc(N2CC[C@@H]([NH+]3CCCCC3)C2)c(N)cc1F ZINC000110628026 186306562 /nfs/dbraw/zinc/30/65/62/186306562.db2.gz FJVRSDCFUMAVKI-GFCCVEGCSA-N 1 0 293.386 2.481 10 0 CEAERO COc1cc2c(cc1F)[nH+]c(N)n2Cc1ccco1 ZINC000110629255 186307195 /nfs/dbraw/zinc/30/71/95/186307195.db2.gz DSMCPTWQBRDJIH-UHFFFAOYSA-N 1 0 261.256 2.408 10 0 CEAERO CCOc1cc(N[C@H]2CC[N@@H+](C3CC3)C2)c(N)cc1F ZINC000110634192 186307286 /nfs/dbraw/zinc/30/72/86/186307286.db2.gz DQOGYNSOAKXTED-JTQLQIEISA-N 1 0 279.359 2.455 10 0 CEAERO CCOc1cc(N[C@@H]2CC[N@@H+](C3CC3)C2)c(N)cc1F ZINC000110634189 186308010 /nfs/dbraw/zinc/30/80/10/186308010.db2.gz DQOGYNSOAKXTED-SNVBAGLBSA-N 1 0 279.359 2.455 10 0 CEAERO CCOC(=O)c1cccnc1NCC[C@H]1CCC[NH2+]C1 ZINC000110793798 186325382 /nfs/dbraw/zinc/32/53/82/186325382.db2.gz XOKOTINKDLSXPV-GFCCVEGCSA-N 1 0 277.368 2.060 10 0 CEAERO C[NH2+]Cc1c(Oc2ccccc2CO)nc2ccccn21 ZINC000110994307 186341246 /nfs/dbraw/zinc/34/12/46/186341246.db2.gz OCKIPUSYVUGLML-UHFFFAOYSA-N 1 0 283.331 2.338 10 0 CEAERO CCN[C@@](C)(CCC[N@H+](C)CC1CCCC1)C(=O)OC ZINC000110840795 186328157 /nfs/dbraw/zinc/32/81/57/186328157.db2.gz IZKRSUPYPZHNMU-INIZCTEOSA-N 1 0 284.444 2.430 10 0 CEAERO COC(=O)[C@](C)(C[N@H+](C)CC1CCCC1)NC(C)C ZINC000110841058 186328575 /nfs/dbraw/zinc/32/85/75/186328575.db2.gz YZVUDXKOKVZTRZ-HNNXBMFYSA-N 1 0 270.417 2.038 10 0 CEAERO C[C@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)N(C)CC1CCCC1 ZINC000110848240 186329770 /nfs/dbraw/zinc/32/97/70/186329770.db2.gz ZTFFUJPQGYWIOP-YUTCNCBUSA-N 1 0 252.402 2.399 10 0 CEAERO CN(Cc1cn2cc(Cl)ccc2n1)[C@H]1CCC[NH2+]C1 ZINC000110931008 186333304 /nfs/dbraw/zinc/33/33/04/186333304.db2.gz ABDSFJXNNLFNNU-ZDUSSCGKSA-N 1 0 278.787 2.172 10 0 CEAERO CCn1nc(C)c([C@H](C)N(C)[C@@H]2CCC[NH2+]C2)c1C ZINC000110926324 186333332 /nfs/dbraw/zinc/33/33/32/186333332.db2.gz BJKVMWMKHDKGLK-GXTWGEPZSA-N 1 0 264.417 2.265 10 0 CEAERO CN(Cc1cc(Cl)c2c(c1)OCCO2)[C@H]1CCC[NH2+]C1 ZINC000110930069 186333675 /nfs/dbraw/zinc/33/36/75/186333675.db2.gz DOVHUJYLPWGTDT-LBPRGKRZSA-N 1 0 296.798 2.295 10 0 CEAERO C[C@@H]([NH2+]Cc1[nH]nnc1-c1ccccc1)[C@@H]1CCCO1 ZINC000110924514 186333713 /nfs/dbraw/zinc/33/37/13/186333713.db2.gz HJPSJKYYXRQLKD-RISCZKNCSA-N 1 0 272.352 2.129 10 0 CEAERO CSc1ccccc1NC(=O)CN(C)[C@H]1CCC[NH2+]C1 ZINC000110930932 186333752 /nfs/dbraw/zinc/33/37/52/186333752.db2.gz YQLFOBKADBPYOB-LBPRGKRZSA-N 1 0 293.436 2.031 10 0 CEAERO CCN(Cc1cccc(OC)c1OC)[C@@H]1CCC[NH2+]C1 ZINC000110936116 186334385 /nfs/dbraw/zinc/33/43/85/186334385.db2.gz BNFDNECQBOWSSY-CQSZACIVSA-N 1 0 278.396 2.278 10 0 CEAERO CCN(Cc1ccc(-n2cccn2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000110942591 186334615 /nfs/dbraw/zinc/33/46/15/186334615.db2.gz OSFUNRZWHSILBQ-QGZVFWFLSA-N 1 0 284.407 2.446 10 0 CEAERO CCN(C(=O)c1cccn1C(C)C)[C@H]1CCC[NH2+]C1 ZINC000110940218 186334969 /nfs/dbraw/zinc/33/49/69/186334969.db2.gz XOWMHBQWZWRCHS-ZDUSSCGKSA-N 1 0 263.385 2.283 10 0 CEAERO CCC[N@H+](C1CCC2(CC1)OCCO2)[C@@H]1CCCNC1 ZINC000110938252 186335022 /nfs/dbraw/zinc/33/50/22/186335022.db2.gz SEBVMBPDIPBCKH-OAHLLOKOSA-N 1 0 282.428 2.136 10 0 CEAERO CCN(CCc1scnc1C)[C@@H]1CCC[NH2+]C1 ZINC000110943804 186335961 /nfs/dbraw/zinc/33/59/61/186335961.db2.gz NBUGFPFYIFZVHM-GFCCVEGCSA-N 1 0 253.415 2.068 10 0 CEAERO Cc1ccc([C@H](C)[NH3+])c(OCC(=O)NCC(F)(F)F)c1 ZINC000110958735 186336429 /nfs/dbraw/zinc/33/64/29/186336429.db2.gz ZVYDUHOXCDVFJV-VIFPVBQESA-N 1 0 290.285 2.072 10 0 CEAERO COC[C@@H](C)[NH2+]CCOc1ccccc1SC ZINC000110985756 186339208 /nfs/dbraw/zinc/33/92/08/186339208.db2.gz NHWBXXCDLXOLTF-LLVKDONJSA-N 1 0 255.383 2.412 10 0 CEAERO COCCCN(CCOC)[C@@H](C[NH3+])c1ccc(C)c(F)c1 ZINC000110977544 186339213 /nfs/dbraw/zinc/33/92/13/186339213.db2.gz NGRPNKRCDZTRHT-INIZCTEOSA-N 1 0 298.402 2.119 10 0 CEAERO CC[C@H]1CN(Cc2cc(N)ccc2Cl)CC[N@@H+]1C ZINC000110703462 186314216 /nfs/dbraw/zinc/31/42/16/186314216.db2.gz BDIBPJOUFAAFOQ-ZDUSSCGKSA-N 1 0 267.804 2.448 10 0 CEAERO CC[C@@H]1C[N@@H+]([C@@H](CC(N)=S)c2ccccc2)CCN1C ZINC000110719992 186315227 /nfs/dbraw/zinc/31/52/27/186315227.db2.gz UFFVTNJQYBSOEI-CABCVRRESA-N 1 0 291.464 2.430 10 0 CEAERO Cc1cccc([C@H](SCCS(C)(=O)=O)[C@H](C)[NH3+])c1 ZINC000111004432 186341000 /nfs/dbraw/zinc/34/10/00/186341000.db2.gz RZSQIFYADYWVIS-WCQYABFASA-N 1 0 287.450 2.161 10 0 CEAERO CC[N@@H+]1CCN(C2N=NC(=S)N2C2CCCC2)C[C@@H]1C ZINC000110732164 186317380 /nfs/dbraw/zinc/31/73/80/186317380.db2.gz WXHGQCYNETZJJW-NSHDSACASA-N 1 0 295.456 2.212 10 0 CEAERO C[C@@H]1CCC(=O)[C@H](C[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC000110744123 186318453 /nfs/dbraw/zinc/31/84/53/186318453.db2.gz MICCIVTXSXIZMG-OLZOCXBDSA-N 1 0 252.402 2.018 10 0 CEAERO C[N@@H+]1CCN(C(=O)c2ccc3c(c2)CCCN3)CC1(C)C ZINC000110742532 186318546 /nfs/dbraw/zinc/31/85/46/186318546.db2.gz TYNUXSLYPWKMGK-UHFFFAOYSA-N 1 0 287.407 2.211 10 0 CEAERO CC[C@@H]1CN(CCNc2ccc(F)cc2)CC[N@@H+]1C ZINC000110757547 186320153 /nfs/dbraw/zinc/32/01/53/186320153.db2.gz WENDORZBVIKKNW-OAHLLOKOSA-N 1 0 265.376 2.264 10 0 CEAERO Cc1ccccc1[C@H](O)CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000110748210 186320549 /nfs/dbraw/zinc/32/05/49/186320549.db2.gz DEZJVPBPQUCZHY-MRXNPFEDSA-N 1 0 276.424 2.445 10 0 CEAERO CC[N@@H+]1CCN(C(=O)c2cccc3c2CCCN3)C[C@H]1C ZINC000110759853 186323625 /nfs/dbraw/zinc/32/36/25/186323625.db2.gz KYYKKFNMZBUORK-CYBMUJFWSA-N 1 0 287.407 2.211 10 0 CEAERO CC[C@@H]1CN(C(=O)c2cccc3c2NCCC3)CC[N@@H+]1C ZINC000110759892 186323801 /nfs/dbraw/zinc/32/38/01/186323801.db2.gz AWBZZCWQIDIDDB-CQSZACIVSA-N 1 0 287.407 2.211 10 0 CEAERO CCOC(CC[N@@H+]1C[C@@H](C)OC[C@@H]1CC)OCC ZINC000110785169 186324205 /nfs/dbraw/zinc/32/42/05/186324205.db2.gz FWWCMPFKHQBLKW-OLZOCXBDSA-N 1 0 259.390 2.275 10 0 CEAERO Nc1cccc(Cl)c1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000111009585 186342213 /nfs/dbraw/zinc/34/22/13/186342213.db2.gz PLESYFWFMSESIF-JTQLQIEISA-N 1 0 293.798 2.136 10 0 CEAERO C[N@@H+](Cc1c(N)cccc1F)CC1CCOCC1 ZINC000111155490 186361751 /nfs/dbraw/zinc/36/17/51/186361751.db2.gz KDPDIYYKXIRTKZ-UHFFFAOYSA-N 1 0 252.333 2.266 10 0 CEAERO CCCOCCO[C@H](c1ccncc1)[C@@H]([NH3+])CC ZINC000111105462 186352283 /nfs/dbraw/zinc/35/22/83/186352283.db2.gz NZBDDJOTFSILFV-UONOGXRCSA-N 1 0 252.358 2.303 10 0 CEAERO CCCOCCO[C@H]1CCc2cc(OC)ccc2[C@H]1[NH3+] ZINC000111107333 186352558 /nfs/dbraw/zinc/35/25/58/186352558.db2.gz MHKYYMZSHUYPKX-JKSUJKDBSA-N 1 0 279.380 2.453 10 0 CEAERO CCOCCN(CC)[C@H](C[NH3+])c1cccc(C)c1 ZINC000111116603 186353356 /nfs/dbraw/zinc/35/33/56/186353356.db2.gz RIJZIYZJCXFNKP-OAHLLOKOSA-N 1 0 250.386 2.353 10 0 CEAERO COC(C[NH2+]C1CCC(C(F)(F)F)CC1)OC ZINC000111112521 186354174 /nfs/dbraw/zinc/35/41/74/186354174.db2.gz UZTKZHZAHPVSLA-UHFFFAOYSA-N 1 0 255.280 2.316 10 0 CEAERO CCOCCN(CC)[C@@H](C[NH3+])c1ccccc1OCC ZINC000111117805 186355359 /nfs/dbraw/zinc/35/53/59/186355359.db2.gz UYDDKAJPXVAIRK-HNNXBMFYSA-N 1 0 280.412 2.444 10 0 CEAERO CCOCCN(CC)[C@H](C[NH3+])c1cc(OC)ccc1OC ZINC000111117575 186355665 /nfs/dbraw/zinc/35/56/65/186355665.db2.gz UELCBJSYZQJHPD-OAHLLOKOSA-N 1 0 296.411 2.062 10 0 CEAERO CCOCC[N@H+](CC)[C@@H]1CCc2cc(OC)ccc2[C@@H]1N ZINC000111118581 186355707 /nfs/dbraw/zinc/35/57/07/186355707.db2.gz IPBOWTHKZPWZNK-SJORKVTESA-N 1 0 292.423 2.368 10 0 CEAERO CCOCCN(CC)C[C@H]([NH3+])c1cc(C)ccc1OC ZINC000111118048 186355748 /nfs/dbraw/zinc/35/57/48/186355748.db2.gz FHWQKPFTZKDNEN-HNNXBMFYSA-N 1 0 280.412 2.362 10 0 CEAERO CCOCCN(CC)C(=O)[C@H]1CCC[C@H](CC[NH3+])C1 ZINC000111127169 186355943 /nfs/dbraw/zinc/35/59/43/186355943.db2.gz SGVUXZOQAYTYLU-KGLIPLIRSA-N 1 0 270.417 2.027 10 0 CEAERO C[NH2+][C@@H](CN(C)CC1CCOCC1)c1cccc(OC)c1 ZINC000111161952 186363876 /nfs/dbraw/zinc/36/38/76/186363876.db2.gz XQHLPXDHIIAKBW-KRWDZBQOSA-N 1 0 292.423 2.314 10 0 CEAERO C[N@H+](CC1CCOCC1)[C@@H]1CCc2ccccc2[C@@H]1N ZINC000111162101 186363915 /nfs/dbraw/zinc/36/39/15/186363915.db2.gz SDHPUMXSORDLKT-SJORKVTESA-N 1 0 274.408 2.360 10 0 CEAERO COc1ccc([C@H](N)[C@H](C)[N@H+](C)CC2CCOCC2)cc1 ZINC000111161931 186364209 /nfs/dbraw/zinc/36/42/09/186364209.db2.gz DOBSNUSUWZFLEX-SUMWQHHRSA-N 1 0 292.423 2.442 10 0 CEAERO Nc1c([C@@H]2CCCOC2)[nH+]c2ccc(Cl)cn12 ZINC000111319199 186395463 /nfs/dbraw/zinc/39/54/63/186395463.db2.gz PDHKAFYCPXHIHD-MRVPVSSYSA-N 1 0 251.717 2.464 10 0 CEAERO CN(C)c1nnc(S[C@H](C[NH3+])c2cccs2)s1 ZINC000111315625 186396398 /nfs/dbraw/zinc/39/63/98/186396398.db2.gz SDIHERJROLTSKH-MRVPVSSYSA-N 1 0 286.451 2.458 10 0 CEAERO COc1ccc(CN(C)C[C@@]2(C[NH3+])CCCOC2)cc1F ZINC000111323329 186397450 /nfs/dbraw/zinc/39/74/50/186397450.db2.gz DTIBRRYZXGSKML-INIZCTEOSA-N 1 0 296.386 2.022 10 0 CEAERO CC(C)C[NH2+]C[C@@]1(CN2CCSCC2)CCCOC1 ZINC000111324529 186398476 /nfs/dbraw/zinc/39/84/76/186398476.db2.gz MNTJFDTTYCNIPX-OAHLLOKOSA-N 1 0 286.485 2.078 10 0 CEAERO CC[NH2+]C[C@]1(CN2Cc3ccccc3C2)CCCOC1 ZINC000111325990 186398555 /nfs/dbraw/zinc/39/85/55/186398555.db2.gz XGNLHSIBTJPFIK-KRWDZBQOSA-N 1 0 274.408 2.409 10 0 CEAERO CC[NH2+]C[C@@]1(CN(C)Cc2ccc(C)o2)CCCOC1 ZINC000111325109 186398717 /nfs/dbraw/zinc/39/87/17/186398717.db2.gz BOPQOILSBCBTCE-MRXNPFEDSA-N 1 0 280.412 2.426 10 0 CEAERO CCCOCc1noc([C@H](CC)[C@@H](C)[NH2+]CC)n1 ZINC000111234915 186372916 /nfs/dbraw/zinc/37/29/16/186372916.db2.gz HSULCUCQWWHHID-GHMZBOCLSA-N 1 0 255.362 2.488 10 0 CEAERO CC[C@@H]1CCCCN1C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111243556 186374863 /nfs/dbraw/zinc/37/48/63/186374863.db2.gz JLZVPYYRDMYPAW-PWSUYJOCSA-N 1 0 278.318 2.320 10 0 CEAERO C[C@H](NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)c1ccsc1 ZINC000111247094 186376277 /nfs/dbraw/zinc/37/62/77/186376277.db2.gz RPNUHXKXUUCTQZ-KWQFWETISA-N 1 0 292.326 2.467 10 0 CEAERO CSc1cccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000111262749 186380321 /nfs/dbraw/zinc/38/03/21/186380321.db2.gz XIUGEOPTHQBGHG-BXKDBHETSA-N 1 0 250.367 2.203 10 0 CEAERO Cc1nc(-c2ccc(NC(=O)[C@@H]3C[NH2+]C[C@H]3C)cc2)co1 ZINC000111265773 186381414 /nfs/dbraw/zinc/38/14/14/186381414.db2.gz ONSCVXHDFXDTSI-QMTHXVAHSA-N 1 0 285.347 2.444 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)N(Cc1ccccc1)C1CC1 ZINC000111264079 186381634 /nfs/dbraw/zinc/38/16/34/186381634.db2.gz PVAOKIODJQKYKP-SWLSCSKDSA-N 1 0 258.365 2.033 10 0 CEAERO CCOc1cc(F)ccc1NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000111266874 186382740 /nfs/dbraw/zinc/38/27/40/186382740.db2.gz YEPKMLPPWVEROV-MWLCHTKSSA-N 1 0 266.316 2.018 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(-c2cnco2)cc1 ZINC000111267510 186382931 /nfs/dbraw/zinc/38/29/31/186382931.db2.gz UBGQQKWPTIWUOD-GXFFZTMASA-N 1 0 271.320 2.136 10 0 CEAERO CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1C)[C@@H](C)c1cccc(O)c1 ZINC000111269976 186383750 /nfs/dbraw/zinc/38/37/50/186383750.db2.gz CNJWQYCYPLZBAI-HUBLWGQQSA-N 1 0 276.380 2.157 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N(Cc1cccs1)C1CC1 ZINC000111268646 186384121 /nfs/dbraw/zinc/38/41/21/186384121.db2.gz WPYFPKGHFNJWJF-MFKMUULPSA-N 1 0 264.394 2.095 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)N(C)CCCCc1ccccc1 ZINC000111269227 186384592 /nfs/dbraw/zinc/38/45/92/186384592.db2.gz ODPYVHQGHWIHEP-HOCLYGCPSA-N 1 0 274.408 2.323 10 0 CEAERO CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1C)c1ccc(F)cc1 ZINC000111272246 186385178 /nfs/dbraw/zinc/38/51/78/186385178.db2.gz BIXITSWDNWWOHD-GWCFXTLKSA-N 1 0 250.317 2.034 10 0 CEAERO [NH3+]Cc1ccc(C(=O)N2CCC[C@@H]2C2CCCC2)nc1 ZINC000111282168 186388033 /nfs/dbraw/zinc/38/80/33/186388033.db2.gz QCCKZUXCISNSDU-OAHLLOKOSA-N 1 0 273.380 2.335 10 0 CEAERO C[C@@H](NC(=O)c1ccc(C[NH3+])cn1)c1ccc(F)cc1 ZINC000111281839 186388118 /nfs/dbraw/zinc/38/81/18/186388118.db2.gz XIWFMLCNGRHMIM-SNVBAGLBSA-N 1 0 273.311 2.170 10 0 CEAERO CCc1ccc(NC(=O)c2ccc(C[NH3+])cn2)cc1 ZINC000111281122 186388222 /nfs/dbraw/zinc/38/82/22/186388222.db2.gz WKFFOTZAAVZXFH-UHFFFAOYSA-N 1 0 255.321 2.355 10 0 CEAERO Cc1ccnc2[nH]c([C@@H](C[NH3+])c3ccccc3)nc21 ZINC000111280092 186388945 /nfs/dbraw/zinc/38/89/45/186388945.db2.gz ODLHPYCPZFBNSZ-LBPRGKRZSA-N 1 0 252.321 2.357 10 0 CEAERO [NH3+][C@H]1CC[C@@H]2CN(C(=O)c3ccc4cc[nH]c4c3)C[C@@H]2C1 ZINC000111288877 186390916 /nfs/dbraw/zinc/39/09/16/186390916.db2.gz BIWIPCPNPIYFAP-ILXRZTDVSA-N 1 0 283.375 2.367 10 0 CEAERO Cc1nc(Cl)c(C)c(N[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000111296780 186392876 /nfs/dbraw/zinc/39/28/76/186392876.db2.gz HLLBFVZJFMFLEL-SNVBAGLBSA-N 1 0 254.765 2.253 10 0 CEAERO CC[NH2+][C@H](Cc1ncc[nH]1)c1ccc2c(c1)COC2 ZINC000111305762 186393572 /nfs/dbraw/zinc/39/35/72/186393572.db2.gz XHDVHWYJFRQGPD-CQSZACIVSA-N 1 0 257.337 2.333 10 0 CEAERO CC[C@@H]([NH3+])CNC(=O)[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000111303705 186393839 /nfs/dbraw/zinc/39/38/39/186393839.db2.gz JPSLHKSCWFFJHT-RBSFLKMASA-N 1 0 276.380 2.008 10 0 CEAERO Cc1nn(C)c(N(Cc2ccsc2)C2CC2)c1CC[NH3+] ZINC000111484410 186422499 /nfs/dbraw/zinc/42/24/99/186422499.db2.gz ZAHIYRVVICJMAW-UHFFFAOYSA-N 1 0 290.436 2.460 10 0 CEAERO CC[C@@H]([NH3+])Cc1c(-n2cc(Cl)cn2)nc2ccccn21 ZINC000111514191 186425709 /nfs/dbraw/zinc/42/57/09/186425709.db2.gz MFUJAVXCHLZVSV-LLVKDONJSA-N 1 0 289.770 2.453 10 0 CEAERO Cc1nnc(Sc2c(F)cc(CC[NH3+])cc2F)n1C ZINC000111587542 186430205 /nfs/dbraw/zinc/43/02/05/186430205.db2.gz UWPXADUKCOHUTF-UHFFFAOYSA-N 1 0 284.335 2.054 10 0 CEAERO CC[NH2+][C@@H](Cc1nc(-c2cc(C)ccn2)no1)C1CC1 ZINC000111682824 186441405 /nfs/dbraw/zinc/44/14/05/186441405.db2.gz OXFQHOSPCDPGSD-LBPRGKRZSA-N 1 0 272.352 2.371 10 0 CEAERO 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O=C(NC[C@@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1F ZINC000131843904 187591246 /nfs/dbraw/zinc/59/12/46/187591246.db2.gz VKRCKLSUEOAKKJ-MRVPVSSYSA-N 1 0 290.260 2.184 10 0 CEAERO Cc1cc2nc(C)cc(NCC[C@H]3CCC[N@H+]3C)n2n1 ZINC000072434926 363135785 /nfs/dbraw/zinc/13/57/85/363135785.db2.gz ARCZICIDNUTEJF-CYBMUJFWSA-N 1 0 273.384 2.242 10 0 CEAERO CC(C)c1ccc([C@H]2C[C@H]2C(=O)NC[C@H](C)[NH3+])cc1 ZINC000249089661 539844929 /nfs/dbraw/zinc/84/49/29/539844929.db2.gz KALHGTVHYGJINZ-NILFDRSVSA-N 1 0 260.381 2.377 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CC1(Cl)Cl ZINC000253548409 539849708 /nfs/dbraw/zinc/84/97/08/539849708.db2.gz HONFTUUCSSMVCW-VWYCJHECSA-N 1 0 291.222 2.265 10 0 CEAERO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000094647835 539883677 /nfs/dbraw/zinc/88/36/77/539883677.db2.gz GKHKNLAQLISDBI-UWVGGRQHSA-N 1 0 266.307 2.175 10 0 CEAERO Cc1ncc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)s1 ZINC000152207019 539875163 /nfs/dbraw/zinc/87/51/63/539875163.db2.gz KFGSEFKJSUBPPD-ZDUSSCGKSA-N 1 0 275.377 2.500 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000253193914 539925237 /nfs/dbraw/zinc/92/52/37/539925237.db2.gz PHBXIVGITNREGF-LRDDRELGSA-N 1 0 278.371 2.123 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1CN1CCCc2ccccc21 ZINC000090566047 535191665 /nfs/dbraw/zinc/19/16/65/535191665.db2.gz RJDHUICTBUPIAX-CVEARBPZSA-N 1 0 274.408 2.454 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCOc2ccccc21 ZINC000250844289 539969234 /nfs/dbraw/zinc/96/92/34/539969234.db2.gz HSCQCVVTPYBRGX-OBJOEFQTSA-N 1 0 274.364 2.001 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCc2ccccc2C1 ZINC000250859540 539969279 /nfs/dbraw/zinc/96/92/79/539969279.db2.gz RQOQCNWVWQWREB-JYJNAYRXSA-N 1 0 272.392 2.035 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@@H]2CC[NH2+][C@H]2C)cc1F ZINC000251156173 539972493 /nfs/dbraw/zinc/97/24/93/539972493.db2.gz NTFCYJKTWDOWBE-GMXVVIOVSA-N 1 0 264.344 2.309 10 0 CEAERO Cc1cc([C@@H]2CCCN2C(=O)[C@H]2CCC[C@H]2C[NH3+])on1 ZINC000250959055 539970597 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C[C@H](C(=O)N1CC[C@H]([NH+](C)C)C1)c1cccs1 ZINC000158683930 188389059 /nfs/dbraw/zinc/38/90/59/188389059.db2.gz WTLIRBNKHRZNSO-QWRGUYRKSA-N 1 0 252.383 2.014 10 0 CEAERO O[C@@H]1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1C[C@H]1CCCOC1 ZINC000337279114 366121594 /nfs/dbraw/zinc/12/15/94/366121594.db2.gz GLNBOGPNFAFTDT-LVQVYYBASA-N 1 0 267.413 2.429 10 0 CEAERO O[C@@H]1CCCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccon1 ZINC000337307833 366136808 /nfs/dbraw/zinc/13/68/08/366136808.db2.gz UTVLBJQUUFHMGI-MELADBBJSA-N 1 0 250.342 2.190 10 0 CEAERO C[C@@]1(C(=O)Nc2ccc3c[nH]nc3c2)CCCC[NH2+]1 ZINC000133177266 366202736 /nfs/dbraw/zinc/20/27/36/366202736.db2.gz XAURZQFSTOTEIG-AWEZNQCLSA-N 1 0 258.325 2.034 10 0 CEAERO Fc1ccccc1-c1csc(N[C@@H]2CC[NH2+]C2)n1 ZINC000334978851 283028060 /nfs/dbraw/zinc/02/80/60/283028060.db2.gz BVDCEMCGESFWSG-SECBINFHSA-N 1 0 263.341 2.145 10 0 CEAERO CSc1ccccc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170861498 188698793 /nfs/dbraw/zinc/69/87/93/188698793.db2.gz SSGFIVBARPEBLS-NSHDSACASA-N 1 0 264.394 2.185 10 0 CEAERO CCCN(CC[NH+](CC)CC)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000133461015 366226710 /nfs/dbraw/zinc/22/67/10/366226710.db2.gz CMORWKDXNCDSOT-LSDHHAIUSA-N 1 0 299.459 2.317 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)N1CCC2(CC2(F)F)CC1 ZINC000405097417 540132275 /nfs/dbraw/zinc/13/22/75/540132275.db2.gz FLJQUPFWXBKCDI-NSHDSACASA-N 1 0 272.339 2.024 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H]2CCC23CCCC3)C1 ZINC000682731884 540148646 /nfs/dbraw/zinc/14/86/46/540148646.db2.gz DCNRJBZNYRSVCV-ZIAGYGMSSA-N 1 0 252.402 2.020 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCCOC1CCCCCC1 ZINC000261624348 540149371 /nfs/dbraw/zinc/14/93/71/540149371.db2.gz BEFDNDNSOUWAJW-UKRRQHHQSA-N 1 0 282.428 2.217 10 0 CEAERO [NH3+]C1CCC(C(=O)N[C@@H]2CCc3ccccc32)CC1 ZINC000037626568 540155654 /nfs/dbraw/zinc/15/56/54/540155654.db2.gz FGHRKXMOUWRSIC-SSDMNJCBSA-N 1 0 258.365 2.308 10 0 CEAERO C[C@@H](NC(=O)C[C@@H]1CCC[NH2+]C1)c1cccs1 ZINC000054306086 540207913 /nfs/dbraw/zinc/20/79/13/540207913.db2.gz HRKCKEPWSCDMFF-MNOVXSKESA-N 1 0 252.383 2.315 10 0 CEAERO CCCCOC[C@H](O)C[N@H+](CC)Cc1ccoc1 ZINC000683993962 540214195 /nfs/dbraw/zinc/21/41/95/540214195.db2.gz WFMQILHMEMJUFV-CQSZACIVSA-N 1 0 255.358 2.279 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@@]2(CC1)[NH2+]CCS2 ZINC000575572457 366296228 /nfs/dbraw/zinc/29/62/28/366296228.db2.gz VULFDIKRFFNVSB-CYBMUJFWSA-N 1 0 272.414 2.440 10 0 CEAERO C[C@H]1C[C@H]1NC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000076076570 363518118 /nfs/dbraw/zinc/51/81/18/363518118.db2.gz LNGRLTOCXVBYSJ-RFQIPJPRSA-N 1 0 281.444 2.451 10 0 CEAERO Cc1ccc([C@H](CNC(=O)N[C@@H]2C[C@@H]2C)[NH+](C)C)cc1 ZINC000076077897 363518366 /nfs/dbraw/zinc/51/83/66/363518366.db2.gz RKTAYGHSYAXDQI-CFVMTHIKSA-N 1 0 275.396 2.305 10 0 CEAERO CCCNC(=O)C[N@H+](C)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000121183160 283365230 /nfs/dbraw/zinc/36/52/30/283365230.db2.gz VJYYQSHGCGIRPZ-KBPBESRZSA-N 1 0 282.428 2.182 10 0 CEAERO C[C@]1(C(=O)N(Cc2cccc(F)c2)C2CC2)CCC[NH2+]1 ZINC000079517125 363612919 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CCc1nccn1[C@@H]1CCC[N@H+](CCCn2ccnc2)C1 ZINC000182761436 189333648 /nfs/dbraw/zinc/33/36/48/189333648.db2.gz UAYRVRJTUDFDKJ-OAHLLOKOSA-N 1 0 287.411 2.369 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Cl)nc1 ZINC000083550269 363778574 /nfs/dbraw/zinc/77/85/74/363778574.db2.gz BJVCRCNVOZVOCJ-ZYHUDNBSSA-N 1 0 279.771 2.044 10 0 CEAERO C[NH+](C)C[C@@H](NCc1ccc(CO)o1)c1ccccc1 ZINC000083924171 363792058 /nfs/dbraw/zinc/79/20/58/363792058.db2.gz SPELVJHCVAWTBF-MRXNPFEDSA-N 1 0 274.364 2.164 10 0 CEAERO CC[C@](C)(O)C[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000154523802 366777621 /nfs/dbraw/zinc/77/76/21/366777621.db2.gz KVCITUMBYWEKPY-WFASDCNBSA-N 1 0 274.368 2.079 10 0 CEAERO O=C(CCc1ccc(O)cc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000183502984 189360725 /nfs/dbraw/zinc/36/07/25/189360725.db2.gz PXRIOZJPDGOJRF-HNNXBMFYSA-N 1 0 288.391 2.022 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(OC)c(O)c1 ZINC000184055462 189374934 /nfs/dbraw/zinc/37/49/34/189374934.db2.gz VSPGJOPTPCVLGK-LSDHHAIUSA-N 1 0 290.407 2.459 10 0 CEAERO CC(C)[NH2+]C[C@H](O)COc1ccc(COCC2CC2)cc1 ZINC000025969167 361634139 /nfs/dbraw/zinc/63/41/39/361634139.db2.gz UOKWVICUCYNXFO-INIZCTEOSA-N 1 0 293.407 2.351 10 0 CEAERO COc1cc(N[C@@H](C)CCC[NH3+])c2[nH]cccc-2c1=O ZINC000027330662 361649881 /nfs/dbraw/zinc/64/98/81/361649881.db2.gz DCIFAKQLYKKQAG-JTQLQIEISA-N 1 0 275.352 2.488 10 0 CEAERO COc1ccc([C@@H](O)[C@H]([NH3+])CC(C)C)cc1OC ZINC000032108012 361727501 /nfs/dbraw/zinc/72/75/01/361727501.db2.gz IWSNJCVWVLFEPB-BXUZGUMPSA-N 1 0 253.342 2.111 10 0 CEAERO CCCc1nsc(N(CCC)[C@@H]2CC[NH2+]C2)n1 ZINC000087642666 363865415 /nfs/dbraw/zinc/86/54/15/363865415.db2.gz YWSSKQNYPGOKFU-SNVBAGLBSA-N 1 0 254.403 2.069 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)N1CCC(C(F)(F)F)CC1 ZINC000088420907 363895309 /nfs/dbraw/zinc/89/53/09/363895309.db2.gz VKQIFKOVTYILHN-SNVBAGLBSA-N 1 0 278.318 2.177 10 0 CEAERO CCN1CCC[C@H]([NH2+]Cc2cccc(COC)c2)C1 ZINC000088553591 363906316 /nfs/dbraw/zinc/90/63/16/363906316.db2.gz CHKZOFLRHNCQMH-INIZCTEOSA-N 1 0 262.397 2.407 10 0 CEAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1cccc2cccnc21 ZINC000089161742 363942671 /nfs/dbraw/zinc/94/26/71/363942671.db2.gz QGPAHXFJLCDBMR-UKRRQHHQSA-N 1 0 256.349 2.485 10 0 CEAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cccc2cc[nH]c21 ZINC000088733412 363917875 /nfs/dbraw/zinc/91/78/75/363917875.db2.gz IWKFKJYXGQSNAL-GFCCVEGCSA-N 1 0 271.364 2.192 10 0 CEAERO CC(C)Oc1cncc(N[C@H]2CCCC[C@H]2C[NH3+])n1 ZINC000089108464 363932190 /nfs/dbraw/zinc/93/21/90/363932190.db2.gz ULPGNYXNVZYLKX-RYUDHWBXSA-N 1 0 264.373 2.193 10 0 CEAERO C[C@@H]1CN(C(=O)c2ccc3[nH]ccc3c2)C[C@@H]1[NH+](C)C ZINC000089710266 363995043 /nfs/dbraw/zinc/99/50/43/363995043.db2.gz AAKVQUIOBJTCSA-ABAIWWIYSA-N 1 0 271.364 2.190 10 0 CEAERO CN(C)C[C@H]([NH2+]Cc1ccn(C)c1)c1ccccc1 ZINC000091007233 364070069 /nfs/dbraw/zinc/07/00/69/364070069.db2.gz PHHKWLMJFNHBEF-INIZCTEOSA-N 1 0 257.381 2.418 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(Cl)nc1 ZINC000092627407 364090577 /nfs/dbraw/zinc/09/05/77/364090577.db2.gz RRJMRJPSJMAURC-LBPRGKRZSA-N 1 0 281.787 2.291 10 0 CEAERO c1ccc2c(c1)C[C@@H]2C[NH+]1CCC2(CC1)OCCO2 ZINC000092702795 364098054 /nfs/dbraw/zinc/09/80/54/364098054.db2.gz OETHJTBDUXRTPE-CQSZACIVSA-N 1 0 259.349 2.165 10 0 CEAERO CCn1cc(C[NH+]2CCC(c3ccnn3C)CC2)cn1 ZINC000092810309 364110517 /nfs/dbraw/zinc/11/05/17/364110517.db2.gz XTQGUYYKHLLWSB-UHFFFAOYSA-N 1 0 273.384 2.016 10 0 CEAERO [NH3+][C@H]1CCC[C@@H](C(=O)N2CCCC3(CC3)CC2)C1 ZINC000638755521 370726572 /nfs/dbraw/zinc/72/65/72/370726572.db2.gz CFBGYANMLBVLMU-OLZOCXBDSA-N 1 0 250.386 2.297 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)N1CCCC2(CC2)CC1 ZINC000638755724 370726845 /nfs/dbraw/zinc/72/68/45/370726845.db2.gz FSWOAASTAWALDI-OLZOCXBDSA-N 1 0 250.386 2.154 10 0 CEAERO O=C([C@@H]1C[NH2+]C[C@H]1C(F)(F)F)N1CCCC2(CC2)CC1 ZINC000638756177 370727689 /nfs/dbraw/zinc/72/76/89/370727689.db2.gz JNLOKMBBUOXMDU-GHMZBOCLSA-N 1 0 290.329 2.177 10 0 CEAERO C[C@]12CCCC[C@H]1CN2C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000638758145 370729484 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364332274 /nfs/dbraw/zinc/33/22/74/364332274.db2.gz QDBBYYBANVQLMT-MNOVXSKESA-N 1 0 284.201 2.204 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1Cc1ccc(Br)nc1 ZINC000095072450 364332364 /nfs/dbraw/zinc/33/23/64/364332364.db2.gz BLSYCEJDSRYZLK-NSHDSACASA-N 1 0 284.201 2.157 10 0 CEAERO COC(=O)CC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000095076159 364333272 /nfs/dbraw/zinc/33/32/72/364333272.db2.gz XTZMGHKOJFYVIA-CQSZACIVSA-N 1 0 275.348 2.031 10 0 CEAERO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N(C)C)cc1F ZINC000094836948 364302284 /nfs/dbraw/zinc/30/22/84/364302284.db2.gz MCZDKUNFPHYGDM-WDEREUQCSA-N 1 0 252.333 2.261 10 0 CEAERO CC(C)OC[C@@H](O)C[N@@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000100481711 364546685 /nfs/dbraw/zinc/54/66/85/364546685.db2.gz SXOMCMACBUEOQL-SOUVJXGZSA-N 1 0 255.402 2.427 10 0 CEAERO CC[N@H+](CCNC(=O)N[C@@H](C)c1ccc(C)o1)C1CC1 ZINC000101976037 364581789 /nfs/dbraw/zinc/58/17/89/364581789.db2.gz MRTSUDOCCLIRRS-LBPRGKRZSA-N 1 0 279.384 2.433 10 0 CEAERO c1cc(C2CC[NH+](CCc3ccccn3)CC2)n[nH]1 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C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc(C(C)(C)C)no1 ZINC000113269788 364881854 /nfs/dbraw/zinc/88/18/54/364881854.db2.gz GRYAJAXCJHVINF-VXGBXAGGSA-N 1 0 278.400 2.036 10 0 CEAERO COC(=O)c1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)oc1C ZINC000113268884 364882257 /nfs/dbraw/zinc/88/22/57/364882257.db2.gz HCPWAYPHZUQFBH-AAEUAGOBSA-N 1 0 292.379 2.043 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1noc(-c2ccccc2)n1 ZINC000113518360 364903144 /nfs/dbraw/zinc/90/31/44/364903144.db2.gz URYYPWVHJLMRQD-UKRRQHHQSA-N 1 0 298.390 2.405 10 0 CEAERO COc1cc(C)ccc1NC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000335593182 212306464 /nfs/dbraw/zinc/30/64/64/212306464.db2.gz YEIOFRFXTNFZDI-RYUDHWBXSA-N 1 0 262.353 2.330 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1ccc2sccc2c1 ZINC000335596339 212308136 /nfs/dbraw/zinc/30/81/36/212308136.db2.gz MLTWQBMDFNOLQI-JOYOIKCWSA-N 1 0 260.362 2.463 10 0 CEAERO O=C(CC[N@@H+]1CCCC[C@H]1c1cn[nH]c1)NC1CCCC1 ZINC000114484487 364948520 /nfs/dbraw/zinc/94/85/20/364948520.db2.gz PGEVKTQQPLLVFA-HNNXBMFYSA-N 1 0 290.411 2.386 10 0 CEAERO COc1cccc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000116407925 365054291 /nfs/dbraw/zinc/05/42/91/365054291.db2.gz FALKYRSHQWVSSK-AWEZNQCLSA-N 1 0 271.364 2.418 10 0 CEAERO COCCCCC[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116408294 365055618 /nfs/dbraw/zinc/05/56/18/365055618.db2.gz KYTGWQRTPSOIEL-ZDUSSCGKSA-N 1 0 251.374 2.026 10 0 CEAERO C[C@]1(C(=O)N2CCO[C@@H](c3ccccc3)C2)CCCC[NH2+]1 ZINC000119070898 365211660 /nfs/dbraw/zinc/21/16/60/365211660.db2.gz LHPMWHMORAXNNU-NVXWUHKLSA-N 1 0 288.391 2.119 10 0 CEAERO CCCCO[C@@H](C)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000119502889 365282630 /nfs/dbraw/zinc/28/26/30/365282630.db2.gz DACKYTMCYHNXLM-LSDHHAIUSA-N 1 0 284.444 2.428 10 0 CEAERO CCOCC[N@@H+]1CCN(Cc2csc(C)n2)C[C@@H]1CC ZINC000120709829 365463837 /nfs/dbraw/zinc/46/38/37/365463837.db2.gz IYMOHCJCADNLJW-HNNXBMFYSA-N 1 0 297.468 2.384 10 0 CEAERO CCc1ccc(CN2CC[N@H+](C[C@@H](C)O)[C@H](CC)C2)o1 ZINC000120719177 365465845 /nfs/dbraw/zinc/46/58/45/365465845.db2.gz UWVDNLCLKBILAT-ZIAGYGMSSA-N 1 0 280.412 2.119 10 0 CEAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000120455900 365426725 /nfs/dbraw/zinc/42/67/25/365426725.db2.gz MJPYFLBBGNXHAQ-HUBLWGQQSA-N 1 0 294.420 2.286 10 0 CEAERO Cc1cccc(CN2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c1C ZINC000120611566 365451141 /nfs/dbraw/zinc/45/11/41/365451141.db2.gz YZWFFBWRMPTIMC-HUUCEWRRSA-N 1 0 276.424 2.190 10 0 CEAERO Cc1cc(F)ccc1CN1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000120628595 365452710 /nfs/dbraw/zinc/45/27/10/365452710.db2.gz BTKXFLLTVWLNJN-ZIAGYGMSSA-N 1 0 280.387 2.021 10 0 CEAERO COCCCCC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000120850898 365483636 /nfs/dbraw/zinc/48/36/36/365483636.db2.gz RDHSCBSHKVZKRH-OAHLLOKOSA-N 1 0 278.396 2.222 10 0 CEAERO OC1(CC[N@@H+]2CCOC3(C2)CCCCCC3)CC1 ZINC000336171137 365507901 /nfs/dbraw/zinc/50/79/01/365507901.db2.gz ILWQFUCCVVNCKC-UHFFFAOYSA-N 1 0 253.386 2.327 10 0 CEAERO C[C@@H]([NH3+])C[C@H](C)Nc1ccncc1Br ZINC000160032309 366966898 /nfs/dbraw/zinc/96/68/98/366966898.db2.gz DREKJORIAFYMOH-SFYZADRCSA-N 1 0 258.163 2.382 10 0 CEAERO CCC[C@H](C(=O)NCCCOc1ccc(F)cc1)[NH+](C)C ZINC000161832005 367115978 /nfs/dbraw/zinc/11/59/78/367115978.db2.gz KVYYWAWOUQINOC-OAHLLOKOSA-N 1 0 296.386 2.441 10 0 CEAERO CCC[C@H](C(=O)NCCc1csc(CC)n1)[NH+](C)C ZINC000161938106 367122994 /nfs/dbraw/zinc/12/29/94/367122994.db2.gz RNDNPBZWXMERNK-GFCCVEGCSA-N 1 0 283.441 2.095 10 0 CEAERO CC(C)[C@H]([NH3+])CCN(C)c1ccnc2cccnc21 ZINC000341013883 367132380 /nfs/dbraw/zinc/13/23/80/367132380.db2.gz KIZVZOCATYCASC-GFCCVEGCSA-N 1 0 258.369 2.439 10 0 CEAERO Cc1cnn(CC[NH2+]Cc2cc(F)cc(F)c2)c1 ZINC000162042682 367132696 /nfs/dbraw/zinc/13/26/96/367132696.db2.gz TXWCTTNYCGIRRI-UHFFFAOYSA-N 1 0 251.280 2.260 10 0 CEAERO NC(=O)c1ccc([C@@H]2CCC[C@H]([NH3+])C2)c2cc[nH]c21 ZINC000584619598 367174007 /nfs/dbraw/zinc/17/40/07/367174007.db2.gz UWIVHIOLGCHJPP-ZJUUUORDSA-N 1 0 257.337 2.252 10 0 CEAERO OC[C@@H]1[NH2+]CC[C@]12c1ccccc1N[C@@H]2c1ccccc1 ZINC000584643338 367174664 /nfs/dbraw/zinc/17/46/64/367174664.db2.gz PIJJKUWTSBAZKU-KSZLIROESA-N 1 0 280.371 2.445 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ncc(Cl)n1C ZINC000245425087 370818588 /nfs/dbraw/zinc/81/85/88/370818588.db2.gz KLJACTBVMGEXHG-NEPJUHHUSA-N 1 0 282.819 2.132 10 0 CEAERO C[C@@H]1CN(C(=O)c2ccccc2Cl)C[C@@H]1C[NH3+] ZINC000638886330 370820423 /nfs/dbraw/zinc/82/04/23/370820423.db2.gz QGQMZIPQRZHHDX-ZJUUUORDSA-N 1 0 252.745 2.007 10 0 CEAERO C[C@H]1CN(C(=O)c2cc(F)c(F)cc2Cl)C[C@@H]1C[NH3+] ZINC000638886788 370820634 /nfs/dbraw/zinc/82/06/34/370820634.db2.gz SPTLTORHPCBCBN-YUMQZZPRSA-N 1 0 288.725 2.285 10 0 CEAERO Cc1ccc(Cl)c(OCC(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000638886315 370820657 /nfs/dbraw/zinc/82/06/57/370820657.db2.gz QDKDWFMWFBKIKA-RYUDHWBXSA-N 1 0 296.798 2.080 10 0 CEAERO C[C@H]1CN(C(=O)c2ccc(F)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000638894945 370826488 /nfs/dbraw/zinc/82/64/88/370826488.db2.gz RILYFMUVNFCRPC-WPRPVWTQSA-N 1 0 270.735 2.146 10 0 CEAERO C[C@H](O)CN1CC[N@H+](CC2CCCCCC2)C[C@H]1C ZINC000245686034 370856980 /nfs/dbraw/zinc/85/69/80/370856980.db2.gz AOECHMRYZYFBMM-CABCVRRESA-N 1 0 268.445 2.344 10 0 CEAERO CCOCC[N@@H+]1CCN(Cc2ccsc2)C[C@H]1C ZINC000245683435 370857130 /nfs/dbraw/zinc/85/71/30/370857130.db2.gz ACLIQJYJZGBBIB-CYBMUJFWSA-N 1 0 268.426 2.291 10 0 CEAERO Cc1cc(F)ccc1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000171071554 367471602 /nfs/dbraw/zinc/47/16/02/367471602.db2.gz HBWGKMYABCJBFS-GFCCVEGCSA-N 1 0 265.332 2.302 10 0 CEAERO CC(C)[N@H+](C)CCNC(=O)N[C@@H](C)c1cccs1 ZINC000171154642 367488598 /nfs/dbraw/zinc/48/85/98/367488598.db2.gz KLZOMNVLNNITEL-NSHDSACASA-N 1 0 269.414 2.449 10 0 CEAERO Cc1ccc(C)c(CC(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000170868690 367436303 /nfs/dbraw/zinc/43/63/03/367436303.db2.gz GUKDNGKVHZIITD-HNNXBMFYSA-N 1 0 260.381 2.008 10 0 CEAERO O=C(N1CC[N@@H+]2CCC[C@H]2C1)C1(c2ccccc2)CC1 ZINC000171567268 367567891 /nfs/dbraw/zinc/56/78/91/367567891.db2.gz YUVCZXCAEIKCHI-HNNXBMFYSA-N 1 0 270.376 2.025 10 0 CEAERO C[C@H]1CN(Cc2ccccc2OC(F)F)C[C@@H]1C[NH3+] ZINC000631842069 367584528 /nfs/dbraw/zinc/58/45/28/367584528.db2.gz UUESVKFSPDEOPZ-JQWIXIFHSA-N 1 0 270.323 2.315 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCc1ccc(Cl)cc1 ZINC000335537301 212234088 /nfs/dbraw/zinc/23/40/88/212234088.db2.gz ZBHKUVYGFSTYQB-GWCFXTLKSA-N 1 0 266.772 2.344 10 0 CEAERO O[C@H](CN1CC[NH+]([C@H]2C=CCCC2)CC1)c1ccccc1 ZINC000171746059 367608403 /nfs/dbraw/zinc/60/84/03/367608403.db2.gz FMZJYKDAFFOJAS-ZWKOTPCHSA-N 1 0 286.419 2.446 10 0 CEAERO CN(c1cccnn1)C1CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000171745986 367609053 /nfs/dbraw/zinc/60/90/53/367609053.db2.gz OBGFYDBNZJQLFV-HNNXBMFYSA-N 1 0 272.396 2.486 10 0 CEAERO CCOC(=O)[C@@H](c1ccccc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171930651 367641395 /nfs/dbraw/zinc/64/13/95/367641395.db2.gz BTUQOKMLIOGKCA-HZPDHXFCSA-N 1 0 288.391 2.071 10 0 CEAERO CC[C@H]1CN(Cc2ccsc2)CC[N@@H+]1C[C@H](C)O ZINC000245754740 370870379 /nfs/dbraw/zinc/87/03/79/370870379.db2.gz OKIRQWFBGXVHDC-JSGCOSHPSA-N 1 0 268.426 2.025 10 0 CEAERO CCOc1cccc(CN2CC[N@H+](CCOC)[C@@H](C)C2)c1 ZINC000245729745 370865020 /nfs/dbraw/zinc/86/50/20/370865020.db2.gz JMOKEYDSNZYFJF-HNNXBMFYSA-N 1 0 292.423 2.238 10 0 CEAERO C[C@H]1C[N@H+](C[C@@H](O)COc2ccccc2F)CCS1 ZINC000245833979 370877601 /nfs/dbraw/zinc/87/76/01/370877601.db2.gz UVSMOSIRMBENSY-NWDGAFQWSA-N 1 0 285.384 2.003 10 0 CEAERO C[C@@H]1COC[C@@H](C)[NH+]1Cc1ccc(-n2cccn2)cc1 ZINC000172667497 367796339 /nfs/dbraw/zinc/79/63/39/367796339.db2.gz RFBCWKTXMREBKY-ZIAGYGMSSA-N 1 0 271.364 2.482 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C[C@@H](C)SC ZINC000245775881 370873016 /nfs/dbraw/zinc/87/30/16/370873016.db2.gz ZEOAELANWFPNQS-UPJWGTAASA-N 1 0 270.442 2.213 10 0 CEAERO C[C@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)c1cnn(C)c1 ZINC000343528761 367866019 /nfs/dbraw/zinc/86/60/19/367866019.db2.gz BLVZHZCJMCVNDI-UTUOFQBUSA-N 1 0 251.374 2.274 10 0 CEAERO CSCCC[N@@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000172840915 367827059 /nfs/dbraw/zinc/82/70/59/367827059.db2.gz ZOTKHAOCONIAFY-UHFFFAOYSA-N 1 0 280.441 2.050 10 0 CEAERO CC[C@@H]1CN(Cc2cccc(Cl)n2)CC[N@@H+]1C[C@@H](C)O ZINC000173677109 367932098 /nfs/dbraw/zinc/93/20/98/367932098.db2.gz FFJIBHJOGGPNJU-TZMCWYRMSA-N 1 0 297.830 2.012 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccccc1OC ZINC000175007052 368088860 /nfs/dbraw/zinc/08/88/60/368088860.db2.gz VYFWCTYBHDBWQR-ZIAGYGMSSA-N 1 0 288.391 2.394 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1ccncc1 ZINC000175041235 368091988 /nfs/dbraw/zinc/09/19/88/368091988.db2.gz ZUSNUBLYXJMUDX-HZPDHXFCSA-N 1 0 287.407 2.099 10 0 CEAERO C[C@@H]1CN(C(=O)c2csc(-c3cccs3)n2)C[C@@H]1[NH3+] ZINC000335518434 212204944 /nfs/dbraw/zinc/20/49/44/212204944.db2.gz MRVHKSKYNGRMPT-BDAKNGLRSA-N 1 0 293.417 2.291 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C)cc1O ZINC000175437758 368138213 /nfs/dbraw/zinc/13/82/13/368138213.db2.gz KJHOYPWTFAIJNA-ZIAGYGMSSA-N 1 0 288.391 2.399 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc2[nH]cnc2c1 ZINC000175446800 368138731 /nfs/dbraw/zinc/13/87/31/368138731.db2.gz JXSKBAQBTQSDOQ-UONOGXRCSA-N 1 0 298.390 2.262 10 0 CEAERO CC[C@@H](Oc1cccc(C)c1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000176454964 368241381 /nfs/dbraw/zinc/24/13/81/368241381.db2.gz VMPKDQXGPWGFQS-GDBMZVCRSA-N 1 0 290.407 2.315 10 0 CEAERO COc1ccc([C@H](C)CC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000176205435 368211922 /nfs/dbraw/zinc/21/19/22/368211922.db2.gz DIOVQKYEFQOTQY-UKRRQHHQSA-N 1 0 290.407 2.351 10 0 CEAERO CC(C)(C)OC[C@@H](O)C[NH2+][C@@H](CCO)C1CCCCC1 ZINC000183724295 368644795 /nfs/dbraw/zinc/64/47/95/368644795.db2.gz GEKILCXUDHGRQI-GJZGRUSLSA-N 1 0 287.444 2.083 10 0 CEAERO C[C@@H]1CC[C@@H](C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)O1 ZINC000246012851 370900076 /nfs/dbraw/zinc/90/00/76/370900076.db2.gz LGHVIRHECPQCGY-KFWWJZLASA-N 1 0 282.428 2.325 10 0 CEAERO CCCCc1nc(CN2CC[N@@H+]3CCCC[C@H]3C2)no1 ZINC000246182060 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282.303 2.242 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCc1cccc(C)n1 ZINC000566852790 377776976 /nfs/dbraw/zinc/77/69/76/377776976.db2.gz QBWHXTUSFHGZIM-SJORKVTESA-N 1 0 273.424 2.491 10 0 CEAERO CCC(CC)[C@@H]([NH3+])CNC(=O)NC1CCCCC1 ZINC000230629297 542241980 /nfs/dbraw/zinc/24/19/80/542241980.db2.gz VSAUFFCBBVEPJP-ZDUSSCGKSA-N 1 0 255.406 2.382 10 0 CEAERO Cc1ccc(OCCCN2C[C@H](C)[C@H]([NH3+])C2)cc1C ZINC000300092888 379152447 /nfs/dbraw/zinc/15/24/47/379152447.db2.gz VNXSIQUOINEXSP-GOEBONIOSA-N 1 0 262.397 2.351 10 0 CEAERO CCS[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)COC(C)(C)C ZINC000300672919 379179004 /nfs/dbraw/zinc/17/90/04/379179004.db2.gz UGDBRAHRPGOLFL-RWMBFGLXSA-N 1 0 275.458 2.426 10 0 CEAERO CC(C)[C@@H]1C[NH2+]CCN1c1cncc(Br)c1 ZINC000301014192 379180822 /nfs/dbraw/zinc/18/08/22/379180822.db2.gz YFNPEJNHJNUMGX-LBPRGKRZSA-N 1 0 284.201 2.278 10 0 CEAERO CN1CC[C@H](Nc2cc[nH+]c3cc(F)ccc23)C1=O ZINC000301351138 379264245 /nfs/dbraw/zinc/26/42/45/379264245.db2.gz JACUUJDUIHFXLN-LBPRGKRZSA-N 1 0 259.284 2.017 10 0 CEAERO COC(=O)c1cccnc1C[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000302297976 379353481 /nfs/dbraw/zinc/35/34/81/379353481.db2.gz HAZRDHWHIMOQSL-VXGBXAGGSA-N 1 0 262.353 2.346 10 0 CEAERO CC(C)Cc1nsc(N2C[C@H](C)[C@H]([NH+](C)C)C2)n1 ZINC000302305772 379354635 /nfs/dbraw/zinc/35/46/35/379354635.db2.gz REHBKPIKUZLMQR-WDEREUQCSA-N 1 0 268.430 2.123 10 0 CEAERO CN(C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000305167798 379668866 /nfs/dbraw/zinc/66/88/66/379668866.db2.gz YXKJXUYIBRHYOU-MGPQQGTHSA-N 1 0 256.434 2.103 10 0 CEAERO C[C@H]1C[C@@H](C(=O)N2CCc3ccsc3C2)CC[N@@H+]1C ZINC000279126242 194295050 /nfs/dbraw/zinc/29/50/50/194295050.db2.gz DLJJOEXAUZFWRZ-AAEUAGOBSA-N 1 0 278.421 2.363 10 0 CEAERO CC1(C)CN(C(=O)NC[C@@H]2CC=CCC2)CC[C@@H]1[NH3+] ZINC000334924713 207301543 /nfs/dbraw/zinc/30/15/43/207301543.db2.gz YINZCIKUDUWPBV-OLZOCXBDSA-N 1 0 265.401 2.112 10 0 CEAERO CC1(C)CN(C(=O)NC[C@H]2CC=CCC2)CC[C@H]1[NH3+] ZINC000334924722 207301784 /nfs/dbraw/zinc/30/17/84/207301784.db2.gz YINZCIKUDUWPBV-QWHCGFSZSA-N 1 0 265.401 2.112 10 0 CEAERO CC[C@](C)(O)C[N@@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000191620041 542342995 /nfs/dbraw/zinc/34/29/95/542342995.db2.gz KTFAZBPFXWZXQJ-BBRMVZONSA-N 1 0 280.387 2.497 10 0 CEAERO CC[C@@H]1c2ccsc2CCN1C(=O)CC1C[NH2+]C1 ZINC000081764543 184596347 /nfs/dbraw/zinc/59/63/47/184596347.db2.gz KTKILNYLUHMFMT-GFCCVEGCSA-N 1 0 264.394 2.193 10 0 CEAERO CCCc1cc(=O)[nH]c(S[C@H]2CCCC[C@@H]2[NH2+]C)n1 ZINC000081864346 184598572 /nfs/dbraw/zinc/59/85/72/184598572.db2.gz JXGILAYXLHBWCW-RYUDHWBXSA-N 1 0 281.425 2.345 10 0 CEAERO C[NH2+][C@H]1CCC2(C[C@H]1Sc1ccccn1)OCCO2 ZINC000081865535 184598651 /nfs/dbraw/zinc/59/86/51/184598651.db2.gz JIKYUCRWSRMHAR-NWDGAFQWSA-N 1 0 280.393 2.057 10 0 CEAERO CCC[NH2+][C@](CO)(CN(CCC)C1CC1)C1CC1 ZINC000085239867 184607992 /nfs/dbraw/zinc/60/79/92/184607992.db2.gz BUMDSUAGJKVKMF-HNNXBMFYSA-N 1 0 254.418 2.002 10 0 CEAERO CCC[NH2+]Cc1ccc(CS(=O)(=O)N(C)CCC)cc1 ZINC000088947457 184614998 /nfs/dbraw/zinc/61/49/98/184614998.db2.gz HRLLILHGOCGWOE-UHFFFAOYSA-N 1 0 298.452 2.358 10 0 CEAERO CC[C@H]1CCCCN1S(=O)(=O)CCCC[NH2+]C(C)C ZINC000088943078 184615151 /nfs/dbraw/zinc/61/51/51/184615151.db2.gz UYSWUAXBNINODD-AWEZNQCLSA-N 1 0 290.473 2.359 10 0 CEAERO CC[C@@H](C)CN(C)S(=O)(=O)c1cc(C[NH3+])c(C)cc1C ZINC000088952474 184615245 /nfs/dbraw/zinc/61/52/45/184615245.db2.gz LQJQGKZVKKSEBU-LLVKDONJSA-N 1 0 298.452 2.429 10 0 CEAERO CCC(CC)N(C)S(=O)(=O)CCCC[NH2+]C(C)C ZINC000088964090 184615484 /nfs/dbraw/zinc/61/54/84/184615484.db2.gz FLDOZUVVLWJZFB-UHFFFAOYSA-N 1 0 278.462 2.215 10 0 CEAERO CC[NH2+][C@@H]1c2cc(OC)ccc2C[C@H]1N(C)C1CC1 ZINC000092838713 184631435 /nfs/dbraw/zinc/63/14/35/184631435.db2.gz UJSUETLUQLBJSP-HZPDHXFCSA-N 1 0 260.381 2.365 10 0 CEAERO Cn1cc([C@@H]2CC[NH2+]C[C@@H]2Cc2ccccc2)cn1 ZINC000092691343 184621444 /nfs/dbraw/zinc/62/14/44/184621444.db2.gz QIBOKWHMOPDYHC-GOEBONIOSA-N 1 0 255.365 2.356 10 0 CEAERO C[NH2+][C@H](CSC1COC1)c1cc(C)ccc1OC ZINC000092712679 184622089 /nfs/dbraw/zinc/62/20/89/184622089.db2.gz GUCUMBUQEGSHRA-CYBMUJFWSA-N 1 0 267.394 2.396 10 0 CEAERO c1cc([C@H]2OCC[C@@H]2C[NH2+]C2CC2)cc2c1OCC2 ZINC000092875036 184632926 /nfs/dbraw/zinc/63/29/26/184632926.db2.gz XRYXGGCTTKEAEO-CZUORRHYSA-N 1 0 259.349 2.451 10 0 CEAERO COCC[NH2+]C[C@@H]1CCO[C@H]1[C@@H](C)c1ccccc1 ZINC000092882283 184633414 /nfs/dbraw/zinc/63/34/14/184633414.db2.gz JLHQAIANDAWABL-BPUTZDHNSA-N 1 0 263.381 2.431 10 0 CEAERO CCOc1ccccc1[C@H]1OCC[C@@H]1C[NH2+]CCOC ZINC000092881984 184633556 /nfs/dbraw/zinc/63/35/56/184633556.db2.gz UQUMCADGQIOXJK-CJNGLKHVSA-N 1 0 279.380 2.399 10 0 CEAERO C[NH2+]C[C@H]1CCCO[C@@H]1c1ccc(OC)c(OC)c1 ZINC000092882822 184633673 /nfs/dbraw/zinc/63/36/73/184633673.db2.gz SUTXDVQKJQVPDW-IUODEOHRSA-N 1 0 265.353 2.391 10 0 CEAERO CCOc1cc2c(cc1[C@@H]1OCC[C@@H]1[NH3+])O[C@H](C)C2 ZINC000092888699 184633755 /nfs/dbraw/zinc/63/37/55/184633755.db2.gz FYWIEBGWCIMXAP-LYSGOOTNSA-N 1 0 263.337 2.197 10 0 CEAERO Cc1c(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)ccn1C ZINC000194993001 542363611 /nfs/dbraw/zinc/36/36/11/542363611.db2.gz LDYHHDWQRSWAFA-MRXNPFEDSA-N 1 0 285.391 2.366 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1cc(F)c(F)c(F)c1F ZINC000335239522 208002657 /nfs/dbraw/zinc/00/26/57/208002657.db2.gz LQSXTAIDYURALG-IMTBSYHQSA-N 1 0 290.260 2.100 10 0 CEAERO CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089457098 285101892 /nfs/dbraw/zinc/10/18/92/285101892.db2.gz CAAGPWXHGXKCCU-GDBMZVCRSA-N 1 0 290.407 2.419 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)N1CCCCCC1 ZINC000177713900 285241362 /nfs/dbraw/zinc/24/13/62/285241362.db2.gz IHWWLASPJNBARJ-JKSUJKDBSA-N 1 0 295.471 2.194 10 0 CEAERO Cc1cccc(N2C(=[NH2+])NC[C@@]23CCO[C@H](C)C3)c1 ZINC000093379977 184668943 /nfs/dbraw/zinc/66/89/43/184668943.db2.gz NSQOOCJZOSEXGB-DOMZBBRYSA-N 1 0 259.353 2.067 10 0 CEAERO CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1S(=O)(=O)CCC ZINC000081939901 177904147 /nfs/dbraw/zinc/90/41/47/177904147.db2.gz OBFQCXHWTNTITH-AVGNSLFASA-N 1 0 261.431 2.368 10 0 CEAERO CCS(=O)(=O)[C@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH3+] ZINC000081925772 177898225 /nfs/dbraw/zinc/89/82/25/177898225.db2.gz VUQXMGXINABUFC-IHRRRGAJSA-N 1 0 267.394 2.085 10 0 CEAERO Cc1ccc(S(=O)(=O)CCC[NH2+]CC(C)C)cc1 ZINC000081920955 177895140 /nfs/dbraw/zinc/89/51/40/177895140.db2.gz SNMZMRYHENAXBD-UHFFFAOYSA-N 1 0 269.410 2.404 10 0 CEAERO Cc1ccnc(S[C@@H]2COc3ccccc3[C@@H]2[NH3+])n1 ZINC000081876922 177871549 /nfs/dbraw/zinc/87/15/49/177871549.db2.gz BYXOFVWPIVDCCO-OLZOCXBDSA-N 1 0 273.361 2.338 10 0 CEAERO CC1(C)CC[C@H]([NH3+])[C@@H](Sc2ncnc3[nH]cnc32)C1 ZINC000081876500 177871021 /nfs/dbraw/zinc/87/10/21/177871021.db2.gz FGCDIHHWYXQFPT-IUCAKERBSA-N 1 0 277.397 2.351 10 0 CEAERO CC[NH2+][C@@H]1CCCCC[C@H]1SCCS(C)(=O)=O ZINC000081769011 177856243 /nfs/dbraw/zinc/85/62/43/177856243.db2.gz LPEZLUKQEKIOHF-VXGBXAGGSA-N 1 0 279.471 2.075 10 0 CEAERO CC(C)(c1noc(CC2C[NH2+]C2)n1)c1ccccc1 ZINC000081767715 177855653 /nfs/dbraw/zinc/85/56/53/177855653.db2.gz IKRNMNKWSUZKNP-UHFFFAOYSA-N 1 0 257.337 2.157 10 0 CEAERO CCCS(=O)(=O)c1ccc(N[C@](C)(CC)C[NH3+])cc1 ZINC000080885405 177723135 /nfs/dbraw/zinc/72/31/35/177723135.db2.gz NMWHICFYHOXDHV-CQSZACIVSA-N 1 0 284.425 2.410 10 0 CEAERO COC[C@H](C)[N@@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000248599984 285341320 /nfs/dbraw/zinc/34/13/20/285341320.db2.gz NOMRAJYLTQOSAR-XUXIUFHCSA-N 1 0 298.427 2.256 10 0 CEAERO Cc1nc2ccccc2n(CC[C@H]2CCC[C@@H]2[NH3+])c1=O ZINC000093557258 184690843 /nfs/dbraw/zinc/69/08/43/184690843.db2.gz XJXTWBMEEFFZQM-OLZOCXBDSA-N 1 0 271.364 2.222 10 0 CEAERO CCc1c(C)nn(CC[C@@H]2CCC[C@]2(CO)[NH2+]C)c1C ZINC000093618923 184696485 /nfs/dbraw/zinc/69/64/85/184696485.db2.gz RSKJJANSNRWQPG-GOEBONIOSA-N 1 0 279.428 2.203 10 0 CEAERO CC[NH2+][C@@]1(CO)CCC[C@H]1CCOc1ccc(CO)cc1 ZINC000093619636 184697442 /nfs/dbraw/zinc/69/74/42/184697442.db2.gz RHRWUYQXIOOFIE-DOTOQJQBSA-N 1 0 293.407 2.089 10 0 CEAERO COC(=O)[C@@]1([NH3+])CCC[C@@H]1CCOc1ccc(F)c(F)c1 ZINC000093625436 184698053 /nfs/dbraw/zinc/69/80/53/184698053.db2.gz NNQYFSAPSJFJCJ-MEBBXXQBSA-N 1 0 299.317 2.404 10 0 CEAERO Cc1cccc(NC(=O)c2ccccc2CC[NH3+])c1O ZINC000093654665 184703318 /nfs/dbraw/zinc/70/33/18/184703318.db2.gz ZGFLYKYHEQYKAH-UHFFFAOYSA-N 1 0 270.332 2.454 10 0 CEAERO CCC(CC)[C@@H](C)[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093696937 184707472 /nfs/dbraw/zinc/70/74/72/184707472.db2.gz OAFZHPMIJHIMFC-CHWSQXEVSA-N 1 0 290.473 2.072 10 0 CEAERO CCC[NH2+]C[C@@H](C)CC[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093702309 184707896 /nfs/dbraw/zinc/70/78/96/184707896.db2.gz KDSIKXFXPPNZKA-UONOGXRCSA-N 1 0 290.473 2.074 10 0 CEAERO CC[C@@H](C[NH2+]C(C)C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701432 184708166 /nfs/dbraw/zinc/70/81/66/184708166.db2.gz RWJMRBXHDYKWTL-KGLIPLIRSA-N 1 0 290.473 2.072 10 0 CEAERO C[NH2+][C@H]1CCc2c1cccc2OCC(C)(C)C(=O)OC ZINC000093714927 184708694 /nfs/dbraw/zinc/70/86/94/184708694.db2.gz KIJVONXAFVQFFP-ZDUSSCGKSA-N 1 0 277.364 2.471 10 0 CEAERO COC(=O)C(C)(C)Cn1ccc([C@H]([NH3+])C(C)C)c1 ZINC000093718831 184709526 /nfs/dbraw/zinc/70/95/26/184709526.db2.gz WRCABNBIOZSKCI-GFCCVEGCSA-N 1 0 252.358 2.343 10 0 CEAERO COC(=O)[C@]1(N)CCC[C@@H]([NH+]2CCCCCCC2)C1 ZINC000093748102 184712610 /nfs/dbraw/zinc/71/26/10/184712610.db2.gz SDFROMAOQPAXFG-HIFRSBDPSA-N 1 0 268.401 2.066 10 0 CEAERO CCOc1ccccc1O[C@H]1CCC[C@]([NH3+])(CO)C1 ZINC000093785286 184721966 /nfs/dbraw/zinc/72/19/66/184721966.db2.gz WCKBZIPPXREEHN-SWLSCSKDSA-N 1 0 265.353 2.097 10 0 CEAERO OC[C@]1([NH2+]C2CC2)CCC[C@H](SC2CCOCC2)C1 ZINC000093786349 184722001 /nfs/dbraw/zinc/72/20/01/184722001.db2.gz BHUPCHGWADRBRP-GJZGRUSLSA-N 1 0 285.453 2.324 10 0 CEAERO CCCOc1ccc(O[C@H]2CCC[C@]([NH3+])(CO)C2)cc1 ZINC000093785722 184722111 /nfs/dbraw/zinc/72/21/11/184722111.db2.gz KVOHKRPUXZMCAD-JKSUJKDBSA-N 1 0 279.380 2.487 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(N)cc1F ZINC000094457275 184803231 /nfs/dbraw/zinc/80/32/31/184803231.db2.gz POYDUUKIDVSXSR-SMDDNHRTSA-N 1 0 263.360 2.076 10 0 CEAERO CCC[NH2+][C@@H](c1cnccc1C)[C@H]1CN(CC)CCO1 ZINC000093915519 184742296 /nfs/dbraw/zinc/74/22/96/184742296.db2.gz HAHLRXRAZCCPAD-CVEARBPZSA-N 1 0 277.412 2.151 10 0 CEAERO Cc1ccc(CC(=O)NC2C(C)(C)C([NH3+])C2(C)C)cc1 ZINC000094006202 184749700 /nfs/dbraw/zinc/74/97/00/184749700.db2.gz DJSONLQLSKXIIL-UHFFFAOYSA-N 1 0 274.408 2.416 10 0 CEAERO COC(=O)c1cc(C)ccc1NCC1CC[NH2+]CC1 ZINC000094009761 184749865 /nfs/dbraw/zinc/74/98/65/184749865.db2.gz JWIMAKJEFGIHQT-UHFFFAOYSA-N 1 0 262.353 2.193 10 0 CEAERO CCCN(CC1CC[NH2+]CC1)C(=O)[C@@H]1CCCS1 ZINC000094022747 184751077 /nfs/dbraw/zinc/75/10/77/184751077.db2.gz INIJKQBBZFYAFP-ZDUSSCGKSA-N 1 0 270.442 2.120 10 0 CEAERO O=C(c1ccc(F)cc1)N(CC1CC[NH2+]CC1)C1CC1 ZINC000094023432 184751348 /nfs/dbraw/zinc/75/13/48/184751348.db2.gz BDCXHNVBRRKTRZ-UHFFFAOYSA-N 1 0 276.355 2.430 10 0 CEAERO [NH3+][C@H](Cc1ccncc1)[C@@H]1CCCc2cccnc21 ZINC000094117399 184755979 /nfs/dbraw/zinc/75/59/79/184755979.db2.gz IHYKFIGHEDSAQC-LSDHHAIUSA-N 1 0 253.349 2.467 10 0 CEAERO CCCn1ccnc1C[C@H]([NH2+]C)C1(N(C)C)CCCC1 ZINC000094163516 184758543 /nfs/dbraw/zinc/75/85/43/184758543.db2.gz BBPQTIXDOAOEBU-AWEZNQCLSA-N 1 0 278.444 2.298 10 0 CEAERO CCCn1c(C[C@@](C)([NH3+])COC)nc2ccccc21 ZINC000094169040 184758597 /nfs/dbraw/zinc/75/85/97/184758597.db2.gz YGYCSLZBYFSCDA-OAHLLOKOSA-N 1 0 261.369 2.353 10 0 CEAERO CCCn1c(C[C@@H](O)C[NH2+]C(C)C)nc2ccccc21 ZINC000094173225 184759066 /nfs/dbraw/zinc/75/90/66/184759066.db2.gz PRHQFMXCKUQDSJ-CYBMUJFWSA-N 1 0 275.396 2.348 10 0 CEAERO CCC[NH2+][C@H](c1ccc2[nH]c(=O)[nH]c2c1)[C@H]1CCO[C@@H]1C ZINC000094176645 184759769 /nfs/dbraw/zinc/75/97/69/184759769.db2.gz FHQVDLPSUPZKGY-IFUGULHKSA-N 1 0 289.379 2.322 10 0 CEAERO CCOc1ccc2nc(CC[C@H]3CCCC[NH2+]3)[nH]c2n1 ZINC000094262384 184770792 /nfs/dbraw/zinc/77/07/92/184770792.db2.gz DANWALZCUBBTQB-LLVKDONJSA-N 1 0 274.368 2.431 10 0 CEAERO C[NH2+][C@@H]1[C@@H](CN(C)Cc2nccn2C)CCCC1(C)C ZINC000094288371 184775692 /nfs/dbraw/zinc/77/56/92/184775692.db2.gz BJYWSFBNABWDAN-UKRRQHHQSA-N 1 0 278.444 2.266 10 0 CEAERO CCc1ccc([C@@H](O)CN2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000094464035 184805005 /nfs/dbraw/zinc/80/50/05/184805005.db2.gz YQNIKFHBGNOBBE-SJORKVTESA-N 1 0 274.408 2.062 10 0 CEAERO CCCCS(=O)(=O)[C@H]1CCC(C)(C)[C@@H]1[NH2+]CC ZINC000094311324 184778628 /nfs/dbraw/zinc/77/86/28/184778628.db2.gz DBDIRYAXUOFNSL-NWDGAFQWSA-N 1 0 261.431 2.368 10 0 CEAERO CC1(C)CC[C@@H](Sc2nnnn2C2CCCC2)[C@@H]1[NH3+] ZINC000094312969 184779235 /nfs/dbraw/zinc/77/92/35/184779235.db2.gz XNKQMBMZOKIRKF-MNOVXSKESA-N 1 0 281.429 2.396 10 0 CEAERO Cn1nc(C[C@]2(C[NH3+])CCC(C)(C)[C@H]2O)c2ccccc21 ZINC000094314704 184779238 /nfs/dbraw/zinc/77/92/38/184779238.db2.gz RAGWQYBJYUJYMD-WBVHZDCISA-N 1 0 287.407 2.242 10 0 CEAERO [NH3+]C[C@@]1(O[C@@H]2CCOC3(CCCC3)C2)CCCOC1 ZINC000094362024 184789216 /nfs/dbraw/zinc/78/92/16/184789216.db2.gz NKPNSQVMVNKDTL-HIFRSBDPSA-N 1 0 269.385 2.003 10 0 CEAERO CSC[C@@H](C)C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000094373107 184790962 /nfs/dbraw/zinc/79/09/62/184790962.db2.gz VTHSCIZOKUGLJW-QWHCGFSZSA-N 1 0 273.442 2.303 10 0 CEAERO CCC([NH3+])(CC)CO[C@@H]1CCOC2(CCOCC2)C1 ZINC000094381133 184791469 /nfs/dbraw/zinc/79/14/69/184791469.db2.gz SQIFJHPWASKJRD-CYBMUJFWSA-N 1 0 271.401 2.249 10 0 CEAERO [NH3+]CCc1ccc(O[C@H]2CCO[C@@]3(CCSC3)C2)cn1 ZINC000094408789 184793828 /nfs/dbraw/zinc/79/38/28/184793828.db2.gz IOTPPLCKMHNTNM-ZFWWWQNUSA-N 1 0 294.420 2.016 10 0 CEAERO CC[NH2+]Cc1ccn([C@H]2CCO[C@@]3(CCSC3)C2)n1 ZINC000094414715 184794907 /nfs/dbraw/zinc/79/49/07/184794907.db2.gz OMLZDBFNKDAYBA-KBPBESRZSA-N 1 0 281.425 2.220 10 0 CEAERO CCC[NH+]1CCC(Nc2ncnc(OC(C)C)c2N)CC1 ZINC000094734043 184849016 /nfs/dbraw/zinc/84/90/16/184849016.db2.gz KOFYMSBCYRCVIX-UHFFFAOYSA-N 1 0 293.415 2.132 10 0 CEAERO Cc1noc(C)c1CN(C)C(=O)[C@H]1CCCCC[C@H]1[NH3+] ZINC000094751658 184852823 /nfs/dbraw/zinc/85/28/23/184852823.db2.gz CAHJKCIQFISNLC-GXTWGEPZSA-N 1 0 279.384 2.157 10 0 CEAERO [NH3+]Cc1ccc(CN2CCC[C@@H](C(F)(F)F)C2)nc1 ZINC000094758814 184854939 /nfs/dbraw/zinc/85/49/39/184854939.db2.gz HNXMLSGTXBQTMB-LLVKDONJSA-N 1 0 273.302 2.315 10 0 CEAERO Cc1cc(Sc2nc[nH]n2)c([C@H](C)[NH3+])cc1F ZINC000094768210 184856249 /nfs/dbraw/zinc/85/62/49/184856249.db2.gz JBAGJQWOSLMXDX-ZETCQYMHSA-N 1 0 252.318 2.423 10 0 CEAERO C[C@@]1([C@H]([NH3+])CCc2ccc3c(c2)CCO3)CCCO1 ZINC000094782670 184862778 /nfs/dbraw/zinc/86/27/78/184862778.db2.gz GNYHHSXLDLSNFJ-CVEARBPZSA-N 1 0 261.365 2.451 10 0 CEAERO CCc1nc([C@]2(C)CCCO2)nc(CC)c1CC[NH3+] ZINC000094785792 184863624 /nfs/dbraw/zinc/86/36/24/184863624.db2.gz ISHHFWMFFIXMHK-HNNXBMFYSA-N 1 0 263.385 2.128 10 0 CEAERO CC(C)[NH2+][C@]1(C(=O)[O-])CC[C@H]([N@@H+]2CCC(C)(C)C2)C1 ZINC000094809797 184871969 /nfs/dbraw/zinc/87/19/69/184871969.db2.gz MYDBCNZENVWJQV-SWLSCSKDSA-N 1 0 268.401 2.092 10 0 CEAERO CC1(C)CCSC[C@]1(O)Cc1c[nH+]ccc1N ZINC000094485251 184809148 /nfs/dbraw/zinc/80/91/48/184809148.db2.gz OKLKSZATPLQIFV-CYBMUJFWSA-N 1 0 252.383 2.101 10 0 CEAERO C[NH2+][C@H]([C@@H]1CCOC2(CCC2)C1)[C@@H]1CSCCO1 ZINC000094503362 184811323 /nfs/dbraw/zinc/81/13/23/184811323.db2.gz IDHBMVPNNOAPIV-FRRDWIJNSA-N 1 0 271.426 2.056 10 0 CEAERO CCCCCC[C@H]([NH2+]CCC)[C@@H]1CN2CCN1CC2 ZINC000094510540 184812345 /nfs/dbraw/zinc/81/23/45/184812345.db2.gz FODCYKXMUFHWBK-HOTGVXAUSA-N 1 0 267.461 2.325 10 0 CEAERO [NH2+]=C1NC[C@H](c2ccccc2C2CC2)N1C[C@H]1CCCO1 ZINC000094529461 184814751 /nfs/dbraw/zinc/81/47/51/184814751.db2.gz GUXCVQAZUJGLJE-CZUORRHYSA-N 1 0 285.391 2.414 10 0 CEAERO Cc1ccc(CC(=O)N2C[C@H](C)C[C@@H]([NH3+])C2)cc1C ZINC000094548640 184815599 /nfs/dbraw/zinc/81/55/99/184815599.db2.gz BZDMHARILRVQIJ-IAQYHMDHSA-N 1 0 260.381 2.042 10 0 CEAERO C[C@H]1C[C@H]([NH3+])CN(C(=O)Nc2cccc(F)c2)C1 ZINC000094550106 184817036 /nfs/dbraw/zinc/81/70/36/184817036.db2.gz YVQSZURTRMGHQE-ONGXEEELSA-N 1 0 251.305 2.027 10 0 CEAERO Cc1cc(C)c(NC(=O)[C@H]2CC[C@@H](C[NH3+])O2)c(C)c1 ZINC000094562650 184818503 /nfs/dbraw/zinc/81/85/03/184818503.db2.gz KQEDETYGMBIXGD-QWHCGFSZSA-N 1 0 262.353 2.057 10 0 CEAERO Cc1cccn2nc(NCC(C)(C)C[NH+](C)C)nc12 ZINC000094602433 184824224 /nfs/dbraw/zinc/82/42/24/184824224.db2.gz IXAZZJVPOXVAMG-UHFFFAOYSA-N 1 0 261.373 2.037 10 0 CEAERO CC[NH+](CC)C[C@H](C)Nc1nc2cc(C)ccn2n1 ZINC000094605104 184824762 /nfs/dbraw/zinc/82/47/62/184824762.db2.gz FSZCTYORRQLKOU-LBPRGKRZSA-N 1 0 261.373 2.180 10 0 CEAERO Cc1cccc2nc(N3CC[NH2+]Cc4ccccc43)nn21 ZINC000094607826 184825410 /nfs/dbraw/zinc/82/54/10/184825410.db2.gz RRQWOZVEFRVQDH-UHFFFAOYSA-N 1 0 279.347 2.279 10 0 CEAERO C[NH2+][C@@]1(CO)CCC[C@H](Sc2ccncc2)C1 ZINC000094616470 184826893 /nfs/dbraw/zinc/82/68/93/184826893.db2.gz CLRUYHYVYWWPJW-STQMWFEESA-N 1 0 252.383 2.067 10 0 CEAERO CC[C@H](C)n1ccc(C[C@H]([NH3+])Cc2ccc(OC)nc2)n1 ZINC000094632226 184829632 /nfs/dbraw/zinc/82/96/32/184829632.db2.gz MFPAFQMIHCVFIX-GXTWGEPZSA-N 1 0 288.395 2.370 10 0 CEAERO COc1ccc(C[C@H]([NH3+])CCC[C@H]2CCCO2)cn1 ZINC000094632486 184829983 /nfs/dbraw/zinc/82/99/83/184829983.db2.gz CXCBETSXYWHPDI-KGLIPLIRSA-N 1 0 264.369 2.309 10 0 CEAERO CCC[NH2+][C@H](C1CC1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094641810 184832345 /nfs/dbraw/zinc/83/23/45/184832345.db2.gz FBVPGKVMKNRSGE-MELADBBJSA-N 1 0 273.442 2.368 10 0 CEAERO COc1ccccc1CN(C)C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000094647445 184832779 /nfs/dbraw/zinc/83/27/79/184832779.db2.gz RUSCKKIWAGDQDI-JSGCOSHPSA-N 1 0 276.380 2.042 10 0 CEAERO CCN(Cc1ccccc1)C(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000094647181 184833377 /nfs/dbraw/zinc/83/33/77/184833377.db2.gz INXMUIGMRPFFPH-HIFRSBDPSA-N 1 0 260.381 2.423 10 0 CEAERO CC[C@@](C)([C@H](O)c1cc(OC)cc(OC)c1)[NH+](C)C ZINC000094650764 184834710 /nfs/dbraw/zinc/83/47/10/184834710.db2.gz BRAMBYOTICPVFP-CABCVRRESA-N 1 0 267.369 2.468 10 0 CEAERO Cc1cccc(CC(=O)N[C@@H]2CC[C@@H](C)[NH2+][C@@H]2C)c1 ZINC000094665112 184836639 /nfs/dbraw/zinc/83/66/39/184836639.db2.gz FMNGHSJXNIXPBH-UMVBOHGHSA-N 1 0 260.381 2.183 10 0 CEAERO C[C@@H]1CN(Cc2cccc(O)c2)C2(CCCC2)C[NH2+]1 ZINC000094689762 184839983 /nfs/dbraw/zinc/83/99/83/184839983.db2.gz ATJQGEJXAPGIQB-CYBMUJFWSA-N 1 0 260.381 2.499 10 0 CEAERO C[C@@H]1CCC[C@@H](C[NH3+])N1C(=O)Cc1cccc(F)c1F ZINC000094713598 184845818 /nfs/dbraw/zinc/84/58/18/184845818.db2.gz DKLBQSVQGBCDPT-PWSUYJOCSA-N 1 0 282.334 2.236 10 0 CEAERO Cc1csc(COc2ccc(C[C@@H](C)[NH3+])nc2)n1 ZINC000094975152 184909365 /nfs/dbraw/zinc/90/93/65/184909365.db2.gz DVJUYUOKXBFPTM-SECBINFHSA-N 1 0 263.366 2.315 10 0 CEAERO CCC[NH2+][C@H](Cc1nc(C)cs1)[C@@H]1CN(CC)CCO1 ZINC000094974584 184909426 /nfs/dbraw/zinc/90/94/26/184909426.db2.gz IBQDQMUXJUKVKS-KGLIPLIRSA-N 1 0 297.468 2.083 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccncc1)N(C)CCOCC1CC1 ZINC000094983723 184910460 /nfs/dbraw/zinc/91/04/60/184910460.db2.gz NTVFIHJBDMVSHI-JKSUJKDBSA-N 1 0 277.412 2.218 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccc(OCc2cccnc2OC)cn1 ZINC000095009937 184914460 /nfs/dbraw/zinc/91/44/60/184914460.db2.gz VOGOEYHOUJVSJY-CYBMUJFWSA-N 1 0 287.363 2.344 10 0 CEAERO COC[C@@H](C)CC(=O)N(CCC[NH3+])c1cccc(F)c1 ZINC000095033462 184919624 /nfs/dbraw/zinc/91/96/24/184919624.db2.gz IVDABUAJNGVPDA-LBPRGKRZSA-N 1 0 282.359 2.180 10 0 CEAERO Clc1ccc(OCCC[C@@H]2CCC[NH2+]C2)nn1 ZINC000095069973 184931817 /nfs/dbraw/zinc/93/18/17/184931817.db2.gz MEGMLCZNJIDZQW-JTQLQIEISA-N 1 0 255.749 2.289 10 0 CEAERO Clc1ncc(COC[C@H]2CCC[NH2+]C2)c(Cl)n1 ZINC000095070131 184932007 /nfs/dbraw/zinc/93/20/07/184932007.db2.gz IKPRPGAYHJJTLZ-QMMMGPOBSA-N 1 0 276.167 2.300 10 0 CEAERO Nc1nc2ccccc2nc1OCC[C@@H]1CCCC[NH2+]1 ZINC000095072193 184933735 /nfs/dbraw/zinc/93/37/35/184933735.db2.gz SCMGCGVGTCRLQY-NSHDSACASA-N 1 0 272.352 2.123 10 0 CEAERO CSc1nccnc1COCC[C@@H]1CCCC[NH2+]1 ZINC000095071955 184933875 /nfs/dbraw/zinc/93/38/75/184933875.db2.gz DIEQYYVQTOECKV-NSHDSACASA-N 1 0 267.398 2.247 10 0 CEAERO Brc1ccc(COC[C@H]2CCC[NH2+]C2)cn1 ZINC000095092343 184941452 /nfs/dbraw/zinc/94/14/52/184941452.db2.gz VWGAYCYQVFGECP-JTQLQIEISA-N 1 0 285.185 2.360 10 0 CEAERO c1ccc2nc(NC3CC3)c(NC[C@@H]3CCC[NH2+]3)nc2c1 ZINC000095092604 184942213 /nfs/dbraw/zinc/94/22/13/184942213.db2.gz UNTGQZQJJLNZPZ-LBPRGKRZSA-N 1 0 283.379 2.368 10 0 CEAERO CCc1ccsc1C[NH2+][C@@H]1CCC[C@H]1S(C)(=O)=O ZINC000094876161 184885334 /nfs/dbraw/zinc/88/53/34/184885334.db2.gz MKKJYUIJPSJFPC-DGCLKSJQSA-N 1 0 287.450 2.366 10 0 CEAERO Cc1cccc(CN(C)C(=O)CC[C@@H]2CCCC[NH2+]2)n1 ZINC000094915078 184891670 /nfs/dbraw/zinc/89/16/70/184891670.db2.gz AVSGNZHIPKOTAZ-AWEZNQCLSA-N 1 0 275.396 2.271 10 0 CEAERO CC[C@@H](CC[NH3+])CNC(=O)Nc1ccc(F)cc1 ZINC000094962218 184906245 /nfs/dbraw/zinc/90/62/45/184906245.db2.gz BOYVMHZBXASCFN-JTQLQIEISA-N 1 0 253.321 2.322 10 0 CEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1c(F)cccc1Cl ZINC000282423878 195604427 /nfs/dbraw/zinc/60/44/27/195604427.db2.gz QXIDFIGYPCHHTL-UFBFGSQYSA-N 1 0 270.735 2.236 10 0 CEAERO C[C@H](c1c(F)cccc1F)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000247038935 299619506 /nfs/dbraw/zinc/61/95/06/299619506.db2.gz DPPGXZSLFKKZJO-NEPJUHHUSA-N 1 0 284.350 2.288 10 0 CEAERO C[C@@H]1OCCC[C@@H]1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000191717858 130286505 /nfs/dbraw/zinc/28/65/05/130286505.db2.gz QKQXZNGNTPFZQV-BBRMVZONSA-N 1 0 290.407 2.180 10 0 CEAERO C[C@@H](O)C[NH+]1CCC(CN(C)c2cccc(Cl)n2)CC1 ZINC000192791260 130546857 /nfs/dbraw/zinc/54/68/57/130546857.db2.gz AWJZVHGMKHPZKP-GFCCVEGCSA-N 1 0 297.830 2.264 10 0 CEAERO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)c1cccc(CO)c1 ZINC000245630183 131088178 /nfs/dbraw/zinc/08/81/78/131088178.db2.gz SFQNUAFRWQCYTA-APHBMKBZSA-N 1 0 263.381 2.381 10 0 CEAERO Cc1ccc(CN(C)C(=O)CC[C@@H]2CCC[NH2+]2)o1 ZINC000261572542 131152685 /nfs/dbraw/zinc/15/26/85/131152685.db2.gz LRQOWNUGSLUAMT-LBPRGKRZSA-N 1 0 250.342 2.079 10 0 CEAERO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)[C@H](OC)c1ccc(F)cc1 ZINC000262526114 131229959 /nfs/dbraw/zinc/22/99/59/131229959.db2.gz GMBIYAVHSHWBSY-GVARAGBVSA-N 1 0 296.386 2.391 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000262643346 131246196 /nfs/dbraw/zinc/24/61/96/131246196.db2.gz STRPVDORADMXEA-RWMBFGLXSA-N 1 0 296.436 2.018 10 0 CEAERO CCC[C@@](C)([NH3+])C(=O)Nc1cccc(C[S@@](C)=O)c1C ZINC000262646657 131246262 /nfs/dbraw/zinc/24/62/62/131246262.db2.gz SEXHYXUDIAKBDJ-FOIQADDNSA-N 1 0 296.436 2.330 10 0 CEAERO OC[C@](CN1CCCc2ccccc21)([NH2+]C1CC1)C1CC1 ZINC000070513015 134952363 /nfs/dbraw/zinc/95/23/63/134952363.db2.gz LKNOFBANYRZBCT-SFHVURJKSA-N 1 0 286.419 2.332 10 0 CEAERO COc1cncc(N2CCC[C@H](C[NH2+]C(C)(C)C)C2)n1 ZINC000071176934 134959865 /nfs/dbraw/zinc/95/98/65/134959865.db2.gz DQDLNJPBDZRPSM-GFCCVEGCSA-N 1 0 278.400 2.090 10 0 CEAERO C[C@H]1CN(c2ccccc2OC(F)F)[C@@H](C)C[NH2+]1 ZINC000083415179 135020071 /nfs/dbraw/zinc/02/00/71/135020071.db2.gz CUYDDTQONBXMOE-UWVGGRQHSA-N 1 0 256.296 2.475 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)N1CCSc2ccccc21 ZINC000085371870 135036534 /nfs/dbraw/zinc/03/65/34/135036534.db2.gz QHPIGMUHAXHXAW-QWRGUYRKSA-N 1 0 262.378 2.253 10 0 CEAERO Cc1ccc2c(c1)CCCN2C(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085357312 135036573 /nfs/dbraw/zinc/03/65/73/135036573.db2.gz JOXAORJVGPJFMX-UONOGXRCSA-N 1 0 258.365 2.402 10 0 CEAERO Cc1ccc2c(c1)CCCN2C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085357310 135036605 /nfs/dbraw/zinc/03/66/05/135036605.db2.gz JOXAORJVGPJFMX-ZIAGYGMSSA-N 1 0 258.365 2.402 10 0 CEAERO C[C@@H]1C[NH2+][C@H](Cc2ccccc2)CN1c1cccnc1 ZINC000086151468 135039172 /nfs/dbraw/zinc/03/91/72/135039172.db2.gz NJVYOBVIKBVUQU-GDBMZVCRSA-N 1 0 267.376 2.491 10 0 CEAERO COc1cc(F)ccc1N1CC[NH2+][C@@H](C2CC2)C1 ZINC000086145087 135039300 /nfs/dbraw/zinc/03/93/00/135039300.db2.gz JAHTZEIXMKTNCC-GFCCVEGCSA-N 1 0 250.317 2.023 10 0 CEAERO C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCCO2)c2ccccc21 ZINC000087203573 135049282 /nfs/dbraw/zinc/04/92/82/135049282.db2.gz PFLXDTHKLWWPKZ-GXTWGEPZSA-N 1 0 274.364 2.253 10 0 CEAERO CC(C)([NH3+])C(C)(C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000087627052 135050910 /nfs/dbraw/zinc/05/09/10/135050910.db2.gz OQJKBLBUOXEHBQ-UHFFFAOYSA-N 1 0 289.423 2.099 10 0 CEAERO CCc1cc(N2CCC[C@H](C[NH2+]C3CC3)C2)nc(C)n1 ZINC000088760889 135057237 /nfs/dbraw/zinc/05/72/37/135057237.db2.gz WLDJNQOMHJYIJB-CYBMUJFWSA-N 1 0 274.412 2.316 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1nccs1 ZINC000089732674 135060378 /nfs/dbraw/zinc/06/03/78/135060378.db2.gz KBUWNVHKSSUXBF-VXGBXAGGSA-N 1 0 289.408 2.253 10 0 CEAERO CCCn1cncc1CN1C[C@@H]([NH3+])Cc2ccccc21 ZINC000090236431 135063104 /nfs/dbraw/zinc/06/31/04/135063104.db2.gz MGEJVSTXKYCBLA-AWEZNQCLSA-N 1 0 270.380 2.183 10 0 CEAERO Cc1cnc(N2CCC(C[NH+]3CCCC3)CC2)c(N)c1 ZINC000090691255 135064222 /nfs/dbraw/zinc/06/42/22/135064222.db2.gz RQQAQLRQPWTOBP-UHFFFAOYSA-N 1 0 274.412 2.284 10 0 CEAERO CCOc1ncnc(N2CCC[C@@H](C[NH2+]C3CC3)C2)c1C ZINC000090789904 135065648 /nfs/dbraw/zinc/06/56/48/135065648.db2.gz MKSOYCXDCWSZCS-ZDUSSCGKSA-N 1 0 290.411 2.152 10 0 CEAERO C[C@@H](O)c1c(F)cccc1N1CCC[C@H]([NH+](C)C)C1 ZINC000091392107 135068451 /nfs/dbraw/zinc/06/84/51/135068451.db2.gz VNIOZONFRNCGGP-NEPJUHHUSA-N 1 0 266.360 2.409 10 0 CEAERO C[C@@H]1CCc2ccccc2N1c1cncc(C[NH3+])n1 ZINC000091418478 135069541 /nfs/dbraw/zinc/06/95/41/135069541.db2.gz ACJCBUXQZLEQFW-LLVKDONJSA-N 1 0 254.337 2.408 10 0 CEAERO Cc1cnc(Cl)nc1N1CC[NH+](CC(C)C)CC1 ZINC000091658970 135072908 /nfs/dbraw/zinc/07/29/08/135072908.db2.gz FRQDFWCBUOSIGN-UHFFFAOYSA-N 1 0 268.792 2.216 10 0 CEAERO Cc1cccc2c1N(C(=O)[C@@H]1C=C[C@H]([NH3+])C1)CCC2 ZINC000092206768 135075911 /nfs/dbraw/zinc/07/59/11/135075911.db2.gz NYLKDJWFFWRJPE-KGLIPLIRSA-N 1 0 256.349 2.178 10 0 CEAERO C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCSc2ccccc21 ZINC000092955999 135077531 /nfs/dbraw/zinc/07/75/31/135077531.db2.gz RVKGMMGNFCAJJZ-MNOVXSKESA-N 1 0 262.378 2.123 10 0 CEAERO C[NH2+]C[C@@H](C)[C@@H](C)N1CCN(c2cccc(C)c2)CC1 ZINC000093068440 135079108 /nfs/dbraw/zinc/07/91/08/135079108.db2.gz PRYFMRXYUCMSHF-HZPDHXFCSA-N 1 0 275.440 2.361 10 0 CEAERO [NH3+][C@H]1CCC[C@@H](Nc2ccc(N3CCOCC3)cc2)C1 ZINC000093210404 135079660 /nfs/dbraw/zinc/07/96/60/135079660.db2.gz XKZSHOPMMDWLLH-DZGCQCFKSA-N 1 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FCOBLJTVGIWLJE-RKDXNWHRSA-N 1 0 289.301 2.173 10 0 CEAERO C[C@@H](O)c1ccccc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094439803 135087817 /nfs/dbraw/zinc/08/78/17/135087817.db2.gz IXMMKCDNENOTGX-ZIAGYGMSSA-N 1 0 260.381 2.414 10 0 CEAERO COc1cc2c(cc1C[NH2+][C@@H]1CCC[C@@H](O)C1)O[C@@H](C)C2 ZINC000219464070 394460288 /nfs/dbraw/zinc/46/02/88/394460288.db2.gz IKTDYMZVPJUUPI-NILFDRSVSA-N 1 0 291.391 2.412 10 0 CEAERO O=C(CC[N@@H+]1CCO[C@H]2CCCC[C@@H]21)NC1CCCC1 ZINC000052441769 394558302 /nfs/dbraw/zinc/55/83/02/394558302.db2.gz ZLNPTKYTBUOMDH-GJZGRUSLSA-N 1 0 280.412 2.079 10 0 CEAERO CC(C)OCC[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253088163 394575345 /nfs/dbraw/zinc/57/53/45/394575345.db2.gz FAEGZKYIQWGUNS-KFWWJZLASA-N 1 0 255.402 2.427 10 0 CEAERO CC(C)c1nccnc1N[C@H](C)C[N@H+](C)C(C)C ZINC000413314029 394524419 /nfs/dbraw/zinc/52/44/19/394524419.db2.gz SPTKJSCBXSLRJO-GFCCVEGCSA-N 1 0 250.390 2.163 10 0 CEAERO C[C@H]1C[C@H](CC[N@@H+]2CCN3C(=O)NC[C@H]3C2)C[C@@H](C)C1 ZINC000247269666 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CEAERO C=COCCC[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000020197811 171061911 /nfs/dbraw/zinc/06/19/11/171061911.db2.gz WLTPYDFSYJGSPS-UHFFFAOYSA-N 1 0 258.321 2.168 10 0 CEAERO CCc1nnc([C@H](C[NH3+])Cc2ccc(CC)cc2)o1 ZINC000020222324 171085358 /nfs/dbraw/zinc/08/53/58/171085358.db2.gz OCHRKOJPDHKAST-ZDUSSCGKSA-N 1 0 259.353 2.479 10 0 CEAERO [NH3+]CCCN(C(=O)COc1ccccc1)c1ccccc1 ZINC000020232370 171094453 /nfs/dbraw/zinc/09/44/53/171094453.db2.gz FBCWSPMVKGZHII-UHFFFAOYSA-N 1 0 284.359 2.447 10 0 CEAERO CCCC(=O)N(CCC[NH3+])c1ccccc1OC ZINC000020233543 171095609 /nfs/dbraw/zinc/09/56/09/171095609.db2.gz UHHWXWZDCLNWHM-UHFFFAOYSA-N 1 0 250.342 2.177 10 0 CEAERO COc1cccc(N(CC[NH3+])Cc2cccnc2)c1 ZINC000020238665 171097196 /nfs/dbraw/zinc/09/71/96/171097196.db2.gz VVUUQTNEKXFKOX-UHFFFAOYSA-N 1 0 257.337 2.056 10 0 CEAERO CCOc1ccccc1[C@@H](C[NH3+])N1CCSCC1 ZINC000020257043 171111690 /nfs/dbraw/zinc/11/16/90/171111690.db2.gz VMXPBPKXKJXCIP-CYBMUJFWSA-N 1 0 266.410 2.134 10 0 CEAERO C[C@H]1CC[C@@H](C(=O)N(C)Cc2cccc(F)c2)C[NH2+]1 ZINC000020293378 171134355 /nfs/dbraw/zinc/13/43/55/171134355.db2.gz NUMIRKXNEKOMCG-WCQYABFASA-N 1 0 264.344 2.172 10 0 CEAERO C[C@H]1CC[C@H](C(=O)N(C)Cc2cccc(F)c2)C[NH2+]1 ZINC000020293381 171134612 /nfs/dbraw/zinc/13/46/12/171134612.db2.gz NUMIRKXNEKOMCG-AAEUAGOBSA-N 1 0 264.344 2.172 10 0 CEAERO CC(C)[NH+](CCNCC(=O)NCc1ccccc1)C(C)C ZINC000020303271 171140118 /nfs/dbraw/zinc/14/01/18/171140118.db2.gz VLRAHDGYMHOPIZ-UHFFFAOYSA-N 1 0 291.439 2.011 10 0 CEAERO CC[C@H]([NH3+])c1ccc(O[C@@H](C)C(=O)NC(C)C)cc1 ZINC000020419575 171184480 /nfs/dbraw/zinc/18/44/80/171184480.db2.gz DFRZTBOILJHYPR-FZMZJTMJSA-N 1 0 264.369 2.388 10 0 CEAERO CC[C@H]([NH3+])c1ccccc1O[C@@H](C)C(=O)NC1CC1 ZINC000020419919 171184946 /nfs/dbraw/zinc/18/49/46/171184946.db2.gz XEZSRSZESBNOSD-GWCFXTLKSA-N 1 0 262.353 2.142 10 0 CEAERO CCN(CC)C(=O)[C@H](C)Oc1ccc([C@@H](C)[NH3+])cc1OC ZINC000020419823 171185366 /nfs/dbraw/zinc/18/53/66/171185366.db2.gz CAUSXIUGDGWPNP-NEPJUHHUSA-N 1 0 294.395 2.351 10 0 CEAERO COc1cc([C@@H](C)[NH3+])ccc1O[C@H](C)C(=O)NCC(C)C ZINC000020419872 171185376 /nfs/dbraw/zinc/18/53/76/171185376.db2.gz PDRPQDFSICUPHM-VXGBXAGGSA-N 1 0 294.395 2.254 10 0 CEAERO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2cccc3ccccc32)C1 ZINC000284631022 196100190 /nfs/dbraw/zinc/10/01/90/196100190.db2.gz STAYXOMCRDURNX-JKSUJKDBSA-N 1 0 271.360 2.421 10 0 CEAERO CCCC[NH+](CCCC)[C@]1(CN)CN2CCC1CC2 ZINC000020484851 171224475 /nfs/dbraw/zinc/22/44/75/171224475.db2.gz RKJNGJCLCXPLQN-MRXNPFEDSA-N 1 0 267.461 2.312 10 0 CEAERO CSc1ccc([C@H](C[NH3+])N2CCSCC2)cc1 ZINC000020523758 171236449 /nfs/dbraw/zinc/23/64/49/171236449.db2.gz DCKHNEDFDWNLPB-ZDUSSCGKSA-N 1 0 268.451 2.457 10 0 CEAERO Cc1ccc(NC(=O)C[NH2+]Cc2cccnc2)cc1 ZINC000020549517 171246456 /nfs/dbraw/zinc/24/64/56/171246456.db2.gz CMRWYIKOLNDEMO-UHFFFAOYSA-N 1 0 255.321 2.118 10 0 CEAERO Cc1c(N)cccc1NC(=O)CCC[N@@H+]1CCO[C@@H](C)C1 ZINC000022151606 171358859 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ZINC000022215528 171375382 /nfs/dbraw/zinc/37/53/82/171375382.db2.gz YBJOZNYCKQBZFR-XJKCOSOUSA-N 1 0 290.407 2.465 10 0 CEAERO CC(C)(CO)[NH2+]CC(=O)Nc1c(Cl)cccc1Cl ZINC000035159921 172018015 /nfs/dbraw/zinc/01/80/15/172018015.db2.gz RJSZOMNXIUJJCF-UHFFFAOYSA-N 1 0 291.178 2.292 10 0 CEAERO CC[N@H+](C1CCCCC1)[C@@]1(CN)CN2CCC1CC2 ZINC000035221572 172063695 /nfs/dbraw/zinc/06/36/95/172063695.db2.gz UQOZJXOHNPMCQX-INIZCTEOSA-N 1 0 265.445 2.064 10 0 CEAERO [NH3+][C@H](CO)c1nc2ccccc2n1-c1ccccc1 ZINC000035411604 172182677 /nfs/dbraw/zinc/18/26/77/172182677.db2.gz BJEZXUAWERSXBV-GFCCVEGCSA-N 1 0 253.305 2.018 10 0 CEAERO CCCN(c1nc2sccn2c1C[NH3+])C1CC1 ZINC000035430163 172198944 /nfs/dbraw/zinc/19/89/44/172198944.db2.gz UICNZJQUENRYFS-UHFFFAOYSA-N 1 0 250.371 2.233 10 0 CEAERO COc1ccccc1[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH3+] ZINC000035571729 172267408 /nfs/dbraw/zinc/26/74/08/172267408.db2.gz KBMATORPRKJBNN-QWHCGFSZSA-N 1 0 292.379 2.357 10 0 CEAERO Cc1ccc(O[C@@H]2CCCCNC2=O)c([C@H](C)[NH3+])c1 ZINC000035629397 172309848 /nfs/dbraw/zinc/30/98/48/172309848.db2.gz OXIZHDAAMFMYSW-SMDDNHRTSA-N 1 0 262.353 2.062 10 0 CEAERO Cc1cc(C)nc(N(C)Cc2cccc(C[NH3+])c2)n1 ZINC000035676081 172346676 /nfs/dbraw/zinc/34/66/76/172346676.db2.gz IZLPBFDUEFDNOD-UHFFFAOYSA-N 1 0 256.353 2.189 10 0 CEAERO CC[C@H](C)N(CC)S(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000035679482 172350547 /nfs/dbraw/zinc/35/05/47/172350547.db2.gz BWJFWZGLKUAITO-JTQLQIEISA-N 1 0 290.454 2.058 10 0 CEAERO CCC(CC)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccncc1 ZINC000035693345 172362427 /nfs/dbraw/zinc/36/24/27/172362427.db2.gz QSYUQPIBYSVKTG-RYUDHWBXSA-N 1 0 263.385 2.426 10 0 CEAERO C[C@H]([NH2+]CC(=O)Nc1cccc(Cl)c1)[C@H]1CCCO1 ZINC000035735817 172388560 /nfs/dbraw/zinc/38/85/60/172388560.db2.gz QFQFPHFETRRDHJ-GXFFZTMASA-N 1 0 282.771 2.436 10 0 CEAERO Cc1ccc(C)c(C(=O)N2[C@H](C)C[C@H]3C[NH2+]C[C@@H]32)c1 ZINC000036259843 172552967 /nfs/dbraw/zinc/55/29/67/172552967.db2.gz NXFFRSHYETXAAT-IPYPFGDCSA-N 1 0 258.365 2.126 10 0 CEAERO [NH3+][C@H]1C[C@@H]1Nc1ncc(C(F)(F)F)cc1Cl ZINC000036267749 172562783 /nfs/dbraw/zinc/56/27/83/172562783.db2.gz ZNTCVDPWOBOLMN-BQBZGAKWSA-N 1 0 251.639 2.265 10 0 CEAERO CC(C)=CC[N@H+]1CCC[C@](O)(c2cn(C(C)C)nn2)C1 ZINC000285614918 196344164 /nfs/dbraw/zinc/34/41/64/196344164.db2.gz VPEMHXAXUVYTHH-OAHLLOKOSA-N 1 0 278.400 2.109 10 0 CEAERO Cc1nn(C)c(C)c1C[NH2+][C@H](CC(C)C)CN(C)C ZINC000037166565 173000172 /nfs/dbraw/zinc/00/01/72/173000172.db2.gz FKJVKQXTYWQQED-CQSZACIVSA-N 1 0 266.433 2.103 10 0 CEAERO COCCc1ccc(O[C@H](C[NH3+])C(F)(F)F)cc1 ZINC000037170178 173004749 /nfs/dbraw/zinc/00/47/49/173004749.db2.gz VMZJMQJYHVHOBQ-LLVKDONJSA-N 1 0 263.259 2.144 10 0 CEAERO [NH3+][C@@H](Cc1c[nH]cn1)c1nc2cc(F)ccc2s1 ZINC000037205188 173027183 /nfs/dbraw/zinc/02/71/83/173027183.db2.gz AWXZCLHYTYQLMX-VIFPVBQESA-N 1 0 262.313 2.401 10 0 CEAERO CO[C@H]1C[NH2+][C@H](c2nc3cc(F)ccc3s2)C1 ZINC000037205133 173027655 /nfs/dbraw/zinc/02/76/55/173027655.db2.gz PWPGGJIZUWAGER-SCZZXKLOSA-N 1 0 252.314 2.485 10 0 CEAERO CC[NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000037242386 173058691 /nfs/dbraw/zinc/05/86/91/173058691.db2.gz XFJZUTOESNKSIC-SNVBAGLBSA-N 1 0 256.296 2.476 10 0 CEAERO COc1nc2sccn2c1C[NH2+]CC1CCC1 ZINC000037253669 173064694 /nfs/dbraw/zinc/06/46/94/173064694.db2.gz FSWQERJQXVECOD-UHFFFAOYSA-N 1 0 251.355 2.294 10 0 CEAERO CNC(=O)C[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000037254188 173065037 /nfs/dbraw/zinc/06/50/37/173065037.db2.gz XMYWJYZTWJVIEJ-ZDUSSCGKSA-N 1 0 252.383 2.315 10 0 CEAERO CC(C)C[C@@H](C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000037265154 173074030 /nfs/dbraw/zinc/07/40/30/173074030.db2.gz VLHHNGGDSVGCDP-RFGFWPKPSA-N 1 0 252.402 2.458 10 0 CEAERO C[C@H]([NH2+][C@]1(C)CCS(=O)(=O)C1)C1CCCCC1 ZINC000037276278 173087282 /nfs/dbraw/zinc/08/72/82/173087282.db2.gz XXSBDAQJOUPYST-WCQYABFASA-N 1 0 259.415 2.122 10 0 CEAERO COCCOc1ccc(C(N)=[NH2+])c(C(F)(F)F)c1 ZINC000037306758 173110336 /nfs/dbraw/zinc/11/03/36/173110336.db2.gz IXFPZLWFDIGZPS-UHFFFAOYSA-N 1 0 262.231 2.015 10 0 CEAERO CC(C)[NH2+]C[C@@H](O)CSc1ccc(F)cc1F ZINC000037381950 173168198 /nfs/dbraw/zinc/16/81/98/173168198.db2.gz VNOVDLWHYNLTED-SNVBAGLBSA-N 1 0 261.337 2.416 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)Nc1ccc(OC)cc1OC ZINC000037386484 173169446 /nfs/dbraw/zinc/16/94/46/173169446.db2.gz IBYOWCKPNCGSDJ-JTQLQIEISA-N 1 0 266.341 2.030 10 0 CEAERO Cc1ccc(NC(=O)C[NH2+]C2CC2)c(Br)c1 ZINC000037386716 173169572 /nfs/dbraw/zinc/16/95/72/173169572.db2.gz CUAYMTDCBYLIMJ-UHFFFAOYSA-N 1 0 283.169 2.448 10 0 CEAERO CCCn1c2ccc(Cl)cc2nc1[C@@H]([NH3+])CO ZINC000037440580 173210227 /nfs/dbraw/zinc/21/02/27/173210227.db2.gz YUHQSNSVHHVOSD-VIFPVBQESA-N 1 0 253.733 2.092 10 0 CEAERO C[C@@H](O)[C@@H]([NH3+])c1nc2cc(Cl)ccc2n1C1CC1 ZINC000037440809 173210577 /nfs/dbraw/zinc/21/05/77/173210577.db2.gz CJDGUUPKHUSMFN-JMCQJSRRSA-N 1 0 265.744 2.405 10 0 CEAERO CCCn1c2c(cccc2Cl)nc1[C@H]([NH3+])[C@@H](C)O ZINC000037444138 173211745 /nfs/dbraw/zinc/21/17/45/173211745.db2.gz QYPFSFJGEBNZAS-LDYMZIIASA-N 1 0 267.760 2.480 10 0 CEAERO CC[C@]([NH2+]C(C)C)(C(N)=O)c1ccc(Cl)cc1 ZINC000037446457 173213496 /nfs/dbraw/zinc/21/34/96/173213496.db2.gz URTXGNCYBKOEFM-CYBMUJFWSA-N 1 0 254.761 2.429 10 0 CEAERO C[C@@H]([NH3+])CC(=O)Nc1c(F)cc(F)cc1Br ZINC000037476113 173228072 /nfs/dbraw/zinc/22/80/72/173228072.db2.gz QWKXIKXOYGMZDH-RXMQYKEDSA-N 1 0 293.111 2.403 10 0 CEAERO Cc1ccc(Br)cc1N1CC[C@@H]([NH3+])C1 ZINC000037483696 173228793 /nfs/dbraw/zinc/22/87/93/173228793.db2.gz RINBXDQVLBDXMI-SNVBAGLBSA-N 1 0 255.159 2.295 10 0 CEAERO [NH3+]CCS(=O)(=O)N(C1CCCCC1)C1CCCCC1 ZINC000037513203 173244242 /nfs/dbraw/zinc/24/42/42/173244242.db2.gz ZOLPQRYIRMHKHY-UHFFFAOYSA-N 1 0 288.457 2.242 10 0 CEAERO CCC(=O)Nc1cccc(NC(=O)C[C@@H](C)[NH3+])c1C ZINC000037608684 173557189 /nfs/dbraw/zinc/55/71/89/173557189.db2.gz QZQNINDZTPWOBW-SECBINFHSA-N 1 0 263.341 2.019 10 0 CEAERO Cc1cn2c(C[NH2+]C[C@H]3CCOC3)c(C)nc2s1 ZINC000037738635 173659002 /nfs/dbraw/zinc/65/90/02/173659002.db2.gz SEOZCWUYPHSUSI-LLVKDONJSA-N 1 0 265.382 2.139 10 0 CEAERO CCOC(=O)[C@@H](C[NH3+])Cc1ccc(OC(C)C)cc1 ZINC000037742852 173664328 /nfs/dbraw/zinc/66/43/28/173664328.db2.gz APPMPKXFNBOZJI-CYBMUJFWSA-N 1 0 265.353 2.154 10 0 CEAERO Cc1nn(C(C)C)c(C)c1NC(=O)[C@@H]([NH3+])CC(C)C ZINC000037771069 173703284 /nfs/dbraw/zinc/70/32/84/173703284.db2.gz CKHNMAYZFCRFDK-LBPRGKRZSA-N 1 0 266.389 2.393 10 0 CEAERO C[C@@H](CN1CCCC1=O)[NH2+]C1[C@H](C)CCC[C@@H]1C ZINC000037782288 173713284 /nfs/dbraw/zinc/71/32/84/173713284.db2.gz DUSORMWMFNXUOK-SXBYAPGRSA-N 1 0 252.402 2.412 10 0 CEAERO Cc1ccc(CN(C(=O)[C@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000037809002 173752420 /nfs/dbraw/zinc/75/24/20/173752420.db2.gz JVNZJXUWHJGJEZ-OAHLLOKOSA-N 1 0 258.365 2.238 10 0 CEAERO CCCN(CC(F)(F)F)C(=O)C1CCC([NH3+])CC1 ZINC000037812141 173757767 /nfs/dbraw/zinc/75/77/67/173757767.db2.gz COWALFIOELJGKN-UHFFFAOYSA-N 1 0 266.307 2.305 10 0 CEAERO C[C@@H](c1ccncc1)N(C)C(=O)C1CCC([NH3+])CC1 ZINC000037823993 173779013 /nfs/dbraw/zinc/77/90/13/173779013.db2.gz SQIPTCLDMRMFFZ-XGNXJENSSA-N 1 0 261.369 2.119 10 0 CEAERO CCOC(=O)CC[C@@H]([NH3+])c1c(F)cc(OC)cc1F ZINC000037903808 173835153 /nfs/dbraw/zinc/83/51/53/173835153.db2.gz FBFDYYYOBIZPSN-LLVKDONJSA-N 1 0 273.279 2.317 10 0 CEAERO CCC[NH+]1CCC([NH2+]C2CCCCC2)(C(=O)[O-])CC1 ZINC000037971582 173923108 /nfs/dbraw/zinc/92/31/08/173923108.db2.gz SMUOALVBNUBZDV-UHFFFAOYSA-N 1 0 268.401 2.238 10 0 CEAERO Cc1cc2ncnn2c(N(CC[NH3+])Cc2ccccc2)c1 ZINC000038033114 174029878 /nfs/dbraw/zinc/02/98/78/174029878.db2.gz UDWFOJQVRYTQMT-UHFFFAOYSA-N 1 0 281.363 2.003 10 0 CEAERO C[NH+](C)C1CCN(c2c(F)cc(N)cc2F)CC1 ZINC000038040173 174040521 /nfs/dbraw/zinc/04/05/21/174040521.db2.gz WLZWTPFMBNLOQN-UHFFFAOYSA-N 1 0 255.312 2.077 10 0 CEAERO CCCn1c2ccccc2nc1CNC[C@@H]1CC[N@H+](C)C1 ZINC000038046861 174055733 /nfs/dbraw/zinc/05/57/33/174055733.db2.gz FLKOHKXSNRDBRV-AWEZNQCLSA-N 1 0 286.423 2.488 10 0 CEAERO COc1ccc([C@@H](C[NH3+])N(C)C)cc1Br ZINC000038052082 174063615 /nfs/dbraw/zinc/06/36/15/174063615.db2.gz WEKAOUUYDAETJH-SNVBAGLBSA-N 1 0 273.174 2.019 10 0 CEAERO CC(C)C[N@@H+]1CCO[C@@H](COc2cccc(N)c2)C1 ZINC000038054931 174066456 /nfs/dbraw/zinc/06/64/56/174066456.db2.gz ZCDZFLDJDIEHKS-OAHLLOKOSA-N 1 0 264.369 2.004 10 0 CEAERO COC(=O)c1ccccc1C[NH2+]CC[C@H]1CCCO1 ZINC000038096200 174110224 /nfs/dbraw/zinc/11/02/24/174110224.db2.gz ONSMPRQFZSNZRE-CYBMUJFWSA-N 1 0 263.337 2.132 10 0 CEAERO CC(C)[C@@H]([NH3+])C(=O)N1CCc2sccc2[C@@H]1C ZINC000038100846 174115996 /nfs/dbraw/zinc/11/59/96/174115996.db2.gz HOKIYNZJIWOBAY-JOYOIKCWSA-N 1 0 252.383 2.177 10 0 CEAERO CC(C)(C)C[NH2+]C[C@@H](O)c1ccc2c(c1)OCCO2 ZINC000040493152 174292869 /nfs/dbraw/zinc/29/28/69/174292869.db2.gz JIIGCGJQMKPBCT-GFCCVEGCSA-N 1 0 265.353 2.127 10 0 CEAERO Cc1ccc(OC[C@@H](C)[NH2+][C@H]2CCCCNC2=O)cc1 ZINC000040499924 174296518 /nfs/dbraw/zinc/29/65/18/174296518.db2.gz ZVKVCOMOMDXVJW-HIFRSBDPSA-N 1 0 276.380 2.021 10 0 CEAERO CCCO[C@H]1CCCN(C(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000040501284 174297525 /nfs/dbraw/zinc/29/75/25/174297525.db2.gz HSXIXQQBSMMCPA-LSDHHAIUSA-N 1 0 276.380 2.104 10 0 CEAERO CCN1CCC[C@H]([NH2+]Cc2ccc(OC)c(OC)c2)C1 ZINC000040502007 174297899 /nfs/dbraw/zinc/29/78/99/174297899.db2.gz JLVCKIXZFKMVCF-AWEZNQCLSA-N 1 0 278.396 2.278 10 0 CEAERO CCN1CCC[C@H]([NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000040502943 174299384 /nfs/dbraw/zinc/29/93/84/174299384.db2.gz JWFMGZXZZKVLKZ-ZDUSSCGKSA-N 1 0 293.377 2.087 10 0 CEAERO Cc1cc(C)c(C(N)=[NH2+])c(-n2cnc3ccccc32)n1 ZINC000040515146 174306404 /nfs/dbraw/zinc/30/64/04/174306404.db2.gz GKKRZMDLVLOJHY-UHFFFAOYSA-N 1 0 265.320 2.321 10 0 CEAERO CCOc1cc(CN2CCC[C@@H](C[NH2+]C)C2)ccc1O ZINC000040591805 174347895 /nfs/dbraw/zinc/34/78/95/174347895.db2.gz NAKIGEXWJJQKSE-AWEZNQCLSA-N 1 0 278.396 2.222 10 0 CEAERO CC(=O)NC[C@H](c1ccco1)[NH+]1CCCCCC1 ZINC000040614364 174353624 /nfs/dbraw/zinc/35/36/24/174353624.db2.gz ZEZWMKUOUGURIK-CYBMUJFWSA-N 1 0 250.342 2.333 10 0 CEAERO CCCCc1ccc(NC(=O)[C@@H]2C[C@@H](OC)C[NH2+]2)cc1 ZINC000040631701 174358337 /nfs/dbraw/zinc/35/83/37/174358337.db2.gz UYIJREVVJBIEGA-CABCVRRESA-N 1 0 276.380 2.345 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2ccccc2OCC(C)C)C1 ZINC000040634337 174360305 /nfs/dbraw/zinc/36/03/05/174360305.db2.gz AATNXALPLWFROP-JSGCOSHPSA-N 1 0 292.379 2.037 10 0 CEAERO CCOc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000040634373 174360463 /nfs/dbraw/zinc/36/04/63/174360463.db2.gz BJBXDTWATKKXPO-CMPLNLGQSA-N 1 0 298.770 2.054 10 0 CEAERO COc1ccc(-c2c[nH]c([C@@H]3C[C@H](OC)C[NH2+]3)n2)cc1 ZINC000040637883 174362058 /nfs/dbraw/zinc/36/20/58/174362058.db2.gz ZZXGEUULKASWIA-STQMWFEESA-N 1 0 273.336 2.135 10 0 CEAERO Cc1ncsc1[C@@H](C)[NH2+]CCc1nccn1C ZINC000040639358 174363608 /nfs/dbraw/zinc/36/36/08/174363608.db2.gz BLTPCDQEPMUDED-SECBINFHSA-N 1 0 250.371 2.078 10 0 CEAERO C[C@H]1CCC[C@@](C[NH2+]C[C@@H]2CCOC2)(N(C)C)C1 ZINC000040668420 174367278 /nfs/dbraw/zinc/36/72/78/174367278.db2.gz PXMPOCPSOKPNNL-SOUVJXGZSA-N 1 0 254.418 2.123 10 0 CEAERO Cc1nnc(N[C@@H]2CCC[N@@H+](C)C2)c2ccccc12 ZINC000040673445 174372050 /nfs/dbraw/zinc/37/20/50/174372050.db2.gz AQGSAJUEDQMGMD-GFCCVEGCSA-N 1 0 256.353 2.444 10 0 CEAERO CCOC1CC[NH+](Cc2cc(F)ccc2N)CC1 ZINC000040678350 174374271 /nfs/dbraw/zinc/37/42/71/174374271.db2.gz YYJAHYBSLQBBAB-UHFFFAOYSA-N 1 0 252.333 2.409 10 0 CEAERO CCOC1CCN([C@@H](C[NH3+])c2ccccc2C)CC1 ZINC000040689101 174375734 /nfs/dbraw/zinc/37/57/34/174375734.db2.gz MJHMZAAFAVWCIK-INIZCTEOSA-N 1 0 262.397 2.496 10 0 CEAERO Cc1ccc(C)c(Nc2nc[nH+]c(NN(C)C)c2N)c1 ZINC000040704498 174378989 /nfs/dbraw/zinc/37/89/89/174378989.db2.gz COZISXDSAPOACQ-UHFFFAOYSA-N 1 0 272.356 2.308 10 0 CEAERO COc1ccccc1C[C@@](C)(CN)[N@@H+]1CC[C@@H](C)C1 ZINC000040717130 174384363 /nfs/dbraw/zinc/38/43/63/174384363.db2.gz BGVYMGMNRRMPBG-CJNGLKHVSA-N 1 0 262.397 2.297 10 0 CEAERO Cc1cc(=O)n(C[C@H]([NH3+])c2cccc3ccccc32)cn1 ZINC000040728137 174387864 /nfs/dbraw/zinc/38/78/64/174387864.db2.gz PHUNBTQHLONCJL-INIZCTEOSA-N 1 0 279.343 2.405 10 0 CEAERO Cc1nn([C@H]2COc3ccccc3[C@H]2[NH3+])c(C)c1C ZINC000040729838 174388394 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CCO[C@@H]1CN(c2ccc3ccccc3n2)C[C@H]1C[NH3+] ZINC000405361710 414794470 /nfs/dbraw/zinc/79/44/70/414794470.db2.gz CRQXTLHYWDWASO-UKRRQHHQSA-N 1 0 271.364 2.035 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)NC(C)(C1CC1)C1CC1 ZINC000662916042 414801672 /nfs/dbraw/zinc/80/16/72/414801672.db2.gz SLNMDYUFLAQFMH-ZWNOBZJWSA-N 1 0 250.386 2.069 10 0 CEAERO Cc1c[nH]c(CN[C@@H](C[NH+](C)C)c2ccccc2)n1 ZINC000657298020 414841474 /nfs/dbraw/zinc/84/14/74/414841474.db2.gz SEIBZRSDVLDRRO-AWEZNQCLSA-N 1 0 258.369 2.111 10 0 CEAERO CSc1cccc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)c1 ZINC000660480380 414842719 /nfs/dbraw/zinc/84/27/19/414842719.db2.gz UCQZANDADWTRTM-MFKMUULPSA-N 1 0 264.394 2.165 10 0 CEAERO [NH3+]C[C@]12CCC[C@H]1CN(c1ncc(Cl)cc1F)C2 ZINC000311020060 414857469 /nfs/dbraw/zinc/85/74/69/414857469.db2.gz QTNXSHQCYOUZOB-ZANVPECISA-N 1 0 269.751 2.439 10 0 CEAERO Cc1ccc(NC(=O)CN(C)c2cc[nH+]cc2N)cc1 ZINC000042141554 174641528 /nfs/dbraw/zinc/64/15/28/174641528.db2.gz DFSAJLLGUPCCJP-UHFFFAOYSA-N 1 0 270.336 2.047 10 0 CEAERO Cc1nc(C)c([C@H](C)NC(=O)C[C@@H]2CCC[NH2+]2)s1 ZINC000042171151 174651059 /nfs/dbraw/zinc/65/10/59/174651059.db2.gz PTHWPXNLNFWOHF-ONGXEEELSA-N 1 0 267.398 2.079 10 0 CEAERO [NH3+]CCN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000042173846 174652308 /nfs/dbraw/zinc/65/23/08/174652308.db2.gz MYULFICZWUQSEU-ARFHVFGLSA-N 1 0 272.392 2.410 10 0 CEAERO C[C@@H]([N@H+](C)Cc1cnc2ccccc2n1)C(C)(C)O ZINC000660677117 414930155 /nfs/dbraw/zinc/93/01/55/414930155.db2.gz PLDMMDHEVPVVSM-LLVKDONJSA-N 1 0 259.353 2.221 10 0 CEAERO Cn1cc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])c2ccccc21 ZINC000653052348 414887453 /nfs/dbraw/zinc/88/74/53/414887453.db2.gz BPMBKYDPNUTOQH-SMDDNHRTSA-N 1 0 271.364 2.036 10 0 CEAERO CC(C)[C@H]([NH3+])CCNc1ncnc2sccc21 ZINC000663275329 414901215 /nfs/dbraw/zinc/90/12/15/414901215.db2.gz DYMPBWFLNHLYFA-SNVBAGLBSA-N 1 0 250.371 2.477 10 0 CEAERO Cc1occc1CN(C)[C@H](CC[NH3+])C(F)(F)F ZINC000042449250 174743014 /nfs/dbraw/zinc/74/30/14/174743014.db2.gz LJTKRSBSAJZAMJ-SNVBAGLBSA-N 1 0 250.264 2.300 10 0 CEAERO CC(C)(C)c1ccc(C[NH2+][C@@H]2CCNC2=O)s1 ZINC000657524162 414987013 /nfs/dbraw/zinc/98/70/13/414987013.db2.gz KNKUYBMXEOQLMY-SNVBAGLBSA-N 1 0 252.383 2.024 10 0 CEAERO Cc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)c(C)n1 ZINC000653446196 414997397 /nfs/dbraw/zinc/99/73/97/414997397.db2.gz TXGOBOGGRCRABR-NXEZZACHSA-N 1 0 287.285 2.035 10 0 CEAERO C[C@@H]1C[C@@H](C[NH2+]Cc2cnc3n2CCC3)C[C@H](C)O1 ZINC000657458920 414948768 /nfs/dbraw/zinc/94/87/68/414948768.db2.gz RBLMSMIEJYYTCD-CLLJXQQHSA-N 1 0 263.385 2.123 10 0 CEAERO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1ccc(Cl)cc1 ZINC000657695132 415050370 /nfs/dbraw/zinc/05/03/70/415050370.db2.gz ISAQWGOSJWPBBM-GHMZBOCLSA-N 1 0 266.772 2.469 10 0 CEAERO CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC(=O)N(C)C2)C1 ZINC000657694904 415050567 /nfs/dbraw/zinc/05/05/67/415050567.db2.gz HUEMZRWOWAOJFJ-MCIONIFRSA-N 1 0 252.402 2.269 10 0 CEAERO CN1C[C@H](C[NH2+]Cc2coc3ccccc23)CC1=O ZINC000657697046 415053246 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/nfs/dbraw/zinc/97/71/17/174977117.db2.gz BBFKICCWDYWUFS-GJZGRUSLSA-N 1 0 295.452 2.081 10 0 CEAERO C[C@@H]([NH3+])[C@@H](SCc1ccco1)c1cnn(C)c1 ZINC000043237893 174988179 /nfs/dbraw/zinc/98/81/79/174988179.db2.gz BYBYOBSEYBINLW-BXKDBHETSA-N 1 0 251.355 2.335 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccc(C)s1)N(C)CC(=O)NC1CC1 ZINC000043240391 174988957 /nfs/dbraw/zinc/98/89/57/174988957.db2.gz WLKJQLWEKXHIOF-IUODEOHRSA-N 1 0 295.452 2.045 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1ccc(Cl)s1)N1CCC(CO)CC1 ZINC000043252271 174994552 /nfs/dbraw/zinc/99/45/52/174994552.db2.gz LSXPWYQHSAWXIP-RNCFNFMXSA-N 1 0 288.844 2.494 10 0 CEAERO CC[NH2+][C@H](c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300906 175001451 /nfs/dbraw/zinc/00/14/51/175001451.db2.gz BNVXDJIKDOLZID-DGCLKSJQSA-N 1 0 287.812 2.425 10 0 CEAERO CC[NH2+][C@H](c1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000043300902 175001482 /nfs/dbraw/zinc/00/14/82/175001482.db2.gz VJXJDYLEOJEYAQ-HIFRSBDPSA-N 1 0 281.421 2.389 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000043301294 175002019 /nfs/dbraw/zinc/00/20/19/175002019.db2.gz BMGZEKUNDXSTMW-GJZGRUSLSA-N 1 0 281.421 2.032 10 0 CEAERO CCC[NH2+][C@@H](c1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043301361 175002043 /nfs/dbraw/zinc/00/20/43/175002043.db2.gz POVJDMFXHUGOIZ-HIFRSBDPSA-N 1 0 297.420 2.171 10 0 CEAERO CCOC1CCN([C@H](c2ccco2)[C@@H](C)[NH3+])CC1 ZINC000043335487 175011229 /nfs/dbraw/zinc/01/12/29/175011229.db2.gz DOOSJNDQYWAEFC-RISCZKNCSA-N 1 0 252.358 2.169 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1ccco1)n1ccc(C(F)(F)F)n1 ZINC000043336524 175012815 /nfs/dbraw/zinc/01/28/15/175012815.db2.gz ZSZXFKDSQZIOGP-XCBNKYQSSA-N 1 0 259.231 2.432 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1ccccn1)N(C)CCc1ccccn1 ZINC000043338981 175013151 /nfs/dbraw/zinc/01/31/51/175013151.db2.gz NMCODEWHHACRLT-BBRMVZONSA-N 1 0 270.380 2.039 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccccn1)n1cc(Br)cn1 ZINC000043341481 175015348 /nfs/dbraw/zinc/01/53/48/175015348.db2.gz QEPINCBMPHXMIF-CMPLNLGQSA-N 1 0 295.184 2.367 10 0 CEAERO COc1ccc(CO[C@H](C[NH3+])c2ccccn2)cc1 ZINC000043343150 175015866 /nfs/dbraw/zinc/01/58/66/175015866.db2.gz GTDFJFHCIQGQIM-OAHLLOKOSA-N 1 0 258.321 2.307 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1nccc(=O)[nH]1)c1ccccn1 ZINC000043344829 175016411 /nfs/dbraw/zinc/01/64/11/175016411.db2.gz DZXZRGYKBDZELC-JOYOIKCWSA-N 1 0 276.365 2.148 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cccnc1)N(CC)C[C@@H]1CCCO1 ZINC000043347572 175017740 /nfs/dbraw/zinc/01/77/40/175017740.db2.gz AZGSIRXMPYTSDP-XHSDSOJGSA-N 1 0 277.412 2.361 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1cccnc1)N(C)Cc1cscn1 ZINC000043348662 175018610 /nfs/dbraw/zinc/01/86/10/175018610.db2.gz WZYAXXYAPPKOAA-ZIAGYGMSSA-N 1 0 276.409 2.449 10 0 CEAERO COc1cc(C)ccc1O[C@H](C[NH3+])c1cccnc1 ZINC000043349951 175019214 /nfs/dbraw/zinc/01/92/14/175019214.db2.gz IVZSHVCEMNKQCA-OAHLLOKOSA-N 1 0 258.321 2.477 10 0 CEAERO CC[C@H]([NH3+])[C@H](OC[C@@H]1CCCO1)c1cccnc1 ZINC000043350147 175019240 /nfs/dbraw/zinc/01/92/40/175019240.db2.gz YLHXWDWPZLBWBU-MELADBBJSA-N 1 0 250.342 2.056 10 0 CEAERO C[C@H]([NH3+])[C@@H](OC[C@@H]1CCCCO1)c1cccnc1 ZINC000043350301 175019311 /nfs/dbraw/zinc/01/93/11/175019311.db2.gz XISNSHXFEKNPNO-FPMFFAJLSA-N 1 0 250.342 2.056 10 0 CEAERO C[C@H]([NH3+])[C@@H](OCCc1ccccn1)c1cccnc1 ZINC000043350954 175019746 /nfs/dbraw/zinc/01/97/46/175019746.db2.gz CWMOLMFLSQOROX-SWLSCSKDSA-N 1 0 257.337 2.124 10 0 CEAERO C[C@@H]([NH3+])[C@@H](Sc1nncs1)c1cccnc1 ZINC000043352071 175020234 /nfs/dbraw/zinc/02/02/34/175020234.db2.gz MLBDKUXAZMJBES-VXNVDRBHSA-N 1 0 252.368 2.114 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccncc1)N1CCCC[C@@H]1CCO ZINC000043353069 175020431 /nfs/dbraw/zinc/02/04/31/175020431.db2.gz OPGVBXBOUOTWIU-BZUAXINKSA-N 1 0 277.412 2.097 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccncc1)N(CC)C[C@@H]1CCCO1 ZINC000043354172 175021266 /nfs/dbraw/zinc/02/12/66/175021266.db2.gz AMEGNUVCBJWMAO-XHSDSOJGSA-N 1 0 277.412 2.361 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccncc1)N(C)C[C@@H]1CCCCO1 ZINC000043354151 175021816 /nfs/dbraw/zinc/02/18/16/175021816.db2.gz VTTJEIYVHPOQFW-HRCADAONSA-N 1 0 277.412 2.361 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1ccncc1)N(C)Cc1cscn1 ZINC000043354849 175022724 /nfs/dbraw/zinc/02/27/24/175022724.db2.gz FGAYHVQXAAJDKT-GWCFXTLKSA-N 1 0 262.382 2.058 10 0 CEAERO Cc1nnc(S[C@@H](c2ccncc2)[C@H](C)[NH3+])s1 ZINC000043363500 175023970 /nfs/dbraw/zinc/02/39/70/175023970.db2.gz DFIIIMABHTYKFW-OIBJUYFYSA-N 1 0 266.395 2.422 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1cnn(C)c1)c1ccncc1 ZINC000043363620 175023990 /nfs/dbraw/zinc/02/39/90/175023990.db2.gz XHWHPXMYASGDOP-STQMWFEESA-N 1 0 262.382 2.386 10 0 CEAERO Cc1cnc(S[C@H](c2ccncc2)[C@H](C)[NH3+])nc1 ZINC000043363607 175024085 /nfs/dbraw/zinc/02/40/85/175024085.db2.gz QEBBSTPNMZFQGW-JQWIXIFHSA-N 1 0 260.366 2.361 10 0 CEAERO Cc1ccc([C@@H]([C@H](C)[NH3+])N2CCOCC2(C)C)o1 ZINC000043364746 175025519 /nfs/dbraw/zinc/02/55/19/175025519.db2.gz UTISYESDOSDPOV-WCQYABFASA-N 1 0 252.358 2.087 10 0 CEAERO CCOC1CCN([C@@H](c2ccc(C)o2)[C@@H](C)[NH3+])CC1 ZINC000043364572 175025814 /nfs/dbraw/zinc/02/58/14/175025814.db2.gz RFKZRUJECSQEGH-IUODEOHRSA-N 1 0 266.385 2.477 10 0 CEAERO CCOC(=O)CS[C@@H](c1ccc(C)o1)[C@H](C)[NH3+] ZINC000043367623 175027801 /nfs/dbraw/zinc/02/78/01/175027801.db2.gz KPNFJSZBUCGFBB-JOYOIKCWSA-N 1 0 257.355 2.273 10 0 CEAERO CC[C@H]([NH3+])[C@@H](N1CCCSCC1)C(F)(F)F ZINC000043378213 175030411 /nfs/dbraw/zinc/03/04/11/175030411.db2.gz XJVXCVIIGKBEOU-DTWKUNHWSA-N 1 0 256.337 2.094 10 0 CEAERO CC[C@H]([NH3+])[C@@H](N(C)CCc1ccncc1)C(F)(F)F ZINC000043377894 175030418 /nfs/dbraw/zinc/03/04/18/175030418.db2.gz SZFFXIHEAZRRRW-NWDGAFQWSA-N 1 0 275.318 2.224 10 0 CEAERO C[C@H]([NH3+])[C@H](OCCCc1ccncc1)C(F)(F)F ZINC000043384885 175031840 /nfs/dbraw/zinc/03/18/40/175031840.db2.gz CFEVETHRBSFJGN-ONGXEEELSA-N 1 0 262.275 2.309 10 0 CEAERO Cc1cnc(S[C@H]([C@H](C)[NH3+])C(F)(F)F)nc1 ZINC000043386483 175032238 /nfs/dbraw/zinc/03/22/38/175032238.db2.gz IPCDMOQHQLOBLM-NKWVEPMBSA-N 1 0 251.277 2.155 10 0 CEAERO CC[NH2+][C@H](c1cc(C)cc(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043393205 175034652 /nfs/dbraw/zinc/03/46/52/175034652.db2.gz ZJCACTFUSXQYBG-ZFWWWQNUSA-N 1 0 281.421 2.389 10 0 CEAERO Cc1cc(C)cc([C@@H](C[NH3+])N(C)C[C@@H]2CCCO2)c1 ZINC000043394361 175035131 /nfs/dbraw/zinc/03/51/31/175035131.db2.gz USGXGKFAPANIFM-JKSUJKDBSA-N 1 0 262.397 2.414 10 0 CEAERO Cc1ccc(C[NH3+])c(N(CC(F)(F)F)C2CC2)n1 ZINC000043396046 175036127 /nfs/dbraw/zinc/03/61/27/175036127.db2.gz UOPXFBCKMBPTJD-UHFFFAOYSA-N 1 0 259.275 2.380 10 0 CEAERO NC(=[NH2+])c1cc2c(nc1Oc1cccnc1)CCC2 ZINC000043407070 175036996 /nfs/dbraw/zinc/03/69/96/175036996.db2.gz NQPIEPVCXAWOJJ-UHFFFAOYSA-N 1 0 254.293 2.042 10 0 CEAERO O=C1NCC[C@H]1[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000658052251 415176176 /nfs/dbraw/zinc/17/61/76/415176176.db2.gz ITJRRIIKLBPIED-UONOGXRCSA-N 1 0 269.348 2.023 10 0 CEAERO C[NH2+][C@H](c1ccc(OC)cc1)[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000043811388 175110392 /nfs/dbraw/zinc/11/03/92/175110392.db2.gz HKRQHNYVEJUPHQ-LOUJCGABSA-N 1 0 292.423 2.453 10 0 CEAERO CCN(C[C@H]([NH2+]C)c1ccc(OC)c(OC)c1)C1CC1 ZINC000043821482 175114606 /nfs/dbraw/zinc/11/46/06/175114606.db2.gz TVIZBVJKTABNEM-AWEZNQCLSA-N 1 0 278.396 2.449 10 0 CEAERO CC[NH2+][C@@H]1CCC2(C[C@H]1N(CC)CC(C)C)OCCO2 ZINC000043888213 175117871 /nfs/dbraw/zinc/11/78/71/175117871.db2.gz HJFQQAVGELMTDO-HUUCEWRRSA-N 1 0 284.444 2.238 10 0 CEAERO CC[NH2+][C@@H]1CCCCCC[C@H]1N1CCOC[C@@H]1C ZINC000043891417 175117983 /nfs/dbraw/zinc/11/79/83/175117983.db2.gz ZLRFXZBZZXBIHY-RRFJBIMHSA-N 1 0 254.418 2.408 10 0 CEAERO CCC[NH2+][C@@H](CN1CCOC[C@@H]1C)c1ccccc1OC ZINC000043891764 175118864 /nfs/dbraw/zinc/11/88/64/175118864.db2.gz FXHFYVHABBWXCB-HOCLYGCPSA-N 1 0 292.423 2.457 10 0 CEAERO C[NH2+][C@@H](CN(C)C1CCOCC1)c1ccc(C)cc1 ZINC000043898109 175121346 /nfs/dbraw/zinc/12/13/46/175121346.db2.gz HMJPTJIYKPFENJ-INIZCTEOSA-N 1 0 262.397 2.366 10 0 CEAERO CC[NH2+][C@@H](c1ccccc1)[C@@H](C)N(CCOC)CCOC ZINC000043912692 175124260 /nfs/dbraw/zinc/12/42/60/175124260.db2.gz MABAKVLGPFUXFP-NVXWUHKLSA-N 1 0 294.439 2.321 10 0 CEAERO CC[NH2+][C@H]1CCC2(C[C@@H]1N1CCC(CC)CC1)OCCO2 ZINC000043913469 175124499 /nfs/dbraw/zinc/12/44/99/175124499.db2.gz HJVROMHOPHOJFJ-HOTGVXAUSA-N 1 0 296.455 2.382 10 0 CEAERO CCC[NH2+][C@H](CN(C)CCOC)c1ccccc1OC ZINC000043916260 175124898 /nfs/dbraw/zinc/12/48/98/175124898.db2.gz BODIBADWQVATGZ-OAHLLOKOSA-N 1 0 280.412 2.314 10 0 CEAERO C[NH2+][C@@H]1CCCCC[C@H]1N(C)C[C@@H]1CCCCO1 ZINC000043966367 175128117 /nfs/dbraw/zinc/12/81/17/175128117.db2.gz RKDHHLAGFRFJOX-RRFJBIMHSA-N 1 0 254.418 2.408 10 0 CEAERO CCC[NH2+][C@H](CN(C)Cc1cnn(C)c1)C(C)(C)C ZINC000043967296 175128386 /nfs/dbraw/zinc/12/83/86/175128386.db2.gz MGTIYPJSPXEFBE-CQSZACIVSA-N 1 0 266.433 2.266 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2CC[C@@H]1N(C)Cc1cnn(C)c1 ZINC000043967203 175128550 /nfs/dbraw/zinc/12/85/50/175128550.db2.gz UCQSVCASSNUUGT-DLBZAZTESA-N 1 0 284.407 2.127 10 0 CEAERO CCC[NH2+][C@@H]1CCOC[C@H]1N(CC)Cc1ccncc1 ZINC000043968957 175130373 /nfs/dbraw/zinc/13/03/73/175130373.db2.gz FMKGQZQLTUBQLK-HZPDHXFCSA-N 1 0 277.412 2.061 10 0 CEAERO CC[NH2+][C@@H]1CCCC[C@@H]1N1CCC[C@H](OCC)C1 ZINC000043971652 175132971 /nfs/dbraw/zinc/13/29/71/175132971.db2.gz UTITXHQSPPMKFP-ZNMIVQPWSA-N 1 0 254.418 2.408 10 0 CEAERO CN(C)C(=O)CCCOc1ccc2c(c1)CCC[C@H]2[NH3+] ZINC000044732396 175241013 /nfs/dbraw/zinc/24/10/13/175241013.db2.gz DJRZSHOVEHWTCF-OAHLLOKOSA-N 1 0 276.380 2.270 10 0 CEAERO Cc1cc(N)ccc1C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000044749091 175244227 /nfs/dbraw/zinc/24/42/27/175244227.db2.gz OZVMEAPXJHBIDZ-CQSZACIVSA-N 1 0 277.412 2.283 10 0 CEAERO [NH3+]CC1(C(=O)Nc2ccc3c(c2)OCO3)CCCCC1 ZINC000044762301 175246392 /nfs/dbraw/zinc/24/63/92/175246392.db2.gz YBYMQWUSILJDEG-UHFFFAOYSA-N 1 0 276.336 2.263 10 0 CEAERO CCn1cc(NC(=O)C2(C[NH3+])CCCCCC2)cn1 ZINC000044762730 175246687 /nfs/dbraw/zinc/24/66/87/175246687.db2.gz ZJGQKZOHDLJLDZ-UHFFFAOYSA-N 1 0 264.373 2.141 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000044796040 175254732 /nfs/dbraw/zinc/25/47/32/175254732.db2.gz FMLSPIDRZDCLIL-STQMWFEESA-N 1 0 270.417 2.168 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)N(C)C[C@@H]1CCCO1 ZINC000044804560 175256380 /nfs/dbraw/zinc/25/63/80/175256380.db2.gz OOIUSACIHKVUIY-ZDUSSCGKSA-N 1 0 270.417 2.169 10 0 CEAERO CC[C@@H](NC(=O)[C@H](C[NH3+])Cc1ccccc1)C(C)C ZINC000044805645 175256561 /nfs/dbraw/zinc/25/65/61/175256561.db2.gz BIASUXUJSWSVGR-LSDHHAIUSA-N 1 0 262.397 2.355 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)N[C@@H](C)COCC ZINC000044808512 175257504 /nfs/dbraw/zinc/25/75/04/175257504.db2.gz QETPQYVWMXRXMQ-LBPRGKRZSA-N 1 0 258.406 2.073 10 0 CEAERO Cc1cc([C@@H](C)NC(=O)[C@@H](C[NH3+])C(C)C)c(C)o1 ZINC000044808555 175257599 /nfs/dbraw/zinc/25/75/99/175257599.db2.gz ZTZGWMMJUXXZRB-MFKMUULPSA-N 1 0 252.358 2.305 10 0 CEAERO CCN(C(=O)[C@@H]1CCCC[NH2+]1)c1cccc(F)c1 ZINC000044880536 175269405 /nfs/dbraw/zinc/26/94/05/175269405.db2.gz CABJHBBVSYDHBQ-ZDUSSCGKSA-N 1 0 250.317 2.321 10 0 CEAERO CCOC(=O)CC1(NCc2cccc(Cl)c2)COC1 ZINC000045028301 175293146 /nfs/dbraw/zinc/29/31/46/175293146.db2.gz IDFHLCJAYJHJCD-UHFFFAOYSA-N 1 0 283.755 2.152 10 0 CEAERO CC[NH2+][C@@H]1CCC2(C[C@@H]1N(C)CC(C)(C)C)OCCO2 ZINC000045072717 175302131 /nfs/dbraw/zinc/30/21/31/175302131.db2.gz FPQYFEBVRZSDHY-KGLIPLIRSA-N 1 0 284.444 2.238 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](CN2CCC[C@@H]2C2CCCC2)C1 ZINC000045089768 175304852 /nfs/dbraw/zinc/30/48/52/175304852.db2.gz RLPABYQAXXWJLH-RBSFLKMASA-N 1 0 252.402 2.018 10 0 CEAERO CCCCCNC(=O)[C@@H](C)[NH2+]CCOCCC(C)C ZINC000045106851 175308134 /nfs/dbraw/zinc/30/81/34/175308134.db2.gz JCNCIHYIITYWIL-CQSZACIVSA-N 1 0 272.433 2.334 10 0 CEAERO CC(C)[N@@H+]1CC[C@@H](Cn2c(N)nc3c2cccc3F)C1 ZINC000045136024 175313436 /nfs/dbraw/zinc/31/34/36/175313436.db2.gz JLCQRDZPBNLERP-LLVKDONJSA-N 1 0 276.359 2.488 10 0 CEAERO Cc1nn(C)c(C)c1[C@H](C)[NH2+]CCCOC[C@H]1CCCO1 ZINC000045168618 175319983 /nfs/dbraw/zinc/31/99/83/175319983.db2.gz JYFYMCWHBLCNLL-SWLSCSKDSA-N 1 0 295.427 2.273 10 0 CEAERO Cc1nn(C)c(C)c1-c1c[nH]c([C@@H]2CCCC[NH2+]2)n1 ZINC000045169341 175320170 /nfs/dbraw/zinc/32/01/70/175320170.db2.gz QEVWXLOLBJYMTN-NSHDSACASA-N 1 0 259.357 2.242 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)[NH2+][C@@H](CO)CC(C)C ZINC000045172216 175321647 /nfs/dbraw/zinc/32/16/47/175321647.db2.gz PXYIPCUVRNPODC-ZWNOBZJWSA-N 1 0 253.390 2.095 10 0 CEAERO CCCC[N@H+](C)C[C@@](N)(C(=O)OCC)c1ccccc1 ZINC000045221895 175330899 /nfs/dbraw/zinc/33/08/99/175330899.db2.gz SUERVZLFNHGKST-INIZCTEOSA-N 1 0 278.396 2.136 10 0 CEAERO CCN(C[C@@](C)([NH2+]C(C)C)C(N)=O)c1ccccc1C ZINC000045223029 175331441 /nfs/dbraw/zinc/33/14/41/175331441.db2.gz AUOVJFKGHSJMNU-MRXNPFEDSA-N 1 0 277.412 2.063 10 0 CEAERO CCCC[N@H+](CC)CC[C@@](C)(NCCC)C(=O)OC ZINC000045223405 175331744 /nfs/dbraw/zinc/33/17/44/175331744.db2.gz RACONXKOJFSNJV-OAHLLOKOSA-N 1 0 272.433 2.430 10 0 CEAERO CCCN[C@](C[NH+](CC)CC)(C(=O)OC)c1ccccc1 ZINC000045226501 175333796 /nfs/dbraw/zinc/33/37/96/175333796.db2.gz PFJQSFOBISJNTC-KRWDZBQOSA-N 1 0 292.423 2.396 10 0 CEAERO CCOC(=O)[C@](C[NH+]1CCCCC1)(NC)c1ccccc1 ZINC000045229800 175334098 /nfs/dbraw/zinc/33/40/98/175334098.db2.gz QDFHSYAQMIYMAF-QGZVFWFLSA-N 1 0 290.407 2.150 10 0 CEAERO CCC[NH+](CCC)C[C@](N)(C(=O)OC)c1ccccc1 ZINC000045230204 175334411 /nfs/dbraw/zinc/33/44/11/175334411.db2.gz LZMAILANVZHWEV-MRXNPFEDSA-N 1 0 278.396 2.136 10 0 CEAERO CCN[C@@](C)(C[N@H+](C)C1CCCCC1)C(=O)OCC ZINC000045231147 175334660 /nfs/dbraw/zinc/33/46/60/175334660.db2.gz KJFNFQJRXDLGMM-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CC[NH2+][C@](C)(CC[N@H+]1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000045231855 175335569 /nfs/dbraw/zinc/33/55/69/175335569.db2.gz ALZZIFAZGISVAL-MBNYWOFBSA-N 1 0 256.390 2.092 10 0 CEAERO CCN[C@](C)(C[NH+]1[C@@H](C)CCC[C@@H]1C)C(=O)OCC ZINC000045231779 175335623 /nfs/dbraw/zinc/33/56/23/175335623.db2.gz NZKOQDJDOUUKAB-KCQAQPDRSA-N 1 0 270.417 2.181 10 0 CEAERO CCCC[NH+](CCCC)C[C@](C)(NC)C(=O)OC ZINC000045232692 175336202 /nfs/dbraw/zinc/33/62/02/175336202.db2.gz FWAUZQMLHDLXGZ-AWEZNQCLSA-N 1 0 258.406 2.040 10 0 CEAERO CCCC[NH+](CCCC)CC[C@@](C)(NC)C(=O)OC ZINC000045263315 175337749 /nfs/dbraw/zinc/33/77/49/175337749.db2.gz SMBCGJDGDDSYLY-OAHLLOKOSA-N 1 0 272.433 2.430 10 0 CEAERO CCCN[C@](C)(CC[N@H+](CC)C(C)C)C(=O)OC ZINC000045265664 175338286 /nfs/dbraw/zinc/33/82/86/175338286.db2.gz ZRLCVLXRNVJGMB-CQSZACIVSA-N 1 0 258.406 2.038 10 0 CEAERO CCC[N@H+](CC[C@@](C)(NC1CC1)C(=O)OC)C(C)C ZINC000045266983 175339370 /nfs/dbraw/zinc/33/93/70/175339370.db2.gz GZVZSCPNAQVUKH-OAHLLOKOSA-N 1 0 270.417 2.181 10 0 CEAERO CCCN[C@](C)(C[N@H+](C)C1CCCC1)C(=O)OCC ZINC000045266169 175339446 /nfs/dbraw/zinc/33/94/46/175339446.db2.gz CSXOLNCBKDBGRC-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CCC[N@H+](CC)C[C@](NCC)(C(=O)OC)c1ccccc1 ZINC000045267455 175339966 /nfs/dbraw/zinc/33/99/66/175339966.db2.gz NLARNCIEAZCVJW-QGZVFWFLSA-N 1 0 292.423 2.396 10 0 CEAERO CCCCC[N@H+](C)CC[C@@](C)(NCC)C(=O)OCC ZINC000045268237 175340706 /nfs/dbraw/zinc/34/07/06/175340706.db2.gz RLVNFZZLZMGPSE-OAHLLOKOSA-N 1 0 272.433 2.430 10 0 CEAERO CCC(CC)[N@H+](C)C[C@](N)(C(=O)OC)c1ccccc1 ZINC000045269571 175341266 /nfs/dbraw/zinc/34/12/66/175341266.db2.gz LECQNGSTHBFDRW-MRXNPFEDSA-N 1 0 278.396 2.134 10 0 CEAERO CCCN[C@](C)(C[N@H+](C)[C@@H](C)C(C)C)C(=O)OCC ZINC000045269866 175341874 /nfs/dbraw/zinc/34/18/74/175341874.db2.gz CVGAJDJMGGISQO-DZGCQCFKSA-N 1 0 272.433 2.284 10 0 CEAERO CN[C@@](C)(CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)OC ZINC000045272145 175343517 /nfs/dbraw/zinc/34/35/17/175343517.db2.gz KTEVEZDYKLQNSC-LZWOXQAQSA-N 1 0 282.428 2.040 10 0 CEAERO CCN(CC[C@](C)([NH2+]C1CC1)C(N)=O)c1cccc(C)c1 ZINC000045273262 175343920 /nfs/dbraw/zinc/34/39/20/175343920.db2.gz WGODUGGDTCTMHC-KRWDZBQOSA-N 1 0 289.423 2.207 10 0 CEAERO CCC(CC)C[N@H+](CC)CC[C@](C)([NH2+]C)C(=O)[O-] ZINC000045277815 175347783 /nfs/dbraw/zinc/34/77/83/175347783.db2.gz QLEZYPKIYJIHHA-AWEZNQCLSA-N 1 0 258.406 2.197 10 0 CEAERO CCC1CC[NH+](CC[C@@](C)(NC(C)C)C(=O)OC)CC1 ZINC000045281470 175352482 /nfs/dbraw/zinc/35/24/82/175352482.db2.gz BQNRQENMUGQDOG-MRXNPFEDSA-N 1 0 284.444 2.428 10 0 CEAERO CCCC[N@H+](C[C@@](C)(NCCC)C(N)=O)[C@@H](C)CC ZINC000045282564 175352686 /nfs/dbraw/zinc/35/26/86/175352686.db2.gz ZSVRDWGAZLDKHX-DZGCQCFKSA-N 1 0 271.449 2.131 10 0 CEAERO C[NH2+][C@](C)(CCC[NH+]1CCCCCCC1)C(=O)[O-] ZINC000045371485 175364158 /nfs/dbraw/zinc/36/41/58/175364158.db2.gz CMTDGSCVFYYHIE-CQSZACIVSA-N 1 0 256.390 2.095 10 0 CEAERO CC[N@H+](CCC[C@@](C)([NH2+]C)C(=O)[O-])C1CCCCC1 ZINC000045372343 175364775 /nfs/dbraw/zinc/36/47/75/175364775.db2.gz NFHYDSRXKKGKIQ-OAHLLOKOSA-N 1 0 270.417 2.484 10 0 CEAERO CCOC(=O)[C@H](C[N@H+](CC)C1CCCCC1)NC1CC1 ZINC000045372253 175364886 /nfs/dbraw/zinc/36/48/86/175364886.db2.gz PYOPJMPKTMOJEJ-HNNXBMFYSA-N 1 0 282.428 2.325 10 0 CEAERO CCC[NH2+][C@](C)(CCC[N@@H+]1CCCC[C@@H]1C)C(=O)[O-] ZINC000045376114 175366582 /nfs/dbraw/zinc/36/65/82/175366582.db2.gz VUBQDLSOKLPXMD-DZGCQCFKSA-N 1 0 270.417 2.484 10 0 CEAERO CCC[NH2+][C@](C)(CCCC[NH+]1CCCCC1)C(=O)[O-] ZINC000045378217 175367688 /nfs/dbraw/zinc/36/76/88/175367688.db2.gz AQMPDELRNSNYHI-OAHLLOKOSA-N 1 0 270.417 2.486 10 0 CEAERO COC(=O)[C@](C)(CCCC[N@H+](C)CC(C)C)NC1CC1 ZINC000045380913 175370193 /nfs/dbraw/zinc/37/01/93/175370193.db2.gz YTHSCVUAWBFXCG-INIZCTEOSA-N 1 0 284.444 2.428 10 0 CEAERO CCC[N@H+](CCCC[C@](C)(NC)C(=O)OC)C(C)C ZINC000045385828 175371942 /nfs/dbraw/zinc/37/19/42/175371942.db2.gz ASHFZSDLPCRPOV-HNNXBMFYSA-N 1 0 272.433 2.428 10 0 CEAERO C[NH2+][C@](C)(CCC[NH+](CC(C)C)CC(C)C)C(=O)[O-] ZINC000045420402 175378856 /nfs/dbraw/zinc/37/88/56/175378856.db2.gz CYIGRNIOEGSWPP-OAHLLOKOSA-N 1 0 272.433 2.443 10 0 CEAERO CCOC(=O)[C@@](C)([NH3+])CCCN(CC(F)(F)F)C1CC1 ZINC000045420730 175379261 /nfs/dbraw/zinc/37/92/61/175379261.db2.gz AAIAHVAFDGINLU-LBPRGKRZSA-N 1 0 296.333 2.074 10 0 CEAERO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)O1 ZINC000658218082 415258735 /nfs/dbraw/zinc/25/87/35/415258735.db2.gz HIXPAMKMCDSQBB-RKQHYHRCSA-N 1 0 253.386 2.347 10 0 CEAERO CC[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1ccsc1 ZINC000658240306 415272826 /nfs/dbraw/zinc/27/28/26/415272826.db2.gz IEZNKBHOGGSUHE-ZYHUDNBSSA-N 1 0 252.383 2.267 10 0 CEAERO CC(C)[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1ccccc1 ZINC000658243075 415278717 /nfs/dbraw/zinc/27/87/17/415278717.db2.gz NLFDJCJQBXFSTM-CZUORRHYSA-N 1 0 260.381 2.452 10 0 CEAERO CN1C[C@H](C[NH2+][C@@H]2CCCc3sccc32)CC1=O ZINC000658244262 415280965 /nfs/dbraw/zinc/28/09/65/415280965.db2.gz KZTOXRAMRXGWPW-CMPLNLGQSA-N 1 0 264.394 2.193 10 0 CEAERO C[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1cccc(Cl)c1 ZINC000658244537 415281046 /nfs/dbraw/zinc/28/10/46/415281046.db2.gz LXSQYTGKRIMCNX-WDEREUQCSA-N 1 0 266.772 2.469 10 0 CEAERO CC[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1ccc(F)cc1 ZINC000658244960 415281610 /nfs/dbraw/zinc/28/16/10/415281610.db2.gz OJIVEZVXEJDBIU-BXUZGUMPSA-N 1 0 264.344 2.345 10 0 CEAERO CCN(c1ccc(C)cc1)[C@@H](C[NH3+])c1cnn(C)c1 ZINC000049978366 175506222 /nfs/dbraw/zinc/50/62/22/175506222.db2.gz SWQNKHDUZCLGMK-HNNXBMFYSA-N 1 0 258.369 2.255 10 0 CEAERO CC1(C)CCN(C(=O)C2([NH3+])CCOCC2)CC(C)(C)C1 ZINC000659357412 415536081 /nfs/dbraw/zinc/53/60/81/415536081.db2.gz GRYHEUBEYCZAHS-UHFFFAOYSA-N 1 0 282.428 2.169 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC1CCC(C2CCC2)CC1 ZINC000659386871 415558168 /nfs/dbraw/zinc/55/81/68/415558168.db2.gz SQELZEPWDRSNKF-GALLPEHLSA-N 1 0 264.413 2.317 10 0 CEAERO CCCCOC[C@H](O)C[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000656155786 415616269 /nfs/dbraw/zinc/61/62/69/415616269.db2.gz BSMSREHKKQOQAD-HUUCEWRRSA-N 1 0 285.428 2.245 10 0 CEAERO CC(C)[C@H]1C[C@H]([NH2+]CCc2cscn2)CCO1 ZINC000070362227 175889711 /nfs/dbraw/zinc/88/97/11/175889711.db2.gz PGWCIUWQIKVKLI-DGCLKSJQSA-N 1 0 254.399 2.479 10 0 CEAERO CC(C)[C@@H]1C[C@@](CO)([NH2+]Cc2ccccc2)CCO1 ZINC000070371780 175898975 /nfs/dbraw/zinc/89/89/75/175898975.db2.gz MCVUODVJSAVHFL-HOTGVXAUSA-N 1 0 263.381 2.342 10 0 CEAERO C[NH2+][C@H](Cc1cccc(OC)c1)Cc1cccnc1N ZINC000070407256 175913392 /nfs/dbraw/zinc/91/33/92/175913392.db2.gz SHCRRYKGENJYPU-CQSZACIVSA-N 1 0 271.364 2.046 10 0 CEAERO CCCc1cc(NN)[nH+]c(-c2ccc3nccnc3c2)n1 ZINC000070433623 175928622 /nfs/dbraw/zinc/92/86/22/175928622.db2.gz BBKPMTCPZDWATE-UHFFFAOYSA-N 1 0 280.335 2.325 10 0 CEAERO C[C@@](O)(Cc1ccc2c(c1)CCC2)[C@H]1CCC[NH2+]C1 ZINC000070499771 175958202 /nfs/dbraw/zinc/95/82/02/175958202.db2.gz QQBBNGIKYBTNQF-DLBZAZTESA-N 1 0 259.393 2.468 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCCCOc1cccc(CO)c1 ZINC000070516866 175965613 /nfs/dbraw/zinc/96/56/13/175965613.db2.gz IFIRWQAMRURWNJ-MRXNPFEDSA-N 1 0 281.396 2.089 10 0 CEAERO CC[NH2+]C[C@H](C)CN1c2cc(C)cc(C)c2C(=O)C1=O ZINC000070527521 175971744 /nfs/dbraw/zinc/97/17/44/175971744.db2.gz XYQBXOQFDYJOCC-NSHDSACASA-N 1 0 274.364 2.078 10 0 CEAERO FC(F)(F)COCC[NH2+][C@H]1COc2ccccc21 ZINC000070529698 175972306 /nfs/dbraw/zinc/97/23/06/175972306.db2.gz SBTSOCZJQUNYTE-JTQLQIEISA-N 1 0 261.243 2.289 10 0 CEAERO COCC1CCN([C@@H](C[NH3+])c2ccccc2F)CC1 ZINC000070533844 175974762 /nfs/dbraw/zinc/97/47/62/175974762.db2.gz TYYOUDADDVZLPE-HNNXBMFYSA-N 1 0 266.360 2.184 10 0 CEAERO [NH3+]CCc1ccc(C(=O)Nc2cccc3n[nH]cc32)cc1 ZINC000070552171 175981124 /nfs/dbraw/zinc/98/11/24/175981124.db2.gz FXMBOJLQNDTBNK-UHFFFAOYSA-N 1 0 280.331 2.316 10 0 CEAERO CN(C(=O)[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1F ZINC000070578050 175993975 /nfs/dbraw/zinc/99/39/75/175993975.db2.gz VGFDRABLELDPAJ-QWRGUYRKSA-N 1 0 250.317 2.306 10 0 CEAERO C[NH2+]Cc1csc(N2C[C@H](C)S[C@@H](C)C2)n1 ZINC000070682464 176001333 /nfs/dbraw/zinc/00/13/33/176001333.db2.gz FOYDXRJFHJAZSY-IUCAKERBSA-N 1 0 257.428 2.193 10 0 CEAERO Cc1ccc(C(=O)N(CC[NH3+])C2CCCC2)c(O)c1 ZINC000070943595 176016289 /nfs/dbraw/zinc/01/62/89/176016289.db2.gz ORZGLWXWVZLKGH-UHFFFAOYSA-N 1 0 262.353 2.044 10 0 CEAERO Cc1ccc([C@H]2[C@@H]([NH3+])CCC(=O)N2C2CC2)c(C)c1 ZINC000070987305 176018717 /nfs/dbraw/zinc/01/87/17/176018717.db2.gz QEMLYWUMEAOUQU-HOCLYGCPSA-N 1 0 258.365 2.457 10 0 CEAERO C[NH2+][C@@H]1CCCN([C@@H](C)c2ccc(C)s2)C1=O ZINC000071032302 176023439 /nfs/dbraw/zinc/02/34/39/176023439.db2.gz DIRFRAMRWMSUFP-WDEREUQCSA-N 1 0 252.383 2.328 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCN1c1cccc(Cl)c1 ZINC000071032559 176023736 /nfs/dbraw/zinc/02/37/36/176023736.db2.gz YDRMVABXSXCWKW-LBPRGKRZSA-N 1 0 250.729 2.197 10 0 CEAERO CC(C)[NH2+][C@H]1CCCN(CCc2ccsc2)C1=O ZINC000071032286 176023863 /nfs/dbraw/zinc/02/38/63/176023863.db2.gz BMDAZBWVEGVUTO-ZDUSSCGKSA-N 1 0 266.410 2.280 10 0 CEAERO C[NH2+][C@H]1CCCN(Cc2ccc(Br)cc2)C1=O ZINC000071035628 176025577 /nfs/dbraw/zinc/02/55/77/176025577.db2.gz FMFFEGWBSHDONP-LBPRGKRZSA-N 1 0 297.196 2.160 10 0 CEAERO COc1ccc(N2CC[C@H]([NH2+]C(C)C)C2=O)cc1Cl ZINC000071038110 176026865 /nfs/dbraw/zinc/02/68/65/176026865.db2.gz SJSTWWJCRICPFG-LBPRGKRZSA-N 1 0 282.771 2.452 10 0 CEAERO CC(C)[NH2+][C@@H]1CCCN([C@@H](C)c2ccccn2)C1=O ZINC000071040342 176027651 /nfs/dbraw/zinc/02/76/51/176027651.db2.gz SQMVMBTYNIWYAQ-GXTWGEPZSA-N 1 0 261.369 2.132 10 0 CEAERO CC[NH2+][C@H]1CCCN(Cc2cccc(OCC)c2)C1=O ZINC000071041339 176028087 /nfs/dbraw/zinc/02/80/87/176028087.db2.gz ULNOMQCWWPDCOO-HNNXBMFYSA-N 1 0 276.380 2.186 10 0 CEAERO CC[NH2+][C@@H]1CCCN(CCc2cc(F)cc(F)c2)C1=O ZINC000071042447 176028610 /nfs/dbraw/zinc/02/86/10/176028610.db2.gz FDPRRVBNLXAAIO-CQSZACIVSA-N 1 0 282.334 2.108 10 0 CEAERO CC[NH2+][C@@H]1CCCN(Cc2cccc(Cl)c2)C1=O ZINC000071042479 176028820 /nfs/dbraw/zinc/02/88/20/176028820.db2.gz VHJLTGOYKBMOLK-CYBMUJFWSA-N 1 0 266.772 2.441 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN([C@H](C)Cc2cccs2)C1=O ZINC000071043796 176029585 /nfs/dbraw/zinc/02/95/85/176029585.db2.gz UGBYAVDWRTVHHV-DGCLKSJQSA-N 1 0 266.410 2.278 10 0 CEAERO C[C@H](Cc1cccs1)N1CC[C@@H]([NH2+]C2CC2)C1=O ZINC000071043805 176029624 /nfs/dbraw/zinc/02/96/24/176029624.db2.gz SEJBPTSSDCSBQC-ZWNOBZJWSA-N 1 0 264.394 2.032 10 0 CEAERO CC(C)[NH2+][C@H]1CCN(Cc2cc(F)ccc2F)C1=O ZINC000071043729 176029931 /nfs/dbraw/zinc/02/99/31/176029931.db2.gz HXYQCTXLKXYGQO-ZDUSSCGKSA-N 1 0 268.307 2.064 10 0 CEAERO COc1cc(OC)cc(OCC[NH2+]CCCOC(C)C)c1 ZINC000071137891 176036315 /nfs/dbraw/zinc/03/63/15/176036315.db2.gz JFFVEKGJPXFIAA-UHFFFAOYSA-N 1 0 297.395 2.487 10 0 CEAERO CC(C)[C@H](C[NH2+]C(C)(C)C)Sc1nncn1C ZINC000071137913 176036409 /nfs/dbraw/zinc/03/64/09/176036409.db2.gz XDNDWCIMOXGYIO-JTQLQIEISA-N 1 0 256.419 2.320 10 0 CEAERO C[NH2+]C[C@H]1CCN([C@@H](C)c2ccc(OC)c(OC)c2)C1 ZINC000071141984 176040402 /nfs/dbraw/zinc/04/04/02/176040402.db2.gz DYIJJROQAPNIFL-QWHCGFSZSA-N 1 0 278.396 2.306 10 0 CEAERO CC[C@@H]1CCCC[C@@]1(C[NH3+])N1CCOCC1(C)C ZINC000071161810 176046410 /nfs/dbraw/zinc/04/64/10/176046410.db2.gz BUXHJWXUGOMJOS-HIFRSBDPSA-N 1 0 254.418 2.395 10 0 CEAERO [NH3+]Cc1ncccc1COc1cc(F)ccc1F ZINC000071167361 176049411 /nfs/dbraw/zinc/04/94/11/176049411.db2.gz FUTCSDBIBAGERC-UHFFFAOYSA-N 1 0 250.248 2.398 10 0 CEAERO CCCc1nc([C@](C)([NH3+])Cc2ccc(OC)cc2)no1 ZINC000071169887 176050671 /nfs/dbraw/zinc/05/06/71/176050671.db2.gz JOAFFTIVTODVPN-OAHLLOKOSA-N 1 0 275.352 2.447 10 0 CEAERO CC(C)Oc1cncc(N[C@H]2c3ccccc3C[C@H]2[NH3+])n1 ZINC000071177448 176055278 /nfs/dbraw/zinc/05/52/78/176055278.db2.gz NGLIXTNRMJOZAI-CJNGLKHVSA-N 1 0 284.363 2.300 10 0 CEAERO CC[NH2+]Cc1cc(Cl)ccc1O[C@H]1CCN(C)C1=O ZINC000071182835 176058153 /nfs/dbraw/zinc/05/81/53/176058153.db2.gz GYYUZRJINNAGJF-ZDUSSCGKSA-N 1 0 282.771 2.059 10 0 CEAERO Cc1ccc(O[C@H]2CCN(C)C2=O)c(C[NH2+]C(C)(C)C)c1 ZINC000071183245 176058494 /nfs/dbraw/zinc/05/84/94/176058494.db2.gz GBNRHWPSYMZCOG-HNNXBMFYSA-N 1 0 290.407 2.493 10 0 CEAERO CC(=O)c1ccccc1OCCN(C)C[C@H]1CC[N@H+](C)C1 ZINC000071189850 176065987 /nfs/dbraw/zinc/06/59/87/176065987.db2.gz OMJWUYGOVOTFEW-HNNXBMFYSA-N 1 0 290.407 2.152 10 0 CEAERO CN(C[C@@H]1CC[N@H+](C)C1)c1nc2c(s1)C(=O)CCC2 ZINC000071192483 176074896 /nfs/dbraw/zinc/07/48/96/176074896.db2.gz FKBSZKMDFXCDED-SNVBAGLBSA-N 1 0 279.409 2.050 10 0 CEAERO CCC[NH2+][C@@H]1CCCN(Cc2scnc2C)C1 ZINC000071199873 176077168 /nfs/dbraw/zinc/07/71/68/176077168.db2.gz BVTLALWTSLFUPO-GFCCVEGCSA-N 1 0 253.415 2.416 10 0 CEAERO CC[NH2+][C@H]1CCCN(CCc2nc(C)cs2)C1 ZINC000071200228 176077521 /nfs/dbraw/zinc/07/75/21/176077521.db2.gz ZAWJAJRYPDWWRF-LBPRGKRZSA-N 1 0 253.415 2.068 10 0 CEAERO CCOC(=O)c1ncsc1N[C@H](C)CC[NH+](C)C ZINC000071202143 176078239 /nfs/dbraw/zinc/07/82/39/176078239.db2.gz AYCHINAEYOVPRV-SECBINFHSA-N 1 0 271.386 2.072 10 0 CEAERO Cc1ncsc1CN[C@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000071212757 176084529 /nfs/dbraw/zinc/08/45/29/176084529.db2.gz SOYYXPCMKVINKU-NHCYSSNCSA-N 1 0 253.415 2.270 10 0 CEAERO COCCN(CCC[NH3+])C(=O)CCC1CCCCC1 ZINC000071222898 176088114 /nfs/dbraw/zinc/08/81/14/176088114.db2.gz XROOPXREARKINX-UHFFFAOYSA-N 1 0 270.417 2.171 10 0 CEAERO COCCN(CCC(N)=[NH2+])Cc1c(C)cc(C)cc1C ZINC000071228971 176090967 /nfs/dbraw/zinc/09/09/67/176090967.db2.gz ASQYTBCXTHGBCP-UHFFFAOYSA-N 1 0 277.412 2.386 10 0 CEAERO CC(C)(C)OC(=O)N1CCCC[C@H]2CC[NH2+]C[C@@H]21 ZINC000071257581 176095854 /nfs/dbraw/zinc/09/58/54/176095854.db2.gz SCYXEFDQDRMNIJ-RYUDHWBXSA-N 1 0 254.374 2.386 10 0 CEAERO CN(Cc1cccnc1)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267675 176101067 /nfs/dbraw/zinc/10/10/67/176101067.db2.gz HCJLXWYEISDQGL-UHFFFAOYSA-N 1 0 272.327 2.137 10 0 CEAERO COC[C@@H](O)C[NH2+][C@@H](c1ccccc1)c1ccc(O)cc1 ZINC000071267601 176101143 /nfs/dbraw/zinc/10/11/43/176101143.db2.gz ZUVYUKYCJGJNPD-IRXDYDNUSA-N 1 0 287.359 2.079 10 0 CEAERO CC(C)C[C@@H]1CSC(NCc2nccn2C)=[NH+]1 ZINC000071274599 176106133 /nfs/dbraw/zinc/10/61/33/176106133.db2.gz YXZHNXWOVAGLKP-SNVBAGLBSA-N 1 0 252.387 2.027 10 0 CEAERO CCOC(=O)CCCCC[N@H+]1[C@@H](CN)CCC[C@@H]1C ZINC000071297818 176112476 /nfs/dbraw/zinc/11/24/76/176112476.db2.gz LDNFSINQIHUGGW-UONOGXRCSA-N 1 0 270.417 2.312 10 0 CEAERO COc1ccc(CC[C@@H](C)N(C)[C@@H]2CC[NH2+]C2)cc1 ZINC000071309866 176116921 /nfs/dbraw/zinc/11/69/21/176116921.db2.gz GEMCGURKULVPFR-UKRRQHHQSA-N 1 0 262.397 2.310 10 0 CEAERO CN(Cc1nc(-c2ccccc2Cl)no1)[C@@H]1CC[NH2+]C1 ZINC000071310721 176117560 /nfs/dbraw/zinc/11/75/60/176117560.db2.gz KVJAANBNKXFCMP-SNVBAGLBSA-N 1 0 292.770 2.184 10 0 CEAERO Cc1cc(Cl)c(CN(C)[C@@H]2CC[NH2+]C2)c(Cl)n1 ZINC000071311060 176117945 /nfs/dbraw/zinc/11/79/45/176117945.db2.gz GHCDDZQNASJLDB-SECBINFHSA-N 1 0 274.195 2.491 10 0 CEAERO CCN(C(=O)c1ccc(Cl)cc1F)[C@H]1CC[NH2+]C1 ZINC000071312601 176119249 /nfs/dbraw/zinc/11/92/49/176119249.db2.gz OJIJLHQNBIYUGU-JTQLQIEISA-N 1 0 270.735 2.303 10 0 CEAERO CCN(C(=O)c1ccc2ccccc2n1)[C@@H]1CC[NH2+]C1 ZINC000071312660 176119281 /nfs/dbraw/zinc/11/92/81/176119281.db2.gz PONOESLUTOXECB-CYBMUJFWSA-N 1 0 269.348 2.059 10 0 CEAERO CCN(C(=O)c1cc(Cl)ccc1F)[C@H]1CC[NH2+]C1 ZINC000071312603 176119325 /nfs/dbraw/zinc/11/93/25/176119325.db2.gz NSSMCSBRXMWAEB-JTQLQIEISA-N 1 0 270.735 2.303 10 0 CEAERO CCCn1cc(Cl)cc1C(=O)N(CC)[C@H]1CC[NH2+]C1 ZINC000071312442 176119400 /nfs/dbraw/zinc/11/94/00/176119400.db2.gz HSXLGNZSXTUICC-LBPRGKRZSA-N 1 0 283.803 2.376 10 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260.381 2.042 10 0 CEAERO COc1ccc(C)cc1C(=O)NC[C@@H]1[NH2+]CCC[C@@H]1C ZINC000071338811 176129190 /nfs/dbraw/zinc/12/91/90/176129190.db2.gz YNAVCIWBRKLGHD-JSGCOSHPSA-N 1 0 276.380 2.122 10 0 CEAERO C[C@@H]1CCC[NH2+][C@H]1CNC(=O)Nc1ccc(F)cc1F ZINC000071338972 176129285 /nfs/dbraw/zinc/12/92/85/176129285.db2.gz IYWUVFZZVRSCKA-RNCFNFMXSA-N 1 0 283.322 2.474 10 0 CEAERO CC[C@@H]1C[N@H+](CC2CCOCC2)[C@H](C(C)C)CN1 ZINC000071343745 176130933 /nfs/dbraw/zinc/13/09/33/176130933.db2.gz UVBBYAUALOLMIQ-CABCVRRESA-N 1 0 254.418 2.121 10 0 CEAERO CCC[C@H]1C[NH2+][C@H](C(C)(C)C)CN1CCn1cccn1 ZINC000071346871 176132218 /nfs/dbraw/zinc/13/22/18/176132218.db2.gz NFVJBEPUSIBHCJ-GJZGRUSLSA-N 1 0 278.444 2.372 10 0 CEAERO Cc1nccn1CCN1C[C@@H](C(C)(C)C)[NH2+]C[C@@H]1C1CC1 ZINC000071347905 176132764 /nfs/dbraw/zinc/13/27/64/176132764.db2.gz QUBKVHSDLGBVQL-CVEARBPZSA-N 1 0 290.455 2.290 10 0 CEAERO Cc1ccc(SCC[N@@H+]2CCCN(CCO)CC2)cc1 ZINC000071350079 176133690 /nfs/dbraw/zinc/13/36/90/176133690.db2.gz KKIMENJAQCIYDZ-UHFFFAOYSA-N 1 0 294.464 2.087 10 0 CEAERO CC(C)C[C@@H]1CN(Cc2ncccn2)[C@H](C2CC2)C[NH2+]1 ZINC000071351143 176134391 /nfs/dbraw/zinc/13/43/91/176134391.db2.gz HHINGDSPEQMSKD-CABCVRRESA-N 1 0 274.412 2.075 10 0 CEAERO CC[C@H](C)[C@H]1CN(CCOCCOC)[C@@](C)(C2CC2)C[NH2+]1 ZINC000071356365 176136684 /nfs/dbraw/zinc/13/66/84/176136684.db2.gz CIPVJWRMEGOAPE-USXIJHARSA-N 1 0 298.471 2.138 10 0 CEAERO CC[C@H](C)[C@H]1CN(Cc2ncccn2)[C@H](C2CC2)C[NH2+]1 ZINC000071355299 176136876 /nfs/dbraw/zinc/13/68/76/176136876.db2.gz HFZVTEMFTSAJFZ-CFVMTHIKSA-N 1 0 274.412 2.075 10 0 CEAERO CC[C@@H](C)[C@H]1CN(CCn2cccn2)[C@@](C)(CC)C[NH2+]1 ZINC000071355888 176137026 /nfs/dbraw/zinc/13/70/26/176137026.db2.gz MHXWJXWJKYXESC-OAGGEKHMSA-N 1 0 278.444 2.372 10 0 CEAERO CC(C)[C@@H]1C[NH2+]C2(CCCC2)CN1Cc1cnn(C)c1 ZINC000071358542 176137331 /nfs/dbraw/zinc/13/73/31/176137331.db2.gz YWHVUKTUYNZJAI-HNNXBMFYSA-N 1 0 276.428 2.163 10 0 CEAERO CC[C@]1(C)C[N@H+](C[C@@H]2CCCCO2)[C@H](C2CC2)CN1 ZINC000071357334 176137577 /nfs/dbraw/zinc/13/75/77/176137577.db2.gz JRLIWPBNUOTLSF-HRCADAONSA-N 1 0 266.429 2.408 10 0 CEAERO C[C@@]1(C2CC2)CNC2(CCCC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000071359216 176137636 /nfs/dbraw/zinc/13/76/36/176137636.db2.gz UXKWAOURHMJUKY-HOCLYGCPSA-N 1 0 278.440 2.410 10 0 CEAERO c1cn([C@@H]2CCC[C@@H]2[NH2+]Cc2cnn3ccccc23)cn1 ZINC000071373014 176138538 /nfs/dbraw/zinc/13/85/38/176138538.db2.gz AHFZLFMBWCIOSM-GOEBONIOSA-N 1 0 281.363 2.414 10 0 CEAERO CC(C)CCNC(=O)[C@@H](C)NCC[N@H+](C)C1CCCC1 ZINC000071377362 176142060 /nfs/dbraw/zinc/14/20/60/176142060.db2.gz FZLPUHCNSMTNCU-CQSZACIVSA-N 1 0 283.460 2.001 10 0 CEAERO Cc1ccc(N)c(C(=O)NC[C@H](CC(C)C)[NH+](C)C)c1 ZINC000071383415 176146750 /nfs/dbraw/zinc/14/67/50/176146750.db2.gz QWKOSURPXMAAAQ-ZDUSSCGKSA-N 1 0 277.412 2.283 10 0 CEAERO Cc1nc(Sc2nc3ccccc3cc2C(N)=[NH2+])n[nH]1 ZINC000071390477 176148501 /nfs/dbraw/zinc/14/85/01/176148501.db2.gz VJZNNTWUBSCAOP-UHFFFAOYSA-N 1 0 284.348 2.097 10 0 CEAERO c1ccc2c(c1)[nH]nc2-c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000071396466 176150310 /nfs/dbraw/zinc/15/03/10/176150310.db2.gz CRZPUFHQIRUWOL-JTQLQIEISA-N 1 0 255.281 2.037 10 0 CEAERO C[NH+](C)CCOc1ccc(C=O)cc1C(F)(F)F ZINC000071398893 176151883 /nfs/dbraw/zinc/15/18/83/176151883.db2.gz UKEKEVGOVGXPEC-UHFFFAOYSA-N 1 0 261.243 2.458 10 0 CEAERO CC(C)[NH2+]Cc1ccc(OCC(N)=O)c(C(F)(F)F)c1 ZINC000071398712 176151905 /nfs/dbraw/zinc/15/19/05/176151905.db2.gz ZPFBXLNJMNDTGN-UHFFFAOYSA-N 1 0 290.285 2.068 10 0 CEAERO CCOC[C@H](C)NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000071401292 176153399 /nfs/dbraw/zinc/15/33/99/176153399.db2.gz NQHZXXCUBFMDIA-GXTWGEPZSA-N 1 0 264.369 2.008 10 0 CEAERO Cc1ccc(OC[C@H](C)C(N)=O)c(C[NH2+]CC(C)C)c1 ZINC000071407357 176156389 /nfs/dbraw/zinc/15/63/89/176156389.db2.gz BIKASVLWBASOPV-ZDUSSCGKSA-N 1 0 278.396 2.241 10 0 CEAERO CCN(C)C(=O)COc1ccc(C)cc1C[NH2+]C(C)C ZINC000071406646 176156515 /nfs/dbraw/zinc/15/65/15/176156515.db2.gz ZTFDYNWVJUFOKB-UHFFFAOYSA-N 1 0 278.396 2.350 10 0 CEAERO Cc1ccc(O[C@H](C)C(=O)NC2CCCC2)c(CC[NH3+])c1 ZINC000071411264 176157024 /nfs/dbraw/zinc/15/70/24/176157024.db2.gz CDLCGSRFKGOKEZ-CYBMUJFWSA-N 1 0 290.407 2.322 10 0 CEAERO C[NH2+][C@@H](C(=O)c1cc(OC)ccc1OC)C(C)C ZINC000071573098 176199754 /nfs/dbraw/zinc/19/97/54/176199754.db2.gz PENQBKRQNWQOEH-CYBMUJFWSA-N 1 0 251.326 2.131 10 0 CEAERO CC(C)[C@H]([NH3+])[C@@H](O)c1ccccc1Br ZINC000071583654 176208411 /nfs/dbraw/zinc/20/84/11/176208411.db2.gz OMXIQOUMTLIIMY-QWRGUYRKSA-N 1 0 258.159 2.466 10 0 CEAERO C[NH2+][C@H](C(C)C)[C@@H](O)c1ccc(OC)c(C)c1OC ZINC000071599201 176223537 /nfs/dbraw/zinc/22/35/37/176223537.db2.gz MRACEWZTYMKXEH-KGLIPLIRSA-N 1 0 267.369 2.290 10 0 CEAERO O[C@H](C[NH2+]C1CC1)Cc1cccc(Br)c1 ZINC000071601379 176228400 /nfs/dbraw/zinc/22/84/00/176228400.db2.gz IVNXBNGOEAAZRH-LBPRGKRZSA-N 1 0 270.170 2.105 10 0 CEAERO NC(=O)CC[C@@H]1CCC[N@H+](Cc2cccc3nccnc23)C1 ZINC000072167975 176331461 /nfs/dbraw/zinc/33/14/61/176331461.db2.gz HQSFSQXDOXHUKA-ZDUSSCGKSA-N 1 0 298.390 2.107 10 0 CEAERO COc1ccc([C@@H]2Cc3n[nH]c(C)c3[C@@H]([NH3+])C2)cc1OC ZINC000072415417 176399614 /nfs/dbraw/zinc/39/96/14/176399614.db2.gz NUVJZRAIFHMHDR-RYUDHWBXSA-N 1 0 287.363 2.465 10 0 CEAERO Cc1cc(C)cc(CNC(=O)[C@]2(C)CCCC[NH2+]2)c1 ZINC000662648131 415917622 /nfs/dbraw/zinc/91/76/22/415917622.db2.gz XKIVXDSNDCPTHB-INIZCTEOSA-N 1 0 260.381 2.452 10 0 CEAERO NC(=[NH2+])CCOc1ccc(Br)c(F)c1 ZINC000075914354 176828762 /nfs/dbraw/zinc/82/87/62/176828762.db2.gz YUGCWKSRQSIFBT-UHFFFAOYSA-N 1 0 261.094 2.293 10 0 CEAERO Cc1ccc(NC(=O)C2(C[NH3+])CC2)c(Br)c1 ZINC000076484528 177027218 /nfs/dbraw/zinc/02/72/18/177027218.db2.gz MAGVQDKVIQLDLS-UHFFFAOYSA-N 1 0 283.169 2.435 10 0 CEAERO CC[C@H](C[NH3+])CC(=O)Nc1cc(C)ccc1OC ZINC000076654692 177044329 /nfs/dbraw/zinc/04/43/29/177044329.db2.gz IINRAKKQNUPSSF-NSHDSACASA-N 1 0 250.342 2.317 10 0 CEAERO CCNC(=O)CC[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000076659015 177047454 /nfs/dbraw/zinc/04/74/54/177047454.db2.gz QOBISNVBVZZJPC-NSHDSACASA-N 1 0 254.761 2.299 10 0 CEAERO CC[C@@H](C)N(Cc1cc(C)ccc1OC)C(=O)C[NH3+] ZINC000076680173 177057790 /nfs/dbraw/zinc/05/77/90/177057790.db2.gz UBNXJVSSLCXNQP-GFCCVEGCSA-N 1 0 264.369 2.089 10 0 CEAERO C[C@@H]1COC[C@@H](C)[NH+]1CCC(=O)Nc1ccccc1 ZINC000077365256 177257471 /nfs/dbraw/zinc/25/74/71/177257471.db2.gz UXTWDFCNHSOABT-CHWSQXEVSA-N 1 0 262.353 2.124 10 0 CEAERO Cc1nc2sccn2c1C[NH2+]CCOCC(F)(F)F ZINC000077402873 177263299 /nfs/dbraw/zinc/26/32/99/177263299.db2.gz HHCJYNNEANEFIW-UHFFFAOYSA-N 1 0 293.314 2.373 10 0 CEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@H]1CC=CCC1 ZINC000077570011 177281869 /nfs/dbraw/zinc/28/18/69/177281869.db2.gz BXPZSWKBXMJLAP-KBPBESRZSA-N 1 0 267.417 2.371 10 0 CEAERO COC[C@H](C)Oc1ncccc1C[NH2+]CC(C)C ZINC000078522465 177349444 /nfs/dbraw/zinc/34/94/44/177349444.db2.gz ZFRBBCZITSNYFQ-LBPRGKRZSA-N 1 0 252.358 2.241 10 0 CEAERO CC(C)[C@@H](C[NH+](C)C)NC(=O)Oc1ccccc1 ZINC000078597202 177357839 /nfs/dbraw/zinc/35/78/39/177357839.db2.gz WDBCGVYKGXFRQI-CYBMUJFWSA-N 1 0 250.342 2.361 10 0 CEAERO c1nn(-c2nc3ccccc3[nH]2)cc1CCC[NH2+]C1CC1 ZINC000078947588 177408721 /nfs/dbraw/zinc/40/87/21/177408721.db2.gz NSUBSORYWMJGFF-UHFFFAOYSA-N 1 0 281.363 2.433 10 0 CEAERO C[C@]([NH3+])(C(=O)Nc1ccccc1O)c1ccccc1 ZINC000079052870 177422920 /nfs/dbraw/zinc/42/29/20/177422920.db2.gz OYUZTIIJVKGSJW-OAHLLOKOSA-N 1 0 256.305 2.205 10 0 CEAERO CC(C)n1cc(NC(=O)CC[C@@H](C)CC[NH3+])cn1 ZINC000079119918 177437684 /nfs/dbraw/zinc/43/76/84/177437684.db2.gz JBXUJGVQOYNCHT-LLVKDONJSA-N 1 0 252.362 2.168 10 0 CEAERO CCC[C@H](CC[NH3+])CCC(=O)NCCCOCC1CC1 ZINC000079236428 177452838 /nfs/dbraw/zinc/45/28/38/177452838.db2.gz YGCUTYXAJQRDLH-AWEZNQCLSA-N 1 0 284.444 2.465 10 0 CEAERO CCC[C@@H](CC[NH3+])CCC(=O)N[C@H](CO)CC(C)C ZINC000079239889 177454174 /nfs/dbraw/zinc/45/41/74/177454174.db2.gz XCGXXYOFIOXODJ-KGLIPLIRSA-N 1 0 272.433 2.055 10 0 CEAERO CC(C)[C@@H](CC[NH3+])CCC(=O)N(C)C1CCOCC1 ZINC000079255551 177459897 /nfs/dbraw/zinc/45/98/97/177459897.db2.gz JGYIZWXAXVBZDZ-CYBMUJFWSA-N 1 0 270.417 2.025 10 0 CEAERO CN(Cc1cnn(C)c1)C(=O)CC[C@@H](CC[NH3+])C(C)(C)C ZINC000079290931 177464911 /nfs/dbraw/zinc/46/49/11/177464911.db2.gz QRELJVVJNOQGRI-AWEZNQCLSA-N 1 0 294.443 2.170 10 0 CEAERO NC(=[NH2+])[C@H](NC(=O)Oc1ccccc1)c1ccccc1 ZINC000079778370 177557128 /nfs/dbraw/zinc/55/71/28/177557128.db2.gz GENHOMGCOSDFJF-CYBMUJFWSA-N 1 0 269.304 2.452 10 0 CEAERO CCN(CCC(N)=[NH2+])C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000079778587 177557182 /nfs/dbraw/zinc/55/71/82/177557182.db2.gz UBJXZPRLLLMEKX-UHFFFAOYSA-N 1 0 292.427 2.313 10 0 CEAERO CC(C)C[NH2+]Cc1cc(=O)[nH]c(-c2ccc(F)c(F)c2)n1 ZINC000079941204 177586025 /nfs/dbraw/zinc/58/60/25/177586025.db2.gz AJILZIPFFSLHOD-UHFFFAOYSA-N 1 0 293.317 2.461 10 0 CEAERO COc1ccc(C)cc1[C@H]1[NH2+][C@@H](C)C[C@@H](C)[C@@H]1C(N)=O ZINC000080098605 177607134 /nfs/dbraw/zinc/60/71/34/177607134.db2.gz LUOFPLQUDBMHOA-FDRIWYBQSA-N 1 0 276.380 2.164 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1cc(F)c(F)c(F)c1 ZINC000136453806 419446256 /nfs/dbraw/zinc/44/62/56/419446256.db2.gz COAVADOKYRXFJR-JTQLQIEISA-N 1 0 260.259 2.416 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)NCCc1cccc2cccnc21 ZINC000136495341 419449653 /nfs/dbraw/zinc/44/96/53/419449653.db2.gz RFOFCADYEAJUIR-HNNXBMFYSA-N 1 0 285.391 2.267 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]CC2(C)CCOCC2)C12CCOCC2 ZINC000186418245 260080174 /nfs/dbraw/zinc/08/01/74/260080174.db2.gz ZLYOPNMASHKQNH-LSDHHAIUSA-N 1 0 297.439 2.367 10 0 CEAERO C[C@@H](NC(=O)C[C@@H]1CC[NH2+]C1)c1c(F)cccc1F ZINC000089743451 260238745 /nfs/dbraw/zinc/23/87/45/260238745.db2.gz KDUFVAFAGNGBHB-ZJUUUORDSA-N 1 0 268.307 2.142 10 0 CEAERO C[C@H](CC[NH2+][C@@H]1CCO[C@@H]1C)NC(=O)OC(C)(C)C ZINC000221975007 262320650 /nfs/dbraw/zinc/32/06/50/262320650.db2.gz ZXBYWHKXBSPJKV-IJLUTSLNSA-N 1 0 272.389 2.057 10 0 CEAERO CCO[C@H]1C[C@H]([NH2+]CC2(C)CCOCC2)C12CCOCC2 ZINC000186418263 270249844 /nfs/dbraw/zinc/24/98/44/270249844.db2.gz ZLYOPNMASHKQNH-GJZGRUSLSA-N 1 0 297.439 2.367 10 0 CEAERO C[C@H](O)CN1CC[NH+](CCC2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000189362605 270261109 /nfs/dbraw/zinc/26/11/09/270261109.db2.gz AZHUWAKWGNYWTP-OAGGEKHMSA-N 1 0 282.472 2.447 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cccnc1OC ZINC000193368123 270284660 /nfs/dbraw/zinc/28/46/60/270284660.db2.gz JTQSVWXVQHJPPP-AWEZNQCLSA-N 1 0 263.385 2.006 10 0 CEAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000392864875 270341199 /nfs/dbraw/zinc/34/11/99/270341199.db2.gz GQESCBSWLWCSSH-NXEZZACHSA-N 1 0 281.425 2.197 10 0 CEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000393036582 270341501 /nfs/dbraw/zinc/34/15/01/270341501.db2.gz XXTGODHYNPXQQN-VLEAKVRGSA-N 1 0 278.318 2.364 10 0 CEAERO Cn1ccnc1C[NH2+]C(C)(C)CCNC(=O)OC(C)(C)C ZINC000397442160 270353917 /nfs/dbraw/zinc/35/39/17/270353917.db2.gz GAGWXLTXPXVZAW-UHFFFAOYSA-N 1 0 296.415 2.203 10 0 CEAERO Fc1cccc(Br)c1CNC[C@H]1CC[NH2+]C1 ZINC000398367432 270357997 /nfs/dbraw/zinc/35/79/97/270357997.db2.gz PSBWJNXQJDGDAY-VIFPVBQESA-N 1 0 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UOQFMNBSCUKTRC-UHFFFAOYSA-N 1 0 255.749 2.097 10 0 CEAERO CC[N@H+](CC[C@H]([NH2+]C(C)C)C(=O)[O-])C1CCCC1 ZINC000062448523 521157390 /nfs/dbraw/zinc/15/73/90/521157390.db2.gz QVZQCQLYFGYKFM-ZDUSSCGKSA-N 1 0 256.390 2.092 10 0 CEAERO CCOC(=O)[C@H](CC[N@H+](CC(C)C)C(C)C)NC1CC1 ZINC000062525262 521242964 /nfs/dbraw/zinc/24/29/64/521242964.db2.gz DRLJWWVOKOHYIY-HNNXBMFYSA-N 1 0 284.444 2.427 10 0 CEAERO CCC[N@H+](CC)C[C@](NCC)(C(=O)OCC)C1CC1 ZINC000069098104 521613878 /nfs/dbraw/zinc/61/38/78/521613878.db2.gz UYRQHUXIJKXWRK-OAHLLOKOSA-N 1 0 270.417 2.040 10 0 CEAERO CCC[N@H+](CC)C[C@](NC(C)C)(C(=O)OC)C1CC1 ZINC000069098085 521612869 /nfs/dbraw/zinc/61/28/69/521612869.db2.gz ZNSUQZSIBPVFTQ-OAHLLOKOSA-N 1 0 270.417 2.038 10 0 CEAERO CCS(=O)(=O)CC[C@@H](C[NH3+])Cc1ccccc1Cl ZINC000052948573 521645135 /nfs/dbraw/zinc/64/51/35/521645135.db2.gz XJZDDHBELQDDGA-LLVKDONJSA-N 1 0 289.828 2.282 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCCC[C@@H]2C)C1 ZINC000052497976 521645504 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/nfs/dbraw/zinc/77/01/91/518770191.db2.gz NJVARKZHCLDMON-UHFFFAOYSA-N 1 0 251.378 2.142 10 0 CEAERO CC(C)(C)[NH2+]Cc1nnnn1-c1cccc(Cl)c1F ZINC000054745002 518770258 /nfs/dbraw/zinc/77/02/58/518770258.db2.gz WMHYXKBEPCSWPU-UHFFFAOYSA-N 1 0 283.738 2.343 10 0 CEAERO CC(C)(C)[C@H]1C[NH2+]CCN1Cc1cn2ccccc2n1 ZINC000068696003 518981252 /nfs/dbraw/zinc/98/12/52/518981252.db2.gz FKXMGDIKGTZYNQ-CQSZACIVSA-N 1 0 272.396 2.154 10 0 CEAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H](C)C(=O)NC1CCCCC1 ZINC000049555899 519342976 /nfs/dbraw/zinc/34/29/76/519342976.db2.gz GRJDQAITMJVQBQ-GDBMZVCRSA-N 1 0 297.487 2.390 10 0 CEAERO CC(C)Cn1ccnc(N[C@@H](C)C[NH+]2CCCCC2)c1=O ZINC000061765127 519520297 /nfs/dbraw/zinc/52/02/97/519520297.db2.gz ZCNDLTRTCOEWLW-AWEZNQCLSA-N 1 0 292.427 2.186 10 0 CEAERO CC(C)CCC[NH2+]CCN1CCO[C@@H]2CCC[C@@H]21 ZINC000053425785 519641324 /nfs/dbraw/zinc/64/13/24/519641324.db2.gz XGLCDGCFNKCUGR-LSDHHAIUSA-N 1 0 254.418 2.266 10 0 CEAERO CC(C)N(CCC[NH3+])C(=O)c1cccc2ncccc21 ZINC000061410304 519643074 /nfs/dbraw/zinc/64/30/74/519643074.db2.gz PWRTYQYQDQVDLB-UHFFFAOYSA-N 1 0 271.364 2.434 10 0 CEAERO CC(C)CC[C@H](C)NS(=O)(=O)CC[C@H]1CCCC[NH2+]1 ZINC000069234735 519691315 /nfs/dbraw/zinc/69/13/15/519691315.db2.gz PZWSJPLWFIPVBN-UONOGXRCSA-N 1 0 290.473 2.263 10 0 CEAERO CC(C)CC[C@H](C)NS(=O)(=O)c1ccc(C[NH3+])s1 ZINC000069235025 519691393 /nfs/dbraw/zinc/69/13/93/519691393.db2.gz YAWGFNYTFBEFJK-JTQLQIEISA-N 1 0 290.454 2.310 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2csc(C3CC3)n2)C1 ZINC000155446176 519692271 /nfs/dbraw/zinc/69/22/71/519692271.db2.gz RPUSSNZTIJQBMX-PWSUYJOCSA-N 1 0 293.436 2.479 10 0 CEAERO CC(C)CN(CC(F)(F)F)C(=O)[C@]1(C)CC[NH2+]C1 ZINC000062895559 519714108 /nfs/dbraw/zinc/71/41/08/519714108.db2.gz YZJWFPDTULINEF-LLVKDONJSA-N 1 0 266.307 2.033 10 0 CEAERO CC(C)[NH2+]C[C@@H]1CCCN(c2ncnc3c2CCC3)C1 ZINC000061278311 519723663 /nfs/dbraw/zinc/72/36/63/519723663.db2.gz DEKZSWVMGFTNBK-ZDUSSCGKSA-N 1 0 274.412 2.180 10 0 CEAERO CC(C)[NH2+]C[C@H]1CC[C@H](COCC(F)(F)F)O1 ZINC000052601648 519725722 /nfs/dbraw/zinc/72/57/22/519725722.db2.gz FZZHEDKTJFIWHJ-NXEZZACHSA-N 1 0 255.280 2.111 10 0 CEAERO CC(C)C[NH+]1CCN(C[C@@H]2CCCCC[C@H]2O)CC1 ZINC000055082377 519726393 /nfs/dbraw/zinc/72/63/93/519726393.db2.gz OSHKPGMSFKYWKF-JKSUJKDBSA-N 1 0 268.445 2.201 10 0 CEAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)NC2CCC2)cc1 ZINC000052212821 519727086 /nfs/dbraw/zinc/72/70/86/519727086.db2.gz CJJKGURYAMVQRT-UHFFFAOYSA-N 1 0 282.409 2.015 10 0 CEAERO CC(C)C[NH+]1CCN([C@@H](C)[C@H](O)c2ccccc2)CC1 ZINC000055080952 519727388 /nfs/dbraw/zinc/72/73/88/519727388.db2.gz VYWHXTWFDFCBNB-RDJZCZTQSA-N 1 0 276.424 2.382 10 0 CEAERO CC(C)[NH2+]Cc1nnnn1-c1ccc(Cl)c(Cl)c1 ZINC000054744218 519729741 /nfs/dbraw/zinc/72/97/41/519729741.db2.gz NBODZDZJUUSTSC-UHFFFAOYSA-N 1 0 286.166 2.467 10 0 CEAERO CC(C)[NH2+][C@@H](CCOc1ccc(C(C)C)cc1)C(N)=O ZINC000062547942 519734876 /nfs/dbraw/zinc/73/48/76/519734876.db2.gz SRIANYGTXCKJBK-HNNXBMFYSA-N 1 0 278.396 2.431 10 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JTIDZAFKKASLFL-LBPRGKRZSA-N 1 0 251.349 2.435 10 0 CEAERO CC(C)C[NH2+]C[C@@H]1CCCN(c2ccnc(N(C)C)n2)C1 ZINC000068690256 519745006 /nfs/dbraw/zinc/74/50/06/519745006.db2.gz QRLUCSHCUULTSZ-AWEZNQCLSA-N 1 0 291.443 2.005 10 0 CEAERO CC(C)C[NH2+]C[C@H]1CC[C@H](COCCOC(C)C)O1 ZINC000052627611 519746397 /nfs/dbraw/zinc/74/63/97/519746397.db2.gz YSHPZAUTSRSXMI-HUUCEWRRSA-N 1 0 273.417 2.221 10 0 CEAERO CC(C)C[NH2+]Cc1cccc(OCCC(=O)N(C)C)c1 ZINC000062731550 519747769 /nfs/dbraw/zinc/74/77/69/519747769.db2.gz NNHYRGXIHJLNRT-UHFFFAOYSA-N 1 0 278.396 2.289 10 0 CEAERO CC(C)C[NH2+]Cc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC000054744865 519749066 /nfs/dbraw/zinc/74/90/66/519749066.db2.gz UZIFNAYHCCUNDY-UHFFFAOYSA-N 1 0 299.300 2.427 10 0 CEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(N)cn1C1CC1 ZINC000049551055 519775408 /nfs/dbraw/zinc/77/54/08/519775408.db2.gz LTMUKYLGWLIKRJ-ZDUSSCGKSA-N 1 0 292.427 2.111 10 0 CEAERO CC(C)Oc1ccc([C@H]2[C@@H]([NH3+])CCC(=O)N2C)cc1 ZINC000062211164 519782116 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ZINC000055134697 519858320 /nfs/dbraw/zinc/85/83/20/519858320.db2.gz JSUOYWJXGROBQG-UBHSHLNASA-N 1 0 252.402 2.399 10 0 CEAERO CCC1CC[NH+]([C@@H](C)C[C@](C)(NC(C)C)C(N)=O)CC1 ZINC000068638333 519859721 /nfs/dbraw/zinc/85/97/21/519859721.db2.gz STOVSMDHMIDAEV-BBRMVZONSA-N 1 0 283.460 2.129 10 0 CEAERO CCC[NH+]1CCN(c2nc3c(s2)[C@@H](O)CCC3)CC1 ZINC000054910157 519860676 /nfs/dbraw/zinc/86/06/76/519860676.db2.gz ZSAXFKDPRJPIMI-LBPRGKRZSA-N 1 0 281.425 2.045 10 0 CEAERO CC(C)c1[nH+]c2cc(N)ccc2n1CCN1CCOCC1 ZINC000052842721 519869312 /nfs/dbraw/zinc/86/93/12/519869312.db2.gz DJTBLUCIUYLSCF-UHFFFAOYSA-N 1 0 288.395 2.074 10 0 CEAERO CCCNC(=O)COc1cc(F)ccc1[C@H](C)[NH2+]C ZINC000062746615 519881379 /nfs/dbraw/zinc/88/13/79/519881379.db2.gz AZVSLOFAVSUXFU-JTQLQIEISA-N 1 0 268.332 2.011 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)N[C@H]1CCC[C@@H]1OC ZINC000050372387 519884867 /nfs/dbraw/zinc/88/48/67/519884867.db2.gz CIKXSGQMWLYJBJ-STQMWFEESA-N 1 0 270.417 2.215 10 0 CEAERO CCCC1CCC(NC(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000049547524 519897931 /nfs/dbraw/zinc/89/79/31/519897931.db2.gz JYUAYCALUHDTRB-MOKVOYLWSA-N 1 0 252.402 2.461 10 0 CEAERO CCCC1CCN(S(=O)(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000050906017 519902659 /nfs/dbraw/zinc/90/26/59/519902659.db2.gz NORBQZZSHLEXHZ-UHFFFAOYSA-N 1 0 296.436 2.346 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N(C)CCOc1cccc(F)c1 ZINC000061295741 519903181 /nfs/dbraw/zinc/90/31/81/519903181.db2.gz OMDXXPFABCRYTF-UHFFFAOYSA-N 1 0 282.359 2.051 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N1CC[C@H]2CCCC[C@H]2C1 ZINC000061289788 519904523 /nfs/dbraw/zinc/90/45/23/519904523.db2.gz YUCOADLFZYGFDI-OLZOCXBDSA-N 1 0 252.402 2.413 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000061298364 519906055 /nfs/dbraw/zinc/90/60/55/519906055.db2.gz VLAFLTVMDRNKAT-SNVBAGLBSA-N 1 0 252.333 2.391 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N[C@H](C)CCc1ccc(O)cc1 ZINC000061292658 519906119 /nfs/dbraw/zinc/90/61/19/519906119.db2.gz CLQXHWDMNLYCNJ-GFCCVEGCSA-N 1 0 278.396 2.218 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1ccc(C)cc1OCCOC ZINC000061293700 519906414 /nfs/dbraw/zinc/90/64/14/519906414.db2.gz KAOCKJNEUHUNJS-UHFFFAOYSA-N 1 0 294.395 2.347 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1ccccc1-c1nc(C)no1 ZINC000061290655 519908426 /nfs/dbraw/zinc/90/84/26/519908426.db2.gz XJAKKMVJSXKQTO-UHFFFAOYSA-N 1 0 288.351 2.372 10 0 CEAERO CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C1CCOCC1 ZINC000054602108 519910107 /nfs/dbraw/zinc/91/01/07/519910107.db2.gz ISWSMWVEZGVPQO-LQDVMPOASA-N 1 0 252.402 2.160 10 0 CEAERO CC[NH2+]CCC(=O)N(C)[C@H](C)c1ccccc1F ZINC000061294885 519915354 /nfs/dbraw/zinc/91/53/54/519915354.db2.gz XWBFVFWYYDRRCM-LLVKDONJSA-N 1 0 252.333 2.345 10 0 CEAERO CC[NH2+]CCC(=O)N1CCC[C@H]1c1ccsc1 ZINC000061295465 519915665 /nfs/dbraw/zinc/91/56/65/519915665.db2.gz OVMOCSMSJFVYLF-LBPRGKRZSA-N 1 0 252.383 2.411 10 0 CEAERO CC[NH2+]CCC(=O)N1CCC[C@@H]1c1cccs1 ZINC000061294073 519915834 /nfs/dbraw/zinc/91/58/34/519915834.db2.gz WBEDKXIAVBUYPH-LLVKDONJSA-N 1 0 252.383 2.411 10 0 CEAERO CC[NH2+]CCC(=O)NCc1ccc2cc(OC)ccc2c1 ZINC000061298742 519916755 /nfs/dbraw/zinc/91/67/55/519916755.db2.gz SQAWULBYJDIMBK-UHFFFAOYSA-N 1 0 286.375 2.464 10 0 CEAERO CCC[NH2+]CCc1nnc(-c2cc(OC)cc(OC)c2)o1 ZINC000050619911 519919315 /nfs/dbraw/zinc/91/93/15/519919315.db2.gz TUYNDBXIJWDCPA-UHFFFAOYSA-N 1 0 291.351 2.296 10 0 CEAERO CCC[NH2+]CCc1nnc(-c2ccc3c(c2)OCO3)o1 ZINC000050620084 519919681 /nfs/dbraw/zinc/91/96/81/519919681.db2.gz PASWAUYWDNAHBQ-UHFFFAOYSA-N 1 0 275.308 2.007 10 0 CEAERO CCC[NH2+]C[C@@H](OCCOC)c1ccccc1OC ZINC000050496043 519921806 /nfs/dbraw/zinc/92/18/06/519921806.db2.gz DBEPULTUXRDGKD-OAHLLOKOSA-N 1 0 267.369 2.399 10 0 CEAERO CC(C)n1c(S[C@@H](c2cccs2)[C@H](C)[NH3+])n[nH]c1=O ZINC000061595135 519923951 /nfs/dbraw/zinc/92/39/51/519923951.db2.gz LKXDOWGAXBNKRZ-WCBMZHEXSA-N 1 0 298.437 2.394 10 0 CEAERO CC[NH2+]CCc1nnc(-c2ccc3ccccc3n2)o1 ZINC000050619884 519929285 /nfs/dbraw/zinc/92/92/85/519929285.db2.gz RVASSLANBAPYQW-UHFFFAOYSA-N 1 0 268.320 2.437 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1cccc(-n2cccn2)c1 ZINC000061230621 519941968 /nfs/dbraw/zinc/94/19/68/519941968.db2.gz OFDQMHGJDBZAOY-GFCCVEGCSA-N 1 0 272.352 2.056 10 0 CEAERO CCC[NH2+]Cc1c(C)nc(C[C@H]2CCCO2)nc1C ZINC000054854225 519942828 /nfs/dbraw/zinc/94/28/28/519942828.db2.gz QZDFFNHOMUVWHT-CYBMUJFWSA-N 1 0 263.385 2.315 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccc(C(=O)OC(C)C)cc1 ZINC000061231301 519966466 /nfs/dbraw/zinc/96/64/66/519966466.db2.gz IWWHCFIYANRTLG-LBPRGKRZSA-N 1 0 292.379 2.436 10 0 CEAERO CC[NH2+]C[C@H](C)N1CCc2cc(OC)c(OC)cc2C1 ZINC000052417224 519969305 /nfs/dbraw/zinc/96/93/05/519969305.db2.gz CJBUZRSBARLWMJ-LBPRGKRZSA-N 1 0 278.396 2.060 10 0 CEAERO CCC[NH2+]Cc1nnnn1C12CC3CC(CC(C3)C1)C2 ZINC000054745293 519969494 /nfs/dbraw/zinc/96/94/94/519969494.db2.gz GJYYXSYEHFCRGK-UHFFFAOYSA-N 1 0 275.400 2.098 10 0 CEAERO CC[NH2+]C[C@H](C)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000052443429 519969933 /nfs/dbraw/zinc/96/99/33/519969933.db2.gz HRIFODPQHVJUBG-ZDUSSCGKSA-N 1 0 281.831 2.460 10 0 CEAERO CC[NH2+]C[C@H](CC)N1CCN(c2ccc(F)cc2)CC1 ZINC000052418187 519971313 /nfs/dbraw/zinc/97/13/13/519971313.db2.gz IQUVZJVGQQWYDA-HNNXBMFYSA-N 1 0 279.403 2.336 10 0 CEAERO CCC[NH2+]Cc1sc(N2CCO[C@@H](C)C2)nc1C ZINC000054995704 519974592 /nfs/dbraw/zinc/97/45/92/519974592.db2.gz BILRWTBEFDFLEP-JTQLQIEISA-N 1 0 269.414 2.176 10 0 CEAERO CC[NH2+]C[C@H](c1ccccc1)N(C)Cc1cnn(C)c1 ZINC000052570454 519975368 /nfs/dbraw/zinc/97/53/68/519975368.db2.gz SDLAONFOQBLOEG-MRXNPFEDSA-N 1 0 272.396 2.203 10 0 CEAERO CC[NH2+]C[C@H]1CC[C@@H](COc2ccc(CCOC)cc2)O1 ZINC000052699529 519980182 /nfs/dbraw/zinc/98/01/82/519980182.db2.gz OQZCQFWMORWFEA-SJORKVTESA-N 1 0 293.407 2.411 10 0 CEAERO CC[NH2+]C[C@H]1OCCN(C)[C@@H]1c1ccccc1OCC ZINC000070285518 519982124 /nfs/dbraw/zinc/98/21/24/519982124.db2.gz ZGJDHRSKJLLIJJ-HZPDHXFCSA-N 1 0 278.396 2.067 10 0 CEAERO CCC[NH2+][C@@H](C(N)=O)c1ccc(OCCC)cc1 ZINC000052920240 519984830 /nfs/dbraw/zinc/98/48/30/519984830.db2.gz BPRDAGYFZKCWRB-CYBMUJFWSA-N 1 0 250.342 2.001 10 0 CEAERO CCC[NH2+][C@@H](C)c1sc(N2CCN(C)CC2)nc1C ZINC000054900279 519990858 /nfs/dbraw/zinc/99/08/58/519990858.db2.gz YYBWGGCDKUPRFM-NSHDSACASA-N 1 0 282.457 2.264 10 0 CEAERO CCC[NH2+][C@@H](C)c1cnc(N2CCN(C3CC3)CC2)s1 ZINC000054909514 519990899 /nfs/dbraw/zinc/99/08/99/519990899.db2.gz FVGHSASZPMMRMK-LBPRGKRZSA-N 1 0 294.468 2.488 10 0 CEAERO CC[NH2+]Cc1cnn(Cc2ncc(C)c(OC)c2C)c1 ZINC000054719313 520017906 /nfs/dbraw/zinc/01/79/06/520017906.db2.gz SBUAJMOMAOHRRT-UHFFFAOYSA-N 1 0 274.368 2.061 10 0 CEAERO CCC[NH2+][C@@H](c1ccc(F)cc1)[C@H]1COCCO1 ZINC000055300403 520018067 /nfs/dbraw/zinc/01/80/67/520018067.db2.gz ISFHKGWERPSZBX-KGLIPLIRSA-N 1 0 253.317 2.282 10 0 CEAERO CCC[NH2+][C@@H]1CCN([C@@H](C)Cc2ccc(F)cc2)C1=O ZINC000062053595 520022436 /nfs/dbraw/zinc/02/24/36/520022436.db2.gz VTNVVECXZSXONN-SWLSCSKDSA-N 1 0 278.371 2.357 10 0 CEAERO CC[NH2+]Cc1nnnn1-c1ccc(C)c(C(F)(F)F)c1 ZINC000054762578 520025678 /nfs/dbraw/zinc/02/56/78/520025678.db2.gz CLCLNVBIXJLPRD-UHFFFAOYSA-N 1 0 285.273 2.099 10 0 CEAERO CC[NH2+]Cc1sc(N2CCOCC2)nc1C(C)(C)C ZINC000054995187 520035141 /nfs/dbraw/zinc/03/51/41/520035141.db2.gz YMKDDJLQCSHAGJ-UHFFFAOYSA-N 1 0 283.441 2.387 10 0 CEAERO CC[NH2+]Cc1sc(N2CCO[C@@H](C)C2)nc1CC ZINC000054995742 520035530 /nfs/dbraw/zinc/03/55/30/520035530.db2.gz DWOGLRKQSNOYPO-JTQLQIEISA-N 1 0 269.414 2.040 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N(CC)CCc1ccccc1 ZINC000061272373 520060398 /nfs/dbraw/zinc/06/03/98/520060398.db2.gz SPOAJGXQHCSPEP-AWEZNQCLSA-N 1 0 262.397 2.466 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N1CCC[C@H]1c1cccnc1 ZINC000061269828 520061680 /nfs/dbraw/zinc/06/16/80/520061680.db2.gz ZTRRTZQTJPSLFK-JSGCOSHPSA-N 1 0 261.369 2.133 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N1CCn2c(C)ccc2[C@H]1C ZINC000061271708 520063869 /nfs/dbraw/zinc/06/38/69/520063869.db2.gz RSJCGMSQGZTTDU-WCQYABFASA-N 1 0 263.385 2.088 10 0 CEAERO CCC[NH2+][C@H](C)c1cc(F)ccc1N1CCS(=O)CC1 ZINC000049691917 520064092 /nfs/dbraw/zinc/06/40/92/520064092.db2.gz HBJOFVGQPPUUPG-GFCCVEGCSA-N 1 0 298.427 2.455 10 0 CEAERO CCOCC[C@@H](C[NH2+]C)Cc1ccc(OC)cc1 ZINC000052975856 520064473 /nfs/dbraw/zinc/06/44/73/520064473.db2.gz ZUUUEGFBIIOIST-CQSZACIVSA-N 1 0 251.370 2.500 10 0 CEAERO CCC[NH2+][C@H](C)[C@@H]1CCCCN1C1CCOCC1 ZINC000069288344 520064303 /nfs/dbraw/zinc/06/43/03/520064303.db2.gz NZKSXJNBJLGWDM-HIFRSBDPSA-N 1 0 254.418 2.408 10 0 CEAERO CCC[NH2+][C@H](C)c1ccc(OC[C@@H](O)COC)cc1 ZINC000069053527 520065162 /nfs/dbraw/zinc/06/51/62/520065162.db2.gz WOZMVDMYGAZUDN-OCCSQVGLSA-N 1 0 267.369 2.133 10 0 CEAERO CCC[NH2+][C@H](C)c1ccccc1O[C@@H](CC)C(N)=O ZINC000061675839 520065780 /nfs/dbraw/zinc/06/57/80/520065780.db2.gz UMSREFSHGUFPRX-YPMHNXCESA-N 1 0 264.369 2.390 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1ccccc1-c1n[nH]c(C)n1 ZINC000061270668 520070634 /nfs/dbraw/zinc/07/06/34/520070634.db2.gz HCFMYDCGLKTWTI-JTQLQIEISA-N 1 0 287.367 2.107 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1ccccc1OCC ZINC000061268813 520070800 /nfs/dbraw/zinc/07/08/00/520070800.db2.gz GMPSIZTVBTXNBD-NSHDSACASA-N 1 0 250.342 2.412 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(C)cc1OC[C@H](O)COC ZINC000069054004 520074705 /nfs/dbraw/zinc/07/47/05/520074705.db2.gz YLTVIGFKSGGMED-QWHCGFSZSA-N 1 0 267.369 2.052 10 0 CEAERO CC[NH2+][C@@H](C)c1nnc(-c2cccc(OC)c2OC)o1 ZINC000050618805 520081445 /nfs/dbraw/zinc/08/14/45/520081445.db2.gz ZOXSPWIUXORENY-VIFPVBQESA-N 1 0 277.324 2.424 10 0 CEAERO CC[NH2+][C@@H](CC)[C@@H](C)S(=O)(=O)c1ccccc1 ZINC000061702870 520082109 /nfs/dbraw/zinc/08/21/09/520082109.db2.gz AOOCPHTWYARREL-YPMHNXCESA-N 1 0 255.383 2.237 10 0 CEAERO CCC[NH2+][C@H]1CCC2(C[C@H]1OC1CCC1)OCCO2 ZINC000050520324 520092516 /nfs/dbraw/zinc/09/25/16/520092516.db2.gz JFAHLMZYIXYSTF-UONOGXRCSA-N 1 0 269.385 2.219 10 0 CEAERO CCC[NH2+][C@H]1CCN(Cc2ccc(F)cc2F)C1=O ZINC000051017515 520093584 /nfs/dbraw/zinc/09/35/84/520093584.db2.gz DGIJWGHTUWPHPC-ZDUSSCGKSA-N 1 0 268.307 2.065 10 0 CEAERO CCC[NH2+][C@H]1CCOC[C@@H]1N1CCC(C)(C)CC1 ZINC000061819886 520095924 /nfs/dbraw/zinc/09/59/24/520095924.db2.gz 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/nfs/dbraw/zinc/94/45/55/520944555.db2.gz GNLSKERALHHUQX-OAHLLOKOSA-N 1 0 261.369 2.498 10 0 CEAERO CC[N@H+](CC1CC1)[C@H](CN)c1ccc2c(c1)CCO2 ZINC000069237437 520967834 /nfs/dbraw/zinc/96/78/34/520967834.db2.gz XWEPSEQZGMRKAI-OAHLLOKOSA-N 1 0 260.381 2.353 10 0 CEAERO CC1CCN(C(=O)[C@H]2CCC[C@H](CC[NH3+])C2)CC1 ZINC000055145488 520987952 /nfs/dbraw/zinc/98/79/52/520987952.db2.gz UURDYJWPNZZCMT-KGLIPLIRSA-N 1 0 252.402 2.400 10 0 CEAERO CCOC(=O)[C@@H](C)NC(=O)Nc1cccc([C@@H](C)[NH2+]C)c1 ZINC000049495644 521017894 /nfs/dbraw/zinc/01/78/94/521017894.db2.gz DQOAOHIJGLHBTB-GHMZBOCLSA-N 1 0 293.367 2.040 10 0 CEAERO CCC[C@H](C)NC(=O)[C@H](C)[NH2+]C(C1CC1)C1CC1 ZINC000049234980 521054163 /nfs/dbraw/zinc/05/41/63/521054163.db2.gz YSOWLOLJQHTQFN-QWRGUYRKSA-N 1 0 252.402 2.458 10 0 CEAERO CCN(CC[NH2+]Cc1cccs1)C[C@H]1CCCO1 ZINC000053424850 521078620 /nfs/dbraw/zinc/07/86/20/521078620.db2.gz NCJVCQRCDVHURJ-CYBMUJFWSA-N 1 0 268.426 2.339 10 0 CEAERO CCC[C@H](CCS(=O)(=O)CC)C[NH2+]CC(C)C ZINC000052970885 521098298 /nfs/dbraw/zinc/09/82/98/521098298.db2.gz LEQMSCKDJUSSDL-CYBMUJFWSA-N 1 0 263.447 2.473 10 0 CEAERO CCN(CCOC)c1ccc(C[NH2+]CC(C)C)cn1 ZINC000051487358 521137110 /nfs/dbraw/zinc/13/71/10/521137110.db2.gz BRYYMIVRSVFZPK-UHFFFAOYSA-N 1 0 265.401 2.300 10 0 CEAERO CCOC(=O)[C@@](C[N@H+](C)C1CCC(C)CC1)(NC)C1CC1 ZINC000069146451 521165424 /nfs/dbraw/zinc/16/54/24/521165424.db2.gz CAKXMVOUVLHAIH-PGEKIEPBSA-N 1 0 296.455 2.428 10 0 CEAERO CCOC(=O)[C@@](C[NH+]1CCCCCC1)(NC1CC1)C1CC1 ZINC000069095122 521167502 /nfs/dbraw/zinc/16/75/02/521167502.db2.gz YFTSPKSKOAVCGN-KRWDZBQOSA-N 1 0 294.439 2.326 10 0 CEAERO CCN(C[C@@H]1CC[C@H](C[NH3+])O1)c1cccc(F)c1 ZINC000052506265 521231388 /nfs/dbraw/zinc/23/13/88/521231388.db2.gz IPQFSRUKVPPYIO-KGLIPLIRSA-N 1 0 252.333 2.158 10 0 CEAERO CCOc1ccc([C@H](C)[NH3+])cc1Cn1ccc(=O)cc1 ZINC000061627838 521251092 /nfs/dbraw/zinc/25/10/92/521251092.db2.gz WBRDGKABSGUPPN-LBPRGKRZSA-N 1 0 272.348 2.315 10 0 CEAERO CC[N@@H+](Cc1cc(F)ccc1C(N)=S)C[C@@H]1CCCO1 ZINC000069402765 521293594 /nfs/dbraw/zinc/29/35/94/521293594.db2.gz MOTSMVGSCSQBRE-ZDUSSCGKSA-N 1 0 296.411 2.461 10 0 CEAERO CCC(C)(C)N(C)C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000069444075 521294375 /nfs/dbraw/zinc/29/43/75/521294375.db2.gz UCTFAVLUWYLFTL-LLVKDONJSA-N 1 0 266.307 2.175 10 0 CEAERO CCC(C)(C)N(C)C(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000069449088 521294704 /nfs/dbraw/zinc/29/47/04/521294704.db2.gz HMUFAFDGEQKIJU-AWEZNQCLSA-N 1 0 260.381 2.348 10 0 CEAERO CCN(Cc1ccc(F)cc1F)C[C@@H](C)C(N)=[NH2+] ZINC000050884953 521314617 /nfs/dbraw/zinc/31/46/17/521314617.db2.gz FDXZBMBCXZOYTR-SECBINFHSA-N 1 0 255.312 2.359 10 0 CEAERO CCC(C)(C)NC(=O)COc1ccc2c(c1)OC[C@H]2[NH2+]C ZINC000062804062 521318837 /nfs/dbraw/zinc/31/88/37/521318837.db2.gz HFFQDTDJFGXGJJ-CYBMUJFWSA-N 1 0 292.379 2.023 10 0 CEAERO CCOC(=O)[C@](C)(N)CCCC[NH+]1Cc2ccccc2C1 ZINC000050912339 521325715 /nfs/dbraw/zinc/32/57/15/521325715.db2.gz IWPYDICLYTVVTG-QGZVFWFLSA-N 1 0 290.407 2.453 10 0 CEAERO CCOc1cccc(N2CCC(CC[NH2+]C)CC2)n1 ZINC000070190081 521382651 /nfs/dbraw/zinc/38/26/51/521382651.db2.gz RYIBLFNGVZRLKH-UHFFFAOYSA-N 1 0 263.385 2.306 10 0 CEAERO CCOc1cccc(NC(=O)[C@@H]2[NH2+]CCC[C@@H]2C)c1 ZINC000051793904 521394488 /nfs/dbraw/zinc/39/44/88/521394488.db2.gz QTJYQKZLAGZCGJ-SMDDNHRTSA-N 1 0 262.353 2.412 10 0 CEAERO CCOc1cccc(NC(=O)c2ccc(NN)[nH+]c2)c1 ZINC000051117879 521397614 /nfs/dbraw/zinc/39/76/14/521397614.db2.gz WNCNJFIYTXDYKC-UHFFFAOYSA-N 1 0 272.308 2.018 10 0 CEAERO CCN(Cc1ccco1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054307969 521398713 /nfs/dbraw/zinc/39/87/13/521398713.db2.gz UKVOHLICTAMPQA-LBPRGKRZSA-N 1 0 250.342 2.018 10 0 CEAERO CC[NH+]1CCC(CNC(=O)c2cc(C)ccc2NC)CC1 ZINC000053004556 521551966 /nfs/dbraw/zinc/55/19/66/521551966.db2.gz IOPIPDDWQDFONE-UHFFFAOYSA-N 1 0 289.423 2.498 10 0 CEAERO CCC(CC)N(CCOC)C(=O)[C@@H]1CC[C@H]([NH3+])C[C@@H]1C ZINC000055133782 521556957 /nfs/dbraw/zinc/55/69/57/521556957.db2.gz RIXVXOWPFAZMKR-KCQAQPDRSA-N 1 0 284.444 2.414 10 0 CEAERO CCC(CC)N(CCOC)C(=O)[C@@H]1C[C@H]([NH3+])CC[C@@H]1C ZINC000055133750 521557563 /nfs/dbraw/zinc/55/75/63/521557563.db2.gz CSGUJKXGYOZXNM-GZBFAFLISA-N 1 0 284.444 2.414 10 0 CEAERO CCC(CC)NC(=O)[C@@H](C)OCC[C@@H]1CCCC[NH2+]1 ZINC000051861893 521588105 /nfs/dbraw/zinc/58/81/05/521588105.db2.gz JZKLKSKBVDGEIM-OCCSQVGLSA-N 1 0 270.417 2.229 10 0 CEAERO CCC(CC)NC(=O)[C@H](C)[NH2+]C[C@H](C)CSC ZINC000069448202 521592585 /nfs/dbraw/zinc/59/25/85/521592585.db2.gz KZSZSPZXQADBED-QWRGUYRKSA-N 1 0 260.447 2.268 10 0 CEAERO CCC[N@H+](CC)C[C@](NC(C)C)(C(=O)OCC)C1CC1 ZINC000069098156 521613423 /nfs/dbraw/zinc/61/34/23/521613423.db2.gz RCKDMXCQZJORHZ-MRXNPFEDSA-N 1 0 284.444 2.428 10 0 CEAERO CCCn1c(=S)[nH]nc1N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055068983 521619639 /nfs/dbraw/zinc/61/96/39/521619639.db2.gz JHOGVQXDGQSGSI-NSHDSACASA-N 1 0 283.445 2.271 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)ccc2NC)C1 ZINC000053003477 521647127 /nfs/dbraw/zinc/64/71/27/521647127.db2.gz BVTKWYCYKSJZSC-ZDUSSCGKSA-N 1 0 275.396 2.251 10 0 CEAERO CC[N@@H+]1CCC[C@H](Nc2cc3c(cc2N)CCC(=O)N3)C1 ZINC000049193245 521649491 /nfs/dbraw/zinc/64/94/91/521649491.db2.gz ZSRROOVTAAUGED-LBPRGKRZSA-N 1 0 288.395 2.050 10 0 CEAERO CCCn1cc(Cl)cc1C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000070145562 521653704 /nfs/dbraw/zinc/65/37/04/521653704.db2.gz RQOJWUWIUMAJEQ-PWSUYJOCSA-N 1 0 283.803 2.361 10 0 CEAERO CCCn1cc([C@@H]([NH3+])Cc2csc(C)n2)cn1 ZINC000055294776 521654552 /nfs/dbraw/zinc/65/45/52/521654552.db2.gz OFJITGRUKWJOHH-LBPRGKRZSA-N 1 0 250.371 2.301 10 0 CEAERO CC[N@@H+]1CCC[C@H]1Cn1c(C)nc2cc(N)ccc21 ZINC000052842658 521659710 /nfs/dbraw/zinc/65/97/10/521659710.db2.gz FUGFTBMUPWPGLO-ZDUSSCGKSA-N 1 0 258.369 2.411 10 0 CEAERO CCCn1ccnc(NCC[NH+](C(C)C)C(C)C)c1=O ZINC000061762078 521660137 /nfs/dbraw/zinc/66/01/37/521660137.db2.gz DZNHHWDWUGAFMK-UHFFFAOYSA-N 1 0 280.416 2.184 10 0 CEAERO CCC1(CC)CCN(C[C@H]2C[C@@H](OC)C[NH2+]2)CC1 ZINC000062959865 521687462 /nfs/dbraw/zinc/68/74/62/521687462.db2.gz LQVYDCIGPGSYHW-ZIAGYGMSSA-N 1 0 254.418 2.266 10 0 CEAERO CCS(=O)(=O)c1ccccc1N(C)CC[C@H]([NH3+])C(C)C ZINC000156781757 521693089 /nfs/dbraw/zinc/69/30/89/521693089.db2.gz VTPBMPJMGNOHSM-ZDUSSCGKSA-N 1 0 298.452 2.290 10 0 CEAERO CCNC(=O)c1ccc(C)c(NC(=O)C(C)(C)[NH2+]CC)c1 ZINC000061293104 521747348 /nfs/dbraw/zinc/74/73/48/521747348.db2.gz WOHFJYRDSBIKRF-UHFFFAOYSA-N 1 0 291.395 2.071 10 0 CEAERO CC[C@H](C)Oc1cccc(NC(=O)[C@@H]([NH3+])CCOC)c1 ZINC000052810467 521777806 /nfs/dbraw/zinc/77/78/06/521777806.db2.gz MGXSEVWGJJSAEK-FZMZJTMJSA-N 1 0 280.368 2.166 10 0 CEAERO COCC[C@@H]([NH3+])C(=O)NCCCCCCC(C)C ZINC000052809775 521822866 /nfs/dbraw/zinc/82/28/66/521822866.db2.gz RCTYBUZGQQYQKO-CYBMUJFWSA-N 1 0 258.406 2.073 10 0 CEAERO COCC[C@@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000052791862 521823881 /nfs/dbraw/zinc/82/38/81/521823881.db2.gz KWINKXBOFXTLSA-YNEHKIRRSA-N 1 0 270.417 2.071 10 0 CEAERO C[NH+](C)C[C@@H]1CCCN1c1cccc(Cl)c1CO ZINC000061645468 521846678 /nfs/dbraw/zinc/84/66/78/521846678.db2.gz YWLBDGSUNWSCNB-NSHDSACASA-N 1 0 268.788 2.363 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1C(=O)c1cc(Cl)ccc1N ZINC000061641645 521863114 /nfs/dbraw/zinc/86/31/14/521863114.db2.gz UDLRRBJUXOGUJH-LLVKDONJSA-N 1 0 281.787 2.088 10 0 CEAERO CCc1ccccc1[C@@H](C[NH3+])N1CCSCC1 ZINC000052203411 521932173 /nfs/dbraw/zinc/93/21/73/521932173.db2.gz HBBXRDSDOVEYEZ-CQSZACIVSA-N 1 0 250.411 2.298 10 0 CEAERO C[NH2+]C(C)(C)C(=O)NCc1ccc2cc(OC)ccc2c1 ZINC000061318530 521936632 /nfs/dbraw/zinc/93/66/32/521936632.db2.gz BGPVEWMCAOVONM-UHFFFAOYSA-N 1 0 286.375 2.463 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N[C@H](C)c1cc(C)ccc1OC ZINC000061300777 521938444 /nfs/dbraw/zinc/93/84/44/521938444.db2.gz RDUUZGPUGRQGDI-LLVKDONJSA-N 1 0 264.369 2.179 10 0 CEAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(Br)cc1 ZINC000061300197 521941394 /nfs/dbraw/zinc/94/13/94/521941394.db2.gz RYYZCNPKDIWRBU-UHFFFAOYSA-N 1 0 271.158 2.386 10 0 CEAERO C[NH2+]C(C)(C)C(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000061300682 521941523 /nfs/dbraw/zinc/94/15/23/521941523.db2.gz FMXYFIFWBWZELE-UHFFFAOYSA-N 1 0 284.743 2.048 10 0 CEAERO COCC[C@H]([NH3+])C(=O)N[C@@H]1CC(C)(C)Cc2oc(C)cc21 ZINC000052807921 521941663 /nfs/dbraw/zinc/94/16/63/521941663.db2.gz ODBDFKGHJDWEPS-QWHCGFSZSA-N 1 0 294.395 2.082 10 0 CEAERO CCc1ccccc1[C@H](C[NH3+])N(C)Cc1cnn(C)c1 ZINC000052203732 521951886 /nfs/dbraw/zinc/95/18/86/521951886.db2.gz JLEWTRGWRUMHGI-INIZCTEOSA-N 1 0 272.396 2.114 10 0 CEAERO C[NH2+]CC1([C@@H]2CS(=O)(=O)c3ccccc32)CCCC1 ZINC000054655352 521972243 /nfs/dbraw/zinc/97/22/43/521972243.db2.gz PAOMONROOWRKEG-CYBMUJFWSA-N 1 0 279.405 2.337 10 0 CEAERO C[NH2+]CCc1noc(-c2ccc(F)cc2Cl)n1 ZINC000051850735 522023688 /nfs/dbraw/zinc/02/36/88/522023688.db2.gz BZDWCPNTFWKUKV-UHFFFAOYSA-N 1 0 255.680 2.291 10 0 CEAERO C[NH2+]C[C@@H](C)N1CCN(c2cccc(Cl)c2)CC1 ZINC000052418970 522032290 /nfs/dbraw/zinc/03/22/90/522032290.db2.gz PLOPTZWJNDMFFM-GFCCVEGCSA-N 1 0 267.804 2.070 10 0 CEAERO C[NH2+]C[C@@H](CCCOC)Cc1ccccc1OC ZINC000052980114 522033587 /nfs/dbraw/zinc/03/35/87/522033587.db2.gz GXJOCSFJBCCZRU-ZDUSSCGKSA-N 1 0 251.370 2.500 10 0 CEAERO C[NH2+]C[C@@H](OCCCOC)c1cccc(OC)c1 ZINC000050486666 522036783 /nfs/dbraw/zinc/03/67/83/522036783.db2.gz UUKTUMBVERNXQD-CQSZACIVSA-N 1 0 253.342 2.009 10 0 CEAERO C[NH2+]C[C@@H]1CCCCN1C(=O)Cc1cc(C)ccc1C ZINC000063167254 522038080 /nfs/dbraw/zinc/03/80/80/522038080.db2.gz YBPIQQGZSPZWSI-INIZCTEOSA-N 1 0 274.408 2.446 10 0 CEAERO C[NH2+]C[C@@H]1CC[C@H](COc2cc(F)cc(F)c2)O1 ZINC000054934614 522062399 /nfs/dbraw/zinc/06/23/99/522062399.db2.gz IZIDMLMTFIPFHT-NWDGAFQWSA-N 1 0 257.280 2.111 10 0 CEAERO C[NH2+]C[C@H](C(C)C)N1CCN(c2ccccc2)CC1 ZINC000052417250 522064574 /nfs/dbraw/zinc/06/45/74/522064574.db2.gz NURYEVQIQLTHBI-MRXNPFEDSA-N 1 0 261.413 2.053 10 0 CEAERO C[NH2+]C[C@H](CCC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000052950257 522075085 /nfs/dbraw/zinc/07/50/85/522075085.db2.gz HTPLCRXSSCNIGL-NWDGAFQWSA-N 1 0 261.431 2.083 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1Cc1nc2ccccc2[nH]1 ZINC000063168759 522079464 /nfs/dbraw/zinc/07/94/64/522079464.db2.gz IRZHTALFZYVESI-GFCCVEGCSA-N 1 0 258.369 2.137 10 0 CEAERO CC[C@@H](C)[N@H+](CC)Cc1ccnc(C(N)=S)c1 ZINC000068751930 522085673 /nfs/dbraw/zinc/08/56/73/522085673.db2.gz SMWHXLJAOGPNMB-SNVBAGLBSA-N 1 0 251.399 2.336 10 0 CEAERO C[NH2+]Cc1c2ccccc2oc1CN1CCOC[C@H]1C ZINC000052476008 522101804 /nfs/dbraw/zinc/10/18/04/522101804.db2.gz CSGXILLAMFZBLF-GFCCVEGCSA-N 1 0 274.364 2.373 10 0 CEAERO CC[C@H](CC1CC1)NS(=O)(=O)c1ccccc1C[NH3+] ZINC000070102623 522119918 /nfs/dbraw/zinc/11/99/18/522119918.db2.gz UVKWIVLNBHNVEB-CYBMUJFWSA-N 1 0 282.409 2.002 10 0 CEAERO C[NH2+]Cc1ccc(OCCn2nnc3ccccc32)cc1 ZINC000052576633 522121372 /nfs/dbraw/zinc/12/13/72/522121372.db2.gz VTCIRAMRBQJZTG-UHFFFAOYSA-N 1 0 282.347 2.230 10 0 CEAERO C[NH2+]Cc1cnc(N2CCc3ccccc3C2)s1 ZINC000054899814 522148402 /nfs/dbraw/zinc/14/84/02/522148402.db2.gz JJYZIZRFZBPHQS-UHFFFAOYSA-N 1 0 259.378 2.425 10 0 CEAERO C[NH2+]Cc1nc(COc2cccc(OC)c2)cs1 ZINC000052654911 522150871 /nfs/dbraw/zinc/15/08/71/522150871.db2.gz OKFHGMSLBKNICH-UHFFFAOYSA-N 1 0 264.350 2.450 10 0 CEAERO C[NH2+]Cc1nc(CN2C[C@H](C)C[C@@H](C)C2)cs1 ZINC000052420413 522151447 /nfs/dbraw/zinc/15/14/47/522151447.db2.gz FNUWKYHNQVHJJY-GHMZBOCLSA-N 1 0 253.415 2.340 10 0 CEAERO C[NH2+]Cc1nccn1Cc1cccc2cccnc21 ZINC000051004387 522155150 /nfs/dbraw/zinc/15/51/50/522155150.db2.gz DGVAZJMMFBDJJY-UHFFFAOYSA-N 1 0 252.321 2.199 10 0 CEAERO C[NH2+]Cc1nnc(-c2cc(C)nc3ccccc32)o1 ZINC000050615357 522155660 /nfs/dbraw/zinc/15/56/60/522155660.db2.gz DIOQFUVWMNRGOL-UHFFFAOYSA-N 1 0 254.293 2.313 10 0 CEAERO C[NH2+]Cc1oc2ccccc2c1CN1CCO[C@H](C)C1 ZINC000052382401 522162075 /nfs/dbraw/zinc/16/20/75/522162075.db2.gz CKHFNOYCRCCBNM-GFCCVEGCSA-N 1 0 274.364 2.373 10 0 CEAERO COC[C@@H](C)N(C)CC[NH2+]Cc1sccc1C ZINC000053392025 522215475 /nfs/dbraw/zinc/21/54/75/522215475.db2.gz LZHWWUIIVKRDOW-GFCCVEGCSA-N 1 0 256.415 2.113 10 0 CEAERO COC[C@@H](C)Oc1ccc(C[NH3+])cc1Br ZINC000069901711 522260645 /nfs/dbraw/zinc/26/06/45/522260645.db2.gz FSWQXCCCLLYWMY-MRVPVSSYSA-N 1 0 274.158 2.322 10 0 CEAERO COC[C@@H](C)N(C)Cc1csc(C[NH2+]C(C)C)n1 ZINC000052511223 522220696 /nfs/dbraw/zinc/22/06/96/522220696.db2.gz MXFVVNRDNUBPMT-LLVKDONJSA-N 1 0 271.430 2.108 10 0 CEAERO CC[C@@H](C)[NH2+]C[C@H](C)n1nnc(-c2ccccc2)n1 ZINC000053500272 522227404 /nfs/dbraw/zinc/22/74/04/522227404.db2.gz FPVFHCALGSWKIE-NEPJUHHUSA-N 1 0 259.357 2.289 10 0 CEAERO CC[C@@H](C)[NH2+]CCSc1nnc2ccccn21 ZINC000061409068 522227818 /nfs/dbraw/zinc/22/78/18/522227818.db2.gz QQBQVOHSXWMSFV-SNVBAGLBSA-N 1 0 250.371 2.210 10 0 CEAERO COC[C@@H]([NH3+])Cc1ccc(F)c(Br)c1 ZINC000049672283 522312426 /nfs/dbraw/zinc/31/24/26/522312426.db2.gz CDTLVWDTYBCGQQ-QMMMGPOBSA-N 1 0 262.122 2.104 10 0 CEAERO COc1cc(CC[NH3+])cc(Cl)c1OC1CCOCC1 ZINC000069310468 522327103 /nfs/dbraw/zinc/32/71/03/522327103.db2.gz ZEHSCACYSIRWMD-UHFFFAOYSA-N 1 0 285.771 2.408 10 0 CEAERO CC[C@H]([NH3+])Cc1cc(C)ccc1OCCCC(=O)NC ZINC000068820396 522333845 /nfs/dbraw/zinc/33/38/45/522333845.db2.gz NVZOWWMHXJVIEL-AWEZNQCLSA-N 1 0 278.396 2.180 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(OC[C@@H](O)C(F)(F)F)cc1 ZINC000068876363 522334438 /nfs/dbraw/zinc/33/44/38/522334438.db2.gz CAPYBWOINRWUMV-GZMMTYOYSA-N 1 0 263.259 2.269 10 0 CEAERO CC[C@H]([NH3+])Cc1cnc(Cc2ccc(F)cc2)nc1 ZINC000054858235 522334766 /nfs/dbraw/zinc/33/47/66/522334766.db2.gz ROEUBCLZCKOJIW-AWEZNQCLSA-N 1 0 259.328 2.486 10 0 CEAERO CC[C@H]([NH3+])Cc1cnn(Cc2cc(F)ccc2F)c1 ZINC000054741649 522334878 /nfs/dbraw/zinc/33/48/78/522334878.db2.gz KVMSITPPKHPVED-ZDUSSCGKSA-N 1 0 265.307 2.489 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1cc(C)nn1C)C(F)(F)F ZINC000052309668 522337828 /nfs/dbraw/zinc/33/78/28/522337828.db2.gz DQFPTRSAMMRIGV-IONNQARKSA-N 1 0 267.320 2.489 10 0 CEAERO CN(C)c1nc2sccn2c1C[NH2+]C(C)(C)C ZINC000062734877 522339791 /nfs/dbraw/zinc/33/97/91/522339791.db2.gz LLRVVHGAZVDMHE-UHFFFAOYSA-N 1 0 252.387 2.350 10 0 CEAERO C[NH2+][C@@H](C)c1sc(N2CCC(OC)CC2)nc1C ZINC000054903149 522340573 /nfs/dbraw/zinc/34/05/73/522340573.db2.gz MZLVLOGTGQSQAS-VIFPVBQESA-N 1 0 269.414 2.347 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1cc(C)nn1C)c1cnn(C)c1 ZINC000052308956 522342129 /nfs/dbraw/zinc/34/21/29/522342129.db2.gz REBVCWQJTANVBR-WCQYABFASA-N 1 0 279.413 2.033 10 0 CEAERO C[NH2+][C@@H](c1ccc2c(c1)CC(C)(C)O2)[C@@H]1COCCO1 ZINC000055301485 522369604 /nfs/dbraw/zinc/36/96/04/522369604.db2.gz UWZXVLBTMLFEAY-GJZGRUSLSA-N 1 0 277.364 2.076 10 0 CEAERO CCc1nc(N(C)C2CC[NH+](C)CC2)sc1C=O ZINC000054967089 522377812 /nfs/dbraw/zinc/37/78/12/522377812.db2.gz OFFNYTLPPPIYSZ-UHFFFAOYSA-N 1 0 267.398 2.048 10 0 CEAERO CCc1nc(Cn2nc(C)c(C[NH2+]C)c2C)cs1 ZINC000049275994 522379171 /nfs/dbraw/zinc/37/91/71/522379171.db2.gz KPFDLNCPHRXRPH-UHFFFAOYSA-N 1 0 264.398 2.287 10 0 CEAERO CCc1nc(N(CCOC)CC(C)C)sc1C[NH3+] ZINC000054998849 522383053 /nfs/dbraw/zinc/38/30/53/522383053.db2.gz QYYWZWALPMPGRL-UHFFFAOYSA-N 1 0 271.430 2.273 10 0 CEAERO C[NH2+][C@@H]1COc2cc(OCCc3ccccn3)ccc21 ZINC000062804267 522400777 /nfs/dbraw/zinc/40/07/77/522400777.db2.gz SAVJIBNVSHRJEK-OAHLLOKOSA-N 1 0 270.332 2.356 10 0 CEAERO COC(=O)c1occc1C[NH2+]C[C@@H](C)CSC ZINC000069438111 522413716 /nfs/dbraw/zinc/41/37/16/522413716.db2.gz BGDCDJKRKNNHSE-SECBINFHSA-N 1 0 257.355 2.155 10 0 CEAERO CN[C@@](C)(C[C@@H](C)[NH+](CC1CC1)CC1CC1)C(=O)OC ZINC000068647966 522415623 /nfs/dbraw/zinc/41/56/23/522415623.db2.gz HLJNZPOARYKQAK-WBMJQRKESA-N 1 0 282.428 2.038 10 0 CEAERO C[NH2+][C@@](C)(C[C@H](C)[N@@H+]1CC[C@H](c2ccccc2)C1)C(=O)[O-] ZINC000068641731 522420023 /nfs/dbraw/zinc/42/00/23/522420023.db2.gz RHISECNTFSPNPC-QRTARXTBSA-N 1 0 290.407 2.317 10 0 CEAERO C[NH2+][C@@](C)(C[C@H](C)Oc1ccc2c(c1)CCCC2)C(N)=O ZINC000068652518 522421260 /nfs/dbraw/zinc/42/12/60/522421260.db2.gz BXKIQXYCJSGEQG-SJCJKPOMSA-N 1 0 290.407 2.186 10 0 CEAERO C[NH2+][C@@](C)(C[C@H](C)n1ccnc1-c1cccs1)C(N)=O ZINC000068649659 522423272 /nfs/dbraw/zinc/42/32/72/522423272.db2.gz MKDJWJNEMHYXIN-HZMBPMFUSA-N 1 0 292.408 2.026 10 0 CEAERO C[NH2+][C@@](CSc1ccc2c(c1)CCC2)(C(N)=O)C1CC1 ZINC000069188151 522432992 /nfs/dbraw/zinc/43/29/92/522432992.db2.gz PYVXZUNGYUZKAW-MRXNPFEDSA-N 1 0 290.432 2.121 10 0 CEAERO C[NH2+][C@H](C)c1ccccc1NC(=O)C1CCOCC1 ZINC000061671106 522451414 /nfs/dbraw/zinc/45/14/14/522451414.db2.gz UJJNGFQIAASEKP-LLVKDONJSA-N 1 0 262.353 2.332 10 0 CEAERO C[NH2+][C@H](C)c1cccc(NC(=O)N[C@@H]2CCCC[C@@H]2O)c1 ZINC000052015629 522451895 /nfs/dbraw/zinc/45/18/95/522451895.db2.gz JCPVMSBJOWMJBZ-DFBGVHRSSA-N 1 0 291.395 2.392 10 0 CEAERO C[NH2+][C@H](C)c1sc(N(C)C2CCOCC2)nc1C ZINC000054904557 522455587 /nfs/dbraw/zinc/45/55/87/522455587.db2.gz COYKAEFOUHNBLV-SECBINFHSA-N 1 0 269.414 2.347 10 0 CEAERO C[NH2+][C@H](CS(C)(=O)=O)c1ccc(C(C)C)cc1 ZINC000054930288 522471161 /nfs/dbraw/zinc/47/11/61/522471161.db2.gz KTPOZLFQXDRDNG-CYBMUJFWSA-N 1 0 255.383 2.115 10 0 CEAERO C[NH2+][C@H](c1cc(OC)c(OC)cc1F)[C@@H]1CCOC1 ZINC000061561004 522477398 /nfs/dbraw/zinc/47/73/98/522477398.db2.gz XSVMVZHGLMOHEG-OTYXRUKQSA-N 1 0 269.316 2.140 10 0 CEAERO COc1cc(C[NH2+][C@H](CN(C)C)C(C)C)cc(OC)c1 ZINC000049196950 522486654 /nfs/dbraw/zinc/48/66/54/522486654.db2.gz BXUIESGBDOTIPW-MRXNPFEDSA-N 1 0 280.412 2.380 10 0 CEAERO COc1cc(C[NH2+][C@H](CN(C)C)C(C)C)cc(OC)c1O ZINC000049197117 522487829 /nfs/dbraw/zinc/48/78/29/522487829.db2.gz BKTGUZFLDHWHFM-CYBMUJFWSA-N 1 0 296.411 2.085 10 0 CEAERO COc1cc(C[C@@H](C)[NH3+])cc(OC)c1OC[C@H]1CCOC1 ZINC000049689983 522503019 /nfs/dbraw/zinc/50/30/19/522503019.db2.gz RHOASENHBJVFPO-NEPJUHHUSA-N 1 0 295.379 2.009 10 0 CEAERO CCc1nc2ccccc2n1Cc1cccnc1C(N)=[NH2+] ZINC000062807748 522505379 /nfs/dbraw/zinc/50/53/79/522505379.db2.gz OCCWUKACPJVIPR-UHFFFAOYSA-N 1 0 279.347 2.326 10 0 CEAERO C[NH2+][C@](C)(C[C@H](C)Oc1cc(C)cc(C)c1C)C(N)=O ZINC000068657200 522523823 /nfs/dbraw/zinc/52/38/23/522523823.db2.gz HRZOCIOHBMYIRL-BLLLJJGKSA-N 1 0 278.396 2.233 10 0 CEAERO CN[C@](C)(C[C@H](C)[NH+]1CCC2(CCCCC2)CC1)C(N)=O ZINC000068643086 522524257 /nfs/dbraw/zinc/52/42/57/522524257.db2.gz PKIQXHYGGUDIGF-GOEBONIOSA-N 1 0 295.471 2.275 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)Nc1cccc2ccc(C)nc21 ZINC000061875150 522528596 /nfs/dbraw/zinc/52/85/96/522528596.db2.gz JUYMCTPCWUHYLN-NSHDSACASA-N 1 0 257.337 2.467 10 0 CEAERO C[NH2+][C@](COc1ccc(C(C)C)c(C)c1)(C(N)=O)C1CC1 ZINC000069197209 522529528 /nfs/dbraw/zinc/52/95/28/522529528.db2.gz XIEHLFATGYEIIG-KRWDZBQOSA-N 1 0 290.407 2.351 10 0 CEAERO C[NH2+][C@](COc1cccc2ccccc21)(C(N)=O)C1CC1 ZINC000069197725 522530790 /nfs/dbraw/zinc/53/07/90/522530790.db2.gz ZGWFMMLKQVQRLU-KRWDZBQOSA-N 1 0 284.359 2.072 10 0 CEAERO CC[C@@H](C[NH2+]C1CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000052418193 522545911 /nfs/dbraw/zinc/54/59/11/522545911.db2.gz VDNKWRLHEFPXIO-INIZCTEOSA-N 1 0 291.414 2.478 10 0 CEAERO CC[C@H]([NH2+]CC(=O)N[C@@H](C)COC)C1CCCCC1 ZINC000052338480 522567749 /nfs/dbraw/zinc/56/77/49/522567749.db2.gz GGMBKGBKVPGUJJ-JSGCOSHPSA-N 1 0 270.417 2.086 10 0 CEAERO COC[C@H](C)C[NH2+]Cc1c(C)nc2sccn12 ZINC000045657520 522579583 /nfs/dbraw/zinc/57/95/83/522579583.db2.gz XVCVYCYWGINESN-SECBINFHSA-N 1 0 253.371 2.076 10 0 CEAERO COC[C@H](C)[N@H+](C)[C@@H](CC(N)=S)c1ccccc1 ZINC000055025145 522596061 /nfs/dbraw/zinc/59/60/61/522596061.db2.gz VEGXFXZNJHRGFT-AAEUAGOBSA-N 1 0 266.410 2.371 10 0 CEAERO COc1cc(F)ccc1NC(=O)[C@@H]1CCC[C@@H](C)[NH2+]1 ZINC000049570467 522608570 /nfs/dbraw/zinc/60/85/70/522608570.db2.gz JDEKTDPQHOJAQP-SKDRFNHKSA-N 1 0 266.316 2.303 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc(OC)ccc1OCc1ncccn1 ZINC000054461717 522643390 /nfs/dbraw/zinc/64/33/90/522643390.db2.gz NWAPNHPZLPZFNL-CYBMUJFWSA-N 1 0 287.363 2.344 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1CC)c1ccc(C)o1 ZINC000061594429 522649578 /nfs/dbraw/zinc/64/95/78/522649578.db2.gz HNFXBGNDJCHPBO-MWLCHTKSSA-N 1 0 296.396 2.063 10 0 CEAERO CC[C@@H]([NH3+])[C@@](O)(c1ccc(N(C)C)cc1)C(F)(F)F ZINC000062784252 522652335 /nfs/dbraw/zinc/65/23/35/522652335.db2.gz LPAFITSTTOZGJU-NEPJUHHUSA-N 1 0 276.302 2.240 10 0 CEAERO CC[C@@H](NC(=O)C1(C[NH3+])CCOCC1)c1ccccc1 ZINC000051627439 522666917 /nfs/dbraw/zinc/66/69/17/522666917.db2.gz KJWQMESZCWJSEI-CQSZACIVSA-N 1 0 276.380 2.009 10 0 CEAERO CC[C@H](NS(=O)(=O)CCCC[NH3+])C1CCCCC1 ZINC000052341384 522678244 /nfs/dbraw/zinc/67/82/44/522678244.db2.gz MKWHUOFMZRKXOL-ZDUSSCGKSA-N 1 0 276.446 2.004 10 0 CEAERO CNc1snnc1CN1CCC([NH+]2CCCCC2)CC1 ZINC000050814622 522733283 /nfs/dbraw/zinc/73/32/83/522733283.db2.gz XJTIPDPEDAQNJV-UHFFFAOYSA-N 1 0 295.456 2.030 10 0 CEAERO CCC1N=NC(=S)N1[C@H](C)C[NH+]1CCCCC1 ZINC000049502272 522780463 /nfs/dbraw/zinc/78/04/63/522780463.db2.gz YGVJSZHZOAZJJY-SNVBAGLBSA-N 1 0 254.403 2.176 10 0 CEAERO CN(CC[NH2+]C(C1CC1)C1CC1)Cc1ccccn1 ZINC000053383066 522862865 /nfs/dbraw/zinc/86/28/65/522862865.db2.gz AWJJEXTUUQFQSG-UHFFFAOYSA-N 1 0 259.397 2.292 10 0 CEAERO COc1cc(OC)cc(O[C@@H](C)C[NH2+]C(C)C)c1 ZINC000070144258 522871537 /nfs/dbraw/zinc/87/15/37/522871537.db2.gz RUOMNDSPFBABBZ-NSHDSACASA-N 1 0 253.342 2.469 10 0 CEAERO COc1cc([C@@H](C)[NH3+])ccc1OC[C@H](O)C(F)(F)F ZINC000068875696 522903189 /nfs/dbraw/zinc/90/31/89/522903189.db2.gz SOLVQMPJZBSRPB-HQJQHLMTSA-N 1 0 279.258 2.017 10 0 CEAERO COc1cc2c(cc1OC)CN([C@H](C)C[NH2+]C(C)C)CC2 ZINC000052417227 523031430 /nfs/dbraw/zinc/03/14/30/523031430.db2.gz JFHQVMZUTVLIFV-CYBMUJFWSA-N 1 0 292.423 2.448 10 0 CEAERO CC[C@H]1CCCN(C(=O)[C@@]2(CC)CCC[NH2+]C2)C1 ZINC000062854247 523080149 /nfs/dbraw/zinc/08/01/49/523080149.db2.gz OOBPBIAVRHTFTG-ZFWWWQNUSA-N 1 0 252.402 2.415 10 0 CEAERO COCc1ccccc1NC(=O)[C@H]1CCC[C@@H](C)[NH2+]1 ZINC000049512007 523120874 /nfs/dbraw/zinc/12/08/74/523120874.db2.gz GSUHVKSIATXVNM-BXUZGUMPSA-N 1 0 262.353 2.302 10 0 CEAERO C[N@H+](Cc1cc2ccccc2nc1N)C1CCOCC1 ZINC000050814127 523183795 /nfs/dbraw/zinc/18/37/95/523183795.db2.gz XKYSNQZRVBXLTK-UHFFFAOYSA-N 1 0 271.364 2.428 10 0 CEAERO COCCCN(C)c1ccc(F)cc1C[NH2+]CCOC ZINC000062738422 523235552 /nfs/dbraw/zinc/23/55/52/523235552.db2.gz IHSHJGWHIIQCAT-UHFFFAOYSA-N 1 0 284.375 2.034 10 0 CEAERO CN(Cc1ccc(F)cc1)Cc1ccc[nH+]c1NN ZINC000052722909 523252746 /nfs/dbraw/zinc/25/27/46/523252746.db2.gz PCPSOINJOKTTQO-UHFFFAOYSA-N 1 0 260.316 2.138 10 0 CEAERO CN(Cc1ccc(O)cc1)C(=O)[C@H](C[NH3+])c1ccccc1 ZINC000061612202 523267702 /nfs/dbraw/zinc/26/77/02/523267702.db2.gz GTGQHMVIIZBYQR-MRXNPFEDSA-N 1 0 284.359 2.093 10 0 CEAERO CN(Cc1cccc(F)c1)Cc1cccnc1C[NH3+] ZINC000061656493 523310360 /nfs/dbraw/zinc/31/03/60/523310360.db2.gz CPPVQTYITKYEFY-UHFFFAOYSA-N 1 0 259.328 2.311 10 0 CEAERO CO[C@@H](C(=O)Nc1cccc(C[NH3+])c1)c1ccccc1 ZINC000050436852 523335580 /nfs/dbraw/zinc/33/55/80/523335580.db2.gz XZPIOQDHNUFCIA-OAHLLOKOSA-N 1 0 270.332 2.472 10 0 CEAERO CC[C@H]1COCCN1c1ncc([C@@H](C)[NH2+]C)s1 ZINC000054904715 523338028 /nfs/dbraw/zinc/33/80/28/523338028.db2.gz IWQLVRNOPIZVEB-ZJUUUORDSA-N 1 0 255.387 2.039 10 0 CEAERO CC[C@H]1CO[C@@H](C)CN1[C@@H](C[NH2+]C)c1ccccc1 ZINC000052571254 523346629 /nfs/dbraw/zinc/34/66/29/523346629.db2.gz RJAOAYGZLIAXQQ-BPUTZDHNSA-N 1 0 262.397 2.446 10 0 CEAERO CCn1cc(CN(CCC[NH3+])c2ccccc2OC)cn1 ZINC000050539163 523366221 /nfs/dbraw/zinc/36/62/21/523366221.db2.gz LLEVGOKABLGEAR-UHFFFAOYSA-N 1 0 288.395 2.267 10 0 CEAERO CCn1cc(COc2cccc3c2CC[C@@H]3[NH3+])cn1 ZINC000062798484 523391580 /nfs/dbraw/zinc/39/15/80/523391580.db2.gz SMFDWLDNXAUEGI-AWEZNQCLSA-N 1 0 257.337 2.428 10 0 CEAERO CCn1cc(C[C@@H](Cc2ccc(OC)cc2)[NH2+]C)cn1 ZINC000050543033 523394306 /nfs/dbraw/zinc/39/43/06/523394306.db2.gz XEJLFNZNWAUNGF-OAHLLOKOSA-N 1 0 273.380 2.285 10 0 CEAERO CCn1cc(C[C@H]([NH3+])Cc2ccccc2OC)cn1 ZINC000050543001 523395661 /nfs/dbraw/zinc/39/56/61/523395661.db2.gz QBSRMPJEWMBJCT-AWEZNQCLSA-N 1 0 259.353 2.024 10 0 CEAERO COCCCOc1ccc(Cl)cc1C[NH2+]CCOC ZINC000062730990 523415218 /nfs/dbraw/zinc/41/52/18/523415218.db2.gz YJSXXMKORMWJDA-UHFFFAOYSA-N 1 0 287.787 2.491 10 0 CEAERO CC[C@](C)(C[NH2+]C(C)(C)C)CN(CCOC)CCOC ZINC000051258387 523462984 /nfs/dbraw/zinc/46/29/84/523462984.db2.gz VIPGQAALOVKISQ-MRXNPFEDSA-N 1 0 288.476 2.386 10 0 CEAERO CC[C@@H]1COCCN1c1nc(C2CC2)c(C[NH3+])s1 ZINC000069179957 523503623 /nfs/dbraw/zinc/50/36/23/523503623.db2.gz LJXNLKRSGAKLMH-SNVBAGLBSA-N 1 0 267.398 2.094 10 0 CEAERO CC[C@@H]1COCCN1c1ncccc1C[NH2+]CC(C)C ZINC000051446823 523504086 /nfs/dbraw/zinc/50/40/86/523504086.db2.gz SKKUNUGIZAOKNH-OAHLLOKOSA-N 1 0 277.412 2.442 10 0 CEAERO COc1ccc(Br)cc1NCC[NH+](C)C ZINC000049566843 523504280 /nfs/dbraw/zinc/50/42/80/523504280.db2.gz CLRWVHBNFWWTQV-UHFFFAOYSA-N 1 0 273.174 2.431 10 0 CEAERO CC[C@@H]1CO[C@@H](C)CN1CC[NH2+]C1CCCCC1 ZINC000053342684 523505338 /nfs/dbraw/zinc/50/53/38/523505338.db2.gz YBKLFOQCOZFVNO-DZGCQCFKSA-N 1 0 254.418 2.408 10 0 CEAERO CC[C@@H]1CO[C@@H](C)CN1[C@@H](C[NH2+]C1CC1)C(C)C ZINC000052570735 523507197 /nfs/dbraw/zinc/50/71/97/523507197.db2.gz IORBOYVXKHWAHS-CFVMTHIKSA-N 1 0 254.418 2.262 10 0 CEAERO CC[C@@H]1CO[C@H](C)CN1c1[nH+]c(C)cc(C)c1CO ZINC000048916272 523520563 /nfs/dbraw/zinc/52/05/63/523520563.db2.gz FBKJRFVYEVHJRX-CHWSQXEVSA-N 1 0 264.369 2.194 10 0 CEAERO CC[C@]1(C(=O)N2CC[C@H](C)C[C@@H]2C)CCC[NH2+]C1 ZINC000062860896 523536131 /nfs/dbraw/zinc/53/61/31/523536131.db2.gz FVZBYALDTVQBRU-YDHLFZDLSA-N 1 0 252.402 2.413 10 0 CEAERO CC[C@]1(C(=O)NCc2ccc(C)s2)CCC[NH2+]C1 ZINC000062860710 523539187 /nfs/dbraw/zinc/53/91/87/523539187.db2.gz MCLVBPJSIHKIBB-AWEZNQCLSA-N 1 0 266.410 2.453 10 0 CEAERO CC[C@]1(C(=O)N[C@H](C)c2cccnc2)CCC[NH2+]C1 ZINC000062853748 523541918 /nfs/dbraw/zinc/54/19/18/523541918.db2.gz YPLGEWZDZIEJMS-DOMZBBRYSA-N 1 0 261.369 2.039 10 0 CEAERO CCn1ccnc1[C@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC000069498017 523555331 /nfs/dbraw/zinc/55/53/31/523555331.db2.gz SNJILKHCCOCZOY-GFCCVEGCSA-N 1 0 251.280 2.424 10 0 CEAERO CC[C@]1(C)C[NH2+][C@@H](C)CN1Cc1cn2ccccc2n1 ZINC000068698411 523576166 /nfs/dbraw/zinc/57/61/66/523576166.db2.gz KXNCZJOSFONPQT-XJKSGUPXSA-N 1 0 272.396 2.297 10 0 CEAERO CC[C@]1(C)C[C@H]([NH2+]CCc2nnc3ccccn32)CCO1 ZINC000070346148 523591196 /nfs/dbraw/zinc/59/11/96/523591196.db2.gz MVYCSHYOQHXGMD-CZUORRHYSA-N 1 0 288.395 2.209 10 0 CEAERO CO[C@@H]1CCC[C@@H]([NH2+]C2(CO)CCC(C)CC2)C1 ZINC000070327623 523616986 /nfs/dbraw/zinc/61/69/86/523616986.db2.gz HZASAGIYCRZERT-PIOWNMBXSA-N 1 0 255.402 2.475 10 0 CEAERO CO[C@@H]1CCC[C@H](OC(=O)CC[NH2+]C(C)(C)C)C1 ZINC000070323129 523647326 /nfs/dbraw/zinc/64/73/26/523647326.db2.gz FDKPINCTZPSFKO-NEPJUHHUSA-N 1 0 257.374 2.265 10 0 CEAERO CCc1c(C)nn([C@H](C)C[NH2+]C[C@H]2CCCO2)c1C ZINC000053540974 523717130 /nfs/dbraw/zinc/71/71/30/523717130.db2.gz XLOJEWCVUTYQDU-BXUZGUMPSA-N 1 0 265.401 2.392 10 0 CEAERO CC[C@@]1(C)C[C@@H]([NH2+][C@@H](C)Cn2cccn2)CCO1 ZINC000070356539 523723699 /nfs/dbraw/zinc/72/36/99/523723699.db2.gz ZHFQRAMFQQIXSW-IHRRRGAJSA-N 1 0 251.374 2.209 10 0 CEAERO CCn1nccc1[C@@H](Cc1ccc(OC)cc1)[NH2+]C ZINC000069471442 523744410 /nfs/dbraw/zinc/74/44/10/523744410.db2.gz OOJHAERADLDLIZ-CQSZACIVSA-N 1 0 259.353 2.415 10 0 CEAERO CC[C@H](C(=O)N1[C@H](C)C[NH2+]C[C@@H]1C)c1ccccc1 ZINC000069132831 523769839 /nfs/dbraw/zinc/76/98/39/523769839.db2.gz YQJHKCNZDMCFDB-GUTXKFCHSA-N 1 0 260.381 2.389 10 0 CEAERO C[NH+]1CCC(Oc2cccc(Cl)c2C(N)=S)CC1 ZINC000052908558 523782988 /nfs/dbraw/zinc/78/29/88/523782988.db2.gz VZPCHLUCOKBSKO-UHFFFAOYSA-N 1 0 284.812 2.447 10 0 CEAERO COc1ccc(C)cc1C[N@H+](C)[C@@H](C)C(N)=S ZINC000050704109 523808619 /nfs/dbraw/zinc/80/86/19/523808619.db2.gz CGJZBIIZJNZLCO-JTQLQIEISA-N 1 0 252.383 2.110 10 0 CEAERO COCCN1C[C@@H](CC(C)C)[NH2+]C[C@@H]1CC(C)C ZINC000062626414 523883663 /nfs/dbraw/zinc/88/36/63/523883663.db2.gz UHLWRVJEXFGEMQ-CABCVRRESA-N 1 0 256.434 2.367 10 0 CEAERO CN(C(=O)[C@@H](C[NH3+])c1ccccc1)c1ccccc1 ZINC000061610590 523892116 /nfs/dbraw/zinc/89/21/16/523892116.db2.gz ADEUECUSQHJFQL-HNNXBMFYSA-N 1 0 254.333 2.392 10 0 CEAERO CC[C@H](C)C[C@@H](C[NH2+]C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000052951753 523899157 /nfs/dbraw/zinc/89/91/57/523899157.db2.gz CXCIQQPZZWWDNV-XQQFMLRXSA-N 1 0 273.442 2.226 10 0 CEAERO COc1ccc(CCC(=O)NC[C@@H]2CCC[C@@H](C)[NH2+]2)cc1 ZINC000051573292 523922948 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CEAERO C[C@H]1CCC[C@@H](C[NH3+])N1C(=O)c1ccc(F)c(F)c1 ZINC000070151361 524133985 /nfs/dbraw/zinc/13/39/85/524133985.db2.gz NMNXDEQPBXBWSU-ONGXEEELSA-N 1 0 268.307 2.307 10 0 CEAERO COc1cccc([C@H](C)C(=O)N[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000157660673 524142660 /nfs/dbraw/zinc/14/26/60/524142660.db2.gz UDLWGFKEISWFPF-LNSITVRQSA-N 1 0 276.380 2.042 10 0 CEAERO COc1ccc(C[C@H](C)[NH3+])c(OC[C@@H]2CCOC2)c1 ZINC000049690002 524152957 /nfs/dbraw/zinc/15/29/57/524152957.db2.gz ZMIZBEIXZGYOFA-NWDGAFQWSA-N 1 0 265.353 2.000 10 0 CEAERO C[C@H]1CCC[C@@](CNc2ccnc(N(C)C)n2)([NH+](C)C)C1 ZINC000068690096 524172405 /nfs/dbraw/zinc/17/24/05/524172405.db2.gz NIPPFBJYJXUENC-XJKSGUPXSA-N 1 0 291.443 2.465 10 0 CEAERO Cc1cccc(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000063188993 524172677 /nfs/dbraw/zinc/17/26/77/524172677.db2.gz VAADUADAGSCQBD-DZGCQCFKSA-N 1 0 273.380 2.137 10 0 CEAERO C[C@H]1CCC[C@H](C[NH3+])N1c1cnc2ccccc2n1 ZINC000070158121 524194437 /nfs/dbraw/zinc/19/44/37/524194437.db2.gz XTQBUTHPOCFDJW-NWDGAFQWSA-N 1 0 256.353 2.336 10 0 CEAERO C[C@H]1CCN(C(=O)CCCc2ccccc2)C[C@H]1[NH3+] ZINC000070145338 524235205 /nfs/dbraw/zinc/23/52/05/524235205.db2.gz VCFUGMHOGCUBDQ-DZGCQCFKSA-N 1 0 260.381 2.205 10 0 CEAERO C[C@@H]1CCCN(Cc2[nH+]c(NN)ccc2Cl)C1 ZINC000061638932 524237787 /nfs/dbraw/zinc/23/77/87/524237787.db2.gz SXEBCPYIVVKVND-SECBINFHSA-N 1 0 254.765 2.253 10 0 CEAERO Cc1cccc(C(C)C)c1NS(=O)(=O)N(C)CCC[NH3+] ZINC000049061321 524242992 /nfs/dbraw/zinc/24/29/92/524242992.db2.gz XTVZXMFCHNIOKP-UHFFFAOYSA-N 1 0 299.440 2.056 10 0 CEAERO C[C@H]1CCN(C(=O)c2cc(Cl)c(Cl)[nH]2)C[C@@H]1[NH3+] ZINC000070145252 524263164 /nfs/dbraw/zinc/26/31/64/524263164.db2.gz WAFQUEXKMAQEDA-XPUUQOCRSA-N 1 0 276.167 2.131 10 0 CEAERO C[C@@H]1CCC[NH2+][C@@H]1C(=O)N(C)CC1CCCCC1 ZINC000051793544 524263483 /nfs/dbraw/zinc/26/34/83/524263483.db2.gz PNMSARBFOVWDCU-OCCSQVGLSA-N 1 0 252.402 2.413 10 0 CEAERO Cc1ccc(CCC(=O)N(C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000052945806 524283417 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/nfs/dbraw/zinc/38/99/23/524389923.db2.gz CKMPQUMFHIGROZ-HIFRSBDPSA-N 1 0 254.418 2.266 10 0 CEAERO Cc1cc(C)cc(Cc2nc(C)cc(CC[NH3+])n2)c1 ZINC000054833763 524401459 /nfs/dbraw/zinc/40/14/59/524401459.db2.gz CAKOMKYQYPHRMJ-UHFFFAOYSA-N 1 0 255.365 2.494 10 0 CEAERO C[C@H]1CC[C@H](C[NH3+])CN1C(=O)[C@@H]1CCOc2ccccc21 ZINC000070179645 524406401 /nfs/dbraw/zinc/40/64/01/524406401.db2.gz QCHAZAWNZQONKI-GZBFAFLISA-N 1 0 288.391 2.139 10 0 CEAERO Cc1ccc(C[NH3+])cc1NC(=O)c1ccc(O)cc1 ZINC000050430660 524424913 /nfs/dbraw/zinc/42/49/13/524424913.db2.gz JVENWZOPNZXCFP-UHFFFAOYSA-N 1 0 256.305 2.412 10 0 CEAERO C[C@@H]1CCN(C(=O)C2CCC(C[NH3+])CC2)[C@@H](C)C1 ZINC000055148191 524440934 /nfs/dbraw/zinc/44/09/34/524440934.db2.gz SCNJGPSJWBCQQO-KBHBFKLGSA-N 1 0 252.402 2.399 10 0 CEAERO C[C@H]1CN(C(=O)C2CC2)CC[N@@H+]1CCc1ccccc1 ZINC000062691019 524460181 /nfs/dbraw/zinc/46/01/81/524460181.db2.gz WIOZXKJSSSNIMH-AWEZNQCLSA-N 1 0 272.392 2.172 10 0 CEAERO Cc1cccc(C[C@@H]([NH3+])c2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000052127783 524467313 /nfs/dbraw/zinc/46/73/13/524467313.db2.gz OIMSNXHIBKJZFX-CYBMUJFWSA-N 1 0 267.332 2.407 10 0 CEAERO C[C@@H]1CCN(C(=O)[C@@H]2[C@H](C)CCC[C@@H]2[NH3+])[C@@H](C)C1 ZINC000055130858 524478271 /nfs/dbraw/zinc/47/82/71/524478271.db2.gz PVOPUPQVLBYKSL-PEBLQZBPSA-N 1 0 252.402 2.397 10 0 CEAERO C[C@@H](CC[NH3+])N(C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000063086218 524481834 /nfs/dbraw/zinc/48/18/34/524481834.db2.gz XOIKMYKCYUBBEK-IKMFHRHGSA-N 1 0 279.428 2.334 10 0 CEAERO Cc1cccc(N(C)C[C@@](CO)([NH2+]C2CC2)C2CC2)c1 ZINC000070338250 524520496 /nfs/dbraw/zinc/52/04/96/524520496.db2.gz AGINGJYBCORQTK-KRWDZBQOSA-N 1 0 274.408 2.324 10 0 CEAERO Cc1cccc(N(CCC[NH3+])C(=O)[C@H]2CCCCO2)c1 ZINC000050958275 524524794 /nfs/dbraw/zinc/52/47/94/524524794.db2.gz JKXUKLKCQHCEGN-OAHLLOKOSA-N 1 0 276.380 2.246 10 0 CEAERO COc1ccccc1N1CC[NH+]([C@@H](C)CC(C)=O)CC1 ZINC000068610293 524559882 /nfs/dbraw/zinc/55/98/82/524559882.db2.gz JBYYZYKOOYZZRJ-ZDUSSCGKSA-N 1 0 276.380 2.185 10 0 CEAERO C[C@@H](C[NH3+])c1noc(-c2ccc3ncccc3c2)n1 ZINC000061418926 524587475 /nfs/dbraw/zinc/58/74/75/524587475.db2.gz XJQCTLMSBIAMOV-VIFPVBQESA-N 1 0 254.293 2.347 10 0 CEAERO C[C@@H]1CC[C@@H](C[NH3+])CN1C(=O)c1ccc(F)c(F)c1 ZINC000070179526 524588460 /nfs/dbraw/zinc/58/84/60/524588460.db2.gz UMWJCWZKIAWRPY-ZJUUUORDSA-N 1 0 268.307 2.164 10 0 CEAERO C[C@@H](C[NH+]1CCCC1)N[C@@H]1CC(=O)N(C)c2ccccc21 ZINC000049151446 524595443 /nfs/dbraw/zinc/59/54/43/524595443.db2.gz PRMKRZVVNRNMOC-DZGCQCFKSA-N 1 0 287.407 2.168 10 0 CEAERO C[C@H]1CN(Cc2ccc(C[NH2+]C3CC3)cc2)CCO1 ZINC000052382666 524618576 /nfs/dbraw/zinc/61/85/76/524618576.db2.gz IVTLDNRIBRFCKF-ZDUSSCGKSA-N 1 0 260.381 2.159 10 0 CEAERO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000150808888 524637149 /nfs/dbraw/zinc/63/71/49/524637149.db2.gz JBHWUIBPUALUDD-XPABHHOTSA-N 1 0 282.428 2.037 10 0 CEAERO C[C@H]1CN(c2c(F)c(F)c(F)c(F)c2F)CC[NH2+]1 ZINC000052783318 524666810 /nfs/dbraw/zinc/66/68/10/524666810.db2.gz 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ZINC000049539057 526886689 /nfs/dbraw/zinc/88/66/89/526886689.db2.gz BEUYZHZWYQXNPJ-SCRDCRAPSA-N 1 0 265.426 2.462 10 0 CEAERO Cc1sc2ncn(CC[NH2+]C(C)(C)C)c(=O)c2c1C ZINC000048785061 526899218 /nfs/dbraw/zinc/89/92/18/526899218.db2.gz ZYMCQQNAAKCGJL-UHFFFAOYSA-N 1 0 279.409 2.463 10 0 CEAERO Cc1sc2ncnc(NCC[NH2+]C3CC3)c2c1C ZINC000054267813 526899948 /nfs/dbraw/zinc/89/99/48/526899948.db2.gz GULVYUAFSZQIJD-UHFFFAOYSA-N 1 0 262.382 2.472 10 0 CEAERO Cc1nc(Cc2ccncc2)nc(C)c1C[NH2+]C1CC1 ZINC000054854356 526928656 /nfs/dbraw/zinc/92/86/56/526928656.db2.gz SSKCKVRPJMIUQV-UHFFFAOYSA-N 1 0 268.364 2.331 10 0 CEAERO O=C(COCC[C@@H]1CCCC[NH2+]1)Nc1ccc(F)cc1 ZINC000051862088 526931668 /nfs/dbraw/zinc/93/16/68/526931668.db2.gz PEOBLBDJIBQKRB-ZDUSSCGKSA-N 1 0 280.343 2.313 10 0 CEAERO Clc1ccc(Cl)c(CCN2CC[NH2+]CC2)c1 ZINC000068991167 526954992 /nfs/dbraw/zinc/95/49/92/526954992.db2.gz PSLZUVPDAAJZIY-UHFFFAOYSA-N 1 0 259.180 2.441 10 0 CEAERO O=C1CCCCC[C@H]1[N@H+](CCO)Cc1ccccc1 ZINC000050514216 526970700 /nfs/dbraw/zinc/97/07/00/526970700.db2.gz GKSOENMWVKUJIP-OAHLLOKOSA-N 1 0 261.365 2.383 10 0 CEAERO Clc1ccccc1OCC[NH2+]C[C@@H]1CCOC1 ZINC000053566273 526991250 /nfs/dbraw/zinc/99/12/50/526991250.db2.gz LQOTYVKZGDTNKE-NSHDSACASA-N 1 0 255.745 2.345 10 0 CEAERO NC(=O)[C@H](CCSc1ccc(F)c(F)c1)[NH2+]C1CC1 ZINC000062596878 526992867 /nfs/dbraw/zinc/99/28/67/526992867.db2.gz BPCHJEONFUSQST-LBPRGKRZSA-N 1 0 286.347 2.053 10 0 CEAERO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1Cc2ccccc2O1 ZINC000054603345 527035117 /nfs/dbraw/zinc/03/51/17/527035117.db2.gz ZZDLUMDKKFKKSW-GUTXKFCHSA-N 1 0 257.333 2.186 10 0 CEAERO NC(=O)c1ccc(Cl)cc1N1C[C@@H]2C[C@@H]([NH3+])CC[C@@H]2C1 ZINC000062785749 527053555 /nfs/dbraw/zinc/05/35/55/527053555.db2.gz FMRUAXSQRPCVGJ-SCVCMEIPSA-N 1 0 293.798 2.003 10 0 CEAERO NC(=S)c1ccc(Cl)cc1N[C@@H]1C[NH+]2CCC1CC2 ZINC000062787958 527118607 /nfs/dbraw/zinc/11/86/07/527118607.db2.gz LTRRRXQYHXZDHV-CYBMUJFWSA-N 1 0 295.839 2.480 10 0 CEAERO [NH3+]C1CCC(C(=O)Nc2nc3c(s2)CCCC3)CC1 ZINC000049559554 527139336 /nfs/dbraw/zinc/13/93/36/527139336.db2.gz RECVEKOMPJANFF-UHFFFAOYSA-N 1 0 279.409 2.478 10 0 CEAERO Cc1[nH+]c2ccc(N3CCOCC3)cc2c(N)c1C ZINC000062997368 527139774 /nfs/dbraw/zinc/13/97/74/527139774.db2.gz RMDCDIGGVDAXBJ-UHFFFAOYSA-N 1 0 257.337 2.270 10 0 CEAERO [NH3+]CCCN(C(=O)[C@@H]1CCCCO1)c1cccc(F)c1 ZINC000050958284 527177463 /nfs/dbraw/zinc/17/74/63/527177463.db2.gz YWDIDPAFQSINRP-AWEZNQCLSA-N 1 0 280.343 2.077 10 0 CEAERO O=C(Nc1ccc(F)c(F)c1F)[C@@H]1CC12CC[NH2+]CC2 ZINC000070251895 527197500 /nfs/dbraw/zinc/19/75/00/527197500.db2.gz VGCJNECUJFBWQR-QMMMGPOBSA-N 1 0 284.281 2.432 10 0 CEAERO [NH3+]CCc1cccc(C(=O)N[C@H]2C[C@H]2c2ccccc2)c1 ZINC000053662875 527197992 /nfs/dbraw/zinc/19/79/92/527197992.db2.gz MIZRTBBTTKXTRJ-IRXDYDNUSA-N 1 0 280.371 2.474 10 0 CEAERO [NH3+]CCc1cnn(Cc2cc(F)ccc2Br)c1 ZINC000054740840 527198083 /nfs/dbraw/zinc/19/80/83/527198083.db2.gz NDOZMXQFHQQJPU-UHFFFAOYSA-N 1 0 298.159 2.334 10 0 CEAERO [NH3+]C[C@@H](Cc1ccccc1)NC(=O)CC[C@@H]1CCCCO1 ZINC000069405610 527203836 /nfs/dbraw/zinc/20/38/36/527203836.db2.gz LUMQBNBWHFJBBD-CVEARBPZSA-N 1 0 290.407 2.022 10 0 CEAERO [NH3+]C[C@@H](c1ccccc1Br)N1CCCOCC1 ZINC000061914287 527207286 /nfs/dbraw/zinc/20/72/86/527207286.db2.gz CLTOVWTWCNIEKL-ZDUSSCGKSA-N 1 0 299.212 2.171 10 0 CEAERO [NH3+]C[C@@H](c1nc2ccccc2n1CCO)c1ccccc1 ZINC000061608882 527207981 /nfs/dbraw/zinc/20/79/81/527207981.db2.gz TVFUFUZFBIGQRM-CQSZACIVSA-N 1 0 281.359 2.119 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H](C(=O)NCC2CCCCC2)C1 ZINC000055147104 527213683 /nfs/dbraw/zinc/21/36/83/527213683.db2.gz RXSSOYWUASSLDI-ZIAGYGMSSA-N 1 0 252.402 2.448 10 0 CEAERO [NH3+]C[C@H]1CC[C@@H](COc2ccc3c(c2)CCCC3)O1 ZINC000052706826 527239473 /nfs/dbraw/zinc/23/94/73/527239473.db2.gz TXUPENJRSPCYML-CVEARBPZSA-N 1 0 261.365 2.451 10 0 CEAERO [NH3+]C[C@H]1C[C@@H]1c1cc2c(c(Br)c1)OCO2 ZINC000054586972 527241831 /nfs/dbraw/zinc/24/18/31/527241831.db2.gz JDFXGJZAPDDHHT-HTQZYQBOSA-N 1 0 270.126 2.240 10 0 CEAERO [NH3+]C[C@]1(Cc2cccc(Br)c2)CCOC1 ZINC000054637639 527242932 /nfs/dbraw/zinc/24/29/32/527242932.db2.gz NIMJQGFUJMAMAL-GFCCVEGCSA-N 1 0 270.170 2.357 10 0 CEAERO O=S(=O)(Nc1cccc2c1CCCC2)C1CC[NH2+]CC1 ZINC000049640759 527253705 /nfs/dbraw/zinc/25/37/05/527253705.db2.gz BVGMZJLDKIEZSZ-UHFFFAOYSA-N 1 0 294.420 2.059 10 0 CEAERO [NH3+]Cc1cn(CCOc2ccc(Cl)c(Cl)c2)nn1 ZINC000052702557 527261610 /nfs/dbraw/zinc/26/16/10/527261610.db2.gz DZZZJBKYLCYQTG-UHFFFAOYSA-N 1 0 287.150 2.123 10 0 CEAERO [NH3+]Cc1nc(CN(CC(F)(F)F)C2CC2)cs1 ZINC000052503559 527265135 /nfs/dbraw/zinc/26/51/35/527265135.db2.gz BYRBCMGWUSXTDE-UHFFFAOYSA-N 1 0 265.304 2.129 10 0 CEAERO [NH3+]Cc1nccn1Cc1ccc(Br)s1 ZINC000051004176 527267025 /nfs/dbraw/zinc/26/70/25/527267025.db2.gz XUFDHMMIVVTAHB-UHFFFAOYSA-N 1 0 272.171 2.214 10 0 CEAERO NNc1[nH+]cccc1Cn1cc(-c2ccccc2)cn1 ZINC000054961976 527288147 /nfs/dbraw/zinc/28/81/47/527288147.db2.gz ONAMCXQJJDWURU-UHFFFAOYSA-N 1 0 265.320 2.279 10 0 CEAERO Cn1cc([C@H](C[NH3+])N(Cc2ccsc2)C2CC2)cn1 ZINC000048953226 527312935 /nfs/dbraw/zinc/31/29/35/527312935.db2.gz YFCFKALIILYULA-AWEZNQCLSA-N 1 0 276.409 2.146 10 0 CEAERO [NH3+][C@@H](c1cncnc1)C1(c2ccccc2)CCOCC1 ZINC000062783604 527339544 /nfs/dbraw/zinc/33/95/44/527339544.db2.gz OKABKHVYYSIOON-HNNXBMFYSA-N 1 0 269.348 2.225 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@@H]1NC(=O)c1cccc(F)c1F ZINC000063210373 527341731 /nfs/dbraw/zinc/34/17/31/527341731.db2.gz OQTVNBNWNPHXKK-NEPJUHHUSA-N 1 0 268.307 2.355 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1NC(=O)c1ccc(F)cc1Cl ZINC000063174132 527353171 /nfs/dbraw/zinc/35/31/71/527353171.db2.gz SEDMZKNXCDULMA-MNOVXSKESA-N 1 0 256.708 2.089 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000063173960 527359467 /nfs/dbraw/zinc/35/94/67/527359467.db2.gz LLARCWDPJZKIDN-GQWBEDRXSA-N 1 0 262.397 2.199 10 0 CEAERO [NH3+][C@@H]1COc2cc(OCc3cn4ccccc4n3)ccc21 ZINC000062803740 527376258 /nfs/dbraw/zinc/37/62/58/527376258.db2.gz HAVDCMIXPOTQKY-CQSZACIVSA-N 1 0 281.315 2.306 10 0 CEAERO [NH3+][C@H](Cn1ncccc1=O)c1cccc2ccccc21 ZINC000061402825 527391446 /nfs/dbraw/zinc/39/14/46/527391446.db2.gz ALHCYJANDIUUDX-OAHLLOKOSA-N 1 0 265.316 2.097 10 0 CEAERO O=c1[nH]c(OCC[C@H]2CCCC[NH2+]2)cc2ccccc21 ZINC000051870834 527441906 /nfs/dbraw/zinc/44/19/06/527441906.db2.gz VUFSYWLXPOJPCG-CYBMUJFWSA-N 1 0 272.348 2.439 10 0 CEAERO O=c1cnn(CC[NH2+]CCc2ccsc2)c2ccccc12 ZINC000053532947 527493955 /nfs/dbraw/zinc/49/39/55/527493955.db2.gz KPVRTAKEZDDUTO-UHFFFAOYSA-N 1 0 299.399 2.290 10 0 CEAERO Nc1cccnc1O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061702151 527530670 /nfs/dbraw/zinc/53/06/70/527530670.db2.gz XJGJPXLWBJDPET-CQSZACIVSA-N 1 0 269.348 2.317 10 0 CEAERO OCC[N@H+](Cc1ccnc(Cl)c1)C1CCCC1 ZINC000052709840 527551538 /nfs/dbraw/zinc/55/15/38/527551538.db2.gz MRDCZGDHVMYRDH-UHFFFAOYSA-N 1 0 254.761 2.472 10 0 CEAERO Nc1nc2ccccc2cc1C[N@@H+]1CCC[C@H](CO)C1 ZINC000050791769 527561458 /nfs/dbraw/zinc/56/14/58/527561458.db2.gz BBJPVUVDVXSYEA-LBPRGKRZSA-N 1 0 271.364 2.021 10 0 CEAERO Cc1nn(-c2ncc(C[NH3+])cc2Cl)c(C)c1C ZINC000051493396 527573062 /nfs/dbraw/zinc/57/30/62/527573062.db2.gz HNVBIPQRSPFHJN-UHFFFAOYSA-N 1 0 250.733 2.305 10 0 CEAERO OCCn1c2ccccc2nc1CC[C@@H]1CCCC[NH2+]1 ZINC000050927008 527576231 /nfs/dbraw/zinc/57/62/31/527576231.db2.gz BNUDTQWXWLGPTE-ZDUSSCGKSA-N 1 0 273.380 2.103 10 0 CEAERO OCc1cc(N2CC[NH+](C3CC3)CC2)nc2ccccc12 ZINC000048995675 527629871 /nfs/dbraw/zinc/62/98/71/527629871.db2.gz ICLNEKMFTUXSJO-UHFFFAOYSA-N 1 0 283.375 2.012 10 0 CEAERO Cc1nn(C)c(N2C[C@@H](C)OC[C@@H]2C)c1C[NH2+]C(C)(C)C ZINC000062735846 527677052 /nfs/dbraw/zinc/67/70/52/527677052.db2.gz VNJWSTXGEZLFFI-NWDGAFQWSA-N 1 0 294.443 2.230 10 0 CEAERO O[C@@]1(c2cncc3ccccc32)CC[N@@H+](C2CC2)C1 ZINC000069266212 527681984 /nfs/dbraw/zinc/68/19/84/527681984.db2.gz FFQLSOQVSPSUEO-INIZCTEOSA-N 1 0 254.333 2.291 10 0 CEAERO CCCCC(=O)N1CC[N@H+](CCOCC)[C@H](CC)C1 ZINC000116767937 528083082 /nfs/dbraw/zinc/08/30/82/528083082.db2.gz HDPLAZXTFJFFDO-CQSZACIVSA-N 1 0 270.417 2.136 10 0 CEAERO CCN(CC)c1ccc(N[C@@H](C)[C@@H]2CC[NH2+]C2)cn1 ZINC000400332063 528313791 /nfs/dbraw/zinc/31/37/91/528313791.db2.gz FCNBOKSSNCDYFJ-QWHCGFSZSA-N 1 0 262.401 2.338 10 0 CEAERO CCOCC[N@@H+]1CCN(C(=O)C[C@H]2C=CCC2)C[C@H]1CC ZINC000116768820 528737618 /nfs/dbraw/zinc/73/76/18/528737618.db2.gz NJTKPCNWXWVLTB-JKSUJKDBSA-N 1 0 294.439 2.302 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CCc2cccs2)C1 ZINC000174236281 529055112 /nfs/dbraw/zinc/05/51/12/529055112.db2.gz ICRWVUAQDIQIBU-CYBMUJFWSA-N 1 0 295.452 2.416 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCc1ccsc1 ZINC000177358049 529095254 /nfs/dbraw/zinc/09/52/54/529095254.db2.gz UVSPCOUWXQMXAI-AWEZNQCLSA-N 1 0 295.452 2.416 10 0 CEAERO CC[NH2+]Cc1ccc(N2CCC[C@@H]3CCC[C@@H]32)nn1 ZINC000087783480 535478215 /nfs/dbraw/zinc/47/82/15/535478215.db2.gz LQMLFDQSKYSZKK-JSGCOSHPSA-N 1 0 260.385 2.355 10 0 CEAERO CC[NH2+][C@H]1CCN(CCOCCOC)c2ccccc21 ZINC000071378167 535515903 /nfs/dbraw/zinc/51/59/03/535515903.db2.gz FNFFBIWUJBVMCW-HNNXBMFYSA-N 1 0 278.396 2.210 10 0 CEAERO CCNC(=O)CC[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000189894628 535789516 /nfs/dbraw/zinc/78/95/16/535789516.db2.gz CQHLCBQMXFDQLV-ZDUSSCGKSA-N 1 0 286.379 2.049 10 0 CEAERO CCc1c(C)nc(-c2ccncc2)nc1N1CCC([NH3+])CC1 ZINC000070451846 536070190 /nfs/dbraw/zinc/07/01/90/536070190.db2.gz LUXSQGJHEUOQGF-UHFFFAOYSA-N 1 0 297.406 2.337 10 0 CEAERO C[NH2+][C@H](C)C1CCN(c2ncnc3c2CCCC3)CC1 ZINC000094871373 536388467 /nfs/dbraw/zinc/38/84/67/536388467.db2.gz DDCJGCOEDROOFH-GFCCVEGCSA-N 1 0 274.412 2.180 10 0 CEAERO C[NH2+][C@H]1CCN(Cc2cc(C)nn2C)c2ccccc21 ZINC000089180702 536418037 /nfs/dbraw/zinc/41/80/37/536418037.db2.gz WHNWUWAHWRIBIM-HNNXBMFYSA-N 1 0 270.380 2.399 10 0 CEAERO COC(C[C@@](C)(C[NH3+])N1C[C@@H](C)Cc2ccccc21)OC ZINC000090266059 536510314 /nfs/dbraw/zinc/51/03/14/536510314.db2.gz YYMXYJCGRFINIF-GUYCJALGSA-N 1 0 292.423 2.412 10 0 CEAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1sccc1Cl ZINC000309781305 538741471 /nfs/dbraw/zinc/74/14/71/538741471.db2.gz MYVQPZZHMFEAJX-VXNVDRBHSA-N 1 0 258.774 2.158 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]Cc2ccc(C)c(Cl)c2)C1 ZINC000233486911 538875039 /nfs/dbraw/zinc/87/50/39/538875039.db2.gz CWVGDIDVGLMKEU-AWEZNQCLSA-N 1 0 282.815 2.459 10 0 CEAERO O=C1Nc2ccc(Br)cc2[C@]2(CC[NH2+]C2)O1 ZINC000259585843 570268171 /nfs/dbraw/zinc/26/81/71/570268171.db2.gz ZELLPXMSHPXUNG-LLVKDONJSA-N 1 0 283.125 2.200 10 0 CEAERO COc1ccc(F)cc1[C@H](C)NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000251744634 574508381 /nfs/dbraw/zinc/50/83/81/574508381.db2.gz PUMXQRRUYRBAMI-GVXVVHGQSA-N 1 0 294.370 2.387 10 0 CEAERO CC1(C)C[NH2+][C@]2(CCSC2)O[C@]12CCCOC2 ZINC000757143501 574510310 /nfs/dbraw/zinc/51/03/10/574510310.db2.gz LVJRMCRMNZSOST-QWHCGFSZSA-N 1 0 257.399 2.015 10 0 CEAERO CC1(C)C[NH2+][C@]2(CCSC2)OC12CCOCC2 ZINC000757147142 574510436 /nfs/dbraw/zinc/51/04/36/574510436.db2.gz RWVVAWAFSDBFGR-CYBMUJFWSA-N 1 0 257.399 2.015 10 0 CEAERO COc1ccc([C@H]2C[NH2+]C[C@@H]2C(=O)OC(C)(C)C)cc1 ZINC000757184613 574511596 /nfs/dbraw/zinc/51/15/96/574511596.db2.gz LWLFIGSEDLYVEK-KGLIPLIRSA-N 1 0 277.364 2.340 10 0 CEAERO COc1ccc([C@H]2C[NH2+]C[C@H]2C(=O)OC(C)(C)C)cc1 ZINC000757184620 574511603 /nfs/dbraw/zinc/51/16/03/574511603.db2.gz LWLFIGSEDLYVEK-ZIAGYGMSSA-N 1 0 277.364 2.340 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CSC(C)(C)C ZINC000176964979 625328155 /nfs/dbraw/zinc/32/81/55/625328155.db2.gz ZQZJKQULKBPIPP-LBPRGKRZSA-N 1 0 272.458 2.461 10 0 CEAERO Nc1ncnc2ccc(-c3ccc(F)cc3C[NH3+])cc12 ZINC000096150741 625518088 /nfs/dbraw/zinc/51/80/88/625518088.db2.gz PEUHSXKCVVBUEV-UHFFFAOYSA-N 1 0 268.295 2.477 10 0 CEAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]CC12CC(CF)(CF)C2 ZINC000757184502 622957545 /nfs/dbraw/zinc/95/75/45/622957545.db2.gz KUCDROZZDAGNBG-JTQLQIEISA-N 1 0 275.339 2.253 10 0 CEAERO COCCN(C)CC[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000061374818 623292328 /nfs/dbraw/zinc/29/23/28/623292328.db2.gz QYJQGKHVUVNLRN-UONOGXRCSA-N 1 0 256.434 2.369 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21 ZINC000089386565 623465247 /nfs/dbraw/zinc/46/52/47/623465247.db2.gz PVMXCYALTJNONF-KGLIPLIRSA-N 1 0 258.365 2.341 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C[C@H](O)c1ccc(C)cc1 ZINC000091436505 623564739 /nfs/dbraw/zinc/56/47/39/623564739.db2.gz VASHOJHASLATHW-SJORKVTESA-N 1 0 276.424 2.445 10 0 CEAERO [NH3+]C[C@@H](O)c1ccc(Br)cc1Cl ZINC000084586231 623901885 /nfs/dbraw/zinc/90/18/85/623901885.db2.gz LUOILOMMQKDPPF-MRVPVSSYSA-N 1 0 250.523 2.095 10 0 CEAERO COc1sc(C[NH2+][C@H](C)[C@H](C)O)cc1Br ZINC000309067386 624490286 /nfs/dbraw/zinc/49/02/86/624490286.db2.gz AUKISFHSHXPBGA-RQJHMYQMSA-N 1 0 294.214 2.378 10 0 CEAERO COc1sc(C[NH2+][C@@H](C)[C@@H](C)O)cc1Br ZINC000309067384 624490433 /nfs/dbraw/zinc/49/04/33/624490433.db2.gz AUKISFHSHXPBGA-NKWVEPMBSA-N 1 0 294.214 2.378 10 0 CEAERO OCCCC[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000236498543 625950140 /nfs/dbraw/zinc/95/01/40/625950140.db2.gz OYUIXRSXDVIFDA-LBPRGKRZSA-N 1 0 277.286 2.101 10 0 CEAERO O=C(C[NH2+]CCc1ccccc1)NCc1ccccc1 ZINC000020302861 627944164 /nfs/dbraw/zinc/94/41/64/627944164.db2.gz JBUHVFVTWIFTOX-UHFFFAOYSA-N 1 0 268.360 2.135 10 0 CEAERO Cc1sc2ncnc(NC[C@H]3CCC[NH2+]3)c2c1C ZINC000053255057 628274143 /nfs/dbraw/zinc/27/41/43/628274143.db2.gz HIVVHSLTSWTEGP-SNVBAGLBSA-N 1 0 262.382 2.472 10 0 CEAERO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(Cl)ccc3O)C[C@H]2C1 ZINC000312960515 628570151 /nfs/dbraw/zinc/57/01/51/628570151.db2.gz JJGCFATZNDTBTB-WDEREUQCSA-N 1 0 294.782 2.069 10 0 CEAERO C[NH2+]CCc1noc(Cc2ccccc2Br)n1 ZINC000258041789 628668019 /nfs/dbraw/zinc/66/80/19/628668019.db2.gz ONJDXPRJHSKXBG-UHFFFAOYSA-N 1 0 296.168 2.185 10 0 CEAERO CCCCc1cc(NC(=O)[C@H]([NH3+])[C@@H](C)CC)n[nH]1 ZINC000236887810 628728910 /nfs/dbraw/zinc/72/89/10/628728910.db2.gz XKKABOYJLSOUTN-JOYOIKCWSA-N 1 0 252.362 2.064 10 0 CEAERO Cc1ccc([C@@H](C)[NH2+]C2CCN(CCO)CC2)cc1 ZINC000399121462 628776635 /nfs/dbraw/zinc/77/66/35/628776635.db2.gz PEDQHHIWSCNEJP-CQSZACIVSA-N 1 0 262.397 2.102 10 0 CEAERO COc1ccc(Cl)cc1CNC[C@H]1CC[NH2+]C1 ZINC000258980791 628788147 /nfs/dbraw/zinc/78/81/47/628788147.db2.gz UXQHPLNHNLEYJG-JTQLQIEISA-N 1 0 254.761 2.048 10 0 CEAERO c1ccc(CC[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)cc1 ZINC000094365972 628832666 /nfs/dbraw/zinc/83/26/66/628832666.db2.gz YYPSJDIETCMPER-HZPDHXFCSA-N 1 0 261.365 2.157 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1cc(Cl)ccc1F ZINC000261541477 628936324 /nfs/dbraw/zinc/93/63/24/628936324.db2.gz BBQFNIFPWLXUGF-RDDDGLTNSA-N 1 0 256.708 2.041 10 0 CEAERO COc1ccc(Br)c(CN2CC[C@H]([NH3+])[C@H]2C)c1 ZINC000261564240 628938891 /nfs/dbraw/zinc/93/88/91/628938891.db2.gz XPJOKBWAVOXONA-RNCFNFMXSA-N 1 0 299.212 2.379 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)C2CC[NH2+]CC2)cc1F ZINC000094956433 628945315 /nfs/dbraw/zinc/94/53/15/628945315.db2.gz WLABSYPCAMELKF-LLVKDONJSA-N 1 0 264.344 2.311 10 0 CEAERO Cc1cnc([C@H](C)NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)o1 ZINC000261642606 628957850 /nfs/dbraw/zinc/95/78/50/628957850.db2.gz LUVXJJZFQWSGKT-RNJOBUHISA-N 1 0 277.368 2.081 10 0 CEAERO Cc1ccnc(N)c1C[NH+]1CCC(c2cnn(C)c2)CC1 ZINC000893992930 629074718 /nfs/dbraw/zinc/07/47/18/629074718.db2.gz WYVZTHCFCTYHSU-UHFFFAOYSA-N 1 0 285.395 2.085 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(-n2ccnc2)c(F)c1 ZINC000237017002 629152554 /nfs/dbraw/zinc/15/25/54/629152554.db2.gz UKGIYRFOBCCUGM-QMTHXVAHSA-N 1 0 290.342 2.323 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)[C@H](C)Oc1ccc(Cl)cc1C ZINC000261735310 629170464 /nfs/dbraw/zinc/17/04/64/629170464.db2.gz LYSAGGFSRSGSFE-QWRGUYRKSA-N 1 0 284.787 2.140 10 0 CEAERO COc1ccccc1-c1noc(CC[C@H]2CCC[NH2+]2)n1 ZINC000261827566 629259495 /nfs/dbraw/zinc/25/94/95/629259495.db2.gz ULPNGIXUZXPYSP-LLVKDONJSA-N 1 0 273.336 2.430 10 0 CEAERO Fc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000261905712 629310221 /nfs/dbraw/zinc/31/02/21/629310221.db2.gz IEJJHBAHDUNSQD-BMFZPTHFSA-N 1 0 278.371 2.072 10 0 CEAERO [NH3+][C@@H]1CC[C@H]2CN(Cc3ncc(C(F)(F)F)s3)C[C@H]12 ZINC000261947718 629371156 /nfs/dbraw/zinc/37/11/56/629371156.db2.gz NMVLKQVGSWBFOJ-XHNCKOQMSA-N 1 0 291.342 2.331 10 0 CEAERO CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCC2C[NH2+]C2)cc1 ZINC000262014846 629439651 /nfs/dbraw/zinc/43/96/51/629439651.db2.gz KUSNDHUWDORROI-JKSUJKDBSA-N 1 0 272.392 2.249 10 0 CEAERO COC[C@@H]([NH3+])C(=O)N[C@@H](C)c1cc(Cl)ccc1Cl ZINC000262278707 630597962 /nfs/dbraw/zinc/59/79/62/630597962.db2.gz LJQNFMKFCQYSAE-WRWORJQWSA-N 1 0 291.178 2.144 10 0 CEAERO Cc1cc(C[N@@H+]2CC[C@@H](CCO)C2)cc(Cl)n1 ZINC000320777608 631181367 /nfs/dbraw/zinc/18/13/67/631181367.db2.gz UXMQOJVTIDJRNT-NSHDSACASA-N 1 0 254.761 2.248 10 0 CEAERO C[C@H]([NH2+]CC(=O)N1CCO[C@@H](C)C1)c1cccc(Cl)c1 ZINC000192478986 631717794 /nfs/dbraw/zinc/71/77/94/631717794.db2.gz NMSKLGMFWKSIRL-RYUDHWBXSA-N 1 0 296.798 2.238 10 0 CEAERO C[C@@H]([NH2+]CC(=O)N1CCO[C@H](C)C1)c1cccc(Cl)c1 ZINC000192478994 631718265 /nfs/dbraw/zinc/71/82/65/631718265.db2.gz NMSKLGMFWKSIRL-VXGBXAGGSA-N 1 0 296.798 2.238 10 0 CEAERO C[C@H](CCOc1ccccc1)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000237478562 631731496 /nfs/dbraw/zinc/73/14/96/631731496.db2.gz VSNFKSFGROIJAX-IIAWOOMASA-N 1 0 290.407 2.335 10 0 CEAERO CC(C)(C)OC(=O)N(CCCCO)c1ccc(C[NH3+])nc1 ZINC000757134216 631821912 /nfs/dbraw/zinc/82/19/12/631821912.db2.gz LUNUXZYVBSDRNK-UHFFFAOYSA-N 1 0 295.383 2.054 10 0 CEAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@H]1c1cccc(O)c1 ZINC000757183046 631830265 /nfs/dbraw/zinc/83/02/65/631830265.db2.gz DHPGQQCUFSYXAL-STQMWFEESA-N 1 0 263.337 2.037 10 0 CEAERO [NH3+][C@H]1CCCN(C(=O)[C@H]2CCCc3ccccc32)C1 ZINC000041028161 632368079 /nfs/dbraw/zinc/36/80/79/632368079.db2.gz CMZQRSOKNMMRAE-ZFWWWQNUSA-N 1 0 258.365 2.056 10 0 CEAERO Brc1ccc2ccnc(N3CC[NH2+]CC3)c2c1 ZINC000044831370 639361241 /nfs/dbraw/zinc/36/12/41/639361241.db2.gz YGOLSEREOABIEJ-UHFFFAOYSA-N 1 0 292.180 2.407 10 0 CEAERO Cc1ncc(-c2nc(C[C@H]3CCC[NH2+]C3)no2)s1 ZINC000225428824 639497516 /nfs/dbraw/zinc/49/75/16/639497516.db2.gz IMKUILXNTXCQIW-SECBINFHSA-N 1 0 264.354 2.044 10 0 CEAERO CO[C@@H](c1noc(CC[C@@H]2CCC[NH2+]C2)n1)C1CC1 ZINC000227329411 639583749 /nfs/dbraw/zinc/58/37/49/639583749.db2.gz ICBLEAWWPZGLMB-GXFFZTMASA-N 1 0 265.357 2.099 10 0 CEAERO O[C@@H]1CCC[C@H]([NH2+]Cc2occc2Br)C1 ZINC000227368466 639586911 /nfs/dbraw/zinc/58/69/11/639586911.db2.gz DCHCCALKEKMUFA-DTWKUNHWSA-N 1 0 274.158 2.435 10 0 CEAERO C[C@@H]1CCC[C@H]1OC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000227511160 639593821 /nfs/dbraw/zinc/59/38/21/639593821.db2.gz HUQYCVYAODPYGC-QLFBSQMISA-N 1 0 255.402 2.284 10 0 CEAERO CCOc1ccc(C[N@H+]2C[C@H](C(=O)OC)[C@H](C)C2)cc1 ZINC000228755739 639657258 /nfs/dbraw/zinc/65/72/58/639657258.db2.gz NUBKUWZYPLRXPH-DOMZBBRYSA-N 1 0 277.364 2.326 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)Nc1ccccc1F ZINC000061884357 639727547 /nfs/dbraw/zinc/72/75/47/639727547.db2.gz KGRVXPVRSCKIIG-GXSJLCMTSA-N 1 0 251.305 2.075 10 0 CEAERO COCC[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000230061927 639730002 /nfs/dbraw/zinc/73/00/02/639730002.db2.gz OIAPZEHJRYIILI-CHWSQXEVSA-N 1 0 286.416 2.258 10 0 CEAERO Fc1ccc(Br)c(F)c1COC1C[NH2+]C1 ZINC000230316913 639754235 /nfs/dbraw/zinc/75/42/35/639754235.db2.gz OCUPBAOHLLVADD-UHFFFAOYSA-N 1 0 278.096 2.216 10 0 CEAERO C[NH+](C)[C@@H]1CCN(Cn2nc(C3CC3)sc2=S)C1 ZINC000173891809 639882428 /nfs/dbraw/zinc/88/24/28/639882428.db2.gz FGOBSHQJPSHREL-SNVBAGLBSA-N 1 0 284.454 2.145 10 0 CEAERO C[C@H](NC(=O)C1([NH3+])CCC1)c1ccc(Cl)s1 ZINC000088050466 639924170 /nfs/dbraw/zinc/92/41/70/639924170.db2.gz WIRDPNDPZJEKPK-ZETCQYMHSA-N 1 0 258.774 2.460 10 0 CEAERO [NH3+][C@H](CCO)c1ccc(Cl)cc1Br ZINC000089063813 640036706 /nfs/dbraw/zinc/03/67/06/640036706.db2.gz VGVWYISKDVRHMU-SECBINFHSA-N 1 0 264.550 2.485 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1C(=O)N1CCc2sccc2C1 ZINC000089385554 640359403 /nfs/dbraw/zinc/35/94/03/640359403.db2.gz RFIIAUYYSXFQBB-AAEUAGOBSA-N 1 0 278.421 2.398 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1C(=O)NCCc1cccs1 ZINC000089386542 640361039 /nfs/dbraw/zinc/36/10/39/640361039.db2.gz ITWFOORXWPJABV-WCQYABFASA-N 1 0 266.410 2.172 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cn1nccc1-c1ccncc1 ZINC000153201980 640427208 /nfs/dbraw/zinc/42/72/08/640427208.db2.gz ALCRYROKGQIVRG-GDBMZVCRSA-N 1 0 297.406 2.071 10 0 CEAERO CC(C)c1nc([C@H]2CCCN2C(=O)CCCCC[NH3+])no1 ZINC000154875544 641006238 /nfs/dbraw/zinc/00/62/38/641006238.db2.gz APMWXWPVRMTCGS-GFCCVEGCSA-N 1 0 294.399 2.376 10 0 CEAERO CC[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)c1ccc(OC)cc1 ZINC000233886964 641346459 /nfs/dbraw/zinc/34/64/59/641346459.db2.gz MRFKPHOEAROXIF-KCPJHIHWSA-N 1 0 276.380 2.118 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)CN1CC(CC)(CC)OC1=O ZINC000180252630 641436776 /nfs/dbraw/zinc/43/67/76/641436776.db2.gz OHYLEPWCQQXBAP-AWEZNQCLSA-N 1 0 297.443 2.371 10 0 CEAERO C[C@H]([NH2+]CCCNC(=O)C(F)(F)F)c1cccs1 ZINC000182562089 641674433 /nfs/dbraw/zinc/67/44/33/641674433.db2.gz RPGRLYTXXWRWGV-QMMMGPOBSA-N 1 0 280.315 2.467 10 0 CEAERO COc1cc(C)ccc1NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000070575816 641684849 /nfs/dbraw/zinc/68/48/49/641684849.db2.gz UNLQFAVQSGZDHX-NWDGAFQWSA-N 1 0 262.353 2.460 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]C[C@H]2CCOC2)C1 ZINC000083799233 642273717 /nfs/dbraw/zinc/27/37/17/642273717.db2.gz CCUUGJUXHGRIRH-UONOGXRCSA-N 1 0 298.427 2.260 10 0 CEAERO CC(C)[NH2+]C1CCN(C[C@@](C)(O)c2ccccc2)CC1 ZINC000108369244 642283471 /nfs/dbraw/zinc/28/34/71/642283471.db2.gz MWICXKJJCANFBL-QGZVFWFLSA-N 1 0 276.424 2.357 10 0 CEAERO C[NH2+]C[C@@H]1CCCN(c2ncnc3sc(C)cc32)C1 ZINC000110779228 643511752 /nfs/dbraw/zinc/51/17/52/643511752.db2.gz ARJMRTIPHLIGII-NSHDSACASA-N 1 0 276.409 2.436 10 0 CEAERO CCOc1cncc(N[C@@H](C[NH3+])C2CCCCC2)n1 ZINC000130842902 652348207 /nfs/dbraw/zinc/34/82/07/652348207.db2.gz YWNLTBHLPPKGNG-LBPRGKRZSA-N 1 0 264.373 2.195 10 0 CEAERO C[C@H](C[C@@H]1COCCN1)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000133708230 652706982 /nfs/dbraw/zinc/70/69/82/652706982.db2.gz HBBHGNZVWXIGLU-IKWCTNDRSA-N 1 0 294.361 2.464 10 0 CEAERO C[C@H]([NH3+])CN(C)c1ccnc2cc(Br)cnc21 ZINC000135570507 652973277 /nfs/dbraw/zinc/97/32/77/652973277.db2.gz KWLSNPFORNLTNZ-QMMMGPOBSA-N 1 0 295.184 2.176 10 0 CEAERO C[C@@H]1CCCN(S(=O)(=O)/C=C\c2ccccc2)[C@@H]1C[NH3+] ZINC000216597804 652990577 /nfs/dbraw/zinc/99/05/77/652990577.db2.gz RAUPZKJSBDYCDL-FJJZPOORSA-N 1 0 294.420 2.046 10 0 CEAERO COc1ccc([C@H]([NH3+])CS(=O)(=O)CC2CCCC2)cc1 ZINC000081990909 177915165 /nfs/dbraw/zinc/91/51/65/177915165.db2.gz SPBHQJPBRZUMIA-OAHLLOKOSA-N 1 0 297.420 2.300 10 0 CEAERO CC[NH2+][C@@H](C)CCCS(=O)(=O)CC1CCCC1 ZINC000081991504 177915602 /nfs/dbraw/zinc/91/56/02/177915602.db2.gz ZISGPSFAOURLKF-LBPRGKRZSA-N 1 0 261.431 2.370 10 0 CEAERO COCCC[S@](=O)C[C@H]([NH3+])c1ccc(C)c(C)c1 ZINC000081998116 177915926 /nfs/dbraw/zinc/91/59/26/177915926.db2.gz UCHLMPXPTUUAKN-KBXCAEBGSA-N 1 0 269.410 2.088 10 0 CEAERO COc1ccccc1[S@@](=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000082000079 177917640 /nfs/dbraw/zinc/91/76/40/177917640.db2.gz RBKRKQRLOJHFGS-QAGHZCBJSA-N 1 0 253.367 2.073 10 0 CEAERO COC1(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)CCC1 ZINC000336198283 365524106 /nfs/dbraw/zinc/52/41/06/365524106.db2.gz DNONXXAIMPNROC-UHFFFAOYSA-N 1 0 252.402 2.116 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCS[C@H](C)C1 ZINC000124419894 187136681 /nfs/dbraw/zinc/13/66/81/187136681.db2.gz RNPPDNMFHYIRQO-ZIAGYGMSSA-N 1 0 299.484 2.254 10 0 CEAERO CC[NH2+]Cc1sc(-c2ccncc2)nc1COC ZINC000082445456 178022549 /nfs/dbraw/zinc/02/25/49/178022549.db2.gz AIJMHLAXUBEYDL-UHFFFAOYSA-N 1 0 263.366 2.461 10 0 CEAERO [NH3+]C[C@H](O[C@H]1CCOC1)c1ccc(Br)s1 ZINC000082458965 178033889 /nfs/dbraw/zinc/03/38/89/178033889.db2.gz SURHFVZMXMLIRR-YUMQZZPRSA-N 1 0 292.198 2.316 10 0 CEAERO CN(CC[NH3+])[C@@H]1CCc2cc(Br)ccc2C1 ZINC000082491617 178058780 /nfs/dbraw/zinc/05/87/80/178058780.db2.gz SPHFORSUFNUGHY-CYBMUJFWSA-N 1 0 283.213 2.197 10 0 CEAERO CN(c1ccc(Br)cn1)[C@H]1CCC[NH2+]C1 ZINC000082499967 178064971 /nfs/dbraw/zinc/06/49/71/178064971.db2.gz FHSFJKWQJNSLMD-JTQLQIEISA-N 1 0 270.174 2.032 10 0 CEAERO C[NH+](C)CCNc1cc(C(F)(F)F)nc(Cl)n1 ZINC000082501743 178065902 /nfs/dbraw/zinc/06/59/02/178065902.db2.gz SKJCWHVYSBXUEM-UHFFFAOYSA-N 1 0 268.670 2.122 10 0 CEAERO O[C@H](C[NH+]1CCCCC1)N1C=C(c2ccccc2)OC1 ZINC000095934617 185033465 /nfs/dbraw/zinc/03/34/65/185033465.db2.gz IXSSPBTZDQURHB-MRXNPFEDSA-N 1 0 274.364 2.079 10 0 CEAERO [NH3+]CCc1ccc(Br)cc1Sc1nc[nH]n1 ZINC000082617373 178127335 /nfs/dbraw/zinc/12/73/35/178127335.db2.gz ZXCSSDPQRFOFCT-UHFFFAOYSA-N 1 0 299.197 2.220 10 0 CEAERO CC1(C)c2cc(C(=O)[C@@H]3CCC[NH2+]C3)ccc2NC1=O ZINC000082624108 178139596 /nfs/dbraw/zinc/13/95/96/178139596.db2.gz YSHNTWIYLOXPAK-LLVKDONJSA-N 1 0 272.348 2.099 10 0 CEAERO c1nc(CCNC2=[NH+]C[C@@H](C3CC3)S2)cs1 ZINC000082626565 178140522 /nfs/dbraw/zinc/14/05/22/178140522.db2.gz JWLVMCZVJVWQEK-JTQLQIEISA-N 1 0 253.396 2.157 10 0 CEAERO c1c2nc([C@H]3CCC[NH2+]C3)[nH]c2cc2c1OCCCO2 ZINC000034939117 361798413 /nfs/dbraw/zinc/79/84/13/361798413.db2.gz ITUASSGQQTVFIY-JTQLQIEISA-N 1 0 273.336 2.191 10 0 CEAERO OC[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000034400516 361789340 /nfs/dbraw/zinc/78/93/40/361789340.db2.gz DFZQIKALRBVCGH-OAHLLOKOSA-N 1 0 285.343 2.281 10 0 CEAERO O=C(CC1C[NH2+]C1)Nc1ccc(F)cc1Br ZINC000082738469 178261031 /nfs/dbraw/zinc/26/10/31/178261031.db2.gz MHHOKYQDVIBFPE-UHFFFAOYSA-N 1 0 287.132 2.136 10 0 CEAERO [NH3+][C@@H](C[S@@](=O)c1ccccc1Br)C1CC1 ZINC000082747355 178269671 /nfs/dbraw/zinc/26/96/71/178269671.db2.gz SPRCQAZSEACFSL-BONVTDFDSA-N 1 0 288.210 2.294 10 0 CEAERO COC(C)(C)C[C@H](C)NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000121852796 365623873 /nfs/dbraw/zinc/62/38/73/365623873.db2.gz MVDCHSVBMZFAPB-RDBSUJKOSA-N 1 0 299.459 2.218 10 0 CEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C1CC(c2ccccc2F)C1 ZINC000336561682 365646865 /nfs/dbraw/zinc/64/68/65/365646865.db2.gz UCJQISFOEMGAJM-QZLRTXKQSA-N 1 0 276.355 2.328 10 0 CEAERO CC[NH2+][C@@H](CCO)CSc1ncccc1Cl ZINC000082990737 178333061 /nfs/dbraw/zinc/33/30/61/178333061.db2.gz FMSYOKDCDHZHOW-VIFPVBQESA-N 1 0 260.790 2.188 10 0 CEAERO C[C@@H](C[NH3+])[C@@H](O)c1ccc(Br)s1 ZINC000083021739 178334548 /nfs/dbraw/zinc/33/45/48/178334548.db2.gz UKTRNLIZJXLHSV-YLWLKBPMSA-N 1 0 250.161 2.139 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CSc1ccc2c(c1)CCC2 ZINC000335501168 212181701 /nfs/dbraw/zinc/18/17/01/212181701.db2.gz SPIQTMAAVDKUDV-ABAIWWIYSA-N 1 0 290.432 2.216 10 0 CEAERO CCC[NH2+][C@@](C)(CO)CSc1nc(C)cs1 ZINC000082903498 178329370 /nfs/dbraw/zinc/32/93/70/178329370.db2.gz JTWGDHBQWMEQST-NSHDSACASA-N 1 0 260.428 2.294 10 0 CEAERO C[C@](O)(C[NH3+])CSc1ccc(Br)cc1 ZINC000082917436 178329375 /nfs/dbraw/zinc/32/93/75/178329375.db2.gz DYTNPCWSLZLCKY-JTQLQIEISA-N 1 0 276.199 2.251 10 0 CEAERO C[C@@H](C[C@@](C)([NH3+])CO)Sc1ncccc1Cl ZINC000082905465 178329474 /nfs/dbraw/zinc/32/94/74/178329474.db2.gz YKIFWMSPWAPKFK-GZMMTYOYSA-N 1 0 260.790 2.315 10 0 CEAERO [NH3+][C@@H](CO)CCSc1ccccc1Br ZINC000082904659 178329550 /nfs/dbraw/zinc/32/95/50/178329550.db2.gz RFVANFNNHIFDJD-MRVPVSSYSA-N 1 0 276.199 2.251 10 0 CEAERO COc1ccc([C@@H](O)[C@H]2CCC[NH2+]2)c(Br)c1 ZINC000082954642 178330350 /nfs/dbraw/zinc/33/03/50/178330350.db2.gz OOBSCOHNQZPDBV-VXGBXAGGSA-N 1 0 286.169 2.243 10 0 CEAERO CC(C)[C@@H](C)NC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000125692321 365682989 /nfs/dbraw/zinc/68/29/89/365682989.db2.gz NOUYUICWSDCZJY-QWHCGFSZSA-N 1 0 255.406 2.205 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C)CN1CCc1ccc(F)cc1 ZINC000083383584 178386164 /nfs/dbraw/zinc/38/61/64/178386164.db2.gz XZLHGDPVFZGPTQ-WFASDCNBSA-N 1 0 250.361 2.441 10 0 CEAERO COCCC[N@H+](Cc1ccsc1)CC(C)(C)O ZINC000036115507 361829340 /nfs/dbraw/zinc/82/93/40/361829340.db2.gz YZBAKDHTYJHFCS-UHFFFAOYSA-N 1 0 257.399 2.358 10 0 CEAERO C[C@H]1[NH2+]CCO[C@H]1c1cccc(Br)c1 ZINC000096884375 185120424 /nfs/dbraw/zinc/12/04/24/185120424.db2.gz BACMQQRWZKODEZ-LDYMZIIASA-N 1 0 256.143 2.499 10 0 CEAERO Oc1cccc2c1CC[C@@H]2[NH2+]CCCn1ccnc1 ZINC000036852645 361864823 /nfs/dbraw/zinc/86/48/23/361864823.db2.gz SYPZMYJEXMKSIG-AWEZNQCLSA-N 1 0 257.337 2.256 10 0 CEAERO COC[C@H](C)[N@H+](C)CCCOc1cccc(C(N)=S)c1 ZINC000049028907 522591866 /nfs/dbraw/zinc/59/18/66/522591866.db2.gz UILVTQZKQADVRA-LBPRGKRZSA-N 1 0 296.436 2.056 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@]2(CSCC[NH2+]2)C1 ZINC000096944270 185135001 /nfs/dbraw/zinc/13/50/01/185135001.db2.gz NKASXKBOJISQPM-CYBMUJFWSA-N 1 0 272.414 2.093 10 0 CEAERO [NH3+][C@H](c1cncn1Cc1cccs1)[C@H]1CCOC1 ZINC000097013771 185152152 /nfs/dbraw/zinc/15/21/52/185152152.db2.gz BPFRUYREPCJIJX-GWCFXTLKSA-N 1 0 263.366 2.029 10 0 CEAERO CCn1c2ccccc2cc(CNCCC[NH+](C)C)c1=O ZINC000039287558 361987417 /nfs/dbraw/zinc/98/74/17/361987417.db2.gz OHYCRDDZZWOFRH-UHFFFAOYSA-N 1 0 287.407 2.063 10 0 CEAERO O=C1C(C[NH2+]C2CCCC2)=CC2=CC=C[C@H]3CCN1[C@@H]23 ZINC000039287483 361987864 /nfs/dbraw/zinc/98/78/64/361987864.db2.gz KPIXDQZOIJEYLH-BLLLJJGKSA-N 1 0 270.376 2.172 10 0 CEAERO CCc1nn(C)cc1CN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000125523360 187189502 /nfs/dbraw/zinc/18/95/02/187189502.db2.gz QXKYWTPJMLMVNB-HIFRSBDPSA-N 1 0 278.444 2.383 10 0 CEAERO C[C@H](O)C[NH+]1CCC(CN(C)c2ccnc(Cl)c2)CC1 ZINC000125586324 187192098 /nfs/dbraw/zinc/19/20/98/187192098.db2.gz RDVFJAAEVYBISN-LBPRGKRZSA-N 1 0 297.830 2.264 10 0 CEAERO Cc1cc2c(c(Br)c1)NC[C@@]21C[C@@H]1[NH3+] ZINC000725247758 539192682 /nfs/dbraw/zinc/19/26/82/539192682.db2.gz XBYWERQEVHGQDI-ONGXEEELSA-N 1 0 253.143 2.152 10 0 CEAERO CCc1ccc([C@@H](C)[NH2+]CC[C@H]2CCNC2=O)cc1 ZINC000395832095 539187659 /nfs/dbraw/zinc/18/76/59/539187659.db2.gz VMGMBTZAGQHCDO-DOMZBBRYSA-N 1 0 260.381 2.426 10 0 CEAERO CCc1cc2c(ncnc2N2C[C@H]([NH3+])C[C@H]2C)s1 ZINC000385275789 539198779 /nfs/dbraw/zinc/19/87/79/539198779.db2.gz UMOHLBVDLQTXFD-RKDXNWHRSA-N 1 0 262.382 2.180 10 0 CEAERO CCC[C@H]([NH2+]CC)[C@H](CC)n1cc(S(C)(=O)=O)cn1 ZINC000725253222 539199411 /nfs/dbraw/zinc/19/94/11/539199411.db2.gz RIOLHXNJNFKWSB-STQMWFEESA-N 1 0 287.429 2.016 10 0 CEAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2ccn(-c3ccccc3)n2)C1 ZINC000124899493 539211441 /nfs/dbraw/zinc/21/14/41/539211441.db2.gz SAFBGVHDKVSNKE-CZUORRHYSA-N 1 0 271.364 2.265 10 0 CEAERO CC(C)(C)C(=O)N[C@H]1CC[NH2+]CC[C@H]1C(F)(F)F ZINC000725262865 539211973 /nfs/dbraw/zinc/21/19/73/539211973.db2.gz PVSGNIBOOMRBCQ-BDAKNGLRSA-N 1 0 266.307 2.079 10 0 CEAERO CCCS(=O)(=O)[C@@H]1CC[C@@H](C(C)C)C[C@H]1[NH2+]C ZINC000725265960 539213385 /nfs/dbraw/zinc/21/33/85/539213385.db2.gz ADAGLHOACKGWIP-JHJVBQTASA-N 1 0 261.431 2.224 10 0 CEAERO CCCCS(=O)(=O)Nc1cccc2c1CC[C@@H]2[NH3+] ZINC000725270626 539215180 /nfs/dbraw/zinc/21/51/80/539215180.db2.gz BZAORVMQRIJIGH-LBPRGKRZSA-N 1 0 268.382 2.174 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]Cc2ccc(Cl)cc2C)C1 ZINC000231747123 539232386 /nfs/dbraw/zinc/23/23/86/539232386.db2.gz UBMUXOFACSHEFR-HNNXBMFYSA-N 1 0 282.815 2.459 10 0 CEAERO CC[C@H]([NH2+]C[C@@H]1CN(CC)CCO1)[C@H]1CC1(C)C ZINC000397815610 539244308 /nfs/dbraw/zinc/24/43/08/539244308.db2.gz JODGYMJJYCAYBL-MCIONIFRSA-N 1 0 254.418 2.121 10 0 CEAERO C[C@@H](NC(=O)CC1([NH3+])CC1)c1ccc(Cl)s1 ZINC000398026884 539252153 /nfs/dbraw/zinc/25/21/53/539252153.db2.gz HRRWHJGIDGQZLY-SSDOTTSWSA-N 1 0 258.774 2.460 10 0 CEAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@H]1CCC=CO1 ZINC000248747320 282214119 /nfs/dbraw/zinc/21/41/19/282214119.db2.gz BFSPXHYWJCMESJ-LSDHHAIUSA-N 1 0 261.369 2.349 10 0 CEAERO CC[N@H+]1C[C@H](NCc2ncc(Cl)s2)[C@@H](C)C1 ZINC000309667619 539272873 /nfs/dbraw/zinc/27/28/73/539272873.db2.gz UVIMGSGGFJVPMT-IUCAKERBSA-N 1 0 259.806 2.226 10 0 CEAERO COc1cccc(-c2ncc(C[NH3+])s2)c1OC ZINC000040996830 362011004 /nfs/dbraw/zinc/01/10/04/362011004.db2.gz UVVJCSSMPPNXTG-UHFFFAOYSA-N 1 0 250.323 2.286 10 0 CEAERO C[C@H]1C[C@@H]([NH2+]CCCn2ccnn2)CC(C)(C)C1 ZINC000126497949 365712851 /nfs/dbraw/zinc/71/28/51/365712851.db2.gz SKNITPBYTBJHHJ-QWHCGFSZSA-N 1 0 250.390 2.473 10 0 CEAERO N[C@@H](C[NH3+])c1ccc(Br)c(Br)c1 ZINC000044472704 362153888 /nfs/dbraw/zinc/15/38/88/362153888.db2.gz FYRPTKQOISEHBW-QMMMGPOBSA-N 1 0 293.990 2.170 10 0 CEAERO CC[C@H](O)C[NH+]1CCN([C@@H](C)c2cccc(C)c2)CC1 ZINC000174075650 529702221 /nfs/dbraw/zinc/70/22/21/529702221.db2.gz QNZINMGXKISEAV-RDJZCZTQSA-N 1 0 276.424 2.445 10 0 CEAERO Cc1cc(N[C@@H]2CCC[NH2+]C2)nc(-c2ccncc2)n1 ZINC000045955127 362171590 /nfs/dbraw/zinc/17/15/90/362171590.db2.gz QBIZZBUNDKQAPF-CYBMUJFWSA-N 1 0 269.352 2.011 10 0 CEAERO O[C@@H](COCCCc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000034246864 343419597 /nfs/dbraw/zinc/41/95/97/343419597.db2.gz PAWPHGFYSPEYBZ-CVEARBPZSA-N 1 0 263.381 2.139 10 0 CEAERO C[C@H]([NH2+]CCc1cccs1)C(=O)NC1CCCC1 ZINC000034936687 343421305 /nfs/dbraw/zinc/42/13/05/343421305.db2.gz KSXRMXKXUNLZIB-NSHDSACASA-N 1 0 266.410 2.328 10 0 CEAERO O[C@H]1CCC[C@H]([NH2+]Cc2ccc(-n3ccnc3)cc2)C1 ZINC000037321165 343426551 /nfs/dbraw/zinc/42/65/51/343426551.db2.gz IMQVRBTZYANTST-HOCLYGCPSA-N 1 0 271.364 2.265 10 0 CEAERO O[C@H]1CCC[C@@H]([NH2+]Cc2cnc3ccccc3n2)C1 ZINC000037321176 343426749 /nfs/dbraw/zinc/42/67/49/343426749.db2.gz QVMLZTRBKYDSCN-YPMHNXCESA-N 1 0 257.337 2.023 10 0 CEAERO COCCOc1ccc(NC(=O)C2CCC([NH3+])CC2)cc1 ZINC000037630493 343430353 /nfs/dbraw/zinc/43/03/53/343430353.db2.gz VGOHGYYANHZABQ-UHFFFAOYSA-N 1 0 292.379 2.168 10 0 CEAERO CCN(CC)C(=O)N1CC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000039215888 343436162 /nfs/dbraw/zinc/43/61/62/343436162.db2.gz DJXVPUYANOWYFE-HNNXBMFYSA-N 1 0 275.396 2.312 10 0 CEAERO O=C(Cc1ccccc1)NCCCC[NH+]1CCCC1 ZINC000044456118 343471915 /nfs/dbraw/zinc/47/19/15/343471915.db2.gz OFMLNLSWBJGRKC-UHFFFAOYSA-N 1 0 260.381 2.221 10 0 CEAERO O=C(NCCCC[NH+]1CCCC1)c1cccc(F)c1 ZINC000044456345 343472128 /nfs/dbraw/zinc/47/21/28/343472128.db2.gz WQDPDYNDJWLULH-UHFFFAOYSA-N 1 0 264.344 2.432 10 0 CEAERO Cc1cccc(CN(C)C(=O)C[C@H]2CCC[NH2+]C2)c1 ZINC000054291190 343587390 /nfs/dbraw/zinc/58/73/90/343587390.db2.gz FKQDHHIQJSYJBR-CQSZACIVSA-N 1 0 260.381 2.343 10 0 CEAERO COc1ccc(Cc2noc(C[C@H]3CCC[NH2+]C3)n2)cc1 ZINC000054301512 343587478 /nfs/dbraw/zinc/58/74/78/343587478.db2.gz FQACATRZLPOXFL-CYBMUJFWSA-N 1 0 287.363 2.211 10 0 CEAERO COCCCCNC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000048216635 362249681 /nfs/dbraw/zinc/24/96/81/362249681.db2.gz BUGADDSXOUEOPL-OAHLLOKOSA-N 1 0 293.411 2.015 10 0 CEAERO COc1ccc(C[NH2+]CC[C@@H]2CCCO2)c(F)c1 ZINC000228596565 539349595 /nfs/dbraw/zinc/34/95/95/539349595.db2.gz RQTNBSFZRCVJHI-LBPRGKRZSA-N 1 0 253.317 2.493 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1Cc1ccc2c(c1)OCO2 ZINC000083548498 178577269 /nfs/dbraw/zinc/57/72/69/178577269.db2.gz GYUHRXPVTKFWNI-UONOGXRCSA-N 1 0 276.380 2.378 10 0 CEAERO CCOC(=O)c1ccc(N2C[C@H](C)[NH+](C)[C@@H](C)C2)cc1 ZINC000113030092 344275596 /nfs/dbraw/zinc/27/55/96/344275596.db2.gz FFRKYQXPGWEEMW-STQMWFEESA-N 1 0 276.380 2.392 10 0 CEAERO C[C@@H]([NH3+])[C@H](O)c1cc(Br)c(Br)o1 ZINC000129038961 344339913 /nfs/dbraw/zinc/33/99/13/344339913.db2.gz JEVIPJVYUJTVNJ-CVYQJGLWSA-N 1 0 298.962 2.185 10 0 CEAERO [NH3+]CCN[C@@H]1CCCc2sc(Br)cc21 ZINC000132277378 344362748 /nfs/dbraw/zinc/36/27/48/344362748.db2.gz PKFICMOPRJMTEI-MRVPVSSYSA-N 1 0 275.215 2.436 10 0 CEAERO C[C@]1(C(=O)NCC(C2CC2)C2CC2)CCCC[NH2+]1 ZINC000136190251 344384261 /nfs/dbraw/zinc/38/42/61/344384261.db2.gz VMVDYCVWFAMCDL-OAHLLOKOSA-N 1 0 250.386 2.071 10 0 CEAERO COc1ccc(CNC(=O)C[C@H]2CCC[NH2+]C2)cc1Cl ZINC000137426322 344388030 /nfs/dbraw/zinc/38/80/30/344388030.db2.gz IYAKWBDWZJTESM-LLVKDONJSA-N 1 0 296.798 2.355 10 0 CEAERO C[C@H]([NH3+])c1ccc(CN2CC[N@H+](C)C(C)(C)C2)c(F)c1 ZINC000142066427 344401924 /nfs/dbraw/zinc/40/19/24/344401924.db2.gz AWTCYCORUPMETO-LBPRGKRZSA-N 1 0 279.403 2.371 10 0 CEAERO O=C(NCC[C@H]1CCC[NH2+]C1)OCc1ccccc1 ZINC000143569721 344405796 /nfs/dbraw/zinc/40/57/96/344405796.db2.gz HEYJBKYGQMIKBO-CYBMUJFWSA-N 1 0 262.353 2.303 10 0 CEAERO COC(=O)c1ccc(NC[C@@H]([NH3+])c2ccccc2)nc1C ZINC000147675328 344412398 /nfs/dbraw/zinc/41/23/98/344412398.db2.gz LUWDLQFUGKQCAV-CQSZACIVSA-N 1 0 285.347 2.289 10 0 CEAERO CC(C)[C@H]1CN(c2ccc3cccnc3n2)CC[NH2+]1 ZINC000149379479 344414905 /nfs/dbraw/zinc/41/49/05/344414905.db2.gz UJAGXVVDBSPRNB-CYBMUJFWSA-N 1 0 256.353 2.064 10 0 CEAERO CC(C)N(CC[NH+](C)C)C(=O)N[C@H](C)C(C)(C)C ZINC000158665119 344452040 /nfs/dbraw/zinc/45/20/40/344452040.db2.gz PLRXVWUZEYLZCD-GFCCVEGCSA-N 1 0 257.422 2.403 10 0 CEAERO C[C@H](Cc1ccccc1F)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000158682339 344452061 /nfs/dbraw/zinc/45/20/61/344452061.db2.gz KJFFUAQFLRYVNH-OCCSQVGLSA-N 1 0 278.371 2.167 10 0 CEAERO CC(C)(C[NH3+])CNc1ncccc1Br ZINC000168942414 344480889 /nfs/dbraw/zinc/48/08/89/344480889.db2.gz WWVBGVBYGBWGPF-UHFFFAOYSA-N 1 0 258.163 2.241 10 0 CEAERO C[C@H]1C[C@H]1NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000170839477 344491648 /nfs/dbraw/zinc/49/16/48/344491648.db2.gz UDBLHVQOXXVQOZ-HZSPNIEDSA-N 1 0 267.417 2.206 10 0 CEAERO C[C@H]([NH3+])[C@@H](O)c1cc(Br)ccc1Cl ZINC000218533094 344536841 /nfs/dbraw/zinc/53/68/41/344536841.db2.gz RGIPMGGWTVZYRV-SSDLBLMSSA-N 1 0 264.550 2.483 10 0 CEAERO Oc1ccc([C@@H]2NCC[NH2+][C@H]2c2ccc(O)cc2)cc1 ZINC000222178595 344540616 /nfs/dbraw/zinc/54/06/16/344540616.db2.gz HLGPUULQSDIQOP-HOTGVXAUSA-N 1 0 270.332 2.073 10 0 CEAERO CC[NH2+]CCCNc1ncnc2c(C)csc21 ZINC000222329875 344540748 /nfs/dbraw/zinc/54/07/48/344540748.db2.gz NAISIFFMEKAUDQ-UHFFFAOYSA-N 1 0 250.371 2.411 10 0 CEAERO CCOc1ccccc1C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000226458155 344550395 /nfs/dbraw/zinc/55/03/95/344550395.db2.gz SWPODPITLKSSFR-ZDUSSCGKSA-N 1 0 276.380 2.299 10 0 CEAERO CCCCOC[C@H](O)C[NH2+]Cc1cc(F)ccc1F ZINC000227892712 344557584 /nfs/dbraw/zinc/55/75/84/344557584.db2.gz QEWUSNJTXRJPEC-CYBMUJFWSA-N 1 0 273.323 2.232 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]2CN(c3ncnc4ccccc43)C[C@H]21 ZINC000228552566 344561027 /nfs/dbraw/zinc/56/10/27/344561027.db2.gz RCNNHXSCGQIFEJ-MRVWCRGKSA-N 1 0 268.364 2.193 10 0 CEAERO CCc1ccc([C@H](C)[NH2+][C@@H]2CCCNC2=O)s1 ZINC000050395474 362419789 /nfs/dbraw/zinc/41/97/89/362419789.db2.gz VWEJQXMMFYJHAE-GXSJLCMTSA-N 1 0 252.383 2.240 10 0 CEAERO Cc1cn2c([nH+]1)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]12 ZINC000236046047 344594095 /nfs/dbraw/zinc/59/40/95/344594095.db2.gz CUVXARSSEWRYMN-NWDGAFQWSA-N 1 0 292.383 2.415 10 0 CEAERO [NH3+]Cc1cc(CN2C(=O)c3ccccc3C2=O)ccc1F ZINC000236213490 344594568 /nfs/dbraw/zinc/59/45/68/344594568.db2.gz IASVUZLNCPCYJH-UHFFFAOYSA-N 1 0 284.290 2.081 10 0 CEAERO C[C@@H](C[NH3+])Nc1ccc(F)cc1I ZINC000235111287 344589080 /nfs/dbraw/zinc/58/90/80/344589080.db2.gz ONEUAWBHYRMJHX-LURJTMIESA-N 1 0 294.111 2.189 10 0 CEAERO O=C1NCCC[C@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000050393873 362416677 /nfs/dbraw/zinc/41/66/77/362416677.db2.gz WTNJLBKUCHXRSG-LLVKDONJSA-N 1 0 273.163 2.362 10 0 CEAERO CCOCCN1CC[N@@H+]([C@@H]2C=CCCC2)C[C@H]1C ZINC000246292387 344615433 /nfs/dbraw/zinc/61/54/33/344615433.db2.gz VDYHDFDUCVPING-HUUCEWRRSA-N 1 0 252.402 2.138 10 0 CEAERO C[C@@H](NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)C(C)(C)C ZINC000246747223 344618041 /nfs/dbraw/zinc/61/80/41/344618041.db2.gz ZBFXZZXBGQFWPI-UPJWGTAASA-N 1 0 269.433 2.403 10 0 CEAERO C[NH+](C)C[C@H](NC(=O)NCc1ccco1)c1ccccc1 ZINC000053249480 362488995 /nfs/dbraw/zinc/48/89/95/362488995.db2.gz COBIWSLKRZGAAL-HNNXBMFYSA-N 1 0 287.363 2.382 10 0 CEAERO [NH3+]Cc1ccc(Br)nc1OC(F)(F)F ZINC000238676961 344607765 /nfs/dbraw/zinc/60/77/65/344607765.db2.gz CCULRKMBXLDKOC-UHFFFAOYSA-N 1 0 271.036 2.201 10 0 CEAERO O=S1(=O)CCC[C@H]([NH2+][C@H]2CCCC[C@H]2C(F)(F)F)C1 ZINC000251538188 344636568 /nfs/dbraw/zinc/63/65/68/344636568.db2.gz YBVNRCGBANIQRR-AXFHLTTASA-N 1 0 299.358 2.274 10 0 CEAERO C[C@H]1C[C@H](NC(=O)C[C@H]2CCC[NH2+]C2)C[C@@H](C)C1 ZINC000252188239 344638665 /nfs/dbraw/zinc/63/86/65/344638665.db2.gz UPKFWGORSPJLAV-RQJABVFESA-N 1 0 252.402 2.317 10 0 CEAERO [NH3+]C[C@@H]1C[C@H]1c1ccc(I)cc1 ZINC000307336270 344721959 /nfs/dbraw/zinc/72/19/59/344721959.db2.gz HFNIKUAYDHNWDS-WPRPVWTQSA-N 1 0 273.117 2.353 10 0 CEAERO O[C@H](c1cscc1Br)[C@@H]1C=CC[NH2+]1 ZINC000307454023 344722679 /nfs/dbraw/zinc/72/26/79/344722679.db2.gz VZWQVCWKLQHEFR-DTWKUNHWSA-N 1 0 260.156 2.072 10 0 CEAERO Cc1nnsc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000311588660 344734865 /nfs/dbraw/zinc/73/48/65/344734865.db2.gz ZLDPSQOYZFJVLD-UPJWGTAASA-N 1 0 281.425 2.362 10 0 CEAERO CN(C(=O)C(C1CC1)C1CC1)[C@@H]1CCC[NH2+]CC1 ZINC000306109904 344711822 /nfs/dbraw/zinc/71/18/22/344711822.db2.gz SYGKWOWMODNLDN-CYBMUJFWSA-N 1 0 250.386 2.023 10 0 CEAERO C[C@@H]1C[C@@H](N2CCNC2=O)CC[N@@H+]1Cc1ccccc1 ZINC000306595378 344715177 /nfs/dbraw/zinc/71/51/77/344715177.db2.gz KVEFTJDRGLOBEJ-HIFRSBDPSA-N 1 0 273.380 2.065 10 0 CEAERO CN(C)c1cc(C[N@H+](C)C[C@@H]2CCc3nccn3C2)ccn1 ZINC000328635906 344757338 /nfs/dbraw/zinc/75/73/38/344757338.db2.gz NULYCWXOXYSTIO-HNNXBMFYSA-N 1 0 299.422 2.039 10 0 CEAERO C[N@@H+](Cc1cccc(C(N)=O)c1)C[C@H]1CCc2nccn2C1 ZINC000328639054 344757613 /nfs/dbraw/zinc/75/76/13/344757613.db2.gz PJYHNIRQDSFCBO-CQSZACIVSA-N 1 0 298.390 2.461 10 0 CEAERO CC(C)[C@@H](CC[NH3+])CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000083718435 178723288 /nfs/dbraw/zinc/72/32/88/178723288.db2.gz UVWNMUSDPDRYKO-GFCCVEGCSA-N 1 0 291.395 2.125 10 0 CEAERO C[N@@H+]1CC[C@@H]2CN(c3cccc(F)c3C#N)C[C@@H]2C1 ZINC000388992956 344834701 /nfs/dbraw/zinc/83/47/01/344834701.db2.gz STVQSTWHOIUZGU-NEPJUHHUSA-N 1 0 259.328 2.085 10 0 CEAERO CCC[C@@H](Cc1nc([C@@H](C)OCC)no1)[NH2+]CC ZINC000083860105 178754865 /nfs/dbraw/zinc/75/48/65/178754865.db2.gz BFJKJVDHJNMYIL-MNOVXSKESA-N 1 0 255.362 2.488 10 0 CEAERO C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1ccncc1C#N ZINC000399615096 344858832 /nfs/dbraw/zinc/85/88/32/344858832.db2.gz ZAFBXIQYEIBWDQ-AWEZNQCLSA-N 1 0 280.375 2.308 10 0 CEAERO CCC[NH2+][C@H](C[S@](=O)CC)c1ccc2c(c1)OCCO2 ZINC000084007304 178771131 /nfs/dbraw/zinc/77/11/31/178771131.db2.gz AYSNDLQRSNADJP-XCLFUZPHSA-N 1 0 297.420 2.267 10 0 CEAERO CCC[C@](C[NH3+])(C[C@@H](C)O)c1cccc(OC)c1 ZINC000584597095 344961865 /nfs/dbraw/zinc/96/18/65/344961865.db2.gz ZNSQIMFHMAAPQL-IUODEOHRSA-N 1 0 251.370 2.463 10 0 CEAERO CC[C@H]1CC[C@H](CCN2CCOCC2)[N@H+](CC)C1 ZINC000584607203 344964333 /nfs/dbraw/zinc/96/43/33/344964333.db2.gz OVDGZSCMQRZMTA-LSDHHAIUSA-N 1 0 254.418 2.219 10 0 CEAERO CCOC[C@@H]([NH3+])Cc1cc(Br)ccc1F ZINC000084063976 178783599 /nfs/dbraw/zinc/78/35/99/178783599.db2.gz LWNNEMJHWQILOK-JTQLQIEISA-N 1 0 276.149 2.495 10 0 CEAERO CSCCc1nnc(CCC[NH2+]C(C)C)s1 ZINC000084118231 178795394 /nfs/dbraw/zinc/79/53/94/178795394.db2.gz BEIBOQCWIPMCEA-UHFFFAOYSA-N 1 0 259.444 2.374 10 0 CEAERO [NH3+]CCc1nnc(-c2ccc(Br)o2)s1 ZINC000084117694 178795422 /nfs/dbraw/zinc/79/54/22/178795422.db2.gz FITKMJPNCNXEAU-UHFFFAOYSA-N 1 0 274.143 2.062 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)NC12CC3CC(CC(C3)C1)C2 ZINC000054289968 362521968 /nfs/dbraw/zinc/52/19/68/362521968.db2.gz QJPJWIKWKVIHJR-ORVZXPRGSA-N 1 0 276.424 2.461 10 0 CEAERO COc1ccc(OC)c(NC(=O)C[C@H]2CCC[NH2+]C2)c1 ZINC000054290126 362521982 /nfs/dbraw/zinc/52/19/82/362521982.db2.gz QALBJUAYMMQNMS-LLVKDONJSA-N 1 0 278.352 2.032 10 0 CEAERO C[NH2+][C@H](C)C(=O)N[C@H](C)c1cccc(OC(F)F)c1 ZINC000054073105 362508995 /nfs/dbraw/zinc/50/89/95/362508995.db2.gz GGVVVRZKBHXHFD-RKDXNWHRSA-N 1 0 272.295 2.073 10 0 CEAERO CCN(Cc1cccc(Cl)c1)C(=O)[C@@H](C)[NH2+]C ZINC000054075051 362510509 /nfs/dbraw/zinc/51/05/09/362510509.db2.gz MZEIUXPDLIQLGW-SNVBAGLBSA-N 1 0 254.761 2.296 10 0 CEAERO CC(C)([NH3+])CC(=O)N(Cc1ccsc1)C1CC1 ZINC000084183802 178818210 /nfs/dbraw/zinc/81/82/10/178818210.db2.gz PPKGEZNGHKZZFY-UHFFFAOYSA-N 1 0 252.383 2.367 10 0 CEAERO c1ccc(CCc2noc(C[C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000054301517 362524709 /nfs/dbraw/zinc/52/47/09/362524709.db2.gz JWICQRXUCSGFFW-AWEZNQCLSA-N 1 0 271.364 2.397 10 0 CEAERO COc1ccc(F)cc1[C@H](C)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054307393 362525569 /nfs/dbraw/zinc/52/55/69/362525569.db2.gz QCLOUUKCMAJDDQ-RYUDHWBXSA-N 1 0 294.370 2.401 10 0 CEAERO Cc1sc2ncnc(N3CC[NH2+]C[C@@H]3C)c2c1C ZINC000054374903 362533605 /nfs/dbraw/zinc/53/36/05/362533605.db2.gz BSDZDRMLSZOUHF-QMMMGPOBSA-N 1 0 262.382 2.106 10 0 CEAERO CC[NH2+][C@@H](CC1CCOCC1)c1cc(CC)nn1C ZINC000097067709 185520350 /nfs/dbraw/zinc/52/03/50/185520350.db2.gz SUTUAZDMDHZXNC-AWEZNQCLSA-N 1 0 265.401 2.450 10 0 CEAERO CC[NH2+][C@H](CC1CCOCC1)c1cc(C)nn1C ZINC000097066874 185520441 /nfs/dbraw/zinc/52/04/41/185520441.db2.gz JQARHQCZPOYUOB-CYBMUJFWSA-N 1 0 251.374 2.196 10 0 CEAERO CC[NH2+][C@H](CC1CCCC1)C[C@H]1CCS(=O)(=O)C1 ZINC000097068632 185521054 /nfs/dbraw/zinc/52/10/54/185521054.db2.gz VJJVKHDSEADBBF-ZIAGYGMSSA-N 1 0 273.442 2.370 10 0 CEAERO CCS(=O)(=O)[C@H]1C[C@@H](c2ccccc2)CC[C@@H]1C[NH3+] ZINC000084269006 178835877 /nfs/dbraw/zinc/83/58/77/178835877.db2.gz YFUDDYJADMPELG-ZNMIVQPWSA-N 1 0 281.421 2.332 10 0 CEAERO CN[C@@](C)(C[C@H](C)[N@H+](C)[C@@H](C)CC(C)C)C(=O)OC ZINC000084348360 178862506 /nfs/dbraw/zinc/86/25/06/178862506.db2.gz MGCVRUKHYDHPLA-YDHLFZDLSA-N 1 0 272.433 2.283 10 0 CEAERO CCOC(=O)[C@@](C)(N)C[C@@H](C)[NH+]1CCC(C)(C)CC1 ZINC000084354470 178866097 /nfs/dbraw/zinc/86/60/97/178866097.db2.gz RNZZSXUHYYYART-DOMZBBRYSA-N 1 0 270.417 2.168 10 0 CEAERO C[C@H]([NH3+])C[C@H](C)S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000084357094 178867479 /nfs/dbraw/zinc/86/74/79/178867479.db2.gz GECBUIINQMXURA-YUMQZZPRSA-N 1 0 279.764 2.379 10 0 CEAERO COc1ccc(OC)c([C@H]([NH3+])Cc2c(C)nn(C)c2C)c1 ZINC000097138103 185544474 /nfs/dbraw/zinc/54/44/74/185544474.db2.gz QKSUTYXAXIJFMK-OAHLLOKOSA-N 1 0 289.379 2.297 10 0 CEAERO CC(C)[NH2+]CC1([C@H]2CS(=O)(=O)c3ccccc32)CC1 ZINC000097147699 185549454 /nfs/dbraw/zinc/54/94/54/185549454.db2.gz MOGBVAWEWVXXPC-ZDUSSCGKSA-N 1 0 279.405 2.336 10 0 CEAERO COC[C@H](C)N(C)[C@@H](C[NH3+])c1ccc(F)cc1C ZINC000050578995 522594837 /nfs/dbraw/zinc/59/48/37/522594837.db2.gz VILIRTVONSLEQT-FZMZJTMJSA-N 1 0 254.349 2.101 10 0 CEAERO O=C(Nc1ccc(Br)cc1Cl)C1C[NH2+]C1 ZINC000084408639 178883827 /nfs/dbraw/zinc/88/38/27/178883827.db2.gz AJECFCDHSYUOFI-UHFFFAOYSA-N 1 0 289.560 2.260 10 0 CEAERO O=[S@](CC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000084429408 178885339 /nfs/dbraw/zinc/88/53/39/178885339.db2.gz ICNZTHVKUSANBX-KRWDZBQOSA-N 1 0 255.358 2.419 10 0 CEAERO CCCc1cc(=O)[nH]c(S[C@H]2CCC[C@H]([NH2+]C)C2)n1 ZINC000084431284 178886424 /nfs/dbraw/zinc/88/64/24/178886424.db2.gz IVANYEBYIAMBGH-JQWIXIFHSA-N 1 0 281.425 2.345 10 0 CEAERO C[NH2+][C@@H]1CC[C@H](S(=O)(=O)c2cc(C)ccc2C)C1 ZINC000084433143 178887255 /nfs/dbraw/zinc/88/72/55/178887255.db2.gz YUZFFORYDHPQDV-OLZOCXBDSA-N 1 0 267.394 2.218 10 0 CEAERO O=C(NCc1ccccc1)c1ccc2c(c1)C[NH2+]C2 ZINC000058084474 362607960 /nfs/dbraw/zinc/60/79/60/362607960.db2.gz GRODWUDTACRESS-UHFFFAOYSA-N 1 0 252.317 2.220 10 0 CEAERO C[C@H]1CC([NH2+]C2CCC(C(N)=O)CC2)C[C@@H](C)C1 ZINC000084468341 178892432 /nfs/dbraw/zinc/89/24/32/178892432.db2.gz KUBIRFZGURQZCF-BTSKDQLBSA-N 1 0 252.402 2.445 10 0 CEAERO CC(C)c1ccc(C[N@H+](C)CCN(C)CCO)cc1 ZINC000623091476 349935415 /nfs/dbraw/zinc/93/54/15/349935415.db2.gz DEJOKNCAZLPCND-UHFFFAOYSA-N 1 0 264.413 2.166 10 0 CEAERO [NH3+]C1(c2ccc(I)cc2)CC1 ZINC000059668510 362651349 /nfs/dbraw/zinc/65/13/49/362651349.db2.gz LSKQMYZRANBMEL-UHFFFAOYSA-N 1 0 259.090 2.239 10 0 CEAERO CCC[NH2+][C@H](Cc1cc(C)nn1C)[C@H]1CCSC1 ZINC000097273343 185575358 /nfs/dbraw/zinc/57/53/58/185575358.db2.gz ASQPAUZBLPUAKF-GXTWGEPZSA-N 1 0 267.442 2.392 10 0 CEAERO CCCn1ncnc1C[C@@H]([NH3+])c1ccnc2ccccc21 ZINC000097282103 185579233 /nfs/dbraw/zinc/57/92/33/185579233.db2.gz SCLKYOPTSJZELC-CQSZACIVSA-N 1 0 281.363 2.479 10 0 CEAERO CC(C)n1ncnc1C[C@H]([NH3+])[C@]1(C)CCCS1 ZINC000097277502 185577056 /nfs/dbraw/zinc/57/70/56/185577056.db2.gz NNCMQIMGZBJRDC-JQWIXIFHSA-N 1 0 254.403 2.015 10 0 CEAERO CCn1ncnc1C[C@@H]([NH3+])[C@H]1CCCc2sccc21 ZINC000097280191 185577464 /nfs/dbraw/zinc/57/74/64/185577464.db2.gz ZCWJEAVTFKWZFK-CMPLNLGQSA-N 1 0 276.409 2.349 10 0 CEAERO CCO[C@@H](C)c1noc([C@@H](C[NH3+])c2ccccc2)n1 ZINC000084797479 178926803 /nfs/dbraw/zinc/92/68/03/178926803.db2.gz CTVOKNYZLAKOJB-JQWIXIFHSA-N 1 0 261.325 2.258 10 0 CEAERO COc1cc(OC)cc([C@@H]([NH3+])[C@H]2CCSC2)c1 ZINC000097312212 185585376 /nfs/dbraw/zinc/58/53/76/185585376.db2.gz MVZAOBUCRYVIEI-ZANVPECISA-N 1 0 253.367 2.457 10 0 CEAERO CCCOc1cncc([C@H]([NH2+]CC)c2ccnn2C)c1 ZINC000097381630 185595327 /nfs/dbraw/zinc/59/53/27/185595327.db2.gz CVITVYBMSBRDBB-HNNXBMFYSA-N 1 0 274.368 2.303 10 0 CEAERO C[NH2+]CC1(Cc2c(Br)c(C)nn2C)CC1 ZINC000085034272 178943931 /nfs/dbraw/zinc/94/39/31/178943931.db2.gz RDVQAIOXXNUKOY-UHFFFAOYSA-N 1 0 272.190 2.033 10 0 CEAERO C[NH2+][C@@H](c1cnn(C)c1C)c1cncc(OC(C)C)c1 ZINC000097382834 185594367 /nfs/dbraw/zinc/59/43/67/185594367.db2.gz MCTGXGCRQJTDOO-OAHLLOKOSA-N 1 0 274.368 2.220 10 0 CEAERO CC[NH2+][C@H](c1cnnn1C)[C@@H]1CSc2ccccc21 ZINC000097423866 185599959 /nfs/dbraw/zinc/59/99/59/185599959.db2.gz FVFIHYSUWNUGQQ-RISCZKNCSA-N 1 0 274.393 2.355 10 0 CEAERO COC(=O)C[C@@]1([C@H](C)[NH3+])CCCc2sccc21 ZINC000097431060 185601122 /nfs/dbraw/zinc/60/11/22/185601122.db2.gz JCGAFGTUVIIJOD-TVQRCGJNSA-N 1 0 253.367 2.233 10 0 CEAERO CC[NH2+][C@@H](c1cc(CC)nn1C)[C@@H](C)CCOC ZINC000097425628 185601321 /nfs/dbraw/zinc/60/13/21/185601321.db2.gz QUDQHDABLYEOPU-SMDDNHRTSA-N 1 0 253.390 2.306 10 0 CEAERO COC(=O)C[C@@]1([C@@H](C)[NH3+])CCSc2ccccc21 ZINC000097431045 185601626 /nfs/dbraw/zinc/60/16/26/185601626.db2.gz YSXUPWOJLITRJJ-QMTHXVAHSA-N 1 0 265.378 2.331 10 0 CEAERO CC[C@@H]([NH3+])[C@H](CC(=O)OC)c1cccc(OC)c1OC ZINC000097432579 185602167 /nfs/dbraw/zinc/60/21/67/185602167.db2.gz JTMFQSMKUBQYBH-VXGBXAGGSA-N 1 0 281.352 2.088 10 0 CEAERO OC[C@@]1([NH2+]CC2CC2)CCC[C@@H](C(F)(F)F)C1 ZINC000085132103 178953454 /nfs/dbraw/zinc/95/34/54/178953454.db2.gz OCGBDFDTRGLBPM-GHMZBOCLSA-N 1 0 251.292 2.470 10 0 CEAERO CCC[NH2+][C@H](CCc1nccn1C)c1cc(CC)nn1C ZINC000097452153 185609512 /nfs/dbraw/zinc/60/95/12/185609512.db2.gz LWYSNJQPHDJVTR-CQSZACIVSA-N 1 0 289.427 2.390 10 0 CEAERO CCCc1cccc([C@@H]([NH3+])C[C@H]2CCS(=O)(=O)C2)c1 ZINC000097452359 185609845 /nfs/dbraw/zinc/60/98/45/185609845.db2.gz ASTJECCZOZRKAN-HIFRSBDPSA-N 1 0 281.421 2.464 10 0 CEAERO C[NH2+][C@@H](c1cccc2c1OCC2)c1cc(C)nnc1C ZINC000097460413 185611156 /nfs/dbraw/zinc/61/11/56/185611156.db2.gz AOADCMZWKSGKDV-HNNXBMFYSA-N 1 0 269.348 2.337 10 0 CEAERO CC[C@H]1CN(c2cc3ccccc3c(=O)[nH]2)[C@@H](CC)C[NH2+]1 ZINC000086466219 136512747 /nfs/dbraw/zinc/51/27/47/136512747.db2.gz WLDSQMXVYQGPKP-KBPBESRZSA-N 1 0 285.391 2.495 10 0 CEAERO C[NH2+][C@](C)(CO)CCN(C)c1cc(C)cc(C)c1 ZINC000085215286 178979558 /nfs/dbraw/zinc/97/95/58/178979558.db2.gz AWGHHYAKCPUUMD-HNNXBMFYSA-N 1 0 250.386 2.100 10 0 CEAERO CSc1nc(Cl)cc(N2CCC(C[NH3+])CC2)n1 ZINC000095071752 136515551 /nfs/dbraw/zinc/51/55/51/136515551.db2.gz JGOKLEGGJOIUSW-UHFFFAOYSA-N 1 0 272.805 2.027 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)CCn1ncc2ccccc21 ZINC000085262637 178992626 /nfs/dbraw/zinc/99/26/26/178992626.db2.gz BWCGLJZLLHMZQY-HNNXBMFYSA-N 1 0 261.369 2.175 10 0 CEAERO CC(C)([C@@H](CC[C@H]1CCCO1)NN)[NH+]1CCCCC1 ZINC000097581710 185630240 /nfs/dbraw/zinc/63/02/40/185630240.db2.gz XRTUGIZYCAFTTK-ZIAGYGMSSA-N 1 0 269.433 2.042 10 0 CEAERO CC[C@](C)([C@H](Cc1cccc(F)c1F)NN)[NH+](C)C ZINC000097583292 185631159 /nfs/dbraw/zinc/63/11/59/185631159.db2.gz ZDWNYWIYVLJHRV-GXTWGEPZSA-N 1 0 271.355 2.070 10 0 CEAERO CCOc1ccc([C@@H](NN)[C@@](C)(CC)[NH+](C)C)cc1 ZINC000097582962 185631642 /nfs/dbraw/zinc/63/16/42/185631642.db2.gz XNILVJHFRZJNKW-HUUCEWRRSA-N 1 0 265.401 2.320 10 0 CEAERO CC(C)CCN(C)C[C@@](CO)([NH2+]C(C)C)C1CC1 ZINC000085244113 178988839 /nfs/dbraw/zinc/98/88/39/178988839.db2.gz UXLSFWDMVHQJAF-HNNXBMFYSA-N 1 0 256.434 2.103 10 0 CEAERO NN[C@H](C1CCOCC1)C1([NH+]2CCCCC2)CCCC1 ZINC000097588592 185633104 /nfs/dbraw/zinc/63/31/04/185633104.db2.gz AGNUNHBKGFASLU-OAHLLOKOSA-N 1 0 281.444 2.044 10 0 CEAERO Cc1cnn(CC[NH2+][C@@H](C)c2cnc3cc(C)nn3c2C)c1 ZINC000179452720 232393977 /nfs/dbraw/zinc/39/39/77/232393977.db2.gz NPMKOTRSVYUOCN-ZDUSSCGKSA-N 1 0 298.394 2.202 10 0 CEAERO C[NH+](C)C1([C@@H](NN)[C@H]2CCOC3(CCCC3)C2)CCCC1 ZINC000097587790 185633846 /nfs/dbraw/zinc/63/38/46/185633846.db2.gz SBZTXTYRMKYXFG-GJZGRUSLSA-N 1 0 295.471 2.432 10 0 CEAERO NN[C@@H](c1cccnc1)C1([NH+]2CCCCC2)CCCC1 ZINC000097588704 185633865 /nfs/dbraw/zinc/63/38/65/185633865.db2.gz OLHXJAUYXOISFP-HNNXBMFYSA-N 1 0 274.412 2.385 10 0 CEAERO CC[NH2+][C@@](C)(CO)C[C@H](C)Oc1ccc(F)cc1 ZINC000085285109 179002611 /nfs/dbraw/zinc/00/26/11/179002611.db2.gz IZSYEYUSCYWELJ-SMDDNHRTSA-N 1 0 255.333 2.344 10 0 CEAERO CC(C)(C)c1ccccc1OC[C@@]([NH3+])(CO)C1CC1 ZINC000085283289 179001057 /nfs/dbraw/zinc/00/10/57/179001057.db2.gz KYCIHPKHNRNECG-INIZCTEOSA-N 1 0 263.381 2.463 10 0 CEAERO CCC[NH2+][C@](C)(CO)C[C@H](C)OCC(F)(F)F ZINC000085282824 179001161 /nfs/dbraw/zinc/00/11/61/179001161.db2.gz XMTVSKOFSAKLEX-UWVGGRQHSA-N 1 0 257.296 2.095 10 0 CEAERO CC(C)(C)c1ccc(OCC[C@@](C)([NH3+])CO)cc1 ZINC000085284339 179002321 /nfs/dbraw/zinc/00/23/21/179002321.db2.gz XLPGVGNBDKUTNU-OAHLLOKOSA-N 1 0 251.370 2.463 10 0 CEAERO [NH3+][C@@](CO)(COc1ccc2ccccc2c1)C1CC1 ZINC000085285722 179003387 /nfs/dbraw/zinc/00/33/87/179003387.db2.gz QEUJVMYXMWUESI-INIZCTEOSA-N 1 0 257.333 2.318 10 0 CEAERO CC[NH2+][C@](C)(CO)C[C@@H](C)Oc1cccc(F)c1 ZINC000085285446 179003518 /nfs/dbraw/zinc/00/35/18/179003518.db2.gz FHACVRRJCDVMJG-RISCZKNCSA-N 1 0 255.333 2.344 10 0 CEAERO CC[NH2+][C@@](CO)(CO[C@@H](C)CC)c1ccccc1 ZINC000085286979 179004786 /nfs/dbraw/zinc/00/47/86/179004786.db2.gz CZVXMMQZPREVIB-ZFWWWQNUSA-N 1 0 251.370 2.299 10 0 CEAERO Cc1ccc2[nH]c(SC[C@]([NH3+])(CO)C3CC3)nc2c1 ZINC000085288257 179005034 /nfs/dbraw/zinc/00/50/34/179005034.db2.gz KVTSKIVTKINZFX-CQSZACIVSA-N 1 0 277.393 2.063 10 0 CEAERO Cc1ccc2[nH]c(SC[C@@H](CO)[NH2+]C3CC3)nc2c1 ZINC000085288331 179005176 /nfs/dbraw/zinc/00/51/76/179005176.db2.gz SVHSZRXXCNZWTE-LLVKDONJSA-N 1 0 277.393 2.076 10 0 CEAERO Cc1ccc2[nH]c(S[C@H](C)C[C@](C)([NH3+])CO)nc2c1 ZINC000085288270 179005436 /nfs/dbraw/zinc/00/54/36/179005436.db2.gz KNHSCQAFSSNMQV-YGRLFVJLSA-N 1 0 279.409 2.452 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)C[C@@H](C)SC1CCOCC1 ZINC000085290171 179006655 /nfs/dbraw/zinc/00/66/55/179006655.db2.gz ZQEJFOSUQXTVMX-TZMCWYRMSA-N 1 0 275.458 2.426 10 0 CEAERO COc1cccc(S[C@H](C)C[C@@](C)([NH3+])CO)c1 ZINC000085291091 179006840 /nfs/dbraw/zinc/00/68/40/179006840.db2.gz AQZDFAOGQWQISR-ZWNOBZJWSA-N 1 0 255.383 2.276 10 0 CEAERO C[NH2+][C@](C)(CO)CCSc1nc2ccccc2[nH]1 ZINC000085291696 179006959 /nfs/dbraw/zinc/00/69/59/179006959.db2.gz KLUFNFRRIPCOAJ-ZDUSSCGKSA-N 1 0 265.382 2.016 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCSc1nc2ccccc2[nH]1 ZINC000085291727 179007498 /nfs/dbraw/zinc/00/74/98/179007498.db2.gz HIDDIKUANWPKFE-CQSZACIVSA-N 1 0 279.409 2.406 10 0 CEAERO CC[NH2+][C@@](C)(CO)C[C@@H](C)Sc1ccccn1 ZINC000085292087 179007615 /nfs/dbraw/zinc/00/76/15/179007615.db2.gz JNVCPXKTKPOVMP-DGCLKSJQSA-N 1 0 254.399 2.313 10 0 CEAERO C[C@@]([NH3+])(CO)CCCSc1nc2ccccc2o1 ZINC000085292450 179007892 /nfs/dbraw/zinc/00/78/92/179007892.db2.gz GIHWILXJTSLLBY-ZDUSSCGKSA-N 1 0 266.366 2.410 10 0 CEAERO Cc1ccc(C)c(SC[C@]([NH3+])(CO)C2CC2)c1 ZINC000085292632 179008387 /nfs/dbraw/zinc/00/83/87/179008387.db2.gz OFTFYWHCMMIIDN-CQSZACIVSA-N 1 0 251.395 2.495 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCCSc1ncc(C)cn1 ZINC000085297804 179008994 /nfs/dbraw/zinc/00/89/94/179008994.db2.gz GSZCGEXJZMISDT-CYBMUJFWSA-N 1 0 269.414 2.018 10 0 CEAERO CC(C)[NH2+][C@H](CO)CSc1ccc(F)cc1F ZINC000085298291 179009365 /nfs/dbraw/zinc/00/93/65/179009365.db2.gz XQTDUSOGYHIPRY-SNVBAGLBSA-N 1 0 261.337 2.416 10 0 CEAERO CC[C@H]1CCCC[N@@H+]1C[C@@](O)(CN)c1ccccc1 ZINC000085300050 179010686 /nfs/dbraw/zinc/01/06/86/179010686.db2.gz AMAKNHUCQVUPIU-HOTGVXAUSA-N 1 0 262.397 2.097 10 0 CEAERO CCN(CCC[C@@](C)(O)C[NH3+])c1ccccc1C ZINC000085303917 179010937 /nfs/dbraw/zinc/01/09/37/179010937.db2.gz VVFBBANUCDSBNY-OAHLLOKOSA-N 1 0 250.386 2.311 10 0 CEAERO C[C@H](C[C@@](C)(O)C[NH3+])Oc1ccc2c(c1)CCCC2 ZINC000085305468 179012176 /nfs/dbraw/zinc/01/21/76/179012176.db2.gz URGCUGRCISKKRH-MLGOLLRUSA-N 1 0 263.381 2.433 10 0 CEAERO Cc1cc(C(C)(C)C)ccc1OCC[C@H](O)C[NH3+] ZINC000085307563 179012644 /nfs/dbraw/zinc/01/26/44/179012644.db2.gz HFJGEGMIJMBJPK-ZDUSSCGKSA-N 1 0 251.370 2.381 10 0 CEAERO CC1CCC(OC[C@](O)(C[NH3+])c2ccccc2)CC1 ZINC000085306048 179012650 /nfs/dbraw/zinc/01/26/50/179012650.db2.gz HUDQYPXECTXNRA-AVVWSFFYSA-N 1 0 263.381 2.428 10 0 CEAERO Cc1cc(C)c(C)c(O[C@H](C)C[C@@](C)(O)C[NH3+])c1 ZINC000085307379 179012867 /nfs/dbraw/zinc/01/28/67/179012867.db2.gz WJZHRTFEIRWXQN-IUODEOHRSA-N 1 0 251.370 2.479 10 0 CEAERO Cc1cccc(CSC[C@](O)(C[NH3+])C2CC2)c1 ZINC000085308071 179013387 /nfs/dbraw/zinc/01/33/87/179013387.db2.gz NRYUKDRDBUGJGL-CQSZACIVSA-N 1 0 251.395 2.328 10 0 CEAERO COc1ccc(SCCC[C@](C)(O)C[NH3+])cc1 ZINC000085308547 179013400 /nfs/dbraw/zinc/01/34/00/179013400.db2.gz OQWAAQRTRSTOOV-ZDUSSCGKSA-N 1 0 255.383 2.277 10 0 CEAERO CCC[NH2+][C@H](CCO)c1ccc(OC)cc1OC ZINC000085320584 179014214 /nfs/dbraw/zinc/01/42/14/179014214.db2.gz ABXJGLHSYLOFIG-CYBMUJFWSA-N 1 0 253.342 2.127 10 0 CEAERO COc1cccc(COC(=O)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000085330977 179020565 /nfs/dbraw/zinc/02/05/65/179020565.db2.gz SMZYFGCXOZQBJZ-KBPBESRZSA-N 1 0 263.337 2.256 10 0 CEAERO COc1ccc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])c(OC)c1 ZINC000085355410 179030433 /nfs/dbraw/zinc/03/04/33/179030433.db2.gz KFUQLJYKSIOHAY-RYUDHWBXSA-N 1 0 278.352 2.160 10 0 CEAERO COc1cc(NC(=O)[C@H]2CCCC[C@H]2[NH3+])cc(OC)c1 ZINC000085356017 179030457 /nfs/dbraw/zinc/03/04/57/179030457.db2.gz HOSJCEDQQVOHJW-UONOGXRCSA-N 1 0 278.352 2.160 10 0 CEAERO COC(=O)c1ccc(C)c(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000085360558 179032275 /nfs/dbraw/zinc/03/22/75/179032275.db2.gz UEBVADTWSVQWCU-STQMWFEESA-N 1 0 290.363 2.238 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)Nc1cccc(OC(F)F)c1 ZINC000085362024 179033598 /nfs/dbraw/zinc/03/35/98/179033598.db2.gz XIHHTDUGSWOOQH-QWRGUYRKSA-N 1 0 270.279 2.354 10 0 CEAERO COC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000085362464 179034191 /nfs/dbraw/zinc/03/41/91/179034191.db2.gz NDBUNEHWPYCQLL-MWLCHTKSSA-N 1 0 296.754 2.193 10 0 CEAERO Cc1nc2cc(NC(=O)[C@H]3CCCC[C@H]3[NH3+])ccc2[nH]1 ZINC000085363956 179035121 /nfs/dbraw/zinc/03/51/21/179035121.db2.gz QINMMGMGRFVWFI-NWDGAFQWSA-N 1 0 272.352 2.327 10 0 CEAERO COC(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])c(C)c1 ZINC000085364453 179035392 /nfs/dbraw/zinc/03/53/92/179035392.db2.gz BSRXXZGWPBNPJC-CHWSQXEVSA-N 1 0 290.363 2.238 10 0 CEAERO c1ccc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)cc1 ZINC000105802005 136528041 /nfs/dbraw/zinc/52/80/41/136528041.db2.gz PDHBGPSCBWKSCV-OAHLLOKOSA-N 1 0 268.364 2.235 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)N1CCc2sccc2C1 ZINC000085355145 179029918 /nfs/dbraw/zinc/02/99/18/179029918.db2.gz INUMDWVNRKRQQZ-RYUDHWBXSA-N 1 0 264.394 2.150 10 0 CEAERO CC(C)(c1ncc(Br)s1)N1CC[NH2+]CC1 ZINC000085352105 179029970 /nfs/dbraw/zinc/02/99/70/179029970.db2.gz IKFLCZIIHDQCNP-UHFFFAOYSA-N 1 0 290.230 2.046 10 0 CEAERO COc1cccc(CN(C)C(=O)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000085366452 179036971 /nfs/dbraw/zinc/03/69/71/179036971.db2.gz UKBITTLWISRQCT-LSDHHAIUSA-N 1 0 276.380 2.171 10 0 CEAERO COc1cc(C)ccc1NC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085366198 179037102 /nfs/dbraw/zinc/03/71/02/179037102.db2.gz RKYCGIIMXCHUQQ-VXGBXAGGSA-N 1 0 262.353 2.460 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)N(Cc1ccccn1)C1CC1 ZINC000085367574 179037732 /nfs/dbraw/zinc/03/77/32/179037732.db2.gz SXHAIXDARIFRGM-CABCVRRESA-N 1 0 273.380 2.090 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000085368097 179038233 /nfs/dbraw/zinc/03/82/33/179038233.db2.gz CUFZAZJYUOODEW-LSDHHAIUSA-N 1 0 276.355 2.444 10 0 CEAERO Cc1nc(C)c([C@@H](C)NC(=O)[C@@H]2CCC[C@@H]2[NH3+])s1 ZINC000085370582 179040728 /nfs/dbraw/zinc/04/07/28/179040728.db2.gz NURXFOFYPGEWQV-IEBDPFPHSA-N 1 0 267.398 2.065 10 0 CEAERO Cc1nc(C)c([C@H](C)NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])s1 ZINC000085370579 179040882 /nfs/dbraw/zinc/04/08/82/179040882.db2.gz LOLHRFAASIGZCQ-WCQGTBRESA-N 1 0 281.425 2.455 10 0 CEAERO COc1ccc(NC(=O)[C@H]2CCCC[C@H]2[NH3+])cc1C ZINC000085372631 179042436 /nfs/dbraw/zinc/04/24/36/179042436.db2.gz ICLVTJHDYAYQLY-QWHCGFSZSA-N 1 0 262.353 2.460 10 0 CEAERO CCN(C(=O)[C@H]1CCC[C@@H]1[NH3+])c1ccc(F)cc1 ZINC000085373633 179042935 /nfs/dbraw/zinc/04/29/35/179042935.db2.gz DAJSYAMPXKDVGC-STQMWFEESA-N 1 0 250.317 2.306 10 0 CEAERO CC(C)CO[C@@H]1C[C@H]([NH2+]CCc2nccn2C)C1(C)C ZINC000085400985 179051713 /nfs/dbraw/zinc/05/17/13/179051713.db2.gz AVGYRCCJSOSLJI-UONOGXRCSA-N 1 0 279.428 2.392 10 0 CEAERO CC(C)CO[C@@H]1C[C@@H]([NH2+]CCc2nccn2C)C1(C)C ZINC000085400989 179052064 /nfs/dbraw/zinc/05/20/64/179052064.db2.gz AVGYRCCJSOSLJI-ZIAGYGMSSA-N 1 0 279.428 2.392 10 0 CEAERO Cc1ccc(F)cc1CN1CCOC[C@@H]1C[NH2+]C1CC1 ZINC000097849835 185673424 /nfs/dbraw/zinc/67/34/24/185673424.db2.gz FBBFUILEDFSGMS-INIZCTEOSA-N 1 0 278.371 2.087 10 0 CEAERO CN(C)c1nccc(Oc2ccc(C[NH3+])cc2Cl)n1 ZINC000085432380 179060493 /nfs/dbraw/zinc/06/04/93/179060493.db2.gz PXAMBAPSYQKQCV-UHFFFAOYSA-N 1 0 278.743 2.447 10 0 CEAERO C[C@]1(C2CC2)CN(CCCOCC(F)(F)F)CC[NH2+]1 ZINC000085449512 179064633 /nfs/dbraw/zinc/06/46/33/179064633.db2.gz JSIPTECXGGDGGY-GFCCVEGCSA-N 1 0 280.334 2.029 10 0 CEAERO CCC[C@@H]1CN([C@@H]2CCOC2)C(CC)(CC)C[NH2+]1 ZINC000085466214 179072056 /nfs/dbraw/zinc/07/20/56/179072056.db2.gz OEPVRGWFWLWJTB-ZIAGYGMSSA-N 1 0 254.418 2.408 10 0 CEAERO CC(C)C[C@H]1CN[C@@H](C(C)C)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085466986 179072507 /nfs/dbraw/zinc/07/25/07/179072507.db2.gz QMFHDVIMWJMNPX-HRCADAONSA-N 1 0 268.445 2.367 10 0 CEAERO CO[C@@H]1CCC[C@@H]([N@@H+]2CCNCC23CCCC3)C1 ZINC000085452301 179066074 /nfs/dbraw/zinc/06/60/74/179066074.db2.gz YVOJSNPMMQJMEZ-ZIAGYGMSSA-N 1 0 252.402 2.162 10 0 CEAERO FC(F)(F)CCN1CC[NH2+]C[C@H]1Cc1ccccc1 ZINC000085452670 179066172 /nfs/dbraw/zinc/06/61/72/179066172.db2.gz WJAWBMSGZJRVCH-CYBMUJFWSA-N 1 0 272.314 2.455 10 0 CEAERO CC[C@@]1(C)CN[C@@H](C)C[N@@H+]1[C@@H]1CCC[C@H](OC)C1 ZINC000085454197 179066817 /nfs/dbraw/zinc/06/68/17/179066817.db2.gz ZKNOIFOPHHGEKX-XGUBFFRZSA-N 1 0 254.418 2.406 10 0 CEAERO C[C@@H]1CN(CCOCC(F)(F)F)C2(CCCC2)C[NH2+]1 ZINC000085454384 179066956 /nfs/dbraw/zinc/06/69/56/179066956.db2.gz ACAPWRDEXJBCOO-LLVKDONJSA-N 1 0 280.334 2.172 10 0 CEAERO c1ccc(CN2CC[NH2+]C[C@H]2C2CCCCC2)nc1 ZINC000085452961 179067076 /nfs/dbraw/zinc/06/70/76/179067076.db2.gz GWSGRDNDNPQRCS-INIZCTEOSA-N 1 0 259.397 2.436 10 0 CEAERO C[C@H]1CN(CCC(F)(F)F)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085454649 179067710 /nfs/dbraw/zinc/06/77/10/179067710.db2.gz QIRLVFRVWGTZEH-GXSJLCMTSA-N 1 0 250.308 2.401 10 0 CEAERO CCC[C@H]1CN(Cc2ccccn2)[C@H](C2CC2)C[NH2+]1 ZINC000085455323 179068183 /nfs/dbraw/zinc/06/81/83/179068183.db2.gz BYAIOMAOBPGWTM-HOCLYGCPSA-N 1 0 259.397 2.434 10 0 CEAERO CC[NH2+]CCCCc1ccc2c(c1)NC(=O)CCO2 ZINC000098130796 185691963 /nfs/dbraw/zinc/69/19/63/185691963.db2.gz YFTNGHNVJDEJSC-UHFFFAOYSA-N 1 0 262.353 2.340 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@H](CC)CN1Cc1cnn(CC)c1 ZINC000085472738 179077465 /nfs/dbraw/zinc/07/74/65/179077465.db2.gz UJLZMYXPKHDBDF-LSDHHAIUSA-N 1 0 264.417 2.256 10 0 CEAERO CC[C@@H]1CN(CCOC)[C@@](C)(c2ccccc2)C[NH2+]1 ZINC000085475195 179079002 /nfs/dbraw/zinc/07/90/02/179079002.db2.gz CHVAZVMLYAFFHO-HZPDHXFCSA-N 1 0 262.397 2.232 10 0 CEAERO CC(C)C[C@@H]1CN([C@@H]2CCOC2)[C@H](C(C)C)C[NH2+]1 ZINC000085487765 179081201 /nfs/dbraw/zinc/08/12/01/179081201.db2.gz MSQRBJUXLZYGOE-KFWWJZLASA-N 1 0 254.418 2.120 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](CC(C)C)CN1C[C@@H]1CCCO1 ZINC000085487336 179081303 /nfs/dbraw/zinc/08/13/03/179081303.db2.gz MPKQJUHDWDCMTJ-KKUMJFAQSA-N 1 0 254.418 2.264 10 0 CEAERO CC[C@H]1C[NH2+][C@H](CC(C)C)CN1Cc1cnn(C)c1 ZINC000085487503 179081541 /nfs/dbraw/zinc/08/15/41/179081541.db2.gz PJFMZFAFFVOYQE-CABCVRRESA-N 1 0 264.417 2.019 10 0 CEAERO CC1(C)C[N@H+](C[C@@H]2CCCO2)C2(CCCC2)CN1 ZINC000085471444 179075997 /nfs/dbraw/zinc/07/59/97/179075997.db2.gz IZWZJPDEDHFWEA-ZDUSSCGKSA-N 1 0 252.402 2.162 10 0 CEAERO CC1(C)CN(CC(F)(F)F)[C@](C)(C2CC2)C[NH2+]1 ZINC000085471625 179076151 /nfs/dbraw/zinc/07/61/51/179076151.db2.gz REYRVRPSMCUJQM-NSHDSACASA-N 1 0 250.308 2.401 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](c2ccccc2)CN1Cc1cnn(C)c1 ZINC000085505608 179084721 /nfs/dbraw/zinc/08/47/21/179084721.db2.gz GJOKGJCBYLONQU-DLBZAZTESA-N 1 0 284.407 2.345 10 0 CEAERO CCC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1cnn(C)c1 ZINC000085511950 179086057 /nfs/dbraw/zinc/08/60/57/179086057.db2.gz NEDNUZIYWLZPLW-CVEARBPZSA-N 1 0 276.428 2.163 10 0 CEAERO C[C@]1(C2CC2)C[N@H+](C[C@@H]2CCCCO2)[C@H](C2CC2)CN1 ZINC000085513678 179086273 /nfs/dbraw/zinc/08/62/73/179086273.db2.gz IOYZWBQERQDGRB-YESZJQIVSA-N 1 0 278.440 2.408 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@](C)(C2CC2)CN1Cc1ncccn1 ZINC000085515045 179086332 /nfs/dbraw/zinc/08/63/32/179086332.db2.gz RHWWFOJNSZRLOR-HOTGVXAUSA-N 1 0 274.412 2.219 10 0 CEAERO CCC1(CC)CN(CCn2ccnc2C)C(C)(C)C[NH2+]1 ZINC000085519896 179087288 /nfs/dbraw/zinc/08/72/88/179087288.db2.gz ZVKSTQBYPIULAE-UHFFFAOYSA-N 1 0 278.444 2.434 10 0 CEAERO CC[C@H]1C[NH2+]C(CC)(CC)CN1C[C@@H]1CCCO1 ZINC000085517319 179087413 /nfs/dbraw/zinc/08/74/13/179087413.db2.gz IGLSHYXJXDVSDK-KBPBESRZSA-N 1 0 254.418 2.408 10 0 CEAERO CCC[C@H]1C[NH2+][C@@H](C2CC2)CN1CCOCC(F)(F)F ZINC000085523282 179088425 /nfs/dbraw/zinc/08/84/25/179088425.db2.gz QKQBRBDCJNCRAZ-QWHCGFSZSA-N 1 0 294.361 2.418 10 0 CEAERO CC[C@@H](C)[C@H]1C[N@H+](C[C@@H]2CCOC2)C(C)(C)CN1 ZINC000085493072 179082399 /nfs/dbraw/zinc/08/23/99/179082399.db2.gz VUYMROMTNSNCHG-HZSPNIEDSA-N 1 0 254.418 2.121 10 0 CEAERO CCC[C@@H]1CNC2(CCCC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085497987 179082848 /nfs/dbraw/zinc/08/28/48/179082848.db2.gz MHPKMJNHEBONKA-LSDHHAIUSA-N 1 0 266.429 2.410 10 0 CEAERO COCCC[N@@H+]1C[C@H](c2ccccc2)NC[C@@H]1C1CC1 ZINC000085506919 179084336 /nfs/dbraw/zinc/08/43/36/179084336.db2.gz JLVMVJPOSONVEA-IAGOWNOFSA-N 1 0 274.408 2.448 10 0 CEAERO CC[C@H]1CN[C@H](C2CC2)C[N@@H+]1CCCOCC(F)(F)F ZINC000085522741 179088945 /nfs/dbraw/zinc/08/89/45/179088945.db2.gz UHPJYVRJOAEEKD-STQMWFEESA-N 1 0 294.361 2.418 10 0 CEAERO CC1(C)[C@H](Oc2cncc(Br)c2)C[C@@H]1[NH3+] ZINC000085526322 179089159 /nfs/dbraw/zinc/08/91/59/179089159.db2.gz XJYGHWFAAFBMMM-VHSXEESVSA-N 1 0 271.158 2.349 10 0 CEAERO CC(C)(C)[C@@H]1C[NH2+][C@@H](C2CC2)CN1C[C@@H]1CCCO1 ZINC000085526820 179089426 /nfs/dbraw/zinc/08/94/26/179089426.db2.gz JYNSRVLXRWPJJW-ZNMIVQPWSA-N 1 0 266.429 2.264 10 0 CEAERO CCC1(CC)CN[C@H](C2CC2)C[N@@H+]1CCCOC ZINC000085528764 179091210 /nfs/dbraw/zinc/09/12/10/179091210.db2.gz KMBIPJZARKMFNP-AWEZNQCLSA-N 1 0 254.418 2.266 10 0 CEAERO CCC[NH+](CCC)Cc1ncccc1C(=O)OC ZINC000336790479 365812309 /nfs/dbraw/zinc/81/23/09/365812309.db2.gz XGFDZHVNTWFLKY-UHFFFAOYSA-N 1 0 250.342 2.490 10 0 CEAERO NC(=[NH2+])SC[C@H]1Cc2cc(Br)ccc2O1 ZINC000085539456 179092390 /nfs/dbraw/zinc/09/23/90/179092390.db2.gz KYIZCYMNQOISIT-MRVPVSSYSA-N 1 0 287.182 2.379 10 0 CEAERO NC(=[NH2+])SC[C@@H]1Cc2cc(Br)ccc2O1 ZINC000085539458 179092457 /nfs/dbraw/zinc/09/24/57/179092457.db2.gz KYIZCYMNQOISIT-QMMMGPOBSA-N 1 0 287.182 2.379 10 0 CEAERO CC[NH2+][C@@H]1CCOC[C@@H]1Oc1cc(C)ccc1F ZINC000085554789 179093146 /nfs/dbraw/zinc/09/31/46/179093146.db2.gz NOMHLLAXQJCYCL-OCCSQVGLSA-N 1 0 253.317 2.280 10 0 CEAERO C[NH2+][C@H]1CCC2(C[C@H]1Oc1cc(C)ccc1F)OCCO2 ZINC000085554591 179093414 /nfs/dbraw/zinc/09/34/14/179093414.db2.gz RPYSNBXTOVGOAM-DZGCQCFKSA-N 1 0 295.354 2.397 10 0 CEAERO CCCc1nc2c(n1-c1cccc(OC)c1)CC[NH2+]C2 ZINC000085568095 179094857 /nfs/dbraw/zinc/09/48/57/179094857.db2.gz GOXDMDHTMSRTLX-UHFFFAOYSA-N 1 0 271.364 2.479 10 0 CEAERO CCCc1nc2c(n1[C@@H]1CCC[C@H]1OC)CC[NH2+]C2 ZINC000085570839 179095932 /nfs/dbraw/zinc/09/59/32/179095932.db2.gz IGSOHBIKKDXZQA-ZIAGYGMSSA-N 1 0 263.385 2.221 10 0 CEAERO CCc1nc2c(n1-c1c(F)cccc1F)CC[NH2+]C2 ZINC000085569560 179096121 /nfs/dbraw/zinc/09/61/21/179096121.db2.gz YETHHEJRTVRMCG-UHFFFAOYSA-N 1 0 263.291 2.359 10 0 CEAERO CCc1nc2c(n1CCc1cccc(F)c1)CC[NH2+]C2 ZINC000085570244 179096418 /nfs/dbraw/zinc/09/64/18/179096418.db2.gz PMVKRXKIUDCUCB-UHFFFAOYSA-N 1 0 273.355 2.473 10 0 CEAERO O[C@@H]1CCCC[C@@H]1n1c2c(nc1C(F)(F)F)C[NH2+]CC2 ZINC000085571311 179096870 /nfs/dbraw/zinc/09/68/70/179096870.db2.gz HMUHGBPSSGTHMI-WDEREUQCSA-N 1 0 289.301 2.024 10 0 CEAERO C[C@@H]1CC[NH2+][C@](C)(C2CC2)CN1Cc1cccnc1 ZINC000085623949 179106774 /nfs/dbraw/zinc/10/67/74/179106774.db2.gz IFZUEWFNKWXDSI-CJNGLKHVSA-N 1 0 259.397 2.434 10 0 CEAERO C[C@H]1CC[NH2+][C@@](C)(C2CC2)CN1Cc1ccccn1 ZINC000085623686 179106789 /nfs/dbraw/zinc/10/67/89/179106789.db2.gz MAHZFLRFMAHVOC-XJKSGUPXSA-N 1 0 259.397 2.434 10 0 CEAERO CCCc1nc2c(n1[C@@H](C)CCOC)CC[NH2+]C2 ZINC000085575263 179099165 /nfs/dbraw/zinc/09/91/65/179099165.db2.gz ZYTGFEGNCJVTGY-NSHDSACASA-N 1 0 251.374 2.079 10 0 CEAERO c1cn(CCn2c3c(nc2C2CCCC2)C[NH2+]CC3)cn1 ZINC000085607234 179101160 /nfs/dbraw/zinc/10/11/60/179101160.db2.gz MNBXZMNOTZRLOT-UHFFFAOYSA-N 1 0 285.395 2.083 10 0 CEAERO CC[C@@H](C)n1ccc(CN2CCC[NH2+]C(C)(C)C2)n1 ZINC000085611658 179102667 /nfs/dbraw/zinc/10/26/67/179102667.db2.gz HKLIGDDIYQIPRZ-CYBMUJFWSA-N 1 0 264.417 2.428 10 0 CEAERO Cc1nccn1CCN1CCC[NH2+][C@H](c2ccccc2)C1 ZINC000085610808 179103421 /nfs/dbraw/zinc/10/34/21/179103421.db2.gz BANCAYLEOUCFOH-KRWDZBQOSA-N 1 0 284.407 2.228 10 0 CEAERO COc1ccc(CN2CCC[NH2+][C@H](C3CC3)C2)cc1 ZINC000085616490 179103552 /nfs/dbraw/zinc/10/35/52/179103552.db2.gz ZPNBMDDGZAUWKU-INIZCTEOSA-N 1 0 260.381 2.269 10 0 CEAERO C[C@@]1(c2ccccc2)C[N@H+](C[C@@H]2CCCO2)CCCN1 ZINC000085615640 179103660 /nfs/dbraw/zinc/10/36/60/179103660.db2.gz PSOCMLCQXGDOAZ-IRXDYDNUSA-N 1 0 274.408 2.376 10 0 CEAERO CC(C)CCOCCN1CCC[NH2+][C@@H](C2CC2)C1 ZINC000085615950 179104416 /nfs/dbraw/zinc/10/44/16/179104416.db2.gz FCBUDTPWUKYJKU-OAHLLOKOSA-N 1 0 254.418 2.123 10 0 CEAERO c1ccc(OCCN2CCC[NH2+][C@H](C3CC3)C2)cc1 ZINC000085615957 179104814 /nfs/dbraw/zinc/10/48/14/179104814.db2.gz WZVVUSMUFTUXSK-INIZCTEOSA-N 1 0 260.381 2.139 10 0 CEAERO CC[C@@H](C)n1ccc(CN2CC[NH2+]CC[C@@H]2C)n1 ZINC000085622306 179105943 /nfs/dbraw/zinc/10/59/43/179105943.db2.gz HMBQNOLLHDAXGK-OLZOCXBDSA-N 1 0 250.390 2.038 10 0 CEAERO C[C@@H]1CC[NH2+][C@@H](c2ccccc2)CN1Cc1ncccn1 ZINC000085621348 179105985 /nfs/dbraw/zinc/10/59/85/179105985.db2.gz ARQHPFMRLZPNRY-GDBMZVCRSA-N 1 0 282.391 2.402 10 0 CEAERO COCCC[N@@H+]1C[C@@H](c2ccccc2)NCC[C@@H]1C ZINC000085621216 179106018 /nfs/dbraw/zinc/10/60/18/179106018.db2.gz BCDYTWAZJQPFHD-HOCLYGCPSA-N 1 0 262.397 2.448 10 0 CEAERO Cc1nn(C)c(C[C@@]2(C)CCC[NH2+]2)c1Br ZINC000085698079 179116752 /nfs/dbraw/zinc/11/67/52/179116752.db2.gz KVYPLJIFTVCVSQ-LLVKDONJSA-N 1 0 272.190 2.176 10 0 CEAERO CC(C)COCCC[NH2+][C@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000085630824 179108132 /nfs/dbraw/zinc/10/81/32/179108132.db2.gz GYDOXVDNWJZBFI-RDBSUJKOSA-N 1 0 255.402 2.452 10 0 CEAERO C[C@@H]([NH3+])[C@@H]1CCCN(c2nncc3ccccc32)C1 ZINC000111715901 136563632 /nfs/dbraw/zinc/56/36/32/136563632.db2.gz MYHAYZHFBKHQPZ-DGCLKSJQSA-N 1 0 256.353 2.193 10 0 CEAERO CN(C(=O)C[C@@H]1CC[NH2+]C1)[C@@H]1CCc2ccccc2C1 ZINC000129406107 365854105 /nfs/dbraw/zinc/85/41/05/365854105.db2.gz LYIIRFXNPZCUQQ-XJKSGUPXSA-N 1 0 272.392 2.002 10 0 CEAERO CN(C)C[C@@H]([NH3+])Cc1ccc(F)c(Br)c1 ZINC000085798100 179173357 /nfs/dbraw/zinc/17/33/57/179173357.db2.gz SBZUTQKVCAYFFA-VIFPVBQESA-N 1 0 275.165 2.020 10 0 CEAERO CCOC(=O)c1ncc(C[N@@H+]2CCC[C@@H]2CCCO)s1 ZINC000602772198 347192085 /nfs/dbraw/zinc/19/20/85/347192085.db2.gz PXNQWIUKMWHLRT-LLVKDONJSA-N 1 0 298.408 2.057 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)Cc1cccs1 ZINC000335593343 212306364 /nfs/dbraw/zinc/30/63/64/212306364.db2.gz DCOABMQZXZGJNN-ZYHUDNBSSA-N 1 0 252.383 2.095 10 0 CEAERO CCCn1c2ccc(F)cc2nc1[C@]1([NH3+])CCOC1 ZINC000085849524 179187247 /nfs/dbraw/zinc/18/72/47/179187247.db2.gz TXKCFNYZKBGJJR-AWEZNQCLSA-N 1 0 263.316 2.160 10 0 CEAERO CCCn1c2cc(F)ccc2nc1[C@@]1([NH3+])CCOC1 ZINC000085849928 179188269 /nfs/dbraw/zinc/18/82/69/179188269.db2.gz QLGZDUYHSUTJLP-CQSZACIVSA-N 1 0 263.316 2.160 10 0 CEAERO [NH3+][C@]1(C(=O)Nc2ccc(SC(F)F)cc2)CCOC1 ZINC000085870141 179192460 /nfs/dbraw/zinc/19/24/60/179192460.db2.gz HGKLPJVEAPJPBD-GFCCVEGCSA-N 1 0 288.319 2.058 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1CNC(=O)c1ccccc1F ZINC000085965011 179205605 /nfs/dbraw/zinc/20/56/05/179205605.db2.gz FQHMFZOPECITIO-GWCFXTLKSA-N 1 0 250.317 2.073 10 0 CEAERO Cc1ccc(CC(=O)NC[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000085968288 179206660 /nfs/dbraw/zinc/20/66/60/179206660.db2.gz OEOKVJOADOYLEQ-LSDHHAIUSA-N 1 0 260.381 2.171 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1CNC(=O)Nc1ccc(F)cc1 ZINC000085970207 179206917 /nfs/dbraw/zinc/20/69/17/179206917.db2.gz VSTAIDRLTVBLND-MFKMUULPSA-N 1 0 265.332 2.465 10 0 CEAERO C[C@@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000085975071 179208030 /nfs/dbraw/zinc/20/80/30/179208030.db2.gz OLGJXITWQUXVSA-GMXABZIVSA-N 1 0 289.379 2.058 10 0 CEAERO CCC(C)(C)c1ccc(OC[C@H]([NH3+])CCO)cc1 ZINC000085921323 179200160 /nfs/dbraw/zinc/20/01/60/179200160.db2.gz QGDHMPNZWUNPPJ-CYBMUJFWSA-N 1 0 251.370 2.463 10 0 CEAERO CCC[NH2+][C@H](CCO)CN(CC)CC(CC)CC ZINC000085922135 179200626 /nfs/dbraw/zinc/20/06/26/179200626.db2.gz QBHALGOHLCSBQB-OAHLLOKOSA-N 1 0 258.450 2.495 10 0 CEAERO C[NH2+][C@H](CCO)CN1CCC[C@H](C(C)(C)C)CC1 ZINC000085923217 179201020 /nfs/dbraw/zinc/20/10/20/179201020.db2.gz YMEPONSGNZQLCY-UONOGXRCSA-N 1 0 256.434 2.105 10 0 CEAERO C/C(=C\c1ccccc1)C[NH2+]C[C@@H](C)N1CCOCC1 ZINC000102420658 185776806 /nfs/dbraw/zinc/77/68/06/185776806.db2.gz ALJGOLDBZPIHNO-ASNKMWSDSA-N 1 0 274.408 2.400 10 0 CEAERO CCCc1ccc([C@@H]([NH2+]C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000086020567 179217803 /nfs/dbraw/zinc/21/78/03/179217803.db2.gz VIDCAWFXIZBAIH-HUUCEWRRSA-N 1 0 281.421 2.334 10 0 CEAERO CCC[NH2+][C@@H]1CC[C@@H](Sc2n[nH]c(=O)n2C(C)C)[C@@H]1C ZINC000086045597 179222828 /nfs/dbraw/zinc/22/28/28/179222828.db2.gz IIIRGCKCYKIAGG-IJLUTSLNSA-N 1 0 298.456 2.411 10 0 CEAERO CCC[NH2+][C@H]1CC[C@H](Sc2n[nH]c(=O)n2CCC)[C@@H]1C ZINC000086045555 179222980 /nfs/dbraw/zinc/22/29/80/179222980.db2.gz NFDCAPBQELIXMO-WOPDTQHZSA-N 1 0 298.456 2.240 10 0 CEAERO C[C@@H]1[C@@H](C)CC[C@@H]1NC(=O)c1cccc(CC[NH3+])c1 ZINC000086068848 179224111 /nfs/dbraw/zinc/22/41/11/179224111.db2.gz RUPOYTQLDLEJJM-ZOWXZIJZSA-N 1 0 260.381 2.352 10 0 CEAERO CCc1ccc([C@H]([NH2+]C)[C@H]2CCS(=O)(=O)C2)s1 ZINC000086020347 179218083 /nfs/dbraw/zinc/21/80/83/179218083.db2.gz YZHFNFZCKRBEKH-JOYOIKCWSA-N 1 0 273.423 2.006 10 0 CEAERO CCC[NH2+][C@H](Cc1ccsc1)[C@@H]1CCS(=O)(=O)C1 ZINC000086025574 179219326 /nfs/dbraw/zinc/21/93/26/179219326.db2.gz RNVDEBLJKFSZMK-CHWSQXEVSA-N 1 0 287.450 2.094 10 0 CEAERO COC1(OC)CC(C[NH3+])(c2ccc(F)cc2Cl)C1 ZINC000086035414 179221111 /nfs/dbraw/zinc/22/11/11/179221111.db2.gz NJRRRZYCGFNZNJ-UHFFFAOYSA-N 1 0 273.735 2.459 10 0 CEAERO COC1(OC)CC(C[NH3+])(c2cccc(Cl)c2)C1 ZINC000086035202 179221603 /nfs/dbraw/zinc/22/16/03/179221603.db2.gz WZRMCVGXMQRICE-UHFFFAOYSA-N 1 0 255.745 2.319 10 0 CEAERO CC[C@H]1CC[C@@H]([NH2+]CC(=O)N(CC)C2CC2)[C@@H]1C ZINC000086096291 179229682 /nfs/dbraw/zinc/22/96/82/179229682.db2.gz YEZBIWMLYHGRMP-MBNYWOFBSA-N 1 0 252.402 2.412 10 0 CEAERO COc1ccc(CCN2CC[NH2+][C@@](C)(C3CC3)C2)cc1 ZINC000086122944 179235934 /nfs/dbraw/zinc/23/59/34/179235934.db2.gz VWWJVKQYFQEEDJ-QGZVFWFLSA-N 1 0 274.408 2.312 10 0 CEAERO CCC[C@H](C)NC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000605011184 347439237 /nfs/dbraw/zinc/43/92/37/347439237.db2.gz YYRXVIDQWXKWGN-MELADBBJSA-N 1 0 267.417 2.443 10 0 CEAERO Cc1ncc(CN2CC[NH2+][C@@](C)(C3CC3)C2)s1 ZINC000086144141 179237256 /nfs/dbraw/zinc/23/72/56/179237256.db2.gz ZVPHUIRHRYLDOG-CYBMUJFWSA-N 1 0 251.399 2.025 10 0 CEAERO C[C@@H]1CC[C@H](NC(=O)CC2CCC([NH3+])CC2)[C@@H]1C ZINC000086082260 179228422 /nfs/dbraw/zinc/22/84/22/179228422.db2.gz DZXUFRAUCHROCY-AYZDXNEBSA-N 1 0 252.402 2.445 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(Cc2scnc2C)CC[NH2+]1 ZINC000086149021 179239905 /nfs/dbraw/zinc/23/99/05/179239905.db2.gz LFPIALJXXNUOEU-PWSUYJOCSA-N 1 0 253.415 2.271 10 0 CEAERO COc1ccc(CN2CC[NH2+][C@@H](C3CCCCC3)C2)cn1 ZINC000086148618 179239945 /nfs/dbraw/zinc/23/99/45/179239945.db2.gz GWPCBBHTXUULRD-MRXNPFEDSA-N 1 0 289.423 2.444 10 0 CEAERO CO[C@H]1CCC[C@@H]1N1CC[NH2+][C@H](C2CCCCC2)C1 ZINC000086146827 179240009 /nfs/dbraw/zinc/24/00/09/179240009.db2.gz NPMVMBPKXFRUSC-JYJNAYRXSA-N 1 0 266.429 2.408 10 0 CEAERO CC[C@@H](C)[C@@H]1C[N@H+]([C@@H](C)COC)[C@H](C(C)C)CN1 ZINC000086151858 179240708 /nfs/dbraw/zinc/24/07/08/179240708.db2.gz OOEQSOLEPZJZOA-QPSCCSFWSA-N 1 0 256.434 2.366 10 0 CEAERO c1nc(CCN2CC[NH2+][C@H](Cc3ccccc3)C2)cs1 ZINC000086149471 179240930 /nfs/dbraw/zinc/24/09/30/179240930.db2.gz LPNKWBGPRYRGHV-MRXNPFEDSA-N 1 0 287.432 2.202 10 0 CEAERO C[C@@H]1CN[C@@H](Cc2ccccc2)C[N@@H+]1CC[C@@H]1CCCO1 ZINC000086173637 179244314 /nfs/dbraw/zinc/24/43/14/179244314.db2.gz NECOLGOSGGXVCD-NJAFHUGGSA-N 1 0 288.435 2.461 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@H](C)CN1C[C@@H]1Cc2ccccc2O1 ZINC000086174475 179245626 /nfs/dbraw/zinc/24/56/26/179245626.db2.gz BRTOYAYYHVGMHD-KBMXLJTQSA-N 1 0 274.408 2.308 10 0 CEAERO CSCCCN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000086177884 179246162 /nfs/dbraw/zinc/24/61/62/179246162.db2.gz VSEGBCOJEOCURP-CQSZACIVSA-N 1 0 250.411 2.386 10 0 CEAERO COC[C@H](C)C[N@@H+]1CCN[C@@](C)(c2ccccc2)C1 ZINC000086146666 179239098 /nfs/dbraw/zinc/23/90/98/179239098.db2.gz QFOULQHNZAKXQC-GDBMZVCRSA-N 1 0 262.397 2.090 10 0 CEAERO c1ccc([C@H]2C[N@H+](C[C@@H]3CCCOC3)CCN2)cc1 ZINC000086146264 179239164 /nfs/dbraw/zinc/23/91/64/179239164.db2.gz FOVXREXTQJUEAP-GOEBONIOSA-N 1 0 260.381 2.060 10 0 CEAERO CCOC[C@@H](C)N1CC[NH2+][C@H](C2CCCCC2)C1 ZINC000086146021 179239211 /nfs/dbraw/zinc/23/92/11/179239211.db2.gz BNYJVDOHPXDQNX-HIFRSBDPSA-N 1 0 254.418 2.266 10 0 CEAERO CCn1cc(N2CC(CC)(CC)[NH2+]C[C@H]2C)cn1 ZINC000086218540 179249661 /nfs/dbraw/zinc/24/96/61/179249661.db2.gz ISXXEQXEFVUDBA-GFCCVEGCSA-N 1 0 250.390 2.260 10 0 CEAERO CC[C@@]1(C)CN(c2cnn(C)c2)[C@H](C(C)C)C[NH2+]1 ZINC000086218287 179249704 /nfs/dbraw/zinc/24/97/04/179249704.db2.gz WPYWGAMPHKLSSL-KBPBESRZSA-N 1 0 250.390 2.023 10 0 CEAERO CC[C@]1(C)CN(c2cnn(C)c2)[C@H](C(C)C)C[NH2+]1 ZINC000086218286 179249875 /nfs/dbraw/zinc/24/98/75/179249875.db2.gz WPYWGAMPHKLSSL-UONOGXRCSA-N 1 0 250.390 2.023 10 0 CEAERO C[C@H]1C[NH2+][C@@](C)(C2CC2)CN1CCc1ccncc1 ZINC000086223305 179251895 /nfs/dbraw/zinc/25/18/95/179251895.db2.gz OWGQUHUEIHMTLE-XJKSGUPXSA-N 1 0 259.397 2.087 10 0 CEAERO CC[C@@H]1C[NH2+]C(C)(C)CN1Cc1csc(C)n1 ZINC000086226998 179252849 /nfs/dbraw/zinc/25/28/49/179252849.db2.gz MRSSDRLTHSTZDD-GFCCVEGCSA-N 1 0 253.415 2.414 10 0 CEAERO CC[C@@H]1C[NH2+]C2(CCCC2)CN1Cc1cc(C)on1 ZINC000086259827 179259031 /nfs/dbraw/zinc/25/90/31/179259031.db2.gz HSCFBRQUBHYEJP-CQSZACIVSA-N 1 0 263.385 2.480 10 0 CEAERO CC[C@@]1(C)CN(Cc2ccnc(C)n2)[C@H](C(C)C)C[NH2+]1 ZINC000086260192 179259050 /nfs/dbraw/zinc/25/90/50/179259050.db2.gz TUTIWRIHMOAOAJ-HOTGVXAUSA-N 1 0 276.428 2.384 10 0 CEAERO CC[C@H]1C[NH2+][C@](C)(CC)CN1Cc1cc(C)on1 ZINC000086259816 179259172 /nfs/dbraw/zinc/25/91/72/179259172.db2.gz YXZABQNOJVDKPM-UONOGXRCSA-N 1 0 251.374 2.336 10 0 CEAERO Cc1cc(CN2CC(C)(C)[NH2+]C[C@@H]2C(C)C)no1 ZINC000086259803 179259249 /nfs/dbraw/zinc/25/92/49/179259249.db2.gz UJEOJNSIDVJCTL-CYBMUJFWSA-N 1 0 251.374 2.191 10 0 CEAERO C[C@H]1CN[C@H](C(C)(C)C)C[N@@H+]1C[C@@H]1CCCOC1 ZINC000086260148 179259584 /nfs/dbraw/zinc/25/95/84/179259584.db2.gz QGANAGBUPUYCCN-IHRRRGAJSA-N 1 0 254.418 2.121 10 0 CEAERO C[C@H]1C[NH2+][C@H](C2CC2)CN1C[C@@H]1Cc2ccccc2O1 ZINC000086261708 179260219 /nfs/dbraw/zinc/26/02/19/179260219.db2.gz XEGNWGUZDQMXGL-RCBQFDQVSA-N 1 0 272.392 2.062 10 0 CEAERO CC(C)[C@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1nccn1C ZINC000086264796 179260909 /nfs/dbraw/zinc/26/09/09/179260909.db2.gz SZNFMPJFSMRQBV-GDBMZVCRSA-N 1 0 276.428 2.019 10 0 CEAERO CC[C@H]1C[NH2+][C@H](CC(C)C)CN1Cc1nccn1C ZINC000086264880 179261060 /nfs/dbraw/zinc/26/10/60/179261060.db2.gz HUULTARFJNKPAN-KGLIPLIRSA-N 1 0 264.417 2.019 10 0 CEAERO CC[C@H]1C[NH2+]C(C)(C)CN1CCc1nc(C)cs1 ZINC000086264262 179261416 /nfs/dbraw/zinc/26/14/16/179261416.db2.gz AETYKJYVKZXJBW-LBPRGKRZSA-N 1 0 267.442 2.456 10 0 CEAERO CC[C@H]1CNC2(CCCC2)C[N@@H+]1[C@@H](C)CCOC ZINC000086268126 179262398 /nfs/dbraw/zinc/26/23/98/179262398.db2.gz LUDHBGIJOIPOAT-KBPBESRZSA-N 1 0 254.418 2.408 10 0 CEAERO CCn1cc(N2CCC[NH2+][C@@H](Cc3ccccc3)C2)cn1 ZINC000086287181 179264112 /nfs/dbraw/zinc/26/41/12/179264112.db2.gz HIWDBVISQZKZOK-INIZCTEOSA-N 1 0 284.407 2.314 10 0 CEAERO CCn1cc(N2CCC[NH2+]C3(CCCCC3)C2)cn1 ZINC000086287179 179264653 /nfs/dbraw/zinc/26/46/53/179264653.db2.gz SXWLCIFJOVUXLQ-UHFFFAOYSA-N 1 0 262.401 2.406 10 0 CEAERO c1ccc(C[C@H]2C[N@@H+](C3CCOCC3)CCCN2)cc1 ZINC000086287264 179264985 /nfs/dbraw/zinc/26/49/85/179264985.db2.gz ZKLDTHGOVHVBJF-INIZCTEOSA-N 1 0 274.408 2.072 10 0 CEAERO CC(C)[C@@H](C[NH3+])Nc1nc(Br)cs1 ZINC000086290988 179265552 /nfs/dbraw/zinc/26/55/52/179265552.db2.gz JUMJVZPTTUTAMM-ZCFIWIBFSA-N 1 0 264.192 2.301 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(c2nc(Br)cs2)C1 ZINC000086291392 179265714 /nfs/dbraw/zinc/26/57/14/179265714.db2.gz CGLRIFWRGXYJEA-MRVPVSSYSA-N 1 0 290.230 2.436 10 0 CEAERO Cc1csc(CCN2CCC[NH2+][C@](C)(C3CC3)C2)n1 ZINC000086296785 179267358 /nfs/dbraw/zinc/26/73/58/179267358.db2.gz JZXGQIDBIWAFQB-HNNXBMFYSA-N 1 0 279.453 2.458 10 0 CEAERO COc1ccc(CN2CCC[NH2+][C@@H](C(C)(C)C)C2)cn1 ZINC000086296436 179267749 /nfs/dbraw/zinc/26/77/49/179267749.db2.gz IOCCIFBNHBZOGA-CQSZACIVSA-N 1 0 277.412 2.300 10 0 CEAERO Cc1ccc(CN2CCC[NH2+][C@@](C)(C3CC3)C2)cn1 ZINC000086296261 179268223 /nfs/dbraw/zinc/26/82/23/179268223.db2.gz OTGJUBKMNQMCET-MRXNPFEDSA-N 1 0 259.397 2.354 10 0 CEAERO Cc1nn([C@@H](C)[C@@H](C)C[NH3+])c(C)c1Br ZINC000086312852 179269094 /nfs/dbraw/zinc/26/90/94/179269094.db2.gz CDHHYAWMRDZYII-XPUUQOCRSA-N 1 0 260.179 2.418 10 0 CEAERO COc1ccccc1C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000128612174 187380067 /nfs/dbraw/zinc/38/00/67/187380067.db2.gz PRAKQNWBGTWGRP-CQSZACIVSA-N 1 0 286.379 2.199 10 0 CEAERO [NH3+][C@H]1CC[C@@H](Oc2ccc(Br)cn2)C1 ZINC000086408104 179286001 /nfs/dbraw/zinc/28/60/01/179286001.db2.gz KXZSBZUNABXUTK-DTWKUNHWSA-N 1 0 257.131 2.103 10 0 CEAERO [NH3+][C@H]1CCC[C@@H](Oc2ccc(Br)cn2)C1 ZINC000086408904 179286132 /nfs/dbraw/zinc/28/61/32/179286132.db2.gz VRPJQASCCGYDNT-VHSXEESVSA-N 1 0 271.158 2.493 10 0 CEAERO C[NH2+][C@H]1CCCc2sc(N(C)[C@@H](C)COC)nc21 ZINC000086443271 179293880 /nfs/dbraw/zinc/29/38/80/179293880.db2.gz BXXWHYYBVNVVBB-UWVGGRQHSA-N 1 0 269.414 2.211 10 0 CEAERO CC[C@@H]1CN(Cc2ccc(C(=O)OC)cc2)[C@@H](CC)C[NH2+]1 ZINC000086445571 179294605 /nfs/dbraw/zinc/29/46/05/179294605.db2.gz DHKIKTAIFDGFHV-CVEARBPZSA-N 1 0 290.407 2.436 10 0 CEAERO CC[C@@H]1CN(C(=O)c2n[nH]c3ccccc32)[C@@H](CC)C[NH2+]1 ZINC000086446314 179295133 /nfs/dbraw/zinc/29/51/33/179295133.db2.gz XWWIRKGPNZOBBR-NEPJUHHUSA-N 1 0 286.379 2.166 10 0 CEAERO CC[C@@H]1CN(C(=O)/C=C/c2ccco2)[C@@H](CC)C[NH2+]1 ZINC000086446960 179295371 /nfs/dbraw/zinc/29/53/71/179295371.db2.gz MEZMYNRVPAQUAU-NAISLTENSA-N 1 0 262.353 2.282 10 0 CEAERO C[C@]([NH3+])(c1nc([C@@H]2Cc3ccccc32)no1)C1CC1 ZINC000086486399 179301762 /nfs/dbraw/zinc/30/17/62/179301762.db2.gz SQCFOGXSGLWXJN-IUODEOHRSA-N 1 0 255.321 2.342 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1c1nc([C@@H]2Cc3ccccc32)no1 ZINC000086486466 179301805 /nfs/dbraw/zinc/30/18/05/179301805.db2.gz WMZBPKFUDNRBLR-OASPWFOLSA-N 1 0 255.321 2.081 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1)c1cccnc1 ZINC000086485712 179301837 /nfs/dbraw/zinc/30/18/37/179301837.db2.gz SGIMWXHFNUNEQW-BNOWGMLFSA-N 1 0 282.409 2.088 10 0 CEAERO CC[NH2+][C@@H](CCCS(C)(=O)=O)[C@H]1Cc2ccccc21 ZINC000086489530 179302659 /nfs/dbraw/zinc/30/26/59/179302659.db2.gz NEKUXURYOAIPIP-GJZGRUSLSA-N 1 0 281.421 2.129 10 0 CEAERO C[C@H]([NH2+]CC(C)(C)S(C)(=O)=O)c1ccsc1 ZINC000086503306 179302909 /nfs/dbraw/zinc/30/29/09/179302909.db2.gz MYCJEKSUIATQKS-VIFPVBQESA-N 1 0 261.412 2.222 10 0 CEAERO COC(OC)[C@H]([NH3+])Cc1cc(Cl)ccc1Cl ZINC000086451793 179296387 /nfs/dbraw/zinc/29/63/87/179296387.db2.gz INUWDQWMHRXENX-SNVBAGLBSA-N 1 0 264.152 2.482 10 0 CEAERO C[NH2+][C@H](Cc1sccc1Br)C(OC)OC ZINC000086452089 179296414 /nfs/dbraw/zinc/29/64/14/179296414.db2.gz YEBBUEHZQBOEJH-MRVPVSSYSA-N 1 0 294.214 2.260 10 0 CEAERO CC[C@H]1CN(Cc2nc(C(C)C)no2)[C@@H](CC)C[NH2+]1 ZINC000086464212 179296605 /nfs/dbraw/zinc/29/66/05/179296605.db2.gz CEYVGUWBEAELBZ-RYUDHWBXSA-N 1 0 266.389 2.155 10 0 CEAERO CC[C@@H]1CN(CC(=O)Nc2ccc(F)cc2)[C@@H](CC)C[NH2+]1 ZINC000086465432 179297133 /nfs/dbraw/zinc/29/71/33/179297133.db2.gz TWLVGKJPOBCAIJ-HIFRSBDPSA-N 1 0 293.386 2.227 10 0 CEAERO CC[C@H]1CN(Cc2cc(C(=O)OC)c(C)o2)[C@@H](CC)C[NH2+]1 ZINC000086464852 179297228 /nfs/dbraw/zinc/29/72/28/179297228.db2.gz DAWFKZOSZDEEAY-STQMWFEESA-N 1 0 294.395 2.337 10 0 CEAERO C[C@@H]1CN(Cc2ccc(O)c(Cl)c2)[C@@H](C)C[NH2+]1 ZINC000086466763 179297403 /nfs/dbraw/zinc/29/74/03/179297403.db2.gz XOUAWBKSVUTLRW-ZJUUUORDSA-N 1 0 254.761 2.228 10 0 CEAERO Cc1cccc(-c2nnc(CN3C[C@@H](C)[NH2+]C[C@@H]3C)o2)c1 ZINC000086470416 179299741 /nfs/dbraw/zinc/29/97/41/179299741.db2.gz PGCSBPCDHQYCDK-OLZOCXBDSA-N 1 0 286.379 2.227 10 0 CEAERO C[NH2+][C@H](CN(C)C)c1cscc1Br ZINC000086555970 179307303 /nfs/dbraw/zinc/30/73/03/179307303.db2.gz ZZXDSFSUWYFVPJ-SECBINFHSA-N 1 0 263.204 2.333 10 0 CEAERO CC(C)(C)C1CCC([NH3+])([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000086566837 179307634 /nfs/dbraw/zinc/30/76/34/179307634.db2.gz QYXKINYXMJHQMQ-MBHSVXNSSA-N 1 0 273.442 2.355 10 0 CEAERO COCC[NH2+]CCc1cscc1Br ZINC000086556900 179307766 /nfs/dbraw/zinc/30/77/66/179307766.db2.gz KJWGLICAVWNXBP-UHFFFAOYSA-N 1 0 264.188 2.289 10 0 CEAERO [NH3+][C@H](Cc1ccccc1)[C@H]1CS(=O)(=O)c2ccccc21 ZINC000086567207 179308099 /nfs/dbraw/zinc/30/80/99/179308099.db2.gz TXDPBCMXCOIZQO-LSDHHAIUSA-N 1 0 287.384 2.128 10 0 CEAERO COc1ccc(C[C@@H]([NH3+])[C@H](C)OC)cc1Br ZINC000086576504 179308771 /nfs/dbraw/zinc/30/87/71/179308771.db2.gz XUXFCCNIDJNHPC-GZMMTYOYSA-N 1 0 288.185 2.362 10 0 CEAERO COc1ccc([C@H](C[NH3+])N(C)C[C@@H]2CCCO2)cc1Cl ZINC000086586611 179309859 /nfs/dbraw/zinc/30/98/59/179309859.db2.gz QMKPERRSLZLGSU-JSGCOSHPSA-N 1 0 298.814 2.459 10 0 CEAERO CC[C@H]1CN([C@@H](C[NH3+])c2ccc(OC)c(Cl)c2)CCO1 ZINC000086586493 179310003 /nfs/dbraw/zinc/31/00/03/179310003.db2.gz HJTSRRSTMZOWHI-JSGCOSHPSA-N 1 0 298.814 2.459 10 0 CEAERO CCOC(=O)CC[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC000086585873 179310094 /nfs/dbraw/zinc/31/00/94/179310094.db2.gz RHBRKKMXETUOGR-UHFFFAOYSA-N 1 0 271.744 2.391 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1CCS(=O)(=O)c1cccs1 ZINC000086548450 179307008 /nfs/dbraw/zinc/30/70/08/179307008.db2.gz QDGDAJMIFRRKFU-NXEZZACHSA-N 1 0 259.396 2.039 10 0 CEAERO COC(=O)[C@@]1([NH3+])CC[C@H](Sc2cccs2)C1 ZINC000086629762 179314173 /nfs/dbraw/zinc/31/41/73/179314173.db2.gz RNFBSVLJTXYMSR-GZMMTYOYSA-N 1 0 257.380 2.263 10 0 CEAERO C[C@@H]1C[NH+]=C(NC[C@@H]2Cc3ccccc3O2)SC1 ZINC000086633264 179314928 /nfs/dbraw/zinc/31/49/28/179314928.db2.gz SWGRLZVZUDDNCO-PWSUYJOCSA-N 1 0 262.378 2.319 10 0 CEAERO COc1ccc([C@@H]2C[NH2+]C[C@H](C)CO2)cc1OC ZINC000086633719 179315210 /nfs/dbraw/zinc/31/52/10/179315210.db2.gz JOULQLPHHPIFEP-HZMBPMFUSA-N 1 0 251.326 2.001 10 0 CEAERO C[N@@H+]1CC[C@](O)(Cc2cc(F)cc(Br)c2)C1 ZINC000086695457 179320914 /nfs/dbraw/zinc/32/09/14/179320914.db2.gz LPKJQGHVXBWIBL-LBPRGKRZSA-N 1 0 288.160 2.197 10 0 CEAERO COC[C@@H]([NH2+]C[C@@H](O)COC1CCC(C)CC1)C(C)C ZINC000086700326 179321672 /nfs/dbraw/zinc/32/16/72/179321672.db2.gz WTHJEBCBCSZPEF-GYTBAZASSA-N 1 0 287.444 2.203 10 0 CEAERO Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2S(C)(=O)=O)cc1 ZINC000086670698 179317033 /nfs/dbraw/zinc/31/70/33/179317033.db2.gz HRDDXSZCZAOLHD-ZIAGYGMSSA-N 1 0 267.394 2.050 10 0 CEAERO CS(=O)(=O)[C@H]1CCC[C@@H]1[NH2+]C1CCCCCC1 ZINC000086671047 179317896 /nfs/dbraw/zinc/31/78/96/179317896.db2.gz UUBJBOCMMPNYQB-STQMWFEESA-N 1 0 259.415 2.265 10 0 CEAERO CCC(CC)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1S(C)(=O)=O ZINC000086676121 179319512 /nfs/dbraw/zinc/31/95/12/179319512.db2.gz YVJYDWHWYYYYDE-UHTWSYAYSA-N 1 0 261.431 2.366 10 0 CEAERO CCN1CC[C@H]([NH2+][C@H](C)c2ccc(OC)cc2OC)C1 ZINC000336897080 365940203 /nfs/dbraw/zinc/94/02/03/365940203.db2.gz OQTFJDOQTWJATB-OLZOCXBDSA-N 1 0 278.396 2.449 10 0 CEAERO C[C@@H]1CC[C@H](C(=O)Nc2cccc(C[NH+](C)C)c2)O1 ZINC000130421550 365953820 /nfs/dbraw/zinc/95/38/20/365953820.db2.gz QAPXZIURLQOCNQ-BXUZGUMPSA-N 1 0 262.353 2.254 10 0 CEAERO C[C@@H]1CCC[C@@H]([N@H+](C)Cc2c[nH]c(=NN)s2)C1 ZINC000086767518 179325776 /nfs/dbraw/zinc/32/57/76/179325776.db2.gz QZWAVAKLXLGLQZ-NXEZZACHSA-N 1 0 254.403 2.439 10 0 CEAERO C[C@H](O[C@@]1(C[NH3+])CCC[C@@H](C)C1)C(=O)NCc1ccco1 ZINC000086712623 179322704 /nfs/dbraw/zinc/32/27/04/179322704.db2.gz GGRDKNHHGIYKFC-WWGRRREGSA-N 1 0 294.395 2.209 10 0 CEAERO CCCNC(=O)[C@H](C)OC1(C[NH3+])CCC(CC)CC1 ZINC000086713140 179322798 /nfs/dbraw/zinc/32/27/98/179322798.db2.gz MCXPUXUDRQNRQO-OPFPJEHXSA-N 1 0 270.417 2.215 10 0 CEAERO CC(C)C1CCC(C[NH3+])(OC[C@@H](O)C(F)(F)F)CC1 ZINC000086713618 179322876 /nfs/dbraw/zinc/32/28/76/179322876.db2.gz JWEJQENGRHGLQI-MOENNCHZSA-N 1 0 283.334 2.470 10 0 CEAERO CC(C)[NH+]1CCC([N@@H+]2CCC[C@@](C)(C(=O)[O-])C2)CC1 ZINC000086783632 179332326 /nfs/dbraw/zinc/33/23/26/179332326.db2.gz DYKCOKVINYLEOX-OAHLLOKOSA-N 1 0 268.401 2.046 10 0 CEAERO CC(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000086787781 179333239 /nfs/dbraw/zinc/33/32/39/179333239.db2.gz KLVQGPXCPTUUAG-TZMCWYRMSA-N 1 0 268.401 2.092 10 0 CEAERO CCNC(=O)Cc1ccc(N[C@@H]2CCC[N@H+](C)CC2)cc1 ZINC000086818379 179347604 /nfs/dbraw/zinc/34/76/04/179347604.db2.gz IAELVPCDLQFMBO-OAHLLOKOSA-N 1 0 289.423 2.261 10 0 CEAERO COC(=O)[C@@]1(Nc2ccc(C)cc2)CCC[N@H+](C)CC1 ZINC000086819801 179348081 /nfs/dbraw/zinc/34/80/81/179348081.db2.gz RVLGGHMFRXWWDP-MRXNPFEDSA-N 1 0 276.380 2.434 10 0 CEAERO CCC[NH+]1CCC([N@@H+]2CCC[C@@H](CCC(=O)[O-])C2)CC1 ZINC000086809490 179340285 /nfs/dbraw/zinc/34/02/85/179340285.db2.gz AWRZQIPOKNTOFH-AWEZNQCLSA-N 1 0 282.428 2.438 10 0 CEAERO C[N@@H+]1CCC[C@H]([NH+]2CCC(CCC(=O)[O-])CC2)CC1 ZINC000086834517 179350682 /nfs/dbraw/zinc/35/06/82/179350682.db2.gz SGNNENUGLJBSJH-AWEZNQCLSA-N 1 0 268.401 2.048 10 0 CEAERO CC[N@@H+]1CCC[C@H](Nc2ccc3oc(=O)[nH]c3c2)CC1 ZINC000086840009 179351201 /nfs/dbraw/zinc/35/12/01/179351201.db2.gz BYABLHUHAJDJHH-NSHDSACASA-N 1 0 275.352 2.407 10 0 CEAERO Cc1cc(CN[C@H]2CCC[N@@H+](C(C)C)CC2)on1 ZINC000086843571 179352500 /nfs/dbraw/zinc/35/25/00/179352500.db2.gz CONCJZBVRIRATD-ZDUSSCGKSA-N 1 0 251.374 2.336 10 0 CEAERO Cc1cc(CN[C@H]2CCC[N@@H+](C(C)C)CC2)no1 ZINC000086843472 179353254 /nfs/dbraw/zinc/35/32/54/179353254.db2.gz YLATYBMMUQSEOU-ZDUSSCGKSA-N 1 0 251.374 2.336 10 0 CEAERO CCC[N@@H+]1CCC[C@@](N)(c2noc(C(C)C)n2)CC1 ZINC000086851756 179359515 /nfs/dbraw/zinc/35/95/15/179359515.db2.gz DNVRYMPAVISMMV-AWEZNQCLSA-N 1 0 266.389 2.243 10 0 CEAERO CCCn1cc([C@@]2(O)CCC[N@H+](CCC)CC2)cn1 ZINC000086852839 179359530 /nfs/dbraw/zinc/35/95/30/179359530.db2.gz QXYCXNPNRLVNJW-OAHLLOKOSA-N 1 0 265.401 2.377 10 0 CEAERO CC(C)c1nc([C@@]2(N)CCC[N@@H+](C(C)C)CC2)no1 ZINC000086851751 179359845 /nfs/dbraw/zinc/35/98/45/179359845.db2.gz QXFWRCCFDLBXCM-CQSZACIVSA-N 1 0 266.389 2.241 10 0 CEAERO CC[N@@H+]1CCC[C@](CO)(Nc2ccc(F)cc2)CC1 ZINC000086868023 179360287 /nfs/dbraw/zinc/36/02/87/179360287.db2.gz MMAKADPFLXVNTE-HNNXBMFYSA-N 1 0 266.360 2.475 10 0 CEAERO CCC[N@@H+]1CCC[C@@](CC(=O)[O-])([NH+](CC)CC)CC1 ZINC000086868497 179360523 /nfs/dbraw/zinc/36/05/23/179360523.db2.gz WBHGZILFZWXXDJ-OAHLLOKOSA-N 1 0 270.417 2.438 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCCOCC1)c1ccc(NC(N)=O)cc1 ZINC000086873199 179364953 /nfs/dbraw/zinc/36/49/53/179364953.db2.gz BSHJURAGRXAUQX-DGCLKSJQSA-N 1 0 277.368 2.397 10 0 CEAERO CC(C)[N@@H+]1CCC[C@@](O)(c2cc(Cl)cnc2N)CC1 ZINC000086867748 179361044 /nfs/dbraw/zinc/36/10/44/179361044.db2.gz NWYORIBBYVZOKB-AWEZNQCLSA-N 1 0 283.803 2.399 10 0 CEAERO CCC[N@@H+]1CCC[C@@](C(=O)[O-])([NH+](CC)CC)CC1 ZINC000086867807 179361048 /nfs/dbraw/zinc/36/10/48/179361048.db2.gz UOWDULIOZPBLNZ-CQSZACIVSA-N 1 0 256.390 2.048 10 0 CEAERO CC[N@@H+]1CCC[C@H]([NH+]2CCC[C@@](C)(C(=O)[O-])C2)CC1 ZINC000086869130 179361733 /nfs/dbraw/zinc/36/17/33/179361733.db2.gz VMJLWWZEZOGMFG-DZGCQCFKSA-N 1 0 268.401 2.048 10 0 CEAERO CC(C)[N@@H+]1CCC[C@@H]([NH+]2CCC(C(=O)[O-])CC2)CC1 ZINC000086868585 179362630 /nfs/dbraw/zinc/36/26/30/179362630.db2.gz RQHSTKNHSMITQO-CQSZACIVSA-N 1 0 268.401 2.046 10 0 CEAERO CC[N@H+](CCC(=O)[O-])[C@H]1CCC[NH+](C(C)C)CC1 ZINC000086868861 179362712 /nfs/dbraw/zinc/36/27/12/179362712.db2.gz OQGHWKLZNYBDFN-ZDUSSCGKSA-N 1 0 256.390 2.046 10 0 CEAERO CCC[N@@H+]1CCC[C@@H]([NH+](CC)[C@@H](C)CC(=O)[O-])CC1 ZINC000086868972 179362890 /nfs/dbraw/zinc/36/28/90/179362890.db2.gz QGMVENKPAOZOBJ-UONOGXRCSA-N 1 0 270.417 2.436 10 0 CEAERO Cc1cccc(CN(C)[C@]2(C[NH3+])CCCOCC2)c1 ZINC000086875071 179364687 /nfs/dbraw/zinc/36/46/87/179364687.db2.gz DVGJDSBVTCAIEJ-MRXNPFEDSA-N 1 0 262.397 2.325 10 0 CEAERO CC[N@@H+]1CCC[C@](NCc2cccs2)(C(=O)OC)CC1 ZINC000086850317 179358150 /nfs/dbraw/zinc/35/81/50/179358150.db2.gz XWZKYDFMEPNDQW-OAHLLOKOSA-N 1 0 296.436 2.255 10 0 CEAERO CC[N@@H+]1CCC[C@](Nc2ccccc2C)(C(N)=O)CC1 ZINC000086849328 179358304 /nfs/dbraw/zinc/35/83/04/179358304.db2.gz INUVFRZAOXYBLP-MRXNPFEDSA-N 1 0 275.396 2.137 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH3+])c1cc(F)c(F)c(F)c1 ZINC000086979108 179372647 /nfs/dbraw/zinc/37/26/47/179372647.db2.gz OLIPOXQCEOATPN-LLVKDONJSA-N 1 0 295.326 2.319 10 0 CEAERO CCC[NH2+][C@H](CCCS(=O)(=O)CC)c1ccccn1 ZINC000086978746 179372777 /nfs/dbraw/zinc/37/27/77/179372777.db2.gz UGEVATAAZVRVOD-CQSZACIVSA-N 1 0 284.425 2.337 10 0 CEAERO CCS(=O)(=O)CCC[C@@H](C[NH3+])Cc1ccccc1F ZINC000086980713 179373126 /nfs/dbraw/zinc/37/31/26/179373126.db2.gz GMIPQNLSEHWLIT-GFCCVEGCSA-N 1 0 287.400 2.158 10 0 CEAERO CCn1ccnc1[C@@H]([NH2+]C)[C@H]1CSCCS1 ZINC000086984938 179374076 /nfs/dbraw/zinc/37/40/76/179374076.db2.gz ABKQEHLXULYSLG-ZJUUUORDSA-N 1 0 257.428 2.012 10 0 CEAERO CC[C@H]([NH3+])Cc1ccc(OCCCS(=O)(=O)CC)cc1 ZINC000086980011 179373271 /nfs/dbraw/zinc/37/32/71/179373271.db2.gz CPKOUDBUDWOPHS-AWEZNQCLSA-N 1 0 299.436 2.170 10 0 CEAERO CCS(=O)(=O)CCC[C@@]1(C[NH3+])CCCc2ccccc21 ZINC000086980980 179373326 /nfs/dbraw/zinc/37/33/26/179373326.db2.gz YJVYCNQGFLNNDZ-MRXNPFEDSA-N 1 0 295.448 2.434 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH2+]C)c1ccc(F)cc1F ZINC000086979535 179373409 /nfs/dbraw/zinc/37/34/09/179373409.db2.gz KBSLRXYGKDWRAG-CYBMUJFWSA-N 1 0 291.363 2.440 10 0 CEAERO CC[C@H](C[NH3+])c1nc([C@@H]2CSCCS2)no1 ZINC000086981547 179373429 /nfs/dbraw/zinc/37/34/29/179373429.db2.gz CRDKSONOIVNULI-SFYZADRCSA-N 1 0 259.400 2.043 10 0 CEAERO CC[NH2+][C@H](CCCS(=O)(=O)CC)COc1ccccc1 ZINC000086979381 179373460 /nfs/dbraw/zinc/37/34/60/179373460.db2.gz JTPNQYPWHRVKQV-CQSZACIVSA-N 1 0 299.436 2.258 10 0 CEAERO COc1ccccc1N(C)[C@@]1(C[NH3+])CCCOCC1 ZINC000086875528 179365236 /nfs/dbraw/zinc/36/52/36/179365236.db2.gz IQTSJVZDNVXJES-HNNXBMFYSA-N 1 0 264.369 2.029 10 0 CEAERO COCC[NH2+][C@@]1(c2nc3c(s2)CCC3)CCCOCC1 ZINC000086877117 179365646 /nfs/dbraw/zinc/36/56/46/179365646.db2.gz BIDSVDHVNIUIDM-HNNXBMFYSA-N 1 0 296.436 2.264 10 0 CEAERO C[C@H]1CCC[C@@](CN)([N@H+](C)C2CCOCC2)CC1 ZINC000086890728 179366172 /nfs/dbraw/zinc/36/61/72/179366172.db2.gz YGKWXFAMCOSQAT-DZGCQCFKSA-N 1 0 254.418 2.395 10 0 CEAERO C[C@@H]1CCC[C@](C[NH3+])(N2CCOC(C)(C)C2)CC1 ZINC000086890722 179366316 /nfs/dbraw/zinc/36/63/16/179366316.db2.gz VXFAWBSEPOKRMW-HIFRSBDPSA-N 1 0 254.418 2.395 10 0 CEAERO CC[C@@H]1CCC[C@](NCC[NH+](C)C)(C(=O)OC)CC1 ZINC000086915915 179367216 /nfs/dbraw/zinc/36/72/16/179367216.db2.gz SIGNFZZXIDGTPK-UKRRQHHQSA-N 1 0 270.417 2.040 10 0 CEAERO CC[C@H]1CCC[C@@H]([NH2+]CCc2nncn2C)CC1 ZINC000086909063 179367413 /nfs/dbraw/zinc/36/74/13/179367413.db2.gz XDRNDKHHCCGIRB-QWHCGFSZSA-N 1 0 250.390 2.306 10 0 CEAERO CCC[C@H]1CCC[C@@H]([NH2+]CCCS(N)(=O)=O)CC1 ZINC000086945858 179367908 /nfs/dbraw/zinc/36/79/08/179367908.db2.gz BTAAKVXXNDSLLS-QWHCGFSZSA-N 1 0 276.446 2.004 10 0 CEAERO COCCCc1noc(C2([NH3+])CCC(C)CC2)n1 ZINC000086962847 179369478 /nfs/dbraw/zinc/36/94/78/179369478.db2.gz NXOUITNIRNXAQU-UHFFFAOYSA-N 1 0 253.346 2.013 10 0 CEAERO COCCCc1noc([C@]2([NH3+])CCC[C@H](C)C2)n1 ZINC000086963193 179369631 /nfs/dbraw/zinc/36/96/31/179369631.db2.gz XXNUHSKEXTYEHX-GWCFXTLKSA-N 1 0 253.346 2.013 10 0 CEAERO [NH3+][C@@H](Cc1ccncc1Cl)[C@@H]1CSCCS1 ZINC000086983962 179373709 /nfs/dbraw/zinc/37/37/09/179373709.db2.gz HEZSKDOSUCLLPM-QWRGUYRKSA-N 1 0 274.842 2.453 10 0 CEAERO Cc1nc([C@H]2CSCCS2)ncc1[C@@H](C)[NH3+] ZINC000086985382 179373874 /nfs/dbraw/zinc/37/38/74/179373874.db2.gz DMKRGEOXHNWWIM-GMSGAONNSA-N 1 0 255.412 2.326 10 0 CEAERO CCS(=O)(=O)CCCOc1cccc([C@@H](C)[NH2+]C)c1 ZINC000086972843 179371403 /nfs/dbraw/zinc/37/14/03/179371403.db2.gz YLWLUOCFVHQUKE-GFCCVEGCSA-N 1 0 285.409 2.171 10 0 CEAERO CCS(=O)(=O)CCC[C@](C)([NH3+])c1ccccc1F ZINC000086977341 179372051 /nfs/dbraw/zinc/37/20/51/179372051.db2.gz XJKNBLUTULWDGD-ZDUSSCGKSA-N 1 0 273.373 2.215 10 0 CEAERO CCS(=O)(=O)CCC[C@H]1CCCCC[C@H]1[NH2+]C ZINC000086976399 179372187 /nfs/dbraw/zinc/37/21/87/179372187.db2.gz WBRYFGCPVMGAGK-CHWSQXEVSA-N 1 0 261.431 2.370 10 0 CEAERO CC[C@](C)(O)C[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000087028070 179382002 /nfs/dbraw/zinc/38/20/02/179382002.db2.gz LPSRJJRPLCNUDG-STQMWFEESA-N 1 0 257.761 2.124 10 0 CEAERO CC(C)(O)C[NH2+]Cc1cccc(NC(=O)C(F)(F)F)c1 ZINC000087010657 179379118 /nfs/dbraw/zinc/37/91/18/179379118.db2.gz RDRCHPIGTCMBGL-UHFFFAOYSA-N 1 0 290.285 2.048 10 0 CEAERO CC[C@](C)(O)C[NH2+][C@H](C)c1ccc(O)c(OC)c1 ZINC000087011320 179379352 /nfs/dbraw/zinc/37/93/52/179379352.db2.gz YOZZANNEJWOQIW-YGRLFVJLSA-N 1 0 253.342 2.212 10 0 CEAERO CCC(O)(CC)CNC(=O)CC[C@H](CC[NH3+])C(C)C ZINC000087027197 179381624 /nfs/dbraw/zinc/38/16/24/179381624.db2.gz KKMCQLPORZDQJH-CYBMUJFWSA-N 1 0 272.433 2.055 10 0 CEAERO COc1ccc([C@@H](C[NH3+])N(C)Cc2cscn2)cc1F ZINC000086991981 179375622 /nfs/dbraw/zinc/37/56/22/179375622.db2.gz NXTBEMRGISVUGI-CYBMUJFWSA-N 1 0 295.383 2.423 10 0 CEAERO COc1ccc([C@H]2[C@@H]([NH3+])CCN2C(C)C)cc1F ZINC000086995390 179375869 /nfs/dbraw/zinc/37/58/69/179375869.db2.gz RDMGVJVQFHMMQT-JSGCOSHPSA-N 1 0 252.333 2.317 10 0 CEAERO CCC[NH2+]C[C@@H]1OCCN(C)[C@@H]1c1ccc(OC)c(F)c1 ZINC000086995007 179376008 /nfs/dbraw/zinc/37/60/08/179376008.db2.gz DNWCGMJODRPETA-JKSUJKDBSA-N 1 0 296.386 2.206 10 0 CEAERO [NH3+]Cc1cccc(CNC(=O)c2c(F)cc(F)cc2F)c1 ZINC000086995707 179376703 /nfs/dbraw/zinc/37/67/03/179376703.db2.gz FOURXHFLAPLTSE-UHFFFAOYSA-N 1 0 294.276 2.493 10 0 CEAERO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1c(F)cc(F)cc1F ZINC000086997959 179377536 /nfs/dbraw/zinc/37/75/36/179377536.db2.gz VYIVMYCFRSADQE-QPUJVOFHSA-N 1 0 286.297 2.446 10 0 CEAERO CC(C)N1CC[C@H]([NH2+]CC2(O)CCC(C)(C)CC2)C1 ZINC000087045983 179387986 /nfs/dbraw/zinc/38/79/86/179387986.db2.gz OMMUHUXKJJAAIJ-AWEZNQCLSA-N 1 0 268.445 2.390 10 0 CEAERO CCC[NH2+][C@H](CCCS(C)(=O)=O)CSC(C)C ZINC000087114009 179395124 /nfs/dbraw/zinc/39/51/24/179395124.db2.gz NFMKYQIUAWJZPA-GFCCVEGCSA-N 1 0 281.487 2.321 10 0 CEAERO C[NH2+][C@@H](Cc1nc(CSC(C)C)no1)C(C)C ZINC000087115312 179395425 /nfs/dbraw/zinc/39/54/25/179395425.db2.gz DAPPMVVEFCZFSR-JTQLQIEISA-N 1 0 257.403 2.498 10 0 CEAERO C[C@H]([NH2+]CC1(O)CCC(C)(C)CC1)C(=O)N1CCCCC1 ZINC000087063420 179389997 /nfs/dbraw/zinc/38/99/97/179389997.db2.gz PYZKEYZNIYEQOU-AWEZNQCLSA-N 1 0 296.455 2.308 10 0 CEAERO C[C@@H]1CCC[C@@](O)(C[NH2+]CCOCC(F)(F)F)C1 ZINC000087064885 179390018 /nfs/dbraw/zinc/39/00/18/179390018.db2.gz MLOOVSVBVAMQIB-MNOVXSKESA-N 1 0 269.307 2.096 10 0 CEAERO CCOC(=O)C[C@@H](C)[NH2+]CC1(O)CCC(CC)CC1 ZINC000087066274 179390723 /nfs/dbraw/zinc/39/07/23/179390723.db2.gz FCPKWFCLMCEINN-DNOWBOINSA-N 1 0 271.401 2.249 10 0 CEAERO C[C@@H]1CCC[C@@](O)(CNC(=O)CC2([NH3+])CCCCC2)C1 ZINC000087069976 179391362 /nfs/dbraw/zinc/39/13/62/179391362.db2.gz LXPUNKSZSUTOJH-CJNGLKHVSA-N 1 0 282.428 2.096 10 0 CEAERO Cc1nc(C)c([C@H](C)[NH2+]CC2(O)CCCCCC2)c(=O)[nH]1 ZINC000087088937 179393575 /nfs/dbraw/zinc/39/35/75/179393575.db2.gz DFSHAYIWUUYSNV-NSHDSACASA-N 1 0 293.411 2.123 10 0 CEAERO CN(C)CC[NH2+]CCOCc1ccc(Cl)cc1 ZINC000087096891 179393959 /nfs/dbraw/zinc/39/39/59/179393959.db2.gz BREFLBRNJBRETP-UHFFFAOYSA-N 1 0 256.777 2.008 10 0 CEAERO Cn1cc([C@H](C[NH3+])OCc2ccc(Cl)cc2)cn1 ZINC000087092860 179394166 /nfs/dbraw/zinc/39/41/66/179394166.db2.gz JWEUKTLCLNAXGP-ZDUSSCGKSA-N 1 0 265.744 2.290 10 0 CEAERO CC[C@H]1C[NH2+]C[C@H](c2ccc(OC)c(OC)c2OC)O1 ZINC000087090151 179394189 /nfs/dbraw/zinc/39/41/89/179394189.db2.gz KLEMKDHVFCMPEM-GXFFZTMASA-N 1 0 281.352 2.152 10 0 CEAERO CC[C@@H]1C[NH2+]C[C@H](c2cc(OC)c(OC)cc2OC)O1 ZINC000087090210 179394194 /nfs/dbraw/zinc/39/41/94/179394194.db2.gz ARUPHGAXQKWUSV-MEBBXXQBSA-N 1 0 281.352 2.152 10 0 CEAERO CC[NH2+][C@@H](COC)Cc1nc(CS[C@@H](C)CC)no1 ZINC000087140993 179397597 /nfs/dbraw/zinc/39/75/97/179397597.db2.gz JMNJEOIULWUUEN-WDEREUQCSA-N 1 0 287.429 2.268 10 0 CEAERO COc1c(C)c[nH+]c(C[C@H](O)[C@@H]2CCCOC2)c1C ZINC000087181048 179399444 /nfs/dbraw/zinc/39/94/44/179399444.db2.gz KDPMQIXHKXZISO-OCCSQVGLSA-N 1 0 265.353 2.037 10 0 CEAERO Cc1oc(C)c(C(=O)N(CCC[NH3+])C(C)C)c1C ZINC000087188169 179399640 /nfs/dbraw/zinc/39/96/40/179399640.db2.gz RMQQVSPCPVCUIM-UHFFFAOYSA-N 1 0 252.358 2.404 10 0 CEAERO CSC[C@H](C)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000066829120 362887568 /nfs/dbraw/zinc/88/75/68/362887568.db2.gz BJTKXUMPIUXXEO-NWDGAFQWSA-N 1 0 260.447 2.078 10 0 CEAERO CC[NH2+][C@H](CCCS(C)(=O)=O)CSCC(C)C ZINC000087123741 179395885 /nfs/dbraw/zinc/39/58/85/179395885.db2.gz QUFNJWKUYYFYGV-GFCCVEGCSA-N 1 0 281.487 2.179 10 0 CEAERO C[C@@H](O)[C@H](C)Oc1ccc(C[NH3+])cc1Br ZINC000087125614 179396362 /nfs/dbraw/zinc/39/63/62/179396362.db2.gz ZNYLAVGRJYZREA-SFYZADRCSA-N 1 0 274.158 2.056 10 0 CEAERO COc1cccc(OC)c1[C@H](O)[C@@H](C[NH3+])c1ccccc1 ZINC000087349637 179415019 /nfs/dbraw/zinc/41/50/19/179415019.db2.gz UQHZTGXVWZAWQH-SUMWQHHRSA-N 1 0 287.359 2.480 10 0 CEAERO COc1ccc([C@H](O)[C@H](C[NH3+])c2ccccc2)cc1OC ZINC000087349791 179415088 /nfs/dbraw/zinc/41/50/88/179415088.db2.gz GVNXVNNMGRUWPZ-PBHICJAKSA-N 1 0 287.359 2.480 10 0 CEAERO COc1cc([C@@H](C[NH3+])[C@@H](O)CC(C)C)ccc1C ZINC000087377796 179417193 /nfs/dbraw/zinc/41/71/93/179417193.db2.gz XXFFDVLEWPMBJR-KGLIPLIRSA-N 1 0 251.370 2.453 10 0 CEAERO Cc1ccoc1[C@@H](O)[C@H](C[NH3+])c1ccc2c(c1)OCCO2 ZINC000087382065 179417665 /nfs/dbraw/zinc/41/76/65/179417665.db2.gz HTPCUBYYDSITMF-DOMZBBRYSA-N 1 0 289.331 2.135 10 0 CEAERO Cc1sc2ncnc(N[C@@H](C[NH3+])C3CC3)c2c1C ZINC000087384457 179418438 /nfs/dbraw/zinc/41/84/38/179418438.db2.gz OTGPHOUYOVSMCS-JTQLQIEISA-N 1 0 262.382 2.457 10 0 CEAERO CCC[C@@H](C[NH3+])Nc1ccccc1S(=O)(=O)C(F)F ZINC000087405192 179420143 /nfs/dbraw/zinc/42/01/43/179420143.db2.gz FLRKJIYOVAEWCK-VIFPVBQESA-N 1 0 292.351 2.222 10 0 CEAERO CC[C@H](c1nc(Cc2csc(C)n2)no1)[C@H](C)[NH3+] ZINC000104156054 185913196 /nfs/dbraw/zinc/91/31/96/185913196.db2.gz CLNYXECUNNBESQ-XVKPBYJWSA-N 1 0 266.370 2.266 10 0 CEAERO CCC[NH2+][C@@H](Cc1nc(-c2cnn(C)c2)no1)C(C)C ZINC000087427220 179424378 /nfs/dbraw/zinc/42/43/78/179424378.db2.gz DHGKZRAAUOOBPH-LBPRGKRZSA-N 1 0 277.372 2.037 10 0 CEAERO Cc1nc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cs1 ZINC000087428906 179425413 /nfs/dbraw/zinc/42/54/13/179425413.db2.gz XMZPDOLSFNRGTQ-VXGBXAGGSA-N 1 0 279.409 2.056 10 0 CEAERO CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000248568062 539636977 /nfs/dbraw/zinc/63/69/77/539636977.db2.gz FIGIYSVRHJTJOA-BFHYXJOUSA-N 1 0 270.417 2.037 10 0 CEAERO CN(C)C(=O)c1cccc(NC(=O)C(C)(C)C(C)(C)[NH3+])c1 ZINC000087627655 179458593 /nfs/dbraw/zinc/45/85/93/179458593.db2.gz YRAJUPJTMKNWPU-UHFFFAOYSA-N 1 0 291.395 2.090 10 0 CEAERO C[C@@H](Cc1ccccc1)NC(=O)C(C)(C)C(C)(C)[NH3+] ZINC000087629664 179458931 /nfs/dbraw/zinc/45/89/31/179458931.db2.gz UXALEAVFDIWFLF-LBPRGKRZSA-N 1 0 262.397 2.497 10 0 CEAERO CC(C)([NH3+])C(C)(C)C(=O)NCCCOc1ccccc1 ZINC000087629490 179459320 /nfs/dbraw/zinc/45/93/20/179459320.db2.gz AVOSBVOIEMZCGX-UHFFFAOYSA-N 1 0 278.396 2.335 10 0 CEAERO CC(C)CN(CCC(N)=[NH2+])c1nc(C2CC2)ns1 ZINC000087640292 179460743 /nfs/dbraw/zinc/46/07/43/179460743.db2.gz MGQZWHVRYQXBGU-UHFFFAOYSA-N 1 0 267.402 2.204 10 0 CEAERO C[C@@H]([NH3+])CCC[C@H](C)C(=O)Nc1ccccc1CO ZINC000087694153 179471315 /nfs/dbraw/zinc/47/13/15/179471315.db2.gz OCAPVWGWIXSGPP-NWDGAFQWSA-N 1 0 264.369 2.271 10 0 CEAERO C[C@@H]([NH3+])CCC[C@H](C)C(=O)N(C)CC1CCOCC1 ZINC000087702871 179473503 /nfs/dbraw/zinc/47/35/03/179473503.db2.gz FWYUXZLZHCDEAY-QWHCGFSZSA-N 1 0 270.417 2.025 10 0 CEAERO CCOCCN(CC)C(=O)[C@@H](C)CCC[C@H](C)[NH3+] ZINC000087702832 179473602 /nfs/dbraw/zinc/47/36/02/179473602.db2.gz DFOCZMSKRHMYRG-STQMWFEESA-N 1 0 258.406 2.025 10 0 CEAERO CC(C)[NH2+]CCOCCc1ccc2c(c1)OCCCO2 ZINC000087730520 179478904 /nfs/dbraw/zinc/47/89/04/179478904.db2.gz FPXLHIZAWWPCAQ-UHFFFAOYSA-N 1 0 279.380 2.405 10 0 CEAERO CC[C@H](NC(=O)[C@@H](C[NH3+])C(C)C)c1ccccc1OC ZINC000087518973 179439088 /nfs/dbraw/zinc/43/90/88/179439088.db2.gz APKKYLVTMWZSFK-KBPBESRZSA-N 1 0 278.396 2.493 10 0 CEAERO CC[C@H](C[NH3+])C(=O)Nc1cc(C(=O)OC)ccc1Cl ZINC000087519443 179439093 /nfs/dbraw/zinc/43/90/93/179439093.db2.gz RLATZRLWXXSCIH-MRVPVSSYSA-N 1 0 284.743 2.050 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000087522169 179439820 /nfs/dbraw/zinc/43/98/20/179439820.db2.gz FEDXULHEAUXKSJ-IDKOKCKLSA-N 1 0 266.307 2.209 10 0 CEAERO CC[C@H](C[NH3+])C(=O)N(Cc1cccs1)C1CC1 ZINC000087525524 179440569 /nfs/dbraw/zinc/44/05/69/179440569.db2.gz SJKVNBRKOAGXET-SNVBAGLBSA-N 1 0 252.383 2.224 10 0 CEAERO Cc1cc(C(=O)N2CC[C@H](C)[C@H]([NH3+])C2)sc1C ZINC000087568404 179446809 /nfs/dbraw/zinc/44/68/09/179446809.db2.gz PPKIPUXVPBENRW-GZMMTYOYSA-N 1 0 252.383 2.174 10 0 CEAERO CCCn1c(C)nnc1CC1([NH2+]C)CCCCC1 ZINC000087571784 179447556 /nfs/dbraw/zinc/44/75/56/179447556.db2.gz PHJMYKOFPNKRTM-UHFFFAOYSA-N 1 0 250.390 2.461 10 0 CEAERO C[NH2+]C1(CC(=O)NCc2scnc2C)CCCCC1 ZINC000087577857 179449158 /nfs/dbraw/zinc/44/91/58/179449158.db2.gz ZXPHESVNEKBSOL-UHFFFAOYSA-N 1 0 281.425 2.380 10 0 CEAERO C[NH+](C)C1CCN(CCCC(C)(C)C(N)=S)CC1 ZINC000087607862 179453340 /nfs/dbraw/zinc/45/33/40/179453340.db2.gz UVLSYHAQKRHAFF-UHFFFAOYSA-N 1 0 271.474 2.105 10 0 CEAERO CCc1nc(OC2CCC(C)CC2)cc(NN)[nH+]1 ZINC000087907348 179517573 /nfs/dbraw/zinc/51/75/73/179517573.db2.gz QTOGSGWNBAVARY-UHFFFAOYSA-N 1 0 250.346 2.282 10 0 CEAERO [NH3+]CCN1CCCC[C@@H](c2ccc3nnccc3c2)C1 ZINC000616628337 348539386 /nfs/dbraw/zinc/53/93/86/348539386.db2.gz JOMPNHDOIOGZQJ-OAHLLOKOSA-N 1 0 270.380 2.158 10 0 CEAERO OCCc1ccc([C@H]2C[N@H+](Cc3ccccc3)CCN2)cc1 ZINC000616633166 348542058 /nfs/dbraw/zinc/54/20/58/348542058.db2.gz MZKPDLQYXRBOGU-LJQANCHMSA-N 1 0 296.414 2.368 10 0 CEAERO CC(C)(C)N1CC[NH2+]C[C@H]1c1cccc2ccnnc21 ZINC000616636521 348542394 /nfs/dbraw/zinc/54/23/94/348542394.db2.gz VGUJGCYEIRGZGI-AWEZNQCLSA-N 1 0 270.380 2.375 10 0 CEAERO CCc1nc(N[C@@H](C)[C@H](C)CC)c(C)c(NN)[nH+]1 ZINC000087918597 179523163 /nfs/dbraw/zinc/52/31/63/179523163.db2.gz ZVGINHFGICYLEI-SCZZXKLOSA-N 1 0 251.378 2.480 10 0 CEAERO CC[N@@H+]1CCCO[C@H](c2ccc(NC(C)=O)cc2)C1 ZINC000616650162 348547936 /nfs/dbraw/zinc/54/79/36/348547936.db2.gz VSMVHMLEJDYBCD-HNNXBMFYSA-N 1 0 262.353 2.428 10 0 CEAERO c1nc([C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c[nH]1 ZINC000616651629 348548631 /nfs/dbraw/zinc/54/86/31/348548631.db2.gz CYCWXKDZCXLVKY-HNNXBMFYSA-N 1 0 257.337 2.373 10 0 CEAERO COc1ccc(CN(C)CC(F)(F)F)cc1C[NH3+] ZINC000087825604 179495195 /nfs/dbraw/zinc/49/51/95/179495195.db2.gz BLZNGEAGRJFOPH-UHFFFAOYSA-N 1 0 262.275 2.148 10 0 CEAERO CCOC(=O)c1ccc([C@@H]2CCOCC[N@@H+]2C)cc1 ZINC000616657934 348550402 /nfs/dbraw/zinc/55/04/02/348550402.db2.gz NGRGVLYPZSGUTA-AWEZNQCLSA-N 1 0 263.337 2.257 10 0 CEAERO [NH3+][C@@H]1CN(C(=O)CC2CC2)CC[C@@H]1c1ccccc1 ZINC000616571639 348524053 /nfs/dbraw/zinc/52/40/53/348524053.db2.gz QEYOJWIENBIATN-HUUCEWRRSA-N 1 0 258.365 2.130 10 0 CEAERO O=C(CC1CC1)N[C@@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000616571661 348524311 /nfs/dbraw/zinc/52/43/11/348524311.db2.gz QOLUEHDVUFRQFE-LSDHHAIUSA-N 1 0 276.355 2.188 10 0 CEAERO C[NH2+][C@@H](C)CCc1nc([C@H]2COc3ccccc3O2)no1 ZINC000087861548 179504560 /nfs/dbraw/zinc/50/45/60/179504560.db2.gz OTRWUVTWDHQJBQ-GXFFZTMASA-N 1 0 289.335 2.123 10 0 CEAERO c1ccc(C[N@@H+]2CCO[C@H](c3ccnnc3)CC2)cc1 ZINC000616591974 348527435 /nfs/dbraw/zinc/52/74/35/348527435.db2.gz AWRRDIOQPUJPSU-INIZCTEOSA-N 1 0 269.348 2.440 10 0 CEAERO CC[N@@H+]1CCOC[C@H](c2cnnc3ccccc32)C1 ZINC000616591871 348527496 /nfs/dbraw/zinc/52/74/96/348527496.db2.gz AOGJPXXXXPINEH-GFCCVEGCSA-N 1 0 257.337 2.066 10 0 CEAERO [NH3+]CCN1CCO[C@H](c2ccc(Cl)cc2)CC1 ZINC000616596082 348528590 /nfs/dbraw/zinc/52/85/90/348528590.db2.gz YBPFWNWEHIWWPU-ZDUSSCGKSA-N 1 0 254.761 2.062 10 0 CEAERO CCOC(=O)N1CC[NH2+]C[C@H]1c1cccc2cnccc21 ZINC000616604777 348531964 /nfs/dbraw/zinc/53/19/64/348531964.db2.gz NGRRXRNDCFLHCE-HNNXBMFYSA-N 1 0 285.347 2.338 10 0 CEAERO COCC[NH2+]Cc1cc(C)c(OCOC)c(C)c1 ZINC000087888199 179512486 /nfs/dbraw/zinc/51/24/86/179512486.db2.gz ZVAKXNLTNCMKSB-UHFFFAOYSA-N 1 0 253.342 2.022 10 0 CEAERO CSc1nc(NC[C@@]2(C)CCCS2)cc(NN)[nH+]1 ZINC000087896515 179515887 /nfs/dbraw/zinc/51/58/87/179515887.db2.gz HOMIDPRASZQOLZ-LLVKDONJSA-N 1 0 285.442 2.182 10 0 CEAERO COc1ccc(Nc2cc(NN)[nH+]cn2)cc1Cl ZINC000087896654 179515985 /nfs/dbraw/zinc/51/59/85/179515985.db2.gz UCQSHEMEYCYPTB-UHFFFAOYSA-N 1 0 265.704 2.168 10 0 CEAERO C[C@H](C[NH3+])[S@](=O)Cc1sccc1Br ZINC000088068237 179544013 /nfs/dbraw/zinc/54/40/13/179544013.db2.gz SNWXUALXUBYIGB-UANNBLPKSA-N 1 0 282.228 2.107 10 0 CEAERO CC[C@H]([NH3+])C[S@](=O)Cc1ccc(F)cc1Cl ZINC000088072714 179544642 /nfs/dbraw/zinc/54/46/42/179544642.db2.gz YLNVIIMXUXFIAQ-QFYYESIMSA-N 1 0 263.765 2.465 10 0 CEAERO CC[C@@H]([NH3+])C[S@@](=O)Cc1ccccc1Br ZINC000088073110 179544644 /nfs/dbraw/zinc/54/46/44/179544644.db2.gz HHHTUHAQBGDOQT-MEBBXXQBSA-N 1 0 290.226 2.435 10 0 CEAERO C[C@H]([NH3+])CC[S@](=O)Cc1ccc(Br)s1 ZINC000088076743 179544738 /nfs/dbraw/zinc/54/47/38/179544738.db2.gz HVPYFGZILPAMJX-JKYUHCHBSA-N 1 0 296.255 2.497 10 0 CEAERO CC(C)([NH2+][C@H]1CCc2sc(Cl)cc21)C(N)=O ZINC000088117131 179551354 /nfs/dbraw/zinc/55/13/54/179551354.db2.gz MOFSVVMMPGSCON-ZETCQYMHSA-N 1 0 258.774 2.242 10 0 CEAERO CC(C)C[C@@H](C[NH3+])Cc1nc(CC(F)(F)F)no1 ZINC000088275402 179573861 /nfs/dbraw/zinc/57/38/61/179573861.db2.gz PBKKAXPAXCZPQW-MRVPVSSYSA-N 1 0 265.279 2.338 10 0 CEAERO C[C@H](C[NH3+])C[S@@](=O)c1ccccc1Br ZINC000088144681 179556018 /nfs/dbraw/zinc/55/60/18/179556018.db2.gz RKLHAYDBPRTDLL-CLAHSXSESA-N 1 0 276.199 2.152 10 0 CEAERO C[C@@H]1CC[C@@H]([NH3+])[C@H](C(=O)N2CCCC(C)(C)C2)C1 ZINC000088149740 179557194 /nfs/dbraw/zinc/55/71/94/179557194.db2.gz QHKOAQXVMHCJTI-JHJVBQTASA-N 1 0 252.402 2.399 10 0 CEAERO CC(C)C[C@@H](C[NH3+])CC(=O)Nc1ccc(NC(N)=O)cc1 ZINC000088276789 179573973 /nfs/dbraw/zinc/57/39/73/179573973.db2.gz IUGIRMCUIWCHKY-LLVKDONJSA-N 1 0 292.383 2.127 10 0 CEAERO CC[C@H](C[NH3+])C(=O)N(C)[C@H](C)Cc1ccccc1OC ZINC000088194884 179563368 /nfs/dbraw/zinc/56/33/68/179563368.db2.gz LVDRFORIGNWKAV-CHWSQXEVSA-N 1 0 278.396 2.070 10 0 CEAERO C[N@@H+]1CCc2ccccc2[C@@H]1c1ccccc1C(N)=O ZINC000616677362 348557285 /nfs/dbraw/zinc/55/72/85/348557285.db2.gz LRSJNBCUTHHHCY-MRXNPFEDSA-N 1 0 266.344 2.363 10 0 CEAERO CC(C)[N@@H+]1CCO[C@H](c2ccccc2CCO)CC1 ZINC000616687257 348560987 /nfs/dbraw/zinc/56/09/87/348560987.db2.gz QQFDSTGBWZMQSD-INIZCTEOSA-N 1 0 263.381 2.393 10 0 CEAERO CC[C@H](C[NH3+])c1nc([C@H]2CCOc3ccccc32)no1 ZINC000087996215 179532722 /nfs/dbraw/zinc/53/27/22/179532722.db2.gz GFALPCDIFZTIAI-PWSUYJOCSA-N 1 0 273.336 2.436 10 0 CEAERO c1ccc2c(c1)CC[C@@H]2c1noc([C@@H]2CC[NH2+]C2)n1 ZINC000087997586 179533969 /nfs/dbraw/zinc/53/39/69/179533969.db2.gz OWHYUGGPHCBQKY-YPMHNXCESA-N 1 0 255.321 2.225 10 0 CEAERO COc1ccc(OCC[NH2+][C@@H](CN(C)C)C(C)C)cc1 ZINC000088400303 179592845 /nfs/dbraw/zinc/59/28/45/179592845.db2.gz BBHQJROCNKZIRA-INIZCTEOSA-N 1 0 280.412 2.250 10 0 CEAERO CCC[NH2+]Cc1c(C)nn(C)c1Oc1c(C)nn(C)c1C ZINC000088453561 179607344 /nfs/dbraw/zinc/60/73/44/179607344.db2.gz DRICDQJSIINULS-UHFFFAOYSA-N 1 0 291.399 2.371 10 0 CEAERO COc1ccc(OC)c(-c2c[nH]c([C@H]3CC[NH2+]C3)n2)c1 ZINC000088351488 179581273 /nfs/dbraw/zinc/58/12/73/179581273.db2.gz ZBUYOPKGZHZOHR-JTQLQIEISA-N 1 0 273.336 2.171 10 0 CEAERO Cc1cnc(N2CC[N@@H+]3CCC[C@H]3C2)c(Br)c1 ZINC000249394696 539658355 /nfs/dbraw/zinc/65/83/55/539658355.db2.gz SMLJVDJAODKZIA-NSHDSACASA-N 1 0 296.212 2.437 10 0 CEAERO c1cc2sc(CCOC3CC[NH2+]CC3)nc2cn1 ZINC000088538495 179619731 /nfs/dbraw/zinc/61/97/31/179619731.db2.gz VCYYQKKZUWWWOK-UHFFFAOYSA-N 1 0 263.366 2.002 10 0 CEAERO CC[NH2+][C@@H](C)c1cccc(OCc2ncnn2C)c1 ZINC000088571672 179628271 /nfs/dbraw/zinc/62/82/71/179628271.db2.gz DGIVTFWIYLKHJJ-NSHDSACASA-N 1 0 260.341 2.065 10 0 CEAERO C[C@@H](C[NH3+])c1noc([C@@H]2CCOc3ccccc32)n1 ZINC000104203727 185929693 /nfs/dbraw/zinc/92/96/93/185929693.db2.gz QXQOLPWYSIKLRU-GXSJLCMTSA-N 1 0 259.309 2.046 10 0 CEAERO CCCn1ncnc1C[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]C ZINC000088598045 179633339 /nfs/dbraw/zinc/63/33/39/179633339.db2.gz WMXNXWCCVBMSJQ-AVGNSLFASA-N 1 0 250.390 2.255 10 0 CEAERO CC[NH2+][C@H](CCc1ncnn1CC(C)C)C1CC1 ZINC000088600951 179633991 /nfs/dbraw/zinc/63/39/91/179633991.db2.gz QZJVVLPRUUTGHI-CYBMUJFWSA-N 1 0 250.390 2.255 10 0 CEAERO CCn1ncnc1C[C@H](C[NH2+]C)Cc1ccc(F)cc1 ZINC000088620663 179641383 /nfs/dbraw/zinc/64/13/83/179641383.db2.gz CSTURXHTJCCTLE-CYBMUJFWSA-N 1 0 276.359 2.058 10 0 CEAERO CC[C@H]([NH3+])Cc1c(C)nn(Cc2ncnn2C(C)C)c1C ZINC000088622371 179641393 /nfs/dbraw/zinc/64/13/93/179641393.db2.gz CUWHHKVLAHOPDC-ZDUSSCGKSA-N 1 0 290.415 2.000 10 0 CEAERO CCn1ncnc1CN1C[C@@H](C(C)C)[NH2+]C[C@@H]1CC(C)C ZINC000088625190 179642205 /nfs/dbraw/zinc/64/22/05/179642205.db2.gz JCNJJYXBDOLDIQ-GJZGRUSLSA-N 1 0 293.459 2.143 10 0 CEAERO CC(C)[C@H]1CN(Cc2ncnn2C(C)C)[C@@H](C)CC[NH2+]1 ZINC000088625907 179642906 /nfs/dbraw/zinc/64/29/06/179642906.db2.gz LFWRHOFHSWHPJU-UONOGXRCSA-N 1 0 279.432 2.067 10 0 CEAERO Nc1c2ccc(Cl)cc2sc1C(=O)N1CC[NH2+]CC1 ZINC000088641212 179646326 /nfs/dbraw/zinc/64/63/26/179646326.db2.gz VALMUFWXFUPRSF-UHFFFAOYSA-N 1 0 295.795 2.182 10 0 CEAERO Nc1c2cc(F)ccc2sc1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000088641274 179646449 /nfs/dbraw/zinc/64/64/49/179646449.db2.gz YJGWAUYNFQWGTF-VIFPVBQESA-N 1 0 293.367 2.186 10 0 CEAERO Clc1cnccc1CN1CC[NH2+]CC12CCCC2 ZINC000088791335 179672723 /nfs/dbraw/zinc/67/27/23/179672723.db2.gz GDEUYBJKIKNILB-UHFFFAOYSA-N 1 0 265.788 2.453 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc2cccnc21 ZINC000104214698 185934010 /nfs/dbraw/zinc/93/40/10/185934010.db2.gz ZRKOBRGMIZKFIR-CMPLNLGQSA-N 1 0 255.321 2.029 10 0 CEAERO CCC[NH2+]C1CCN(S(=O)(=O)c2ccccc2C)CC1 ZINC000088714732 179656781 /nfs/dbraw/zinc/65/67/81/179656781.db2.gz FENMVGWVNOVLBY-UHFFFAOYSA-N 1 0 296.436 2.148 10 0 CEAERO COc1ccc(-c2nnc(CCC[NH3+])s2)c(OC)c1 ZINC000088809366 179675972 /nfs/dbraw/zinc/67/59/72/179675972.db2.gz UCOGFCABEFQNJN-UHFFFAOYSA-N 1 0 279.365 2.114 10 0 CEAERO CC(C)(C)S(=O)(=O)N(CCC[NH3+])C1CCCCCC1 ZINC000104234475 185938926 /nfs/dbraw/zinc/93/89/26/185938926.db2.gz OHZFZRMWZHXBAV-UHFFFAOYSA-N 1 0 290.473 2.488 10 0 CEAERO CC[C@@H]1CN(C(=O)CCC(F)(F)F)[C@H](CC)C[NH2+]1 ZINC000088834127 179680194 /nfs/dbraw/zinc/68/01/94/179680194.db2.gz ZUKZSSWEWUAEJQ-NXEZZACHSA-N 1 0 266.307 2.318 10 0 CEAERO CC[C@H](NC(=O)[C@@H]1C[NH2+]C[C@@H]1C)C1CCCCC1 ZINC000104224080 185935827 /nfs/dbraw/zinc/93/58/27/185935827.db2.gz IFWZYRVZEKOSAE-YUTCNCBUSA-N 1 0 252.402 2.317 10 0 CEAERO Cc1nn(CC[NH2+][C@@H](C)Cn2ccnc2)c(C)c1Cl ZINC000067880945 362930453 /nfs/dbraw/zinc/93/04/53/362930453.db2.gz WOQNECLKIYGDGT-JTQLQIEISA-N 1 0 281.791 2.028 10 0 CEAERO CCOC(=O)C1CCC(O)(C[NH2+]C2(C(C)C)CC2)CC1 ZINC000339516270 215225720 /nfs/dbraw/zinc/22/57/20/215225720.db2.gz SJWDSYQPSYCXGH-UHFFFAOYSA-N 1 0 283.412 2.249 10 0 CEAERO CC[NH2+][C@H](C)[C@H]1CCCCN1CCOC(F)(F)F ZINC000089051125 179694343 /nfs/dbraw/zinc/69/43/43/179694343.db2.gz NHZFBIUIBYAVCN-GHMZBOCLSA-N 1 0 268.323 2.375 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)CCc1c[nH]c2ccccc12 ZINC000089090885 179697960 /nfs/dbraw/zinc/69/79/60/179697960.db2.gz MXIHWHOWKKTGMK-SWLSCSKDSA-N 1 0 285.391 2.344 10 0 CEAERO CN(C(=O)c1cccc(F)c1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089110322 179705327 /nfs/dbraw/zinc/70/53/27/179705327.db2.gz RIXLBRXKEKYLLO-DGCLKSJQSA-N 1 0 250.317 2.025 10 0 CEAERO C[N@H+](CCOc1ccccc1)C[C@@H](O)COC(C)(C)C ZINC000068047085 362934813 /nfs/dbraw/zinc/93/48/13/362934813.db2.gz ZUHQLQQYLXMBJC-CQSZACIVSA-N 1 0 281.396 2.173 10 0 CEAERO COc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2C[NH3+])cc1F ZINC000089119319 179711856 /nfs/dbraw/zinc/71/18/56/179711856.db2.gz ULKCZXXEJBIECT-TZMCWYRMSA-N 1 0 294.370 2.424 10 0 CEAERO CN(C(=O)c1ccc(F)cc1)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089119900 179712086 /nfs/dbraw/zinc/71/20/86/179712086.db2.gz AKWWUJWDUQRNKZ-OCCSQVGLSA-N 1 0 264.344 2.415 10 0 CEAERO CCNC(=O)c1ccc(C)c(N[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000089149406 179725260 /nfs/dbraw/zinc/72/52/60/179725260.db2.gz AGFHLOCENDVCIN-UONOGXRCSA-N 1 0 275.396 2.284 10 0 CEAERO CC[NH2+]C[C@@H]1CCCN1Cc1nn(C)c2ccccc12 ZINC000089175003 179740649 /nfs/dbraw/zinc/74/06/49/179740649.db2.gz MCOREPFUVCJYBU-ZDUSSCGKSA-N 1 0 272.396 2.147 10 0 CEAERO C[C@H]1C[NH2+][C@@H](C2CC2)CN1Cc1nn(C)c2ccccc12 ZINC000089180325 179744713 /nfs/dbraw/zinc/74/47/13/179744713.db2.gz BXQVBDITOJFMSO-SWLSCSKDSA-N 1 0 284.407 2.146 10 0 CEAERO Cc1cc(CN2CCC[C@@H]2C[NH2+]C(C)(C)C)n(C)n1 ZINC000089185830 179746733 /nfs/dbraw/zinc/74/67/33/179746733.db2.gz MENBCHGGYDEBCC-CYBMUJFWSA-N 1 0 264.417 2.081 10 0 CEAERO CCc1cc(C[C@@]2(C[NH3+])CCOc3ccccc32)n(C)n1 ZINC000089230927 179758258 /nfs/dbraw/zinc/75/82/58/179758258.db2.gz JEPOQINILWUVFX-QGZVFWFLSA-N 1 0 285.391 2.204 10 0 CEAERO COc1ccc([C@H](C)N[C@H](C)[C@H]2CCC[NH2+]2)cc1OC ZINC000400456554 233179133 /nfs/dbraw/zinc/17/91/33/233179133.db2.gz SQMWCILNMTYXKD-OUCADQQQSA-N 1 0 278.396 2.495 10 0 CEAERO C[C@H](NC(=O)[C@H]1CCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000089461597 539719222 /nfs/dbraw/zinc/71/92/22/539719222.db2.gz FXKIWXMQCKTFJA-YUTCNCBUSA-N 1 0 252.402 2.446 10 0 CEAERO Cc1ccc(F)cc1NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089449645 539715811 /nfs/dbraw/zinc/71/58/11/539715811.db2.gz BGZKJIDNZRZARY-CMPLNLGQSA-N 1 0 250.317 2.448 10 0 CEAERO Cc1ccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])c(F)c1 ZINC000089450177 539715984 /nfs/dbraw/zinc/71/59/84/539715984.db2.gz PWCKYPPWIVUKMP-QWRGUYRKSA-N 1 0 250.317 2.448 10 0 CEAERO COc1cccc(C[C@@H](C[NH3+])Cc2cc(C)nn2C)c1 ZINC000089205535 179753590 /nfs/dbraw/zinc/75/35/90/179753590.db2.gz LQCMFQPTRAVZTI-CQSZACIVSA-N 1 0 273.380 2.097 10 0 CEAERO CC(C)N(Cc1ccccn1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089457211 539717546 /nfs/dbraw/zinc/71/75/46/539717546.db2.gz JHDGTXAEPLPUSV-DZGCQCFKSA-N 1 0 275.396 2.194 10 0 CEAERO CCn1nc(C)cc1C[C@@H](C[NH2+]CCOC)C(C)C ZINC000089206334 179754065 /nfs/dbraw/zinc/75/40/65/179754065.db2.gz HFWUGGJXLFEXSM-AWEZNQCLSA-N 1 0 267.417 2.262 10 0 CEAERO Cc1cc(Cn2nc(C)c(C[NH2+]CC(C)C)c2C)n(C)n1 ZINC000089206591 179754212 /nfs/dbraw/zinc/75/42/12/179754212.db2.gz SPOWDNLXNTUOCW-UHFFFAOYSA-N 1 0 289.427 2.336 10 0 CEAERO CCC[C@@H]1C[NH2+]C(C)(C)CN1Cc1cc(CC)nn1C ZINC000089209406 179755207 /nfs/dbraw/zinc/75/52/07/179755207.db2.gz BQIDVISVUHXEKT-CQSZACIVSA-N 1 0 278.444 2.335 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCc1nc2ccccc2s1 ZINC000089459504 539718487 /nfs/dbraw/zinc/71/84/87/539718487.db2.gz NWMIISIOYOWNLZ-QWRGUYRKSA-N 1 0 289.404 2.288 10 0 CEAERO CC[NH2+]C[C@H]1CCCN(Cc2c(Cl)c(CC)nn2C)C1 ZINC000089320676 179769057 /nfs/dbraw/zinc/76/90/57/179769057.db2.gz KHCHHILXGJLBTL-GFCCVEGCSA-N 1 0 298.862 2.457 10 0 CEAERO CCc1nn(C)c(CN(C)c2cc[nH+]cc2N)c1Cl ZINC000089320810 179769105 /nfs/dbraw/zinc/76/91/05/179769105.db2.gz ZJLGZXBWICBMGD-UHFFFAOYSA-N 1 0 279.775 2.250 10 0 CEAERO CCc1nn(CC)c(CN(C)C2CC[NH2+]CC2)c1Cl ZINC000089353307 179772290 /nfs/dbraw/zinc/77/22/90/179772290.db2.gz VQQJYKQZTJCSAD-UHFFFAOYSA-N 1 0 284.835 2.303 10 0 CEAERO CCn1nc(C)c(Cl)c1CN1CCCC[C@H]1C[NH3+] ZINC000089279351 179764410 /nfs/dbraw/zinc/76/44/10/179764410.db2.gz ZEZNDNRRCNXSAO-NSHDSACASA-N 1 0 270.808 2.178 10 0 CEAERO COc1ccc(CCNC(=O)[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000089385922 179777771 /nfs/dbraw/zinc/77/77/71/179777771.db2.gz UIEPNDFRWOMWRA-GDBMZVCRSA-N 1 0 290.407 2.119 10 0 CEAERO Cc1ccnc(-c2noc([C@H]3CCC[C@H]3C[NH3+])n2)c1 ZINC000089431322 179787329 /nfs/dbraw/zinc/78/73/29/179787329.db2.gz NUDBVMDCYXRWDK-QWRGUYRKSA-N 1 0 258.325 2.282 10 0 CEAERO COc1cc(C)ccc1NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089454997 179794342 /nfs/dbraw/zinc/79/43/42/179794342.db2.gz VGLCFQCPSYXFOP-NWDGAFQWSA-N 1 0 262.353 2.317 10 0 CEAERO Cc1ccc(CN(C(=O)[C@H]2CCC[C@H]2C[NH3+])C2CC2)o1 ZINC000089457039 179794557 /nfs/dbraw/zinc/79/45/57/179794557.db2.gz OCWBFJZQVISCJL-WFASDCNBSA-N 1 0 276.380 2.454 10 0 CEAERO C[C@@H](NC(=O)[C@H]1CCC[C@@H]1C[NH3+])c1ccc(F)cc1 ZINC000089459349 179795251 /nfs/dbraw/zinc/79/52/51/179795251.db2.gz LTZZNZACCCKFPW-QKCSRTOESA-N 1 0 264.344 2.378 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@@H]1c1nc(Cc2cccnc2)no1 ZINC000089383582 179776275 /nfs/dbraw/zinc/77/62/75/179776275.db2.gz VOPKNSDODKZRNJ-OLZOCXBDSA-N 1 0 272.352 2.288 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(F)cc1 ZINC000089530983 179811286 /nfs/dbraw/zinc/81/12/86/179811286.db2.gz PMJFWWUMHOKAHT-STQMWFEESA-N 1 0 264.344 2.321 10 0 CEAERO C[C@H]([NH2+]C[C@H]1CCC[C@@H]1CO)c1ccc(NC(N)=O)cc1 ZINC000089495682 179803400 /nfs/dbraw/zinc/80/34/00/179803400.db2.gz HYKSYUVEZOZTBY-IACUBPJLSA-N 1 0 291.395 2.236 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1CNC(=O)c1c(F)cc(F)cc1F ZINC000089500770 179804863 /nfs/dbraw/zinc/80/48/63/179804863.db2.gz ZUEMAFNIMCLHAW-BDAKNGLRSA-N 1 0 286.297 2.209 10 0 CEAERO Cc1cccc(C(=O)NC[C@@H]2CCC[C@@H]2C[NH3+])c1C ZINC000089500698 179804893 /nfs/dbraw/zinc/80/48/93/179804893.db2.gz OGIHMZXJPGYLMX-KGLIPLIRSA-N 1 0 260.381 2.408 10 0 CEAERO Cc1ncsc1C[NH2+]C[C@H]1CCCC[C@@H]1CO ZINC000089503212 179806222 /nfs/dbraw/zinc/80/62/22/179806222.db2.gz FDKFUXUEICPBFG-VXGBXAGGSA-N 1 0 254.399 2.340 10 0 CEAERO COc1ccc(C)cc1[C@@H](C)NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000089742001 179857543 /nfs/dbraw/zinc/85/75/43/179857543.db2.gz GHPDQBWXLHQAOG-OLZOCXBDSA-N 1 0 276.380 2.180 10 0 CEAERO C[C@H](NC(=O)C[C@@H]1CC[NH2+]C1)c1cccc(F)c1 ZINC000089746645 179858539 /nfs/dbraw/zinc/85/85/39/179858539.db2.gz AKCUJIFLHUFSPD-QWRGUYRKSA-N 1 0 250.317 2.003 10 0 CEAERO CC[NH2+][C@H](c1ccc(C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000104341410 185975656 /nfs/dbraw/zinc/97/56/56/185975656.db2.gz YALXGARFPUFTBA-TZMCWYRMSA-N 1 0 285.384 2.219 10 0 CEAERO CCCC1([NH3+])CN(C(=O)c2ccc(F)c(C)c2)C1 ZINC000089655056 179841766 /nfs/dbraw/zinc/84/17/66/179841766.db2.gz CACXPHKBSDPZKI-UHFFFAOYSA-N 1 0 250.317 2.088 10 0 CEAERO COc1ccc([C@@H](C[NH3+])NC2CC2)c(Cl)c1OC ZINC000104355168 185981585 /nfs/dbraw/zinc/98/15/85/185981585.db2.gz HFIGEVGOHOVPDK-SNVBAGLBSA-N 1 0 270.760 2.109 10 0 CEAERO COc1ccc([C@H](SCCCO)[C@H](C)[NH3+])cc1 ZINC000090107008 179915941 /nfs/dbraw/zinc/91/59/41/179915941.db2.gz OEMOSQBCBQECCX-GXFFZTMASA-N 1 0 255.383 2.199 10 0 CEAERO CC(C)C[C@@](C)(O)C[NH2+]CCOc1ccccc1 ZINC000090272191 179944556 /nfs/dbraw/zinc/94/45/56/179944556.db2.gz ZGWFWZOXITXSBP-OAHLLOKOSA-N 1 0 251.370 2.452 10 0 CEAERO CCCN(Cc1ccccc1OC(F)F)C1C[NH2+]C1 ZINC000090292396 179951203 /nfs/dbraw/zinc/95/12/03/179951203.db2.gz QSIREVOQQHBLGX-UHFFFAOYSA-N 1 0 270.323 2.472 10 0 CEAERO CC1(C)[C@H]2C[NH2+]C[C@H]2CN1C(=O)c1cccc(F)c1F ZINC000090336002 179965131 /nfs/dbraw/zinc/96/51/31/179965131.db2.gz ROBZFHXXZMPKPA-ONGXEEELSA-N 1 0 280.318 2.035 10 0 CEAERO CCN(Cc1ccccc1)C(=O)CSC[C@@H](C)[NH3+] ZINC000090344016 179969460 /nfs/dbraw/zinc/96/94/60/179969460.db2.gz NXTHFFZYZZBXQW-GFCCVEGCSA-N 1 0 266.410 2.116 10 0 CEAERO C[C@H]([NH3+])CCSC[C@@H](O)COCc1ccccc1 ZINC000090346752 179970511 /nfs/dbraw/zinc/97/05/11/179970511.db2.gz PPSMLLRCHGXYCV-JSGCOSHPSA-N 1 0 269.410 2.035 10 0 CEAERO C[C@H](C[NH3+])CSCC(=O)N(C)C1CCCCC1 ZINC000090349817 179972183 /nfs/dbraw/zinc/97/21/83/179972183.db2.gz BQTWNUYIORZFIL-LLVKDONJSA-N 1 0 258.431 2.106 10 0 CEAERO COC(=O)c1oc(CSC[C@H](C)C[NH3+])cc1C ZINC000090351037 179972818 /nfs/dbraw/zinc/97/28/18/179972818.db2.gz YDDUEYWCSRZDHW-MRVPVSSYSA-N 1 0 257.355 2.203 10 0 CEAERO Cc1cc(CNC(=O)CS[C@H](C)CC[NH3+])ccc1F ZINC000090354479 179973207 /nfs/dbraw/zinc/97/32/07/179973207.db2.gz YKCYZHADEGYYCU-LLVKDONJSA-N 1 0 284.400 2.221 10 0 CEAERO C[C@H]1C[C@@H]([NH2+]CCC(=O)NC2CC2)CC(C)(C)C1 ZINC000090714668 180028363 /nfs/dbraw/zinc/02/83/63/180028363.db2.gz QXTXOMDNZQFTQE-WCQYABFASA-N 1 0 252.402 2.460 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1cc(F)ccc1C ZINC000090539033 180000328 /nfs/dbraw/zinc/00/03/28/180000328.db2.gz BUDNXFTYIGUFEU-GXTWGEPZSA-N 1 0 280.343 2.087 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N(CC)c1ccc(C)cc1 ZINC000090544424 180001085 /nfs/dbraw/zinc/00/10/85/180001085.db2.gz YRUAOUHBCWCBJG-JKSUJKDBSA-N 1 0 290.407 2.363 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1CN(C)c1ccc(F)cc1 ZINC000090566684 180006388 /nfs/dbraw/zinc/00/63/88/180006388.db2.gz WVBPTFRRMIQZJD-IUODEOHRSA-N 1 0 266.360 2.277 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1CN(C)c1ccccc1OC ZINC000090566688 180006390 /nfs/dbraw/zinc/00/63/90/180006390.db2.gz LUZGGESGARPBGB-ZIAGYGMSSA-N 1 0 278.396 2.146 10 0 CEAERO CCCn1c2ccccc2nc1[C@]1(C)COC[C@@H]1[NH3+] ZINC000090571664 180007528 /nfs/dbraw/zinc/00/75/28/180007528.db2.gz OFPLAWNPDYZNSF-DZGCQCFKSA-N 1 0 259.353 2.062 10 0 CEAERO C[C@@]1(c2nc(-c3ccc(F)cc3Cl)no2)COC[C@@H]1[NH3+] ZINC000090573778 180007614 /nfs/dbraw/zinc/00/76/14/180007614.db2.gz CJZBOBNWVROGDJ-GXFFZTMASA-N 1 0 297.717 2.144 10 0 CEAERO C[C@]1(c2nc3cc(F)ccc3n2C2CC2)COC[C@@H]1[NH3+] ZINC000090571728 180007974 /nfs/dbraw/zinc/00/79/74/180007974.db2.gz SGYDVISRESMZKC-ZFWWWQNUSA-N 1 0 275.327 2.126 10 0 CEAERO C[C@]1(c2nc(C3CCCCCC3)no2)COC[C@H]1[NH3+] ZINC000090574163 180008847 /nfs/dbraw/zinc/00/88/47/180008847.db2.gz MTXHZTBAOKLVGT-RISCZKNCSA-N 1 0 265.357 2.123 10 0 CEAERO CC(C)[C@H](NC(=O)[C@@]1(C)COC[C@@H]1[NH3+])c1ccc(F)cc1 ZINC000090586315 180009681 /nfs/dbraw/zinc/00/96/81/180009681.db2.gz YWFJQPHRSXHIKB-DZKIICNBSA-N 1 0 294.370 2.003 10 0 CEAERO CC[C@H](NC(=O)[C@@]1(C)COC[C@@H]1[NH3+])c1cccc(Cl)c1 ZINC000090585501 180009684 /nfs/dbraw/zinc/00/96/84/180009684.db2.gz YBHJFGQIIUIYMJ-YDHLFZDLSA-N 1 0 296.798 2.271 10 0 CEAERO Cc1cc(OC(C)C)ccc1NC(=O)[C@]1(C)COC[C@H]1[NH3+] ZINC000090590074 180010341 /nfs/dbraw/zinc/01/03/41/180010341.db2.gz WDVAKIHCECJIGI-GDBMZVCRSA-N 1 0 292.379 2.085 10 0 CEAERO COC(C[C@@H](C[NH3+])Nc1ccc(Cl)cc1)OC ZINC000090625440 180015759 /nfs/dbraw/zinc/01/57/59/180015759.db2.gz TTZPPQAZMRLXMV-NSHDSACASA-N 1 0 258.749 2.088 10 0 CEAERO C[C@@H](O[C@@H](C)C(=O)Nc1ccc(C[NH3+])cc1)C(F)(F)F ZINC000090671938 180020794 /nfs/dbraw/zinc/02/07/94/180020794.db2.gz BVJJWHGKIKEEDK-DTWKUNHWSA-N 1 0 290.285 2.440 10 0 CEAERO CCC[NH2+][C@@](CO)(CO[C@H](C)C(F)(F)F)C1CC1 ZINC000090675972 180022543 /nfs/dbraw/zinc/02/25/43/180022543.db2.gz FFQVXAQWFMPPTG-KOLCDFICSA-N 1 0 269.307 2.095 10 0 CEAERO CC(C)c1ncc(O[C@H](C)C(F)(F)F)c(C[NH3+])n1 ZINC000090675295 180022604 /nfs/dbraw/zinc/02/26/04/180022604.db2.gz ADIZLMLOWVYAMK-SSDOTTSWSA-N 1 0 263.263 2.388 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCCO[C@@H](C)C(F)(F)F ZINC000090676043 180022650 /nfs/dbraw/zinc/02/26/50/180022650.db2.gz SPXZHMVFPGFAFQ-VHSXEESVSA-N 1 0 257.296 2.095 10 0 CEAERO CCOC(=O)N1CCCSC[C@@H]1C[NH+]1CCCCC1 ZINC000090701528 180027875 /nfs/dbraw/zinc/02/78/75/180027875.db2.gz JTDZEFJKFGUYMA-ZDUSSCGKSA-N 1 0 286.441 2.436 10 0 CEAERO CCCOc1cc(N[C@H]2CCCC[C@@H]2C[NH3+])ncn1 ZINC000090785279 180039913 /nfs/dbraw/zinc/03/99/13/180039913.db2.gz PLDNQKVWAAQWJK-NEPJUHHUSA-N 1 0 264.373 2.195 10 0 CEAERO CCCOc1cc(N2CCC[C@@H]2C[NH2+]CC(C)C)ncn1 ZINC000090785454 180040115 /nfs/dbraw/zinc/04/01/15/180040115.db2.gz RESKTXQBQULETH-CQSZACIVSA-N 1 0 292.427 2.480 10 0 CEAERO CCCOc1cc(N(C)c2ccc(C[NH3+])cc2)ncn1 ZINC000090785087 180040168 /nfs/dbraw/zinc/04/01/68/180040168.db2.gz DMRSJYXLHRHQBO-UHFFFAOYSA-N 1 0 272.352 2.492 10 0 CEAERO CC(C)Oc1cc(N[C@H](C[NH3+])Cc2ccccc2)ncn1 ZINC000090786637 180040713 /nfs/dbraw/zinc/04/07/13/180040713.db2.gz PTRSKBQYTHNTQB-AWEZNQCLSA-N 1 0 286.379 2.246 10 0 CEAERO COc1ncnc(N[C@@]2(C[NH3+])CCC[C@@H](C)C2)c1C ZINC000090789248 180041211 /nfs/dbraw/zinc/04/12/11/180041211.db2.gz VSLLAXFKFXIDKB-YGRLFVJLSA-N 1 0 264.373 2.113 10 0 CEAERO COc1ncnc(NC2(C[NH3+])CCC(C)CC2)c1C ZINC000090789249 180041583 /nfs/dbraw/zinc/04/15/83/180041583.db2.gz DJCOKNZHZWWDNC-UHFFFAOYSA-N 1 0 264.373 2.113 10 0 CEAERO CCOc1ncnc(N(C)CC[NH2+]C(C)(C)C)c1C ZINC000090789875 180042321 /nfs/dbraw/zinc/04/23/21/180042321.db2.gz ZAYPVAZBZGJWQU-UHFFFAOYSA-N 1 0 266.389 2.008 10 0 CEAERO COc1cc(N[C@@H](CC(C)C)C[NH+](C)C)nc(C)n1 ZINC000090792200 180043025 /nfs/dbraw/zinc/04/30/25/180043025.db2.gz KFHVPLSYSGFZQN-LBPRGKRZSA-N 1 0 266.389 2.182 10 0 CEAERO COc1ccc(CC[C@H](C)[NH2+]C[C@@H](C)[S@](C)=O)cc1 ZINC000090842199 180044599 /nfs/dbraw/zinc/04/45/99/180044599.db2.gz QXIPWUIXIKQHEE-XEKQOVJPSA-N 1 0 283.437 2.373 10 0 CEAERO COc1c(C[NH2+]C[C@H]2CCCC23CC3)c(C)nn1C ZINC000623824954 350118384 /nfs/dbraw/zinc/11/83/84/350118384.db2.gz TVLLWFBXAYFBNL-GFCCVEGCSA-N 1 0 263.385 2.407 10 0 CEAERO CC[NH2+]Cc1cccc(SCCCS(C)(=O)=O)c1 ZINC000090871207 180049504 /nfs/dbraw/zinc/04/95/04/180049504.db2.gz JISUIQUZWAKASB-UHFFFAOYSA-N 1 0 287.450 2.323 10 0 CEAERO [NH3+][C@H]1COc2cc(OC[C@@H]3Cc4ccccc4O3)ccc21 ZINC000090873954 180050030 /nfs/dbraw/zinc/05/00/30/180050030.db2.gz AUWYCIOMVBWIIN-ZFWWWQNUSA-N 1 0 283.327 2.461 10 0 CEAERO C[C@H](CN1CCCC1)[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000090874395 180050334 /nfs/dbraw/zinc/05/03/34/180050334.db2.gz MMMXMLVIMGSOSF-HIFRSBDPSA-N 1 0 260.381 2.064 10 0 CEAERO Cc1cccc(C[NH2+]C[C@@H]2Cc3ccccc3O2)n1 ZINC000090874542 180050982 /nfs/dbraw/zinc/05/09/82/180050982.db2.gz TUOCRVKACVRSPK-HNNXBMFYSA-N 1 0 254.333 2.483 10 0 CEAERO NC(=[NH2+])c1ccccc1OC[C@@H]1Cc2ccccc2O1 ZINC000090875239 180051298 /nfs/dbraw/zinc/05/12/98/180051298.db2.gz OJZBCCGIXUATBA-LBPRGKRZSA-N 1 0 268.316 2.353 10 0 CEAERO Fc1ccc2c(c1)C[C@@H](C[NH2+]C[C@H]1CCCOC1)O2 ZINC000090892264 180053543 /nfs/dbraw/zinc/05/35/43/180053543.db2.gz WACCTGBMTPSSEY-RISCZKNCSA-N 1 0 265.328 2.145 10 0 CEAERO C[C@@H](Cn1cccn1)[NH2+]C[C@H]1Cc2cc(F)ccc2O1 ZINC000090892339 180054205 /nfs/dbraw/zinc/05/42/05/180054205.db2.gz QJTTYBSAXFRLHM-SMDDNHRTSA-N 1 0 275.327 2.004 10 0 CEAERO OC1(C[NH2+]C[C@H]2Cc3cc(F)ccc3O2)CCCC1 ZINC000090892975 180054990 /nfs/dbraw/zinc/05/49/90/180054990.db2.gz OUYPXMFVBLZWKS-CYBMUJFWSA-N 1 0 265.328 2.024 10 0 CEAERO [NH3+]C1CCC(OC[C@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090893713 180055357 /nfs/dbraw/zinc/05/53/57/180055357.db2.gz OZUOPOZSCKYLKX-JXQTWKCFSA-N 1 0 265.328 2.416 10 0 CEAERO CC(C)[C@@H]1CN(C[C@@H]2Cc3cc(F)ccc3O2)CCC[NH2+]1 ZINC000090896183 180056795 /nfs/dbraw/zinc/05/67/95/180056795.db2.gz WOIBLWSLFQQQTO-HOTGVXAUSA-N 1 0 292.398 2.449 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](C[N@H+](CC(N)=S)C(C)C)O2 ZINC000090898449 180058402 /nfs/dbraw/zinc/05/84/02/180058402.db2.gz CEENORYGTTUFPB-ZDUSSCGKSA-N 1 0 278.421 2.295 10 0 CEAERO C[C@@H]1CN(C[C@@H]2Cc3cc(Cl)ccc3O2)C[C@H](C)[NH2+]1 ZINC000090900171 180059166 /nfs/dbraw/zinc/05/91/66/180059166.db2.gz PKLRGVHXDOZINZ-WDMOLILDSA-N 1 0 280.799 2.326 10 0 CEAERO CCOc1ccccc1[C@H](CN1C[C@H]2CC[C@@H](C1)O2)[NH2+]C ZINC000090906005 180061310 /nfs/dbraw/zinc/06/13/10/180061310.db2.gz MMDFQTSJVHFOON-LZWOXQAQSA-N 1 0 290.407 2.209 10 0 CEAERO Fc1ccc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090908013 180061832 /nfs/dbraw/zinc/06/18/32/180061832.db2.gz FPZPRYCSMBYRJZ-OKILXGFUSA-N 1 0 250.317 2.101 10 0 CEAERO CC(C)C[NH2+]Cc1csc(N2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000090908321 180062224 /nfs/dbraw/zinc/06/22/24/180062224.db2.gz KBFANOWWCUQCCC-BETUJISGSA-N 1 0 281.425 2.256 10 0 CEAERO CCC[C@@](C)(C[NH2+]C1CC1)CN1C[C@H]2CC[C@@H](C1)O2 ZINC000090907479 180062356 /nfs/dbraw/zinc/06/23/56/180062356.db2.gz LAQPGGFZBUPJOZ-XHSDSOJGSA-N 1 0 266.429 2.408 10 0 CEAERO CC(C)C1CCC([NH2+]C[C@@H]2CN(C)CCO2)CC1 ZINC000090714902 180029651 /nfs/dbraw/zinc/02/96/51/180029651.db2.gz FPOHTGSBSKXJOA-YMAMQOFZSA-N 1 0 254.418 2.121 10 0 CEAERO COC[C@@H](O)CC[NH2+][C@@H](Cc1ccccc1OC)C(C)C ZINC000090949532 180071226 /nfs/dbraw/zinc/07/12/26/180071226.db2.gz RKAHIPNGAREOOY-HOTGVXAUSA-N 1 0 295.423 2.249 10 0 CEAERO [NH3+]CCc1nc(C(=O)Nc2cccc3cnccc32)cs1 ZINC000090948027 180071281 /nfs/dbraw/zinc/07/12/81/180071281.db2.gz LCSSKCKHXKLNLQ-UHFFFAOYSA-N 1 0 298.371 2.445 10 0 CEAERO [NH3+]CCc1nc(C(=O)Nc2cccc(F)c2F)cs1 ZINC000090951184 180072505 /nfs/dbraw/zinc/07/25/05/180072505.db2.gz FFAANNJUIWXCSF-UHFFFAOYSA-N 1 0 283.303 2.175 10 0 CEAERO CCOC1CCN(Cc2csc([C@H](C)[NH3+])n2)CC1 ZINC000090958097 180074851 /nfs/dbraw/zinc/07/48/51/180074851.db2.gz JVFJWUGVIMFJFQ-JTQLQIEISA-N 1 0 269.414 2.164 10 0 CEAERO Nc1ccsc1C[NH2+]Cc1cccc2c1OCO2 ZINC000090960388 180075250 /nfs/dbraw/zinc/07/52/50/180075250.db2.gz JUARWAOSASXSQA-UHFFFAOYSA-N 1 0 262.334 2.349 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+][C@H](CN(C)C)C(C)C ZINC000090960445 180075262 /nfs/dbraw/zinc/07/52/62/180075262.db2.gz HLKDIRVSFGZECW-CYBMUJFWSA-N 1 0 283.441 2.382 10 0 CEAERO Nc1ccsc1C[NH2+][C@H]1CCC[C@H]1n1ccnc1 ZINC000090959943 180075316 /nfs/dbraw/zinc/07/53/16/180075316.db2.gz CCPXZYYZRGBFKY-NWDGAFQWSA-N 1 0 262.382 2.410 10 0 CEAERO C[C@H]1CCC[C@](O)(C[NH2+]Cc2sccc2N)C1 ZINC000090960849 180076343 /nfs/dbraw/zinc/07/63/43/180076343.db2.gz ZHXREQPGCNPLAS-GXFFZTMASA-N 1 0 254.399 2.361 10 0 CEAERO CC(=O)Nc1ccccc1C[NH2+][C@H](CN(C)C)C(C)C ZINC000090962395 180076770 /nfs/dbraw/zinc/07/67/70/180076770.db2.gz ITHOIEQZQXBDKE-MRXNPFEDSA-N 1 0 277.412 2.321 10 0 CEAERO [NH3+]Cc1ccc(CNC(=O)[C@@H]2Cc3ccccc32)cc1 ZINC000090982614 180079470 /nfs/dbraw/zinc/07/94/70/180079470.db2.gz TVJYATCJRDEKKB-MRXNPFEDSA-N 1 0 266.344 2.101 10 0 CEAERO CCCN(C(=O)[C@@H]1Cc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000090983543 180080272 /nfs/dbraw/zinc/08/02/72/180080272.db2.gz KOVRISNAPSSQNU-GOEBONIOSA-N 1 0 272.392 2.317 10 0 CEAERO [NH3+][C@@H](c1ccc2c(c1)NC(=O)CO2)[C@@H]1Cc2ccccc21 ZINC000090983909 180080293 /nfs/dbraw/zinc/08/02/93/180080293.db2.gz CITTUNOVVUTVDM-DYVFJYSZSA-N 1 0 280.327 2.357 10 0 CEAERO [NH3+]CCN(C(=O)[C@H]1Cc2ccccc21)C1CCCCC1 ZINC000090987166 180080935 /nfs/dbraw/zinc/08/09/35/180080935.db2.gz HPYBXVSNGFTDLG-INIZCTEOSA-N 1 0 272.392 2.446 10 0 CEAERO [NH3+]Cc1cccc(C(=O)NC[C@H]2Cc3ccccc32)c1 ZINC000090992109 180081587 /nfs/dbraw/zinc/08/15/87/180081587.db2.gz FBSVSHQHEDABDU-OAHLLOKOSA-N 1 0 266.344 2.215 10 0 CEAERO CCc1noc(Cn2cc(C[NH2+]C)c3ccccc32)n1 ZINC000090995332 180082715 /nfs/dbraw/zinc/08/27/15/180082715.db2.gz CCINCDHXZMDZSY-UHFFFAOYSA-N 1 0 270.336 2.354 10 0 CEAERO CC[NH2+]Cc1cn(Cc2nonc2C)c2ccccc12 ZINC000090995383 180082726 /nfs/dbraw/zinc/08/27/26/180082726.db2.gz IYXMXJXPWLPQED-UHFFFAOYSA-N 1 0 270.336 2.491 10 0 CEAERO CC(C)(C)NC(=O)Cn1cc(C[NH3+])c2ccccc21 ZINC000090995012 180082802 /nfs/dbraw/zinc/08/28/02/180082802.db2.gz NLHUXJUFDPCGBI-UHFFFAOYSA-N 1 0 259.353 2.015 10 0 CEAERO CNC(=O)Cn1cc(C[NH2+]C(C)(C)C)c2ccccc21 ZINC000090995596 180082960 /nfs/dbraw/zinc/08/29/60/180082960.db2.gz DMHITPUJCNUXGW-UHFFFAOYSA-N 1 0 273.380 2.275 10 0 CEAERO CC[NH2+]Cc1cn(CC(=O)N(C)C2CC2)c2ccccc12 ZINC000090995382 180082985 /nfs/dbraw/zinc/08/29/85/180082985.db2.gz HAVKSXCJEHIDKX-UHFFFAOYSA-N 1 0 285.391 2.372 10 0 CEAERO CCC[C@@H](C)NC(=O)Cn1cc(C[NH3+])c2ccccc21 ZINC000090994996 180083009 /nfs/dbraw/zinc/08/30/09/180083009.db2.gz JICWDRGRJRURBU-GFCCVEGCSA-N 1 0 273.380 2.405 10 0 CEAERO CCc1nnc(Cn2cccc2C[NH2+]CC(C)C)o1 ZINC000091001787 180083282 /nfs/dbraw/zinc/08/32/82/180083282.db2.gz XNLYEZLFNPGPKJ-UHFFFAOYSA-N 1 0 262.357 2.227 10 0 CEAERO CCC[NH2+]Cc1cccn1CC(=O)N1CCCCC1 ZINC000091000984 180083516 /nfs/dbraw/zinc/08/35/16/180083516.db2.gz OBBPOLNPFIEHIR-UHFFFAOYSA-N 1 0 263.385 2.000 10 0 CEAERO Cc1nn(CCCCCO)c(C)c1C[NH2+]CC(C)C ZINC000091002231 180083805 /nfs/dbraw/zinc/08/38/05/180083805.db2.gz XVMGBIFZKCMARW-UHFFFAOYSA-N 1 0 267.417 2.408 10 0 CEAERO CCC[NH2+]Cc1ccn(CC(=O)NCCC(C)C)c1 ZINC000091003393 180084076 /nfs/dbraw/zinc/08/40/76/180084076.db2.gz MXKCCWNCWXKKDK-UHFFFAOYSA-N 1 0 265.401 2.150 10 0 CEAERO [NH3+]CCc1ccn(C[C@H]2Cc3cc(F)ccc3O2)c1 ZINC000091004853 180084127 /nfs/dbraw/zinc/08/41/27/180084127.db2.gz JULHNRXFCUIRTR-CQSZACIVSA-N 1 0 260.312 2.132 10 0 CEAERO Cc1nn(C)c(Cn2ccc(C[C@H](C)[NH3+])c2)c1Cl ZINC000091006066 180084721 /nfs/dbraw/zinc/08/47/21/180084721.db2.gz RIWIMVCHDGMWOR-VIFPVBQESA-N 1 0 266.776 2.121 10 0 CEAERO O[C@@H]1CCCC[C@H]1C[NH2+]Cc1c[nH]c2ncccc12 ZINC000091018805 180086829 /nfs/dbraw/zinc/08/68/29/180086829.db2.gz YWJRCQFZGPKWHH-SMDDNHRTSA-N 1 0 259.353 2.204 10 0 CEAERO Cc1noc(Cn2cc(C[NH2+]C3CC3)c3cccnc32)n1 ZINC000091020906 180088628 /nfs/dbraw/zinc/08/86/28/180088628.db2.gz CIMGNXUXNJISJN-UHFFFAOYSA-N 1 0 283.335 2.028 10 0 CEAERO C[C@H]([NH3+])c1nc(-c2nncn2-c2ccccc2)cs1 ZINC000090945150 180069703 /nfs/dbraw/zinc/06/97/03/180069703.db2.gz MJSKTEIOTONLPG-VIFPVBQESA-N 1 0 271.349 2.411 10 0 CEAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[NH2+]CC[C@H]12 ZINC000669383042 539765411 /nfs/dbraw/zinc/76/54/11/539765411.db2.gz VNXYOOGMTOVYAD-GRYCIOLGSA-N 1 0 254.374 2.289 10 0 CEAERO CC1CCC(OC(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000091129934 180101344 /nfs/dbraw/zinc/10/13/44/180101344.db2.gz LZLFLLWPOVIJIG-MOENNCHZSA-N 1 0 257.399 2.203 10 0 CEAERO CCn1cc2c(n1)[C@@H](CC[NH3+])CN(C(=O)OC(C)(C)C)C2 ZINC000091303222 180129863 /nfs/dbraw/zinc/12/98/63/180129863.db2.gz WRKITDUXLGCOGN-NSHDSACASA-N 1 0 294.399 2.086 10 0 CEAERO CCN(CC)C(=O)C[C@@H](C[NH3+])N1CCC2(CCCC2)CC1 ZINC000091322910 180134336 /nfs/dbraw/zinc/13/43/36/180134336.db2.gz KKFVMJMMHPOAII-HNNXBMFYSA-N 1 0 295.471 2.228 10 0 CEAERO CCC(CC)C[N@H+](CC)[C@H](CN)CC(=O)NC(C)(C)C ZINC000091321246 180134612 /nfs/dbraw/zinc/13/46/12/180134612.db2.gz ZTODSMKHWZIWST-AWEZNQCLSA-N 1 0 285.476 2.377 10 0 CEAERO [NH3+]C[C@H](CC(=O)N1CCCCC1)Nc1cccc(Cl)c1 ZINC000091325621 180135139 /nfs/dbraw/zinc/13/51/39/180135139.db2.gz DVSLEHHJZYVLOA-AWEZNQCLSA-N 1 0 295.814 2.482 10 0 CEAERO [NH3+]C[C@H](CC(=O)N1CCCCC1)Nc1ccccc1Cl ZINC000091325650 180135230 /nfs/dbraw/zinc/13/52/30/180135230.db2.gz ZYGWEYXTUPBTNX-LBPRGKRZSA-N 1 0 295.814 2.482 10 0 CEAERO COc1ccc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3[NH2+]2)cn1 ZINC000091358868 180140586 /nfs/dbraw/zinc/14/05/86/180140586.db2.gz UKXMWRCZGZKCRR-XBFCOCLRSA-N 1 0 289.379 2.340 10 0 CEAERO O=C(NCc1nccs1)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091360590 180141249 /nfs/dbraw/zinc/14/12/49/180141249.db2.gz QMWQZTTWKHRAPB-SRVKXCTJSA-N 1 0 279.409 2.070 10 0 CEAERO CC[C@H](C)CNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091361081 180141288 /nfs/dbraw/zinc/14/12/88/180141288.db2.gz ADZBFDWJOFDVMU-XUXIUFHCSA-N 1 0 252.402 2.460 10 0 CEAERO C[C@H](CO)CSc1c(C(N)=[NH2+])cnc2ccccc21 ZINC000091256589 180115576 /nfs/dbraw/zinc/11/55/76/180115576.db2.gz WVLYVELAJYYDKH-SECBINFHSA-N 1 0 275.377 2.239 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2OC[C@@H]1SC[C@@H](C)CO ZINC000091261451 180116085 /nfs/dbraw/zinc/11/60/85/180116085.db2.gz BABSFVVCXIZWRC-TUKIKUTGSA-N 1 0 281.421 2.460 10 0 CEAERO C[C@@H](CCO)Sc1cc(C(N)=[NH2+])c2ccccc2n1 ZINC000091263997 180116417 /nfs/dbraw/zinc/11/64/17/180116417.db2.gz HXZGHHYODNXNGO-VIFPVBQESA-N 1 0 275.377 2.382 10 0 CEAERO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1cncn1C1CC1 ZINC000091275022 180118447 /nfs/dbraw/zinc/11/84/47/180118447.db2.gz JOLKGVPDVACDJK-CQSZACIVSA-N 1 0 271.368 2.119 10 0 CEAERO CC(C)N1CCCC[C@H]([NH3+])[C@@H]1c1cncn1C1CC1 ZINC000091275673 180119046 /nfs/dbraw/zinc/11/90/46/180119046.db2.gz SGOUCLWIODQYHM-DZGCQCFKSA-N 1 0 262.401 2.481 10 0 CEAERO CCN([C@H](C[NH3+])c1cncn1C1CC1)C1CCCC1 ZINC000091276254 180119967 /nfs/dbraw/zinc/11/99/67/180119967.db2.gz HAIVJXBLRSOCQC-CQSZACIVSA-N 1 0 262.401 2.482 10 0 CEAERO CCCN(CC1CC1)[C@H](C[NH3+])c1cncn1C1CC1 ZINC000091276372 180120371 /nfs/dbraw/zinc/12/03/71/180120371.db2.gz WCBAQBSWZCOFQM-CQSZACIVSA-N 1 0 262.401 2.340 10 0 CEAERO Cn1ncnc1C[C@H]([NH3+])CSc1ccccc1Cl ZINC000091279017 180120982 /nfs/dbraw/zinc/12/09/82/180120982.db2.gz KYNGBXFAZSHAJS-VIFPVBQESA-N 1 0 282.800 2.131 10 0 CEAERO C[C@@H](C[NH2+][C@@H](c1ccccc1)C1CC1)N1CCOCC1 ZINC000091281162 180121188 /nfs/dbraw/zinc/12/11/88/180121188.db2.gz ORHRKYVQWMUTFG-YOEHRIQHSA-N 1 0 274.408 2.448 10 0 CEAERO COc1ccc(NC(=O)C[C@H]2CSCC[NH2+]2)cc1C ZINC000091290501 180122054 /nfs/dbraw/zinc/12/20/54/180122054.db2.gz KQKVUKFMIMMVQT-LBPRGKRZSA-N 1 0 280.393 2.037 10 0 CEAERO FC(F)(F)CN(CC[C@@H]1CSCC[NH2+]1)C1CC1 ZINC000091292173 180123400 /nfs/dbraw/zinc/12/34/00/180123400.db2.gz OYCQBSNZNZVXLA-SECBINFHSA-N 1 0 268.348 2.108 10 0 CEAERO CN(CC[C@H]1CSCC[NH2+]1)c1ccc(F)cc1 ZINC000091292212 180123424 /nfs/dbraw/zinc/12/34/24/180123424.db2.gz YAYQBUJXHCYYFG-LBPRGKRZSA-N 1 0 254.374 2.357 10 0 CEAERO C[C@@H]([NH2+]C1CC(O)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000091431095 180153464 /nfs/dbraw/zinc/15/34/64/180153464.db2.gz ISQZOQWTVUSVDI-IWMBGFJWSA-N 1 0 298.427 2.135 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(c2nc3c(s2)CCC[C@@H]3O)C1 ZINC000091432675 180153684 /nfs/dbraw/zinc/15/36/84/180153684.db2.gz FCLVFZKQXREECE-MNOVXSKESA-N 1 0 281.425 2.043 10 0 CEAERO CC1(C)Cc2cccc(Oc3cncc(C[NH3+])n3)c2O1 ZINC000091434281 180154379 /nfs/dbraw/zinc/15/43/79/180154379.db2.gz YUKKQRSKWPHWOZ-UHFFFAOYSA-N 1 0 271.320 2.441 10 0 CEAERO CC(C)[NH2+]Cc1cncc(O[C@@H](C)C(F)(F)F)n1 ZINC000091435609 180154514 /nfs/dbraw/zinc/15/45/14/180154514.db2.gz VWXVXURVRKNEJA-QMMMGPOBSA-N 1 0 263.263 2.304 10 0 CEAERO CCC[C@@]1(Cc2ncnn2CC(C)C)CCC[NH2+]1 ZINC000091445376 180156695 /nfs/dbraw/zinc/15/66/95/180156695.db2.gz WAMVSTUCPLILKF-AWEZNQCLSA-N 1 0 250.390 2.399 10 0 CEAERO CCOc1ccc(C(C)=O)cc1C[N@H+](C)CC1CC(O)C1 ZINC000091451375 180158685 /nfs/dbraw/zinc/15/86/85/180158685.db2.gz WUIDCFYKQPAHQZ-UHFFFAOYSA-N 1 0 291.391 2.491 10 0 CEAERO [NH3+]CC1CC(OCc2ccn(-c3ccccc3)n2)C1 ZINC000091451793 180159182 /nfs/dbraw/zinc/15/91/82/180159182.db2.gz NZHZMJRIDKOCHJ-UHFFFAOYSA-N 1 0 257.337 2.126 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1cccc(Cl)c1)N(C)CC1CC(O)C1 ZINC000091459703 180160611 /nfs/dbraw/zinc/16/06/11/180160611.db2.gz CCTTUMPSUGGASJ-RBJWDRSHSA-N 1 0 282.815 2.431 10 0 CEAERO Cc1ccc([C@H]([C@@H](C)N)[N@H+](C)CC2CC(O)C2)cc1 ZINC000091464196 180162962 /nfs/dbraw/zinc/16/29/62/180162962.db2.gz HMVHNTAXYSBWTJ-XCAIRMDXSA-N 1 0 262.397 2.086 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccc(Cl)s1)N(C)CC1CC(O)C1 ZINC000091464590 180163305 /nfs/dbraw/zinc/16/33/05/180163305.db2.gz HWWUGMHDDLVULQ-JOGKNCMKSA-N 1 0 288.844 2.493 10 0 CEAERO O[C@@H](C[NH2+]C1CC1)Cc1ccc(OC(F)(F)F)cc1 ZINC000091469473 180164813 /nfs/dbraw/zinc/16/48/13/180164813.db2.gz UZSSBYQSFQCROS-LLVKDONJSA-N 1 0 275.270 2.241 10 0 CEAERO Cc1cc([C@H]2[C@H](C[NH3+])OCCN2C)ccc1Br ZINC000091475414 180165313 /nfs/dbraw/zinc/16/53/13/180165313.db2.gz UUOMLLGSUSSNFP-STQMWFEESA-N 1 0 299.212 2.088 10 0 CEAERO CCCS(=O)(=O)c1ccc(N(C)CC2CC([NH3+])C2)cc1 ZINC000091472005 180165435 /nfs/dbraw/zinc/16/54/35/180165435.db2.gz ODJLEMFKPCWKRE-UHFFFAOYSA-N 1 0 296.436 2.044 10 0 CEAERO CC1(C)C(C(=O)Nc2nc3c(s2)C[NH2+]CC3)C1(C)C ZINC000091492627 180170657 /nfs/dbraw/zinc/17/06/57/180170657.db2.gz UTOBYDJBONWBTM-UHFFFAOYSA-N 1 0 279.409 2.410 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)Nc1cccc(F)c1 ZINC000091496748 180172343 /nfs/dbraw/zinc/17/23/43/180172343.db2.gz ATOKJZWFNQOLAN-BXKDBHETSA-N 1 0 251.305 2.088 10 0 CEAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000091376729 180144293 /nfs/dbraw/zinc/14/42/93/180144293.db2.gz NJRIAYBEDZAZKN-SUHUHFCYSA-N 1 0 282.409 2.173 10 0 CEAERO CC[NH2+][C@@H](C)C(C)(C)CN1CCN(CC(F)(F)F)CC1 ZINC000091404757 180147019 /nfs/dbraw/zinc/14/70/19/180147019.db2.gz ZEDQCHKMSNCBAM-LBPRGKRZSA-N 1 0 295.393 2.191 10 0 CEAERO COc1ccc([C@@H](C)[NH2+]CC2CC(O)C2)c(F)c1 ZINC000091415520 180149616 /nfs/dbraw/zinc/14/96/16/180149616.db2.gz PMFXAZFTMCDFKS-KPPDAEKUSA-N 1 0 253.317 2.256 10 0 CEAERO CCN(c1cccc(F)c1)c1cncc(C[NH2+]C)n1 ZINC000091419891 180150763 /nfs/dbraw/zinc/15/07/63/180150763.db2.gz SYHLTMKCVMSIGX-UHFFFAOYSA-N 1 0 260.316 2.493 10 0 CEAERO Cc1nn(-c2cncc(C[NH2+]C(C)(C)C)n2)c(C)c1C ZINC000091422443 180151399 /nfs/dbraw/zinc/15/13/99/180151399.db2.gz NGCYRRZBEHGCJM-UHFFFAOYSA-N 1 0 273.384 2.476 10 0 CEAERO CCCn1ccnc1[C@@](C)(O)CC[NH2+]CC(C)C ZINC000091502883 180175352 /nfs/dbraw/zinc/17/53/52/180175352.db2.gz CICWCHHFUQIALR-AWEZNQCLSA-N 1 0 253.390 2.136 10 0 CEAERO CCn1ccnc1[C@@H](O)C(C)(C)[NH+]1CCCCC1 ZINC000091563990 180193029 /nfs/dbraw/zinc/19/30/29/180193029.db2.gz CWMUCYUHEBHYMS-GFCCVEGCSA-N 1 0 251.374 2.201 10 0 CEAERO Cc1cc([C@H](C)[NH2+][C@H]2CC(=O)N(C3CC3)C2=O)c(C)s1 ZINC000105076692 186041423 /nfs/dbraw/zinc/04/14/23/186041423.db2.gz JAHJLDSDXWBWHD-ZANVPECISA-N 1 0 292.404 2.305 10 0 CEAERO Cc1ccc(C)c(C[C@H]([NH3+])C(C)(C)N2CCOCC2)c1 ZINC000091566269 180193871 /nfs/dbraw/zinc/19/38/71/180193871.db2.gz RGQLFPLGCPVPMK-INIZCTEOSA-N 1 0 276.424 2.284 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)NC[C@@H](C)[N@H+](C)C2CC2)o1 ZINC000105087026 186041499 /nfs/dbraw/zinc/04/14/99/186041499.db2.gz IADNSBCEAPFQJA-ZYHUDNBSSA-N 1 0 279.384 2.431 10 0 CEAERO CCc1nn(C)c(C[C@H](N)[C@](C)(CC)[NH+](C)C)c1Cl ZINC000091569786 180195564 /nfs/dbraw/zinc/19/55/64/180195564.db2.gz RUMSPCWBHPXYBE-JSGCOSHPSA-N 1 0 286.851 2.236 10 0 CEAERO CC[C@](C)([C@@H](N)c1ccc2c(c1)OCCO2)[NH+](C)C ZINC000091569883 180195661 /nfs/dbraw/zinc/19/56/61/180195661.db2.gz XPGWPINFESZMKG-LSDHHAIUSA-N 1 0 264.369 2.188 10 0 CEAERO CC[C@@](C)([C@@H](Cc1csc(C)n1)[NH2+]C)N(C)C ZINC000091570612 180195670 /nfs/dbraw/zinc/19/56/70/180195670.db2.gz HHXMJNURGVSMAK-OLZOCXBDSA-N 1 0 255.431 2.312 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@H](O)Cc1cccnc1N ZINC000091573220 180196034 /nfs/dbraw/zinc/19/60/34/180196034.db2.gz CNDKRFHGYHGBOX-HIFRSBDPSA-N 1 0 265.401 2.078 10 0 CEAERO CCC[NH2+][C@@H](c1cccnc1N)[C@](C)(CC)N(C)C ZINC000091572278 180196060 /nfs/dbraw/zinc/19/60/60/180196060.db2.gz BZABSHFBYWVNTF-ZFWWWQNUSA-N 1 0 264.417 2.435 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@H](O)Cc1ccncc1 ZINC000091573321 180196116 /nfs/dbraw/zinc/19/61/16/180196116.db2.gz ANNAHJGJMXYIPZ-HUUCEWRRSA-N 1 0 250.386 2.496 10 0 CEAERO CCc1cc(C[C@@H](O)[C@@](C)(CC)[NH+](CC)CC)n(C)n1 ZINC000091572957 180196298 /nfs/dbraw/zinc/19/62/98/180196298.db2.gz ROHQDDYMIJILRV-HZPDHXFCSA-N 1 0 281.444 2.396 10 0 CEAERO CCn1cc([C@H](N)[C@](C)(CC)[NH+](CC)CC)cn1 ZINC000091574014 180197267 /nfs/dbraw/zinc/19/72/67/180197267.db2.gz VRONZBIXZIEZQN-KBPBESRZSA-N 1 0 252.406 2.413 10 0 CEAERO CC(C)c1nn(C)c(NC[C@@H]2CCCC[N@@H+]2C)c1N ZINC000091580890 180199112 /nfs/dbraw/zinc/19/91/12/180199112.db2.gz JXHWDLZRBGZCMJ-NSHDSACASA-N 1 0 265.405 2.022 10 0 CEAERO CC[C@@](C)(C(=O)c1c(C)ccnc1N)[NH+]1CCCC1 ZINC000091601750 180203029 /nfs/dbraw/zinc/20/30/29/180203029.db2.gz UCDQZYVMZZURCA-HNNXBMFYSA-N 1 0 261.369 2.419 10 0 CEAERO CC[C@](C)([C@H](Cc1ncnn1C(C)C)[NH2+]C)N1CCCC1 ZINC000091607031 180203905 /nfs/dbraw/zinc/20/39/05/180203905.db2.gz DRSIPJOFJCNQDP-GOEBONIOSA-N 1 0 293.459 2.254 10 0 CEAERO CC[C@@](C)([C@@H](N)c1cncc(F)c1)[NH+]1CCCC1 ZINC000091605632 180204598 /nfs/dbraw/zinc/20/45/98/180204598.db2.gz LHVJEPGXHIFTCA-KBPBESRZSA-N 1 0 251.349 2.485 10 0 CEAERO CC[C@](C)([C@@H](O)Cc1cccs1)[NH+]1CCOCC1 ZINC000091611356 180206687 /nfs/dbraw/zinc/20/66/87/180206687.db2.gz WVLFBFJYGXXAQK-UONOGXRCSA-N 1 0 269.410 2.152 10 0 CEAERO CC[C@@](C)([C@H](Cc1ccsc1)[NH2+]C)N1CCOCC1 ZINC000091612491 180207052 /nfs/dbraw/zinc/20/70/52/180207052.db2.gz OYYCFCKSTXURSE-GJZGRUSLSA-N 1 0 282.453 2.380 10 0 CEAERO CC[C@@](C)([C@H]([NH2+]C)c1cccc(OC)c1)N1CCOCC1 ZINC000091612325 180207323 /nfs/dbraw/zinc/20/73/23/180207323.db2.gz OZKYRICBCGBZQM-SJORKVTESA-N 1 0 292.423 2.457 10 0 CEAERO CC[C@](C)([C@@H](Cc1csc(C)n1)[NH2+]C)N1CCOCC1 ZINC000091612526 180207418 /nfs/dbraw/zinc/20/74/18/180207418.db2.gz IMRNGSQYJWLJOT-HUUCEWRRSA-N 1 0 297.468 2.083 10 0 CEAERO CC[NH2+][C@@H](CC1CCOCC1)[C@@](C)(CC)N1CCOCC1 ZINC000091612800 180207509 /nfs/dbraw/zinc/20/75/09/180207509.db2.gz DNTNBNSRCBXAIQ-DLBZAZTESA-N 1 0 298.471 2.282 10 0 CEAERO CC[NH+](CC)C(CC)(CC)[C@H](O)Cc1cccnc1N ZINC000091615669 180207709 /nfs/dbraw/zinc/20/77/09/180207709.db2.gz OABYZEJWJBASKF-CQSZACIVSA-N 1 0 279.428 2.468 10 0 CEAERO CC[NH+](CC)C(CC)(CC)[C@H](O)c1cnccn1 ZINC000091615621 180207715 /nfs/dbraw/zinc/20/77/15/180207715.db2.gz SGXCYALRMKEUMX-CYBMUJFWSA-N 1 0 251.374 2.411 10 0 CEAERO CC[NH2+][C@@H](c1cncnc1)C(CC)(CC)N(C)C ZINC000091614663 180207718 /nfs/dbraw/zinc/20/77/18/180207718.db2.gz GJMAKANBSXTUDC-ZDUSSCGKSA-N 1 0 250.390 2.248 10 0 CEAERO CCC[NH2+][C@@H](Cc1cnn(C)c1)C(CC)(CC)N(C)C ZINC000091615032 180207902 /nfs/dbraw/zinc/20/79/02/180207902.db2.gz QPDNGHHEEWGEIG-HNNXBMFYSA-N 1 0 280.460 2.451 10 0 CEAERO C[C@@](O)(C[NH3+])Cc1nc2cccc(Cl)c2n1C1CC1 ZINC000091520371 180178424 /nfs/dbraw/zinc/17/84/24/180178424.db2.gz NKIKWHQRTWPPIR-AWEZNQCLSA-N 1 0 279.771 2.277 10 0 CEAERO CCn1nc(C)c(Cl)c1C[C@H](N)C(C)(C)[NH+](C)C ZINC000091528473 180179759 /nfs/dbraw/zinc/17/97/59/180179759.db2.gz KVXXRKZUTXXTHW-NSHDSACASA-N 1 0 272.824 2.075 10 0 CEAERO CC[C@H](C)n1ccc(C[C@H](N)C(C)(C)[NH+](C)C)n1 ZINC000091528390 180180052 /nfs/dbraw/zinc/18/00/52/180180052.db2.gz IFNPDIBCMLUGQE-AAEUAGOBSA-N 1 0 252.406 2.064 10 0 CEAERO CC[NH+](CC)C(C)(C)[C@H](N)Cc1csc(C)n1 ZINC000091530446 180180209 /nfs/dbraw/zinc/18/02/09/180180209.db2.gz XUOQHUJXGNGELB-GFCCVEGCSA-N 1 0 255.431 2.442 10 0 CEAERO CC[NH+](CC)C(C)(C)[C@H](N)c1c(C)ccnc1N ZINC000091530326 180180347 /nfs/dbraw/zinc/18/03/47/180180347.db2.gz WTCITFWZEXWJQH-GFCCVEGCSA-N 1 0 250.390 2.092 10 0 CEAERO CC[NH+](CC)C(C)(C)[C@@H](NC)c1cnccc1N ZINC000091530763 180180863 /nfs/dbraw/zinc/18/08/63/180180863.db2.gz PGCZBIJBTSOXEQ-ZDUSSCGKSA-N 1 0 250.390 2.045 10 0 CEAERO C[NH2+][C@H](c1ccc(OC)cc1OC)C(C)(C)N(C)C ZINC000091528581 180180938 /nfs/dbraw/zinc/18/09/38/180180938.db2.gz LRFOBEGRCPQKQD-CQSZACIVSA-N 1 0 266.385 2.305 10 0 CEAERO CCn1cc([C@H]([NH2+]C)C(C)(C)N2CCCC2)cn1 ZINC000091534843 180182060 /nfs/dbraw/zinc/18/20/60/180182060.db2.gz IXWICGNCVHOVSE-ZDUSSCGKSA-N 1 0 250.390 2.038 10 0 CEAERO CCC[NH2+][C@H](Cc1cccnc1N)C(C)(C)N1CCCC1 ZINC000091536253 180182279 /nfs/dbraw/zinc/18/22/79/180182279.db2.gz XYKMDQURBTVWOA-OAHLLOKOSA-N 1 0 290.455 2.449 10 0 CEAERO CC[NH2+][C@@H](Cc1ccnc(N)c1)C(C)(C)N1CCCC1 ZINC000091535156 180182354 /nfs/dbraw/zinc/18/23/54/180182354.db2.gz LJMGQDXDGAIXMK-AWEZNQCLSA-N 1 0 276.428 2.059 10 0 CEAERO CCC[NH2+][C@@H](c1cncnc1)C(C)(C)N1CCCC1 ZINC000091536144 180182412 /nfs/dbraw/zinc/18/24/12/180182412.db2.gz DEERYJPBWOUVQA-AWEZNQCLSA-N 1 0 262.401 2.392 10 0 CEAERO CC(=O)Nc1cccc([C@H](C)[NH2+]CC2CC(O)C2)c1 ZINC000091538776 180183234 /nfs/dbraw/zinc/18/32/34/180183234.db2.gz HXSBPAYAMHYBPM-VLRKGOCCSA-N 1 0 262.353 2.067 10 0 CEAERO [NH3+]C1CC(CNC(=O)c2ccccc2C(F)(F)F)C1 ZINC000091538466 180183257 /nfs/dbraw/zinc/18/32/57/180183257.db2.gz VFRLCZAVQCXJTF-UHFFFAOYSA-N 1 0 272.270 2.173 10 0 CEAERO CCN(C(=O)[C@H]1CC[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000091543825 180184969 /nfs/dbraw/zinc/18/49/69/180184969.db2.gz MDRGWQBBAHCVQO-JQWIXIFHSA-N 1 0 250.317 2.306 10 0 CEAERO C[C@@H](NC(=O)[C@H]1CC[C@H]([NH3+])C1)c1cccc(F)c1 ZINC000091543775 180185046 /nfs/dbraw/zinc/18/50/46/180185046.db2.gz FGHQTELFUIGRBF-CDMKHQONSA-N 1 0 250.317 2.130 10 0 CEAERO CC(=O)Nc1ccc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc1Cl ZINC000091546626 180186834 /nfs/dbraw/zinc/18/68/34/180186834.db2.gz XDOVUQDDJUZNIO-NXEZZACHSA-N 1 0 295.770 2.364 10 0 CEAERO CCCN1C(=O)C[C@@H]([NH2+][C@@H](C)CCCC(C)C)C1=O ZINC000105028378 186038818 /nfs/dbraw/zinc/03/88/18/186038818.db2.gz CASPHEPUETZHER-QWHCGFSZSA-N 1 0 268.401 2.328 10 0 CEAERO CC(C)c1nn(C)c(NC[C@@H](C)C[NH+]2CCCC2)c1N ZINC000091554877 180189343 /nfs/dbraw/zinc/18/93/43/180189343.db2.gz WHBHVRGKIRADCP-GFCCVEGCSA-N 1 0 279.432 2.270 10 0 CEAERO CCC(CC)([C@@H](O)Cc1ccnc(N)c1)[NH+]1CCCC1 ZINC000091634457 180210527 /nfs/dbraw/zinc/21/05/27/180210527.db2.gz NTIVPCNKLFMLGF-AWEZNQCLSA-N 1 0 277.412 2.222 10 0 CEAERO CCn1ncnc1CC(=O)C(CC)(CC)[NH+]1CCCC1 ZINC000091634310 180210647 /nfs/dbraw/zinc/21/06/47/180210647.db2.gz MJTYKAZDZXDYFL-UHFFFAOYSA-N 1 0 278.400 2.064 10 0 CEAERO CCC(CC)([C@@H](N)c1ccnn1C)[NH+]1CCCC1 ZINC000091634881 180211388 /nfs/dbraw/zinc/21/13/88/180211388.db2.gz YMUOXIRSIBQSIT-ZDUSSCGKSA-N 1 0 250.390 2.075 10 0 CEAERO CCC(CC)([C@H](N)Cc1ncnn1C(C)C)[NH+]1CCCC1 ZINC000091635020 180211510 /nfs/dbraw/zinc/21/15/10/180211510.db2.gz VUZWMSQGOCJZCI-CQSZACIVSA-N 1 0 293.459 2.383 10 0 CEAERO CC[NH+](CC)C1([C@H](N)Cc2cc(C)nn2C)CCCC1 ZINC000091639252 180212135 /nfs/dbraw/zinc/21/21/35/180212135.db2.gz WASGFHUPBCYEID-OAHLLOKOSA-N 1 0 278.444 2.253 10 0 CEAERO CC[NH+](CC)C1([C@@H](NC)c2cncnc2)CCCC1 ZINC000091639445 180212175 /nfs/dbraw/zinc/21/21/75/180212175.db2.gz MULHOKGNTPEABC-AWEZNQCLSA-N 1 0 262.401 2.392 10 0 CEAERO CC[NH+](CC)C1([C@@H](O)Cc2ncnn2C(C)C)CCCC1 ZINC000091638791 180212453 /nfs/dbraw/zinc/21/24/53/180212453.db2.gz JQASRLFIAVNMOT-AWEZNQCLSA-N 1 0 294.443 2.417 10 0 CEAERO CC[NH2+][C@@H](Cc1ncnn1C(C)C)C1(N(C)C)CCCC1 ZINC000091638221 180212554 /nfs/dbraw/zinc/21/25/54/180212554.db2.gz PZZWEAMWEGEJHT-AWEZNQCLSA-N 1 0 293.459 2.254 10 0 CEAERO CN[C@H](c1cnccc1N)C1([NH+]2CCCC2)CCCC1 ZINC000091640916 180213055 /nfs/dbraw/zinc/21/30/55/180213055.db2.gz SZPOKFIHZZPBQK-OAHLLOKOSA-N 1 0 274.412 2.333 10 0 CEAERO CCn1cc([C@H](N)C2([NH+]3CCCC3)CCCC2)cn1 ZINC000091640740 180213383 /nfs/dbraw/zinc/21/33/83/180213383.db2.gz NJECJDUJUUGQTM-AWEZNQCLSA-N 1 0 262.401 2.311 10 0 CEAERO O[C@H](C1CCOCC1)C1([NH+]2CCCC2)CCCC1 ZINC000091640134 180213552 /nfs/dbraw/zinc/21/35/52/180213552.db2.gz ZUVAJBGQOVPLOR-CQSZACIVSA-N 1 0 253.386 2.183 10 0 CEAERO [NH3+][C@@H](CCC(F)(F)F)C1(N2CCOCC2)CCCC1 ZINC000091643088 180213926 /nfs/dbraw/zinc/21/39/26/180213926.db2.gz IJBGJRSEJNIUHM-NSHDSACASA-N 1 0 280.334 2.301 10 0 CEAERO C[NH+](C)C1([C@@H](O)CC2CCOCC2)CCCCC1 ZINC000091646816 180215472 /nfs/dbraw/zinc/21/54/72/180215472.db2.gz OCBPOQZTKANWGT-AWEZNQCLSA-N 1 0 255.402 2.429 10 0 CEAERO CC1CCC([C@H](O)c2cccnc2N)([NH+](C)C)CC1 ZINC000091648491 180216050 /nfs/dbraw/zinc/21/60/50/180216050.db2.gz CLALNXMAPBGRND-GLWUULTISA-N 1 0 263.385 2.208 10 0 CEAERO C[NH2+][C@@H](c1cnn(C)c1)C1(N(C)C)CCC(C)CC1 ZINC000091649194 180216155 /nfs/dbraw/zinc/21/61/55/180216155.db2.gz WAIIWLHNNNWYFB-BLZCZZARSA-N 1 0 264.417 2.191 10 0 CEAERO CCn1cc(C[C@H](N)C2([NH+](C)C)CCC(C)CC2)cn1 ZINC000091648799 180216229 /nfs/dbraw/zinc/21/62/29/180216229.db2.gz IMYBDUJTHRTDDX-SIWZUTFBSA-N 1 0 278.444 2.283 10 0 CEAERO Cc1ccc(C)c(/C=C2/SC(=O)N(CC[NH3+])C2=O)c1 ZINC000105251541 186048906 /nfs/dbraw/zinc/04/89/06/186048906.db2.gz PAPDPDPBHWJUMB-XYOKQWHBSA-N 1 0 276.361 2.298 10 0 CEAERO CCOc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000091666719 180222483 /nfs/dbraw/zinc/22/24/83/180222483.db2.gz JZVHYXGJGJJZPB-ZIAGYGMSSA-N 1 0 278.396 2.067 10 0 CEAERO CC[C@@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)c1nc(C)cs1 ZINC000105307793 186051189 /nfs/dbraw/zinc/05/11/89/186051189.db2.gz CGNXPWDMEXMKPM-NWDGAFQWSA-N 1 0 296.440 2.248 10 0 CEAERO CCc1ccc(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000091714171 180231650 /nfs/dbraw/zinc/23/16/50/180231650.db2.gz QJBJIJGYYKXGKR-HUUCEWRRSA-N 1 0 259.349 2.295 10 0 CEAERO CCCOc1ccc([C@@H]([NH2+]C)[C@@H]2CN(C)CCO2)cc1 ZINC000091718035 180232238 /nfs/dbraw/zinc/23/22/38/180232238.db2.gz WEBDDILCZPWRAF-JKSUJKDBSA-N 1 0 278.396 2.067 10 0 CEAERO CCN[C@H](CC[NH+](CC)CC)c1cnn(CC)c1 ZINC000091716631 180232943 /nfs/dbraw/zinc/23/29/43/180232943.db2.gz MAZYRXMFCNJLPG-CQSZACIVSA-N 1 0 252.406 2.286 10 0 CEAERO CCC[NH2+][C@@H](c1cc(F)ccc1F)[C@H]1CN(C)CCO1 ZINC000091718940 180233196 /nfs/dbraw/zinc/23/31/96/180233196.db2.gz FABJAYPEHIELDT-CABCVRRESA-N 1 0 284.350 2.336 10 0 CEAERO CCC[NH2+][C@@H](c1ccsc1)[C@H]1CN(C)CCO1 ZINC000091718972 180233221 /nfs/dbraw/zinc/23/32/21/180233221.db2.gz WRPVHMUXSGQFCS-OLZOCXBDSA-N 1 0 254.399 2.119 10 0 CEAERO CCC[NH2+][C@@H](c1ccsc1)[C@@H]1CN(C)CCO1 ZINC000091718970 180233665 /nfs/dbraw/zinc/23/36/65/180233665.db2.gz WRPVHMUXSGQFCS-STQMWFEESA-N 1 0 254.399 2.119 10 0 CEAERO CCC[NH2+][C@@H](c1cccc(C)c1)[C@H]1CN(C)CCO1 ZINC000091719204 180234223 /nfs/dbraw/zinc/23/42/23/180234223.db2.gz YCTDZZWNFQSUGW-CVEARBPZSA-N 1 0 262.397 2.366 10 0 CEAERO CC[NH2+][C@@H](Cc1ccn(C2CCCCC2)n1)CN(C)C ZINC000091719788 180234416 /nfs/dbraw/zinc/23/44/16/180234416.db2.gz CSHABEFHDKNRMP-HNNXBMFYSA-N 1 0 278.444 2.471 10 0 CEAERO CSc1ccc([C@H](C)[NH2+][C@@H]2CCOC[C@@H]2O)cc1 ZINC000624235358 350238469 /nfs/dbraw/zinc/23/84/69/350238469.db2.gz JDVFMDAMWHRVSM-GDLCADMTSA-N 1 0 267.394 2.209 10 0 CEAERO Cc1ccc(C)c([C@H]([NH3+])[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000091720649 180236883 /nfs/dbraw/zinc/23/68/83/180236883.db2.gz XHNGWWSPIFXXLO-KBMXLJTQSA-N 1 0 260.381 2.166 10 0 CEAERO CC[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1cccc(F)c1 ZINC000624237696 350240569 /nfs/dbraw/zinc/24/05/69/350240569.db2.gz BRHVHUHFUVKQNK-MELADBBJSA-N 1 0 253.317 2.016 10 0 CEAERO CC(C)(C)c1ccc(CN2C[C@@H]3C[NH2+]CCN3C2=O)cc1 ZINC000091750934 180246190 /nfs/dbraw/zinc/24/61/90/180246190.db2.gz CZVILUSCPRIZLN-HNNXBMFYSA-N 1 0 287.407 2.194 10 0 CEAERO CCC[C@@H](C)NC(=O)Cn1cccc1[C@H](C)[NH2+]CC ZINC000091802208 180258913 /nfs/dbraw/zinc/25/89/13/180258913.db2.gz XKGCWOQOLVFQRM-OLZOCXBDSA-N 1 0 265.401 2.463 10 0 CEAERO CC[NH2+][C@H](C)c1cccn1CC(=O)NC(CC)CC ZINC000091802200 180259168 /nfs/dbraw/zinc/25/91/68/180259168.db2.gz DJZTVOJJBCWFJY-GFCCVEGCSA-N 1 0 265.401 2.463 10 0 CEAERO CCC[NH2+][C@H](CC1CCC1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091722347 180239905 /nfs/dbraw/zinc/23/99/05/180239905.db2.gz MXASSDYROBECRO-BZUAXINKSA-N 1 0 266.429 2.408 10 0 CEAERO CCC[NH2+][C@H](CC(C)C)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091722075 180241037 /nfs/dbraw/zinc/24/10/37/180241037.db2.gz FKGKRYILLBQLHU-RBSFLKMASA-N 1 0 254.418 2.264 10 0 CEAERO Cc1noc(CC[NH2+]Cc2ccccc2Br)n1 ZINC000105469663 186059424 /nfs/dbraw/zinc/05/94/24/186059424.db2.gz XIMWFSNFZQHFKP-UHFFFAOYSA-N 1 0 296.168 2.473 10 0 CEAERO CCN(C(=O)c1cc(OC)ccc1O)C1CCC([NH3+])CC1 ZINC000091850114 180272424 /nfs/dbraw/zinc/27/24/24/180272424.db2.gz MNIGPKYAISSRGG-UHFFFAOYSA-N 1 0 292.379 2.133 10 0 CEAERO CCc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@H]1COC ZINC000091861592 180275281 /nfs/dbraw/zinc/27/52/81/180275281.db2.gz SKJAAFDRCDSSJL-JTQLQIEISA-N 1 0 271.792 2.247 10 0 CEAERO Cc1cccc(NC(=O)Cn2ccc([C@H](C)[NH3+])c2)c1 ZINC000091803356 180259755 /nfs/dbraw/zinc/25/97/55/180259755.db2.gz YHPRMIBQWWPVLL-LBPRGKRZSA-N 1 0 257.337 2.455 10 0 CEAERO CCC[NH2+][C@@H](C)c1cccn1CC(=O)N(C)CC ZINC000091802978 180259961 /nfs/dbraw/zinc/25/99/61/180259961.db2.gz LDKTXOXVYDDAAM-LBPRGKRZSA-N 1 0 251.374 2.027 10 0 CEAERO C[C@H]([NH3+])c1ccn(CC(=O)Nc2cccc(F)c2)c1 ZINC000091803766 180260099 /nfs/dbraw/zinc/26/00/99/180260099.db2.gz FJDHDOMOFBTNKT-JTQLQIEISA-N 1 0 261.300 2.286 10 0 CEAERO CCC[C@@H](C)NC(=O)Cn1ccc([C@@H](C)[NH2+]CC)c1 ZINC000091805640 180260468 /nfs/dbraw/zinc/26/04/68/180260468.db2.gz RKUJZUCIRZDIDA-CHWSQXEVSA-N 1 0 265.401 2.463 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccn(CCCS(=O)(=O)CC)c1 ZINC000091806718 180261003 /nfs/dbraw/zinc/26/10/03/180261003.db2.gz FQQDFMLEQHHTHA-ZDUSSCGKSA-N 1 0 286.441 2.374 10 0 CEAERO CCC[NH2+][C@H](CC)c1ccn(CCC(=O)NCC)c1 ZINC000091817982 180262972 /nfs/dbraw/zinc/26/29/72/180262972.db2.gz IQXRCFCEGVASLK-CQSZACIVSA-N 1 0 265.401 2.465 10 0 CEAERO CCC[C@H](C)NC(=O)Cn1ccc([C@H](CC)[NH2+]C)c1 ZINC000091816978 180263216 /nfs/dbraw/zinc/26/32/16/180263216.db2.gz SKEORQBPUNHHRW-JSGCOSHPSA-N 1 0 265.401 2.463 10 0 CEAERO CCC[C@H]([NH2+]C)c1ccn(CCOCCOC)c1 ZINC000091821931 180263928 /nfs/dbraw/zinc/26/39/28/180263928.db2.gz SWFBDIBROXALQK-AWEZNQCLSA-N 1 0 254.374 2.212 10 0 CEAERO CCC[C@@H]([NH2+]C)c1ccn(CCCC(=O)NC)c1 ZINC000091821846 180263999 /nfs/dbraw/zinc/26/39/99/180263999.db2.gz WNCHRUXFGJCNGN-CYBMUJFWSA-N 1 0 251.374 2.075 10 0 CEAERO CCC[NH2+][C@@H](CCC)c1ccn(CCC(=O)NC)c1 ZINC000091823576 180264161 /nfs/dbraw/zinc/26/41/61/180264161.db2.gz FKQIPDSHJPFVJU-AWEZNQCLSA-N 1 0 265.401 2.465 10 0 CEAERO CCC[NH2+][C@@H](c1ccn(C[C@H](C)C(N)=O)c1)C(C)C ZINC000091828193 180264941 /nfs/dbraw/zinc/26/49/41/180264941.db2.gz QEMDEJXLWLXXLO-GXTWGEPZSA-N 1 0 265.401 2.306 10 0 CEAERO CCNC(=O)CCn1ccc([C@H]([NH2+]CC)C2CC2)c1 ZINC000091838257 180267707 /nfs/dbraw/zinc/26/77/07/180267707.db2.gz SOHVRDNLHUKNGJ-OAHLLOKOSA-N 1 0 263.385 2.075 10 0 CEAERO CCC[NH2+][C@H](c1ccn(CC(=O)N(C)C)c1)C1CC1 ZINC000091838842 180268193 /nfs/dbraw/zinc/26/81/93/180268193.db2.gz HWSAQBBCRXZKQZ-HNNXBMFYSA-N 1 0 263.385 2.027 10 0 CEAERO Cc1cccc(N(CCC[NH3+])C(=O)N2CCCC2)c1 ZINC000091962946 180293305 /nfs/dbraw/zinc/29/33/05/180293305.db2.gz HMSQQGOKHKENOF-UHFFFAOYSA-N 1 0 261.369 2.366 10 0 CEAERO O[C@@H](C[NH2+]C[C@@H]1Cc2ccccc21)COCc1ccco1 ZINC000090992454 539792268 /nfs/dbraw/zinc/79/22/68/539792268.db2.gz DZDRWCFMOKLEQP-GJZGRUSLSA-N 1 0 287.359 2.087 10 0 CEAERO CCN(C(=O)N1CCCCC1)C1(C[NH3+])CCCC1 ZINC000091969110 180294585 /nfs/dbraw/zinc/29/45/85/180294585.db2.gz OJVCXUMUVXQRPN-UHFFFAOYSA-N 1 0 253.390 2.186 10 0 CEAERO C[NH2+]C1CCC(Nc2ccc(C(N)=O)cc2Cl)CC1 ZINC000091873518 180278116 /nfs/dbraw/zinc/27/81/16/180278116.db2.gz XJZQQMGXPYFSOQ-UHFFFAOYSA-N 1 0 281.787 2.381 10 0 CEAERO C[NH2+]C1CCC(NC(=O)c2sccc2C)CC1 ZINC000091871602 180278169 /nfs/dbraw/zinc/27/81/69/180278169.db2.gz QWVCIDFVIDJTSE-UHFFFAOYSA-N 1 0 252.383 2.317 10 0 CEAERO CCOC(=O)c1cccnc1NC1CCC([NH2+]C)CC1 ZINC000091873396 180278221 /nfs/dbraw/zinc/27/82/21/180278221.db2.gz GCPNBZHFURMOJQ-UHFFFAOYSA-N 1 0 277.368 2.201 10 0 CEAERO CC[C@@](O)(C(C)C)[C@@]1(C[NH3+])COc2ccccc2C1 ZINC000091906665 180284275 /nfs/dbraw/zinc/28/42/75/180284275.db2.gz OCGXGPJZYIGFBD-JKSUJKDBSA-N 1 0 263.381 2.364 10 0 CEAERO CC[C@](O)(C(C)C)[C@]1(C[NH3+])CCOc2ccccc21 ZINC000091906648 180284303 /nfs/dbraw/zinc/28/43/03/180284303.db2.gz FZERNXJNHUVXAV-HOTGVXAUSA-N 1 0 263.381 2.463 10 0 CEAERO CC[C@@](C)(C[NH3+])[C@@H](O)c1ccc(OC)c(OC)c1 ZINC000091908875 180284578 /nfs/dbraw/zinc/28/45/78/180284578.db2.gz BHMDDMBHKDENHU-KBPBESRZSA-N 1 0 253.342 2.112 10 0 CEAERO [NH3+]C[C@@]1([C@@H](O)c2ccccc2)COc2ccccc2C1 ZINC000091909523 180284596 /nfs/dbraw/zinc/28/45/96/180284596.db2.gz CKYFQTCXCBSWDM-DLBZAZTESA-N 1 0 269.344 2.300 10 0 CEAERO CC[C@](C)(C[NH3+])[C@H](O)c1ccc(OC)c(OC)c1 ZINC000091908874 180284836 /nfs/dbraw/zinc/28/48/36/180284836.db2.gz BHMDDMBHKDENHU-ZIAGYGMSSA-N 1 0 253.342 2.112 10 0 CEAERO CC[C@](C)(C[NH3+])[C@@H](O)c1ccc(OC)c(OC)c1OC ZINC000091910882 180285249 /nfs/dbraw/zinc/28/52/49/180285249.db2.gz SKFVYSSTJVCQMA-LSDHHAIUSA-N 1 0 283.368 2.121 10 0 CEAERO [NH3+]CC1([C@H](O)[C@@H]2CC=CCC2)Cc2ccccc2C1 ZINC000091913904 180285256 /nfs/dbraw/zinc/28/52/56/180285256.db2.gz UMKMRCVPALBKMK-CZUORRHYSA-N 1 0 257.377 2.448 10 0 CEAERO [NH3+]C[C@@]1([C@H](O)c2cccnc2)CCc2ccccc2C1 ZINC000091910115 180285298 /nfs/dbraw/zinc/28/52/98/180285298.db2.gz SJUWYVMNMQZLLF-IAGOWNOFSA-N 1 0 268.360 2.249 10 0 CEAERO CC(C)(C)C[C@@H](O)[C@@]1(C[NH3+])CCOc2ccccc21 ZINC000091918054 180285640 /nfs/dbraw/zinc/28/56/40/180285640.db2.gz QPSPMNWUASSURC-GDBMZVCRSA-N 1 0 263.381 2.463 10 0 CEAERO CC[C@@H]1CCC[C@](C[NH3+])(C2(O)CCC(=O)CC2)C1 ZINC000091924625 180287104 /nfs/dbraw/zinc/28/71/04/180287104.db2.gz GTAALNJZFYAZLA-OCCSQVGLSA-N 1 0 253.386 2.406 10 0 CEAERO CCCn1cncc1[C@@H](O)C1(C[NH3+])Cc2ccccc2C1 ZINC000091926439 180287259 /nfs/dbraw/zinc/28/72/59/180287259.db2.gz BNGSDNAKHDBGTO-MRXNPFEDSA-N 1 0 285.391 2.070 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H](C)Cc2ccc(C)s2)C1 ZINC000092052874 180312752 /nfs/dbraw/zinc/31/27/52/180312752.db2.gz MNYRGTJQSOQMMA-GXTWGEPZSA-N 1 0 282.453 2.298 10 0 CEAERO CCN1CCO[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC000092052610 180312831 /nfs/dbraw/zinc/31/28/31/180312831.db2.gz YJYISFNYCBWODM-OAHLLOKOSA-N 1 0 252.402 2.187 10 0 CEAERO CC[NH2+][C@@H](CC)c1ccccc1OC[C@H]1CN(C)CCO1 ZINC000092054155 180312843 /nfs/dbraw/zinc/31/28/43/180312843.db2.gz CFMZFUPOXKRWKR-ZBFHGGJFSA-N 1 0 292.423 2.457 10 0 CEAERO CN1CCO[C@H](COC2(C[NH3+])CCC(C(C)(C)C)CC2)C1 ZINC000092053568 180313130 /nfs/dbraw/zinc/31/31/30/180313130.db2.gz CKFJDZDFMSDZHF-CKDBGZEDSA-N 1 0 298.471 2.267 10 0 CEAERO CN1CCO[C@H](COc2ccc(C[NH2+]C(C)(C)C)cc2)C1 ZINC000092054497 180314071 /nfs/dbraw/zinc/31/40/71/180314071.db2.gz NXVZDLKPORGERF-INIZCTEOSA-N 1 0 292.423 2.284 10 0 CEAERO C[NH2+][C@@H](C)c1cc(Cl)ccc1OC[C@@H]1CN(C)CCO1 ZINC000092054409 180314208 /nfs/dbraw/zinc/31/42/08/180314208.db2.gz SEFSREZQGYWUGJ-AAEUAGOBSA-N 1 0 298.814 2.330 10 0 CEAERO CN(C(=O)N1CCCCCC1)[C@H]1CCC[C@H]1C[NH3+] ZINC000091971704 180295502 /nfs/dbraw/zinc/29/55/02/180295502.db2.gz RZNKMTFDICXSSH-STQMWFEESA-N 1 0 253.390 2.042 10 0 CEAERO NC(=[NH2+])COc1cccc(NC(=O)N2CCCCCC2)c1 ZINC000091972021 180295590 /nfs/dbraw/zinc/29/55/90/180295590.db2.gz ZHANYGFAHZVJOM-UHFFFAOYSA-N 1 0 290.367 2.409 10 0 CEAERO CCN(C)C(=O)N(CCC[NH3+])c1ccccc1F ZINC000091972567 180295891 /nfs/dbraw/zinc/29/58/91/180295891.db2.gz JMVGEMRJYGYVEL-UHFFFAOYSA-N 1 0 253.321 2.053 10 0 CEAERO CC1CCN(C(=O)N2[C@@H](C)CCC[C@H]2C[NH3+])CC1 ZINC000091991223 180300056 /nfs/dbraw/zinc/30/00/56/180300056.db2.gz QNHIIFPCCALEJC-STQMWFEESA-N 1 0 253.390 2.040 10 0 CEAERO CCCN(C(=O)N1CCC[C@H](C)C1)C1CC[NH2+]CC1 ZINC000091990694 180300076 /nfs/dbraw/zinc/30/00/76/180300076.db2.gz FOTGLDPUEVCYSY-ZDUSSCGKSA-N 1 0 267.417 2.302 10 0 CEAERO CC1CCN(C(=O)N[C@H]2c3ccccc3C[C@@H]2[NH3+])CC1 ZINC000091993158 180300350 /nfs/dbraw/zinc/30/03/50/180300350.db2.gz HSLQLURAHGSVQR-GJZGRUSLSA-N 1 0 273.380 2.053 10 0 CEAERO CC1CCN(C(=O)Nc2ccc(F)c(C(N)=[NH2+])c2)CC1 ZINC000091993397 180300491 /nfs/dbraw/zinc/30/04/91/180300491.db2.gz NISNQTMSDUJNLM-UHFFFAOYSA-N 1 0 278.331 2.374 10 0 CEAERO C[C@@H]1CCCN(C(=O)Nc2ccccc2OCC(N)=[NH2+])C1 ZINC000091993382 180300512 /nfs/dbraw/zinc/30/05/12/180300512.db2.gz GMUNQCGFAUYBHE-LLVKDONJSA-N 1 0 290.367 2.265 10 0 CEAERO C[C@@H]1CCCN(C(=O)NCc2ccc(C(N)=[NH2+])cc2F)C1 ZINC000091993324 180300588 /nfs/dbraw/zinc/30/05/88/180300588.db2.gz LVJJUJLCMAEEMN-SNVBAGLBSA-N 1 0 292.358 2.051 10 0 CEAERO C[C@H]1CCCN(C(=O)N(C)c2ccc(C(N)=[NH2+])cc2)C1 ZINC000091993399 180300596 /nfs/dbraw/zinc/30/05/96/180300596.db2.gz MGSIDLYGOQKKCP-NSHDSACASA-N 1 0 274.368 2.259 10 0 CEAERO Cc1ccc(O[C@@H](C)C(=O)N2CCCCCC2)c(C[NH3+])n1 ZINC000091993879 180301360 /nfs/dbraw/zinc/30/13/60/180301360.db2.gz KXYAOXRJDFCDQL-ZDUSSCGKSA-N 1 0 291.395 2.019 10 0 CEAERO CCC[NH2+]Cc1nc(C)ccc1OCC(=O)N(CC)CC ZINC000091995012 180301418 /nfs/dbraw/zinc/30/14/18/180301418.db2.gz HTSGIUYAKZKUQQ-UHFFFAOYSA-N 1 0 293.411 2.137 10 0 CEAERO Cc1ccc(O)c(C[NH2+][C@]2(CO)CCC[C@@H](C)C2)n1 ZINC000091995322 180302112 /nfs/dbraw/zinc/30/21/12/180302112.db2.gz MDOFFPBSJLNLOH-IAQYHMDHSA-N 1 0 264.369 2.126 10 0 CEAERO Cc1ccc(OC[C@@H]2CCCCO2)c(C[C@H](C)[NH3+])n1 ZINC000092000143 180303539 /nfs/dbraw/zinc/30/35/39/180303539.db2.gz XSGLHIOGMPMHDE-AAEUAGOBSA-N 1 0 264.369 2.228 10 0 CEAERO COc1ccccc1OCC[NH2+]CCc1ccccn1 ZINC000105683181 186067670 /nfs/dbraw/zinc/06/76/70/186067670.db2.gz QSHIKKWNBAGLJP-UHFFFAOYSA-N 1 0 272.348 2.301 10 0 CEAERO Cc1cc(N[C@H](CC(C)C)C[NH+](C)C)ncc1N ZINC000092027013 180308725 /nfs/dbraw/zinc/30/87/25/180308725.db2.gz JUIHVKCLWHGEEF-GFCCVEGCSA-N 1 0 250.390 2.360 10 0 CEAERO Cc1cc(C)c(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)cc1C[NH3+] ZINC000092113390 180327356 /nfs/dbraw/zinc/32/73/56/180327356.db2.gz NUWZGSJAGZCOCH-STQMWFEESA-N 1 0 296.436 2.039 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)N1CCc2sccc2[C@@H]1C1CC1 ZINC000092134251 180332014 /nfs/dbraw/zinc/33/20/14/180332014.db2.gz VOMQSRZNMHIDPB-HZMBPMFUSA-N 1 0 278.421 2.439 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1 ZINC000092136278 180333409 /nfs/dbraw/zinc/33/34/09/180333409.db2.gz SSEBPJGPKKXORR-LLVKDONJSA-N 1 0 291.395 2.465 10 0 CEAERO CCn1nc(C)c(Cl)c1C[C@@H]([NH3+])C(C)(C)OC ZINC000092138714 180333473 /nfs/dbraw/zinc/33/34/73/180333473.db2.gz FOBXZOKEYXNMGN-SNVBAGLBSA-N 1 0 259.781 2.160 10 0 CEAERO CCC[NH2+][C@@H](c1cc(C)cnc1N)C(C)(C)OC ZINC000092140052 180333513 /nfs/dbraw/zinc/33/35/13/180333513.db2.gz ATJNYHXENZJYLT-LBPRGKRZSA-N 1 0 251.374 2.438 10 0 CEAERO C[NH2+][C@H]1CCCC[C@H]1c1nc(C(C)(C)OC)no1 ZINC000092141281 180333724 /nfs/dbraw/zinc/33/37/24/180333724.db2.gz XFXTWWYWKYFIQO-ZJUUUORDSA-N 1 0 253.346 2.197 10 0 CEAERO C[NH2+][C@H](C)c1ccc(SC[C@H]2CN(C)CCO2)cc1 ZINC000092080070 180318785 /nfs/dbraw/zinc/31/87/85/180318785.db2.gz JBGUXCZPGXZDPQ-TZMCWYRMSA-N 1 0 280.437 2.390 10 0 CEAERO C[C@H]1C[N@H+](CCC(=O)Nc2ccc(F)cc2N)C[C@H]1C ZINC000092080703 180319021 /nfs/dbraw/zinc/31/90/21/180319021.db2.gz UBJYREARRIFDIP-PHIMTYICSA-N 1 0 279.359 2.324 10 0 CEAERO C[C@H]1CN(c2nc3c(cc2C(N)=[NH2+])CCCC3)C[C@H]1C ZINC000092085664 180320206 /nfs/dbraw/zinc/32/02/06/180320206.db2.gz LCUZTYNWOXSXFH-PHIMTYICSA-N 1 0 272.396 2.337 10 0 CEAERO CCC[NH2+]Cc1c(C)nn(C)c1N1C[C@H](C)[C@H](C)C1 ZINC000092086763 180320572 /nfs/dbraw/zinc/32/05/72/180320572.db2.gz UIPXEYFCWDNXIN-TXEJJXNPSA-N 1 0 264.417 2.320 10 0 CEAERO C[C@H]1C[N@H+](C[C@H](N)c2ccc3c(c2)OCO3)C[C@H]1C ZINC000092084459 180320774 /nfs/dbraw/zinc/32/07/74/180320774.db2.gz HPCZDFHLBYWRBZ-LOWVWBTDSA-N 1 0 262.353 2.003 10 0 CEAERO COc1cc(OC)cc([C@H](C[NH3+])N2C[C@H](C)[C@H](C)C2)c1 ZINC000092083386 180320799 /nfs/dbraw/zinc/32/07/99/180320799.db2.gz ZVTJGNKCEKXMSN-OZVIIMIRSA-N 1 0 278.396 2.291 10 0 CEAERO CC(C)C[NH2+]Cc1cncc(N2C[C@H](C)[C@H](C)C2)n1 ZINC000092089048 180321125 /nfs/dbraw/zinc/32/11/25/180321125.db2.gz CJRHJBKKNKNFRL-BETUJISGSA-N 1 0 262.401 2.314 10 0 CEAERO CCOC(=O)[C@@](C)(CC[N@@H+]1C[C@H](C)[C@H](C)C1)NC(C)C ZINC000092087482 180321183 /nfs/dbraw/zinc/32/11/83/180321183.db2.gz QIDLWWUQOFCAJB-IJEWVQPXSA-N 1 0 284.444 2.284 10 0 CEAERO C[C@H]1CN(CC[NH2+]CCc2cccs2)C[C@H]1C ZINC000092089535 180321357 /nfs/dbraw/zinc/32/13/57/180321357.db2.gz RRCOOTFPYKKNBN-BETUJISGSA-N 1 0 252.427 2.468 10 0 CEAERO C[C@H]1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)C[C@H]1C ZINC000092090503 180322210 /nfs/dbraw/zinc/32/22/10/180322210.db2.gz HZFCZZZDJYATNH-AICCOOGYSA-N 1 0 264.413 2.412 10 0 CEAERO C[C@@H]([NH3+])Cc1c(N2C[C@H](C)[C@H](C)C2)nc2sccn12 ZINC000092090175 180322546 /nfs/dbraw/zinc/32/25/46/180322546.db2.gz WZFWCRDCGOPLIE-OUAUKWLOSA-N 1 0 278.425 2.378 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2cccc3ncccc32)C1 ZINC000092201275 180342875 /nfs/dbraw/zinc/34/28/75/180342875.db2.gz USLCVPSEMNQULR-GHMZBOCLSA-N 1 0 253.305 2.077 10 0 CEAERO CC1(C)Oc2ccc(NC(=O)[C@@H]3C=C[C@H]([NH3+])C3)cc2O1 ZINC000092202485 180343079 /nfs/dbraw/zinc/34/30/79/180343079.db2.gz BMYDQKWYYKCNEA-ZJUUUORDSA-N 1 0 274.320 2.036 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2cccc(Cl)c2F)C1 ZINC000092201823 180343082 /nfs/dbraw/zinc/34/30/82/180343082.db2.gz GOESIJTUKKRLRV-HTQZYQBOSA-N 1 0 254.692 2.321 10 0 CEAERO CSc1ccc([C@H](C)NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)cc1 ZINC000092202973 180343301 /nfs/dbraw/zinc/34/33/01/180343301.db2.gz LEISNFNDGVFKPJ-CYZMBNFOSA-N 1 0 276.405 2.489 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2ccc(Cl)cc2F)C1 ZINC000092203224 180343357 /nfs/dbraw/zinc/34/33/57/180343357.db2.gz NOQKVBPNMXYGDF-VXNVDRBHSA-N 1 0 254.692 2.321 10 0 CEAERO COc1ccc(OC(F)F)c(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)c1 ZINC000092203049 180343411 /nfs/dbraw/zinc/34/34/11/180343411.db2.gz WLADMCUAWGCPKA-DTWKUNHWSA-N 1 0 298.289 2.139 10 0 CEAERO CCCOc1cccc(NC(=O)[C@H]2C=C[C@H]([NH3+])C2)c1 ZINC000092202993 180343551 /nfs/dbraw/zinc/34/35/51/180343551.db2.gz WRBVJQYQDBFXQM-RYUDHWBXSA-N 1 0 260.337 2.317 10 0 CEAERO CCN(Cc1cccs1)C(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092204813 180343719 /nfs/dbraw/zinc/34/37/19/180343719.db2.gz ISOFCJOKYRPEEV-WDEREUQCSA-N 1 0 250.367 2.000 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)N(Cc2ccccc2F)C2CC2)C1 ZINC000092204590 180343866 /nfs/dbraw/zinc/34/38/66/180343866.db2.gz SNOGHIPAAJJMEF-DGCLKSJQSA-N 1 0 274.339 2.220 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2ccc(N3CCCC3)c(F)c2)C1 ZINC000092204252 180343902 /nfs/dbraw/zinc/34/39/02/180343902.db2.gz KONBQANDNTUYPU-VXGBXAGGSA-N 1 0 289.354 2.268 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)NCCCn2ccc3ccccc32)C1 ZINC000092206496 180344383 /nfs/dbraw/zinc/34/43/83/180344383.db2.gz JCWYUPRJQBFOQQ-HUUCEWRRSA-N 1 0 283.375 2.051 10 0 CEAERO COc1c(C[NH+]2CCC(OCC(C)C)CC2)c(C)nn1C ZINC000092223241 180346028 /nfs/dbraw/zinc/34/60/28/180346028.db2.gz AGLYGWAXIXOZGK-UHFFFAOYSA-N 1 0 295.427 2.374 10 0 CEAERO CSc1ccccc1C(=O)N[C@H]1CCC[C@@H]1[NH3+] ZINC000092231995 180348510 /nfs/dbraw/zinc/34/85/10/180348510.db2.gz FHYOFZKZALDWJW-QWRGUYRKSA-N 1 0 250.367 2.018 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1Cc2ccccc2S1 ZINC000092231989 180348555 /nfs/dbraw/zinc/34/85/55/180348555.db2.gz RCUBVHCDBAEHBI-UKRRQHHQSA-N 1 0 290.432 2.304 10 0 CEAERO CCN(C(=O)[C@@H]1Cc2ccccc2S1)[C@H]1CCC[NH2+]C1 ZINC000092232138 180348566 /nfs/dbraw/zinc/34/85/66/180348566.db2.gz BSPAITFZCXIKAU-ZFWWWQNUSA-N 1 0 290.432 2.304 10 0 CEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C(=O)c1ccc(SC)cc1 ZINC000092232581 180349185 /nfs/dbraw/zinc/34/91/85/180349185.db2.gz VBSKCRPLHGKKMO-VHDGCEQUSA-N 1 0 290.432 2.479 10 0 CEAERO CCCN(C(=O)c1ccccc1SC)C1C[NH2+]C1 ZINC000092232505 180349317 /nfs/dbraw/zinc/34/93/17/180349317.db2.gz MHISPPYTDSAWOO-UHFFFAOYSA-N 1 0 264.394 2.233 10 0 CEAERO CN1CCC([NH2+]C[C@H]2Cc3ccccc3S2)CC1 ZINC000092242498 180351287 /nfs/dbraw/zinc/35/12/87/180351287.db2.gz ZBEAQLGFGWVCJN-CQSZACIVSA-N 1 0 262.422 2.387 10 0 CEAERO c1ccc2c(c1)C[C@@H](C[NH2+][C@@H]1CN3CCC1CC3)S2 ZINC000092242333 180351459 /nfs/dbraw/zinc/35/14/59/180351459.db2.gz DRIHMTMYXYWVAZ-LSDHHAIUSA-N 1 0 274.433 2.387 10 0 CEAERO COC(=O)C1CC[NH+](C[C@@H]2COc3ccccc32)CC1 ZINC000092305657 180360465 /nfs/dbraw/zinc/36/04/65/180360465.db2.gz KKGDHZPNCVBLOS-CYBMUJFWSA-N 1 0 275.348 2.048 10 0 CEAERO c1ccc2c(c1)OC[C@@H]2CN1CC[NH2+]CC12CCCC2 ZINC000092307266 180360824 /nfs/dbraw/zinc/36/08/24/180360824.db2.gz MZHGCIXZPQMOPP-AWEZNQCLSA-N 1 0 272.392 2.381 10 0 CEAERO COCC[NH2+]CCN(C)C[C@@H]1CSc2ccccc21 ZINC000092288495 180357740 /nfs/dbraw/zinc/35/77/40/180357740.db2.gz XIAPIQNUBLBDCD-CYBMUJFWSA-N 1 0 280.437 2.044 10 0 CEAERO C[C@@H]1[NH2+]CCCN(C[C@H]2CSc3ccccc32)C1=O ZINC000092292902 180357936 /nfs/dbraw/zinc/35/79/36/180357936.db2.gz MHBYGXLBLQQZSV-RYUDHWBXSA-N 1 0 276.405 2.086 10 0 CEAERO Cc1nn(C)c(C)c1CN1CC[NH+](CC2CCCC2)CC1 ZINC000105865910 186081191 /nfs/dbraw/zinc/08/11/91/186081191.db2.gz WEENDILXDXQVNO-UHFFFAOYSA-N 1 0 290.455 2.345 10 0 CEAERO CCCC[N@@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000105885616 186082768 /nfs/dbraw/zinc/08/27/68/186082768.db2.gz YEPBKZLTZFLSAZ-CQSZACIVSA-N 1 0 250.390 2.407 10 0 CEAERO CC(C)CC[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000105806995 186073215 /nfs/dbraw/zinc/07/32/15/186073215.db2.gz LPOWRBUINNSADS-UHFFFAOYSA-N 1 0 262.401 2.423 10 0 CEAERO CC[NH2+][C@H](CN1C(=O)C[C@H](C)C1=O)c1ccc(C)cc1 ZINC000105832532 186075686 /nfs/dbraw/zinc/07/56/86/186075686.db2.gz SKFKZRYCPHVHRB-GXTWGEPZSA-N 1 0 274.364 2.041 10 0 CEAERO CCOc1cccc(C[NH2+]CCn2cc(C)cn2)c1 ZINC000105908513 186087398 /nfs/dbraw/zinc/08/73/98/186087398.db2.gz ALWBICKVRHQTHP-UHFFFAOYSA-N 1 0 259.353 2.380 10 0 CEAERO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](CCCOC(C)C)C2)n1 ZINC000105919730 186090134 /nfs/dbraw/zinc/09/01/34/186090134.db2.gz UXYNMJIYKGWWGV-MRXNPFEDSA-N 1 0 294.443 2.422 10 0 CEAERO CCc1nc(COC)nc(CC)c1CC[NH2+]C1CC1 ZINC000092318855 180361589 /nfs/dbraw/zinc/36/15/89/180361589.db2.gz MOZQSNUJTKNOSX-UHFFFAOYSA-N 1 0 263.385 2.042 10 0 CEAERO Cc1nn(-c2cc(F)c(F)cc2F)c(C)c1CC[NH3+] ZINC000092320181 180361753 /nfs/dbraw/zinc/36/17/53/180361753.db2.gz GEVLHTCYOVWTNY-UHFFFAOYSA-N 1 0 269.270 2.408 10 0 CEAERO Cc1noc(C)c1CNC(=O)CC[C@@H](CC[NH3+])C(C)C ZINC000092330273 180364008 /nfs/dbraw/zinc/36/40/08/180364008.db2.gz IGVVBWBZOOLGNF-ZDUSSCGKSA-N 1 0 281.400 2.309 10 0 CEAERO C[C@H]1CN(Cc2ccncc2Br)C[C@@H]1[NH+](C)C ZINC000625275277 350450379 /nfs/dbraw/zinc/45/03/79/350450379.db2.gz MWKIDQBRAUVNGA-GWCFXTLKSA-N 1 0 298.228 2.226 10 0 CEAERO CCC[NH2+][C@@H]1CCN([C@@H](C)c2c(C)noc2C)C1 ZINC000092339733 180365036 /nfs/dbraw/zinc/36/50/36/180365036.db2.gz CKHOEPUUHDSLJJ-WCQYABFASA-N 1 0 251.374 2.426 10 0 CEAERO CCOC(=O)C[C@H](C)[NH2+][C@@H](C)c1c(C)noc1C ZINC000092339387 180365096 /nfs/dbraw/zinc/36/50/96/180365096.db2.gz ZVAZGTQPJZYEKY-IUCAKERBSA-N 1 0 254.330 2.284 10 0 CEAERO Cc1noc(C)c1[C@@H](C)N1CCC[NH2+]C(C)(C)C1 ZINC000092342440 180365533 /nfs/dbraw/zinc/36/55/33/180365533.db2.gz MSGJQDFGLBUOLA-LLVKDONJSA-N 1 0 251.374 2.426 10 0 CEAERO CC[NH2+][C@@H]1CCCN([C@@H](C)c2c(C)noc2C)C1 ZINC000092342062 180365964 /nfs/dbraw/zinc/36/59/64/180365964.db2.gz PLVQEDPVXZDGKR-WCQYABFASA-N 1 0 251.374 2.426 10 0 CEAERO Cc1noc(C)c1[C@H](C)N1CC[C@H]([NH2+]C(C)C)C1 ZINC000092342071 180365987 /nfs/dbraw/zinc/36/59/87/180365987.db2.gz KNLYWXCQUFCKEP-AAEUAGOBSA-N 1 0 251.374 2.425 10 0 CEAERO Cc1noc(C)c1CN1C[C@@H](C2CC2)[NH2+]C[C@@H]1C(C)C ZINC000092342869 180366213 /nfs/dbraw/zinc/36/62/13/180366213.db2.gz GZPFRSDQMXAJQQ-JKSUJKDBSA-N 1 0 277.412 2.500 10 0 CEAERO CCn1cc([C@@]2([NH3+])CCCc3ccc(OC)cc32)cn1 ZINC000092367209 180369092 /nfs/dbraw/zinc/36/90/92/180369092.db2.gz DVARWWHXHJRJMH-INIZCTEOSA-N 1 0 271.364 2.450 10 0 CEAERO OCC[N@H+](Cc1cccc(Cl)n1)C1CCCC1 ZINC000092366445 180369313 /nfs/dbraw/zinc/36/93/13/180369313.db2.gz VKTDCRFYUSBOOC-UHFFFAOYSA-N 1 0 254.761 2.472 10 0 CEAERO CCN(Cc1ccccc1)Cc1cccc(NN)[nH+]1 ZINC000092370105 180369960 /nfs/dbraw/zinc/36/99/60/180369960.db2.gz LORNRGXRQWPBTF-UHFFFAOYSA-N 1 0 256.353 2.389 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1c(C)nn(C)c1Cl ZINC000106378383 186111810 /nfs/dbraw/zinc/11/18/10/186111810.db2.gz BFRFQZXNWWALTH-GFCCVEGCSA-N 1 0 284.835 2.298 10 0 CEAERO CCCC[N@@H+]1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000105893999 186086291 /nfs/dbraw/zinc/08/62/91/186086291.db2.gz YFDJPBSDRCUQAC-AWEZNQCLSA-N 1 0 251.374 2.001 10 0 CEAERO Cc1cccc(Cn2ccnc2C[NH2+]CC(C)C)n1 ZINC000092431562 180384242 /nfs/dbraw/zinc/38/42/42/180384242.db2.gz RDVWIJHQLRJVMV-UHFFFAOYSA-N 1 0 258.369 2.380 10 0 CEAERO C[NH2+][C@@H]1c2cc(OC)ccc2CC[C@@H]1S(=O)(=O)C(C)C ZINC000092388709 180374775 /nfs/dbraw/zinc/37/47/75/180374775.db2.gz XEEXHRGGUTZNMI-LSDHHAIUSA-N 1 0 297.420 2.094 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@H]([S@](=O)CC(C)C)CC2 ZINC000092388889 180375451 /nfs/dbraw/zinc/37/54/51/180375451.db2.gz ZDRIQHAFGLUACM-VCBZYWHSSA-N 1 0 281.421 2.415 10 0 CEAERO C[NH2+][C@H]1c2cc(OC)ccc2CC[C@@H]1SCC(=O)OC ZINC000092389427 180375497 /nfs/dbraw/zinc/37/54/97/180375497.db2.gz QAWQUAOOFPGTJE-ZFWWWQNUSA-N 1 0 295.404 2.177 10 0 CEAERO CC(C)=CCN1CCC([NH2+][C@@H](CO)C(C)C)CC1 ZINC000092392428 180376090 /nfs/dbraw/zinc/37/60/90/180376090.db2.gz QKQPHTINCIYMNF-HNNXBMFYSA-N 1 0 254.418 2.024 10 0 CEAERO Cc1ncc(C[NH2+][C@@H](CO)C(C)C)n1-c1ccccc1 ZINC000092394072 180376383 /nfs/dbraw/zinc/37/63/83/180376383.db2.gz MEDBDWSNHPDNTF-INIZCTEOSA-N 1 0 273.380 2.287 10 0 CEAERO COc1ccc(OC)c([C@@H]2C[NH2+][C@@H](C(C)C)CO2)c1 ZINC000092403446 180378401 /nfs/dbraw/zinc/37/84/01/180378401.db2.gz QQFYWKXTWNOKOP-HIFRSBDPSA-N 1 0 265.353 2.389 10 0 CEAERO CCC[C@H](CC)[NH2+][C@H]1CC(=O)N(C2CCCC2)C1=O ZINC000106534177 186124954 /nfs/dbraw/zinc/12/49/54/186124954.db2.gz QJZRGSVVJPLUSV-AAEUAGOBSA-N 1 0 266.385 2.225 10 0 CEAERO CCC[C@H](CC)[NH2+][C@H]1CC(=O)N([C@@H](C)CC)C1=O ZINC000106534167 186125143 /nfs/dbraw/zinc/12/51/43/186125143.db2.gz YNEVYKMFHRXIAL-SRVKXCTJSA-N 1 0 254.374 2.081 10 0 CEAERO Cc1cccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000092431234 180384206 /nfs/dbraw/zinc/38/42/06/180384206.db2.gz IOUCGOBPPLXJOU-HOCLYGCPSA-N 1 0 259.397 2.354 10 0 CEAERO COCCN(C1CC1)[C@H]1CCc2ccc(OC)cc2[C@@H]1[NH3+] ZINC000092385748 180373456 /nfs/dbraw/zinc/37/34/56/180373456.db2.gz ROHDQWBZHCNHJC-IRXDYDNUSA-N 1 0 290.407 2.121 10 0 CEAERO COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)CS(C)(=O)=O)CCC2 ZINC000092384229 180373730 /nfs/dbraw/zinc/37/37/30/180373730.db2.gz AXBMHSOJQJSSOD-NHYWBVRUSA-N 1 0 297.420 2.095 10 0 CEAERO CCN(CCOC)[C@@H]1CCc2ccc(OC)cc2[C@@H]1[NH2+]C ZINC000092385734 180373799 /nfs/dbraw/zinc/37/37/99/180373799.db2.gz FJTSDRDVDVQVCG-SJORKVTESA-N 1 0 292.423 2.239 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@@H](n1nc(C)nc1C)CC2 ZINC000092386140 180373880 /nfs/dbraw/zinc/37/38/80/180373880.db2.gz LYIBOWQSFVURET-GJZGRUSLSA-N 1 0 272.352 2.091 10 0 CEAERO Cc1ccc(NC(=O)C[NH2+]C(C)(C)C)c(C)c1O ZINC000092460696 180389879 /nfs/dbraw/zinc/38/98/79/180389879.db2.gz ZOMRFGVOXWBNLI-UHFFFAOYSA-N 1 0 250.342 2.336 10 0 CEAERO c1cc2c(c(CN3CC[N@@H+]4CCCC[C@@H]4C3)c1)NCC2 ZINC000130584606 365971426 /nfs/dbraw/zinc/97/14/26/365971426.db2.gz HELIWHHCLWNTNA-MRXNPFEDSA-N 1 0 271.408 2.325 10 0 CEAERO Cc1cccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2CC(O)C3)c1C ZINC000107926949 186197976 /nfs/dbraw/zinc/19/79/76/186197976.db2.gz POLHPYGWNABZJO-YIONKMFJSA-N 1 0 288.391 2.230 10 0 CEAERO CCn1nc(C)c2nc(N)n([C@@H](C)C[NH+]3CCCCC3)c21 ZINC000092591610 180409899 /nfs/dbraw/zinc/40/98/99/180409899.db2.gz WADHZBLIDDLDLJ-NSHDSACASA-N 1 0 290.415 2.190 10 0 CEAERO O=C1C[C@H]([NH2+][C@H]2CCCc3sccc32)C(=O)N1C1CC1 ZINC000108291601 186211927 /nfs/dbraw/zinc/21/19/27/186211927.db2.gz AJKSNWKFWLBHRG-RYUDHWBXSA-N 1 0 290.388 2.005 10 0 CEAERO Cc1csc([C@@H]2CCCN(C(=O)C[C@@H]3CC[NH2+]C3)C2)n1 ZINC000130647906 365976455 /nfs/dbraw/zinc/97/64/55/365976455.db2.gz WRZMLIWWMUAJMR-QWHCGFSZSA-N 1 0 293.436 2.157 10 0 CEAERO C[NH2+][C@@H](C)[C@@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000109503216 186257101 /nfs/dbraw/zinc/25/71/01/186257101.db2.gz PBBNDIDWSNPFHA-ZJUUUORDSA-N 1 0 261.325 2.457 10 0 CEAERO CCOc1cccc(-c2noc(C[C@H](C)[NH2+]C)n2)c1 ZINC000109502887 186257318 /nfs/dbraw/zinc/25/73/18/186257318.db2.gz CNQFLTFTCQDNOU-JTQLQIEISA-N 1 0 261.325 2.286 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1c1nc(Cc2ccc(F)cc2)no1 ZINC000109501339 186257585 /nfs/dbraw/zinc/25/75/85/186257585.db2.gz KEGVGDOQSTVDEX-NWDGAFQWSA-N 1 0 261.300 2.394 10 0 CEAERO COc1cccc(Cc2noc([C@@H]3CCC[C@H]3[NH3+])n2)c1 ZINC000109513083 186258169 /nfs/dbraw/zinc/25/81/69/186258169.db2.gz CEELWUQKEJVXQW-CHWSQXEVSA-N 1 0 273.336 2.264 10 0 CEAERO C[C@@H]([NH3+])CCc1nc(C2(c3ccccc3)CC2)no1 ZINC000109513523 186258216 /nfs/dbraw/zinc/25/82/16/186258216.db2.gz GQENPPXGYQDDLG-LLVKDONJSA-N 1 0 257.337 2.429 10 0 CEAERO C[NH2+][C@H]1CCCC[C@H]1c1nc(Cc2cccnc2)no1 ZINC000109510759 186258367 /nfs/dbraw/zinc/25/83/67/186258367.db2.gz KVBGSPCEABDLBG-OLZOCXBDSA-N 1 0 272.352 2.301 10 0 CEAERO CCC[NH2+][C@H](C)Cc1nc(CC(F)(F)F)no1 ZINC000109517294 186258746 /nfs/dbraw/zinc/25/87/46/186258746.db2.gz YXAZRVAFJPCZLD-SSDOTTSWSA-N 1 0 251.252 2.105 10 0 CEAERO CC[NH2+][C@@H]1CCCCC[C@H]1c1nc(CCOC)no1 ZINC000109516987 186258856 /nfs/dbraw/zinc/25/88/56/186258856.db2.gz BFKGVMCHEVVYSJ-VXGBXAGGSA-N 1 0 267.373 2.284 10 0 CEAERO CCC[NH2+][C@H](CC)Cc1nc(COCCC)no1 ZINC000109519767 186258908 /nfs/dbraw/zinc/25/89/08/186258908.db2.gz ZRWCQZFGPHVUGK-LLVKDONJSA-N 1 0 255.362 2.317 10 0 CEAERO CC(C)[C@@H](c1nc(CC(F)(F)F)no1)[C@H](C)[NH3+] ZINC000109517212 186259480 /nfs/dbraw/zinc/25/94/80/186259480.db2.gz IFVINDLOKXHACN-POYBYMJQSA-N 1 0 251.252 2.261 10 0 CEAERO Cc1ccc(O)c(C(=O)NCc2ccc(C[NH3+])cc2F)c1 ZINC000109540246 186260988 /nfs/dbraw/zinc/26/09/88/186260988.db2.gz YJNRCRWPBBDKON-UHFFFAOYSA-N 1 0 288.322 2.228 10 0 CEAERO COc1ccc(CNC2=[NH+]CCCS2)c(OC)c1 ZINC000109554652 186262672 /nfs/dbraw/zinc/26/26/72/186262672.db2.gz LHPYJNFPECNZIO-UHFFFAOYSA-N 1 0 266.366 2.286 10 0 CEAERO C[C@H](O)c1ccc(N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000109584867 186263642 /nfs/dbraw/zinc/26/36/42/186263642.db2.gz ZPCKOOYNFBWUGK-XJKSGUPXSA-N 1 0 260.381 2.414 10 0 CEAERO C[C@H]([NH3+])c1cc(F)ccc1N1CCCO[C@H](C)C1 ZINC000109571803 186264269 /nfs/dbraw/zinc/26/42/69/186264269.db2.gz SCZWDYCKNGZBLP-MNOVXSKESA-N 1 0 252.333 2.461 10 0 CEAERO C[C@H]1CN(c2cc(C[NH3+])nc3ccccc32)CCCO1 ZINC000109589527 186264631 /nfs/dbraw/zinc/26/46/31/186264631.db2.gz HISOEAXKEAKNOE-LBPRGKRZSA-N 1 0 271.364 2.309 10 0 CEAERO C[N@@H+]1CC[C@@H](NC(=O)c2cc(Cl)c3ccccc3n2)C1 ZINC000109596291 186266010 /nfs/dbraw/zinc/26/60/10/186266010.db2.gz RRSXPAOJASUGKM-SNVBAGLBSA-N 1 0 289.766 2.322 10 0 CEAERO COc1ccccc1NC(=S)N1CCC[C@H]1C[NH+](C)C ZINC000109671241 186268590 /nfs/dbraw/zinc/26/85/90/186268590.db2.gz WRABJVRKGBXQAD-LBPRGKRZSA-N 1 0 293.436 2.418 10 0 CEAERO C[NH+](C)C[C@@H]1CCCN1C(=S)NCCc1ccccc1 ZINC000109670942 186269158 /nfs/dbraw/zinc/26/91/58/186269158.db2.gz AZWXQWQGVBBZPQ-HNNXBMFYSA-N 1 0 291.464 2.130 10 0 CEAERO FC(F)(F)CO[C@H]1CCC[C@@H]([NH2+][C@@H]2CCOC2)C1 ZINC000109430960 186252467 /nfs/dbraw/zinc/25/24/67/186252467.db2.gz UZKCNSKJKQQJOA-MXWKQRLJSA-N 1 0 267.291 2.255 10 0 CEAERO CCCC[C@@H](CC)C(=O)N1CCN([C@H](C[NH3+])CCC)CC1 ZINC000109449308 186253000 /nfs/dbraw/zinc/25/30/00/186253000.db2.gz DIUAORPXVYKKNN-CVEARBPZSA-N 1 0 297.487 2.474 10 0 CEAERO CC[C@H](C(N)=S)[NH+]1CCN(Cc2ccccc2C)CC1 ZINC000109469814 186253575 /nfs/dbraw/zinc/25/35/75/186253575.db2.gz PHNTWVFARNDNJO-OAHLLOKOSA-N 1 0 291.464 2.177 10 0 CEAERO C[C@H](c1noc(C2CCCCC2)n1)N1CC[NH2+]CC1 ZINC000109473958 186254648 /nfs/dbraw/zinc/25/46/48/186254648.db2.gz ODSOSDVHYMRIKI-LLVKDONJSA-N 1 0 264.373 2.084 10 0 CEAERO CCC[C@@H](C(N)=S)[NH+]1CCN(c2nc(C)cs2)CC1 ZINC000109471652 186255142 /nfs/dbraw/zinc/25/51/42/186255142.db2.gz SAUYEKFWUCWTPS-NSHDSACASA-N 1 0 298.481 2.028 10 0 CEAERO CCC[C@@H](c1nc(C)c(C)c(C)n1)N1CC[NH2+]CC1 ZINC000109476098 186255147 /nfs/dbraw/zinc/25/51/47/186255147.db2.gz RQHZTNCCPBGNLL-AWEZNQCLSA-N 1 0 262.401 2.148 10 0 CEAERO C[N@@H+](Cc1ccc2ccccc2n1)C[C@H]1C[C@@H](O)C1 ZINC000626043836 350638285 /nfs/dbraw/zinc/63/82/85/350638285.db2.gz FDLCVVZZFBDAJP-JNSHFYNHSA-N 1 0 256.349 2.438 10 0 CEAERO NC(=S)c1ccc(N2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000110278576 186289644 /nfs/dbraw/zinc/28/96/44/186289644.db2.gz CFLMLVCWGNCDCA-HNNXBMFYSA-N 1 0 289.448 2.385 10 0 CEAERO CCc1nc(N2CC[C@H]([NH+](CC)CC)C2)sc1C=O ZINC000110272186 186289841 /nfs/dbraw/zinc/28/98/41/186289841.db2.gz QPVUULRMPULWGE-NSHDSACASA-N 1 0 281.425 2.439 10 0 CEAERO CC(C)Nc1ccccc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000110417945 186295070 /nfs/dbraw/zinc/29/50/70/186295070.db2.gz RXHXAOVYMYDGCX-ZDUSSCGKSA-N 1 0 275.396 2.283 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccc(C)s1)N1CCNC(=O)C1(C)C ZINC000110653421 186310554 /nfs/dbraw/zinc/31/05/54/186310554.db2.gz NGYZCYNASDARJD-DGCLKSJQSA-N 1 0 295.452 2.045 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](C)c1nc(COc2ccccc2)no1 ZINC000110470193 186298001 /nfs/dbraw/zinc/29/80/01/186298001.db2.gz CPUXGGVDRMSKRH-ZYHUDNBSSA-N 1 0 261.325 2.489 10 0 CEAERO CC[C@H]([NH3+])[C@@H](C)c1nc(COc2ccccc2)no1 ZINC000110470191 186298088 /nfs/dbraw/zinc/29/80/88/186298088.db2.gz CPUXGGVDRMSKRH-PWSUYJOCSA-N 1 0 261.325 2.489 10 0 CEAERO CC[C@]1(c2nc(-c3cccc(C)n3)no2)CCC[NH2+]C1 ZINC000110480728 186298757 /nfs/dbraw/zinc/29/87/57/186298757.db2.gz CCOVXJJIJBEREU-HNNXBMFYSA-N 1 0 272.352 2.471 10 0 CEAERO CCc1nc(-c2ccc3c(c2)OCCO3)[nH+]c(NN)c1C ZINC000110477632 186299217 /nfs/dbraw/zinc/29/92/17/186299217.db2.gz VJWLDNSAFBRJDC-UHFFFAOYSA-N 1 0 286.335 2.071 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(OC)c(CO[C@@H]2CCOC2)c1 ZINC000110526861 186300595 /nfs/dbraw/zinc/30/05/95/186300595.db2.gz VKVMCOBYNLYQCK-SMDDNHRTSA-N 1 0 265.353 2.281 10 0 CEAERO CC[NH2+]C[C@@H](O[C@H]1CCOC1)c1ccc(OC)cc1 ZINC000110529942 186301753 /nfs/dbraw/zinc/30/17/53/186301753.db2.gz VSALLCDCXVAXJX-LSDHHAIUSA-N 1 0 265.353 2.151 10 0 CEAERO C[NH2+][C@H](C)c1cccc(NC(=O)Nc2ncc[nH]2)c1 ZINC000110539010 186302819 /nfs/dbraw/zinc/30/28/19/186302819.db2.gz ZNRCVISYGXHYAS-SECBINFHSA-N 1 0 259.313 2.334 10 0 CEAERO CCN(CC(F)(F)F)C(=O)Cc1ccc(C[NH3+])cc1 ZINC000110613253 186304880 /nfs/dbraw/zinc/30/48/80/186304880.db2.gz HFTYZYXKEQPXLG-UHFFFAOYSA-N 1 0 274.286 2.099 10 0 CEAERO C[C@H]1CCC[C@@H]1NC(=O)CC1CCC(C[NH3+])CC1 ZINC000110618403 186305599 /nfs/dbraw/zinc/30/55/99/186305599.db2.gz VLSNUKKUNUVNDL-ABXWRUBCSA-N 1 0 252.402 2.446 10 0 CEAERO [NH3+]CC1CCC(CC(=O)N2C[C@@H]3CC[C@H]2C3)CC1 ZINC000110618064 186306023 /nfs/dbraw/zinc/30/60/23/186306023.db2.gz LAFJSMLVTNFKLO-PQAZSJQKSA-N 1 0 250.386 2.153 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)Cc2ccc(C[NH3+])cc2)o1 ZINC000110612785 186306028 /nfs/dbraw/zinc/30/60/28/186306028.db2.gz FRKXRPNZUJUQBX-GFCCVEGCSA-N 1 0 272.348 2.467 10 0 CEAERO C[N@@H+]1CC[C@H](Nc2cc(OC(F)F)c(F)cc2N)C1 ZINC000110638925 186307627 /nfs/dbraw/zinc/30/76/27/186307627.db2.gz JGIFHHQGXXFAIG-ZETCQYMHSA-N 1 0 275.274 2.125 10 0 CEAERO CCOc1cc(N2CCC[N@@H+]3CCC[C@@H]3C2)c(N)cc1F ZINC000110634686 186308099 /nfs/dbraw/zinc/30/80/99/186308099.db2.gz OFKNRPHEUCEQQF-GFCCVEGCSA-N 1 0 293.386 2.481 10 0 CEAERO CCCOc1cc(OCC[NH+](C)C)c(N)cc1F ZINC000110642795 186308957 /nfs/dbraw/zinc/30/89/57/186308957.db2.gz OXLBYLBLCKROBM-UHFFFAOYSA-N 1 0 256.321 2.137 10 0 CEAERO COc1ccc(-c2nc(C)cc(NN)[nH+]2)c(Cl)c1OC ZINC000110829624 186327469 /nfs/dbraw/zinc/32/74/69/186327469.db2.gz ZFPCGTZHKUFJCD-UHFFFAOYSA-N 1 0 294.742 2.408 10 0 CEAERO COC(=O)[C@H](CC[N@H+](C)CC1CCCC1)NC(C)C ZINC000110840744 186328325 /nfs/dbraw/zinc/32/83/25/186328325.db2.gz DWUGMZZHIGRCTE-AWEZNQCLSA-N 1 0 270.417 2.038 10 0 CEAERO COc1ccc([C@H](C)N(C)[C@@H]2CCC[NH2+]C2)c(OC)c1 ZINC000110926121 186333110 /nfs/dbraw/zinc/33/31/10/186333110.db2.gz DDMFHGZGJCXHIE-QWHCGFSZSA-N 1 0 278.396 2.449 10 0 CEAERO CN1CCCC[C@H]1C[NH2+]Cc1[nH]nnc1-c1ccccc1 ZINC000110925257 186333152 /nfs/dbraw/zinc/33/31/52/186333152.db2.gz IWFKQQDJWAUETF-AWEZNQCLSA-N 1 0 285.395 2.046 10 0 CEAERO CN(CCSc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000110929514 186333197 /nfs/dbraw/zinc/33/31/97/186333197.db2.gz RPWXPFFYFSOGOU-CYBMUJFWSA-N 1 0 250.411 2.463 10 0 CEAERO CN(Cc1cc(-c2ccco2)on1)[C@@H]1CCC[NH2+]C1 ZINC000110929107 186333301 /nfs/dbraw/zinc/33/33/01/186333301.db2.gz HJTPRPRMYJXAAW-GFCCVEGCSA-N 1 0 261.325 2.118 10 0 CEAERO CCc1ccc(C(=O)N(C)[C@H]2CCC[NH2+]C2)s1 ZINC000110927444 186333621 /nfs/dbraw/zinc/33/36/21/186333621.db2.gz PLRLSKPGBILHGM-JTQLQIEISA-N 1 0 252.383 2.135 10 0 CEAERO CCCN(C(=O)c1cccn1C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000110941035 186334123 /nfs/dbraw/zinc/33/41/23/186334123.db2.gz HYEYDWLXMKEKPW-CQSZACIVSA-N 1 0 275.396 2.427 10 0 CEAERO CCN(c1ncnc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000110946946 186335403 /nfs/dbraw/zinc/33/54/03/186335403.db2.gz NLPIDDDGVYCUND-GFCCVEGCSA-N 1 0 256.353 2.208 10 0 CEAERO CC[NH+](CC)CCn1c2ccccc2nc1CC(N)=S ZINC000110950927 186335639 /nfs/dbraw/zinc/33/56/39/186335639.db2.gz ZZHQLYWQJZKVLE-UHFFFAOYSA-N 1 0 290.436 2.207 10 0 CEAERO CCN(CC(=O)Nc1ccc(C)cc1)[C@H]1CCC[NH2+]C1 ZINC000110943571 186335920 /nfs/dbraw/zinc/33/59/20/186335920.db2.gz VRALXNGAYFLZNI-HNNXBMFYSA-N 1 0 275.396 2.007 10 0 CEAERO CCN(c1cnnc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000110947167 186336021 /nfs/dbraw/zinc/33/60/21/186336021.db2.gz VENREWDCEIEHQU-LBPRGKRZSA-N 1 0 256.353 2.208 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(C)cc1OC[C@H](C)C(N)=O ZINC000110960663 186336135 /nfs/dbraw/zinc/33/61/35/186336135.db2.gz YBPAEEKEGJCQGM-RYUDHWBXSA-N 1 0 264.369 2.166 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(C)cc1OCCC(=O)NC ZINC000110960571 186337007 /nfs/dbraw/zinc/33/70/07/186337007.db2.gz LQNBPBKVEHJZLC-LBPRGKRZSA-N 1 0 264.369 2.180 10 0 CEAERO CCOC(=O)COc1cc(C)ccc1[C@@H](C)[NH2+]C ZINC000110959823 186337133 /nfs/dbraw/zinc/33/71/33/186337133.db2.gz TYWUPXKHNMHTLW-LLVKDONJSA-N 1 0 251.326 2.217 10 0 CEAERO Cc1ccc(C[C@@H](C[NH3+])C(=O)NC(C)(C)C)cc1F ZINC000110974640 186338130 /nfs/dbraw/zinc/33/81/30/186338130.db2.gz LZLCHNMNWGUPOF-LBPRGKRZSA-N 1 0 266.360 2.166 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(C)s1)N1CCNC(=O)C1(C)C ZINC000110653414 186311172 /nfs/dbraw/zinc/31/11/72/186311172.db2.gz NGYZCYNASDARJD-YPMHNXCESA-N 1 0 295.452 2.045 10 0 CEAERO CCNc1ccc(C(=O)N2CC[N@H+](CC)[C@@H](C)C2)cc1 ZINC000110696557 186312656 /nfs/dbraw/zinc/31/26/56/186312656.db2.gz BQTJFNRDJGCLAU-ZDUSSCGKSA-N 1 0 275.396 2.285 10 0 CEAERO CC[C@@H]1CN(C(=O)Nc2ccc([C@@H](C)O)cc2)CC[N@@H+]1C ZINC000110694691 186313499 /nfs/dbraw/zinc/31/34/99/186313499.db2.gz FXDDXKCMVMIJRQ-IUODEOHRSA-N 1 0 291.395 2.298 10 0 CEAERO CC(C)[C@@H]([C@H](O)c1ccccc1)[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000110735658 186317064 /nfs/dbraw/zinc/31/70/64/186317064.db2.gz VUVDTAQUZPUYHN-BHYGNILZSA-N 1 0 276.424 2.381 10 0 CEAERO CC[C@@H]1CN(CCC(=O)c2ccccc2F)CC[N@@H+]1C ZINC000110744037 186319577 /nfs/dbraw/zinc/31/95/77/186319577.db2.gz RYKUEVCSZLKAAF-CYBMUJFWSA-N 1 0 278.371 2.425 10 0 CEAERO CCOC(=O)c1cc(C)sc1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000110777162 186323427 /nfs/dbraw/zinc/32/34/27/186323427.db2.gz WFACEDOGNNSWDR-SNVBAGLBSA-N 1 0 296.392 2.123 10 0 CEAERO Nc1c(C2CCOCC2)[nH+]c2ccc(Cl)cn12 ZINC000110780957 186324089 /nfs/dbraw/zinc/32/40/89/186324089.db2.gz AIGATEFCBZIVAW-UHFFFAOYSA-N 1 0 251.717 2.464 10 0 CEAERO O=C(NCC[C@H]1CCC[NH2+]C1)c1c[nH]c2ccccc12 ZINC000110791673 186324316 /nfs/dbraw/zinc/32/43/16/186324316.db2.gz JIBTZPILQBPIPF-GFCCVEGCSA-N 1 0 271.364 2.287 10 0 CEAERO CCOC(CC[N@H+](C)C[C@H]1CCCCO1)OCC ZINC000110785200 186324647 /nfs/dbraw/zinc/32/46/47/186324647.db2.gz OMHFVXMBBOIFCU-CYBMUJFWSA-N 1 0 259.390 2.277 10 0 CEAERO CCOC(CC[N@H+](C)Cc1cccnc1)OCC ZINC000110785566 186324784 /nfs/dbraw/zinc/32/47/84/186324784.db2.gz VHUIWFCZETVMBH-UHFFFAOYSA-N 1 0 252.358 2.303 10 0 CEAERO c1ccc(NC[C@@H]2CC[N@H+](Cc3ccncc3)C2)nc1 ZINC000130753419 365987426 /nfs/dbraw/zinc/98/74/26/365987426.db2.gz RZFVZEGOKNTSKB-HNNXBMFYSA-N 1 0 268.364 2.411 10 0 CEAERO C[C@@H](CNC(=O)c1c(N)cccc1Cl)C[NH+]1CCCC1 ZINC000111012769 186343077 /nfs/dbraw/zinc/34/30/77/186343077.db2.gz XVPDHLJJTATQMA-NSHDSACASA-N 1 0 295.814 2.384 10 0 CEAERO [NH3+]C[C@H](Cc1cccc(F)c1F)C(=O)N1CCCCCC1 ZINC000111037572 186346948 /nfs/dbraw/zinc/34/69/48/186346948.db2.gz IYFDTHXKXLSESF-ZDUSSCGKSA-N 1 0 296.361 2.485 10 0 CEAERO CN(CCc1ccccn1)c1ccc(F)cc1C(N)=[NH2+] ZINC000111033487 186347323 /nfs/dbraw/zinc/34/73/23/186347323.db2.gz IJNWKZZUMQZSMJ-UHFFFAOYSA-N 1 0 272.327 2.184 10 0 CEAERO CCCNc1ccc(C(=O)N(C)CC[NH+](C)C)cc1C ZINC000111151726 186360398 /nfs/dbraw/zinc/36/03/98/186360398.db2.gz UEALPYVNDKAHFM-UHFFFAOYSA-N 1 0 277.412 2.451 10 0 CEAERO Cc1cc(F)ccc1[C@@H](C[NH3+])N(C)C[C@@H]1CCCOC1 ZINC000111157889 186361395 /nfs/dbraw/zinc/36/13/95/186361395.db2.gz CXGYTSBKEBOUDV-XJKSGUPXSA-N 1 0 280.387 2.492 10 0 CEAERO C[C@H](c1ccccc1)[C@H](CN)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111158277 186361993 /nfs/dbraw/zinc/36/19/93/186361993.db2.gz JJULCPDFQCPUFZ-VYDXJSESSA-N 1 0 276.424 2.476 10 0 CEAERO C[N@H+](CC1CCOCC1)[C@@]1(CN)CCc2ccccc2C1 ZINC000111159739 186362357 /nfs/dbraw/zinc/36/23/57/186362357.db2.gz XBIKYDFQBQRJJG-SFHVURJKSA-N 1 0 288.435 2.231 10 0 CEAERO Cc1csc(C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)n1 ZINC000130864194 366000187 /nfs/dbraw/zinc/00/01/87/366000187.db2.gz VWGPKPJZYJVRBN-LLVKDONJSA-N 1 0 262.382 2.175 10 0 CEAERO Cc1ccc([C@H](CN)[N@H+](C)CC2CCOCC2)s1 ZINC000111155838 186363041 /nfs/dbraw/zinc/36/30/41/186363041.db2.gz IHEGZJRBJRNRLE-ZDUSSCGKSA-N 1 0 268.426 2.415 10 0 CEAERO C[C@@H]([C@@H](N)c1ccccc1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111160417 186363074 /nfs/dbraw/zinc/36/30/74/186363074.db2.gz VANMXZVDRUYOJY-OFQRWUPVSA-N 1 0 262.397 2.433 10 0 CEAERO O=c1[nH]c(C[NH2+]C[C@@H]2C[C@H]3CC[C@@H]2C3)nc2ccccc21 ZINC000111089780 186351474 /nfs/dbraw/zinc/35/14/74/186351474.db2.gz ITGAMTGBCOVMQK-XQQFMLRXSA-N 1 0 283.375 2.449 10 0 CEAERO O=C(C[NH2+]C[C@H]1C[C@H]2CC[C@@H]1C2)N1CCCCC1 ZINC000111088005 186352025 /nfs/dbraw/zinc/35/20/25/186352025.db2.gz JXEOBKOHKDVZRJ-BFHYXJOUSA-N 1 0 250.386 2.025 10 0 CEAERO C[N@@H+](Cc1ccccc1C(N)=S)CC1CCOCC1 ZINC000111163235 186363365 /nfs/dbraw/zinc/36/33/65/186363365.db2.gz YTOLHKFWJOFYGI-UHFFFAOYSA-N 1 0 278.421 2.179 10 0 CEAERO CCCOCCOc1cc(Cl)ccc1C(N)=[NH2+] ZINC000111109082 186353742 /nfs/dbraw/zinc/35/37/42/186353742.db2.gz AHMCPXBWTOXZQK-UHFFFAOYSA-N 1 0 256.733 2.429 10 0 CEAERO COc1cccc([C@H](C[NH3+])Sc2ccncn2)c1 ZINC000111113730 186353762 /nfs/dbraw/zinc/35/37/62/186353762.db2.gz QFQNRGOWFIEZAI-LBPRGKRZSA-N 1 0 261.350 2.277 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1ccncn1)c1ccccn1 ZINC000111113473 186353836 /nfs/dbraw/zinc/35/38/36/186353836.db2.gz NFUXPUFDOVJBHB-MFKMUULPSA-N 1 0 260.366 2.442 10 0 CEAERO CCOCCN(CC)C[C@@H]1[NH2+]CCc2ccccc21 ZINC000111125470 186355353 /nfs/dbraw/zinc/35/53/53/186355353.db2.gz DZQLISRQCYTTHQ-INIZCTEOSA-N 1 0 262.397 2.232 10 0 CEAERO C[C@H]1C[C@@H](C(=O)N(C)CCC[NH+](C)C)c2ccccc2N1 ZINC000111139366 186357897 /nfs/dbraw/zinc/35/78/97/186357897.db2.gz QBFNTTIZUKRZCN-DZGCQCFKSA-N 1 0 289.423 2.384 10 0 CEAERO Cc1ccc([C@H](O)[C@H](C)N(C)CCC[NH+](C)C)cc1 ZINC000111143920 186358877 /nfs/dbraw/zinc/35/88/77/186358877.db2.gz ZULADHGJVIQDLU-GOEBONIOSA-N 1 0 264.413 2.300 10 0 CEAERO CNc1nc(CN(C)CCC[NH+](C)C)nc2sccc21 ZINC000111146277 186359300 /nfs/dbraw/zinc/35/93/00/186359300.db2.gz JWTMOHXIBFBJRV-UHFFFAOYSA-N 1 0 293.440 2.117 10 0 CEAERO CN(C[C@@H]1CCCOC1)c1ccc(F)cc1C[NH3+] ZINC000111153671 186360215 /nfs/dbraw/zinc/36/02/15/186360215.db2.gz JSVIFRMIHWGVDH-NSHDSACASA-N 1 0 252.333 2.147 10 0 CEAERO C[N@H+](CC1CCOCC1)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000111168829 186363598 /nfs/dbraw/zinc/36/35/98/186363598.db2.gz JZJORKQLJHCVCR-CVEARBPZSA-N 1 0 261.365 2.003 10 0 CEAERO CN(C[C@@H]1CCCOC1)c1cccc(Cl)c1C(N)=[NH2+] ZINC000111163989 186363935 /nfs/dbraw/zinc/36/39/35/186363935.db2.gz LHNTZRYZIUQXRJ-JTQLQIEISA-N 1 0 281.787 2.487 10 0 CEAERO CCOc1ccc([C@@H](N)C[N@H+](C)CC2CCOCC2)cc1 ZINC000111161487 186364397 /nfs/dbraw/zinc/36/43/97/186364397.db2.gz NOPGIYZYPDHYSV-KRWDZBQOSA-N 1 0 292.423 2.444 10 0 CEAERO CCC[NH2+]Cc1cccnc1N(C)CC1CCOCC1 ZINC000111174307 186365487 /nfs/dbraw/zinc/36/54/87/186365487.db2.gz RCBNMGMSPUVNNG-UHFFFAOYSA-N 1 0 277.412 2.444 10 0 CEAERO C[N@H+](CC1CCOCC1)C[C@H]1NCCc2ccccc21 ZINC000111179330 186366346 /nfs/dbraw/zinc/36/63/46/186366346.db2.gz PILORXWAYXZZDO-QGZVFWFLSA-N 1 0 274.408 2.232 10 0 CEAERO C[C@H]([NH3+])c1cccc(NC(=O)NCC2CCOCC2)c1 ZINC000111182542 186366422 /nfs/dbraw/zinc/36/64/22/186366422.db2.gz CEYGDWQQQHJDPF-NSHDSACASA-N 1 0 277.368 2.254 10 0 CEAERO CN(C)C[C@@H]([NH2+]C[C@@H]1CCCOC1)c1ccccc1 ZINC000111317911 186396144 /nfs/dbraw/zinc/39/61/44/186396144.db2.gz BDGLWCMWTQOALV-GOEBONIOSA-N 1 0 262.397 2.306 10 0 CEAERO CCN(CC(F)(F)F)C[C@@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111326215 186398298 /nfs/dbraw/zinc/39/82/98/186398298.db2.gz GKSHRPJJQCSRIN-ZDUSSCGKSA-N 1 0 294.361 2.419 10 0 CEAERO OC[C@]1(C[N@@H+]2CCCc3ccccc3C2)CCCOC1 ZINC000111331697 186399822 /nfs/dbraw/zinc/39/98/22/186399822.db2.gz IECREDCDTYIOJW-QGZVFWFLSA-N 1 0 275.392 2.224 10 0 CEAERO O=C(OCCc1cccs1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111241311 186374399 /nfs/dbraw/zinc/37/43/99/186374399.db2.gz CWVOGMCKDJJVLA-LLVKDONJSA-N 1 0 293.310 2.376 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)o1 ZINC000111244254 186375412 /nfs/dbraw/zinc/37/54/12/186375412.db2.gz CVCPCGMWAUIKHO-SKDRFNHKSA-N 1 0 290.285 2.307 10 0 CEAERO Cc1ccccc1N(C)C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111246783 186375502 /nfs/dbraw/zinc/37/55/02/186375502.db2.gz MLCNWLRXOIZCAM-CYBMUJFWSA-N 1 0 286.297 2.500 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)O[C@@H]1CCCc2ccccc21 ZINC000111257517 186379708 /nfs/dbraw/zinc/37/97/08/186379708.db2.gz SRQAYQWZIKBRTC-NILFDRSVSA-N 1 0 259.349 2.463 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1c1nc(Cc2cccc(F)c2)no1 ZINC000111256482 186379799 /nfs/dbraw/zinc/37/97/99/186379799.db2.gz JWTDIVPMQKHUHR-CABZTGNLSA-N 1 0 261.300 2.122 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000111263141 186380339 /nfs/dbraw/zinc/38/03/39/186380339.db2.gz DVUQEPYEDKILGC-KWQFWETISA-N 1 0 288.269 2.379 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000111263541 186380851 /nfs/dbraw/zinc/38/08/51/186380851.db2.gz KOFOGUJZJNIZQF-GZMMTYOYSA-N 1 0 288.269 2.379 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000111265299 186381132 /nfs/dbraw/zinc/38/11/32/186381132.db2.gz GLTCUVROEUOBII-SKDRFNHKSA-N 1 0 285.347 2.499 10 0 CEAERO COc1c(C)ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2C)c1C ZINC000111264470 186381346 /nfs/dbraw/zinc/38/13/46/186381346.db2.gz DQTZDAYRTZAREP-JQWIXIFHSA-N 1 0 262.353 2.106 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(Cc1ccco1)CC(F)(F)F ZINC000111268146 186382774 /nfs/dbraw/zinc/38/27/74/186382774.db2.gz BXSROEKZRMMYLZ-MWLCHTKSSA-N 1 0 290.285 2.026 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(Cl)c(F)c1 ZINC000111266199 186383480 /nfs/dbraw/zinc/38/34/80/186383480.db2.gz RZJFJAOILVOKIL-VXNVDRBHSA-N 1 0 256.708 2.273 10 0 CEAERO CC[C@H](C)c1noc(-c2c[nH]c(C3([NH3+])CCC3)n2)n1 ZINC000111274284 186385896 /nfs/dbraw/zinc/38/58/96/186385896.db2.gz OKAFAPKJJIXOHF-QMMMGPOBSA-N 1 0 261.329 2.311 10 0 CEAERO CCC[NH2+][C@@H](COC)Cc1nc([C@@H](C)CC)no1 ZINC000111275532 186387365 /nfs/dbraw/zinc/38/73/65/186387365.db2.gz FVHFFLZJDGKGRG-WDEREUQCSA-N 1 0 255.362 2.140 10 0 CEAERO Cc1nc(Cl)c(C)c(N[C@@H](C)CC[NH+](C)C)n1 ZINC000111297974 186392009 /nfs/dbraw/zinc/39/20/09/186392009.db2.gz CXUZUFWQCCOGDZ-QMMMGPOBSA-N 1 0 256.781 2.499 10 0 CEAERO CC[C@@H]1CO[C@@H](C)CN1c1ccc(CC[NH3+])c(C)c1 ZINC000111485465 186423109 /nfs/dbraw/zinc/42/31/09/186423109.db2.gz CWOYXMHJMBKHMU-DZGCQCFKSA-N 1 0 262.397 2.500 10 0 CEAERO CC(C)CN(C)c1nc2ccccn2c1C[C@@H](C)[NH3+] ZINC000111490794 186424002 /nfs/dbraw/zinc/42/40/02/186424002.db2.gz AKPJKZFFAYLMFX-GFCCVEGCSA-N 1 0 260.385 2.316 10 0 CEAERO Cc1nn(C)c(N2CCc3ccccc32)c1C[C@H](C)[NH3+] ZINC000111489160 186424259 /nfs/dbraw/zinc/42/42/59/186424259.db2.gz BKICMYRJVRCIHU-NSHDSACASA-N 1 0 270.380 2.312 10 0 CEAERO CC[C@H]([NH3+])Cc1c(N(C)[C@@H](C)COC)nc2ccccn21 ZINC000111502794 186424509 /nfs/dbraw/zinc/42/45/09/186424509.db2.gz XXDYCWYRMZMRNQ-STQMWFEESA-N 1 0 290.411 2.085 10 0 CEAERO COCCN(C)c1nc2ccccc2cc1C[C@@H](C)[NH3+] ZINC000111509611 186424889 /nfs/dbraw/zinc/42/48/89/186424889.db2.gz FQBMTCPIHBJTCG-GFCCVEGCSA-N 1 0 273.380 2.207 10 0 CEAERO CC[C@@H]([NH3+])Cc1c(C)nn(C)c1N(CCOC)CC(C)C ZINC000111503051 186424892 /nfs/dbraw/zinc/42/48/92/186424892.db2.gz CGPVQAKDCZQJIF-CQSZACIVSA-N 1 0 296.459 2.117 10 0 CEAERO COCCCN(CCOC)c1ccc(C[C@H](C)[NH3+])cc1 ZINC000111505968 186424898 /nfs/dbraw/zinc/42/48/98/186424898.db2.gz XTTUOWPOZHPBNI-AWEZNQCLSA-N 1 0 280.412 2.066 10 0 CEAERO Cc1nn(-c2nc3sccn3c2CC[NH3+])c(C)c1Cl ZINC000111513435 186426077 /nfs/dbraw/zinc/42/60/77/186426077.db2.gz JMQDQSYWVKAIIK-UHFFFAOYSA-N 1 0 295.799 2.353 10 0 CEAERO CCO[C@H]1CCCN(c2c(C[C@@H]([NH3+])CC)c(C)nn2C)C1 ZINC000111511652 186426242 /nfs/dbraw/zinc/42/62/42/186426242.db2.gz YJGJSEHZSVUJQL-KBPBESRZSA-N 1 0 294.443 2.014 10 0 CEAERO C[NH2+]Cc1ccc(Sc2nnc(C)n2C)cc1C ZINC000111568992 186428622 /nfs/dbraw/zinc/42/86/22/186428622.db2.gz FSPXPBIMYCLLKB-UHFFFAOYSA-N 1 0 262.382 2.303 10 0 CEAERO CN(CCC[NH+](C)C)c1ccc(N)c2cccnc21 ZINC000111614150 186431727 /nfs/dbraw/zinc/43/17/27/186431727.db2.gz HHIADURKBSFGBM-UHFFFAOYSA-N 1 0 258.369 2.205 10 0 CEAERO C[C@@H]1CCC[C@H](C(=O)NCC2(C)CCCC2)[C@@H]1[NH3+] ZINC000111624591 186432838 /nfs/dbraw/zinc/43/28/38/186432838.db2.gz YGXQPBOZAKZZDA-FRRDWIJNSA-N 1 0 252.402 2.446 10 0 CEAERO CC[NH2+]C[C@@H]1CCCCN1CC(=O)Nc1ccc(C)cc1 ZINC000111701373 186446076 /nfs/dbraw/zinc/44/60/76/186446076.db2.gz JFNOSZPUDQPGGP-INIZCTEOSA-N 1 0 289.423 2.398 10 0 CEAERO CCC[NH2+][C@@H](C)[C@H]1CCCCN1CC(=O)NC(C)(C)C ZINC000111712772 186450656 /nfs/dbraw/zinc/45/06/56/186450656.db2.gz HNVXSOOWESJIFX-UONOGXRCSA-N 1 0 283.460 2.144 10 0 CEAERO C[C@@H]1C[C@@H]1CN(C)c1nc2c(cc1C(N)=[NH2+])CCCC2 ZINC000111768299 186454044 /nfs/dbraw/zinc/45/40/44/186454044.db2.gz NUWJSXYMKPLIOQ-ZYHUDNBSSA-N 1 0 272.396 2.337 10 0 CEAERO Cc1cccc(NC(=O)NCCOC2CCC([NH3+])CC2)c1 ZINC000111789518 186457673 /nfs/dbraw/zinc/45/76/73/186457673.db2.gz XLBVXOVOCVPCJY-UHFFFAOYSA-N 1 0 291.395 2.403 10 0 CEAERO Cc1nn(C)c(N(Cc2ccccc2)C(C)C)c1C(N)=[NH2+] ZINC000111358099 186405053 /nfs/dbraw/zinc/40/50/53/186405053.db2.gz BJTHZEDJCHBJLP-UHFFFAOYSA-N 1 0 285.395 2.428 10 0 CEAERO [NH3+]C[C@H](NC(=O)c1cccc(F)c1F)c1ccccc1 ZINC000111365354 186405571 /nfs/dbraw/zinc/40/55/71/186405571.db2.gz HPFMLSWMTIVKMZ-ZDUSSCGKSA-N 1 0 276.286 2.395 10 0 CEAERO COc1ccc(CC(=O)N[C@]2(C[NH3+])CCC[C@@H](C)C2)cc1 ZINC000111370186 186407881 /nfs/dbraw/zinc/40/78/81/186407881.db2.gz NFQUSFBWKOVJHR-CXAGYDPISA-N 1 0 290.407 2.262 10 0 CEAERO C[C@H]1CCC[C@@](C[NH3+])(NC(=O)c2ccc3c(c2)CCO3)C1 ZINC000111369565 186408013 /nfs/dbraw/zinc/40/80/13/186408013.db2.gz QUZJDKANPWUEHS-YVEFUNNKSA-N 1 0 288.391 2.259 10 0 CEAERO COc1ccc(C(=O)N2CCC[C@@H]2CCC[NH3+])cc1OC ZINC000111370784 186408949 /nfs/dbraw/zinc/40/89/49/186408949.db2.gz MRINMSAFCBCTCK-ZDUSSCGKSA-N 1 0 292.379 2.047 10 0 CEAERO CC(C)Cn1ccnc(N[C@H](C[NH3+])c2ccccc2)c1=O ZINC000111376397 186409404 /nfs/dbraw/zinc/40/94/04/186409404.db2.gz ZIPJPJPOANUQGX-CQSZACIVSA-N 1 0 286.379 2.011 10 0 CEAERO OC1C[C@H]2CC[C@@H](C1)N2c1ccccc1C[NH2+]C1CC1 ZINC000111393233 186412712 /nfs/dbraw/zinc/41/27/12/186412712.db2.gz CXZQHKYVHZOVFZ-XYPWUTKMSA-N 1 0 272.392 2.431 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CSc3ccccc32)C1 ZINC000118333818 186770148 /nfs/dbraw/zinc/77/01/48/186770148.db2.gz ABNNFIPAAHSDHC-GXTWGEPZSA-N 1 0 290.432 2.476 10 0 CEAERO C[NH2+]CCN(C)C(=O)c1sccc1SC(F)F ZINC000120486988 186902898 /nfs/dbraw/zinc/90/28/98/186902898.db2.gz AOBYTQJCSVCOSC-UHFFFAOYSA-N 1 0 280.365 2.354 10 0 CEAERO C[C@@H]1CN(C(=O)C2CCC3(CC3)CC2)C[C@H]1C[NH3+] ZINC000630090970 351615131 /nfs/dbraw/zinc/61/51/31/351615131.db2.gz DMMHYWQIYGXPAH-DGCLKSJQSA-N 1 0 250.386 2.010 10 0 CEAERO Cc1ccc(-c2cc(N3CCC[NH2+]CC3)n[nH]2)c(C)c1 ZINC000070460003 363087144 /nfs/dbraw/zinc/08/71/44/363087144.db2.gz NTLMCXMKMSNOSK-UHFFFAOYSA-N 1 0 270.380 2.493 10 0 CEAERO CCCc1cc(N2CCC([NH3+])CC2)nc(-c2cccnc2)n1 ZINC000070451853 363084194 /nfs/dbraw/zinc/08/41/94/363084194.db2.gz DQJUXSIUHBGYCN-UHFFFAOYSA-N 1 0 297.406 2.419 10 0 CEAERO CC(C)OC1CCC(NC(=O)N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000151976650 539822489 /nfs/dbraw/zinc/82/24/89/539822489.db2.gz YQRGNBWHLBUEIE-SLTAFYQDSA-N 1 0 297.443 2.068 10 0 CEAERO CCc1nc(N[C@H]2CCC[NH2+]C2)cc(-c2ccncc2)n1 ZINC000070456612 363084949 /nfs/dbraw/zinc/08/49/49/363084949.db2.gz RBQARJFHSHFXAK-ZDUSSCGKSA-N 1 0 283.379 2.265 10 0 CEAERO CO[C@@H]1CN(Cc2cccc(Cl)c2)[C@](C)(C[NH3+])C1 ZINC000630355819 351710137 /nfs/dbraw/zinc/71/01/37/351710137.db2.gz LITFMDMRDCODIM-KBPBESRZSA-N 1 0 268.788 2.278 10 0 CEAERO CO[C@H]1CN(CCSc2ccccc2)[C@@](C)(C[NH3+])C1 ZINC000630361545 351711753 /nfs/dbraw/zinc/71/17/53/351711753.db2.gz JQNYBDBETMEDTM-UKRRQHHQSA-N 1 0 280.437 2.217 10 0 CEAERO CO[C@H]1CN(Cc2cc(F)ccc2C)[C@@](C)(C[NH3+])C1 ZINC000630368074 351714349 /nfs/dbraw/zinc/71/43/49/351714349.db2.gz 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VMXTVPAWSXYZAQ-ZVDSWSACSA-N 1 0 267.413 2.163 10 0 CEAERO CCN1CC[C@H]([NH2+]C[C@H]2CCOc3ccccc32)C1 ZINC000389469473 540357887 /nfs/dbraw/zinc/35/78/87/540357887.db2.gz UOVICICTWURXSE-KGLIPLIRSA-N 1 0 260.381 2.237 10 0 CEAERO CCC[NH+]1CCC(NC2CCCCC2)(C(=O)OC)CC1 ZINC000037971876 283320639 /nfs/dbraw/zinc/32/06/39/283320639.db2.gz RVPUADDNQQEXHV-UHFFFAOYSA-N 1 0 282.428 2.326 10 0 CEAERO Nc1cccc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000168468734 540420074 /nfs/dbraw/zinc/42/00/74/540420074.db2.gz XGOQUGVAGLGGII-GDBMZVCRSA-N 1 0 260.381 2.396 10 0 CEAERO COc1ccc(C)cc1[C@H](C)NC(=O)C[NH2+]C(C)C ZINC000037610056 540611452 /nfs/dbraw/zinc/61/14/52/540611452.db2.gz XCJFLEKYMBZJDB-LBPRGKRZSA-N 1 0 264.369 2.179 10 0 CEAERO C/C=C(\C)C(=O)N1CC[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000685939255 540635287 /nfs/dbraw/zinc/63/52/87/540635287.db2.gz IDVBFHCJTFYYFP-KRGNKJTDSA-N 1 0 258.365 2.296 10 0 CEAERO CCC[C@@H](C(=O)NC[C@](C)(O)CCC(C)C)[NH+](C)C ZINC000120924391 283474562 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CC(C)(C)[NH2+]C[C@H](O)COC(=O)c1ccccc1Cl ZINC000025970351 361634467 /nfs/dbraw/zinc/63/44/67/361634467.db2.gz WPWJCMXOPDAHCR-JTQLQIEISA-N 1 0 285.771 2.246 10 0 CEAERO CC1(C)[C@H]([NH2+]CC2(O)CCSCC2)[C@H]2CCCO[C@H]21 ZINC000678925130 541191856 /nfs/dbraw/zinc/19/18/56/541191856.db2.gz LCWYDIFBXMNBAP-JHJVBQTASA-N 1 0 285.453 2.038 10 0 CEAERO C[NH2+]C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000032110193 361728515 /nfs/dbraw/zinc/72/85/15/361728515.db2.gz VIWJGZPXOWECCN-HNNXBMFYSA-N 1 0 257.333 2.313 10 0 CEAERO [NH3+][C@H]1CC[C@H](C(=O)NCc2ccc(Cl)s2)C1 ZINC000085013607 363828871 /nfs/dbraw/zinc/82/88/71/363828871.db2.gz KGPFRZOQAFOXFO-YUMQZZPRSA-N 1 0 258.774 2.145 10 0 CEAERO Cc1ccc2[nH+]ccc(NC[C@@H]3CCS(=O)(=O)C3)c2c1 ZINC000302177889 201384247 /nfs/dbraw/zinc/38/42/47/201384247.db2.gz XVSCSGJVRFXHOA-LBPRGKRZSA-N 1 0 290.388 2.390 10 0 CEAERO CCN(CC)c1ncc(C[NH2+]C[C@@H]2CCC[C@@H]2O)s1 ZINC000089164332 363942975 /nfs/dbraw/zinc/94/29/75/363942975.db2.gz LXGMQICQCBLUEI-AAEUAGOBSA-N 1 0 283.441 2.240 10 0 CEAERO CC[C@@H](CSC)[N@H+](C)C[C@H](O)COC(C)(C)C ZINC000091097258 364069676 /nfs/dbraw/zinc/06/96/76/364069676.db2.gz HEZOANIWAQPXOZ-RYUDHWBXSA-N 1 0 263.447 2.236 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)c1cc(Cl)nc(C)n1 ZINC000092665335 364097310 /nfs/dbraw/zinc/09/73/10/364097310.db2.gz OPXXAGOHOJRRFM-LLVKDONJSA-N 1 0 268.792 2.359 10 0 CEAERO Oc1cccc(C[NH+]2CCC(c3cc[nH]n3)CC2)c1 ZINC000092810948 364110660 /nfs/dbraw/zinc/11/06/60/364110660.db2.gz CIILATYZDJZVAA-UHFFFAOYSA-N 1 0 257.337 2.495 10 0 CEAERO Cn1nc(CC(C)(C)C)cc1NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000237672166 370744487 /nfs/dbraw/zinc/74/44/87/370744487.db2.gz XSBVDDRBUMTNFI-MNOVXSKESA-N 1 0 278.400 2.075 10 0 CEAERO Cc1sc(-c2ccco2)nc1C(=O)N1CCC[C@H]1C[NH3+] ZINC000237714921 370747128 /nfs/dbraw/zinc/74/71/28/370747128.db2.gz WDRAPBYXUZOCFZ-JTQLQIEISA-N 1 0 291.376 2.275 10 0 CEAERO COCc1ccccc1C[NH2+]Cc1cnn(C)c1C ZINC000093650008 364211604 /nfs/dbraw/zinc/21/16/04/364211604.db2.gz QPPSBFWYQFCQCI-UHFFFAOYSA-N 1 0 259.353 2.165 10 0 CEAERO [NH3+][C@@H]1CCC[C@H](C(=O)NCc2ccccc2-n2cccn2)C1 ZINC000237898933 370757467 /nfs/dbraw/zinc/75/74/67/370757467.db2.gz FAVFBSPDBWCWKZ-DZGCQCFKSA-N 1 0 298.390 2.006 10 0 CEAERO CN(Cc1cnc(Cl)s1)C[C@H]1CCCC[NH2+]1 ZINC000095070873 364331473 /nfs/dbraw/zinc/33/14/73/364331473.db2.gz VJMGPUUTADZJQH-SECBINFHSA-N 1 0 259.806 2.370 10 0 CEAERO CSc1nccnc1COCC[C@@H]1CCC[NH2+]C1 ZINC000095071957 364332241 /nfs/dbraw/zinc/33/22/41/364332241.db2.gz OELGBORSRDHXTQ-NSHDSACASA-N 1 0 267.398 2.105 10 0 CEAERO [NH3+][C@@H]1CCCN(c2nc3ccccc3nc2NC2CC2)C1 ZINC000095072330 364332400 /nfs/dbraw/zinc/33/24/00/364332400.db2.gz PFBFCXSMUXOVTF-LLVKDONJSA-N 1 0 283.379 2.132 10 0 CEAERO COc1ccc(C[C@H]2COCC[C@@H]2[NH2+]C2CC2)cc1 ZINC000095076262 364333066 /nfs/dbraw/zinc/33/30/66/364333066.db2.gz PAYCPZVADQCWQQ-BBRMVZONSA-N 1 0 261.365 2.395 10 0 CEAERO Cc1ccccc1CC[NH2+][C@H](C)C(=O)N1CCCC1 ZINC000095082553 364336236 /nfs/dbraw/zinc/33/62/36/364336236.db2.gz JEAUORBBFZLMQZ-CQSZACIVSA-N 1 0 260.381 2.138 10 0 CEAERO COCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000094955189 364315044 /nfs/dbraw/zinc/31/50/44/364315044.db2.gz ZFRDDKBRVKIYLF-STQMWFEESA-N 1 0 296.386 2.326 10 0 CEAERO [NH3+][C@H]1CC[C@H](c2nc(COc3ccccc3)no2)C1 ZINC000097068204 364439166 /nfs/dbraw/zinc/43/91/66/364439166.db2.gz PHTUXJXUTATHSN-QWRGUYRKSA-N 1 0 259.309 2.243 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc(F)cc1 ZINC000113229336 364879183 /nfs/dbraw/zinc/87/91/83/364879183.db2.gz YAXAYPTUUUJGHP-SWLSCSKDSA-N 1 0 276.355 2.063 10 0 CEAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccsc1Cl ZINC000335607279 212318468 /nfs/dbraw/zinc/31/84/68/212318468.db2.gz GRAHLJXXLXUUDG-APPZFPTMSA-N 1 0 258.774 2.158 10 0 CEAERO Cc1ncccc1CN1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000335729320 364896355 /nfs/dbraw/zinc/89/63/55/364896355.db2.gz BTNOFHSCEDMOKW-XJKSGUPXSA-N 1 0 259.397 2.449 10 0 CEAERO Cc1ccccc1NC(=O)CN1CC[C@H](c2cnn(C)c2)C1 ZINC000116315111 365049938 /nfs/dbraw/zinc/04/99/38/365049938.db2.gz MKYDKSUZHMBAAK-AWEZNQCLSA-N 1 0 298.390 2.157 10 0 CEAERO CC[C@@H]1CN(C(=O)Nc2ccccc2)CC[N@@H+]1CCOC ZINC000117399256 365106508 /nfs/dbraw/zinc/10/65/08/365106508.db2.gz HFZJKTSENAKBOZ-OAHLLOKOSA-N 1 0 291.395 2.261 10 0 CEAERO CCC1(C[N@@H+]2CCN(C)CC[C@H]2C)CCOCC1 ZINC000335981886 365249489 /nfs/dbraw/zinc/24/94/89/365249489.db2.gz HCRZEPQOOPBUCM-CQSZACIVSA-N 1 0 254.418 2.219 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)c2nc3ccccc3s2)C1 ZINC000119301185 365250341 /nfs/dbraw/zinc/25/03/41/365250341.db2.gz AHBSKBPJQNLZID-JTQLQIEISA-N 1 0 275.377 2.072 10 0 CEAERO CC[C@@](C)(O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000119393776 365266899 /nfs/dbraw/zinc/26/68/99/365266899.db2.gz ACDPGTKLPKLKGV-MRXNPFEDSA-N 1 0 279.380 2.223 10 0 CEAERO CC[C@](C)(O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000119393625 365267135 /nfs/dbraw/zinc/26/71/35/365267135.db2.gz ACDPGTKLPKLKGV-INIZCTEOSA-N 1 0 279.380 2.223 10 0 CEAERO COCc1ccccc1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000159077233 366874883 /nfs/dbraw/zinc/87/48/83/366874883.db2.gz VFXUGWUIJNPZDG-BBRMVZONSA-N 1 0 290.407 2.292 10 0 CEAERO CCC[C@H](C(=O)NC[C@H](C)c1c(C)noc1C)[NH+](C)C ZINC000120366347 365413984 /nfs/dbraw/zinc/41/39/84/365413984.db2.gz IBNUDDLULKJOIK-GXFFZTMASA-N 1 0 281.400 2.241 10 0 CEAERO CC[C@@H](C)C[NH+]1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000120505624 365434648 /nfs/dbraw/zinc/43/46/48/365434648.db2.gz HMVBAICDGWIUFC-CYBMUJFWSA-N 1 0 278.444 2.201 10 0 CEAERO CCC[C@@H](C(=O)N[C@H]1CCOC2(CCCC2)C1)[NH+](C)C ZINC000159231741 366891599 /nfs/dbraw/zinc/89/15/99/366891599.db2.gz LQCOFFZTYKKDFJ-KBPBESRZSA-N 1 0 282.428 2.325 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CC[C@H]1CC[C@@H](C)O1 ZINC000245422770 370816945 /nfs/dbraw/zinc/81/69/45/370816945.db2.gz AIHAAMWFEHAXTB-RBSFLKMASA-N 1 0 282.428 2.277 10 0 CEAERO CC[C@H]1CN(c2ccncc2Br)CC[C@@H]1[NH3+] ZINC000159919660 366959598 /nfs/dbraw/zinc/95/95/98/366959598.db2.gz XLOMAQJIDQFNPY-ONGXEEELSA-N 1 0 284.201 2.408 10 0 CEAERO [NH3+][C@@H](CNc1ccnc2cccnc21)c1ccccc1 ZINC000341013664 367132042 /nfs/dbraw/zinc/13/20/42/367132042.db2.gz JBYXSNPLCKDNLE-ZDUSSCGKSA-N 1 0 264.332 2.164 10 0 CEAERO CCC[C@@H](C(=O)N[C@@H](C)c1ccc(C)o1)[NH+](C)C ZINC000161569951 367098554 /nfs/dbraw/zinc/09/85/54/367098554.db2.gz GWXWGLMMPTXRAQ-RYUDHWBXSA-N 1 0 252.358 2.496 10 0 CEAERO O=C([C@H]1CCn2ccnc2C1)N1CCC[C@H]1c1ccco1 ZINC000161705358 367106776 /nfs/dbraw/zinc/10/67/76/367106776.db2.gz VHGJDPLNIJXBES-STQMWFEESA-N 1 0 285.347 2.402 10 0 CEAERO O=C([C@H]1CCn2ccnc2C1)N1CCC[C@@H]1c1ccco1 ZINC000161705469 367107180 /nfs/dbraw/zinc/10/71/80/367107180.db2.gz VHGJDPLNIJXBES-QWHCGFSZSA-N 1 0 285.347 2.402 10 0 CEAERO Cc1[nH]c2ccccc2c1C(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638906745 370833816 /nfs/dbraw/zinc/83/38/16/370833816.db2.gz YPYWCUYQVONKSD-JQWIXIFHSA-N 1 0 271.364 2.143 10 0 CEAERO CO[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400764641 294279971 /nfs/dbraw/zinc/27/99/71/294279971.db2.gz ZCJGKDZOQANDKY-FRRDWIJNSA-N 1 0 286.416 2.256 10 0 CEAERO Cc1cc(C)n2c(CN3CC[N@@H+]4CCCC[C@H]4C3)cnc2n1 ZINC000245560162 370839440 /nfs/dbraw/zinc/83/94/40/370839440.db2.gz MKHGANCGFCLSKJ-HNNXBMFYSA-N 1 0 299.422 2.016 10 0 CEAERO c1[nH]nc2cc(CN3CC[N@@H+]4CCCC[C@H]4C3)ccc12 ZINC000245553799 370839676 /nfs/dbraw/zinc/83/96/76/370839676.db2.gz GAHPXWUMFBNCGE-HNNXBMFYSA-N 1 0 270.380 2.233 10 0 CEAERO C[C@@H]1CN(C(=O)c2cc3ccccc3o2)C[C@H]1C[NH3+] ZINC000638886326 370820477 /nfs/dbraw/zinc/82/04/77/370820477.db2.gz QGPWOLLNZBZSTJ-ZYHUDNBSSA-N 1 0 258.321 2.100 10 0 CEAERO C[C@H]1CN(C(=O)CCCc2ccccc2)C[C@H]1C[NH3+] ZINC000638887621 370822067 /nfs/dbraw/zinc/82/20/67/370822067.db2.gz LOVYZQVUXHSSJK-DZGCQCFKSA-N 1 0 260.381 2.063 10 0 CEAERO CCC[C@@H](C(=O)N1CC[C@@H](OCCC(C)C)C1)[NH+](C)C ZINC000162437045 367160365 /nfs/dbraw/zinc/16/03/65/367160365.db2.gz XSWJUVMPOPOYHC-CABCVRRESA-N 1 0 284.444 2.380 10 0 CEAERO O=C(CN1CC[N@@H+]2CCC[C@H]2C1)Nc1ccc(Cl)cc1 ZINC000245482471 370827101 /nfs/dbraw/zinc/82/71/01/370827101.db2.gz ZIDPSLGTDQXIGS-AWEZNQCLSA-N 1 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O[C@@H]1CC[C@@H]2C[N@H+](CC[C@@H]3CCCCO3)C[C@H]2C1 ZINC000412048464 375539883 /nfs/dbraw/zinc/53/98/83/375539883.db2.gz QFDNZVIHESJSRV-TUVASFSCSA-N 1 0 253.386 2.038 10 0 CEAERO C[C@H](C[NH2+][C@H](C)c1cnccn1)N(C)C(=O)OC(C)(C)C ZINC000282754618 375566435 /nfs/dbraw/zinc/56/64/35/375566435.db2.gz BATNBXWXCFXUHS-VXGBXAGGSA-N 1 0 294.399 2.383 10 0 CEAERO CC(C)(C)c1ncc(C[NH2+]C[C@H](O)C(C)(C)C)cn1 ZINC000284178568 375822489 /nfs/dbraw/zinc/82/24/89/375822489.db2.gz AIMLWOXMIFNDPK-LBPRGKRZSA-N 1 0 265.401 2.271 10 0 CEAERO Cc1ncsc1CN(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000305729407 376460693 /nfs/dbraw/zinc/46/06/93/376460693.db2.gz RYUBKKMYUITZPK-NSHDSACASA-N 1 0 251.399 2.168 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)C(C)(C)C)C12CCC2 ZINC000305775588 376485901 /nfs/dbraw/zinc/48/59/01/376485901.db2.gz JYZGWTIGLHDTPE-FRRDWIJNSA-N 1 0 255.402 2.331 10 0 CEAERO CN1CC[C@H]([NH3+])[C@@H]1c1cscc1Br ZINC000306223499 376544723 /nfs/dbraw/zinc/54/47/23/376544723.db2.gz YRZZJTRRPNVMOP-IUCAKERBSA-N 1 0 261.188 2.215 10 0 CEAERO O[C@H](C[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O)CC(F)(F)F ZINC000307935583 376576310 /nfs/dbraw/zinc/57/63/10/376576310.db2.gz LLRKZLZZNSFZJX-WUHRBBMRSA-N 1 0 295.345 2.315 10 0 CEAERO CCOC(=O)c1cccnc1N[C@H](C)CCCC[NH3+] ZINC000311438815 376669114 /nfs/dbraw/zinc/66/91/14/376669114.db2.gz FXDPZVBSAAUDRC-LLVKDONJSA-N 1 0 265.357 2.188 10 0 CEAERO C[C@@H](C[NH2+]C[C@@H]1CN(C)CCO1)C1CCCCC1 ZINC000310922205 376645190 /nfs/dbraw/zinc/64/51/90/376645190.db2.gz APCXTQGIDKQXEB-DZGCQCFKSA-N 1 0 254.418 2.123 10 0 CEAERO C[C@@H](CCCC[NH3+])Nc1nccc(C(F)(F)F)n1 ZINC000310987870 376647100 /nfs/dbraw/zinc/64/71/00/376647100.db2.gz KTIYLDRNYFKUBL-QMMMGPOBSA-N 1 0 262.279 2.425 10 0 CEAERO Cc1ccc(Br)cc1NC1=[NH+]CCN1 ZINC000165691448 542120731 /nfs/dbraw/zinc/12/07/31/542120731.db2.gz DKPAVKDMVFUAOI-UHFFFAOYSA-N 1 0 254.131 2.129 10 0 CEAERO C[C@H](CN[C@@H]1CC[NH2+]C1)Oc1cccc(Cl)c1 ZINC000422922641 376862868 /nfs/dbraw/zinc/86/28/68/376862868.db2.gz QJPUOPMJBOVFBD-ZYHUDNBSSA-N 1 0 254.761 2.059 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@@H](C)CCCC(F)(F)F)C1 ZINC000165912922 542154487 /nfs/dbraw/zinc/15/44/87/542154487.db2.gz CQQLFBACCGHGLV-RYUDHWBXSA-N 1 0 282.350 2.418 10 0 CEAERO C[C@@H]1CC(C[NH2+]C[C@@H](O)CC(F)(F)F)C[C@@H](C)O1 ZINC000563002596 377055883 /nfs/dbraw/zinc/05/58/83/377055883.db2.gz HTRVVWGHXOZHDQ-KKZNHRDASA-N 1 0 269.307 2.093 10 0 CEAERO CC(C)(C)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000616570585 542156945 /nfs/dbraw/zinc/15/69/45/542156945.db2.gz NNQSPCWCERMSNP-KGLIPLIRSA-N 1 0 260.381 2.294 10 0 CEAERO CC(C)C1([NH2+]C[C@H](O)COCc2ccccc2)CC1 ZINC000292863455 377320625 /nfs/dbraw/zinc/32/06/25/377320625.db2.gz AXOUPPHHDOTRLX-HNNXBMFYSA-N 1 0 263.381 2.342 10 0 CEAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)NCc1ccccc1 ZINC000300405557 379165157 /nfs/dbraw/zinc/16/51/57/379165157.db2.gz XQJYDWGNOARZTE-ZBFHGGJFSA-N 1 0 287.407 2.455 10 0 CEAERO O=C1CC2(CN1CC1CCCCC1)CC[NH2+]CC2 ZINC000084586127 284783224 /nfs/dbraw/zinc/78/32/24/284783224.db2.gz CYWLDDZPYIDRKW-UHFFFAOYSA-N 1 0 250.386 2.169 10 0 CEAERO O=C1C[C@H]2CC[C@@H](CN1)N2c1cc[nH+]c2ccccc21 ZINC000065409268 284848082 /nfs/dbraw/zinc/84/80/82/284848082.db2.gz CKBASRYVYYACLG-NEPJUHHUSA-N 1 0 267.332 2.092 10 0 CEAERO C[C@H]([NH2+]CC(=O)N(C)[C@H]1CCCC[C@H]1C)[C@@H]1CCCO1 ZINC000183137996 542287919 /nfs/dbraw/zinc/28/79/19/542287919.db2.gz DHYIMHCAVPPDRX-QPSCCSFWSA-N 1 0 282.428 2.181 10 0 CEAERO CCC[C@](C)([NH3+])C(=O)Nc1cccc(NC(=O)CC)c1 ZINC000040809674 184548401 /nfs/dbraw/zinc/54/84/01/184548401.db2.gz DVAQPQXWPLNMST-HNNXBMFYSA-N 1 0 277.368 2.491 10 0 CEAERO COCCN(C(=[NH2+])Nc1ccccc1)[C@@H](C)COC ZINC000060393337 184567769 /nfs/dbraw/zinc/56/77/69/184567769.db2.gz KVYIRSBLYPHQCH-LBPRGKRZSA-N 1 0 265.357 2.017 10 0 CEAERO CCC[NH2+][C@@H]1CCCN(Cc2ccccc2C)C1=O ZINC000071041175 184574737 /nfs/dbraw/zinc/57/47/37/184574737.db2.gz MCLNYDMWWDLLEP-OAHLLOKOSA-N 1 0 260.381 2.486 10 0 CEAERO C[NH+](C)C(C)(C)CNc1ccc(C(N)=S)cc1 ZINC000043412100 184560238 /nfs/dbraw/zinc/56/02/38/184560238.db2.gz BJBNRWZOQRZGFD-UHFFFAOYSA-N 1 0 251.399 2.073 10 0 CEAERO Cc1ccnc(SCc2cccc(C(N)=[NH2+])c2)n1 ZINC000051331683 184565588 /nfs/dbraw/zinc/56/55/88/184565588.db2.gz NYBYTDSSDNZYAP-UHFFFAOYSA-N 1 0 258.350 2.361 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(SCCN2CCNC2=O)cc1 ZINC000079578661 184593910 /nfs/dbraw/zinc/59/39/10/184593910.db2.gz URDPHSSUBLVQGX-NSHDSACASA-N 1 0 279.409 2.084 10 0 CEAERO Ic1ccc(N[C@H]2CC[NH2+]C2)cc1 ZINC000086725917 184610356 /nfs/dbraw/zinc/61/03/56/184610356.db2.gz HCWWDXRHZXUVCY-JTQLQIEISA-N 1 0 288.132 2.065 10 0 CEAERO C[C@H](O[C@]1(C[NH3+])CC[C@@H](C)C1)C(=O)NC1CCCCC1 ZINC000086724290 184610537 /nfs/dbraw/zinc/61/05/37/184610537.db2.gz FDSCKSLONCOUFT-DVOMOZLQSA-N 1 0 282.428 2.358 10 0 CEAERO CC(C)OC[C@H](O)COC1(C[NH3+])CCC(C)(C)CC1 ZINC000086712003 184610592 /nfs/dbraw/zinc/61/05/92/184610592.db2.gz XCJNWIJGYWNZDP-ZDUSSCGKSA-N 1 0 273.417 2.087 10 0 CEAERO C[NH2+][C@@H](CN(C)C)c1cc(Br)ccc1F ZINC000086733761 184611868 /nfs/dbraw/zinc/61/18/68/184611868.db2.gz FVWWCTDPZTVFCU-NSHDSACASA-N 1 0 275.165 2.410 10 0 CEAERO CCC[NH2+]Cc1cc(S(=O)(=O)N2CCCC2)ccc1C ZINC000088905327 184613875 /nfs/dbraw/zinc/61/38/75/184613875.db2.gz CSLOEAOBRIKSEQ-UHFFFAOYSA-N 1 0 296.436 2.279 10 0 CEAERO Cc1cc(C[NH3+])cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC000088905055 184613889 /nfs/dbraw/zinc/61/38/89/184613889.db2.gz MPTJFWMSAANRHF-UHFFFAOYSA-N 1 0 296.436 2.183 10 0 CEAERO CC[NH2+]Cc1cc(S(=O)(=O)N(CC)C2CC2)ccc1C ZINC000088940708 184614212 /nfs/dbraw/zinc/61/42/12/184614212.db2.gz CGELXVCOTPEZCL-UHFFFAOYSA-N 1 0 296.436 2.278 10 0 CEAERO C[C@@H]1CCCN(C(=O)OC[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000092744928 184624983 /nfs/dbraw/zinc/62/49/83/184624983.db2.gz STIRRDSLHXQJCW-UPJWGTAASA-N 1 0 254.374 2.230 10 0 CEAERO COc1ccc2c(c1)[C@@H]([NH2+]CCCc1nnc[nH]1)CC2 ZINC000092837593 184630674 /nfs/dbraw/zinc/63/06/74/184630674.db2.gz ZYWPMJOSYNSECQ-AWEZNQCLSA-N 1 0 272.352 2.023 10 0 CEAERO CC[N@@H+]1C[C@H](C)[C@H](NCc2ccc(Br)o2)C1 ZINC000381296586 542351882 /nfs/dbraw/zinc/35/18/82/542351882.db2.gz GQZNTNRRUXMGFN-GXSJLCMTSA-N 1 0 287.201 2.472 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+]CCC(=O)NC2CC2)C12CCCCC2 ZINC000092986704 184641422 /nfs/dbraw/zinc/64/14/22/184641422.db2.gz NHTCMHNQIWOMGZ-CABCVRRESA-N 1 0 294.439 2.373 10 0 CEAERO Cc1cccc(C2(Cc3ncnn3C(C)C)C[NH2+]C2)c1 ZINC000093196491 184654703 /nfs/dbraw/zinc/65/47/03/184654703.db2.gz OVPNIYIBTZABOR-UHFFFAOYSA-N 1 0 270.380 2.251 10 0 CEAERO CC(C)n1ncnc1CC1(c2cccc(F)c2)C[NH2+]C1 ZINC000093196610 184654858 /nfs/dbraw/zinc/65/48/58/184654858.db2.gz CELCQLQAYWTVNG-UHFFFAOYSA-N 1 0 274.343 2.082 10 0 CEAERO [NH3+][C@H]1CC[C@H](Nc2ccc(NC(=O)C3CC3)cc2)C1 ZINC000093205491 184655187 /nfs/dbraw/zinc/65/51/87/184655187.db2.gz QCVPNTMZOYPTHW-FZMZJTMJSA-N 1 0 259.353 2.327 10 0 CEAERO COc1cc(C)c(N[C@@H]2CC[C@@H]([NH3+])C2)cc1OC ZINC000093206668 184655611 /nfs/dbraw/zinc/65/56/11/184655611.db2.gz YRWUCZAHFCECGV-GHMZBOCLSA-N 1 0 250.342 2.304 10 0 CEAERO COc1cc(N[C@@H]2CCC[C@@H]([NH3+])C2)cc(OC)c1OC ZINC000093209459 184655673 /nfs/dbraw/zinc/65/56/73/184655673.db2.gz PMWZRWYCWQNNJF-GHMZBOCLSA-N 1 0 280.368 2.394 10 0 CEAERO COC(=O)[C@@H](C)[C@@H](C)[NH+]1CCc2ccccc2CC1 ZINC000093037278 184644105 /nfs/dbraw/zinc/64/41/05/184644105.db2.gz XMIHORYUZBIMHM-QWHCGFSZSA-N 1 0 261.365 2.285 10 0 CEAERO CCC[C@H](C[NH3+])[C@@](C)(O)Cc1ccc(OC)cc1 ZINC000093083139 184646917 /nfs/dbraw/zinc/64/69/17/184646917.db2.gz TXNHRROSKJBNGD-HIFRSBDPSA-N 1 0 251.370 2.364 10 0 CEAERO CCC[C@@H](C[NH3+])[C@@H](O)c1ccc(OC)c(OC)c1OC ZINC000093080986 184647093 /nfs/dbraw/zinc/64/70/93/184647093.db2.gz AFPKUXHGMNEZOX-GXFFZTMASA-N 1 0 283.368 2.121 10 0 CEAERO [NH3+][C@@H]1CC[C@H](Nc2ccc(Cn3cccn3)cc2)C1 ZINC000093207609 184655836 /nfs/dbraw/zinc/65/58/36/184655836.db2.gz XJXLHXGSUSCDBP-HIFRSBDPSA-N 1 0 256.353 2.223 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](Nc2cc3c(cc2F)CCC(=O)N3)C1 ZINC000093206845 184656052 /nfs/dbraw/zinc/65/60/52/184656052.db2.gz FJKDRRPTZBMIKD-NXEZZACHSA-N 1 0 263.316 2.002 10 0 CEAERO Brc1cccc(N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000086933273 532969405 /nfs/dbraw/zinc/96/94/05/532969405.db2.gz QADBXRWQMBEPLX-SNVBAGLBSA-N 1 0 282.185 2.129 10 0 CEAERO Cc1cc(C)c(S(=O)(=O)N[C@H]2CCC[NH2+][C@@H]2C)c(C)c1 ZINC000189323599 291822877 /nfs/dbraw/zinc/82/28/77/291822877.db2.gz MOAIWMYCXXSSKN-KGLIPLIRSA-N 1 0 296.436 2.031 10 0 CEAERO O=C1NCCC[C@@H]1C[N@@H+]1CCC2(C1)CCCCC2 ZINC000334556016 296367737 /nfs/dbraw/zinc/36/77/37/296367737.db2.gz DSWJBODMEBDYPL-CYBMUJFWSA-N 1 0 250.386 2.169 10 0 CEAERO C[C@@H]1CN(C(=O)c2cc(Cl)c3ccccc3n2)C[C@H]1[NH3+] ZINC000335380534 208322119 /nfs/dbraw/zinc/32/21/19/208322119.db2.gz MMRBLAQHZSRQGB-BXKDBHETSA-N 1 0 289.766 2.307 10 0 CEAERO CCc1nnc(CN2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)s1 ZINC000392061658 542375495 /nfs/dbraw/zinc/37/54/95/542375495.db2.gz CSPLROMTEUZPBT-NEPJUHHUSA-N 1 0 280.441 2.159 10 0 CEAERO O=C(NCC[C@H]1CCCC[NH2+]1)OCc1ccccc1 ZINC000725244922 542374245 /nfs/dbraw/zinc/37/42/45/542374245.db2.gz ZMQKFISTONPNBO-CQSZACIVSA-N 1 0 262.353 2.445 10 0 CEAERO C[C@@]1(c2ccc(F)cc2Cl)CNC(=[NH2+])N1C1CC1 ZINC000093373766 184668024 /nfs/dbraw/zinc/66/80/24/184668024.db2.gz IHMIMQICMHQVKH-ZDUSSCGKSA-N 1 0 267.735 2.487 10 0 CEAERO CC(C)[C@@H]1C[C@@]2(C[NH+]=C(N)N2c2ccccc2)CCO1 ZINC000093381962 184669274 /nfs/dbraw/zinc/66/92/74/184669274.db2.gz WQYURQQPMVLEOQ-GOEBONIOSA-N 1 0 273.380 2.395 10 0 CEAERO CCN(C[C@@H]1CCCO1)c1cccc(F)c1C(N)=[NH2+] ZINC000093408803 184671502 /nfs/dbraw/zinc/67/15/02/184671502.db2.gz NWNBANQJYNJWIC-JTQLQIEISA-N 1 0 265.332 2.115 10 0 CEAERO COc1ccc2nc([C@H](C)N3CC[NH2+]CC3)sc2c1 ZINC000093420814 184673459 /nfs/dbraw/zinc/67/34/59/184673459.db2.gz ZBVFFUVJNBLJFB-JTQLQIEISA-N 1 0 277.393 2.271 10 0 CEAERO [NH3+]CC1CCC(C(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000093425058 184674329 /nfs/dbraw/zinc/67/43/29/184674329.db2.gz VSIRQVNHHFTZDB-PIMMBPRGSA-N 1 0 288.391 2.392 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)N(C)[C@@H](C)CC(C)C ZINC000177708422 285273208 /nfs/dbraw/zinc/27/32/08/285273208.db2.gz QBKAFSCIUILPQX-HOTGVXAUSA-N 1 0 297.487 2.296 10 0 CEAERO CCC[NH2+][C@H](C)CCS(=O)(=O)c1cccs1 ZINC000081927386 177899500 /nfs/dbraw/zinc/89/95/00/177899500.db2.gz RMDSJOINOZIUEI-SNVBAGLBSA-N 1 0 261.412 2.300 10 0 CEAERO CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1Sc1nnc(C)n1C ZINC000081886561 177877995 /nfs/dbraw/zinc/87/79/95/177877995.db2.gz VXJRGSBTVSJFOL-DLOVCJGASA-N 1 0 268.430 2.382 10 0 CEAERO CC[NH2+][C@@H](CSc1nnc(C)n1C)C(C)(C)C ZINC000081886097 177877287 /nfs/dbraw/zinc/87/72/87/177877287.db2.gz KDAGGTBFJQYKTP-JTQLQIEISA-N 1 0 256.419 2.240 10 0 CEAERO CC[C@H]([NH3+])[C@H](C)Sc1nnnn1C1CCCC1 ZINC000081866650 177866705 /nfs/dbraw/zinc/86/67/05/177866705.db2.gz CYJHHEGDCMUPGY-WPRPVWTQSA-N 1 0 255.391 2.006 10 0 CEAERO CCC[NH2+][C@@H]1CCCCC[C@H]1Sc1nnnn1C ZINC000081844169 177866147 /nfs/dbraw/zinc/86/61/47/177866147.db2.gz DIVCFOOUQULDJL-GHMZBOCLSA-N 1 0 269.418 2.003 10 0 CEAERO C[C@H](NC(=O)CC1C[NH2+]C1)c1ccc(Cl)cc1 ZINC000081765861 177854979 /nfs/dbraw/zinc/85/49/79/177854979.db2.gz YOFCDULYGZAZRX-VIFPVBQESA-N 1 0 252.745 2.127 10 0 CEAERO FC(F)(F)c1ccnc(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000081586854 177825356 /nfs/dbraw/zinc/82/53/56/177825356.db2.gz ZMZGQHPBVPCPRD-JVHMLUBASA-N 1 0 272.274 2.190 10 0 CEAERO O[C@@H]1CCCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccon1 ZINC000337307834 285312666 /nfs/dbraw/zinc/31/26/66/285312666.db2.gz UTVLBJQUUFHMGI-MGPQQGTHSA-N 1 0 250.342 2.190 10 0 CEAERO CCC[NH2+]Cc1ccc(N2CC[C@H](COC)C2)nc1 ZINC000081117418 177773988 /nfs/dbraw/zinc/77/39/88/177773988.db2.gz CZOMUBOLOCCSBD-AWEZNQCLSA-N 1 0 263.385 2.054 10 0 CEAERO COC[C@@H]1CCN(c2ncc(C[NH2+]C3CC3)cc2Cl)C1 ZINC000081117380 177773254 /nfs/dbraw/zinc/77/32/54/177773254.db2.gz PMDJQTJVLUBRBU-LLVKDONJSA-N 1 0 295.814 2.460 10 0 CEAERO CC[NH2+][C@@H](C)c1csc(N2CCC(OC)CC2)n1 ZINC000080814811 177710910 /nfs/dbraw/zinc/71/09/10/177710910.db2.gz NUATXEQZQZUAOI-JTQLQIEISA-N 1 0 269.414 2.429 10 0 CEAERO CCOC(=O)C[C@@H](c1ccc(OC)cc1OC)[NH+](C)C ZINC000080705742 177694834 /nfs/dbraw/zinc/69/48/34/177694834.db2.gz RKCHFMNTQKARBR-ZDUSSCGKSA-N 1 0 281.352 2.260 10 0 CEAERO C[C@H](NC[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+])c1nccs1 ZINC000080310334 177638205 /nfs/dbraw/zinc/63/82/05/177638205.db2.gz JLHNTGQZGNIWCH-OSUNSFLBSA-N 1 0 251.399 2.167 10 0 CEAERO C[C@@H](CCc1ccco1)[NH2+]CC(C)(C)S(C)(=O)=O ZINC000093521161 184687606 /nfs/dbraw/zinc/68/76/06/184687606.db2.gz SANKDXXHXVYCNK-NSHDSACASA-N 1 0 273.398 2.014 10 0 CEAERO CCC[NH2+][C@@H](COC(C)C)[C@@](C)(CC)N1CCOCC1 ZINC000093550224 184688821 /nfs/dbraw/zinc/68/88/21/184688821.db2.gz FOUTWBHQNVSZDU-JKSUJKDBSA-N 1 0 286.460 2.281 10 0 CEAERO C[NH2+][C@@]1(CO)CCC[C@@H]1CCOc1cc(F)cc(F)c1 ZINC000093619322 184696572 /nfs/dbraw/zinc/69/65/72/184696572.db2.gz FSSHHIDZSXVYMU-IAQYHMDHSA-N 1 0 285.334 2.484 10 0 CEAERO C[NH2+][C@]1(CO)CCC[C@H]1CCSc1ncc(C)cn1 ZINC000093623295 184697624 /nfs/dbraw/zinc/69/76/24/184697624.db2.gz KKXQJOOTRYTOKG-JSGCOSHPSA-N 1 0 281.425 2.018 10 0 CEAERO CC[NH2+][C@@]1(C(N)=O)CCC[C@H]1CCOc1cccc(C)c1 ZINC000093624886 184698041 /nfs/dbraw/zinc/69/80/41/184698041.db2.gz JJZDBFYRWRDXKA-YOEHRIQHSA-N 1 0 290.407 2.398 10 0 CEAERO CC(C)[NH2+][C@]1(C(N)=O)CCC[C@H]1CCOc1ccccc1 ZINC000093625009 184698328 /nfs/dbraw/zinc/69/83/28/184698328.db2.gz SZWVCQUBEDXHOS-WMLDXEAASA-N 1 0 290.407 2.478 10 0 CEAERO Cc1nn(CC[C@@H]2CCC[C@]2(O)C[NH3+])c(C)c1Cl ZINC000093627293 184698636 /nfs/dbraw/zinc/69/86/36/184698636.db2.gz GJMWSIAIDANIIL-AAEUAGOBSA-N 1 0 271.792 2.033 10 0 CEAERO Cc1c([C@@H](C[NH3+])Nc2ccccc2Cl)cnn1C ZINC000093650928 184702558 /nfs/dbraw/zinc/70/25/58/184702558.db2.gz IXYBJTHRXRHGDN-CYBMUJFWSA-N 1 0 264.760 2.494 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccn(C(C)C)n1)[C@H](C)OC ZINC000093692192 184707684 /nfs/dbraw/zinc/70/76/84/184707684.db2.gz IJVFHKDZZMDILT-JSGCOSHPSA-N 1 0 253.390 2.410 10 0 CEAERO CC[N@H+](Cc1ccccc1N)CC(C)(C)C(=O)OC ZINC000093717692 184708964 /nfs/dbraw/zinc/70/89/64/184708964.db2.gz ZQOCCGPVDSAJMI-UHFFFAOYSA-N 1 0 264.369 2.290 10 0 CEAERO CC[NH2+][C@@H](C)c1cccn1CC(C)(C)C(=O)OC ZINC000093718782 184709143 /nfs/dbraw/zinc/70/91/43/184709143.db2.gz ZTGSLKXOJKBHSA-NSHDSACASA-N 1 0 252.358 2.358 10 0 CEAERO CC[NH2+][C@@H](Cc1ccsc1)[C@H]1CN(C(C)C)CCO1 ZINC000093927521 184744674 /nfs/dbraw/zinc/74/46/74/184744674.db2.gz CRQWXFDECBSZBD-LSDHHAIUSA-N 1 0 282.453 2.378 10 0 CEAERO CCCOCCC(=O)N(CC1CC[NH2+]CC1)C(C)C ZINC000094023146 184751152 /nfs/dbraw/zinc/75/11/52/184751152.db2.gz VLTZUSDLPGRPIE-UHFFFAOYSA-N 1 0 270.417 2.040 10 0 CEAERO COC(=O)c1ccc(F)cc1NC1CCC([NH3+])CC1 ZINC000094080481 184754056 /nfs/dbraw/zinc/75/40/56/184754056.db2.gz XKUXJICZZLCANW-UHFFFAOYSA-N 1 0 266.316 2.294 10 0 CEAERO C[NH2+][C@H](c1ccn(C)n1)[C@@H]1CCCc2cccnc21 ZINC000094135849 184755735 /nfs/dbraw/zinc/75/57/35/184755735.db2.gz RMUIEMDSLLZTMO-DOMZBBRYSA-N 1 0 256.353 2.196 10 0 CEAERO Cn1c(C[C@@H]([NH3+])C[C@H]2CCCO2)nc2ccccc21 ZINC000094170663 184759342 /nfs/dbraw/zinc/75/93/42/184759342.db2.gz WTJCHVUZTFFANT-NWDGAFQWSA-N 1 0 259.353 2.012 10 0 CEAERO Cc1cc2nnc(CC[C@H]([NH3+])c3ccccc3)n2c(C)n1 ZINC000094258895 184770590 /nfs/dbraw/zinc/77/05/90/184770590.db2.gz OJPKCMVUHQVOPE-AWEZNQCLSA-N 1 0 281.363 2.374 10 0 CEAERO CCOc1ccc2nc(-c3cccc(C[NH3+])c3)[nH]c2n1 ZINC000094262537 184771061 /nfs/dbraw/zinc/77/10/61/184771061.db2.gz VBVYRQITRLGDHV-UHFFFAOYSA-N 1 0 268.320 2.482 10 0 CEAERO COc1cc(N)ccc1SC[C@@H]1CCC[NH2+]C1 ZINC000094269366 184773703 /nfs/dbraw/zinc/77/37/03/184773703.db2.gz SAULBFHXVKFREX-SNVBAGLBSA-N 1 0 252.383 2.369 10 0 CEAERO C[NH2+][C@H]1[C@H](SCCC(=O)OC)CCCC1(C)C ZINC000094283076 184775087 /nfs/dbraw/zinc/77/50/87/184775087.db2.gz GPJDLYUHXGLILR-PWSUYJOCSA-N 1 0 259.415 2.449 10 0 CEAERO C[C@H]([NH3+])Cc1cc(F)c(OC[C@H]2CCOC2)c(F)c1 ZINC000094350125 184786809 /nfs/dbraw/zinc/78/68/09/184786809.db2.gz ZGGVKPMMPZRVEP-UWVGGRQHSA-N 1 0 271.307 2.270 10 0 CEAERO CCC(CC)(C[NH3+])O[C@@H]1CCOC2(CCOCC2)C1 ZINC000094361860 184788820 /nfs/dbraw/zinc/78/88/20/184788820.db2.gz RPRLMGWEQJFOEY-CYBMUJFWSA-N 1 0 271.401 2.249 10 0 CEAERO OCC1([NH2+][C@H]2CCOC3(CCC3)C2)CCCCC1 ZINC000094371981 184790781 /nfs/dbraw/zinc/79/07/81/184790781.db2.gz ISYKPKPFLMXVAQ-ZDUSSCGKSA-N 1 0 253.386 2.373 10 0 CEAERO Cc1ccccc1CC[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000094375093 184790963 /nfs/dbraw/zinc/79/09/63/184790963.db2.gz COOMMPUCAKNDMZ-DLBZAZTESA-N 1 0 275.392 2.465 10 0 CEAERO C(O[C@H]1CCOC2(CCSCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000094380900 184791587 /nfs/dbraw/zinc/79/15/87/184791587.db2.gz OTGMMYDJBVAALE-STQMWFEESA-N 1 0 271.426 2.200 10 0 CEAERO CCC[NH2+][C@@H](CCOC)[C@H]1CCOC2(CCOCC2)C1 ZINC000094400571 184793211 /nfs/dbraw/zinc/79/32/11/184793211.db2.gz QJLNPBNIPDVVFC-GJZGRUSLSA-N 1 0 285.428 2.367 10 0 CEAERO OC[C@H]1CCCC[N@@H+]1[C@@H]1CCOC2(CCSCC2)C1 ZINC000094410841 184794645 /nfs/dbraw/zinc/79/46/45/184794645.db2.gz CSIIJXQIOQTRDT-ZIAGYGMSSA-N 1 0 285.453 2.278 10 0 CEAERO CC[NH2+]CC[C@](C)(O)[C@H]1CCOC2(CCCC2)C1 ZINC000094418632 184795233 /nfs/dbraw/zinc/79/52/33/184795233.db2.gz BFSATMGUIIEYEW-KBPBESRZSA-N 1 0 255.402 2.476 10 0 CEAERO Cc1cc(C)n2c(nnc2[C@H]2CCCCC[C@H]2[NH3+])n1 ZINC000094746720 184852196 /nfs/dbraw/zinc/85/21/96/184852196.db2.gz JTIXHKUXYJSNPX-NWDGAFQWSA-N 1 0 259.357 2.116 10 0 CEAERO CC(C)n1nccc1NC(=O)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000094748995 184852278 /nfs/dbraw/zinc/85/22/78/184852278.db2.gz LEDVYGRIPCMJSI-RYUDHWBXSA-N 1 0 264.373 2.310 10 0 CEAERO Cc1occc1CN(C)C(=O)[C@H]1CCCCC[C@H]1[NH3+] ZINC000094752813 184853227 /nfs/dbraw/zinc/85/32/27/184853227.db2.gz IYFHVCVBPRDXOU-UONOGXRCSA-N 1 0 264.369 2.454 10 0 CEAERO C[NH2+]C(C)(C)c1nc(-c2ccc(Cl)cn2)no1 ZINC000094842579 184879469 /nfs/dbraw/zinc/87/94/69/184879469.db2.gz ZFCPYWCAZFCXBB-UHFFFAOYSA-N 1 0 252.705 2.240 10 0 CEAERO C[NH2+]C[C@H](C)c1c(C)nc([C@]2(C)CCCO2)nc1C ZINC000094785760 184863511 /nfs/dbraw/zinc/86/35/11/184863511.db2.gz VFDMPOJRQJQZEP-BONVTDFDSA-N 1 0 263.385 2.442 10 0 CEAERO CCC1(CC)CCN(S(=O)(=O)c2ccc(C[NH3+])cc2)C1 ZINC000094801006 184868579 /nfs/dbraw/zinc/86/85/79/184868579.db2.gz RAILQPMJSIRMMQ-UHFFFAOYSA-N 1 0 296.436 2.346 10 0 CEAERO C[NH2+]CCCc1c(C)nc([C@H]2CSCCO2)nc1C ZINC000094505452 184812133 /nfs/dbraw/zinc/81/21/33/184812133.db2.gz JNVVXOQGRCCONQ-CYBMUJFWSA-N 1 0 281.425 2.050 10 0 CEAERO CC1(C)Cc2nc([C@H]3CSCCO3)ncc2[C@@H]([NH3+])C1 ZINC000094505122 184812349 /nfs/dbraw/zinc/81/23/49/184812349.db2.gz IBCPNNBHDKESGJ-CMPLNLGQSA-N 1 0 279.409 2.253 10 0 CEAERO C[C@@H]1CN([C@@H](C[NH3+])c2ccc(C3CC3)cc2)CCO1 ZINC000094520443 184813972 /nfs/dbraw/zinc/81/39/72/184813972.db2.gz SKEVUAQQHNKPQE-WBMJQRKESA-N 1 0 260.381 2.285 10 0 CEAERO COc1cc(Cl)ccc1C(=O)N1C[C@H]([NH3+])C[C@H](C)C1 ZINC000094549473 184815656 /nfs/dbraw/zinc/81/56/56/184815656.db2.gz BKZMNMAYNMJXKQ-GXSJLCMTSA-N 1 0 282.771 2.158 10 0 CEAERO C[C@H]1C[C@H]([NH3+])CN(C(=O)c2cccc(Br)c2)C1 ZINC000094549823 184816678 /nfs/dbraw/zinc/81/66/78/184816678.db2.gz YYLIMBGGVDHLQD-CABZTGNLSA-N 1 0 297.196 2.258 10 0 CEAERO C[C@@H]1C[C@H]([NH3+])CN(Cc2cc(Cl)cc3c2OCOC3)C1 ZINC000094550951 184817013 /nfs/dbraw/zinc/81/70/13/184817013.db2.gz GBPJVSPUSJYZGO-YGRLFVJLSA-N 1 0 296.798 2.376 10 0 CEAERO Cc1cc(OC(C)C)ccc1NC(=O)[C@H]1CC[C@H](C[NH3+])O1 ZINC000094567540 184819853 /nfs/dbraw/zinc/81/98/53/184819853.db2.gz FDICQTIPQUJPIQ-UKRRQHHQSA-N 1 0 292.379 2.227 10 0 CEAERO COc1ccc(C[C@@H]([NH3+])[C@H]2CCOC3(CCC3)C2)cn1 ZINC000094632493 184829177 /nfs/dbraw/zinc/82/91/77/184829177.db2.gz RZBNTPIBSPWOGI-UONOGXRCSA-N 1 0 276.380 2.309 10 0 CEAERO NC(=O)[C@]1([NH3+])CCC[C@H](Sc2cc3ccccc3[nH]2)C1 ZINC000094630030 184829857 /nfs/dbraw/zinc/82/98/57/184829857.db2.gz GRPBAQBWGGIZIL-NHYWBVRUSA-N 1 0 289.404 2.385 10 0 CEAERO COc1ccc(CN(C)C(=O)[C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC000094647435 184833235 /nfs/dbraw/zinc/83/32/35/184833235.db2.gz ZRSYGVPLUYHULW-SWLSCSKDSA-N 1 0 276.380 2.042 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000094648217 184834083 /nfs/dbraw/zinc/83/40/83/184834083.db2.gz AVDDNAYABOJQSV-IONNQARKSA-N 1 0 272.270 2.431 10 0 CEAERO COc1cc(OC)cc([C@H]([NH3+])C[C@@H]2CCCO2)c1 ZINC000094650851 184834393 /nfs/dbraw/zinc/83/43/93/184834393.db2.gz DKOSXIJWMRLTNC-SMDDNHRTSA-N 1 0 251.326 2.273 10 0 CEAERO COCC[NH2+][C@@H](C)[C@H](C)c1cc(OC)ccc1OC ZINC000094656665 184835756 /nfs/dbraw/zinc/83/57/56/184835756.db2.gz RVRXZMUDMQYDJX-RYUDHWBXSA-N 1 0 267.369 2.432 10 0 CEAERO Clc1ccc(-c2noc(CC3CC[NH2+]CC3)n2)nc1 ZINC000094842586 184878953 /nfs/dbraw/zinc/87/89/53/184878953.db2.gz DOJPGBJYMQPXBN-UHFFFAOYSA-N 1 0 278.743 2.327 10 0 CEAERO COC(=O)c1ccc(NC(=O)[C@@H](C[NH3+])CC(C)C)c(C)c1 ZINC000094698024 184841531 /nfs/dbraw/zinc/84/15/31/184841531.db2.gz MFLZVKFGTPFXQY-CYBMUJFWSA-N 1 0 292.379 2.341 10 0 CEAERO CC[NH+](CC)CCOc1cc(C)c(N)c(C(=O)OC)c1 ZINC000094696269 184841871 /nfs/dbraw/zinc/84/18/71/184841871.db2.gz BQFSTAGVAATISL-UHFFFAOYSA-N 1 0 280.368 2.084 10 0 CEAERO COc1cc(NC(=O)[C@H](C[NH3+])CC(C)C)cc(OC)c1 ZINC000094696703 184841886 /nfs/dbraw/zinc/84/18/86/184841886.db2.gz HCPLDKYYJZUVIU-NSHDSACASA-N 1 0 280.368 2.263 10 0 CEAERO CC(C)C[C@H](C[NH3+])C(=O)N[C@@H]1CCc2ccccc2C1 ZINC000094700017 184842707 /nfs/dbraw/zinc/84/27/07/184842707.db2.gz RONIVGWDMIXZRH-HZPDHXFCSA-N 1 0 274.408 2.281 10 0 CEAERO O=C(Cc1cccc(F)c1F)N1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000094713531 184845454 /nfs/dbraw/zinc/84/54/54/184845454.db2.gz LAQZIGWTKVSALP-ZIAGYGMSSA-N 1 0 294.345 2.250 10 0 CEAERO CCC(CC)([C@H](O)Cc1nc(C)cs1)[NH+](C)C ZINC000094972315 184909114 /nfs/dbraw/zinc/90/91/14/184909114.db2.gz HTCVRFWWUPDWOU-LLVKDONJSA-N 1 0 256.415 2.475 10 0 CEAERO Cc1csc(C[C@]2([NH3+])COc3ccccc3C2)n1 ZINC000094982081 184910052 /nfs/dbraw/zinc/91/00/52/184910052.db2.gz IIRJWEUJPFAKTF-AWEZNQCLSA-N 1 0 260.362 2.327 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccnc(N(CCOC)CCOC)c1 ZINC000094998613 184911980 /nfs/dbraw/zinc/91/19/80/184911980.db2.gz KANIBLUXRODWST-AWEZNQCLSA-N 1 0 295.427 2.241 10 0 CEAERO COc1ncccc1CN1C[C@@H](C(C)C)[NH2+]CC1(C)C ZINC000095011374 184915761 /nfs/dbraw/zinc/91/57/61/184915761.db2.gz XQMXPEJFAHEGQG-AWEZNQCLSA-N 1 0 277.412 2.299 10 0 CEAERO Clc1ccc(OCCC[C@@H]2CCCC[NH2+]2)nn1 ZINC000095069971 184931743 /nfs/dbraw/zinc/93/17/43/184931743.db2.gz WPTVDGOGQHPSBH-JTQLQIEISA-N 1 0 255.749 2.431 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)NCc1cc(C)c(F)c(C)c1 ZINC000094894548 184888963 /nfs/dbraw/zinc/88/89/63/184888963.db2.gz KBDKVQHGEDTDKJ-LBPRGKRZSA-N 1 0 266.360 2.447 10 0 CEAERO CC[NH2+][C@H]1CCCN(CCc2ccc(F)cc2C)C1=O ZINC000094962695 184905936 /nfs/dbraw/zinc/90/59/36/184905936.db2.gz BPFPEGFKRLHBTR-HNNXBMFYSA-N 1 0 278.371 2.277 10 0 CEAERO CC[C@H](CC[NH3+])CNC(=O)Nc1ccccc1OC ZINC000094962197 184905963 /nfs/dbraw/zinc/90/59/63/184905963.db2.gz SAMBXQUTDHQPIH-LLVKDONJSA-N 1 0 265.357 2.192 10 0 CEAERO CC[C@@H](CC[NH3+])CNC(=O)c1ccc2c(c1)CCC2 ZINC000094961743 184906153 /nfs/dbraw/zinc/90/61/53/184906153.db2.gz TUUIUOUCRRCNDG-LBPRGKRZSA-N 1 0 260.381 2.280 10 0 CEAERO CC[C@@H](CC[NH3+])CNC(=O)Cc1ccc(C)c(C)c1 ZINC000094961984 184906562 /nfs/dbraw/zinc/90/65/62/184906562.db2.gz OGGMLRCCHKQDST-AWEZNQCLSA-N 1 0 262.397 2.337 10 0 CEAERO C[NH2+][C@@H](Cc1nc(C)c(C)s1)C[C@H]1CCCO1 ZINC000094972672 184909026 /nfs/dbraw/zinc/90/90/26/184909026.db2.gz SHMZKHCUNUREFN-VXGBXAGGSA-N 1 0 254.399 2.460 10 0 CEAERO CC(C)CS(=O)(=O)N1CCC(C[NH2+]C(C)(C)C)CC1 ZINC000080193909 177623049 /nfs/dbraw/zinc/62/30/49/177623049.db2.gz JHZKJCJZVGKOSG-UHFFFAOYSA-N 1 0 290.473 2.072 10 0 CEAERO C[C@@H]([NH2+]CCF)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400411020 533392199 /nfs/dbraw/zinc/39/21/99/533392199.db2.gz UBVVECKQICCCQT-GHMZBOCLSA-N 1 0 260.353 2.191 10 0 CEAERO C[C@@H](NCc1ccccc1OC(F)F)[C@H]1CC[NH2+]C1 ZINC000400485048 533459955 /nfs/dbraw/zinc/45/99/55/533459955.db2.gz XCVLLRCCJAJPMG-MNOVXSKESA-N 1 0 270.323 2.376 10 0 CEAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC000233417621 130930217 /nfs/dbraw/zinc/93/02/17/130930217.db2.gz ZFIZJPPRMPBWQF-RYUDHWBXSA-N 1 0 260.337 2.296 10 0 CEAERO C[C@@H]1CN(Cc2ccc(Cl)nc2)C[C@H]1[NH+](C)C ZINC000251768694 131131891 /nfs/dbraw/zinc/13/18/91/131131891.db2.gz MGBKHROIYDKQEC-ZYHUDNBSSA-N 1 0 253.777 2.117 10 0 CEAERO C[C@@H]1CN(Cc2cncc(Br)c2)C[C@H]1[NH+](C)C ZINC000252731817 131138475 /nfs/dbraw/zinc/13/84/75/131138475.db2.gz RRCLVGCPYQXULN-ZWNOBZJWSA-N 1 0 298.228 2.226 10 0 CEAERO CCC[C@](C)([NH3+])C(=O)NCc1ccnc(O[C@@H](C)CC)c1 ZINC000262101169 131190956 /nfs/dbraw/zinc/19/09/56/131190956.db2.gz CWNMPCOSYYPZAG-LRDDRELGSA-N 1 0 293.411 2.393 10 0 CEAERO CCC[C@](C)([NH3+])C(=O)Nc1cccc(C[S@@](C)=O)c1 ZINC000262717043 131254911 /nfs/dbraw/zinc/25/49/11/131254911.db2.gz VZOBATWBZGVOQI-IFXJQAMLSA-N 1 0 282.409 2.021 10 0 CEAERO [NH3+]C1CCN(c2cncc(OC3CCCC3)c2)CC1 ZINC000070488290 134950196 /nfs/dbraw/zinc/95/01/96/134950196.db2.gz IOSQTJKFDKNEJD-UHFFFAOYSA-N 1 0 261.369 2.331 10 0 CEAERO CC[NH2+][C@@H]1CCN(CCCC(=O)N(C)C)c2ccccc21 ZINC000071377888 134965151 /nfs/dbraw/zinc/96/51/51/134965151.db2.gz BIXGTFLISKYMNJ-OAHLLOKOSA-N 1 0 289.423 2.416 10 0 CEAERO C[C@@H]1CN(c2ccc(Br)cc2N)CC[N@@H+]1C ZINC000082477599 135007437 /nfs/dbraw/zinc/00/74/37/135007437.db2.gz LYLNYOPOOUVGFA-SECBINFHSA-N 1 0 284.201 2.172 10 0 CEAERO Cc1ccc2c(c1)CCCN2CCC[C@](C)(O)C[NH3+] ZINC000085303970 135035587 /nfs/dbraw/zinc/03/55/87/135035587.db2.gz GQTPNNGYELQPLA-INIZCTEOSA-N 1 0 262.397 2.238 10 0 CEAERO CN(C)c1ccc(N2CC[NH2+]C3(CCCC3)C2)cc1 ZINC000086128200 135039202 /nfs/dbraw/zinc/03/92/02/135039202.db2.gz TYSPQDHSMZHWEN-UHFFFAOYSA-N 1 0 259.397 2.475 10 0 CEAERO COc1cc(OC)cc(N2C[C@H](C3CC3)[NH2+]C[C@@H]2C)c1 ZINC000086179218 135039751 /nfs/dbraw/zinc/03/97/51/135039751.db2.gz MHKGTTXHDQULPZ-MEDUHNTESA-N 1 0 276.380 2.281 10 0 CEAERO Cc1cc(Br)cnc1N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000086708602 135048367 /nfs/dbraw/zinc/04/83/67/135048367.db2.gz BJGUPICHAHJAFE-ZJUUUORDSA-N 1 0 284.201 2.339 10 0 CEAERO Cc1nc(N2CCN(c3cc[nH+]cc3N)CC2)sc1C ZINC000087303045 135049665 /nfs/dbraw/zinc/04/96/65/135049665.db2.gz MBLRYRHMVQKCRC-UHFFFAOYSA-N 1 0 289.408 2.064 10 0 CEAERO [NH3+][C@H]1Cc2ccccc2N(CC2(O)CCCCC2)C1 ZINC000087458904 135050435 /nfs/dbraw/zinc/05/04/35/135050435.db2.gz VHVPQSMXKFXNCQ-AWEZNQCLSA-N 1 0 260.381 2.072 10 0 CEAERO CC[C@@H]1CCCN(c2cc(NN)[nH+]c(SC)n2)C1 ZINC000087854435 135052166 /nfs/dbraw/zinc/05/21/66/135052166.db2.gz PRFGXIIQCCOSEU-SECBINFHSA-N 1 0 267.402 2.111 10 0 CEAERO Clc1cc(Cl)c(N2CC[NH2+]CC2)c2nsnc21 ZINC000088120624 135052390 /nfs/dbraw/zinc/05/23/90/135052390.db2.gz QOJSFYBIXXHVPT-UHFFFAOYSA-N 1 0 289.191 2.408 10 0 CEAERO Nc1nc(CC[NH+]2CCN(c3ccccc3)CC2)cs1 ZINC000088193201 135052937 /nfs/dbraw/zinc/05/29/37/135052937.db2.gz SRIYYDNRYWKGDO-UHFFFAOYSA-N 1 0 288.420 2.090 10 0 CEAERO CC[NH2+]C[C@H]1CCCN(c2cc(CC)nc(C)n2)C1 ZINC000088760865 135056967 /nfs/dbraw/zinc/05/69/67/135056967.db2.gz IBQWGSPUYJHKNP-CYBMUJFWSA-N 1 0 262.401 2.173 10 0 CEAERO CCn1nc(C)cc1CN1C[C@@H]([NH3+])Cc2ccccc21 ZINC000089188598 135058096 /nfs/dbraw/zinc/05/80/96/135058096.db2.gz SWJHCKIPOLCJLV-AWEZNQCLSA-N 1 0 270.380 2.101 10 0 CEAERO c1csc(-c2cnc(N3CC[NH2+]CC3)c3[nH]cnc32)c1 ZINC000089203263 135058120 /nfs/dbraw/zinc/05/81/20/135058120.db2.gz YCNZSNQOAGUNSO-UHFFFAOYSA-N 1 0 285.376 2.096 10 0 CEAERO CN1C(=O)C[C@H]([NH2+]C[C@@H]2CCC[C@@H]2CO)c2ccccc21 ZINC000089485221 135059413 /nfs/dbraw/zinc/05/94/13/135059413.db2.gz MGSVWUNSGMYKKD-GUTXKFCHSA-N 1 0 288.391 2.092 10 0 CEAERO CC[NH2+][C@H]1COC[C@@H]1CN1CCCc2ccccc21 ZINC000090493503 135062849 /nfs/dbraw/zinc/06/28/49/135062849.db2.gz VSZLNBAOMFINCU-GJZGRUSLSA-N 1 0 260.381 2.064 10 0 CEAERO CCC[NH2+]C[C@@H]1CCCCN1c1cc(OCC)ncn1 ZINC000090784613 135064592 /nfs/dbraw/zinc/06/45/92/135064592.db2.gz BLYUDLQETOYTAS-ZDUSSCGKSA-N 1 0 278.400 2.234 10 0 CEAERO Cc1ccc2c(c1)CCCN2C[C@@](C)(O)C[NH2+]C(C)C ZINC000090817691 135065800 /nfs/dbraw/zinc/06/58/00/135065800.db2.gz VMAJTRRBZJECDK-KRWDZBQOSA-N 1 0 276.424 2.497 10 0 CEAERO NC(=[NH2+])C1CCN(c2cc(C(F)(F)F)ccn2)CC1 ZINC000090802783 135066104 /nfs/dbraw/zinc/06/61/04/135066104.db2.gz XXAXEJHGTFOKOS-UHFFFAOYSA-N 1 0 272.274 2.253 10 0 CEAERO C[NH+](C)[C@H]1CCCN(c2ccc(N)c3cnccc32)C1 ZINC000091392820 135068285 /nfs/dbraw/zinc/06/82/85/135068285.db2.gz OFXMOGDMZNIPIP-LBPRGKRZSA-N 1 0 270.380 2.347 10 0 CEAERO C[C@H](O)C(C)(C)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000091405629 135068741 /nfs/dbraw/zinc/06/87/41/135068741.db2.gz MXOKUDSCBPQJAG-ZDUSSCGKSA-N 1 0 280.387 2.355 10 0 CEAERO [NH3+][C@H]1Cc2ccccc2N(C(=O)c2ccncc2Cl)C1 ZINC000091457075 135070363 /nfs/dbraw/zinc/07/03/63/135070363.db2.gz GFUINORKMSVXRY-NSHDSACASA-N 1 0 287.750 2.265 10 0 CEAERO Cc1cccc2c1N(C(=O)[C@H]1CC[NH2+][C@@H]1C)CCC2 ZINC000092956030 135077237 /nfs/dbraw/zinc/07/72/37/135077237.db2.gz BCKOCMLAVJHARI-OCCSQVGLSA-N 1 0 258.365 2.272 10 0 CEAERO CC(=O)c1ccc(N2CCC[C@@H]([NH+](C)C)C2)cc1O ZINC000093669687 135082100 /nfs/dbraw/zinc/08/21/00/135082100.db2.gz NXSLZSRKTJQHGV-CYBMUJFWSA-N 1 0 262.353 2.125 10 0 CEAERO CC[C@H]1CN(c2nc(C(F)(F)F)ccc2C[NH3+])CCO1 ZINC000094334104 135086049 /nfs/dbraw/zinc/08/60/49/135086049.db2.gz OGEPGGQIJUXOCY-JTQLQIEISA-N 1 0 289.301 2.174 10 0 CEAERO CCCOc1nc(N2CC[N@@H+]3CCCC[C@@H]3C2)ccc1N ZINC000094439017 135087572 /nfs/dbraw/zinc/08/75/72/135087572.db2.gz RFNHQUFRPSEIRY-CYBMUJFWSA-N 1 0 290.411 2.127 10 0 CEAERO Cc1cc(N2CC[N@@H+]3CCCC[C@@H]3C2)nc(Cl)n1 ZINC000094442635 135088859 /nfs/dbraw/zinc/08/88/59/135088859.db2.gz UEEZWHOJKXQFHZ-LLVKDONJSA-N 1 0 266.776 2.113 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@H]1C[C@@H](OCC)C1(CC)CC ZINC000236928084 394490097 /nfs/dbraw/zinc/49/00/97/394490097.db2.gz GXXBXBIZKUXPJM-RWMBFGLXSA-N 1 0 270.417 2.214 10 0 CEAERO CCC(CC)NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1CC ZINC000246167708 394510136 /nfs/dbraw/zinc/51/01/36/394510136.db2.gz LBEFWTUOYCGNAK-KGLIPLIRSA-N 1 0 267.417 2.443 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)/C=C\c1ccccc1 ZINC000255908697 394593716 /nfs/dbraw/zinc/59/37/16/394593716.db2.gz IKAZIADXWMWNSP-WGCVJFFOSA-N 1 0 270.376 2.395 10 0 CEAERO CCOC(C[N@@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC)OCC ZINC000248397433 394539484 /nfs/dbraw/zinc/53/94/84/394539484.db2.gz LRHIHHZMSYQROG-MCIONIFRSA-N 1 0 299.411 2.192 10 0 CEAERO CC[C@@H]1C[C@H](C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2CC)CCO1 ZINC000248527192 394542614 /nfs/dbraw/zinc/54/26/14/394542614.db2.gz DAWNZJBZQSSIOB-LVQVYYBASA-N 1 0 294.439 2.277 10 0 CEAERO CCCC(=O)N[C@@H]1CCC[N@H+](C[C@H]2CCC(C)(C)O2)C1 ZINC000248573277 394543071 /nfs/dbraw/zinc/54/30/71/394543071.db2.gz RZHDIFALQXFXMM-ZIAGYGMSSA-N 1 0 282.428 2.325 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@H]1CC2(CCC2)C(=O)O1 ZINC000248817306 394547646 /nfs/dbraw/zinc/54/76/46/394547646.db2.gz DUQNVTQAFICTRT-RBSFLKMASA-N 1 0 292.423 2.031 10 0 CEAERO CO[C@@H]1C[C@@H](CO)[N@H+](CC/C=C\c2ccccc2)C1 ZINC000323603381 394550075 /nfs/dbraw/zinc/55/00/75/394550075.db2.gz QJFKIMPASWUAQW-ZIDUMWFYSA-N 1 0 261.365 2.172 10 0 CEAERO COCc1cc([C@@H](C)[NH2+]CC2CC(O)C2)ccc1OC ZINC000091415795 394656939 /nfs/dbraw/zinc/65/69/39/394656939.db2.gz BYPXZZUFMLHOQL-XIKARTHZSA-N 1 0 279.380 2.263 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1c1cncc(Br)c1 ZINC000261531279 394601826 /nfs/dbraw/zinc/60/18/26/394601826.db2.gz FZDFCDNAEOWRCP-JTQLQIEISA-N 1 0 270.174 2.162 10 0 CEAERO CCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)CCC1 ZINC000262010260 394610982 /nfs/dbraw/zinc/61/09/82/394610982.db2.gz VMPGSBUTZAKKGR-RRFJBIMHSA-N 1 0 266.429 2.313 10 0 CEAERO Cc1ccc([C@@H](O)CN2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000093952633 394670025 /nfs/dbraw/zinc/67/00/25/394670025.db2.gz JUUMIMSZGZPTCW-SJORKVTESA-N 1 0 274.408 2.199 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CCCCC1 ZINC000113575525 394748591 /nfs/dbraw/zinc/74/85/91/394748591.db2.gz YPVZBEYWBAABJL-GXTWGEPZSA-N 1 0 265.401 2.197 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@@H]1CCO[C@@H](C)C1 ZINC000358292738 394716730 /nfs/dbraw/zinc/71/67/30/394716730.db2.gz WIZDJMXYKMUVOP-ZJIFWQFVSA-N 1 0 266.429 2.360 10 0 CEAERO CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000335313555 394758322 /nfs/dbraw/zinc/75/83/22/394758322.db2.gz OQJMOQKOGHSONL-LBPRGKRZSA-N 1 0 296.798 2.447 10 0 CEAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)CC2(C)CCCCC2)C[C@H]1C ZINC000130828083 394896369 /nfs/dbraw/zinc/89/63/69/394896369.db2.gz ONJIDNXQCOPYSN-HUUCEWRRSA-N 1 0 296.455 2.260 10 0 CEAERO CC[NH2+]CCNC(=O)[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000262540115 285597967 /nfs/dbraw/zinc/59/79/67/285597967.db2.gz SKXLXBWJFSSHRO-HZPDHXFCSA-N 1 0 290.407 2.188 10 0 CEAERO C[C@H]1CCN(c2ncc(Cl)cc2F)C[C@@H]1C[NH3+] ZINC000163926692 395085197 /nfs/dbraw/zinc/08/51/97/395085197.db2.gz FBECXHXBOLYMQN-IUCAKERBSA-N 1 0 257.740 2.295 10 0 CEAERO Cc1cccc(CSCC(=O)N2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000423966989 395037645 /nfs/dbraw/zinc/03/76/45/395037645.db2.gz XGGUHMVZHVPRGY-JSGCOSHPSA-N 1 0 278.421 2.034 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)Cc1ccsc1 ZINC000384266283 395191846 /nfs/dbraw/zinc/19/18/46/395191846.db2.gz PNQIKZIODBFIEE-ZYHUDNBSSA-N 1 0 252.383 2.095 10 0 CEAERO CCOc1cc(C)nc(N2CC[NH+]([C@H](C)CC)CC2)n1 ZINC000181125237 395210557 /nfs/dbraw/zinc/21/05/57/395210557.db2.gz CATRVXUQDFSNAB-CYBMUJFWSA-N 1 0 278.400 2.104 10 0 CEAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCc1c(F)cccc1F ZINC000402057144 395267562 /nfs/dbraw/zinc/26/75/62/395267562.db2.gz WMMPRLFIXMZRPW-YGRLFVJLSA-N 1 0 255.308 2.353 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccnc1C ZINC000184054718 395269809 /nfs/dbraw/zinc/26/98/09/395269809.db2.gz WWLYUTSNGQFFMK-HZPDHXFCSA-N 1 0 259.397 2.449 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(C)ccn1 ZINC000184101031 395269832 /nfs/dbraw/zinc/26/98/32/395269832.db2.gz YUDFQBWGYDZEEA-ZIAGYGMSSA-N 1 0 288.395 2.481 10 0 CEAERO CCCCOC[C@H](O)C[NH+]1CCC(OCC(C)C)CC1 ZINC000195157789 395460592 /nfs/dbraw/zinc/46/05/92/395460592.db2.gz CHJOXLCXDROZSQ-OAHLLOKOSA-N 1 0 287.444 2.301 10 0 CEAERO CCCCOC[C@@H](O)C[N@H+](C(C)C)C1CCOCC1 ZINC000195189386 395461296 /nfs/dbraw/zinc/46/12/96/395461296.db2.gz OACVTNARNSKRLC-HNNXBMFYSA-N 1 0 273.417 2.053 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cnc(-c2ccccc2)nc1 ZINC000193624939 395411990 /nfs/dbraw/zinc/41/19/90/395411990.db2.gz QHGDHJJVRUOTTC-SWLSCSKDSA-N 1 0 296.374 2.014 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@H]2C[C@@H]([NH3+])C2)cc1F ZINC000648098492 395836962 /nfs/dbraw/zinc/83/69/62/395836962.db2.gz IQYQCIKSCQFSDF-ZMLRMANQSA-N 1 0 250.317 2.049 10 0 CEAERO COCc1nc(C[NH2+][C@H](C)[C@@H](OC)C2CC2)cs1 ZINC000648797034 395985487 /nfs/dbraw/zinc/98/54/87/395985487.db2.gz IVSQDMTYTDXQFU-NOZJJQNGSA-N 1 0 270.398 2.193 10 0 CEAERO c1csc([C@H]2CCCCN2C[C@H]2CC[NH2+]C2)n1 ZINC000649412011 396146215 /nfs/dbraw/zinc/14/62/15/396146215.db2.gz CELCIMCAQXPRBU-NWDGAFQWSA-N 1 0 251.399 2.280 10 0 CEAERO CN1CCC[C@@H]1C[NH2+][C@@H](CCO)C1CCCCC1 ZINC000649577087 396196528 /nfs/dbraw/zinc/19/65/28/396196528.db2.gz XRGZXXDCBVHNJP-CABCVRRESA-N 1 0 254.418 2.002 10 0 CEAERO COc1c(C[NH2+]C[C@@H](C)CC(F)F)c(C)nn1C ZINC000647225344 396445300 /nfs/dbraw/zinc/44/53/00/396445300.db2.gz ACPCLTDVQUMAIP-QMMMGPOBSA-N 1 0 261.316 2.118 10 0 CEAERO Cc1ccc(CN2C[C@H]3CCCC[N@H+]3C[C@@H]2C)cn1 ZINC000094434567 292102786 /nfs/dbraw/zinc/10/27/86/292102786.db2.gz NHAZDPVBZUDWAT-GOEBONIOSA-N 1 0 259.397 2.449 10 0 CEAERO CC[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000037030931 400114968 /nfs/dbraw/zinc/11/49/68/400114968.db2.gz PAOBAFZPQIRFPD-IAQYHMDHSA-N 1 0 260.381 2.480 10 0 CEAERO Cc1cc(C)cc(OC[C@H](O)C[NH2+]CC[C@@H]2CCCO2)c1 ZINC000038096603 400123358 /nfs/dbraw/zinc/12/33/58/400123358.db2.gz MQBJLORFKPLQON-CVEARBPZSA-N 1 0 293.407 2.202 10 0 CEAERO [NH3+]C1CCC(C(=O)N[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000044678740 400146872 /nfs/dbraw/zinc/14/68/72/400146872.db2.gz DAVDKVGXQZFROK-WUCCLRPBSA-N 1 0 258.365 2.176 10 0 CEAERO [NH3+]Cc1cn(CCC23CC4CC(CC(C4)C2)C3)nn1 ZINC000050224863 400238489 /nfs/dbraw/zinc/23/84/89/400238489.db2.gz SJICUOPGZOVUEZ-UHFFFAOYSA-N 1 0 260.385 2.343 10 0 CEAERO 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CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN2CC)C12CCOCC2 ZINC000248991320 286285471 /nfs/dbraw/zinc/28/54/71/286285471.db2.gz LDMACCLWVDYODW-BZUAXINKSA-N 1 0 296.455 2.035 10 0 CEAERO CCO[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)CC)C12CCCC2 ZINC000247664962 286332874 /nfs/dbraw/zinc/33/28/74/286332874.db2.gz XXHIIENYTGIVIY-MELADBBJSA-N 1 0 255.402 2.427 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](OC)C2)C12CCOCC2 ZINC000188793441 153069774 /nfs/dbraw/zinc/06/97/74/153069774.db2.gz CVULTAMXTOIJIX-CBBWQLFWSA-N 1 0 283.412 2.118 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cccc2ncccc21 ZINC000189304506 153090095 /nfs/dbraw/zinc/09/00/95/153090095.db2.gz YSVUZMVFFLREBN-SMDDNHRTSA-N 1 0 269.348 2.105 10 0 CEAERO COc1ccc(Cl)cc1C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000189310628 153091609 /nfs/dbraw/zinc/09/16/09/153091609.db2.gz GNBKUFJGOOXLIT-JOYOIKCWSA-N 1 0 282.771 2.219 10 0 CEAERO O=C(NCC[N@@H+]1CCCOCC1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000189411373 153094201 /nfs/dbraw/zinc/09/42/01/153094201.db2.gz 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C[C@H]1CN(Cc2ccc(OC(F)F)c(F)c2)C[C@H]1[NH3+] ZINC000261926675 153877885 /nfs/dbraw/zinc/87/78/85/153877885.db2.gz CHQQMPPGZLVXQC-GZMMTYOYSA-N 1 0 274.286 2.206 10 0 CEAERO CC(C)COc1cccc(CNC(=O)[C@@H](C)C2C[NH2+]C2)c1 ZINC000262027305 153900743 /nfs/dbraw/zinc/90/07/43/153900743.db2.gz ADHHJHJKMZDMMA-ZDUSSCGKSA-N 1 0 290.407 2.193 10 0 CEAERO CC(C)c1nc([C@H]2CCCN2C[C@@]2(C)CC[NH2+]C2)no1 ZINC000262142785 153918530 /nfs/dbraw/zinc/91/85/30/153918530.db2.gz ZFJGFKJCUYAYBU-DOMZBBRYSA-N 1 0 278.400 2.330 10 0 CEAERO Cc1ccnc(-c2cccc(NC(=O)[C@H](C)C3C[NH2+]C3)c2)n1 ZINC000262621788 153969717 /nfs/dbraw/zinc/96/97/17/153969717.db2.gz ZRAAXWFICKDVDM-GFCCVEGCSA-N 1 0 296.374 2.246 10 0 CEAERO CC[C@@H](c1nc([C@@H]2C[NH2+]CCN2C)no1)c1ccccc1 ZINC000263149424 154023690 /nfs/dbraw/zinc/02/36/90/154023690.db2.gz CZSRHZYXRTYNCA-KGLIPLIRSA-N 1 0 286.379 2.188 10 0 CEAERO COc1ccc(-c2ccc(CNC(=O)C3C[NH2+]C3)cc2)cc1 ZINC000263262452 154044729 /nfs/dbraw/zinc/04/47/29/154044729.db2.gz GRJSUPYXYFBKGM-UHFFFAOYSA-N 1 0 296.370 2.198 10 0 CEAERO C[C@@H]1C[C@H]1[C@@H](NC(=O)C1C[NH2+]C1)c1ccc(Cl)cc1 ZINC000263293354 154052440 /nfs/dbraw/zinc/05/24/40/154052440.db2.gz LWOQGCQLVCMASV-FZQKWOKYSA-N 1 0 278.783 2.373 10 0 CEAERO C[C@@H]1CC[C@H]([NH2+]C2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)C1 ZINC000263511848 154110239 /nfs/dbraw/zinc/11/02/39/154110239.db2.gz NOZFGMGSTSRCEV-WSYDAFBYSA-N 1 0 280.412 2.092 10 0 CEAERO C[N@H+](CCOc1ccc(F)cc1)[C@H]1CCC[C@@H]1O ZINC000352660110 154325580 /nfs/dbraw/zinc/32/55/80/154325580.db2.gz MJGDNIAYKSTLPH-KBPBESRZSA-N 1 0 253.317 2.050 10 0 CEAERO C[N@H+](CCCOCc1ccccc1)[C@H]1CCC[C@@H]1O ZINC000352663846 154326094 /nfs/dbraw/zinc/32/60/94/154326094.db2.gz ACCZRYFSGUWBML-HOTGVXAUSA-N 1 0 263.381 2.439 10 0 CEAERO CCCCNC(=O)NC(=O)C[NH2+][C@@H](C)c1cccs1 ZINC000171112575 162380424 /nfs/dbraw/zinc/38/04/24/162380424.db2.gz MGXOEQOYDKMAMX-JTQLQIEISA-N 1 0 283.397 2.025 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCS[C@H](C)C1 ZINC000171425675 162383647 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ZINC000171503422 165045567 /nfs/dbraw/zinc/04/55/67/165045567.db2.gz QGOFOAFRYSNSGS-CQSZACIVSA-N 1 0 281.400 2.448 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cc1c(C)noc1Cl ZINC000177032489 165187131 /nfs/dbraw/zinc/18/71/31/165187131.db2.gz AMRPWCUYXOTYGC-NSHDSACASA-N 1 0 299.802 2.122 10 0 CEAERO CC(C)N(C(=O)[C@@H](C)N1CC[N@@H+]2CCCC[C@@H]2C1)C(C)C ZINC000177758504 165207451 /nfs/dbraw/zinc/20/74/51/165207451.db2.gz BCEYQQIGPOGKAX-HZPDHXFCSA-N 1 0 295.471 2.190 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)COc2cc(C)ccc2F)C1 ZINC000178106357 165224127 /nfs/dbraw/zinc/22/41/27/165224127.db2.gz BMEAKAFIOOBQMI-CYBMUJFWSA-N 1 0 294.370 2.113 10 0 CEAERO CCCC[C@H](C(=O)OC)[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178317429 165233606 /nfs/dbraw/zinc/23/36/06/165233606.db2.gz BTJREJMSSCJSHZ-HUUCEWRRSA-N 1 0 293.411 2.388 10 0 CEAERO C[C@H](CC1CCCCC1)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000178563265 165247529 /nfs/dbraw/zinc/24/75/29/165247529.db2.gz CPJUXEBLQKJODY-TZMCWYRMSA-N 1 0 252.402 2.400 10 0 CEAERO C[C@H](CC(=O)N1CC[C@@H](C[NH3+])C1)Cc1cccc(F)c1 ZINC000178582383 165249265 /nfs/dbraw/zinc/24/92/65/165249265.db2.gz CQTCCTSIMZCQNI-JSGCOSHPSA-N 1 0 278.371 2.202 10 0 CEAERO CSc1ccc(C)c(C(=O)NCC[C@@H](C)[NH3+])c1 ZINC000178651380 165252181 /nfs/dbraw/zinc/25/21/81/165252181.db2.gz CHNHJBKXOMTBMU-SNVBAGLBSA-N 1 0 252.383 2.184 10 0 CEAERO Cc1nn(C)cc1[C@H](C)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000181655063 165354257 /nfs/dbraw/zinc/35/42/57/165354257.db2.gz AWOCCLAMRGEWMT-DZGCQCFKSA-N 1 0 278.444 2.500 10 0 CEAERO NC(=[NH2+])SCCOc1cccc(Br)c1 ZINC000007715594 170299033 /nfs/dbraw/zinc/29/90/33/170299033.db2.gz PDBRLKRLEMQWIQ-UHFFFAOYSA-N 1 0 275.171 2.455 10 0 CEAERO [NH3+]C[C@@H](c1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000008031272 170315164 /nfs/dbraw/zinc/31/51/64/170315164.db2.gz JBJOAWIBFGVBNH-AWEZNQCLSA-N 1 0 279.336 2.299 10 0 CEAERO NC(=[NH2+])c1cccnc1Oc1ccc2c(c1)CCC(=O)N2 ZINC000019429052 170796271 /nfs/dbraw/zinc/79/62/71/170796271.db2.gz WCPLHVQVJCPEEY-UHFFFAOYSA-N 1 0 282.303 2.043 10 0 CEAERO C[C@H]1CC[C@@H](C(=O)Nc2cc(F)ccc2F)C[NH2+]1 ZINC000019439108 170801359 /nfs/dbraw/zinc/80/13/59/170801359.db2.gz VHSNGLUZPGNEAP-DTWKUNHWSA-N 1 0 254.280 2.291 10 0 CEAERO COc1cc(C)ccc1Oc1ccc(C(N)=[NH2+])cn1 ZINC000019504153 170816109 /nfs/dbraw/zinc/81/61/09/170816109.db2.gz UJVIBGKIOXELCN-UHFFFAOYSA-N 1 0 257.293 2.475 10 0 CEAERO [NH3+]CCSCC(=O)Nc1ccccc1C(F)(F)F ZINC000019687346 170840421 /nfs/dbraw/zinc/84/04/21/170840421.db2.gz LMTWSXVYNNSNSM-UHFFFAOYSA-N 1 0 278.299 2.336 10 0 CEAERO [NH3+][C@@H](c1ccc2c(c1)CCO2)[C@@H]1COc2ccccc2O1 ZINC000019971098 170954622 /nfs/dbraw/zinc/95/46/22/170954622.db2.gz CKUQQPPZNCDHSJ-IRXDYDNUSA-N 1 0 283.327 2.461 10 0 CEAERO C[NH+]1CCC(Nc2ccc(-c3nnco3)cc2)CC1 ZINC000020186806 171050875 /nfs/dbraw/zinc/05/08/75/171050875.db2.gz SEYSRYHSUYQJRV-UHFFFAOYSA-N 1 0 258.325 2.243 10 0 CEAERO CCCN(C)[C@H](C[NH3+])c1cccc(OC)c1OC ZINC000020226677 171091303 /nfs/dbraw/zinc/09/13/03/171091303.db2.gz OLDTWYXFUOPKME-GFCCVEGCSA-N 1 0 252.358 2.045 10 0 CEAERO CC(C)CCC(=O)N(CCC[NH3+])Cc1cccnc1 ZINC000020248734 171102232 /nfs/dbraw/zinc/10/22/32/171102232.db2.gz OXKDWKVICHKAPN-UHFFFAOYSA-N 1 0 263.385 2.195 10 0 CEAERO Nc1ccc(Cl)cc1NC(=O)CC[NH+]1CCSCC1 ZINC000020256884 171110983 /nfs/dbraw/zinc/11/09/83/171110983.db2.gz CNXQIQYOARMCIN-UHFFFAOYSA-N 1 0 299.827 2.300 10 0 CEAERO O=C(Nc1ccc(N2CCCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000020269835 171125543 /nfs/dbraw/zinc/12/55/43/171125543.db2.gz XMUAAKWIBYSJNA-CYBMUJFWSA-N 1 0 273.380 2.225 10 0 CEAERO CCc1ccc(OC[C@H](C[NH3+])N2CCCCC2)cc1 ZINC000020400813 171181538 /nfs/dbraw/zinc/18/15/38/171181538.db2.gz JZNOWZOAEFZCGR-HNNXBMFYSA-N 1 0 262.397 2.441 10 0 CEAERO COc1cc(C[NH3+])cc(Cl)c1OC[C@H]1CCCO1 ZINC000020470675 171213229 /nfs/dbraw/zinc/21/32/29/171213229.db2.gz YYLFVGIWPAPHFA-SNVBAGLBSA-N 1 0 271.744 2.365 10 0 CEAERO CCC(C)(C)OCC(=O)Nc1ccc(C[NH3+])cc1 ZINC000020508854 171229522 /nfs/dbraw/zinc/22/95/22/171229522.db2.gz FZJLUNGYODSUQC-UHFFFAOYSA-N 1 0 250.342 2.289 10 0 CEAERO COc1ccc([C@@H]2C[C@@H]2[C@@H](C)[NH3+])c(OC)c1OC ZINC000020594454 171263745 /nfs/dbraw/zinc/26/37/45/171263745.db2.gz HMVDXADTKUNJRS-IEBDPFPHSA-N 1 0 251.326 2.163 10 0 CEAERO C[NH+](C)CCNc1c(F)c(F)c(F)c(F)c1F ZINC000021057287 171296054 /nfs/dbraw/zinc/29/60/54/171296054.db2.gz UTPOJXMMOQGFTD-UHFFFAOYSA-N 1 0 254.202 2.356 10 0 CEAERO O=C(NCC[NH+]1CCCC1)c1ncoc1-c1cccs1 ZINC000021641903 171317716 /nfs/dbraw/zinc/31/77/16/171317716.db2.gz ZBPWLJCSSDHJBJ-UHFFFAOYSA-N 1 0 291.376 2.229 10 0 CEAERO CO[C@H]1C[NH2+][C@H](c2nc(C3CCCCC3)no2)C1 ZINC000021817299 171332719 /nfs/dbraw/zinc/33/27/19/171332719.db2.gz HCDMFXXAFNCKPO-MNOVXSKESA-N 1 0 251.330 2.167 10 0 CEAERO COc1ccc([C@H](C)N2CCC[NH2+]CC2)cc1F ZINC000022108510 171353022 /nfs/dbraw/zinc/35/30/22/171353022.db2.gz DAXOBJJGYGTFLP-NSHDSACASA-N 1 0 252.333 2.191 10 0 CEAERO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)Nc2ccc(F)c(N)c2)C1 ZINC000022163195 171364616 /nfs/dbraw/zinc/36/46/16/171364616.db2.gz HGRHURDTERNNDJ-PHIMTYICSA-N 1 0 279.359 2.324 10 0 CEAERO C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)COc1ccc(C[NH3+])cc1 ZINC000022215540 171375482 /nfs/dbraw/zinc/37/54/82/171375482.db2.gz YBJOZNYCKQBZFR-ZENOOKHLSA-N 1 0 290.407 2.465 10 0 CEAERO [NH3+][C@@H](CN1CCOCC1)c1cccc2ccccc21 ZINC000022565541 171392063 /nfs/dbraw/zinc/39/20/63/171392063.db2.gz SBJIEGZLPHBHPZ-INIZCTEOSA-N 1 0 256.349 2.172 10 0 CEAERO COc1cc(N[C@H](C)CCC[NH3+])c2[nH]cccc-2c1=O ZINC000027330665 171513820 /nfs/dbraw/zinc/51/38/20/171513820.db2.gz DCIFAKQLYKKQAG-SNVBAGLBSA-N 1 0 275.352 2.488 10 0 CEAERO CCC[NH2+]C[C@H](O)COc1ccc(Cl)c(C)c1 ZINC000032110462 171702344 /nfs/dbraw/zinc/70/23/44/171702344.db2.gz WPWGLHWUJIPWBD-NSHDSACASA-N 1 0 257.761 2.388 10 0 CEAERO CN1c2ccc([C@H]([NH3+])Cc3ccccc3)cc2CC1=O ZINC000034940688 171900341 /nfs/dbraw/zinc/90/03/41/171900341.db2.gz AXSVWNUCZJRYPJ-OAHLLOKOSA-N 1 0 266.344 2.448 10 0 CEAERO COCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCc2ccccc21 ZINC000035221870 172064770 /nfs/dbraw/zinc/06/47/70/172064770.db2.gz VPJZXJUSWVXFTO-CZUORRHYSA-N 1 0 290.407 2.195 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)s1 ZINC000035285646 172104025 /nfs/dbraw/zinc/10/40/25/172104025.db2.gz HEFZCHPMCWAMNB-HTQZYQBOSA-N 1 0 279.814 2.239 10 0 CEAERO [NH3+][C@@H](CO)c1nc2ccccc2n1-c1ccccc1 ZINC000035411605 172183012 /nfs/dbraw/zinc/18/30/12/172183012.db2.gz BJEZXUAWERSXBV-LBPRGKRZSA-N 1 0 253.305 2.018 10 0 CEAERO C[NH2+][C@@H](CC(F)(F)F)c1ccc2c(c1)CC(=O)N2C ZINC000035497355 172230295 /nfs/dbraw/zinc/23/02/95/172230295.db2.gz SQTTVBPCMXEBPX-JTQLQIEISA-N 1 0 272.270 2.418 10 0 CEAERO CCNC(=O)[C@H](C)Oc1ccc(C)cc1[C@H](C)[NH2+]C ZINC000035629515 172310005 /nfs/dbraw/zinc/31/00/05/172310005.db2.gz OGRXOXABDYEWBZ-RYUDHWBXSA-N 1 0 264.369 2.179 10 0 CEAERO C[NH2+][C@H](C)c1ccc(S(=O)(=O)NC2CCCC2)cc1 ZINC000035632904 172316395 /nfs/dbraw/zinc/31/63/95/172316395.db2.gz XORXBGQDPJHXCW-LLVKDONJSA-N 1 0 282.409 2.188 10 0 CEAERO [NH3+][C@@H]1CC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C1 ZINC000035679610 172350390 /nfs/dbraw/zinc/35/03/90/172350390.db2.gz LKPDMIJKCIHXHP-SSDOTTSWSA-N 1 0 278.661 2.423 10 0 CEAERO COc1ccccc1NC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000035690959 172359460 /nfs/dbraw/zinc/35/94/60/172359460.db2.gz IRTBPGBLDDOFCV-VXGBXAGGSA-N 1 0 277.368 2.205 10 0 CEAERO CC(C)C[C@@H]([NH3+])C(=O)N1CCC[C@@H]1c1ccncc1 ZINC000036136620 172459686 /nfs/dbraw/zinc/45/96/86/172459686.db2.gz RPHBTRLMTZEHCJ-ZIAGYGMSSA-N 1 0 261.369 2.119 10 0 CEAERO [NH3+]Cc1cccc(CNC(=O)Cc2ccccc2)c1 ZINC000036202124 172515235 /nfs/dbraw/zinc/51/52/35/172515235.db2.gz ZLZXREIMNHLJCN-UHFFFAOYSA-N 1 0 254.333 2.004 10 0 CEAERO CCOCC[NH2+]Cc1cc2c(c(Cl)c1)OCO2 ZINC000036228875 172526190 /nfs/dbraw/zinc/52/61/90/172526190.db2.gz OGQDUUFKJRPGEF-UHFFFAOYSA-N 1 0 257.717 2.195 10 0 CEAERO [NH3+]C1CCN(C(=O)c2cc(Cl)cn2C2CC2)CC1 ZINC000036857757 172756707 /nfs/dbraw/zinc/75/67/07/172756707.db2.gz XBCNIYMVGRYDNO-UHFFFAOYSA-N 1 0 267.760 2.040 10 0 CEAERO C[C@@H](Cc1cccc(Cl)c1)NC(=O)[C@H]1CCC[NH2+]C1 ZINC000037024283 172888256 /nfs/dbraw/zinc/88/82/56/172888256.db2.gz HPWMVLCZYVHNIC-AAEUAGOBSA-N 1 0 280.799 2.387 10 0 CEAERO CC[C@@H](C)[C@H](C)[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC000037142727 172981342 /nfs/dbraw/zinc/98/13/42/172981342.db2.gz UNRFHLATRNYUDW-NEPJUHHUSA-N 1 0 252.402 2.412 10 0 CEAERO CC[NH2+][C@H](CC)c1ccccc1OC[C@@H](C)C(N)=O ZINC000037226896 173047179 /nfs/dbraw/zinc/04/71/79/173047179.db2.gz GXKCLQHXSILEPT-DGCLKSJQSA-N 1 0 264.369 2.247 10 0 CEAERO C[C@@H]([NH2+]C1CCN(C(N)=O)CC1)c1cccc(F)c1 ZINC000037234900 173053230 /nfs/dbraw/zinc/05/32/30/173053230.db2.gz LZPVXQQBNQURTP-SNVBAGLBSA-N 1 0 265.332 2.019 10 0 CEAERO CCC[NH2+][C@@H]1CCN(CCc2ccc(F)cc2)C1 ZINC000037241123 173058052 /nfs/dbraw/zinc/05/80/52/173058052.db2.gz ZMIJKBJRZZCPPX-OAHLLOKOSA-N 1 0 250.361 2.442 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH2+]CCCn1ccnc1)CCO2 ZINC000037249442 173061718 /nfs/dbraw/zinc/06/17/18/173061718.db2.gz CXBCLTUEQZNTKK-OAHLLOKOSA-N 1 0 287.363 2.395 10 0 CEAERO NC(=O)c1ccc(F)c(C[NH2+]CC2CCCC2)c1 ZINC000037258525 173069404 /nfs/dbraw/zinc/06/94/04/173069404.db2.gz FHRAOQAGZZFJCE-UHFFFAOYSA-N 1 0 250.317 2.204 10 0 CEAERO C[C@@H]([NH3+])c1ccc(S(=O)(=O)NCC2CCCC2)cc1 ZINC000037259064 173069463 /nfs/dbraw/zinc/06/94/63/173069463.db2.gz ZKCLYUPNMBAPTE-LLVKDONJSA-N 1 0 282.409 2.175 10 0 CEAERO Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C)C2)c(N)c1 ZINC000037272169 173083237 /nfs/dbraw/zinc/08/32/37/173083237.db2.gz HIWJCYZLSDIAQY-GFCCVEGCSA-N 1 0 261.369 2.248 10 0 CEAERO CC[C@H](C)C[N@H+](C)CC(=O)Nc1ccc(C)cc1N ZINC000037273550 173085741 /nfs/dbraw/zinc/08/57/41/173085741.db2.gz QMIOJWRLKXCETC-NSHDSACASA-N 1 0 263.385 2.494 10 0 CEAERO CC[C@@H]([NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)C(C)C ZINC000037278073 173088592 /nfs/dbraw/zinc/08/85/92/173088592.db2.gz XMWSXZGSBJCABK-BXUZGUMPSA-N 1 0 284.425 2.419 10 0 CEAERO C[C@H]1CCCCN1[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037363628 173153380 /nfs/dbraw/zinc/15/33/80/173153380.db2.gz YTFMHIXRSJRKBD-WFASDCNBSA-N 1 0 260.381 2.496 10 0 CEAERO CCn1c2cccc(F)c2nc1[C@@H]1C[C@@H](OC)C[NH2+]1 ZINC000037442688 173211234 /nfs/dbraw/zinc/21/12/34/173211234.db2.gz IJYQTHOYSPPYHS-KOLCDFICSA-N 1 0 263.316 2.245 10 0 CEAERO CO[C@H]1C[NH2+][C@H](c2nc3cccc(Cl)c3n2C)C1 ZINC000037443646 173212341 /nfs/dbraw/zinc/21/23/41/173212341.db2.gz PWWMPMHNESJOOU-KCJUWKMLSA-N 1 0 265.744 2.276 10 0 CEAERO C[C@H](O)[C@@H]([NH3+])c1nc2cccc(Cl)c2n1C1CC1 ZINC000037444416 173212457 /nfs/dbraw/zinc/21/24/57/173212457.db2.gz GSTBNGNUIPKHAT-WRWORJQWSA-N 1 0 265.744 2.405 10 0 CEAERO CC(C)[NH2+][C@](C)(C(N)=O)c1ccc(C(F)(F)F)cc1 ZINC000037446447 173213332 /nfs/dbraw/zinc/21/33/32/173213332.db2.gz HJBSPPKBQPPKJK-LBPRGKRZSA-N 1 0 274.286 2.404 10 0 CEAERO Cc1cc(Br)ccc1N1CC[C@H]([NH3+])C1 ZINC000037483439 173228642 /nfs/dbraw/zinc/22/86/42/173228642.db2.gz DPPXHRRHXWLZHV-JTQLQIEISA-N 1 0 255.159 2.295 10 0 CEAERO CSc1ccc(CN(C)C(=O)C[NH2+]C(C)C)cc1 ZINC000037495149 173234800 /nfs/dbraw/zinc/23/48/00/173234800.db2.gz QCZRDAIKWPNXOW-UHFFFAOYSA-N 1 0 266.410 2.365 10 0 CEAERO C[N@@H+]1CC[C@@H](CNc2ccc(N)c3cccnc23)C1 ZINC000037655372 173604856 /nfs/dbraw/zinc/60/48/56/173604856.db2.gz FZOOYQULXVBVNM-NSHDSACASA-N 1 0 256.353 2.181 10 0 CEAERO COc1cccc(C[C@@H](C)[NH3+])c1OCc1ccno1 ZINC000037727737 173646829 /nfs/dbraw/zinc/64/68/29/173646829.db2.gz WUOAYTZVEGEHCO-SNVBAGLBSA-N 1 0 262.309 2.152 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000037750120 173672842 /nfs/dbraw/zinc/67/28/42/173672842.db2.gz YZYMQNPMMJYIDW-VHSXEESVSA-N 1 0 266.307 2.175 10 0 CEAERO CN(C)C(=O)CC[NH2+][C@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000037752007 173674998 /nfs/dbraw/zinc/67/49/98/173674998.db2.gz KLWXKKLLRKFQFD-MCIONIFRSA-N 1 0 252.402 2.413 10 0 CEAERO C[C@@H]([NH3+])CC(=O)Nc1cc(Cl)ccc1-n1cccn1 ZINC000037766122 173694415 /nfs/dbraw/zinc/69/44/15/173694415.db2.gz PJABXFDJBGSJPD-SECBINFHSA-N 1 0 278.743 2.202 10 0 CEAERO CCCCN(CC(F)(F)F)C(=O)[C@H]1CCCC[NH2+]1 ZINC000037811992 173757168 /nfs/dbraw/zinc/75/71/68/173757168.db2.gz KLCONUYXLGPLEU-SNVBAGLBSA-N 1 0 266.307 2.320 10 0 CEAERO Cc1ccc(CN(C(=O)[C@@H]([NH3+])C(C)C)C(C)C)o1 ZINC000037816990 173766967 /nfs/dbraw/zinc/76/69/67/173766967.db2.gz AENMVPPFOXWSMO-ZDUSSCGKSA-N 1 0 252.358 2.308 10 0 CEAERO CCC(CC)C(=O)N1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000037915765 173850077 /nfs/dbraw/zinc/85/00/77/173850077.db2.gz PGNDEOXSYAGABD-ZIAGYGMSSA-N 1 0 252.402 2.413 10 0 CEAERO C[C@@H](C[NH2+][C@H]1COc2cc(O)ccc21)N1CCCCC1 ZINC000038028604 174017517 /nfs/dbraw/zinc/01/75/17/174017517.db2.gz TZYSAVQNJSUYBR-WFASDCNBSA-N 1 0 276.380 2.290 10 0 CEAERO Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCOC2)c(C)c1 ZINC000038045444 174054078 /nfs/dbraw/zinc/05/40/78/174054078.db2.gz AJIJVQZWWSUPGR-JKSUJKDBSA-N 1 0 293.407 2.059 10 0 CEAERO CC[C@H](C)[NH2+][C@@H](C(N)=O)c1ccc(OC(C)C)cc1 ZINC000038065145 174075800 /nfs/dbraw/zinc/07/58/00/174075800.db2.gz ZIHIMHYSSUIQGW-SMDDNHRTSA-N 1 0 264.369 2.388 10 0 CEAERO COc1ccc(-c2cnn(C)c2)cc1C[NH2+]C1CC1 ZINC000038073133 174083239 /nfs/dbraw/zinc/08/32/39/174083239.db2.gz KVICCVWXCVPFQZ-UHFFFAOYSA-N 1 0 257.337 2.348 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)Nc1cccc(F)c1 ZINC000038076601 174087647 /nfs/dbraw/zinc/08/76/47/174087647.db2.gz MYJDPIILJFKWPU-NWDGAFQWSA-N 1 0 251.305 2.217 10 0 CEAERO CC[NH+](CC)CCN[C@@H](CO)c1ccc(Cl)cc1 ZINC000038117000 174125678 /nfs/dbraw/zinc/12/56/78/174125678.db2.gz LWYQQVBUSBWYEQ-AWEZNQCLSA-N 1 0 270.804 2.305 10 0 CEAERO CCN(CC)[C@H](C[NH3+])c1cc(OC)c(OC)c(OC)c1 ZINC000038827566 174155802 /nfs/dbraw/zinc/15/58/02/174155802.db2.gz NUEKOBYBHPBKBF-GFCCVEGCSA-N 1 0 282.384 2.054 10 0 CEAERO C[N@H+](CCO)Cc1ccccc1[C@@H](O)c1ccccc1 ZINC000039260123 174167451 /nfs/dbraw/zinc/16/74/51/174167451.db2.gz NHTAQNXZFMZXBU-KRWDZBQOSA-N 1 0 271.360 2.192 10 0 CEAERO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC1)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000040177314 174202179 /nfs/dbraw/zinc/20/21/79/174202179.db2.gz FCAVOSMDMOVSPO-QKGCVVFFSA-N 1 0 264.413 2.412 10 0 CEAERO C[NH+](C)CCCn1c2ccc(Cl)cc2nc1CO ZINC000040404167 174253840 /nfs/dbraw/zinc/25/38/40/174253840.db2.gz JMUDUDDYHIIFLE-UHFFFAOYSA-N 1 0 267.760 2.134 10 0 CEAERO C[NH2+]Cc1nc2ccc(Cl)cc2n1CCOC ZINC000040404820 174254011 /nfs/dbraw/zinc/25/40/11/174254011.db2.gz MTYNNUSBGZNWPO-UHFFFAOYSA-N 1 0 253.733 2.056 10 0 CEAERO [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccnc1 ZINC000040457886 174268023 /nfs/dbraw/zinc/26/80/23/174268023.db2.gz GWAFYNMWJZRQEB-AWEZNQCLSA-N 1 0 280.331 2.071 10 0 CEAERO COc1ccc([C@@H](C)NC(=O)[C@](C)([NH3+])C2CC2)cc1OC ZINC000040491286 174292384 /nfs/dbraw/zinc/29/23/84/174292384.db2.gz LUAGOTWCZHEYAT-QLJPJBMISA-N 1 0 292.379 2.008 10 0 CEAERO Cc1cccc(CC[C@H](C)[NH2+]C2CCS(=O)(=O)CC2)c1 ZINC000040500654 174296976 /nfs/dbraw/zinc/29/69/76/174296976.db2.gz UVAOXFIQLOYDJF-AWEZNQCLSA-N 1 0 295.448 2.483 10 0 CEAERO CCCCOCC[NH2+][C@H](C)C(=O)NC(CC)CC ZINC000040507351 174302788 /nfs/dbraw/zinc/30/27/88/174302788.db2.gz DGNIRMPVSFDUOO-GFCCVEGCSA-N 1 0 258.406 2.086 10 0 CEAERO CCCC[C@@H]([NH3+])C(=O)N[C@H](C)c1sc(C)nc1C ZINC000040519133 174308626 /nfs/dbraw/zinc/30/86/26/174308626.db2.gz HGHOVURMLSKXOO-MWLCHTKSSA-N 1 0 269.414 2.455 10 0 CEAERO CCc1ccc(OCC(=O)NCC[NH3+])c(C(C)(C)C)c1 ZINC000040605683 174353141 /nfs/dbraw/zinc/35/31/41/174353141.db2.gz DIVKNAJRNBAJTF-UHFFFAOYSA-N 1 0 278.396 2.000 10 0 CEAERO CO[C@@H]1C[NH2+][C@@H](c2nc(-c3ccc(C)cc3)c[nH]2)C1 ZINC000040637724 174361773 /nfs/dbraw/zinc/36/17/73/174361773.db2.gz MSJNPQVFESXZNU-QWHCGFSZSA-N 1 0 257.337 2.435 10 0 CEAERO Cn1ccnc1CC[NH2+]Cc1ccc(F)c(F)c1 ZINC000040638546 174363259 /nfs/dbraw/zinc/36/32/59/174363259.db2.gz YJIHZTOAVGWOCY-UHFFFAOYSA-N 1 0 251.280 2.031 10 0 CEAERO C[C@H]1CCC[C@@](CNc2ncnc3nc[nH]c32)([NH+](C)C)C1 ZINC000040670085 174368367 /nfs/dbraw/zinc/36/83/67/174368367.db2.gz UWRCHWZQBAKKEC-XHDPSFHLSA-N 1 0 288.399 2.275 10 0 CEAERO c1n[nH]cc1N[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000040671417 174369891 /nfs/dbraw/zinc/36/98/91/174369891.db2.gz PISKSRUHCWGUOX-CQSZACIVSA-N 1 0 256.353 2.139 10 0 CEAERO C[C@@H]([NH2+]C(C)(C)C(N)=O)c1ccc(Br)cc1 ZINC000040674050 174372359 /nfs/dbraw/zinc/37/23/59/174372359.db2.gz DSJDTSFWKBNIPK-MRVPVSSYSA-N 1 0 285.185 2.364 10 0 CEAERO CCOC1CCN([C@H](C[NH3+])c2ccc3c(c2)CCO3)CC1 ZINC000040678597 174374842 /nfs/dbraw/zinc/37/48/42/174374842.db2.gz YXUZFYRWXCEGOR-MRXNPFEDSA-N 1 0 290.407 2.122 10 0 CEAERO CC(=O)CCCN1CCC([NH+]2CCCCC2)CC1 ZINC000040694227 174377713 /nfs/dbraw/zinc/37/77/13/174377713.db2.gz QACODDHCPLCQGT-UHFFFAOYSA-N 1 0 252.402 2.306 10 0 CEAERO O=C(CN1CCC([NH+]2CCCCC2)CC1)c1ccco1 ZINC000040694233 174377730 /nfs/dbraw/zinc/37/77/30/174377730.db2.gz HSFYXBITTQLLBD-UHFFFAOYSA-N 1 0 276.380 2.413 10 0 CEAERO NNc1[nH+]cnc(Nc2ccccc2C(F)(F)F)c1N ZINC000040701813 174379220 /nfs/dbraw/zinc/37/92/20/174379220.db2.gz PCOILCPJWVCXEE-UHFFFAOYSA-N 1 0 284.245 2.107 10 0 CEAERO [NH3+][C@@H](CCO)c1nc2cccc(Cl)c2n1C1CC1 ZINC000040710391 174380849 /nfs/dbraw/zinc/38/08/49/174380849.db2.gz TWMPLJTZDUOZKF-JTQLQIEISA-N 1 0 265.744 2.407 10 0 CEAERO C[C@@H]1CCN(c2nc3sccn3c2C[NH2+]C2CC2)C1 ZINC000040723715 174385953 /nfs/dbraw/zinc/38/59/53/174385953.db2.gz HHKWIMZEVWPRPB-SNVBAGLBSA-N 1 0 276.409 2.494 10 0 CEAERO Cc1nn(CCOc2ccccc2C[NH3+])c(C)c1C ZINC000040729020 174388197 /nfs/dbraw/zinc/38/81/97/174388197.db2.gz CCQNKYGILVWBIW-UHFFFAOYSA-N 1 0 259.353 2.346 10 0 CEAERO CCc1c(C)nn(-c2c(C[NH2+]C3CC3)c(C)nn2C)c1C ZINC000040733474 174388864 /nfs/dbraw/zinc/38/88/64/174388864.db2.gz HTEJLNBIXFDXPO-UHFFFAOYSA-N 1 0 287.411 2.345 10 0 CEAERO CC(C)c1ccc([C@H]([NH3+])CN2C(=O)C[C@@H](C)C2=O)cc1 ZINC000040739744 174390508 /nfs/dbraw/zinc/39/05/08/174390508.db2.gz YPOLOXMLOVVNHE-BXUZGUMPSA-N 1 0 274.364 2.205 10 0 CEAERO CCCc1ccc([C@@H]([NH3+])CN2C(=O)C[C@H](C)C2=O)cc1 ZINC000040739765 174390570 /nfs/dbraw/zinc/39/05/70/174390570.db2.gz RUTVBAPBUFNDAH-FZMZJTMJSA-N 1 0 274.364 2.034 10 0 CEAERO COc1cc(CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1O ZINC000040746536 174391264 /nfs/dbraw/zinc/39/12/64/174391264.db2.gz NFTMXEXNGJUDMP-PBWFPOADSA-N 1 0 276.380 2.116 10 0 CEAERO CCN(c1ccc(C(N)=O)cc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748835 174393724 /nfs/dbraw/zinc/39/37/24/174393724.db2.gz TYDISLYEWVLTLV-FUNVUKJBSA-N 1 0 291.370 2.034 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c2ccccc12 ZINC000040749707 174394383 /nfs/dbraw/zinc/39/43/83/174394383.db2.gz MZSRFFKPCWMJNG-YOGCLGLASA-N 1 0 269.348 2.262 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)/C=C/c1cccs1 ZINC000040749709 174394442 /nfs/dbraw/zinc/39/44/42/174394442.db2.gz LKBVUEJCLIKLDA-YHOKGMLGSA-N 1 0 262.378 2.242 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)cc1O ZINC000040749628 174394569 /nfs/dbraw/zinc/39/45/69/174394569.db2.gz HZAPBUOYRAMCDP-FGWVZKOKSA-N 1 0 280.755 2.140 10 0 CEAERO COC(=O)c1ccccc1CNCC[NH+]1CCCCCC1 ZINC000040767819 174398019 /nfs/dbraw/zinc/39/80/19/174398019.db2.gz QIUKJCUZZPQZRJ-UHFFFAOYSA-N 1 0 290.407 2.439 10 0 CEAERO CCNC(=O)c1cc(NCC[NH+]2CCCCCC2)ccn1 ZINC000040768090 174398726 /nfs/dbraw/zinc/39/87/26/174398726.db2.gz NJDHEXJBVDMNFG-UHFFFAOYSA-N 1 0 290.411 2.119 10 0 CEAERO C[C@H]1CCC[C@@]([NH3+])(c2nc(-c3ccncc3)no2)C1 ZINC000041035583 174458479 /nfs/dbraw/zinc/45/84/79/174458479.db2.gz PTXRIJNLSAGVIT-HZMBPMFUSA-N 1 0 258.325 2.496 10 0 CEAERO C[NH2+]C[C@H]1CCCN(c2nc(C)cc(C(C)C)n2)C1 ZINC000122550054 414788991 /nfs/dbraw/zinc/78/89/91/414788991.db2.gz FEHXDXDDJURXKZ-CYBMUJFWSA-N 1 0 262.401 2.344 10 0 CEAERO Cc1cc(C(C)C)nc(N2CCC(OCCC[NH3+])CC2)n1 ZINC000122595040 414789034 /nfs/dbraw/zinc/78/90/34/414789034.db2.gz XXZYAYUWKODONJ-UHFFFAOYSA-N 1 0 292.427 2.243 10 0 CEAERO CC(C)([NH3+])c1cn(CCSc2ccc(F)cc2)nn1 ZINC000070117919 414764825 /nfs/dbraw/zinc/76/48/25/414764825.db2.gz QUYKNSCHBRDCTL-UHFFFAOYSA-N 1 0 280.372 2.403 10 0 CEAERO CSc1ccc(Cn2cc(C(C)(C)[NH3+])nn2)cc1 ZINC000070118331 414765319 /nfs/dbraw/zinc/76/53/19/414765319.db2.gz PYCFWLDOLQTUIR-UHFFFAOYSA-N 1 0 262.382 2.242 10 0 CEAERO CCCCOC[C@H](O)C[N@@H+]1C[C@@H](CC)OC[C@H]1CC ZINC000403727654 414767139 /nfs/dbraw/zinc/76/71/39/414767139.db2.gz ACFVZHCZQPVMKA-RBSFLKMASA-N 1 0 273.417 2.053 10 0 CEAERO O=C(CC[C@H]1CCC[NH2+]1)NC[C@H]1CC2CCC1CC2 ZINC000400132190 414747567 /nfs/dbraw/zinc/74/75/67/414747567.db2.gz VNGCJUBQBYNYAN-NEXFUWMNSA-N 1 0 264.413 2.461 10 0 CEAERO [NH3+]CC[C@H](O)CCOc1c(Cl)cccc1Cl ZINC000041357907 174535656 /nfs/dbraw/zinc/53/56/56/174535656.db2.gz REVKOZBINPXLEE-QMMMGPOBSA-N 1 0 264.152 2.472 10 0 CEAERO COc1ccc(Cl)cc1C[C@@H](O)[C@@H]1CCC[NH2+]C1 ZINC000041390817 174545037 /nfs/dbraw/zinc/54/50/37/174545037.db2.gz YEKRMFSOMSHSNR-ZWNOBZJWSA-N 1 0 269.772 2.252 10 0 CEAERO Cc1cccc(C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)c1C ZINC000662975855 414815018 /nfs/dbraw/zinc/81/50/18/414815018.db2.gz KNCQLFMZJSDWMQ-NSHDSACASA-N 1 0 274.286 2.265 10 0 CEAERO CN(C(=O)c1ccc(Cl)cc1F)[C@@H](C[NH3+])C(F)(F)F ZINC000662976568 414816300 /nfs/dbraw/zinc/81/63/00/414816300.db2.gz GRKLGTJZKSDENR-VIFPVBQESA-N 1 0 298.667 2.441 10 0 CEAERO CN(C(=O)Cc1cccc(Cl)c1)[C@@H](C[NH3+])C(F)(F)F ZINC000662979693 414817047 /nfs/dbraw/zinc/81/70/47/414817047.db2.gz XJJYMUWXNYKCAB-JTQLQIEISA-N 1 0 294.704 2.231 10 0 CEAERO CN(C(=O)C1C(C)(C)C1(C)C)[C@@H](C[NH3+])C(F)(F)F ZINC000662978138 414817336 /nfs/dbraw/zinc/81/73/36/414817336.db2.gz FAIKADVFOKVFMA-ZETCQYMHSA-N 1 0 266.307 2.017 10 0 CEAERO Cc1[nH]c2ccc(C(=O)NC[C@H]3CC[NH2+]C3)cc2c1C ZINC000131858506 414818911 /nfs/dbraw/zinc/81/89/11/414818911.db2.gz ZYRGWYLAXNXAEZ-LBPRGKRZSA-N 1 0 271.364 2.124 10 0 CEAERO CN(C(=O)CC1=CCCCC1)[C@H](C[NH3+])C(F)(F)F ZINC000662986688 414819447 /nfs/dbraw/zinc/81/94/47/414819447.db2.gz IDOURHQLGAJEGQ-SNVBAGLBSA-N 1 0 264.291 2.225 10 0 CEAERO COc1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)on1 ZINC000660463663 414835969 /nfs/dbraw/zinc/83/59/69/414835969.db2.gz DUVJKRRTCGSPPV-BFHYXJOUSA-N 1 0 280.368 2.199 10 0 CEAERO CCc1ccc([C@@H](C)NC[C@H](O)C[N@@H+](C)CC)cc1 ZINC000311453117 414860437 /nfs/dbraw/zinc/86/04/37/414860437.db2.gz JTNLBAZRFNFZHG-CJNGLKHVSA-N 1 0 264.413 2.212 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC1(COC)CCC1 ZINC000311751946 414861206 /nfs/dbraw/zinc/86/12/06/414861206.db2.gz CSYFMRLPCWMBAD-CABCVRRESA-N 1 0 266.429 2.362 10 0 CEAERO Cc1cccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)c1O ZINC000653129754 414914660 /nfs/dbraw/zinc/91/46/60/414914660.db2.gz IXKCGPZHOYSRHO-RKDXNWHRSA-N 1 0 288.269 2.037 10 0 CEAERO COC(=O)c1c(C)c(C)sc1NC(=O)C[C@H]1CCC[NH2+]1 ZINC000042171470 174651680 /nfs/dbraw/zinc/65/16/80/174651680.db2.gz JHZTWJMBTKZOOE-SNVBAGLBSA-N 1 0 296.392 2.232 10 0 CEAERO CC(C)OC[C@H](O)C[NH2+][C@H](C)c1ccccc1F ZINC000042203585 174657151 /nfs/dbraw/zinc/65/71/51/174657151.db2.gz CTSZRFYJMHEZNW-VXGBXAGGSA-N 1 0 255.333 2.262 10 0 CEAERO O[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCN1Cc1ccccc1 ZINC000663372848 414932527 /nfs/dbraw/zinc/93/25/27/414932527.db2.gz ICLOMZMKWJDULY-GVDBMIGSSA-N 1 0 274.408 2.154 10 0 CEAERO Cc1ccc(OC[C@@H](C)[NH2+][C@@H]2CN3CCC2CC3)cc1 ZINC000042273699 174672332 /nfs/dbraw/zinc/67/23/32/174672332.db2.gz JLLLHEIZVRUUKI-RHSMWYFYSA-N 1 0 274.408 2.446 10 0 CEAERO Cc1[nH]c2ccccc2c1C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000653053214 414888151 /nfs/dbraw/zinc/88/81/51/414888151.db2.gz ZPMCKCBKFHNWKM-YPMHNXCESA-N 1 0 271.364 2.334 10 0 CEAERO Cc1[nH]c2ccccc2c1C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000653053213 414888867 /nfs/dbraw/zinc/88/88/67/414888867.db2.gz ZPMCKCBKFHNWKM-WCQYABFASA-N 1 0 271.364 2.334 10 0 CEAERO CN(C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)C1CCCCC1 ZINC000653055454 414889800 /nfs/dbraw/zinc/88/98/00/414889800.db2.gz DUPYQSAOCPMIAO-GHMZBOCLSA-N 1 0 278.318 2.175 10 0 CEAERO Brc1cncc(NCC23CC(C2)C[NH2+]3)c1 ZINC000663273487 414899711 /nfs/dbraw/zinc/89/97/11/414899711.db2.gz CJYLSVDGFHIKQK-UHFFFAOYSA-N 1 0 268.158 2.008 10 0 CEAERO COc1c(C[NH2+]C[C@H](C)c2ccccn2)c(C)nn1C ZINC000657532882 414990524 /nfs/dbraw/zinc/99/05/24/414990524.db2.gz NGKHZSYPSPGMKI-NSHDSACASA-N 1 0 274.368 2.025 10 0 CEAERO CCC(CC)N(CCOC)c1cc(C[NH3+])ccn1 ZINC000042613760 174825954 /nfs/dbraw/zinc/82/59/54/174825954.db2.gz LUEZQXPJGRUGJB-UHFFFAOYSA-N 1 0 251.374 2.182 10 0 CEAERO CC[NH+]1CCC(N(C)c2cccc(F)c2N)CC1 ZINC000042614919 174828212 /nfs/dbraw/zinc/82/82/12/174828212.db2.gz OBHYLFJTXUXARX-UHFFFAOYSA-N 1 0 251.349 2.328 10 0 CEAERO Cc1ccc(C[NH2+]C[C@H]2CC(=O)N(C)C2)cc1Cl ZINC000657695862 415050402 /nfs/dbraw/zinc/05/04/02/415050402.db2.gz PPHCKODIEJSKIR-GFCCVEGCSA-N 1 0 266.772 2.216 10 0 CEAERO CC(C)[C@@H](C[NH2+]C[C@H]1CC(=O)N(C)C1)c1ccccc1 ZINC000657694784 415050982 /nfs/dbraw/zinc/05/09/82/415050982.db2.gz GKPWKFJIPRQPBC-GDBMZVCRSA-N 1 0 274.408 2.494 10 0 CEAERO Cc1nnc(N(CC(F)(F)F)C(C)C)c(C(N)=[NH2+])c1C ZINC000042767631 174869382 /nfs/dbraw/zinc/86/93/82/174869382.db2.gz FCLWKVSPJUSDBL-UHFFFAOYSA-N 1 0 289.305 2.155 10 0 CEAERO OCC1CC([NH2+]Cc2ccc(Br)cc2F)C1 ZINC000657809376 415087511 /nfs/dbraw/zinc/08/75/11/415087511.db2.gz XCYPHMJRPKFPHY-UHFFFAOYSA-N 1 0 288.160 2.449 10 0 CEAERO [NH3+]C[C@H](OC[C@H]1CCOC1)c1cccc(Cl)c1 ZINC000043018852 174944173 /nfs/dbraw/zinc/94/41/73/174944173.db2.gz HXUCQRURLWXVFO-GWCFXTLKSA-N 1 0 255.745 2.393 10 0 CEAERO COc1ccccc1[C@H]([C@@H](C)[NH3+])N1CCOCC1(C)C ZINC000043097981 174966082 /nfs/dbraw/zinc/96/60/82/174966082.db2.gz ONAOJHBTECUWIJ-DOMZBBRYSA-N 1 0 278.396 2.194 10 0 CEAERO CCOC(=O)CS[C@@H](c1ccccc1OC)[C@@H](C)[NH3+] ZINC000043101733 174967918 /nfs/dbraw/zinc/96/79/18/174967918.db2.gz ZDWGWNSTEHPGPN-QMTHXVAHSA-N 1 0 283.393 2.380 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccsc1)n1nc(C)nc1C ZINC000043124262 174977364 /nfs/dbraw/zinc/97/73/64/174977364.db2.gz KGCUIVGYEUYPPC-RYUDHWBXSA-N 1 0 250.371 2.283 10 0 CEAERO C[C@H]([NH3+])[C@H](c1cnn(C)c1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000043128102 174979186 /nfs/dbraw/zinc/97/91/86/174979186.db2.gz KYYKNRHBXPUJAQ-TTZDDIAXSA-N 1 0 276.428 2.321 10 0 CEAERO C[NH2+][C@@H](c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043300265 175000854 /nfs/dbraw/zinc/00/08/54/175000854.db2.gz POEOQSUZTHXCNW-JQWIXIFHSA-N 1 0 273.785 2.035 10 0 CEAERO [NH3+][C@@H](c1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043299965 175000963 /nfs/dbraw/zinc/00/09/63/175000963.db2.gz FQWZNXBRVLMDCT-KOLCDFICSA-N 1 0 293.310 2.140 10 0 CEAERO CC[NH2+][C@@H](c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043300939 175001566 /nfs/dbraw/zinc/00/15/66/175001566.db2.gz MLZSKVYVRFRBDQ-KBPBESRZSA-N 1 0 267.394 2.080 10 0 CEAERO O=C(Nc1cccc(N[C@@H]2CCC[NH2+]C2)c1)C1CC1 ZINC000043324432 175006820 /nfs/dbraw/zinc/00/68/20/175006820.db2.gz RIIWSBBSQLLZFA-CQSZACIVSA-N 1 0 259.353 2.199 10 0 CEAERO Cc1ccc(-c2nnco2)cc1N[C@@H]1CCC[NH2+]C1 ZINC000043326341 175007653 /nfs/dbraw/zinc/00/76/53/175007653.db2.gz SETBDMLGRISWAF-GFCCVEGCSA-N 1 0 258.325 2.209 10 0 CEAERO CN(C)C(=O)c1cc(N[C@@H]2CCC[NH2+]C2)ccc1Cl ZINC000043326377 175007693 /nfs/dbraw/zinc/00/76/93/175007693.db2.gz ACOBHMWMDOXARG-LLVKDONJSA-N 1 0 281.787 2.206 10 0 CEAERO COc1ccc(N[C@@H]2CCC[NH2+]C2)cc1OC(F)F ZINC000043326679 175007975 /nfs/dbraw/zinc/00/79/75/175007975.db2.gz SUHWLECERLWPND-SNVBAGLBSA-N 1 0 272.295 2.461 10 0 CEAERO C[C@H]([NH3+])[C@H](c1ccco1)N(C)C[C@@H]1CCCCO1 ZINC000043335729 175011463 /nfs/dbraw/zinc/01/14/63/175011463.db2.gz HCPOCRDUWJQCCI-SGMGOOAPSA-N 1 0 252.358 2.169 10 0 CEAERO CCOC(=O)CS[C@H](c1ccco1)[C@H]([NH3+])CC ZINC000043338546 175013118 /nfs/dbraw/zinc/01/31/18/175013118.db2.gz JEDPTFVHYSIKPW-SKDRFNHKSA-N 1 0 257.355 2.354 10 0 CEAERO [NH3+]C[C@@H](Oc1ccc2c(c1)CCC(=O)N2)c1ccccn1 ZINC000043341768 175015020 /nfs/dbraw/zinc/01/50/20/175015020.db2.gz UMEBOJJTZRLWGK-OAHLLOKOSA-N 1 0 283.331 2.045 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1ccccn1)N(CC(F)(F)F)C1CC1 ZINC000043341179 175015033 /nfs/dbraw/zinc/01/50/33/175015033.db2.gz HCZATDYWNLTTID-SKDRFNHKSA-N 1 0 273.302 2.497 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1ccccn1)n1ccc(C(F)(F)F)n1 ZINC000043341582 175015494 /nfs/dbraw/zinc/01/54/94/175015494.db2.gz SRTPFUDKNFEQIZ-KCJUWKMLSA-N 1 0 270.258 2.234 10 0 CEAERO Cc1ncsc1CCO[C@H](c1ccccn1)[C@@H](C)[NH3+] ZINC000043342939 175015601 /nfs/dbraw/zinc/01/56/01/175015601.db2.gz KYUAMFSHDCVISJ-YGRLFVJLSA-N 1 0 277.393 2.494 10 0 CEAERO Cc1ncsc1CCO[C@@H](C[NH3+])c1ccccn1 ZINC000043342933 175015989 /nfs/dbraw/zinc/01/59/89/175015989.db2.gz OAGYEIHBCSLMBJ-LBPRGKRZSA-N 1 0 263.366 2.106 10 0 CEAERO CC[C@H]([NH3+])[C@@H](SCCC(=O)OC)c1ccccn1 ZINC000043345059 175016458 /nfs/dbraw/zinc/01/64/58/175016458.db2.gz CFBLOLSROFXGEC-GXFFZTMASA-N 1 0 268.382 2.156 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1cccnc1)N(C)CCc1ccccn1 ZINC000043345945 175016780 /nfs/dbraw/zinc/01/67/80/175016780.db2.gz UHJZGJDDPJYASA-IRXDYDNUSA-N 1 0 284.407 2.430 10 0 CEAERO Cc1ncsc1CCO[C@@H](c1cccnc1)[C@@H](C)[NH3+] ZINC000043350372 175019095 /nfs/dbraw/zinc/01/90/95/175019095.db2.gz KYLJGRYXACTHGN-QMTHXVAHSA-N 1 0 277.393 2.494 10 0 CEAERO [NH3+]C[C@@H](c1cccnc1)n1ccnc1-c1ccccc1 ZINC000043348932 175019192 /nfs/dbraw/zinc/01/91/92/175019192.db2.gz FEOFEXQZUQSVEX-HNNXBMFYSA-N 1 0 264.332 2.493 10 0 CEAERO COc1ccc(CN(C)[C@@H](C[NH3+])c2ccncc2)cc1 ZINC000043354027 175021356 /nfs/dbraw/zinc/02/13/56/175021356.db2.gz PALWQBMGPJOSIF-INIZCTEOSA-N 1 0 271.364 2.222 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccncc1)N(CCOC)CC(C)C ZINC000043354389 175021799 /nfs/dbraw/zinc/02/17/99/175021799.db2.gz OYNIOHCCKLNUTQ-HOTGVXAUSA-N 1 0 279.428 2.464 10 0 CEAERO [NH3+]C[C@@H](c1ccncc1)N(Cc1ccco1)C1CC1 ZINC000043354771 175022590 /nfs/dbraw/zinc/02/25/90/175022590.db2.gz NLIAYHQVPYQBQA-HNNXBMFYSA-N 1 0 257.337 2.339 10 0 CEAERO COc1cc(C)ccc1O[C@H](C[NH3+])c1ccncc1 ZINC000043355512 175022956 /nfs/dbraw/zinc/02/29/56/175022956.db2.gz UONJWBLJRUCACY-OAHLLOKOSA-N 1 0 258.321 2.477 10 0 CEAERO CCc1c(C)nn([C@@H](c2ccncc2)[C@H](C)[NH3+])c1C ZINC000043355009 175022968 /nfs/dbraw/zinc/02/29/68/175022968.db2.gz KDURJCHLFDDAQF-ZUZCIYMTSA-N 1 0 258.369 2.394 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Oc1ccc(C(N)=O)cc1)c1ccncc1 ZINC000043355891 175023588 /nfs/dbraw/zinc/02/35/88/175023588.db2.gz ZZSDRMJEMOWSKB-GJZGRUSLSA-N 1 0 285.347 2.038 10 0 CEAERO Cc1cnc(S[C@H](c2ccncc2)[C@@H](C)[NH3+])nc1 ZINC000043363605 175024039 /nfs/dbraw/zinc/02/40/39/175024039.db2.gz QEBBSTPNMZFQGW-PWSUYJOCSA-N 1 0 260.366 2.361 10 0 CEAERO Cc1cc(=O)[nH]c(S[C@H](c2ccncc2)[C@@H](C)[NH3+])n1 ZINC000043363223 175024270 /nfs/dbraw/zinc/02/42/70/175024270.db2.gz FIFJJENGPVRRGX-SKDRFNHKSA-N 1 0 276.365 2.066 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccc(C)o1)N1CCC(OC)CC1 ZINC000043364104 175024463 /nfs/dbraw/zinc/02/44/63/175024463.db2.gz XABACJWXVAJWCG-DZGCQCFKSA-N 1 0 266.385 2.477 10 0 CEAERO Cc1cc(CN(C)[C@H](c2ccc(C)o2)[C@@H](C)[NH3+])no1 ZINC000043364433 175024574 /nfs/dbraw/zinc/02/45/74/175024574.db2.gz HLHZUWJQSJQLAD-RISCZKNCSA-N 1 0 263.341 2.405 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)N(CC(N)=O)C1CCCC1 ZINC000043365102 175026253 /nfs/dbraw/zinc/02/62/53/175026253.db2.gz FIDMSUOCAGKDDX-BBRMVZONSA-N 1 0 293.411 2.096 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1nc[nH]n1)c1ccc(C)o1 ZINC000043367193 175027088 /nfs/dbraw/zinc/02/70/88/175027088.db2.gz GXJLLNHYCKYYRO-WPRPVWTQSA-N 1 0 252.343 2.277 10 0 CEAERO Cc1ccc(CN(C)[C@@H]([C@@H](C)[NH3+])C(F)(F)F)o1 ZINC000043377186 175030093 /nfs/dbraw/zinc/03/00/93/175030093.db2.gz HNKWKXKHMKBNSS-SCZZXKLOSA-N 1 0 250.264 2.298 10 0 CEAERO CC[C@H]([NH3+])[C@@H](N(CC)C[C@@H]1CCCO1)C(F)(F)F ZINC000043378378 175030617 /nfs/dbraw/zinc/03/06/17/175030617.db2.gz KUKPVMAAANZKLP-GARJFASQSA-N 1 0 268.323 2.156 10 0 CEAERO CC[C@H]([NH3+])[C@H](N(CCO)C1CCCCC1)C(F)(F)F ZINC000043378979 175030924 /nfs/dbraw/zinc/03/09/24/175030924.db2.gz QFCFZCSYFNTTQE-RYUDHWBXSA-N 1 0 282.350 2.282 10 0 CEAERO C[C@H]([NH3+])[C@@H](OCCCc1ccncc1)C(F)(F)F ZINC000043384889 175031708 /nfs/dbraw/zinc/03/17/08/175031708.db2.gz CFEVETHRBSFJGN-GXSJLCMTSA-N 1 0 262.275 2.309 10 0 CEAERO C[NH2+][C@H](c1ccc(Cl)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043389111 175033265 /nfs/dbraw/zinc/03/32/65/175033265.db2.gz UBFWWMZWYDNIHD-JOYOIKCWSA-N 1 0 291.775 2.174 10 0 CEAERO C[C@H]([NH3+])Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000043391668 175034440 /nfs/dbraw/zinc/03/44/40/175034440.db2.gz HRIIHYLDTFLXAV-YFKPBYRVSA-N 1 0 257.215 2.044 10 0 CEAERO C[NH2+][C@H](CN1CCCCC1)c1ccc(OC)cc1OC ZINC000043813881 175111856 /nfs/dbraw/zinc/11/18/56/175111856.db2.gz KWOKUZIAMPWUHP-OAHLLOKOSA-N 1 0 278.396 2.450 10 0 CEAERO C[NH2+][C@H](CN1CCCCC1)c1ccc2c(c1)OCO2 ZINC000043813966 175111886 /nfs/dbraw/zinc/11/18/86/175111886.db2.gz ADDPDQWHBXGNGU-CYBMUJFWSA-N 1 0 262.353 2.162 10 0 CEAERO CCC[NH2+][C@H](CN(C)C)c1ccc(OC)c(OC)c1 ZINC000043816283 175112119 /nfs/dbraw/zinc/11/21/19/175112119.db2.gz QXIPJWABNRZMDX-CYBMUJFWSA-N 1 0 266.385 2.306 10 0 CEAERO C[NH2+][C@@H](C)CCN1CCc2cc(OC)c(OC)cc2C1 ZINC000043817755 175113286 /nfs/dbraw/zinc/11/32/86/175113286.db2.gz UEXJJOHDXRWGJA-LBPRGKRZSA-N 1 0 278.396 2.060 10 0 CEAERO CCCN(C)C[C@@H]([NH2+]C)c1ccc2c(c1)OCCCO2 ZINC000043885936 175116733 /nfs/dbraw/zinc/11/67/33/175116733.db2.gz HEJIWYSISFPHQD-CQSZACIVSA-N 1 0 278.396 2.450 10 0 CEAERO CCCN(C)C[C@H]([NH2+]C)c1ccc2c(c1)OCCO2 ZINC000043885884 175117176 /nfs/dbraw/zinc/11/71/76/175117176.db2.gz SJQDYNSBLKWBGC-ZDUSSCGKSA-N 1 0 264.369 2.060 10 0 CEAERO C[NH2+][C@H](CN1CCC(OC)CC1)c1cc(C)ccc1OC ZINC000043890031 175117889 /nfs/dbraw/zinc/11/78/89/175117889.db2.gz GKVRJRGZFBFWSC-MRXNPFEDSA-N 1 0 292.423 2.375 10 0 CEAERO CC[NH2+][C@@H](CN1CCOC[C@@H]1C)c1ccccc1OC ZINC000043891406 175118112 /nfs/dbraw/zinc/11/81/12/175118112.db2.gz RKXVNFUPRUTYPZ-ZFWWWQNUSA-N 1 0 278.396 2.067 10 0 CEAERO CC[NH2+][C@@H](CN1CCOC[C@@H]1C)c1ccc(C)cc1 ZINC000043891348 175118153 /nfs/dbraw/zinc/11/81/53/175118153.db2.gz KKSUVKPHLGRVHS-HOCLYGCPSA-N 1 0 262.397 2.366 10 0 CEAERO C[NH2+][C@H]1c2ccccc2OC[C@H]1N(C)Cc1cccnc1 ZINC000043893530 175118374 /nfs/dbraw/zinc/11/83/74/175118374.db2.gz YEOWMLDCEASUKL-WBVHZDCISA-N 1 0 283.375 2.235 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2OC[C@@H]1N(C)Cc1ccccn1 ZINC000043894369 175119118 /nfs/dbraw/zinc/11/91/18/175119118.db2.gz VCHIHWQGJOYRPL-DOTOQJQBSA-N 1 0 283.375 2.235 10 0 CEAERO C[NH2+][C@H](CN1CCOC(C)(C)C1)c1ccc(OC)cc1 ZINC000043897652 175120262 /nfs/dbraw/zinc/12/02/62/175120262.db2.gz XPCJTKMULJVSGM-OAHLLOKOSA-N 1 0 278.396 2.067 10 0 CEAERO C[NH2+][C@H]1CCCCCC[C@@H]1N1CCOC(C)(C)C1 ZINC000043897632 175120307 /nfs/dbraw/zinc/12/03/07/175120307.db2.gz CSFOLZZJEICNIH-KBPBESRZSA-N 1 0 254.418 2.408 10 0 CEAERO CCOc1ccc([C@H](CN2CCOC[C@@H]2CC)[NH2+]C)cc1 ZINC000043898957 175121445 /nfs/dbraw/zinc/12/14/45/175121445.db2.gz GKGFTXXSSDQSOP-RDJZCZTQSA-N 1 0 292.423 2.457 10 0 CEAERO CC[NH2+][C@@H]1CCOC[C@@H]1N(C)C1CCCCCC1 ZINC000043899746 175121724 /nfs/dbraw/zinc/12/17/24/175121724.db2.gz QGOLJXRYJBQEPJ-CABCVRRESA-N 1 0 254.418 2.408 10 0 CEAERO CC[NH2+][C@H]1CCCC[C@@H]1N(C)CCc1ccncc1 ZINC000043902158 175122534 /nfs/dbraw/zinc/12/25/34/175122534.db2.gz CXYDUAHXGWXBGF-HOTGVXAUSA-N 1 0 261.413 2.477 10 0 CEAERO CCC[NH2+][C@H]1CCC[C@@H]1N(C)CCc1ccncc1 ZINC000043902248 175122785 /nfs/dbraw/zinc/12/27/85/175122785.db2.gz XPCRQQGDSMQNHV-HOTGVXAUSA-N 1 0 261.413 2.477 10 0 CEAERO CCOC1CCN([C@@H]2C[C@@H](C)CC[C@@H]2[NH2+]C)CC1 ZINC000043906894 175122906 /nfs/dbraw/zinc/12/29/06/175122906.db2.gz ZZZWKXNVKUFMMP-AEGPPILISA-N 1 0 254.418 2.264 10 0 CEAERO C[NH2+][C@@H](CN(C)CCOC)C12CC3CC(CC(C3)C1)C2 ZINC000043915392 175125104 /nfs/dbraw/zinc/12/51/04/175125104.db2.gz BRJBWKGOLCIGJW-KLZNEWFBSA-N 1 0 280.456 2.369 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2OC[C@H]1N(C)C[C@@H]1CCCO1 ZINC000043966166 175128198 /nfs/dbraw/zinc/12/81/98/175128198.db2.gz QPMMTRBJCOZGSE-LXZKKBNFSA-N 1 0 290.407 2.209 10 0 CEAERO C[NH2+][C@H](CN(C)Cc1cnn(C)c1)c1ccc(C)cc1C ZINC000043967171 175128354 /nfs/dbraw/zinc/12/83/54/175128354.db2.gz ULIVAKSDDSBXCH-QGZVFWFLSA-N 1 0 286.423 2.429 10 0 CEAERO CCC[C@H]([NH2+]C)[C@@H](CC)N(C)Cc1cnn(C)c1 ZINC000043967183 175128373 /nfs/dbraw/zinc/12/83/73/175128373.db2.gz UFNRHIVNYJFYJG-UONOGXRCSA-N 1 0 252.406 2.019 10 0 CEAERO CCCCN(C1CC1)[C@H]1CC2(CC[C@@H]1[NH2+]C)OCCO2 ZINC000043968095 175128948 /nfs/dbraw/zinc/12/89/48/175128948.db2.gz KTYVTJVHUXWVLD-GJZGRUSLSA-N 1 0 282.428 2.135 10 0 CEAERO CCOc1ccc([C@@H](CN(CC)CCOC)[NH2+]C)cc1 ZINC000043968524 175129871 /nfs/dbraw/zinc/12/98/71/175129871.db2.gz BUQPYFVJDBNQTG-MRXNPFEDSA-N 1 0 280.412 2.314 10 0 CEAERO CC[NH2+][C@H](CN(CCOC)C1CC1)c1ccccc1 ZINC000043969866 175131004 /nfs/dbraw/zinc/13/10/04/175131004.db2.gz AYLMSKLSGWZEHH-MRXNPFEDSA-N 1 0 262.397 2.448 10 0 CEAERO CCCO[C@H]1CCCN([C@@H]2CCC[C@@H]2[NH2+]CC)C1 ZINC000043971226 175132585 /nfs/dbraw/zinc/13/25/85/175132585.db2.gz FVLRVXWYBINVEN-SOUVJXGZSA-N 1 0 254.418 2.408 10 0 CEAERO Brc1cccnc1NC[C@H]1CCC[NH2+]C1 ZINC000044503083 175186343 /nfs/dbraw/zinc/18/63/43/175186343.db2.gz VKHYABATYDQMIA-VIFPVBQESA-N 1 0 270.174 2.256 10 0 CEAERO CCN1C(=O)/C(=C\C=C2\CCC[N@@H+]2CC)OC1=S ZINC000044709870 175235780 /nfs/dbraw/zinc/23/57/80/175235780.db2.gz DECLZXRSXROLLJ-BDLVGCLISA-N 1 0 266.366 2.034 10 0 CEAERO Cc1noc(COc2ccc3c(c2)CCC[C@H]3[NH3+])n1 ZINC000044732432 175240825 /nfs/dbraw/zinc/24/08/25/175240825.db2.gz BNSZVVBLHZJNSQ-CYBMUJFWSA-N 1 0 259.309 2.293 10 0 CEAERO O=C1NCCCC[C@@H]1[NH2+][C@H]1CCCc2cc(O)ccc21 ZINC000044747168 175242681 /nfs/dbraw/zinc/24/26/81/175242681.db2.gz MESIJWZDDZIFKR-GJZGRUSLSA-N 1 0 274.364 2.028 10 0 CEAERO Cn1ccnc1CC[NH2+][C@H]1CCCc2cc(O)ccc21 ZINC000044747469 175243114 /nfs/dbraw/zinc/24/31/14/175243114.db2.gz JPQLSLZRXUYSBI-HNNXBMFYSA-N 1 0 271.364 2.335 10 0 CEAERO [NH3+]CC1(C(=O)NCCOc2ccccc2)CCCCCC1 ZINC000044764304 175248125 /nfs/dbraw/zinc/24/81/25/175248125.db2.gz CMRPSPAWAZSKIK-UHFFFAOYSA-N 1 0 290.407 2.481 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000044798094 175255263 /nfs/dbraw/zinc/25/52/63/175255263.db2.gz WDBGSWKRIMFCPU-NSHDSACASA-N 1 0 278.352 2.161 10 0 CEAERO CC[C@H](C[NH3+])C(=O)Nc1ccc(OC(C)C)cc1 ZINC000044799809 175255663 /nfs/dbraw/zinc/25/56/63/175255663.db2.gz XLLQXRFXUUPYLC-LLVKDONJSA-N 1 0 250.342 2.397 10 0 CEAERO CC[C@@H](C)N(CC)C(=O)[C@H](C[NH3+])Cc1ccccc1 ZINC000044800644 175255687 /nfs/dbraw/zinc/25/56/87/175255687.db2.gz UCZYTBPMQUYEEH-HIFRSBDPSA-N 1 0 262.397 2.451 10 0 CEAERO CN(C(=O)[C@H](C[NH3+])Cc1ccccc1)C1CCCC1 ZINC000044800435 175255706 /nfs/dbraw/zinc/25/57/06/175255706.db2.gz ZYVXONKFZUNDLX-AWEZNQCLSA-N 1 0 260.381 2.205 10 0 CEAERO C[C@@H](C[NH3+])C(=O)NC(c1ccccc1)c1ccccc1 ZINC000044800201 175255775 /nfs/dbraw/zinc/25/57/75/175255775.db2.gz HICMCOUYBIMURT-ZDUSSCGKSA-N 1 0 268.360 2.487 10 0 CEAERO CC[C@H]1CCCN1C(=O)[C@@H](C[NH3+])Cc1ccccc1 ZINC000044803292 175256135 /nfs/dbraw/zinc/25/61/35/175256135.db2.gz AADORWSRBHIIOB-CABCVRRESA-N 1 0 260.381 2.205 10 0 CEAERO CC1(NS(=O)(=O)Cc2ccccc2C[NH3+])CCCCC1 ZINC000045046345 175296158 /nfs/dbraw/zinc/29/61/58/175296158.db2.gz CRSHIWXNOGEVNN-UHFFFAOYSA-N 1 0 296.436 2.288 10 0 CEAERO C[N@H+](CC(N)=S)Cc1cccc(C(F)(F)F)c1 ZINC000045063056 175298878 /nfs/dbraw/zinc/29/88/78/175298878.db2.gz MCDIXPDWLAHKHF-UHFFFAOYSA-N 1 0 262.300 2.423 10 0 CEAERO COc1ccc(N)cc1NC(=O)C[N@H+](C)CC(C)(C)C ZINC000045064553 175299782 /nfs/dbraw/zinc/29/97/82/175299782.db2.gz DXYZJFVKZNHAHE-UHFFFAOYSA-N 1 0 279.384 2.194 10 0 CEAERO C[C@@H](N)[C@H](c1cnn(C)c1)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045067060 175300230 /nfs/dbraw/zinc/30/02/30/175300230.db2.gz NXBNMSFXCYRGJI-DAXOMENPSA-N 1 0 276.428 2.463 10 0 CEAERO Nc1ccc(=O)n(CC[N@@H+]2CCC[C@@H]2C2CCCC2)c1 ZINC000045066869 175300389 /nfs/dbraw/zinc/30/03/89/175300389.db2.gz PHRKKLQDHPPBPZ-OAHLLOKOSA-N 1 0 275.396 2.085 10 0 CEAERO CN1CCC(CN)([N@@H+]2CCC[C@H]2C2CCCC2)CC1 ZINC000045071273 175301356 /nfs/dbraw/zinc/30/13/56/175301356.db2.gz IRHOUFBIFCIUTK-HNNXBMFYSA-N 1 0 265.445 2.064 10 0 CEAERO CCCNC(=O)CC[NH2+][C@H]1CCOc2ccc(OC)cc21 ZINC000045072880 175301676 /nfs/dbraw/zinc/30/16/76/175301676.db2.gz QJTRJJYRIVCYMI-AWEZNQCLSA-N 1 0 292.379 2.025 10 0 CEAERO CCC[N@H+](CC(N)=S)Cc1ccc(OC)c(F)c1 ZINC000045093432 175306791 /nfs/dbraw/zinc/30/67/91/175306791.db2.gz WVJMNKQANDDUQD-UHFFFAOYSA-N 1 0 270.373 2.332 10 0 CEAERO COc1nc2sccn2c1C[NH2+][C@@H]1CC1(C)C ZINC000045117341 175311760 /nfs/dbraw/zinc/31/17/60/175311760.db2.gz FQJFTRVNKARBPF-SECBINFHSA-N 1 0 251.355 2.293 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+][C@@H]2CN3CCC2CC3)c1C ZINC000045167584 175319449 /nfs/dbraw/zinc/31/94/49/175319449.db2.gz GPTJMFPNTZGMFR-IAQYHMDHSA-N 1 0 276.428 2.265 10 0 CEAERO CCn1nc(C)c(-c2c[nH]c([C@@H]3CCC[NH2+]3)n2)c1C ZINC000045169313 175319975 /nfs/dbraw/zinc/31/99/75/175319975.db2.gz GZZVGEILOWFPCP-NSHDSACASA-N 1 0 259.357 2.334 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)[NH2+][C@H](C)C(=O)N1CCCCC1 ZINC000045171784 175321064 /nfs/dbraw/zinc/32/10/64/175321064.db2.gz KOMYYBGBODCSDZ-DGCLKSJQSA-N 1 0 292.427 2.089 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]C2CCN(C(C)=O)CC2)c1C ZINC000045171109 175321173 /nfs/dbraw/zinc/32/11/73/175321173.db2.gz JSSZYZJVNXVTDE-LLVKDONJSA-N 1 0 292.427 2.181 10 0 CEAERO CCN(CC)C(=O)CC[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000045171581 175321188 /nfs/dbraw/zinc/32/11/88/175321188.db2.gz QWUFYHNXRGYOAE-LBPRGKRZSA-N 1 0 294.443 2.429 10 0 CEAERO CCCC[N@H+](C)CC[C@](C)(NCCC)C(=O)OC ZINC000045222207 175330976 /nfs/dbraw/zinc/33/09/76/175330976.db2.gz ALEPHEUWTIGSAZ-AWEZNQCLSA-N 1 0 258.406 2.040 10 0 CEAERO CCCC[N@H+](C)CC[C@@](C)(NCC)C(=O)OCC ZINC000045222198 175331007 /nfs/dbraw/zinc/33/10/07/175331007.db2.gz GFYCXJGVAHYORH-CQSZACIVSA-N 1 0 258.406 2.040 10 0 CEAERO C[C@@](CC[NH+]1CCCCCCC1)([NH2+]C1CC1)C(=O)[O-] ZINC000045223736 175331571 /nfs/dbraw/zinc/33/15/71/175331571.db2.gz RBHDJWPDSZKCSC-HNNXBMFYSA-N 1 0 268.401 2.238 10 0 CEAERO CCN(CC[C@@](C)([NH2+]C(C)C)C(N)=O)c1ccccc1C ZINC000045223107 175331607 /nfs/dbraw/zinc/33/16/07/175331607.db2.gz DZMYWIOXCPCTQR-QGZVFWFLSA-N 1 0 291.439 2.453 10 0 CEAERO CCC[NH+](CCC)CC[C@@](C)(NCC)C(=O)OC ZINC000045230474 175334909 /nfs/dbraw/zinc/33/49/09/175334909.db2.gz PYDDYOXJOBMMHV-CQSZACIVSA-N 1 0 258.406 2.040 10 0 CEAERO CCN(CC[C@](C)([NH2+]C(C)C)C(N)=O)c1ccccc1 ZINC000045232176 175335893 /nfs/dbraw/zinc/33/58/93/175335893.db2.gz PTKXTWKNRGAZJV-INIZCTEOSA-N 1 0 277.412 2.145 10 0 CEAERO CCCC[NH+](CCCC)CC[C@@](C)([NH2+]C)C(=O)[O-] ZINC000045232753 175336167 /nfs/dbraw/zinc/33/61/67/175336167.db2.gz HXQTZZVSHWHQNY-CQSZACIVSA-N 1 0 258.406 2.341 10 0 CEAERO CCC[N@H+](CC)C[C@@](NC)(C(=O)OCC)c1ccccc1 ZINC000045267447 175340206 /nfs/dbraw/zinc/34/02/06/175340206.db2.gz LJFQCQLRMDPXHF-KRWDZBQOSA-N 1 0 292.423 2.396 10 0 CEAERO CCCN[C@@](C)(CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(N)=O ZINC000045272162 175342936 /nfs/dbraw/zinc/34/29/36/175342936.db2.gz LZYFQMIMMMBDCT-UXLLHSPISA-N 1 0 295.471 2.132 10 0 CEAERO CCCN[C@@](C)(C[N@H+](CCC)CC1CC1)C(=O)OCC ZINC000045276831 175346260 /nfs/dbraw/zinc/34/62/60/175346260.db2.gz IBPRPTXOWZNCCU-INIZCTEOSA-N 1 0 284.444 2.430 10 0 CEAERO CCC[N@H+](CC1CC1)C[C@@](N)(C(=O)OC)c1ccccc1 ZINC000045276757 175346692 /nfs/dbraw/zinc/34/66/92/175346692.db2.gz DHKLXBOFCNLXBT-KRWDZBQOSA-N 1 0 290.407 2.136 10 0 CEAERO CCCC[N@H+](C[C@@](C)(NCCC)C(=O)OC)C1CC1 ZINC000045276254 175346741 /nfs/dbraw/zinc/34/67/41/175346741.db2.gz BKHNREHJVJDPBY-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CN[C@](C)(CC[N@@H+]1CCC[C@@H]1C1CCCC1)C(=O)OC ZINC000045277412 175347022 /nfs/dbraw/zinc/34/70/22/175347022.db2.gz ORSDDOAELWOZEZ-GDBMZVCRSA-N 1 0 282.428 2.182 10 0 CEAERO CC(C)[N@H+](CC[C@](C)([NH2+]C1CC1)C(=O)[O-])CC1CC1 ZINC000045281016 175350827 /nfs/dbraw/zinc/35/08/27/175350827.db2.gz QLSUYGPTEUNUBF-HNNXBMFYSA-N 1 0 268.401 2.092 10 0 CEAERO CCOC(=O)[C@@](C)(C[N@H+](C)C1CCC(CC)CC1)NC ZINC000045281099 175351715 /nfs/dbraw/zinc/35/17/15/175351715.db2.gz VMLBONVCIWTGSB-ZBCRRDGASA-N 1 0 284.444 2.428 10 0 CEAERO CCOC(=O)[C@@](C)(C[N@H+](C)CCC(C)C)NC(C)C ZINC000045281243 175351792 /nfs/dbraw/zinc/35/17/92/175351792.db2.gz UGXKXDUSBOTCOM-OAHLLOKOSA-N 1 0 272.433 2.284 10 0 CEAERO C[N@H+](CC[C@](C)([NH2+]C1CC1)C(=O)[O-])CC1CCCCC1 ZINC000045281622 175352411 /nfs/dbraw/zinc/35/24/11/175352411.db2.gz IQJVDMVFMZASPM-INIZCTEOSA-N 1 0 282.428 2.484 10 0 CEAERO CCCC[N@H+](C)CCC[C@@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000045368326 175362900 /nfs/dbraw/zinc/36/29/00/175362900.db2.gz AODLRLCIIUJAAF-CQSZACIVSA-N 1 0 256.390 2.094 10 0 CEAERO CCOC(=O)[C@@H](C[N@H+](CC)C1CCCCC1)NC1CC1 ZINC000045372259 175364993 /nfs/dbraw/zinc/36/49/93/175364993.db2.gz PYOPJMPKTMOJEJ-OAHLLOKOSA-N 1 0 282.428 2.325 10 0 CEAERO CCOC(=O)[C@@](C)(CCC[N@@H+]1CCCC[C@@H]1C)NC ZINC000045376137 175366463 /nfs/dbraw/zinc/36/64/63/175366463.db2.gz MUXPHSCRXBIDQS-DZGCQCFKSA-N 1 0 270.417 2.182 10 0 CEAERO CCC[NH+](CCC)CCCC[C@@](C)(NC)C(=O)OC ZINC000045378516 175367445 /nfs/dbraw/zinc/36/74/45/175367445.db2.gz ZWAHJCYXHGXBOH-OAHLLOKOSA-N 1 0 272.433 2.430 10 0 CEAERO CCC[NH+](CCC)CCC[C@@](C)(NCC)C(=O)OC ZINC000045378611 175367595 /nfs/dbraw/zinc/36/75/95/175367595.db2.gz YVMHVDVHHNELGA-OAHLLOKOSA-N 1 0 272.433 2.430 10 0 CEAERO CCC[NH+](CCC)CCC[C@](C)([NH2+]CC)C(=O)[O-] ZINC000045378567 175367697 /nfs/dbraw/zinc/36/76/97/175367697.db2.gz FHRVWHFTODRYSU-AWEZNQCLSA-N 1 0 258.406 2.341 10 0 CEAERO C[C@](CCCC[NH+]1CCCCC1)([NH2+]C1CC1)C(=O)[O-] ZINC000045378223 175367832 /nfs/dbraw/zinc/36/78/32/175367832.db2.gz OFNYSASSYVTQMZ-OAHLLOKOSA-N 1 0 268.401 2.238 10 0 CEAERO CCOC(=O)[C@H](C[N@H+]1[C@H](C)CCC[C@@H]1C)NC(C)C ZINC000045379502 175368017 /nfs/dbraw/zinc/36/80/17/175368017.db2.gz ZTBQBFXDRLBDAY-MJBXVCDLSA-N 1 0 270.417 2.179 10 0 CEAERO COC(=O)[C@](C)(CCC[N@H+](C)CC(C)C)NC1CC1 ZINC000045381050 175369774 /nfs/dbraw/zinc/36/97/74/175369774.db2.gz OLMWELUACHKPJK-HNNXBMFYSA-N 1 0 270.417 2.038 10 0 CEAERO CC[N@H+](CCC[C@@](C)(NC(C)C)C(=O)OC)C(C)C ZINC000045383880 175371025 /nfs/dbraw/zinc/37/10/25/175371025.db2.gz QDRJOADOKOWVBW-OAHLLOKOSA-N 1 0 272.433 2.427 10 0 CEAERO CC[N@H+](CCC[C@@](C)([NH2+]C1CC1)C(=O)[O-])C(C)C ZINC000045383786 175371421 /nfs/dbraw/zinc/37/14/21/175371421.db2.gz VGRPQXLNQUXISF-CQSZACIVSA-N 1 0 256.390 2.092 10 0 CEAERO CC[NH2+][C@](C)(CCC[N@H+](C)C1CCCC1)C(=O)[O-] ZINC000045384777 175372061 /nfs/dbraw/zinc/37/20/61/175372061.db2.gz VGVGLRICXAWMCH-CQSZACIVSA-N 1 0 256.390 2.094 10 0 CEAERO CC[N@H+](CCCC[C@@](C)([NH2+]C1CC1)C(=O)[O-])C1CC1 ZINC000045386318 175373214 /nfs/dbraw/zinc/37/32/14/175373214.db2.gz KZSXYUPQDBLFMW-OAHLLOKOSA-N 1 0 268.401 2.236 10 0 CEAERO C[NH2+][C@@](C)(CCC[N@H+](C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000045421003 175380339 /nfs/dbraw/zinc/38/03/39/175380339.db2.gz KKZBPMVAPUDSFT-FZMZJTMJSA-N 1 0 258.406 2.196 10 0 CEAERO CC(C)CC[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)C1CC1 ZINC000658239838 415273924 /nfs/dbraw/zinc/27/39/24/415273924.db2.gz FVFOSTMZPZHMRP-OCCSQVGLSA-N 1 0 252.402 2.269 10 0 CEAERO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1cc(F)cc(F)c1 ZINC000658243087 415277440 /nfs/dbraw/zinc/27/74/40/415277440.db2.gz AGAJRSIPCGQMEO-ZJUUUORDSA-N 1 0 268.307 2.094 10 0 CEAERO Cc1cc(C)cc([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(C)C2)c1 ZINC000658243459 415278039 /nfs/dbraw/zinc/27/80/39/415278039.db2.gz DIGSUPMCMNWVFW-KGLIPLIRSA-N 1 0 260.381 2.432 10 0 CEAERO CN1C[C@@H](C[NH2+][C@H]2CCCc3ccccc32)CC1=O ZINC000658245824 415280843 /nfs/dbraw/zinc/28/08/43/415280843.db2.gz WBMCYCHKFREQIF-DOMZBBRYSA-N 1 0 258.365 2.132 10 0 CEAERO Cc1nn(-c2ccccc2)c(-n2cccc2)c1C[NH3+] ZINC000049455218 175479603 /nfs/dbraw/zinc/47/96/03/175479603.db2.gz YZLGBXPIZUOBBD-UHFFFAOYSA-N 1 0 252.321 2.430 10 0 CEAERO CC(C)[NH2+]C[C@@H](C)COc1ccc2c(c1)OCO2 ZINC000052648923 175536988 /nfs/dbraw/zinc/53/69/88/175536988.db2.gz OXYQLHBJPJWNOH-LLVKDONJSA-N 1 0 251.326 2.428 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)C1CCC(F)(F)CC1 ZINC000655525197 415327456 /nfs/dbraw/zinc/32/74/56/415327456.db2.gz HOISKBXDESAWAW-MVWJERBFSA-N 1 0 274.355 2.444 10 0 CEAERO COc1ccc([C@H](C)[NH2+]C2CC(CO)C2)c(F)c1 ZINC000658351592 415333209 /nfs/dbraw/zinc/33/32/09/415333209.db2.gz PBDMMEJTNAFGFB-WHXUTIOJSA-N 1 0 253.317 2.256 10 0 CEAERO CCc1cc(N(C)c2cccc(C(N)=[NH2+])c2)ncn1 ZINC000061952247 175658764 /nfs/dbraw/zinc/65/87/64/175658764.db2.gz TVSPNHORNOJELY-UHFFFAOYSA-N 1 0 255.325 2.091 10 0 CEAERO CC(C)N(Cc1ccccc1)C(=O)[C@]1(C)CC[NH2+]C1 ZINC000062888672 175676646 /nfs/dbraw/zinc/67/66/46/175676646.db2.gz FKSLLKXRCBKQGY-MRXNPFEDSA-N 1 0 260.381 2.423 10 0 CEAERO C[C@@H]1CCCC[C@H]1C[NH+]1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000263520746 287306927 /nfs/dbraw/zinc/30/69/27/287306927.db2.gz QUBDPAKUGNIOAB-KGLIPLIRSA-N 1 0 282.428 2.294 10 0 CEAERO CC[C@@H]1CC[C@@H](C)N(C(=O)[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000659374534 415545259 /nfs/dbraw/zinc/54/52/59/415545259.db2.gz MYOPCWLEZBOVEI-RQJABVFESA-N 1 0 252.402 2.412 10 0 CEAERO CO[C@@H](CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C)C1CCCCC1 ZINC000659385163 415554798 /nfs/dbraw/zinc/55/47/98/415554798.db2.gz VTQATTZKDBJECR-YUELXQCFSA-N 1 0 282.428 2.086 10 0 CEAERO CC[NH2+][C@@H](C)[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000070399064 175909942 /nfs/dbraw/zinc/90/99/42/175909942.db2.gz HZINQZVJZXSTBT-UFBFGSQYSA-N 1 0 271.744 2.143 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccccn1)Cc1cccnc1N ZINC000070407174 175913722 /nfs/dbraw/zinc/91/37/22/175913722.db2.gz HEKNQYGWDYVQTD-OAHLLOKOSA-N 1 0 270.380 2.212 10 0 CEAERO [NH3+]C[C@@]1(CO)C[C@@H]1c1ccc(Br)cc1F ZINC000070500398 175958027 /nfs/dbraw/zinc/95/80/27/175958027.db2.gz JPAZMNBRYDNXTO-MWLCHTKSSA-N 1 0 274.133 2.013 10 0 CEAERO OC[C@](COc1ccc2c(c1)CCC2)([NH2+]C1CC1)C1CC1 ZINC000070517786 175965935 /nfs/dbraw/zinc/96/59/35/175965935.db2.gz RQRJHMZSQNHGDV-GOSISDBHSA-N 1 0 287.403 2.447 10 0 CEAERO CC[NH2+][C@](C)(CO)CSc1nc2cc(OC)ccc2[nH]1 ZINC000070520684 175966433 /nfs/dbraw/zinc/96/64/33/175966433.db2.gz YHVHUPAJUKHQSM-CQSZACIVSA-N 1 0 295.408 2.024 10 0 CEAERO O=C(CC[C@H]1CCCC[NH2+]1)N[C@@H]1COc2ccccc21 ZINC000070530649 175972599 /nfs/dbraw/zinc/97/25/99/175972599.db2.gz MYVAIURJJGEJFR-TZMCWYRMSA-N 1 0 274.364 2.159 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C)CN([C@@H]2COc3ccccc32)C1 ZINC000070530735 175973458 /nfs/dbraw/zinc/97/34/58/175973458.db2.gz RXRMJSYQDGLWHA-KCQAQPDRSA-N 1 0 260.381 2.298 10 0 CEAERO COc1ccc2cc([C@@H]3C[C@@]3(C[NH3+])CO)ccc2c1 ZINC000070553444 175982187 /nfs/dbraw/zinc/98/21/87/175982187.db2.gz DSGPZSFFZKWNRR-JKSUJKDBSA-N 1 0 257.333 2.273 10 0 CEAERO C[C@@]([NH3+])(C(=O)NCc1ccc(Cl)s1)C1CC1 ZINC000070599965 175995792 /nfs/dbraw/zinc/99/57/92/175995792.db2.gz FCNBSMSYPMQZBJ-NSHDSACASA-N 1 0 258.774 2.145 10 0 CEAERO C[NH2+]Cc1nc(Cn2ncc(Cl)c2C)cs1 ZINC000070705126 176002299 /nfs/dbraw/zinc/00/22/99/176002299.db2.gz YEBRITMLRDVNGL-UHFFFAOYSA-N 1 0 256.762 2.069 10 0 CEAERO Cc1c(C[NH3+])cnn1Cc1ccc(Br)cc1 ZINC000070824366 176007357 /nfs/dbraw/zinc/00/73/57/176007357.db2.gz VFMZGLCRBLLDJO-UHFFFAOYSA-N 1 0 280.169 2.461 10 0 CEAERO Cc1c(C[NH3+])cnn1Cc1ccccc1Br ZINC000070824520 176008001 /nfs/dbraw/zinc/00/80/01/176008001.db2.gz VHCBIMYCQBMDCB-UHFFFAOYSA-N 1 0 280.169 2.461 10 0 CEAERO C[NH2+][C@@H](C)c1csc(N2CCCSCC2)n1 ZINC000070846155 176008926 /nfs/dbraw/zinc/00/89/26/176008926.db2.gz DXTYSVPVCDDSBP-VIFPVBQESA-N 1 0 257.428 2.367 10 0 CEAERO CCN(C(=O)c1ccc(Cl)s1)[C@@H]1CC[NH2+]C1 ZINC000070898653 176010646 /nfs/dbraw/zinc/01/06/46/176010646.db2.gz BMQYYWQAVSMTRB-MRVPVSSYSA-N 1 0 258.774 2.226 10 0 CEAERO CN(C)c1ccc(C(=O)N(CC[NH3+])C2CCCC2)cc1 ZINC000070943623 176016783 /nfs/dbraw/zinc/01/67/83/176016783.db2.gz SQZQZUWCKNNEGC-UHFFFAOYSA-N 1 0 275.396 2.096 10 0 CEAERO Cc1ccc(C)c([C@@H]2[C@H]([NH3+])CCC(=O)N2C2CC2)c1 ZINC000070987397 176018646 /nfs/dbraw/zinc/01/86/46/176018646.db2.gz UIWZTHKPVRNHMH-GDBMZVCRSA-N 1 0 258.365 2.457 10 0 CEAERO CC[N@H+](CCC(=O)OC)C[C@H]1OCCc2ccccc21 ZINC000071030869 176022125 /nfs/dbraw/zinc/02/21/25/176022125.db2.gz QAFZLOUYLBCSRG-OAHLLOKOSA-N 1 0 277.364 2.185 10 0 CEAERO C[C@H](Cc1ccc(F)cc1)N1CCC[C@H]([NH2+]C2CC2)C1=O ZINC000071031282 176022638 /nfs/dbraw/zinc/02/26/38/176022638.db2.gz UKNASYAVVSVZCC-WBMJQRKESA-N 1 0 290.382 2.500 10 0 CEAERO CC[NH2+][C@H]1CCCN(C[C@@H]2CCCC[C@@H]2C)C1=O ZINC000071031602 176023097 /nfs/dbraw/zinc/02/30/97/176023097.db2.gz ADJCTEOUMFEHDY-IHRRRGAJSA-N 1 0 252.402 2.413 10 0 CEAERO Cc1ccc([C@H](C)N2CC[C@H]([NH2+]C(C)C)C2=O)o1 ZINC000071033721 176024224 /nfs/dbraw/zinc/02/42/24/176024224.db2.gz PHFPEFLLAXEUFQ-RYUDHWBXSA-N 1 0 250.342 2.248 10 0 CEAERO CC(C)[NH2+][C@H]1CCN([C@@H](C)CCc2ccco2)C1=O ZINC000071036748 176025762 /nfs/dbraw/zinc/02/57/62/176025762.db2.gz OOIGCWSLKICKND-JSGCOSHPSA-N 1 0 264.369 2.200 10 0 CEAERO COc1ccc(N2CC[C@@H]([NH2+]C(C)C)C2=O)cc1Cl ZINC000071038109 176026354 /nfs/dbraw/zinc/02/63/54/176026354.db2.gz SJSTWWJCRICPFG-GFCCVEGCSA-N 1 0 282.771 2.452 10 0 CEAERO C[NH2+][C@@H]1CCCN(Cc2cccc(Br)c2)C1=O ZINC000071037502 176026406 /nfs/dbraw/zinc/02/64/06/176026406.db2.gz NGPQVMUBGUYLSU-GFCCVEGCSA-N 1 0 297.196 2.160 10 0 CEAERO CCC[NH2+][C@H]1CCN(c2cccc3cccnc32)C1=O ZINC000071037598 176026567 /nfs/dbraw/zinc/02/65/67/176026567.db2.gz KMHKYPPLIVKWRO-ZDUSSCGKSA-N 1 0 269.348 2.340 10 0 CEAERO COc1ccc(C)cc1N1CC[C@H]([NH2+]C(C)C)C1=O ZINC000071037779 176026717 /nfs/dbraw/zinc/02/67/17/176026717.db2.gz RKDSCFRJFFMKFH-LBPRGKRZSA-N 1 0 262.353 2.107 10 0 CEAERO CC[NH2+][C@@H]1CCCN([C@H]2CCc3ccccc3C2)C1=O ZINC000071041960 176028120 /nfs/dbraw/zinc/02/81/20/176028120.db2.gz BPSBTJVTMSDPLO-JKSUJKDBSA-N 1 0 272.392 2.144 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCN1Cc1ccc(F)c(Cl)c1 ZINC000071042365 176028417 /nfs/dbraw/zinc/02/84/17/176028417.db2.gz GWFSZZYAKYHXND-ZDUSSCGKSA-N 1 0 282.746 2.332 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCN1c1ccc2ncccc2c1 ZINC000071042560 176028470 /nfs/dbraw/zinc/02/84/70/176028470.db2.gz IWGBFOPUMXUCEE-HNNXBMFYSA-N 1 0 267.332 2.092 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN([C@@H]2CCOc3ccccc32)C1=O ZINC000071043223 176029034 /nfs/dbraw/zinc/02/90/34/176029034.db2.gz DPCXOSIKECIKPP-ZIAGYGMSSA-N 1 0 274.364 2.109 10 0 CEAERO C[NH2+][C@@H]1CCCN(Cc2ccc(C(F)(F)F)cc2)C1=O ZINC000071042737 176029154 /nfs/dbraw/zinc/02/91/54/176029154.db2.gz VDSIDEXVGWHPHR-GFCCVEGCSA-N 1 0 286.297 2.416 10 0 CEAERO CCN(CC)CC[NH2+]C[C@H]1OCCc2ccccc21 ZINC000071045057 176029844 /nfs/dbraw/zinc/02/98/44/176029844.db2.gz HZXUDNMWKJHSMD-MRXNPFEDSA-N 1 0 262.397 2.232 10 0 CEAERO CC(C)[C@@H](CN(C)C)[NH2+]C[C@H]1OCCc2ccccc21 ZINC000071090878 176031221 /nfs/dbraw/zinc/03/12/21/176031221.db2.gz ALVYUAKJBFKMSL-IAGOWNOFSA-N 1 0 276.424 2.476 10 0 CEAERO CC(C)[C@@H](CN(C)C)[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000071090880 176031394 /nfs/dbraw/zinc/03/13/94/176031394.db2.gz ALVYUAKJBFKMSL-SJORKVTESA-N 1 0 276.424 2.476 10 0 CEAERO C[NH2+][C@H](C)c1cnn(C[C@H]2OCCc3ccccc32)c1 ZINC000071098985 176032668 /nfs/dbraw/zinc/03/26/68/176032668.db2.gz TXPNDZMTNOZIHP-MLGOLLRUSA-N 1 0 271.364 2.478 10 0 CEAERO CC[C@@H]1CCC[C@@](CN)([N@H+](C)C2CCOCC2)C1 ZINC000071123455 176034796 /nfs/dbraw/zinc/03/47/96/176034796.db2.gz KQESDUJWPBDAPT-UKRRQHHQSA-N 1 0 254.418 2.395 10 0 CEAERO CC[C@@H]1CCC[C@](CO)([NH2+]CCN(CC)CC)C1 ZINC000071127826 176036016 /nfs/dbraw/zinc/03/60/16/176036016.db2.gz LWPUEZRYQWKVDL-CABCVRRESA-N 1 0 256.434 2.249 10 0 CEAERO CC[C@@H]1CCCC[C@]1(CO)[NH2+]CCN(CC)CC ZINC000071163601 176047095 /nfs/dbraw/zinc/04/70/95/176047095.db2.gz WCOPZYMJWZNUDR-HUUCEWRRSA-N 1 0 256.434 2.249 10 0 CEAERO CCOc1cncc(N(CCC[NH3+])C2CCCCC2)n1 ZINC000071175762 176054446 /nfs/dbraw/zinc/05/44/46/176054446.db2.gz DLVQJEAFKDHLCZ-UHFFFAOYSA-N 1 0 278.400 2.363 10 0 CEAERO [NH3+]Cc1cnc(Sc2ccc(F)cc2F)cn1 ZINC000071178524 176055851 /nfs/dbraw/zinc/05/58/51/176055851.db2.gz LCYLGNZPRCQBAQ-UHFFFAOYSA-N 1 0 253.277 2.365 10 0 CEAERO CSc1ccccc1Oc1cnc(C(N)=[NH2+])cn1 ZINC000071180511 176056603 /nfs/dbraw/zinc/05/66/03/176056603.db2.gz YHMLXQQRQRUFSU-UHFFFAOYSA-N 1 0 260.322 2.275 10 0 CEAERO CCC[NH2+][C@@H]1CCc2c1cccc2O[C@H]1CCN(C)C1=O ZINC000071183210 176058302 /nfs/dbraw/zinc/05/83/02/176058302.db2.gz DYEDYJUJYUNHKQ-ZBFHGGJFSA-N 1 0 288.391 2.283 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(C)cc1O[C@@H]1CCN(C)C1=O ZINC000071183259 176058521 /nfs/dbraw/zinc/05/85/21/176058521.db2.gz ISXOFYYOMARQAL-TZMCWYRMSA-N 1 0 276.380 2.275 10 0 CEAERO CN(Cc1ccc(N)cc1Cl)C[C@H]1CC[N@H+](C)C1 ZINC000071188150 176062460 /nfs/dbraw/zinc/06/24/60/176062460.db2.gz SLZXKBJWFNKEKI-NSHDSACASA-N 1 0 267.804 2.306 10 0 CEAERO CN(C[C@H](O)c1cc2ccccc2o1)C[C@@H]1CC[N@H+](C)C1 ZINC000071190570 176066120 /nfs/dbraw/zinc/06/61/20/176066120.db2.gz GLQRUQGGQNHZRI-HIFRSBDPSA-N 1 0 288.391 2.350 10 0 CEAERO Cc1ccc(C(N)=S)c(N(C)C[C@H]2CC[N@H+](C)C2)c1 ZINC000071190374 176066369 /nfs/dbraw/zinc/06/63/69/176066369.db2.gz ANKJBVJEMOUWKZ-LBPRGKRZSA-N 1 0 277.437 2.017 10 0 CEAERO CC[C@@H]1CCC(=O)[C@@H](C[N@H+](C)C[C@@H]2CCN(C)C2)C1 ZINC000071191200 176070498 /nfs/dbraw/zinc/07/04/98/176070498.db2.gz HPQCUHCRTOFYJN-RBSFLKMASA-N 1 0 266.429 2.265 10 0 CEAERO CC(=O)c1ccc(NC(=O)N(C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071193041 176075393 /nfs/dbraw/zinc/07/53/93/176075393.db2.gz JCEJNANAPRDOFU-CYBMUJFWSA-N 1 0 289.379 2.305 10 0 CEAERO COc1ccc(CCN2CC[C@@H]([NH2+]C(C)C)C2)cc1 ZINC000071197901 176076828 /nfs/dbraw/zinc/07/68/28/176076828.db2.gz JDGXNPLFEYVBBC-OAHLLOKOSA-N 1 0 262.397 2.310 10 0 CEAERO COc1ccc(CN2CCC[C@@H]([NH2+]C3CC3)C2)c(OC)c1 ZINC000071199844 176077281 /nfs/dbraw/zinc/07/72/81/176077281.db2.gz SWIVWBLLMWAMHH-OAHLLOKOSA-N 1 0 290.407 2.420 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN(C[C@@H]2Cc3ccccc3O2)C1 ZINC000071199352 176077384 /nfs/dbraw/zinc/07/73/84/176077384.db2.gz WXWSXSWNUPRQPR-CABCVRRESA-N 1 0 260.381 2.062 10 0 CEAERO CCOC(=O)c1ncsc1N[C@@H](C[NH+](C)C)C(C)C ZINC000071202095 176078369 /nfs/dbraw/zinc/07/83/69/176078369.db2.gz HYEIVTXDZPAQBY-JTQLQIEISA-N 1 0 285.413 2.318 10 0 CEAERO C[C@H]1CCC[C@H]1NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000071209028 176081588 /nfs/dbraw/zinc/08/15/88/176081588.db2.gz GJQVGCXWVPEJQM-NILFDRSVSA-N 1 0 258.365 2.006 10 0 CEAERO CCC[NH2+]C1CCN(Cc2scnc2C)CC1 ZINC000071213124 176084679 /nfs/dbraw/zinc/08/46/79/176084679.db2.gz HHZQEWHBMTXRSK-UHFFFAOYSA-N 1 0 253.415 2.416 10 0 CEAERO CCCC1(C(=O)NCc2scnc2C)CC[NH2+]CC1 ZINC000071213509 176085500 /nfs/dbraw/zinc/08/55/00/176085500.db2.gz CYYFIUZMBFTUDB-UHFFFAOYSA-N 1 0 281.425 2.238 10 0 CEAERO COCC[N@H+](CCCOc1ccccc1)CCC(N)=S ZINC000071225841 176089528 /nfs/dbraw/zinc/08/95/28/176089528.db2.gz NLJGMGWENUWURE-UHFFFAOYSA-N 1 0 296.436 2.080 10 0 CEAERO [NH3+]Cc1cc(F)ccc1Cn1c(=O)oc2ccccc21 ZINC000071263766 176096639 /nfs/dbraw/zinc/09/66/39/176096639.db2.gz ZAWPACWEPCFJPL-UHFFFAOYSA-N 1 0 272.279 2.241 10 0 CEAERO [NH3+]Cc1cc(F)ccc1CN1CCCCCC1=O ZINC000071263745 176096801 /nfs/dbraw/zinc/09/68/01/176096801.db2.gz OCCMVPPMOSYCPE-UHFFFAOYSA-N 1 0 250.317 2.187 10 0 CEAERO C[C@@H]1CN(Cc2ccc(F)cc2C(N)=[NH2+])CC(C)(C)O1 ZINC000071267953 176101615 /nfs/dbraw/zinc/10/16/15/176101615.db2.gz RUNZOTCTWDXOSU-SNVBAGLBSA-N 1 0 279.359 2.109 10 0 CEAERO CCOC(=O)[C@H](C)C[NH2+][C@H](C)Cc1cccs1 ZINC000071269840 176103491 /nfs/dbraw/zinc/10/34/91/176103491.db2.gz JOPFGBPEFKBOOI-GHMZBOCLSA-N 1 0 255.383 2.468 10 0 CEAERO CCOC(=O)[C@@H](C)C[NH2+][C@H](C)Cc1cccs1 ZINC000071269838 176103574 /nfs/dbraw/zinc/10/35/74/176103574.db2.gz JOPFGBPEFKBOOI-WDEREUQCSA-N 1 0 255.383 2.468 10 0 CEAERO CC(C)c1ccc([C@@H](O)C[NH2+]Cc2nccn2C)cc1 ZINC000071274125 176105705 /nfs/dbraw/zinc/10/57/05/176105705.db2.gz DNPIFCOKWYQKGV-HNNXBMFYSA-N 1 0 273.380 2.367 10 0 CEAERO CCOC(=O)CCCCC[N@H+](CCOC)[C@@H](C)COC ZINC000071293269 176111157 /nfs/dbraw/zinc/11/11/57/176111157.db2.gz QFCBBJBUZHUFSN-AWEZNQCLSA-N 1 0 289.416 2.093 10 0 CEAERO CCOC(=O)CCCCC[N@@H+]1[C@H](C)CCC[C@@H]1CN ZINC000071297817 176112548 /nfs/dbraw/zinc/11/25/48/176112548.db2.gz LDNFSINQIHUGGW-ZIAGYGMSSA-N 1 0 270.417 2.312 10 0 CEAERO COc1ccc([C@H]2C[NH2+]C[C@H](C3CC3)O2)cc1F ZINC000071308489 176116257 /nfs/dbraw/zinc/11/62/57/176116257.db2.gz YTUTUEGCTHFGQG-ZIAGYGMSSA-N 1 0 251.301 2.274 10 0 CEAERO CCN(c1nnc(C)c2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000071314294 176120757 /nfs/dbraw/zinc/12/07/57/176120757.db2.gz SPOXWKGKJHCHFF-GFCCVEGCSA-N 1 0 256.353 2.126 10 0 CEAERO Cc1cc(C)cc(C(=O)NC[C@@H]2[NH2+]CCC[C@H]2C)c1 ZINC000071338517 176128584 /nfs/dbraw/zinc/12/85/84/176128584.db2.gz KPPGSENZXHNRIH-HIFRSBDPSA-N 1 0 260.381 2.421 10 0 CEAERO C[C@@H]1CCC[NH2+][C@@H]1CNC(=O)c1ccc(F)c(F)c1 ZINC000071338656 176129024 /nfs/dbraw/zinc/12/90/24/176129024.db2.gz WQVJZZWYMPSOPX-NOZJJQNGSA-N 1 0 268.307 2.083 10 0 CEAERO C[C@@H]1CCC[NH2+][C@H]1CNC(=O)c1c(F)cccc1F ZINC000071338630 176129047 /nfs/dbraw/zinc/12/90/47/176129047.db2.gz JOCIYNPTLBTGQJ-SKDRFNHKSA-N 1 0 268.307 2.083 10 0 CEAERO COc1cc(C(=O)NC[C@H]2[NH2+]CCC[C@@H]2C)ccc1C ZINC000071338670 176129121 /nfs/dbraw/zinc/12/91/21/176129121.db2.gz SGEDVUFGNASYTC-SMDDNHRTSA-N 1 0 276.380 2.122 10 0 CEAERO C[C@@H]1CCC[NH2+][C@@H]1CNC(=O)c1ccc2c(c1)CCC2 ZINC000071338672 176129151 /nfs/dbraw/zinc/12/91/51/176129151.db2.gz PCCQEPCPIUSWPX-MLGOLLRUSA-N 1 0 272.392 2.293 10 0 CEAERO CC[C@H]1C[N@H+](CC2CCOCC2)[C@H](C(C)C)CN1 ZINC000071343746 176131014 /nfs/dbraw/zinc/13/10/14/176131014.db2.gz UVBBYAUALOLMIQ-GJZGRUSLSA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@@H]1CN(Cc2cnn(CC)c2)C2(CCCC2)C[NH2+]1 ZINC000071345314 176131363 /nfs/dbraw/zinc/13/13/63/176131363.db2.gz DHAPZIXRELBLJQ-OAHLLOKOSA-N 1 0 276.428 2.400 10 0 CEAERO CC[C@@H]1CN(Cc2cnn(CC)c2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000071345653 176132053 /nfs/dbraw/zinc/13/20/53/176132053.db2.gz CGHNXZXTUXBMHK-HZPDHXFCSA-N 1 0 276.428 2.256 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@H](CC(C)C)CN1CCOCCOC ZINC000071350389 176133416 /nfs/dbraw/zinc/13/34/16/176133416.db2.gz YXGZLFGBPQHXJT-JKSUJKDBSA-N 1 0 286.460 2.138 10 0 CEAERO CC(C)C[C@@H]1CN(CCCn2ccnc2)C(C)(C)C[NH2+]1 ZINC000071351481 176134784 /nfs/dbraw/zinc/13/47/84/176134784.db2.gz XWTHUZHCJPQPEY-OAHLLOKOSA-N 1 0 278.444 2.372 10 0 CEAERO Nc1ccn(CCC[N@@H+]2CCC[C@@H]2c2cccnc2)n1 ZINC000071352054 176135052 /nfs/dbraw/zinc/13/50/52/176135052.db2.gz RGQOHJGXIWQSAU-CQSZACIVSA-N 1 0 271.368 2.088 10 0 CEAERO C[C@H]1CCCC[C@@H]1[N@H+](C)CCCn1ccc(N)n1 ZINC000071352344 176135087 /nfs/dbraw/zinc/13/50/87/176135087.db2.gz ODFWGGYCZLFLNW-STQMWFEESA-N 1 0 250.390 2.366 10 0 CEAERO CC[C@H]1CN[C@@H](Cc2ccccc2)C[N@@H+]1CCCOC ZINC000071352709 176135256 /nfs/dbraw/zinc/13/52/56/176135256.db2.gz BVTQACGJYBUHSY-IRXDYDNUSA-N 1 0 276.424 2.318 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](Cc2ccccc2)CN1[C@@H]1CCOC1 ZINC000071352764 176135536 /nfs/dbraw/zinc/13/55/36/176135536.db2.gz RNYKVBPRJZUBRK-GVDBMIGSSA-N 1 0 274.408 2.070 10 0 CEAERO CC1(C)CN[C@@H](Cc2ccccc2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000071353290 176136052 /nfs/dbraw/zinc/13/60/52/176136052.db2.gz WDEXSXLJHWWPSQ-IRXDYDNUSA-N 1 0 288.435 2.318 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(Cc2cnn(C)c2)[C@H](C(C)C)C[NH2+]1 ZINC000071354996 176136513 /nfs/dbraw/zinc/13/65/13/176136513.db2.gz NUNNAZISUQOUDV-KBMXLJTQSA-N 1 0 278.444 2.265 10 0 CEAERO CC[C@H](C)[C@H]1CN(CCn2cccn2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000071356333 176136834 /nfs/dbraw/zinc/13/68/34/176136834.db2.gz PIIMYUJPLRYUQC-USXIJHARSA-N 1 0 290.455 2.372 10 0 CEAERO Cn1cc(CN2CC3(CCCC3)[NH2+]C[C@@]2(C)C2CC2)cn1 ZINC000071359226 176137405 /nfs/dbraw/zinc/13/74/05/176137405.db2.gz OQANNGNPZGORLJ-INIZCTEOSA-N 1 0 288.439 2.307 10 0 CEAERO CC[C@H](C)[C@@H]1CNC2(CCCC2)C[N@@H+]1CCOCCOC ZINC000071358613 176137699 /nfs/dbraw/zinc/13/76/99/176137699.db2.gz MOPGMOMUDGUQHO-HOTGVXAUSA-N 1 0 298.471 2.282 10 0 CEAERO CC(C)[C@@H]1C[NH2+]C2(CCCC2)CN1CCn1cccn1 ZINC000071358498 176137807 /nfs/dbraw/zinc/13/78/07/176137807.db2.gz VEHPGKLSKIEPRX-HNNXBMFYSA-N 1 0 276.428 2.126 10 0 CEAERO COCCOCCN1CC2(CCCC2)[NH2+]C[C@@H]1CC(C)C ZINC000071358773 176137926 /nfs/dbraw/zinc/13/79/26/176137926.db2.gz IWQJEUYUKHKPQS-INIZCTEOSA-N 1 0 298.471 2.282 10 0 CEAERO C(C1CCOCC1)[N@@H+]1CC2(CCCC2)NC[C@@H]1C1CC1 ZINC000071358727 176138043 /nfs/dbraw/zinc/13/80/43/176138043.db2.gz BWGKKDBTIHDZIU-MRXNPFEDSA-N 1 0 278.440 2.410 10 0 CEAERO CC(C)[C@H](CNCc1cnn2ccccc12)[NH+](C)C ZINC000071372739 176138213 /nfs/dbraw/zinc/13/82/13/176138213.db2.gz OLJBCSVXKPZIIM-HNNXBMFYSA-N 1 0 260.385 2.010 10 0 CEAERO CCn1c(C[NH3+])nnc1SCc1ccc(F)cc1F ZINC000071375032 176140540 /nfs/dbraw/zinc/14/05/40/176140540.db2.gz HWHILJMAFLABSP-UHFFFAOYSA-N 1 0 284.335 2.327 10 0 CEAERO CN(CC[NH2+][C@H]1CCCCC[C@@H]1O)C1CCCC1 ZINC000071377229 176141933 /nfs/dbraw/zinc/14/19/33/176141933.db2.gz ZBBDSVUXNGLWBD-GJZGRUSLSA-N 1 0 254.418 2.144 10 0 CEAERO NC(=[NH2+])c1cc2ccccc2nc1OC[C@H]1CCCO1 ZINC000071390324 176148375 /nfs/dbraw/zinc/14/83/75/176148375.db2.gz XTDXYKVQKZSBMT-LLVKDONJSA-N 1 0 271.320 2.077 10 0 CEAERO Cc1nccn1-c1nc2ccccc2cc1C(N)=[NH2+] ZINC000071390271 176148442 /nfs/dbraw/zinc/14/84/42/176148442.db2.gz FKWKYJPTEMJSHA-UHFFFAOYSA-N 1 0 251.293 2.013 10 0 CEAERO CC(C)[N@H+](C)CCCC[NH2+]Cc1ccc(C(=O)[O-])o1 ZINC000071396234 176150081 /nfs/dbraw/zinc/15/00/81/176150081.db2.gz RTAMRTWXVMLDJR-UHFFFAOYSA-N 1 0 268.357 2.188 10 0 CEAERO c1ccc2c(c1)[nH]nc2-c1nc([C@H]2CCC[NH2+]2)no1 ZINC000071396467 176150225 /nfs/dbraw/zinc/15/02/25/176150225.db2.gz CRZPUFHQIRUWOL-SNVBAGLBSA-N 1 0 255.281 2.037 10 0 CEAERO Cc1sc2ncnc(N[C@H]3CCC[NH2+]C3)c2c1C ZINC000071397725 176151456 /nfs/dbraw/zinc/15/14/56/176151456.db2.gz MCFVXDBPJSJRGE-JTQLQIEISA-N 1 0 262.382 2.472 10 0 CEAERO Cc1nnc(COc2ccc(C[NH3+])cc2C(F)(F)F)o1 ZINC000071398318 176151881 /nfs/dbraw/zinc/15/18/81/176151881.db2.gz KJRVDWXTGWHZJU-UHFFFAOYSA-N 1 0 287.241 2.435 10 0 CEAERO CCC(CC)(CO)NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000071401428 176154118 /nfs/dbraw/zinc/15/41/18/176154118.db2.gz PCGYMRIZNJPVKS-CQSZACIVSA-N 1 0 278.396 2.134 10 0 CEAERO CC[NH2+]Cc1cc(C)ccc1O[C@H](C)C(=O)OC ZINC000071403819 176155201 /nfs/dbraw/zinc/15/52/01/176155201.db2.gz IHGRPTHTPAGERA-LLVKDONJSA-N 1 0 251.326 2.045 10 0 CEAERO Cc1ccc(O[C@@H](C)C(=O)N(C)C)c(C[NH2+]C(C)C)c1 ZINC000071406618 176155859 /nfs/dbraw/zinc/15/58/59/176155859.db2.gz OMNPDEIBZNNNBQ-ZDUSSCGKSA-N 1 0 278.396 2.349 10 0 CEAERO Cc1nc(COc2ccc(C)cc2C[C@H](C)[NH3+])no1 ZINC000071411654 176157022 /nfs/dbraw/zinc/15/70/22/176157022.db2.gz ZNMVJLGRYAGIHY-JTQLQIEISA-N 1 0 261.325 2.155 10 0 CEAERO C[C@@H]1CC[NH2+]C[C@H]1N1C(=O)CC2(CCCCCC2)C1=O ZINC000071413279 176158659 /nfs/dbraw/zinc/15/86/59/176158659.db2.gz WWCLWNNKCOOCJA-CHWSQXEVSA-N 1 0 278.396 2.084 10 0 CEAERO Cc1cc(Br)cn(C2CC[NH+](C)CC2)c1=O ZINC000071517342 176194038 /nfs/dbraw/zinc/19/40/38/176194038.db2.gz VIHGKCLDJYQIRS-UHFFFAOYSA-N 1 0 285.185 2.186 10 0 CEAERO c1cc2c(cc1SC[C@H]1CCC[NH2+]1)OCCO2 ZINC000071573390 176199884 /nfs/dbraw/zinc/19/98/84/176199884.db2.gz LXFWMNBFZNJSDL-SNVBAGLBSA-N 1 0 251.351 2.302 10 0 CEAERO COc1ccc([C@@](C)(O)[C@@H]2CCC[NH2+]C2)cc1F ZINC000071574644 176201662 /nfs/dbraw/zinc/20/16/62/176201662.db2.gz BCSGWDWZDIKELU-BXUZGUMPSA-N 1 0 253.317 2.041 10 0 CEAERO CC[NH2+][C@H](C)[C@@H](O)c1ccc(OC)c(C)c1OC ZINC000071574808 176202128 /nfs/dbraw/zinc/20/21/28/176202128.db2.gz ZNYMCLBBDNSUEJ-ZWNOBZJWSA-N 1 0 253.342 2.044 10 0 CEAERO CCc1ccc(OCc2nc(CC[NH3+])cn2C)cc1 ZINC000071585618 176211448 /nfs/dbraw/zinc/21/14/48/176211448.db2.gz BGQSXVHFTQYCRU-UHFFFAOYSA-N 1 0 259.353 2.063 10 0 CEAERO CC[N@@H+]1CCC[C@@](C)(C(=O)N2CC(c3ccccn3)C2)C1 ZINC000072134383 176322165 /nfs/dbraw/zinc/32/21/65/176322165.db2.gz VCWMBGSGIWYHLE-QGZVFWFLSA-N 1 0 287.407 2.129 10 0 CEAERO CC(C)(C)OC(=O)Nc1ccc([C@H]([NH3+])CO)cc1 ZINC000072199168 176339980 /nfs/dbraw/zinc/33/99/80/176339980.db2.gz LPRVGJUEFIVJKK-LLVKDONJSA-N 1 0 252.314 2.026 10 0 CEAERO Cc1nsc(N2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000656609047 415785205 /nfs/dbraw/zinc/78/52/05/415785205.db2.gz KKIGNUGVCUTHQI-LBPRGKRZSA-N 1 0 266.414 2.063 10 0 CEAERO Cc1cc(N2CC3CC2(C[NH3+])C3)ncc1Br ZINC000656611135 415786932 /nfs/dbraw/zinc/78/69/32/415786932.db2.gz WNIJGITVSYTQDD-UHFFFAOYSA-N 1 0 282.185 2.080 10 0 CEAERO Cc1ccc(CNC(=O)CC[NH+]2CCCCC2)cc1 ZINC000074693752 176600323 /nfs/dbraw/zinc/60/03/23/176600323.db2.gz CRMXOWIHAACITM-UHFFFAOYSA-N 1 0 260.381 2.487 10 0 CEAERO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCC[C@@H](CCF)C2)C1 ZINC000662690134 415931026 /nfs/dbraw/zinc/93/10/26/415931026.db2.gz YMOPJQAGVMBWGS-RWMBFGLXSA-N 1 0 256.365 2.102 10 0 CEAERO Cn1c(C[C@H]([NH3+])c2ccccn2)nc2ccccc21 ZINC000075727798 176763629 /nfs/dbraw/zinc/76/36/29/176763629.db2.gz FGCWWPAUFPJTQE-NSHDSACASA-N 1 0 252.321 2.211 10 0 CEAERO CCN(CC)c1nc(C(F)(F)F)c(C[NH3+])s1 ZINC000075725857 176763759 /nfs/dbraw/zinc/76/37/59/176763759.db2.gz ANZMNGISZRINNE-UHFFFAOYSA-N 1 0 253.293 2.467 10 0 CEAERO C[C@H](O)CC[N@H+](C)Cc1cc(Cl)cc2c1OCOC2 ZINC000075784039 176784348 /nfs/dbraw/zinc/78/43/48/176784348.db2.gz HIENBAYQFZNVRW-JTQLQIEISA-N 1 0 285.771 2.409 10 0 CEAERO CC(C)Oc1ccc(NC(=O)C[NH2+]C2CC2)cc1F ZINC000076374301 177010197 /nfs/dbraw/zinc/01/01/97/177010197.db2.gz FSRUKIMYRYVJGU-UHFFFAOYSA-N 1 0 266.316 2.303 10 0 CEAERO CC(C)Oc1ccc(NC(=O)[C@@H](C)CC[NH3+])cc1 ZINC000076654599 177044512 /nfs/dbraw/zinc/04/45/12/177044512.db2.gz VKYHCDJDJJDWII-NSHDSACASA-N 1 0 250.342 2.397 10 0 CEAERO COc1ccccc1NC(=O)[C@@H](CC[NH3+])C(C)C ZINC000076654573 177044535 /nfs/dbraw/zinc/04/45/35/177044535.db2.gz VRUZNBBFSCDFGV-NSHDSACASA-N 1 0 250.342 2.255 10 0 CEAERO Cc1cccc(CN(CC[NH3+])Cc2cccnc2)c1 ZINC000076660935 177048556 /nfs/dbraw/zinc/04/85/56/177048556.db2.gz HKNLUPLWXANADH-UHFFFAOYSA-N 1 0 255.365 2.351 10 0 CEAERO COc1ccccc1OC[C@H](C[NH3+])c1cccn1C ZINC000076670763 177053747 /nfs/dbraw/zinc/05/37/47/177053747.db2.gz CJPZAHMKYFTGMU-LBPRGKRZSA-N 1 0 260.337 2.155 10 0 CEAERO Cc1ccc(C)c([C@@H](C[NH3+])CCC(=O)NC2CC2)c1 ZINC000076671173 177053874 /nfs/dbraw/zinc/05/38/74/177053874.db2.gz HIQVJORTCPXODA-CYBMUJFWSA-N 1 0 260.381 2.405 10 0 CEAERO CC[C@H](CCC[NH3+])C(=O)Nc1ccc2c(c1)OCO2 ZINC000076679671 177057526 /nfs/dbraw/zinc/05/75/26/177057526.db2.gz BEWVZDCBENGSSB-SNVBAGLBSA-N 1 0 264.325 2.119 10 0 CEAERO C[C@H]1COC[C@]2(CCCN(Cc3ccccc3)C2)[NH2+]1 ZINC000076698218 177061306 /nfs/dbraw/zinc/06/13/06/177061306.db2.gz IVHHEJJAJCUDFZ-GOEBONIOSA-N 1 0 260.381 2.030 10 0 CEAERO CC1(C)COC[C@]2(CC[NH2+]C2)N1Cc1ccccc1 ZINC000076698253 177061711 /nfs/dbraw/zinc/06/17/11/177061711.db2.gz APELTQMRRYUXHR-MRXNPFEDSA-N 1 0 260.381 2.030 10 0 CEAERO C[C@@H](CC[NH3+])C(=O)Nc1ccccc1Br ZINC000076710902 177067729 /nfs/dbraw/zinc/06/77/29/177067729.db2.gz WJFNPMUSFQOHAB-QMMMGPOBSA-N 1 0 271.158 2.373 10 0 CEAERO COc1cc(NC(=O)[C@@H](C)CC[NH3+])c(OC)cc1Cl ZINC000076800720 177099206 /nfs/dbraw/zinc/09/92/06/177099206.db2.gz LLMARSYIDVWBEX-QMMMGPOBSA-N 1 0 286.759 2.281 10 0 CEAERO COCCOCCCC[NH2+]Cc1c(C)nc2sccn12 ZINC000077403701 177263431 /nfs/dbraw/zinc/26/34/31/177263431.db2.gz YWLGKZDWWZGQBT-UHFFFAOYSA-N 1 0 297.424 2.237 10 0 CEAERO CCc1ccc(OC)c(NC(=O)C[NH2+]C(C)C)c1 ZINC000077432149 177268097 /nfs/dbraw/zinc/26/80/97/177268097.db2.gz SANDPMRXDGJLLJ-UHFFFAOYSA-N 1 0 250.342 2.194 10 0 CEAERO Cc1cc(C[NH2+][C@H](C)CS(C)(=O)=O)c2ccccc2n1 ZINC000078639918 177363895 /nfs/dbraw/zinc/36/38/95/177363895.db2.gz VPRQIUVNKCKEJQ-GFCCVEGCSA-N 1 0 292.404 2.066 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CCCc1ccccn1 ZINC000078677988 177369832 /nfs/dbraw/zinc/36/98/32/177369832.db2.gz OSRLALDZMFARKF-MRXNPFEDSA-N 1 0 291.439 2.497 10 0 CEAERO C[C@@H](CC[NH3+])CCC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000079117453 177435957 /nfs/dbraw/zinc/43/59/57/177435957.db2.gz OHFFFJZZOAFBBD-GFCCVEGCSA-N 1 0 291.395 2.092 10 0 CEAERO CC[C@H](CC[NH3+])CCC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000079210457 177447189 /nfs/dbraw/zinc/44/71/89/177447189.db2.gz NZMSZMCFUCKWPQ-KKUMJFAQSA-N 1 0 282.428 2.312 10 0 CEAERO CN(C(=O)[C@]1(C)CCC[NH2+]1)[C@H]1CCc2ccccc21 ZINC000079511997 177510166 /nfs/dbraw/zinc/51/01/66/177510166.db2.gz ITDOLWJSPLRHIT-HOCLYGCPSA-N 1 0 258.365 2.274 10 0 CEAERO C[C@@]1(C(=O)Nc2ccc(N3CCCC3)cc2)CCC[NH2+]1 ZINC000079515676 177512136 /nfs/dbraw/zinc/51/21/36/177512136.db2.gz WCJSZKXLMQBVOC-INIZCTEOSA-N 1 0 273.380 2.367 10 0 CEAERO CCN(Cc1ccc(OC)c(F)c1)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079516581 177512867 /nfs/dbraw/zinc/51/28/67/177512867.db2.gz VGSHNFIEISULMA-MRXNPFEDSA-N 1 0 294.370 2.325 10 0 CEAERO CCC[C@H](COC)NC(=O)CC[C@@H](CC)CC[NH3+] ZINC000079748868 177551473 /nfs/dbraw/zinc/55/14/73/177551473.db2.gz YIFZNMVOAJWWDH-CHWSQXEVSA-N 1 0 258.406 2.073 10 0 CEAERO C[C@@H]1CCC[C@@H](C)C1NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000175820447 287374867 /nfs/dbraw/zinc/37/48/67/287374867.db2.gz VFQGTBBTNGLRIB-UPJWGTAASA-N 1 0 267.417 2.157 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CCC2(CC2(F)F)CC1 ZINC000405090894 419402262 /nfs/dbraw/zinc/40/22/62/419402262.db2.gz SWFZBZVJHVQQMM-MNOVXSKESA-N 1 0 272.339 2.022 10 0 CEAERO COc1ccc(NC(=O)C[C@H]([NH3+])C(C)C)cc1OC ZINC000136296820 419444178 /nfs/dbraw/zinc/44/41/78/419444178.db2.gz LWSRGNJNGNCNIQ-NSHDSACASA-N 1 0 266.341 2.016 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)N1CCC[C@@H]1c1ccncc1 ZINC000136314362 419444796 /nfs/dbraw/zinc/44/47/96/419444796.db2.gz KWVQNXJZCHDTJJ-ZIAGYGMSSA-N 1 0 261.369 2.119 10 0 CEAERO COc1ccc([C@@H](C)NC(=O)C[C@H]([NH3+])C(C)C)cc1OC ZINC000136422312 419446418 /nfs/dbraw/zinc/44/64/18/419446418.db2.gz AGJJNPYLUWMMQG-YPMHNXCESA-N 1 0 294.395 2.254 10 0 CEAERO COc1ccc([C@@H](C)NC(=O)C[C@@H]([NH3+])C(C)C)cc1OC ZINC000136422278 419447193 /nfs/dbraw/zinc/44/71/93/419447193.db2.gz AGJJNPYLUWMMQG-DGCLKSJQSA-N 1 0 294.395 2.254 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)N(C)Cc1ccc(F)c(F)c1 ZINC000136385655 419447632 /nfs/dbraw/zinc/44/76/32/419447632.db2.gz GTNNLGNLIWWKHB-CYBMUJFWSA-N 1 0 270.323 2.297 10 0 CEAERO COc1ccc(CN(C)C(=O)C[C@H]([NH3+])C(C)C)cc1 ZINC000136373176 419448615 /nfs/dbraw/zinc/44/86/15/419448615.db2.gz LSOYLVROYWEKET-AWEZNQCLSA-N 1 0 264.369 2.027 10 0 CEAERO Cc1cccc(OCCN(C)C(=O)C[C@@H]([NH3+])C(C)C)c1 ZINC000136396557 419448741 /nfs/dbraw/zinc/44/87/41/419448741.db2.gz UQTNUVZXZRIJGY-OAHLLOKOSA-N 1 0 278.396 2.206 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C)c2c(C)n[nH]c2C)C1 ZINC000179592121 260056831 /nfs/dbraw/zinc/05/68/31/260056831.db2.gz UMVWJRBWNXEKRC-RISCZKNCSA-N 1 0 292.427 2.121 10 0 CEAERO C[C@H](CC[NH2+][C@@H](C)[C@@H]1CCCO1)NC(=O)OC(C)(C)C ZINC000390809264 262348189 /nfs/dbraw/zinc/34/81/89/262348189.db2.gz QDEHVSNKFYEAJH-AGIUHOORSA-N 1 0 286.416 2.447 10 0 CEAERO CC(C)C[NH+]1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000187667240 270255624 /nfs/dbraw/zinc/25/56/24/270255624.db2.gz HDLXDFSTBYGUFG-UHFFFAOYSA-N 1 0 284.444 2.380 10 0 CEAERO CCC[C@H](C)[NH+]1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000187683028 270255654 /nfs/dbraw/zinc/25/56/54/270255654.db2.gz JXZNEQMRVHFYQW-NWDGAFQWSA-N 1 0 266.389 2.245 10 0 CEAERO CC(C)CC1(CNC(=O)[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000392004398 265040988 /nfs/dbraw/zinc/04/09/88/265040988.db2.gz OOOAVPUAWNLNMV-OLZOCXBDSA-N 1 0 252.402 2.317 10 0 CEAERO COc1cccc2c1CCC[C@H]2[NH2+][C@H]1CCc2ncnn2C1 ZINC000194921808 270304593 /nfs/dbraw/zinc/30/45/93/270304593.db2.gz NEWRQXXGIROJJU-SWLSCSKDSA-N 1 0 298.390 2.269 10 0 CEAERO COC1CC([NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000221111363 270308532 /nfs/dbraw/zinc/30/85/32/270308532.db2.gz ZFDKCWVUUKXRRD-VOMCLLRMSA-N 1 0 272.389 2.057 10 0 CEAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCC(=O)N1CCOCC1 ZINC000225650156 270309359 /nfs/dbraw/zinc/30/93/59/270309359.db2.gz OLMBVRNLJKARAI-OAGGEKHMSA-N 1 0 296.455 2.286 10 0 CEAERO COc1cc(Br)ccc1CNC[C@H]1CC[NH2+]C1 ZINC000398396631 270358022 /nfs/dbraw/zinc/35/80/22/270358022.db2.gz LRQHXPHZSRLRTC-JTQLQIEISA-N 1 0 299.212 2.157 10 0 CEAERO O[C@@H]1CC[C@@H]2C[N@H+](Cc3ccncc3Cl)C[C@H]2C1 ZINC000398704203 270360763 /nfs/dbraw/zinc/36/07/63/270360763.db2.gz AKJTVEXCKVMJMI-RAIGVLPGSA-N 1 0 266.772 2.328 10 0 CEAERO CC[C@H](O)C[NH+]1CCN([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000177734809 273754586 /nfs/dbraw/zinc/75/45/86/273754586.db2.gz USJKTNMMVWHQOU-DOTOQJQBSA-N 1 0 292.398 2.202 10 0 CEAERO Clc1cc(Br)cnc1N[C@H]1CC[NH2+]C1 ZINC000236053508 274879973 /nfs/dbraw/zinc/87/99/73/274879973.db2.gz WDDNJDBIQIFBGB-ZETCQYMHSA-N 1 0 276.565 2.271 10 0 CEAERO Fc1cc(Cl)cnc1N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261557166 274909330 /nfs/dbraw/zinc/90/93/30/274909330.db2.gz RKHPNHYEBFIEGA-LBPRGKRZSA-N 1 0 255.724 2.064 10 0 CEAERO [NH3+][C@H]1CCCc2ccc(Br)cc2[C@H]1O ZINC000019795577 274962900 /nfs/dbraw/zinc/96/29/00/274962900.db2.gz LJJQRMGJXRGYMM-WDEREUQCSA-N 1 0 256.143 2.146 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]1)N[C@H]1CCCc2ccccc21 ZINC000042166312 274976671 /nfs/dbraw/zinc/97/66/71/274976671.db2.gz WYNCGNOKVQEUNZ-ZFWWWQNUSA-N 1 0 258.365 2.322 10 0 CEAERO Brc1cnccc1N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261571727 275377764 /nfs/dbraw/zinc/37/77/64/275377764.db2.gz HTYXWFZKLWKKQY-LBPRGKRZSA-N 1 0 282.185 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HICRHRAVNBNMFR-JTQLQIEISA-N 1 0 270.174 2.316 10 0 CEAERO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)O1 ZINC000248122543 280342314 /nfs/dbraw/zinc/34/23/14/280342314.db2.gz UOWXUKLHDTYIQL-MIGQKNRLSA-N 1 0 288.391 2.116 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)/C=C/c2ccc(O)cc2)C1 ZINC000248387240 280345297 /nfs/dbraw/zinc/34/52/97/280345297.db2.gz APYJNDKHOLCJRL-OKZVOGLASA-N 1 0 288.391 2.250 10 0 CEAERO Cc1cc(C(=O)N[C@H]2CCCC[C@@H]2[NH3+])sc1C ZINC000087568206 280359207 /nfs/dbraw/zinc/35/92/07/280359207.db2.gz LCLNGIHQBSZCOE-QWRGUYRKSA-N 1 0 252.383 2.365 10 0 CEAERO Cc1cnn([C@H]2CCC[N@H+](CC[C@H]3CCCO3)C2)c1 ZINC000248960334 280375733 /nfs/dbraw/zinc/37/57/33/280375733.db2.gz GIUJIKJHIBIOGY-LSDHHAIUSA-N 1 0 263.385 2.398 10 0 CEAERO CC[C@H]1CN(Cc2nccn2C(C)C)CC[N@@H+]1CCOC ZINC000105837381 281171708 /nfs/dbraw/zinc/17/17/08/281171708.db2.gz NCVGZGIETXXBMN-HNNXBMFYSA-N 1 0 294.443 2.007 10 0 CEAERO CC[C@](C)(O)C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000253211219 281291011 /nfs/dbraw/zinc/29/10/11/281291011.db2.gz BISLBKIWGOXNIZ-TUVASFSCSA-N 1 0 255.402 2.163 10 0 CEAERO Cc1cccc2ncnc(N3CC[N@@H+]4CCC[C@@H]4C3)c12 ZINC000176803520 281323935 /nfs/dbraw/zinc/32/39/35/281323935.db2.gz MPVWDACJMIEXBL-CYBMUJFWSA-N 1 0 268.364 2.223 10 0 CEAERO Cc1cnc(NC(=O)C[C@@H]([NH3+])c2ccccc2)s1 ZINC000019518412 281617362 /nfs/dbraw/zinc/61/73/62/281617362.db2.gz UMSYEYIAXTUZNU-LLVKDONJSA-N 1 0 261.350 2.480 10 0 CEAERO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000250101227 292666836 /nfs/dbraw/zinc/66/68/36/292666836.db2.gz RKWSBQWWAWPLHY-TUUVXOQKSA-N 1 0 272.392 2.213 10 0 CEAERO C[C@@H]1C[C@H]([NH2+]CC(=O)NCC(F)F)CC(C)(C)C1 ZINC000360766401 288758360 /nfs/dbraw/zinc/75/83/60/288758360.db2.gz RWGQITBADZAZKR-ZJUUUORDSA-N 1 0 262.344 2.172 10 0 CEAERO CCCOc1ccc(CNC(=O)[C@H](CCC)[NH+](C)C)cn1 ZINC000153644752 289118132 /nfs/dbraw/zinc/11/81/32/289118132.db2.gz JRXDWIYSAFGJNN-AWEZNQCLSA-N 1 0 293.411 2.217 10 0 CEAERO OC1(C[NH2+][C@H]2CCc3cc(Cl)ccc32)CCOCC1 ZINC000156230637 289192223 /nfs/dbraw/zinc/19/22/23/289192223.db2.gz UOOCEGAMCUQWHZ-AWEZNQCLSA-N 1 0 281.783 2.458 10 0 CEAERO CCC[C@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccccn1 ZINC000158557574 289236490 /nfs/dbraw/zinc/23/64/90/289236490.db2.gz GYDDRFSCYJGEHL-GJZGRUSLSA-N 1 0 277.412 2.233 10 0 CEAERO C[C@H](C(=O)NCC12CC3CC(CC(C3)C1)C2)C1C[NH2+]C1 ZINC000164414886 289351213 /nfs/dbraw/zinc/35/12/13/289351213.db2.gz RQJLZIIBBYCJIE-GVMDUPDNSA-N 1 0 276.424 2.175 10 0 CEAERO C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CCCCCC2)C1 ZINC000092325517 289387796 /nfs/dbraw/zinc/38/77/96/289387796.db2.gz FXHAZURZFVERRA-OLZOCXBDSA-N 1 0 253.390 2.055 10 0 CEAERO CCC[N@@H+]1CC[C@@H](CNc2nccnc2C(C)C)C1 ZINC000472343692 290295251 /nfs/dbraw/zinc/29/52/51/290295251.db2.gz SIRAEGVZDNDFJH-ZDUSSCGKSA-N 1 0 262.401 2.166 10 0 CEAERO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccccc1N(C)C)CC2 ZINC000093944305 293543375 /nfs/dbraw/zinc/54/33/75/293543375.db2.gz JIWIPYBTWQMCHM-OCCSQVGLSA-N 1 0 299.422 2.318 10 0 CEAERO [NH3+]C[C@H]1CCCCN1c1ccc(OC(F)F)cn1 ZINC000262297530 295266133 /nfs/dbraw/zinc/26/61/33/295266133.db2.gz WYWPJQOHHGIDSK-SECBINFHSA-N 1 0 257.284 2.001 10 0 CEAERO CCCCOC[C@H](O)C[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000516862246 297605726 /nfs/dbraw/zinc/60/57/26/297605726.db2.gz RAXYJTBMQJVATB-RRFJBIMHSA-N 1 0 287.444 2.347 10 0 CEAERO COc1ccc(Br)cc1N1CC[C@H](C[NH3+])C1 ZINC000049568714 523501543 /nfs/dbraw/zinc/50/15/43/523501543.db2.gz YBPNVONSCNHNDK-SECBINFHSA-N 1 0 285.185 2.243 10 0 CEAERO Cc1c(Br)cccc1CN[C@H]1CC[NH2+]C1 ZINC000564987702 298866718 /nfs/dbraw/zinc/86/67/18/298866718.db2.gz FZKXBHVSKLJKML-NSHDSACASA-N 1 0 269.186 2.209 10 0 CEAERO CC(C)[C@H](C)NC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000175534940 528967901 /nfs/dbraw/zinc/96/79/01/528967901.db2.gz KNGZWTUVMLMTNP-AVGNSLFASA-N 1 0 255.406 2.203 10 0 CEAERO [NH3+][C@H]1CCC[C@@H](C(=O)NC2C3CC4CC(C3)CC2C4)C1 ZINC000070575128 303484140 /nfs/dbraw/zinc/48/41/40/303484140.db2.gz GIKRRVABHOOMDS-PGOZJSOXSA-N 1 0 276.424 2.445 10 0 CEAERO [NH3+][C@H]1CCC[C@H](C(=O)NC2(c3ccccc3F)CC2)C1 ZINC000238038516 303485439 /nfs/dbraw/zinc/48/54/39/303485439.db2.gz RWXUCZGGCJFNJE-RYUDHWBXSA-N 1 0 276.355 2.449 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2SCCc3ccccc32)C1 ZINC000173763169 312682962 /nfs/dbraw/zinc/68/29/62/312682962.db2.gz OCGOIAXZTVOWNA-UKRRQHHQSA-N 1 0 290.432 2.180 10 0 CEAERO OCC[C@H]1CC[N@H+](Cc2cccnc2C(F)(F)F)C1 ZINC000528392895 313250055 /nfs/dbraw/zinc/25/00/55/313250055.db2.gz UMPNQFIIGGCWII-SNVBAGLBSA-N 1 0 274.286 2.305 10 0 CEAERO Cc1ccc2c(CC(=O)N3C[C@@H](C)[C@H]([NH3+])C3)coc2c1 ZINC000572028197 314117174 /nfs/dbraw/zinc/11/71/74/314117174.db2.gz HMDTXXYLCWAMOL-BXUZGUMPSA-N 1 0 272.348 2.089 10 0 CEAERO [NH3+]CC[C@H](Nc1cc(C(F)(F)F)ccn1)C(F)F ZINC000383374415 321847490 /nfs/dbraw/zinc/84/74/90/321847490.db2.gz KKHGPNRBUSNEOK-ZETCQYMHSA-N 1 0 269.217 2.495 10 0 CEAERO Cc1cnc(NC[C@@H]2[NH2+]CCc3ccccc32)nc1C ZINC000386694994 321873064 /nfs/dbraw/zinc/87/30/64/321873064.db2.gz SMOARQMXVCDMQN-HNNXBMFYSA-N 1 0 268.364 2.392 10 0 CEAERO FC(F)(F)c1ccnc(N2CC[C@]3(C2)CCC[NH2+]C3)n1 ZINC000583015060 322519189 /nfs/dbraw/zinc/51/91/89/322519189.db2.gz LIPYZNXEIBGRDB-GFCCVEGCSA-N 1 0 286.301 2.075 10 0 CEAERO CC(C)(C)[C@@H](C[NH3+])Sc1nnc2ccccn21 ZINC000061406063 518918681 /nfs/dbraw/zinc/91/86/81/518918681.db2.gz XNFZXHLYBRGLKE-SECBINFHSA-N 1 0 250.371 2.195 10 0 CEAERO CC(C)N(C)C(=O)COc1cc(F)ccc1[C@@H](C)[NH3+] ZINC000062745972 519589787 /nfs/dbraw/zinc/58/97/87/519589787.db2.gz REWMMTRQCGRTGO-SNVBAGLBSA-N 1 0 268.332 2.091 10 0 CEAERO CC(C)CCOCCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052624631 519669287 /nfs/dbraw/zinc/66/92/87/519669287.db2.gz DZTXGQNFDSJJCD-UHFFFAOYSA-N 1 0 268.405 2.229 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N1CCC[C@@H]1c1cc(C)no1 ZINC000061296111 519903993 /nfs/dbraw/zinc/90/39/93/519903993.db2.gz PHWKJVCZANULBA-LLVKDONJSA-N 1 0 265.357 2.035 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)NCCCN(C)c1ccccc1 ZINC000061286915 519904848 /nfs/dbraw/zinc/90/48/48/519904848.db2.gz OAWWEOQSXQKWBR-UHFFFAOYSA-N 1 0 277.412 2.017 10 0 CEAERO CCC[NH2+]Cc1cc(C)c(OC[C@H](O)COC)c(C)c1 ZINC000069053404 519944438 /nfs/dbraw/zinc/94/44/38/519944438.db2.gz ORXYHGHBNPMGKZ-OAHLLOKOSA-N 1 0 281.396 2.189 10 0 CEAERO CCC[NH2+]Cc1cc(Cl)ccc1O[C@H](CC)C(N)=O ZINC000061675739 519946699 /nfs/dbraw/zinc/94/66/99/519946699.db2.gz AWAOSCSWWBQHPX-GFCCVEGCSA-N 1 0 284.787 2.482 10 0 CEAERO CC[NH2+]C[C@@H]1CC[C@H](COc2ccccc2OC)O1 ZINC000052675330 519955702 /nfs/dbraw/zinc/95/57/02/519955702.db2.gz WFIOUPTUQUOOTJ-QWHCGFSZSA-N 1 0 265.353 2.231 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N[C@@H](C)Cc1ccccc1C ZINC000061234729 519962691 /nfs/dbraw/zinc/96/26/91/519962691.db2.gz AEFSTIUISDQPGA-KBPBESRZSA-N 1 0 262.397 2.288 10 0 CEAERO CCC[NH2+]Cc1cnc(N2CCC(OC)CC2)s1 ZINC000054903165 519961204 /nfs/dbraw/zinc/96/12/04/519961204.db2.gz KIGVYMRWWAILQH-UHFFFAOYSA-N 1 0 269.414 2.258 10 0 CEAERO CC[NH2+]C[C@H](CC1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000052950647 519971347 /nfs/dbraw/zinc/97/13/47/519971347.db2.gz UTPZZVZWIZJWST-KGLIPLIRSA-N 1 0 273.442 2.227 10 0 CEAERO CCCN[C@@H](CC[N@H+](CC(C)C)C1CC1)C(=O)OCC ZINC000062461103 519994835 /nfs/dbraw/zinc/99/48/35/519994835.db2.gz WZIYIPQESYPWBY-HNNXBMFYSA-N 1 0 284.444 2.428 10 0 CEAERO CCC[NH2+][C@@H](CCSc1cc(F)ccc1F)C(N)=O ZINC000062600620 520006645 /nfs/dbraw/zinc/00/66/45/520006645.db2.gz XEEAPCIJXMTMDE-NSHDSACASA-N 1 0 288.363 2.301 10 0 CEAERO CCC[NH2+][C@@H]1CCN(Cc2cnc(C)cn2)[C@H](C)C1 ZINC000061321521 520022822 /nfs/dbraw/zinc/02/28/22/520022822.db2.gz RZFSEUBIYDKFNX-ZIAGYGMSSA-N 1 0 262.401 2.138 10 0 CEAERO CC[NH2+]Cc1sc(N(CC)CCOC)nc1CC ZINC000055000760 520033532 /nfs/dbraw/zinc/03/35/32/520033532.db2.gz SOTUCZMVBXOHPL-UHFFFAOYSA-N 1 0 271.430 2.288 10 0 CEAERO CCCN[C@@](C[N@H+](CC1CC1)C(C)C)(C(=O)OC)C1CC1 ZINC000069183549 520052778 /nfs/dbraw/zinc/05/27/78/520052778.db2.gz KXSOLESLNJSCQQ-QGZVFWFLSA-N 1 0 296.455 2.428 10 0 CEAERO CCC[NH2+][C@H](C)C[C@H](C)N1CCN(CC(F)(F)F)CC1 ZINC000068654906 520063256 /nfs/dbraw/zinc/06/32/56/520063256.db2.gz FKNBDVLFQLEQMA-OLZOCXBDSA-N 1 0 295.393 2.333 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000061273562 520064812 /nfs/dbraw/zinc/06/48/12/520064812.db2.gz PBSDHUNZASGRCI-QWRGUYRKSA-N 1 0 252.333 2.391 10 0 CEAERO CCCCCCOC[C@H](O)C[NH2+]C1(CO)CCCCC1 ZINC000053097040 520100426 /nfs/dbraw/zinc/10/04/26/520100426.db2.gz DHFHBSPMHDPFSU-OAHLLOKOSA-N 1 0 287.444 2.229 10 0 CEAERO CCCN[C@](C[N@H+](C)C(C)C)(C(=O)OCC)C1CC1 ZINC000069095388 520116643 /nfs/dbraw/zinc/11/66/43/520116643.db2.gz MLSIJKCVLRDLDK-HNNXBMFYSA-N 1 0 270.417 2.038 10 0 CEAERO CC[NH2+][C@@](C)(C[C@@H](C)Oc1ccccc1CC)C(N)=O ZINC000068657444 520142027 /nfs/dbraw/zinc/14/20/27/520142027.db2.gz UYTWDOWKSQYSEL-WBMJQRKESA-N 1 0 278.396 2.260 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N(C)CCOc1ccc(C)cc1 ZINC000061271877 520162157 /nfs/dbraw/zinc/16/21/57/520162157.db2.gz JDVONJVSYFGCBN-CQSZACIVSA-N 1 0 278.396 2.220 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1C(=O)OC ZINC000061270348 520168833 /nfs/dbraw/zinc/16/88/33/520168833.db2.gz MBSVMVMMSLCFNE-SECBINFHSA-N 1 0 298.770 2.453 10 0 CEAERO CC[NH2+][C@H](C)[C@@H](C)Oc1cc(OC)cc(OC)c1 ZINC000068967191 520176383 /nfs/dbraw/zinc/17/63/83/520176383.db2.gz JHIPDMSNLJVKNT-GHMZBOCLSA-N 1 0 253.342 2.469 10 0 CEAERO CC[NH2+][C@H](C)c1c(C)nn(C[C@H]2CCCO2)c1C ZINC000054718095 520176399 /nfs/dbraw/zinc/17/63/99/520176399.db2.gz QESBIIFFJPSWPP-ZWNOBZJWSA-N 1 0 251.374 2.349 10 0 CEAERO CC[NH2+][C@H](C)c1cnc(N2CCC(OC)CC2)s1 ZINC000054903190 520182065 /nfs/dbraw/zinc/18/20/65/520182065.db2.gz ZDJXDVKNEDZNJM-SNVBAGLBSA-N 1 0 269.414 2.429 10 0 CEAERO CCCNc1ncccc1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000052709491 520195782 /nfs/dbraw/zinc/19/57/82/520195782.db2.gz DXACIGVUHWWKMO-CYBMUJFWSA-N 1 0 263.385 2.108 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2C[C@H]1CCCS(C)(=O)=O ZINC000063015822 520222694 /nfs/dbraw/zinc/22/26/94/520222694.db2.gz FLXMDGMWSTTXEJ-UKRRQHHQSA-N 1 0 281.421 2.334 10 0 CEAERO CC[NH2+][C@](C)(C[C@@H](C)Oc1ccc(C)cc1C)C(N)=O ZINC000068655180 520235805 /nfs/dbraw/zinc/23/58/05/520235805.db2.gz VEPYQGVYFREOEV-CZUORRHYSA-N 1 0 278.396 2.314 10 0 CEAERO CCCOc1nc(Cl)nc(NCC[N@H+](C)C(C)C)n1 ZINC000061542640 520494279 /nfs/dbraw/zinc/49/42/79/520494279.db2.gz ZKEFDWCWYBILFE-UHFFFAOYSA-N 1 0 287.795 2.066 10 0 CEAERO CCC(C)(C)N(C)c1nc2ccccn2c1CC[NH3+] ZINC000069449156 521311520 /nfs/dbraw/zinc/31/15/20/521311520.db2.gz BLCGUNKDFBZGHE-UHFFFAOYSA-N 1 0 260.385 2.460 10 0 CEAERO CCCc1nc(N2CCC[C@@H]2C[NH+](C)C)sc1C=O ZINC000061655552 521532604 /nfs/dbraw/zinc/53/26/04/521532604.db2.gz QNSYXTKDZMKSEB-LLVKDONJSA-N 1 0 281.425 2.439 10 0 CEAERO CC[C@@H](C)CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C)cc1 ZINC000054489119 521997869 /nfs/dbraw/zinc/99/78/69/521997869.db2.gz YGKOTQFTFRLBFH-VXGBXAGGSA-N 1 0 284.425 2.291 10 0 CEAERO C[NH2+]C[C@H]1OCCN(C2CC2)[C@@H]1c1ccc(C)cc1 ZINC000070289292 522097567 /nfs/dbraw/zinc/09/75/67/522097567.db2.gz VKTJRXGPXSYRFD-HZPDHXFCSA-N 1 0 260.381 2.119 10 0 CEAERO C[NH2+]Cc1cc(CN2C[C@@H](C)OC(C)(C)C2)c(C)o1 ZINC000052543612 522108788 /nfs/dbraw/zinc/10/87/88/522108788.db2.gz WXMJDYOCBTZEFD-LLVKDONJSA-N 1 0 266.385 2.307 10 0 CEAERO C[NH2+]Cc1nc(OCC2CCOCC2)ccc1Cl ZINC000052170826 522154953 /nfs/dbraw/zinc/15/49/53/522154953.db2.gz GMDHAWRQXIWSPK-UHFFFAOYSA-N 1 0 270.760 2.260 10 0 CEAERO CC[C@H](C[NH2+]C(C)C)Oc1cccc(S(C)(=O)=O)c1 ZINC000052701437 522192299 /nfs/dbraw/zinc/19/22/99/522192299.db2.gz JCADCDSEZFXBLU-GFCCVEGCSA-N 1 0 285.409 2.246 10 0 CEAERO C[NH2+][C@@H](C)c1nnc(-c2ccc(OC)c(F)c2)o1 ZINC000061669701 522339540 /nfs/dbraw/zinc/33/95/40/522339540.db2.gz FCGQIOAGWOISBX-ZETCQYMHSA-N 1 0 251.261 2.165 10 0 CEAERO C[NH2+][C@H](Cc1cnn(C)c1)c1cc(F)cc(F)c1 ZINC000050543156 522475117 /nfs/dbraw/zinc/47/51/17/522475117.db2.gz CVUCDYSZERDYKC-CYBMUJFWSA-N 1 0 251.280 2.202 10 0 CEAERO C[NH2+][C@H]1COc2cc(OCCOC(C)C)ccc21 ZINC000062804131 522506687 /nfs/dbraw/zinc/50/66/87/522506687.db2.gz ORPDSCZNQSVCMY-ZDUSSCGKSA-N 1 0 251.326 2.143 10 0 CEAERO C[C@@H](OCc1ccccc1)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000404490428 533910847 /nfs/dbraw/zinc/91/08/47/533910847.db2.gz AKWUWUNHWMFSGX-CJNGLKHVSA-N 1 0 290.407 2.225 10 0 CEAERO CC(C)c1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2CN(C)C)cc1 ZINC000097264520 517485768 /nfs/dbraw/zinc/48/57/68/517485768.db2.gz BLJOHFAMQMRDDJ-SJORKVTESA-N 1 0 276.424 2.307 10 0 CEAERO Brc1cccnc1NC[C@@H]1CCC[NH2+]1 ZINC000053254962 518225743 /nfs/dbraw/zinc/22/57/43/518225743.db2.gz PQDJBCJSUHNQTG-QMMMGPOBSA-N 1 0 256.147 2.008 10 0 CEAERO C(=C/c1ccccc1)\COCC[NH2+]C1CCOCC1 ZINC000062768038 518372266 /nfs/dbraw/zinc/37/22/66/518372266.db2.gz JMCXXHTXFYOEDD-QPJJXVBHSA-N 1 0 261.365 2.485 10 0 CEAERO C/C=C/COc1cc(OC)ccc1C[NH2+]CCOC ZINC000062733306 518517585 /nfs/dbraw/zinc/51/75/85/518517585.db2.gz CMJQTAXSJKGIQA-SNAWJCMRSA-N 1 0 265.353 2.386 10 0 CEAERO CC(C)(C)C[NH+]1CCN(C(=O)C[C@@H]2CCCCO2)CC1 ZINC000062456124 518662269 /nfs/dbraw/zinc/66/22/69/518662269.db2.gz ISJIOPFYBZXFLI-AWEZNQCLSA-N 1 0 282.428 2.136 10 0 CEAERO CC(C)(C)[NH2+]Cc1cc(F)ccc1N1CCNC(=O)CC1 ZINC000062738451 518763560 /nfs/dbraw/zinc/76/35/60/518763560.db2.gz AANUDPRILPWZMP-UHFFFAOYSA-N 1 0 293.386 2.040 10 0 CEAERO CC(C)C[C@H](CN(C)C)[N@H+]1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000054626716 519336283 /nfs/dbraw/zinc/33/62/83/519336283.db2.gz GRKZSQGDGXOWHD-HZSPNIEDSA-N 1 0 252.402 2.159 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)Nc1ncnc(Cl)c1N ZINC000062363587 519345360 /nfs/dbraw/zinc/34/53/60/519345360.db2.gz QORJOVQCNTYROY-SECBINFHSA-N 1 0 271.796 2.100 10 0 CEAERO CC(C)(c1noc([C@@H]2CC[NH2+]C2)n1)c1ccccc1 ZINC000062772761 519385022 /nfs/dbraw/zinc/38/50/22/519385022.db2.gz BLXHRNUALXRKHM-LLVKDONJSA-N 1 0 257.337 2.472 10 0 CEAERO CC(C)N(CC[NH2+]C[C@H]1CCCO1)CC(F)(F)F ZINC000053389874 519647871 /nfs/dbraw/zinc/64/78/71/519647871.db2.gz RVTISZAWPATAOZ-LLVKDONJSA-N 1 0 268.323 2.028 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)CCc2ccoc2)[C@@H](C)C1 ZINC000155497210 519696237 /nfs/dbraw/zinc/69/62/37/519696237.db2.gz IJVXVUHOWPLVRI-JSGCOSHPSA-N 1 0 264.369 2.057 10 0 CEAERO CC(C)C[N@@H+](CCc1ccccc1N)CCN(C)C ZINC000052918668 519717356 /nfs/dbraw/zinc/71/73/56/519717356.db2.gz SBYFOWISPLTHJE-UHFFFAOYSA-N 1 0 263.429 2.331 10 0 CEAERO CC(C)[NH2+]C[C@@H]1CCCN(c2ncccc2F)C1 ZINC000054701310 519723497 /nfs/dbraw/zinc/72/34/97/519723497.db2.gz ZQNBLBOIUNXDDE-LBPRGKRZSA-N 1 0 251.349 2.435 10 0 CEAERO CC(C)C[NH+]1CCN(CC(=O)c2cccc(F)c2)CC1 ZINC000055080105 519725466 /nfs/dbraw/zinc/72/54/66/519725466.db2.gz DRSIBDYRFYEHBS-UHFFFAOYSA-N 1 0 278.371 2.282 10 0 CEAERO CC(C)[NH2+]C[C@H]1CC[C@@H](COCC(F)(F)F)O1 ZINC000052601652 519725590 /nfs/dbraw/zinc/72/55/90/519725590.db2.gz FZZHEDKTJFIWHJ-ZJUUUORDSA-N 1 0 255.280 2.111 10 0 CEAERO CC(C)[NH2+]C[C@](C)(CN1CCC(O)CC1)c1ccccc1 ZINC000051207289 519726380 /nfs/dbraw/zinc/72/63/80/519726380.db2.gz PHFLSKYGAGZYHU-GOSISDBHSA-N 1 0 290.451 2.399 10 0 CEAERO CC(C)C[NH+]1CCN([C@@H]2CCCCCC2=O)CC1 ZINC000055077639 519727421 /nfs/dbraw/zinc/72/74/21/519727421.db2.gz IDGGLFCQESNNFF-CQSZACIVSA-N 1 0 252.402 2.162 10 0 CEAERO CC(C)[NH2+]Cc1nnnn1C1CCCCCCC1 ZINC000054745354 519729726 /nfs/dbraw/zinc/72/97/26/519729726.db2.gz KTYVBDHWORPMDW-UHFFFAOYSA-N 1 0 251.378 2.457 10 0 CEAERO CC(C)[NH2+]Cc1occc1CN1CCOC(C)(C)C1 ZINC000052481808 519730056 /nfs/dbraw/zinc/73/00/56/519730056.db2.gz WQWMNWOOSMNMHQ-UHFFFAOYSA-N 1 0 266.385 2.388 10 0 CEAERO CC(C)[NH2+][C@@H](CCOc1cccc2ccccc21)C(N)=O ZINC000062550545 519734759 /nfs/dbraw/zinc/73/47/59/519734759.db2.gz JVEZXOGDMQTBRV-HNNXBMFYSA-N 1 0 286.375 2.461 10 0 CEAERO CC(C)[NH2+][C@@](C)(C[C@@H](C)N1Cc2ccccc2C1)C(N)=O ZINC000068642040 519736333 /nfs/dbraw/zinc/73/63/33/519736333.db2.gz ZXDLVYPYZBDFBZ-DYVFJYSZSA-N 1 0 289.423 2.023 10 0 CEAERO CC(C)N[C@@](C[N@H+](C)[C@@H]1CCCC[C@@H]1C)(C(N)=O)C1CC1 ZINC000069132442 519737194 /nfs/dbraw/zinc/73/71/94/519737194.db2.gz YQHMCMSKRROTCD-YSVLISHTSA-N 1 0 295.471 2.129 10 0 CEAERO CC(C)[NH2+][C@@](COC1CCC(C)CC1)(C(N)=O)C1CC1 ZINC000069196268 519737697 /nfs/dbraw/zinc/73/76/97/519737697.db2.gz IUOZERNFYWKXEB-LDZOIKDWSA-N 1 0 282.428 2.214 10 0 CEAERO CC(C)N[C@](C)(C[C@H](C)[NH+](CC1CC1)CC1CC1)C(N)=O ZINC000068648013 519740370 /nfs/dbraw/zinc/74/03/70/519740370.db2.gz DFUMHUYGNMPDJP-SUMWQHHRSA-N 1 0 295.471 2.129 10 0 CEAERO CC(C)[NH2+][C@](COC1CCC(C)CC1)(C(N)=O)C1CC1 ZINC000069196269 519740667 /nfs/dbraw/zinc/74/06/67/519740667.db2.gz IUOZERNFYWKXEB-PXCJXSSVSA-N 1 0 282.428 2.214 10 0 CEAERO CC(C)C[NH2+]CC[C@@H](O)c1ccc2c(c1)OCO2 ZINC000049838741 519744132 /nfs/dbraw/zinc/74/41/32/519744132.db2.gz VBFUCYWQPORAKX-GFCCVEGCSA-N 1 0 251.326 2.084 10 0 CEAERO CC(C)C[NH2+]C[C@@H]1CC[C@@H](CN(C)Cc2cscn2)O1 ZINC000052503893 519744761 /nfs/dbraw/zinc/74/47/61/519744761.db2.gz LCKSZKDQSZKHIM-GJZGRUSLSA-N 1 0 297.468 2.368 10 0 CEAERO CC(C)C[NH2+]Cc1cc(F)c(-n2cncn2)c(F)c1 ZINC000062738520 519746612 /nfs/dbraw/zinc/74/66/12/519746612.db2.gz UFVWRAYBXJSSBR-UHFFFAOYSA-N 1 0 266.295 2.291 10 0 CEAERO CC(C)C[NH2+]Cc1cccc(OCc2ncon2)c1 ZINC000062731515 519747689 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CCCC1CCN(C(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000054292767 519900019 /nfs/dbraw/zinc/90/00/19/519900019.db2.gz VVIDPPXVAWPBII-AWEZNQCLSA-N 1 0 252.402 2.415 10 0 CEAERO CCCC1CCN([C@@H](c2cnn(C)c2)[C@H](C)[NH3+])CC1 ZINC000050892926 519903424 /nfs/dbraw/zinc/90/34/24/519903424.db2.gz GLYNIGYNFLMTLH-SWLSCSKDSA-N 1 0 264.417 2.321 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)NCc1ccccc1COCC ZINC000061293409 519905751 /nfs/dbraw/zinc/90/57/51/519905751.db2.gz OUWIQTZEDVWLCO-UHFFFAOYSA-N 1 0 278.396 2.227 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N[C@H](C)COc1ccc(C)cc1 ZINC000061298175 519906259 /nfs/dbraw/zinc/90/62/59/519906259.db2.gz WLSIGDPQCLQEPG-CYBMUJFWSA-N 1 0 278.396 2.267 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1cc2c(cc1Cl)NC(=O)C2 ZINC000061291367 519906505 /nfs/dbraw/zinc/90/65/05/519906505.db2.gz HQOXCKBHIYIVKY-UHFFFAOYSA-N 1 0 295.770 2.161 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1ccc(OC)cc1C ZINC000061568089 519907705 /nfs/dbraw/zinc/90/77/05/519907705.db2.gz FXKFEBJYTIMOQL-UHFFFAOYSA-N 1 0 250.342 2.330 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1ccccc1-n1cccn1 ZINC000061291660 519908093 /nfs/dbraw/zinc/90/80/93/519908093.db2.gz KYXJVZMLOMDJLO-UHFFFAOYSA-N 1 0 272.352 2.199 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1ccccc1[C@H](C)O ZINC000061299082 519908190 /nfs/dbraw/zinc/90/81/90/519908190.db2.gz CYAHMQKYCCJJBS-JTQLQIEISA-N 1 0 250.342 2.067 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1cccnc1N1CCCC1 ZINC000061290566 519908245 /nfs/dbraw/zinc/90/82/45/519908245.db2.gz KSRJHKLLOFUPLR-UHFFFAOYSA-N 1 0 276.384 2.008 10 0 CEAERO CCOCCN(CC)c1cc(C(N)=[NH2+])c2ccccc2n1 ZINC000068798065 519911172 /nfs/dbraw/zinc/91/11/72/519911172.db2.gz GXCHDYNGLZJWPB-UHFFFAOYSA-N 1 0 286.379 2.382 10 0 CEAERO CC[NH2+]CC1(CN2CCc3ccccc32)CCOCC1 ZINC000052180532 519913725 /nfs/dbraw/zinc/91/37/25/519913725.db2.gz ZYPYMLALWDEAKH-UHFFFAOYSA-N 1 0 274.408 2.455 10 0 CEAERO CCN(C(=O)CN1[C@H](C)CCC[C@@H]1C[NH3+])C1=CCCC1 ZINC000070154641 519914980 /nfs/dbraw/zinc/91/49/80/519914980.db2.gz IQCNXWKIRXLWDB-UKRRQHHQSA-N 1 0 279.428 2.104 10 0 CEAERO CC(C)n1c(S[C@H](c2cccs2)[C@@H](C)[NH3+])n[nH]c1=O ZINC000061595134 519923982 /nfs/dbraw/zinc/92/39/82/519923982.db2.gz LKXDOWGAXBNKRZ-SCZZXKLOSA-N 1 0 298.437 2.394 10 0 CEAERO CC[NH2+]CCc1nnc(-c2cc3c(s2)CCC3)o1 ZINC000050619735 519929402 /nfs/dbraw/zinc/92/94/02/519929402.db2.gz DWKUHEFMXQSMNF-UHFFFAOYSA-N 1 0 263.366 2.439 10 0 CEAERO CC[NH2+]CCc1nnc(COc2cccc(Cl)c2)o1 ZINC000051018880 519930214 /nfs/dbraw/zinc/93/02/14/519930214.db2.gz MUSWLJAQKHTDOP-UHFFFAOYSA-N 1 0 281.743 2.454 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N(Cc1cccnc1)C(C)C ZINC000061265829 519932627 /nfs/dbraw/zinc/93/26/27/519932627.db2.gz OVANCXDADPSJLU-CYBMUJFWSA-N 1 0 263.385 2.064 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N(CC)c1ccc(F)cc1 ZINC000061268135 519933148 /nfs/dbraw/zinc/93/31/48/519933148.db2.gz QXQNULCEDPSVIA-LLVKDONJSA-N 1 0 252.333 2.424 10 0 CEAERO CCC[NH2+]C[C@H](OCCOC)c1ccccc1OC ZINC000050496040 519934759 /nfs/dbraw/zinc/93/47/59/519934759.db2.gz DBEPULTUXRDGKD-HNNXBMFYSA-N 1 0 267.369 2.399 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N1CCCc2cccc(OC)c21 ZINC000061266138 519934735 /nfs/dbraw/zinc/93/47/35/519934735.db2.gz GZBZRSJTXWAGNA-GFCCVEGCSA-N 1 0 276.380 2.220 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000061233723 519934783 /nfs/dbraw/zinc/93/47/83/519934783.db2.gz NRWGDSMNEFQCPN-KPPDAEKUSA-N 1 0 280.334 2.469 10 0 CEAERO CCC[NH2+]C[C@H]1CC[C@H](Cn2nc(C)c(C)c2C)O1 ZINC000052591622 519939819 /nfs/dbraw/zinc/93/98/19/519939819.db2.gz FRXLBEFEMBMSID-HUUCEWRRSA-N 1 0 265.401 2.356 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000061232921 519943280 /nfs/dbraw/zinc/94/32/80/519943280.db2.gz MOUQVJGBDIOSSC-GFCCVEGCSA-N 1 0 284.363 2.328 10 0 CEAERO CC[NH2+]C[C@@H](CCS(C)(=O)=O)Cc1cccc(C)c1 ZINC000052976511 519945826 /nfs/dbraw/zinc/94/58/26/519945826.db2.gz LHARDEYHGCUQGX-HNNXBMFYSA-N 1 0 283.437 2.198 10 0 CEAERO CCC[NH2+]Cc1cccnc1N1C[C@H](C)OC[C@@H]1C ZINC000051444230 519956822 /nfs/dbraw/zinc/95/68/22/519956822.db2.gz QAACRHUMESTXBW-STQMWFEESA-N 1 0 263.385 2.195 10 0 CEAERO CCC[NH2+]Cc1ccnc(N(C)[C@@H](C)COC)c1 ZINC000051482729 519958274 /nfs/dbraw/zinc/95/82/74/519958274.db2.gz WVYZMPGJFFKTRR-LBPRGKRZSA-N 1 0 251.374 2.052 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N[C@@H]1CCCc2occc21 ZINC000061267243 519964604 /nfs/dbraw/zinc/96/46/04/519964604.db2.gz MMUFZJTWSSBABY-CMPLNLGQSA-N 1 0 250.342 2.019 10 0 CEAERO CCC[NH2+]Cc1cnc(N2CCO[C@H]3CCC[C@@H]32)s1 ZINC000054907046 519964756 /nfs/dbraw/zinc/96/47/56/519964756.db2.gz GTMIZFSGKAAOIT-STQMWFEESA-N 1 0 281.425 2.400 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000061231665 519967157 /nfs/dbraw/zinc/96/71/57/519967157.db2.gz GXVRRGZSDWYNSV-ZDUSSCGKSA-N 1 0 290.411 2.256 10 0 CEAERO CC[NH2+]C[C@H](C)c1c(C)nc(-c2cnccn2)nc1C ZINC000054854837 519969409 /nfs/dbraw/zinc/96/94/09/519969409.db2.gz RVWBAQGEKXAFEV-JTQLQIEISA-N 1 0 271.368 2.263 10 0 CEAERO CC[NH2+]C[C@H](C)CN1CCN(c2ccccc2F)CC1 ZINC000052374688 519969508 /nfs/dbraw/zinc/96/95/08/519969508.db2.gz PTYDOUREOYZNAX-AWEZNQCLSA-N 1 0 279.403 2.193 10 0 CEAERO CC[NH2+]C[C@H](CC)[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000052973174 519971746 /nfs/dbraw/zinc/97/17/46/519971746.db2.gz IIDPMYCBMITINQ-AAEUAGOBSA-N 1 0 267.394 2.193 10 0 CEAERO CC[NH2+]C[C@H](OCCCOC)c1ccc(OC)cc1 ZINC000050486251 519974080 /nfs/dbraw/zinc/97/40/80/519974080.db2.gz DWGRPYHLWXJXIZ-HNNXBMFYSA-N 1 0 267.369 2.399 10 0 CEAERO CC[NH2+]Cc1c2ccccc2oc1Cn1cncn1 ZINC000052575194 519985001 /nfs/dbraw/zinc/98/50/01/519985001.db2.gz SVPMGVILEYKQDB-UHFFFAOYSA-N 1 0 256.309 2.182 10 0 CEAERO CCC[NH2+][C@@H](C)c1c(F)cccc1N1CC[C@H](O)C1 ZINC000061710658 519986443 /nfs/dbraw/zinc/98/64/43/519986443.db2.gz FZSJQBIURWONRA-RYUDHWBXSA-N 1 0 266.360 2.457 10 0 CEAERO CCC[NH2+][C@@H](C)COc1cc(OC)cc(OC)c1 ZINC000068967109 519987533 /nfs/dbraw/zinc/98/75/33/519987533.db2.gz IIWUZUSTSLDDSG-NSHDSACASA-N 1 0 253.342 2.471 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccc(F)cc1OCCC(=O)NC ZINC000062747292 519989397 /nfs/dbraw/zinc/98/93/97/519989397.db2.gz JTESMZOYMQTJRK-NSHDSACASA-N 1 0 282.359 2.401 10 0 CEAERO CC[NH2+]Cc1cc(Cn2nc(C)c(Cl)c2C)on1 ZINC000052573886 519992715 /nfs/dbraw/zinc/99/27/15/519992715.db2.gz RRWCLYZVJXALEL-UHFFFAOYSA-N 1 0 268.748 2.299 10 0 CEAERO CC[NH2+]Cc1ccc(OC)cc1OC[C@H](O)C(F)(F)F ZINC000068877032 520000167 /nfs/dbraw/zinc/00/01/67/520000167.db2.gz RLJYBJPCJJHUQI-LBPRGKRZSA-N 1 0 293.285 2.107 10 0 CEAERO CCC[NH2+][C@@H](c1cc(C)oc1C)[C@H]1COCCO1 ZINC000055301228 520015338 /nfs/dbraw/zinc/01/53/38/520015338.db2.gz STALXKBCUWVRMI-KGLIPLIRSA-N 1 0 253.342 2.353 10 0 CEAERO CCC[NH2+][C@@H]1CCCc2nc(CS(C)(=O)=O)sc21 ZINC000052789311 520022069 /nfs/dbraw/zinc/02/20/69/520022069.db2.gz MHVURZODQSPLDD-SECBINFHSA-N 1 0 288.438 2.065 10 0 CEAERO CC[NH2+]Cc1nc2c([nH]1)CCc1cc(OC)ccc1-2 ZINC000069236390 520023414 /nfs/dbraw/zinc/02/34/14/520023414.db2.gz CLWSVZIKOJBHRZ-UHFFFAOYSA-N 1 0 257.337 2.293 10 0 CEAERO CC[NH2+]Cc1nnnn1-c1cc(Cl)ccc1Cl ZINC000054744234 520025902 /nfs/dbraw/zinc/02/59/02/520025902.db2.gz VSTIVMVNMCUXEW-UHFFFAOYSA-N 1 0 272.139 2.079 10 0 CEAERO CCC[NH2+][C@@H]1CCc2c1cccc2O[C@@H](CC)C(N)=O ZINC000062799944 520026829 /nfs/dbraw/zinc/02/68/29/520026829.db2.gz QCRRMMXQXZWTQI-KGLIPLIRSA-N 1 0 276.380 2.316 10 0 CEAERO CCC[NH2+][C@@H]1COc2cc(O[C@H]3CCOC3)ccc21 ZINC000070072019 520029161 /nfs/dbraw/zinc/02/91/61/520029161.db2.gz ZHAHBFQGSYQIAS-GXTWGEPZSA-N 1 0 263.337 2.287 10 0 CEAERO CC[NH2+]Cc1occc1CN1CCO[C@H]2CCC[C@@H]21 ZINC000052540217 520030665 /nfs/dbraw/zinc/03/06/65/520030665.db2.gz CEJAGXKYUMOFGJ-KBPBESRZSA-N 1 0 264.369 2.142 10 0 CEAERO CC[NH2+]Cc1sc(N2CCOC[C@H]2CC)nc1C ZINC000054997906 520034607 /nfs/dbraw/zinc/03/46/07/520034607.db2.gz ZHGWBVFUYSEWOJ-LLVKDONJSA-N 1 0 269.414 2.176 10 0 CEAERO CCC[NH2+][C@@](COC1CCC(C)CC1)(C(N)=O)C1CC1 ZINC000069196263 520055749 /nfs/dbraw/zinc/05/57/49/520055749.db2.gz JZWLYDIAMVHFJV-LDZOIKDWSA-N 1 0 282.428 2.215 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N(C)Cc1cc(C)ccc1OC ZINC000061273914 520059794 /nfs/dbraw/zinc/05/97/94/520059794.db2.gz HBVBYBRQGZYMCV-ZDUSSCGKSA-N 1 0 278.396 2.350 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N1CCn2c(C)ccc2[C@@H]1C ZINC000061271706 520063055 /nfs/dbraw/zinc/06/30/55/520063055.db2.gz RSJCGMSQGZTTDU-AAEUAGOBSA-N 1 0 263.385 2.088 10 0 CEAERO CCC[NH2+][C@H](C)c1cnc(N2CCOCC2)s1 ZINC000054900085 520067135 /nfs/dbraw/zinc/06/71/35/520067135.db2.gz ZLVFVMUXZAAEMQ-SNVBAGLBSA-N 1 0 255.387 2.040 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1ccc(OC)c(C)c1 ZINC000061274189 520070049 /nfs/dbraw/zinc/07/00/49/520070049.db2.gz UXKBUAOICZFYEM-NSHDSACASA-N 1 0 250.342 2.330 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(C)cc1OC[C@H](O)COCC ZINC000069276313 520073925 /nfs/dbraw/zinc/07/39/25/520073925.db2.gz DRDMVNUEEXHREN-UONOGXRCSA-N 1 0 281.396 2.442 10 0 CEAERO CCN(C(=O)c1ccc(Br)cc1)[C@@H]1CC[NH2+]C1 ZINC000058233852 520076202 /nfs/dbraw/zinc/07/62/02/520076202.db2.gz OSWBJWBWBGGRKO-GFCCVEGCSA-N 1 0 297.196 2.273 10 0 CEAERO CCN[C@@H](CC[N@@H+]1CCC[C@@H]1C1CCCC1)C(=O)OC ZINC000062461044 520087803 /nfs/dbraw/zinc/08/78/03/520087803.db2.gz FBRLAOZNPOLFMG-LSDHHAIUSA-N 1 0 282.428 2.182 10 0 CEAERO CCN(C(=O)c1ccc(NN)[nH+]c1)C1CCCCC1 ZINC000051096275 520088123 /nfs/dbraw/zinc/08/81/23/520088123.db2.gz UBXSNOMHJHCPFP-UHFFFAOYSA-N 1 0 262.357 2.162 10 0 CEAERO CCC[NH2+][C@H](c1ccc(OC)cc1C)[C@@H]1COCCO1 ZINC000055300485 520089823 /nfs/dbraw/zinc/08/98/23/520089823.db2.gz GKJSQQPBQPVJHL-JKSUJKDBSA-N 1 0 279.380 2.460 10 0 CEAERO CCC[NH2+][C@H](c1ccccc1)[C@@H](C)S(C)(=O)=O ZINC000054930505 520090288 /nfs/dbraw/zinc/09/02/88/520090288.db2.gz ILUQKVBKOSXEIR-YPMHNXCESA-N 1 0 255.383 2.160 10 0 CEAERO CCC[NH2+][C@H]1COc2cc(OCC(=O)OC(C)C)ccc21 ZINC000062804966 520097338 /nfs/dbraw/zinc/09/73/38/520097338.db2.gz RLOSKIZRWWVFDI-AWEZNQCLSA-N 1 0 293.363 2.450 10 0 CEAERO CCN(C(=O)c1cccc2cccnc21)C1CC[NH2+]CC1 ZINC000061416099 520104181 /nfs/dbraw/zinc/10/41/81/520104181.db2.gz RXQLQCJVOVHNDX-UHFFFAOYSA-N 1 0 283.375 2.449 10 0 CEAERO CC[NH2+][C@@H](Cc1cnn(C)c1)c1ccc(OC)cc1 ZINC000050542235 520106007 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CCN[C@@](C)(C[C@H](C)[NH+]1CCC2(CCCC2)CC1)C(N)=O ZINC000068645371 520143746 /nfs/dbraw/zinc/14/37/46/520143746.db2.gz ZBOYJLLGNLJYSA-HOCLYGCPSA-N 1 0 295.471 2.275 10 0 CEAERO CCCNc1ccc(C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000050749600 520147329 /nfs/dbraw/zinc/14/73/29/520147329.db2.gz MWKFYESOVAVVFR-UHFFFAOYSA-N 1 0 275.396 2.333 10 0 CEAERO CCN[C@@](C[N@@H+]1CCC[C@@H](CC)C1)(C(=O)OC)C1CC1 ZINC000069100013 520155154 /nfs/dbraw/zinc/15/51/54/520155154.db2.gz JDRKRVHAWYDVBJ-CZUORRHYSA-N 1 0 282.428 2.040 10 0 CEAERO CCCNc1ccc(CN2CCC[C@H]2C[NH+](C)C)cn1 ZINC000061653214 520156678 /nfs/dbraw/zinc/15/66/78/520156678.db2.gz TYIQVBCSFBVLEX-HNNXBMFYSA-N 1 0 276.428 2.430 10 0 CEAERO CC[NH2+][C@@](CSCc1ccccc1)(C(N)=O)C1CC1 ZINC000069185905 520158546 /nfs/dbraw/zinc/15/85/46/520158546.db2.gz RBMKTYDRVFDZRE-OAHLLOKOSA-N 1 0 278.421 2.163 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N(C)CCOc1ccc(F)cc1 ZINC000061271871 520162525 /nfs/dbraw/zinc/16/25/25/520162525.db2.gz XKBLHHMQJWWKOO-GFCCVEGCSA-N 1 0 282.359 2.051 10 0 CEAERO CCCNc1cccc(C(=O)N(CCC)CC[NH+](C)C)n1 ZINC000051071849 520172035 /nfs/dbraw/zinc/17/20/35/520172035.db2.gz JVPDUOGQSBWORD-UHFFFAOYSA-N 1 0 292.427 2.317 10 0 CEAERO CC[NH2+][C@H](C)c1cc(C)ccc1O[C@@H](CC)C(N)=O ZINC000061675926 520175825 /nfs/dbraw/zinc/17/58/25/520175825.db2.gz VLVSEKKNOPXZOT-YPMHNXCESA-N 1 0 264.369 2.308 10 0 CEAERO CCCNc1ccccc1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000050779264 520177419 /nfs/dbraw/zinc/17/74/19/520177419.db2.gz MDXOLLCIUCZYSF-ZDUSSCGKSA-N 1 0 287.407 2.475 10 0 CEAERO CC[NH2+][C@H](C)c1sc(N2CCN(CC)CC2)nc1C ZINC000054899330 520183903 /nfs/dbraw/zinc/18/39/03/520183903.db2.gz IFEXUFWXEAFNFX-LLVKDONJSA-N 1 0 282.457 2.264 10 0 CEAERO CC[NH2+][C@H](Cc1nc(C)cs1)c1ccnn1C ZINC000069467884 520205412 /nfs/dbraw/zinc/20/54/12/520205412.db2.gz QOBCGWSUIXKEFQ-SNVBAGLBSA-N 1 0 250.371 2.078 10 0 CEAERO CC[NH2+][C@H](c1ccc2c(c1)CC(C)(C)O2)[C@@H]1COCCO1 ZINC000055301492 520209526 /nfs/dbraw/zinc/20/95/26/520209526.db2.gz OPMFLBQWMZTBBL-JKSUJKDBSA-N 1 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AQWDEDKYNBATLR-CQSZACIVSA-N 1 0 263.385 2.196 10 0 CEAERO CCNc1ccnc(C(=O)NCCCC[N@H+](C)C(C)C)c1 ZINC000050779029 520344512 /nfs/dbraw/zinc/34/45/12/520344512.db2.gz JLOGVTJKYYEPRL-UHFFFAOYSA-N 1 0 292.427 2.364 10 0 CEAERO CC[N@@H+](CC(=O)Nc1ccc(C)cc1N)CC1CC1 ZINC000069237133 520357761 /nfs/dbraw/zinc/35/77/61/520357761.db2.gz QVKYVWFPHPKEQQ-UHFFFAOYSA-N 1 0 261.369 2.248 10 0 CEAERO CCCOc1ccc(C[C@@H](C)[NH3+])c(OCCC(=O)OC)c1 ZINC000069318621 520377729 /nfs/dbraw/zinc/37/77/29/520377729.db2.gz QQCRAZDPSOWRHC-GFCCVEGCSA-N 1 0 295.379 2.307 10 0 CEAERO CCCC[N@H+](C)CC[C@@H](NCCC)C(=O)OCC ZINC000062436388 520411064 /nfs/dbraw/zinc/41/10/64/520411064.db2.gz ZZEOVEUFWUWTDO-CYBMUJFWSA-N 1 0 258.406 2.040 10 0 CEAERO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[C@@H](C)[C@@H]1[NH3+] ZINC000055137058 520416974 /nfs/dbraw/zinc/41/69/74/520416974.db2.gz UJYWFYYAAXHHMC-BBBLOLIVSA-N 1 0 266.307 2.161 10 0 CEAERO CC[N@H+](CC(N)=S)Cc1cc(C)ccc1OC ZINC000050704097 520437063 /nfs/dbraw/zinc/43/70/63/520437063.db2.gz WJIOVUGOSXHNNT-UHFFFAOYSA-N 1 0 252.383 2.112 10 0 CEAERO CCCOc1nc(N2CC[C@H]([NH+](CC)CC)C2)ccc1N ZINC000062975867 520495853 /nfs/dbraw/zinc/49/58/53/520495853.db2.gz VDYVMJJAGCUZLI-ZDUSSCGKSA-N 1 0 292.427 2.373 10 0 CEAERO CCO[C@H](C[NH3+])CCSc1nc2ccccc2[nH]1 ZINC000062741923 520518398 /nfs/dbraw/zinc/51/83/98/520518398.db2.gz GIKURKMPRRNTLE-JTQLQIEISA-N 1 0 265.382 2.409 10 0 CEAERO CCCCN(CCO)c1ccc(C(N)=[NH2+])cc1Cl ZINC000062794179 520525698 /nfs/dbraw/zinc/52/56/98/520525698.db2.gz KRZSAVPWGBSBSZ-UHFFFAOYSA-N 1 0 269.776 2.223 10 0 CEAERO CCO[C@H]1CCCN(c2ncc([C@@H](C)[NH3+])s2)C1 ZINC000054898732 520528893 /nfs/dbraw/zinc/52/88/93/520528893.db2.gz LYSSHEZKUPUPAB-ZJUUUORDSA-N 1 0 255.387 2.168 10 0 CEAERO CCCCN(c1c(C[NH2+]CCOC)c(C)nn1C)C1CC1 ZINC000062737198 520552297 /nfs/dbraw/zinc/55/22/97/520552297.db2.gz XDHSOZPRFGQTTK-UHFFFAOYSA-N 1 0 294.443 2.233 10 0 CEAERO CCCCNC(=O)C[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000049280295 520620848 /nfs/dbraw/zinc/62/08/48/520620848.db2.gz ROYXIJGSYAERTN-LBPRGKRZSA-N 1 0 294.395 2.271 10 0 CEAERO CCC[C@@H](C)NC(=O)[C@@H](C)[NH2+]C(C1CC1)C1CC1 ZINC000049234977 520656718 /nfs/dbraw/zinc/65/67/18/520656718.db2.gz YSOWLOLJQHTQFN-GHMZBOCLSA-N 1 0 252.402 2.458 10 0 CEAERO CCCCOC(=O)COc1cccc2c1CC[C@@H]2[NH3+] ZINC000062798254 520712759 /nfs/dbraw/zinc/71/27/59/520712759.db2.gz RHDBMGJZAZTGTF-ZDUSSCGKSA-N 1 0 263.337 2.355 10 0 CEAERO CC[NH+](CC)C[C@H](O)CN[C@@H]1CCCc2sccc21 ZINC000061362248 520737984 /nfs/dbraw/zinc/73/79/84/520737984.db2.gz VBXVYHCYIBFXHH-TZMCWYRMSA-N 1 0 282.453 2.418 10 0 CEAERO CCC[C@@H](O)[C@@H](CC)[NH+]1CCN(CC(C)C)CC1 ZINC000055080868 520807894 /nfs/dbraw/zinc/80/78/94/520807894.db2.gz HCSXQONIZHWORH-HUUCEWRRSA-N 1 0 256.434 2.200 10 0 CEAERO CCOc1ccc(C)cc1[C@H]([NH2+]C)[C@@H]1COCCO1 ZINC000055301421 520927425 /nfs/dbraw/zinc/92/74/25/520927425.db2.gz WUYLTWPGLMIRJX-GJZGRUSLSA-N 1 0 265.353 2.070 10 0 CEAERO CCC[C@@]1(C(=O)N(Cc2ccccn2)C2CC2)CC[NH2+]C1 ZINC000062894818 520941318 /nfs/dbraw/zinc/94/13/18/520941318.db2.gz FMRHHDFLCNNASL-QGZVFWFLSA-N 1 0 287.407 2.352 10 0 CEAERO CCC[C@@]1(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)CC[NH2+]C1 ZINC000062902548 520942534 /nfs/dbraw/zinc/94/25/34/520942534.db2.gz RGOJLSVRKHWCFC-BFYDXBDKSA-N 1 0 272.392 2.439 10 0 CEAERO CCC[C@@]1(c2nc(-c3ncccc3C)no2)CC[NH2+]C1 ZINC000062918685 520967874 /nfs/dbraw/zinc/96/78/74/520967874.db2.gz FVPATJGVTNBTET-OAHLLOKOSA-N 1 0 272.352 2.471 10 0 CEAERO CCC[C@H](C(=O)Nc1ccc(OC2COC2)cc1)[NH+](C)C ZINC000188102975 520990005 /nfs/dbraw/zinc/99/00/05/520990005.db2.gz LVGVIGHXIUPWLY-OAHLLOKOSA-N 1 0 292.379 2.133 10 0 CEAERO CCCC[C@@H](CC)[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000069376864 521037472 /nfs/dbraw/zinc/03/74/72/521037472.db2.gz JEAZXRIQMDBHRO-CYBMUJFWSA-N 1 0 284.425 2.392 10 0 CEAERO CCOC(=O)[C@@H](NCC[NH+](C)C)c1ccccc1CC ZINC000052204506 521081357 /nfs/dbraw/zinc/08/13/57/521081357.db2.gz BQOIEMQESUMADO-HNNXBMFYSA-N 1 0 278.396 2.004 10 0 CEAERO CCCC[C@@](CC)(C[NH2+]C)[C@H]1CCS(=O)(=O)C1 ZINC000054657753 521122815 /nfs/dbraw/zinc/12/28/15/521122815.db2.gz NJUUHNVXBBOFDJ-STQMWFEESA-N 1 0 261.431 2.227 10 0 CEAERO CCOC(=O)[C@@](C)(N)C[C@@H](C)[NH+]1Cc2ccccc2C1 ZINC000068641928 521155928 /nfs/dbraw/zinc/15/59/28/521155928.db2.gz UXFMABWWWAMFSQ-WBMJQRKESA-N 1 0 276.380 2.061 10 0 CEAERO CCOC(=O)[C@@](N)(C[N@H+](CC(C)C)C(C)C)C1CC1 ZINC000069147076 521172147 /nfs/dbraw/zinc/17/21/47/521172147.db2.gz HZXDAIOMLBQUPP-OAHLLOKOSA-N 1 0 270.417 2.023 10 0 CEAERO CCOC(=O)[C@@](N)(C[N@H+](C)[C@@H](C)C(C)(C)C)C1CC1 ZINC000069101062 521172293 /nfs/dbraw/zinc/17/22/93/521172293.db2.gz HYHPAWBSDGEVQU-XHDPSFHLSA-N 1 0 270.417 2.023 10 0 CEAERO CCOC(=O)[C@@]1(N2CCC[NH2+]CC2)CCC[C@H](C)[C@@H]1C ZINC000068631401 521184279 /nfs/dbraw/zinc/18/42/79/521184279.db2.gz JLFWCQYICIQGEM-OFQRWUPVSA-N 1 0 282.428 2.040 10 0 CEAERO CCOC(=O)[C@H](C)Oc1cccc([C@H](C)[NH2+]C)c1 ZINC000049954824 521216457 /nfs/dbraw/zinc/21/64/57/521216457.db2.gz KXHIXAAEVGYFOC-QWRGUYRKSA-N 1 0 251.326 2.297 10 0 CEAERO CCOC(=O)[C@H](C)Oc1ccccc1C[C@H]([NH3+])CC ZINC000049955380 521217420 /nfs/dbraw/zinc/21/74/20/521217420.db2.gz DQDOUVAGNKGJSN-WCQYABFASA-N 1 0 265.353 2.297 10 0 CEAERO CCC[C@]1(C(=O)N(CC)CC2CC2)CCC[NH2+]C1 ZINC000069238243 521297998 /nfs/dbraw/zinc/29/79/98/521297998.db2.gz NCHCGEOGWULPSQ-HNNXBMFYSA-N 1 0 252.402 2.415 10 0 CEAERO CCOC(=O)[C@](C)(C[C@@H](C)[NH+]1CCCCC1)NC1CC1 ZINC000068620335 521322288 /nfs/dbraw/zinc/32/22/88/521322288.db2.gz LZYWACPSFCCKQL-CJNGLKHVSA-N 1 0 282.428 2.325 10 0 CEAERO CCOC(=O)[C@](C)(C[C@H](C)[N@H+](C)CC1CCCC1)NC ZINC000068647059 521324459 /nfs/dbraw/zinc/32/44/59/521324459.db2.gz XKIDXTMCHAEFPU-BBRMVZONSA-N 1 0 284.444 2.428 10 0 CEAERO CCOC(=O)[C@](C)([NH3+])CCOCCCc1ccccc1 ZINC000045628214 521327437 /nfs/dbraw/zinc/32/74/37/521327437.db2.gz VUYBYNJLSSIEAF-MRXNPFEDSA-N 1 0 279.380 2.306 10 0 CEAERO CCOC(=O)[C@](C[N@H+](CC)[C@@H](C)CC)(NC)C1CC1 ZINC000069097605 521340821 /nfs/dbraw/zinc/34/08/21/521340821.db2.gz OWYFJSQEMHPXLM-SWLSCSKDSA-N 1 0 270.417 2.038 10 0 CEAERO CCC(C)(C)[NH2+]CCn1cnc2sccc2c1=O ZINC000053522091 521352859 /nfs/dbraw/zinc/35/28/59/521352859.db2.gz VRZNWHFERYKYQP-UHFFFAOYSA-N 1 0 265.382 2.236 10 0 CEAERO CCC(CC)(C[NH3+])N(C)CC(=O)Nc1ccccc1F ZINC000050092461 521426615 /nfs/dbraw/zinc/42/66/15/521426615.db2.gz MPDOKAGPJIKUDB-UHFFFAOYSA-N 1 0 281.375 2.214 10 0 CEAERO CCOC(=O)c1cc(CC)sc1NC(=O)C(C)(C)[NH2+]C ZINC000061318517 521433385 /nfs/dbraw/zinc/43/33/85/521433385.db2.gz MDFJPWNLPRHJGX-UHFFFAOYSA-N 1 0 298.408 2.424 10 0 CEAERO CCOC(=O)c1cc(N[C@H](C)C[NH+]2CCCC2)ccc1N ZINC000049189398 521445521 /nfs/dbraw/zinc/44/55/21/521445521.db2.gz DYBPWJXHPOAJLS-GFCCVEGCSA-N 1 0 291.395 2.342 10 0 CEAERO CCC(CC)CC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000150962871 521503962 /nfs/dbraw/zinc/50/39/62/521503962.db2.gz NFJXZBOEKRPERG-CQSZACIVSA-N 1 0 298.471 2.364 10 0 CEAERO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@H](CC(C)C)CN(C)C ZINC000049555874 521587158 /nfs/dbraw/zinc/58/71/58/521587158.db2.gz NULYAWKTTYWYQS-UKRRQHHQSA-N 1 0 285.476 2.246 10 0 CEAERO CCCn1c(Sc2ccc(F)cc2[C@@H](C)[NH3+])n[nH]c1=O ZINC000061595904 521636075 /nfs/dbraw/zinc/63/60/75/521636075.db2.gz LEZRMXIIVMCVJW-MRVPVSSYSA-N 1 0 296.371 2.291 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCn3cccc3[C@@H]2C)C1 ZINC000052593509 521645066 /nfs/dbraw/zinc/64/50/66/521645066.db2.gz IFOVKIMUKIZAFR-KBPBESRZSA-N 1 0 290.411 2.059 10 0 CEAERO CCOC1CCN(C(=O)[C@H]2CCC[C@H](CC[NH3+])C2)CC1 ZINC000055161879 521655134 /nfs/dbraw/zinc/65/51/34/521655134.db2.gz ROFOVOGQBCMXJN-KGLIPLIRSA-N 1 0 282.428 2.169 10 0 CEAERO CCOC1CC[NH+](C[C@@H]2C[C@H](C)CCC2=O)CC1 ZINC000053928030 521655899 /nfs/dbraw/zinc/65/58/99/521655899.db2.gz AKMFEIBKYAXHGP-OLZOCXBDSA-N 1 0 253.386 2.493 10 0 CEAERO CCC[N@H+](C[C@@](NC1CC1)(C(=O)OC)C1CC1)C(C)C ZINC000069097683 521676283 /nfs/dbraw/zinc/67/62/83/521676283.db2.gz IKXFFQJATFBQLW-INIZCTEOSA-N 1 0 282.428 2.181 10 0 CEAERO CCCN(Cc1ccnc(C(N)=[NH2+])c1)CC(F)(F)F ZINC000068761695 521691117 /nfs/dbraw/zinc/69/11/17/521691117.db2.gz BKNZULHXAVQUJM-UHFFFAOYSA-N 1 0 274.290 2.140 10 0 CEAERO CCCN1C(=O)C[C@H]([NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000062209588 521699790 /nfs/dbraw/zinc/69/97/90/521699790.db2.gz KQQHONWJRGJJEF-AAEUAGOBSA-N 1 0 252.745 2.351 10 0 CEAERO CCOCCCC[NH2+]CCSC1CCOCC1 ZINC000062056758 521703610 /nfs/dbraw/zinc/70/36/10/521703610.db2.gz XGUCMPRPULQBRI-UHFFFAOYSA-N 1 0 261.431 2.305 10 0 CEAERO CCNC(=O)COc1cc(F)ccc1[C@H](C)[NH2+]CC ZINC000062747070 521738426 /nfs/dbraw/zinc/73/84/26/521738426.db2.gz FHSFLTGCLYRASI-JTQLQIEISA-N 1 0 268.332 2.011 10 0 CEAERO COCC[C@@H]([NH3+])CN(C)Cc1ccccc1Cl ZINC000052810803 521830844 /nfs/dbraw/zinc/83/08/44/521830844.db2.gz NWRAUYYMXJXDKH-GFCCVEGCSA-N 1 0 256.777 2.136 10 0 CEAERO C[NH+](C)C[C@H](NC(=O)Nc1ccon1)c1ccccc1 ZINC000183541953 521860014 /nfs/dbraw/zinc/86/00/14/521860014.db2.gz CRUOAGOXOZIEKV-LBPRGKRZSA-N 1 0 274.324 2.099 10 0 CEAERO CN(C)C[C@H]1CCC[N@@H+]1CCNc1ccc(F)cc1 ZINC000061655231 521869005 /nfs/dbraw/zinc/86/90/05/521869005.db2.gz HWMNJEISUIGUNB-OAHLLOKOSA-N 1 0 265.376 2.264 10 0 CEAERO COC(=O)c1cc(N[C@@H](CC(C)C)C[NH+](C)C)ccc1N ZINC000049561996 521896136 /nfs/dbraw/zinc/89/61/36/521896136.db2.gz AISDDDOVKAWDDY-ZDUSSCGKSA-N 1 0 293.411 2.444 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000061317050 521932282 /nfs/dbraw/zinc/93/22/82/521932282.db2.gz LOHXIGYOAGSOIC-SECBINFHSA-N 1 0 270.323 2.482 10 0 CEAERO C[NH2+]C(C)(C)C(=O)NCCCn1ccc2ccccc21 ZINC000061318418 521935485 /nfs/dbraw/zinc/93/54/85/521935485.db2.gz HLMGTBYBUQPDFX-UHFFFAOYSA-N 1 0 273.380 2.146 10 0 CEAERO C[NH2+]C(C)(C)C(=O)Nc1cccc(OC(F)F)c1 ZINC000061300876 521946028 /nfs/dbraw/zinc/94/60/28/521946028.db2.gz GGFJMIGPTCLSBN-UHFFFAOYSA-N 1 0 258.268 2.225 10 0 CEAERO COCC[C@H]([NH3+])c1nc(-c2ccc(OC)cc2)c(C)[nH]1 ZINC000052811108 521951925 /nfs/dbraw/zinc/95/19/25/521951925.db2.gz RFOXLTUWMVCBKA-ZDUSSCGKSA-N 1 0 275.352 2.430 10 0 CEAERO COCC[C@H]([NH3+])CN(C)Cc1ccc(Cl)s1 ZINC000052810858 521952220 /nfs/dbraw/zinc/95/22/20/521952220.db2.gz XMFSDTIKRUOTGK-VIFPVBQESA-N 1 0 262.806 2.197 10 0 CEAERO C[NH2+]CC(O)(Cc1ccccc1)Cc1ccccc1 ZINC000055027227 521964970 /nfs/dbraw/zinc/96/49/70/521964970.db2.gz KTXIFMVKTFJOFP-UHFFFAOYSA-N 1 0 255.361 2.422 10 0 CEAERO C[NH2+]CCC[C@H](C)Oc1cc(OC)cc(OC)c1 ZINC000070144337 521999698 /nfs/dbraw/zinc/99/96/98/521999698.db2.gz VKEHPOXTHAYEES-NSHDSACASA-N 1 0 253.342 2.471 10 0 CEAERO C[NH2+]CC[C@H]1CCCCN1C(=O)c1ccc(C)o1 ZINC000070191223 522019459 /nfs/dbraw/zinc/01/94/59/522019459.db2.gz ZLDOCOPBCXSLKK-GFCCVEGCSA-N 1 0 250.342 2.192 10 0 CEAERO C[NH2+]C[C@@H](C(C)C)N1CCN(c2cccc(OC)c2)CC1 ZINC000052423655 522025774 /nfs/dbraw/zinc/02/57/74/522025774.db2.gz SYLBIQAGBQRBRB-KRWDZBQOSA-N 1 0 291.439 2.061 10 0 CEAERO C[NH2+]C[C@@H](C)c1c(C)nc(C[C@H]2CCCO2)nc1C ZINC000054854673 522032071 /nfs/dbraw/zinc/03/20/71/522032071.db2.gz MNKVBNBRXWYKHK-ZWNOBZJWSA-N 1 0 263.385 2.138 10 0 CEAERO C[NH2+]C[C@@H](Cc1cnn(C)c1)Cc1ccc(OC)cc1 ZINC000052975869 522033975 /nfs/dbraw/zinc/03/39/75/522033975.db2.gz QLWLTXJNHJMOPT-CQSZACIVSA-N 1 0 273.380 2.050 10 0 CEAERO C[NH2+]C[C@@H]1CC[C@H](COc2ccc(Cl)cc2)O1 ZINC000052665164 522061916 /nfs/dbraw/zinc/06/19/16/522061916.db2.gz BNQZMDFZCGSPHZ-QWHCGFSZSA-N 1 0 255.745 2.486 10 0 CEAERO C[NH2+]C[C@H](C(C)C)N1CCN(c2cccc(C)c2)CC1 ZINC000052418894 522063238 /nfs/dbraw/zinc/06/32/38/522063238.db2.gz GBMSIRSSLYJOBP-QGZVFWFLSA-N 1 0 275.440 2.361 10 0 CEAERO C[NH2+]C[C@H](Cc1nnnn1-c1ccccc1)CC(C)C ZINC000052967855 522074318 /nfs/dbraw/zinc/07/43/18/522074318.db2.gz WSJJZIUNKRXUGX-ZDUSSCGKSA-N 1 0 273.384 2.087 10 0 CEAERO C[NH2+]C[C@H]1CC[C@@H](COCCc2cccs2)O1 ZINC000052707521 522094302 /nfs/dbraw/zinc/09/43/02/522094302.db2.gz NQPRTRCKZRXMCZ-NEPJUHHUSA-N 1 0 255.383 2.074 10 0 CEAERO C[NH2+]C[C@H](O[C@H](C)COC)c1ccc(OC)cc1 ZINC000070206728 522077577 /nfs/dbraw/zinc/07/75/77/522077577.db2.gz VJVVISSTTGBUGJ-RISCZKNCSA-N 1 0 253.342 2.007 10 0 CEAERO C[NH2+]C[C@H]1CC[C@@H](COC[C@@H]2CC=CC[C@@H]2C)O1 ZINC000052633328 522093405 /nfs/dbraw/zinc/09/34/05/522093405.db2.gz XEHFSYWAKRWOJV-XQLPTFJDSA-N 1 0 253.386 2.372 10 0 CEAERO C[NH2+]C[C@H]1CC[C@@H](COc2ccc(F)cc2F)O1 ZINC000052650869 522093497 /nfs/dbraw/zinc/09/34/97/522093497.db2.gz PZKHMPCQMIVROE-MNOVXSKESA-N 1 0 257.280 2.111 10 0 CEAERO C[NH2+]C[C@H]1CC[C@H](CN(CC(F)(F)F)C(C)C)O1 ZINC000052502881 522095522 /nfs/dbraw/zinc/09/55/22/522095522.db2.gz YBZDESKNCSPAOH-GHMZBOCLSA-N 1 0 268.323 2.026 10 0 CEAERO C[NH2+]C[C@H]1OCCN(C2CC2)[C@@H]1c1cccc(F)c1F ZINC000070289476 522098339 /nfs/dbraw/zinc/09/83/39/522098339.db2.gz GQVYJXJDINKAPV-UKRRQHHQSA-N 1 0 282.334 2.089 10 0 CEAERO C[NH2+]C[C@]1(CN2CCCc3ccccc32)CCOC1 ZINC000051213090 522099091 /nfs/dbraw/zinc/09/90/91/522099091.db2.gz NKTBJDFSHLEYMK-INIZCTEOSA-N 1 0 260.381 2.065 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(C(=O)CCc2ccccc2N)CC1 ZINC000055084765 522108656 /nfs/dbraw/zinc/10/86/56/522108656.db2.gz BEDKSZFCLHTFNB-CQSZACIVSA-N 1 0 289.423 2.144 10 0 CEAERO C[NH2+]Cc1cc(N2CCOC[C@H]2C)nc2ccccc12 ZINC000051444048 522113729 /nfs/dbraw/zinc/11/37/29/522113729.db2.gz VJSHDOPUXABHMC-GFCCVEGCSA-N 1 0 271.364 2.179 10 0 CEAERO COC(=O)c1ccc(N[C@H](C)C[NH+]2CCCCC2)c(N)c1 ZINC000049503219 522133150 /nfs/dbraw/zinc/13/31/50/522133150.db2.gz KFATZRPVRMNLHR-GFCCVEGCSA-N 1 0 291.395 2.342 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(c2nc(C)cc(C)c2CO)CC1 ZINC000055069076 522137521 /nfs/dbraw/zinc/13/75/21/522137521.db2.gz UJMFDXUQWOGORF-CQSZACIVSA-N 1 0 277.412 2.111 10 0 CEAERO C[NH2+]Cc1ccnc(N(C)Cc2ccc(OC)cc2)c1 ZINC000051486640 522139364 /nfs/dbraw/zinc/13/93/64/522139364.db2.gz JOASZQFRYMWVMX-UHFFFAOYSA-N 1 0 271.364 2.446 10 0 CEAERO C[NH2+]Cc1ccnc(-c2ccc3ncccc3c2)n1 ZINC000062802626 522139649 /nfs/dbraw/zinc/13/96/49/522139649.db2.gz ZCPLIQNAOKMIAF-UHFFFAOYSA-N 1 0 250.305 2.411 10 0 CEAERO C[NH2+]Cc1cn(CCOc2cc(C)c(Cl)c(C)c2)nn1 ZINC000052700062 522146712 /nfs/dbraw/zinc/14/67/12/522146712.db2.gz YPGZWALTYBUXBJ-UHFFFAOYSA-N 1 0 294.786 2.347 10 0 CEAERO C[NH2+]Cc1sc(N2CCO[C@H]3CCCC[C@@H]32)nc1C ZINC000055001803 522166584 /nfs/dbraw/zinc/16/65/84/522166584.db2.gz PRBWLRCMZKXNKU-RYUDHWBXSA-N 1 0 281.425 2.319 10 0 CEAERO CC[C@H](C[NH2+]C)N1CCN(c2cccc(C)c2)CC1 ZINC000052418915 522192749 /nfs/dbraw/zinc/19/27/49/522192749.db2.gz ILBLXKPNRXYHAJ-OAHLLOKOSA-N 1 0 261.413 2.115 10 0 CEAERO CC[C@H](C[NH2+]CC(C)C)Cc1nnnn1-c1ccccc1 ZINC000052974297 522194426 /nfs/dbraw/zinc/19/44/26/522194426.db2.gz AFRCOANSQUOJHC-AWEZNQCLSA-N 1 0 287.411 2.477 10 0 CEAERO CC[C@H]([NH3+])Cc1noc(-c2cccc(F)c2F)n1 ZINC000054214962 522336178 /nfs/dbraw/zinc/33/61/78/522336178.db2.gz GGCRUUTZOZPKPJ-ZETCQYMHSA-N 1 0 253.252 2.295 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccccn1)N1CCC[C@@H]1CCCO ZINC000052757613 522340353 /nfs/dbraw/zinc/34/03/53/522340353.db2.gz HZNHVTZZALSFLV-YCPHGPKFSA-N 1 0 277.412 2.097 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccncc1)N1CCC[C@@H]1CCCO ZINC000052757218 522342720 /nfs/dbraw/zinc/34/27/20/522342720.db2.gz KXMAMQVNXFEJAO-OWCLPIDISA-N 1 0 277.412 2.097 10 0 CEAERO CC[C@H]([NH3+])c1ccccc1OC[C@H](O)C(F)(F)F ZINC000068875712 522348591 /nfs/dbraw/zinc/34/85/91/522348591.db2.gz OINCRPJLGMZNCE-ONGXEEELSA-N 1 0 263.259 2.398 10 0 CEAERO CC[C@H]([NH3+])c1ccccc1OCCCC(=O)NC ZINC000068816032 522349189 /nfs/dbraw/zinc/34/91/89/522349189.db2.gz LNKLLCMSAQJOTL-LBPRGKRZSA-N 1 0 250.342 2.001 10 0 CEAERO C[NH2+][C@@H](Cc1cnn(C)c1)c1ccc(F)cc1F ZINC000062774355 522362591 /nfs/dbraw/zinc/36/25/91/522362591.db2.gz ABTZGCXOBFMXQE-ZDUSSCGKSA-N 1 0 251.280 2.202 10 0 CEAERO C[NH2+][C@@H](c1cc(OC)ccc1OC)C1CCOCC1 ZINC000061671614 522367142 /nfs/dbraw/zinc/36/71/42/522367142.db2.gz YRKZHFIOHWZAKR-OAHLLOKOSA-N 1 0 265.353 2.391 10 0 CEAERO CCc1nc(N2CCOCC2)sc1C[NH2+]C(C)(C)C ZINC000054995201 522387656 /nfs/dbraw/zinc/38/76/56/522387656.db2.gz NQZAPPSVJNJTOK-UHFFFAOYSA-N 1 0 283.441 2.430 10 0 CEAERO C[NH2+][C@@](C)(CCCOc1cccc2ccccc21)C(N)=O ZINC000045519128 522410183 /nfs/dbraw/zinc/41/01/83/522410183.db2.gz SIRLZULXAKSRQK-KRWDZBQOSA-N 1 0 286.375 2.462 10 0 CEAERO CN[C@@](C[NH+]1CCC(C(C)(C)C)CC1)(C(=O)OC)C1CC1 ZINC000069231563 522424765 /nfs/dbraw/zinc/42/47/65/522424765.db2.gz CYCJJFRHBYHVET-QGZVFWFLSA-N 1 0 296.455 2.286 10 0 CEAERO CC[C@@H](C)c1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000063176292 522431249 /nfs/dbraw/zinc/43/12/49/522431249.db2.gz IEEGEHHBUQKQFH-BYCMXARLSA-N 1 0 296.436 2.358 10 0 CEAERO C[NH2+][C@@](CSc1ccccc1Cl)(C(N)=O)C1CC1 ZINC000069186549 522432588 /nfs/dbraw/zinc/43/25/88/522432588.db2.gz SEZGRGBQZSSKPQ-CYBMUJFWSA-N 1 0 284.812 2.286 10 0 CEAERO C[NH2+][C@H](C)C[C@H](C)N1CCN(c2cccc(OC)c2)CC1 ZINC000068654200 522440159 /nfs/dbraw/zinc/44/01/59/522440159.db2.gz ZLYYXXHVOSKNEC-CABCVRRESA-N 1 0 291.439 2.204 10 0 CEAERO COc1cc(C[NH2+]C2(CO)CCCCC2)ccc1O ZINC000053096020 522442746 /nfs/dbraw/zinc/44/27/46/522442746.db2.gz ZEBZFCBZPHIVKV-UHFFFAOYSA-N 1 0 265.353 2.186 10 0 CEAERO C[NH2+][C@H](C)c1c(F)cccc1N1CCCC[C@@H]1CO ZINC000048857906 522444857 /nfs/dbraw/zinc/44/48/57/522444857.db2.gz RHEGQOVPIARCBL-VXGBXAGGSA-N 1 0 266.360 2.457 10 0 CEAERO C[NH2+][C@H](C)c1ccc(F)cc1OCCC(=O)NC1CC1 ZINC000062746309 522447687 /nfs/dbraw/zinc/44/76/87/522447687.db2.gz HSOQVBAXKUBEOL-SNVBAGLBSA-N 1 0 280.343 2.154 10 0 CEAERO C[NH2+][C@H](C)c1ccc(OC)c(Cn2cccc(C)c2=O)c1 ZINC000062985831 522448740 /nfs/dbraw/zinc/44/87/40/522448740.db2.gz DZDASLAHUYRFHX-CYBMUJFWSA-N 1 0 286.375 2.494 10 0 CEAERO C[NH2+][C@H](C)c1cnc(N2CCOCC2(C)C)s1 ZINC000054909181 522453910 /nfs/dbraw/zinc/45/39/10/522453910.db2.gz PCBGGTCJGBIPKN-SECBINFHSA-N 1 0 255.387 2.039 10 0 CEAERO C[NH2+][C@H](CCCS(C)(=O)=O)c1ccc2ncccc2c1 ZINC000063017477 522458202 /nfs/dbraw/zinc/45/82/02/522458202.db2.gz ZKWMKYFHIAMYNB-CQSZACIVSA-N 1 0 292.404 2.320 10 0 CEAERO CN[C@H](CC[NH+](C1CCCCC1)C1CCCCC1)C(N)=O ZINC000062437496 522460142 /nfs/dbraw/zinc/46/01/42/522460142.db2.gz DCMQPXLVJIWAQV-MRXNPFEDSA-N 1 0 295.471 2.417 10 0 CEAERO C[NH2+][C@H](C[C@H]1CCCO1)c1ccc2c(c1)OCCO2 ZINC000055223561 522470791 /nfs/dbraw/zinc/47/07/91/522470791.db2.gz KMDVCPZUNLURDW-CHWSQXEVSA-N 1 0 263.337 2.287 10 0 CEAERO C[NH2+][C@H](Cn1ccc(=O)cc1)c1cc(C)ccc1C ZINC000061627794 522475955 /nfs/dbraw/zinc/47/59/55/522475955.db2.gz VTEUNMXWOTVBIN-MRXNPFEDSA-N 1 0 256.349 2.426 10 0 CEAERO C[NH2+][C@H](c1cc(OC)c(OC)cc1F)[C@H]1CCCO1 ZINC000061561245 522477749 /nfs/dbraw/zinc/47/77/49/522477749.db2.gz QKXZIAYNKBKGKA-BXUZGUMPSA-N 1 0 269.316 2.282 10 0 CEAERO CC[C@@H](CC(=O)[O-])[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062756970 522482907 /nfs/dbraw/zinc/48/29/07/522482907.db2.gz SDUOBPHOSKWAJB-AWEZNQCLSA-N 1 0 268.401 2.048 10 0 CEAERO C[NH2+][C@H](c1cncnc1)c1nccc2ccccc21 ZINC000069314860 522485422 /nfs/dbraw/zinc/48/54/22/522485422.db2.gz ASTZKJLFKPGZQQ-CQSZACIVSA-N 1 0 250.305 2.334 10 0 CEAERO C[NH2+][C@H](c1cnn(C)c1)c1nccc2ccccc21 ZINC000069314839 522486795 /nfs/dbraw/zinc/48/67/95/522486795.db2.gz VUWAJJBBWFXWPV-CQSZACIVSA-N 1 0 252.321 2.277 10 0 CEAERO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000163805133 522514157 /nfs/dbraw/zinc/51/41/57/522514157.db2.gz ONQHWZLGLKEMSJ-VIFPVBQESA-N 1 0 282.771 2.451 10 0 CEAERO CCc1nccn1-c1ccc(F)cc1C[NH2+]CCOC ZINC000062738815 522579972 /nfs/dbraw/zinc/57/99/72/522579972.db2.gz PRWAGOSQEDWJGW-UHFFFAOYSA-N 1 0 277.343 2.310 10 0 CEAERO CNc1ccc(C)cc1C(=O)N[C@H](C[NH+](C)C)C(C)C ZINC000053004075 522603700 /nfs/dbraw/zinc/60/37/00/522603700.db2.gz FGOZKBOCHFCZDD-OAHLLOKOSA-N 1 0 277.412 2.353 10 0 CEAERO COC[C@H](C)Oc1cc(C[NH2+]C(C)(C)C)ccn1 ZINC000070208940 522636720 /nfs/dbraw/zinc/63/67/20/522636720.db2.gz OMCSCSUOGSMRRH-NSHDSACASA-N 1 0 252.358 2.383 10 0 CEAERO COc1cc(NC(=[NH2+])NCC(C)C)cc(OC)c1OC ZINC000052069273 522637510 /nfs/dbraw/zinc/63/75/10/522637510.db2.gz AOZJJOLBHJSDOX-UHFFFAOYSA-N 1 0 281.356 2.305 10 0 CEAERO COc1cc(NC(=[NH2+])NC(C)(C)C)cc(OC)c1 ZINC000052069426 522638462 /nfs/dbraw/zinc/63/84/62/522638462.db2.gz DOENLZKVSLSDEV-UHFFFAOYSA-N 1 0 251.330 2.439 10 0 CEAERO CC[C@@H]([NH3+])Cc1c(C)nn(Cc2cnn(CC)c2)c1C 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266.360 2.245 10 0 CEAERO CC[C@H]1CO[C@@H](C)CN1c1[nH+]c(C)cc(C)c1CO ZINC000048916277 523346865 /nfs/dbraw/zinc/34/68/65/523346865.db2.gz FBKJRFVYEVHJRX-STQMWFEESA-N 1 0 264.369 2.194 10 0 CEAERO COCCC[NH2+]CCN(C)c1cc(C)cc(C)c1 ZINC000053436504 523374462 /nfs/dbraw/zinc/37/44/62/523374462.db2.gz UTDVJZFEFYKRQU-UHFFFAOYSA-N 1 0 250.386 2.366 10 0 CEAERO COCCCOCc1csc(C[NH2+]C(C)C)n1 ZINC000052597398 523407029 /nfs/dbraw/zinc/40/70/29/523407029.db2.gz FUMLAZJAEGACIB-UHFFFAOYSA-N 1 0 258.387 2.194 10 0 CEAERO COCCCOc1cc(C[NH2+]CC(C)C)ccn1 ZINC000051522355 523410169 /nfs/dbraw/zinc/41/01/69/523410169.db2.gz ZAKGELMFPPSEJS-UHFFFAOYSA-N 1 0 252.358 2.243 10 0 CEAERO CC[C@@H]1CN(c2ccc(Cl)cc2C(N)=[NH2+])CCO1 ZINC000052860047 523469439 /nfs/dbraw/zinc/46/94/39/523469439.db2.gz ZNKMOWILOBHUQR-SNVBAGLBSA-N 1 0 267.760 2.239 10 0 CEAERO CC[C@@H]1CN(c2nc(C)c([C@@H](C)[NH3+])s2)CCO1 ZINC000054895614 523473117 /nfs/dbraw/zinc/47/31/17/523473117.db2.gz IBBQXXUDZCHBTL-PSASIEDQSA-N 1 0 255.387 2.086 10 0 CEAERO CN(Cc1cnn(C)c1)[C@@H](C[NH3+])c1cc2ccccc2o1 ZINC000068811499 523514420 /nfs/dbraw/zinc/51/44/20/523514420.db2.gz ILFWQPZRWWPRCQ-AWEZNQCLSA-N 1 0 284.363 2.298 10 0 CEAERO CN(Cc1csc(C[NH3+])n1)Cc1ccccc1F ZINC000052541423 523525672 /nfs/dbraw/zinc/52/56/72/523525672.db2.gz WOECOMRQZJHHJO-UHFFFAOYSA-N 1 0 265.357 2.373 10 0 CEAERO COCCN(C(=O)CC[C@@H]1CCCC[NH2+]1)[C@H](C)C1CC1 ZINC000050947123 523533393 /nfs/dbraw/zinc/53/33/93/523533393.db2.gz BTTHROYNLMXCMX-HIFRSBDPSA-N 1 0 282.428 2.182 10 0 CEAERO CC[C@]1(C(=O)N[C@H]2CCc3ccccc3C2)CCC[NH2+]C1 ZINC000062860864 523541117 /nfs/dbraw/zinc/54/11/17/523541117.db2.gz YCYFAHYAZIEYPL-WMZOPIPTSA-N 1 0 286.419 2.440 10 0 CEAERO CCn1ccnc1[C@H](Cc1cccc(OC)c1)[NH2+]C ZINC000069497923 523555676 /nfs/dbraw/zinc/55/56/76/523555676.db2.gz XBBNHPHMVWEFIG-AWEZNQCLSA-N 1 0 259.353 2.415 10 0 CEAERO COCCN(C)c1ccc(C(F)(F)F)cc1C(N)=[NH2+] ZINC000048924616 523634497 /nfs/dbraw/zinc/63/44/97/523634497.db2.gz LSCNVIGBWYFXLM-UHFFFAOYSA-N 1 0 275.274 2.072 10 0 CEAERO COC(=O)[C@@H](N[C@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000050507059 523639525 /nfs/dbraw/zinc/63/95/25/523639525.db2.gz WZNRYHOAAOXMSN-CJNGLKHVSA-N 1 0 290.407 2.221 10 0 CEAERO COCCN(CC(C)C)C(=O)CC1CCC([NH3+])CC1 ZINC000055133008 523670774 /nfs/dbraw/zinc/67/07/74/523670774.db2.gz GXRRGPGGWKTSMW-UHFFFAOYSA-N 1 0 270.417 2.025 10 0 CEAERO CC[C@@]1(C(=O)Nc2ccc3c(c2)CCO3)CCC[NH2+]C1 ZINC000062855833 523697337 /nfs/dbraw/zinc/69/73/37/523697337.db2.gz GHECQRPUAYIFIZ-MRXNPFEDSA-N 1 0 274.364 2.340 10 0 CEAERO COc1ccc(C(=O)NCC[C@H]2CCCC[NH2+]2)cc1F ZINC000061668756 523702245 /nfs/dbraw/zinc/70/22/45/523702245.db2.gz IQHAKGANESCFKO-GFCCVEGCSA-N 1 0 280.343 2.096 10 0 CEAERO CCn1nccc1[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC000069471511 523745148 /nfs/dbraw/zinc/74/51/48/523745148.db2.gz ZEDNQKWVQJWJFN-LBPRGKRZSA-N 1 0 251.280 2.424 10 0 CEAERO CCn1nccc1[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C ZINC000069471299 523746309 /nfs/dbraw/zinc/74/63/09/523746309.db2.gz AIRLBAYHVJCTHK-ZDUSSCGKSA-N 1 0 289.379 2.423 10 0 CEAERO CC[C@@]1(c2nc(Cc3ccc(F)cc3)no2)CC[NH2+]C1 ZINC000062917069 523747839 /nfs/dbraw/zinc/74/78/39/523747839.db2.gz GIGDUARADBEXRA-OAHLLOKOSA-N 1 0 275.327 2.441 10 0 CEAERO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccccc1C(F)(F)F ZINC000067173380 523758452 /nfs/dbraw/zinc/75/84/52/523758452.db2.gz OSPDOILBRCNFNC-NXEZZACHSA-N 1 0 273.254 2.181 10 0 CEAERO COCCN([C@H](C[NH3+])c1ccc2ncccc2c1)C1CC1 ZINC000069502654 523782418 /nfs/dbraw/zinc/78/24/18/523782418.db2.gz FEPFXSOQGIOHNB-QGZVFWFLSA-N 1 0 285.391 2.345 10 0 CEAERO CN(C(=O)CC1CC[NH2+]CC1)c1cccc(F)c1 ZINC000050008935 523795622 /nfs/dbraw/zinc/79/56/22/523795622.db2.gz CNAFNTVXWFQHCS-UHFFFAOYSA-N 1 0 250.317 2.178 10 0 CEAERO COc1ccc(C)cc1C(=O)N1[C@@H](C[NH3+])CCC[C@@H]1C ZINC000070151861 523800843 /nfs/dbraw/zinc/80/08/43/523800843.db2.gz DGQGUPRUJKAXLU-QWHCGFSZSA-N 1 0 276.380 2.346 10 0 CEAERO COc1ccc(C)cc1C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000070175941 523801559 /nfs/dbraw/zinc/80/15/59/523801559.db2.gz MVNBMRHUDWSIAZ-TZMCWYRMSA-N 1 0 276.380 2.203 10 0 CEAERO COC(=O)[C@@](C)(C[C@@H](C)[N@H+](C)[C@@H](C)C1CC1)NC1CC1 ZINC000068625461 523815475 /nfs/dbraw/zinc/81/54/75/523815475.db2.gz HSLMURKNJUNXRK-BFQNTYOBSA-N 1 0 282.428 2.179 10 0 CEAERO COC(=O)[C@@](C)([NH3+])C[C@H](C)Sc1nc2ccccc2[nH]1 ZINC000068635344 523819559 /nfs/dbraw/zinc/81/95/59/523819559.db2.gz BGZPOJGRZPWONJ-XPTSAGLGSA-N 1 0 293.392 2.324 10 0 CEAERO CC[C@H](C)CN(C)c1ncc(C[NH2+]CCOC)s1 ZINC000054903125 523871843 /nfs/dbraw/zinc/87/18/43/523871843.db2.gz ONJORWHYMWESSU-NSHDSACASA-N 1 0 271.430 2.361 10 0 CEAERO COC(=O)[C@H](CC[N@H+](C)[C@H](C)CC(C)C)NC1CC1 ZINC000062524279 523898334 /nfs/dbraw/zinc/89/83/34/523898334.db2.gz XGHGKYZQJWYGPW-OCCSQVGLSA-N 1 0 270.417 2.037 10 0 CEAERO COCC[NH2+]C[C@@H]1C[C@@H]1c1cc(OC)ccc1OC ZINC000054598657 523941400 /nfs/dbraw/zinc/94/14/00/523941400.db2.gz LSCNFDJRHKJRCK-AAEUAGOBSA-N 1 0 265.353 2.043 10 0 CEAERO COCC[NH2+]C[C@@H]1C[C@H]1c1ccc(OC)cc1OC ZINC000054598539 523941588 /nfs/dbraw/zinc/94/15/88/523941588.db2.gz WHNBKKAEANTSRJ-SMDDNHRTSA-N 1 0 265.353 2.043 10 0 CEAERO COCC[NH2+]C[C@@H]1C[C@@H]1c1cc(Cl)c2c(c1)OCCO2 ZINC000054598693 523941673 /nfs/dbraw/zinc/94/16/73/523941673.db2.gz KHJQUSQMAAPXOZ-NWDGAFQWSA-N 1 0 297.782 2.451 10 0 CEAERO COCC[NH2+]C[C@H](C)c1c(C)nc(C2CC2)nc1C ZINC000054855178 523942217 /nfs/dbraw/zinc/94/22/17/523942217.db2.gz FACZVNQCJPZFPL-JTQLQIEISA-N 1 0 263.385 2.310 10 0 CEAERO COCC[NH2+]C[C@H]1CCCCN1Cc1ccccc1OC ZINC000053653769 523943300 /nfs/dbraw/zinc/94/33/00/523943300.db2.gz MKQCQKVSUDKZBP-MRXNPFEDSA-N 1 0 292.423 2.286 10 0 CEAERO COCC[NH2+]C[C@H](CCOCC(F)(F)F)C(C)C ZINC000054663272 523944008 /nfs/dbraw/zinc/94/40/08/523944008.db2.gz ONNQYRGVWWPCKO-NSHDSACASA-N 1 0 271.323 2.464 10 0 CEAERO COCC[NH2+]C[C@]1(Cc2cc(C)cc(C)c2)CCOC1 ZINC000054666489 523945579 /nfs/dbraw/zinc/94/55/79/523945579.db2.gz IAEAAXVDVSSUPR-QGZVFWFLSA-N 1 0 277.408 2.489 10 0 CEAERO COCC[NH2+]C[C@](C)(O)c1cccc(C(F)(F)F)c1 ZINC000055033595 523946076 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Cc1cccc(N(C)C[C@]([NH2+]C(C)C)(C(N)=O)C2CC2)c1 ZINC000069231393 524519745 /nfs/dbraw/zinc/51/97/45/524519745.db2.gz TZKRFLQNMZCRAL-QGZVFWFLSA-N 1 0 289.423 2.063 10 0 CEAERO Cc1cccc(N2CCN([C@@H]3CC[C@H](C)[NH2+]C3)CC2)c1 ZINC000062948494 524559750 /nfs/dbraw/zinc/55/97/50/524559750.db2.gz SLSQSGVUCTVGJB-DOTOQJQBSA-N 1 0 273.424 2.258 10 0 CEAERO Cc1cccc(N2CCN(c3ncc(C[NH3+])s3)CC2)c1 ZINC000054864530 524563039 /nfs/dbraw/zinc/56/30/39/524563039.db2.gz HVSBOXOLADXVCU-UHFFFAOYSA-N 1 0 288.420 2.237 10 0 CEAERO C[C@@H](C[NH3+])COc1cccc(I)c1 ZINC000052696395 524583674 /nfs/dbraw/zinc/58/36/74/524583674.db2.gz YVNNDTVGQIGCNW-QMMMGPOBSA-N 1 0 291.132 2.265 10 0 CEAERO C[C@@H](C[NH+]1CCCC1)NC(=O)c1cc2cc(N)ccc2o1 ZINC000049149181 524590351 /nfs/dbraw/zinc/59/03/51/524590351.db2.gz WEMQILWSWGQAQG-NSHDSACASA-N 1 0 287.363 2.229 10 0 CEAERO C[C@@H](CN1CCCC1)[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000049151341 524591633 /nfs/dbraw/zinc/59/16/33/524591633.db2.gz KUAOAINHNWJVTD-LBPRGKRZSA-N 1 0 293.377 2.087 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WSOKVUOXZPMFTK-MELADBBJSA-N 1 0 250.386 2.057 10 0 CEAERO C[C@H](C[C@](C)(NC1CC1)C(N)=O)[N@H+](C)CC1CCCCC1 ZINC000068638486 524652531 /nfs/dbraw/zinc/65/25/31/524652531.db2.gz GIHKBGUVMLZRAD-DYVFJYSZSA-N 1 0 295.471 2.273 10 0 CEAERO C[C@H](C[C@](C)([NH2+]C1CC1)C(=O)[O-])[N@H+](C)CC1CCCC1 ZINC000068646971 524654721 /nfs/dbraw/zinc/65/47/21/524654721.db2.gz XIZOQHBEXLMYRX-WBMJQRKESA-N 1 0 282.428 2.482 10 0 CEAERO C[C@H]1CN(c2cccc(Cl)c2C(N)=[NH2+])C[C@H](C)O1 ZINC000052904571 524670881 /nfs/dbraw/zinc/67/08/81/524670881.db2.gz ORZBYLOCKMCXDM-IUCAKERBSA-N 1 0 267.760 2.238 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C)N1C(=O)c1ccccc1Br ZINC000069132596 524699235 /nfs/dbraw/zinc/69/92/35/524699235.db2.gz QIVHCDGOUQKJSN-UWVGGRQHSA-N 1 0 297.196 2.272 10 0 CEAERO Cc1cccc(OCCCN2[C@H](C)C[NH2+]C[C@@H]2C)c1 ZINC000069134142 524733674 /nfs/dbraw/zinc/73/36/74/524733674.db2.gz UFJVHFRNVYYNFV-GASCZTMLSA-N 1 0 262.397 2.446 10 0 CEAERO C[C@@H](C[NH2+]C1CCCC1)N1CCN(c2nccs2)CC1 ZINC000053488422 524735601 /nfs/dbraw/zinc/73/56/01/524735601.db2.gz JBBUSZMYVUNFSO-ZDUSSCGKSA-N 1 0 294.468 2.186 10 0 CEAERO COc1ccccc1[C@@H](O)[C@H]([NH3+])Cc1ccccc1 ZINC000054686204 524743639 /nfs/dbraw/zinc/74/36/39/524743639.db2.gz XTIPPRNYMRHHFX-GDBMZVCRSA-N 1 0 257.333 2.299 10 0 CEAERO C[C@H](Cc1ccco1)[NH2+]CCOCC(F)(F)F ZINC000049311046 524746589 /nfs/dbraw/zinc/74/65/89/524746589.db2.gz ONRJPCJNAHEZOT-SECBINFHSA-N 1 0 251.248 2.379 10 0 CEAERO C[C@@H](CNc1ccccc1C(N)=S)C[NH+]1CCCC1 ZINC000062080366 524757921 /nfs/dbraw/zinc/75/79/21/524757921.db2.gz MYXOBYJLHZKPGM-LBPRGKRZSA-N 1 0 277.437 2.465 10 0 CEAERO C[C@@H](CNc1nc(Cl)nc(Cl)n1)[NH+]1CCCCC1 ZINC000061519027 524759109 /nfs/dbraw/zinc/75/91/09/524759109.db2.gz GNMSCKRVKCPRJK-QMMMGPOBSA-N 1 0 290.198 2.465 10 0 CEAERO C[C@H]([NH3+])Cc1cnn(Cc2cc(F)ccc2F)c1 ZINC000054741463 524834131 /nfs/dbraw/zinc/83/41/31/524834131.db2.gz ARAWOJCCLFKABQ-VIFPVBQESA-N 1 0 251.280 2.099 10 0 CEAERO Cc1cc(C[C@H](C[NH3+])C(=O)NC(C)(C)C)ccc1F ZINC000050544418 524835649 /nfs/dbraw/zinc/83/56/49/524835649.db2.gz SBWHBPYTIJSVAI-GFCCVEGCSA-N 1 0 266.360 2.166 10 0 CEAERO C[C@@H](C[C@@](C)([NH3+])C(=O)[O-])[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000068641720 524853695 /nfs/dbraw/zinc/85/36/95/524853695.db2.gz BKVNPIILZCFOCT-DUVNUKRYSA-N 1 0 276.380 2.057 10 0 CEAERO C[C@@H](C[C@](C)(N)C(N)=O)[NH+]1CCC2(CCCCC2)CC1 ZINC000068643023 524859845 /nfs/dbraw/zinc/85/98/45/524859845.db2.gz VPGVCPQRJUHDLN-ZFWWWQNUSA-N 1 0 281.444 2.014 10 0 CEAERO C[C@H]([NH3+])c1cc(F)ccc1Sc1n[nH]c(=O)n1C1CC1 ZINC000061595879 524863397 /nfs/dbraw/zinc/86/33/97/524863397.db2.gz VUZJEJHGXSLGNB-ZETCQYMHSA-N 1 0 294.355 2.216 10 0 CEAERO COc1ccc(OC)c([C@@H]([NH3+])c2cccnc2OC)c1 ZINC000061443136 524886659 /nfs/dbraw/zinc/88/66/59/524886659.db2.gz BPGVBTSIVBZPIV-AWEZNQCLSA-N 1 0 274.320 2.156 10 0 CEAERO C[C@@H](Cc1ccc(F)cc1)NC(=O)CCCC[NH3+] ZINC000070203731 524891227 /nfs/dbraw/zinc/89/12/27/524891227.db2.gz GWEDPAXERIFYQU-NSHDSACASA-N 1 0 252.333 2.002 10 0 CEAERO COc1ccc(OC)c([C@](C)(O)C[NH2+]CC(C)C)c1 ZINC000055033537 524921161 /nfs/dbraw/zinc/92/11/61/524921161.db2.gz ZKYVIYLUFGTDIA-OAHLLOKOSA-N 1 0 267.369 2.157 10 0 CEAERO C[C@@H](Cc1ccco1)[NH2+]CCOCC(F)(F)F ZINC000049311045 524927563 /nfs/dbraw/zinc/92/75/63/524927563.db2.gz ONRJPCJNAHEZOT-VIFPVBQESA-N 1 0 251.248 2.379 10 0 CEAERO C[C@@H]([NH3+])Cc1noc(-c2cccc3cccnc32)n1 ZINC000061418945 525002703 /nfs/dbraw/zinc/00/27/03/525002703.db2.gz PFGXLBLPYMWUDN-SECBINFHSA-N 1 0 254.293 2.175 10 0 CEAERO C[C@@H]([NH3+])Cc1noc(-c2ccccc2Br)n1 ZINC000054161210 525003175 /nfs/dbraw/zinc/00/31/75/525003175.db2.gz AXBXHTCLBODURY-SSDOTTSWSA-N 1 0 282.141 2.389 10 0 CEAERO C[C@H]1[NH2+]CCCN(Cc2ccc(Cl)cc2)C1=O ZINC000063215103 525008694 /nfs/dbraw/zinc/00/86/94/525008694.db2.gz ZEZSSRRNZPOPGX-SNVBAGLBSA-N 1 0 252.745 2.050 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C)N1C(=O)c1cc2c(s1)CCCC2 ZINC000069133098 525097180 /nfs/dbraw/zinc/09/71/80/525097180.db2.gz NLFZNFYYYJUSQS-GHMZBOCLSA-N 1 0 278.421 2.449 10 0 CEAERO 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258.365 2.333 10 0 CEAERO COc1ccc([C@@H](C)[NH2+]Cc2cncnc2)cc1OC ZINC000054768047 525157355 /nfs/dbraw/zinc/15/73/55/525157355.db2.gz QPUROPCJVRKWHS-LLVKDONJSA-N 1 0 273.336 2.345 10 0 CEAERO C[C@]1(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)CC[NH2+]C1 ZINC000062891324 525195738 /nfs/dbraw/zinc/19/57/38/525195738.db2.gz CRILVMVUJIQRFV-GUTXKFCHSA-N 1 0 250.386 2.025 10 0 CEAERO Cc1ccccc1N(C)Cc1ccnc(C(N)=[NH2+])c1 ZINC000068761783 525215262 /nfs/dbraw/zinc/21/52/62/525215262.db2.gz GYJKJMZTIPEPHO-UHFFFAOYSA-N 1 0 254.337 2.310 10 0 CEAERO Cc1cc(NCC[C@H](C)[NH3+])ncc1Br ZINC000163956024 525270374 /nfs/dbraw/zinc/27/03/74/525270374.db2.gz QJVOEGLWFLJJSW-QMMMGPOBSA-N 1 0 258.163 2.302 10 0 CEAERO C[C@@H](NC(=O)[C@H](C[NH3+])c1ccccc1)c1ccco1 ZINC000061611354 525287233 /nfs/dbraw/zinc/28/72/33/525287233.db2.gz GYOXJQQWMUJFMH-DGCLKSJQSA-N 1 0 258.321 2.199 10 0 CEAERO COc1ccc([C@H](C)CN2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000183399632 525295965 /nfs/dbraw/zinc/29/59/65/525295965.db2.gz 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CEAERO C[C@@H]1CC(C)(C)C[C@](C[NH3+])(N(C)Cc2nccn2C)C1 ZINC000062249769 526222640 /nfs/dbraw/zinc/22/26/40/526222640.db2.gz KOIMKXFEAWACRG-CZUORRHYSA-N 1 0 278.444 2.396 10 0 CEAERO C[C@H](CC(N)=O)C[C@@H]([NH3+])c1cc2c(cc1Cl)OCCO2 ZINC000061830305 526259660 /nfs/dbraw/zinc/25/96/60/526259660.db2.gz GTULHUXXLYLIED-GZMMTYOYSA-N 1 0 298.770 2.013 10 0 CEAERO Cc1cnn(CC[NH2+][C@H](C)c2cccc(CO)c2)c1 ZINC000183285109 526263636 /nfs/dbraw/zinc/26/36/36/526263636.db2.gz DMDQYWYESIGJAY-CYBMUJFWSA-N 1 0 259.353 2.035 10 0 CEAERO Cc1csc(CNCC[C@@H]2CCCC[N@H+]2C)n1 ZINC000052205736 526356172 /nfs/dbraw/zinc/35/61/72/526356172.db2.gz QKIGVDWABMVKKR-LBPRGKRZSA-N 1 0 253.415 2.416 10 0 CEAERO O=C(NCCc1ccsc1)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000049184959 526449747 /nfs/dbraw/zinc/44/97/47/526449747.db2.gz HMGZJEAARYEMBF-MELADBBJSA-N 1 0 278.421 2.328 10 0 CEAERO c1ccc(CN2CC[NH2+][C@@H](C3CCCCC3)C2)nc1 ZINC000068693865 526469479 /nfs/dbraw/zinc/46/94/79/526469479.db2.gz FXJOTFKAKBGNIS-MRXNPFEDSA-N 1 0 259.397 2.436 10 0 CEAERO O=C(CC[C@@H]1CCCC[NH2+]1)Nc1ccc2c(c1)CCO2 ZINC000050945151 526548261 /nfs/dbraw/zinc/54/82/61/526548261.db2.gz OEFUUKWAAIHEAW-ZDUSSCGKSA-N 1 0 274.364 2.482 10 0 CEAERO O=C(CC[C@@H]1CCCCO1)N1CCC[C@H]1C1CC[NH2+]CC1 ZINC000069388563 526549108 /nfs/dbraw/zinc/54/91/08/526549108.db2.gz BPHSFWQYBUVGHK-HOTGVXAUSA-N 1 0 294.439 2.326 10 0 CEAERO O=C(CC[C@H]1CCCC[NH2+]1)Nc1cccc(CO)c1 ZINC000050944489 526565850 /nfs/dbraw/zinc/56/58/50/526565850.db2.gz QDOOJUMUSSZAPS-CYBMUJFWSA-N 1 0 262.353 2.040 10 0 CEAERO Cc1nonc1COc1ccc(C)cc1C[C@@H](C)[NH3+] ZINC000070269323 526703668 /nfs/dbraw/zinc/70/36/68/526703668.db2.gz PPFTZTLNOFNRKY-SNVBAGLBSA-N 1 0 261.325 2.155 10 0 CEAERO Cc1oc(C[NH3+])cc1Cn1ccc(C(F)(F)F)n1 ZINC000052592551 526771714 /nfs/dbraw/zinc/77/17/14/526771714.db2.gz KMKZRDRCZDOXSC-UHFFFAOYSA-N 1 0 259.231 2.310 10 0 CEAERO NC(=[NH2+])c1cc(COc2ccc3c(c2)CCC3)ccn1 ZINC000068762473 526819572 /nfs/dbraw/zinc/81/95/72/526819572.db2.gz RQCXDGKVGXJWGW-UHFFFAOYSA-N 1 0 267.332 2.433 10 0 CEAERO NC(=[NH2+])c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000052860389 526820862 /nfs/dbraw/zinc/82/08/62/526820862.db2.gz SBFPLHQOCRMUMS-MRVPVSSYSA-N 1 0 254.717 2.039 10 0 CEAERO NC(=[NH2+])c1ccnc(N2CC[C@@H](c3ccccc3)C2)c1 ZINC000050599461 526824596 /nfs/dbraw/zinc/82/45/96/526824596.db2.gz MMLNMPCZOUXGJC-CQSZACIVSA-N 1 0 266.348 2.360 10 0 CEAERO Cc1nc(CN(C)C[C@]2(C[NH2+]C(C)C)CCOC2)cs1 ZINC000051250990 526841097 /nfs/dbraw/zinc/84/10/97/526841097.db2.gz LVDRBLBTMNJHGC-OAHLLOKOSA-N 1 0 297.468 2.288 10 0 CEAERO Cc1sc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1N ZINC000049551038 526873453 /nfs/dbraw/zinc/87/34/53/526873453.db2.gz DNCJCZQRWKJYOD-NSHDSACASA-N 1 0 283.441 2.345 10 0 CEAERO Cc1sc(C(=O)N[C@H](C)C[NH+]2CCCCC2)cc1N ZINC000049500550 526874079 /nfs/dbraw/zinc/87/40/79/526874079.db2.gz TVUYOFRSWRSHHF-SNVBAGLBSA-N 1 0 281.425 2.243 10 0 CEAERO O=C(N[C@@H]1CC[NH2+]C2(CCCCC2)C1)[C@H]1CCCCO1 ZINC000050970795 526932323 /nfs/dbraw/zinc/93/23/23/526932323.db2.gz 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277.549 2.390 10 0 CEAERO [NH3+]CCC1CCN(c2ccc(Br)cn2)CC1 ZINC000053705655 527169113 /nfs/dbraw/zinc/16/91/13/527169113.db2.gz NSIRLJVBMCIQHX-UHFFFAOYSA-N 1 0 284.201 2.409 10 0 CEAERO [NH3+]CCCNC(=O)c1cc2cccc(Br)c2o1 ZINC000051354970 527180174 /nfs/dbraw/zinc/18/01/74/527180174.db2.gz SEFWGWHEFBBYKR-UHFFFAOYSA-N 1 0 297.152 2.274 10 0 CEAERO [NH3+]CCc1ccc(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000052899035 527196328 /nfs/dbraw/zinc/19/63/28/527196328.db2.gz GKEJNXKFJKPFNH-ARFHVFGLSA-N 1 0 272.392 2.240 10 0 CEAERO [NH3+]C[C@@H](Oc1cccc(F)c1F)c1ccccn1 ZINC000062612100 527205580 /nfs/dbraw/zinc/20/55/80/527205580.db2.gz MHSIHYOUUUJXGM-GFCCVEGCSA-N 1 0 250.248 2.439 10 0 CEAERO [NH3+]C[C@H](c1cccnc1)n1cc(-c2ccccc2)cn1 ZINC000054960959 527229926 /nfs/dbraw/zinc/22/99/26/527229926.db2.gz OTLZJWFMTIDYGJ-MRXNPFEDSA-N 1 0 264.332 2.493 10 0 CEAERO [NH3+]C[C@H]1CC[C@@H](COc2cccc(Br)c2)O1 ZINC000052674044 527239329 /nfs/dbraw/zinc/23/93/29/527239329.db2.gz WFSSQGRQCMRIJM-NEPJUHHUSA-N 1 0 286.169 2.334 10 0 CEAERO [NH3+]C[C@](O)(c1ccccc1OC(F)(F)F)C(F)(F)F ZINC000062784401 527241792 /nfs/dbraw/zinc/24/17/92/527241792.db2.gz KYQKCVVVHSSPNZ-QMMMGPOBSA-N 1 0 289.175 2.294 10 0 CEAERO [NH3+]Cc1cc(Cl)ccc1Sc1nnnn1C1CC1 ZINC000052858716 527248892 /nfs/dbraw/zinc/24/88/92/527248892.db2.gz COSXNVMETONTDI-UHFFFAOYSA-N 1 0 281.772 2.271 10 0 CEAERO [NH3+]Cc1cc2ccccc2nc1N1CCC[C@H]1CCCO ZINC000052761681 527250944 /nfs/dbraw/zinc/25/09/44/527250944.db2.gz BSNDBMFIGKRVMW-HNNXBMFYSA-N 1 0 285.391 2.435 10 0 CEAERO [NH3+]Cc1ccc(O[C@H]2CCOC2)c(C(F)(F)F)c1 ZINC000070072022 527258031 /nfs/dbraw/zinc/25/80/31/527258031.db2.gz KIMAMUBPCIZPRR-VIFPVBQESA-N 1 0 261.243 2.332 10 0 CEAERO [NH3+]Cc1cccc(-c2nncn2-c2ccccc2)c1 ZINC000054526752 527259313 /nfs/dbraw/zinc/25/93/13/527259313.db2.gz MPUGQHFMKPIZFU-UHFFFAOYSA-N 1 0 250.305 2.393 10 0 CEAERO [NH3+]Cc1ccccc1CSc1nnc2ccccn21 ZINC000061407223 527260525 /nfs/dbraw/zinc/26/05/25/527260525.db2.gz RVKCDIXBLGILAX-UHFFFAOYSA-N 1 0 270.361 2.480 10 0 CEAERO O=C(Cc1cccc(O)c1)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000069052655 527270013 /nfs/dbraw/zinc/27/00/13/527270013.db2.gz IRMRWURCMHWQEK-UHFFFAOYSA-N 1 0 282.343 2.219 10 0 CEAERO NNc1ccc(C(=O)Nc2ccccc2Cl)c[nH+]1 ZINC000051096455 527278206 /nfs/dbraw/zinc/27/82/06/527278206.db2.gz VSZCKTKWKAXYGT-UHFFFAOYSA-N 1 0 262.700 2.273 10 0 CEAERO Cn1cc([C@@H]([NH3+])C2(c3ccccc3)CCOCC2)cn1 ZINC000062783646 527292668 /nfs/dbraw/zinc/29/26/68/527292668.db2.gz OSHKEDNCOTUQHG-OAHLLOKOSA-N 1 0 271.364 2.168 10 0 CEAERO [NH3+][C@@H](Cc1csc(-c2nc[nH]n2)n1)c1ccccc1 ZINC000051965923 527337450 /nfs/dbraw/zinc/33/74/50/527337450.db2.gz GTMAPFGXYCYLNH-NSHDSACASA-N 1 0 271.349 2.171 10 0 CEAERO [NH3+][C@@H](c1cnn(-c2ccccc2)c1)[C@H]1CCCOC1 ZINC000062230809 527338702 /nfs/dbraw/zinc/33/87/02/527338702.db2.gz UZVRLKZDWBHASM-SWLSCSKDSA-N 1 0 257.337 2.299 10 0 CEAERO [NH3+][C@@H](c1noc(-c2ccc3nccnc3c2)n1)C1CC1 ZINC000061418830 527340581 /nfs/dbraw/zinc/34/05/81/527340581.db2.gz XDTZZFVGCKAWPR-GFCCVEGCSA-N 1 0 267.292 2.090 10 0 CEAERO [NH3+][C@@H]1CCN(c2cc(C(F)(F)F)ccc2Cl)C1=O ZINC000049648350 527364490 /nfs/dbraw/zinc/36/44/90/527364490.db2.gz DNSPMAILVIUGIM-MRVPVSSYSA-N 1 0 278.661 2.423 10 0 CEAERO [NH3+][C@H](C(=O)NCc1ccc(F)cc1F)c1ccccc1 ZINC000051017839 527380864 /nfs/dbraw/zinc/38/08/64/527380864.db2.gz ULQSBQLRYQBEEH-AWEZNQCLSA-N 1 0 276.286 2.281 10 0 CEAERO [NH3+][C@H](Cc1ccccc1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000054685699 527389152 /nfs/dbraw/zinc/38/91/52/527389152.db2.gz VKOVCRLSHQDMHA-CZUORRHYSA-N 1 0 271.316 2.019 10 0 CEAERO Nc1c(Cl)ncnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000062364715 527432734 /nfs/dbraw/zinc/43/27/34/527432734.db2.gz QGUKJSBFWRPDKE-UHFFFAOYSA-N 1 0 295.818 2.024 10 0 CEAERO Nc1ccc(Cl)c(C[N@@H+]2CCC[C@@H]2CCCO)n1 ZINC000061639122 527485611 /nfs/dbraw/zinc/48/56/11/527485611.db2.gz VSHREFCARJGDPH-SNVBAGLBSA-N 1 0 269.776 2.054 10 0 CEAERO OCC1(C[N@@H+]2CCC[C@@H]2C2CCCC2)CCOCC1 ZINC000052199617 527522378 /nfs/dbraw/zinc/52/23/78/527522378.db2.gz OJISGKDGBKLYKT-OAHLLOKOSA-N 1 0 267.413 2.430 10 0 CEAERO Nc1ccccc1CC[NH+]1CCN(c2nccs2)CC1 ZINC000052918211 527525727 /nfs/dbraw/zinc/52/57/27/527525727.db2.gz XKPOKANNTUPPIW-UHFFFAOYSA-N 1 0 288.420 2.090 10 0 CEAERO Nc1cnccc1O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061702180 527537048 /nfs/dbraw/zinc/53/70/48/527537048.db2.gz GKPBAABOMJNBEY-AWEZNQCLSA-N 1 0 269.348 2.317 10 0 CEAERO OCCn1cc(C[NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)cn1 ZINC000068691066 527576478 /nfs/dbraw/zinc/57/64/78/527576478.db2.gz XPCSPBURWFMRCK-NWDGAFQWSA-N 1 0 291.317 2.086 10 0 CEAERO OCc1cnc(N2CC[NH+](C3CCCC3)CC2)c(Cl)c1 ZINC000052062855 527641049 /nfs/dbraw/zinc/64/10/49/527641049.db2.gz ZFRYJLQKIBDGFD-UHFFFAOYSA-N 1 0 295.814 2.292 10 0 CEAERO O[C@@H]1CCN(c2nc3ccccc3cc2C[NH2+]C2CC2)C1 ZINC000061711214 527675218 /nfs/dbraw/zinc/67/52/18/527675218.db2.gz TYURBWLZUPDVEK-OAHLLOKOSA-N 1 0 283.375 2.058 10 0 CEAERO Cc1nn(C)c(N2C[C@@H](C)O[C@@H](C)C2)c1C[NH2+]CC(C)C ZINC000062734260 527676368 /nfs/dbraw/zinc/67/63/68/527676368.db2.gz CLZKAMWOHBKEGK-BETUJISGSA-N 1 0 294.443 2.088 10 0 CEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC1(C)CCC1 ZINC000177413461 528291295 /nfs/dbraw/zinc/29/12/95/528291295.db2.gz FUYFQWYCHFQHSI-ZDUSSCGKSA-N 1 0 269.433 2.452 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2cc(OC(C)C)ncn2)C1 ZINC000090793271 529059303 /nfs/dbraw/zinc/05/93/03/529059303.db2.gz MIJQUCHLHOJJFR-GFCCVEGCSA-N 1 0 264.373 2.160 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N([C@@H](C)C2CC2)C2CC2)C1 ZINC000174233582 529086943 /nfs/dbraw/zinc/08/69/43/529086943.db2.gz KSRMWSUPDTWUMK-JSGCOSHPSA-N 1 0 279.428 2.443 10 0 CEAERO CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000251339806 535075809 /nfs/dbraw/zinc/07/58/09/535075809.db2.gz PXSYLDXSFAYJDX-OAGGEKHMSA-N 1 0 290.407 2.254 10 0 CEAERO CC(C)C[NH2+]Cc1cccnc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090907711 535169801 /nfs/dbraw/zinc/16/98/01/535169801.db2.gz AJMQSLBTOJXKFA-GASCZTMLSA-N 1 0 275.396 2.195 10 0 CEAERO CC[NH2+][C@H](C)CCN1CCN(c2ccccc2OC)CC1 ZINC000043817882 535508324 /nfs/dbraw/zinc/50/83/24/535508324.db2.gz YOLPRZUIONNMNZ-OAHLLOKOSA-N 1 0 291.439 2.205 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C)CN1c1cc(OC)ccc1OC ZINC000083479458 536169864 /nfs/dbraw/zinc/16/98/64/536169864.db2.gz BLCZAIXOOVHKHA-NEPJUHHUSA-N 1 0 264.369 2.281 10 0 CEAERO C[NH2+][C@@H]1CCC[C@H]1CCN1c2ccccc2OCC1=O ZINC000093556641 536367009 /nfs/dbraw/zinc/36/70/09/536367009.db2.gz XXXKVJFZLDMWEF-QWHCGFSZSA-N 1 0 274.364 2.190 10 0 CEAERO COc1cccc2c1N(C(=O)[C@H]1CCC[C@H]1[NH3+])CCC2 ZINC000085369555 536958276 /nfs/dbraw/zinc/95/82/76/536958276.db2.gz OQLLSCOTTWSGKV-QWHCGFSZSA-N 1 0 274.364 2.102 10 0 CEAERO COc1cc([C@@H]2[NH2+]CCc3ccsc32)sn1 ZINC000712526245 538752357 /nfs/dbraw/zinc/75/23/57/538752357.db2.gz IPFVFKHFHBTQPY-JTQLQIEISA-N 1 0 252.364 2.448 10 0 CEAERO CC(C)(C)OC(=O)N1CC([C@@H]2CCCC[NH2+]C2)C1 ZINC000714789838 538844335 /nfs/dbraw/zinc/84/43/35/538844335.db2.gz IQKFBGNHYLJHJI-LLVKDONJSA-N 1 0 254.374 2.243 10 0 CEAERO C[C@H]1Cc2ccccc2N(C(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000079521574 538887137 /nfs/dbraw/zinc/88/71/37/538887137.db2.gz LCOBNBZQKUUGKV-BLLLJJGKSA-N 1 0 258.365 2.354 10 0 CEAERO Cc1cccc(C)c1NC(=O)c1ccc(NC(=O)C[NH3+])cc1 ZINC000000967838 560180096 /nfs/dbraw/zinc/18/00/96/560180096.db2.gz NVVRHNPFZRQLSF-UHFFFAOYSA-N 1 0 297.358 2.453 10 0 in-vitro CEAERO Cc1ccc([C@H]2C[NH2+]C[C@H]2C(=O)OC(C)(C)C)o1 ZINC000757189479 574511778 /nfs/dbraw/zinc/51/17/78/574511778.db2.gz NVOCEWYMVYVAJW-WDEREUQCSA-N 1 0 251.326 2.233 10 0 CEAERO C[C@@H](O)[C@H](C)N(C(=O)OC(C)(C)C)c1ccc(C[NH3+])nc1 ZINC000757136018 574510123 /nfs/dbraw/zinc/51/01/23/574510123.db2.gz XYBHCVUAVYFMHS-WDEREUQCSA-N 1 0 295.383 2.051 10 0 CEAERO CC(C)[C@H]1O[C@@]2(CN3CCC2CC3)[NH2+]CC1(C)C ZINC000757143261 574510280 /nfs/dbraw/zinc/51/02/80/574510280.db2.gz MKWJVAXFVNOIMF-UKRRQHHQSA-N 1 0 252.402 2.079 10 0 CEAERO [NH3+]C[C@H]1CCN1Cc1ccc(F)c(Br)c1 ZINC000757144286 574510292 /nfs/dbraw/zinc/51/02/92/574510292.db2.gz IWIGMUBUXSINIV-SECBINFHSA-N 1 0 273.149 2.121 10 0 CEAERO CC(C)CNC(=O)N1[C@H](CC[NH3+])CCC[C@H]1C(F)(F)F ZINC000675073844 574511362 /nfs/dbraw/zinc/51/13/62/574511362.db2.gz UTGRQUAVEXHFFL-QWRGUYRKSA-N 1 0 295.349 2.486 10 0 CEAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000757184157 574511613 /nfs/dbraw/zinc/51/16/13/574511613.db2.gz JIUXFVDUTACPLM-CHWSQXEVSA-N 1 0 265.328 2.470 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cscn1 ZINC000154871875 574773236 /nfs/dbraw/zinc/77/32/36/574773236.db2.gz OCILYMILOUZRTI-CYBMUJFWSA-N 1 0 296.440 2.063 10 0 CEAERO Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c(F)c1 ZINC000094919005 625324700 /nfs/dbraw/zinc/32/47/00/625324700.db2.gz LKTMXOXDHHRGIU-FOSCPWQOSA-N 1 0 262.328 2.147 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)COC1CCCCC1 ZINC000176979933 625335833 /nfs/dbraw/zinc/33/58/33/625335833.db2.gz BORVNWWYRRKGTG-CQSZACIVSA-N 1 0 282.428 2.278 10 0 CEAERO C[C@@H]1CN(C(=O)c2cccc(Cl)c2Cl)C[C@@H]1[NH3+] ZINC000235365016 625342559 /nfs/dbraw/zinc/34/25/59/625342559.db2.gz QSJVDPALZFJDPQ-XCBNKYQSSA-N 1 0 273.163 2.413 10 0 CEAERO C[C@H](C[C@H]1CCC(=O)N1)[NH2+][C@@H](C)c1cccs1 ZINC000310490766 625576804 /nfs/dbraw/zinc/57/68/04/625576804.db2.gz IGVHJNZMHDCBEK-OUAUKWLOSA-N 1 0 252.383 2.456 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]C[C@@H]2CCOC2)C1 ZINC000083799226 623232814 /nfs/dbraw/zinc/23/28/14/623232814.db2.gz CCUUGJUXHGRIRH-KBPBESRZSA-N 1 0 298.427 2.260 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1Nc1cncc(Br)c1 ZINC000261529656 623337942 /nfs/dbraw/zinc/33/79/42/623337942.db2.gz BGTFBUBAAGFNLV-KCJUWKMLSA-N 1 0 270.174 2.383 10 0 CEAERO CCN1CCC[C@H]([NH2+][C@@H]2C[C@H](OC)C23CCC3)C1 ZINC000308367925 623674038 /nfs/dbraw/zinc/67/40/38/623674038.db2.gz MWDQVDWEUNCKBX-MJBXVCDLSA-N 1 0 252.402 2.018 10 0 CEAERO COCC[NH+](CCOC)C[C@H](O)c1cc2ccccc2o1 ZINC000044176910 624456269 /nfs/dbraw/zinc/45/62/69/624456269.db2.gz PHGKHQYDFCKKQH-AWEZNQCLSA-N 1 0 293.363 2.061 10 0 CEAERO C[NH2+]CCc1noc(Cc2ccc(Br)cc2)n1 ZINC000051850833 624624479 /nfs/dbraw/zinc/62/44/79/624624479.db2.gz GKOPZVUAVIDYQQ-UHFFFAOYSA-N 1 0 296.168 2.185 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CSC(F)(F)F)C1 ZINC000158824190 625097868 /nfs/dbraw/zinc/09/78/68/625097868.db2.gz SFKYZFDNNSFIPV-BDAKNGLRSA-N 1 0 284.347 2.084 10 0 CEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(C)c(F)c1 ZINC000166617976 627642282 /nfs/dbraw/zinc/64/22/82/627642282.db2.gz YQVJYXHCBWNSFW-VXGBXAGGSA-N 1 0 251.301 2.000 10 0 CEAERO [NH3+][C@H](CC1CC1)C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000311351328 627642502 /nfs/dbraw/zinc/64/25/02/627642502.db2.gz LZOQBZDPXCTVFH-VQXHTEKXSA-N 1 0 278.318 2.351 10 0 CEAERO CC(=O)[C@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2)C1 ZINC000111712960 627831053 /nfs/dbraw/zinc/83/10/53/627831053.db2.gz OASNUVIMWDPNOD-JSGCOSHPSA-N 1 0 274.364 2.315 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(C)(Cl)Cl)C1 ZINC000181777917 628132426 /nfs/dbraw/zinc/13/24/26/628132426.db2.gz QTGDJIBECJRYBQ-BDAKNGLRSA-N 1 0 267.200 2.025 10 0 CEAERO OC[C@@H]1CCCC[C@H]1[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000396426096 628224321 /nfs/dbraw/zinc/22/43/21/628224321.db2.gz RYAOCDAHNXTXCD-GMKTYKIGSA-N 1 0 295.345 2.363 10 0 CEAERO Cc1cc(C(=O)N2C[C@@H]3CC[N@@H+](C)C[C@H]3C2)cc(Cl)n1 ZINC000313109756 628579464 /nfs/dbraw/zinc/57/94/64/628579464.db2.gz ZGWFTVXJKKYVBX-AAEUAGOBSA-N 1 0 293.798 2.067 10 0 CEAERO CN(CC(C)(C)C[NH3+])c1ncnc2sccc21 ZINC000093874599 628726522 /nfs/dbraw/zinc/72/65/22/628726522.db2.gz AQBJZZHUHRRJGS-UHFFFAOYSA-N 1 0 250.371 2.112 10 0 CEAERO [NH3+]C1CC(C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000258684704 628760614 /nfs/dbraw/zinc/76/06/14/628760614.db2.gz IOFRSCYWEVFVIJ-UHFFFAOYSA-N 1 0 258.243 2.381 10 0 CEAERO COc1ccc(NC(=O)C2CC([NH3+])C2)cc1Cl ZINC000258700438 628762154 /nfs/dbraw/zinc/76/21/54/628762154.db2.gz JYOGIOUBZFTHPA-UHFFFAOYSA-N 1 0 254.717 2.024 10 0 CEAERO CC(C)[C@H]1CCCC[C@@H]1[NH2+]C1CCN(CCO)CC1 ZINC000398947896 628766122 /nfs/dbraw/zinc/76/61/22/628766122.db2.gz AJPYUSYFJWAHQO-CVEARBPZSA-N 1 0 268.445 2.248 10 0 CEAERO Cc1cc([C@@H](C)[NH2+]C2CCN(CCO)CC2)c(C)s1 ZINC000399007796 628768892 /nfs/dbraw/zinc/76/88/92/628768892.db2.gz AMAVXSUICPNLBO-GFCCVEGCSA-N 1 0 282.453 2.472 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000094751563 628933981 /nfs/dbraw/zinc/93/39/81/628933981.db2.gz VXELEPAIXDOFIQ-XGUBFFRZSA-N 1 0 280.412 2.064 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC(C)(C)c1ccccc1 ZINC000261570328 628939156 /nfs/dbraw/zinc/93/91/56/628939156.db2.gz OOVBMRCCZBXNSJ-JSGCOSHPSA-N 1 0 260.381 2.426 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(F)cc3F)C[C@H]12 ZINC000261582288 628941659 /nfs/dbraw/zinc/94/16/59/628941659.db2.gz RDELJZMNDFDFHX-LJWDBELGSA-N 1 0 252.308 2.134 10 0 CEAERO Cc1cnc([C@H](C)NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)o1 ZINC000261642604 628957495 /nfs/dbraw/zinc/95/74/95/628957495.db2.gz LUVXJJZFQWSGKT-LOWDOPEQSA-N 1 0 277.368 2.081 10 0 CEAERO Cc1sc2ncnc(N3CC[C@]4(CC[NH2+]C4)C3)c2c1C ZINC000261662314 628972405 /nfs/dbraw/zinc/97/24/05/628972405.db2.gz FBQUVWRNGPHRIU-HNNXBMFYSA-N 1 0 288.420 2.498 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)c1ncoc1-c1ccccc1Cl ZINC000261664950 628975708 /nfs/dbraw/zinc/97/57/08/628975708.db2.gz GFLAMEGNYRLONC-VIFPVBQESA-N 1 0 293.754 2.333 10 0 CEAERO Cc1cc2c(ncnc2N2C[C@@H](C)[NH2+]C[C@H]2C)s1 ZINC000250907063 629158061 /nfs/dbraw/zinc/15/80/61/629158061.db2.gz AXPXEVDAWMSRHO-RKDXNWHRSA-N 1 0 262.382 2.186 10 0 CEAERO COC(=O)C1CCC([NH2+][C@H]2CN(C(C)C)C[C@@H]2C)CC1 ZINC000237123585 629240093 /nfs/dbraw/zinc/24/00/93/629240093.db2.gz PVPKDPDIJVPWNE-PPWQZUPISA-N 1 0 282.428 2.037 10 0 CEAERO Cc1cccc(OCCc2nc([C@H](C)C[NH3+])no2)c1 ZINC000054158566 629261820 /nfs/dbraw/zinc/26/18/20/629261820.db2.gz KSLRPQKSXNSYJR-LLVKDONJSA-N 1 0 261.325 2.062 10 0 CEAERO C[NH+](C)Cc1ccc(-c2noc([C@H]3C[C@H](F)CN3)n2)cc1 ZINC000261837000 629266808 /nfs/dbraw/zinc/26/68/08/629266808.db2.gz RPWKSJBVYMUGER-QWHCGFSZSA-N 1 0 290.342 2.171 10 0 CEAERO c1ccc(OCc2noc(CC[C@H]3CCC[NH2+]3)n2)cc1 ZINC000261850716 629280178 /nfs/dbraw/zinc/28/01/78/629280178.db2.gz WSPNYEXDDVGCOM-GFCCVEGCSA-N 1 0 273.336 2.333 10 0 CEAERO Cc1cnc([C@H](C)NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])o1 ZINC000262036535 629489743 /nfs/dbraw/zinc/48/97/43/629489743.db2.gz KPGMYYLTAKKWFW-OMXXWXSESA-N 1 0 291.395 2.314 10 0 CEAERO CC[C@H]1CC[C@H](C(=O)N[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000262278496 630598268 /nfs/dbraw/zinc/59/82/68/630598268.db2.gz UIAZBVFXNDLJGO-XDQVBPFNSA-N 1 0 252.402 2.446 10 0 CEAERO [NH3+]C[C@H]1CC(=O)Nc2ccc(Br)c(Cl)c21 ZINC000757176039 631828524 /nfs/dbraw/zinc/82/85/24/631828524.db2.gz WHNHOVPYUJMHGM-RXMQYKEDSA-N 1 0 289.560 2.487 10 0 CEAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(N(CC)CC)cc1 ZINC000757185064 631830213 /nfs/dbraw/zinc/83/02/13/631830213.db2.gz QCQQZAFIFHRAGE-CVEARBPZSA-N 1 0 290.407 2.399 10 0 CEAERO [NH3+][C@H]1CCCN(C(=O)c2ccc(Br)s2)C1 ZINC000041028137 632368144 /nfs/dbraw/zinc/36/81/44/632368144.db2.gz RXXVLNWBGGRUGH-ZETCQYMHSA-N 1 0 289.198 2.074 10 0 CEAERO [NH3+]C1(CNc2ncc(Br)cc2Cl)CC1 ZINC000900408741 633706544 /nfs/dbraw/zinc/70/65/44/633706544.db2.gz AGCHNRLSZSOUJP-UHFFFAOYSA-N 1 0 276.565 2.401 10 0 CEAERO O[C@@H](C[N@@H+]1CCC[C@@]2(CCCOC2)C1)c1cccnc1 ZINC000827963489 636472090 /nfs/dbraw/zinc/47/20/90/636472090.db2.gz MQBXGLWHWSHCSN-JKSUJKDBSA-N 1 0 276.380 2.008 10 0 CEAERO CCC[C@H](C(=O)Nc1cc(F)cc(F)c1O)[NH+](C)C ZINC000910981396 638210562 /nfs/dbraw/zinc/21/05/62/638210562.db2.gz ARMKHUZWOBJDLS-LLVKDONJSA-N 1 0 272.295 2.339 10 0 CEAERO CCN(c1cc(C)c(Br)cn1)[C@@H]1CC[NH2+]C1 ZINC000163956942 639339744 /nfs/dbraw/zinc/33/97/44/639339744.db2.gz XSBVTZOBGXJWIQ-SNVBAGLBSA-N 1 0 284.201 2.341 10 0 CEAERO CCC[NH+]1CCN(c2cncc3cccnc32)CC1 ZINC000223141192 639414800 /nfs/dbraw/zinc/41/48/00/639414800.db2.gz IIIFHWLNDGMUIV-UHFFFAOYSA-N 1 0 256.353 2.162 10 0 CEAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(C2CC2)cc1 ZINC000166567575 639468587 /nfs/dbraw/zinc/46/85/87/639468587.db2.gz CKCYORFSARLEPF-CABCVRRESA-N 1 0 259.349 2.430 10 0 CEAERO Cc1ccccc1OCC(=O)O[C@H](C)C[NH+]1CCCC1 ZINC000059095278 639559445 /nfs/dbraw/zinc/55/94/45/639559445.db2.gz HAAMIODQXKLNAS-CQSZACIVSA-N 1 0 277.364 2.401 10 0 CEAERO CCc1cc(C(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)cc(Cl)n1 ZINC000228133053 639619736 /nfs/dbraw/zinc/61/97/36/639619736.db2.gz YPLPPMJQGDGPPX-MFKMUULPSA-N 1 0 295.814 2.320 10 0 CEAERO C1CC1c1nsc(N2CCC([C@@H]3CCC[NH2+]3)CC2)n1 ZINC000087642633 639697718 /nfs/dbraw/zinc/69/77/18/639697718.db2.gz CWQBIVIVZIXHRV-LBPRGKRZSA-N 1 0 278.425 2.384 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+]CC2CC2)C1 ZINC000230168072 639742490 /nfs/dbraw/zinc/74/24/90/639742490.db2.gz DGYVWBVDBLEGNK-GFCCVEGCSA-N 1 0 254.374 2.243 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cc3ccccc3cc2N)C1 ZINC000062971963 639803606 /nfs/dbraw/zinc/80/36/06/639803606.db2.gz SITHJNLFDKSEJO-CQSZACIVSA-N 1 0 283.375 2.198 10 0 CEAERO COc1ccc(-c2nc(C[C@H]3CCC[NH2+]C3)no2)cc1F ZINC000063084443 639821987 /nfs/dbraw/zinc/82/19/87/639821987.db2.gz IPCCTCONVMDKRG-SNVBAGLBSA-N 1 0 291.326 2.426 10 0 CEAERO COc1ccc(-c2nc(C[C@@H]3CCC[NH2+]C3)no2)cc1 ZINC000063084654 639824001 /nfs/dbraw/zinc/82/40/01/639824001.db2.gz VGCIIKMXGHVOKL-NSHDSACASA-N 1 0 273.336 2.287 10 0 CEAERO Cc1cnc([C@@H](C)NC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])o1 ZINC000231742793 639876528 /nfs/dbraw/zinc/87/65/28/639876528.db2.gz KYZAOCSEGJYKKV-UTUOFQBUSA-N 1 0 265.357 2.068 10 0 CEAERO CCc1cc(NCc2ccc(CC[NH3+])cc2)nc(C)n1 ZINC000088760594 640010289 /nfs/dbraw/zinc/01/02/89/640010289.db2.gz YJBKIROVALUYPS-UHFFFAOYSA-N 1 0 270.380 2.461 10 0 CEAERO Cc1noc(C)c1CN(C)C(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089392418 640378968 /nfs/dbraw/zinc/37/89/68/640378968.db2.gz UTOIDRPIKPIYRQ-QWHCGFSZSA-N 1 0 279.384 2.015 10 0 CEAERO C[C@@H](Cc1ccccc1)C(=O)N1CCC(C[NH3+])CC1 ZINC000204166215 640411825 /nfs/dbraw/zinc/41/18/25/640411825.db2.gz CANKHDAHBKGBNN-ZDUSSCGKSA-N 1 0 260.381 2.063 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CN1C(=O)C[C@H]1c1ccccc1 ZINC000153231297 640437328 /nfs/dbraw/zinc/43/73/28/640437328.db2.gz XXSWQDIWGSINMA-OIISXLGYSA-N 1 0 299.418 2.086 10 0 CEAERO c1csc(CC[N@@H+]2CCCN(c3cccnn3)CC2)c1 ZINC000105800435 640932414 /nfs/dbraw/zinc/93/24/14/640932414.db2.gz AFTYMBJPEMSJJA-UHFFFAOYSA-N 1 0 288.420 2.293 10 0 CEAERO C[C@H](Cc1ccccc1)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000237545642 641349003 /nfs/dbraw/zinc/34/90/03/641349003.db2.gz PKFINMYOOGAUMD-UKRRQHHQSA-N 1 0 260.381 2.063 10 0 CEAERO C(c1noc([C@@H]2CCCS2)n1)[C@@H]1CCC[NH2+]C1 ZINC000070438539 641669260 /nfs/dbraw/zinc/66/92/60/641669260.db2.gz MMQNWFJRQPAVRM-UWVGGRQHSA-N 1 0 253.371 2.180 10 0 CEAERO C[NH+](C)C[C@H](NC(=O)OCC1CC1)c1ccccc1 ZINC000184320188 641853429 /nfs/dbraw/zinc/85/34/29/641853429.db2.gz CBWHVYOBNVXLGZ-AWEZNQCLSA-N 1 0 262.353 2.426 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]2CN(c3ccncc3Cl)C[C@@H]21 ZINC000230135116 642564632 /nfs/dbraw/zinc/56/46/32/642564632.db2.gz BUUOTDGUJROTHQ-JBLDHEPKSA-N 1 0 251.761 2.299 10 0 CEAERO Cc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)c2cccnc12 ZINC000111266931 643755484 /nfs/dbraw/zinc/75/54/84/643755484.db2.gz RPLUZVYTBOATDN-DGCLKSJQSA-N 1 0 269.348 2.337 10 0 CEAERO O=C(Nc1ccc(Cl)nc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000126739214 650926394 /nfs/dbraw/zinc/92/63/94/650926394.db2.gz ZWGHYSSSPVFWIU-LBPRGKRZSA-N 1 0 294.786 2.437 10 0 CEAERO C[C@H]([NH2+]CC1CC(O)C1)c1cnn(-c2ccccc2)c1 ZINC000128955642 651688064 /nfs/dbraw/zinc/68/80/64/651688064.db2.gz WYAHYYYHPUECBO-FUJMWEONSA-N 1 0 271.364 2.294 10 0 CEAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)N3CCCCC3)CC[C@@H]21 ZINC000129561360 652027825 /nfs/dbraw/zinc/02/78/25/652027825.db2.gz LEYIEPRNFNQOQD-KGLIPLIRSA-N 1 0 265.401 2.008 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)c2ccnc(C[NH3+])c2)cc1F ZINC000130414895 652253198 /nfs/dbraw/zinc/25/31/98/652253198.db2.gz FEVALJDXPPZYPL-LLVKDONJSA-N 1 0 287.338 2.479 10 0 CEAERO CC(C)CC1(C(=O)NC[C@@H]2CC[NH2+]C2)CCCC1 ZINC000133645047 652697802 /nfs/dbraw/zinc/69/78/02/652697802.db2.gz OFDYFNNOEWQDOD-CYBMUJFWSA-N 1 0 252.402 2.319 10 0 CEAERO CC(C)CNC(=S)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000134755830 652872636 /nfs/dbraw/zinc/87/26/36/652872636.db2.gz YBCCWVUGBOKHLI-CHWSQXEVSA-N 1 0 269.458 2.076 10 0 CEAERO Nc1cc(Cl)nc(N2CC[NH+](C3CCCC3)CC2)c1 ZINC000228877250 721855054 /nfs/dbraw/zinc/85/50/54/721855054.db2.gz VPDBAQXIAXVWRZ-UHFFFAOYSA-N 1 0 280.803 2.382 10 0 CEAERO C[NH2+][C@H](C[S@@](=O)c1ccccc1OC)C(C)(C)C ZINC000081999919 177916526 /nfs/dbraw/zinc/91/65/26/177916526.db2.gz XOCDNKHQSGIGPO-ACJLOTCBSA-N 1 0 269.410 2.437 10 0 CEAERO CCOc1cccc(CC[C@@H](C)N2CC[NH2+]CC2)c1 ZINC000082296869 177950932 /nfs/dbraw/zinc/95/09/32/177950932.db2.gz GFVHBKKPDOOAFJ-CQSZACIVSA-N 1 0 262.397 2.312 10 0 CEAERO Nc1cc[nH+]cc1C(=O)Nc1cc(F)c(F)cc1F ZINC000127637183 187322220 /nfs/dbraw/zinc/32/22/20/187322220.db2.gz YKHVRTCTFVFVNK-UHFFFAOYSA-N 1 0 267.210 2.333 10 0 CEAERO CC(C)c1nc(N2CCN(C)CC2)sc1C[NH2+]C1CC1 ZINC000082434893 178012256 /nfs/dbraw/zinc/01/22/56/178012256.db2.gz JDHYSZAIXYDCSD-UHFFFAOYSA-N 1 0 294.468 2.270 10 0 CEAERO O[C@H]1C[NH2+]C[C@H]1Sc1cc(Cl)ccc1Cl ZINC000082525098 178088535 /nfs/dbraw/zinc/08/85/35/178088535.db2.gz UUTHAHSWDPJFNH-WCBMZHEXSA-N 1 0 264.177 2.418 10 0 CEAERO CCCN(CC[NH3+])c1ncccc1Br ZINC000082592094 178125453 /nfs/dbraw/zinc/12/54/53/178125453.db2.gz CPTAOCOMUDWFRL-UHFFFAOYSA-N 1 0 258.163 2.019 10 0 CEAERO [NH3+][C@H](Cc1ncc[nH]1)c1sccc1Br ZINC000082613855 178126333 /nfs/dbraw/zinc/12/63/33/178126333.db2.gz VPKSVPJUUAPVIL-SSDOTTSWSA-N 1 0 272.171 2.476 10 0 CEAERO CC1(C)c2cc(C(=O)[C@H]3CCC[NH2+]C3)ccc2NC1=O ZINC000082624109 178139324 /nfs/dbraw/zinc/13/93/24/178139324.db2.gz YSHNTWIYLOXPAK-NSHDSACASA-N 1 0 272.348 2.099 10 0 CEAERO [NH3+]Cc1cnn(-c2cccc(F)c2)c1C(F)(F)F ZINC000082661952 178150010 /nfs/dbraw/zinc/15/00/10/178150010.db2.gz SKXLCKRQEFJOEQ-UHFFFAOYSA-N 1 0 259.206 2.489 10 0 CEAERO C[C@@H](Cc1cccs1)NC(=O)c1c[nH+]ccc1N ZINC000127749668 187330791 /nfs/dbraw/zinc/33/07/91/187330791.db2.gz NZCJSONRJSCIMU-VIFPVBQESA-N 1 0 261.350 2.086 10 0 CEAERO CCN(CC)[C@H](C[NH3+])c1ccc(OC)c(OC)c1 ZINC000032497124 361738707 /nfs/dbraw/zinc/73/87/07/361738707.db2.gz IUTSDFNVBHYSTK-GFCCVEGCSA-N 1 0 252.358 2.045 10 0 CEAERO Clc1ccccc1N1CCN(C[C@@H]2CCC[NH2+]2)CC1 ZINC000034940091 361798395 /nfs/dbraw/zinc/79/83/95/361798395.db2.gz YVZOBKQLCZYARB-ZDUSSCGKSA-N 1 0 279.815 2.214 10 0 CEAERO CC(C)(C[NH3+])N1CCN(c2ccccc2Cl)CC1 ZINC000034940052 361798493 /nfs/dbraw/zinc/79/84/93/361798493.db2.gz SQLJABUSQOSPNN-UHFFFAOYSA-N 1 0 267.804 2.199 10 0 CEAERO CCOCCC[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000034973345 361801652 /nfs/dbraw/zinc/80/16/52/361801652.db2.gz UOWNODDFUCFZOH-INIZCTEOSA-N 1 0 262.397 2.277 10 0 CEAERO C[S@@](=O)C[C@@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000082755576 178278705 /nfs/dbraw/zinc/27/87/05/178278705.db2.gz HYCWZCBZCYHBHZ-ABKXIKBNSA-N 1 0 251.273 2.084 10 0 CEAERO CC[C@](C)(O)C[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000123454741 365638642 /nfs/dbraw/zinc/63/86/42/365638642.db2.gz JQTDOVKSIZYGGO-AWEZNQCLSA-N 1 0 283.803 2.018 10 0 CEAERO C[C@H]([NH3+])[C@@H](CO)Sc1ccccc1Br ZINC000082987977 178332631 /nfs/dbraw/zinc/33/26/31/178332631.db2.gz TUNZOGTZZOCCOF-OIBJUYFYSA-N 1 0 276.199 2.249 10 0 CEAERO [NH3+][C@H](CCO)CSc1ccccc1Br ZINC000082988884 178332671 /nfs/dbraw/zinc/33/26/71/178332671.db2.gz AZNXOZQMBGCQRT-MRVPVSSYSA-N 1 0 276.199 2.251 10 0 CEAERO C[NH+](C)C[C@@H]1CN([C@@H]2CCCc3ccc(F)cc32)CCO1 ZINC000132683662 282128176 /nfs/dbraw/zinc/12/81/76/282128176.db2.gz FOFWBDAMACBYAP-NVXWUHKLSA-N 1 0 292.398 2.466 10 0 CEAERO C[NH2+][C@](C)(CO)CCSc1ncccc1Cl ZINC000082905468 178329620 /nfs/dbraw/zinc/32/96/20/178329620.db2.gz MLEVKERBUIOQFH-NSHDSACASA-N 1 0 260.790 2.188 10 0 CEAERO [NH3+]C[C@H](O)CCSc1cccc(Br)c1 ZINC000082916822 178329636 /nfs/dbraw/zinc/32/96/36/178329636.db2.gz YRPOUWDXYTYQLP-SECBINFHSA-N 1 0 276.199 2.251 10 0 CEAERO C[C@@H](C[C@](C)([NH3+])CO)Sc1ncccc1Cl ZINC000082905463 178329662 /nfs/dbraw/zinc/32/96/62/178329662.db2.gz YKIFWMSPWAPKFK-KWQFWETISA-N 1 0 260.790 2.315 10 0 CEAERO CCC1(C[N@@H+]2CCOC3(CCC3)C2)CCOCC1 ZINC000336588485 365684712 /nfs/dbraw/zinc/68/47/12/365684712.db2.gz PZDLWSDCMGPIBH-UHFFFAOYSA-N 1 0 253.386 2.448 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000449181899 282133816 /nfs/dbraw/zinc/13/38/16/282133816.db2.gz IZBATRSPZDNELF-XLWJZTARSA-N 1 0 264.413 2.317 10 0 CEAERO COc1cc(OC)c([C@@H](C[NH3+])C2CC2)c(OC)c1 ZINC000096890803 185123592 /nfs/dbraw/zinc/12/35/92/185123592.db2.gz RLYYBXIHGYQEHB-NSHDSACASA-N 1 0 251.326 2.165 10 0 CEAERO CC[C@H]([NH3+])[C@@H](O)c1ccc(Br)cc1F ZINC000036779256 361856208 /nfs/dbraw/zinc/85/62/08/361856208.db2.gz MBVCZYYNKRJSCG-UWVGGRQHSA-N 1 0 262.122 2.359 10 0 CEAERO C[NH2+]C[C@](C)(O)c1cc(OC)c(C(C)C)cc1OC ZINC000096889313 185124366 /nfs/dbraw/zinc/12/43/66/185124366.db2.gz VKTGNRDUVJZTCQ-HNNXBMFYSA-N 1 0 267.369 2.254 10 0 CEAERO CC(C)(C)OC(=O)N1CC[NH2+]CC[C@@H]1C(F)(F)F ZINC000096898202 185125499 /nfs/dbraw/zinc/12/54/99/185125499.db2.gz PCVXHTLYWCBKCF-MRVPVSSYSA-N 1 0 268.279 2.148 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCCC1CCCCC1 ZINC000449211056 282143264 /nfs/dbraw/zinc/14/32/64/282143264.db2.gz WVOBCMJDGLWCSB-TZMCWYRMSA-N 1 0 252.402 2.319 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000036873115 361866680 /nfs/dbraw/zinc/86/66/80/361866680.db2.gz QJHUINHBDZSVEP-OAHLLOKOSA-N 1 0 289.423 2.079 10 0 CEAERO CCOc1ccccc1[C@H](C)[NH2+]CCC(=O)OC ZINC000036891736 361867625 /nfs/dbraw/zinc/86/76/25/361867625.db2.gz VEOIHSUYFGDESZ-NSHDSACASA-N 1 0 251.326 2.299 10 0 CEAERO CC(C)(C)OC(=O)N1CCSC[C@@]12CCC[NH2+]C2 ZINC000096944268 185134643 /nfs/dbraw/zinc/13/46/43/185134643.db2.gz ZBOAHUVWKVGBOS-ZDUSSCGKSA-N 1 0 272.414 2.093 10 0 CEAERO COc1ccc(C[NH2+][C@H]2CCC[C@H](O)C2)c(OC)c1 ZINC000037164316 361902399 /nfs/dbraw/zinc/90/23/99/361902399.db2.gz KARMEDYDRYSAGM-STQMWFEESA-N 1 0 265.353 2.097 10 0 CEAERO C[C@@H]1C[NH2+]CC[C@@]12C[C@@H](O)c1ccc(F)cc1O2 ZINC000097005408 185151008 /nfs/dbraw/zinc/15/10/08/185151008.db2.gz BQRKOBKMOVAYPT-GAJTVXKRSA-N 1 0 251.301 2.010 10 0 CEAERO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1nccnc1C ZINC000621718982 349676791 /nfs/dbraw/zinc/67/67/91/349676791.db2.gz YXZHBINTGBMVQZ-GJZGRUSLSA-N 1 0 274.412 2.234 10 0 CEAERO Cc1c2c(ccc1Br)[C@]1(C[C@H]1[NH3+])CN2 ZINC000725246947 539192004 /nfs/dbraw/zinc/19/20/04/539192004.db2.gz BJXBOTUXDXXZIH-KOLCDFICSA-N 1 0 253.143 2.152 10 0 CEAERO CO[C@@H]1C[N@H+](Cc2ccc(C3CC3)cc2)C[C@H]1c1c[nH]nn1 ZINC000668579074 539203414 /nfs/dbraw/zinc/20/34/14/539203414.db2.gz QIFVDDQQAUKXAW-DOTOQJQBSA-N 1 0 298.390 2.297 10 0 CEAERO CCCNC(=O)NC[C@H]([NH3+])C1CCC(C)(C)CC1 ZINC000725254851 539200536 /nfs/dbraw/zinc/20/05/36/539200536.db2.gz GYYBTMFYEQUYEY-LBPRGKRZSA-N 1 0 255.406 2.239 10 0 CEAERO CCC[C@H](C)C(=O)N[C@H]1CC[NH2+]CC[C@@H]1C(F)(F)F ZINC000725262685 539211384 /nfs/dbraw/zinc/21/13/84/539211384.db2.gz LMILFOKAZXFQCE-DCAQKATOSA-N 1 0 280.334 2.469 10 0 CEAERO CC(C)(C)C(=O)N[C@@H]1CC[NH2+]CC[C@H]1C(F)(F)F ZINC000725262868 539211866 /nfs/dbraw/zinc/21/18/66/539211866.db2.gz PVSGNIBOOMRBCQ-RKDXNWHRSA-N 1 0 266.307 2.079 10 0 CEAERO CC(C)(C)C(=O)N[C@H]1CC[NH2+]CC[C@@H]1C(F)(F)F ZINC000725262867 539211948 /nfs/dbraw/zinc/21/19/48/539211948.db2.gz PVSGNIBOOMRBCQ-IUCAKERBSA-N 1 0 266.307 2.079 10 0 CEAERO CCCC(=O)N1CC[C@@H]2CC[C@@]21[C@H]1CCC[NH2+]C1 ZINC000725263549 539212364 /nfs/dbraw/zinc/21/23/64/539212364.db2.gz OUGMPJZKDLMURK-YDHLFZDLSA-N 1 0 250.386 2.167 10 0 CEAERO CC(C)[C@H](C)C(=O)N1CCC2(CCC[C@@H]2[NH3+])CC1 ZINC000725265165 539213013 /nfs/dbraw/zinc/21/30/13/539213013.db2.gz KNCKJBRWUUQGPK-STQMWFEESA-N 1 0 252.402 2.399 10 0 CEAERO CC1(C)C[C@H]2CC[C@@H]([NH+]3CCOCC3)[C@@H](C1)C2=O ZINC000725268253 539214279 /nfs/dbraw/zinc/21/42/79/539214279.db2.gz WRZKLHFIFHIUSX-JHJVBQTASA-N 1 0 251.370 2.103 10 0 CEAERO CC(C)[C@@H]([NH2+]Cc1ccc(F)cc1Cl)C(N)=O ZINC000136087532 539249894 /nfs/dbraw/zinc/24/98/94/539249894.db2.gz JLXGAOKMLBTZOJ-LLVKDONJSA-N 1 0 258.724 2.079 10 0 CEAERO O[C@@H]1CC[C@H]2C[N@H+](CCOCc3ccccc3)C[C@H]2C1 ZINC000398926910 539262915 /nfs/dbraw/zinc/26/29/15/539262915.db2.gz NHEGXVQDPZLGPL-GVDBMIGSSA-N 1 0 275.392 2.296 10 0 CEAERO C[C@H]1CCCCC[C@@H]1[NH2+]C1CCN(CCO)CC1 ZINC000399178804 539263841 /nfs/dbraw/zinc/26/38/41/539263841.db2.gz KSTXQPHMMIAZTE-ZFWWWQNUSA-N 1 0 254.418 2.002 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H](C)c2cccc(F)c2F)C1 ZINC000223944383 539271362 /nfs/dbraw/zinc/27/13/62/539271362.db2.gz MTQRGLHKUZIHAI-NWDGAFQWSA-N 1 0 284.350 2.336 10 0 CEAERO CCC[C@@H]1C[C@@H]1NC(=O)c1cccc2c1CC[NH2+]C2 ZINC000300587390 539279003 /nfs/dbraw/zinc/27/90/03/539279003.db2.gz PYHVGDZVNHWXHG-ABAIWWIYSA-N 1 0 258.365 2.251 10 0 CEAERO COc1cc(OC)cc(-c2ncc(C[NH3+])s2)c1 ZINC000040996822 362011157 /nfs/dbraw/zinc/01/11/57/362011157.db2.gz SVSFNNHJMSNYRB-UHFFFAOYSA-N 1 0 250.323 2.286 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CN(CC)CCO2)C12CCCC2 ZINC000225808003 539284201 /nfs/dbraw/zinc/28/42/01/539284201.db2.gz SCFUYRCKBXLULG-BZUAXINKSA-N 1 0 296.455 2.035 10 0 CEAERO C[C@H]1CN(C(=O)C2(c3ccccc3)CCCC2)C[C@@H]1[NH3+] ZINC000335483051 290681283 /nfs/dbraw/zinc/68/12/83/290681283.db2.gz IYRMEKRSQGBOGH-ZFWWWQNUSA-N 1 0 272.392 2.304 10 0 CEAERO O[C@@H](COCCCc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000034246862 343419373 /nfs/dbraw/zinc/41/93/73/343419373.db2.gz PAWPHGFYSPEYBZ-HOTGVXAUSA-N 1 0 263.381 2.139 10 0 CEAERO CCCNc1cccnc1N(CC)C1CC[NH2+]CC1 ZINC000034508787 343420008 /nfs/dbraw/zinc/42/00/08/343420008.db2.gz RRNUJOVAKTYLIJ-UHFFFAOYSA-N 1 0 262.401 2.482 10 0 CEAERO Cc1cc(C)cc(OC[C@@H](O)C[NH2+][C@H](CO)CC(C)C)c1 ZINC000040776861 343438522 /nfs/dbraw/zinc/43/85/22/343438522.db2.gz HVDRHTNQGWYWGF-HOTGVXAUSA-N 1 0 295.423 2.040 10 0 CEAERO COc1cc(C[NH2+][C@H]2CCC[C@@H](O)C2)cc(OC)c1 ZINC000037166293 343426140 /nfs/dbraw/zinc/42/61/40/343426140.db2.gz GENFFKDUGGLNKF-QWHCGFSZSA-N 1 0 265.353 2.097 10 0 CEAERO Cc1cc(C(=O)N2CCCC[C@H]2C[NH3+])c(C)s1 ZINC000237685245 539311086 /nfs/dbraw/zinc/31/10/86/539311086.db2.gz PGWFPYVQKWJXHD-NSHDSACASA-N 1 0 252.383 2.318 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N(C)Cc1ccc(OC)c(OC)c1 ZINC000037798716 343430810 /nfs/dbraw/zinc/43/08/10/343430810.db2.gz DHKBQPIQHSRKNH-IAQYHMDHSA-N 1 0 294.395 2.036 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000037803944 343431384 /nfs/dbraw/zinc/43/13/84/343431384.db2.gz CMKLLOJFTNFESF-MEDUHNTESA-N 1 0 285.391 2.426 10 0 CEAERO O[C@@]1(Cc2cc(Br)cs2)CCC[NH2+]C1 ZINC000083504314 178534675 /nfs/dbraw/zinc/53/46/75/178534675.db2.gz CZWIIYCYGHYOCA-SNVBAGLBSA-N 1 0 276.199 2.168 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1C(=O)c1cc2ccccc2[nH]1 ZINC000044540980 343474314 /nfs/dbraw/zinc/47/43/14/343474314.db2.gz OSMLRKPSEDTBOJ-LBPRGKRZSA-N 1 0 257.337 2.121 10 0 CEAERO O=C(COc1ccccc1)NCCCC[NH+]1CCCC1 ZINC000044456104 343472213 /nfs/dbraw/zinc/47/22/13/343472213.db2.gz FKAGCEAPKFDIPS-UHFFFAOYSA-N 1 0 276.380 2.058 10 0 CEAERO CCOc1cccc(CNC(=O)C[C@@H]2CCC[NH2+]C2)c1 ZINC000054307507 343587200 /nfs/dbraw/zinc/58/72/00/343587200.db2.gz VBGFARAYWAVJPX-AWEZNQCLSA-N 1 0 276.380 2.091 10 0 CEAERO O[C@@H]1CCC[C@H]1[N@@H+]1CCCN(Cc2ccccc2)CC1 ZINC000306387604 539327748 /nfs/dbraw/zinc/32/77/48/539327748.db2.gz ZWLRWIJKWRFQAC-IAGOWNOFSA-N 1 0 274.408 2.108 10 0 CEAERO Cc1ccc(OCCN(C)C(=O)C[C@H]2CCC[NH2+]C2)cc1 ZINC000054307750 343587293 /nfs/dbraw/zinc/58/72/93/343587293.db2.gz HUEMTRJTUILWHF-OAHLLOKOSA-N 1 0 290.407 2.222 10 0 CEAERO Cc1ccccc1C[C@@H](C)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054307595 343587401 /nfs/dbraw/zinc/58/74/01/343587401.db2.gz IFVVJPQUQSZLCT-HUUCEWRRSA-N 1 0 274.408 2.432 10 0 CEAERO [NH3+]C[C@H](O)c1ccc(Br)c(Cl)c1 ZINC000059700152 343653771 /nfs/dbraw/zinc/65/37/71/343653771.db2.gz RASNERKCLCOQQP-QMMMGPOBSA-N 1 0 250.523 2.095 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](c2nc(Cc3ccccc3C)no2)C1 ZINC000043560218 539346531 /nfs/dbraw/zinc/34/65/31/539346531.db2.gz SHAGZOYYUXHMQU-CHWSQXEVSA-N 1 0 273.336 2.018 10 0 CEAERO Cc1nn(C)cc1[C@H](C)[NH2+][C@H](CC(C)C)CN(C)C ZINC000087408817 282301787 /nfs/dbraw/zinc/30/17/87/282301787.db2.gz LKQKDWMCWDZXRL-GXTWGEPZSA-N 1 0 266.433 2.355 10 0 CEAERO CN(CC[N@H+](CCCCO)C1CC1)Cc1ccc(F)cc1 ZINC000173217161 529904609 /nfs/dbraw/zinc/90/46/09/529904609.db2.gz ZSUNNFOLLRZWNY-UHFFFAOYSA-N 1 0 294.414 2.494 10 0 CEAERO CCC(O)(CC)C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000168319079 282311188 /nfs/dbraw/zinc/31/11/88/282311188.db2.gz CGNDHEOYCVSKGS-MJBXVCDLSA-N 1 0 255.402 2.163 10 0 CEAERO CCn1nccc1C[NH+]1CCC(c2ccnn2C)CC1 ZINC000128170839 187355554 /nfs/dbraw/zinc/35/55/54/187355554.db2.gz XDFQAEABUQHVCP-UHFFFAOYSA-N 1 0 273.384 2.016 10 0 CEAERO C[NH2+][C@H](C)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000048322738 362254804 /nfs/dbraw/zinc/25/48/04/362254804.db2.gz FPMUCNWFHFWQHT-ZCFIWIBFSA-N 1 0 278.686 2.488 10 0 CEAERO COc1ccc(NC(=O)c2c[nH+]ccc2N)cc1F ZINC000127153709 187286692 /nfs/dbraw/zinc/28/66/92/187286692.db2.gz OOJRBUKTRNAPJS-UHFFFAOYSA-N 1 0 261.256 2.064 10 0 CEAERO CC(C)[NH+]1CCN(c2ncc(-c3ccncc3)cn2)CC1 ZINC000088343370 344108881 /nfs/dbraw/zinc/10/88/81/344108881.db2.gz DBFATCJBMBGZPI-UHFFFAOYSA-N 1 0 283.379 2.069 10 0 CEAERO Cc1noc(-c2ccnc(NC[C@@H](C3CC3)[NH+](C)C)c2)n1 ZINC000091481356 344164890 /nfs/dbraw/zinc/16/48/90/344164890.db2.gz DVDAMPSMCYUVGX-ZDUSSCGKSA-N 1 0 287.367 2.192 10 0 CEAERO COc1cc2c(cc1C[NH2+]C[C@@H]1CCC[C@@H]1O)O[C@@H](C)C2 ZINC000097604816 344245831 /nfs/dbraw/zinc/24/58/31/344245831.db2.gz WLJQSDCFEJOEEE-HUBLWGQQSA-N 1 0 291.391 2.269 10 0 CEAERO CCOC(=O)[C@](N)(CC)Cc1c[nH]c2ccc(OC)cc12 ZINC000115470531 344283330 /nfs/dbraw/zinc/28/33/30/344283330.db2.gz XOMULDHUSXCCCD-INIZCTEOSA-N 1 0 290.363 2.390 10 0 CEAERO C[NH2+][C@H](CCNC(=O)c1cccc(C)n1)Cc1ccccc1 ZINC000117886170 344290456 /nfs/dbraw/zinc/29/04/56/344290456.db2.gz NNUURKZYEOMBQD-MRXNPFEDSA-N 1 0 297.402 2.341 10 0 CEAERO CSCCCCNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000125994557 344321298 /nfs/dbraw/zinc/32/12/98/344321298.db2.gz LZSJCKZRVAUPJD-HNNXBMFYSA-N 1 0 294.464 2.419 10 0 CEAERO CC(C)(C)OC(=O)Nc1ccc(F)cc1C(N)=[NH2+] ZINC000131950923 344360956 /nfs/dbraw/zinc/36/09/56/344360956.db2.gz MDNHENACBSXWPQ-UHFFFAOYSA-N 1 0 253.277 2.457 10 0 CEAERO C[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1C)c1ccc(F)c(F)c1 ZINC000139232597 344393011 /nfs/dbraw/zinc/39/30/11/344393011.db2.gz RDPZKXDYIINIOF-CMPLNLGQSA-N 1 0 297.349 2.419 10 0 CEAERO CC[NH+](CC)CC[C@H](C)NS(=O)(=O)c1ccccc1 ZINC000141502533 344401578 /nfs/dbraw/zinc/40/15/78/344401578.db2.gz JULUJICFQAOLDA-ZDUSSCGKSA-N 1 0 284.425 2.085 10 0 CEAERO O=C(CCc1cccnc1)N1CCC([NH+]2CCCC2)CC1 ZINC000144418462 344407129 /nfs/dbraw/zinc/40/71/29/344407129.db2.gz XGYINPXXVOFTPE-UHFFFAOYSA-N 1 0 287.407 2.101 10 0 CEAERO CC(C)C(=O)Nc1cc(C2CC[NH2+]CC2)ccc1O ZINC000148812950 344414569 /nfs/dbraw/zinc/41/45/69/344414569.db2.gz AYXHZCOKAIGLCR-UHFFFAOYSA-N 1 0 262.353 2.454 10 0 CEAERO [NH3+]C[C@H]1CCCN1C(=O)CCCc1c[nH]c2ccccc12 ZINC000156075319 344441074 /nfs/dbraw/zinc/44/10/74/344441074.db2.gz GMMBKXIVFRSNKC-CQSZACIVSA-N 1 0 285.391 2.440 10 0 CEAERO COc1cc2c(cc1CN1CCCC[C@@H]1C[NH3+])O[C@@H](C)C2 ZINC000159091235 344453379 /nfs/dbraw/zinc/45/33/79/344453379.db2.gz ITHHJSGSOVPWIG-SWLSCSKDSA-N 1 0 290.407 2.332 10 0 CEAERO CN(C)[C@H](C[NH3+])c1ccc(Br)c(F)c1 ZINC000161345184 344463481 /nfs/dbraw/zinc/46/34/81/344463481.db2.gz LCEXQKHCKADNNU-SNVBAGLBSA-N 1 0 261.138 2.150 10 0 CEAERO CCC1(Cc2ccc(Br)cn2)C[NH2+]C1 ZINC000161894818 344465769 /nfs/dbraw/zinc/46/57/69/344465769.db2.gz HYWHIRXZRNXIJC-UHFFFAOYSA-N 1 0 255.159 2.386 10 0 CEAERO Oc1ccc(C[C@H]2CN(Cc3ccccc3)CC[NH2+]2)cc1 ZINC000166506610 344476398 /nfs/dbraw/zinc/47/63/98/344476398.db2.gz QUXNYTQAFRVPTL-KRWDZBQOSA-N 1 0 282.387 2.409 10 0 CEAERO O[C@H]1CC[NH2+]C[C@@H]1Cc1cc(Br)cs1 ZINC000168240963 344479918 /nfs/dbraw/zinc/47/99/18/344479918.db2.gz BQHNASNPSKPEOY-XVKPBYJWSA-N 1 0 276.199 2.024 10 0 CEAERO C[C@@H]1CCC[C@H](NC(=O)N2CC[C@H]([NH+](C)C)C2)[C@@H]1C ZINC000170862014 344491679 /nfs/dbraw/zinc/49/16/79/344491679.db2.gz OMZLWICSKRVVHU-MQYQWHSLSA-N 1 0 267.417 2.157 10 0 CEAERO C[C@](O)(C[C@H]1CCCC[NH2+]1)C(F)(F)Br ZINC000225664761 344547418 /nfs/dbraw/zinc/54/74/18/344547418.db2.gz RPLMUNUGPWJVLG-SFYZADRCSA-N 1 0 272.133 2.257 10 0 CEAERO COc1cccc([C@H](C[NH2+][C@@H]2CCCC[C@H]2O)N(C)C)c1 ZINC000226225535 344548360 /nfs/dbraw/zinc/54/83/60/344548360.db2.gz FIUZDKLIPQQODD-IXDOHACOSA-N 1 0 292.423 2.191 10 0 CEAERO Cc1ccccc1-c1noc(C[N@@H+]2CC[C@@H](CCO)C2)n1 ZINC000227572769 344554821 /nfs/dbraw/zinc/55/48/21/344554821.db2.gz HMLKFHYCQLAFSD-ZDUSSCGKSA-N 1 0 287.363 2.249 10 0 CEAERO COC(=O)[C@@H](C)C[N@H+](C)Cc1ccc2ccccc2n1 ZINC000050068927 362398471 /nfs/dbraw/zinc/39/84/71/362398471.db2.gz XVMYKXMRFDAVJN-LBPRGKRZSA-N 1 0 272.348 2.476 10 0 CEAERO CCS(=O)(=O)c1ccccc1N[C@H](C)C[C@@H](C)[NH3+] ZINC000228267725 344559908 /nfs/dbraw/zinc/55/99/08/344559908.db2.gz ABBYILZJEAALKD-GHMZBOCLSA-N 1 0 270.398 2.018 10 0 CEAERO C[C@@H](c1ccc(Br)o1)N1CC[C@@H]([NH3+])C1 ZINC000228804108 344563531 /nfs/dbraw/zinc/56/35/31/344563531.db2.gz MBZQGSLDZOXJJW-JGVFFNPUSA-N 1 0 259.147 2.136 10 0 CEAERO O[C@H](C[NH+]1CCC(O)CC1)c1cccc(C(F)(F)F)c1 ZINC000051590131 362432550 /nfs/dbraw/zinc/43/25/50/362432550.db2.gz BMTBHPOZDWZHET-CYBMUJFWSA-N 1 0 289.297 2.196 10 0 CEAERO CCCCOC[C@H](O)C[NH2+]CC1(SC)CCC1 ZINC000232999499 344581302 /nfs/dbraw/zinc/58/13/02/344581302.db2.gz BHURQRRNYTZBPZ-GFCCVEGCSA-N 1 0 261.431 2.039 10 0 CEAERO C[C@@H](C[NH3+])Nc1cc(Br)cnc1Cl ZINC000235104364 344589066 /nfs/dbraw/zinc/58/90/66/344589066.db2.gz ZLJFBHLZNTXNAK-YFKPBYRVSA-N 1 0 264.554 2.257 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCCNC1=O)c1cccc(Cl)c1 ZINC000050394233 362417827 /nfs/dbraw/zinc/41/78/27/362417827.db2.gz NQQGHRBYMMGCFK-JOYOIKCWSA-N 1 0 252.745 2.269 10 0 CEAERO CCNC(=[NH2+])Nc1ccccc1I ZINC000052069081 362463306 /nfs/dbraw/zinc/46/33/06/362463306.db2.gz WJOMMSHVDXQUFJ-UHFFFAOYSA-N 1 0 289.120 2.247 10 0 CEAERO CN(C(=O)C[N@@H+]1CCC[C@H]1CCCO)C1CCCCC1 ZINC000052762716 362473292 /nfs/dbraw/zinc/47/32/92/362473292.db2.gz ZMZMYAPDZDBGKB-HNNXBMFYSA-N 1 0 282.428 2.014 10 0 CEAERO COC(=O)c1ccc(Br)cc1[C@@H](C)[NH3+] ZINC000238380564 344606797 /nfs/dbraw/zinc/60/67/97/344606797.db2.gz FKTRZVMYEOVEOF-ZCFIWIBFSA-N 1 0 258.115 2.255 10 0 CEAERO [NH3+]Cc1cc(Br)cnc1OC(F)(F)F ZINC000238630422 344607114 /nfs/dbraw/zinc/60/71/14/344607114.db2.gz MWLJUFNDSSIDNQ-UHFFFAOYSA-N 1 0 271.036 2.201 10 0 CEAERO COC(=O)c1csc(C[NH2+][C@H](C)[C@@H]2CCCO2)c1 ZINC000602510025 347061931 /nfs/dbraw/zinc/06/19/31/347061931.db2.gz IJZCSIIFGHGRBV-SKDRFNHKSA-N 1 0 269.366 2.192 10 0 CEAERO CC(C)(C)OC[C@@H](O)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000248502546 344623202 /nfs/dbraw/zinc/62/32/02/344623202.db2.gz ZNXGNRVVFZBMQU-MNOVXSKESA-N 1 0 283.334 2.437 10 0 CEAERO CCc1nnc(C[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)n1C ZINC000248540099 344623228 /nfs/dbraw/zinc/62/32/28/344623228.db2.gz BBUYUJBONCLWTI-YABSGUDNSA-N 1 0 250.390 2.292 10 0 CEAERO CC[C@@H](C)[N@H+](CC)Cc1ncccc1C(=O)OC ZINC000302263776 344703112 /nfs/dbraw/zinc/70/31/12/344703112.db2.gz CCGQQPISMVPHDK-LLVKDONJSA-N 1 0 250.342 2.489 10 0 CEAERO C[C@H]1CCS[C@]2(CCN(C(=O)OC(C)(C)C)C2)[NH2+]1 ZINC000306580343 344714632 /nfs/dbraw/zinc/71/46/32/344714632.db2.gz NSMYOQFLBWFDLR-GWCFXTLKSA-N 1 0 272.414 2.439 10 0 CEAERO C[C@H](O)[C@](C)(C[NH3+])Cc1cc(F)ccc1Br ZINC000083777552 178746013 /nfs/dbraw/zinc/74/60/13/178746013.db2.gz HCRTWQDMWGOXNT-UFBFGSQYSA-N 1 0 290.176 2.477 10 0 CEAERO N#Cc1cc(Br)cnc1NC[C@@H]1CCCC[NH2+]1 ZINC000383330731 344827014 /nfs/dbraw/zinc/82/70/14/344827014.db2.gz GSTCTIZMSLEFJQ-NSHDSACASA-N 1 0 295.184 2.270 10 0 CEAERO COc1cc(N[C@H](CC[NH3+])C(F)F)c([N+](=O)[O-])cc1C ZINC000383275924 344827102 /nfs/dbraw/zinc/82/71/02/344827102.db2.gz INAMEUWRSNJFOF-MRVPVSSYSA-N 1 0 289.282 2.306 10 0 CEAERO CCOC(=O)CC[C@@H](O)C[NH2+]C1CCC(CC)CC1 ZINC000385434739 344830125 /nfs/dbraw/zinc/83/01/25/344830125.db2.gz OMQCGYAJDKJOFT-JXQTWKCFSA-N 1 0 271.401 2.249 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)NC[C@H]1CC2CCC1CC2 ZINC000400134148 344860800 /nfs/dbraw/zinc/86/08/00/344860800.db2.gz WLDASAJTVRHNPV-OOJKYFRXSA-N 1 0 264.413 2.319 10 0 CEAERO C[C@]1(C(=O)NC[C@@H]2CC3CCC2CC3)CCCC[NH2+]1 ZINC000400130400 344860917 /nfs/dbraw/zinc/86/09/17/344860917.db2.gz URPTWMSWWCDTDV-VKJZCYHPSA-N 1 0 264.413 2.461 10 0 CEAERO NC(=O)[C@H]([NH3+])CCSc1ccc(Cl)c(Cl)c1 ZINC000083867613 178755297 /nfs/dbraw/zinc/75/52/97/178755297.db2.gz YFGNRTBREFSFPR-SECBINFHSA-N 1 0 279.192 2.288 10 0 CEAERO C[C@@H]1CC(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)C[C@@H](C)O1 ZINC000668101319 539415518 /nfs/dbraw/zinc/41/55/18/539415518.db2.gz NJGIWGDJJURZIG-FIXIBIHLSA-N 1 0 253.386 2.347 10 0 CEAERO CCOC(=O)[C@@H](CC)Oc1ccc(C[NH3+])cc1OCC ZINC000084097815 178788323 /nfs/dbraw/zinc/78/83/23/178788323.db2.gz YWXUUQNXVVTRFV-GFCCVEGCSA-N 1 0 281.352 2.265 10 0 CEAERO C[C@]1(Nc2ncc(C(F)(F)F)cn2)CCC[C@@H]1[NH3+] ZINC000584614494 344965363 /nfs/dbraw/zinc/96/53/63/344965363.db2.gz SZJNKKUDYWPWKO-WPRPVWTQSA-N 1 0 260.263 2.177 10 0 CEAERO C[NH+](C)CC[C@]1(O)c2ccccc2Oc2cccnc21 ZINC000584615753 344965722 /nfs/dbraw/zinc/96/57/22/344965722.db2.gz RBTZHSVPFKABPO-INIZCTEOSA-N 1 0 270.332 2.375 10 0 CEAERO CC1([NH3+])CCN(c2cnc(C3=CCCCC3)c(N)n2)CC1 ZINC000584628249 344968835 /nfs/dbraw/zinc/96/88/35/344968835.db2.gz HGRPCZNNVIXVHE-UHFFFAOYSA-N 1 0 287.411 2.334 10 0 CEAERO OC[C@@H]1C[C@]2(C[N@@H+]1Cc1ccccc1)CCCOC2 ZINC000584640410 344972073 /nfs/dbraw/zinc/97/20/73/344972073.db2.gz CQWFIDGACYHELK-HOTGVXAUSA-N 1 0 261.365 2.050 10 0 CEAERO CCOC(=O)[C@H](CC)Oc1cccc(C[C@H](C)[NH3+])c1 ZINC000084105910 178792840 /nfs/dbraw/zinc/79/28/40/178792840.db2.gz OGRQOIVIJRPRLN-FZMZJTMJSA-N 1 0 265.353 2.297 10 0 CEAERO CCC[NH2+]CCc1nnc(-c2cscn2)s1 ZINC000084121081 178797406 /nfs/dbraw/zinc/79/74/06/178797406.db2.gz NGOOAEHLLIFXPN-UHFFFAOYSA-N 1 0 254.384 2.204 10 0 CEAERO C[NH2+][C@H](C)c1cccc(SCCS(C)(=O)=O)c1 ZINC000084123547 178797993 /nfs/dbraw/zinc/79/79/93/178797993.db2.gz HCXUCWLOCWGEPL-SNVBAGLBSA-N 1 0 273.423 2.104 10 0 CEAERO OC[C@]1(C[C@@H]2CO2)CCC[N@H+](Cc2ccccc2)C1 ZINC000584882608 344996189 /nfs/dbraw/zinc/99/61/89/344996189.db2.gz RGFAXADQLOUVQL-CVEARBPZSA-N 1 0 261.365 2.050 10 0 CEAERO Cc1ccc2c(N)c(N)c[nH+]c2c1Br ZINC000584882115 344996302 /nfs/dbraw/zinc/99/63/02/344996302.db2.gz NDFFXUALWORUTI-UHFFFAOYSA-N 1 0 252.115 2.470 10 0 CEAERO C[NH2+][C@H](C)C(=O)N[C@H](C)c1ccccc1OC(F)F ZINC000054074039 362508665 /nfs/dbraw/zinc/50/86/65/362508665.db2.gz RYFWPVXHFDAGCX-RKDXNWHRSA-N 1 0 272.295 2.073 10 0 CEAERO CN(C(=O)C[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000054292492 362523218 /nfs/dbraw/zinc/52/32/18/362523218.db2.gz YFJIGQNSFVNWEH-NSHDSACASA-N 1 0 250.317 2.178 10 0 CEAERO CCc1ccccc1CNC(=O)C[C@H]1CCCC[NH2+]1 ZINC000084204423 178823819 /nfs/dbraw/zinc/82/38/19/178823819.db2.gz HKKKSEPGPGEJJY-OAHLLOKOSA-N 1 0 260.381 2.397 10 0 CEAERO CCc1cc2c(ncnc2N2CC[C@@H]([C@@H](C)[NH3+])C2)s1 ZINC000127365011 187300629 /nfs/dbraw/zinc/30/06/29/187300629.db2.gz BUDPEZZVACIEDN-NXEZZACHSA-N 1 0 276.409 2.427 10 0 CEAERO C[C@@H]1CC[C@H](C[NH3+])[C@H](S(=O)(=O)c2ccccc2F)C1 ZINC000084268620 178836185 /nfs/dbraw/zinc/83/61/85/178836185.db2.gz SXOPLHXGDRKTOE-JTNHKYCSSA-N 1 0 285.384 2.363 10 0 CEAERO CCOc1ccc([C@H]([NH2+]C)c2cnc(C)cn2)cc1 ZINC000097075415 185522352 /nfs/dbraw/zinc/52/23/52/185522352.db2.gz XUGBIGQOXWMCKR-HNNXBMFYSA-N 1 0 257.337 2.493 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)CSCc1ccc(F)cc1 ZINC000591583174 345266783 /nfs/dbraw/zinc/26/67/83/345266783.db2.gz IRKQNQLWDCXXBG-GXFFZTMASA-N 1 0 282.384 2.007 10 0 CEAERO CCCN[C@](C)(C[C@@H](C)[NH+](CCC)CCC)C(N)=O ZINC000084302484 178851331 /nfs/dbraw/zinc/85/13/31/178851331.db2.gz WZJPXKFIBDCHKJ-UKRRQHHQSA-N 1 0 271.449 2.131 10 0 CEAERO C[NH2+][C@](C)(C[C@H](C)SCC1CCCC1)C(N)=O ZINC000084354252 178866167 /nfs/dbraw/zinc/86/61/67/178866167.db2.gz JRQJRXUTJCVBOG-GXFFZTMASA-N 1 0 258.431 2.152 10 0 CEAERO C[C@@H](C[C@](C)([NH3+])C(N)=O)S[C@@H]1CCC[C@@H](C)C1 ZINC000084352798 178864895 /nfs/dbraw/zinc/86/48/95/178864895.db2.gz XWHMXDJVZVSGEZ-XZUYRWCXSA-N 1 0 258.431 2.280 10 0 CEAERO Cc1nn(C(C)C)c(NCC(C)(C)[NH+](C)C)c1N ZINC000097145141 185548572 /nfs/dbraw/zinc/54/85/72/185548572.db2.gz DSNBVRDGEDZHTP-UHFFFAOYSA-N 1 0 253.394 2.107 10 0 CEAERO CCOC(=O)CC1([NH+]2CCOCC2)C[C@@H](C)C[C@H](C)C1 ZINC000084474799 178893943 /nfs/dbraw/zinc/89/39/43/178893943.db2.gz DOQTVZBMGLNOSV-KBPBESRZSA-N 1 0 283.412 2.467 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]CCSCCCO)c1C ZINC000151235564 232216143 /nfs/dbraw/zinc/21/61/43/232216143.db2.gz XSLXDNSLSKODEH-NSHDSACASA-N 1 0 285.457 2.286 10 0 CEAERO CCC[NH2+]C[C@@](C)(O)Cc1ncc(C)c(OC)c1C ZINC000097210115 185564994 /nfs/dbraw/zinc/56/49/94/185564994.db2.gz BFNSWQGVKOOIDY-HNNXBMFYSA-N 1 0 266.385 2.000 10 0 CEAERO CCC[NH2+][C@H](CCCS(=O)(=O)CC)CC[C@H](C)OC ZINC000097217592 185567021 /nfs/dbraw/zinc/56/70/21/185567021.db2.gz RSFRXTJXGISZAE-UONOGXRCSA-N 1 0 293.473 2.385 10 0 CEAERO C[C@@H]1CC[C@H](C(=O)NCCC[N@H+](C)C2CCCCC2)O1 ZINC000128243183 187359523 /nfs/dbraw/zinc/35/95/23/187359523.db2.gz RPPIZLCZKOQODV-UKRRQHHQSA-N 1 0 282.428 2.325 10 0 CEAERO CCn1nc(C)cc1C[C@@H]([NH3+])CCc1ccccn1 ZINC000097281635 185579020 /nfs/dbraw/zinc/57/90/20/185579020.db2.gz DDRTZLVYLIPPGO-ZDUSSCGKSA-N 1 0 258.369 2.109 10 0 CEAERO CCCn1ncnc1C[C@@H](CC1CCSCC1)[NH2+]C ZINC000097281958 185579178 /nfs/dbraw/zinc/57/91/78/185579178.db2.gz WAKBGZMNZYNSEN-CYBMUJFWSA-N 1 0 282.457 2.352 10 0 CEAERO CCn1nc(C)c(Cl)c1C[C@H]([NH2+]C)c1cc(C)nn1C ZINC000097276646 185576323 /nfs/dbraw/zinc/57/63/23/185576323.db2.gz GJGDYKKKEXVYLF-NSHDSACASA-N 1 0 295.818 2.410 10 0 CEAERO COC[C@H](C)N(C)[C@@H](C[NH3+])c1cc2ccccc2o1 ZINC000068811579 522594960 /nfs/dbraw/zinc/59/49/60/522594960.db2.gz OOKQXEAXAVBACQ-AAEUAGOBSA-N 1 0 262.353 2.399 10 0 CEAERO [NH3+][C@H](C[C@H]1CCS(=O)(=O)C1)c1ccc2ncccc2c1 ZINC000097344141 185587591 /nfs/dbraw/zinc/58/75/91/185587591.db2.gz DEQRYXYKIVJQCM-BXUZGUMPSA-N 1 0 290.388 2.059 10 0 CEAERO C[NH2+][C@H](COc1cccc(Cl)c1)Cc1ccn(C)n1 ZINC000097353325 185588013 /nfs/dbraw/zinc/58/80/13/185588013.db2.gz DAHJVRPIKNRQCE-ZDUSSCGKSA-N 1 0 279.771 2.283 10 0 CEAERO CC(C)Oc1ccc([C@](C)(CCO)[C@H](C)[NH3+])cc1 ZINC000097435089 185602820 /nfs/dbraw/zinc/60/28/20/185602820.db2.gz UIQXFQRBUBGGPR-SWLSCSKDSA-N 1 0 251.370 2.461 10 0 CEAERO CC[C@@](C[NH3+])(CCO)c1ccc(Br)cc1 ZINC000085118647 178951469 /nfs/dbraw/zinc/95/14/69/178951469.db2.gz URNWLPNAUURKQL-LBPRGKRZSA-N 1 0 272.186 2.438 10 0 CEAERO CC[C@H]([NH3+])[C@@](C)(CC(=O)OC)c1ccccc1OC ZINC000097432444 185602126 /nfs/dbraw/zinc/60/21/26/185602126.db2.gz AEKVKJPCAACAGZ-ZFWWWQNUSA-N 1 0 265.353 2.253 10 0 CEAERO CC(C)([NH3+])[C@H](O)c1cc(Br)ccc1F ZINC000085071700 178947975 /nfs/dbraw/zinc/94/79/75/178947975.db2.gz JAMFWORANIFTCA-SECBINFHSA-N 1 0 262.122 2.359 10 0 CEAERO CC[C@H]([NH3+])[C@](C)(CC(=O)OC)c1ccc2c(c1)OCCO2 ZINC000097432040 185602361 /nfs/dbraw/zinc/60/23/61/185602361.db2.gz DQAQJHTZQIKNDG-GOEBONIOSA-N 1 0 293.363 2.016 10 0 CEAERO [NH3+][C@H](C[C@H]1CCS(=O)(=O)C1)c1ccc(OC2CC2)cc1 ZINC000097454104 185610083 /nfs/dbraw/zinc/61/00/83/185610083.db2.gz BSJVVUYSVZYKQB-IAQYHMDHSA-N 1 0 295.404 2.052 10 0 CEAERO Cc1ccc(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)s1 ZINC000175779198 232318212 /nfs/dbraw/zinc/31/82/12/232318212.db2.gz AYWIERAHPMGVSM-LBPRGKRZSA-N 1 0 297.424 2.025 10 0 CEAERO CC[NH2+]C1CCN(Cc2ccn(C(C)C)n2)CC1 ZINC000085160579 178960192 /nfs/dbraw/zinc/96/01/92/178960192.db2.gz TZDIQJBELJZLLS-UHFFFAOYSA-N 1 0 250.390 2.038 10 0 CEAERO Fc1ccc2oc(CCOC3CC[NH2+]CC3)nc2c1 ZINC000085202987 178971026 /nfs/dbraw/zinc/97/10/26/178971026.db2.gz RWKZMLYTPFWYAI-UHFFFAOYSA-N 1 0 264.300 2.278 10 0 CEAERO CCC[NH2+][C@H](CO)CCN1c2ccccc2C[C@@H]1C ZINC000085215760 178979398 /nfs/dbraw/zinc/97/93/98/178979398.db2.gz DARSJPQRZBSWLC-ZFWWWQNUSA-N 1 0 262.397 2.188 10 0 CEAERO C[C@H]1C[C@@](C[NH3+])(N2CCN(C)c3ccccc32)CS1 ZINC000094473744 136513399 /nfs/dbraw/zinc/51/33/99/136513399.db2.gz GDACTECFWCBSSN-WFASDCNBSA-N 1 0 277.437 2.166 10 0 CEAERO CC[NH+](CC)C(C)(C)[C@H](Cc1ccccc1F)NN ZINC000097580771 185630026 /nfs/dbraw/zinc/63/00/26/185630026.db2.gz MELCMCSGJGVTTC-AWEZNQCLSA-N 1 0 267.392 2.321 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@H](NN)c1cncc(F)c1 ZINC000097584050 185630766 /nfs/dbraw/zinc/63/07/66/185630766.db2.gz DDKSJQZQOKJHOJ-ZIAGYGMSSA-N 1 0 268.380 2.236 10 0 CEAERO C[NH+](C)C1([C@H](NN)[C@@H]2CC(C)(C)OC2(C)C)CCCC1 ZINC000097587754 185633823 /nfs/dbraw/zinc/63/38/23/185633823.db2.gz OPONMTGTWIATGD-QWHCGFSZSA-N 1 0 283.460 2.286 10 0 CEAERO CCCCN(CC[C@@H](CO)[NH2+]C)c1ccccc1 ZINC000085261862 178991976 /nfs/dbraw/zinc/99/19/76/178991976.db2.gz YPPXPAUAZCJHDL-AWEZNQCLSA-N 1 0 250.386 2.264 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)CCOc1ccc(F)cc1F ZINC000085283080 179000629 /nfs/dbraw/zinc/00/06/29/179000629.db2.gz LNYDMMKTYOLACP-AWEZNQCLSA-N 1 0 273.323 2.483 10 0 CEAERO Cc1ccc(OCC[C@@H]([NH3+])CO)c(C(C)(C)C)c1 ZINC000085283157 179000657 /nfs/dbraw/zinc/00/06/57/179000657.db2.gz ZXWBXERAWGUCFX-GFCCVEGCSA-N 1 0 251.370 2.381 10 0 CEAERO CCOc1ccc(OCC[C@@H](CO)[NH2+]C(C)C)cc1 ZINC000085283370 179001557 /nfs/dbraw/zinc/00/15/57/179001557.db2.gz SXFYTXYEOHUNJE-ZDUSSCGKSA-N 1 0 267.369 2.213 10 0 CEAERO CCOc1ccccc1O[C@@H](C)C[C@](C)(CO)[NH2+]C ZINC000085283747 179001620 /nfs/dbraw/zinc/00/16/20/179001620.db2.gz FCVZGYFKLDMLHD-SWLSCSKDSA-N 1 0 267.369 2.213 10 0 CEAERO CCC[NH2+][C@@H](CO)CCOc1ccc(CC)cc1 ZINC000085284060 179002016 /nfs/dbraw/zinc/00/20/16/179002016.db2.gz HYXRUZKCIRQOGA-CQSZACIVSA-N 1 0 251.370 2.378 10 0 CEAERO CCC(C)(C)c1ccc(OC[C@@H](CO)[NH2+]C)cc1 ZINC000085284504 179002089 /nfs/dbraw/zinc/00/20/89/179002089.db2.gz ROQGLACXSOTKMH-CYBMUJFWSA-N 1 0 251.370 2.333 10 0 CEAERO Cc1nn(CCC[C@@](C)(CO)[NH2+]C2CC2)c(C)c1C ZINC000085264028 178993759 /nfs/dbraw/zinc/99/37/59/178993759.db2.gz TUDXZEQHLVYMRD-HNNXBMFYSA-N 1 0 265.401 2.092 10 0 CEAERO C[NH2+][C@@](C)(CO)CCCCn1ccc(C(F)(F)F)n1 ZINC000085264377 178994715 /nfs/dbraw/zinc/99/47/15/178994715.db2.gz NPPCKOWUZFJXLQ-LLVKDONJSA-N 1 0 279.306 2.043 10 0 CEAERO CCC(C)(C)c1ccc(OCC[C@@H]([NH3+])CO)cc1 ZINC000085284502 179002449 /nfs/dbraw/zinc/00/24/49/179002449.db2.gz ANHCOVVBBCDIEF-CYBMUJFWSA-N 1 0 251.370 2.463 10 0 CEAERO CC(C)(C)c1cccc(OC[C@@]([NH3+])(CO)C2CC2)c1 ZINC000085286515 179004066 /nfs/dbraw/zinc/00/40/66/179004066.db2.gz MCFCOOQYUUCOCM-INIZCTEOSA-N 1 0 263.381 2.463 10 0 CEAERO Cc1cc(C(C)(C)C)ccc1OCC[C@@H]([NH3+])CO ZINC000085286582 179004156 /nfs/dbraw/zinc/00/41/56/179004156.db2.gz FCTYWCPDMMORPE-CYBMUJFWSA-N 1 0 251.370 2.381 10 0 CEAERO COCCCS[C@@H](C)C[C@](C)(CO)[NH2+]C(C)C ZINC000085290012 179006021 /nfs/dbraw/zinc/00/60/21/179006021.db2.gz UZWRGQNKVGWHPA-QWHCGFSZSA-N 1 0 263.447 2.284 10 0 CEAERO CCN(CCC[C@](C)(O)C[NH3+])c1cccc(F)c1 ZINC000085300763 179010125 /nfs/dbraw/zinc/01/01/25/179010125.db2.gz WZQUSDNJDLMCOP-AWEZNQCLSA-N 1 0 254.349 2.142 10 0 CEAERO Clc1cncnc1N1CCC[C@@H](C[NH2+]C2CC2)C1 ZINC000097848627 136523189 /nfs/dbraw/zinc/52/31/89/136523189.db2.gz ZWANSWLNTDAAMJ-JTQLQIEISA-N 1 0 266.776 2.098 10 0 CEAERO COc1ccc(SCCC[C@](C)([NH3+])CO)cc1 ZINC000085291941 179007289 /nfs/dbraw/zinc/00/72/89/179007289.db2.gz JJNSMCKHVXLSEE-ZDUSSCGKSA-N 1 0 255.383 2.277 10 0 CEAERO CC[NH2+][C@@](CO)(CSc1nc(C)cs1)C1CC1 ZINC000085292592 179007656 /nfs/dbraw/zinc/00/76/56/179007656.db2.gz IYPJVUPZGOTRTR-LBPRGKRZSA-N 1 0 272.439 2.294 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCCSc1ccccn1 ZINC000085292074 179007970 /nfs/dbraw/zinc/00/79/70/179007970.db2.gz KJGPMQXLPLXDLB-CYBMUJFWSA-N 1 0 254.399 2.314 10 0 CEAERO CC[NH2+][C@@](C)(CO)CSc1cc(F)ccc1F ZINC000085297005 179008721 /nfs/dbraw/zinc/00/87/21/179008721.db2.gz IOWHYSOUYZFNSG-LBPRGKRZSA-N 1 0 261.337 2.417 10 0 CEAERO COc1ccccc1SC[C@@H](CO)[NH2+]C(C)C ZINC000085297515 179009080 /nfs/dbraw/zinc/00/90/80/179009080.db2.gz XLRJSBGDQBISRJ-LLVKDONJSA-N 1 0 255.383 2.146 10 0 CEAERO CCC[NH2+][C@](C)(CO)C[C@H](C)Sc1nccn1C ZINC000085299184 179010625 /nfs/dbraw/zinc/01/06/25/179010625.db2.gz HFPFPQDBTXISIQ-AAEUAGOBSA-N 1 0 271.430 2.041 10 0 CEAERO CN(CCCC[C@@](C)(O)C[NH3+])c1cccc(F)c1 ZINC000085303689 179011491 /nfs/dbraw/zinc/01/14/91/179011491.db2.gz FSFSQCYMRDWOGY-CQSZACIVSA-N 1 0 254.349 2.142 10 0 CEAERO Cc1ccc2[nH]c(S[C@H](C)C[C@](C)(O)C[NH3+])nc2c1 ZINC000085307949 179013052 /nfs/dbraw/zinc/01/30/52/179013052.db2.gz YIAKWNFTSQJLTA-YGRLFVJLSA-N 1 0 279.409 2.452 10 0 CEAERO C[C@@H](C[C@](C)(O)C[NH3+])Sc1nc2ccccc2o1 ZINC000085308645 179013114 /nfs/dbraw/zinc/01/31/14/179013114.db2.gz QAQRAPJRTUYQKX-ZANVPECISA-N 1 0 266.366 2.408 10 0 CEAERO C[C@H](C[C@@](C)(O)C[NH3+])Sc1nc2ccccc2o1 ZINC000085308657 179013346 /nfs/dbraw/zinc/01/33/46/179013346.db2.gz QAQRAPJRTUYQKX-NOZJJQNGSA-N 1 0 266.366 2.408 10 0 CEAERO C[C@@H](C[C@@](C)(O)C[NH3+])Sc1nc2ccccc2o1 ZINC000085308654 179013422 /nfs/dbraw/zinc/01/34/22/179013422.db2.gz QAQRAPJRTUYQKX-TVQRCGJNSA-N 1 0 266.366 2.408 10 0 CEAERO Cc1nn(C)c(CSC[C@@H](C)[NH3+])c1Br ZINC000085313892 179013804 /nfs/dbraw/zinc/01/38/04/179013804.db2.gz BXRBAYYMMDHBFF-ZCFIWIBFSA-N 1 0 278.219 2.071 10 0 CEAERO C[C@H]([NH3+])CSCc1nnc(-c2cccs2)o1 ZINC000085314095 179014025 /nfs/dbraw/zinc/01/40/25/179014025.db2.gz ACJBNRYJFTUPTF-ZETCQYMHSA-N 1 0 255.368 2.379 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1c1nc(-c2ccc(O)cc2)no1 ZINC000085325432 179018483 /nfs/dbraw/zinc/01/84/83/179018483.db2.gz WFIKGBIACOKGCK-NEPJUHHUSA-N 1 0 259.309 2.427 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1c1nc(Cc2ccc(O)cc2)no1 ZINC000085325407 179018796 /nfs/dbraw/zinc/01/87/96/179018796.db2.gz AUGFXEASEWYBLU-QWHCGFSZSA-N 1 0 273.336 2.351 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)NCCc1ccccc1F ZINC000085356191 179030295 /nfs/dbraw/zinc/03/02/95/179030295.db2.gz XBSDJPHEMSUTMP-JSGCOSHPSA-N 1 0 264.344 2.002 10 0 CEAERO COC(=O)c1ccc(F)cc1NC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085364860 179036138 /nfs/dbraw/zinc/03/61/38/179036138.db2.gz VSPIDPYOVQWRIA-CMPLNLGQSA-N 1 0 294.326 2.068 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)N1CCC[C@@H]1c1ccncc1 ZINC000085358841 179031424 /nfs/dbraw/zinc/03/14/24/179031424.db2.gz YRUYNHATEPSRSO-QLFBSQMISA-N 1 0 273.380 2.263 10 0 CEAERO CN(C)c1c(Cl)cccc1NC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085359616 179031857 /nfs/dbraw/zinc/03/18/57/179031857.db2.gz NUDQOPGEMSRELY-MWLCHTKSSA-N 1 0 281.787 2.472 10 0 CEAERO COC(=O)c1cc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])ccc1Cl ZINC000085359876 179032331 /nfs/dbraw/zinc/03/23/31/179032331.db2.gz KLRAGIIUIAYHKX-CABZTGNLSA-N 1 0 296.754 2.193 10 0 CEAERO COc1ccc([C@@H](C)NC(=O)[C@H]2CCC[C@@H]2[NH3+])c(OC)c1 ZINC000085360064 179032536 /nfs/dbraw/zinc/03/25/36/179032536.db2.gz MTGYNWNDROFFEC-SWHYSGLUSA-N 1 0 292.379 2.008 10 0 CEAERO C[C@H](NC(=O)[C@H]1CCC[C@@H]1[NH3+])c1ccc(F)c(F)c1 ZINC000085360640 179032969 /nfs/dbraw/zinc/03/29/69/179032969.db2.gz MZAZOIAZPHLWCU-FWDPORAESA-N 1 0 268.307 2.269 10 0 CEAERO COC(=O)c1ccc(Cl)c(NC(=O)[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000085362462 179034056 /nfs/dbraw/zinc/03/40/56/179034056.db2.gz NDBUNEHWPYCQLL-ONGXEEELSA-N 1 0 296.754 2.193 10 0 CEAERO CC(C)C(=O)Nc1cccc(NC(=O)[C@H]2CCC[C@H]2[NH3+])c1 ZINC000085363431 179034535 /nfs/dbraw/zinc/03/45/35/179034535.db2.gz LSABHKMHWCDLDQ-UONOGXRCSA-N 1 0 289.379 2.347 10 0 CEAERO C[C@H](NC(=O)N1CCS[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000085363704 179034754 /nfs/dbraw/zinc/03/47/54/179034754.db2.gz TULFHYHKMHNCBM-RYUDHWBXSA-N 1 0 287.473 2.110 10 0 CEAERO [NH3+]C1(c2ncc(I)s2)CCC1 ZINC000085352081 179029751 /nfs/dbraw/zinc/02/97/51/179029751.db2.gz MQRKORUIOZQLAF-UHFFFAOYSA-N 1 0 280.134 2.086 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1cccc2n[nH]cc21 ZINC000085366217 179037075 /nfs/dbraw/zinc/03/70/75/179037075.db2.gz KXJLZTMDMGYSJP-KOLCDFICSA-N 1 0 258.325 2.019 10 0 CEAERO CN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085367988 179037655 /nfs/dbraw/zinc/03/76/55/179037655.db2.gz KKIWIKUBIQJWEC-BXUZGUMPSA-N 1 0 282.334 2.441 10 0 CEAERO CCN(Cc1ccco1)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085368443 179038106 /nfs/dbraw/zinc/03/81/06/179038106.db2.gz RLCKWUGSGYKIEO-QWHCGFSZSA-N 1 0 250.342 2.146 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)NCCSc1ccccc1 ZINC000085369581 179039412 /nfs/dbraw/zinc/03/94/12/179039412.db2.gz OJNKNMDALLQNIV-KBPBESRZSA-N 1 0 278.421 2.412 10 0 CEAERO COc1cccc(N(C)C(=O)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000085373432 179042875 /nfs/dbraw/zinc/04/28/75/179042875.db2.gz ZCCDGBVVPKGVQZ-KBPBESRZSA-N 1 0 262.353 2.176 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)NCc1ccccc1C(F)(F)F ZINC000085374532 179043606 /nfs/dbraw/zinc/04/36/06/179043606.db2.gz BLICLLYGITYDPU-ZYHUDNBSSA-N 1 0 286.297 2.449 10 0 CEAERO CCOC(=O)c1cc(C)sc1NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085375414 179043870 /nfs/dbraw/zinc/04/38/70/179043870.db2.gz OIUXWKFKDWLGDY-KOLCDFICSA-N 1 0 296.392 2.299 10 0 CEAERO [NH3+]C[C@H](C(=O)OCc1ccccc1)c1ccccc1 ZINC000061609858 362683879 /nfs/dbraw/zinc/68/38/79/362683879.db2.gz BLOYETQUKLPQOU-HNNXBMFYSA-N 1 0 255.317 2.472 10 0 CEAERO COC(=O)CCC[NH2+][C@@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000085400620 179051811 /nfs/dbraw/zinc/05/18/11/179051811.db2.gz RMIFJCQGJCUCJF-CHWSQXEVSA-N 1 0 271.401 2.369 10 0 CEAERO CCOC(=O)CC[NH2+][C@@H]1C[C@H](OCC(C)C)C1(C)C ZINC000085401486 179052339 /nfs/dbraw/zinc/05/23/39/179052339.db2.gz DFCYJPUNCJLSRF-OLZOCXBDSA-N 1 0 271.401 2.369 10 0 CEAERO CC[NH2+][C@H](C)C1CCN(c2ccc(F)cn2)CC1 ZINC000111717477 136532112 /nfs/dbraw/zinc/53/21/12/136532112.db2.gz IKCVTCJOIJHJTF-LLVKDONJSA-N 1 0 251.349 2.435 10 0 CEAERO CC(C)(C)[C@H]1CN(CCCOCC(F)(F)F)CC[NH2+]1 ZINC000085434976 179061310 /nfs/dbraw/zinc/06/13/10/179061310.db2.gz UVVYUOJAAOLUGL-LLVKDONJSA-N 1 0 282.350 2.275 10 0 CEAERO COc1ccc(CN2CC[NH2+][C@H](C(C)C)C2)cc1F ZINC000085434789 179061424 /nfs/dbraw/zinc/06/14/24/179061424.db2.gz LINAXAAQEYZZGL-AWEZNQCLSA-N 1 0 266.360 2.264 10 0 CEAERO CC(C)OCCN1CC[NH2+][C@@H](C2CCCCC2)C1 ZINC000085435521 179062084 /nfs/dbraw/zinc/06/20/84/179062084.db2.gz MANREIUQWOFRTP-OAHLLOKOSA-N 1 0 254.418 2.266 10 0 CEAERO CCC[C@H]1CN(CCOCC(F)(F)F)C(C)(C)C[NH2+]1 ZINC000085455495 179068289 /nfs/dbraw/zinc/06/82/89/179068289.db2.gz NVHZOYSHVSKKNB-NSHDSACASA-N 1 0 282.350 2.418 10 0 CEAERO CCC[C@H]1C[N@H+](C[C@@H]2CCOC2)[C@@](C)(CC)CN1 ZINC000085466146 179071754 /nfs/dbraw/zinc/07/17/54/179071754.db2.gz NJCMSUCBHJUZAP-KKUMJFAQSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@@H](C(C)C)CN1Cc1ncccn1 ZINC000085467835 179072393 /nfs/dbraw/zinc/07/23/93/179072393.db2.gz QJAAQYSYSGKXIU-HIFRSBDPSA-N 1 0 262.401 2.075 10 0 CEAERO CC(C)[C@H]1CN(CC(F)(F)F)[C@H](C2CC2)C[NH2+]1 ZINC000085467154 179072669 /nfs/dbraw/zinc/07/26/69/179072669.db2.gz VKCLDSSMUDWXFM-MNOVXSKESA-N 1 0 250.308 2.257 10 0 CEAERO CC[C@@H]1CNC(C)(C)C[N@@H+]1CCCOCC(F)(F)F ZINC000085469343 179074808 /nfs/dbraw/zinc/07/48/08/179074808.db2.gz RYOZPJSENVBZEK-LLVKDONJSA-N 1 0 282.350 2.418 10 0 CEAERO Brc1cncnc1OCC[C@H]1CCCC[NH2+]1 ZINC000085467894 179073365 /nfs/dbraw/zinc/07/33/65/179073365.db2.gz IGBXAPNHRIRDFJ-SECBINFHSA-N 1 0 286.173 2.150 10 0 CEAERO CC[C@H](C)[C@@H]1CN(CCOc2ccccc2)CC[NH2+]1 ZINC000085449670 179064719 /nfs/dbraw/zinc/06/47/19/179064719.db2.gz UTHRNTBBSUTRCN-HOCLYGCPSA-N 1 0 262.397 2.385 10 0 CEAERO CCC[C@H]1C[NH2+][C@@H](C(C)C)CN1Cc1ncccn1 ZINC000085450730 179065377 /nfs/dbraw/zinc/06/53/77/179065377.db2.gz ABYQFPKZQXPQSI-UONOGXRCSA-N 1 0 262.401 2.075 10 0 CEAERO CC[C@H](C)[C@H]1C[NH2+]CCN1CCOc1ccccc1 ZINC000085452711 179066320 /nfs/dbraw/zinc/06/63/20/179066320.db2.gz RYYYOAMRAWOTPQ-GOEBONIOSA-N 1 0 262.397 2.385 10 0 CEAERO CC(C)n1ccc(CN2C[C@@H](C)[NH2+]CC2(C)C)n1 ZINC000085454020 179066755 /nfs/dbraw/zinc/06/67/55/179066755.db2.gz FFZZFDOTTQDBJC-GFCCVEGCSA-N 1 0 250.390 2.036 10 0 CEAERO CCC1(CC)CN[C@@H](C)C[N@@H+]1CCCn1ccnc1 ZINC000085454281 179066973 /nfs/dbraw/zinc/06/69/73/179066973.db2.gz MROSUZKRZQZOPL-AWEZNQCLSA-N 1 0 264.417 2.126 10 0 CEAERO CC[C@H]1CN[C@@H](C)C[N@@H+]1CCCOCC(F)(F)F ZINC000085453311 179067070 /nfs/dbraw/zinc/06/70/70/179067070.db2.gz YGFBAKMPOUUZAW-QWRGUYRKSA-N 1 0 268.323 2.028 10 0 CEAERO CCOCCN1C[C@H](C)[NH2+]C[C@@]1(C)c1ccccc1 ZINC000085454538 179067654 /nfs/dbraw/zinc/06/76/54/179067654.db2.gz CFJGFKINNSWDDH-HOCLYGCPSA-N 1 0 262.397 2.232 10 0 CEAERO CCC[C@H]1CN(Cc2ccncc2)[C@H](C2CC2)C[NH2+]1 ZINC000085455345 179068184 /nfs/dbraw/zinc/06/81/84/179068184.db2.gz SVEUNLDYTQYPGC-HOTGVXAUSA-N 1 0 259.397 2.434 10 0 CEAERO COc1ccc([C@@H](O)CC[NH2+]C2CCCC2)cc1N ZINC000098131182 185692577 /nfs/dbraw/zinc/69/25/77/185692577.db2.gz TXXGSJCGOVXNPY-AWEZNQCLSA-N 1 0 264.369 2.233 10 0 CEAERO CC[C@@H]1CN(CCOC(C)C)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085475018 179078385 /nfs/dbraw/zinc/07/83/85/179078385.db2.gz PDKJBYFMVNTMSR-HUUCEWRRSA-N 1 0 254.418 2.264 10 0 CEAERO CC(C)[C@@H]1CN[C@H](C(C)(C)C)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085475959 179078669 /nfs/dbraw/zinc/07/86/69/179078669.db2.gz VFDMRFSNWXDCFH-KKUMJFAQSA-N 1 0 268.445 2.367 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@H](Cc2ccccc2)CN1CCOC ZINC000085489463 179081588 /nfs/dbraw/zinc/08/15/88/179081588.db2.gz OYENADILTMBMED-DLBZAZTESA-N 1 0 276.424 2.318 10 0 CEAERO CC[C@H](C)[C@H]1CN(C[C@@H]2CCCO2)C(C)(C)C[NH2+]1 ZINC000085492919 179081937 /nfs/dbraw/zinc/08/19/37/179081937.db2.gz SNZXDGXHDHYFLU-MELADBBJSA-N 1 0 254.418 2.264 10 0 CEAERO C[C@@H]1C[NH2+][C@H](c2ccccc2)CN1Cc1ncccn1 ZINC000085504492 179084964 /nfs/dbraw/zinc/08/49/64/179084964.db2.gz GSXIUFRJFIRBJM-HIFRSBDPSA-N 1 0 268.364 2.012 10 0 CEAERO CC[C@H]1C[NH2+][C@](C)(C2CC2)CN1C[C@@H]1CCCO1 ZINC000085510371 179085332 /nfs/dbraw/zinc/08/53/32/179085332.db2.gz DRRPVRNFNNJYHS-KKUMJFAQSA-N 1 0 252.402 2.018 10 0 CEAERO CC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1cccc(OC)n1 ZINC000085510473 179085543 /nfs/dbraw/zinc/08/55/43/179085543.db2.gz DOOLISJYKQBBRO-WBVHZDCISA-N 1 0 289.423 2.443 10 0 CEAERO CC[C@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1cccc(OC)n1 ZINC000085510477 179085818 /nfs/dbraw/zinc/08/58/18/179085818.db2.gz DOOLISJYKQBBRO-RDJZCZTQSA-N 1 0 289.423 2.443 10 0 CEAERO Cn1cc(CN2C[C@@H](c3ccccc3)[NH2+]CC2(C)C)cn1 ZINC000085507712 179085918 /nfs/dbraw/zinc/08/59/18/179085918.db2.gz JUOJHAIPNXDHIY-INIZCTEOSA-N 1 0 284.407 2.345 10 0 CEAERO CCC[C@H]1CN[C@@](C)(C2CC2)C[N@@H+]1CCOCC ZINC000085511093 179086034 /nfs/dbraw/zinc/08/60/34/179086034.db2.gz MVVHEWPDNABCJQ-LSDHHAIUSA-N 1 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HNIOTGTZFMEMNB-UHFFFAOYSA-N 1 0 266.429 2.410 10 0 CEAERO COCCC[N@@H+]1CC2(CCCC2)NC[C@@]1(C)C1CC1 ZINC000085498737 179083201 /nfs/dbraw/zinc/08/32/01/179083201.db2.gz SLXZKACKPMYPGU-HNNXBMFYSA-N 1 0 266.429 2.410 10 0 CEAERO C[NH+](C)[C@H]1CCN(Cc2cc(N)ccc2Cl)C1 ZINC000062963832 362735419 /nfs/dbraw/zinc/73/54/19/362735419.db2.gz CRUZPFWTQMBKGA-LBPRGKRZSA-N 1 0 253.777 2.058 10 0 CEAERO C[C@@H]1CN(C(=O)CSCc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000602593777 347092509 /nfs/dbraw/zinc/09/25/09/347092509.db2.gz NBAQFRMJVCXDTI-DGCLKSJQSA-N 1 0 296.411 2.112 10 0 CEAERO FC(F)(F)COCCN1C[C@H](C2CC2)[NH2+]C[C@@H]1C1CC1 ZINC000085526206 179089147 /nfs/dbraw/zinc/08/91/47/179089147.db2.gz ISPWMDYUYDUQBH-CHWSQXEVSA-N 1 0 292.345 2.028 10 0 CEAERO CC[C@H](C)[C@H]1CN[C@H](C2CC2)C[N@@H+]1CCCOC ZINC000085524878 179089418 /nfs/dbraw/zinc/08/94/18/179089418.db2.gz IWQYWSNRPZVIJM-AEGPPILISA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@H](C)[C@H]1CN[C@H](C2CC2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085525120 179089550 /nfs/dbraw/zinc/08/95/50/179089550.db2.gz YIMFUUCPNQYLJG-QCEMKRCNSA-N 1 0 266.429 2.264 10 0 CEAERO CC[C@]1(C)CN[C@H](C2CC2)C[N@@H+]1CCCn1ccnc1 ZINC000085528183 179090314 /nfs/dbraw/zinc/09/03/14/179090314.db2.gz NWEAVQMYAXQLIE-JKSUJKDBSA-N 1 0 276.428 2.126 10 0 CEAERO CSCc1ccc(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000602594932 347093336 /nfs/dbraw/zinc/09/33/36/347093336.db2.gz SQZBVYNOYKNBCP-RISCZKNCSA-N 1 0 278.421 2.216 10 0 CEAERO CCC1(CC)C[NH2+][C@H](C2CC2)CN1Cc1ncccn1 ZINC000085528825 179091141 /nfs/dbraw/zinc/09/11/41/179091141.db2.gz AOMHHVVJFUVHGG-AWEZNQCLSA-N 1 0 274.412 2.219 10 0 CEAERO COCC[N@@H+]1C[C@@H](C2CC2)NCC12CCCCC2 ZINC000085529295 179091162 /nfs/dbraw/zinc/09/11/62/179091162.db2.gz AJVOGYODRHUHNX-AWEZNQCLSA-N 1 0 252.402 2.020 10 0 CEAERO [NH3+]CCSC[C@H]1Cc2cc(Br)ccc2O1 ZINC000085538898 179092719 /nfs/dbraw/zinc/09/27/19/179092719.db2.gz AHCZYNYWYCLMLI-SNVBAGLBSA-N 1 0 288.210 2.445 10 0 CEAERO CC[NH2+][C@](C)(CO)CCOc1cc(C)ccc1F ZINC000085564922 179094350 /nfs/dbraw/zinc/09/43/50/179094350.db2.gz BLXXFAYZUUEYFP-AWEZNQCLSA-N 1 0 255.333 2.264 10 0 CEAERO C[NH2+]C[C@H]1CC[C@@H](COc2cc(C)ccc2F)O1 ZINC000085563372 179094641 /nfs/dbraw/zinc/09/46/41/179094641.db2.gz NJNYEUICMKIIKF-NEPJUHHUSA-N 1 0 253.317 2.280 10 0 CEAERO CCc1nc2c(n1[C@H]1CCOc3ccccc31)CC[NH2+]C2 ZINC000085571145 179097416 /nfs/dbraw/zinc/09/74/16/179097416.db2.gz RECGKQYNLXIIPH-AWEZNQCLSA-N 1 0 283.375 2.463 10 0 CEAERO COC[C@H](C)n1c2c(nc1-c1ccccc1)C[NH2+]CC2 ZINC000085605909 179100046 /nfs/dbraw/zinc/10/00/46/179100046.db2.gz HYMGWCLISMJTJB-LBPRGKRZSA-N 1 0 271.364 2.403 10 0 CEAERO C([C@H]1CCOC1)n1c2c(nc1C1CCCC1)C[NH2+]CC2 ZINC000085606600 179100208 /nfs/dbraw/zinc/10/02/08/179100208.db2.gz JAXLBFGUQUDNCF-GFCCVEGCSA-N 1 0 275.396 2.223 10 0 CEAERO CCCCOC[C@H](O)C[N@@H+]1CCC[C@@H](CSC)C1 ZINC000336795464 365817434 /nfs/dbraw/zinc/81/74/34/365817434.db2.gz KTTSLKGSPNPFKG-ZIAGYGMSSA-N 1 0 275.458 2.239 10 0 CEAERO CC[C@H](C)[C@H]1CN(Cc2cnn(CC)c2)CCC[NH2+]1 ZINC000085609536 179101482 /nfs/dbraw/zinc/10/14/82/179101482.db2.gz KSMKAUGUXJUZKW-DZGCQCFKSA-N 1 0 264.417 2.113 10 0 CEAERO CC[C@H](C)[C@H]1CN(CCOCC(F)(F)F)CCC[NH2+]1 ZINC000085609107 179101489 /nfs/dbraw/zinc/10/14/89/179101489.db2.gz ARAHLUVEVXNLAT-NWDGAFQWSA-N 1 0 282.350 2.275 10 0 CEAERO CC(C)[C@H]1C[N@H+](CC2CCOCC2)[C@@H](C)CCN1 ZINC000085618527 179103797 /nfs/dbraw/zinc/10/37/97/179103797.db2.gz ISJJGZNOKUUMNZ-DZGCQCFKSA-N 1 0 254.418 2.121 10 0 CEAERO COCCNC(=[NH2+])c1cc(F)cc(Br)c1 ZINC000085634119 179108716 /nfs/dbraw/zinc/10/87/16/179108716.db2.gz LFRZMMKOUDNNBC-UHFFFAOYSA-N 1 0 275.121 2.150 10 0 CEAERO CCS(=O)(=O)c1ccc(NC[C@]2(C)CCC[NH2+]C2)cc1 ZINC000129284221 365842489 /nfs/dbraw/zinc/84/24/89/365842489.db2.gz DKOMQVGVHASMQJ-OAHLLOKOSA-N 1 0 296.436 2.282 10 0 CEAERO CCN(C(=O)[C@@]1([NH3+])CCOC1)c1cccc2ccccc21 ZINC000085867981 179192497 /nfs/dbraw/zinc/19/24/97/179192497.db2.gz RVLHFJHIJYJXMZ-QGZVFWFLSA-N 1 0 284.359 2.311 10 0 CEAERO CC(C)(C)C[C@@H](NC(=O)[C@@]1([NH3+])CCOC1)c1ccccc1 ZINC000085869970 179192809 /nfs/dbraw/zinc/19/28/09/179192809.db2.gz UJQNOHMOTPMBQE-RHSMWYFYSA-N 1 0 290.407 2.398 10 0 CEAERO O=C(Cc1ccc(F)c(F)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000128484315 187373020 /nfs/dbraw/zinc/37/30/20/187373020.db2.gz DIPXYBHRNXMCRN-CYBMUJFWSA-N 1 0 294.345 2.204 10 0 CEAERO CC[C@@H](NC(=O)[C@]1([NH3+])CCOC1)c1ccc(Cl)cc1 ZINC000085871378 179193069 /nfs/dbraw/zinc/19/30/69/179193069.db2.gz LEPAVROSYYXSEN-OCCSQVGLSA-N 1 0 282.771 2.025 10 0 CEAERO COc1ccc(Br)cc1[C@@H](O)[C@H](C)C[NH3+] ZINC000085902363 179196058 /nfs/dbraw/zinc/19/60/58/179196058.db2.gz NNMJHNGJLHLFSH-HQJQHLMTSA-N 1 0 274.158 2.086 10 0 CEAERO Cc1ccccc1CC(=O)NC[C@H]1CCCC[C@@H]1[NH3+] ZINC000085966717 179206010 /nfs/dbraw/zinc/20/60/10/179206010.db2.gz RMDLXBIVXWEPIK-CABCVRRESA-N 1 0 260.381 2.171 10 0 CEAERO Cc1ccc(C)c(S(=O)(=O)NC[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000085972584 179207331 /nfs/dbraw/zinc/20/73/31/179207331.db2.gz GXDWZCWOXWZLGB-ZIAGYGMSSA-N 1 0 296.436 2.099 10 0 CEAERO Cc1ccc(C)c(S(=O)(=O)NC[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000085972581 179207355 /nfs/dbraw/zinc/20/73/55/179207355.db2.gz GXDWZCWOXWZLGB-UONOGXRCSA-N 1 0 296.436 2.099 10 0 CEAERO CS(=O)(=O)c1ccccc1NC[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085973984 179207991 /nfs/dbraw/zinc/20/79/91/179207991.db2.gz SFHMXAGOLOSYER-RYUDHWBXSA-N 1 0 282.409 2.020 10 0 CEAERO Cc1cc(C(C)(C)C)ccc1O[C@@H](CO)[C@@H](C)[NH3+] ZINC000085919522 179199952 /nfs/dbraw/zinc/19/99/52/179199952.db2.gz FCEMBQQRJDCDQB-RISCZKNCSA-N 1 0 251.370 2.379 10 0 CEAERO [NH3+][C@@H](CCO)COc1ccc(Cc2ccccc2)cc1 ZINC000085921432 179200618 /nfs/dbraw/zinc/20/06/18/179200618.db2.gz XOANAQGUTKTWER-INIZCTEOSA-N 1 0 271.360 2.366 10 0 CEAERO CCC[NH2+][C@@H](CCO)CN1CCC[C@H](C(C)C)CC1 ZINC000085923208 179201422 /nfs/dbraw/zinc/20/14/22/179201422.db2.gz JFQQPZRTNADSER-HOTGVXAUSA-N 1 0 270.461 2.495 10 0 CEAERO CC[NH2+][C@H](CCO)CN1CCC2(CCCCC2)CC1 ZINC000085922772 179201464 /nfs/dbraw/zinc/20/14/64/179201464.db2.gz VVTIYDWKLLKJRM-OAHLLOKOSA-N 1 0 268.445 2.393 10 0 CEAERO C[NH2+][C@@H](CCO)CN1CCC2(CCCCC2)CC1 ZINC000085922764 179201678 /nfs/dbraw/zinc/20/16/78/179201678.db2.gz PGPWAUPTPRRRBJ-AWEZNQCLSA-N 1 0 254.418 2.003 10 0 CEAERO CC(C)Cc1ccc([C@@H]([NH3+])[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000086020031 179217637 /nfs/dbraw/zinc/21/76/37/179217637.db2.gz IAQWRDAWBZFLLY-HUUCEWRRSA-N 1 0 281.421 2.320 10 0 CEAERO COc1ccc(C)cc1[C@H](O)C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000085984929 179211401 /nfs/dbraw/zinc/21/14/01/179211401.db2.gz YRZWILPBSXHFRF-CWRNSKLLSA-N 1 0 293.407 2.178 10 0 CEAERO O=C(C[NH2+]C[C@@H]1CCCC[C@H]1O)Nc1c(F)cccc1F ZINC000085986711 179212274 /nfs/dbraw/zinc/21/22/74/179212274.db2.gz IFHWSBJYXWQYDL-GXFFZTMASA-N 1 0 298.333 2.044 10 0 CEAERO CCOC(=O)CCCCC[NH2+]C[C@H]1CCCC[C@H]1O ZINC000085987532 179212870 /nfs/dbraw/zinc/21/28/70/179212870.db2.gz OBRXORMSXAWDIL-ZIAGYGMSSA-N 1 0 271.401 2.251 10 0 CEAERO CCC[NH2+][C@@H]1CC[C@H](SCC(=O)OCC)[C@@H]1C ZINC000086043999 179222917 /nfs/dbraw/zinc/22/29/17/179222917.db2.gz DSCOUUMATBOXAB-UTUOFQBUSA-N 1 0 259.415 2.449 10 0 CEAERO CC[NH2+][C@@H](c1ccc(C)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000086020887 179218003 /nfs/dbraw/zinc/21/80/03/179218003.db2.gz AVKZIIHLEGRHCL-ZYHUDNBSSA-N 1 0 273.423 2.142 10 0 CEAERO Cc1cc(C)c(C)c([C@@H]([NH3+])[C@H]2CCS(=O)(=O)C2)c1C ZINC000086019957 179218094 /nfs/dbraw/zinc/21/80/94/179218094.db2.gz QSJLASFSZAKFBG-ZFWWWQNUSA-N 1 0 281.421 2.355 10 0 CEAERO CCc1oc2ccccc2c1[C@@H]([NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000086022723 179218383 /nfs/dbraw/zinc/21/83/83/179218383.db2.gz FAYRVEHJMPPYHW-BMIGLBTASA-N 1 0 293.388 2.430 10 0 CEAERO Cc1cccc(CS(=O)(=O)[C@@H]2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000086041815 179222212 /nfs/dbraw/zinc/22/22/12/179222212.db2.gz MTINXRGQCRIDLK-FPMFFAJLSA-N 1 0 267.394 2.036 10 0 CEAERO CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)C(=O)N2CCCC2)[C@@H]1C ZINC000086096950 179229717 /nfs/dbraw/zinc/22/97/17/179229717.db2.gz WDJKRSPRUPWHKO-XJFOESAGSA-N 1 0 252.402 2.412 10 0 CEAERO CC[C@H]1CC[C@H](NS(=O)(=O)CCC[NH2+]C(C)C)[C@@H]1C ZINC000086101453 179230089 /nfs/dbraw/zinc/23/00/89/179230089.db2.gz HUQRBCLFTRTELB-RDBSUJKOSA-N 1 0 290.473 2.119 10 0 CEAERO CCN(Cc1cccs1)Cc1cccc(NN)[nH+]1 ZINC000086116059 179234855 /nfs/dbraw/zinc/23/48/55/179234855.db2.gz PUHOVBRVDDLTAC-UHFFFAOYSA-N 1 0 262.382 2.451 10 0 CEAERO c1ccc(C[C@@H]2CN(CCc3cccnc3)CC[NH2+]2)cc1 ZINC000086141948 179236595 /nfs/dbraw/zinc/23/65/95/179236595.db2.gz BWSIMONJBQTAHP-GOSISDBHSA-N 1 0 281.403 2.141 10 0 CEAERO c1cc(CCN2CC[NH2+]C3(CCCCC3)C2)ccn1 ZINC000086141981 179236621 /nfs/dbraw/zinc/23/66/21/179236621.db2.gz BBZYUEHTSQDTIY-UHFFFAOYSA-N 1 0 259.397 2.232 10 0 CEAERO c1csc(CN2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000086144205 179237533 /nfs/dbraw/zinc/23/75/33/179237533.db2.gz WIBMGZAUVJAUHI-ZDUSSCGKSA-N 1 0 259.378 2.290 10 0 CEAERO C[C@@H]1CC[C@H](NC(=O)c2c[nH+]c(NN)c(Cl)c2)[C@@H]1C ZINC000086082068 179228519 /nfs/dbraw/zinc/22/85/19/179228519.db2.gz CJOHPGHSPWGAKR-XLDPMVHQSA-N 1 0 282.775 2.185 10 0 CEAERO CC[C@H]1CC[C@H](NC(=O)[C@H]([NH3+])Cc2ccccc2)[C@@H]1C ZINC000086094019 179228850 /nfs/dbraw/zinc/22/88/50/179228850.db2.gz OCXSQSGHZWJVAH-BVUBDWEXSA-N 1 0 274.408 2.497 10 0 CEAERO CC[C@H]1CC[C@H]([NH2+][C@@H]2CC(=O)N(C3CCCC3)C2=O)[C@@H]1C ZINC000086093830 179228882 /nfs/dbraw/zinc/22/88/82/179228882.db2.gz UZYJMOLYWPPMGE-PAPYEOQZSA-N 1 0 292.423 2.471 10 0 CEAERO CC[C@@H](C)[C@H]1CN(Cc2ccc3c(c2)OCO3)CC[NH2+]1 ZINC000086148220 179239942 /nfs/dbraw/zinc/23/99/42/179239942.db2.gz GZTZLJFPHHUVNZ-TZMCWYRMSA-N 1 0 276.380 2.235 10 0 CEAERO c1ccc2c(c1)OCC[C@H]2N1CC[NH2+][C@H](C2CC2)C1 ZINC000086147444 179240041 /nfs/dbraw/zinc/24/00/41/179240041.db2.gz QQZPWJHWPMMISX-LSDHHAIUSA-N 1 0 258.365 2.194 10 0 CEAERO CC(C)(C)[C@@H]1CN(CCc2cscn2)CC[NH2+]1 ZINC000086149462 179240239 /nfs/dbraw/zinc/24/02/39/179240239.db2.gz FVMGWIRWRBHRLL-LBPRGKRZSA-N 1 0 253.415 2.006 10 0 CEAERO CSCCC[N@@H+]1CCN[C@H](c2ccccc2)C1 ZINC000086149807 179240682 /nfs/dbraw/zinc/24/06/82/179240682.db2.gz ZONWLKFRIXOFNH-AWEZNQCLSA-N 1 0 250.411 2.386 10 0 CEAERO CC(C)[C@@H]1C[N@H+](C2CCOCC2)[C@@H](C(C)C)CN1 ZINC000086154454 179241593 /nfs/dbraw/zinc/24/15/93/179241593.db2.gz PUHHMPPOLANDGF-LSDHHAIUSA-N 1 0 254.418 2.120 10 0 CEAERO Cc1cc(CN2C[C@@H](Cc3ccccc3)[NH2+]C[C@@H]2C)no1 ZINC000086173908 179244538 /nfs/dbraw/zinc/24/45/38/179244538.db2.gz HJYQTBMHHOLTQM-XJKSGUPXSA-N 1 0 285.391 2.388 10 0 CEAERO C[C@H]1C[N@H+](C[C@@H]2CCCOC2)[C@H](c2ccccc2)CN1 ZINC000086173982 179244737 /nfs/dbraw/zinc/24/47/37/179244737.db2.gz FTAWRJXHWGVRAA-ZOBUZTSGSA-N 1 0 274.408 2.448 10 0 CEAERO C[C@@H]1C[NH2+][C@H](Cc2ccccc2)CN1[C@@H]1CCCOC1 ZINC000086175686 179245511 /nfs/dbraw/zinc/24/55/11/179245511.db2.gz QTCCXTXLSBWDBK-DJIMGWMZSA-N 1 0 274.408 2.070 10 0 CEAERO CC(C)[C@@H]1C[NH2+]CCN1CCc1cc(F)cc(F)c1 ZINC000086177713 179246885 /nfs/dbraw/zinc/24/68/85/179246885.db2.gz JTJHPFHJBHXSRS-HNNXBMFYSA-N 1 0 268.351 2.437 10 0 CEAERO CC1(C)CN(CCc2cc(F)cc(F)c2)CC[NH2+]1 ZINC000086147685 179239561 /nfs/dbraw/zinc/23/95/61/179239561.db2.gz LXRAIVAYZYHLBQ-UHFFFAOYSA-N 1 0 254.324 2.191 10 0 CEAERO CC[C@@H]1CN[C@](C)(C2CC2)C[N@@H+]1[C@@H](C)[C@@H]1CCCO1 ZINC000086218149 179249485 /nfs/dbraw/zinc/24/94/85/179249485.db2.gz ZUSWIOOPVOVQKD-UKMLZYKCSA-N 1 0 266.429 2.406 10 0 CEAERO CCn1cc(N2C[C@@H](c3ccccc3)[NH2+]C[C@@H]2C)cn1 ZINC000086218499 179249859 /nfs/dbraw/zinc/24/98/59/179249859.db2.gz VGIVASZNDOWMLB-BBRMVZONSA-N 1 0 270.380 2.442 10 0 CEAERO CC[C@H]1C[NH2+]C2(CCCC2)CN1c1cnn(CC)c1 ZINC000086218551 179250083 /nfs/dbraw/zinc/25/00/83/179250083.db2.gz NDIQUQHYMJWQPK-ZDUSSCGKSA-N 1 0 262.401 2.404 10 0 CEAERO CC[C@H]1C[NH2+][C@@](C)(CC)CN1CCc1ccccn1 ZINC000086221463 179250732 /nfs/dbraw/zinc/25/07/32/179250732.db2.gz PFJIBKITNGUPNE-HOTGVXAUSA-N 1 0 261.413 2.477 10 0 CEAERO CC(C)[C@H]1CNC2(CCCC2)C[N@@H+]1C1CCOCC1 ZINC000086218865 179251121 /nfs/dbraw/zinc/25/11/21/179251121.db2.gz XGMNDTBMRYMFCI-OAHLLOKOSA-N 1 0 266.429 2.408 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C2CC2)CN1CCc1ccncc1 ZINC000086223330 179251776 /nfs/dbraw/zinc/25/17/76/179251776.db2.gz UQFBJGGCEWQPEC-HZPDHXFCSA-N 1 0 259.397 2.087 10 0 CEAERO Cc1ncc(CN2C[C@@](C)(C3CC3)[NH2+]C[C@@H]2C)s1 ZINC000086226722 179253041 /nfs/dbraw/zinc/25/30/41/179253041.db2.gz BITLOTLKKQDEPU-HZMBPMFUSA-N 1 0 265.426 2.414 10 0 CEAERO CC[C@H]1CN(Cc2nc(C)cs2)[C@@H](CC)C[NH2+]1 ZINC000086227077 179253710 /nfs/dbraw/zinc/25/37/10/179253710.db2.gz LCDZEOZEGFVWHV-RYUDHWBXSA-N 1 0 253.415 2.414 10 0 CEAERO COCc1nc(C[NH2+]CC2(O)CCCCCC2)cs1 ZINC000608056845 347559085 /nfs/dbraw/zinc/55/90/85/347559085.db2.gz CYROXHQKZLTBTC-UHFFFAOYSA-N 1 0 284.425 2.464 10 0 CEAERO Cc1noc(CN2C[C@H](C(C)(C)C)[NH2+]C[C@@H]2C(C)C)n1 ZINC000086260349 179259116 /nfs/dbraw/zinc/25/91/16/179259116.db2.gz ALVDGPFVVUQFNL-CHWSQXEVSA-N 1 0 280.416 2.223 10 0 CEAERO CC[C@]1(C)CN(Cc2cnc(C)cn2)[C@H](C(C)C)C[NH2+]1 ZINC000086263059 179259980 /nfs/dbraw/zinc/25/99/80/179259980.db2.gz GGXIRCISNFNWFG-JKSUJKDBSA-N 1 0 276.428 2.384 10 0 CEAERO CCC1(CC)CN(Cc2cnc(C)cn2)[C@@H](C)C[NH2+]1 ZINC000086263090 179260539 /nfs/dbraw/zinc/26/05/39/179260539.db2.gz QLPKUFBRNUUKRK-ZDUSSCGKSA-N 1 0 262.401 2.138 10 0 CEAERO C[C@H]1C[NH2+][C@H](C2CCCCC2)CN1Cc1nccn1C ZINC000086264826 179260903 /nfs/dbraw/zinc/26/09/03/179260903.db2.gz STTGANOFNXNHSI-ZFWWWQNUSA-N 1 0 276.428 2.163 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C2CC2)CN1Cc1scnc1C ZINC000086264629 179261002 /nfs/dbraw/zinc/26/10/02/179261002.db2.gz RIRUMNNUSGQVIZ-OLZOCXBDSA-N 1 0 265.426 2.414 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C2CC2)CN1Cc1ccc(C)nc1 ZINC000086263763 179261086 /nfs/dbraw/zinc/26/10/86/179261086.db2.gz TVSWBBRMAGGHAX-HZPDHXFCSA-N 1 0 259.397 2.352 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1Cc1nccn1C ZINC000086264891 179261269 /nfs/dbraw/zinc/26/12/69/179261269.db2.gz WRSWLRHEVILHOL-UONOGXRCSA-N 1 0 278.444 2.265 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](C2CCCCC2)CN1[C@@H]1CCCOC1 ZINC000086265185 179262173 /nfs/dbraw/zinc/26/21/73/179262173.db2.gz QNAREQUOSLRGQP-FVQBIDKESA-N 1 0 266.429 2.408 10 0 CEAERO C[C@H]1CN(c2ccccc2OC(F)F)CCC[NH2+]1 ZINC000086286844 179264177 /nfs/dbraw/zinc/26/41/77/179264177.db2.gz JUFKIHCPTXQPJN-JTQLQIEISA-N 1 0 256.296 2.476 10 0 CEAERO C[NH2+]C[C@@H]1CCCN(c2nc(Br)cs2)C1 ZINC000086290594 179265325 /nfs/dbraw/zinc/26/53/25/179265325.db2.gz ILKLZNGCOVFQCF-QMMMGPOBSA-N 1 0 290.230 2.341 10 0 CEAERO Brc1csc(N[C@@H]2CCCC[NH2+]C2)n1 ZINC000086290881 179265588 /nfs/dbraw/zinc/26/55/88/179265588.db2.gz AJDUGSKTLBAELZ-SSDOTTSWSA-N 1 0 276.203 2.460 10 0 CEAERO CC[C@H]1CN(CCOc2cccc(C)c2)CCC[NH2+]1 ZINC000086291094 179265627 /nfs/dbraw/zinc/26/56/27/179265627.db2.gz AGVYYOYEZYRNRG-HNNXBMFYSA-N 1 0 262.397 2.448 10 0 CEAERO Cc1noc(CN2CCC[NH2+][C@](C)(c3ccccc3)C2)n1 ZINC000086292675 179266267 /nfs/dbraw/zinc/26/62/67/179266267.db2.gz OATWNMGMZQYNJS-INIZCTEOSA-N 1 0 286.379 2.089 10 0 CEAERO CC[C@@]1(C)CN(Cc2ccc(OC)nc2)CCC[NH2+]1 ZINC000086296414 179267597 /nfs/dbraw/zinc/26/75/97/179267597.db2.gz YAACEOUSBVKZQP-HNNXBMFYSA-N 1 0 263.385 2.054 10 0 CEAERO CC[C@@H](C)[C@H]1CN(CCc2nccs2)CCC[NH2+]1 ZINC000086296829 179268073 /nfs/dbraw/zinc/26/80/73/179268073.db2.gz NTUXZXOPSKHQPJ-CHWSQXEVSA-N 1 0 267.442 2.396 10 0 CEAERO CC(C)[C@@H]1CN([C@@H]2COc3ccccc32)CCC[NH2+]1 ZINC000086299088 179268828 /nfs/dbraw/zinc/26/88/28/179268828.db2.gz SICWRMOQLNHHGD-LSDHHAIUSA-N 1 0 260.381 2.440 10 0 CEAERO C[NH2+][C@@H]1CCCc2sc(N3CCOC(C)(C)C3)nc21 ZINC000086442918 179294219 /nfs/dbraw/zinc/29/42/19/179294219.db2.gz LOFQIECSVVOIFJ-SNVBAGLBSA-N 1 0 281.425 2.355 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)Cc1cccc(F)c1 ZINC000086446337 179294621 /nfs/dbraw/zinc/29/46/21/179294621.db2.gz SVOIOBMFOQNCOY-LSDHHAIUSA-N 1 0 278.371 2.357 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)c1cc(Cl)c[nH]1 ZINC000086447172 179295391 /nfs/dbraw/zinc/29/53/91/179295391.db2.gz FDHLFTSWXMNNKQ-WDEREUQCSA-N 1 0 269.776 2.271 10 0 CEAERO CC[C@@H]1CN(C(=O)Cc2cccs2)[C@@H](CC)C[NH2+]1 ZINC000086447605 179295403 /nfs/dbraw/zinc/29/54/03/179295403.db2.gz IHOVQVVJGXKTMC-NEPJUHHUSA-N 1 0 266.410 2.280 10 0 CEAERO CC[C@@H]1CN(C(=O)c2ccc3c(c2)CCO3)[C@@H](CC)C[NH2+]1 ZINC000086447442 179295462 /nfs/dbraw/zinc/29/54/62/179295462.db2.gz KRULSTGKVMBQQJ-CABCVRRESA-N 1 0 288.391 2.224 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)c1ccccc1F ZINC000086447267 179295590 /nfs/dbraw/zinc/29/55/90/179295590.db2.gz IABHTNPBBFOBCN-NWDGAFQWSA-N 1 0 264.344 2.428 10 0 CEAERO [NH3+]C1(c2nc([C@H]3Cc4ccccc43)no2)CCCC1 ZINC000086486438 179301881 /nfs/dbraw/zinc/30/18/81/179301881.db2.gz QJJXTZPZMMBLJO-LBPRGKRZSA-N 1 0 255.321 2.486 10 0 CEAERO c1ccc2c(c1)C[C@H]2c1noc(C2CC[NH2+]CC2)n1 ZINC000086486355 179301904 /nfs/dbraw/zinc/30/19/04/179301904.db2.gz TWWHPYQGYSXKFW-CYBMUJFWSA-N 1 0 255.321 2.225 10 0 CEAERO C[NH2+][C@@H](C)CCc1nc([C@H]2Cc3ccccc32)no1 ZINC000086492197 179302274 /nfs/dbraw/zinc/30/22/74/179302274.db2.gz SKAXLYMKXUGONA-GWCFXTLKSA-N 1 0 257.337 2.298 10 0 CEAERO C[C@H]1CN(C(=O)c2ccccc2OC(F)F)[C@@H](C)C[NH2+]1 ZINC000086467277 179297384 /nfs/dbraw/zinc/29/73/84/179297384.db2.gz LNZOQZQHMJEBJX-UWVGGRQHSA-N 1 0 284.306 2.110 10 0 CEAERO COC(=O)CC[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC000086584113 179309250 /nfs/dbraw/zinc/30/92/50/179309250.db2.gz WXRIZVIUYVMUFM-UHFFFAOYSA-N 1 0 257.717 2.001 10 0 CEAERO C[C@@H]([NH3+])c1nc2cc(F)c(Br)cc2[nH]1 ZINC000086598544 179310875 /nfs/dbraw/zinc/31/08/75/179310875.db2.gz DPGFGPUHZNIOJG-SCSAIBSYSA-N 1 0 258.094 2.484 10 0 CEAERO CC(C)(C)n1c2ccc(C[NH3+])cc2nc1C(C)(C)O ZINC000086641933 179314709 /nfs/dbraw/zinc/31/47/09/179314709.db2.gz RFXNEEZTLVKCGE-UHFFFAOYSA-N 1 0 261.369 2.477 10 0 CEAERO CCN(CC(C)(C)C[NH3+])c1ncncc1Br ZINC000086640468 179314758 /nfs/dbraw/zinc/31/47/58/179314758.db2.gz FFZIDODMZADRHV-UHFFFAOYSA-N 1 0 287.205 2.050 10 0 CEAERO COc1ccc(OC)c([C@@H]2C[NH2+]C[C@H](C)CO2)c1 ZINC000086633984 179315394 /nfs/dbraw/zinc/31/53/94/179315394.db2.gz ZCKCCSHACJWGMD-HZMBPMFUSA-N 1 0 251.326 2.001 10 0 CEAERO C[C@H](O)c1cc(F)ccc1N1CC[C@@H]([NH+](C)C)C1 ZINC000103918425 185859851 /nfs/dbraw/zinc/85/98/51/185859851.db2.gz URAFCBQBCKYZHJ-CMPLNLGQSA-N 1 0 252.333 2.019 10 0 CEAERO COC[C@H]([NH3+])CCc1cc(F)cc(Br)c1 ZINC000086695179 179320517 /nfs/dbraw/zinc/32/05/17/179320517.db2.gz CLMZGAFNFOUDGB-LLVKDONJSA-N 1 0 276.149 2.495 10 0 CEAERO COC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)NC(=O)CO2)C(C)C ZINC000086695549 179320897 /nfs/dbraw/zinc/32/08/97/179320897.db2.gz OAZYJILVIACKFQ-BXUZGUMPSA-N 1 0 292.379 2.339 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccccc1)[C@H]1CN(CC)CCO1 ZINC000086654271 179316735 /nfs/dbraw/zinc/31/67/35/179316735.db2.gz OJIVXIHFRVVDPP-DLBZAZTESA-N 1 0 276.424 2.318 10 0 CEAERO C[NH+](C)C(C)(C)COc1nnc(Br)s1 ZINC000086657981 179316786 /nfs/dbraw/zinc/31/67/86/179316786.db2.gz FABJWEXZYNHKNH-UHFFFAOYSA-N 1 0 280.191 2.020 10 0 CEAERO CCOC(=O)[C@@]1(NCC[NH+](CC)CC)CCC[C@@H]1C ZINC000086678037 179319556 /nfs/dbraw/zinc/31/95/56/179319556.db2.gz DGJQSCGMKCCJCR-DZGCQCFKSA-N 1 0 270.417 2.040 10 0 CEAERO CC[N@H+](Cc1c[nH]c(=NN)s1)Cc1ccccc1 ZINC000086767910 179326071 /nfs/dbraw/zinc/32/60/71/179326071.db2.gz KDSNYFZAVAOLSQ-UHFFFAOYSA-N 1 0 262.382 2.451 10 0 CEAERO CN(Cc1cnc(Cl)s1)C[C@H]1CC[N@H+](C)C1 ZINC000086776865 179328527 /nfs/dbraw/zinc/32/85/27/179328527.db2.gz QWWLQVFANSXECT-VIFPVBQESA-N 1 0 259.806 2.180 10 0 CEAERO CCN(CC)C(=O)COC1(C[NH3+])CCC(C(C)C)CC1 ZINC000086713504 179322774 /nfs/dbraw/zinc/32/27/74/179322774.db2.gz MRBJSKQZQIZUBL-UHFFFAOYSA-N 1 0 284.444 2.415 10 0 CEAERO CCC1CCC(C[NH3+])(OCC(=O)N[C@@H](C)C(C)C)CC1 ZINC000086713148 179322883 /nfs/dbraw/zinc/32/28/83/179322883.db2.gz FNQMYWSTIACSCF-HLIUYOAVSA-N 1 0 284.444 2.461 10 0 CEAERO CCCCNC(=O)COC1(C[NH3+])CCC(CC)CC1 ZINC000086713213 179322962 /nfs/dbraw/zinc/32/29/62/179322962.db2.gz VLRJUTDVOAGENQ-UHFFFAOYSA-N 1 0 270.417 2.217 10 0 CEAERO CC[C@](C)([NH3+])C(=O)NCc1ccc(Br)s1 ZINC000086803964 179338618 /nfs/dbraw/zinc/33/86/18/179338618.db2.gz SKIUCVOYCRPAJV-JTQLQIEISA-N 1 0 291.214 2.254 10 0 CEAERO COC(=O)[C@@]1(Nc2cccc(OC)c2)CCC[N@H+](C)CC1 ZINC000086833299 179349479 /nfs/dbraw/zinc/34/94/79/179349479.db2.gz UXDPDIYNTZJBOK-MRXNPFEDSA-N 1 0 292.379 2.135 10 0 CEAERO C[C@H]1Oc2ccc(N[C@H]3CCC[N@H+](C)CC3)cc2NC1=O ZINC000086817787 179345987 /nfs/dbraw/zinc/34/59/87/179345987.db2.gz BIUIZOKBEMPQIJ-NEPJUHHUSA-N 1 0 289.379 2.302 10 0 CEAERO Cn1cnnc1-c1ccccc1N[C@@H]1CCC[N@H+](C)CC1 ZINC000086817983 179346083 /nfs/dbraw/zinc/34/60/83/179346083.db2.gz FRFZOTMPHKDWDI-CYBMUJFWSA-N 1 0 285.395 2.378 10 0 CEAERO COC(=O)COc1ccc(N[C@@H]2CCC[N@H+](C)CC2)cc1 ZINC000086817612 179346125 /nfs/dbraw/zinc/34/61/25/179346125.db2.gz LLBDFYOOMPHPKW-CYBMUJFWSA-N 1 0 292.379 2.135 10 0 CEAERO COC(=O)[C@]1(Nc2cccc(C)c2)CCC[N@H+](C)CC1 ZINC000086833234 179349891 /nfs/dbraw/zinc/34/98/91/179349891.db2.gz OACXLBGKUUZACS-INIZCTEOSA-N 1 0 276.380 2.434 10 0 CEAERO C[N@@H+]1CCC[C@@](O)(Cc2ccn(C3CCCC3)n2)CC1 ZINC000086833972 179350374 /nfs/dbraw/zinc/35/03/74/179350374.db2.gz JWOLDXSWRORWOT-INIZCTEOSA-N 1 0 277.412 2.388 10 0 CEAERO CCc1nc([C@@]2(N)CCC[N@H+](C)CC2)sc1C ZINC000086833635 179350636 /nfs/dbraw/zinc/35/06/36/179350636.db2.gz PGTXKBYNBSRAPN-CYBMUJFWSA-N 1 0 253.415 2.284 10 0 CEAERO COc1ccc(CN[C@@H]2CCC[N@@H+](C(C)C)CC2)cn1 ZINC000086836782 179350983 /nfs/dbraw/zinc/35/09/83/179350983.db2.gz HHHWGRIMTSPTHR-OAHLLOKOSA-N 1 0 277.412 2.443 10 0 CEAERO CC[C@H](C)[C@@H](N[C@@H]1CCC[N@H+](CC)CC1)C(=O)OC ZINC000086839587 179352033 /nfs/dbraw/zinc/35/20/33/179352033.db2.gz VWSCGTPRXBXNKH-BFHYXJOUSA-N 1 0 270.417 2.038 10 0 CEAERO CCC[N@@H+]1CCC[C@@H](Nc2ccc(=O)n(C)c2)CC1 ZINC000086841729 179353478 /nfs/dbraw/zinc/35/34/78/179353478.db2.gz WMCXGQMKZOBLDD-CYBMUJFWSA-N 1 0 263.385 2.062 10 0 CEAERO CC(C)[N@@H+]1CCC[C@@](CC(=O)[O-])([NH+]2CCCC2)CC1 ZINC000086868469 179360432 /nfs/dbraw/zinc/36/04/32/179360432.db2.gz MIUVPGDKRYIWNG-OAHLLOKOSA-N 1 0 268.401 2.190 10 0 CEAERO CCC[N@@H+]1CCC[C@](CO)(NCc2cccs2)CC1 ZINC000086868241 179360451 /nfs/dbraw/zinc/36/04/51/179360451.db2.gz GOSJMCSUZDOSTB-HNNXBMFYSA-N 1 0 282.453 2.465 10 0 CEAERO CCC[C@H]([NH2+][C@H]1CCC[N@@H+](C(C)C)CC1)C(=O)[O-] ZINC000086868681 179362415 /nfs/dbraw/zinc/36/24/15/179362415.db2.gz OBRSELYIOUEZGO-STQMWFEESA-N 1 0 256.390 2.092 10 0 CEAERO CC(C)(C)[C@@H](Cn1ccnc1)[NH2+][C@@H]1CCCOCC1 ZINC000086873179 179364491 /nfs/dbraw/zinc/36/44/91/179364491.db2.gz GWKQMBSXNXORIN-ZIAGYGMSSA-N 1 0 265.401 2.457 10 0 CEAERO CCCN[C@]1(C(=O)OCC)CCC[N@H+](CCC)CC1 ZINC000086849843 179357968 /nfs/dbraw/zinc/35/79/68/179357968.db2.gz OXPJLWSZQBVFGM-OAHLLOKOSA-N 1 0 270.417 2.184 10 0 CEAERO CC(C)[N@@H+]1CCC[C@]([NH2+]C2CCCC2)(C(=O)[O-])CC1 ZINC000086850360 179358207 /nfs/dbraw/zinc/35/82/07/179358207.db2.gz DVVWHUXRNZYQKO-OAHLLOKOSA-N 1 0 268.401 2.236 10 0 CEAERO COc1ccc(C[C@@H](C)C(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000128730384 187387264 /nfs/dbraw/zinc/38/72/64/187387264.db2.gz SYWPXINLTYAFQC-HIFRSBDPSA-N 1 0 290.407 2.036 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH2+]C)c1ccccc1C ZINC000086978886 179372536 /nfs/dbraw/zinc/37/25/36/179372536.db2.gz GKMSHOQVYYAKBE-AWEZNQCLSA-N 1 0 269.410 2.470 10 0 CEAERO CCC[NH2+][C@@H](CCCS(=O)(=O)CC)Cc1ccncc1 ZINC000086979356 179373153 /nfs/dbraw/zinc/37/31/53/179373153.db2.gz SBJJPOSEOCDECQ-HNNXBMFYSA-N 1 0 298.452 2.207 10 0 CEAERO CCS(=O)(=O)CCC[C@@H](C[NH3+])Cc1ccc(C)cc1 ZINC000086980667 179373162 /nfs/dbraw/zinc/37/31/62/179373162.db2.gz YNKOOCRMZRDAJU-OAHLLOKOSA-N 1 0 283.437 2.327 10 0 CEAERO CCS(=O)(=O)CCC[C@@H](C[NH3+])Cc1cccc(F)c1 ZINC000086980693 179373366 /nfs/dbraw/zinc/37/33/66/179373366.db2.gz XUHADJBAMKVILP-CYBMUJFWSA-N 1 0 287.400 2.158 10 0 CEAERO COC1CC[NH+]([C@]2(CN)CCC[C@H](C)CC2)CC1 ZINC000086890606 179366406 /nfs/dbraw/zinc/36/64/06/179366406.db2.gz RQBUOBZCUDSSAA-DZGCQCFKSA-N 1 0 254.418 2.395 10 0 CEAERO CCCn1nccc1[C@@H]([NH3+])[C@H]1CSCCS1 ZINC000086983857 179373664 /nfs/dbraw/zinc/37/36/64/179373664.db2.gz GDNXQDXCNVHPCQ-GHMZBOCLSA-N 1 0 257.428 2.142 10 0 CEAERO CCOC(=O)[C@]1(N2CC[NH2+]CC2)CCC[C@@H](CC)CC1 ZINC000086915889 179367422 /nfs/dbraw/zinc/36/74/22/179367422.db2.gz RWOWLNLRKFRRRZ-ZBFHGGJFSA-N 1 0 282.428 2.184 10 0 CEAERO CC(C)[C@H]1CCC[C@@](C(=O)[O-])([N@@H+]2CCC[NH2+]CC2)CC1 ZINC000086949800 179368554 /nfs/dbraw/zinc/36/85/54/179368554.db2.gz ZLVMFCGVSDRUCV-GOEBONIOSA-N 1 0 282.428 2.341 10 0 CEAERO CC(C)[C@@H]1CCC[C@](C[NH3+])(N2CCOCC2)CC1 ZINC000086947839 179368665 /nfs/dbraw/zinc/36/86/65/179368665.db2.gz TZKRDXJIHZFPJQ-CABCVRRESA-N 1 0 254.418 2.252 10 0 CEAERO COC(=O)[C@]1(N2CCC[NH2+]CC2)CCC[C@@H](C(C)C)CC1 ZINC000086949809 179368783 /nfs/dbraw/zinc/36/87/83/179368783.db2.gz LTRKPSUSOZTWOH-WBVHZDCISA-N 1 0 296.455 2.430 10 0 CEAERO CCOC(=O)[C@@]1(N2CC[NH2+]CC2)CCC[C@H](C(C)C)CC1 ZINC000086949880 179368823 /nfs/dbraw/zinc/36/88/23/179368823.db2.gz AMFPOLYYOGLISH-DOTOQJQBSA-N 1 0 296.455 2.430 10 0 CEAERO C[NH2+][C@@H](Cc1csc(C)n1)[C@H]1CSCCS1 ZINC000086985065 179373886 /nfs/dbraw/zinc/37/38/86/179373886.db2.gz AJZUOMMICQIFCN-WDEREUQCSA-N 1 0 274.480 2.431 10 0 CEAERO Nc1ncc(Cl)cc1[C@@H]([NH3+])[C@@H]1CSCCS1 ZINC000086983843 179373747 /nfs/dbraw/zinc/37/37/47/179373747.db2.gz DLYIBLNJKWHZTL-DTWKUNHWSA-N 1 0 275.830 2.166 10 0 CEAERO Cc1nc([C@H]2CSCCS2)ncc1[C@H](C)[NH3+] ZINC000086985384 179373761 /nfs/dbraw/zinc/37/37/61/179373761.db2.gz DMKRGEOXHNWWIM-OIBJUYFYSA-N 1 0 255.412 2.326 10 0 CEAERO CCS(=O)(=O)CCC[C@]1([NH3+])CCc2ccccc21 ZINC000086977304 179371978 /nfs/dbraw/zinc/37/19/78/179371978.db2.gz ZIHDSABEAKIQNZ-AWEZNQCLSA-N 1 0 267.394 2.002 10 0 CEAERO CCC[NH2+][C@@H](CCCCS(=O)(=O)CC)C1CC1 ZINC000086976640 179372191 /nfs/dbraw/zinc/37/21/91/179372191.db2.gz KXEARVPLTBLWEC-ZDUSSCGKSA-N 1 0 261.431 2.370 10 0 CEAERO CCS(=O)(=O)CCC[C@](C)([NH3+])c1ccccc1 ZINC000086977317 179372225 /nfs/dbraw/zinc/37/22/25/179372225.db2.gz RARGVFZRMRXYCU-ZDUSSCGKSA-N 1 0 255.383 2.075 10 0 CEAERO CCC(O)(CC)C[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000087015420 179379569 /nfs/dbraw/zinc/37/95/69/179379569.db2.gz NXCAHYDZKLYINV-UHFFFAOYSA-N 1 0 279.380 2.489 10 0 CEAERO CC[C@@](C)(O)C[NH2+]Cc1cc2c(c(Cl)c1)OCO2 ZINC000087012762 179379856 /nfs/dbraw/zinc/37/98/56/179379856.db2.gz QYZKPNHZMLCFPI-CYBMUJFWSA-N 1 0 271.744 2.319 10 0 CEAERO [NH3+][C@H](Cc1ccccc1Cl)[C@H]1CSCCO1 ZINC000086987597 179374853 /nfs/dbraw/zinc/37/48/53/179374853.db2.gz HBAMAFLLDFOZEY-VXGBXAGGSA-N 1 0 257.786 2.342 10 0 CEAERO CCN([C@@H](C[NH3+])c1ccc(OC)c(F)c1)[C@@H](C)COC ZINC000086991970 179375112 /nfs/dbraw/zinc/37/51/12/179375112.db2.gz AAYJWMOHFVCGEA-FZMZJTMJSA-N 1 0 284.375 2.191 10 0 CEAERO COc1ccc([C@@H](C[NH3+])N2CCCSCC2)cc1F ZINC000086991744 179375177 /nfs/dbraw/zinc/37/51/77/179375177.db2.gz QCZPMGQYBXEATL-CYBMUJFWSA-N 1 0 284.400 2.273 10 0 CEAERO C[NH2+]C[C@@H]1CCN(C)[C@@H]1c1ccc(OC)c(F)c1 ZINC000086994816 179375950 /nfs/dbraw/zinc/37/59/50/179375950.db2.gz DOVFXMWTLZVIHF-SMDDNHRTSA-N 1 0 252.333 2.047 10 0 CEAERO O=C(c1c(F)cc(F)cc1F)N1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000086997911 179377310 /nfs/dbraw/zinc/37/73/10/179377310.db2.gz VNTFYFIIXKXKPQ-CHWSQXEVSA-N 1 0 298.308 2.461 10 0 CEAERO CC(C)n1ccc(C[NH2+]C[C@]2(O)CCC[C@@H](C)C2)n1 ZINC000087064303 179390054 /nfs/dbraw/zinc/39/00/54/179390054.db2.gz FJVNCKXLYJYXGV-HIFRSBDPSA-N 1 0 265.401 2.495 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)OCc1ccc(Cl)cc1 ZINC000087090932 179394178 /nfs/dbraw/zinc/39/41/78/179394178.db2.gz MIBXVRYWZUISTA-BXKDBHETSA-N 1 0 253.729 2.239 10 0 CEAERO Clc1ccc(COCC[NH2+]C[C@H]2CCOC2)cc1 ZINC000087096808 179394211 /nfs/dbraw/zinc/39/42/11/179394211.db2.gz DQTJBWVJPJGNEK-CYBMUJFWSA-N 1 0 269.772 2.483 10 0 CEAERO COc1c(C)cnc(CC2(O)CC[NH+](C(C)C)CC2)c1C ZINC000087165847 179398842 /nfs/dbraw/zinc/39/88/42/179398842.db2.gz BKARBGRXXAYJOC-UHFFFAOYSA-N 1 0 292.423 2.485 10 0 CEAERO COc1c(C)c[nH+]c(C[C@@]2(O)CCO[C@H](C)C2)c1C ZINC000087182285 179399408 /nfs/dbraw/zinc/39/94/08/179399408.db2.gz TUIODGOUXMSDBR-IAQYHMDHSA-N 1 0 265.353 2.180 10 0 CEAERO C[C@H](O)[C@H](C)Oc1c(Br)cccc1C[NH3+] ZINC000087125543 179396330 /nfs/dbraw/zinc/39/63/30/179396330.db2.gz IZFCOBCRLXHSMA-YUMQZZPRSA-N 1 0 274.158 2.056 10 0 CEAERO COc1ccc([C@H](C[NH3+])[C@@H](O)c2cccc(OC)c2)cc1 ZINC000087354216 179415646 /nfs/dbraw/zinc/41/56/46/179415646.db2.gz AQIDXDMHQCJDOP-IRXDYDNUSA-N 1 0 287.359 2.480 10 0 CEAERO COc1ccc([C@H](C[NH3+])[C@H](O)c2ccccc2)cc1OC ZINC000087370530 179416780 /nfs/dbraw/zinc/41/67/80/179416780.db2.gz CNGOJRWFIVGSDH-WMLDXEAASA-N 1 0 287.359 2.480 10 0 CEAERO Cc1[nH]c2ccc(C(=O)N[C@H](C[NH3+])C(C)C)cc2c1C ZINC000087403082 179419628 /nfs/dbraw/zinc/41/96/28/179419628.db2.gz VETVFCBMNSSZRD-OAHLLOKOSA-N 1 0 273.380 2.498 10 0 CEAERO CC(C)[C@@H](C[NH3+])NC(=O)CCc1c[nH]c2ccccc12 ZINC000087403726 179420032 /nfs/dbraw/zinc/42/00/32/179420032.db2.gz MFKPFDTZKCJUMT-OAHLLOKOSA-N 1 0 273.380 2.200 10 0 CEAERO C[C@@H]([NH2+]CC(=O)N(C)[C@H]1CCCC[C@H]1C)[C@@H]1CCCO1 ZINC000248563592 539636790 /nfs/dbraw/zinc/63/67/90/539636790.db2.gz DHYIMHCAVPPDRX-KBXIAJHMSA-N 1 0 282.428 2.181 10 0 CEAERO Cc1ccc(CNC(=O)[C@H](C)[NH2+][C@H](C)[C@H]2CCCO2)cc1 ZINC000248580109 539637524 /nfs/dbraw/zinc/63/75/24/539637524.db2.gz IGQPLFKQSPYWJZ-IJEWVQPXSA-N 1 0 290.407 2.157 10 0 CEAERO CCN(c1nc(C(C)(C)C)ns1)[C@@H]1CCC[NH2+]C1 ZINC000087642700 179462414 /nfs/dbraw/zinc/46/24/14/179462414.db2.gz QHCCFDJTXKSIGH-SNVBAGLBSA-N 1 0 268.430 2.414 10 0 CEAERO CC(C)(CC[NH3+])CCC(=O)Nc1cc(C(N)=O)ccc1F ZINC000087693713 179470953 /nfs/dbraw/zinc/47/09/53/179470953.db2.gz WRWFPKOFSVABLK-UHFFFAOYSA-N 1 0 295.358 2.018 10 0 CEAERO Cc1csc(CNC(=O)CCC(C)(C)CC[NH3+])n1 ZINC000087697589 179472307 /nfs/dbraw/zinc/47/23/07/179472307.db2.gz WKQJTZAXMBQAJV-UHFFFAOYSA-N 1 0 269.414 2.223 10 0 CEAERO Cc1ccc(CNC(=O)CCC(C)(C)CC[NH3+])o1 ZINC000087701518 179472663 /nfs/dbraw/zinc/47/26/63/179472663.db2.gz NMUYIEOFUMCDTH-UHFFFAOYSA-N 1 0 252.358 2.359 10 0 CEAERO CC[NH2+]C[C@H](C)Cc1c(C)nc(CCCOC)nc1C ZINC000087707191 179474889 /nfs/dbraw/zinc/47/48/89/179474889.db2.gz MQFCOFDXSNOVDQ-GFCCVEGCSA-N 1 0 279.428 2.461 10 0 CEAERO CC(C)(C[C@H]([NH3+])c1cc2c(cc1Cl)OCCO2)C(N)=O ZINC000087722245 179477060 /nfs/dbraw/zinc/47/70/60/179477060.db2.gz LEGQVFKNZNQPCN-JTQLQIEISA-N 1 0 298.770 2.013 10 0 CEAERO CC(C)Oc1cc(N2C[C@@H](C)[NH2+][C@H](C)C2)ccc1NC=O ZINC000616220730 348462165 /nfs/dbraw/zinc/46/21/65/348462165.db2.gz TUTBSCUDRZOOAH-CHWSQXEVSA-N 1 0 291.395 2.229 10 0 CEAERO [NH3+][C@H](Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCOC1 ZINC000087804379 179488696 /nfs/dbraw/zinc/48/86/96/179488696.db2.gz TYFLIKLFXWYBGK-ZYHUDNBSSA-N 1 0 275.270 2.492 10 0 CEAERO CCc1nsc(Sc2ccc(C[NH3+])cn2)n1 ZINC000087515035 179437916 /nfs/dbraw/zinc/43/79/16/179437916.db2.gz FUXMWRMHAYLWQD-UHFFFAOYSA-N 1 0 252.368 2.105 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N(C)Cc1ccc(F)cc1F ZINC000087525219 179440702 /nfs/dbraw/zinc/44/07/02/179440702.db2.gz UCDKGAHQWMSUPD-SNVBAGLBSA-N 1 0 270.323 2.298 10 0 CEAERO CCN(Cc1ccc(OC)c(F)c1)C(=O)[C@H](C[NH3+])C(C)C ZINC000087524535 179440787 /nfs/dbraw/zinc/44/07/87/179440787.db2.gz ATTLKIHNZBZQNM-CYBMUJFWSA-N 1 0 296.386 2.414 10 0 CEAERO CCOC(=O)CC1([NH2+]C)C2CC3CC(C2)CC1C3 ZINC000087547314 179442907 /nfs/dbraw/zinc/44/29/07/179442907.db2.gz FHOUKMYJBKZVFT-UHFFFAOYSA-N 1 0 251.370 2.354 10 0 CEAERO CC[NH2+][C@@](C)(CC(=O)OCC)c1ccc2c(c1)OCO2 ZINC000087548857 179444626 /nfs/dbraw/zinc/44/46/26/179444626.db2.gz FCEQNJWMBNEREX-HNNXBMFYSA-N 1 0 279.336 2.193 10 0 CEAERO CCOC(=O)c1ccccc1[C@@H]1C[N@@H+](C(C)C)CCN1 ZINC000616632984 348540931 /nfs/dbraw/zinc/54/09/31/348540931.db2.gz UDISQGWBGUEPJM-HNNXBMFYSA-N 1 0 276.380 2.218 10 0 CEAERO COC(=O)N1CC[NH2+]C[C@@H]1c1ccc(Cl)cc1 ZINC000616635459 348542527 /nfs/dbraw/zinc/54/25/27/348542527.db2.gz DWZDQXNIUJKZCP-LLVKDONJSA-N 1 0 254.717 2.053 10 0 CEAERO CC(C)(C)N1CC[NH2+]C[C@@H]1c1cccc2ccnnc21 ZINC000616638070 348542869 /nfs/dbraw/zinc/54/28/69/348542869.db2.gz VGUJGCYEIRGZGI-CQSZACIVSA-N 1 0 270.380 2.375 10 0 CEAERO Cc1c(S[C@@H](C)CCO)nc(C(C)C)[nH+]c1NN ZINC000087919386 179523441 /nfs/dbraw/zinc/52/34/41/179523441.db2.gz XPXLGBOOGUQPDM-QMMMGPOBSA-N 1 0 270.402 2.057 10 0 CEAERO CC(C)[N@@H+]1CCCOC[C@H]1CNC(=O)OC(C)(C)C ZINC000616649947 348547556 /nfs/dbraw/zinc/54/75/56/348547556.db2.gz QTGSOZFPUNRWGA-GFCCVEGCSA-N 1 0 272.389 2.010 10 0 CEAERO [NH3+]C[C@]1(Cc2ccn(C3CCCC3)n2)CCCC[C@@H]1O ZINC000087931701 179526426 /nfs/dbraw/zinc/52/64/26/179526426.db2.gz OCRSWMIOVVBPJY-JKSUJKDBSA-N 1 0 277.412 2.421 10 0 CEAERO [NH3+]C[C@]1(Cc2ccc(F)cc2F)CCCC[C@@H]1O ZINC000087931541 179526588 /nfs/dbraw/zinc/52/65/88/179526588.db2.gz BDNZDXXYGIJVAD-UONOGXRCSA-N 1 0 255.308 2.387 10 0 CEAERO c1cc([C@H]2C[N@H+](Cc3ccccc3)CCCO2)n[nH]1 ZINC000616651160 348548553 /nfs/dbraw/zinc/54/85/53/348548553.db2.gz KGVBLGVHUZUQBT-OAHLLOKOSA-N 1 0 257.337 2.373 10 0 CEAERO CC(C)(C)c1ccc(C[C@@H]([NH3+])[C@H]2COCCO2)cc1 ZINC000087857274 179502286 /nfs/dbraw/zinc/50/22/86/179502286.db2.gz UBMOSTVKUARFGG-HUUCEWRRSA-N 1 0 263.381 2.269 10 0 CEAERO C[NH2+][C@H](Cc1c(C)cc(C)cc1C)[C@@H]1COCCO1 ZINC000087857500 179502389 /nfs/dbraw/zinc/50/23/89/179502389.db2.gz GDWMBNDXYJVEDZ-CVEARBPZSA-N 1 0 263.381 2.158 10 0 CEAERO CC(C)=CC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000616569794 348523472 /nfs/dbraw/zinc/52/34/72/348523472.db2.gz KHAAPPJMKUWTHJ-CABCVRRESA-N 1 0 258.365 2.215 10 0 CEAERO [NH3+][C@H]1CN(C(=O)C2CCC2)CC[C@H]1c1cccc(F)c1 ZINC000616569601 348523474 /nfs/dbraw/zinc/52/34/74/348523474.db2.gz IZRVUEVHXQTLPD-GJZGRUSLSA-N 1 0 276.355 2.269 10 0 CEAERO [NH3+]C[C@@H](S[C@@H]1CCOC1)C(F)(F)C(F)(F)F ZINC000616569522 348523510 /nfs/dbraw/zinc/52/35/10/348523510.db2.gz LYTGMCLINBTHCS-PHDIDXHHSA-N 1 0 265.247 2.033 10 0 CEAERO C/C=C(\C)C(=O)N1CC[C@H](c2cccc(F)c2)[C@@H]([NH3+])C1 ZINC000616573015 348524077 /nfs/dbraw/zinc/52/40/77/348524077.db2.gz YNDLGRIKWYJKML-CFRHYJNPSA-N 1 0 276.355 2.435 10 0 CEAERO CC[N@@H+]1CCOCC[C@@H]1c1ccc(NC(C)=O)cc1 ZINC000616599822 348529923 /nfs/dbraw/zinc/52/99/23/348529923.db2.gz XJVLWKXHQSWNGK-OAHLLOKOSA-N 1 0 262.353 2.428 10 0 CEAERO NNc1cc(Nc2ccc(F)cc2Cl)nc[nH+]1 ZINC000087880935 179508864 /nfs/dbraw/zinc/50/88/64/179508864.db2.gz XFOMRUAXMUTMMP-UHFFFAOYSA-N 1 0 253.668 2.298 10 0 CEAERO Cc1csc([C@@H](C)Nc2nc[nH+]c(NN)c2C)n1 ZINC000087881475 179509323 /nfs/dbraw/zinc/50/93/23/179509323.db2.gz IRICVJHXMLVYQD-MRVPVSSYSA-N 1 0 264.358 2.009 10 0 CEAERO CC(=O)Nc1ccc([C@@H]2CCC[N@H+](CCO)CC2)cc1 ZINC000616600588 348530902 /nfs/dbraw/zinc/53/09/02/348530902.db2.gz HAJRVVLMQNFDPL-CQSZACIVSA-N 1 0 276.380 2.207 10 0 CEAERO c1ccc(CN2CCOCC[C@@H]2c2cncnc2)cc1 ZINC000616658474 348551142 /nfs/dbraw/zinc/55/11/42/348551142.db2.gz LPNQGQBTAAGFLT-MRXNPFEDSA-N 1 0 269.348 2.440 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1coc(C2CCC2)n1 ZINC000248751782 539647725 /nfs/dbraw/zinc/64/77/25/539647725.db2.gz HASSGJFRORHGTE-AAEUAGOBSA-N 1 0 289.379 2.251 10 0 CEAERO [NH3+]CCN1CCCC[C@H]1c1cc2ccccc2nn1 ZINC000616616693 348535907 /nfs/dbraw/zinc/53/59/07/348535907.db2.gz UCMQNAPCWPBMFY-HNNXBMFYSA-N 1 0 256.353 2.116 10 0 CEAERO CCOC(=O)c1ccc([C@@H]2CCC[N@H+](CCO)C2)cc1 ZINC000616619756 348536431 /nfs/dbraw/zinc/53/64/31/348536431.db2.gz AVUACXDQHSUXEL-OAHLLOKOSA-N 1 0 277.364 2.035 10 0 CEAERO CSc1nc(NC2C(C)(C)C2(C)C)cc(NN)[nH+]1 ZINC000087893185 179515303 /nfs/dbraw/zinc/51/53/03/179515303.db2.gz HTMVBEMFMWMBNP-UHFFFAOYSA-N 1 0 267.402 2.331 10 0 CEAERO Nc1ncccc1C[C@H]([NH3+])[C@@H]1CCc2ccccc21 ZINC000088030427 179537232 /nfs/dbraw/zinc/53/72/32/179537232.db2.gz BSESCGSZPACHSS-CABCVRRESA-N 1 0 253.349 2.264 10 0 CEAERO C[C@H]([NH3+])C[S@](=O)Cc1ccc(F)cc1Br ZINC000088069506 179543836 /nfs/dbraw/zinc/54/38/36/179543836.db2.gz OVWGEVQXUSNDNX-NZFNHWASSA-N 1 0 294.189 2.184 10 0 CEAERO CC(C)([NH3+])C[S@](=O)Cc1ccc(Br)s1 ZINC000088071764 179544749 /nfs/dbraw/zinc/54/47/49/179544749.db2.gz SLZUTMMPKFOWDN-AWEZNQCLSA-N 1 0 296.255 2.497 10 0 CEAERO COc1cccc(F)c1[C@H]([NH3+])c1ccc2[nH]c(=O)oc2c1 ZINC000088080138 179545398 /nfs/dbraw/zinc/54/53/98/179545398.db2.gz BUXXGTUHUQFXRO-CQSZACIVSA-N 1 0 288.278 2.317 10 0 CEAERO C[C@H](CC[NH3+])[S@](=O)Cc1sccc1Br ZINC000088087908 179546454 /nfs/dbraw/zinc/54/64/54/179546454.db2.gz IDXHYCVFJDVDQZ-UOWDBTKRSA-N 1 0 296.255 2.497 10 0 CEAERO CC(C)c1nsc(N2CCC[C@H](C)[C@H]2C[NH3+])n1 ZINC000087642786 539653309 /nfs/dbraw/zinc/65/33/09/539653309.db2.gz XVEGMVNRSRRWNT-VHSXEESVSA-N 1 0 254.403 2.225 10 0 CEAERO c1nocc1[C@H]1COCC[N@@H+](Cc2ccccc2)C1 ZINC000616662711 348553771 /nfs/dbraw/zinc/55/37/71/348553771.db2.gz KMEDVJNSQUJBBE-OAHLLOKOSA-N 1 0 258.321 2.291 10 0 CEAERO COc1ccc2nc(-c3cccc(CC[NH3+])c3)[nH]c2n1 ZINC000088192907 179562694 /nfs/dbraw/zinc/56/26/94/179562694.db2.gz HPTSGTXHNJXHMI-UHFFFAOYSA-N 1 0 268.320 2.135 10 0 CEAERO c1ccc(C[N@@H+]2CCOC[C@H](c3ccncn3)C2)cc1 ZINC000616662452 348553930 /nfs/dbraw/zinc/55/39/30/348553930.db2.gz IASZYURPVZCBHC-OAHLLOKOSA-N 1 0 269.348 2.093 10 0 CEAERO OCCc1cccc([C@@H]2c3ccccc3CC[N@H+]2CCO)c1 ZINC000616679471 348557992 /nfs/dbraw/zinc/55/79/92/348557992.db2.gz UMVJIGREWKKAAH-LJQANCHMSA-N 1 0 297.398 2.161 10 0 CEAERO [NH3+]CCN1c2ccccc2NC[C@H]1c1ccc(CCO)cc1 ZINC000616686706 348560646 /nfs/dbraw/zinc/56/06/46/348560646.db2.gz POQLOPALJVRBHW-SFHVURJKSA-N 1 0 297.402 2.153 10 0 CEAERO [NH3+]CC1(C(=O)Nc2ccc(F)cn2)CCCCC1 ZINC000088248350 179570600 /nfs/dbraw/zinc/57/06/00/179570600.db2.gz PLQQVYMAMSZGGN-UHFFFAOYSA-N 1 0 251.305 2.068 10 0 CEAERO c1ccc2c(c1)C[C@H](c1noc(C[C@H]3CCC[NH2+]3)n1)CO2 ZINC000087996372 179532441 /nfs/dbraw/zinc/53/24/41/179532441.db2.gz MTZCDQREMFXDQA-QWHCGFSZSA-N 1 0 285.347 2.083 10 0 CEAERO COc1ccccc1OCC[NH2+]CC[C@H]1CCCO1 ZINC000088400049 179592953 /nfs/dbraw/zinc/59/29/53/179592953.db2.gz IXDVZKLJEWAVQV-CYBMUJFWSA-N 1 0 265.353 2.233 10 0 CEAERO CCOc1ccccc1OCCC[C@H](COC)[NH2+]C ZINC000088413345 179594642 /nfs/dbraw/zinc/59/46/42/179594642.db2.gz FEDKHBHZOOKALT-CYBMUJFWSA-N 1 0 267.369 2.479 10 0 CEAERO OC[C@@]1(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)CCCOC1 ZINC000088437049 179601943 /nfs/dbraw/zinc/60/19/43/179601943.db2.gz TYBQCIIXIOTCGE-RYUDHWBXSA-N 1 0 281.318 2.050 10 0 CEAERO CCC[NH2+][C@@](CO)(CN(C)CCC(F)(F)F)C1CC1 ZINC000088439559 179602714 /nfs/dbraw/zinc/60/27/14/179602714.db2.gz SALQIWBETHAZKJ-GFCCVEGCSA-N 1 0 282.350 2.011 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H](C(=O)N(C)c2ccc(F)cc2)C1 ZINC000088450778 179605919 /nfs/dbraw/zinc/60/59/19/179605919.db2.gz DOXZKDSBTHIKJP-WDEREUQCSA-N 1 0 250.317 2.034 10 0 CEAERO C[C@@H](c1cnn(C)c1)N1CC[NH2+]CC12CCCCC2 ZINC000088395576 179590165 /nfs/dbraw/zinc/59/01/65/179590165.db2.gz WHEWRWSGORWIKT-ZDUSSCGKSA-N 1 0 262.401 2.089 10 0 CEAERO COc1ccc(C(=O)N2CC[NH2+]CC23CCCCC3)cc1 ZINC000088396001 179591365 /nfs/dbraw/zinc/59/13/65/179591365.db2.gz PDCICAITEDDJJV-UHFFFAOYSA-N 1 0 288.391 2.444 10 0 CEAERO Cc1ccccc1OC[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000088397964 179591863 /nfs/dbraw/zinc/59/18/63/179591863.db2.gz BOOJPLQUIDLRNA-HOTGVXAUSA-N 1 0 271.360 2.305 10 0 CEAERO COc1cccc(OC[C@@H](O)[C@H]([NH3+])Cc2ccccc2)c1 ZINC000088397935 179591875 /nfs/dbraw/zinc/59/18/75/179591875.db2.gz FMMPYFIXBDAFJK-IAGOWNOFSA-N 1 0 287.359 2.005 10 0 CEAERO O=C1c2cc(F)c(F)cc2C(=O)N1CC[C@@H]1CCCC[NH2+]1 ZINC000088570467 179627690 /nfs/dbraw/zinc/62/76/90/179627690.db2.gz OLMQNDOTSBHWGQ-VIFPVBQESA-N 1 0 294.301 2.093 10 0 CEAERO CCC[NH2+][C@H](Cc1ncnn1C)c1ccc(F)cc1 ZINC000088581650 179629477 /nfs/dbraw/zinc/62/94/77/179629477.db2.gz ZXUGLOVTBCIPKE-CYBMUJFWSA-N 1 0 262.332 2.238 10 0 CEAERO CCC[NH2+][C@@H](CC)c1c(C)nn(Cc2ncnn2C)c1C ZINC000088583337 179629929 /nfs/dbraw/zinc/62/99/29/179629929.db2.gz XUJNWZJCQGCDRR-ZDUSSCGKSA-N 1 0 290.415 2.127 10 0 CEAERO CC[NH2+][C@H](C)[C@H]1CCCN(Cc2ncnn2C(C)C)C1 ZINC000088584768 179630886 /nfs/dbraw/zinc/63/08/86/179630886.db2.gz LCGPWKBPOFCJKL-KGLIPLIRSA-N 1 0 279.432 2.069 10 0 CEAERO CC[NH2+][C@@H](Cc1ncnn1CC)Cc1ccccc1OC ZINC000088610962 179638003 /nfs/dbraw/zinc/63/80/03/179638003.db2.gz LWQGZMBTYTWAFN-CQSZACIVSA-N 1 0 288.395 2.070 10 0 CEAERO C[NH2+][C@H](Cc1cccs1)Cc1ncnn1C(C)C ZINC000088611623 179638633 /nfs/dbraw/zinc/63/86/33/179638633.db2.gz NAGFDBIERDFTIY-LLVKDONJSA-N 1 0 264.398 2.294 10 0 CEAERO COCC[NH2+]CC1(Cc2ncnn2C(C)C)CCCC1 ZINC000088621143 179641005 /nfs/dbraw/zinc/64/10/05/179641005.db2.gz MVOXLFBULKYXDD-UHFFFAOYSA-N 1 0 280.416 2.198 10 0 CEAERO CC(C)C[NH2+]C[C@@]1(Cc2ncnn2CC(C)C)CCOC1 ZINC000088621691 179641168 /nfs/dbraw/zinc/64/11/68/179641168.db2.gz XWICEZQOITXQFP-INIZCTEOSA-N 1 0 294.443 2.129 10 0 CEAERO CCCn1ncnc1Cn1ccc2cc(C[NH2+]C)ccc21 ZINC000088623683 179641997 /nfs/dbraw/zinc/64/19/97/179641997.db2.gz RUSGNRNRXNHKPG-UHFFFAOYSA-N 1 0 283.379 2.411 10 0 CEAERO CCn1ncnc1CN1CC(C)(C)[NH2+]CC12CCCCC2 ZINC000088625303 179642546 /nfs/dbraw/zinc/64/25/46/179642546.db2.gz OYEZUDLHOHSIQI-UHFFFAOYSA-N 1 0 291.443 2.185 10 0 CEAERO CCn1ncnc1CN1CC(CC)(CC)[NH2+]CC1(C)C ZINC000088625708 179643005 /nfs/dbraw/zinc/64/30/05/179643005.db2.gz MHSGVIBLCVYRNS-UHFFFAOYSA-N 1 0 279.432 2.041 10 0 CEAERO O=C(Nc1c(F)cc(F)cc1F)C1CC[NH2+]CC1 ZINC000088721516 179658295 /nfs/dbraw/zinc/65/82/95/179658295.db2.gz NUCZPPFNZYFJMX-UHFFFAOYSA-N 1 0 258.243 2.042 10 0 CEAERO COc1ccc(NC(=O)C[NH2+][C@@H]2CC=CCC2)cc1 ZINC000088748649 179664298 /nfs/dbraw/zinc/66/42/98/179664298.db2.gz RWSQKAQCPXPIPZ-GFCCVEGCSA-N 1 0 260.337 2.332 10 0 CEAERO CC[NH2+]CCCCS(=O)(=O)N(C)[C@@H](C)CC(C)C ZINC000089004948 179691018 /nfs/dbraw/zinc/69/10/18/179691018.db2.gz CDDGDEZJRAOMGZ-ZDUSSCGKSA-N 1 0 278.462 2.072 10 0 CEAERO CC(C)[NH2+]Cc1cccc(CS(=O)(=O)N[C@@H]2C[C@H]2C)c1 ZINC000089023924 179691895 /nfs/dbraw/zinc/69/18/95/179691895.db2.gz RZZAGBCMYCHNRB-IUODEOHRSA-N 1 0 296.436 2.012 10 0 CEAERO CC[C@]1(C(=O)N2CCC[C@@H]2C(C)C)CCC[NH2+]C1 ZINC000088837131 179681353 /nfs/dbraw/zinc/68/13/53/179681353.db2.gz KJSMZBYCLONTKW-HIFRSBDPSA-N 1 0 252.402 2.413 10 0 CEAERO Cc1cc(Cl)ccc1NC(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000104227050 185936876 /nfs/dbraw/zinc/93/68/76/185936876.db2.gz BWRSFHHKQCFELN-ONGXEEELSA-N 1 0 252.745 2.442 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@H](CC)CN1CCOC(F)(F)F ZINC000089057052 179694885 /nfs/dbraw/zinc/69/48/85/179694885.db2.gz IHXBDUHSHKEMLY-WDEREUQCSA-N 1 0 268.323 2.375 10 0 CEAERO CCCS(=O)(=O)c1ccc(N[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089092411 179699687 /nfs/dbraw/zinc/69/96/87/179699687.db2.gz VSYSSZKWWHVPBB-DOMZBBRYSA-N 1 0 296.436 2.410 10 0 CEAERO NC(=O)c1cc(Cl)ccc1N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089108702 179704280 /nfs/dbraw/zinc/70/42/80/179704280.db2.gz QVYXXWYITZBSTL-SKDRFNHKSA-N 1 0 281.787 2.368 10 0 CEAERO COc1ccc(C(=O)N(C)[C@H]2CCC[C@@H]2C[NH3+])cc1F ZINC000089110431 179705357 /nfs/dbraw/zinc/70/53/57/179705357.db2.gz ROUZTDDJUYRORS-YPMHNXCESA-N 1 0 280.343 2.034 10 0 CEAERO CC[NH2+]Cc1ccccc1S(=O)(=O)NC[C@H](C)C(C)C ZINC000089048231 179693422 /nfs/dbraw/zinc/69/34/22/179693422.db2.gz SKGCXTBUZHCDLQ-ZDUSSCGKSA-N 1 0 298.452 2.367 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1cccc2[nH]ccc21 ZINC000089090917 539688679 /nfs/dbraw/zinc/68/86/79/539688679.db2.gz QPOLPTUKIFIQGP-GXFFZTMASA-N 1 0 257.337 2.025 10 0 CEAERO CC[C@@H]([NH3+])Cc1c(N(CC)CC)nc2ccccn21 ZINC000104258294 185945887 /nfs/dbraw/zinc/94/58/87/185945887.db2.gz SWYHROJPEUHHES-GFCCVEGCSA-N 1 0 260.385 2.460 10 0 CEAERO O[C@@H](COCc1ccccc1)C[NH+]1CCCCCC1 ZINC000068048013 362934420 /nfs/dbraw/zinc/93/44/20/362934420.db2.gz ZRTPVJVBBIQYEV-MRXNPFEDSA-N 1 0 263.381 2.440 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@H]1Nc1ccc(Cn2cncn2)cc1 ZINC000089141196 179720097 /nfs/dbraw/zinc/72/00/97/179720097.db2.gz GHIPCBCTASKOSB-GDBMZVCRSA-N 1 0 285.395 2.256 10 0 CEAERO CC[C@@H]([NH3+])Cc1c(N2CCSCC2)nc2sccn12 ZINC000104272465 185950474 /nfs/dbraw/zinc/95/04/74/185950474.db2.gz HADGKAGLHMGSEI-SNVBAGLBSA-N 1 0 296.465 2.229 10 0 CEAERO CCN(C(=O)c1ccccc1F)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089113933 179708424 /nfs/dbraw/zinc/70/84/24/179708424.db2.gz VMIWHONXCDACIU-RISCZKNCSA-N 1 0 264.344 2.415 10 0 CEAERO C[C@@]1(CNc2ncnc3ccsc32)CCC[NH2+]C1 ZINC000129296602 187421562 /nfs/dbraw/zinc/42/15/62/187421562.db2.gz NXRJMJPUXCSIOY-CYBMUJFWSA-N 1 0 262.382 2.493 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@H](C)CN1Cc1nn(C)c2ccccc12 ZINC000089180293 179743878 /nfs/dbraw/zinc/74/38/78/179743878.db2.gz WXIGIEYZSKHYRD-DYVFJYSZSA-N 1 0 286.423 2.392 10 0 CEAERO Cc1cc(COC2(C[NH3+])CCCCCC2)n(C)n1 ZINC000089180814 179744774 /nfs/dbraw/zinc/74/47/74/179744774.db2.gz CRBRTJJQHMHGAC-UHFFFAOYSA-N 1 0 251.374 2.297 10 0 CEAERO CCn1nc(C)cc1COCC[C@@H]1CCCC[NH2+]1 ZINC000089186758 179747760 /nfs/dbraw/zinc/74/77/60/179747760.db2.gz GHHRSFKLOLMMEY-ZDUSSCGKSA-N 1 0 251.374 2.260 10 0 CEAERO CC[NH2+][C@H](Cc1cc(CC)nn1C)c1ccncc1 ZINC000089193030 179750009 /nfs/dbraw/zinc/75/00/09/179750009.db2.gz UQTKNWCTTKYCGI-OAHLLOKOSA-N 1 0 258.369 2.271 10 0 CEAERO CCC(=O)Nc1ccc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089453164 539716750 /nfs/dbraw/zinc/71/67/50/539716750.db2.gz YEJODFYMEIYADB-SMDDNHRTSA-N 1 0 289.379 2.349 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1ccccc1-n1ccnc1 ZINC000089451599 539717292 /nfs/dbraw/zinc/71/72/92/539717292.db2.gz CRFUGOGCRYSXOG-QWHCGFSZSA-N 1 0 284.363 2.186 10 0 CEAERO COCCOc1cccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000089454794 539717332 /nfs/dbraw/zinc/71/73/32/539717332.db2.gz YSRVMJIGDIFOHC-WFASDCNBSA-N 1 0 292.379 2.025 10 0 CEAERO CCc1cc(CN2CC[NH2+]C[C@H]2C2CCCCC2)n(C)n1 ZINC000089208676 179754832 /nfs/dbraw/zinc/75/48/32/179754832.db2.gz DTLHHDZVPCGMDQ-KRWDZBQOSA-N 1 0 290.455 2.337 10 0 CEAERO CC1CCC(CNC(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089462319 539718581 /nfs/dbraw/zinc/71/85/81/539718581.db2.gz UUYHDBUTUCVZRE-HOAMVYINSA-N 1 0 252.402 2.304 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1C(=O)NCCc1cccc(F)c1 ZINC000089388137 179778153 /nfs/dbraw/zinc/77/81/53/179778153.db2.gz LGERRFQYFHFUIS-ZFWWWQNUSA-N 1 0 278.371 2.250 10 0 CEAERO CC1CCC(C[NH3+])(NC(=O)c2cccc(F)c2)CC1 ZINC000104311241 185963199 /nfs/dbraw/zinc/96/31/99/185963199.db2.gz VVMOMFSJKRVMSD-UHFFFAOYSA-N 1 0 264.344 2.463 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1cccc(-c2nnco2)c1 ZINC000089459650 179795390 /nfs/dbraw/zinc/79/53/90/179795390.db2.gz OIUVALLFJKAPOA-WCQYABFASA-N 1 0 286.335 2.050 10 0 CEAERO CN(C(=O)[C@H]1CCC[C@@H]1C[NH3+])c1ccccc1F ZINC000089461269 179795768 /nfs/dbraw/zinc/79/57/68/179795768.db2.gz WVSATHAGKHFZAR-MNOVXSKESA-N 1 0 250.317 2.164 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1CNS(=O)(=O)C1CCCCC1 ZINC000089532139 179812028 /nfs/dbraw/zinc/81/20/28/179812028.db2.gz GOCHNNMFLZPXJJ-QWHCGFSZSA-N 1 0 288.457 2.004 10 0 CEAERO NC(=O)c1ccc(COC[C@H]2CCCC[C@@H]2C[NH3+])c(F)c1 ZINC000089535178 179812422 /nfs/dbraw/zinc/81/24/22/179812422.db2.gz MENTZUHMLWQIQG-CHWSQXEVSA-N 1 0 294.370 2.206 10 0 CEAERO NC(=O)c1cccc(COC[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000089535154 179812630 /nfs/dbraw/zinc/81/26/30/179812630.db2.gz LJXKTWOPHUWIQN-HUUCEWRRSA-N 1 0 276.380 2.067 10 0 CEAERO C[NH2+]C1CCC(O)([C@@H]2CCc3ccccc3N2)CC1 ZINC000089539557 179814076 /nfs/dbraw/zinc/81/40/76/179814076.db2.gz WVNNSMIFVPKVRO-SIWZUTFBSA-N 1 0 260.381 2.306 10 0 CEAERO COc1cccc(N[C@H]2c3ccccc3C[C@H]2[NH3+])n1 ZINC000104324415 185969393 /nfs/dbraw/zinc/96/93/93/185969393.db2.gz OJJCYNJFMYHFJL-DOMZBBRYSA-N 1 0 255.321 2.127 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)N1CCC(C(F)(F)F)CC1 ZINC000089482500 179800991 /nfs/dbraw/zinc/80/09/91/179800991.db2.gz CTQXIQKZTQCCBW-KOLCDFICSA-N 1 0 278.318 2.162 10 0 CEAERO Cc1ccc(F)c(C(=O)NC[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000089500484 179805121 /nfs/dbraw/zinc/80/51/21/179805121.db2.gz RJORHBUSJWZIIM-RYUDHWBXSA-N 1 0 264.344 2.239 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1CNC(=O)c1cc(F)cc(F)c1 ZINC000089500780 179805361 /nfs/dbraw/zinc/80/53/61/179805361.db2.gz LXNWBRIQBWFCRC-UWVGGRQHSA-N 1 0 268.307 2.070 10 0 CEAERO COc1ccc(C)cc1C(=O)NC[C@H]1CCC[C@H]1C[NH3+] ZINC000089500809 179805422 /nfs/dbraw/zinc/80/54/22/179805422.db2.gz MEYGCXLSUJVNRX-QWHCGFSZSA-N 1 0 276.380 2.108 10 0 CEAERO COc1ccc(C(=O)NC[C@@H]2CCCC[C@@H]2C[NH3+])cc1F ZINC000089530800 179810495 /nfs/dbraw/zinc/81/04/95/179810495.db2.gz SVECQOILAPUIBE-OLZOCXBDSA-N 1 0 294.370 2.329 10 0 CEAERO Cc1ccc(C(=O)NC[C@@H]2CCCC[C@H]2C[NH3+])o1 ZINC000089531826 179811074 /nfs/dbraw/zinc/81/10/74/179811074.db2.gz AOYYFDNVGWEEAN-RYUDHWBXSA-N 1 0 250.342 2.083 10 0 CEAERO CC(C)(C)OC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccc(F)cc1 ZINC000068575200 362944544 /nfs/dbraw/zinc/94/45/44/362944544.db2.gz NGLYODSLROCQTQ-QWHCGFSZSA-N 1 0 280.343 2.406 10 0 CEAERO C[C@H](NC(=O)C[C@H]1CC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000089741919 179857804 /nfs/dbraw/zinc/85/78/04/179857804.db2.gz XAMULGHKOMBONY-VHSXEESVSA-N 1 0 268.307 2.142 10 0 CEAERO CC[C@H](NC(=O)C[C@@H]1CC[NH2+]C1)c1cccs1 ZINC000089747276 179859314 /nfs/dbraw/zinc/85/93/14/179859314.db2.gz QNBXIEUROIXMCH-QWRGUYRKSA-N 1 0 252.383 2.315 10 0 CEAERO C[NH2+][C@H](C)c1ccc(C)cc1OCCCS(C)(=O)=O ZINC000104342364 185976979 /nfs/dbraw/zinc/97/69/79/185976979.db2.gz GURGDYWJIXZHJZ-GFCCVEGCSA-N 1 0 285.409 2.089 10 0 CEAERO CC(C)(C)OC(=O)N[C@H]1C[NH2+]C[C@H]1c1ccc(F)cc1 ZINC000068575202 362944366 /nfs/dbraw/zinc/94/43/66/362944366.db2.gz NGLYODSLROCQTQ-STQMWFEESA-N 1 0 280.343 2.406 10 0 CEAERO COc1ccc(OCC[NH2+]C[C@@](C)(O)CC(C)C)cc1 ZINC000090272132 179944489 /nfs/dbraw/zinc/94/44/89/179944489.db2.gz LHYSSDWFOWGXTL-INIZCTEOSA-N 1 0 281.396 2.461 10 0 CEAERO CC(C)C[C@](C)(O)C[NH2+]C[C@H](O)c1ccccc1F ZINC000090271782 179944856 /nfs/dbraw/zinc/94/48/56/179944856.db2.gz DUWNWRDAJWGNHD-GJZGRUSLSA-N 1 0 269.360 2.246 10 0 CEAERO CN([C@@H](c1ccccc1)c1ccc(O)cc1)C1C[NH2+]C1 ZINC000090289560 179949649 /nfs/dbraw/zinc/94/96/49/179949649.db2.gz ZIPXRJWHOJWJGM-KRWDZBQOSA-N 1 0 268.360 2.385 10 0 CEAERO O=C(c1cc2ccccc2s1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090321403 179957755 /nfs/dbraw/zinc/95/77/55/179957755.db2.gz MTXNHZYBMSWZCX-VXGBXAGGSA-N 1 0 272.373 2.193 10 0 CEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C(=O)c1c(C)oc(C)c1C ZINC000090330264 179961250 /nfs/dbraw/zinc/96/12/50/179961250.db2.gz KBLLCCDFWDYIEU-HZSPNIEDSA-N 1 0 276.380 2.275 10 0 CEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C(=O)c1cccc(C)c1C ZINC000090331088 179962136 /nfs/dbraw/zinc/96/21/36/179962136.db2.gz DTMCDLCYHNQRMI-VNQPRFMTSA-N 1 0 272.392 2.373 10 0 CEAERO CCCc1ccc([C@@H]2C[S@@](=O)CCC[NH2+]2)cc1 ZINC000090344242 179969469 /nfs/dbraw/zinc/96/94/69/179969469.db2.gz UKXHGISXOMKGRZ-WMLDXEAASA-N 1 0 251.395 2.422 10 0 CEAERO CC[C@@H]1CCCCN1C(=O)CSC[C@H](C)C[NH3+] ZINC000090350232 179971976 /nfs/dbraw/zinc/97/19/76/179971976.db2.gz YIFZVMMIPUAYMQ-VXGBXAGGSA-N 1 0 258.431 2.106 10 0 CEAERO C[C@@H](C[NH3+])CSCC(=O)Nc1cccnc1Cl ZINC000090349847 179972304 /nfs/dbraw/zinc/97/23/04/179972304.db2.gz BTLAOKUAQATACJ-QMMMGPOBSA-N 1 0 273.789 2.002 10 0 CEAERO C[C@@H](NC(=O)CS[C@@H](C)CC[NH3+])c1cccs1 ZINC000090354439 179973685 /nfs/dbraw/zinc/97/36/85/179973685.db2.gz SJNZNUZGEUEXDJ-VHSXEESVSA-N 1 0 272.439 2.396 10 0 CEAERO C[C@@H](CC[NH3+])SCC(=O)NC[C@@H](C)c1ccccc1 ZINC000090354718 179973991 /nfs/dbraw/zinc/97/39/91/179973991.db2.gz RQNJZQCWOOZSHZ-OLZOCXBDSA-N 1 0 280.437 2.377 10 0 CEAERO CN1C[C@@H](C[NH2+]Cc2c(F)ccc(F)c2Cl)CC1=O ZINC000623571530 350054081 /nfs/dbraw/zinc/05/40/81/350054081.db2.gz ZSBSGPORMFDRAI-MRVPVSSYSA-N 1 0 288.725 2.186 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)N[C@H](C)c1ccc(OC)cc1 ZINC000090310143 179954945 /nfs/dbraw/zinc/95/49/45/179954945.db2.gz LIAUIYJLYVABHP-YPMHNXCESA-N 1 0 264.369 2.247 10 0 CEAERO C[NH2+]Cc1c(SCCCOC)nc2sccn12 ZINC000104441824 186003115 /nfs/dbraw/zinc/00/31/15/186003115.db2.gz HSUNHPRWRCDMDC-UHFFFAOYSA-N 1 0 271.411 2.244 10 0 CEAERO CC[NH2+][C@H]1COC[C@H]1c1nnc(C)n1C1CCCCC1 ZINC000090475456 179989786 /nfs/dbraw/zinc/98/97/86/179989786.db2.gz DSUBMAHUUUOZGI-KGLIPLIRSA-N 1 0 278.400 2.184 10 0 CEAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1csc2ccccc12 ZINC000623765869 350106278 /nfs/dbraw/zinc/10/62/78/350106278.db2.gz XRHXQVHFBFFPNL-STQMWFEESA-N 1 0 263.362 2.141 10 0 CEAERO CC[NH2+][C@@H]1COC[C@@H]1C(=O)N[C@@H](C)c1ccccc1Cl ZINC000090491414 179992270 /nfs/dbraw/zinc/99/22/70/179992270.db2.gz JUBPLCUSRDZTDF-VHRBIJSZSA-N 1 0 296.798 2.142 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1c1nc2c(cccc2F)n1C ZINC000090527002 179997894 /nfs/dbraw/zinc/99/78/94/179997894.db2.gz NTBSFFXMQMOVHD-PWSUYJOCSA-N 1 0 277.343 2.194 10 0 CEAERO Cc1cccc(Cl)c1NC(=O)COC1CC[NH2+]CC1 ZINC000090537290 179999483 /nfs/dbraw/zinc/99/94/83/179999483.db2.gz XJRGYPNGSKJZMY-UHFFFAOYSA-N 1 0 282.771 2.356 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccc(C)c(F)c1 ZINC000090539058 180000164 /nfs/dbraw/zinc/00/01/64/180000164.db2.gz UYMVHYMPISZHMM-TZMCWYRMSA-N 1 0 280.343 2.087 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)Nc1cccc(Cl)c1 ZINC000090538862 180000232 /nfs/dbraw/zinc/00/02/32/180000232.db2.gz DLMUIRZRFKOFKE-OLZOCXBDSA-N 1 0 282.771 2.293 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000090538876 180000282 /nfs/dbraw/zinc/00/02/82/180000282.db2.gz KRLCXWRGEQXLAI-CHWSQXEVSA-N 1 0 282.771 2.293 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)NC(C)(C)CC(C)(C)C ZINC000090541299 180000381 /nfs/dbraw/zinc/00/03/81/180000381.db2.gz HZPVVOYMJDJCLZ-QWHCGFSZSA-N 1 0 284.444 2.332 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)NCCC1CCCCC1 ZINC000090541497 180000401 /nfs/dbraw/zinc/00/04/01/180000401.db2.gz FZOJSIVUZPQHRL-CABCVRRESA-N 1 0 282.428 2.088 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1cccc(OCC)c1 ZINC000090541583 180000529 /nfs/dbraw/zinc/00/05/29/180000529.db2.gz KYDMBXLYNJJHHH-GJZGRUSLSA-N 1 0 292.379 2.038 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1cc(C)cc(C)c1 ZINC000090539028 180000536 /nfs/dbraw/zinc/00/05/36/180000536.db2.gz XJQURCPPRPUENM-GJZGRUSLSA-N 1 0 276.380 2.257 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccc(SC)cc1 ZINC000090538590 180000593 /nfs/dbraw/zinc/00/05/93/180000593.db2.gz ZFRPUCIWUAXWQU-ZIAGYGMSSA-N 1 0 294.420 2.362 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)N(CC)c1ccccc1F ZINC000090544472 180001287 /nfs/dbraw/zinc/00/12/87/180001287.db2.gz HWINPYQDWPEEBW-TZMCWYRMSA-N 1 0 294.370 2.193 10 0 CEAERO C[C@H](c1ccccc1)N(C)C(=O)CSCC1C[NH2+]C1 ZINC000090712316 180028641 /nfs/dbraw/zinc/02/86/41/180028641.db2.gz ABPCSOKPJMMSCP-GFCCVEGCSA-N 1 0 278.421 2.159 10 0 CEAERO COc1cc(C)c(CSCC2C[NH2+]C2)cc1OC ZINC000090712547 180028645 /nfs/dbraw/zinc/02/86/45/180028645.db2.gz BWCFFZPXBJUYTK-UHFFFAOYSA-N 1 0 267.394 2.465 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1CN(C)Cc1ccccc1OC ZINC000090566339 180005342 /nfs/dbraw/zinc/00/53/42/180005342.db2.gz TXKITIUIIAFRRV-CVEARBPZSA-N 1 0 292.423 2.142 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1CN(C)Cc1ccsc1 ZINC000090566148 180005732 /nfs/dbraw/zinc/00/57/32/180005732.db2.gz FBWSEHHRTIOORW-ZIAGYGMSSA-N 1 0 268.426 2.195 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1CN(CC(F)(F)F)C1CC1 ZINC000090566606 180006387 /nfs/dbraw/zinc/00/63/87/180006387.db2.gz SVJRWAVBXGYITQ-CMPLNLGQSA-N 1 0 280.334 2.028 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1CN(Cc1ccco1)C1CC1 ZINC000090566582 180006512 /nfs/dbraw/zinc/00/65/12/180006512.db2.gz VYNUOFQODDOKKG-XJKSGUPXSA-N 1 0 278.396 2.259 10 0 CEAERO CC(C)c1ccc(-c2noc([C@@]3(C)COC[C@H]3[NH3+])n2)cc1 ZINC000090573422 180007504 /nfs/dbraw/zinc/00/75/04/180007504.db2.gz UOKQXLAEXJRAPV-CJNGLKHVSA-N 1 0 287.363 2.475 10 0 CEAERO CC[C@H](NC(=O)[C@]1(C)COC[C@@H]1[NH3+])c1ccc(Cl)cc1 ZINC000090586532 180009327 /nfs/dbraw/zinc/00/93/27/180009327.db2.gz DXAATAIZTYNILH-KCQAQPDRSA-N 1 0 296.798 2.271 10 0 CEAERO CCOc1ccc(Cl)cc1NC(=O)[C@]1(C)COC[C@@H]1[NH3+] ZINC000090590092 180010163 /nfs/dbraw/zinc/01/01/63/180010163.db2.gz QNAHQVUNWSKIJK-GXTWGEPZSA-N 1 0 298.770 2.041 10 0 CEAERO CC(C)c1ccc(CN(C)C(=O)[C@]2(C)COC[C@H]2[NH3+])cc1 ZINC000090591466 180010173 /nfs/dbraw/zinc/01/01/73/180010173.db2.gz WIYOZWIGCBBCBK-NVXWUHKLSA-N 1 0 290.407 2.132 10 0 CEAERO COC(C[C@@H](C[NH3+])N1CCCCc2ccccc21)OC ZINC000090625464 180015821 /nfs/dbraw/zinc/01/58/21/180015821.db2.gz LURFDJHSKLVKPD-AWEZNQCLSA-N 1 0 278.396 2.166 10 0 CEAERO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1cn(CCCO)nn1 ZINC000090638244 180017443 /nfs/dbraw/zinc/01/74/43/180017443.db2.gz KORLZPKHQDPFRG-GJZGRUSLSA-N 1 0 294.443 2.355 10 0 CEAERO CCOC(=O)[C@](C)([NH3+])C[C@@H](C)O[C@@H](C)C(F)(F)F ZINC000090674276 180021739 /nfs/dbraw/zinc/02/17/39/180021739.db2.gz DOIHKCABWQJSOG-KHQFGBGNSA-N 1 0 271.279 2.013 10 0 CEAERO CCOCCC[NH2+]C[C@@H](C)O[C@H](C)C(F)(F)F ZINC000090675788 180022153 /nfs/dbraw/zinc/02/21/53/180022153.db2.gz DHWYFWTZSPMKIK-NXEZZACHSA-N 1 0 257.296 2.359 10 0 CEAERO C[C@H](C[NH2+]C[C@@H]1CCCO1)O[C@@H](C)C(F)(F)F ZINC000090675833 180022324 /nfs/dbraw/zinc/02/23/24/180022324.db2.gz MPBNBNRKAICVKG-UTLUCORTSA-N 1 0 255.280 2.111 10 0 CEAERO Cc1ccncc1[C@H]([NH3+])c1ccc2nccnc2c1 ZINC000090709899 180027881 /nfs/dbraw/zinc/02/78/81/180027881.db2.gz CXZISTHZDRTZFT-OAHLLOKOSA-N 1 0 250.305 2.381 10 0 CEAERO CCCC(=O)N1CCCSC[C@H]1C[NH+]1CCCC1 ZINC000090700517 180028062 /nfs/dbraw/zinc/02/80/62/180028062.db2.gz AIDQWRGPWVCNTF-CYBMUJFWSA-N 1 0 270.442 2.216 10 0 CEAERO COC(=O)c1cc(NCCCC[N@H+](C)C(C)C)ccn1 ZINC000090737920 180034293 /nfs/dbraw/zinc/03/42/93/180034293.db2.gz DMHGLRYRGQZBJS-UHFFFAOYSA-N 1 0 279.384 2.401 10 0 CEAERO COC(=O)c1cc(NCC[NH+]2CCCCCC2)ccn1 ZINC000090737496 180034409 /nfs/dbraw/zinc/03/44/09/180034409.db2.gz XKOYOKKCAXHZHA-UHFFFAOYSA-N 1 0 277.368 2.156 10 0 CEAERO CCCOc1cc(NC[C@@H]2CCC[C@@H]2C[NH3+])ncn1 ZINC000090785737 180039944 /nfs/dbraw/zinc/03/99/44/180039944.db2.gz WJZLUEULGBXSDZ-NEPJUHHUSA-N 1 0 264.373 2.052 10 0 CEAERO CCCOc1cc(O[C@H]2CCCC[C@H]2C[NH3+])ncn1 ZINC000090785421 180040211 /nfs/dbraw/zinc/04/02/11/180040211.db2.gz IPTKSSLHUVAMNZ-RYUDHWBXSA-N 1 0 265.357 2.162 10 0 CEAERO CCCOc1cc(NC[C@@H]2CCCC[C@@H]2[NH3+])ncn1 ZINC000090785729 180040274 /nfs/dbraw/zinc/04/02/74/180040274.db2.gz YWQYFTPBDBVVIZ-RYUDHWBXSA-N 1 0 264.373 2.195 10 0 CEAERO CCCOc1cc(N[C@@H]2CCCC[C@@H]2C[NH3+])ncn1 ZINC000090785278 180040300 /nfs/dbraw/zinc/04/03/00/180040300.db2.gz PLDNQKVWAAQWJK-VXGBXAGGSA-N 1 0 264.373 2.195 10 0 CEAERO CCC[NH2+]C[C@H]1CCCN1c1cc(OC(C)C)ncn1 ZINC000090786374 180040571 /nfs/dbraw/zinc/04/05/71/180040571.db2.gz RFWSIKHHADHWEE-CYBMUJFWSA-N 1 0 278.400 2.232 10 0 CEAERO CCC(CC)N(CC[NH3+])c1cc(OC(C)C)ncn1 ZINC000090786645 180040739 /nfs/dbraw/zinc/04/07/39/180040739.db2.gz UDKWVPQYGXTVPD-UHFFFAOYSA-N 1 0 266.389 2.218 10 0 CEAERO COc1cc(N[C@@]2(C[NH3+])CCC[C@H](C)C2)nc(C)n1 ZINC000090787498 180040892 /nfs/dbraw/zinc/04/08/92/180040892.db2.gz XFVKRNXJGPFCDE-HZMBPMFUSA-N 1 0 264.373 2.113 10 0 CEAERO CCOc1cc(NC[C@@H]2CCCC[C@H]2[NH3+])nc(C)n1 ZINC000090788415 180041326 /nfs/dbraw/zinc/04/13/26/180041326.db2.gz AFBYOMYFFZRQQV-NWDGAFQWSA-N 1 0 264.373 2.113 10 0 CEAERO CCOc1ncnc(O[C@H]2CCCC[C@H]2C[NH3+])c1C ZINC000090789856 180041927 /nfs/dbraw/zinc/04/19/27/180041927.db2.gz SQOSNFOACQUCNL-RYUDHWBXSA-N 1 0 265.357 2.080 10 0 CEAERO COc1cc(NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)ncn1 ZINC000090790323 180042256 /nfs/dbraw/zinc/04/22/56/180042256.db2.gz KQVNXXMZKIHIEN-SWLSCSKDSA-N 1 0 278.400 2.408 10 0 CEAERO CC[NH2+][C@H]1C[C@@H](Oc2cccc(S(C)(=O)=O)c2)C1(C)C ZINC000090862049 180047001 /nfs/dbraw/zinc/04/70/01/180047001.db2.gz NRNFPHSPIJUCAM-UONOGXRCSA-N 1 0 297.420 2.246 10 0 CEAERO C[NH2+][C@H]1C[C@@H](OCC2CCOCC2)C12CCCC2 ZINC000090863607 180047752 /nfs/dbraw/zinc/04/77/52/180047752.db2.gz WFYDWVPMHWKQSL-UONOGXRCSA-N 1 0 253.386 2.350 10 0 CEAERO CNC(=O)CCCSc1cccc(C[NH2+]C)c1 ZINC000090870811 180049051 /nfs/dbraw/zinc/04/90/51/180049051.db2.gz CGJREZQBAPJWJD-UHFFFAOYSA-N 1 0 252.383 2.024 10 0 CEAERO CC[NH2+]Cc1cccc(S[C@@H](C)C(=O)N(C)C)c1 ZINC000090871084 180049166 /nfs/dbraw/zinc/04/91/66/180049166.db2.gz NYIXLLOAPAPABM-NSHDSACASA-N 1 0 266.410 2.365 10 0 CEAERO CCCN(C[C@@H]1Cc2ccccc2O1)C(C)(C)C[NH3+] ZINC000090874041 180049829 /nfs/dbraw/zinc/04/98/29/180049829.db2.gz HNAYYVGFIALRSL-AWEZNQCLSA-N 1 0 262.397 2.439 10 0 CEAERO COCC[NH2+]Cc1cccc(SCC(=O)OC(C)C)c1 ZINC000090873061 180049885 /nfs/dbraw/zinc/04/98/85/180049885.db2.gz JFCPTQKFXCELFX-UHFFFAOYSA-N 1 0 297.420 2.466 10 0 CEAERO CC(C)C[NH2+]Cc1cccc(SCC(N)=O)c1 ZINC000090872925 180050227 /nfs/dbraw/zinc/05/02/27/180050227.db2.gz RNGZVHIYPARDGD-UHFFFAOYSA-N 1 0 252.383 2.010 10 0 CEAERO CC(C)C[NH2+]CCN(C)C[C@H]1Cc2ccccc2O1 ZINC000090875399 180051154 /nfs/dbraw/zinc/05/11/54/180051154.db2.gz SISDSANVTWLOJM-OAHLLOKOSA-N 1 0 262.397 2.168 10 0 CEAERO COCC[NH2+]C[C@@]1(C[C@H]2Cc3ccccc3O2)CCOC1 ZINC000090877337 180051988 /nfs/dbraw/zinc/05/19/88/180051988.db2.gz ZRNOJKBHJDKWSE-WBVHZDCISA-N 1 0 291.391 2.023 10 0 CEAERO Cc1ncc(C[NH2+]C2CC2)n1C[C@@H]1Cc2ccccc2O1 ZINC000090877818 180052434 /nfs/dbraw/zinc/05/24/34/180052434.db2.gz KUTZIZDWBUIKJR-INIZCTEOSA-N 1 0 283.375 2.447 10 0 CEAERO Fc1ccc2c(c1)C[C@@H](C[NH2+]CCN1CCCCC1)O2 ZINC000090892524 180054301 /nfs/dbraw/zinc/05/43/01/180054301.db2.gz KLJAGOUAGUVUQM-HNNXBMFYSA-N 1 0 278.371 2.205 10 0 CEAERO NC(=S)[C@H]1CCC[N@H+](C[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090893196 180054843 /nfs/dbraw/zinc/05/48/43/180054843.db2.gz WKFOLFTWFKFLRZ-GWCFXTLKSA-N 1 0 294.395 2.127 10 0 CEAERO CC[N@H+](C[C@@H](C)C(N)=S)C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893165 180055374 /nfs/dbraw/zinc/05/53/74/180055374.db2.gz HFOZRMOJDAJJJS-MFKMUULPSA-N 1 0 296.411 2.373 10 0 CEAERO CCN(CC)C[C@H](C)[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892628 180055435 /nfs/dbraw/zinc/05/54/35/180055435.db2.gz WUALJWPECDEEDY-WFASDCNBSA-N 1 0 280.387 2.449 10 0 CEAERO Fc1ccc2c(c1)C[C@H](CN1CCC[NH2+][C@H](C3CC3)C1)O2 ZINC000090896193 180056836 /nfs/dbraw/zinc/05/68/36/180056836.db2.gz SSMUWSJGAYNKKZ-CVEARBPZSA-N 1 0 290.382 2.203 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[NH2+][C@@H](C)Cn1cccn1)O2 ZINC000090897572 180057031 /nfs/dbraw/zinc/05/70/31/180057031.db2.gz TTXGHRMNFIJQPL-DZGCQCFKSA-N 1 0 271.364 2.173 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@H](C)CN1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090896155 180057066 /nfs/dbraw/zinc/05/70/66/180057066.db2.gz ZUJSVAUAKIMLHU-KCXAZCMYSA-N 1 0 292.398 2.448 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](COC[C@H]1CCCC[NH2+]1)O2 ZINC000090899122 180057720 /nfs/dbraw/zinc/05/77/20/180057720.db2.gz NGMVIRZEGZCANN-CABCVRRESA-N 1 0 261.365 2.457 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](Cn1cc(C[NH2+]C(C)C)nn1)O2 ZINC000090902972 180059643 /nfs/dbraw/zinc/05/96/43/180059643.db2.gz SBFVASISAOETRZ-HNNXBMFYSA-N 1 0 286.379 2.088 10 0 CEAERO C[C@@H](C[NH2+]C[C@@H]1Cc2cc(Cl)ccc2O1)N(C)C ZINC000090904429 180059756 /nfs/dbraw/zinc/05/97/56/180059756.db2.gz DXYUCPMPOYSIRW-GWCFXTLKSA-N 1 0 268.788 2.183 10 0 CEAERO CC[C@H](CO)[NH2+]C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090903526 180059886 /nfs/dbraw/zinc/05/98/86/180059886.db2.gz YAEKJGYWTYRMEN-NEPJUHHUSA-N 1 0 255.745 2.004 10 0 CEAERO [NH3+]C[C@@H](c1cc2ccccc2o1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905675 180060248 /nfs/dbraw/zinc/06/02/48/180060248.db2.gz WIBNFRVBSNESCD-MJBXVCDLSA-N 1 0 272.348 2.296 10 0 CEAERO Cc1cc(C)c([C@H]([NH3+])CN2C[C@H]3CC[C@@H](C2)O3)c(C)c1 ZINC000090906101 180060689 /nfs/dbraw/zinc/06/06/89/180060689.db2.gz PVRBJWVOZSVZSM-OWCLPIDISA-N 1 0 274.408 2.475 10 0 CEAERO CC[NH2+][C@H](CN1C[C@H]2CC[C@@H](C1)O2)c1ccc(OC)cc1 ZINC000090906116 180060938 /nfs/dbraw/zinc/06/09/38/180060938.db2.gz FEWLJXJORXMWQT-IXDOHACOSA-N 1 0 290.407 2.209 10 0 CEAERO CC(C)(C)[C@@H](CC[NH3+])CCC(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090907890 180062102 /nfs/dbraw/zinc/06/21/02/180062102.db2.gz LUKSJNROSHILSW-MCIONIFRSA-N 1 0 282.428 2.168 10 0 CEAERO CC(C)(C)[NH2+]C[C@]1(CN2C[C@H]3CC[C@@H](C2)O3)CCCOC1 ZINC000090907535 180062484 /nfs/dbraw/zinc/06/24/84/180062484.db2.gz OFJYJJCGRUORTI-UXLLHSPISA-N 1 0 296.455 2.035 10 0 CEAERO CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CN(CC)CCO2)C1 ZINC000090715094 180029649 /nfs/dbraw/zinc/02/96/49/180029649.db2.gz BRCRJDLUDILMRK-QLFBSQMISA-N 1 0 254.418 2.266 10 0 CEAERO COCCCSCCOc1cccc(C[NH3+])c1 ZINC000104444285 186003768 /nfs/dbraw/zinc/00/37/68/186003768.db2.gz FXDZVQFAYWQHPA-UHFFFAOYSA-N 1 0 255.383 2.294 10 0 CEAERO CC[C@](C)(C[NH3+])C1(O)CC(OCc2ccccc2)C1 ZINC000669377222 539759246 /nfs/dbraw/zinc/75/92/46/539759246.db2.gz KAQKDKDLRSEUMX-HWOWSKLDSA-N 1 0 263.381 2.472 10 0 CEAERO CCC(CC)[C@H](C)NC(=O)c1csc(CC[NH3+])n1 ZINC000090957056 180074136 /nfs/dbraw/zinc/07/41/36/180074136.db2.gz XGFLZYYNECQFFP-VIFPVBQESA-N 1 0 269.414 2.199 10 0 CEAERO Cc1nc(CN(C)Cc2csc(CC[NH3+])n2)cs1 ZINC000090958405 180075177 /nfs/dbraw/zinc/07/51/77/180075177.db2.gz VFJUMTUQDDOULG-UHFFFAOYSA-N 1 0 282.438 2.041 10 0 CEAERO Nc1ccsc1C[NH2+]CCCOC[C@H]1CCCO1 ZINC000090959206 180075447 /nfs/dbraw/zinc/07/54/47/180075447.db2.gz JNPNPRDLHWFKEF-LLVKDONJSA-N 1 0 270.398 2.006 10 0 CEAERO C[C@@H](C[NH2+]Cc1sccc1N)N1CCCCC1 ZINC000090960340 180075536 /nfs/dbraw/zinc/07/55/36/180075536.db2.gz UYQQLGYBMLQUGH-NSHDSACASA-N 1 0 253.415 2.294 10 0 CEAERO Cc1nn(C[C@@H]2Cc3ccccc32)c(C)c1CC[NH3+] ZINC000090981652 180078803 /nfs/dbraw/zinc/07/88/03/180078803.db2.gz GBQJRVHAZSHUIN-AWEZNQCLSA-N 1 0 255.365 2.341 10 0 CEAERO CC(C)[NH2+]CCc1nnc([C@@H]2Cc3ccccc32)o1 ZINC000090986844 180080658 /nfs/dbraw/zinc/08/06/58/180080658.db2.gz DGIPJCFYZDJZPA-CYBMUJFWSA-N 1 0 257.337 2.298 10 0 CEAERO C[C@H]([NH2+]C[C@H]1Cc2ccccc21)C(=O)N1CCCCC1 ZINC000090992205 180081421 /nfs/dbraw/zinc/08/14/21/180081421.db2.gz AFEHHQCCUZWPHD-DZGCQCFKSA-N 1 0 272.392 2.317 10 0 CEAERO CCC[NH2+][C@@H]1CCCN(C[C@@H]2Cc3ccccc32)C1=O ZINC000090993381 180082150 /nfs/dbraw/zinc/08/21/50/180082150.db2.gz RNOIGDUDVVVVLN-GOEBONIOSA-N 1 0 272.392 2.317 10 0 CEAERO CCc1nc(Cn2cc(C[NH3+])c3ccccc32)no1 ZINC000090994985 180082660 /nfs/dbraw/zinc/08/26/60/180082660.db2.gz SPIOJQLZPVXCJM-UHFFFAOYSA-N 1 0 256.309 2.094 10 0 CEAERO C[NH2+]Cc1cccn1CCOc1ccccc1OC ZINC000090995789 180082992 /nfs/dbraw/zinc/08/29/92/180082992.db2.gz HGZXEOABQPMMPS-UHFFFAOYSA-N 1 0 260.337 2.295 10 0 CEAERO CC(C)(C)[NH2+]Cc1cccn1CC(=O)NC1CCCC1 ZINC000091001621 180083314 /nfs/dbraw/zinc/08/33/14/180083314.db2.gz XDKUBPOPOZHULO-UHFFFAOYSA-N 1 0 277.412 2.435 10 0 CEAERO C[NH2+]Cc1ccn(Cc2cnn(-c3ccccc3)c2)c1 ZINC000091002994 180083732 /nfs/dbraw/zinc/08/37/32/180083732.db2.gz IXXBGOZEECXLQM-UHFFFAOYSA-N 1 0 266.348 2.442 10 0 CEAERO CCOC(=O)[C@H](C)n1nc(C)c(C[NH2+]CC(C)C)c1C ZINC000091002308 180083994 /nfs/dbraw/zinc/08/39/94/180083994.db2.gz DOFMZHSMSQRIQB-ZDUSSCGKSA-N 1 0 281.400 2.370 10 0 CEAERO CCn1nc(Cn2cccc2CC[NH3+])c2ccccc21 ZINC000091004925 180084004 /nfs/dbraw/zinc/08/40/04/180084004.db2.gz AMIDRSBZFFDPMX-UHFFFAOYSA-N 1 0 268.364 2.407 10 0 CEAERO CC[C@H](C)NC(=O)Cn1ccc(C[NH2+]C(C)(C)C)c1 ZINC000091004220 180084280 /nfs/dbraw/zinc/08/42/80/180084280.db2.gz HSEBFYANFOFOEO-LBPRGKRZSA-N 1 0 265.401 2.291 10 0 CEAERO CC[C@@H]([NH3+])Cc1cccn1Cc1cn2ccccc2n1 ZINC000091005600 180084511 /nfs/dbraw/zinc/08/45/11/180084511.db2.gz WBUZYLYYRPZTOV-CYBMUJFWSA-N 1 0 268.364 2.464 10 0 CEAERO CC[C@@H]([NH3+])Cc1cccn1Cc1cc(C)nn1CC ZINC000091005784 180084603 /nfs/dbraw/zinc/08/46/03/180084603.db2.gz OZWXYISGXAHEAZ-CYBMUJFWSA-N 1 0 260.385 2.341 10 0 CEAERO C[C@@H]([NH3+])Cc1cccn1C[C@@H]1Cc2ccccc2O1 ZINC000091005484 180084722 /nfs/dbraw/zinc/08/47/22/180084722.db2.gz HTGQTCOQSJBZCK-DOMZBBRYSA-N 1 0 256.349 2.382 10 0 CEAERO CC[C@H]([NH3+])Cc1cccn1Cc1ncnn1CC(C)C ZINC000091005761 180084847 /nfs/dbraw/zinc/08/48/47/180084847.db2.gz ISGCQHGABJGPOU-ZDUSSCGKSA-N 1 0 275.400 2.064 10 0 CEAERO CCCn1ccc(C[NH2+]Cc2cccc(C(N)=O)c2)c1 ZINC000091010240 180086368 /nfs/dbraw/zinc/08/63/68/180086368.db2.gz UZAOEBKYSJIVAF-UHFFFAOYSA-N 1 0 271.364 2.287 10 0 CEAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1c[nH]c2ncccc12 ZINC000091018802 180087010 /nfs/dbraw/zinc/08/70/10/180087010.db2.gz YWJRCQFZGPKWHH-FZMZJTMJSA-N 1 0 259.353 2.204 10 0 CEAERO [NH3+]Cc1cn(CCOC(F)(F)F)c2ncccc12 ZINC000091018875 180087373 /nfs/dbraw/zinc/08/73/73/180087373.db2.gz JFBNKUBGEQNRKV-UHFFFAOYSA-N 1 0 259.231 2.031 10 0 CEAERO CCC[NH2+]Cc1cn(CCC(=O)OC)c2ncccc12 ZINC000091020350 180087733 /nfs/dbraw/zinc/08/77/33/180087733.db2.gz DETCSAUTPAMXFM-UHFFFAOYSA-N 1 0 275.352 2.099 10 0 CEAERO CCOCCn1cc(C[C@H]([NH3+])CC)c2cccnc21 ZINC000091022035 180088746 /nfs/dbraw/zinc/08/87/46/180088746.db2.gz VFLCOBRCALKQGW-CYBMUJFWSA-N 1 0 261.369 2.353 10 0 CEAERO Cc1nnc(Cn2cc(C[NH2+]C3CC3)c3cccnc32)o1 ZINC000091020976 180088786 /nfs/dbraw/zinc/08/87/86/180088786.db2.gz WKUZQVQYZASJMT-UHFFFAOYSA-N 1 0 283.335 2.028 10 0 CEAERO CCn1cccc1C[NH2+]CCCOC[C@H]1CCCO1 ZINC000091023044 180088792 /nfs/dbraw/zinc/08/87/92/180088792.db2.gz MWAKHNLFGWSKPT-OAHLLOKOSA-N 1 0 266.385 2.183 10 0 CEAERO [NH3+]CCc1nc(C(=O)OCc2ccccc2)cs1 ZINC000090939573 180068119 /nfs/dbraw/zinc/06/81/19/180068119.db2.gz JCSWDOFOMOYRCO-UHFFFAOYSA-N 1 0 262.334 2.001 10 0 CEAERO C[C@@H]([NH3+])c1nc(-c2nc(CC(F)(F)F)no2)cs1 ZINC000090938784 180068305 /nfs/dbraw/zinc/06/83/05/180068305.db2.gz LAMPDYGKLLZVJD-SCSAIBSYSA-N 1 0 278.259 2.318 10 0 CEAERO CCn1c(C[C@@H]2CSCC[NH2+]2)nc2ccccc21 ZINC000091128478 180100687 /nfs/dbraw/zinc/10/06/87/180100687.db2.gz MTBCPBFCFHYKBH-LLVKDONJSA-N 1 0 261.394 2.304 10 0 CEAERO C[C@H](NC(=O)C[C@@H]1CSCC[NH2+]1)c1ccccc1F ZINC000091135396 180103740 /nfs/dbraw/zinc/10/37/40/180103740.db2.gz BWTIGGPYHJLAJM-WDEREUQCSA-N 1 0 282.384 2.098 10 0 CEAERO CCCNC(=O)C[C@@H](CN)[NH+]1CCC(CC)(CC)CC1 ZINC000091317560 180133501 /nfs/dbraw/zinc/13/35/01/180133501.db2.gz WHCLOAAAJDFRQA-AWEZNQCLSA-N 1 0 283.460 2.132 10 0 CEAERO CCCC[NH+](CCCC)[C@H](CN)CC(=O)NCCC ZINC000091316992 180133998 /nfs/dbraw/zinc/13/39/98/180133998.db2.gz GXFNHMUIDZMSFU-AWEZNQCLSA-N 1 0 271.449 2.132 10 0 CEAERO CCN(CC)C(=O)C[C@@H](CN)[N@H+](C)C1CCC(C)CC1 ZINC000091322766 180134642 /nfs/dbraw/zinc/13/46/42/180134642.db2.gz BIPXFPQYNDHFQY-NRXISQOPSA-N 1 0 283.460 2.083 10 0 CEAERO CCCCC[N@H+](C(C)C)[C@H](CN)CC(=O)N(CC)CC ZINC000091322818 180134726 /nfs/dbraw/zinc/13/47/26/180134726.db2.gz DEQYOCWUGMFXEL-HNNXBMFYSA-N 1 0 285.476 2.473 10 0 CEAERO NC[C@@H](CC(=O)N1CCCCC1)[NH2+]C1CCCCCC1 ZINC000091325573 180135406 /nfs/dbraw/zinc/13/54/06/180135406.db2.gz UJKZSTYKZLZHQS-OAHLLOKOSA-N 1 0 281.444 2.029 10 0 CEAERO CC(C)OCC[C@](C[NH3+])(c1ccccc1)[C@@H](C)O ZINC000091327701 180135654 /nfs/dbraw/zinc/13/56/54/180135654.db2.gz PUVQFMCHBLSBPN-UKRRQHHQSA-N 1 0 251.370 2.079 10 0 CEAERO CC(C)n1ccc(C[C@](C[NH3+])(c2ccccc2)[C@@H](C)O)n1 ZINC000091327597 180136020 /nfs/dbraw/zinc/13/60/20/180136020.db2.gz HEHKSTOJAIUOFG-RHSMWYFYSA-N 1 0 287.407 2.284 10 0 CEAERO Cc1cc(C)nc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3[NH2+]2)n1 ZINC000091359178 180140427 /nfs/dbraw/zinc/14/04/27/180140427.db2.gz AWNVMKDTFCPFDL-RDBSUJKOSA-N 1 0 288.395 2.343 10 0 CEAERO COc1ccc([C@@H]([NH3+])CSC[C@@H](C)CO)cc1 ZINC000091261406 180115918 /nfs/dbraw/zinc/11/59/18/180115918.db2.gz MCIGFKDKYYXXLL-GWCFXTLKSA-N 1 0 255.383 2.057 10 0 CEAERO COCC[NH2+]Cc1cc(F)ccc1S[C@H](C)CCO ZINC000091268283 180117115 /nfs/dbraw/zinc/11/71/15/180117115.db2.gz XWQDPIODJKJIEA-LLVKDONJSA-N 1 0 287.400 2.425 10 0 CEAERO CCC[NH2+][C@H](CC(=O)OCC)c1cncn1C(C)C ZINC000091274092 180119261 /nfs/dbraw/zinc/11/92/61/180119261.db2.gz HOCZGPHOTLTYQZ-GFCCVEGCSA-N 1 0 267.373 2.458 10 0 CEAERO [NH3+]C[C@@H](c1cncn1C1CC1)N1CCCCCCC1 ZINC000091276208 180119863 /nfs/dbraw/zinc/11/98/63/180119863.db2.gz VKHPMUZYVBSRNU-AWEZNQCLSA-N 1 0 262.401 2.484 10 0 CEAERO CCc1ccc(N(C)C(=O)C[C@@H]2CSCC[NH2+]2)cc1 ZINC000091290776 180121798 /nfs/dbraw/zinc/12/17/98/180121798.db2.gz KFKNVZQGCNDGDU-CYBMUJFWSA-N 1 0 278.421 2.307 10 0 CEAERO Cc1cc([C@H](C)NC(=O)C[C@H]2CSCC[NH2+]2)c(C)o1 ZINC000091290661 180122275 /nfs/dbraw/zinc/12/22/75/180122275.db2.gz XWJXRHGHUBGAED-JQWIXIFHSA-N 1 0 282.409 2.169 10 0 CEAERO Cc1ccc2c(c1)nc(C[C@H]1C[NH2+]CCO1)n2C1CC1 ZINC000091293204 180124111 /nfs/dbraw/zinc/12/41/11/180124111.db2.gz ASXZYXTYRYHXNL-ZDUSSCGKSA-N 1 0 271.364 2.211 10 0 CEAERO CCCn1c2ccc(C[NH3+])cc2nc1C1CC(O)C1 ZINC000091429903 180152887 /nfs/dbraw/zinc/15/28/87/180152887.db2.gz WSDOYRGWSJELHO-UHFFFAOYSA-N 1 0 259.353 2.143 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H]2CC(C)(C)C[C@@H]2C)C1 ZINC000233473018 539769769 /nfs/dbraw/zinc/76/97/69/539769769.db2.gz FCQDIFMXCLSPNO-BFHYXJOUSA-N 1 0 254.418 2.121 10 0 CEAERO CCOc1ccc(NC(=O)CC[NH+]2CCCC2)cc1CO ZINC000091436435 180155327 /nfs/dbraw/zinc/15/53/27/180155327.db2.gz ZXJDVPPUIUZQOF-UHFFFAOYSA-N 1 0 292.379 2.002 10 0 CEAERO [NH3+]Cc1ccccc1CNC(=O)c1ccncc1Cl ZINC000091456869 180160337 /nfs/dbraw/zinc/16/03/37/180160337.db2.gz BWGBTAVRHYAMOT-UHFFFAOYSA-N 1 0 275.739 2.124 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccc(OC)cc1)N(C)CC1CC(O)C1 ZINC000091463328 180162650 /nfs/dbraw/zinc/16/26/50/180162650.db2.gz BJPXITPDADFXBS-KNHPQMQCSA-N 1 0 292.423 2.176 10 0 CEAERO CC(C)[NH2+]C[C@@H](O)Cc1ccc(OC(F)(F)F)cc1 ZINC000091465524 180163456 /nfs/dbraw/zinc/16/34/56/180163456.db2.gz XQMGRSTXNSRHDP-NSHDSACASA-N 1 0 277.286 2.487 10 0 CEAERO CC[NH2+]CC[C@@](C)(O)CCc1ccc2c(c1)CCO2 ZINC000091465358 180163619 /nfs/dbraw/zinc/16/36/19/180163619.db2.gz CDKCWGRWHIQDHD-INIZCTEOSA-N 1 0 263.381 2.305 10 0 CEAERO Cc1nn(C)c(C[C@@](C)(O)CC[NH2+]C(C)C)c1Cl ZINC000091466469 180163748 /nfs/dbraw/zinc/16/37/48/180163748.db2.gz AJQLAKHYHGPJPU-ZDUSSCGKSA-N 1 0 273.808 2.064 10 0 CEAERO CC(C)[NH2+]CC[C@](C)(O)c1ccc2c(c1)OCCCO2 ZINC000091467964 180164302 /nfs/dbraw/zinc/16/43/02/180164302.db2.gz PLCFTSHAUVPWEN-INIZCTEOSA-N 1 0 279.380 2.444 10 0 CEAERO CN(CC1CC([NH3+])C1)c1nc(C(C)(C)C)ns1 ZINC000091472711 180165330 /nfs/dbraw/zinc/16/53/30/180165330.db2.gz FFMJWKBRJCEYPG-UHFFFAOYSA-N 1 0 254.403 2.009 10 0 CEAERO Cc1ccc(C(F)(F)F)cc1NC(=O)C1C[NH2+]C1 ZINC000091480010 180166686 /nfs/dbraw/zinc/16/66/86/180166686.db2.gz RTUMRQREEOUVFB-UHFFFAOYSA-N 1 0 258.243 2.172 10 0 CEAERO C[N@H+](CCOc1ccccc1Cl)CC1CC(O)C1 ZINC000091489682 180169137 /nfs/dbraw/zinc/16/91/37/180169137.db2.gz ISYAAMUFADZJQC-UHFFFAOYSA-N 1 0 269.772 2.422 10 0 CEAERO Cc1ccc(CCC(=O)N[C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC000091496262 180171787 /nfs/dbraw/zinc/17/17/87/180171787.db2.gz MAMXGBSTWWFYLG-DZGCQCFKSA-N 1 0 260.381 2.184 10 0 CEAERO Cc1ccc(C)c(CN2CC3(CC2=O)CC[NH2+]CC3)c1 ZINC000091408802 180148461 /nfs/dbraw/zinc/14/84/61/180148461.db2.gz QWLASWSCRPYRCE-UHFFFAOYSA-N 1 0 272.392 2.406 10 0 CEAERO c1ccc2c(c1)CN(c1cncc(C[NH2+]C3CC3)n1)C2 ZINC000091418190 180150332 /nfs/dbraw/zinc/15/03/32/180150332.db2.gz DYHYETFZRRAUNV-UHFFFAOYSA-N 1 0 266.348 2.249 10 0 CEAERO CCO[C@H]1C[C@H]([NH2+]CC2CC(O)C2)C12CCCC2 ZINC000091424315 180151233 /nfs/dbraw/zinc/15/12/33/180151233.db2.gz NBGOMRZIYDGXIE-HOAMVYINSA-N 1 0 253.386 2.085 10 0 CEAERO OC1CC([NH2+][C@@H](c2ccccc2)c2ccccn2)C1 ZINC000091424995 180151909 /nfs/dbraw/zinc/15/19/09/180151909.db2.gz BMJWUHFRAXQGAZ-XUJLQICISA-N 1 0 254.333 2.284 10 0 CEAERO O[C@H](C[NH2+]C1CC(O)C1)c1cc(Cl)ccc1Cl ZINC000091424756 180152381 /nfs/dbraw/zinc/15/23/81/180152381.db2.gz HASJRTZOEVTNSI-SHVIVCPWSA-N 1 0 276.163 2.140 10 0 CEAERO CC(C)([C@@H](O)CCc1ccccc1)[NH+]1CCOCC1 ZINC000091565680 180193562 /nfs/dbraw/zinc/19/35/62/180193562.db2.gz IBDCXABCHCSGEM-HNNXBMFYSA-N 1 0 263.381 2.091 10 0 CEAERO CC[NH2+][C@H](Cc1ncnn1CC)C(C)(C)N1CCCCC1 ZINC000091565295 180193745 /nfs/dbraw/zinc/19/37/45/180193745.db2.gz GPOCQVNIEYTIKK-CQSZACIVSA-N 1 0 293.459 2.083 10 0 CEAERO C[NH2+][C@@H](c1cc(F)cc(F)c1)C(C)(C)N1CCOCC1 ZINC000091566615 180194050 /nfs/dbraw/zinc/19/40/50/180194050.db2.gz WYVQCXWKBVWLRH-AWEZNQCLSA-N 1 0 284.350 2.336 10 0 CEAERO CC(C)([C@H]([NH3+])c1cnc2ccccc2c1)N1CCOCC1 ZINC000091566289 180194294 /nfs/dbraw/zinc/19/42/94/180194294.db2.gz ZHUZFMCRKVMKEN-MRXNPFEDSA-N 1 0 285.391 2.345 10 0 CEAERO CC[NH2+][C@H](Cc1ccsc1)C(C)(C)N1CCOCC1 ZINC000091566919 180194624 /nfs/dbraw/zinc/19/46/24/180194624.db2.gz RKOXHIITJZVYCL-CQSZACIVSA-N 1 0 282.453 2.380 10 0 CEAERO CC(C)n1ncnc1C[C@H](N)C(C)(C)[NH+]1CCCCCC1 ZINC000091568089 180194718 /nfs/dbraw/zinc/19/47/18/180194718.db2.gz URYYKDBACHBJNB-AWEZNQCLSA-N 1 0 293.459 2.383 10 0 CEAERO CC(C)([C@H](N)Cc1ccnc(N)c1)[NH+]1CCCCCC1 ZINC000091567804 180194764 /nfs/dbraw/zinc/19/47/64/180194764.db2.gz QSQUAJTZQHJMKO-CQSZACIVSA-N 1 0 276.428 2.188 10 0 CEAERO CC[NH2+][C@@H](CCC[C@H]1CCCO1)C(C)(C)N1CCOCC1 ZINC000091567024 180194826 /nfs/dbraw/zinc/19/48/26/180194826.db2.gz MSGHQIUIPYZUNZ-HOTGVXAUSA-N 1 0 298.471 2.425 10 0 CEAERO CC(C)([C@H](O)c1cccnc1N)[NH+]1CCCCCC1 ZINC000091567566 180194930 /nfs/dbraw/zinc/19/49/30/180194930.db2.gz JUZQPUDDDHEWNW-CYBMUJFWSA-N 1 0 263.385 2.352 10 0 CEAERO CC[NH2+][C@@H](c1ccoc1)C(C)(C)N1CCOCC1 ZINC000091566996 180195021 /nfs/dbraw/zinc/19/50/21/180195021.db2.gz OQHORZQUHMSNEY-ZDUSSCGKSA-N 1 0 252.358 2.041 10 0 CEAERO CC[NH2+][C@H](c1ccccc1)C(C)(C)N1CCOCC1 ZINC000091566895 180195026 /nfs/dbraw/zinc/19/50/26/180195026.db2.gz JPGFKJDXMSTQID-OAHLLOKOSA-N 1 0 262.397 2.448 10 0 CEAERO C[NH2+][C@H](c1cncnc1)C(C)(C)N1CCCCCC1 ZINC000091568154 180195036 /nfs/dbraw/zinc/19/50/36/180195036.db2.gz IWJSEKARGYABOS-CQSZACIVSA-N 1 0 262.401 2.392 10 0 CEAERO C[NH2+][C@@H](CCC[C@H]1CCCO1)C(C)(C)N1CCOCC1 ZINC000091566727 180195046 /nfs/dbraw/zinc/19/50/46/180195046.db2.gz YVLYUOPTHQJZDQ-GJZGRUSLSA-N 1 0 284.444 2.035 10 0 CEAERO CC(C)([C@H](N)c1cccnc1N)[NH+]1CCCCCC1 ZINC000091568085 180195122 /nfs/dbraw/zinc/19/51/22/180195122.db2.gz FUSXRDWBKDODOG-CYBMUJFWSA-N 1 0 262.401 2.318 10 0 CEAERO CC[C@@](C)([C@@H]([NH2+]C)c1ccc2c(c1)OCCO2)N(C)C ZINC000091570538 180195454 /nfs/dbraw/zinc/19/54/54/180195454.db2.gz DUJLWHDHXQWXJU-HOTGVXAUSA-N 1 0 278.396 2.449 10 0 CEAERO CC[C@@](C)([C@@H](O)Cc1c(Cl)c(C)nn1C)[NH+](C)C ZINC000091569490 180195550 /nfs/dbraw/zinc/19/55/50/180195550.db2.gz AEGPMSAXPWXOKA-AAEUAGOBSA-N 1 0 273.808 2.016 10 0 CEAERO CC[NH2+][C@H](Cc1cnn(CC)c1)[C@@](C)(CC)N(C)C ZINC000091571193 180195552 /nfs/dbraw/zinc/19/55/52/180195552.db2.gz CICUMPHFJDBARQ-HUUCEWRRSA-N 1 0 266.433 2.154 10 0 CEAERO CC[C@@](C)([C@H](N)Cc1ccncc1Cl)[NH+](C)C ZINC000091569760 180195724 /nfs/dbraw/zinc/19/57/24/180195724.db2.gz SGGXBJBDABVYOM-OLZOCXBDSA-N 1 0 255.793 2.335 10 0 CEAERO CC[C@@](C)([C@@H](O)Cc1ccncc1Cl)[NH+](C)C ZINC000091569158 180195830 /nfs/dbraw/zinc/19/58/30/180195830.db2.gz KPJDWLSZQBTKIU-STQMWFEESA-N 1 0 256.777 2.369 10 0 CEAERO CC[C@](C)([C@H](N)c1cc(OC)ccc1OC)[NH+](C)C ZINC000091570145 180195836 /nfs/dbraw/zinc/19/58/36/180195836.db2.gz OVVOSJKSQAUCKS-HUUCEWRRSA-N 1 0 266.385 2.434 10 0 CEAERO CC[NH2+][C@H](Cc1cc(C)nn1CC)[C@@](C)(CC)N(C)C ZINC000091571369 180195843 /nfs/dbraw/zinc/19/58/43/180195843.db2.gz IHLZGLCXRLQODX-HZPDHXFCSA-N 1 0 280.460 2.462 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@@H](O)Cc1ncnn1CC(C)C ZINC000091573135 180196514 /nfs/dbraw/zinc/19/65/14/180196514.db2.gz ONJCAZXOZVDOLD-GOEBONIOSA-N 1 0 296.459 2.348 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@H](O)Cc1cc(C)nn1C ZINC000091573045 180196556 /nfs/dbraw/zinc/19/65/56/180196556.db2.gz ZDFUWBRKUBEJSS-HUUCEWRRSA-N 1 0 267.417 2.142 10 0 CEAERO CC[C@H](C)[NH+]1CCN(c2c(N)c(C(C)C)nn2C)CC1 ZINC000091578457 180198216 /nfs/dbraw/zinc/19/82/16/180198216.db2.gz NGZZHDMHTPEVMX-LBPRGKRZSA-N 1 0 279.432 2.046 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@H](N)c1cccnc1N ZINC000091598895 180202602 /nfs/dbraw/zinc/20/26/02/180202602.db2.gz WRAXNDQPJGMQSC-OCCSQVGLSA-N 1 0 250.390 2.174 10 0 CEAERO CC[C@](C)([C@@H](O)CC1CCOCC1)[NH+]1CCCC1 ZINC000091603468 180203095 /nfs/dbraw/zinc/20/30/95/180203095.db2.gz JTSCQAONHADFHV-LSDHHAIUSA-N 1 0 255.402 2.429 10 0 CEAERO CCn1cc(C[C@H]([NH2+]C)[C@](C)(CC)N2CCCC2)cn1 ZINC000091606300 180204229 /nfs/dbraw/zinc/20/42/29/180204229.db2.gz SDPIECRUWTZOEZ-HOTGVXAUSA-N 1 0 278.444 2.298 10 0 CEAERO CCn1nc(C)cc1C[C@H](N)[C@@](C)(CC)[NH+]1CCCC1 ZINC000091605396 180204393 /nfs/dbraw/zinc/20/43/93/180204393.db2.gz RNSOQMMFZHNOAW-JKSUJKDBSA-N 1 0 278.444 2.346 10 0 CEAERO CC[NH2+][C@H](Cc1cccnc1N)[C@@](C)(CC)N1CCCC1 ZINC000091607270 180204715 /nfs/dbraw/zinc/20/47/15/180204715.db2.gz QVGUEFWTRQKCMO-NVXWUHKLSA-N 1 0 290.455 2.449 10 0 CEAERO CC[C@@](C)([C@@H](O)c1cnccc1N)[NH+]1CCCCC1 ZINC000091608883 180205093 /nfs/dbraw/zinc/20/50/93/180205093.db2.gz OGLHWLAHVDOTGS-GJZGRUSLSA-N 1 0 263.385 2.352 10 0 CEAERO CC[C@](C)([C@@H](N)Cc1cc(C)nn1C)[NH+]1CCCCC1 ZINC000091609300 180205273 /nfs/dbraw/zinc/20/52/73/180205273.db2.gz OIEWWWQZPLNBCI-JKSUJKDBSA-N 1 0 278.444 2.253 10 0 CEAERO CC[C@@](C)([C@@H](N)c1ccnn1C)[NH+]1CCCCC1 ZINC000091609275 180205459 /nfs/dbraw/zinc/20/54/59/180205459.db2.gz KPMGTGXLHXIGMV-KBPBESRZSA-N 1 0 250.390 2.075 10 0 CEAERO CC[C@](C)([C@@H]([NH3+])Cc1ccccc1C)N1CCOCC1 ZINC000091611920 180206701 /nfs/dbraw/zinc/20/67/01/180206701.db2.gz RROKEBMGTYILPV-DLBZAZTESA-N 1 0 276.424 2.366 10 0 CEAERO CC[C@@](C)([C@@H]([NH3+])C1CCCCC1)N1CCOCC1 ZINC000091611851 180206749 /nfs/dbraw/zinc/20/67/49/180206749.db2.gz NJMUMDIROUTINL-GJZGRUSLSA-N 1 0 254.418 2.395 10 0 CEAERO CC[C@](C)([C@@H]([NH3+])Cc1cccc(F)c1F)N1CCOCC1 ZINC000091611628 180206796 /nfs/dbraw/zinc/20/67/96/180206796.db2.gz HTIATJSRRZZGLJ-GOEBONIOSA-N 1 0 298.377 2.336 10 0 CEAERO CC[C@@](C)([C@@H]([NH2+]C)c1ccco1)N1CCOCC1 ZINC000091612479 180207148 /nfs/dbraw/zinc/20/71/48/180207148.db2.gz YDGOODMHIXYULT-KBPBESRZSA-N 1 0 252.358 2.041 10 0 CEAERO CC[C@@](C)([C@@H]([NH3+])CCc1ccccc1)N1CCOCC1 ZINC000091612155 180207158 /nfs/dbraw/zinc/20/71/58/180207158.db2.gz ASQRBRQRTAVCLG-IRXDYDNUSA-N 1 0 276.424 2.447 10 0 CEAERO CC[C@](C)([C@@H]([NH2+]C)C1CCCC1)N1CCOCC1 ZINC000091612380 180207337 /nfs/dbraw/zinc/20/73/37/180207337.db2.gz AUWLLKLNVUKUCK-LSDHHAIUSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@@](C)([C@@H]([NH3+])CCC(F)(F)F)N1CCOCC1 ZINC000091612159 180207429 /nfs/dbraw/zinc/20/74/29/180207429.db2.gz IQEJJEHPRKFPRV-QWRGUYRKSA-N 1 0 268.323 2.157 10 0 CEAERO CC[C@@](C)([C@@H](Cc1csc(C)n1)[NH2+]C)N1CCOCC1 ZINC000091612525 180207447 /nfs/dbraw/zinc/20/74/47/180207447.db2.gz IMRNGSQYJWLJOT-CABCVRRESA-N 1 0 297.468 2.083 10 0 CEAERO CC[C@](C)([C@H]([NH2+]C)c1ccco1)N1CCOCC1 ZINC000091612478 180207480 /nfs/dbraw/zinc/20/74/80/180207480.db2.gz YDGOODMHIXYULT-ZIAGYGMSSA-N 1 0 252.358 2.041 10 0 CEAERO CC[C@@](C)([C@H](CC1CCC1)[NH2+]C)N1CCOCC1 ZINC000091612719 180207521 /nfs/dbraw/zinc/20/75/21/180207521.db2.gz IKDCNCMNVAOOLE-GJZGRUSLSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@@](C)([C@H]([NH3+])CCC(F)(F)F)N1CCOCC1 ZINC000091612157 180207525 /nfs/dbraw/zinc/20/75/25/180207525.db2.gz IQEJJEHPRKFPRV-MNOVXSKESA-N 1 0 268.323 2.157 10 0 CEAERO CCC(CC)([C@@H](N)Cc1c(Cl)c(C)nn1C)[NH+](C)C ZINC000091613916 180207740 /nfs/dbraw/zinc/20/77/40/180207740.db2.gz IWXPJKRCZLCJAW-LBPRGKRZSA-N 1 0 286.851 2.372 10 0 CEAERO CCC(CC)([C@@H](Cc1ncnn1CC(C)C)[NH2+]C)N(C)C ZINC000091614238 180207855 /nfs/dbraw/zinc/20/78/55/180207855.db2.gz SRNKJWGNZSPQMS-CQSZACIVSA-N 1 0 295.475 2.185 10 0 CEAERO CCC(CC)([C@@H](O)Cc1ccn(C(C)C)n1)[NH+](C)C ZINC000091613756 180207922 /nfs/dbraw/zinc/20/79/22/180207922.db2.gz MDNUMTIGGNQTNI-AWEZNQCLSA-N 1 0 267.417 2.488 10 0 CEAERO CCC(CC)([C@H](O)Cc1ccn(C(C)C)n1)[NH+](C)C ZINC000091613755 180208029 /nfs/dbraw/zinc/20/80/29/180208029.db2.gz MDNUMTIGGNQTNI-CQSZACIVSA-N 1 0 267.417 2.488 10 0 CEAERO Cc1cc(F)cc(N[C@@]2(CO)C[NH+]3CCC2CC3)c1 ZINC000091517753 180177562 /nfs/dbraw/zinc/17/75/62/180177562.db2.gz RIPBVCJVGSSXQH-OAHLLOKOSA-N 1 0 264.344 2.003 10 0 CEAERO COCC[NH2+]CC[C@](C)(O)c1ccc(C)cc1C ZINC000091521073 180178232 /nfs/dbraw/zinc/17/82/32/180178232.db2.gz CMPJXGUJIBQGAG-HNNXBMFYSA-N 1 0 251.370 2.137 10 0 CEAERO COCC[NH2+]CC[C@](C)(O)Cc1cccc(Cl)c1 ZINC000091520647 180178322 /nfs/dbraw/zinc/17/83/22/180178322.db2.gz QACDTGREVIDZAY-AWEZNQCLSA-N 1 0 271.788 2.260 10 0 CEAERO CCN(CC)C(C)(C)[C@@H](Cc1cc(C)nn1CC)[NH2+]C ZINC000091530899 180180452 /nfs/dbraw/zinc/18/04/52/180180452.db2.gz WQZBQSZQRSPWCJ-OAHLLOKOSA-N 1 0 280.460 2.462 10 0 CEAERO CC[NH2+][C@H](Cc1c(Cl)c(C)nn1C)C(C)(C)N(C)C ZINC000091528957 180180610 /nfs/dbraw/zinc/18/06/10/180180610.db2.gz FCZSPNPCBAVCEL-GFCCVEGCSA-N 1 0 286.851 2.243 10 0 CEAERO CCC[NH2+][C@@H](c1c(C)ccnc1N)C(C)(C)N(C)C ZINC000091529342 180180978 /nfs/dbraw/zinc/18/09/78/180180978.db2.gz KGSWXOKCXQHBEA-ZDUSSCGKSA-N 1 0 264.417 2.353 10 0 CEAERO CCCn1nccc1[C@H](O)C(C)(C)[NH+]1CCCC1 ZINC000091533307 180181187 /nfs/dbraw/zinc/18/11/87/180181187.db2.gz ZZLJLGSKGXXODL-ZDUSSCGKSA-N 1 0 251.374 2.201 10 0 CEAERO CCn1nccc1[C@@H]([NH2+]C)C(C)(C)N1CCCC1 ZINC000091534376 180181343 /nfs/dbraw/zinc/18/13/43/180181343.db2.gz BEODGRFRMRTKBU-CYBMUJFWSA-N 1 0 250.390 2.038 10 0 CEAERO C[NH2+][C@@H](CC[C@@H]1CCCO1)C(C)(C)N1CCCC1 ZINC000091534550 180181607 /nfs/dbraw/zinc/18/16/07/180181607.db2.gz BCACUXIIJDDZTR-KBPBESRZSA-N 1 0 254.418 2.408 10 0 CEAERO CCC[NH2+][C@H](Cc1ccnc(N)c1)C(C)(C)N1CCCC1 ZINC000091536125 180182228 /nfs/dbraw/zinc/18/22/28/180182228.db2.gz LRPVCPXNHYTBGT-OAHLLOKOSA-N 1 0 290.455 2.449 10 0 CEAERO CN(CCOc1ccc(Cl)cc1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091543039 180184420 /nfs/dbraw/zinc/18/44/20/180184420.db2.gz HCEHDGXZSQXRBG-WCQYABFASA-N 1 0 296.798 2.305 10 0 CEAERO CCOc1cc(F)ccc1NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091544064 180185232 /nfs/dbraw/zinc/18/52/32/180185232.db2.gz MOQNOBTUEISQLR-MWLCHTKSSA-N 1 0 266.316 2.290 10 0 CEAERO C[NH2+]Cc1cc(OC)c(OC)cc1-c1cn(C)nc1C ZINC000091543491 180185258 /nfs/dbraw/zinc/18/52/58/180185258.db2.gz QUVCJLRCHYWVRL-UHFFFAOYSA-N 1 0 275.352 2.132 10 0 CEAERO COC(=O)c1c(C)c(C)sc1NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091545999 180187206 /nfs/dbraw/zinc/18/72/06/180187206.db2.gz PWPIKKRUWHYTMI-ZJUUUORDSA-N 1 0 296.392 2.217 10 0 CEAERO Cn1nc(C[C@@H](O)C2([NH+](C)C)CCCC2)c2ccccc21 ZINC000091636652 180211551 /nfs/dbraw/zinc/21/15/51/180211551.db2.gz PDSZXKVQHBSYLV-MRXNPFEDSA-N 1 0 287.407 2.351 10 0 CEAERO CCCn1cc([C@@H](N)C2([NH+](C)C)CCCC2)cn1 ZINC000091637415 180212044 /nfs/dbraw/zinc/21/20/44/180212044.db2.gz KXXYYBFMKREJMH-CYBMUJFWSA-N 1 0 250.390 2.167 10 0 CEAERO COc1ccccc1C[C@@H](N)C1([NH+](C)C)CCCC1 ZINC000091637466 180212476 /nfs/dbraw/zinc/21/24/76/180212476.db2.gz DKBZCPCDJNWZMI-OAHLLOKOSA-N 1 0 262.397 2.439 10 0 CEAERO CCC[NH2+][C@@H](c1nccn1C)C1(N(C)C)CCCC1 ZINC000091638329 180212595 /nfs/dbraw/zinc/21/25/95/180212595.db2.gz AIIIEVTXRXQCKG-ZDUSSCGKSA-N 1 0 264.417 2.335 10 0 CEAERO C[NH2+][C@H](C1CCCC1)C1(N2CCOCC2)CCCC1 ZINC000091643156 180214204 /nfs/dbraw/zinc/21/42/04/180214204.db2.gz JUCWWCFBFPNGPN-OAHLLOKOSA-N 1 0 266.429 2.410 10 0 CEAERO [NH3+][C@@H](CC1CCC1)C1(N2CCOCC2)CCCC1 ZINC000091643096 180214236 /nfs/dbraw/zinc/21/42/36/180214236.db2.gz PWVZDQNTLYVCFN-AWEZNQCLSA-N 1 0 252.402 2.149 10 0 CEAERO CC[NH2+][C@H](c1cncnc1)C1(N(C)C)CCCCC1 ZINC000091647757 180215439 /nfs/dbraw/zinc/21/54/39/180215439.db2.gz RDZDGNUTBQEYPT-CQSZACIVSA-N 1 0 262.401 2.392 10 0 CEAERO CC1CCC([C@@H](N)Cc2ccccn2)([NH+](C)C)CC1 ZINC000091648722 180216035 /nfs/dbraw/zinc/21/60/35/180216035.db2.gz GSDQBCRWXANDMF-SIWZUTFBSA-N 1 0 261.413 2.462 10 0 CEAERO C[NH2+][C@H](c1cncnc1)C1(N(C)C)CCC(C)CC1 ZINC000091649081 180216164 /nfs/dbraw/zinc/21/61/64/180216164.db2.gz QRTMBGZQJLEPDH-HNFVBEJKSA-N 1 0 262.401 2.248 10 0 CEAERO CC1CCC([C@H](O)Cc2ccnc(N)c2)([NH+](C)C)CC1 ZINC000091648455 180216209 /nfs/dbraw/zinc/21/62/09/180216209.db2.gz CQUZEHAYSFABND-CXOJTPOUSA-N 1 0 277.412 2.078 10 0 CEAERO C[NH+](C)C1([C@H](O)C2CCOCC2)CCCCCC1 ZINC000091653704 180217063 /nfs/dbraw/zinc/21/70/63/180217063.db2.gz SBEKWMYMPSKVIS-CQSZACIVSA-N 1 0 255.402 2.429 10 0 CEAERO Nc1cc(Cl)ccc1NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091662632 180220188 /nfs/dbraw/zinc/22/01/88/180220188.db2.gz DHCROESYRMSQSQ-NEPJUHHUSA-N 1 0 281.787 2.197 10 0 CEAERO Cc1cccc(C2CC([NH2+]C[C@H]3CN(C)CCO3)C2)c1 ZINC000091667095 180223614 /nfs/dbraw/zinc/22/36/14/180223614.db2.gz NRWMONFKNZAOBC-JCYILVPMSA-N 1 0 274.408 2.161 10 0 CEAERO CC[NH2+][C@H](c1cc(Cl)ccc1OC)[C@@H]1CN(C)CCO1 ZINC000091718707 180233205 /nfs/dbraw/zinc/23/32/05/180233205.db2.gz WMHYBEPKUKODHA-LSDHHAIUSA-N 1 0 298.814 2.330 10 0 CEAERO CC[NH2+][C@H](c1cccc2cnccc21)[C@@H]1CN(C)CCO1 ZINC000091718731 180233372 /nfs/dbraw/zinc/23/33/72/180233372.db2.gz XQKOMPNYPXGISA-DLBZAZTESA-N 1 0 285.391 2.216 10 0 CEAERO CC[NH2+][C@H](c1ccccc1Cl)[C@@H]1CN(C)CCO1 ZINC000091718287 180233445 /nfs/dbraw/zinc/23/34/45/180233445.db2.gz YQDAAAMCILOSDT-UONOGXRCSA-N 1 0 268.788 2.321 10 0 CEAERO CC[NH2+][C@H](Cc1cc(C)cc(C)c1)[C@@H]1CN(C)CCO1 ZINC000091718875 180233757 /nfs/dbraw/zinc/23/37/57/180233757.db2.gz QPZWWWBBYWTBTQ-SJORKVTESA-N 1 0 276.424 2.155 10 0 CEAERO CC[NH2+][C@@H](c1ccc(C)s1)[C@H]1CN(C)CCO1 ZINC000091718896 180233782 /nfs/dbraw/zinc/23/37/82/180233782.db2.gz PJEOQDDGSMMELV-DGCLKSJQSA-N 1 0 254.399 2.038 10 0 CEAERO CCOc1ccc([C@H]([NH3+])CN(C)C)cc1OCC ZINC000091719574 180234120 /nfs/dbraw/zinc/23/41/20/180234120.db2.gz AUBJLYABQAWHHT-GFCCVEGCSA-N 1 0 252.358 2.045 10 0 CEAERO CCC[NH2+][C@H](c1ccc(OC)c(F)c1)[C@@H]1CN(C)CCO1 ZINC000091719519 180234397 /nfs/dbraw/zinc/23/43/97/180234397.db2.gz HJCCAQZMLDZTMR-JKSUJKDBSA-N 1 0 296.386 2.206 10 0 CEAERO CC[NH2+][C@@H](Cc1ccn(C(CC)CC)n1)CN(C)C ZINC000091719744 180234426 /nfs/dbraw/zinc/23/44/26/180234426.db2.gz DQLXKHRNZHJMQD-AWEZNQCLSA-N 1 0 266.433 2.326 10 0 CEAERO C[NH2+][C@H](Cc1ccc(C(F)(F)F)cc1)CN(C)C ZINC000091719621 180234611 /nfs/dbraw/zinc/23/46/11/180234611.db2.gz ZOOPMDYQYUROET-GFCCVEGCSA-N 1 0 260.303 2.398 10 0 CEAERO CCC[NH2+][C@@H](Cc1c(Cl)c(C)nn1CC)CN(C)C ZINC000091720044 180235184 /nfs/dbraw/zinc/23/51/84/180235184.db2.gz HSTHQQOHSSUUQB-LBPRGKRZSA-N 1 0 286.851 2.337 10 0 CEAERO Cc1cc(C)c([C@H]([NH3+])[C@H]2CN3CCC[C@@H]3CO2)cc1C ZINC000091720184 180235332 /nfs/dbraw/zinc/23/53/32/180235332.db2.gz VFEWGWFFPJLXEK-OIISXLGYSA-N 1 0 274.408 2.475 10 0 CEAERO Cc1cc([C@H](C)[NH2+][C@H]2CCOC[C@@H]2O)c(C)s1 ZINC000624235363 350238620 /nfs/dbraw/zinc/23/86/20/350238620.db2.gz JEBRIBYIBRPSQI-XDTLVQLUSA-N 1 0 255.383 2.165 10 0 CEAERO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCOC[C@@H]2O)cc1C ZINC000624235900 350239141 /nfs/dbraw/zinc/23/91/41/350239141.db2.gz ROHXEVQRTSANTN-IMJJTQAJSA-N 1 0 263.381 2.412 10 0 CEAERO C[NH2+][C@H](c1ccc(F)cc1C)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721319 180237712 /nfs/dbraw/zinc/23/77/12/180237712.db2.gz XUQSUQRYLFSJLW-FVQBIDKESA-N 1 0 278.371 2.258 10 0 CEAERO CC[NH2+][C@H](Cc1cccc(F)c1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721757 180238081 /nfs/dbraw/zinc/23/80/81/180238081.db2.gz PYHHFSUVARBOGJ-ZACQAIPSSA-N 1 0 292.398 2.210 10 0 CEAERO C[NH2+][C@H](Cc1cccc(Cl)c1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721449 180238919 /nfs/dbraw/zinc/23/89/19/180238919.db2.gz AJPMILQUZFZYDF-OAGGEKHMSA-N 1 0 294.826 2.334 10 0 CEAERO C[NH2+][C@H](c1ccc(C)s1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721499 180239121 /nfs/dbraw/zinc/23/91/21/180239121.db2.gz HBWDTGQPNUQIRN-BZPMIXESSA-N 1 0 266.410 2.180 10 0 CEAERO CCc1ccc(C(=O)N[C@]2(C[NH3+])CCC[C@@H](C)C2)o1 ZINC000091777319 180251931 /nfs/dbraw/zinc/25/19/31/180251931.db2.gz SHGLISWPFGWGTP-IAQYHMDHSA-N 1 0 264.369 2.479 10 0 CEAERO CC(C)(C)[C@@H](CC[NH3+])CCC(=O)Nn1cccc1 ZINC000091787586 180256454 /nfs/dbraw/zinc/25/64/54/180256454.db2.gz MLXJXVGGUGQTAZ-GFCCVEGCSA-N 1 0 251.374 2.350 10 0 CEAERO Cc1noc(CC[NH2+]Cc2ccc(Br)cc2)n1 ZINC000105470134 186059463 /nfs/dbraw/zinc/05/94/63/186059463.db2.gz BVAKCDTZKASFLJ-UHFFFAOYSA-N 1 0 296.168 2.473 10 0 CEAERO Cc1cc(C[N@@H+](C)C2CCC3(CC2)OCCO3)on1 ZINC000091853773 180273312 /nfs/dbraw/zinc/27/33/12/180273312.db2.gz NLWOPBXJOCOEJA-UHFFFAOYSA-N 1 0 266.341 2.101 10 0 CEAERO CCn1cncc1C[N@H+](C)C1CCC2(CC1)OCCO2 ZINC000091853526 180273605 /nfs/dbraw/zinc/27/36/05/180273605.db2.gz YLPSXRIOLYKWAH-UHFFFAOYSA-N 1 0 279.384 2.021 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)Cc2ccccc2F)CC1 ZINC000091854536 180274146 /nfs/dbraw/zinc/27/41/46/180274146.db2.gz AUZXLANGUAYKPY-UHFFFAOYSA-N 1 0 278.371 2.357 10 0 CEAERO C[NH2+][C@H](C)c1ccn(Cc2ncc(Cl)n2C)c1 ZINC000091804230 180259689 /nfs/dbraw/zinc/25/96/89/180259689.db2.gz JEUYTAZRHHQSKH-SECBINFHSA-N 1 0 252.749 2.204 10 0 CEAERO COc1ccc(NC(=O)Cn2ccc([C@@H](C)[NH3+])c2)cc1 ZINC000091803557 180259769 /nfs/dbraw/zinc/25/97/69/180259769.db2.gz ZNUOZZYDNAFLPR-LLVKDONJSA-N 1 0 273.336 2.155 10 0 CEAERO CC[NH2+][C@H](C)c1ccn(CC(=O)N(CC)CC)c1 ZINC000091804866 180260049 /nfs/dbraw/zinc/26/00/49/180260049.db2.gz FCHNOICQUYHEKM-GFCCVEGCSA-N 1 0 251.374 2.027 10 0 CEAERO C[NH2+][C@H](C)c1ccn(Cc2cn3ccccc3n2)c1 ZINC000091804413 180260210 /nfs/dbraw/zinc/26/02/10/180260210.db2.gz IHAXYVVGVYBTRE-GFCCVEGCSA-N 1 0 254.337 2.465 10 0 CEAERO CC[C@@H](C)NC(=O)Cn1ccc([C@@H](CC)[NH2+]C)c1 ZINC000091816611 180263268 /nfs/dbraw/zinc/26/32/68/180263268.db2.gz DVSFPDXHHPSWKD-DGCLKSJQSA-N 1 0 251.374 2.073 10 0 CEAERO CCC[C@H]([NH2+]C)c1ccn(CCCC(=O)N(C)C)c1 ZINC000091822533 180263884 /nfs/dbraw/zinc/26/38/84/180263884.db2.gz KBRDWSCOVUOORY-AWEZNQCLSA-N 1 0 265.401 2.417 10 0 CEAERO CCC[C@H]([NH2+]C)c1ccn(CC(=O)N[C@@H](C)CC)c1 ZINC000091821772 180263899 /nfs/dbraw/zinc/26/38/99/180263899.db2.gz DIMJHXAIJZMFIB-JSGCOSHPSA-N 1 0 265.401 2.463 10 0 CEAERO CCC[C@@H]([NH2+]CC)c1ccn(CC(=O)N[C@@H](C)COC)c1 ZINC000091823294 180264094 /nfs/dbraw/zinc/26/40/94/180264094.db2.gz HBOWGSSDBZFSLR-DZGCQCFKSA-N 1 0 295.427 2.090 10 0 CEAERO CC[NH2+][C@H](c1ccn(CCOCCOC)c1)C(C)C ZINC000091827676 180264479 /nfs/dbraw/zinc/26/44/79/180264479.db2.gz ZKEXCBRWIYPVIX-HNNXBMFYSA-N 1 0 268.401 2.458 10 0 CEAERO CCN(CC)C(=O)Cn1ccc([C@@H]([NH3+])C(C)C)c1 ZINC000091825552 180264846 /nfs/dbraw/zinc/26/48/46/180264846.db2.gz YYZVOSDEMRUYGP-AWEZNQCLSA-N 1 0 251.374 2.012 10 0 CEAERO CC[NH2+][C@@H](c1ccn(CCS(=O)(=O)CC)c1)C(C)C ZINC000091827729 180265266 /nfs/dbraw/zinc/26/52/66/180265266.db2.gz ZJHDEEFMZITDGR-CQSZACIVSA-N 1 0 286.441 2.229 10 0 CEAERO CN(c1ccc(C(N)=O)cc1Cl)C1CCC([NH3+])CC1 ZINC000091849512 180271351 /nfs/dbraw/zinc/27/13/51/180271351.db2.gz GMJAOOSPIHHEKL-UHFFFAOYSA-N 1 0 281.787 2.145 10 0 CEAERO CCN(C(=O)Cc1cccc(OC)c1)C1CCC([NH3+])CC1 ZINC000091850442 180271723 /nfs/dbraw/zinc/27/17/23/180271723.db2.gz DVGASSIRMNJOGX-UHFFFAOYSA-N 1 0 290.407 2.356 10 0 CEAERO CCN(C1CCC([NH3+])CC1)S(=O)(=O)Cc1ccccc1 ZINC000091850582 180272209 /nfs/dbraw/zinc/27/22/09/180272209.db2.gz YHJKZQCOOZEBFJ-UHFFFAOYSA-N 1 0 296.436 2.108 10 0 CEAERO CC[C@@H]1CCC[C@@](O)(C2(C[NH3+])CCOCC2)CC1 ZINC000091923374 180287687 /nfs/dbraw/zinc/28/76/87/180287687.db2.gz KNXBDSZXDGCSRE-HIFRSBDPSA-N 1 0 255.402 2.463 10 0 CEAERO COCC[NH2+]Cc1ncoc1-c1c(F)cccc1F ZINC000091959612 180292371 /nfs/dbraw/zinc/29/23/71/180292371.db2.gz FTOFBUIXHPIZLM-UHFFFAOYSA-N 1 0 268.263 2.356 10 0 CEAERO CCN(CC)C(=O)N(C)C1(C[NH3+])CCC(C)CC1 ZINC000091961581 180292954 /nfs/dbraw/zinc/29/29/54/180292954.db2.gz MKFRBQQNWMEQOH-UHFFFAOYSA-N 1 0 255.406 2.288 10 0 CEAERO CCN(CC)C(=O)NC1(C(N)=[NH2+])CCCCCCC1 ZINC000091962656 180293127 /nfs/dbraw/zinc/29/31/27/180293127.db2.gz CDPRIKORAHDMLQ-UHFFFAOYSA-N 1 0 268.405 2.457 10 0 CEAERO CC[NH2+]C1CCC(N(C)c2ncnc3c2CCC3)CC1 ZINC000091870789 180277260 /nfs/dbraw/zinc/27/72/60/180277260.db2.gz WJNNHLDHKAGBPG-UHFFFAOYSA-N 1 0 274.412 2.322 10 0 CEAERO CC[NH2+]C1CCC(N(C)S(=O)(=O)CCC(C)C)CC1 ZINC000091869926 180277416 /nfs/dbraw/zinc/27/74/16/180277416.db2.gz XNYGYSPVLQJMNG-UHFFFAOYSA-N 1 0 290.473 2.215 10 0 CEAERO C[NH2+]C1CCC(NC(=O)c2cc3c(s2)CCC3)CC1 ZINC000091871723 180278125 /nfs/dbraw/zinc/27/81/25/180278125.db2.gz VTMSMBWOTORKJN-UHFFFAOYSA-N 1 0 278.421 2.497 10 0 CEAERO [NH3+]C[C@]1(C2(O)CCCCC2)CCOc2ccccc21 ZINC000091904599 180283074 /nfs/dbraw/zinc/28/30/74/180283074.db2.gz UKLXTHIGHFQMSC-OAHLLOKOSA-N 1 0 261.365 2.361 10 0 CEAERO C[C@@H]1CC(C)(C)C[C@](O)(C2(C[NH3+])CCOCC2)C1 ZINC000091904859 180283742 /nfs/dbraw/zinc/28/37/42/180283742.db2.gz FFNZPKXFEMPBSY-DOMZBBRYSA-N 1 0 255.402 2.319 10 0 CEAERO O=C(N1CCCCC1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000091969465 180294753 /nfs/dbraw/zinc/29/47/53/180294753.db2.gz CDZUUAKUBPUOFH-KBPBESRZSA-N 1 0 265.401 2.199 10 0 CEAERO COc1ccc([C@@H](O)C(C)(C)C[NH3+])cc1OC(F)F ZINC000091909127 180284741 /nfs/dbraw/zinc/28/47/41/180284741.db2.gz IZHXUPRIGOFCDC-LLVKDONJSA-N 1 0 275.295 2.315 10 0 CEAERO CCOc1cc2c(cc1[C@H](O)[C@@H](CC)C[NH3+])O[C@@H](C)C2 ZINC000091909269 180284751 /nfs/dbraw/zinc/28/47/51/180284751.db2.gz DAAKQFCQFSGINA-XMZIXOGTSA-N 1 0 279.380 2.427 10 0 CEAERO [NH3+]CC1([C@H](O)c2ccc(C(F)(F)F)cc2)CCOCC1 ZINC000091910566 180285218 /nfs/dbraw/zinc/28/52/18/180285218.db2.gz XIEAGWMMGORNHW-GFCCVEGCSA-N 1 0 289.297 2.494 10 0 CEAERO [NH3+]C[C@@]1([C@@H](O)c2cccnc2)CCCc2ccccc21 ZINC000091910123 180285247 /nfs/dbraw/zinc/28/52/47/180285247.db2.gz XQRDAWVSKWXMJE-IRXDYDNUSA-N 1 0 268.360 2.348 10 0 CEAERO [NH3+]CC1([C@H](O)c2ccc3c(c2)OCCCO3)CCC1 ZINC000091912486 180285403 /nfs/dbraw/zinc/28/54/03/180285403.db2.gz QWXKSBRUXVEWRM-CQSZACIVSA-N 1 0 263.337 2.010 10 0 CEAERO CC(C)[C@@H]1C[C@@](O)(C2(C[NH3+])Cc3ccccc3C2)CCO1 ZINC000091918911 180286793 /nfs/dbraw/zinc/28/67/93/180286793.db2.gz UMADANARLDARRZ-FUHWJXTLSA-N 1 0 289.419 2.296 10 0 CEAERO CCC[NH2+]Cc1cc(C)ccc1OC[C@H]1CN(C)CCO1 ZINC000092054618 180314555 /nfs/dbraw/zinc/31/45/55/180314555.db2.gz UQWJEWPAKYOTNV-MRXNPFEDSA-N 1 0 292.423 2.204 10 0 CEAERO C[NH2+][C@@H](C)c1cc(Cl)ccc1OC[C@H]1CN(C)CCO1 ZINC000092054424 180314679 /nfs/dbraw/zinc/31/46/79/180314679.db2.gz SEFSREZQGYWUGJ-WCQYABFASA-N 1 0 298.814 2.330 10 0 CEAERO C[C@H]([NH3+])C1CCN(C(=O)N2CCCCCC2)CC1 ZINC000091971625 180295448 /nfs/dbraw/zinc/29/54/48/180295448.db2.gz UJDDTOGBJHKPQW-LBPRGKRZSA-N 1 0 253.390 2.042 10 0 CEAERO CC1CCN(C(=O)N(C)Cc2ccc(C[NH3+])cc2)CC1 ZINC000091972708 180296106 /nfs/dbraw/zinc/29/61/06/180296106.db2.gz KJFAVUHLASCEJR-UHFFFAOYSA-N 1 0 275.396 2.429 10 0 CEAERO C[C@@H]1CCCN(C(=O)Nc2ccc(CC[NH3+])cc2)C1 ZINC000091972732 180296249 /nfs/dbraw/zinc/29/62/49/180296249.db2.gz NWFVUSVZJWEUND-GFCCVEGCSA-N 1 0 261.369 2.452 10 0 CEAERO CCCN(C(=O)N1CCC(C)CC1)[C@H]1CCC[NH2+]C1 ZINC000091973084 180296673 /nfs/dbraw/zinc/29/66/73/180296673.db2.gz WRJUOYFRAKCWQA-AWEZNQCLSA-N 1 0 267.417 2.302 10 0 CEAERO CC1CCN(C(=O)N2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000091990810 180299900 /nfs/dbraw/zinc/29/99/00/180299900.db2.gz PGKGZJRWLLBDOK-KBPBESRZSA-N 1 0 265.401 2.055 10 0 CEAERO C[C@H]1CCCN(C(=O)N(C)Cc2cccc(C(N)=[NH2+])c2)C1 ZINC000091993241 180300523 /nfs/dbraw/zinc/30/05/23/180300523.db2.gz HYRWKLKMJZMPMB-LBPRGKRZSA-N 1 0 288.395 2.254 10 0 CEAERO CC[NH2+]Cc1nc(C)ccc1OCc1nccn1CC ZINC000091994737 180301307 /nfs/dbraw/zinc/30/13/07/180301307.db2.gz FBLGHEVWPWWLGR-UHFFFAOYSA-N 1 0 274.368 2.295 10 0 CEAERO Cc1ccc(O)c(C[NH2+][C@H]2CCC[C@@H]2n2ccnc2)n1 ZINC000091994160 180301427 /nfs/dbraw/zinc/30/14/27/180301427.db2.gz ZJHBQIVWUYZJRG-JSGCOSHPSA-N 1 0 272.352 2.176 10 0 CEAERO CC[NH2+]Cc1nc(C)ccc1OCCOCC(F)(F)F ZINC000091994784 180301520 /nfs/dbraw/zinc/30/15/20/180301520.db2.gz LKVZQPMBJRQXKG-UHFFFAOYSA-N 1 0 292.301 2.457 10 0 CEAERO Cc1ccc(OC[C@@H](C)O)c(C[NH2+]C(C)(C)C)n1 ZINC000091996002 180301831 /nfs/dbraw/zinc/30/18/31/180301831.db2.gz JHCMDFFYPWALHC-LLVKDONJSA-N 1 0 252.358 2.038 10 0 CEAERO CCOC(=O)[C@@H](CC)Oc1ccc(C)nc1C[C@@H](C)[NH3+] ZINC000092000063 180303929 /nfs/dbraw/zinc/30/39/29/180303929.db2.gz OOBAGRJNTNOUKW-ZWNOBZJWSA-N 1 0 280.368 2.000 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)N[C@@H](c1cccs1)C(C)C ZINC000092133524 180331301 /nfs/dbraw/zinc/33/13/01/180331301.db2.gz KXHSIBBSQPTOTI-CMPLNLGQSA-N 1 0 254.399 2.417 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)N1CCc2sccc2[C@@H]1C1CC1 ZINC000092134252 180331970 /nfs/dbraw/zinc/33/19/70/180331970.db2.gz VOMQSRZNMHIDPB-YGRLFVJLSA-N 1 0 278.421 2.439 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)N(CC(F)(F)F)[C@@H](C)C1CC1 ZINC000092134313 180332239 /nfs/dbraw/zinc/33/22/39/180332239.db2.gz UDEJMIUPKHAGNU-IUCAKERBSA-N 1 0 266.307 2.031 10 0 CEAERO CCC[C@@H](Cc1nc(C(C)(C)OC)no1)[NH2+]CC ZINC000092141411 180334127 /nfs/dbraw/zinc/33/41/27/180334127.db2.gz TYWCBFUKCLSOOY-JTQLQIEISA-N 1 0 255.362 2.272 10 0 CEAERO C[C@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2N)C[C@H]1C ZINC000092080687 180318472 /nfs/dbraw/zinc/31/84/72/180318472.db2.gz SIIAGYKEASNWEQ-AOOOYVTPSA-N 1 0 281.787 2.449 10 0 CEAERO C[C@H]1C[N@@H+]([C@]2(CN)CCN(Cc3ccccc3)C2)C[C@H]1C ZINC000092083575 180320634 /nfs/dbraw/zinc/32/06/34/180320634.db2.gz FZSGOXIZKKHLGJ-JZXOWHBKSA-N 1 0 287.451 2.178 10 0 CEAERO C[C@H]1CN(c2nc(C[NH2+]C3CC3)cs2)C[C@@H]1C ZINC000092090186 180322433 /nfs/dbraw/zinc/32/24/33/180322433.db2.gz NDKXXEKYMQIIGG-UWVGGRQHSA-N 1 0 251.399 2.487 10 0 CEAERO CC[NH2+][C@@H](CN1C(=O)[C@H](C)[C@H](C)C1=O)c1ccc(C)cc1 ZINC000092093964 180322885 /nfs/dbraw/zinc/32/28/85/180322885.db2.gz HBDROPZYTNEMMH-GUTXKFCHSA-N 1 0 288.391 2.287 10 0 CEAERO CCC[C@@H](C(=O)N1CCc2cc(F)ccc2C1)[NH+](C)C ZINC000092097679 180324032 /nfs/dbraw/zinc/32/40/32/180324032.db2.gz KOBDTPSEOQXMSX-HNNXBMFYSA-N 1 0 278.371 2.441 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)Nc2cccc3cccnc32)C1 ZINC000092201169 180342357 /nfs/dbraw/zinc/34/23/57/180342357.db2.gz UIALXZRTLFDFPN-RYUDHWBXSA-N 1 0 253.305 2.077 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2cccc3cccnc32)C1 ZINC000092201168 180342619 /nfs/dbraw/zinc/34/26/19/180342619.db2.gz UIALXZRTLFDFPN-VXGBXAGGSA-N 1 0 253.305 2.077 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)Nc2ccc(F)cc2Br)C1 ZINC000092201798 180342694 /nfs/dbraw/zinc/34/26/94/180342694.db2.gz HLJIDRTXMCOKLR-IONNQARKSA-N 1 0 299.143 2.430 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2cccc3c2CCCC3)C1 ZINC000092201240 180342762 /nfs/dbraw/zinc/34/27/62/180342762.db2.gz YJKNDHQFHANGAL-CHWSQXEVSA-N 1 0 256.349 2.407 10 0 CEAERO CCOc1cc(F)ccc1NC(=O)[C@@H]1C=C[C@H]([NH3+])C1 ZINC000092203760 180343277 /nfs/dbraw/zinc/34/32/77/180343277.db2.gz HPRYBBKSULVYFJ-KOLCDFICSA-N 1 0 264.300 2.066 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)Nc2ccc(Cl)c(F)c2)C1 ZINC000092203345 180343294 /nfs/dbraw/zinc/34/32/94/180343294.db2.gz YAALPOHAMSADEY-YUMQZZPRSA-N 1 0 254.692 2.321 10 0 CEAERO CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092204781 180343703 /nfs/dbraw/zinc/34/37/03/180343703.db2.gz XQYAVVRYGZKJIT-WCQYABFASA-N 1 0 264.756 2.202 10 0 CEAERO Cc1ccc(NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)c2cccnc12 ZINC000092203794 180343754 /nfs/dbraw/zinc/34/37/54/180343754.db2.gz TXACTUARLSZTCT-VXGBXAGGSA-N 1 0 267.332 2.385 10 0 CEAERO CN(Cc1ccc(Cl)s1)C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092204490 180343863 /nfs/dbraw/zinc/34/38/63/180343863.db2.gz HMUYPWHUMQAKBE-RKDXNWHRSA-N 1 0 270.785 2.263 10 0 CEAERO COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2C=C[C@@H]([NH3+])C2)cc1 ZINC000092204467 180343941 /nfs/dbraw/zinc/34/39/41/180343941.db2.gz MZJHBDDRSJWKTH-FMKPAKJESA-N 1 0 286.375 2.262 10 0 CEAERO C[C@H](c1ccccc1F)N(C)C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092204880 180343948 /nfs/dbraw/zinc/34/39/48/180343948.db2.gz YFUVJMDGPIEVDO-IJLUTSLNSA-N 1 0 262.328 2.249 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000092205815 180344148 /nfs/dbraw/zinc/34/41/48/180344148.db2.gz DVGGNJBKXBYPME-IRUJWGPZSA-N 1 0 264.756 2.421 10 0 CEAERO CSc1ccccc1C(=O)N[C@H]1CCC[C@H]1[NH3+] ZINC000092231997 180348411 /nfs/dbraw/zinc/34/84/11/180348411.db2.gz FHYOFZKZALDWJW-MNOVXSKESA-N 1 0 250.367 2.018 10 0 CEAERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccccc1F ZINC000105872178 186080860 /nfs/dbraw/zinc/08/08/60/186080860.db2.gz GWHWXQLXIVKCIG-MNOVXSKESA-N 1 0 260.316 2.083 10 0 CEAERO CCN(C(=O)[C@H]1CSc2ccccc21)C1CC[NH2+]CC1 ZINC000092239148 180350769 /nfs/dbraw/zinc/35/07/69/180350769.db2.gz BPPVRYKGBVDVAO-AWEZNQCLSA-N 1 0 290.432 2.476 10 0 CEAERO O=C(N[C@H]1CCCC[NH2+]C1)[C@@H]1CSc2ccccc21 ZINC000092239517 180350848 /nfs/dbraw/zinc/35/08/48/180350848.db2.gz JYLGGVPDPNLWRA-WCQYABFASA-N 1 0 276.405 2.134 10 0 CEAERO C[NH2+]CCc1nnc([C@H]2CSc3ccccc32)o1 ZINC000092240370 180351499 /nfs/dbraw/zinc/35/14/99/180351499.db2.gz JBTUCYCKTDMKJB-JTQLQIEISA-N 1 0 261.350 2.069 10 0 CEAERO CCN(CCSc1ccccc1)CCC(N)=[NH2+] ZINC000092262291 180354547 /nfs/dbraw/zinc/35/45/47/180354547.db2.gz DDOSBQYMWVSAJC-UHFFFAOYSA-N 1 0 251.399 2.427 10 0 CEAERO Cn1c(C[NH3+])nnc1SC[C@H]1Cc2ccccc2S1 ZINC000092262694 180354752 /nfs/dbraw/zinc/35/47/52/180354752.db2.gz YOCGICOBNZSIJH-SNVBAGLBSA-N 1 0 292.433 2.083 10 0 CEAERO CCN(C)CC[NH2+]C[C@@H]1CSc2ccccc21 ZINC000092275452 180356631 /nfs/dbraw/zinc/35/66/31/180356631.db2.gz VABRHHCJAIGDCA-GFCCVEGCSA-N 1 0 250.411 2.417 10 0 CEAERO COC(=O)CC[N@H+](C)C[C@@H]1CSc2ccccc21 ZINC000092292611 180357786 /nfs/dbraw/zinc/35/77/86/180357786.db2.gz AZNNBAZAROJETK-LLVKDONJSA-N 1 0 265.378 2.371 10 0 CEAERO Cc1cnn(C[C@H]2C[N@H+](CCc3ccccc3)CCO2)c1 ZINC000105891914 186084305 /nfs/dbraw/zinc/08/43/05/186084305.db2.gz KSXKRORPRAPRII-QGZVFWFLSA-N 1 0 285.391 2.135 10 0 CEAERO CN(C[C@@H]1COc2ccccc21)c1cc[nH+]cc1N ZINC000092302776 180359747 /nfs/dbraw/zinc/35/97/47/180359747.db2.gz PSMOQCJKAOTCQW-LLVKDONJSA-N 1 0 255.321 2.276 10 0 CEAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](C[C@@H]3CCCCO3)C2)n1 ZINC000105884699 186083639 /nfs/dbraw/zinc/08/36/39/186083639.db2.gz GVRSFAQKLIAXCY-CVEARBPZSA-N 1 0 292.427 2.176 10 0 CEAERO Cc1cc(-c2noc([C@H]3C=C[C@@H]([NH3+])C3)n2)cc(C)c1O ZINC000092182156 180338760 /nfs/dbraw/zinc/33/87/60/180338760.db2.gz QAHYXUVIQNLNME-CMPLNLGQSA-N 1 0 271.320 2.430 10 0 CEAERO Cc1cccc(Cc2noc([C@@H]3C=C[C@H]([NH3+])C3)n2)c1 ZINC000092181620 180339083 /nfs/dbraw/zinc/33/90/83/180339083.db2.gz DARWXHFREULPHN-OLZOCXBDSA-N 1 0 255.321 2.340 10 0 CEAERO CC[NH2+][C@H](CN1C(=O)C[C@H](C)C1=O)c1ccc(C)c(C)c1 ZINC000105832431 186076467 /nfs/dbraw/zinc/07/64/67/186076467.db2.gz PZLIANWECWDDQJ-DZGCQCFKSA-N 1 0 288.391 2.349 10 0 CEAERO CCCC[N@@H+]1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000105894001 186086711 /nfs/dbraw/zinc/08/67/11/186086711.db2.gz YFDJPBSDRCUQAC-CQSZACIVSA-N 1 0 251.374 2.001 10 0 CEAERO CCc1nc(Cc2ccccn2)nc(CC)c1CC[NH3+] ZINC000092318235 180361369 /nfs/dbraw/zinc/36/13/69/180361369.db2.gz DELLYEHCYMPPRV-UHFFFAOYSA-N 1 0 270.380 2.088 10 0 CEAERO CCCCN(C)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106429406 186116477 /nfs/dbraw/zinc/11/64/77/186116477.db2.gz MBSBMTKUXJUTAS-HNNXBMFYSA-N 1 0 262.397 2.418 10 0 CEAERO CC(C)Oc1ccccc1CN1CCO[C@H](C[NH+](C)C)C1 ZINC000105923926 186090261 /nfs/dbraw/zinc/09/02/61/186090261.db2.gz SOPMVUJDEHHSEY-MRXNPFEDSA-N 1 0 292.423 2.236 10 0 CEAERO CCC[NH2+]CCc1c(C)nn(-c2ccc(C)nn2)c1C ZINC000092322907 180362192 /nfs/dbraw/zinc/36/21/92/180362192.db2.gz ALDUVXRHDICGDH-UHFFFAOYSA-N 1 0 273.384 2.130 10 0 CEAERO CCn1cnnc1C1CC[NH+](CCCOC(C)C)CC1 ZINC000105928389 186092422 /nfs/dbraw/zinc/09/24/22/186092422.db2.gz QWCGOVTUPJJXAT-UHFFFAOYSA-N 1 0 280.416 2.293 10 0 CEAERO CCC[C@H](CC[NH3+])CCC(=O)NCc1c(C)nn(C)c1C ZINC000092328479 180363095 /nfs/dbraw/zinc/36/30/95/180363095.db2.gz DEUOOWZTGBRDDQ-AWEZNQCLSA-N 1 0 294.443 2.198 10 0 CEAERO CC1([NH2+][C@@H]2CC(=O)N(C3CCCC3)C2=O)CCCCC1 ZINC000106050892 186100178 /nfs/dbraw/zinc/10/01/78/186100178.db2.gz GBTXHFGSNYAAGU-CYBMUJFWSA-N 1 0 278.396 2.369 10 0 CEAERO CCOC(=O)C[C@@H](C)[NH2+][C@H](C)c1c(C)noc1C ZINC000092339388 180365367 /nfs/dbraw/zinc/36/53/67/180365367.db2.gz ZVAZGTQPJZYEKY-RKDXNWHRSA-N 1 0 254.330 2.284 10 0 CEAERO Cc1noc(C)c1[C@H](C)N1CC[NH2+][C@@](C)(C2CC2)C1 ZINC000092342332 180365780 /nfs/dbraw/zinc/36/57/80/180365780.db2.gz CZOKRDMKOZUHGQ-XHDPSFHLSA-N 1 0 263.385 2.426 10 0 CEAERO CCOC(=O)C[C@H]([NH3+])c1cc(C)nc2ccccc21 ZINC000092344489 180366185 /nfs/dbraw/zinc/36/61/85/180366185.db2.gz YOGNSEJUTFDXQK-ZDUSSCGKSA-N 1 0 258.321 2.496 10 0 CEAERO CCc1ccc(O)c(NC(=O)C[NH2+]C(C)(C)C)c1 ZINC000092344329 180366205 /nfs/dbraw/zinc/36/62/05/180366205.db2.gz IVGAHAJHFVRGRO-UHFFFAOYSA-N 1 0 250.342 2.281 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C)N1Cc1ccnc2ccccc12 ZINC000092349423 180367493 /nfs/dbraw/zinc/36/74/93/180367493.db2.gz CEOBXXNXRQZGPV-CHWSQXEVSA-N 1 0 255.365 2.417 10 0 CEAERO Cc1cc(Cn2cc(C[NH3+])cn2)c2ccccc2n1 ZINC000092364626 180367849 /nfs/dbraw/zinc/36/78/49/180367849.db2.gz HQXWPNCENMZFCR-UHFFFAOYSA-N 1 0 252.321 2.247 10 0 CEAERO CN(Cc1cccc(Cl)n1)[C@@H]1CCC[N@H+](C)C1 ZINC000092366520 180368898 /nfs/dbraw/zinc/36/88/98/180368898.db2.gz ZUHCLIKPASIHEO-GFCCVEGCSA-N 1 0 253.777 2.261 10 0 CEAERO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1Cc1cccc(Cl)n1 ZINC000092366944 180369466 /nfs/dbraw/zinc/36/94/66/180369466.db2.gz BVPGTUSOHTZSSY-CMPLNLGQSA-N 1 0 265.788 2.165 10 0 CEAERO O=C(COc1ccc(Cl)cc1)NCC[C@@H]1CCC[NH2+]C1 ZINC000106365984 186111102 /nfs/dbraw/zinc/11/11/02/186111102.db2.gz IBRWPJBNEMIXEK-LBPRGKRZSA-N 1 0 296.798 2.225 10 0 CEAERO CNc1cccc(CN2CC[NH+](C3CCCC3)CC2)n1 ZINC000092370194 180369761 /nfs/dbraw/zinc/36/97/61/180369761.db2.gz UKNUACIVZXFLOH-UHFFFAOYSA-N 1 0 274.412 2.184 10 0 CEAERO NNc1cccc(CN2CCC[C@H](C(F)(F)F)C2)[nH+]1 ZINC000092370548 180369838 /nfs/dbraw/zinc/36/98/38/180369838.db2.gz AQASSNCVLKLFSN-VIFPVBQESA-N 1 0 274.290 2.142 10 0 CEAERO CCCNc1cccc(C[N@H+](C)[C@@H](C)COC)n1 ZINC000092368831 180370245 /nfs/dbraw/zinc/37/02/45/180370245.db2.gz DUYBOLMVLLRGOS-LBPRGKRZSA-N 1 0 251.374 2.370 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1nnc(C(C)C)o1 ZINC000106378377 186111942 /nfs/dbraw/zinc/11/19/42/186111942.db2.gz RHZJANIGVXKKHV-LBPRGKRZSA-N 1 0 266.389 2.109 10 0 CEAERO C[C@H]1CCCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000106424472 186116956 /nfs/dbraw/zinc/11/69/56/186116956.db2.gz DKUQHOMCEXNWNM-HOCLYGCPSA-N 1 0 274.408 2.418 10 0 CEAERO COc1ccc2c(c1)[C@H](N1CC[NH2+][C@@H](C)C1)CCC2 ZINC000092387293 180374486 /nfs/dbraw/zinc/37/44/86/180374486.db2.gz BDYWUILVOZRTTE-BLLLJJGKSA-N 1 0 260.381 2.366 10 0 CEAERO CCOC(=O)C[C@@]1([NH2+]C)CCCc2ccc(OC)cc21 ZINC000092390473 180375088 /nfs/dbraw/zinc/37/50/88/180375088.db2.gz LSLLHVIXKIAXBD-INIZCTEOSA-N 1 0 277.364 2.399 10 0 CEAERO CC[NH2+][C@@H]1c2cc(OC)ccc2CC[C@H]1[S@](C)=O ZINC000092389015 180375094 /nfs/dbraw/zinc/37/50/94/180375094.db2.gz YIYKRGQIAHTEKA-HBUWYVDXSA-N 1 0 267.394 2.039 10 0 CEAERO C[NH2+][C@@H]1c2cc(OC)ccc2CC[C@@H]1SCCCO ZINC000092390238 180375613 /nfs/dbraw/zinc/37/56/13/180375613.db2.gz JVJLKXRAXNNBPS-LSDHHAIUSA-N 1 0 281.421 2.386 10 0 CEAERO COc1ccc(OC)c([C@H]2C[NH2+][C@@H](C(C)C)CO2)c1 ZINC000092403450 180378030 /nfs/dbraw/zinc/37/80/30/180378030.db2.gz QQFYWKXTWNOKOP-UKRRQHHQSA-N 1 0 265.353 2.389 10 0 CEAERO C[C@@H]1CC[C@@H](C[NH3+])CN1Cc1cc(Cl)ccn1 ZINC000092417270 180381167 /nfs/dbraw/zinc/38/11/67/180381167.db2.gz MGZCCOJAHSSJQF-MNOVXSKESA-N 1 0 253.777 2.294 10 0 CEAERO OCCC[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccn1 ZINC000092416611 180381497 /nfs/dbraw/zinc/38/14/97/180381497.db2.gz GHGMCCQMEMMOJY-ZDUSSCGKSA-N 1 0 254.761 2.472 10 0 CEAERO Nc1cc[nH+]c(CN2CCC[C@H](C(F)(F)F)C2)c1 ZINC000092419389 180381917 /nfs/dbraw/zinc/38/19/17/180381917.db2.gz ANVHTHXWPJXYMT-VIFPVBQESA-N 1 0 259.275 2.438 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@H](n1ccnc1C)CC2 ZINC000092386057 180373760 /nfs/dbraw/zinc/37/37/60/180373760.db2.gz HNCKXJPVBWPNSY-CABCVRRESA-N 1 0 257.337 2.387 10 0 CEAERO COc1ccc2c(c1)[C@H](N)[C@H]([N@@H+]1CCC[C@@H]1C)CC2 ZINC000092385623 180373848 /nfs/dbraw/zinc/37/38/48/180373848.db2.gz YUDRDWCXIHUBAZ-XZJROXQQSA-N 1 0 260.381 2.494 10 0 CEAERO COCCCO[C@@H]1CCc2ccc(OC)cc2[C@@H]1[NH3+] ZINC000092386731 180374001 /nfs/dbraw/zinc/37/40/01/180374001.db2.gz PEUYKWHWYZHIQX-CABCVRRESA-N 1 0 265.353 2.063 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@H](OC[C@@H]1CCOC1)CC2 ZINC000092386746 180374051 /nfs/dbraw/zinc/37/40/51/180374051.db2.gz NKMCYCAIZAOXHS-LYRGGWFBSA-N 1 0 277.364 2.063 10 0 CEAERO C[NH2+][C@H]1c2cc(OC)ccc2CC[C@H]1OCCCOC ZINC000092386728 180374079 /nfs/dbraw/zinc/37/40/79/180374079.db2.gz BZQNLPVVUBXPQP-CVEARBPZSA-N 1 0 279.380 2.324 10 0 CEAERO CC[C@H](C)N1C(=O)C[C@H]([NH2+]CCc2cccc(C)c2)C1=O ZINC000106929039 186152187 /nfs/dbraw/zinc/15/21/87/186152187.db2.gz JHRLJFYRRXQRSX-ZFWWWQNUSA-N 1 0 288.391 2.053 10 0 CEAERO C[C@@H](O)c1ccccc1NC(=O)C[NH2+]C(C)(C)C ZINC000092461067 180390263 /nfs/dbraw/zinc/39/02/63/180390263.db2.gz KDQIGCUVSNUGFA-SNVBAGLBSA-N 1 0 250.342 2.067 10 0 CEAERO [NH3+]C[C@H]1CCCN1C(=O)/C=C\c1ccccc1Cl ZINC000493727038 290905308 /nfs/dbraw/zinc/90/53/08/290905308.db2.gz QAANQUNXMBVKLM-QDZRJHCZSA-N 1 0 264.756 2.303 10 0 CEAERO Cc1ccc(C(N)=S)c(N(C)C[C@H]2CCC[N@@H+]2C)c1 ZINC000092631953 180421846 /nfs/dbraw/zinc/42/18/46/180421846.db2.gz IHVVRTZOLPHXLH-GFCCVEGCSA-N 1 0 277.437 2.160 10 0 CEAERO COc1ccccc1-c1noc([C@H]2CCC[C@@H]2[NH3+])n1 ZINC000109503612 186257581 /nfs/dbraw/zinc/25/75/81/186257581.db2.gz XNLDVSHWYSHWCO-ONGXEEELSA-N 1 0 259.309 2.340 10 0 CEAERO COc1ccc(-c2noc([C@@H]3CCC[C@@H]3[NH3+])n2)cc1OC ZINC000109505612 186257792 /nfs/dbraw/zinc/25/77/92/186257792.db2.gz IPCAHGOCALLXQC-MNOVXSKESA-N 1 0 289.335 2.349 10 0 CEAERO C[NH2+][C@H](Cc1nc(Cc2ccccn2)no1)C(C)(C)C ZINC000109499665 186257839 /nfs/dbraw/zinc/25/78/39/186257839.db2.gz QVWLSBZPTMHUDT-GFCCVEGCSA-N 1 0 274.368 2.232 10 0 CEAERO C[NH2+][C@@H]1CCC[C@@H]1c1nc(Cc2nc(C)cs2)no1 ZINC000109511005 186257965 /nfs/dbraw/zinc/25/79/65/186257965.db2.gz JICJEQWTKNSMIW-VHSXEESVSA-N 1 0 278.381 2.281 10 0 CEAERO C[NH2+][C@@H](C)[C@@H](c1nc(Cc2cccnc2)no1)C(C)C ZINC000109510852 186257994 /nfs/dbraw/zinc/25/79/94/186257994.db2.gz ZCJCEWDGXBNZIN-FZMZJTMJSA-N 1 0 274.368 2.403 10 0 CEAERO C[NH2+][C@@H](C)Cc1nc(Cc2cc(C)cc(C)c2)no1 ZINC000109509655 186258696 /nfs/dbraw/zinc/25/86/96/186258696.db2.gz SOKLHGLQUBHETF-LBPRGKRZSA-N 1 0 259.353 2.428 10 0 CEAERO C[NH2+][C@@H](Cc1nc(CC(F)(F)F)no1)C(C)(C)C ZINC000109517306 186259146 /nfs/dbraw/zinc/25/91/46/186259146.db2.gz YRKRWVBXUVJHSO-ZETCQYMHSA-N 1 0 265.279 2.351 10 0 CEAERO CC(C)[C@H](c1nc(CC(F)(F)F)no1)[C@@H](C)[NH3+] ZINC000109517210 186259315 /nfs/dbraw/zinc/25/93/15/186259315.db2.gz IFVINDLOKXHACN-SVRRBLITSA-N 1 0 251.252 2.261 10 0 CEAERO CCC[NH2+][C@H](C)[C@@H](CC)c1nc(CCOC)no1 ZINC000109517048 186259341 /nfs/dbraw/zinc/25/93/41/186259341.db2.gz UKZBXUFFSSGQBF-GHMZBOCLSA-N 1 0 255.362 2.140 10 0 CEAERO CC[NH2+][C@@H]1CCCCC[C@@H]1c1nc(COC)no1 ZINC000109518840 186259401 /nfs/dbraw/zinc/25/94/01/186259401.db2.gz CFJCLCGCEJCFHX-WDEREUQCSA-N 1 0 253.346 2.242 10 0 CEAERO CC(C)[C@H]([NH3+])Cc1nc(Cc2cc(F)cc(F)c2)no1 ZINC000109516827 186259472 /nfs/dbraw/zinc/25/94/72/186259472.db2.gz AOQANFYLDHAEJD-GFCCVEGCSA-N 1 0 281.306 2.464 10 0 CEAERO [NH3+]Cc1ccc(CNC(=O)c2ccc(F)c(F)c2)c(F)c1 ZINC000109540259 186260736 /nfs/dbraw/zinc/26/07/36/186260736.db2.gz DKZDFUXNZZLROB-UHFFFAOYSA-N 1 0 294.276 2.493 10 0 CEAERO [NH3+]Cc1ccc(CNC(=O)c2cc(F)cc(F)c2)c(F)c1 ZINC000109540244 186261212 /nfs/dbraw/zinc/26/12/12/186261212.db2.gz HIDXCSGUKJFFGD-UHFFFAOYSA-N 1 0 294.276 2.493 10 0 CEAERO COc1cc([C@@H](C)[NH3+])ccc1O[C@@H]1CCC[C@H]1O ZINC000109562111 186263480 /nfs/dbraw/zinc/26/34/80/186263480.db2.gz YJTPVVKTOXCUHZ-YUSALJHKSA-N 1 0 251.326 2.007 10 0 CEAERO C[NH+](C)C[C@@H]1CCCN1C(=S)NCc1cccs1 ZINC000109670901 186269164 /nfs/dbraw/zinc/26/91/64/186269164.db2.gz UZSYWYBSWHZYSO-NSHDSACASA-N 1 0 283.466 2.149 10 0 CEAERO Cn1cnnc1CC[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000109422664 186251374 /nfs/dbraw/zinc/25/13/74/186251374.db2.gz GXABANIOGQGXFW-UHFFFAOYSA-N 1 0 285.178 2.454 10 0 CEAERO Nc1cccc(F)c1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000109427958 186251915 /nfs/dbraw/zinc/25/19/15/186251915.db2.gz BUILDPIIERJZEJ-ZDUSSCGKSA-N 1 0 277.387 2.468 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)NCCCc2cccc(F)c2)C1 ZINC000109402765 186252105 /nfs/dbraw/zinc/25/21/05/186252105.db2.gz XAYQWGXOEOVCIE-OAHLLOKOSA-N 1 0 293.386 2.104 10 0 CEAERO C[C@H](c1noc(-c2ccc(Cl)s2)n1)N1CC[NH2+]CC1 ZINC000109473543 186254703 /nfs/dbraw/zinc/25/47/03/186254703.db2.gz WZLVPBUSSYZLST-MRVPVSSYSA-N 1 0 298.799 2.418 10 0 CEAERO CC[C@H](c1noc(-c2ccc(C)s2)n1)N1CC[NH2+]CC1 ZINC000109474684 186254844 /nfs/dbraw/zinc/25/48/44/186254844.db2.gz JKFXFSSCCFSTPX-LLVKDONJSA-N 1 0 292.408 2.463 10 0 CEAERO Cc1ccc(C)c(-c2nc([C@H](C)N3CC[NH2+]CC3)no2)c1 ZINC000109474069 186255140 /nfs/dbraw/zinc/25/51/40/186255140.db2.gz DQPHNKWRGLYUGU-ZDUSSCGKSA-N 1 0 286.379 2.320 10 0 CEAERO Cc1ccc(-c2nc(CN3CC[NH2+]CC3)no2)cc1Cl ZINC000109473501 186255335 /nfs/dbraw/zinc/25/53/35/186255335.db2.gz WBFOKMGUUXWSRU-UHFFFAOYSA-N 1 0 292.770 2.104 10 0 CEAERO CCN[C@@H](C[N@H+](CCC(C)C)C1CC1)C(=O)OCC ZINC000109999535 186282450 /nfs/dbraw/zinc/28/24/50/186282450.db2.gz UDGQCJLNHHACBD-AWEZNQCLSA-N 1 0 270.417 2.038 10 0 CEAERO CCC(C)(C)[NH2+]C[C@H](C)Sc1nnc(C)n1C ZINC000110250164 186288706 /nfs/dbraw/zinc/28/87/06/186288706.db2.gz YBHXNYBZQCWUIC-VIFPVBQESA-N 1 0 256.419 2.382 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1nnc(C)n1C)c1ccco1 ZINC000110353505 186293577 /nfs/dbraw/zinc/29/35/77/186293577.db2.gz VNXPFVOBCJLXKQ-ONGXEEELSA-N 1 0 266.370 2.287 10 0 CEAERO COCC[N@H+](CCC(=O)OC)[C@H]1CCC[C@@H](C)C1 ZINC000110433822 186295239 /nfs/dbraw/zinc/29/52/39/186295239.db2.gz NYIPJEHPDXDFIT-OLZOCXBDSA-N 1 0 257.374 2.077 10 0 CEAERO CCC[NH2+]CCCn1cc(C(F)(F)F)ccc1=O ZINC000110459827 186297347 /nfs/dbraw/zinc/29/73/47/186297347.db2.gz ZMQISQBRASZCKW-UHFFFAOYSA-N 1 0 262.275 2.257 10 0 CEAERO C[NH2+][C@@H](CO[C@@H]1CCOC1)c1cc(C)ccc1OC ZINC000110526799 186300636 /nfs/dbraw/zinc/30/06/36/186300636.db2.gz CPDXDYWESLFXQW-OCCSQVGLSA-N 1 0 265.353 2.070 10 0 CEAERO C[NH2+]C[C@@H](O[C@@H]1CCOC1)c1cccc(Cl)c1 ZINC000110529569 186302209 /nfs/dbraw/zinc/30/22/09/186302209.db2.gz FNYBLYJHKCOREI-CHWSQXEVSA-N 1 0 255.745 2.406 10 0 CEAERO CC[NH2+]Cc1nc(O[C@H]2CCOC2)ccc1Cl ZINC000110532669 186302236 /nfs/dbraw/zinc/30/22/36/186302236.db2.gz MSLRCDCMCVZTJU-VIFPVBQESA-N 1 0 256.733 2.012 10 0 CEAERO C[C@H]1CCCC[C@H]1NC(=O)Cc1ccc(C[NH3+])cc1 ZINC000110611698 186305805 /nfs/dbraw/zinc/30/58/05/186305805.db2.gz DBFGMSHOPMOBLF-SWLSCSKDSA-N 1 0 260.381 2.383 10 0 CEAERO C[NH+](C)[C@@H]1CCN(c2cc(OC(F)F)c(F)cc2N)C1 ZINC000110641402 186307416 /nfs/dbraw/zinc/30/74/16/186307416.db2.gz ICTOIPIARXOUNJ-MRVPVSSYSA-N 1 0 289.301 2.150 10 0 CEAERO C[C@@H]([NH3+])C1CCN(C(=O)c2c[nH]c3ccccc23)CC1 ZINC000110647164 186309894 /nfs/dbraw/zinc/30/98/94/186309894.db2.gz ILPYTEJQOBFJMG-LLVKDONJSA-N 1 0 271.364 2.367 10 0 CEAERO C[C@@H]1CCCN(S(=O)(=O)Cc2cccc(C[NH3+])c2)CC1 ZINC000110808932 186326176 /nfs/dbraw/zinc/32/61/76/186326176.db2.gz RBZFYDXAQWKOPI-CYBMUJFWSA-N 1 0 296.436 2.097 10 0 CEAERO CC[C@H]([NH3+])[C@H](O)c1ccc(OC)c(OC)c1Cl ZINC000110827603 186327335 /nfs/dbraw/zinc/32/73/35/186327335.db2.gz XNGODKKXEKYHOM-GZMMTYOYSA-N 1 0 259.733 2.128 10 0 CEAERO CCCC[C@H](CC)C(=O)NC1CC[NH+](CC(N)=S)CC1 ZINC000110825815 186327386 /nfs/dbraw/zinc/32/73/86/186327386.db2.gz DUWCWSLHJNDUFA-LBPRGKRZSA-N 1 0 299.484 2.070 10 0 CEAERO C[NH2+][C@](C)(CCCC[N@H+](C)CC1CCCC1)C(=O)[O-] ZINC000110841012 186328828 /nfs/dbraw/zinc/32/88/28/186328828.db2.gz AIHPKCVIFLIWIK-OAHLLOKOSA-N 1 0 270.417 2.341 10 0 CEAERO C[C@H](Oc1cccc(Cl)c1)C(=O)N(C)[C@@H]1CCC[NH2+]C1 ZINC000110926843 186333118 /nfs/dbraw/zinc/33/31/18/186333118.db2.gz HDQPKNVKLNCXRW-WCQYABFASA-N 1 0 296.798 2.318 10 0 CEAERO CCCN(CC(=O)N(C(C)C)C(C)C)[C@@H]1CCC[NH2+]C1 ZINC000110946419 186335561 /nfs/dbraw/zinc/33/55/61/186335561.db2.gz KLFKCYMFVQMQKM-OAHLLOKOSA-N 1 0 283.460 2.096 10 0 CEAERO CCN(Cc1cn2cc(C)ccc2n1)[C@H]1CCC[NH2+]C1 ZINC000110944099 186335742 /nfs/dbraw/zinc/33/57/42/186335742.db2.gz XCJSKFPVNFIDJA-HNNXBMFYSA-N 1 0 272.396 2.217 10 0 CEAERO CCCN(C[C@@](C)(O)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000110945972 186335753 /nfs/dbraw/zinc/33/57/53/186335753.db2.gz NTYMOQLTXPNOGP-IAGOWNOFSA-N 1 0 276.424 2.358 10 0 CEAERO CCc1nc(CN(CC)[C@H]2CCC[NH2+]C2)cs1 ZINC000110943633 186335922 /nfs/dbraw/zinc/33/59/22/186335922.db2.gz CHBVBXHSYMZKAI-LBPRGKRZSA-N 1 0 253.415 2.279 10 0 CEAERO CC[C@@H](C)NC(=O)COc1cc(C)ccc1[C@@H](C)[NH3+] ZINC000110957795 186336325 /nfs/dbraw/zinc/33/63/25/186336325.db2.gz AJZIXJKHIJSGHS-VXGBXAGGSA-N 1 0 264.369 2.308 10 0 CEAERO C[N@@H+]1CCN(C(=O)c2ccc(Cl)c(N)c2)CC1(C)C ZINC000110701581 186314141 /nfs/dbraw/zinc/31/41/41/186314141.db2.gz YAARLBSTLJPPAM-UHFFFAOYSA-N 1 0 281.787 2.088 10 0 CEAERO CN1CC[N@@H+]([C@@H](CC(N)=S)c2ccccc2)CC1(C)C ZINC000110720145 186316292 /nfs/dbraw/zinc/31/62/92/186316292.db2.gz KDFAYUSQXKNWEV-AWEZNQCLSA-N 1 0 291.464 2.430 10 0 CEAERO CC[N@@H+]1CCN(Cc2nc(NC)ccc2Cl)C[C@@H]1C ZINC000110742754 186318587 /nfs/dbraw/zinc/31/85/87/186318587.db2.gz AGXOHPARFGEJOV-NSHDSACASA-N 1 0 282.819 2.303 10 0 CEAERO Cc1ccc([C@H](O)C[N@H+]2CCN(C)C(C)(C)C2)cc1C ZINC000110736434 186318778 /nfs/dbraw/zinc/31/87/78/186318778.db2.gz MZWSWSHPZPPBLR-MRXNPFEDSA-N 1 0 276.424 2.363 10 0 CEAERO CCNc1ccc(CN2CC[N@H+](C)[C@@H](CC)C2)cn1 ZINC000110743009 186319095 /nfs/dbraw/zinc/31/90/95/186319095.db2.gz QOFSPDFJJZJNKL-AWEZNQCLSA-N 1 0 262.401 2.039 10 0 CEAERO Cc1ccc([C@H](O)CC[N@H+]2CCN(C)C(C)(C)C2)cc1 ZINC000110748310 186320502 /nfs/dbraw/zinc/32/05/02/186320502.db2.gz KFBYXHDRLBBPOL-MRXNPFEDSA-N 1 0 276.424 2.445 10 0 CEAERO CC(C)C[NH2+]Cc1cnc(N2CCN(C)[C@@H](C)C2)s1 ZINC000110758377 186322010 /nfs/dbraw/zinc/32/20/10/186322010.db2.gz CWGHOSPZTHLBFX-LBPRGKRZSA-N 1 0 282.457 2.029 10 0 CEAERO CC[C@@H]1CN(Cc2ccc3c(c2)CCN3)CC[N@@H+]1C ZINC000110762932 186322919 /nfs/dbraw/zinc/32/29/19/186322919.db2.gz ZBJCXALUGZAWSH-OAHLLOKOSA-N 1 0 259.397 2.181 10 0 CEAERO CCNc1ccccc1C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000110764118 186323336 /nfs/dbraw/zinc/32/33/36/186323336.db2.gz BEBIIGDBZVCIEA-UHFFFAOYSA-N 1 0 275.396 2.285 10 0 CEAERO Cc1nc(C[NH3+])sc1-c1nncn1C1CCCC1 ZINC000110791219 186324530 /nfs/dbraw/zinc/32/45/30/186324530.db2.gz UUEIKKBKIWMTBQ-UHFFFAOYSA-N 1 0 263.370 2.284 10 0 CEAERO CC[NH+]1CCC(N(C)c2ccc(N)c(OC)c2)CC1 ZINC000111053822 186348324 /nfs/dbraw/zinc/34/83/24/186348324.db2.gz ZVJHNZDUPPNRPW-UHFFFAOYSA-N 1 0 263.385 2.198 10 0 CEAERO C[C@@H]([NH3+])[C@H](Oc1ccccc1CO)c1ccccn1 ZINC000110993191 186341600 /nfs/dbraw/zinc/34/16/00/186341600.db2.gz FMTMYSHYIASJLD-ABAIWWIYSA-N 1 0 258.321 2.041 10 0 CEAERO CC[NH+](CC)[C@H]1CCN(C(=O)c2c(N)cccc2Cl)C1 ZINC000111012835 186342711 /nfs/dbraw/zinc/34/27/11/186342711.db2.gz SXRJEDBIYFVWCE-NSHDSACASA-N 1 0 295.814 2.479 10 0 CEAERO [NH3+]Cc1cc(F)ccc1N[C@@H](CO)Cc1ccccc1 ZINC000111028375 186345874 /nfs/dbraw/zinc/34/58/74/186345874.db2.gz XSUAHPVMMFGWKV-OAHLLOKOSA-N 1 0 274.339 2.300 10 0 CEAERO NC(=O)c1cc(F)ccc1NC[C@H]([NH3+])c1ccccc1 ZINC000111027419 186346052 /nfs/dbraw/zinc/34/60/52/186346052.db2.gz KPUWTWBBQWIMFI-ZDUSSCGKSA-N 1 0 273.311 2.037 10 0 CEAERO CN(Cc1ccccn1)[C@@H](C[NH3+])c1cccc(F)c1F ZINC000111039285 186346702 /nfs/dbraw/zinc/34/67/02/186346702.db2.gz NIWNCFIZWRYWQX-AWEZNQCLSA-N 1 0 277.318 2.492 10 0 CEAERO C[C@H](C[NH+]1CCCC1)Nc1ccc(F)cc1C(N)=S ZINC000111031017 186347204 /nfs/dbraw/zinc/34/72/04/186347204.db2.gz FGZDGUFVWCSGDT-SNVBAGLBSA-N 1 0 281.400 2.356 10 0 CEAERO CCC[C@@]1(C(=O)Nc2ccncc2C)CCC[NH2+]C1 ZINC000111043663 186347438 /nfs/dbraw/zinc/34/74/38/186347438.db2.gz DRQIFZGMHUJQDI-OAHLLOKOSA-N 1 0 261.369 2.498 10 0 CEAERO COc1ccc(C=O)cc1C[N@H+](C)C[C@H]1CCCOC1 ZINC000111166302 186363525 /nfs/dbraw/zinc/36/35/25/186363525.db2.gz VEPRAVOVJYVKFU-CQSZACIVSA-N 1 0 277.364 2.366 10 0 CEAERO CC[NH2+][C@H](CN(C)C[C@@H]1CCCOC1)C(C)(C)C ZINC000111160846 186361788 /nfs/dbraw/zinc/36/17/88/186361788.db2.gz XKHMSYUIJBSKCE-UONOGXRCSA-N 1 0 256.434 2.369 10 0 CEAERO C[C@H]1CCC[C@@](CN)([N@H+](C)C[C@@H]2CCCOC2)C1 ZINC000111158743 186362105 /nfs/dbraw/zinc/36/21/05/186362105.db2.gz OWKZUWACOADUPB-SOUVJXGZSA-N 1 0 254.418 2.252 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccncc1)N(C)CC1CCOCC1 ZINC000111156024 186362722 /nfs/dbraw/zinc/36/27/22/186362722.db2.gz NECANTIMDPTNJT-HZPDHXFCSA-N 1 0 277.412 2.218 10 0 CEAERO C[C@@H]([NH3+])c1cccc(NS(=O)(=O)C(C)(C)C)c1 ZINC000111072188 186351071 /nfs/dbraw/zinc/35/10/71/186351071.db2.gz BPNUWANLECYEKQ-SECBINFHSA-N 1 0 256.371 2.247 10 0 CEAERO CCCOCCO[C@@H](c1ccccn1)[C@H]([NH3+])CC ZINC000111105604 186352479 /nfs/dbraw/zinc/35/24/79/186352479.db2.gz VBIDQILICGWRFW-TZMCWYRMSA-N 1 0 252.358 2.303 10 0 CEAERO COc1cccc([C@@H](C[NH3+])Sc2ccncn2)c1 ZINC000111113728 186353436 /nfs/dbraw/zinc/35/34/36/186353436.db2.gz QFQNRGOWFIEZAI-GFCCVEGCSA-N 1 0 261.350 2.277 10 0 CEAERO CCOCCN(CC)[C@@H](C[NH3+])c1cccc(OC)c1OC ZINC000111117811 186354745 /nfs/dbraw/zinc/35/47/45/186354745.db2.gz YFOGLMHLUPYMBG-AWEZNQCLSA-N 1 0 296.411 2.062 10 0 CEAERO CCOCCN(CC)Cc1csc(C[NH2+]C(C)C)n1 ZINC000111123643 186355546 /nfs/dbraw/zinc/35/55/46/186355546.db2.gz LXNQWLPIOWJXEO-UHFFFAOYSA-N 1 0 285.457 2.500 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2OC[C@@H]1N(CC)CCOCC ZINC000111118795 186355782 /nfs/dbraw/zinc/35/57/82/186355782.db2.gz IJRQABORGDIOBJ-RDJZCZTQSA-N 1 0 292.423 2.457 10 0 CEAERO CN(CCC[NH+](C)C)c1cc(OC(F)F)c(F)cc1N ZINC000111132270 186355871 /nfs/dbraw/zinc/35/58/71/186355871.db2.gz AJSWSUORQXTZLS-UHFFFAOYSA-N 1 0 291.317 2.397 10 0 CEAERO CCOCCN(CC)C(=O)CC1CCC(C[NH3+])CC1 ZINC000111127182 186355992 /nfs/dbraw/zinc/35/59/92/186355992.db2.gz WFKAFYNFEAEUPO-UHFFFAOYSA-N 1 0 270.417 2.027 10 0 CEAERO CN(CCC[NH+](C)C)C1N=NC(=S)N1C1CCCC1 ZINC000111141303 186356992 /nfs/dbraw/zinc/35/69/92/186356992.db2.gz UBXFPQBSMVHTFV-UHFFFAOYSA-N 1 0 283.445 2.070 10 0 CEAERO C[C@@H]([C@H](O)c1ccccc1)[N@H+](C)CC1CCOCC1 ZINC000111168852 186363440 /nfs/dbraw/zinc/36/34/40/186363440.db2.gz SMPLCFPMUHLGQX-BBRMVZONSA-N 1 0 263.381 2.467 10 0 CEAERO CN(CC[NH+](C)C)C[C@@H](O)c1cccc2ccccc21 ZINC000111143254 186359356 /nfs/dbraw/zinc/35/93/56/186359356.db2.gz APNWAEVNZJDJAJ-QGZVFWFLSA-N 1 0 272.392 2.367 10 0 CEAERO CNc1ccc(Cl)c(CN(C)CCC[NH+](C)C)n1 ZINC000111146265 186359658 /nfs/dbraw/zinc/35/96/58/186359658.db2.gz QDEVFMXVAWWNMT-UHFFFAOYSA-N 1 0 270.808 2.160 10 0 CEAERO Cc1ccsc1[C@@H](CN)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111154663 186360336 /nfs/dbraw/zinc/36/03/36/186360336.db2.gz NGIIEKXXMQNOAP-QWHCGFSZSA-N 1 0 268.426 2.415 10 0 CEAERO Cc1cccc(C)c1OC[C@@H](O)C[NH2+]CC1CCOCC1 ZINC000111161657 186363592 /nfs/dbraw/zinc/36/35/92/186363592.db2.gz CTXQCRSNZVENRA-INIZCTEOSA-N 1 0 293.407 2.059 10 0 CEAERO CCOc1ccccc1[C@H](O)C[N@H+](C)CC1CCOCC1 ZINC000111168834 186364251 /nfs/dbraw/zinc/36/42/51/186364251.db2.gz ACMACZKBIQITFY-MRXNPFEDSA-N 1 0 293.407 2.477 10 0 CEAERO C[N@@H+](Cc1ccc(F)cc1C(N)=S)C[C@@H]1CCCOC1 ZINC000111163050 186364338 /nfs/dbraw/zinc/36/43/38/186364338.db2.gz GFMJBCOBBNETJU-NSHDSACASA-N 1 0 296.411 2.318 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2OC[C@@H]1N(C)C[C@@H]1CCCOC1 ZINC000111160986 186364369 /nfs/dbraw/zinc/36/43/69/186364369.db2.gz FVKUFFILRBAWSG-JLJPHGGASA-N 1 0 290.407 2.067 10 0 CEAERO COc1ccc(C=O)cc1C[N@H+](C)C[C@@H]1CCCOC1 ZINC000111166299 186364433 /nfs/dbraw/zinc/36/44/33/186364433.db2.gz VEPRAVOVJYVKFU-AWEZNQCLSA-N 1 0 277.364 2.366 10 0 CEAERO C[N@H+](CC1CCOCC1)C[C@H]1CCCCC[C@@H]1O ZINC000111173421 186364809 /nfs/dbraw/zinc/36/48/09/186364809.db2.gz OJCQHIMZJPGPAH-CABCVRRESA-N 1 0 255.402 2.286 10 0 CEAERO CC(C)CC[NH2+]C[C@H](C)N(C)CC1CCOCC1 ZINC000111176646 186364853 /nfs/dbraw/zinc/36/48/53/186364853.db2.gz GZFDGHSDMJTNAE-AWEZNQCLSA-N 1 0 256.434 2.369 10 0 CEAERO CN(C)c1nnc(S[C@H]2CCCC[C@H]2C[NH3+])s1 ZINC000111316279 186395822 /nfs/dbraw/zinc/39/58/22/186395822.db2.gz NCYXCFCXHTVRMO-IUCAKERBSA-N 1 0 272.443 2.214 10 0 CEAERO C[NH2+][C@H](c1nc2c(s1)CCC2)[C@@H]1CCCOC1 ZINC000111322188 186396726 /nfs/dbraw/zinc/39/67/26/186396726.db2.gz QQDFSGAMSFGOEU-SKDRFNHKSA-N 1 0 252.383 2.319 10 0 CEAERO C[NH2+]C[C@@]1(CN(C)c2cccc(C)c2)CCCOC1 ZINC000111326926 186398931 /nfs/dbraw/zinc/39/89/31/186398931.db2.gz JOGLEQXFPNHZBR-MRXNPFEDSA-N 1 0 262.397 2.447 10 0 CEAERO CC[NH2+]C[C@@]1(CN(C)Cc2ccco2)CCCOC1 ZINC000111325134 186399207 /nfs/dbraw/zinc/39/92/07/186399207.db2.gz WCXLZPURKKHCFR-OAHLLOKOSA-N 1 0 266.385 2.118 10 0 CEAERO Cc1ccccc1C[N@@H+](C)C[C@]1(CO)CCCOC1 ZINC000111331487 186399684 /nfs/dbraw/zinc/39/96/84/186399684.db2.gz HQRYBSSVBZVAEC-INIZCTEOSA-N 1 0 263.381 2.216 10 0 CEAERO CCn1c(CC[C@@H]2CCC[NH2+]C2)nc2cccnc21 ZINC000111348785 186403053 /nfs/dbraw/zinc/40/30/53/186403053.db2.gz GDGARCVIJPGJBT-LBPRGKRZSA-N 1 0 258.369 2.383 10 0 CEAERO CCN(C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)C1CCCC1 ZINC000111243774 186376259 /nfs/dbraw/zinc/37/62/59/186376259.db2.gz DLMRZZCMSHDHGO-LBPRGKRZSA-N 1 0 278.318 2.320 10 0 CEAERO COCCn1c2ccccc2nc1[C@@H]1C[NH2+]C[C@@H]1C ZINC000111256130 186379369 /nfs/dbraw/zinc/37/93/69/186379369.db2.gz FHHMJWKFKUWZGL-NWDGAFQWSA-N 1 0 259.353 2.006 10 0 CEAERO CCOc1cccc(-c2noc([C@H]3C[NH2+]C[C@H]3C)n2)c1 ZINC000111256405 186379818 /nfs/dbraw/zinc/37/98/18/186379818.db2.gz DWQCVTFOPGEXGI-MFKMUULPSA-N 1 0 273.336 2.458 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1ccccc1N1CCCC1 ZINC000111265165 186382012 /nfs/dbraw/zinc/38/20/12/186382012.db2.gz KYPNDJVSPDKAMD-QWHCGFSZSA-N 1 0 273.380 2.081 10 0 CEAERO Cc1cccc(CN(C(=O)[C@@H]2C[NH2+]C[C@@H]2C)C2CC2)c1 ZINC000111268710 186383729 /nfs/dbraw/zinc/38/37/29/186383729.db2.gz KRQCEVLGOBGNNA-XJKSGUPXSA-N 1 0 272.392 2.342 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(Cc1cccs1)C1CC1 ZINC000111268650 186383911 /nfs/dbraw/zinc/38/39/11/186383911.db2.gz WPYFPKGHFNJWJF-ZWNOBZJWSA-N 1 0 264.394 2.095 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)N(C)CCCCc1ccccc1 ZINC000111269230 186384556 /nfs/dbraw/zinc/38/45/56/186384556.db2.gz ODPYVHQGHWIHEP-GOEBONIOSA-N 1 0 274.408 2.323 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1CCCc2sccc21 ZINC000111272556 186384934 /nfs/dbraw/zinc/38/49/34/186384934.db2.gz LGNJCVNKDHJHRX-ADEWGFFLSA-N 1 0 264.394 2.097 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2cc[nH]c2c1 ZINC000111288995 186391054 /nfs/dbraw/zinc/39/10/54/186391054.db2.gz IMMHQWPSEUXKFR-AGUYFDCRSA-N 1 0 269.348 2.262 10 0 CEAERO [NH3+][C@@H](c1ccc2c(c1)COC2)c1ccc2[nH]c(=O)oc2c1 ZINC000111305679 186393523 /nfs/dbraw/zinc/39/35/23/186393523.db2.gz IQGCOEZUPXXTPC-HNNXBMFYSA-N 1 0 282.299 2.199 10 0 CEAERO CN(Cc1ccoc1)c1nc2sccn2c1CC[NH3+] ZINC000111485136 186422690 /nfs/dbraw/zinc/42/26/90/186422690.db2.gz VZINPNVSDFDZQF-UHFFFAOYSA-N 1 0 276.365 2.126 10 0 CEAERO CC[C@@H]([NH3+])Cc1c(-n2nc(C)cc2C)nc2sccn12 ZINC000111512515 186425920 /nfs/dbraw/zinc/42/59/20/186425920.db2.gz ULAIAMHLPUEKGO-LLVKDONJSA-N 1 0 289.408 2.478 10 0 CEAERO Cc1cc(C[C@H](C)[NH3+])ccc1Sc1nncn1C ZINC000111581877 186430046 /nfs/dbraw/zinc/43/00/46/186430046.db2.gz BDQDNYCOIGUWGQ-JTQLQIEISA-N 1 0 262.382 2.164 10 0 CEAERO CC(C)CCS(=O)(=O)N(CCC[NH3+])c1ccccc1 ZINC000111656820 186438252 /nfs/dbraw/zinc/43/82/52/186438252.db2.gz RBBHLUZWZZEDMF-UHFFFAOYSA-N 1 0 284.425 2.218 10 0 CEAERO CCCCCNC(=O)[C@@H](C)N1CCCC[C@@H]1C[NH2+]C1CC1 ZINC000111703582 186447620 /nfs/dbraw/zinc/44/76/20/186447620.db2.gz LTHXCSWZQQNFJS-GDBMZVCRSA-N 1 0 295.471 2.288 10 0 CEAERO CCOC(=O)c1cccnc1N[C@@H](C[NH3+])CC(C)C ZINC000111830604 186461002 /nfs/dbraw/zinc/46/10/02/186461002.db2.gz LEALWQAVCHSANZ-LLVKDONJSA-N 1 0 265.357 2.044 10 0 CEAERO COc1ccc(C)cc1C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000111363785 186406014 /nfs/dbraw/zinc/40/60/14/186406014.db2.gz PPPABHFHOPJKTN-CYBMUJFWSA-N 1 0 276.380 2.347 10 0 CEAERO Cc1ccc(C(=O)N[C@@]2(C[NH3+])CCC[C@@H](C)C2)c(C)n1 ZINC000111369667 186407719 /nfs/dbraw/zinc/40/77/19/186407719.db2.gz JJEFPWIANGJMPI-BZNIZROVSA-N 1 0 275.396 2.336 10 0 CEAERO CC[C@H](C[NH2+]C1CC1)N(C)Cc1scnc1C ZINC000113362615 186573083 /nfs/dbraw/zinc/57/30/83/186573083.db2.gz BTZFOTUEUDIDGX-GFCCVEGCSA-N 1 0 253.415 2.414 10 0 CEAERO C[C@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)[C@@H]1CCC[NH2+]C1 ZINC000629514565 351383698 /nfs/dbraw/zinc/38/36/98/351383698.db2.gz RPINNBFQUUZCMI-LXZKKBNFSA-N 1 0 274.408 2.106 10 0 CEAERO O[C@H](C[NH2+]C[C@H]1CCCC12CC2)COCc1ccco1 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[NH3+][C@@H]1CCN(c2cc(-c3cccc(Cl)c3)[nH]n2)C1 ZINC000070460173 363086861 /nfs/dbraw/zinc/08/68/61/363086861.db2.gz FDBOIBGWZZERBS-LLVKDONJSA-N 1 0 262.744 2.268 10 0 CEAERO CCc1cc(N2CC[C@@H]([NH3+])C2)nc(-c2cccc(F)c2)n1 ZINC000070455810 363084520 /nfs/dbraw/zinc/08/45/20/363084520.db2.gz BVQRSDHJKGCYPB-CYBMUJFWSA-N 1 0 286.354 2.383 10 0 CEAERO CO[C@H]1CN(Cc2sccc2Cl)[C@@](C)(C[NH3+])C1 ZINC000630367350 351714518 /nfs/dbraw/zinc/71/45/18/351714518.db2.gz OBYLUEBKQSFQFJ-BXKDBHETSA-N 1 0 274.817 2.340 10 0 CEAERO [NH3+][C@@H]1CCCCCN(c2ccc(OC(F)F)cn2)C1 ZINC000630548674 351780946 /nfs/dbraw/zinc/78/09/46/351780946.db2.gz IQNRPIREGVCUKY-SNVBAGLBSA-N 1 0 271.311 2.391 10 0 CEAERO [NH3+]C[C@H]1CC[C@H](Nc2ncncc2Br)CC1 ZINC000630557834 351785641 /nfs/dbraw/zinc/78/56/41/351785641.db2.gz TZAIEFISUTVOPB-KYZUINATSA-N 1 0 285.189 2.169 10 0 CEAERO C[C@H]1CN(c2cc(C(F)(F)F)ccn2)C[C@H]1C[NH3+] ZINC000630572673 351788896 /nfs/dbraw/zinc/78/88/96/351788896.db2.gz RCABBCVHJZGTSB-DTWKUNHWSA-N 1 0 259.275 2.131 10 0 CEAERO CCCOc1nccnc1NCCC[NH2+]C(C)C ZINC000630508952 351763836 /nfs/dbraw/zinc/76/38/36/351763836.db2.gz SKZOSIFNPDLPAX-UHFFFAOYSA-N 1 0 252.362 2.065 10 0 CEAERO Cn1cccc1C[NH+]1CCC(Cn2cccn2)CC1 ZINC000122120947 187016116 /nfs/dbraw/zinc/01/61/16/187016116.db2.gz JYMDLQTXJTYRCL-UHFFFAOYSA-N 1 0 258.369 2.134 10 0 CEAERO [NH3+][C@H]1CCC[C@@H](c2nc(Cc3cccnc3)no2)C1 ZINC000070557725 363095299 /nfs/dbraw/zinc/09/52/99/363095299.db2.gz XYYPSFMCIXXFMU-NEPJUHHUSA-N 1 0 258.325 2.040 10 0 CEAERO CC[C@@](C)(O)C[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000123567718 187098544 /nfs/dbraw/zinc/09/85/44/187098544.db2.gz CFGKQTUHKNAKTM-UKRRQHHQSA-N 1 0 265.401 2.335 10 0 CEAERO CN(CCc1cccs1)C(=O)C1CCC([NH3+])CC1 ZINC000093289449 539846769 /nfs/dbraw/zinc/84/67/69/539846769.db2.gz JGMFJSNFIADSGK-UHFFFAOYSA-N 1 0 266.410 2.267 10 0 CEAERO Cc1ccccc1CCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000094183848 539870858 /nfs/dbraw/zinc/87/08/58/539870858.db2.gz XVRBSOMTGWBWLI-CQSZACIVSA-N 1 0 260.381 2.043 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)c1ccccc1F ZINC000094462232 539879891 /nfs/dbraw/zinc/87/98/91/539879891.db2.gz OOULKZKZKJOKIQ-CHWSQXEVSA-N 1 0 276.355 2.177 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cc(C)cc(C)c1O ZINC000094574498 539882697 /nfs/dbraw/zinc/88/26/97/539882697.db2.gz HWTNWYQYLAHBIW-BXKDBHETSA-N 1 0 250.342 2.321 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000094646792 539883631 /nfs/dbraw/zinc/88/36/31/539883631.db2.gz OZTGGGXZCNQUPQ-WCQYABFASA-N 1 0 290.363 2.175 10 0 CEAERO CCN1CCO[C@H](C[NH2+]C2C[C@@H](C)C[C@H](C)C2)C1 ZINC000252649645 539884893 /nfs/dbraw/zinc/88/48/93/539884893.db2.gz XJAFXPKTIOKFQT-KCQAQPDRSA-N 1 0 254.418 2.121 10 0 CEAERO COc1ccc(F)c(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000094855297 539887033 /nfs/dbraw/zinc/88/70/33/539887033.db2.gz QEKPPSQMNDWHJB-GXSJLCMTSA-N 1 0 266.316 2.148 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000252740381 539897258 /nfs/dbraw/zinc/89/72/58/539897258.db2.gz 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/nfs/dbraw/zinc/82/22/70/538822270.db2.gz BZJTXCALBONFEL-HUUCEWRRSA-N 1 0 287.444 2.299 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N[C@@H]1CCc2ccccc21 ZINC000227392776 538819273 /nfs/dbraw/zinc/81/92/73/538819273.db2.gz UKLOBFDJQIDJCE-NWANDNLSSA-N 1 0 258.365 2.165 10 0 CEAERO CC(C)Cc1nnc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])s1 ZINC000227420060 538833732 /nfs/dbraw/zinc/83/37/32/538833732.db2.gz MVHQVFJDNHHTDG-UWVGGRQHSA-N 1 0 282.413 2.050 10 0 CEAERO O=C1CC[C@H](C[NH2+]Cc2ccc(Cl)cc2Cl)N1 ZINC000070210704 538893682 /nfs/dbraw/zinc/89/36/82/538893682.db2.gz KKWWDIDHOJDLKN-SNVBAGLBSA-N 1 0 273.163 2.362 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)c1cc2ccc(F)cc2s1 ZINC000310641570 540348503 /nfs/dbraw/zinc/34/85/03/540348503.db2.gz BQVGEJBVGWMSAB-QMMMGPOBSA-N 1 0 266.341 2.378 10 0 CEAERO Cc1cc(N2CCC[C@H](Nc3cc[nH+]c(C)c3)C2=O)n(C)n1 ZINC000274950336 192855682 /nfs/dbraw/zinc/85/56/82/192855682.db2.gz VAWAQJBXBSUEFW-AWEZNQCLSA-N 1 0 299.378 2.039 10 0 CEAERO C[N@H+](Cc1ccccc1)[C@@H]1CC(=O)N[C@H](C(F)(F)F)C1 ZINC000685947077 540638622 /nfs/dbraw/zinc/63/86/22/540638622.db2.gz QUPZVYCHUYWXGG-RYUDHWBXSA-N 1 0 286.297 2.328 10 0 CEAERO C[C@@H](NC[C@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000151325708 366639573 /nfs/dbraw/zinc/63/95/73/366639573.db2.gz VLCAVSGWBWPFQG-CJNGLKHVSA-N 1 0 280.387 2.323 10 0 CEAERO C[C@H](NC[C@H](O)C[NH+]1CCCCC1)c1cccc(F)c1 ZINC000151325266 366639887 /nfs/dbraw/zinc/63/98/87/366639887.db2.gz QTMXPIUBFOVSJS-BBRMVZONSA-N 1 0 280.387 2.323 10 0 CEAERO C[NH+](C)C[C@@H](NC(=O)CC[C@@H]1CCOC1)c1ccccc1 ZINC000176584748 189000791 /nfs/dbraw/zinc/00/07/91/189000791.db2.gz AHWJFVIAXUNFAH-GDBMZVCRSA-N 1 0 290.407 2.222 10 0 CEAERO C[C@@H](O)C[NH+]1CCC(CN(C)c2ccncc2Cl)CC1 ZINC000176922850 189014413 /nfs/dbraw/zinc/01/44/13/189014413.db2.gz CCMLFGPYKUANEO-GFCCVEGCSA-N 1 0 297.830 2.264 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)NCc2cccs2)[C@@H](C)C1 ZINC000176925765 189014569 /nfs/dbraw/zinc/01/45/69/189014569.db2.gz AEQKVTVPIXEARC-AAEUAGOBSA-N 1 0 281.425 2.276 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)COc1ccc(F)cc1 ZINC000176994477 189019319 /nfs/dbraw/zinc/01/93/19/189019319.db2.gz IWVNEYWZFATIKH-AWEZNQCLSA-N 1 0 294.370 2.147 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cc1ccc(OC)cc1 ZINC000176999079 189019899 /nfs/dbraw/zinc/01/98/99/189019899.db2.gz BEINEPBDFYKWAG-HNNXBMFYSA-N 1 0 290.407 2.180 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1nc(C)cs1 ZINC000177320356 189043639 /nfs/dbraw/zinc/04/36/39/189043639.db2.gz ADIHALNITRFFRS-LBPRGKRZSA-N 1 0 296.440 2.077 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc[nH]c1C ZINC000177667386 189062387 /nfs/dbraw/zinc/06/23/87/189062387.db2.gz FNIDFJXWMJXRFD-CHWSQXEVSA-N 1 0 261.369 2.022 10 0 CEAERO CCn1cc([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@@H]2O)cn1 ZINC000178359056 189109862 /nfs/dbraw/zinc/10/98/62/189109862.db2.gz LNFJEJGDYHLMBR-UVBJJODRSA-N 1 0 271.364 2.212 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccncc1 ZINC000178929924 189155605 /nfs/dbraw/zinc/15/56/05/189155605.db2.gz SWSMCGXIWFKCLM-OAHLLOKOSA-N 1 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ZINC000002019276 361226763 /nfs/dbraw/zinc/22/67/63/361226763.db2.gz WGYXJBNWUHLUEU-UHFFFAOYSA-N 1 0 254.289 2.328 10 0 CEAERO CCC[C@H]([NH3+])C(=O)NCCc1ccccc1Cl ZINC000152465703 366699146 /nfs/dbraw/zinc/69/91/46/366699146.db2.gz ZRGHINZJFXZVMD-LBPRGKRZSA-N 1 0 254.761 2.126 10 0 CEAERO C[C@@H](CCC(C)(C)C)NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000153834768 366739398 /nfs/dbraw/zinc/73/93/98/366739398.db2.gz GMSPZPDGSSZUQU-KBPBESRZSA-N 1 0 299.459 2.173 10 0 CEAERO C[NH+](C)CCNc1ncnc2c3ccccc3[nH]c21 ZINC000005144317 361330045 /nfs/dbraw/zinc/33/00/45/361330045.db2.gz KZFHGBQJNVSGMS-UHFFFAOYSA-N 1 0 255.325 2.085 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)Cc1ncc(C)c(OC)c1C ZINC000182100665 189314163 /nfs/dbraw/zinc/31/41/63/189314163.db2.gz PGQFHVYIGAOTAD-IINYFYTJSA-N 1 0 293.411 2.039 10 0 CEAERO O[C@@H](CCc1ccccc1)C[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000182525825 189326528 /nfs/dbraw/zinc/32/65/28/189326528.db2.gz UPVPUUNTPLKWQS-MSOLQXFVSA-N 1 0 288.435 2.150 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@H](C)c1cccc(F)c1F ZINC000182921256 189339587 /nfs/dbraw/zinc/33/95/87/189339587.db2.gz TXTPJFRGTPMIFQ-KCJUWKMLSA-N 1 0 256.296 2.269 10 0 CEAERO O[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000154686156 366784805 /nfs/dbraw/zinc/78/48/05/366784805.db2.gz SNQMGVCZJQNXQZ-WMZOPIPTSA-N 1 0 298.386 2.138 10 0 CEAERO C[C@@H]1CC[C@@H](C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)O1 ZINC000155078793 366806643 /nfs/dbraw/zinc/80/66/43/366806643.db2.gz XSPBIZSLOITKGX-KNIAUWFNSA-N 1 0 294.439 2.277 10 0 CEAERO C[C@@H]1CC[C@@H](C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)O1 ZINC000155793526 366822380 /nfs/dbraw/zinc/82/23/80/366822380.db2.gz VDYSAJODZVQONM-ILXRZTDVSA-N 1 0 280.412 2.031 10 0 CEAERO [NH3+][C@@H]1CCOc2c(I)cccc21 ZINC000016082983 361483327 /nfs/dbraw/zinc/48/33/27/361483327.db2.gz HSIABZSZVHCIEE-MRVPVSSYSA-N 1 0 275.089 2.074 10 0 CEAERO CCO[C@H]1C[C@H](NC(=[NH2+])NC2CCCC2)C12CCOCC2 ZINC000184596040 189389957 /nfs/dbraw/zinc/38/99/57/189389957.db2.gz QVJSOBYGRMMOHF-KBPBESRZSA-N 1 0 295.427 2.017 10 0 CEAERO COC(=O)c1ccc(N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)nc1C ZINC000301975084 201282865 /nfs/dbraw/zinc/28/28/65/201282865.db2.gz VQZVTBKBAPIMPD-BXUZGUMPSA-N 1 0 291.395 2.317 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H](c2cccc(Br)c2)O1 ZINC000032108962 361727359 /nfs/dbraw/zinc/72/73/59/361727359.db2.gz QBQFLRSLORLINS-KWQFWETISA-N 1 0 256.143 2.499 10 0 CEAERO CC(C)c1nsc(N[C@H](C)[C@@H]2CCC[NH2+]C2)n1 ZINC000087642482 363865127 /nfs/dbraw/zinc/86/51/27/363865127.db2.gz MYJJFCFGFVLEFG-NXEZZACHSA-N 1 0 254.403 2.462 10 0 CEAERO C[C@@H]1CC[C@H](C)N(C(=O)[C@H]([NH3+])Cc2ccccc2)C1 ZINC000088705329 363913935 /nfs/dbraw/zinc/91/39/35/363913935.db2.gz FNXYMEVTXLSFKJ-VNHYZAJKSA-N 1 0 260.381 2.203 10 0 CEAERO CC(C)(C)OC(=O)NC[C@@H]([NH3+])c1cnc2cc[nH]c2c1 ZINC000089221491 363949884 /nfs/dbraw/zinc/94/98/84/363949884.db2.gz DSYOJAHJFWJLKE-SNVBAGLBSA-N 1 0 276.340 2.087 10 0 CEAERO CCOC(=O)c1ccc(N[C@H]2CCCC[C@H]2C[NH3+])nc1 ZINC000089108804 363931998 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ZINC000638757213 370727810 /nfs/dbraw/zinc/72/78/10/370727810.db2.gz UWCRLQNUTRCQCF-CYBMUJFWSA-N 1 0 250.386 2.311 10 0 CEAERO Cc1c(CNCCC[N@H+](C)C2CCCCC2)cnn1C ZINC000093650097 364209839 /nfs/dbraw/zinc/20/98/39/364209839.db2.gz WBXNBRUKYJHYSO-UHFFFAOYSA-N 1 0 278.444 2.473 10 0 CEAERO O=C(CCCN1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000094462617 364275541 /nfs/dbraw/zinc/27/55/41/364275541.db2.gz TVQQCEJKCJURCU-MRXNPFEDSA-N 1 0 272.392 2.430 10 0 CEAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CCc1cscn1 ZINC000094434714 364272932 /nfs/dbraw/zinc/27/29/32/364272932.db2.gz CELKJNYRYSLZAN-GXTWGEPZSA-N 1 0 265.426 2.244 10 0 CEAERO Clc1cc(OCCC[C@H]2CCC[NH2+]C2)ncn1 ZINC000095069830 364330054 /nfs/dbraw/zinc/33/00/54/364330054.db2.gz PRLAFADMUHUTGJ-SNVBAGLBSA-N 1 0 255.749 2.289 10 0 CEAERO Clc1nccc(COCC[C@H]2CCCC[NH2+]2)n1 ZINC000095070315 364330176 /nfs/dbraw/zinc/33/01/76/364330176.db2.gz PGAAQEQWQKYOJK-SNVBAGLBSA-N 1 0 255.749 2.179 10 0 CEAERO CN(CC(=O)c1cccs1)C[C@H]1CCCC[NH2+]1 ZINC000095070857 364331337 /nfs/dbraw/zinc/33/13/37/364331337.db2.gz MAPUAFFFGCRRGI-LLVKDONJSA-N 1 0 252.383 2.005 10 0 CEAERO CN(Cc1ccnc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000095070715 364331378 /nfs/dbraw/zinc/33/13/78/364331378.db2.gz XRTSIVXWDBGDHE-NSHDSACASA-N 1 0 284.201 2.028 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1NCc1cnc(Cl)nc1Cl ZINC000095072294 364332231 /nfs/dbraw/zinc/33/22/31/364332231.db2.gz MAIYHRUBZZNRPA-BDAKNGLRSA-N 1 0 275.183 2.143 10 0 CEAERO [NH3+]C[C@H]1CCCN(Cc2ccnc(Br)c2)C1 ZINC000095072559 364332260 /nfs/dbraw/zinc/33/22/60/364332260.db2.gz RCZTWVCNJKWONX-LLVKDONJSA-N 1 0 284.201 2.015 10 0 CEAERO COc1nc2ccccc2nc1N(C)C[C@H]1CCC[NH2+]C1 ZINC000095071672 364332353 /nfs/dbraw/zinc/33/23/53/364332353.db2.gz DPAQDWCIQAPPMQ-LBPRGKRZSA-N 1 0 286.379 2.074 10 0 CEAERO CSc1nc(Cl)cc(N2CCC[C@@H](C[NH3+])C2)n1 ZINC000095071754 364332448 /nfs/dbraw/zinc/33/24/48/364332448.db2.gz YDTLJGPBXABCEF-QMMMGPOBSA-N 1 0 272.805 2.027 10 0 CEAERO O=C(COCCC[C@@H]1CCCC[NH2+]1)c1ccco1 ZINC000095072943 364333098 /nfs/dbraw/zinc/33/30/98/364333098.db2.gz UQFHNDGOBGWKAZ-LBPRGKRZSA-N 1 0 251.326 2.401 10 0 CEAERO c1ccc2nc(NC3CC3)c(NC[C@@H]3CC[NH2+]C3)nc2c1 ZINC000095092608 364338826 /nfs/dbraw/zinc/33/88/26/364338826.db2.gz PTDVYWAPYUNAMJ-LLVKDONJSA-N 1 0 283.379 2.226 10 0 CEAERO O=C(C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)N1CCCCC1 ZINC000303041200 283760543 /nfs/dbraw/zinc/76/05/43/283760543.db2.gz OEJKJIGYCDPBED-HOTGVXAUSA-N 1 0 294.439 2.014 10 0 CEAERO Fc1ccccc1-c1csc(N[C@H]2CC[NH2+]C2)n1 ZINC000334978852 364301987 /nfs/dbraw/zinc/30/19/87/364301987.db2.gz BVDCEMCGESFWSG-VIFPVBQESA-N 1 0 263.341 2.145 10 0 CEAERO CCCCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccccc1C ZINC000102683904 364606120 /nfs/dbraw/zinc/60/61/20/364606120.db2.gz QUJUXGTVOXBKBM-ZDUSSCGKSA-N 1 0 291.395 2.272 10 0 CEAERO CC(C)[C@H](C)NC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000103507586 364662473 /nfs/dbraw/zinc/66/24/73/364662473.db2.gz YMBCFGXTGVKLEE-LBPRGKRZSA-N 1 0 255.406 2.014 10 0 CEAERO CCn1cc(CN[C@@H](C[NH+](C)C)c2ccccc2)cn1 ZINC000112095800 364773781 /nfs/dbraw/zinc/77/37/81/364773781.db2.gz PNHLVVFDTFJYKM-INIZCTEOSA-N 1 0 272.396 2.296 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1ccccc1O ZINC000113226144 364876864 /nfs/dbraw/zinc/87/68/64/364876864.db2.gz OSWPWYIUQATXPU-UKRRQHHQSA-N 1 0 288.391 2.020 10 0 CEAERO CSc1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)o1 ZINC000113231210 364878809 /nfs/dbraw/zinc/87/88/09/364878809.db2.gz BRDVGCCXTVGUPX-GHMZBOCLSA-N 1 0 280.393 2.310 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1csc(C2CC2)n1 ZINC000113232854 364879368 /nfs/dbraw/zinc/87/93/68/364879368.db2.gz GEPFJSZBEWOPHS-CMPLNLGQSA-N 1 0 291.420 2.329 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc(-c2ccccc2)no1 ZINC000113271933 364882555 /nfs/dbraw/zinc/88/25/55/364882555.db2.gz JDZSAMYJKPRQQI-DZGCQCFKSA-N 1 0 298.390 2.405 10 0 CEAERO COc1cccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000113367344 364890460 /nfs/dbraw/zinc/89/04/60/364890460.db2.gz PACMQXUPUNHXDG-GXTWGEPZSA-N 1 0 289.379 2.396 10 0 CEAERO CCCCOCCCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113577696 364905337 /nfs/dbraw/zinc/90/53/37/364905337.db2.gz ROGKEEHERNMAPO-GJZGRUSLSA-N 1 0 297.443 2.071 10 0 CEAERO Cc1ncccc1CN1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000335729311 364896451 /nfs/dbraw/zinc/89/64/51/364896451.db2.gz BTNOFHSCEDMOKW-BBRMVZONSA-N 1 0 259.397 2.449 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CCC(c2nccs2)CC1 ZINC000335600582 212313212 /nfs/dbraw/zinc/31/32/12/212313212.db2.gz LXYFOKZWHDZXHK-YPMHNXCESA-N 1 0 293.436 2.237 10 0 CEAERO [NH3+]C[C@@H]1CC[C@H](Nc2ccc(Br)cn2)C1 ZINC000335582654 212295071 /nfs/dbraw/zinc/29/50/71/212295071.db2.gz RFEXGLPRVVOCKC-SCZZXKLOSA-N 1 0 270.174 2.383 10 0 CEAERO CCC[C@H](C)[C@@H](CC)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000180584422 283836641 /nfs/dbraw/zinc/83/66/41/283836641.db2.gz NLMGGRUCFOOPPT-YNEHKIRRSA-N 1 0 250.390 2.397 10 0 CEAERO CC(C)[N@H+](C)CC(=O)N1CCC[C@H]1c1ccco1 ZINC000116211438 365044243 /nfs/dbraw/zinc/04/42/43/365044243.db2.gz CEMAYXFEXSYZKK-LBPRGKRZSA-N 1 0 250.342 2.283 10 0 CEAERO COc1ccc(CC[N@@H+]2CC[C@H](c3cnn(C)c3)C2)cc1 ZINC000116316441 365049977 /nfs/dbraw/zinc/04/99/77/365049977.db2.gz KWDXNGGVIKDBPY-HNNXBMFYSA-N 1 0 285.391 2.461 10 0 CEAERO CC[C@@H]1CN(C(=O)c2ccc(C)s2)CCN1CCOC ZINC000117300004 365101274 /nfs/dbraw/zinc/10/12/74/365101274.db2.gz RLABTGBJHMJGGF-CYBMUJFWSA-N 1 0 296.436 2.239 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCS[C@H](C)[C@@H]2C)C1 ZINC000118571436 365164484 /nfs/dbraw/zinc/16/44/84/365164484.db2.gz QHXMEWHOIADAFN-XQQFMLRXSA-N 1 0 285.457 2.006 10 0 CEAERO C[C@H]1CC[C@@H](C(=O)NC2CC[NH+](C3CCCC3)CC2)O1 ZINC000119394250 365267494 /nfs/dbraw/zinc/26/74/94/365267494.db2.gz HLIJIHGYIOLRBN-WFASDCNBSA-N 1 0 280.412 2.077 10 0 CEAERO CC[C@](C)(O)C[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000119491972 365281200 /nfs/dbraw/zinc/28/12/00/365281200.db2.gz JFNGNZNTDNQWNT-SJORKVTESA-N 1 0 277.408 2.481 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000042167650 283859159 /nfs/dbraw/zinc/85/91/59/283859159.db2.gz 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C[C@H](NC(=O)C1CCC(C[NH3+])CC1)c1cccnc1 ZINC000093424838 184673931 /nfs/dbraw/zinc/67/39/31/184673931.db2.gz LQQZHNUMSYXGKF-HIFPTAJRSA-N 1 0 261.369 2.024 10 0 CEAERO CCOC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1[C@@H]1CCCCC1=O ZINC000093470337 184680351 /nfs/dbraw/zinc/68/03/51/184680351.db2.gz RBCRHYAQBLWRIX-RWMBFGLXSA-N 1 0 267.369 2.162 10 0 CEAERO CCC[NH2+][C@H]1CCCCCC[C@@H]1S(=O)(=O)CCOC ZINC000081943814 177906222 /nfs/dbraw/zinc/90/62/22/177906222.db2.gz ICZJEFCAAWIJLZ-KBPBESRZSA-N 1 0 291.457 2.139 10 0 CEAERO CCC[NH2+][C@@H](CC)CS(=O)(=O)c1cccc(OC)c1 ZINC000081923532 177897467 /nfs/dbraw/zinc/89/74/67/177897467.db2.gz XJNAHDKXGVOYTK-LBPRGKRZSA-N 1 0 285.409 2.247 10 0 CEAERO CCC[NH2+][C@H](CC)[C@H](C)Sc1nnc(C)n1C ZINC000081886571 177878564 /nfs/dbraw/zinc/87/85/64/177878564.db2.gz UJPFMYJLCKNDQF-GXSJLCMTSA-N 1 0 256.419 2.382 10 0 CEAERO CC(C)[C@@H]1CC[C@H]([NH3+])[C@H](Sc2n[nH]c(=O)n2C2CC2)C1 ZINC000081880089 177874281 /nfs/dbraw/zinc/87/42/81/177874281.db2.gz HNMOTSGKEKBZMZ-ADEWGFFLSA-N 1 0 296.440 2.150 10 0 CEAERO CCCn1c(=O)[nH]nc1S[C@H]1CCCCCC[C@H]1[NH2+]C ZINC000081879138 177872860 /nfs/dbraw/zinc/87/28/60/177872860.db2.gz SOZWZCNGONLDDV-NEPJUHHUSA-N 1 0 298.456 2.384 10 0 CEAERO CCCn1c(S[C@H](C)[C@@H]([NH3+])c2ccccc2)n[nH]c1=O ZINC000081879261 177872772 /nfs/dbraw/zinc/87/27/72/177872772.db2.gz YCCZMIKSXWSZED-ZYHUDNBSSA-N 1 0 292.408 2.162 10 0 CEAERO C[NH2+][C@H]1CCOC[C@H]1Sc1ncnc2ccccc21 ZINC000081876273 177870816 /nfs/dbraw/zinc/87/08/16/177870816.db2.gz DKWZQDZWTPXSEV-QWHCGFSZSA-N 1 0 275.377 2.099 10 0 CEAERO COC(=O)CSC[C@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000081793670 177861324 /nfs/dbraw/zinc/86/13/24/177861324.db2.gz JCDQPRMDEUUNCK-MFORYBBRSA-N 1 0 283.437 2.436 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1Sc1nnnn1-c1ccccc1 ZINC000081869141 177868857 /nfs/dbraw/zinc/86/88/57/177868857.db2.gz LMFFHJXAECCZKQ-NWDGAFQWSA-N 1 0 275.381 2.024 10 0 CEAERO C[NH2+][C@H]1CCOC[C@H]1Sc1nc2ccccc2o1 ZINC000081868918 177868911 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CC[C@]1(C)CO[C@@H](c2nc3ccccc3n2C)C[NH2+]1 ZINC000080884784 177722676 /nfs/dbraw/zinc/72/26/76/177722676.db2.gz RZARSJJBAZUKGM-UKRRQHHQSA-N 1 0 259.353 2.403 10 0 CEAERO CC[NH2+]Cc1cccc2c1ccn2Cc1noc(C)n1 ZINC000080336368 177643450 /nfs/dbraw/zinc/64/34/50/177643450.db2.gz ZGQNIIDBPZRHLY-UHFFFAOYSA-N 1 0 270.336 2.491 10 0 CEAERO CC[NH2+][C@@H]1CCCN([C@H](C)c2nc(C)cs2)C1=O ZINC000080331627 177642719 /nfs/dbraw/zinc/64/27/19/177642719.db2.gz PWEPVAFZOLVWJQ-GHMZBOCLSA-N 1 0 267.398 2.113 10 0 CEAERO O[C@H](C[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O)CC(F)(F)F ZINC000307935582 285350185 /nfs/dbraw/zinc/35/01/85/285350185.db2.gz LLRKZLZZNSFZJX-UMSGYPCISA-N 1 0 295.345 2.315 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@](C)(O)C2CC2)c1C ZINC000336817436 288756630 /nfs/dbraw/zinc/75/66/30/288756630.db2.gz QIDKLMYFTFEHPF-BONVTDFDSA-N 1 0 265.401 2.331 10 0 CEAERO Cc1ccc(O[C@H]2CC[C@@]([NH2+]C3CC3)(C(N)=O)C2)c(C)c1 ZINC000093836802 184730093 /nfs/dbraw/zinc/73/00/93/184730093.db2.gz SSLLPJNSBAAXHK-YOEHRIQHSA-N 1 0 288.391 2.211 10 0 CEAERO CCC[NH2+][C@H](COC(C)C)C1(N2CCOCC2)CCCC1 ZINC000093550415 184689045 /nfs/dbraw/zinc/68/90/45/184689045.db2.gz XOKCPKPGWXCOET-MRXNPFEDSA-N 1 0 298.471 2.425 10 0 CEAERO CCC[NH2+][C@H]1CCC[C@@H]1CCn1c(C)nc(C)cc1=O ZINC000093557576 184690634 /nfs/dbraw/zinc/69/06/34/184690634.db2.gz PTKLIPJXISZIGJ-CABCVRRESA-N 1 0 277.412 2.419 10 0 CEAERO CCC[NH2+][C@@H]1CCC[C@H]1CCSCC(=O)OC ZINC000093578039 184691741 /nfs/dbraw/zinc/69/17/41/184691741.db2.gz AMSFZUCTYUPUJH-NWDGAFQWSA-N 1 0 259.415 2.451 10 0 CEAERO CCOC(=O)[C@]1(NC)CCC[C@H]1CC[NH+](CC)CC ZINC000093583487 184692816 /nfs/dbraw/zinc/69/28/16/184692816.db2.gz DWLRNHCXHMIGJD-ZFWWWQNUSA-N 1 0 270.417 2.040 10 0 CEAERO C[NH2+][C@]1(C(N)=O)CCC[C@H]1CCN(C)c1ccccc1C ZINC000093592738 184694118 /nfs/dbraw/zinc/69/41/18/184694118.db2.gz YHVRDDQMALNYNJ-WMLDXEAASA-N 1 0 289.423 2.065 10 0 CEAERO Cc1nc2ccccc2n1CC[C@@H]1CCC[C@@]1([NH3+])CO ZINC000093618627 184696816 /nfs/dbraw/zinc/69/68/16/184696816.db2.gz RSVILJFIQFOVER-XJKSGUPXSA-N 1 0 273.380 2.225 10 0 CEAERO Cc1nn(CC[C@H]2CCC[C@]2(CO)[NH2+]C2CC2)c(C)c1C ZINC000093618912 184697050 /nfs/dbraw/zinc/69/70/50/184697050.db2.gz JKBAVYKXCLLIEM-NVXWUHKLSA-N 1 0 291.439 2.482 10 0 CEAERO CC(C)COCC[C@@H]1CCC[C@@]1(CO)[NH2+]C1CC1 ZINC000093620453 184697115 /nfs/dbraw/zinc/69/71/15/184697115.db2.gz CZAUDEOHFFSCEX-ZFWWWQNUSA-N 1 0 255.402 2.332 10 0 CEAERO C[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCOc1cc(C)ccc1F ZINC000093626125 184698332 /nfs/dbraw/zinc/69/83/32/184698332.db2.gz YDQUEBLZLCVZFB-MLGOLLRUSA-N 1 0 294.370 2.147 10 0 CEAERO Cc1nn(CC[C@H]2CCC[C@@]2(O)C[NH3+])c(C)c1Cl ZINC000093627296 184698651 /nfs/dbraw/zinc/69/86/51/184698651.db2.gz GJMWSIAIDANIIL-DGCLKSJQSA-N 1 0 271.792 2.033 10 0 CEAERO [NH3+]C[C@@]1(O)CCC[C@H]1CCOc1ccc(F)cc1 ZINC000093628073 184698745 /nfs/dbraw/zinc/69/87/45/184698745.db2.gz RCAYOTPVEUJZAK-FZMZJTMJSA-N 1 0 253.317 2.085 10 0 CEAERO [NH3+]C[C@@]1(O)CCC[C@@H]1CCOc1cccc(F)c1F ZINC000093627474 184698805 /nfs/dbraw/zinc/69/88/05/184698805.db2.gz TVTCLWDGTWVTTQ-YGRLFVJLSA-N 1 0 271.307 2.224 10 0 CEAERO Cc1csc(SCC[C@H]2CCC[C@@]2(O)C[NH3+])n1 ZINC000093628455 184699045 /nfs/dbraw/zinc/69/90/45/184699045.db2.gz VSXLCECWDKKBGL-ZYHUDNBSSA-N 1 0 272.439 2.424 10 0 CEAERO CC[NH+](CC)[C@@H]1CCN(c2ccc([C@@H](C)O)c(O)c2)C1 ZINC000093672607 184704169 /nfs/dbraw/zinc/70/41/69/184704169.db2.gz WDINGMDBAUAJMQ-TZMCWYRMSA-N 1 0 278.396 2.366 10 0 CEAERO CCC[C@@]1(c2nc([C@@H](C)OC)no2)CCC[NH2+]C1 ZINC000093689275 184706571 /nfs/dbraw/zinc/70/65/71/184706571.db2.gz MPBXUAIFHPZQEX-ZWNOBZJWSA-N 1 0 253.346 2.198 10 0 CEAERO COC(=O)[C@]1(NC(C)C)CCC[C@H]([NH+]2CCCCC2)C1 ZINC000093749059 184713355 /nfs/dbraw/zinc/71/33/55/184713355.db2.gz QFVORCDLPCAVGA-HOCLYGCPSA-N 1 0 282.428 2.325 10 0 CEAERO COc1ccccc1S[C@@H]1CCC[C@]([NH3+])(CO)C1 ZINC000093786985 184721959 /nfs/dbraw/zinc/72/19/59/184721959.db2.gz FQXXEXCLXQDENN-BXUZGUMPSA-N 1 0 267.394 2.420 10 0 CEAERO Cc1occc1C(=O)NC1C(C)(C)C([NH3+])C1(C)C ZINC000094006198 184749955 /nfs/dbraw/zinc/74/99/55/184749955.db2.gz BFLLBUBBYIXXSY-UHFFFAOYSA-N 1 0 250.342 2.080 10 0 CEAERO C[C@@H](CC[NH3+])CCc1nc(-c2ccc(F)cn2)no1 ZINC000094043922 184751924 /nfs/dbraw/zinc/75/19/24/184751924.db2.gz AFTVWVNSMWPQRQ-SECBINFHSA-N 1 0 264.304 2.188 10 0 CEAERO COc1ccc(N[C@@H]2CC[NH2+]C2)c(C(F)(F)F)c1 ZINC000094077670 184753996 /nfs/dbraw/zinc/75/39/96/184753996.db2.gz PUGFWELQMVMCAO-MRVPVSSYSA-N 1 0 260.259 2.488 10 0 CEAERO CCC[NH+]1CCC(O)(Cc2ccc(CC)cn2)CC1 ZINC000094110762 184755268 /nfs/dbraw/zinc/75/52/68/184755268.db2.gz SYWDKKHKMUTXAB-UHFFFAOYSA-N 1 0 262.397 2.423 10 0 CEAERO CC[NH+](CC)CCCNC(=O)c1c(F)ccc(N)c1F ZINC000094189116 184760620 /nfs/dbraw/zinc/76/06/20/184760620.db2.gz NYUZQXWKLLDRBH-UHFFFAOYSA-N 1 0 285.338 2.009 10 0 CEAERO C[C@H]([NH3+])Cc1noc(-c2ccc(F)c(F)c2F)n1 ZINC000094185696 184760627 /nfs/dbraw/zinc/76/06/27/184760627.db2.gz UJIQWXMSJMICDC-YFKPBYRVSA-N 1 0 257.215 2.044 10 0 CEAERO C[C@H]([NH3+])Cc1ccc(OCc2cn3ccccc3n2)cn1 ZINC000094215588 184763561 /nfs/dbraw/zinc/76/35/61/184763561.db2.gz UHXZGLKWGNPROA-LBPRGKRZSA-N 1 0 282.347 2.198 10 0 CEAERO CCc1cc(COc2ccc(C[C@H]([NH3+])CC)nc2)n(C)n1 ZINC000094216317 184764131 /nfs/dbraw/zinc/76/41/31/184764131.db2.gz LFXCNZVQIUHSSX-GFCCVEGCSA-N 1 0 288.395 2.236 10 0 CEAERO CCOC(=O)c1cc(C)sc1NC(=O)[C@@](C)([NH3+])CC ZINC000094238186 184767927 /nfs/dbraw/zinc/76/79/27/184767927.db2.gz CVKQUJOFMLQBHM-ZDUSSCGKSA-N 1 0 284.381 2.299 10 0 CEAERO CC[NH2+][C@H]1[C@@H](SCCS(C)(=O)=O)CCCC1(C)C ZINC000094282890 184775394 /nfs/dbraw/zinc/77/53/94/184775394.db2.gz TVZOGELSQQCLTJ-RYUDHWBXSA-N 1 0 293.498 2.321 10 0 CEAERO CCC[NH2+][C@H](C)c1ccccc1N(C)CCS(C)(=O)=O ZINC000094298858 184777784 /nfs/dbraw/zinc/77/77/84/184777784.db2.gz WYVCTWQLRJUXQN-CYBMUJFWSA-N 1 0 298.452 2.228 10 0 CEAERO CC[NH2+][C@@H]1[C@@H](SCCC(=O)OC)CCC1(C)C ZINC000094312654 184778927 /nfs/dbraw/zinc/77/89/27/184778927.db2.gz FRMDPGQJTBZWEI-CMPLNLGQSA-N 1 0 259.415 2.449 10 0 CEAERO CCc1cc(C[C@@]2(C[NH3+])CCC(C)(C)[C@H]2O)n(CC)n1 ZINC000094314770 184779704 /nfs/dbraw/zinc/77/97/04/184779704.db2.gz XRDZAFWVAKNIPL-GDBMZVCRSA-N 1 0 279.428 2.134 10 0 CEAERO CC[C@@]1(C(=O)N[C@@H]2CCCCC2(C)C)CC[NH2+]C1 ZINC000094328018 184781579 /nfs/dbraw/zinc/78/15/79/184781579.db2.gz MANRJACQEWNMSI-IUODEOHRSA-N 1 0 252.402 2.461 10 0 CEAERO CC[C@H]([NH3+])Cc1cc(F)c(O[C@@H]2CCOC2)c(F)c1 ZINC000094350452 184786869 /nfs/dbraw/zinc/78/68/69/184786869.db2.gz DFZYBILUSBQDQF-WDEREUQCSA-N 1 0 271.307 2.412 10 0 CEAERO Nc1ccc2oc(N3CC[C@H]([NH+]4CCCC4)C3)nc2c1 ZINC000094352332 184787468 /nfs/dbraw/zinc/78/74/68/184787468.db2.gz AGLPUPFWNBKBJV-LBPRGKRZSA-N 1 0 272.352 2.085 10 0 CEAERO C(O[C@@H]1CCO[C@]2(CCSC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000094380850 184791815 /nfs/dbraw/zinc/79/18/15/184791815.db2.gz SJTDMXVFYXMIEM-MGPQQGTHSA-N 1 0 271.426 2.057 10 0 CEAERO CCN(C1C[NH2+]C1)[C@H]1CCOC2(CCCCC2)C1 ZINC000094384536 184791916 /nfs/dbraw/zinc/79/19/16/184791916.db2.gz ROLXORQTDKYCTJ-ZDUSSCGKSA-N 1 0 252.402 2.162 10 0 CEAERO COCCC[C@H]([NH3+])[C@H]1CCOC2(CCSCC2)C1 ZINC000094403921 184793596 /nfs/dbraw/zinc/79/35/96/184793596.db2.gz NWZZJFDKSSDIAP-STQMWFEESA-N 1 0 273.442 2.433 10 0 CEAERO CCOC(OCC)[C@H]([NH3+])[C@H]1CCOC2(CCC2)C1 ZINC000094407987 184793993 /nfs/dbraw/zinc/79/39/93/184793993.db2.gz JPIOAGMMPOQUDF-NWDGAFQWSA-N 1 0 257.374 2.062 10 0 CEAERO C([C@@H]1CCOC2(CCOCC2)C1)[C@H]1CCCC[NH2+]1 ZINC000094411453 184794390 /nfs/dbraw/zinc/79/43/90/184794390.db2.gz GUSSRKUNJLSSIO-UONOGXRCSA-N 1 0 253.386 2.494 10 0 CEAERO CC[C@@H]([NH3+])Cc1cnn([C@H]2CCOC3(CCC3)C2)c1 ZINC000094413271 184794536 /nfs/dbraw/zinc/79/45/36/184794536.db2.gz HRRNFQCTCKLLBE-KGLIPLIRSA-N 1 0 263.385 2.437 10 0 CEAERO OC[C@@H]1CCCC[N@@H+]1[C@@H]1CCOC2(CCCC2)C1 ZINC000094410838 184794764 /nfs/dbraw/zinc/79/47/64/184794764.db2.gz WGEJWHMILOWVCW-KGLIPLIRSA-N 1 0 253.386 2.325 10 0 CEAERO C(=C/[C@@H]1CCO[C@@]2(CCOC2)C1)\CC[NH2+]C1CC1 ZINC000094419414 184794911 /nfs/dbraw/zinc/79/49/11/184794911.db2.gz CIECGPWTOTWLRD-PNTBWUNLSA-N 1 0 251.370 2.270 10 0 CEAERO CC(C)(C)[NH2+]C[C@@H](O)[C@@H]1CCOC2(CCSCC2)C1 ZINC000094418523 184795224 /nfs/dbraw/zinc/79/52/24/184795224.db2.gz JBESDNNOYFVYII-CHWSQXEVSA-N 1 0 287.469 2.428 10 0 CEAERO CN(Cc1cscn1)[C@@]1(C[NH3+])CC(C)(C)OC1(C)C ZINC000094425020 184795525 /nfs/dbraw/zinc/79/55/25/184795525.db2.gz KHQIRODYMRGGLV-CQSZACIVSA-N 1 0 283.441 2.250 10 0 CEAERO COCCN1C[C@@](C)(C2CC2)[NH2+]Cc2ccccc21 ZINC000094421108 184795933 /nfs/dbraw/zinc/79/59/33/184795933.db2.gz ZQGUJUBBOHKXRO-INIZCTEOSA-N 1 0 260.381 2.411 10 0 CEAERO [NH3+][C@H]1CCCCC[C@H]1C(=O)NCc1cc(F)ccc1F ZINC000094753902 184852858 /nfs/dbraw/zinc/85/28/58/184852858.db2.gz GKKDCJUFVFFYDU-OCCSQVGLSA-N 1 0 282.334 2.489 10 0 CEAERO C[NH2+]Cc1ccc(COc2ccc3c(c2)OCO3)nc1 ZINC000094760196 184855038 /nfs/dbraw/zinc/85/50/38/184855038.db2.gz ZCPHTTHPINUYRE-UHFFFAOYSA-N 1 0 272.304 2.109 10 0 CEAERO CCn1nc(C[C@@H]([NH3+])[C@]2(C)CCCO2)c2ccccc21 ZINC000094782838 184862847 /nfs/dbraw/zinc/86/28/47/184862847.db2.gz WSGOJMOFRFFFCI-CVEARBPZSA-N 1 0 273.380 2.495 10 0 CEAERO C[NH2+][C@H](Cc1nc([C@@]2(C)CCCO2)no1)C(C)(C)C ZINC000094785962 184864094 /nfs/dbraw/zinc/86/40/94/184864094.db2.gz XFQGLYWFVPBAFS-QMTHXVAHSA-N 1 0 267.373 2.272 10 0 CEAERO C[C@H]([NH3+])c1cccc(NC(=O)NC[C@@]2(C)CCCO2)c1 ZINC000094808820 184871219 /nfs/dbraw/zinc/87/12/19/184871219.db2.gz MEZXSYLLXQYKFD-XHDPSFHLSA-N 1 0 277.368 2.397 10 0 CEAERO CC1(C)CCN(c2nc3sccn3c2CC[NH3+])C1 ZINC000094813378 184872879 /nfs/dbraw/zinc/87/28/79/184872879.db2.gz FJGPXHFYUHEAER-UHFFFAOYSA-N 1 0 264.398 2.133 10 0 CEAERO COc1cccc(C[C@H]([NH3+])[C@@H]2CSCCS2)c1 ZINC000094497089 184810372 /nfs/dbraw/zinc/81/03/72/184810372.db2.gz BAPUWUMREOENFS-STQMWFEESA-N 1 0 269.435 2.414 10 0 CEAERO CC[C@H]([NH3+])Cc1ccnc([C@H]2CSCCS2)n1 ZINC000094500130 184810525 /nfs/dbraw/zinc/81/05/25/184810525.db2.gz BNXYXEMPHIMTFP-GXSJLCMTSA-N 1 0 269.439 2.278 10 0 CEAERO CC[NH2+]C[C@@H](C)c1nc([C@H]2CSCCS2)no1 ZINC000094495985 184810806 /nfs/dbraw/zinc/81/08/06/184810806.db2.gz SQOZUQVQVOYJQS-RKDXNWHRSA-N 1 0 273.427 2.304 10 0 CEAERO COc1ccc(C)cc1C[C@@H]([NH3+])[C@@H]1CSCCO1 ZINC000094502227 184810939 /nfs/dbraw/zinc/81/09/39/184810939.db2.gz SOGMNVCGYUKXAJ-OCCSQVGLSA-N 1 0 267.394 2.005 10 0 CEAERO CC[NH2+][C@@H](Cc1cc(CC)nn1CC)[C@H]1CSCCO1 ZINC000094503991 184811421 /nfs/dbraw/zinc/81/14/21/184811421.db2.gz CSOZMERVJRLCJG-LSDHHAIUSA-N 1 0 297.468 2.118 10 0 CEAERO C[NH2+]C[C@H]1OCCN(C)[C@@H]1c1ccccc1C1CC1 ZINC000094527040 184813535 /nfs/dbraw/zinc/81/35/35/184813535.db2.gz IQTNHTQJLSYSJH-HZPDHXFCSA-N 1 0 260.381 2.155 10 0 CEAERO CC[NH2+]C[C@@H](C)S(=O)(=O)N(CC(C)C)C1CCCC1 ZINC000094852746 184879940 /nfs/dbraw/zinc/87/99/40/184879940.db2.gz GULIUXVCAILDKK-CYBMUJFWSA-N 1 0 290.473 2.215 10 0 CEAERO C[C@@H]1C[C@@H]([NH3+])CN(C(=O)c2ccc(Cl)cc2)C1 ZINC000094548588 184816188 /nfs/dbraw/zinc/81/61/88/184816188.db2.gz WYQNXOBNLQOYNE-BXKDBHETSA-N 1 0 252.745 2.149 10 0 CEAERO Cc1ccc(NC(=O)CN2C[C@H](C)C[C@H]([NH3+])C2)c(Cl)c1 ZINC000094550925 184817044 /nfs/dbraw/zinc/81/70/44/184817044.db2.gz DIQKCYLQQVCCTI-NEPJUHHUSA-N 1 0 295.814 2.256 10 0 CEAERO [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2cccc(Cl)c2Cl)O1 ZINC000094564844 184818409 /nfs/dbraw/zinc/81/84/09/184818409.db2.gz XDVPYDHZQDHBHK-XCBNKYQSSA-N 1 0 289.162 2.438 10 0 CEAERO [NH3+]C[C@H]1CC[C@H](C(=O)Nc2cccc(Cl)c2Cl)O1 ZINC000094564845 184818489 /nfs/dbraw/zinc/81/84/89/184818489.db2.gz XDVPYDHZQDHBHK-GMSGAONNSA-N 1 0 289.162 2.438 10 0 CEAERO CC(C)(C)[NH2+]CCCS(=O)(=O)c1cccc(F)c1 ZINC000094624933 184829080 /nfs/dbraw/zinc/82/90/80/184829080.db2.gz IVZRDUYUHUJIJW-UHFFFAOYSA-N 1 0 273.373 2.378 10 0 CEAERO CC(C)[NH2+][C@H](CSc1cc2ccccc2[nH]1)C(N)=O ZINC000094630226 184829587 /nfs/dbraw/zinc/82/95/87/184829587.db2.gz WIBQDNWYWLKDBW-GFCCVEGCSA-N 1 0 277.393 2.112 10 0 CEAERO CCC[C@H]([NH2+]CC)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094641795 184832591 /nfs/dbraw/zinc/83/25/91/184832591.db2.gz GWAXFHKYVQGQKQ-AGIUHOORSA-N 1 0 261.431 2.368 10 0 CEAERO COc1cc(OC)cc([C@@H]([NH3+])C[C@@H]2CCCO2)c1 ZINC000094650852 184834763 /nfs/dbraw/zinc/83/47/63/184834763.db2.gz DKOSXIJWMRLTNC-FZMZJTMJSA-N 1 0 251.326 2.273 10 0 CEAERO CC[NH2+]Cc1ccc(O[C@H](C)[C@@H](C)O)c(OCC)c1 ZINC000094652732 184834918 /nfs/dbraw/zinc/83/49/18/184834918.db2.gz CNVBMEBCBHLWRW-VXGBXAGGSA-N 1 0 267.369 2.343 10 0 CEAERO CC(C)[NH2+]Cc1cc2c(cc1O[C@@H](C)[C@H](C)O)OCO2 ZINC000094653157 184835806 /nfs/dbraw/zinc/83/58/06/184835806.db2.gz RDZNGILXTYSMQU-QWRGUYRKSA-N 1 0 281.352 2.061 10 0 CEAERO [NH3+]CCC[C@H]1CCCN1C(=O)Cc1cccc(F)c1F ZINC000094714880 184845512 /nfs/dbraw/zinc/84/55/12/184845512.db2.gz IEOSZDPMWVIUQH-LBPRGKRZSA-N 1 0 282.334 2.237 10 0 CEAERO CCC[C@H]1CN(Cc2nccs2)[C@H](C2CC2)C[NH2+]1 ZINC000094979481 184909831 /nfs/dbraw/zinc/90/98/31/184909831.db2.gz TZXOUSWODGXEIT-STQMWFEESA-N 1 0 265.426 2.496 10 0 CEAERO CCCCCC(C)(C)CNS(=O)(=O)C[C@@H]1CCC[NH2+]1 ZINC000094990636 184911274 /nfs/dbraw/zinc/91/12/74/184911274.db2.gz PPKJBFCMMORHBV-ZDUSSCGKSA-N 1 0 290.473 2.264 10 0 CEAERO O=[S@](C[C@@H]1CC[NH2+]C1)c1nc2ccccc2nc1Cl ZINC000095069784 184930838 /nfs/dbraw/zinc/93/08/38/184930838.db2.gz NTQOQBGTCPXFMI-HOGDKLEQSA-N 1 0 295.795 2.000 10 0 CEAERO Clc1nc2ccccc2nc1OC[C@@H]1CCC[NH2+]1 ZINC000095070468 184932135 /nfs/dbraw/zinc/93/21/35/184932135.db2.gz FGTJKCJESKCLPR-VIFPVBQESA-N 1 0 263.728 2.414 10 0 CEAERO c1cnc2[nH]c(OCCC[C@H]3CCC[NH2+]C3)nc2c1 ZINC000095092560 184942130 /nfs/dbraw/zinc/94/21/30/184942130.db2.gz RCVNHWOWSUAKCZ-LLVKDONJSA-N 1 0 260.341 2.117 10 0 CEAERO C[C@H](C[NH+]1CCCC1)Nc1ncnc2c1CCCC2 ZINC000094872016 184884381 /nfs/dbraw/zinc/88/43/81/184884381.db2.gz GHOLOSDXNLEMRN-GFCCVEGCSA-N 1 0 260.385 2.252 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)NCc1sccc1CC ZINC000094876908 184886604 /nfs/dbraw/zinc/88/66/04/184886604.db2.gz WNBHUWKITIUFHE-UHFFFAOYSA-N 1 0 254.399 2.315 10 0 CEAERO Cc1ccsc1CN1CCC[C@H]([NH2+]C2CC2)C1=O ZINC000094884849 184887251 /nfs/dbraw/zinc/88/72/51/184887251.db2.gz TUCGRRVXVBCACB-LBPRGKRZSA-N 1 0 264.394 2.300 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1Nc1ncnc2c1CCCCC2 ZINC000094888209 184888096 /nfs/dbraw/zinc/88/80/96/184888096.db2.gz GIHLVBUGLXQQMX-WCQYABFASA-N 1 0 260.385 2.285 10 0 CEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1c1ncnc2c1CCCCC2 ZINC000094888247 184888129 /nfs/dbraw/zinc/88/81/29/184888129.db2.gz ALYFBRYTRZUZKA-IVMMDQJWSA-N 1 0 286.423 2.180 10 0 CEAERO [NH3+]CCC[C@@H]1CCCN1c1ncnc2c1CCCCC2 ZINC000094888816 184888683 /nfs/dbraw/zinc/88/86/83/184888683.db2.gz OFAPGWJSGHFBQC-CYBMUJFWSA-N 1 0 274.412 2.453 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)NCc1cc(C)c(F)c(C)c1 ZINC000094894126 184889513 /nfs/dbraw/zinc/88/95/13/184889513.db2.gz OAJZIXVWZCNKBS-ZDUSSCGKSA-N 1 0 266.360 2.434 10 0 CEAERO CC[NH2+][C@H](c1cccc(OCC)c1)[C@@H]1CN(CC)CCO1 ZINC000094933359 184896065 /nfs/dbraw/zinc/89/60/65/184896065.db2.gz NPPFEHFLBJHCPK-DLBZAZTESA-N 1 0 292.423 2.457 10 0 CEAERO O=C(Nc1ccc(-c2ncco2)cc1)C1CC[NH2+]CC1 ZINC000237994210 131072103 /nfs/dbraw/zinc/07/21/03/131072103.db2.gz BAATWGLDAPCPFJ-UHFFFAOYSA-N 1 0 271.320 2.280 10 0 CEAERO CC(=O)c1c(F)cccc1N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000251854114 131131263 /nfs/dbraw/zinc/13/12/63/131131263.db2.gz RTYFPPHCCHRDDX-QMTHXVAHSA-N 1 0 264.344 2.415 10 0 CEAERO CC[C@](C)(C[NH3+])N1CCN(c2ccccc2F)CC1 ZINC000037746558 134848716 /nfs/dbraw/zinc/84/87/16/134848716.db2.gz MTFUBJFBCUUCCC-OAHLLOKOSA-N 1 0 265.376 2.075 10 0 CEAERO C[C@@H]1CN(c2ccccc2OC(F)F)[C@@H](C)C[NH2+]1 ZINC000083415176 135019954 /nfs/dbraw/zinc/01/99/54/135019954.db2.gz CUYDDTQONBXMOE-ZJUUUORDSA-N 1 0 256.296 2.475 10 0 CEAERO CC[C@H]1CN(c2cc(OC)cc(OC)c2)[C@H](C)C[NH2+]1 ZINC000083479432 135023947 /nfs/dbraw/zinc/02/39/47/135023947.db2.gz JFKVNZCTISCWBW-NEPJUHHUSA-N 1 0 264.369 2.281 10 0 CEAERO C[C@]([NH3+])(CO)CCCCN1CCCc2ccccc21 ZINC000085238995 135035452 /nfs/dbraw/zinc/03/54/52/135035452.db2.gz CAUXUVYONHGJIT-MRXNPFEDSA-N 1 0 262.397 2.319 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)N1CCCc2ccccc21 ZINC000085357107 135036625 /nfs/dbraw/zinc/03/66/25/135036625.db2.gz OZKWFFKOKQIOMK-UONOGXRCSA-N 1 0 258.365 2.483 10 0 CEAERO CN(C)c1ccc(N2CC[NH2+][C@](C)(C3CC3)C2)cc1 ZINC000086128224 135039356 /nfs/dbraw/zinc/03/93/56/135039356.db2.gz JOWPIRAEOCZISL-INIZCTEOSA-N 1 0 259.397 2.331 10 0 CEAERO C[N@@H+]1CCC[C@@H](Nc2ccccc2N2CCOCC2)CC1 ZINC000086818060 135048414 /nfs/dbraw/zinc/04/84/14/135048414.db2.gz CFTBTERLDGFEMS-OAHLLOKOSA-N 1 0 289.423 2.419 10 0 CEAERO CN1c2ccc([C@@H]([NH3+])C[C@@H]3CCCO3)cc2CCC1=O ZINC000087215153 135049105 /nfs/dbraw/zinc/04/91/05/135049105.db2.gz XZDVWLAFYRWQFK-KBPBESRZSA-N 1 0 274.364 2.165 10 0 CEAERO Cc1cc(Br)cnc1N1C[C@H](C)C[C@H]([NH3+])C1 ZINC000087043127 135049213 /nfs/dbraw/zinc/04/92/13/135049213.db2.gz APTOEWHUVBAEFP-KCJUWKMLSA-N 1 0 284.201 2.326 10 0 CEAERO [NH3+]Cc1ccc(N2CCC(C(F)(F)F)CC2)nc1 ZINC000088416214 135054084 /nfs/dbraw/zinc/05/40/84/135054084.db2.gz DIDKTDVQWPOZSB-UHFFFAOYSA-N 1 0 259.275 2.319 10 0 CEAERO OC[C@H]1CCC[C@@H]1C[NH2+]C1CCN(c2ccccn2)CC1 ZINC000089490407 135059176 /nfs/dbraw/zinc/05/91/76/135059176.db2.gz XUGIMVFFTAHACC-HUUCEWRRSA-N 1 0 289.423 2.049 10 0 CEAERO CC[NH2+][C@@H]1COC[C@H]1CN1c2ccccc2CC[C@@H]1C ZINC000090493440 135063137 /nfs/dbraw/zinc/06/31/37/135063137.db2.gz ZYCABHDXOGYZSR-NUEKZKHPSA-N 1 0 274.408 2.452 10 0 CEAERO CCOc1cc(N2CCCC[C@@H]2CC[NH2+]C)nc(C)n1 ZINC000090787922 135065533 /nfs/dbraw/zinc/06/55/33/135065533.db2.gz TZBVQMMQDDRIQV-CYBMUJFWSA-N 1 0 278.400 2.152 10 0 CEAERO CCOc1cc(N2C[C@@H](CC)[NH2+]C[C@@H]2CC)nc(C)n1 ZINC000090787931 135065661 /nfs/dbraw/zinc/06/56/61/135065661.db2.gz ZIUCCLKVSPTZKY-OLZOCXBDSA-N 1 0 278.400 2.151 10 0 CEAERO CC[NH2+][C@@H](C)C(C)(C)CN1CCN(c2ccccn2)CC1 ZINC000091402491 135068868 /nfs/dbraw/zinc/06/88/68/135068868.db2.gz VSTCYVCZJRDJKD-HNNXBMFYSA-N 1 0 290.455 2.228 10 0 CEAERO C[NH2+]Cc1cncc(N2CC[C@H]3CCCC[C@@H]3C2)n1 ZINC000091419588 135069298 /nfs/dbraw/zinc/06/92/98/135069298.db2.gz BWPYNQNZMGVURI-CHWSQXEVSA-N 1 0 260.385 2.213 10 0 CEAERO CCC[NH2+]Cc1cncc(N2CCC[C@@H](OCCC)C2)n1 ZINC000091421015 135069350 /nfs/dbraw/zinc/06/93/50/135069350.db2.gz WCSJTSUTCSPWTE-OAHLLOKOSA-N 1 0 292.427 2.372 10 0 CEAERO CCO[C@@H]1CCCN(c2cncc(C[NH2+]CC(C)C)n2)C1 ZINC000091421049 135069433 /nfs/dbraw/zinc/06/94/33/135069433.db2.gz GHGILGYSBSFYHD-OAHLLOKOSA-N 1 0 292.427 2.228 10 0 CEAERO [NH3+]Cc1cncc(N2CCC3(CCCCC3)CC2)n1 ZINC000091421211 135069493 /nfs/dbraw/zinc/06/94/93/135069493.db2.gz UGPAYEGQZIIQQC-UHFFFAOYSA-N 1 0 260.385 2.486 10 0 CEAERO C[C@@H]1CN(c2cncc(C[NH2+]C(C)(C)C)n2)CC(C)(C)O1 ZINC000091420402 135069501 /nfs/dbraw/zinc/06/95/01/135069501.db2.gz PJSBGQNLALMZSH-GFCCVEGCSA-N 1 0 292.427 2.368 10 0 CEAERO CSC1(C[NH3+])CCN(c2cnc3ccccc3n2)CC1 ZINC000091471851 135070672 /nfs/dbraw/zinc/07/06/72/135070672.db2.gz DMCBNHJKOWIKJK-UHFFFAOYSA-N 1 0 288.420 2.291 10 0 CEAERO C[C@H]1Cc2ccccc2N(C[C@@H]2Cc3nc[nH]c3C[NH2+]2)C1 ZINC000092799445 135077466 /nfs/dbraw/zinc/07/74/66/135077466.db2.gz CTJAYLPWBKGVAN-JSGCOSHPSA-N 1 0 282.391 2.123 10 0 CEAERO C[C@H](C[C@@H]1CCC[NH2+]1)Nc1ccccc1N1CCOCC1 ZINC000093463990 135080938 /nfs/dbraw/zinc/08/09/38/135080938.db2.gz WSKVYOGVUFKZDY-CABCVRRESA-N 1 0 289.423 2.466 10 0 CEAERO CC[C@](C)([NH3+])C(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000094231692 135084316 /nfs/dbraw/zinc/08/43/16/135084316.db2.gz XDLLVDFWCKZKAV-HNNXBMFYSA-N 1 0 295.814 2.116 10 0 CEAERO CC[C@@](C)([NH3+])C(=O)N1CCCc2cccc(OC)c21 ZINC000094235745 135084454 /nfs/dbraw/zinc/08/44/54/135084454.db2.gz TWAKJZYRTOBNHO-OAHLLOKOSA-N 1 0 262.353 2.102 10 0 CEAERO CCCCOC[C@H](O)C[NH2+][C@@H]1C[C@H]1c1ccccc1 ZINC000300298207 394454822 /nfs/dbraw/zinc/45/48/22/394454822.db2.gz KWXRCTLNPPNWIT-OWCLPIDISA-N 1 0 263.381 2.310 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]2CN(c3cnc4ccccc4n3)C[C@H]21 ZINC000228551704 394475711 /nfs/dbraw/zinc/47/57/11/394475711.db2.gz QBMNFOGKVGWGIR-YNEHKIRRSA-N 1 0 268.364 2.193 10 0 CEAERO C[C@H]1CN(c2ncc(Br)cc2Cl)C[C@@H]1[NH3+] ZINC000235649322 394483663 /nfs/dbraw/zinc/48/36/63/394483663.db2.gz IIHHLNPDBKOEBH-RCOVLWMOSA-N 1 0 290.592 2.281 10 0 CEAERO C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C[C@@H]1[NH3+] ZINC000235408451 394484326 /nfs/dbraw/zinc/48/43/26/394484326.db2.gz RTBGBXMOAZMTLE-KHMAMNHCSA-N 1 0 264.413 2.399 10 0 CEAERO C[NH+](C)C[C@H](NC(=O)NCC1CCC1)c1ccccc1 ZINC000048217302 394515612 /nfs/dbraw/zinc/51/56/12/394515612.db2.gz WGHJSGUEUPEFKR-HNNXBMFYSA-N 1 0 275.396 2.389 10 0 CEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCc3ccccc32)C1 ZINC000246478120 394516660 /nfs/dbraw/zinc/51/66/60/394516660.db2.gz QMRPKXHAZHGVFG-DZGCQCFKSA-N 1 0 287.407 2.487 10 0 CEAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1CCOCC(F)(F)F ZINC000252661358 394573082 /nfs/dbraw/zinc/57/30/82/394573082.db2.gz IUDHUKUHCBPHOW-RYUDHWBXSA-N 1 0 280.334 2.124 10 0 CEAERO CC(C)OCC[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253088164 394575677 /nfs/dbraw/zinc/57/56/77/394575677.db2.gz FAEGZKYIQWGUNS-RBSFLKMASA-N 1 0 255.402 2.427 10 0 CEAERO CC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000306673083 394517175 /nfs/dbraw/zinc/51/71/75/394517175.db2.gz MWBRZHFQDRJKBW-ARFHVFGLSA-N 1 0 258.365 2.033 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCC[C@@H](C)C2)C1 ZINC000246592945 394519026 /nfs/dbraw/zinc/51/90/26/394519026.db2.gz YYAOADGGEREXPP-MGPQQGTHSA-N 1 0 267.417 2.157 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[C@]23CCc2ccccc23)C1 ZINC000246668916 394519926 /nfs/dbraw/zinc/51/99/26/394519926.db2.gz GCZOFRBUPJOCJB-KYJSFNMBSA-N 1 0 284.403 2.053 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(Cl)c[nH]1 ZINC000246896342 394523058 /nfs/dbraw/zinc/52/30/58/394523058.db2.gz HGGIRPKWYNNEAA-NEPJUHHUSA-N 1 0 281.787 2.367 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(Cl)n1 ZINC000246964179 394524138 /nfs/dbraw/zinc/52/41/38/394524138.db2.gz NAHFUYABFRNXOD-NEPJUHHUSA-N 1 0 293.798 2.434 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)COc2ccc(Cl)cc2)C1 ZINC000048753498 394526535 /nfs/dbraw/zinc/52/65/35/394526535.db2.gz PIIVDVBGYAWLLI-CYBMUJFWSA-N 1 0 296.798 2.319 10 0 CEAERO OCC[C@@H]1CC[N@H+](CCCOCc2ccccc2)C1 ZINC000309984135 394534279 /nfs/dbraw/zinc/53/42/79/394534279.db2.gz WNTHKGHCCQLGJH-HNNXBMFYSA-N 1 0 263.381 2.298 10 0 CEAERO Cc1ccc2cc(CN3C[C@H](C)[C@H]([NH3+])C3)ccc2n1 ZINC000261571954 394602809 /nfs/dbraw/zinc/60/28/09/394602809.db2.gz SHGLOCLVRYAVET-XHDPSFHLSA-N 1 0 255.365 2.322 10 0 CEAERO C[C@H]1CN(c2ccnc(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000261590716 394603458 /nfs/dbraw/zinc/60/34/58/394603458.db2.gz XDZSNBFQDUSWKR-WPRPVWTQSA-N 1 0 259.275 2.274 10 0 CEAERO Cc1c(C[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)cnn1C ZINC000093649970 394668251 /nfs/dbraw/zinc/66/82/51/394668251.db2.gz ZEMCIDJXGMNZOQ-JTQLQIEISA-N 1 0 287.367 2.070 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1cc(Cl)c2ccccc2n1 ZINC000335469059 394769780 /nfs/dbraw/zinc/76/97/80/394769780.db2.gz GSSFWFBNGBHWKU-SKDRFNHKSA-N 1 0 289.766 2.450 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H]2CSC)C1 ZINC000121473383 394798279 /nfs/dbraw/zinc/79/82/79/394798279.db2.gz YAYWEBRIPBMKAC-CHWSQXEVSA-N 1 0 285.457 2.008 10 0 CEAERO CCn1nccc1C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000129356799 394863849 /nfs/dbraw/zinc/86/38/49/394863849.db2.gz REDKWUMSQXWCCY-UKRRQHHQSA-N 1 0 263.385 2.030 10 0 CEAERO C[N@@H+]1CCC[C@@H]1CCN1CCO[C@H]2CCCC[C@@H]21 ZINC000125008721 394841382 /nfs/dbraw/zinc/84/13/82/394841382.db2.gz KSORZLTWCBFTQW-ILXRZTDVSA-N 1 0 252.402 2.114 10 0 CEAERO CC(C)CSCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000131531825 394912735 /nfs/dbraw/zinc/91/27/35/394912735.db2.gz WRSVKVQZDFZORX-CYBMUJFWSA-N 1 0 272.458 2.318 10 0 CEAERO CC[C@H](Cc1ccccc1)[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000282214165 394913153 /nfs/dbraw/zinc/91/31/53/394913153.db2.gz HNENVRSBLLGYTB-YUELXQCFSA-N 1 0 260.381 2.264 10 0 CEAERO [NH3+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCc2sccc21 ZINC000131553783 394914104 /nfs/dbraw/zinc/91/41/04/394914104.db2.gz XWARMHSOIFFLFP-CMPLNLGQSA-N 1 0 264.394 2.118 10 0 CEAERO Cc1cc(Cl)ccc1C[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000282391661 394919095 /nfs/dbraw/zinc/91/90/95/394919095.db2.gz OZOKFJRFNWJXTM-MFKMUULPSA-N 1 0 266.772 2.405 10 0 CEAERO C[C@@H]1CCC[C@H](CN2CCO[C@H](C[NH+](C)C)C2)C1 ZINC000133399412 394951338 /nfs/dbraw/zinc/95/13/38/394951338.db2.gz XDXPYPGKKUCXHD-QLFBSQMISA-N 1 0 254.418 2.075 10 0 CEAERO CCC[NH+](CCC)CCCNC(=O)[C@@H]1CC[C@H](C)O1 ZINC000152099345 394986761 /nfs/dbraw/zinc/98/67/61/394986761.db2.gz STLITDHYFBDONQ-KBPBESRZSA-N 1 0 270.417 2.182 10 0 CEAERO C[C@]1(CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CCCS1 ZINC000153385655 395005739 /nfs/dbraw/zinc/00/57/39/395005739.db2.gz BXCKGHIXYOFILK-UKRRQHHQSA-N 1 0 297.468 2.152 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2COc3ccccc32)C1 ZINC000155714140 395029149 /nfs/dbraw/zinc/02/91/49/395029149.db2.gz BOLMPGTVJWBEMA-YUELXQCFSA-N 1 0 288.391 2.008 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)c1nc2ccccc2[nH]1 ZINC000135039078 394962903 /nfs/dbraw/zinc/96/29/03/394962903.db2.gz RIJMOAGJEVCXGH-LBPRGKRZSA-N 1 0 258.369 2.483 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)N[C@@H]2CCCc3sccc32)C1 ZINC000136580195 394970341 /nfs/dbraw/zinc/97/03/41/394970341.db2.gz OPEGECMQGSFBEZ-WCQYABFASA-N 1 0 293.436 2.471 10 0 CEAERO CCc1nnc(C[NH2+][C@H]2CCCC[C@@H]2CC)n1C ZINC000163297168 395083174 /nfs/dbraw/zinc/08/31/74/395083174.db2.gz DXTJXNDDMFQSFK-RYUDHWBXSA-N 1 0 250.390 2.436 10 0 CEAERO CCC[C@H]([NH3+])C(=O)NCCCc1nc2c(s1)CCCC2 ZINC000158176786 395039817 /nfs/dbraw/zinc/03/98/17/395039817.db2.gz OOGOAGBYVFXMKH-NSHDSACASA-N 1 0 295.452 2.198 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccsc1 ZINC000175020971 395130764 /nfs/dbraw/zinc/13/07/64/395130764.db2.gz WRRGSPHIBZPUOJ-QWHCGFSZSA-N 1 0 264.394 2.447 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC1CCC1 ZINC000175024951 395130860 /nfs/dbraw/zinc/13/08/60/395130860.db2.gz CUWJXAAZNSUKQY-UONOGXRCSA-N 1 0 250.386 2.262 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ncccc1C ZINC000173333728 395112028 /nfs/dbraw/zinc/11/20/28/395112028.db2.gz NBVSGQKFBAGWHJ-ZIAGYGMSSA-N 1 0 288.395 2.481 10 0 CEAERO CC[NH2+][C@@H](CCO)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095091374 285611103 /nfs/dbraw/zinc/61/11/03/285611103.db2.gz SYFRKNYYYOJHER-QWHCGFSZSA-N 1 0 286.416 2.137 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccc2c(c1)CCCO2 ZINC000383654343 395186267 /nfs/dbraw/zinc/18/62/67/395186267.db2.gz QVHLTNPMIHXQIY-ZDUSSCGKSA-N 1 0 262.353 2.324 10 0 CEAERO OCCN1CCC[C@H]([NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000384380044 395192722 /nfs/dbraw/zinc/19/27/22/395192722.db2.gz KTYQLBHSKMCZEL-KRWDZBQOSA-N 1 0 274.408 2.110 10 0 CEAERO CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+][C@@H]2C[C@H]2C)C1 ZINC000180638332 395204708 /nfs/dbraw/zinc/20/47/08/395204708.db2.gz SSBSOZKDKUVSSJ-DGCLKSJQSA-N 1 0 297.395 2.036 10 0 CEAERO CO[C@H](C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1)C1CC1 ZINC000400164043 395251739 /nfs/dbraw/zinc/25/17/39/395251739.db2.gz IHRABLPDGOGBGY-ZNMIVQPWSA-N 1 0 253.386 2.038 10 0 CEAERO C[C@H](N[C@@H](C)[C@H]1CCC[NH2+]1)c1ccc2c(c1)OCCO2 ZINC000400400973 395251814 /nfs/dbraw/zinc/25/18/14/395251814.db2.gz KRGHFPXBWRNJSW-SGMGOOAPSA-N 1 0 276.380 2.249 10 0 CEAERO COC[C@@H]1CCCC[N@@H+]1C[C@H](O)COCc1ccccc1 ZINC000396010077 395214851 /nfs/dbraw/zinc/21/48/51/395214851.db2.gz NXLXYXFLQZYWRZ-IRXDYDNUSA-N 1 0 293.407 2.065 10 0 CEAERO O[C@@H]1CCCC[C@@H]1[C@H]1CCC[N@@H+]1CCC1(O)CCC1 ZINC000396784148 395218056 /nfs/dbraw/zinc/21/80/56/395218056.db2.gz LVLJLOXRSFUILE-RBSFLKMASA-N 1 0 267.413 2.307 10 0 CEAERO O=C(CCC1CCC1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186536096 395291666 /nfs/dbraw/zinc/29/16/66/395291666.db2.gz POPCMHKADQHXFC-ZDUSSCGKSA-N 1 0 250.386 2.310 10 0 CEAERO CC[C@@H]1CN(C(=O)[C@@H]2C[C@@]2(C)C(C)C)CC[N@@H+]1CCOC ZINC000186438169 395291805 /nfs/dbraw/zinc/29/18/05/395291805.db2.gz RXDGOEXRZHLNBB-VYDXJSESSA-N 1 0 296.455 2.238 10 0 CEAERO [NH3+]C1CCC(C(=O)NC[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000403250197 395274799 /nfs/dbraw/zinc/27/47/99/395274799.db2.gz HHBDSLIYWANCAZ-IAFLXDRLSA-N 1 0 250.386 2.056 10 0 CEAERO CCC1(CC)[C@H]([NH2+]Cc2nnnn2C(C)C)[C@@H](C)[C@@H]1OC ZINC000191399824 395358159 /nfs/dbraw/zinc/35/81/59/395358159.db2.gz VSVQUZOHDBESQB-BNOWGMLFSA-N 1 0 295.431 2.183 10 0 CEAERO CCOCC[N@@H+]1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000195250229 395463136 /nfs/dbraw/zinc/46/31/36/395463136.db2.gz GVRVOWOZDKAWTC-AWEZNQCLSA-N 1 0 297.468 2.242 10 0 CEAERO CC(C)(C[N@@H+]1CC[C@H]2OCCN[C@@H]2C1)c1ccccc1 ZINC000647541088 395730226 /nfs/dbraw/zinc/73/02/26/395730226.db2.gz ZUEYKVPEELSRCZ-HZPDHXFCSA-N 1 0 274.408 2.027 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCc2ccsc2C1 ZINC000648153746 395847110 /nfs/dbraw/zinc/84/71/10/395847110.db2.gz GVQJPDLJNIHHCU-NWDGAFQWSA-N 1 0 264.394 2.008 10 0 CEAERO Cc1ccc(CCC(=O)NCC[C@@H](C)[NH3+])cc1Cl ZINC000646678726 396368589 /nfs/dbraw/zinc/36/85/89/396368589.db2.gz FXPVGPREEFKMIZ-LLVKDONJSA-N 1 0 268.788 2.435 10 0 CEAERO C[C@@H]1C[C@H]1c1ccc(CCC(=O)NC[C@@H]2CC[NH2+]C2)o1 ZINC000646967420 396396848 /nfs/dbraw/zinc/39/68/48/396396848.db2.gz PDRNFEFTWBDCKU-YRGRVCCFSA-N 1 0 276.380 2.061 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)C1(c2cccc(Cl)c2)CCC1 ZINC000647031823 396405492 /nfs/dbraw/zinc/40/54/92/396405492.db2.gz CHVPAXNSEZPGHD-LLVKDONJSA-N 1 0 280.799 2.486 10 0 CEAERO [NH3+]C1CCC(C(=O)Nc2cccc(-n3ccnc3)c2)CC1 ZINC000037627227 400117719 /nfs/dbraw/zinc/11/77/19/400117719.db2.gz DUFNNRQYRRGBNH-UHFFFAOYSA-N 1 0 284.363 2.328 10 0 CEAERO C[C@@H](NC(=O)C[C@H](C)[NH3+])c1ccc2c(c1)CCCC2 ZINC000037608359 400117958 /nfs/dbraw/zinc/11/79/58/400117958.db2.gz OTQDQGYXOLDKFZ-NWDGAFQWSA-N 1 0 260.381 2.480 10 0 CEAERO CC(C)[C@H](C)NC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000047684760 400182677 /nfs/dbraw/zinc/18/26/77/400182677.db2.gz BCHIDRZZTVSPPC-LBPRGKRZSA-N 1 0 255.406 2.203 10 0 CEAERO Cc1cc(Cl)cc(C[NH2+][C@H]2CCCN(CCO)C2)c1 ZINC000395264679 400555056 /nfs/dbraw/zinc/55/50/56/400555056.db2.gz LHHVBGCZFLRUEM-HNNXBMFYSA-N 1 0 282.815 2.195 10 0 CEAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CS(C)(=O)=O)c(C)c1 ZINC000081900566 292196375 /nfs/dbraw/zinc/19/63/75/292196375.db2.gz MCJGAXWODABZJU-QWHCGFSZSA-N 1 0 269.410 2.387 10 0 CEAERO CO[C@]1(C)C[C@H](N(C)C(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1(C)C ZINC000262336247 289259344 /nfs/dbraw/zinc/25/93/44/289259344.db2.gz ZJBSYWAABBNGIZ-RSUWNVLCSA-N 1 0 282.428 2.166 10 0 CEAERO Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)NCC[C@@H](C)[NH3+])cc1 ZINC000262530727 292232705 /nfs/dbraw/zinc/23/27/05/292232705.db2.gz HAGGYYFGMHVFCW-KBMXLJTQSA-N 1 0 290.407 2.316 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)C12CCOCC2 ZINC000248907098 286278623 /nfs/dbraw/zinc/27/86/23/286278623.db2.gz BHSMUIACMCFWPV-RRFJBIMHSA-N 1 0 299.455 2.347 10 0 CEAERO COc1ccc(CN2CC[C@@H]([NH3+])[C@@H]2C)c(Cl)c1OC ZINC000261587210 286307867 /nfs/dbraw/zinc/30/78/67/286307867.db2.gz JIRCHGDCNKMTAU-GXSJLCMTSA-N 1 0 284.787 2.279 10 0 CEAERO Cc1ncsc1/C=C/C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000188923019 153074743 /nfs/dbraw/zinc/07/47/43/153074743.db2.gz DCRRXWBNUBRHOI-ILBNWAPMSA-N 1 0 291.420 2.160 10 0 CEAERO CCN(C)c1ccc(C[NH2+][C@@H]2CCCN(CC)C2)cn1 ZINC000190851353 153146013 /nfs/dbraw/zinc/14/60/13/153146013.db2.gz XVCNDCMSRFKFEB-OAHLLOKOSA-N 1 0 276.428 2.112 10 0 CEAERO c1cnn(CC2CC[NH+](CCO[C@H]3CCCCO3)CC2)c1 ZINC000193050904 153227514 /nfs/dbraw/zinc/22/75/14/153227514.db2.gz NHWZGEGAOODUST-INIZCTEOSA-N 1 0 293.411 2.138 10 0 CEAERO CC[C@@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000195326795 153281538 /nfs/dbraw/zinc/28/15/38/153281538.db2.gz YRPUOMCYNKQNHC-HZPDHXFCSA-N 1 0 272.392 2.487 10 0 CEAERO Cc1csc2c1ncnc2NC[C@H]([NH3+])C(C)C ZINC000222339488 153317057 /nfs/dbraw/zinc/31/70/57/153317057.db2.gz WQAZIAIQDIJOND-VIFPVBQESA-N 1 0 250.371 2.395 10 0 CEAERO CCc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@H](CCO)C1 ZINC000227572146 153347188 /nfs/dbraw/zinc/34/71/88/153347188.db2.gz VIRSUDLOKDGSMP-CQSZACIVSA-N 1 0 290.407 2.200 10 0 CEAERO CCOc1ccc(C(C)=O)cc1C[N@@H+]1CC[C@H](CCO)C1 ZINC000227572133 153347601 /nfs/dbraw/zinc/34/76/01/153347601.db2.gz CGNRRAWKRNEANN-CQSZACIVSA-N 1 0 291.391 2.492 10 0 CEAERO Cc1nn(C)c(Cl)c1CN1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000227704888 153350992 /nfs/dbraw/zinc/35/09/92/153350992.db2.gz UZBGJJQIEPGCQX-DGCLKSJQSA-N 1 0 296.846 2.441 10 0 CEAERO Cc1cnc([C@@H](C)NC[C@H](O)COc2ccccc2)o1 ZINC000230642441 153392700 /nfs/dbraw/zinc/39/27/00/153392700.db2.gz YBFYULKZWJOCDB-OLZOCXBDSA-N 1 0 276.336 2.074 10 0 CEAERO CC1(C)CN(C(=O)Cc2cc(F)ccc2F)CC[C@H]1[NH3+] ZINC000261678157 153805030 /nfs/dbraw/zinc/80/50/30/153805030.db2.gz CHIBNOFMONMJHL-CYBMUJFWSA-N 1 0 282.334 2.093 10 0 CEAERO COc1ccc(-c2noc(CC[C@H]3CCC[NH2+]3)n2)cc1 ZINC000261807423 153845460 /nfs/dbraw/zinc/84/54/60/153845460.db2.gz SAQLJDUXJHLZFS-GFCCVEGCSA-N 1 0 273.336 2.430 10 0 CEAERO COc1ccc([C@H](C)C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261866312 153863013 /nfs/dbraw/zinc/86/30/13/153863013.db2.gz NPUXUSRKCYIDTK-WFASDCNBSA-N 1 0 290.407 2.385 10 0 CEAERO C[C@@H]([NH3+])CC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000261874909 153867783 /nfs/dbraw/zinc/86/77/83/153867783.db2.gz RPVGBWOUOXQYEM-MWLCHTKSSA-N 1 0 274.286 2.014 10 0 CEAERO C[C@@H]([NH3+])CC(=O)N[C@@H](C)c1ccc(F)cc1Cl ZINC000261931781 153877856 /nfs/dbraw/zinc/87/78/56/153877856.db2.gz YYNJJRQISKIPPA-SFYZADRCSA-N 1 0 258.724 2.394 10 0 CEAERO CCC1(CC)CN(C(=O)[C@H]([NH3+])COC)c2ccccc21 ZINC000262398179 153945450 /nfs/dbraw/zinc/94/54/50/153945450.db2.gz ZKQXQXUZTLFKFT-CYBMUJFWSA-N 1 0 276.380 2.065 10 0 CEAERO O=C(NC1CC[NH2+]CC1)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000262507352 153954797 /nfs/dbraw/zinc/95/47/97/153954797.db2.gz IJGJMGQNNPDOPA-KBPBESRZSA-N 1 0 278.783 2.312 10 0 CEAERO C[NH2+]CCC(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F ZINC000262569362 153961630 /nfs/dbraw/zinc/96/16/30/153961630.db2.gz SEKVFNJKOCAEGG-LLVKDONJSA-N 1 0 278.249 2.155 10 0 CEAERO C[C@]1([NH3+])CCCC[C@H]1C(=O)Nc1ccnc2ccncc21 ZINC000263187892 154031615 /nfs/dbraw/zinc/03/16/15/154031615.db2.gz HOKIRHSMHHIVJS-LRDDRELGSA-N 1 0 284.363 2.476 10 0 CEAERO CN1CC[NH2+]C[C@@H]1c1noc([C@H]2C[C@@H]2C2CCCCC2)n1 ZINC000263214945 154033644 /nfs/dbraw/zinc/03/36/44/154033644.db2.gz KSNATWZBFPIXRV-HZSPNIEDSA-N 1 0 290.411 2.330 10 0 CEAERO CN1CC[NH2+]C[C@H]1c1noc(-c2ccc(F)cc2Cl)n1 ZINC000263246515 154042668 /nfs/dbraw/zinc/04/26/68/154042668.db2.gz PIEZVUALAQVTQZ-NSHDSACASA-N 1 0 296.733 2.105 10 0 CEAERO CC(C)n1ncc2cc(CN3CC[NH2+]C(C)(C)C3)cnc21 ZINC000263257521 154046416 /nfs/dbraw/zinc/04/64/16/154046416.db2.gz RGTKOEFGZFEELB-UHFFFAOYSA-N 1 0 287.411 2.196 10 0 CEAERO CCCc1nnc(NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])s1 ZINC000263293502 154052449 /nfs/dbraw/zinc/05/24/49/154052449.db2.gz VZIMVRUOYLGEBV-TVQRCGJNSA-N 1 0 282.413 2.337 10 0 CEAERO Cc1cccc([C@H](C)[NH2+][C@@H](C)CS(C)(=O)=O)c1 ZINC000160204655 162325955 /nfs/dbraw/zinc/32/59/55/162325955.db2.gz ZCJMJLFJMKCWBK-RYUDHWBXSA-N 1 0 255.383 2.079 10 0 CEAERO COc1ccc(Cl)cc1CN1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000167326149 162358425 /nfs/dbraw/zinc/35/84/25/162358425.db2.gz GVWUSHZYCYWGFN-ZIAGYGMSSA-N 1 0 298.814 2.287 10 0 CEAERO Cc1cc(Br)cnc1N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000168576839 162367680 /nfs/dbraw/zinc/36/76/80/162367680.db2.gz FGYSMFMPJBZJLW-NXEZZACHSA-N 1 0 284.201 2.326 10 0 CEAERO CCCN(C(=O)N[C@H]1CCC[N@H+](CC)C1)C1CC1 ZINC000171430597 162384659 /nfs/dbraw/zinc/38/46/59/162384659.db2.gz WSIQBFKXVMPOEL-LBPRGKRZSA-N 1 0 253.390 2.055 10 0 CEAERO CCC[C@@H](C)C(=O)N1CC[N@H+](CCOCC)[C@@H](CC)C1 ZINC000247053219 162478877 /nfs/dbraw/zinc/47/88/77/162478877.db2.gz OPWKUHMFYJXBNA-CABCVRRESA-N 1 0 284.444 2.382 10 0 CEAERO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1ccc(Cl)cn1 ZINC000134525631 165030296 /nfs/dbraw/zinc/03/02/96/165030296.db2.gz FPKMYZCKBZCDMZ-UHFFFAOYSA-N 1 0 287.750 2.268 10 0 CEAERO CC(C)[C@@H](C)NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171579855 165046263 /nfs/dbraw/zinc/04/62/63/165046263.db2.gz VCXHICMKXUBYKW-ZIAGYGMSSA-N 1 0 267.417 2.301 10 0 CEAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)CCC2CCC2)CC1 ZINC000175419877 165133735 /nfs/dbraw/zinc/13/37/35/165133735.db2.gz ONUVJTUMQLKOOY-AWEZNQCLSA-N 1 0 296.455 2.118 10 0 CEAERO CCC[C@H](C)CS(=O)(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000175399368 165134554 /nfs/dbraw/zinc/13/45/54/165134554.db2.gz QLCUCYMSKJPASL-KBPBESRZSA-N 1 0 290.473 2.169 10 0 CEAERO C[C@H]1C[C@H]1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177473503 165200971 /nfs/dbraw/zinc/20/09/71/165200971.db2.gz YCVFIWCTLXGPQB-SWLSCSKDSA-N 1 0 279.428 2.491 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000177696021 165207708 /nfs/dbraw/zinc/20/77/08/165207708.db2.gz QAJNZTNPNIFCET-JKSUJKDBSA-N 1 0 297.487 2.436 10 0 CEAERO Cc1oc(-c2ccccc2)nc1CC(=O)NCC[C@@H](C)[NH3+] ZINC000178660089 165253270 /nfs/dbraw/zinc/25/32/70/165253270.db2.gz SHCNCZLXIATAJV-LLVKDONJSA-N 1 0 287.363 2.046 10 0 CEAERO C[C@@H](NC(=O)C[C@H]1CCC[NH2+]1)c1cccc(-n2ccnc2)c1 ZINC000178862817 165262556 /nfs/dbraw/zinc/26/25/56/165262556.db2.gz HDCNHIJEYGNDNG-UKRRQHHQSA-N 1 0 298.390 2.192 10 0 CEAERO Cc1ccc(-c2n[nH]cc2CN2CC[N@@H+]3CCC[C@@H]3C2)o1 ZINC000179546167 165285423 /nfs/dbraw/zinc/28/54/23/165285423.db2.gz ZJXZXMNUKCRAAA-CQSZACIVSA-N 1 0 286.379 2.258 10 0 CEAERO CC[C@H](C)C[NH2+][C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000180231381 165300732 /nfs/dbraw/zinc/30/07/32/165300732.db2.gz MBLUQQGMVJGTGR-NWDGAFQWSA-N 1 0 250.390 2.352 10 0 CEAERO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000180206976 165300944 /nfs/dbraw/zinc/30/09/44/165300944.db2.gz LKFPCEREHPHUAS-STQMWFEESA-N 1 0 292.427 2.334 10 0 CEAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)CC2 ZINC000180618067 165316031 /nfs/dbraw/zinc/31/60/31/165316031.db2.gz YOCYXWXMWBKZRL-VXGBXAGGSA-N 1 0 292.427 2.091 10 0 CEAERO CC[C@@H]1C[C@H](C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CC)CCO1 ZINC000180832705 165320218 /nfs/dbraw/zinc/32/02/18/165320218.db2.gz DAWNZJBZQSSIOB-FXUDXRNXSA-N 1 0 294.439 2.277 10 0 CEAERO CCCc1cnc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000180848313 165320399 /nfs/dbraw/zinc/32/03/99/165320399.db2.gz RKMDQGILYUPOIF-LLVKDONJSA-N 1 0 294.424 2.408 10 0 CEAERO Cn1cc([C@H]2CCC[N@@H+]2CCO[C@@H]2CCCCO2)cn1 ZINC000181682971 165352845 /nfs/dbraw/zinc/35/28/45/165352845.db2.gz YXDQWHJJAGLRTN-HUUCEWRRSA-N 1 0 279.384 2.100 10 0 CEAERO Cn1cc([C@H]2CC[N@H+](C[C@H](O)CCc3ccccc3)C2)cn1 ZINC000182393466 165370607 /nfs/dbraw/zinc/37/06/07/165370607.db2.gz IGSGNHNOLZUBRG-FUHWJXTLSA-N 1 0 299.418 2.203 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CSC(F)(F)F ZINC000246983342 287226327 /nfs/dbraw/zinc/22/63/27/287226327.db2.gz OQCPTXDRYPEYLH-ZJUUUORDSA-N 1 0 296.358 2.325 10 0 CEAERO NC(=S)c1ccc(NC(=O)CCC[NH+]2CCCC2)cc1 ZINC000019507239 170818826 /nfs/dbraw/zinc/81/88/26/170818826.db2.gz VXSPFHFOQJEPJE-UHFFFAOYSA-N 1 0 291.420 2.135 10 0 CEAERO [NH3+]CCCN(Cc1cccnc1)C(=O)Nc1ccccc1 ZINC000019813333 170879797 /nfs/dbraw/zinc/87/97/97/170879797.db2.gz RXGRWBFOJUQSFT-UHFFFAOYSA-N 1 0 284.363 2.465 10 0 CEAERO CCOc1ccc([C@H]([NH3+])c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000019842561 170890451 /nfs/dbraw/zinc/89/04/51/170890451.db2.gz GXQQAQDDGHAGHO-HNNXBMFYSA-N 1 0 283.331 2.303 10 0 CEAERO C[C@H]([NH3+])c1ccc(-n2nnc(-c3ccccc3)n2)c(F)c1 ZINC000019872797 170902727 /nfs/dbraw/zinc/90/27/27/170902727.db2.gz KPNVNBBIDCFWKF-JTQLQIEISA-N 1 0 283.310 2.488 10 0 CEAERO COc1cc(C[NH2+]CCc2ccccn2)ccc1O ZINC000019916355 170925500 /nfs/dbraw/zinc/92/55/00/170925500.db2.gz UXWOMWJJYLTSQN-UHFFFAOYSA-N 1 0 258.321 2.128 10 0 CEAERO CCC(CC)[NH2+]CC(=O)Nc1ccc(OC)cc1 ZINC000020037290 170974756 /nfs/dbraw/zinc/97/47/56/170974756.db2.gz XGMNGADVSAXYNV-UHFFFAOYSA-N 1 0 250.342 2.412 10 0 CEAERO CCCNC(=O)C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000020038153 170975231 /nfs/dbraw/zinc/97/52/31/170975231.db2.gz DBJYKWLNLFAOKN-UHFFFAOYSA-N 1 0 250.386 2.071 10 0 CEAERO CC(C)C[C@@H](C[NH2+]Cc1ccc(O)cc1)N1CCOCC1 ZINC000020144203 171029741 /nfs/dbraw/zinc/02/97/41/171029741.db2.gz ADPWRVNWJUGZLY-INIZCTEOSA-N 1 0 292.423 2.229 10 0 CEAERO CO[C@@H]1C[C@@H](CO)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000284585842 196089696 /nfs/dbraw/zinc/08/96/96/196089696.db2.gz OMVUJEFBDQFXCU-QWHCGFSZSA-N 1 0 289.297 2.287 10 0 CEAERO [NH3+]CCCN(c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000020232428 171094913 /nfs/dbraw/zinc/09/49/13/171094913.db2.gz MQTKGRPWQDEHOR-UHFFFAOYSA-N 1 0 290.388 2.231 10 0 CEAERO C[N@H+](CCC(N)=S)Cc1ccc2ncccc2c1 ZINC000020248361 171101688 /nfs/dbraw/zinc/10/16/88/171101688.db2.gz GRXIGNMPEKIRIS-UHFFFAOYSA-N 1 0 259.378 2.343 10 0 CEAERO [NH3+]C[C@@H](c1c(F)cccc1F)N1CCSCC1 ZINC000020257019 171111554 /nfs/dbraw/zinc/11/15/54/171111554.db2.gz OACJEDYSRKZQGH-NSHDSACASA-N 1 0 258.337 2.013 10 0 CEAERO CCc1ccc([C@H](C[NH3+])N2CCSCC2)cc1 ZINC000020257023 171111851 /nfs/dbraw/zinc/11/18/51/171111851.db2.gz RPRNVUPLUNAMBT-AWEZNQCLSA-N 1 0 250.411 2.298 10 0 CEAERO CC(C)[NH+](CCN[C@@H](C)C(=O)N1CCCCCC1)C(C)C ZINC000020317193 171147737 /nfs/dbraw/zinc/14/77/37/171147737.db2.gz KPIGNFXHFJYOCH-INIZCTEOSA-N 1 0 297.487 2.486 10 0 CEAERO CCCCCNC(=O)[C@@H](C)[NH2+]Cc1ccc(OC)cc1 ZINC000020364360 171162706 /nfs/dbraw/zinc/16/27/06/171162706.db2.gz KDLRVHXKAYIHNE-CYBMUJFWSA-N 1 0 278.396 2.480 10 0 CEAERO Cc1c(C[NH3+])nnn1-c1ccc(Cl)cc1Cl ZINC000020391534 171180034 /nfs/dbraw/zinc/18/00/34/171180034.db2.gz XGAUZODZYZCVFK-UHFFFAOYSA-N 1 0 257.124 2.341 10 0 CEAERO C[C@H]([NH3+])c1c(F)cccc1Sc1nccc(=O)[nH]1 ZINC000020483991 171223615 /nfs/dbraw/zinc/22/36/15/171223615.db2.gz DOAZJHRUHWNCPG-ZETCQYMHSA-N 1 0 265.313 2.080 10 0 CEAERO CCOC(=O)[C@@H](C[NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC000020580143 171257104 /nfs/dbraw/zinc/25/71/04/171257104.db2.gz IFWNNPTXLPWLPB-SNVBAGLBSA-N 1 0 275.270 2.386 10 0 CEAERO CCCN1CC[N@H+](Cc2cccs2)CCC1=O ZINC000020996820 171284262 /nfs/dbraw/zinc/28/42/62/171284262.db2.gz GPKBQJBIVDRNRQ-UHFFFAOYSA-N 1 0 252.383 2.192 10 0 CEAERO Cc1ccc(-c2nc3cccnc3n2CC[NH3+])cc1 ZINC000021925049 171337414 /nfs/dbraw/zinc/33/74/14/171337414.db2.gz UHHLBEYGEOCILU-UHFFFAOYSA-N 1 0 252.321 2.365 10 0 CEAERO [NH3+]Cc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 ZINC000021967455 171343868 /nfs/dbraw/zinc/34/38/68/171343868.db2.gz GZKJUHCEQFUPLT-UHFFFAOYSA-N 1 0 280.324 2.085 10 0 CEAERO CC1CC[NH+](CCC(=O)Nc2ccc(F)c(N)c2)CC1 ZINC000022151503 171358498 /nfs/dbraw/zinc/35/84/98/171358498.db2.gz KHIBIKYZZROJMR-UHFFFAOYSA-N 1 0 279.359 2.468 10 0 CEAERO C[C@@H]1C[N@@H+](CCCC(=O)Nc2ccccc2N)C[C@H](C)O1 ZINC000022154651 171361404 /nfs/dbraw/zinc/36/14/04/171361404.db2.gz RNKZOLZRZOIOIR-BETUJISGSA-N 1 0 291.395 2.097 10 0 CEAERO C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2N)C1 ZINC000022155719 171362362 /nfs/dbraw/zinc/36/23/62/171362362.db2.gz VVZZTULZXWHAOL-LBPRGKRZSA-N 1 0 261.369 2.329 10 0 CEAERO Clc1cc(CC2C[NH2+]C2)cc2c1OCCCO2 ZINC000022161020 171364302 /nfs/dbraw/zinc/36/43/02/171364302.db2.gz CDJBRJQYTXNNBR-UHFFFAOYSA-N 1 0 253.729 2.263 10 0 CEAERO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2ccccc2N)C1 ZINC000022170757 171367622 /nfs/dbraw/zinc/36/76/22/171367622.db2.gz GBCMHLGXXXFWQC-VXGBXAGGSA-N 1 0 261.369 2.185 10 0 CEAERO CC[C@H](C)NC(=O)COc1ccccc1[C@@H]([NH3+])CC ZINC000022174351 171369155 /nfs/dbraw/zinc/36/91/55/171369155.db2.gz YUNZRUUYWLHQRT-AAEUAGOBSA-N 1 0 264.369 2.390 10 0 CEAERO C[C@H]1[C@H](NS(=O)(=O)c2cccc(C[NH3+])c2)CCC[C@@H]1C ZINC000022173422 171369310 /nfs/dbraw/zinc/36/93/10/171369310.db2.gz BFQDKNSJDNTJNV-YWPYICTPSA-N 1 0 296.436 2.248 10 0 CEAERO COc1ccc(N)cc1NC(=O)CC[NH+]1CCCCCC1 ZINC000022176638 171371127 /nfs/dbraw/zinc/37/11/27/171371127.db2.gz UTJGKHFFMUBZFM-UHFFFAOYSA-N 1 0 291.395 2.482 10 0 CEAERO CCc1ccc(O[C@@H]2CC3(CC[C@@H]2[NH3+])OCCO3)cc1 ZINC000022564235 171391864 /nfs/dbraw/zinc/39/18/64/171391864.db2.gz SPRFIDFDCDZUGX-LSDHHAIUSA-N 1 0 277.364 2.251 10 0 CEAERO C[C@H]([NH2+]Cc1ccc(SC(F)(F)F)cc1)C(N)=O ZINC000035148945 172010940 /nfs/dbraw/zinc/01/09/40/172010940.db2.gz KSOYUITYJFUURZ-ZETCQYMHSA-N 1 0 278.299 2.262 10 0 CEAERO Cc1ccc(Cl)cc1NC(=O)CNCCC[NH+](C)C ZINC000035154796 172016898 /nfs/dbraw/zinc/01/68/98/172016898.db2.gz IVUAZXVUEGNXBB-UHFFFAOYSA-N 1 0 283.803 2.128 10 0 CEAERO C[NH+](C)CCN[C@H](c1ccccc1)c1ccncc1 ZINC000035174608 172027837 /nfs/dbraw/zinc/02/78/37/172027837.db2.gz QYAQSLXXCDWBEU-MRXNPFEDSA-N 1 0 255.365 2.322 10 0 CEAERO C[NH2+][C@@H](c1ccc(C)o1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000035488326 172222956 /nfs/dbraw/zinc/22/29/56/172222956.db2.gz DLTXMAHPSPUPMD-CYBMUJFWSA-N 1 0 257.293 2.066 10 0 CEAERO C[NH2+][C@@H](CC(F)(F)F)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000035488651 172223617 /nfs/dbraw/zinc/22/36/17/172223617.db2.gz OGEQLMJAKQIING-VIFPVBQESA-N 1 0 259.231 2.069 10 0 CEAERO CC(C)(C)OC(=O)N1C[C@H]([NH3+])[C@@H](c2cccc(F)c2)C1 ZINC000035571747 172267056 /nfs/dbraw/zinc/26/70/56/172267056.db2.gz PODWONBIEUIEAX-OLZOCXBDSA-N 1 0 280.343 2.487 10 0 CEAERO CC[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(CC)CC)c1 ZINC000035632781 172315824 /nfs/dbraw/zinc/31/58/24/172315824.db2.gz WIDXROTVDQZGGB-LBPRGKRZSA-N 1 0 284.425 2.388 10 0 CEAERO CC[NH2+]Cc1cc(Cl)cc(Cl)c1OCCO ZINC000035662091 172340144 /nfs/dbraw/zinc/34/01/44/172340144.db2.gz NRSQSJVSEBAOMV-UHFFFAOYSA-N 1 0 264.152 2.474 10 0 CEAERO CCC(C)(C)[NH2+][C@@H]1CS(=O)(=O)c2ccccc21 ZINC000035687789 172355971 /nfs/dbraw/zinc/35/59/71/172355971.db2.gz JOZBUYBKQHQZBG-LLVKDONJSA-N 1 0 253.367 2.293 10 0 CEAERO [NH3+]Cc1ccc(OCCSc2nncs2)cc1 ZINC000035724502 172379242 /nfs/dbraw/zinc/37/92/42/172379242.db2.gz GVQRFDFBZVXSKB-UHFFFAOYSA-N 1 0 267.379 2.168 10 0 CEAERO CC[C@H](CC[NH3+])Sc1nnnn1C1CCCC1 ZINC000035724009 172379283 /nfs/dbraw/zinc/37/92/83/172379283.db2.gz DAZLXEVXZWDYBU-SNVBAGLBSA-N 1 0 255.391 2.008 10 0 CEAERO [NH3+]Cc1ccc(CSc2nncs2)c(F)c1 ZINC000035724521 172379366 /nfs/dbraw/zinc/37/93/66/172379366.db2.gz RNRXQCHNYJEHIX-UHFFFAOYSA-N 1 0 255.343 2.428 10 0 CEAERO CCC[NH2+][C@@H]1c2cc(F)ccc2S(=O)(=O)C[C@@H]1C ZINC000035761539 172399232 /nfs/dbraw/zinc/39/92/32/172399232.db2.gz RMGUOEITKDEHOK-ZANVPECISA-N 1 0 271.357 2.290 10 0 CEAERO C[NH2+][C@H]1c2cc(Cl)ccc2S(=O)(=O)C[C@@H]1C ZINC000035760917 172399242 /nfs/dbraw/zinc/39/92/42/172399242.db2.gz VJZSNXQNUZJVEL-WRWORJQWSA-N 1 0 259.758 2.024 10 0 CEAERO C[NH2+][C@H]1c2cccc(Cl)c2S(=O)(=O)C[C@H]1C ZINC000035761270 172399613 /nfs/dbraw/zinc/39/96/13/172399613.db2.gz WVNXRWIUNKBVDK-GMSGAONNSA-N 1 0 259.758 2.024 10 0 CEAERO O=S1(=O)CC[C@H]([NH2+]C2CC2)c2cc(Cl)ccc21 ZINC000035760838 172399750 /nfs/dbraw/zinc/39/97/50/172399750.db2.gz OSHFKBOZAVTQGU-NSHDSACASA-N 1 0 271.769 2.311 10 0 CEAERO CC(C)(C[NH3+])c1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000036818622 172731948 /nfs/dbraw/zinc/73/19/48/172731948.db2.gz JWZZGSXTXPXQPF-CYBMUJFWSA-N 1 0 262.353 2.040 10 0 CEAERO COc1ccc(SC[C@H](O)C[NH2+]C(C)C)cc1 ZINC000036951375 172824942 /nfs/dbraw/zinc/82/49/42/172824942.db2.gz AWYSPFFOUNRFDE-LLVKDONJSA-N 1 0 255.383 2.146 10 0 CEAERO CC(C)C[C@H](CN(C)C)[NH2+]C1CCC2(CC1)OCCO2 ZINC000037167080 173001779 /nfs/dbraw/zinc/00/17/79/173001779.db2.gz NKBPZEPYKMFEPM-OAHLLOKOSA-N 1 0 284.444 2.238 10 0 CEAERO Cc1csc2nc(C)c(C[NH2+]C[C@H]3CCCO3)n12 ZINC000037215146 173035163 /nfs/dbraw/zinc/03/51/63/173035163.db2.gz LIFOHQPFWURNKK-LLVKDONJSA-N 1 0 265.382 2.281 10 0 CEAERO C=COCCC[NH2+]Cc1c(OC)nc2sccn21 ZINC000037239183 173055741 /nfs/dbraw/zinc/05/57/41/173055741.db2.gz XBWZSYJTDRMFAT-UHFFFAOYSA-N 1 0 267.354 2.044 10 0 CEAERO CC[C@@H]([NH2+]CC(=O)NC)c1cccc(Br)c1 ZINC000037254051 173064988 /nfs/dbraw/zinc/06/49/88/173064988.db2.gz OJGVNXFAHPTHMO-LLVKDONJSA-N 1 0 285.185 2.236 10 0 CEAERO COc1nc2sccn2c1C[NH2+][C@H](C)C1CC1 ZINC000037259365 173069719 /nfs/dbraw/zinc/06/97/19/173069719.db2.gz YVNYGKSJVRFUDA-MRVPVSSYSA-N 1 0 251.355 2.293 10 0 CEAERO Cc1cccc(N)c1NC(=O)C[N@H+]1CCC[C@@H](C)C1 ZINC000037272149 173083295 /nfs/dbraw/zinc/08/32/95/173083295.db2.gz SYOFVAWCDQFOBR-LLVKDONJSA-N 1 0 261.369 2.248 10 0 CEAERO CCCCS(=O)(=O)N(CCC[NH3+])c1cccc(C)c1 ZINC000037297511 173101296 /nfs/dbraw/zinc/10/12/96/173101296.db2.gz WXAHZCPUHKYWRE-UHFFFAOYSA-N 1 0 284.425 2.280 10 0 CEAERO c1cc(C[NH2+]CCCOC[C@H]2CCCO2)cc2c1OCO2 ZINC000037302210 173108465 /nfs/dbraw/zinc/10/84/65/173108465.db2.gz QHVMLQSKLNGAHT-CQSZACIVSA-N 1 0 293.363 2.091 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000037389408 173172607 /nfs/dbraw/zinc/17/26/07/173172607.db2.gz ABFJHFGHTHXQPF-RYUDHWBXSA-N 1 0 292.379 2.023 10 0 CEAERO C[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000037389951 173173144 /nfs/dbraw/zinc/17/31/44/173173144.db2.gz AYPOFMHGWOFUIR-UHFFFAOYSA-N 1 0 264.638 2.121 10 0 CEAERO CCCCOC(=O)CN[C@H](C)CCC[NH+](CC)CC ZINC000037394134 173174409 /nfs/dbraw/zinc/17/44/09/173174409.db2.gz XDCBICWVVSAIRO-CQSZACIVSA-N 1 0 272.433 2.430 10 0 CEAERO CC(C)[C@@H](NC(=O)C[NH2+]C1CC1)c1ccc(F)cc1 ZINC000037395406 173175691 /nfs/dbraw/zinc/17/56/91/173175691.db2.gz OKZOIOXOLHKYEG-OAHLLOKOSA-N 1 0 264.344 2.391 10 0 CEAERO COc1cc(C[NH2+][C@@H](C)[C@@H]2CCCO2)cc2c1OCCO2 ZINC000037408436 173184573 /nfs/dbraw/zinc/18/45/73/173184573.db2.gz AEBAYTIAMJWCIG-AAEUAGOBSA-N 1 0 293.363 2.124 10 0 CEAERO COc1cc(C[NH2+][C@H](C)[C@@H]2CCCO2)cc2c1OCCO2 ZINC000037408437 173184806 /nfs/dbraw/zinc/18/48/06/173184806.db2.gz AEBAYTIAMJWCIG-YPMHNXCESA-N 1 0 293.363 2.124 10 0 CEAERO CC[C@H]([NH2+]CCCC(=O)OC)c1ccc(O)cc1 ZINC000037416214 173193284 /nfs/dbraw/zinc/19/32/84/173193284.db2.gz CUOXTDVEYOGMMY-ZDUSSCGKSA-N 1 0 251.326 2.386 10 0 CEAERO CCN(CC)c1ncc(C[NH2+]CCCC(=O)OC)s1 ZINC000037416422 173193472 /nfs/dbraw/zinc/19/34/72/173193472.db2.gz TXRFZKORRBNQIT-UHFFFAOYSA-N 1 0 285.413 2.032 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](c2nc3c(cccc3Cl)[nH]2)C1 ZINC000037443843 173211863 /nfs/dbraw/zinc/21/18/63/173211863.db2.gz CCQIBJVIMAXOIU-GMSGAONNSA-N 1 0 251.717 2.266 10 0 CEAERO C[NH2+][C@](C)(C(N)=O)c1ccc(-c2ccccc2)cc1 ZINC000037459066 173223813 /nfs/dbraw/zinc/22/38/13/173223813.db2.gz SCOWKCCVPDJRTA-INIZCTEOSA-N 1 0 254.333 2.274 10 0 CEAERO [NH3+][C@H](Cc1ccccc1Br)c1ncccn1 ZINC000037467216 173226501 /nfs/dbraw/zinc/22/65/01/173226501.db2.gz LNWHOVCJQMBDIO-LLVKDONJSA-N 1 0 278.153 2.482 10 0 CEAERO Cc1ccc(NC(=O)C[C@H](C)[NH3+])c(Br)c1 ZINC000037475709 173228100 /nfs/dbraw/zinc/22/81/00/173228100.db2.gz YFIKFYDQDPFZJR-QMMMGPOBSA-N 1 0 271.158 2.433 10 0 CEAERO C[C@H]([NH3+])CC(=O)N[C@@H](C)c1ccccc1Br ZINC000037476519 173228152 /nfs/dbraw/zinc/22/81/52/173228152.db2.gz LMPBMJLXVBGJCG-IUCAKERBSA-N 1 0 285.185 2.364 10 0 CEAERO CCN(Cc1ccc(Br)s1)C(=O)C[NH2+]C ZINC000037495885 173234735 /nfs/dbraw/zinc/23/47/35/173234735.db2.gz GVJLLRLLAUICDY-UHFFFAOYSA-N 1 0 291.214 2.079 10 0 CEAERO CCC[N@@H+]1CCC[C@H]([C@@H](C)Nc2ccn(C)n2)C1 ZINC000037560337 173270780 /nfs/dbraw/zinc/27/07/80/173270780.db2.gz RTWIKVQTPWYHKS-OLZOCXBDSA-N 1 0 250.390 2.343 10 0 CEAERO O=C(C[NH2+]CC1CC1)Nc1cc2c(cc1Cl)OCO2 ZINC000037612857 173560383 /nfs/dbraw/zinc/56/03/83/173560383.db2.gz WGALIIVYQLDLQD-UHFFFAOYSA-N 1 0 282.727 2.007 10 0 CEAERO CC[NH2+][C@@H](CC)c1ccccc1OCC(=O)OC ZINC000037705237 173626871 /nfs/dbraw/zinc/62/68/71/173626871.db2.gz AHJCOVXQBKAODP-LBPRGKRZSA-N 1 0 251.326 2.299 10 0 CEAERO CC[C@@H]([NH3+])Cc1cccc(OCCCC(=O)OC)c1 ZINC000037726995 173645765 /nfs/dbraw/zinc/64/57/65/173645765.db2.gz DDJQQNWOWFXUES-CYBMUJFWSA-N 1 0 265.353 2.298 10 0 CEAERO CCC(CC)N(CCOC)C(=O)C1CCC([NH3+])CC1 ZINC000037812416 173758504 /nfs/dbraw/zinc/75/85/04/173758504.db2.gz BOESDWURPMQJCZ-UHFFFAOYSA-N 1 0 270.417 2.168 10 0 CEAERO C[C@@]([NH2+]CC1CC1)(C(N)=O)c1ccc(F)c(Cl)c1 ZINC000037952218 173894722 /nfs/dbraw/zinc/89/47/22/173894722.db2.gz MWPIMDKFHYQQBX-ZDUSSCGKSA-N 1 0 270.735 2.179 10 0 CEAERO Cc1cccc(C(=O)N(CC[NH3+])Cc2ccccc2)c1O ZINC000038033059 174029414 /nfs/dbraw/zinc/02/94/14/174029414.db2.gz JORPCLIEDDWCCX-UHFFFAOYSA-N 1 0 284.359 2.302 10 0 CEAERO CCC(CC)NC(=O)[C@H](C)N(CC[NH3+])Cc1ccccc1 ZINC000038033203 174030828 /nfs/dbraw/zinc/03/08/28/174030828.db2.gz OYDFZXSICXAGHJ-AWEZNQCLSA-N 1 0 291.439 2.141 10 0 CEAERO COc1ccc(C[C@H](C)[NH2+]Cc2nc(C)no2)cc1OC ZINC000038034293 174032980 /nfs/dbraw/zinc/03/29/80/174032980.db2.gz SHJIBVIOPZTFLI-JTQLQIEISA-N 1 0 291.351 2.116 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)Cc1c(F)cccc1Cl ZINC000038048744 174059170 /nfs/dbraw/zinc/05/91/70/174059170.db2.gz VCXYZCNDCNZQRE-QWHCGFSZSA-N 1 0 284.762 2.408 10 0 CEAERO CC[C@@H](C)[NH2+][C@@H](C(N)=O)c1ccccc1OC(F)F ZINC000038065002 174075260 /nfs/dbraw/zinc/07/52/60/174075260.db2.gz RDSGFUSZHYYFDX-LDYMZIIASA-N 1 0 272.295 2.203 10 0 CEAERO CC[C@H](C)[NH2+][C@H](C(N)=O)c1ccccc1OC(F)F ZINC000038065001 174075483 /nfs/dbraw/zinc/07/54/83/174075483.db2.gz RDSGFUSZHYYFDX-KWQFWETISA-N 1 0 272.295 2.203 10 0 CEAERO CC[C@@H](C)[NH2+][C@@](C)(C(N)=O)c1cc(C)ccc1OC ZINC000038065610 174076882 /nfs/dbraw/zinc/07/68/82/174076882.db2.gz ACORVHKKNNGZGT-IAQYHMDHSA-N 1 0 264.369 2.092 10 0 CEAERO COC(=O)c1cccc(CN2CC[NH2+][C@H](CC(C)C)C2)c1 ZINC000039952542 174176822 /nfs/dbraw/zinc/17/68/22/174176822.db2.gz WJJYGEGCZKOOBX-MRXNPFEDSA-N 1 0 290.407 2.293 10 0 CEAERO CSCC[C@H]([NH3+])C(=O)N(Cc1cccs1)C1CC1 ZINC000040467318 174275736 /nfs/dbraw/zinc/27/57/36/174275736.db2.gz OQLMVORKXUIYCS-LBPRGKRZSA-N 1 0 284.450 2.320 10 0 CEAERO CCN1CCC[C@H]([NH2+]Cc2ccc3c(c2)OCCO3)C1 ZINC000040502487 174299250 /nfs/dbraw/zinc/29/92/50/174299250.db2.gz KVUCMRGJNYQGGH-AWEZNQCLSA-N 1 0 276.380 2.032 10 0 CEAERO CCOCCCNc1[nH+]c(C)cc(C)c1C(N)=S ZINC000040510129 174304173 /nfs/dbraw/zinc/30/41/73/174304173.db2.gz AVYAYMDHBMMNIW-UHFFFAOYSA-N 1 0 267.398 2.171 10 0 CEAERO CC(C)[N@@H+]1CC[C@H](CN[C@@H]2COc3cc(O)ccc32)C1 ZINC000040621867 174355144 /nfs/dbraw/zinc/35/51/44/174355144.db2.gz SPKPZKKMUKHOBO-IUODEOHRSA-N 1 0 276.380 2.146 10 0 CEAERO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2cccc3ccccc32)C1 ZINC000040629721 174357583 /nfs/dbraw/zinc/35/75/83/174357583.db2.gz PZWDJMGNFUWRCE-SWLSCSKDSA-N 1 0 270.332 2.155 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2ccc(C(C)C)cc2)C1 ZINC000040630238 174357806 /nfs/dbraw/zinc/35/78/06/174357806.db2.gz ZWLZGWPVQPSQHU-KBPBESRZSA-N 1 0 262.353 2.125 10 0 CEAERO Cn1ccnc1CC[NH2+]C1CC(c2ccccc2)C1 ZINC000040639077 174363198 /nfs/dbraw/zinc/36/31/98/174363198.db2.gz DDPSMTKVJYQNPK-UHFFFAOYSA-N 1 0 255.365 2.498 10 0 CEAERO CC[C@H](C)[NH2+][C@@H](C(N)=O)c1cccc(OC(C)C)c1 ZINC000040666556 174366396 /nfs/dbraw/zinc/36/63/96/174366396.db2.gz VFMDHZNDAXKHSO-SMDDNHRTSA-N 1 0 264.369 2.388 10 0 CEAERO C[C@H]1CCC[C@@](C[NH2+][C@@H]2CCCC[C@@H]2O)(N(C)C)C1 ZINC000040669394 174367940 /nfs/dbraw/zinc/36/79/40/174367940.db2.gz CLXKXEXOWISDTA-XUWVNRHRSA-N 1 0 268.445 2.390 10 0 CEAERO C[C@H]1CCC[C@](C[NH2+][C@@H]2CCCC[C@@H]2O)(N(C)C)C1 ZINC000040669398 174368025 /nfs/dbraw/zinc/36/80/25/174368025.db2.gz CLXKXEXOWISDTA-FZKCQIBNSA-N 1 0 268.445 2.390 10 0 CEAERO COC(=O)C[C@H](C)[NH2+]C[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC000040669252 174368040 /nfs/dbraw/zinc/36/80/40/174368040.db2.gz ZDGHGEOGNDTUJO-IPYPFGDCSA-N 1 0 270.417 2.038 10 0 CEAERO C[C@H]([NH2+]C[C@@]1(N(C)C)CCC[C@@H](C)C1)C(=O)NC(C)(C)C ZINC000040669865 174368363 /nfs/dbraw/zinc/36/83/63/174368363.db2.gz UCBSGYADHMOKOR-JKIFEVAISA-N 1 0 297.487 2.390 10 0 CEAERO CCOC1CC[NH+](Cc2cc(N)ccc2OC)CC1 ZINC000040678338 174374196 /nfs/dbraw/zinc/37/41/96/174374196.db2.gz ZFLLPGJJYRQDRS-UHFFFAOYSA-N 1 0 264.369 2.278 10 0 CEAERO CCOC1CC[NH+]([C@@]2(CN)CCCC[C@H]2C)CC1 ZINC000040678813 174374731 /nfs/dbraw/zinc/37/47/31/174374731.db2.gz YVWOOCLIXHANFR-UKRRQHHQSA-N 1 0 254.418 2.395 10 0 CEAERO CCOC1CC[NH+]([C@@]2(CN)CCC[C@@H](C)C2)CC1 ZINC000040689154 174375818 /nfs/dbraw/zinc/37/58/18/174375818.db2.gz UCSYXLSHIZQUOY-HIFRSBDPSA-N 1 0 254.418 2.395 10 0 CEAERO CCOC1CCN([C@H](C[NH3+])c2ccccc2OC)CC1 ZINC000040689122 174376085 /nfs/dbraw/zinc/37/60/85/174376085.db2.gz WBNXEWOIPIYCCH-OAHLLOKOSA-N 1 0 278.396 2.196 10 0 CEAERO Cc1c(C)n([C@H]2CCC[N@@H+](C)C2)c2nc(C)nc(N)c12 ZINC000040716087 174383742 /nfs/dbraw/zinc/38/37/42/174383742.db2.gz XERNSVIQSCOGLN-LBPRGKRZSA-N 1 0 273.384 2.205 10 0 CEAERO C[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2N)C1 ZINC000040716785 174384477 /nfs/dbraw/zinc/38/44/77/174384477.db2.gz CLIFCAJZNLKWDS-VIFPVBQESA-N 1 0 267.760 2.203 10 0 CEAERO O=c1[nH]c(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc2ccccc21 ZINC000040746385 174391347 /nfs/dbraw/zinc/39/13/47/174391347.db2.gz DNMZYRKJSZWJRD-FUNVUKJBSA-N 1 0 269.348 2.223 10 0 CEAERO CN(C(=O)c1cccn1C1CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746640 174392170 /nfs/dbraw/zinc/39/21/70/174392170.db2.gz KYBVJSYZLRSEQU-ONXXMXGDSA-N 1 0 273.380 2.178 10 0 CEAERO CC(C)N1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H](C)Cn1ccnc1 ZINC000040769251 174399510 /nfs/dbraw/zinc/39/95/10/174399510.db2.gz BKCVBIJUJDSNTJ-PMRDEQMMSA-N 1 0 290.455 2.370 10 0 CEAERO O=C(C[NH2+]C1CCCC1)Nc1cccc(-c2nnco2)c1 ZINC000040829182 174411295 /nfs/dbraw/zinc/41/12/95/174411295.db2.gz VJMSJOSIIAPCJF-UHFFFAOYSA-N 1 0 286.335 2.207 10 0 CEAERO COc1ccc(CC[NH3+])c(OCc2ccncc2)c1 ZINC000040904661 174430389 /nfs/dbraw/zinc/43/03/89/174430389.db2.gz PZEJXKRLIQCDHW-UHFFFAOYSA-N 1 0 258.321 2.170 10 0 CEAERO CC(C)([NH3+])c1cn(CCCCc2ccccc2)nn1 ZINC000122315555 414788573 /nfs/dbraw/zinc/78/85/73/414788573.db2.gz BHEXPFMZKSUSON-UHFFFAOYSA-N 1 0 258.369 2.495 10 0 CEAERO CCCN(c1nc(C)cc(C(C)C)n1)[C@H]1CC[NH2+]C1 ZINC000122565454 414788871 /nfs/dbraw/zinc/78/88/71/414788871.db2.gz JVPYFMDOWLAOMD-ZDUSSCGKSA-N 1 0 262.401 2.487 10 0 CEAERO CC(C)([NH3+])c1cn(CCOc2cccc(Cl)c2)nn1 ZINC000070118456 414765130 /nfs/dbraw/zinc/76/51/30/414765130.db2.gz BUEKRNPAXXBPJB-UHFFFAOYSA-N 1 0 280.759 2.204 10 0 CEAERO CC[C@@H]1C[N@H+](C[C@@H](O)COCc2ccccc2)[C@H](C)CO1 ZINC000403847867 414769241 /nfs/dbraw/zinc/76/92/41/414769241.db2.gz RXOIKLHCIBPNBA-DJIMGWMZSA-N 1 0 293.407 2.063 10 0 CEAERO O=C(CC(F)(F)F)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662843809 414770854 /nfs/dbraw/zinc/77/08/54/414770854.db2.gz VDDCJQQBBNKFRY-NSHDSACASA-N 1 0 278.318 2.177 10 0 CEAERO COC(=O)c1ccc(NCC(C)(C)C[NH+](C)C)c(N)c1 ZINC000041080447 174474027 /nfs/dbraw/zinc/47/40/27/174474027.db2.gz NDJVDRGIVMCWAG-UHFFFAOYSA-N 1 0 279.384 2.055 10 0 CEAERO CC(C)Oc1cncc(NCc2ccc(C[NH3+])cc2F)n1 ZINC000071175906 414774533 /nfs/dbraw/zinc/77/45/33/414774533.db2.gz AIKDBOZNHIIZHZ-UHFFFAOYSA-N 1 0 290.342 2.474 10 0 CEAERO Cc1cc(C(C)C)nc(N2CCC[C@@H](CC[NH3+])C2)n1 ZINC000122572715 414789622 /nfs/dbraw/zinc/78/96/22/414789622.db2.gz WJDDDUIPJPUIJZ-ZDUSSCGKSA-N 1 0 262.401 2.474 10 0 CEAERO CC(C)C[NH2+]CCCOc1ccc2c(c1)OCO2 ZINC000041321143 174517661 /nfs/dbraw/zinc/51/76/61/174517661.db2.gz CJRCWFDXFMTLBC-UHFFFAOYSA-N 1 0 251.326 2.430 10 0 CEAERO O[C@@H]1CC[NH2+][C@H](c2ccc(Br)cc2)C1 ZINC000041326349 174522692 /nfs/dbraw/zinc/52/26/92/174522692.db2.gz GRVIFCLXQLJTDN-MNOVXSKESA-N 1 0 256.143 2.235 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H]1CC2CCC1CC2 ZINC000400188674 414747550 /nfs/dbraw/zinc/74/75/50/414747550.db2.gz YFYYJPCXJIGRRK-HOAMVYINSA-N 1 0 252.402 2.302 10 0 CEAERO COc1cc(F)cc(C[NH2+]CC[C@@H]2CCCO2)c1 ZINC000312279333 414865530 /nfs/dbraw/zinc/86/55/30/414865530.db2.gz TUTWTWMEKBHDAN-ZDUSSCGKSA-N 1 0 253.317 2.493 10 0 CEAERO CN(C(=O)c1ccc(Cl)cc1)[C@@H](C[NH3+])C(F)(F)F ZINC000662974974 414815740 /nfs/dbraw/zinc/81/57/40/414815740.db2.gz CHVOYGHSFZZBKU-VIFPVBQESA-N 1 0 280.677 2.302 10 0 CEAERO Cc1ccc(C(=O)N(C)[C@H](C[NH3+])C(F)(F)F)cc1F ZINC000662977986 414816396 /nfs/dbraw/zinc/81/63/96/414816396.db2.gz NFQKKBWMRPGWIV-SNVBAGLBSA-N 1 0 278.249 2.096 10 0 CEAERO CN(C(=O)c1cc(Cl)ccc1F)[C@H](C[NH3+])C(F)(F)F ZINC000662980117 414817177 /nfs/dbraw/zinc/81/71/77/414817177.db2.gz ZVQJGYGLYMCDCD-SECBINFHSA-N 1 0 298.667 2.441 10 0 CEAERO CCc1ccsc1C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662979308 414817255 /nfs/dbraw/zinc/81/72/55/414817255.db2.gz LCEZEFPERSTPSH-QMMMGPOBSA-N 1 0 280.315 2.272 10 0 CEAERO COc1cc(Cl)c(C)cc1NC(=O)C1([NH3+])CCOCC1 ZINC000132057572 414819928 /nfs/dbraw/zinc/81/99/28/414819928.db2.gz GBVVTNLBELTXIH-UHFFFAOYSA-N 1 0 298.770 2.103 10 0 CEAERO CC(C)(C)c1ccccc1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000132826946 414825182 /nfs/dbraw/zinc/82/51/82/414825182.db2.gz HMTQDDMLUBHWME-LBPRGKRZSA-N 1 0 260.381 2.323 10 0 CEAERO c1nc2n(c1C[NH2+][C@@H]1CCOc3ccccc31)CCC2 ZINC000657290872 414836714 /nfs/dbraw/zinc/83/67/14/414836714.db2.gz UVZXSYOJTNDFPZ-CQSZACIVSA-N 1 0 269.348 2.443 10 0 CEAERO CC(C)CC1(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CC1 ZINC000653103150 414906911 /nfs/dbraw/zinc/90/69/11/414906911.db2.gz DJLVNETWSHQWMR-GHMZBOCLSA-N 1 0 292.345 2.327 10 0 CEAERO C[C@@H](NC(=O)C[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000042171230 174651054 /nfs/dbraw/zinc/65/10/54/174651054.db2.gz RRUZPBRVJBNAEU-MFKMUULPSA-N 1 0 250.317 2.145 10 0 CEAERO Cc1c[nH]c(CN[C@@H](C)C[N@H+](C)Cc2ccccc2)n1 ZINC000657429712 414931348 /nfs/dbraw/zinc/93/13/48/414931348.db2.gz ULTFYZLZFMIKLL-AWEZNQCLSA-N 1 0 272.396 2.328 10 0 CEAERO O=S1CCC([NH2+]Cc2nc3ccccc3s2)CC1 ZINC000042336034 174688976 /nfs/dbraw/zinc/68/89/76/174688976.db2.gz PIVRJIFTYUKRQW-UHFFFAOYSA-N 1 0 280.418 2.297 10 0 CEAERO C[C@@H]1CCC[C@@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653067827 414895032 /nfs/dbraw/zinc/89/50/32/414895032.db2.gz MYKVBVUMIWHEKI-GWOFURMSSA-N 1 0 278.318 2.079 10 0 CEAERO C[C@H]1CC[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CC1 ZINC000653087661 414901462 /nfs/dbraw/zinc/90/14/62/414901462.db2.gz BPSOCJLWVSEGQS-GWOFURMSSA-N 1 0 278.318 2.079 10 0 CEAERO C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)[C@@H](C)C1 ZINC000653446400 414997182 /nfs/dbraw/zinc/99/71/82/414997182.db2.gz CCONIENUZLNEDH-ROHXPCBUSA-N 1 0 292.345 2.325 10 0 CEAERO C[C@H]1CCC[C@H](N(C)C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653446031 414997426 /nfs/dbraw/zinc/99/74/26/414997426.db2.gz LCBIYOYLSDXXQT-NNYUYHANSA-N 1 0 292.345 2.421 10 0 CEAERO C[NH2+]Cc1cc(F)ccc1N(CCOC)[C@H](C)COC ZINC000042609312 174822256 /nfs/dbraw/zinc/82/22/56/174822256.db2.gz ORVVDRZDFSTRDM-GFCCVEGCSA-N 1 0 284.375 2.033 10 0 CEAERO CN1C[C@@H](C[NH2+]Cc2cccc3ccccc32)CC1=O ZINC000657693948 415049291 /nfs/dbraw/zinc/04/92/91/415049291.db2.gz HHDKQALCLUFOMI-CYBMUJFWSA-N 1 0 268.360 2.408 10 0 CEAERO Cc1cc(Cl)cc(C[NH2+]C[C@H]2CC(=O)N(C)C2)c1 ZINC000657695645 415050463 /nfs/dbraw/zinc/05/04/63/415050463.db2.gz OBKZJYJVHLLGOE-GFCCVEGCSA-N 1 0 266.772 2.216 10 0 CEAERO CCCOc1ccc(C[NH2+]C[C@H]2CC(=O)N(C)C2)cc1 ZINC000657694620 415051136 /nfs/dbraw/zinc/05/11/36/415051136.db2.gz NOUQZFYTKZNDSK-CQSZACIVSA-N 1 0 276.380 2.043 10 0 CEAERO CC(C)Oc1ccc(C[NH2+]C[C@@H]2CC(=O)N(C)C2)cc1 ZINC000657696917 415052152 /nfs/dbraw/zinc/05/21/52/415052152.db2.gz LWQRUEGEKUXRII-AWEZNQCLSA-N 1 0 276.380 2.042 10 0 CEAERO Cn1nccc1[C@@H]1OCCC[C@H]1C[NH2+]Cc1cc[nH]c1 ZINC000657721318 415062304 /nfs/dbraw/zinc/06/23/04/415062304.db2.gz RMLDKRGTKLRUDU-DZGCQCFKSA-N 1 0 274.368 2.006 10 0 CEAERO CC[C@H]([NH3+])Cc1cc2c(cc1OCCCOC)OCO2 ZINC000042878914 174901536 /nfs/dbraw/zinc/90/15/36/174901536.db2.gz KAQNYUQWISBVEV-LBPRGKRZSA-N 1 0 281.352 2.110 10 0 CEAERO Cn1cnnc1S[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000042950317 174923508 /nfs/dbraw/zinc/92/35/08/174923508.db2.gz YEFAJPDSLRILBH-SNVBAGLBSA-N 1 0 268.773 2.261 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1cccc(F)c1)N(CCOC)CCOC ZINC000042971924 174934880 /nfs/dbraw/zinc/93/48/80/174934880.db2.gz BJBMGGNLKMNFLE-HOTGVXAUSA-N 1 0 298.402 2.199 10 0 CEAERO COc1cccc([C@H](C[NH3+])n2nc(C)c(C)c2C)c1 ZINC000043028937 174948205 /nfs/dbraw/zinc/94/82/05/174948205.db2.gz UOZGDWMWMPBSRF-HNNXBMFYSA-N 1 0 259.353 2.365 10 0 CEAERO CON(C)[C@@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043092256 174963991 /nfs/dbraw/zinc/96/39/91/174963991.db2.gz CFKNJLKNAHZGML-LDYMZIIASA-N 1 0 273.174 2.331 10 0 CEAERO C[NH2+][C@@H](c1c(C)cc(C)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000043300640 175001341 /nfs/dbraw/zinc/00/13/41/175001341.db2.gz NIYFPKJKWMNLMQ-DZGCQCFKSA-N 1 0 281.421 2.307 10 0 CEAERO C[NH2+][C@@H](c1ccc(OC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043300711 175001642 /nfs/dbraw/zinc/00/16/42/175001642.db2.gz DWAFASZVPPBHGO-ZFWWWQNUSA-N 1 0 297.420 2.169 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)Nc1cc(OC)ccc1Cl ZINC000043318632 175005706 /nfs/dbraw/zinc/00/57/06/175005706.db2.gz KKLGFHRGHMUXSQ-SNVBAGLBSA-N 1 0 256.733 2.415 10 0 CEAERO Cc1c(F)cccc1NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000043322084 175006088 /nfs/dbraw/zinc/00/60/88/175006088.db2.gz AELORXRYPDGCHE-AWEZNQCLSA-N 1 0 288.322 2.348 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccco1)N(CCO)C1CCCC1 ZINC000043336149 175011653 /nfs/dbraw/zinc/01/16/53/175011653.db2.gz HHBJEPIOAIPKGD-DZGCQCFKSA-N 1 0 266.385 2.295 10 0 CEAERO CCOC1CCN([C@@H](c2ccccn2)[C@@H]([NH3+])CC)CC1 ZINC000043339695 175013957 /nfs/dbraw/zinc/01/39/57/175013957.db2.gz FOLUUDUGQFUADP-GOEBONIOSA-N 1 0 277.412 2.361 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1cnn(C)c1)c1ccccn1 ZINC000043345368 175016826 /nfs/dbraw/zinc/01/68/26/175016826.db2.gz LRJNEGIBWQCKFW-DGCLKSJQSA-N 1 0 262.382 2.386 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1cccnc1)N(C)C[C@@H]1CCCCO1 ZINC000043347542 175018191 /nfs/dbraw/zinc/01/81/91/175018191.db2.gz NOWNOIRJQDPEPP-HRCADAONSA-N 1 0 277.412 2.361 10 0 CEAERO COCCN([C@H](C)C1CC1)[C@@H](c1cccnc1)[C@@H](C)[NH3+] ZINC000043348488 175018586 /nfs/dbraw/zinc/01/85/86/175018586.db2.gz UPBKWCKSVCWFBX-XJKCOSOUSA-N 1 0 277.412 2.217 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1cccnc1)N(C)Cc1cscn1 ZINC000043348656 175018853 /nfs/dbraw/zinc/01/88/53/175018853.db2.gz WMWJPUGUYGJFAW-MFKMUULPSA-N 1 0 262.382 2.058 10 0 CEAERO CC[C@H]([NH3+])[C@H](Oc1ccccc1C(N)=O)c1cccnc1 ZINC000043350397 175019902 /nfs/dbraw/zinc/01/99/02/175019902.db2.gz HKBOXFUUWAWCLK-DZGCQCFKSA-N 1 0 285.347 2.038 10 0 CEAERO COc1cccc(CN(C)[C@@H](C[NH3+])c2ccncc2)c1 ZINC000043354033 175021409 /nfs/dbraw/zinc/02/14/09/175021409.db2.gz CMYIGXMWMBNSBW-INIZCTEOSA-N 1 0 271.364 2.222 10 0 CEAERO CCC(CC)N(CCO)[C@H](c1ccncc1)[C@H]([NH3+])CC ZINC000043354608 175022416 /nfs/dbraw/zinc/02/24/16/175022416.db2.gz VWEMRSTVOURIAY-HZPDHXFCSA-N 1 0 279.428 2.343 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1ccncc1)n1cnc2ccccc21 ZINC000043354909 175022946 /nfs/dbraw/zinc/02/29/46/175022946.db2.gz CGSWBENECHXFCX-NHYWBVRUSA-N 1 0 252.321 2.368 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1ccncc1)n1ccc(C(F)(F)F)n1 ZINC000043355037 175023152 /nfs/dbraw/zinc/02/31/52/175023152.db2.gz BDWZBLFHLTYBRP-KWQFWETISA-N 1 0 270.258 2.234 10 0 CEAERO Cc1ccc([C@H]([C@@H](C)[NH3+])N2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000043363671 175024220 /nfs/dbraw/zinc/02/42/20/175024220.db2.gz ZPGUZNUGBZIOPP-CZXHOFHRSA-N 1 0 252.358 2.086 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)N(CC)CC(=O)NC(C)C ZINC000043364987 175025297 /nfs/dbraw/zinc/02/52/97/175025297.db2.gz BNJATFIBMKIPRS-CJNGLKHVSA-N 1 0 295.427 2.213 10 0 CEAERO Cc1ccc([C@@H]([C@@H](C)[NH3+])N(C)C[C@@H]2CCCCO2)o1 ZINC000043364768 175025370 /nfs/dbraw/zinc/02/53/70/175025370.db2.gz KQUSRMTULMPPEA-VNHYZAJKSA-N 1 0 266.385 2.477 10 0 CEAERO Cc1ccc([C@H]([C@@H](C)[NH3+])N(C)C[C@@H]2CCCCO2)o1 ZINC000043364769 175025585 /nfs/dbraw/zinc/02/55/85/175025585.db2.gz KQUSRMTULMPPEA-IPYPFGDCSA-N 1 0 266.385 2.477 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)N(CCCOC)CCOC ZINC000043365047 175026757 /nfs/dbraw/zinc/02/67/57/175026757.db2.gz QZYWNQLVWRWZSP-ZBFHGGJFSA-N 1 0 298.427 2.351 10 0 CEAERO Cc1ccc([C@@H](Oc2ccc(C(N)=O)cc2)[C@H](C)[NH3+])o1 ZINC000043366660 175027132 /nfs/dbraw/zinc/02/71/32/175027132.db2.gz XPOUIQCAKSXZFF-HZMBPMFUSA-N 1 0 274.320 2.154 10 0 CEAERO CC[C@@H]([NH3+])[C@H](N(CC)C[C@@H]1CCCO1)C(F)(F)F ZINC000043378377 175030446 /nfs/dbraw/zinc/03/04/46/175030446.db2.gz KUKPVMAAANZKLP-AXFHLTTASA-N 1 0 268.323 2.156 10 0 CEAERO C[C@H]([NH3+])[C@H](OCCOc1ccccc1)C(F)(F)F ZINC000043384170 175031141 /nfs/dbraw/zinc/03/11/41/175031141.db2.gz LQZVUMBHJDWDHJ-ONGXEEELSA-N 1 0 263.259 2.360 10 0 CEAERO CC[C@H]([NH3+])[C@@H](OC[C@@H]1CCCCO1)C(F)(F)F ZINC000043384317 175031663 /nfs/dbraw/zinc/03/16/63/175031663.db2.gz CIKXFDDMUSPYDR-LPEHRKFASA-N 1 0 255.280 2.240 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1cnn(C)c1)C(F)(F)F ZINC000043386499 175031937 /nfs/dbraw/zinc/03/19/37/175031937.db2.gz CICXGPLQYQJTMY-YUMQZZPRSA-N 1 0 253.293 2.180 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1cnn(C)c1)C(F)(F)F ZINC000043386504 175032043 /nfs/dbraw/zinc/03/20/43/175032043.db2.gz CICXGPLQYQJTMY-HTQZYQBOSA-N 1 0 253.293 2.180 10 0 CEAERO COC1CCN([C@H](C[NH3+])c2cc(C)cc(C)c2)CC1 ZINC000043394070 175034724 /nfs/dbraw/zinc/03/47/24/175034724.db2.gz QCESUBBSNPZWEC-MRXNPFEDSA-N 1 0 262.397 2.414 10 0 CEAERO CCOC(=O)[C@@H](c1cc(C)cc(C)c1)N1CCC[NH2+]CC1 ZINC000043394894 175035574 /nfs/dbraw/zinc/03/55/74/175035574.db2.gz RLTMVDVIGPTSHC-MRXNPFEDSA-N 1 0 290.407 2.203 10 0 CEAERO C[NH2+]CCC(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000043604231 175078090 /nfs/dbraw/zinc/07/80/90/175078090.db2.gz XJUYQZIGUYGFGC-SECBINFHSA-N 1 0 274.286 2.492 10 0 CEAERO CCC[NH2+][C@@H]1CCCCC[C@@H]1[C@@H]1CCS(=O)(=O)C1 ZINC000043651130 175085473 /nfs/dbraw/zinc/08/54/73/175085473.db2.gz VEYJTQJYZRPCQG-MGPQQGTHSA-N 1 0 273.442 2.370 10 0 CEAERO C[NH2+][C@H](CN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1C ZINC000043811366 175110014 /nfs/dbraw/zinc/11/00/14/175110014.db2.gz KYVWPSKJCPJADB-IJEWVQPXSA-N 1 0 262.397 2.365 10 0 CEAERO C[NH2+][C@@H](CN(C)C(C)C)c1cc(OC)ccc1OC ZINC000043813117 175110624 /nfs/dbraw/zinc/11/06/24/175110624.db2.gz OXOQGMNXMBUVBN-AWEZNQCLSA-N 1 0 266.385 2.305 10 0 CEAERO C[NH2+][C@H](CN1CCCCC1)c1ccc(OC)c(OC)c1 ZINC000043814061 175111958 /nfs/dbraw/zinc/11/19/58/175111958.db2.gz SZGNKSVHMMRCFO-CQSZACIVSA-N 1 0 278.396 2.450 10 0 CEAERO C[NH2+][C@H]1c2ccccc2C[C@H]1N(C)CCc1ccccn1 ZINC000043818741 175113705 /nfs/dbraw/zinc/11/37/05/175113705.db2.gz YLARRUOZXCRUFE-MSOLQXFVSA-N 1 0 281.403 2.441 10 0 CEAERO CCC[NH2+][C@@H]1CCC2(C[C@@H]1N(CC)C(C)C)OCCO2 ZINC000043883147 175116205 /nfs/dbraw/zinc/11/62/05/175116205.db2.gz RJWWRHPEQDFIRY-CABCVRRESA-N 1 0 284.444 2.381 10 0 CEAERO CCCN(C)C[C@@H]([NH2+]C)c1cc(OC)ccc1OC ZINC000043885883 175116741 /nfs/dbraw/zinc/11/67/41/175116741.db2.gz KLDLZUMQZNMYAB-CQSZACIVSA-N 1 0 266.385 2.306 10 0 CEAERO C[NH2+][C@H](CN1CCC(OC)CC1)c1ccc(OC)cc1 ZINC000043889960 175117513 /nfs/dbraw/zinc/11/75/13/175117513.db2.gz SHKOOPMNDSRISU-MRXNPFEDSA-N 1 0 278.396 2.067 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2OC[C@H]1N1CCC(OC)CC1 ZINC000043890282 175118142 /nfs/dbraw/zinc/11/81/42/175118142.db2.gz CTCFTMJINUBHIK-NVXWUHKLSA-N 1 0 290.407 2.209 10 0 CEAERO CC[NH2+][C@@H](CN1CCC(OC)CC1)c1ccc(OC)cc1 ZINC000043890209 175118165 /nfs/dbraw/zinc/11/81/65/175118165.db2.gz CYGPJNACIVWJNG-KRWDZBQOSA-N 1 0 292.423 2.457 10 0 CEAERO CC[NH2+][C@H]1CCCCC[C@H]1N1CCO[C@@H](CC)C1 ZINC000043893033 175118420 /nfs/dbraw/zinc/11/84/20/175118420.db2.gz DLTLUGLIRKSFEB-SOUVJXGZSA-N 1 0 254.418 2.408 10 0 CEAERO C[NH2+][C@H]1c2ccccc2OC[C@@H]1N(C)Cc1ccncc1 ZINC000043893954 175119333 /nfs/dbraw/zinc/11/93/33/175119333.db2.gz QYLWRZWLSOLVTC-RDJZCZTQSA-N 1 0 283.375 2.235 10 0 CEAERO C[NH2+][C@H](CN1CCOC(C)(C)C1)c1ccccc1C ZINC000043897679 175120796 /nfs/dbraw/zinc/12/07/96/175120796.db2.gz QRQDRWVPISLRLN-OAHLLOKOSA-N 1 0 262.397 2.366 10 0 CEAERO CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N(C)C1CCOCC1 ZINC000043898354 175120898 /nfs/dbraw/zinc/12/08/98/175120898.db2.gz OSAJRWUXDROQBR-YUELXQCFSA-N 1 0 254.418 2.264 10 0 CEAERO C[NH2+][C@@H]1CCCCCC[C@H]1N(C)C1CCOCC1 ZINC000043898147 175121069 /nfs/dbraw/zinc/12/10/69/175121069.db2.gz ZBZIASGUDIVLPC-HUUCEWRRSA-N 1 0 254.418 2.408 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2C[C@@H]1N(C)C1CCOCC1 ZINC000043898415 175121138 /nfs/dbraw/zinc/12/11/38/175121138.db2.gz AJDSOEVYDSOEBZ-IRXDYDNUSA-N 1 0 274.408 2.373 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2OC[C@H]1N1CCOC[C@@H]1CC ZINC000043899261 175121846 /nfs/dbraw/zinc/12/18/46/175121846.db2.gz YWTMHFPXOWYTRF-LXZKKBNFSA-N 1 0 290.407 2.209 10 0 CEAERO C[NH2+][C@@H](CN(C)CCOC)c1c(C)cc(C)cc1C ZINC000043915435 175125026 /nfs/dbraw/zinc/12/50/26/175125026.db2.gz JAPYQYMGUXHMNK-HNNXBMFYSA-N 1 0 264.413 2.451 10 0 CEAERO CC[NH2+][C@@H](CN1CCOCC1(C)C)c1ccccc1OC ZINC000043916979 175125550 /nfs/dbraw/zinc/12/55/50/175125550.db2.gz XEIIFXQPYNIUKQ-HNNXBMFYSA-N 1 0 292.423 2.457 10 0 CEAERO CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N(C)C[C@@H]1CCCO1 ZINC000043966035 175126961 /nfs/dbraw/zinc/12/69/61/175126961.db2.gz FTZVJIFIQSVXSN-BARDWOONSA-N 1 0 254.418 2.264 10 0 CEAERO CC[NH2+][C@H](CN(C)Cc1cnn(C)c1)c1ccccc1 ZINC000043967224 175128352 /nfs/dbraw/zinc/12/83/52/175128352.db2.gz XUDYSVKKIXKCPM-MRXNPFEDSA-N 1 0 272.396 2.203 10 0 CEAERO CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N(C)Cc1cnn(C)c1 ZINC000043967291 175128658 /nfs/dbraw/zinc/12/86/58/175128658.db2.gz LBBQHMLIZHPZAY-IMJJTQAJSA-N 1 0 278.444 2.409 10 0 CEAERO CC[NH2+][C@H]1CCOC[C@H]1N(C)CC1CCCCC1 ZINC000043968286 175129708 /nfs/dbraw/zinc/12/97/08/175129708.db2.gz BLOUQTBJRFTCFU-LSDHHAIUSA-N 1 0 254.418 2.266 10 0 CEAERO CC[NH2+][C@@H](CN(C)[C@@H](C)COC)c1ccc(OC)cc1 ZINC000043969207 175130307 /nfs/dbraw/zinc/13/03/07/175130307.db2.gz WYEGPXCLEBSDCT-BBRMVZONSA-N 1 0 280.412 2.313 10 0 CEAERO CC[NH2+][C@H](CN(C)[C@@H](C)COC)c1ccccc1OC ZINC000043969190 175130583 /nfs/dbraw/zinc/13/05/83/175130583.db2.gz YWJUQOJBLJLSHO-DZGCQCFKSA-N 1 0 280.412 2.313 10 0 CEAERO COC(=O)[C@@H](CC(C)C)n1c(N)[nH+]c2ccccc21 ZINC000044421215 175173917 /nfs/dbraw/zinc/17/39/17/175173917.db2.gz FLCUMESZVSMBSJ-GFCCVEGCSA-N 1 0 261.325 2.379 10 0 CEAERO Cn1ccnc1COc1ccc2c(c1)CCC[C@@H]2[NH3+] ZINC000044732480 175241170 /nfs/dbraw/zinc/24/11/70/175241170.db2.gz SHTMZWLGVFCUAH-AWEZNQCLSA-N 1 0 257.337 2.335 10 0 CEAERO C[NH2+][C@H]1CCCc2cc(O[C@@H](C)C(=O)OC)ccc21 ZINC000044745095 175241484 /nfs/dbraw/zinc/24/14/84/175241484.db2.gz INMHYNBJXZAXHU-HZMBPMFUSA-N 1 0 263.337 2.224 10 0 CEAERO C[NH2+][C@H]1CCCc2cc(O[C@@H](C)C(=O)NC3CC3)ccc21 ZINC000044745309 175241634 /nfs/dbraw/zinc/24/16/34/175241634.db2.gz ICYMUSNZNFWRAD-ZBEGNZNMSA-N 1 0 288.391 2.329 10 0 CEAERO CC[C@@H](C)NC(=O)COc1ccc2c(c1)CCC[C@H]2[NH3+] ZINC000044745047 175241695 /nfs/dbraw/zinc/24/16/95/175241695.db2.gz BQTBOTVCRRRTLN-IAQYHMDHSA-N 1 0 276.380 2.316 10 0 CEAERO C[NH2+][C@H]1CCCc2cc(OCC(=O)N3CCCC3)ccc21 ZINC000044745376 175242035 /nfs/dbraw/zinc/24/20/35/175242035.db2.gz XOAFELZNXKNASG-INIZCTEOSA-N 1 0 288.391 2.285 10 0 CEAERO Oc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CN2CCC1CC2 ZINC000044746747 175242467 /nfs/dbraw/zinc/24/24/67/175242467.db2.gz UCDOBEQVUFGYQA-IAGOWNOFSA-N 1 0 272.392 2.453 10 0 CEAERO Cn1cc(C[NH2+][C@H]2CCCc3cc(O)ccc32)cn1 ZINC000044747499 175243184 /nfs/dbraw/zinc/24/31/84/175243184.db2.gz CIGYUYBHIPJYBW-HNNXBMFYSA-N 1 0 257.337 2.293 10 0 CEAERO Cc1cc(N)ccc1C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000044748973 175244278 /nfs/dbraw/zinc/24/42/78/175244278.db2.gz UPRJADBHPHRCOU-CYBMUJFWSA-N 1 0 275.396 2.037 10 0 CEAERO CCCCN(CCCC)C(=O)C1(C[NH3+])CCOCC1 ZINC000044762382 175246746 /nfs/dbraw/zinc/24/67/46/175246746.db2.gz OKQUBOFRLPQCRX-UHFFFAOYSA-N 1 0 270.417 2.171 10 0 CEAERO COc1ccccc1NC(=O)[C@H](C[NH3+])Cc1ccccc1 ZINC000044797565 175254582 /nfs/dbraw/zinc/25/45/82/175254582.db2.gz AVSUBHNSEBTAMY-AWEZNQCLSA-N 1 0 284.359 2.451 10 0 CEAERO CC(C)[C@@H](C[NH3+])C(=O)Nc1cccc2cnccc21 ZINC000044802595 175255992 /nfs/dbraw/zinc/25/59/92/175255992.db2.gz AUQNHGRYASMSEM-CYBMUJFWSA-N 1 0 257.337 2.404 10 0 CEAERO CC[C@H]1CCCN1C(=O)[C@H](C[NH3+])Cc1ccccc1 ZINC000044803286 175256066 /nfs/dbraw/zinc/25/60/66/175256066.db2.gz AADORWSRBHIIOB-GJZGRUSLSA-N 1 0 260.381 2.205 10 0 CEAERO CC(C)CN(C(=O)[C@@H](C[NH3+])Cc1ccccc1)C1CC1 ZINC000044807567 175257072 /nfs/dbraw/zinc/25/70/72/175257072.db2.gz BGOYPOOFPQYMTN-OAHLLOKOSA-N 1 0 274.408 2.451 10 0 CEAERO COC(=O)c1cc(N)ccc1NC[C@@H](C)[NH+]1CCCCC1 ZINC000045015614 175290993 /nfs/dbraw/zinc/29/09/93/175290993.db2.gz VEAIXIIRQRSEHE-GFCCVEGCSA-N 1 0 291.395 2.342 10 0 CEAERO COCC[C@@](C)(C[NH3+])N(Cc1ccsc1)C1CC1 ZINC000045043485 175295451 /nfs/dbraw/zinc/29/54/51/175295451.db2.gz FOSKWFJWOYKQTE-AWEZNQCLSA-N 1 0 268.426 2.466 10 0 CEAERO CC[NH2+][C@H]1CCC2(C[C@@H]1N(C)CC(C)(C)C)OCCO2 ZINC000045072718 175302151 /nfs/dbraw/zinc/30/21/51/175302151.db2.gz FPQYFEBVRZSDHY-KBPBESRZSA-N 1 0 284.444 2.238 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](CN2CCC[C@@H]2C2CCCC2)C1 ZINC000045089774 175304681 /nfs/dbraw/zinc/30/46/81/175304681.db2.gz RLPABYQAXXWJLH-SOUVJXGZSA-N 1 0 252.402 2.018 10 0 CEAERO CCn1nc(C)c(-c2c[nH]c(CC[NH2+]C(C)C)n2)c1C ZINC000045169514 175320083 /nfs/dbraw/zinc/32/00/83/175320083.db2.gz KXXMOVXNUFLOFV-UHFFFAOYSA-N 1 0 275.400 2.450 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]CCCn2ccnc2)c1C ZINC000045169213 175320103 /nfs/dbraw/zinc/32/01/03/175320103.db2.gz DXWVEDGHEDWIDL-LBPRGKRZSA-N 1 0 275.400 2.457 10 0 CEAERO CCN(C[C@@](C)([NH2+]C)C(N)=O)c1cccc2ccccc21 ZINC000045222929 175330894 /nfs/dbraw/zinc/33/08/94/175330894.db2.gz YYQOKQPSYOGRQD-QGZVFWFLSA-N 1 0 285.391 2.130 10 0 CEAERO CN[C@](C)(C[NH+](C1CCCCC1)C1CCCCC1)C(N)=O ZINC000045222787 175330998 /nfs/dbraw/zinc/33/09/98/175330998.db2.gz CQFUVTBHLLQIQY-QGZVFWFLSA-N 1 0 295.471 2.417 10 0 CEAERO CCCC[N@H+](C)CC[C@](C)(NC(C)C)C(=O)OC ZINC000045222225 175331034 /nfs/dbraw/zinc/33/10/34/175331034.db2.gz AGQRQAXCZWZMQO-AWEZNQCLSA-N 1 0 258.406 2.038 10 0 CEAERO CCCC[N@H+](CC)CC[C@@](C)([NH2+]CCC)C(=O)[O-] ZINC000045223348 175331512 /nfs/dbraw/zinc/33/15/12/175331512.db2.gz MQLRPWXUSUKHEW-CQSZACIVSA-N 1 0 258.406 2.341 10 0 CEAERO CC[N@H+](CC[C@@](C)(NC)C(=O)OC)C1CCCCC1 ZINC000045224130 175332278 /nfs/dbraw/zinc/33/22/78/175332278.db2.gz XVMJGWZHEBKLNR-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO COC(=O)[C@@](C)(CC[NH+]1CCCCCC1)NC(C)C ZINC000045228928 175333989 /nfs/dbraw/zinc/33/39/89/175333989.db2.gz DRVQPZUOGHIRDI-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CCN[C@@](C)(CC[NH+]1CCCCCC1)C(=O)OCC ZINC000045228899 175334035 /nfs/dbraw/zinc/33/40/35/175334035.db2.gz VRSUMNDKZGOQBP-HNNXBMFYSA-N 1 0 270.417 2.184 10 0 CEAERO CCC[NH2+][C@@](C)(CC[NH+]1[C@@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000045231865 175335826 /nfs/dbraw/zinc/33/58/26/175335826.db2.gz FUSOXYJGYXOKBH-YDHLFZDLSA-N 1 0 270.417 2.482 10 0 CEAERO CCCN[C@@](C)(C[N@H+](CC)[C@@H](C)CC)C(=O)OCC ZINC000045266456 175338931 /nfs/dbraw/zinc/33/89/31/175338931.db2.gz NLHOFXAMFWLHRH-ZFWWWQNUSA-N 1 0 272.433 2.428 10 0 CEAERO CCOC(=O)[C@](C)(C[N@H+](C)C1CCCC1)NC(C)C ZINC000045266183 175339058 /nfs/dbraw/zinc/33/90/58/175339058.db2.gz FTTYGCVHKWGBCS-HNNXBMFYSA-N 1 0 270.417 2.181 10 0 CEAERO CCC[N@H+](CC[C@@](C)([NH2+]C1CC1)C(=O)[O-])C(C)C ZINC000045266884 175339325 /nfs/dbraw/zinc/33/93/25/175339325.db2.gz MNVINPXIWPDUPJ-CQSZACIVSA-N 1 0 256.390 2.092 10 0 CEAERO CCOC(=O)[C@](C)(C[N@H+](CC)C1CCCC1)NC1CC1 ZINC000045269250 175341040 /nfs/dbraw/zinc/34/10/40/175341040.db2.gz GVZGEYIHLWMRKN-INIZCTEOSA-N 1 0 282.428 2.325 10 0 CEAERO CCCN[C@](C)(CC[N@H+](C)C1CCCCCC1)C(N)=O ZINC000045272009 175342544 /nfs/dbraw/zinc/34/25/44/175342544.db2.gz TXACZSKOYQYUJT-MRXNPFEDSA-N 1 0 283.460 2.275 10 0 CEAERO CC(C)N[C@@](C)(CC[N@H+](C)C1CCCCCC1)C(N)=O ZINC000045272015 175343477 /nfs/dbraw/zinc/34/34/77/175343477.db2.gz ZEUVRHPIVATGHI-INIZCTEOSA-N 1 0 283.460 2.273 10 0 CEAERO CCOC(=O)[C@@](C)(CC[N@H+](C)CC1CC1)NC(C)C ZINC000045273095 175343884 /nfs/dbraw/zinc/34/38/84/175343884.db2.gz VCCQBQOUSZWGRR-OAHLLOKOSA-N 1 0 270.417 2.038 10 0 CEAERO CCN[C@](C)(C[N@H+](C)[C@@H]1CCCC[C@@H]1C)C(=O)OC ZINC000045279013 175349264 /nfs/dbraw/zinc/34/92/64/175349264.db2.gz VZUXCTXVIUZOET-GZBFAFLISA-N 1 0 270.417 2.038 10 0 CEAERO CCN[C@@](C)(CC[N@H+](C)[C@@H]1CCCC[C@@H]1C)C(=O)OC ZINC000045279117 175349370 /nfs/dbraw/zinc/34/93/70/175349370.db2.gz ZHLCLYICBMLWOY-LZWOXQAQSA-N 1 0 284.444 2.428 10 0 CEAERO COC(=O)[C@@](N)(C[N@H+](CC1CC1)C(C)C)c1ccccc1 ZINC000045280926 175350656 /nfs/dbraw/zinc/35/06/56/175350656.db2.gz KAALASOPXBHUPO-QGZVFWFLSA-N 1 0 290.407 2.134 10 0 CEAERO CCN[C@](C)(CC[N@H+](CC1CC1)C(C)C)C(=O)OC ZINC000045281039 175351234 /nfs/dbraw/zinc/35/12/34/175351234.db2.gz ADVWXPHEPGVUFA-OAHLLOKOSA-N 1 0 270.417 2.038 10 0 CEAERO CCC[NH2+][C@](C)(CCC[N@@H+]1CCC[C@@H]1CC)C(=O)[O-] ZINC000045367458 175363389 /nfs/dbraw/zinc/36/33/89/175363389.db2.gz MUGKUEBXUBTFBC-DZGCQCFKSA-N 1 0 270.417 2.484 10 0 CEAERO C[C@@]([NH3+])(CCCC[NH+]1CCCCCCC1)C(=O)[O-] ZINC000045371123 175364226 /nfs/dbraw/zinc/36/42/26/175364226.db2.gz MLHMYMGNBAIVQF-CQSZACIVSA-N 1 0 256.390 2.225 10 0 CEAERO COC(=O)[C@](C)([NH3+])CCCCN(C)c1ccccc1 ZINC000045376539 175366976 /nfs/dbraw/zinc/36/69/76/175366976.db2.gz XLFCOILQJMHVOR-OAHLLOKOSA-N 1 0 264.369 2.184 10 0 CEAERO CCC[NH2+][C@](C)(CCC[NH+]1CCCCC1)C(=O)[O-] ZINC000045378306 175367720 /nfs/dbraw/zinc/36/77/20/175367720.db2.gz ARRVXLVGMGENGI-CQSZACIVSA-N 1 0 256.390 2.095 10 0 CEAERO CCN[C@@](C)(CCC[NH+]1CCCCC1)C(=O)OCC ZINC000045378341 175367798 /nfs/dbraw/zinc/36/77/98/175367798.db2.gz AINUZQZJLMNAQR-HNNXBMFYSA-N 1 0 270.417 2.184 10 0 CEAERO CC[NH2+][C@@](C)(CCC[N@@H+]1CCc2ccccc2C1)C(=O)[O-] ZINC000045378771 175368546 /nfs/dbraw/zinc/36/85/46/175368546.db2.gz CJROJGSSRYBNMM-KRWDZBQOSA-N 1 0 290.407 2.278 10 0 CEAERO CC[N@H+](CCC[C@@](C)([NH2+]C1CC1)C(=O)[O-])CC(C)C ZINC000045381779 175370484 /nfs/dbraw/zinc/37/04/84/175370484.db2.gz VIWHKXXDFSEMQT-OAHLLOKOSA-N 1 0 270.417 2.340 10 0 CEAERO CC[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1ccccc1F ZINC000658240038 415272916 /nfs/dbraw/zinc/27/29/16/415272916.db2.gz PHGAMAIUWUNRKZ-BXUZGUMPSA-N 1 0 264.344 2.345 10 0 CEAERO COc1ccc([C@@H](C)[NH2+]C2CC(CO)C2)c(F)c1 ZINC000658351591 415334424 /nfs/dbraw/zinc/33/44/24/415334424.db2.gz PBDMMEJTNAFGFB-KPPDAEKUSA-N 1 0 253.317 2.256 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]C2CC(CO)C2)C12CCCC2 ZINC000658354932 415337206 /nfs/dbraw/zinc/33/72/06/415337206.db2.gz FLISYTDACZXDEF-NWINJMCUSA-N 1 0 253.386 2.085 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC4(CC4)C3)C[C@H]12 ZINC000659301869 415500897 /nfs/dbraw/zinc/50/08/97/415500897.db2.gz FIIQHYHNJFHAGA-YIYPIFLZSA-N 1 0 262.397 2.153 10 0 CEAERO C[C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C[C@@H](C)C1 ZINC000659342241 415531408 /nfs/dbraw/zinc/53/14/08/415531408.db2.gz DLCFOSXCDDHELN-MBJXGIAVSA-N 1 0 252.402 2.302 10 0 CEAERO CC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000659387269 415557486 /nfs/dbraw/zinc/55/74/86/415557486.db2.gz YDFWXZSHANUUPL-URSGVKGYSA-N 1 0 250.386 2.151 10 0 CEAERO CN(CC[C@@H]1CCCC[NH2+]1)C(=O)[C@H]1COc2ccccc21 ZINC000070392000 175906876 /nfs/dbraw/zinc/90/68/76/175906876.db2.gz PAHPHMSTMZXIKU-ZFWWWQNUSA-N 1 0 288.391 2.153 10 0 CEAERO COCC[NH2+]C[C@H](CCOCCOC)Cc1ccccc1 ZINC000070483305 175953740 /nfs/dbraw/zinc/95/37/40/175953740.db2.gz KJDUZEFKBWGGEW-QGZVFWFLSA-N 1 0 295.423 2.134 10 0 CEAERO Cc1nnc(N(CC2CC2)CC2CC2)c(C(N)=[NH2+])c1C ZINC000070505545 175959046 /nfs/dbraw/zinc/95/90/46/175959046.db2.gz JELXZNUMZNEXJD-UHFFFAOYSA-N 1 0 273.384 2.004 10 0 CEAERO CCC[NH2+][C@@](C)(CO)CCN1CCc2ccccc2C1 ZINC000070512965 175962000 /nfs/dbraw/zinc/96/20/00/175962000.db2.gz ACANKSKBWBKEDZ-QGZVFWFLSA-N 1 0 276.424 2.185 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCCCOc1ccc(CO)cc1 ZINC000070516762 175965526 /nfs/dbraw/zinc/96/55/26/175965526.db2.gz IDBROZDQEZEOMM-MRXNPFEDSA-N 1 0 281.396 2.089 10 0 CEAERO COc1ccc2[nH]c(S[C@H](C)C[C@@](C)(O)C[NH3+])nc2c1 ZINC000070522128 175967862 /nfs/dbraw/zinc/96/78/62/175967862.db2.gz WXANQWXVHLAWFY-YMTOWFKASA-N 1 0 295.408 2.152 10 0 CEAERO CC[NH2+][C@H](CC1CC1)c1ccc2c(c1)C(=O)NCC2 ZINC000070536674 175975835 /nfs/dbraw/zinc/97/58/35/175975835.db2.gz FEJZTQAFBUKWDE-OAHLLOKOSA-N 1 0 258.365 2.423 10 0 CEAERO [NH3+]CCc1ccccc1-c1nc(CC(F)(F)F)no1 ZINC000070541264 175976967 /nfs/dbraw/zinc/97/69/67/175976967.db2.gz ZTKHVQXQDUUNSL-UHFFFAOYSA-N 1 0 271.242 2.343 10 0 CEAERO Cc1occc1CN(C)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000070577794 175993307 /nfs/dbraw/zinc/99/33/07/175993307.db2.gz BZISKHSAKKYIHT-WCQYABFASA-N 1 0 250.342 2.064 10 0 CEAERO CC(C)(C)[C@H](C[NH3+])n1cc(I)cn1 ZINC000070677113 176000595 /nfs/dbraw/zinc/00/05/95/176000595.db2.gz SSAGRSKYTPJJNA-QMMMGPOBSA-N 1 0 293.152 2.034 10 0 CEAERO Cc1nn(Cc2cccc(Br)c2)cc1C[NH3+] ZINC000070708154 176002246 /nfs/dbraw/zinc/00/22/46/176002246.db2.gz AJOVWKHYMNDXQO-UHFFFAOYSA-N 1 0 280.169 2.461 10 0 CEAERO [NH3+][C@@H]1CCC(=O)N[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000070824410 176007461 /nfs/dbraw/zinc/00/74/61/176007461.db2.gz LQSHSPTYSMJVAR-MWLCHTKSSA-N 1 0 259.136 2.272 10 0 CEAERO CC[C@@](C)(CO)[NH2+]Cc1ccc(O)c(Br)c1 ZINC000070898662 176010695 /nfs/dbraw/zinc/01/06/95/176010695.db2.gz UVVVUAKZSZRCJY-LBPRGKRZSA-N 1 0 288.185 2.405 10 0 CEAERO [NH3+][C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1c(F)cccc1F ZINC000070987289 176018436 /nfs/dbraw/zinc/01/84/36/176018436.db2.gz OZVBJVISSQVGKD-RISCZKNCSA-N 1 0 266.291 2.118 10 0 CEAERO [NH3+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1cc(F)ccc1F ZINC000070987358 176018464 /nfs/dbraw/zinc/01/84/64/176018464.db2.gz ROZAQEGUJDQPLC-OCCSQVGLSA-N 1 0 266.291 2.118 10 0 CEAERO [NH3+][C@H]1CCC(=O)N(C2CC2)[C@H]1c1cc(F)ccc1F ZINC000070987363 176018508 /nfs/dbraw/zinc/01/85/08/176018508.db2.gz ROZAQEGUJDQPLC-JSGCOSHPSA-N 1 0 266.291 2.118 10 0 CEAERO Cc1cc(C)cc([C@@H]2[C@H]([NH3+])CCC(=O)N2C2CC2)c1 ZINC000070987560 176018639 /nfs/dbraw/zinc/01/86/39/176018639.db2.gz RAXXFKQRTHRWMQ-GDBMZVCRSA-N 1 0 258.365 2.457 10 0 CEAERO [NH3+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000070987219 176018795 /nfs/dbraw/zinc/01/87/95/176018795.db2.gz GYHKJSJDZFKJOU-OCCSQVGLSA-N 1 0 266.291 2.118 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCN1c1ccc(Cl)cc1 ZINC000071032590 176023656 /nfs/dbraw/zinc/02/36/56/176023656.db2.gz KNJCFUBUAXQWSP-GFCCVEGCSA-N 1 0 250.729 2.197 10 0 CEAERO CCC[NH2+][C@@H]1CCCN(CCc2ccsc2)C1=O ZINC000071032281 176023893 /nfs/dbraw/zinc/02/38/93/176023893.db2.gz RXGKRNHOZUAHDK-CYBMUJFWSA-N 1 0 266.410 2.281 10 0 CEAERO CC[NH2+][C@H]1CCN(c2nc(C(C)(C)C)cs2)C1=O ZINC000071034804 176024827 /nfs/dbraw/zinc/02/48/27/176024827.db2.gz GFELGWUWINAHNX-VIFPVBQESA-N 1 0 267.398 2.155 10 0 CEAERO Cc1cc(C)c(N2CC[C@H]([NH2+]C3CC3)C2=O)c(C)c1 ZINC000071035788 176025171 /nfs/dbraw/zinc/02/51/71/176025171.db2.gz DUYOLRUTDFQDNX-AWEZNQCLSA-N 1 0 258.365 2.469 10 0 CEAERO C[C@H](Cc1ccsc1)N1CCC[C@H]([NH2+]C2CC2)C1=O ZINC000071035434 176025327 /nfs/dbraw/zinc/02/53/27/176025327.db2.gz GGARVPJNALLYHV-RISCZKNCSA-N 1 0 278.421 2.422 10 0 CEAERO Cc1ccc([C@H](C)N2CC[C@@H]([NH2+]C3CC3)C2=O)cc1 ZINC000071036618 176026162 /nfs/dbraw/zinc/02/61/62/176026162.db2.gz VFYJKCFGTNLZFW-SWLSCSKDSA-N 1 0 258.365 2.409 10 0 CEAERO CC[NH2+][C@@H]1CCCN(CCCN(C)c2ccccc2)C1=O ZINC000071038264 176027060 /nfs/dbraw/zinc/02/70/60/176027060.db2.gz BMZRWVLJPCOPQK-MRXNPFEDSA-N 1 0 289.423 2.113 10 0 CEAERO CC[NH2+][C@H]1CCCN(CCCN(C)c2ccccc2)C1=O ZINC000071038265 176027090 /nfs/dbraw/zinc/02/70/90/176027090.db2.gz BMZRWVLJPCOPQK-INIZCTEOSA-N 1 0 289.423 2.113 10 0 CEAERO CC(C)[NH2+][C@H]1CCCN([C@H](C)c2ccncc2)C1=O ZINC000071040178 176027619 /nfs/dbraw/zinc/02/76/19/176027619.db2.gz NCTHRBXBLSTGSB-OCCSQVGLSA-N 1 0 261.369 2.132 10 0 CEAERO CC[NH2+][C@@H]1CCCN([C@@H](C)c2cccs2)C1=O ZINC000071040261 176027710 /nfs/dbraw/zinc/02/77/10/176027710.db2.gz FCWUBZNQTARLRV-WDEREUQCSA-N 1 0 252.383 2.410 10 0 CEAERO CC(C)[NH2+][C@@H]1CCCN([C@H]2CCOc3ccccc32)C1=O ZINC000071043265 176029016 /nfs/dbraw/zinc/02/90/16/176029016.db2.gz JJMZANOLPMZQLW-CABCVRRESA-N 1 0 288.391 2.499 10 0 CEAERO CC[NH2+][C@@H]1CCCN([C@@H](C)c2ccsc2)C1=O ZINC000071042822 176029161 /nfs/dbraw/zinc/02/91/61/176029161.db2.gz FUIQSZGPQRWHRB-CMPLNLGQSA-N 1 0 252.383 2.410 10 0 CEAERO CC[NH2+][C@@H]1CCCN([C@H](C)Cc2cccs2)C1=O ZINC000071043825 176029672 /nfs/dbraw/zinc/02/96/72/176029672.db2.gz LVRHBKRQYVDBTI-DGCLKSJQSA-N 1 0 266.410 2.280 10 0 CEAERO Cc1nn(C[C@@H]2OCCc3ccccc32)c(C)c1CC[NH3+] ZINC000071099169 176032998 /nfs/dbraw/zinc/03/29/98/176032998.db2.gz OZECLLSWIFOXDJ-KRWDZBQOSA-N 1 0 285.391 2.315 10 0 CEAERO COCC[NH2+]C[C@H]1CCCCN1Cc1ccc(OC)cc1 ZINC000071137982 176036443 /nfs/dbraw/zinc/03/64/43/176036443.db2.gz PMIXLBZBCNOFLL-MRXNPFEDSA-N 1 0 292.423 2.286 10 0 CEAERO COc1ccc(Cn2nc(C)c(C[C@H](C)[NH3+])c2C)cc1 ZINC000071139269 176037296 /nfs/dbraw/zinc/03/72/96/176037296.db2.gz UBQSVOKPSWYYGW-NSHDSACASA-N 1 0 273.380 2.447 10 0 CEAERO C[NH2+]C[C@H]1CCN(CC(=O)N(C(C)C)C2CCCCC2)C1 ZINC000071145253 176041991 /nfs/dbraw/zinc/04/19/91/176041991.db2.gz BAIJJDUYHMTYLK-OAHLLOKOSA-N 1 0 295.471 2.097 10 0 CEAERO C[NH2+]C[C@H]1CCN(c2cccc(C(F)(F)F)n2)C1 ZINC000071147914 176044195 /nfs/dbraw/zinc/04/41/95/176044195.db2.gz FIOMDUHLZBWJCZ-SECBINFHSA-N 1 0 259.275 2.146 10 0 CEAERO CCn1c(C[NH3+])nnc1S[C@H]1CCC[C@H](C)C1 ZINC000071150268 176045413 /nfs/dbraw/zinc/04/54/13/176045413.db2.gz GHZNBTZPMVMHRT-UWVGGRQHSA-N 1 0 254.403 2.428 10 0 CEAERO [NH3+]Cc1ccc(NC(=O)COc2cc(F)ccc2F)cc1 ZINC000071167364 176049659 /nfs/dbraw/zinc/04/96/59/176049659.db2.gz BUMBXKJVZWRBOW-UHFFFAOYSA-N 1 0 292.285 2.441 10 0 CEAERO COc1ccc(C[C@@](C)(CN)[N@H+](C)C2CCOCC2)cc1 ZINC000071169147 176049746 /nfs/dbraw/zinc/04/97/46/176049746.db2.gz MAKKPBLGJJIVST-KRWDZBQOSA-N 1 0 292.423 2.066 10 0 CEAERO C[NH2+]C[C@H]1CC[C@@H](COc2cc(F)ccc2F)O1 ZINC000071168731 176049957 /nfs/dbraw/zinc/04/99/57/176049957.db2.gz ZSFOKZQPGQWEHM-MNOVXSKESA-N 1 0 257.280 2.111 10 0 CEAERO COc1ccc(C[C@](C)([NH2+]C2CCCC2)C(N)=O)cc1 ZINC000071169670 176050648 /nfs/dbraw/zinc/05/06/48/176050648.db2.gz NAFKDWQWGUHOON-INIZCTEOSA-N 1 0 276.380 2.014 10 0 CEAERO CC(C)Oc1cncc(N[C@H](C)[C@@H]2CCC[NH2+]C2)n1 ZINC000071176064 176054852 /nfs/dbraw/zinc/05/48/52/176054852.db2.gz ZKSHNLCQYNCHLK-VXGBXAGGSA-N 1 0 264.373 2.064 10 0 CEAERO CCCOc1cncc(Nc2cccc(OCC[NH3+])c2)n1 ZINC000071176124 176054963 /nfs/dbraw/zinc/05/49/63/176054963.db2.gz OIGJRXUWZISIRY-UHFFFAOYSA-N 1 0 288.351 2.347 10 0 CEAERO CC(C)Oc1cncc(N[C@@H](C)[C@@H]2CCC[NH2+]C2)n1 ZINC000071176063 176054979 /nfs/dbraw/zinc/05/49/79/176054979.db2.gz ZKSHNLCQYNCHLK-NWDGAFQWSA-N 1 0 264.373 2.064 10 0 CEAERO CC[NH2+][C@@H]1CCCc2cc(O[C@@H]3CCN(C)C3=O)ccc21 ZINC000071183078 176058313 /nfs/dbraw/zinc/05/83/13/176058313.db2.gz KLZRIKQMEFTLHB-HZPDHXFCSA-N 1 0 288.391 2.283 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc(Cl)ccc1O[C@H]1CCN(C)C1=O ZINC000071184774 176059328 /nfs/dbraw/zinc/05/93/28/176059328.db2.gz XHBJXMXXOURNAL-OCCSQVGLSA-N 1 0 296.798 2.229 10 0 CEAERO CN(C[C@@H]1CC[N@H+](C)C1)c1ccc(Cl)cc1C(N)=S ZINC000071190378 176066196 /nfs/dbraw/zinc/06/61/96/176066196.db2.gz LEXVUYHDIQCZGS-SNVBAGLBSA-N 1 0 297.855 2.362 10 0 CEAERO CCC[NH2+][C@@H]1CCCN(Cc2nc(C)cs2)C1 ZINC000071200858 176077528 /nfs/dbraw/zinc/07/75/28/176077528.db2.gz NTVCKPDKLNJREW-GFCCVEGCSA-N 1 0 253.415 2.416 10 0 CEAERO COc1cc(F)ccc1N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000071200909 176077597 /nfs/dbraw/zinc/07/75/97/176077597.db2.gz DGPNGQSJGCGHEJ-GFCCVEGCSA-N 1 0 250.317 2.165 10 0 CEAERO CCOC(=O)c1ncsc1N[C@H](C[NH+](C)C)C(C)C ZINC000071202096 176078242 /nfs/dbraw/zinc/07/82/42/176078242.db2.gz HYEIVTXDZPAQBY-SNVBAGLBSA-N 1 0 285.413 2.318 10 0 CEAERO COc1cc(OC)c([C@@H]2C[NH2+][C@@H](C)C2)cc1OC ZINC000071202223 176078340 /nfs/dbraw/zinc/07/83/40/176078340.db2.gz FZTJCURNYBPEDY-UWVGGRQHSA-N 1 0 251.326 2.178 10 0 CEAERO Cc1ncsc1CNC[C@H]([NH3+])Cc1ccccc1 ZINC000071213758 176085135 /nfs/dbraw/zinc/08/51/35/176085135.db2.gz WGGICXOXYHJKET-CYBMUJFWSA-N 1 0 261.394 2.111 10 0 CEAERO COCCN(CCC[NH3+])c1nc2ccccc2s1 ZINC000071223760 176088673 /nfs/dbraw/zinc/08/86/73/176088673.db2.gz UEAWLTIGPHDQBS-UHFFFAOYSA-N 1 0 265.382 2.098 10 0 CEAERO COCCN(CCC(N)=[NH2+])Cc1cc(C)cc(C)c1 ZINC000071228985 176091067 /nfs/dbraw/zinc/09/10/67/176091067.db2.gz QJMYVNRHJMNWBJ-UHFFFAOYSA-N 1 0 263.385 2.078 10 0 CEAERO C[N@@H+](Cc1ccc(F)cc1C(=O)[O-])CC1CC[NH+](C)CC1 ZINC000071265163 176098823 /nfs/dbraw/zinc/09/88/23/176098823.db2.gz VZNASVWZTZEQNE-UHFFFAOYSA-N 1 0 294.370 2.298 10 0 CEAERO C[C@@H]([NH2+]C[C@H](O)C1CC1)c1ccc(-n2ccnc2)cc1 ZINC000071300576 176113786 /nfs/dbraw/zinc/11/37/86/176113786.db2.gz BCGVRKOSVJVPJD-WBMJQRKESA-N 1 0 271.364 2.294 10 0 CEAERO COc1ccc(OC)c([C@H](C)N(C)[C@@H]2CC[NH2+]C2)c1 ZINC000071309216 176116961 /nfs/dbraw/zinc/11/69/61/176116961.db2.gz LARPCWYGDVKZNT-NWDGAFQWSA-N 1 0 264.369 2.059 10 0 CEAERO CCCN(C(=O)c1cc(Cl)ccc1O)[C@H]1CC[NH2+]C1 ZINC000071330183 176124483 /nfs/dbraw/zinc/12/44/83/176124483.db2.gz PNMWSVJQASYNPC-NSHDSACASA-N 1 0 282.771 2.260 10 0 CEAERO CN(C)c1cc[nH+]cc1NC1CN(C(=O)OC(C)(C)C)C1 ZINC000071335567 176126839 /nfs/dbraw/zinc/12/68/39/176126839.db2.gz YAYYDQDHHHTMNX-UHFFFAOYSA-N 1 0 292.383 2.179 10 0 CEAERO C[C@@H]1CCC[NH2+][C@H]1CNC(=O)c1cc(F)cc(F)c1 ZINC000071338618 176128974 /nfs/dbraw/zinc/12/89/74/176128974.db2.gz QYANOIDWSCXQRP-RNCFNFMXSA-N 1 0 268.307 2.083 10 0 CEAERO C[C@@H]1CCC[NH2+][C@H]1CNC(=O)C1CCCCCC1 ZINC000071338802 176128999 /nfs/dbraw/zinc/12/89/99/176128999.db2.gz CSXUFQFZXPQJPD-OCCSQVGLSA-N 1 0 252.402 2.461 10 0 CEAERO Cc1ccc(F)cc1C(=O)NC[C@@H]1[NH2+]CCC[C@H]1C ZINC000071338873 176129279 /nfs/dbraw/zinc/12/92/79/176129279.db2.gz SUMHOHLORUINPN-RISCZKNCSA-N 1 0 264.344 2.252 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@H](CC(C)C)CN1Cc1ncccn1 ZINC000071351741 176134914 /nfs/dbraw/zinc/13/49/14/176134914.db2.gz GLQIRQXSLVEJLO-ZBFHGGJFSA-N 1 0 276.428 2.465 10 0 CEAERO CC(C)C[C@H]1CN(CCCn2ccnc2)C(C)(C)C[NH2+]1 ZINC000071351483 176135043 /nfs/dbraw/zinc/13/50/43/176135043.db2.gz XWTHUZHCJPQPEY-HNNXBMFYSA-N 1 0 278.444 2.372 10 0 CEAERO Cc1nccn1CCN1C[C@@H](CC(C)C)[NH2+]CC1(C)C ZINC000071351544 176135220 /nfs/dbraw/zinc/13/52/20/176135220.db2.gz UGUZRRKBZYXHBZ-OAHLLOKOSA-N 1 0 278.444 2.290 10 0 CEAERO C[C@@H]1CN[C@@H](Cc2ccccc2)C[N@@H+]1CC1CCOCC1 ZINC000071352622 176135307 /nfs/dbraw/zinc/13/53/07/176135307.db2.gz BVMBQWHECBSQFX-QAPCUYQASA-N 1 0 288.435 2.318 10 0 CEAERO CCOCCN1C[C@@H](Cc2ccccc2)[NH2+]C[C@@H]1CC ZINC000071352690 176135396 /nfs/dbraw/zinc/13/53/96/176135396.db2.gz ZSQRLCXFMSLOSN-SJORKVTESA-N 1 0 276.424 2.318 10 0 CEAERO CC[C@@H]1CN[C@@H](Cc2ccccc2)C[N@@H+]1CCCOC ZINC000071352707 176135566 /nfs/dbraw/zinc/13/55/66/176135566.db2.gz BVTQACGJYBUHSY-DLBZAZTESA-N 1 0 276.424 2.318 10 0 CEAERO CCOCCN1C[C@@H](Cc2ccccc2)[NH2+]C[C@@H]1C1CC1 ZINC000071353123 176135764 /nfs/dbraw/zinc/13/57/64/176135764.db2.gz GPIDIUDPKHLKSY-QZTJIDSGSA-N 1 0 288.435 2.318 10 0 CEAERO COCCN1C[C@@H](Cc2ccccc2)[NH2+]C[C@@]1(C)C1CC1 ZINC000071353493 176136339 /nfs/dbraw/zinc/13/63/39/176136339.db2.gz OHULXKYHXFGPTH-MSOLQXFVSA-N 1 0 288.435 2.318 10 0 CEAERO C[C@H]1C[NH2+]C2(CCCC2)CN1C[C@@H]1CCCCO1 ZINC000071358225 176137290 /nfs/dbraw/zinc/13/72/90/176137290.db2.gz FUDOONFLWQOGEP-KBPBESRZSA-N 1 0 252.402 2.162 10 0 CEAERO CCOCC[N@@H+]1CC2(CCCC2)NC[C@H]1C(C)C ZINC000071358467 176137550 /nfs/dbraw/zinc/13/75/50/176137550.db2.gz WOZVZPUNLOHMDS-AWEZNQCLSA-N 1 0 254.418 2.266 10 0 CEAERO Cc1ccc(CSc2nnc(C[NH3+])n2C)cc1C ZINC000071374184 176139668 /nfs/dbraw/zinc/13/96/68/176139668.db2.gz FDDLOSYBSGPNDB-UHFFFAOYSA-N 1 0 262.382 2.183 10 0 CEAERO CN(CC[NH2+]CCCOCC(F)(F)F)C1CCCC1 ZINC000071377217 176142352 /nfs/dbraw/zinc/14/23/52/176142352.db2.gz ZINBIFKXTMHWMD-UHFFFAOYSA-N 1 0 282.350 2.419 10 0 CEAERO Cc1ccc(N)c(CN2CC[NH+](CC(C)C)CC2)c1 ZINC000071384051 176146930 /nfs/dbraw/zinc/14/69/30/176146930.db2.gz RMKJHXNVULNOOQ-UHFFFAOYSA-N 1 0 261.413 2.351 10 0 CEAERO COCCSc1nc2ccccc2cc1C(N)=[NH2+] ZINC000071390468 176148463 /nfs/dbraw/zinc/14/84/63/176148463.db2.gz KSVDTWGQZQCVPP-UHFFFAOYSA-N 1 0 261.350 2.257 10 0 CEAERO CC(C)NC(=O)COc1ccc(C[NH3+])cc1C(F)(F)F ZINC000071398442 176151842 /nfs/dbraw/zinc/15/18/42/176151842.db2.gz BFTMDZDZZOFPIS-UHFFFAOYSA-N 1 0 290.285 2.068 10 0 CEAERO CC[NH2+]Cc1cc(C)ccc1O[C@@H](C)C(=O)NC1CC1 ZINC000071406066 176155863 /nfs/dbraw/zinc/15/58/63/176155863.db2.gz OBOGIGOFDUSNCT-LBPRGKRZSA-N 1 0 276.380 2.150 10 0 CEAERO Cc1ccc(OCCCC(=O)N(C)C)c(C[C@H](C)[NH3+])c1 ZINC000071411798 176157106 /nfs/dbraw/zinc/15/71/06/176157106.db2.gz DXYKSCMPBBCZJC-ZDUSSCGKSA-N 1 0 278.396 2.132 10 0 CEAERO CCN(C(=O)COc1ccc(C)cc1C[C@@H](C)[NH3+])C1CC1 ZINC000071411815 176157224 /nfs/dbraw/zinc/15/72/24/176157224.db2.gz MOKHABKNUKITHU-CYBMUJFWSA-N 1 0 290.407 2.274 10 0 CEAERO CC[NH2+][C@@H](C)C(=O)c1ccc(OC)c(C)c1OC ZINC000071573213 176199941 /nfs/dbraw/zinc/19/99/41/176199941.db2.gz MRJVJVXYVMVUNG-JTQLQIEISA-N 1 0 251.326 2.193 10 0 CEAERO Brc1ccccc1CCC1=[NH+]CCN1 ZINC000071574531 176201686 /nfs/dbraw/zinc/20/16/86/176201686.db2.gz OIFZBHKJYZBZBF-UHFFFAOYSA-N 1 0 253.143 2.383 10 0 CEAERO CCc1ccc(OC)c(Cn2cnc(CC[NH3+])c2)c1 ZINC000071585439 176211016 /nfs/dbraw/zinc/21/10/16/176211016.db2.gz IYEWRLAFDVZVKN-UHFFFAOYSA-N 1 0 259.353 2.004 10 0 CEAERO COC[C@H]([NH3+])c1ccc(OC)c(Br)c1 ZINC000071585895 176211854 /nfs/dbraw/zinc/21/18/54/176211854.db2.gz VOGPLRCMUUHOQC-VIFPVBQESA-N 1 0 260.131 2.104 10 0 CEAERO COc1ccc([C@@H](O)[C@H](C)[NH2+]C(C)C)c(OC)c1C ZINC000071599200 176223323 /nfs/dbraw/zinc/22/33/23/176223323.db2.gz ZIRJXZVICYOYPL-FZMZJTMJSA-N 1 0 267.369 2.432 10 0 CEAERO CC[NH2+]CCS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000071600846 176227112 /nfs/dbraw/zinc/22/71/12/176227112.db2.gz ZIJQGJQQFREDIH-UHFFFAOYSA-N 1 0 269.410 2.367 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CCO[C@@H]1CC1(F)F ZINC000659996165 415835732 /nfs/dbraw/zinc/83/57/32/415835732.db2.gz YGGRQJIWFMWAHJ-HZSPNIEDSA-N 1 0 288.382 2.359 10 0 CEAERO Cc1cnc(N2CCC[C@H](C3CC[NH2+]CC3)C2)nc1 ZINC000656609986 415784077 /nfs/dbraw/zinc/78/40/77/415784077.db2.gz YHOWVIWAHYTSSU-AWEZNQCLSA-N 1 0 260.385 2.001 10 0 CEAERO CCCn1c2ccc([C@@H](O)[C@H]3CCCC[NH2+]3)cc2oc1=O ZINC000074365906 176532877 /nfs/dbraw/zinc/53/28/77/176532877.db2.gz OZFHPEOOOGUJDW-IUODEOHRSA-N 1 0 290.363 2.180 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCC(C2CCC2)CC1 ZINC000662630512 415911794 /nfs/dbraw/zinc/91/17/94/415911794.db2.gz KTIGSBRQLQUPQR-WFASDCNBSA-N 1 0 264.413 2.413 10 0 CEAERO Cc1cc(C)cc(CNC(=O)CC[C@H]2CCC[NH2+]2)c1 ZINC000662646808 415917192 /nfs/dbraw/zinc/91/71/92/415917192.db2.gz NIAKHQKGCRHODX-OAHLLOKOSA-N 1 0 260.381 2.452 10 0 CEAERO CC(C)[NH2+]C[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000076326077 176989777 /nfs/dbraw/zinc/98/97/77/176989777.db2.gz ZLEZISHVEUAQHU-OAHLLOKOSA-N 1 0 260.381 2.076 10 0 CEAERO CCOc1cc(C)c([C@@H](C)NC(=O)C[NH2+]C)cc1C ZINC000076368860 177005929 /nfs/dbraw/zinc/00/59/29/177005929.db2.gz YMXCCOTVQKVWDH-GFCCVEGCSA-N 1 0 264.369 2.099 10 0 CEAERO C[NH2+]CC(=O)N[C@H](C)c1ccc(OC(C)C)c(F)c1 ZINC000076398990 177015646 /nfs/dbraw/zinc/01/56/46/177015646.db2.gz PTSYASITWLNKED-SNVBAGLBSA-N 1 0 268.332 2.010 10 0 CEAERO COc1cc(N(C)C[C@H](C)C[NH3+])c(OC)cc1Cl ZINC000076416216 177021850 /nfs/dbraw/zinc/02/18/50/177021850.db2.gz CTRVLQPSNISKPH-SECBINFHSA-N 1 0 272.776 2.388 10 0 CEAERO COc1ccc(C)cc1NC(=O)[C@H](C)CCC[NH3+] ZINC000076654751 177044432 /nfs/dbraw/zinc/04/44/32/177044432.db2.gz RLEXLZIBGRYZGP-LLVKDONJSA-N 1 0 250.342 2.317 10 0 CEAERO CC(C)Oc1ccc(NC(=O)[C@H](C)CC[NH3+])cc1 ZINC000076654601 177044501 /nfs/dbraw/zinc/04/45/01/177044501.db2.gz VKYHCDJDJJDWII-LLVKDONJSA-N 1 0 250.342 2.397 10 0 CEAERO CC[C@H](C)NC(=O)[C@H](CC[NH3+])c1ccccc1F ZINC000076656558 177046004 /nfs/dbraw/zinc/04/60/04/177046004.db2.gz SPSXPMXCLHRRSN-CMPLNLGQSA-N 1 0 252.333 2.173 10 0 CEAERO C[NH2+][C@H](C)c1cn2cc(Br)ccc2n1 ZINC000076790309 177095915 /nfs/dbraw/zinc/09/59/15/177095915.db2.gz XKQOKPVLQMWQHZ-SSDOTTSWSA-N 1 0 254.131 2.377 10 0 CEAERO CC(C)CCS(=O)(=O)Cc1cccc(C[NH3+])c1 ZINC000076981378 177137387 /nfs/dbraw/zinc/13/73/87/177137387.db2.gz CWYSXHSHRDOYDR-UHFFFAOYSA-N 1 0 255.383 2.106 10 0 CEAERO C[NH2+]C[C@@H](O)CN(C)c1c(C)cccc1C(C)C ZINC000077432347 177268164 /nfs/dbraw/zinc/26/81/64/177268164.db2.gz PMZHFMDTZYAFJN-CYBMUJFWSA-N 1 0 250.386 2.135 10 0 CEAERO CN(C[C@@H](O)CC[NH3+])c1ccccc1C(C)(C)C ZINC000077432360 177268324 /nfs/dbraw/zinc/26/83/24/177268324.db2.gz RAEDSYMZQJKPDF-LBPRGKRZSA-N 1 0 250.386 2.130 10 0 CEAERO Cc1nn(C)c(Cl)c1C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000077466285 177272062 /nfs/dbraw/zinc/27/20/62/177272062.db2.gz ACSYTSQOERJAGK-ZYHUDNBSSA-N 1 0 271.792 2.023 10 0 CEAERO COc1ccc([C@@H](C[NH3+])N(C)C2CC2)cc1Cl ZINC000077609415 177285514 /nfs/dbraw/zinc/28/55/14/177285514.db2.gz WSGYZHQRGRKZOC-GFCCVEGCSA-N 1 0 254.761 2.443 10 0 CEAERO Cn1ccnc1CC[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000078005884 177316772 /nfs/dbraw/zinc/31/67/72/177316772.db2.gz VVNDOPAMBYMHJK-UHFFFAOYSA-N 1 0 285.391 2.466 10 0 CEAERO CC[C@H]1CC[C@H]([NH2+]CCc2nnc3ccccn32)C1 ZINC000078005313 177316807 /nfs/dbraw/zinc/31/68/07/177316807.db2.gz SEMQTNAJGIBDIB-STQMWFEESA-N 1 0 258.369 2.440 10 0 CEAERO CCN(C(=O)CN1C[C@@H](C[NH3+])CC[C@@H]1C)c1ccccc1 ZINC000078505536 177347957 /nfs/dbraw/zinc/34/79/57/177347957.db2.gz FRFCJMZMWJMZFL-LSDHHAIUSA-N 1 0 289.423 2.099 10 0 CEAERO O=C(C[NH2+]CC1(O)CCCCC1)Nc1ccc(F)cc1 ZINC000078515522 177348951 /nfs/dbraw/zinc/34/89/51/177348951.db2.gz ARVAOSURONDSSX-UHFFFAOYSA-N 1 0 280.343 2.049 10 0 CEAERO C[NH2+]CCCCOc1cncc(Br)c1 ZINC000078766723 177384436 /nfs/dbraw/zinc/38/44/36/177384436.db2.gz HERNLJWOQKMHGT-UHFFFAOYSA-N 1 0 259.147 2.223 10 0 CEAERO Cc1cccc(-c2noc(CC[C@H](C)CC[NH3+])n2)n1 ZINC000079069454 177426566 /nfs/dbraw/zinc/42/65/66/177426566.db2.gz SAYIKIGKIXTRNX-JTQLQIEISA-N 1 0 260.341 2.358 10 0 CEAERO C[C@H](CC[NH3+])CCC(=O)Nc1ccccc1C(=O)N(C)C ZINC000079117302 177435775 /nfs/dbraw/zinc/43/57/75/177435775.db2.gz MSVBZIAYBOQOPJ-LBPRGKRZSA-N 1 0 291.395 2.092 10 0 CEAERO CC[C@H](CC[NH3+])CCC(=O)NCc1ccccc1OC ZINC000079206213 177445528 /nfs/dbraw/zinc/44/55/28/177445528.db2.gz VVVDFEJHTVXNQA-ZDUSSCGKSA-N 1 0 278.396 2.467 10 0 CEAERO CC[C@@H](CC[NH3+])CCC(=O)N1CCCC[C@H]1CC(=O)OC ZINC000079211209 177447611 /nfs/dbraw/zinc/44/76/11/177447611.db2.gz QCLOLBDXWDPZAF-KGLIPLIRSA-N 1 0 298.427 2.086 10 0 CEAERO CCC[C@H](CC[NH3+])CCC(=O)N1CCO[C@@H]2CCC[C@@H]21 ZINC000079240921 177454380 /nfs/dbraw/zinc/45/43/80/177454380.db2.gz QOXCFSGFWRHVKC-SOUVJXGZSA-N 1 0 282.428 2.312 10 0 CEAERO CCC[C@@H](CC[NH3+])CCC(=O)N(CC)CCOCC ZINC000079242415 177454804 /nfs/dbraw/zinc/45/48/04/177454804.db2.gz JXWHPTAQILNMHV-CQSZACIVSA-N 1 0 272.433 2.417 10 0 CEAERO CC(C)[C@H]1CCC(=O)N(CC2CC[NH2+]CC2)CC1 ZINC000079249080 177456892 /nfs/dbraw/zinc/45/68/92/177456892.db2.gz MABVVMFMPMTUMW-AWEZNQCLSA-N 1 0 252.402 2.271 10 0 CEAERO CC[C@@H]1COCCN1C(=O)CC[C@H](CC[NH3+])C(C)(C)C ZINC000079290406 177464370 /nfs/dbraw/zinc/46/43/70/177464370.db2.gz XDTOGTFWCVEEAF-ZIAGYGMSSA-N 1 0 284.444 2.415 10 0 CEAERO C[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079521269 177515094 /nfs/dbraw/zinc/51/50/94/177515094.db2.gz XPPDAIGZNOEMHL-XHDPSFHLSA-N 1 0 264.344 2.015 10 0 CEAERO [NH3+][C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1nc(CC(F)(F)F)no1 ZINC000079558999 177519795 /nfs/dbraw/zinc/51/97/95/177519795.db2.gz ACASTMQWCGYFAC-JWIUVKOKSA-N 1 0 261.247 2.015 10 0 CEAERO NC(=[NH2+])c1ccc(NC(=O)NC2CCCCC2)cc1 ZINC000079778075 177557171 /nfs/dbraw/zinc/55/71/71/177557171.db2.gz DITVZXGWFNWUHA-UHFFFAOYSA-N 1 0 260.341 2.425 10 0 CEAERO NC(=[NH2+])[C@H]1CCCN1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000079807377 177562609 /nfs/dbraw/zinc/56/26/09/177562609.db2.gz YMSCMHZLNLFWEZ-RRHJKOLHSA-N 1 0 290.411 2.065 10 0 CEAERO C[C@@]1([NH2+][C@H]2CCCC(C)(C)C2)CCS(=O)(=O)C1 ZINC000079973750 177590542 /nfs/dbraw/zinc/59/05/42/177590542.db2.gz KCYKNRSKXJGQMC-WCQYABFASA-N 1 0 259.415 2.122 10 0 CEAERO NC(=O)[C@H]1CCC[NH2+][C@H]1c1cccc2ccccc21 ZINC000080104168 177608543 /nfs/dbraw/zinc/60/85/43/177608543.db2.gz ZQARSFUJJYNGGZ-GJZGRUSLSA-N 1 0 254.333 2.366 10 0 CEAERO C[C@@H]([NH3+])CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000074532984 419409761 /nfs/dbraw/zinc/40/97/61/419409761.db2.gz WGQBTLFPFDGTNO-HTQZYQBOSA-N 1 0 291.178 2.224 10 0 CEAERO Cc1cc(C(C)C)nc(N2CCC([C@@H](C)[NH3+])CC2)n1 ZINC000122223470 419425442 /nfs/dbraw/zinc/42/54/42/419425442.db2.gz KSALEXAHAMZKHQ-GFCCVEGCSA-N 1 0 262.401 2.472 10 0 CEAERO COc1ccc(OC)c(NC(=O)C[C@@H]([NH3+])C(C)C)c1 ZINC000136297297 419443731 /nfs/dbraw/zinc/44/37/31/419443731.db2.gz QCVFFSPHVDIIFI-LLVKDONJSA-N 1 0 266.341 2.016 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000136361039 419444837 /nfs/dbraw/zinc/44/48/37/419444837.db2.gz SCCLXUNPIRZNJP-ZDUSSCGKSA-N 1 0 272.352 2.389 10 0 CEAERO COc1cc(NC(=O)C[C@@H]([NH3+])C(C)C)cc(OC)c1 ZINC000136296959 419444900 /nfs/dbraw/zinc/44/49/00/419444900.db2.gz HEEVSXJRBLKAAP-CYBMUJFWSA-N 1 0 266.341 2.016 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000136347265 419445306 /nfs/dbraw/zinc/44/53/06/419445306.db2.gz INVGFKZKLBNAOC-DGCLKSJQSA-N 1 0 292.379 2.008 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)N(C)CCCOc1ccccc1 ZINC000136390663 419447118 /nfs/dbraw/zinc/44/71/18/419447118.db2.gz SSIKCCQSXLMPOL-OAHLLOKOSA-N 1 0 278.396 2.287 10 0 CEAERO COCC[C@H](C)[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C ZINC000180514261 260104781 /nfs/dbraw/zinc/10/47/81/260104781.db2.gz RPHFGBAGUPXNKI-NWDGAFQWSA-N 1 0 274.405 2.304 10 0 CEAERO CCc1ccc(CNC(=O)C[C@@H]2CCC[NH2+]C2)s1 ZINC000225346458 261063452 /nfs/dbraw/zinc/06/34/52/261063452.db2.gz MNBMQYVJSPYMPB-NSHDSACASA-N 1 0 266.410 2.316 10 0 CEAERO CC(C)(O)C(C)(C)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000393615857 261219910 /nfs/dbraw/zinc/21/99/10/261219910.db2.gz JYXMXBFRWWLCED-QJPTWQEYSA-N 1 0 255.402 2.187 10 0 CEAERO Cc1cc(C)c(C[N@@H+]2CCCNC(=O)[C@H]2C)cc1C ZINC000189081851 262167511 /nfs/dbraw/zinc/16/75/11/262167511.db2.gz RESFXRCWAGTZGR-CQSZACIVSA-N 1 0 260.381 2.322 10 0 CEAERO CCN(CC(C)C)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000194176482 270293822 /nfs/dbraw/zinc/29/38/22/270293822.db2.gz ZDWWSXXPHSHUIU-ZDUSSCGKSA-N 1 0 255.406 2.158 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCc1ccoc1 ZINC000194191721 270294219 /nfs/dbraw/zinc/29/42/19/270294219.db2.gz NTRXFKJUYHKGSG-CYBMUJFWSA-N 1 0 267.373 2.055 10 0 CEAERO CSCC1CCC([NH2+][C@H]2CCC(=O)N[C@H]2C)CC1 ZINC000392887435 270341605 /nfs/dbraw/zinc/34/16/05/270341605.db2.gz LRZXHZKZXPBOPR-WTIISPKJSA-N 1 0 270.442 2.165 10 0 CEAERO Cc1ncsc1CC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398707128 270360913 /nfs/dbraw/zinc/36/09/13/270360913.db2.gz BIDJGHXCJVBXHS-RWMBFGLXSA-N 1 0 266.410 2.087 10 0 CEAERO C[C@H](CN[C@H]1CC[NH2+]C1)Oc1cccc(Cl)c1 ZINC000422922640 270802285 /nfs/dbraw/zinc/80/22/85/270802285.db2.gz QJPUOPMJBOVFBD-PWSUYJOCSA-N 1 0 254.761 2.059 10 0 CEAERO Cc1csc2c1ncnc2N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000222273523 274832527 /nfs/dbraw/zinc/83/25/27/274832527.db2.gz UKDDFANVIKAENP-UWVGGRQHSA-N 1 0 262.382 2.186 10 0 CEAERO Brc1ccc2c(c1)OCC21CC[NH2+]CC1 ZINC000113562383 275371577 /nfs/dbraw/zinc/37/15/77/275371577.db2.gz VNKPRQWBMUZNSL-UHFFFAOYSA-N 1 0 268.154 2.463 10 0 CEAERO Brc1cccc(NC[C@H]2CCC[NH2+]2)n1 ZINC000095092350 275373303 /nfs/dbraw/zinc/37/33/03/275373303.db2.gz UVWOWLIGPWZFOC-MRVPVSSYSA-N 1 0 256.147 2.008 10 0 CEAERO Brc1cccc(S[C@H]2CC[NH2+]C2)n1 ZINC000095092411 275373327 /nfs/dbraw/zinc/37/33/27/275373327.db2.gz HYHDHQZNMRGGFK-ZETCQYMHSA-N 1 0 259.172 2.298 10 0 CEAERO Brc1cccnc1N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261580629 275375680 /nfs/dbraw/zinc/37/56/80/275375680.db2.gz MZYGIJNDZUNLHZ-GFCCVEGCSA-N 1 0 282.185 2.034 10 0 CEAERO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000180496878 276018994 /nfs/dbraw/zinc/01/89/94/276018994.db2.gz VOJVLHNSHXXYKN-SJORKVTESA-N 1 0 294.414 2.313 10 0 CEAERO CCC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000037413642 276043483 /nfs/dbraw/zinc/04/34/83/276043483.db2.gz FPRCDSAQQAZYNJ-JTQLQIEISA-N 1 0 264.325 2.260 10 0 CEAERO CCN1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)c2ccccc21 ZINC000178788521 276381329 /nfs/dbraw/zinc/38/13/29/276381329.db2.gz YXLKFQCVJAUBGC-KGLIPLIRSA-N 1 0 287.407 2.377 10 0 CEAERO C[NH+](C)[C@@H]1CCN(c2nnc(-c3ccccc3)s2)C1 ZINC000170844079 276783567 /nfs/dbraw/zinc/78/35/67/276783567.db2.gz ZSKSNAJPTBDUOI-GFCCVEGCSA-N 1 0 274.393 2.345 10 0 CEAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@H]1CC(F)(F)F ZINC000095642295 277188999 /nfs/dbraw/zinc/18/89/99/277188999.db2.gz QDJQPSDQSUMFFG-MRVPVSSYSA-N 1 0 268.279 2.148 10 0 CEAERO C[N@@H+]1C[C@H](c2ccccc2)CC12CC[NH+](CC(=O)[O-])CC2 ZINC000095519558 277205841 /nfs/dbraw/zinc/20/58/41/277205841.db2.gz UCOCJIDVHJOHOF-OAHLLOKOSA-N 1 0 288.391 2.025 10 0 CEAERO CC(C)(C)[C@H](O)C[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000324605852 277254564 /nfs/dbraw/zinc/25/45/64/277254564.db2.gz KIBAEVUVVUPUQI-IVZWLZJFSA-N 1 0 269.307 2.093 10 0 CEAERO COc1c(C)cnc(CN2CC[C@H](C)C[C@@H]2C[NH3+])c1C ZINC000234893865 277363405 /nfs/dbraw/zinc/36/34/05/277363405.db2.gz NXBIRVCJNOKOEN-SMDDNHRTSA-N 1 0 277.412 2.266 10 0 CEAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1C[C@@H]1CCC=CO1 ZINC000248824569 277368933 /nfs/dbraw/zinc/36/89/33/277368933.db2.gz FUJIBLNRUMOTIZ-XQLPTFJDSA-N 1 0 279.380 2.485 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CN[C@@H](C)c1ccnn1C ZINC000193045182 277394361 /nfs/dbraw/zinc/39/43/61/277394361.db2.gz PTHOUCOHLKTSFJ-UONOGXRCSA-N 1 0 264.417 2.191 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc(Cl)ccn1 ZINC000037991413 277479586 /nfs/dbraw/zinc/47/95/86/277479586.db2.gz WVLGUUQSFUMERR-GFCCVEGCSA-N 1 0 283.803 2.441 10 0 CEAERO C[C@@H]1CCCN(c2ncnc3ccsc32)[C@@H]1C[NH3+] ZINC000070178335 277699250 /nfs/dbraw/zinc/69/92/50/277699250.db2.gz JYYNUIJZHQOXRS-MWLCHTKSSA-N 1 0 262.382 2.255 10 0 CEAERO C[C@@H]1CN(C(=O)c2ccc(Cl)cc2Cl)C[C@H]1[NH3+] ZINC000235346615 277854615 /nfs/dbraw/zinc/85/46/15/277854615.db2.gz MIOPKINMBIOXST-RDDDGLTNSA-N 1 0 273.163 2.413 10 0 CEAERO C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000251523028 278159170 /nfs/dbraw/zinc/15/91/70/278159170.db2.gz BDWGXMGAOVXEOR-DVOMOZLQSA-N 1 0 283.412 2.344 10 0 CEAERO C[C@H](CNC(=O)N1CCS[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000171429272 278200618 /nfs/dbraw/zinc/20/06/18/278200618.db2.gz JYSSPRVJQZRMOA-KGLIPLIRSA-N 1 0 299.484 2.255 10 0 CEAERO C[C@@H]([NH3+])[C@@H]1CCN(c2ccnc(C(F)(F)F)c2)C1 ZINC000261581596 278314495 /nfs/dbraw/zinc/31/44/95/278314495.db2.gz QTRVUTKMVPNWEY-RKDXNWHRSA-N 1 0 259.275 2.274 10 0 CEAERO CC1(C)CN(C(=O)c2c(F)ccc(F)c2F)CC[C@@H]1[NH3+] ZINC000335053888 278319263 /nfs/dbraw/zinc/31/92/63/278319263.db2.gz SUBZLTOMZIYJGT-JTQLQIEISA-N 1 0 286.297 2.303 10 0 CEAERO CC(C)(C)OC(=O)N([C@H]1CC[NH2+]C1)C(F)(F)F ZINC000095082897 278378014 /nfs/dbraw/zinc/37/80/14/278378014.db2.gz WKYQXYCLSGSWCJ-ZETCQYMHSA-N 1 0 254.252 2.105 10 0 CEAERO CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H](CCO)[NH2+]C1CC1 ZINC000095086194 278387001 /nfs/dbraw/zinc/38/70/01/278387001.db2.gz HTJWTDQXKSHSTP-ZIAGYGMSSA-N 1 0 298.427 2.279 10 0 CEAERO C[C@H]1C[C@H]1NC(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000115674942 278502014 /nfs/dbraw/zinc/50/20/14/278502014.db2.gz ZVDORPXRMAGSPY-OOJKYFRXSA-N 1 0 279.428 2.301 10 0 CEAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000282244844 278509479 /nfs/dbraw/zinc/50/94/79/278509479.db2.gz GEXAOCFNUIVURV-SKDRFNHKSA-N 1 0 286.297 2.462 10 0 CEAERO CCC1CCC(NC(=O)[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000094647557 278651825 /nfs/dbraw/zinc/65/18/25/278651825.db2.gz KKLCZMYZXFIYAB-ABXWRUBCSA-N 1 0 252.402 2.460 10 0 CEAERO CCCN(C(=O)[C@H]1C[C@]1(C)CC)C1CC[NH2+]CC1 ZINC000163311357 278748198 /nfs/dbraw/zinc/74/81/98/278748198.db2.gz LZZJXQXFGKUYDP-HIFRSBDPSA-N 1 0 252.402 2.413 10 0 CEAERO Cc1ccc(-c2nc(C)c(C(=O)NCC[C@@H](C)[NH3+])s2)o1 ZINC000178677415 278769351 /nfs/dbraw/zinc/76/93/51/278769351.db2.gz LIMVSEKNAGKMDX-MRVPVSSYSA-N 1 0 293.392 2.487 10 0 CEAERO Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)cc1 ZINC000261972840 278807262 /nfs/dbraw/zinc/80/72/62/278807262.db2.gz QSXPWYNIPFNFOO-ZACQAIPSSA-N 1 0 274.408 2.242 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCc2ccc(F)cc21 ZINC000235297625 279030088 /nfs/dbraw/zinc/03/00/88/279030088.db2.gz TZTVSVKBCNBAPR-GWCFXTLKSA-N 1 0 262.328 2.103 10 0 CEAERO Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000341494259 279054892 /nfs/dbraw/zinc/05/48/92/279054892.db2.gz WSCLOXAALHUCCF-DDFAGTSDSA-N 1 0 251.374 2.320 10 0 CEAERO CC(C)C[C@]1(CO)CCC[N@@H+]1C[C@H](O)COC(C)(C)C ZINC000191659697 279239515 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CCCC1CCN(C(=O)c2ccc(NN)[nH+]c2)CC1 ZINC000051126170 519900108 /nfs/dbraw/zinc/90/01/08/519900108.db2.gz CFSRSJYRJYPOTM-UHFFFAOYSA-N 1 0 262.357 2.020 10 0 CEAERO CC[NH2+]CCC(=O)N(C)C1C2CC3CC(C2)CC1C3 ZINC000061295070 519915316 /nfs/dbraw/zinc/91/53/16/519915316.db2.gz IQPFUOLOAOMMNJ-UHFFFAOYSA-N 1 0 264.413 2.269 10 0 CEAERO CC[NH2+]CCCCCOc1ccc(S(C)(=O)=O)cc1 ZINC000052702212 519918932 /nfs/dbraw/zinc/91/89/32/519918932.db2.gz MKMZBSZPVQGGOL-UHFFFAOYSA-N 1 0 285.409 2.249 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000061233479 519937941 /nfs/dbraw/zinc/93/79/41/519937941.db2.gz RPXZBOCQUAFVDA-OUAUKWLOSA-N 1 0 280.334 2.469 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N[C@@H](C)c1ccc(C)s1 ZINC000061267743 519962825 /nfs/dbraw/zinc/96/28/25/519962825.db2.gz GJPBYBIDMDISJY-ONGXEEELSA-N 1 0 254.399 2.479 10 0 CEAERO CCC[NH2+]Cc1cnc(N2CCO[C@H](CC)C2)s1 ZINC000054903594 519966472 /nfs/dbraw/zinc/96/64/72/519966472.db2.gz HVBJFXUAAGWWFB-LLVKDONJSA-N 1 0 269.414 2.258 10 0 CEAERO CCCN[C@@H](CC[N@H+](C)C(CC)CC)C(=O)OCC ZINC000062448812 519993121 /nfs/dbraw/zinc/99/31/21/519993121.db2.gz HRZMVXSOMZQNPC-AWEZNQCLSA-N 1 0 272.433 2.428 10 0 CEAERO CCC[NH2+][C@@H](CC)CS(=O)(=O)c1ccccc1 ZINC000061702704 519993685 /nfs/dbraw/zinc/99/36/85/519993685.db2.gz YJUKWFCYNSUSQA-LBPRGKRZSA-N 1 0 255.383 2.239 10 0 CEAERO CCCN[C@@H](CC[N@H+](CC(C)C)C(C)C)C(=O)OC ZINC000062525418 519995624 /nfs/dbraw/zinc/99/56/24/519995624.db2.gz NMVNYDJTZAYNIS-AWEZNQCLSA-N 1 0 272.433 2.284 10 0 CEAERO CCC[NH2+][C@@H](CC[NH+]1CCC(CCC)CC1)C(=O)[O-] ZINC000062531109 519998856 /nfs/dbraw/zinc/99/88/56/519998856.db2.gz XDEASZAIBBQHNN-AWEZNQCLSA-N 1 0 270.417 2.341 10 0 CEAERO CCCN[C@@](C)(C[C@H](C)[N@H+](CC(C)C)C(C)C)C(N)=O ZINC000068637675 520044541 /nfs/dbraw/zinc/04/45/41/520044541.db2.gz ZUMMPALWEWLADR-HOCLYGCPSA-N 1 0 285.476 2.375 10 0 CEAERO CCCN[C@H](CC[N@@H+]1CCC[C@@H]1CC)C(=O)OCC ZINC000062435737 520073540 /nfs/dbraw/zinc/07/35/40/520073540.db2.gz VSHUTVYKYKMVDG-UONOGXRCSA-N 1 0 270.417 2.182 10 0 CEAERO CC[NH2+][C@@H](CCOC)c1ccc(OC)cc1OC ZINC000055232913 520090614 /nfs/dbraw/zinc/09/06/14/520090614.db2.gz AGKAGVOQNRNRKK-ZDUSSCGKSA-N 1 0 253.342 2.391 10 0 CEAERO CCCN[C@](C[NH+](CC(C)C)CC(C)C)(C(N)=O)C1CC1 ZINC000069100874 520118648 /nfs/dbraw/zinc/11/86/48/520118648.db2.gz VHLXUEQOPBYSSF-KRWDZBQOSA-N 1 0 297.487 2.234 10 0 CEAERO CC[NH2+][C@@H]1CCN([C@H]2CCCc3sccc32)C1=O ZINC000061363719 520121447 /nfs/dbraw/zinc/12/14/47/520121447.db2.gz JZVZKPSCCLMESQ-NEPJUHHUSA-N 1 0 264.394 2.336 10 0 CEAERO CC[NH2+][C@@](C)(C[C@@H](C)Oc1cccc(CC)c1)C(N)=O ZINC000068654363 520141806 /nfs/dbraw/zinc/14/18/06/520141806.db2.gz RWELAHOQDPTQQV-WBMJQRKESA-N 1 0 278.396 2.260 10 0 CEAERO CCCCC[N@H+](C)CC[C@H](NCCC)C(=O)OC ZINC000062447574 520148875 /nfs/dbraw/zinc/14/88/75/520148875.db2.gz WIROBCCBBPCDGF-ZDUSSCGKSA-N 1 0 258.406 2.040 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1cccc(COC)c1 ZINC000061270170 520170645 /nfs/dbraw/zinc/17/06/45/520170645.db2.gz DGJKHXSDZAAMFM-LLVKDONJSA-N 1 0 250.342 2.160 10 0 CEAERO CC[NH2+][C@](C)(CCC[N@H+](C)C(C)(C)CC)C(=O)[O-] ZINC000069446694 520227689 /nfs/dbraw/zinc/22/76/89/520227689.db2.gz GIHVXUITKCBINC-CQSZACIVSA-N 1 0 258.406 2.340 10 0 CEAERO CCCC[N@H+](CC)C[C@@](NC(C)C)(C(=O)OC)C1CC1 ZINC000069090268 520479243 /nfs/dbraw/zinc/47/92/43/520479243.db2.gz JWCSHTSZTYUCTK-INIZCTEOSA-N 1 0 284.444 2.428 10 0 CEAERO CCOC(=O)[C@@H](C)Oc1c(C)cc(C[NH2+]C)cc1C ZINC000049954679 521032932 /nfs/dbraw/zinc/03/29/32/521032932.db2.gz LPBPULZUPNWLNO-GFCCVEGCSA-N 1 0 265.353 2.353 10 0 CEAERO CCOC(=O)[C@@](N)(C[N@H+](CC)CC(CC)CC)C1CC1 ZINC000069132107 521172200 /nfs/dbraw/zinc/17/22/00/521172200.db2.gz BOQDACQVRSQTTM-MRXNPFEDSA-N 1 0 284.444 2.415 10 0 CEAERO CCC(C)(C)[N@H+](C)C[C@@](N)(C(=O)OC)c1ccccc1 ZINC000069443452 521303373 /nfs/dbraw/zinc/30/33/73/521303373.db2.gz ZOGMFAZJXDZVFR-INIZCTEOSA-N 1 0 278.396 2.134 10 0 CEAERO CCCN(C)c1nc(CC)c(C[NH2+]CCOC)s1 ZINC000054996406 521519044 /nfs/dbraw/zinc/51/90/44/521519044.db2.gz KHUNOYASGWNHFM-UHFFFAOYSA-N 1 0 271.430 2.288 10 0 CEAERO CCCn1c(S[C@@H](c2cccs2)[C@@H](C)[NH3+])n[nH]c1=O ZINC000061594857 521635577 /nfs/dbraw/zinc/63/55/77/521635577.db2.gz GQHAAMTVIZIGKV-PSASIEDQSA-N 1 0 298.437 2.224 10 0 CEAERO CCS(=O)(=O)CC[C@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+] ZINC000054630584 521646080 /nfs/dbraw/zinc/64/60/80/521646080.db2.gz ZBIIHIUBMAYBKK-AGIUHOORSA-N 1 0 261.431 2.211 10 0 CEAERO C[NH2+]C(C)(C)C(=O)Nc1ccccc1N1CCCC1 ZINC000061300766 521944162 /nfs/dbraw/zinc/94/41/62/521944162.db2.gz OMAGFQWJILDQBF-UHFFFAOYSA-N 1 0 261.369 2.223 10 0 CEAERO C[NH2+]C[C@H](C)N(C)Cc1ccccc1Br ZINC000052541169 522073018 /nfs/dbraw/zinc/07/30/18/522073018.db2.gz GPDSIPFOUWLTOX-JTQLQIEISA-N 1 0 271.202 2.489 10 0 CEAERO C[NH2+]Cc1cnc(N(CC(F)(F)F)C2CC2)s1 ZINC000054906163 522147137 /nfs/dbraw/zinc/14/71/37/522147137.db2.gz LOLZENRYURLGSR-UHFFFAOYSA-N 1 0 265.304 2.394 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)N1CC[C@H](c2ccccc2)C1 ZINC000050600290 522227457 /nfs/dbraw/zinc/22/74/57/522227457.db2.gz IFJVTRMLYLUULD-HIFRSBDPSA-N 1 0 260.381 2.391 10 0 CEAERO C[NH2+][C@@H](CS(=O)(=O)c1ccccc1)C(C)(C)C ZINC000061702749 522357429 /nfs/dbraw/zinc/35/74/29/522357429.db2.gz BFOZDVAJOVVGHA-LBPRGKRZSA-N 1 0 255.383 2.094 10 0 CEAERO CCc1nc(N2CCCSCC2)sc1C[NH2+]C ZINC000055002204 522386194 /nfs/dbraw/zinc/38/61/94/522386194.db2.gz GOIFEUUXOKLQRV-UHFFFAOYSA-N 1 0 271.455 2.368 10 0 CEAERO C[NH2+][C@H](c1ccc(OC)c(Cl)c1)[C@H]1COCCO1 ZINC000055299274 522480171 /nfs/dbraw/zinc/48/01/71/522480171.db2.gz JYDWRPQBGOATRP-CHWSQXEVSA-N 1 0 271.744 2.025 10 0 CEAERO CCc1nccn1Cc1cc(C[NH2+]C(C)(C)C)no1 ZINC000052592995 522587782 /nfs/dbraw/zinc/58/77/82/522587782.db2.gz NYRGVEXGZSGTAS-UHFFFAOYSA-N 1 0 262.357 2.370 10 0 CEAERO C[C@H]1OCC[C@H]1[NH2+]CC(=O)Nc1ccccc1Cl ZINC000149678547 534127991 /nfs/dbraw/zinc/12/79/91/534127991.db2.gz PVUCBTOXHMFCGP-MWLCHTKSSA-N 1 0 268.744 2.046 10 0 CEAERO Brc1ccsc1CO[C@@H]1CC[NH2+]C1 ZINC000051782822 518229043 /nfs/dbraw/zinc/22/90/43/518229043.db2.gz KHNJRXAYZARPAE-SSDOTTSWSA-N 1 0 262.172 2.389 10 0 CEAERO CC(C)(C)C1CCC(C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000054667611 518603820 /nfs/dbraw/zinc/60/38/20/518603820.db2.gz HTWHORTZBAIWQB-JXQTWKCFSA-N 1 0 282.428 2.025 10 0 CEAERO CC(C)(C)[NH2+]CCCSc1ncnc2[nH]cnc21 ZINC000051037039 518755914 /nfs/dbraw/zinc/75/59/14/518755914.db2.gz YLFLGUHZLLKPTE-UHFFFAOYSA-N 1 0 265.386 2.223 10 0 CEAERO CC(C)(C)[NH2+]CCCc1nnc(CC(F)(F)F)o1 ZINC000050617833 518757036 /nfs/dbraw/zinc/75/70/36/518757036.db2.gz YSAMSHYPARWKNB-UHFFFAOYSA-N 1 0 265.279 2.495 10 0 CEAERO CC(C)(C)[NH2+]C[C@@H]1CC[C@@H](Cn2cc(Cl)cn2)O1 ZINC000052577287 518760755 /nfs/dbraw/zinc/76/07/55/518760755.db2.gz GJKMQEUBZMCUCX-RYUDHWBXSA-N 1 0 271.792 2.472 10 0 CEAERO CC(C)(C)[NH2+]Cc1ccc(-n2cc(Cl)cn2)nn1 ZINC000051492768 518763999 /nfs/dbraw/zinc/76/39/99/518763999.db2.gz JAXIBCUCGVLXMT-UHFFFAOYSA-N 1 0 265.748 2.204 10 0 CEAERO CC(C)(C)[NH2+]Cc1ccccc1N1CCCC[C@H]1C(N)=O ZINC000062737535 518765901 /nfs/dbraw/zinc/76/59/01/518765901.db2.gz KLOBUOQPCMTDRC-HNNXBMFYSA-N 1 0 289.423 2.419 10 0 CEAERO CC(C)(C)[NH2+]Cc1nnnn1[C@@H]1CCCc2ccccc21 ZINC000054746454 518771266 /nfs/dbraw/zinc/77/12/66/518771266.db2.gz UAQKGAUZDIGCRI-CQSZACIVSA-N 1 0 285.395 2.487 10 0 CEAERO CC(C)(C)OC(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC000062540122 518813206 /nfs/dbraw/zinc/81/32/06/518813206.db2.gz RPQLSPICDQOZBI-UHFFFAOYSA-N 1 0 264.325 2.279 10 0 CEAERO CC(C)([NH3+])CCc1nc(Cc2ccc(O)cc2)no1 ZINC000050196437 519299347 /nfs/dbraw/zinc/29/93/47/519299347.db2.gz KFYCHVUGNJXQJV-UHFFFAOYSA-N 1 0 261.325 2.036 10 0 CEAERO CC(C)N(CC(F)(F)F)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000055089503 519638337 /nfs/dbraw/zinc/63/83/37/519638337.db2.gz STTAIXBWAKHNHC-NXEZZACHSA-N 1 0 266.307 2.303 10 0 CEAERO CC(C)CCC[C@@H](C)NC(=O)c1cc[nH+]c(NN)c1 ZINC000051124880 519645392 /nfs/dbraw/zinc/64/53/92/519645392.db2.gz DILFSHCUDKMWMU-LLVKDONJSA-N 1 0 264.373 2.312 10 0 CEAERO CC(C)CC[NH2+]CCn1ncc(=O)c2ccccc21 ZINC000053532838 519663328 /nfs/dbraw/zinc/66/33/28/519663328.db2.gz OMJFKDAGUCMFPD-UHFFFAOYSA-N 1 0 259.353 2.032 10 0 CEAERO CC(=O)NCC[NH2+]C1c2ccccc2Cc2ccccc21 ZINC000061669798 519667355 /nfs/dbraw/zinc/66/73/55/519667355.db2.gz YIJFSSCQDRDNQS-UHFFFAOYSA-N 1 0 280.371 2.406 10 0 CEAERO CC(C)CC[C@@H](C)[NH2+]CCn1nnc2ccccc2c1=O ZINC000053532220 519682292 /nfs/dbraw/zinc/68/22/92/519682292.db2.gz QCRYDUKGVOXGQX-CYBMUJFWSA-N 1 0 288.395 2.206 10 0 CEAERO CC(C)[NH2+]Cc1cc(CN2CCO[C@H]3CCCC[C@@H]32)on1 ZINC000052573134 519726181 /nfs/dbraw/zinc/72/61/81/519726181.db2.gz WKDXHVDMCZEHKW-HOTGVXAUSA-N 1 0 293.411 2.316 10 0 CEAERO CC(C)C[NH+]1CCN(C[C@@H]2CCCCCC2=O)CC1 ZINC000055081649 519726361 /nfs/dbraw/zinc/72/63/61/519726361.db2.gz SZVGCBPPFKCVOX-HNNXBMFYSA-N 1 0 266.429 2.409 10 0 CEAERO CC(C)[NH2+]Cc1cccc(N2CCO[C@@H]3CCC[C@@H]32)n1 ZINC000051485522 519727274 /nfs/dbraw/zinc/72/72/74/519727274.db2.gz WFQRFQXNWHVVGR-LSDHHAIUSA-N 1 0 275.396 2.337 10 0 CEAERO CC(C)C[NH+]1CCN(c2ccc(F)cc2CO)CC1 ZINC000055080023 519728430 /nfs/dbraw/zinc/72/84/30/519728430.db2.gz BEUUEMGDVVSVIF-UHFFFAOYSA-N 1 0 266.360 2.096 10 0 CEAERO CC(C)[NH2+]Cc1cnc(N2CCOCC2(C)C)s1 ZINC000054909167 519728675 /nfs/dbraw/zinc/72/86/75/519728675.db2.gz WAIYBWWUHVXIGW-UHFFFAOYSA-N 1 0 269.414 2.256 10 0 CEAERO CC(=O)Nc1ccc([C@@H](O)[C@H]([NH3+])c2ccccc2)cc1 ZINC000054682910 519733383 /nfs/dbraw/zinc/73/33/83/519733383.db2.gz ZLQSURNZDYZUTF-HZPDHXFCSA-N 1 0 270.332 2.378 10 0 CEAERO CC(C)N[C@](C)(C[C@@H](C)[NH+]1CCCCCCC1)C(N)=O ZINC000068617397 519739773 /nfs/dbraw/zinc/73/97/73/519739773.db2.gz XYQVDSRUJOLPIN-GDBMZVCRSA-N 1 0 283.460 2.273 10 0 CEAERO CC(C)C[NH2+]C[C@@H](C)Oc1cccc(S(C)(=O)=O)c1 ZINC000052701411 519745026 /nfs/dbraw/zinc/74/50/26/519745026.db2.gz PASPAPZUYXYLMC-GFCCVEGCSA-N 1 0 285.409 2.103 10 0 CEAERO CC(C)C[NH2+]C[C@H](C)[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000052967333 519746130 /nfs/dbraw/zinc/74/61/30/519746130.db2.gz DFZPWQBQTAERSS-JSGCOSHPSA-N 1 0 281.421 2.439 10 0 CEAERO CC(C)C[NH2+]Cc1cc(F)ccc1N1CC[C@@H](O)C1 ZINC000062738259 519747229 /nfs/dbraw/zinc/74/72/29/519747229.db2.gz LXGSHYUWZFANMD-CQSZACIVSA-N 1 0 266.360 2.142 10 0 CEAERO CC(C)C[NH2+]Cc1cccc(N2CCCOCC2)n1 ZINC000061935385 519747382 /nfs/dbraw/zinc/74/73/82/519747382.db2.gz MORGVIISJGMIDB-UHFFFAOYSA-N 1 0 263.385 2.054 10 0 CEAERO CC(C)[C@@H](CN(C)C)[NH2+]C[C@H](O)c1cc(F)ccc1F ZINC000049204646 519793585 /nfs/dbraw/zinc/79/35/85/519793585.db2.gz WKFUBKNBKSBAMW-CABCVRRESA-N 1 0 286.366 2.174 10 0 CEAERO CC(C)[C@@H](CN(C)C)[NH2+]Cc1cccc2c1OCCO2 ZINC000049197704 519793679 /nfs/dbraw/zinc/79/36/79/519793679.db2.gz XXJIGMIMHKNXIP-CQSZACIVSA-N 1 0 278.396 2.134 10 0 CEAERO CC(C)[C@@H]1CC[C@@H](O)[C@H]([N@@H+]2CCOCC2(C)C)C1 ZINC000054558445 519803458 /nfs/dbraw/zinc/80/34/58/519803458.db2.gz XTGACXIGWYAXEE-MGPQQGTHSA-N 1 0 255.402 2.283 10 0 CEAERO CC(C)[C@H](CNC(=O)Cc1ccccc1)[NH+]1CCCC1 ZINC000049736642 519815466 /nfs/dbraw/zinc/81/54/66/519815466.db2.gz SDOHAKUVCAYXFY-INIZCTEOSA-N 1 0 274.408 2.466 10 0 CEAERO CCC1CC[NH+](CC(=O)Nc2ccccc2N)CC1 ZINC000048906992 519859324 /nfs/dbraw/zinc/85/93/24/519859324.db2.gz CHLSVWPSMVLLNO-UHFFFAOYSA-N 1 0 261.369 2.329 10 0 CEAERO CCCNC(=O)C[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000057539847 519882002 /nfs/dbraw/zinc/88/20/02/519882002.db2.gz UAZVXROWHOBBJX-NSHDSACASA-N 1 0 254.761 2.299 10 0 CEAERO CCCC1(C(=O)NCc2nc(C)cs2)CC[NH2+]CC1 ZINC000062849374 519888177 /nfs/dbraw/zinc/88/81/77/519888177.db2.gz WXUWOCLOIXXUKI-UHFFFAOYSA-N 1 0 281.425 2.238 10 0 CEAERO CCCNC(=O)[C@@H](C)Oc1cccc2c1CC[C@H]2[NH2+]C ZINC000062799278 519889294 /nfs/dbraw/zinc/88/92/94/519889294.db2.gz YRVUIVNUNZLSRV-BXUZGUMPSA-N 1 0 276.380 2.187 10 0 CEAERO CCCC1CCC([NH2+]C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC000049545375 519898695 /nfs/dbraw/zinc/89/86/95/519898695.db2.gz WEVCQQRDXJDZDS-BACDZXNISA-N 1 0 299.455 2.491 10 0 CEAERO CCCC1CCC([NH2+]C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000049545377 519898963 /nfs/dbraw/zinc/89/89/63/519898963.db2.gz WEVCQQRDXJDZDS-SJJHQCBESA-N 1 0 299.455 2.491 10 0 CEAERO CCCC1CCN(C(=O)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000070256084 519900143 /nfs/dbraw/zinc/90/01/43/519900143.db2.gz CUWFGHPCNDAHPA-CQSZACIVSA-N 1 0 264.413 2.415 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N(Cc1ccco1)C1CC1 ZINC000061294767 519904108 /nfs/dbraw/zinc/90/41/08/519904108.db2.gz LJMYGDOPMQWFEA-UHFFFAOYSA-N 1 0 250.342 2.159 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N[C@@H](C)c1sc(C)nc1C ZINC000061298214 519905649 /nfs/dbraw/zinc/90/56/49/519905649.db2.gz RRMPPSKZZSQVCS-VIFPVBQESA-N 1 0 269.414 2.325 10 0 CEAERO CCC[NH2+]C1CCN(CCOCC(F)(F)F)CC1 ZINC000049310448 519906612 /nfs/dbraw/zinc/90/66/12/519906612.db2.gz XZDVAEDHPMQISX-UHFFFAOYSA-N 1 0 268.323 2.029 10 0 CEAERO CC[NH2+]CCC(=O)N1CCC[C@@H]1c1ccc(OC)cc1 ZINC000061294063 519915635 /nfs/dbraw/zinc/91/56/35/519915635.db2.gz RPRDMLKSDUKLAS-OAHLLOKOSA-N 1 0 276.380 2.358 10 0 CEAERO CC[NH2+]CCC(=O)Nc1cc(Cl)ccc1N(C)C ZINC000061292421 519917879 /nfs/dbraw/zinc/91/78/79/519917879.db2.gz FIYKJUAARRZDRY-UHFFFAOYSA-N 1 0 269.776 2.344 10 0 CEAERO CCC[NH2+]CCO[C@H](C)C(=O)Nc1ccccc1 ZINC000051844636 519918369 /nfs/dbraw/zinc/91/83/69/519918369.db2.gz FCGCGYVCUGOENM-GFCCVEGCSA-N 1 0 250.342 2.030 10 0 CEAERO CCC[NH2+]C[C@@H](C)Oc1c(OC)cccc1OC ZINC000052650089 519921158 /nfs/dbraw/zinc/92/11/58/519921158.db2.gz SSMHBCNUNMJWFX-LLVKDONJSA-N 1 0 253.342 2.471 10 0 CEAERO CCC[NH2+]C[C@@H](OCCOC)c1ccc(OC)cc1 ZINC000050495545 519921822 /nfs/dbraw/zinc/92/18/22/519921822.db2.gz GINPMOVQGPLCNM-OAHLLOKOSA-N 1 0 267.369 2.399 10 0 CEAERO CC[NH2+]CCS(=O)(=O)Nc1cccc2ccccc21 ZINC000049632406 519928594 /nfs/dbraw/zinc/92/85/94/519928594.db2.gz UMHKIJVAODQKJB-UHFFFAOYSA-N 1 0 278.377 2.191 10 0 CEAERO CCC[NH2+]C[C@@]1(CN(CC)CC(F)(F)F)CCOC1 ZINC000051250325 519929936 /nfs/dbraw/zinc/92/99/36/519929936.db2.gz KDTQJBJJEDXXDR-GFCCVEGCSA-N 1 0 282.350 2.277 10 0 CEAERO CCC[NH2+]C[C@H](C)COc1ccc(S(C)(=O)=O)cc1 ZINC000052702045 519931158 /nfs/dbraw/zinc/93/11/58/519931158.db2.gz ARSMGGVGHJFVBO-LBPRGKRZSA-N 1 0 285.409 2.105 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N(Cc1cccc(O)c1)C1CC1 ZINC000061265920 519933605 /nfs/dbraw/zinc/93/36/05/519933605.db2.gz GEMCNJOKVDTXCP-GFCCVEGCSA-N 1 0 276.380 2.129 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)NCCCOC1CCCCC1 ZINC000061267176 519934070 /nfs/dbraw/zinc/93/40/70/519934070.db2.gz PHXVCIWOLVYFII-CYBMUJFWSA-N 1 0 270.417 2.088 10 0 CEAERO CCC[NH2+]C[C@H]1CC[C@@H](Cn2cc(Cl)cn2)O1 ZINC000052577276 519938918 /nfs/dbraw/zinc/93/89/18/519938918.db2.gz AYTAFZALFAJZLO-NEPJUHHUSA-N 1 0 257.765 2.084 10 0 CEAERO CCC[NH2+]C[C@H]1CC[C@@H](Cn2cnc(C)c2C)O1 ZINC000052593706 519939026 /nfs/dbraw/zinc/93/90/26/519939026.db2.gz GLQBWLQZJNPZBS-KGLIPLIRSA-N 1 0 251.374 2.047 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccc(NC(=O)C(C)C)cc1 ZINC000061231280 519940902 /nfs/dbraw/zinc/94/09/02/519940902.db2.gz YPVYRLLUWGBJLJ-GFCCVEGCSA-N 1 0 291.395 2.465 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000061231021 519941943 /nfs/dbraw/zinc/94/19/43/519941943.db2.gz AKPATLQJBSXGAD-GFCCVEGCSA-N 1 0 272.352 2.056 10 0 CEAERO CCC[NH2+]Cc1c(C)nn([C@H]2CCCC[C@@H]2O)c1C ZINC000054599986 519942441 /nfs/dbraw/zinc/94/24/41/519942441.db2.gz WIEHQQPOXIXRJF-GJZGRUSLSA-N 1 0 265.401 2.476 10 0 CEAERO CCC[NH2+]Cc1c(C)nn(Cc2nccn2CC)c1C ZINC000054743858 519943172 /nfs/dbraw/zinc/94/31/72/519943172.db2.gz PTQRYIFINUMAFU-UHFFFAOYSA-N 1 0 275.400 2.264 10 0 CEAERO CC[NH2+]C[C@@H]1CC[C@@H](COc2ccc(OC)cc2)O1 ZINC000052676868 519952836 /nfs/dbraw/zinc/95/28/36/519952836.db2.gz FKKWEFPUGMBKFZ-GJZGRUSLSA-N 1 0 265.353 2.231 10 0 CEAERO CC[NH2+]C[C@@](CC)(CCS(C)(=O)=O)c1ccccc1 ZINC000054659300 519957987 /nfs/dbraw/zinc/95/79/87/519957987.db2.gz KJSNPCAJVQWGGW-OAHLLOKOSA-N 1 0 283.437 2.379 10 0 CEAERO CCC[NH2+]Cc1ccoc1CN1CCOC[C@@H]1CC ZINC000052481429 519958889 /nfs/dbraw/zinc/95/88/89/519958889.db2.gz BUHIGJCXDGZJHR-AWEZNQCLSA-N 1 0 266.385 2.390 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N[C@@H](C)c1cc(OC)ccc1OC ZINC000061232813 519963327 /nfs/dbraw/zinc/96/33/27/519963327.db2.gz HGFYKWMIXKYYJT-RYUDHWBXSA-N 1 0 294.395 2.127 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N[C@H](C)c1ccc(OC)cc1OC ZINC000061230868 519964481 /nfs/dbraw/zinc/96/44/81/519964481.db2.gz WQMDQARQMWHQBF-NWDGAFQWSA-N 1 0 294.395 2.127 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1cc(C(=O)OC)ccc1Cl ZINC000061232456 519966540 /nfs/dbraw/zinc/96/65/40/519966540.db2.gz CAFXQHOYMPUBBE-VIFPVBQESA-N 1 0 298.770 2.311 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccc(C)c(O)c1C ZINC000061233204 519967615 /nfs/dbraw/zinc/96/76/15/519967615.db2.gz JGLVIIPWJBJUNA-JTQLQIEISA-N 1 0 250.342 2.193 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccc(C)c(NC(C)=O)c1 ZINC000061234092 519967624 /nfs/dbraw/zinc/96/76/24/519967624.db2.gz JLODNUPYLVJNIW-NSHDSACASA-N 1 0 277.368 2.138 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccc(NC(=O)CC)cc1 ZINC000061232724 519967711 /nfs/dbraw/zinc/96/77/11/519967711.db2.gz WULFBKDOXDUVLM-NSHDSACASA-N 1 0 277.368 2.219 10 0 CEAERO CC[NH2+]C[C@H](C)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000061219060 519971267 /nfs/dbraw/zinc/97/12/67/519971267.db2.gz BUVDVWBZIPCONT-JTQLQIEISA-N 1 0 275.352 2.437 10 0 CEAERO CCC[NH2+]Cc1sc(N2CCOC[C@@H]2C)nc1C ZINC000054997326 519975421 /nfs/dbraw/zinc/97/54/21/519975421.db2.gz HZVXDITVPSTFBS-JTQLQIEISA-N 1 0 269.414 2.176 10 0 CEAERO CCC[NH2+][C@@H](C)[C@H]1CCCCN1c1ccnc(N(C)C)n1 ZINC000068689920 519987443 /nfs/dbraw/zinc/98/74/43/519987443.db2.gz SDHXLFSEJUBDND-UONOGXRCSA-N 1 0 291.443 2.290 10 0 CEAERO CCC[NH2+][C@@H](C)[C@@H]1CCCCN1c1ccnc(N(C)C)n1 ZINC000068689918 519987698 /nfs/dbraw/zinc/98/76/98/519987698.db2.gz SDHXLFSEJUBDND-KBPBESRZSA-N 1 0 291.443 2.290 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N[C@@H]2C[C@@H]2C)cc1 ZINC000052295373 519988304 /nfs/dbraw/zinc/98/83/04/519988304.db2.gz YYMRFPDGNMSQPX-SLEUVZQESA-N 1 0 296.436 2.434 10 0 CEAERO CCC[NH2+][C@@H](C)c1sc(N2CCOCC2)nc1C ZINC000054900025 519991488 /nfs/dbraw/zinc/99/14/88/519991488.db2.gz DFXJVEFMOMJVTQ-JTQLQIEISA-N 1 0 269.414 2.349 10 0 CEAERO CCOCCOC[C@H](O)C[NH2+][C@@H](CC)C1CCCCC1 ZINC000052338846 519998295 /nfs/dbraw/zinc/99/82/95/519998295.db2.gz GLMOODSJTFCPPT-CVEARBPZSA-N 1 0 287.444 2.349 10 0 CEAERO CC[NH2+]Cc1ccc(OCCN2C[C@H](C)OC[C@@H]2C)cc1 ZINC000052476514 519999697 /nfs/dbraw/zinc/99/96/97/519999697.db2.gz BODZCLDHNADGKG-GJZGRUSLSA-N 1 0 292.423 2.284 10 0 CEAERO CC[NH2+]Cc1ccccc1CN1CCO[C@H](CC)C1 ZINC000052477393 520008421 /nfs/dbraw/zinc/00/84/21/520008421.db2.gz BEBODMVKHIYNCF-MRXNPFEDSA-N 1 0 262.397 2.407 10 0 CEAERO CC(C)n1ccnc(NCC[NH+]2CCCCCC2)c1=O ZINC000061764454 520020232 /nfs/dbraw/zinc/02/02/32/520020232.db2.gz DTPDSESYITZTGA-UHFFFAOYSA-N 1 0 278.400 2.112 10 0 CEAERO CCC[NH2+][C@@H]1COc2cc(OCc3ncon3)ccc21 ZINC000062805057 520026196 /nfs/dbraw/zinc/02/61/96/520026196.db2.gz IXWBCPBWXUZVRZ-GFCCVEGCSA-N 1 0 275.308 2.082 10 0 CEAERO CC[NH2+]Cc1oc(Cn2nnc3ccccc32)cc1C ZINC000052576770 520031730 /nfs/dbraw/zinc/03/17/30/520031730.db2.gz VQFRULQTPXZLIR-UHFFFAOYSA-N 1 0 270.336 2.491 10 0 CEAERO CC[NH2+]Cc1sc(N2CCOC[C@H]2CC)nc1CC ZINC000054997927 520035065 /nfs/dbraw/zinc/03/50/65/520035065.db2.gz FZHUHIFPGKSAAZ-LLVKDONJSA-N 1 0 283.441 2.430 10 0 CEAERO CCCN[C@@](C[N@H+](C)CC1CCCCC1)(C(N)=O)C1CC1 ZINC000069183947 520050982 /nfs/dbraw/zinc/05/09/82/520050982.db2.gz APEFRAUXSIOGNC-QGZVFWFLSA-N 1 0 295.471 2.132 10 0 CEAERO CCC[NH2+][C@@](COc1ccc(C)c(C)c1)(C(N)=O)C1CC1 ZINC000069197326 520057585 /nfs/dbraw/zinc/05/75/85/520057585.db2.gz TWRVXRBDTVDEQG-QGZVFWFLSA-N 1 0 290.407 2.316 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N(C)Cc1ccc(OC)c(F)c1 ZINC000061271460 520060366 /nfs/dbraw/zinc/06/03/66/520060366.db2.gz RTESBVMPIGYSPP-NSHDSACASA-N 1 0 282.359 2.181 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N1CC[C@H](c2ccccc2)C1 ZINC000061274625 520063244 /nfs/dbraw/zinc/06/32/44/520063244.db2.gz ATKUYMOQOCHDQR-ZFWWWQNUSA-N 1 0 260.381 2.391 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1cc(C)ccc1OC ZINC000061268954 520068791 /nfs/dbraw/zinc/06/87/91/520068791.db2.gz NMLBEMGKJWMQNZ-NSHDSACASA-N 1 0 250.342 2.330 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1cccc(Cn2ccnc2)c1 ZINC000061270083 520071162 /nfs/dbraw/zinc/07/11/62/520071162.db2.gz LKYYNBVQQOKTIJ-ZDUSSCGKSA-N 1 0 286.379 2.258 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(F)cc1OCC(=O)OCC ZINC000062746986 520075979 /nfs/dbraw/zinc/07/59/79/520075979.db2.gz JJGSJYIAUVDUCW-JTQLQIEISA-N 1 0 269.316 2.438 10 0 CEAERO CC[NH2+][C@@H](C)c1cccc(OC[C@@H](O)COCC)c1 ZINC000069275363 520078223 /nfs/dbraw/zinc/07/82/23/520078223.db2.gz SQKYKIXMSXWIBK-JSGCOSHPSA-N 1 0 267.369 2.133 10 0 CEAERO CCC[NH2+][C@H](COC)Cc1ccc(Br)cn1 ZINC000063026130 520083643 /nfs/dbraw/zinc/08/36/43/520083643.db2.gz JTYMPCNVMROULN-LBPRGKRZSA-N 1 0 287.201 2.401 10 0 CEAERO CCC[NH2+][C@H](c1ccccc1)[C@H](C)S(C)(=O)=O ZINC000054930507 520089985 /nfs/dbraw/zinc/08/99/85/520089985.db2.gz ILUQKVBKOSXEIR-AAEUAGOBSA-N 1 0 255.383 2.160 10 0 CEAERO CCC[NH2+][C@H]1CCN(c2cc(F)c(F)cc2F)C1=O ZINC000061094240 520096464 /nfs/dbraw/zinc/09/64/64/520096464.db2.gz KPYLOQKGDMERLE-NSHDSACASA-N 1 0 272.270 2.209 10 0 CEAERO CCC[NH2+][C@H]1COc2cc(OCc3nc(C)no3)ccc21 ZINC000062805054 520098678 /nfs/dbraw/zinc/09/86/78/520098678.db2.gz PNQSKVNFCNBJRM-ZDUSSCGKSA-N 1 0 289.335 2.390 10 0 CEAERO CCN(C(=O)c1cccc(F)c1F)[C@@H]1CCC[NH2+]C1 ZINC000054188604 520098796 /nfs/dbraw/zinc/09/87/96/520098796.db2.gz FCHMOKKVNXWPAS-SNVBAGLBSA-N 1 0 268.307 2.179 10 0 CEAERO CCOC[C@@H](O)C[NH2+][C@@H](c1cccs1)C(C)C ZINC000069278128 520104058 /nfs/dbraw/zinc/10/40/58/520104058.db2.gz HLAACXJXQAXTTH-WCQYABFASA-N 1 0 257.399 2.432 10 0 CEAERO CCOC[C@@H](O)COc1ccccc1[C@H](CC)[NH2+]C ZINC000069275128 520106455 /nfs/dbraw/zinc/10/64/55/520106455.db2.gz MCXAHXBSYRKKQD-OCCSQVGLSA-N 1 0 267.369 2.133 10 0 CEAERO CCOC[C@@H](O)COc1ccccc1C[NH2+]C(C)(C)C ZINC000069275974 520106583 /nfs/dbraw/zinc/10/65/83/520106583.db2.gz ZNILHASHYBYWRZ-CQSZACIVSA-N 1 0 281.396 2.351 10 0 CEAERO CCOC[C@@H](O)COc1ccc(Cl)cc1[C@H](C)[NH3+] ZINC000069275798 520107359 /nfs/dbraw/zinc/10/73/59/520107359.db2.gz JEESHYYKPZWGMI-GXSJLCMTSA-N 1 0 273.760 2.136 10 0 CEAERO CC[NH2+][C@@H](Cn1ncccc1=O)c1cc(C)ccc1C ZINC000061402103 520108196 /nfs/dbraw/zinc/10/81/96/520108196.db2.gz OOIZXWQVUBRILM-HNNXBMFYSA-N 1 0 271.364 2.211 10 0 CEAERO CC[NH2+][C@@H](c1nccn1C)c1ccc2c(c1)CCO2 ZINC000050892638 520113421 /nfs/dbraw/zinc/11/34/21/520113421.db2.gz MIWIWZRZSGCKSZ-CQSZACIVSA-N 1 0 257.337 2.054 10 0 CEAERO CCC[NH2+][C@](C)(C[C@H](C)Oc1cccc(C)c1)C(N)=O ZINC000068656291 520113655 /nfs/dbraw/zinc/11/36/55/520113655.db2.gz NGBNNWFVPFLFRG-XJKSGUPXSA-N 1 0 278.396 2.396 10 0 CEAERO CC[NH2+][C@@H]1CCc2c1cccc2O[C@H](C)C(=O)N(C)C ZINC000062799700 520124334 /nfs/dbraw/zinc/12/43/34/520124334.db2.gz VEEQHKTWCKDSLL-BXUZGUMPSA-N 1 0 276.380 2.139 10 0 CEAERO CC[NH2+][C@@](C)(CCCOCC1CCCCC1)C(N)=O ZINC000052157316 520132742 /nfs/dbraw/zinc/13/27/42/520132742.db2.gz WEEVJAKRAUIWPW-HNNXBMFYSA-N 1 0 270.417 2.217 10 0 CEAERO CCCNc1cc(C[N@H+](CCOC)[C@@H](C)COC)ccn1 ZINC000052729072 520137168 /nfs/dbraw/zinc/13/71/68/520137168.db2.gz OLGGEUDPKMREED-AWEZNQCLSA-N 1 0 295.427 2.387 10 0 CEAERO CCN[C@@](C)(C[C@H](C)[N@@H+]1CCC[C@@H]1C1CCCC1)C(N)=O ZINC000068632684 520143411 /nfs/dbraw/zinc/14/34/11/520143411.db2.gz BPFTUQYQVIQJTC-LXZKKBNFSA-N 1 0 295.471 2.273 10 0 CEAERO CCCNc1ccc(C(=O)N2CCC[C@@H]2C[NH+](C)C)cn1 ZINC000061655997 520143737 /nfs/dbraw/zinc/14/37/37/520143737.db2.gz WPKAOODNWOMADB-CQSZACIVSA-N 1 0 290.411 2.070 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000061272515 520165049 /nfs/dbraw/zinc/16/50/49/520165049.db2.gz CRYRAHKEMVYEFM-DOMZBBRYSA-N 1 0 294.370 2.114 10 0 CEAERO CCOC[C@H](O)COc1ccc2ccccc2c1C[NH2+]C ZINC000069275568 520165379 /nfs/dbraw/zinc/16/53/79/520165379.db2.gz MCLOVAQZZDXDQF-AWEZNQCLSA-N 1 0 289.375 2.335 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N[C@H](C)c1sc(C)nc1C ZINC000061273476 520168610 /nfs/dbraw/zinc/16/86/10/520168610.db2.gz CMGDUOOKJSIUBU-PSASIEDQSA-N 1 0 269.414 2.325 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N[C@H](C)c1cccc(NC(C)=O)c1 ZINC000061272849 520168928 /nfs/dbraw/zinc/16/89/28/520168928.db2.gz XJSLGSQYFRBCAH-VXGBXAGGSA-N 1 0 291.395 2.210 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000061270572 520169356 /nfs/dbraw/zinc/16/93/56/520169356.db2.gz ITGHYGRZBAZKBQ-CYBMUJFWSA-N 1 0 290.411 2.399 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1cccc(Cn2cccn2)c1 ZINC000061270101 520170592 /nfs/dbraw/zinc/17/05/92/520170592.db2.gz PNQYGWDPSUPAEE-CYBMUJFWSA-N 1 0 286.379 2.258 10 0 CEAERO CCCCC[N@H+](CC[C@@H](NCCC)C(N)=O)C(C)C ZINC000062463166 520174019 /nfs/dbraw/zinc/17/40/19/520174019.db2.gz OQBQLBSDEJMYKQ-CQSZACIVSA-N 1 0 271.449 2.131 10 0 CEAERO CCN(C)C(=O)COc1cccc(C[NH2+]CC(C)C)c1 ZINC000062731467 520179031 /nfs/dbraw/zinc/17/90/31/520179031.db2.gz QTFALEFEBIDXRP-UHFFFAOYSA-N 1 0 278.396 2.289 10 0 CEAERO CCN[C@H](CC[N@H+](CC)C1CCCC1)C(=O)OCC ZINC000062448423 520187446 /nfs/dbraw/zinc/18/74/46/520187446.db2.gz AHOGOIAYCDHDAD-CQSZACIVSA-N 1 0 270.417 2.182 10 0 CEAERO CC[NH2+][C@H](c1cc(C)sc1C)[C@H]1COCCO1 ZINC000055300150 520205607 /nfs/dbraw/zinc/20/56/07/520205607.db2.gz XTQYTYNRNJDKRV-CHWSQXEVSA-N 1 0 255.383 2.431 10 0 CEAERO CC[NH2+][C@H](Cn1nc(C)ccc1=O)c1ccc(CC)cc1 ZINC000061810198 520205761 /nfs/dbraw/zinc/20/57/61/520205761.db2.gz ZQCORWFKKUBYLZ-MRXNPFEDSA-N 1 0 285.391 2.465 10 0 CEAERO CC[NH2+][C@H](Cn1ccc(=O)cc1)c1cccc(OC)c1 ZINC000061627740 520206668 /nfs/dbraw/zinc/20/66/68/520206668.db2.gz BIWFQJIJSHULJK-MRXNPFEDSA-N 1 0 272.348 2.208 10 0 CEAERO CC[NH2+][C@H](c1ccc(OC)cc1Cl)[C@H]1COCCO1 ZINC000055300807 520207229 /nfs/dbraw/zinc/20/72/29/520207229.db2.gz UYYMWBKTPAVXAR-ZIAGYGMSSA-N 1 0 285.771 2.415 10 0 CEAERO CC[NH2+][C@H]1CCc2c1cccc2OCCC(=O)OC ZINC000069317674 520220079 /nfs/dbraw/zinc/22/00/79/520220079.db2.gz LHZLIROKNIXKST-ZDUSSCGKSA-N 1 0 263.337 2.225 10 0 CEAERO CC[NH2+][C@](C)(C[C@@H](C)Oc1cccc(CC)c1)C(N)=O ZINC000068654366 520237931 /nfs/dbraw/zinc/23/79/31/520237931.db2.gz RWELAHOQDPTQQV-MLGOLLRUSA-N 1 0 278.396 2.260 10 0 CEAERO CC1(C(=O)OCc2ccccc2F)CC[NH2+]CC1 ZINC000069280708 520240667 /nfs/dbraw/zinc/24/06/67/520240667.db2.gz IXJXMWLUGSJMTA-UHFFFAOYSA-N 1 0 251.301 2.259 10 0 CEAERO CC[NH2+][C@](COc1ccc(C(C)C)cc1)(C(N)=O)C1CC1 ZINC000069197024 520251543 /nfs/dbraw/zinc/25/15/43/520251543.db2.gz ACQFOQYFXXSKEE-KRWDZBQOSA-N 1 0 290.407 2.432 10 0 CEAERO CCO[C@@H](C[NH3+])CSc1nc2ccccc2[nH]1 ZINC000062740590 520311827 /nfs/dbraw/zinc/31/18/27/520311827.db2.gz DXBSHYGIVMWKIQ-VIFPVBQESA-N 1 0 251.355 2.019 10 0 CEAERO CCCOc1ccc(-n2nnnc2C[NH2+]C(C)(C)C)cc1 ZINC000054745139 520319079 /nfs/dbraw/zinc/31/90/79/520319079.db2.gz DWNQFASPWKZXSG-UHFFFAOYSA-N 1 0 289.383 2.339 10 0 CEAERO CCNc1ccccc1C(=O)N1CC[NH+](C(C)C)CC1 ZINC000050755797 520337931 /nfs/dbraw/zinc/33/79/31/520337931.db2.gz ZYDACDHQQKZWAT-UHFFFAOYSA-N 1 0 275.396 2.285 10 0 CEAERO CCNc1ccccc1C(=O)NCCCC[NH+](C)C ZINC000050778737 520338042 /nfs/dbraw/zinc/33/80/42/520338042.db2.gz YVABKPAYNUFSSD-UHFFFAOYSA-N 1 0 263.385 2.190 10 0 CEAERO CCCOc1ccc(C[NH3+])c(OC[C@@H](O)C(F)(F)F)c1 ZINC000068876661 520345222 /nfs/dbraw/zinc/34/52/22/520345222.db2.gz OXNJORUGSALOCA-GFCCVEGCSA-N 1 0 293.285 2.236 10 0 CEAERO CCNc1ccnc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1 ZINC000050777049 520348251 /nfs/dbraw/zinc/34/82/51/520348251.db2.gz NDMNGZAGHFLAMN-CQSZACIVSA-N 1 0 292.427 2.220 10 0 CEAERO CCN(CC(=O)c1cccc(C)c1)C1CC[NH2+]CC1 ZINC000050157769 520387954 /nfs/dbraw/zinc/38/79/54/520387954.db2.gz LCUSXECXDGRUPU-UHFFFAOYSA-N 1 0 260.381 2.252 10 0 CEAERO CCCOc1ccc(OCC[C@H]([NH2+]C(C)C)C(N)=O)cc1 ZINC000062594394 520407668 /nfs/dbraw/zinc/40/76/68/520407668.db2.gz PAHKUMXAYJOZPT-HNNXBMFYSA-N 1 0 294.395 2.096 10 0 CEAERO CCCOc1ccc([C@@H](C[NH3+])N2CCOC[C@@H]2C)cc1 ZINC000052919999 520416662 /nfs/dbraw/zinc/41/66/62/520416662.db2.gz GFTJSXAEQLIVTH-XJKSGUPXSA-N 1 0 278.396 2.196 10 0 CEAERO CC1(C)CN(C(=O)C(F)(F)c2ccccc2)CC[C@H]1[NH3+] ZINC000262084531 520419170 /nfs/dbraw/zinc/41/91/70/520419170.db2.gz UAOMTBSQWBPNHG-GFCCVEGCSA-N 1 0 282.334 2.364 10 0 CEAERO CCCOc1cccc(-c2nc(CCC[NH3+])no2)c1 ZINC000061668394 520438450 /nfs/dbraw/zinc/43/84/50/520438450.db2.gz YSWGAPOMPSOPTC-UHFFFAOYSA-N 1 0 261.325 2.417 10 0 CEAERO CC1(C)CN(c2cc(Cl)ccc2C(N)=[NH2+])CCO1 ZINC000062788829 520493749 /nfs/dbraw/zinc/49/37/49/520493749.db2.gz LQFGYHSFDCYKDA-UHFFFAOYSA-N 1 0 267.760 2.239 10 0 CEAERO CCCCNC(=O)[C@H](C)Oc1ccc2c(c1)OC[C@@H]2[NH2+]C ZINC000062804412 520670409 /nfs/dbraw/zinc/67/04/09/520670409.db2.gz MRRMPUATVUBMME-FZMZJTMJSA-N 1 0 292.379 2.023 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)N(C)c1ccc(OC)cc1 ZINC000049971637 520705782 /nfs/dbraw/zinc/70/57/82/520705782.db2.gz BDOAOAPFHAIVCR-NSHDSACASA-N 1 0 250.342 2.033 10 0 CEAERO CCOc1cc(C[C@@H]([NH3+])CC)ccc1OCCC(=O)OC ZINC000069318783 520734386 /nfs/dbraw/zinc/73/43/86/520734386.db2.gz LGOFMQPSJDGPRH-ZDUSSCGKSA-N 1 0 295.379 2.307 10 0 CEAERO CCN(CC)C[C@H](C)[NH2+]C[C@@H](O)c1ccc(OC)cc1 ZINC000045704583 520735067 /nfs/dbraw/zinc/73/50/67/520735067.db2.gz VUKLJGDZLULJEF-XJKSGUPXSA-N 1 0 280.412 2.049 10 0 CEAERO CCCCOCC[NH2+]CCn1ncc2ccccc21 ZINC000053536935 520782467 /nfs/dbraw/zinc/78/24/67/520782467.db2.gz YRULZDZWUTXPNR-UHFFFAOYSA-N 1 0 261.369 2.443 10 0 CEAERO CCCCOCCOC[C@@H]1CC[C@H](C[NH2+]CCC)O1 ZINC000052629030 520789404 /nfs/dbraw/zinc/78/94/04/520789404.db2.gz QOZOJMHAYQBAMN-CABCVRRESA-N 1 0 273.417 2.367 10 0 CEAERO CCOC(=O)C[C@@H](C)[NH2+]Cc1ccc(F)cc1F ZINC000051017222 520836345 /nfs/dbraw/zinc/83/63/45/520836345.db2.gz KUIOAMRENGEGCC-SECBINFHSA-N 1 0 257.280 2.396 10 0 CEAERO CCC[C@@H]1CN(CCOCC)[C@@](C)(C2CC2)C[NH2+]1 ZINC000068702457 520837116 /nfs/dbraw/zinc/83/71/16/520837116.db2.gz IHVWNTUKMPRZEW-HUUCEWRRSA-N 1 0 254.418 2.266 10 0 CEAERO CCC[C@@H]1CN(CCOCCOC)C(CC)(CC)C[NH2+]1 ZINC000068702130 520837896 /nfs/dbraw/zinc/83/78/96/520837896.db2.gz LRYHPVDIIGBBFW-OAHLLOKOSA-N 1 0 286.460 2.282 10 0 CEAERO CC1CCC(CO)([NH2+]C[C@H](O)c2cccc(F)c2)CC1 ZINC000053118418 520925078 /nfs/dbraw/zinc/92/50/78/520925078.db2.gz YPTXFRYPQZNQIT-NRAUKZCXSA-N 1 0 281.371 2.390 10 0 CEAERO CCC[C@@]1(C(=O)N(C)Cc2csc(C)n2)CC[NH2+]C1 ZINC000062902475 520941476 /nfs/dbraw/zinc/94/14/76/520941476.db2.gz PSVCLSUZZRPPRH-CQSZACIVSA-N 1 0 281.425 2.190 10 0 CEAERO CC1CCC(c2noc(CN3CCC[NH2+]CC3)n2)CC1 ZINC000061145738 520962747 /nfs/dbraw/zinc/96/27/47/520962747.db2.gz RITQWGIEZYUVTE-UHFFFAOYSA-N 1 0 278.400 2.159 10 0 CEAERO CC[N@H+](CC1CC1)[C@@H](CN)c1ccc2c(c1)CCO2 ZINC000069237436 520968740 /nfs/dbraw/zinc/96/87/40/520968740.db2.gz XWEPSEQZGMRKAI-HNNXBMFYSA-N 1 0 260.381 2.353 10 0 CEAERO CC1CCN(C(=O)[C@@H]2CCC[C@H](CC[NH3+])C2)CC1 ZINC000055145486 520985617 /nfs/dbraw/zinc/98/56/17/520985617.db2.gz UURDYJWPNZZCMT-ZIAGYGMSSA-N 1 0 252.402 2.400 10 0 CEAERO CCOC(=O)[C@@H](C)NC(=O)Nc1cccc([C@H](C)[NH2+]C)c1 ZINC000049495650 521018238 /nfs/dbraw/zinc/01/82/38/521018238.db2.gz DQOAOHIJGLHBTB-WDEREUQCSA-N 1 0 293.367 2.040 10 0 CEAERO CCCC[C@@H](CC)C[NH2+]C[C@@H]1CN(C)CCN1C ZINC000068804723 521035430 /nfs/dbraw/zinc/03/54/30/521035430.db2.gz YSFLOOPAIOSRPS-HUUCEWRRSA-N 1 0 255.450 2.038 10 0 CEAERO CCCC[C@@H](C[NH2+]C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000052951171 521049454 /nfs/dbraw/zinc/04/94/54/521049454.db2.gz KQESXQXCVJQMOQ-STQMWFEESA-N 1 0 261.431 2.226 10 0 CEAERO CCOC(=O)[C@@H](c1ccccc1CC)N1CCC[NH2+]CC1 ZINC000052204436 521087516 /nfs/dbraw/zinc/08/75/16/521087516.db2.gz SNJAPGKGVILGSY-MRXNPFEDSA-N 1 0 290.407 2.149 10 0 CEAERO CCN(CCOC)[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH2+]C ZINC000054555473 521138442 /nfs/dbraw/zinc/13/84/42/521138442.db2.gz FSWVLPLCHAGHAQ-QLFBSQMISA-N 1 0 256.434 2.367 10 0 CEAERO CCCC[C@H](C)NS(=O)(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050889784 521148181 /nfs/dbraw/zinc/14/81/81/521148181.db2.gz NGDMJGUNWUQFGM-QWHCGFSZSA-N 1 0 276.446 2.017 10 0 CEAERO CCOC(=O)[C@@](C)(C[C@H](C)[N@H+](CC(C)C)C1CC1)NC ZINC000068633053 521150361 /nfs/dbraw/zinc/15/03/61/521150361.db2.gz FJFUANMQAWRXKJ-XJKSGUPXSA-N 1 0 284.444 2.427 10 0 CEAERO CC[N@H+](CC[C@@H](NC1CC1)C(=O)OC)C1CCCCC1 ZINC000062439169 521157123 /nfs/dbraw/zinc/15/71/23/521157123.db2.gz OXWMHVOTEVZBTJ-OAHLLOKOSA-N 1 0 282.428 2.325 10 0 CEAERO CCOC(=O)[C@@](C[N@@H+]1CCCC[C@@H]1C)(NC1CC1)C1CC1 ZINC000069093799 521166275 /nfs/dbraw/zinc/16/62/75/521166275.db2.gz VGOXAPKMMDVSDT-GUYCJALGSA-N 1 0 294.439 2.325 10 0 CEAERO CCOc1ccc([C@@H](C)[NH3+])cc1Cn1nc(C)ccc1=O ZINC000061810308 521214989 /nfs/dbraw/zinc/21/49/89/521214989.db2.gz WGCOMHBOYAYRFL-GFCCVEGCSA-N 1 0 287.363 2.018 10 0 CEAERO CCC[C@H]1CN(Cc2cnn(CC)c2)[C@H](C2CC2)C[NH2+]1 ZINC000068701097 521220948 /nfs/dbraw/zinc/22/09/48/521220948.db2.gz IQVVYFXWUDMONS-HOTGVXAUSA-N 1 0 276.428 2.256 10 0 CEAERO CCOC(=O)[C@H](CC[N@H+](CC1CC1)C(C)C)NC(C)C ZINC000062525672 521242547 /nfs/dbraw/zinc/24/25/47/521242547.db2.gz KEESUMBWIUTGMZ-HNNXBMFYSA-N 1 0 284.444 2.427 10 0 CEAERO CCC[C@H]1C[C@H]([NH2+]CCc2nnc3ccccn32)CCO1 ZINC000070346145 521247359 /nfs/dbraw/zinc/24/73/59/521247359.db2.gz IGAPTFIBYWUGAE-KGLIPLIRSA-N 1 0 288.395 2.209 10 0 CEAERO CCOc1ccc([C@@H]2[C@H]([NH3+])CCC(=O)N2C2CC2)cc1 ZINC000062211756 521247787 /nfs/dbraw/zinc/24/77/87/521247787.db2.gz GWJWUDGSPHGNJL-GDBMZVCRSA-N 1 0 274.364 2.239 10 0 CEAERO CC[N@H+](C[C@H](N)c1ccc2c(c1)OCCO2)CC1CC1 ZINC000069237688 521260436 /nfs/dbraw/zinc/26/04/36/521260436.db2.gz GFORPDOVSCLXNJ-AWEZNQCLSA-N 1 0 276.380 2.190 10 0 CEAERO CCOC(=O)[C@](C)(CCC[N@H+](CC)CC1CC1)NC ZINC000069239481 521320471 /nfs/dbraw/zinc/32/04/71/521320471.db2.gz COQKMENARGWGON-HNNXBMFYSA-N 1 0 270.417 2.040 10 0 CEAERO CCOc1cccc(C[NH2+]C)c1OC[C@@H](O)C(F)(F)F ZINC000068876305 521359172 /nfs/dbraw/zinc/35/91/72/521359172.db2.gz MUWWHMCIFKPWAN-LLVKDONJSA-N 1 0 293.285 2.107 10 0 CEAERO CCOc1cccc(C[C@H]([NH3+])CC)c1OCCC(=O)OC ZINC000069318884 521380996 /nfs/dbraw/zinc/38/09/96/521380996.db2.gz JDWZCBAYDXUESP-CYBMUJFWSA-N 1 0 295.379 2.307 10 0 CEAERO CCC(CC)(CO)[NH2+]C[C@H](O)COc1c(C)cccc1C ZINC000053070647 521458990 /nfs/dbraw/zinc/45/89/90/521458990.db2.gz KYFVMGCNDOVWPF-HNNXBMFYSA-N 1 0 295.423 2.184 10 0 CEAERO CCC(CC)N(CCOC)C(=O)[C@@H]1[C@@H](C)CCC[C@@H]1[NH3+] ZINC000055133764 521557578 /nfs/dbraw/zinc/55/75/78/521557578.db2.gz SBHCZHJFLMVCFJ-AEGPPILISA-N 1 0 284.444 2.414 10 0 CEAERO CC[NH+]1CCC(N(C)c2ccc(CO)c(C)c2)CC1 ZINC000050583331 521567226 /nfs/dbraw/zinc/56/72/26/521567226.db2.gz ZTUKZBIDXQTLGA-UHFFFAOYSA-N 1 0 262.397 2.408 10 0 CEAERO CCCN(CC1CC1)C(=O)C1(CC)CC[NH2+]CC1 ZINC000062848363 521618357 /nfs/dbraw/zinc/61/83/57/521618357.db2.gz HUOOBMIPJFXFGK-UHFFFAOYSA-N 1 0 252.402 2.415 10 0 CEAERO CCC(CC)[C@H](CNC(=O)c1sc(N)nc1C)[NH+](C)C ZINC000055175271 521618654 /nfs/dbraw/zinc/61/86/54/521618654.db2.gz XCDOCDFNOMRGIL-NSHDSACASA-N 1 0 298.456 2.130 10 0 CEAERO CCC[N@H+](CC1CC1)C[C@@](NC)(C(=O)OCC)C1CC1 ZINC000069131916 521625312 /nfs/dbraw/zinc/62/53/12/521625312.db2.gz SZOQRFOHEFFFIW-INIZCTEOSA-N 1 0 282.428 2.040 10 0 CEAERO CCC[N@H+](CC1CC1)C[C@](NCC)(C(=O)OC)C1CC1 ZINC000069131933 521626317 /nfs/dbraw/zinc/62/63/17/521626317.db2.gz BLFJUVHIIRPSAR-MRXNPFEDSA-N 1 0 282.428 2.040 10 0 CEAERO CCCn1c(S[C@H](c2ccc(C)o2)[C@H](C)[NH3+])n[nH]c1=O ZINC000061594896 521635627 /nfs/dbraw/zinc/63/56/27/521635627.db2.gz GTAXAAOVFSMNQI-ONGXEEELSA-N 1 0 296.396 2.063 10 0 CEAERO CCCn1c(Sc2ccc([C@@H](C)[NH3+])cc2)n[nH]c1=O ZINC000061595906 521636407 /nfs/dbraw/zinc/63/64/07/521636407.db2.gz AGXYWNRODAUDPK-SECBINFHSA-N 1 0 278.381 2.152 10 0 CEAERO CCCN(CCCOc1ccccc1)CC[NH2+]C ZINC000061815906 521652894 /nfs/dbraw/zinc/65/28/94/521652894.db2.gz ICOGITKEDSJNNV-UHFFFAOYSA-N 1 0 250.386 2.387 10 0 CEAERO CCOC1CC[NH+](C[C@H]2C[C@H](C)CCC2=O)CC1 ZINC000053928032 521655773 /nfs/dbraw/zinc/65/57/73/521655773.db2.gz AKMFEIBKYAXHGP-CHWSQXEVSA-N 1 0 253.386 2.493 10 0 CEAERO CCCN(CC[NH+](C)C)C(=O)c1nc(NC)ccc1Cl ZINC000050786165 521656464 /nfs/dbraw/zinc/65/64/64/521656464.db2.gz FPYHTEWPOMNTMG-UHFFFAOYSA-N 1 0 298.818 2.191 10 0 CEAERO CCCn1cccc1C(=O)N1CCC(CC[NH3+])CC1 ZINC000070187871 521658426 /nfs/dbraw/zinc/65/84/26/521658426.db2.gz ZSNUANYGSIOHTA-UHFFFAOYSA-N 1 0 263.385 2.099 10 0 CEAERO CCC[N@@H+](Cc1cccnc1C(N)=S)CC1CC1 ZINC000061659853 521691161 /nfs/dbraw/zinc/69/11/61/521691161.db2.gz RHCQXHHIBAYVTL-UHFFFAOYSA-N 1 0 263.410 2.338 10 0 CEAERO CCS(=O)(=O)c1ccccc1N1CCCC[C@@H]1C[NH2+]C ZINC000053706690 521693321 /nfs/dbraw/zinc/69/33/21/521693321.db2.gz LTPBCTCSAKMNQD-CYBMUJFWSA-N 1 0 296.436 2.059 10 0 CEAERO CCCN(Cc1nccn1CC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000054743831 521694723 /nfs/dbraw/zinc/69/47/23/521694723.db2.gz WCPHJZNOYLMEMX-YIONKMFJSA-N 1 0 276.428 2.398 10 0 CEAERO CC[NH+]1CCN(c2cc(Cl)ccc2C(N)=S)CC1 ZINC000062787986 521696373 /nfs/dbraw/zinc/69/63/73/521696373.db2.gz LARVOLHWKNBIKK-UHFFFAOYSA-N 1 0 283.828 2.116 10 0 CEAERO CCCN1C(=O)C[C@@H]([NH2+][C@H](CC)c2cccs2)C1=O ZINC000049529730 521699878 /nfs/dbraw/zinc/69/98/78/521699878.db2.gz NQHINBPESFWIFC-GHMZBOCLSA-N 1 0 280.393 2.326 10 0 CEAERO CCN1CCN(c2ncc(C[NH2+]CC(C)C)s2)CC1 ZINC000054899357 521701574 /nfs/dbraw/zinc/70/15/74/521701574.db2.gz AUABTKOIMCARHZ-UHFFFAOYSA-N 1 0 282.457 2.031 10 0 CEAERO COCC[C@@H]([NH3+])c1nc(-c2cccc(OC)c2)c[nH]1 ZINC000052811134 521833244 /nfs/dbraw/zinc/83/32/44/521833244.db2.gz AUJUUGWOIVNNQN-GFCCVEGCSA-N 1 0 261.325 2.122 10 0 CEAERO CCc1ccccc1C[NH2+]CCCN1CCOCC1 ZINC000052200482 521838830 /nfs/dbraw/zinc/83/88/30/521838830.db2.gz DYMDFQISGCYUOX-UHFFFAOYSA-N 1 0 262.397 2.061 10 0 CEAERO COC(=O)c1cc(F)ccc1NC(=O)CCC(C)(C)[NH3+] ZINC000070087269 521870028 /nfs/dbraw/zinc/87/00/28/521870028.db2.gz ZBCFHUKSWQGKHL-UHFFFAOYSA-N 1 0 282.315 2.068 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N(C)Cc1cccc(Cl)c1 ZINC000061316862 521930910 /nfs/dbraw/zinc/93/09/10/521930910.db2.gz QDUIQDWMZRCUPJ-UHFFFAOYSA-N 1 0 254.761 2.296 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N[C@H](C)c1c(F)cccc1F ZINC000061316666 521939333 /nfs/dbraw/zinc/93/93/33/521939333.db2.gz DKMJQPCCGWFLEZ-MRVPVSSYSA-N 1 0 256.296 2.140 10 0 CEAERO C[NH2+]C(C)(C)C(=O)Nc1cc(C)nc2ccccc21 ZINC000061300100 521940802 /nfs/dbraw/zinc/94/08/02/521940802.db2.gz OMWCLXUTJLTDBF-UHFFFAOYSA-N 1 0 257.337 2.480 10 0 CEAERO COCC[C@H]([NH3+])c1nc2cc(Cl)ccc2n1C ZINC000052785236 521951520 /nfs/dbraw/zinc/95/15/20/521951520.db2.gz UMXSFZAGYISTSG-VIFPVBQESA-N 1 0 253.733 2.263 10 0 CEAERO CC[C@@H](C)C[N@H+](C)Cc1ccnc(C(N)=S)c1 ZINC000068751940 521970690 /nfs/dbraw/zinc/97/06/90/521970690.db2.gz FPPYDTPZNHPRSG-SNVBAGLBSA-N 1 0 251.399 2.194 10 0 CEAERO C[NH2+]CCCc1c(C)nc(Cc2ccccn2)nc1C ZINC000054837371 522001229 /nfs/dbraw/zinc/00/12/29/522001229.db2.gz FQFYDVIJNDETQH-UHFFFAOYSA-N 1 0 270.380 2.231 10 0 CEAERO C[NH2+]CCc1noc(-c2ccc3ccccc3n2)n1 ZINC000051850744 522023601 /nfs/dbraw/zinc/02/36/01/522023601.db2.gz GUEINCIQVKSYIK-UHFFFAOYSA-N 1 0 254.293 2.047 10 0 CEAERO C[NH2+]C[C@@H](O[C@@H](C)COC)c1ccc(OC)cc1 ZINC000070206730 522039025 /nfs/dbraw/zinc/03/90/25/522039025.db2.gz VJVVISSTTGBUGJ-SMDDNHRTSA-N 1 0 253.342 2.007 10 0 CEAERO C[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000053010071 522057916 /nfs/dbraw/zinc/05/79/16/522057916.db2.gz HOWLLHHFWRHVDB-JTQLQIEISA-N 1 0 269.186 2.495 10 0 CEAERO C[NH2+]C[C@@H]1CC[C@@H](COc2ccc3c(c2)CCC3)O1 ZINC000052693533 522060138 /nfs/dbraw/zinc/06/01/38/522060138.db2.gz FYVKTMGFCSEJKP-HOTGVXAUSA-N 1 0 261.365 2.321 10 0 CEAERO C[NH2+]C[C@H](OCCCOC)c1ccc(OC)cc1 ZINC000050486246 522076075 /nfs/dbraw/zinc/07/60/75/522076075.db2.gz LASOSQPFKJZAPT-AWEZNQCLSA-N 1 0 253.342 2.009 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1C(=O)COc1cccc(Cl)c1 ZINC000063167236 522078223 /nfs/dbraw/zinc/07/82/23/522078223.db2.gz BITCSIMLYPYCJM-CYBMUJFWSA-N 1 0 296.798 2.319 10 0 CEAERO CC[C@@H](C)N(CCOC)C(=O)C1(CC)CC[NH2+]CC1 ZINC000062850010 522087826 /nfs/dbraw/zinc/08/78/26/522087826.db2.gz PDEYYEASVQUWRI-CYBMUJFWSA-N 1 0 270.417 2.040 10 0 CEAERO C[NH2+]C[C@H]1OCCN(C2CC2)[C@@H]1c1cccc(C)c1 ZINC000070289488 522099008 /nfs/dbraw/zinc/09/90/08/522099008.db2.gz QMAWEFHLQBYESE-HZPDHXFCSA-N 1 0 260.381 2.119 10 0 CEAERO C[NH2+]Cc1c(C)nn([C@H]2CCCCC[C@H]2O)c1C ZINC000054600446 522099881 /nfs/dbraw/zinc/09/98/81/522099881.db2.gz LXPBCCHCCCTAJL-UONOGXRCSA-N 1 0 251.374 2.085 10 0 CEAERO C[NH2+]Cc1c(C)nn([C@@H]2CCCCC[C@H]2O)c1C ZINC000054600445 522101581 /nfs/dbraw/zinc/10/15/81/522101581.db2.gz LXPBCCHCCCTAJL-ZIAGYGMSSA-N 1 0 251.374 2.085 10 0 CEAERO CC[C@@H](C)N1CCN(C(=[NH2+])NC2CCCCC2)CC1 ZINC000055083318 522108775 /nfs/dbraw/zinc/10/87/75/522108775.db2.gz LPMLMBAEUIZTLK-CYBMUJFWSA-N 1 0 266.433 2.260 10 0 CEAERO C[NH2+]Cc1cc2ccccc2c(-n2ccc(C)n2)n1 ZINC000052885138 522114009 /nfs/dbraw/zinc/11/40/09/522114009.db2.gz GUYXBHYDVGQVON-UHFFFAOYSA-N 1 0 252.321 2.448 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc3c(c2)CCN3)CC1 ZINC000055078081 522115369 /nfs/dbraw/zinc/11/53/69/522115369.db2.gz HFIYDSFMUNOJNR-CYBMUJFWSA-N 1 0 287.407 2.211 10 0 CEAERO C[NH2+]Cc1ccc(OCCOCC(F)(F)F)cc1 ZINC000049310602 522122013 /nfs/dbraw/zinc/12/20/13/522122013.db2.gz KMMDSBDXKLZKHW-UHFFFAOYSA-N 1 0 263.259 2.364 10 0 CEAERO C[NH2+]Cc1ccc(OCCn2cc(Cl)cn2)cc1 ZINC000052577197 522122711 /nfs/dbraw/zinc/12/27/11/522122711.db2.gz PDFZEZRTBGJTTQ-UHFFFAOYSA-N 1 0 265.744 2.335 10 0 CEAERO C[NH2+]Cc1ccc(OCc2ncccn2)c(Cl)c1 ZINC000054458530 522122872 /nfs/dbraw/zinc/12/28/72/522122872.db2.gz LHJWTGOFLOAAHS-UHFFFAOYSA-N 1 0 263.728 2.428 10 0 CEAERO C[NH2+]Cc1ccc(OCCn2cnc(C)c2C)cc1 ZINC000052593555 522123337 /nfs/dbraw/zinc/12/33/37/522123337.db2.gz VGWRBXPESMCMPT-UHFFFAOYSA-N 1 0 259.353 2.298 10 0 CEAERO C[NH2+]Cc1cccc(NC(=O)Cc2cccc(O)c2)c1 ZINC000048815382 522131758 /nfs/dbraw/zinc/13/17/58/522131758.db2.gz UPLAIUBJFFTVCP-UHFFFAOYSA-N 1 0 270.332 2.293 10 0 CEAERO COC(=O)c1ccc(N[C@@H](C)C[NH+]2CCCCC2)c(N)c1 ZINC000049503218 522134261 /nfs/dbraw/zinc/13/42/61/522134261.db2.gz KFATZRPVRMNLHR-LBPRGKRZSA-N 1 0 291.395 2.342 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(c2nc3ccccn3c2C=O)CC1 ZINC000055067525 522137245 /nfs/dbraw/zinc/13/72/45/522137245.db2.gz KAXHEVWIUWXNDC-CYBMUJFWSA-N 1 0 286.379 2.067 10 0 CEAERO C[NH2+]Cc1cccnc1N1CCN(C)c2ccccc21 ZINC000069052004 522139232 /nfs/dbraw/zinc/13/92/32/522139232.db2.gz FFRNHWOVEPAHDP-UHFFFAOYSA-N 1 0 268.364 2.389 10 0 CEAERO C[NH2+]Cc1cnc(N2CCCSCC2)c(Cl)c1 ZINC000051520820 522145752 /nfs/dbraw/zinc/14/57/52/522145752.db2.gz SITAYOZCHWFNME-UHFFFAOYSA-N 1 0 271.817 2.398 10 0 CEAERO C[NH2+]Cc1nnc(-c2ccc(OC)c(Br)c2)o1 ZINC000050615449 522154782 /nfs/dbraw/zinc/15/47/82/522154782.db2.gz NZWIXMNQEXFIJP-UHFFFAOYSA-N 1 0 298.140 2.227 10 0 CEAERO C[NH2+]Cc1nccn1Cc1ccc2ccccc2n1 ZINC000051004390 522154815 /nfs/dbraw/zinc/15/48/15/522154815.db2.gz MHWOKJZHHVKBBX-UHFFFAOYSA-N 1 0 252.321 2.199 10 0 CEAERO C[NH2+]Cc1sc2cccc(F)c2c1Cn1cncn1 ZINC000052575350 522169591 /nfs/dbraw/zinc/16/95/91/522169591.db2.gz OQHHVEDJLWHIPC-UHFFFAOYSA-N 1 0 276.340 2.400 10 0 CEAERO C[NH2+]Cc1sc(N2C[C@H](C)OC(C)(C)C2)nc1C ZINC000055000448 522169608 /nfs/dbraw/zinc/16/96/08/522169608.db2.gz NKRIRJILIBOZNB-VIFPVBQESA-N 1 0 269.414 2.175 10 0 CEAERO CC[C@H](C[NH2+]C)N1CCN(c2ccccc2Cl)CC1 ZINC000052443371 522192677 /nfs/dbraw/zinc/19/26/77/522192677.db2.gz RRTPAWWQZOHPGF-CYBMUJFWSA-N 1 0 281.831 2.460 10 0 CEAERO COC[C@@H](C)N(C)c1ccc(Cl)cc1C(N)=[NH2+] ZINC000052860137 522223007 /nfs/dbraw/zinc/22/30/07/522223007.db2.gz HRPNIUMUDLPJCS-MRVPVSSYSA-N 1 0 255.749 2.095 10 0 CEAERO COC[C@@H](C)N(C)c1nc(C(C)(C)C)c(C[NH3+])s1 ZINC000054998792 522223126 /nfs/dbraw/zinc/22/31/26/522223126.db2.gz YOMGDWAXPIIRED-SECBINFHSA-N 1 0 271.430 2.370 10 0 CEAERO COC(=O)c1cccc(OCC[NH2+][C@H](C)[C@H]2CCCO2)c1 ZINC000183122782 522244842 /nfs/dbraw/zinc/24/48/42/522244842.db2.gz NDEMZKALIHNRQH-IUODEOHRSA-N 1 0 293.363 2.009 10 0 CEAERO CN(C)c1cccc(-c2nc([C@H]3CCC[NH2+]C3)no2)c1 ZINC000062256988 522254320 /nfs/dbraw/zinc/25/43/20/522254320.db2.gz ZMMIYJOXVJXRJK-LBPRGKRZSA-N 1 0 272.352 2.270 10 0 CEAERO CN(C)c1ccccc1NC(=O)C1(C)CC[NH2+]CC1 ZINC000062840252 522294172 /nfs/dbraw/zinc/29/41/72/522294172.db2.gz UWZYTVJYXUGOFV-UHFFFAOYSA-N 1 0 261.369 2.081 10 0 CEAERO CN(C)c1ccccc1NC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000062855565 522300713 /nfs/dbraw/zinc/30/07/13/522300713.db2.gz IGKSEDBOOSYIAG-OAHLLOKOSA-N 1 0 261.369 2.081 10 0 CEAERO C[NH2+][C@@H](C)c1cc(C)ccc1OCCC(=O)OC ZINC000069317218 522328777 /nfs/dbraw/zinc/32/87/77/522328777.db2.gz SIHRWZUKGCAXJF-NSHDSACASA-N 1 0 251.326 2.217 10 0 CEAERO C[NH2+][C@@H](C)c1c(C)nn(CCOCC(F)(F)F)c1C ZINC000054717963 522329183 /nfs/dbraw/zinc/32/91/83/522329183.db2.gz UDKLFODEMIVPSK-QMMMGPOBSA-N 1 0 279.306 2.359 10 0 CEAERO CC[C@H]([NH3+])Cc1cc(C)nc(Cc2ccncc2)n1 ZINC000054835587 522333382 /nfs/dbraw/zinc/33/33/82/522333382.db2.gz WTNXSVVDHNEVBC-ZDUSSCGKSA-N 1 0 256.353 2.051 10 0 CEAERO CC[C@H]([NH3+])Cc1cnc(Cc2cccc(F)c2)nc1 ZINC000054858295 522334372 /nfs/dbraw/zinc/33/43/72/522334372.db2.gz MSOXZRDLZQCTIP-AWEZNQCLSA-N 1 0 259.328 2.486 10 0 CEAERO CC[C@H]([NH3+])Cc1cnc(-c2cccc(OC)c2)nc1 ZINC000054858247 522334467 /nfs/dbraw/zinc/33/44/67/522334467.db2.gz FATRGTDUNMHWOA-ZDUSSCGKSA-N 1 0 257.337 2.432 10 0 CEAERO CC[C@H]([NH3+])[C@@](O)(c1cccc(F)c1)C(F)(F)F ZINC000062784511 522342681 /nfs/dbraw/zinc/34/26/81/522342681.db2.gz XVDNDHJYBYVQNT-UWVGGRQHSA-N 1 0 251.223 2.313 10 0 CEAERO CC[C@H]([NH3+])c1c(C)nn(C[C@H]2CCCCO2)c1C ZINC000054716667 522345602 /nfs/dbraw/zinc/34/56/02/522345602.db2.gz YTUCBFDVIQREFX-OLZOCXBDSA-N 1 0 251.374 2.479 10 0 CEAERO C[NH2+][C@@H](c1ccc(Br)cc1)[C@H]1COCCO1 ZINC000055299280 522368173 /nfs/dbraw/zinc/36/81/73/522368173.db2.gz GTYOVWRTJJAFCD-NEPJUHHUSA-N 1 0 286.169 2.125 10 0 CEAERO C[NH2+][C@@H](c1ccc(OC)cc1)[C@H](C)N(C)CCCOC ZINC000062031031 522369528 /nfs/dbraw/zinc/36/95/28/522369528.db2.gz JSGDFLWNVUNWKL-XJKSGUPXSA-N 1 0 280.412 2.313 10 0 CEAERO C[NH2+][C@@H]1CCCc2nc(N3CCOC(C)(C)C3)sc21 ZINC000054904525 522389650 /nfs/dbraw/zinc/38/96/50/522389650.db2.gz XHPUGKYPEAAYPM-SNVBAGLBSA-N 1 0 281.425 2.355 10 0 CEAERO CCc1nc(NC(=O)C[NH2+][C@H](C)CC)sc1C ZINC000049184689 522391973 /nfs/dbraw/zinc/39/19/73/522391973.db2.gz GBYCNKZSJPVJLC-MRVPVSSYSA-N 1 0 255.387 2.341 10 0 CEAERO COc1cc(C[NH2+]C(C)(C)C)ccc1O[C@@H]1CCOC1=O ZINC000062731801 522439083 /nfs/dbraw/zinc/43/90/83/522439083.db2.gz SYIKGDWIHHYVCX-CYBMUJFWSA-N 1 0 293.363 2.278 10 0 CEAERO C[NH2+][C@H](C)c1c(C)nn(CC2CCOCC2)c1C ZINC000054717932 522445791 /nfs/dbraw/zinc/44/57/91/522445791.db2.gz YFQHMZWJQRZWDX-SNVBAGLBSA-N 1 0 251.374 2.207 10 0 CEAERO C[NH2+][C@H](C)c1ccc(F)cc1OCCC(=O)OC ZINC000069317634 522447639 /nfs/dbraw/zinc/44/76/39/522447639.db2.gz ZFWSQGUXXKFBNK-SECBINFHSA-N 1 0 255.289 2.048 10 0 CEAERO C[NH2+][C@H](C)c1cnc(N(C)CCc2ccncc2)s1 ZINC000054905131 522453456 /nfs/dbraw/zinc/45/34/56/522453456.db2.gz NQEMNLPXXPOHNY-LLVKDONJSA-N 1 0 276.409 2.497 10 0 CEAERO C[NH2+][C@H](C)c1cnn([C@H]2CCCCC[C@@H]2O)c1C ZINC000054600540 522453688 /nfs/dbraw/zinc/45/36/88/522453688.db2.gz NHFFRVMLEPTGKN-SWHYSGLUSA-N 1 0 251.374 2.338 10 0 CEAERO C[NH2+][C@H](C)c1cnn(Cc2ncc(C)c(OC)c2C)c1 ZINC000054720823 522454374 /nfs/dbraw/zinc/45/43/74/522454374.db2.gz ZFRQKCPMBXXPET-GFCCVEGCSA-N 1 0 274.368 2.232 10 0 CEAERO C[NH2+][C@H](COC)Cc1cc(F)ccc1Br ZINC000060697316 522468432 /nfs/dbraw/zinc/46/84/32/522468432.db2.gz QNAONJOMJSOJDJ-JTQLQIEISA-N 1 0 276.149 2.365 10 0 CEAERO C[NH2+][C@H](CN1c2ccccc2CCCC1=O)C1CC1 ZINC000069077395 522469470 /nfs/dbraw/zinc/46/94/70/522469470.db2.gz LGYSVQWQSADSQD-CQSZACIVSA-N 1 0 258.365 2.354 10 0 CEAERO C[NH2+][C@H](CS(C)(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000055228598 522470569 /nfs/dbraw/zinc/47/05/69/522470569.db2.gz HVDYHZDMSKWWPL-SNVBAGLBSA-N 1 0 281.299 2.011 10 0 CEAERO C[NH2+][C@H](Cc1cnn(C)c1)c1ccc2ncccc2c1 ZINC000062802211 522475885 /nfs/dbraw/zinc/47/58/85/522475885.db2.gz HHMISCQUQFVCKR-MRXNPFEDSA-N 1 0 266.348 2.472 10 0 CEAERO C[NH2+][C@H](Cn1ncccc1=O)C12CC3CC(CC(C3)C1)C2 ZINC000061402228 522477556 /nfs/dbraw/zinc/47/75/56/522477556.db2.gz DUPHZLGTQHIAOF-UZZMVUAXSA-N 1 0 287.407 2.048 10 0 CEAERO C[NH2+][C@H](c1ccc2c(c1)OCCO2)c1ncccc1C ZINC000055227229 522482082 /nfs/dbraw/zinc/48/20/82/522482082.db2.gz IMLLOZDGOJLZIO-MRXNPFEDSA-N 1 0 270.332 2.470 10 0 CEAERO C[NH2+][C@H](c1nccn1C)c1cccc2ncccc21 ZINC000061418636 522487808 /nfs/dbraw/zinc/48/78/08/522487808.db2.gz IJLYDANXHRTFSE-AWEZNQCLSA-N 1 0 252.321 2.277 10 0 CEAERO C[NH2+][C@H]1CCCc2nc(N3CCSCC3)sc21 ZINC000054901815 522498860 /nfs/dbraw/zinc/49/88/60/522498860.db2.gz DMVFIPGZGUJVII-VIFPVBQESA-N 1 0 269.439 2.293 10 0 CEAERO COc1cc(C[C@H](C)[NH3+])cc(OC)c1OC[C@H]1CCOC1 ZINC000049689982 522503739 /nfs/dbraw/zinc/50/37/39/522503739.db2.gz RHOASENHBJVFPO-RYUDHWBXSA-N 1 0 295.379 2.009 10 0 CEAERO C[NH2+][C@H]1CCc2c1cccc2OCCCC(=O)N(C)C ZINC000062799025 522505096 /nfs/dbraw/zinc/50/50/96/522505096.db2.gz HOEPXUDGHACJKD-AWEZNQCLSA-N 1 0 276.380 2.141 10 0 CEAERO C[NH2+][C@](C)(CCCOc1cc(C)cc(C)c1C)C(N)=O ZINC000045520110 522513505 /nfs/dbraw/zinc/51/35/05/522513505.db2.gz OXHBYCHJZWNYQM-MRXNPFEDSA-N 1 0 278.396 2.234 10 0 CEAERO C[NH2+][C@](C)(C[C@@H](C)Sc1nc2ccccc2o1)C(N)=O ZINC000068637616 522521131 /nfs/dbraw/zinc/52/11/31/522521131.db2.gz YIJFEHYARDPPEG-YMTOWFKASA-N 1 0 293.392 2.162 10 0 CEAERO CCc1ncc(C[NH2+][C@H](CN(C)C)C(C)C)s1 ZINC000049199425 522555848 /nfs/dbraw/zinc/55/58/48/522555848.db2.gz NIDCJTLLRRARAR-GFCCVEGCSA-N 1 0 255.431 2.381 10 0 CEAERO CN(CC(F)(F)F)c1cccc(C[NH2+]C2CC2)n1 ZINC000051447816 522578534 /nfs/dbraw/zinc/57/85/34/522578534.db2.gz PQSWGLOKFSLSEL-UHFFFAOYSA-N 1 0 259.275 2.332 10 0 CEAERO COC[C@H](C)N(C)[C@@H](C[NH3+])c1cccc2cccnc21 ZINC000069502642 522596324 /nfs/dbraw/zinc/59/63/24/522596324.db2.gz JSJWJYGEALNUSD-WFASDCNBSA-N 1 0 273.380 2.201 10 0 CEAERO CNc1ccc(C)cc1C(=O)NCCC[NH+]1CCCC1 ZINC000062070001 522604473 /nfs/dbraw/zinc/60/44/73/522604473.db2.gz YKVAZKOQEFSPAT-UHFFFAOYSA-N 1 0 275.396 2.252 10 0 CEAERO CNc1ccc(Cl)c(C(=O)NCC(C)(C)C[NH+](C)C)n1 ZINC000050720019 522616198 /nfs/dbraw/zinc/61/61/98/522616198.db2.gz MFTIGUDKIZHHTE-UHFFFAOYSA-N 1 0 298.818 2.094 10 0 CEAERO CC[C@@H]([NH3+])C(=O)Nc1cc(Br)ccc1OC ZINC000049569886 522639324 /nfs/dbraw/zinc/63/93/24/522639324.db2.gz DSQWMJBOJMRVTO-MRVPVSSYSA-N 1 0 287.157 2.134 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccnc(Cc2csc(C)n2)n1 ZINC000055296912 522645243 /nfs/dbraw/zinc/64/52/43/522645243.db2.gz ZCCQFGVPLQZIDS-SNVBAGLBSA-N 1 0 262.382 2.112 10 0 CEAERO CC[C@@H]([NH3+])Cc1noc(CCc2cccc(C)c2)n1 ZINC000054184454 522646351 /nfs/dbraw/zinc/64/63/51/522646351.db2.gz LTSQWHMZOBXVCT-CYBMUJFWSA-N 1 0 259.353 2.443 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](N1CC[NH+](CC(C)C)CC1)C(C)(C)C ZINC000055077223 522647013 /nfs/dbraw/zinc/64/70/13/522647013.db2.gz LWCDITSLKIXXMO-HUUCEWRRSA-N 1 0 269.477 2.412 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1CC)c1cccs1 ZINC000061594405 522648825 /nfs/dbraw/zinc/64/88/25/522648825.db2.gz JWRCNLMXKOIOIL-PSASIEDQSA-N 1 0 298.437 2.224 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1nnc2ccccn21)C(F)(F)F ZINC000061406508 522654163 /nfs/dbraw/zinc/65/41/63/522654163.db2.gz SDLDMVVDXHZGLD-APPZFPTMSA-N 1 0 290.314 2.490 10 0 CEAERO COc1cc(NCC2CC[NH+](C)CC2)cc(OC)c1OC ZINC000054239602 522738511 /nfs/dbraw/zinc/73/85/11/522738511.db2.gz GRCZNRPFDUFAJQ-UHFFFAOYSA-N 1 0 294.395 2.466 10 0 CEAERO CCc1nnc(C[NH2+][C@@H](Cc2ccccc2)C2CC2)n1C 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ZINC000070345553 523723797 /nfs/dbraw/zinc/72/37/97/523723797.db2.gz LBWAOFUASKBIKU-HOCLYGCPSA-N 1 0 284.444 2.035 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](c2nc(C3(c4ccccc4)CC3)no2)C1 ZINC000062780175 523744488 /nfs/dbraw/zinc/74/44/88/523744488.db2.gz LIBGQPVTAYXQTB-STQMWFEESA-N 1 0 285.347 2.199 10 0 CEAERO COc1ccc(C)cc1C(=O)N(CCC[NH3+])CC(C)C ZINC000052943307 523801912 /nfs/dbraw/zinc/80/19/12/523801912.db2.gz MKVJKRYYOXHEIE-UHFFFAOYSA-N 1 0 278.396 2.451 10 0 CEAERO COC(=O)[C@@](C)([NH3+])CCCOc1cc(F)cc(F)c1 ZINC000054934116 523817323 /nfs/dbraw/zinc/81/73/23/523817323.db2.gz IUDQVERBLDXBQP-ZDUSSCGKSA-N 1 0 273.279 2.014 10 0 CEAERO COC(=O)[C@@](C)(C[C@H](C)[N@H+](C)CC(C)(C)C)NC1CC1 ZINC000068636203 523817904 /nfs/dbraw/zinc/81/79/04/523817904.db2.gz NIQRVTFXOBTSRI-BLLLJJGKSA-N 1 0 284.444 2.427 10 0 CEAERO COc1ccc(C)cc1[C@@H]([NH3+])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000052943462 523855104 /nfs/dbraw/zinc/85/51/04/523855104.db2.gz ULVCXEBBSJDAQY-HNNXBMFYSA-N 1 0 283.331 2.221 10 0 CEAERO CC[C@H](C)C[NH2+]CC(=O)Nc1ccc(OC)cc1 ZINC000054472193 523884189 /nfs/dbraw/zinc/88/41/89/523884189.db2.gz MGKXJMPTJGXDKJ-NSHDSACASA-N 1 0 250.342 2.269 10 0 CEAERO COC(=O)[C@H](C)n1c(N)[nH+]c2cc(Br)ccc21 ZINC000049360975 523891214 /nfs/dbraw/zinc/89/12/14/523891214.db2.gz YKCSMTNEVPIRBR-LURJTMIESA-N 1 0 298.140 2.115 10 0 CEAERO COc1ccc(CCC(=O)N[C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000063211375 523925095 /nfs/dbraw/zinc/92/50/95/523925095.db2.gz KJOWAGAIIHRHSZ-HOTGVXAUSA-N 1 0 290.407 2.404 10 0 CEAERO COCC[NH2+]CC(=O)c1cc(C)n(C(C)(C)C)c1C ZINC000062654862 523933987 /nfs/dbraw/zinc/93/39/87/523933987.db2.gz ZRDDMCHIAYAIJV-UHFFFAOYSA-N 1 0 266.385 2.279 10 0 CEAERO COCC[NH2+]CC(C)(C)Cc1cccc(OC)c1 ZINC000054638657 523934410 /nfs/dbraw/zinc/93/44/10/523934410.db2.gz AWVDZRQBOPNVGY-UHFFFAOYSA-N 1 0 251.370 2.500 10 0 CEAERO COCC[NH2+]CCCc1cnn(CCC(C)C)c1 ZINC000054681046 523937801 /nfs/dbraw/zinc/93/78/01/523937801.db2.gz FADGRNXIEBGGMI-UHFFFAOYSA-N 1 0 253.390 2.098 10 0 CEAERO COCC[NH2+]C[C@@H](O)c1csc2ccccc21 ZINC000055030707 523940735 /nfs/dbraw/zinc/94/07/35/523940735.db2.gz WNOPEYAJOIFDCJ-GFCCVEGCSA-N 1 0 251.351 2.171 10 0 CEAERO COCC[NH2+]C[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000062721064 523941580 /nfs/dbraw/zinc/94/15/80/523941580.db2.gz DTJOEKJOAJZUOU-UWVGGRQHSA-N 1 0 259.271 2.443 10 0 CEAERO COCC[NH2+]C[C@@]1(Cc2cccc(F)c2F)CCOC1 ZINC000054666435 523942389 /nfs/dbraw/zinc/94/23/89/523942389.db2.gz LXURTEJRRJRTII-HNNXBMFYSA-N 1 0 285.334 2.150 10 0 CEAERO COCC[NH2+]C[C@H](C)Cc1cc(C)ccc1OC ZINC000054659979 523942656 /nfs/dbraw/zinc/94/26/56/523942656.db2.gz OHJGDKNYIMOOBM-CYBMUJFWSA-N 1 0 251.370 2.418 10 0 CEAERO COCC[NH2+]Cc1c(C)nc(C(C)(C)C)nc1C ZINC000054854577 523946066 /nfs/dbraw/zinc/94/60/66/523946066.db2.gz JSLOQWQITGPGCV-UHFFFAOYSA-N 1 0 251.374 2.127 10 0 CEAERO COCC[NH2+]Cc1c(C)nn(C)c1Oc1ccc(F)cc1 ZINC000062739151 523947146 /nfs/dbraw/zinc/94/71/46/523947146.db2.gz RCVJCVDHYYMVSM-UHFFFAOYSA-N 1 0 293.342 2.396 10 0 CEAERO COc1ccc(CCNC(=O)CC[C@@H]2CCCC[NH2+]2)cc1 ZINC000050939469 523955046 /nfs/dbraw/zinc/95/50/46/523955046.db2.gz OFHJWPNQYVDOKO-HNNXBMFYSA-N 1 0 290.407 2.276 10 0 CEAERO CC[C@H](C)[NH+]1CCN(c2cc(C)nc(Cl)n2)CC1 ZINC000055084621 523960725 /nfs/dbraw/zinc/96/07/25/523960725.db2.gz QGSUUKUTEWCAKY-NSHDSACASA-N 1 0 268.792 2.359 10 0 CEAERO COC(=O)[C@](C)(C[C@H](C)[NH+]1CCCCCC1)NC1CC1 ZINC000068619694 524000297 /nfs/dbraw/zinc/00/02/97/524000297.db2.gz SGHPBZWKMZTMJU-BBRMVZONSA-N 1 0 282.428 2.325 10 0 CEAERO COC(=O)[C@](C)([NH3+])C[C@H](C)n1cnc2cc(C)c(C)cc21 ZINC000068648722 524002096 /nfs/dbraw/zinc/00/20/96/524002096.db2.gz VEJZBJFIJXGFKD-BLLLJJGKSA-N 1 0 289.379 2.495 10 0 CEAERO COC(=O)[C@](C[N@H+](C)CC(C)(C)C)(NC(C)C)C1CC1 ZINC000069132525 524003547 /nfs/dbraw/zinc/00/35/47/524003547.db2.gz OSMMEPPYVCEIEO-MRXNPFEDSA-N 1 0 284.444 2.284 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)N1CC[C@H](c2ccccc2)C1 ZINC000050600292 524003659 /nfs/dbraw/zinc/00/36/59/524003659.db2.gz IFJVTRMLYLUULD-ZFWWWQNUSA-N 1 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1 0 294.395 2.098 10 0 CEAERO CNC(=O)[C@@H]1CCCN1c1ccccc1C[NH2+]C(C)(C)C ZINC000062737515 524082623 /nfs/dbraw/zinc/08/26/23/524082623.db2.gz NJEMUWOCJKUOHK-HNNXBMFYSA-N 1 0 289.423 2.290 10 0 CEAERO COc1ccc(C[NH2+][C@@H]2C[C@H]2C)c(OC)c1OC ZINC000052269480 524087118 /nfs/dbraw/zinc/08/71/18/524087118.db2.gz GPOLHSYXBHZSRR-MWLCHTKSSA-N 1 0 251.326 2.210 10 0 CEAERO CNC(=O)[C@H](C)Oc1ccc(OC)cc1C[NH2+]C(C)(C)C ZINC000062727530 524102581 /nfs/dbraw/zinc/10/25/81/524102581.db2.gz CUIWBAWLJVMCAL-NSHDSACASA-N 1 0 294.395 2.097 10 0 CEAERO Cc1cccc(-c2nc(CN3[C@@H](C)C[NH2+]C[C@@H]3C)no2)c1 ZINC000069134353 524119571 /nfs/dbraw/zinc/11/95/71/524119571.db2.gz FNQMBLOKAVGXPI-STQMWFEESA-N 1 0 286.379 2.227 10 0 CEAERO C[C@H]1CCC[C@@H](C(=O)NCc2ccc(F)cc2F)[NH2+]1 ZINC000051017942 524128807 /nfs/dbraw/zinc/12/88/07/524128807.db2.gz JKBCCNRKDUMVBQ-ZANVPECISA-N 1 0 268.307 2.112 10 0 CEAERO C[C@H]1CCC[C@@H](C[NH3+])N1Cc1noc(C(C)(C)C)n1 ZINC000070156900 524134122 /nfs/dbraw/zinc/13/41/22/524134122.db2.gz FBIWYRBKNJHNEW-QWRGUYRKSA-N 1 0 266.389 2.069 10 0 CEAERO Cc1ccc(C)c(NC(=O)CSCCC[NH3+])c1 ZINC000058250076 524136198 /nfs/dbraw/zinc/13/61/98/524136198.db2.gz OLLKLVIDOJFCRX-UHFFFAOYSA-N 1 0 252.383 2.324 10 0 CEAERO C[C@H](CC[NH+](C)C)NC(=O)c1cccc2c1NCCC2 ZINC000050957983 524162853 /nfs/dbraw/zinc/16/28/53/524162853.db2.gz FPEGSMJLMZGPCP-GFCCVEGCSA-N 1 0 275.396 2.115 10 0 CEAERO COc1cccc([C@H]([C@@H](C)[NH3+])N2CCC[C@@H]2CCCO)c1 ZINC000052757299 524168021 /nfs/dbraw/zinc/16/80/21/524168021.db2.gz CBCHKVVYMLHBKM-UNEWFSDZSA-N 1 0 292.423 2.320 10 0 CEAERO C[C@H](CCNC(=O)C1CC[NH2+]CC1)c1ccccc1 ZINC000061910993 524180396 /nfs/dbraw/zinc/18/03/96/524180396.db2.gz KCGXTFOVQGTQBG-CYBMUJFWSA-N 1 0 260.381 2.296 10 0 CEAERO Cc1ccc(C)c(OC[C@]([NH2+]C(C)C)(C(N)=O)C2CC2)c1 ZINC000069197293 524182684 /nfs/dbraw/zinc/18/26/84/524182684.db2.gz PYGJNCWTRFPASM-QGZVFWFLSA-N 1 0 290.407 2.314 10 0 CEAERO Cc1cccc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1N ZINC000049550948 524206586 /nfs/dbraw/zinc/20/65/86/524206586.db2.gz KTYCSAODNDEGCS-ZDUSSCGKSA-N 1 0 277.412 2.283 10 0 CEAERO C[C@H]1CCC[C@H](SCC(=O)N2CCC[NH2+]CC2)C1 ZINC000054694790 524210588 /nfs/dbraw/zinc/21/05/88/524210588.db2.gz PICLYFKGQGUQOH-STQMWFEESA-N 1 0 270.442 2.120 10 0 CEAERO COc1ccc(Cl)cc1NC(=O)CSCCC[NH3+] ZINC000058250088 524226362 /nfs/dbraw/zinc/22/63/62/524226362.db2.gz MEUZFIBVPQTTIS-UHFFFAOYSA-N 1 0 288.800 2.369 10 0 CEAERO Cc1cc(C)c(C(=O)N2[C@@H](C)C[NH2+]C[C@@H]2C)c(C)c1 ZINC000069133033 524228872 /nfs/dbraw/zinc/22/88/72/524228872.db2.gz QJIXGEHFDMZQEP-KBPBESRZSA-N 1 0 260.381 2.434 10 0 CEAERO C[C@@H]1CCC[NH2+][C@H]1C(=O)N(C)c1ccc(F)cc1 ZINC000051813167 524263463 /nfs/dbraw/zinc/26/34/63/524263463.db2.gz FMSBYGBQYPIKRB-ZWNOBZJWSA-N 1 0 250.317 2.177 10 0 CEAERO C[C@@H](C(=O)Nc1ccccc1OC(F)(F)F)C1C[NH2+]C1 ZINC000163824295 524281201 /nfs/dbraw/zinc/28/12/01/524281201.db2.gz LVZIVVHIWVBDPZ-MRVPVSSYSA-N 1 0 288.269 2.379 10 0 CEAERO C[C@H](C[NH3+])c1noc(-c2c(F)c(F)c(F)c(F)c2F)n1 ZINC000054158924 524311225 /nfs/dbraw/zinc/31/12/25/524311225.db2.gz PMYQREXXAZSIPK-GSVOUGTGSA-N 1 0 293.195 2.494 10 0 CEAERO C[C@H](C[NH+]1CCCC1)n1c(N)cc2ccccc2c1=O ZINC000049185795 524321770 /nfs/dbraw/zinc/32/17/70/524321770.db2.gz VCPHYDJCTPHTJK-GFCCVEGCSA-N 1 0 271.364 2.241 10 0 CEAERO Cc1cccc(CCC(=O)N2[C@@H](C)C[NH2+]C[C@@H]2C)c1 ZINC000069132634 524348859 /nfs/dbraw/zinc/34/88/59/524348859.db2.gz XNKGBMLQHGAARS-KBPBESRZSA-N 1 0 260.381 2.136 10 0 CEAERO C[C@H]1CC[C@@H](CNC(=O)Nc2ccc(F)cc2)C[NH2+]1 ZINC000062037334 524353292 /nfs/dbraw/zinc/35/32/92/524353292.db2.gz XAYRWSBYEVCJME-WDEREUQCSA-N 1 0 265.332 2.335 10 0 CEAERO C[C@H](CN1CCOCC1)[NH2+]Cc1ccc2ccccc2n1 ZINC000049505502 524357566 /nfs/dbraw/zinc/35/75/66/524357566.db2.gz JQRHSGDQPDKLRP-CQSZACIVSA-N 1 0 285.391 2.045 10 0 CEAERO COc1ccccc1CC(=O)N[C@H]1CCCCC[C@@H]1[NH3+] ZINC000063211174 524384954 /nfs/dbraw/zinc/38/49/54/524384954.db2.gz DFYGUEGPXHABHB-KBPBESRZSA-N 1 0 276.380 2.014 10 0 CEAERO C[C@H]1CC[C@H](C[NH3+])CN1c1ncnc2ccsc21 ZINC000053704398 524406150 /nfs/dbraw/zinc/40/61/50/524406150.db2.gz AZXAVRUCHGQZLH-VHSXEESVSA-N 1 0 262.382 2.255 10 0 CEAERO Cc1cccc(CNC(=O)c2c[nH+]c(NN)c(Cl)c2)c1 ZINC000051091522 524430299 /nfs/dbraw/zinc/43/02/99/524430299.db2.gz FQOBPJMWMIPSNJ-UHFFFAOYSA-N 1 0 290.754 2.259 10 0 CEAERO COc1ccccc1CN(C)Cc1cccnc1C(N)=[NH2+] ZINC000061658126 524435751 /nfs/dbraw/zinc/43/57/51/524435751.db2.gz XRGNKHGXNOPYDO-UHFFFAOYSA-N 1 0 284.363 2.006 10 0 CEAERO Cc1cccc(C[C@@H](CCS(C)(=O)=O)C[NH2+]C2CC2)c1 ZINC000052976720 524463996 /nfs/dbraw/zinc/46/39/96/524463996.db2.gz NQUQVXTYSIAYEC-OAHLLOKOSA-N 1 0 295.448 2.340 10 0 CEAERO C[C@@H](CCc1ccco1)NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000070255202 524545208 /nfs/dbraw/zinc/54/52/08/524545208.db2.gz PBZDGEZNIFILNH-GXTWGEPZSA-N 1 0 276.380 2.107 10 0 CEAERO Cc1ccc(CNC(=O)[C@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)o1 ZINC000053038358 524552848 /nfs/dbraw/zinc/55/28/48/524552848.db2.gz YJAOAMRFCPNBEX-FPMFFAJLSA-N 1 0 262.353 2.125 10 0 CEAERO C[C@@H]1CC[C@@H](C(=O)Nc2cc(F)cc(F)c2F)C[NH2+]1 ZINC000061120271 524560775 /nfs/dbraw/zinc/56/07/75/524560775.db2.gz GLBYFZWWMASPNC-HTQZYQBOSA-N 1 0 272.270 2.431 10 0 CEAERO C[C@@H](C[NH+]1CCCC1)NC(=O)c1cc(N)ccc1Cl ZINC000049149109 524589987 /nfs/dbraw/zinc/58/99/87/524589987.db2.gz FGGAFNQACGRCTF-JTQLQIEISA-N 1 0 281.787 2.136 10 0 CEAERO C[C@H](COc1cccc(C[NH2+]C(C)(C)C)c1)C(N)=O ZINC000062731301 524592062 /nfs/dbraw/zinc/59/20/62/524592062.db2.gz LOCJRMOFRZGZTH-LLVKDONJSA-N 1 0 264.369 2.075 10 0 CEAERO C[C@H](C[C@](C)(N)C(N)=O)[N@@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000068648175 524654043 /nfs/dbraw/zinc/65/40/43/524654043.db2.gz QTUVMKMWVRQRFA-WWGRRREGSA-N 1 0 283.460 2.116 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C)N1C(=O)c1cc2ccccc2o1 ZINC000069132591 524697759 /nfs/dbraw/zinc/69/77/59/524697759.db2.gz SWTFXZUGYMPAMP-QWRGUYRKSA-N 1 0 258.321 2.255 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C)N1CCOc1ccccc1Cl ZINC000069134554 524698597 /nfs/dbraw/zinc/69/85/97/524698597.db2.gz QFUIILAZPDDTSL-RYUDHWBXSA-N 1 0 268.788 2.401 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C)N1Cc1csc(-c2ccccn2)n1 ZINC000069134821 524699806 /nfs/dbraw/zinc/69/98/06/524699806.db2.gz CQMDGPJYNHGUAV-RYUDHWBXSA-N 1 0 288.420 2.387 10 0 CEAERO Cc1cc(CN2C[C@@H](C)OC(C)(C)C2)oc1C[NH3+] ZINC000052543526 524713971 /nfs/dbraw/zinc/71/39/71/524713971.db2.gz MMLAYXRAQDKQMN-LLVKDONJSA-N 1 0 252.358 2.046 10 0 CEAERO Cc1cccc(OCCCN2[C@@H](C)C[NH2+]C[C@@H]2C)c1 ZINC000069134143 524735134 /nfs/dbraw/zinc/73/51/34/524735134.db2.gz UFJVHFRNVYYNFV-GJZGRUSLSA-N 1 0 262.397 2.446 10 0 CEAERO C[C@@H](C[NH2+]C1CCCC1)n1nnc(-c2ccco2)n1 ZINC000053539141 524735494 /nfs/dbraw/zinc/73/54/94/524735494.db2.gz OTVPTHOMKCJFTB-JTQLQIEISA-N 1 0 261.329 2.026 10 0 CEAERO C[C@@H](C[NH2+]C[C@@H]1CCCO1)Oc1cccc(F)c1 ZINC000053567136 524738893 /nfs/dbraw/zinc/73/88/93/524738893.db2.gz ZMRPFOKYXPEXHJ-FZMZJTMJSA-N 1 0 253.317 2.362 10 0 CEAERO Cc1ccc(F)c(C(=O)NC[C@@H]2CCC[C@@H](C)[NH2+]2)c1 ZINC000052981649 524792288 /nfs/dbraw/zinc/79/22/88/524792288.db2.gz YJZDOAOANHHPGE-NEPJUHHUSA-N 1 0 264.344 2.395 10 0 CEAERO Cc1ccc(F)c(C(=O)NC[C@H]2CCC[C@H](C)[NH2+]2)c1 ZINC000052981647 524795234 /nfs/dbraw/zinc/79/52/34/524795234.db2.gz YJZDOAOANHHPGE-NWDGAFQWSA-N 1 0 264.344 2.395 10 0 CEAERO Cc1cc(C[C@H](C)[NH3+])nc(COc2ccccc2)n1 ZINC000054835060 524828105 /nfs/dbraw/zinc/82/81/05/524828105.db2.gz XUDFRRDEAHSRRN-NSHDSACASA-N 1 0 257.337 2.254 10 0 CEAERO Cc1ccc(F)cc1C(=O)N1C[C@@H]2C[C@@H]([NH3+])CC[C@@H]2C1 ZINC000062666707 524843594 /nfs/dbraw/zinc/84/35/94/524843594.db2.gz HVABEKDTVQEIBV-DYEKYZERSA-N 1 0 276.355 2.334 10 0 CEAERO C[C@@H](C[C@@](C)([NH2+]C1CC1)C(=O)[O-])[NH+]1CCC(C)(C)CC1 ZINC000068643195 524851074 /nfs/dbraw/zinc/85/10/74/524851074.db2.gz QFSFYMKUHDDYIY-BLLLJJGKSA-N 1 0 282.428 2.482 10 0 CEAERO C[C@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C1CC1)c1ccccc1 ZINC000061594572 524853228 /nfs/dbraw/zinc/85/32/28/524853228.db2.gz UOZSJODINUYFMH-CABZTGNLSA-N 1 0 290.392 2.087 10 0 CEAERO C[C@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(=O)Cc1cccc(Cl)c1 ZINC000052945275 524863994 /nfs/dbraw/zinc/86/39/94/524863994.db2.gz IZWTUCXLRNPYNJ-SUHUHFCYSA-N 1 0 278.783 2.091 10 0 CEAERO Cc1cccc([C@H](C[NH3+])N(CCO)Cc2ccccc2)c1 ZINC000050513855 524879843 /nfs/dbraw/zinc/87/98/43/524879843.db2.gz QXCNVJNSNXFXBR-SFHVURJKSA-N 1 0 284.403 2.489 10 0 CEAERO COc1ccc(OC)c([C@@H]([NH3+])Cc2cccnc2)c1 ZINC000055234828 524885268 /nfs/dbraw/zinc/88/52/68/524885268.db2.gz KDJLVTULWBRPNC-AWEZNQCLSA-N 1 0 258.321 2.341 10 0 CEAERO C[C@H]1Cc2ccccc2N1Cc1ccc[nH+]c1NN ZINC000052724493 524994043 /nfs/dbraw/zinc/99/40/43/524994043.db2.gz UBDAITUIFSPGQY-NSHDSACASA-N 1 0 254.337 2.318 10 0 CEAERO C[C@@H]([NH3+])[C@@H]1CCCCN1c1ncnc2ccccc21 ZINC000063196655 525007915 /nfs/dbraw/zinc/00/79/15/525007915.db2.gz NXAKIVOCRMEPHZ-RISCZKNCSA-N 1 0 256.353 2.336 10 0 CEAERO C[C@@H]([NH3+])[C@H](N1CCOc2ccccc2C1)C(F)(F)F ZINC000063012374 525016285 /nfs/dbraw/zinc/01/62/85/525016285.db2.gz RTHWYHMMJXWZKH-SKDRFNHKSA-N 1 0 274.286 2.159 10 0 CEAERO C[C@@H]1CN([C@@H](C[NH3+])c2ccc3ncccc3c2)CCCO1 ZINC000069502777 525056207 /nfs/dbraw/zinc/05/62/07/525056207.db2.gz ZLMBILIOHZQONM-DYVFJYSZSA-N 1 0 285.391 2.345 10 0 CEAERO C[C@@H](NC(=O)CC[C@H]1CCCC[NH2+]1)c1ccncc1 ZINC000050942084 525090806 /nfs/dbraw/zinc/09/08/06/525090806.db2.gz SCBCPGXLLLNNGT-TZMCWYRMSA-N 1 0 261.369 2.181 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C)N1C(=O)[C@@H]1CCCc2ccccc21 ZINC000069132747 525096269 /nfs/dbraw/zinc/09/62/69/525096269.db2.gz IOLLWHSGXFRYGO-XJKCOSOUSA-N 1 0 272.392 2.315 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C)N1Cc1ccc2ccccc2n1 ZINC000069134849 525097656 /nfs/dbraw/zinc/09/76/56/525097656.db2.gz TZOXNKHESVIOGE-CHWSQXEVSA-N 1 0 255.365 2.417 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H](C)N1C(=O)CCCc1ccccc1 ZINC000069133099 525099005 /nfs/dbraw/zinc/09/90/05/525099005.db2.gz GPCJJNBXCPNVET-OKILXGFUSA-N 1 0 260.381 2.218 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C)N1Cc1cn2cc(Cl)ccc2n1 ZINC000069134804 525099804 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COc1ccc([C@@H](O)C[NH2+][C@H](CC(C)C)CN(C)C)cc1 ZINC000049555672 525206316 /nfs/dbraw/zinc/20/63/16/525206316.db2.gz UDROGTRLCULNCO-WBVHZDCISA-N 1 0 294.439 2.295 10 0 CEAERO Cc1cc(NC(=O)[C@@H]2CCC[NH2+]2)nn1-c1ccc(C)cc1 ZINC000183049353 525218314 /nfs/dbraw/zinc/21/83/14/525218314.db2.gz JIXJSOMMYVYNCA-AWEZNQCLSA-N 1 0 284.363 2.180 10 0 CEAERO Cc1ccccc1N(CCC[NH3+])Cc1ncccn1 ZINC000054458589 525219341 /nfs/dbraw/zinc/21/93/41/525219341.db2.gz VZCDGRCCQMFEDJ-UHFFFAOYSA-N 1 0 256.353 2.140 10 0 CEAERO CS(=O)(=O)c1cccc(OCCC[C@@H]2CCC[NH2+]2)c1 ZINC000052765146 525271201 /nfs/dbraw/zinc/27/12/01/525271201.db2.gz DBXHNFGUUXXHAE-LBPRGKRZSA-N 1 0 283.393 2.001 10 0 CEAERO C[C@@H](NC(=O)[C@@](C)([NH3+])c1ccccc1)c1ccncc1 ZINC000052881560 525277556 /nfs/dbraw/zinc/27/75/56/525277556.db2.gz ISOSNFNCEBXWFJ-WBMJQRKESA-N 1 0 269.348 2.133 10 0 CEAERO C[C@@H](NC(=O)[C@@](C)([NH3+])c1ccccc1)c1ccco1 ZINC000052881590 525277872 /nfs/dbraw/zinc/27/78/72/525277872.db2.gz KEKNKMXLOLRRFB-ABAIWWIYSA-N 1 0 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525623683 /nfs/dbraw/zinc/62/36/83/525623683.db2.gz JJNCJKMMNSVZQX-WDEREUQCSA-N 1 0 258.431 2.022 10 0 CEAERO CSC[C@@H](C)C[NH2+]CC(=O)Nc1ccc(F)cc1 ZINC000069447607 525621691 /nfs/dbraw/zinc/62/16/91/525621691.db2.gz YEKKJJQOWQJGAV-JTQLQIEISA-N 1 0 270.373 2.353 10 0 CEAERO C[C@H](Nc1nncc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000050163941 525687883 /nfs/dbraw/zinc/68/78/83/525687883.db2.gz CILWEYMYWDTJAT-NWDGAFQWSA-N 1 0 256.353 2.430 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)[C@@H](C)C2C[NH2+]C2)c(C)c1 ZINC000164117326 525710881 /nfs/dbraw/zinc/71/08/81/525710881.db2.gz VOYLJORPSNMGBO-QWHCGFSZSA-N 1 0 260.381 2.336 10 0 CEAERO COc1cccc(-c2nc(C)cc(C[C@H](C)[NH3+])n2)c1 ZINC000054835460 525722434 /nfs/dbraw/zinc/72/24/34/525722434.db2.gz DFIWEHJFTBZANJ-JTQLQIEISA-N 1 0 257.337 2.350 10 0 CEAERO C[C@@]([NH3+])(C(=O)N[C@@H]1CCCc2sccc21)C1CC1 ZINC000061365846 525746464 /nfs/dbraw/zinc/74/64/64/525746464.db2.gz FIOMVLHPWQBEOP-RISCZKNCSA-N 1 0 264.394 2.369 10 0 CEAERO C[C@H](O)c1ccc(NC(=O)N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061655760 525856301 /nfs/dbraw/zinc/85/63/01/525856301.db2.gz RJYMUFMWIZPTJF-SWLSCSKDSA-N 1 0 291.395 2.298 10 0 CEAERO C[C@@]1(c2nc(CCc3ccccc3)no2)CCC[NH2+]C1 ZINC000062872215 525906990 /nfs/dbraw/zinc/90/69/90/525906990.db2.gz WWCKZJNGPNIIMZ-MRXNPFEDSA-N 1 0 271.364 2.496 10 0 CEAERO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COCCOC(C)C)cc1 ZINC000049556585 525923175 /nfs/dbraw/zinc/92/31/75/525923175.db2.gz SVUDPJMOMXFBQW-DOTOQJQBSA-N 1 0 295.423 2.448 10 0 CEAERO Cc1ccc(-n2nnnc2C[NH2+]CC(C)C)c(Cl)c1 ZINC000054744327 525936267 /nfs/dbraw/zinc/93/62/67/525936267.db2.gz LVCYBBBPHYXVTM-UHFFFAOYSA-N 1 0 279.775 2.370 10 0 CEAERO CSc1ccc(-n2nnnc2C[NH2+]CC(C)C)cc1 ZINC000054745400 525949926 /nfs/dbraw/zinc/94/99/26/525949926.db2.gz CARXILYWKDALLN-UHFFFAOYSA-N 1 0 277.397 2.130 10 0 CEAERO Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H]2CN(C)C)cc1 ZINC000061652629 525972979 /nfs/dbraw/zinc/97/29/79/525972979.db2.gz VKXLWZRSSCMQPB-HZPDHXFCSA-N 1 0 262.397 2.054 10 0 CEAERO Cc1ccc([C@H]([C@@H](C)[NH3+])N2CCC[C@@H]2CCCO)o1 ZINC000052757227 525978959 /nfs/dbraw/zinc/97/89/59/525978959.db2.gz WONMVWRAFZTMHN-NFAWXSAZSA-N 1 0 266.385 2.213 10 0 CEAERO C[C@@H](c1cccc(Br)c1)N1C[C@@H]([NH3+])CC1=O ZINC000049570140 526065845 /nfs/dbraw/zinc/06/58/45/526065845.db2.gz JJFADBCZQDEYAM-KWQFWETISA-N 1 0 283.169 2.070 10 0 CEAERO COc1cccc(NC(=O)[C@H](C[NH3+])c2ccccc2)c1 ZINC000061610914 526198655 /nfs/dbraw/zinc/19/86/55/526198655.db2.gz MNMPYDCPFHCZRB-OAHLLOKOSA-N 1 0 270.332 2.376 10 0 CEAERO Cc1ccc(C(=O)Nc2cc(C[NH3+])ccc2C)cn1 ZINC000050430662 526217639 /nfs/dbraw/zinc/21/76/39/526217639.db2.gz NZZIZLYDZRUCQF-UHFFFAOYSA-N 1 0 255.321 2.409 10 0 CEAERO Cc1ccc(C(=O)Nc2nc3c(s2)C[NH2+]CC3)c(C)n1 ZINC000055331077 526229045 /nfs/dbraw/zinc/22/90/45/526229045.db2.gz NHZXNSWIZSGPOW-UHFFFAOYSA-N 1 0 288.376 2.053 10 0 CEAERO C[C@H]1CCCC[N@@H+]1CCCn1ccc(=O)[nH]c1=S ZINC000052312755 526249084 /nfs/dbraw/zinc/24/90/84/526249084.db2.gz NXANPLGHZPWVND-NSHDSACASA-N 1 0 267.398 2.170 10 0 CEAERO C[C@H]1CCCN(C(=O)COc2ccc(C[NH3+])cc2)[C@H]1C ZINC000050563583 526265158 /nfs/dbraw/zinc/26/51/58/526265158.db2.gz PAFUNWCIQNJPCS-STQMWFEESA-N 1 0 276.380 2.171 10 0 CEAERO O[C@H](C[NH2+]C1CC1)c1cc(Br)cs1 ZINC000055029378 526275920 /nfs/dbraw/zinc/27/59/20/526275920.db2.gz VXGQNYPVCQWCMP-MRVPVSSYSA-N 1 0 262.172 2.296 10 0 CEAERO Cc1nn(CCCOc2ccccc2)c(C)c1CC[NH3+] ZINC000062802742 526280947 /nfs/dbraw/zinc/28/09/47/526280947.db2.gz JXJRZIPRVBMJTA-UHFFFAOYSA-N 1 0 273.380 2.470 10 0 CEAERO Cc1nn(CCOCCC(C)C)c(C)c1CC[NH3+] ZINC000054740971 526281955 /nfs/dbraw/zinc/28/19/55/526281955.db2.gz GYAFYYUPEUSSGG-UHFFFAOYSA-N 1 0 253.390 2.064 10 0 CEAERO Cc1nn(CCc2ccncc2)c(C)c1C[C@@H](C)[NH3+] ZINC000062803263 526283028 /nfs/dbraw/zinc/28/30/28/526283028.db2.gz KPGVVCVISPVIEA-LLVKDONJSA-N 1 0 258.369 2.027 10 0 CEAERO Cc1nn(C[C@@H]2CCCO2)c(C)c1C[NH2+]CC(C)C ZINC000054717565 526285474 /nfs/dbraw/zinc/28/54/74/526285474.db2.gz NKRDTFOKXJSTQK-AWEZNQCLSA-N 1 0 265.401 2.425 10 0 CEAERO Cc1nn([C@@H](C)C[C@@](C)([NH2+]C(C)C)C(N)=O)c(C)c1C ZINC000068649133 526301546 /nfs/dbraw/zinc/30/15/46/526301546.db2.gz ULMZLEJDLXVXEI-ZUZCIYMTSA-N 1 0 280.416 2.001 10 0 CEAERO Cc1nn([C@@H]2CCC[C@H]2O)c(C)c1C[NH2+]C(C)C ZINC000054599509 526303287 /nfs/dbraw/zinc/30/32/87/526303287.db2.gz JKFWKOQPECFHKR-ZIAGYGMSSA-N 1 0 251.374 2.084 10 0 CEAERO Cc1nn([C@H](C[NH3+])c2ccccn2)c(C)c1Br ZINC000050588804 526306221 /nfs/dbraw/zinc/30/62/21/526306221.db2.gz DKLNPEFOLFDEMY-LLVKDONJSA-N 1 0 295.184 2.206 10 0 CEAERO O=C(NCC[NH+]1CCCCCC1)c1ccc2c[nH]nc2c1 ZINC000061670501 526310222 /nfs/dbraw/zinc/31/02/22/526310222.db2.gz OJQKHOVBNQKRHD-UHFFFAOYSA-N 1 0 286.379 2.169 10 0 CEAERO Cc1nnc(N(C)CC[NH2+]C2CC2)c2ccccc12 ZINC000053707150 526351601 /nfs/dbraw/zinc/35/16/01/526351601.db2.gz GMOPJNINMLNAJV-UHFFFAOYSA-N 1 0 256.353 2.126 10 0 CEAERO Cc1nnc(SC2CCCC2)c(C(N)=[NH2+])c1C ZINC000062829739 526378672 /nfs/dbraw/zinc/37/86/72/526378672.db2.gz UMOBPHNLAWDEHS-UHFFFAOYSA-N 1 0 250.371 2.412 10 0 CEAERO Cc1nnc(Sc2cc(C(N)=[NH2+])c3ccccc3n2)n1C ZINC000068798490 526390961 /nfs/dbraw/zinc/39/09/61/526390961.db2.gz UYRVECVZNRIOAS-UHFFFAOYSA-N 1 0 298.375 2.107 10 0 CEAERO c1[nH]c2ccccc2c1C[NH2+][C@H]1CN2CCC1CC2 ZINC000049137942 526392660 /nfs/dbraw/zinc/39/26/60/526392660.db2.gz FTMJXTXARBDBAN-INIZCTEOSA-N 1 0 255.365 2.352 10 0 CEAERO Cc1csc(SCc2cc[nH+]c(NN)c2)n1 ZINC000052731373 526399061 /nfs/dbraw/zinc/39/90/61/526399061.db2.gz JWHSZFMNGXBZDZ-UHFFFAOYSA-N 1 0 252.368 2.424 10 0 CEAERO c1cc(CN2CCSCC2)c(C[NH2+]C2CC2)o1 ZINC000052425567 526423956 /nfs/dbraw/zinc/42/39/56/526423956.db2.gz CBQXYGCJSDZHQR-UHFFFAOYSA-N 1 0 252.383 2.080 10 0 CEAERO Cc1noc(-c2ccccc2NC(=O)CC[C@H](C)[NH3+])n1 ZINC000070315265 526455641 /nfs/dbraw/zinc/45/56/41/526455641.db2.gz UMVPKBYEFWMZLG-VIFPVBQESA-N 1 0 274.324 2.111 10 0 CEAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1CCOCC1CC1 ZINC000174237742 526469184 /nfs/dbraw/zinc/46/91/84/526469184.db2.gz NNTGXFRMNTZEDR-AWEZNQCLSA-N 1 0 298.427 2.402 10 0 CEAERO O=C(CC[N@H+]1CCC[C@H]1CCCO)Nc1ccccc1 ZINC000052762196 526485182 /nfs/dbraw/zinc/48/51/82/526485182.db2.gz NVEAJVHBMWOOOO-HNNXBMFYSA-N 1 0 276.380 2.252 10 0 CEAERO O=C(CC[NH2+]C1CC1)N1CCC2(CCCC2)CC1 ZINC000062958361 526509749 /nfs/dbraw/zinc/50/97/49/526509749.db2.gz MCJLCUJDCVYMOJ-UHFFFAOYSA-N 1 0 250.386 2.311 10 0 CEAERO c1ccc2c(c1)ncnc2SCC[NH2+]C1CCOCC1 ZINC000062768302 526515141 /nfs/dbraw/zinc/51/51/41/526515141.db2.gz MUWPVZOFTQJPMF-UHFFFAOYSA-N 1 0 289.404 2.491 10 0 CEAERO c1cn([C@@H]2CCC[C@H]2[NH2+][C@@H]2CCCSC2)cn1 ZINC000061587561 526536479 /nfs/dbraw/zinc/53/64/79/526536479.db2.gz HUQORIXRZAPBHY-JHJVBQTASA-N 1 0 251.399 2.462 10 0 CEAERO O=C(CC[C@@H]1CCCC[NH2+]1)NCCc1cccc(F)c1 ZINC000050942446 526546803 /nfs/dbraw/zinc/54/68/03/526546803.db2.gz XPKGHGOBIBUICC-HNNXBMFYSA-N 1 0 278.371 2.407 10 0 CEAERO O=C(CCc1ccccc1)N1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000051358656 526607366 /nfs/dbraw/zinc/60/73/66/526607366.db2.gz IHKDSGPMFAPSKQ-HZPDHXFCSA-N 1 0 272.392 2.362 10 0 CEAERO c1nnc(CC[C@H]2CCCC[NH2+]2)n1-c1ccccc1 ZINC000054526690 526622443 /nfs/dbraw/zinc/62/24/43/526622443.db2.gz GZUGAEZLUFMTCI-CYBMUJFWSA-N 1 0 256.353 2.342 10 0 CEAERO Cc1nc(C)c([C@H](C)NC(=O)CCC(C)(C)[NH3+])s1 ZINC000070088021 526751906 /nfs/dbraw/zinc/75/19/06/526751906.db2.gz VMJCAPJCBJJDRW-VIFPVBQESA-N 1 0 269.414 2.455 10 0 CEAERO Cc1nc(C)c([C@H](C)NCC[NH2+]CC2CC2)s1 ZINC000049538826 526752938 /nfs/dbraw/zinc/75/29/38/526752938.db2.gz UXZHSHCBIXNFQB-VIFPVBQESA-N 1 0 253.415 2.410 10 0 CEAERO NC(=[NH2+])c1ccc(Sc2nnc3ccccn32)cc1 ZINC000061406766 526824591 /nfs/dbraw/zinc/82/45/91/526824591.db2.gz AKHSKVDSPYQTRG-UHFFFAOYSA-N 1 0 269.333 2.165 10 0 CEAERO [NH2+]=C(Nc1ccccc1)N[C@@H](CO)Cc1ccccc1 ZINC000063221234 526828649 /nfs/dbraw/zinc/82/86/49/526828649.db2.gz HLWWETIGHARYCT-OAHLLOKOSA-N 1 0 269.348 2.226 10 0 CEAERO Cc1nc(CNC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c[nH]1 ZINC000054822435 526887482 /nfs/dbraw/zinc/88/74/82/526887482.db2.gz AAMVFKHRCWEBCH-SWLSCSKDSA-N 1 0 264.417 2.318 10 0 CEAERO Cc1ncc(C[NH2+][C@@H](Cn2ccnc2)C(C)(C)C)[nH]1 ZINC000054822217 526891105 /nfs/dbraw/zinc/89/11/05/526891105.db2.gz DNGDORMZBNEXAI-ZDUSSCGKSA-N 1 0 261.373 2.119 10 0 CEAERO Cc1ncc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)[nH]1 ZINC000054821923 526893040 /nfs/dbraw/zinc/89/30/40/526893040.db2.gz FXFPWNMXBYSELK-OAHLLOKOSA-N 1 0 270.380 2.082 10 0 CEAERO Clc1cc(CN2CCC[C@@H]2[C@@H]2CCC[NH2+]2)ccn1 ZINC000052709700 526926535 /nfs/dbraw/zinc/92/65/35/526926535.db2.gz YIIMMIDHXZJGMB-QWHCGFSZSA-N 1 0 265.788 2.451 10 0 CEAERO Cc1nc(Cn2ccnc2C[NH2+]C(C)C)cs1 ZINC000051005530 526942615 /nfs/dbraw/zinc/94/26/15/526942615.db2.gz YLQSQWKMXNVKMV-UHFFFAOYSA-N 1 0 250.371 2.194 10 0 CEAERO Cc1nc(N(C)[C@H]2CCSC2)sc1[C@@H](C)[NH3+] ZINC000054895325 526951494 /nfs/dbraw/zinc/95/14/94/526951494.db2.gz XCIRGHVDPFJUNW-APPZFPTMSA-N 1 0 257.428 2.413 10 0 CEAERO Cc1nc(N(C)[C@@H]2CCSC2)sc1[C@@H](C)[NH3+] ZINC000054895322 526952051 /nfs/dbraw/zinc/95/20/51/526952051.db2.gz XCIRGHVDPFJUNW-VXNVDRBHSA-N 1 0 257.428 2.413 10 0 CEAERO NC(=O)[C@@H]([NH2+]C1CCCC1)c1ccc2ncccc2c1 ZINC000069503140 526956953 /nfs/dbraw/zinc/95/69/53/526956953.db2.gz VLDNGMOFGHVZIS-HNNXBMFYSA-N 1 0 269.348 2.293 10 0 CEAERO NC(=O)[C@](COC1CCCCCC1)([NH2+]C1CC1)C1CC1 ZINC000069194448 527017029 /nfs/dbraw/zinc/01/70/29/527017029.db2.gz XCPCMLRKNAPPJQ-MRXNPFEDSA-N 1 0 280.412 2.112 10 0 CEAERO [NH3+]CC1(C(=O)NCc2ccc(F)cc2F)CCCCC1 ZINC000051017660 527161812 /nfs/dbraw/zinc/16/18/12/527161812.db2.gz KKLQGAVKPFCDLV-UHFFFAOYSA-N 1 0 282.334 2.490 10 0 CEAERO [NH3+]CCN(C(=O)CC[C@H]1CCCCO1)C1CCCCC1 ZINC000069405555 527183968 /nfs/dbraw/zinc/18/39/68/527183968.db2.gz IOENLJJOBZPXNS-OAHLLOKOSA-N 1 0 282.428 2.456 10 0 CEAERO [NH3+]CCN(C(=O)[C@H]1CCCc2ccccc21)C1CC1 ZINC000054668354 527185282 /nfs/dbraw/zinc/18/52/82/527185282.db2.gz ZPODXSHSAQXMRJ-HNNXBMFYSA-N 1 0 258.365 2.056 10 0 CEAERO [NH3+]CCS(=O)(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000051040497 527190679 /nfs/dbraw/zinc/19/06/79/527190679.db2.gz KFTAOTYVOTZPCI-UHFFFAOYSA-N 1 0 276.361 2.054 10 0 CEAERO [NH3+]CC[C@@H]1CCC[C@@H](C(=O)NCCC(F)(F)F)C1 ZINC000063103100 527192910 /nfs/dbraw/zinc/19/29/10/527192910.db2.gz ZUOXDLVTPSVXRR-VHSXEESVSA-N 1 0 266.307 2.210 10 0 CEAERO [NH3+]CCc1ccnc(Cc2cccc(Br)c2)n1 ZINC000054833617 527197378 /nfs/dbraw/zinc/19/73/78/527197378.db2.gz DAFBNBPZRDMNSA-UHFFFAOYSA-N 1 0 292.180 2.331 10 0 CEAERO [NH3+]C[C@@H](C(=O)Nc1cccnc1Cl)c1ccccc1 ZINC000061611699 527202303 /nfs/dbraw/zinc/20/23/03/527202303.db2.gz SVMMTFATHOQCEE-LLVKDONJSA-N 1 0 275.739 2.416 10 0 CEAERO [NH3+]C[C@@H](Oc1cc(F)cc(F)c1)c1ccccn1 ZINC000054932247 527206211 /nfs/dbraw/zinc/20/62/11/527206211.db2.gz PNTVOHYECTVYBO-CYBMUJFWSA-N 1 0 250.248 2.439 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1Nc1cncc(Br)c1 ZINC000261529655 527216415 /nfs/dbraw/zinc/21/64/15/527216415.db2.gz BGTFBUBAAGFNLV-GZMMTYOYSA-N 1 0 270.174 2.383 10 0 CEAERO [NH3+]C[C@@H]1C[C@H]1c1cc2c(c(Br)c1)OCO2 ZINC000054586974 527221200 /nfs/dbraw/zinc/22/12/00/527221200.db2.gz JDFXGJZAPDDHHT-YUMQZZPRSA-N 1 0 270.126 2.240 10 0 CEAERO [NH3+]C[C@@]1(Cc2ccc(Br)s2)CCOC1 ZINC000054637586 527222608 /nfs/dbraw/zinc/22/26/08/527222608.db2.gz LRTRUOQZKAGAJU-JTQLQIEISA-N 1 0 276.199 2.419 10 0 CEAERO [NH3+]C[C@H](C(=O)Nc1ccc(Cl)cn1)c1ccccc1 ZINC000061611068 527223433 /nfs/dbraw/zinc/22/34/33/527223433.db2.gz DMIZOQBSCCMELF-LBPRGKRZSA-N 1 0 275.739 2.416 10 0 CEAERO [NH3+]C[C@H](C(=O)NCCc1ccccc1)c1ccccc1 ZINC000061610810 527224345 /nfs/dbraw/zinc/22/43/45/527224345.db2.gz OPSIBMDZKYSKNM-INIZCTEOSA-N 1 0 268.360 2.088 10 0 CEAERO [NH3+]C[C@H](Oc1cccc(F)c1F)c1ccccn1 ZINC000062612104 527228871 /nfs/dbraw/zinc/22/88/71/527228871.db2.gz MHSIHYOUUUJXGM-LBPRGKRZSA-N 1 0 250.248 2.439 10 0 CEAERO [NH3+]Cc1cc(Br)ccc1OC1CCOCC1 ZINC000068955207 527245300 /nfs/dbraw/zinc/24/53/00/527245300.db2.gz ZLYFIIXLRYYFPM-UHFFFAOYSA-N 1 0 286.169 2.466 10 0 CEAERO [NH3+]Cc1cccc(C(=O)NCc2ccc(F)cc2F)c1 ZINC000051016544 527259321 /nfs/dbraw/zinc/25/93/21/527259321.db2.gz YMPNGOORKYFUMA-UHFFFAOYSA-N 1 0 276.286 2.354 10 0 CEAERO [NH3+]Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000054791101 527260297 /nfs/dbraw/zinc/26/02/97/527260297.db2.gz HJAFUUJCRJBDET-UHFFFAOYSA-N 1 0 264.126 2.365 10 0 CEAERO [NH3+]Cc1ccoc1CN1CCN(c2ccccc2)CC1 ZINC000052417312 527261805 /nfs/dbraw/zinc/26/18/05/527261805.db2.gz PMPYEUWXNGYHKC-UHFFFAOYSA-N 1 0 271.364 2.061 10 0 CEAERO [NH3+]Cc1coc(CN2CCN(c3ccccc3F)CC2)c1 ZINC000052374729 527263672 /nfs/dbraw/zinc/26/36/72/527263672.db2.gz AVGBJMWUOQQBJI-UHFFFAOYSA-N 1 0 289.354 2.200 10 0 CEAERO NNc1cc(C(=O)Nc2cccc3cnccc32)cc[nH+]1 ZINC000051091100 527272597 /nfs/dbraw/zinc/27/25/97/527272597.db2.gz BVHNSMHSMNYGMS-UHFFFAOYSA-N 1 0 279.303 2.168 10 0 CEAERO NNc1cc(Cn2cc(-c3ccccc3)cn2)cc[nH+]1 ZINC000054961977 527275104 /nfs/dbraw/zinc/27/51/04/527275104.db2.gz JLMWAQHBCIOUSX-UHFFFAOYSA-N 1 0 265.320 2.279 10 0 CEAERO [NH3+][C@@H](C(=O)NCc1ccc(F)cc1F)c1ccccc1 ZINC000051017802 527327809 /nfs/dbraw/zinc/32/78/09/527327809.db2.gz ULQSBQLRYQBEEH-CQSZACIVSA-N 1 0 276.286 2.281 10 0 CEAERO [NH3+][C@@H](COC1CCC1)c1ccc2c(c1)OCCCO2 ZINC000050520120 527334972 /nfs/dbraw/zinc/33/49/72/527334972.db2.gz JALANWBSVZRCOJ-ZDUSSCGKSA-N 1 0 263.337 2.417 10 0 CEAERO [NH3+][C@@H](c1cnccn1)c1ccccc1Br ZINC000069049241 527339385 /nfs/dbraw/zinc/33/93/85/527339385.db2.gz BFMDXJFKVYKLIW-LLVKDONJSA-N 1 0 264.126 2.287 10 0 CEAERO [NH3+][C@@H]1CCC[C@H](C(=O)OCc2ccccc2F)C1 ZINC000069280608 527356897 /nfs/dbraw/zinc/35/68/97/527356897.db2.gz DBQYXEGKXPZHRL-CMPLNLGQSA-N 1 0 251.301 2.386 10 0 CEAERO [NH3+][C@H](Cc1ccc(O)cc1)c1nc(-c2cccs2)n[nH]1 ZINC000054700173 527388780 /nfs/dbraw/zinc/38/87/80/527388780.db2.gz DUHLXTQSOUMYGS-LLVKDONJSA-N 1 0 286.360 2.481 10 0 CEAERO [NH3+][C@H](c1ccc2c(c1)CC(=O)N2)c1ccc2c(c1)CCO2 ZINC000050892074 527391134 /nfs/dbraw/zinc/39/11/34/527391134.db2.gz HRLVKFCJRIOSGF-QGZVFWFLSA-N 1 0 280.327 2.164 10 0 CEAERO [NH3+][C@H](Cn1ncc2ccccc21)c1ccc2c(c1)OCO2 ZINC000050525531 527391493 /nfs/dbraw/zinc/39/14/93/527391493.db2.gz MAZXIBFDJBJMTO-CYBMUJFWSA-N 1 0 281.315 2.465 10 0 CEAERO [NH3+][C@H](c1cccc(Br)c1)c1cnccn1 ZINC000069049173 527391978 /nfs/dbraw/zinc/39/19/78/527391978.db2.gz AJFDVOQMBUKQPS-LLVKDONJSA-N 1 0 264.126 2.287 10 0 CEAERO [NH3+][C@H](c1cncnc1)C1(c2ccccc2)CCOCC1 ZINC000062783603 527392852 /nfs/dbraw/zinc/39/28/52/527392852.db2.gz OKABKHVYYSIOON-OAHLLOKOSA-N 1 0 269.348 2.225 10 0 CEAERO Cc1nccn1CCCC[N@@H+]1CCS[C@@H](C)C1 ZINC000161646811 527398346 /nfs/dbraw/zinc/39/83/46/527398346.db2.gz LSTGTYOLTSRKTN-LBPRGKRZSA-N 1 0 253.415 2.409 10 0 CEAERO O=C(N1CCC[C@@H]1[C@H]1CCC[NH2+]1)C1(c2ccccc2)CC1 ZINC000061618377 527440320 /nfs/dbraw/zinc/44/03/20/527440320.db2.gz VZRQEEIVZAJCIV-HZPDHXFCSA-N 1 0 284.403 2.461 10 0 CEAERO Nc1cc(Br)ccc1SC1C[NH2+]C1 ZINC000054931833 527441991 /nfs/dbraw/zinc/44/19/91/527441991.db2.gz YZGFWGPVQMWLKN-UHFFFAOYSA-N 1 0 259.172 2.095 10 0 CEAERO Cc1ncn(C[C@H]2CC[C@H](C[NH2+]CC(C)C)O2)c1C ZINC000052593732 527463114 /nfs/dbraw/zinc/46/31/14/527463114.db2.gz JANYMAROEHFQSI-HUUCEWRRSA-N 1 0 265.401 2.293 10 0 CEAERO O=c1ccc(Br)cn1CCC[C@H]1CCC[NH2+]1 ZINC000052764905 527484929 /nfs/dbraw/zinc/48/49/29/527484929.db2.gz OARISCGLNQOCJF-LLVKDONJSA-N 1 0 285.185 2.143 10 0 CEAERO Nc1ccccc1CC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000052918684 527526301 /nfs/dbraw/zinc/52/63/01/527526301.db2.gz BVJOWBJCGHYEND-JKSUJKDBSA-N 1 0 260.381 2.455 10 0 CEAERO Nc1ccnc(O[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000061702190 527534946 /nfs/dbraw/zinc/53/49/46/527534946.db2.gz DCIVPDYUUSQIDX-HNNXBMFYSA-N 1 0 269.348 2.317 10 0 CEAERO OCCC[C@@H]1CCC[N@@H+]1Cc1nc2ccccc2[nH]1 ZINC000052763066 527544419 /nfs/dbraw/zinc/54/44/19/527544419.db2.gz VSZSMAMZCVCLAA-LBPRGKRZSA-N 1 0 259.353 2.300 10 0 CEAERO OCCn1cc(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)cn1 ZINC000068691182 527576701 /nfs/dbraw/zinc/57/67/01/527576701.db2.gz BZYJDYIPXDRHTM-NWDGAFQWSA-N 1 0 291.317 2.086 10 0 CEAERO FC(F)(F)CN1CCC[NH2+][C@@H](Cc2ccccc2)C1 ZINC000062666223 527667455 /nfs/dbraw/zinc/66/74/55/527667455.db2.gz MFACMIHUORJCCC-ZDUSSCGKSA-N 1 0 272.314 2.455 10 0 CEAERO Cc1nn(C)c(N2CCOC(C)(C)C2)c1C[NH2+]C(C)(C)C ZINC000062736252 527675662 /nfs/dbraw/zinc/67/56/62/527675662.db2.gz NLUKXTAGNHHZMQ-UHFFFAOYSA-N 1 0 294.443 2.232 10 0 CEAERO FC(F)(F)[C@@H]1CCCC[C@H]1[NH2+]CCCN1CCOCC1 ZINC000069389088 527676397 /nfs/dbraw/zinc/67/63/97/527676397.db2.gz RRFBEQPIVRGYHW-CHWSQXEVSA-N 1 0 294.361 2.419 10 0 CEAERO Cc1nn(C)c(N2CCSCC2)c1C[NH2+]CC(C)C ZINC000062734939 527677043 /nfs/dbraw/zinc/67/70/43/527677043.db2.gz LSTRVRVQMVGZGE-UHFFFAOYSA-N 1 0 282.457 2.027 10 0 CEAERO FC(F)Oc1ccc(-c2cc(N3CC[NH2+]CC3)n[nH]2)cc1 ZINC000062669978 527695584 /nfs/dbraw/zinc/69/55/84/527695584.db2.gz WKMUOINHZLEDJZ-UHFFFAOYSA-N 1 0 294.305 2.088 10 0 CEAERO CCN1CC[C@@H]([NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000414331593 527799076 /nfs/dbraw/zinc/79/90/76/527799076.db2.gz DEXCLHZOQNNCBL-KLAILNCOSA-N 1 0 274.408 2.418 10 0 CEAERO CC(C)n1nnnc1C[N@@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000173892111 528701087 /nfs/dbraw/zinc/70/10/87/528701087.db2.gz NRVLGCFKJWASSB-UPJWGTAASA-N 1 0 263.389 2.407 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CCc1scnc1C ZINC000175339396 529069794 /nfs/dbraw/zinc/06/97/94/529069794.db2.gz IVCCGXSMTHNUEF-CYBMUJFWSA-N 1 0 267.442 2.410 10 0 CEAERO CCSCC[C@H](C)NC(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000174237058 529194278 /nfs/dbraw/zinc/19/42/78/529194278.db2.gz QDACUQPYAZPDMT-STQMWFEESA-N 1 0 287.473 2.302 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)N1CCCc2cc(OC)ccc21 ZINC000087532041 535341758 /nfs/dbraw/zinc/34/17/58/535341758.db2.gz BUVNYRYOVNNCCY-ZDUSSCGKSA-N 1 0 276.380 2.349 10 0 CEAERO CC[NH2+][C@H]1CCN(Cc2cnn(C)c2)c2ccccc21 ZINC000071377862 535516150 /nfs/dbraw/zinc/51/61/50/535516150.db2.gz ANZYHISNDODCBP-HNNXBMFYSA-N 1 0 270.380 2.481 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(c2nc(Cl)ncc2F)CC1 ZINC000091655622 535566525 /nfs/dbraw/zinc/56/65/25/535566525.db2.gz OORUHNSCPRKCFK-SECBINFHSA-N 1 0 272.755 2.190 10 0 CEAERO C[NH2+][C@H](C)c1cc(F)c(C)cc1N1CCC[C@H](C(N)=O)C1 ZINC000094765248 536406408 /nfs/dbraw/zinc/40/64/08/536406408.db2.gz VLQAVAIPSBNXHF-NEPJUHHUSA-N 1 0 293.386 2.116 10 0 CEAERO COC(=O)[C@@H](C)[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000093036271 536443122 /nfs/dbraw/zinc/44/31/22/536443122.db2.gz LDLVIANOGQFRGL-KBPBESRZSA-N 1 0 276.380 2.006 10 0 CEAERO C[NH2+]Cc1ccc(N2C[C@H](C)S[C@@H](C)C2)nc1 ZINC000070385973 536469999 /nfs/dbraw/zinc/46/99/99/536469999.db2.gz NFCFFIAPWQYYOF-QWRGUYRKSA-N 1 0 251.399 2.131 10 0 CEAERO COC(=O)c1ccc(N2CCCC[C@@H]2CC[NH3+])c(F)c1F ZINC000094272149 536732668 /nfs/dbraw/zinc/73/26/68/536732668.db2.gz AIGMIINNPZVXRY-SNVBAGLBSA-N 1 0 298.333 2.459 10 0 CEAERO COc1cccc2c1N(C(=O)[C@@H]1CC[C@H]([NH3+])C1)CCC2 ZINC000091545074 536958465 /nfs/dbraw/zinc/95/84/65/536958465.db2.gz JWXNLJBKDZLZQU-OLZOCXBDSA-N 1 0 274.364 2.102 10 0 CEAERO COc1ccc([C@]23CC[N@H+](C)[C@H]2C[C@H](O)CC3)cc1OC ZINC000004097962 560195092 /nfs/dbraw/zinc/19/50/92/560195092.db2.gz KPMLOZVRLWHOBN-COXVUDFISA-N 1 0 291.391 2.191 10 0 biogenic,in-vitro CEAERO CC1(C)CC2(CC(C)(C)[NH2+]1)NC[C@@H](C1CC1)CO2 ZINC000757147301 574510480 /nfs/dbraw/zinc/51/04/80/574510480.db2.gz LLXVRVAQJYSCRC-GFCCVEGCSA-N 1 0 252.402 2.269 10 0 CEAERO FC1(F)CCC2(CC1)[NH2+]CC1(CCOCC1)CO2 ZINC000757148740 574510584 /nfs/dbraw/zinc/51/05/84/574510584.db2.gz VMBRBCNYQFMBNL-UHFFFAOYSA-N 1 0 261.312 2.309 10 0 CEAERO Cc1nn(C)c2sc([C@@H]3CC[C@H]([NH3+])[C@H](C)N3)cc12 ZINC000757216558 574513344 /nfs/dbraw/zinc/51/33/44/574513344.db2.gz QIASVOUDHOVFTF-LSJOCFKGSA-N 1 0 264.398 2.084 10 0 CEAERO CC(C)(C)OC(=O)CCc1nc(C2([NH3+])CCCCC2)no1 ZINC000757183956 574511610 /nfs/dbraw/zinc/51/16/10/574511610.db2.gz UGMXCYWEVOLWMD-UHFFFAOYSA-N 1 0 295.383 2.462 10 0 CEAERO Cc1nc([C@H](C)NC(=O)C[C@@H]2CCC[C@H]2[NH3+])cs1 ZINC000261763162 574517099 /nfs/dbraw/zinc/51/70/99/574517099.db2.gz NSMQIBWDLFILAN-INTQDDNPSA-N 1 0 267.398 2.146 10 0 CEAERO OCCN1CCC[C@@H]([NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000384750889 574842290 /nfs/dbraw/zinc/84/22/90/574842290.db2.gz SCRHNVSFEKKKOR-CQSZACIVSA-N 1 0 286.778 2.025 10 0 CEAERO C[C@H]1C[C@H](C)CC([NH3+])(CNC(=O)NC(C)(C)C)C1 ZINC000725255361 567915132 /nfs/dbraw/zinc/91/51/32/567915132.db2.gz ZWDQXRNMRNDSCA-QWRGUYRKSA-N 1 0 255.406 2.238 10 0 CEAERO CC[C@@](C)(C[NH3+])[C@@H](O)c1cnn(Cc2ccccc2)c1 ZINC000394456232 570282223 /nfs/dbraw/zinc/28/22/23/570282223.db2.gz RICSRCDEILZRKK-HOTGVXAUSA-N 1 0 273.380 2.340 10 0 CEAERO CN(C(=O)/C=C\c1cccs1)[C@H]1CCC[NH2+]CC1 ZINC000310642807 625758968 /nfs/dbraw/zinc/75/89/68/625758968.db2.gz DMUWSQBNJKFTQN-DGMVEKRQSA-N 1 0 264.394 2.362 10 0 CEAERO CC(C)(CO)[NH2+]CCOc1cccc(Br)c1 ZINC000067486057 622576060 /nfs/dbraw/zinc/57/60/60/622576060.db2.gz HTDOZMABACGWMV-UHFFFAOYSA-N 1 0 288.185 2.188 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C)o2)[C@H]1OC ZINC000252789682 622581246 /nfs/dbraw/zinc/58/12/46/622581246.db2.gz RSLLYVQWNLQLSV-CDGCEXEKSA-N 1 0 253.342 2.431 10 0 CEAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@@H]1c1cccc(O)c1 ZINC000757183041 622956316 /nfs/dbraw/zinc/95/63/16/622956316.db2.gz DHPGQQCUFSYXAL-OLZOCXBDSA-N 1 0 263.337 2.037 10 0 CEAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(Cl)cn1 ZINC000757189892 622961439 /nfs/dbraw/zinc/96/14/39/622961439.db2.gz OGSRUBBKCKLEAZ-WDEREUQCSA-N 1 0 282.771 2.380 10 0 CEAERO Cc1ccc(C(=O)N2CC[C@H]([NH3+])[C@H]2C)c(Cl)c1 ZINC000261559667 623378463 /nfs/dbraw/zinc/37/84/63/623378463.db2.gz TXKHXQDLEMYMQQ-SKDRFNHKSA-N 1 0 252.745 2.210 10 0 CEAERO Cc1cnc([C@@H](C)NC(=O)CC[C@H]2CCC[NH2+]2)s1 ZINC000261561024 623378473 /nfs/dbraw/zinc/37/84/73/623378473.db2.gz FRGGLIRKZHHJQI-GHMZBOCLSA-N 1 0 267.398 2.161 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1Cc1ccc(F)c2cccnc12 ZINC000261581837 623383774 /nfs/dbraw/zinc/38/37/74/623383774.db2.gz GJIUTVQZLRKPKK-IINYFYTJSA-N 1 0 259.328 2.295 10 0 CEAERO CCC[N@H+](CC)CCNS(=O)(=O)/C=C\c1ccccc1 ZINC000255335378 623661286 /nfs/dbraw/zinc/66/12/86/623661286.db2.gz PRZPPIRVDIPMCE-UVTDQMKNSA-N 1 0 296.436 2.309 10 0 CEAERO Cc1ccccc1[C@@H](O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000093952598 623810651 /nfs/dbraw/zinc/81/06/51/623810651.db2.gz ZWBYBGLYZLYOIH-WBVHZDCISA-N 1 0 274.408 2.199 10 0 CEAERO [NH3+]C[C@H](Nc1nnc(C(F)(F)F)s1)C1CCCC1 ZINC000236243523 624140119 /nfs/dbraw/zinc/14/01/19/624140119.db2.gz FEGZFAYRVLCCHE-ZETCQYMHSA-N 1 0 280.319 2.486 10 0 CEAERO CC[NH2+]CC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000044286915 624456842 /nfs/dbraw/zinc/45/68/42/624456842.db2.gz OTFFNTGXFQJCEL-UWJCENJNSA-N 1 0 264.413 2.317 10 0 CEAERO CCCCOC(=O)CC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000051995713 624726082 /nfs/dbraw/zinc/72/60/82/624726082.db2.gz UUXVETAOASXTMF-KBPBESRZSA-N 1 0 269.385 2.363 10 0 CEAERO COc1cccc2cc(C[NH2+]CC3CC(O)C3)oc21 ZINC000091525202 624739889 /nfs/dbraw/zinc/73/98/89/624739889.db2.gz BSIINNSGTDYBIZ-UHFFFAOYSA-N 1 0 261.321 2.302 10 0 CEAERO O=C(C[NH2+]CCc1ccccc1)NCCc1ccccc1 ZINC000066212957 625799410 /nfs/dbraw/zinc/79/94/10/625799410.db2.gz VNHBXLSGIUZRKT-UHFFFAOYSA-N 1 0 282.387 2.178 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)c(F)c1 ZINC000236210980 625909606 /nfs/dbraw/zinc/90/96/06/625909606.db2.gz QGCDEJMFFFCDPW-SKDRFNHKSA-N 1 0 270.735 2.336 10 0 CEAERO C[C@@H](O)[C@@H](C)[NH2+][C@@H](C)c1ncc(Br)s1 ZINC000308625939 627891721 /nfs/dbraw/zinc/89/17/21/627891721.db2.gz WCVYSEASIBGIDZ-DSYKOEDSSA-N 1 0 279.203 2.326 10 0 CEAERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC1CC1 ZINC000309917603 628146007 /nfs/dbraw/zinc/14/60/07/628146007.db2.gz UUPRZHFECHMJNI-SWLSCSKDSA-N 1 0 258.365 2.033 10 0 CEAERO CC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCCN(CCO)C2)C1 ZINC000394587177 628147970 /nfs/dbraw/zinc/14/79/70/628147970.db2.gz YDHDUCPTCADRQQ-OWCLPIDISA-N 1 0 268.445 2.249 10 0 CEAERO CC(C)(C)OC(=O)NC(C)(C)CC[NH2+]CC(C)(C)O ZINC000309638154 628183734 /nfs/dbraw/zinc/18/37/34/628183734.db2.gz ARAHZCZNBPZGQB-UHFFFAOYSA-N 1 0 274.405 2.040 10 0 CEAERO COCC[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC000309964888 628194312 /nfs/dbraw/zinc/19/43/12/628194312.db2.gz CXVDAUMYCYHVDB-VXGBXAGGSA-N 1 0 274.405 2.256 10 0 CEAERO COc1ccc(C)cc1[C@H](C)NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000312460665 628275150 /nfs/dbraw/zinc/27/51/50/628275150.db2.gz YNMLLWXGDIHQOH-FZMZJTMJSA-N 1 0 276.380 2.308 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)C(F)(F)c2ncccc2C)C1 ZINC000194579021 628511257 /nfs/dbraw/zinc/51/12/57/628511257.db2.gz JBAHYCUUCXIEPL-LBPRGKRZSA-N 1 0 297.349 2.082 10 0 CEAERO C[C@H](C[NH3+])c1noc([C@@H]2CCOc3ccccc32)n1 ZINC000104203730 628763168 /nfs/dbraw/zinc/76/31/68/628763168.db2.gz QXQOLPWYSIKLRU-MWLCHTKSSA-N 1 0 259.309 2.046 10 0 CEAERO Cn1cc(CCC[NH2+][C@H]2COc3ccccc32)cn1 ZINC000314536442 628766762 /nfs/dbraw/zinc/76/67/62/628766762.db2.gz QDBKDJXXYFRCGF-AWEZNQCLSA-N 1 0 257.337 2.076 10 0 CEAERO CC[C@H]([NH2+]C1CCN(CCO)CC1)c1cccs1 ZINC000399025847 628770096 /nfs/dbraw/zinc/77/00/96/628770096.db2.gz HILQVQMIBLCWCW-ZDUSSCGKSA-N 1 0 268.426 2.246 10 0 CEAERO Cc1ccc([C@H](C)[NH2+]C2CCN(CCO)CC2)cc1 ZINC000399121459 628776739 /nfs/dbraw/zinc/77/67/39/628776739.db2.gz PEDQHHIWSCNEJP-AWEZNQCLSA-N 1 0 262.397 2.102 10 0 CEAERO CC(C)Oc1cncc(-c2cnn(CCC[NH3+])c2)c1 ZINC000311963909 628790392 /nfs/dbraw/zinc/79/03/92/628790392.db2.gz JVWMXEMFNNUZAT-UHFFFAOYSA-N 1 0 260.341 2.081 10 0 CEAERO C[C@H](C[NH3+])c1noc(Cc2cccc(F)c2F)n1 ZINC000094714195 628873250 /nfs/dbraw/zinc/87/32/50/628873250.db2.gz NQGTXRUYIOYQCJ-SSDOTTSWSA-N 1 0 253.252 2.001 10 0 CEAERO [NH3+]C[C@@H](Nc1nnc(C(F)F)s1)C1CCCC1 ZINC000261551247 628936272 /nfs/dbraw/zinc/93/62/72/628936272.db2.gz LXPDDIQHYRRFLV-SSDOTTSWSA-N 1 0 262.329 2.405 10 0 CEAERO Cc1ccnc(N2CC[C@@]3(CC[NH2+]C3)C2)c1Br ZINC000261556124 628937679 /nfs/dbraw/zinc/93/76/79/628937679.db2.gz QILITZWLXNNUMB-CYBMUJFWSA-N 1 0 296.212 2.342 10 0 CEAERO CCc1cc2c(ncnc2NC[C@H](C)[NH2+]C)s1 ZINC000261564663 628938970 /nfs/dbraw/zinc/93/89/70/628938970.db2.gz XVTHEYBEIGOJEF-QMMMGPOBSA-N 1 0 250.371 2.274 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)c1ccc(Br)c(C)c1 ZINC000261572847 628939571 /nfs/dbraw/zinc/93/95/71/628939571.db2.gz IKEQPGHQKLCDSH-VIFPVBQESA-N 1 0 285.185 2.095 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1Cc1cccc2c1OC(C)(C)C2 ZINC000261583895 628942308 /nfs/dbraw/zinc/94/23/08/628942308.db2.gz HKURSDREYSPYFN-RISCZKNCSA-N 1 0 260.381 2.322 10 0 CEAERO Cc1cnc([C@H](C)NC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)o1 ZINC000261600442 628943980 /nfs/dbraw/zinc/94/39/80/628943980.db2.gz WQHCSIBKLWNLSE-OBJOEFQTSA-N 1 0 287.363 2.496 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1ccccc1C(F)(F)F ZINC000261614889 628948820 /nfs/dbraw/zinc/94/88/20/628948820.db2.gz TVSDMBRCELMUQN-GZMMTYOYSA-N 1 0 272.270 2.267 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ncc(C(F)(F)F)s3)C[C@H]12 ZINC000261947713 629371400 /nfs/dbraw/zinc/37/14/00/629371400.db2.gz NMVLKQVGSWBFOJ-HRDYMLBCSA-N 1 0 291.342 2.331 10 0 CEAERO CC(=O)[C@@H]1CCCN(CC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000319864710 629408870 /nfs/dbraw/zinc/40/88/70/629408870.db2.gz APKFPULRSDNBJQ-IIAWOOMASA-N 1 0 266.429 2.265 10 0 CEAERO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)n1ccnc1 ZINC000143348842 631071668 /nfs/dbraw/zinc/07/16/68/631071668.db2.gz IERIQJUXFUHKLN-UHFFFAOYSA-N 1 0 298.390 2.353 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@@]2(C)CCC[NH2+]2)s1 ZINC000079520373 631180090 /nfs/dbraw/zinc/18/00/90/631180090.db2.gz LBVGCQKBRKGSRY-GXFFZTMASA-N 1 0 252.383 2.376 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)C1 ZINC000263494097 631445922 /nfs/dbraw/zinc/44/59/22/631445922.db2.gz JGAYBKDRZDNQFL-XDYZINJXSA-N 1 0 282.428 2.338 10 0 CEAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(F)cc1 ZINC000757185057 631829866 /nfs/dbraw/zinc/82/98/66/631829866.db2.gz PXUGXPRANQWVEY-STQMWFEESA-N 1 0 265.328 2.470 10 0 CEAERO CCC[C@@H](C(=O)Nc1cnn([C@@H]2CCCCO2)c1)[NH+](C)C ZINC000912565840 638729447 /nfs/dbraw/zinc/72/94/47/638729447.db2.gz MERSFEPXLOTLGW-KBPBESRZSA-N 1 0 294.399 2.251 10 0 CEAERO CO[C@H](c1noc(C[C@H]([NH3+])CC(C)C)n1)C1CC1 ZINC000157209816 639461056 /nfs/dbraw/zinc/46/10/56/639461056.db2.gz AYRPHHCHORBFGY-PWSUYJOCSA-N 1 0 253.346 2.083 10 0 CEAERO C[C@@H](Nc1nc(C2CC2)ns1)[C@H]1CCC[NH2+]C1 ZINC000087642488 639697877 /nfs/dbraw/zinc/69/78/77/639697877.db2.gz JYUGRNALBCGTMO-SCZZXKLOSA-N 1 0 252.387 2.216 10 0 CEAERO CCCCC[C@H](C)NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000061954549 639730663 /nfs/dbraw/zinc/73/06/63/639730663.db2.gz HOZCNGMBINMVLF-GJZGRUSLSA-N 1 0 299.459 2.101 10 0 CEAERO Fc1cccc(Cc2nc(C[C@H]3CCC[NH2+]C3)no2)c1 ZINC000063084565 639823937 /nfs/dbraw/zinc/82/39/37/639823937.db2.gz NAQJSTJGULXANL-GFCCVEGCSA-N 1 0 275.327 2.342 10 0 CEAERO Cn1c(C(=O)N2CC[C@@H]([NH+](C)C)C2)ccc1-c1ccccc1 ZINC000173500634 639861335 /nfs/dbraw/zinc/86/13/35/639861335.db2.gz FSHBTENCVOTNAO-OAHLLOKOSA-N 1 0 297.402 2.468 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)Cc1ccc2ccccc2c1 ZINC000261800581 640134717 /nfs/dbraw/zinc/13/47/17/640134717.db2.gz RHOASKCLRKZTJO-MLGOLLRUSA-N 1 0 268.360 2.330 10 0 CEAERO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000313535455 640221326 /nfs/dbraw/zinc/22/13/26/640221326.db2.gz QGBWENJTIFGAMZ-PRQKTBFOSA-N 1 0 276.424 2.458 10 0 CEAERO C[C@H]1CN(C[C@@H](O)c2ccc(F)c(F)c2)CCS1 ZINC000246138614 640975340 /nfs/dbraw/zinc/97/53/40/640975340.db2.gz NIBKTTXWDKPHFB-TVQRCGJNSA-N 1 0 273.348 2.436 10 0 CEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1cc(F)ccc1C ZINC000233705394 641334891 /nfs/dbraw/zinc/33/48/91/641334891.db2.gz MPWVNINAYXAKEN-CHWSQXEVSA-N 1 0 251.301 2.000 10 0 CEAERO [NH3+]C1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000237800659 641385198 /nfs/dbraw/zinc/38/51/98/641385198.db2.gz UUEAWZIPADLDIS-IFWUJCSASA-N 1 0 294.345 2.454 10 0 CEAERO Cn1c(Cl)c(Cl)cc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170867197 641389504 /nfs/dbraw/zinc/38/95/04/641389504.db2.gz UZEVXXNFNASFFG-MRVPVSSYSA-N 1 0 290.194 2.108 10 0 CEAERO C[C@H](CNS(=O)(=O)/C=C/c1ccccc1)[N@H+](C)C1CC1 ZINC000069129552 641500289 /nfs/dbraw/zinc/50/02/89/641500289.db2.gz IFTFHTBSCYTJGN-OCHBPSSRSA-N 1 0 294.420 2.059 10 0 CEAERO C[NH2+][C@H](C)CNCc1ccc(Br)s1 ZINC000070600474 641686112 /nfs/dbraw/zinc/68/61/12/641686112.db2.gz LHJJAYOQTIKEHO-SSDOTTSWSA-N 1 0 263.204 2.208 10 0 CEAERO CCOc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCCS1(=O)=O ZINC000126664345 650855457 /nfs/dbraw/zinc/85/54/57/650855457.db2.gz WWXDRPDIMCUWGE-CHWSQXEVSA-N 1 0 297.420 2.313 10 0 CEAERO CC[C@](C)(O)C[N@H+](C)CCOc1ccccc1OC ZINC000123430702 648970699 /nfs/dbraw/zinc/97/06/99/648970699.db2.gz JTMLMXFCABATRA-HNNXBMFYSA-N 1 0 267.369 2.167 10 0 CEAERO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)n1ccnc1 ZINC000123450523 648990994 /nfs/dbraw/zinc/99/09/94/648990994.db2.gz FNVQSHZDNFRQDK-HNNXBMFYSA-N 1 0 284.363 2.278 10 0 CEAERO C[C@H]([NH3+])C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000019475019 649376153 /nfs/dbraw/zinc/37/61/53/649376153.db2.gz SOPGEVJJXMXDGC-NVHPZXLWSA-N 1 0 250.386 2.055 10 0 CEAERO CCN(CC)[C@@H](C)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000130501191 652270752 /nfs/dbraw/zinc/27/07/52/652270752.db2.gz ILHUPFBOHRZCCA-UONOGXRCSA-N 1 0 299.459 2.316 10 0 CEAERO CC(C)(C)OC(=O)NC1CC([NH2+]CC[C@H]2CCCO2)C1 ZINC000131736643 652458896 /nfs/dbraw/zinc/45/88/96/652458896.db2.gz MVWDHLQNVOQWMA-WXRRBKDZSA-N 1 0 284.400 2.201 10 0 CEAERO [NH3+]C1(C(=O)N2CCC3(CCCCC3)CC2)CCOCC1 ZINC000132252657 652508163 /nfs/dbraw/zinc/50/81/63/652508163.db2.gz GMERQTCUWACSDJ-UHFFFAOYSA-N 1 0 280.412 2.067 10 0 CEAERO C[C@H](C[C@H]1COCCN1)[NH2+][C@H](C)c1cccs1 ZINC000134133358 652777893 /nfs/dbraw/zinc/77/78/93/652777893.db2.gz DQMCXQPUTZIVAD-UTUOFQBUSA-N 1 0 254.399 2.166 10 0 CEAERO O=C(N1CC[C@@H]([NH+]2CCCCC2)C1)N1CCCCC1 ZINC000134464657 652843073 /nfs/dbraw/zinc/84/30/73/652843073.db2.gz JDANUERESZKNGB-CQSZACIVSA-N 1 0 265.401 2.153 10 0 CEAERO CC(C)(C)OC(=O)NC[C@@H]1CC[NH2+][C@H](C2CC2)C1 ZINC000215666240 652901220 /nfs/dbraw/zinc/90/12/20/652901220.db2.gz UVKDTAFGVZJXHH-PWSUYJOCSA-N 1 0 254.374 2.289 10 0 CEAERO C[C@@H]1C[C@@H](C[NH3+])CN1c1ncccc1C(F)(F)F ZINC000216205464 652969662 /nfs/dbraw/zinc/96/96/62/652969662.db2.gz ILOJZFGGUKVUCW-BDAKNGLRSA-N 1 0 259.275 2.274 10 0 CEAERO C[C@@H]1C[C@@H](C[NH3+])CN1c1ccc(C(F)(F)F)cn1 ZINC000216239105 652969927 /nfs/dbraw/zinc/96/99/27/652969927.db2.gz SGXRUCYQRCVXMP-BDAKNGLRSA-N 1 0 259.275 2.274 10 0 CEAERO COC(=O)Nc1ccc(NC(=O)[C@@]2(C)CCCC[NH2+]2)cc1 ZINC000136170858 653049301 /nfs/dbraw/zinc/04/93/01/653049301.db2.gz SKYWTJGVSMSMHX-OAHLLOKOSA-N 1 0 291.351 2.336 10 0 CEAERO CC[C@H]([C@@H]([NH3+])c1ccccc1)S(=O)(=O)C(C)C ZINC000081981593 177911588 /nfs/dbraw/zinc/91/15/88/177911588.db2.gz XMWRGVOYMDAKLX-OLZOCXBDSA-N 1 0 255.383 2.288 10 0 CEAERO CCn1cc(C[NH2+][C@@H]2CCC[C@H]([S@@](=O)CC)C2)cn1 ZINC000096455597 230377255 /nfs/dbraw/zinc/37/72/55/230377255.db2.gz KCUYJEJYCWRULK-BIENJYKASA-N 1 0 283.441 2.072 10 0 CEAERO C[C@H]1CC(F)(F)CCN1C(=O)C1CCC([NH3+])CC1 ZINC000638630867 370644674 /nfs/dbraw/zinc/64/46/74/370644674.db2.gz OQOOUCNOYROTJL-WHXUTIOJSA-N 1 0 260.328 2.150 10 0 CEAERO CCC[NH2+]Cc1sc(CS(C)(=O)=O)nc1C1CC1 ZINC000082436193 178013785 /nfs/dbraw/zinc/01/37/85/178013785.db2.gz FFMWPVAUOIKPID-UHFFFAOYSA-N 1 0 288.438 2.065 10 0 CEAERO CCN(CC)c1nc(COC)c(C[NH2+]C2CC2)s1 ZINC000082447097 178025975 /nfs/dbraw/zinc/02/59/75/178025975.db2.gz UJEUBLGFQNOJFW-UHFFFAOYSA-N 1 0 269.414 2.388 10 0 CEAERO COCCN1CC[N@H+](CCc2ccc(C)cc2)C[C@H]1C ZINC000124597132 187144785 /nfs/dbraw/zinc/14/47/85/187144785.db2.gz ZJJUKQVWRQAMQH-MRXNPFEDSA-N 1 0 276.424 2.190 10 0 CEAERO [NH3+][C@H](c1ccccc1Br)[C@@H]1CCOC1 ZINC000082457103 178034078 /nfs/dbraw/zinc/03/40/78/178034078.db2.gz PKWKCTFEVVKYSI-KCJUWKMLSA-N 1 0 256.143 2.485 10 0 CEAERO [NH3+][C@H](c1ccccc1Br)[C@H]1CCOC1 ZINC000082457105 178034279 /nfs/dbraw/zinc/03/42/79/178034279.db2.gz PKWKCTFEVVKYSI-KWQFWETISA-N 1 0 256.143 2.485 10 0 CEAERO [NH3+]Cc1cccc(I)c1OC1CC1 ZINC000095738062 185023641 /nfs/dbraw/zinc/02/36/41/185023641.db2.gz FBGAVXBWUADFSX-UHFFFAOYSA-N 1 0 289.116 2.291 10 0 CEAERO CN(CC[NH+](C)C)Cc1nc(Cl)ccc1Cl ZINC000082541403 178089140 /nfs/dbraw/zinc/08/91/40/178089140.db2.gz LNJJHEVISJYKOD-UHFFFAOYSA-N 1 0 262.184 2.382 10 0 CEAERO Cc1noc([C@@H](C)N2CC[NH+](C[C@@H]3CC=CCC3)CC2)n1 ZINC000121257279 365541877 /nfs/dbraw/zinc/54/18/77/365541877.db2.gz CGKWNEPXJBTQCL-UKRRQHHQSA-N 1 0 290.411 2.413 10 0 CEAERO C[NH2+]Cc1ccc(Br)cc1SCCO ZINC000082616210 178126401 /nfs/dbraw/zinc/12/64/01/178126401.db2.gz LCKGZDKQDROCJP-UHFFFAOYSA-N 1 0 276.199 2.253 10 0 CEAERO O=C(OCc1ccccc1)N1CCC[C@@H]2C[NH2+]C[C@H]21 ZINC000096034412 185068385 /nfs/dbraw/zinc/06/83/85/185068385.db2.gz CYLXTAHWMBAPHI-ZIAGYGMSSA-N 1 0 260.337 2.007 10 0 CEAERO c1cc2c(cc1CCNC1=[NH+]CCCS1)OCCO2 ZINC000034971977 361801190 /nfs/dbraw/zinc/80/11/90/361801190.db2.gz ATQMEVOQEMYGIZ-UHFFFAOYSA-N 1 0 278.377 2.083 10 0 CEAERO CN(c1ncccc1NCC1CC1)C1CC[NH2+]CC1 ZINC000034437083 361790795 /nfs/dbraw/zinc/79/07/95/361790795.db2.gz RCJGCMZLGQTQRP-UHFFFAOYSA-N 1 0 260.385 2.092 10 0 CEAERO CC[C@H]([NH3+])C[S@@](=O)c1ccccc1Br ZINC000082747340 178268861 /nfs/dbraw/zinc/26/88/61/178268861.db2.gz QQMHISREXVGKLY-RTHLEPHNSA-N 1 0 276.199 2.294 10 0 CEAERO Cc1cccc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3CC2CC2)n1 ZINC000096064735 185084191 /nfs/dbraw/zinc/08/41/91/185084191.db2.gz MIQRYHYCMMGRQI-IAGOWNOFSA-N 1 0 299.418 2.365 10 0 CEAERO C[C@H](C[C@H](C)[NH3+])S(=O)(=O)c1cccc(Cl)c1 ZINC000082798595 178302729 /nfs/dbraw/zinc/30/27/29/178302729.db2.gz MKMJWKLQGSDGNN-DTWKUNHWSA-N 1 0 261.774 2.240 10 0 CEAERO C[NH+](C)C[C@@H]1CN(C(=O)C[C@H]2CCCCC2(C)C)CCO1 ZINC000152082072 282123209 /nfs/dbraw/zinc/12/32/09/282123209.db2.gz UKYUGDAKOOBILI-HUUCEWRRSA-N 1 0 296.455 2.382 10 0 CEAERO C[C@H](C[NH3+])CS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000082789848 178295211 /nfs/dbraw/zinc/29/52/11/178295211.db2.gz GDUKFGJBPGIJAN-SSDOTTSWSA-N 1 0 282.192 2.362 10 0 CEAERO CC[C@](C)(O)C[NH+]1CCN(c2cc(F)ccc2F)CC1 ZINC000123640186 365640535 /nfs/dbraw/zinc/64/05/35/365640535.db2.gz IZVDLDMLROAHSS-HNNXBMFYSA-N 1 0 284.350 2.248 10 0 CEAERO [NH3+][C@H]1CCCc2c1cnn2-c1nc2ccccc2[nH]1 ZINC000082826905 178324448 /nfs/dbraw/zinc/32/44/48/178324448.db2.gz ITWZIQLEEACKJN-JTQLQIEISA-N 1 0 253.309 2.085 10 0 CEAERO C[C@@H](O)CC[NH2+]CCOc1ccc(Br)cc1 ZINC000082997040 178333120 /nfs/dbraw/zinc/33/31/20/178333120.db2.gz XROUCZWUBSPGOA-SNVBAGLBSA-N 1 0 288.185 2.188 10 0 CEAERO C[C@H](C[NH3+])[C@H](O)c1ccc(Br)cc1F ZINC000083021730 178334433 /nfs/dbraw/zinc/33/44/33/178334433.db2.gz OCXJPTDLDXNBCE-LDWIPMOCSA-N 1 0 262.122 2.216 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@@H]1N1CCc2ccccc2C1=O ZINC000096601833 185107784 /nfs/dbraw/zinc/10/77/84/185107784.db2.gz LRAMPTODEPFASQ-HIFRSBDPSA-N 1 0 258.365 2.202 10 0 CEAERO C[C@H](CNC(=O)c1c[nH]c2ccccc12)[NH+]1CCCC1 ZINC000096723647 185110370 /nfs/dbraw/zinc/11/03/70/185110370.db2.gz PPLMLQDYBSVSHL-GFCCVEGCSA-N 1 0 271.364 2.382 10 0 CEAERO CCC[C@H](O)C[N@H+](CCCOC)Cc1ccco1 ZINC000036096457 361827484 /nfs/dbraw/zinc/82/74/84/361827484.db2.gz YBMVEGQZBIYUJA-ZDUSSCGKSA-N 1 0 255.358 2.279 10 0 CEAERO O[C@@H](c1ccc(Br)s1)[C@H]1CCC[NH2+]1 ZINC000036173443 361834458 /nfs/dbraw/zinc/83/44/58/361834458.db2.gz UCRMLJGIDZLTCE-HZGVNTEJSA-N 1 0 262.172 2.296 10 0 CEAERO COc1cc(C(C)C)c(OC)cc1C(=O)CC[NH3+] ZINC000096889492 185123599 /nfs/dbraw/zinc/12/35/99/185123599.db2.gz JEBNYIYGFMBHSZ-UHFFFAOYSA-N 1 0 251.326 2.359 10 0 CEAERO CC(C)(C)OC(=O)N1CC[NH2+]CC[C@H]1C(F)(F)F ZINC000096898203 185125181 /nfs/dbraw/zinc/12/51/81/185125181.db2.gz PCVXHTLYWCBKCF-QMMMGPOBSA-N 1 0 268.279 2.148 10 0 CEAERO C[C@@H]([NH2+]CC(=O)Nc1c(F)cccc1F)[C@H]1CCCO1 ZINC000036823874 361860804 /nfs/dbraw/zinc/86/08/04/361860804.db2.gz CVXGIRHRUJWJGW-BXKDBHETSA-N 1 0 284.306 2.060 10 0 CEAERO C[C@@H]1C[C@]2(C[N@@H+]1C)C[C@@H](O)c1ccc(F)cc1O2 ZINC000097005302 185150477 /nfs/dbraw/zinc/15/04/77/185150477.db2.gz DPBKPPQLSFUTSC-GAJTVXKRSA-N 1 0 251.301 2.104 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000037799232 361941661 /nfs/dbraw/zinc/94/16/61/361941661.db2.gz VJHDGKORKUGXMR-CYBMUJFWSA-N 1 0 284.787 2.305 10 0 CEAERO CC[C@@H]1CN(Cc2sc(C)nc2C)CC[N@@H+]1C[C@@H](C)O ZINC000172791201 529399227 /nfs/dbraw/zinc/39/92/27/529399227.db2.gz HTTZCEJBZSYIHG-BXUZGUMPSA-N 1 0 297.468 2.037 10 0 CEAERO CN(C(=O)[C@H]1CCC[NH2+]C1)C1C2CC3CC(C2)CC1C3 ZINC000037809991 361948565 /nfs/dbraw/zinc/94/85/65/361948565.db2.gz HPPQBKKEZIAJCU-OUCUAENXSA-N 1 0 276.424 2.269 10 0 CEAERO COC(=O)c1ccc(N2CC[NH2+][C@@H](CC(C)C)C2)cc1 ZINC000039952544 361990794 /nfs/dbraw/zinc/99/07/94/361990794.db2.gz HGBMNKCBROFOTC-AWEZNQCLSA-N 1 0 276.380 2.298 10 0 CEAERO [NH3+][C@H]1C[C@]12CNc1cc(Cl)c(Br)cc12 ZINC000725247203 539192370 /nfs/dbraw/zinc/19/23/70/539192370.db2.gz JZKHPJWYGMQCFK-VHSXEESVSA-N 1 0 273.561 2.497 10 0 CEAERO OCCN(Cc1ccccc1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000725241647 539190211 /nfs/dbraw/zinc/19/02/11/539190211.db2.gz KOQAZGJRBWABER-SJORKVTESA-N 1 0 274.408 2.108 10 0 CEAERO CC(C)(C)C(=O)N1CC[C@H]([NH3+])[C@@H](C(F)(F)F)CC1 ZINC000725262554 539210710 /nfs/dbraw/zinc/21/07/10/539210710.db2.gz GBVKIIQEYICEBF-IUCAKERBSA-N 1 0 266.307 2.161 10 0 CEAERO CC(C)(C)C(=O)N1CC[C@@H]([NH3+])[C@@H](C(F)(F)F)CC1 ZINC000725262553 539210744 /nfs/dbraw/zinc/21/07/44/539210744.db2.gz GBVKIIQEYICEBF-DTWKUNHWSA-N 1 0 266.307 2.161 10 0 CEAERO CC(C)(C)OC(=O)C[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000725263647 539212098 /nfs/dbraw/zinc/21/20/98/539212098.db2.gz YIWGHNNFNITTGY-ZDUSSCGKSA-N 1 0 277.364 2.396 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(c2ccc(N)c(OC(F)F)c2)C1 ZINC000725265160 539213051 /nfs/dbraw/zinc/21/30/51/539213051.db2.gz KLDRUVUVVPTXGX-LLVKDONJSA-N 1 0 285.338 2.401 10 0 CEAERO CC(C)[C@@H]1C[C@H]2CC[C@H]([NH+]3CCOCC3)[C@@H](C1)C2=O ZINC000725268145 539214366 /nfs/dbraw/zinc/21/43/66/539214366.db2.gz BUZQEYQWPIFRQI-TUVASFSCSA-N 1 0 265.397 2.349 10 0 CEAERO CC(C)[C@@H]1C[NH2+]CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC000725271331 539215218 /nfs/dbraw/zinc/21/52/18/539215218.db2.gz CTVHNJODEDTDIM-ZDUSSCGKSA-N 1 0 298.427 2.401 10 0 CEAERO CCc1cc2c(ncnc2NCC(C)(C)[NH3+])s1 ZINC000096470218 529572083 /nfs/dbraw/zinc/57/20/83/529572083.db2.gz KHEWZMLBRVAANA-UHFFFAOYSA-N 1 0 250.371 2.403 10 0 CEAERO [NH3+]C1(CC(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000398161582 539261294 /nfs/dbraw/zinc/26/12/94/539261294.db2.gz KTSWQZAXUMYDLH-ZDUSSCGKSA-N 1 0 294.782 2.121 10 0 CEAERO CC[N@@H+]1C[C@@H](C)[C@H](NCc2ncc(Cl)s2)C1 ZINC000309667620 539272895 /nfs/dbraw/zinc/27/28/95/539272895.db2.gz UVIMGSGGFJVPMT-RKDXNWHRSA-N 1 0 259.806 2.226 10 0 CEAERO C[C@@H]1C[NH2+]CCN1c1ccc(Br)cc1 ZINC000041325064 362029285 /nfs/dbraw/zinc/02/92/85/362029285.db2.gz KNTNOENPOFIUDH-SECBINFHSA-N 1 0 255.159 2.247 10 0 CEAERO [NH3+][C@H]1CCC[S@@](=O)c2ccc(Br)cc21 ZINC000040976807 362010840 /nfs/dbraw/zinc/01/08/40/362010840.db2.gz UOJJSRUFIXRPLF-XPTSAGLGSA-N 1 0 274.183 2.350 10 0 CEAERO C[C@@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@H]1CCCO1 ZINC000042325827 362083133 /nfs/dbraw/zinc/08/31/33/362083133.db2.gz JDRLDJHIVVRGFF-DGCLKSJQSA-N 1 0 297.443 2.162 10 0 CEAERO Cc1cc(Br)cnc1N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000127050875 365730889 /nfs/dbraw/zinc/73/08/89/365730889.db2.gz MFEACQWKCARNLW-VHSXEESVSA-N 1 0 284.201 2.326 10 0 CEAERO COC(=O)[C@@H](CC(C)C)[N@H+](C)C[C@H]1CCSC1 ZINC000449423951 282230366 /nfs/dbraw/zinc/23/03/66/282230366.db2.gz ORAWHAJABYXVKU-VXGBXAGGSA-N 1 0 259.415 2.259 10 0 CEAERO COc1ccc([C@@H]([NH2+]CCCn2ccnn2)C2CC2)cc1 ZINC000126532916 187246847 /nfs/dbraw/zinc/24/68/47/187246847.db2.gz ZWVVODLYFJKVPZ-INIZCTEOSA-N 1 0 286.379 2.418 10 0 CEAERO CC(C)[C@@](CCC[NH+](C)C)(C(N)=O)c1ccccc1 ZINC000003635877 343352564 /nfs/dbraw/zinc/35/25/64/343352564.db2.gz VNEUUVINIIKERW-MRXNPFEDSA-N 1 0 262.397 2.408 10 0 CEAERO NC(N)=[NH+]OCCOc1ccc(-c2ccccc2)cc1 ZINC000033641331 343417704 /nfs/dbraw/zinc/41/77/04/343417704.db2.gz YTGBLAFZWUNZPK-UHFFFAOYSA-N 1 0 271.320 2.147 10 0 CEAERO c1ccc2c(c1)[nH]c1c2[C@H](CN2CCCC2)[NH2+]CC1 ZINC000034628822 343420909 /nfs/dbraw/zinc/42/09/09/343420909.db2.gz ZQKMKRYINDDSRI-HNNXBMFYSA-N 1 0 255.365 2.451 10 0 CEAERO Cc1ccc(OC[C@H](O)C[NH2+][C@H](CO)CC(C)C)c(C)c1 ZINC000040777094 343438374 /nfs/dbraw/zinc/43/83/74/343438374.db2.gz JRCXELCBFCULCU-JKSUJKDBSA-N 1 0 295.423 2.040 10 0 CEAERO Cc1ccc(OC[C@H](O)C[NH2+][C@@H](CO)CC(C)C)c(C)c1 ZINC000040777098 343438493 /nfs/dbraw/zinc/43/84/93/343438493.db2.gz JRCXELCBFCULCU-HZPDHXFCSA-N 1 0 295.423 2.040 10 0 CEAERO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)c1cc(F)ccc1F ZINC000037007650 343424868 /nfs/dbraw/zinc/42/48/68/343424868.db2.gz FDENTWSHIPLFMJ-UFBFGSQYSA-N 1 0 256.296 2.125 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 ZINC000037006028 343425092 /nfs/dbraw/zinc/42/50/92/343425092.db2.gz ZRRQLAHPNRWYPJ-PRHODGIISA-N 1 0 298.770 2.439 10 0 CEAERO O[C@@H]1CCC[C@H]([NH2+]Cc2cnn(-c3ccccc3)c2)C1 ZINC000037164976 343426185 /nfs/dbraw/zinc/42/61/85/343426185.db2.gz WWYBZWQPFFHQAC-GOEBONIOSA-N 1 0 271.364 2.265 10 0 CEAERO COc1ccc(C[NH2+][C@@H]2CCC[C@H](O)C2)c(OC)c1OC ZINC000037164391 343426199 /nfs/dbraw/zinc/42/61/99/343426199.db2.gz QLNVQJRXESGHGN-OLZOCXBDSA-N 1 0 295.379 2.106 10 0 CEAERO O[C@@H]1CCC[C@H]([NH2+]Cc2cnc3ccccc3n2)C1 ZINC000037321179 343426688 /nfs/dbraw/zinc/42/66/88/343426688.db2.gz QVMLZTRBKYDSCN-WCQYABFASA-N 1 0 257.337 2.023 10 0 CEAERO CCc1cc2c(ncnc2N(C)CCC[NH3+])s1 ZINC000037673609 343430124 /nfs/dbraw/zinc/43/01/24/343430124.db2.gz FDMFDNWHKDXJLY-UHFFFAOYSA-N 1 0 250.371 2.039 10 0 CEAERO Cc1cccc(OCCN(C)C(=O)C2CCC([NH3+])CC2)c1 ZINC000037816514 343431604 /nfs/dbraw/zinc/43/16/04/343431604.db2.gz XEMVQPOVHZMRDS-UHFFFAOYSA-N 1 0 290.407 2.350 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC[C@@H]3CCCC[C@@H]32)C1 ZINC000227883934 539323271 /nfs/dbraw/zinc/32/32/71/539323271.db2.gz YECYEVSEPRCYIL-DGAVXFQQSA-N 1 0 250.386 2.295 10 0 CEAERO CCc1nc(C[NH2+][C@@H]2CCCC[C@@H]2CO)cs1 ZINC000152332001 529740395 /nfs/dbraw/zinc/74/03/95/529740395.db2.gz RTGCSRMUIPOEEG-ZYHUDNBSSA-N 1 0 254.399 2.346 10 0 CEAERO CCS[C@@H]1CCC[C@@H]1NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000601977769 346947768 /nfs/dbraw/zinc/94/77/68/346947768.db2.gz SUYCJMPXRCMUGP-XPCVCDNBSA-N 1 0 282.453 2.167 10 0 CEAERO CCS[C@H]1CCC[C@H]1NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000601977768 346947869 /nfs/dbraw/zinc/94/78/69/346947869.db2.gz SUYCJMPXRCMUGP-XFMPKHEZSA-N 1 0 282.453 2.167 10 0 CEAERO CCS[C@H]1CCC[C@@H]1NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000601977766 346947906 /nfs/dbraw/zinc/94/79/06/346947906.db2.gz SUYCJMPXRCMUGP-ABHRYQDASA-N 1 0 282.453 2.167 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)NCCSc1ccccc1 ZINC000054308283 343587259 /nfs/dbraw/zinc/58/72/59/343587259.db2.gz NGQZEOOCLFJDDS-ZDUSSCGKSA-N 1 0 278.421 2.285 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)NCCc1cccc(Cl)c1 ZINC000054308777 343587458 /nfs/dbraw/zinc/58/74/58/343587458.db2.gz VAXKINOXZUDUOG-CYBMUJFWSA-N 1 0 280.799 2.388 10 0 CEAERO CCCn1ccc(C[NH2+][C@@H](C)CC[S@@](C)=O)c1 ZINC000128026519 187346718 /nfs/dbraw/zinc/34/67/18/187346718.db2.gz LMMHDESHDYZSNF-SJCJKPOMSA-N 1 0 256.415 2.145 10 0 CEAERO COC[C@H](O)C[N@@H+]1CCCC[C@@H]1c1ccc(C)o1 ZINC000127062300 187279178 /nfs/dbraw/zinc/27/91/78/187279178.db2.gz BNVPVMLOINQZHY-CHWSQXEVSA-N 1 0 253.342 2.122 10 0 CEAERO CCc1ccc([C@H]2CCCC[N@@H+]2C[C@@H](O)COC)o1 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[NH3+]C1(C(=O)Nc2cc(Cl)cc(Cl)c2)CCOCC1 ZINC000127704360 344331275 /nfs/dbraw/zinc/33/12/75/344331275.db2.gz SXXBCBXXDMIJQL-UHFFFAOYSA-N 1 0 289.162 2.440 10 0 CEAERO C[C@H]1CCC[C@@H](CCNC(=O)C(C)(C)N2CC[NH2+]CC2)C1 ZINC000129760157 344347001 /nfs/dbraw/zinc/34/70/01/344347001.db2.gz XZVXPUAMESWIJE-GJZGRUSLSA-N 1 0 295.471 2.003 10 0 CEAERO C[C@@H]([NH3+])Cc1ncc(Br)cc1Br ZINC000129892662 344347678 /nfs/dbraw/zinc/34/76/78/344347678.db2.gz VJLBGMBWWKERND-RXMQYKEDSA-N 1 0 293.990 2.496 10 0 CEAERO CCc1ccc(C[NH2+]C[C@@H]2CN(CC)CCO2)s1 ZINC000134476076 344374380 /nfs/dbraw/zinc/37/43/80/344374380.db2.gz OLFQYFLHVVANLY-GFCCVEGCSA-N 1 0 268.426 2.121 10 0 CEAERO C[C@@](C[NH3+])(c1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000134482941 344374885 /nfs/dbraw/zinc/37/48/85/344374885.db2.gz MXDKGSYSCRRQGS-QGZVFWFLSA-N 1 0 280.327 2.157 10 0 CEAERO C[C@]1(C(=O)NCCc2cccc3cccnc32)CCC[NH2+]1 ZINC000159327793 344454326 /nfs/dbraw/zinc/45/43/26/344454326.db2.gz QPIRTLRYUMDKOQ-QGZVFWFLSA-N 1 0 283.375 2.036 10 0 CEAERO C[C@H](C[NH3+])Oc1ccccc1I ZINC000160238219 344457753 /nfs/dbraw/zinc/45/77/53/344457753.db2.gz VGPZMHYGKZZWRR-SSDOTTSWSA-N 1 0 277.105 2.017 10 0 CEAERO CCSCC[C@H](C)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000160198893 344457775 /nfs/dbraw/zinc/45/77/75/344457775.db2.gz DRWBKQBDPZTQNC-NWDGAFQWSA-N 1 0 258.431 2.024 10 0 CEAERO C[C@@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)C1CCCCC1 ZINC000173912309 344497832 /nfs/dbraw/zinc/49/78/32/344497832.db2.gz LUHMYANSXIDTQA-TZMCWYRMSA-N 1 0 267.417 2.301 10 0 CEAERO CC(C)[C@@H]1CN(c2cnc3ccc(F)cc3n2)CC[NH2+]1 ZINC000217909229 344535819 /nfs/dbraw/zinc/53/58/19/344535819.db2.gz LEJRKMWSGKKXJF-AWEZNQCLSA-N 1 0 274.343 2.203 10 0 CEAERO Brc1ccc2ncn([C@H]3CC[NH2+]C3)c2c1 ZINC000218250221 344536281 /nfs/dbraw/zinc/53/62/81/344536281.db2.gz YRZHDDBRIDEXDC-VIFPVBQESA-N 1 0 266.142 2.333 10 0 CEAERO C[C@@H]([NH3+])[C@@H](O)c1cc(Br)ccc1Cl ZINC000218533186 344536879 /nfs/dbraw/zinc/53/68/79/344536879.db2.gz RGIPMGGWTVZYRV-MLUIRONXSA-N 1 0 264.550 2.483 10 0 CEAERO Oc1ccc([C@H]2NCC[NH2+][C@@H]2c2ccc(O)cc2)cc1 ZINC000222178648 344540684 /nfs/dbraw/zinc/54/06/84/344540684.db2.gz HLGPUULQSDIQOP-HZPDHXFCSA-N 1 0 270.332 2.073 10 0 CEAERO CCc1ccc(N[N+]2=C(C)N(C)[C@@H](NC)C=C2)cc1 ZINC000223583148 344543181 /nfs/dbraw/zinc/54/31/81/344543181.db2.gz HEWYJRCSDQIOPK-OAHLLOKOSA-N 1 0 259.377 2.011 10 0 CEAERO COc1cccc(F)c1C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000226455533 344550366 /nfs/dbraw/zinc/55/03/66/344550366.db2.gz LPUCILMFZPRXMQ-LLVKDONJSA-N 1 0 280.343 2.048 10 0 CEAERO CN(C(=O)c1ccc2[nH]ccc2c1)[C@H]1CCC[NH2+]CC1 ZINC000226457939 344550412 /nfs/dbraw/zinc/55/04/12/344550412.db2.gz KODVCOVLGHRKGS-AWEZNQCLSA-N 1 0 271.364 2.382 10 0 CEAERO [NH3+]C[C@@H]1c2ccccc2CCN1c1nc(C2CC2)ns1 ZINC000227725491 344556466 /nfs/dbraw/zinc/55/64/66/344556466.db2.gz XICDDYZKBHCXIT-CYBMUJFWSA-N 1 0 286.404 2.478 10 0 CEAERO [NH3+]C[C@H](O)c1cc(Br)c(Cl)s1 ZINC000227972303 344558146 /nfs/dbraw/zinc/55/81/46/344558146.db2.gz ZITMQOUUYWSRQR-BYPYZUCNSA-N 1 0 256.552 2.156 10 0 CEAERO [NH3+]Cc1cc(N2C(=O)c3ccccc3C2=O)ccc1F ZINC000051635281 362432755 /nfs/dbraw/zinc/43/27/55/362432755.db2.gz OURJQCSWHMJEFW-UHFFFAOYSA-N 1 0 270.263 2.085 10 0 CEAERO Brc1ccc(CO[C@H]2CCC[NH2+]C2)o1 ZINC000051787361 362438162 /nfs/dbraw/zinc/43/81/62/362438162.db2.gz IJMJBJDNLHYVPT-QMMMGPOBSA-N 1 0 260.131 2.311 10 0 CEAERO CCCCOC[C@H](O)C[NH2+][C@H]1CCC[C@@H](SC)C1 ZINC000233002655 344581167 /nfs/dbraw/zinc/58/11/67/344581167.db2.gz KGUMRWQOQDDHGV-BFHYXJOUSA-N 1 0 275.458 2.428 10 0 CEAERO CN[C@@H](C[NH3+])c1ccc(Br)c(Cl)c1 ZINC000234425457 344584889 /nfs/dbraw/zinc/58/48/89/344584889.db2.gz AJGJVXWOHUTHPP-VIFPVBQESA-N 1 0 263.566 2.322 10 0 CEAERO COC(=O)c1ccc(C[NH2+]CC[C@@H]2CCCO2)cc1F ZINC000234579687 344585732 /nfs/dbraw/zinc/58/57/32/344585732.db2.gz HSOUMLVYAXYVHK-LBPRGKRZSA-N 1 0 281.327 2.271 10 0 CEAERO CCN(C(=O)C[N@@H+]1CCC[C@H]1CCCO)c1ccccc1 ZINC000052762414 362474344 /nfs/dbraw/zinc/47/43/44/362474344.db2.gz FJCQAYFNACVJPW-HNNXBMFYSA-N 1 0 290.407 2.276 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)CCc2cc(F)ccc2F)C1 ZINC000053150507 362484517 /nfs/dbraw/zinc/48/45/17/362484517.db2.gz BHXQSGOFCHZSCU-CQSZACIVSA-N 1 0 296.361 2.498 10 0 CEAERO [NH3+]Cc1cnc(Br)c(OC(F)(F)F)c1 ZINC000238692058 344607650 /nfs/dbraw/zinc/60/76/50/344607650.db2.gz XDYZBDDXUFCTOK-UHFFFAOYSA-N 1 0 271.036 2.201 10 0 CEAERO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000260306301 344652507 /nfs/dbraw/zinc/65/25/07/344652507.db2.gz BIEPZFCAZKUWNM-VXGBXAGGSA-N 1 0 287.281 2.470 10 0 CEAERO CC[C@@H]1CCC[C@H](NC(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000251803980 344638080 /nfs/dbraw/zinc/63/80/80/344638080.db2.gz OGFPQMBHZFFEEU-MCIONIFRSA-N 1 0 252.402 2.461 10 0 CEAERO Cc1csc(NC(=O)[C@H]2CC[C@H](C[NH3+])CC2)n1 ZINC000252889205 344642344 /nfs/dbraw/zinc/64/23/44/344642344.db2.gz CQDCSWDBTLWSRG-MGCOHNPYSA-N 1 0 253.371 2.155 10 0 CEAERO CNc1nc2ccccc2nc1N[C@H]1CC[C@H]([NH3+])CC1 ZINC000257351795 344647629 /nfs/dbraw/zinc/64/76/29/344647629.db2.gz HEJYMGQWPIVZFT-XYPYZODXSA-N 1 0 271.368 2.353 10 0 CEAERO CC[NH2+]Cc1nc2c(cccc2Br)[nH]1 ZINC000306983063 344719328 /nfs/dbraw/zinc/71/93/28/344719328.db2.gz SLKGHMGNLFUGFB-UHFFFAOYSA-N 1 0 254.131 2.435 10 0 CEAERO c1ccc(COCCCNC2=[NH+]CCS2)cc1 ZINC000307027011 344719651 /nfs/dbraw/zinc/71/96/51/344719651.db2.gz ZETFQFWOKWJBLY-UHFFFAOYSA-N 1 0 250.367 2.286 10 0 CEAERO [NH3+][C@@H]1C[C@H]1c1cccc(I)c1 ZINC000307089455 344720111 /nfs/dbraw/zinc/72/01/11/344720111.db2.gz VEFCTWCDXVTTGZ-DTWKUNHWSA-N 1 0 259.090 2.106 10 0 CEAERO c1nsc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000307144846 344720635 /nfs/dbraw/zinc/72/06/35/344720635.db2.gz GFLPSSMUNUXKBZ-GFCCVEGCSA-N 1 0 260.366 2.225 10 0 CEAERO C[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@]12[NH2+]CCS2 ZINC000307172538 344720655 /nfs/dbraw/zinc/72/06/55/344720655.db2.gz NBBKJAHXCGYEGH-GXFFZTMASA-N 1 0 272.414 2.439 10 0 CEAERO C[C@@](O)(C[NH3+])c1c(Cl)cccc1Br ZINC000307268033 344721486 /nfs/dbraw/zinc/72/14/86/344721486.db2.gz JYPWNCDOTLKRJV-SECBINFHSA-N 1 0 264.550 2.269 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@@]2(C1)[NH2+]C(C)(C)CS2 ZINC000307349553 344721996 /nfs/dbraw/zinc/72/19/96/344721996.db2.gz SDSHQSDWFZTADY-CYBMUJFWSA-N 1 0 272.414 2.439 10 0 CEAERO CC(C)C[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000307785026 344724689 /nfs/dbraw/zinc/72/46/89/344724689.db2.gz ASEVFJSSNXMGKF-KBPBESRZSA-N 1 0 252.402 2.271 10 0 CEAERO Cc1cc(Br)cnc1NC/C=C\C[NH3+] ZINC000308391060 344727536 /nfs/dbraw/zinc/72/75/36/344727536.db2.gz LEOYXWHTARBTGO-IHWYPQMZSA-N 1 0 256.147 2.079 10 0 CEAERO CS[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COCc2ccco2)C1 ZINC000300673915 344701625 /nfs/dbraw/zinc/70/16/25/344701625.db2.gz QOJBDVFYZSDDIR-KCQAQPDRSA-N 1 0 299.436 2.421 10 0 CEAERO CC[C@H]([NH3+])[C@@H](O)c1cccc(I)c1 ZINC000306230097 344712631 /nfs/dbraw/zinc/71/26/31/344712631.db2.gz IYKHSGXCMZLIAT-UWVGGRQHSA-N 1 0 291.132 2.062 10 0 CEAERO C[C@@H]1C[C@H](N2CCNC2=O)CC[N@@H+]1Cc1ccccc1 ZINC000306595379 344715166 /nfs/dbraw/zinc/71/51/66/344715166.db2.gz KVEFTJDRGLOBEJ-UKRRQHHQSA-N 1 0 273.380 2.065 10 0 CEAERO O[C@@H](c1csc(Br)c1)[C@H]1CCC[NH2+]1 ZINC000306727023 344716885 /nfs/dbraw/zinc/71/68/85/344716885.db2.gz MHAHXBMSCVASBS-APPZFPTMSA-N 1 0 262.172 2.296 10 0 CEAERO CC(C)(C)[C@@H](O)C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000324601013 344754224 /nfs/dbraw/zinc/75/42/24/344754224.db2.gz IYRZAGKVZZEHBZ-STQMWFEESA-N 1 0 255.402 2.475 10 0 CEAERO CCc1noc(C)c1C[N@H+](C)C[C@@H]1CCc2nccn2C1 ZINC000328626023 344756577 /nfs/dbraw/zinc/75/65/77/344756577.db2.gz DSGPDUYSADTZNX-ZDUSSCGKSA-N 1 0 288.395 2.436 10 0 CEAERO COC(=O)c1csc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)c1 ZINC000602553012 347074156 /nfs/dbraw/zinc/07/41/56/347074156.db2.gz RKZGXVTUVJUOAR-GWCFXTLKSA-N 1 0 283.393 2.175 10 0 CEAERO CC[C@@H](CC[NH3+])CCC(=O)Nc1ccc(F)c(C(N)=O)c1 ZINC000083709263 178721678 /nfs/dbraw/zinc/72/16/78/178721678.db2.gz FUNAGLJIZSRXOV-SNVBAGLBSA-N 1 0 295.358 2.018 10 0 CEAERO CCCOc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)cc1 ZINC000392927753 344839709 /nfs/dbraw/zinc/83/97/09/344839709.db2.gz CXZRRRPIDTYNEX-IUODEOHRSA-N 1 0 276.380 2.232 10 0 CEAERO COC[C@@H](C)[NH2+]Cc1ccc(Br)cc1C#N ZINC000380526256 344822927 /nfs/dbraw/zinc/82/29/27/344822927.db2.gz BQHIEAMGQJPPCZ-SECBINFHSA-N 1 0 283.169 2.445 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@@H](C)[C@H]1CC2CCC1CC2 ZINC000381668324 344824875 /nfs/dbraw/zinc/82/48/75/344824875.db2.gz KTBMTCNXMMSQJD-MGYRSQIZSA-N 1 0 252.402 2.445 10 0 CEAERO CCOC(=O)CC[C@H](O)C[NH2+][C@@H](C)c1ccccc1C ZINC000385406057 344830304 /nfs/dbraw/zinc/83/03/04/344830304.db2.gz FHYDCTJMZLNSGN-KBPBESRZSA-N 1 0 279.380 2.350 10 0 CEAERO CN(Cc1ccccc1Br)CC1([NH3+])CC1 ZINC000083837014 178752397 /nfs/dbraw/zinc/75/23/97/178752397.db2.gz BNMAOIHBAZVHFN-UHFFFAOYSA-N 1 0 269.186 2.372 10 0 CEAERO OCCN1CCC([NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000399069055 344856942 /nfs/dbraw/zinc/85/69/42/344856942.db2.gz CYPZEQNZPXAAFX-KRWDZBQOSA-N 1 0 274.408 2.110 10 0 CEAERO CC[C@H]1CCC[C@H]([NH2+]C2CCN(CCO)CC2)C1 ZINC000399191816 344857052 /nfs/dbraw/zinc/85/70/52/344857052.db2.gz QEYLJEIHHZCBMA-ZFWWWQNUSA-N 1 0 254.418 2.002 10 0 CEAERO [NH3+]C[C@@H]1CCN(c2ccc(Br)c(F)c2)C1 ZINC000083826660 178750945 /nfs/dbraw/zinc/75/09/45/178750945.db2.gz IMQSDMHKGWVYFQ-QMMMGPOBSA-N 1 0 273.149 2.373 10 0 CEAERO C[C@@]1(C(=O)NC[C@H]2CC3CCC2CC3)CCCC[NH2+]1 ZINC000400130394 344860787 /nfs/dbraw/zinc/86/07/87/344860787.db2.gz URPTWMSWWCDTDV-MNSOJDNVSA-N 1 0 264.413 2.461 10 0 CEAERO CCC[C@](C[NH3+])(C[C@H](C)O)c1cccc(OC)c1 ZINC000584597096 344961700 /nfs/dbraw/zinc/96/17/00/344961700.db2.gz ZNSQIMFHMAAPQL-SWLSCSKDSA-N 1 0 251.370 2.463 10 0 CEAERO c1nn(-c2cc[nH+]c(N3CCOCC3)c2)c2ccccc12 ZINC000584617991 344966521 /nfs/dbraw/zinc/96/65/21/344966521.db2.gz ZTQPTYNZTVHBQW-UHFFFAOYSA-N 1 0 280.331 2.257 10 0 CEAERO COc1ccc([C@H](O)[C@@H](C)[NH+]2CCCC2)cc1OC ZINC000584621120 344966922 /nfs/dbraw/zinc/96/69/22/344966922.db2.gz YPVVPFCGHPFNTN-IAQYHMDHSA-N 1 0 265.353 2.222 10 0 CEAERO C[NH+](C)C[C@@H]1COc2ccccc2[C@]1(O)c1ccccc1 ZINC000584626319 344968225 /nfs/dbraw/zinc/96/82/25/344968225.db2.gz SLCBSKKXXYOQMP-QAPCUYQASA-N 1 0 283.371 2.493 10 0 CEAERO O[C@H](C[NH2+]C1CCCC1)[C@H]1CCc2ccccc2O1 ZINC000584626499 344968308 /nfs/dbraw/zinc/96/83/08/344968308.db2.gz OUWPAYZEXUXLSD-GDBMZVCRSA-N 1 0 261.365 2.273 10 0 CEAERO COCC/C=C/C[NH2+]CCOc1ccccc1OC ZINC000584627010 344968917 /nfs/dbraw/zinc/96/89/17/344968917.db2.gz BWYJJDCXEWKJCB-ZZXKWVIFSA-N 1 0 265.353 2.256 10 0 CEAERO O=C(N[n+]1ccccc1)c1ccccc1C(F)(F)F ZINC000584651378 344973581 /nfs/dbraw/zinc/97/35/81/344973581.db2.gz IRNBNKABZAKBLG-UHFFFAOYSA-O 1 0 267.230 2.377 10 0 CEAERO C[C@H]([NH3+])CN[C@H]1c2ccccc2-c2ccccc2N(C)C1=O ZINC000584655226 344974312 /nfs/dbraw/zinc/97/43/12/344974312.db2.gz AYRHIDQYWDLPFR-SJCJKPOMSA-N 1 0 295.386 2.308 10 0 CEAERO CN1C[C@H]([NH2+]Cc2nc3ccccc3s2)CCC1=O ZINC000084087291 178784579 /nfs/dbraw/zinc/78/45/79/178784579.db2.gz BWDSATPRWCPMON-SNVBAGLBSA-N 1 0 275.377 2.007 10 0 CEAERO CN1C[C@H](n2ccc3c2CC(C)(C)C[C@@H]3[NH3+])CCC1=O ZINC000084090946 178786168 /nfs/dbraw/zinc/78/61/68/178786168.db2.gz JPPWRNUKAGCNQO-YPMHNXCESA-N 1 0 275.396 2.254 10 0 CEAERO [NH3+]CCc1cc(-c2ccccc2Br)n[nH]1 ZINC000084122213 178797187 /nfs/dbraw/zinc/79/71/87/178797187.db2.gz ZAOQOHVGVDGXRF-UHFFFAOYSA-N 1 0 266.142 2.340 10 0 CEAERO C[C@@H]([NH3+])c1cccc(S[C@@H]2CCN(C)C2=O)c1 ZINC000084122433 178797314 /nfs/dbraw/zinc/79/73/14/178797314.db2.gz ZJQNLWRMYDFZNS-BXKDBHETSA-N 1 0 250.367 2.029 10 0 CEAERO Cc1ccnc(-c2noc(CC3([NH3+])CCCC3)n2)c1 ZINC000084145056 178801548 /nfs/dbraw/zinc/80/15/48/178801548.db2.gz LHYHFEIJWISNHD-UHFFFAOYSA-N 1 0 258.325 2.254 10 0 CEAERO C[NH2+]CCN(C)c1ncc(C(F)(F)F)cc1Cl ZINC000053663719 362497454 /nfs/dbraw/zinc/49/74/54/362497454.db2.gz IKSNFPRSTQDHBU-UHFFFAOYSA-N 1 0 267.682 2.409 10 0 CEAERO C[C@H]1[C@H](O)CCCN1Cc1nc(-c2ccsc2)no1 ZINC000295093495 199341214 /nfs/dbraw/zinc/34/12/14/199341214.db2.gz AGZFRUCWAYRKAX-GXSJLCMTSA-N 1 0 279.365 2.143 10 0 CEAERO C[NH2+][C@H](C)c1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000054053222 362507387 /nfs/dbraw/zinc/50/73/87/362507387.db2.gz QVLSMYODUOPGRH-MRVPVSSYSA-N 1 0 263.297 2.034 10 0 CEAERO C[NH2+][C@H](C)C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000054073369 362509083 /nfs/dbraw/zinc/50/90/83/362509083.db2.gz ANKSYFFSDFOTLK-MRVPVSSYSA-N 1 0 259.309 2.252 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)NCCc1cc(F)cc(F)c1 ZINC000054293004 362523262 /nfs/dbraw/zinc/52/32/62/362523262.db2.gz CFKLMENWDHIDES-LBPRGKRZSA-N 1 0 282.334 2.013 10 0 CEAERO CCN(Cc1cccs1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054307837 362526479 /nfs/dbraw/zinc/52/64/79/362526479.db2.gz ORUKFYPSBPHKPS-LBPRGKRZSA-N 1 0 266.410 2.486 10 0 CEAERO Cc1cc([C@@H]2CCCN2C(=O)C[C@H]2CCC[NH2+]C2)on1 ZINC000054308141 362526647 /nfs/dbraw/zinc/52/66/47/362526647.db2.gz HBBDCCWJQCBXLZ-OLZOCXBDSA-N 1 0 277.368 2.036 10 0 CEAERO CN(CCOc1ccc(F)cc1)C(=O)CC1([NH3+])CCCC1 ZINC000084170162 178813571 /nfs/dbraw/zinc/81/35/71/178813571.db2.gz VDWVRQAROGZGJR-UHFFFAOYSA-N 1 0 294.370 2.325 10 0 CEAERO CSc1ccc(CN(C)C(=O)CC(C)(C)[NH3+])cc1 ZINC000084169833 178813849 /nfs/dbraw/zinc/81/38/49/178813849.db2.gz LDYMGMWDBSPZPW-UHFFFAOYSA-N 1 0 266.410 2.494 10 0 CEAERO CC[C@H](C)S(=O)(=O)CCCOc1ccc(C[NH3+])cc1 ZINC000084270163 178836516 /nfs/dbraw/zinc/83/65/16/178836516.db2.gz PIWBOXGDASVSKT-LBPRGKRZSA-N 1 0 285.409 2.128 10 0 CEAERO C[NH2+][C@H]1CCC[C@@H]1Cc1c(Br)c(C)nn1C ZINC000084271903 178838072 /nfs/dbraw/zinc/83/80/72/178838072.db2.gz PSPOKPDMRYSMKO-ZJUUUORDSA-N 1 0 286.217 2.422 10 0 CEAERO COC[C@H](C)C[C@H]([NH3+])c1ccc2c(c1)OCCO2 ZINC000097077600 185521749 /nfs/dbraw/zinc/52/17/49/185521749.db2.gz WZGSNNSUHUURCH-PWSUYJOCSA-N 1 0 251.326 2.130 10 0 CEAERO Cc1ccc(S(=O)(=O)[C@H]2CCC[C@@H]2C[NH3+])c(C)c1 ZINC000084268377 178835449 /nfs/dbraw/zinc/83/54/49/178835449.db2.gz URRQXYHBVHVEHN-OCCSQVGLSA-N 1 0 267.394 2.205 10 0 CEAERO CCn1nc(C)c(Br)c1CO[C@H](C)C[NH2+]C ZINC000084278657 178842039 /nfs/dbraw/zinc/84/20/39/178842039.db2.gz KYBBTQWMWJLQGD-MRVPVSSYSA-N 1 0 290.205 2.098 10 0 CEAERO CCC[NH+](CCC)[C@H](C)C[C@](C)(NC)C(=O)OC ZINC000084302434 178851180 /nfs/dbraw/zinc/85/11/80/178851180.db2.gz BRYLQECPTQPILK-OCCSQVGLSA-N 1 0 258.406 2.038 10 0 CEAERO CCc1nn(C)c(C[C@@H]([NH2+]C)C2CC2)c1Br ZINC000084295891 178848745 /nfs/dbraw/zinc/84/87/45/178848745.db2.gz OSMWYSBORAJERK-SNVBAGLBSA-N 1 0 286.217 2.286 10 0 CEAERO O[C@H]1CCCC[C@H]1[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC000305831623 201821683 /nfs/dbraw/zinc/82/16/83/201821683.db2.gz DUODLNGNXBFMIS-KGLIPLIRSA-N 1 0 283.803 2.477 10 0 CEAERO CC[NH2+][C@H](C)C[C@H](C)Sc1ncnc2[nH]cnc21 ZINC000084361724 178870924 /nfs/dbraw/zinc/87/09/24/178870924.db2.gz YRPFEUCBUDNIGA-BDAKNGLRSA-N 1 0 265.386 2.222 10 0 CEAERO CCCn1nc(C)c(N)c1N[C@@H](C)C[NH+](CC)CC ZINC000097125396 185541159 /nfs/dbraw/zinc/54/11/59/185541159.db2.gz RMKDICQILOZELC-NSHDSACASA-N 1 0 267.421 2.326 10 0 CEAERO CCCC[N@H+](C)C1(CN)CCN(C(=O)OC(C)(C)C)CC1 ZINC000058041163 362606508 /nfs/dbraw/zinc/60/65/08/362606508.db2.gz QYMMAPGQNDPZTN-UHFFFAOYSA-N 1 0 299.459 2.447 10 0 CEAERO CCCn1nccc1[C@H]([NH2+]C)c1cc(C)nnc1C ZINC000097184644 185557109 /nfs/dbraw/zinc/55/71/09/185557109.db2.gz FANJZJQVXFMVJR-CQSZACIVSA-N 1 0 259.357 2.009 10 0 CEAERO CCCn1nccc1[C@@H]([NH2+]C)c1cc(C)nn1CC ZINC000097185230 185557350 /nfs/dbraw/zinc/55/73/50/185557350.db2.gz UEOPTGPYVNBUEQ-CQSZACIVSA-N 1 0 261.373 2.127 10 0 CEAERO CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000057879747 362599387 /nfs/dbraw/zinc/59/93/87/362599387.db2.gz WUGYQXKQCXSVBS-LBPRGKRZSA-N 1 0 291.395 2.306 10 0 CEAERO CN(CC[N@H+](C)CCO)Cc1cccc(C(F)(F)F)c1 ZINC000623091560 349935343 /nfs/dbraw/zinc/93/53/43/349935343.db2.gz IHCYXSIGZCNHGY-UHFFFAOYSA-N 1 0 290.329 2.061 10 0 CEAERO CC(=O)c1ccc(N2C[C@H](O)C[C@@H]2C[NH+](C)C)c(Cl)c1 ZINC000097246447 185571856 /nfs/dbraw/zinc/57/18/56/185571856.db2.gz DTWXILBOWUQONI-CHWSQXEVSA-N 1 0 296.798 2.044 10 0 CEAERO CC[NH2+][C@H](CCCOCC)Cc1cc(C)nn1C ZINC000097273187 185575858 /nfs/dbraw/zinc/57/58/58/185575858.db2.gz BQDGNRWZWJIAEG-CYBMUJFWSA-N 1 0 253.390 2.066 10 0 CEAERO CC[NH2+][C@@H](COc1cccc(Cl)c1)Cc1ncnn1C ZINC000097275125 185575944 /nfs/dbraw/zinc/57/59/44/185575944.db2.gz JQJKMUPEGXCIHI-GFCCVEGCSA-N 1 0 294.786 2.068 10 0 CEAERO CC[NH2+][C@H](Cc1ncnn1C(C)C)c1cncc(F)c1 ZINC000097277477 185576729 /nfs/dbraw/zinc/57/67/29/185576729.db2.gz LRRYYVOIHZKCCC-CYBMUJFWSA-N 1 0 277.347 2.286 10 0 CEAERO C[NH2+][C@H](Cc1ncnn1C(C)C)c1snnc1C(C)C ZINC000097277624 185576761 /nfs/dbraw/zinc/57/67/61/185576761.db2.gz ODKXBWJZOXANDH-SNVBAGLBSA-N 1 0 294.428 2.337 10 0 CEAERO CC[NH2+][C@@H](COC(C)(C)C)Cc1ncnn1C(C)C ZINC000097277369 185577018 /nfs/dbraw/zinc/57/70/18/185577018.db2.gz MAFBGRFOOQZTIB-GFCCVEGCSA-N 1 0 268.405 2.195 10 0 CEAERO CCc1ccc(C[C@H]([NH3+])Cc2c(C)nn(C)c2C)nc1 ZINC000097313634 185584981 /nfs/dbraw/zinc/58/49/81/185584981.db2.gz DZCHPPIDVNOFOY-AWEZNQCLSA-N 1 0 272.396 2.107 10 0 CEAERO CCn1ccnc1C[C@H]([NH2+]C)[C@]1(C)CCCS1 ZINC000097304834 185582054 /nfs/dbraw/zinc/58/20/54/185582054.db2.gz PUWWZRVULXPYRT-AAEUAGOBSA-N 1 0 253.415 2.319 10 0 CEAERO C[NH2+][C@@H](C[C@H]1CCS(=O)(=O)C1)c1cc(C)cc(F)c1 ZINC000097337856 185587151 /nfs/dbraw/zinc/58/71/51/185587151.db2.gz LAIQEMLWJGAKEQ-RISCZKNCSA-N 1 0 285.384 2.219 10 0 CEAERO CCOc1cncc([C@H]([NH3+])CCc2c(C)nn(C)c2C)c1 ZINC000097381474 185595025 /nfs/dbraw/zinc/59/50/25/185595025.db2.gz KPFDQNQHRYSPNL-MRXNPFEDSA-N 1 0 288.395 2.463 10 0 CEAERO C[C@@H]1CC[C@@H]([NH+]2CCN(C(C)(C)C(N)=S)CC2)C[C@@H]1C ZINC000085025936 178942767 /nfs/dbraw/zinc/94/27/67/178942767.db2.gz ZVMSWHHDRQTOLP-HZSPNIEDSA-N 1 0 297.512 2.493 10 0 CEAERO Cc1ccccc1SC[C@@H]([NH3+])CCCS(C)(=O)=O ZINC000097412901 185597974 /nfs/dbraw/zinc/59/79/74/185597974.db2.gz HCNAGDIVAYWXTF-LBPRGKRZSA-N 1 0 287.450 2.239 10 0 CEAERO C[C@H](NC(=O)CC(C)(C)[NH3+])c1ccc(F)c(F)c1 ZINC000084166032 539499552 /nfs/dbraw/zinc/49/95/52/539499552.db2.gz LTYUVNPYYBJFOR-QMMMGPOBSA-N 1 0 256.296 2.269 10 0 CEAERO C[C@@](O)(CC[NH3+])Cc1cc(F)ccc1Br ZINC000084997013 178941689 /nfs/dbraw/zinc/94/16/89/178941689.db2.gz XEICZPAZAIPZGR-LLVKDONJSA-N 1 0 276.149 2.231 10 0 CEAERO CC[C@H]([NH3+])[C@](C)(CCO)c1ccc(OC)c(OC)c1 ZINC000097435476 185603224 /nfs/dbraw/zinc/60/32/24/185603224.db2.gz NIRQNZDVAQTOGB-LSDHHAIUSA-N 1 0 267.369 2.081 10 0 CEAERO C[C@](C[NH3+])(CCO)c1ccc(Br)cc1 ZINC000085118614 178951504 /nfs/dbraw/zinc/95/15/04/178951504.db2.gz WGXAWORPBLRFJI-LLVKDONJSA-N 1 0 258.159 2.048 10 0 CEAERO CCSC1(C[NH2+]C[C@@H](O)COCc2ccco2)CC1 ZINC000596066624 345931646 /nfs/dbraw/zinc/93/16/46/345931646.db2.gz UJEVXDMGTSRIFK-GFCCVEGCSA-N 1 0 285.409 2.032 10 0 CEAERO COC(=O)C[C@](C)(c1c(F)cccc1F)[C@@H](C)[NH3+] ZINC000097431195 185601180 /nfs/dbraw/zinc/60/11/80/185601180.db2.gz CDUJHNQUCHFNBK-OQPBUACISA-N 1 0 257.280 2.133 10 0 CEAERO COc1cc([C@H](C)[NH2+]C[C@@H](C)CCO)ccc1O ZINC000097439184 185604361 /nfs/dbraw/zinc/60/43/61/185604361.db2.gz JEFPCVSRJGKKSG-QWRGUYRKSA-N 1 0 253.342 2.070 10 0 CEAERO C[C@@H](CC[NH3+])CNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000097440552 185604537 /nfs/dbraw/zinc/60/45/37/185604537.db2.gz LGXLTOUVHALEAZ-IKMFHRHGSA-N 1 0 264.413 2.304 10 0 CEAERO CC[NH2+]CC1(Cc2ccn(C(C)C)n2)CCOCC1 ZINC000085171007 178961689 /nfs/dbraw/zinc/96/16/89/178961689.db2.gz LPIDCWJALNEXOA-UHFFFAOYSA-N 1 0 265.401 2.413 10 0 CEAERO CC[C@@H](C)n1ccc(C[C@H](C)C[NH2+]CCOC)n1 ZINC000085185613 178967358 /nfs/dbraw/zinc/96/73/58/178967358.db2.gz UDGWVUPVPTVRHV-QWHCGFSZSA-N 1 0 253.390 2.269 10 0 CEAERO C[NH2+][C@](C)(CO)CCCN(C)c1ccc(F)cc1 ZINC000085214365 178978693 /nfs/dbraw/zinc/97/86/93/178978693.db2.gz IRBDEZJWOQYCDG-AWEZNQCLSA-N 1 0 254.349 2.013 10 0 CEAERO Cc1cc(C)cc(N(C)C[C@](C)(CO)[NH2+]C(C)C)c1 ZINC000085215285 178979169 /nfs/dbraw/zinc/97/91/69/178979169.db2.gz YGNHCVKUTGQQCE-MRXNPFEDSA-N 1 0 264.413 2.489 10 0 CEAERO C[NH+](C)C(C)(C)[C@@H](NN)c1cc2cc(F)ccc2o1 ZINC000097580605 185630331 /nfs/dbraw/zinc/63/03/31/185630331.db2.gz DBNLTOHFUOCQCD-ZDUSSCGKSA-N 1 0 265.332 2.417 10 0 CEAERO Cc1nn(CC[C@](C)(CO)[NH2+]C2CC2)c(C)c1Cl ZINC000085262541 178991771 /nfs/dbraw/zinc/99/17/71/178991771.db2.gz BOLVXXRVBHIISP-CYBMUJFWSA-N 1 0 271.792 2.046 10 0 CEAERO CC[NH2+][C@](C)(CO)CCCCOCC(F)(F)F ZINC000085282790 179000632 /nfs/dbraw/zinc/00/06/32/179000632.db2.gz GZQHTRQXOVVUSB-JTQLQIEISA-N 1 0 257.296 2.096 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)C[C@@H](C)OCC(F)(F)F ZINC000085282799 179000907 /nfs/dbraw/zinc/00/09/07/179000907.db2.gz HGNYAOIZTFOEDJ-ZJUUUORDSA-N 1 0 257.296 2.093 10 0 CEAERO CCOc1ccc(OCCCC[C@@](C)([NH3+])CO)cc1 ZINC000085283396 179001601 /nfs/dbraw/zinc/00/16/01/179001601.db2.gz DLCOAIJUHYBEFW-OAHLLOKOSA-N 1 0 267.369 2.344 10 0 CEAERO CC[NH2+][C@](C)(CO)CCOc1ccc(OCC)cc1 ZINC000085283381 179001718 /nfs/dbraw/zinc/00/17/18/179001718.db2.gz CZTIOCKUKBNYGR-HNNXBMFYSA-N 1 0 267.369 2.215 10 0 CEAERO CCc1ccc(OCCC[C@](C)(CO)[NH2+]C)cc1 ZINC000085284140 179001892 /nfs/dbraw/zinc/00/18/92/179001892.db2.gz YIYMSAKNHILRBZ-OAHLLOKOSA-N 1 0 251.370 2.378 10 0 CEAERO C[C@@H](C[C@@](C)(CO)[NH2+]C1CC1)Oc1ccccc1F ZINC000085284445 179001998 /nfs/dbraw/zinc/00/19/98/179001998.db2.gz IJFOBSZKVCGLLD-NHYWBVRUSA-N 1 0 267.344 2.486 10 0 CEAERO CCC[NH2+][C@](C)(CO)COc1cc(F)cc(F)c1 ZINC000085265222 178995202 /nfs/dbraw/zinc/99/52/02/178995202.db2.gz QRSZGDQRHBCJLR-CYBMUJFWSA-N 1 0 259.296 2.094 10 0 CEAERO CC[NH+](CC)CC[C@@H](NN)[C@H]1CCOC2(CCCC2)C1 ZINC000097592132 185634901 /nfs/dbraw/zinc/63/49/01/185634901.db2.gz GHWPFIRRGIBFGR-LSDHHAIUSA-N 1 0 283.460 2.290 10 0 CEAERO CCC[NH2+][C@@](C)(CO)C[C@@H](C)Sc1nccc(C)n1 ZINC000085287897 179005007 /nfs/dbraw/zinc/00/50/07/179005007.db2.gz TZFGPOURUILYIC-TZMCWYRMSA-N 1 0 283.441 2.406 10 0 CEAERO CCC[NH2+][C@@](C)(CO)C[C@@H](C)Sc1cnccn1 ZINC000085289705 179006239 /nfs/dbraw/zinc/00/62/39/179006239.db2.gz IRLFLMMLFAJRBU-DGCLKSJQSA-N 1 0 269.414 2.098 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)C[C@@H](C)SC1CCOCC1 ZINC000085290170 179006379 /nfs/dbraw/zinc/00/63/79/179006379.db2.gz ZQEJFOSUQXTVMX-OCCSQVGLSA-N 1 0 275.458 2.426 10 0 CEAERO CC[NH2+][C@H](CO)CSc1ccc(C(F)(F)F)cn1 ZINC000085291765 179007023 /nfs/dbraw/zinc/00/70/23/179007023.db2.gz ARDOQWQEFPPRAG-SECBINFHSA-N 1 0 280.315 2.163 10 0 CEAERO CC[NH2+][C@](CO)(CSc1nncs1)c1ccccc1 ZINC000085292467 179007809 /nfs/dbraw/zinc/00/78/09/179007809.db2.gz KXOXEGHEUDSICK-CYBMUJFWSA-N 1 0 295.433 2.128 10 0 CEAERO CC(C)[NH2+][C@@H](CO)CSc1ncnc2ccccc21 ZINC000085297219 179008428 /nfs/dbraw/zinc/00/84/28/179008428.db2.gz PDZOWWBOGIJTAS-NSHDSACASA-N 1 0 277.393 2.081 10 0 CEAERO Cc1cnc(S[C@H](C)C[C@@](C)(CO)[NH2+]C(C)C)nc1 ZINC000085297769 179009114 /nfs/dbraw/zinc/00/91/14/179009114.db2.gz XOROSNHGTBTNDQ-OCCSQVGLSA-N 1 0 283.441 2.405 10 0 CEAERO [NH3+][C@](CO)(CSc1ccc(F)c(F)c1)C1CC1 ZINC000085298039 179009287 /nfs/dbraw/zinc/00/92/87/179009287.db2.gz CIHPGFROCRDPQM-GFCCVEGCSA-N 1 0 259.321 2.157 10 0 CEAERO CC[NH2+][C@](C)(CO)CCCCSc1ncc(C)cn1 ZINC000085297815 179009446 /nfs/dbraw/zinc/00/94/46/179009446.db2.gz DXOWFWQZYQDBJA-AWEZNQCLSA-N 1 0 283.441 2.408 10 0 CEAERO C[NH2+][C@](CO)(CSc1ncccc1Cl)C1CC1 ZINC000085299905 179010624 /nfs/dbraw/zinc/01/06/24/179010624.db2.gz NWTSRCXVMNCNBC-GFCCVEGCSA-N 1 0 272.801 2.188 10 0 CEAERO C[C@H]1CCCCC[N@@H+]1C[C@@](O)(CN)c1ccccc1 ZINC000085302726 179010780 /nfs/dbraw/zinc/01/07/80/179010780.db2.gz UBTTYPHCRQSMQS-HOCLYGCPSA-N 1 0 262.397 2.097 10 0 CEAERO [NH3+]C[C@@](O)(COc1cccc2ccccc21)C1CC1 ZINC000085307143 179012884 /nfs/dbraw/zinc/01/28/84/179012884.db2.gz MSRJCKQKZZJCFY-MRXNPFEDSA-N 1 0 257.333 2.318 10 0 CEAERO [NH3+]C[C@](O)(CSc1nc2ccccc2o1)C1CC1 ZINC000085308633 179013072 /nfs/dbraw/zinc/01/30/72/179013072.db2.gz FBYRASKJONKTDV-ZDUSSCGKSA-N 1 0 264.350 2.020 10 0 CEAERO C[C@@H](NC(=O)CSCCC[NH3+])c1cccs1 ZINC000085315799 179013964 /nfs/dbraw/zinc/01/39/64/179013964.db2.gz IRIWIALFGFGWBN-SECBINFHSA-N 1 0 258.412 2.007 10 0 CEAERO Cc1nn(C)c(CSCC[C@H](C)[NH3+])c1Br ZINC000085316952 179014119 /nfs/dbraw/zinc/01/41/19/179014119.db2.gz ODFJXEPWRHQWMO-ZETCQYMHSA-N 1 0 292.246 2.462 10 0 CEAERO [NH3+]C[C@](O)(CSc1ccc(F)cc1F)C1CC1 ZINC000085320499 179014506 /nfs/dbraw/zinc/01/45/06/179014506.db2.gz PBVAFPWZMNBPND-LBPRGKRZSA-N 1 0 259.321 2.157 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)Nc1cccc2ncccc21 ZINC000085355857 179030220 /nfs/dbraw/zinc/03/02/20/179030220.db2.gz TVGDJYGVMCUGOI-JQWIXIFHSA-N 1 0 255.321 2.301 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1cc(F)ccc1F ZINC000085355910 179030339 /nfs/dbraw/zinc/03/03/39/179030339.db2.gz MJNIEQVBLFCXGA-ONGXEEELSA-N 1 0 254.280 2.421 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(Br)cn1 ZINC000085357752 179030944 /nfs/dbraw/zinc/03/09/44/179030944.db2.gz GQROZGQKORMGRV-VHSXEESVSA-N 1 0 298.184 2.300 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000085359099 179032061 /nfs/dbraw/zinc/03/20/61/179032061.db2.gz VHVZJFSRTYZAEI-RFQIPJPRSA-N 1 0 250.386 2.295 10 0 CEAERO CC(=O)Nc1ccc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])cc1C ZINC000085359891 179032526 /nfs/dbraw/zinc/03/25/26/179032526.db2.gz YAZDGIOUSUUTSV-CHWSQXEVSA-N 1 0 275.352 2.019 10 0 CEAERO CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])cc1C ZINC000085359884 179032609 /nfs/dbraw/zinc/03/26/09/179032609.db2.gz UITUOONVLPUWAM-ZIAGYGMSSA-N 1 0 289.379 2.409 10 0 CEAERO COC(=O)c1ccc(F)c(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000085360971 179032817 /nfs/dbraw/zinc/03/28/17/179032817.db2.gz JIHVOILYRSCIQW-JQWIXIFHSA-N 1 0 294.326 2.068 10 0 CEAERO COC(=O)c1ccc(F)c(NC(=O)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000085360976 179033140 /nfs/dbraw/zinc/03/31/40/179033140.db2.gz JIHVOILYRSCIQW-CMPLNLGQSA-N 1 0 294.326 2.068 10 0 CEAERO Cc1nn(C)c(CS[C@@H](C)CC[NH3+])c1Br ZINC000085344859 179028245 /nfs/dbraw/zinc/02/82/45/179028245.db2.gz LZVZMLNJXWCPGW-ZETCQYMHSA-N 1 0 292.246 2.462 10 0 CEAERO CCN(Cc1ccc(OC)c(F)c1)C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085367002 179037016 /nfs/dbraw/zinc/03/70/16/179037016.db2.gz VBQVRNMSZBQPJV-TZMCWYRMSA-N 1 0 294.370 2.310 10 0 CEAERO CN(Cc1ccc(OC(F)F)cc1)C(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085366546 179037221 /nfs/dbraw/zinc/03/72/21/179037221.db2.gz WBVNIWOBPDNYOK-QWHCGFSZSA-N 1 0 298.333 2.374 10 0 CEAERO CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085367849 179037713 /nfs/dbraw/zinc/03/77/13/179037713.db2.gz DHURMPBUEWKECS-STQMWFEESA-N 1 0 266.772 2.426 10 0 CEAERO CCCCN(CC(F)(F)F)C(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085368407 179038127 /nfs/dbraw/zinc/03/81/27/179038127.db2.gz DCIVDUSWAXKSGN-VHSXEESVSA-N 1 0 266.307 2.305 10 0 CEAERO CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085368736 179038473 /nfs/dbraw/zinc/03/84/73/179038473.db2.gz FHDQDIKWIIQPAZ-HUUCEWRRSA-N 1 0 276.380 2.171 10 0 CEAERO C[C@H]1c2ccsc2CCN1C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085369747 179039787 /nfs/dbraw/zinc/03/97/87/179039787.db2.gz NDDNRCWNKBFLFF-WCQGTBRESA-N 1 0 264.394 2.321 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])c1ccc(F)cc1 ZINC000085370716 179040923 /nfs/dbraw/zinc/04/09/23/179040923.db2.gz BVGXPJHKMJJQHB-BIMULSAOSA-N 1 0 250.317 2.130 10 0 CEAERO CCC(=O)Nc1cccc(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000085370840 179040933 /nfs/dbraw/zinc/04/09/33/179040933.db2.gz XGBLOHBPAJRTJM-OLZOCXBDSA-N 1 0 275.352 2.101 10 0 CEAERO COC(=O)c1c(C)c(C)sc1NC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085371679 179041931 /nfs/dbraw/zinc/04/19/31/179041931.db2.gz OEBDXUSMADPGBJ-NXEZZACHSA-N 1 0 296.392 2.217 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)NCc1cccc(Br)c1 ZINC000085372347 179042205 /nfs/dbraw/zinc/04/22/05/179042205.db2.gz VQDIDIUWGVRZFU-RYUDHWBXSA-N 1 0 297.196 2.193 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000085374335 179043219 /nfs/dbraw/zinc/04/32/19/179043219.db2.gz AAQGMPJVNZIGMC-XCBNKYQSSA-N 1 0 258.243 2.170 10 0 CEAERO CCO[C@H]1C[C@H]([NH2+][C@@H](C)Cn2cccn2)C1(C)C ZINC000085384877 179046766 /nfs/dbraw/zinc/04/67/66/179046766.db2.gz WDJKFDKAIPGWJQ-AVGNSLFASA-N 1 0 251.374 2.065 10 0 CEAERO CCO[C@H]1C[C@H]([NH2+]CCC(=O)N[C@@H](C)CC)C1(C)C ZINC000085386431 179047213 /nfs/dbraw/zinc/04/72/13/179047213.db2.gz FFGZSKYKIJXJOH-AVGNSLFASA-N 1 0 270.417 2.084 10 0 CEAERO COC(=O)Nc1cccc(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000085365798 179036358 /nfs/dbraw/zinc/03/63/58/179036358.db2.gz DJAMPOFXPAIMCL-CHWSQXEVSA-N 1 0 291.351 2.321 10 0 CEAERO CC[C@H](C)n1ccc(CN2CC[NH2+][C@H](C(C)C)C2)n1 ZINC000085434776 179060927 /nfs/dbraw/zinc/06/09/27/179060927.db2.gz KYMADXVHIWJAID-ZFWWWQNUSA-N 1 0 264.417 2.284 10 0 CEAERO COc1ccc(C)cc1CN1CC[NH2+][C@@H](C2CC2)C1 ZINC000085434820 179061200 /nfs/dbraw/zinc/06/12/00/179061200.db2.gz PACHOOPHUKHNIP-OAHLLOKOSA-N 1 0 260.381 2.187 10 0 CEAERO CC(C)[C@@H]([NH2+]Cc1cnn(CCO)c1)c1cccs1 ZINC000085433510 179061347 /nfs/dbraw/zinc/06/13/47/179061347.db2.gz LXUFZDKPPFPWRS-CQSZACIVSA-N 1 0 279.409 2.424 10 0 CEAERO C([C@@H]1CCCCO1)N1CC[NH2+][C@H](C2CCCCC2)C1 ZINC000085435526 179061728 /nfs/dbraw/zinc/06/17/28/179061728.db2.gz MCGJCJRTTJECLR-HOTGVXAUSA-N 1 0 266.429 2.410 10 0 CEAERO c1ccc([C@H]2CN(C[C@@H]3CCCCO3)CC[NH2+]2)cc1 ZINC000085435431 179062244 /nfs/dbraw/zinc/06/22/44/179062244.db2.gz GXCGJFXIGLATEM-JKSUJKDBSA-N 1 0 260.381 2.202 10 0 CEAERO C([C@@H]1CCCO1)N1CC[NH2+][C@@H](C2CCCCC2)C1 ZINC000085435515 179062250 /nfs/dbraw/zinc/06/22/50/179062250.db2.gz MBFRIPGHUVXKGN-LSDHHAIUSA-N 1 0 252.402 2.020 10 0 CEAERO CCc1nn(C)c(CSCC2C[NH2+]C2)c1Cl ZINC000085444545 179063607 /nfs/dbraw/zinc/06/36/07/179063607.db2.gz COAIXOPILQEJQO-UHFFFAOYSA-N 1 0 259.806 2.089 10 0 CEAERO CCn1nc(C)c(Cl)c1CSCC1C[NH2+]C1 ZINC000085444019 179063653 /nfs/dbraw/zinc/06/36/53/179063653.db2.gz ZLWRGNMFIWQTOM-UHFFFAOYSA-N 1 0 259.806 2.317 10 0 CEAERO CC[C@@H](C)[C@H]1CN(CCOCCC(C)C)CC[NH2+]1 ZINC000085449662 179064436 /nfs/dbraw/zinc/06/44/36/179064436.db2.gz SGIPRCBBLODRCU-HUUCEWRRSA-N 1 0 256.434 2.369 10 0 CEAERO CC(C)[C@@H](C[NH+](C)C)Nc1ncncc1Br ZINC000085465484 179070890 /nfs/dbraw/zinc/07/08/90/179070890.db2.gz CVFBSZUOZLCOBH-SNVBAGLBSA-N 1 0 287.205 2.237 10 0 CEAERO CC(C)C[C@H](C[NH3+])Nc1ncncc1Br ZINC000085466823 179072064 /nfs/dbraw/zinc/07/20/64/179072064.db2.gz ZAVMDZRPOVQENL-MRVPVSSYSA-N 1 0 273.178 2.024 10 0 CEAERO CCC(CC)(C[NH3+])Nc1ncncc1Br ZINC000085466833 179072621 /nfs/dbraw/zinc/07/26/21/179072621.db2.gz YULNDBBHOFWEKU-UHFFFAOYSA-N 1 0 273.178 2.169 10 0 CEAERO CC[C@H](C)n1ccc(CN2CC(C)(C)[NH2+]C[C@@H]2C)n1 ZINC000085468895 179073858 /nfs/dbraw/zinc/07/38/58/179073858.db2.gz NISYFIQTMMDWGF-STQMWFEESA-N 1 0 264.417 2.426 10 0 CEAERO C[C@@]1(C2CC2)C[NH2+]CCN1CCOc1ccccc1 ZINC000085452497 179065837 /nfs/dbraw/zinc/06/58/37/179065837.db2.gz ULLLBFQXMUHAKB-INIZCTEOSA-N 1 0 260.381 2.139 10 0 CEAERO COc1ccccc1CN1CC[NH2+]C[C@]1(C)C1CC1 ZINC000085452544 179066251 /nfs/dbraw/zinc/06/62/51/179066251.db2.gz XJRQNDPGESPQKK-MRXNPFEDSA-N 1 0 260.381 2.269 10 0 CEAERO CCC[C@H]1CN(CCn2cccn2)[C@@H](CCC)C[NH2+]1 ZINC000085455107 179067886 /nfs/dbraw/zinc/06/78/86/179067886.db2.gz OKPMJTPFJWIPLU-GJZGRUSLSA-N 1 0 264.417 2.126 10 0 CEAERO CC[C@H](C)[C@@H]1CN(Cc2ncccn2)C(C)(C)C[NH2+]1 ZINC000085492835 179082160 /nfs/dbraw/zinc/08/21/60/179082160.db2.gz CKSUEGOQCLMRAY-STQMWFEESA-N 1 0 262.401 2.075 10 0 CEAERO COCCC[N@@H+]1C[C@H](C(C)(C)C)NC[C@@H]1C(C)C ZINC000085475884 179078866 /nfs/dbraw/zinc/07/88/66/179078866.db2.gz AFEPSLFFKMZGEI-ZIAGYGMSSA-N 1 0 256.434 2.367 10 0 CEAERO CC[C@H]1CN(Cc2cccnc2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085475162 179079014 /nfs/dbraw/zinc/07/90/14/179079014.db2.gz XRXMSXSXPIUHTK-JKSUJKDBSA-N 1 0 259.397 2.434 10 0 CEAERO [NH3+]CC1(Nc2ncncc2Br)CCCCC1 ZINC000085480743 179080165 /nfs/dbraw/zinc/08/01/65/179080165.db2.gz RVSBUNBGXSEIRS-UHFFFAOYSA-N 1 0 285.189 2.313 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC(C)C)CN1C[C@@H]1CCCO1 ZINC000085487334 179081055 /nfs/dbraw/zinc/08/10/55/179081055.db2.gz MPKQJUHDWDCMTJ-ZNMIVQPWSA-N 1 0 254.418 2.264 10 0 CEAERO CC[C@H](C)[C@H]1CN(C[C@@H]2CCCO2)[C@@H](CC)C[NH2+]1 ZINC000085490735 179081392 /nfs/dbraw/zinc/08/13/92/179081392.db2.gz IFNNISSICQGERY-ZQDZILKHSA-N 1 0 254.418 2.264 10 0 CEAERO CCOCCN1C[C@@H](c2ccccc2)[NH2+]CC1(C)C ZINC000085507393 179084815 /nfs/dbraw/zinc/08/48/15/179084815.db2.gz CQMJMJOQNDOMJJ-HNNXBMFYSA-N 1 0 262.397 2.448 10 0 CEAERO CCC[C@@H]1CN[C@@](C)(C2CC2)C[N@@H+]1CCCOC ZINC000085511159 179085356 /nfs/dbraw/zinc/08/53/56/179085356.db2.gz TXXZRZOBGCLTKX-HUUCEWRRSA-N 1 0 254.418 2.266 10 0 CEAERO CCC[C@@H]1CN[C@](C)(C2CC2)C[N@@H+]1CCCOC ZINC000085511170 179085435 /nfs/dbraw/zinc/08/54/35/179085435.db2.gz TXXZRZOBGCLTKX-CABCVRRESA-N 1 0 254.418 2.266 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1cnn(C)c1 ZINC000085511940 179085619 /nfs/dbraw/zinc/08/56/19/179085619.db2.gz NEDNUZIYWLZPLW-HZPDHXFCSA-N 1 0 276.428 2.163 10 0 CEAERO CC(C)n1ccc(CN2C[C@](C)(C3CC3)[NH2+]C[C@@H]2C)n1 ZINC000085509409 179085733 /nfs/dbraw/zinc/08/57/33/179085733.db2.gz NMFFELBEPWNARJ-XJKSGUPXSA-N 1 0 276.428 2.426 10 0 CEAERO CC[C@@H]1CN[C@@](C)(C2CC2)C[N@@H+]1CCCn1ccnc1 ZINC000085509908 179085862 /nfs/dbraw/zinc/08/58/62/179085862.db2.gz KUMNONLTOBLILQ-HZPDHXFCSA-N 1 0 276.428 2.126 10 0 CEAERO CCC[C@@H]1CN[C@@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085511806 179085898 /nfs/dbraw/zinc/08/58/98/179085898.db2.gz XPYBQEBGZODJSE-NUEKZKHPSA-N 1 0 266.429 2.266 10 0 CEAERO CCC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1[C@@H]1CCOC1 ZINC000085511551 179085975 /nfs/dbraw/zinc/08/59/75/179085975.db2.gz BUQMGDIVOYKZHR-KFWWJZLASA-N 1 0 252.402 2.018 10 0 CEAERO C[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1CCCOCC(F)(F)F ZINC000085509388 179086076 /nfs/dbraw/zinc/08/60/76/179086076.db2.gz ACDKUFFLYSJEHC-DGCLKSJQSA-N 1 0 294.361 2.418 10 0 CEAERO COc1cccc(CN2C[C@](C)(C3CC3)[NH2+]CC2(C)C)n1 ZINC000085514580 179086532 /nfs/dbraw/zinc/08/65/32/179086532.db2.gz XTGFKHAFNUWEOT-QGZVFWFLSA-N 1 0 289.423 2.443 10 0 CEAERO CCC1(CC)C[N@H+](CCOC)[C@](C)(C2CC2)CN1 ZINC000085520966 179087522 /nfs/dbraw/zinc/08/75/22/179087522.db2.gz MIYXYPPAIIGWJS-AWEZNQCLSA-N 1 0 254.418 2.266 10 0 CEAERO CCC1(CC)CN(Cc2cnn(C)c2)[C@@H](C2CC2)C[NH2+]1 ZINC000085519303 179087560 /nfs/dbraw/zinc/08/75/60/179087560.db2.gz VRJLILQNPYHZAA-OAHLLOKOSA-N 1 0 276.428 2.163 10 0 CEAERO CCC1(CC)CN(CCn2ccnc2C)[C@@H](C)C[NH2+]1 ZINC000085516792 179087611 /nfs/dbraw/zinc/08/76/11/179087611.db2.gz UKDYELHQVDKGNR-ZDUSSCGKSA-N 1 0 264.417 2.044 10 0 CEAERO Cn1cc(CN2C[C@@](C)(C3CC3)[NH2+]CC23CCCC3)cn1 ZINC000085515913 179087936 /nfs/dbraw/zinc/08/79/36/179087936.db2.gz PUSUANXUVNKALV-INIZCTEOSA-N 1 0 288.439 2.307 10 0 CEAERO CCC[C@@H]1CNC2(CCCC2)C[N@@H+]1CCCOC ZINC000085497899 179083248 /nfs/dbraw/zinc/08/32/48/179083248.db2.gz KKXPXXCSJSHKQB-CQSZACIVSA-N 1 0 254.418 2.410 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](c2ccccc2)CN1Cc1ncccn1 ZINC000085504497 179084116 /nfs/dbraw/zinc/08/41/16/179084116.db2.gz GSXIUFRJFIRBJM-UKRRQHHQSA-N 1 0 268.364 2.012 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](c2ccccc2)CN1[C@@H]1CCOC1 ZINC000085505364 179084295 /nfs/dbraw/zinc/08/42/95/179084295.db2.gz CZIFTJKVRIRLNV-ARFHVFGLSA-N 1 0 260.381 2.200 10 0 CEAERO Cc1nccn1CCN1C[C@@H](C2CC2)[NH2+]C[C@@H]1C(C)(C)C ZINC000085526799 179089489 /nfs/dbraw/zinc/08/94/89/179089489.db2.gz KRXLDZSMZJXMAT-JKSUJKDBSA-N 1 0 290.455 2.290 10 0 CEAERO CC1(C)C[NH2+][C@@H](C2CC2)CN1Cc1cn2ccccc2n1 ZINC000085528045 179090955 /nfs/dbraw/zinc/09/09/55/179090955.db2.gz VNZFRBDFOPNROR-OAHLLOKOSA-N 1 0 284.407 2.297 10 0 CEAERO C[C@@]1(C2CC2)C[NH2+][C@@H](C2CC2)CN1Cc1ccccn1 ZINC000085529419 179091322 /nfs/dbraw/zinc/09/13/22/179091322.db2.gz PLATZXWUGTVSIE-SJORKVTESA-N 1 0 271.408 2.434 10 0 CEAERO CC[C@H]1CN[C@](C)(c2ccccc2)C[N@@H+]1CCOC ZINC000085531972 179091574 /nfs/dbraw/zinc/09/15/74/179091574.db2.gz OMYNWCOPYZDHFE-HOTGVXAUSA-N 1 0 262.397 2.232 10 0 CEAERO C[NH2+][C@@H]1CCC2(C[C@H]1Oc1cc(C)ccc1F)OCCO2 ZINC000085554597 179093037 /nfs/dbraw/zinc/09/30/37/179093037.db2.gz RPYSNBXTOVGOAM-UKRRQHHQSA-N 1 0 295.354 2.397 10 0 CEAERO CO[C@@H]1CCC[C@H]1n1c2c(nc1C(F)(F)F)C[NH2+]CC2 ZINC000085570861 179095908 /nfs/dbraw/zinc/09/59/08/179095908.db2.gz HFLOFAQRBIJWLF-GHMZBOCLSA-N 1 0 289.301 2.288 10 0 CEAERO CC(C)Cc1nc2c(n1[C@@H](C)[C@H]1CCCO1)CC[NH2+]C2 ZINC000085570097 179096230 /nfs/dbraw/zinc/09/62/30/179096230.db2.gz HHXKRSAOCAZNJT-SWLSCSKDSA-N 1 0 277.412 2.467 10 0 CEAERO CC(C)c1nc2c(n1CCOCC(F)(F)F)CC[NH2+]C2 ZINC000085571769 179097228 /nfs/dbraw/zinc/09/72/28/179097228.db2.gz JGUDNXLEFFBDGA-UHFFFAOYSA-N 1 0 291.317 2.231 10 0 CEAERO CC(C)(C)c1nc2c(n1[C@H]1CCCC[C@@H]1O)CC[NH2+]C2 ZINC000085571267 179097282 /nfs/dbraw/zinc/09/72/82/179097282.db2.gz DWGNAHDOFSAZGM-KBPBESRZSA-N 1 0 277.412 2.302 10 0 CEAERO CCc1nc2c(n1CCOc1cccc(C)c1)CC[NH2+]C2 ZINC000085572329 179097411 /nfs/dbraw/zinc/09/74/11/179097411.db2.gz PFTCNSHTOJUDHO-UHFFFAOYSA-N 1 0 285.391 2.479 10 0 CEAERO CC(C)Cc1nc2c(n1[C@@H](C)Cn1cccn1)CC[NH2+]C2 ZINC000085574306 179099124 /nfs/dbraw/zinc/09/91/24/179099124.db2.gz LWMFIQOMRURXTL-ZDUSSCGKSA-N 1 0 287.411 2.185 10 0 CEAERO CC[C@H](C)[C@H]1CN(Cc2cccc(OC)n2)CCC[NH2+]1 ZINC000085609372 179101303 /nfs/dbraw/zinc/10/13/03/179101303.db2.gz WPEIKAYQYVQRDP-DZGCQCFKSA-N 1 0 277.412 2.300 10 0 CEAERO CCn1cc(CN2CCC[NH2+][C@@H](c3ccccc3)C2)cn1 ZINC000085610872 179102430 /nfs/dbraw/zinc/10/24/30/179102430.db2.gz WCOAPQJXRWLBAE-QGZVFWFLSA-N 1 0 284.407 2.440 10 0 CEAERO C[C@]1(C2CC2)CN(Cc2cn3ccccc3n2)CCC[NH2+]1 ZINC000085613372 179102473 /nfs/dbraw/zinc/10/24/73/179102473.db2.gz KCVCXPXBFKPREH-QGZVFWFLSA-N 1 0 284.407 2.298 10 0 CEAERO CCn1cc(CN2C[C@H](C(C)C)[NH2+]CC[C@@H]2C)cn1 ZINC000085618303 179104450 /nfs/dbraw/zinc/10/44/50/179104450.db2.gz OVSGLCVWBURZDU-DZGCQCFKSA-N 1 0 264.417 2.111 10 0 CEAERO CCC1(CC)C[N@H+](CC2CCOCC2)CCCN1 ZINC000085617590 179104454 /nfs/dbraw/zinc/10/44/54/179104454.db2.gz CZXVKMXGOFUASY-UHFFFAOYSA-N 1 0 254.418 2.267 10 0 CEAERO C[C@H]1CCN[C@H](c2ccccc2)C[N@@H+]1CCn1cccn1 ZINC000085621436 179105034 /nfs/dbraw/zinc/10/50/34/179105034.db2.gz UZXYHANZNSAEDS-RDJZCZTQSA-N 1 0 284.407 2.308 10 0 CEAERO CCOCC[N@@H+]1C[C@@H](c2ccccc2)NCC[C@@H]1C ZINC000085621203 179105224 /nfs/dbraw/zinc/10/52/24/179105224.db2.gz IQORQTNOVXHLGU-HOCLYGCPSA-N 1 0 262.397 2.448 10 0 CEAERO [NH2+]=C(c1cc(F)cc(Br)c1)N1CCOCC1 ZINC000085634129 179108797 /nfs/dbraw/zinc/10/87/97/179108797.db2.gz GKBQOIPRKLNQDG-UHFFFAOYSA-N 1 0 287.132 2.246 10 0 CEAERO C[C@@H](CN1CCCCC1)[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085634991 179109414 /nfs/dbraw/zinc/10/94/14/179109414.db2.gz XYPFJWAYTZCRGO-AJNGGQMLSA-N 1 0 266.429 2.264 10 0 CEAERO CCN1CCC[C@@H]([NH2+]Cc2ccncc2Cl)C1 ZINC000527644155 313190256 /nfs/dbraw/zinc/19/02/56/313190256.db2.gz FZAZGUAHKPKMLW-GFCCVEGCSA-N 1 0 253.777 2.309 10 0 CEAERO CCCn1cc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)cn1 ZINC000128450118 187371103 /nfs/dbraw/zinc/37/11/03/187371103.db2.gz OCRCLLGYBJUDGX-AWEZNQCLSA-N 1 0 273.384 2.016 10 0 CEAERO C[NH2+][C@@H](Cc1ccc(Br)cc1)CN(C)C ZINC000085798909 179172663 /nfs/dbraw/zinc/17/26/63/179172663.db2.gz PRAFULUJEZVAIX-LBPRGKRZSA-N 1 0 271.202 2.141 10 0 CEAERO [NH3+]Cc1ccccc1NC(=O)Cc1noc2ccccc12 ZINC000085810434 179177230 /nfs/dbraw/zinc/17/72/30/179177230.db2.gz RLLASMVMVRYXHL-UHFFFAOYSA-N 1 0 281.315 2.468 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1CNC(=O)CCc1ccccc1 ZINC000085965322 179205355 /nfs/dbraw/zinc/20/53/55/179205355.db2.gz QZIXHEQORXLUEL-HUUCEWRRSA-N 1 0 260.381 2.253 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1CNC(=O)c1c(F)cccc1F ZINC000085965470 179205529 /nfs/dbraw/zinc/20/55/29/179205529.db2.gz QNABIBJFVBPOBX-CABZTGNLSA-N 1 0 268.307 2.212 10 0 CEAERO Cc1cc(C[NH2+]C[C@H]2CCCC[C@@H]2O)c(C)n1C ZINC000085972077 179207176 /nfs/dbraw/zinc/20/71/76/179207176.db2.gz MXAQJIFFHSIEFM-HIFRSBDPSA-N 1 0 250.386 2.283 10 0 CEAERO C[NH2+][C@@H](CCO)COc1cccc(C(C)(C)C)c1 ZINC000085926128 179202006 /nfs/dbraw/zinc/20/20/06/179202006.db2.gz SYVNWOREXUNNGQ-ZDUSSCGKSA-N 1 0 251.370 2.333 10 0 CEAERO CCOc1ccc2[nH]c(SC[C@@H](CCO)[NH2+]C)nc2c1 ZINC000085928205 179202773 /nfs/dbraw/zinc/20/27/73/179202773.db2.gz OCAYVZDVABBDIL-SNVBAGLBSA-N 1 0 295.408 2.024 10 0 CEAERO C[NH2+][C@@H](CCO)CSc1nc2ccccc2s1 ZINC000085928154 179202968 /nfs/dbraw/zinc/20/29/68/179202968.db2.gz NCLIMCIFNQYKKN-VIFPVBQESA-N 1 0 268.407 2.359 10 0 CEAERO C[NH2+]Cc1ncoc1-c1ccc(Br)o1 ZINC000085940177 179203355 /nfs/dbraw/zinc/20/33/55/179203355.db2.gz PBAFONDHBHZEBU-UHFFFAOYSA-N 1 0 257.087 2.417 10 0 CEAERO C[NH2+][C@H](c1cc(C)sc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000086020634 179217957 /nfs/dbraw/zinc/21/79/57/179217957.db2.gz VQKSHAPJVRXGKB-PWSUYJOCSA-N 1 0 273.423 2.060 10 0 CEAERO Cc1nc2ccccn2c1C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000085979840 179209388 /nfs/dbraw/zinc/20/93/88/179209388.db2.gz YTHDEVGXSNTSGU-ZFWWWQNUSA-N 1 0 273.380 2.283 10 0 CEAERO CC(C)c1ccc([C@@H](O)C[NH2+]CC[C@@H](C)O)cc1 ZINC000085990231 179213675 /nfs/dbraw/zinc/21/36/75/179213675.db2.gz IDAMHHFJCUVKAK-DOMZBBRYSA-N 1 0 251.370 2.204 10 0 CEAERO CCC[NH2+][C@@H]1CC[C@H](Sc2n[nH]c(=O)n2C2CC2)[C@@H]1C ZINC000086045682 179222835 /nfs/dbraw/zinc/22/28/35/179222835.db2.gz NELVFWGROLZNHB-JLLWLGSASA-N 1 0 296.440 2.165 10 0 CEAERO CC[NH2+][C@@H]1CC[C@@H](Sc2ncnc3[nH]cnc32)[C@@H]1C ZINC000086045357 179222876 /nfs/dbraw/zinc/22/28/76/179222876.db2.gz AHIZRTGNVKWOET-OPRDCNLKSA-N 1 0 277.397 2.222 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)Nc1ccccc1Br ZINC000086064921 179223957 /nfs/dbraw/zinc/22/39/57/179223957.db2.gz ZGZNIXLZISSQQO-QMMMGPOBSA-N 1 0 271.158 2.243 10 0 CEAERO [NH3+][C@@H](c1cc(Cl)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000086020256 179218207 /nfs/dbraw/zinc/21/82/07/179218207.db2.gz JYKGUWLCPPISNZ-RDDDGLTNSA-N 1 0 294.203 2.428 10 0 CEAERO CCC[NH2+][C@H](Cc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000086026429 179219805 /nfs/dbraw/zinc/21/98/05/179219805.db2.gz BUAAQZSNUOWYLX-JKSUJKDBSA-N 1 0 295.448 2.340 10 0 CEAERO COC1(OC)CC(C[NH3+])(c2ccccc2Cl)C1 ZINC000086035399 179221220 /nfs/dbraw/zinc/22/12/20/179221220.db2.gz OOUBGWRULNXSSP-UHFFFAOYSA-N 1 0 255.745 2.319 10 0 CEAERO CC[NH2+][C@H]1CC[C@@H](S(=O)(=O)c2ccc(OC)cc2)[C@@H]1C ZINC000086040769 179221935 /nfs/dbraw/zinc/22/19/35/179221935.db2.gz UJFGKOCQFVUYCE-BYCMXARLSA-N 1 0 297.420 2.246 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CC[C@@H]1S(=O)(=O)c1ccccc1Cl ZINC000086040374 179222085 /nfs/dbraw/zinc/22/20/85/179222085.db2.gz KSZDKFNWVPNSMS-IEBDPFPHSA-N 1 0 273.785 2.240 10 0 CEAERO CC[C@@H]1CC[C@H]([NH2+]CC(=O)NCC(F)(F)F)[C@@H]1C ZINC000086095685 179229708 /nfs/dbraw/zinc/22/97/08/179229708.db2.gz LXHRTGGCFYHCIC-BBBLOLIVSA-N 1 0 266.307 2.079 10 0 CEAERO CC[C@H]1CC[C@@H](NS(=O)(=O)CCC[NH2+]C(C)C)[C@@H]1C ZINC000086101458 179230437 /nfs/dbraw/zinc/23/04/37/179230437.db2.gz HUQRBCLFTRTELB-HZSPNIEDSA-N 1 0 290.473 2.119 10 0 CEAERO COc1ccc(CCN2CC[NH2+][C@](C)(C3CC3)C2)cc1 ZINC000086122946 179235645 /nfs/dbraw/zinc/23/56/45/179235645.db2.gz VWWJVKQYFQEEDJ-KRWDZBQOSA-N 1 0 274.408 2.312 10 0 CEAERO C[C@]1(c2ccccc2)C[N@H+](CCc2cccnc2)CCN1 ZINC000086141917 179237064 /nfs/dbraw/zinc/23/70/64/179237064.db2.gz YHBSNJOEVSTRPZ-GOSISDBHSA-N 1 0 281.403 2.445 10 0 CEAERO Cc1nc(CN2CC[NH2+][C@@](C)(C3CC3)C2)cs1 ZINC000086144238 179237867 /nfs/dbraw/zinc/23/78/67/179237867.db2.gz DFVXVUBRABXYKP-CYBMUJFWSA-N 1 0 251.399 2.025 10 0 CEAERO CC[C@@H]1CC[C@H](NC(=O)[C@H]([NH3+])Cc2ccccc2)[C@@H]1C ZINC000086094015 179228751 /nfs/dbraw/zinc/22/87/51/179228751.db2.gz OCXSQSGHZWJVAH-MIGQKNRLSA-N 1 0 274.408 2.497 10 0 CEAERO CCC1(CC)CN(c2cnn(C(C)C)c2)CC[NH2+]1 ZINC000086148292 179240020 /nfs/dbraw/zinc/24/00/20/179240020.db2.gz BTNJOWYBNCGXOJ-UHFFFAOYSA-N 1 0 250.390 2.432 10 0 CEAERO Cc1csc(CCN2C[C@H](C(C)C)[NH2+]C[C@@H]2C)n1 ZINC000086175398 179245299 /nfs/dbraw/zinc/24/52/99/179245299.db2.gz FYHCRQWKZAGWFG-QWHCGFSZSA-N 1 0 267.442 2.312 10 0 CEAERO C[C@@H]1CN([C@@H]2CCCOC2)[C@H](c2ccccc2)C[NH2+]1 ZINC000086175666 179245533 /nfs/dbraw/zinc/24/55/33/179245533.db2.gz KOKZPVZGRBIPFI-BMFZPTHFSA-N 1 0 260.381 2.200 10 0 CEAERO Cc1cc(CN2C[C@@H](Cc3ccccc3)[NH2+]C[C@@H]2C)on1 ZINC000086174084 179245696 /nfs/dbraw/zinc/24/56/96/179245696.db2.gz VVNSDNDSMVCOST-GOEBONIOSA-N 1 0 285.391 2.388 10 0 CEAERO CC[C@H](C)[C@H]1CN(Cc2scnc2C)CC[NH2+]1 ZINC000086149026 179239642 /nfs/dbraw/zinc/23/96/42/179239642.db2.gz LFPIALJXXNUOEU-CMPLNLGQSA-N 1 0 253.415 2.271 10 0 CEAERO CCn1cc(N2CC3(CCCCC3)[NH2+]C[C@@H]2C)cn1 ZINC000086218524 179249946 /nfs/dbraw/zinc/24/99/46/179249946.db2.gz UTDBLAMFDWGNNP-ZDUSSCGKSA-N 1 0 262.401 2.404 10 0 CEAERO CC[C@H]1CN[C@@](C)(CC)C[N@@H+]1[C@@H](C)[C@@H]1CCCO1 ZINC000086218207 179249951 /nfs/dbraw/zinc/24/99/51/179249951.db2.gz SPSCBZQHZKOZLQ-AJNGGQMLSA-N 1 0 254.418 2.406 10 0 CEAERO CC[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1CCc1cccnc1 ZINC000086223194 179251404 /nfs/dbraw/zinc/25/14/04/179251404.db2.gz YQTLZEQNJQULJU-IAGOWNOFSA-N 1 0 273.424 2.477 10 0 CEAERO CC[C@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1nccs1 ZINC000086226809 179253356 /nfs/dbraw/zinc/25/33/56/179253356.db2.gz DUZBFNJMKUJLOT-GXTWGEPZSA-N 1 0 265.426 2.496 10 0 CEAERO CCC1(CC)CN(Cc2nccs2)[C@@H](C)C[NH2+]1 ZINC000086226859 179253469 /nfs/dbraw/zinc/25/34/69/179253469.db2.gz WLJORZUTFVNHHS-NSHDSACASA-N 1 0 253.415 2.496 10 0 CEAERO [NH3+][C@H]1CCO[C@H]1c1ccc(F)c(Br)c1 ZINC000086249133 179255237 /nfs/dbraw/zinc/25/52/37/179255237.db2.gz KWSOPTRAZDPULB-UWVGGRQHSA-N 1 0 260.106 2.377 10 0 CEAERO COCCCC[N@@H+]1C[C@H](c2ccccc2)NC[C@@H]1C ZINC000086259396 179258768 /nfs/dbraw/zinc/25/87/68/179258768.db2.gz ZOFYGRUNRXMZRB-GOEBONIOSA-N 1 0 262.397 2.448 10 0 CEAERO CCOC[C@@H](C)[N@@H+]1C[C@H](C2CC2)NC[C@@H]1C(C)C ZINC000086259707 179258981 /nfs/dbraw/zinc/25/89/81/179258981.db2.gz RFVCQBIGLNQTDW-BPLDGKMQSA-N 1 0 254.418 2.120 10 0 CEAERO Cc1noc(CN2C[C@H](C3CCCCC3)[NH2+]C[C@@H]2C)n1 ZINC000086260295 179259357 /nfs/dbraw/zinc/25/93/57/179259357.db2.gz ANSXANNCWMFMOP-SMDDNHRTSA-N 1 0 278.400 2.121 10 0 CEAERO CCC1(CC)CN(Cc2ccnc(C)n2)[C@@H](C)C[NH2+]1 ZINC000086260222 179259555 /nfs/dbraw/zinc/25/95/55/179259555.db2.gz UVLLVRZOODYDPU-LBPRGKRZSA-N 1 0 262.401 2.138 10 0 CEAERO Cc1cnc(CN2CC3(CCCCC3)[NH2+]C[C@H]2C)cn1 ZINC000086263074 179259699 /nfs/dbraw/zinc/25/96/99/179259699.db2.gz HLGGFQOQPMOLSN-CQSZACIVSA-N 1 0 274.412 2.282 10 0 CEAERO CC[C@H]1CN[C@](C)(C2CC2)C[N@@H+]1[C@@H]1CCC[C@@H]1OC ZINC000086261318 179260434 /nfs/dbraw/zinc/26/04/34/179260434.db2.gz REDORSUYUSGWAP-FZKCQIBNSA-N 1 0 266.429 2.406 10 0 CEAERO CC[C@@H]1CN(Cc2ccc(OC)nc2)[C@@H](CC)C[NH2+]1 ZINC000086263940 179260924 /nfs/dbraw/zinc/26/09/24/179260924.db2.gz WWXMZGWHOMMRNO-KGLIPLIRSA-N 1 0 263.385 2.053 10 0 CEAERO CC[C@@H]1C[NH2+]C(C)(C)CN1c1cnn(C(C)C)c1 ZINC000086263525 179261000 /nfs/dbraw/zinc/26/10/00/179261000.db2.gz VLJFPHCFGSXRMW-GFCCVEGCSA-N 1 0 250.390 2.431 10 0 CEAERO Cc1csc(CCN2C[C@@](C)(C3CC3)[NH2+]C[C@@H]2C)n1 ZINC000086264203 179261141 /nfs/dbraw/zinc/26/11/41/179261141.db2.gz DGAJQUROHONIJN-WFASDCNBSA-N 1 0 279.453 2.456 10 0 CEAERO COc1ccc(CN2C[C@@](C)(C3CC3)[NH2+]C[C@@H]2C)cn1 ZINC000086263896 179261357 /nfs/dbraw/zinc/26/13/57/179261357.db2.gz DYIUGBCMFYEFDA-LRDDRELGSA-N 1 0 275.396 2.053 10 0 CEAERO CC[C@@H]1CN[C@H](C2CC2)C[N@@H+]1C[C@@H](C)CSC ZINC000086266399 179261696 /nfs/dbraw/zinc/26/16/96/179261696.db2.gz GJQRNZBRXLNTAQ-BNOWGMLFSA-N 1 0 256.459 2.448 10 0 CEAERO C[C@@H]1C[NH2+]C2(CCCCC2)CN1[C@@H]1CCCOC1 ZINC000086265177 179261760 /nfs/dbraw/zinc/26/17/60/179261760.db2.gz ZGQFIOLYILGDRG-ZIAGYGMSSA-N 1 0 252.402 2.162 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1Nc1nc(Br)cs1 ZINC000086290741 179265513 /nfs/dbraw/zinc/26/55/13/179265513.db2.gz VGCNXQNZDUIXQU-WDSKDSINSA-N 1 0 262.176 2.197 10 0 CEAERO CC[C@@H]1CN[C@@H](C2CC2)C[N@@H+]1C[C@@H](C)CSC ZINC000086266401 179262133 /nfs/dbraw/zinc/26/21/33/179262133.db2.gz GJQRNZBRXLNTAQ-MRVWCRGKSA-N 1 0 256.459 2.448 10 0 CEAERO O[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000299975537 539565958 /nfs/dbraw/zinc/56/59/58/539565958.db2.gz CGWBWSOUFAOBOB-MGPQQGTHSA-N 1 0 253.386 2.371 10 0 CEAERO CC(C)[NH+]1CCN(c2nc(Br)cs2)CC1 ZINC000086279864 179263910 /nfs/dbraw/zinc/26/39/10/179263910.db2.gz KOOBLYMUNHAJLY-UHFFFAOYSA-N 1 0 290.230 2.436 10 0 CEAERO Cc1nc(CN2CCC[NH2+][C@H](C(C)C)C2)cs1 ZINC000086290012 179264086 /nfs/dbraw/zinc/26/40/86/179264086.db2.gz ZGDGARKQFPPRDP-ZDUSSCGKSA-N 1 0 253.415 2.271 10 0 CEAERO CCC[C@@H]1CN(Cc2cnc(C)s2)CCC[NH2+]1 ZINC000086289949 179264275 /nfs/dbraw/zinc/26/42/75/179264275.db2.gz NFGROUDQLDIFKR-GFCCVEGCSA-N 1 0 253.415 2.416 10 0 CEAERO c1cncc(CCN2CCC[NH2+]C3(CCCC3)C2)c1 ZINC000086288735 179264575 /nfs/dbraw/zinc/26/45/75/179264575.db2.gz HXLAXERJRZGYMY-UHFFFAOYSA-N 1 0 259.397 2.232 10 0 CEAERO CC(C)(C)[C@H]1CN(Cc2nccs2)CCC[NH2+]1 ZINC000086289982 179264636 /nfs/dbraw/zinc/26/46/36/179264636.db2.gz OIBCOPJGPNFBSX-LLVKDONJSA-N 1 0 253.415 2.353 10 0 CEAERO Cc1ncc(CN2CCC[NH2+][C@H](C3CC3)C2)s1 ZINC000086289960 179264746 /nfs/dbraw/zinc/26/47/46/179264746.db2.gz SCWAREJHIWDYNT-ZDUSSCGKSA-N 1 0 251.399 2.025 10 0 CEAERO CC[C@@H]1C[N@H+](CC[C@@H]2CCCO2)[C@H](C(C)C)CN1 ZINC000086258875 179256504 /nfs/dbraw/zinc/25/65/04/179256504.db2.gz BSAAMZGJKJBJFQ-ILXRZTDVSA-N 1 0 254.418 2.264 10 0 CEAERO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2CO)c(F)c1 ZINC000231311349 539567219 /nfs/dbraw/zinc/56/72/19/539567219.db2.gz PXROSVRJQSJLIV-DOMZBBRYSA-N 1 0 267.344 2.475 10 0 CEAERO Cc1cnc(CN2CCC[NH2+][C@H](c3ccccc3)C2)cn1 ZINC000086295523 179267811 /nfs/dbraw/zinc/26/78/11/179267811.db2.gz RIHSDJMHGJSYOZ-KRWDZBQOSA-N 1 0 282.391 2.322 10 0 CEAERO CCOC(=O)CC[C@H]([NH3+])Cc1ccc2ccccc2n1 ZINC000086317304 179269405 /nfs/dbraw/zinc/26/94/05/179269405.db2.gz HUHANGJCWZQTBH-ZDUSSCGKSA-N 1 0 272.348 2.448 10 0 CEAERO Clc1csc(C[NH2+]CCCc2nnc[nH]2)c1 ZINC000086332928 179273413 /nfs/dbraw/zinc/27/34/13/179273413.db2.gz SWMJALJNWDVWCM-UHFFFAOYSA-N 1 0 256.762 2.242 10 0 CEAERO Cn1cc(C[NH3+])c(-c2ccccc2Br)n1 ZINC000086443042 179293378 /nfs/dbraw/zinc/29/33/78/179293378.db2.gz HPWANQWLZNEZND-UHFFFAOYSA-N 1 0 266.142 2.308 10 0 CEAERO C[NH2+][C@@H]1CCCc2sc(N(C)CCCOC)nc21 ZINC000086444029 179293670 /nfs/dbraw/zinc/29/36/70/179293670.db2.gz VTAPHGCRDBPNKE-SNVBAGLBSA-N 1 0 269.414 2.213 10 0 CEAERO C[NH+](C)C[C@@H]1CCCN1c1nc2c(s1)CCC[C@@H]2O ZINC000086444740 179294955 /nfs/dbraw/zinc/29/49/55/179294955.db2.gz CZGKXKFNSBAJKD-QWRGUYRKSA-N 1 0 281.425 2.043 10 0 CEAERO CC(C)C[NH+]1CCN(c2nc3c(s2)CCC[C@H]3O)CC1 ZINC000086444737 179295034 /nfs/dbraw/zinc/29/50/34/179295034.db2.gz QVYDYEKDULZAQZ-GFCCVEGCSA-N 1 0 295.452 2.291 10 0 CEAERO CC[C@@H]1CN(C(=O)c2cccc(OC)c2O)[C@@H](CC)C[NH2+]1 ZINC000086445968 179295159 /nfs/dbraw/zinc/29/51/59/179295159.db2.gz QXHSZNOKVKKVBZ-NEPJUHHUSA-N 1 0 292.379 2.003 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)c1cccc(OC)c1 ZINC000086447285 179295334 /nfs/dbraw/zinc/29/53/34/179295334.db2.gz IJIQFDGLZUODKP-UONOGXRCSA-N 1 0 276.380 2.298 10 0 CEAERO CC[C@H]1CN(C(=O)c2ccc(C)o2)[C@@H](CC)C[NH2+]1 ZINC000086447340 179295608 /nfs/dbraw/zinc/29/56/08/179295608.db2.gz FKQAWYRHBJYMEK-RYUDHWBXSA-N 1 0 250.342 2.191 10 0 CEAERO CC[C@H]1CN(S(=O)(=O)C2CCCCC2)[C@@H](CC)C[NH2+]1 ZINC000086448541 179295612 /nfs/dbraw/zinc/29/56/12/179295612.db2.gz SQWXFDPWBDILHS-STQMWFEESA-N 1 0 288.457 2.111 10 0 CEAERO CC[C@@H]1C[NH+]=C(N)N1c1ccccc1Br ZINC000086474536 179300313 /nfs/dbraw/zinc/30/03/13/179300313.db2.gz CEIUOKBGYJLXCL-MRVPVSSYSA-N 1 0 268.158 2.362 10 0 CEAERO CC[C@H]1C[NH+]=C(N)N1c1ccc(Br)cc1 ZINC000086474552 179300393 /nfs/dbraw/zinc/30/03/93/179300393.db2.gz YKUJYASPWFYMFD-VIFPVBQESA-N 1 0 268.158 2.362 10 0 CEAERO c1ccc2c(c1)C[C@H]2c1noc(C[C@@H]2CCC[NH2+]C2)n1 ZINC000086486575 179301885 /nfs/dbraw/zinc/30/18/85/179301885.db2.gz OIFLQBMVJBBZQE-SMDDNHRTSA-N 1 0 269.348 2.300 10 0 CEAERO CCOc1cccc(C[NH2+]CCc2c[nH]cn2)c1OC ZINC000086507214 179302865 /nfs/dbraw/zinc/30/28/65/179302865.db2.gz PCSSJBXFNYKVJW-UHFFFAOYSA-N 1 0 275.352 2.149 10 0 CEAERO C[C@H]([NH2+]CC(C)(C)S(C)(=O)=O)c1cccs1 ZINC000086503448 179303268 /nfs/dbraw/zinc/30/32/68/179303268.db2.gz UDOUOUXZDRTLHG-VIFPVBQESA-N 1 0 261.412 2.222 10 0 CEAERO CCN1C(=[NH2+])NC[C@H]1c1ccc(Br)s1 ZINC000086459634 179296228 /nfs/dbraw/zinc/29/62/28/179296228.db2.gz XNBBPTDDLDRDRG-LURJTMIESA-N 1 0 274.187 2.202 10 0 CEAERO CC[C@@H]1CN(Cc2nc(CC(C)C)no2)[C@@H](CC)C[NH2+]1 ZINC000086464786 179296912 /nfs/dbraw/zinc/29/69/12/179296912.db2.gz GMTIRFPLELXZQY-OLZOCXBDSA-N 1 0 280.416 2.231 10 0 CEAERO C[C@@H]1CN(C(=O)c2ccccc2OC(F)F)[C@H](C)C[NH2+]1 ZINC000086467274 179297068 /nfs/dbraw/zinc/29/70/68/179297068.db2.gz LNZOQZQHMJEBJX-NXEZZACHSA-N 1 0 284.306 2.110 10 0 CEAERO C[NH2+][C@@H](COC)c1cscc1Br ZINC000086555077 179307188 /nfs/dbraw/zinc/30/71/88/179307188.db2.gz XFDSSEJVIPDKTQ-QMMMGPOBSA-N 1 0 250.161 2.418 10 0 CEAERO O[C@]1(c2cscc2Br)CCC[NH2+]C1 ZINC000086553669 179307198 /nfs/dbraw/zinc/30/71/98/179307198.db2.gz SFZHGRCSCVNRBI-SECBINFHSA-N 1 0 262.172 2.082 10 0 CEAERO COc1ccc2[nH]c([C@@]3(C(F)(F)F)CC[NH2+]C3)nc2c1 ZINC000086568336 179308153 /nfs/dbraw/zinc/30/81/53/179308153.db2.gz HCDNUGVVXPGUCK-GFCCVEGCSA-N 1 0 285.269 2.365 10 0 CEAERO COc1ccc([C@H]2[C@H](C[NH3+])OCCN2C(C)C)cc1Cl ZINC000086584989 179309204 /nfs/dbraw/zinc/30/92/04/179309204.db2.gz WCQPLYQIYCRRSX-GJZGRUSLSA-N 1 0 298.814 2.458 10 0 CEAERO COc1ccc([C@H](C[NH3+])N2CCOC[C@@H]2C)cc1Cl ZINC000086586485 179310054 /nfs/dbraw/zinc/31/00/54/179310054.db2.gz WJBKJOHDDSNARU-GWCFXTLKSA-N 1 0 284.787 2.069 10 0 CEAERO Cc1nn(C)c(Sc2nc(C)c(C)c(C)n2)c1C[NH3+] ZINC000086644094 179315949 /nfs/dbraw/zinc/31/59/49/179315949.db2.gz PYVDUDKLDVPNAW-UHFFFAOYSA-N 1 0 277.397 2.054 10 0 CEAERO Cc1nc(Sc2cccc(C(N)=[NH2+])n2)nc(C)c1C ZINC000086643818 179315598 /nfs/dbraw/zinc/31/55/98/179315598.db2.gz AKNFUAYQLGIJCB-UHFFFAOYSA-N 1 0 273.365 2.232 10 0 CEAERO CN(CC(C)(C)C[NH3+])c1ccc(Br)cn1 ZINC000086638644 179315343 /nfs/dbraw/zinc/31/53/43/179315343.db2.gz XYLUYDXANNTQHO-UHFFFAOYSA-N 1 0 272.190 2.265 10 0 CEAERO CC[NH2+][C@H](Cc1ccccc1)[C@H]1CN(C(C)C)CCO1 ZINC000086655227 179316672 /nfs/dbraw/zinc/31/66/72/179316672.db2.gz QWLJQNJLESQNFE-IAGOWNOFSA-N 1 0 276.424 2.316 10 0 CEAERO C[NH2+][C@](C)(CO)C[C@@H](C)Sc1nc(C)c(C)c(C)n1 ZINC000086646838 179316681 /nfs/dbraw/zinc/31/66/81/179316681.db2.gz ZEEQNLBRRQCZJV-OTYXRUKQSA-N 1 0 283.441 2.243 10 0 CEAERO C[C@H]([NH2+][C@H]1CCC[C@@H]1S(C)(=O)=O)c1cccc(O)c1 ZINC000086674625 179318458 /nfs/dbraw/zinc/31/84/58/179318458.db2.gz GJWGOMVWYVSPBD-BPNCWPANSA-N 1 0 283.393 2.009 10 0 CEAERO CS(=O)(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000086675888 179319633 /nfs/dbraw/zinc/31/96/33/179319633.db2.gz KHRQODUQSXQBCM-QWHCGFSZSA-N 1 0 287.812 2.395 10 0 CEAERO C[C@H]1CCC[C@@](C[NH3+])(OCCOCC(F)(F)F)C1 ZINC000086712507 179322698 /nfs/dbraw/zinc/32/26/98/179322698.db2.gz YPUDACUAISQKDY-WDEREUQCSA-N 1 0 269.307 2.490 10 0 CEAERO C[C@@H]1CCC[C@@](C[NH3+])(OCCOCC(F)(F)F)C1 ZINC000086712505 179322733 /nfs/dbraw/zinc/32/27/33/179322733.db2.gz YPUDACUAISQKDY-GHMZBOCLSA-N 1 0 269.307 2.490 10 0 CEAERO C[C@@H]1CCC[C@](C[NH3+])(OCCCn2ccnc2)C1 ZINC000086713017 179322771 /nfs/dbraw/zinc/32/27/71/179322771.db2.gz CONJNJPIQOJOQM-KGLIPLIRSA-N 1 0 251.374 2.197 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000128703914 187384902 /nfs/dbraw/zinc/38/49/02/187384902.db2.gz IZFPFTGPDLWUJC-UOVKNHIHSA-N 1 0 294.345 2.454 10 0 CEAERO CCC[N@@H+]1CCC[C@@H](Nc2ccc(C(N)=O)cc2)CC1 ZINC000086835255 179349686 /nfs/dbraw/zinc/34/96/86/179349686.db2.gz LNGXDXKKPJMDFB-CQSZACIVSA-N 1 0 275.396 2.462 10 0 CEAERO CCNC(=O)c1cccc(N[C@H]2CCC[N@H+](C)CC2)c1 ZINC000086817674 179346032 /nfs/dbraw/zinc/34/60/32/179346032.db2.gz CCDQUXKLVQPINL-AWEZNQCLSA-N 1 0 275.396 2.333 10 0 CEAERO COc1ccc(/C=C\C(=O)N2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000104013584 185882271 /nfs/dbraw/zinc/88/22/71/185882271.db2.gz JYFOMJXKMGNDDU-HSDQUADKSA-N 1 0 286.375 2.189 10 0 CEAERO COC(=O)[C@]1(NCC(C)C)CCC[N@@H+](C(C)C)CC1 ZINC000086850277 179357547 /nfs/dbraw/zinc/35/75/47/179357547.db2.gz VTIHSIXBOJKBNF-HNNXBMFYSA-N 1 0 270.417 2.038 10 0 CEAERO CCCC1(C(=O)[O-])CC[NH+]([C@H]2CCC[N@H+](C)CC2)CC1 ZINC000086834573 179349999 /nfs/dbraw/zinc/34/99/99/179349999.db2.gz QBIKLNVAIMJBPA-AWEZNQCLSA-N 1 0 282.428 2.438 10 0 CEAERO COC(=O)[C@@]1(Nc2ccccc2F)CCC[N@H+](C)CC1 ZINC000086833335 179350016 /nfs/dbraw/zinc/35/00/16/179350016.db2.gz NLGQZRDGBZAISH-OAHLLOKOSA-N 1 0 280.343 2.265 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NCc2cnc(C)s2)CC1 ZINC000086842560 179352560 /nfs/dbraw/zinc/35/25/60/179352560.db2.gz DBLAVTXMLJJJAV-GFCCVEGCSA-N 1 0 253.415 2.416 10 0 CEAERO CC(C)[N@@H+]1CCC[C@@H](Nc2ccc(=O)n(C)c2)CC1 ZINC000086841716 179353221 /nfs/dbraw/zinc/35/32/21/179353221.db2.gz BGZBEIUEONPFTM-CYBMUJFWSA-N 1 0 263.385 2.060 10 0 CEAERO CCn1cc(N[C@H]2CCC[N@H+](CC)CC2)ccc1=O ZINC000086841370 179353487 /nfs/dbraw/zinc/35/34/87/179353487.db2.gz GRUDNAGNDNSQEM-ZDUSSCGKSA-N 1 0 263.385 2.155 10 0 CEAERO CC[N@@H+]1CCC[C@@](N)(c2noc(C(C)(C)C)n2)CC1 ZINC000086851783 179359833 /nfs/dbraw/zinc/35/98/33/179359833.db2.gz DSWNRMCQSRIDGT-AWEZNQCLSA-N 1 0 266.389 2.027 10 0 CEAERO CCC[N@@H+]1CCC[C@@](CO)(NCc2ccccc2)CC1 ZINC000086867904 179360583 /nfs/dbraw/zinc/36/05/83/179360583.db2.gz FEBJQVFVHSXMDC-QGZVFWFLSA-N 1 0 276.424 2.403 10 0 CEAERO CCC[N@@H+]1CCC[C@H]([NH+]2CC[C@@](C)(C(=O)[O-])C2)CC1 ZINC000086869099 179361342 /nfs/dbraw/zinc/36/13/42/179361342.db2.gz LSMPNFOOGBGZQN-DZGCQCFKSA-N 1 0 268.401 2.048 10 0 CEAERO CC[N@@H+]1CCC[C@@H]([NH+]2CC[C@](CC)(C(=O)[O-])C2)CC1 ZINC000086869106 179361986 /nfs/dbraw/zinc/36/19/86/179361986.db2.gz CTRAUUOJDONARJ-HIFRSBDPSA-N 1 0 268.401 2.048 10 0 CEAERO CC(C)[N@@H+]1CCC[C@H]([NH+]2CCC[C@@](C)(C(=O)[O-])C2)CC1 ZINC000086869139 179362388 /nfs/dbraw/zinc/36/23/88/179362388.db2.gz IMWNFTNTWBNWNO-GOEBONIOSA-N 1 0 282.428 2.436 10 0 CEAERO CC[NH+](CC)CCn1cc(N[C@@H]2CCCOCC2)cn1 ZINC000086873874 179364522 /nfs/dbraw/zinc/36/45/22/179364522.db2.gz KMWOCSUMMGPWBA-CQSZACIVSA-N 1 0 280.416 2.206 10 0 CEAERO CN(Cc1cccs1)[C@]1(C[NH3+])CCCOCC1 ZINC000086874928 179364600 /nfs/dbraw/zinc/36/46/00/179364600.db2.gz YDEHACFLMLLHHH-CYBMUJFWSA-N 1 0 254.399 2.078 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC000086979059 179372379 /nfs/dbraw/zinc/37/23/79/179372379.db2.gz INFOTQPGXACCMX-ZDUSSCGKSA-N 1 0 291.363 2.050 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH3+])Cc1ccc(Cl)cc1 ZINC000086978603 179372393 /nfs/dbraw/zinc/37/23/93/179372393.db2.gz UIWWVYKRKOWXIV-ZDUSSCGKSA-N 1 0 289.828 2.425 10 0 CEAERO C[NH2+][C@H](Cc1csc(C)n1)[C@@H]1CSCCS1 ZINC000086985064 179373781 /nfs/dbraw/zinc/37/37/81/179373781.db2.gz AJZUOMMICQIFCN-MNOVXSKESA-N 1 0 274.480 2.431 10 0 CEAERO CCC[C@](C)(CCCS(=O)(=O)CC)C[NH2+]CCOC ZINC000086981079 179373283 /nfs/dbraw/zinc/37/32/83/179373283.db2.gz UDCVTJPFIAVOBY-CQSZACIVSA-N 1 0 293.473 2.244 10 0 CEAERO CC[C@H](C[NH3+])c1nc([C@H]2CSCCS2)no1 ZINC000086981552 179373427 /nfs/dbraw/zinc/37/34/27/179373427.db2.gz CRDKSONOIVNULI-HTQZYQBOSA-N 1 0 259.400 2.043 10 0 CEAERO COc1ccc(Br)cc1C=C1C[NH2+]C1 ZINC000086882091 179365474 /nfs/dbraw/zinc/36/54/74/179365474.db2.gz IQPGLKXHPPDMLH-UHFFFAOYSA-N 1 0 254.127 2.444 10 0 CEAERO COCC[NH2+][C@@]1(c2nc(C)cs2)CCCOCC1 ZINC000086877119 179365650 /nfs/dbraw/zinc/36/56/50/179365650.db2.gz NWNAIRHOGHURIG-ZDUSSCGKSA-N 1 0 270.398 2.083 10 0 CEAERO CCC[C@H]1CCC[C@@H]([NH2+]CCS(C)(=O)=O)CC1 ZINC000086943849 179367586 /nfs/dbraw/zinc/36/75/86/179367586.db2.gz KABBLCSQHPYDLR-QWHCGFSZSA-N 1 0 261.431 2.370 10 0 CEAERO C[C@H]1SCCC[C@@]1(CN)[N@@H+]1CCCSCC1 ZINC000086946179 179368172 /nfs/dbraw/zinc/36/81/72/179368172.db2.gz WRHSTFXUPKVLPJ-NEPJUHHUSA-N 1 0 260.472 2.038 10 0 CEAERO COc1ccc([C@@H](C[NH3+])N(C)Cc2ccccn2)cc1F ZINC000086983606 179373826 /nfs/dbraw/zinc/37/38/26/179373826.db2.gz LOPBWYZEFOOUDQ-OAHLLOKOSA-N 1 0 289.354 2.361 10 0 CEAERO COC(=O)[C@]1(N2CC[NH2+]CC2)CCC[C@H](C(C)(C)C)CC1 ZINC000086960108 179369447 /nfs/dbraw/zinc/36/94/47/179369447.db2.gz UOIRUZIFXUIVBI-YOEHRIQHSA-N 1 0 296.455 2.430 10 0 CEAERO Nc1ncc(Cl)cc1[C@H]([NH3+])[C@@H]1CSCCS1 ZINC000086983842 179373850 /nfs/dbraw/zinc/37/38/50/179373850.db2.gz DLYIBLNJKWHZTL-IUCAKERBSA-N 1 0 275.830 2.166 10 0 CEAERO CC[NH2+]C[C@@H](C)c1c(C)nc(CCCOC)nc1C ZINC000086971605 179370852 /nfs/dbraw/zinc/37/08/52/179370852.db2.gz SHYSWIPZAWGUPT-LLVKDONJSA-N 1 0 265.401 2.385 10 0 CEAERO CC[NH2+][C@@H](C)[C@H](c1nc(CCCOC)no1)C(C)C ZINC000086972012 179370876 /nfs/dbraw/zinc/37/08/76/179370876.db2.gz QNZULIPSQKXLNK-WCQYABFASA-N 1 0 269.389 2.386 10 0 CEAERO C[NH2+][C@H](CC1CCOCC1)[C@H]1CSCCS1 ZINC000086984894 179373739 /nfs/dbraw/zinc/37/37/39/179373739.db2.gz XEHKSQDRBQNQQS-VXGBXAGGSA-N 1 0 261.456 2.240 10 0 CEAERO CCS(=O)(=O)CCCOc1cc(C)ccc1[C@H](C)[NH2+]C ZINC000086973111 179371248 /nfs/dbraw/zinc/37/12/48/179371248.db2.gz XJIOGVLNYIIRRZ-ZDUSSCGKSA-N 1 0 299.436 2.479 10 0 CEAERO CC[C@@H]1CC[C@H]([NH2+]CCCS(=O)(=O)CC)[C@@H]1C ZINC000086974606 179372086 /nfs/dbraw/zinc/37/20/86/179372086.db2.gz FGJIASXTDIOJMH-UPJWGTAASA-N 1 0 261.431 2.226 10 0 CEAERO CC[C@](C)(O)C[NH2+]CC(=O)Nc1ccccc1Cl ZINC000087027956 179381991 /nfs/dbraw/zinc/38/19/91/179381991.db2.gz YKGIQWFXGIELRQ-ZDUSSCGKSA-N 1 0 270.760 2.029 10 0 CEAERO CC[C@@](C)(O)C[NH2+]C1CCN(CC=C(C)C)CC1 ZINC000087011839 179379195 /nfs/dbraw/zinc/37/91/95/179379195.db2.gz QNCXAJFPANARNX-OAHLLOKOSA-N 1 0 254.418 2.168 10 0 CEAERO CC[C@](C)(O)C[NH2+]Cc1cc2c(c(Cl)c1)OCO2 ZINC000087012760 179379605 /nfs/dbraw/zinc/37/96/05/179379605.db2.gz QYZKPNHZMLCFPI-ZDUSSCGKSA-N 1 0 271.744 2.319 10 0 CEAERO [NH3+][C@@H](CCC(=O)NCC1(O)CCCCC1)c1ccccc1 ZINC000087027548 179381714 /nfs/dbraw/zinc/38/17/14/179381714.db2.gz ZBHCQJOJBRINRV-HNNXBMFYSA-N 1 0 290.407 2.278 10 0 CEAERO CC(C)[NH2+]Cc1csc([C@@H]2CSCCO2)n1 ZINC000086989917 179374383 /nfs/dbraw/zinc/37/43/83/179374383.db2.gz SZXGPZABRFPWGN-JTQLQIEISA-N 1 0 258.412 2.446 10 0 CEAERO COc1ccc([C@H](C[NH3+])N2C[C@@H](C)OC(C)(C)C2)cc1F ZINC000086991998 179375094 /nfs/dbraw/zinc/37/50/94/179375094.db2.gz PSSIFJGTHKIOGD-RISCZKNCSA-N 1 0 296.386 2.333 10 0 CEAERO C[NH2+]C1CCC(NC(=O)c2c(F)cc(F)cc2F)CC1 ZINC000086996211 179376707 /nfs/dbraw/zinc/37/67/07/179376707.db2.gz RXOHSQLILXHCEB-UHFFFAOYSA-N 1 0 286.297 2.364 10 0 CEAERO O=C(N[C@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1c(F)cc(F)cc1F ZINC000086996242 179376708 /nfs/dbraw/zinc/37/67/08/179376708.db2.gz AHHQOCPZKKONHE-NGZCFLSTSA-N 1 0 298.308 2.222 10 0 CEAERO CCCN(CCC[NH3+])C(=O)c1c(F)cc(F)cc1F ZINC000086995693 179376893 /nfs/dbraw/zinc/37/68/93/179376893.db2.gz ARBQBGYXVSOHSS-UHFFFAOYSA-N 1 0 274.286 2.305 10 0 CEAERO C[NH2+]C(C)(C)C(=O)Nc1cc(Br)ccc1O ZINC000087049220 179388839 /nfs/dbraw/zinc/38/88/39/179388839.db2.gz QOPUMFPWXMYXRL-UHFFFAOYSA-N 1 0 287.157 2.091 10 0 CEAERO CCC1CCC(O)(C[NH2+][C@@H](C)c2nccn2C)CC1 ZINC000087053491 179388930 /nfs/dbraw/zinc/38/89/30/179388930.db2.gz KVVPRJOZUUKTJK-OPFPJEHXSA-N 1 0 265.401 2.402 10 0 CEAERO CC[C@@H]1C[NH2+]C[C@@H](c2cc(OC)c(OC)cc2OC)O1 ZINC000087090212 179394443 /nfs/dbraw/zinc/39/44/43/179394443.db2.gz ARUPHGAXQKWUSV-BMIGLBTASA-N 1 0 281.352 2.152 10 0 CEAERO CCSCc1noc([C@@]2(C(F)(F)F)CC[NH2+]C2)n1 ZINC000087105361 179394631 /nfs/dbraw/zinc/39/46/31/179394631.db2.gz CIFZMWQARFFMCR-SECBINFHSA-N 1 0 281.303 2.116 10 0 CEAERO CC1CCC(O)(C[NH2+]C[C@@H](O)c2ccccc2F)CC1 ZINC000087062572 179389676 /nfs/dbraw/zinc/38/96/76/179389676.db2.gz KLWWNTSDCRXZSR-DSSZZKGTSA-N 1 0 281.371 2.390 10 0 CEAERO C[NH2+][C@@H](Cc1nc(CSC(C)C)no1)C1CC1 ZINC000087115062 179395470 /nfs/dbraw/zinc/39/54/70/179395470.db2.gz MDHKJMJNTSLYLI-JTQLQIEISA-N 1 0 255.387 2.252 10 0 CEAERO Cc1cccc(NC(=O)C[NH2+]C[C@]2(O)CCC[C@H](C)C2)c1 ZINC000087065326 179390379 /nfs/dbraw/zinc/39/03/79/179390379.db2.gz UIWDMFCSQPULGZ-YOEHRIQHSA-N 1 0 290.407 2.464 10 0 CEAERO C[C@H]1CCC[C@@](O)(C[NH2+]CCOCC(F)(F)F)C1 ZINC000087064887 179390461 /nfs/dbraw/zinc/39/04/61/179390461.db2.gz MLOOVSVBVAMQIB-QWRGUYRKSA-N 1 0 269.307 2.096 10 0 CEAERO CCC1CCC(O)(CNC(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000087070197 179391359 /nfs/dbraw/zinc/39/13/59/179391359.db2.gz SVIAJRUMJMCZES-CKDBGZEDSA-N 1 0 296.455 2.214 10 0 CEAERO CCC1CCC(O)(CNC(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000087070174 179391571 /nfs/dbraw/zinc/39/15/71/179391571.db2.gz RTSKFIUNAUBLHP-UHFFFAOYSA-N 1 0 290.407 2.206 10 0 CEAERO CC[C@@H]1C[NH2+]C[C@@H](c2c(OC)cc(OC)cc2OC)O1 ZINC000087090292 179393977 /nfs/dbraw/zinc/39/39/77/179393977.db2.gz NTEWABMSCCUHBF-YGRLFVJLSA-N 1 0 281.352 2.152 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH3+])CSC1CCCC1 ZINC000087143940 179397255 /nfs/dbraw/zinc/39/72/55/179397255.db2.gz OEZZGLVBQRIRPR-LLVKDONJSA-N 1 0 279.471 2.204 10 0 CEAERO CC[C@H](C)SCc1ncc(C[NH2+]CCOC)cn1 ZINC000087140048 179397297 /nfs/dbraw/zinc/39/72/97/179397297.db2.gz ZLIFZQHSRULZPO-NSHDSACASA-N 1 0 269.414 2.244 10 0 CEAERO OC1(Cc2ccc(OC(F)(F)F)cc2)CC[NH2+]CC1 ZINC000087166258 179398776 /nfs/dbraw/zinc/39/87/76/179398776.db2.gz YBWKLNVBFPZYGD-UHFFFAOYSA-N 1 0 275.270 2.242 10 0 CEAERO O[C@]1(Cc2ccc(C(F)(F)F)cc2)CCC[NH2+]C1 ZINC000087172533 179399266 /nfs/dbraw/zinc/39/92/66/179399266.db2.gz GTMMQXXHVFPGIS-LBPRGKRZSA-N 1 0 259.271 2.362 10 0 CEAERO Cc1oc(C)c(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])c1C ZINC000087188262 179399966 /nfs/dbraw/zinc/39/99/66/179399966.db2.gz BUCUACZNFRKIJB-NWDGAFQWSA-N 1 0 250.342 2.062 10 0 CEAERO C[C@@H]1CN(C(=O)c2ccc3sccc3c2)C[C@H]1[NH3+] ZINC000335598858 212311297 /nfs/dbraw/zinc/31/12/97/212311297.db2.gz YIIYFRVFQKRAJX-BXKDBHETSA-N 1 0 260.362 2.321 10 0 CEAERO C[NH2+]Cc1cccc(Br)c1O[C@H](C)[C@H](C)O ZINC000087125548 179396130 /nfs/dbraw/zinc/39/61/30/179396130.db2.gz VNGSFFKVMARKNU-DTWKUNHWSA-N 1 0 288.185 2.317 10 0 CEAERO CCS(=O)(=O)CCCC1=C[C@@H]([NH3+])CC(C)(C)C1 ZINC000087322646 179412810 /nfs/dbraw/zinc/41/28/10/179412810.db2.gz RPSYNHVDLAMWOO-GFCCVEGCSA-N 1 0 259.415 2.275 10 0 CEAERO CC[NH2+]CCc1c(C)nn(CCCOCC)c1C ZINC000087326874 179412990 /nfs/dbraw/zinc/41/29/90/179412990.db2.gz SKKQKFRVZVFQKA-UHFFFAOYSA-N 1 0 253.390 2.079 10 0 CEAERO CCOCCCOc1cc(OC)ccc1C[C@@H](C)[NH3+] ZINC000087326123 179413034 /nfs/dbraw/zinc/41/30/34/179413034.db2.gz DRMKPKDQIBOPAT-GFCCVEGCSA-N 1 0 267.369 2.390 10 0 CEAERO Cc1csc(C[C@@H]([NH3+])[C@H]2CSCCS2)n1 ZINC000087395608 179419556 /nfs/dbraw/zinc/41/95/56/179419556.db2.gz MBHGXLRHNXVETQ-RKDXNWHRSA-N 1 0 260.453 2.170 10 0 CEAERO Cc1ccc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)c(C)n1 ZINC000128886510 187396547 /nfs/dbraw/zinc/39/65/47/187396547.db2.gz GAKAIYOUXCIWDF-CQSZACIVSA-N 1 0 277.412 2.405 10 0 CEAERO NC(=[NH2+])SCc1nnc(-c2ccc(F)cc2)o1 ZINC000087464267 179428991 /nfs/dbraw/zinc/42/89/91/179428991.db2.gz JSVPGTXVRSZJSR-UHFFFAOYSA-N 1 0 252.274 2.002 10 0 CEAERO C[NH2+][C@H]1CCCCC[C@H]1c1nc(-c2ccn(C)n2)no1 ZINC000087426704 179424592 /nfs/dbraw/zinc/42/45/92/179424592.db2.gz CMNLCQGEEXMSHW-MNOVXSKESA-N 1 0 275.356 2.106 10 0 CEAERO C[C@H](CCc1ccco1)NC(=O)C(C)(C)C(C)(C)[NH3+] ZINC000087628871 179459220 /nfs/dbraw/zinc/45/92/20/179459220.db2.gz PRBXTPGXUUBTLI-LLVKDONJSA-N 1 0 266.385 2.480 10 0 CEAERO [NH3+][C@@H]1CC[C@@](O)(Cc2ccccc2Br)C1 ZINC000087654440 179464428 /nfs/dbraw/zinc/46/44/28/179464428.db2.gz KQPRNOGEMWHOJI-ZYHUDNBSSA-N 1 0 270.170 2.234 10 0 CEAERO Cc1nc([C@@H]2CCCO2)nc(C)c1CC[NH2+]C1CC1 ZINC000087803442 179488156 /nfs/dbraw/zinc/48/81/56/179488156.db2.gz OBHFAJRXPMIXNW-AWEZNQCLSA-N 1 0 261.369 2.239 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N(CC)CCc1ccccc1 ZINC000087526493 179441429 /nfs/dbraw/zinc/44/14/29/179441429.db2.gz USSHIXCSOFSTBD-OAHLLOKOSA-N 1 0 262.397 2.453 10 0 CEAERO C[NH2+][C@@H](C)CNCc1sccc1Br ZINC000087575921 179448212 /nfs/dbraw/zinc/44/82/12/179448212.db2.gz HUPBDKMPFIQIIQ-ZETCQYMHSA-N 1 0 263.204 2.208 10 0 CEAERO C[NH2+]C1(CC(=O)N(C)c2ccccn2)CCCCC1 ZINC000087576768 179448225 /nfs/dbraw/zinc/44/82/25/179448225.db2.gz QUQKVBDTNGRGDM-UHFFFAOYSA-N 1 0 261.369 2.357 10 0 CEAERO [NH3+]CCN1CCCC[C@@H](c2cnnc3ccccc32)C1 ZINC000616627396 348539311 /nfs/dbraw/zinc/53/93/11/348539311.db2.gz ARIYHNZGWZOQDB-CYBMUJFWSA-N 1 0 270.380 2.158 10 0 CEAERO CC[N@@H+]1CCCOC[C@@H]1CCNC(=O)OC(C)(C)C ZINC000616644661 348545345 /nfs/dbraw/zinc/54/53/45/348545345.db2.gz BWRUBAUHVLPZNL-LBPRGKRZSA-N 1 0 272.389 2.012 10 0 CEAERO CC(C)(C)OC(=O)NCC[C@@H]1C[N@@H+](C(C)(C)C)CCO1 ZINC000616649444 348546765 /nfs/dbraw/zinc/54/67/65/348546765.db2.gz UDYZCYBXHJBNKH-GFCCVEGCSA-N 1 0 286.416 2.401 10 0 CEAERO CC[N@@H+]1CCCO[C@H](c2cccc3nnccc32)C1 ZINC000616649412 348547167 /nfs/dbraw/zinc/54/71/67/348547167.db2.gz INTMQBDEQSBIDO-HNNXBMFYSA-N 1 0 257.337 2.413 10 0 CEAERO CC(C)[N@@H+]1CCOC[C@@H](c2cccc(CCO)c2)C1 ZINC000616660738 348552199 /nfs/dbraw/zinc/55/21/99/348552199.db2.gz OCBAVWHIWGTXII-INIZCTEOSA-N 1 0 263.381 2.046 10 0 CEAERO C[NH2+][C@@H](Cc1c(C)cc(C)cc1C)[C@@H]1COCCO1 ZINC000087857499 179502510 /nfs/dbraw/zinc/50/25/10/179502510.db2.gz GDWMBNDXYJVEDZ-HOTGVXAUSA-N 1 0 263.381 2.158 10 0 CEAERO C[NH2+]Cc1cnc([C@H]2COc3ccccc3O2)s1 ZINC000087860217 179503486 /nfs/dbraw/zinc/50/34/86/179503486.db2.gz ZENMGUYVZCWXHI-GFCCVEGCSA-N 1 0 262.334 2.375 10 0 CEAERO Cc1cc(C)nc(-n2ncc3c2CC(C)(C)C[C@H]3[NH3+])n1 ZINC000087861966 179504695 /nfs/dbraw/zinc/50/46/95/179504695.db2.gz COUNHGJRZQCGFH-GFCCVEGCSA-N 1 0 271.368 2.251 10 0 CEAERO Nc1cccc([C@@H]2CNc3ccccc3N2CC[NH3+])c1 ZINC000616583305 348525933 /nfs/dbraw/zinc/52/59/33/348525933.db2.gz BZUMSFNALJPCEQ-INIZCTEOSA-N 1 0 268.364 2.201 10 0 CEAERO CCCCN(c1cc(C)[nH+]c(NN)n1)[C@@H](C)CC ZINC000087866800 179505665 /nfs/dbraw/zinc/50/56/65/179505665.db2.gz RIMZULHLYNOCBU-NSHDSACASA-N 1 0 251.378 2.476 10 0 CEAERO CCOC(=O)N1CC[NH2+]C[C@@H]1c1cccc2ncccc21 ZINC000616601557 348531310 /nfs/dbraw/zinc/53/13/10/348531310.db2.gz HYJOSTLABZDEBO-OAHLLOKOSA-N 1 0 285.347 2.338 10 0 CEAERO CCOC(=O)N1CC[NH2+]C[C@@H]1c1cccc2cnccc21 ZINC000616602786 348531717 /nfs/dbraw/zinc/53/17/17/348531717.db2.gz NGRRXRNDCFLHCE-OAHLLOKOSA-N 1 0 285.347 2.338 10 0 CEAERO CC(=O)Nc1ccccc1[C@H]1CCCC[N@H+](CCO)C1 ZINC000616603932 348531972 /nfs/dbraw/zinc/53/19/72/348531972.db2.gz KGNVPBCLEZMSGS-AWEZNQCLSA-N 1 0 276.380 2.207 10 0 CEAERO CC(C)(C)[N@@H+]1CCOC[C@H](c2ccc(CCO)cc2)C1 ZINC000616659410 348551293 /nfs/dbraw/zinc/55/12/93/348551293.db2.gz JTIPISRBPXMZGO-MRXNPFEDSA-N 1 0 277.408 2.436 10 0 CEAERO Cc1nc(Nc2ccc(F)cc2F)cc(NN)[nH+]1 ZINC000087896893 179515759 /nfs/dbraw/zinc/51/57/59/179515759.db2.gz WNKNFTROMGQGBB-UHFFFAOYSA-N 1 0 251.240 2.092 10 0 CEAERO Cc1cc(NCc2ccccc2Cl)nc(NN)[nH+]1 ZINC000087904754 179516441 /nfs/dbraw/zinc/51/64/41/179516441.db2.gz OBSRICQBAZJALX-UHFFFAOYSA-N 1 0 263.732 2.336 10 0 CEAERO C[NH2+][C@@H](c1ccnn1C)[C@H]1CCOc2ccccc21 ZINC000088020119 179536855 /nfs/dbraw/zinc/53/68/55/179536855.db2.gz WCMMISABIOKGRB-SWLSCSKDSA-N 1 0 257.337 2.247 10 0 CEAERO CCOC(=O)C[C@@H](c1ccccc1F)N1CC[NH+](C)CC1 ZINC000088045942 179540034 /nfs/dbraw/zinc/54/00/34/179540034.db2.gz OYQQHIBFPPZPGE-HNNXBMFYSA-N 1 0 294.370 2.067 10 0 CEAERO COc1cccc(F)c1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000088081054 179545131 /nfs/dbraw/zinc/54/51/31/179545131.db2.gz TXEVADQTYUSJPU-FOSCPWQOSA-N 1 0 292.354 2.189 10 0 CEAERO COc1cccc(F)c1[C@@H]([NH3+])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000088080067 179545283 /nfs/dbraw/zinc/54/52/83/179545283.db2.gz UADKSVNOWMLSOH-AWEZNQCLSA-N 1 0 287.294 2.052 10 0 CEAERO c1cc(CC[NH2+]C[C@H]2CCCCO2)cc2c1OCC2 ZINC000088101678 179547602 /nfs/dbraw/zinc/54/76/02/179547602.db2.gz MSBGBVRQMDESTK-OAHLLOKOSA-N 1 0 261.365 2.323 10 0 CEAERO CC[NH+]1CCC(O)(CCc2ccc(OC)cc2)CC1 ZINC000088103259 179548519 /nfs/dbraw/zinc/54/85/19/179548519.db2.gz CVBZWJIWNJLYGG-UHFFFAOYSA-N 1 0 263.381 2.475 10 0 CEAERO O=C(Nc1c2nsnc2ccc1Cl)C1CC[NH2+]CC1 ZINC000088126448 179552720 /nfs/dbraw/zinc/55/27/20/179552720.db2.gz ROJPMHKTQFGEJH-UHFFFAOYSA-N 1 0 296.783 2.283 10 0 CEAERO COc1ccc(C[NH3+])c(-n2cc(Br)cn2)c1 ZINC000088128087 179552925 /nfs/dbraw/zinc/55/29/25/179552925.db2.gz ZJXYDGVEKJBXPX-UHFFFAOYSA-N 1 0 282.141 2.102 10 0 CEAERO Cc1ccnc(Cl)c1NC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000088189055 179561668 /nfs/dbraw/zinc/56/16/68/179561668.db2.gz FMSYLFCQUCZUHC-CYBMUJFWSA-N 1 0 267.760 2.372 10 0 CEAERO c1cnn([C@H]2CC[N@H+](Cc3ccccc3)CCO2)c1 ZINC000616662989 348553562 /nfs/dbraw/zinc/55/35/62/348553562.db2.gz NPUJBCKLENEBNH-OAHLLOKOSA-N 1 0 257.337 2.304 10 0 CEAERO COc1ccc2nc([C@@H](C[NH3+])c3ccccc3)[nH]c2n1 ZINC000088192831 179562672 /nfs/dbraw/zinc/56/26/72/179562672.db2.gz LIVVOSRMBUGNFB-NSHDSACASA-N 1 0 268.320 2.057 10 0 CEAERO c1n[nH]cc1[C@@H]1CC[N@H+](Cc2ccccc2)CCO1 ZINC000616664987 348554355 /nfs/dbraw/zinc/55/43/55/348554355.db2.gz ZUESGHBAAMEVHU-HNNXBMFYSA-N 1 0 257.337 2.373 10 0 CEAERO [NH3+]CCN1C[C@H](c2cccc(CO)c2)Cc2ccccc21 ZINC000616672918 348556840 /nfs/dbraw/zinc/55/68/40/348556840.db2.gz QCMIGRCHALAFEL-QGZVFWFLSA-N 1 0 282.387 2.284 10 0 CEAERO Nc1ccc([C@H]2c3ccccc3CCN2CC[NH3+])cc1 ZINC000616679306 348558015 /nfs/dbraw/zinc/55/80/15/348558015.db2.gz TYCAXEDTWQUBBJ-KRWDZBQOSA-N 1 0 267.376 2.175 10 0 CEAERO CC(C)[N@@H+]1CCO[C@H](N(C)C(=O)OC(C)(C)C)CC1 ZINC000616687289 348560568 /nfs/dbraw/zinc/56/05/68/348560568.db2.gz SCZPOHPTQMBQRU-LBPRGKRZSA-N 1 0 272.389 2.310 10 0 CEAERO Cc1nn(C)c(N(C)CCc2ccccc2)c1C[C@H](C)[NH3+] ZINC000088243783 179569180 /nfs/dbraw/zinc/56/91/80/179569180.db2.gz QETMZDSQAICGSW-ZDUSSCGKSA-N 1 0 286.423 2.297 10 0 CEAERO CC[C@@H](C[NH3+])Cc1nnc2ccc(Br)cn21 ZINC000087981659 179530945 /nfs/dbraw/zinc/53/09/45/179530945.db2.gz QFNWYLBVLDNSCQ-MRVPVSSYSA-N 1 0 283.173 2.019 10 0 CEAERO CC[C@H]1CC[C@H](c2noc(CN3CCC[NH2+]CC3)n2)C1 ZINC000087995953 179531709 /nfs/dbraw/zinc/53/17/09/179531709.db2.gz SRYXEOPPBQPHMS-STQMWFEESA-N 1 0 278.400 2.159 10 0 CEAERO CCC[NH2+][C@H](CCO)CN1CCC[C@H](C(F)(F)F)C1 ZINC000088419254 179597007 /nfs/dbraw/zinc/59/70/07/179597007.db2.gz XKLLGHGATMZNKO-NWDGAFQWSA-N 1 0 282.350 2.011 10 0 CEAERO O[C@@H]1CCC[C@H]1C[NH+]1CCC(C(F)(F)F)CC1 ZINC000088437100 179601890 /nfs/dbraw/zinc/60/18/90/179601890.db2.gz ARRLZPFIHOUXKX-GXSJLCMTSA-N 1 0 251.292 2.422 10 0 CEAERO Cc1c(F)cccc1NC(=O)[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000088450604 179606183 /nfs/dbraw/zinc/60/61/83/179606183.db2.gz NEBLFBGMSRRVBJ-ONGXEEELSA-N 1 0 250.317 2.318 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C(=O)N2CCC(C(F)(F)F)CC2)C1 ZINC000088451462 179606839 /nfs/dbraw/zinc/60/68/39/179606839.db2.gz DAXPDJNNQZJBAG-NXEZZACHSA-N 1 0 278.318 2.033 10 0 CEAERO C[NH2+]C[C@]1(CN2CCCCc3ccccc32)CCOC1 ZINC000088335405 179579428 /nfs/dbraw/zinc/57/94/28/179579428.db2.gz XOJLCSCUIGDZPB-KRWDZBQOSA-N 1 0 274.408 2.455 10 0 CEAERO c1cncc(O[C@H]2CC[N@@H+](CC[C@H]3CCCO3)C2)c1 ZINC000249284601 539657629 /nfs/dbraw/zinc/65/76/29/539657629.db2.gz LJYHTKKRWKVLJM-HIFRSBDPSA-N 1 0 262.353 2.104 10 0 CEAERO CCN1C(=O)CCC[C@@H]([NH3+])[C@@H]1c1cccc(COC)c1 ZINC000088553316 179622212 /nfs/dbraw/zinc/62/22/12/179622212.db2.gz VKSDSEPPZXFZLN-ZBFHGGJFSA-N 1 0 276.380 2.234 10 0 CEAERO CCC[NH2+][C@H](Cc1ncnn1C)Cc1cccc(C)c1 ZINC000088581949 179629188 /nfs/dbraw/zinc/62/91/88/179629188.db2.gz JIJRVDWRNSPRBJ-HNNXBMFYSA-N 1 0 272.396 2.277 10 0 CEAERO CCC[NH2+][C@H](CC)c1c(C)nn(Cc2ncnn2C)c1C ZINC000088583338 179630095 /nfs/dbraw/zinc/63/00/95/179630095.db2.gz XUJNWZJCQGCDRR-CYBMUJFWSA-N 1 0 290.415 2.127 10 0 CEAERO CCCn1ncnc1COc1ccc(C[NH2+]CC)cc1 ZINC000088585400 179631263 /nfs/dbraw/zinc/63/12/63/179631263.db2.gz KIMZLIJFHZFLLJ-UHFFFAOYSA-N 1 0 274.368 2.377 10 0 CEAERO C[C@@H]1CC[C@@H](C)N(C(=O)COc2ccc(C[NH3+])cc2)C1 ZINC000088701810 179652377 /nfs/dbraw/zinc/65/23/77/179652377.db2.gz RJJUXJUPKOUPJP-CHWSQXEVSA-N 1 0 276.380 2.171 10 0 CEAERO CCn1ncnc1C[C@@](C)([NH3+])c1ccc(Cl)cc1 ZINC000088606962 179636635 /nfs/dbraw/zinc/63/66/35/179636635.db2.gz JDJCPDVWUTZPOY-CYBMUJFWSA-N 1 0 264.760 2.368 10 0 CEAERO CCC[NH2+][C@@H](COc1ccccc1)Cc1ncnn1CC ZINC000088611822 179638745 /nfs/dbraw/zinc/63/87/45/179638745.db2.gz HKDBLCVNIGPQNC-CQSZACIVSA-N 1 0 288.395 2.288 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccc(OCc2ncnn2CC)cc1 ZINC000088617401 179640272 /nfs/dbraw/zinc/64/02/72/179640272.db2.gz UAUCTOFLZPPSMH-CYBMUJFWSA-N 1 0 274.368 2.157 10 0 CEAERO CC[C@](C)(C[NH2+]CCOC)Cc1ncnn1C(C)C ZINC000088621518 179641184 /nfs/dbraw/zinc/64/11/84/179641184.db2.gz PZPKOIXAJQDFGE-AWEZNQCLSA-N 1 0 268.405 2.054 10 0 CEAERO CC(C)Cn1ncnc1C[C@H]1CCCC[C@@H]([NH3+])C1 ZINC000088623963 179641865 /nfs/dbraw/zinc/64/18/65/179641865.db2.gz QMYJVZIYRYVVIG-QWHCGFSZSA-N 1 0 250.390 2.384 10 0 CEAERO CC(C)Cn1ncnc1CN1CC[NH2+]C2(CCCCC2)C1 ZINC000088624808 179641890 /nfs/dbraw/zinc/64/18/90/179641890.db2.gz UQCTUCOYKSIFGG-UHFFFAOYSA-N 1 0 291.443 2.042 10 0 CEAERO CCCn1ncnc1C[C@]1(C[NH3+])CCC[C@H](C)C1 ZINC000088626822 179642876 /nfs/dbraw/zinc/64/28/76/179642876.db2.gz VGCIRWJEQFZBFO-JSGCOSHPSA-N 1 0 250.390 2.386 10 0 CEAERO CCCn1ncnc1C[C@@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000088626825 179642914 /nfs/dbraw/zinc/64/29/14/179642914.db2.gz VGCIRWJEQFZBFO-TZMCWYRMSA-N 1 0 250.390 2.386 10 0 CEAERO CC(C)C[C@@H]1CN(Cc2ncnn2CC(C)C)CCC[NH2+]1 ZINC000088625838 179642953 /nfs/dbraw/zinc/64/29/53/179642953.db2.gz IGBVGFHHKVLEMJ-OAHLLOKOSA-N 1 0 293.459 2.144 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H](C(=O)N[C@@H]2CCCCC[C@@H]2C)C1 ZINC000088515975 179616181 /nfs/dbraw/zinc/61/61/81/179616181.db2.gz NHMHOHBIOZSVIQ-IGQOVBAYSA-N 1 0 252.402 2.317 10 0 CEAERO C[NH2+][C@H](Cc1ccncc1)[C@H]1COc2ccccc2O1 ZINC000088531012 179618973 /nfs/dbraw/zinc/61/89/73/179618973.db2.gz CZIOCJUIZKPUSK-CZUORRHYSA-N 1 0 270.332 2.052 10 0 CEAERO CC[NH2+][C@@H](Cc1ccccn1)[C@H]1COc2ccccc2O1 ZINC000088531015 179619145 /nfs/dbraw/zinc/61/91/45/179619145.db2.gz KCDAAAYXRURMQS-WMLDXEAASA-N 1 0 284.359 2.442 10 0 CEAERO CCC[NH2+][C@@H]1CCC[C@@H]1n1nc(CC)nc1CC ZINC000088740616 179662093 /nfs/dbraw/zinc/66/20/93/179662093.db2.gz KJRNEHBIBAUFDV-NEPJUHHUSA-N 1 0 250.390 2.496 10 0 CEAERO CCc1nc(CC)n(C[C@@H](C(N)=[NH2+])c2ccccc2)n1 ZINC000088741762 179663035 /nfs/dbraw/zinc/66/30/35/179663035.db2.gz JIIZSUDIIWNYAM-GFCCVEGCSA-N 1 0 271.368 2.123 10 0 CEAERO CCc1nc(CC)n(C[C@H]2CC[C@@H](C[NH2+]CC(C)C)O2)n1 ZINC000088744240 179663575 /nfs/dbraw/zinc/66/35/75/179663575.db2.gz DSJLWECSMFSUHL-UONOGXRCSA-N 1 0 294.443 2.196 10 0 CEAERO CC(C)(C)OC(=O)N1CC([NH2+][C@H]2CC=CCC2)C1 ZINC000088746970 179663623 /nfs/dbraw/zinc/66/36/23/179663623.db2.gz ZUPRZLOCNLOXLV-NSHDSACASA-N 1 0 252.358 2.304 10 0 CEAERO COc1cccc(NC(=O)C[NH2+][C@H]2CC=CCC2)c1 ZINC000088748430 179664313 /nfs/dbraw/zinc/66/43/13/179664313.db2.gz GNILBLGWGMFZMB-LBPRGKRZSA-N 1 0 260.337 2.332 10 0 CEAERO CCC[NH2+]CCCc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000088977022 179689514 /nfs/dbraw/zinc/68/95/14/179689514.db2.gz KJDIXCGCFKMZLG-UHFFFAOYSA-N 1 0 298.452 2.306 10 0 CEAERO C[NH2+]CCc1ccc(S(=O)(=O)N(C)CCC(C)C)cc1 ZINC000088991436 179690490 /nfs/dbraw/zinc/69/04/90/179690490.db2.gz CIFIONLCUHZTTM-UHFFFAOYSA-N 1 0 298.452 2.115 10 0 CEAERO CC[NH2+]CCCCS(=O)(=O)N(C)[C@H](C)CC(C)C ZINC000089004951 179690987 /nfs/dbraw/zinc/69/09/87/179690987.db2.gz CDDGDEZJRAOMGZ-CYBMUJFWSA-N 1 0 278.462 2.072 10 0 CEAERO CC[NH2+]CCCS(=O)(=O)N(C)C1CCC(CC)CC1 ZINC000088996573 179691321 /nfs/dbraw/zinc/69/13/21/179691321.db2.gz CXOHMMHPDFGKFO-UHFFFAOYSA-N 1 0 290.473 2.216 10 0 CEAERO CCc1ccc(N(C)S(=O)(=O)[C@@H](C)C[NH2+]C(C)C)cc1 ZINC000089014995 179691995 /nfs/dbraw/zinc/69/19/95/179691995.db2.gz QKSGESIMPIPIOS-ZDUSSCGKSA-N 1 0 298.452 2.402 10 0 CEAERO C[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(C)C)cc1 ZINC000088846315 179681659 /nfs/dbraw/zinc/68/16/59/179681659.db2.gz XHQTZGMISXSHFE-OAHLLOKOSA-N 1 0 296.436 2.215 10 0 CEAERO COC(=O)[C@](C[N@@H+]1CCC[C@@H]1C(C)C)(NC1CC1)C1CC1 ZINC000088847596 179682614 /nfs/dbraw/zinc/68/26/14/179682614.db2.gz OOIKRYHWTHCWAU-NVXWUHKLSA-N 1 0 294.439 2.181 10 0 CEAERO CCCn1cc(Cl)cc1C(=O)NC[C@@H]([NH3+])CC ZINC000104221626 185935853 /nfs/dbraw/zinc/93/58/53/185935853.db2.gz HIYWZPGQHAHCCZ-JTQLQIEISA-N 1 0 257.765 2.019 10 0 CEAERO CCC[NH2+][C@@H](C)c1cnn(CCOC(F)(F)F)c1 ZINC000089056526 179695027 /nfs/dbraw/zinc/69/50/27/179695027.db2.gz JFZLKYMYFLIMJZ-VIFPVBQESA-N 1 0 265.279 2.480 10 0 CEAERO Cc1ccc(C(N)=O)c(N[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000089108591 179704889 /nfs/dbraw/zinc/70/48/89/179704889.db2.gz STYKOWACXXXZFP-WCQYABFASA-N 1 0 261.369 2.023 10 0 CEAERO CN(C(=O)CCOc1ccccc1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089110150 179705085 /nfs/dbraw/zinc/70/50/85/179705085.db2.gz DVIXPOLYPLQTRT-UKRRQHHQSA-N 1 0 276.380 2.041 10 0 CEAERO COc1ccc(NC(=O)N(C)[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089111353 179705873 /nfs/dbraw/zinc/70/58/73/179705873.db2.gz YUUNVCOXNFDBFF-SMDDNHRTSA-N 1 0 277.368 2.286 10 0 CEAERO COc1ccc(OC)c(N[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089147360 179722803 /nfs/dbraw/zinc/72/28/03/179722803.db2.gz YLYQSGAHAMVUHJ-PWSUYJOCSA-N 1 0 250.342 2.243 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1Nc1ccc(N2CCCC2=O)cc1 ZINC000089148410 179724030 /nfs/dbraw/zinc/72/40/30/179724030.db2.gz GSBMLOSXLFEFTR-SWLSCSKDSA-N 1 0 273.380 2.353 10 0 CEAERO CCn1nc(C)cc1COC1(C[NH3+])CCCCC1 ZINC000089180746 179744929 /nfs/dbraw/zinc/74/49/29/179744929.db2.gz JCZGNDRTXBLVBT-UHFFFAOYSA-N 1 0 251.374 2.390 10 0 CEAERO CCCN(Cc1c(Cl)c(C)nn1C)[C@@H]1CCC[NH2+]C1 ZINC000089247893 179759855 /nfs/dbraw/zinc/75/98/55/179759855.db2.gz LQUIXMMPTOVLCZ-GFCCVEGCSA-N 1 0 284.835 2.346 10 0 CEAERO Cc1nn(C)c(Cn2nc(C)c(C[C@@H](C)[NH3+])c2C)c1Cl ZINC000089256122 179761292 /nfs/dbraw/zinc/76/12/92/179761292.db2.gz SFDWUBFPNKBANN-MRVPVSSYSA-N 1 0 295.818 2.133 10 0 CEAERO Cc1cc(C[C@@H]([NH3+])c2cc(F)c(F)c(F)c2)n(C)n1 ZINC000089193748 179749647 /nfs/dbraw/zinc/74/96/47/179749647.db2.gz SPDMDVPZRJFUIN-GFCCVEGCSA-N 1 0 269.270 2.388 10 0 CEAERO CCc1cc(C[C@H](Cc2nc(C)cs2)[NH2+]C)n(C)n1 ZINC000089194306 179750593 /nfs/dbraw/zinc/75/05/93/179750593.db2.gz XXOHLFFPMANPRM-GFCCVEGCSA-N 1 0 278.425 2.121 10 0 CEAERO Cc1cc(F)ccc1NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089449703 539715899 /nfs/dbraw/zinc/71/58/99/539715899.db2.gz SLLFHQIHMQBHSQ-JQWIXIFHSA-N 1 0 250.317 2.448 10 0 CEAERO CCOc1ccc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])cc1OC ZINC000089452928 539716744 /nfs/dbraw/zinc/71/67/44/539716744.db2.gz RGABTCYMECNLPI-YPMHNXCESA-N 1 0 292.379 2.407 10 0 CEAERO CCN(CC)c1ccc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])cn1 ZINC000089452519 539717203 /nfs/dbraw/zinc/71/72/03/539717203.db2.gz FKLDIXAVRSWKQT-OCCSQVGLSA-N 1 0 290.411 2.241 10 0 CEAERO CCC[C@@H](C[NH2+]CCOC)Cc1cc(C)nn1CC ZINC000089206327 179754198 /nfs/dbraw/zinc/75/41/98/179754198.db2.gz ZBJONDPULRVQGB-CQSZACIVSA-N 1 0 267.417 2.406 10 0 CEAERO CCc1cc(CC(C)(C)C[NH2+]CCOC)n(CC)n1 ZINC000089206009 179754229 /nfs/dbraw/zinc/75/42/29/179754229.db2.gz SRDMLQANEXIVNF-UHFFFAOYSA-N 1 0 267.417 2.270 10 0 CEAERO Cc1cc(CN2C[C@H](C)[NH2+]CC23CCCCC3)n(C)n1 ZINC000089208871 179754790 /nfs/dbraw/zinc/75/47/90/179754790.db2.gz QFIMJGQLTQDUBL-AWEZNQCLSA-N 1 0 276.428 2.225 10 0 CEAERO CC[C@H](C)[C@H]1C[NH2+]C(C)(C)CN1Cc1cc(C)nn1C ZINC000089209479 179755066 /nfs/dbraw/zinc/75/50/66/179755066.db2.gz CDUYJORNCIVOOM-SWLSCSKDSA-N 1 0 278.444 2.327 10 0 CEAERO CCn1nc(C)cc1CN1C[C@@](C)(C2CC2)[NH2+]C[C@@H]1C ZINC000089210746 179755591 /nfs/dbraw/zinc/75/55/91/179755591.db2.gz VJHYUPNLYWNTSN-BBRMVZONSA-N 1 0 276.428 2.174 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCCc1ccc(Cl)cc1 ZINC000089459999 539718522 /nfs/dbraw/zinc/71/85/22/539718522.db2.gz CPQDYPUWHLIHFW-OCCSQVGLSA-N 1 0 280.799 2.374 10 0 CEAERO CCc1cc(CN2C[C@@H](C3CC3)[NH2+]C[C@@H]2C(C)C)n(C)n1 ZINC000089211046 179755815 /nfs/dbraw/zinc/75/58/15/179755815.db2.gz MYIJXLBNQUCTGQ-DLBZAZTESA-N 1 0 290.455 2.191 10 0 CEAERO Cc1cc(CN2CC3(CCCCC3)[NH2+]C[C@@H]2C)n(C)n1 ZINC000089210714 179755835 /nfs/dbraw/zinc/75/58/35/179755835.db2.gz OCKNGRDUROELEM-AWEZNQCLSA-N 1 0 276.428 2.225 10 0 CEAERO CCc1nn(CC)c(CN(CC)[C@@H]2CC[NH2+]C2)c1Cl ZINC000089353415 179772387 /nfs/dbraw/zinc/77/23/87/179772387.db2.gz QOZZZLJUFGBKOF-LLVKDONJSA-N 1 0 284.835 2.303 10 0 CEAERO CC[C@@H]1C[NH2+]C(C)(C)CN1Cc1c(Cl)c(C)nn1C ZINC000089270487 179763199 /nfs/dbraw/zinc/76/31/99/179763199.db2.gz OEBOQFRKOOKPCD-LLVKDONJSA-N 1 0 284.835 2.344 10 0 CEAERO CCn1nc(C)c(Cl)c1C[C@](C)(O)[C@@H]1CCC[NH2+]C1 ZINC000089282435 179764453 /nfs/dbraw/zinc/76/44/53/179764453.db2.gz UYHOABRAKQGBCW-RISCZKNCSA-N 1 0 285.819 2.158 10 0 CEAERO CCOc1cccc(CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089454397 179793435 /nfs/dbraw/zinc/79/34/35/179793435.db2.gz OBXXZJGUHLKODL-HIFRSBDPSA-N 1 0 276.380 2.077 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N(Cc1ccco1)C1CC1 ZINC000089456132 179793907 /nfs/dbraw/zinc/79/39/07/179793907.db2.gz JUBGPTYLXFFALF-SMDDNHRTSA-N 1 0 262.353 2.146 10 0 CEAERO CCN(Cc1cccs1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089456058 179794014 /nfs/dbraw/zinc/79/40/14/179794014.db2.gz FLZZYCFBIMGNEE-YPMHNXCESA-N 1 0 266.410 2.472 10 0 CEAERO CC1CCC(N(C)C(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089456055 179794252 /nfs/dbraw/zinc/79/42/52/179794252.db2.gz CNBJWWRWSFZFDF-YIOUJQMASA-N 1 0 252.402 2.399 10 0 CEAERO Cc1cccc(OCCN(C)C(=O)[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089457157 179794745 /nfs/dbraw/zinc/79/47/45/179794745.db2.gz WEYJICKNSWKCJB-ZBFHGGJFSA-N 1 0 290.407 2.207 10 0 CEAERO Cc1cc(C)nc(N[C@@H](C[NH3+])Cc2ccccc2)n1 ZINC000104312889 185963631 /nfs/dbraw/zinc/96/36/31/185963631.db2.gz VLSUCTDDHMBOMH-CQSZACIVSA-N 1 0 256.353 2.075 10 0 CEAERO Cc1ccoc1C(=O)NC[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089530933 179811263 /nfs/dbraw/zinc/81/12/63/179811263.db2.gz FIOXGISUONGAKU-NEPJUHHUSA-N 1 0 250.342 2.083 10 0 CEAERO CC(C)(CC[NH3+])CCC(=O)NC[C@@H]1CCCC[C@@H]1CO ZINC000089534436 179811766 /nfs/dbraw/zinc/81/17/66/179811766.db2.gz LHVUUQWJMLRUIO-UONOGXRCSA-N 1 0 284.444 2.057 10 0 CEAERO Cn1nc(COC[C@@H]2CCC[C@H]2C[NH3+])c2ccccc21 ZINC000089536480 179812420 /nfs/dbraw/zinc/81/24/20/179812420.db2.gz QZIQSPFKYPYBTK-STQMWFEESA-N 1 0 273.380 2.465 10 0 CEAERO CCC(C)(C)NC(=O)[C@H](C)OC[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089535558 179812517 /nfs/dbraw/zinc/81/25/17/179812517.db2.gz OVKMNKXCKMGINM-MJBXVCDLSA-N 1 0 284.444 2.461 10 0 CEAERO CCOc1cccc(OC[C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000089538673 179813283 /nfs/dbraw/zinc/81/32/83/179813283.db2.gz GWGNPMVFCZUZBJ-NEPJUHHUSA-N 1 0 250.342 2.234 10 0 CEAERO CC1(C)CCC(NC(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089463117 179797616 /nfs/dbraw/zinc/79/76/16/179797616.db2.gz KVNFWUZIDSCDGW-AAEUAGOBSA-N 1 0 252.402 2.446 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1CNC(=O)c1cc(F)c(F)c(F)c1 ZINC000089500258 179805010 /nfs/dbraw/zinc/80/50/10/179805010.db2.gz MJFIYROAIGECRE-BDAKNGLRSA-N 1 0 286.297 2.209 10 0 CEAERO Cc1ccc(F)c(C(=O)NC[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089500483 179805054 /nfs/dbraw/zinc/80/50/54/179805054.db2.gz RJORHBUSJWZIIM-VXGBXAGGSA-N 1 0 264.344 2.239 10 0 CEAERO CCS(=O)(=O)c1ccccc1NC[C@H]1CCC[C@H]1C[NH3+] ZINC000089501387 179805454 /nfs/dbraw/zinc/80/54/54/179805454.db2.gz CYDREHOWDUMVEO-QWHCGFSZSA-N 1 0 296.436 2.267 10 0 CEAERO CC(C)c1nn(C)cc1C[NH2+]C[C@H]1CCCC[C@H]1CO ZINC000089503572 179805959 /nfs/dbraw/zinc/80/59/59/179805959.db2.gz FIZYAFSUMGTHOK-KGLIPLIRSA-N 1 0 279.428 2.432 10 0 CEAERO COC(=O)c1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2CO)cc1 ZINC000089504613 179806637 /nfs/dbraw/zinc/80/66/37/179806637.db2.gz KFZRZURIYAACCD-HZPDHXFCSA-N 1 0 291.391 2.362 10 0 CEAERO OC[C@H]1CCCC[C@H]1C[NH2+]Cc1nccn1C(F)F ZINC000089527828 179809804 /nfs/dbraw/zinc/80/98/04/179809804.db2.gz KEHWHKPJUCOSSP-WDEREUQCSA-N 1 0 273.327 2.167 10 0 CEAERO Cc1cc(C(=O)NC[C@H]2CCCC[C@H]2C[NH3+])c(C)o1 ZINC000089531146 179811101 /nfs/dbraw/zinc/81/11/01/179811101.db2.gz XUEVGDPQIPPPHB-QWHCGFSZSA-N 1 0 264.369 2.391 10 0 CEAERO Cc1nn(C)c(N(C)c2ccc(C)cc2)c1C(N)=[NH2+] ZINC000104327032 185969909 /nfs/dbraw/zinc/96/99/09/185969909.db2.gz OVHIKADSVJNLLW-UHFFFAOYSA-N 1 0 257.341 2.089 10 0 CEAERO C[C@@H]1CCC[C@H](C[C@@H](C[NH3+])C(=O)N2CCCC2)C1 ZINC000089606356 179829133 /nfs/dbraw/zinc/82/91/33/179829133.db2.gz IWGHNXIDXRUYIF-RDBSUJKOSA-N 1 0 252.402 2.400 10 0 CEAERO CC[NH2+]CCn1nnnc1SC1C[C@H](C)C[C@@H](C)C1 ZINC000089686104 179846190 /nfs/dbraw/zinc/84/61/90/179846190.db2.gz ALGNQDODLZMTII-GHMZBOCLSA-N 1 0 283.445 2.199 10 0 CEAERO COc1cccc([C@H]2C[NH2+]C[C@H]2NC(=O)OC(C)(C)C)c1 ZINC000068575216 362945106 /nfs/dbraw/zinc/94/51/06/362945106.db2.gz HTRFINCTPOSBHF-ZIAGYGMSSA-N 1 0 292.379 2.275 10 0 CEAERO CCN([C@@H](C[NH3+])c1cncn1C)C1CCCCC1 ZINC000090167275 179922978 /nfs/dbraw/zinc/92/29/78/179922978.db2.gz ORJLAYRQFKAKTE-ZDUSSCGKSA-N 1 0 250.390 2.075 10 0 CEAERO CCCCCN(C(C)C)[C@@H](C[NH3+])c1cncn1C ZINC000090167662 179924428 /nfs/dbraw/zinc/92/44/28/179924428.db2.gz BMMRPCWVHMUXQH-ZDUSSCGKSA-N 1 0 252.406 2.321 10 0 CEAERO CCN(C(=O)c1cccc(C(F)(F)F)c1)C1C[NH2+]C1 ZINC000090291248 179951419 /nfs/dbraw/zinc/95/14/19/179951419.db2.gz USBKFCJCJKQWLQ-UHFFFAOYSA-N 1 0 272.270 2.139 10 0 CEAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)c1ccc(C)cc1 ZINC000090330910 179962071 /nfs/dbraw/zinc/96/20/71/179962071.db2.gz PAPRTKDCKPADMN-RBSFLKMASA-N 1 0 258.365 2.065 10 0 CEAERO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1C(=O)c1cc2c(s1)CCC2 ZINC000090335969 179965122 /nfs/dbraw/zinc/96/51/22/179965122.db2.gz GIJAXWHCXHRTNI-NWDGAFQWSA-N 1 0 290.432 2.307 10 0 CEAERO Cc1sc2[nH]c(CSC[C@@H](C)[NH3+])nc(=O)c2c1C ZINC000090343944 179969267 /nfs/dbraw/zinc/96/92/67/179969267.db2.gz OHQSDWWPJRAFSH-ZCFIWIBFSA-N 1 0 283.422 2.182 10 0 CEAERO CC(C)CN(CC(C)C)C(=O)CSC[C@H](C)C[NH3+] ZINC000090350053 179971816 /nfs/dbraw/zinc/97/18/16/179971816.db2.gz BQYNVTYSCGPUAR-CYBMUJFWSA-N 1 0 274.474 2.455 10 0 CEAERO CCOC(=O)c1nc(CSC[C@@H]([NH3+])CC)cs1 ZINC000090356456 179974923 /nfs/dbraw/zinc/97/49/23/179974923.db2.gz RDTZCASXDHEDSU-QMMMGPOBSA-N 1 0 274.411 2.290 10 0 CEAERO CC[C@H]([NH3+])CSCC(=O)Nc1ccc(F)cc1F ZINC000090356392 179975214 /nfs/dbraw/zinc/97/52/14/179975214.db2.gz LCMQXTPSIDIJHS-VIFPVBQESA-N 1 0 274.336 2.374 10 0 CEAERO CC[NH2+][C@H]1COC[C@H]1c1nc2ccccc2n1C1CC1 ZINC000090472294 179988979 /nfs/dbraw/zinc/98/89/79/179988979.db2.gz MRQJRCFSVXIALN-OCCSQVGLSA-N 1 0 271.364 2.463 10 0 CEAERO CC[NH2+][C@@H]1COC[C@H]1c1nc2cc(F)ccc2n1CC ZINC000090472419 179989279 /nfs/dbraw/zinc/98/92/79/179989279.db2.gz ZZKMPEKKVCWSCM-DGCLKSJQSA-N 1 0 277.343 2.287 10 0 CEAERO CC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccc(Cl)cc1F ZINC000090489368 179991820 /nfs/dbraw/zinc/99/18/20/179991820.db2.gz GPNYOJVUVNVMPR-BXKDBHETSA-N 1 0 286.734 2.042 10 0 CEAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000623764897 350106422 /nfs/dbraw/zinc/10/64/22/350106422.db2.gz LJDBJVAMXSOUBQ-RYUDHWBXSA-N 1 0 276.163 2.233 10 0 CEAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc(Cl)c1Cl ZINC000623764751 350106656 /nfs/dbraw/zinc/10/66/56/350106656.db2.gz JKVNCWHZMNWVMR-WDEREUQCSA-N 1 0 276.163 2.233 10 0 CEAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1Cl ZINC000623767354 350107223 /nfs/dbraw/zinc/10/72/23/350107223.db2.gz UNTSTEICHBXYNX-NWDGAFQWSA-N 1 0 276.163 2.233 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1c1nc2cc(F)c(F)cc2[nH]1 ZINC000090526709 179997601 /nfs/dbraw/zinc/99/76/01/179997601.db2.gz HEPBQPYKIIMCNP-ISVAXAHUSA-N 1 0 281.306 2.323 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1c1nc2cccnc2n1CCC ZINC000090527329 179997776 /nfs/dbraw/zinc/99/77/76/179997776.db2.gz VDCMCVDIQKZQIA-TZMCWYRMSA-N 1 0 288.395 2.323 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccc(F)cc1C ZINC000090539107 180000540 /nfs/dbraw/zinc/00/05/40/180000540.db2.gz AGULAXIDYGJPGB-TZMCWYRMSA-N 1 0 280.343 2.087 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)NC(CC)(CC)CC ZINC000090546264 180000919 /nfs/dbraw/zinc/00/09/19/180000919.db2.gz SQUALEMWBWUANL-CHWSQXEVSA-N 1 0 270.417 2.086 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)N[C@@H](C)c1cccc(F)c1 ZINC000090543298 180001185 /nfs/dbraw/zinc/00/11/85/180001185.db2.gz YFGFREJHEPFSHP-NILFDRSVSA-N 1 0 294.370 2.018 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1CN(C)c1cccc(F)c1 ZINC000090566733 180006711 /nfs/dbraw/zinc/00/67/11/180006711.db2.gz WMVBYOZOKUVBNT-DOMZBBRYSA-N 1 0 266.360 2.277 10 0 CEAERO CC(C)c1ccccc1NC(=O)[C@]1(C)COC[C@@H]1[NH3+] ZINC000090580475 180008851 /nfs/dbraw/zinc/00/88/51/180008851.db2.gz DFMNRKDJTAAQSI-DZGCQCFKSA-N 1 0 262.353 2.112 10 0 CEAERO CCCCc1ccc(NC(=O)[C@]2(C)COC[C@H]2[NH3+])cc1 ZINC000090582909 180008884 /nfs/dbraw/zinc/00/88/84/180008884.db2.gz ROYLSMDEBDPNJI-GDBMZVCRSA-N 1 0 276.380 2.332 10 0 CEAERO CCSc1ccccc1NC(=O)[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090590022 180010089 /nfs/dbraw/zinc/01/00/89/180010089.db2.gz BTEYXAPPDBFCON-JSGCOSHPSA-N 1 0 280.393 2.101 10 0 CEAERO CCOc1ccc(NC(=O)[C@]2(C)COC[C@H]2[NH3+])cc1Cl ZINC000090589799 180010591 /nfs/dbraw/zinc/01/05/91/180010591.db2.gz NEEXEJCGBJTZCB-TZMCWYRMSA-N 1 0 298.770 2.041 10 0 CEAERO C[C@@H](O[C@@H](C)C(=O)Nc1ccccc1C[NH3+])C(F)(F)F ZINC000090671988 180020928 /nfs/dbraw/zinc/02/09/28/180020928.db2.gz HBKHWLYFJXOWQO-DTWKUNHWSA-N 1 0 290.285 2.440 10 0 CEAERO C[C@@H]1CCC[C@@](CNc2nc(N)ns2)([NH+](C)C)C1 ZINC000090693077 180025600 /nfs/dbraw/zinc/02/56/00/180025600.db2.gz PVHXXRLVVGGULV-BXKDBHETSA-N 1 0 269.418 2.043 10 0 CEAERO CCCCC(=O)N1CCCSC[C@H]1C[NH+](C)C ZINC000090699751 180027961 /nfs/dbraw/zinc/02/79/61/180027961.db2.gz UQCRYUIDSWUDRV-GFCCVEGCSA-N 1 0 258.431 2.072 10 0 CEAERO CN1CCN(C)[C@H](C[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)C1 ZINC000068803398 362949451 /nfs/dbraw/zinc/94/94/51/362949451.db2.gz STCRJGOXOYDJLK-OWCLPIDISA-N 1 0 281.488 2.427 10 0 CEAERO COCCCS[C@@H](C[NH3+])c1ccccc1OC ZINC000104446858 186004603 /nfs/dbraw/zinc/00/46/03/186004603.db2.gz CWBLNFYCSXAVAY-ZDUSSCGKSA-N 1 0 255.383 2.465 10 0 CEAERO C[N@@H+]1CCC[C@H]1CCOc1ncncc1Br ZINC000090782962 180039600 /nfs/dbraw/zinc/03/96/00/180039600.db2.gz JBWUCCNABSBQGV-VIFPVBQESA-N 1 0 286.173 2.102 10 0 CEAERO CCCN(CC[NH+](C)C)c1ncncc1Br ZINC000090782079 180039675 /nfs/dbraw/zinc/03/96/75/180039675.db2.gz LNUWKKQIQOHRRE-UHFFFAOYSA-N 1 0 287.205 2.017 10 0 CEAERO CCCOc1cc(N[C@H]2c3ccccc3C[C@@H]2[NH3+])ncn1 ZINC000090785709 180040018 /nfs/dbraw/zinc/04/00/18/180040018.db2.gz OWUBHWWIVFVPGE-BBRMVZONSA-N 1 0 284.363 2.302 10 0 CEAERO CC(C)Oc1cc(N[C@H]2CCCCC[C@H]2[NH3+])ncn1 ZINC000090786111 180040177 /nfs/dbraw/zinc/04/01/77/180040177.db2.gz DFYQUYYTGWTBQS-NEPJUHHUSA-N 1 0 264.373 2.336 10 0 CEAERO CC(C)Oc1cc(NCC[C@H]2CCC[NH2+]C2)ncn1 ZINC000090786127 180040272 /nfs/dbraw/zinc/04/02/72/180040272.db2.gz YBGSKWWKPWJFMZ-GFCCVEGCSA-N 1 0 264.373 2.065 10 0 CEAERO COc1cc(N[C@@]2(C[NH3+])CCC[C@@H](C)C2)nc(C)n1 ZINC000090787500 180040788 /nfs/dbraw/zinc/04/07/88/180040788.db2.gz XFVKRNXJGPFCDE-YGRLFVJLSA-N 1 0 264.373 2.113 10 0 CEAERO CCN(c1cc(OC(C)C)ncn1)[C@H]1CCC[C@@H]1C[NH3+] ZINC000090786212 180040973 /nfs/dbraw/zinc/04/09/73/180040973.db2.gz KMUPEFXIFPFLRF-OLZOCXBDSA-N 1 0 278.400 2.218 10 0 CEAERO COc1ncnc(Oc2ccc(CC[NH3+])cc2)c1C ZINC000090789001 180041203 /nfs/dbraw/zinc/04/12/03/180041203.db2.gz LYEYSWOFIYDZHX-UHFFFAOYSA-N 1 0 259.309 2.087 10 0 CEAERO COc1ncnc(N2CCC[C@H]2C[NH2+]CC(C)C)c1C ZINC000090789045 180041353 /nfs/dbraw/zinc/04/13/53/180041353.db2.gz TUHFPAUICSTDJX-ZDUSSCGKSA-N 1 0 278.400 2.008 10 0 CEAERO CCOc1cc(N[C@@H]2CCCCC[C@H]2[NH3+])nc(C)n1 ZINC000090787871 180041549 /nfs/dbraw/zinc/04/15/49/180041549.db2.gz HHCALFNZRGXIRU-VXGBXAGGSA-N 1 0 264.373 2.256 10 0 CEAERO CCCN(c1cc(OCC)nc(C)n1)[C@@H]1CCC[NH2+]C1 ZINC000090787895 180041555 /nfs/dbraw/zinc/04/15/55/180041555.db2.gz PKGCTSJEFSXRLW-CYBMUJFWSA-N 1 0 278.400 2.152 10 0 CEAERO CCOc1cc(N[C@H]2c3ccccc3C[C@H]2[NH3+])nc(C)n1 ZINC000090788395 180041558 /nfs/dbraw/zinc/04/15/58/180041558.db2.gz ZGYCXCQVAXXMPM-CJNGLKHVSA-N 1 0 284.363 2.220 10 0 CEAERO CCC(CC)[C@H](C)NS(=O)(=O)CCC[NH2+]C(C)C ZINC000104447130 186005222 /nfs/dbraw/zinc/00/52/22/186005222.db2.gz AMCPBVKAUDGWKR-LBPRGKRZSA-N 1 0 278.462 2.119 10 0 CEAERO COc1cccc([C@H](C)[NH2+]C[C@H](C)[S@](C)=O)c1 ZINC000090842163 180043330 /nfs/dbraw/zinc/04/33/30/180043330.db2.gz JYFALXBOMBDHPW-PSVSLLHZSA-N 1 0 255.383 2.113 10 0 CEAERO CCC1(CC)[C@H]([NH3+])C[C@H]1Oc1cccc(S(C)(=O)=O)c1 ZINC000090862040 180047125 /nfs/dbraw/zinc/04/71/25/180047125.db2.gz KOTNDHYHUCVBOP-ZIAGYGMSSA-N 1 0 297.420 2.375 10 0 CEAERO C[NH2+]Cc1cccc(SCCCC(=O)OC)c1 ZINC000090870711 180049254 /nfs/dbraw/zinc/04/92/54/180049254.db2.gz VMWZWGUIEOMIDM-UHFFFAOYSA-N 1 0 253.367 2.451 10 0 CEAERO CC(C)(C)NC(=O)CSc1cccc(C[NH3+])c1 ZINC000090870566 180049448 /nfs/dbraw/zinc/04/94/48/180049448.db2.gz PILLGYBLFQXHIZ-UHFFFAOYSA-N 1 0 252.383 2.152 10 0 CEAERO CCC[NH2+]Cc1cccc(SC[C@H](C)C(N)=O)c1 ZINC000090871711 180049685 /nfs/dbraw/zinc/04/96/85/180049685.db2.gz VVHLYLUUEPNPOW-NSHDSACASA-N 1 0 266.410 2.400 10 0 CEAERO CCC[NH2+]Cc1cccc(S[C@@H](C)C(=O)NC)c1 ZINC000090871545 180050094 /nfs/dbraw/zinc/05/00/94/180050094.db2.gz GOLARWZITJFUEU-NSHDSACASA-N 1 0 266.410 2.413 10 0 CEAERO CCC[NH2+]Cc1cccc(SC[C@@H](O)COC)c1 ZINC000090871434 180050298 /nfs/dbraw/zinc/05/02/98/180050298.db2.gz UTJXDAVDYNWDOB-ZDUSSCGKSA-N 1 0 269.410 2.286 10 0 CEAERO COCC[NH2+]Cc1cccc(S[C@@H](C)C(=O)OC)c1 ZINC000090873129 180050363 /nfs/dbraw/zinc/05/03/63/180050363.db2.gz IRVDTFVIKSKKRV-NSHDSACASA-N 1 0 283.393 2.076 10 0 CEAERO CC(C)CN(CC[NH3+])C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893505 180054697 /nfs/dbraw/zinc/05/46/97/180054697.db2.gz KAIZCEYXWQAEAC-AWEZNQCLSA-N 1 0 266.360 2.046 10 0 CEAERO OC1(C[NH2+]C[C@@H]2Cc3cc(F)ccc3O2)CCCC1 ZINC000090892976 180054744 /nfs/dbraw/zinc/05/47/44/180054744.db2.gz OUYPXMFVBLZWKS-ZDUSSCGKSA-N 1 0 265.328 2.024 10 0 CEAERO CC(C)[N@H+](CCCO)C[C@H]1Cc2cc(F)ccc2O1 ZINC000090894764 180055939 /nfs/dbraw/zinc/05/59/39/180055939.db2.gz JVAWMWATOHZTPK-CQSZACIVSA-N 1 0 267.344 2.222 10 0 CEAERO OCC[C@H]1CCC[N@H+](C[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090894784 180056368 /nfs/dbraw/zinc/05/63/68/180056368.db2.gz CMEJQCOCXLFGAQ-DOMZBBRYSA-N 1 0 279.355 2.224 10 0 CEAERO CCN(C[C@H]1Cc2cc(F)ccc2O1)[C@@H]1CCC[NH2+]C1 ZINC000090894294 180056410 /nfs/dbraw/zinc/05/64/10/180056410.db2.gz RAAYZQQENJFKOB-HUUCEWRRSA-N 1 0 278.371 2.203 10 0 CEAERO CC[N@H+](CCC(=O)OC)C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090894717 180056431 /nfs/dbraw/zinc/05/64/31/180056431.db2.gz PIUBERYTLRFCCJ-ZDUSSCGKSA-N 1 0 281.327 2.014 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[NH2+]CC[C@H]1CCCO1)O2 ZINC000090897532 180056824 /nfs/dbraw/zinc/05/68/24/180056824.db2.gz LSKOMVLHNHTAPT-HUUCEWRRSA-N 1 0 261.365 2.457 10 0 CEAERO CC[NH2+]Cc1nccn1C[C@H]1Cc2cc(C)ccc2O1 ZINC000090900416 180059378 /nfs/dbraw/zinc/05/93/78/180059378.db2.gz CLBNXJRTTINFQM-CQSZACIVSA-N 1 0 271.364 2.305 10 0 CEAERO Cn1ccnc1C[NH2+]C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090904771 180059737 /nfs/dbraw/zinc/05/97/37/180059737.db2.gz FCPRHRJZKCQIEO-LBPRGKRZSA-N 1 0 277.755 2.167 10 0 CEAERO [NH3+]C[C@H](c1c(F)cccc1Cl)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905686 180059837 /nfs/dbraw/zinc/05/98/37/180059837.db2.gz ZSWIGDNHPWMMIY-GBIKHYSHSA-N 1 0 284.762 2.342 10 0 CEAERO Cc1ccc([C@H](C[NH3+])N2C[C@H]3CC[C@@H](C2)O3)c(C)c1 ZINC000090905708 180059986 /nfs/dbraw/zinc/05/99/86/180059986.db2.gz JYPHQRBLGUZPDS-LZWOXQAQSA-N 1 0 260.381 2.166 10 0 CEAERO CC(C)[NH2+]Cc1ccoc1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000090907868 180061897 /nfs/dbraw/zinc/06/18/97/180061897.db2.gz IJDXXTHBMBTYAI-OKILXGFUSA-N 1 0 264.369 2.141 10 0 CEAERO CC1(C)Cc2nc(N3C[C@H]4CC[C@@H](C3)O4)sc2[C@H]([NH3+])C1 ZINC000090908122 180062052 /nfs/dbraw/zinc/06/20/52/180062052.db2.gz KCDUWSSOUXJTNR-OUAUKWLOSA-N 1 0 293.436 2.483 10 0 CEAERO C[NH2+][C@H](CCN1C[C@H]2CC[C@@H](C1)O2)c1cccc(F)c1 ZINC000090907602 180062214 /nfs/dbraw/zinc/06/22/14/180062214.db2.gz PWDBFUFEROKOSQ-OWCLPIDISA-N 1 0 278.371 2.340 10 0 CEAERO C[C@@H](C[NH2+]Cc1cccs1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090908029 180062290 /nfs/dbraw/zinc/06/22/90/180062290.db2.gz AHQZSPUYFWUTFX-RWMBFGLXSA-N 1 0 266.410 2.089 10 0 CEAERO Fc1cccc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000090908099 180062392 /nfs/dbraw/zinc/06/23/92/180062392.db2.gz QLEPQORMZQAKBH-OKILXGFUSA-N 1 0 250.317 2.101 10 0 CEAERO C[C@@H](NC(=O)c1csc(CC[NH3+])n1)c1ccc(F)cc1 ZINC000090951873 180072577 /nfs/dbraw/zinc/07/25/77/180072577.db2.gz GXAMSXNZYMGLAF-SECBINFHSA-N 1 0 293.367 2.274 10 0 CEAERO CC[C@@H](C)N(CCOC)Cc1csc([C@@H](C)[NH3+])n1 ZINC000090958311 180074606 /nfs/dbraw/zinc/07/46/06/180074606.db2.gz WACQARIKFSSGGP-GHMZBOCLSA-N 1 0 271.430 2.410 10 0 CEAERO Nc1ccsc1C[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000090960163 180075506 /nfs/dbraw/zinc/07/55/06/180075506.db2.gz VRSQHRIAODRSFE-VIFPVBQESA-N 1 0 293.358 2.304 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000090960825 180076414 /nfs/dbraw/zinc/07/64/14/180076414.db2.gz JKQJGQATKDGHGJ-YPMHNXCESA-N 1 0 282.409 2.347 10 0 CEAERO COC(=O)C1CC[NH+](C[C@@H]2Cc3ccccc32)CC1 ZINC000090981384 180079027 /nfs/dbraw/zinc/07/90/27/180079027.db2.gz ZRDALTAGDAGHBI-AWEZNQCLSA-N 1 0 259.349 2.211 10 0 CEAERO [NH3+]Cc1cccc(CNC(=O)[C@H]2Cc3ccccc32)c1 ZINC000090982607 180079475 /nfs/dbraw/zinc/07/94/75/180079475.db2.gz QZGKWFDJNNWZMI-INIZCTEOSA-N 1 0 266.344 2.101 10 0 CEAERO O=C([C@H]1Cc2ccccc21)N1CC[NH2+]CC12CCCCC2 ZINC000090985601 180080845 /nfs/dbraw/zinc/08/08/45/180080845.db2.gz YTUJGZXJWRSRRZ-INIZCTEOSA-N 1 0 284.403 2.461 10 0 CEAERO CCC[C@@H](C)NC(=O)Cn1cccc1C[NH2+]C(C)C ZINC000091001076 180083274 /nfs/dbraw/zinc/08/32/74/180083274.db2.gz MFPAAPAZFZCEHQ-CYBMUJFWSA-N 1 0 265.401 2.291 10 0 CEAERO Cc1nccn1CCn1cccc1C[NH2+]CC(C)C ZINC000091001838 180083373 /nfs/dbraw/zinc/08/33/73/180083373.db2.gz FTRUOFGJHXOGIX-UHFFFAOYSA-N 1 0 260.385 2.439 10 0 CEAERO C[NH2+]Cc1ccn(CC(=O)Nc2ccccc2Cl)c1 ZINC000091003042 180083945 /nfs/dbraw/zinc/08/39/45/180083945.db2.gz PFACBHVOSUGTDE-UHFFFAOYSA-N 1 0 277.755 2.500 10 0 CEAERO COCC[NH2+]Cc1ccn(CCCOCC(F)(F)F)c1 ZINC000091004758 180084243 /nfs/dbraw/zinc/08/42/43/180084243.db2.gz YTNAEJZWLOVGSP-UHFFFAOYSA-N 1 0 294.317 2.193 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccn(Cc2cccc(OC)n2)c1 ZINC000091006394 180084520 /nfs/dbraw/zinc/08/45/20/180084520.db2.gz RMMYGEZGWVAOFZ-CYBMUJFWSA-N 1 0 259.353 2.220 10 0 CEAERO Cc1n[nH]cc1CCC[NH2+]Cc1c[nH]c2ncccc12 ZINC000091017821 180086865 /nfs/dbraw/zinc/08/68/65/180086865.db2.gz GMEGXMDTSWNEGF-UHFFFAOYSA-N 1 0 269.352 2.317 10 0 CEAERO OC[C@@H](Cc1ccccc1)[NH2+]Cc1c[nH]c2ncccc12 ZINC000091018419 180087051 /nfs/dbraw/zinc/08/70/51/180087051.db2.gz NJHBUSZAFAJMON-OAHLLOKOSA-N 1 0 281.359 2.256 10 0 CEAERO CCn1cccc1C[NH2+][C@H](CC(C)C)C(=O)N(C)C ZINC000091023534 180088644 /nfs/dbraw/zinc/08/86/44/180088644.db2.gz PGLZIQDBAKGROZ-CQSZACIVSA-N 1 0 265.401 2.101 10 0 CEAERO CCOCCCn1cc(C[NH2+]CCOC)c2cccnc21 ZINC000091021273 180088827 /nfs/dbraw/zinc/08/88/27/180088827.db2.gz NMIVASQXUXSGBN-UHFFFAOYSA-N 1 0 291.395 2.199 10 0 CEAERO CCC1(C)CCN([C@H](C[NH3+])CC(=O)NC(C)(C)C)CC1 ZINC000091321596 180134384 /nfs/dbraw/zinc/13/43/84/180134384.db2.gz QVSFKOIFYQPMLL-ZDUSSCGKSA-N 1 0 283.460 2.131 10 0 CEAERO CCN(CC)C(=O)C[C@@H](C[NH3+])Nc1ccccc1Cl ZINC000091323023 180134436 /nfs/dbraw/zinc/13/44/36/180134436.db2.gz MNZVQFMFLXBDPB-NSHDSACASA-N 1 0 283.803 2.338 10 0 CEAERO CC(C)C[NH+](CC(C)C)[C@@H](CN)CC(=O)NC(C)(C)C ZINC000091321099 180134447 /nfs/dbraw/zinc/13/44/47/180134447.db2.gz MAIVQLZNRYZVPW-CQSZACIVSA-N 1 0 285.476 2.233 10 0 CEAERO Cc1cccc(CN(C)[C@H](C[NH3+])CC(=O)NC(C)(C)C)c1 ZINC000091321101 180134623 /nfs/dbraw/zinc/13/46/23/180134623.db2.gz DRQYIBBHHZPGKZ-HNNXBMFYSA-N 1 0 291.439 2.059 10 0 CEAERO CCC1CCC([N@H+](C)[C@H](CN)CC(=O)N(CC)CC)CC1 ZINC000091322794 180134814 /nfs/dbraw/zinc/13/48/14/180134814.db2.gz GKTJCVGALITTGO-GPANFISMSA-N 1 0 297.487 2.473 10 0 CEAERO COc1ccccc1C[C@H](C)N(C)C(=O)C[NH2+]C(C)(C)C ZINC000091326400 180135055 /nfs/dbraw/zinc/13/50/55/180135055.db2.gz OCUHNSLXCZAYSG-ZDUSSCGKSA-N 1 0 292.423 2.473 10 0 CEAERO CCCc1c(C[NH2+]CCOC)cnn1-c1cc(C)ccn1 ZINC000091338324 180136206 /nfs/dbraw/zinc/13/62/06/180136206.db2.gz PBVCYRCJBOZXRY-UHFFFAOYSA-N 1 0 288.395 2.264 10 0 CEAERO CCc1c(C[NH2+]C2CC2)cnn1-c1cc(C)ccn1 ZINC000091338340 180136634 /nfs/dbraw/zinc/13/66/34/180136634.db2.gz LKJMASYDAYMHEJ-UHFFFAOYSA-N 1 0 256.353 2.390 10 0 CEAERO O=C(Nc1ccccn1)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091358678 180140230 /nfs/dbraw/zinc/14/02/30/180140230.db2.gz QDNZLWRHNLEHFJ-AVGNSLFASA-N 1 0 259.353 2.331 10 0 CEAERO Cc1cc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3[NH2+]2)on1 ZINC000091358735 180140679 /nfs/dbraw/zinc/14/06/79/180140679.db2.gz LSVIXZILUOZCME-WOPDTQHZSA-N 1 0 263.341 2.232 10 0 CEAERO COCCN(CC(C)C)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000091360008 180141095 /nfs/dbraw/zinc/14/10/95/180141095.db2.gz ZICFKNGLGRKHIJ-PMPSAXMXSA-N 1 0 296.455 2.428 10 0 CEAERO CN(Cc1nccn1C)C[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091362789 180141690 /nfs/dbraw/zinc/14/16/90/180141690.db2.gz MVIUIUQIPKSFEX-KKUMJFAQSA-N 1 0 276.428 2.163 10 0 CEAERO C[C@H](CCO)SCc1ccc(C(N)=[NH2+])cc1F ZINC000091264162 180116582 /nfs/dbraw/zinc/11/65/82/180116582.db2.gz SJEVTPADFRIJQU-MRVPVSSYSA-N 1 0 256.346 2.114 10 0 CEAERO CC(C)[NH2+]C[C@@H]1CCN(C)[C@@H]1c1cncn1C1CC1 ZINC000091275415 180118600 /nfs/dbraw/zinc/11/86/00/180118600.db2.gz TWHRIIMNOIESBE-WFASDCNBSA-N 1 0 262.401 2.209 10 0 CEAERO CCN(CC(C)C)[C@@H](C[NH3+])c1cncn1C1CC1 ZINC000091276233 180120552 /nfs/dbraw/zinc/12/05/52/180120552.db2.gz RMLALMFFWBFPIC-ZDUSSCGKSA-N 1 0 250.390 2.196 10 0 CEAERO CCCn1c(C[C@@H]2C[NH2+]CCO2)nc2ccc(F)cc21 ZINC000091293351 180124228 /nfs/dbraw/zinc/12/42/28/180124228.db2.gz ULMHEGBOZPJNOI-GFCCVEGCSA-N 1 0 277.343 2.116 10 0 CEAERO CC(C)n1c2ccc(C[NH3+])cc2nc1C1CC(O)C1 ZINC000091430503 180152950 /nfs/dbraw/zinc/15/29/50/180152950.db2.gz PGKIPLYEBTWAGA-UHFFFAOYSA-N 1 0 259.353 2.314 10 0 CEAERO Cc1ccc(NCCN2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000091430880 180153398 /nfs/dbraw/zinc/15/33/98/180153398.db2.gz XVLVNOFXSLLASM-MRXNPFEDSA-N 1 0 261.413 2.433 10 0 CEAERO Cc1nn(C)c(C)c1Oc1cncc(C[NH2+]C(C)C)n1 ZINC000091435584 180154336 /nfs/dbraw/zinc/15/43/36/180154336.db2.gz JQOONEDAYBYBAC-UHFFFAOYSA-N 1 0 275.356 2.117 10 0 CEAERO CC1CCC(CO)(C[N@@H+]2CCC[C@H](N(C)C)C2)CC1 ZINC000091450286 180158172 /nfs/dbraw/zinc/15/81/72/180158172.db2.gz BBGHGFRCUZWGSR-PCKAHOCUSA-N 1 0 268.445 2.201 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1cccc(OC)c1)N(C)CC1CC(O)C1 ZINC000091450858 180158706 /nfs/dbraw/zinc/15/87/06/180158706.db2.gz JOUOJFUBRJUGDU-TVGUXLQWSA-N 1 0 292.423 2.176 10 0 CEAERO C[C@](O)(CC[NH3+])Cc1ccc(OC(F)(F)F)cc1 ZINC000091465308 180163885 /nfs/dbraw/zinc/16/38/85/180163885.db2.gz LEJYBEFQNOTRBW-NSHDSACASA-N 1 0 263.259 2.228 10 0 CEAERO CC[NH2+]CC[C@](C)(O)Cc1c(Cl)c(C)nn1CC ZINC000091468089 180164160 /nfs/dbraw/zinc/16/41/60/180164160.db2.gz CBOSHHMPKRCJPP-ZDUSSCGKSA-N 1 0 273.808 2.158 10 0 CEAERO COc1ccc(Cl)cc1C[C@@H](O)C[NH2+]CC(C)C ZINC000091466634 180164293 /nfs/dbraw/zinc/16/42/93/180164293.db2.gz YPWRLYQUFYRWRA-CYBMUJFWSA-N 1 0 271.788 2.498 10 0 CEAERO CC[C@H](C)n1ccc(C[C@@H](O)C[NH2+]C(C)(C)C)n1 ZINC000091469823 180164909 /nfs/dbraw/zinc/16/49/09/180164909.db2.gz LGXBKAOFZQUCOL-WCQYABFASA-N 1 0 253.390 2.146 10 0 CEAERO CN(CC1CC([NH3+])C1)c1ncccc1C(F)(F)F ZINC000091477142 180166441 /nfs/dbraw/zinc/16/64/41/180166441.db2.gz AQZMNEZRJSVWAK-UHFFFAOYSA-N 1 0 259.275 2.274 10 0 CEAERO CC1(C)C(C(=O)N2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1(C)C ZINC000091492683 180170670 /nfs/dbraw/zinc/17/06/70/180170670.db2.gz UFFHEBVGOUHHMY-RYUDHWBXSA-N 1 0 264.413 2.412 10 0 CEAERO CN(C(=O)C1C(C)(C)C1(C)C)[C@@H]1CCC[C@H]1C[NH3+] ZINC000091492809 180170866 /nfs/dbraw/zinc/17/08/66/180170866.db2.gz PNVGENAHUUVWRC-WDEREUQCSA-N 1 0 252.402 2.254 10 0 CEAERO Cc1ccc(C(=O)CN2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000091395572 180146131 /nfs/dbraw/zinc/14/61/31/180146131.db2.gz FZXPEEIUDNTIPJ-OAHLLOKOSA-N 1 0 260.381 2.204 10 0 CEAERO C[C@@H]([NH2+]CC1CC(O)C1)c1ccc(-n2ccnc2)cc1 ZINC000091415533 180149455 /nfs/dbraw/zinc/14/94/55/180149455.db2.gz AIZHNMHUSZGXGP-VEAWUBTESA-N 1 0 271.364 2.294 10 0 CEAERO CC[C@H](C)N(CCOC)c1cncc(C[NH2+]CC(C)C)n1 ZINC000091420642 180150663 /nfs/dbraw/zinc/15/06/63/180150663.db2.gz YZTWGFJEKBEBTE-AWEZNQCLSA-N 1 0 294.443 2.474 10 0 CEAERO CCN(c1cncc(C[NH2+]C)n1)c1ccccc1F ZINC000091420047 180150714 /nfs/dbraw/zinc/15/07/14/180150714.db2.gz HJCOEWUUTNTBNX-UHFFFAOYSA-N 1 0 260.316 2.493 10 0 CEAERO c1nc2ccccc2n1-c1cncc(C[NH2+]C2CC2)n1 ZINC000091422376 180151528 /nfs/dbraw/zinc/15/15/28/180151528.db2.gz PJUJFFUVQVJCIH-UHFFFAOYSA-N 1 0 265.320 2.068 10 0 CEAERO CC(C)c1nn(C)c(N2CC[C@@H]([NH+]3CCCCC3)C2)c1N ZINC000091557890 180190702 /nfs/dbraw/zinc/19/07/02/180190702.db2.gz DQXWFTYARBHQJF-CYBMUJFWSA-N 1 0 291.443 2.190 10 0 CEAERO CCC[NH2+][C@H](Cc1ncnn1CC)C(C)(C)N1CCCC1 ZINC000091563699 180192957 /nfs/dbraw/zinc/19/29/57/180192957.db2.gz DKVXWNHJEDDFJF-CQSZACIVSA-N 1 0 293.459 2.083 10 0 CEAERO Cc1cc(C)cc(C[C@@H](O)C(C)(C)[NH+]2CCOCC2)c1 ZINC000091565688 180193133 /nfs/dbraw/zinc/19/31/33/180193133.db2.gz IRIKNJRCWAEURR-MRXNPFEDSA-N 1 0 277.408 2.318 10 0 CEAERO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CC(=O)N(C(C)C)C1=O ZINC000105083392 186041115 /nfs/dbraw/zinc/04/11/15/186041115.db2.gz WHOLPRDHJKVHEA-GXTWGEPZSA-N 1 0 274.364 2.182 10 0 CEAERO CC(C)([C@@H](O)CCCc1ccccc1)[NH+]1CCOCC1 ZINC000091565736 180193604 /nfs/dbraw/zinc/19/36/04/180193604.db2.gz YXBFOZMQXPANMP-INIZCTEOSA-N 1 0 277.408 2.481 10 0 CEAERO CC(C)Cn1ncnc1C[C@@H]([NH3+])C(C)(C)N1CCCCC1 ZINC000091564317 180193731 /nfs/dbraw/zinc/19/37/31/180193731.db2.gz VHZCVYIXJYUOCN-CQSZACIVSA-N 1 0 293.459 2.068 10 0 CEAERO C[NH2+][C@H](c1cccc(F)c1)C(C)(C)N1CCOCC1 ZINC000091566606 180194007 /nfs/dbraw/zinc/19/40/07/180194007.db2.gz MNQFRIFSSFOTEB-CQSZACIVSA-N 1 0 266.360 2.197 10 0 CEAERO CCOc1ccc([C@H]([NH2+]C)C(C)(C)N2CCOCC2)cc1 ZINC000091566514 180194201 /nfs/dbraw/zinc/19/42/01/180194201.db2.gz CAMBPWCWCUITDR-INIZCTEOSA-N 1 0 292.423 2.457 10 0 CEAERO CCc1cc(C[C@H](O)[C@@](C)(CC)[NH+](C)C)n(CC)n1 ZINC000091569052 180195052 /nfs/dbraw/zinc/19/50/52/180195052.db2.gz VNCYUBHXZFLMJW-LSDHHAIUSA-N 1 0 267.417 2.099 10 0 CEAERO CC[C@H](C)n1ccc(C[C@H](O)[C@@](C)(CC)[NH+](C)C)n1 ZINC000091569137 180195462 /nfs/dbraw/zinc/19/54/62/180195462.db2.gz BAITZMXSEAPWFM-AEGPPILISA-N 1 0 267.417 2.488 10 0 CEAERO CC[C@@](C)([C@H](N)Cc1ccn(C(C)C)n1)[NH+](C)C ZINC000091570080 180195533 /nfs/dbraw/zinc/19/55/33/180195533.db2.gz VXBGBZGCDXCDLR-KGLIPLIRSA-N 1 0 252.406 2.064 10 0 CEAERO CC[C@@](C)([C@H](N)c1cc(Cl)cnc1N)[NH+](C)C ZINC000091569712 180195679 /nfs/dbraw/zinc/19/56/79/180195679.db2.gz DOGQBYSKWGSYFU-PWSUYJOCSA-N 1 0 256.781 2.047 10 0 CEAERO CCCn1cc([C@@H]([NH2+]C)[C@](C)(CC)N(C)C)cn1 ZINC000091570779 180195709 /nfs/dbraw/zinc/19/57/09/180195709.db2.gz KFFONBNOGOVLJY-KGLIPLIRSA-N 1 0 252.406 2.284 10 0 CEAERO CCn1nccc1[C@@H](O)[C@@](C)(CC)[NH+](CC)CC ZINC000091572769 180196551 /nfs/dbraw/zinc/19/65/51/180196551.db2.gz JGTZXSFXPFNLOL-ZIAGYGMSSA-N 1 0 253.390 2.447 10 0 CEAERO O=C(NCCC[N@@H+]1CCC[C@H]1c1ccco1)C(F)(F)F ZINC000091578396 180198314 /nfs/dbraw/zinc/19/83/14/180198314.db2.gz QSFNWRXZAJBCON-JTQLQIEISA-N 1 0 290.285 2.485 10 0 CEAERO CC[NH+]1CCC(CNc2c(N)c(C(C)C)nn2C)CC1 ZINC000091580443 180198534 /nfs/dbraw/zinc/19/85/34/180198534.db2.gz QYOULZQKUFELFF-UHFFFAOYSA-N 1 0 279.432 2.270 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@H](NC)c1ccnn1C ZINC000091599624 180201982 /nfs/dbraw/zinc/20/19/82/180201982.db2.gz WCROXZHZBSPDPB-KGLIPLIRSA-N 1 0 252.406 2.191 10 0 CEAERO CC[NH2+][C@@H](Cc1cnn(C)c1)[C@](C)(CC)N(CC)CC ZINC000091600393 180202123 /nfs/dbraw/zinc/20/21/23/180202123.db2.gz BONVNAJPKMRFII-HOTGVXAUSA-N 1 0 280.460 2.451 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@@H](N)c1cccnc1N ZINC000091598901 180202193 /nfs/dbraw/zinc/20/21/93/180202193.db2.gz WRAXNDQPJGMQSC-GXTWGEPZSA-N 1 0 250.390 2.174 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@@H](NC)c1nccn1C ZINC000091599371 180202682 /nfs/dbraw/zinc/20/26/82/180202682.db2.gz XNMCTUSIGWCWMM-JSGCOSHPSA-N 1 0 252.406 2.191 10 0 CEAERO CC(C)CCCNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105123855 186043467 /nfs/dbraw/zinc/04/34/67/186043467.db2.gz ODWHSNTWVRXWME-CQSZACIVSA-N 1 0 267.417 2.302 10 0 CEAERO CCc1cc(C[C@H](O)[C@@](C)(CC)[NH+]2CCCC2)n(C)n1 ZINC000091603011 180203403 /nfs/dbraw/zinc/20/34/03/180203403.db2.gz XFCJGNUPBUYIQL-JKSUJKDBSA-N 1 0 279.428 2.150 10 0 CEAERO CC[C@](C)([C@H](NC)c1c(C)ccnc1N)[NH+]1CCCC1 ZINC000091606142 180203752 /nfs/dbraw/zinc/20/37/52/180203752.db2.gz COZLBKAEWAQGJT-GDBMZVCRSA-N 1 0 276.428 2.497 10 0 CEAERO CCn1cc([C@H](N)[C@@](C)(CC)[NH+]2CCCC2)cn1 ZINC000091605647 180204178 /nfs/dbraw/zinc/20/41/78/180204178.db2.gz XXHGFIUREVGJAA-UONOGXRCSA-N 1 0 250.390 2.167 10 0 CEAERO CC[C@@](C)([C@H](NC)c1cnccc1N)[NH+]1CCCC1 ZINC000091606322 180204315 /nfs/dbraw/zinc/20/43/15/180204315.db2.gz IFZYQIBEJCZHRH-CABCVRRESA-N 1 0 262.401 2.189 10 0 CEAERO CC[C@](C)([C@H](O)c1cnn(C)c1)[NH+]1CCCCC1 ZINC000091608774 180204985 /nfs/dbraw/zinc/20/49/85/180204985.db2.gz CYONVEGRFVPVOI-ZIAGYGMSSA-N 1 0 251.374 2.108 10 0 CEAERO CC[C@](C)([C@H](NC)c1nccn1C)[NH+]1CCCCC1 ZINC000091609730 180205624 /nfs/dbraw/zinc/20/56/24/180205624.db2.gz YPDINPWNAJWOHS-UKRRQHHQSA-N 1 0 264.417 2.335 10 0 CEAERO CC[C@](C)([C@@H](O)Cc1ccc(F)cc1)[NH+]1CCOCC1 ZINC000091611416 180206201 /nfs/dbraw/zinc/20/62/01/180206201.db2.gz UAZRHUVESINQFL-JKSUJKDBSA-N 1 0 281.371 2.230 10 0 CEAERO CC[C@@](C)([C@@H](O)Cc1cccc(C)c1)[NH+]1CCOCC1 ZINC000091611075 180206466 /nfs/dbraw/zinc/20/64/66/180206466.db2.gz MJSNKQSZYNNAOS-IRXDYDNUSA-N 1 0 277.408 2.399 10 0 CEAERO CC[C@](C)([C@H](Cc1ccsc1)[NH2+]C)N1CCOCC1 ZINC000091612492 180207086 /nfs/dbraw/zinc/20/70/86/180207086.db2.gz OYYCFCKSTXURSE-LSDHHAIUSA-N 1 0 282.453 2.380 10 0 CEAERO CC[C@](C)([C@@H](CC[C@@H]1CCCO1)[NH2+]C)N1CCOCC1 ZINC000091612418 180207246 /nfs/dbraw/zinc/20/72/46/180207246.db2.gz IRDMLHZKYZQGIB-ARFHVFGLSA-N 1 0 284.444 2.035 10 0 CEAERO CC[C@](C)([C@@H]([NH3+])CCc1ccccc1)N1CCOCC1 ZINC000091612156 180207346 /nfs/dbraw/zinc/20/73/46/180207346.db2.gz ASQRBRQRTAVCLG-DLBZAZTESA-N 1 0 276.424 2.447 10 0 CEAERO CC[NH2+][C@@H](c1ccco1)[C@](C)(CC)N1CCOCC1 ZINC000091612891 180207548 /nfs/dbraw/zinc/20/75/48/180207548.db2.gz KNMHUQWACNHULP-GJZGRUSLSA-N 1 0 266.385 2.431 10 0 CEAERO CCn1ccnc1[C@H](NC)C(CC)(CC)[NH+](C)C ZINC000091614507 180207742 /nfs/dbraw/zinc/20/77/42/180207742.db2.gz OEMNRQFBLWLSBI-LBPRGKRZSA-N 1 0 252.406 2.284 10 0 CEAERO CC[NH+](CC)C(CC)(CC)[C@@H](O)Cc1ccnc(N)c1 ZINC000091615540 180207796 /nfs/dbraw/zinc/20/77/96/180207796.db2.gz FNEZTAMUGVKSHA-AWEZNQCLSA-N 1 0 279.428 2.468 10 0 CEAERO CCC[NH2+][C@H](c1cnccn1)[C@](C)(CC)N1CCOCC1 ZINC000091613100 180208101 /nfs/dbraw/zinc/20/81/01/180208101.db2.gz IEUSQAMPKPUTIC-CVEARBPZSA-N 1 0 292.427 2.018 10 0 CEAERO C[C@](O)(C[NH3+])Cc1nc(-c2ccc3ccccc3c2)no1 ZINC000091522895 180178319 /nfs/dbraw/zinc/17/83/19/180178319.db2.gz CAFWTFQXKQZMLC-MRXNPFEDSA-N 1 0 283.331 2.142 10 0 CEAERO CC[C@H](C)n1ccc(C[C@H](O)C(C)(C)[NH+](C)C)n1 ZINC000091528196 180180033 /nfs/dbraw/zinc/18/00/33/180180033.db2.gz AZFJNLAJCQMKHV-AAEUAGOBSA-N 1 0 253.390 2.098 10 0 CEAERO CCN(CC)C(C)(C)[C@H](Cc1cnn(CC)c1)[NH2+]C ZINC000091530756 180180337 /nfs/dbraw/zinc/18/03/37/180180337.db2.gz UJFKOBNRHDMDBM-AWEZNQCLSA-N 1 0 266.433 2.154 10 0 CEAERO CCN(CC)C(C)(C)[C@@H]([NH2+]C)c1cnn(CC)c1 ZINC000091531054 180180896 /nfs/dbraw/zinc/18/08/96/180180896.db2.gz CFNLAJUJHQCPIR-ZDUSSCGKSA-N 1 0 252.406 2.284 10 0 CEAERO COc1c(C)cnc(C[C@@H](N)C(C)(C)[NH+]2CCCC2)c1C ZINC000091533645 180181614 /nfs/dbraw/zinc/18/16/14/180181614.db2.gz KSYZVJRSQFLNKJ-OAHLLOKOSA-N 1 0 291.439 2.451 10 0 CEAERO C[NH2+][C@H](Cc1csc(C)n1)C(C)(C)N1CCCC1 ZINC000091534678 180181963 /nfs/dbraw/zinc/18/19/63/180181963.db2.gz OCNXRLPMYUOAPA-CYBMUJFWSA-N 1 0 267.442 2.456 10 0 CEAERO C[NH2+][C@H](Cc1ccn(C(C)C)n1)C(C)(C)N1CCCC1 ZINC000091534866 180182290 /nfs/dbraw/zinc/18/22/90/180182290.db2.gz WBGRAUWMBPFMPE-OAHLLOKOSA-N 1 0 278.444 2.469 10 0 CEAERO [NH3+]C1CC(CNC(=O)c2ccc(F)c(C(F)(F)F)c2)C1 ZINC000091538182 180183030 /nfs/dbraw/zinc/18/30/30/180183030.db2.gz YIPXRNSTAPFKNC-UHFFFAOYSA-N 1 0 290.260 2.312 10 0 CEAERO CCC(=O)Nc1cccc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000091539592 180183179 /nfs/dbraw/zinc/18/31/79/180183179.db2.gz WZHHWGNNKCBZNW-MNOVXSKESA-N 1 0 275.352 2.101 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](C(=O)N(Cc2ccc(F)cc2)C2CC2)C1 ZINC000091541265 180183578 /nfs/dbraw/zinc/18/35/78/180183578.db2.gz DDIBETGVIXRSIM-TZMCWYRMSA-N 1 0 276.355 2.444 10 0 CEAERO CCOc1cc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)ccc1OC ZINC000091544058 180185251 /nfs/dbraw/zinc/18/52/51/180185251.db2.gz CPFQIOPKPFUDND-MNOVXSKESA-N 1 0 278.352 2.160 10 0 CEAERO CCC(CC)N1C(=O)C[C@@H]([NH2+][C@@H](CC)C(C)C)C1=O ZINC000105028366 186038333 /nfs/dbraw/zinc/03/83/33/186038333.db2.gz UVMZNDJTKUSSEM-QWHCGFSZSA-N 1 0 268.401 2.327 10 0 CEAERO CCOC(=O)c1cc(C)sc1NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091546932 180187629 /nfs/dbraw/zinc/18/76/29/180187629.db2.gz DXKSSXZUYSUIBT-NXEZZACHSA-N 1 0 296.392 2.299 10 0 CEAERO CCN[C@H](Cc1ncnn1C)C(CC)(CC)[NH+](CC)CC ZINC000091634021 180210042 /nfs/dbraw/zinc/21/00/42/180210042.db2.gz GCDXYQFNFGBOBK-CQSZACIVSA-N 1 0 295.475 2.236 10 0 CEAERO CCCn1ncnc1C[C@@H](O)C(CC)(CC)[NH+]1CCCC1 ZINC000091634417 180210204 /nfs/dbraw/zinc/21/02/04/180210204.db2.gz KJHOXEGXUZLCPR-CQSZACIVSA-N 1 0 294.443 2.246 10 0 CEAERO CCCn1nccc1[C@@H](N)C1([NH+](C)C)CCCC1 ZINC000091637267 180210837 /nfs/dbraw/zinc/21/08/37/180210837.db2.gz BVMIMQUZJIKWSI-CYBMUJFWSA-N 1 0 250.390 2.167 10 0 CEAERO CCC(CC)([C@@H](O)c1cnccc1N)[NH+]1CCCC1 ZINC000091634667 180211378 /nfs/dbraw/zinc/21/13/78/180211378.db2.gz UHRSTCKVTZUGFG-AWEZNQCLSA-N 1 0 263.385 2.352 10 0 CEAERO C[NH2+][C@H](c1cc(C)cnc1N)C1(N(C)C)CCCC1 ZINC000091637590 180212434 /nfs/dbraw/zinc/21/24/34/180212434.db2.gz QTEZUURZNPARJE-CYBMUJFWSA-N 1 0 262.401 2.107 10 0 CEAERO CN[C@@H](c1nccn1C)C1([NH+]2CCCCC2)CCCC1 ZINC000091642123 180212953 /nfs/dbraw/zinc/21/29/53/180212953.db2.gz ODJINOACRNVXHW-AWEZNQCLSA-N 1 0 276.428 2.479 10 0 CEAERO CC[NH2+][C@H](c1ccc(OC)cc1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721805 180239718 /nfs/dbraw/zinc/23/97/18/180239718.db2.gz LNYBCKHJKXRKOT-HYVNUMGLSA-N 1 0 290.407 2.209 10 0 CEAERO CCn1nccc1[C@H]([NH2+]C)C1(N(C)C)CCCCC1 ZINC000091647405 180215360 /nfs/dbraw/zinc/21/53/60/180215360.db2.gz YXLNURQKIALXSO-AWEZNQCLSA-N 1 0 264.417 2.428 10 0 CEAERO CCn1ccnc1[C@H](NC)C1([NH+](C)C)CCCCC1 ZINC000091647605 180215486 /nfs/dbraw/zinc/21/54/86/180215486.db2.gz BTWAORDNUMDSQU-ZDUSSCGKSA-N 1 0 264.417 2.428 10 0 CEAERO C[NH2+][C@H](c1cccnc1N)C1(N(C)C)CCC(C)CC1 ZINC000091649297 180216471 /nfs/dbraw/zinc/21/64/71/180216471.db2.gz RKLQZAYORZHBTA-CXOJTPOUSA-N 1 0 276.428 2.435 10 0 CEAERO Cc1ccnc(N)c1[C@@H](N)C1([NH+](C)C)CCC(C)CC1 ZINC000091648748 180216664 /nfs/dbraw/zinc/21/66/64/180216664.db2.gz OWZPBRBLTFSQEH-OFWKBQFLSA-N 1 0 276.428 2.483 10 0 CEAERO CC(C)n1ncnc1C[C@@H](O)[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000091651101 180217026 /nfs/dbraw/zinc/21/70/26/180217026.db2.gz LMEPBOPCVWIXCR-FMKPAKJESA-N 1 0 294.443 2.273 10 0 CEAERO C[N@@H+]1CCC[C@@H]1CCOc1nc(Cl)ncc1F ZINC000091655013 180217168 /nfs/dbraw/zinc/21/71/68/180217168.db2.gz QHWADHUYNKEBID-MRVPVSSYSA-N 1 0 259.712 2.132 10 0 CEAERO Nc1ccc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(C(F)F)c1 ZINC000091662671 180219964 /nfs/dbraw/zinc/21/99/64/180219964.db2.gz QCAVRDXOWWKMMG-VXGBXAGGSA-N 1 0 297.349 2.482 10 0 CEAERO CCc1ccc(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000091714170 180231601 /nfs/dbraw/zinc/23/16/01/180231601.db2.gz QJBJIJGYYKXGKR-CABCVRRESA-N 1 0 259.349 2.295 10 0 CEAERO CN1CCO[C@H]([C@@H]([NH3+])Cc2ccc(C(C)(C)C)cc2)C1 ZINC000091717092 180232117 /nfs/dbraw/zinc/23/21/17/180232117.db2.gz UCCBMVIZRQHODZ-HOTGVXAUSA-N 1 0 276.424 2.185 10 0 CEAERO CCC[NH2+][C@H](c1ccccc1OC)[C@@H]1CN(C)CCO1 ZINC000091718987 180233761 /nfs/dbraw/zinc/23/37/61/180233761.db2.gz RXMZTKJEGSACFW-JKSUJKDBSA-N 1 0 278.396 2.067 10 0 CEAERO CC[NH2+][C@@H](c1cccc(Cl)c1)[C@@H]1CN(C)CCO1 ZINC000091718566 180233793 /nfs/dbraw/zinc/23/37/93/180233793.db2.gz AAOHXSYTFPPCBU-KBPBESRZSA-N 1 0 268.788 2.321 10 0 CEAERO CC[NH2+][C@@H](Cc1ccc(C)c(C)c1)[C@@H]1CN(C)CCO1 ZINC000091718594 180233799 /nfs/dbraw/zinc/23/37/99/180233799.db2.gz NLSHBZYLNZMFIV-IRXDYDNUSA-N 1 0 276.424 2.155 10 0 CEAERO CCC[NH2+][C@H](c1ccc(OC)cc1)[C@@H]1CN(C)CCO1 ZINC000091719255 180234341 /nfs/dbraw/zinc/23/43/41/180234341.db2.gz XTYKEKNSFOURFK-JKSUJKDBSA-N 1 0 278.396 2.067 10 0 CEAERO CC[NH2+][C@H](CCc1ccc(OC)cc1)CN(C)C ZINC000091719739 180234364 /nfs/dbraw/zinc/23/43/64/180234364.db2.gz JBMVOOKUYBVHEI-CQSZACIVSA-N 1 0 250.386 2.168 10 0 CEAERO CCCOc1ccc([C@H]([NH3+])[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000091720721 180237035 /nfs/dbraw/zinc/23/70/35/180237035.db2.gz BLJCRWMYGHFWMM-PVAVHDDUSA-N 1 0 290.407 2.338 10 0 CEAERO CCc1ccc(C[C@H]([NH2+]C)[C@H]2CN3CCC[C@@H]3CO2)s1 ZINC000091721370 180237753 /nfs/dbraw/zinc/23/77/53/180237753.db2.gz BHRYCJYYNDIONM-UHOFOFEASA-N 1 0 294.464 2.304 10 0 CEAERO CCc1ccc(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])o1 ZINC000091762936 180248294 /nfs/dbraw/zinc/24/82/94/180248294.db2.gz KOOHETLCWXZSKE-JQWIXIFHSA-N 1 0 250.342 2.089 10 0 CEAERO COCC[N@H+]([C@@H](C)COC)[C@@H](C)c1ccc(C(=O)OC)o1 ZINC000091781818 180253577 /nfs/dbraw/zinc/25/35/77/180253577.db2.gz JERIIDFAWAVJAP-RYUDHWBXSA-N 1 0 299.367 2.111 10 0 CEAERO C[NH2+][C@H](C)c1cccn1CC(=O)Nc1ccccc1 ZINC000091800740 180258934 /nfs/dbraw/zinc/25/89/34/180258934.db2.gz GMNWROXHOXKVCX-GFCCVEGCSA-N 1 0 257.337 2.407 10 0 CEAERO COc1ccccc1NC(=O)Cn1cccc1[C@H](C)[NH3+] ZINC000091799834 180259021 /nfs/dbraw/zinc/25/90/21/180259021.db2.gz MAYBZRJUNRQJTE-NSHDSACASA-N 1 0 273.336 2.155 10 0 CEAERO Cc1noc(CC[NH2+]Cc2cccc3[nH]ccc32)n1 ZINC000105469114 186058679 /nfs/dbraw/zinc/05/86/79/186058679.db2.gz UXUSDOQDFLILOZ-UHFFFAOYSA-N 1 0 256.309 2.192 10 0 CEAERO CCC[NH2+][C@@H](Cc1nc(CN(C)C)no1)C(C)(C)C ZINC000091747668 180245342 /nfs/dbraw/zinc/24/53/42/180245342.db2.gz HGSLXZWYOPDQCH-NSHDSACASA-N 1 0 268.405 2.088 10 0 CEAERO CCC[N@H+](Cc1ccc(C(=O)[O-])o1)C1CCC([NH3+])CC1 ZINC000091852276 180272606 /nfs/dbraw/zinc/27/26/06/180272606.db2.gz GLGFYBPASRYVCV-UHFFFAOYSA-N 1 0 280.368 2.460 10 0 CEAERO CCCN(C(=O)c1ccccn1)C1CCC([NH3+])CC1 ZINC000091852086 180272841 /nfs/dbraw/zinc/27/28/41/180272841.db2.gz RSYMUJJUXKVWMY-UHFFFAOYSA-N 1 0 261.369 2.204 10 0 CEAERO CCC[NH2+][C@@H](C)c1cccn1CC(=O)N(C)C(C)C ZINC000091802778 180260086 /nfs/dbraw/zinc/26/00/86/180260086.db2.gz VHCFTGUFUOMNNP-ZDUSSCGKSA-N 1 0 265.401 2.416 10 0 CEAERO CC[NH2+][C@H](C)c1ccn(CC(=O)NC(C)(C)CC)c1 ZINC000091805401 180260421 /nfs/dbraw/zinc/26/04/21/180260421.db2.gz AJLFBIGYITVNTB-GFCCVEGCSA-N 1 0 265.401 2.463 10 0 CEAERO CCCNC(=O)Cn1ccc([C@@H](CC)[NH2+]CCC)c1 ZINC000091817557 180262975 /nfs/dbraw/zinc/26/29/75/180262975.db2.gz WEFOVCNPAIHDPD-CQSZACIVSA-N 1 0 265.401 2.465 10 0 CEAERO CCC[C@@H](C)NC(=O)Cn1ccc([C@@H](CC)[NH2+]C)c1 ZINC000091816975 180262985 /nfs/dbraw/zinc/26/29/85/180262985.db2.gz SKEORQBPUNHHRW-TZMCWYRMSA-N 1 0 265.401 2.463 10 0 CEAERO CCC[C@@H]([NH2+]CC)c1ccn(Cc2nnc(C)n2C)c1 ZINC000091823166 180263934 /nfs/dbraw/zinc/26/39/34/180263934.db2.gz QWFILHONWFZPAC-CQSZACIVSA-N 1 0 275.400 2.424 10 0 CEAERO CCC[C@H]([NH2+]C)c1ccn(CCC(=O)NC(C)C)c1 ZINC000091821700 180264003 /nfs/dbraw/zinc/26/40/03/180264003.db2.gz VQWACIDHGCBLDF-AWEZNQCLSA-N 1 0 265.401 2.463 10 0 CEAERO O=C1NCCC[C@@]12CC[N@H+](C/C=C/c1ccccc1)C2 ZINC000091819910 180264047 /nfs/dbraw/zinc/26/40/47/180264047.db2.gz IEZSFYBMJVPWRA-AUNFYEFLSA-N 1 0 270.376 2.302 10 0 CEAERO CCC[C@H]([NH2+]C)c1ccn(CC(=O)NCC(F)(F)F)c1 ZINC000091822251 180264090 /nfs/dbraw/zinc/26/40/90/180264090.db2.gz GYMLMMXAJLTNMZ-NSHDSACASA-N 1 0 291.317 2.227 10 0 CEAERO CCC[C@H]([NH3+])c1ccn(CC(=O)N(C)C(C)C)c1 ZINC000091821056 180264097 /nfs/dbraw/zinc/26/40/97/180264097.db2.gz GHWZXFOHYCQFHW-ZDUSSCGKSA-N 1 0 251.374 2.155 10 0 CEAERO CC[C@H](C)NC(=O)Cn1ccc([C@@H]([NH3+])C(C)C)c1 ZINC000091825604 180264567 /nfs/dbraw/zinc/26/45/67/180264567.db2.gz HBDXKYAFUPFZDS-FZMZJTMJSA-N 1 0 251.374 2.059 10 0 CEAERO C[NH2+][C@@H](c1ccn(CC(=O)OC(C)C)c1)C(C)C ZINC000091827181 180264800 /nfs/dbraw/zinc/26/48/00/180264800.db2.gz TWUOMTDJJNYETM-CQSZACIVSA-N 1 0 252.358 2.356 10 0 CEAERO CC[NH2+][C@H](c1ccn(CCC(=O)NC(C)C)c1)C1CC1 ZINC000091837714 180268350 /nfs/dbraw/zinc/26/83/50/180268350.db2.gz KHPPMDOJDZOLQX-INIZCTEOSA-N 1 0 277.412 2.463 10 0 CEAERO NC(=O)c1cc(Cl)ccc1NC1CCC([NH3+])CC1 ZINC000091843584 180269434 /nfs/dbraw/zinc/26/94/34/180269434.db2.gz WEAANKJGSAWDNL-UHFFFAOYSA-N 1 0 267.760 2.121 10 0 CEAERO COC(C[C@@](C)(O)C1(C[NH3+])CCC(C)(C)CC1)OC ZINC000091925660 180287594 /nfs/dbraw/zinc/28/75/94/180287594.db2.gz ZZLAFLGZZQJEGJ-CQSZACIVSA-N 1 0 273.417 2.292 10 0 CEAERO C[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000105642499 186067191 /nfs/dbraw/zinc/06/71/91/186067191.db2.gz KFTQOHQAZJCPSJ-UHFFFAOYSA-N 1 0 254.127 2.444 10 0 CEAERO [NH3+]Cc1ccc(-c2csc(N3CCOCC3)n2)cc1 ZINC000091960291 180292273 /nfs/dbraw/zinc/29/22/73/180292273.db2.gz SGDNAFLTGTYHGQ-UHFFFAOYSA-N 1 0 275.377 2.105 10 0 CEAERO O=C(N1CCCCC1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000091969464 180294597 /nfs/dbraw/zinc/29/45/97/180294597.db2.gz CDZUUAKUBPUOFH-UONOGXRCSA-N 1 0 265.401 2.199 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)c2ccc(Cl)cn2)CC1 ZINC000091872060 180277819 /nfs/dbraw/zinc/27/78/19/180277819.db2.gz AFZDTTIWWJFDGW-UHFFFAOYSA-N 1 0 281.787 2.338 10 0 CEAERO C[NH2+]C1CCC(NC(=O)c2ccc3[nH]ccc3c2)CC1 ZINC000091871720 180278192 /nfs/dbraw/zinc/27/81/92/180278192.db2.gz PIPOUUXXVDECMF-UHFFFAOYSA-N 1 0 271.364 2.428 10 0 CEAERO [NH3+]C[C@]1(C2(O)CCC(c3ccccc3)CC2)CCOC1 ZINC000091904742 180283887 /nfs/dbraw/zinc/28/38/87/180283887.db2.gz MPSANTZCXDCILE-AQFXKWCLSA-N 1 0 275.392 2.441 10 0 CEAERO Cc1ccc([C@H](O)[C@@]2(C[NH3+])CCOc3ccccc32)o1 ZINC000091909185 180284571 /nfs/dbraw/zinc/28/45/71/180284571.db2.gz NIJZVWWRRILTLD-JKSUJKDBSA-N 1 0 273.332 2.301 10 0 CEAERO CCCOc1cccc([C@H](O)C2(C[NH3+])CCOCC2)c1 ZINC000091908833 180284602 /nfs/dbraw/zinc/28/46/02/180284602.db2.gz FHXMEPNOPVUTAD-HNNXBMFYSA-N 1 0 279.380 2.264 10 0 CEAERO COc1ccccc1[C@H](O)C1(C[NH3+])Cc2ccccc2C1 ZINC000091908566 180284605 /nfs/dbraw/zinc/28/46/05/180284605.db2.gz KVKJNKSFHOODBR-KRWDZBQOSA-N 1 0 283.371 2.473 10 0 CEAERO [NH3+]C[C@@]1([C@H](O)c2cccs2)CCOc2ccccc21 ZINC000091910090 180284878 /nfs/dbraw/zinc/28/48/78/180284878.db2.gz JTZLOWSCPUHDIX-CABCVRRESA-N 1 0 275.373 2.461 10 0 CEAERO [NH3+]C[C@@]1([C@H](O)c2ccsc2)CCOc2ccccc21 ZINC000091909750 180284883 /nfs/dbraw/zinc/28/48/83/180284883.db2.gz DMINDVDLGNTOJE-CABCVRRESA-N 1 0 275.373 2.461 10 0 CEAERO COc1cc([C@H](O)C2(C[NH3+])CCCC2)cc(OC)c1OC ZINC000091910203 180285086 /nfs/dbraw/zinc/28/50/86/180285086.db2.gz MHZLWXFTBPWANV-HNNXBMFYSA-N 1 0 295.379 2.265 10 0 CEAERO CCc1ccc([C@@H](O)C2(C[NH3+])CCOCC2)s1 ZINC000091912918 180285280 /nfs/dbraw/zinc/28/52/80/180285280.db2.gz JGTDTPLLKLXSCW-GFCCVEGCSA-N 1 0 255.383 2.099 10 0 CEAERO [NH3+]CC1([C@@H](O)c2ccnc3ccccc32)CCOCC1 ZINC000091912313 180285349 /nfs/dbraw/zinc/28/53/49/180285349.db2.gz XFSSCNYBRNOVRL-HNNXBMFYSA-N 1 0 272.348 2.024 10 0 CEAERO [NH3+]C[C@]1([C@@H](O)Cc2ccccc2)CCOc2ccccc21 ZINC000091914018 180285571 /nfs/dbraw/zinc/28/55/71/180285571.db2.gz PUHIEVHHXHPGCM-ZWKOTPCHSA-N 1 0 283.371 2.269 10 0 CEAERO CCn1cncc1[C@H](O)[C@]1(C[NH3+])CCc2ccccc2C1 ZINC000091926153 180287152 /nfs/dbraw/zinc/28/71/52/180287152.db2.gz XKWZOHRIMCNPQC-DLBZAZTESA-N 1 0 285.391 2.070 10 0 CEAERO [NH3+]CCN(Cc1ccccc1)C(=O)N1CCCCCC1 ZINC000091971059 180295091 /nfs/dbraw/zinc/29/50/91/180295091.db2.gz KYXDUTRZECINJT-UHFFFAOYSA-N 1 0 275.396 2.443 10 0 CEAERO CCN1CCO[C@H](C[NH2+]CCc2ccc(Cl)cc2)C1 ZINC000092052307 180312563 /nfs/dbraw/zinc/31/25/63/180312563.db2.gz HXFWEAOGWNLBJV-OAHLLOKOSA-N 1 0 282.815 2.193 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000091972088 180295597 /nfs/dbraw/zinc/29/55/97/180295597.db2.gz WEALDOVCYGBZIF-IYXRBSQSSA-N 1 0 267.417 2.301 10 0 CEAERO CC1CCN(C(=O)Nc2ccc(CC[NH3+])cc2)CC1 ZINC000091972734 180296043 /nfs/dbraw/zinc/29/60/43/180296043.db2.gz AYVFCZMSWHFOGK-UHFFFAOYSA-N 1 0 261.369 2.452 10 0 CEAERO C[C@H]1CCCN(C(=O)NC2(C[NH3+])CCCCC2)C1 ZINC000091972811 180296107 /nfs/dbraw/zinc/29/61/07/180296107.db2.gz DTHCJJKMIVETPM-LBPRGKRZSA-N 1 0 253.390 2.090 10 0 CEAERO C[C@H]1CCCN(C(=O)N(C)c2cccc(C[NH3+])c2)C1 ZINC000091972750 180296242 /nfs/dbraw/zinc/29/62/42/180296242.db2.gz IYCUFBQDPJNFTL-LBPRGKRZSA-N 1 0 261.369 2.433 10 0 CEAERO CCN(C)C(=O)N(CC)[C@]1(C[NH3+])CCC[C@H](C)C1 ZINC000091972876 180296303 /nfs/dbraw/zinc/29/63/03/180296303.db2.gz MRNGVDYBWQKXDX-GXTWGEPZSA-N 1 0 255.406 2.288 10 0 CEAERO CO[C@H]1CCC[C@@H](Oc2ccc(C)nc2C[NH3+])C1 ZINC000091993761 180300958 /nfs/dbraw/zinc/30/09/58/180300958.db2.gz XOXIYNZNDYLHOB-NWDGAFQWSA-N 1 0 250.342 2.185 10 0 CEAERO CC[NH2+]Cc1nc(C)ccc1O[C@H](C)C(=O)N(CC)CC ZINC000091994664 180300991 /nfs/dbraw/zinc/30/09/91/180300991.db2.gz FRSIBYBJQWHSPH-CYBMUJFWSA-N 1 0 293.411 2.135 10 0 CEAERO CCCCNC(=O)COc1ccc(C)nc1C[NH2+]C(C)C ZINC000091995389 180301876 /nfs/dbraw/zinc/30/18/76/180301876.db2.gz AJHSPZPKRVVLNS-UHFFFAOYSA-N 1 0 293.411 2.183 10 0 CEAERO C[C@@H](C[NH2+]Cc1ccc(-n2ccnc2)cc1)N1CCCC1 ZINC000092022517 180308004 /nfs/dbraw/zinc/30/80/04/180308004.db2.gz MMESVEMBUGJLBQ-HNNXBMFYSA-N 1 0 284.407 2.446 10 0 CEAERO CC[NH2+][C@@H](C)c1cccc(-n2ccc(C(=O)N(C)C)n2)c1 ZINC000092024200 180308565 /nfs/dbraw/zinc/30/85/65/180308565.db2.gz RMBWXAYFFKPQFD-LBPRGKRZSA-N 1 0 286.379 2.245 10 0 CEAERO CC(C)[NH2+]CCn1nnnc1SC/C(Cl)=C/Cl ZINC000092026225 180308870 /nfs/dbraw/zinc/30/88/70/180308870.db2.gz TYJPLRXNBFAFOV-YVMONPNESA-N 1 0 296.227 2.082 10 0 CEAERO C[C@H]1CN(C(=O)CC2CCC(C[NH3+])CC2)C[C@@H]1C ZINC000092113017 180327467 /nfs/dbraw/zinc/32/74/67/180327467.db2.gz IMPMNEMEHDHLJN-FEPKRQSRSA-N 1 0 252.402 2.256 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC000092133181 180330647 /nfs/dbraw/zinc/33/06/47/180330647.db2.gz NYYCXLZGBURDHE-RISCZKNCSA-N 1 0 266.360 2.495 10 0 CEAERO C[NH2+][C@@H](Cc1nc(C(C)(C)OC)no1)C(C)(C)C ZINC000092141533 180334268 /nfs/dbraw/zinc/33/42/68/180334268.db2.gz CTODAUCNJIEWHG-VIFPVBQESA-N 1 0 255.362 2.128 10 0 CEAERO CCC[NH2+][C@@H](C)[C@H](C)c1nc(C(C)(C)OC)no1 ZINC000092141622 180334405 /nfs/dbraw/zinc/33/44/05/180334405.db2.gz AJPHNQIQLHXWRV-UWVGGRQHSA-N 1 0 255.362 2.443 10 0 CEAERO C[C@H]1CN(c2cncc(C[NH2+]C(C)(C)C)n2)C[C@H]1C ZINC000092088907 180321482 /nfs/dbraw/zinc/32/14/82/180321482.db2.gz TVDUGOCKQRQBGB-TXEJJXNPSA-N 1 0 262.401 2.457 10 0 CEAERO CCC[NH2+][C@@H](C)CCCCN1C(=O)[C@H](C)[C@H](C)C1=O ZINC000092093995 180323071 /nfs/dbraw/zinc/32/30/71/180323071.db2.gz FTVSFNCPTYNABJ-RWMBFGLXSA-N 1 0 268.401 2.186 10 0 CEAERO COc1cc(NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)c(OC)cc1Cl ZINC000092201224 180342925 /nfs/dbraw/zinc/34/29/25/180342925.db2.gz PLZCDLWCTHOUON-RKDXNWHRSA-N 1 0 296.754 2.199 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)Nc2ccc(Cl)cc2F)C1 ZINC000092203223 180343465 /nfs/dbraw/zinc/34/34/65/180343465.db2.gz NOQKVBPNMXYGDF-IONNQARKSA-N 1 0 254.692 2.321 10 0 CEAERO CCOc1cc(C)ccc1NC(=O)[C@H]1C=C[C@H]([NH3+])C1 ZINC000092204193 180343609 /nfs/dbraw/zinc/34/36/09/180343609.db2.gz FRJVADFQPCTYGQ-RYUDHWBXSA-N 1 0 260.337 2.236 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)N2CC=C(c3ccccc3)CC2)C1 ZINC000092204769 180343722 /nfs/dbraw/zinc/34/37/22/180343722.db2.gz ABXCQYMRODYAHH-JKSUJKDBSA-N 1 0 268.360 2.206 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)N(Cc2ccco2)CC(F)(F)F)C1 ZINC000092204532 180343872 /nfs/dbraw/zinc/34/38/72/180343872.db2.gz XDWZMGPPUIMNIS-ZJUUUORDSA-N 1 0 288.269 2.074 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)N(Cc2ccco2)CC(F)(F)F)C1 ZINC000092204530 180343884 /nfs/dbraw/zinc/34/38/84/180343884.db2.gz XDWZMGPPUIMNIS-NXEZZACHSA-N 1 0 288.269 2.074 10 0 CEAERO C[C@H](NC(=O)[C@H]1C=C[C@@H]([NH3+])C1)c1ccccc1Cl ZINC000092206701 180344379 /nfs/dbraw/zinc/34/43/79/180344379.db2.gz VPZQNJRINAXCMI-GARJFASQSA-N 1 0 264.756 2.421 10 0 CEAERO CCN(C(=O)[C@H]1Cc2ccccc2S1)[C@@H]1CCC[NH2+]C1 ZINC000092232139 180348733 /nfs/dbraw/zinc/34/87/33/180348733.db2.gz BSPAITFZCXIKAU-UKRRQHHQSA-N 1 0 290.432 2.304 10 0 CEAERO C[C@H]1C[NH2+]C(C)(C)CN1C[C@@H]1COc2ccccc21 ZINC000092307316 180360315 /nfs/dbraw/zinc/36/03/15/180360315.db2.gz UPFTVGFKQMQMDZ-QWHCGFSZSA-N 1 0 260.381 2.235 10 0 CEAERO Cc1nn(C[C@H]2COc3ccccc32)c(C)c1CC[NH3+] ZINC000092306321 180360323 /nfs/dbraw/zinc/36/03/23/180360323.db2.gz DILBIQFDAIWTKI-ZDUSSCGKSA-N 1 0 271.364 2.177 10 0 CEAERO CC[C@](C)(O)C[NH2+]C[C@@H]1Cc2ccccc2S1 ZINC000092244724 180352139 /nfs/dbraw/zinc/35/21/39/180352139.db2.gz HTUWNMNHVBUZRT-JSGCOSHPSA-N 1 0 251.395 2.454 10 0 CEAERO CC[NH2+]Cc1cn(C[C@@H]2COc3ccccc32)nc1C ZINC000092306686 180360418 /nfs/dbraw/zinc/36/04/18/180360418.db2.gz XVXTXRZHPDCMBO-CQSZACIVSA-N 1 0 271.364 2.477 10 0 CEAERO COc1cccc(Cc2noc([C@@H]3C=C[C@H]([NH3+])C3)n2)c1 ZINC000092181536 180338940 /nfs/dbraw/zinc/33/89/40/180338940.db2.gz SRFFHGNTKOATCB-NEPJUHHUSA-N 1 0 271.320 2.040 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](c2nc(Cc3ccc(F)cc3F)no2)C1 ZINC000092181945 180338954 /nfs/dbraw/zinc/33/89/54/180338954.db2.gz URMPRNKQKZVJIL-MWLCHTKSSA-N 1 0 277.274 2.309 10 0 CEAERO [NH3+][C@H]1C=C[C@H](c2nc(CCc3ccccc3)no2)C1 ZINC000092181547 180339038 /nfs/dbraw/zinc/33/90/38/180339038.db2.gz RRTJKYJIDHEWPQ-STQMWFEESA-N 1 0 255.321 2.226 10 0 CEAERO CCC[NH2+][C@@H](CN1C(=O)C[C@H](C)C1=O)c1ccc(C)cc1 ZINC000105832465 186075358 /nfs/dbraw/zinc/07/53/58/186075358.db2.gz WEBWZYLDBHVBAT-ZFWWWQNUSA-N 1 0 288.391 2.431 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](c2nc(Cc3cc(F)cc(F)c3)no2)C1 ZINC000092181560 180339087 /nfs/dbraw/zinc/33/90/87/180339087.db2.gz MBFSJPDSPYPIFB-SKDRFNHKSA-N 1 0 277.274 2.309 10 0 CEAERO COc1ccccc1OCC[NH2+]CCCSC ZINC000105838179 186076891 /nfs/dbraw/zinc/07/68/91/186076891.db2.gz VYWZMKWLZRLCMR-UHFFFAOYSA-N 1 0 255.383 2.417 10 0 CEAERO COc1cccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1 ZINC000105919689 186089477 /nfs/dbraw/zinc/08/94/77/186089477.db2.gz OSMBHNDSFXFMNO-HNNXBMFYSA-N 1 0 286.379 2.199 10 0 CEAERO COCCCCC[N@@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000105919741 186089631 /nfs/dbraw/zinc/08/96/31/186089631.db2.gz KTIZYKHGWMAXNP-INIZCTEOSA-N 1 0 294.443 2.424 10 0 CEAERO CC[NH2+]CCc1c(CC)nc(-c2ccn(C)n2)nc1CC ZINC000092318638 180361905 /nfs/dbraw/zinc/36/19/05/180361905.db2.gz GFOCGVBPLJEPFB-UHFFFAOYSA-N 1 0 287.411 2.154 10 0 CEAERO Cc1nn(C)c(C)c1C[NH2+][C@@H](C)c1c(C)nn(C)c1C ZINC000092324870 180362291 /nfs/dbraw/zinc/36/22/91/180362291.db2.gz WLICCVKFXZMVMS-JTQLQIEISA-N 1 0 275.400 2.238 10 0 CEAERO C[NH2+]C1(CC(=O)NCc2c(C)noc2C)CCCCC1 ZINC000092330438 180364038 /nfs/dbraw/zinc/36/40/38/180364038.db2.gz IEZUUBVOEXEKTN-UHFFFAOYSA-N 1 0 279.384 2.220 10 0 CEAERO CC[C@@H]1CN(Cc2ccc(F)cc2)CC[N@@H+]1CCOC ZINC000106113384 186102851 /nfs/dbraw/zinc/10/28/51/186102851.db2.gz NGVAHFUXQRLZTN-MRXNPFEDSA-N 1 0 280.387 2.368 10 0 CEAERO Cc1nn(C)c(C)c1CNC1=[NH+]C(C)(C)CS1 ZINC000092341155 180365898 /nfs/dbraw/zinc/36/58/98/180365898.db2.gz YVCQOMWDNGZIGV-UHFFFAOYSA-N 1 0 252.387 2.008 10 0 CEAERO Cc1nn(C)c(C)c1CNC1=[NH+]C[C@@H](C2CC2)S1 ZINC000092341163 180366080 /nfs/dbraw/zinc/36/60/80/180366080.db2.gz BABXCVCLXCXDMH-LBPRGKRZSA-N 1 0 264.398 2.008 10 0 CEAERO Cc1nn(C)c(C)c1Cn1cncc1C[NH2+]CC(C)C ZINC000092343679 180366346 /nfs/dbraw/zinc/36/63/46/180366346.db2.gz BFUBFBNTZQYDTD-UHFFFAOYSA-N 1 0 275.400 2.027 10 0 CEAERO Cc1cc(NC(=O)[C@H](C[NH3+])Cc2ccccc2)ccn1 ZINC000092349302 180366930 /nfs/dbraw/zinc/36/69/30/180366930.db2.gz VCWKMPCGGVSLSN-AWEZNQCLSA-N 1 0 269.348 2.146 10 0 CEAERO C[C@H]([NH3+])Cc1nccn1Cc1ccnc2ccccc12 ZINC000092364798 180368343 /nfs/dbraw/zinc/36/83/43/180368343.db2.gz TZRFQUYMRYEKEQ-LBPRGKRZSA-N 1 0 266.348 2.369 10 0 CEAERO COc1ccc2c(c1)[C@@](CO)([NH2+]CC1CC1)CCC2 ZINC000092387549 180374376 /nfs/dbraw/zinc/37/43/76/180374376.db2.gz RCPTVOKATRYGEO-MRXNPFEDSA-N 1 0 261.365 2.219 10 0 CEAERO C[NH2+][C@H]1c2cc(OC)ccc2CC[C@H]1Sc1nc[nH]n1 ZINC000092389672 180375318 /nfs/dbraw/zinc/37/53/18/180375318.db2.gz GYLSXKYEFABFMN-OLZOCXBDSA-N 1 0 290.392 2.181 10 0 CEAERO CC(C)[C@H](CO)[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000092392106 180375828 /nfs/dbraw/zinc/37/58/28/180375828.db2.gz NZKKUJLJAUXNJX-LBPRGKRZSA-N 1 0 285.771 2.218 10 0 CEAERO CNc1cc[nH+]c(CN(CCOC)[C@H](C)C2CC2)c1 ZINC000092418695 180380718 /nfs/dbraw/zinc/38/07/18/180380718.db2.gz DVDREXYCGQBKIQ-GFCCVEGCSA-N 1 0 263.385 2.370 10 0 CEAERO C[C@H]1CCCN(Cc2cc(Cl)ccn2)[C@@H]1C[NH3+] ZINC000092417262 180381080 /nfs/dbraw/zinc/38/10/80/180381080.db2.gz SZFVXGCGPJSNEB-GXFFZTMASA-N 1 0 253.777 2.294 10 0 CEAERO CCNc1cc[nH+]c(CSc2nnc(C)n2C)c1 ZINC000092421025 180381887 /nfs/dbraw/zinc/38/18/87/180381887.db2.gz AOAUPDSBJATGBU-UHFFFAOYSA-N 1 0 263.370 2.243 10 0 CEAERO CCCNc1cc[nH+]c(CN2C(=O)[C@@H](C)[C@H](C)C2=O)c1 ZINC000092419976 180381987 /nfs/dbraw/zinc/38/19/87/180381987.db2.gz HYHWGRKXTYBUQW-QWRGUYRKSA-N 1 0 275.352 2.045 10 0 CEAERO C[NH2+][C@H]1c2cc(OC)ccc2CC[C@@H]1n1nc(C)nc1C ZINC000092386148 180373719 /nfs/dbraw/zinc/37/37/19/180373719.db2.gz PTUAGONYMLHAIR-HOTGVXAUSA-N 1 0 286.379 2.352 10 0 CEAERO Cc1cccc(COc2ccc(CC(N)=[NH2+])cc2)n1 ZINC000092429788 180384366 /nfs/dbraw/zinc/38/43/66/180384366.db2.gz ULCIPDGQWCFUFX-UHFFFAOYSA-N 1 0 255.321 2.447 10 0 CEAERO CC[C@@H]([NH2+][C@H]1CC(=O)N(C(C)C)C1=O)c1ccccc1 ZINC000106923597 186151258 /nfs/dbraw/zinc/15/12/58/186151258.db2.gz GRYRWRVQRRPXPW-KGLIPLIRSA-N 1 0 274.364 2.263 10 0 CEAERO CC[C@@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1=O)c1ccccc1 ZINC000106923614 186151619 /nfs/dbraw/zinc/15/16/19/186151619.db2.gz VPNUWLZKQJGGFC-KGLIPLIRSA-N 1 0 272.348 2.017 10 0 CEAERO C[NH+]1CCC(NC(=O)[C@H]2C[C@H]2C2CCCCC2)CC1 ZINC000173401142 282710274 /nfs/dbraw/zinc/71/02/74/282710274.db2.gz KKIZYPVQRLOXDC-GJZGRUSLSA-N 1 0 264.413 2.413 10 0 CEAERO Cc1cc(-c2ccccc2)nc([C@@H](C)N2CC[NH2+]CC2)n1 ZINC000109475738 186255412 /nfs/dbraw/zinc/25/54/12/186255412.db2.gz DFBMUPKQDGFDOL-CQSZACIVSA-N 1 0 282.391 2.418 10 0 CEAERO C[NH2+][C@H](Cc1nc(Cc2ccccc2)no1)C1CC1 ZINC000109497195 186256436 /nfs/dbraw/zinc/25/64/36/186256436.db2.gz ZQOLJIWEUBTDNH-CYBMUJFWSA-N 1 0 257.337 2.201 10 0 CEAERO CCC[NH2+][C@H](CC)Cc1nc(-c2ccncc2)no1 ZINC000109498428 186256448 /nfs/dbraw/zinc/25/64/48/186256448.db2.gz WIOGFJHMKZOPBB-GFCCVEGCSA-N 1 0 260.341 2.452 10 0 CEAERO CC[NH2+][C@@H]1CCCC[C@H]1c1nc(C[C@@H]2CCCO2)no1 ZINC000109495785 186256878 /nfs/dbraw/zinc/25/68/78/186256878.db2.gz PUNAOSQKWSVFAL-YNEHKIRRSA-N 1 0 279.384 2.427 10 0 CEAERO C[NH2+][C@@H]1CCCC[C@@H]1c1nc(-c2cccnc2)no1 ZINC000109495366 186256962 /nfs/dbraw/zinc/25/69/62/186256962.db2.gz SAXWBPKGICQFDK-NWDGAFQWSA-N 1 0 258.325 2.377 10 0 CEAERO CCC[NH2+][C@@H](Cc1nc(-c2ncccn2)no1)C(C)(C)C ZINC000109505441 186257130 /nfs/dbraw/zinc/25/71/30/186257130.db2.gz HMQMCHSQGOUIBM-NSHDSACASA-N 1 0 289.383 2.483 10 0 CEAERO C[NH2+][C@H](Cc1nc(-c2ccccc2OC)no1)C1CC1 ZINC000109503898 186257810 /nfs/dbraw/zinc/25/78/10/186257810.db2.gz RYWSITBUIGXDIN-GFCCVEGCSA-N 1 0 273.336 2.286 10 0 CEAERO C[NH2+][C@@H]1CCCC[C@H]1c1nc(Cc2ccccn2)no1 ZINC000109499715 186257812 /nfs/dbraw/zinc/25/78/12/186257812.db2.gz CLOYWASRGXKLQF-CHWSQXEVSA-N 1 0 272.352 2.301 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1c1nc(Cc2ccc(F)cc2)no1 ZINC000109501336 186257820 /nfs/dbraw/zinc/25/78/20/186257820.db2.gz KEGVGDOQSTVDEX-VXGBXAGGSA-N 1 0 261.300 2.394 10 0 CEAERO C[NH2+][C@H]1CCC[C@@H]1c1nc(Cc2nc(C)cs2)no1 ZINC000109510999 186258265 /nfs/dbraw/zinc/25/82/65/186258265.db2.gz JICJEQWTKNSMIW-UWVGGRQHSA-N 1 0 278.381 2.281 10 0 CEAERO C[NH2+][C@@H](Cc1nc(Cc2cccs2)no1)C1CC1 ZINC000109510530 186258272 /nfs/dbraw/zinc/25/82/72/186258272.db2.gz PAUKEIPPTGMOEF-NSHDSACASA-N 1 0 263.366 2.262 10 0 CEAERO C[NH2+][C@H](Cc1nc(Cc2cccnc2)no1)C(C)(C)C ZINC000109510712 186258391 /nfs/dbraw/zinc/25/83/91/186258391.db2.gz RVRGAONCZYDGCK-GFCCVEGCSA-N 1 0 274.368 2.232 10 0 CEAERO COC[C@H]([NH3+])Cc1nc(C23CC4CC(CC(C4)C2)C3)no1 ZINC000109511268 186258720 /nfs/dbraw/zinc/25/87/20/186258720.db2.gz UFRHYWCYCLRGGU-RRHJKOLHSA-N 1 0 291.395 2.054 10 0 CEAERO [NH3+][C@@H](Cc1nc(-c2cc(F)c(F)c(F)c2)no1)C1CC1 ZINC000109520988 186258745 /nfs/dbraw/zinc/25/87/45/186258745.db2.gz CKTQYYZPTDTDGO-JTQLQIEISA-N 1 0 283.253 2.434 10 0 CEAERO CC[C@H](Cc1nc(Cc2ccc(OC)cc2)no1)[NH2+]C ZINC000109520851 186258914 /nfs/dbraw/zinc/25/89/14/186258914.db2.gz OCTAEDZBNBTPPQ-GFCCVEGCSA-N 1 0 275.352 2.210 10 0 CEAERO CCC[NH2+][C@@H](C)[C@H](C)c1nc(COCCC)no1 ZINC000109519870 186259301 /nfs/dbraw/zinc/25/93/01/186259301.db2.gz AAJVPDNFVWSKKA-QWRGUYRKSA-N 1 0 255.362 2.488 10 0 CEAERO CCCCOC[C@H](O)C[N@@H+]1CCC(F)(F)C[C@@H]1C ZINC000625980897 350619515 /nfs/dbraw/zinc/61/95/15/350619515.db2.gz WSYKOAUQLIRKTQ-NWDGAFQWSA-N 1 0 265.344 2.284 10 0 CEAERO C[C@H]([NH3+])c1cccc(NC(=O)N[C@H]2CCCOC2)c1 ZINC000109552765 186262756 /nfs/dbraw/zinc/26/27/56/186262756.db2.gz BXVBUTIWOWNRFX-GWCFXTLKSA-N 1 0 263.341 2.007 10 0 CEAERO CCC[NH2+][C@H]1C(=O)Nc2cc(OC[C@@H]3CCCO3)ccc21 ZINC000109573894 186263509 /nfs/dbraw/zinc/26/35/09/186263509.db2.gz RFKANESVCBQTQI-SWLSCSKDSA-N 1 0 290.363 2.237 10 0 CEAERO C[NH2+][C@H]1c2ccc(-n3nc(C)c(C)c3C)cc2NC1=O ZINC000109572970 186264166 /nfs/dbraw/zinc/26/41/66/186264166.db2.gz GHSGHFCHDXIYSJ-AWEZNQCLSA-N 1 0 270.336 2.010 10 0 CEAERO C[C@@H](O)c1cc(F)ccc1N1CCC[C@H]1C[NH+](C)C ZINC000109584186 186264435 /nfs/dbraw/zinc/26/44/35/186264435.db2.gz JBJDIKDSJYJYLO-YPMHNXCESA-N 1 0 266.360 2.409 10 0 CEAERO Cc1cc(C)c([C@H](C)[NH2+]CCc2nncn2C)c(C)n1 ZINC000109422535 186251224 /nfs/dbraw/zinc/25/12/24/186251224.db2.gz XMYSULZPMDVYEY-LBPRGKRZSA-N 1 0 273.384 2.029 10 0 CEAERO CCC[C@H](C)CN1CC[NH+]([C@@H](CC)C(N)=S)CC1 ZINC000109469408 186253650 /nfs/dbraw/zinc/25/36/50/186253650.db2.gz OYJBZVTVBBHLDI-STQMWFEESA-N 1 0 271.474 2.105 10 0 CEAERO CCC[C@@H](C(N)=S)[NH+]1CCN(CCC(C)C)CC1 ZINC000109470055 186253682 /nfs/dbraw/zinc/25/36/82/186253682.db2.gz YQQBJLQMYWUXCB-ZDUSSCGKSA-N 1 0 271.474 2.105 10 0 CEAERO CCC[C@H](C[NH3+])N1CCN(Cc2cccc(F)c2)CC1 ZINC000109462832 186253905 /nfs/dbraw/zinc/25/39/05/186253905.db2.gz XBZCULGRWKAFAE-MRXNPFEDSA-N 1 0 279.403 2.071 10 0 CEAERO CCCc1cc(C)nc([C@@H](CC)N2CC[NH2+]CC2)n1 ZINC000109475848 186254729 /nfs/dbraw/zinc/25/47/29/186254729.db2.gz LEJYLHAAXSBGOT-CQSZACIVSA-N 1 0 262.401 2.094 10 0 CEAERO CCC[C@H](C(N)=S)[NH+]1CCN(C[C@@H](C)CC)CC1 ZINC000109470207 186254907 /nfs/dbraw/zinc/25/49/07/186254907.db2.gz YVHZSAXIKLNGDC-QWHCGFSZSA-N 1 0 271.474 2.105 10 0 CEAERO CC[C@@H](c1noc(-c2cccc(C)c2)n1)N1CC[NH2+]CC1 ZINC000109474615 186255211 /nfs/dbraw/zinc/25/52/11/186255211.db2.gz CWVSKTKWJQXYRC-AWEZNQCLSA-N 1 0 286.379 2.401 10 0 CEAERO CCc1ccc(-c2nc([C@@H](C)N3CC[NH2+]CC3)no2)s1 ZINC000109474326 186255331 /nfs/dbraw/zinc/25/53/31/186255331.db2.gz FGWUMRBYSCQFJD-SNVBAGLBSA-N 1 0 292.408 2.327 10 0 CEAERO CCc1nc(N2CC[C@H]([NH+](CC)CC)C2)sc1CO ZINC000110276201 186290025 /nfs/dbraw/zinc/29/00/25/186290025.db2.gz MBSJKJMBAZZRCP-NSHDSACASA-N 1 0 283.441 2.118 10 0 CEAERO CC[C@H](c1nc(CC(F)(F)F)no1)[C@H](C)[NH2+]C ZINC000110461366 186296960 /nfs/dbraw/zinc/29/69/60/186296960.db2.gz YLICIXJTYRIAKV-BQBZGAKWSA-N 1 0 251.252 2.276 10 0 CEAERO CC[C@@H]([NH3+])[C@H](C)c1nc(COc2ccccc2)no1 ZINC000110470197 186297742 /nfs/dbraw/zinc/29/77/42/186297742.db2.gz CPUXGGVDRMSKRH-CMPLNLGQSA-N 1 0 261.325 2.489 10 0 CEAERO CCCOCc1noc([C@H](C)[C@@H](CC)[NH2+]CC)n1 ZINC000110470702 186298168 /nfs/dbraw/zinc/29/81/68/186298168.db2.gz LINWDEIEUUPOSP-GHMZBOCLSA-N 1 0 255.362 2.488 10 0 CEAERO CC[NH2+][C@@H](CC)[C@@H](C)c1nc(-c2ncccn2)no1 ZINC000110470024 186298178 /nfs/dbraw/zinc/29/81/78/186298178.db2.gz WPPMZSLHZXVMRG-ZJUUUORDSA-N 1 0 261.329 2.018 10 0 CEAERO CC(C)(C)[NH2+]Cc1ccnc(O[C@@H]2CCOC2)c1 ZINC000110532540 186301514 /nfs/dbraw/zinc/30/15/14/186301514.db2.gz OWUCEVDWJNDJOL-GFCCVEGCSA-N 1 0 250.342 2.137 10 0 CEAERO COc1ccc([C@H](C[NH2+]C2CC2)O[C@@H]2CCOC2)cc1 ZINC000110529976 186301770 /nfs/dbraw/zinc/30/17/70/186301770.db2.gz KTSVGQSIXGPTEY-CVEARBPZSA-N 1 0 277.364 2.294 10 0 CEAERO CC(C)(C)[NH2+]Cc1cc(O[C@@H]2CCOC2)ccn1 ZINC000110532393 186301864 /nfs/dbraw/zinc/30/18/64/186301864.db2.gz DMFGPZMUPDHXDW-CYBMUJFWSA-N 1 0 250.342 2.137 10 0 CEAERO COc1cc([C@@H]([NH3+])[C@@H]2CCOC2)cc(Cl)c1OC ZINC000110533686 186302109 /nfs/dbraw/zinc/30/21/09/186302109.db2.gz PVTAYKMJKNTEPB-PELKAZGASA-N 1 0 271.744 2.394 10 0 CEAERO COc1cccc(N(C)Cc2ccc(C[NH3+])cc2)n1 ZINC000110541733 186302691 /nfs/dbraw/zinc/30/26/91/186302691.db2.gz RJRHZDFFYRLDMJ-UHFFFAOYSA-N 1 0 257.337 2.185 10 0 CEAERO CCOc1cc(N[C@H]2CCC[N@H+](C)C2)c(N)cc1F ZINC000110633313 186307250 /nfs/dbraw/zinc/30/72/50/186307250.db2.gz TZQVSSJSNLBXCV-JTQLQIEISA-N 1 0 267.348 2.313 10 0 CEAERO C[N@@H+]1CC[C@@H](Nc2cc(OC(F)F)c(F)cc2N)C1 ZINC000110638927 186307834 /nfs/dbraw/zinc/30/78/34/186307834.db2.gz JGIFHHQGXXFAIG-SSDOTTSWSA-N 1 0 275.274 2.125 10 0 CEAERO CCOC(=O)[C@@H](C[N@H+](C)CC1CCCC1)NC(C)C ZINC000110841129 186328023 /nfs/dbraw/zinc/32/80/23/186328023.db2.gz QJZKCRHIAIIHDG-CQSZACIVSA-N 1 0 270.417 2.038 10 0 CEAERO COC(=O)[C@](C)(CC[N@H+](C)CC1CCCC1)NC1CC1 ZINC000110840856 186328099 /nfs/dbraw/zinc/32/80/99/186328099.db2.gz RUNPYDWLDZNARH-INIZCTEOSA-N 1 0 282.428 2.182 10 0 CEAERO CC[NH2+][C@@H]1CCC2(C[C@@H]1N(C)CC1CCCC1)OCCO2 ZINC000110836481 186328887 /nfs/dbraw/zinc/32/88/87/186328887.db2.gz VVEBINKBJYHCRJ-CVEARBPZSA-N 1 0 296.455 2.382 10 0 CEAERO CCc1cc2c(ncnc2N(C)[C@H]2CCC[NH2+]C2)s1 ZINC000110933148 186333889 /nfs/dbraw/zinc/33/38/89/186333889.db2.gz POZLNRWDFDZALT-JTQLQIEISA-N 1 0 276.409 2.442 10 0 CEAERO CCCN(Cc1cc(C(=O)OC)c(C)o1)[C@H]1CCC[NH2+]C1 ZINC000110946141 186335398 /nfs/dbraw/zinc/33/53/98/186335398.db2.gz XKVXWRDXKCHHCK-ZDUSSCGKSA-N 1 0 294.395 2.339 10 0 CEAERO [NH3+]CCc1nc2ccccc2n1CCc1cccnc1 ZINC000110948989 186335436 /nfs/dbraw/zinc/33/54/36/186335436.db2.gz YXCFUQXPFHQALB-UHFFFAOYSA-N 1 0 266.348 2.175 10 0 CEAERO CCN(Cc1cn2cc(C)ccc2n1)[C@@H]1CCC[NH2+]C1 ZINC000110944095 186335441 /nfs/dbraw/zinc/33/54/41/186335441.db2.gz XCJSKFPVNFIDJA-OAHLLOKOSA-N 1 0 272.396 2.217 10 0 CEAERO CCN(CC(=O)N(C)C1CCC(C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000110944914 186335758 /nfs/dbraw/zinc/33/57/58/186335758.db2.gz JCKCZHOFWOAYKF-UYSNPLJNSA-N 1 0 295.471 2.097 10 0 CEAERO Cc1ccc([C@H](C)[NH3+])c(O[C@H](C)C(=O)NC(C)C)c1 ZINC000110957824 186336255 /nfs/dbraw/zinc/33/62/55/186336255.db2.gz NNHHSCHMESQKMP-NWDGAFQWSA-N 1 0 264.369 2.307 10 0 CEAERO Cc1ccc([C@H](C)[NH3+])c(O[C@H](C)C(=O)N2CCCC2)c1 ZINC000110957662 186336967 /nfs/dbraw/zinc/33/69/67/186336967.db2.gz SHGCRFYABLMFGU-QWHCGFSZSA-N 1 0 276.380 2.404 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccc(C)cc1O[C@@H](C)C(N)=O ZINC000110961923 186337486 /nfs/dbraw/zinc/33/74/86/186337486.db2.gz NDERSNXKVNPCDR-RYUDHWBXSA-N 1 0 264.369 2.308 10 0 CEAERO CC[C@H]1CN([C@@H](C[NH3+])c2ccc(C)c(F)c2)CCO1 ZINC000110977103 186338542 /nfs/dbraw/zinc/33/85/42/186338542.db2.gz JPAUEQAQKAPKTQ-ZFWWWQNUSA-N 1 0 266.360 2.245 10 0 CEAERO CCOc1ccc(N)cc1CN1CC[N@H+](CC)[C@@H](C)C1 ZINC000110702364 186313956 /nfs/dbraw/zinc/31/39/56/186313956.db2.gz CLHQOCVEQMJSDO-ZDUSSCGKSA-N 1 0 277.412 2.194 10 0 CEAERO CCn1cc(Cl)cc1C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000110792034 186324138 /nfs/dbraw/zinc/32/41/38/186324138.db2.gz ATASJWMGHRJIEO-NSHDSACASA-N 1 0 283.803 2.281 10 0 CEAERO O=C1CC[C@H]([NH2+][C@@H](c2cccs2)C2CC2)CN1 ZINC000111016184 186344565 /nfs/dbraw/zinc/34/45/65/186344565.db2.gz NBEGWOQRMUNMHB-GXFFZTMASA-N 1 0 250.367 2.067 10 0 CEAERO C[N@@H+]1CCC[C@@H]1CCOc1ccc(F)cc1C(N)=S ZINC000111034023 186346529 /nfs/dbraw/zinc/34/65/29/186346529.db2.gz LFPRGEUFPDMBJF-LLVKDONJSA-N 1 0 282.384 2.323 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccco1)N(C)C[C@@H]1CCCOC1 ZINC000111154441 186360621 /nfs/dbraw/zinc/36/06/21/186360621.db2.gz XTZUFTNOBKTMCP-GUTXKFCHSA-N 1 0 266.385 2.416 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccncc1)N(C)C[C@@H]1CCCOC1 ZINC000111154584 186360721 /nfs/dbraw/zinc/36/07/21/186360721.db2.gz DMTYUFRHPUSYLM-NUEKZKHPSA-N 1 0 277.412 2.218 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccncc1)N(C)C[C@@H]1CCCOC1 ZINC000111154590 186360849 /nfs/dbraw/zinc/36/08/49/186360849.db2.gz DMTYUFRHPUSYLM-IMJJTQAJSA-N 1 0 277.412 2.218 10 0 CEAERO CC[C@H]([NH3+])[C@H](N(C)C[C@@H]1CCCOC1)C(F)(F)F ZINC000111154862 186360965 /nfs/dbraw/zinc/36/09/65/186360965.db2.gz AOJAEEKTZNIOPO-DCAQKATOSA-N 1 0 268.323 2.013 10 0 CEAERO COc1cccc([C@@H](CN)[N@H+](C)CC2CCOCC2)c1 ZINC000111156617 186361515 /nfs/dbraw/zinc/36/15/15/186361515.db2.gz IYMRZGGGRMPWCT-MRXNPFEDSA-N 1 0 278.396 2.053 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@H](C)c2cccc(F)c2)C1 ZINC000147743070 539807211 /nfs/dbraw/zinc/80/72/11/539807211.db2.gz NEUKAHGFVYHHTN-DOMZBBRYSA-N 1 0 266.360 2.197 10 0 CEAERO CN(C[C@H]1CCCOC1)[C@@H](C[NH3+])c1ccc(F)cc1F ZINC000111158973 186361859 /nfs/dbraw/zinc/36/18/59/186361859.db2.gz GPMJAUITNNNAEP-ABAIWWIYSA-N 1 0 284.350 2.323 10 0 CEAERO Cc1ccc([C@@H](CN)[N@H+](C)CC2CCOCC2)cc1 ZINC000111156669 186362517 /nfs/dbraw/zinc/36/25/17/186362517.db2.gz PCGACCWMIFCUNR-MRXNPFEDSA-N 1 0 262.397 2.353 10 0 CEAERO c1ccc(-n2nnnc2C[NH2+]C[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000111087932 186351535 /nfs/dbraw/zinc/35/15/35/186351535.db2.gz REVRMLCFPVHUTE-MJBXVCDLSA-N 1 0 283.379 2.188 10 0 CEAERO O=C(NC[C@@H]1C[C@H]2CC[C@@H]1C2)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000111086094 186351684 /nfs/dbraw/zinc/35/16/84/186351684.db2.gz MINFVZOVTZXTMP-JSQNDZKTSA-N 1 0 284.403 2.253 10 0 CEAERO CCCOCCO[C@H](c1ccncc1)[C@H]([NH3+])CC ZINC000111105458 186352619 /nfs/dbraw/zinc/35/26/19/186352619.db2.gz NZBDDJOTFSILFV-ZIAGYGMSSA-N 1 0 252.358 2.303 10 0 CEAERO CCCOCCO[C@@H](c1ccncc1)[C@@H]([NH3+])CC ZINC000111105461 186352809 /nfs/dbraw/zinc/35/28/09/186352809.db2.gz NZBDDJOTFSILFV-KBPBESRZSA-N 1 0 252.358 2.303 10 0 CEAERO CCOCC[N@H+](CC)Cc1ccc(OC)c(N)c1 ZINC000111116787 186354121 /nfs/dbraw/zinc/35/41/21/186354121.db2.gz KXASDBMCGGLMCM-UHFFFAOYSA-N 1 0 252.358 2.136 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1ccncn1)c1ccccn1 ZINC000111113479 186354177 /nfs/dbraw/zinc/35/41/77/186354177.db2.gz NFUXPUFDOVJBHB-ZWNOBZJWSA-N 1 0 260.366 2.442 10 0 CEAERO CCOCCN(CC)[C@@H](C[NH3+])c1ccc(C)cc1 ZINC000111117043 186355118 /nfs/dbraw/zinc/35/51/18/186355118.db2.gz SXQJRQYDDBQCGR-HNNXBMFYSA-N 1 0 250.386 2.353 10 0 CEAERO CN(CCC[NH+](C)C)c1nc2ccc(N)cc2s1 ZINC000111132342 186356541 /nfs/dbraw/zinc/35/65/41/186356541.db2.gz IAQPYHZXAHURFV-UHFFFAOYSA-N 1 0 264.398 2.266 10 0 CEAERO CN(CC[NH+](C)C)C(=O)c1cc2ccccc2cc1N ZINC000111137355 186356978 /nfs/dbraw/zinc/35/69/78/186356978.db2.gz QQWFHBOGCZCXST-UHFFFAOYSA-N 1 0 271.364 2.056 10 0 CEAERO CC(C)c1ccc(C(=O)CN(C)CC[NH+](C)C)cc1 ZINC000111139613 186357085 /nfs/dbraw/zinc/35/70/85/186357085.db2.gz FGQLKPMJPJGSLW-UHFFFAOYSA-N 1 0 262.397 2.486 10 0 CEAERO COc1ccc(C(=O)CN(C)CCC[NH+](C)C)cc1Cl ZINC000111140154 186357652 /nfs/dbraw/zinc/35/76/52/186357652.db2.gz OUZOLRHXINBXEZ-UHFFFAOYSA-N 1 0 298.814 2.415 10 0 CEAERO CC[C@H]1CCC(=O)[C@H](C[N@H+](C)CCCN(C)C)C1 ZINC000111146567 186358201 /nfs/dbraw/zinc/35/82/01/186358201.db2.gz VUCKBUPKDDXVLT-KBPBESRZSA-N 1 0 254.418 2.265 10 0 CEAERO CN(CC[NH+](C)C)C[C@@H](O)c1ccc2ccccc2c1 ZINC000111143352 186358979 /nfs/dbraw/zinc/35/89/79/186358979.db2.gz UYEJRUJKFCCVGS-QGZVFWFLSA-N 1 0 272.392 2.367 10 0 CEAERO COc1ccc([C@H](C)O)cc1CN(C)CCC[NH+](C)C ZINC000111143767 186359060 /nfs/dbraw/zinc/35/90/60/186359060.db2.gz YYJZTZACWRQWBN-ZDUSSCGKSA-N 1 0 280.412 2.132 10 0 CEAERO CCN(C(=O)[C@H]1CCOc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000111186342 186367750 /nfs/dbraw/zinc/36/77/50/186367750.db2.gz AFXAPFTYTPYYTC-ZFWWWQNUSA-N 1 0 288.391 2.153 10 0 CEAERO COc1ccc([C@@H](N)[C@@H](C)[N@H+](C)CC2CCOCC2)cc1 ZINC000111161928 186364229 /nfs/dbraw/zinc/36/42/29/186364229.db2.gz DOBSNUSUWZFLEX-DYVFJYSZSA-N 1 0 292.423 2.442 10 0 CEAERO COc1ccc([C@@H](N)C[N@H+](C)CC2CCOCC2)cc1 ZINC000111161937 186364381 /nfs/dbraw/zinc/36/43/81/186364381.db2.gz MMYYNMZKDQFXDC-INIZCTEOSA-N 1 0 278.396 2.053 10 0 CEAERO C[C@H]([NH2+]CCSc1nnc(N(C)C)s1)C1CC1 ZINC000111317243 186396358 /nfs/dbraw/zinc/39/63/58/186396358.db2.gz JVSRVCXJFNEQHG-QMMMGPOBSA-N 1 0 272.443 2.084 10 0 CEAERO OCCN1CCC[N@H+](Cc2csc3ccccc23)CC1 ZINC000111314392 186396389 /nfs/dbraw/zinc/39/63/89/186396389.db2.gz DWGXHMJBEJHQAQ-UHFFFAOYSA-N 1 0 290.432 2.401 10 0 CEAERO C[N@H+](CC1CCCCC1)[C@H](CN)[C@@H]1CCCOC1 ZINC000111320923 186397545 /nfs/dbraw/zinc/39/75/45/186397545.db2.gz QQOYCRHNYXHYLO-HUUCEWRRSA-N 1 0 254.418 2.252 10 0 CEAERO CCCN(CC(F)(F)F)C[C@]1(C[NH3+])CCCOC1 ZINC000111326291 186399107 /nfs/dbraw/zinc/39/91/07/186399107.db2.gz BLVAGLYDGHXQPS-LLVKDONJSA-N 1 0 268.323 2.016 10 0 CEAERO CCCC[C@@H](C)NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111246858 186375739 /nfs/dbraw/zinc/37/57/39/186375739.db2.gz QCEBDDVKWWBGIX-KOLCDFICSA-N 1 0 266.307 2.223 10 0 CEAERO CCCN(C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)C(C)C ZINC000111243569 186376520 /nfs/dbraw/zinc/37/65/20/186376520.db2.gz WIJKQIIZQGVEQI-LLVKDONJSA-N 1 0 266.307 2.175 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc2ncccc21 ZINC000111263005 186380452 /nfs/dbraw/zinc/38/04/52/186380452.db2.gz SSWYEZXSTRQOMM-JQWIXIFHSA-N 1 0 255.321 2.029 10 0 CEAERO Cc1cc(NC(=O)[C@@H]2C[NH2+]C[C@@H]2C)c2ccccc2n1 ZINC000111262970 186380644 /nfs/dbraw/zinc/38/06/44/186380644.db2.gz VARSBYYXRSQVMN-GXFFZTMASA-N 1 0 269.348 2.337 10 0 CEAERO CCOc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@@H]2C)cc1OCC ZINC000111263126 186380821 /nfs/dbraw/zinc/38/08/21/186380821.db2.gz ZUYAZDZQBRXKCB-WCQYABFASA-N 1 0 292.379 2.278 10 0 CEAERO CC(C)N(Cc1ccccc1)C(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000111263228 186380823 /nfs/dbraw/zinc/38/08/23/186380823.db2.gz RRYPLWMTWCTJPA-HIFRSBDPSA-N 1 0 260.381 2.279 10 0 CEAERO CC(=O)Nc1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2C)cc1Cl ZINC000111265448 186381670 /nfs/dbraw/zinc/38/16/70/186381670.db2.gz IUJPYAGWUZZRLP-KWQFWETISA-N 1 0 295.770 2.092 10 0 CEAERO CCCOc1ccccc1NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000111265059 186381694 /nfs/dbraw/zinc/38/16/94/186381694.db2.gz SUDCJFQHACPKTI-VXGBXAGGSA-N 1 0 262.353 2.269 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N(Cc1ccccc1F)C1CC1 ZINC000111268234 186382787 /nfs/dbraw/zinc/38/27/87/186382787.db2.gz FLXSRRAWRSWOHJ-RISCZKNCSA-N 1 0 276.355 2.172 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N(Cc1ccc(F)cc1F)C1CC1 ZINC000111268696 186383985 /nfs/dbraw/zinc/38/39/85/186383985.db2.gz BZERBZRBJIJUNJ-YGRLFVJLSA-N 1 0 294.345 2.311 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000111271860 186384123 /nfs/dbraw/zinc/38/41/23/186384123.db2.gz JUGKSQNZKQLONA-DTWKUNHWSA-N 1 0 267.398 2.235 10 0 CEAERO CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000111269284 186384257 /nfs/dbraw/zinc/38/42/57/186384257.db2.gz SIWRBUZKJJUTEQ-JQWIXIFHSA-N 1 0 282.334 2.169 10 0 CEAERO C[C@@H](c1cccs1)N(C)C(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000111269596 186384459 /nfs/dbraw/zinc/38/44/59/186384459.db2.gz FDTIRXRIKXSGJS-DCAQKATOSA-N 1 0 252.383 2.123 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(Cc1ccco1)C1CCCC1 ZINC000111268771 186384593 /nfs/dbraw/zinc/38/45/93/186384593.db2.gz HSHVTXMDVAICQU-IUODEOHRSA-N 1 0 276.380 2.406 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@@H]1C1CCCC1 ZINC000111272116 186384834 /nfs/dbraw/zinc/38/48/34/186384834.db2.gz BUQIVEAVCKVLCJ-IACUBPJLSA-N 1 0 250.386 2.023 10 0 CEAERO Cc1cc(F)ccc1NC(=O)c1ccc(C[NH3+])cn1 ZINC000111281136 186388936 /nfs/dbraw/zinc/38/89/36/186388936.db2.gz XMICBHVDGQNCRI-UHFFFAOYSA-N 1 0 259.284 2.240 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc4cc[nH]c4c3)C[C@@H]2C1 ZINC000111288879 186390926 /nfs/dbraw/zinc/39/09/26/186390926.db2.gz BIWIPCPNPIYFAP-QLFBSQMISA-N 1 0 283.375 2.367 10 0 CEAERO C[NH+](C)[C@H]1CCN(c2ccc(N)cc2C(F)F)C1 ZINC000111292129 186391017 /nfs/dbraw/zinc/39/10/17/186391017.db2.gz SSCQHJZWYWTAKX-JTQLQIEISA-N 1 0 255.312 2.347 10 0 CEAERO Cc1c(Cl)ncnc1N[C@@H](C[NH+](C)C)C(C)C ZINC000111297616 186392752 /nfs/dbraw/zinc/39/27/52/186392752.db2.gz QQJUYDMJYHDEJY-JTQLQIEISA-N 1 0 256.781 2.437 10 0 CEAERO CCN(Cc1cccs1)c1c(CC[NH3+])c(C)nn1C ZINC000111485185 186422649 /nfs/dbraw/zinc/42/26/49/186422649.db2.gz NMFFYUDLQNAWEY-UHFFFAOYSA-N 1 0 278.425 2.318 10 0 CEAERO CCN(CCOC)c1ccc(C[C@H](C)[NH3+])cc1F ZINC000111505795 186424797 /nfs/dbraw/zinc/42/47/97/186424797.db2.gz IEQAUEZLIUTHPM-NSHDSACASA-N 1 0 254.349 2.188 10 0 CEAERO C[C@H]([NH3+])Cc1c(N2CCCSCC2)nc2ccccn21 ZINC000111511194 186425903 /nfs/dbraw/zinc/42/59/03/186425903.db2.gz FLIXZOLMZFSOIL-LBPRGKRZSA-N 1 0 290.436 2.167 10 0 CEAERO Cc1ncn(-c2c(F)cc(CC[NH3+])cc2F)c1C ZINC000111513283 186426056 /nfs/dbraw/zinc/42/60/56/186426056.db2.gz DYFLIMSLOPXOPT-UHFFFAOYSA-N 1 0 251.280 2.269 10 0 CEAERO [NH3+]CCc1ccc(Sc2nnnn2-c2ccccc2)cc1 ZINC000111582466 186430265 /nfs/dbraw/zinc/43/02/65/186430265.db2.gz MAZCKOFARSPZFQ-UHFFFAOYSA-N 1 0 297.387 2.315 10 0 CEAERO CC[NH2+]C[C@H]1CCCN(CC(=O)Nc2ccccc2C)C1 ZINC000111698478 186445874 /nfs/dbraw/zinc/44/58/74/186445874.db2.gz QIEOQIFOSHBADR-OAHLLOKOSA-N 1 0 289.423 2.255 10 0 CEAERO Cc1cc(CN2CCCC[C@@H]2C[NH2+]C(C)C)on1 ZINC000111702669 186448242 /nfs/dbraw/zinc/44/82/42/186448242.db2.gz GBLUSGPZUJYFKL-CYBMUJFWSA-N 1 0 251.374 2.336 10 0 CEAERO C[C@@H]1C[C@@H]1CN(C)C(=O)C1(C[NH3+])CCCCCC1 ZINC000111733348 186451531 /nfs/dbraw/zinc/45/15/31/186451531.db2.gz GKUBUTNBNBTGDC-CHWSQXEVSA-N 1 0 252.402 2.400 10 0 CEAERO CCCN(c1ncc(Br)cn1)[C@@H]1CCC[NH2+]C1 ZINC000111751195 186452700 /nfs/dbraw/zinc/45/27/00/186452700.db2.gz PYHBFSPJEYENBP-LLVKDONJSA-N 1 0 299.216 2.208 10 0 CEAERO C[C@@H]1C[C@H]1C[N@H+](C)CCC(=O)Nc1ccc(F)cc1N ZINC000111765753 186455053 /nfs/dbraw/zinc/45/50/53/186455053.db2.gz MOWUAPUWQLRKKY-MNOVXSKESA-N 1 0 279.359 2.324 10 0 CEAERO CC1CCC(C[NH3+])(NC(=O)Cc2cccc(F)c2)CC1 ZINC000111370484 186408898 /nfs/dbraw/zinc/40/88/98/186408898.db2.gz FBGGTJWWHKKZIM-UHFFFAOYSA-N 1 0 278.371 2.392 10 0 CEAERO C[C@@H](NC(=O)N1CCC[C@H]([NH+](C)C)C1)C(C)(C)C ZINC000112461181 186499551 /nfs/dbraw/zinc/49/95/51/186499551.db2.gz KRKZDEJRGHSEJP-NEPJUHHUSA-N 1 0 255.406 2.157 10 0 CEAERO FC(F)(F)c1cc(CN[C@H]2CC[NH2+]C2)cs1 ZINC000629548125 351407115 /nfs/dbraw/zinc/40/71/15/351407115.db2.gz CYCONBVVPPJPBG-QMMMGPOBSA-N 1 0 250.289 2.218 10 0 CEAERO COCc1cc(NC[C@H]2CCC[NH2+]C2)nc(C(C)C)n1 ZINC000070456376 363084615 /nfs/dbraw/zinc/08/46/15/363084615.db2.gz COMBWMVUEVLNGG-LBPRGKRZSA-N 1 0 278.400 2.158 10 0 CEAERO CO[C@H]1CN(CCOc2cccc(Cl)c2)[C@](C)(C[NH3+])C1 ZINC000630359308 351710800 /nfs/dbraw/zinc/71/08/00/351710800.db2.gz FNEKESSXOFEYIZ-CABCVRRESA-N 1 0 298.814 2.157 10 0 CEAERO CO[C@@H]1CN(Cc2nc(C(C)(C)C)cs2)[C@@](C)(C[NH3+])C1 ZINC000630369007 351714091 /nfs/dbraw/zinc/71/40/91/351714091.db2.gz VKYJSQBKCANRMX-XHDPSFHLSA-N 1 0 297.468 2.379 10 0 CEAERO CO[C@@H]1CN(C(=O)c2ccc(C)cc2Cl)[C@](C)(C[NH3+])C1 ZINC000630374863 351715188 /nfs/dbraw/zinc/71/51/88/351715188.db2.gz PFNINOMHWFBCNB-NHYWBVRUSA-N 1 0 296.798 2.227 10 0 CEAERO CO[C@H]1CN(C(=O)c2ccc(C)cc2Cl)[C@](C)(C[NH3+])C1 ZINC000630374861 351715771 /nfs/dbraw/zinc/71/57/71/351715771.db2.gz PFNINOMHWFBCNB-ABAIWWIYSA-N 1 0 296.798 2.227 10 0 CEAERO C[C@]12C[NH2+]C[C@@]1(C)CN(c1ccncc1Cl)C2 ZINC000630537819 351777363 /nfs/dbraw/zinc/77/73/63/351777363.db2.gz FJTJTJQHENBWFD-BETUJISGSA-N 1 0 251.761 2.171 10 0 CEAERO [NH3+][C@@H]1CCCCCN(c2nc(C(F)(F)F)ns2)C1 ZINC000630548882 351780683 /nfs/dbraw/zinc/78/06/83/351780683.db2.gz JXANTDWUAVGMPG-SSDOTTSWSA-N 1 0 280.319 2.265 10 0 CEAERO CC(C)c1nsc(N2CCCCC[C@H]([NH3+])C2)n1 ZINC000630550297 351781229 /nfs/dbraw/zinc/78/12/29/351781229.db2.gz SWALSYQVRYISBR-JTQLQIEISA-N 1 0 254.403 2.369 10 0 CEAERO CCc1cc(CC)nc(N2CCCCC[C@@H]([NH3+])C2)n1 ZINC000630550260 351781307 /nfs/dbraw/zinc/78/13/07/351781307.db2.gz SPFLUANBFRTREV-GFCCVEGCSA-N 1 0 262.401 2.309 10 0 CEAERO [NH3+][C@@H]1CCCCCN(c2nnc(C(F)F)s2)C1 ZINC000630550583 351781447 /nfs/dbraw/zinc/78/14/47/351781447.db2.gz VAXHNUUTSWIUDK-SSDOTTSWSA-N 1 0 262.329 2.183 10 0 CEAERO CCOc1ccc(-c2cc(N3CC[C@H]([NH3+])C3)n[nH]2)cc1 ZINC000070460189 363088579 /nfs/dbraw/zinc/08/85/79/363088579.db2.gz AMXKXDUMKOLQTO-LBPRGKRZSA-N 1 0 272.352 2.013 10 0 CEAERO CN(CC[N@@H+]1CCC[C@H](Cn2cncn2)C1)c1ccccc1 ZINC000131595202 366068079 /nfs/dbraw/zinc/06/80/79/366068079.db2.gz SPQOXZCJPDXMQU-INIZCTEOSA-N 1 0 299.422 2.127 10 0 CEAERO Cc1ccc(C)c(-c2cc(N3CC[C@@H]([NH3+])C3)n[nH]2)c1 ZINC000070460227 363088852 /nfs/dbraw/zinc/08/88/52/363088852.db2.gz NYTLNPRIGOFNBV-GFCCVEGCSA-N 1 0 256.353 2.231 10 0 CEAERO Cc1csc2c1ncnc2N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000630566642 351787605 /nfs/dbraw/zinc/78/76/05/351787605.db2.gz DTQNGGQGAUWETK-WPRPVWTQSA-N 1 0 262.382 2.031 10 0 CEAERO CCCCCCNS(=O)(=O)c1ccccc1C[NH3+] ZINC000070468336 363089791 /nfs/dbraw/zinc/08/97/91/363089791.db2.gz LGGDMGRXQIMPKO-UHFFFAOYSA-N 1 0 270.398 2.004 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)N[C@@H](C)c1cnccn1 ZINC000070479115 363089809 /nfs/dbraw/zinc/08/98/09/363089809.db2.gz KBEXYRAMVRXYTL-QWHCGFSZSA-N 1 0 250.390 2.104 10 0 CEAERO CCc1nsc(N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)n1 ZINC000630526985 351773137 /nfs/dbraw/zinc/77/31/37/351773137.db2.gz PCHKMJQLKKCLKF-JGVFFNPUSA-N 1 0 294.346 2.064 10 0 CEAERO C[C@H](NC(=O)C1(C[NH3+])CCCC1)c1cccs1 ZINC000122936334 187060784 /nfs/dbraw/zinc/06/07/84/187060784.db2.gz QZZJQPSCBAOXPD-JTQLQIEISA-N 1 0 252.383 2.444 10 0 CEAERO [NH3+][C@H]1CCC[C@@H](C(=O)N2CCCc3ccccc32)C1 ZINC000070573869 363096798 /nfs/dbraw/zinc/09/67/98/363096798.db2.gz FLGPVKFDXOBKGJ-KGLIPLIRSA-N 1 0 258.365 2.483 10 0 CEAERO C[C@@H]1[NH2+]CC[C@H]1C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000092953008 539830842 /nfs/dbraw/zinc/83/08/42/539830842.db2.gz DOYSXBUSBHVUSJ-IDWGSYCQSA-N 1 0 278.318 2.222 10 0 CEAERO O[C@H](C[C@H]1CCC[N@@H+]1Cc1ncc[nH]1)c1ccccc1 ZINC000072867150 363173015 /nfs/dbraw/zinc/17/30/15/363173015.db2.gz TXXZPIWLXUPJAF-HUUCEWRRSA-N 1 0 271.364 2.498 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H]2CCCCC[C@H]2C)C1 ZINC000252644877 539884245 /nfs/dbraw/zinc/88/42/45/539884245.db2.gz PLJFZNAXPVELAI-RBSFLKMASA-N 1 0 254.418 2.266 10 0 CEAERO [NH3+]C1(CC(=O)N[C@H]2CCCc3ccccc32)CCC1 ZINC000094293634 539874292 /nfs/dbraw/zinc/87/42/92/539874292.db2.gz FKZZGBSHVAWZRD-AWEZNQCLSA-N 1 0 258.365 2.452 10 0 CEAERO C[C@@H](NC(=O)CC1([NH3+])CCC1)c1ccc(F)c(F)c1 ZINC000094293795 539874416 /nfs/dbraw/zinc/87/44/16/539874416.db2.gz VMRMWHXKTKJLMI-SECBINFHSA-N 1 0 268.307 2.414 10 0 CEAERO COc1ccccc1N(C)C(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000094648018 539883687 /nfs/dbraw/zinc/88/36/87/539883687.db2.gz AUGPUIWUJLZDPI-NEPJUHHUSA-N 1 0 262.353 2.046 10 0 CEAERO CCC[NH2+][C@@H]1CCN(C[C@@H](C)C(N)=O)c2ccccc21 ZINC000071378357 535187826 /nfs/dbraw/zinc/18/78/26/535187826.db2.gz HIJSDKBZAOKCQF-TZMCWYRMSA-N 1 0 275.396 2.059 10 0 CEAERO CCCCOCC[NH2+][C@H]1C[C@@H](OCC)C12CCOCC2 ZINC000186295188 282841772 /nfs/dbraw/zinc/84/17/72/282841772.db2.gz JNXCNBNCNWSJAR-LSDHHAIUSA-N 1 0 285.428 2.367 10 0 CEAERO Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000151598599 539954343 /nfs/dbraw/zinc/95/43/43/539954343.db2.gz NQSRDWJRIKNPRV-CWRNSKLLSA-N 1 0 272.392 2.261 10 0 CEAERO CC(C)c1ccc([C@H](C)NC(=O)COC2(C)C[NH2+]C2)cc1 ZINC000098060468 539960843 /nfs/dbraw/zinc/96/08/43/539960843.db2.gz NUUXGVLBMYFZQT-ZDUSSCGKSA-N 1 0 290.407 2.366 10 0 CEAERO C[C@H](NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1F ZINC000151271191 187955862 /nfs/dbraw/zinc/95/58/62/187955862.db2.gz QHZYRIFLHWIVDE-GXTWGEPZSA-N 1 0 298.377 2.462 10 0 CEAERO O=C(Nc1cccc2c1CC[NH2+]C2)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250224343 539964811 /nfs/dbraw/zinc/96/48/11/539964811.db2.gz VLDQYUYUWWMSQL-CLLJXQQHSA-N 1 0 256.349 2.317 10 0 CEAERO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2CO)cc1F ZINC000152298260 188008299 /nfs/dbraw/zinc/00/82/99/188008299.db2.gz BUYVHOIIGGPLQC-TZMCWYRMSA-N 1 0 267.344 2.475 10 0 CEAERO CC[C@H]1CN(c2ccc(Br)cn2)CC[C@H]1[NH3+] ZINC000251543591 539976898 /nfs/dbraw/zinc/97/68/98/539976898.db2.gz AVKGSQOJHLKTGM-GXSJLCMTSA-N 1 0 284.201 2.408 10 0 CEAERO COCc1cccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000155535724 188213299 /nfs/dbraw/zinc/21/32/99/188213299.db2.gz LQGYTQUYDTVRTM-CJNGLKHVSA-N 1 0 290.407 2.292 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc(F)ccc2F)C1 ZINC000155625681 188217611 /nfs/dbraw/zinc/21/76/11/188217611.db2.gz KXASRPQXCMUJOC-YGRLFVJLSA-N 1 0 282.334 2.423 10 0 CEAERO Cc1ccccc1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000155411078 188204998 /nfs/dbraw/zinc/20/49/98/188204998.db2.gz PZWHJVMADMJQIR-DZGCQCFKSA-N 1 0 260.381 2.454 10 0 CEAERO C[N@H+](C[C@H](c1cccs1)N1CCOCC1)CC1CC1 ZINC000156208395 188249254 /nfs/dbraw/zinc/24/92/54/188249254.db2.gz FKHMSWATTQJRFD-CQSZACIVSA-N 1 0 280.437 2.463 10 0 CEAERO Cc1ccc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000155699908 188222636 /nfs/dbraw/zinc/22/26/36/188222636.db2.gz IGZDGBRAVDFLHL-DZGCQCFKSA-N 1 0 260.381 2.454 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)CCOc2ccccc2)[C@@H](C)C1 ZINC000155802770 188227911 /nfs/dbraw/zinc/22/79/11/188227911.db2.gz UUWRKBCJOHOBII-HOCLYGCPSA-N 1 0 290.407 2.300 10 0 CEAERO CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@@H](C)[NH3+])o1 ZINC000157379036 188314005 /nfs/dbraw/zinc/31/40/05/188314005.db2.gz IJPCTNSJFYWJCN-WZRBSPASSA-N 1 0 264.369 2.489 10 0 CEAERO CC[NH+]1CCC(CCNC(=O)N[C@@H](C)C(C)C)CC1 ZINC000073441056 363219358 /nfs/dbraw/zinc/21/93/58/363219358.db2.gz CLYLLUGSRQJUIN-ZDUSSCGKSA-N 1 0 269.433 2.452 10 0 CEAERO C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]2C[NH3+])[C@H](C)C1 ZINC000252218099 540002590 /nfs/dbraw/zinc/00/25/90/540002590.db2.gz ZREZKUZAFRVKDM-RGDJUOJXSA-N 1 0 252.402 2.302 10 0 CEAERO Cn1cc([C@@H]2CCCN2Cc2cccc3c2OCO3)cn1 ZINC000131854179 366092307 /nfs/dbraw/zinc/09/23/07/366092307.db2.gz BFQVWRJDRKGVLY-AWEZNQCLSA-N 1 0 285.347 2.486 10 0 CEAERO CC1(CNc2nnc(C(F)(F)F)s2)CC[NH2+]CC1 ZINC000160395229 188469821 /nfs/dbraw/zinc/46/98/21/188469821.db2.gz PSSCAYRXDMXIOG-UHFFFAOYSA-N 1 0 280.319 2.359 10 0 CEAERO c1csc([C@@H]2CN(CC[NH+]3CCCCC3)CCO2)n1 ZINC000132345995 366136923 /nfs/dbraw/zinc/13/69/23/366136923.db2.gz ADPFHKOSJJFJPH-ZDUSSCGKSA-N 1 0 281.425 2.002 10 0 CEAERO C[C@H]1CN(Cc2cccc(Br)n2)C[C@@H]1[NH+](C)C ZINC000293367456 198614322 /nfs/dbraw/zinc/61/43/22/198614322.db2.gz YVEHRQNGEWDAME-JQWIXIFHSA-N 1 0 298.228 2.226 10 0 CEAERO C[C@H]1CC[C@H](C(=O)Nc2ccc(OCC[NH+](C)C)cc2)O1 ZINC000132980930 366186201 /nfs/dbraw/zinc/18/62/01/366186201.db2.gz IEHWMPSMKRTQAB-SWLSCSKDSA-N 1 0 292.379 2.133 10 0 CEAERO Cc1nnc([C@@H]2C[N@H+](C[C@@H]3CCC[C@H](C)C3)CCO2)[nH]1 ZINC000133414303 366222790 /nfs/dbraw/zinc/22/27/90/366222790.db2.gz KITRSJNMRBBKOR-YUTCNCBUSA-N 1 0 278.400 2.313 10 0 CEAERO C[C@@H](CN(C)Cc1ccccc1)[NH2+]Cc1ccc(CO)o1 ZINC000271765069 191313829 /nfs/dbraw/zinc/31/38/29/191313829.db2.gz ADXYFIULYCFLQL-AWEZNQCLSA-N 1 0 288.391 2.382 10 0 CEAERO CC(C)[C@H](C)C(=O)NC[C@@H]1[NH2+]CCOc2ccccc21 ZINC000675057867 540078049 /nfs/dbraw/zinc/07/80/49/540078049.db2.gz MDMJFVKVRQHOFY-JSGCOSHPSA-N 1 0 276.380 2.118 10 0 CEAERO C[C@H](C(=O)NC[C@@H]1C[C@@H]2C[C@H]([NH3+])[C@@H]2C1)C(C)(C)C ZINC000675071200 540113372 /nfs/dbraw/zinc/11/33/72/540113372.db2.gz XLOBDVAEOHDIEN-VEGXAWMVSA-N 1 0 252.402 2.158 10 0 CEAERO CN1C[C@H]([NH2+]Cc2cc(F)cc(F)c2)C(C)(C)C1 ZINC000675076079 540117403 /nfs/dbraw/zinc/11/74/03/540117403.db2.gz TZASLWNVZKGJCE-ZDUSSCGKSA-N 1 0 254.324 2.395 10 0 CEAERO Cc1ccc(CN2CC[C@H]3OCC[NH2+][C@@H]3C2)c(Cl)c1 ZINC000404257783 540120640 /nfs/dbraw/zinc/12/06/40/540120640.db2.gz MWDHAVLJILMFKT-HUUCEWRRSA-N 1 0 280.799 2.211 10 0 CEAERO CCc1ccc([C@H]2CCCCN2C(=O)C[NH+](C)C)o1 ZINC000173750412 188866675 /nfs/dbraw/zinc/86/66/75/188866675.db2.gz SOKBRMNSYYXMFC-CYBMUJFWSA-N 1 0 264.369 2.457 10 0 CEAERO Cc1ccc([C@H](C)NC[C@H](O)C[N@@H+](C)C(C)C)cc1F ZINC000380681590 540135170 /nfs/dbraw/zinc/13/51/70/540135170.db2.gz KAFRZEZHGPNYLM-ZFWWWQNUSA-N 1 0 282.403 2.486 10 0 CEAERO CC(C)CC1(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261862284 540154801 /nfs/dbraw/zinc/15/48/01/540154801.db2.gz WYJBAVQVGFQPRI-CHWSQXEVSA-N 1 0 252.402 2.304 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@H](C)CCCC(F)(F)F)C1 ZINC000253149525 540222726 /nfs/dbraw/zinc/22/27/26/540222726.db2.gz CQQLFBACCGHGLV-NEPJUHHUSA-N 1 0 282.350 2.418 10 0 CEAERO CCC[C@H]([NH3+])C(=O)Nc1cc(C)nn1-c1ccc(F)cc1 ZINC000133901582 366265907 /nfs/dbraw/zinc/26/59/07/366265907.db2.gz GBFBLMHFVCHORM-ZDUSSCGKSA-N 1 0 290.342 2.386 10 0 CEAERO [NH3+]CC1(c2ccc(I)cn2)CCC1 ZINC000575558956 366295977 /nfs/dbraw/zinc/29/59/77/366295977.db2.gz FGJLFQMMHZOFDU-UHFFFAOYSA-N 1 0 288.132 2.067 10 0 CEAERO C[C@H]1C[C@H]1NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 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IBNUDDLULKJOIK-ZWNOBZJWSA-N 1 0 281.400 2.241 10 0 CEAERO CCOCC[N@@H+]1CCN(Cc2ccsc2)C[C@@H]1C ZINC000120902925 365491885 /nfs/dbraw/zinc/49/18/85/365491885.db2.gz ACLIQJYJZGBBIB-ZDUSSCGKSA-N 1 0 268.426 2.291 10 0 CEAERO CCOCC[N@@H+]1CCN(Cc2ccc(OC)cc2)C[C@@H]1C ZINC000120895537 365492168 /nfs/dbraw/zinc/49/21/68/365492168.db2.gz IRULDXDMSRBYAZ-HNNXBMFYSA-N 1 0 292.423 2.238 10 0 CEAERO C[C@@H]([NH2+]CCOC1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000583137952 367006519 /nfs/dbraw/zinc/00/65/19/367006519.db2.gz WEJFFUSDOWMPIF-ZIAGYGMSSA-N 1 0 254.418 2.313 10 0 CEAERO NC(=O)c1ccc([C@H]2CCC[C@@H]([NH3+])C2)c2cc[nH]c21 ZINC000584619597 367173946 /nfs/dbraw/zinc/17/39/46/367173946.db2.gz UWIVHIOLGCHJPP-VHSXEESVSA-N 1 0 257.337 2.252 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC1(C)CCC1 ZINC000162665827 367178299 /nfs/dbraw/zinc/17/82/99/367178299.db2.gz HQAIQRKDXOMTIY-CYBMUJFWSA-N 1 0 267.417 2.349 10 0 CEAERO C[C@@H]1CN(C(=O)CCSc2ccccc2F)C[C@H]1C[NH3+] ZINC000638885623 370819284 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Cc1cc(C(=O)N2CC[C@H]([NH+](C)C)C2)sc1C ZINC000170855883 367431943 /nfs/dbraw/zinc/43/19/43/367431943.db2.gz BSYPXUSFPKMRQA-NSHDSACASA-N 1 0 252.383 2.141 10 0 CEAERO CC[C@@H](C(=O)N1CC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000170856162 367432759 /nfs/dbraw/zinc/43/27/59/367432759.db2.gz MMDSLOJQNARJEV-LSDHHAIUSA-N 1 0 260.381 2.343 10 0 CEAERO CC(C)c1nc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cs1 ZINC000170868301 367436355 /nfs/dbraw/zinc/43/63/55/367436355.db2.gz UCVCGVJNKXQXPJ-SNVBAGLBSA-N 1 0 267.398 2.043 10 0 CEAERO C[C@H]1CN(C(=O)NC2CC[NH+](CC3CC3)CC2)CCS1 ZINC000171737226 367606144 /nfs/dbraw/zinc/60/61/44/367606144.db2.gz ITUXNERSRFKRCY-LBPRGKRZSA-N 1 0 297.468 2.008 10 0 CEAERO COc1cccc(C[NH+]2CCC(Cn3cccn3)CC2)n1 ZINC000171828937 367624539 /nfs/dbraw/zinc/62/45/39/367624539.db2.gz YLWWEDZUBGLPAV-UHFFFAOYSA-N 1 0 286.379 2.199 10 0 CEAERO Cc1cnn([C@H]2CCC[N@H+](CCc3cccnc3)C2)c1 ZINC000172163326 367687960 /nfs/dbraw/zinc/68/79/60/367687960.db2.gz IPLAUEQZVAJSBX-INIZCTEOSA-N 1 0 270.380 2.466 10 0 CEAERO O=C(c1coc(-c2ccccc2)n1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172349739 367723103 /nfs/dbraw/zinc/72/31/03/367723103.db2.gz XFRFHLXZNVRSJT-CQSZACIVSA-N 1 0 297.358 2.262 10 0 CEAERO CCc1nccn1[C@H]1CCCN(C(=O)NCC2CC2)C1 ZINC000172440900 367744917 /nfs/dbraw/zinc/74/49/17/367744917.db2.gz VVTKWFZKWSPFCR-ZDUSSCGKSA-N 1 0 276.384 2.202 10 0 CEAERO CC[C@H](CSC)NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000245893599 370884945 /nfs/dbraw/zinc/88/49/45/370884945.db2.gz QMJDUDLKVNHKBB-HZSPNIEDSA-N 1 0 299.484 2.396 10 0 CEAERO Cc1nc(C)c(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)s1 ZINC000172799295 367821972 /nfs/dbraw/zinc/82/19/72/367821972.db2.gz IXYMWGBFBYOUFD-ZDUSSCGKSA-N 1 0 291.424 2.264 10 0 CEAERO Cc1ccc2cccc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)c2n1 ZINC000172843543 367827303 /nfs/dbraw/zinc/82/73/03/367827303.db2.gz CEGDUVYQZPFLCF-OAHLLOKOSA-N 1 0 295.386 2.463 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccccn1 ZINC000173332142 367897907 /nfs/dbraw/zinc/89/79/07/367897907.db2.gz LFZPVQGXFCRZGC-QWHCGFSZSA-N 1 0 274.368 2.172 10 0 CEAERO Cc1nc(-c2ccccc2)oc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000174584751 368043705 /nfs/dbraw/zinc/04/37/05/368043705.db2.gz GMPLUALZOIXUNJ-AWEZNQCLSA-N 1 0 299.374 2.426 10 0 CEAERO Cc1nc(-c2ccccc2)oc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000174584763 368043970 /nfs/dbraw/zinc/04/39/70/368043970.db2.gz GMPLUALZOIXUNJ-CQSZACIVSA-N 1 0 299.374 2.426 10 0 CEAERO CC[NH+](CC)CC(=O)N[C@@H](C)COCc1ccccc1 ZINC000174588011 368045216 /nfs/dbraw/zinc/04/52/16/368045216.db2.gz DZDFHKLVYIZRRG-AWEZNQCLSA-N 1 0 278.396 2.050 10 0 CEAERO C[C@H](CCOc1ccccc1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000174288855 368006594 /nfs/dbraw/zinc/00/65/94/368006594.db2.gz PDNALGPPNMPMEL-CABCVRRESA-N 1 0 290.407 2.254 10 0 CEAERO C[C@H](CC[NH2+]Cc1ccc(CO)o1)NC(=O)OC(C)(C)C ZINC000174355638 368014703 /nfs/dbraw/zinc/01/47/03/368014703.db2.gz XMMVGEIPFVEAKR-LLVKDONJSA-N 1 0 298.383 2.165 10 0 CEAERO CC[N@@H+]1CC[C@@H](N(C)Cc2nnc(C(C)C)n2C)[C@H](C)C1 ZINC000175732576 368170987 /nfs/dbraw/zinc/17/09/87/368170987.db2.gz MWFSODWSUPIODK-ZIAGYGMSSA-N 1 0 293.459 2.101 10 0 CEAERO Cc1[nH]ccc1C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000175824555 368179575 /nfs/dbraw/zinc/17/95/75/368179575.db2.gz RICXABMBHHKCGR-GFCCVEGCSA-N 1 0 251.374 2.029 10 0 CEAERO O[C@H](CNc1ncc(Cl)cc1F)C[NH+]1CCCCC1 ZINC000175399351 368133512 /nfs/dbraw/zinc/13/35/12/368133512.db2.gz AIAFYOCAQODNAJ-LLVKDONJSA-N 1 0 287.766 2.133 10 0 CEAERO CC(C)C[C@H](C)OCCC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000176298077 368220714 /nfs/dbraw/zinc/22/07/14/368220714.db2.gz KIBWRQHODRBWHV-LSDHHAIUSA-N 1 0 282.428 2.134 10 0 CEAERO CCCC[C@@H](COC)NC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000177526409 368269943 /nfs/dbraw/zinc/26/99/43/368269943.db2.gz YIRUTFDWPBIICS-GJZGRUSLSA-N 1 0 299.459 2.317 10 0 CEAERO COc1ccc([C@@H]([NH2+]C[C@@H]2CN(C)CCO2)C(C)C)cc1 ZINC000180163437 368369290 /nfs/dbraw/zinc/36/92/90/368369290.db2.gz XPKJYQHUCZOMEY-SJORKVTESA-N 1 0 292.423 2.313 10 0 CEAERO C[C@H]([NH2+]CC(=O)N(C)C)[C@H](C)c1nc2ccccc2s1 ZINC000182185099 368532525 /nfs/dbraw/zinc/53/25/25/368532525.db2.gz DJQPWSUFVSWSAU-QWRGUYRKSA-N 1 0 291.420 2.466 10 0 CEAERO Cn1cc([C@@H]2CCC[N@@H+]2Cc2ccc(CO)cc2)cn1 ZINC000182745056 368585918 /nfs/dbraw/zinc/58/59/18/368585918.db2.gz JFDQFQFOYRMEBE-INIZCTEOSA-N 1 0 271.364 2.250 10 0 CEAERO c1ccc(-c2nc(N3CC[N@@H+]4CCC[C@@H]4C3)no2)cc1 ZINC000184566488 368703388 /nfs/dbraw/zinc/70/33/88/368703388.db2.gz SENHEUCSVYEKHK-CYBMUJFWSA-N 1 0 270.336 2.021 10 0 CEAERO CCN1CCC[C@@H]([NH2+][C@H](C)CC(=O)OC(C)(C)C)C1 ZINC000246043338 370902074 /nfs/dbraw/zinc/90/20/74/370902074.db2.gz XHZQUAAHOBDPTF-CHWSQXEVSA-N 1 0 270.417 2.181 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2nc(C)ccc2OC)C1 ZINC000184266231 368684815 /nfs/dbraw/zinc/68/48/15/368684815.db2.gz VXJUQISVNAZZTG-GFCCVEGCSA-N 1 0 292.383 2.004 10 0 CEAERO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CC[C@@H](C)O1)c1ccco1 ZINC000246048848 370903586 /nfs/dbraw/zinc/90/35/86/370903586.db2.gz PUOTVOSICKBEGZ-UMVBOHGHSA-N 1 0 294.395 2.346 10 0 CEAERO Cc1csc(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)n1 ZINC000246168585 370920100 /nfs/dbraw/zinc/92/01/00/370920100.db2.gz FGSCPKGPLPXWQQ-KOLCDFICSA-N 1 0 282.413 2.302 10 0 CEAERO CSC[C@@H]1CCC[N@@H+]1C[C@@H](O)COCc1ccccc1 ZINC000246234151 370932904 /nfs/dbraw/zinc/93/29/04/370932904.db2.gz FNYFMQDIYSPDOL-JKSUJKDBSA-N 1 0 295.448 2.392 10 0 CEAERO Cc1csc([C@H](NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C2CC2)n1 ZINC000246296534 370942461 /nfs/dbraw/zinc/94/24/61/370942461.db2.gz NRRGLSOFJJAURH-IJLUTSLNSA-N 1 0 279.409 2.146 10 0 CEAERO C[C@H]([NH2+]C1CCN(CCO)CC1)C1CCC(F)(F)CC1 ZINC000682731745 541707532 /nfs/dbraw/zinc/70/75/32/541707532.db2.gz ALSLTJRJDAPBMA-LBPRGKRZSA-N 1 0 290.398 2.247 10 0 CEAERO COc1ccc(NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)c(C)c1 ZINC000634738590 368852196 /nfs/dbraw/zinc/85/21/96/368852196.db2.gz UDLRZHGICOMCTD-LRDDRELGSA-N 1 0 274.364 2.332 10 0 CEAERO C[NH+](C)C[C@H]1CN(CCSCc2ccccc2)CCO1 ZINC000186417167 368972014 /nfs/dbraw/zinc/97/20/14/368972014.db2.gz ODENPNVVPNMWJC-INIZCTEOSA-N 1 0 294.464 2.182 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]Cc2cncc(C)c2)C12CCOCC2 ZINC000186435696 368973792 /nfs/dbraw/zinc/97/37/92/368973792.db2.gz WZZPSSODXLETNE-JKSUJKDBSA-N 1 0 290.407 2.454 10 0 CEAERO C[C@H]1CN(Cc2cc(Cl)cc3c2OCC3)C[C@@H]1C[NH3+] ZINC000634999237 369033210 /nfs/dbraw/zinc/03/32/10/369033210.db2.gz RKNNJKRDAPQGGT-GWCFXTLKSA-N 1 0 280.799 2.302 10 0 CEAERO O=S1(=O)CCC[C@H]([NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000634949892 368984398 /nfs/dbraw/zinc/98/43/98/368984398.db2.gz CTPVNENPEBDDLB-CGAUPDFVSA-N 1 0 297.464 2.368 10 0 CEAERO COCc1nc2n(n1)CCC[C@H]2[NH2+]CCC(C)(C)C ZINC000188099783 369295630 /nfs/dbraw/zinc/29/56/30/369295630.db2.gz DPAWVHKEIUEZSZ-LLVKDONJSA-N 1 0 266.389 2.285 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)c1ccc(C)o1 ZINC000246419378 370959167 /nfs/dbraw/zinc/95/91/67/370959167.db2.gz SLDJRSVPFDUVFG-OLZOCXBDSA-N 1 0 279.384 2.433 10 0 CEAERO Cc1ccn(C)c1C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000189115572 369460511 /nfs/dbraw/zinc/46/05/11/369460511.db2.gz MFNSYESBKZVRSU-CYBMUJFWSA-N 1 0 265.401 2.040 10 0 CEAERO CC[C@](C)(O)C[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000189183747 369471069 /nfs/dbraw/zinc/47/10/69/369471069.db2.gz WSAIQUXCSSPVDV-GJZGRUSLSA-N 1 0 267.344 2.440 10 0 CEAERO CN(Cc1ccncc1Br)C[C@@H]1CC[N@H+](C)C1 ZINC000639081774 370953787 /nfs/dbraw/zinc/95/37/87/370953787.db2.gz TXRBFEOJWGOWIC-LLVKDONJSA-N 1 0 298.228 2.228 10 0 CEAERO CC(C)[C@H](C)NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000189636050 369550730 /nfs/dbraw/zinc/55/07/30/369550730.db2.gz ITKISCRTWYOIIS-LBPRGKRZSA-N 1 0 255.406 2.157 10 0 CEAERO C[C@H]1CSCC[N@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000190405243 369621190 /nfs/dbraw/zinc/62/11/90/369621190.db2.gz URVNGPWLZCOYLI-ZBFHGGJFSA-N 1 0 295.448 2.249 10 0 CEAERO COC(=O)C1CCC([NH2+][C@H]2COc3ccccc32)CC1 ZINC000192445204 369814715 /nfs/dbraw/zinc/81/47/15/369814715.db2.gz FHUXTCTXHVZLHQ-YIZWMMSDSA-N 1 0 275.348 2.442 10 0 CEAERO C[C@H]([NH3+])CCC(=O)N1C[C@H](c2ccccc2)OCC1(C)C ZINC000193236439 369908642 /nfs/dbraw/zinc/90/86/42/369908642.db2.gz CXCPCDRNQLTENZ-DZGCQCFKSA-N 1 0 290.407 2.493 10 0 CEAERO CCCCOC[C@H](O)C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000195213234 370115528 /nfs/dbraw/zinc/11/55/28/370115528.db2.gz OCBSHOCDQXTJIU-SWLSCSKDSA-N 1 0 267.369 2.220 10 0 CEAERO CN(Cc1cccnc1)C[C@@H]1CC[N@H+](CCCF)C1 ZINC000195270917 370120800 /nfs/dbraw/zinc/12/08/00/370120800.db2.gz RMMFZLQDAXFGAA-HNNXBMFYSA-N 1 0 265.376 2.195 10 0 CEAERO O[C@@H](Cc1ccccc1)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195507720 370135462 /nfs/dbraw/zinc/13/54/62/370135462.db2.gz QMBJWNYOWTYYKT-INIZCTEOSA-N 1 0 285.391 2.193 10 0 CEAERO CC(C)CC[C@H]([NH3+])C(=O)N[C@@H]1CCOc2ccccc21 ZINC000637883335 370145167 /nfs/dbraw/zinc/14/51/67/370145167.db2.gz ONXPKBUAQXFKIZ-UONOGXRCSA-N 1 0 276.380 2.390 10 0 CEAERO C[C@@H](NC(=O)C1=CC[C@H]([NH3+])C1)c1ccc(F)c(F)c1 ZINC000637887757 370147724 /nfs/dbraw/zinc/14/77/24/370147724.db2.gz YJEVYOGJLYMSDK-KCJUWKMLSA-N 1 0 266.291 2.190 10 0 CEAERO CC1(C(N)=O)CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000211770274 370163246 /nfs/dbraw/zinc/16/32/46/370163246.db2.gz VSQZDYCHZHEHCH-UHFFFAOYSA-N 1 0 268.307 2.052 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cn[nH]c1 ZINC000224936548 370284569 /nfs/dbraw/zinc/28/45/69/370284569.db2.gz DLVQUINFSLXRMA-CMPLNLGQSA-N 1 0 280.372 2.070 10 0 CEAERO CC[NH2+][C@@H](C)C(=O)N1CCCC[C@H]1c1nccs1 ZINC000638096000 370296916 /nfs/dbraw/zinc/29/69/16/370296916.db2.gz JOMVZKIJWYDAFK-QWRGUYRKSA-N 1 0 267.398 2.195 10 0 CEAERO COCCCCCN1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000227361278 370369730 /nfs/dbraw/zinc/36/97/30/370369730.db2.gz PYZVZLISIVZAML-GJZGRUSLSA-N 1 0 254.418 2.362 10 0 CEAERO CCC[C@H]1C[C@@H]1NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000227806477 370385333 /nfs/dbraw/zinc/38/53/33/370385333.db2.gz KTGHGAXWDJAKBP-PJODQICGSA-N 1 0 285.391 2.343 10 0 CEAERO CCCCOC[C@@H](O)C[N@H+](C)Cc1cccs1 ZINC000227905535 370389244 /nfs/dbraw/zinc/38/92/44/370389244.db2.gz MLXOXTQLNWWHOY-LBPRGKRZSA-N 1 0 257.399 2.358 10 0 CEAERO Cc1ccc(C(=O)CCN2C[C@H]([NH+](C)C)[C@@H](C)C2)cc1 ZINC000226104878 370328685 /nfs/dbraw/zinc/32/86/85/370328685.db2.gz UNUOPIPOHVQPNN-HOCLYGCPSA-N 1 0 274.408 2.450 10 0 CEAERO Cc1n[nH]cc1C[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000230167888 370443262 /nfs/dbraw/zinc/44/32/62/370443262.db2.gz CZRJZXUFXJGYKW-GFCCVEGCSA-N 1 0 294.399 2.065 10 0 CEAERO Brc1ncccc1NC[C@H]1CCC[NH2+]1 ZINC000232459409 370506012 /nfs/dbraw/zinc/50/60/12/370506012.db2.gz RSFBGAFUMSEKKE-MRVPVSSYSA-N 1 0 256.147 2.008 10 0 CEAERO CN(Cc1cnn(-c2ccccc2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000231454219 370479364 /nfs/dbraw/zinc/47/93/64/370479364.db2.gz OVWDBGWOIIREDG-MRXNPFEDSA-N 1 0 284.407 2.446 10 0 CEAERO [NH3+]CCNc1ncc(Br)cc1C(F)(F)F ZINC000236269447 370585984 /nfs/dbraw/zinc/58/59/84/370585984.db2.gz BYGMCWYAZDGWFH-UHFFFAOYSA-N 1 0 284.079 2.234 10 0 CEAERO c1cn(Cc2ccccc2)c(CN2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000246710871 370998627 /nfs/dbraw/zinc/99/86/27/370998627.db2.gz GWZRKIMAGRTSBH-KRWDZBQOSA-N 1 0 296.418 2.211 10 0 CEAERO CC[C@@H]1CCN(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)C1 ZINC000246721309 371000179 /nfs/dbraw/zinc/00/01/79/371000179.db2.gz ADMVZFKZMBEQEE-MGPQQGTHSA-N 1 0 267.417 2.157 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CSc1ccccc1 ZINC000247017347 371047147 /nfs/dbraw/zinc/04/71/47/371047147.db2.gz FZOURKHDMSEUEN-KBPBESRZSA-N 1 0 290.432 2.474 10 0 CEAERO C[C@@H]([NH2+][C@@H](C)C(=O)NC[C@H]1CCCO1)c1cccs1 ZINC000246840907 371018750 /nfs/dbraw/zinc/01/87/50/371018750.db2.gz DKYAFTAGBYBYID-GRYCIOLGSA-N 1 0 282.409 2.082 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCc1cscn1 ZINC000246941620 371034794 /nfs/dbraw/zinc/03/47/94/371034794.db2.gz KYDMUHFFHKPUNU-KGLIPLIRSA-N 1 0 293.436 2.161 10 0 CEAERO CC(C)CCCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247129820 371068962 /nfs/dbraw/zinc/06/89/62/371068962.db2.gz JIFWYHYQZHKIMP-KBPBESRZSA-N 1 0 267.417 2.301 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CCCCC2)C1 ZINC000247200233 371075040 /nfs/dbraw/zinc/07/50/40/371075040.db2.gz BULYPOHBAHCMLF-QLFBSQMISA-N 1 0 264.413 2.365 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cnc(Cl)s1 ZINC000247233093 371079975 /nfs/dbraw/zinc/07/99/75/371079975.db2.gz SHTSFNXDHZCVLX-UWVGGRQHSA-N 1 0 271.817 2.465 10 0 CEAERO CCC1(CNC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)CC1 ZINC000247285094 371088197 /nfs/dbraw/zinc/08/81/97/371088197.db2.gz KNKNNXPZIBQZMR-CHWSQXEVSA-N 1 0 267.417 2.205 10 0 CEAERO C[C@H](O)C[N@@H+]1CCN(Cc2cccc(Cl)c2)C[C@@H]1C ZINC000247772040 371140566 /nfs/dbraw/zinc/14/05/66/371140566.db2.gz PMDQUUYDHKKATJ-STQMWFEESA-N 1 0 282.815 2.227 10 0 CEAERO C[C@H](O)C[N@@H+]1CCN([C@@H](C)c2ccc(F)cc2)C[C@H]1C ZINC000247772606 371141512 /nfs/dbraw/zinc/14/15/12/371141512.db2.gz PQGRZUMKLXFRGY-RDBSUJKOSA-N 1 0 280.387 2.274 10 0 CEAERO C[C@H](NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)c1ccccn1 ZINC000247467277 371112269 /nfs/dbraw/zinc/11/22/69/371112269.db2.gz RJJXUWXMENHYOS-IHRRRGAJSA-N 1 0 288.395 2.021 10 0 CEAERO CN(C)C(=O)[C@H]1CCC[N@@H+]1C/C=C\c1ccccc1 ZINC000247969767 371150639 /nfs/dbraw/zinc/15/06/39/371150639.db2.gz HFUHIQPFPBONDR-IZIDJEDMSA-N 1 0 258.365 2.252 10 0 CEAERO C[C@@H](NC(=O)N[C@H]1C[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248409969 371188440 /nfs/dbraw/zinc/18/84/40/371188440.db2.gz XNMFZQZNWQADPR-BHPKHCPMSA-N 1 0 279.428 2.347 10 0 CEAERO C[C@H]1CCC[N@H+](Cc2cn(Cc3cccnc3)nn2)[C@H]1C ZINC000248446911 371196276 /nfs/dbraw/zinc/19/62/76/371196276.db2.gz CTYCSQSYWVMAGF-KBPBESRZSA-N 1 0 285.395 2.342 10 0 CEAERO COc1ccccc1NC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000234905012 189824604 /nfs/dbraw/zinc/82/46/04/189824604.db2.gz BGCOBURJCJTMEE-NWDGAFQWSA-N 1 0 277.368 2.286 10 0 CEAERO C[N@H+](CCN1CCOC[C@H]1C1CC1)Cc1ccc(F)cc1 ZINC000248554357 371211224 /nfs/dbraw/zinc/21/12/24/371211224.db2.gz KAXOCFURMKKEGE-KRWDZBQOSA-N 1 0 292.398 2.368 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[C@H]1CCC[C@H](C)C1 ZINC000235640838 189829105 /nfs/dbraw/zinc/82/91/05/189829105.db2.gz RSBVVWJIYRDTST-REWJHTLYSA-N 1 0 252.402 2.175 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@H]1CCC=CO1 ZINC000249096540 371292711 /nfs/dbraw/zinc/29/27/11/371292711.db2.gz VQAQQBBUORJTJA-QLFBSQMISA-N 1 0 250.386 2.238 10 0 CEAERO O[C@H](C[N@@H+]1CC[C@@H](Oc2cccnc2)C1)C1CCCCC1 ZINC000249141328 371300135 /nfs/dbraw/zinc/30/01/35/371300135.db2.gz WFMMFRGBYBOYAD-IAGOWNOFSA-N 1 0 290.407 2.476 10 0 CEAERO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H](O)C(F)(F)F ZINC000249422549 371321675 /nfs/dbraw/zinc/32/16/75/371321675.db2.gz HSFSWBOZTPWEAB-OUAUKWLOSA-N 1 0 269.307 2.093 10 0 CEAERO COC(=O)[C@@H]1C[N@H+](C[C@@H]2Cc3ccccc32)C[C@H]1C ZINC000251865003 371419886 /nfs/dbraw/zinc/41/98/86/371419886.db2.gz SUSWNCWXQXDAHE-OSAQELSMSA-N 1 0 259.349 2.067 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@H]2CCC[C@H]2O)c1C ZINC000250459075 371384519 /nfs/dbraw/zinc/38/45/19/371384519.db2.gz URQGLMICIBYECF-ZLKJLUDKSA-N 1 0 265.401 2.331 10 0 CEAERO CC[C@@H]1CN(c2nc(C)cc(C(C)C)n2)CC[C@H]1[NH3+] ZINC000253024499 371492099 /nfs/dbraw/zinc/49/20/99/371492099.db2.gz MKIWKAMFZUDBPT-CHWSQXEVSA-N 1 0 262.401 2.472 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cnccc1C ZINC000252731225 371473898 /nfs/dbraw/zinc/47/38/98/371473898.db2.gz OUIZAIVZFFOFLC-HOTGVXAUSA-N 1 0 259.397 2.449 10 0 CEAERO CC[C@](C)(O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000253211220 371503506 /nfs/dbraw/zinc/50/35/06/371503506.db2.gz BISLBKIWGOXNIZ-YJNKXOJESA-N 1 0 255.402 2.163 10 0 CEAERO CNC(=O)N1CC[C@@H](C2CC[NH+](CCC(C)C)CC2)C1 ZINC000257183463 371605347 /nfs/dbraw/zinc/60/53/47/371605347.db2.gz RODTZJZOBBLVKW-OAHLLOKOSA-N 1 0 281.444 2.406 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(Cc3cc(F)ccc3F)C[C@H]12 ZINC000261556091 371645893 /nfs/dbraw/zinc/64/58/93/371645893.db2.gz BWFDJPDDIKCOQM-LJWDBELGSA-N 1 0 252.308 2.134 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3sccc3Cl)C[C@@H]12 ZINC000261558834 371646151 /nfs/dbraw/zinc/64/61/51/371646151.db2.gz SSUCYAXEQGOLOK-NQMVMOMDSA-N 1 0 270.785 2.211 10 0 CEAERO Cc1nnc(NC[C@@H]2[NH2+]CCc3ccccc32)s1 ZINC000261563052 371650447 /nfs/dbraw/zinc/65/04/47/371650447.db2.gz GUCOOJAIZYFRPI-LBPRGKRZSA-N 1 0 260.366 2.145 10 0 CEAERO [NH3+]C[C@@H]1CN(Cc2cscn2)C[C@H]1c1ccccc1 ZINC000261616513 371679910 /nfs/dbraw/zinc/67/99/10/371679910.db2.gz CMLDXTYVFOWWFZ-HIFRSBDPSA-N 1 0 273.405 2.317 10 0 CEAERO C[NH2+][C@H](C)Cc1noc([C@H](NC(=O)CC(C)C)C(C)C)n1 ZINC000261733003 371714229 /nfs/dbraw/zinc/71/42/29/371714229.db2.gz KJPMHSQUAWHJPR-BXUZGUMPSA-N 1 0 296.415 2.079 10 0 CEAERO Cc1c(-c2nc(C3([NH3+])CCC3)no2)cnn1C(C)(C)C ZINC000261871768 371756960 /nfs/dbraw/zinc/75/69/60/371756960.db2.gz VIVHIAODCILRLA-UHFFFAOYSA-N 1 0 275.356 2.334 10 0 CEAERO C[C@H]1CN(Cc2ccc(OCC3CC3)cc2)C[C@@H]1[NH3+] ZINC000261926737 371772034 /nfs/dbraw/zinc/77/20/34/371772034.db2.gz CIFLEKOPAKVNDI-LRDDRELGSA-N 1 0 260.381 2.254 10 0 CEAERO CCN(Cc1ccnn1C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000261939705 371779328 /nfs/dbraw/zinc/77/93/28/371779328.db2.gz MNUCFYBBHWBRIM-CQSZACIVSA-N 1 0 264.417 2.428 10 0 CEAERO Cc1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)c1 ZINC000262027610 371804199 /nfs/dbraw/zinc/80/41/99/371804199.db2.gz XEUWXLACLBZTBR-KSZLIROESA-N 1 0 288.435 2.284 10 0 CEAERO CCCOc1cc(CN2C[C@H]([NH3+])[C@@H](C)C2)ccc1OC ZINC000262067464 371817565 /nfs/dbraw/zinc/81/75/65/371817565.db2.gz RUHKJTBZMPKEPQ-JSGCOSHPSA-N 1 0 278.396 2.263 10 0 CEAERO COc1cc(CN2C[C@H]([NH3+])[C@@H](C)C2)ccc1SC ZINC000262123821 371827401 /nfs/dbraw/zinc/82/74/01/371827401.db2.gz XNTUSTZUVUZQKI-JQWIXIFHSA-N 1 0 266.410 2.196 10 0 CEAERO COC[C@@H]([NH3+])C(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000262283352 371845892 /nfs/dbraw/zinc/84/58/92/371845892.db2.gz XMQOQWFVLHAWTL-HZPDHXFCSA-N 1 0 288.391 2.029 10 0 CEAERO COC[C@H]([NH3+])C(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000262305688 371849498 /nfs/dbraw/zinc/84/94/98/371849498.db2.gz OJRMSKULIOBXPC-GJZGRUSLSA-N 1 0 276.380 2.008 10 0 CEAERO CC(C)c1nnc(CNC(=O)c2ccc(C[NH3+])cc2)s1 ZINC000262325427 371852538 /nfs/dbraw/zinc/85/25/38/371852538.db2.gz TUYPCXOIAJSZCR-UHFFFAOYSA-N 1 0 290.392 2.050 10 0 CEAERO CC(C)c1nnc(CNC(=O)CCCCCC[NH3+])s1 ZINC000262610583 371883689 /nfs/dbraw/zinc/88/36/89/371883689.db2.gz CUQMTAZDQVIMGR-UHFFFAOYSA-N 1 0 284.429 2.187 10 0 CEAERO CC1(CNc2ccc(OC(F)F)cn2)CC[NH2+]CC1 ZINC000262243713 371842383 /nfs/dbraw/zinc/84/23/83/371842383.db2.gz PGWPZPSHSVPRNQ-UHFFFAOYSA-N 1 0 271.311 2.485 10 0 CEAERO Cc1ccc([C@H]([NH3+])C(=O)NC[C@H]2CCO[C@@H]2C(C)C)cc1 ZINC000262655069 371893469 /nfs/dbraw/zinc/89/34/69/371893469.db2.gz MEOVHZIZZYRIPQ-OWCLPIDISA-N 1 0 290.407 2.172 10 0 CEAERO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000262927510 371924457 /nfs/dbraw/zinc/92/44/57/371924457.db2.gz SIPBEGZCSOKHLF-XRGAULLZSA-N 1 0 272.392 2.355 10 0 CEAERO O=C(Nc1ccc(F)cn1)c1ccc2c(c1)C[NH2+]C2 ZINC000131183863 284310868 /nfs/dbraw/zinc/31/08/68/284310868.db2.gz VXBWGKQFTMBHMG-UHFFFAOYSA-N 1 0 257.268 2.076 10 0 CEAERO Cc1cccc(C)c1CCNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000237624996 189885158 /nfs/dbraw/zinc/88/51/58/189885158.db2.gz VHSWKCAOWREQLL-GJZGRUSLSA-N 1 0 274.408 2.480 10 0 CEAERO CC[C@@H]1C[N@H+](Cc2ccc3ccccc3n2)C[C@@H]1O ZINC000270493600 372811895 /nfs/dbraw/zinc/81/18/95/372811895.db2.gz AXFPBXDRSWBHPC-WBMJQRKESA-N 1 0 256.349 2.438 10 0 CEAERO C[C@H](O)CC(C)(C)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000305781272 299440075 /nfs/dbraw/zinc/44/00/75/299440075.db2.gz OXBBLUPXABAHDV-RVMXOQNASA-N 1 0 255.402 2.187 10 0 CEAERO [NH3+]C1(c2noc([C@@H]3CCc4c[nH]nc4C3)n2)CCCCC1 ZINC000333463003 205343616 /nfs/dbraw/zinc/34/36/16/205343616.db2.gz GWHVBPUTOKOCLD-SNVBAGLBSA-N 1 0 287.367 2.183 10 0 CEAERO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643634964 373226761 /nfs/dbraw/zinc/22/67/61/373226761.db2.gz PIUUSJNMULVWBH-AAEUAGOBSA-N 1 0 296.798 2.095 10 0 CEAERO CCCCc1ccc(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000643600471 373210892 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C[C@@H](CNC(=O)[C@@]1(C)CCC[NH2+]1)COCc1ccccc1 ZINC000390242274 375310222 /nfs/dbraw/zinc/31/02/22/375310222.db2.gz IBRIZOMSCVKSBE-WMLDXEAASA-N 1 0 290.407 2.098 10 0 CEAERO CC(C)Oc1ccccc1C[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000282406001 375476108 /nfs/dbraw/zinc/47/61/08/375476108.db2.gz PYKQXZPSVMFUGY-JSGCOSHPSA-N 1 0 276.380 2.231 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H]2CCc3ccc(C)cc32)C1 ZINC000165261813 541998825 /nfs/dbraw/zinc/99/88/25/541998825.db2.gz OTOLCCLPWSIUSG-NVXWUHKLSA-N 1 0 274.408 2.293 10 0 CEAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)c1cc(F)ccc1F ZINC000282417546 375480188 /nfs/dbraw/zinc/48/01/88/375480188.db2.gz QPEYMUYURAILLW-RWEMILLDSA-N 1 0 268.307 2.283 10 0 CEAERO C[C@@H](C[NH2+]Cc1cccnc1)N(C)C(=O)OC(C)(C)C ZINC000282825428 375586374 /nfs/dbraw/zinc/58/63/74/375586374.db2.gz NRDHGBSUNKPUEA-LBPRGKRZSA-N 1 0 279.384 2.427 10 0 CEAERO C[C@@H](C[NH2+][C@@H](C)c1cnccn1)N(C)C(=O)OC(C)(C)C ZINC000282754616 375566736 /nfs/dbraw/zinc/56/67/36/375566736.db2.gz BATNBXWXCFXUHS-RYUDHWBXSA-N 1 0 294.399 2.383 10 0 CEAERO Ic1ccc(C[C@H]2C=CC[NH2+]2)cc1 ZINC000306722117 376554171 /nfs/dbraw/zinc/55/41/71/376554171.db2.gz FKIYGRSJUGEXHK-LLVKDONJSA-N 1 0 285.128 2.362 10 0 CEAERO C[C@@H]1CC[C@@H](CCN2C(=O)c3ccccc3C2=O)[NH2+]C1 ZINC000306801920 376556281 /nfs/dbraw/zinc/55/62/81/376556281.db2.gz SFCPUUQKAZMMAM-NEPJUHHUSA-N 1 0 272.348 2.061 10 0 CEAERO CC[C@@]1(CN2C(=O)c3ccccc3C2=O)CCC[NH2+]C1 ZINC000307501311 376567106 /nfs/dbraw/zinc/56/71/06/376567106.db2.gz VCEKBOVNHAQDIZ-MRXNPFEDSA-N 1 0 272.348 2.062 10 0 CEAERO CC[N@H+](CCOCCO)Cc1ccc2ccccc2n1 ZINC000312690885 376723473 /nfs/dbraw/zinc/72/34/73/376723473.db2.gz BVGOCHZLZSFQBT-UHFFFAOYSA-N 1 0 274.364 2.066 10 0 CEAERO Cc1cc(Br)cnc1NCCC[NH2+]C(C)C ZINC000561263846 376804663 /nfs/dbraw/zinc/80/46/63/376804663.db2.gz QLMZBEGOLXKXKG-UHFFFAOYSA-N 1 0 286.217 2.374 10 0 CEAERO CCN1CC[C@@H]([NH2+][C@H](C)c2cccc(NC(C)=O)c2)C1 ZINC000328509329 376852454 /nfs/dbraw/zinc/85/24/54/376852454.db2.gz MVOJFXNSBPIGOP-MLGOLLRUSA-N 1 0 275.396 2.390 10 0 CEAERO COCCCS[C@H](C[NH3+])C(F)(F)C(F)(F)F ZINC000616568460 542153909 /nfs/dbraw/zinc/15/39/09/542153909.db2.gz AJDICCWVRSZLPB-ZCFIWIBFSA-N 1 0 267.263 2.281 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H](C)CCCC(F)(F)F)C1 ZINC000165912789 542154429 /nfs/dbraw/zinc/15/44/29/542154429.db2.gz CQQLFBACCGHGLV-NWDGAFQWSA-N 1 0 282.350 2.418 10 0 CEAERO [NH3+][C@H]1CN(C(=O)C2CCC2)CC[C@H]1c1ccccc1 ZINC000616570533 542157046 /nfs/dbraw/zinc/15/70/46/542157046.db2.gz NATUYMUZXYGWKV-GJZGRUSLSA-N 1 0 258.365 2.130 10 0 CEAERO COC[C@]1(C)CC[N@H+](C[C@@](C)(O)c2ccccc2)C1 ZINC000294084681 377898063 /nfs/dbraw/zinc/89/80/63/377898063.db2.gz AOGIRPDXZRFQDS-HZPDHXFCSA-N 1 0 263.381 2.253 10 0 CEAERO Cc1c(Cl)cccc1NC(=O)CN1CCC[C@@H](O)[C@@H]1C ZINC000296357097 378501289 /nfs/dbraw/zinc/50/12/89/378501289.db2.gz RXIFYCPNYPRXMN-SMDDNHRTSA-N 1 0 296.798 2.432 10 0 CEAERO Cc1cc([C@H](C)[NH2+][C@H]2CCC(=O)N[C@H]2C)cs1 ZINC000296396182 378516485 /nfs/dbraw/zinc/51/64/85/378516485.db2.gz KEBBUECVTBEMRQ-NHCYSSNCSA-N 1 0 252.383 2.374 10 0 CEAERO CC(C)[C@@H]([NH2+]Cc1cc(F)cc(Cl)c1)C(N)=O ZINC000230226444 542239598 /nfs/dbraw/zinc/23/95/98/542239598.db2.gz JAWAZHPHZQWMKT-LLVKDONJSA-N 1 0 258.724 2.079 10 0 CEAERO C[C@@H](O)CN1CC[N@H+](CC(C)(C)c2ccccc2)C[C@H]1C ZINC000180084592 542260362 /nfs/dbraw/zinc/26/03/62/542260362.db2.gz MONJIIYXEASIQT-HZPDHXFCSA-N 1 0 290.451 2.351 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)c1nccc(C(F)(F)F)n1 ZINC000267021583 190298004 /nfs/dbraw/zinc/29/80/04/190298004.db2.gz JRYIWQJAPLROQO-SNVBAGLBSA-N 1 0 288.317 2.416 10 0 CEAERO CNC(=O)[C@H]([NH2+]C[C@H](C)Cc1ccccc1)C(C)C ZINC000182070885 542278312 /nfs/dbraw/zinc/27/83/12/542278312.db2.gz RMTCYTQZMCVAPB-UKRRQHHQSA-N 1 0 262.397 2.225 10 0 CEAERO CN(CCC[NH+](C)C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000185229521 542304011 /nfs/dbraw/zinc/30/40/11/542304011.db2.gz WFIZBFFWJNYBSQ-AWEZNQCLSA-N 1 0 291.395 2.103 10 0 CEAERO CN(CCC[NH+](C)C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000185229503 542304195 /nfs/dbraw/zinc/30/41/95/542304195.db2.gz WFIZBFFWJNYBSQ-CQSZACIVSA-N 1 0 291.395 2.103 10 0 CEAERO C[NH2+]Cc1c(Cl)cccc1N(CCO)C1CC1 ZINC000042480317 184553830 /nfs/dbraw/zinc/55/38/30/184553830.db2.gz FSKBCNWZHRORHQ-UHFFFAOYSA-N 1 0 254.761 2.021 10 0 CEAERO CN(Cc1ccc(Cl)s1)[C@@H](C[NH3+])c1cnn(C)c1 ZINC000042488710 184554493 /nfs/dbraw/zinc/55/44/93/184554493.db2.gz TWDANWQDZVJGJR-NSHDSACASA-N 1 0 284.816 2.267 10 0 CEAERO CC(C)[NH2+]CCCC(=O)N[C@@H](C)CCc1ccco1 ZINC000040825088 184549296 /nfs/dbraw/zinc/54/92/96/184549296.db2.gz KTKVPSGEVYJTRM-ZDUSSCGKSA-N 1 0 266.385 2.495 10 0 CEAERO C[NH2+][C@H](C)c1ccc(S[C@@H](C)C(=O)NCCOC)cc1 ZINC000079579899 184593922 /nfs/dbraw/zinc/59/39/22/184593922.db2.gz NQCNYHCPVCNYRF-NEPJUHHUSA-N 1 0 296.436 2.210 10 0 CEAERO C[NH2+][C@H](C)c1ccc(S[C@H](C)C(=O)NCCOC)cc1 ZINC000079579903 184594226 /nfs/dbraw/zinc/59/42/26/184594226.db2.gz NQCNYHCPVCNYRF-VXGBXAGGSA-N 1 0 296.436 2.210 10 0 CEAERO C[NH2+][C@H]1CCCC[C@H]1Sc1nnnn1C1CCCC1 ZINC000081866551 184598856 /nfs/dbraw/zinc/59/88/56/184598856.db2.gz QWCOBYQNSFYXNL-NWDGAFQWSA-N 1 0 281.429 2.411 10 0 CEAERO CCC[NH2+][C@@](C)(CO)CCCCN(C)CC(F)(F)F ZINC000085241191 184609403 /nfs/dbraw/zinc/60/94/03/184609403.db2.gz SOHFMUZEKUJBQA-GFCCVEGCSA-N 1 0 284.366 2.401 10 0 CEAERO C[NH2+][C@H](C[C@@H]1CCCO1)c1ccc2c(c1)CC(=O)N2C ZINC000087213345 184612967 /nfs/dbraw/zinc/61/29/67/184612967.db2.gz IHUUOKBDLRIFSW-UONOGXRCSA-N 1 0 274.364 2.035 10 0 CEAERO C[NH2+]Cc1ccc(C)c(S(=O)(=O)N(C)[C@@H](C)C2CC2)c1 ZINC000088962734 184615643 /nfs/dbraw/zinc/61/56/43/184615643.db2.gz WULSYJBHEACDEI-LBPRGKRZSA-N 1 0 296.436 2.133 10 0 CEAERO CC1(C)C([NH2+]C[C@H](O)COc2ccccc2)C1(C)C ZINC000092817108 184628629 /nfs/dbraw/zinc/62/86/29/184628629.db2.gz ZCVYYQMPEFRIQM-LBPRGKRZSA-N 1 0 263.381 2.451 10 0 CEAERO CCn1cc(C2CC[NH+](Cc3ccnn3C)CC2)cn1 ZINC000092809321 184628691 /nfs/dbraw/zinc/62/86/91/184628691.db2.gz BQIJMFQPQPTAEB-UHFFFAOYSA-N 1 0 273.384 2.016 10 0 CEAERO CN(CC(C)(C)O)C(=O)CC[C@H](CC[NH3+])C(C)(C)C ZINC000092983877 184640789 /nfs/dbraw/zinc/64/07/89/184640789.db2.gz HPBILMXOJCLQOL-GFCCVEGCSA-N 1 0 272.433 2.007 10 0 CEAERO C[NH2+]C[C@@H]1CCO[C@H]1c1ccc2c(c1)OCCCO2 ZINC000092862739 184633313 /nfs/dbraw/zinc/63/33/13/184633313.db2.gz MKGKKMAVOAMJGQ-WFASDCNBSA-N 1 0 263.337 2.145 10 0 CEAERO Cc1ccccc1C1(Cc2ncnn2CC(C)C)C[NH2+]C1 ZINC000093196359 184654796 /nfs/dbraw/zinc/65/47/96/184654796.db2.gz AIPMBTUPZXTQLA-UHFFFAOYSA-N 1 0 284.407 2.326 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000093206108 184655415 /nfs/dbraw/zinc/65/54/15/184655415.db2.gz QXJUUEUWNKTXDM-DGCLKSJQSA-N 1 0 259.353 2.105 10 0 CEAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC000093207540 184655676 /nfs/dbraw/zinc/65/56/76/184655676.db2.gz KRRASGAYZHYUDI-YNEHKIRRSA-N 1 0 284.400 2.058 10 0 CEAERO C[NH2+]C[C@H](CCCS(C)(=O)=O)c1ccccc1C ZINC000093105183 184649976 /nfs/dbraw/zinc/64/99/76/184649976.db2.gz PIJUKKSZAVSZNC-ZDUSSCGKSA-N 1 0 269.410 2.123 10 0 CEAERO Cc1ccc([C@@H](C[NH2+]C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000093138736 184651638 /nfs/dbraw/zinc/65/16/38/184651638.db2.gz OCRVDEIKHOIEDP-GDBMZVCRSA-N 1 0 293.432 2.265 10 0 CEAERO COCCC[NH2+]C[C@@H](C)N(C)CCc1cccs1 ZINC000093271865 184660390 /nfs/dbraw/zinc/66/03/90/184660390.db2.gz POAWEEDKYYQVIA-CYBMUJFWSA-N 1 0 270.442 2.237 10 0 CEAERO CC(C)[C@@H](C[NH3+])C(=O)N(C)[C@H](C)Cc1cccs1 ZINC000093289242 184661043 /nfs/dbraw/zinc/66/10/43/184661043.db2.gz IEQNICTWHXXWBW-DGCLKSJQSA-N 1 0 268.426 2.368 10 0 CEAERO Cn1cc(C[NH3+])c(-c2ccc(OCC(F)(F)F)cc2)n1 ZINC000093296844 184661643 /nfs/dbraw/zinc/66/16/43/184661643.db2.gz VSIUPENYHBNXNF-UHFFFAOYSA-N 1 0 285.269 2.487 10 0 CEAERO CCOC(OCC)[C@@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000093306650 184662218 /nfs/dbraw/zinc/66/22/18/184662218.db2.gz NXDYVDDAQZAOGK-AWEZNQCLSA-N 1 0 281.352 2.247 10 0 CEAERO CC[C@](C)(O)C[NH2+][C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000093208705 184656025 /nfs/dbraw/zinc/65/60/25/184656025.db2.gz GYHBTFKIRKYYIM-XUJVJEKNSA-N 1 0 286.416 2.183 10 0 CEAERO CC(=O)Nc1ccc(F)c(N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000093211135 184656127 /nfs/dbraw/zinc/65/61/27/184656127.db2.gz BFBKVWNVMJSWNW-GHMZBOCLSA-N 1 0 265.332 2.466 10 0 CEAERO COCCN1CC[N@H+](C[C@@H]2CCC[C@H](C)C2)C[C@H]1C ZINC000133388477 285050130 /nfs/dbraw/zinc/05/01/30/285050130.db2.gz AGVMUBKMCQQILH-ARFHVFGLSA-N 1 0 268.445 2.465 10 0 CEAERO Cc1c(F)cccc1C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000335413071 208399639 /nfs/dbraw/zinc/39/96/39/208399639.db2.gz IWPYXZQXMFCRCL-ZWNOBZJWSA-N 1 0 250.317 2.004 10 0 CEAERO CCN(Cc1ccnn1C(C)C)[C@H]1CCC[NH2+]CC1 ZINC000261939700 285123011 /nfs/dbraw/zinc/12/30/11/285123011.db2.gz MNUCFYBBHWBRIM-AWEZNQCLSA-N 1 0 264.417 2.428 10 0 CEAERO [NH2+]=C1NC[C@H](Cc2ccccc2)N1Cc1ccccc1 ZINC000093357327 184666430 /nfs/dbraw/zinc/66/64/30/184666430.db2.gz KBHJAZMZZVGMMT-INIZCTEOSA-N 1 0 265.360 2.428 10 0 CEAERO CNC(=O)c1ccc(N[C@@H](C)C[C@H]2CCCC[NH2+]2)cc1 ZINC000093484019 184681845 /nfs/dbraw/zinc/68/18/45/184681845.db2.gz WSYTTZRYACDNDM-SWLSCSKDSA-N 1 0 275.396 2.379 10 0 CEAERO COc1ccc([C@H](O)C[C@@H]2CCCC[NH2+]2)cc1OC ZINC000093517149 184687014 /nfs/dbraw/zinc/68/70/14/184687014.db2.gz GCCLTVAODPKDLJ-QWHCGFSZSA-N 1 0 265.353 2.269 10 0 CEAERO COC(=O)[C@H](N[C@@H]1CCCC[C@@H]1[C@@H]1CCCC[NH2+]1)C(C)C ZINC000093494618 184684708 /nfs/dbraw/zinc/68/47/08/184684708.db2.gz DUVJYWUDISZPGF-QKPAOTATSA-N 1 0 296.455 2.475 10 0 CEAERO Cc1cnc(CN[C@@H](C)C[C@H]2CCCCC[NH2+]2)cn1 ZINC000093516371 184686617 /nfs/dbraw/zinc/68/66/17/184686617.db2.gz NETONEKOTDWLCE-GXTWGEPZSA-N 1 0 262.401 2.185 10 0 CEAERO NC1=[NH+]C[C@@H]([C@H]2CCCOC2)N1C1CCCCCC1 ZINC000093376124 184668745 /nfs/dbraw/zinc/66/87/45/184668745.db2.gz DMXLCIDWTFUOJO-JSGCOSHPSA-N 1 0 265.401 2.135 10 0 CEAERO C[C@@H](C[C@H]1CCC[NH2+]1)Nc1ccc(Cn2cncn2)cc1 ZINC000093463143 184678872 /nfs/dbraw/zinc/67/88/72/184678872.db2.gz GMXYLMYZALIVRW-XJKSGUPXSA-N 1 0 285.395 2.269 10 0 CEAERO CCC[NH2+][C@H]1CCC(C)(C)C[C@@H]1S(=O)(=O)CC ZINC000081925292 177898703 /nfs/dbraw/zinc/89/87/03/177898703.db2.gz RZIOHLHPQYUGPD-RYUDHWBXSA-N 1 0 261.431 2.368 10 0 CEAERO CC(C)n1c(S[C@@H]2CCCCCC[C@@H]2[NH3+])n[nH]c1=O ZINC000081879428 177873167 /nfs/dbraw/zinc/87/31/67/177873167.db2.gz CUOWTQZMUNHIMH-WDEREUQCSA-N 1 0 284.429 2.295 10 0 CEAERO CC[C@H](Sc1nnnn1C)[C@H]([NH2+]C)c1ccccc1 ZINC000081843182 177865853 /nfs/dbraw/zinc/86/58/53/177865853.db2.gz CFNHMBDCJHPKLN-NWDGAFQWSA-N 1 0 277.397 2.042 10 0 CEAERO c1ccc2nc(-c3noc(CC4C[NH2+]C4)n3)ccc2c1 ZINC000081767735 177855589 /nfs/dbraw/zinc/85/55/89/177855589.db2.gz JBKGLAKDQRGWGH-UHFFFAOYSA-N 1 0 266.304 2.047 10 0 CEAERO O[C@@H]1CCCC[C@H]1[N@@H+]1CCOc2c(F)cccc2C1 ZINC000334640861 285313926 /nfs/dbraw/zinc/31/39/26/285313926.db2.gz KHZAVFPHUNFURX-ZIAGYGMSSA-N 1 0 265.328 2.324 10 0 CEAERO COc1ccc(NC(=O)[C@@H]2CCCCC[NH2+]2)cc1C ZINC000080999133 177752554 /nfs/dbraw/zinc/75/25/54/177752554.db2.gz JNHILFGRBKKETH-ZDUSSCGKSA-N 1 0 262.353 2.474 10 0 CEAERO O=C([C@@H]1CCCCC[NH2+]1)N1CCC[C@@H]1c1ccncc1 ZINC000080994185 177749457 /nfs/dbraw/zinc/74/94/57/177749457.db2.gz AIUZLOBDQLKQRU-LSDHHAIUSA-N 1 0 273.380 2.277 10 0 CEAERO CC[C@@](C)(CO)NC(=O)CC[C@H](CC[NH3+])C(C)(C)C ZINC000080886139 177723584 /nfs/dbraw/zinc/72/35/84/177723584.db2.gz GBSTZJAJGIXURK-DOMZBBRYSA-N 1 0 272.433 2.055 10 0 CEAERO CCCS(=O)(=O)c1ccccc1N[C@@](C)(CC)C[NH3+] ZINC000080885430 177722947 /nfs/dbraw/zinc/72/29/47/177722947.db2.gz ZBTLYHHQZPOVQE-AWEZNQCLSA-N 1 0 284.425 2.410 10 0 CEAERO CC[C@@](C)(C[NH3+])NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000080885257 177723096 /nfs/dbraw/zinc/72/30/96/177723096.db2.gz VZYVEXYQDVQHMS-NTUGICLWSA-N 1 0 264.413 2.446 10 0 CEAERO CCOC(=O)C[C@H]([C@@H]1CCOC1)[NH+]1CCCCCC1 ZINC000080685784 177691349 /nfs/dbraw/zinc/69/13/49/177691349.db2.gz FQFVGGFUISYOHF-ZIAGYGMSSA-N 1 0 269.385 2.221 10 0 CEAERO CCO[C@H]1C[C@H]([NH2+]CCc2nccs2)C12CCOCC2 ZINC000186301113 270249451 /nfs/dbraw/zinc/24/94/51/270249451.db2.gz SZQFKRGIVZWEDA-STQMWFEESA-N 1 0 296.436 2.249 10 0 CEAERO COC[C@H](C)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000103431714 285329485 /nfs/dbraw/zinc/32/94/85/285329485.db2.gz ZWFOVCWCVOVSCL-HNNXBMFYSA-N 1 0 296.455 2.384 10 0 CEAERO CC[C@H]1CC[C@]([NH2+]Cc2cccs2)(C(N)=O)C1 ZINC000080467522 177656460 /nfs/dbraw/zinc/65/64/60/177656460.db2.gz UCRGENAYZQIDEF-GXFFZTMASA-N 1 0 252.383 2.272 10 0 CEAERO Cc1ccc(C[C@@H](C)[NH2+][C@H](C)C(=O)N(C)C)s1 ZINC000080245166 177630818 /nfs/dbraw/zinc/63/08/18/177630818.db2.gz FBKAEYNLWWOITD-MWLCHTKSSA-N 1 0 254.399 2.054 10 0 CEAERO CCCOC[C@H]([NH2+]C)C1(N2CCCC2)CCCC1 ZINC000093550342 184689389 /nfs/dbraw/zinc/68/93/89/184689389.db2.gz CWEUCQCTDWFAQQ-AWEZNQCLSA-N 1 0 254.418 2.410 10 0 CEAERO C[NH2+][C@@H]1CCC[C@H]1CCn1cnc2ccccc2c1=O ZINC000093556743 184691183 /nfs/dbraw/zinc/69/11/83/184691183.db2.gz MFYOYTVRXVXLGN-GXTWGEPZSA-N 1 0 271.364 2.175 10 0 CEAERO C[NH2+][C@H]1CCC[C@@H]1CCSc1n[nH]c(=O)n1C(C)C ZINC000093578922 184691510 /nfs/dbraw/zinc/69/15/10/184691510.db2.gz XVUKHBOMPGEVDQ-MNOVXSKESA-N 1 0 284.429 2.023 10 0 CEAERO CC[NH2+][C@]1(CO)CCC[C@H]1CCSc1nncs1 ZINC000093622733 184697553 /nfs/dbraw/zinc/69/75/53/184697553.db2.gz HQFWBWFASDYSGI-JQWIXIFHSA-N 1 0 287.454 2.161 10 0 CEAERO COC(=O)[C@@]1([NH3+])CCC[C@H]1CCOc1ccccc1F ZINC000093624806 184697853 /nfs/dbraw/zinc/69/78/53/184697853.db2.gz HVFBUYWUQYXJIY-XHDPSFHLSA-N 1 0 281.327 2.265 10 0 CEAERO CC[NH2+][C@@]1(CO)CCC[C@@H]1CCSc1cnn(C)c1 ZINC000093623240 184697957 /nfs/dbraw/zinc/69/79/57/184697957.db2.gz LTFLGGFAIFKPEU-TZMCWYRMSA-N 1 0 283.441 2.043 10 0 CEAERO C[NH2+][C@]1(C(N)=O)CCC[C@H]1CCOCCC(C)(C)C ZINC000093626272 184698275 /nfs/dbraw/zinc/69/82/75/184698275.db2.gz QEEWOWOMPRHPFZ-SWLSCSKDSA-N 1 0 270.417 2.073 10 0 CEAERO CCc1nn(CC)c(C[C@@H]([NH2+]C)[C@@H](C)OC)c1Cl ZINC000093690436 184707282 /nfs/dbraw/zinc/70/72/82/184707282.db2.gz HODOUANOVZQVDQ-MWLCHTKSSA-N 1 0 273.808 2.284 10 0 CEAERO CC[NH2+][C@@]1(CO)CCC[C@H](n2ncc3ccccc32)C1 ZINC000093783966 184721625 /nfs/dbraw/zinc/72/16/25/184721625.db2.gz PRQDCQJMDNYBRG-HOCLYGCPSA-N 1 0 273.380 2.492 10 0 CEAERO CC[NH2+][C@H](CC1CCCC1)[C@H]1CN(CC)CCO1 ZINC000093914540 184741168 /nfs/dbraw/zinc/74/11/68/184741168.db2.gz HXDHRUMMMSEWKA-HUUCEWRRSA-N 1 0 254.418 2.266 10 0 CEAERO CN(CC1CC[NH2+]CC1)C(=O)c1ccc(Cl)s1 ZINC000094022163 184750120 /nfs/dbraw/zinc/75/01/20/184750120.db2.gz SQLNXYXQCQJBMY-UHFFFAOYSA-N 1 0 272.801 2.473 10 0 CEAERO [NH3+][C@H](c1ccc2c(c1)OCCCO2)c1ccc(F)cn1 ZINC000094046240 184752401 /nfs/dbraw/zinc/75/24/01/184752401.db2.gz GWCVSKCRIFSKJQ-OAHLLOKOSA-N 1 0 274.295 2.430 10 0 CEAERO CCOc1cc(N(CC2CC[NH2+]CC2)C(C)C)nc(C)n1 ZINC000094044440 184752729 /nfs/dbraw/zinc/75/27/29/184752729.db2.gz XUMWQZKEJFMBSI-UHFFFAOYSA-N 1 0 292.427 2.398 10 0 CEAERO [NH3+]C1CCC(Nc2cc3c(cc2F)CCC(=O)N3)CC1 ZINC000094079958 184753900 /nfs/dbraw/zinc/75/39/00/184753900.db2.gz LUDIIHWVZHNVAM-UHFFFAOYSA-N 1 0 277.343 2.392 10 0 CEAERO CC[NH2+]CC[C@@](C)(O)Cc1nc2ccccc2n1CC ZINC000094173263 184759069 /nfs/dbraw/zinc/75/90/69/184759069.db2.gz FEYNASCVEUWQNA-MRXNPFEDSA-N 1 0 275.396 2.349 10 0 CEAERO C[NH2+][C@@H](Cc1nc2ccccc2n1C)[C@@H]1CCCOC1 ZINC000094171635 184759131 /nfs/dbraw/zinc/75/91/31/184759131.db2.gz QBVLHCCXLGDMBK-OCCSQVGLSA-N 1 0 273.380 2.130 10 0 CEAERO C[C@@H]1OCC[C@H]1C(=O)N1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000094175211 184759519 /nfs/dbraw/zinc/75/95/19/184759519.db2.gz BRKVOIHQBAPPMW-NUEKZKHPSA-N 1 0 294.439 2.182 10 0 CEAERO C[NH2+]C1CCC(NC(=O)c2ccc(F)c(F)c2F)CC1 ZINC000094183915 184760055 /nfs/dbraw/zinc/76/00/55/184760055.db2.gz JIYVKNVOFODWJY-UHFFFAOYSA-N 1 0 286.297 2.364 10 0 CEAERO CC[C@@]1(C)CN(c2ccn(C)n2)[C@H](C(C)C)C[NH2+]1 ZINC000094198012 184762348 /nfs/dbraw/zinc/76/23/48/184762348.db2.gz PJCIUSPZVXYOPO-JSGCOSHPSA-N 1 0 250.390 2.023 10 0 CEAERO CC(C)CCNC(=O)COc1ccc(C[NH2+]C(C)C)nc1 ZINC000094210801 184763460 /nfs/dbraw/zinc/76/34/60/184763460.db2.gz SWRSSKPLVPEFJA-UHFFFAOYSA-N 1 0 293.411 2.121 10 0 CEAERO CCOC(=O)CCCCCOc1ccc(C[C@H](C)[NH3+])nc1 ZINC000094215807 184763640 /nfs/dbraw/zinc/76/36/40/184763640.db2.gz SLIDVAMMFFQLRE-ZDUSSCGKSA-N 1 0 294.395 2.474 10 0 CEAERO CC[C@](C)([NH3+])C(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000094235530 184767574 /nfs/dbraw/zinc/76/75/74/184767574.db2.gz HUXSNAYCFXSVMH-HIFRSBDPSA-N 1 0 296.798 2.367 10 0 CEAERO CCC([NH3+])(CC)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000094243592 184769518 /nfs/dbraw/zinc/76/95/18/184769518.db2.gz AWEQYWVFVPNFEB-UHFFFAOYSA-N 1 0 263.341 2.101 10 0 CEAERO CCC[NH2+][C@H]1[C@@H](Sc2n[nH]c(=O)n2CC)CCC1(C)C ZINC000094313454 184779619 /nfs/dbraw/zinc/77/96/19/184779619.db2.gz GVUNBXCIWYNVOE-QWRGUYRKSA-N 1 0 298.456 2.240 10 0 CEAERO CCC[NH2+]Cc1cc(F)c(OCC(=O)OCC)c(F)c1 ZINC000094347267 184786062 /nfs/dbraw/zinc/78/60/62/184786062.db2.gz OIBLOVPWFFWKRA-UHFFFAOYSA-N 1 0 287.306 2.406 10 0 CEAERO [NH3+]Cc1c(F)cccc1O[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000094361801 184789066 /nfs/dbraw/zinc/78/90/66/184789066.db2.gz MXSHUGRSQBDFRD-NHYWBVRUSA-N 1 0 281.327 2.001 10 0 CEAERO C[NH2+]C[C@H](C)O[C@@H]1CCOC2(CCSCC2)C1 ZINC000094380913 184791503 /nfs/dbraw/zinc/79/15/03/184791503.db2.gz CNDLYQXYARFBHX-NWDGAFQWSA-N 1 0 259.415 2.056 10 0 CEAERO CCCN(C1C[NH2+]C1)[C@H]1CCOC2(CCCC2)C1 ZINC000094384556 184791906 /nfs/dbraw/zinc/79/19/06/184791906.db2.gz LQIRKHYPLYTRHO-ZDUSSCGKSA-N 1 0 252.402 2.162 10 0 CEAERO C[NH2+][C@@H](Cc1ccncc1)[C@@H]1CCOC2(CCOCC2)C1 ZINC000094401877 184793186 /nfs/dbraw/zinc/79/31/86/184793186.db2.gz IXOBZIZJSIFLPJ-CVEARBPZSA-N 1 0 290.407 2.188 10 0 CEAERO OC[C@H]1CCC[N@@H+]([C@@H]2CCOC3(CCSCC3)C2)C1 ZINC000094410854 184794273 /nfs/dbraw/zinc/79/42/73/184794273.db2.gz VTSOXTQLYYEJKI-UONOGXRCSA-N 1 0 285.453 2.136 10 0 CEAERO CCCC1(O)C[NH+]([C@H]2CCOC3(CCCC3)C2)C1 ZINC000094411131 184794531 /nfs/dbraw/zinc/79/45/31/184794531.db2.gz ZWAAVLKAMGJALM-ZDUSSCGKSA-N 1 0 253.386 2.325 10 0 CEAERO CCCC1(O)C[NH+]([C@@H]2CCOC3(CCCC3)C2)C1 ZINC000094411130 184794591 /nfs/dbraw/zinc/79/45/91/184794591.db2.gz ZWAAVLKAMGJALM-CYBMUJFWSA-N 1 0 253.386 2.325 10 0 CEAERO CCC[NH2+]C[C@@](C)(O)[C@@H]1CCOC2(CCSCC2)C1 ZINC000094418847 184795018 /nfs/dbraw/zinc/79/50/18/184795018.db2.gz CEHNZOGXNBZQGA-ZIAGYGMSSA-N 1 0 287.469 2.429 10 0 CEAERO [NH3+][C@H]1Cc2ccccc2[C@@H]1Nc1ccc2nccnc2n1 ZINC000094727542 184848455 /nfs/dbraw/zinc/84/84/55/184848455.db2.gz ZPOGXKXLFJIECC-WFASDCNBSA-N 1 0 277.331 2.061 10 0 CEAERO Cc1cc(C)n2c(nnc2[C@@H]2CCCCC[C@H]2[NH3+])n1 ZINC000094746719 184852535 /nfs/dbraw/zinc/85/25/35/184852535.db2.gz JTIXHKUXYJSNPX-VXGBXAGGSA-N 1 0 259.357 2.116 10 0 CEAERO Cc1ncc(CN(C)C(=O)[C@H]2CCCCC[C@@H]2[NH3+])s1 ZINC000094751580 184852912 /nfs/dbraw/zinc/85/29/12/184852912.db2.gz NAFIWLAEMZHAIZ-STQMWFEESA-N 1 0 281.425 2.318 10 0 CEAERO C[NH2+][C@@H](C)CCc1nc(-c2ccc(Cl)cn2)no1 ZINC000094845497 184879414 /nfs/dbraw/zinc/87/94/14/184879414.db2.gz XNJQEADCWNAAOM-QMMMGPOBSA-N 1 0 266.732 2.326 10 0 CEAERO CC[NH2+][C@H](C)c1cc(F)c(C)cc1N1CCNC(=O)CC1 ZINC000094766589 184856930 /nfs/dbraw/zinc/85/69/30/184856930.db2.gz ZCJUOXSWABOSIG-GFCCVEGCSA-N 1 0 293.386 2.131 10 0 CEAERO CC[NH2+][C@H](Cc1cc(C)nn1CC)[C@@]1(C)CCCO1 ZINC000094784195 184862864 /nfs/dbraw/zinc/86/28/64/184862864.db2.gz LDTLQBYQBLXONE-HUUCEWRRSA-N 1 0 265.401 2.301 10 0 CEAERO C[NH2+]CCCc1c(C)nc([C@]2(C)CCCO2)nc1C ZINC000094785718 184863592 /nfs/dbraw/zinc/86/35/92/184863592.db2.gz CFJSRATZQKCHMO-HNNXBMFYSA-N 1 0 263.385 2.271 10 0 CEAERO CC(C)(C)[NH2+]CCc1nnc([C@@]2(C)CCCO2)s1 ZINC000094793057 184865899 /nfs/dbraw/zinc/86/58/99/184865899.db2.gz XZFCVUGSTPAECH-CYBMUJFWSA-N 1 0 269.414 2.494 10 0 CEAERO CC(C)N1C(=[NH2+])NC[C@@]1(C)c1cc(F)cc(F)c1 ZINC000094831905 184877297 /nfs/dbraw/zinc/87/72/97/184877297.db2.gz IOLGJOKOHUPCLP-ZDUSSCGKSA-N 1 0 253.296 2.219 10 0 CEAERO C(c1nc([C@@H]2CSCCS2)no1)[C@@H]1CCC[NH2+]C1 ZINC000094496086 184810717 /nfs/dbraw/zinc/81/07/17/184810717.db2.gz YFWNZGYWHRUKBU-UWVGGRQHSA-N 1 0 285.438 2.133 10 0 CEAERO CC(C)[C@@H](CC[NH3+])CCc1nc([C@H]2CSCCO2)no1 ZINC000094502093 184811219 /nfs/dbraw/zinc/81/12/19/184811219.db2.gz CHIVHKBKOCRCRN-VXGBXAGGSA-N 1 0 299.440 2.428 10 0 CEAERO C[NH2+][C@@H](CCc1ccc2c(c1)CCO2)[C@H]1CSCCO1 ZINC000094502888 184811727 /nfs/dbraw/zinc/81/17/27/184811727.db2.gz HPKXNUNGQRQZNL-GOEBONIOSA-N 1 0 293.432 2.274 10 0 CEAERO CCC[NH2+][C@H](CC1CCOCC1)[C@H]1CSCCO1 ZINC000094504472 184811857 /nfs/dbraw/zinc/81/18/57/184811857.db2.gz CVBXMFHDPCSUAN-ZIAGYGMSSA-N 1 0 273.442 2.303 10 0 CEAERO C[C@]12CC3CC(CC(=O)NC4C[NH2+]C4)(C1)C[C@@](C)(C3)C2 ZINC000094546219 184815666 /nfs/dbraw/zinc/81/56/66/184815666.db2.gz SAKNDXCSYBDFBH-TWDRJXRQSA-N 1 0 276.424 2.461 10 0 CEAERO [NH3+]C[C@@H]1CC[C@H](C(=O)N(Cc2ccco2)C2CCCC2)O1 ZINC000094568195 184819389 /nfs/dbraw/zinc/81/93/89/184819389.db2.gz GGHKADJPDWITFC-DZGCQCFKSA-N 1 0 292.379 2.057 10 0 CEAERO C[C@@H](C[NH3+])[C@@H](O)c1cc(C(F)(F)F)ccc1F ZINC000094597555 184823505 /nfs/dbraw/zinc/82/35/05/184823505.db2.gz XBICKHNNLRGZTC-QUBYGPBYSA-N 1 0 251.223 2.473 10 0 CEAERO C[NH2+]C1CCC(N(C)c2nc3cc(C)ccn3n2)CC1 ZINC000094609186 184825877 /nfs/dbraw/zinc/82/58/77/184825877.db2.gz BNGODRBELOVODU-UHFFFAOYSA-N 1 0 273.384 2.005 10 0 CEAERO CCC[NH2+][C@](C)(C[C@H](C)Sc1ccncc1)C(N)=O ZINC000094615074 184826208 /nfs/dbraw/zinc/82/62/08/184826208.db2.gz SVVODDZSFPRKQC-SMDDNHRTSA-N 1 0 281.425 2.196 10 0 CEAERO CC1CCC([NH3+])([C@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000094640085 184832064 /nfs/dbraw/zinc/83/20/64/184832064.db2.gz ZCVPOCZUVGGZGL-YIFLHPOLSA-N 1 0 273.442 2.497 10 0 CEAERO CC(C)[C@H](C[NH3+])c1nc(-c2ccc(Cl)cn2)no1 ZINC000094842352 184878814 /nfs/dbraw/zinc/87/88/14/184878814.db2.gz VJKRXMXBJWWADC-VIFPVBQESA-N 1 0 266.732 2.483 10 0 CEAERO C[NH2+][C@H](C)c1ccc(O[C@@H](C)[C@@H](C)O)c(OC)c1 ZINC000094652840 184834659 /nfs/dbraw/zinc/83/46/59/184834659.db2.gz NJMPLQNDOVFABH-MXWKQRLJSA-N 1 0 253.342 2.124 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C2CC2)CN1Cc1cccc(O)c1 ZINC000094690349 184839703 /nfs/dbraw/zinc/83/97/03/184839703.db2.gz FCVFKSIIOBRBEH-GOEBONIOSA-N 1 0 260.381 2.355 10 0 CEAERO COc1cccc([C@@H](C)NC(=O)[C@H](C[NH3+])CC(C)C)c1 ZINC000094698185 184842666 /nfs/dbraw/zinc/84/26/66/184842666.db2.gz VKBZYFUQXJEDAB-OCCSQVGLSA-N 1 0 278.396 2.493 10 0 CEAERO C[NH2+][C@@H](Cc1nc(C)c(C)s1)C1CCOCC1 ZINC000094973581 184909168 /nfs/dbraw/zinc/90/91/68/184909168.db2.gz KVJYHZDUVWYLGV-LBPRGKRZSA-N 1 0 254.399 2.317 10 0 CEAERO CC[C@H](C)[C@@H]1C[NH2+]CCN1Cc1nc(C)cs1 ZINC000094979303 184910510 /nfs/dbraw/zinc/91/05/10/184910510.db2.gz OAPDOQYGMSYZFW-JQWIXIFHSA-N 1 0 253.415 2.271 10 0 CEAERO CCOc1ccc(N2CC[C@@H](C[NH2+]C3CC3)C2)cn1 ZINC000094989574 184911004 /nfs/dbraw/zinc/91/10/04/184911004.db2.gz WGXDSTKGUONOTK-LBPRGKRZSA-N 1 0 261.369 2.059 10 0 CEAERO CC[NH2+][C@H](C)c1ccnc(N(C)[C@@H](C)COC)c1 ZINC000094998870 184912298 /nfs/dbraw/zinc/91/22/98/184912298.db2.gz SZZYAIVNMKHWIL-NWDGAFQWSA-N 1 0 251.374 2.223 10 0 CEAERO COc1ncccc1COc1ccccc1CC[NH3+] ZINC000095009866 184914755 /nfs/dbraw/zinc/91/47/55/184914755.db2.gz HDKJGBFUZIDCEZ-UHFFFAOYSA-N 1 0 258.321 2.170 10 0 CEAERO Clc1ncc(COC[C@@H]2CCC[NH2+]2)c(Cl)n1 ZINC000095070213 184932406 /nfs/dbraw/zinc/93/24/06/184932406.db2.gz GVZRPGKARPHVLN-QMMMGPOBSA-N 1 0 262.140 2.052 10 0 CEAERO CO[C@@H]1CC[N@H+](C[C@@H](O)COCc2ccccc2)[C@H](C)C1 ZINC000281516287 195271672 /nfs/dbraw/zinc/27/16/72/195271672.db2.gz AJEIONLDRBBHKD-DJIMGWMZSA-N 1 0 293.407 2.063 10 0 CEAERO COc1ccc(F)c(NC(=O)[C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000094855676 184881405 /nfs/dbraw/zinc/88/14/05/184881405.db2.gz GUUWXTQLJOBKQA-NXEZZACHSA-N 1 0 266.316 2.161 10 0 CEAERO COc1ccc(F)c(N[C@]2(C[NH3+])CCCSC2)c1 ZINC000094857904 184882505 /nfs/dbraw/zinc/88/25/05/184882505.db2.gz HFIQXQFPEFKHHH-ZDUSSCGKSA-N 1 0 270.373 2.471 10 0 CEAERO Cc1ccsc1CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000094876363 184885460 /nfs/dbraw/zinc/88/54/60/184885460.db2.gz SZKUTSBKNKEDQD-LLVKDONJSA-N 1 0 252.383 2.062 10 0 CEAERO CCc1ccsc1CNC[C@@H](O)C[NH+](CC)CC ZINC000094880769 184886579 /nfs/dbraw/zinc/88/65/79/184886579.db2.gz IUPUAIILGHJXOZ-CYBMUJFWSA-N 1 0 270.442 2.103 10 0 CEAERO Cc1cc(CNC(=O)[C@@H]2CC[C@H](C)[NH2+]C2)cc(C)c1F ZINC000094894950 184889333 /nfs/dbraw/zinc/88/93/33/184889333.db2.gz XSGLKXXNOHMFML-GXTWGEPZSA-N 1 0 278.371 2.447 10 0 CEAERO Cc1ccc(C(=O)N[C@H](C[NH3+])Cc2ccccc2)c(F)c1 ZINC000094925428 184895625 /nfs/dbraw/zinc/89/56/25/184895625.db2.gz WEAWQIXIZGQXQS-AWEZNQCLSA-N 1 0 286.350 2.434 10 0 CEAERO C[C@@H](CCCO)NC(=O)CC[C@H](CC[NH3+])C(C)(C)C ZINC000094944211 184899292 /nfs/dbraw/zinc/89/92/92/184899292.db2.gz GZMCLLXYOYFOPX-QWHCGFSZSA-N 1 0 272.433 2.055 10 0 CEAERO CC[C@@H](CC[NH3+])CNc1ccnc(C(=O)N(CC)CC)c1 ZINC000094962586 184906236 /nfs/dbraw/zinc/90/62/36/184906236.db2.gz QKEWLUKITBYZDZ-ZDUSSCGKSA-N 1 0 292.427 2.351 10 0 CEAERO O[C@H]1CCCC[C@H]1[N@@H+]1CCOc2c(F)cccc2C1 ZINC000334640858 285363294 /nfs/dbraw/zinc/36/32/94/285363294.db2.gz KHZAVFPHUNFURX-KGLIPLIRSA-N 1 0 265.328 2.324 10 0 CEAERO C[C@H](CC[NH2+][C@H]1CCC(=O)N[C@@H]1C)c1ccccc1 ZINC000281818653 195394824 /nfs/dbraw/zinc/39/48/24/195394824.db2.gz QWGCUWFDGAMSBJ-NFAWXSAZSA-N 1 0 260.381 2.437 10 0 CEAERO C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000192083685 130367095 /nfs/dbraw/zinc/36/70/95/130367095.db2.gz VFMKWPIAIUZFCR-RVMXOQNASA-N 1 0 296.436 2.146 10 0 CEAERO Cc1cc(C(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)cc(Cl)n1 ZINC000228427196 130867588 /nfs/dbraw/zinc/86/75/88/130867588.db2.gz QUBUTRCYVMBOGI-CABZTGNLSA-N 1 0 281.787 2.066 10 0 CEAERO CC[C@H]([NH3+])CNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000251070789 131128563 /nfs/dbraw/zinc/12/85/63/131128563.db2.gz JPSLHKSCWFFJHT-ZNMIVQPWSA-N 1 0 276.380 2.008 10 0 CEAERO CCC[C@](C)([NH3+])C(=O)N[C@H](CCOC)c1ccc(C)o1 ZINC000262167523 131197004 /nfs/dbraw/zinc/19/70/04/131197004.db2.gz WLDXLQUGJQPUMP-DOMZBBRYSA-N 1 0 282.384 2.299 10 0 CEAERO CCc1ccc([C@@H](COC)NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)o1 ZINC000262360325 131214325 /nfs/dbraw/zinc/21/43/25/131214325.db2.gz IKOSTHAUPMZZFC-SGMGOOAPSA-N 1 0 294.395 2.034 10 0 CEAERO C[C@H]1C[C@@H](C(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)CC[NH2+]1 ZINC000262471863 131223594 /nfs/dbraw/zinc/22/35/94/131223594.db2.gz WYKUZPPNVLXZQO-UUAYOZFRSA-N 1 0 284.403 2.077 10 0 CEAERO CCCC[C@H]([NH3+])C(=O)N1CCCc2cc(OC)ccc21 ZINC000040833539 134871750 /nfs/dbraw/zinc/87/17/50/134871750.db2.gz MVZUCQNISYRQSB-AWEZNQCLSA-N 1 0 276.380 2.492 10 0 CEAERO [NH3+]Cc1ccc(N2CCCNC2=O)c(C(F)(F)F)c1 ZINC000043323284 134899886 /nfs/dbraw/zinc/89/98/86/134899886.db2.gz GFFYPQILXLPXJG-UHFFFAOYSA-N 1 0 273.258 2.084 10 0 CEAERO CCN(CC)c1ccc(N2CCC[C@@H]([NH2+]C)C2=O)cc1 ZINC000071031304 134954742 /nfs/dbraw/zinc/95/47/42/134954742.db2.gz XBVCWWDUUHFKPA-OAHLLOKOSA-N 1 0 275.396 2.248 10 0 CEAERO COc1cc(F)ccc1N1CC[NH2+]C[C@H]1C(C)C ZINC000083393384 135018042 /nfs/dbraw/zinc/01/80/42/135018042.db2.gz IRCNLTAICBFJOV-ZDUSSCGKSA-N 1 0 252.333 2.269 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C)CN1c1cc(OC)ccc1OC ZINC000083479460 135023897 /nfs/dbraw/zinc/02/38/97/135023897.db2.gz BLCZAIXOOVHKHA-RYUDHWBXSA-N 1 0 264.369 2.281 10 0 CEAERO [NH3+][C@@H]1CCCN(c2c(Cl)cccc2Cl)C1=O ZINC000083848969 135031360 /nfs/dbraw/zinc/03/13/60/135031360.db2.gz DFKLJVHUSWAYCC-SECBINFHSA-N 1 0 259.136 2.448 10 0 CEAERO Cc1ccc2c(c1)CCCN2CCC[C@](C)([NH3+])CO ZINC000085216370 135035649 /nfs/dbraw/zinc/03/56/49/135035649.db2.gz GCGOUNDEHSZOPP-INIZCTEOSA-N 1 0 262.397 2.238 10 0 CEAERO Cc1ccc2c(c1)CCCN2[C@@H](C)C[C@](C)([NH3+])CO ZINC000085216403 135035692 /nfs/dbraw/zinc/03/56/92/135035692.db2.gz CCMIFSVZAMFLCF-BBRMVZONSA-N 1 0 262.397 2.236 10 0 CEAERO COc1cc(OC)cc(N2CC[NH2+][C@](C)(C3CC3)C2)c1 ZINC000086122996 135038565 /nfs/dbraw/zinc/03/85/65/135038565.db2.gz SAGKMTKGONPZPH-INIZCTEOSA-N 1 0 276.380 2.282 10 0 CEAERO Fc1cc(N2CC[NH2+][C@@H](C3CC3)C2)cc(F)c1F ZINC000086147927 135039330 /nfs/dbraw/zinc/03/93/30/135039330.db2.gz XZBXPNYVRYAFCN-GFCCVEGCSA-N 1 0 256.271 2.292 10 0 CEAERO COc1cc(OC)cc(N2C[C@@H](C3CC3)[NH2+]C[C@@H]2C)c1 ZINC000086179214 135039725 /nfs/dbraw/zinc/03/97/25/135039725.db2.gz MHKGTTXHDQULPZ-ZBEGNZNMSA-N 1 0 276.380 2.281 10 0 CEAERO Cc1cc(Br)cnc1N1CCCC[C@H]1C[NH3+] ZINC000086708429 135048380 /nfs/dbraw/zinc/04/83/80/135048380.db2.gz MTTPWQOQJPRLAH-NSHDSACASA-N 1 0 284.201 2.470 10 0 CEAERO C[C@@H]([NH3+])CCC[C@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000087683749 135050767 /nfs/dbraw/zinc/05/07/67/135050767.db2.gz PCRHNFJAZIZVCG-NWDGAFQWSA-N 1 0 289.379 2.125 10 0 CEAERO c1cc(N2CCC[C@H]3CCC[C@@H]32)nnc1C[NH2+]C1CC1 ZINC000087783582 135051467 /nfs/dbraw/zinc/05/14/67/135051467.db2.gz WQYLTILPMMFIPD-DOMZBBRYSA-N 1 0 272.396 2.498 10 0 CEAERO Cc1nc(N2CCCCC2)nc(C)c1C[C@H](C)C[NH3+] ZINC000087706865 135051567 /nfs/dbraw/zinc/05/15/67/135051567.db2.gz RHEPAFNFGANXGQ-NSHDSACASA-N 1 0 262.401 2.221 10 0 CEAERO C[C@@H]1CC[C@H](C)CN1c1nc(NN)[nH+]cc1Cl ZINC000087889665 135052137 /nfs/dbraw/zinc/05/21/37/135052137.db2.gz KIZLWQSEQHOCLT-JGVFFNPUSA-N 1 0 255.753 2.040 10 0 CEAERO Cc1ccc(C(N)=O)c(N2CC[NH2+]CC23CCCCC3)c1 ZINC000088396703 135054236 /nfs/dbraw/zinc/05/42/36/135054236.db2.gz GUTABQHKHXQUQF-UHFFFAOYSA-N 1 0 287.407 2.206 10 0 CEAERO CC[NH2+]C[C@H]1CCCCN1c1cc(CC)nc(C)n1 ZINC000088760873 135057217 /nfs/dbraw/zinc/05/72/17/135057217.db2.gz JNJDHNAKQGEKJT-CQSZACIVSA-N 1 0 262.401 2.316 10 0 CEAERO CC[NH2+]C[C@@H](C)S(=O)(=O)N1c2ccccc2CC[C@@H]1C ZINC000088914935 135057646 /nfs/dbraw/zinc/05/76/46/135057646.db2.gz BRKVEFLAEAPNPL-QWHCGFSZSA-N 1 0 296.436 2.156 10 0 CEAERO CCC[NH2+]C[C@@H](C)S(=O)(=O)N1CCCc2ccccc21 ZINC000088925070 135057735 /nfs/dbraw/zinc/05/77/35/135057735.db2.gz QNSAFFZLLRWLQD-CYBMUJFWSA-N 1 0 296.436 2.157 10 0 CEAERO C[C@H]1CCc2ccccc2N1C(=O)C[C@H]1CC[NH2+]C1 ZINC000089717474 135060161 /nfs/dbraw/zinc/06/01/61/135060161.db2.gz TUSIBJZGNCNHKM-QWHCGFSZSA-N 1 0 258.365 2.354 10 0 CEAERO C[C@@H](CC1CC1)[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000089733507 135060520 /nfs/dbraw/zinc/06/05/20/135060520.db2.gz FMNMOYRETASNTO-GXTWGEPZSA-N 1 0 260.385 2.224 10 0 CEAERO Cc1cccc2c1N(C(=O)C[C@@H]1CC[NH2+]C1)CCC2 ZINC000089747042 135060527 /nfs/dbraw/zinc/06/05/27/135060527.db2.gz RYXRNBCVCYQMLI-ZDUSSCGKSA-N 1 0 258.365 2.274 10 0 CEAERO CC[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)C(C)C ZINC000089733160 135060587 /nfs/dbraw/zinc/06/05/87/135060587.db2.gz GTGZIPYCKNVCLO-UONOGXRCSA-N 1 0 262.401 2.470 10 0 CEAERO C[C@@H](C[NH3+])SCC(=O)N1CCSc2ccccc21 ZINC000090342519 135062826 /nfs/dbraw/zinc/06/28/26/135062826.db2.gz KDUJTAXWGVLGFN-JTQLQIEISA-N 1 0 282.434 2.206 10 0 CEAERO C[C@H](C[NH3+])CSCC(=O)N1CCSc2ccccc21 ZINC000090351095 135062946 /nfs/dbraw/zinc/06/29/46/135062946.db2.gz VCYTYCYDNIGERU-LLVKDONJSA-N 1 0 296.461 2.453 10 0 CEAERO CCOc1cc(N2CCC[C@H](C[NH2+]C(C)(C)C)C2)ncn1 ZINC000090784629 135064660 /nfs/dbraw/zinc/06/46/60/135064660.db2.gz MLWFVXIHLLJMIJ-CYBMUJFWSA-N 1 0 292.427 2.480 10 0 CEAERO CCCOc1cc(N2CCCC[C@@H]2C[NH2+]CC)ncn1 ZINC000090785458 135064961 /nfs/dbraw/zinc/06/49/61/135064961.db2.gz SNJVKFOJPCEVTB-CYBMUJFWSA-N 1 0 278.400 2.234 10 0 CEAERO CCOc1cc(N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)nc(C)n1 ZINC000090787864 135065617 /nfs/dbraw/zinc/06/56/17/135065617.db2.gz LUMZEVJQMFUQDY-KBPBESRZSA-N 1 0 290.411 2.295 10 0 CEAERO C[NH+](C)[C@H]1CCCN(c2ccc(Cl)cc2N)C1 ZINC000091392291 135068361 /nfs/dbraw/zinc/06/83/61/135068361.db2.gz YZWPPIDXZCBYIK-NSHDSACASA-N 1 0 253.777 2.453 10 0 CEAERO C[NH+](C)[C@H]1CCCN(c2nc(CO)cc3ccccc32)C1 ZINC000091392975 135068427 /nfs/dbraw/zinc/06/84/27/135068427.db2.gz PXORZUJUADNPOR-HNNXBMFYSA-N 1 0 285.391 2.258 10 0 CEAERO C[NH2+]Cc1cncc(N2CCC(C(C)(C)C)CC2)n1 ZINC000091418163 135069480 /nfs/dbraw/zinc/06/94/80/135069480.db2.gz NOIDWINGHDDTRJ-UHFFFAOYSA-N 1 0 262.401 2.459 10 0 CEAERO CC[NH2+][C@@H]1CCCN(c2cc(C)cc(F)c2)C1=O ZINC000091527219 135070943 /nfs/dbraw/zinc/07/09/43/135070943.db2.gz DODHZSUJWGZAAR-CYBMUJFWSA-N 1 0 250.317 2.239 10 0 CEAERO Cc1cnc(Cl)nc1N1CCC(C[NH+](C)C)CC1 ZINC000091658606 135072896 /nfs/dbraw/zinc/07/28/96/135072896.db2.gz MHLMCHOUSCKLIZ-UHFFFAOYSA-N 1 0 268.792 2.216 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)N2CCSc3ccccc32)C1 ZINC000092206733 135075880 /nfs/dbraw/zinc/07/58/80/135075880.db2.gz WJFFJIOGEXHNGO-WDEREUQCSA-N 1 0 260.362 2.029 10 0 CEAERO C[NH2+]C[C@@H](C)[C@H](C)N1CCN(c2ccccc2F)CC1 ZINC000093068233 135078959 /nfs/dbraw/zinc/07/89/59/135078959.db2.gz SRKDKXJZAJULRI-KGLIPLIRSA-N 1 0 279.403 2.192 10 0 CEAERO Cc1c([C@H](C[NH3+])N2CCCc3ccccc32)cnn1C ZINC000093650442 135081776 /nfs/dbraw/zinc/08/17/76/135081776.db2.gz CSXKMOZPMMVOOU-INIZCTEOSA-N 1 0 270.380 2.181 10 0 CEAERO CN(C)c1ccc(N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000094432124 135087115 /nfs/dbraw/zinc/08/71/15/135087115.db2.gz VWVJKYABYZSHMN-MRXNPFEDSA-N 1 0 259.397 2.427 10 0 CEAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ccc(Cl)c(CO)n1 ZINC000094440237 135088037 /nfs/dbraw/zinc/08/80/37/135088037.db2.gz XUYYTABMAXJQEV-VXGBXAGGSA-N 1 0 295.814 2.290 10 0 CEAERO NC(=O)[C@@H]1C[N@H+](C/C=C\c2ccccc2)C[C@H]1C(F)(F)F ZINC000420963142 394457389 /nfs/dbraw/zinc/45/73/89/394457389.db2.gz MOUFWLFWQVWQCP-PWNWJAOYSA-N 1 0 298.308 2.295 10 0 CEAERO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCC[C@@H]3CCC[C@H]32)C1 ZINC000228006801 394474507 /nfs/dbraw/zinc/47/45/07/394474507.db2.gz JVPIDZDBIMTCNT-IGQOVBAYSA-N 1 0 250.386 2.295 10 0 CEAERO CC(C)c1nccnc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000413059721 394476845 /nfs/dbraw/zinc/47/68/45/394476845.db2.gz GQQYBWLMJTWQKD-QWHCGFSZSA-N 1 0 260.385 2.061 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc2ccccn2c1 ZINC000245462193 394499917 /nfs/dbraw/zinc/49/99/17/394499917.db2.gz NRSBOSAYGVLYSD-CJNGLKHVSA-N 1 0 283.375 2.248 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1nc(C)sc1C ZINC000246498836 394516586 /nfs/dbraw/zinc/51/65/86/394516586.db2.gz BAGGJMKKFFTYSD-OLZOCXBDSA-N 1 0 293.436 2.459 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccccc2C)C1 ZINC000052500675 394557913 /nfs/dbraw/zinc/55/79/13/394557913.db2.gz PBWMCKGGHLWMQO-OAHLLOKOSA-N 1 0 275.396 2.279 10 0 CEAERO [NH3+][C@H]1CC[C@H](Nc2nc(Br)cs2)C1 ZINC000306770971 394518112 /nfs/dbraw/zinc/51/81/12/394518112.db2.gz QYIDFESLACPCHG-WDSKDSINSA-N 1 0 262.176 2.197 10 0 CEAERO C[C@H]1CN(Cc2ccccc2)CCN1[C@@H]1CCCC1=O ZINC000306789647 394518128 /nfs/dbraw/zinc/51/81/28/394518128.db2.gz UCWQXVFXCCHQGS-GOEBONIOSA-N 1 0 272.392 2.314 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCCC[C@H]2C)C1 ZINC000246835394 394522515 /nfs/dbraw/zinc/52/25/15/394522515.db2.gz DXSWKKUAFRZSJG-MCIONIFRSA-N 1 0 267.417 2.299 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CCCc2cccnc21 ZINC000248844524 394548158 /nfs/dbraw/zinc/54/81/58/394548158.db2.gz SPTRJLGTLMEBBW-VNQPRFMTSA-N 1 0 299.418 2.197 10 0 CEAERO CCC(=O)CC[N@@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC ZINC000249025161 394550946 /nfs/dbraw/zinc/55/09/46/394550946.db2.gz LIRZJYRVEVNCOO-YUTCNCBUSA-N 1 0 267.369 2.162 10 0 CEAERO O=C(NC[C@@H]1CC[NH2+]C1)Nc1ccc(Br)cc1 ZINC000258197288 394597675 /nfs/dbraw/zinc/59/76/75/394597675.db2.gz PKNYVFKMCTUPRE-SECBINFHSA-N 1 0 298.184 2.180 10 0 CEAERO FC(F)(F)c1cc(N2CC[C@]3(CC[NH2+]C3)C2)ccn1 ZINC000261592643 394603439 /nfs/dbraw/zinc/60/34/39/394603439.db2.gz MMIYONXOBIMCRS-LBPRGKRZSA-N 1 0 271.286 2.290 10 0 CEAERO C[C@H]1CCC[C@](CNc2cn[nH]c(=O)c2Cl)([NH+](C)C)C1 ZINC000108643672 394733258 /nfs/dbraw/zinc/73/32/58/394733258.db2.gz BCKCVXZBZWPYTO-HZMBPMFUSA-N 1 0 298.818 2.346 10 0 CEAERO CC1(C)CC(NC(=O)C2(C[NH3+])CCOCC2)CC(C)(C)C1 ZINC000130844445 394898256 /nfs/dbraw/zinc/89/82/56/394898256.db2.gz ADGYECJBZARLSM-UHFFFAOYSA-N 1 0 296.455 2.463 10 0 CEAERO O=C(NC1CCCCC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000132264816 394927183 /nfs/dbraw/zinc/92/71/83/394927183.db2.gz RKOWOSQEQSAABG-AWEZNQCLSA-N 1 0 265.401 2.199 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC1(C2CC2)CC1 ZINC000152287224 394992262 /nfs/dbraw/zinc/99/22/62/394992262.db2.gz RJOWNBNTGHZOIH-HUUCEWRRSA-N 1 0 291.439 2.445 10 0 CEAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CC1(C(N)=O)CCOCC1 ZINC000153180211 395001074 /nfs/dbraw/zinc/00/10/74/395001074.db2.gz HKPPTAXPGWLRFT-ZIAGYGMSSA-N 1 0 296.455 2.463 10 0 CEAERO FC(F)(F)c1cccc(N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000171939146 395099483 /nfs/dbraw/zinc/09/94/83/395099483.db2.gz MGKSIUFPPUOVNP-SNVBAGLBSA-N 1 0 271.286 2.385 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000378894439 395160477 /nfs/dbraw/zinc/16/04/77/395160477.db2.gz ATWKRZBJCXEZQD-HOCLYGCPSA-N 1 0 298.390 2.245 10 0 CEAERO CC[NH2+][C@H](CCO)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095091373 285623118 /nfs/dbraw/zinc/62/31/18/285623118.db2.gz SYFRKNYYYOJHER-OLZOCXBDSA-N 1 0 286.416 2.137 10 0 CEAERO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000183007152 395251607 /nfs/dbraw/zinc/25/16/07/395251607.db2.gz NSIKXOVSACLYKP-OAGGEKHMSA-N 1 0 266.429 2.219 10 0 CEAERO CCC[C@H](C(=O)NC[C@](C)(O)C1CCCCC1)[NH+](C)C ZINC000190498136 395340055 /nfs/dbraw/zinc/34/00/55/395340055.db2.gz BLFGMYVCQSFFEJ-ZBFHGGJFSA-N 1 0 284.444 2.164 10 0 CEAERO CC[C@](C)(O)C[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC000435908550 395396926 /nfs/dbraw/zinc/39/69/26/395396926.db2.gz PFBVLEFHYYWBGK-VOCYLRNQSA-N 1 0 288.435 2.478 10 0 CEAERO O=C(c1cccc2ncccc21)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195325955 395464449 /nfs/dbraw/zinc/46/44/49/395464449.db2.gz KNDVYYITAKWWBS-ZDUSSCGKSA-N 1 0 281.359 2.155 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)CCOc1cccc(Cl)c1 ZINC000193580335 395412176 /nfs/dbraw/zinc/41/21/76/395412176.db2.gz SBBAOXVRXRCECM-BXUZGUMPSA-N 1 0 296.798 2.366 10 0 CEAERO C[C@@H](CC[NH2+]C[C@H](C)N1CCOCC1)c1ccccc1 ZINC000194192896 395427728 /nfs/dbraw/zinc/42/77/28/395427728.db2.gz VKYJBEVFQRJDED-HOTGVXAUSA-N 1 0 276.424 2.491 10 0 CEAERO NC(=[NH2+])c1nccc2cc(Br)ccc21 ZINC000575436413 395664259 /nfs/dbraw/zinc/66/42/59/395664259.db2.gz IGRWTTXNUWIXIW-UHFFFAOYSA-N 1 0 250.099 2.281 10 0 CEAERO CN1CC[C@@H]([NH3+])[C@@H]1c1ccsc1Br ZINC000575470011 395664496 /nfs/dbraw/zinc/66/44/96/395664496.db2.gz QWWLRIFZHMYJGE-SFYZADRCSA-N 1 0 261.188 2.215 10 0 CEAERO CCC[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000648094221 395835176 /nfs/dbraw/zinc/83/51/76/395835176.db2.gz LNXFYWYMQKMCPJ-MCIONIFRSA-N 1 0 252.402 2.400 10 0 CEAERO [NH3+]C1CCC(C(=O)N2CCC[C@@H]2c2cccnc2)CC1 ZINC000037626370 400117535 /nfs/dbraw/zinc/11/75/35/400117535.db2.gz NMFLBFQNRSJWLQ-PESDSKBTSA-N 1 0 273.380 2.263 10 0 CEAERO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]CC[C@@H]2CCCO2)c1 ZINC000038096656 400124728 /nfs/dbraw/zinc/12/47/28/400124728.db2.gz VKUQCLLWUPNSMN-HOTGVXAUSA-N 1 0 293.407 2.202 10 0 CEAERO C[C@@H](NC(=O)C[C@H]1CCC[NH2+]1)c1cc(F)ccc1F ZINC000042166509 400131226 /nfs/dbraw/zinc/13/12/26/400131226.db2.gz GCSNDKTYBYJXHE-MWLCHTKSSA-N 1 0 268.307 2.284 10 0 CEAERO C[C@@H]1CCC[C@H](NC(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000300562225 400329450 /nfs/dbraw/zinc/32/94/50/400329450.db2.gz CMJXELLFAHXPBF-MQYQWHSLSA-N 1 0 252.402 2.446 10 0 CEAERO CC[C@@H](NC(N)=[NH2+])c1ccc(Br)s1 ZINC000306863879 400337165 /nfs/dbraw/zinc/33/71/65/400337165.db2.gz KNAYYOTYGZARDM-RXMQYKEDSA-N 1 0 262.176 2.445 10 0 CEAERO C[C@@H](NC(=O)[C@H]([NH3+])CC(F)F)c1cc(F)ccc1F ZINC000388457083 400532760 /nfs/dbraw/zinc/53/27/60/400532760.db2.gz ZVUCIFHTAPSVLX-LHLIQPBNSA-N 1 0 278.249 2.125 10 0 CEAERO Cc1cc(C(C)C)nc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)n1 ZINC000389399353 400537996 /nfs/dbraw/zinc/53/79/96/400537996.db2.gz IKCZMEMBKAWMEG-OLZOCXBDSA-N 1 0 260.385 2.097 10 0 CEAERO C[C@@H](COCc1ccccc1)[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000390634312 400540822 /nfs/dbraw/zinc/54/08/22/400540822.db2.gz CHZYGHDLQRZTSO-WCQYABFASA-N 1 0 291.313 2.495 10 0 CEAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@@H]1CCOc2ccccc21 ZINC000394952642 400554304 /nfs/dbraw/zinc/55/43/04/400554304.db2.gz JAHKNYFDNWQUBB-IPYPFGDCSA-N 1 0 261.365 2.398 10 0 CEAERO CCOC(=O)[C@H](C[NH2+]Cc1ccccc1)SC ZINC000584642101 400613259 /nfs/dbraw/zinc/61/32/59/400613259.db2.gz DSTAFOLCXPUOQK-LBPRGKRZSA-N 1 0 253.367 2.071 10 0 CEAERO CC[NH+](CC)CCCN1CCC[C@H](Cc2noc(C)n2)C1 ZINC000191479028 153177890 /nfs/dbraw/zinc/17/78/90/153177890.db2.gz VIMIKLKYKMWFDA-OAHLLOKOSA-N 1 0 294.443 2.364 10 0 CEAERO c1[nH]nc2c1C[C@H]([NH2+]CCCc1ccc3c(c1)CCO3)CC2 ZINC000193297604 153232013 /nfs/dbraw/zinc/23/20/13/153232013.db2.gz MGTJBYNFPWPFNW-MRXNPFEDSA-N 1 0 297.402 2.424 10 0 CEAERO CCCCOC[C@H](O)CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000195178406 153278420 /nfs/dbraw/zinc/27/84/20/153278420.db2.gz RPNNFFRUTZSZSI-QGZVFWFLSA-N 1 0 298.471 2.114 10 0 CEAERO C[C@H]1C[C@@H](C[NH3+])CN1c1ccc(Br)cn1 ZINC000216179173 153292244 /nfs/dbraw/zinc/29/22/44/153292244.db2.gz XZRQVRVQTOWXRA-IUCAKERBSA-N 1 0 270.174 2.018 10 0 CEAERO C[C@H]1C[C@H](C[NH3+])CN1c1nc(C(C)(C)C)ns1 ZINC000216212179 153295948 /nfs/dbraw/zinc/29/59/48/153295948.db2.gz KJXAJACXQJUVSS-DTWKUNHWSA-N 1 0 254.403 2.009 10 0 CEAERO Cc1nc(C)c(C[NH2+][C@H]2CCCC[C@@H]2CO)s1 ZINC000219001255 153301790 /nfs/dbraw/zinc/30/17/90/153301790.db2.gz ZUZZDKOAZLPXGV-NEPJUHHUSA-N 1 0 254.399 2.401 10 0 CEAERO COc1ccc(C[N@@H+]2CC[C@H](CCO)C2)cc1F ZINC000227567736 153347351 /nfs/dbraw/zinc/34/73/51/153347351.db2.gz BCFFXMHCHQIDFR-LLVKDONJSA-N 1 0 253.317 2.039 10 0 CEAERO Cc1cnc([C@@H](C)N[C@@H](C)C(=O)NC2CCCC2)o1 ZINC000230643385 153393827 /nfs/dbraw/zinc/39/38/27/153393827.db2.gz YCTIEBFSJDPNMG-WDEREUQCSA-N 1 0 265.357 2.081 10 0 CEAERO CCCn1nccc1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246292895 153542348 /nfs/dbraw/zinc/54/23/48/153542348.db2.gz URAFMDGFUVQJPL-OLZOCXBDSA-N 1 0 293.415 2.143 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]CCN(C)[C@@H](C)CC)C12CCOCC2 ZINC000249031058 286386126 /nfs/dbraw/zinc/38/61/26/286386126.db2.gz SLZBXNYFYQNUDG-HRCADAONSA-N 1 0 298.471 2.281 10 0 CEAERO CO[C@H](C)c1nsc(NC[C@@H]2[NH2+]CCCC2(C)C)n1 ZINC000261572748 153768553 /nfs/dbraw/zinc/76/85/53/153768553.db2.gz USPVAMVMIOBXIK-ZJUUUORDSA-N 1 0 284.429 2.436 10 0 CEAERO CCCN(c1nc(CC)cc(CC)n1)[C@@H]1CC[NH2+]C1 ZINC000261577248 153773490 /nfs/dbraw/zinc/77/34/90/153773490.db2.gz CRECYXRCDZZQQD-CQSZACIVSA-N 1 0 262.401 2.180 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1cc(F)c(Cl)cc1F ZINC000261593482 153781543 /nfs/dbraw/zinc/78/15/43/153781543.db2.gz ZEBSWZPCXYBUQP-UPONEAKYSA-N 1 0 274.698 2.180 10 0 CEAERO CC[C@H](C)c1ccc(S(=O)(=O)N2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000261646458 153799264 /nfs/dbraw/zinc/79/92/64/153799264.db2.gz ODTHHHPOPDFGFP-SLEUVZQESA-N 1 0 296.436 2.168 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)c1nc(-c2ccco2)sc1C ZINC000261719101 153821462 /nfs/dbraw/zinc/82/14/62/153821462.db2.gz KPJRSSAALXBDIY-MRVPVSSYSA-N 1 0 279.365 2.049 10 0 CEAERO CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NC[C@@H](C)[NH2+]C ZINC000261794333 153845036 /nfs/dbraw/zinc/84/50/36/153845036.db2.gz RDSSZVQOBWBXAZ-DGAVXFQQSA-N 1 0 270.417 2.084 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 ZINC000261834733 153854028 /nfs/dbraw/zinc/85/40/28/153854028.db2.gz VSHZSZOYEQUBLP-QWRGUYRKSA-N 1 0 284.787 2.140 10 0 CEAERO Cc1ccc(Cl)cc1N1CCN(C(=O)C[C@H](C)[NH3+])CC1 ZINC000261900863 153871394 /nfs/dbraw/zinc/87/13/94/153871394.db2.gz UZBTZFBDFSKZOA-LBPRGKRZSA-N 1 0 295.814 2.034 10 0 CEAERO c1ccn2c(c1)nnc2CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000262305744 153937654 /nfs/dbraw/zinc/93/76/54/153937654.db2.gz PDLMZVGXEJNTHV-RBSFLKMASA-N 1 0 299.422 2.130 10 0 CEAERO COc1ccc(-c2ccnc(N3CCC[C@H](C[NH3+])C3)n2)cc1 ZINC000262521254 153955989 /nfs/dbraw/zinc/95/59/89/153955989.db2.gz ODKQECCEECFXCH-CYBMUJFWSA-N 1 0 298.390 2.327 10 0 CEAERO CCCC[C@H](C)[NH2+]C1CC([N@H+](CC)CC(=O)[O-])C1 ZINC000263516366 154111947 /nfs/dbraw/zinc/11/19/47/154111947.db2.gz OVFFWNURKLHYQM-HIFPTAJRSA-N 1 0 256.390 2.092 10 0 CEAERO CCO[C@H]1C[C@@H]([NH3+])C12CCN(C(=O)OC(C)(C)C)CC2 ZINC000071373437 286472456 /nfs/dbraw/zinc/47/24/56/286472456.db2.gz PFTNAMMYIVNWTD-NEPJUHHUSA-N 1 0 284.400 2.140 10 0 CEAERO CCS(=O)(=O)c1ccccc1N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261825508 286696274 /nfs/dbraw/zinc/69/62/74/286696274.db2.gz UFMDFFZNXWUPPJ-CQSZACIVSA-N 1 0 296.436 2.044 10 0 CEAERO C[C@H](C[NH3+])Nc1ncc(Cl)cc1Br ZINC000159665793 162310056 /nfs/dbraw/zinc/31/00/56/162310056.db2.gz NTCPJAMFEPDVKL-RXMQYKEDSA-N 1 0 264.554 2.257 10 0 CEAERO CC(C)c1csc(NC(=O)[C@@H](C)C2C[NH2+]C2)n1 ZINC000164452156 162334394 /nfs/dbraw/zinc/33/43/94/162334394.db2.gz DLSQYQCTQFDGJB-QMMMGPOBSA-N 1 0 253.371 2.061 10 0 CEAERO CC(C)(C)C1CCC(CN2CCO[C@@H](C[NH3+])C2)CC1 ZINC000164656706 162336953 /nfs/dbraw/zinc/33/69/53/162336953.db2.gz XZTDSEAXOOCDCK-NRXISQOPSA-N 1 0 268.445 2.498 10 0 CEAERO CO[C@@H]1CCN(C(=O)Nc2ccc(Cl)cc2)[C@@H](C[NH3+])C1 ZINC000167286940 162357712 /nfs/dbraw/zinc/35/77/12/162357712.db2.gz JQBWEFGCBJDQOV-CHWSQXEVSA-N 1 0 297.786 2.310 10 0 CEAERO CCCN(c1ccc(C(F)(F)F)nn1)[C@H]1CC[NH2+]C1 ZINC000167114754 162357834 /nfs/dbraw/zinc/35/78/34/162357834.db2.gz ODCJVQWWZXVUTL-VIFPVBQESA-N 1 0 274.290 2.074 10 0 CEAERO CCCN(C(=O)N[C@@H]1CCC[N@H+](CC)C1)C1CC1 ZINC000171430595 162384856 /nfs/dbraw/zinc/38/48/56/162384856.db2.gz WSIQBFKXVMPOEL-GFCCVEGCSA-N 1 0 253.390 2.055 10 0 CEAERO O=C(NCc1ccc(OCc2ccccc2)cc1)C1C[NH2+]C1 ZINC000261533487 162540641 /nfs/dbraw/zinc/54/06/41/162540641.db2.gz BCVKBAUYJVTAET-UHFFFAOYSA-N 1 0 296.370 2.101 10 0 CEAERO COc1ccccc1/C=C/CN1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000262115808 162552806 /nfs/dbraw/zinc/55/28/06/162552806.db2.gz WXHUHMASQSJSQY-RNUUNTDPSA-N 1 0 260.381 2.391 10 0 CEAERO CCn1c(C)nnc1CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000170784607 165044145 /nfs/dbraw/zinc/04/41/45/165044145.db2.gz BTQAKOVWXBIVCD-OAHLLOKOSA-N 1 0 291.443 2.057 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCSC ZINC000175029290 165123205 /nfs/dbraw/zinc/12/32/05/165123205.db2.gz ATPBDALGXGOHOB-CHWSQXEVSA-N 1 0 270.442 2.215 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCOC1CCCC1 ZINC000177485072 165201185 /nfs/dbraw/zinc/20/11/85/165201185.db2.gz JFICSOUUWMWCCP-AWEZNQCLSA-N 1 0 297.443 2.071 10 0 CEAERO CC(C)N(C(=O)[C@H](C)N1CC[N@@H+]2CCCC[C@@H]2C1)C(C)C ZINC000177758519 165207315 /nfs/dbraw/zinc/20/73/15/165207315.db2.gz BCEYQQIGPOGKAX-JKSUJKDBSA-N 1 0 295.471 2.190 10 0 CEAERO CCn1c(C)nnc1CN1CC[N@H+](C)CC12CCCCC2 ZINC000178403493 165239044 /nfs/dbraw/zinc/23/90/44/165239044.db2.gz VIGOORZWEBKIPA-UHFFFAOYSA-N 1 0 291.443 2.057 10 0 CEAERO Cc1oncc1C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000181712468 165351805 /nfs/dbraw/zinc/35/18/05/165351805.db2.gz WRBRWNRSKGMNHY-CYBMUJFWSA-N 1 0 272.352 2.312 10 0 CEAERO CCC[C@H](C)C[NH2+][C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182483141 165373620 /nfs/dbraw/zinc/37/36/20/165373620.db2.gz LIOVYFKWROACAZ-JSGCOSHPSA-N 1 0 292.427 2.250 10 0 CEAERO CC(C)C[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000006306859 170189667 /nfs/dbraw/zinc/18/96/67/170189667.db2.gz PZRCZHNCQHAWBI-NSHDSACASA-N 1 0 257.761 2.325 10 0 CEAERO [NH3+]C[C@H](c1ccccc1F)S(=O)(=O)c1ccc(F)cc1 ZINC000008031222 170315450 /nfs/dbraw/zinc/31/54/50/170315450.db2.gz LVQSRJXEFIUXMW-CQSZACIVSA-N 1 0 297.326 2.439 10 0 CEAERO COc1cccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000008583744 170342113 /nfs/dbraw/zinc/34/21/13/170342113.db2.gz LIJMFVZBVMEYGI-CQSZACIVSA-N 1 0 289.379 2.397 10 0 CEAERO CCCCOCCC[NH2+]Cc1ccc(OCCO)cc1 ZINC000013720214 170581490 /nfs/dbraw/zinc/58/14/90/170581490.db2.gz ZQDJJGMYANMLHF-UHFFFAOYSA-N 1 0 281.396 2.354 10 0 CEAERO COc1cccc(OC)c1OC[C@@H]1CCCC[NH2+]1 ZINC000019505305 170817453 /nfs/dbraw/zinc/81/74/53/170817453.db2.gz NKHITOPZYUESFE-NSHDSACASA-N 1 0 251.326 2.225 10 0 CEAERO N[C@H](C[NH+]1CCCCCC1)c1ccc2c(c1)OCCO2 ZINC000019821503 170882426 /nfs/dbraw/zinc/88/24/26/170882426.db2.gz HITQPPLJXMEUJJ-CQSZACIVSA-N 1 0 276.380 2.334 10 0 CEAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]CC(=O)NC1CCCC1 ZINC000020055463 170981229 /nfs/dbraw/zinc/98/12/29/170981229.db2.gz PXDWISYHJKUPMW-SCRDCRAPSA-N 1 0 252.402 2.460 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCS(=O)(=O)C1)c1ccc(F)c(Cl)c1 ZINC000020078394 170985482 /nfs/dbraw/zinc/98/54/82/170985482.db2.gz NVNZIGKDBAAXTQ-PSASIEDQSA-N 1 0 291.775 2.317 10 0 CEAERO C[C@@H]1CCC[C@H](C)C1[NH2+]CCCN1CCOCC1 ZINC000020141499 171027643 /nfs/dbraw/zinc/02/76/43/171027643.db2.gz NSKABDAIONXTHL-YIONKMFJSA-N 1 0 254.418 2.123 10 0 CEAERO CC(=O)NCC[NH2+][C@H](C)c1nc2ccccc2s1 ZINC000020148965 171037787 /nfs/dbraw/zinc/03/77/87/171037787.db2.gz HDYVRIPPTNIKGT-SECBINFHSA-N 1 0 263.366 2.083 10 0 CEAERO CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000020182687 171046076 /nfs/dbraw/zinc/04/60/76/171046076.db2.gz IPLCIBPBDCRNJM-ZDUSSCGKSA-N 1 0 296.436 2.096 10 0 CEAERO Cc1ccc(C[NH3+])cc1S(=O)(=O)N(C)c1ccccc1 ZINC000020189504 171055435 /nfs/dbraw/zinc/05/54/35/171055435.db2.gz HYYGOXMSJKENPC-UHFFFAOYSA-N 1 0 290.388 2.279 10 0 CEAERO C=COCCC[NH2+]Cc1cc(OC)c(OC)cc1OC ZINC000020197062 171061129 /nfs/dbraw/zinc/06/11/29/171061129.db2.gz BXODRSPAPBIIFK-UHFFFAOYSA-N 1 0 281.352 2.352 10 0 CEAERO c1ccc2nc(C[NH2+][C@H]3CN4CCC3CC4)ccc2c1 ZINC000020246356 171098995 /nfs/dbraw/zinc/09/89/95/171098995.db2.gz HJZYMWZRQAZHDV-KRWDZBQOSA-N 1 0 267.376 2.419 10 0 CEAERO C[N@H+](CCC(N)=S)Cc1ccc2ccccc2n1 ZINC000020246559 171099866 /nfs/dbraw/zinc/09/98/66/171099866.db2.gz OBBBAGPFXVYMBA-UHFFFAOYSA-N 1 0 259.378 2.343 10 0 CEAERO Cc1ccc([C@H](C[NH3+])N2CCSCC2)c(C)c1 ZINC000020257015 171111367 /nfs/dbraw/zinc/11/13/67/171111367.db2.gz KSWIUPGVFLWITC-AWEZNQCLSA-N 1 0 250.411 2.352 10 0 CEAERO COc1ccc2[nH]c(SC3CC[NH2+]CC3)nc2c1 ZINC000020274766 171131389 /nfs/dbraw/zinc/13/13/89/171131389.db2.gz NINVLKSVMRSFSH-UHFFFAOYSA-N 1 0 263.366 2.416 10 0 CEAERO CCC[C@H](C)NC(=O)[C@H](C)NCCC[NH+](CC)CC ZINC000020365737 171164151 /nfs/dbraw/zinc/16/41/51/171164151.db2.gz YJCNPWMGJHMQQF-KBPBESRZSA-N 1 0 271.449 2.001 10 0 CEAERO CCc1cccc(OC[C@@H](C[NH3+])N2CCCCC2)c1 ZINC000020400807 171181922 /nfs/dbraw/zinc/18/19/22/171181922.db2.gz QGCXBRTTXKGWQG-OAHLLOKOSA-N 1 0 262.397 2.441 10 0 CEAERO C[C@@H]([NH3+])c1ccccc1O[C@@H](C)C(=O)N1CCCCC1 ZINC000020419367 171184276 /nfs/dbraw/zinc/18/42/76/171184276.db2.gz KDYCCQOEGQREJI-OLZOCXBDSA-N 1 0 276.380 2.486 10 0 CEAERO C[C@H]([NH3+])c1cc(F)ccc1Sc1nccc(=O)[nH]1 ZINC000020484003 171223516 /nfs/dbraw/zinc/22/35/16/171223516.db2.gz HUQULRHUFMIUMN-ZETCQYMHSA-N 1 0 265.313 2.080 10 0 CEAERO Brc1ccc(N[C@H]2C[NH+]3CCC2CC3)nc1 ZINC000021011730 171287165 /nfs/dbraw/zinc/28/71/65/171287165.db2.gz PMRWTRRKMBLJOB-NSHDSACASA-N 1 0 282.185 2.350 10 0 CEAERO CC(=O)Nc1ccc(NC(=O)C[NH2+]C2CCCC2)cc1 ZINC000021266132 171300447 /nfs/dbraw/zinc/30/04/47/171300447.db2.gz QZCRNCIWMZANTN-UHFFFAOYSA-N 1 0 275.352 2.116 10 0 CEAERO Cc1ccc(S(=O)(=O)Nc2cccc(C[NH3+])c2)cc1 ZINC000022149650 171358151 /nfs/dbraw/zinc/35/81/51/171358151.db2.gz ARTWRLODPOJPHD-UHFFFAOYSA-N 1 0 276.361 2.255 10 0 CEAERO Cc1ccc(N)cc1NC(=O)CC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000022153310 171359977 /nfs/dbraw/zinc/35/99/77/171359977.db2.gz NWUHSIWPZOTHBE-CHWSQXEVSA-N 1 0 291.395 2.015 10 0 CEAERO Cc1ccc(N)cc1NC(=O)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000022153313 171360330 /nfs/dbraw/zinc/36/03/30/171360330.db2.gz NWUHSIWPZOTHBE-BETUJISGSA-N 1 0 291.395 2.015 10 0 CEAERO Nc1ccc(NC(=O)C[NH+]2CCCC2)cc1C(F)(F)F ZINC000022153484 171360471 /nfs/dbraw/zinc/36/04/71/171360471.db2.gz SEZLVDUKFINIAJ-UHFFFAOYSA-N 1 0 287.285 2.322 10 0 CEAERO C[C@H](C(=O)Nc1ccc(F)cc1N)[NH+]1CCC(C)CC1 ZINC000022154573 171361312 /nfs/dbraw/zinc/36/13/12/171361312.db2.gz ZBCOZIHUGMXNKC-LLVKDONJSA-N 1 0 279.359 2.467 10 0 CEAERO COc1ccc(N)cc1NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000022163069 171364831 /nfs/dbraw/zinc/36/48/31/171364831.db2.gz XZFUAMNFHBAVIM-GFCCVEGCSA-N 1 0 291.395 2.480 10 0 CEAERO CC[C@@H]([NH3+])c1ccc(OCC(=O)NC(C)(C)C)cc1 ZINC000022171794 171368280 /nfs/dbraw/zinc/36/82/80/171368280.db2.gz JVZLALVYCZHSHH-CYBMUJFWSA-N 1 0 264.369 2.390 10 0 CEAERO C[C@H]1CCC[C@H](C)[NH+]1CC(=O)Nc1ccccc1N ZINC000022177120 171370926 /nfs/dbraw/zinc/37/09/26/171370926.db2.gz NBFOUZHQFFFIEY-RYUDHWBXSA-N 1 0 261.369 2.470 10 0 CEAERO COc1ccc(NC(=O)C[NH+]2C[C@@H](C)C[C@H](C)C2)c(N)c1 ZINC000022212669 171374380 /nfs/dbraw/zinc/37/43/80/171374380.db2.gz UDPSHZULUILXHQ-RYUDHWBXSA-N 1 0 291.395 2.194 10 0 CEAERO COc1ccc(N)cc1NC(=O)CC[NH+]1CCCCC1 ZINC000022219743 171377128 /nfs/dbraw/zinc/37/71/28/171377128.db2.gz YDJKZSPVFDTMJL-UHFFFAOYSA-N 1 0 277.368 2.092 10 0 CEAERO CCc1ccc(O[C@@H]2CC3(CC[C@H]2[NH3+])OCCO3)cc1 ZINC000022564245 171391734 /nfs/dbraw/zinc/39/17/34/171391734.db2.gz SPRFIDFDCDZUGX-HUUCEWRRSA-N 1 0 277.364 2.251 10 0 CEAERO C[NH2+]Cc1ccc(OC)c(OCc2ccncc2)c1 ZINC000034817288 171870203 /nfs/dbraw/zinc/87/02/03/171870203.db2.gz RKFXRFOYNGWNKH-UHFFFAOYSA-N 1 0 258.321 2.389 10 0 CEAERO CCCS(=O)(=O)N(CCC[NH3+])C1CCCCCC1 ZINC000034960227 171905369 /nfs/dbraw/zinc/90/53/69/171905369.db2.gz AZQWMMNAAHNBBU-UHFFFAOYSA-N 1 0 276.446 2.100 10 0 CEAERO CC(C)CNC(=O)[C@H](C)[NH2+][C@@H]1CCc2ccccc21 ZINC000035180614 172034558 /nfs/dbraw/zinc/03/45/58/172034558.db2.gz BBXIMHIPCQZANR-SWLSCSKDSA-N 1 0 260.381 2.424 10 0 CEAERO CCOC(=O)CC1=CN2CC(Br)=CC=C2[NH+]=C1 ZINC000035269758 172092195 /nfs/dbraw/zinc/09/21/95/172092195.db2.gz ANKBZLQTVXFUTE-UHFFFAOYSA-N 1 0 297.152 2.344 10 0 CEAERO CCC1(CC)CC(=O)N(CC[C@H]2CCCC[NH2+]2)C1=O ZINC000035282619 172101582 /nfs/dbraw/zinc/10/15/82/172101582.db2.gz WPPBRLJUNSXZIL-GFCCVEGCSA-N 1 0 266.385 2.084 10 0 CEAERO C[NH+](C)CCCNc1ccccc1S(=O)(=O)C(F)F ZINC000035355456 172146586 /nfs/dbraw/zinc/14/65/86/172146586.db2.gz WQWZEJJOBKDXDX-UHFFFAOYSA-N 1 0 292.351 2.047 10 0 CEAERO CC[NH2+]Cc1c(N2CCSCC2)nc2sccn12 ZINC000035430004 172198349 /nfs/dbraw/zinc/19/83/49/172198349.db2.gz VCUOIMAYKSZPEK-UHFFFAOYSA-N 1 0 282.438 2.059 10 0 CEAERO CCCN(c1nc2sccn2c1C[NH2+]C)C1CC1 ZINC000035430162 172199018 /nfs/dbraw/zinc/19/90/18/172199018.db2.gz CCJBMSVXDLOGRA-UHFFFAOYSA-N 1 0 264.398 2.494 10 0 CEAERO CC(C)[NH2+]Cc1c(-n2cccn2)nc2sccn12 ZINC000035430352 172199303 /nfs/dbraw/zinc/19/93/03/172199303.db2.gz SSOAXFTVRUTMLQ-UHFFFAOYSA-N 1 0 261.354 2.080 10 0 CEAERO C[NH2+][C@H](c1ccc(OC)c(OC)c1)[C@H]1CCCO1 ZINC000035463411 172211836 /nfs/dbraw/zinc/21/18/36/172211836.db2.gz RRQREHSEYLBPRR-TZMCWYRMSA-N 1 0 251.326 2.143 10 0 CEAERO C[NH2+][C@H](c1cccs1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000035488372 172223083 /nfs/dbraw/zinc/22/30/83/172223083.db2.gz HGCFKANAPKEKLJ-LBPRGKRZSA-N 1 0 259.334 2.227 10 0 CEAERO CCCNC(=O)[C@@H](C)Oc1ccc(C)cc1[C@H](C)[NH3+] ZINC000035629340 172308817 /nfs/dbraw/zinc/30/88/17/172308817.db2.gz CDRTWNXXEWHWOH-NWDGAFQWSA-N 1 0 264.369 2.308 10 0 CEAERO CC[NH2+][C@@H](C)c1cccc(NS(=O)(=O)CC)c1 ZINC000035644727 172321915 /nfs/dbraw/zinc/32/19/15/172321915.db2.gz YJISIXGHUHDPOL-JTQLQIEISA-N 1 0 256.371 2.119 10 0 CEAERO C[C@@H]([NH2+]C1CCS(=O)(=O)CC1)c1cccc(F)c1 ZINC000035652361 172329438 /nfs/dbraw/zinc/32/94/38/172329438.db2.gz RHULXKAQFOCSHF-SNVBAGLBSA-N 1 0 271.357 2.054 10 0 CEAERO CC[NH2+]Cc1cc(Cl)cc(Cl)c1O[C@H](C)C(N)=O ZINC000035662079 172340323 /nfs/dbraw/zinc/34/03/23/172340323.db2.gz NHRYLEGMOIOTBB-SSDOTTSWSA-N 1 0 291.178 2.356 10 0 CEAERO COc1cc(C)cc(OC)c1OCC[NH2+]C1CC1 ZINC000035679105 172350015 /nfs/dbraw/zinc/35/00/15/172350015.db2.gz ZCPJIWOXOVGKMW-UHFFFAOYSA-N 1 0 251.326 2.143 10 0 CEAERO [NH3+][C@@H]1CC(=O)N(c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000035679687 172350225 /nfs/dbraw/zinc/35/02/25/172350225.db2.gz GMRFBKXJFHGCQH-SSDOTTSWSA-N 1 0 278.661 2.423 10 0 CEAERO C[C@@H](NC(=O)c1ccccc1F)[C@@H]1CCCC[NH2+]1 ZINC000035690619 172358651 /nfs/dbraw/zinc/35/86/51/172358651.db2.gz MFPJYHCBTWAHNP-MFKMUULPSA-N 1 0 250.317 2.086 10 0 CEAERO C[C@@H]([NH2+]Cc1ccccc1C(N)=O)c1ccncc1 ZINC000035693429 172362050 /nfs/dbraw/zinc/36/20/50/172362050.db2.gz AMEJAYLAWBRGJZ-LLVKDONJSA-N 1 0 255.321 2.031 10 0 CEAERO CN(Cc1cccs1)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000035717450 172371679 /nfs/dbraw/zinc/37/16/79/172371679.db2.gz OOCUYQNUIPXVKU-CYBMUJFWSA-N 1 0 260.362 2.407 10 0 CEAERO CC(C)[C@@H](NC(=O)CCC[NH3+])c1ccc(F)cc1 ZINC000037018109 172879740 /nfs/dbraw/zinc/87/97/40/172879740.db2.gz ZIDMEWGDJJDPOX-CQSZACIVSA-N 1 0 252.333 2.378 10 0 CEAERO O=C(Nc1cc2c(cc1Cl)OCO2)[C@@H]1CCC[NH2+]C1 ZINC000037018316 172880524 /nfs/dbraw/zinc/88/05/24/172880524.db2.gz AQWFWEQMLUKCQR-MRVPVSSYSA-N 1 0 282.727 2.007 10 0 CEAERO Cc1cccc(NC(=O)CCCSCC[NH3+])c1 ZINC000037035480 172903772 /nfs/dbraw/zinc/90/37/72/172903772.db2.gz AKCWTGFQIAAICN-UHFFFAOYSA-N 1 0 252.383 2.406 10 0 CEAERO Cc1nn(C)c(C)c1C[NH2+][C@@H](CC(C)C)CN(C)C ZINC000037166564 173000430 /nfs/dbraw/zinc/00/04/30/173000430.db2.gz FKJVKQXTYWQQED-AWEZNQCLSA-N 1 0 266.433 2.103 10 0 CEAERO C[C@H]([NH2+][C@H]1CCCc2c1cnn2CCO)C1(C)CC1 ZINC000037169254 173003515 /nfs/dbraw/zinc/00/35/15/173003515.db2.gz XURJVCZVWQKBKK-AAEUAGOBSA-N 1 0 263.385 2.031 10 0 CEAERO CC(C)[C@@H](C)[NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000037249524 173062205 /nfs/dbraw/zinc/06/22/05/173062205.db2.gz XBMHDJUEJUNGPI-GHMZBOCLSA-N 1 0 270.398 2.029 10 0 CEAERO COC1CCN([C@H](C[NH3+])c2ccc(Cl)cc2)CC1 ZINC000037265900 173075245 /nfs/dbraw/zinc/07/52/45/173075245.db2.gz GPZNJCYYBMVOAF-CQSZACIVSA-N 1 0 268.788 2.451 10 0 CEAERO CCOCC[NH2+]Cc1cccc(OCC)c1OC ZINC000037269103 173081315 /nfs/dbraw/zinc/08/13/15/173081315.db2.gz JNUJCFBWFSJUTB-UHFFFAOYSA-N 1 0 253.342 2.220 10 0 CEAERO COc1ccccc1CC(=O)Nc1cccc(C[NH3+])c1 ZINC000037295976 173099868 /nfs/dbraw/zinc/09/98/68/173099868.db2.gz PJCGFLQCFWRGPU-UHFFFAOYSA-N 1 0 270.332 2.335 10 0 CEAERO Cc1ccc(C(=O)CN2CCC([NH+](C)C)CC2)cc1 ZINC000037339745 173141221 /nfs/dbraw/zinc/14/12/21/173141221.db2.gz AQYSFHGSPGVPKV-UHFFFAOYSA-N 1 0 260.381 2.204 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)Nc1cc(C(=O)OC)ccc1Cl ZINC000037388697 173172234 /nfs/dbraw/zinc/17/22/34/173172234.db2.gz XQXPOSSGCWWGJO-SECBINFHSA-N 1 0 298.770 2.453 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)NCCCN(C)c1ccccc1 ZINC000037389586 173172871 /nfs/dbraw/zinc/17/28/71/173172871.db2.gz OLVUHTBHELHYBF-AWEZNQCLSA-N 1 0 277.412 2.017 10 0 CEAERO [NH3+][C@@H](CO)c1nc2cc(Cl)ccc2n1C1CC1 ZINC000037440830 173210098 /nfs/dbraw/zinc/21/00/98/173210098.db2.gz XZOFVEPGZFLQSO-VIFPVBQESA-N 1 0 251.717 2.017 10 0 CEAERO CO[C@@H]1C[NH2+][C@@H](c2nc3cccc(Cl)c3n2C)C1 ZINC000037443644 173211822 /nfs/dbraw/zinc/21/18/22/173211822.db2.gz PWWMPMHNESJOOU-GZMMTYOYSA-N 1 0 265.744 2.276 10 0 CEAERO CCn1c2c(cccc2Cl)nc1[C@H]([NH3+])[C@@H](C)O ZINC000037443965 173212511 /nfs/dbraw/zinc/21/25/11/173212511.db2.gz RRTVQNSLBDXGST-GMSGAONNSA-N 1 0 253.733 2.090 10 0 CEAERO CC[C@@]([NH2+]C(C)C)(C(N)=O)c1cccc(Cl)c1 ZINC000037446539 173213323 /nfs/dbraw/zinc/21/33/23/173213323.db2.gz YCNJJIMUSKZAPQ-ZDUSSCGKSA-N 1 0 254.761 2.429 10 0 CEAERO C[N@@H+]1CC[C@@H](CNc2ccc(Br)cc2N)C1 ZINC000037484606 173229470 /nfs/dbraw/zinc/22/94/70/173229470.db2.gz DEODEXWGISIOBK-VIFPVBQESA-N 1 0 284.201 2.395 10 0 CEAERO Cc1nc([C@H](C)[NH2+][C@H]2CN3CCC2CC3)cs1 ZINC000037507687 173242176 /nfs/dbraw/zinc/24/21/76/173242176.db2.gz IKHHLQXXPFMAEZ-CABZTGNLSA-N 1 0 251.399 2.196 10 0 CEAERO CCN(C(=O)c1cc2ccccc2o1)[C@@H]1CC[NH2+]C1 ZINC000037539845 173261285 /nfs/dbraw/zinc/26/12/85/173261285.db2.gz SKMAMLORRJZSRX-GFCCVEGCSA-N 1 0 258.321 2.257 10 0 CEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)NCC(C)C)cc1 ZINC000037572648 173523051 /nfs/dbraw/zinc/52/30/51/173523051.db2.gz KASPLECLHGOJGN-UHFFFAOYSA-N 1 0 284.425 2.121 10 0 CEAERO CC(C)[C@H](NC(=O)C[C@H](C)[NH3+])c1ccc(F)cc1 ZINC000037607893 173556011 /nfs/dbraw/zinc/55/60/11/173556011.db2.gz KBLKBFFUUMFYOL-HZMBPMFUSA-N 1 0 252.333 2.376 10 0 CEAERO COC(=O)CCC[C@H]([NH3+])c1ccc2c(c1)C[C@@H](C)O2 ZINC000037636929 173584886 /nfs/dbraw/zinc/58/48/86/173584886.db2.gz FNPNFSQTQLTBBT-MFKMUULPSA-N 1 0 263.337 2.353 10 0 CEAERO C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)C1CC[NH2+]CC1 ZINC000037805057 173745706 /nfs/dbraw/zinc/74/57/06/173745706.db2.gz NJFISQNFCKUFRO-VIFPVBQESA-N 1 0 278.318 2.175 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)cc1F ZINC000038049417 174060454 /nfs/dbraw/zinc/06/04/54/174060454.db2.gz AXIFAXMDZOFLJO-NEPJUHHUSA-N 1 0 270.735 2.479 10 0 CEAERO COc1ccc([C@H](C[NH3+])N(C)C)cc1Br ZINC000038052081 174063588 /nfs/dbraw/zinc/06/35/88/174063588.db2.gz WEKAOUUYDAETJH-JTQLQIEISA-N 1 0 273.174 2.019 10 0 CEAERO CC(C)C[N@@H+]1CCO[C@H](COc2cccc(N)c2)C1 ZINC000038054930 174066397 /nfs/dbraw/zinc/06/63/97/174066397.db2.gz ZCDZFLDJDIEHKS-HNNXBMFYSA-N 1 0 264.369 2.004 10 0 CEAERO NC(=O)CCCC[C@H]([NH3+])c1ccc2c(c1)CCCO2 ZINC000038058273 174068769 /nfs/dbraw/zinc/06/87/69/174068769.db2.gz HITUQDGICKZUEG-ZDUSSCGKSA-N 1 0 262.353 2.057 10 0 CEAERO O[C@@H](C[NH2+]CCc1ccco1)COC1CCCCC1 ZINC000038059366 174069666 /nfs/dbraw/zinc/06/96/66/174069666.db2.gz VQITUOWBIZNUEZ-ZDUSSCGKSA-N 1 0 267.369 2.122 10 0 CEAERO CC[C@@H](C)[NH2+][C@@](C)(C(N)=O)c1ccccc1Cl ZINC000038065626 174076971 /nfs/dbraw/zinc/07/69/71/174076971.db2.gz VOJXTSNETIJGQY-NOZJJQNGSA-N 1 0 254.761 2.429 10 0 CEAERO Cc1csc2nc(C)c(C[NH2+]C[C@H](C)N(C)C)n12 ZINC000038087564 174099423 /nfs/dbraw/zinc/09/94/23/174099423.db2.gz YSBZTBUROJJNDO-VIFPVBQESA-N 1 0 266.414 2.052 10 0 CEAERO O[C@H](C[NH2+]CC[C@@H]1CCCO1)c1ccc(F)c(F)c1 ZINC000038096813 174111097 /nfs/dbraw/zinc/11/10/97/174111097.db2.gz AMVRSSLVOSWPJO-SMDDNHRTSA-N 1 0 271.307 2.157 10 0 CEAERO C[NH2+]C[C@H](c1cccc(OC)c1OC)N1CCCC1 ZINC000039795628 174173117 /nfs/dbraw/zinc/17/31/17/174173117.db2.gz IPWJZFVJFKDFCN-CYBMUJFWSA-N 1 0 264.369 2.060 10 0 CEAERO C[C@H](NC(=O)[C@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000040429284 174259350 /nfs/dbraw/zinc/25/93/50/174259350.db2.gz VRTPCICMNQGBEY-JOYOIKCWSA-N 1 0 252.745 2.269 10 0 CEAERO CSCC[C@H]([NH3+])C(=O)N1CCC[C@H]1c1ccsc1 ZINC000040467928 174276492 /nfs/dbraw/zinc/27/64/92/174276492.db2.gz XFFOIZBJGVPIBJ-RYUDHWBXSA-N 1 0 284.450 2.492 10 0 CEAERO COc1ccc([C@@H](C)[NH2+]C[C@@H](O)COC(C)C)cc1OC ZINC000040491057 174292327 /nfs/dbraw/zinc/29/23/27/174292327.db2.gz VSOOHOQFUFXNGM-TZMCWYRMSA-N 1 0 297.395 2.140 10 0 CEAERO CC(C)(C)C[NH2+][C@@H]1CC(=O)N(C2CCCCC2)C1=O ZINC000040493130 174292743 /nfs/dbraw/zinc/29/27/43/174292743.db2.gz BNCYHDXAAQMWQA-GFCCVEGCSA-N 1 0 266.385 2.082 10 0 CEAERO O=C([C@H]1CCCC[NH2+]1)N(Cc1ccsc1)C1CC1 ZINC000040492064 174292920 /nfs/dbraw/zinc/29/29/20/174292920.db2.gz JOCKGXLMCMSYON-CYBMUJFWSA-N 1 0 264.394 2.381 10 0 CEAERO CCCNC(=O)[C@H](C)[NH2+][C@@H](C)COc1ccc(C)cc1 ZINC000040499811 174296444 /nfs/dbraw/zinc/29/64/44/174296444.db2.gz MZZIWIFEAUVALO-KBPBESRZSA-N 1 0 278.396 2.267 10 0 CEAERO CCCCOCC[NH2+]CC(=O)Nc1ccccc1OC ZINC000040507408 174302968 /nfs/dbraw/zinc/30/29/68/174302968.db2.gz QYXADLCXTGMYCI-UHFFFAOYSA-N 1 0 280.368 2.040 10 0 CEAERO Cc1cc(C)c(C[NH3+])c(N(C)[C@@H]2CCSC2)n1 ZINC000040509425 174303305 /nfs/dbraw/zinc/30/33/05/174303305.db2.gz DDVBLPKUNTVBEQ-LLVKDONJSA-N 1 0 251.399 2.099 10 0 CEAERO C[NH2+]C[C@@H]1CCCN(Cc2ccc(Br)o2)C1 ZINC000040592004 174347918 /nfs/dbraw/zinc/34/79/18/174347918.db2.gz SEXXFQPKZZUAOL-JTQLQIEISA-N 1 0 287.201 2.474 10 0 CEAERO CO[C@H]1C[NH2+][C@H](C(=O)Nc2ccccc2C(C)(C)C)C1 ZINC000040632877 174359055 /nfs/dbraw/zinc/35/90/55/174359055.db2.gz DXJUXCSBFUSUCR-RISCZKNCSA-N 1 0 276.380 2.300 10 0 CEAERO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H](c2ccc(F)cc2)C(C)C)C1 ZINC000040632937 174359498 /nfs/dbraw/zinc/35/94/98/174359498.db2.gz VNENGSKHZQQDSC-RRFJBIMHSA-N 1 0 294.370 2.016 10 0 CEAERO CO[C@@H]1C[NH2+][C@@H](C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000040635214 174361100 /nfs/dbraw/zinc/36/11/00/174361100.db2.gz XKXWJEHHIONAHJ-LEWSCRJBSA-N 1 0 296.798 2.236 10 0 CEAERO C[C@@H]1CCC[C@@](C[NH2+][C@@H]2CN3CCC2CC3)(N(C)C)C1 ZINC000040668649 174367284 /nfs/dbraw/zinc/36/72/84/174367284.db2.gz FFAJFPSYCMKZQP-DJIMGWMZSA-N 1 0 279.472 2.181 10 0 CEAERO CN1CCC[C@H]([NH2+]Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000040672649 174370116 /nfs/dbraw/zinc/37/01/16/174370116.db2.gz DATSPXRDCSSMEY-NSHDSACASA-N 1 0 282.771 2.253 10 0 CEAERO CCOC1CC[NH+](Cc2cc(N)cc3c2OCOC3)CC1 ZINC000040678320 174374360 /nfs/dbraw/zinc/37/43/60/174374360.db2.gz JYSSZUSWOFLLFL-UHFFFAOYSA-N 1 0 292.379 2.136 10 0 CEAERO CC(C)(C)Nc1ncnc(Nc2cc[nH+]cc2)c1N ZINC000040680369 174374636 /nfs/dbraw/zinc/37/46/36/174374636.db2.gz ZHSHVFVXSQDKGK-UHFFFAOYSA-N 1 0 258.329 2.408 10 0 CEAERO Cc1cccc(Nc2nc[nH+]c(NNC(C)(C)C)c2N)n1 ZINC000040685701 174375429 /nfs/dbraw/zinc/37/54/29/174375429.db2.gz LWEPKJXZZBTACE-UHFFFAOYSA-N 1 0 287.371 2.221 10 0 CEAERO CCOC1CCN([C@H](C[NH3+])c2cccc(F)c2)CC1 ZINC000040689120 174375956 /nfs/dbraw/zinc/37/59/56/174375956.db2.gz NSALXTMKUJBRBH-OAHLLOKOSA-N 1 0 266.360 2.326 10 0 CEAERO CC(C)[C@@H](C(=O)[O-])[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040694147 174378005 /nfs/dbraw/zinc/37/80/05/174378005.db2.gz WYYSJZRYABVVIR-AWEZNQCLSA-N 1 0 268.401 2.046 10 0 CEAERO Cc1nn(C[C@@H]([NH3+])c2ccc3c(c2)OCO3)c(C)c1C ZINC000040729701 174388177 /nfs/dbraw/zinc/38/81/77/174388177.db2.gz SVJCBFIBPYOAKG-CYBMUJFWSA-N 1 0 273.336 2.237 10 0 CEAERO CCc1c(C)nn(CC(=O)Nc2cccc(C[NH3+])c2)c1C ZINC000040731800 174388613 /nfs/dbraw/zinc/38/86/13/174388613.db2.gz QANRBRKUIXWNND-UHFFFAOYSA-N 1 0 286.379 2.160 10 0 CEAERO CCCNC(=O)N(CCC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747975 174393187 /nfs/dbraw/zinc/39/31/87/174393187.db2.gz CTNBBAZJNIIYIH-FUNVUKJBSA-N 1 0 253.390 2.101 10 0 CEAERO CCN(C(=O)OCC(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747923 174393223 /nfs/dbraw/zinc/39/32/23/174393223.db2.gz TVXZRKCNWXYFQM-FUNVUKJBSA-N 1 0 254.374 2.384 10 0 CEAERO CCCN(CC(=O)NCCC(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748519 174393560 /nfs/dbraw/zinc/39/35/60/174393560.db2.gz OQEDHZGQFLRZQU-XYPWUTKMSA-N 1 0 295.471 2.144 10 0 CEAERO CCC[N@H+](Cc1ccc(C(=O)[O-])o1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748573 174393775 /nfs/dbraw/zinc/39/37/75/174393775.db2.gz ZNVADDCKWNWVFW-FUNVUKJBSA-N 1 0 292.379 2.473 10 0 CEAERO CC(C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2Nc1ccn(C)n1 ZINC000040769263 174399348 /nfs/dbraw/zinc/39/93/48/174399348.db2.gz NCGZMSAOVVTMFM-NNQSOWQGSA-N 1 0 262.401 2.341 10 0 CEAERO CCOC(=O)c1ccccc1NC(=O)C1CCC([NH3+])CC1 ZINC000040831992 174413720 /nfs/dbraw/zinc/41/37/20/174413720.db2.gz HZTCYYRQWSFBPJ-UHFFFAOYSA-N 1 0 290.363 2.319 10 0 CEAERO C[NH+](C)CCCNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000054853240 414752540 /nfs/dbraw/zinc/75/25/40/414752540.db2.gz RJUXLQMUOMHUIB-CVEARBPZSA-N 1 0 290.407 2.222 10 0 CEAERO O=C(CC(F)(F)F)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662846916 414773048 /nfs/dbraw/zinc/77/30/48/414773048.db2.gz VNLDZEOOKZYSOD-NSHDSACASA-N 1 0 278.318 2.177 10 0 CEAERO [NH3+]CC1(CCNc2cncc(Br)c2)CC1 ZINC000404860677 414790067 /nfs/dbraw/zinc/79/00/67/414790067.db2.gz WGPZFSIUGDDSMC-UHFFFAOYSA-N 1 0 270.174 2.385 10 0 CEAERO CC[C@@H]1CN(c2nc(C(C)C)ns2)CC[C@@H]1[NH3+] ZINC000123006195 414790733 /nfs/dbraw/zinc/79/07/33/414790733.db2.gz AIVMMDGAZHKIRN-ZJUUUORDSA-N 1 0 254.403 2.225 10 0 CEAERO CC[C@H]1CN(c2ncnc3ccsc32)CC[C@@H]1[NH3+] ZINC000122974785 414792741 /nfs/dbraw/zinc/79/27/41/414792741.db2.gz JIFGJUYWUXEQTQ-UWVGGRQHSA-N 1 0 262.382 2.255 10 0 CEAERO C[C@H](NC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1)C1CCCC1 ZINC000407411749 414801066 /nfs/dbraw/zinc/80/10/66/414801066.db2.gz WDNSFVBBTQKTKE-ZLKJLUDKSA-N 1 0 250.386 2.212 10 0 CEAERO CN(C(=O)c1coc2ccccc21)[C@H](C[NH3+])C(F)(F)F ZINC000662982948 414818070 /nfs/dbraw/zinc/81/80/70/414818070.db2.gz KAFWBSDMOBPTLM-LLVKDONJSA-N 1 0 286.253 2.394 10 0 CEAERO Cc1cc(C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)cc(C)c1F ZINC000662985676 414819609 /nfs/dbraw/zinc/81/96/09/414819609.db2.gz XXYMXYIXEMENGW-JTQLQIEISA-N 1 0 292.276 2.404 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1ccnc2ccccc21 ZINC000132785951 414824170 /nfs/dbraw/zinc/82/41/70/414824170.db2.gz JSBSTJHKULLSDF-BXUZGUMPSA-N 1 0 269.348 2.092 10 0 CEAERO CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)CO1 ZINC000657298640 414842509 /nfs/dbraw/zinc/84/25/09/414842509.db2.gz WJTGKHFRIPUOIP-FPMFFAJLSA-N 1 0 297.420 2.308 10 0 CEAERO C[NH2+][C@H](C)c1ccc(NC(=O)Nc2nncs2)cc1 ZINC000041708040 174611465 /nfs/dbraw/zinc/61/14/65/174611465.db2.gz VVTMDVUQKQEMKG-MRVPVSSYSA-N 1 0 277.353 2.463 10 0 CEAERO CNC(=O)[C@H](C)n1c(C)cc2c1CC(C)(C)C[C@H]2[NH3+] ZINC000041721731 174618168 /nfs/dbraw/zinc/61/81/68/174618168.db2.gz REPYBEIROSWKSB-CMPLNLGQSA-N 1 0 263.385 2.076 10 0 CEAERO CC[C@H](C)NC(=O)CCn1c(C)cc2c1CCC[C@@H]2[NH3+] ZINC000041722706 174618376 /nfs/dbraw/zinc/61/83/76/174618376.db2.gz CKNQNUKXUJJQSP-FZMZJTMJSA-N 1 0 277.412 2.437 10 0 CEAERO C[C@@H](COCc1ccccc1)[NH2+]C[C@@H](O)CC(F)(F)F ZINC000307951735 414855120 /nfs/dbraw/zinc/85/51/20/414855120.db2.gz UZVSECNVCZJEDZ-AAEUAGOBSA-N 1 0 291.313 2.495 10 0 CEAERO CC[NH+](CC)CCN1C(=O)C(=O)c2c1c(C)ccc2C ZINC000042108268 174637879 /nfs/dbraw/zinc/63/78/79/174637879.db2.gz XCPWZNIDFVRZDJ-UHFFFAOYSA-N 1 0 274.364 2.175 10 0 CEAERO COc1ccc(C)cc1[C@@H](C)NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000042166691 174648992 /nfs/dbraw/zinc/64/89/92/174648992.db2.gz BDPKFZUULVLURU-OLZOCXBDSA-N 1 0 276.380 2.323 10 0 CEAERO Cc1cc(C)cc(OCCN(C)C(=O)C[C@H]2CCC[NH2+]2)c1 ZINC000042168856 174649984 /nfs/dbraw/zinc/64/99/84/174649984.db2.gz YTWSRIASZDAFII-OAHLLOKOSA-N 1 0 290.407 2.283 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc2ccncc2c1 ZINC000653136022 414919223 /nfs/dbraw/zinc/91/92/23/414919223.db2.gz XZHBMMSONIOKEK-ABAIWWIYSA-N 1 0 269.348 2.105 10 0 CEAERO C[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653067828 414895079 /nfs/dbraw/zinc/89/50/79/414895079.db2.gz MYKVBVUMIWHEKI-LMLFDSFASA-N 1 0 278.318 2.079 10 0 CEAERO CCC[C@@H](CC)NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653081153 414899201 /nfs/dbraw/zinc/89/92/01/414899201.db2.gz DJSVTDNUORFLSK-OPRDCNLKSA-N 1 0 266.307 2.079 10 0 CEAERO CCCc1nccnc1NCc1ccc(C[NH3+])cc1 ZINC000663273969 414900332 /nfs/dbraw/zinc/90/03/32/414900332.db2.gz LCYUWEYJHPYIIB-UHFFFAOYSA-N 1 0 256.353 2.500 10 0 CEAERO C[C@H]1CC(NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C[C@H](C)C1 ZINC000653092200 414903960 /nfs/dbraw/zinc/90/39/60/414903960.db2.gz VDKMAVBNLFNMCP-CNVPUSNMSA-N 1 0 292.345 2.325 10 0 CEAERO CCN1CC[C@H]([NH2+]Cc2cc(COC)cs2)C1 ZINC000657496196 414975834 /nfs/dbraw/zinc/97/58/34/414975834.db2.gz NZFHFAKQFPWZGA-LBPRGKRZSA-N 1 0 254.399 2.078 10 0 CEAERO [NH3+]Cc1cc(F)ccc1N(CCO)C1CCCCC1 ZINC000042512055 174764572 /nfs/dbraw/zinc/76/45/72/174764572.db2.gz HRTNLCRVTHRKNE-UHFFFAOYSA-N 1 0 266.360 2.416 10 0 CEAERO CC(C)C[C@H](CNC(=O)C1CCC1)[NH+]1CCCC1 ZINC000042556808 174793525 /nfs/dbraw/zinc/79/35/25/174793525.db2.gz PWCBHUHGLNTCNG-CQSZACIVSA-N 1 0 252.402 2.413 10 0 CEAERO CC(C)C[C@H](C)N(C)S(=O)(=O)c1cccc(C[NH3+])c1 ZINC000042589023 174810781 /nfs/dbraw/zinc/81/07/81/174810781.db2.gz BOWSTHVPOYIOLR-LBPRGKRZSA-N 1 0 284.425 2.200 10 0 CEAERO C[C@H]1CCC[C@@](C[NH3+])(N(C)Cc2cscn2)C1 ZINC000042863505 174893997 /nfs/dbraw/zinc/89/39/97/174893997.db2.gz MCCWVBBSMZNFOC-WCQYABFASA-N 1 0 253.415 2.483 10 0 CEAERO O=C(NCCOc1ccccc1)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000042897515 174904112 /nfs/dbraw/zinc/90/41/12/174904112.db2.gz BHINJXPMNQDHOB-VNQPRFMTSA-N 1 0 288.391 2.102 10 0 CEAERO CC[C@@H]1CN([C@@H](c2ccc(F)cc2)[C@@H](C)[NH3+])CCO1 ZINC000042914092 174913277 /nfs/dbraw/zinc/91/32/77/174913277.db2.gz UWCZOHZEOFIXOI-KCPJHIHWSA-N 1 0 266.360 2.325 10 0 CEAERO COc1ccc([C@@H](OC2CCOCC2)[C@@H](C)[NH3+])cc1 ZINC000042964135 174928188 /nfs/dbraw/zinc/92/81/88/174928188.db2.gz GWVNHPLFUVVKPI-ABAIWWIYSA-N 1 0 265.353 2.279 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccccc1Cl)N(CC)CCO ZINC000043051745 174959756 /nfs/dbraw/zinc/95/97/56/174959756.db2.gz XZTJLIBYBNZGGS-ZIAGYGMSSA-N 1 0 270.804 2.433 10 0 CEAERO C[C@@H]([NH3+])[C@@H](Oc1ccccc1C(N)=O)c1cccs1 ZINC000043109932 174973944 /nfs/dbraw/zinc/97/39/44/174973944.db2.gz FYYFDCPTQRWTAX-NOZJJQNGSA-N 1 0 276.361 2.314 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1cnn(C)c1)N(CC)Cc1ccncc1 ZINC000043129331 174979951 /nfs/dbraw/zinc/97/99/51/174979951.db2.gz LMYWSHAUBWJBBE-HZPDHXFCSA-N 1 0 287.411 2.116 10 0 CEAERO CC[C@H]([NH3+])[C@@H](OCCOc1ccccc1)c1cnn(C)c1 ZINC000043234639 174986933 /nfs/dbraw/zinc/98/69/33/174986933.db2.gz ZRMNEIBEZMEURS-HOTGVXAUSA-N 1 0 289.379 2.294 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Oc1ccc2c(c1)OCO2)c1cnn(C)c1 ZINC000043235318 174987021 /nfs/dbraw/zinc/98/70/21/174987021.db2.gz NVGSDCJHGMQKLN-WFASDCNBSA-N 1 0 289.335 2.006 10 0 CEAERO [NH3+][C@@H](c1c(Cl)cccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000043300051 175000995 /nfs/dbraw/zinc/00/09/95/175000995.db2.gz BWXAKJMVYKPOHV-WRWORJQWSA-N 1 0 294.203 2.428 10 0 CEAERO [NH3+][C@@H](c1cccc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043299997 175001231 /nfs/dbraw/zinc/00/12/31/175001231.db2.gz PYOVNOPZZWJWQM-KOLCDFICSA-N 1 0 293.310 2.140 10 0 CEAERO CC[NH2+][C@H](c1ccc(F)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000043300812 175001765 /nfs/dbraw/zinc/00/17/65/175001765.db2.gz BAADVFPLMYDXKI-ZANVPECISA-N 1 0 289.347 2.050 10 0 CEAERO CCC[NH2+][C@@H](c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043301427 175002052 /nfs/dbraw/zinc/00/20/52/175002052.db2.gz HNBPCWPLWVUPDW-KGLIPLIRSA-N 1 0 267.394 2.162 10 0 CEAERO CCN(CCOC)[C@H](C[NH3+])c1cccc(C)c1C ZINC000043314915 175004386 /nfs/dbraw/zinc/00/43/86/175004386.db2.gz DONSPHJLYJVQQA-OAHLLOKOSA-N 1 0 250.386 2.272 10 0 CEAERO CC[NH+](CC)C[C@H](O)CNc1cccc(F)c1C ZINC000043320759 175005789 /nfs/dbraw/zinc/00/57/89/175005789.db2.gz MENSGCOMDQWFHG-GFCCVEGCSA-N 1 0 254.349 2.249 10 0 CEAERO Cc1cc(-c2nnco2)ccc1N[C@H]1CCC[NH2+]C1 ZINC000043326762 175008312 /nfs/dbraw/zinc/00/83/12/175008312.db2.gz UVNXBASBNYHIKA-LBPRGKRZSA-N 1 0 258.325 2.209 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccco1)N(CCCOC)CCOC ZINC000043335998 175011952 /nfs/dbraw/zinc/01/19/52/175011952.db2.gz KTSAHNWWLKCUCD-UKRRQHHQSA-N 1 0 284.400 2.043 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccccn1)N(CC)C[C@@H]1CCCO1 ZINC000043340087 175014771 /nfs/dbraw/zinc/01/47/71/175014771.db2.gz XGPZTRYSCZMZPV-OFQRWUPVSA-N 1 0 277.412 2.361 10 0 CEAERO CC[C@@H]([NH3+])[C@H](OC[C@@H]1CCCO1)c1ccccn1 ZINC000043342720 175015759 /nfs/dbraw/zinc/01/57/59/175015759.db2.gz GIHFYBWOXTUKGY-SCRDCRAPSA-N 1 0 250.342 2.056 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Oc1ccccc1C(N)=O)c1ccccn1 ZINC000043342966 175015802 /nfs/dbraw/zinc/01/58/02/175015802.db2.gz UGFBHQJQKPLIOW-SWLSCSKDSA-N 1 0 285.347 2.038 10 0 CEAERO C[C@H]([NH3+])[C@H](Oc1ccc(CO)cc1)c1ccccn1 ZINC000043343988 175016434 /nfs/dbraw/zinc/01/64/34/175016434.db2.gz XBPBOQKIQAWYEC-NHYWBVRUSA-N 1 0 258.321 2.041 10 0 CEAERO C[C@@H]([NH3+])[C@H](Oc1ccc(CO)cc1)c1cccnc1 ZINC000043351426 175019805 /nfs/dbraw/zinc/01/98/05/175019805.db2.gz UCFOSZYIVDELHQ-ABAIWWIYSA-N 1 0 258.321 2.041 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccncc1)N(C)Cc1cc(C)on1 ZINC000043353755 175021080 /nfs/dbraw/zinc/02/10/80/175021080.db2.gz WYVGCPPLVCXKJX-GJZGRUSLSA-N 1 0 274.368 2.288 10 0 CEAERO CC[C@H]([NH3+])[C@@H](OC[C@@H]1CCCO1)c1ccncc1 ZINC000043355617 175022939 /nfs/dbraw/zinc/02/29/39/175022939.db2.gz RFFGBZQZGVQLGL-IHRRRGAJSA-N 1 0 250.342 2.056 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Oc1ccccc1C(N)=O)c1ccncc1 ZINC000043355746 175023378 /nfs/dbraw/zinc/02/33/78/175023378.db2.gz BHNWTWUDHWAVRX-UKRRQHHQSA-N 1 0 285.347 2.038 10 0 CEAERO CC[C@H]([NH3+])[C@H](Oc1ccccc1C(N)=O)c1ccncc1 ZINC000043355745 175023606 /nfs/dbraw/zinc/02/36/06/175023606.db2.gz BHNWTWUDHWAVRX-DZGCQCFKSA-N 1 0 285.347 2.038 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000043363677 175024040 /nfs/dbraw/zinc/02/40/40/175024040.db2.gz FSWILXGDAGYVNP-QVHKTLOISA-N 1 0 266.385 2.476 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)N1CCSCC1 ZINC000043363943 175024485 /nfs/dbraw/zinc/02/44/85/175024485.db2.gz LJJAPHZVCUHKGY-DGCLKSJQSA-N 1 0 254.399 2.415 10 0 CEAERO Cc1ccc([C@@H]([C@@H](C)[NH3+])N(C)C[C@@H]2CCCO2)o1 ZINC000043364760 175025769 /nfs/dbraw/zinc/02/57/69/175025769.db2.gz WMSJEPCJJMSSMT-MBNYWOFBSA-N 1 0 252.358 2.087 10 0 CEAERO CC[C@H]([NH3+])[C@@H](N(C)Cc1ccncc1)C(F)(F)F ZINC000043377312 175030024 /nfs/dbraw/zinc/03/00/24/175030024.db2.gz XIYHCXCQJPOPFL-WDEREUQCSA-N 1 0 261.291 2.182 10 0 CEAERO C[C@@H]([NH3+])[C@@H](N(C)Cc1ccsc1)C(F)(F)F ZINC000043377232 175030246 /nfs/dbraw/zinc/03/02/46/175030246.db2.gz AKLLEFRSUODQCT-VXNVDRBHSA-N 1 0 252.305 2.458 10 0 CEAERO CC[C@H]([NH3+])[C@@H](N(C)CC(F)(F)F)C(F)(F)F ZINC000043377878 175030420 /nfs/dbraw/zinc/03/04/20/175030420.db2.gz NAPPGADHBPWYQR-NTSWFWBYSA-N 1 0 252.202 2.149 10 0 CEAERO COc1cccc(CN(C)[C@H]([C@@H](C)[NH3+])C(F)(F)F)c1 ZINC000043378180 175030585 /nfs/dbraw/zinc/03/05/85/175030585.db2.gz KXOVHZZSAUNAPE-BXKDBHETSA-N 1 0 276.302 2.405 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](N(CCOC)CC(C)C)C(F)(F)F ZINC000043378667 175030920 /nfs/dbraw/zinc/03/09/20/175030920.db2.gz HZQPGRWFXXLUBI-GHMZBOCLSA-N 1 0 270.339 2.259 10 0 CEAERO C[C@@H]([NH3+])[C@@H](OCCCc1ccncc1)C(F)(F)F ZINC000043384891 175031665 /nfs/dbraw/zinc/03/16/65/175031665.db2.gz CFEVETHRBSFJGN-MWLCHTKSSA-N 1 0 262.275 2.309 10 0 CEAERO Cc1ccc(C(N)=S)c(N[C@H](C)C[NH+]2CCCCC2)n1 ZINC000043396887 175036639 /nfs/dbraw/zinc/03/66/39/175036639.db2.gz WKMIABAPXIGQAG-GFCCVEGCSA-N 1 0 292.452 2.311 10 0 CEAERO C[NH2+][C@H](c1ccc(OC)cc1)[C@H](C)N1CCO[C@@H](C)C1 ZINC000043812463 175110715 /nfs/dbraw/zinc/11/07/15/175110715.db2.gz HSDOUZDIIIAAOC-XEZPLFJOSA-N 1 0 278.396 2.065 10 0 CEAERO CCC[NH2+][C@H](CN(C)C)c1ccc2c(c1)OCO2 ZINC000043816231 175112500 /nfs/dbraw/zinc/11/25/00/175112500.db2.gz FRIHNZTXSHQXDG-GFCCVEGCSA-N 1 0 250.342 2.018 10 0 CEAERO CCC[NH2+][C@H]1CCC2(C[C@@H]1N(CC)C1CC1)OCCO2 ZINC000043822291 175114779 /nfs/dbraw/zinc/11/47/79/175114779.db2.gz SQKCRYPZMCHTBK-GJZGRUSLSA-N 1 0 282.428 2.135 10 0 CEAERO CCN(C[C@@H]([NH2+]C)c1ccc2c(c1)OCCO2)C(C)C ZINC000043824107 175114827 /nfs/dbraw/zinc/11/48/27/175114827.db2.gz NFKBHMCANVIQIS-CQSZACIVSA-N 1 0 278.396 2.449 10 0 CEAERO CCC[NH2+][C@@H]1CCOC[C@@H]1N1CCCC[C@@H]1CC ZINC000043883511 175116268 /nfs/dbraw/zinc/11/62/68/175116268.db2.gz DNFNFMKZNLLRMN-ZNMIVQPWSA-N 1 0 254.418 2.408 10 0 CEAERO CCC[NH2+][C@H]1CCC2(C[C@H]1N(CC)CCC)OCCO2 ZINC000043884814 175116758 /nfs/dbraw/zinc/11/67/58/175116758.db2.gz BOQNLWISDCUAJQ-LSDHHAIUSA-N 1 0 284.444 2.382 10 0 CEAERO CCCN(C)C[C@H]([NH2+]C)c1ccc2c(c1)OCO2 ZINC000043885874 175117182 /nfs/dbraw/zinc/11/71/82/175117182.db2.gz ZHCCKLIGHCPBMF-LBPRGKRZSA-N 1 0 250.342 2.018 10 0 CEAERO C[NH2+][C@@H](c1ccc(OC)cc1)[C@H](C)N1CCC(OC)CC1 ZINC000043890019 175117819 /nfs/dbraw/zinc/11/78/19/175117819.db2.gz YMBLVEMUAXRFBR-SUMWQHHRSA-N 1 0 292.423 2.455 10 0 CEAERO CC[NH2+][C@@H](CN1CCOC[C@@H]1C)c1cccc(OC)c1 ZINC000043891473 175117991 /nfs/dbraw/zinc/11/79/91/175117991.db2.gz OCEYZBKIUGOJQM-BBRMVZONSA-N 1 0 278.396 2.067 10 0 CEAERO CC[NH2+][C@@H]1CCCCC[C@@H]1N1CCC(OC)CC1 ZINC000043890161 175118209 /nfs/dbraw/zinc/11/82/09/175118209.db2.gz WIVGINFARQVGLG-CABCVRRESA-N 1 0 254.418 2.408 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2OC[C@H]1N(C)Cc1cccnc1 ZINC000043893528 175118487 /nfs/dbraw/zinc/11/84/87/175118487.db2.gz YEOWMLDCEASUKL-NVXWUHKLSA-N 1 0 283.375 2.235 10 0 CEAERO C[NH2+][C@@H](c1ccc(OC)cc1)[C@@H](C)N1CCOC(C)(C)C1 ZINC000043897705 175120287 /nfs/dbraw/zinc/12/02/87/175120287.db2.gz TWRPZLIQLMZSPQ-CZUORRHYSA-N 1 0 292.423 2.455 10 0 CEAERO CCOc1ccc([C@H](CN(C)C2CCOCC2)[NH2+]C)cc1 ZINC000043898201 175121522 /nfs/dbraw/zinc/12/15/22/175121522.db2.gz RMEOCIMABHEWOE-KRWDZBQOSA-N 1 0 292.423 2.457 10 0 CEAERO CCC[NH2+][C@@H]1CCCC[C@@H]1N1CCOC[C@@H]1CC ZINC000043899434 175122205 /nfs/dbraw/zinc/12/22/05/175122205.db2.gz OJMVTJHBGNFABK-ZNMIVQPWSA-N 1 0 254.418 2.408 10 0 CEAERO CCOC1CCN([C@H]2Cc3ccccc3[C@@H]2[NH2+]C)CC1 ZINC000043907014 175122879 /nfs/dbraw/zinc/12/28/79/175122879.db2.gz HYKMMFXWTIMGSU-IRXDYDNUSA-N 1 0 274.408 2.373 10 0 CEAERO CCC[NH2+][C@H]1CCC[C@H]1N1CCC(OCC)CC1 ZINC000043907541 175123428 /nfs/dbraw/zinc/12/34/28/175123428.db2.gz QAHBRICSNHZHGV-LSDHHAIUSA-N 1 0 254.418 2.408 10 0 CEAERO CCC[NH2+][C@@H](CN(CCOC)CCOC)c1ccccc1 ZINC000043912872 175124174 /nfs/dbraw/zinc/12/41/74/175124174.db2.gz FWDWBSYFSJYZCJ-KRWDZBQOSA-N 1 0 294.439 2.322 10 0 CEAERO CCC[C@H]([NH2+]CC)[C@@H](CC)N(CCOC)CCOC ZINC000043912802 175124293 /nfs/dbraw/zinc/12/42/93/175124293.db2.gz CVWGILHPWJUACZ-LSDHHAIUSA-N 1 0 274.449 2.138 10 0 CEAERO C[NH2+][C@@H](CN(C)CCOC)c1cc(C)ccc1C ZINC000043915441 175124800 /nfs/dbraw/zinc/12/48/00/175124800.db2.gz UFYRPDQRXVFNQF-HNNXBMFYSA-N 1 0 250.386 2.142 10 0 CEAERO CC[C@@H]1CC[C@@H]([NH2+]C)[C@H](N2CCOCC2(C)C)C1 ZINC000043916661 175125545 /nfs/dbraw/zinc/12/55/45/175125545.db2.gz FGHBBXMHXXUNAZ-MGPQQGTHSA-N 1 0 254.418 2.264 10 0 CEAERO CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N(C)Cc1cnn(C)c1 ZINC000043967231 175128343 /nfs/dbraw/zinc/12/83/43/175128343.db2.gz IDEGHJQNIXUEFE-CFVMTHIKSA-N 1 0 264.417 2.019 10 0 CEAERO CCC[C@@H]([NH2+]CC)[C@@H](CC)N(C)Cc1cnn(C)c1 ZINC000043967266 175128676 /nfs/dbraw/zinc/12/86/76/175128676.db2.gz XUBUYEPSVCZBPG-HUUCEWRRSA-N 1 0 266.433 2.409 10 0 CEAERO CCCCN(C1CC1)[C@@H]1COCC[C@@H]1[NH2+]CCC ZINC000043968187 175129886 /nfs/dbraw/zinc/12/98/86/175129886.db2.gz OHUCTXCTWWWTQZ-LSDHHAIUSA-N 1 0 254.418 2.408 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2C[C@H]1N(C)[C@@H](C)COC ZINC000043969211 175130756 /nfs/dbraw/zinc/13/07/56/175130756.db2.gz JKZLXCIQUOBBJL-APHBMKBZSA-N 1 0 262.397 2.229 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2C[C@@H]1N(CCOC)C1CC1 ZINC000043969950 175131263 /nfs/dbraw/zinc/13/12/63/175131263.db2.gz AZFXVXAOPKRTDF-IRXDYDNUSA-N 1 0 274.408 2.373 10 0 CEAERO C[NH2+][C@H](c1ccccc1)[C@@H](C)N(CCCOC)CCOC ZINC000043970841 175131711 /nfs/dbraw/zinc/13/17/11/175131711.db2.gz OUOZMMYDXKSHIH-WBVHZDCISA-N 1 0 294.439 2.321 10 0 CEAERO [NH3+]CCC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000044396907 175171159 /nfs/dbraw/zinc/17/11/59/175171159.db2.gz NIACWPAOHOITHU-UHFFFAOYSA-N 1 0 262.353 2.384 10 0 CEAERO Brc1ccc(NC[C@@H]2CCCC[NH2+]2)nc1 ZINC000044493354 175181305 /nfs/dbraw/zinc/18/13/05/175181305.db2.gz LGBQRSNLEBYTMC-JTQLQIEISA-N 1 0 270.174 2.398 10 0 CEAERO c1ccc2c(c1)Cc1sc(N3CC[NH2+]CC3)nc1-2 ZINC000044494112 175181485 /nfs/dbraw/zinc/18/14/85/175181485.db2.gz OVWCFHVIXUQAAA-UHFFFAOYSA-N 1 0 257.362 2.124 10 0 CEAERO Cc1nc(CN(C)CCC2CC[NH2+]CC2)cs1 ZINC000044609944 175216361 /nfs/dbraw/zinc/21/63/61/175216361.db2.gz XUTFUSYRNFANFL-UHFFFAOYSA-N 1 0 253.415 2.273 10 0 CEAERO CC[NH2+][C@H]1CCCc2cc(OC[C@H](C)C(N)=O)ccc21 ZINC000044745608 175241877 /nfs/dbraw/zinc/24/18/77/175241877.db2.gz DFKWSXIMENTFBW-NHYWBVRUSA-N 1 0 276.380 2.174 10 0 CEAERO Oc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CN2CCC1CC2 ZINC000044746748 175242847 /nfs/dbraw/zinc/24/28/47/175242847.db2.gz UCDOBEQVUFGYQA-IRXDYDNUSA-N 1 0 272.392 2.453 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)NCCCOCC ZINC000044793420 175254231 /nfs/dbraw/zinc/25/42/31/175254231.db2.gz QMSPSVYWEAUFMZ-UHFFFAOYSA-N 1 0 258.406 2.075 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)Nc1ccc(OC)c(F)c1 ZINC000044801055 175255799 /nfs/dbraw/zinc/25/57/99/175255799.db2.gz VLSXQWUDNWMXCB-VIFPVBQESA-N 1 0 254.305 2.148 10 0 CEAERO CC(C)[C@@H](C[NH3+])C(=O)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000044802494 175256303 /nfs/dbraw/zinc/25/63/03/175256303.db2.gz RYRAHGWTDUXSNB-MGPQQGTHSA-N 1 0 252.402 2.256 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)N1CCO[C@H]2CCC[C@H]21 ZINC000044808284 175257027 /nfs/dbraw/zinc/25/70/27/175257027.db2.gz BZIOUSVEEYZNTB-KGLIPLIRSA-N 1 0 282.428 2.312 10 0 CEAERO CNC(=O)CC[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000044989480 175285752 /nfs/dbraw/zinc/28/57/52/175285752.db2.gz MYFZGAAXUDQUBY-UHFFFAOYSA-N 1 0 266.772 2.312 10 0 CEAERO CNC(=O)CC[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000044990069 175286048 /nfs/dbraw/zinc/28/60/48/175286048.db2.gz NHCPPLIUSXYRTG-NSHDSACASA-N 1 0 268.357 2.088 10 0 CEAERO COCC[C@@](C)(C[NH3+])N(C)Cc1ccc(F)cc1 ZINC000045043398 175294641 /nfs/dbraw/zinc/29/46/41/175294641.db2.gz DNJVOFDZALOKKX-AWEZNQCLSA-N 1 0 254.349 2.011 10 0 CEAERO COCC[C@](C)(NC1CCCCCC1)C(=O)OC ZINC000045044384 175295497 /nfs/dbraw/zinc/29/54/97/175295497.db2.gz COOBEKDNBPJMIH-AWEZNQCLSA-N 1 0 257.374 2.267 10 0 CEAERO CC[C@H](C)N1C(=O)C[C@@H]([NH2+]C2(C)CCCCC2)C1=O ZINC000045043722 175295807 /nfs/dbraw/zinc/29/58/07/175295807.db2.gz IUVRPSHQPMXFOG-NWDGAFQWSA-N 1 0 266.385 2.225 10 0 CEAERO CCCC[C@H]([NH2+]CCCS(N)(=O)=O)c1ccccc1 ZINC000045069661 175300913 /nfs/dbraw/zinc/30/09/13/175300913.db2.gz QPUGEIYFPLIWCD-AWEZNQCLSA-N 1 0 284.425 2.186 10 0 CEAERO C[N@H+](C[C@@H](N)c1ccc2c(c1)OCCO2)CC(C)(C)C ZINC000045072678 175302000 /nfs/dbraw/zinc/30/20/00/175302000.db2.gz JOHTZRXYLFZSST-CYBMUJFWSA-N 1 0 278.396 2.436 10 0 CEAERO CN(CC(C)(C)C)c1nc2sccn2c1C[NH3+] ZINC000045085490 175303688 /nfs/dbraw/zinc/30/36/88/175303688.db2.gz LBVCODJGZWNQQW-UHFFFAOYSA-N 1 0 252.387 2.337 10 0 CEAERO CC(C)CCOCC[NH2+]CCOCC(F)(F)F ZINC000045106655 175307970 /nfs/dbraw/zinc/30/79/70/175307970.db2.gz KFEBJXUINNFODE-UHFFFAOYSA-N 1 0 257.296 2.218 10 0 CEAERO C[C@H](Cn1c(N)nc2cc(Cl)ccc21)[NH+](C)C ZINC000045108634 175308820 /nfs/dbraw/zinc/30/88/20/175308820.db2.gz QJZZFKQIPIFXJI-MRVPVSSYSA-N 1 0 252.749 2.222 10 0 CEAERO Cn1ccnc1CC[NH2+]Cc1ccc2ccccc2n1 ZINC000045134590 175312534 /nfs/dbraw/zinc/31/25/34/175312534.db2.gz VDKFPZXBDIDBSN-UHFFFAOYSA-N 1 0 266.348 2.301 10 0 CEAERO Cn1ccnc1CC[NH2+]Cc1ccc2ncccc2c1 ZINC000045134591 175312590 /nfs/dbraw/zinc/31/25/90/175312590.db2.gz UYYMSODEFKEBJS-UHFFFAOYSA-N 1 0 266.348 2.301 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N[C@H]2CC2(C)C)cc1 ZINC000045138121 175314916 /nfs/dbraw/zinc/31/49/16/175314916.db2.gz YQPXDDJBSHPAKW-GWCFXTLKSA-N 1 0 282.409 2.044 10 0 CEAERO CCn1nc(C)c(-c2c[nH]c([C@H]3CCC[NH2+]3)n2)c1C ZINC000045169315 175319702 /nfs/dbraw/zinc/31/97/02/175319702.db2.gz GZZVGEILOWFPCP-LLVKDONJSA-N 1 0 259.357 2.334 10 0 CEAERO CCn1nc(C)c(-c2c[nH]c(CC[NH2+]C3CC3)n2)c1C ZINC000045169463 175319903 /nfs/dbraw/zinc/31/99/03/175319903.db2.gz UKNDUSWLZMZXKD-UHFFFAOYSA-N 1 0 273.384 2.204 10 0 CEAERO CC[C@H](C)NC(=O)CC[NH2+][C@H](C)c1c(C)nn(CC)c1C ZINC000045171876 175320804 /nfs/dbraw/zinc/32/08/04/175320804.db2.gz PPLSERNSKPXYJD-NWDGAFQWSA-N 1 0 294.443 2.475 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]C1CCN(C2CC2)CC1 ZINC000045171152 175320897 /nfs/dbraw/zinc/32/08/97/175320897.db2.gz YGQBDPMMPXGPJG-LLVKDONJSA-N 1 0 276.428 2.314 10 0 CEAERO COCC[NH2+]Cc1nc2c(s1)Cc1ccccc1-2 ZINC000045205977 175327718 /nfs/dbraw/zinc/32/77/18/175327718.db2.gz HIFKNNPCSPRIAN-UHFFFAOYSA-N 1 0 260.362 2.450 10 0 CEAERO CCCC[N@H+](C)C[C@](NC)(C(=O)OCC)c1ccccc1 ZINC000045221911 175330602 /nfs/dbraw/zinc/33/06/02/175330602.db2.gz TULYSKWBTXRIGX-QGZVFWFLSA-N 1 0 292.423 2.396 10 0 CEAERO COC(=O)[C@@](C[NH+]1CCCC1)(NC(C)C)c1ccccc1 ZINC000045225720 175332703 /nfs/dbraw/zinc/33/27/03/175332703.db2.gz QFFIKRHNRNXYOQ-KRWDZBQOSA-N 1 0 290.407 2.149 10 0 CEAERO CCC[NH2+][C@@](C)(CC[NH+]1CCCCCC1)C(=O)[O-] ZINC000045228840 175334125 /nfs/dbraw/zinc/33/41/25/175334125.db2.gz XYVSZBGPQOUYJB-AWEZNQCLSA-N 1 0 256.390 2.095 10 0 CEAERO CCC[NH+](CCC)C[C@@](NC)(C(=O)OC)c1ccccc1 ZINC000045230225 175334290 /nfs/dbraw/zinc/33/42/90/175334290.db2.gz AIXRTOWLROOTKQ-KRWDZBQOSA-N 1 0 292.423 2.396 10 0 CEAERO COC(=O)[C@@](C[N@H+](C)C(C)C)(NC(C)C)c1ccccc1 ZINC000045229391 175334294 /nfs/dbraw/zinc/33/42/94/175334294.db2.gz RQWIIPABVNMEKX-KRWDZBQOSA-N 1 0 292.423 2.393 10 0 CEAERO CCCN[C@](C)(C[NH+]1CCCCCC1)C(=O)OCC ZINC000045228787 175334464 /nfs/dbraw/zinc/33/44/64/175334464.db2.gz PSLDQFNKKACPPT-OAHLLOKOSA-N 1 0 270.417 2.184 10 0 CEAERO CCCC[NH+](CCCC)CC[C@](C)(NC)C(=O)OC ZINC000045263312 175337147 /nfs/dbraw/zinc/33/71/47/175337147.db2.gz SMBCGJDGDDSYLY-HNNXBMFYSA-N 1 0 272.433 2.430 10 0 CEAERO CCN[C@@](C[N@H+](C)CC)(C(=O)OCC)c1ccccc1 ZINC000045264611 175338238 /nfs/dbraw/zinc/33/82/38/175338238.db2.gz QZKKIKHQXYNGEU-MRXNPFEDSA-N 1 0 278.396 2.006 10 0 CEAERO CCC[N@H+](C)C[C@](NC(C)C)(C(=O)OC)c1ccccc1 ZINC000045264337 175338545 /nfs/dbraw/zinc/33/85/45/175338545.db2.gz QYUNVOOFLBILMZ-QGZVFWFLSA-N 1 0 292.423 2.395 10 0 CEAERO CCCN[C@](C)(C[N@H+](CCC)C(C)C)C(=O)OCC ZINC000045266810 175338765 /nfs/dbraw/zinc/33/87/65/175338765.db2.gz QJARXSOPNNOOLP-OAHLLOKOSA-N 1 0 272.433 2.428 10 0 CEAERO CCCCC[N@H+](C)C[C@@](C)(NC1CC1)C(=O)OCC ZINC000045268175 175340457 /nfs/dbraw/zinc/34/04/57/175340457.db2.gz HNFKOGDZOMNTFQ-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CCN[C@@](C)(CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)OC ZINC000045272154 175343332 /nfs/dbraw/zinc/34/33/32/175343332.db2.gz MHWCMBAGCQYJAT-UXLLHSPISA-N 1 0 296.455 2.430 10 0 CEAERO CCCN[C@](C)(CC[NH+](CC(C)C)CC(C)C)C(N)=O ZINC000045273857 175344466 /nfs/dbraw/zinc/34/44/66/175344466.db2.gz UOJGLNDMTBSCES-MRXNPFEDSA-N 1 0 285.476 2.234 10 0 CEAERO CCC[NH2+][C@@](C)(CC[N@H+](CC(C)C)C1CC1)C(=O)[O-] ZINC000045277530 175347741 /nfs/dbraw/zinc/34/77/41/175347741.db2.gz WMWSUKKWZWZPJP-HNNXBMFYSA-N 1 0 270.417 2.340 10 0 CEAERO CCCN[C@@](C)(CC[N@H+](CC)CC(CC)CC)C(N)=O ZINC000045277854 175348073 /nfs/dbraw/zinc/34/80/73/175348073.db2.gz VSESBIAVOBLPME-INIZCTEOSA-N 1 0 285.476 2.378 10 0 CEAERO CCOC(=O)[C@@](C)(C[N@H+](C)[C@@H]1CCCC[C@@H]1C)NC ZINC000045279003 175349251 /nfs/dbraw/zinc/34/92/51/175349251.db2.gz WOXUOYSCWPZYDM-GZBFAFLISA-N 1 0 270.417 2.038 10 0 CEAERO COC(=O)[C@](C)(C[N@H+](C)[C@@H]1CCCC[C@@H]1C)NC1CC1 ZINC000045279049 175349326 /nfs/dbraw/zinc/34/93/26/175349326.db2.gz GNGTUYAICLJAOF-BJJXKVORSA-N 1 0 282.428 2.181 10 0 CEAERO CCCN[C@@](C)(C[N@H+](C)CC(C)(C)C)C(=O)OCC ZINC000045279341 175349409 /nfs/dbraw/zinc/34/94/09/175349409.db2.gz DORKIIASLMPHOM-HNNXBMFYSA-N 1 0 272.433 2.286 10 0 CEAERO CCC1CCC([N@H+](C)CC[C@](C)(NC)C(=O)OC)CC1 ZINC000045281143 175351805 /nfs/dbraw/zinc/35/18/05/175351805.db2.gz OWRNTPLRCCMUBV-XUJLQICISA-N 1 0 284.444 2.428 10 0 CEAERO CCCN[C@](C)(C[N@H+](C)CCC(C)C)C(=O)OCC ZINC000045281236 175352070 /nfs/dbraw/zinc/35/20/70/175352070.db2.gz VQKUIBPEYNEQCY-OAHLLOKOSA-N 1 0 272.433 2.286 10 0 CEAERO CC[NH2+][C@](C)(CC[N@H+](C)CC1CCCCC1)C(=O)[O-] ZINC000045281609 175352760 /nfs/dbraw/zinc/35/27/60/175352760.db2.gz ZYZBRRBGRBCJJX-OAHLLOKOSA-N 1 0 270.417 2.341 10 0 CEAERO CCCC[N@H+](C[C@](C)(N)C(=O)OCC)[C@@H](C)CC ZINC000045282519 175352826 /nfs/dbraw/zinc/35/28/26/175352826.db2.gz DVLVPGRPIBUTFB-JSGCOSHPSA-N 1 0 258.406 2.168 10 0 CEAERO COC(=O)[C@@](C)(C[N@H+](C)CC1CCCCC1)NC(C)C ZINC000045281583 175352872 /nfs/dbraw/zinc/35/28/72/175352872.db2.gz XZXDLYFGMKRJFX-MRXNPFEDSA-N 1 0 284.444 2.428 10 0 CEAERO CCN[C@@](C)(CCC[N@@H+]1CCC[C@@H]1CC)C(=O)OC ZINC000045367511 175362946 /nfs/dbraw/zinc/36/29/46/175362946.db2.gz SGGHAEXOMOZQSZ-ZFWWWQNUSA-N 1 0 270.417 2.182 10 0 CEAERO CN[C@@](C)(CCC[NH+]1CCCCCCC1)C(=O)OC ZINC000045371565 175364495 /nfs/dbraw/zinc/36/44/95/175364495.db2.gz HCHFJCLBPWSFJM-HNNXBMFYSA-N 1 0 270.417 2.184 10 0 CEAERO CCOC(=O)[C@](C)(CCC[N@H+]1C[C@H](C)C[C@H](C)C1)NC ZINC000045373539 175364780 /nfs/dbraw/zinc/36/47/80/175364780.db2.gz TVAFQLLIOOPCLF-LZWOXQAQSA-N 1 0 284.444 2.286 10 0 CEAERO CC[NH2+][C@@](C)(CCCCN1CCc2ccccc21)C(N)=O ZINC000045372747 175364871 /nfs/dbraw/zinc/36/48/71/175364871.db2.gz DDZYCDRLUMEWLY-KRWDZBQOSA-N 1 0 289.423 2.073 10 0 CEAERO CCOC(=O)[C@](C)(CCCC[NH+]1CCCC1)NC1CC1 ZINC000045375313 175366108 /nfs/dbraw/zinc/36/61/08/175366108.db2.gz WFLNEEUNAUFXHJ-INIZCTEOSA-N 1 0 282.428 2.326 10 0 CEAERO CCCN[C@@](C)(CCCC[N@H+](C)C(C)C)C(=O)OC ZINC000045377985 175367569 /nfs/dbraw/zinc/36/75/69/175367569.db2.gz KYUCFXYNEHLCRB-HNNXBMFYSA-N 1 0 272.433 2.428 10 0 CEAERO CCC[NH+](CCC)C[C@H](NC(C)C)C(=O)OCC ZINC000045378462 175367873 /nfs/dbraw/zinc/36/78/73/175367873.db2.gz WUYXXRMIFBGFJB-ZDUSSCGKSA-N 1 0 258.406 2.038 10 0 CEAERO CCCN[C@H](C[NH+]1[C@@H](C)CCC[C@@H]1C)C(=O)OCC ZINC000045379485 175368134 /nfs/dbraw/zinc/36/81/34/175368134.db2.gz XJFWUYAYRJHTPZ-MELADBBJSA-N 1 0 270.417 2.181 10 0 CEAERO CC[NH2+][C@](C)(CCC[N@H+]1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000045379648 175369369 /nfs/dbraw/zinc/36/93/69/175369369.db2.gz XXWDPMGOBQYSAT-VNHYZAJKSA-N 1 0 270.417 2.482 10 0 CEAERO CCCN[C@](C)(CCCC[N@H+](C)CC)C(=O)OCC ZINC000045382729 175370681 /nfs/dbraw/zinc/37/06/81/175370681.db2.gz DAUJSRSUCJDFLF-OAHLLOKOSA-N 1 0 272.433 2.430 10 0 CEAERO CC[N@H+](CCCC[C@@](C)(NC)C(=O)OC)C(C)C ZINC000045383641 175370864 /nfs/dbraw/zinc/37/08/64/175370864.db2.gz OSPJDEPKOIXETK-CQSZACIVSA-N 1 0 258.406 2.038 10 0 CEAERO CCOC(=O)[C@@](C)(CCC[N@H+](C)C1CCCC1)NC ZINC000045384842 175372498 /nfs/dbraw/zinc/37/24/98/175372498.db2.gz GURVWOSPBREASL-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CCC[NH2+][C@@](C)(CCC[N@H+](CC)CCC)C(=O)[O-] ZINC000045387006 175372745 /nfs/dbraw/zinc/37/27/45/175372745.db2.gz QVVVJBXITSZAPT-AWEZNQCLSA-N 1 0 258.406 2.341 10 0 CEAERO CC[NH2+][C@@](C)(CCC[N@H+](C)C(CC)CC)C(=O)[O-] ZINC000045391518 175374323 /nfs/dbraw/zinc/37/43/23/175374323.db2.gz NNKOWSIXSMEMFT-AWEZNQCLSA-N 1 0 258.406 2.340 10 0 CEAERO CCOC(=O)[C@@](C)(CCC[N@H+](C)C(CC)CC)NC ZINC000045391585 175374480 /nfs/dbraw/zinc/37/44/80/175374480.db2.gz MYAJXHLWZBAYEV-OAHLLOKOSA-N 1 0 272.433 2.428 10 0 CEAERO CCCN[C@@H](C[N@H+](C)[C@@H](C)CCC)C(=O)OCC ZINC000045394561 175376130 /nfs/dbraw/zinc/37/61/30/175376130.db2.gz UBDBGBRTKFJGBB-STQMWFEESA-N 1 0 258.406 2.038 10 0 CEAERO CCOC(=O)[C@](C)(CCC[N@H+](C)CC1CC1)NC(C)C ZINC000045419976 175377704 /nfs/dbraw/zinc/37/77/04/175377704.db2.gz CCRHJZJDIAOQQH-INIZCTEOSA-N 1 0 284.444 2.428 10 0 CEAERO CN1C[C@H](C[NH2+][C@@H](c2ccccc2)C2CC2)CC1=O ZINC000658238829 415270937 /nfs/dbraw/zinc/27/09/37/415270937.db2.gz JGEVZXRBAFSKDC-LRDDRELGSA-N 1 0 258.365 2.206 10 0 CEAERO CC[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1ccc(OC)cc1 ZINC000658243710 415279457 /nfs/dbraw/zinc/27/94/57/415279457.db2.gz GDHAWHQCFFSNHG-IUODEOHRSA-N 1 0 276.380 2.214 10 0 CEAERO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1ccc2c(c1)CCC2 ZINC000658246458 415282944 /nfs/dbraw/zinc/28/29/44/415282944.db2.gz ZYMULRCWWBSOHC-CHWSQXEVSA-N 1 0 272.392 2.304 10 0 CEAERO C[C@@]([NH3+])(C(=O)NCCc1ccccc1F)c1ccccc1 ZINC000052881098 175539790 /nfs/dbraw/zinc/53/97/90/175539790.db2.gz MDDYWLQIEBYBIS-KRWDZBQOSA-N 1 0 286.350 2.359 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)NCc1ccc(Cl)cc1 ZINC000054305807 175557297 /nfs/dbraw/zinc/55/72/97/175557297.db2.gz NZDFXJPJSYQCSV-LBPRGKRZSA-N 1 0 266.772 2.346 10 0 CEAERO C[C@H]([NH2+]C1CC(CO)C1)c1ccc(-n2ccnc2)cc1 ZINC000658351297 415333585 /nfs/dbraw/zinc/33/35/85/415333585.db2.gz MTNSIPBNBFGHQX-OPFPJEHXSA-N 1 0 271.364 2.294 10 0 CEAERO CN(C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CCC[NH2+]CC1 ZINC000659302593 415500175 /nfs/dbraw/zinc/50/01/75/415500175.db2.gz AKALUCWKFQOXLM-SYQHCUMBSA-N 1 0 250.386 2.023 10 0 CEAERO CCC(C)(C)[C@@H](C)NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000659339959 415528293 /nfs/dbraw/zinc/52/82/93/415528293.db2.gz OSVGCOHMMQWPKT-TZMCWYRMSA-N 1 0 262.397 2.497 10 0 CEAERO COc1ccccc1[C@@H]1C[NH2+]C[C@H]1NC(=O)OC(C)(C)C ZINC000068575229 175811163 /nfs/dbraw/zinc/81/11/63/175811163.db2.gz AZGMOUYTWMSTRT-QWHCGFSZSA-N 1 0 292.379 2.275 10 0 CEAERO CCCCOC[C@@H](O)C[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000656155785 415616700 /nfs/dbraw/zinc/61/67/00/415616700.db2.gz BSMSREHKKQOQAD-GJZGRUSLSA-N 1 0 285.428 2.245 10 0 CEAERO CC(C)[C@@H]1C[C@@](CN)([N@H+](C)CC2CCC2)CCO1 ZINC000070365942 175895466 /nfs/dbraw/zinc/89/54/66/175895466.db2.gz AXSJZRKAKZEGEZ-GJZGRUSLSA-N 1 0 254.418 2.251 10 0 CEAERO CC[C@@H]1C[C@](C[NH3+])(N(C)Cc2scnc2C)CCO1 ZINC000070366685 175896737 /nfs/dbraw/zinc/89/67/37/175896737.db2.gz ASKBILBDTYFTSY-TZMCWYRMSA-N 1 0 283.441 2.170 10 0 CEAERO CC[C@@H]([NH3+])[C@H](N1C[C@@H](C)S[C@@H](C)C1)C(F)(F)F ZINC000070382224 175902803 /nfs/dbraw/zinc/90/28/03/175902803.db2.gz IDEIHPMCFCEBBS-RGOKHQFPSA-N 1 0 270.364 2.480 10 0 CEAERO CC(C)[NH2+]Cc1cc(CN2C[C@@H](C)S[C@@H](C)C2)on1 ZINC000070386516 175904630 /nfs/dbraw/zinc/90/46/30/175904630.db2.gz WCMWEUFRFFHHIY-TXEJJXNPSA-N 1 0 283.441 2.498 10 0 CEAERO [NH3+]CCc1ccc(NC(=O)[C@H]2COc3ccccc32)cc1 ZINC000070389466 175906034 /nfs/dbraw/zinc/90/60/34/175906034.db2.gz YDDCDXPGQWDNIF-HNNXBMFYSA-N 1 0 282.343 2.303 10 0 CEAERO [NH3+]CCc1ccc(NC(=O)[C@@H]2COc3ccccc32)cc1 ZINC000070389465 175906071 /nfs/dbraw/zinc/90/60/71/175906071.db2.gz YDDCDXPGQWDNIF-OAHLLOKOSA-N 1 0 282.343 2.303 10 0 CEAERO CC[NH2+][C@@H](C)[C@@H](O)c1ccc(OC)c(OC(F)F)c1 ZINC000070398918 175909917 /nfs/dbraw/zinc/90/99/17/175909917.db2.gz UNJARHAJNCZLGE-QPUJVOFHSA-N 1 0 275.295 2.328 10 0 CEAERO COc1ccccc1[C@H](C[NH3+])n1cc(C(F)(F)F)cn1 ZINC000070466070 175946399 /nfs/dbraw/zinc/94/63/99/175946399.db2.gz CUFKRUPOCDLERF-NSHDSACASA-N 1 0 285.269 2.459 10 0 CEAERO C[C@H]1COc2ccc([C@@H](O)C3CC[NH2+]CC3)cc2OC1 ZINC000070510531 175960960 /nfs/dbraw/zinc/96/09/60/175960960.db2.gz YPLYQAQBERPBNE-ZBEGNZNMSA-N 1 0 277.364 2.127 10 0 CEAERO COc1ccc(OC[C@]([NH3+])(CO)C2CC2)c(C(C)(C)C)c1 ZINC000070518012 175966021 /nfs/dbraw/zinc/96/60/21/175966021.db2.gz HPRBDHMQZDBPSK-QGZVFWFLSA-N 1 0 293.407 2.471 10 0 CEAERO CCCC1(C(=O)N[C@H]2COc3ccccc32)CC[NH2+]CC1 ZINC000070530508 175972740 /nfs/dbraw/zinc/97/27/40/175972740.db2.gz BOOMTYINEJTTMR-AWEZNQCLSA-N 1 0 288.391 2.406 10 0 CEAERO [NH3+]CCc1ccc(C(=O)N[C@H]2COc3ccccc32)cc1 ZINC000070553194 175982236 /nfs/dbraw/zinc/98/22/36/175982236.db2.gz QQOXEROBHXZWJG-HNNXBMFYSA-N 1 0 282.343 2.051 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H](C(=O)N(CC(F)(F)F)C2CC2)C1 ZINC000070577884 175993373 /nfs/dbraw/zinc/99/33/73/175993373.db2.gz GECWIEKBYFOFNW-RKDXNWHRSA-N 1 0 264.291 2.057 10 0 CEAERO C[C@@H]([NH3+])Cc1nc(-c2cc(Br)cs2)no1 ZINC000070652547 175999698 /nfs/dbraw/zinc/99/96/98/175999698.db2.gz LWJWYIWSJZJFHG-RXMQYKEDSA-N 1 0 288.170 2.450 10 0 CEAERO CN1C(=O)CC[C@H]([NH3+])[C@H]1c1ccc(Br)s1 ZINC000070651126 175999936 /nfs/dbraw/zinc/99/99/36/175999936.db2.gz DIWXWUIIMCZYLR-WKEGUHRASA-N 1 0 289.198 2.131 10 0 CEAERO CCC[NH2+]C[C@@H](C)n1cc(I)cn1 ZINC000070678941 176000968 /nfs/dbraw/zinc/00/09/68/176000968.db2.gz WEVLFSPZZZSHDH-MRVPVSSYSA-N 1 0 293.152 2.048 10 0 CEAERO CN(C[C@H]1CC[N@H+](C)C1)c1ncccc1Br ZINC000070823926 176007645 /nfs/dbraw/zinc/00/76/45/176007645.db2.gz PIVUAVUFPSZCAD-JTQLQIEISA-N 1 0 284.201 2.232 10 0 CEAERO CCn1c(C[NH3+])nnc1SCc1cccs1 ZINC000070944848 176016509 /nfs/dbraw/zinc/01/65/09/176016509.db2.gz FAECSDBQHOFYCJ-UHFFFAOYSA-N 1 0 254.384 2.111 10 0 CEAERO [NH3+]CCN(C(=O)c1ccc2c(c1)COC2)C1CCCC1 ZINC000070943630 176016514 /nfs/dbraw/zinc/01/65/14/176016514.db2.gz FFYHZVLJOIEFGI-UHFFFAOYSA-N 1 0 274.364 2.060 10 0 CEAERO [NH3+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1cccc(F)c1F ZINC000070987546 176018590 /nfs/dbraw/zinc/01/85/90/176018590.db2.gz BQYQVDHAGYKEEA-RISCZKNCSA-N 1 0 266.291 2.118 10 0 CEAERO CC[NH2+][C@@H]1CCCN([C@H](C)c2cccc(F)c2)C1=O ZINC000071034945 176024696 /nfs/dbraw/zinc/02/46/96/176024696.db2.gz LFFWCPXTVOQUQN-BXUZGUMPSA-N 1 0 264.344 2.487 10 0 CEAERO Cc1ccccc1[C@@H](C)N1CC[C@@H]([NH2+]C2CC2)C1=O ZINC000071036950 176025853 /nfs/dbraw/zinc/02/58/53/176025853.db2.gz ZNRASNPQXYLETO-IUODEOHRSA-N 1 0 258.365 2.409 10 0 CEAERO CC(C)[NH2+][C@@H]1CCCN(C(C2CC2)C2CC2)C1=O ZINC000071037224 176026207 /nfs/dbraw/zinc/02/62/07/176026207.db2.gz ONXQKKKULLGPQK-CYBMUJFWSA-N 1 0 250.386 2.164 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCN1c1cccc2ncccc21 ZINC000071037555 176026739 /nfs/dbraw/zinc/02/67/39/176026739.db2.gz DKFWBRVCJPOHAS-AWEZNQCLSA-N 1 0 267.332 2.092 10 0 CEAERO CC(C)[NH2+][C@H]1CCN([C@@H]2CCc3ccccc3C2)C1=O ZINC000071041925 176027933 /nfs/dbraw/zinc/02/79/33/176027933.db2.gz GBYBLUOXTMDPRJ-CVEARBPZSA-N 1 0 272.392 2.143 10 0 CEAERO CC(C)[NH2+][C@H]1CCN([C@H]2CCc3ccccc3C2)C1=O ZINC000071041928 176028181 /nfs/dbraw/zinc/02/81/81/176028181.db2.gz GBYBLUOXTMDPRJ-HOTGVXAUSA-N 1 0 272.392 2.143 10 0 CEAERO CC(C)[NH2+][C@H]1CCN(CCc2cc(F)cc(F)c2)C1=O ZINC000071042432 176028488 /nfs/dbraw/zinc/02/84/88/176028488.db2.gz IGNXPUWNNSGMQX-AWEZNQCLSA-N 1 0 282.334 2.106 10 0 CEAERO CC[NH2+][C@H]1CCCN(c2cnc3ccccc3c2)C1=O ZINC000071042721 176028547 /nfs/dbraw/zinc/02/85/47/176028547.db2.gz QUOPVXWMVZOQDU-HNNXBMFYSA-N 1 0 269.348 2.340 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN([C@@H](C)c2ccsc2)C1=O ZINC000071042799 176029271 /nfs/dbraw/zinc/02/92/71/176029271.db2.gz ZOTQWIZBJQTYJV-CMPLNLGQSA-N 1 0 252.383 2.408 10 0 CEAERO C[C@H](C1CCCCC1)N1CC[C@@H]([NH2+]C2CC2)C1=O ZINC000071043103 176029427 /nfs/dbraw/zinc/02/94/27/176029427.db2.gz UCPVKZRFVKGTRQ-BXUZGUMPSA-N 1 0 250.386 2.308 10 0 CEAERO C[NH2+][C@H]1CCCN(CC[C@H]2CCC[C@@H](C)C2)C1=O ZINC000071044310 176029750 /nfs/dbraw/zinc/02/97/50/176029750.db2.gz CMRUJSACZKOUHP-MCIONIFRSA-N 1 0 252.402 2.413 10 0 CEAERO C[C@@H](Cc1cccs1)N1CC[C@@H]([NH2+]C2CC2)C1=O ZINC000071043803 176029796 /nfs/dbraw/zinc/02/97/96/176029796.db2.gz SEJBPTSSDCSBQC-GXFFZTMASA-N 1 0 264.394 2.032 10 0 CEAERO c1ccc2c(c1)CCO[C@H]2C[NH2+][C@H]1CCN(C2CC2)C1 ZINC000071090995 176031220 /nfs/dbraw/zinc/03/12/20/176031220.db2.gz KXRUZEGLUTYCGA-YOEHRIQHSA-N 1 0 272.392 2.127 10 0 CEAERO CC(C)C[NH2+]CCN(C)C[C@H]1OCCc2ccccc21 ZINC000071091634 176031937 /nfs/dbraw/zinc/03/19/37/176031937.db2.gz LOSZGJJMDLUOGP-QGZVFWFLSA-N 1 0 276.424 2.478 10 0 CEAERO C[C@H]([NH3+])Cc1nccn1C[C@H]1OCCc2ccccc21 ZINC000071099230 176033213 /nfs/dbraw/zinc/03/32/13/176033213.db2.gz JPUCSVTXMAMGGX-SWLSCSKDSA-N 1 0 271.364 2.087 10 0 CEAERO CCC[C@@H](C)[C@H]([NH3+])c1ccc2c(c1)C(=O)N(C)C(=O)C2 ZINC000071139397 176037825 /nfs/dbraw/zinc/03/78/25/176037825.db2.gz KZASRWSCBYCAKP-BMIGLBTASA-N 1 0 274.364 2.277 10 0 CEAERO C[NH2+]C[C@@H]1CCN(C(=O)c2cccc(OC(C)C)c2)C1 ZINC000071143026 176040778 /nfs/dbraw/zinc/04/07/78/176040778.db2.gz OGTXLXWYAIFTRH-ZDUSSCGKSA-N 1 0 276.380 2.155 10 0 CEAERO COCC[N@H+](CCC(N)=S)[C@H]1CCC[C@@H](C)C1 ZINC000071148212 176044264 /nfs/dbraw/zinc/04/42/64/176044264.db2.gz CZADAJKLHSCJQL-NEPJUHHUSA-N 1 0 258.431 2.190 10 0 CEAERO CC[C@H]1CCCC[C@@]1(C[NH3+])N(C)Cc1nccn1C ZINC000071162181 176046533 /nfs/dbraw/zinc/04/65/33/176046533.db2.gz DOCFDOHSQXWMTL-ZFWWWQNUSA-N 1 0 264.417 2.150 10 0 CEAERO [NH3+]Cc1nc(COc2cc(F)ccc2F)cs1 ZINC000071168785 176050167 /nfs/dbraw/zinc/05/01/67/176050167.db2.gz LLWOWNDZZLEJNP-UHFFFAOYSA-N 1 0 256.277 2.459 10 0 CEAERO CC(C)[NH2+]Cc1nnnn1-c1ccccc1C(C)(C)C ZINC000071175118 176054074 /nfs/dbraw/zinc/05/40/74/176054074.db2.gz WMWPFEJLOQJKLL-UHFFFAOYSA-N 1 0 273.384 2.458 10 0 CEAERO CCC[NH2+]Cc1cc(C)ccc1O[C@@H]1CCN(C)C1=O ZINC000071183238 176058386 /nfs/dbraw/zinc/05/83/86/176058386.db2.gz SKCJKFMGTDZKFN-OAHLLOKOSA-N 1 0 276.380 2.104 10 0 CEAERO CN(C[C@@H]1CC[N@H+](C)C1)c1ccc(Cl)cc1C[NH3+] ZINC000071187553 176060705 /nfs/dbraw/zinc/06/07/05/176060705.db2.gz ZHORSNIRNMAIKV-LLVKDONJSA-N 1 0 267.804 2.187 10 0 CEAERO CN(C[C@@H]1CC[N@H+](C)C1)c1ccc(F)cc1C=O ZINC000071189476 176064893 /nfs/dbraw/zinc/06/48/93/176064893.db2.gz AYTPIPPMQRRSDW-LLVKDONJSA-N 1 0 250.317 2.026 10 0 CEAERO CCC[NH2+][C@H]1CCCN(c2cnn(C(C)C)c2)C1 ZINC000071199680 176077030 /nfs/dbraw/zinc/07/70/30/176077030.db2.gz MDOCJXHHROKTJZ-ZDUSSCGKSA-N 1 0 250.390 2.432 10 0 CEAERO CC[NH2+][C@H]1CCCN(Cc2ccc(OC)c(OC)c2)C1 ZINC000071199113 176077074 /nfs/dbraw/zinc/07/70/74/176077074.db2.gz MRNAJIJTUHSSAL-AWEZNQCLSA-N 1 0 278.396 2.278 10 0 CEAERO CC(C)[NH2+][C@H]1CCCN(CCCCn2ccnc2)C1 ZINC000071200797 176077496 /nfs/dbraw/zinc/07/74/96/176077496.db2.gz QNXUBTPRVGYSIN-HNNXBMFYSA-N 1 0 264.417 2.126 10 0 CEAERO CCOC(=O)c1ncsc1NCCCC[NH+](C)C ZINC000071202086 176078342 /nfs/dbraw/zinc/07/83/42/176078342.db2.gz IVKIILUFOOMQEJ-UHFFFAOYSA-N 1 0 271.386 2.074 10 0 CEAERO Cc1ncsc1C[NH2+][C@@H](C)c1c(C)nc(C)[nH]c1=O ZINC000071212975 176084665 /nfs/dbraw/zinc/08/46/65/176084665.db2.gz MKTHPCHISRTMCM-QMMMGPOBSA-N 1 0 278.381 2.002 10 0 CEAERO COCC[N@H+](CCC(N)=S)Cc1cc(C)cc(C)c1 ZINC000071225833 176089861 /nfs/dbraw/zinc/08/98/61/176089861.db2.gz VCMSHWGYYQUHMY-UHFFFAOYSA-N 1 0 280.437 2.428 10 0 CEAERO [NH3+]Cc1cc(F)ccc1COC[C@@H]1CCCCO1 ZINC000071264176 176097533 /nfs/dbraw/zinc/09/75/33/176097533.db2.gz CGPRUBGPPIYHPE-AWEZNQCLSA-N 1 0 253.317 2.370 10 0 CEAERO C[N@H+](Cc1ccc(F)cc1C(N)=S)[C@H]1CCSC1 ZINC000071265766 176099340 /nfs/dbraw/zinc/09/93/40/176099340.db2.gz VGGWTTXTPITMFQ-NSHDSACASA-N 1 0 284.425 2.397 10 0 CEAERO COC1CC[NH+](Cc2ccc(F)cc2C(N)=S)CC1 ZINC000071265768 176099412 /nfs/dbraw/zinc/09/94/12/176099412.db2.gz WGGOEBFNQJLLQU-UHFFFAOYSA-N 1 0 282.384 2.071 10 0 CEAERO CCO[C@H]1CCC[N@H+](Cc2ccc(F)cc2C(N)=S)C1 ZINC000071266061 176100141 /nfs/dbraw/zinc/10/01/41/176100141.db2.gz FAOFNXURZJWVCW-ZDUSSCGKSA-N 1 0 296.411 2.461 10 0 CEAERO Cc1cc(SCc2ccc(F)cc2C(N)=[NH2+])n(C)n1 ZINC000071268453 176102368 /nfs/dbraw/zinc/10/23/68/176102368.db2.gz BOYVAKYUCYGELC-UHFFFAOYSA-N 1 0 278.356 2.444 10 0 CEAERO C[C@H](Cc1cccs1)[NH2+]C[C@H](O)COC(C)(C)C ZINC000071270585 176103780 /nfs/dbraw/zinc/10/37/80/176103780.db2.gz DLBWTTQJBXMJLI-NEPJUHHUSA-N 1 0 271.426 2.445 10 0 CEAERO CC(C)c1ccc([C@@H](O)C[NH2+]C[C@@H](O)C2CC2)cc1 ZINC000071306078 176115688 /nfs/dbraw/zinc/11/56/88/176115688.db2.gz JBURPOKGVZIXPC-JKSUJKDBSA-N 1 0 263.381 2.204 10 0 CEAERO COc1ccc(CC[C@H](C)N(C)[C@@H]2CC[NH2+]C2)cc1 ZINC000071309864 176116807 /nfs/dbraw/zinc/11/68/07/176116807.db2.gz GEMCGURKULVPFR-DZGCQCFKSA-N 1 0 262.397 2.310 10 0 CEAERO CCN(C(=O)[C@@H](C)Oc1cccc(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000071312460 176119366 /nfs/dbraw/zinc/11/93/66/176119366.db2.gz SBJLLYLOEJNOJI-YPMHNXCESA-N 1 0 296.798 2.318 10 0 CEAERO CCN(Cc1ccc2ccccc2n1)[C@H]1CC[NH2+]C1 ZINC000071314003 176120559 /nfs/dbraw/zinc/12/05/59/176120559.db2.gz JTDUYPKSFQLCTC-HNNXBMFYSA-N 1 0 255.365 2.419 10 0 CEAERO CCCN(CC(=O)N[C@@H](C)CCC(C)C)[C@@H]1CC[NH2+]C1 ZINC000071331707 176125234 /nfs/dbraw/zinc/12/52/34/176125234.db2.gz KGVRTGLXBJBTTE-LSDHHAIUSA-N 1 0 283.460 2.001 10 0 CEAERO CCCN(c1ccccc1S(=O)(=O)CC)[C@H]1CC[NH2+]C1 ZINC000071332802 176125959 /nfs/dbraw/zinc/12/59/59/176125959.db2.gz IBBLFJVWESIJGC-ZDUSSCGKSA-N 1 0 296.436 2.059 10 0 CEAERO Cc1ccccc1CC(=O)NC[C@@H]1[NH2+]CCC[C@H]1C ZINC000071338661 176128968 /nfs/dbraw/zinc/12/89/68/176128968.db2.gz RDQTYKIBTZHFFB-HIFRSBDPSA-N 1 0 260.381 2.042 10 0 CEAERO Cc1ccccc1CCC(=O)NC[C@H]1[NH2+]CCC[C@@H]1C ZINC000071338782 176129051 /nfs/dbraw/zinc/12/90/51/176129051.db2.gz QCJJTRPRMREEHL-GOEBONIOSA-N 1 0 274.408 2.432 10 0 CEAERO C[C@@H]1CCC[NH2+][C@@H]1CNC(=O)c1cccc(OC(F)F)c1 ZINC000071338740 176129095 /nfs/dbraw/zinc/12/90/95/176129095.db2.gz LMYQZOXPUKTUNC-ZWNOBZJWSA-N 1 0 298.333 2.406 10 0 CEAERO Cc1cc(C)c(C[N@@H+]2CCCN(CCO)CC2)c(C)c1 ZINC000071350457 176134049 /nfs/dbraw/zinc/13/40/49/176134049.db2.gz UEVNJDAROYRJSM-UHFFFAOYSA-N 1 0 276.424 2.112 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@H](CC(C)C)CN1CCn1cccn1 ZINC000071351758 176134992 /nfs/dbraw/zinc/13/49/92/176134992.db2.gz JEEDUURZJLANQQ-CVEARBPZSA-N 1 0 278.444 2.372 10 0 CEAERO CCC[C@H]1C[NH2+][C@H]([C@@H](C)CC)CN1Cc1cnn(C)c1 ZINC000071354704 176136579 /nfs/dbraw/zinc/13/65/79/176136579.db2.gz LGZCTAJGYUPDNN-BPUTZDHNSA-N 1 0 278.444 2.409 10 0 CEAERO CC[C@@H]1C[NH2+][C@@](C)(CC)CN1Cc1cccc(OC)n1 ZINC000071356644 176136769 /nfs/dbraw/zinc/13/67/69/176136769.db2.gz AZEMQHVGSUBTGH-ZBFHGGJFSA-N 1 0 277.412 2.443 10 0 CEAERO CC[C@]1(C)C[NH2+]C2(CCCC2)CN1Cc1cnn(C)c1 ZINC000071359064 176137160 /nfs/dbraw/zinc/13/71/60/176137160.db2.gz WSJNZPKKQIETQV-OAHLLOKOSA-N 1 0 276.428 2.307 10 0 CEAERO CC[C@@]1(C)CN(Cc2ncccn2)[C@H](C(C)(C)C)C[NH2+]1 ZINC000071357397 176137518 /nfs/dbraw/zinc/13/75/18/176137518.db2.gz GUUIQPUDPMISDK-BBRMVZONSA-N 1 0 276.428 2.465 10 0 CEAERO CSc1ccc(CSc2nnc(C[NH3+])n2C)cc1 ZINC000071373819 176138917 /nfs/dbraw/zinc/13/89/17/176138917.db2.gz XKVJDCPHYXTBGK-UHFFFAOYSA-N 1 0 280.422 2.288 10 0 CEAERO CCC(CC)(C(N)=S)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000071379224 176143705 /nfs/dbraw/zinc/14/37/05/176143705.db2.gz SOCLRQUCEZSSNE-UHFFFAOYSA-N 1 0 299.484 2.070 10 0 CEAERO Cc1ccc(N)c(C(=O)NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000071383258 176146536 /nfs/dbraw/zinc/14/65/36/176146536.db2.gz WGKOFHABYAIFGI-AGUYFDCRSA-N 1 0 287.407 2.180 10 0 CEAERO NC(=O)c1cc2ccccc2nc1N[C@H]1CCCC[C@@H]1[NH3+] ZINC000071386026 176147347 /nfs/dbraw/zinc/14/73/47/176147347.db2.gz LOXSOQDUECQRNB-JSGCOSHPSA-N 1 0 284.363 2.016 10 0 CEAERO C[C@@H](CNc1nc2ccccc2cc1C(N)=S)[NH+](C)C ZINC000071386857 176147782 /nfs/dbraw/zinc/14/77/82/176147782.db2.gz KWAIPFVDRGVMFI-JTQLQIEISA-N 1 0 288.420 2.231 10 0 CEAERO CCNC(=O)CCOc1ccc(C[NH3+])cc1C(F)(F)F ZINC000071398335 176151823 /nfs/dbraw/zinc/15/18/23/176151823.db2.gz FYVMOWQNGQXYPO-UHFFFAOYSA-N 1 0 290.285 2.069 10 0 CEAERO C[C@H](NC(=O)CC[C@H]([NH3+])c1ccccc1)[C@@H]1CCCO1 ZINC000071400441 176152658 /nfs/dbraw/zinc/15/26/58/176152658.db2.gz XIWZEWRSASWBFA-QEJZJMRPSA-N 1 0 276.380 2.150 10 0 CEAERO C[NH2+]Cc1cc(C)ccc1O[C@H](C)C(=O)N1CCCC1 ZINC000071403659 176154751 /nfs/dbraw/zinc/15/47/51/176154751.db2.gz MCHHFQKXQDXBNT-CYBMUJFWSA-N 1 0 276.380 2.104 10 0 CEAERO Cc1ccc(OC[C@@H]2CNC(=O)O2)c(C[NH2+]CC(C)C)c1 ZINC000071407263 176156156 /nfs/dbraw/zinc/15/61/56/176156156.db2.gz JPTODBLEDUMUKK-AWEZNQCLSA-N 1 0 292.379 2.228 10 0 CEAERO Cc1ccc(O[C@@H](C)C(=O)NCC(C)C)c(C[C@H](C)[NH3+])c1 ZINC000071411692 176157054 /nfs/dbraw/zinc/15/70/54/176157054.db2.gz ZGBCUOLGOIKELE-KBPBESRZSA-N 1 0 292.423 2.424 10 0 CEAERO Cc1ccc(O[C@H](C)C(=O)NC(C)C)c(C[C@H](C)[NH3+])c1 ZINC000071411714 176157099 /nfs/dbraw/zinc/15/70/99/176157099.db2.gz KYHKEUIPICGNBQ-QWHCGFSZSA-N 1 0 278.396 2.177 10 0 CEAERO Cc1ccc(O[C@H](C)C(=O)NC(C)(C)C)c(CC[NH3+])c1 ZINC000071411246 176157133 /nfs/dbraw/zinc/15/71/33/176157133.db2.gz YRXONSWMVJDLJW-GFCCVEGCSA-N 1 0 278.396 2.178 10 0 CEAERO Cc1ccc(OCc2cnn(C)c2)c(C[C@H](C)[NH3+])c1 ZINC000071411668 176157181 /nfs/dbraw/zinc/15/71/81/176157181.db2.gz HLWBMKHOAGHZBT-LBPRGKRZSA-N 1 0 259.353 2.197 10 0 CEAERO CCNC(=O)[C@@H](C)Oc1ccc(C)cc1C[C@H]([NH3+])CC ZINC000071412125 176157566 /nfs/dbraw/zinc/15/75/66/176157566.db2.gz MMZVIBDLFZPWEI-TZMCWYRMSA-N 1 0 278.396 2.178 10 0 CEAERO CCOC(=O)COc1ccc(C)cc1C[C@@H]([NH3+])CC ZINC000071412204 176157621 /nfs/dbraw/zinc/15/76/21/176157621.db2.gz CMBVIZXWOXDRTR-ZDUSSCGKSA-N 1 0 265.353 2.217 10 0 CEAERO COc1ccc(F)cc1[C@@](C)(O)[C@H]1CCC[NH2+]C1 ZINC000071574660 176201675 /nfs/dbraw/zinc/20/16/75/176201675.db2.gz DARRELMNQJDJDW-HZMBPMFUSA-N 1 0 253.317 2.041 10 0 CEAERO COc1cc(C[C@@H]([NH3+])C(C)C)cc(OC)c1OC ZINC000071574759 176201937 /nfs/dbraw/zinc/20/19/37/176201937.db2.gz IIQALAFJAWXCPV-LLVKDONJSA-N 1 0 253.342 2.238 10 0 CEAERO COc1ccc(CC2C[NH2+]C2)cc1Br ZINC000071577339 176206074 /nfs/dbraw/zinc/20/60/74/176206074.db2.gz MCQFYIRIYMXLIT-UHFFFAOYSA-N 1 0 256.143 2.220 10 0 CEAERO C[NH2+][C@H](CO)COc1ccc(-c2ccccc2)cc1 ZINC000071582472 176207269 /nfs/dbraw/zinc/20/72/69/176207269.db2.gz ARZFMZXMFWRVSL-OAHLLOKOSA-N 1 0 257.333 2.313 10 0 CEAERO O=C(c1cc(Br)cs1)[C@H]1CCC[NH2+]1 ZINC000071585912 176211958 /nfs/dbraw/zinc/21/19/58/176211958.db2.gz QAQSIYTWOGVAMS-SSDOTTSWSA-N 1 0 260.156 2.445 10 0 CEAERO [NH3+]Cc1ccc(-c2ccc(Br)s2)nn1 ZINC000071601253 176228176 /nfs/dbraw/zinc/22/81/76/176228176.db2.gz DQGODCOKXSERGP-UHFFFAOYSA-N 1 0 270.155 2.426 10 0 CEAERO COc1ccc([C@@H](O)[C@H]([NH3+])C(C)C)cc1Br ZINC000071644292 176239755 /nfs/dbraw/zinc/23/97/55/176239755.db2.gz PKPMKXCYDDKNRN-VXGBXAGGSA-N 1 0 288.185 2.474 10 0 CEAERO Cc1ccc(C[N@@H+]2CCC[C@](O)(CO)CC2)cc1C ZINC000072154104 176327816 /nfs/dbraw/zinc/32/78/16/176327816.db2.gz HIKOBVNEPHGJRL-MRXNPFEDSA-N 1 0 263.381 2.013 10 0 CEAERO [NH3+]CC12CC(C1)CN2c1cc(C(F)(F)F)ccn1 ZINC000656610528 415787296 /nfs/dbraw/zinc/78/72/96/415787296.db2.gz DEJDDDYXSPOVKW-UHFFFAOYSA-N 1 0 257.259 2.028 10 0 CEAERO CC[C@H]([NH2+]C)C(=O)N[C@@H](C)c1cc(C)ccc1OC ZINC000662355901 415798273 /nfs/dbraw/zinc/79/82/73/415798273.db2.gz NBCUGYXSOFMSTN-AAEUAGOBSA-N 1 0 264.369 2.179 10 0 CEAERO CO[C@H](CNC(=O)C[C@@H]([NH3+])C(C)C)C1CCCCC1 ZINC000662732518 415947368 /nfs/dbraw/zinc/94/73/68/415947368.db2.gz CTNRBKCUFIZGQC-ZIAGYGMSSA-N 1 0 270.417 2.071 10 0 CEAERO C[NH2+]CC(=O)N[C@@H](C)c1ccc(OC(C)C)c(F)c1 ZINC000076398993 177015822 /nfs/dbraw/zinc/01/58/22/177015822.db2.gz PTSYASITWLNKED-JTQLQIEISA-N 1 0 268.332 2.010 10 0 CEAERO Cc1cccc(CN(CC[NH3+])Cc2ccncc2)c1 ZINC000076660943 177048741 /nfs/dbraw/zinc/04/87/41/177048741.db2.gz CRUJMUJSPQQFCX-UHFFFAOYSA-N 1 0 255.365 2.351 10 0 CEAERO [NH3+]C[C@H](CC(=O)NCc1ccccc1)c1ccco1 ZINC000076665734 177050981 /nfs/dbraw/zinc/05/09/81/177050981.db2.gz HAALYLQIMWJMHY-ZDUSSCGKSA-N 1 0 258.321 2.028 10 0 CEAERO CC(=O)c1ccc(N(CC[NH3+])Cc2ccco2)cc1 ZINC000076666218 177051011 /nfs/dbraw/zinc/05/10/11/177051011.db2.gz VVDYFSFFTDIYMK-UHFFFAOYSA-N 1 0 258.321 2.448 10 0 CEAERO C[C@@H]1COC[C@@H](C)[NH+]1CCC(=O)Nc1ccc(F)cc1 ZINC000077366059 177257818 /nfs/dbraw/zinc/25/78/18/177257818.db2.gz WQGSZBKNHWCIRN-VXGBXAGGSA-N 1 0 280.343 2.264 10 0 CEAERO CCOc1ccc(NC(=O)C[NH2+]C(C)C)cc1C ZINC000077432151 177268101 /nfs/dbraw/zinc/26/81/01/177268101.db2.gz LNGIICWCJWFNIU-UHFFFAOYSA-N 1 0 250.342 2.330 10 0 CEAERO Cc1cc(C[NH2+]C[C@@H](O)C2CC2)c2ccccc2n1 ZINC000078739416 177379691 /nfs/dbraw/zinc/37/96/91/177379691.db2.gz JQPPMUFXUVNQMS-MRXNPFEDSA-N 1 0 256.349 2.404 10 0 CEAERO COc1cc2nc([C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3[NH3+])[nH]c2cc1OC ZINC000079558306 177519957 /nfs/dbraw/zinc/51/99/57/177519957.db2.gz LGABERIFIMPUSD-PPZCWDAYSA-N 1 0 287.363 2.421 10 0 CEAERO CC(C)[C@H](CC[NH3+])CCC(=O)NC[C@H](O)c1ccccc1 ZINC000079255033 177459282 /nfs/dbraw/zinc/45/92/82/177459282.db2.gz LCAAOMZGQGPNDR-HOCLYGCPSA-N 1 0 292.423 2.237 10 0 CEAERO C[C@]1(C(=O)Nc2cccc(N3CCCC3)c2)CCC[NH2+]1 ZINC000079516090 177512784 /nfs/dbraw/zinc/51/27/84/177512784.db2.gz YEHTVCVDUVWQNY-MRXNPFEDSA-N 1 0 273.380 2.367 10 0 CEAERO COc1ccc([C@@H](C)NC(=O)[C@@]2(C)CCC[NH2+]2)cc1OC ZINC000079545603 177518637 /nfs/dbraw/zinc/51/86/37/177518637.db2.gz CQGBKZIDUNUHNF-BDJLRTHQSA-N 1 0 292.379 2.023 10 0 CEAERO NC(=[NH2+])c1ccc(CNC(=O)NC2CCCCC2)cc1 ZINC000079777524 177556942 /nfs/dbraw/zinc/55/69/42/177556942.db2.gz LKYSNLNYKBDJPI-UHFFFAOYSA-N 1 0 274.368 2.103 10 0 CEAERO CC[C@@](C)(C[NH3+])NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000079868695 177572920 /nfs/dbraw/zinc/57/29/20/177572920.db2.gz ISASDXKRWJMJFZ-NTUGICLWSA-N 1 0 279.428 2.382 10 0 CEAERO CCC[NH2+]Cc1cc(=O)[nH]c(CCc2ccccc2)n1 ZINC000079940065 177584977 /nfs/dbraw/zinc/58/49/77/177584977.db2.gz SLSQTFXCQFCYHB-UHFFFAOYSA-N 1 0 271.364 2.055 10 0 CEAERO COCC[NH2+]CCc1c(C)nn(C2CCCC2)c1C ZINC000080065174 177604292 /nfs/dbraw/zinc/60/42/92/177604292.db2.gz XBESXEBIMQNVQM-UHFFFAOYSA-N 1 0 265.401 2.394 10 0 CEAERO C[NH2+]Cc1ccc2ccn(Cc3cnn(C)c3)c2c1 ZINC000080080873 177604978 /nfs/dbraw/zinc/60/49/78/177604978.db2.gz OJYLVGOYCNQDMJ-UHFFFAOYSA-N 1 0 254.337 2.143 10 0 CEAERO C[C@@H]1CCC[C@@H](C)C1NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000176006206 287376145 /nfs/dbraw/zinc/37/61/45/287376145.db2.gz NRBMQDWUEXTTBD-UPJWGTAASA-N 1 0 267.417 2.205 10 0 CEAERO Cc1cc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)n(C)n1 ZINC000418041574 227972867 /nfs/dbraw/zinc/97/28/67/227972867.db2.gz JYCGYSBPNVLQSB-CLLJXQQHSA-N 1 0 251.374 2.022 10 0 CEAERO C[C@@H]1C[C@@H](C)C[NH+](CCN2CCC[C@@H]2CCCO)C1 ZINC000318597325 419484681 /nfs/dbraw/zinc/48/46/81/419484681.db2.gz VCIHEVAMHROFAU-BZUAXINKSA-N 1 0 268.445 2.201 10 0 CEAERO Cc1ccccc1CCNC(=O)C1CCC([NH3+])CC1 ZINC000110375162 419424130 /nfs/dbraw/zinc/42/41/30/419424130.db2.gz LYUUZLLFNHLBNO-UHFFFAOYSA-N 1 0 260.381 2.171 10 0 CEAERO CC(C)NC(=O)c1ccc(NC(=O)C[C@@H]([NH3+])C(C)C)cc1 ZINC000136370209 419443327 /nfs/dbraw/zinc/44/33/27/419443327.db2.gz MUTMUJIUEFQIAJ-CQSZACIVSA-N 1 0 291.395 2.137 10 0 CEAERO Cc1nc2cc(NC(=O)C[C@H]([NH3+])C(C)C)ccc2[nH]1 ZINC000136355651 419445318 /nfs/dbraw/zinc/44/53/18/419445318.db2.gz QULVMHOAHIJAKH-NSHDSACASA-N 1 0 260.341 2.183 10 0 CEAERO CC(=O)Nc1cc(NC(=O)C[C@@H]([NH3+])C(C)C)ccc1C ZINC000136363153 419445507 /nfs/dbraw/zinc/44/55/07/419445507.db2.gz OVCULYKAJMEWRD-CYBMUJFWSA-N 1 0 277.368 2.265 10 0 CEAERO COc1ccccc1N(C)C(=O)C[C@H]([NH3+])C(C)C ZINC000136447563 419446672 /nfs/dbraw/zinc/44/66/72/419446672.db2.gz PLLFBQCADSLEJW-NSHDSACASA-N 1 0 250.342 2.031 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000136399481 419447974 /nfs/dbraw/zinc/44/79/74/419447974.db2.gz MAUCMPLPFOQMPU-LSDHHAIUSA-N 1 0 294.370 2.099 10 0 CEAERO COc1cc(F)ccc1NC(=O)C[C@H]([NH3+])C(C)C ZINC000136442198 419448151 /nfs/dbraw/zinc/44/81/51/419448151.db2.gz QCTDEHNOTPCGSW-JTQLQIEISA-N 1 0 254.305 2.146 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)NCCc1c[nH]c2ccccc12 ZINC000136433924 419448684 /nfs/dbraw/zinc/44/86/84/419448684.db2.gz USELYPAQIYMQLH-CQSZACIVSA-N 1 0 273.380 2.200 10 0 CEAERO O=C(OCc1ccccc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000091690539 260482299 /nfs/dbraw/zinc/48/22/99/260482299.db2.gz UTWLEEZMVYPFPN-MRXNPFEDSA-N 1 0 274.364 2.399 10 0 CEAERO COc1ccc2cccnc2c1N1CCC[NH2+]CC1 ZINC000095635514 260555884 /nfs/dbraw/zinc/55/58/84/260555884.db2.gz RZOLXBDAJYKMGS-UHFFFAOYSA-N 1 0 257.337 2.043 10 0 CEAERO Brc1ccc2c(c1)COC1(CC[NH2+]CC1)O2 ZINC000095830958 275712875 /nfs/dbraw/zinc/71/28/75/275712875.db2.gz QSCWHNHFKDAUST-UHFFFAOYSA-N 1 0 284.153 2.438 10 0 CEAERO Cc1scc(C(=O)N2CCCC[C@H]2C[NH3+])c1C ZINC000335543736 279288710 /nfs/dbraw/zinc/28/87/10/279288710.db2.gz ULPUPWFXANNDCH-NSHDSACASA-N 1 0 252.383 2.318 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCCOC1CCCC1 ZINC000193727794 270289074 /nfs/dbraw/zinc/28/90/74/270289074.db2.gz QSGWZWWHDUIZMQ-CQSZACIVSA-N 1 0 299.459 2.221 10 0 CEAERO CCN(CC(C)C)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000194176498 270293307 /nfs/dbraw/zinc/29/33/07/270293307.db2.gz ZDWWSXXPHSHUIU-CYBMUJFWSA-N 1 0 255.406 2.158 10 0 CEAERO CCCCOC[C@H](O)Cn1c(C)[nH+]c2c1CCCC2 ZINC000227908766 270312194 /nfs/dbraw/zinc/31/21/94/270312194.db2.gz KSKWMQLAQKQXIM-CYBMUJFWSA-N 1 0 266.385 2.248 10 0 CEAERO O[C@@H]1CC[C@H]2C[N@H+](Cc3ccncc3Cl)C[C@H]2C1 ZINC000398704199 270360939 /nfs/dbraw/zinc/36/09/39/270360939.db2.gz AKJTVEXCKVMJMI-CYZMBNFOSA-N 1 0 266.772 2.328 10 0 CEAERO COc1ccc(C[N@@H+]2C[C@H](O)CC[C@@H]2C)cc1F ZINC000399233489 270367603 /nfs/dbraw/zinc/36/76/03/270367603.db2.gz GUFJOJOVXAHIRO-CMPLNLGQSA-N 1 0 253.317 2.180 10 0 CEAERO CCOc1ccc(OCC[N@@H+]2C[C@H](O)CC[C@H]2C)cc1 ZINC000399386876 270369289 /nfs/dbraw/zinc/36/92/89/270369289.db2.gz BPNKOVRCQUAGEX-ZIAGYGMSSA-N 1 0 279.380 2.309 10 0 CEAERO C[C@H](Oc1ccccc1Cl)C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000423682821 270930811 /nfs/dbraw/zinc/93/08/11/270930811.db2.gz TXBCWJOAGMDPEJ-JBLDHEPKSA-N 1 0 282.771 2.055 10 0 CEAERO CC[C@H](NS(=O)(=O)c1ccc(C[NH2+]C)cc1)C(C)C ZINC000049147481 522680384 /nfs/dbraw/zinc/68/03/84/522680384.db2.gz LFOXWXSGUDNKQW-AWEZNQCLSA-N 1 0 284.425 2.119 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CSc3ccccc32)C1 ZINC000118330096 273817174 /nfs/dbraw/zinc/81/71/74/273817174.db2.gz XZAYIHJESMLHPM-WCQYABFASA-N 1 0 276.405 2.038 10 0 CEAERO C[C@@H]1CC[NH2+][C@H](C(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000126375966 274308993 /nfs/dbraw/zinc/30/89/93/274308993.db2.gz WOMIHCURSSHQDP-BNOWGMLFSA-N 1 0 274.364 2.015 10 0 CEAERO Cc1ccc(NC(=O)[C@@H]2CC[NH2+]C2)c2cccnc12 ZINC000062114109 274752488 /nfs/dbraw/zinc/75/24/88/274752488.db2.gz DICGPHAROQEFIS-LLVKDONJSA-N 1 0 255.321 2.091 10 0 CEAERO Cc1nc(N2C[C@@H](C)[NH2+]C[C@H]2C)ccc1Br ZINC000261534480 274842913 /nfs/dbraw/zinc/84/29/13/274842913.db2.gz RAGYDGSKJKTTCV-RKDXNWHRSA-N 1 0 284.201 2.339 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)NCc1ccccc1C(F)(F)F ZINC000085374530 274962368 /nfs/dbraw/zinc/96/23/68/274962368.db2.gz BLICLLYGITYDPU-JQWIXIFHSA-N 1 0 286.297 2.449 10 0 CEAERO CC(C)C[C@H]1CCCN(C(=O)[C@@H]([NH3+])C2CCOCC2)C1 ZINC000262177030 275917698 /nfs/dbraw/zinc/91/76/98/275917698.db2.gz YWCCBKQRFRVFFR-HIFRSBDPSA-N 1 0 282.428 2.025 10 0 CEAERO CCC[C@H](CCO)C[NH2+][C@H]1C[C@H](OCC)C12CCOCC2 ZINC000186366251 276041838 /nfs/dbraw/zinc/04/18/38/276041838.db2.gz YTKLXUFKWVCIIT-PMPSAXMXSA-N 1 0 299.455 2.349 10 0 CEAERO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC000247301923 276056964 /nfs/dbraw/zinc/05/69/64/276056964.db2.gz PEFJCRDJVXWHAA-JYJNAYRXSA-N 1 0 272.392 2.392 10 0 CEAERO C[NH2+][C@H]1CCCN(C(=O)CC2CCC(C)CC2)C1 ZINC000261775764 277041640 /nfs/dbraw/zinc/04/16/40/277041640.db2.gz RUMDSRUKEPQQPB-RUXDESIVSA-N 1 0 252.402 2.413 10 0 CEAERO C[NH2+]CCN(C)C(=O)c1ccc2c3c(cccc31)CC2 ZINC000263249563 277270245 /nfs/dbraw/zinc/27/02/45/277270245.db2.gz OJCIORSRJRGFBX-UHFFFAOYSA-N 1 0 268.360 2.230 10 0 CEAERO CSCC[C@@H]([NH3+])C(=O)N1Cc2ccccc2C(C)(C)C1 ZINC000262581458 277511595 /nfs/dbraw/zinc/51/15/95/277511595.db2.gz QXMZIDSHLBWFKH-CQSZACIVSA-N 1 0 292.448 2.387 10 0 CEAERO COc1ccc([C@H]([NH2+]C[C@@H]2CN(C)CCO2)C2CC2)cc1 ZINC000106388162 277934136 /nfs/dbraw/zinc/93/41/36/277934136.db2.gz DSURFNSAWGJXEP-IAGOWNOFSA-N 1 0 290.407 2.067 10 0 CEAERO CC(C)c1nc2c(n1C)CC[N@@H+]([C@H]1CCCC[C@@H]1O)C2 ZINC000121035333 278075757 /nfs/dbraw/zinc/07/57/57/278075757.db2.gz ARYMYSWRASESJH-GJZGRUSLSA-N 1 0 277.412 2.205 10 0 CEAERO C[C@H]([NH3+])[C@@H]1CCN(c2ncccc2C(F)(F)F)C1 ZINC000127309584 278228602 /nfs/dbraw/zinc/22/86/02/278228602.db2.gz PTOWELZZJZMSJS-DTWKUNHWSA-N 1 0 259.275 2.274 10 0 CEAERO C[C@@H]([NH3+])[C@H]1CCCN(c2nc3ccccc3n2C)C1 ZINC000079048714 278317716 /nfs/dbraw/zinc/31/77/16/278317716.db2.gz RFTGBYIENARVQS-NEPJUHHUSA-N 1 0 258.369 2.137 10 0 CEAERO CC1(C)CN(C(=O)c2c(F)cccc2F)CC[C@H]1[NH3+] ZINC000261586741 278319547 /nfs/dbraw/zinc/31/95/47/278319547.db2.gz JASHTMNYQKMIPQ-LLVKDONJSA-N 1 0 268.307 2.164 10 0 CEAERO CC(C)(C)OC(=O)NC[C@@]12C[NH2+]C[C@H]1CCCC2 ZINC000032625258 278433451 /nfs/dbraw/zinc/43/34/51/278433451.db2.gz OCBLBCHMNLRFCF-BXUZGUMPSA-N 1 0 254.374 2.291 10 0 CEAERO CC(C)(C)c1nsc(N[C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000089105733 278577558 /nfs/dbraw/zinc/57/75/58/278577558.db2.gz MSAZHEKUVWFLSE-RKDXNWHRSA-N 1 0 254.403 2.375 10 0 CEAERO CCCCOC[C@@H](O)C[NH+]1CCC(C(F)(F)F)CC1 ZINC000193251195 278711942 /nfs/dbraw/zinc/71/19/42/278711942.db2.gz DNVUOHAAAQOGMU-LBPRGKRZSA-N 1 0 283.334 2.438 10 0 CEAERO CC(C)CC1(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)CCCC1 ZINC000232564423 278739963 /nfs/dbraw/zinc/73/99/63/278739963.db2.gz LUGNXBWGEWSBNK-OLZOCXBDSA-N 1 0 252.402 2.399 10 0 CEAERO Cc1ccc(C(=O)N2CC[C@H]([NH3+])[C@H]2C)c(Br)c1 ZINC000261562779 278787573 /nfs/dbraw/zinc/78/75/73/278787573.db2.gz WPDBLPBZGIYHOO-SKDRFNHKSA-N 1 0 297.196 2.319 10 0 CEAERO Cc1ccc(OCC(=O)N2CCCC[C@H]2C[NH3+])c(C)c1 ZINC000237693636 278836657 /nfs/dbraw/zinc/83/66/57/278836657.db2.gz IBRACCRSBPUGPO-AWEZNQCLSA-N 1 0 276.380 2.022 10 0 CEAERO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCS2(=O)=O)CC(C)(C)C1 ZINC000251721243 278920494 /nfs/dbraw/zinc/92/04/94/278920494.db2.gz CAAUGOLSCKASQT-JHJVBQTASA-N 1 0 273.442 2.368 10 0 CEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000282129112 279028583 /nfs/dbraw/zinc/02/85/83/279028583.db2.gz BIBHQXMRJSAPDI-FZZIBODNSA-N 1 0 262.328 2.070 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+][C@H](C)C2CCCC2)C1 ZINC000263503257 279059825 /nfs/dbraw/zinc/05/98/25/279059825.db2.gz LGXHPWBUGUFQNA-LMWSTFAQSA-N 1 0 268.401 2.092 10 0 CEAERO CC(C)C[C@H](C)C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000184837969 279081844 /nfs/dbraw/zinc/08/18/44/279081844.db2.gz MKJCUBKJVLCEKC-LSDHHAIUSA-N 1 0 298.471 2.220 10 0 CEAERO CC(C)C[C@H](C)NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000133672936 279108502 /nfs/dbraw/zinc/10/85/02/279108502.db2.gz CIVFNLRCAMFCHV-BFHYXJOUSA-N 1 0 267.417 2.299 10 0 CEAERO CC(C)C[C@H](C)OCCC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000193643890 279116490 /nfs/dbraw/zinc/11/64/90/279116490.db2.gz GOSZDHPOHFMYRS-IHRRRGAJSA-N 1 0 270.417 2.084 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1csc(NC(C)=O)n1 ZINC000175349499 279327947 /nfs/dbraw/zinc/32/79/47/279327947.db2.gz YQQJPOMKXNFBTF-ZDUSSCGKSA-N 1 0 296.440 2.018 10 0 CEAERO C[C@H](C[NH2+][C@H]1CCCc2ccccc21)N1CCOCC1 ZINC000123485236 279352981 /nfs/dbraw/zinc/35/29/81/279352981.db2.gz LWUILIVHXSJHNE-PBHICJAKSA-N 1 0 274.408 2.374 10 0 CEAERO C[C@H]1CCN(c2ncnc3ccsc32)C[C@@H]1C[NH3+] ZINC000164011781 279731950 /nfs/dbraw/zinc/73/19/50/279731950.db2.gz YFCGIUUATGAIPG-UWVGGRQHSA-N 1 0 262.382 2.112 10 0 CEAERO CC[C@@](C)(O)C[NH+]1CCN(C(=O)CC2CCCCC2)CC1 ZINC000123495342 279792910 /nfs/dbraw/zinc/79/29/10/279792910.db2.gz ALFRFHJEUYABRG-QGZVFWFLSA-N 1 0 296.455 2.262 10 0 CEAERO C[C@H](C[NH3+])Nc1ccnc2cc(Br)cnc21 ZINC000128361794 279885884 /nfs/dbraw/zinc/88/58/84/279885884.db2.gz IDTGGXXTUOUALG-SSDOTTSWSA-N 1 0 281.157 2.151 10 0 CEAERO C[C@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)c1c(F)cccc1F ZINC000134602342 280026918 /nfs/dbraw/zinc/02/69/18/280026918.db2.gz DMRSGSIJHFUKCU-WDEREUQCSA-N 1 0 282.334 2.231 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CCc2ccc(F)cc21 ZINC000235611767 280044295 /nfs/dbraw/zinc/04/42/95/280044295.db2.gz TZTVSVKBCNBAPR-MFKMUULPSA-N 1 0 262.328 2.103 10 0 CEAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1CCCF ZINC000151135386 280089359 /nfs/dbraw/zinc/08/93/59/280089359.db2.gz NFMQZFJJKVENKF-NSHDSACASA-N 1 0 260.353 2.335 10 0 CEAERO C[C@H](c1cnccn1)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000184567022 280117358 /nfs/dbraw/zinc/11/73/58/280117358.db2.gz ODGSCFJVIYYMNV-ZIAGYGMSSA-N 1 0 283.379 2.367 10 0 CEAERO Cc1cc(C)c(C[N@@H+]2CCCNC(=O)[C@@H]2C)cc1C ZINC000189081824 280142644 /nfs/dbraw/zinc/14/26/44/280142644.db2.gz RESFXRCWAGTZGR-AWEZNQCLSA-N 1 0 260.381 2.322 10 0 CEAERO CCc1cccc(CN2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c1 ZINC000189157965 280144657 /nfs/dbraw/zinc/14/46/57/280144657.db2.gz NGXZBYYIYUJZTE-HUUCEWRRSA-N 1 0 276.424 2.136 10 0 CEAERO CC(C)[C@H](C)NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247090064 280219170 /nfs/dbraw/zinc/21/91/70/280219170.db2.gz NXKLBKGNICHNNZ-MELADBBJSA-N 1 0 267.417 2.157 10 0 CEAERO Cc1c(C[NH2+][C@@H]2CCc3c2cccc3O)cnn1C ZINC000162006917 280227259 /nfs/dbraw/zinc/22/72/59/280227259.db2.gz IJRFUYJRFWSZIF-CQSZACIVSA-N 1 0 257.337 2.211 10 0 CEAERO CCC[C@H](C(=O)NC[C@@H]1CCCO[C@H]1C(C)C)[NH+](C)C ZINC000245769382 280260390 /nfs/dbraw/zinc/26/03/90/280260390.db2.gz KDUHTDLIOARKRV-ZNMIVQPWSA-N 1 0 284.444 2.284 10 0 CEAERO CCNc1ncc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)s1 ZINC000245906040 280265410 /nfs/dbraw/zinc/26/54/10/280265410.db2.gz AZDRCYOAOXMLKJ-GHMZBOCLSA-N 1 0 296.440 2.033 10 0 CEAERO CC1(C)CCCC[C@H]1NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246553448 280300712 /nfs/dbraw/zinc/30/07/12/280300712.db2.gz MTTQPPIBHBDFKB-UONOGXRCSA-N 1 0 279.428 2.445 10 0 CEAERO CCCCOC[C@H](O)C[N@H+](C)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000248645258 280357150 /nfs/dbraw/zinc/35/71/50/280357150.db2.gz GEOPOHQSYXVJHG-RBSFLKMASA-N 1 0 287.444 2.299 10 0 CEAERO Cc1cc(C(=O)N[C@H]2CCCC[C@@H]2[NH3+])c(F)cc1F ZINC000137335641 280359087 /nfs/dbraw/zinc/35/90/87/280359087.db2.gz FMOYUAXRQQLBCO-STQMWFEESA-N 1 0 268.307 2.273 10 0 CEAERO C[C@H](C1CC1)[NH+](C[C@H]1CCCO1)C[C@H]1CCCO1 ZINC000248762235 280363769 /nfs/dbraw/zinc/36/37/69/280363769.db2.gz MLVGVTSJSAVVOM-BPLDGKMQSA-N 1 0 253.386 2.445 10 0 CEAERO CC[C@@H]1CN(C(=O)C[C@H]2CCC[C@@H]2C)CC[N@@H+]1CCOC ZINC000248982787 280377553 /nfs/dbraw/zinc/37/75/53/280377553.db2.gz JGUNFFSBCAGEPL-ARFHVFGLSA-N 1 0 296.455 2.382 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)CSC)C12CCOCC2 ZINC000249006866 280379539 /nfs/dbraw/zinc/37/95/39/280379539.db2.gz NZBCKPVTWNDLGP-JHJVBQTASA-N 1 0 273.442 2.302 10 0 CEAERO COc1ccc([C@H](C)N[C@H]2CCC[NH2+][C@@H]2C)c(OC)c1 ZINC000396586140 280674740 /nfs/dbraw/zinc/67/47/40/280674740.db2.gz VBQSROAPZGINTP-ZOWXZIJZSA-N 1 0 278.396 2.495 10 0 CEAERO CC(C)OCc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)cc1 ZINC000423650756 281073964 /nfs/dbraw/zinc/07/39/64/281073964.db2.gz UYKLPQDBJYPHGN-SWLSCSKDSA-N 1 0 276.380 2.173 10 0 CEAERO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CCc2ncnn2C1 ZINC000180598617 281078768 /nfs/dbraw/zinc/07/87/68/281078768.db2.gz RXVVYRLWKWJXPT-HIFRSBDPSA-N 1 0 298.390 2.405 10 0 CEAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CCOCC(F)(F)F ZINC000252661357 288298507 /nfs/dbraw/zinc/29/85/07/288298507.db2.gz IUDHUKUHCBPHOW-NEPJUHHUSA-N 1 0 280.334 2.124 10 0 CEAERO Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CN(C)CCO1)CCC2 ZINC000180492725 281120218 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CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@]1(C)CCCS1 ZINC000153372049 289111723 /nfs/dbraw/zinc/11/17/23/289111723.db2.gz PSPTZDXYOQNJIA-HIFRSBDPSA-N 1 0 299.484 2.398 10 0 CEAERO O=C(NCc1cc2ccccc2o1)[C@H]1CCC[NH2+]C1 ZINC000154572200 289149871 /nfs/dbraw/zinc/14/98/71/289149871.db2.gz KOQNXSSOTHJXOT-LBPRGKRZSA-N 1 0 258.321 2.049 10 0 CEAERO CCC[C@@H](C(=O)NCC1(CCOC)CCC1)[NH+](C)C ZINC000154843356 289156323 /nfs/dbraw/zinc/15/63/23/289156323.db2.gz IAEFWCQAOUMBPF-ZDUSSCGKSA-N 1 0 270.417 2.040 10 0 CEAERO C[C@@H]1CN(CCC[N@@H+]2CCS[C@@H](C)C2)CCS1 ZINC000157902771 289224609 /nfs/dbraw/zinc/22/46/09/289224609.db2.gz ZQLDJBAMDDRNMC-BETUJISGSA-N 1 0 274.499 2.251 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)NCc1cccc2cccnc21 ZINC000159330713 289250949 /nfs/dbraw/zinc/25/09/49/289250949.db2.gz SXIZSHUBWASQQL-ZDUSSCGKSA-N 1 0 283.375 2.241 10 0 CEAERO Cc1nc2ccccc2nc1N1C[C@H](C)[NH2+]C[C@H]1C ZINC000251288089 293485391 /nfs/dbraw/zinc/48/53/91/293485391.db2.gz YKEPOXYLMRNLLR-WDEREUQCSA-N 1 0 256.353 2.125 10 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NVKQNFFUMGEGOT-VXGBXAGGSA-N 1 0 283.466 2.233 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)CCc2ccc3[nH]ccc3c2)C1 ZINC000180335265 312766689 /nfs/dbraw/zinc/76/66/89/312766689.db2.gz FTZMNAFQJSIGBN-OAHLLOKOSA-N 1 0 285.391 2.263 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2c[nH]c3cc(F)ccc23)C1 ZINC000192935978 321798827 /nfs/dbraw/zinc/79/88/27/321798827.db2.gz XZQXQINVZHGOOA-LLVKDONJSA-N 1 0 275.327 2.083 10 0 CEAERO CC(C)(C)c1ccnc(N[C@@H](CC[NH3+])C(F)F)n1 ZINC000383568170 321848839 /nfs/dbraw/zinc/84/88/39/321848839.db2.gz WJHPPMRVFWENHD-QMMMGPOBSA-N 1 0 258.316 2.169 10 0 CEAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1nc2ccccc2s1 ZINC000392915019 329065763 /nfs/dbraw/zinc/06/57/63/329065763.db2.gz VEMVSTZLAHXRAS-ZJUUUORDSA-N 1 0 275.377 2.053 10 0 CEAERO CC(C)Oc1cncc(NCC2([NH3+])CCCCC2)n1 ZINC000394043811 329095874 /nfs/dbraw/zinc/09/58/74/329095874.db2.gz BCZAPUFPVGRNAJ-UHFFFAOYSA-N 1 0 264.373 2.337 10 0 CEAERO O=C(N1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccccc2)C1)C(F)(F)F ZINC000306497771 333007388 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/nfs/dbraw/zinc/90/56/88/519905688.db2.gz KGJBQYPIQOSFGP-LBPRGKRZSA-N 1 0 278.396 2.131 10 0 CEAERO CCC[NH2+]C1CCN(Cc2nc(C)cs2)CC1 ZINC000049533926 519906406 /nfs/dbraw/zinc/90/64/06/519906406.db2.gz ZYWJHTDMBKQFDD-UHFFFAOYSA-N 1 0 253.415 2.416 10 0 CEAERO CCC[NH2+]CCOc1ccc(C(F)(F)F)cc1C(N)=O ZINC000051869222 519918349 /nfs/dbraw/zinc/91/83/49/519918349.db2.gz VCOLXWICYMSHOB-UHFFFAOYSA-N 1 0 290.285 2.183 10 0 CEAERO CC[NH2+]CCCN1C(=O)NC2(CCCCCCC2)C1=O ZINC000048784685 519918927 /nfs/dbraw/zinc/91/89/27/519918927.db2.gz ZSYTZEJMNOOYRK-UHFFFAOYSA-N 1 0 281.400 2.021 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000061228660 519931493 /nfs/dbraw/zinc/93/14/93/519931493.db2.gz CPKJBQDQNMMCAW-LLVKDONJSA-N 1 0 252.333 2.030 10 0 CEAERO CCC[NH2+]Cc1cccc(OC)c1O[C@H]1CCOC1 ZINC000070071650 519953423 /nfs/dbraw/zinc/95/34/23/519953423.db2.gz MUONUGNGZAAVFT-ZDUSSCGKSA-N 1 0 265.353 2.363 10 0 CEAERO CC[NH2+]C[C@@H]1CC[C@@H](Cn2ccc(C(F)(F)F)n2)O1 ZINC000052592646 519953580 /nfs/dbraw/zinc/95/35/80/519953580.db2.gz RDAOBSODQNJQRX-UWVGGRQHSA-N 1 0 277.290 2.059 10 0 CEAERO CCC[NH2+]Cc1ccnc(N(C)C2CCOCC2)c1 ZINC000051446703 519960675 /nfs/dbraw/zinc/96/06/75/519960675.db2.gz LCZJYIKDNUEUDG-UHFFFAOYSA-N 1 0 263.385 2.196 10 0 CEAERO CCC[NH2+]Cc1nnnn1-c1ccc(Cl)c(Cl)c1 ZINC000054744217 519970261 /nfs/dbraw/zinc/97/02/61/519970261.db2.gz KOUIXESHKBGDGL-UHFFFAOYSA-N 1 0 286.166 2.469 10 0 CEAERO CCC[NH2+][C@@H](C)[C@@H](C)S(=O)(=O)c1ccccc1 ZINC000061702908 519986625 /nfs/dbraw/zinc/98/66/25/519986625.db2.gz BHIXTRWZTBIFJG-NWDGAFQWSA-N 1 0 255.383 2.237 10 0 CEAERO CC[NH2+]Cc1ccc(OC)c(OC[C@@H](O)C(F)(F)F)c1 ZINC000068876252 519998064 /nfs/dbraw/zinc/99/80/64/519998064.db2.gz QFPRGJMDMZJBBD-GFCCVEGCSA-N 1 0 293.285 2.107 10 0 CEAERO CC[NH2+]Cc1cnc(Cc2ccc(OC)cc2)nc1 ZINC000054855756 520015275 /nfs/dbraw/zinc/01/52/75/520015275.db2.gz SUZPFBBCEQMQAK-UHFFFAOYSA-N 1 0 257.337 2.186 10 0 CEAERO CC[NH2+]Cc1nnnn1[C@@H](CC)C1CCCCC1 ZINC000054746857 520027042 /nfs/dbraw/zinc/02/70/42/520027042.db2.gz HXSPKSGCURNGNT-LBPRGKRZSA-N 1 0 251.378 2.314 10 0 CEAERO CCC[NH2+][C@H](CCSc1ccccc1C)C(N)=O ZINC000062600728 520081021 /nfs/dbraw/zinc/08/10/21/520081021.db2.gz BEKKUJFHIYIKRI-GFCCVEGCSA-N 1 0 266.410 2.331 10 0 CEAERO CCCN[C@](C)(C[C@@H](C)[N@H+](CC1CC1)C(C)C)C(N)=O ZINC000068637868 520108930 /nfs/dbraw/zinc/10/89/30/520108930.db2.gz RSVNYLXKPSASMJ-CZUORRHYSA-N 1 0 283.460 2.129 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N[C@@H]1CCc2ccccc2C1 ZINC000061274665 520166745 /nfs/dbraw/zinc/16/67/45/520166745.db2.gz SWGDFBARXRODMX-IUODEOHRSA-N 1 0 260.381 2.048 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N[C@@H](C)c1cc(C)oc1C ZINC000061274423 520167076 /nfs/dbraw/zinc/16/70/76/520167076.db2.gz DPQQEMKRSIMWGY-KOLCDFICSA-N 1 0 252.358 2.462 10 0 CEAERO CC[NH2+][C@H](CCOc1ccccc1C(C)C)C(N)=O ZINC000062550855 520192284 /nfs/dbraw/zinc/19/22/84/520192284.db2.gz AVZFVQPDIKWKHH-CYBMUJFWSA-N 1 0 264.369 2.042 10 0 CEAERO CCOc1ccc(C)cc1[C@H]([NH3+])CCC(=O)OC ZINC000051599858 520927602 /nfs/dbraw/zinc/92/76/02/520927602.db2.gz BSGGGCYXVKLOOY-GFCCVEGCSA-N 1 0 251.326 2.347 10 0 CEAERO CCC[C@H]([NH3+])[C@H](CC)S(=O)(=O)c1ccccc1 ZINC000061702548 521121019 /nfs/dbraw/zinc/12/10/19/521121019.db2.gz WBHOZLYUJJXKGL-STQMWFEESA-N 1 0 255.383 2.366 10 0 CEAERO CCN(CCOC)c1nc(C)c([C@@H](C)[NH2+]C)s1 ZINC000054908227 521140213 /nfs/dbraw/zinc/14/02/13/521140213.db2.gz RFTJOYQOYGFSIC-SECBINFHSA-N 1 0 257.403 2.205 10 0 CEAERO CCN(Cc1cc(C[NH3+])oc1C)CC(F)(F)F ZINC000052503105 521289810 /nfs/dbraw/zinc/28/98/10/521289810.db2.gz SNVNOHCPRJQGBT-UHFFFAOYSA-N 1 0 250.264 2.431 10 0 CEAERO CCC(C)(C)[N@H+](C)Cc1cccnc1C(N)=S ZINC000069433788 521304249 /nfs/dbraw/zinc/30/42/49/521304249.db2.gz GPAHUMXPASVCHU-UHFFFAOYSA-N 1 0 251.399 2.336 10 0 CEAERO CCCc1nc(CN2[C@@H](C)C[NH2+]C[C@@H]2C)cs1 ZINC000069134452 521515474 /nfs/dbraw/zinc/51/54/74/521515474.db2.gz XFYCGJAQMLXQAH-QWRGUYRKSA-N 1 0 253.415 2.278 10 0 CEAERO CCC[N@H+](CCCC(=O)NC)C1(CN)CCCCCC1 ZINC000068817280 521652279 /nfs/dbraw/zinc/65/22/79/521652279.db2.gz POIKIUWAJNITGV-UHFFFAOYSA-N 1 0 283.460 2.276 10 0 CEAERO CN(C)CC[NH2+]CCn1cc(Cl)c2ccccc21 ZINC000055310838 521789011 /nfs/dbraw/zinc/78/90/11/521789011.db2.gz DBPXIUVPBOBBHS-UHFFFAOYSA-N 1 0 265.788 2.446 10 0 CEAERO C[NH2+][C@@H](Cc1cnn(C)c1)Cc1cc(F)cc(F)c1 ZINC000050543094 522361510 /nfs/dbraw/zinc/36/15/10/522361510.db2.gz RWEAFXFXJATANV-CQSZACIVSA-N 1 0 265.307 2.072 10 0 CEAERO C[NH2+][C@H](C)c1cnn([C@@H]2CCCCC[C@@H]2O)c1C ZINC000054600539 522454482 /nfs/dbraw/zinc/45/44/82/522454482.db2.gz NHFFRVMLEPTGKN-HONMWMINSA-N 1 0 251.374 2.338 10 0 CEAERO C[NH2+][C@H](CS(=O)(=O)c1ccccc1)C(C)(C)C ZINC000061702748 522470040 /nfs/dbraw/zinc/47/00/40/522470040.db2.gz BFOZDVAJOVVGHA-GFCCVEGCSA-N 1 0 255.383 2.094 10 0 CEAERO CC[C@@H](C[NH2+]C)n1nc(C)c(Br)c1C ZINC000052573803 522545223 /nfs/dbraw/zinc/54/52/23/522545223.db2.gz ZNZLWLKZJHJZKV-VIFPVBQESA-N 1 0 260.179 2.433 10 0 CEAERO CC(C)OCCOC[C@H](O)C[NH2+]CC1CCC(C)CC1 ZINC000058864617 517450183 /nfs/dbraw/zinc/45/01/83/517450183.db2.gz WNEQIJWLBICITF-UYSNPLJNSA-N 1 0 287.444 2.205 10 0 CEAERO CCCN1C(=O)C[C@H]([NH3+])[C@H]1c1ccc2ncccc2c1 ZINC000070293377 517583875 /nfs/dbraw/zinc/58/38/75/517583875.db2.gz NNLKNHSNVTUHCB-XJKSGUPXSA-N 1 0 269.348 2.246 10 0 CEAERO C(CN1CC[C@@H]2CCCC[C@@H]2C1)[NH2+]C1CCOCC1 ZINC000062767715 518391324 /nfs/dbraw/zinc/39/13/24/518391324.db2.gz BCNYNLCASHFWSR-LSDHHAIUSA-N 1 0 266.429 2.267 10 0 CEAERO C(C[NH2+]C1CC1)Cc1nnc(CC[C@@H]2CCCCO2)o1 ZINC000069403853 518391431 /nfs/dbraw/zinc/39/14/31/518391431.db2.gz HIHFNMCVGCCYTB-ZDUSSCGKSA-N 1 0 279.384 2.256 10 0 CEAERO CC(C)(C)C1CCC(C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000054667613 518602659 /nfs/dbraw/zinc/60/26/59/518602659.db2.gz HTWHORTZBAIWQB-RUXDESIVSA-N 1 0 282.428 2.025 10 0 CEAERO CC(C)(C)[NH+]1CCN(CC(=O)c2cccc(F)c2)CC1 ZINC000048945997 518711466 /nfs/dbraw/zinc/71/14/66/518711466.db2.gz SZAJYVXRKRKLGD-UHFFFAOYSA-N 1 0 278.371 2.425 10 0 CEAERO CC(C)(C)[NH+]1CCN(c2n[nH]c(=S)n2C2CC2)CC1 ZINC000048946087 518714135 /nfs/dbraw/zinc/71/41/35/518714135.db2.gz KAIYYKXOVYSIAT-UHFFFAOYSA-N 1 0 281.429 2.196 10 0 CEAERO CC(C)(C)NC(=O)[C@@H](C[NH3+])Cc1cccc2cccnc21 ZINC000069500512 518744883 /nfs/dbraw/zinc/74/48/83/518744883.db2.gz LJJRXZPVACVSCK-CQSZACIVSA-N 1 0 285.391 2.267 10 0 CEAERO CC(C)(C)[NH2+]CCCc1nnc([C@@H]2CCCOC2)o1 ZINC000062243884 518757878 /nfs/dbraw/zinc/75/78/78/518757878.db2.gz DHPCSSFZAWTHAK-LLVKDONJSA-N 1 0 267.373 2.284 10 0 CEAERO CC(C)(C)[NH2+]Cc1cc(F)ccc1N1CCS(=O)CC1 ZINC000062737402 518764565 /nfs/dbraw/zinc/76/45/65/518764565.db2.gz XBGAKHOBFZDURQ-UHFFFAOYSA-N 1 0 298.427 2.283 10 0 CEAERO CC(C)(C)[NH2+]Cc1cc(Cn2cc(Cl)cn2)on1 ZINC000052577181 518764998 /nfs/dbraw/zinc/76/49/98/518764998.db2.gz KSQYFAKUZJWSNC-UHFFFAOYSA-N 1 0 268.748 2.461 10 0 CEAERO CC(C)(C)[NH2+]Cc1ccccc1OC[C@@H]1CNC(=O)O1 ZINC000062729290 518766703 /nfs/dbraw/zinc/76/67/03/518766703.db2.gz LXEUDHTYPPEGCP-LBPRGKRZSA-N 1 0 278.352 2.062 10 0 CEAERO CC(C)(C)c1nnc(CN2CCC[C@@H]2[C@@H]2CCC[NH2+]2)o1 ZINC000051360022 519121589 /nfs/dbraw/zinc/12/15/89/519121589.db2.gz KXIHLZYFOFPTPA-NWDGAFQWSA-N 1 0 278.400 2.084 10 0 CEAERO CC(C)([NH3+])CCc1nc2cc(Br)cnc2[nH]1 ZINC000050196347 519298702 /nfs/dbraw/zinc/29/87/02/519298702.db2.gz JAGNALNAQIEIRJ-UHFFFAOYSA-N 1 0 283.173 2.390 10 0 CEAERO CC(C)C[C@H](CN(C)C)[NH2+]CC1(O)CCCCC1 ZINC000049555650 519339354 /nfs/dbraw/zinc/33/93/54/519339354.db2.gz XMAXDGPLSATSTN-CQSZACIVSA-N 1 0 256.434 2.248 10 0 CEAERO CC(C)C[C@H]([NH3+])[C@@H](O)c1ccc2c(c1)OCCCO2 ZINC000054929361 519369305 /nfs/dbraw/zinc/36/93/05/519369305.db2.gz IISYFEAEAPHJIO-WFASDCNBSA-N 1 0 265.353 2.255 10 0 CEAERO CC(C)C[C@H]([NH3+])[C@@H](O)c1cc2c(c(Cl)c1)OCO2 ZINC000054929325 519370172 /nfs/dbraw/zinc/37/01/72/519370172.db2.gz PXSIECXPFQCTOA-JQWIXIFHSA-N 1 0 271.744 2.476 10 0 CEAERO CC(C)[N@@H+](CCCC(=O)[O-])CCC[NH+]1CCCC1 ZINC000049333865 519642489 /nfs/dbraw/zinc/64/24/89/519642489.db2.gz IESOSCLNDOSLSV-UHFFFAOYSA-N 1 0 256.390 2.048 10 0 CEAERO CC(C)N(Cc1ccccn1)C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000062857350 519659020 /nfs/dbraw/zinc/65/90/20/519659020.db2.gz RWHYLWBJGZKRDA-MRXNPFEDSA-N 1 0 275.396 2.208 10 0 CEAERO CC(C)NC(=O)CCOc1cc(F)ccc1[C@H](C)[NH3+] ZINC000062745473 519704261 /nfs/dbraw/zinc/70/42/61/519704261.db2.gz YOSLSNICEDSQNX-JTQLQIEISA-N 1 0 268.332 2.139 10 0 CEAERO CC(C)CN1CC[NH+]([C@@H]2C[C@@H](C(C)C)CC[C@@H]2O)CC1 ZINC000055080835 519728094 /nfs/dbraw/zinc/72/80/94/519728094.db2.gz NLOYSWIVXNNSEF-BBWFWOEESA-N 1 0 282.472 2.446 10 0 CEAERO CC(C)[NH2+]Cc1nnnn1-c1ccc(C(C)(C)C)cc1 ZINC000054744676 519729546 /nfs/dbraw/zinc/72/95/46/519729546.db2.gz ZYIHLUTYSYIAHG-UHFFFAOYSA-N 1 0 273.384 2.458 10 0 CEAERO CC(=O)Nc1ccc([C@@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000054686143 519733688 /nfs/dbraw/zinc/73/36/88/519733688.db2.gz CUOPHOSRJHFRES-DLBZAZTESA-N 1 0 284.359 2.248 10 0 CEAERO CC(C)[NH2+][C@](C)(CCOC1CCCCCC1)C(N)=O ZINC000045464976 519739549 /nfs/dbraw/zinc/73/95/49/519739549.db2.gz UGPDLIKKFBGOME-OAHLLOKOSA-N 1 0 270.417 2.358 10 0 CEAERO CC(C)C[NH2+]CC1CCN(c2ncnc3c2CCC3)CC1 ZINC000061278215 519743121 /nfs/dbraw/zinc/74/31/21/519743121.db2.gz DXFGHCKAUCSTLX-UHFFFAOYSA-N 1 0 288.439 2.427 10 0 CEAERO CC(C)C[NH2+]CCCOc1cccc(S(C)(=O)=O)c1 ZINC000052701505 519743544 /nfs/dbraw/zinc/74/35/44/519743544.db2.gz FLVUTXNTHOJYNU-UHFFFAOYSA-N 1 0 285.409 2.105 10 0 CEAERO CC(C)C[NH2+]C[C@H](CCS(C)(=O)=O)CC(C)C ZINC000052968839 519745953 /nfs/dbraw/zinc/74/59/53/519745953.db2.gz LKESUYAAZITPSG-CYBMUJFWSA-N 1 0 263.447 2.329 10 0 CEAERO CC(C)C[NH2+]Cc1ccc(O[C@@H](C)C(=O)N(C)C)cc1 ZINC000062728891 519747350 /nfs/dbraw/zinc/74/73/50/519747350.db2.gz PYKVWBDQASYHPG-ZDUSSCGKSA-N 1 0 278.396 2.288 10 0 CEAERO CC(C)OCCN1C[C@@H](C)[NH2+]C[C@H]1Cc1ccccc1 ZINC000062670211 519766597 /nfs/dbraw/zinc/76/65/97/519766597.db2.gz WLXDKIIQSDWIOA-NVXWUHKLSA-N 1 0 276.424 2.316 10 0 CEAERO CC(C)OC[C@H](O)COc1ccc(CC[C@@H](C)[NH3+])cc1 ZINC000070099263 519774279 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CC(C)c1ccc(S(=O)(=O)N2[C@@H](C)C[NH2+]C[C@@H]2C)cc1 ZINC000069133796 519838568 /nfs/dbraw/zinc/83/85/68/519838568.db2.gz UEEZPZJSKJXNCX-STQMWFEESA-N 1 0 296.436 2.181 10 0 CEAERO CCC[NH+]1CCN(Cc2nc(NC)ccc2Cl)CC1 ZINC000061630614 519858967 /nfs/dbraw/zinc/85/89/67/519858967.db2.gz YCPTYSJJTUHZIL-UHFFFAOYSA-N 1 0 282.819 2.304 10 0 CEAERO CCCC(=O)Nc1ccc(NC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000066152660 519878335 /nfs/dbraw/zinc/87/83/35/519878335.db2.gz VOTATIOEYPBCDY-LBPRGKRZSA-N 1 0 289.379 2.363 10 0 CEAERO CCCC1CC[NH+](CC[C@@H]([NH2+]C2CC2)C(=O)[O-])CC1 ZINC000062531128 519901653 /nfs/dbraw/zinc/90/16/53/519901653.db2.gz IBHGISXOWYGWMB-CQSZACIVSA-N 1 0 268.401 2.094 10 0 CEAERO CCCC1CC[NH+](C[C@@](NC)(C(=O)OC)C2CC2)CC1 ZINC000069231653 519902026 /nfs/dbraw/zinc/90/20/26/519902026.db2.gz YWGOBGUDAGELHS-INIZCTEOSA-N 1 0 282.428 2.040 10 0 CEAERO CCCC1CC[NH+](C[C@](N)(C(=O)OCC)C2CC2)CC1 ZINC000069231662 519902087 /nfs/dbraw/zinc/90/20/87/519902087.db2.gz NSBDBUUUGVWTQZ-MRXNPFEDSA-N 1 0 282.428 2.169 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N(C)c1cccc(OC)c1 ZINC000061299310 519903448 /nfs/dbraw/zinc/90/34/48/519903448.db2.gz PPWUCUMOEWJMTK-UHFFFAOYSA-N 1 0 250.342 2.046 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000061293389 519903951 /nfs/dbraw/zinc/90/39/51/519903951.db2.gz ZNOKBVHNHPNTCT-SECBINFHSA-N 1 0 266.307 2.175 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N1CCC[C@@H]1c1ccncc1 ZINC000061289579 519904039 /nfs/dbraw/zinc/90/40/39/519904039.db2.gz IDANPOUGQGZFNP-CYBMUJFWSA-N 1 0 261.369 2.133 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N[C@H](C)c1cccc(F)c1 ZINC000061298562 519905990 /nfs/dbraw/zinc/90/59/90/519905990.db2.gz VKFRNJSZCPTOEW-SNVBAGLBSA-N 1 0 252.333 2.391 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N[C@H](C)c1ccccc1F ZINC000061293430 519906184 /nfs/dbraw/zinc/90/61/84/519906184.db2.gz VJFQUBHTPHWGMB-SNVBAGLBSA-N 1 0 252.333 2.391 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1ccc(F)cc1OC ZINC000061299096 519906787 /nfs/dbraw/zinc/90/67/87/519906787.db2.gz NHZCBTGBTHGKIP-UHFFFAOYSA-N 1 0 254.305 2.161 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1cccc(-n2cccn2)c1 ZINC000061290184 519907171 /nfs/dbraw/zinc/90/71/71/519907171.db2.gz PRQYQDNCQPCBTD-UHFFFAOYSA-N 1 0 272.352 2.199 10 0 CEAERO CC[NH2+]C1CCN(c2ccc(N3CCOCC3)cc2)CC1 ZINC000062996549 519909745 /nfs/dbraw/zinc/90/97/45/519909745.db2.gz NBGGZBRQRRAFCB-UHFFFAOYSA-N 1 0 289.423 2.102 10 0 CEAERO CCC[NH2+]CCCN1C(=O)C(=O)c2cc(C)cc(F)c21 ZINC000048785532 519912286 /nfs/dbraw/zinc/91/22/86/519912286.db2.gz LWGKROIVQZGAQO-UHFFFAOYSA-N 1 0 278.327 2.053 10 0 CEAERO CC[NH2+]CCC(=O)N(CC)Cc1cccc(F)c1 ZINC000061294211 519915357 /nfs/dbraw/zinc/91/53/57/519915357.db2.gz JJBWVUYSUIKOKX-UHFFFAOYSA-N 1 0 252.333 2.174 10 0 CEAERO CC[NH2+]CCC(=O)N[C@@H](C)c1ccccc1OC(F)F ZINC000061292333 519916885 /nfs/dbraw/zinc/91/68/85/519916885.db2.gz OLGCHQUJBKDYHE-JTQLQIEISA-N 1 0 286.322 2.465 10 0 CEAERO CC[NH2+]CCC(=O)N[C@@H]1CCSc2ccccc21 ZINC000061290190 519917125 /nfs/dbraw/zinc/91/71/25/519917125.db2.gz XXKKFRUUSXZLCH-GFCCVEGCSA-N 1 0 264.394 2.339 10 0 CEAERO CC[NH2+]CCC(=O)Nc1ccccc1C(=O)N[C@H](C)CC ZINC000061287973 519918632 /nfs/dbraw/zinc/91/86/32/519918632.db2.gz HLMNMNXWDGSBKM-GFCCVEGCSA-N 1 0 291.395 2.153 10 0 CEAERO CCC[NH2+]CCc1c(C)nc(N(CC)CC)nc1C ZINC000054853770 519919575 /nfs/dbraw/zinc/91/95/75/519919575.db2.gz CFABQNVMISFVRV-UHFFFAOYSA-N 1 0 264.417 2.482 10 0 CEAERO CC(C)n1c(S[C@H](c2ccsc2)[C@@H](C)[NH3+])n[nH]c1=O ZINC000061595198 519923874 /nfs/dbraw/zinc/92/38/74/519923874.db2.gz TZPIMGUSIGLDTO-SCZZXKLOSA-N 1 0 298.437 2.394 10 0 CEAERO CCC[NH2+]C[C@@H]1CC[C@@H](CN(C)Cc2cscn2)O1 ZINC000052503877 519924311 /nfs/dbraw/zinc/92/43/11/519924311.db2.gz QMLWBZZHMVCEOK-KBPBESRZSA-N 1 0 283.441 2.122 10 0 CEAERO CC(C)n1c(Sc2ccc(F)cc2[C@H](C)[NH3+])n[nH]c1=O ZINC000061595930 519924601 /nfs/dbraw/zinc/92/46/01/519924601.db2.gz OVUPAVCPLRMMJP-QMMMGPOBSA-N 1 0 296.371 2.462 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N(CC)Cc1ccc(OC)c(F)c1 ZINC000061235414 519932862 /nfs/dbraw/zinc/93/28/62/519932862.db2.gz BDYRXTQCKLCGME-GFCCVEGCSA-N 1 0 296.386 2.428 10 0 CEAERO CCC[NH2+]C[C@H](OCCOC)c1cccc(OC)c1 ZINC000050496006 519935092 /nfs/dbraw/zinc/93/50/92/519935092.db2.gz MYHUCTWHZGQPQX-HNNXBMFYSA-N 1 0 267.369 2.399 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N[C@@H](C)c1cc(F)ccc1OC ZINC000061233630 519937213 /nfs/dbraw/zinc/93/72/13/519937213.db2.gz USIXHTGOJVIIOO-MNOVXSKESA-N 1 0 282.359 2.257 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000061230873 519939485 /nfs/dbraw/zinc/93/94/85/519939485.db2.gz FKDXUHDVTFVEBH-SECBINFHSA-N 1 0 298.770 2.295 10 0 CEAERO CCC[NH2+]C[C@](C)(O)c1ccc2c(c1)OCCCO2 ZINC000055032969 519940976 /nfs/dbraw/zinc/94/09/76/519940976.db2.gz NTOXLGKQZAQCGD-HNNXBMFYSA-N 1 0 265.353 2.055 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccccc1COC ZINC000061231008 519942785 /nfs/dbraw/zinc/94/27/85/519942785.db2.gz HRQOKFKBXZJCIC-LLVKDONJSA-N 1 0 250.342 2.017 10 0 CEAERO CC[NH2+]C[C@@H](C)CN1CCN(c2ccccc2F)CC1 ZINC000052374686 519943063 /nfs/dbraw/zinc/94/30/63/519943063.db2.gz PTYDOUREOYZNAX-CQSZACIVSA-N 1 0 279.403 2.193 10 0 CEAERO CCC[NH2+]Cc1c(C)nn(Cc2cnn(CC)c2)c1C ZINC000050541321 519943112 /nfs/dbraw/zinc/94/31/12/519943112.db2.gz DWNOYCDSZUJZID-UHFFFAOYSA-N 1 0 275.400 2.264 10 0 CEAERO CC[NH2+]C[C@@H](C)c1nnc2ccc(C(F)(F)F)cn21 ZINC000061219756 519945354 /nfs/dbraw/zinc/94/53/54/519945354.db2.gz KSFLIVGGEXGYAM-MRVPVSSYSA-N 1 0 272.274 2.461 10 0 CEAERO CC[NH2+]C[C@@H](CCCS(C)(=O)=O)Cc1ccccc1 ZINC000063018122 519946474 /nfs/dbraw/zinc/94/64/74/519946474.db2.gz BBUVHDUVRZHLDU-HNNXBMFYSA-N 1 0 283.437 2.280 10 0 CEAERO CC[NH2+]C[C@@H](OC[C@@H]1CCOC1)c1cccc(OC)c1 ZINC000050501809 519947324 /nfs/dbraw/zinc/94/73/24/519947324.db2.gz LEJABZJSZNKJHK-CZUORRHYSA-N 1 0 279.380 2.399 10 0 CEAERO CCC[NH2+]Cc1ccc(CN2CCOC[C@@H]2C)cc1 ZINC000052476043 519948322 /nfs/dbraw/zinc/94/83/22/519948322.db2.gz RPAXHMKQTOBGIV-AWEZNQCLSA-N 1 0 262.397 2.407 10 0 CEAERO CC[NH2+]C[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1 ZINC000053011115 519951364 /nfs/dbraw/zinc/95/13/64/519951364.db2.gz BQKQINCZUXLFJB-LBPRGKRZSA-N 1 0 264.369 2.140 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N(Cc1ccco1)C1CC1 ZINC000061236004 519960836 /nfs/dbraw/zinc/96/08/36/519960836.db2.gz RNVSLAHZLGSPLA-NSHDSACASA-N 1 0 250.342 2.016 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000061231547 519965931 /nfs/dbraw/zinc/96/59/31/519965931.db2.gz GANFKXUUYHBZLR-LBPRGKRZSA-N 1 0 272.352 2.056 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccccc1-n1ccnc1 ZINC000061230785 519968684 /nfs/dbraw/zinc/96/86/84/519968684.db2.gz MAYQTWGPGXRUPY-LBPRGKRZSA-N 1 0 272.352 2.056 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1nc(C2CC2)cs1 ZINC000061267758 519969668 /nfs/dbraw/zinc/96/96/68/519969668.db2.gz IRXJOUYJSITRBO-QMMMGPOBSA-N 1 0 253.371 2.205 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000061228946 519970074 /nfs/dbraw/zinc/97/00/74/519970074.db2.gz SJARQKXHZUVLRA-VIFPVBQESA-N 1 0 272.295 2.472 10 0 CEAERO CC[NH2+]C[C@H](C)c1nc(COc2ccccc2)no1 ZINC000061220873 519971782 /nfs/dbraw/zinc/97/17/82/519971782.db2.gz REMVOHUUWGNKCS-NSHDSACASA-N 1 0 261.325 2.362 10 0 CEAERO CC[NH2+]C[C@H](c1ccccc1)N1CCC(OC)CC1 ZINC000052455486 519975179 /nfs/dbraw/zinc/97/51/79/519975179.db2.gz RWBQLAAGPLXJMO-MRXNPFEDSA-N 1 0 262.397 2.448 10 0 CEAERO CC[NH2+]C[C@H]1CC[C@H](CN(CC(F)(F)F)C2CC2)O1 ZINC000052503616 519980400 /nfs/dbraw/zinc/98/04/00/519980400.db2.gz OBJKZCMLXHNRDA-VXGBXAGGSA-N 1 0 280.334 2.170 10 0 CEAERO CC[NH2+]C[C@H]1CC[C@H](COc2ccc(F)cc2)O1 ZINC000052667898 519981665 /nfs/dbraw/zinc/98/16/65/519981665.db2.gz IXRREJOLUFAQDS-ZIAGYGMSSA-N 1 0 253.317 2.362 10 0 CEAERO CC[NH2+]Cc1c(C)nc(Cc2cccnc2)nc1C ZINC000054854107 519983359 /nfs/dbraw/zinc/98/33/59/519983359.db2.gz JYNFEVKILMLSQK-UHFFFAOYSA-N 1 0 256.353 2.189 10 0 CEAERO CCC[NH2+][C@@H](C(N)=O)c1cccc(OCCC)c1 ZINC000052921452 519984913 /nfs/dbraw/zinc/98/49/13/519984913.db2.gz KZCKPYMQYMQGSD-CYBMUJFWSA-N 1 0 250.342 2.001 10 0 CEAERO CCC[NH2+][C@@H](CC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000061838914 519990667 /nfs/dbraw/zinc/99/06/67/519990667.db2.gz VEQVHDSDZPASGI-NEPJUHHUSA-N 1 0 261.431 2.226 10 0 CEAERO CC[NH2+]Cc1cc2ccccc2nc1N1CCC[C@@H](O)C1 ZINC000048965547 519994040 /nfs/dbraw/zinc/99/40/40/519994040.db2.gz OWHMXCMXXDYPGG-OAHLLOKOSA-N 1 0 285.391 2.305 10 0 CEAERO c1nc2ccccc2n1COCC[NH2+]Cc1ccccc1 ZINC000111360320 534460904 /nfs/dbraw/zinc/46/09/04/534460904.db2.gz WGDQRVUQFPHVSK-UHFFFAOYSA-O 1 0 282.367 2.219 10 0 CEAERO CC[NH2+]Cc1cccc(CN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000052380249 520003479 /nfs/dbraw/zinc/00/34/79/520003479.db2.gz LSGXTKAMCNKZDO-ZIAGYGMSSA-N 1 0 262.397 2.405 10 0 CEAERO CC[NH2+]Cc1nc(C(C)C)ncc1N1CCCO[C@@H](C)C1 ZINC000061935239 520020268 /nfs/dbraw/zinc/02/02/68/520020268.db2.gz VSTVKOCPMBEGLM-ZDUSSCGKSA-N 1 0 292.427 2.325 10 0 CEAERO CCC[NH2+][C@@H]1CCCc2cc(OC[C@@H](O)COC)ccc21 ZINC000069053746 520022038 /nfs/dbraw/zinc/02/20/38/520022038.db2.gz GLKIFFMAIQLMFT-WMLDXEAASA-N 1 0 293.407 2.450 10 0 CEAERO CCC[NH2+][C@@H]1COc2cc(O[C@@H](C)C(=O)OCC)ccc21 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CCCN[C@@](C[N@H+](CC)C(C)C)(C(=O)OCC)C1CC1 ZINC000069097136 520050566 /nfs/dbraw/zinc/05/05/66/520050566.db2.gz UGVXVGWGAVCOIF-MRXNPFEDSA-N 1 0 284.444 2.428 10 0 CEAERO CCOCC[C@]1(C[NH2+]CCOC)C[C@H]2CC[C@@H]1C2 ZINC000054639304 520069327 /nfs/dbraw/zinc/06/93/27/520069327.db2.gz JYWATCXDOMMQTA-RRFJBIMHSA-N 1 0 255.402 2.455 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1cccc(OCCOC)c1 ZINC000061271569 520071046 /nfs/dbraw/zinc/07/10/46/520071046.db2.gz TVGYESDQOJVLIP-LBPRGKRZSA-N 1 0 280.368 2.038 10 0 CEAERO CC[NH2+][C@@H](C)Cc1nc(Cc2cccs2)no1 ZINC000061213120 520073269 /nfs/dbraw/zinc/07/32/69/520073269.db2.gz WVMOIVZXUMPHPG-VIFPVBQESA-N 1 0 251.355 2.262 10 0 CEAERO CC[NH2+][C@@H](C)c1cc(F)ccc1-n1ccc(C(=O)NC)n1 ZINC000070328170 520074163 /nfs/dbraw/zinc/07/41/63/520074163.db2.gz CQIMKVUCCLSZJX-JTQLQIEISA-N 1 0 290.342 2.042 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(C)cc1OC[C@@H](O)COC ZINC000069054006 520074637 /nfs/dbraw/zinc/07/46/37/520074637.db2.gz YLTVIGFKSGGMED-STQMWFEESA-N 1 0 267.369 2.052 10 0 CEAERO CC[NH2+][C@@H](C)c1cc(Cl)ccc1OC[C@H](O)COC ZINC000069053762 520074987 /nfs/dbraw/zinc/07/49/87/520074987.db2.gz HVTDVFDRWFXNDI-CMPLNLGQSA-N 1 0 287.787 2.397 10 0 CEAERO CC[NH2+][C@@H](C)c1cccc(NC(=O)N2CCC[C@H]2CO)c1 ZINC000048866264 520077734 /nfs/dbraw/zinc/07/77/34/520077734.db2.gz KQLUHUOLBPYPGP-WFASDCNBSA-N 1 0 291.395 2.346 10 0 CEAERO CCN(C(=O)c1ccc(OC)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000061668682 520088635 /nfs/dbraw/zinc/08/86/35/520088635.db2.gz ZCFMGSJBPPVGTK-GFCCVEGCSA-N 1 0 280.343 2.048 10 0 CEAERO CCC[NH2+][C@H]1CCc2c1cccc2OCC(=O)NCC ZINC000062800049 520098700 /nfs/dbraw/zinc/09/87/00/520098700.db2.gz DLJFRTNRAKOPQX-AWEZNQCLSA-N 1 0 276.380 2.188 10 0 CEAERO CC[NH2+][C@@H](CN1CCN(C)C1=O)c1ccccc1OCC ZINC000052885542 520099630 /nfs/dbraw/zinc/09/96/30/520099630.db2.gz UMZRYJALWAKJCB-AWEZNQCLSA-N 1 0 291.395 2.103 10 0 CEAERO CC[NH2+][C@@H](Cc1ccc(OC)cc1)c1ccnn1C ZINC000069467592 520104101 /nfs/dbraw/zinc/10/41/01/520104101.db2.gz OANNQSOIFBKWTN-AWEZNQCLSA-N 1 0 259.353 2.322 10 0 CEAERO CC[NH2+][C@@H](Cc1cnn(C)c1)c1ccc(OC)c(OC)c1 ZINC000050542311 520105942 /nfs/dbraw/zinc/10/59/42/520105942.db2.gz PUZXAKZBTJXWLU-AWEZNQCLSA-N 1 0 289.379 2.331 10 0 CEAERO CCC[NH2+][C@](C)(CCO[C@H]1CCCC[C@@H]1C)C(N)=O ZINC000045477707 520108236 /nfs/dbraw/zinc/10/82/36/520108236.db2.gz IYXBLBCKFGLDDH-KCQAQPDRSA-N 1 0 270.417 2.215 10 0 CEAERO CC[NH2+][C@@H](c1ccccc1CC)[C@H]1CCS(=O)(=O)C1 ZINC000052201602 520114290 /nfs/dbraw/zinc/11/42/90/520114290.db2.gz OKESJWSZHUVVLF-DZGCQCFKSA-N 1 0 281.421 2.334 10 0 CEAERO CC(C)n1nccc1NC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050939384 520116752 /nfs/dbraw/zinc/11/67/52/520116752.db2.gz PTIXYXGYVVXGMX-LBPRGKRZSA-N 1 0 264.373 2.325 10 0 CEAERO CC[NH2+][C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1=O ZINC000061626942 520118729 /nfs/dbraw/zinc/11/87/29/520118729.db2.gz MSRQRHIORVGIPD-GFCCVEGCSA-N 1 0 286.297 2.416 10 0 CEAERO CC[NH2+][C@@H]1COc2cc(O[C@H](C)C(=O)NC(C)C)ccc21 ZINC000062804847 520124011 /nfs/dbraw/zinc/12/40/11/520124011.db2.gz IVCXPPOILIHSJE-BXUZGUMPSA-N 1 0 292.379 2.022 10 0 CEAERO CC(C)n1nccc1NC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000061610706 520124454 /nfs/dbraw/zinc/12/44/54/520124454.db2.gz OPDRULUXRYTQTP-ZDUSSCGKSA-N 1 0 272.352 2.145 10 0 CEAERO CCCNc1cc(CN2CCC[C@H]2C[NH+](C)C)ccn1 ZINC000061653244 520136818 /nfs/dbraw/zinc/13/68/18/520136818.db2.gz GVMFFMCJTPNTOH-HNNXBMFYSA-N 1 0 276.428 2.430 10 0 CEAERO CCN(C(CC)(CC)C[NH3+])S(=O)(=O)c1ccccc1 ZINC000050093697 520138288 /nfs/dbraw/zinc/13/82/88/520138288.db2.gz ZGUZHGFVANMZFT-UHFFFAOYSA-N 1 0 284.425 2.215 10 0 CEAERO CCCCC[N@H+](CC[C@@H](NC)C(=O)OCC)C(C)C ZINC000062463094 520174547 /nfs/dbraw/zinc/17/45/47/520174547.db2.gz FJOMVQNLSIMQPA-CQSZACIVSA-N 1 0 272.433 2.428 10 0 CEAERO CCCNc1ccc(C[N@H+](CC)CCOC)cn1 ZINC000050816669 520154562 /nfs/dbraw/zinc/15/45/62/520154562.db2.gz CCYCWAQXEZKKGD-UHFFFAOYSA-N 1 0 251.374 2.372 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N[C@@H](C)c1cc(F)ccc1OC ZINC000061271185 520166944 /nfs/dbraw/zinc/16/69/44/520166944.db2.gz ZCNVUSGBQDVPTH-MNOVXSKESA-N 1 0 282.359 2.400 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N[C@H](C)Cc1c(F)cccc1F ZINC000061271553 520167447 /nfs/dbraw/zinc/16/74/47/520167447.db2.gz RIUFNZJHSWPKSU-GHMZBOCLSA-N 1 0 284.350 2.400 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1cc(F)cc(F)c1F ZINC000061274868 520168907 /nfs/dbraw/zinc/16/89/07/520168907.db2.gz LSGCUKVMSMRWNH-SSDOTTSWSA-N 1 0 260.259 2.431 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1ccc(OC)c(F)c1 ZINC000061269545 520169723 /nfs/dbraw/zinc/16/97/23/520169723.db2.gz XEQLDKUGBZPIGD-SECBINFHSA-N 1 0 254.305 2.161 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(-n2ccc(C(=O)NC)n2)c(F)c1 ZINC000070328156 520176057 /nfs/dbraw/zinc/17/60/57/520176057.db2.gz DGESWAQHLQDXRI-SNVBAGLBSA-N 1 0 290.342 2.042 10 0 CEAERO CCN(C)C(=O)COc1ccc(C[NH2+]CC(C)C)cc1 ZINC000062728912 520177727 /nfs/dbraw/zinc/17/77/27/520177727.db2.gz KAMDYWGJAOMLLL-UHFFFAOYSA-N 1 0 278.396 2.289 10 0 CEAERO CCN[C@H](CC[N@H+](C)[C@@H](C)CC(C)C)C(=O)OCC ZINC000062524080 520187871 /nfs/dbraw/zinc/18/78/71/520187871.db2.gz YLEKKYMXRRVXCK-UONOGXRCSA-N 1 0 272.433 2.284 10 0 CEAERO CC[NH2+][C@H](CCOC)c1ccc2c(c1)OCCO2 ZINC000055225883 520191788 /nfs/dbraw/zinc/19/17/88/520191788.db2.gz BFBYQRRKNFXYAI-GFCCVEGCSA-N 1 0 251.326 2.145 10 0 CEAERO CCCNc1ncccc1C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000050780558 520193961 /nfs/dbraw/zinc/19/39/61/520193961.db2.gz HIONVSGWCDTNLG-ZDUSSCGKSA-N 1 0 292.427 2.364 10 0 CEAERO CC[NH2+][C@H](Cc1c(F)cccc1Cl)CS(C)(=O)=O ZINC000052789120 520202985 /nfs/dbraw/zinc/20/29/85/520202985.db2.gz VZNRLDPWMQCVQI-SECBINFHSA-N 1 0 293.791 2.044 10 0 CEAERO CC[NH2+][C@H](c1ccc2c(c1)CCC(=O)N2C)[C@@H]1CCOC1 ZINC000062806612 520210369 /nfs/dbraw/zinc/21/03/69/520210369.db2.gz BNVWLRIJEGARNZ-RHSMWYFYSA-N 1 0 288.391 2.283 10 0 CEAERO CC[NH2+][C@H]1CCN(Cc2ccccc2C(F)(F)F)C1=O ZINC000061626904 520216480 /nfs/dbraw/zinc/21/64/80/520216480.db2.gz IUDOITHOUASHSK-LBPRGKRZSA-N 1 0 286.297 2.416 10 0 CEAERO CC[NH2+][C@](C)(CCCOCCCc1ccccc1)C(N)=O ZINC000045628293 520226709 /nfs/dbraw/zinc/22/67/09/520226709.db2.gz NTLQBDICZBDJBY-QGZVFWFLSA-N 1 0 292.423 2.270 10 0 CEAERO CC[NH2+][C@](C)(CCCO[C@@H](C)CC(C)C)C(N)=O ZINC000045503823 520229762 /nfs/dbraw/zinc/22/97/62/520229762.db2.gz HHGGYZJPDRCRLC-GXTWGEPZSA-N 1 0 258.406 2.071 10 0 CEAERO CCN[C@](C)(C[C@H](C)[N@H+](CC1CC1)C(C)C)C(=O)OC ZINC000068637897 520241046 /nfs/dbraw/zinc/24/10/46/520241046.db2.gz QNJKTSHRAUMNMS-XJKSGUPXSA-N 1 0 284.444 2.427 10 0 CEAERO CCCOCc1nc(C)c([C@@H](C)C[NH2+]CCOC)c(C)n1 ZINC000054855208 520261074 /nfs/dbraw/zinc/26/10/74/520261074.db2.gz TWPUJIAEUJBNFI-LBPRGKRZSA-N 1 0 295.427 2.360 10 0 CEAERO CCCO[C@@H]1CCCN(C(=O)CC[C@H]2CCCC[NH2+]2)C1 ZINC000050949643 520263431 /nfs/dbraw/zinc/26/34/31/520263431.db2.gz MQNSXLMGXZYEGR-HUUCEWRRSA-N 1 0 282.428 2.326 10 0 CEAERO CCNc1cc(CN2CC[C@@H]([NH+](CC)CC)C2)ccn1 ZINC000062969496 520272787 /nfs/dbraw/zinc/27/27/87/520272787.db2.gz JLZDUQSHOBSJEI-OAHLLOKOSA-N 1 0 276.428 2.430 10 0 CEAERO CCNc1ccc(C(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000050777547 520287882 /nfs/dbraw/zinc/28/78/82/520287882.db2.gz QSSCEXSACKBRKW-ZDUSSCGKSA-N 1 0 275.396 2.190 10 0 CEAERO CCN(C)c1nc(C2CC2)c(C[NH2+]CCOC)s1 ZINC000069146820 520289373 /nfs/dbraw/zinc/28/93/73/520289373.db2.gz FXPHVMVQYHNXAY-UHFFFAOYSA-N 1 0 269.414 2.213 10 0 CEAERO CCCC[N@H+](C)CC[C@H](NCCC)C(=O)OCC ZINC000062436386 520411846 /nfs/dbraw/zinc/41/18/46/520411846.db2.gz ZZEOVEUFWUWTDO-ZDUSSCGKSA-N 1 0 258.406 2.040 10 0 CEAERO CCN(CC(F)(F)F)C(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000055137042 520416983 /nfs/dbraw/zinc/41/69/83/520416983.db2.gz YHGAXYSEOIEWBN-NXEZZACHSA-N 1 0 266.307 2.305 10 0 CEAERO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[C@H]([NH3+])[C@@H]1C ZINC000055137048 520419183 /nfs/dbraw/zinc/41/91/83/520419183.db2.gz BTEKTXHEFNTIBB-UTLUCORTSA-N 1 0 266.307 2.161 10 0 CEAERO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[C@@H]([NH3+])[C@@H]1C ZINC000055137052 520419742 /nfs/dbraw/zinc/41/97/42/520419742.db2.gz BTEKTXHEFNTIBB-KXUCPTDWSA-N 1 0 266.307 2.161 10 0 CEAERO CCCOc1ccc([C@H](C[NH3+])N(C)[C@@H](C)COC)cc1 ZINC000052920086 520427298 /nfs/dbraw/zinc/42/72/98/520427298.db2.gz RFSJSJKXXMKYOC-BBRMVZONSA-N 1 0 280.412 2.442 10 0 CEAERO CCCOc1ccc([C@H]2[C@H](C[NH2+]C)OCCN2C)cc1 ZINC000070284942 520433387 /nfs/dbraw/zinc/43/33/87/520433387.db2.gz SRRNGBGDWONLNU-HOTGVXAUSA-N 1 0 278.396 2.067 10 0 CEAERO CCCCN(C)c1nc(C)c(C[NH2+]CCOC)s1 ZINC000054996036 520435658 /nfs/dbraw/zinc/43/56/58/520435658.db2.gz MGONFFCHYAXFEC-UHFFFAOYSA-N 1 0 271.430 2.424 10 0 CEAERO CCCOc1cccc([C@H](C[NH3+])N(C)CCOC)c1 ZINC000052921108 520467177 /nfs/dbraw/zinc/46/71/77/520467177.db2.gz NBLOTMNJSZVDMC-HNNXBMFYSA-N 1 0 266.385 2.053 10 0 CEAERO CCO[C@H](C[NH3+])CCN(C)c1ccc(CC)cc1 ZINC000062741216 520515598 /nfs/dbraw/zinc/51/55/98/520515598.db2.gz HYFKMKCVFWQNIE-HNNXBMFYSA-N 1 0 250.386 2.439 10 0 CEAERO CCO[C@H](C[NH3+])CCOc1cccc2cccnc21 ZINC000062741669 520518550 /nfs/dbraw/zinc/51/85/50/520518550.db2.gz FHOXAHYTAKLRFU-ZDUSSCGKSA-N 1 0 260.337 2.368 10 0 CEAERO CCO[C@H](C[NH3+])COc1ccc(F)cc1Br ZINC000062740411 520519389 /nfs/dbraw/zinc/51/93/89/520519389.db2.gz DPDDLEIYEDIQNV-SECBINFHSA-N 1 0 292.148 2.331 10 0 CEAERO CCN(CC)C(=O)[C@@H](C)[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000062707365 520519851 /nfs/dbraw/zinc/51/98/51/520519851.db2.gz PDGJQTRMICDCIZ-SECBINFHSA-N 1 0 288.313 2.450 10 0 CEAERO CCCC[N@H+](CC[C@@H]([NH2+]CCC)C(=O)[O-])C1CC1 ZINC000062459241 520538381 /nfs/dbraw/zinc/53/83/81/520538381.db2.gz ZDWRAIHXDMKCIY-CYBMUJFWSA-N 1 0 256.390 2.094 10 0 CEAERO CCCS(=O)(=O)c1ccc(NCC[NH2+]C2CC2)cc1 ZINC000054267868 520543773 /nfs/dbraw/zinc/54/37/73/520543773.db2.gz RQBZNZLWMIHEGG-UHFFFAOYSA-N 1 0 282.409 2.034 10 0 CEAERO CC[NH+](CC)CCCCNC(=O)Nc1ccccn1 ZINC000049338263 520592571 /nfs/dbraw/zinc/59/25/71/520592571.db2.gz HAQKDZJQPNEINW-UHFFFAOYSA-N 1 0 264.373 2.325 10 0 CEAERO CCC[C@@H](CC)NC(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000051093851 520687005 /nfs/dbraw/zinc/68/70/05/520687005.db2.gz YMFQUBULUXURME-SECBINFHSA-N 1 0 270.764 2.329 10 0 CEAERO CC[NH+](CC)C[C@@H](C)N1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054601189 520714538 /nfs/dbraw/zinc/71/45/38/520714538.db2.gz RKCODIRENLERGZ-MCIONIFRSA-N 1 0 252.402 2.303 10 0 CEAERO CCCCOCC[NH2+]CCN(CC)CC(F)(F)F ZINC000053390118 520780560 /nfs/dbraw/zinc/78/05/60/520780560.db2.gz IHOJRDZNSQQCPX-UHFFFAOYSA-N 1 0 270.339 2.277 10 0 CEAERO CCC[C@@H]1CN(CCn2cccn2)[C@H]([C@@H](C)CC)C[NH2+]1 ZINC000068700865 520838185 /nfs/dbraw/zinc/83/81/85/520838185.db2.gz DSABOQPHADPCSF-XHSDSOJGSA-N 1 0 278.444 2.372 10 0 CEAERO CCCCOc1cc2c(cc1C[NH2+]CCOC)OCO2 ZINC000062733981 520848781 /nfs/dbraw/zinc/84/87/81/520848781.db2.gz SLCOWENIMYWAOA-UHFFFAOYSA-N 1 0 281.352 2.330 10 0 CEAERO CCOC(=O)C[C@H](C)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000051631358 520882586 /nfs/dbraw/zinc/88/25/86/520882586.db2.gz JFWAXPQRHXHLFW-SWLSCSKDSA-N 1 0 261.365 2.475 10 0 CEAERO CC1CCC(NC(=O)[C@H]2[C@@H](C)CCC[C@@H]2[NH3+])CC1 ZINC000055124515 520951375 /nfs/dbraw/zinc/95/13/75/520951375.db2.gz OAKKHJZTJSHJIB-NMHYENAYSA-N 1 0 252.402 2.445 10 0 CEAERO CCOc1ccc(N)cc1C[N@@H+]1CCC[C@H]1CCCO ZINC000052757011 521030200 /nfs/dbraw/zinc/03/02/00/521030200.db2.gz UOSWQYPHLYZGSH-HNNXBMFYSA-N 1 0 278.396 2.404 10 0 CEAERO CC[N@H+](CCC[C@@](C)([NH2+]C1CC1)C(=O)[O-])CC1CC1 ZINC000069239442 521042887 /nfs/dbraw/zinc/04/28/87/521042887.db2.gz VAOKCYUQXOUBGW-OAHLLOKOSA-N 1 0 268.401 2.094 10 0 CEAERO CCOC(=O)[C@@H](CC[N@@H+]1CCCC(C)(C)C1)NC(C)C ZINC000069517046 521058083 /nfs/dbraw/zinc/05/80/83/521058083.db2.gz AHYAGDRJJGQCSQ-CQSZACIVSA-N 1 0 284.444 2.428 10 0 CEAERO CCC[C@H]([NH3+])C(=O)NCc1ccc(OC(C)(C)C)nc1 ZINC000183094321 521114293 /nfs/dbraw/zinc/11/42/93/521114293.db2.gz ZXGQRQCDSHSCLN-LBPRGKRZSA-N 1 0 279.384 2.003 10 0 CEAERO CCN(CCOC)[C@H](C[NH3+])c1ccc(F)c(C)c1 ZINC000050546374 521137830 /nfs/dbraw/zinc/13/78/30/521137830.db2.gz LFVFRJOFWDAQBT-CQSZACIVSA-N 1 0 254.349 2.102 10 0 CEAERO CCN(CCOC)[C@@H](C[NH3+])c1ccc(F)cc1C ZINC000050578968 521138606 /nfs/dbraw/zinc/13/86/06/521138606.db2.gz YRIZIDRFCSMLPI-AWEZNQCLSA-N 1 0 254.349 2.102 10 0 CEAERO CCOC(=O)[C@@](C)(N)CCC[N@@H+]1CCCC(C)(C)C1 ZINC000069516436 521152911 /nfs/dbraw/zinc/15/29/11/521152911.db2.gz CRNMYQVVTRBUQJ-HNNXBMFYSA-N 1 0 270.417 2.169 10 0 CEAERO CCOC(=O)[C@@](C[N@H+](CC)C(C)C)(NC(C)C)C1CC1 ZINC000069097221 521166823 /nfs/dbraw/zinc/16/68/23/521166823.db2.gz OFYUADLIZQFBPC-INIZCTEOSA-N 1 0 284.444 2.427 10 0 CEAERO CCOc1ccc(OC[C@@H]2CC[C@@H](C[NH2+]C)O2)cc1 ZINC000052652418 521178512 /nfs/dbraw/zinc/17/85/12/521178512.db2.gz HTWVSHRGFOWULI-GJZGRUSLSA-N 1 0 265.353 2.231 10 0 CEAERO CCOc1ccc([C@@H](O)CN2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061652666 521231359 /nfs/dbraw/zinc/23/13/59/521231359.db2.gz VCZCSGQFHGAQIU-WBVHZDCISA-N 1 0 292.423 2.145 10 0 CEAERO CCC[C@]1(C(=O)N(C)Cc2ccc(O)cc2)CC[NH2+]C1 ZINC000062896253 521296938 /nfs/dbraw/zinc/29/69/38/521296938.db2.gz LCTQIBHDXRDRRQ-INIZCTEOSA-N 1 0 276.380 2.130 10 0 CEAERO CCC[C@]1(C(=O)Nc2nc(C)c(C)s2)CC[NH2+]C1 ZINC000062901465 521300574 /nfs/dbraw/zinc/30/05/74/521300574.db2.gz JMCJKWLMMUPSCF-ZDUSSCGKSA-N 1 0 267.398 2.478 10 0 CEAERO CCC(C)(C)OCCC[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000045475202 521359562 /nfs/dbraw/zinc/35/95/62/521359562.db2.gz WPVBBMNIMQKANR-CQSZACIVSA-N 1 0 258.406 2.214 10 0 CEAERO CCOC(=O)[C@](N)(C[N@H+](CC)CC1CC1)c1ccccc1 ZINC000069239522 521346409 /nfs/dbraw/zinc/34/64/09/521346409.db2.gz FZGXOLTYDOKPTF-KRWDZBQOSA-N 1 0 290.407 2.136 10 0 CEAERO CCOC(=O)[C@]([NH3+])(CSC1CCCC1)C1CC1 ZINC000069190652 521347937 /nfs/dbraw/zinc/34/79/37/521347937.db2.gz XQIGILQKCYAFIS-ZDUSSCGKSA-N 1 0 257.399 2.333 10 0 CEAERO CCCc1cc(N2CCC[C@H](C[NH2+]CC)C2)ncn1 ZINC000053696279 521369309 /nfs/dbraw/zinc/36/93/09/521369309.db2.gz LIDIWICTDXPBIU-CYBMUJFWSA-N 1 0 262.401 2.255 10 0 CEAERO CC[N@H+](Cc1ccccc1)CC1(CO)CCOCC1 ZINC000052199259 521371719 /nfs/dbraw/zinc/37/17/19/521371719.db2.gz QZGURXZQAWIACV-UHFFFAOYSA-N 1 0 263.381 2.298 10 0 CEAERO CCN(c1ccccc1C)S(=O)(=O)C[C@@H]1CCC[NH2+]C1 ZINC000049641191 521500234 /nfs/dbraw/zinc/50/02/34/521500234.db2.gz QZQCNQDEGWRRFD-CQSZACIVSA-N 1 0 296.436 2.151 10 0 CEAERO CCCc1nc(N(C)[C@@H]2CCSC2)sc1C[NH3+] ZINC000054996978 521528590 /nfs/dbraw/zinc/52/85/90/521528590.db2.gz AQSURAOHUNKWBI-SECBINFHSA-N 1 0 271.455 2.496 10 0 CEAERO CCCc1nc(N2C[C@H](C)OC[C@@H]2C)sc1C[NH3+] ZINC000054997256 521533842 /nfs/dbraw/zinc/53/38/42/521533842.db2.gz MOBWATCLOPUMFG-UWVGGRQHSA-N 1 0 269.414 2.168 10 0 CEAERO CCCN(CC(=O)NC)c1ccccc1C[NH2+]CC(C)C ZINC000062737526 521547489 /nfs/dbraw/zinc/54/74/89/521547489.db2.gz YVZRGCPNQBULHR-UHFFFAOYSA-N 1 0 291.439 2.395 10 0 CEAERO CCC(CC)[N@H+](CCO)Cc1nc(N)ccc1Cl ZINC000061638713 521552751 /nfs/dbraw/zinc/55/27/51/521552751.db2.gz VACXGCCXLRARTG-UHFFFAOYSA-N 1 0 271.792 2.300 10 0 CEAERO CCC(CC)N(CCOC)C(=O)[C@@H]1CCC[C@H](C)[C@@H]1[NH3+] ZINC000055133740 521556610 /nfs/dbraw/zinc/55/66/10/521556610.db2.gz SRZUHJQPXHPQPD-CFVMTHIKSA-N 1 0 284.444 2.414 10 0 CEAERO CCC(CC)N(CCOC)C(=O)[C@H]1C[C@H]([NH3+])CC[C@@H]1C ZINC000055133753 521557329 /nfs/dbraw/zinc/55/73/29/521557329.db2.gz CSGUJKXGYOZXNM-GUTXKFCHSA-N 1 0 284.444 2.414 10 0 CEAERO CCC(CC)N(CCOC)C(=O)[C@H](C[NH3+])c1ccccc1 ZINC000061612064 521557364 /nfs/dbraw/zinc/55/73/64/521557364.db2.gz WLWLSXJJVCSWDM-MRXNPFEDSA-N 1 0 292.423 2.393 10 0 CEAERO CCCN(CC(F)(F)F)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000055089558 521583900 /nfs/dbraw/zinc/58/39/00/521583900.db2.gz RGEIOHGMZHWSEC-UWVGGRQHSA-N 1 0 266.307 2.305 10 0 CEAERO CCC(CC)NC(=O)[C@H](C)[NH2+][C@@H](CC(C)C)CN(C)C ZINC000049555873 521592592 /nfs/dbraw/zinc/59/25/92/521592592.db2.gz NULYAWKTTYWYQS-ZFWWWQNUSA-N 1 0 285.476 2.246 10 0 CEAERO CCCn1c(S[C@H](c2ccccc2)[C@@H](C)[NH3+])n[nH]c1=O ZINC000061594836 521635469 /nfs/dbraw/zinc/63/54/69/521635469.db2.gz XRRMVIVAQOOUHV-PWSUYJOCSA-N 1 0 292.408 2.162 10 0 CEAERO CCS(=O)(=O)CC[C@H](C[NH2+]C)Cc1cccc(F)c1 ZINC000052976990 521645511 /nfs/dbraw/zinc/64/55/11/521645511.db2.gz GJWKVIQMIJEOMD-ZDUSSCGKSA-N 1 0 287.400 2.029 10 0 CEAERO CC[N@@H+]1CCC[C@H](Nc2ccccc2C(N)=S)C1 ZINC000049224600 521649369 /nfs/dbraw/zinc/64/93/69/521649369.db2.gz QPEIYDYABXCCNM-NSHDSACASA-N 1 0 263.410 2.217 10 0 CEAERO CCC1(C(=O)N2CCOc3ccccc3C2)CC[NH2+]CC1 ZINC000062849646 521663213 /nfs/dbraw/zinc/66/32/13/521663213.db2.gz OFGVEFKCNAKXRJ-UHFFFAOYSA-N 1 0 288.391 2.187 10 0 CEAERO CCC1(C(=O)NCc2ccc(F)cc2F)CC[NH2+]CC1 ZINC000062850255 521668593 /nfs/dbraw/zinc/66/85/93/521668593.db2.gz GJNOASNBJKLEPB-UHFFFAOYSA-N 1 0 282.334 2.361 10 0 CEAERO CCC1(C)CCN(C(=O)[C@@H]2[NH2+]CCC[C@@H]2C)CC1 ZINC000062959610 521676966 /nfs/dbraw/zinc/67/69/66/521676966.db2.gz CQBAOKZLBMUDFT-QWHCGFSZSA-N 1 0 252.402 2.413 10 0 CEAERO CCN1CCN(c2nc(C)c(C[NH2+]C(C)(C)C)s2)CC1 ZINC000054994823 521699909 /nfs/dbraw/zinc/69/99/09/521699909.db2.gz NTOYZPZIWWTTEG-UHFFFAOYSA-N 1 0 296.484 2.482 10 0 CEAERO CCN1CCN(c2nc3c(s2)[C@@H]([NH3+])CC(C)(C)C3)CC1 ZINC000054863982 521700615 /nfs/dbraw/zinc/70/06/15/521700615.db2.gz WZDMLSKHNYLEIE-NSHDSACASA-N 1 0 294.468 2.257 10 0 CEAERO CCN1CCO[C@H](C[NH2+]C)[C@@H]1c1ccc(F)cc1C ZINC000070288042 521709240 /nfs/dbraw/zinc/70/92/40/521709240.db2.gz JDSPTYVGQUXFFY-CABCVRRESA-N 1 0 266.360 2.115 10 0 CEAERO COc1c(C)cnc(C[C@]2(C[NH2+]C3CC3)CCOC2)c1C ZINC000054665270 521815831 /nfs/dbraw/zinc/81/58/31/521815831.db2.gz WMFYYXVQHPXYMQ-KRWDZBQOSA-N 1 0 290.407 2.408 10 0 CEAERO CNC(=O)c1ccc(C[NH2+][C@@]2(CO)CCC[C@H](C)C2)cc1 ZINC000053117339 521819603 /nfs/dbraw/zinc/81/96/03/521819603.db2.gz FHSXSJCJPBMTTF-GUYCJALGSA-N 1 0 290.407 2.077 10 0 CEAERO C[NH+](C)C[C@@H](O)CNc1cc(C(F)(F)F)ccc1F ZINC000062656507 521829897 /nfs/dbraw/zinc/82/98/97/521829897.db2.gz WHVYQFASIOWENR-VIFPVBQESA-N 1 0 280.265 2.179 10 0 CEAERO C[NH+](C)C[C@@H]1CCCN1c1cc(CO)c2ccccc2n1 ZINC000061651999 521842723 /nfs/dbraw/zinc/84/27/23/521842723.db2.gz WBWOGDZBYNZYRH-AWEZNQCLSA-N 1 0 285.391 2.258 10 0 CEAERO COCC[C@@](C)(C[NH3+])N(C)c1cc(C)cc(C)c1 ZINC000049985393 521894834 /nfs/dbraw/zinc/89/48/34/521894834.db2.gz DGEDUKIOFYVSGA-HNNXBMFYSA-N 1 0 250.386 2.494 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N1CC[C@@H](C)[C@H]2CCCC[C@H]21 ZINC000061317291 521935568 /nfs/dbraw/zinc/93/55/68/521935568.db2.gz PVPWFKKOTUASNX-JHJVBQTASA-N 1 0 252.402 2.412 10 0 CEAERO C[NH2+]C(C)(C)C(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000061316333 521943361 /nfs/dbraw/zinc/94/33/61/521943361.db2.gz DJSDKRXAUCVEMS-UHFFFAOYSA-N 1 0 258.325 2.013 10 0 CEAERO C[NH2+]C1CCC(NC(=O)[C@H](OC)c2ccccc2)CC1 ZINC000050437397 521948687 /nfs/dbraw/zinc/94/86/87/521948687.db2.gz MNXRQUXKUSDDHK-YMAMQOFZSA-N 1 0 276.380 2.021 10 0 CEAERO C[NH2+]CC[C@H]1CCCCN1C(=O)C[C@@H]1C=CCC1 ZINC000070191848 522019157 /nfs/dbraw/zinc/01/91/57/522019157.db2.gz PCQSLRYVWOLXER-ZIAGYGMSSA-N 1 0 250.386 2.333 10 0 CEAERO C[NH2+]CCc1nnc(-c2cc(Cl)ccc2OC)o1 ZINC000050619511 522021370 /nfs/dbraw/zinc/02/13/70/522021370.db2.gz VMDUWBKTTRGAGH-UHFFFAOYSA-N 1 0 267.716 2.161 10 0 CEAERO C[NH2+]C[C@@H](Cc1cc(C)cc(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000052950058 522033887 /nfs/dbraw/zinc/03/38/87/522033887.db2.gz JVRDUPCHOOQAOM-JKSUJKDBSA-N 1 0 295.448 2.116 10 0 CEAERO C[NH2+]C[C@@H]1CCCCN1C(=O)/C=C/c1ccc(F)cc1 ZINC000063167671 522037310 /nfs/dbraw/zinc/03/73/10/522037310.db2.gz MLWUPMMXSNMQIS-VSGCLNPGSA-N 1 0 276.355 2.439 10 0 CEAERO C[NH2+]C[C@@H]1CC[C@@H](COc2cccc3cccnc32)O1 ZINC000052693998 522058448 /nfs/dbraw/zinc/05/84/48/522058448.db2.gz IRVNWCGLVZHZPY-KBPBESRZSA-N 1 0 272.348 2.381 10 0 CEAERO C[NH2+]C[C@@H]1Cc2ccccc2CN1c1nc(C)cc(C)n1 ZINC000053663954 522061886 /nfs/dbraw/zinc/06/18/86/522061886.db2.gz KAPQKICFKROAGW-INIZCTEOSA-N 1 0 282.391 2.244 10 0 CEAERO C[NH2+]C[C@H](c1ccccc1)n1cc(Br)cn1 ZINC000052577616 522078755 /nfs/dbraw/zinc/07/87/55/522078755.db2.gz KFLVUIVXZHASNZ-GFCCVEGCSA-N 1 0 280.169 2.454 10 0 CEAERO C[NH2+]C[C@H]1CC[C@H](Cn2cnc3cc(C)c(C)cc32)O1 ZINC000052575693 522096195 /nfs/dbraw/zinc/09/61/95/522096195.db2.gz PGSHLTXCDWIBDM-ZIAGYGMSSA-N 1 0 273.380 2.420 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(C[C@H](O)c2ccc(OC)cc2)CC1 ZINC000055069697 522124319 /nfs/dbraw/zinc/12/43/19/522124319.db2.gz XXZAHGYWPOZDTA-PBHICJAKSA-N 1 0 292.423 2.145 10 0 CEAERO CC[C@@H](C)[NH+]1CCN([C@@H]2CNc3ccccc3C2)CC1 ZINC000055067313 522128676 /nfs/dbraw/zinc/12/86/76/522128676.db2.gz XTQVVGRXUMDJHC-ZBFHGGJFSA-N 1 0 273.424 2.439 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(c2cc(N)cc(F)c2)CC1 ZINC000055066641 522133496 /nfs/dbraw/zinc/13/34/96/522133496.db2.gz YRKNFFHKCPTZBQ-LLVKDONJSA-N 1 0 251.349 2.328 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(c2ccc(C(N)=S)cc2F)CC1 ZINC000055080614 522134222 /nfs/dbraw/zinc/13/42/22/522134222.db2.gz MGEFPPZGFSWEFJ-LLVKDONJSA-N 1 0 295.427 2.380 10 0 CEAERO C[NH2+]Cc1coc(Cn2cc(Br)cn2)c1 ZINC000052577518 522149481 /nfs/dbraw/zinc/14/94/81/522149481.db2.gz QSXWEHKQWSBTNE-UHFFFAOYSA-N 1 0 270.130 2.006 10 0 CEAERO CC[C@H](C[NH3+])C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000061626549 522172236 /nfs/dbraw/zinc/17/22/36/522172236.db2.gz VESZCIAUXFUOFO-SNVBAGLBSA-N 1 0 274.286 2.307 10 0 CEAERO CN(C)c1ccc(NC(=O)CC[C@@H]2CCCC[NH2+]2)cn1 ZINC000050944135 522222932 /nfs/dbraw/zinc/22/29/32/522222932.db2.gz KNKFXUCMBZSKAT-LBPRGKRZSA-N 1 0 276.384 2.008 10 0 CEAERO CN(C)c1cccc(OCc2cc[nH+]c(NN)c2)c1 ZINC000052727680 522283338 /nfs/dbraw/zinc/28/33/38/522283338.db2.gz QZULQJWULGBKRK-UHFFFAOYSA-N 1 0 258.325 2.012 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(C)cc1OCCC(=O)OC ZINC000069317766 522329714 /nfs/dbraw/zinc/32/97/14/522329714.db2.gz SHJOKUGBQMYBMR-NSHDSACASA-N 1 0 251.326 2.217 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(F)cc1O[C@H](C)C(=O)OC ZINC000062746144 522332529 /nfs/dbraw/zinc/33/25/29/522332529.db2.gz AWEPHKQBYOKRNA-DTWKUNHWSA-N 1 0 255.289 2.046 10 0 CEAERO CC[C@H]([NH3+])Cc1cc(C)ccc1OCCC(=O)OC ZINC000069319043 522333542 /nfs/dbraw/zinc/33/35/42/522333542.db2.gz HAEGXFOGYGTQCO-ZDUSSCGKSA-N 1 0 265.353 2.217 10 0 CEAERO CC[C@H]([NH3+])Cc1ccc(O[C@@H]2CCOC2)c(OC)c1 ZINC000070072697 522333567 /nfs/dbraw/zinc/33/35/67/522333567.db2.gz VUBOQUPFTVTHOO-QWHCGFSZSA-N 1 0 265.353 2.143 10 0 CEAERO CC[C@H]([NH3+])[C@@](O)(c1ccc(OC)cc1OC)C(F)(F)F ZINC000062784699 522341608 /nfs/dbraw/zinc/34/16/08/522341608.db2.gz AUCGZBZJNAZZQR-RYUDHWBXSA-N 1 0 293.285 2.191 10 0 CEAERO CC[C@H]([NH3+])[C@](O)(c1ccccc1OC)C(F)(F)F ZINC000062784313 522346746 /nfs/dbraw/zinc/34/67/46/522346746.db2.gz CPNRFECNCIJTFX-WDEREUQCSA-N 1 0 263.259 2.182 10 0 CEAERO CC[C@H]([NH3+])c1cnn(CCCOCC(F)(F)F)c1 ZINC000054717346 522348497 /nfs/dbraw/zinc/34/84/97/522348497.db2.gz AMLYVQRWWVFJFU-JTQLQIEISA-N 1 0 265.279 2.262 10 0 CEAERO C[NH2+][C@@H](CCSc1ccc2ccccc2c1)C(N)=O ZINC000062600579 522351655 /nfs/dbraw/zinc/35/16/55/522351655.db2.gz BYARXWGYQCUARH-AWEZNQCLSA-N 1 0 274.389 2.395 10 0 CEAERO C[NH2+][C@@H](CN1CCC(COC)CC1)c1ccccc1OC ZINC000070080882 522353239 /nfs/dbraw/zinc/35/32/39/522353239.db2.gz KJQXSRCWAAOYIS-INIZCTEOSA-N 1 0 292.423 2.314 10 0 CEAERO C[NH2+][C@@H](c1cc(OC)c(OC)cc1F)[C@@H]1CCOC1 ZINC000061561000 522366815 /nfs/dbraw/zinc/36/68/15/522366815.db2.gz XSVMVZHGLMOHEG-YMTOWFKASA-N 1 0 269.316 2.140 10 0 CEAERO 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256.415 2.365 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccc(OC)cc1OC[C@H]1CCOC1 ZINC000049690013 522642976 /nfs/dbraw/zinc/64/29/76/522642976.db2.gz FLBZGYHJPQGJAS-GXTWGEPZSA-N 1 0 279.380 2.390 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](N(CCO)Cc1ccccc1)C(F)(F)F ZINC000050514144 522646471 /nfs/dbraw/zinc/64/64/71/522646471.db2.gz YUUWDFPNESAHNR-CHWSQXEVSA-N 1 0 290.329 2.149 10 0 CEAERO CNc1cccc(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)n1 ZINC000051068657 522651893 /nfs/dbraw/zinc/65/18/93/522651893.db2.gz PMYAIBFTQQRXIF-CYBMUJFWSA-N 1 0 290.411 2.118 10 0 CEAERO CNc1nc2ccccc2cc1C[N@H+](C)CCOC ZINC000050817500 522687262 /nfs/dbraw/zinc/68/72/62/522687262.db2.gz KMFQYLCRSDPYMO-UHFFFAOYSA-N 1 0 259.353 2.355 10 0 CEAERO CNc1nc2ccccc2cc1CN1CCC[N@H+](C)CC1 ZINC000050812366 522688846 /nfs/dbraw/zinc/68/88/46/522688846.db2.gz XJWRVDJMOCCISP-UHFFFAOYSA-N 1 0 284.407 2.414 10 0 CEAERO CCc1nnc(NC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)s1 ZINC000150690220 522763884 /nfs/dbraw/zinc/76/38/84/522763884.db2.gz HSOUJCYZKGXWLN-UWVGGRQHSA-N 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DPJFGDVNLGAQCB-NSHDSACASA-N 1 0 263.410 2.338 10 0 CEAERO COC(=O)CCOc1c(C[NH2+]CC(C)C)cccc1OC ZINC000069317577 523103641 /nfs/dbraw/zinc/10/36/41/523103641.db2.gz WZXYHMKVEXIUFE-UHFFFAOYSA-N 1 0 295.379 2.383 10 0 CEAERO CC[C@H]1CCC[C@@H](NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)C1 ZINC000068602974 523117008 /nfs/dbraw/zinc/11/70/08/523117008.db2.gz XILOCCPMIRCXAW-BJJXKVORSA-N 1 0 290.407 2.347 10 0 CEAERO CC[C@H]1CC[C@@H]([NH3+])[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000061702559 523185886 /nfs/dbraw/zinc/18/58/86/523185886.db2.gz DWLTZYFNNKCMAR-IACUBPJLSA-N 1 0 267.394 2.366 10 0 CEAERO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@H]1C[C@@H]1C ZINC000183552505 523235407 /nfs/dbraw/zinc/23/54/07/523235407.db2.gz OFFCAAQQNPBKMT-GVXVVHGQSA-N 1 0 263.337 2.297 10 0 CEAERO CCn1c(S[C@@H](c2ccccc2C)[C@@H](C)[NH3+])n[nH]c1=O ZINC000061594266 523245455 /nfs/dbraw/zinc/24/54/55/523245455.db2.gz YLDVBGGHNUTGHM-ZYHUDNBSSA-N 1 0 292.408 2.080 10 0 CEAERO COc1ccc(-c2nnc(C[NH+]3CCCC3)o2)cc1OC ZINC000062651379 523253250 /nfs/dbraw/zinc/25/32/50/523253250.db2.gz XPFQWGNQUGASGT-UHFFFAOYSA-N 1 0 289.335 2.350 10 0 CEAERO COCCCN(CCOC)[C@@H](C[NH2+]CC(C)C)C(C)C ZINC000052543176 523259433 /nfs/dbraw/zinc/25/94/33/523259433.db2.gz SYFLDGXIJYLZJB-INIZCTEOSA-N 1 0 288.476 2.242 10 0 CEAERO COC(=O)C[C@@H](C)C[C@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000061829691 523262346 /nfs/dbraw/zinc/26/23/46/523262346.db2.gz WMUBYVKPZFWXNA-AAEUAGOBSA-N 1 0 293.363 2.437 10 0 CEAERO COCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCc2sccc21 ZINC000061362447 523347884 /nfs/dbraw/zinc/34/78/84/523347884.db2.gz LYCCRWMMNHDYIA-DGCLKSJQSA-N 1 0 296.436 2.256 10 0 CEAERO CN(Cc1ccccc1Cl)c1nccnc1C(N)=[NH2+] ZINC000054379778 523366187 /nfs/dbraw/zinc/36/61/87/523366187.db2.gz SCAULEXTKAYCGY-UHFFFAOYSA-N 1 0 275.743 2.050 10 0 CEAERO COCCC[NH2+]CCSc1nc2ccccc2[nH]1 ZINC000053608281 523372519 /nfs/dbraw/zinc/37/25/19/523372519.db2.gz GFATZZWQNLMVKG-UHFFFAOYSA-N 1 0 265.382 2.281 10 0 CEAERO COCCC[NH2+]C[C@H](C)Oc1ccc(F)c(F)c1 ZINC000053586797 523373036 /nfs/dbraw/zinc/37/30/36/523373036.db2.gz OUEXCNLGJMHORY-JTQLQIEISA-N 1 0 259.296 2.358 10 0 CEAERO CCn1cc(C[C@H]([NH2+]C)c2ccc(OC)c(OC)c2)cn1 ZINC000050542309 523395619 /nfs/dbraw/zinc/39/56/19/523395619.db2.gz ZGXXVJGQNVFRDZ-AWEZNQCLSA-N 1 0 289.379 2.423 10 0 CEAERO CN(Cc1ccco1)C(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050942109 523425037 /nfs/dbraw/zinc/42/50/37/523425037.db2.gz DKCRPERBPDZYHB-LBPRGKRZSA-N 1 0 250.342 2.160 10 0 CEAERO CN(Cc1ccncc1)Cc1[nH+]c(NN)ccc1Cl ZINC000061631004 523460561 /nfs/dbraw/zinc/46/05/61/523460561.db2.gz MQRVBBSRCJMIEE-UHFFFAOYSA-N 1 0 277.759 2.048 10 0 CEAERO CC[C@](C)(C[NH2+]CC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000054661706 523464233 /nfs/dbraw/zinc/46/42/33/523464233.db2.gz SQHHSOULBLUEFC-CHWSQXEVSA-N 1 0 261.431 2.083 10 0 CEAERO CC[C@@H]1COCCN1CC1(C[NH2+]CC(C)C)CCOCC1 ZINC000052181968 523499883 /nfs/dbraw/zinc/49/98/83/523499883.db2.gz JHTIAHJLHAUBRT-MRXNPFEDSA-N 1 0 298.471 2.140 10 0 CEAERO CC[C@@H]1COCCN1[C@@H](C[NH3+])c1ccc2ncccc2c1 ZINC000069502536 523502388 /nfs/dbraw/zinc/50/23/88/523502388.db2.gz LNMJSXIGHRONOA-WBVHZDCISA-N 1 0 285.391 2.345 10 0 CEAERO CCn1ccnc(N(CCC[NH3+])C2CCCCCC2)c1=O ZINC000061758612 523504034 /nfs/dbraw/zinc/50/40/34/523504034.db2.gz AXNVQKSVOKQHIW-UHFFFAOYSA-N 1 0 292.427 2.141 10 0 CEAERO CC[C@@H]1CO[C@H](C)CN1Cc1cc(C[NH3+])oc1C ZINC000052571055 523517692 /nfs/dbraw/zinc/51/76/92/523517692.db2.gz RLTUJPFTXNLYBK-ZWNOBZJWSA-N 1 0 252.358 2.046 10 0 CEAERO CC[C@]1(C(=O)NCc2cccc(F)c2)CCC[NH2+]C1 ZINC000062853176 523539568 /nfs/dbraw/zinc/53/95/68/523539568.db2.gz TWTODCYPYKJDLH-HNNXBMFYSA-N 1 0 264.344 2.222 10 0 CEAERO COc1ccc(C(=O)CN2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000062981538 523587210 /nfs/dbraw/zinc/58/72/10/523587210.db2.gz JAHYISUABXTNKW-HNNXBMFYSA-N 1 0 288.391 2.048 10 0 CEAERO CN(Cc1nccn1C)c1cc(Cl)ccc1C[NH3+] ZINC000062787076 523594501 /nfs/dbraw/zinc/59/45/01/523594501.db2.gz PLYDAVONMXKGPI-UHFFFAOYSA-N 1 0 264.760 2.169 10 0 CEAERO CO[C@@H]1CCC[C@@H]([NH+]2CCN(c3cccc(N)c3)CC2)C1 ZINC000070332629 523616584 /nfs/dbraw/zinc/61/65/84/523616584.db2.gz RKPWXHGTPOAIRY-IAGOWNOFSA-N 1 0 289.423 2.348 10 0 CEAERO CN(c1nc2c(s1)[C@@H]([NH3+])CCC2)[C@@H]1CCSC1 ZINC000054895340 523663526 /nfs/dbraw/zinc/66/35/26/523663526.db2.gz RVLVONAGEKIOOD-BDAKNGLRSA-N 1 0 269.439 2.421 10 0 CEAERO CC[C@@](CCS(=O)(=O)CC)(C[NH2+]C)c1ccccc1 ZINC000054659175 523682318 /nfs/dbraw/zinc/68/23/18/523682318.db2.gz SCZXWXXLTQCWHJ-OAHLLOKOSA-N 1 0 283.437 2.379 10 0 CEAERO CC[C@@]1(C(=O)NCCc2cccs2)CCC[NH2+]C1 ZINC000062852539 523693325 /nfs/dbraw/zinc/69/33/25/523693325.db2.gz QIRVFEVYYMJFNV-CQSZACIVSA-N 1 0 266.410 2.187 10 0 CEAERO COCC[NH+](CCOC)C[C@H]1C[C@H](C(C)C)CCC1=O ZINC000054559293 523715566 /nfs/dbraw/zinc/71/55/66/523715566.db2.gz ZAGRHOKCJWHGSV-HUUCEWRRSA-N 1 0 285.428 2.223 10 0 CEAERO COCCN(CCOC)CC1(C[NH2+]C2CC2)CCCCC1 ZINC000051258328 523716252 /nfs/dbraw/zinc/71/62/52/523716252.db2.gz GQVZGKSKALDODB-UHFFFAOYSA-N 1 0 298.471 2.284 10 0 CEAERO COC(=O)[C@@](C)(N)C[C@H](C)[N@@H+]1CCC[C@H](C(C)C)CC1 ZINC000068648154 523819189 /nfs/dbraw/zinc/81/91/89/523819189.db2.gz WTJULWIKQOLLEG-DZKIICNBSA-N 1 0 284.444 2.414 10 0 CEAERO COC(=O)[C@H](C)Oc1cc(OC)ccc1C[NH2+]CC(C)C ZINC000062733250 523886458 /nfs/dbraw/zinc/88/64/58/523886458.db2.gz FWKYUVQLSVPXFY-LBPRGKRZSA-N 1 0 295.379 2.381 10 0 CEAERO CC[C@H](C)CNS(=O)(=O)c1cccc([C@H](C)[NH3+])c1 ZINC000054489110 523886742 /nfs/dbraw/zinc/88/67/42/523886742.db2.gz WPYRILBYONXRRK-QWRGUYRKSA-N 1 0 270.398 2.031 10 0 CEAERO COC(=O)[C@H](CC[N@H+](C)[C@@H](C)CC(C)C)NC(C)C ZINC000062524271 523898545 /nfs/dbraw/zinc/89/85/45/523898545.db2.gz BXHHHXZXOJURHP-KBPBESRZSA-N 1 0 272.433 2.283 10 0 CEAERO CC[C@H](C)C[C@H](C[NH2+]C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000052951414 523903091 /nfs/dbraw/zinc/90/30/91/523903091.db2.gz CTFCXDGGYZNJJN-BFHYXJOUSA-N 1 0 275.458 2.472 10 0 CEAERO CN(C(=O)[C@H]1CC[NH2+]C1)[C@@H]1CCCc2ccccc21 ZINC000062114559 523909423 /nfs/dbraw/zinc/90/94/23/523909423.db2.gz 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294.443 2.091 10 0 CEAERO COCC[NH2+]Cc1c(Cl)cccc1N1CCCOCC1 ZINC000062738404 523947874 /nfs/dbraw/zinc/94/78/74/523947874.db2.gz PRWZIBIDSRDXCV-UHFFFAOYSA-N 1 0 298.814 2.303 10 0 CEAERO COCC[NH2+]Cc1cc(F)ccc1-n1cc(Cl)cn1 ZINC000062738685 523950675 /nfs/dbraw/zinc/95/06/75/523950675.db2.gz RTXJIMKXGSZRNV-UHFFFAOYSA-N 1 0 283.734 2.401 10 0 CEAERO COCCN[C@H](C[NH3+])c1csc2ccccc21 ZINC000054464644 523962002 /nfs/dbraw/zinc/96/20/02/523962002.db2.gz IZYJAOVYLBZHOT-GFCCVEGCSA-N 1 0 250.367 2.137 10 0 CEAERO C[N@@H+]1CC[C@H](Nc2cc(Cl)ccc2C(N)=S)C1 ZINC000062788228 523988534 /nfs/dbraw/zinc/98/85/34/523988534.db2.gz ZFFDGZVYQLVZFE-VIFPVBQESA-N 1 0 269.801 2.090 10 0 CEAERO COC(=O)[C@](C)([NH3+])C[C@@H](C)Sc1nc2ccccc2[nH]1 ZINC000068635355 524002411 /nfs/dbraw/zinc/00/24/11/524002411.db2.gz BGZPOJGRZPWONJ-YMTOWFKASA-N 1 0 293.392 2.324 10 0 CEAERO COCCOCCN1C[C@@H](C(C)C)[NH2+]CC12CCCCC2 ZINC000068704807 524003107 /nfs/dbraw/zinc/00/31/07/524003107.db2.gz GJGBAWNMLHNTOW-INIZCTEOSA-N 1 0 298.471 2.282 10 0 CEAERO COC(=O)[C@](C[N@H+](C)CCC(C)C)(NC1CC1)C1CC1 ZINC000069183696 524004098 /nfs/dbraw/zinc/00/40/98/524004098.db2.gz ZIHLGAXZMUDPBF-MRXNPFEDSA-N 1 0 282.428 2.038 10 0 CEAERO COC(=O)[C@](C[N@H+]1C[C@H](C)C[C@H](C)C1)(NC(C)C)C1CC1 ZINC000069091865 524004609 /nfs/dbraw/zinc/00/46/09/524004609.db2.gz NASOKQLIIAQGFF-JKIFEVAISA-N 1 0 296.455 2.284 10 0 CEAERO COc1ccc(CN(C)Cc2cccnc2C(N)=[NH2+])cc1 ZINC000061658122 524007299 /nfs/dbraw/zinc/00/72/99/524007299.db2.gz OJQHOKFZYJYWIQ-UHFFFAOYSA-N 1 0 284.363 2.006 10 0 CEAERO COCCO[C@@H](C[NH2+]C1CC1)c1ccc(F)cc1 ZINC000050495918 524029292 /nfs/dbraw/zinc/02/92/92/524029292.db2.gz BTFJMDFKLBMKAM-AWEZNQCLSA-N 1 0 253.317 2.282 10 0 CEAERO CN1c2ccc([C@H]([NH3+])c3ccco3)cc2CCC1=O ZINC000062806379 524033142 /nfs/dbraw/zinc/03/31/42/524033142.db2.gz NXBCIYRCWHRCFY-HNNXBMFYSA-N 1 0 256.305 2.237 10 0 CEAERO CCc1ccc([C@@H]([NH3+])CN2CCOCC2(C)C)cc1 ZINC000048927459 524033194 /nfs/dbraw/zinc/03/31/94/524033194.db2.gz YPKMOJIREXTYFA-HNNXBMFYSA-N 1 0 262.397 2.360 10 0 CEAERO CCc1cccc(-n2nnnc2C[NH2+]C(C)(C)C)c1 ZINC000054744476 524061816 /nfs/dbraw/zinc/06/18/16/524061816.db2.gz GEXKGGHQXPSNFD-UHFFFAOYSA-N 1 0 259.357 2.113 10 0 CEAERO CNC(=O)CCCOc1ccc(C[C@H](C)[NH3+])cc1Cl ZINC000068820345 524065562 /nfs/dbraw/zinc/06/55/62/524065562.db2.gz YTPBKCCUOHWAAQ-JTQLQIEISA-N 1 0 284.787 2.135 10 0 CEAERO C[C@@H]1CCCC[C@@H]1Cn1nnnc1C[NH2+]C(C)(C)C ZINC000054747021 524126329 /nfs/dbraw/zinc/12/63/29/524126329.db2.gz TVMJGGNJFWFFMR-VXGBXAGGSA-N 1 0 265.405 2.388 10 0 CEAERO C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000163455787 524138176 /nfs/dbraw/zinc/13/81/76/524138176.db2.gz FFAAQXGTTRQYMQ-GHMZBOCLSA-N 1 0 268.323 2.028 10 0 CEAERO COc1cccc([C@H](O)[C@H]([NH3+])Cc2ccccc2)c1OC ZINC000054685518 524167699 /nfs/dbraw/zinc/16/76/99/524167699.db2.gz VWVNSUQFBFEPKK-ZBFHGGJFSA-N 1 0 287.359 2.307 10 0 CEAERO C[C@H](CC[NH+](C)C)Nc1ncc(Br)cc1N ZINC000049555431 524170511 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Cc1nccn1C[C@@H]1CCC[N@@H+]1CCOCC1CC1 ZINC000178308076 534780436 /nfs/dbraw/zinc/78/04/36/534780436.db2.gz ORZVQKWIJPRGRK-HNNXBMFYSA-N 1 0 263.385 2.083 10 0 CEAERO Cc1ccc(C[NH3+])cc1N1C(=O)CC2(CCCC2)C1=O ZINC000050430518 524425048 /nfs/dbraw/zinc/42/50/48/524425048.db2.gz QYKLTKGFIGOZGN-UHFFFAOYSA-N 1 0 272.348 2.277 10 0 CEAERO C[C@@H]1CCN(C(=O)Nc2ccc(F)cc2)C[C@@H]1[NH3+] ZINC000070146359 524470163 /nfs/dbraw/zinc/47/01/63/524470163.db2.gz CHBQPGUDDMKOQO-SKDRFNHKSA-N 1 0 251.305 2.027 10 0 CEAERO COc1ccccc1Cn1nc(C)c(C[C@H](C)[NH3+])c1C ZINC000054741142 524521920 /nfs/dbraw/zinc/52/19/20/524521920.db2.gz OKQHONQPZURHDI-NSHDSACASA-N 1 0 273.380 2.447 10 0 CEAERO C[C@@H](CCc1ccco1)[NH2+]Cc1ccccc1C(N)=O ZINC000049566496 524547591 /nfs/dbraw/zinc/54/75/91/524547591.db2.gz DBBDVMYKZLVBMN-LBPRGKRZSA-N 1 0 272.348 2.489 10 0 CEAERO Cc1cc(C)nc(-n2cc(CCC[NH2+]C(C)C)cn2)n1 ZINC000054670166 524574154 /nfs/dbraw/zinc/57/41/54/524574154.db2.gz OLJRIRZIWFIFSG-UHFFFAOYSA-N 1 0 273.384 2.210 10 0 CEAERO C[C@@H](C[NH3+])c1nc(-c2ccc3ncccc3c2)no1 ZINC000062801519 524586203 /nfs/dbraw/zinc/58/62/03/524586203.db2.gz DHRVTOQODCUEOS-VIFPVBQESA-N 1 0 254.293 2.347 10 0 CEAERO C[C@@H](C[NH+]1CCCC1)NCC(=O)Nc1ccccc1Cl ZINC000049180347 524593456 /nfs/dbraw/zinc/59/34/56/524593456.db2.gz AXOZZYJIVGZBBF-LBPRGKRZSA-N 1 0 295.814 2.352 10 0 CEAERO C[C@@H](CN1CCCC1)[NH2+][C@H]1CCc2c1cccc2O ZINC000049150492 524595849 /nfs/dbraw/zinc/59/58/49/524595849.db2.gz LFAAYEYBTKPVNZ-WFASDCNBSA-N 1 0 260.381 2.453 10 0 CEAERO C[C@@H](CN1CCCCC1)[NH2+]CCCOCC(F)(F)F ZINC000049501063 524604359 /nfs/dbraw/zinc/60/43/59/524604359.db2.gz HTORDJCOWGHQRB-LBPRGKRZSA-N 1 0 282.350 2.419 10 0 CEAERO C[C@@H]1CC[C@H](C(=O)Nc2cc(F)c(F)c(F)c2)C[NH2+]1 ZINC000061120289 524637775 /nfs/dbraw/zinc/63/77/75/524637775.db2.gz DEDYAZOXWBDPQS-SFYZADRCSA-N 1 0 272.270 2.431 10 0 CEAERO Cc1cccc(NC(=O)[C@@](C)([NH3+])c2ccccc2)n1 ZINC000052881306 524652686 /nfs/dbraw/zinc/65/26/86/524652686.db2.gz YHQCOTABBHLHLW-HNNXBMFYSA-N 1 0 255.321 2.203 10 0 CEAERO Cc1cc(C[NH3+])nc(-c2cc(F)c(F)c(F)c2)n1 ZINC000054830810 524671917 /nfs/dbraw/zinc/67/19/17/524671917.db2.gz CZHZVZSZZRXRAB-UHFFFAOYSA-N 1 0 253.227 2.328 10 0 CEAERO COc1ccccc1O[C@H](C)C[NH2+]C[C@@H]1CCCO1 ZINC000053567033 524693300 /nfs/dbraw/zinc/69/33/00/524693300.db2.gz FSOWEEVWDXYSIT-OLZOCXBDSA-N 1 0 265.353 2.231 10 0 CEAERO C[C@@H](C[NH2+]C[C@H]1CCCO1)N(CC(F)(F)F)C1CC1 ZINC000053494601 524740616 /nfs/dbraw/zinc/74/06/16/524740616.db2.gz SLZPXLOWPAIEMT-CMPLNLGQSA-N 1 0 280.334 2.170 10 0 CEAERO C[C@H](Cc1ccco1)[NH2+]C1CCN(c2ncccn2)CC1 ZINC000062769988 524746575 /nfs/dbraw/zinc/74/65/75/524746575.db2.gz WXVQPSSGFLJWSH-CYBMUJFWSA-N 1 0 286.379 2.259 10 0 CEAERO Cc1cc(C[NH2+]C(C)(C)C)nc(-c2cnccn2)n1 ZINC000054832071 524751168 /nfs/dbraw/zinc/75/11/68/524751168.db2.gz WQQLULBJSGQDLO-UHFFFAOYSA-N 1 0 257.341 2.130 10 0 CEAERO C[C@@H]1CN(C(=O)C(F)(F)F)[C@H](c2ccccc2)C[NH2+]1 ZINC000062666112 524755846 /nfs/dbraw/zinc/75/58/46/524755846.db2.gz DPNMPCQNPRITBS-KOLCDFICSA-N 1 0 272.270 2.110 10 0 CEAERO COc1ccc(OC)c(-c2nc([C@@H]3CCC[NH2+]C3)no2)c1 ZINC000062257686 524795563 /nfs/dbraw/zinc/79/55/63/524795563.db2.gz FTFIXZHVSQVQFB-SNVBAGLBSA-N 1 0 289.335 2.221 10 0 CEAERO COc1ccc(OC)c(C(=O)N2[C@@H](C)CCC[C@H]2C[NH3+])c1 ZINC000070152800 524807594 /nfs/dbraw/zinc/80/75/94/524807594.db2.gz HQDAVEMOTWOLFB-RYUDHWBXSA-N 1 0 292.379 2.046 10 0 CEAERO Cc1ccc(F)c(NC(=O)C2(C)CC[NH2+]CC2)c1 ZINC000062839714 524816242 /nfs/dbraw/zinc/81/62/42/524816242.db2.gz APMXSLSZRCFYCH-UHFFFAOYSA-N 1 0 250.317 2.462 10 0 CEAERO COc1ccccc1[S@@](=O)C1CCC([NH3+])CC1 ZINC000055144908 524821146 /nfs/dbraw/zinc/82/11/46/524821146.db2.gz ABLPAOLUYJYHRU-NQMJSUOBSA-N 1 0 253.367 2.073 10 0 CEAERO C[C@H]([NH3+])C(=O)NCc1ccnc(OC2CCC(C)CC2)c1 ZINC000157330767 524821553 /nfs/dbraw/zinc/82/15/53/524821553.db2.gz WGTWMNOIPVJBSJ-LXVYMNJGSA-N 1 0 291.395 2.003 10 0 CEAERO C[C@H]([NH3+])[C@@](O)(c1ccc(F)c(F)c1)C(F)(F)F ZINC000062784725 524847196 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C[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H]1CCC[C@@H](C)[NH2+]1 ZINC000062035364 524891429 /nfs/dbraw/zinc/89/14/29/524891429.db2.gz VDMAULNXIFZLKZ-TYNCELHUSA-N 1 0 278.371 2.404 10 0 CEAERO Cc1ccc(N)c(C(=O)N(CC[NH+](C)C)CC(C)C)c1 ZINC000053002615 524902631 /nfs/dbraw/zinc/90/26/31/524902631.db2.gz KDOQXTZYFPKFFY-UHFFFAOYSA-N 1 0 277.412 2.237 10 0 CEAERO COc1ccc(OCCN2C[C@H](C)[NH2+]C[C@H]2C(C)C)cc1 ZINC000062707646 524955810 /nfs/dbraw/zinc/95/58/10/524955810.db2.gz STNYASBRFMFUKP-YOEHRIQHSA-N 1 0 292.423 2.392 10 0 CEAERO COc1ccc(OC[C@@H]2CCOC2)c(C[C@H](C)[NH3+])c1 ZINC000049689846 524971432 /nfs/dbraw/zinc/97/14/32/524971432.db2.gz LYQXFALHPQGLJJ-NWDGAFQWSA-N 1 0 265.353 2.000 10 0 CEAERO C[C@@H]1C[NH2+]CCN1Cc1noc(-c2ccccc2Cl)n1 ZINC000054373829 525093177 /nfs/dbraw/zinc/09/31/77/525093177.db2.gz VPNNHNBIAFUTBH-SNVBAGLBSA-N 1 0 292.770 2.184 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C)N1C(=O)c1c(F)cccc1Cl ZINC000069132565 525094867 /nfs/dbraw/zinc/09/48/67/525094867.db2.gz VRGQXMVWYASWGK-RKDXNWHRSA-N 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XUCSYPNIHZZNPE-SECBINFHSA-N 1 0 288.376 2.188 10 0 CEAERO Cc1c(Cl)cccc1-n1nnnc1C[NH2+]C(C)C ZINC000054744826 525750900 /nfs/dbraw/zinc/75/09/00/525750900.db2.gz XIZYLONCJZYXOV-UHFFFAOYSA-N 1 0 265.748 2.122 10 0 CEAERO Cc1ccc([C@@H](C[NH3+])N(CCO)Cc2ccccc2)cc1 ZINC000050513930 525756759 /nfs/dbraw/zinc/75/67/59/525756759.db2.gz WIRQNEXYLWWOMG-GOSISDBHSA-N 1 0 284.403 2.489 10 0 CEAERO C[C@@H](O)c1ccc(NC(=O)N[C@H](C)C[NH+]2CCCC2)cc1 ZINC000049189589 525869982 /nfs/dbraw/zinc/86/99/82/525869982.db2.gz QZUXSJLXEFDDPI-CHWSQXEVSA-N 1 0 291.395 2.346 10 0 CEAERO C[C@@H](O)c1cccc(NC(=O)N2CCC[C@H]2C[NH+](C)C)c1 ZINC000061655759 525870197 /nfs/dbraw/zinc/87/01/97/525870197.db2.gz BKBCOMNOUFHGGB-DOMZBBRYSA-N 1 0 291.395 2.298 10 0 CEAERO C[C@@]1(c2ccccc2)C[NH2+]CCN1Cc1ccccn1 ZINC000068696579 525904065 /nfs/dbraw/zinc/90/40/65/525904065.db2.gz UBCCNPPSJTUTOB-KRWDZBQOSA-N 1 0 267.376 2.402 10 0 CEAERO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COCCOC(C)C)cc1 ZINC000049556583 525924973 /nfs/dbraw/zinc/92/49/73/525924973.db2.gz SVUDPJMOMXFBQW-RDJZCZTQSA-N 1 0 295.423 2.448 10 0 CEAERO COc1cccc(CNC(=O)[C@](C)([NH3+])c2ccccc2)c1 ZINC000052881995 526001489 /nfs/dbraw/zinc/00/14/89/526001489.db2.gz BEXFADZEYIURLH-QGZVFWFLSA-N 1 0 284.359 2.186 10 0 CEAERO COc1cccc(C[NH2+][C@@H](CN(C)C)C(C)C)c1OC ZINC000049196496 526031044 /nfs/dbraw/zinc/03/10/44/526031044.db2.gz YBVKGFYSKDLFKC-AWEZNQCLSA-N 1 0 280.412 2.380 10 0 CEAERO CSc1ccc(NC(=O)c2cc[nH+]c(NN)c2)cc1 ZINC000051089898 526040595 /nfs/dbraw/zinc/04/05/95/526040595.db2.gz YHLONBKHDBCVFT-UHFFFAOYSA-N 1 0 274.349 2.341 10 0 CEAERO Cc1cc(-c2nnco2)ccc1NC(=O)CCCC[NH3+] ZINC000070202224 526060073 /nfs/dbraw/zinc/06/00/73/526060073.db2.gz UMLFKXSYHFYHFN-UHFFFAOYSA-N 1 0 274.324 2.113 10 0 CEAERO COc1cccc(Cn2nc(C)c(CC[NH3+])c2C)c1 ZINC000062802720 526111574 /nfs/dbraw/zinc/11/15/74/526111574.db2.gz WCPBYFWQZIFERJ-UHFFFAOYSA-N 1 0 259.353 2.058 10 0 CEAERO C[C@H](C(=O)Nc1cccc2cnccc21)C1C[NH2+]C1 ZINC000163956530 526159888 /nfs/dbraw/zinc/15/98/88/526159888.db2.gz DSIJPSLRMBUOCF-JTQLQIEISA-N 1 0 255.321 2.029 10 0 CEAERO COc1cccc(NC(=O)N2[C@@H](C[NH3+])CCC[C@@H]2C)c1 ZINC000070153092 526189987 /nfs/dbraw/zinc/18/99/87/526189987.db2.gz CXESASAYOWBDKJ-WCQYABFASA-N 1 0 277.368 2.429 10 0 CEAERO Cc1ccc(C(N)=O)c(N[C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000063214457 526251798 /nfs/dbraw/zinc/25/17/98/526251798.db2.gz LNIBARVJRXOKBJ-QWHCGFSZSA-N 1 0 261.369 2.166 10 0 CEAERO Cc1cc(C(=O)N2[C@H](C)CCC[C@@H]2C[NH3+])c(C)o1 ZINC000070152353 526263151 /nfs/dbraw/zinc/26/31/51/526263151.db2.gz GUAGAQHEZNKZGX-BXKDBHETSA-N 1 0 250.342 2.238 10 0 CEAERO Cc1cnn(C[C@@H]2CC[C@@H](C[NH2+]C(C)(C)C)O2)c1 ZINC000052576996 526264237 /nfs/dbraw/zinc/26/42/37/526264237.db2.gz BOUAUMVLZRQSIS-STQMWFEESA-N 1 0 251.374 2.127 10 0 CEAERO C[C@H]1CCCN(C(=O)[C@@H](C[NH3+])c2ccccc2)[C@H]1C ZINC000061613313 526266217 /nfs/dbraw/zinc/26/62/17/526266217.db2.gz CHEJVIDTFMVNPU-YDHLFZDLSA-N 1 0 260.381 2.376 10 0 CEAERO Cc1nn(C[C@@H]2CC[C@@H](C[NH2+]C3CC3)O2)c(C)c1C ZINC000052591648 526285497 /nfs/dbraw/zinc/28/54/97/526285497.db2.gz IVJARZTXPUWVFT-GJZGRUSLSA-N 1 0 263.385 2.108 10 0 CEAERO Cc1nn(C[C@@H]2CCOC2)c(C)c1C[NH2+]CC(C)C ZINC000054717621 526285556 /nfs/dbraw/zinc/28/55/56/526285556.db2.gz JPTRATSTJZHSDO-AWEZNQCLSA-N 1 0 265.401 2.282 10 0 CEAERO Fc1cc(F)cc(-c2nnc(CC[NH2+]C3CC3)o2)c1 ZINC000050620366 526306230 /nfs/dbraw/zinc/30/62/30/526306230.db2.gz OVSWXBQXGIBASX-UHFFFAOYSA-N 1 0 265.263 2.309 10 0 CEAERO Cc1nnc(N(C)Cc2ccccc2F)c(C(N)=[NH2+])c1C ZINC000048873902 526352115 /nfs/dbraw/zinc/35/21/15/526352115.db2.gz PFZGXAFZKLMYRU-UHFFFAOYSA-N 1 0 287.342 2.153 10 0 CEAERO Cc1csc(CNC[C@@H]2Cc3ccccc3C[NH2+]2)n1 ZINC000049539146 526357128 /nfs/dbraw/zinc/35/71/28/526357128.db2.gz YZICOAAAGZXYBM-AWEZNQCLSA-N 1 0 273.405 2.256 10 0 CEAERO Cc1csc(Cc2noc(CCCCCC[NH3+])n2)n1 ZINC000055266215 526369668 /nfs/dbraw/zinc/36/96/68/526369668.db2.gz KHCMGHBLOGQOSF-UHFFFAOYSA-N 1 0 280.397 2.487 10 0 CEAERO Cc1nnc(OCCc2cccs2)c(C(N)=[NH2+])c1C ZINC000049585690 526376713 /nfs/dbraw/zinc/37/67/13/526376713.db2.gz BHHYAKUMTKJGGH-UHFFFAOYSA-N 1 0 276.365 2.061 10 0 CEAERO O=C(CCC1CC[NH2+]CC1)Nc1ccc(Cl)cn1 ZINC000050940983 526412441 /nfs/dbraw/zinc/41/24/41/526412441.db2.gz RIWMUNLAWWCHFP-UHFFFAOYSA-N 1 0 267.760 2.453 10 0 CEAERO c1cc(Cn2nnc3ccccc32)c(C[NH2+]C2CC2)o1 ZINC000052576613 526431740 /nfs/dbraw/zinc/43/17/40/526431740.db2.gz JNMIMYSNPCCHJR-UHFFFAOYSA-N 1 0 268.320 2.325 10 0 CEAERO O=C([C@@H]1CC12CC[NH2+]CC2)N(Cc1ccco1)C1CC1 ZINC000070253971 526461467 /nfs/dbraw/zinc/46/14/67/526461467.db2.gz RUTGJFQPKFTFCC-AWEZNQCLSA-N 1 0 274.364 2.160 10 0 CEAERO c1ccc(C[C@H]2CN(C[C@@H]3CCCCO3)CC[NH2+]2)cc1 ZINC000068694612 526476377 /nfs/dbraw/zinc/47/63/77/526476377.db2.gz OZDWCTJSRAPPBM-IRXDYDNUSA-N 1 0 274.408 2.072 10 0 CEAERO c1ccc(C[C@@H]2CN(Cc3ccccn3)CC[NH2+]2)cc1 ZINC000068694608 526476627 /nfs/dbraw/zinc/47/66/27/526476627.db2.gz YMYUYDZACADZOR-QGZVFWFLSA-N 1 0 267.376 2.098 10 0 CEAERO c1ccc(C[C@@H]2CN(Cc3cccnc3)CC[NH2+]2)cc1 ZINC000068694684 526477082 /nfs/dbraw/zinc/47/70/82/526477082.db2.gz WGISEHDHIZRXLV-QGZVFWFLSA-N 1 0 267.376 2.098 10 0 CEAERO c1cnc2c(c1)cccc2CN1CC[NH2+][C@H](C2CC2)C1 ZINC000068692684 526542442 /nfs/dbraw/zinc/54/24/42/526542442.db2.gz MZPNFSHLMVMGGQ-INIZCTEOSA-N 1 0 267.376 2.419 10 0 CEAERO O=C([C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1Cc2ccccc2C1 ZINC000050912440 526565058 /nfs/dbraw/zinc/56/50/58/526565058.db2.gz NYTGFSCHLUVXTM-VBNZEHGJSA-N 1 0 270.376 2.450 10 0 CEAERO c1nc2ccccc2n1C[C@H]1CC[C@@H](C[NH2+]C2CC2)O1 ZINC000052576444 526609677 /nfs/dbraw/zinc/60/96/77/526609677.db2.gz CNXVDXGPSGZKLY-UONOGXRCSA-N 1 0 271.364 2.336 10 0 CEAERO c1nn(C[C@H]2CC[C@H](C[NH2+]C3CC3)O2)c2ccccc12 ZINC000052574221 526619654 /nfs/dbraw/zinc/61/96/54/526619654.db2.gz PCBVRLHLNKHHJA-HUUCEWRRSA-N 1 0 271.364 2.336 10 0 CEAERO c1nnc(CCC2CC[NH2+]CC2)n1-c1ccccc1 ZINC000054526691 526622345 /nfs/dbraw/zinc/62/23/45/526622345.db2.gz NAIMRXSPRGNQHI-UHFFFAOYSA-N 1 0 256.353 2.200 10 0 CEAERO Cc1nc(-c2ncccn2)nc(C)c1C[NH2+]C(C)(C)C ZINC000054854466 526625141 /nfs/dbraw/zinc/62/51/41/526625141.db2.gz AUZYJODSSKQSRQ-UHFFFAOYSA-N 1 0 271.368 2.439 10 0 CEAERO Cc1nonc1COc1ccc(CC[NH3+])cc1Cl ZINC000070269311 526703169 /nfs/dbraw/zinc/70/31/69/526703169.db2.gz VLXXIHCOWBQHQN-UHFFFAOYSA-N 1 0 267.716 2.112 10 0 CEAERO Cc1oc(C[NH2+]C2CC2)cc1CN1CCOC[C@H]1C ZINC000052476090 526774922 /nfs/dbraw/zinc/77/49/22/526774922.db2.gz PVQNJKYFHBKATO-LLVKDONJSA-N 1 0 264.369 2.061 10 0 CEAERO Cc1nc(CC(F)(F)F)nc(C)c1C[NH2+]C1CC1 ZINC000054854421 526802648 /nfs/dbraw/zinc/80/26/48/526802648.db2.gz FGUIBENNGDRLBM-UHFFFAOYSA-N 1 0 259.275 2.450 10 0 CEAERO NC(=[NH2+])C[C@@H](Sc1nccc(=O)[nH]1)c1ccccc1 ZINC000055024219 526816011 /nfs/dbraw/zinc/81/60/11/526816011.db2.gz FGEPTHIIXMJTGG-SNVBAGLBSA-N 1 0 274.349 2.342 10 0 CEAERO NC(=[NH2+])c1c(Cl)cccc1N(CCO)C1CCCC1 ZINC000052905701 526818868 /nfs/dbraw/zinc/81/88/68/526818868.db2.gz QOLMEMVVZMOPNY-UHFFFAOYSA-N 1 0 281.787 2.365 10 0 CEAERO NC(=[NH2+])c1c(F)cccc1-n1cnc2ccccc21 ZINC000062714684 526819959 /nfs/dbraw/zinc/81/99/59/526819959.db2.gz SKJQNMINZDSTRY-UHFFFAOYSA-N 1 0 254.268 2.449 10 0 CEAERO NC(=[NH2+])c1ccc(Cl)cc1N1CCSCC1 ZINC000062788774 526822048 /nfs/dbraw/zinc/82/20/48/526822048.db2.gz DFGXOYYDXPYGRH-UHFFFAOYSA-N 1 0 255.774 2.177 10 0 CEAERO O=C(N[C@@H]1CCCC[NH2+]C1)c1cccc(Br)c1 ZINC000070120263 526884174 /nfs/dbraw/zinc/88/41/74/526884174.db2.gz FKBFTGLUJRZATF-GFCCVEGCSA-N 1 0 297.196 2.321 10 0 CEAERO Cc1sc2[nH]c(C[NH2+][C@@H]3C[C@@H]3C)nc(=O)c2c1C ZINC000052287575 526885622 /nfs/dbraw/zinc/88/56/22/526885622.db2.gz ZAHASXQUKFFBAV-IMTBSYHQSA-N 1 0 263.366 2.099 10 0 CEAERO Cc1nc(CNC[C@@H](C[NH3+])c2ccccc2)cs1 ZINC000061613669 526886897 /nfs/dbraw/zinc/88/68/97/526886897.db2.gz IXWSDWFPOYYGKD-CYBMUJFWSA-N 1 0 261.394 2.284 10 0 CEAERO CC(=O)Nc1cc(N[C@@H](C)[C@H]2CC[NH2+]C2)ccc1F ZINC000400444316 526927736 /nfs/dbraw/zinc/92/77/36/526927736.db2.gz NFMUTVZEHJICOJ-ONGXEEELSA-N 1 0 265.332 2.194 10 0 CEAERO O=C1C(=O)N(CCC[NH2+]C2CC2)c2c1c(Cl)ccc2F ZINC000048785416 526950906 /nfs/dbraw/zinc/95/09/06/526950906.db2.gz OBQUUXLMUQMUJW-UHFFFAOYSA-N 1 0 296.729 2.151 10 0 CEAERO NC(=O)[C@@H]([NH2+]C[C@H]1CCCO1)c1csc2ccccc21 ZINC000054464864 526956160 /nfs/dbraw/zinc/95/61/60/526956160.db2.gz BNBIXGMVEKFDEZ-YGRLFVJLSA-N 1 0 290.388 2.196 10 0 CEAERO NC(=O)c1ccc(Cl)cc1N1C[C@@H]2C[C@H]([NH3+])CC[C@@H]2C1 ZINC000062785750 527053626 /nfs/dbraw/zinc/05/36/26/527053626.db2.gz FMRUAXSQRPCVGJ-JFGNBEQYSA-N 1 0 293.798 2.003 10 0 CEAERO O=C(N[C@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cccc(F)c1F ZINC000054188560 527068633 /nfs/dbraw/zinc/06/86/33/527068633.db2.gz VHAMCKZNYVFCSZ-AXFHLTTASA-N 1 0 280.318 2.083 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000054290976 527119299 /nfs/dbraw/zinc/11/92/99/527119299.db2.gz GXJNCTYKURPPSO-SOUVJXGZSA-N 1 0 264.413 2.415 10 0 CEAERO Cc1[nH+]c2cc(N)ccc2n1Cc1cnc(C)cn1 ZINC000061322713 527123633 /nfs/dbraw/zinc/12/36/33/527123633.db2.gz NRGDBQGOIKQQRX-UHFFFAOYSA-N 1 0 253.309 2.074 10 0 CEAERO [NH3+]CCCCC(=O)N[C@H]1CCCC[C@H]1C(F)(F)F ZINC000070202175 527171443 /nfs/dbraw/zinc/17/14/43/527171443.db2.gz OULWMEARSSNIGY-ZJUUUORDSA-N 1 0 266.307 2.353 10 0 CEAERO [NH3+]CCCN(C(=O)CC1CC1)c1ccc(F)cc1 ZINC000049728582 527177061 /nfs/dbraw/zinc/17/70/61/527177061.db2.gz LVHDEHQPIKIWDI-UHFFFAOYSA-N 1 0 250.317 2.308 10 0 CEAERO [NH3+]CCCc1nnc(-c2ccccc2OC(F)F)o1 ZINC000050283586 527182771 /nfs/dbraw/zinc/18/27/71/527182771.db2.gz BUQVTBWKZGUCDB-UHFFFAOYSA-N 1 0 269.251 2.229 10 0 CEAERO [NH3+]CCCc1noc(Cc2cccc(Br)c2)n1 ZINC000054139327 527184461 /nfs/dbraw/zinc/18/44/61/527184461.db2.gz VEMNZAFRKSIUME-UHFFFAOYSA-N 1 0 296.168 2.314 10 0 CEAERO [NH3+]CC[C@@H]1CCCN(C(=O)c2cccn2C2CC2)C1 ZINC000070169880 527192058 /nfs/dbraw/zinc/19/20/58/527192058.db2.gz DLUYUJUDYIADSC-LBPRGKRZSA-N 1 0 261.369 2.024 10 0 CEAERO [NH3+]C[C@@H](c1ccc2c(c1)OCO2)N1Cc2ccccc2C1 ZINC000050910658 527207405 /nfs/dbraw/zinc/20/74/05/527207405.db2.gz ZUGWRDZBMSMZDT-HNNXBMFYSA-N 1 0 282.343 2.431 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1Sc1nnc2ccccn21 ZINC000061407154 527209082 /nfs/dbraw/zinc/20/90/82/527209082.db2.gz KXPQAANGHNFWQQ-QWRGUYRKSA-N 1 0 262.382 2.339 10 0 CEAERO [NH3+]C[C@H](CCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000052946542 527225427 /nfs/dbraw/zinc/22/54/27/527225427.db2.gz GNDDLISMXRIXGG-GJZGRUSLSA-N 1 0 281.421 2.019 10 0 CEAERO Cn1cc(C[C@H]([NH3+])c2ccc(Br)cc2)cn1 ZINC000050542313 527232145 /nfs/dbraw/zinc/23/21/45/527232145.db2.gz DTSKPGCEAZLNEX-LBPRGKRZSA-N 1 0 280.169 2.425 10 0 CEAERO [NH3+]C[C@](O)(c1ccc(Br)s1)C1CC1 ZINC000049850153 527242243 /nfs/dbraw/zinc/24/22/43/527242243.db2.gz KWZFSQGLJRKIQL-SECBINFHSA-N 1 0 262.172 2.067 10 0 CEAERO [NH3+]Cc1cnc(N(CC(F)(F)F)C2CC2)s1 ZINC000054896553 527261898 /nfs/dbraw/zinc/26/18/98/527261898.db2.gz MGRSMPXALSSPQJ-UHFFFAOYSA-N 1 0 251.277 2.133 10 0 CEAERO [NH3+]Cc1cnn(Cc2ccc(Br)cc2F)c1 ZINC000054716782 527264421 /nfs/dbraw/zinc/26/44/21/527264421.db2.gz ZGYZJFLGJKYXOL-UHFFFAOYSA-N 1 0 284.132 2.292 10 0 CEAERO [NH3+]Cc1sc(N2CCO[C@@H]3CCC[C@H]32)nc1C1CC1 ZINC000069180393 527268393 /nfs/dbraw/zinc/26/83/93/527268393.db2.gz KGFQCBYBSMAQDL-GHMZBOCLSA-N 1 0 279.409 2.237 10 0 CEAERO [NH3+]Cc1sc(N2CCO[C@H]3CCC[C@H]32)nc1C1CC1 ZINC000069180396 527268950 /nfs/dbraw/zinc/26/89/50/527268950.db2.gz KGFQCBYBSMAQDL-MNOVXSKESA-N 1 0 279.409 2.237 10 0 CEAERO NNc1ccc(C(=O)Nc2cnc3ccccc3c2)c[nH+]1 ZINC000055142766 527278557 /nfs/dbraw/zinc/27/85/57/527278557.db2.gz GNNBOHGGMPOQFH-UHFFFAOYSA-N 1 0 279.303 2.168 10 0 CEAERO O=S1(=O)CCC[C@H]([NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000069142723 527304536 /nfs/dbraw/zinc/30/45/36/527304536.db2.gz BRQGNYCKDPJIIX-LSDHHAIUSA-N 1 0 297.395 2.444 10 0 CEAERO O=S1(=O)CC[C@H]([C@H](C[NH2+]C2CC2)Cc2ccsc2)C1 ZINC000052951724 527312865 /nfs/dbraw/zinc/31/28/65/527312865.db2.gz DUYBRIIQDPUYLU-STQMWFEESA-N 1 0 299.461 2.094 10 0 CEAERO [NH3+][C@@H](c1nnc2ccc(C(F)(F)F)cn21)C1CC1 ZINC000054502404 527340347 /nfs/dbraw/zinc/34/03/47/527340347.db2.gz JZRMFONXVGOCRM-SECBINFHSA-N 1 0 256.231 2.158 10 0 CEAERO Cc1nccc(N(CCC(N)=[NH2+])c2ccccc2)n1 ZINC000054935589 527344050 /nfs/dbraw/zinc/34/40/50/527344050.db2.gz QVASYMVYGMAAJR-UHFFFAOYSA-N 1 0 255.325 2.249 10 0 CEAERO [NH3+][C@@H]1CCc2c1cccc2OCC(=O)NC1CCCC1 ZINC000062798855 527372923 /nfs/dbraw/zinc/37/29/23/527372923.db2.gz SFXKFIFGOBYEJR-CQSZACIVSA-N 1 0 274.364 2.070 10 0 CEAERO [NH3+][C@@H]1Cc2ccccc2N(C(=O)c2cccn2C2CC2)C1 ZINC000070195890 527377024 /nfs/dbraw/zinc/37/70/24/527377024.db2.gz PNWFOMYFEGGBLM-CYBMUJFWSA-N 1 0 281.359 2.353 10 0 CEAERO [NH3+][C@@H]1c2ccccc2OC[C@@H]1N1Cc2ccccc2C1 ZINC000050910912 527378137 /nfs/dbraw/zinc/37/81/37/527378137.db2.gz KOCPMKMAGYMXMF-DOTOQJQBSA-N 1 0 266.344 2.463 10 0 CEAERO [NH3+][C@H](CC[C@H]1CCCCO1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000069388872 527385283 /nfs/dbraw/zinc/38/52/83/527385283.db2.gz WXMAARULDXKYOH-VXGBXAGGSA-N 1 0 275.352 2.205 10 0 CEAERO [NH3+][C@H](Cc1csc(N2CCOCC2)n1)c1ccccc1 ZINC000054864148 527390833 /nfs/dbraw/zinc/39/08/33/527390833.db2.gz RSXPSVVFVRBKBV-CQSZACIVSA-N 1 0 289.404 2.222 10 0 CEAERO [NH3+][C@H](c1cnccn1)c1ccccc1Br ZINC000069049240 527393091 /nfs/dbraw/zinc/39/30/91/527393091.db2.gz BFMDXJFKVYKLIW-NSHDSACASA-N 1 0 264.126 2.287 10 0 CEAERO [NH3+][C@H]1CCCCC[C@H]1S(=O)(=O)c1ccccc1 ZINC000061702604 527394975 /nfs/dbraw/zinc/39/49/75/527394975.db2.gz CYPZWKGDOHMZSH-QWHCGFSZSA-N 1 0 253.367 2.120 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)c1cccc2cccnc21 ZINC000061416120 527396616 /nfs/dbraw/zinc/39/66/16/527396616.db2.gz CYTIUJYMPLTWDV-KBPBESRZSA-N 1 0 269.348 2.235 10 0 CEAERO [NH3+][C@H]1CCCc2cc(OC[C@H](O)C(F)(F)F)ccc21 ZINC000068877249 527409911 /nfs/dbraw/zinc/40/99/11/527409911.db2.gz ASWNOZIVKUBAEE-RYUDHWBXSA-N 1 0 275.270 2.325 10 0 CEAERO [NH3+][C@H]1COc2cc(OC[C@H](O)c3ccccc3)ccc21 ZINC000062803658 527417893 /nfs/dbraw/zinc/41/78/93/527417893.db2.gz OOOHVHBBKAXODN-GJZGRUSLSA-N 1 0 271.316 2.191 10 0 CEAERO O=c1[nH]c(OC[C@H]2CCCC[NH2+]2)cc2ccccc21 ZINC000051883264 527442028 /nfs/dbraw/zinc/44/20/28/527442028.db2.gz AVNSLLKBXCRIDK-GFCCVEGCSA-N 1 0 258.321 2.049 10 0 CEAERO Cc1ncn(C[C@@H]2CC[C@H](C[NH2+]CC(C)C)O2)c1C ZINC000052593731 527463642 /nfs/dbraw/zinc/46/36/42/527463642.db2.gz JANYMAROEHFQSI-CABCVRRESA-N 1 0 265.401 2.293 10 0 CEAERO Nc1cccc(OCCC[N@@H+]2CCC[C@H]2CCCO)c1 ZINC000052756987 527519136 /nfs/dbraw/zinc/51/91/36/527519136.db2.gz AVHKWTIYLVCPAU-HNNXBMFYSA-N 1 0 278.396 2.275 10 0 CEAERO OCCC[C@H]1CCC[N@@H+]1C[C@@H]1COc2ccccc2O1 ZINC000052762958 527546314 /nfs/dbraw/zinc/54/63/14/527546314.db2.gz RQPSJRBLJIJTLV-ZIAGYGMSSA-N 1 0 277.364 2.063 10 0 CEAERO Nc1nc(SCC[NH+]2CCCC2)nc2sccc21 ZINC000054710927 527557796 /nfs/dbraw/zinc/55/77/96/527557796.db2.gz MCAAPNXCRSLJJE-UHFFFAOYSA-N 1 0 280.422 2.461 10 0 CEAERO Nc1[nH+]c2ccccc2n1Cc1ccc2c(c1)OCO2 ZINC000061675002 527563029 /nfs/dbraw/zinc/56/30/29/527563029.db2.gz OLBYGOOUYOPNHP-UHFFFAOYSA-N 1 0 267.288 2.396 10 0 CEAERO OCc1ccc(N2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000062981350 527635086 /nfs/dbraw/zinc/63/50/86/527635086.db2.gz GGTFMCUDKDROPG-INIZCTEOSA-N 1 0 260.381 2.244 10 0 CEAERO O[C@@H](C[NH2+]C1CC1)c1cc(Br)ccc1F ZINC000055029076 527651742 /nfs/dbraw/zinc/65/17/42/527651742.db2.gz VAYMYPBOSLXXRZ-NSHDSACASA-N 1 0 274.133 2.374 10 0 CEAERO O[C@@H](C[NH2+]CCc1ccsc1)COC1CCCC1 ZINC000049180647 527651847 /nfs/dbraw/zinc/65/18/47/527651847.db2.gz FVAIGYSHHSQVHW-ZDUSSCGKSA-N 1 0 269.410 2.200 10 0 CEAERO Cc1nn(C)c(N(C)C[C@@H]2CCCO2)c1C[NH2+]C(C)(C)C ZINC000062737034 527669878 /nfs/dbraw/zinc/66/98/78/527669878.db2.gz FKQPJULCBDSUNI-ZDUSSCGKSA-N 1 0 294.443 2.232 10 0 CEAERO Cc1nn(C)c(N2C[C@@H](C)O[C@H](C)C2)c1C[NH2+]C(C)(C)C ZINC000062734258 527676898 /nfs/dbraw/zinc/67/68/98/527676898.db2.gz NOCOEJBTQVLZNU-VXGBXAGGSA-N 1 0 294.443 2.230 10 0 CEAERO FC(F)(F)c1ccn(C[C@@H]2CC[C@@H](C[NH2+]C3CC3)O2)n1 ZINC000052592669 527687596 /nfs/dbraw/zinc/68/75/96/527687596.db2.gz TXFWVPOZGJHMSA-QWRGUYRKSA-N 1 0 289.301 2.202 10 0 CEAERO CCOc1cc(NCc2ccc3c(c2)C[NH2+]C3)ncn1 ZINC000097830095 528328797 /nfs/dbraw/zinc/32/87/97/528328797.db2.gz CYOHECJOXLYREJ-UHFFFAOYSA-N 1 0 270.336 2.091 10 0 CEAERO CC(C)[C@H](CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1ccccc1 ZINC000261888910 535011093 /nfs/dbraw/zinc/01/10/93/535011093.db2.gz VGYGZPYROHYYKH-PMPSAXMXSA-N 1 0 290.407 2.049 10 0 CEAERO CC(C)C[NH2+]Cc1cncc(N2C[C@H](C)OC(C)(C)C2)n1 ZINC000091420401 535170233 /nfs/dbraw/zinc/17/02/33/535170233.db2.gz WKWABTKQMZOJBB-ZDUSSCGKSA-N 1 0 292.427 2.226 10 0 CEAERO CC(C)C[NH2+]Cc1ccnc(N2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000090907698 535170468 /nfs/dbraw/zinc/17/04/68/535170468.db2.gz UHVPVDVDHMOONF-GASCZTMLSA-N 1 0 275.396 2.195 10 0 CEAERO CCC[NH2+][C@@H](C)c1c(F)cccc1N1CCN(C)C(=O)C1 ZINC000084204769 535185716 /nfs/dbraw/zinc/18/57/16/535185716.db2.gz KQTIKEFIJJDHFS-LBPRGKRZSA-N 1 0 293.386 2.165 10 0 CEAERO CC[C@@]1(C)CN(c2cc(OC)cc(OC)c2)CC[NH2+]1 ZINC000086122990 536060454 /nfs/dbraw/zinc/06/04/54/536060454.db2.gz DFARTDRYPWCBTB-HNNXBMFYSA-N 1 0 264.369 2.282 10 0 CEAERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2ccnn2C)C1 ZINC000130187943 536173228 /nfs/dbraw/zinc/17/32/28/536173228.db2.gz HQVZCFWJDYVXKX-CQSZACIVSA-N 1 0 273.384 2.016 10 0 CEAERO COC1CCN(c2ccc(C[C@H](C)[NH3+])cc2C)CC1 ZINC000111492478 536758375 /nfs/dbraw/zinc/75/83/75/536758375.db2.gz YXORBYRGAJQRTA-ZDUSSCGKSA-N 1 0 262.397 2.500 10 0 CEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1sccc1Cl ZINC000309781304 538741676 /nfs/dbraw/zinc/74/16/76/538741676.db2.gz MYVQPZZHMFEAJX-IONNQARKSA-N 1 0 258.774 2.158 10 0 CEAERO COc1ccccc1[C@H](C)NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079519955 538887201 /nfs/dbraw/zinc/88/72/01/538887201.db2.gz JMKYCBMFMBKGDQ-XHDPSFHLSA-N 1 0 262.353 2.015 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H]2C[C@@H](C)CC[C@H]2C)C1 ZINC000253150499 574508981 /nfs/dbraw/zinc/50/89/81/574508981.db2.gz FNWLBRZKMAOUOC-GBJTYRQASA-N 1 0 254.418 2.121 10 0 CEAERO C[N@@H+]1CCC[C@H]([C@H]2CC[C@H](C(F)(F)F)NC2)C1 ZINC000757570376 574514143 /nfs/dbraw/zinc/51/41/43/574514143.db2.gz DNCPDAGEBJAXJG-GARJFASQSA-N 1 0 250.308 2.259 10 0 CEAERO C[C@@H]1CN(C(=O)c2ccc(F)c(C(F)(F)F)c2)C[C@H]1[NH3+] ZINC000235348952 625332198 /nfs/dbraw/zinc/33/21/98/625332198.db2.gz NYCFLSSVTVIYBY-RDDDGLTNSA-N 1 0 290.260 2.264 10 0 CEAERO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)c(C)c1 ZINC000757182929 622956781 /nfs/dbraw/zinc/95/67/81/622956781.db2.gz CCICYYHLSPUGIQ-WDEREUQCSA-N 1 0 253.729 2.124 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cn1nccc1-c1cccnc1 ZINC000177160673 625620122 /nfs/dbraw/zinc/62/01/22/625620122.db2.gz MVYJPEDBLYRVEG-INIZCTEOSA-N 1 0 299.422 2.319 10 0 CEAERO CCC[C@H]1CC(=O)N(CN(C)C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000177158074 625621430 /nfs/dbraw/zinc/62/14/30/625621430.db2.gz YNVABNCVSQWJDC-GJZGRUSLSA-N 1 0 281.444 2.009 10 0 CEAERO c1ccc2c(c1)CC[C@H]2c1noc([C@@H]2CC[NH2+]C2)n1 ZINC000087997587 623409274 /nfs/dbraw/zinc/40/92/74/623409274.db2.gz OWHYUGGPHCBQKY-DGCLKSJQSA-N 1 0 255.321 2.225 10 0 CEAERO Oc1ccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1F ZINC000891415870 623613092 /nfs/dbraw/zinc/61/30/92/623613092.db2.gz TYVMQAJZCCZRRN-CYBMUJFWSA-N 1 0 290.342 2.035 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000246194564 624970560 /nfs/dbraw/zinc/97/05/60/624970560.db2.gz DMTGPFDCTHZMNK-WTKQLKIWSA-N 1 0 294.345 2.312 10 0 CEAERO COC[C@H]([NH3+])C(=O)Nc1ccc(SC(C)(C)C)cc1 ZINC000262399464 625121749 /nfs/dbraw/zinc/12/17/49/625121749.db2.gz ZNDZXSIKRMIBPP-LBPRGKRZSA-N 1 0 282.409 2.489 10 0 CEAERO Cc1nccn1-c1ncccc1NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000262577797 625180341 /nfs/dbraw/zinc/18/03/41/625180341.db2.gz YMTOMSYFLOIHEX-CYBMUJFWSA-N 1 0 299.378 2.046 10 0 CEAERO Cc1ccnc(N2CCCC[C@@H]2C[NH3+])c1Br ZINC000235920895 625793899 /nfs/dbraw/zinc/79/38/99/625793899.db2.gz XXQIIPGGJPBFDX-SNVBAGLBSA-N 1 0 284.201 2.470 10 0 CEAERO CCc1ccc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)s1 ZINC000392992448 625950562 /nfs/dbraw/zinc/95/05/62/625950562.db2.gz DSBVMYGTEMEMQP-CABZTGNLSA-N 1 0 252.383 2.067 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)N1CCC2(CCCC2)C1 ZINC000310888006 627316398 /nfs/dbraw/zinc/31/63/98/627316398.db2.gz XDGMXMHDKFIFKY-OLZOCXBDSA-N 1 0 250.386 2.154 10 0 CEAERO C[NH+]1CCN(c2cc(N)ccc2C(F)(F)F)CC1 ZINC000167188124 627656680 /nfs/dbraw/zinc/65/66/80/627656680.db2.gz VFMPTWXGIZOFBK-UHFFFAOYSA-N 1 0 259.275 2.039 10 0 CEAERO C[NH+](C)[C@H]1CCN(Cc2cccc3c2NCCC3)C1 ZINC000311839982 627703656 /nfs/dbraw/zinc/70/36/56/627703656.db2.gz QNKXGYPZRDIRSS-HNNXBMFYSA-N 1 0 259.397 2.181 10 0 CEAERO CC[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCCN(CCO)C2)C1 ZINC000394587173 627809677 /nfs/dbraw/zinc/80/96/77/627809677.db2.gz YDHDUCPTCADRQQ-BZUAXINKSA-N 1 0 268.445 2.249 10 0 CEAERO CC(=O)[C@H]1CCCN([C@@H](C)C(=O)NC2CCCCC2)C1 ZINC000111712965 627831560 /nfs/dbraw/zinc/83/15/60/627831560.db2.gz YQFWHBGWGVKQLO-JSGCOSHPSA-N 1 0 280.412 2.125 10 0 CEAERO COC(=O)[C@@H]1CCC[N@H+](CCc2cccs2)C1 ZINC000066832263 628216621 /nfs/dbraw/zinc/21/66/21/628216621.db2.gz MUBRDVOEHOCQRW-LLVKDONJSA-N 1 0 253.367 2.176 10 0 CEAERO CC(C)CN1CCC[C@@H]1C[NH2+]C[C@@H]1CCC=CO1 ZINC000194522383 628509273 /nfs/dbraw/zinc/50/92/73/628509273.db2.gz OMJZKJUWQBVLKX-CABCVRRESA-N 1 0 252.402 2.389 10 0 CEAERO Fc1ccccc1Cc1noc(CC[C@H]2CCC[NH2+]2)n1 ZINC000312902436 628556990 /nfs/dbraw/zinc/55/69/90/628556990.db2.gz YTWPETVGYRKZFD-GFCCVEGCSA-N 1 0 275.327 2.484 10 0 CEAERO FC(F)(F)SCCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000226909153 628914493 /nfs/dbraw/zinc/91/44/93/628914493.db2.gz YMKACVYZFLFIJW-SNVBAGLBSA-N 1 0 268.348 2.410 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1sccc1Br ZINC000261529394 628934807 /nfs/dbraw/zinc/93/48/07/628934807.db2.gz AQZHJHJDOWQEAC-SVRRBLITSA-N 1 0 289.198 2.072 10 0 CEAERO COc1ccc(Br)c(CN2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000261542587 628936244 /nfs/dbraw/zinc/93/62/44/628936244.db2.gz PSTMAYYLRQIJOW-TVQRCGJNSA-N 1 0 299.212 2.237 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1cc(Cl)ccc1F ZINC000261541478 628936739 /nfs/dbraw/zinc/93/67/39/628936739.db2.gz BBQFNIFPWLXUGF-WRWORJQWSA-N 1 0 256.708 2.041 10 0 CEAERO CC(C)C1CCN(C(=O)CC[C@H]2CCC[NH2+]2)CC1 ZINC000261570274 628939095 /nfs/dbraw/zinc/93/90/95/628939095.db2.gz KGPSXCIEESKUKL-CQSZACIVSA-N 1 0 252.402 2.413 10 0 CEAERO C[C@@H]1C[C@@H](C[NH3+])CN1c1ccnc(C(F)(F)F)c1 ZINC000261566912 628940317 /nfs/dbraw/zinc/94/03/17/628940317.db2.gz IIFGOPJEHAKPGX-BDAKNGLRSA-N 1 0 259.275 2.274 10 0 CEAERO C[C@H]([NH3+])[C@@H]1CCN(c2ccnc(C(F)(F)F)c2)C1 ZINC000261581594 628941807 /nfs/dbraw/zinc/94/18/07/628941807.db2.gz QTRVUTKMVPNWEY-DTWKUNHWSA-N 1 0 259.275 2.274 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1cccc(C(F)(F)F)c1 ZINC000261592353 628942964 /nfs/dbraw/zinc/94/29/64/628942964.db2.gz MJVUDDICQVAFGO-LDYMZIIASA-N 1 0 272.270 2.267 10 0 CEAERO CC(C)CCCCCCNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261606440 628946057 /nfs/dbraw/zinc/94/60/57/628946057.db2.gz AQBPZPBEZNRKME-HNNXBMFYSA-N 1 0 284.444 2.463 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(OC(F)(F)F)cc1 ZINC000261628929 628952368 /nfs/dbraw/zinc/95/23/68/628952368.db2.gz BALUWOJRWGHOOJ-KCJUWKMLSA-N 1 0 288.269 2.147 10 0 CEAERO Cc1sc2ncnc(N3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)c2c1C ZINC000261758748 629184482 /nfs/dbraw/zinc/18/44/82/629184482.db2.gz NNDDTPKIILQTHV-TUAOUCFPSA-N 1 0 288.420 2.482 10 0 CEAERO CCc1cc2c(ncnc2N2CC[C@@H]3[NH2+]CC[C@@H]3C2)s1 ZINC000261811783 629252823 /nfs/dbraw/zinc/25/28/23/629252823.db2.gz SMDLINNGISGQMM-MFKMUULPSA-N 1 0 288.420 2.442 10 0 CEAERO C[C@H](C[NH3+])c1noc(CCCc2cccs2)n1 ZINC000054158594 629262023 /nfs/dbraw/zinc/26/20/23/629262023.db2.gz ZMMYVFUUONVQDI-SECBINFHSA-N 1 0 251.355 2.369 10 0 CEAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1cnc(N)s1 ZINC000262095523 629834214 /nfs/dbraw/zinc/83/42/14/629834214.db2.gz VDTJIGUZUYCZPJ-GFCCVEGCSA-N 1 0 291.424 2.413 10 0 CEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)s1 ZINC000757185965 631830017 /nfs/dbraw/zinc/83/00/17/631830017.db2.gz CKZHDQSKPLASLE-HTQZYQBOSA-N 1 0 259.758 2.268 10 0 CEAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccccc1F ZINC000757185655 631830111 /nfs/dbraw/zinc/83/01/11/631830111.db2.gz XQYPBYADXIDMHB-NEPJUHHUSA-N 1 0 265.328 2.470 10 0 CEAERO COc1ccc([C@H]2C[NH2+]C[C@@H]2C(=O)OC(C)(C)C)cc1F ZINC000757183031 631830259 /nfs/dbraw/zinc/83/02/59/631830259.db2.gz DEMGWNCMSFILOM-NEPJUHHUSA-N 1 0 295.354 2.479 10 0 CEAERO CCCc1cncc(SC[C@@H]2C[NH2+]CCO2)c1 ZINC000757208457 631836524 /nfs/dbraw/zinc/83/65/24/631836524.db2.gz GPDHYVRBCASBGF-LBPRGKRZSA-N 1 0 252.383 2.115 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]2CN(c3nccc(C(F)(F)F)n3)C[C@H]21 ZINC000228550308 633590229 /nfs/dbraw/zinc/59/02/29/633590229.db2.gz RJDYTSOYSVLJPX-IVZWLZJFSA-N 1 0 286.301 2.059 10 0 CEAERO CC1(C)C(=O)N(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)C1(C)C ZINC000164983885 639410877 /nfs/dbraw/zinc/41/08/77/639410877.db2.gz KQPULLNHCKWJAF-CXAGYDPISA-N 1 0 294.439 2.218 10 0 CEAERO Cc1ccsc1C(=O)N(C(=O)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000223181285 639415241 /nfs/dbraw/zinc/41/52/41/639415241.db2.gz WZOQZPUENUGHSR-LLVKDONJSA-N 1 0 292.404 2.187 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCSC(F)(F)F)C1 ZINC000057830363 639464562 /nfs/dbraw/zinc/46/45/62/639464562.db2.gz FUYZNUPEQZSVNN-SECBINFHSA-N 1 0 299.362 2.023 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)/C=C/c1ccccc1F ZINC000157555935 639500043 /nfs/dbraw/zinc/50/00/43/639500043.db2.gz CCRKKHURKVBREB-BZEACYEMSA-N 1 0 262.328 2.083 10 0 CEAERO Cc1cc(NC(=O)C[C@H]([NH3+])C(C)C)cnc1Cl ZINC000225811452 639513069 /nfs/dbraw/zinc/51/30/69/639513069.db2.gz HMCIRLSXFQRWCI-JTQLQIEISA-N 1 0 255.749 2.355 10 0 CEAERO CCCCCC[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000157984239 639557168 /nfs/dbraw/zinc/55/71/68/639557168.db2.gz XTGPGOAVTIRWDR-AWEZNQCLSA-N 1 0 251.374 2.164 10 0 CEAERO CO[C@@H](c1noc(CC[C@H]2CCC[NH2+]C2)n1)C1CC1 ZINC000227329422 639584021 /nfs/dbraw/zinc/58/40/21/639584021.db2.gz ICBLEAWWPZGLMB-ZWNOBZJWSA-N 1 0 265.357 2.099 10 0 CEAERO CO[C@H](c1noc(C[C@@H](C)[C@@H]2CCC[NH2+]C2)n1)C1CC1 ZINC000227330831 639584946 /nfs/dbraw/zinc/58/49/46/639584946.db2.gz KLCNKGUSFFHOJJ-QKCSRTOESA-N 1 0 279.384 2.345 10 0 CEAERO CO[C@H](c1noc([C@H]2C[NH2+]Cc3ccccc32)n1)C1CC1 ZINC000227332185 639585007 /nfs/dbraw/zinc/58/50/07/639585007.db2.gz XCEBFTHWOFVYSN-KBPBESRZSA-N 1 0 285.347 2.402 10 0 CEAERO CC(C)c1ccc(NC(=O)C[N@@H+]2CC[C@@H](CCO)C2)cc1 ZINC000227569485 639595711 /nfs/dbraw/zinc/59/57/11/639595711.db2.gz GWENTRAJJLVFEN-AWEZNQCLSA-N 1 0 290.407 2.453 10 0 CEAERO Cc1nc2ccccc2nc1NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000227650678 639599850 /nfs/dbraw/zinc/59/98/50/639599850.db2.gz XEIPMNKHABBNRW-NEPJUHHUSA-N 1 0 256.353 2.478 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1Nc1nc(C(F)(F)F)ns1 ZINC000228790808 639658815 /nfs/dbraw/zinc/65/88/15/639658815.db2.gz ZQQOMCWWGFFZOM-WDSKDSINSA-N 1 0 266.292 2.096 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1Nc1nc(C(F)(F)F)ns1 ZINC000228793730 639659399 /nfs/dbraw/zinc/65/93/99/639659399.db2.gz UPCZTGGTLYSIEW-PHDIDXHHSA-N 1 0 266.292 2.109 10 0 CEAERO CCCCCCOCC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000170965441 639690382 /nfs/dbraw/zinc/69/03/82/639690382.db2.gz WQPGNIXTFNTQKB-OAHLLOKOSA-N 1 0 282.428 2.280 10 0 CEAERO Cc1cc(Br)cnc1NC[C@H]1CC[NH2+]C1 ZINC000087655222 639700512 /nfs/dbraw/zinc/70/05/12/639700512.db2.gz ZJMDLQUAPLFOMG-VIFPVBQESA-N 1 0 270.174 2.174 10 0 CEAERO CCS(=O)(=O)c1ccccc1N[C@H]1CCC[NH2+][C@@H]1C ZINC000229611889 639710657 /nfs/dbraw/zinc/71/06/57/639710657.db2.gz MYVCZNUQTLUZOH-NEPJUHHUSA-N 1 0 282.409 2.033 10 0 CEAERO COCC[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000230061916 639729417 /nfs/dbraw/zinc/72/94/17/639729417.db2.gz OIAPZEHJRYIILI-OLZOCXBDSA-N 1 0 286.416 2.258 10 0 CEAERO Cc1cc(C)cc(Cc2noc([C@H]3CC[NH2+]C3)n2)c1 ZINC000062119837 639736907 /nfs/dbraw/zinc/73/69/07/639736907.db2.gz JRYXVSAOEUSLGD-ZDUSSCGKSA-N 1 0 257.337 2.354 10 0 CEAERO CCOC[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000230393707 639756798 /nfs/dbraw/zinc/75/67/98/639756798.db2.gz PZGAXKUDFRZKEG-OLZOCXBDSA-N 1 0 286.416 2.258 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C[C@H](O)c2cc3ccccc3o2)C1 ZINC000062968073 639801656 /nfs/dbraw/zinc/80/16/56/639801656.db2.gz BFRUSPHVISUQKC-KGLIPLIRSA-N 1 0 274.364 2.102 10 0 CEAERO C[C@H]1[C@@H]([NH2+]Cc2cnc[nH]2)CCCN1C(=O)OC(C)(C)C ZINC000230943668 639807335 /nfs/dbraw/zinc/80/73/35/639807335.db2.gz SKJJRYQRXJSVTF-AAEUAGOBSA-N 1 0 294.399 2.287 10 0 CEAERO Fc1cccc(-c2nc(C[C@H]3CCC[NH2+]C3)no2)c1 ZINC000063084727 639824108 /nfs/dbraw/zinc/82/41/08/639824108.db2.gz MROBTWYSHITCEK-SNVBAGLBSA-N 1 0 261.300 2.418 10 0 CEAERO C[C@H](NC(=O)C1([NH3+])CC1)c1ccc2c(c1)CCCC2 ZINC000088130064 639942893 /nfs/dbraw/zinc/94/28/93/639942893.db2.gz DWSCWASRWGPYQB-NSHDSACASA-N 1 0 258.365 2.234 10 0 CEAERO C[C@H]1CN(Cc2cccc3c2NCCC3)C[C@@H]1[NH+](C)C ZINC000312461434 640028533 /nfs/dbraw/zinc/02/85/33/640028533.db2.gz FGPQHZISHUHEDF-BBRMVZONSA-N 1 0 273.424 2.427 10 0 CEAERO COC[C@H](C)C(=O)O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183190128 641718056 /nfs/dbraw/zinc/71/80/56/641718056.db2.gz JYVRPFZBCKLWEG-GOEBONIOSA-N 1 0 291.391 2.477 10 0 CEAERO C[NH+](C)C[C@@H](NC(=O)OCC1CC1)c1ccccc1 ZINC000184320206 641853245 /nfs/dbraw/zinc/85/32/45/641853245.db2.gz CBWHVYOBNVXLGZ-CQSZACIVSA-N 1 0 262.353 2.426 10 0 CEAERO Cn1ncc2cc(C[C@@H]3CC[C@H](C[NH+](C)C)O3)ccc21 ZINC000072423423 641921771 /nfs/dbraw/zinc/92/17/71/641921771.db2.gz TVJXKWNAZKWBGC-LSDHHAIUSA-N 1 0 273.380 2.225 10 0 CEAERO CCCCCCOCC(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000107595893 641992873 /nfs/dbraw/zinc/99/28/73/641992873.db2.gz AQOKGLZSOZTFNH-CQSZACIVSA-N 1 0 270.417 2.184 10 0 CEAERO C[NH2+]CC1CCN(c2ncnc3sc(C)cc32)CC1 ZINC000110779358 643511730 /nfs/dbraw/zinc/51/17/30/643511730.db2.gz HZMZEMHFFLDSLH-UHFFFAOYSA-N 1 0 276.409 2.436 10 0 CEAERO Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCS2(=O)=O)c1 ZINC000126982998 651041405 /nfs/dbraw/zinc/04/14/05/651041405.db2.gz HDQPIEPIRRDDQH-OCCSQVGLSA-N 1 0 267.394 2.223 10 0 CEAERO C[C@H](NC(=O)C[C@H]([NH3+])C1CC1)c1ccc(F)cc1F ZINC000123660285 649094669 /nfs/dbraw/zinc/09/46/69/649094669.db2.gz WHWFZQHJEOUGEV-SDBXPKJASA-N 1 0 268.307 2.269 10 0 CEAERO Cc1nc(C[NH2+][C@@H]2CCCC[C@@H]2CO)sc1C ZINC000125016345 649777901 /nfs/dbraw/zinc/77/79/01/649777901.db2.gz FBPPLSRFGAXFRN-VXGBXAGGSA-N 1 0 254.399 2.401 10 0 CEAERO CCC1CCC(NC(=O)c2ccnc(C[NH3+])c2)CC1 ZINC000130207431 652230052 /nfs/dbraw/zinc/23/00/52/652230052.db2.gz LGNWZKBJAYVXOP-UHFFFAOYSA-N 1 0 261.369 2.239 10 0 CEAERO Clc1cnc(N2CCC([NH2+]CC3CC3)CC2)nc1 ZINC000130248876 652233305 /nfs/dbraw/zinc/23/33/05/652233305.db2.gz VGMSKXCZWLSAJC-UHFFFAOYSA-N 1 0 266.776 2.098 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)c2ccnc(C[NH3+])c2)cc1F ZINC000130415129 652253117 /nfs/dbraw/zinc/25/31/17/652253117.db2.gz FEVALJDXPPZYPL-NSHDSACASA-N 1 0 287.338 2.479 10 0 CEAERO Cc1cnc(=S)n(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000133086810 652598014 /nfs/dbraw/zinc/59/80/14/652598014.db2.gz JVVWLYZBQRCHFR-STQMWFEESA-N 1 0 278.425 2.047 10 0 CEAERO OCc1ccc(C[NH2+][C@@H]2COc3ccccc32)cc1 ZINC000133086562 652598195 /nfs/dbraw/zinc/59/81/95/652598195.db2.gz QPOFOSLMASYRCK-OAHLLOKOSA-N 1 0 255.317 2.402 10 0 CEAERO C[C@@H]([NH2+]CC[S@](C)=O)c1ccccc1Br ZINC000133795224 652721027 /nfs/dbraw/zinc/72/10/27/652721027.db2.gz CALQJZZBQIIBOM-RFAUZJTJSA-N 1 0 290.226 2.478 10 0 CEAERO C[C@H](CC[NH3+])Nc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000134272977 652802961 /nfs/dbraw/zinc/80/29/61/652802961.db2.gz SETWAGLNDWLOCX-MRVPVSSYSA-N 1 0 296.314 2.129 10 0 CEAERO COC(=O)Cc1ccccc1C[N@@H+]1CCC[C@@H]1CCCO ZINC000135350621 652966447 /nfs/dbraw/zinc/96/64/47/652966447.db2.gz ARFPYIBYNRAVLU-MRXNPFEDSA-N 1 0 291.391 2.139 10 0 CEAERO C[C@H](CNC(=O)[C@@]1(C)CCCC[NH2+]1)c1ccccc1 ZINC000136143517 653046166 /nfs/dbraw/zinc/04/61/66/653046166.db2.gz WDYKCEBSDSPTLJ-CZUORRHYSA-N 1 0 260.381 2.439 10 0 CEAERO C[C@H](CNC(=O)[C@]1(C)CCCC[NH2+]1)c1ccccc1 ZINC000136143442 653046196 /nfs/dbraw/zinc/04/61/96/653046196.db2.gz WDYKCEBSDSPTLJ-CJNGLKHVSA-N 1 0 260.381 2.439 10 0 CEAERO Cc1ccc(OC[C@H](C)NC(=O)[C@]2(C)CCCC[NH2+]2)cc1 ZINC000136178826 653049057 /nfs/dbraw/zinc/04/90/57/653049057.db2.gz AVXZNDJTHMQHRF-YOEHRIQHSA-N 1 0 290.407 2.411 10 0 CEAERO Cc1ccc(OC[C@H](C)NC(=O)[C@@]2(C)CCCC[NH2+]2)cc1 ZINC000136178899 653049103 /nfs/dbraw/zinc/04/91/03/653049103.db2.gz AVXZNDJTHMQHRF-WMLDXEAASA-N 1 0 290.407 2.411 10 0 CEAERO COc1ccc(Cl)cc1C[C@H](O)C[NH2+]C(C)C ZINC000082296089 177950527 /nfs/dbraw/zinc/95/05/27/177950527.db2.gz CUYUHPDZVCCIMA-LBPRGKRZSA-N 1 0 257.761 2.250 10 0 CEAERO Cc1nc2ccccc2nc1N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000156386398 282088736 /nfs/dbraw/zinc/08/87/36/282088736.db2.gz CKWWCMOCUDWQDY-OLZOCXBDSA-N 1 0 268.364 2.269 10 0 CEAERO CC(C)[NH2+]Cc1sc(CS(C)(=O)=O)nc1C1CC1 ZINC000082436192 178013903 /nfs/dbraw/zinc/01/39/03/178013903.db2.gz SMCHTOQVRGBMQF-UHFFFAOYSA-N 1 0 288.438 2.063 10 0 CEAERO [NH3+][C@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000082456781 178034147 /nfs/dbraw/zinc/03/41/47/178034147.db2.gz QRCKZRWIRPIZFS-MWLCHTKSSA-N 1 0 256.143 2.485 10 0 CEAERO [NH3+]Cc1ccc(I)c(OC2CC2)c1 ZINC000095737748 185024095 /nfs/dbraw/zinc/02/40/95/185024095.db2.gz RYSJXEVYXKRNPN-UHFFFAOYSA-N 1 0 289.116 2.291 10 0 CEAERO CC1(C)C[C@@H]([NH2+]CCN2CCOCC2)c2ccccc2O1 ZINC000082504895 178069501 /nfs/dbraw/zinc/06/95/01/178069501.db2.gz RLBGYANNSCFXIK-OAHLLOKOSA-N 1 0 290.407 2.211 10 0 CEAERO CN(CC[NH+](C)C)c1ccc(Br)cc1N ZINC000082539780 178089069 /nfs/dbraw/zinc/08/90/69/178089069.db2.gz PRKYYUGBKHGOCJ-UHFFFAOYSA-N 1 0 272.190 2.029 10 0 CEAERO COCCC[N@@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121173266 365530613 /nfs/dbraw/zinc/53/06/13/365530613.db2.gz CTZZRTCLARQEKR-SMDDNHRTSA-N 1 0 271.307 2.109 10 0 CEAERO COc1ccc([C@@H]2C[NH2+]CO2)cc1Br ZINC000082567751 178098912 /nfs/dbraw/zinc/09/89/12/178098912.db2.gz FWHQPJDMILZENZ-JTQLQIEISA-N 1 0 258.115 2.076 10 0 CEAERO COc1cccc([C@@H]([NH3+])C2CCOCC2)c1OC ZINC000095825102 185028628 /nfs/dbraw/zinc/02/86/28/185028628.db2.gz AVIKIRVILLMLKQ-ZDUSSCGKSA-N 1 0 251.326 2.130 10 0 CEAERO [NH3+][C@H](Cn1cc(Br)cn1)c1ccccc1 ZINC000082582956 178120011 /nfs/dbraw/zinc/12/00/11/178120011.db2.gz FKTSWKZDDXZOAX-LLVKDONJSA-N 1 0 266.142 2.346 10 0 CEAERO CC(C)N(CCC[NH3+])C(=O)c1ccc(F)c(F)c1F ZINC000082585461 178120722 /nfs/dbraw/zinc/12/07/22/178120722.db2.gz NJWHJXPXEVWGOP-UHFFFAOYSA-N 1 0 274.286 2.303 10 0 CEAERO CC(C)(C)OC(=O)N1c2ccccc2[C@]2(CC[NH2+]C2)C1=O ZINC000095932956 185032923 /nfs/dbraw/zinc/03/29/23/185032923.db2.gz SHSHYAWQGZALAK-MRXNPFEDSA-N 1 0 288.347 2.199 10 0 CEAERO Cc1nnc(Sc2ccc(CC[NH3+])cc2)s1 ZINC000082617488 178127314 /nfs/dbraw/zinc/12/73/14/178127314.db2.gz WFKQMVSTHOSKBY-UHFFFAOYSA-N 1 0 251.380 2.499 10 0 CEAERO C[C@H]([NH3+])CC[S@@](=O)c1ccc(Br)cc1 ZINC000082746998 178269415 /nfs/dbraw/zinc/26/94/15/178269415.db2.gz LMJDEPVCMFBNCX-RTHLEPHNSA-N 1 0 276.199 2.294 10 0 CEAERO [NH3+][C@H](C[S@@](=O)c1ccccc1Br)C1CC1 ZINC000082747357 178269793 /nfs/dbraw/zinc/26/97/93/178269793.db2.gz SPRCQAZSEACFSL-BMIGLBTASA-N 1 0 288.210 2.294 10 0 CEAERO CC(C)c1csc(CNC(=O)N2CC[C@H]([NH+](C)C)C2)n1 ZINC000121789986 365615194 /nfs/dbraw/zinc/61/51/94/365615194.db2.gz AJBLAJCDNUEWTG-NSHDSACASA-N 1 0 296.440 2.112 10 0 CEAERO C[NH2+][C@@](C)(C[C@@H](C)Sc1cccs1)C(N)=O ZINC000082797655 178301170 /nfs/dbraw/zinc/30/11/70/178301170.db2.gz MCYJHPBGMLKWIS-KCJUWKMLSA-N 1 0 258.412 2.082 10 0 CEAERO C[C@H](C[C@H](C)[NH3+])S(=O)(=O)c1ccc(Cl)cc1 ZINC000082798370 178301765 /nfs/dbraw/zinc/30/17/65/178301765.db2.gz VNQRTRGABAUACH-DTWKUNHWSA-N 1 0 261.774 2.240 10 0 CEAERO CSCc1ccc(C(=O)N2CC[C@H]([NH3+])[C@H]2C)cc1 ZINC000335500174 212179828 /nfs/dbraw/zinc/17/98/28/212179828.db2.gz NOKJALFKOQNHRS-MFKMUULPSA-N 1 0 264.394 2.111 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cncc(Cl)c1 ZINC000621258080 349540483 /nfs/dbraw/zinc/54/04/83/349540483.db2.gz WXPOJTWAHYMCGS-FZMZJTMJSA-N 1 0 265.788 2.404 10 0 CEAERO COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)C1CCCC1 ZINC000125368242 365673639 /nfs/dbraw/zinc/67/36/39/365673639.db2.gz FFKIEHDDKCLMLO-YPMHNXCESA-N 1 0 278.400 2.428 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cncc(Cl)c1 ZINC000621258079 349540591 /nfs/dbraw/zinc/54/05/91/349540591.db2.gz WXPOJTWAHYMCGS-BXUZGUMPSA-N 1 0 265.788 2.404 10 0 CEAERO C[C@]([NH3+])(CO)CSc1ccc(Br)cc1 ZINC000082904593 178329684 /nfs/dbraw/zinc/32/96/84/178329684.db2.gz NOKMHHWSFWBPEH-JTQLQIEISA-N 1 0 276.199 2.251 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1c1nc2cc(Br)cnc2[nH]1 ZINC000082918572 178330305 /nfs/dbraw/zinc/33/03/05/178330305.db2.gz MXFIPQFBJBBAGW-HTQZYQBOSA-N 1 0 281.157 2.315 10 0 CEAERO C[NH+](C)C[C@H](NC(=O)[C@H]1CC1(C)C)c1ccccc1 ZINC000152483429 282132070 /nfs/dbraw/zinc/13/20/70/282132070.db2.gz SSOLEYWXYKQLHG-KGLIPLIRSA-N 1 0 260.381 2.452 10 0 CEAERO CC(C)n1nnnc1C[N@@H+]1C[C@@H](C)CCC[C@H]1C ZINC000125204094 187174814 /nfs/dbraw/zinc/17/48/14/187174814.db2.gz XQECXYFLAPJYED-NWDGAFQWSA-N 1 0 251.378 2.265 10 0 CEAERO CC(C)Oc1ccccc1NC(=O)CSCC[NH3+] ZINC000096751695 185111855 /nfs/dbraw/zinc/11/18/55/185111855.db2.gz RJLZAOYXEOICNP-UHFFFAOYSA-N 1 0 268.382 2.104 10 0 CEAERO C[NH+](C)C1(CNCc2nccn2C(F)F)CCCC1 ZINC000096811257 185116147 /nfs/dbraw/zinc/11/61/47/185116147.db2.gz RERKHOKCISXTOF-UHFFFAOYSA-N 1 0 272.343 2.242 10 0 CEAERO [NH3+]Cc1ccc2nc(-c3cccc4c3OCCO4)[nH]c2c1 ZINC000096874592 185119000 /nfs/dbraw/zinc/11/90/00/185119000.db2.gz MYVIZOMRQKZXCY-UHFFFAOYSA-N 1 0 281.315 2.460 10 0 CEAERO CC[C@H]([NH3+])[C@H](O)c1ccc(F)c(Br)c1 ZINC000036779110 361857208 /nfs/dbraw/zinc/85/72/08/361857208.db2.gz VZSDSJIZCRMLRL-VHSXEESVSA-N 1 0 262.122 2.359 10 0 CEAERO CC(C)(C)OC(=O)NC[C@H]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000096897237 185125107 /nfs/dbraw/zinc/12/51/07/185125107.db2.gz YOQRXBODLBGDLM-SMDDNHRTSA-N 1 0 254.374 2.291 10 0 CEAERO CSc1ccccc1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000037016089 361882696 /nfs/dbraw/zinc/88/26/96/361882696.db2.gz SFVRIPMOQDAZTE-JTQLQIEISA-N 1 0 250.367 2.347 10 0 CEAERO [NH3+][C@H](C(=O)N[C@H]1CCOc2ccccc21)c1ccccc1 ZINC000037032448 361888672 /nfs/dbraw/zinc/88/86/72/361888672.db2.gz RBNXZHCPVQTJRL-HOCLYGCPSA-N 1 0 282.343 2.326 10 0 CEAERO c1ccc(CN2CCOC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000096949590 185138922 /nfs/dbraw/zinc/13/89/22/185138922.db2.gz PHLSMJDCPJXLCL-JKSUJKDBSA-N 1 0 260.381 2.030 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[NH2+]C[C@@H]2CCC[C@H]21 ZINC000096958495 185142062 /nfs/dbraw/zinc/14/20/62/185142062.db2.gz BTGWYEQPIUAJIR-NWDGAFQWSA-N 1 0 254.374 2.386 10 0 CEAERO CC[C@@H]1C[NH2+]C[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC000096958514 185141924 /nfs/dbraw/zinc/14/19/24/185141924.db2.gz BFJIDBFBHCQIRQ-BXUZGUMPSA-N 1 0 254.374 2.243 10 0 CEAERO CCOc1ccc(CN(C)C(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000037798001 361941131 /nfs/dbraw/zinc/94/11/31/361941131.db2.gz KPESTAWDCQLLGA-AWEZNQCLSA-N 1 0 276.380 2.043 10 0 CEAERO Cn1c(CNc2ccccc2)nnc1SCC[NH+](C)C ZINC000040177418 361992015 /nfs/dbraw/zinc/99/20/15/361992015.db2.gz OIXCICZWRJKDTD-UHFFFAOYSA-N 1 0 291.424 2.081 10 0 CEAERO Cc1ccc(CSc2nnc(CC[NH3+])o2)cc1C ZINC000040173893 361992113 /nfs/dbraw/zinc/99/21/13/361992113.db2.gz MVBNCQVBGWWWQE-UHFFFAOYSA-N 1 0 263.366 2.480 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]CC(C)(C)CO)c1C ZINC000122056906 539032865 /nfs/dbraw/zinc/03/28/65/539032865.db2.gz YPGSLOUJLPRGCD-SNVBAGLBSA-N 1 0 253.390 2.189 10 0 CEAERO Cc1c(C[NH2+]C[C@H]2CCC3(CCCC3)O2)cnn1C ZINC000226384084 539167534 /nfs/dbraw/zinc/16/75/34/539167534.db2.gz RQWVYKDQAACXMN-CQSZACIVSA-N 1 0 263.385 2.310 10 0 CEAERO CCC(CC)N(CCOC)C(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000094647798 282183328 /nfs/dbraw/zinc/18/33/28/282183328.db2.gz HALRJZVDGJOGEK-GXTWGEPZSA-N 1 0 270.417 2.038 10 0 CEAERO CCN1C[C@@]2(C[C@@H]2[NH3+])c2cc(Br)ccc21 ZINC000725247753 539192548 /nfs/dbraw/zinc/19/25/48/539192548.db2.gz XATMWTQASIIMGN-RYUDHWBXSA-N 1 0 267.170 2.258 10 0 CEAERO [NH3+]C1CCN(c2nc3cc(Br)ccc3[nH]2)CC1 ZINC000725262419 539210458 /nfs/dbraw/zinc/21/04/58/539210458.db2.gz UZKUALZMVVYVGR-UHFFFAOYSA-N 1 0 295.184 2.253 10 0 CEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H]1CC=CCC1 ZINC000338284478 214494633 /nfs/dbraw/zinc/49/46/33/214494633.db2.gz BEPORHGSWVLMME-KBPBESRZSA-N 1 0 267.417 2.372 10 0 CEAERO CC(C)(C)NC(=O)N1CC[C@@H]2CC[C@]21[C@H]1CCC[NH2+]C1 ZINC000725263683 539212356 /nfs/dbraw/zinc/21/23/56/539212356.db2.gz ZNAPZNGYOWAWEM-HEHGZKQESA-N 1 0 279.428 2.349 10 0 CEAERO CCC(C)(C)NC(=O)N1CC[C@@]2([NH3+])CCCC[C@@H]12 ZINC000725264593 539212923 /nfs/dbraw/zinc/21/29/23/539212923.db2.gz XPWIOAPIJUVSGU-RISCZKNCSA-N 1 0 253.390 2.230 10 0 CEAERO CCCS(=O)(=O)[C@@H]1CC[C@@H](C(C)C)C[C@H]1C[NH3+] ZINC000725266013 539213364 /nfs/dbraw/zinc/21/33/64/539213364.db2.gz MMOSFESMRCRFHJ-FRRDWIJNSA-N 1 0 261.431 2.211 10 0 CEAERO CCCS(=O)(=O)[C@@H]1CC[C@H](C(C)C)C[C@@H]1C[NH3+] ZINC000725266021 539213404 /nfs/dbraw/zinc/21/34/04/539213404.db2.gz MMOSFESMRCRFHJ-YNEHKIRRSA-N 1 0 261.431 2.211 10 0 CEAERO [NH3+]CC[C@@H](O)c1ccc(Cl)c(Br)c1 ZINC000137289007 539253067 /nfs/dbraw/zinc/25/30/67/539253067.db2.gz SVEVHNKTNKEGRW-SECBINFHSA-N 1 0 264.550 2.485 10 0 CEAERO Cc1nccn1CC[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253092304 282206773 /nfs/dbraw/zinc/20/67/73/282206773.db2.gz KRARFGZRMYXSKH-BZUAXINKSA-N 1 0 277.412 2.207 10 0 CEAERO CS[C@@H](C)C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000042853428 362124779 /nfs/dbraw/zinc/12/47/79/362124779.db2.gz BRKTYVYGLWAQDX-WCQYABFASA-N 1 0 266.410 2.157 10 0 CEAERO Cc1cccc(OCCNC(=O)C2CCC([NH3+])CC2)c1 ZINC000042897708 362128183 /nfs/dbraw/zinc/12/81/83/362128183.db2.gz AABDFECCQUJQNC-UHFFFAOYSA-N 1 0 276.380 2.008 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](O)c1ccc(Br)s1 ZINC000043265237 362141271 /nfs/dbraw/zinc/14/12/71/362141271.db2.gz CISSCPVXUQTPAM-SVGQVSJJSA-N 1 0 250.161 2.281 10 0 CEAERO [NH3+]C[C@H](c1ccc(Br)s1)n1ccnc1 ZINC000043263227 362141451 /nfs/dbraw/zinc/14/14/51/362141451.db2.gz DPZQZXWFRUBFEV-SSDOTTSWSA-N 1 0 272.171 2.255 10 0 CEAERO Cc1cnn(CC[NH2+][C@H]2CCCc3cccnc32)c1 ZINC000236010521 539300846 /nfs/dbraw/zinc/30/08/46/539300846.db2.gz PKNLFEVXZYMJMW-AWEZNQCLSA-N 1 0 256.353 2.254 10 0 CEAERO CC[C@H](O)C[NH+]1CCN([C@H](C)c2cccc(C)c2)CC1 ZINC000174075674 529702357 /nfs/dbraw/zinc/70/23/57/529702357.db2.gz QNZINMGXKISEAV-WBVHZDCISA-N 1 0 276.424 2.445 10 0 CEAERO C[C@H]([NH2+]C[C@@H]1CCCS1(=O)=O)c1ccccc1F ZINC000126686819 187255907 /nfs/dbraw/zinc/25/59/07/187255907.db2.gz CUUFCNNXMQZLFU-QWRGUYRKSA-N 1 0 271.357 2.054 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc2c[nH]nc2c1 ZINC000126689167 187256290 /nfs/dbraw/zinc/25/62/90/187256290.db2.gz PXYUYQVVBIMGNV-IUODEOHRSA-N 1 0 270.380 2.231 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000037801403 343430708 /nfs/dbraw/zinc/43/07/08/343430708.db2.gz XLABUUIRCXJGGJ-GXTWGEPZSA-N 1 0 296.436 2.383 10 0 CEAERO CCO[C@@H]1C[NH2+]C[C@H](Oc2ccccc2)[C@@H]1c1cnco1 ZINC000038458397 343434082 /nfs/dbraw/zinc/43/40/82/343434082.db2.gz DVZXOVOEAOZSPQ-KBMXLJTQSA-N 1 0 288.347 2.214 10 0 CEAERO CCO[C@@H]1C[NH2+]C[C@@H](Oc2ccccc2)[C@@H]1c1cnco1 ZINC000038458399 343434405 /nfs/dbraw/zinc/43/44/05/343434405.db2.gz DVZXOVOEAOZSPQ-BMFZPTHFSA-N 1 0 288.347 2.214 10 0 CEAERO CCc1ccc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)o1 ZINC000133041182 136390093 /nfs/dbraw/zinc/39/00/93/136390093.db2.gz VEIPWGYNQIKXLC-ZDUSSCGKSA-N 1 0 286.379 2.391 10 0 CEAERO CCCCOCC[NH2+]CCOc1ccccc1OC ZINC000053567025 343579009 /nfs/dbraw/zinc/57/90/09/343579009.db2.gz GNSFQVZSIHTTKS-UHFFFAOYSA-N 1 0 267.369 2.480 10 0 CEAERO Cc1nn(C)cc1C[NH2+][C@@H]1CCOc2ccccc21 ZINC000125931434 282296951 /nfs/dbraw/zinc/29/69/51/282296951.db2.gz XAKIKUQENWBWSB-CQSZACIVSA-N 1 0 257.337 2.342 10 0 CEAERO COc1ccc(F)cc1C[N@@H+]1CCC[C@@H](O)[C@H]1C ZINC000295078723 199334402 /nfs/dbraw/zinc/33/44/02/199334402.db2.gz RRVRHXGXSJULNG-ZWNOBZJWSA-N 1 0 253.317 2.180 10 0 CEAERO C[NH+](C)Cc1ccc(C2(O)CCC3(CC2)OCCO3)cc1 ZINC000078222588 343943258 /nfs/dbraw/zinc/94/32/58/343943258.db2.gz MVOLDXDBMQFKJU-UHFFFAOYSA-N 1 0 291.391 2.253 10 0 CEAERO CC(C)[C@H]([NH3+])C(=O)N1CC[C@]2(CC[C@H](CCl)C2)C1 ZINC000095087995 344235870 /nfs/dbraw/zinc/23/58/70/344235870.db2.gz ZMJWYIZCNOYBBH-OBJOEFQTSA-N 1 0 272.820 2.227 10 0 CEAERO CCOC(=O)c1ccc(N2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000113034243 344276200 /nfs/dbraw/zinc/27/62/00/344276200.db2.gz UQZOVDYOGULDHG-LBPRGKRZSA-N 1 0 262.353 2.004 10 0 CEAERO C[C@H]1CCC[C@H](CCNC(=O)C(C)(C)N2CC[NH2+]CC2)C1 ZINC000129759738 344346900 /nfs/dbraw/zinc/34/69/00/344346900.db2.gz XZVXPUAMESWIJE-LSDHHAIUSA-N 1 0 295.471 2.003 10 0 CEAERO C[C@]1(C(=O)Nc2cccc3ccncc32)CCC[NH2+]1 ZINC000131149392 344356770 /nfs/dbraw/zinc/35/67/70/344356770.db2.gz ZCCZHKXJVWPBRS-OAHLLOKOSA-N 1 0 255.321 2.315 10 0 CEAERO CC[C@H]1c2ccsc2CCN1C(=O)C1([NH3+])CCOCC1 ZINC000132184120 344362084 /nfs/dbraw/zinc/36/20/84/344362084.db2.gz VQADEJYDKHGXFY-LBPRGKRZSA-N 1 0 294.420 2.092 10 0 CEAERO Cc1ccccc1[C@H](C)NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000139231533 344392884 /nfs/dbraw/zinc/39/28/84/344392884.db2.gz ZKUNRSXBXDCYQK-KBPBESRZSA-N 1 0 275.396 2.449 10 0 CEAERO C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)c1ccc(F)c(F)c1 ZINC000139232390 344392994 /nfs/dbraw/zinc/39/29/94/344392994.db2.gz RDPZKXDYIINIOF-JQWIXIFHSA-N 1 0 297.349 2.419 10 0 CEAERO COC(=O)[C@H]1C[NH2+]CC[C@H]1c1ccc(Cl)cc1 ZINC000147968957 344412739 /nfs/dbraw/zinc/41/27/39/344412739.db2.gz DXRLHHQCJXYHPB-RYUDHWBXSA-N 1 0 253.729 2.206 10 0 CEAERO [NH3+]C[C@@H]1CN(c2ccccc2)CCN1Cc1ccccc1 ZINC000148611581 344413941 /nfs/dbraw/zinc/41/39/41/344413941.db2.gz VSYZSVPGABQAMN-GOSISDBHSA-N 1 0 281.403 2.336 10 0 CEAERO C[NH+](C)C[C@@H]1CCCN1c1cc(N)c([N+](=O)[O-])cc1Cl ZINC000149203766 344414933 /nfs/dbraw/zinc/41/49/33/344414933.db2.gz HWUDWJALHDLWQA-VIFPVBQESA-N 1 0 298.774 2.361 10 0 CEAERO C[C@H]1CC(c2ccncc2[N+](=O)[O-])=CC(=O)[C@@H]1C[NH+](C)C ZINC000149822343 344415471 /nfs/dbraw/zinc/41/54/71/344415471.db2.gz MRURIDYMVHCNJL-GXFFZTMASA-N 1 0 289.335 2.160 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](Oc2ccncc2Br)C1 ZINC000159992548 344457142 /nfs/dbraw/zinc/45/71/42/344457142.db2.gz ARLIUZHHKQRINY-HTQZYQBOSA-N 1 0 257.131 2.103 10 0 CEAERO OC1(C[NH2+]C[C@@H]2CSc3ccccc32)CCOCC1 ZINC000162336129 344467369 /nfs/dbraw/zinc/46/73/69/344467369.db2.gz QYCNWIPLODZENQ-GFCCVEGCSA-N 1 0 279.405 2.007 10 0 CEAERO Cc1ccc(CN2CCO[C@H](C[NH+](C)C)C2)cc1C ZINC000128233986 187359022 /nfs/dbraw/zinc/35/90/22/187359022.db2.gz AWYHSINZGXKISM-MRXNPFEDSA-N 1 0 262.397 2.066 10 0 CEAERO O[C@@H]1CCCC[C@@H]1N1CC[NH+](C2CCCCC2)CC1 ZINC000221961762 344540097 /nfs/dbraw/zinc/54/00/97/344540097.db2.gz LIQJRITWCJLFRU-JKSUJKDBSA-N 1 0 266.429 2.240 10 0 CEAERO [O-][N+]1=C(c2cc3ccccc3o2)C=[N+](O)[C@@H]2CCCC[C@@H]21 ZINC000225405300 344545557 /nfs/dbraw/zinc/54/55/57/344545557.db2.gz YZVDZNRXOFZKOJ-OLZOCXBDSA-N 1 0 286.331 2.421 10 0 CEAERO C[C@@H]1C[NH+](C[C@@H](O)COCc2ccccc2)C[C@@H](C)S1 ZINC000226673098 344550971 /nfs/dbraw/zinc/55/09/71/344550971.db2.gz GLDUWTVWYYESIM-IIAWOOMASA-N 1 0 295.448 2.390 10 0 CEAERO CCc1cc(N2CCc3ccccc3[C@H]2C[NH3+])nc(C)n1 ZINC000227724852 344556379 /nfs/dbraw/zinc/55/63/79/344556379.db2.gz IXWMXLHJHKJWQF-MRXNPFEDSA-N 1 0 282.391 2.410 10 0 CEAERO [NH3+]C[C@H]1c2ccccc2CCN1c1nc(C2CC2)ns1 ZINC000227725497 344556409 /nfs/dbraw/zinc/55/64/09/344556409.db2.gz XICDDYZKBHCXIT-ZDUSSCGKSA-N 1 0 286.404 2.478 10 0 CEAERO [NH3+]C[C@H]1c2ccccc2CCN1c1ncnc2c1CCC2 ZINC000227725450 344556422 /nfs/dbraw/zinc/55/64/22/344556422.db2.gz DDIGDSBFUXITGP-INIZCTEOSA-N 1 0 280.375 2.028 10 0 CEAERO CCCCOC[C@H](O)C[NH2+]CCc1ccsc1 ZINC000227890375 344557610 /nfs/dbraw/zinc/55/76/10/344557610.db2.gz IUOUWOOJGIOPNG-CYBMUJFWSA-N 1 0 257.399 2.058 10 0 CEAERO Cc1nc([C@@H]2CNC(=[NH2+])N2Cc2ccccc2)cs1 ZINC000229332393 344565619 /nfs/dbraw/zinc/56/56/19/344565619.db2.gz JBMCRCGHNZCODJ-ZDUSSCGKSA-N 1 0 272.377 2.323 10 0 CEAERO C[C@@H]1CN(C(=O)c2ccccc2C(C)(C)C)C[C@H]1[NH3+] ZINC000235368410 344590325 /nfs/dbraw/zinc/59/03/25/344590325.db2.gz ZGIKUZXEWZQULK-BXUZGUMPSA-N 1 0 260.381 2.403 10 0 CEAERO C[C@H]([NH3+])[C@H](O)c1ccc(Br)c(Cl)c1 ZINC000235496292 344591562 /nfs/dbraw/zinc/59/15/62/344591562.db2.gz HLSQLOYOEWKSQF-CDUCUWFYSA-N 1 0 264.550 2.483 10 0 CEAERO [NH3+]C1CN(Cc2ccc(Br)c(Cl)c2)C1 ZINC000236170873 344595004 /nfs/dbraw/zinc/59/50/04/344595004.db2.gz GKAYOHAAWOEYFV-UHFFFAOYSA-N 1 0 275.577 2.245 10 0 CEAERO O[C@H](c1occc1Br)[C@H]1CCCC[NH2+]1 ZINC000236542731 344595916 /nfs/dbraw/zinc/59/59/16/344595916.db2.gz NIZBBWAVGSSCNP-BDAKNGLRSA-N 1 0 260.131 2.218 10 0 CEAERO Nc1cc(Br)ccc1S[C@H]1CC[NH2+]C1 ZINC000051784232 362438292 /nfs/dbraw/zinc/43/82/92/362438292.db2.gz JRVAQFPIWFCYDY-QMMMGPOBSA-N 1 0 273.199 2.485 10 0 CEAERO c1nnsc1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000232291820 344577224 /nfs/dbraw/zinc/57/72/24/344577224.db2.gz XRQAOTKKKHVEDN-GFCCVEGCSA-N 1 0 260.366 2.225 10 0 CEAERO O=C1NCCC[C@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000050393809 362416824 /nfs/dbraw/zinc/41/68/24/362416824.db2.gz DDKCEVMYCVZLAU-OAHLLOKOSA-N 1 0 254.333 2.208 10 0 CEAERO CCNC(=[NH2+])Nc1ccc(I)cc1 ZINC000052069054 362463135 /nfs/dbraw/zinc/46/31/35/362463135.db2.gz MLOHUSRNVUSJML-UHFFFAOYSA-N 1 0 289.120 2.247 10 0 CEAERO [NH3+]Cc1c(Br)nccc1OC(F)(F)F ZINC000238591293 344607004 /nfs/dbraw/zinc/60/70/04/344607004.db2.gz LXLKXNCYTYGBDA-UHFFFAOYSA-N 1 0 271.036 2.201 10 0 CEAERO [NH3+][C@H](CF)c1cccc(I)c1 ZINC000238685472 344607705 /nfs/dbraw/zinc/60/77/05/344607705.db2.gz NKOUTAOKPTVLIB-MRVPVSSYSA-N 1 0 265.069 2.261 10 0 CEAERO CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1(C)C ZINC000262280778 344654308 /nfs/dbraw/zinc/65/43/08/344654308.db2.gz KVRKOFSNQLCBEL-ZOBORPQBSA-N 1 0 282.428 2.166 10 0 CEAERO CC[C@@H]1C[C@@H]1[C@@H]([NH3+])c1c(Br)cnn1C ZINC000307138455 344720644 /nfs/dbraw/zinc/72/06/44/344720644.db2.gz ZSZZJSBHMSDJOZ-BKPPORCPSA-N 1 0 258.163 2.229 10 0 CEAERO Cc1cc(C(C)C)nc(N2CC[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000229100364 539405462 /nfs/dbraw/zinc/40/54/62/539405462.db2.gz DXDUMHGNXKSEAK-AAEUAGOBSA-N 1 0 262.401 2.330 10 0 CEAERO COC(=O)c1cccnc1C[N@H+](C)CCC(C)C ZINC000302372471 344703424 /nfs/dbraw/zinc/70/34/24/344703424.db2.gz OSCINZGNBNHZPU-UHFFFAOYSA-N 1 0 250.342 2.346 10 0 CEAERO C[C@H]1CS[C@@]2(CCN(C(=O)OC(C)(C)C)C2)[NH2+]1 ZINC000306594051 344715053 /nfs/dbraw/zinc/71/50/53/344715053.db2.gz XHRUYGWQJFUQCZ-JOYOIKCWSA-N 1 0 258.387 2.048 10 0 CEAERO C[NH2+][C@@H](c1occc1Br)[C@H]1CCCO1 ZINC000083713335 178722282 /nfs/dbraw/zinc/72/22/82/178722282.db2.gz XHGHJIIMTYIMSP-RKDXNWHRSA-N 1 0 260.131 2.482 10 0 CEAERO [NH3+][C@@H](Cc1ccc(Br)cc1F)[C@H]1CCOC1 ZINC000083716485 178723267 /nfs/dbraw/zinc/72/32/67/178723267.db2.gz YHNYVKRZELDRLN-CABZTGNLSA-N 1 0 288.160 2.495 10 0 CEAERO C[C@@H](O)[C@](C)(C[NH3+])Cc1ccc(Br)s1 ZINC000083777481 178746296 /nfs/dbraw/zinc/74/62/96/178746296.db2.gz OEWQYPNSFBCNGB-XCBNKYQSSA-N 1 0 278.215 2.399 10 0 CEAERO C[NH2+][C@H](C)CCC[S@@](=O)c1ccc(OC)cc1 ZINC000084002179 178769270 /nfs/dbraw/zinc/76/92/70/178769270.db2.gz CVENAPGRTZHLIX-DIFFPNOSSA-N 1 0 255.383 2.191 10 0 CEAERO CCC[S@@](=O)[C@@H]1COc2ccccc2[C@@H]1[NH2+]CC ZINC000084010403 178771605 /nfs/dbraw/zinc/77/16/05/178771605.db2.gz JVBUAYHSKXFFET-GLJUWKHASA-N 1 0 267.394 2.257 10 0 CEAERO COc1ccccc1C1CC([NH2+][C@@H]2CCC(=O)N(C)C2)C1 ZINC000084059493 178780077 /nfs/dbraw/zinc/78/00/77/178780077.db2.gz LQJWQKBWLFFGAO-ROKHWSDSSA-N 1 0 288.391 2.152 10 0 CEAERO CC[C@H](C)[NH2+][C@H](C)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000584605110 344963617 /nfs/dbraw/zinc/96/36/17/344963617.db2.gz BNZHZYBYIUOPJY-WDEREUQCSA-N 1 0 298.408 2.017 10 0 CEAERO CC(=O)OC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000584636974 344971039 /nfs/dbraw/zinc/97/10/39/344971039.db2.gz PCIRBEPOQCRAMP-UHFFFAOYSA-N 1 0 259.349 2.181 10 0 CEAERO CCOC(=O)C1(c2ccccc2)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000584640448 344971960 /nfs/dbraw/zinc/97/19/60/344971960.db2.gz JJCVSKBWDGRLFG-MZBDJJRSSA-N 1 0 259.349 2.402 10 0 CEAERO C[NH2+]CC1CCN(c2ncnc3ccccc32)CC1 ZINC000053664133 362498382 /nfs/dbraw/zinc/49/83/82/362498382.db2.gz ZTSWSVDZPSQTNQ-UHFFFAOYSA-N 1 0 256.353 2.066 10 0 CEAERO CC[N@H+](CC(C)C)C[C@H](O)CN(C)Cc1ccccc1 ZINC000588687081 345051693 /nfs/dbraw/zinc/05/16/93/345051693.db2.gz KHDMKBADAWTGHG-QGZVFWFLSA-N 1 0 278.440 2.457 10 0 CEAERO CC(C)([NH3+])CC(=O)N[C@H]1CCCC[C@H]1C(F)(F)F ZINC000084168326 178812755 /nfs/dbraw/zinc/81/27/55/178812755.db2.gz RSAZTFNLHRBXLP-BDAKNGLRSA-N 1 0 266.307 2.351 10 0 CEAERO CCOC(=O)c1ccc(NC(=O)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000054308866 362526357 /nfs/dbraw/zinc/52/63/57/362526357.db2.gz LXJKYGQCJGQNTN-LBPRGKRZSA-N 1 0 290.363 2.192 10 0 CEAERO COc1cc(OC)c([C@H]2[NH2+]CC[C@@H]2C)c(OC)c1 ZINC000084237935 178830590 /nfs/dbraw/zinc/83/05/90/178830590.db2.gz CJLBTRDDCKUEFR-XPTSAGLGSA-N 1 0 251.326 2.383 10 0 CEAERO [NH3+]C[C@H]1CCCCC[C@@H]1S(=O)(=O)C1CCCC1 ZINC000084272502 178838837 /nfs/dbraw/zinc/83/88/37/178838837.db2.gz OXUCGASKFLEFBV-YPMHNXCESA-N 1 0 259.415 2.251 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1S(=O)(=O)c1ccccc1Cl ZINC000084267810 178835355 /nfs/dbraw/zinc/83/53/55/178835355.db2.gz GGGWAXROSONCAK-GXSJLCMTSA-N 1 0 273.785 2.241 10 0 CEAERO CC[C@@H](CC[NH3+])S(=O)(=O)c1cc(C)ccc1C ZINC000084268240 178835373 /nfs/dbraw/zinc/83/53/73/178835373.db2.gz YTTJWRWTKDAKLE-LBPRGKRZSA-N 1 0 255.383 2.205 10 0 CEAERO CCOC(=O)[C@@](C)(N)C[C@@H](C)[N@H+](C)C(CC)CC ZINC000084309623 178853008 /nfs/dbraw/zinc/85/30/08/178853008.db2.gz WKQXWARCLNMDKM-RISCZKNCSA-N 1 0 258.406 2.166 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC1CCSCC1 ZINC000229408885 539467285 /nfs/dbraw/zinc/46/72/85/539467285.db2.gz CXPULASQRUCDAF-TZMCWYRMSA-N 1 0 254.443 2.298 10 0 CEAERO C[NH2+][C@H](C)C[C@H](C)S(=O)(=O)Cc1ccccc1C ZINC000084357634 178868657 /nfs/dbraw/zinc/86/86/57/178868657.db2.gz YTHRBUKNTFNGJL-OLZOCXBDSA-N 1 0 269.410 2.296 10 0 CEAERO C[NH2+][C@@H]1CC[C@H](S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000084432990 178887091 /nfs/dbraw/zinc/88/70/91/178887091.db2.gz CYTODOYNBJWLCL-PWSUYJOCSA-N 1 0 273.785 2.254 10 0 CEAERO CCOC(=O)CC1([NH+]2CCOCC2)C[C@H](C)C[C@@H](C)C1 ZINC000084474800 178894379 /nfs/dbraw/zinc/89/43/79/178894379.db2.gz DOQTVZBMGLNOSV-ZIAGYGMSSA-N 1 0 283.412 2.467 10 0 CEAERO Cc1cc(C[C@@H]([NH3+])c2ccncc2Cl)n(C)n1 ZINC000097273297 185575303 /nfs/dbraw/zinc/57/53/03/185575303.db2.gz UBXBYEDOWABSGZ-GFCCVEGCSA-N 1 0 250.733 2.019 10 0 CEAERO CC[NH2+][C@@H](CCC(F)(F)F)C[C@@H]1CCS(=O)(=O)C1 ZINC000097233093 185569714 /nfs/dbraw/zinc/56/97/14/185569714.db2.gz QXOJTPDNBZJSAO-UWVGGRQHSA-N 1 0 287.347 2.132 10 0 CEAERO Cc1nn(C)c(C[C@@H]([NH3+])COC(C)(C)C)c1Cl ZINC000097273815 185575498 /nfs/dbraw/zinc/57/54/98/185575498.db2.gz HPTVUUOFAGLMCY-SECBINFHSA-N 1 0 259.781 2.067 10 0 CEAERO COCC[NH2+]C[C@@](C)(O)Cc1ccc(F)cc1Cl ZINC000097241323 185572266 /nfs/dbraw/zinc/57/22/66/185572266.db2.gz XIJDTQYSJXBCET-ZDUSSCGKSA-N 1 0 275.751 2.009 10 0 CEAERO CCCn1ncnc1C[C@@H]([NH2+]CC)c1cc(C)nn1CC ZINC000097282151 185579073 /nfs/dbraw/zinc/57/90/73/185579073.db2.gz PZMISWHQXGRNKW-CYBMUJFWSA-N 1 0 290.415 2.106 10 0 CEAERO C[NH2+][C@H](Cc1ncnn1CC(C)C)[C@@]1(C)CCCS1 ZINC000097278449 185578185 /nfs/dbraw/zinc/57/81/85/185578185.db2.gz FKGSOYRFNLUMJU-TZMCWYRMSA-N 1 0 282.457 2.350 10 0 CEAERO CC[NH2+][C@@H](CSc1cccc(F)c1)Cc1ncnn1C ZINC000097327988 185585977 /nfs/dbraw/zinc/58/59/77/185585977.db2.gz WQDIOOCFFMUBMD-GFCCVEGCSA-N 1 0 294.399 2.267 10 0 CEAERO CO[C@@H](C)CC[C@H]([NH3+])Cc1nc2ccccc2n1C ZINC000097303470 185581675 /nfs/dbraw/zinc/58/16/75/185581675.db2.gz LRFWGSCDURYOBB-RYUDHWBXSA-N 1 0 261.369 2.258 10 0 CEAERO CC[NH2+][C@H](Cc1nccn1C)[C@@]1(C)CCCS1 ZINC000097309718 185583398 /nfs/dbraw/zinc/58/33/98/185583398.db2.gz XPQZLNRPVADATQ-DGCLKSJQSA-N 1 0 253.415 2.226 10 0 CEAERO CC[C@@H](C)N1C(=O)C[C@H]([NH2+]C2C[C@H](C)C[C@H](C)C2)C1=O ZINC000084974492 178936811 /nfs/dbraw/zinc/93/68/11/178936811.db2.gz UJJPHJJXKLBRHU-HLYYOIJPSA-N 1 0 280.412 2.327 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CNc3[nH+]ccn32)C1 ZINC000232498763 539495259 /nfs/dbraw/zinc/49/52/59/539495259.db2.gz JHRQBHCLBBCKOC-MNOVXSKESA-N 1 0 278.356 2.107 10 0 CEAERO C[NH2+][C@@H](CCc1c(C)nn(C)c1C)c1cncc(OC)c1 ZINC000097380878 185595211 /nfs/dbraw/zinc/59/52/11/185595211.db2.gz UNZHIJGPZYDGGY-INIZCTEOSA-N 1 0 288.395 2.334 10 0 CEAERO CC(C)COC[C@@H](O)C[NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000085055548 178944621 /nfs/dbraw/zinc/94/46/21/178944621.db2.gz YERTUTARTQFYHI-QPSCCSFWSA-N 1 0 257.418 2.434 10 0 CEAERO Cc1cccc(SC[C@H]([NH3+])Cc2cnn(C)c2)c1 ZINC000097395580 185598530 /nfs/dbraw/zinc/59/85/30/185598530.db2.gz QJPRNDKYXDKYFQ-CYBMUJFWSA-N 1 0 261.394 2.391 10 0 CEAERO COC(=O)C[C@@H](c1ccc(OC)c(C)c1)C(C)(C)[NH3+] ZINC000097433723 185603372 /nfs/dbraw/zinc/60/33/72/185603372.db2.gz CHQXGLQEKMCKJZ-LBPRGKRZSA-N 1 0 265.353 2.388 10 0 CEAERO CCCOc1cccc([C@@H](CC(=O)OC)[C@@H](C)[NH3+])c1 ZINC000097430784 185601755 /nfs/dbraw/zinc/60/17/55/185601755.db2.gz PCKGUBLOZLFCQW-RISCZKNCSA-N 1 0 265.353 2.469 10 0 CEAERO C[C@H](NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)[C@H]1CCCO1 ZINC000173980364 232286325 /nfs/dbraw/zinc/28/63/25/232286325.db2.gz AAJNRJATFDGTSV-SOUVJXGZSA-N 1 0 297.443 2.070 10 0 CEAERO CCO[C@H](C[NH3+])c1ccc(OC)c(Br)c1 ZINC000085091221 178948570 /nfs/dbraw/zinc/94/85/70/178948570.db2.gz VVFHOHWFRVYKRN-LLVKDONJSA-N 1 0 274.158 2.494 10 0 CEAERO CCC[C@H](C(=O)Nc1cc(-c2ccncc2)[nH]n1)[NH+](C)C ZINC000128297347 187362612 /nfs/dbraw/zinc/36/26/12/187362612.db2.gz VLJBIAYGCOFUMT-CYBMUJFWSA-N 1 0 287.367 2.141 10 0 CEAERO CCC[NH2+]C[C@@]1(Cc2ccn(C(C)C)n2)CCOC1 ZINC000085170977 178961819 /nfs/dbraw/zinc/96/18/19/178961819.db2.gz GRNZWDKNDHAFPQ-HNNXBMFYSA-N 1 0 265.401 2.413 10 0 CEAERO NN[C@H](Cc1c[nH+]ccc1N)c1cccc(C(F)(F)F)c1 ZINC000097483172 185614550 /nfs/dbraw/zinc/61/45/50/185614550.db2.gz MGRHZCUDBYNGIK-CYBMUJFWSA-N 1 0 296.296 2.430 10 0 CEAERO CCC[NH2+][C@@H](CO)CN(C)c1ccc(CC)cc1 ZINC000085214865 178978671 /nfs/dbraw/zinc/97/86/71/178978671.db2.gz SZNXANGAWGVITD-CQSZACIVSA-N 1 0 250.386 2.046 10 0 CEAERO Cc1ccccc1N(C)CC[C@@H](CO)[NH2+]C(C)C ZINC000085214723 178978541 /nfs/dbraw/zinc/97/85/41/178978541.db2.gz MYNACMXTQQNFLS-AWEZNQCLSA-N 1 0 250.386 2.180 10 0 CEAERO CC[NH2+][C@](C)(CO)CN(CC)c1ccc(C)cc1 ZINC000085214475 178978563 /nfs/dbraw/zinc/97/85/63/178978563.db2.gz JZUPPKKRNFUIQB-HNNXBMFYSA-N 1 0 250.386 2.182 10 0 CEAERO CCN(C[C@@](C)(CO)[NH2+]C(C)C)c1cccc(F)c1 ZINC000085241994 178984274 /nfs/dbraw/zinc/98/42/74/178984274.db2.gz KTTMBJYYBRZBOB-HNNXBMFYSA-N 1 0 268.376 2.401 10 0 CEAERO CC[C@](C)([C@@H](Cc1ccncc1)NN)[NH+]1CCCCC1 ZINC000097585521 185632158 /nfs/dbraw/zinc/63/21/58/185632158.db2.gz XSTHDKDCCRYAKV-HZPDHXFCSA-N 1 0 276.428 2.111 10 0 CEAERO CCC[NH2+][C@@H](CO)CN1CCC[C@H](C(C)C)CC1 ZINC000085261703 178990474 /nfs/dbraw/zinc/99/04/74/178990474.db2.gz PTARRRCVTMNRPR-LSDHHAIUSA-N 1 0 256.434 2.105 10 0 CEAERO Cc1ccc(OC[C@@](C)([NH3+])CO)c(C(C)(C)C)c1 ZINC000085283150 179000646 /nfs/dbraw/zinc/00/06/46/179000646.db2.gz LBCCFHCSEIHYOV-HNNXBMFYSA-N 1 0 251.370 2.381 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCOc1c(C)cccc1C ZINC000085283224 179000757 /nfs/dbraw/zinc/00/07/57/179000757.db2.gz GXCBTSBSMBJNIK-OAHLLOKOSA-N 1 0 251.370 2.433 10 0 CEAERO CC[NH2+][C@@H](CO)COc1ccccc1C(F)(F)F ZINC000085282945 179000829 /nfs/dbraw/zinc/00/08/29/179000829.db2.gz UNCKVCLIGJFMCZ-VIFPVBQESA-N 1 0 263.259 2.055 10 0 CEAERO CCC[NH2+][C@@](C)(CO)C[C@@H](C)OCC(F)(F)F ZINC000085282822 179000988 /nfs/dbraw/zinc/00/09/88/179000988.db2.gz XMTVSKOFSAKLEX-NXEZZACHSA-N 1 0 257.296 2.095 10 0 CEAERO CCOc1ccc(OCCC[C@@](C)(CO)[NH2+]C)cc1 ZINC000085283377 179001584 /nfs/dbraw/zinc/00/15/84/179001584.db2.gz AHQODSMEHCKCHD-HNNXBMFYSA-N 1 0 267.369 2.215 10 0 CEAERO CCOc1ccc(OC[C@@](C)(CO)[NH2+]C(C)C)cc1 ZINC000085283355 179001735 /nfs/dbraw/zinc/00/17/35/179001735.db2.gz BUJUYOHNDULRNK-OAHLLOKOSA-N 1 0 267.369 2.213 10 0 CEAERO CCc1cccc(OCCC[C@](C)(CO)[NH2+]C)c1 ZINC000085270349 178998633 /nfs/dbraw/zinc/99/86/33/178998633.db2.gz FSPYLXATGCABFY-OAHLLOKOSA-N 1 0 251.370 2.378 10 0 CEAERO CC[NH2+][C@@](C)(CO)C[C@@H](C)Oc1cccc(F)c1 ZINC000085285448 179003360 /nfs/dbraw/zinc/00/33/60/179003360.db2.gz FHACVRRJCDVMJG-BXUZGUMPSA-N 1 0 255.333 2.344 10 0 CEAERO CC[NH2+][C@@](C)(CO)C[C@H](C)Oc1cccc(F)c1 ZINC000085285452 179003463 /nfs/dbraw/zinc/00/34/63/179003463.db2.gz FHACVRRJCDVMJG-SMDDNHRTSA-N 1 0 255.333 2.344 10 0 CEAERO CC[NH2+][C@](C)(CO)C[C@@H](C)Oc1ccccc1OC ZINC000085285343 179003590 /nfs/dbraw/zinc/00/35/90/179003590.db2.gz RVIKKEPUGKWJIE-DOMZBBRYSA-N 1 0 267.369 2.213 10 0 CEAERO C[C@H]1CC[C@H](OC[C@@](C)(CO)[NH2+]C2CC2)C[C@@H]1C ZINC000085287141 179004779 /nfs/dbraw/zinc/00/47/79/179004779.db2.gz XTHBBJDIRVGDSV-NZBPQXDJSA-N 1 0 255.402 2.331 10 0 CEAERO Cc1cc(C)nc(SCC[C@@](C)(CO)[NH2+]C(C)C)n1 ZINC000085287988 179005381 /nfs/dbraw/zinc/00/53/81/179005381.db2.gz BWFHIBDRVZHWEO-AWEZNQCLSA-N 1 0 283.441 2.325 10 0 CEAERO COc1cccc(S[C@@H](C)C[C@@](C)([NH3+])CO)c1 ZINC000085291089 179006690 /nfs/dbraw/zinc/00/66/90/179006690.db2.gz AQZDFAOGQWQISR-GXFFZTMASA-N 1 0 255.383 2.276 10 0 CEAERO C[C@](CO)(CSc1nc2ccccc2[nH]1)[NH2+]C1CC1 ZINC000085291735 179007091 /nfs/dbraw/zinc/00/70/91/179007091.db2.gz JGKSXRSDWRYAAT-AWEZNQCLSA-N 1 0 277.393 2.158 10 0 CEAERO CC[NH2+][C@@](C)(CO)CSc1nc2ccccc2o1 ZINC000085292460 179007703 /nfs/dbraw/zinc/00/77/03/179007703.db2.gz ZDJSWXDENXIEST-ZDUSSCGKSA-N 1 0 266.366 2.280 10 0 CEAERO CC(C)[NH2+][C@H](CO)CSc1ccc(F)c(F)c1 ZINC000085298042 179009048 /nfs/dbraw/zinc/00/90/48/179009048.db2.gz XDWCDRUNFYEPNV-SECBINFHSA-N 1 0 261.337 2.416 10 0 CEAERO CCC[NH2+][C@](C)(CO)CCCSc1ncc(C)cn1 ZINC000085297728 179009233 /nfs/dbraw/zinc/00/92/33/179009233.db2.gz HACOVOHDWPBALL-AWEZNQCLSA-N 1 0 283.441 2.408 10 0 CEAERO C[NH2+][C@](C)(CO)CCCCSc1ncc(C)cn1 ZINC000085297746 179009311 /nfs/dbraw/zinc/00/93/11/179009311.db2.gz PMOLDGROXBWOIT-ZDUSSCGKSA-N 1 0 269.414 2.018 10 0 CEAERO COc1ccccc1SCCC[C@](C)([NH3+])CO ZINC000085297575 179009329 /nfs/dbraw/zinc/00/93/29/179009329.db2.gz RBHHLSLNBGJZSF-ZDUSSCGKSA-N 1 0 255.383 2.277 10 0 CEAERO [NH3+][C@@](CO)(CSCc1ccco1)c1ccccc1 ZINC000085297922 179009540 /nfs/dbraw/zinc/00/95/40/179009540.db2.gz ONFXKCQOVLIMOZ-AWEZNQCLSA-N 1 0 263.362 2.359 10 0 CEAERO C[C@@H](C[C@](C)(CO)[NH2+]C1CC1)Oc1ccc(F)cc1 ZINC000085285149 179002886 /nfs/dbraw/zinc/00/28/86/179002886.db2.gz WRKSJYMNOSAIPL-XHDPSFHLSA-N 1 0 267.344 2.486 10 0 CEAERO C[C@H](C[C@@](C)(O)C[NH3+])n1cc(-c2ccccc2)cn1 ZINC000085304462 179010777 /nfs/dbraw/zinc/01/07/77/179010777.db2.gz WXFWGOKXGRHYDW-IUODEOHRSA-N 1 0 259.353 2.211 10 0 CEAERO CN(CCCC[C@@](C)(O)C[NH3+])c1ccccc1F ZINC000085303582 179011574 /nfs/dbraw/zinc/01/15/74/179011574.db2.gz MVPFYXXYFSYJNM-CQSZACIVSA-N 1 0 254.349 2.142 10 0 CEAERO C[C@@H]1CCCC[C@@H]1OC[C@@](O)(C[NH3+])c1ccccc1 ZINC000085305982 179011840 /nfs/dbraw/zinc/01/18/40/179011840.db2.gz HVWWHIDRGQCUOR-KBMXLJTQSA-N 1 0 263.381 2.428 10 0 CEAERO C[C@@H]1CCCC[C@H]1OC[C@@](O)(C[NH3+])c1ccccc1 ZINC000085305985 179012197 /nfs/dbraw/zinc/01/21/97/179012197.db2.gz HVWWHIDRGQCUOR-BMFZPTHFSA-N 1 0 263.381 2.428 10 0 CEAERO CCC(C)(C)c1ccc(OCC[C@@H](O)C[NH3+])cc1 ZINC000085306917 179012572 /nfs/dbraw/zinc/01/25/72/179012572.db2.gz RVSXLBOKCSABEA-CYBMUJFWSA-N 1 0 251.370 2.463 10 0 CEAERO C[C@](O)(C[NH3+])CCCSc1nc2ccccc2[nH]1 ZINC000085308458 179013059 /nfs/dbraw/zinc/01/30/59/179013059.db2.gz GOHNGXHWZRKGSR-CYBMUJFWSA-N 1 0 265.382 2.145 10 0 CEAERO C[C@H](NC(=O)CSCCC[NH3+])c1cccs1 ZINC000085315798 179013775 /nfs/dbraw/zinc/01/37/75/179013775.db2.gz IRIWIALFGFGWBN-VIFPVBQESA-N 1 0 258.412 2.007 10 0 CEAERO COc1ccccc1S[C@H](C)C[C@](C)(O)C[NH3+] ZINC000085320472 179014350 /nfs/dbraw/zinc/01/43/50/179014350.db2.gz BVZFKILFOYEDLL-MFKMUULPSA-N 1 0 255.383 2.276 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)OCCc1cccs1 ZINC000085331216 179020695 /nfs/dbraw/zinc/02/06/95/179020695.db2.gz DOZFARXXDGPHAK-RYUDHWBXSA-N 1 0 253.367 2.351 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)Nc1ccc(F)c(F)c1F ZINC000085355907 179030266 /nfs/dbraw/zinc/03/02/66/179030266.db2.gz QVZKYRTXTFUKCJ-POYBYMJQSA-N 1 0 258.243 2.170 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)NCc1ccccc1Cl ZINC000085355966 179030414 /nfs/dbraw/zinc/03/04/14/179030414.db2.gz VQQRGQKMTLXVIM-AAEUAGOBSA-N 1 0 266.772 2.474 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1ccc(Br)cn1 ZINC000085357750 179030848 /nfs/dbraw/zinc/03/08/48/179030848.db2.gz GQROZGQKORMGRV-NXEZZACHSA-N 1 0 298.184 2.300 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1nc2ccccc2s1 ZINC000085357263 179030894 /nfs/dbraw/zinc/03/08/94/179030894.db2.gz BNXIADLIJIFJJZ-RKDXNWHRSA-N 1 0 261.350 2.362 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cn1 ZINC000085357754 179030914 /nfs/dbraw/zinc/03/09/14/179030914.db2.gz JUNLVGSXVMEYAJ-ZJUUUORDSA-N 1 0 253.733 2.191 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)N1CCC[C@@H]1c1cccnc1 ZINC000085358794 179031098 /nfs/dbraw/zinc/03/10/98/179031098.db2.gz DGUFVKCELBBQJJ-QLFBSQMISA-N 1 0 273.380 2.263 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000085359452 179031818 /nfs/dbraw/zinc/03/18/18/179031818.db2.gz ADXGZBPLUUUNMN-STQMWFEESA-N 1 0 287.363 2.027 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000085359454 179031966 /nfs/dbraw/zinc/03/19/66/179031966.db2.gz ADXGZBPLUUUNMN-CHWSQXEVSA-N 1 0 287.363 2.027 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1cccnc1N1CCCC1 ZINC000085360220 179032259 /nfs/dbraw/zinc/03/22/59/179032259.db2.gz CYLWZTIJFXKHIT-OLZOCXBDSA-N 1 0 288.395 2.138 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1-n1ccnc1 ZINC000085359949 179032588 /nfs/dbraw/zinc/03/25/88/179032588.db2.gz UKFGJJJZEVTGPO-CHWSQXEVSA-N 1 0 284.363 2.328 10 0 CEAERO CC(C)[N@H+](C[C@H](O)COCc1ccccc1)C1CC1 ZINC000061165657 362677120 /nfs/dbraw/zinc/67/71/20/362677120.db2.gz KBKNZSLBPVNEFR-INIZCTEOSA-N 1 0 263.381 2.437 10 0 CEAERO CCC(=O)Nc1ccc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000085362938 179034722 /nfs/dbraw/zinc/03/47/22/179034722.db2.gz ACJJWDVLNWREON-STQMWFEESA-N 1 0 275.352 2.101 10 0 CEAERO CC(C)[C@@H](C)NC(=O)NCC[NH+](C(C)C)C(C)C ZINC000060955040 362673026 /nfs/dbraw/zinc/67/30/26/362673026.db2.gz BMXDDBUHCIVIPM-CYBMUJFWSA-N 1 0 257.422 2.449 10 0 CEAERO Cc1nn(C(C)C)c(C)c1NC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085366368 179036931 /nfs/dbraw/zinc/03/69/31/179036931.db2.gz OACZULNIPPJOCM-VXGBXAGGSA-N 1 0 264.373 2.147 10 0 CEAERO CCOc1ccc(CN(C)C(=O)[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000085366489 179037021 /nfs/dbraw/zinc/03/70/21/179037021.db2.gz FBKKRWBQDNDOFT-HUUCEWRRSA-N 1 0 276.380 2.171 10 0 CEAERO Cc1cc([C@H]2CCCN2C(=O)[C@@H]2CCCC[C@@H]2[NH3+])on1 ZINC000085369077 179038542 /nfs/dbraw/zinc/03/85/42/179038542.db2.gz SDMGTFYWUJXUEZ-FRRDWIJNSA-N 1 0 277.368 2.164 10 0 CEAERO CC(C)N(Cc1ccccn1)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085368839 179038801 /nfs/dbraw/zinc/03/88/01/179038801.db2.gz AXBWEACENCZBKG-GJZGRUSLSA-N 1 0 275.396 2.336 10 0 CEAERO Cc1nc2cc(NC(=O)[C@H]3CCC[C@H]3[NH3+])ccc2o1 ZINC000085371296 179041338 /nfs/dbraw/zinc/04/13/38/179041338.db2.gz ZRMLGLDJNNQBKN-WDEREUQCSA-N 1 0 259.309 2.202 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1nc(C2CC2)cs1 ZINC000085372572 179042052 /nfs/dbraw/zinc/04/20/52/179042052.db2.gz BCTOPZLXVAMGSW-NXEZZACHSA-N 1 0 265.382 2.477 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)N(CC(F)(F)F)C1CC1 ZINC000085372869 179042449 /nfs/dbraw/zinc/04/24/49/179042449.db2.gz GHKVWGTURXYHKB-VHSXEESVSA-N 1 0 264.291 2.057 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)N1CCCc2ccccc2C1 ZINC000085375025 179043279 /nfs/dbraw/zinc/04/32/79/179043279.db2.gz CPGJUTOTOKORBG-GJZGRUSLSA-N 1 0 258.365 2.089 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)N(CC1CC1)CC1CC1 ZINC000085375926 179044157 /nfs/dbraw/zinc/04/41/57/179044157.db2.gz LEDNLNDSCPNWEU-UONOGXRCSA-N 1 0 250.386 2.153 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+][C@@H](CC(C)C)C(=O)N(C)C)C1(C)C ZINC000085381561 179045395 /nfs/dbraw/zinc/04/53/95/179045395.db2.gz FLFHLRRNBVJEEF-MJBXVCDLSA-N 1 0 284.444 2.283 10 0 CEAERO COC(=O)c1ccc(F)cc1NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085364858 179036239 /nfs/dbraw/zinc/03/62/39/179036239.db2.gz VSPIDPYOVQWRIA-JQWIXIFHSA-N 1 0 294.326 2.068 10 0 CEAERO COCCOc1cc(C)ccc1NC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085365979 179036384 /nfs/dbraw/zinc/03/63/84/179036384.db2.gz VUYJLWOQRZAUDL-STQMWFEESA-N 1 0 292.379 2.086 10 0 CEAERO CC(=O)Nc1cc(NC(=O)[C@H]2CCCC[C@H]2[NH3+])ccc1F ZINC000085365510 179036413 /nfs/dbraw/zinc/03/64/13/179036413.db2.gz DXKRFXJHUJPCJN-WCQYABFASA-N 1 0 293.342 2.240 10 0 CEAERO CCOc1cc(C)ccc1NC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085365911 179036556 /nfs/dbraw/zinc/03/65/56/179036556.db2.gz PTBQVDJHTDNERP-NWDGAFQWSA-N 1 0 262.353 2.460 10 0 CEAERO C[C@@H]1CCC[C@@](C[NH3+])(Nc2ncncc2Cl)C1 ZINC000097848794 185673793 /nfs/dbraw/zinc/67/37/93/185673793.db2.gz FNTSAXVIRKGOHP-BXKDBHETSA-N 1 0 254.765 2.450 10 0 CEAERO CCC1CCC(C[NH2+]Cc2cnn(CCO)c2)CC1 ZINC000085433631 179061154 /nfs/dbraw/zinc/06/11/54/179061154.db2.gz PSHVOJLYBMQPPM-UHFFFAOYSA-N 1 0 265.401 2.181 10 0 CEAERO Brc1ccc(CSCC2C[NH2+]C2)o1 ZINC000085444285 179063878 /nfs/dbraw/zinc/06/38/78/179063878.db2.gz XTNGSMVFCBQWNH-UHFFFAOYSA-N 1 0 262.172 2.495 10 0 CEAERO CC(C)n1ccc(CN2CC(C)(C)[NH2+]C[C@@H]2C)n1 ZINC000085468950 179073848 /nfs/dbraw/zinc/07/38/48/179073848.db2.gz BXGQIBUHMPCTHP-LBPRGKRZSA-N 1 0 250.390 2.036 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C(C)C)CN1Cc1cnn(CC)c1 ZINC000085450566 179065460 /nfs/dbraw/zinc/06/54/60/179065460.db2.gz HYXLDCKFDBXWFJ-CABCVRRESA-N 1 0 264.417 2.111 10 0 CEAERO CCc1ccc(CN2CC[NH2+]C[C@@H]2C2CC2)s1 ZINC000085451487 179066142 /nfs/dbraw/zinc/06/61/42/179066142.db2.gz OUBPTLWWUVZRPO-CQSZACIVSA-N 1 0 250.411 2.494 10 0 CEAERO CCC[C@@H]1CN[C@@H](C)C[N@@H+]1[C@@H]1CCC[C@H](OC)C1 ZINC000085453510 179066865 /nfs/dbraw/zinc/06/68/65/179066865.db2.gz ODFUVUKLZWKPCM-YJNKXOJESA-N 1 0 254.418 2.406 10 0 CEAERO CCC[C@H]1CN[C@H](C)C[N@@H+]1[C@@H]1CCC[C@H](OC)C1 ZINC000085453509 179067046 /nfs/dbraw/zinc/06/70/46/179067046.db2.gz ODFUVUKLZWKPCM-KBXIAJHMSA-N 1 0 254.418 2.406 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@H](CC)CN1CCn1ccnc1C ZINC000085472662 179077309 /nfs/dbraw/zinc/07/73/09/179077309.db2.gz ZZKZQVDRYQARBI-LSDHHAIUSA-N 1 0 264.417 2.044 10 0 CEAERO CC[C@H](C)[C@@H]1CN[C@@H](CC)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085473048 179078120 /nfs/dbraw/zinc/07/81/20/179078120.db2.gz IHEROQHHTLKZSG-AJNGGQMLSA-N 1 0 254.418 2.264 10 0 CEAERO CC[C@H]1C[N@H+](CCCOC)C2(CCCCC2)CN1 ZINC000085474921 179078442 /nfs/dbraw/zinc/07/84/42/179078442.db2.gz VXYVBBHUAHHCIT-AWEZNQCLSA-N 1 0 254.418 2.410 10 0 CEAERO CC[C@H]1C[NH2+][C@H](CC(C)C)CN1Cc1ncccn1 ZINC000085487272 179081301 /nfs/dbraw/zinc/08/13/01/179081301.db2.gz TWPYAWHQQOQTCN-KGLIPLIRSA-N 1 0 262.401 2.075 10 0 CEAERO CC1(C)C[N@H+](C[C@@H]2CCOC2)C2(CCCC2)CN1 ZINC000085471473 179076047 /nfs/dbraw/zinc/07/60/47/179076047.db2.gz DIKMSRWEPJKOFO-ZDUSSCGKSA-N 1 0 252.402 2.020 10 0 CEAERO CC(C)[C@H]1CN[C@](C)(C2CC2)C[N@@H+]1CCCn1ccnc1 ZINC000085512045 179085826 /nfs/dbraw/zinc/08/58/26/179085826.db2.gz BNQBETSOHBMWIE-SJORKVTESA-N 1 0 290.455 2.372 10 0 CEAERO CC[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1CCOCC(F)(F)F ZINC000085510085 179085833 /nfs/dbraw/zinc/08/58/33/179085833.db2.gz IRCJXLOGCBXOTG-CHWSQXEVSA-N 1 0 294.361 2.418 10 0 CEAERO CCC1(CC)C[N@H+]([C@@H]2CCOC2)[C@@H](C(C)C)CN1 ZINC000085518103 179088024 /nfs/dbraw/zinc/08/80/24/179088024.db2.gz DEUMYIDHHALHTR-ZIAGYGMSSA-N 1 0 254.418 2.264 10 0 CEAERO CC1(C)C[NH2+]C2(CCCC2)CN1C[C@H]1CCCO1 ZINC000085498532 179082984 /nfs/dbraw/zinc/08/29/84/179082984.db2.gz WJTPRXPWUBWTKE-CYBMUJFWSA-N 1 0 252.402 2.162 10 0 CEAERO CCCCOCCN1CC2(CCCC2)[NH2+]C[C@@H]1C ZINC000085497505 179083715 /nfs/dbraw/zinc/08/37/15/179083715.db2.gz HADPOSQZVJZHAD-AWEZNQCLSA-N 1 0 254.418 2.410 10 0 CEAERO [NH3+]C1CC(Oc2ccccc2I)C1 ZINC000085524453 179088726 /nfs/dbraw/zinc/08/87/26/179088726.db2.gz KKMMHUORDXCCJZ-UHFFFAOYSA-N 1 0 289.116 2.160 10 0 CEAERO Cc1nccn1CCN1C[C@H](C2CC2)[NH2+]CC12CCCC2 ZINC000085529077 179090354 /nfs/dbraw/zinc/09/03/54/179090354.db2.gz GLIGBVLAABZJEI-MRXNPFEDSA-N 1 0 288.439 2.188 10 0 CEAERO CCC1(CC)C[NH2+][C@@H](C2CC2)CN1Cc1cnn(C)c1 ZINC000085528963 179090966 /nfs/dbraw/zinc/09/09/66/179090966.db2.gz FVMYSEQDBMGLEC-OAHLLOKOSA-N 1 0 276.428 2.163 10 0 CEAERO c1ccc([C@@H]2CN[C@@H](C3CC3)C[N@H+]2C[C@@H]2CCOC2)cc1 ZINC000085527304 179091050 /nfs/dbraw/zinc/09/10/50/179091050.db2.gz HXYNDCVSUAEHEF-QGTPRVQTSA-N 1 0 286.419 2.448 10 0 CEAERO C[C@H]1CN[C@](C)(c2ccccc2)C[N@@H+]1CCn1cccn1 ZINC000085531774 179091644 /nfs/dbraw/zinc/09/16/44/179091644.db2.gz GEAJSURXEDIIKG-RDJZCZTQSA-N 1 0 284.407 2.092 10 0 CEAERO C[C@@H]1C[NH2+][C@](C)(c2ccccc2)CN1Cc1ncccn1 ZINC000085531675 179092043 /nfs/dbraw/zinc/09/20/43/179092043.db2.gz FYJZHOHBBUBGCQ-PBHICJAKSA-N 1 0 282.391 2.186 10 0 CEAERO C[C@H]([NH3+])c1nc(CN(C)[C@@H]2CCSC2)cs1 ZINC000085549780 179093196 /nfs/dbraw/zinc/09/31/96/179093196.db2.gz BZQKFXOKCIPDGI-WCBMZHEXSA-N 1 0 257.428 2.100 10 0 CEAERO CC(C)Cc1nc2c(n1CCCn1ccnc1)CC[NH2+]C2 ZINC000085568583 179094919 /nfs/dbraw/zinc/09/49/19/179094919.db2.gz QBVNQVFSVRLLGK-UHFFFAOYSA-N 1 0 287.411 2.014 10 0 CEAERO CC(C)c1nc2c(n1C1CCC(O)CC1)CC[NH2+]C2 ZINC000085569081 179096134 /nfs/dbraw/zinc/09/61/34/179096134.db2.gz JEGYTASPYOFNLZ-UHFFFAOYSA-N 1 0 263.385 2.128 10 0 CEAERO FC(F)(F)CCn1c2c(nc1C1CC1)C[NH2+]CC2 ZINC000085572233 179097036 /nfs/dbraw/zinc/09/70/36/179097036.db2.gz OMWLECXITPIWED-UHFFFAOYSA-N 1 0 259.275 2.359 10 0 CEAERO C[C@@H]1CC[NH2+][C@@](C)(C2CC2)CN1Cc1ccncc1 ZINC000085623928 179106782 /nfs/dbraw/zinc/10/67/82/179106782.db2.gz KMSHHMCYDVKXNY-CZUORRHYSA-N 1 0 259.397 2.434 10 0 CEAERO CCC1(CC)CN(Cc2ncccn2)[C@@H](C)CC[NH2+]1 ZINC000085627848 179107036 /nfs/dbraw/zinc/10/70/36/179107036.db2.gz RHXOGAVUMPCFPK-ZDUSSCGKSA-N 1 0 262.401 2.219 10 0 CEAERO COc1ccc(CN2CCC[NH2+]C(C)(C)C2)cc1OC ZINC000085611564 179102136 /nfs/dbraw/zinc/10/21/36/179102136.db2.gz KIYFSFVPTBKWPD-UHFFFAOYSA-N 1 0 278.396 2.278 10 0 CEAERO Cc1sc2nc(C)nc(N3C[C@@H](C)[C@@H]([NH3+])C3)c2c1C ZINC000261624201 282483657 /nfs/dbraw/zinc/48/36/57/282483657.db2.gz VATAIXYXNBKDCW-HQJQHLMTSA-N 1 0 276.409 2.400 10 0 CEAERO COc1ccc(CN2CCC[NH2+]C(C)(C)C2)cc1F ZINC000085611762 179102396 /nfs/dbraw/zinc/10/23/96/179102396.db2.gz AWUPGQJUBIAVJW-UHFFFAOYSA-N 1 0 266.360 2.408 10 0 CEAERO COCCC[N@@H+]1CCCN[C@@](C)(c2ccccc2)C1 ZINC000085615468 179103926 /nfs/dbraw/zinc/10/39/26/179103926.db2.gz COSQUNLRJOMIOA-MRXNPFEDSA-N 1 0 262.397 2.234 10 0 CEAERO C1C[C@@H](N2CCC[NH2+][C@H](C3CCCCC3)C2)CO1 ZINC000085615178 179104084 /nfs/dbraw/zinc/10/40/84/179104084.db2.gz VCHILZPFKLQKLS-CABCVRRESA-N 1 0 252.402 2.020 10 0 CEAERO COc1c(C)cnc(CN2CCC[NH2+][C@H](C3CC3)C2)c1C ZINC000085615863 179104389 /nfs/dbraw/zinc/10/43/89/179104389.db2.gz UCKGWZTWNKXWRJ-INIZCTEOSA-N 1 0 289.423 2.281 10 0 CEAERO CO[C@H]1CCC[C@H]([N@@H+]2CCCN[C@H](C3CC3)C2)C1 ZINC000085616379 179104789 /nfs/dbraw/zinc/10/47/89/179104789.db2.gz HPELTXITXHJFGJ-KKUMJFAQSA-N 1 0 252.402 2.018 10 0 CEAERO COc1c(C)cnc(CN2C[C@H](C)[NH2+]CC[C@@H]2C)c1C ZINC000085619915 179105366 /nfs/dbraw/zinc/10/53/66/179105366.db2.gz NUOLWGJIKUNPMQ-STQMWFEESA-N 1 0 277.412 2.279 10 0 CEAERO C[C@@H]1CCN[C@@H](Cc2ccccc2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085618978 179105749 /nfs/dbraw/zinc/10/57/49/179105749.db2.gz UGWAJZPRCVCTIA-NJAFHUGGSA-N 1 0 288.435 2.318 10 0 CEAERO CC(C)C[C@H](CO)[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085675266 179112012 /nfs/dbraw/zinc/11/20/12/179112012.db2.gz QSZJNQDQTZSTKF-RQJABVFESA-N 1 0 255.402 2.187 10 0 CEAERO Cc1nccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)n1 ZINC000085674987 179112118 /nfs/dbraw/zinc/11/21/18/179112118.db2.gz LGXYNNLBZXGCGD-MJBXVCDLSA-N 1 0 261.369 2.078 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C)C2)C12CCCC2 ZINC000085680538 179114246 /nfs/dbraw/zinc/11/42/46/179114246.db2.gz CPLDYFLCTIEDNV-MCIONIFRSA-N 1 0 252.402 2.018 10 0 CEAERO CCCCOC[C@H](O)C[NH2+][C@@H]1CC2CCC1CC2 ZINC000336796188 365819923 /nfs/dbraw/zinc/81/99/23/365819923.db2.gz QJAAOFMOYNICPI-NEXFUWMNSA-N 1 0 255.402 2.332 10 0 CEAERO CC(C)C(=O)N1CCC([NH2+][C@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000085634938 179109420 /nfs/dbraw/zinc/10/94/20/179109420.db2.gz SBBFFLNNRYTBDE-ILXRZTDVSA-N 1 0 294.439 2.037 10 0 CEAERO Cc1cc(C2=NO[C@@H](C[NH3+])C2)ccc1Br ZINC000085708770 179123066 /nfs/dbraw/zinc/12/30/66/179123066.db2.gz ZWWFIYBPDJXPDB-SECBINFHSA-N 1 0 269.142 2.209 10 0 CEAERO [NH3+]C[C@H]1CC[C@H](Nc2cncc(Br)c2)C1 ZINC000335579851 212290220 /nfs/dbraw/zinc/29/02/20/212290220.db2.gz JKCJUPBQIOKWMD-WPRPVWTQSA-N 1 0 270.174 2.383 10 0 CEAERO CC(C)(C[NH3+])N1CCN(c2nccc3sccc32)CC1 ZINC000109457153 136555555 /nfs/dbraw/zinc/55/55/55/136555555.db2.gz RGRFLRMJCFVOTP-UHFFFAOYSA-N 1 0 290.436 2.156 10 0 CEAERO CC[NH2+]C[C@@H]1CC[C@H](CN2CCN(C)c3ccccc32)O1 ZINC000111463332 136561871 /nfs/dbraw/zinc/56/18/71/136561871.db2.gz MXVGLZNZNKCYTK-LSDHHAIUSA-N 1 0 289.423 2.100 10 0 CEAERO CC[C@@H]1CN(c2nc3ccccc3cc2CC[NH3+])CCO1 ZINC000111479760 136562720 /nfs/dbraw/zinc/56/27/20/136562720.db2.gz KUGCDUFJZJCTNL-OAHLLOKOSA-N 1 0 285.391 2.351 10 0 CEAERO C[C@@]1(CNc2nc(C3CC3)ns2)CCC[NH2+]C1 ZINC000129287742 365842520 /nfs/dbraw/zinc/84/25/20/365842520.db2.gz GZWXNKGQTSMXIQ-GFCCVEGCSA-N 1 0 252.387 2.217 10 0 CEAERO C[C@@]1(CNc2ncnc3sccc32)CCC[NH2+]C1 ZINC000129416061 365856373 /nfs/dbraw/zinc/85/63/73/365856373.db2.gz YKMUGAGNHRBEES-CYBMUJFWSA-N 1 0 262.382 2.493 10 0 CEAERO C[NH2+][C@@H](Cc1cc(Br)cs1)CN(C)C ZINC000085798790 179172640 /nfs/dbraw/zinc/17/26/40/179172640.db2.gz YGZQWQWFCPYPQI-VIFPVBQESA-N 1 0 277.231 2.203 10 0 CEAERO C[NH+](C)C[C@@H](O)Cc1cc(Br)ccc1F ZINC000085794273 179173339 /nfs/dbraw/zinc/17/33/39/179173339.db2.gz FCQUQKOSYPHXEC-JTQLQIEISA-N 1 0 276.149 2.053 10 0 CEAERO CCOC(=O)c1ncc(CN2C[C@H]3CCC[C@@H]32)s1 ZINC000602793338 347201057 /nfs/dbraw/zinc/20/10/57/347201057.db2.gz QJJXAESBOZMPPR-KOLCDFICSA-N 1 0 266.366 2.304 10 0 CEAERO CC(C)n1c2ccc(F)cc2nc1[C@]1([NH3+])CCOC1 ZINC000085849541 179187202 /nfs/dbraw/zinc/18/72/02/179187202.db2.gz GQRCZKPBKPFFIC-AWEZNQCLSA-N 1 0 263.316 2.331 10 0 CEAERO [NH3+][C@]1(C(=O)Nc2cc(Cl)ccc2Cl)CCOC1 ZINC000085867074 179192211 /nfs/dbraw/zinc/19/22/11/179192211.db2.gz ABUHASCIARWUTK-LLVKDONJSA-N 1 0 275.135 2.050 10 0 CEAERO COc1ccc(CCC(=O)NC[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000085964552 179205181 /nfs/dbraw/zinc/20/51/81/179205181.db2.gz RMCFQXVWXAJVFA-ZBFHGGJFSA-N 1 0 290.407 2.262 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1CNC(=O)C1(c2ccccc2)CC1 ZINC000085966923 179205874 /nfs/dbraw/zinc/20/58/74/179205874.db2.gz HNIZOMOKIDBKQG-ZFWWWQNUSA-N 1 0 272.392 2.352 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1CNC(=O)c1cc(F)cc(F)c1 ZINC000085966643 179206029 /nfs/dbraw/zinc/20/60/29/179206029.db2.gz UZOWDTCTFZWPAH-TVQRCGJNSA-N 1 0 268.307 2.212 10 0 CEAERO [NH3+]CC[C@H](O)c1cc(Br)c(Br)o1 ZINC000085914325 179197855 /nfs/dbraw/zinc/19/78/55/179197855.db2.gz XFACHKFILLFSMY-YFKPBYRVSA-N 1 0 298.962 2.187 10 0 CEAERO Cc1cccc(-c2oncc2C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000065288918 362808969 /nfs/dbraw/zinc/80/89/69/362808969.db2.gz PGQIFDWZTNHWLE-UHFFFAOYSA-N 1 0 299.374 2.347 10 0 CEAERO CCC[NH2+][C@@H](CCO)CN(C)[C@@H]1CCCC[C@@H]1C ZINC000085922396 179201536 /nfs/dbraw/zinc/20/15/36/179201536.db2.gz LWZLTJFVOZVRPZ-SOUVJXGZSA-N 1 0 256.434 2.248 10 0 CEAERO CC[NH2+][C@@H](CCO)COc1ccc(Cl)c(C)c1 ZINC000085926827 179202100 /nfs/dbraw/zinc/20/21/00/179202100.db2.gz RLHOSRCJUJGYMI-NSHDSACASA-N 1 0 257.761 2.388 10 0 CEAERO C[NH2+][C@H](CCO)CSc1ccc2c(c1)CCC2 ZINC000085929080 179202718 /nfs/dbraw/zinc/20/27/18/179202718.db2.gz XGJATKBZSUNWNB-CYBMUJFWSA-N 1 0 251.395 2.238 10 0 CEAERO CC(C)Cc1ccc([C@H]([NH3+])[C@H]2CCS(=O)(=O)C2)cc1 ZINC000086020034 179217763 /nfs/dbraw/zinc/21/77/63/179217763.db2.gz IAQWRDAWBZFLLY-GJZGRUSLSA-N 1 0 281.421 2.320 10 0 CEAERO O=C(C[NH2+]C[C@H]1CCCC[C@@H]1O)Nc1ccccc1Cl ZINC000085987653 179212783 /nfs/dbraw/zinc/21/27/83/179212783.db2.gz MBFQPYVHJFASJF-RISCZKNCSA-N 1 0 296.798 2.419 10 0 CEAERO CC[NH2+][C@@H]1CC[C@H](Sc2n[nH]c(=O)n2C(C)C)[C@@H]1C ZINC000086045583 179222707 /nfs/dbraw/zinc/22/27/07/179222707.db2.gz QQPHZEYJVNMXNJ-MXWKQRLJSA-N 1 0 284.429 2.021 10 0 CEAERO CCC[NH2+][C@@H]1CC[C@@H](Sc2n[nH]c(=O)n2CCC)[C@@H]1C ZINC000086045558 179222862 /nfs/dbraw/zinc/22/28/62/179222862.db2.gz NFDCAPBQELIXMO-IJLUTSLNSA-N 1 0 298.456 2.240 10 0 CEAERO CCCc1cc(=O)[nH]c(S[C@@H]2CC[C@@H]([NH2+]C)[C@@H]2C)n1 ZINC000086044560 179222984 /nfs/dbraw/zinc/22/29/84/179222984.db2.gz WLUJFIWNRFNRJP-MVWJERBFSA-N 1 0 281.425 2.201 10 0 CEAERO C[NH2+][C@H]1CC[C@H](Sc2nnc3ccccn32)[C@@H]1C ZINC000086045765 179223229 /nfs/dbraw/zinc/22/32/29/179223229.db2.gz DDZHQHNCBNCMBG-VWYCJHECSA-N 1 0 262.382 2.208 10 0 CEAERO C[C@H]1[C@H]([NH2+]Cc2cc(C(N)=O)ccc2F)CC[C@@H]1C ZINC000086077837 179225659 /nfs/dbraw/zinc/22/56/59/179225659.db2.gz YVVWKCNDEIPMMI-IMSIIYSGSA-N 1 0 264.344 2.449 10 0 CEAERO C[C@@H]1[C@@H](C)CC[C@@H]1[NH2+]CC(=O)N1CCCCCC1 ZINC000086077843 179225834 /nfs/dbraw/zinc/22/58/34/179225834.db2.gz BANZTYWBNYZFEF-MJBXVCDLSA-N 1 0 252.402 2.413 10 0 CEAERO [NH3+][C@@H](Cc1ccc2ccccc2c1)[C@H]1CCS(=O)(=O)C1 ZINC000086025119 179219405 /nfs/dbraw/zinc/21/94/05/179219405.db2.gz MSHGHLGSFHIFAG-HOTGVXAUSA-N 1 0 289.400 2.144 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CC[C@@H]1S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000086040980 179221925 /nfs/dbraw/zinc/22/19/25/179221925.db2.gz GCJNWQYRMLPABG-ONERCXAPSA-N 1 0 279.405 2.075 10 0 CEAERO CC[NH2+][C@H]1CC[C@@H](S(=O)(=O)c2cccc(OC)c2)[C@@H]1C ZINC000086040813 179222366 /nfs/dbraw/zinc/22/23/66/179222366.db2.gz IBJINLOTFHRXHN-BYCMXARLSA-N 1 0 297.420 2.246 10 0 CEAERO CC[C@@H]1CC[C@@H](n2nnnc2C[NH2+]C(C)C)[C@@H]1C ZINC000086107329 179230682 /nfs/dbraw/zinc/23/06/82/179230682.db2.gz IGBKZRBPJPXATM-IJLUTSLNSA-N 1 0 251.378 2.168 10 0 CEAERO CCC[NH2+]Cc1nnnn1[C@H]1CC[C@@H](CC)[C@@H]1C ZINC000086107371 179230968 /nfs/dbraw/zinc/23/09/68/179230968.db2.gz AICJUUMJAIMKPX-TUAOUCFPSA-N 1 0 251.378 2.170 10 0 CEAERO C[C@H]([C@H]1CCCO1)[N@@H+]1CCN[C@H](c2ccccc2)C1 ZINC000086127813 179235342 /nfs/dbraw/zinc/23/53/42/179235342.db2.gz JCFYLTIBBDXRPN-VNQPRFMTSA-N 1 0 260.381 2.200 10 0 CEAERO C[C@H]([C@H]1CCCO1)[N@@H+]1CCN[C@@](C)(c2ccccc2)C1 ZINC000086127731 179235549 /nfs/dbraw/zinc/23/55/49/179235549.db2.gz QZSYZHYYROKBPN-DJIMGWMZSA-N 1 0 274.408 2.375 10 0 CEAERO C[C@H]([C@H]1CCCO1)N1CC[NH2+][C@H](C2CCCCC2)C1 ZINC000086127788 179235605 /nfs/dbraw/zinc/23/56/05/179235605.db2.gz NOPBQGGOKGUKFS-VNQPRFMTSA-N 1 0 266.429 2.408 10 0 CEAERO CC[C@@H]1CC[C@@H](NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)[C@@H]1C ZINC000086094223 179228703 /nfs/dbraw/zinc/22/87/03/179228703.db2.gz ZQZSAEVCJLFUHF-UZWSLXQKSA-N 1 0 292.345 2.469 10 0 CEAERO CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OCC(N)=O)cc2)[C@@H]1C ZINC000086083716 179228869 /nfs/dbraw/zinc/22/88/69/179228869.db2.gz SUTVYQVDGQVWGB-XNRPHZJLSA-N 1 0 290.407 2.465 10 0 CEAERO COc1ccc(CN2CC[NH2+][C@@](C)(C3CC3)C2)c(OC)c1 ZINC000086149334 179240607 /nfs/dbraw/zinc/24/06/07/179240607.db2.gz SAAJOIBDZQZSPM-QGZVFWFLSA-N 1 0 290.407 2.278 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(CCOC2CCCC2)CC[NH2+]1 ZINC000086149491 179240692 /nfs/dbraw/zinc/24/06/92/179240692.db2.gz COTDFFAMIAKGPB-HIFRSBDPSA-N 1 0 254.418 2.266 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@@H](C)CN1CCOC1CCCC1 ZINC000086175841 179245336 /nfs/dbraw/zinc/24/53/36/179245336.db2.gz VEKJVDTWGJYSAF-ZFWWWQNUSA-N 1 0 254.418 2.264 10 0 CEAERO Cc1nccc(CN2C[C@@H](C)[NH2+]C[C@@H]2c2ccccc2)n1 ZINC000086174014 179245949 /nfs/dbraw/zinc/24/59/49/179245949.db2.gz LAMDYMQAWMKKDO-CXAGYDPISA-N 1 0 282.391 2.320 10 0 CEAERO CC(C)[C@H]1CN([C@@H]2COc3ccccc32)[C@@H](C)C[NH2+]1 ZINC000086176279 179246226 /nfs/dbraw/zinc/24/62/26/179246226.db2.gz WFGARTCPKLJBMX-NWANDNLSSA-N 1 0 260.381 2.438 10 0 CEAERO CO[C@@H]1CCC[C@@H]1N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000086177636 179246716 /nfs/dbraw/zinc/24/67/16/179246716.db2.gz LNRYEPXNFBHWHJ-ARFHVFGLSA-N 1 0 260.381 2.200 10 0 CEAERO CO[C@H]1CCC[C@H]1N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000086177639 179247038 /nfs/dbraw/zinc/24/70/38/179247038.db2.gz LNRYEPXNFBHWHJ-OAGGEKHMSA-N 1 0 260.381 2.200 10 0 CEAERO Cn1cc([C@@H]2CC[N@H+](Cc3cnn(C(C)(C)C)c3)C2)cn1 ZINC000128546488 187376855 /nfs/dbraw/zinc/37/68/55/187376855.db2.gz ZMNGXXBERLFRNX-CQSZACIVSA-N 1 0 287.411 2.361 10 0 CEAERO C[C@@H](Cc1ccc(F)cc1)N1CC[NH2+]C(C)(C)C1 ZINC000086148459 179239484 /nfs/dbraw/zinc/23/94/84/179239484.db2.gz UHNUMZHNFWDHGW-LBPRGKRZSA-N 1 0 250.361 2.441 10 0 CEAERO C[C@@H]1C[NH2+][C@H](C2CC2)CN1CCc1ccc(F)cc1 ZINC000086180933 179248131 /nfs/dbraw/zinc/24/81/31/179248131.db2.gz FWHFKQDAJJZSLB-WBMJQRKESA-N 1 0 262.372 2.441 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C2CC2)CN1CCc1ccncc1 ZINC000086223331 179252122 /nfs/dbraw/zinc/25/21/22/179252122.db2.gz UQFBJGGCEWQPEC-JKSUJKDBSA-N 1 0 259.397 2.087 10 0 CEAERO Cc1ccc([C@H](C)NC[C@@H](O)C[N@H+](C)C2CC2)cc1F ZINC000336829509 365892632 /nfs/dbraw/zinc/89/26/32/365892632.db2.gz ASYOMNODPGXBOK-SWLSCSKDSA-N 1 0 280.387 2.240 10 0 CEAERO CC[C@@H]1C[NH2+]C(C)(C)CN1Cc1cnc(C)s1 ZINC000086226788 179253886 /nfs/dbraw/zinc/25/38/86/179253886.db2.gz RBXJFQBWXKJXDB-LLVKDONJSA-N 1 0 253.415 2.414 10 0 CEAERO CC(C)(O)CCOc1ccc(C[NH3+])cc1Br ZINC000086234439 179254478 /nfs/dbraw/zinc/25/44/78/179254478.db2.gz UGDNXVWHPCRLDM-UHFFFAOYSA-N 1 0 288.185 2.448 10 0 CEAERO CC[C@@H]1CN[C@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCCOC1 ZINC000086260079 179259028 /nfs/dbraw/zinc/25/90/28/179259028.db2.gz GQHDPSWRQAVURN-IMJJTQAJSA-N 1 0 266.429 2.266 10 0 CEAERO COC[C@H](C)C[N@@H+]1C[C@](C)(C2CC2)NC[C@@H]1C(C)C ZINC000086260928 179259717 /nfs/dbraw/zinc/25/97/17/179259717.db2.gz IEWSTXQSNMESKH-FVQBIDKESA-N 1 0 268.445 2.367 10 0 CEAERO CC[C@@H]1CN[C@@](C)(CC)C[N@@H+]1[C@@H]1CCC[C@@H]1OC ZINC000086261357 179259988 /nfs/dbraw/zinc/25/99/88/179259988.db2.gz JBFDCTUIJSLFOV-KBXIAJHMSA-N 1 0 254.418 2.406 10 0 CEAERO Cc1cccc(CN2C[C@@](C)(C3CC3)[NH2+]C[C@@H]2C)n1 ZINC000086261729 179260461 /nfs/dbraw/zinc/26/04/61/179260461.db2.gz NTZJFSXXHQGUBU-BBRMVZONSA-N 1 0 259.397 2.352 10 0 CEAERO C[C@H]1C[NH2+][C@](C)(C2CC2)CN1C[C@@H]1Cc2ccccc2O1 ZINC000086261672 179260490 /nfs/dbraw/zinc/26/04/90/179260490.db2.gz ZMFVYWTZGFDKNV-OWQGQXMQSA-N 1 0 286.419 2.453 10 0 CEAERO CC[C@H]1CN(C[C@@H]2Cc3ccccc3O2)[C@@H](CC)C[NH2+]1 ZINC000086261706 179260590 /nfs/dbraw/zinc/26/05/90/179260590.db2.gz IKLRVCXICREFQC-JYJNAYRXSA-N 1 0 274.408 2.453 10 0 CEAERO COc1cc(CN2CC3(CCCC3)[NH2+]C[C@H]2C)ccn1 ZINC000086263859 179261101 /nfs/dbraw/zinc/26/11/01/179261101.db2.gz GOSRYKOWSJHZIG-CYBMUJFWSA-N 1 0 275.396 2.197 10 0 CEAERO CC[C@@]1(C)C[N@H+]([C@@H]2CCCOC2)[C@H](C(C)C)CN1 ZINC000086265158 179261769 /nfs/dbraw/zinc/26/17/69/179261769.db2.gz XXFMPIMACHXZTE-ILXRZTDVSA-N 1 0 254.418 2.264 10 0 CEAERO COc1ccc(CCN2CCC[NH2+]C(C)(C)C2)cc1OC ZINC000086269751 179261825 /nfs/dbraw/zinc/26/18/25/179261825.db2.gz VAZFYWUMZRRJCI-UHFFFAOYSA-N 1 0 292.423 2.320 10 0 CEAERO COc1ccc(CN2CC(C)(C)[NH2+]C[C@H]2C)c(OC)c1 ZINC000086265269 179261843 /nfs/dbraw/zinc/26/18/43/179261843.db2.gz NIJYOQQUNUNLFF-GFCCVEGCSA-N 1 0 278.396 2.276 10 0 CEAERO CCC[C@H]1C[N@H+]([C@@H]2CCCOC2)[C@H](C(C)C)CN1 ZINC000086265250 179261940 /nfs/dbraw/zinc/26/19/40/179261940.db2.gz VCJJEPYGEPEEGD-ZNMIVQPWSA-N 1 0 254.418 2.264 10 0 CEAERO CSCC[N@@H+]1C[C@@](C)(C2CC2)NC[C@@H]1C(C)C ZINC000086266188 179262063 /nfs/dbraw/zinc/26/20/63/179262063.db2.gz XANHXLHNHUGAGF-KGLIPLIRSA-N 1 0 256.459 2.448 10 0 CEAERO CC(C)C[C@@H]1CN(CCc2cscn2)[C@@H](C)C[NH2+]1 ZINC000086265584 179262536 /nfs/dbraw/zinc/26/25/36/179262536.db2.gz VGDMNSPGTQNLMA-GXTWGEPZSA-N 1 0 267.442 2.394 10 0 CEAERO CCn1cc(N2CCC[NH2+]C(CC)(CC)C2)cn1 ZINC000086287207 179264248 /nfs/dbraw/zinc/26/42/48/179264248.db2.gz RLFGPUKPEPZVEH-UHFFFAOYSA-N 1 0 250.390 2.262 10 0 CEAERO Cc1nc(CN2CCC[NH2+][C@](C)(C3CC3)C2)cs1 ZINC000086290005 179264505 /nfs/dbraw/zinc/26/45/05/179264505.db2.gz NWIQLTDXFKHMMX-AWEZNQCLSA-N 1 0 265.426 2.416 10 0 CEAERO CC(C)[NH2+]CCNc1nc(Br)cs1 ZINC000086290697 179265661 /nfs/dbraw/zinc/26/56/61/179265661.db2.gz UPXTVCLTCNYEOY-UHFFFAOYSA-N 1 0 264.192 2.316 10 0 CEAERO CC(C)[NH2+]CCOc1nc(Br)cs1 ZINC000086291670 179266221 /nfs/dbraw/zinc/26/62/21/179266221.db2.gz BPDJEQFYUXHLMP-UHFFFAOYSA-N 1 0 265.176 2.282 10 0 CEAERO CC[C@@H](C)[C@H]1CN(Cc2ccc(OC)nc2)CCC[NH2+]1 ZINC000086296390 179267468 /nfs/dbraw/zinc/26/74/68/179267468.db2.gz NYVCRXNCUHQWEM-UKRRQHHQSA-N 1 0 277.412 2.300 10 0 CEAERO COc1ccc(CN2CCC[NH2+][C@@H](CC(C)C)C2)cn1 ZINC000086296399 179267631 /nfs/dbraw/zinc/26/76/31/179267631.db2.gz YGISMZNBJBCHLD-HNNXBMFYSA-N 1 0 277.412 2.300 10 0 CEAERO CC(C)C[C@H]1CN(CCc2cscn2)CCC[NH2+]1 ZINC000086297904 179268594 /nfs/dbraw/zinc/26/85/94/179268594.db2.gz YTJWSAOKYOKQNV-AWEZNQCLSA-N 1 0 267.442 2.396 10 0 CEAERO CC[C@@H]1CN(CCOC2CCCCC2)CCC[NH2+]1 ZINC000086298076 179268623 /nfs/dbraw/zinc/26/86/23/179268623.db2.gz NYFJQXLMMQSOBW-CQSZACIVSA-N 1 0 254.418 2.410 10 0 CEAERO [NH3+]Cc1cc(NC(=O)c2ccncc2F)ccc1F ZINC000086315847 179268777 /nfs/dbraw/zinc/26/87/77/179268777.db2.gz QGGMSPDZBBBREV-UHFFFAOYSA-N 1 0 263.247 2.071 10 0 CEAERO C[NH2+][C@H]1CCCc2sc(N(C)CCCOC)nc21 ZINC000086444030 179293858 /nfs/dbraw/zinc/29/38/58/179293858.db2.gz VTAPHGCRDBPNKE-JTQLQIEISA-N 1 0 269.414 2.213 10 0 CEAERO C[NH2+][C@@H]1CCCc2sc(N3CCN(C4CC4)CC3)nc21 ZINC000086443919 179293989 /nfs/dbraw/zinc/29/39/89/179293989.db2.gz PFWUCQKIHYNLPC-GFCCVEGCSA-N 1 0 292.452 2.024 10 0 CEAERO CC[C@@H]1CN(C(=O)Cc2cccc(F)c2)[C@@H](CC)C[NH2+]1 ZINC000086446335 179294573 /nfs/dbraw/zinc/29/45/73/179294573.db2.gz SVOIOBMFOQNCOY-CABCVRRESA-N 1 0 278.371 2.357 10 0 CEAERO CC[C@@H]1CN(C(=O)Cc2ccc(F)cc2)[C@@H](CC)C[NH2+]1 ZINC000086446308 179294938 /nfs/dbraw/zinc/29/49/38/179294938.db2.gz BBOBTGVMMXXEST-CABCVRRESA-N 1 0 278.371 2.357 10 0 CEAERO CC[C@H]1CN(C(=O)NC2CCCCC2)[C@@H](CC)C[NH2+]1 ZINC000086448229 179295593 /nfs/dbraw/zinc/29/55/93/179295593.db2.gz PTFOLWMJKJVOJU-JSGCOSHPSA-N 1 0 267.417 2.491 10 0 CEAERO CC[NH2+]C[C@H](C)c1nc([C@@H]2Cc3ccccc32)no1 ZINC000086486289 179301645 /nfs/dbraw/zinc/30/16/45/179301645.db2.gz IQHYSANZFFFGHH-GXFFZTMASA-N 1 0 257.337 2.471 10 0 CEAERO C[NH2+][C@H](Cc1cccnc1N)[C@@H]1Cc2ccccc21 ZINC000086488630 179301964 /nfs/dbraw/zinc/30/19/64/179301964.db2.gz FPWWZOKXLFEAKB-HUUCEWRRSA-N 1 0 253.349 2.134 10 0 CEAERO CNC(=O)[C@@H]1C[C@H](c2cc(C)c(C)cc2C)CC[NH2+]1 ZINC000086492919 179302316 /nfs/dbraw/zinc/30/23/16/179302316.db2.gz UCJGGKQZINJPQW-HIFRSBDPSA-N 1 0 260.381 2.193 10 0 CEAERO CCn1cc(C[C@@H]([NH2+]C)[C@@H]2Cc3ccccc32)cn1 ZINC000086488993 179302643 /nfs/dbraw/zinc/30/26/43/179302643.db2.gz DPJJXISBIYWNCX-HZPDHXFCSA-N 1 0 255.365 2.373 10 0 CEAERO COC(OC)[C@@H]([NH3+])Cc1ccc(F)c(Br)c1 ZINC000086451788 179296509 /nfs/dbraw/zinc/29/65/09/179296509.db2.gz OPTYWUOGGJTSBY-JTQLQIEISA-N 1 0 292.148 2.077 10 0 CEAERO CC[C@@H]1CN(Cc2nc(C)c(C)o2)[C@@H](CC)C[NH2+]1 ZINC000086465282 179297142 /nfs/dbraw/zinc/29/71/42/179297142.db2.gz DFXWETYDELHGQS-OLZOCXBDSA-N 1 0 251.374 2.254 10 0 CEAERO [NH3+][C@@H](Cc1ccccc1)[C@H]1CS(=O)(=O)c2ccccc21 ZINC000086567205 179307810 /nfs/dbraw/zinc/30/78/10/179307810.db2.gz TXDPBCMXCOIZQO-GJZGRUSLSA-N 1 0 287.384 2.128 10 0 CEAERO CCC([NH3+])(CC)[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000086567097 179308085 /nfs/dbraw/zinc/30/80/85/179308085.db2.gz SRUXDTFPPLVTOS-LLVKDONJSA-N 1 0 253.367 2.075 10 0 CEAERO CCN1CCO[C@H](C[NH2+]C)[C@@H]1c1ccc(OC)c(Cl)c1 ZINC000086584974 179309271 /nfs/dbraw/zinc/30/92/71/179309271.db2.gz XXBOHSQXZHHNIL-CABCVRRESA-N 1 0 298.814 2.330 10 0 CEAERO C[C@H](CO)C[NH2+][C@@H](c1ccccc1)c1ccncc1 ZINC000086627944 179313379 /nfs/dbraw/zinc/31/33/79/179313379.db2.gz BYCVAYZNLFNSBZ-BBRMVZONSA-N 1 0 256.349 2.389 10 0 CEAERO C[C@@H](CO)C[NH2+][C@@H](c1ccccc1)c1ccncc1 ZINC000086627947 179313779 /nfs/dbraw/zinc/31/37/79/179313779.db2.gz BYCVAYZNLFNSBZ-CJNGLKHVSA-N 1 0 256.349 2.389 10 0 CEAERO [NH3+][C@@]1(CO)CC[C@@H](Sc2ccc(Cl)cn2)C1 ZINC000086637082 179315156 /nfs/dbraw/zinc/31/51/56/179315156.db2.gz RDEAYEPIQMKLQU-KOLCDFICSA-N 1 0 258.774 2.069 10 0 CEAERO COCC[NH2+]Cc1csc(I)c1 ZINC000086688898 179320510 /nfs/dbraw/zinc/32/05/10/179320510.db2.gz MHDBECFXMDPCAG-UHFFFAOYSA-N 1 0 297.161 2.089 10 0 CEAERO COC[C@H]([NH2+]C[C@@H](O)COC1CCC(C)CC1)C(C)C ZINC000086700321 179321772 /nfs/dbraw/zinc/32/17/72/179321772.db2.gz WTHJEBCBCSZPEF-KNIAUWFNSA-N 1 0 287.444 2.203 10 0 CEAERO Cc1cc(Br)cnc1N(C)C[C@H](C)C[NH3+] ZINC000086706998 179322023 /nfs/dbraw/zinc/32/20/23/179322023.db2.gz YEPRALGYTRJEDG-MRVPVSSYSA-N 1 0 272.190 2.184 10 0 CEAERO CCC[NH2+][C@H](Cc1ccccc1)[C@H]1CN(CC)CCO1 ZINC000086654272 179316658 /nfs/dbraw/zinc/31/66/58/179316658.db2.gz OJIVXIHFRVVDPP-IAGOWNOFSA-N 1 0 276.424 2.318 10 0 CEAERO CS(=O)(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1Cl ZINC000086669940 179317130 /nfs/dbraw/zinc/31/71/30/179317130.db2.gz LDRPQRGTDAMDBW-OLZOCXBDSA-N 1 0 287.812 2.395 10 0 CEAERO CC1CCC([NH2+][C@@H]2CCC[C@H]2S(C)(=O)=O)CC1 ZINC000086670429 179317179 /nfs/dbraw/zinc/31/71/79/179317179.db2.gz SGPLGRGZCABPCE-FIYWTHMPSA-N 1 0 259.415 2.120 10 0 CEAERO C[C@H]([NH2+][C@H]1CCC[C@@H]1S(C)(=O)=O)C1CCCC1 ZINC000086676143 179319064 /nfs/dbraw/zinc/31/90/64/179319064.db2.gz GWJSRPIHBDPGIU-DRZSPHRISA-N 1 0 259.415 2.120 10 0 CEAERO COc1cc([C@H](C)[NH2+][C@H]2CCCOC2)ccc1O ZINC000103953739 185867571 /nfs/dbraw/zinc/86/75/71/185867571.db2.gz BMHGABMJOXCKPU-JQWIXIFHSA-N 1 0 251.326 2.230 10 0 CEAERO CC(C)C[C@H](C)[NH+]1CCC([N@@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000086776241 179329230 /nfs/dbraw/zinc/32/92/30/179329230.db2.gz IMWIQVRXHLDLLZ-DZGCQCFKSA-N 1 0 282.428 2.434 10 0 CEAERO CC[C@H](C)NC(=O)COC1(C[NH3+])CCC(C(C)C)CC1 ZINC000086713490 179322838 /nfs/dbraw/zinc/32/28/38/179322838.db2.gz PRAHEWVBTYEAER-HLIUYOAVSA-N 1 0 284.444 2.461 10 0 CEAERO CC(C)[NH+]1CCC([NH+]2CCC(CCC(=O)[O-])CC2)CC1 ZINC000086756157 179323371 /nfs/dbraw/zinc/32/33/71/179323371.db2.gz XMJQNCSVFXZOQS-UHFFFAOYSA-N 1 0 282.428 2.436 10 0 CEAERO [NH3+]Cc1cnc(-c2ncc(Cl)cc2Cl)nc1 ZINC000086784405 179332406 /nfs/dbraw/zinc/33/24/06/179332406.db2.gz AGFKKFQOYFGVKS-UHFFFAOYSA-N 1 0 255.108 2.304 10 0 CEAERO Cn1cnnc1-c1cccc(N[C@H]2CCC[N@H+](C)CC2)c1 ZINC000086818398 179347734 /nfs/dbraw/zinc/34/77/34/179347734.db2.gz KCEBJUUQKRAJDM-AWEZNQCLSA-N 1 0 285.395 2.378 10 0 CEAERO CCOc1ccc([C@H](C)[NH3+])cc1CN1C(=O)C[C@@H](C)C1=O ZINC000103973992 185872366 /nfs/dbraw/zinc/87/23/66/185872366.db2.gz NRCIGDZJGZTRFM-MNOVXSKESA-N 1 0 290.363 2.000 10 0 CEAERO CCS(=O)(=O)c1ccccc1N[C@@H]1CCC[N@H+](C)CC1 ZINC000086818391 179346729 /nfs/dbraw/zinc/34/67/29/179346729.db2.gz DCJLQQMQDCDZNJ-CYBMUJFWSA-N 1 0 296.436 2.376 10 0 CEAERO C[N@@H+]1CCC[C@H](Nc2cccc(Cn3cncn3)c2)CC1 ZINC000086818779 179346737 /nfs/dbraw/zinc/34/67/37/179346737.db2.gz HKBVAHNZQBCDCR-HNNXBMFYSA-N 1 0 285.395 2.223 10 0 CEAERO CC(C)[N@@H+]1CCC[C@@H](Nc2ccc(C(N)=O)cc2)CC1 ZINC000086835246 179349880 /nfs/dbraw/zinc/34/98/80/179349880.db2.gz YUOFBWXGAKMVKJ-CQSZACIVSA-N 1 0 275.396 2.460 10 0 CEAERO CCN[C@@]1(c2nc(C)cs2)CCC[N@H+](C)CC1 ZINC000086833660 179350486 /nfs/dbraw/zinc/35/04/86/179350486.db2.gz UOHVRMQCHOBFPB-ZDUSSCGKSA-N 1 0 253.415 2.372 10 0 CEAERO CC[C@H](C)[C@H](N[C@@H]1CCC[N@@H+](C(C)C)CC1)C(=O)OC ZINC000086839569 179352209 /nfs/dbraw/zinc/35/22/09/179352209.db2.gz ZPMOGNOFJKWIKG-ZNMIVQPWSA-N 1 0 284.444 2.427 10 0 CEAERO Cc1n[nH]cc1CN[C@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086841957 179352737 /nfs/dbraw/zinc/35/27/37/179352737.db2.gz GIYKAADSBPLMLO-AWEZNQCLSA-N 1 0 250.390 2.071 10 0 CEAERO CC[N@@H+]1CCC[C@](CO)(NCc2cccs2)CC1 ZINC000086868248 179360678 /nfs/dbraw/zinc/36/06/78/179360678.db2.gz FUQFYMMMUQNLKZ-AWEZNQCLSA-N 1 0 268.426 2.075 10 0 CEAERO CCC[N@@H+]1CCC[C@@H]([NH+]2CCC(C(=O)[O-])CC2)CC1 ZINC000086868580 179361029 /nfs/dbraw/zinc/36/10/29/179361029.db2.gz YQMAZLFDLGSGKX-CQSZACIVSA-N 1 0 268.401 2.048 10 0 CEAERO CCC[C@@](C)([NH2+][C@@H]1CCC[N@H+](CC)CC1)C(=O)[O-] ZINC000086868639 179361805 /nfs/dbraw/zinc/36/18/05/179361805.db2.gz JSZHDUFNWNITQX-TZMCWYRMSA-N 1 0 256.390 2.094 10 0 CEAERO CC[N@H+](C[C@@H](C)C(=O)[O-])[C@@H]1CCC[NH+](C(C)C)CC1 ZINC000086868947 179362747 /nfs/dbraw/zinc/36/27/47/179362747.db2.gz NVYULFRZBYXFEY-ZIAGYGMSSA-N 1 0 270.417 2.292 10 0 CEAERO CC(C)[N@@H+]1CCC[C@@](Nc2ccccc2F)(C(N)=O)CC1 ZINC000086849501 179358534 /nfs/dbraw/zinc/35/85/34/179358534.db2.gz LVYLYKYKASGYNA-INIZCTEOSA-N 1 0 293.386 2.356 10 0 CEAERO COC(=O)C[C@@](C)([NH3+])c1cccc(Br)c1 ZINC000086851383 179359122 /nfs/dbraw/zinc/35/91/22/179359122.db2.gz UHIZITNIIWWFHB-LLVKDONJSA-N 1 0 272.142 2.186 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH3+])Cc1ccc(Cl)cc1 ZINC000086978606 179372498 /nfs/dbraw/zinc/37/24/98/179372498.db2.gz UIWWVYKRKOWXIV-CYBMUJFWSA-N 1 0 289.828 2.425 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH2+]C)c1cc(F)cc(F)c1 ZINC000086979098 179372523 /nfs/dbraw/zinc/37/25/23/179372523.db2.gz LTYLJRRIPHLCEL-CYBMUJFWSA-N 1 0 291.363 2.440 10 0 CEAERO CCOC1CCN([C@@H](C[NH3+])c2ccc(OC)c(F)c2)CC1 ZINC000086983662 179373795 /nfs/dbraw/zinc/37/37/95/179373795.db2.gz VOYPHGJDZHFEBY-HNNXBMFYSA-N 1 0 296.386 2.335 10 0 CEAERO COCC(=O)N1CCC([NH2+][C@@H]2CCC[C@H](C)CC2)CC1 ZINC000086887310 179366425 /nfs/dbraw/zinc/36/64/25/179366425.db2.gz QRLXLDLGLLDTEO-UONOGXRCSA-N 1 0 282.428 2.182 10 0 CEAERO C[C@H]1CCC[C@@](C[NH3+])(N(C)Cc2nccn2C)CC1 ZINC000086891362 179366516 /nfs/dbraw/zinc/36/65/16/179366516.db2.gz GGXAYXQRJJEZGX-DZGCQCFKSA-N 1 0 264.417 2.150 10 0 CEAERO Nc1ncc(Cl)cc1[C@H]([NH3+])[C@H]1CSCCS1 ZINC000086983844 179373654 /nfs/dbraw/zinc/37/36/54/179373654.db2.gz DLYIBLNJKWHZTL-BDAKNGLRSA-N 1 0 275.830 2.166 10 0 CEAERO CC(C)[C@@H]1CCC[C@H]([NH2+]CCS(C)(=O)=O)CC1 ZINC000086943837 179367610 /nfs/dbraw/zinc/36/76/10/179367610.db2.gz UZRARYXEQCJTJJ-OLZOCXBDSA-N 1 0 261.431 2.226 10 0 CEAERO CCC[C@@H]1CCC[C@@](CO)([NH+]2CCNCC2)CC1 ZINC000086952226 179368868 /nfs/dbraw/zinc/36/88/68/179368868.db2.gz LCHBFPHFMSTGPM-HUUCEWRRSA-N 1 0 254.418 2.003 10 0 CEAERO CCC[NH2+]Cc1cccc(OCCCS(=O)(=O)CC)c1 ZINC000086972757 179371273 /nfs/dbraw/zinc/37/12/73/179371273.db2.gz MBQMVAJVKORZHP-UHFFFAOYSA-N 1 0 299.436 2.390 10 0 CEAERO CCS(=O)(=O)CCC[C@@](C)([NH3+])c1cccc(F)c1 ZINC000086977340 179371821 /nfs/dbraw/zinc/37/18/21/179371821.db2.gz HONYPPWJMWTMKZ-CYBMUJFWSA-N 1 0 273.373 2.215 10 0 CEAERO CCS(=O)(=O)CCC[C@H]1CCc2ccccc2[C@H]1[NH3+] ZINC000086976349 179371981 /nfs/dbraw/zinc/37/19/81/179371981.db2.gz YVKVMKWMZROOAE-ZFWWWQNUSA-N 1 0 281.421 2.464 10 0 CEAERO CCS(=O)(=O)CCC[N@H+](Cc1cccc(N)c1)C(C)C ZINC000086975588 179372038 /nfs/dbraw/zinc/37/20/38/179372038.db2.gz HHCJDTWZXXVQRN-UHFFFAOYSA-N 1 0 298.452 2.304 10 0 CEAERO Cc1csc2nc(C)c(C[NH2+]CC3(O)CCCC3)n12 ZINC000087016405 179380345 /nfs/dbraw/zinc/38/03/45/179380345.db2.gz ZOCPXZPLQDUCCF-UHFFFAOYSA-N 1 0 279.409 2.407 10 0 CEAERO CC[C@](C)(O)C[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000087027796 179381619 /nfs/dbraw/zinc/38/16/19/179381619.db2.gz WEVHGMMCKWAWHW-STQMWFEESA-N 1 0 291.313 2.489 10 0 CEAERO CC[NH2+]Cc1ccnc([C@@H]2CSCCS2)n1 ZINC000086985369 179374139 /nfs/dbraw/zinc/37/41/39/179374139.db2.gz DFURRWLPLVOOFN-JTQLQIEISA-N 1 0 255.412 2.107 10 0 CEAERO C[NH2+][C@H](CCc1ccsc1)[C@H]1CSCCO1 ZINC000086988809 179374430 /nfs/dbraw/zinc/37/44/30/179374430.db2.gz PGJIIZHOXCEVTD-VXGBXAGGSA-N 1 0 257.424 2.401 10 0 CEAERO COc1ccc([C@@H](C[NH3+])N(C)CC2CCOCC2)cc1F ZINC000086992324 179375514 /nfs/dbraw/zinc/37/55/14/179375514.db2.gz DLDYYMDPRVVVPK-OAHLLOKOSA-N 1 0 296.386 2.193 10 0 CEAERO C[C@H]1CCC[C@@H](CNC(=O)c2c(F)cc(F)cc2F)[NH2+]1 ZINC000086996407 179376884 /nfs/dbraw/zinc/37/68/84/179376884.db2.gz TWJAUMVVVMVHTH-WPRPVWTQSA-N 1 0 286.297 2.364 10 0 CEAERO CCCCCCOC[C@H](O)C[NH2+]CC(O)(CC)CC ZINC000087028366 179381947 /nfs/dbraw/zinc/38/19/47/179381947.db2.gz HDZFGTHVUAJRAK-CQSZACIVSA-N 1 0 275.433 2.085 10 0 CEAERO CC1CCC(O)(C[NH2+]C[C@H](O)c2cccs2)CC1 ZINC000087061772 179389313 /nfs/dbraw/zinc/38/93/13/179389313.db2.gz RFNQEOSTZLUFDW-LXVYMNJGSA-N 1 0 269.410 2.312 10 0 CEAERO CC1CCC(O)(C[NH2+][C@H]2COc3cc(O)ccc32)CC1 ZINC000087043987 179387870 /nfs/dbraw/zinc/38/78/70/179387870.db2.gz PXXDUYZULGCUOB-WMEQCIOUSA-N 1 0 277.364 2.357 10 0 CEAERO CN1CCCC[C@H]1C[NH2+]CC1(O)CCC(C)(C)CC1 ZINC000087047937 179388187 /nfs/dbraw/zinc/38/81/87/179388187.db2.gz OMZNNIZLFWMIJB-AWEZNQCLSA-N 1 0 268.445 2.392 10 0 CEAERO Cc1ccc(Cl)cc1NC(=O)C[NH2+]CC1(O)CCCC1 ZINC000087028938 179382456 /nfs/dbraw/zinc/38/24/56/179382456.db2.gz YMOHANAHZRGDGO-UHFFFAOYSA-N 1 0 296.798 2.482 10 0 CEAERO CC(C)CCCOC[C@H](O)C[NH2+]CC1(O)CCCCC1 ZINC000087029256 179382498 /nfs/dbraw/zinc/38/24/98/179382498.db2.gz XBLPRJWVLDQDKY-OAHLLOKOSA-N 1 0 287.444 2.085 10 0 CEAERO C[NH2+]Cc1ccc(OCc2cccc(Cl)c2)nn1 ZINC000087095471 179394280 /nfs/dbraw/zinc/39/42/80/179394280.db2.gz WSGKLKWFOGTRGX-UHFFFAOYSA-N 1 0 263.728 2.428 10 0 CEAERO [NH3+]C[C@@H]1CC[C@@H](COCc2ccc(Cl)cc2)O1 ZINC000087096164 179394398 /nfs/dbraw/zinc/39/43/98/179394398.db2.gz ZEKFDLNLGSCYFS-STQMWFEESA-N 1 0 255.745 2.363 10 0 CEAERO CCSCc1noc(-c2sc(C[NH3+])nc2C)n1 ZINC000087105182 179394662 /nfs/dbraw/zinc/39/46/62/179394662.db2.gz RJUILKIXJQNYTB-UHFFFAOYSA-N 1 0 270.383 2.213 10 0 CEAERO CCCSC[C@@H](Cc1ccnc(N)c1)[NH2+]CC ZINC000087107685 179395283 /nfs/dbraw/zinc/39/52/83/179395283.db2.gz ICMRDDQBCWEYJY-GFCCVEGCSA-N 1 0 253.415 2.328 10 0 CEAERO CC(C)N1CCO[C@H](C[NH2+]CC2(O)CCC(C)(C)CC2)C1 ZINC000087063761 179389882 /nfs/dbraw/zinc/38/98/82/179389882.db2.gz KXVZIODVYCDYAB-OAHLLOKOSA-N 1 0 298.471 2.017 10 0 CEAERO CCC1CCC(O)(C[NH2+][C@@H]2CCCC[C@@H]2O)CC1 ZINC000087066030 179390307 /nfs/dbraw/zinc/39/03/07/179390307.db2.gz PXFHRVTZSMFJST-FUUBYGMNSA-N 1 0 255.402 2.211 10 0 CEAERO CCC1CCC(O)(C[NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000087066036 179390434 /nfs/dbraw/zinc/39/04/34/179390434.db2.gz PXFHRVTZSMFJST-PIOWNMBXSA-N 1 0 255.402 2.211 10 0 CEAERO COCC[NH2+]Cc1c(C)nc(CSC(C)C)nc1C ZINC000087114830 179395520 /nfs/dbraw/zinc/39/55/20/179395520.db2.gz RSVQQRGXJWGVTD-UHFFFAOYSA-N 1 0 283.441 2.471 10 0 CEAERO CC[C@H](C)SC[C@@H](CCCS(=O)(=O)CC)[NH2+]C ZINC000087135536 179396736 /nfs/dbraw/zinc/39/67/36/179396736.db2.gz OCEJSMCOMLOGJI-NWDGAFQWSA-N 1 0 281.487 2.321 10 0 CEAERO CC[NH2+][C@@H](COC)Cc1nc(CS[C@H](C)CC)no1 ZINC000087140990 179397263 /nfs/dbraw/zinc/39/72/63/179397263.db2.gz JMNJEOIULWUUEN-GHMZBOCLSA-N 1 0 287.429 2.268 10 0 CEAERO C[N@@H+]1CC[C@@](O)(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000087166276 179398470 /nfs/dbraw/zinc/39/84/70/179398470.db2.gz LXHSBEMNEGDPBY-GFCCVEGCSA-N 1 0 259.271 2.315 10 0 CEAERO Nc1cc(C[C@@H]([NH3+])CSc2ccccc2)ccn1 ZINC000087162087 179398601 /nfs/dbraw/zinc/39/86/01/179398601.db2.gz UUXFGYXZNLFRTP-GFCCVEGCSA-N 1 0 259.378 2.326 10 0 CEAERO O[C@@]1(Cc2cccc(C(F)(F)F)c2)CCC[NH2+]C1 ZINC000087172514 179399080 /nfs/dbraw/zinc/39/90/80/179399080.db2.gz ROGZFNNZXBDXHA-GFCCVEGCSA-N 1 0 259.271 2.362 10 0 CEAERO COc1c(C)cnc(C[C@]2(O)CCC[N@H+](C)CC2)c1C ZINC000087186266 179399679 /nfs/dbraw/zinc/39/96/79/179399679.db2.gz TVCHYGPRQFAALL-INIZCTEOSA-N 1 0 278.396 2.096 10 0 CEAERO CCN(C[C@H](C)C[NH3+])C(=O)c1c(C)oc(C)c1C ZINC000087188238 179399736 /nfs/dbraw/zinc/39/97/36/179399736.db2.gz LEGLEKQUCUOWPZ-SECBINFHSA-N 1 0 252.358 2.262 10 0 CEAERO CC[NH2+][C@H](c1ccc(Br)o1)[C@@H]1COCCO1 ZINC000087284993 179408163 /nfs/dbraw/zinc/40/81/63/179408163.db2.gz ZYJVTRRDPLZXRX-GXSJLCMTSA-N 1 0 290.157 2.108 10 0 CEAERO [NH3+]CCCN(C(=O)C[C@@H]1CCCO1)C1CCCCCC1 ZINC000087203913 179401017 /nfs/dbraw/zinc/40/10/17/179401017.db2.gz KGXBRTYROOUYSM-HNNXBMFYSA-N 1 0 282.428 2.456 10 0 CEAERO COc1ccc([C@H](O)[C@@H](C[NH3+])CC(C)C)cc1F ZINC000087379157 179417584 /nfs/dbraw/zinc/41/75/84/179417584.db2.gz AGZDCRSLCBVAKQ-RISCZKNCSA-N 1 0 255.333 2.489 10 0 CEAERO Cc1nc(N2C[C@@H]3C[C@H]([NH3+])CC[C@@H]3C2)sc1C ZINC000087302886 179410147 /nfs/dbraw/zinc/41/01/47/179410147.db2.gz QYJCCXYSOZQJTP-GRYCIOLGSA-N 1 0 251.399 2.324 10 0 CEAERO CC(C)(C)c1nnsc1C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000087455998 179428166 /nfs/dbraw/zinc/42/81/66/179428166.db2.gz TZDXNSFYQWYFRO-JTQLQIEISA-N 1 0 296.440 2.037 10 0 CEAERO CC[NH2+][C@H](Cc1cnn(CC)c1)c1cccc(C)n1 ZINC000104160081 185914353 /nfs/dbraw/zinc/91/43/53/185914353.db2.gz ZXXPQOJQRJXSSU-OAHLLOKOSA-N 1 0 258.369 2.500 10 0 CEAERO CC[NH2+][C@H]1CCCCC[C@H]1c1nc(-c2ccn(C)n2)no1 ZINC000087426890 179424573 /nfs/dbraw/zinc/42/45/73/179424573.db2.gz RKLXOURLFHOCGP-NEPJUHHUSA-N 1 0 289.383 2.496 10 0 CEAERO CCCc1nsc(N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000087642400 179462656 /nfs/dbraw/zinc/46/26/56/179462656.db2.gz YSZFNPWRXDDLTC-RYUDHWBXSA-N 1 0 280.441 2.459 10 0 CEAERO O[C@@H](c1occc1Br)C1CC[NH2+]CC1 ZINC000087650281 179463779 /nfs/dbraw/zinc/46/37/79/179463779.db2.gz JBFWMMSAJAPEFK-SECBINFHSA-N 1 0 260.131 2.075 10 0 CEAERO [NH3+][C@@H]1CC[C@](O)(Cc2ccccc2Br)C1 ZINC000087654441 179464564 /nfs/dbraw/zinc/46/45/64/179464564.db2.gz KQPRNOGEMWHOJI-PWSUYJOCSA-N 1 0 270.170 2.234 10 0 CEAERO Cc1nccn1CC[C@@H](C)[NH2+]Cc1ccc2nonc2c1 ZINC000067847171 362928263 /nfs/dbraw/zinc/92/82/63/362928263.db2.gz RJFQHBWRMHQZBC-LLVKDONJSA-N 1 0 285.351 2.296 10 0 CEAERO FC(F)(F)COCCC[NH2+]C[C@@H]1CCCS1 ZINC000087668908 179467141 /nfs/dbraw/zinc/46/71/41/179467141.db2.gz YHCQZTWZKHVMSY-VIFPVBQESA-N 1 0 257.321 2.441 10 0 CEAERO CCOC1CCN(C(=O)[C@H](C)CCC[C@@H](C)[NH3+])CC1 ZINC000087698799 179472314 /nfs/dbraw/zinc/47/23/14/179472314.db2.gz KPPQYQVVPFFLQC-CHWSQXEVSA-N 1 0 270.417 2.168 10 0 CEAERO CCC(CC)N(CCO)C(=O)[C@@H](C)CCC[C@H](C)[NH3+] ZINC000087700323 179472688 /nfs/dbraw/zinc/47/26/88/179472688.db2.gz YVICQTQIULJVCQ-STQMWFEESA-N 1 0 272.433 2.150 10 0 CEAERO CC(C)OCCCNC(=O)[C@@H](C)CCC[C@@H](C)[NH3+] ZINC000087699196 179472942 /nfs/dbraw/zinc/47/29/42/179472942.db2.gz UTZJFXOSZVZDTK-QWHCGFSZSA-N 1 0 258.406 2.071 10 0 CEAERO [NH3+]C1(Cc2nc([C@@H]3CCCOC3)no2)CCCCC1 ZINC000087813083 179490243 /nfs/dbraw/zinc/49/02/43/179490243.db2.gz PGIDBWVLXOZVHR-LLVKDONJSA-N 1 0 265.357 2.168 10 0 CEAERO C[NH2+][C@@H](Cc1nc([C@H]2CCCO2)no1)C(C)(C)C ZINC000087803595 179488240 /nfs/dbraw/zinc/48/82/40/179488240.db2.gz PKGDIMNZOUACLA-ZJUUUORDSA-N 1 0 253.346 2.098 10 0 CEAERO CCC[C@@H]1C[C@](CC(=O)OCC)([NH2+]CC)CCO1 ZINC000087549138 179444741 /nfs/dbraw/zinc/44/47/41/179444741.db2.gz PRQYSECYENGPJT-TZMCWYRMSA-N 1 0 257.374 2.267 10 0 CEAERO CCC[NH2+][C@]1(CC(=O)OC)CCO[C@@](C)(CC)C1 ZINC000087552100 179445429 /nfs/dbraw/zinc/44/54/29/179445429.db2.gz ZWBKGGXCXWSUNF-KBPBESRZSA-N 1 0 257.374 2.267 10 0 CEAERO C[NH2+]C1(CC(=O)NCCc2cscn2)CCCCC1 ZINC000087577920 179449001 /nfs/dbraw/zinc/44/90/01/179449001.db2.gz HDLUSPDQFGLIQD-UHFFFAOYSA-N 1 0 281.425 2.114 10 0 CEAERO CCCCN(C)c1cc(NN)[nH+]c(C(C)(C)C)n1 ZINC000087909883 179517290 /nfs/dbraw/zinc/51/72/90/179517290.db2.gz MPKGBDVRMJEACG-UHFFFAOYSA-N 1 0 251.378 2.296 10 0 CEAERO CCc1nc(Sc2nc(C)cs2)cc(NN)[nH+]1 ZINC000087907427 179517601 /nfs/dbraw/zinc/51/76/01/179517601.db2.gz LMEVUCJJSWLIRV-UHFFFAOYSA-N 1 0 267.383 2.241 10 0 CEAERO CC[C@@H]1C[C@@](C[NH3+])(Nc2ccc(OC)cc2)CCO1 ZINC000087910711 179518036 /nfs/dbraw/zinc/51/80/36/179518036.db2.gz KTAQAWOBTGEZQA-HIFRSBDPSA-N 1 0 264.369 2.394 10 0 CEAERO COc1ccccc1N[C@@]1(C[NH3+])CCO[C@H](C)C1 ZINC000087912999 179521702 /nfs/dbraw/zinc/52/17/02/179521702.db2.gz VJJPHZRHPCVGLF-RISCZKNCSA-N 1 0 250.342 2.004 10 0 CEAERO Cn1cc([C@@H](C[NH3+])Nc2ccc(Cl)cc2)cn1 ZINC000087914060 179521784 /nfs/dbraw/zinc/52/17/84/179521784.db2.gz AQKAESNUSZSNQZ-GFCCVEGCSA-N 1 0 250.733 2.185 10 0 CEAERO COc1ccc(Cn2nc(C)c(C)c2C)cc1C[NH3+] ZINC000087826546 179495547 /nfs/dbraw/zinc/49/55/47/179495547.db2.gz XNPCABYVZJMXHT-UHFFFAOYSA-N 1 0 259.353 2.324 10 0 CEAERO COc1ccc(CSc2nccn2C)cc1C(N)=[NH2+] ZINC000087828726 179496306 /nfs/dbraw/zinc/49/63/06/179496306.db2.gz XRLXNWWOCJYCID-UHFFFAOYSA-N 1 0 276.365 2.005 10 0 CEAERO C[C@]1(c2nnc3ccc(Br)cn32)CCC[NH2+]C1 ZINC000087846942 179499762 /nfs/dbraw/zinc/49/97/62/179499762.db2.gz VRTJYEOKEYZCKC-LBPRGKRZSA-N 1 0 295.184 2.133 10 0 CEAERO c1n[nH]cc1[C@H]1CCOCC[N@H+]1Cc1ccccc1 ZINC000616657545 348550410 /nfs/dbraw/zinc/55/04/10/348550410.db2.gz BWZXMSULAUTTHZ-OAHLLOKOSA-N 1 0 257.337 2.373 10 0 CEAERO [NH3+][C@H]1CN(C(=O)C2CCC2)CC[C@@H]1c1cccc(F)c1 ZINC000616569394 348523665 /nfs/dbraw/zinc/52/36/65/348523665.db2.gz IZRVUEVHXQTLPD-CABCVRRESA-N 1 0 276.355 2.269 10 0 CEAERO CC[NH2+][C@H](Cc1ccc2c(c1)CCC2)[C@@H]1COCCO1 ZINC000087858279 179503223 /nfs/dbraw/zinc/50/32/23/179503223.db2.gz ZQZBUWIDYADWQS-SJORKVTESA-N 1 0 275.392 2.111 10 0 CEAERO CC[C@@H]1CC[NH2+]C[C@H]1NC(=O)/C=C/c1ccccc1 ZINC000616572532 348524196 /nfs/dbraw/zinc/52/41/96/348524196.db2.gz WOOZNRTWWFSRDT-VMFRVMOISA-N 1 0 258.365 2.204 10 0 CEAERO C[C@H]1CCCC[C@H]1N(C)c1nc(NN)[nH+]cc1Cl ZINC000087866859 179505634 /nfs/dbraw/zinc/50/56/34/179505634.db2.gz VTOZVAYKPDKYIE-WCBMZHEXSA-N 1 0 269.780 2.431 10 0 CEAERO CCOC(=O)c1cccc([C@H]2CC[N@H+](C)CCO2)c1 ZINC000616592456 348527371 /nfs/dbraw/zinc/52/73/71/348527371.db2.gz ANHOKVVPFDWPSN-CQSZACIVSA-N 1 0 263.337 2.257 10 0 CEAERO CSC[C@@H](C)CNc1nc[nH+]c(NN)c1C(C)C ZINC000087878658 179507516 /nfs/dbraw/zinc/50/75/16/179507516.db2.gz UGDMIUOTWLBDMV-VIFPVBQESA-N 1 0 269.418 2.297 10 0 CEAERO CC(C)([NH3+])C[S@@](=O)Cc1ccc(Br)s1 ZINC000088071762 179544665 /nfs/dbraw/zinc/54/46/65/179544665.db2.gz SLZUTMMPKFOWDN-CQSZACIVSA-N 1 0 296.255 2.497 10 0 CEAERO C[C@H](CC[NH3+])[S@](=O)Cc1ccc(F)cc1Cl ZINC000088087167 179546541 /nfs/dbraw/zinc/54/65/41/179546541.db2.gz CHHCDIREHLMAMF-BCTVWOGZSA-N 1 0 263.765 2.465 10 0 CEAERO COCC[NH2+]C[C@H](CCOCCOC)c1ccccc1 ZINC000088099557 179547071 /nfs/dbraw/zinc/54/70/71/179547071.db2.gz HIIYAPGWCNUGKD-INIZCTEOSA-N 1 0 281.396 2.059 10 0 CEAERO CC[NH2+]Cc1ccn(CCc2ccc(OC)cc2)n1 ZINC000088106706 179549592 /nfs/dbraw/zinc/54/95/92/179549592.db2.gz BRYABOMUSRZRPJ-UHFFFAOYSA-N 1 0 259.353 2.244 10 0 CEAERO CCC[NH2+][C@H](CCc1ccc(OC)cc1)[C@H]1COCCO1 ZINC000088105728 179550197 /nfs/dbraw/zinc/55/01/97/179550197.db2.gz LIZZNQIHQPKSIL-IAGOWNOFSA-N 1 0 293.407 2.411 10 0 CEAERO CC[C@@H](C)[C@H]1CN(CCc2ccc3c(c2)CCO3)CC[NH2+]1 ZINC000088110875 179551175 /nfs/dbraw/zinc/55/11/75/179551175.db2.gz LBFOXRGVMUKQSB-RHSMWYFYSA-N 1 0 288.435 2.484 10 0 CEAERO CCCNC(=O)COc1cccc2c1CCC[C@@H]2[NH2+]C ZINC000088151827 179557904 /nfs/dbraw/zinc/55/79/04/179557904.db2.gz PPCRLJXAUGVAEI-AWEZNQCLSA-N 1 0 276.380 2.188 10 0 CEAERO NC(=[NH2+])c1ccc(NC(=O)NC2CC2)cc1C(F)(F)F ZINC000088191695 179561986 /nfs/dbraw/zinc/56/19/86/179561986.db2.gz YWETXAJTKHPBRK-UHFFFAOYSA-N 1 0 286.257 2.273 10 0 CEAERO c1cc([C@@H]2CC[N@H+](Cc3ccccc3)CCO2)n[nH]1 ZINC000616664989 348554509 /nfs/dbraw/zinc/55/45/09/348554509.db2.gz ZYCGHHFXIZQBND-HNNXBMFYSA-N 1 0 257.337 2.373 10 0 CEAERO C[C@H](C[NH2+]C[C@H]1CCCO1)N(C)CCC(F)(F)F ZINC000088438173 179601250 /nfs/dbraw/zinc/60/12/50/179601250.db2.gz WHZIGVIFXYNOQA-GHMZBOCLSA-N 1 0 268.323 2.028 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@@H]2C[NH2+]C[C@@H](C)C2)cc1 ZINC000088450371 179605818 /nfs/dbraw/zinc/60/58/18/179605818.db2.gz LHVXUGRDZXYDGS-YDHLFZDLSA-N 1 0 260.381 2.418 10 0 CEAERO O[C@@H](C[NH2+]CC(C1CC1)C1CC1)COC1CCCC1 ZINC000088458192 179607931 /nfs/dbraw/zinc/60/79/31/179607931.db2.gz SUFMHWHCAKWUGZ-AWEZNQCLSA-N 1 0 267.413 2.332 10 0 CEAERO C[C@@H](CC[NH3+])CCC(=O)NCC(C1CC1)C1CC1 ZINC000088457082 179608154 /nfs/dbraw/zinc/60/81/54/179608154.db2.gz HIQVBXXXNXTKLW-LLVKDONJSA-N 1 0 252.402 2.304 10 0 CEAERO CC(C)C[C@@H](C[NH3+])CC(=O)NCCc1ccsc1 ZINC000088287407 179574996 /nfs/dbraw/zinc/57/49/96/179574996.db2.gz JDOUMXATYCTWFK-CYBMUJFWSA-N 1 0 268.426 2.418 10 0 CEAERO CCCn1ncnc1C[C@](C)([NH3+])c1cccc(OC)c1 ZINC000088607066 179636441 /nfs/dbraw/zinc/63/64/41/179636441.db2.gz SJEUJYSRDZCRKD-HNNXBMFYSA-N 1 0 274.368 2.113 10 0 CEAERO CCn1ncnc1CC1([NH3+])CCC(C(F)(F)F)CC1 ZINC000088607514 179636785 /nfs/dbraw/zinc/63/67/85/179636785.db2.gz CCZJMPJDGVSFKA-UHFFFAOYSA-N 1 0 276.306 2.291 10 0 CEAERO CC(C)Cn1ncnc1C[C@H]([NH3+])c1ccc(F)c(F)c1 ZINC000088610149 179638081 /nfs/dbraw/zinc/63/80/81/179638081.db2.gz MCRWESJDEXUZMJ-ZDUSSCGKSA-N 1 0 280.322 2.455 10 0 CEAERO CCCn1ncnc1C[C@@H](CS[C@@H](C)CC)[NH2+]C ZINC000088612839 179639859 /nfs/dbraw/zinc/63/98/59/179639859.db2.gz OGRSMODPJCCISO-RYUDHWBXSA-N 1 0 270.446 2.350 10 0 CEAERO CCn1ncnc1C[C@@H]([NH2+]C)[C@H]1CCc2ccccc21 ZINC000088616975 179639970 /nfs/dbraw/zinc/63/99/70/179639970.db2.gz PUUAVKSDBNSYDK-LSDHHAIUSA-N 1 0 270.380 2.159 10 0 CEAERO CC(C)n1ncnc1COc1ccc(C[C@H](C)[NH3+])cc1 ZINC000088617390 179640443 /nfs/dbraw/zinc/64/04/43/179640443.db2.gz GCYWNCKKRMDZQD-LBPRGKRZSA-N 1 0 274.368 2.328 10 0 CEAERO CCn1ncnc1C[C@@H](C[NH2+]C)Cc1ccc(C)cc1 ZINC000088620650 179641391 /nfs/dbraw/zinc/64/13/91/179641391.db2.gz KVBDZWWMNQIDIP-HNNXBMFYSA-N 1 0 272.396 2.227 10 0 CEAERO [NH3+]C1CCC(C(=O)N2CCC[C@@H]3CCC[C@@H]32)CC1 ZINC000087769567 539662462 /nfs/dbraw/zinc/66/24/62/539662462.db2.gz ABRGXLMUICGCFB-ABXWRUBCSA-N 1 0 250.386 2.295 10 0 CEAERO C[C@H]1CC[C@H](C)N(C(=O)c2ccccc2CC[NH3+])C1 ZINC000088705456 179653535 /nfs/dbraw/zinc/65/35/35/179653535.db2.gz KWVLRUYYJDMNKC-STQMWFEESA-N 1 0 260.381 2.448 10 0 CEAERO CCC[NH2+][C@@H](CC)[C@@H](C)c1nc(COCC)no1 ZINC000088739119 179661339 /nfs/dbraw/zinc/66/13/39/179661339.db2.gz GXNWHGFVVYGSDH-MNOVXSKESA-N 1 0 255.362 2.488 10 0 CEAERO CCOCc1nc(C)c(C[NH2+]CC(C)C)c(C)n1 ZINC000088738964 179661386 /nfs/dbraw/zinc/66/13/86/179661386.db2.gz COWUXUDKGUMUGB-UHFFFAOYSA-N 1 0 251.374 2.376 10 0 CEAERO CC[NH+](CC)CCSc1ccc(C(=O)OC)cc1N ZINC000088734445 179661486 /nfs/dbraw/zinc/66/14/86/179661486.db2.gz PCQOCEWULWXNTR-UHFFFAOYSA-N 1 0 282.409 2.489 10 0 CEAERO C[NH2+]Cc1nnc(-c2cccc3ncccc32)s1 ZINC000088813530 179677440 /nfs/dbraw/zinc/67/74/40/179677440.db2.gz DPNIMWVJZBAWCS-UHFFFAOYSA-N 1 0 256.334 2.473 10 0 CEAERO C[NH2+]CCc1nnc(-c2ccc3c(c2)CCC3)s1 ZINC000088822565 179677732 /nfs/dbraw/zinc/67/77/32/179677732.db2.gz UAQCWKQWRCFQPQ-UHFFFAOYSA-N 1 0 259.378 2.456 10 0 CEAERO CC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1CCOC(F)(F)F ZINC000089057484 179695806 /nfs/dbraw/zinc/69/58/06/179695806.db2.gz WYXZZTOLVIOJCW-NEPJUHHUSA-N 1 0 280.334 2.375 10 0 CEAERO CC/C(=C\C[NH+]1CCC(C[NH+]2CCCC2)CC1)C(=O)[O-] ZINC000089076160 179697291 /nfs/dbraw/zinc/69/72/91/179697291.db2.gz KLVDEYYGHUYSHM-VIZOYTHASA-N 1 0 280.412 2.215 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1Nc1nccc(C(F)(F)F)n1 ZINC000089092403 179699553 /nfs/dbraw/zinc/69/95/53/179699553.db2.gz GIYXLZJGPVPQDG-SFYZADRCSA-N 1 0 260.263 2.035 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@H]1N1C(=O)CC2(CCCC2)CC1=O ZINC000089109152 179704295 /nfs/dbraw/zinc/70/42/95/179704295.db2.gz BNUJPWAOPCKILB-CHWSQXEVSA-N 1 0 278.396 2.213 10 0 CEAERO CN(C(=O)c1ccc(OC(F)F)cc1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089110010 179705513 /nfs/dbraw/zinc/70/55/13/179705513.db2.gz MEIAKZYFXGNONO-DGCLKSJQSA-N 1 0 298.333 2.487 10 0 CEAERO CN(C(=O)c1cc(F)cc(F)c1)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089110980 179705977 /nfs/dbraw/zinc/70/59/77/179705977.db2.gz ACVSJLLOGPIYLF-TVQRCGJNSA-N 1 0 268.307 2.164 10 0 CEAERO CC(C)[NH2+]CCCCS(=O)(=O)NC1(C)CCCC1 ZINC000089049222 179693462 /nfs/dbraw/zinc/69/34/62/179693462.db2.gz BZZZTDPOZGDGAV-UHFFFAOYSA-N 1 0 276.446 2.017 10 0 CEAERO COc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000089131918 179713977 /nfs/dbraw/zinc/71/39/77/179713977.db2.gz MJURPFAUYIUSHH-HIFRSBDPSA-N 1 0 276.380 2.285 10 0 CEAERO CC[C@H]1CCCN(c2c(C[C@@H](C)[NH3+])c(C)nn2C)C1 ZINC000104258429 185945739 /nfs/dbraw/zinc/94/57/39/185945739.db2.gz XVVROQCMGCNSET-YPMHNXCESA-N 1 0 264.417 2.245 10 0 CEAERO CCN(C(=O)[C@@H]1COc2ccccc21)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089113757 179708649 /nfs/dbraw/zinc/70/86/49/179708649.db2.gz DZACLTUUCYRYGB-YUELXQCFSA-N 1 0 288.391 2.139 10 0 CEAERO CN(C(=O)c1ccc2c[nH]nc2c1)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089119278 179711242 /nfs/dbraw/zinc/71/12/42/179711242.db2.gz KWTGKZNJASFQDY-IUODEOHRSA-N 1 0 286.379 2.152 10 0 CEAERO Cc1nn(C)c(N(C)c2ccccc2C)c1CC[NH3+] ZINC000104280188 185953537 /nfs/dbraw/zinc/95/35/37/185953537.db2.gz OJYDXPNSAKQHHJ-UHFFFAOYSA-N 1 0 258.369 2.306 10 0 CEAERO COC(=O)c1ccc(C)c(N[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089148428 179724135 /nfs/dbraw/zinc/72/41/35/179724135.db2.gz YVPSAYWQNZHITO-CHWSQXEVSA-N 1 0 262.353 2.321 10 0 CEAERO CCOC(=O)c1cccc(N[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089148074 179724159 /nfs/dbraw/zinc/72/41/59/179724159.db2.gz PWIPZQSOUFXIRP-TZMCWYRMSA-N 1 0 262.353 2.403 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1Nc1ccc2c(c1)CCC(=O)N2 ZINC000089149483 179725421 /nfs/dbraw/zinc/72/54/21/179725421.db2.gz GYKBJHUSEVZTBC-AAEUAGOBSA-N 1 0 259.353 2.111 10 0 CEAERO Cn1nc(COCC[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000089175170 179740404 /nfs/dbraw/zinc/74/04/04/179740404.db2.gz IYYHVQOQGXDINA-CYBMUJFWSA-N 1 0 273.380 2.480 10 0 CEAERO Cc1nc(C[C@@H]([NH3+])Cc2nn(C)c3ccccc23)cs1 ZINC000089177773 179742892 /nfs/dbraw/zinc/74/28/92/179742892.db2.gz WUYUDYBWICIMOX-LLVKDONJSA-N 1 0 286.404 2.451 10 0 CEAERO CCCCN(CC[NH3+])[C@@H](C)C(=O)Nc1ccccc1 ZINC000104305406 185960058 /nfs/dbraw/zinc/96/00/58/185960058.db2.gz FOCRWZWLFCQVTQ-ZDUSSCGKSA-N 1 0 263.385 2.074 10 0 CEAERO CCn1nc(C)cc1C[C@H]([NH3+])c1cccc(OC)c1 ZINC000089192479 179749000 /nfs/dbraw/zinc/74/90/00/179749000.db2.gz VHFXRYXOABTOPP-HNNXBMFYSA-N 1 0 259.353 2.463 10 0 CEAERO Cc1cc(C[C@H]([NH3+])Cc2cc(F)cc(F)c2)n(C)n1 ZINC000089193651 179749881 /nfs/dbraw/zinc/74/98/81/179749881.db2.gz KLHSUWKICWJALP-CYBMUJFWSA-N 1 0 265.307 2.119 10 0 CEAERO Cc1ccc(C(=O)CC[N@H+]2C[C@H](O)C[C@H](C)C2)cc1 ZINC000401917446 233185703 /nfs/dbraw/zinc/18/57/03/233185703.db2.gz UXGAMHPFCBAPOG-DZGCQCFKSA-N 1 0 261.365 2.271 10 0 CEAERO CC[C@@H](C)SC[C@H](Cc1cc(C)nn1C)[NH2+]C ZINC000089198902 179751501 /nfs/dbraw/zinc/75/15/01/179751501.db2.gz DRXYIJBRPPRVBN-NEPJUHHUSA-N 1 0 255.431 2.391 10 0 CEAERO CCN(Cc1ccccc1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089450348 539715968 /nfs/dbraw/zinc/71/59/68/539715968.db2.gz ZMXBSQFKSGQRQF-GJZGRUSLSA-N 1 0 260.381 2.410 10 0 CEAERO Cc1ccc(F)cc1NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089449643 539715997 /nfs/dbraw/zinc/71/59/97/539715997.db2.gz BGZKJIDNZRZARY-PWSUYJOCSA-N 1 0 250.317 2.448 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000089448947 539716223 /nfs/dbraw/zinc/71/62/23/539716223.db2.gz QLZHYZKWXXSPRK-WCQYABFASA-N 1 0 290.363 2.161 10 0 CEAERO CCOc1ccccc1NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089448809 539716386 /nfs/dbraw/zinc/71/63/86/539716386.db2.gz XZQWIRNGGAUGHI-RYUDHWBXSA-N 1 0 262.353 2.399 10 0 CEAERO COCc1cccc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000089451537 539717326 /nfs/dbraw/zinc/71/73/26/539717326.db2.gz WFZZKODCASJZQD-GXTWGEPZSA-N 1 0 262.353 2.147 10 0 CEAERO CCC1CCC(NC(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089460461 539718530 /nfs/dbraw/zinc/71/85/30/539718530.db2.gz QCBDPVALOALBIJ-YIOUJQMASA-N 1 0 252.402 2.446 10 0 CEAERO CCc1cc(CN2C[C@@H](C3CC3)[NH2+]CC2(C)C)n(CC)n1 ZINC000089211123 179755805 /nfs/dbraw/zinc/75/58/05/179755805.db2.gz NNWAQDYUYDLEOV-INIZCTEOSA-N 1 0 290.455 2.428 10 0 CEAERO CCC[C@H]1C[NH2+]CCN1Cc1c(Cl)c(C)nn1CC ZINC000089304587 179767394 /nfs/dbraw/zinc/76/73/94/179767394.db2.gz ARBXPYQQNAZJAU-LBPRGKRZSA-N 1 0 284.835 2.439 10 0 CEAERO CCCOC[C@H](Cc1c(Cl)c(CC)nn1C)[NH2+]C ZINC000089327817 179770071 /nfs/dbraw/zinc/77/00/71/179770071.db2.gz ZIKNZUMFOFBMRN-JTQLQIEISA-N 1 0 273.808 2.193 10 0 CEAERO CCn1nc(C)c(Cl)c1C[C@]1(C[NH2+]C)CCOC1 ZINC000089301378 179766645 /nfs/dbraw/zinc/76/66/45/179766645.db2.gz NVUSWLQXTOMSDT-ZDUSSCGKSA-N 1 0 271.792 2.033 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1c1nc([C@@H]2CCCOC2)no1 ZINC000089383717 179777038 /nfs/dbraw/zinc/77/70/38/179777038.db2.gz WVXOHOXAPLEFMW-TUAOUCFPSA-N 1 0 265.357 2.196 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1C(=O)Nc1cccnc1Cl ZINC000089389357 179778090 /nfs/dbraw/zinc/77/80/90/179778090.db2.gz PFWIGYYKSOVMLB-VHSXEESVSA-N 1 0 267.760 2.439 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@H]2CCC[C@@H]2C[NH3+])o1 ZINC000089452077 179792830 /nfs/dbraw/zinc/79/28/30/179792830.db2.gz WJDIKMNXLZMDKD-TUAOUCFPSA-N 1 0 250.342 2.140 10 0 CEAERO C[C@H](Cc1c(F)cccc1F)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089454733 179793335 /nfs/dbraw/zinc/79/33/35/179793335.db2.gz FQJNOJWMKKRBPE-IJLUTSLNSA-N 1 0 296.361 2.387 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCCc1cccc(Cl)c1 ZINC000089459814 179795410 /nfs/dbraw/zinc/79/54/10/179795410.db2.gz GWBADRPTKNISAQ-JSGCOSHPSA-N 1 0 280.799 2.374 10 0 CEAERO CCC[C@H](C)NC(=O)COC[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089535626 179812308 /nfs/dbraw/zinc/81/23/08/179812308.db2.gz UZLSUUDEBLUZIK-MJBXVCDLSA-N 1 0 270.417 2.073 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1COCC(=O)NC1CCCCCC1 ZINC000089537295 179813068 /nfs/dbraw/zinc/81/30/68/179813068.db2.gz OCASOVCUMYEXHN-ZIAGYGMSSA-N 1 0 282.428 2.217 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1CNC(=O)c1cc(F)ccc1F ZINC000089500481 179804874 /nfs/dbraw/zinc/80/48/74/179804874.db2.gz JIWDBUSVLZOXGV-VHSXEESVSA-N 1 0 268.307 2.070 10 0 CEAERO Cc1oc(C)c(C(=O)N2CC([NH3+])(C(C)C)C2)c1C ZINC000089664061 179843779 /nfs/dbraw/zinc/84/37/79/179843779.db2.gz PDDHTYYLMAXQPI-UHFFFAOYSA-N 1 0 250.342 2.014 10 0 CEAERO COc1ccc(C[C@@H](C)N(C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000104361495 185984136 /nfs/dbraw/zinc/98/41/36/185984136.db2.gz RQPPFWWBALIJBT-UKRRQHHQSA-N 1 0 262.397 2.310 10 0 CEAERO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1Cc1csc(C(C)(C)C)n1 ZINC000090326982 179960099 /nfs/dbraw/zinc/96/00/99/179960099.db2.gz VVOZZJUVLAXUDK-NQBHXWOUSA-N 1 0 279.453 2.480 10 0 CEAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)c1cc(F)c(F)c(F)c1 ZINC000090330274 179961144 /nfs/dbraw/zinc/96/11/44/179961144.db2.gz VSZDZBHLAVUXFB-GIPNMCIBSA-N 1 0 298.308 2.174 10 0 CEAERO CC1(C)[C@H]2C[NH2+]C[C@@H]2CN1C(=O)CCc1ccccc1 ZINC000090336487 179965288 /nfs/dbraw/zinc/96/52/88/179965288.db2.gz CFNNXLLYFKJBKX-CABCVRRESA-N 1 0 272.392 2.076 10 0 CEAERO CC1(C)[C@H]2C[NH2+]C[C@H]2CN1C(=O)Nc1cccc(F)c1 ZINC000090336729 179965820 /nfs/dbraw/zinc/96/58/20/179965820.db2.gz DXBQSXPPRIYIDZ-GWCFXTLKSA-N 1 0 277.343 2.287 10 0 CEAERO C[C@H]([NH3+])CSCCC(=O)Nc1cccc(F)c1 ZINC000090343408 179968647 /nfs/dbraw/zinc/96/86/47/179968647.db2.gz HTKSQCOMZHYFGT-VIFPVBQESA-N 1 0 256.346 2.235 10 0 CEAERO C[C@@H]([NH3+])CSCCC(=O)Nc1cccc(F)c1 ZINC000090343409 179968942 /nfs/dbraw/zinc/96/89/42/179968942.db2.gz HTKSQCOMZHYFGT-SECBINFHSA-N 1 0 256.346 2.235 10 0 CEAERO C[C@H]([NH3+])CSCC(=O)Nc1ccc(Cl)cc1F ZINC000090344014 179969589 /nfs/dbraw/zinc/96/95/89/179969589.db2.gz WFUYHHIKQDLXQH-ZETCQYMHSA-N 1 0 276.764 2.498 10 0 CEAERO Cc1ccc(CNC(=O)CSCC[C@@H](C)[NH3+])cc1 ZINC000090346584 179970816 /nfs/dbraw/zinc/97/08/16/179970816.db2.gz ZSAAJYHNKYCXQZ-GFCCVEGCSA-N 1 0 266.410 2.082 10 0 CEAERO C[C@@H]([NH3+])CCSCC(=O)N(C)Cc1ccccc1F ZINC000090346119 179970887 /nfs/dbraw/zinc/97/08/87/179970887.db2.gz YRYJBVTXXREZMB-LLVKDONJSA-N 1 0 284.400 2.255 10 0 CEAERO CC[C@H]1CCCCN1C(=O)CSC[C@@H](C)C[NH3+] ZINC000090350231 179971806 /nfs/dbraw/zinc/97/18/06/179971806.db2.gz YIFZVMMIPUAYMQ-RYUDHWBXSA-N 1 0 258.431 2.106 10 0 CEAERO Cc1cccc2c1nc(CS[C@@H](C)CC[NH3+])[nH]c2=O ZINC000090354968 179974394 /nfs/dbraw/zinc/97/43/94/179974394.db2.gz IAWMMXVEBIPSLU-JTQLQIEISA-N 1 0 277.393 2.202 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1NC(=O)c1cc2ccccc2s1 ZINC000090312109 179956543 /nfs/dbraw/zinc/95/65/43/179956543.db2.gz RYRXUNNDIVQLGH-GYSYKLTISA-N 1 0 290.388 2.136 10 0 CEAERO CC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1c(CC)cccc1CC ZINC000090487228 179991444 /nfs/dbraw/zinc/99/14/44/179991444.db2.gz PDUTUSDDYZZTJH-HUUCEWRRSA-N 1 0 290.407 2.374 10 0 CEAERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1ccc(Cl)cc1 ZINC000623766448 350107295 /nfs/dbraw/zinc/10/72/95/350107295.db2.gz GRPROBCUIGBMTR-XDTLVQLUSA-N 1 0 255.745 2.140 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1cccc(SC)c1 ZINC000090538458 180000159 /nfs/dbraw/zinc/00/01/59/180000159.db2.gz OKOSLNSBWDHEKK-UONOGXRCSA-N 1 0 294.420 2.362 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1cccc(Cl)c1 ZINC000090538857 180000319 /nfs/dbraw/zinc/00/03/19/180000319.db2.gz DLMUIRZRFKOFKE-STQMWFEESA-N 1 0 282.771 2.293 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1c(C)cccc1C ZINC000090539119 180000513 /nfs/dbraw/zinc/00/05/13/180000513.db2.gz UHXHTGFBLZWVCT-UONOGXRCSA-N 1 0 276.380 2.257 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccccc1OCC ZINC000090538542 180000528 /nfs/dbraw/zinc/00/05/28/180000528.db2.gz ROLGZXKZMRJKNX-JSGCOSHPSA-N 1 0 292.379 2.038 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)NC1CCC(CC)CC1 ZINC000090543771 180001024 /nfs/dbraw/zinc/00/10/24/180001024.db2.gz ITCQPZXBHCPWLL-CVSAEHQPSA-N 1 0 282.428 2.086 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1CN1c2ccccc2C[C@@H]1C ZINC000090566012 180005710 /nfs/dbraw/zinc/00/57/10/180005710.db2.gz STNXCTOODKEXCP-NUEKZKHPSA-N 1 0 274.408 2.452 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1CN(CCC)CC(F)(F)F ZINC000090566611 180006623 /nfs/dbraw/zinc/00/66/23/180006623.db2.gz CQJXIDBOULWZIF-RYUDHWBXSA-N 1 0 282.350 2.275 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1CN(CC(F)(F)F)C(C)C ZINC000090566614 180006833 /nfs/dbraw/zinc/00/68/33/180006833.db2.gz YEYUNAWKVPJJAA-NWDGAFQWSA-N 1 0 282.350 2.274 10 0 CEAERO CC(C)(c1noc([C@]2(C)COC[C@H]2[NH3+])n1)c1ccccc1 ZINC000090573806 180007237 /nfs/dbraw/zinc/00/72/37/180007237.db2.gz VZGSDLKVTJQLPD-MLGOLLRUSA-N 1 0 287.363 2.011 10 0 CEAERO C[C@@]1(C(=O)Nc2cccc(Cl)c2Cl)COC[C@H]1[NH3+] ZINC000090581945 180008390 /nfs/dbraw/zinc/00/83/90/180008390.db2.gz URFZFVHDGRWCTD-BXKDBHETSA-N 1 0 289.162 2.296 10 0 CEAERO CC(C)(C)c1ccccc1NC(=O)[C@@]1(C)COC[C@H]1[NH3+] ZINC000090586086 180009307 /nfs/dbraw/zinc/00/93/07/180009307.db2.gz FGNAAHYLPSZTQT-CJNGLKHVSA-N 1 0 276.380 2.286 10 0 CEAERO CCN(c1cccc(C)c1)[C@@H](C[NH3+])CC(OC)OC ZINC000090625101 180015756 /nfs/dbraw/zinc/01/57/56/180015756.db2.gz WCYRJJSDRHTWET-CQSZACIVSA-N 1 0 266.385 2.158 10 0 CEAERO Cc1cc(C)c([C@@H](C)[NH2+]CC2(CO)COC2)cc1C ZINC000090642822 180017017 /nfs/dbraw/zinc/01/70/17/180017017.db2.gz HYQRAXNUAAWQIG-CQSZACIVSA-N 1 0 263.381 2.271 10 0 CEAERO COc1ccc([C@@H]([NH3+])c2cnccc2C)cc1OC ZINC000090696460 180027040 /nfs/dbraw/zinc/02/70/40/180027040.db2.gz ZWPMABUZHSUSDS-OAHLLOKOSA-N 1 0 258.321 2.455 10 0 CEAERO C[NH+](C)C[C@H]1CSCCCN1C(=O)NC1CCCCC1 ZINC000090700201 180028125 /nfs/dbraw/zinc/02/81/25/180028125.db2.gz JZIICYCWGUFMDE-AWEZNQCLSA-N 1 0 299.484 2.398 10 0 CEAERO [NH3+]Cc1ccccc1CNc1ncncc1Br ZINC000090781645 180038695 /nfs/dbraw/zinc/03/86/95/180038695.db2.gz QFBRFYLIOKCBRB-UHFFFAOYSA-N 1 0 293.168 2.310 10 0 CEAERO CCOc1cc(OCC2([NH3+])CCCCCC2)ncn1 ZINC000090784563 180040023 /nfs/dbraw/zinc/04/00/23/180040023.db2.gz KEEZDRROEAMONC-UHFFFAOYSA-N 1 0 265.357 2.306 10 0 CEAERO CCCOc1cc(NC[C@H]2CCC[C@@H]2C[NH3+])ncn1 ZINC000090785738 180040049 /nfs/dbraw/zinc/04/00/49/180040049.db2.gz WJZLUEULGBXSDZ-VXGBXAGGSA-N 1 0 264.373 2.052 10 0 CEAERO CC(C)Oc1cc(OC[C@H]2CCC[C@@H]2C[NH3+])ncn1 ZINC000090786358 180040814 /nfs/dbraw/zinc/04/08/14/180040814.db2.gz PRRPZBXMQPICOJ-VXGBXAGGSA-N 1 0 265.357 2.018 10 0 CEAERO CCN(c1cc(OC(C)C)ncn1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000090786211 180040927 /nfs/dbraw/zinc/04/09/27/180040927.db2.gz KMUPEFXIFPFLRF-CHWSQXEVSA-N 1 0 278.400 2.218 10 0 CEAERO CCOc1cc(OC[C@@H]2CCCC[C@@H]2C[NH3+])nc(C)n1 ZINC000090788106 180041143 /nfs/dbraw/zinc/04/11/43/180041143.db2.gz BQVOYJKPJVGACQ-OLZOCXBDSA-N 1 0 279.384 2.328 10 0 CEAERO CCOc1cc(N(CC[NH3+])Cc2ccccc2)nc(C)n1 ZINC000090787760 180041335 /nfs/dbraw/zinc/04/13/35/180041335.db2.gz DPPHBFYHTJIUKC-UHFFFAOYSA-N 1 0 286.379 2.149 10 0 CEAERO COc1ncnc(NC[C@@H](C)C[NH+]2CCCCC2)c1C ZINC000090790873 180042152 /nfs/dbraw/zinc/04/21/52/180042152.db2.gz CKNLTCIMZLNKRY-GFCCVEGCSA-N 1 0 278.400 2.328 10 0 CEAERO CCOc1ncnc(N[C@@H](C)C[NH+]2CCCCC2)c1C ZINC000090791064 180042484 /nfs/dbraw/zinc/04/24/84/180042484.db2.gz SBURJZCQAILVCV-LBPRGKRZSA-N 1 0 278.400 2.470 10 0 CEAERO COc1cccc(OC)c1O[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000090839365 180043404 /nfs/dbraw/zinc/04/34/04/180043404.db2.gz MROVKAWQRMEXLO-VXGBXAGGSA-N 1 0 251.326 2.208 10 0 CEAERO CC[NH2+][C@@H]1C[C@H](Oc2cccc(S(C)(=O)=O)c2)C1(C)C ZINC000090862046 180046823 /nfs/dbraw/zinc/04/68/23/180046823.db2.gz NRNFPHSPIJUCAM-KGLIPLIRSA-N 1 0 297.420 2.246 10 0 CEAERO C[NH2+][C@H]1C[C@H](Oc2cc(OC)cc(OC)c2)C1(C)C ZINC000090861678 180046935 /nfs/dbraw/zinc/04/69/35/180046935.db2.gz YEVAVWGJNIJMJZ-KBPBESRZSA-N 1 0 265.353 2.469 10 0 CEAERO C[NH2+][C@H]1C[C@H](OCC2CCOCC2)C12CCCC2 ZINC000090863605 180047669 /nfs/dbraw/zinc/04/76/69/180047669.db2.gz WFYDWVPMHWKQSL-KBPBESRZSA-N 1 0 253.386 2.350 10 0 CEAERO C[NH2+]Cc1cccc(SCCCC(=O)N(C)C)c1 ZINC000090870736 180049198 /nfs/dbraw/zinc/04/91/98/180049198.db2.gz QQFJYMSPQQTYPX-UHFFFAOYSA-N 1 0 266.410 2.367 10 0 CEAERO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1c1snc2ccccc21 ZINC000090869487 180049336 /nfs/dbraw/zinc/04/93/36/180049336.db2.gz GAPOXOUIRLWILR-CKYFFXLPSA-N 1 0 259.378 2.340 10 0 CEAERO CCS(=O)(=O)CCCSc1cccc(C[NH2+]C)c1 ZINC000090870667 180049415 /nfs/dbraw/zinc/04/94/15/180049415.db2.gz BICUZUGDYVKYLI-UHFFFAOYSA-N 1 0 287.450 2.323 10 0 CEAERO CCNC(=O)CCSc1cccc(C[NH2+]CCOC)c1 ZINC000090873093 180050239 /nfs/dbraw/zinc/05/02/39/180050239.db2.gz IJMBGDHJQSLSPR-UHFFFAOYSA-N 1 0 296.436 2.041 10 0 CEAERO CC[NH2+]Cc1cccc(SC[C@@H](C)C(N)=O)c1 ZINC000090871363 180050288 /nfs/dbraw/zinc/05/02/88/180050288.db2.gz GHAWHWCZDFEBHZ-SNVBAGLBSA-N 1 0 252.383 2.010 10 0 CEAERO Fc1ccc2c(c1)C[C@H](C[NH2+]Cc1cccnc1)O2 ZINC000090892056 180053908 /nfs/dbraw/zinc/05/39/08/180053908.db2.gz WIWIROLTUDZZAW-CQSZACIVSA-N 1 0 258.296 2.314 10 0 CEAERO Fc1ccc2c(c1)C[C@@H](C[NH2+]CC1CCOCC1)O2 ZINC000090892802 180054678 /nfs/dbraw/zinc/05/46/78/180054678.db2.gz YUYFCUAWBJZRGW-AWEZNQCLSA-N 1 0 265.328 2.145 10 0 CEAERO NC(=S)C1CC[NH+](C[C@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090893197 180055312 /nfs/dbraw/zinc/05/53/12/180055312.db2.gz HWJUEYDMJWOKHD-CYBMUJFWSA-N 1 0 294.395 2.127 10 0 CEAERO [NH3+]C1(C[C@@H]2Cc3cc(F)ccc3O2)CCOCC1 ZINC000090896252 180057423 /nfs/dbraw/zinc/05/74/23/180057423.db2.gz CTACSDVCVOSVJG-LBPRGKRZSA-N 1 0 251.301 2.027 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[NH+]1CCC(C(N)=S)CC1)O2 ZINC000090898444 180057706 /nfs/dbraw/zinc/05/77/06/180057706.db2.gz DCNSMQYNPWMHJW-CQSZACIVSA-N 1 0 290.432 2.297 10 0 CEAERO CCC(O)(CC)C[NH2+]C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090898220 180058150 /nfs/dbraw/zinc/05/81/50/180058150.db2.gz BXFOJPUBWVVLCW-AWEZNQCLSA-N 1 0 263.381 2.439 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[N@H+](CC(N)=S)C(C)C)O2 ZINC000090898448 180058507 /nfs/dbraw/zinc/05/85/07/180058507.db2.gz CEENORYGTTUFPB-CYBMUJFWSA-N 1 0 278.421 2.295 10 0 CEAERO CCC[C@@H]1C[NH2+]CCN1C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090902447 180059890 /nfs/dbraw/zinc/05/98/90/180059890.db2.gz IXAUCNMOUQIGBJ-CVEARBPZSA-N 1 0 274.408 2.372 10 0 CEAERO C[NH2+][C@H](CN1C[C@H]2CC[C@@H](C1)O2)c1ccc(C)c(C)c1 ZINC000090906161 180061213 /nfs/dbraw/zinc/06/12/13/180061213.db2.gz QRNCDQOMKAIBOY-IXDOHACOSA-N 1 0 274.408 2.427 10 0 CEAERO CC[NH2+]C[C@@H](c1ccccc1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090907951 180062079 /nfs/dbraw/zinc/06/20/79/180062079.db2.gz MGSAPHJEWUPIKY-XHSDSOJGSA-N 1 0 260.381 2.200 10 0 CEAERO C[C@H]1CCCCC[C@H]1NC(=O)c1csc(CC[NH3+])n1 ZINC000090957665 180075182 /nfs/dbraw/zinc/07/51/82/180075182.db2.gz IZQGLEIWNFJTSU-WDEREUQCSA-N 1 0 281.425 2.343 10 0 CEAERO CCN(CC)C(=O)[C@H](C)[NH2+]Cc1sccc1NC(C)=O ZINC000090960000 180075577 /nfs/dbraw/zinc/07/55/77/180075577.db2.gz PEWJEXIEZLUICK-JTQLQIEISA-N 1 0 297.424 2.053 10 0 CEAERO C[C@@H]1CCC[C@@](CO)([NH2+]Cc2sccc2N)C1 ZINC000090960615 180075992 /nfs/dbraw/zinc/07/59/92/180075992.db2.gz KVRLOSSBLAALJK-ZWNOBZJWSA-N 1 0 254.399 2.361 10 0 CEAERO CCC(O)(CC)C[NH2+]Cc1sccc1NC(C)=O ZINC000090960841 180076481 /nfs/dbraw/zinc/07/64/81/180076481.db2.gz WJKQLBQANMJTIS-UHFFFAOYSA-N 1 0 270.398 2.347 10 0 CEAERO CC[NH2+]Cc1cn(CCS(=O)(=O)CC)c2ccccc12 ZINC000090995436 180082784 /nfs/dbraw/zinc/08/27/84/180082784.db2.gz WOYUFYWMGJPLME-UHFFFAOYSA-N 1 0 294.420 2.186 10 0 CEAERO CC(C)(C)[NH2+]Cc1cn(CCC(N)=O)c2ccccc12 ZINC000090995597 180082849 /nfs/dbraw/zinc/08/28/49/180082849.db2.gz OGOUYWHHVLXDBT-UHFFFAOYSA-N 1 0 273.380 2.405 10 0 CEAERO CC[NH2+]Cc1cn(CC(=O)N(C)CC)c2ccccc12 ZINC000090995379 180083002 /nfs/dbraw/zinc/08/30/02/180083002.db2.gz ZEMXCWHAJOMZMG-UHFFFAOYSA-N 1 0 273.380 2.229 10 0 CEAERO CC(C)CCNC(=O)Cn1cccc1C[NH2+]CC(C)C ZINC000091001858 180083248 /nfs/dbraw/zinc/08/32/48/180083248.db2.gz GFRNXRXDVFFHHS-UHFFFAOYSA-N 1 0 279.428 2.396 10 0 CEAERO COc1cccc(Cn2cccc2C[NH2+]C(C)C)n1 ZINC000091001284 180083265 /nfs/dbraw/zinc/08/32/65/180083265.db2.gz ANRRWWPAFRRQCW-UHFFFAOYSA-N 1 0 259.353 2.438 10 0 CEAERO C[NH2+]Cc1ccn(CC(=O)Nc2cccc(Cl)c2)c1 ZINC000091002967 180083907 /nfs/dbraw/zinc/08/39/07/180083907.db2.gz VQZIWQSDLYWFHD-UHFFFAOYSA-N 1 0 277.755 2.500 10 0 CEAERO [NH3+]CCc1cccn1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000091004953 180084268 /nfs/dbraw/zinc/08/42/68/180084268.db2.gz JLRUXJWLWRVKQW-AWEZNQCLSA-N 1 0 260.312 2.132 10 0 CEAERO COc1ccc(Cn2cccc2C[C@H](C)[NH3+])cc1OC ZINC000091005407 180084659 /nfs/dbraw/zinc/08/46/59/180084659.db2.gz PDOBMZLJPMEPRO-LBPRGKRZSA-N 1 0 274.364 2.443 10 0 CEAERO COc1c(C)cnc(Cn2cccc2C[C@@H](C)[NH3+])c1C ZINC000091005275 180084859 /nfs/dbraw/zinc/08/48/59/180084859.db2.gz KQNLIPBGIOJTDD-GFCCVEGCSA-N 1 0 273.380 2.447 10 0 CEAERO CCCn1ccc(C[NH2+][C@H](CC(C)C)C(=O)NC)c1 ZINC000091012127 180086292 /nfs/dbraw/zinc/08/62/92/180086292.db2.gz XIOLBIPDSLDBPV-CQSZACIVSA-N 1 0 265.401 2.148 10 0 CEAERO OC[C@@H]([NH2+]Cc1c[nH]c2ncccc12)c1ccccc1 ZINC000091018378 180086915 /nfs/dbraw/zinc/08/69/15/180086915.db2.gz FEIRLFKAKMFPBQ-OAHLLOKOSA-N 1 0 267.332 2.386 10 0 CEAERO Cc1noc(Cn2cc(C[NH2+]C(C)C)c3cccnc32)n1 ZINC000091020570 180087702 /nfs/dbraw/zinc/08/77/02/180087702.db2.gz RLRMWQRNKVWLGO-UHFFFAOYSA-N 1 0 285.351 2.274 10 0 CEAERO CC[NH2+]Cc1cn(C[C@H]2CCCO2)c2ncccc12 ZINC000091019948 180087712 /nfs/dbraw/zinc/08/77/12/180087712.db2.gz BEJJQQFHXQAGNB-CYBMUJFWSA-N 1 0 259.353 2.325 10 0 CEAERO CCC[C@@H](C)NC(=O)Cn1cc(C[NH2+]C)c2cccnc21 ZINC000091019738 180087845 /nfs/dbraw/zinc/08/78/45/180087845.db2.gz UAVWXNUMSOLDRP-GFCCVEGCSA-N 1 0 288.395 2.061 10 0 CEAERO CCCn1cccc1C[NH2+][C@H](CC(C)C)C(=O)N(C)C ZINC000091023529 180088661 /nfs/dbraw/zinc/08/86/61/180088661.db2.gz AYYUZPCQSWLQQF-OAHLLOKOSA-N 1 0 279.428 2.491 10 0 CEAERO CCOC(=O)Cn1cc(C[NH2+]C(C)(C)C)c2cccnc21 ZINC000091021048 180088666 /nfs/dbraw/zinc/08/86/66/180088666.db2.gz DSRZTMIZWGDRAM-UHFFFAOYSA-N 1 0 289.379 2.488 10 0 CEAERO CCCn1cccc1C[NH2+]CCC(=O)N(CC)CC ZINC000091025437 180089439 /nfs/dbraw/zinc/08/94/39/180089439.db2.gz DSORLZXFYNJZEW-UHFFFAOYSA-N 1 0 265.401 2.246 10 0 CEAERO CCCn1cccc1C[NH2+][C@H](C)C(=O)N(CC)CC ZINC000091024962 180089583 /nfs/dbraw/zinc/08/95/83/180089583.db2.gz CUCNINDAXWMZDG-CYBMUJFWSA-N 1 0 265.401 2.245 10 0 CEAERO CC(C)(C)OC(=O)NC1([C@@H]2C[NH2+]C[C@@H]2C(F)F)CC1 ZINC000091303482 180130348 /nfs/dbraw/zinc/13/03/48/180130348.db2.gz LROGBRUXGBXHJM-DTWKUNHWSA-N 1 0 276.327 2.144 10 0 CEAERO CCN(CC[C@@H]1C[NH2+]CCO1)c1cccc(F)c1 ZINC000091314024 180133156 /nfs/dbraw/zinc/13/31/56/180133156.db2.gz XIMUXFNNJYQVBJ-CQSZACIVSA-N 1 0 252.333 2.031 10 0 CEAERO CCN(c1cccc(C)c1)[C@@H](C[NH3+])CC(=O)NC(C)(C)C ZINC000091321082 180134080 /nfs/dbraw/zinc/13/40/80/180134080.db2.gz WVQLUDXHTKUELG-OAHLLOKOSA-N 1 0 291.439 2.453 10 0 CEAERO [NH3+]C[C@H](CC(=O)N1CCCC1)Nc1ccc(Cl)cc1 ZINC000091324904 180134471 /nfs/dbraw/zinc/13/44/71/180134471.db2.gz CKGIEGBGUICJCN-ZDUSSCGKSA-N 1 0 281.787 2.092 10 0 CEAERO CCN(CC)C(=O)C[C@H](C[NH3+])Nc1cccc(Cl)c1 ZINC000091323010 180134564 /nfs/dbraw/zinc/13/45/64/180134564.db2.gz SWYMPHPCDUDAPH-CYBMUJFWSA-N 1 0 283.803 2.338 10 0 CEAERO CCN(CC)C(=O)C[C@@H](CN)[N@@H+]1CCC[C@H](C(C)C)CC1 ZINC000091322973 180134709 /nfs/dbraw/zinc/13/47/09/180134709.db2.gz VILWTGIDNIHQMN-HOTGVXAUSA-N 1 0 297.487 2.330 10 0 CEAERO Cc1ccc(N[C@@H](C[NH3+])CC(=O)N2CCCCC2)cc1 ZINC000091325670 180135041 /nfs/dbraw/zinc/13/50/41/180135041.db2.gz UHUJBVKRMKVXCS-OAHLLOKOSA-N 1 0 275.396 2.137 10 0 CEAERO CC1(C)CCC[N@@H+]([C@@H](CN)CC(=O)N2CCCCC2)CC1 ZINC000091325560 180135050 /nfs/dbraw/zinc/13/50/50/180135050.db2.gz QZKYIVLVSZGZHI-OAHLLOKOSA-N 1 0 295.471 2.228 10 0 CEAERO CCc1c(C[NH2+]CCOC)cnn1[C@H](C)C1CC1 ZINC000091338127 180136641 /nfs/dbraw/zinc/13/66/41/180136641.db2.gz NQMOAGCGFMGXHJ-LLVKDONJSA-N 1 0 251.374 2.153 10 0 CEAERO CN(C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1)c1ccccn1 ZINC000091359186 180140543 /nfs/dbraw/zinc/14/05/43/180140543.db2.gz ZFOGOLLTKTWGRW-RDBSUJKOSA-N 1 0 273.380 2.355 10 0 CEAERO CN(CC1CCOCC1)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000091361340 180141486 /nfs/dbraw/zinc/14/14/86/180141486.db2.gz HLSOBSIIYPCLFT-PMPSAXMXSA-N 1 0 294.439 2.182 10 0 CEAERO CC[C@H]([NH3+])[C@@H](S[C@@H](C)CCO)c1ccccn1 ZINC000091262430 180116617 /nfs/dbraw/zinc/11/66/17/180116617.db2.gz YKUNONVZKPKGGO-GMXVVIOVSA-N 1 0 254.399 2.364 10 0 CEAERO CC[C@@H]1CN(Cc2cncn2C(C)C)[C@@H](CC)C[NH2+]1 ZINC000091273067 180118059 /nfs/dbraw/zinc/11/80/59/180118059.db2.gz ZDGQZMISRPMLEG-KGLIPLIRSA-N 1 0 264.417 2.426 10 0 CEAERO CC(C)n1cncc1CN(C)[C@H]1CCC[C@@H]1C[NH3+] ZINC000091273112 180118111 /nfs/dbraw/zinc/11/81/11/180118111.db2.gz VORILYVSFNPKQI-OCCSQVGLSA-N 1 0 250.390 2.023 10 0 CEAERO O[C@@H](c1cncn1C1CC1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000091277387 180119959 /nfs/dbraw/zinc/11/99/59/180119959.db2.gz QCUBQQYUUYPSST-CVEARBPZSA-N 1 0 269.348 2.138 10 0 CEAERO CCCCN([C@@H](C[NH3+])c1cncn1C1CC1)C1CC1 ZINC000091276377 180120243 /nfs/dbraw/zinc/12/02/43/180120243.db2.gz NWEGNWNGNXLSAO-AWEZNQCLSA-N 1 0 262.401 2.482 10 0 CEAERO O=C(C[C@H]1CSCC[NH2+]1)Nc1c(F)cc(F)cc1F ZINC000091291826 180123249 /nfs/dbraw/zinc/12/32/49/180123249.db2.gz GZMXUNHGMAOYQK-QMMMGPOBSA-N 1 0 290.310 2.138 10 0 CEAERO c1ccc2c(c1)CCN(CC[C@H]1CSCC[NH2+]1)C2 ZINC000091291988 180123854 /nfs/dbraw/zinc/12/38/54/180123854.db2.gz JYMRIZRGLOQXEV-HNNXBMFYSA-N 1 0 262.422 2.140 10 0 CEAERO CCCn1c(C[NH2+]C2CC(O)C2)nc2ccccc21 ZINC000091428176 180152808 /nfs/dbraw/zinc/15/28/08/180152808.db2.gz FZOMTJOXJCQOHX-UHFFFAOYSA-N 1 0 259.353 2.059 10 0 CEAERO C[NH+](C)[C@H]1CCCN(CCNc2ccccc2F)C1 ZINC000091430884 180153766 /nfs/dbraw/zinc/15/37/66/180153766.db2.gz NMGIMCOXUTZBHY-ZDUSSCGKSA-N 1 0 265.376 2.264 10 0 CEAERO CC1(C)CC[N@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000091439769 180156171 /nfs/dbraw/zinc/15/61/71/180156171.db2.gz QYFIISYJQWIJEC-OAHLLOKOSA-N 1 0 263.381 2.296 10 0 CEAERO CCCn1ncnc1C[C@@]1(CC(C)C)CCC[NH2+]1 ZINC000091446412 180156539 /nfs/dbraw/zinc/15/65/39/180156539.db2.gz KPGXDFGCZFHISE-AWEZNQCLSA-N 1 0 250.390 2.399 10 0 CEAERO COc1ccc(-c2csc([C@@H]3C[NH2+]CCO3)n2)cc1 ZINC000091500223 180174951 /nfs/dbraw/zinc/17/49/51/180174951.db2.gz WMGSGLGCOGARPZ-ZDUSSCGKSA-N 1 0 276.361 2.480 10 0 CEAERO CNc1c(F)cccc1C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000091449975 180158033 /nfs/dbraw/zinc/15/80/33/180158033.db2.gz ACCYCTUDRVXSGI-LLVKDONJSA-N 1 0 279.359 2.034 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccccc1OC)N(C)CC1CC(O)C1 ZINC000091451138 180158978 /nfs/dbraw/zinc/15/89/78/180158978.db2.gz ZHKRVUSVRHVRNO-SGALNCENSA-N 1 0 292.423 2.176 10 0 CEAERO COc1c(C)c[nH+]c(C[C@](C)(O)CC(OC)OC)c1C ZINC000091466685 180164275 /nfs/dbraw/zinc/16/42/75/180164275.db2.gz KJTIUAQMPRKATM-HNNXBMFYSA-N 1 0 283.368 2.010 10 0 CEAERO O[C@@H](C[NH2+]C1CC1)c1ccccc1OC(F)(F)F ZINC000091470171 180164877 /nfs/dbraw/zinc/16/48/77/180164877.db2.gz KXTQROBNBBPDMH-JTQLQIEISA-N 1 0 261.243 2.371 10 0 CEAERO CCC[C@@H]1CCC(=O)[C@H](C[N@H+](C)CC2CC(O)C2)C1 ZINC000091490526 180169546 /nfs/dbraw/zinc/16/95/46/180169546.db2.gz FQDVMDSONXADSE-JLVJUDLZSA-N 1 0 267.413 2.475 10 0 CEAERO CCc1ccc(C(=O)CN2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091394020 180145459 /nfs/dbraw/zinc/14/54/59/180145459.db2.gz BISVEPBYJWXMBT-INIZCTEOSA-N 1 0 274.408 2.458 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(Cc2c(N)cccc2Cl)C1 ZINC000091393837 180145785 /nfs/dbraw/zinc/14/57/85/180145785.db2.gz OJPDZLVZJSTUTD-LLVKDONJSA-N 1 0 267.804 2.448 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(C(=O)c2c(N)cccc2Cl)C1 ZINC000091395421 180146304 /nfs/dbraw/zinc/14/63/04/180146304.db2.gz MLNDUJDWZHGWRB-SNVBAGLBSA-N 1 0 281.787 2.088 10 0 CEAERO O=C(C1C[NH2+]C1)N(Cc1ccccc1)c1ccccc1 ZINC000091408643 180148211 /nfs/dbraw/zinc/14/82/11/180148211.db2.gz JBXXIOXTLPDNRV-UHFFFAOYSA-N 1 0 266.344 2.439 10 0 CEAERO Cc1nc(-c2ccc(NC(=O)C3C[NH2+]C3)cc2)cs1 ZINC000091409314 180148370 /nfs/dbraw/zinc/14/83/70/180148370.db2.gz FJYIGMFRMHVZAE-UHFFFAOYSA-N 1 0 273.361 2.276 10 0 CEAERO C[C@@H](NC(=O)C1C[NH2+]C1)c1cccc2ccccc21 ZINC000091411412 180149112 /nfs/dbraw/zinc/14/91/12/180149112.db2.gz GNGCPCBBYRHTKR-LLVKDONJSA-N 1 0 254.333 2.236 10 0 CEAERO C[NH2+]Cc1cncc(N(C)[C@H](C)c2cccs2)n1 ZINC000091419902 180150460 /nfs/dbraw/zinc/15/04/60/180150460.db2.gz SFAMUGJRYYAEHW-SNVBAGLBSA-N 1 0 262.382 2.455 10 0 CEAERO CCC[NH2+]Cc1cncc(N(CC)CC(C)C)n1 ZINC000091419153 180150624 /nfs/dbraw/zinc/15/06/24/180150624.db2.gz NIHQSCDWSIZEPZ-UHFFFAOYSA-N 1 0 250.390 2.459 10 0 CEAERO CC(C)[NH2+]Cc1cncc(N(C)[C@@H](C)C(C)C)n1 ZINC000091419380 180150686 /nfs/dbraw/zinc/15/06/86/180150686.db2.gz QOLYQFMEUCNUTH-LBPRGKRZSA-N 1 0 250.390 2.455 10 0 CEAERO CC(C)C[NH2+]Cc1cncc(N(C)CC(F)(F)F)n1 ZINC000091419665 180150842 /nfs/dbraw/zinc/15/08/42/180150842.db2.gz HAXPNJFVQZKCKM-UHFFFAOYSA-N 1 0 276.306 2.221 10 0 CEAERO CCC[NH2+]Cc1cncc(-n2ccc(C(F)(F)F)n2)n1 ZINC000091422460 180151160 /nfs/dbraw/zinc/15/11/60/180151160.db2.gz CUCMDZBHHZQZMK-UHFFFAOYSA-N 1 0 285.273 2.181 10 0 CEAERO CCOCCN(CC)c1cncc(C[NH2+]C(C)(C)C)n1 ZINC000091421670 180151202 /nfs/dbraw/zinc/15/12/02/180151202.db2.gz DVQLTIBEPRGOIJ-UHFFFAOYSA-N 1 0 280.416 2.228 10 0 CEAERO CCCN1C(=O)C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1=O ZINC000105076609 186040962 /nfs/dbraw/zinc/04/09/62/186040962.db2.gz XBVHROHNTSWEID-GWCFXTLKSA-N 1 0 278.327 2.014 10 0 CEAERO Cc1ccccc1C[C@@H](O)C(C)(C)[NH+]1CCOCC1 ZINC000091565879 180193567 /nfs/dbraw/zinc/19/35/67/180193567.db2.gz KHEGUSDOXMGFRA-OAHLLOKOSA-N 1 0 263.381 2.009 10 0 CEAERO CCn1cc(C[C@H]([NH3+])C(C)(C)N2CCCCC2)cn1 ZINC000091564431 180193697 /nfs/dbraw/zinc/19/36/97/180193697.db2.gz CHYGCHPOROOEIU-AWEZNQCLSA-N 1 0 264.417 2.037 10 0 CEAERO Cc1cc([C@H]([NH3+])C(C)(C)N2CCOCC2)ccc1F ZINC000091566096 180193875 /nfs/dbraw/zinc/19/38/75/180193875.db2.gz QHFXUZNKAADMDH-AWEZNQCLSA-N 1 0 266.360 2.245 10 0 CEAERO C[NH2+][C@H](Cc1cccc(F)c1)C(C)(C)N1CCOCC1 ZINC000091566584 180193918 /nfs/dbraw/zinc/19/39/18/180193918.db2.gz JMKKIXUJJDIAND-OAHLLOKOSA-N 1 0 280.387 2.067 10 0 CEAERO Cn1cc([C@H](O)C(C)(C)[NH+]2CCCCCC2)cn1 ZINC000091567687 180194603 /nfs/dbraw/zinc/19/46/03/180194603.db2.gz WYQSJCRBEQGUMQ-ZDUSSCGKSA-N 1 0 251.374 2.108 10 0 CEAERO CC[NH2+][C@H](C1CCCC1)C(C)(C)N1CCOCC1 ZINC000091566861 180194751 /nfs/dbraw/zinc/19/47/51/180194751.db2.gz WSUFVIRYROCGBY-CQSZACIVSA-N 1 0 254.418 2.266 10 0 CEAERO CCn1cc(C[C@@H](N)C(C)(C)[NH+]2CCCCCC2)cn1 ZINC000091567868 180194961 /nfs/dbraw/zinc/19/49/61/180194961.db2.gz BDRQSVHFLWRYJH-OAHLLOKOSA-N 1 0 278.444 2.427 10 0 CEAERO CC[C@@](C)([C@@H](Cc1nn(C)c2ccccc12)[NH2+]C)N(C)C ZINC000091570368 180195362 /nfs/dbraw/zinc/19/53/62/180195362.db2.gz FCBCZCKZAFVKGJ-SJORKVTESA-N 1 0 288.439 2.434 10 0 CEAERO CC[NH2+][C@@H](c1cnccc1N)[C@](C)(CC)N(C)C ZINC000091571210 180195631 /nfs/dbraw/zinc/19/56/31/180195631.db2.gz WNNFZCXFRMDGGQ-KBPBESRZSA-N 1 0 250.390 2.045 10 0 CEAERO CC[C@](C)([C@H](N)Cc1cccc(OC)c1)[NH+](C)C ZINC000091570029 180195814 /nfs/dbraw/zinc/19/58/14/180195814.db2.gz INMRHNVKWQHRRX-HUUCEWRRSA-N 1 0 250.386 2.295 10 0 CEAERO CC[C@](C)([C@@H](N)Cc1ncc(C)c(OC)c1C)[NH+](C)C ZINC000091569695 180195864 /nfs/dbraw/zinc/19/58/64/180195864.db2.gz BBLLNWPIIYFQPQ-GOEBONIOSA-N 1 0 279.428 2.307 10 0 CEAERO CCC[NH2+][C@H](c1cnccc1N)[C@](C)(CC)N(C)C ZINC000091571891 180196185 /nfs/dbraw/zinc/19/61/85/180196185.db2.gz MDIDLHZZBFNSCS-CABCVRRESA-N 1 0 264.417 2.435 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@H](O)c1cnccc1N ZINC000091573397 180196708 /nfs/dbraw/zinc/19/67/08/180196708.db2.gz DQNPETYIBCGXRP-ZIAGYGMSSA-N 1 0 251.374 2.208 10 0 CEAERO CCn1nccc1[C@@H](O)[C@@](C)(CC)[NH+]1CCCC1 ZINC000091602519 180202968 /nfs/dbraw/zinc/20/29/68/180202968.db2.gz DLRPURHYZCDTTD-ZIAGYGMSSA-N 1 0 251.374 2.201 10 0 CEAERO O=C(NCCc1ccsc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105135340 186043634 /nfs/dbraw/zinc/04/36/34/186043634.db2.gz LIGDOYFHVGIVGB-AWEZNQCLSA-N 1 0 293.436 2.170 10 0 CEAERO CCn1ccnc1[C@H](NC)[C@](C)(CC)[NH+]1CCCC1 ZINC000091606727 180204370 /nfs/dbraw/zinc/20/43/70/180204370.db2.gz QGKXBVUBYBPILG-ZFWWWQNUSA-N 1 0 264.417 2.428 10 0 CEAERO CC[C@@](C)([C@@H](N)c1cccnc1N)[NH+]1CCCCC1 ZINC000091609527 180205197 /nfs/dbraw/zinc/20/51/97/180205197.db2.gz YKCBRLZNOJEJIT-ZFWWWQNUSA-N 1 0 262.401 2.318 10 0 CEAERO CC[C@@](C)([C@@H]([NH2+]C)c1cncnc1)N1CCCCC1 ZINC000091609655 180205424 /nfs/dbraw/zinc/20/54/24/180205424.db2.gz WACQUKVVJCWXCL-GJZGRUSLSA-N 1 0 262.401 2.392 10 0 CEAERO CC[C@@](C)([C@H](O)Cc1cc(C)nn1C)[NH+]1CCCCC1 ZINC000091608569 180205565 /nfs/dbraw/zinc/20/55/65/180205565.db2.gz CHQHBCBNOKYRQH-CVEARBPZSA-N 1 0 279.428 2.287 10 0 CEAERO CC[C@](C)([C@H](N)Cc1cc(C)nn1C)[NH+]1CCCCC1 ZINC000091609298 180205609 /nfs/dbraw/zinc/20/56/09/180205609.db2.gz OIEWWWQZPLNBCI-HZPDHXFCSA-N 1 0 278.444 2.253 10 0 CEAERO CC[C@](C)([C@@H](N)c1cnn(C)c1)[NH+]1CCCCC1 ZINC000091609272 180205664 /nfs/dbraw/zinc/20/56/64/180205664.db2.gz MHIGEWKRKCQKHH-UONOGXRCSA-N 1 0 250.390 2.075 10 0 CEAERO CC[C@@](C)([C@H](NC)c1nccn1C)[NH+]1CCCCC1 ZINC000091609729 180205827 /nfs/dbraw/zinc/20/58/27/180205827.db2.gz YPDINPWNAJWOHS-HIFRSBDPSA-N 1 0 264.417 2.335 10 0 CEAERO CC[C@](C)([C@H](O)c1cccs1)[NH+]1CCOCC1 ZINC000091611054 180206583 /nfs/dbraw/zinc/20/65/83/180206583.db2.gz QIUHKZLCQLZPEF-CHWSQXEVSA-N 1 0 255.383 2.282 10 0 CEAERO CC[C@](C)([C@@H]([NH3+])c1ccc(F)cc1F)N1CCOCC1 ZINC000091611632 180206855 /nfs/dbraw/zinc/20/68/55/180206855.db2.gz HDSHHBWUAWNVOQ-LSDHHAIUSA-N 1 0 284.350 2.466 10 0 CEAERO CC[C@](C)([C@@H](O)Cc1cccc(C)c1)[NH+]1CCOCC1 ZINC000091611076 180206859 /nfs/dbraw/zinc/20/68/59/180206859.db2.gz MJSNKQSZYNNAOS-DLBZAZTESA-N 1 0 277.408 2.399 10 0 CEAERO CC[NH2+][C@@H](c1cncc(F)c1)[C@@](C)(CC)N1CCOCC1 ZINC000091612996 180206993 /nfs/dbraw/zinc/20/69/93/180206993.db2.gz TYSWFQVWXKCIHR-JKSUJKDBSA-N 1 0 295.402 2.372 10 0 CEAERO CCC(CC)([C@H](O)c1cc(C)cnc1N)[NH+](C)C ZINC000091613713 180207760 /nfs/dbraw/zinc/20/77/60/180207760.db2.gz PPDVISVLPBUJDB-GFCCVEGCSA-N 1 0 251.374 2.126 10 0 CEAERO CC[NH+](CC)C(CC)(CC)[C@@H](N)Cc1cccnc1N ZINC000091615900 180207853 /nfs/dbraw/zinc/20/78/53/180207853.db2.gz ONLMCJBYTXBNGO-AWEZNQCLSA-N 1 0 278.444 2.434 10 0 CEAERO CCC(CC)([C@H](Cc1ncnn1CC(C)C)[NH2+]C)N(C)C ZINC000091614239 180208226 /nfs/dbraw/zinc/20/82/26/180208226.db2.gz SRNKJWGNZSPQMS-AWEZNQCLSA-N 1 0 295.475 2.185 10 0 CEAERO Cc1nc(NC(=O)C[C@@H]2CCC[NH2+]2)ccc1Br ZINC000091507301 180176014 /nfs/dbraw/zinc/17/60/14/180176014.db2.gz DLGATFMISSEWKY-VIFPVBQESA-N 1 0 298.184 2.233 10 0 CEAERO CCCOc1ccc([C@](C)(O)CC[NH2+]CCOC)cc1 ZINC000091519865 180178468 /nfs/dbraw/zinc/17/84/68/180178468.db2.gz XOTFDVSZDUSGJR-MRXNPFEDSA-N 1 0 281.396 2.309 10 0 CEAERO OC1CC(C[NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC000091525447 180179080 /nfs/dbraw/zinc/17/90/80/180179080.db2.gz NDXXPFDFPUVKSI-WFBLGPOFSA-N 1 0 251.292 2.468 10 0 CEAERO COc1ccc(C)cc1C[C@@H](N)C(C)(C)[NH+](C)C ZINC000091528350 180179567 /nfs/dbraw/zinc/17/95/67/180179567.db2.gz HLWZVXJPSHKOJR-CQSZACIVSA-N 1 0 250.386 2.214 10 0 CEAERO CCn1nc(C)cc1C[C@H](N)C(C)(C)[NH+](CC)CC ZINC000091530456 180180223 /nfs/dbraw/zinc/18/02/23/180180223.db2.gz QQBUPRWPTFHMKQ-AWEZNQCLSA-N 1 0 266.433 2.202 10 0 CEAERO CC[NH+](CC)C(C)(C)[C@H](O)c1cc(C)cnc1N ZINC000091530116 180180371 /nfs/dbraw/zinc/18/03/71/180180371.db2.gz FOIHZWYMNMZDKW-GFCCVEGCSA-N 1 0 251.374 2.126 10 0 CEAERO CCC[NH2+][C@H](c1cnn(CC)c1)C(C)(C)N(C)C ZINC000091529569 180180590 /nfs/dbraw/zinc/18/05/90/180180590.db2.gz OHUBTGBEHAAPPH-CYBMUJFWSA-N 1 0 252.406 2.284 10 0 CEAERO CCN(CC)C(C)(C)[C@H]([NH2+]C)c1c(C)ccnc1N ZINC000091530700 180180736 /nfs/dbraw/zinc/18/07/36/180180736.db2.gz XVJYDUMAVAJVLC-CYBMUJFWSA-N 1 0 264.417 2.353 10 0 CEAERO [NH3+][C@H]1CC[C@H](C(=O)Nc2cc3c(cc2Cl)OCO3)C1 ZINC000091541034 180183523 /nfs/dbraw/zinc/18/35/23/180183523.db2.gz HCNQHWOCYGYADD-YUMQZZPRSA-N 1 0 282.727 2.135 10 0 CEAERO Cc1ccc(CN(C)C(=O)[C@H]2CC[C@H]([NH3+])C2)c(C)c1 ZINC000091542233 180184458 /nfs/dbraw/zinc/18/44/58/180184458.db2.gz CMWXZNVMAUKHCM-ZFWWWQNUSA-N 1 0 260.381 2.389 10 0 CEAERO CCC1CCC(CNC(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091546379 180186958 /nfs/dbraw/zinc/18/69/58/180186958.db2.gz YQXIBMNFYGVFSI-HOAMVYINSA-N 1 0 252.402 2.446 10 0 CEAERO CC[NH+](CC)C1([C@H](N)c2cnn(C)c2)CCCC1 ZINC000091639238 180212068 /nfs/dbraw/zinc/21/20/68/180212068.db2.gz KMHIQBIEHUSYAH-CYBMUJFWSA-N 1 0 250.390 2.075 10 0 CEAERO CCCn1cc([C@H](N)C2([NH+](C)C)CCCC2)cn1 ZINC000091637414 180212346 /nfs/dbraw/zinc/21/23/46/180212346.db2.gz KXXYYBFMKREJMH-ZDUSSCGKSA-N 1 0 250.390 2.167 10 0 CEAERO C[NH2+][C@H](Cc1csc(C)n1)C1(N(C)C)CCCC1 ZINC000091637716 180212379 /nfs/dbraw/zinc/21/23/79/180212379.db2.gz FLJHNICXYWHULV-CYBMUJFWSA-N 1 0 267.442 2.456 10 0 CEAERO CN[C@H](c1cccnc1N)C1([NH+]2CCCC2)CCCC1 ZINC000091641086 180212938 /nfs/dbraw/zinc/21/29/38/180212938.db2.gz LFAYQVIIYWDZLF-CQSZACIVSA-N 1 0 274.412 2.333 10 0 CEAERO C[NH2+][C@H](c1cncnc1)C1(N2CCCC2)CCCC1 ZINC000091640870 180212967 /nfs/dbraw/zinc/21/29/67/180212967.db2.gz JKGCZMDCRQMEJX-CQSZACIVSA-N 1 0 260.385 2.146 10 0 CEAERO CCn1cc(C(=O)C2([NH+]3CCCC3)CCCC2)cn1 ZINC000091640078 180213168 /nfs/dbraw/zinc/21/31/68/180213168.db2.gz JYOZRQSVKJPYKI-UHFFFAOYSA-N 1 0 261.369 2.494 10 0 CEAERO CCn1cc(C[C@H](O)C2([NH+]3CCCC3)CCCC2)cn1 ZINC000091640239 180213245 /nfs/dbraw/zinc/21/32/45/180213245.db2.gz NBFXOIXFXSMLQL-HNNXBMFYSA-N 1 0 277.412 2.215 10 0 CEAERO Cn1ccnc1C(=O)C1([NH+]2CCCCC2)CCCC1 ZINC000091641488 180213351 /nfs/dbraw/zinc/21/33/51/180213351.db2.gz OXGGGMVJQQECPA-UHFFFAOYSA-N 1 0 261.369 2.402 10 0 CEAERO Cc1ccncc1[C@@H]([NH3+])C1(N2CCOCC2)CCCC1 ZINC000091643034 180214031 /nfs/dbraw/zinc/21/40/31/180214031.db2.gz PUFKHCDCWNXUCA-OAHLLOKOSA-N 1 0 275.396 2.035 10 0 CEAERO [NH3+][C@@H](Cc1ccccc1F)C1(N2CCOCC2)CCCC1 ZINC000091642826 180214078 /nfs/dbraw/zinc/21/40/78/180214078.db2.gz XTZQVUAWWYJNTK-INIZCTEOSA-N 1 0 292.398 2.341 10 0 CEAERO C[NH2+][C@H](Cc1cnccc1N)C1(N(C)C)CCCCC1 ZINC000091647432 180215376 /nfs/dbraw/zinc/21/53/76/180215376.db2.gz CSWNFSKTOGKLNK-OAHLLOKOSA-N 1 0 276.428 2.059 10 0 CEAERO CC1CCC(C(=O)Cc2cnn(C)c2)([NH+](C)C)CC1 ZINC000091648231 180215465 /nfs/dbraw/zinc/21/54/65/180215465.db2.gz JVHSDYXZZHRODZ-UHFFFAOYSA-N 1 0 263.385 2.042 10 0 CEAERO CCC[NH2+][C@H](C1CC1)C1(N2CCOCC2)CCCC1 ZINC000091646362 180215605 /nfs/dbraw/zinc/21/56/05/180215605.db2.gz APVWFAPQZQZASV-OAHLLOKOSA-N 1 0 266.429 2.410 10 0 CEAERO CC(C)n1ncnc1CC(=O)[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000091650353 180216052 /nfs/dbraw/zinc/21/60/52/180216052.db2.gz KBTRUXLUPRPDQV-CZUORRHYSA-N 1 0 292.427 2.481 10 0 CEAERO CCn1ccnc1[C@@H](N)C1([NH+](C)C)CCC(C)CC1 ZINC000091648930 180216169 /nfs/dbraw/zinc/21/61/69/180216169.db2.gz XJUQTDPHSSESCK-JVWICGRDSA-N 1 0 264.417 2.413 10 0 CEAERO C[NH+](C)C1([C@@H](O)Cc2cccnc2N)CCCCCC1 ZINC000091653938 180217317 /nfs/dbraw/zinc/21/73/17/180217317.db2.gz RYMNYZDERIOIPY-AWEZNQCLSA-N 1 0 277.412 2.222 10 0 CEAERO CN[C@@H](c1nccn1C)C1([NH+](C)C)CCCCCC1 ZINC000091654452 180217341 /nfs/dbraw/zinc/21/73/41/180217341.db2.gz DRDSTJBJFXSFFR-ZDUSSCGKSA-N 1 0 264.417 2.335 10 0 CEAERO Nc1ccc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(C(F)F)c1 ZINC000091662672 180219572 /nfs/dbraw/zinc/21/95/72/180219572.db2.gz QCAVRDXOWWKMMG-NEPJUHHUSA-N 1 0 297.349 2.482 10 0 CEAERO CCCC[C@H]([NH2+]CCC)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091722048 180239463 /nfs/dbraw/zinc/23/94/63/180239463.db2.gz YGRULGGKSGPSPA-ILXRZTDVSA-N 1 0 254.418 2.408 10 0 CEAERO O=C(Cc1ccc(F)cc1Cl)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091714178 180231429 /nfs/dbraw/zinc/23/14/29/180231429.db2.gz CVXRNNLMXBTJAK-DOMZBBRYSA-N 1 0 297.757 2.454 10 0 CEAERO C[NH2+][C@@H](c1ccccc1C(F)(F)F)[C@H]1CN(C)CCO1 ZINC000091717728 180232469 /nfs/dbraw/zinc/23/24/69/180232469.db2.gz YMXOENWVMLLFDP-OLZOCXBDSA-N 1 0 288.313 2.297 10 0 CEAERO C[NH2+][C@H](c1ccc(C(F)(F)F)cc1)[C@@H]1CN(C)CCO1 ZINC000091717472 180232782 /nfs/dbraw/zinc/23/27/82/180232782.db2.gz PXYGTROPFTVAAS-QWHCGFSZSA-N 1 0 288.313 2.297 10 0 CEAERO CC[NH2+][C@@H](c1ccc(OCC)cc1)[C@H]1CN(C)CCO1 ZINC000091718408 180233252 /nfs/dbraw/zinc/23/32/52/180233252.db2.gz PQPCNNXCLJMQIN-CVEARBPZSA-N 1 0 278.396 2.067 10 0 CEAERO CC[NH2+][C@H](Cc1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000091718521 180233643 /nfs/dbraw/zinc/23/36/43/180233643.db2.gz SNAMVSIFRPUJPM-HUUCEWRRSA-N 1 0 282.815 2.191 10 0 CEAERO CC[NH2+][C@@H](c1ccc(F)c(C)c1)[C@H]1CN(C)CCO1 ZINC000091718292 180233766 /nfs/dbraw/zinc/23/37/66/180233766.db2.gz SQUCSIIAUMCTJW-CABCVRRESA-N 1 0 266.360 2.115 10 0 CEAERO CCC[NH2+][C@H](c1ccc(C)cc1)[C@H]1CN(C)CCO1 ZINC000091719237 180234170 /nfs/dbraw/zinc/23/41/70/180234170.db2.gz IFUKMIUUNGCWHB-HZPDHXFCSA-N 1 0 262.397 2.366 10 0 CEAERO CCC[NH2+][C@@H](Cc1cccc(F)c1)[C@H]1CN(C)CCO1 ZINC000091719212 180234447 /nfs/dbraw/zinc/23/44/47/180234447.db2.gz NXOVIKCMVYSMBY-JKSUJKDBSA-N 1 0 280.387 2.067 10 0 CEAERO CCC[NH2+][C@H](CCc1ccccc1)[C@@H]1CN(C)CCO1 ZINC000091719511 180234448 /nfs/dbraw/zinc/23/44/48/180234448.db2.gz IWRNLGIALNCHLX-SJORKVTESA-N 1 0 276.424 2.318 10 0 CEAERO CCC[NH2+][C@@H](c1c(F)cccc1F)[C@@H]1CN(C)CCO1 ZINC000091719158 180234451 /nfs/dbraw/zinc/23/44/51/180234451.db2.gz DXJINSXNMORVAV-DZGCQCFKSA-N 1 0 284.350 2.336 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccc(C)cc1)[C@H]1CN(C)CCO1 ZINC000091719096 180234519 /nfs/dbraw/zinc/23/45/19/180234519.db2.gz BGEZOBVNNNDIGN-DLBZAZTESA-N 1 0 276.424 2.236 10 0 CEAERO CCC[NH2+][C@@H](c1csc(C)c1)[C@H]1CN(C)CCO1 ZINC000091719464 180234653 /nfs/dbraw/zinc/23/46/53/180234653.db2.gz QWBKGDCYEUXRGQ-KGLIPLIRSA-N 1 0 268.426 2.428 10 0 CEAERO C[NH2+][C@H](c1ccc(C)cc1C)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091720900 180236157 /nfs/dbraw/zinc/23/61/57/180236157.db2.gz HTBQKNMXDDBEED-DJIMGWMZSA-N 1 0 274.408 2.427 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccccc1OC)CN(C)C ZINC000091720132 180236186 /nfs/dbraw/zinc/23/61/86/180236186.db2.gz OPJHHZLFJJFQPR-AWEZNQCLSA-N 1 0 250.386 2.168 10 0 CEAERO C[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1cc2ccccc2o1 ZINC000624235989 350239685 /nfs/dbraw/zinc/23/96/85/350239685.db2.gz ULNPZQUUFSVRNS-WCFLWFBJSA-N 1 0 261.321 2.233 10 0 CEAERO C[NH2+][C@H](C1CCC(C)CC1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721421 180237982 /nfs/dbraw/zinc/23/79/82/180237982.db2.gz VWCGSMLFDGDPGE-MTERUZRBSA-N 1 0 266.429 2.264 10 0 CEAERO CC[NH2+][C@H](C)c1cccn1CCC(=O)NC(C)C ZINC000091801435 180259084 /nfs/dbraw/zinc/25/90/84/180259084.db2.gz UNIHZINATHXSEX-GFCCVEGCSA-N 1 0 251.374 2.073 10 0 CEAERO CC[NH2+][C@H]1CCCc2sc([C@@H]3CN(C)CCO3)nc21 ZINC000091722551 180240060 /nfs/dbraw/zinc/24/00/60/180240060.db2.gz WQDKGVWAOGCJIM-QWRGUYRKSA-N 1 0 281.425 2.133 10 0 CEAERO CCOc1ccc(C[NH2+]CCc2nc(C)no2)cc1 ZINC000105470227 186059302 /nfs/dbraw/zinc/05/93/02/186059302.db2.gz VBQMHYYAFGIHLD-UHFFFAOYSA-N 1 0 261.325 2.109 10 0 CEAERO CCC[NH2+][C@@H](CC)[C@@H](C)c1nc(CN(C)C)no1 ZINC000091747687 180245257 /nfs/dbraw/zinc/24/52/57/180245257.db2.gz USZZYDKWSYJDKY-MNOVXSKESA-N 1 0 254.378 2.013 10 0 CEAERO CCC[NH2+][C@@H](C)[C@H](c1nc(CN(C)C)no1)C(C)C ZINC000091747681 180245387 /nfs/dbraw/zinc/24/53/87/180245387.db2.gz JZYZKRHMAZMRKX-WCQYABFASA-N 1 0 268.405 2.259 10 0 CEAERO CCCCOCC[N@H+](C)C1CCC2(CC1)OCCO2 ZINC000091853586 180273762 /nfs/dbraw/zinc/27/37/62/180273762.db2.gz JAVRCBRKBJRAPV-UHFFFAOYSA-N 1 0 271.401 2.421 10 0 CEAERO CCC[NH2+][C@H](C)c1ccn(CCC(=O)NCC)c1 ZINC000091806287 180260520 /nfs/dbraw/zinc/26/05/20/180260520.db2.gz BIUUEIVQFQHYDU-GFCCVEGCSA-N 1 0 251.374 2.075 10 0 CEAERO CCC[NH2+][C@H](C)c1ccn(CC(=O)N[C@@H](C)CC)c1 ZINC000091805929 180260579 /nfs/dbraw/zinc/26/05/79/180260579.db2.gz GBQSLCZLVPFBPB-QWHCGFSZSA-N 1 0 265.401 2.463 10 0 CEAERO CC[NH2+][C@H](CC)c1ccn(CCOCCOC)c1 ZINC000091817196 180262881 /nfs/dbraw/zinc/26/28/81/180262881.db2.gz MNWKDUBVOJHHEN-CQSZACIVSA-N 1 0 254.374 2.212 10 0 CEAERO CCC[NH2+][C@H](CC)c1ccn(C[C@@H](C)C(N)=O)c1 ZINC000091817632 180263035 /nfs/dbraw/zinc/26/30/35/180263035.db2.gz ZEDZBKVZDIKZMU-DGCLKSJQSA-N 1 0 251.374 2.060 10 0 CEAERO CC[C@H]([NH2+]C)c1ccn(CC(=O)NC(C)(C)C)c1 ZINC000091816817 180263187 /nfs/dbraw/zinc/26/31/87/180263187.db2.gz BOSUJWYSDJUYIZ-LBPRGKRZSA-N 1 0 251.374 2.073 10 0 CEAERO CC[C@@H]([NH2+]C)c1ccn(CC(=O)N[C@@H](C)CC)c1 ZINC000091816612 180263435 /nfs/dbraw/zinc/26/34/35/180263435.db2.gz DVSFPDXHHPSWKD-WCQYABFASA-N 1 0 251.374 2.073 10 0 CEAERO CCC[C@@H]([NH2+]C)c1ccn(CCOCCOC)c1 ZINC000091821933 180263719 /nfs/dbraw/zinc/26/37/19/180263719.db2.gz SWFBDIBROXALQK-CQSZACIVSA-N 1 0 254.374 2.212 10 0 CEAERO CCC[C@@H]([NH3+])c1ccn(CC(=O)N[C@@H](C)CC)c1 ZINC000091820729 180264164 /nfs/dbraw/zinc/26/41/64/180264164.db2.gz RZKMSXNTQRIGFX-WCQYABFASA-N 1 0 251.374 2.203 10 0 CEAERO C[NH2+][C@@H](c1ccn(CCCC(=O)OC)c1)C(C)C ZINC000091826797 180264666 /nfs/dbraw/zinc/26/46/66/180264666.db2.gz GLIYVVBFRFHVGM-CQSZACIVSA-N 1 0 252.358 2.358 10 0 CEAERO CC[NH2+][C@@H](c1ccn(CCCC(=O)NC)c1)C(C)C ZINC000091827605 180264751 /nfs/dbraw/zinc/26/47/51/180264751.db2.gz SLZLHGDRCWJIHI-OAHLLOKOSA-N 1 0 265.401 2.321 10 0 CEAERO CC[C@H](C)NC(=O)Cn1ccc([C@@H]([NH2+]C)C(C)C)c1 ZINC000091826618 180265242 /nfs/dbraw/zinc/26/52/42/180265242.db2.gz FGGXYBDCJGYCNM-WFASDCNBSA-N 1 0 265.401 2.319 10 0 CEAERO CCC[NH2+][C@H](c1ccn(CC(=O)OC)c1)C(C)C ZINC000091828152 180265281 /nfs/dbraw/zinc/26/52/81/180265281.db2.gz JHLKKYIHZWWVFR-AWEZNQCLSA-N 1 0 252.358 2.358 10 0 CEAERO CC[NH2+][C@@H](c1ccn(CCC(=O)N(C)C)c1)C1CC1 ZINC000091837857 180267755 /nfs/dbraw/zinc/26/77/55/180267755.db2.gz AMZNKTSAIVOAIY-OAHLLOKOSA-N 1 0 263.385 2.027 10 0 CEAERO CCN(C1CCC([NH3+])CC1)S(=O)(=O)c1cccc(C)c1 ZINC000091850556 180271709 /nfs/dbraw/zinc/27/17/09/180271709.db2.gz BLTGSYRURUOKLK-UHFFFAOYSA-N 1 0 296.436 2.276 10 0 CEAERO CCN(C(=O)Cc1ccccc1)C1CCC([NH3+])CC1 ZINC000091850371 180271930 /nfs/dbraw/zinc/27/19/30/180271930.db2.gz APHHYRPZPRNOFF-UHFFFAOYSA-N 1 0 260.381 2.348 10 0 CEAERO C[C@]1(c2nc3ccc(F)cc3s2)COC[C@@H]1[NH3+] ZINC000091939625 180289048 /nfs/dbraw/zinc/28/90/48/180289048.db2.gz SAMKPPORSFOBGZ-JQWIXIFHSA-N 1 0 252.314 2.051 10 0 CEAERO CO[C@H]1C[NH2+][C@H](c2nc3ccc(F)cc3s2)C1 ZINC000091939641 180289059 /nfs/dbraw/zinc/28/90/59/180289059.db2.gz GMYGYEIFAXETHE-SCZZXKLOSA-N 1 0 252.314 2.485 10 0 CEAERO C[C@@]1(c2nc3ccc(F)cc3s2)COC[C@H]1[NH3+] ZINC000091939628 180289490 /nfs/dbraw/zinc/28/94/90/180289490.db2.gz SAMKPPORSFOBGZ-ZYHUDNBSSA-N 1 0 252.314 2.051 10 0 CEAERO C[NH2+][C@H]1COC[C@H]1c1nc2ccc(F)cc2s1 ZINC000091939596 180289539 /nfs/dbraw/zinc/28/95/39/180289539.db2.gz HGKBDDCIYPPCOK-SCZZXKLOSA-N 1 0 252.314 2.137 10 0 CEAERO Cc1cccc(O)c1C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000624634362 350326867 /nfs/dbraw/zinc/32/68/67/350326867.db2.gz RPQPFTGYPPYBFE-ZDUSSCGKSA-N 1 0 278.396 2.407 10 0 CEAERO CC[NH2+]Cc1ncoc1-c1ccc(OC)c(OC)c1OC ZINC000091957813 180292019 /nfs/dbraw/zinc/29/20/19/180292019.db2.gz RXTPRZZCOQXCIQ-UHFFFAOYSA-N 1 0 292.335 2.477 10 0 CEAERO [NH3+]Cc1nc(N2CCOCC2)sc1-c1ccccc1 ZINC000091960240 180292618 /nfs/dbraw/zinc/29/26/18/180292618.db2.gz LPVZTDAHJSWXAS-UHFFFAOYSA-N 1 0 275.377 2.105 10 0 CEAERO CCC1CCC(C[NH3+])(N(C)C(=O)N2CCCC2)CC1 ZINC000091963121 180293067 /nfs/dbraw/zinc/29/30/67/180293067.db2.gz KSTFFLBERNZFDT-UHFFFAOYSA-N 1 0 267.417 2.432 10 0 CEAERO CCC[NH2+]C1CCC(N(C)C(=O)N2CCCC2)CC1 ZINC000091962709 180293157 /nfs/dbraw/zinc/29/31/57/180293157.db2.gz XXGZHLKHBGNKLG-UHFFFAOYSA-N 1 0 267.417 2.445 10 0 CEAERO CCN(C(=O)N1CCCC1)[C@]1(C[NH3+])CCC[C@H](C)C1 ZINC000091963102 180293310 /nfs/dbraw/zinc/29/33/10/180293310.db2.gz LWHVHJSUAOGYTJ-DZGCQCFKSA-N 1 0 267.417 2.432 10 0 CEAERO [NH3+]CCOc1ccc(NC(=O)N2CCCCC2)cc1 ZINC000091969024 180294383 /nfs/dbraw/zinc/29/43/83/180294383.db2.gz XDWZFNVDIMLWHF-UHFFFAOYSA-N 1 0 263.341 2.042 10 0 CEAERO O=C(N1CCC[C@@H]1[C@@H]1CCC[NH2+]C1)N1CCCCC1 ZINC000091969185 180294542 /nfs/dbraw/zinc/29/45/42/180294542.db2.gz HCJDBVUFHKSSOI-ZIAGYGMSSA-N 1 0 265.401 2.056 10 0 CEAERO O=C(Nc1cccc2c1CC[NH2+]C2)N1CCCCC1 ZINC000091969180 180294643 /nfs/dbraw/zinc/29/46/43/180294643.db2.gz MYZLIZUGPUEMGI-UHFFFAOYSA-N 1 0 259.353 2.350 10 0 CEAERO CCCOc1cc(NC2CCC([NH2+]C)CC2)ncn1 ZINC000091873567 180278229 /nfs/dbraw/zinc/27/82/29/180278229.db2.gz UUVUNWWQLBCGOZ-UHFFFAOYSA-N 1 0 264.373 2.208 10 0 CEAERO CS(=O)(=O)CCC[C@]1(C2CC2)CCCCC[NH2+]1 ZINC000091875319 180278647 /nfs/dbraw/zinc/27/86/47/180278647.db2.gz FODVYWHINQEOJK-ZDUSSCGKSA-N 1 0 259.415 2.124 10 0 CEAERO CC(C)Cn1ncnc1C[C@@]1(C)CCCCC[NH2+]1 ZINC000091873968 180278709 /nfs/dbraw/zinc/27/87/09/180278709.db2.gz XEFSBAFWVHMSHM-CQSZACIVSA-N 1 0 250.390 2.399 10 0 CEAERO [NH3+]CC1(C2(O)Cc3ccccc3C2)Cc2ccccc2C1 ZINC000091905372 180283765 /nfs/dbraw/zinc/28/37/65/180283765.db2.gz QYSBOXIJHOMHAX-UHFFFAOYSA-N 1 0 279.383 2.260 10 0 CEAERO C[C@H]1CC(C)(C)C[C@@](O)(C2(C[NH3+])CCOCC2)C1 ZINC000091904862 180284372 /nfs/dbraw/zinc/28/43/72/180284372.db2.gz FFNZPKXFEMPBSY-SWLSCSKDSA-N 1 0 255.402 2.319 10 0 CEAERO CCCC1CCC(C[NH3+])([C@H](O)c2cnn(C)c2)CC1 ZINC000091910035 180284642 /nfs/dbraw/zinc/28/46/42/180284642.db2.gz RBMLUXWJOCMYMJ-HNFVBEJKSA-N 1 0 265.401 2.389 10 0 CEAERO CCCC1CCC(C[NH3+])([C@@H](O)c2cnn(C)c2)CC1 ZINC000091910036 180284857 /nfs/dbraw/zinc/28/48/57/180284857.db2.gz RBMLUXWJOCMYMJ-BLZCZZARSA-N 1 0 265.401 2.389 10 0 CEAERO [NH3+]CC1([C@H](O)c2ccc(Cl)c(F)c2)CCOCC1 ZINC000091912734 180285325 /nfs/dbraw/zinc/28/53/25/180285325.db2.gz MCRSEXRRSDTOAL-GFCCVEGCSA-N 1 0 273.735 2.268 10 0 CEAERO CC1(C)C[C@](O)([C@]2(C[NH3+])CCc3ccccc3C2)CCO1 ZINC000091918955 180286601 /nfs/dbraw/zinc/28/66/01/180286601.db2.gz MJJRMLWQYVOPNM-MSOLQXFVSA-N 1 0 289.419 2.441 10 0 CEAERO CC(C)[C@H]1C[C@](O)(C2(C[NH3+])CCCCC2)CCO1 ZINC000091918819 180286708 /nfs/dbraw/zinc/28/67/08/180286708.db2.gz OOKGIGPUSVYAES-HIFRSBDPSA-N 1 0 255.402 2.462 10 0 CEAERO CCCn1cncc1[C@@H](O)[C@@]1(C[NH3+])CCc2ccccc21 ZINC000091926352 180287241 /nfs/dbraw/zinc/28/72/41/180287241.db2.gz QKJCZZXURQAOOW-IAGOWNOFSA-N 1 0 285.391 2.169 10 0 CEAERO CCn1cncc1[C@H](O)[C@]1(C[NH3+])CCCc2ccccc21 ZINC000091926161 180287456 /nfs/dbraw/zinc/28/74/56/180287456.db2.gz POMMJZBAZYRXIS-IRXDYDNUSA-N 1 0 285.391 2.169 10 0 CEAERO CCCC1CCC(C[NH3+])(OC[C@H]2CN(CC)CCO2)CC1 ZINC000092050594 180311721 /nfs/dbraw/zinc/31/17/21/180311721.db2.gz FQLKIPHEXSATGU-AQFXKWCLSA-N 1 0 298.471 2.412 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@@H](C)Cc2ccc(F)cc2)C1 ZINC000092052725 180313058 /nfs/dbraw/zinc/31/30/58/180313058.db2.gz FKLODEZIMFNJPX-BBRMVZONSA-N 1 0 280.387 2.067 10 0 CEAERO CCN1CCO[C@@H](COc2ccc(C)cc2[C@@H](C)[NH3+])C1 ZINC000092051181 180313096 /nfs/dbraw/zinc/31/30/96/180313096.db2.gz RLIOIKHTJPMQBB-ZIAGYGMSSA-N 1 0 278.396 2.114 10 0 CEAERO CC[C@@H]([NH2+]C)c1ccccc1OC[C@H]1CN(C)CCO1 ZINC000092054148 180313454 /nfs/dbraw/zinc/31/34/54/180313454.db2.gz KPAVYRZLQPJUQG-UKRRQHHQSA-N 1 0 278.396 2.067 10 0 CEAERO CC[C@H]([NH2+]C)c1ccc(OC[C@@H]2CN(C)CCO2)cc1 ZINC000092054249 180314144 /nfs/dbraw/zinc/31/41/44/180314144.db2.gz DVTNYRQJKJMUNG-HOTGVXAUSA-N 1 0 278.396 2.067 10 0 CEAERO O=C(NCC[C@H]1CCCC[NH2+]1)N1CCCCCC1 ZINC000091971185 180295196 /nfs/dbraw/zinc/29/51/96/180295196.db2.gz WUXFUGNSCUKOPA-CYBMUJFWSA-N 1 0 253.390 2.104 10 0 CEAERO O=C(N1CCC([C@@H]2CCC[NH2+]2)CC1)N1CCCCCC1 ZINC000091971614 180295508 /nfs/dbraw/zinc/29/55/08/180295508.db2.gz PLZZBQQSCDBMJY-HNNXBMFYSA-N 1 0 279.428 2.446 10 0 CEAERO NC(=[NH2+])c1ccc(NC(=O)N2CCCCCC2)cc1 ZINC000091971987 180295669 /nfs/dbraw/zinc/29/56/69/180295669.db2.gz YULHGSFSHPRLSX-UHFFFAOYSA-N 1 0 260.341 2.379 10 0 CEAERO CCCN(C(=O)N1CCC(C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000091973083 180296460 /nfs/dbraw/zinc/29/64/60/180296460.db2.gz WRJUOYFRAKCWQA-CQSZACIVSA-N 1 0 267.417 2.302 10 0 CEAERO C[C@@H]([NH3+])c1csc(NC(=O)N2CCC(C)CC2)n1 ZINC000091973018 180296658 /nfs/dbraw/zinc/29/66/58/180296658.db2.gz DPZQQHCFBWYWCS-SECBINFHSA-N 1 0 268.386 2.427 10 0 CEAERO C[C@@H]1CCCN(C(=O)N(C)[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000091991542 180299927 /nfs/dbraw/zinc/29/99/27/180299927.db2.gz QRNVPRLIRBUNNP-MGPQQGTHSA-N 1 0 267.417 2.288 10 0 CEAERO CC1CCN(C(=O)N[C@@H]2c3ccccc3C[C@@H]2[NH3+])CC1 ZINC000091993157 180300284 /nfs/dbraw/zinc/30/02/84/180300284.db2.gz HSLQLURAHGSVQR-LSDHHAIUSA-N 1 0 273.380 2.053 10 0 CEAERO C[C@H]1CCCN(C(=O)Nc2ccc(C(N)=[NH2+])cc2)C1 ZINC000091993277 180300515 /nfs/dbraw/zinc/30/05/15/180300515.db2.gz XLYOZRWFCHQBGO-JTQLQIEISA-N 1 0 260.341 2.234 10 0 CEAERO Cc1ccc(OCC(=O)Nc2ccccc2F)c(C[NH3+])n1 ZINC000091993767 180301043 /nfs/dbraw/zinc/30/10/43/180301043.db2.gz GYANLSRKKRLTRB-UHFFFAOYSA-N 1 0 289.310 2.005 10 0 CEAERO CC[NH2+]Cc1nc(C)ccc1O[C@H]1CCCC[C@@H]1O ZINC000091994812 180301434 /nfs/dbraw/zinc/30/14/34/180301434.db2.gz VZRHPOBSBRXVSN-ZFWWWQNUSA-N 1 0 264.369 2.182 10 0 CEAERO CCC[NH2+]Cc1nc(C)ccc1OCC(=O)OC(C)C ZINC000091995275 180302495 /nfs/dbraw/zinc/30/24/95/180302495.db2.gz CMZSCQGVUKURMV-UHFFFAOYSA-N 1 0 280.368 2.220 10 0 CEAERO Cc1cc(CO)ccc1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092001983 180304887 /nfs/dbraw/zinc/30/48/87/180304887.db2.gz LCSHIBKKCWLJPV-CABCVRRESA-N 1 0 260.381 2.160 10 0 CEAERO Cc1ccc(N)c(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000092005544 180305323 /nfs/dbraw/zinc/30/53/23/180305323.db2.gz LPHIEVKATNZUEM-CABCVRRESA-N 1 0 259.397 2.246 10 0 CEAERO C[C@H](C[NH2+]Cc1ccc(-n2cccn2)cc1)N1CCCC1 ZINC000092021876 180308139 /nfs/dbraw/zinc/30/81/39/180308139.db2.gz XKVDCBZXCABFHL-OAHLLOKOSA-N 1 0 284.407 2.446 10 0 CEAERO CCC[NH2+][C@H](C=C(C)C)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000092128603 180328685 /nfs/dbraw/zinc/32/86/85/180328685.db2.gz KMBRHOGOBDLUDP-KFWWJZLASA-N 1 0 252.402 2.184 10 0 CEAERO Cc1ncc(CNC[C@H]2CC[N@@H+](C)C2)n1-c1ccccc1 ZINC000092128858 180329998 /nfs/dbraw/zinc/32/99/98/180329998.db2.gz LQOQWMNKLRMCFG-OAHLLOKOSA-N 1 0 284.407 2.222 10 0 CEAERO CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)C[NH2+]C ZINC000092132634 180330522 /nfs/dbraw/zinc/33/05/22/180330522.db2.gz BMUWEOFMAKRNAI-NEPJUHHUSA-N 1 0 291.395 2.009 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)Nc1cc(Cl)ccc1-n1cccn1 ZINC000092133946 180331734 /nfs/dbraw/zinc/33/17/34/180331734.db2.gz KQYRPROFDHLPDT-SNVBAGLBSA-N 1 0 292.770 2.320 10 0 CEAERO COC(C)(C)c1noc([C@@]2([NH3+])CCC[C@@H](C)C2)n1 ZINC000092137770 180333890 /nfs/dbraw/zinc/33/38/90/180333890.db2.gz GXPQHTYVPQTJSV-NOZJJQNGSA-N 1 0 253.346 2.315 10 0 CEAERO CC(C)=CC[N@@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000105801129 186072934 /nfs/dbraw/zinc/07/29/34/186072934.db2.gz QIAVMZLJLUBKEO-UHFFFAOYSA-N 1 0 260.385 2.263 10 0 CEAERO CC[NH2+][C@H](C)[C@H](CC)c1nc(C(C)(C)OC)no1 ZINC000092141461 180334495 /nfs/dbraw/zinc/33/44/95/180334495.db2.gz NMGHLZLOSIQPLN-ZJUUUORDSA-N 1 0 255.362 2.443 10 0 CEAERO C[C@@H]1C[NH+](CCC(=O)Nc2ccc(F)c(N)c2)C[C@H]1C ZINC000092080564 180318608 /nfs/dbraw/zinc/31/86/08/180318608.db2.gz BAMGWINVPBFNOH-GHMZBOCLSA-N 1 0 279.359 2.324 10 0 CEAERO Cc1c(N)cccc1NC(=O)[C@@H](C)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000092080721 180318744 /nfs/dbraw/zinc/31/87/44/180318744.db2.gz GLUSFGJNFSTTEB-NTZNESFSSA-N 1 0 275.396 2.492 10 0 CEAERO COc1ccc(N)cc1NC(=O)CC[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000092081252 180319356 /nfs/dbraw/zinc/31/93/56/180319356.db2.gz XXNATQXTGJYVLH-TXEJJXNPSA-N 1 0 291.395 2.194 10 0 CEAERO C[C@H]1C[N@H+](CC(=O)Nc2ccc(Cl)c(N)c2)C[C@H]1C ZINC000092080952 180319743 /nfs/dbraw/zinc/31/97/43/180319743.db2.gz ADRUKGNCRBWESZ-AOOOYVTPSA-N 1 0 281.787 2.449 10 0 CEAERO C[C@H]1CN(CC[NH2+]CCc2cccs2)C[C@@H]1C ZINC000092089536 180321223 /nfs/dbraw/zinc/32/12/23/180321223.db2.gz RRCOOTFPYKKNBN-STQMWFEESA-N 1 0 252.427 2.468 10 0 CEAERO CC[C@@H]([NH3+])c1cccc(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)c1 ZINC000092091256 180322066 /nfs/dbraw/zinc/32/20/66/180322066.db2.gz XWPPTJHROSEVSK-TYNCELHUSA-N 1 0 296.436 2.373 10 0 CEAERO CCN(CC)c1ccc(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)cc1 ZINC000092202580 180343060 /nfs/dbraw/zinc/34/30/60/180343060.db2.gz XHQWBOWSJZYSOQ-QWHCGFSZSA-N 1 0 273.380 2.375 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)Nc2cccc(OC(F)F)c2)C1 ZINC000092203047 180343534 /nfs/dbraw/zinc/34/35/34/180343534.db2.gz SUVNBJLPHRRXEQ-IUCAKERBSA-N 1 0 268.263 2.130 10 0 CEAERO CCN(Cc1ccc(OC)c(F)c1)C(=O)[C@@H]1C=C[C@H]([NH3+])C1 ZINC000092204536 180343647 /nfs/dbraw/zinc/34/36/47/180343647.db2.gz OEZFWBODNVHXSV-OLZOCXBDSA-N 1 0 292.354 2.086 10 0 CEAERO Cn1cccc1[C@@H]1CCCCCN1C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092204623 180343773 /nfs/dbraw/zinc/34/37/73/180343773.db2.gz ZHSGXGYAAKCCRK-FMKPAKJESA-N 1 0 287.407 2.372 10 0 CEAERO CCOc1ccc(NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)c(C)c1 ZINC000092204268 180343839 /nfs/dbraw/zinc/34/38/39/180343839.db2.gz WHFKKQKHKNQHRE-VXGBXAGGSA-N 1 0 260.337 2.236 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)N(Cc2ccco2)C2CCCC2)C1 ZINC000092204932 180344110 /nfs/dbraw/zinc/34/41/10/180344110.db2.gz YSYBLWDYPSDBCA-OLZOCXBDSA-N 1 0 274.364 2.454 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)Nc2ccc3ncccc3c2)C1 ZINC000092207359 180344214 /nfs/dbraw/zinc/34/42/14/180344214.db2.gz IQSZBQFOWBZORB-RYUDHWBXSA-N 1 0 253.305 2.077 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)NCc2ccccc2C(F)(F)F)C1 ZINC000092207424 180344308 /nfs/dbraw/zinc/34/43/08/180344308.db2.gz PABCQQUBYNQMHP-KOLCDFICSA-N 1 0 284.281 2.225 10 0 CEAERO Cc1cccc(Cl)c1NC(=O)[C@H]1C=C[C@H]([NH3+])C1 ZINC000092208662 180344843 /nfs/dbraw/zinc/34/48/43/180344843.db2.gz BJMQMLBHLKYFRR-UWVGGRQHSA-N 1 0 250.729 2.490 10 0 CEAERO CC[NH2+]Cc1cnc(C)n1C[C@@H]1COc2ccccc21 ZINC000092306746 180360177 /nfs/dbraw/zinc/36/01/77/180360177.db2.gz VYFSMEHYNYDPQJ-CYBMUJFWSA-N 1 0 271.364 2.477 10 0 CEAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)c1ccccc1SC ZINC000092232575 180349023 /nfs/dbraw/zinc/34/90/23/180349023.db2.gz VESBIIMZSUMJQV-MRVWCRGKSA-N 1 0 290.432 2.479 10 0 CEAERO Cc1cccc(C[N@H+]2CCCN(Cc3cnn(C)c3)CC2)c1 ZINC000105869292 186080808 /nfs/dbraw/zinc/08/08/08/186080808.db2.gz MTPJNTYFISPFQX-UHFFFAOYSA-N 1 0 298.434 2.436 10 0 CEAERO C[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(=O)[C@@H]1CSc2ccccc21 ZINC000092239093 180350346 /nfs/dbraw/zinc/35/03/46/180350346.db2.gz IOFXKCYMUDFHIU-OXHZDVMGSA-N 1 0 288.416 2.085 10 0 CEAERO CCC[C@H](C[NH3+])NC(=O)[C@@H]1CSc2ccccc21 ZINC000092239649 180350815 /nfs/dbraw/zinc/35/08/15/180350815.db2.gz NSZYXWBDOHDLGR-ZYHUDNBSSA-N 1 0 264.394 2.120 10 0 CEAERO C[C@H](CN1CCOCC1)[NH2+]CCSc1ccccc1 ZINC000092243289 180351493 /nfs/dbraw/zinc/35/14/93/180351493.db2.gz LFINNVYPPQELIO-CQSZACIVSA-N 1 0 280.437 2.089 10 0 CEAERO C[N@H+](CCC(N)=S)C[C@@H]1Cc2ccccc2S1 ZINC000092260981 180354234 /nfs/dbraw/zinc/35/42/34/180354234.db2.gz CMAZFTVLNWHKGR-NSHDSACASA-N 1 0 266.435 2.311 10 0 CEAERO CC(C)[N@H+](CCO)C[C@H]1Cc2ccccc2S1 ZINC000092270236 180355480 /nfs/dbraw/zinc/35/54/80/180355480.db2.gz SFTAJNZUQIMTEP-CYBMUJFWSA-N 1 0 251.395 2.406 10 0 CEAERO COC(=O)[C@H](C)C[N@H+](C)C[C@@H]1Cc2ccccc2S1 ZINC000092270224 180356020 /nfs/dbraw/zinc/35/60/20/180356020.db2.gz KRHUJAPZQMZGSC-YPMHNXCESA-N 1 0 279.405 2.444 10 0 CEAERO c1ccc2c(c1)C[C@H](CN1CC[NH2+]C[C@@H]1C1CC1)S2 ZINC000092272705 180356221 /nfs/dbraw/zinc/35/62/21/180356221.db2.gz GIOAQOMIPUGMFN-HUUCEWRRSA-N 1 0 274.433 2.387 10 0 CEAERO C[C@@H]1CC[NH2+]CCN1C[C@@H]1Cc2ccccc2S1 ZINC000092273138 180356513 /nfs/dbraw/zinc/35/65/13/180356513.db2.gz IZSROBPADCLCDZ-OCCSQVGLSA-N 1 0 262.422 2.387 10 0 CEAERO OCC1(C[C@@H]2Cc3ccccc3S2)CC[NH2+]CC1 ZINC000092273873 180356586 /nfs/dbraw/zinc/35/65/86/180356586.db2.gz YJQRBGHDRTYEQJ-ZDUSSCGKSA-N 1 0 263.406 2.456 10 0 CEAERO [NH3+][C@H](C[C@@H]1CSc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000092297025 180358413 /nfs/dbraw/zinc/35/84/13/180358413.db2.gz KLFYOHYDPWQYJY-NQBHXWOUSA-N 1 0 297.445 2.028 10 0 CEAERO Cc1ccc(OC[C@H]2COc3ccccc32)c(C[NH3+])n1 ZINC000092298720 180358696 /nfs/dbraw/zinc/35/86/96/180358696.db2.gz RBFJEMYJNOQTGZ-GFCCVEGCSA-N 1 0 270.332 2.404 10 0 CEAERO COCCC[N@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000105874593 186081827 /nfs/dbraw/zinc/08/18/27/186081827.db2.gz OZWMUJOBDOMNDG-CQSZACIVSA-N 1 0 298.452 2.090 10 0 CEAERO NC(=S)C1CC[NH+](C[C@@H]2COc3ccccc32)CC1 ZINC000092301822 180359469 /nfs/dbraw/zinc/35/94/69/180359469.db2.gz BKACVWYPNKUVMC-GFCCVEGCSA-N 1 0 276.405 2.161 10 0 CEAERO C[C@@H]1CCC[C@@H](C[NH3+])N1C[C@@H]1COc2ccccc21 ZINC000092302546 180359654 /nfs/dbraw/zinc/35/96/54/180359654.db2.gz QNMQHZTZOZQTOR-MCIONIFRSA-N 1 0 260.381 2.364 10 0 CEAERO Fc1ccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000105883023 186083415 /nfs/dbraw/zinc/08/34/15/186083415.db2.gz JEKYORSCXIYJJN-AWEZNQCLSA-N 1 0 274.343 2.329 10 0 CEAERO CC(C)Cn1c2ccc(C[NH3+])cc2nc1CCCCO ZINC000092171459 180336274 /nfs/dbraw/zinc/33/62/74/180336274.db2.gz MGBRLPVXLWOJHF-UHFFFAOYSA-N 1 0 275.396 2.466 10 0 CEAERO CC(C)CSCc1noc([C@@H]2C=C[C@@H]([NH3+])C2)n1 ZINC000092181989 180338819 /nfs/dbraw/zinc/33/88/19/180338819.db2.gz AYQNLGCRNLBMAV-NXEZZACHSA-N 1 0 253.371 2.330 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](c2nc([C@@H]3Cc4ccccc43)no2)C1 ZINC000092181961 180339066 /nfs/dbraw/zinc/33/90/66/180339066.db2.gz UUHXHCKKRKTTEQ-DMDPSCGWSA-N 1 0 253.305 2.128 10 0 CEAERO OC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1COc2ccccc21 ZINC000092305739 180360662 /nfs/dbraw/zinc/36/06/62/180360662.db2.gz AWCSZZPNYUYYJX-HABKJSAYSA-N 1 0 259.349 2.150 10 0 CEAERO Cc1cnn(CC[NH2+]Cc2c[nH]nc2-c2ccccc2)c1 ZINC000105908649 186087795 /nfs/dbraw/zinc/08/77/95/186087795.db2.gz GHFFOJMIDFYSJV-UHFFFAOYSA-N 1 0 281.363 2.371 10 0 CEAERO Cc1ccc(N2CCC[N@@H+](CCCOC(C)C)CC2)nn1 ZINC000105909391 186088007 /nfs/dbraw/zinc/08/80/07/186088007.db2.gz AVYFKMYEMWAIBR-UHFFFAOYSA-N 1 0 292.427 2.112 10 0 CEAERO CCC[NH2+]CCc1c(CC)nc(CCOC)nc1CC ZINC000092318733 180361611 /nfs/dbraw/zinc/36/16/11/180361611.db2.gz NRUVDADSHIBSPQ-UHFFFAOYSA-N 1 0 279.428 2.332 10 0 CEAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](C/C=C/Cl)C2)n1 ZINC000105920004 186090444 /nfs/dbraw/zinc/09/04/44/186090444.db2.gz OQMGDCPFPSUVBV-DIECRNLCSA-N 1 0 268.792 2.359 10 0 CEAERO CCc1nccn1[C@@H]1CCC[N@H+](CCCCCO)C1 ZINC000105922504 186090572 /nfs/dbraw/zinc/09/05/72/186090572.db2.gz DKDAYOGUUGZRES-CQSZACIVSA-N 1 0 265.401 2.245 10 0 CEAERO CCc1nc(CN(C)C)nc(CC)c1CC[NH2+]C(C)C ZINC000092318754 180361758 /nfs/dbraw/zinc/36/17/58/180361758.db2.gz YFLJPVBKMWBWQW-UHFFFAOYSA-N 1 0 278.444 2.204 10 0 CEAERO CSc1ccc(CN2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000105926787 186092532 /nfs/dbraw/zinc/09/25/32/186092532.db2.gz HLUDOWVSHIZESA-AWEZNQCLSA-N 1 0 280.437 2.171 10 0 CEAERO CC[NH2+][C@@H]1CCN(Cc2c(C)noc2C)C[C@@H]1C ZINC000092339777 180365341 /nfs/dbraw/zinc/36/53/41/180365341.db2.gz POTBQHCBUQUZNC-IINYFYTJSA-N 1 0 251.374 2.111 10 0 CEAERO Cc1noc(C)c1[C@H](C)N1CCC[C@H]([NH2+]C(C)C)C1=O ZINC000092342018 180365637 /nfs/dbraw/zinc/36/56/37/180365637.db2.gz LGTGIYZEVXNXRN-AAEUAGOBSA-N 1 0 279.384 2.341 10 0 CEAERO Cc1nn(C)c(C)c1CNC1=[NH+]C[C@H](C2CC2)S1 ZINC000092341162 180366124 /nfs/dbraw/zinc/36/61/24/180366124.db2.gz BABXCVCLXCXDMH-GFCCVEGCSA-N 1 0 264.398 2.008 10 0 CEAERO Cc1noc(C)c1CN1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000092342672 180366164 /nfs/dbraw/zinc/36/61/64/180366164.db2.gz MDZFUTKSVSISCA-MRXNPFEDSA-N 1 0 271.364 2.438 10 0 CEAERO Cc1noc(C)c1CN1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC000092342695 180366381 /nfs/dbraw/zinc/36/63/81/180366381.db2.gz SCMCZSPFKKODDS-MRXNPFEDSA-N 1 0 285.391 2.308 10 0 CEAERO C[C@@H](C(N)=S)[N@H+](C)Cc1ccnc2ccccc12 ZINC000092347803 180366907 /nfs/dbraw/zinc/36/69/07/180366907.db2.gz XKNRTUUUTZUMPK-JTQLQIEISA-N 1 0 259.378 2.341 10 0 CEAERO Cc1cc(NS(=O)(=O)c2cc(N)cc(C)c2C)cc[nH+]1 ZINC000092348781 180366961 /nfs/dbraw/zinc/36/69/61/180366961.db2.gz FNOGNGXUIKOAGS-UHFFFAOYSA-N 1 0 291.376 2.390 10 0 CEAERO COc1ccc2c(c1)[C@@]([NH3+])(Cc1cnn(C)c1)CCC2 ZINC000092367352 180369925 /nfs/dbraw/zinc/36/99/25/180369925.db2.gz GVFZZDYHIRHVNM-INIZCTEOSA-N 1 0 271.364 2.162 10 0 CEAERO NNc1cccc(CN2CC[C@H]3CCCC[C@@H]3C2)[nH+]1 ZINC000092369245 180370170 /nfs/dbraw/zinc/37/01/70/180370170.db2.gz QHWPFTCKJVRFJV-CHWSQXEVSA-N 1 0 260.385 2.379 10 0 CEAERO CCCNc1cccc(CN2CCC[C@@H]2C[NH+](C)C)n1 ZINC000092370287 180370333 /nfs/dbraw/zinc/37/03/33/180370333.db2.gz UEFYOJPRZYPKIB-OAHLLOKOSA-N 1 0 276.428 2.430 10 0 CEAERO Cc1nc(SCc2cccc(NN)[nH+]2)nc(C)c1C ZINC000092372157 180370680 /nfs/dbraw/zinc/37/06/80/180370680.db2.gz FVPXFBLEUBWPGX-UHFFFAOYSA-N 1 0 275.381 2.375 10 0 CEAERO COc1ccc2c(c1)[C@H](O)[C@@H]([N@@H+]1CCOC(C)(C)C1)CC2 ZINC000092387811 180374824 /nfs/dbraw/zinc/37/48/24/180374824.db2.gz LQYFRHGLCFDHFW-HOTGVXAUSA-N 1 0 291.391 2.154 10 0 CEAERO CC(C)[C@H](CO)[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000092393180 180376388 /nfs/dbraw/zinc/37/63/88/180376388.db2.gz VNCUZPDYSOXRRH-YPMHNXCESA-N 1 0 261.369 2.241 10 0 CEAERO OC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Cl)ccn1 ZINC000092416786 180380998 /nfs/dbraw/zinc/38/09/98/180380998.db2.gz LETSIUDPYSQMFR-FUNVUKJBSA-N 1 0 252.745 2.223 10 0 CEAERO CCCNc1cc[nH+]c(CN2CCC[C@H]2C(=O)OC)c1 ZINC000092418259 180381175 /nfs/dbraw/zinc/38/11/75/180381175.db2.gz MGYLVXHVNJYFSH-AWEZNQCLSA-N 1 0 277.368 2.041 10 0 CEAERO C[C@@H]1CC[C@H](C[NH3+])CN1Cc1cc(Cl)ccn1 ZINC000092417266 180381216 /nfs/dbraw/zinc/38/12/16/180381216.db2.gz MGZCCOJAHSSJQF-GHMZBOCLSA-N 1 0 253.777 2.294 10 0 CEAERO CCNc1cc[nH+]c(CN2CCC(C(=O)OCC)CC2)c1 ZINC000092418079 180381266 /nfs/dbraw/zinc/38/12/66/180381266.db2.gz LCVVISQDHBYMSA-UHFFFAOYSA-N 1 0 291.395 2.289 10 0 CEAERO CCCNc1cc[nH+]c(CN2CCN(C3CC3)CC2)c1 ZINC000092418909 180382147 /nfs/dbraw/zinc/38/21/47/180382147.db2.gz AZWXIHDIPKGWPL-UHFFFAOYSA-N 1 0 274.412 2.184 10 0 CEAERO Nc1cc[nH+]c(CN2CCC(C(F)(F)F)CC2)c1 ZINC000092419396 180382751 /nfs/dbraw/zinc/38/27/51/180382751.db2.gz HAGANDYCLPEFHI-UHFFFAOYSA-N 1 0 259.275 2.438 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@H](n1nc(C)nc1C)CC2 ZINC000092386138 180373620 /nfs/dbraw/zinc/37/36/20/180373620.db2.gz LYIBOWQSFVURET-CABCVRRESA-N 1 0 272.352 2.091 10 0 CEAERO C[NH2+][C@H]1c2cc(OC)ccc2CC[C@H]1n1nc(C)nc1C ZINC000092386147 180373697 /nfs/dbraw/zinc/37/36/97/180373697.db2.gz PTUAGONYMLHAIR-CVEARBPZSA-N 1 0 286.379 2.352 10 0 CEAERO CC(C)(C)[NH2+]CC(=O)Nc1cc2c(cc1Cl)NC(=O)C2 ZINC000092460670 180389561 /nfs/dbraw/zinc/38/95/61/180389561.db2.gz NBZGVMDZESZKRM-UHFFFAOYSA-N 1 0 295.770 2.161 10 0 CEAERO CC(C)(C)[NH2+]CC(=O)Nc1c(F)cc(F)cc1F ZINC000092461491 180390207 /nfs/dbraw/zinc/39/02/07/180390207.db2.gz SYJGVURLRKMNBY-UHFFFAOYSA-N 1 0 260.259 2.431 10 0 CEAERO C[C@H](O)c1ccccc1NC(=O)C[NH2+]C(C)(C)C ZINC000092461065 180390392 /nfs/dbraw/zinc/39/03/92/180390392.db2.gz KDQIGCUVSNUGFA-JTQLQIEISA-N 1 0 250.342 2.067 10 0 CEAERO OCc1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2CO)cc1 ZINC000107800160 186191169 /nfs/dbraw/zinc/19/11/69/186191169.db2.gz QQCGORPROLCJSX-HZPDHXFCSA-N 1 0 263.381 2.067 10 0 CEAERO COc1ccc(-c2cn3c(n2)[C@@H](C)C[C@@H]([NH3+])C3)cc1 ZINC000107827629 186194430 /nfs/dbraw/zinc/19/44/30/186194430.db2.gz NOXGJMYEZJTFPH-CMPLNLGQSA-N 1 0 257.337 2.393 10 0 CEAERO CCc1ccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2CC(O)C3)cc1 ZINC000107923144 186197601 /nfs/dbraw/zinc/19/76/01/186197601.db2.gz YTPYYQFWEKHMSL-XYPWUTKMSA-N 1 0 288.391 2.175 10 0 CEAERO Cc1ccc(C)c(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2CC(O)C3)c1 ZINC000107923626 186198247 /nfs/dbraw/zinc/19/82/47/186198247.db2.gz HOJLAMIWTPACDC-YIONKMFJSA-N 1 0 288.391 2.230 10 0 CEAERO COc1cc(C)c(C[N@H+]2[C@@H]3CC[C@H]2CC(O)C3)cc1OC ZINC000107926425 186198432 /nfs/dbraw/zinc/19/84/32/186198432.db2.gz WLODMJIFUITWMQ-YIONKMFJSA-N 1 0 291.391 2.500 10 0 CEAERO CCn1nc(C)c2nc(N)n(CC[NH+](C(C)C)C(C)C)c21 ZINC000092591085 180409290 /nfs/dbraw/zinc/40/92/90/180409290.db2.gz GLYQFXFJOZBACX-UHFFFAOYSA-N 1 0 292.431 2.262 10 0 CEAERO CNc1cc(N2CCC[C@H]2C[NH2+]CC(C)(C)C)ncn1 ZINC000109070365 186242496 /nfs/dbraw/zinc/24/24/96/186242496.db2.gz XFMRFXUNUDAPHE-LBPRGKRZSA-N 1 0 277.416 2.123 10 0 CEAERO CC1(CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CCCC1 ZINC000108932842 186237104 /nfs/dbraw/zinc/23/71/04/186237104.db2.gz FUFJKQPAYDFSCC-CQSZACIVSA-N 1 0 279.428 2.446 10 0 CEAERO C[C@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccccc1F ZINC000108994235 186239686 /nfs/dbraw/zinc/23/96/86/186239686.db2.gz HCNLDFGRXQDNDL-NWDGAFQWSA-N 1 0 264.344 2.092 10 0 CEAERO C[C@@H](C(=O)N1CC[C@H]([NH+](C)C)C1)c1ccccc1F ZINC000108994233 186240083 /nfs/dbraw/zinc/24/00/83/186240083.db2.gz HCNLDFGRXQDNDL-NEPJUHHUSA-N 1 0 264.344 2.092 10 0 CEAERO C[NH2+][C@@H](COC)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000109494646 186256272 /nfs/dbraw/zinc/25/62/72/186256272.db2.gz NFPVYZWRMBYZQB-LLVKDONJSA-N 1 0 281.743 2.167 10 0 CEAERO C[NH2+]C1CCC(c2nc(C[C@@H]3CCCO3)no2)CC1 ZINC000109495874 186256530 /nfs/dbraw/zinc/25/65/30/186256530.db2.gz MIEQQQMFLHKVMB-MCIGGMRASA-N 1 0 265.357 2.037 10 0 CEAERO CCC[NH2+][C@@H](Cc1nc(-c2ccncc2)no1)C1CC1 ZINC000109498582 186256864 /nfs/dbraw/zinc/25/68/64/186256864.db2.gz JTKLGFNRCIOGDG-ZDUSSCGKSA-N 1 0 272.352 2.452 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@H]1c1nc(C[C@@H]2CCCO2)no1 ZINC000109495522 186256905 /nfs/dbraw/zinc/25/69/05/186256905.db2.gz KEGRTAXMGAXYRN-QJPTWQEYSA-N 1 0 265.357 2.166 10 0 CEAERO C[NH2+][C@H]1CCCC[C@H]1c1nc(-c2cccnc2)no1 ZINC000109495375 186257004 /nfs/dbraw/zinc/25/70/04/186257004.db2.gz SAXWBPKGICQFDK-NEPJUHHUSA-N 1 0 258.325 2.377 10 0 CEAERO CC[NH2+][C@@H](Cc1nc(C[C@H]2CCCO2)no1)C(C)(C)C ZINC000109495688 186257022 /nfs/dbraw/zinc/25/70/22/186257022.db2.gz IPYOZINHKPBQPS-NEPJUHHUSA-N 1 0 281.400 2.358 10 0 CEAERO CCC[NH2+][C@@H]1CCCCC[C@@H]1c1nc(-c2nc[nH]n2)no1 ZINC000109499957 186257599 /nfs/dbraw/zinc/25/75/99/186257599.db2.gz QEGAAXDPCCUXML-WDEREUQCSA-N 1 0 290.371 2.271 10 0 CEAERO CC[C@H](c1nc(Cc2ccncc2)no1)[C@H](C)[NH2+]C ZINC000109509079 186258508 /nfs/dbraw/zinc/25/85/08/186258508.db2.gz QNOKJRZTHMLEIY-JQWIXIFHSA-N 1 0 260.341 2.157 10 0 CEAERO [NH3+][C@H](Cc1nc(C2(c3ccccc3)CC2)no1)C1CC1 ZINC000109513549 186258618 /nfs/dbraw/zinc/25/86/18/186258618.db2.gz ITZMGJSBJLFUEZ-CYBMUJFWSA-N 1 0 269.348 2.429 10 0 CEAERO CCC[C@@H]([NH3+])Cc1nc(COc2ccccc2)no1 ZINC000109509286 186258631 /nfs/dbraw/zinc/25/86/31/186258631.db2.gz QNGVOGHDDQENBD-LLVKDONJSA-N 1 0 261.325 2.319 10 0 CEAERO C[NH2+][C@@H](Cc1nc(-c2ncccc2C)no1)C(C)C ZINC000109519182 186258739 /nfs/dbraw/zinc/25/87/39/186258739.db2.gz ADTJTBQPVCDRGN-NSHDSACASA-N 1 0 260.341 2.227 10 0 CEAERO NNc1cc(C2CC2)nc(Cc2ccc(F)cc2)[nH+]1 ZINC000109527354 186260290 /nfs/dbraw/zinc/26/02/90/186260290.db2.gz HZLMCTKKNIKUMU-UHFFFAOYSA-N 1 0 258.300 2.370 10 0 CEAERO Cc1ccc(C(=O)NCc2ccc(C[NH3+])cc2F)c(O)c1 ZINC000109540277 186261226 /nfs/dbraw/zinc/26/12/26/186261226.db2.gz OEWSNZFDJBILCZ-UHFFFAOYSA-N 1 0 288.322 2.228 10 0 CEAERO CC[C@@H]1CCN(Cc2ccc(OC)cc2OC)CC[NH2+]1 ZINC000109555014 186263056 /nfs/dbraw/zinc/26/30/56/186263056.db2.gz YULANXIKPJDANA-CQSZACIVSA-N 1 0 278.396 2.278 10 0 CEAERO C[NH2+][C@@H]1C(=O)Nc2cc(-n3ccc(C(F)(F)F)n3)ccc21 ZINC000109573086 186263904 /nfs/dbraw/zinc/26/39/04/186263904.db2.gz NESAWHOEBBIISW-NSHDSACASA-N 1 0 296.252 2.104 10 0 CEAERO COc1cc([C@@H](C)[NH3+])ccc1O[C@@H]1CCCC[C@H]1O ZINC000109562123 186263953 /nfs/dbraw/zinc/26/39/53/186263953.db2.gz VVRWNHSTXDVWPT-RAIGVLPGSA-N 1 0 265.353 2.397 10 0 CEAERO CCC[NH2+][C@@H]1C(=O)Nc2cc(OC3CCOCC3)ccc21 ZINC000109576434 186264363 /nfs/dbraw/zinc/26/43/63/186264363.db2.gz RFWSWOWADUFYKJ-HNNXBMFYSA-N 1 0 290.363 2.237 10 0 CEAERO C[C@@H]([NH2+]CCc1nncn1C)c1cccc(Cl)c1 ZINC000109421108 186251185 /nfs/dbraw/zinc/25/11/85/186251185.db2.gz LIEZHAHRDRJKQN-SNVBAGLBSA-N 1 0 264.760 2.362 10 0 CEAERO CC[C@H](C[NH3+])N1CCN(C(=O)C[C@H](C)CC(C)(C)C)CC1 ZINC000109448805 186252771 /nfs/dbraw/zinc/25/27/71/186252771.db2.gz XUGXVHSTWHWCJS-LSDHHAIUSA-N 1 0 297.487 2.330 10 0 CEAERO CCCC[C@H](CC)C(=O)N1CCN([C@H](CC)C[NH3+])CC1 ZINC000109448781 186252881 /nfs/dbraw/zinc/25/28/81/186252881.db2.gz RQENNFJFXZSHQB-LSDHHAIUSA-N 1 0 283.460 2.084 10 0 CEAERO CCc1ccc(CN2CC[NH+]([C@H](C)C(N)=S)CC2)cc1 ZINC000109468059 186253531 /nfs/dbraw/zinc/25/35/31/186253531.db2.gz BETHGYGGJHYWMW-CYBMUJFWSA-N 1 0 291.464 2.041 10 0 CEAERO CCC[C@H](C(N)=S)[NH+]1CCN(CC2CCCC2)CC1 ZINC000109470003 186253579 /nfs/dbraw/zinc/25/35/79/186253579.db2.gz XZXJNKRSONTDIU-CQSZACIVSA-N 1 0 283.485 2.249 10 0 CEAERO CCC[C@@H](C(N)=S)[NH+]1CCN(Cc2ccsc2)CC1 ZINC000109470148 186254031 /nfs/dbraw/zinc/25/40/31/186254031.db2.gz RFBSLLYDMXYACA-ZDUSSCGKSA-N 1 0 297.493 2.321 10 0 CEAERO CC(C)c1cc(C2CC2)nc([C@H](C)N2CC[NH2+]CC2)n1 ZINC000109475660 186254593 /nfs/dbraw/zinc/25/45/93/186254593.db2.gz SCVFMVLEZPGLJT-LBPRGKRZSA-N 1 0 274.412 2.444 10 0 CEAERO CC[C@H](c1nc(C)cc(C(F)(F)F)n1)N1CC[NH2+]CC1 ZINC000109475936 186254767 /nfs/dbraw/zinc/25/47/67/186254767.db2.gz YZPOKGUXZKYQAC-SNVBAGLBSA-N 1 0 288.317 2.160 10 0 CEAERO CC[C@H](c1nccc(C2CCCC2)n1)N1CC[NH2+]CC1 ZINC000109475812 186255208 /nfs/dbraw/zinc/25/52/08/186255208.db2.gz ZEXUXJXPMNBCAH-OAHLLOKOSA-N 1 0 274.412 2.491 10 0 CEAERO CC[C@H](c1nc(C)cc(C2CC2)n1)N1CC[NH2+]CC1 ZINC000109475956 186255255 /nfs/dbraw/zinc/25/52/55/186255255.db2.gz YQRWPMBVIVGZDO-CQSZACIVSA-N 1 0 260.385 2.019 10 0 CEAERO C[C@H]([NH3+])C1CCN(Cc2nnc(-c3cccs3)o2)CC1 ZINC000110650130 186310347 /nfs/dbraw/zinc/31/03/47/186310347.db2.gz IUBLEVYXMUEMHR-JTQLQIEISA-N 1 0 292.408 2.357 10 0 CEAERO Cc1nnc(SCC[NH2+]C2CCC(C)CC2)n1C ZINC000110250309 186288886 /nfs/dbraw/zinc/28/88/86/186288886.db2.gz OTFNVQZXOFGCES-UHFFFAOYSA-N 1 0 268.430 2.384 10 0 CEAERO CCc1nc(N2CC[C@@H]([NH+](CC)CC)C2)sc1CO ZINC000110276204 186289486 /nfs/dbraw/zinc/28/94/86/186289486.db2.gz MBSJKJMBAZZRCP-LLVKDONJSA-N 1 0 283.441 2.118 10 0 CEAERO CC[NH+](CC)[C@@H]1CCN(c2nc(C)c(C=O)s2)C1 ZINC000110272206 186289762 /nfs/dbraw/zinc/28/97/62/186289762.db2.gz SZWWCQYSGICDRT-LLVKDONJSA-N 1 0 267.398 2.185 10 0 CEAERO Cc1nc(N2CC[C@@H]([NH+]3CCCC3)C2)sc1[C@@H](C)O ZINC000110271610 186290029 /nfs/dbraw/zinc/29/00/29/186290029.db2.gz UOBFRFRSRPYXLK-VXGBXAGGSA-N 1 0 281.425 2.179 10 0 CEAERO Cc1nnc(Sc2cccc(F)c2[C@@H](C)[NH3+])n1C ZINC000110368794 186294232 /nfs/dbraw/zinc/29/42/32/186294232.db2.gz XTLFKSBZNJBLGS-SSDOTTSWSA-N 1 0 266.345 2.434 10 0 CEAERO O=c1cc(-c2cccs2)nc([C@H]2CCCC[NH2+]2)[nH]1 ZINC000110465969 186296906 /nfs/dbraw/zinc/29/69/06/186296906.db2.gz PHMQAXIJPMQGMM-SECBINFHSA-N 1 0 261.350 2.313 10 0 CEAERO C[NH2+][C@H](Cc1nc(-c2cccc(C)n2)no1)C(C)C ZINC000110476117 186298177 /nfs/dbraw/zinc/29/81/77/186298177.db2.gz WCPXCTYRTFGKFG-GFCCVEGCSA-N 1 0 260.341 2.227 10 0 CEAERO CCC[NH2+][C@@H](CC)[C@H](C)c1nc(-c2ncccn2)no1 ZINC000110478750 186299374 /nfs/dbraw/zinc/29/93/74/186299374.db2.gz GQODRIZEBDCCJF-QWRGUYRKSA-N 1 0 275.356 2.408 10 0 CEAERO CC[NH2+][C@H](C)CCc1nc(-c2cccc(C)n2)no1 ZINC000110476128 186299532 /nfs/dbraw/zinc/29/95/32/186299532.db2.gz RHOGBNXUNLDTRT-SNVBAGLBSA-N 1 0 260.341 2.371 10 0 CEAERO CCC1(c2nc(-c3cccc(C)n3)no2)CC[NH2+]CC1 ZINC000110480739 186299554 /nfs/dbraw/zinc/29/95/54/186299554.db2.gz XQUICSNMXDSZBH-UHFFFAOYSA-N 1 0 272.352 2.471 10 0 CEAERO CC[C@H]([NH3+])[C@@H](O[C@@H]1CCOC1)c1cccc(OC)c1 ZINC000110525783 186300660 /nfs/dbraw/zinc/30/06/60/186300660.db2.gz JADRIHMGKFKGDD-ILXRZTDVSA-N 1 0 265.353 2.279 10 0 CEAERO C[NH2+][C@@H](CO[C@@H]1CCOC1)c1cc2ccccc2o1 ZINC000110526848 186300861 /nfs/dbraw/zinc/30/08/61/186300861.db2.gz RSTGZZMMPGNFHL-OLZOCXBDSA-N 1 0 261.321 2.499 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](O[C@@H]1CCOC1)c1cccc(OC)c1 ZINC000110525786 186301223 /nfs/dbraw/zinc/30/12/23/186301223.db2.gz JADRIHMGKFKGDD-KFWWJZLASA-N 1 0 265.353 2.279 10 0 CEAERO NC(=[NH2+])c1cc(C(F)(F)F)ccc1O[C@@H]1CCOC1 ZINC000110528061 186301702 /nfs/dbraw/zinc/30/17/02/186301702.db2.gz IWTIPQIBACIRGT-MRVPVSSYSA-N 1 0 274.242 2.157 10 0 CEAERO CC[NH2+]C[C@@H](O[C@@H]1CCOC1)c1ccc(OC)cc1 ZINC000110529937 186301803 /nfs/dbraw/zinc/30/18/03/186301803.db2.gz VSALLCDCXVAXJX-HUUCEWRRSA-N 1 0 265.353 2.151 10 0 CEAERO CC(C)(C)[NH2+]Cc1cccnc1O[C@H]1CCOC1 ZINC000110532452 186301837 /nfs/dbraw/zinc/30/18/37/186301837.db2.gz KKHGFQMCLLAYDW-LBPRGKRZSA-N 1 0 250.342 2.137 10 0 CEAERO CCC1(C(=O)Nc2nc3ccccc3[nH]2)CC[NH2+]CC1 ZINC000110538124 186302000 /nfs/dbraw/zinc/30/20/00/186302000.db2.gz OZEDAAXVIWROQA-UHFFFAOYSA-N 1 0 272.352 2.281 10 0 CEAERO COc1cccc(N(C)Cc2cccc(C[NH3+])c2)n1 ZINC000110541627 186302391 /nfs/dbraw/zinc/30/23/91/186302391.db2.gz LMWYXASUXLBWMO-UHFFFAOYSA-N 1 0 257.337 2.185 10 0 CEAERO [NH3+]Cc1ccc(NC(=O)[C@@H]2COc3ccccc3C2)cc1 ZINC000110539571 186302553 /nfs/dbraw/zinc/30/25/53/186302553.db2.gz IOFQPNWWDXFWEN-AWEZNQCLSA-N 1 0 282.343 2.335 10 0 CEAERO [NH3+]Cc1ccc(CC(=O)N(CC(F)(F)F)C2CC2)cc1 ZINC000110613295 186305766 /nfs/dbraw/zinc/30/57/66/186305766.db2.gz RVDWDQCXVNFMEJ-UHFFFAOYSA-N 1 0 286.297 2.241 10 0 CEAERO CCOc1cc(N[C@@H]2C[NH+]3CCC2CC3)c(N)cc1F ZINC000110632528 186307748 /nfs/dbraw/zinc/30/77/48/186307748.db2.gz VEMDZYHREXBLOT-CQSZACIVSA-N 1 0 279.359 2.313 10 0 CEAERO CC(C)n1cccc1C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000110646622 186308483 /nfs/dbraw/zinc/30/84/83/186308483.db2.gz XBCYLZFBKZMHCR-LBPRGKRZSA-N 1 0 263.385 2.268 10 0 CEAERO CC(C)[NH2+][C@@](C)(CC[N@@H+]1CCC[C@@H](C)CC1)C(=O)[O-] ZINC000110809926 186326070 /nfs/dbraw/zinc/32/60/70/186326070.db2.gz TUCOMQAWEKPNQP-HIFRSBDPSA-N 1 0 270.417 2.340 10 0 CEAERO C[C@@H](C[NH2+]C[C@H]1CCCO1)N(C)CC1CCCC1 ZINC000110845141 186328402 /nfs/dbraw/zinc/32/84/02/186328402.db2.gz JRPLXPNXSNDSKP-DZGCQCFKSA-N 1 0 254.418 2.266 10 0 CEAERO COc1ccc([C@@H](CO)[NH2+]C2CC2)c(Cl)c1OC ZINC000110831654 186328610 /nfs/dbraw/zinc/32/86/10/186328610.db2.gz CUFKDMYXWVWKNU-SNVBAGLBSA-N 1 0 271.744 2.143 10 0 CEAERO CCOC(=O)[C@](C)(C[N@H+](C)CC1CCCC1)NC1CC1 ZINC000110841189 186329102 /nfs/dbraw/zinc/32/91/02/186329102.db2.gz HYIKYOWSNORSPZ-INIZCTEOSA-N 1 0 282.428 2.182 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1cnccn1)c1cccnc1 ZINC000110913181 186332144 /nfs/dbraw/zinc/33/21/44/186332144.db2.gz LSBYDOIMJAGCMD-YPMHNXCESA-N 1 0 260.366 2.442 10 0 CEAERO CC(C)c1cccc(NC(=O)CN(C)[C@@H]2CCC[NH2+]C2)c1 ZINC000110930838 186333082 /nfs/dbraw/zinc/33/30/82/186333082.db2.gz HQNVDGBEBLJHGW-MRXNPFEDSA-N 1 0 289.423 2.432 10 0 CEAERO C[C@@H]([NH2+]Cc1[nH]nnc1-c1ccccc1)[C@H]1CCCO1 ZINC000110924520 186333323 /nfs/dbraw/zinc/33/33/23/186333323.db2.gz HJPSJKYYXRQLKD-BXUZGUMPSA-N 1 0 272.352 2.129 10 0 CEAERO CCCN(C(=O)c1scnc1C)[C@H]1CCC[NH2+]C1 ZINC000110940861 186334316 /nfs/dbraw/zinc/33/43/16/186334316.db2.gz LQQAKKVHZWVCQW-NSHDSACASA-N 1 0 267.398 2.056 10 0 CEAERO CCN(CCCOCC(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000110943223 186335165 /nfs/dbraw/zinc/33/51/65/186335165.db2.gz OYEYTWDYOMYUFQ-NSHDSACASA-N 1 0 268.323 2.029 10 0 CEAERO c1ccc2[nH]c(Cc3noc(C4CC[NH2+]CC4)n3)nc2c1 ZINC000110949286 186335196 /nfs/dbraw/zinc/33/51/96/186335196.db2.gz ZYHNEZJOZLAFMX-UHFFFAOYSA-N 1 0 283.335 2.004 10 0 CEAERO CCCN(c1cc(Cl)ccc1C(N)=O)[C@@H]1CCC[NH2+]C1 ZINC000110947934 186335279 /nfs/dbraw/zinc/33/52/79/186335279.db2.gz MYYBFJRQFOPEDQ-GFCCVEGCSA-N 1 0 295.814 2.407 10 0 CEAERO CCCN(CCCC(=O)N(CC)CC)[C@@H]1CCC[NH2+]C1 ZINC000110945567 186335334 /nfs/dbraw/zinc/33/53/34/186335334.db2.gz PQCIWXIRPRTLEX-OAHLLOKOSA-N 1 0 283.460 2.099 10 0 CEAERO CCCN(Cc1csc(NC(C)=O)n1)[C@@H]1CCC[NH2+]C1 ZINC000110946298 186335353 /nfs/dbraw/zinc/33/53/53/186335353.db2.gz FWDDURYLZVYIJO-CYBMUJFWSA-N 1 0 296.440 2.066 10 0 CEAERO CCCN(CC(=O)N1CCCCCCC1)[C@H]1CCC[NH2+]C1 ZINC000110946463 186335597 /nfs/dbraw/zinc/33/55/97/186335597.db2.gz WSEAYSGMHGMRCM-INIZCTEOSA-N 1 0 295.471 2.243 10 0 CEAERO CCN(Cc1ccc(-n2ccnc2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000110944186 186335651 /nfs/dbraw/zinc/33/56/51/186335651.db2.gz FRBXATVMBKXWAL-QGZVFWFLSA-N 1 0 284.407 2.446 10 0 CEAERO [NH3+][C@H]1CCCc2nc(Cc3nc4ccccc4[nH]3)ncc21 ZINC000110950984 186335678 /nfs/dbraw/zinc/33/56/78/186335678.db2.gz BTTLARAQHILENV-NSHDSACASA-N 1 0 279.347 2.280 10 0 CEAERO CCCN(c1ccccc1S(C)(=O)=O)[C@@H]1CCC[NH2+]C1 ZINC000110948049 186335918 /nfs/dbraw/zinc/33/59/18/186335918.db2.gz YCGRFPYKCKUXJT-CYBMUJFWSA-N 1 0 296.436 2.059 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1c1nc(Cc2nc3ccccc3[nH]2)no1 ZINC000110951455 186336568 /nfs/dbraw/zinc/33/65/68/186336568.db2.gz LQBGRWGZQPLEFF-VHSXEESVSA-N 1 0 283.335 2.132 10 0 CEAERO CCOC(=O)COc1cc(C)ccc1[C@H](C)[NH2+]C ZINC000110959826 186337098 /nfs/dbraw/zinc/33/70/98/186337098.db2.gz TYWUPXKHNMHTLW-NSHDSACASA-N 1 0 251.326 2.217 10 0 CEAERO CCC[NH2+][C@H](C)c1ccc(C)cc1O[C@H](C)C(N)=O ZINC000110961930 186337463 /nfs/dbraw/zinc/33/74/63/186337463.db2.gz NDERSNXKVNPCDR-VXGBXAGGSA-N 1 0 264.369 2.308 10 0 CEAERO CSc1ccccc1OC[C@H]1CC[C@H](C[NH3+])O1 ZINC000110984743 186339178 /nfs/dbraw/zinc/33/91/78/186339178.db2.gz XENCFTSSWTXPRN-GHMZBOCLSA-N 1 0 253.367 2.294 10 0 CEAERO CC[N@@H+]1CCN(C(=O)Nc2ccc([C@@H](C)O)cc2)C[C@@H]1C ZINC000110694678 186313304 /nfs/dbraw/zinc/31/33/04/186313304.db2.gz NWXBOPKSMKLRHM-QWHCGFSZSA-N 1 0 291.395 2.298 10 0 CEAERO CC[C@H]1CN(CCCOc2cccc(N)c2)CC[N@@H+]1C ZINC000110703505 186315015 /nfs/dbraw/zinc/31/50/15/186315015.db2.gz FMZSPXFGRIGNIQ-HNNXBMFYSA-N 1 0 277.412 2.064 10 0 CEAERO CC(C)c1ccc([C@@H](O)C[N@@H+]2CCN(C)[C@@H](C)C2)cc1 ZINC000110735374 186317132 /nfs/dbraw/zinc/31/71/32/186317132.db2.gz FXSMTOVOSCKEBY-YOEHRIQHSA-N 1 0 276.424 2.479 10 0 CEAERO CCN1CC[N@@H+]([C@@H]2CCCc3ccccc3[C@@H]2O)C[C@@H]1C ZINC000110735870 186318112 /nfs/dbraw/zinc/31/81/12/186318112.db2.gz AWMZFQLWEJIQEK-QGTPRVQTSA-N 1 0 288.435 2.451 10 0 CEAERO CCOC(CC[N@@H+]1CCC[C@H](OCC)C1)OCC ZINC000110785274 186324005 /nfs/dbraw/zinc/32/40/05/186324005.db2.gz FLKXEBRUFWYDSW-ZDUSSCGKSA-N 1 0 259.390 2.277 10 0 CEAERO CCC[NH2+]CCNc1ncnc2sc(C)cc21 ZINC000110779317 186324284 /nfs/dbraw/zinc/32/42/84/186324284.db2.gz CKGHUSBLMMSJJB-UHFFFAOYSA-N 1 0 250.371 2.411 10 0 CEAERO CCOC(CCN1CC[C@H]([NH+](CC)CC)C1)OCC ZINC000110786059 186324805 /nfs/dbraw/zinc/32/48/05/186324805.db2.gz IRZAEGZDJMIPML-AWEZNQCLSA-N 1 0 272.433 2.192 10 0 CEAERO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1c(N)cccc1Cl ZINC000111012094 186343382 /nfs/dbraw/zinc/34/33/82/186343382.db2.gz KWPNTSNUBZCUHT-SNVBAGLBSA-N 1 0 281.787 2.136 10 0 CEAERO C[C@@H]1CN([C@@H](C[NH3+])c2cccc(F)c2F)C[C@@H](C)O1 ZINC000111038978 186346784 /nfs/dbraw/zinc/34/67/84/186346784.db2.gz RMVDUHRJFMQHFD-BREBYQMCSA-N 1 0 270.323 2.074 10 0 CEAERO Cc1ncsc1CCOc1ccc(F)cc1C(N)=[NH2+] ZINC000111035138 186346961 /nfs/dbraw/zinc/34/69/61/186346961.db2.gz SYYSYKHLCOWIPV-UHFFFAOYSA-N 1 0 279.340 2.496 10 0 CEAERO C[NH+](C)CCC[N@H+](C)CCCOc1cccc(C(=O)[O-])c1 ZINC000111152274 186361094 /nfs/dbraw/zinc/36/10/94/186361094.db2.gz ORISJZWJZYGUAK-UHFFFAOYSA-N 1 0 294.395 2.037 10 0 CEAERO COc1ccccc1[C@@H]([C@H](C)[NH3+])N(C)C[C@@H]1CCCOC1 ZINC000111154476 186361264 /nfs/dbraw/zinc/36/12/64/186361264.db2.gz WMGKHJZKGBXIFK-GRDNDAEWSA-N 1 0 292.423 2.442 10 0 CEAERO CCNc1ccc(Cl)c(C(=O)N(C)CCC[NH+](C)C)n1 ZINC000111151914 186361276 /nfs/dbraw/zinc/36/12/76/186361276.db2.gz OJSLKRZIQZTDHT-UHFFFAOYSA-N 1 0 298.818 2.191 10 0 CEAERO COc1cccc([C@@H]([C@H](C)N)[N@H+](C)CC2CCOCC2)c1 ZINC000111156068 186361595 /nfs/dbraw/zinc/36/15/95/186361595.db2.gz CVUXKFRSPUJZOK-SUMWQHHRSA-N 1 0 292.423 2.442 10 0 CEAERO C[N@H+](C[C@H]1CCCOC1)[C@@H]1CCc2ccccc2[C@@H]1N ZINC000111160784 186361711 /nfs/dbraw/zinc/36/17/11/186361711.db2.gz NQHQGKLOWQBBLH-XYPHTWIQSA-N 1 0 274.408 2.360 10 0 CEAERO CCc1ccc([C@H](C[NH3+])N(C)C[C@@H]2CCCOC2)o1 ZINC000111158490 186362206 /nfs/dbraw/zinc/36/22/06/186362206.db2.gz HDZXUCYULCHWSM-JSGCOSHPSA-N 1 0 266.385 2.200 10 0 CEAERO C[C@@H]([C@H](N)c1ccccc1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111160412 186363015 /nfs/dbraw/zinc/36/30/15/186363015.db2.gz VANMXZVDRUYOJY-DZKIICNBSA-N 1 0 262.397 2.433 10 0 CEAERO CN(C[C@@H]1C[C@H]2CC[C@@H]1C2)C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000111088099 186352017 /nfs/dbraw/zinc/35/20/17/186352017.db2.gz VNQVENUCTRELAY-QNWHQSFQSA-N 1 0 252.402 2.254 10 0 CEAERO CCCOCCO[C@H](c1cccnc1)[C@@H]([NH3+])CC ZINC000111105997 186353062 /nfs/dbraw/zinc/35/30/62/186353062.db2.gz SDHRRAXBPSRCFJ-UONOGXRCSA-N 1 0 252.358 2.303 10 0 CEAERO CCOCCN(CC)[C@H](c1ccccc1OC)[C@@H](C)[NH3+] ZINC000111116659 186353568 /nfs/dbraw/zinc/35/35/68/186353568.db2.gz GVXZCIGGJFWKMZ-CJNGLKHVSA-N 1 0 280.412 2.442 10 0 CEAERO CCCOCCOC[C@H]([NH2+]C)c1ccccc1OC ZINC000111108015 186353592 /nfs/dbraw/zinc/35/35/92/186353592.db2.gz FDDLMRUKVNMHNH-AWEZNQCLSA-N 1 0 267.369 2.399 10 0 CEAERO CCOCCN(CC)[C@@H](C[NH3+])c1cc(OC)ccc1OC ZINC000111117572 186355160 /nfs/dbraw/zinc/35/51/60/186355160.db2.gz UELCBJSYZQJHPD-HNNXBMFYSA-N 1 0 296.411 2.062 10 0 CEAERO CC(C)COc1nc(N(C)CCC[NH+](C)C)ccc1N ZINC000111132294 186356312 /nfs/dbraw/zinc/35/63/12/186356312.db2.gz BWVFNTHNNQAJBB-UHFFFAOYSA-N 1 0 280.416 2.087 10 0 CEAERO CCOc1ccc(C(C)=O)cc1CN(C)CC[NH+](C)C ZINC000111139582 186357614 /nfs/dbraw/zinc/35/76/14/186357614.db2.gz WPYVDESXEFNVBC-UHFFFAOYSA-N 1 0 278.396 2.281 10 0 CEAERO CC[C@@H]1CCC(=O)[C@@H](C[N@H+](C)CCCN(C)C)C1 ZINC000111146569 186358529 /nfs/dbraw/zinc/35/85/29/186358529.db2.gz VUCKBUPKDDXVLT-ZIAGYGMSSA-N 1 0 254.418 2.265 10 0 CEAERO CN(C)CC[N@H+](C)C[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1O ZINC000111148590 186358973 /nfs/dbraw/zinc/35/89/73/186358973.db2.gz AKXBGXGMQPXXQZ-KKUMJFAQSA-N 1 0 270.461 2.303 10 0 CEAERO CCCc1nc(N(C)CCC[NH+](C)C)sc1C=O ZINC000111151642 186359771 /nfs/dbraw/zinc/35/97/71/186359771.db2.gz YYOAZDGROWOZHA-UHFFFAOYSA-N 1 0 269.414 2.296 10 0 CEAERO Cc1ccc([C@@H]([C@@H](C)[NH3+])N(C)C[C@@H]2CCCOC2)o1 ZINC000111154779 186360143 /nfs/dbraw/zinc/36/01/43/186360143.db2.gz PSLPJXQZLMPQHU-VNHYZAJKSA-N 1 0 266.385 2.335 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCOc2ccccc21 ZINC000111189023 186367843 /nfs/dbraw/zinc/36/78/43/186367843.db2.gz UXEGUPRZLCVKMT-HIFRSBDPSA-N 1 0 288.391 2.153 10 0 CEAERO C[N@H+](C[C@@H]1CCCOC1)[C@@H]1CCc2ccccc2[C@@H]1O ZINC000111168653 186363992 /nfs/dbraw/zinc/36/39/92/186363992.db2.gz BFAHGOLDJYJCMJ-XKQJLSEDSA-N 1 0 275.392 2.393 10 0 CEAERO COc1ccc([C@@H](O)C[N@H+](C)CC2CCOCC2)cc1 ZINC000111168960 186364084 /nfs/dbraw/zinc/36/40/84/186364084.db2.gz CSVCDDPFIBYYNP-INIZCTEOSA-N 1 0 279.380 2.087 10 0 CEAERO C[NH2+][C@H]1CCCCC[C@H]1N(C)C[C@@H]1CCCOC1 ZINC000111160983 186364386 /nfs/dbraw/zinc/36/43/86/186364386.db2.gz ULNOWCDWQLAUEB-SOUVJXGZSA-N 1 0 254.418 2.266 10 0 CEAERO Nc1cncc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000111178041 186364783 /nfs/dbraw/zinc/36/47/83/186364783.db2.gz CCJJXBOAYSBZAA-AWEZNQCLSA-N 1 0 283.379 2.135 10 0 CEAERO C[N@H+](CC1CCOCC1)C[C@](C)(N)c1ccccc1 ZINC000111179370 186366141 /nfs/dbraw/zinc/36/61/41/186366141.db2.gz WMWZLSNTOCOSRI-INIZCTEOSA-N 1 0 262.397 2.219 10 0 CEAERO CC(C)N(CCC[NH3+])C(=O)[C@H]1CCOc2ccccc21 ZINC000111184175 186366785 /nfs/dbraw/zinc/36/67/85/186366785.db2.gz ZEZGTTSHVZSUBM-AWEZNQCLSA-N 1 0 276.380 2.139 10 0 CEAERO CN(CCC1CC[NH2+]CC1)C(=O)c1ccc2c(c1)COC2 ZINC000111305576 186394147 /nfs/dbraw/zinc/39/41/47/186394147.db2.gz SWBDALUGXCEGNV-UHFFFAOYSA-N 1 0 288.391 2.179 10 0 CEAERO Cc1ccc(CN(C)[C@@H](C[NH3+])[C@@H]2CCCOC2)cc1 ZINC000111320636 186397123 /nfs/dbraw/zinc/39/71/23/186397123.db2.gz VSCGDWMNUBTHMC-CVEARBPZSA-N 1 0 262.397 2.181 10 0 CEAERO [NH3+][C@@H](c1nc2c(s1)CCCC2)[C@H]1CCCOC1 ZINC000111322167 186397327 /nfs/dbraw/zinc/39/73/27/186397327.db2.gz VROQJBJWCNIYCO-JOYOIKCWSA-N 1 0 252.383 2.448 10 0 CEAERO CCN(C[C@@]1(C[NH3+])CCCOC1)c1ccccc1F ZINC000111327132 186398560 /nfs/dbraw/zinc/39/85/60/186398560.db2.gz XEEPRSVQBLKJHB-HNNXBMFYSA-N 1 0 266.360 2.408 10 0 CEAERO CC(C)C[NH2+]C[C@]1(CN2CCSCC2)CCCOC1 ZINC000111324527 186398645 /nfs/dbraw/zinc/39/86/45/186398645.db2.gz MNTJFDTTYCNIPX-HNNXBMFYSA-N 1 0 286.485 2.078 10 0 CEAERO CN(Cc1ccccn1)C[C@@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111325501 186399152 /nfs/dbraw/zinc/39/91/52/186399152.db2.gz ORTBTJMZZPQOBH-KRWDZBQOSA-N 1 0 289.423 2.062 10 0 CEAERO Cc1cc2c(ncnc2N(CC[NH3+])C(C)C)s1 ZINC000111237576 186373017 /nfs/dbraw/zinc/37/30/17/186373017.db2.gz ZAZZQSBZPUVFNN-UHFFFAOYSA-N 1 0 250.371 2.173 10 0 CEAERO CN(C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)c1ccccc1F ZINC000111246795 186375821 /nfs/dbraw/zinc/37/58/21/186375821.db2.gz YYWKFRNPLUMCGG-GFCCVEGCSA-N 1 0 290.260 2.331 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1c1nc(C2(c3ccccc3)CC2)no1 ZINC000111256775 186378823 /nfs/dbraw/zinc/37/88/23/186378823.db2.gz MBHZRNRSBUQSKD-WCQYABFASA-N 1 0 269.348 2.472 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccccc1OC(F)(F)F ZINC000111263164 186380277 /nfs/dbraw/zinc/38/02/77/186380277.db2.gz KOXZNVZRRKHSKB-BDAKNGLRSA-N 1 0 288.269 2.379 10 0 CEAERO Cc1c(Cl)cccc1NC(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000111262903 186380369 /nfs/dbraw/zinc/38/03/69/186380369.db2.gz DZOSLEJRWCQNQQ-WPRPVWTQSA-N 1 0 252.745 2.442 10 0 CEAERO CSc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@@H]2C)cc1 ZINC000111262968 186380709 /nfs/dbraw/zinc/38/07/09/186380709.db2.gz QHWHWSCOIBKTDU-JOYOIKCWSA-N 1 0 250.367 2.203 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000111263535 186380751 /nfs/dbraw/zinc/38/07/51/186380751.db2.gz KOFOGUJZJNIZQF-KCJUWKMLSA-N 1 0 288.269 2.379 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1CCCc2ccccc21 ZINC000111264244 186381567 /nfs/dbraw/zinc/38/15/67/186381567.db2.gz NUDISJCHYWUQCY-TUKIKUTGSA-N 1 0 258.365 2.036 10 0 CEAERO CCC(=O)Nc1ccc(C)c(NC(=O)[C@H]2C[NH2+]C[C@@H]2C)c1 ZINC000111264849 186382263 /nfs/dbraw/zinc/38/22/63/186382263.db2.gz ZWLVDAIJHZUSDC-AAEUAGOBSA-N 1 0 289.379 2.138 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc2c(O)cccc12 ZINC000111266539 186382406 /nfs/dbraw/zinc/38/24/06/186382406.db2.gz IWRRBOQVRXPIPH-ZWNOBZJWSA-N 1 0 270.332 2.339 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000111268088 186382711 /nfs/dbraw/zinc/38/27/11/186382711.db2.gz XIVBDZLPOADISU-UHOFOFEASA-N 1 0 272.392 2.378 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000111267540 186383426 /nfs/dbraw/zinc/38/34/26/186383426.db2.gz GZOXNSJRPDINOB-APPZFPTMSA-N 1 0 288.269 2.221 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)N(Cc1ccc(F)cc1F)C1CC1 ZINC000111268701 186384573 /nfs/dbraw/zinc/38/45/73/186384573.db2.gz BZERBZRBJIJUNJ-IINYFYTJSA-N 1 0 294.345 2.311 10 0 CEAERO Cc1cc([C@@H](C)NC(=O)c2ccc(C[NH3+])cn2)c(C)o1 ZINC000111282130 186387689 /nfs/dbraw/zinc/38/76/89/186387689.db2.gz AUVGEVWUGILKAH-SNVBAGLBSA-N 1 0 273.336 2.241 10 0 CEAERO CN(C(=O)c1ccc(C[NH3+])cn1)[C@H]1CCc2ccccc21 ZINC000111281562 186388005 /nfs/dbraw/zinc/38/80/05/186388005.db2.gz REJXVEKLRXAVRT-INIZCTEOSA-N 1 0 281.359 2.300 10 0 CEAERO CN(C(=O)c1ccc2c(c1)COC2)c1cccc(C[NH3+])c1 ZINC000111304950 186393905 /nfs/dbraw/zinc/39/39/05/186393905.db2.gz FOTQAHPWSDGYEJ-UHFFFAOYSA-N 1 0 282.343 2.452 10 0 CEAERO CN(CC1CCCC1)c1nc2ccccn2c1CC[NH3+] ZINC000111481348 186422972 /nfs/dbraw/zinc/42/29/72/186422972.db2.gz CPMDOZPGZJCGLE-UHFFFAOYSA-N 1 0 272.396 2.462 10 0 CEAERO CCC1CCN(c2c(C[C@H](C)[NH3+])c(C)nn2C)CC1 ZINC000111510713 186424887 /nfs/dbraw/zinc/42/48/87/186424887.db2.gz SSYDPNJEWLZIAF-NSHDSACASA-N 1 0 264.417 2.245 10 0 CEAERO [NH3+]C[C@H]1CC[C@H](COc2ccc(F)c(Cl)c2)O1 ZINC000111729638 186451087 /nfs/dbraw/zinc/45/10/87/186451087.db2.gz GXWJGEXWKJBLAX-NXEZZACHSA-N 1 0 259.708 2.364 10 0 CEAERO Cc1ccc2nc(CCOC3CC[NH2+]CC3)oc2c1 ZINC000111756794 186453238 /nfs/dbraw/zinc/45/32/38/186453238.db2.gz DPFPXOQYRLXMQS-UHFFFAOYSA-N 1 0 260.337 2.447 10 0 CEAERO c1cc(-c2noc(CCOC3CC[NH2+]CC3)n2)cs1 ZINC000111756697 186453528 /nfs/dbraw/zinc/45/35/28/186453528.db2.gz XIQHPXCCRRPRBB-UHFFFAOYSA-N 1 0 279.365 2.109 10 0 CEAERO Cc1ccc(C(=O)N[C@]2(C[NH3+])CCC[C@@H](C)C2)o1 ZINC000111369924 186408028 /nfs/dbraw/zinc/40/80/28/186408028.db2.gz YBOZQORUJSHTMU-QMTHXVAHSA-N 1 0 250.342 2.225 10 0 CEAERO CC[C@H](C[NH3+])Nc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000111374543 186409802 /nfs/dbraw/zinc/40/98/02/186409802.db2.gz FJDBXRXVPAFYSE-MRVPVSSYSA-N 1 0 296.314 2.129 10 0 CEAERO CCCN1C(=O)C[C@H]([NH2+][C@@H]2CCCCC[C@@H]2C)C1=O ZINC000115187111 186660284 /nfs/dbraw/zinc/66/02/84/186660284.db2.gz VIKTYCJCXOMYQR-XQQFMLRXSA-N 1 0 266.385 2.082 10 0 CEAERO CO[C@@H]1C[NH2+][C@@](C)(c2nc(-c3ccc(F)cc3)no2)C1 ZINC000629678451 351464833 /nfs/dbraw/zinc/46/48/33/351464833.db2.gz OMRZNHYZOSFMTP-SMDDNHRTSA-N 1 0 277.299 2.099 10 0 CEAERO C[C@@H]1SCC[C@@H]1[NH2+][C@H](CO)Cc1ccccc1 ZINC000119538771 186835047 /nfs/dbraw/zinc/83/50/47/186835047.db2.gz LPQKYLCOFRBMGG-UBHSHLNASA-N 1 0 251.395 2.074 10 0 CEAERO CC(C)(C(=O)Nc1ccc(CCO)cc1)[C@H]1CCC[NH2+]C1 ZINC000119581783 186837969 /nfs/dbraw/zinc/83/79/69/186837969.db2.gz FILFPIIQFIZQRV-AWEZNQCLSA-N 1 0 290.407 2.186 10 0 CEAERO CO[C@H]1C[NH2+][C@](C)(c2nc(-c3ccsc3)no2)C1 ZINC000629689003 351473071 /nfs/dbraw/zinc/47/30/71/351473071.db2.gz XNMJKDAHKMFHGM-SKDRFNHKSA-N 1 0 265.338 2.022 10 0 CEAERO C[NH2+]CCC1CCN(c2ncnc3ccccc32)CC1 ZINC000070190211 363052037 /nfs/dbraw/zinc/05/20/37/363052037.db2.gz BSDIZLRJTBRIPI-UHFFFAOYSA-N 1 0 270.380 2.456 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNc1cc(Cl)nc(N)n1 ZINC000131473432 366057404 /nfs/dbraw/zinc/05/74/04/366057404.db2.gz GPTLLYJDCZBZSL-SNVBAGLBSA-N 1 0 283.807 2.245 10 0 CEAERO COc1ccccc1-c1cc(N2CCC([NH3+])CC2)n[nH]1 ZINC000070460097 363086853 /nfs/dbraw/zinc/08/68/53/363086853.db2.gz XDCVWVZVCWHLKF-UHFFFAOYSA-N 1 0 272.352 2.013 10 0 CEAERO [NH3+]C[C@H]1CCCN1C(=O)c1cccc(Cl)c1F ZINC000131549639 366064541 /nfs/dbraw/zinc/06/45/41/366064541.db2.gz MJSQNFADSSLKST-MRVPVSSYSA-N 1 0 256.708 2.042 10 0 CEAERO CCc1nc(N[C@H]2CCC[NH2+]C2)cc(-c2ccccn2)n1 ZINC000070456616 363085370 /nfs/dbraw/zinc/08/53/70/363085370.db2.gz OMZWNJMULNKZQT-LBPRGKRZSA-N 1 0 283.379 2.265 10 0 CEAERO Cc1nc(NC[C@H]2CCC[NH2+]C2)cc(-c2ccccn2)n1 ZINC000070456386 363085380 /nfs/dbraw/zinc/08/53/80/363085380.db2.gz HSCXGRDESGOYLU-ZDUSSCGKSA-N 1 0 283.379 2.259 10 0 CEAERO CO[C@@H]1CN(C[C@@H]2CCCCC2(F)F)[C@](C)(C[NH3+])C1 ZINC000630363571 351713386 /nfs/dbraw/zinc/71/33/86/351713386.db2.gz BRPRCWUSDYMSML-AVGNSLFASA-N 1 0 276.371 2.250 10 0 CEAERO CO[C@H]1CN(C(=O)c2cccc(Cl)c2C)[C@](C)(C[NH3+])C1 ZINC000630373627 351715519 /nfs/dbraw/zinc/71/55/19/351715519.db2.gz KSRHKACBOBQSJR-ABAIWWIYSA-N 1 0 296.798 2.227 10 0 CEAERO COc1cccc(-c2ccc(N3CCC[C@@H]([NH3+])C3)nn2)c1 ZINC000070458477 363085803 /nfs/dbraw/zinc/08/58/03/363085803.db2.gz FJRZSICHARQUHZ-CYBMUJFWSA-N 1 0 284.363 2.080 10 0 CEAERO C[C@]12C[NH2+]C[C@@]1(C)CN(c1ccnc3cccnc31)C2 ZINC000630541413 351778337 /nfs/dbraw/zinc/77/83/37/351778337.db2.gz KVEYGEGLVVSPIR-IYBDPMFKSA-N 1 0 268.364 2.066 10 0 CEAERO COC(=O)C1=C(O)CC[N@@H+](C2CCCCCCC2)C1 ZINC000070460774 363088719 /nfs/dbraw/zinc/08/87/19/363088719.db2.gz LOWBNXNLNIRTMP-ZDUSSCGKSA-N 1 0 267.369 2.163 10 0 CEAERO CCc1cc2c(ncnc2N2C[C@@H](C[NH3+])[C@H](C)C2)s1 ZINC000630569996 351788277 /nfs/dbraw/zinc/78/82/77/351788277.db2.gz LOKWHHGXHWPYOF-NXEZZACHSA-N 1 0 276.409 2.285 10 0 CEAERO Cc1cc(Br)cnc1N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000630572745 351788761 /nfs/dbraw/zinc/78/87/61/351788761.db2.gz RYPCHWSLVICHLP-ZJUUUORDSA-N 1 0 284.201 2.184 10 0 CEAERO COc1cccnc1N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000630518070 351770032 /nfs/dbraw/zinc/77/00/32/351770032.db2.gz WBFWKTOZTBKIAW-CQSZACIVSA-N 1 0 275.396 2.306 10 0 CEAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1cnnn1C ZINC000122008720 187009805 /nfs/dbraw/zinc/00/98/05/187009805.db2.gz JNNTVHWEXZJSNG-KWCYVHTRSA-N 1 0 250.390 2.366 10 0 CEAERO Cc1ccc(CC(=O)N[C@H](C[NH+](C)C)c2ccccc2)cn1 ZINC000122723943 187047441 /nfs/dbraw/zinc/04/74/41/187047441.db2.gz KKZJSPVSWMNYGG-QGZVFWFLSA-N 1 0 297.402 2.352 10 0 CEAERO Cc1cnn([C@@H]2CCC[N@H+](Cc3cncs3)C2)c1 ZINC000122989817 187064818 /nfs/dbraw/zinc/06/48/18/187064818.db2.gz ISWWABVIMMZVSG-GFCCVEGCSA-N 1 0 262.382 2.485 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)CC1CC1 ZINC000124210905 187127061 /nfs/dbraw/zinc/12/70/61/187127061.db2.gz BPMMEIKYYHVTPQ-CQSZACIVSA-N 1 0 267.417 2.158 10 0 CEAERO CC[C@](C)(O)C[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000123301641 187083805 /nfs/dbraw/zinc/08/38/05/187083805.db2.gz KPBLJMROPMTQKQ-KRWDZBQOSA-N 1 0 294.414 2.494 10 0 CEAERO Cc1ccsc1[C@@H](C)[NH2+]C[C@@H](C)N1CCOCC1 ZINC000123357235 187087345 /nfs/dbraw/zinc/08/73/45/187087345.db2.gz NZJBRSYDZGTIFF-CHWSQXEVSA-N 1 0 268.426 2.428 10 0 CEAERO Cc1cnn(CC[NH2+]Cc2sc(C)nc2C)c1 ZINC000123672237 187104321 /nfs/dbraw/zinc/10/43/21/187104321.db2.gz NVGXLSNNZKVLRH-UHFFFAOYSA-N 1 0 250.371 2.055 10 0 CEAERO Cc1cnn(CC[NH2+][C@@H]2CCc3ccccc3C2)c1 ZINC000123906968 187114079 /nfs/dbraw/zinc/11/40/79/187114079.db2.gz OVJMUGUZDHWXIE-MRXNPFEDSA-N 1 0 255.365 2.339 10 0 CEAERO C[C@H](CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000070577704 363098097 /nfs/dbraw/zinc/09/80/97/363098097.db2.gz WGUZNRGLDYGSNJ-YUELXQCFSA-N 1 0 260.381 2.424 10 0 CEAERO CCCC[C@@H](C[NH3+])Nc1nccc(C(F)(F)F)n1 ZINC000130590549 187506676 /nfs/dbraw/zinc/50/66/76/187506676.db2.gz JTBTVWHIERITEJ-QMMMGPOBSA-N 1 0 262.279 2.425 10 0 CEAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccncc1Br ZINC000631079736 351953149 /nfs/dbraw/zinc/95/31/49/351953149.db2.gz PESQIEQPWCZLMU-ZYHUDNBSSA-N 1 0 285.185 2.095 10 0 CEAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1ccncc1Br ZINC000631079734 351953616 /nfs/dbraw/zinc/95/36/16/351953616.db2.gz PESQIEQPWCZLMU-JQWIXIFHSA-N 1 0 285.185 2.095 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)c1ccccc1F ZINC000092632912 539827535 /nfs/dbraw/zinc/82/75/35/539827535.db2.gz FHCRWPPPLGHYNJ-CYBMUJFWSA-N 1 0 278.371 2.425 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)c1ccccc1F ZINC000094462233 539879796 /nfs/dbraw/zinc/87/97/96/539879796.db2.gz OOULKZKZKJOKIQ-QWHCGFSZSA-N 1 0 276.355 2.177 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000252742654 539897253 /nfs/dbraw/zinc/89/72/53/539897253.db2.gz NLGFTNNWOIGLHK-HOTGVXAUSA-N 1 0 294.826 2.118 10 0 CEAERO COCCOc1cccc(NC(=O)[C@]2(C)CCCC[NH2+]2)c1 ZINC000136167092 187867826 /nfs/dbraw/zinc/86/78/26/187867826.db2.gz CAEZFBPHSUSBNE-INIZCTEOSA-N 1 0 292.379 2.183 10 0 CEAERO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2CO)cc1F ZINC000152298441 188007815 /nfs/dbraw/zinc/00/78/15/188007815.db2.gz BUYVHOIIGGPLQC-GXTWGEPZSA-N 1 0 267.344 2.475 10 0 CEAERO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2CO)cc1F ZINC000152298353 188007870 /nfs/dbraw/zinc/00/78/70/188007870.db2.gz BUYVHOIIGGPLQC-OCCSQVGLSA-N 1 0 267.344 2.475 10 0 CEAERO CC[C@H]1CN(c2nccc(C(F)(F)F)n2)CC[C@H]1[NH3+] ZINC000251626084 539982625 /nfs/dbraw/zinc/98/26/25/539982625.db2.gz FFQOXCPZYQZLCX-DTWKUNHWSA-N 1 0 274.290 2.059 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Cc2ccsc2)C1 ZINC000155622445 188217750 /nfs/dbraw/zinc/21/77/50/188217750.db2.gz VPSKWLJLAPWVKF-YPMHNXCESA-N 1 0 266.410 2.136 10 0 CEAERO Cc1ccccc1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000155411188 188204494 /nfs/dbraw/zinc/20/44/94/188204494.db2.gz PZWHJVMADMJQIR-ZFWWWQNUSA-N 1 0 260.381 2.454 10 0 CEAERO c1ncn(C[C@H]2CCC[N@H+](C[C@H]3CC=CCC3)C2)n1 ZINC000156663576 188275975 /nfs/dbraw/zinc/27/59/75/188275975.db2.gz TZPDOPIHWBOICU-GJZGRUSLSA-N 1 0 260.385 2.346 10 0 CEAERO C[C@@H]1CCCN(c2ccc(C(F)(F)F)nn2)[C@H]1C[NH3+] ZINC000252141215 540000893 /nfs/dbraw/zinc/00/08/93/540000893.db2.gz MHDQUROUPJDHJR-BDAKNGLRSA-N 1 0 274.290 2.059 10 0 CEAERO C[C@@H]([NH3+])C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000158157402 188360532 /nfs/dbraw/zinc/36/05/32/188360532.db2.gz CQMOPLYVJKVDCH-XCBNKYQSSA-N 1 0 278.249 2.283 10 0 CEAERO COc1cccc(CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000158725034 188390960 /nfs/dbraw/zinc/39/09/60/188390960.db2.gz VXQBJTSSZNAOAA-MRXNPFEDSA-N 1 0 290.407 2.180 10 0 CEAERO [NH3+]C[C@@H]1CCCN1Cc1cc(-c2ccccc2)on1 ZINC000131819915 366088918 /nfs/dbraw/zinc/08/89/18/366088918.db2.gz YATRQTODUNCAIZ-AWEZNQCLSA-N 1 0 257.337 2.265 10 0 CEAERO Cc1cnc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@H]2O)nc1 ZINC000337311566 366140627 /nfs/dbraw/zinc/14/06/27/366140627.db2.gz VELQDEWGMICZRQ-RBSFLKMASA-N 1 0 275.396 2.301 10 0 CEAERO Fc1ccc2ncnc(N3CC[N@@H+]4CCCC[C@H]4C3)c2c1 ZINC000301258265 283011343 /nfs/dbraw/zinc/01/13/43/283011343.db2.gz UKONYDGPPPJPNM-ZDUSSCGKSA-N 1 0 286.354 2.443 10 0 CEAERO CC[C@@H]1CCN(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)C1 ZINC000132492483 366148240 /nfs/dbraw/zinc/14/82/40/366148240.db2.gz ADMVZFKZMBEQEE-MJBXVCDLSA-N 1 0 267.417 2.157 10 0 CEAERO COC(=O)N1CCC([NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000495335261 291032873 /nfs/dbraw/zinc/03/28/73/291032873.db2.gz FIPNFKPLCORZSW-CLLJXQQHSA-N 1 0 284.400 2.010 10 0 CEAERO Cc1cccc([C@H](C)[NH2+]C[C@@H](O)COC[C@H]2CCCO2)c1 ZINC000157330038 540038714 /nfs/dbraw/zinc/03/87/14/540038714.db2.gz UROGMSUESHBWKC-USXIJHARSA-N 1 0 293.407 2.202 10 0 CEAERO C[C@H]1C[C@@H](C(=O)N[C@H]2CCO[C@@H](C(C)(C)C)C2)CC[NH2+]1 ZINC000262324470 291046559 /nfs/dbraw/zinc/04/65/59/291046559.db2.gz CZXSJKUJUMLHHV-XDQVBPFNSA-N 1 0 282.428 2.084 10 0 CEAERO [NH3+]CC[C@H]1CCC[C@H](C(F)(F)F)N1C(=O)C1CC1 ZINC000675072474 540114096 /nfs/dbraw/zinc/11/40/96/540114096.db2.gz CVFFWJKSQWDNSD-NXEZZACHSA-N 1 0 264.291 2.057 10 0 CEAERO O[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)C1 ZINC000380614123 540134498 /nfs/dbraw/zinc/13/44/98/540134498.db2.gz HVPQHJZYARMZPH-XQQFMLRXSA-N 1 0 295.345 2.317 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000261946098 540157481 /nfs/dbraw/zinc/15/74/81/540157481.db2.gz FZOLZDNYCRJKIC-ITSHYZCCSA-N 1 0 276.424 2.445 10 0 CEAERO C[C@@H]1Cc2ccccc2N1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054289972 540205857 /nfs/dbraw/zinc/20/58/57/540205857.db2.gz TUGQYOACJPHPHG-CHWSQXEVSA-N 1 0 258.365 2.354 10 0 CEAERO CCOC1(C)CC[NH+](C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000385262050 540227062 /nfs/dbraw/zinc/22/70/62/540227062.db2.gz WDWNPSONGXCZPD-UONOGXRCSA-N 1 0 255.402 2.429 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1ccco1 ZINC000175005222 188928187 /nfs/dbraw/zinc/92/81/87/188928187.db2.gz DIUDJTBBCQNCJU-ZIAGYGMSSA-N 1 0 276.380 2.297 10 0 CEAERO CCC[C@@H](C(=O)N[C@@H](C)c1ncc(C)s1)[NH+](C)C ZINC000133703487 366249547 /nfs/dbraw/zinc/24/95/47/366249547.db2.gz FLVXELQJNHSMHG-QWRGUYRKSA-N 1 0 269.414 2.359 10 0 CEAERO Cc1cc(Br)cnc1N[C@H](C)CC[NH3+] ZINC000134271720 366305526 /nfs/dbraw/zinc/30/55/26/366305526.db2.gz YSYXZJPVTBCTBJ-MRVPVSSYSA-N 1 0 258.163 2.302 10 0 CEAERO CCc1cc(C[NH3+])c(I)cc1OC ZINC000575725911 366349103 /nfs/dbraw/zinc/34/91/03/366349103.db2.gz OXWOSDSSXAGZGZ-UHFFFAOYSA-N 1 0 291.132 2.321 10 0 CEAERO CC1(C)[C@H]([NH2+]CC2(CO)CCCCC2)[C@@H]2CCO[C@H]21 ZINC000228202660 538806292 /nfs/dbraw/zinc/80/62/92/538806292.db2.gz ODAUXHXYUSKNJZ-BFHYXJOUSA-N 1 0 267.413 2.332 10 0 CEAERO CCC(CC)CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000119860700 538809732 /nfs/dbraw/zinc/80/97/32/538809732.db2.gz VFJHICNPBDIPIR-JSGCOSHPSA-N 1 0 269.433 2.451 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)N1CCc2ccc(F)cc21 ZINC000227425547 538833802 /nfs/dbraw/zinc/83/38/02/538833802.db2.gz UABDMOCLWUBAQQ-YPMHNXCESA-N 1 0 262.328 2.090 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)NCCc1ccc(Cl)s1 ZINC000225809958 538881090 /nfs/dbraw/zinc/88/10/90/538881090.db2.gz PDYGBSUNEKQZRC-JTQLQIEISA-N 1 0 274.817 2.434 10 0 CEAERO C[C@@H](NC(=O)[C@]1(C)CCC[NH2+]1)c1cc(F)ccc1F ZINC000079513000 538890922 /nfs/dbraw/zinc/89/09/22/538890922.db2.gz CFCYQXYZGZWMKD-OTYXRUKQSA-N 1 0 268.307 2.284 10 0 CEAERO CCCc1nsc(N2CC[C@H]([NH3+])[C@@H](CC)C2)n1 ZINC000226038894 538892156 /nfs/dbraw/zinc/89/21/56/538892156.db2.gz DKXTTZOXRHRGIM-UWVGGRQHSA-N 1 0 254.403 2.054 10 0 CEAERO O[C@H]1CCC[C@@H]1[C@H]1CCC[N@@H+]1C[C@H]1CCC[C@@H](O)C1 ZINC000389067856 540337179 /nfs/dbraw/zinc/33/71/79/540337179.db2.gz VMXTVPAWSXYZAQ-GCSSGZNBSA-N 1 0 267.413 2.163 10 0 CEAERO COC1(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)CCC1 ZINC000336190622 213008926 /nfs/dbraw/zinc/00/89/26/213008926.db2.gz IVYXGMIATULFAL-HIFRSBDPSA-N 1 0 253.386 2.183 10 0 CEAERO C[C@H]([NH2+]CC1(C)COC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400418527 299279484 /nfs/dbraw/zinc/27/94/84/299279484.db2.gz VZYWJJAWJDISKX-QWHCGFSZSA-N 1 0 298.427 2.258 10 0 CEAERO [NH3+]CCN1CCC(c2ccc(C(F)(F)F)cn2)CC1 ZINC000095080968 283435847 /nfs/dbraw/zinc/43/58/47/283435847.db2.gz JCSWAOZMGDQTRZ-UHFFFAOYSA-N 1 0 273.302 2.239 10 0 CEAERO Cc1cccc(F)c1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000225016140 540585368 /nfs/dbraw/zinc/58/53/68/540585368.db2.gz ZJFPRZKNMGJYMO-LLVKDONJSA-N 1 0 250.317 2.462 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccccc1F ZINC000177025842 189021835 /nfs/dbraw/zinc/02/18/35/189021835.db2.gz HAVBUDYMVFDHBW-CQSZACIVSA-N 1 0 293.386 2.451 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cc1ccccc1C ZINC000177035241 189022956 /nfs/dbraw/zinc/02/29/56/189022956.db2.gz XCFPTFKHPICECF-INIZCTEOSA-N 1 0 274.408 2.480 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](C)c1ccccn1 ZINC000177334555 189044391 /nfs/dbraw/zinc/04/43/91/189044391.db2.gz WZYOXKBGYOYCMM-KBPBESRZSA-N 1 0 290.411 2.268 10 0 CEAERO C[C@H](CS(C)(=O)=O)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000081899565 363744405 /nfs/dbraw/zinc/74/44/05/363744405.db2.gz IPPHGOJPWNVQBD-RKDXNWHRSA-N 1 0 277.336 2.049 10 0 CEAERO CC(C)Cc1nn2c(c1Br)NCC[C@@H]2C[NH3+] ZINC000232647354 542257905 /nfs/dbraw/zinc/25/79/05/542257905.db2.gz VMEIFBLEUCLZAH-MRVPVSSYSA-N 1 0 287.205 2.160 10 0 CEAERO C[C@H](C(=O)N[C@@H](C[NH+](C)C)c1ccccc1)C1CC1 ZINC000178398757 189113145 /nfs/dbraw/zinc/11/31/45/189113145.db2.gz MYVBBYMURILNNX-WFASDCNBSA-N 1 0 260.381 2.452 10 0 CEAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1CCn1cc(Cl)cn1 ZINC000336322435 213167191 /nfs/dbraw/zinc/16/71/91/213167191.db2.gz ZRGAQLMXFBHGSK-JSGCOSHPSA-N 1 0 282.819 2.095 10 0 CEAERO C[C@@H]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)O1 ZINC000152019643 366683661 /nfs/dbraw/zinc/68/36/61/366683661.db2.gz COFWFKDNMVTTJY-KFWWJZLASA-N 1 0 280.412 2.031 10 0 CEAERO Cc1cc(C)c(CC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000179913164 189227616 /nfs/dbraw/zinc/22/76/16/189227616.db2.gz SRZJLMGNMRSGCY-MRXNPFEDSA-N 1 0 286.419 2.461 10 0 CEAERO COc1c(C)cc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1C ZINC000179913299 189227881 /nfs/dbraw/zinc/22/78/81/189227881.db2.gz XXXUCWIUWBRGAU-OAHLLOKOSA-N 1 0 288.391 2.232 10 0 CEAERO CCCCOC[C@H](O)C[NH2+][C@@H]1CCC[C@H]1SCC ZINC000300659023 200898703 /nfs/dbraw/zinc/89/87/03/200898703.db2.gz LYGVAJTYMYAWNM-MGPQQGTHSA-N 1 0 275.458 2.428 10 0 CEAERO CC1CC(C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C1 ZINC000638666395 370672679 /nfs/dbraw/zinc/67/26/79/370672679.db2.gz FFUGXAWSQFYYKE-UHFFFAOYSA-N 1 0 260.337 2.153 10 0 CEAERO Cn1cc([C@H]2CC[N@H+](CCCC(=O)OC(C)(C)C)C2)cn1 ZINC000181890523 189309484 /nfs/dbraw/zinc/30/94/84/189309484.db2.gz SKRVMOBNCDHTBA-ZDUSSCGKSA-N 1 0 293.411 2.331 10 0 CEAERO Cc1nn(C)c(Cl)c1CN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000083552891 363780079 /nfs/dbraw/zinc/78/00/79/363780079.db2.gz IXEFQNLAWIITJD-JQWIXIFHSA-N 1 0 282.819 2.050 10 0 CEAERO CCc1noc(C)c1NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000154297375 366767795 /nfs/dbraw/zinc/76/77/95/366767795.db2.gz GTJSFQLWYZZAGU-UWVGGRQHSA-N 1 0 251.330 2.001 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](C)c1cccc(F)c1F ZINC000182921238 189339515 /nfs/dbraw/zinc/33/95/15/189339515.db2.gz TXTPJFRGTPMIFQ-GZMMTYOYSA-N 1 0 256.296 2.269 10 0 CEAERO N#CC(C#N)=CC(C(=O)c1ccccc1)[n+]1ccccc1 ZINC000015952921 361481498 /nfs/dbraw/zinc/48/14/98/361481498.db2.gz IZVVBDDCCUDZBK-LFIBNONCSA-N 1 0 274.303 2.361 10 0 CEAERO c1ccc(-n2c3ccccc3nc2N2CC[NH2+]CC2)cc1 ZINC000019946406 361570062 /nfs/dbraw/zinc/57/00/62/361570062.db2.gz RBTFXSZFSSDOAJ-UHFFFAOYSA-N 1 0 278.359 2.435 10 0 CEAERO CCCc1nsc(N(CCC)[C@H]2CC[NH2+]C2)n1 ZINC000087642667 363865670 /nfs/dbraw/zinc/86/56/70/363865670.db2.gz YWSSKQNYPGOKFU-JTQLQIEISA-N 1 0 254.403 2.069 10 0 CEAERO C[C@H]1CN(C(=O)c2ccc3cc[nH]c3c2)C[C@@H]1[NH+](C)C ZINC000089710215 363994620 /nfs/dbraw/zinc/99/46/20/363994620.db2.gz FKBFMFBDOOCXJE-NHYWBVRUSA-N 1 0 271.364 2.190 10 0 CEAERO O=C(C[C@H]1CSCC[NH2+]1)N[C@@H]1CCCc2ccccc21 ZINC000091134578 364069824 /nfs/dbraw/zinc/06/98/24/364069824.db2.gz CAFHXVBNTHDEQR-DZGCQCFKSA-N 1 0 290.432 2.275 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cnn(C(C)(C)C)c1 ZINC000093437707 364181485 /nfs/dbraw/zinc/18/14/85/364181485.db2.gz TVAQQCBVVBFBDX-DZGCQCFKSA-N 1 0 276.428 2.307 10 0 CEAERO [NH3+][C@@H]1CC[C@H](C(=O)Nc2nc(-c3ccccn3)cs2)C1 ZINC000237971054 370764204 /nfs/dbraw/zinc/76/42/04/370764204.db2.gz ZYXXCSGFAKWACY-VHSXEESVSA-N 1 0 288.376 2.271 10 0 CEAERO Cn1nc(CC(C)(C)C)cc1NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000237672862 370744326 /nfs/dbraw/zinc/74/43/26/370744326.db2.gz AVVKOPHUBCLKMX-NWDGAFQWSA-N 1 0 292.427 2.465 10 0 CEAERO Cc1ccc(OCCCNC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000237717191 370746840 /nfs/dbraw/zinc/74/68/40/370746840.db2.gz HSLNSHPQERFRFN-KGLIPLIRSA-N 1 0 276.380 2.008 10 0 CEAERO Cc1ccc(OCCCNC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000237717572 370746974 /nfs/dbraw/zinc/74/69/74/370746974.db2.gz HSLNSHPQERFRFN-UONOGXRCSA-N 1 0 276.380 2.008 10 0 CEAERO CC1(C)CCCC[C@H]1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000094328064 364264799 /nfs/dbraw/zinc/26/47/99/364264799.db2.gz UIPGNSSHDQSWIJ-QWHCGFSZSA-N 1 0 252.402 2.461 10 0 CEAERO Clc1ncc(COC[C@H]2CCC[NH2+]2)c(Cl)n1 ZINC000095070214 364329617 /nfs/dbraw/zinc/32/96/17/364329617.db2.gz GVZRPGKARPHVLN-MRVPVSSYSA-N 1 0 262.140 2.052 10 0 CEAERO Clc1cc(OCCC[C@@H]2CCC[NH2+]C2)ncn1 ZINC000095069829 364329742 /nfs/dbraw/zinc/32/97/42/364329742.db2.gz PRLAFADMUHUTGJ-JTQLQIEISA-N 1 0 255.749 2.289 10 0 CEAERO Clc1ccnc(OCCC[C@H]2CCC[NH2+]C2)n1 ZINC000095070172 364330277 /nfs/dbraw/zinc/33/02/77/364330277.db2.gz MWOLQMJEDIJZDK-SNVBAGLBSA-N 1 0 255.749 2.289 10 0 CEAERO CN(c1nc2ccccc2nc1Cl)[C@@H]1CC[NH2+]C1 ZINC000095070546 364331000 /nfs/dbraw/zinc/33/10/00/364331000.db2.gz UOKSABVOXJCLPZ-SECBINFHSA-N 1 0 262.744 2.081 10 0 CEAERO CN(C[C@H]1CC[NH2+]C1)c1nc2ccccc2nc1Cl ZINC000095071255 364331526 /nfs/dbraw/zinc/33/15/26/364331526.db2.gz UXRREJMTMLHRSB-JTQLQIEISA-N 1 0 276.771 2.329 10 0 CEAERO O=[S@@](C[C@@H]1CC[NH2+]C1)c1nc2ccccc2s1 ZINC000095073684 364333674 /nfs/dbraw/zinc/33/36/74/364333674.db2.gz DVHQKWYZCJYFQT-VVVCHXIZSA-N 1 0 266.391 2.013 10 0 CEAERO CC(C)(C)OC(=O)N1CCC([C@H](CCO)[NH2+]C2CC2)CC1 ZINC000095083482 364336655 /nfs/dbraw/zinc/33/66/55/364336655.db2.gz RYGYGGVFTAMZBO-AWEZNQCLSA-N 1 0 298.427 2.137 10 0 CEAERO CCS(=O)(=O)c1ccc(N[C@H](C)CCC[NH3+])cc1 ZINC000094948141 364313371 /nfs/dbraw/zinc/31/33/71/364313371.db2.gz FZQFYGYRGOYKCE-LLVKDONJSA-N 1 0 270.398 2.020 10 0 CEAERO CCc1cc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)[nH]n1 ZINC000097218557 364481306 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BHALOBGBVKSUOQ-GWCFXTLKSA-N 1 0 266.772 2.344 10 0 CEAERO CCc1ccc(CC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000172907438 367840051 /nfs/dbraw/zinc/84/00/51/367840051.db2.gz APSGUKZLQWGKKH-MRXNPFEDSA-N 1 0 272.392 2.098 10 0 CEAERO C[N@H+](CCc1cccs1)C[C@@H](O)COC(C)(C)C ZINC000174158419 367991710 /nfs/dbraw/zinc/99/17/10/367991710.db2.gz GEAVVRBOMPJYMZ-GFCCVEGCSA-N 1 0 271.426 2.398 10 0 CEAERO CC[C@@H]1CN(C(=O)C2CCCCCC2)CC[N@@H+]1C[C@@H](C)O ZINC000174616951 368047271 /nfs/dbraw/zinc/04/72/71/368047271.db2.gz ASBXRIHTHIGPMH-GDBMZVCRSA-N 1 0 296.455 2.260 10 0 CEAERO C[C@H]1CN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)C[C@H]1[NH3+] ZINC000335522461 212211973 /nfs/dbraw/zinc/21/19/73/212211973.db2.gz VJCPYGKZDIYXIN-GXFFZTMASA-N 1 0 296.798 2.303 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccnc1C ZINC000175006935 368088771 /nfs/dbraw/zinc/08/87/71/368088771.db2.gz KBFHMOACZLGBAA-UONOGXRCSA-N 1 0 273.380 2.089 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc(C)nc1 ZINC000175023550 368090347 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Cc1ccc2c(c1)OCCC[C@H]2[NH2+][C@@H]1CCc2ncnn2C1 ZINC000180598630 368387460 /nfs/dbraw/zinc/38/74/60/368387460.db2.gz RXVVYRLWKWJXPT-UKRRQHHQSA-N 1 0 298.390 2.405 10 0 CEAERO C[NH+](C)C[C@@H](NC(=O)c1ccc(F)cn1)c1ccccc1 ZINC000181658616 368479730 /nfs/dbraw/zinc/47/97/30/368479730.db2.gz RXGSBSWYGKYKLS-OAHLLOKOSA-N 1 0 287.338 2.253 10 0 CEAERO C[C@@H]1CN(C(=O)CSc2ccccc2Cl)C[C@H]1[NH3+] ZINC000335483758 212159030 /nfs/dbraw/zinc/15/90/30/212159030.db2.gz PYFAQWXGFOHLFE-MWLCHTKSSA-N 1 0 284.812 2.238 10 0 CEAERO C[C@H]1CN(C(=O)c2occc2-c2ccccc2)C[C@@H]1[NH3+] ZINC000335482657 212156498 /nfs/dbraw/zinc/15/64/98/212156498.db2.gz HOKNPNSJVQOZIE-FZMZJTMJSA-N 1 0 270.332 2.366 10 0 CEAERO CCC[C@H](C(=O)NCCCNc1cccc(F)c1)[NH+](C)C ZINC000182061663 368520664 /nfs/dbraw/zinc/52/06/64/368520664.db2.gz SJOJUEJVYKRYSJ-OAHLLOKOSA-N 1 0 295.402 2.474 10 0 CEAERO CCC[C@@H](CC)[NH2+][C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182338874 368554488 /nfs/dbraw/zinc/55/44/88/368554488.db2.gz UHMMVQQYCBUTLY-KGLIPLIRSA-N 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C[NH+](C)C[C@H](N[C@@H]1CCn2ccnc21)c1ccccc1 ZINC000293880543 377804084 /nfs/dbraw/zinc/80/40/84/377804084.db2.gz FRQIOWRGSLYILW-CABCVRRESA-N 1 0 270.380 2.220 10 0 CEAERO C[C@H]1CN(Cc2cccc(O)c2Cl)C[C@@H]1[NH+](C)C ZINC000294043511 377883566 /nfs/dbraw/zinc/88/35/66/377883566.db2.gz WKZZYTVRPAJXBZ-JQWIXIFHSA-N 1 0 268.788 2.428 10 0 CEAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000300583883 379175188 /nfs/dbraw/zinc/17/51/88/379175188.db2.gz MEYQHEDGVNFPGU-VOAKCMCISA-N 1 0 259.415 2.120 10 0 CEAERO Cc1cc(NC[C@H](CO)Cc2ccccn2)cc[nH+]1 ZINC000302232270 379339869 /nfs/dbraw/zinc/33/98/69/379339869.db2.gz YHTHJOUURXSDLT-CYBMUJFWSA-N 1 0 257.337 2.048 10 0 CEAERO CC[N@H+](C)[C@H]1CCN(c2cc(C)nc(-c3cccnc3)n2)C1 ZINC000302740680 379442836 /nfs/dbraw/zinc/44/28/36/379442836.db2.gz CPZKLINVZAMENR-HNNXBMFYSA-N 1 0 297.406 2.377 10 0 CEAERO C[C@]1(CO)C[N@@H+](C[C@H]2CCCCC2(F)F)C[C@@]1(C)CO ZINC000528752865 380079486 /nfs/dbraw/zinc/07/94/86/380079486.db2.gz GMQAKZYJOAVXMB-MCIONIFRSA-N 1 0 291.382 2.125 10 0 CEAERO C[C@H]1C[C@@H](O)C[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000334746875 207008468 /nfs/dbraw/zinc/00/84/68/207008468.db2.gz RZIVMLVCDOTBKL-SWLSCSKDSA-N 1 0 256.349 2.438 10 0 CEAERO C[C@@H]1C[C@@H](O)C[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000334746873 207009020 /nfs/dbraw/zinc/00/90/20/207009020.db2.gz RZIVMLVCDOTBKL-IUODEOHRSA-N 1 0 256.349 2.438 10 0 CEAERO CC(C)CN(CC(C)C)C(=O)C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000183148448 542287823 /nfs/dbraw/zinc/28/78/23/542287823.db2.gz TXTQSHGFYJOHBZ-LSDHHAIUSA-N 1 0 284.444 2.284 10 0 CEAERO CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000183137595 542287849 /nfs/dbraw/zinc/28/78/49/542287849.db2.gz FIGIYSVRHJTJOA-MJBXVCDLSA-N 1 0 270.417 2.037 10 0 CEAERO CNC(=O)[C@H]([NH2+]CCCOc1ccc(C)c(C)c1)C(C)C ZINC000183649534 542294205 /nfs/dbraw/zinc/29/42/05/542294205.db2.gz MOLYSRLVOJVIFS-MRXNPFEDSA-N 1 0 292.423 2.433 10 0 CEAERO C[C@H](COCc1ccccc1)Nc1cc[nH+]cc1C(N)=O ZINC000184125606 542298128 /nfs/dbraw/zinc/29/81/28/542298128.db2.gz CQUGXSSVCCYKFT-GFCCVEGCSA-N 1 0 285.347 2.198 10 0 CEAERO c1cn(C[C@H]2CCC[N@@H+]2Cc2cccc3nccn32)cn1 ZINC000188411897 542321594 /nfs/dbraw/zinc/32/15/94/542321594.db2.gz ICQNWIAJFAMARU-CQSZACIVSA-N 1 0 281.363 2.195 10 0 CEAERO CO[C@@H]1C[NH2+][C@@H](CN(C)Cc2ccc(Cl)s2)C1 ZINC000042489356 184554526 /nfs/dbraw/zinc/55/45/26/184554526.db2.gz HVPDAFTXPQGOAS-ZJUUUORDSA-N 1 0 274.817 2.210 10 0 CEAERO [NH3+][C@H]1CCC2(C[C@@H]1Sc1ccccc1)OCCO2 ZINC000081838825 184596834 /nfs/dbraw/zinc/59/68/34/184596834.db2.gz FHDBSMRCCKSSIZ-STQMWFEESA-N 1 0 265.378 2.402 10 0 CEAERO CC[C@](C)(C[NH3+])OCC(=O)Nc1ccccc1C ZINC000086710007 184609733 /nfs/dbraw/zinc/60/97/33/184609733.db2.gz QLTUVEDKDUNXSJ-CQSZACIVSA-N 1 0 250.342 2.078 10 0 CEAERO C[C@@H](OC1(C[NH3+])CCC(C)CC1)C(=O)NC1CCCC1 ZINC000086711541 184610439 /nfs/dbraw/zinc/61/04/39/184610439.db2.gz GIPYMKAHIDTDNO-MFOWVQHXSA-N 1 0 282.428 2.358 10 0 CEAERO CCCN(CC)S(=O)(=O)Cc1cccc(C[NH2+]CC)c1 ZINC000088945124 184614939 /nfs/dbraw/zinc/61/49/39/184614939.db2.gz KFPHFWRUDVRBGY-UHFFFAOYSA-N 1 0 298.452 2.358 10 0 CEAERO CCCN(C1CC1)S(=O)(=O)c1ccc(CCC[NH3+])cc1 ZINC000088946138 184615130 /nfs/dbraw/zinc/61/51/30/184615130.db2.gz IJLVKKSFGHEYCI-UHFFFAOYSA-N 1 0 296.436 2.141 10 0 CEAERO Cc1ccc(C)c(CC(=O)NC[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000089166653 184615944 /nfs/dbraw/zinc/61/59/44/184615944.db2.gz HIGHRSRPVKXCMJ-DZGCQCFKSA-N 1 0 260.381 2.090 10 0 CEAERO CC[NH2+]Cc1cc(OC)c(OCCC(C)(C)O)c(OC)c1 ZINC000092800166 184627573 /nfs/dbraw/zinc/62/75/73/184627573.db2.gz QHNQDQOGCAIHFV-UHFFFAOYSA-N 1 0 297.395 2.353 10 0 CEAERO CC(C)(C)OC[C@@H](O)C[NH2+]CC1C(C)(C)C1(C)C ZINC000092816688 184628453 /nfs/dbraw/zinc/62/84/53/184628453.db2.gz QBNBEMQLEIWUMP-NSHDSACASA-N 1 0 257.418 2.434 10 0 CEAERO C[NH2+]C[C@@H]1CCO[C@@H]1c1ccc(OC)cc1OC ZINC000092862774 184632787 /nfs/dbraw/zinc/63/27/87/184632787.db2.gz ONJTVPXFNHBDKD-HZMBPMFUSA-N 1 0 251.326 2.001 10 0 CEAERO CC[NH2+]C[C@H]1CCO[C@@H]1c1ccc(OC)cc1OC ZINC000092863305 184633083 /nfs/dbraw/zinc/63/30/83/184633083.db2.gz NZIKNGYJCFPMHM-ABAIWWIYSA-N 1 0 265.353 2.391 10 0 CEAERO CC(C)C[NH2+]C[C@H]1CCCO[C@@H]1c1cnn(C)c1 ZINC000092888165 184633697 /nfs/dbraw/zinc/63/36/97/184633697.db2.gz HOSPTEFHJXBAJJ-OCCSQVGLSA-N 1 0 251.374 2.133 10 0 CEAERO CCn1nc(C)cc1CC1(c2ccccc2F)C[NH2+]C1 ZINC000093196993 184654694 /nfs/dbraw/zinc/65/46/94/184654694.db2.gz URVPQKNQOAAGSK-UHFFFAOYSA-N 1 0 273.355 2.434 10 0 CEAERO CCn1cc(CC2(c3cccc(F)c3)C[NH2+]C2)cn1 ZINC000093196646 184654767 /nfs/dbraw/zinc/65/47/67/184654767.db2.gz VBCOELGKLCZTED-UHFFFAOYSA-N 1 0 259.328 2.126 10 0 CEAERO CCc1cc(CC2(c3cccc(C)c3)C[NH2+]C2)n(C)n1 ZINC000093196490 184654871 /nfs/dbraw/zinc/65/48/71/184654871.db2.gz IIKYAWLURXLDCI-UHFFFAOYSA-N 1 0 269.392 2.375 10 0 CEAERO CN(C)C(=O)c1ccc(Cl)cc1N[C@H]1CC[C@H]([NH3+])C1 ZINC000093207171 184655686 /nfs/dbraw/zinc/65/56/86/184655686.db2.gz WTNMVVCPHNVTAT-QWRGUYRKSA-N 1 0 281.787 2.334 10 0 CEAERO CC[NH2+]C[C@H](c1ccccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000093104660 184649663 /nfs/dbraw/zinc/64/96/63/184649663.db2.gz CUPZQASHFITGST-HIFRSBDPSA-N 1 0 281.421 2.123 10 0 CEAERO CCS(=O)(=O)CC[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000093166197 184653290 /nfs/dbraw/zinc/65/32/90/184653290.db2.gz WDHXGIOKKSVQDW-NSHDSACASA-N 1 0 275.801 2.207 10 0 CEAERO CCC[NH2+]C[C@H](C)S(=O)(=O)N(CC)C[C@@H](C)CC ZINC000093265901 184659592 /nfs/dbraw/zinc/65/95/92/184659592.db2.gz XATSHIICRBSSHN-STQMWFEESA-N 1 0 278.462 2.072 10 0 CEAERO CCOC(OCC)[C@H](Cc1cccc(F)c1F)[NH2+]C ZINC000093306880 184661778 /nfs/dbraw/zinc/66/17/78/184661778.db2.gz WBUWMFKSTYERAC-LBPRGKRZSA-N 1 0 273.323 2.494 10 0 CEAERO CC[C@@H]([NH3+])CC1=NC(=O)C2(CCCCCC2)C(=O)N1 ZINC000093326881 184664957 /nfs/dbraw/zinc/66/49/57/184664957.db2.gz SVFFKNQCWAHLBE-SNVBAGLBSA-N 1 0 265.357 2.350 10 0 CEAERO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CCC[C@H]2C[NH3+])c(C)c1 ZINC000089091789 291822263 /nfs/dbraw/zinc/82/22/63/291822263.db2.gz DCWCDINWTIWRSR-UONOGXRCSA-N 1 0 296.436 2.018 10 0 CEAERO COCCN1CC[N@H+](C[C@@H]2CCC[C@H](C)C2)C[C@@H]1C ZINC000245578242 285050056 /nfs/dbraw/zinc/05/00/56/285050056.db2.gz AGVMUBKMCQQILH-HRCADAONSA-N 1 0 268.445 2.465 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)N(C)[C@H](C)CC(C)C ZINC000245473581 285239270 /nfs/dbraw/zinc/23/92/70/285239270.db2.gz QBKAFSCIUILPQX-HZPDHXFCSA-N 1 0 297.487 2.296 10 0 CEAERO CCOC(=O)[C@H](C)N[C@@H]1CCCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000093495047 184684560 /nfs/dbraw/zinc/68/45/60/184684560.db2.gz AOBINJALQRZICA-LJISPDSOSA-N 1 0 282.428 2.229 10 0 CEAERO C[C@@]1(c2ccccc2Br)CNC(=[NH2+])N1C1CC1 ZINC000093373969 184668111 /nfs/dbraw/zinc/66/81/11/184668111.db2.gz VTXWUASHUCTJLL-ZDUSSCGKSA-N 1 0 294.196 2.457 10 0 CEAERO CC(C)N1C(=[NH2+])NC[C@]1(C)c1ccc(F)c(F)c1 ZINC000093374161 184668135 /nfs/dbraw/zinc/66/81/35/184668135.db2.gz HXVQNWZUOGVVFI-CYBMUJFWSA-N 1 0 253.296 2.219 10 0 CEAERO CCCCCC[C@H]1C[NH+]=C(N)N1C[C@@H]1CCCO1 ZINC000093377612 184668764 /nfs/dbraw/zinc/66/87/64/184668764.db2.gz GMCLRFBPFKCNRG-STQMWFEESA-N 1 0 253.390 2.135 10 0 CEAERO Cc1n[nH]c(C)c1[C@@H]1CNC(=[NH2+])N1c1ccccc1 ZINC000093382059 184669450 /nfs/dbraw/zinc/66/94/50/184669450.db2.gz VUYMZMSQRILVCD-LBPRGKRZSA-N 1 0 255.325 2.112 10 0 CEAERO [NH3+]Cc1c(F)cccc1N(CCO)C1CCCCC1 ZINC000093395350 184671402 /nfs/dbraw/zinc/67/14/02/184671402.db2.gz FWKCCVXOJDMFNN-UHFFFAOYSA-N 1 0 266.360 2.416 10 0 CEAERO CCOc1ccc(N)c(SC[C@@H]2CC[NH2+]C2)c1 ZINC000093412573 184671760 /nfs/dbraw/zinc/67/17/60/184671760.db2.gz KCLVIEZUWIYQAL-SNVBAGLBSA-N 1 0 252.383 2.369 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)NC2(C)CCCCC2)C1 ZINC000116535538 285267548 /nfs/dbraw/zinc/26/75/48/285267548.db2.gz GGHHFUHECZFAGI-ZDUSSCGKSA-N 1 0 267.417 2.493 10 0 CEAERO CCC[NH2+][C@@H]1CCC(C)(C)C[C@@H]1S(=O)(=O)CC ZINC000081925290 177898590 /nfs/dbraw/zinc/89/85/90/177898590.db2.gz RZIOHLHPQYUGPD-NEPJUHHUSA-N 1 0 261.431 2.368 10 0 CEAERO CCCCS(=O)(=O)[C@H]1CCc2ccccc2[C@@H]1[NH2+]C ZINC000081973420 177909496 /nfs/dbraw/zinc/90/94/96/177909496.db2.gz PBDHVUGWMLFCAS-GJZGRUSLSA-N 1 0 281.421 2.477 10 0 CEAERO C[NH2+][C@H]1CCCCC[C@@H]1Sc1nnc(C)n1C ZINC000081886284 177877652 /nfs/dbraw/zinc/87/76/52/177877652.db2.gz OPGKKLZYJYIJED-QWRGUYRKSA-N 1 0 254.403 2.136 10 0 CEAERO CCC[NH2+][C@H](CC)[C@@H](C)Sc1n[nH]c(=O)n1CCC ZINC000081879329 177872868 /nfs/dbraw/zinc/87/28/68/177872868.db2.gz CUGXRGOFLBLLSS-GHMZBOCLSA-N 1 0 286.445 2.240 10 0 CEAERO CC[C@@H]1CC[C@@H]([NH2+]C)[C@H](Sc2nnnn2C2CC2)C1 ZINC000081867404 177867286 /nfs/dbraw/zinc/86/72/86/177867286.db2.gz PHVSZNDGWXIRFI-YUSALJHKSA-N 1 0 281.429 2.267 10 0 CEAERO CCOc1ccc([C@@H](C)[NH3+])cc1CSCCO ZINC000081811524 177864481 /nfs/dbraw/zinc/86/44/81/177864481.db2.gz GJZYIESIBNFZDP-SNVBAGLBSA-N 1 0 255.383 2.331 10 0 CEAERO CC[NH2+][C@H](CSc1nnc(N(C)C)s1)C1CC1 ZINC000081769481 177856602 /nfs/dbraw/zinc/85/66/02/177856602.db2.gz VOPZJHNNBFGNDE-SECBINFHSA-N 1 0 272.443 2.084 10 0 CEAERO CCN(c1nccc(C(F)(F)F)n1)[C@H]1CCC[NH2+]C1 ZINC000081587077 177825341 /nfs/dbraw/zinc/82/53/41/177825341.db2.gz FKMCPDMUXGSXHL-VIFPVBQESA-N 1 0 274.290 2.074 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)Nc1cccc(C(N)=S)n1 ZINC000081615664 177831963 /nfs/dbraw/zinc/83/19/63/177831963.db2.gz FRXMHZGKVWTTKS-LLVKDONJSA-N 1 0 280.441 2.104 10 0 CEAERO [NH3+]C1(COc2nccn(C3CC3)c2=O)CCCCCC1 ZINC000080902055 177725391 /nfs/dbraw/zinc/72/53/91/177725391.db2.gz WKRHRTBSQRFFRV-UHFFFAOYSA-N 1 0 277.368 2.009 10 0 CEAERO CCCN(CCC[NH+](C)C)C(=O)N[C@@H](C)C(C)C ZINC000188445900 262297028 /nfs/dbraw/zinc/29/70/28/262297028.db2.gz ZGKUICNQIINKDB-ZDUSSCGKSA-N 1 0 257.422 2.404 10 0 CEAERO Cc1nc2ccccc2n(CC[C@H]2CCC[C@H]2[NH3+])c1=O ZINC000093557260 184691219 /nfs/dbraw/zinc/69/12/19/184691219.db2.gz XJXTWBMEEFFZQM-CHWSQXEVSA-N 1 0 271.364 2.222 10 0 CEAERO CCC1CC[NH+](CC[C@H]2CCC[C@@]2([NH2+]C)C(=O)[O-])CC1 ZINC000093592474 184693964 /nfs/dbraw/zinc/69/39/64/184693964.db2.gz FAAIUFRBLFHRLA-ZBFHGGJFSA-N 1 0 282.428 2.341 10 0 CEAERO C[NH2+][C@]1(C(N)=O)CCC[C@H]1CCN(C)c1cccc(C)c1 ZINC000093592761 184694300 /nfs/dbraw/zinc/69/43/00/184694300.db2.gz IVUOLTBKBJVZCY-WMLDXEAASA-N 1 0 289.423 2.065 10 0 CEAERO C[NH2+][C@]1(C(N)=O)CCC[C@H]1CCOCCCC(C)C ZINC000093619169 184697031 /nfs/dbraw/zinc/69/70/31/184697031.db2.gz UFQQPHZEFPICIO-DZGCQCFKSA-N 1 0 270.417 2.073 10 0 CEAERO CC(C)[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCOC1CCCC1 ZINC000093621573 184697338 /nfs/dbraw/zinc/69/73/38/184697338.db2.gz YGKZWCYKNOOMTN-CZUORRHYSA-N 1 0 282.428 2.358 10 0 CEAERO CC(C)COCC[C@H]1CCC[C@@]1(CO)[NH2+]C1CC1 ZINC000093620454 184697527 /nfs/dbraw/zinc/69/75/27/184697527.db2.gz CZAUDEOHFFSCEX-HIFRSBDPSA-N 1 0 255.402 2.332 10 0 CEAERO COC(=O)[C@]1([NH3+])CCC[C@H]1CCOc1cc(F)cc(F)c1 ZINC000093625729 184698270 /nfs/dbraw/zinc/69/82/70/184698270.db2.gz ROHWLBYHEAKGFV-BONVTDFDSA-N 1 0 299.317 2.404 10 0 CEAERO COc1ccc(SCC[C@H]2CCC[C@@]2([NH3+])C(N)=O)cc1 ZINC000093629123 184698611 /nfs/dbraw/zinc/69/86/11/184698611.db2.gz OFXXKYKSZPQZQJ-ABAIWWIYSA-N 1 0 294.420 2.160 10 0 CEAERO CCC1CCC(C[NH3+])([C@H](O)c2cnn(C)c2C)CC1 ZINC000093653047 184702649 /nfs/dbraw/zinc/70/26/49/184702649.db2.gz OXMQTFRTWFPOEI-HNFVBEJKSA-N 1 0 265.401 2.307 10 0 CEAERO CCC[NH2+][C@H](CCC)Cc1nc([C@@H](C)OC)no1 ZINC000093693207 184707365 /nfs/dbraw/zinc/70/73/65/184707365.db2.gz KHEHIFGAYQUNNX-GHMZBOCLSA-N 1 0 255.362 2.488 10 0 CEAERO CC[NH2+]Cc1cccc(OC)c1OCC(C)(C)C(=O)OC ZINC000093714520 184708691 /nfs/dbraw/zinc/70/86/91/184708691.db2.gz NNYXHOSGDXARCR-UHFFFAOYSA-N 1 0 295.379 2.383 10 0 CEAERO Cc1cnn([C@@H]2CCC[C@@](CO)([NH2+]C(C)C)C2)c1 ZINC000093784193 184720870 /nfs/dbraw/zinc/72/08/70/184720870.db2.gz LTGMNRUMYPANPF-ZIAGYGMSSA-N 1 0 251.374 2.036 10 0 CEAERO CC(C)[NH2+][C@]1(CO)CCC[C@H](n2cc(Cl)cn2)C1 ZINC000093784209 184721498 /nfs/dbraw/zinc/72/14/98/184721498.db2.gz GQPHAYRAICSVTB-QWHCGFSZSA-N 1 0 271.792 2.381 10 0 CEAERO C[NH2+][C@@]1(CO)CCC[C@@H](Oc2ccc(F)cc2F)C1 ZINC000093785216 184721993 /nfs/dbraw/zinc/72/19/93/184721993.db2.gz CVRHPSHAVDEIOA-RISCZKNCSA-N 1 0 271.307 2.237 10 0 CEAERO CCC[NH2+][C@@H](CCc1ccccc1)[C@H]1CN(C)CCN1C ZINC000093896013 184740627 /nfs/dbraw/zinc/74/06/27/184740627.db2.gz ZTPLHLPTJYPRSO-ZWKOTPCHSA-N 1 0 289.467 2.233 10 0 CEAERO CC[NH2+][C@H](Cc1cc(F)ccc1F)[C@H]1CN(CC)CCO1 ZINC000093914892 184742022 /nfs/dbraw/zinc/74/20/22/184742022.db2.gz UCKZRVYXPAWZCY-HZPDHXFCSA-N 1 0 298.377 2.206 10 0 CEAERO C[NH2+][C@H](c1csc(C)c1)[C@@H]1CN(C(C)C)CCO1 ZINC000093926412 184744466 /nfs/dbraw/zinc/74/44/66/184744466.db2.gz NEAFZFSSPYSKPG-UONOGXRCSA-N 1 0 268.426 2.426 10 0 CEAERO C[NH+](C)C(C)(C)COc1ccc(N)c(OCC2CC2)n1 ZINC000093955004 184745745 /nfs/dbraw/zinc/74/57/45/184745745.db2.gz HZEBLLYQHHVKCN-UHFFFAOYSA-N 1 0 279.384 2.172 10 0 CEAERO CC(C)(C)c1ccc([C@H]([NH3+])CSC[C@H](O)CO)cc1 ZINC000093962198 184746355 /nfs/dbraw/zinc/74/63/55/184746355.db2.gz DBHIUGDLPIQRIX-ZIAGYGMSSA-N 1 0 283.437 2.070 10 0 CEAERO Cc1ccccc1N(CCC[NH3+])C(=O)[C@H]1CCO[C@@H]1C ZINC000094173441 184759068 /nfs/dbraw/zinc/75/90/68/184759068.db2.gz KXRXZYQXOKLNSW-KGLIPLIRSA-N 1 0 276.380 2.102 10 0 CEAERO CCCn1c(C[C@@H]([NH3+])[C@H]2CCCO2)nc2ccccc21 ZINC000094171538 184759123 /nfs/dbraw/zinc/75/91/23/184759123.db2.gz XMZFALIPVFEIRN-IUODEOHRSA-N 1 0 273.380 2.495 10 0 CEAERO CCC[NH2+][C@@H](COC)Cc1nc2ccccc2n1C ZINC000094170997 184759390 /nfs/dbraw/zinc/75/93/90/184759390.db2.gz ZVXUUKDRIJTJFW-GFCCVEGCSA-N 1 0 261.369 2.130 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@@H]1NC(=O)c1ccc(F)c(F)c1F ZINC000094185048 184760040 /nfs/dbraw/zinc/76/00/40/184760040.db2.gz MJYJSNXVVSJASI-MNOVXSKESA-N 1 0 286.297 2.494 10 0 CEAERO Cc1cc2nnc([C@@H](C)CCC[C@@H](C)[NH3+])n2c(C)n1 ZINC000094258824 184770640 /nfs/dbraw/zinc/77/06/40/184770640.db2.gz PXWCIHMLVMTCEE-VHSXEESVSA-N 1 0 261.373 2.362 10 0 CEAERO CC[NH2+][C@@H]1[C@@H](SCCS(C)(=O)=O)CCCC1(C)C ZINC000094282889 184774936 /nfs/dbraw/zinc/77/49/36/184774936.db2.gz TVZOGELSQQCLTJ-NWDGAFQWSA-N 1 0 293.498 2.321 10 0 CEAERO C[NH2+][C@H]1[C@@H](Sc2n[nH]c(=O)n2C2CC2)CCCC1(C)C ZINC000094283907 184775037 /nfs/dbraw/zinc/77/50/37/184775037.db2.gz OEFYJGGGWSJRTP-QWRGUYRKSA-N 1 0 296.440 2.165 10 0 CEAERO CC[NH2+][C@H]1[C@H](S(=O)(=O)C(C)C)CCCC1(C)C ZINC000094281832 184775211 /nfs/dbraw/zinc/77/52/11/184775211.db2.gz DLNMBFQJGRABIX-NEPJUHHUSA-N 1 0 261.431 2.366 10 0 CEAERO C[C@H](Cc1c(F)cccc1F)NC(=O)CC1([NH3+])CCC1 ZINC000094294281 184777412 /nfs/dbraw/zinc/77/74/12/184777412.db2.gz DEBXMALJSXPZCP-SNVBAGLBSA-N 1 0 282.334 2.284 10 0 CEAERO CCc1nc(CC)n([C@@H]2CCC(C)(C)[C@H]2[NH2+]C)n1 ZINC000094307499 184778270 /nfs/dbraw/zinc/77/82/70/184778270.db2.gz RTTNUYMPQZJUBJ-MFKMUULPSA-N 1 0 250.390 2.352 10 0 CEAERO C[NH2+][C@@H]1[C@@H](Sc2nccc(=O)[nH]2)CCC1(C)C ZINC000094312526 184778292 /nfs/dbraw/zinc/77/82/92/184778292.db2.gz KTGJTXJRXFUALD-WCBMZHEXSA-N 1 0 253.371 2.051 10 0 CEAERO CC1(C)CCC[C@@H]1NC(=O)c1ccc(CC[NH3+])cc1 ZINC000094327547 184781200 /nfs/dbraw/zinc/78/12/00/184781200.db2.gz WMEAMYPSPQGXJK-AWEZNQCLSA-N 1 0 260.381 2.496 10 0 CEAERO CCCNc1cccc(CN2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000094465248 184805138 /nfs/dbraw/zinc/80/51/38/184805138.db2.gz ZEZGJRJWFUETDS-OAHLLOKOSA-N 1 0 274.412 2.184 10 0 CEAERO Nc1ccc2nc(N3CC[C@H]([NH+]4CCCCC4)C3)oc2c1 ZINC000094354551 184787301 /nfs/dbraw/zinc/78/73/01/184787301.db2.gz HCDGEKWJFHSEDK-ZDUSSCGKSA-N 1 0 286.379 2.475 10 0 CEAERO C([NH2+][C@H]1CCOC2(CCSCC2)C1)[C@H]1CCOC1 ZINC000094368913 184790027 /nfs/dbraw/zinc/79/00/27/184790027.db2.gz XWZOPOCRHOEKRQ-OLZOCXBDSA-N 1 0 271.426 2.057 10 0 CEAERO c1cncc(CC[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000094368198 184790265 /nfs/dbraw/zinc/79/02/65/184790265.db2.gz SQYSZRREOQZFIB-HUUCEWRRSA-N 1 0 278.421 2.268 10 0 CEAERO C(O[C@H]1CCO[C@@]2(CCSC2)C1)C1CC[NH2+]CC1 ZINC000094380826 184791633 /nfs/dbraw/zinc/79/16/33/184791633.db2.gz RTVIVHZAFQIHNP-KBPBESRZSA-N 1 0 271.426 2.057 10 0 CEAERO [NH3+][C@@H](c1ccncc1)[C@@H]1CCOC2(CCOCC2)C1 ZINC000094397993 184793355 /nfs/dbraw/zinc/79/33/55/184793355.db2.gz NCADOPZSUKZZTL-KGLIPLIRSA-N 1 0 262.353 2.057 10 0 CEAERO CCC1([NH3+])CN([C@H]2CCOC3(CCCCC3)C2)C1 ZINC000094413479 184794343 /nfs/dbraw/zinc/79/43/43/184794343.db2.gz ZIBRMPIVGBYSBO-ZDUSSCGKSA-N 1 0 252.402 2.291 10 0 CEAERO CCCC1(O)C[NH+]([C@@H]2CCOC3(CCSCC3)C2)C1 ZINC000094411132 184794419 /nfs/dbraw/zinc/79/44/19/184794419.db2.gz MVVZAMXOYTYKIU-CYBMUJFWSA-N 1 0 285.453 2.278 10 0 CEAERO C[C@](O)(C[NH2+]C1CC1)[C@H]1CCOC2(CCCC2)C1 ZINC000094418893 184794829 /nfs/dbraw/zinc/79/48/29/184794829.db2.gz NVKVSWLLAUMZBV-JSGCOSHPSA-N 1 0 253.386 2.229 10 0 CEAERO CCC[NH2+]Cc1cn([C@@H]2CCOC3(CCCC3)C2)nn1 ZINC000094419068 184795031 /nfs/dbraw/zinc/79/50/31/184795031.db2.gz GBWSGDQACCFDIB-CQSZACIVSA-N 1 0 278.400 2.442 10 0 CEAERO CCC[NH2+]Cc1cn([C@@H]2CCO[C@@]3(CCOC3)C2)nc1C ZINC000094414644 184795054 /nfs/dbraw/zinc/79/50/54/184795054.db2.gz HFXPUFVRFIVGFE-CVEARBPZSA-N 1 0 293.411 2.202 10 0 CEAERO [NH3+][C@@H]1C=C([C@H]2CCOC3(CCOCC3)C2)CCC1 ZINC000094416654 184795285 /nfs/dbraw/zinc/79/52/85/184795285.db2.gz NIFKIWCLAXETHG-KBPBESRZSA-N 1 0 251.370 2.400 10 0 CEAERO CC1(C)C[C@H]([NH2+]C[C@H]2CCC[C@@H]2CO)C(C)(C)O1 ZINC000094424638 184795493 /nfs/dbraw/zinc/79/54/93/184795493.db2.gz DMXWBAFEONLKHK-UPJWGTAASA-N 1 0 255.402 2.331 10 0 CEAERO C[NH2+][C@@H]1[C@@H](CN(C)Cc2cscn2)C(C)(C)OC1(C)C ZINC000094428258 184796875 /nfs/dbraw/zinc/79/68/75/184796875.db2.gz RGLUEEWEKBNIDL-CHWSQXEVSA-N 1 0 297.468 2.367 10 0 CEAERO CC1(C)OC(C)(C)[C@H](C[N@@H+]2CCCSCC2)C1=O ZINC000094429217 184797801 /nfs/dbraw/zinc/79/78/01/184797801.db2.gz KIHJDTWEBKYSOR-LLVKDONJSA-N 1 0 271.426 2.198 10 0 CEAERO Cn1nc(C[C@H]([NH3+])[C@]2(C)CCCO2)c2ccccc21 ZINC000094782756 184862705 /nfs/dbraw/zinc/86/27/05/184862705.db2.gz ZXLDLHJFOOXMKD-GJZGRUSLSA-N 1 0 259.353 2.012 10 0 CEAERO CC1(C)CCSC[C@H]1[NH2+]CCc1nnc2ccccn21 ZINC000094481781 184808696 /nfs/dbraw/zinc/80/86/96/184808696.db2.gz JJZFOIZKFUQKTD-GFCCVEGCSA-N 1 0 290.436 2.393 10 0 CEAERO CC(C)[C@H]([NH3+])Cc1nc(CCC(F)(F)F)no1 ZINC000094494223 184810148 /nfs/dbraw/zinc/81/01/48/184810148.db2.gz QSSCMDLMHCGQPL-SSDOTTSWSA-N 1 0 251.252 2.090 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1c1nc([C@@H]2CSCCO2)no1 ZINC000094502208 184811108 /nfs/dbraw/zinc/81/11/08/184811108.db2.gz GAHJPORIASZZRS-DCAQKATOSA-N 1 0 283.397 2.107 10 0 CEAERO COC[C@@H](O)C[NH2+]C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000094544613 184815867 /nfs/dbraw/zinc/81/58/67/184815867.db2.gz KUECRNXUGOSWQE-KEPFICHZSA-N 1 0 267.413 2.332 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1cc2ccccc2o1 ZINC000094566672 184819084 /nfs/dbraw/zinc/81/90/84/184819084.db2.gz MQUAMCCAPJDBDD-QKCSRTOESA-N 1 0 288.347 2.116 10 0 CEAERO CC[NH+](CC)C[C@@H](C)Nc1nc2cc(C)ccn2n1 ZINC000094605103 184825091 /nfs/dbraw/zinc/82/50/91/184825091.db2.gz FSZCTYORRQLKOU-GFCCVEGCSA-N 1 0 261.373 2.180 10 0 CEAERO COC(=O)[C@](C)([NH3+])CCSc1cccc(F)c1 ZINC000094624241 184828399 /nfs/dbraw/zinc/82/83/99/184828399.db2.gz PDFUDSICRUDOPG-GFCCVEGCSA-N 1 0 257.330 2.198 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccc(OC)nc1)c1cnccn1 ZINC000094633247 184830606 /nfs/dbraw/zinc/83/06/06/184830606.db2.gz GONKDFVBWRZBTQ-ZDUSSCGKSA-N 1 0 272.352 2.164 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(C)Cc1ccccc1F ZINC000094647429 184833066 /nfs/dbraw/zinc/83/30/66/184833066.db2.gz SGRJPXPMMHYCTE-AAEUAGOBSA-N 1 0 264.344 2.172 10 0 CEAERO COc1ccccc1N(C)C(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000094648017 184834005 /nfs/dbraw/zinc/83/40/05/184834005.db2.gz AUGPUIWUJLZDPI-NWDGAFQWSA-N 1 0 262.353 2.046 10 0 CEAERO COc1cc(C[NH2+]C(C)C)ccc1O[C@H](C)[C@@H](C)O ZINC000094652772 184834322 /nfs/dbraw/zinc/83/43/22/184834322.db2.gz IMMZPVVGLBIEJB-VXGBXAGGSA-N 1 0 267.369 2.341 10 0 CEAERO CC[C@](C)([C@H](O)c1cc(OC)cc(OC)c1)[NH+](C)C ZINC000094650765 184835029 /nfs/dbraw/zinc/83/50/29/184835029.db2.gz BRAMBYOTICPVFP-HUUCEWRRSA-N 1 0 267.369 2.468 10 0 CEAERO C[C@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1cccc(O)c1 ZINC000094690267 184839591 /nfs/dbraw/zinc/83/95/91/184839591.db2.gz RQNUWKSKQRBUAB-LRDDRELGSA-N 1 0 260.381 2.355 10 0 CEAERO CC[NH2+][C@H](CC(N)=O)c1ccc(OC)c2ccccc21 ZINC000094693582 184840528 /nfs/dbraw/zinc/84/05/28/184840528.db2.gz UNFADOPVGGZMFF-CQSZACIVSA-N 1 0 272.348 2.374 10 0 CEAERO CC(C)C[C@@H](C[NH3+])C(=O)Nc1ccc(N(C)C)cc1 ZINC000094697297 184841499 /nfs/dbraw/zinc/84/14/99/184841499.db2.gz AKKVUDYXMSXXGS-LBPRGKRZSA-N 1 0 263.385 2.312 10 0 CEAERO Cc1nc(NC(=O)[C@H](C[NH3+])CC(C)C)sc1C ZINC000094699712 184842487 /nfs/dbraw/zinc/84/24/87/184842487.db2.gz OIOJJBXVUSHCSW-JTQLQIEISA-N 1 0 255.387 2.319 10 0 CEAERO O[C@H](c1c[nH]nc1-c1ccc(F)cc1)[C@H]1CCCC[NH2+]1 ZINC000094722900 184846632 /nfs/dbraw/zinc/84/66/32/184846632.db2.gz VJXGDECBJSNJGX-UKRRQHHQSA-N 1 0 275.327 2.391 10 0 CEAERO CC[NH2+]CCCS(=O)(=O)Cc1cc(C)cc(C)c1 ZINC000094719727 184846646 /nfs/dbraw/zinc/84/66/46/184846646.db2.gz PIGOLRZODYSPFQ-UHFFFAOYSA-N 1 0 269.410 2.218 10 0 CEAERO CC[C@H]1CN(Cc2nc(C)cs2)[C@H](C2CC2)C[NH2+]1 ZINC000094979735 184909984 /nfs/dbraw/zinc/90/99/84/184909984.db2.gz DENXDPVURDZNIU-STQMWFEESA-N 1 0 265.426 2.414 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cccnc1)N(C)CCOCC1CC1 ZINC000094983823 184909986 /nfs/dbraw/zinc/90/99/86/184909986.db2.gz PAYSSDLBQPPUTD-CVEARBPZSA-N 1 0 277.412 2.218 10 0 CEAERO CCCCCC(C)(C)CNC(=O)[C@H]1COC[C@@H]1[NH2+]CC ZINC000094988602 184910912 /nfs/dbraw/zinc/91/09/12/184910912.db2.gz NJVWKGZPPVHHGW-KBPBESRZSA-N 1 0 284.444 2.334 10 0 CEAERO C[NH2+][C@H](C)c1ccnc(N(CCO)C2CCCCC2)c1 ZINC000094999044 184912751 /nfs/dbraw/zinc/91/27/51/184912751.db2.gz QROAZZAQPZILPE-CYBMUJFWSA-N 1 0 277.412 2.493 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1CNC(=O)Cc1c(F)cccc1F ZINC000095061964 184927078 /nfs/dbraw/zinc/92/70/78/184927078.db2.gz FDRHPTRHBGDSRR-QMTHXVAHSA-N 1 0 282.334 2.141 10 0 CEAERO Clc1ncc(COCC2CC[NH2+]CC2)c(Cl)n1 ZINC000095070132 184931736 /nfs/dbraw/zinc/93/17/36/184931736.db2.gz QCBJVKVKXLVSJT-UHFFFAOYSA-N 1 0 276.167 2.300 10 0 CEAERO Clc1ccc(COCCC[C@@H]2CCC[NH2+]C2)nn1 ZINC000095070507 184932162 /nfs/dbraw/zinc/93/21/62/184932162.db2.gz RGQLZCZXQFXRSE-NSHDSACASA-N 1 0 269.776 2.426 10 0 CEAERO O[C@H]1C[NH2+]CCc2cc(OCc3ccccc3)ccc21 ZINC000095092880 184942034 /nfs/dbraw/zinc/94/20/34/184942034.db2.gz UUVXBJCXHHUPMC-KRWDZBQOSA-N 1 0 269.344 2.445 10 0 CEAERO CN(CC[C@H]1CCCC[NH2+]1)C(=O)NC1CCCC1 ZINC000094890489 184888662 /nfs/dbraw/zinc/88/86/62/184888662.db2.gz OVXWFEFGWSQNMG-GFCCVEGCSA-N 1 0 253.390 2.103 10 0 CEAERO CC[C@H]([NH3+])[C@@H](N(C)Cc1cccc(C)n1)C(F)(F)F ZINC000094911252 184891020 /nfs/dbraw/zinc/89/10/20/184891020.db2.gz XQBYPCHWWJGESU-NWDGAFQWSA-N 1 0 275.318 2.490 10 0 CEAERO Cc1cccc(CN(C)[C@@H]([C@@H](C)[NH3+])C(F)(F)F)n1 ZINC000094911283 184891428 /nfs/dbraw/zinc/89/14/28/184891428.db2.gz NQLYQPNDXSCFDS-KOLCDFICSA-N 1 0 261.291 2.100 10 0 CEAERO CCN(Cc1ccccn1)C(=O)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000094914763 184891715 /nfs/dbraw/zinc/89/17/15/184891715.db2.gz OTJBHBMENAQKSQ-GJZGRUSLSA-N 1 0 275.396 2.338 10 0 CEAERO CC[N@H+](Cc1ccnc(N)c1)Cc1cccc(C)n1 ZINC000094925894 184895028 /nfs/dbraw/zinc/89/50/28/184895028.db2.gz KANQLAAXYHAQGA-UHFFFAOYSA-N 1 0 256.353 2.389 10 0 CEAERO C[C@@H](CCCO)[NH2+]C[C@@H](O)c1ccccc1Cl ZINC000094943883 184899400 /nfs/dbraw/zinc/89/94/00/184899400.db2.gz YIUYKCBDNBEEEX-GXFFZTMASA-N 1 0 257.761 2.124 10 0 CEAERO Cc1ccc([C@@H](C)N2C[C@@H](C[NH3+])CC2=O)cc1F ZINC000094963211 184905918 /nfs/dbraw/zinc/90/59/18/184905918.db2.gz VSHTWDWCLJHEFE-GHMZBOCLSA-N 1 0 250.317 2.002 10 0 CEAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccccc1Br ZINC000282520945 195634128 /nfs/dbraw/zinc/63/41/28/195634128.db2.gz YEKUXOYRXQRKTA-BXKDBHETSA-N 1 0 297.196 2.206 10 0 CEAERO CN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)C(C1CC1)C1CC1 ZINC000154077947 288888007 /nfs/dbraw/zinc/88/80/07/288888007.db2.gz YOOYJUCMCVUQGS-OLZOCXBDSA-N 1 0 250.386 2.151 10 0 CEAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1ccc2c(c1)OCCO2 ZINC000251438015 131128991 /nfs/dbraw/zinc/12/89/91/131128991.db2.gz AAZPAIIZZXKIID-FPMFFAJLSA-N 1 0 277.364 2.412 10 0 CEAERO CCC[C@](C)([NH3+])C(=O)N[C@@H](CCOC)c1ccc(C)o1 ZINC000262167526 131196770 /nfs/dbraw/zinc/19/67/70/131196770.db2.gz WLDXLQUGJQPUMP-WFASDCNBSA-N 1 0 282.384 2.299 10 0 CEAERO CCC[NH2+]Cc1ccccc1N1CCC[C@@H](CO)C1 ZINC000036227818 134812758 /nfs/dbraw/zinc/81/27/58/134812758.db2.gz RDZCKKOAMIVEID-CQSZACIVSA-N 1 0 262.397 2.395 10 0 CEAERO CC[NH2+][C@H]1CCN([C@@H]2CCC[C@@H]2O)c2ccccc21 ZINC000071377859 134965232 /nfs/dbraw/zinc/96/52/32/134965232.db2.gz SDAAYJZPUUIXES-IMJJTQAJSA-N 1 0 260.381 2.461 10 0 CEAERO C[C@H]1C[NH2+]CCN1c1cc(Br)ccc1F ZINC000083086612 135014132 /nfs/dbraw/zinc/01/41/32/135014132.db2.gz NBYBMFMPUHYMLB-QMMMGPOBSA-N 1 0 273.149 2.386 10 0 CEAERO CCC[NH2+]Cc1c(Cl)cccc1N1CCN(C)C(=O)C1 ZINC000084205945 135032513 /nfs/dbraw/zinc/03/25/13/135032513.db2.gz LAGHNOISVGFDAQ-UHFFFAOYSA-N 1 0 295.814 2.118 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)N1CCSc2ccccc21 ZINC000085371871 135036595 /nfs/dbraw/zinc/03/65/95/135036595.db2.gz QHPIGMUHAXHXAW-GHMZBOCLSA-N 1 0 262.378 2.253 10 0 CEAERO Nc1cccc(N2CC[NH+](CCC[C@@H]3CCCO3)CC2)c1 ZINC000087263301 135049583 /nfs/dbraw/zinc/04/95/83/135049583.db2.gz BYTOIKRYFOTRLC-QGZVFWFLSA-N 1 0 289.423 2.350 10 0 CEAERO Cc1nnc(N2CCC(C(F)(F)F)CC2)c(C[NH3+])c1C ZINC000088416219 135054338 /nfs/dbraw/zinc/05/43/38/135054338.db2.gz PCKHDHHRZLPPEN-UHFFFAOYSA-N 1 0 288.317 2.331 10 0 CEAERO CC[NH2+]CCCS(=O)(=O)N1C[C@H](C)Cc2ccccc21 ZINC000089036073 135057655 /nfs/dbraw/zinc/05/76/55/135057655.db2.gz IRSPBUHXUQWOOS-CYBMUJFWSA-N 1 0 296.436 2.015 10 0 CEAERO O=C(C[C@@H]1CC[NH2+]C1)N1CCSc2ccccc21 ZINC000089747005 135060459 /nfs/dbraw/zinc/06/04/59/135060459.db2.gz GGBKSEBOFWWGQP-NSHDSACASA-N 1 0 262.378 2.125 10 0 CEAERO CC(C)C[NH2+]Cc1ccc(N2C[C@H]3CC[C@@H](C2)O3)nc1 ZINC000090907751 135066745 /nfs/dbraw/zinc/06/67/45/135066745.db2.gz MIOULJWKOOZWEB-GASCZTMLSA-N 1 0 275.396 2.195 10 0 CEAERO C[C@H]1C[C@H]1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000093123580 135079974 /nfs/dbraw/zinc/07/99/74/135079974.db2.gz ZDGXNXICDKTPLY-SWLSCSKDSA-N 1 0 288.395 2.006 10 0 CEAERO NC(=[NH2+])[C@H]1CCCN(c2ncc(Cl)cc2F)C1 ZINC000094052034 135083113 /nfs/dbraw/zinc/08/31/13/135083113.db2.gz WEUYUYMLKLQDRV-ZETCQYMHSA-N 1 0 256.712 2.026 10 0 CEAERO C[C@@H](O)c1ccc(N2CC[N@@H+]3CCCC[C@@H]3C2)cc1O ZINC000094439828 135087750 /nfs/dbraw/zinc/08/77/50/135087750.db2.gz YUHGEIZGAMBQRC-TZMCWYRMSA-N 1 0 276.380 2.120 10 0 CEAERO Nc1ccc(N2CC[N@@H+]3CCCC[C@@H]3C2)c2cccnc12 ZINC000094439014 135087989 /nfs/dbraw/zinc/08/79/89/135087989.db2.gz UWPVDYNDFUKKLE-CYBMUJFWSA-N 1 0 282.391 2.492 10 0 CEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NS(=O)(=O)CCC(C)(C)C)C1 ZINC000246482853 394516914 /nfs/dbraw/zinc/51/69/14/394516914.db2.gz WYCVGIWVBJYVNX-QWHCGFSZSA-N 1 0 290.473 2.071 10 0 CEAERO CC(C)c1nccnc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000413059720 394477339 /nfs/dbraw/zinc/47/73/39/394477339.db2.gz GQQYBWLMJTWQKD-OLZOCXBDSA-N 1 0 260.385 2.061 10 0 CEAERO Cc1nc(N2CC[C@@](C)(C[NH3+])C2)ccc1Br ZINC000235934420 394485287 /nfs/dbraw/zinc/48/52/87/394485287.db2.gz LIHGGRDAMZRDOY-LBPRGKRZSA-N 1 0 284.201 2.328 10 0 CEAERO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000032629474 394489821 /nfs/dbraw/zinc/48/98/21/394489821.db2.gz GYKPRYVYGWAFFY-OLZOCXBDSA-N 1 0 253.367 2.039 10 0 CEAERO Cc1ccccc1C[NH2+][C@@H](C)C(=O)N1CCCCC1 ZINC000037853389 394497795 /nfs/dbraw/zinc/49/77/95/394497795.db2.gz ZQRAMSBZQRJUTM-AWEZNQCLSA-N 1 0 260.381 2.486 10 0 CEAERO [NH3+]Cc1cc(Br)cn(Cc2ccccc2)c1=O ZINC000306474338 394516009 /nfs/dbraw/zinc/51/60/09/394516009.db2.gz WCESUWDVUNSYIT-UHFFFAOYSA-N 1 0 293.164 2.118 10 0 CEAERO Cc1cnc(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)s1 ZINC000246151619 394510117 /nfs/dbraw/zinc/51/01/17/394510117.db2.gz CDTGVDCZMCBCNL-MWLCHTKSSA-N 1 0 282.413 2.302 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)Cc2scnc2C)C1 ZINC000066701056 394578129 /nfs/dbraw/zinc/57/81/29/394578129.db2.gz KKJOFTACXCMTRN-GFCCVEGCSA-N 1 0 296.440 2.077 10 0 CEAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000308477659 394528206 /nfs/dbraw/zinc/52/82/06/394528206.db2.gz KCWHHRYNQZCGAR-ZWNOBZJWSA-N 1 0 266.772 2.139 10 0 CEAERO C[C@H]1CC(CC[N@@H+]2CCN3C(=O)NC[C@H]3C2)C[C@H](C)C1 ZINC000247269652 394528245 /nfs/dbraw/zinc/52/82/45/394528245.db2.gz JVYUKUAZSOHGQR-NFAWXSAZSA-N 1 0 279.428 2.158 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000048768878 394528627 /nfs/dbraw/zinc/52/86/27/394528627.db2.gz IOMXGJOYBQNXBW-CYBMUJFWSA-N 1 0 265.332 2.432 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CCCCC1 ZINC000247543313 394532390 /nfs/dbraw/zinc/53/23/90/394532390.db2.gz YPVZBEYWBAABJL-OCCSQVGLSA-N 1 0 265.401 2.197 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1Cc2ccccc2C1 ZINC000248404128 394539712 /nfs/dbraw/zinc/53/97/12/394539712.db2.gz ZWGSVTOQDRPUNX-DYVFJYSZSA-N 1 0 299.418 2.032 10 0 CEAERO CCN1CCC[C@@H]([NH2+]Cc2cc(F)cc(OC)c2)C1 ZINC000312287518 394541700 /nfs/dbraw/zinc/54/17/00/394541700.db2.gz SHQSXIJHMNXQIU-CQSZACIVSA-N 1 0 266.360 2.408 10 0 CEAERO CC(=O)CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000248613101 394544493 /nfs/dbraw/zinc/54/44/93/394544493.db2.gz QWTTZZYHKAROIC-MELADBBJSA-N 1 0 296.411 2.201 10 0 CEAERO CC[C@](C)(O)C[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000249418928 394555032 /nfs/dbraw/zinc/55/50/32/394555032.db2.gz WSAIQUXCSSPVDV-CABCVRRESA-N 1 0 267.344 2.440 10 0 CEAERO Cc1cc(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ncc1Br ZINC000261558437 394601756 /nfs/dbraw/zinc/60/17/56/394601756.db2.gz SJSADYZBQKUWKC-NHCYSSNCSA-N 1 0 296.212 2.326 10 0 CEAERO CCCC[C@@H](CC)[NH2+]C1CC([N@H+](CC)CC(=O)[O-])C1 ZINC000263530117 394628998 /nfs/dbraw/zinc/62/89/98/394628998.db2.gz WBKACBGUKJVONL-IYXRBSQSSA-N 1 0 270.417 2.482 10 0 CEAERO CC(C)C[C@@H](C)C[NH+]1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000263570919 394629638 /nfs/dbraw/zinc/62/96/38/394629638.db2.gz ITTAKEQEZINWDX-CYBMUJFWSA-N 1 0 270.417 2.149 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)o1 ZINC000079267365 394631142 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UZUGODISVZFROV-UHFFFAOYSA-N 1 0 266.344 2.149 10 0 CEAERO C[C@H](NC(=O)NCC1CC[NH+](C)CC1)c1cccs1 ZINC000171587271 165048097 /nfs/dbraw/zinc/04/80/97/165048097.db2.gz PLQAPQXADVHPCZ-NSHDSACASA-N 1 0 281.425 2.450 10 0 CEAERO CN(C)c1ccccc1C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000173653680 165077247 /nfs/dbraw/zinc/07/72/47/165077247.db2.gz UIUDGDCXYAEFSL-CQSZACIVSA-N 1 0 284.407 2.476 10 0 CEAERO Cc1ccc([C@@H](O)C[N@H+]2CC[C@H](c3cnn(C)c3)C2)cc1 ZINC000173761064 165081785 /nfs/dbraw/zinc/08/17/85/165081785.db2.gz SARQHPHXFTTYEK-RDJZCZTQSA-N 1 0 285.391 2.251 10 0 CEAERO C(=C/c1ccccc1)\C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173951266 165090646 /nfs/dbraw/zinc/09/06/46/165090646.db2.gz GQFVCXSLEKMQFF-PFWMLDTASA-N 1 0 272.392 2.106 10 0 CEAERO C[C@@H](O)CN1CC[N@H+](CC2CCCCCC2)C[C@H]1C ZINC000120575181 287094743 /nfs/dbraw/zinc/09/47/43/287094743.db2.gz AOECHMRYZYFBMM-HUUCEWRRSA-N 1 0 268.445 2.344 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(C)o1 ZINC000176995496 165181859 /nfs/dbraw/zinc/18/18/59/165181859.db2.gz UZLYRMJKIVDIDI-GFCCVEGCSA-N 1 0 250.342 2.144 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC(C1CC1)C1CC1 ZINC000177342116 165195947 /nfs/dbraw/zinc/19/59/47/165195947.db2.gz VKYSIAINJQWSQM-CQSZACIVSA-N 1 0 279.428 2.301 10 0 CEAERO CC(C)COC1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000178443307 165241476 /nfs/dbraw/zinc/24/14/76/165241476.db2.gz ODJCIWADWSHFDN-KGLIPLIRSA-N 1 0 282.428 2.168 10 0 CEAERO C[C@H](C(=O)N1CC[C@@H](C[NH3+])C1)c1cc2ccccc2o1 ZINC000178554201 165248331 /nfs/dbraw/zinc/24/83/31/165248331.db2.gz KGEKJWBPZUZFIL-RYUDHWBXSA-N 1 0 272.348 2.344 10 0 CEAERO C[C@@H](NC(=O)C[NH2+]CC1CC1)c1cccc(-n2ccnc2)c1 ZINC000178862684 165264825 /nfs/dbraw/zinc/26/48/25/165264825.db2.gz DLBGOURUFJKHSP-CYBMUJFWSA-N 1 0 298.390 2.049 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cnn(C(C)C)c1 ZINC000179559016 165284063 /nfs/dbraw/zinc/28/40/63/165284063.db2.gz UCDIMFUILARKRJ-OAHLLOKOSA-N 1 0 264.417 2.380 10 0 CEAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](CC)C(C)C)CC2 ZINC000180628282 165318187 /nfs/dbraw/zinc/31/81/87/165318187.db2.gz QOIBEIVXBSJADV-NWDGAFQWSA-N 1 0 250.390 2.180 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCC[C@@H]1CCCCO1 ZINC000181423120 165341681 /nfs/dbraw/zinc/34/16/81/165341681.db2.gz ZAIQLYYFSRMABH-CABCVRRESA-N 1 0 299.459 2.221 10 0 CEAERO CC(C)(C)OC(=O)CCC[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000181853203 165356330 /nfs/dbraw/zinc/35/63/30/165356330.db2.gz FAWXGMXKYGRWMD-ZDUSSCGKSA-N 1 0 294.399 2.037 10 0 CEAERO C[C@H]1C[N@H+](C[C@H]2CCCC[C@H]2C)C[C@H]1N1CCOCC1 ZINC000183118328 165384535 /nfs/dbraw/zinc/38/45/35/165384535.db2.gz MQRZKFPDQBMNOJ-YYIAUSFCSA-N 1 0 280.456 2.465 10 0 CEAERO CCC[C@@H]1C[C@@H](C(=O)N[C@@H]2CCC[N@H+](CC)C2)CCO1 ZINC000183357998 165394603 /nfs/dbraw/zinc/39/46/03/165394603.db2.gz CIQNQRDAODQZDP-RRFJBIMHSA-N 1 0 282.428 2.182 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N(CC)C(C)C ZINC000245901510 287226402 /nfs/dbraw/zinc/22/64/02/287226402.db2.gz SGJYEJVFYSVLSD-KGLIPLIRSA-N 1 0 267.417 2.395 10 0 CEAERO CC[NH+](CC)CCN1C(=O)CC(CC)(CC)CC1=O ZINC000005819461 170143264 /nfs/dbraw/zinc/14/32/64/170143264.db2.gz QUDFRXVDAFBCNE-UHFFFAOYSA-N 1 0 268.401 2.284 10 0 CEAERO COc1cc(OC)c(C[C@@H](C)[NH3+])cc1Br ZINC000006036791 170170185 /nfs/dbraw/zinc/17/01/85/170170185.db2.gz YFSLPSITQIUFQK-SSDOTTSWSA-N 1 0 274.158 2.356 10 0 CEAERO O=C(Nc1cc(O)c2ccccc2c1)[C@H]1CCC[NH2+]1 ZINC000006118038 170177147 /nfs/dbraw/zinc/17/71/47/170177147.db2.gz KMQNGXDZQAILQD-CYBMUJFWSA-N 1 0 256.305 2.236 10 0 CEAERO CC[C@@H]([NH3+])CS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000011896835 170456882 /nfs/dbraw/zinc/45/68/82/170456882.db2.gz HUKCNSYXLSJLCK-GFCCVEGCSA-N 1 0 269.410 2.495 10 0 CEAERO COc1cc(NC(=O)[C@@H]2CCC[C@@H](C)[NH2+]2)cc(OC)c1 ZINC000019426813 170795569 /nfs/dbraw/zinc/79/55/69/170795569.db2.gz ZFMWINLKCLREAA-YGRLFVJLSA-N 1 0 278.352 2.173 10 0 CEAERO [NH3+]CCSCC(=O)Nc1ccc(Br)cc1 ZINC000019442132 170803023 /nfs/dbraw/zinc/80/30/23/170803023.db2.gz HKGGZZWZSBPLGJ-UHFFFAOYSA-N 1 0 289.198 2.080 10 0 CEAERO NC(=[NH2+])c1ccnc(Oc2ccc3c(c2)CCC(=O)N3)c1 ZINC000019519201 170825087 /nfs/dbraw/zinc/82/50/87/170825087.db2.gz RTTMWABRMKESLE-UHFFFAOYSA-N 1 0 282.303 2.043 10 0 CEAERO Cc1cccc(S(=O)(=O)CC[C@H]2CCCC[NH2+]2)c1 ZINC000020183757 171046626 /nfs/dbraw/zinc/04/66/26/171046626.db2.gz AHABVEODHMZKHN-CYBMUJFWSA-N 1 0 267.394 2.301 10 0 CEAERO [NH3+]Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1F ZINC000020189209 171054080 /nfs/dbraw/zinc/05/40/80/171054080.db2.gz QFBPDKCKUVWSHW-UHFFFAOYSA-N 1 0 280.324 2.085 10 0 CEAERO CCNC(=O)[C@@H](C)[NH2+]C[C@@H](c1ccccc1)N(CC)CC ZINC000020310118 171144068 /nfs/dbraw/zinc/14/40/68/171144068.db2.gz NJHNQXTWYIWHMO-ZBFHGGJFSA-N 1 0 291.439 2.184 10 0 CEAERO C[C@@H](C[NH3+])Cn1cc(Br)c(C(F)(F)F)n1 ZINC000020313591 171145006 /nfs/dbraw/zinc/14/50/06/171145006.db2.gz YHABIPFVLFCSFN-YFKPBYRVSA-N 1 0 286.095 2.259 10 0 CEAERO CCc1ccccc1OC[C@H](C[NH3+])N1CCCCC1 ZINC000020400805 171181773 /nfs/dbraw/zinc/18/17/73/171181773.db2.gz KFCHZYAEJNPTDN-HNNXBMFYSA-N 1 0 262.397 2.441 10 0 CEAERO CCCCNC(=O)[C@H](C)Oc1ccc([C@@H](C)[NH3+])cc1 ZINC000020419274 171183618 /nfs/dbraw/zinc/18/36/18/171183618.db2.gz XDXQOWBQUAUZPO-NEPJUHHUSA-N 1 0 264.369 2.390 10 0 CEAERO CC[C@H](C)NC(=O)[C@H](C)Oc1ccc([C@@H](C)[NH3+])cc1OC ZINC000020419853 171185374 /nfs/dbraw/zinc/18/53/74/171185374.db2.gz DFXWFWMBAZEDGS-TUAOUCFPSA-N 1 0 294.395 2.397 10 0 CEAERO CCOC(=O)Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000020432870 171197364 /nfs/dbraw/zinc/19/73/64/171197364.db2.gz RGHAISQPJOEWCS-UHFFFAOYSA-N 1 0 268.382 2.015 10 0 CEAERO C[C@H]([NH3+])c1ccc(Sc2nccc(=O)[nH]2)c(F)c1 ZINC000020484009 171223593 /nfs/dbraw/zinc/22/35/93/171223593.db2.gz WJQZYDNJOZPMHK-ZETCQYMHSA-N 1 0 265.313 2.492 10 0 CEAERO CC(C)(C)OCCC(=O)Nc1ccc(C[NH3+])cc1 ZINC000020508649 171229470 /nfs/dbraw/zinc/22/94/70/171229470.db2.gz KQHACHISPROSNN-UHFFFAOYSA-N 1 0 250.342 2.289 10 0 CEAERO CCCCCCO[C@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000020512617 171230949 /nfs/dbraw/zinc/23/09/49/171230949.db2.gz SQQZYKGKMVAMFC-OLZOCXBDSA-N 1 0 257.374 2.206 10 0 CEAERO CCCCCCO[C@@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000020512613 171231153 /nfs/dbraw/zinc/23/11/53/171231153.db2.gz SQQZYKGKMVAMFC-CHWSQXEVSA-N 1 0 257.374 2.206 10 0 CEAERO CC(C)[C@H](C)NS(=O)(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000020523649 171236057 /nfs/dbraw/zinc/23/60/57/171236057.db2.gz UCQGWNPZTJBBQU-QWRGUYRKSA-N 1 0 270.398 2.029 10 0 CEAERO NC(=O)COc1ccc(Cl)cc1C[NH2+]C1CCCC1 ZINC000020873309 171277483 /nfs/dbraw/zinc/27/74/83/171277483.db2.gz HQSCHBWYALXVLH-UHFFFAOYSA-N 1 0 282.771 2.236 10 0 CEAERO [NH3+]Cc1cccc(NS(=O)(=O)Cc2ccccc2)c1 ZINC000021968046 171344084 /nfs/dbraw/zinc/34/40/84/171344084.db2.gz YUSUEGLVFCIWJP-UHFFFAOYSA-N 1 0 276.361 2.087 10 0 CEAERO CCCCCNS(=O)(=O)c1cccc([C@@H](C)[NH3+])c1 ZINC000022146911 171356803 /nfs/dbraw/zinc/35/68/03/171356803.db2.gz SXTFIKJYMLNVQH-LLVKDONJSA-N 1 0 270.398 2.175 10 0 CEAERO COc1cc(N)ccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000022151572 171358702 /nfs/dbraw/zinc/35/87/02/171358702.db2.gz JSCDMIDLRWEHKF-VXGBXAGGSA-N 1 0 291.395 2.336 10 0 CEAERO COc1ccc(NC(=O)CC[NH+]2CCC(C)CC2)c(N)c1 ZINC000022155056 171361948 /nfs/dbraw/zinc/36/19/48/171361948.db2.gz VQJACDFILOYUNM-UHFFFAOYSA-N 1 0 291.395 2.338 10 0 CEAERO COc1cc(N)ccc1NC(=O)[C@H](C)[NH+]1CCC(C)CC1 ZINC000022156091 171362588 /nfs/dbraw/zinc/36/25/88/171362588.db2.gz DTTAOWPWADSEGU-LBPRGKRZSA-N 1 0 291.395 2.336 10 0 CEAERO Cc1cc(C)n([C@@H](C)C(=O)Nc2ccccc2C[NH3+])n1 ZINC000022166559 171366152 /nfs/dbraw/zinc/36/61/52/171366152.db2.gz UIJHJMXYXBEALC-LBPRGKRZSA-N 1 0 272.352 2.158 10 0 CEAERO COc1ccc(NC(=O)C[NH+]2[C@H](C)CCC[C@H]2C)c(N)c1 ZINC000022171268 171368168 /nfs/dbraw/zinc/36/81/68/171368168.db2.gz SEILEWMRUXDACY-VXGBXAGGSA-N 1 0 291.395 2.479 10 0 CEAERO CC[NH+](CC)CCCNC(=O)c1cc(Cl)ccc1N ZINC000022174677 171369802 /nfs/dbraw/zinc/36/98/02/171369802.db2.gz FMMQFNRGCZUQLK-UHFFFAOYSA-N 1 0 283.803 2.384 10 0 CEAERO COc1ccc([C@H](C[NH3+])N(C)C(C)C)c(OC)c1OC ZINC000022214783 171375206 /nfs/dbraw/zinc/37/52/06/171375206.db2.gz CRDYTJOEWKBROA-LBPRGKRZSA-N 1 0 282.384 2.052 10 0 CEAERO c1ccc2c(c1)CCO[C@H]2C[NH2+]CCN1CCCCC1 ZINC000022594659 171393797 /nfs/dbraw/zinc/39/37/97/171393797.db2.gz YTLWRNOKIKJPIT-KRWDZBQOSA-N 1 0 274.408 2.376 10 0 CEAERO CC(C)C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1 ZINC000032110457 171702530 /nfs/dbraw/zinc/70/25/30/171702530.db2.gz NJSVNWCRAQLCFJ-GFCCVEGCSA-N 1 0 257.761 2.325 10 0 CEAERO Cc1ccc(S(=O)(=O)NC2(C[NH3+])CCC(C)CC2)cc1 ZINC000034955496 171901047 /nfs/dbraw/zinc/90/10/47/171901047.db2.gz QPPZUTSXHJTZGT-UHFFFAOYSA-N 1 0 296.436 2.181 10 0 CEAERO Cc1cc2ncnn2c(NCC(C)(C)C[NH+](C)C)c1 ZINC000035047949 171951487 /nfs/dbraw/zinc/95/14/87/171951487.db2.gz BCRPIJHMIVMSFD-UHFFFAOYSA-N 1 0 261.373 2.037 10 0 CEAERO C[C@H]([NH2+]CC(=O)Nc1c(F)cccc1F)C1CC1 ZINC000035174494 172027795 /nfs/dbraw/zinc/02/77/95/172027795.db2.gz LWDMMYJXKVHMBJ-QMMMGPOBSA-N 1 0 254.280 2.291 10 0 CEAERO COC(=O)CCC[N@H+](Cc1ccccc1N)C(C)C ZINC000035365817 172156486 /nfs/dbraw/zinc/15/64/86/172156486.db2.gz TVFHQYCNNXLMQG-UHFFFAOYSA-N 1 0 264.369 2.432 10 0 CEAERO CC[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1F ZINC000035555891 172261781 /nfs/dbraw/zinc/26/17/81/172261781.db2.gz ZLNUFFLDDFEOAH-ZDUSSCGKSA-N 1 0 251.280 2.397 10 0 CEAERO Cc1ccc(OCC(=O)N(C)C(C)C)c([C@H](C)[NH3+])c1 ZINC000035629391 172310063 /nfs/dbraw/zinc/31/00/63/172310063.db2.gz UXCBTNKBPIMFOD-LBPRGKRZSA-N 1 0 264.369 2.260 10 0 CEAERO CCCCN(C)S(=O)(=O)c1ccc([C@H](C)[NH2+]C)cc1 ZINC000035633289 172316622 /nfs/dbraw/zinc/31/66/22/172316622.db2.gz XIZXGEUWFQIZHL-LBPRGKRZSA-N 1 0 284.425 2.388 10 0 CEAERO CCN(C(C)C)S(=O)(=O)c1cccc([C@@H](C)[NH2+]C)c1 ZINC000035633746 172316852 /nfs/dbraw/zinc/31/68/52/172316852.db2.gz FYOWXEGKFRSCEK-GFCCVEGCSA-N 1 0 284.425 2.386 10 0 CEAERO CCN(C(C)C)S(=O)(=O)c1ccc([C@H](C)[NH2+]C)cc1 ZINC000035633753 172317150 /nfs/dbraw/zinc/31/71/50/172317150.db2.gz LEFKLFFXSAGKMV-LBPRGKRZSA-N 1 0 284.425 2.386 10 0 CEAERO C[NH2+]Cc1cc(Cl)cc(Cl)c1OC[C@H](C)C(N)=O ZINC000035661980 172340026 /nfs/dbraw/zinc/34/00/26/172340026.db2.gz JOYVRHZJCFZLGM-ZETCQYMHSA-N 1 0 291.178 2.213 10 0 CEAERO C[C@@H](NC(=O)NC1CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000035691204 172359556 /nfs/dbraw/zinc/35/95/56/172359556.db2.gz VLNAJYUMMMCZJS-DGCLKSJQSA-N 1 0 253.390 2.149 10 0 CEAERO C[C@@H](NC(=O)c1ccc(C[NH3+])cc1)c1cccnc1 ZINC000035691890 172360969 /nfs/dbraw/zinc/36/09/69/172360969.db2.gz UXISCRSWKLMVMP-LLVKDONJSA-N 1 0 255.321 2.031 10 0 CEAERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000035708353 172370511 /nfs/dbraw/zinc/37/05/11/172370511.db2.gz LOCFYIBOCMRLFR-AAVRWANBSA-N 1 0 273.442 2.224 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1Sc1nnnn1C1CCCC1 ZINC000035724029 172379311 /nfs/dbraw/zinc/37/93/11/172379311.db2.gz PJPRFOPPQMUXOL-MWLCHTKSSA-N 1 0 267.402 2.008 10 0 CEAERO C[C@@H]([NH2+]CC(=O)Nc1ccccc1Cl)[C@H]1CCCO1 ZINC000035735814 172388360 /nfs/dbraw/zinc/38/83/60/172388360.db2.gz XRDGCHJRQDICNX-ZWNOBZJWSA-N 1 0 282.771 2.436 10 0 CEAERO CCC[NH2+][C@@H]1C[C@@H](C)S(=O)(=O)c2ccccc21 ZINC000035760604 172398583 /nfs/dbraw/zinc/39/85/83/172398583.db2.gz AWKIWZPLHYTMNA-ZYHUDNBSSA-N 1 0 253.367 2.293 10 0 CEAERO [NH3+][C@H]1C[C@H]1Nc1ncc(C(F)(F)F)cc1Cl ZINC000036267748 172562496 /nfs/dbraw/zinc/56/24/96/172562496.db2.gz ZNTCVDPWOBOLMN-NKWVEPMBSA-N 1 0 251.639 2.265 10 0 CEAERO CC[NH2+]Cc1ccccc1NC(=O)c1cccnc1 ZINC000036281603 172572678 /nfs/dbraw/zinc/57/26/78/172572678.db2.gz WBDFTHPLFIDAMV-UHFFFAOYSA-N 1 0 255.321 2.443 10 0 CEAERO CC(C)[C@H](NC(=O)CSCC[NH3+])c1cccs1 ZINC000037035511 172903512 /nfs/dbraw/zinc/90/35/12/172903512.db2.gz UQEJGEMPBZOHAO-LBPRGKRZSA-N 1 0 272.439 2.253 10 0 CEAERO CCCN(C(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)C1CC1 ZINC000037097395 172952331 /nfs/dbraw/zinc/95/23/31/172952331.db2.gz CDZZQKOJZAHAKO-FPMFFAJLSA-N 1 0 250.386 2.308 10 0 CEAERO CN([C@@H](C[NH3+])c1ccc(F)c(F)c1)[C@H]1CCSC1 ZINC000037174469 173008982 /nfs/dbraw/zinc/00/89/82/173008982.db2.gz VAZFEXPHGNVKFB-GWCFXTLKSA-N 1 0 272.364 2.402 10 0 CEAERO CC[NH2+][C@H](CC)c1ccc(OC[C@@H](C)C(N)=O)cc1 ZINC000037226968 173047303 /nfs/dbraw/zinc/04/73/03/173047303.db2.gz RXVRQJFBFCMGSA-BXUZGUMPSA-N 1 0 264.369 2.247 10 0 CEAERO CCC[NH2+][C@@H]1CCN(CCc2ccc(OC)cc2)C1 ZINC000037240625 173057277 /nfs/dbraw/zinc/05/72/77/173057277.db2.gz OLBPLUDHIVJQRX-OAHLLOKOSA-N 1 0 262.397 2.312 10 0 CEAERO CC(C)c1nn(C)cc1C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000037243016 173058496 /nfs/dbraw/zinc/05/84/96/173058496.db2.gz BYDRHDLIPZNENJ-WCQYABFASA-N 1 0 251.374 2.201 10 0 CEAERO O=S1(=O)CC[C@@H]([NH2+]CC2CCC2)c2ccccc21 ZINC000037253608 173064703 /nfs/dbraw/zinc/06/47/03/173064703.db2.gz DZQNTNZWJZRORQ-CYBMUJFWSA-N 1 0 265.378 2.295 10 0 CEAERO C[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(C[NH3+])s2)C1 ZINC000037257131 173067896 /nfs/dbraw/zinc/06/78/96/173067896.db2.gz XRJSVDQZWNIIIV-VHSXEESVSA-N 1 0 288.438 2.064 10 0 CEAERO c1cc(C[NH2+]CCCOC[C@@H]2CCCO2)cc2c1OCO2 ZINC000037302207 173107975 /nfs/dbraw/zinc/10/79/75/173107975.db2.gz QHVMLQSKLNGAHT-AWEZNQCLSA-N 1 0 293.363 2.091 10 0 CEAERO Cc1ncsc1[C@@H](C)[NH2+][C@@H](C)Cn1cccn1 ZINC000037320050 173120168 /nfs/dbraw/zinc/12/01/68/173120168.db2.gz WVEAFRLQYJVVIZ-GXSJLCMTSA-N 1 0 250.371 2.387 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](c2nc3ccccc3n2C2CC2)C1 ZINC000037323692 173123813 /nfs/dbraw/zinc/12/38/13/173123813.db2.gz YWKGLTGAOPARSE-AAEUAGOBSA-N 1 0 257.337 2.421 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)Nc1cc(C)ccc1OC ZINC000037386313 173169177 /nfs/dbraw/zinc/16/91/77/173169177.db2.gz UGKFRRKSAZSORT-LLVKDONJSA-N 1 0 250.342 2.330 10 0 CEAERO C[C@@H]1CCC[C@@H](NC(=O)C[NH2+]C2CCCC2)[C@@H]1C ZINC000037387054 173170839 /nfs/dbraw/zinc/17/08/39/173170839.db2.gz SOJDYRSXQFDSSY-YRGRVCCFSA-N 1 0 252.402 2.460 10 0 CEAERO O=C(C[NH2+]C1CCCC1)Nc1cc(F)ccc1F ZINC000037386896 173170859 /nfs/dbraw/zinc/17/08/59/173170859.db2.gz SLVGJIYTAZEQPW-UHFFFAOYSA-N 1 0 254.280 2.436 10 0 CEAERO COC(C[NH2+]Cc1c(C)nn(-c2ccccc2)c1C)OC ZINC000037389160 173172630 /nfs/dbraw/zinc/17/26/30/173172630.db2.gz JUINSUOZHFRZTA-UHFFFAOYSA-N 1 0 289.379 2.198 10 0 CEAERO CC[C@@]([NH2+]C(C)C)(C(N)=O)c1ccc(Cl)cc1 ZINC000037446458 173213238 /nfs/dbraw/zinc/21/32/38/173213238.db2.gz URTXGNCYBKOEFM-ZDUSSCGKSA-N 1 0 254.761 2.429 10 0 CEAERO CCC[NH2+][C@@](CC)(C(N)=O)c1ccc(Cl)cc1 ZINC000037513788 173244784 /nfs/dbraw/zinc/24/47/84/173244784.db2.gz AEBXOAVJEPIDJA-CYBMUJFWSA-N 1 0 254.761 2.430 10 0 CEAERO CCC[NH2+][C@@](C)(C(N)=O)c1ccc(C(F)(F)F)cc1 ZINC000037513780 173244847 /nfs/dbraw/zinc/24/48/47/173244847.db2.gz JISLQJQJXATDJN-GFCCVEGCSA-N 1 0 274.286 2.406 10 0 CEAERO CC[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000037536736 173255830 /nfs/dbraw/zinc/25/58/30/173255830.db2.gz JTBBSPKGPOEUFB-UHFFFAOYSA-N 1 0 253.390 2.103 10 0 CEAERO CC[C@@H](C(=O)N(C)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000037540789 173262841 /nfs/dbraw/zinc/26/28/41/173262841.db2.gz LPKZSADETNGRPF-HUUCEWRRSA-N 1 0 260.381 2.391 10 0 CEAERO CCN(C(=O)c1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000037541194 173263057 /nfs/dbraw/zinc/26/30/57/173263057.db2.gz OMQQZFPNUCRNKL-CYBMUJFWSA-N 1 0 250.317 2.040 10 0 CEAERO COc1cccc(CC[NH3+])c1OCc1ccncc1 ZINC000037721605 173639698 /nfs/dbraw/zinc/63/96/98/173639698.db2.gz WZSHKNKZKJZMHP-UHFFFAOYSA-N 1 0 258.321 2.170 10 0 CEAERO COc1cccc(CC[NH3+])c1OCc1ccccn1 ZINC000037721602 173640020 /nfs/dbraw/zinc/64/00/20/173640020.db2.gz GRPLAMYCUIDQBM-UHFFFAOYSA-N 1 0 258.321 2.170 10 0 CEAERO O=C([C@@H]1CCC[NH2+]1)N1CCc2sccc2[C@H]1C1CC1 ZINC000037803142 173742429 /nfs/dbraw/zinc/74/24/29/173742429.db2.gz PVVLRMRKOOETFX-GXTWGEPZSA-N 1 0 276.405 2.336 10 0 CEAERO C[NH2+]CCCC(=O)N(C)[C@@H](C)c1ccccc1OC ZINC000037808335 173751696 /nfs/dbraw/zinc/75/16/96/173751696.db2.gz QFSHJBCOFMTAOA-LBPRGKRZSA-N 1 0 264.369 2.214 10 0 CEAERO CCNC(=O)c1cc(NC[C@@H](C)[NH+]2CCCCC2)ccn1 ZINC000038029264 174019883 /nfs/dbraw/zinc/01/98/83/174019883.db2.gz PIFXJYNROOPDJF-CYBMUJFWSA-N 1 0 290.411 2.118 10 0 CEAERO CCCCCNC(=O)[C@@H](C)N(CC[NH3+])Cc1ccccc1 ZINC000038033184 174030505 /nfs/dbraw/zinc/03/05/05/174030505.db2.gz ICCQXEKPIRLBIO-OAHLLOKOSA-N 1 0 291.439 2.142 10 0 CEAERO CCc1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCOC2)c1 ZINC000038045732 174053971 /nfs/dbraw/zinc/05/39/71/174053971.db2.gz CRSFBUCJKUYJIL-JKSUJKDBSA-N 1 0 293.407 2.005 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(F)cc1F ZINC000038049789 174060901 /nfs/dbraw/zinc/06/09/01/174060901.db2.gz MYINLXDKODKCNA-JQWIXIFHSA-N 1 0 269.295 2.356 10 0 CEAERO CC[C@H]([NH3+])[C@@H](O)c1ccc(OC)c(Br)c1 ZINC000038052384 174064115 /nfs/dbraw/zinc/06/41/15/174064115.db2.gz KPSYGMVTABJMRF-ONGXEEELSA-N 1 0 274.158 2.228 10 0 CEAERO CCOC(=O)CC[C@H]([NH3+])c1ccc2c(c1)CCCO2 ZINC000038058264 174068704 /nfs/dbraw/zinc/06/87/04/174068704.db2.gz GVSYHPNJRBBGMK-ZDUSSCGKSA-N 1 0 263.337 2.355 10 0 CEAERO CC(C)[C@@H]([NH2+]C[C@H]1COCCO1)c1cccs1 ZINC000038060963 174072249 /nfs/dbraw/zinc/07/22/49/174072249.db2.gz MGDQUAYPSNGMES-WCQYABFASA-N 1 0 255.383 2.450 10 0 CEAERO CC[C@@H](C)[NH2+][C@@](C)(C(N)=O)c1ccc(Cl)cc1 ZINC000038065642 174076690 /nfs/dbraw/zinc/07/66/90/174076690.db2.gz RXMDODWMIRMXEH-NOZJJQNGSA-N 1 0 254.761 2.429 10 0 CEAERO O=C(NCC[C@H]1CCCC[NH2+]1)Nc1cccc(F)c1 ZINC000038076428 174087017 /nfs/dbraw/zinc/08/70/17/174087017.db2.gz WJVZVSNZCGQSQP-GFCCVEGCSA-N 1 0 265.332 2.479 10 0 CEAERO C[C@H](NC(=O)Nc1cccc(F)c1)[C@H]1CCCC[NH2+]1 ZINC000038076439 174087107 /nfs/dbraw/zinc/08/71/07/174087107.db2.gz PBBYVLSRXGPXID-GXFFZTMASA-N 1 0 265.332 2.478 10 0 CEAERO C[C@H](CN[C@@H](c1cccs1)c1nccn1C)[NH+](C)C ZINC000038087560 174099906 /nfs/dbraw/zinc/09/99/06/174099906.db2.gz YNFYFWSBPMHXCD-YPMHNXCESA-N 1 0 278.425 2.111 10 0 CEAERO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COC(C)(C)C)o1 ZINC000038097792 174112843 /nfs/dbraw/zinc/11/28/43/174112843.db2.gz GXXUMGCJZHPCHY-NWDGAFQWSA-N 1 0 255.358 2.415 10 0 CEAERO CCOCCn1c2ccccc2nc1[C@@H]1CCC[NH2+]1 ZINC000040163811 174197120 /nfs/dbraw/zinc/19/71/20/174197120.db2.gz RBYSGEFICHPXRL-ZDUSSCGKSA-N 1 0 259.353 2.497 10 0 CEAERO COc1ccc(-c2nc(C[NH3+])cs2)c(OC)c1 ZINC000040419379 174257107 /nfs/dbraw/zinc/25/71/07/174257107.db2.gz FFIJAZLZNXCRJS-UHFFFAOYSA-N 1 0 250.323 2.286 10 0 CEAERO COc1ccc([C@H](C)NC(=O)C2([NH3+])CCCC2)cc1OC ZINC000040491289 174292627 /nfs/dbraw/zinc/29/26/27/174292627.db2.gz JZONZTQGIOAOLK-NSHDSACASA-N 1 0 292.379 2.153 10 0 CEAERO CCCO[C@@H]1CCCN(C(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000040501368 174297586 /nfs/dbraw/zinc/29/75/86/174297586.db2.gz HSXIXQQBSMMCPA-CABCVRRESA-N 1 0 276.380 2.104 10 0 CEAERO Cc1nc(C)c([C@H](C)NC(=O)[C@@H]2CCCC[NH2+]2)s1 ZINC000040519023 174308760 /nfs/dbraw/zinc/30/87/60/174308760.db2.gz DVLIPFQVCCXSEA-ONGXEEELSA-N 1 0 267.398 2.079 10 0 CEAERO CC(C)C[C@@H]([NH3+])C(=O)NCc1cc2c(s1)CCC2 ZINC000040627979 174356773 /nfs/dbraw/zinc/35/67/73/174356773.db2.gz RIAQNDQVCXIGML-GFCCVEGCSA-N 1 0 266.410 2.226 10 0 CEAERO CO[C@H]1C[NH2+][C@H](c2nc(-c3ccc(F)c(F)c3)c[nH]2)C1 ZINC000040637849 174362041 /nfs/dbraw/zinc/36/20/41/174362041.db2.gz CFBGBNZTGJBCMY-SKDRFNHKSA-N 1 0 279.290 2.404 10 0 CEAERO C[C@H]([NH2+]CCc1nccn1C)c1nc2ccccc2n1C ZINC000040638811 174363254 /nfs/dbraw/zinc/36/32/54/174363254.db2.gz VZLLUXKAVXASFE-LBPRGKRZSA-N 1 0 283.379 2.200 10 0 CEAERO COc1ccc2c(c1)[C@@H]([NH2+]CCc1nccn1C)CCO2 ZINC000040639313 174363814 /nfs/dbraw/zinc/36/38/14/174363814.db2.gz UGTDWKKEHKZEAQ-AWEZNQCLSA-N 1 0 287.363 2.085 10 0 CEAERO CC(C)C[NH2+][C@H](C(N)=O)c1cccc(OC(C)C)c1 ZINC000040666481 174366455 /nfs/dbraw/zinc/36/64/55/174366455.db2.gz ZCRKNOOMEXCVDT-AWEZNQCLSA-N 1 0 264.369 2.246 10 0 CEAERO C[C@@H]1CCC[C@](C[NH2+]C[C@@H]2CCOC2)(N(C)C)C1 ZINC000040668422 174367722 /nfs/dbraw/zinc/36/77/22/174367722.db2.gz PXMPOCPSOKPNNL-ILXRZTDVSA-N 1 0 254.418 2.123 10 0 CEAERO c1ccc(CCN2CC[C@@H]([NH2+]Cc3ccncc3)C2)cc1 ZINC000040671260 174368944 /nfs/dbraw/zinc/36/89/44/174368944.db2.gz MQYIAQMJMONBCG-GOSISDBHSA-N 1 0 281.403 2.488 10 0 CEAERO COc1ccc2cc(C[NH2+]C(C)(C)C(N)=O)ccc2c1 ZINC000040673905 174372310 /nfs/dbraw/zinc/37/23/10/174372310.db2.gz SNVFOGPWXJGORL-UHFFFAOYSA-N 1 0 272.348 2.202 10 0 CEAERO CCOC1CCN([C@@H](C[NH3+])Cc2ccccc2)CC1 ZINC000040678717 174374707 /nfs/dbraw/zinc/37/47/07/174374707.db2.gz MXNHIAJDKPXRBX-OAHLLOKOSA-N 1 0 262.397 2.057 10 0 CEAERO CCOC1CCN([C@@H](C[NH3+])c2ccc(C)o2)CC1 ZINC000040689117 174375704 /nfs/dbraw/zinc/37/57/04/174375704.db2.gz CWCBNAINTIQPOL-ZDUSSCGKSA-N 1 0 252.358 2.089 10 0 CEAERO CCOC1CCN(C[C@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000040690177 174376920 /nfs/dbraw/zinc/37/69/20/174376920.db2.gz ZCDINIOIMDPGKO-FMKPAKJESA-N 1 0 266.429 2.408 10 0 CEAERO C[C@@H]1CCN([C@@H](C[NH3+])c2cnn(-c3ccccc3)c2)C1 ZINC000040717581 174384828 /nfs/dbraw/zinc/38/48/28/174384828.db2.gz NIHISDLDIDBVTH-CJNGLKHVSA-N 1 0 270.380 2.214 10 0 CEAERO COc1ccc([C@H](C[NH3+])N2CC[C@@H](C)C2)c(OC)c1OC ZINC000040717509 174384839 /nfs/dbraw/zinc/38/48/39/174384839.db2.gz HFQKQIPUFISBHQ-YPMHNXCESA-N 1 0 294.395 2.054 10 0 CEAERO CCc1c(C)nn(Cc2cccc(C(N)=[NH2+])c2)c1C ZINC000040732790 174388634 /nfs/dbraw/zinc/38/86/34/174388634.db2.gz KXPGTFZLHYVFKJ-UHFFFAOYSA-N 1 0 256.353 2.395 10 0 CEAERO CCOc1ccc([C@H](C)[NH3+])cc1CN1C(=O)C[C@H](C)C1=O ZINC000040739722 174390641 /nfs/dbraw/zinc/39/06/41/174390641.db2.gz NRCIGDZJGZTRFM-QWRGUYRKSA-N 1 0 290.363 2.000 10 0 CEAERO CN(C(=O)c1c(F)cccc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746734 174392072 /nfs/dbraw/zinc/39/20/72/174392072.db2.gz RYESKUKBKKHLJY-ZACCUICWSA-N 1 0 280.318 2.320 10 0 CEAERO CC[N@H+](Cc1ccc(O)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747457 174392708 /nfs/dbraw/zinc/39/27/08/174392708.db2.gz MPGYWLATVJIICH-YIONKMFJSA-N 1 0 260.381 2.497 10 0 CEAERO CCCN(C(=O)C=C(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747917 174393324 /nfs/dbraw/zinc/39/33/24/174393324.db2.gz JVIYQYQZXABDTG-PBWFPOADSA-N 1 0 250.386 2.474 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CCCCC1 ZINC000040749500 174394485 /nfs/dbraw/zinc/39/44/85/174394485.db2.gz JLJGOUSTEDRDOQ-AGUYFDCRSA-N 1 0 250.386 2.438 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1cccc(F)c1F ZINC000040750457 174395752 /nfs/dbraw/zinc/39/57/52/174395752.db2.gz RQXIJPZTZPASCZ-YOGCLGLASA-N 1 0 252.308 2.419 10 0 CEAERO CC(C)([NH3+])c1cn(Cc2ccc3ccccc3n2)nn1 ZINC000070118848 414764972 /nfs/dbraw/zinc/76/49/72/414764972.db2.gz CCVNHKNGMMQADA-UHFFFAOYSA-N 1 0 267.336 2.068 10 0 CEAERO C[C@@H]1CC[C@H](NC(=O)C2CCC([NH3+])CC2)[C@H](C)C1 ZINC000070114755 414765244 /nfs/dbraw/zinc/76/52/44/414765244.db2.gz WQRTWGDBVQMJSY-AYZDXNEBSA-N 1 0 252.402 2.445 10 0 CEAERO [NH3+]CCCCC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000070202140 414769793 /nfs/dbraw/zinc/76/97/93/414769793.db2.gz OBXICVQIQFJBPD-NXEZZACHSA-N 1 0 266.307 2.353 10 0 CEAERO C[C@@H]([NH3+])c1noc(COc2ccc(Cl)cc2)n1 ZINC000041121711 174487277 /nfs/dbraw/zinc/48/72/77/174487277.db2.gz PXLWNRJOFMYTNE-SSDOTTSWSA-N 1 0 253.689 2.322 10 0 CEAERO COc1ccc(-c2nc(CC[NH3+])cs2)cc1F ZINC000041322049 174518560 /nfs/dbraw/zinc/51/85/60/174518560.db2.gz JLRHSDIIVCIVTP-UHFFFAOYSA-N 1 0 252.314 2.459 10 0 CEAERO C[C@@H]1CN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CCc2ccccc21 ZINC000404846582 414790799 /nfs/dbraw/zinc/79/07/99/414790799.db2.gz PAAAMYPVOMIOHL-YUELXQCFSA-N 1 0 272.392 2.302 10 0 CEAERO Cc1cscc1C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662981799 414817072 /nfs/dbraw/zinc/81/70/72/414817072.db2.gz QZSNHJRXBQOONP-QMMMGPOBSA-N 1 0 266.288 2.018 10 0 CEAERO CSc1cccc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)c1 ZINC000660480377 414841403 /nfs/dbraw/zinc/84/14/03/414841403.db2.gz UCQZANDADWTRTM-GWCFXTLKSA-N 1 0 264.394 2.165 10 0 CEAERO CC(C)C[NH+](CC(C)C)[C@]1(CN)CN2CCC1CC2 ZINC000042033754 174634175 /nfs/dbraw/zinc/63/41/75/174634175.db2.gz LHHIKWOAVLKDKL-MRXNPFEDSA-N 1 0 267.461 2.024 10 0 CEAERO Cc1nc(NCC23CC(C2)C[NH2+]3)ccc1Br ZINC000663273729 414899669 /nfs/dbraw/zinc/89/96/69/414899669.db2.gz GVMPYQNWFVZAEF-UHFFFAOYSA-N 1 0 282.185 2.316 10 0 CEAERO Brc1cccnc1NCC12CC(C1)C[NH2+]2 ZINC000663274661 414899790 /nfs/dbraw/zinc/89/97/90/414899790.db2.gz TUCMMRVXZUUFSU-UHFFFAOYSA-N 1 0 268.158 2.008 10 0 CEAERO CC(C)[NH2+]C[C@@H](O)CN(Cc1cccs1)C(C)C ZINC000042518049 174769390 /nfs/dbraw/zinc/76/93/90/174769390.db2.gz UQXYICFSYPZJEI-CYBMUJFWSA-N 1 0 270.442 2.317 10 0 CEAERO CCC(CC)N(CCO)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000042526766 174776900 /nfs/dbraw/zinc/77/69/00/174776900.db2.gz CEYJYAWMTSAQKC-UHFFFAOYSA-N 1 0 279.384 2.160 10 0 CEAERO CC[C@H](C)N(CCOC)c1c(C[NH2+]C2CC2)c(C)nn1C ZINC000042588679 174810377 /nfs/dbraw/zinc/81/03/77/174810377.db2.gz CUJSQTWQKSKEKG-LBPRGKRZSA-N 1 0 294.443 2.232 10 0 CEAERO C[C@@H](OCc1ccccc1)C(=O)NCCC1CC[NH2+]CC1 ZINC000653270273 414965663 /nfs/dbraw/zinc/96/56/63/414965663.db2.gz KLIHULNALVHFIR-CQSZACIVSA-N 1 0 290.407 2.098 10 0 CEAERO CN1C[C@@H](C[NH2+]Cc2ccccc2C(F)(F)F)CC1=O ZINC000657695239 415050340 /nfs/dbraw/zinc/05/03/40/415050340.db2.gz WPSDKLXEBMDPBB-SNVBAGLBSA-N 1 0 286.297 2.273 10 0 CEAERO CN1C[C@@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2)CC1=O ZINC000657694331 415051131 /nfs/dbraw/zinc/05/11/31/415051131.db2.gz JURIDGAKPNSDEF-LLVKDONJSA-N 1 0 286.297 2.273 10 0 CEAERO CC[N@H+](CCC(=O)Nc1cc(N)ccc1C)[C@@H](C)COC ZINC000042737861 174860278 /nfs/dbraw/zinc/86/02/78/174860278.db2.gz PKMQUNNXOGKISI-ZDUSSCGKSA-N 1 0 293.411 2.263 10 0 CEAERO OCC1CC([NH2+]Cc2cc(Br)cs2)C1 ZINC000657808213 415087958 /nfs/dbraw/zinc/08/79/58/415087958.db2.gz COMVSDSOIAKIOV-UHFFFAOYSA-N 1 0 276.199 2.371 10 0 CEAERO Cc1ccc([C@@H](Sc2nncn2C)[C@H](C)[NH3+])cc1 ZINC000042912002 174910694 /nfs/dbraw/zinc/91/06/94/174910694.db2.gz IDNMFUGKORMQTG-JQWIXIFHSA-N 1 0 262.382 2.304 10 0 CEAERO CCCc1nccnc1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000663976161 415106910 /nfs/dbraw/zinc/10/69/10/415106910.db2.gz XGFGENWDJUPKLH-YHWZYXNKSA-N 1 0 260.385 2.466 10 0 CEAERO CCOC(=O)CS[C@H](C[NH3+])c1ccccc1C ZINC000043041734 174953517 /nfs/dbraw/zinc/95/35/17/174953517.db2.gz XBBIFMUCUYRPSU-GFCCVEGCSA-N 1 0 253.367 2.291 10 0 CEAERO Cc1ccccc1[C@@H](Sc1nncn1C)[C@H](C)[NH3+] ZINC000043041028 174953829 /nfs/dbraw/zinc/95/38/29/174953829.db2.gz GAZCDRHURWQRCY-JQWIXIFHSA-N 1 0 262.382 2.304 10 0 CEAERO Cc1ccc([C@H](Sc2nc[nH]n2)[C@@H](C)[NH3+])s1 ZINC000043246161 174990906 /nfs/dbraw/zinc/99/09/06/174990906.db2.gz OGDVFRAXIXZGLU-VXNVDRBHSA-N 1 0 254.384 2.355 10 0 CEAERO Cc1ccsc1[C@H](Sc1nc[nH]n1)[C@H](C)[NH3+] ZINC000043250742 174994121 /nfs/dbraw/zinc/99/41/21/174994121.db2.gz NNHILBCWWWMYMS-IONNQARKSA-N 1 0 254.384 2.355 10 0 CEAERO CC[NH2+][C@@H](c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000043300985 175001579 /nfs/dbraw/zinc/00/15/79/175001579.db2.gz FWJJNIGWFWWCAS-ZWNOBZJWSA-N 1 0 287.812 2.425 10 0 CEAERO CC(C)OC(=O)c1ccc(N[C@H]2CCC[NH2+]C2)cc1 ZINC000043326070 175007483 /nfs/dbraw/zinc/00/74/83/175007483.db2.gz ZGHFQKODLLCSPW-AWEZNQCLSA-N 1 0 262.353 2.416 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccco1)N(CCO)C1CCCC1 ZINC000043336150 175012184 /nfs/dbraw/zinc/01/21/84/175012184.db2.gz HHBJEPIOAIPKGD-UKRRQHHQSA-N 1 0 266.385 2.295 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccccn1)N(C)Cc1cc(C)on1 ZINC000043339486 175013663 /nfs/dbraw/zinc/01/36/63/175013663.db2.gz FTJXQARMCSTFDY-UKRRQHHQSA-N 1 0 274.368 2.288 10 0 CEAERO CCC(CC)N(CCO)[C@@H](c1ccccn1)[C@H]([NH3+])CC ZINC000043340833 175014234 /nfs/dbraw/zinc/01/42/34/175014234.db2.gz SGFYOWGETBRPMY-GDBMZVCRSA-N 1 0 279.428 2.343 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccccn1)n1cc(Br)cn1 ZINC000043341477 175015031 /nfs/dbraw/zinc/01/50/31/175015031.db2.gz QEPINCBMPHXMIF-JQWIXIFHSA-N 1 0 295.184 2.367 10 0 CEAERO CCc1c(C)nn([C@@H](c2ccccn2)[C@@H](C)[NH3+])c1C ZINC000043341521 175015425 /nfs/dbraw/zinc/01/54/25/175015425.db2.gz AKGTWTNTVGAEAT-MEBBXXQBSA-N 1 0 258.369 2.394 10 0 CEAERO COc1ccc(CO[C@@H](C[NH3+])c2ccccn2)cc1 ZINC000043343149 175015647 /nfs/dbraw/zinc/01/56/47/175015647.db2.gz GTDFJFHCIQGQIM-HNNXBMFYSA-N 1 0 258.321 2.307 10 0 CEAERO CC[C@H]([NH3+])[C@@H](OC[C@@H]1CCCCO1)c1ccccn1 ZINC000043342874 175015679 /nfs/dbraw/zinc/01/56/79/175015679.db2.gz GOGMCGJGCYDKNE-KCQAQPDRSA-N 1 0 264.369 2.446 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Oc1ccc(C(N)=O)cc1)c1ccccn1 ZINC000043343234 175015742 /nfs/dbraw/zinc/01/57/42/175015742.db2.gz AUTPASMPTFYSSW-UKRRQHHQSA-N 1 0 285.347 2.038 10 0 CEAERO CC[C@H]([NH3+])[C@H](OC[C@@H]1CCCO1)c1ccccn1 ZINC000043342719 175015821 /nfs/dbraw/zinc/01/58/21/175015821.db2.gz GIHFYBWOXTUKGY-OBJOEFQTSA-N 1 0 250.342 2.056 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](SCCC(=O)OC)c1ccccn1 ZINC000043345061 175016179 /nfs/dbraw/zinc/01/61/79/175016179.db2.gz CFBLOLSROFXGEC-ZWNOBZJWSA-N 1 0 268.382 2.156 10 0 CEAERO C[C@@H]([NH3+])[C@@H](OCCc1ccccn1)c1cccnc1 ZINC000043350956 175019941 /nfs/dbraw/zinc/01/99/41/175019941.db2.gz CWMOLMFLSQOROX-IUODEOHRSA-N 1 0 257.337 2.124 10 0 CEAERO CC[C@H]([NH3+])[C@H](SCCC(=O)OC)c1cccnc1 ZINC000043352598 175020004 /nfs/dbraw/zinc/02/00/04/175020004.db2.gz XANQUEDFFSMBNQ-WCQYABFASA-N 1 0 268.382 2.156 10 0 CEAERO Cc1nnc(S[C@@H](C[NH3+])c2cccnc2)s1 ZINC000043352667 175020198 /nfs/dbraw/zinc/02/01/98/175020198.db2.gz SUGULFMVMNEWGI-VIFPVBQESA-N 1 0 252.368 2.034 10 0 CEAERO CC[C@@H]([NH3+])[C@H](OCCOC(C)C)c1ccncc1 ZINC000043355684 175023105 /nfs/dbraw/zinc/02/31/05/175023105.db2.gz CJDGIQAMFNMIJJ-ZIAGYGMSSA-N 1 0 252.358 2.302 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccc(C)o1)N1CCOCC1(C)C ZINC000043364750 175025536 /nfs/dbraw/zinc/02/55/36/175025536.db2.gz IPKACPBMRDEUIQ-GXTWGEPZSA-N 1 0 266.385 2.477 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccc(C)o1)N(CCOC)[C@@H](C)COC ZINC000043365278 175026849 /nfs/dbraw/zinc/02/68/49/175026849.db2.gz ZLJUYIVOFLUURU-DUVNUKRYSA-N 1 0 298.427 2.350 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)N(CC(N)=O)C1CCCC1 ZINC000043365103 175026932 /nfs/dbraw/zinc/02/69/32/175026932.db2.gz FIDMSUOCAGKDDX-CJNGLKHVSA-N 1 0 293.411 2.096 10 0 CEAERO CC[C@@H]([NH3+])[C@H](N(C)[C@@H]1CCSC1)C(F)(F)F ZINC000043377119 175030276 /nfs/dbraw/zinc/03/02/76/175030276.db2.gz SNYWJBZAWLFJDW-HLTSFMKQSA-N 1 0 256.337 2.092 10 0 CEAERO CCN(Cc1ccncc1)[C@H]([C@@H](C)[NH3+])C(F)(F)F ZINC000043378527 175030657 /nfs/dbraw/zinc/03/06/57/175030657.db2.gz LSHPWMOTWOZIQB-MWLCHTKSSA-N 1 0 261.291 2.182 10 0 CEAERO CCCO[C@H]1CCCN([C@@H]([C@@H](C)[NH3+])C(F)(F)F)C1 ZINC000043378797 175030810 /nfs/dbraw/zinc/03/08/10/175030810.db2.gz ZGWRXTYKPZFUCM-VWYCJHECSA-N 1 0 268.323 2.156 10 0 CEAERO CC[C@@H]([NH3+])[C@H](n1nnc(-c2ccccc2)n1)C(F)(F)F ZINC000043383027 175031195 /nfs/dbraw/zinc/03/11/95/175031195.db2.gz NGKQMVBYSVCSRL-ZJUUUORDSA-N 1 0 285.273 2.181 10 0 CEAERO C[C@@H]([NH3+])[C@@H](OCc1ccc2c(c1)OCO2)C(F)(F)F ZINC000043384279 175031831 /nfs/dbraw/zinc/03/18/31/175031831.db2.gz WQFBFLZTGYXVOM-RDDDGLTNSA-N 1 0 277.242 2.210 10 0 CEAERO CC[C@@H]1CN([C@@H](C[NH3+])c2cc(C)cc(C)c2)CCO1 ZINC000043394116 175035074 /nfs/dbraw/zinc/03/50/74/175035074.db2.gz BNMFNVZUUILHPZ-CVEARBPZSA-N 1 0 262.397 2.414 10 0 CEAERO CCC[NH+]1CCC(Nc2nc(C)ccc2C(N)=S)CC1 ZINC000043396923 175036743 /nfs/dbraw/zinc/03/67/43/175036743.db2.gz CCDBTDRJHGUPNN-UHFFFAOYSA-N 1 0 292.452 2.311 10 0 CEAERO CCCn1c2cccc(F)c2nc1[C@@H]1C[NH2+]CCO1 ZINC000043705117 175099188 /nfs/dbraw/zinc/09/91/88/175099188.db2.gz ZELRLJBRFTYLES-LBPRGKRZSA-N 1 0 263.316 2.246 10 0 CEAERO C[NH2+][C@H](CN1CCOCC1)c1cccc2ccccc21 ZINC000043807901 175109125 /nfs/dbraw/zinc/10/91/25/175109125.db2.gz WKCGSBURFIRFRT-QGZVFWFLSA-N 1 0 270.376 2.433 10 0 CEAERO CC[C@@H]1CC[C@@H]([NH2+]C)[C@H](N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000043811306 175110594 /nfs/dbraw/zinc/11/05/94/175110594.db2.gz DQJLDFVESHTIGH-XLWJZTARSA-N 1 0 254.418 2.262 10 0 CEAERO CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N1C[C@@H](C)O[C@@H](C)C1 ZINC000043811476 175110958 /nfs/dbraw/zinc/11/09/58/175110958.db2.gz CKLANGMEPUZGNY-MRLBHPIUSA-N 1 0 254.418 2.262 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2OC[C@@H]1N1C[C@@H](C)O[C@@H](C)C1 ZINC000043811558 175111283 /nfs/dbraw/zinc/11/12/83/175111283.db2.gz HJUBLTTUBHVXSX-YXPYIKCWSA-N 1 0 290.407 2.207 10 0 CEAERO CCC[NH2+][C@H](CN(C)C)c1ccc2c(c1)OCCO2 ZINC000043816239 175112135 /nfs/dbraw/zinc/11/21/35/175112135.db2.gz IZHSGWLESPFMDK-CYBMUJFWSA-N 1 0 264.369 2.060 10 0 CEAERO CCC[NH2+][C@@H]1CCC[C@@H]1N(C)CCc1ccccn1 ZINC000043818908 175113670 /nfs/dbraw/zinc/11/36/70/175113670.db2.gz NLDXYYXTQNAOCL-CVEARBPZSA-N 1 0 261.413 2.477 10 0 CEAERO CC[NH2+][C@@H](CN(C)C1CC1)c1ccc(OC)c(OC)c1 ZINC000043823298 175114332 /nfs/dbraw/zinc/11/43/32/175114332.db2.gz VHEDWHNRKXKNLY-AWEZNQCLSA-N 1 0 278.396 2.449 10 0 CEAERO CC[C@H]1CN([C@@H]2CCCCCC[C@@H]2[NH2+]C)CCO1 ZINC000043892790 175118572 /nfs/dbraw/zinc/11/85/72/175118572.db2.gz AZPCZFNNLSNXAA-SOUVJXGZSA-N 1 0 254.418 2.408 10 0 CEAERO CC[C@H]1COCCN1[C@@H]1CCCCCC[C@@H]1[NH2+]C ZINC000043898901 175121322 /nfs/dbraw/zinc/12/13/22/175121322.db2.gz VWLIQBKGJQQYDH-SOUVJXGZSA-N 1 0 254.418 2.408 10 0 CEAERO CC[C@H]1CO[C@H](C)CN1[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C ZINC000043913796 175124126 /nfs/dbraw/zinc/12/41/26/175124126.db2.gz PYSJQBJZIQHAFP-UOJCXKCYSA-N 1 0 274.408 2.371 10 0 CEAERO CCC[NH2+][C@H]1CCCC[C@@H]1N(C)Cc1cnn(C)c1 ZINC000043967322 175128595 /nfs/dbraw/zinc/12/85/95/175128595.db2.gz PZTQQLOSSMHVQQ-GJZGRUSLSA-N 1 0 264.417 2.163 10 0 CEAERO CCC[NH2+][C@@H]1CCOC[C@@H]1N(CC)Cc1ccncc1 ZINC000043968955 175130545 /nfs/dbraw/zinc/13/05/45/175130545.db2.gz FMKGQZQLTUBQLK-CVEARBPZSA-N 1 0 277.412 2.061 10 0 CEAERO CC[C@@H]1CCc2nc(N3CC[NH2+]CC3)sc2C1 ZINC000044494104 175181409 /nfs/dbraw/zinc/18/14/09/175181409.db2.gz DMFWRTHCZMDUBB-SNVBAGLBSA-N 1 0 251.399 2.068 10 0 CEAERO C[C@H](Oc1ccc2c(c1)CCC[C@@H]2[NH3+])C(=O)NC1CC1 ZINC000044744931 175241454 /nfs/dbraw/zinc/24/14/54/175241454.db2.gz CGNCFWCKFZVZDC-BONVTDFDSA-N 1 0 274.364 2.069 10 0 CEAERO C[NH2+][C@@H]1CCCc2cc(O[C@@H]3CCCCNC3=O)ccc21 ZINC000044745347 175241865 /nfs/dbraw/zinc/24/18/65/175241865.db2.gz XFOOGOXYAWPDAU-HZPDHXFCSA-N 1 0 288.391 2.331 10 0 CEAERO C[C@H]1C[C@H](C)CN(C(=O)C2(C[NH3+])CCCCC2)C1 ZINC000044753388 175246108 /nfs/dbraw/zinc/24/61/08/175246108.db2.gz IOWWGPZQYRBLIF-STQMWFEESA-N 1 0 252.402 2.400 10 0 CEAERO [NH3+]CC1(C(=O)N2CCO[C@@H]3CCCC[C@H]32)CCCCCC1 ZINC000044764355 175248500 /nfs/dbraw/zinc/24/85/00/175248500.db2.gz USXDQNXOGRVWBX-HUUCEWRRSA-N 1 0 294.439 2.456 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000044797232 175254539 /nfs/dbraw/zinc/25/45/39/175254539.db2.gz IZIVSIYPQCYIEG-IXUJDMMCSA-N 1 0 264.413 2.446 10 0 CEAERO CCCN(C(=O)[C@@H](C[NH3+])Cc1ccccc1)C1CC1 ZINC000044800501 175255575 /nfs/dbraw/zinc/25/55/75/175255575.db2.gz PZUZULNRBRNBSD-CQSZACIVSA-N 1 0 260.381 2.205 10 0 CEAERO C[C@H](C1CC1)N(C)C(=O)[C@H](C[NH3+])Cc1ccccc1 ZINC000044801954 175255615 /nfs/dbraw/zinc/25/56/15/175255615.db2.gz LNFARKGXALDPKJ-DOMZBBRYSA-N 1 0 260.381 2.061 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)N[C@H](C)c1cc(C)oc1C ZINC000044808553 175257544 /nfs/dbraw/zinc/25/75/44/175257544.db2.gz UHAKAVHZIVEEHR-PWSUYJOCSA-N 1 0 252.358 2.449 10 0 CEAERO C[C@@H]([NH3+])c1ccc(NC(=O)NC[C@H]2CCCOC2)cc1 ZINC000044981682 175283627 /nfs/dbraw/zinc/28/36/27/175283627.db2.gz RWLIWQFOOPJTME-VXGBXAGGSA-N 1 0 277.368 2.254 10 0 CEAERO CCC1CCC(CNS(=O)(=O)CC[NH2+]C(C)C)CC1 ZINC000045012265 175289961 /nfs/dbraw/zinc/28/99/61/175289961.db2.gz FRKUWMPKGNQHCX-UHFFFAOYSA-N 1 0 290.473 2.120 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1cnn(C)c1)n1ccnc1-c1cccs1 ZINC000045047759 175297205 /nfs/dbraw/zinc/29/72/05/175297205.db2.gz BZEKPOSUICCTSI-GWCFXTLKSA-N 1 0 287.392 2.282 10 0 CEAERO COCC[C@](C)(CN)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045071115 175301091 /nfs/dbraw/zinc/30/10/91/175301091.db2.gz OXLJKONMPXBAKG-HUUCEWRRSA-N 1 0 254.418 2.395 10 0 CEAERO CCCNC(=O)CC[NH2+][C@@H](C)c1scnc1C ZINC000045072906 175302500 /nfs/dbraw/zinc/30/25/00/175302500.db2.gz HHRZHNVNUSLVMI-VIFPVBQESA-N 1 0 255.387 2.018 10 0 CEAERO CCC[N@H+](CC(N)=S)[C@H](C)C(=O)Nc1ccccc1 ZINC000045093535 175306948 /nfs/dbraw/zinc/30/69/48/175306948.db2.gz DLIAUPBOVANNMA-LLVKDONJSA-N 1 0 279.409 2.012 10 0 CEAERO C[C@@H](CNCc1nc2cc(Cl)ccc2c(=O)[nH]1)[NH+](C)C ZINC000045107658 175308045 /nfs/dbraw/zinc/30/80/45/175308045.db2.gz WBFMJSPBPAGGQQ-VIFPVBQESA-N 1 0 294.786 2.029 10 0 CEAERO [NH3+]CC1(C(=O)NCCCCn2ccnc2)CCCCCC1 ZINC000045107995 175308669 /nfs/dbraw/zinc/30/86/69/175308669.db2.gz HWXGNVCZEQEESO-UHFFFAOYSA-N 1 0 292.427 2.079 10 0 CEAERO Cc1ccc(NC(=O)CNC[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000045135168 175312362 /nfs/dbraw/zinc/31/23/62/175312362.db2.gz JRPDUNFVFWXBPA-HNNXBMFYSA-N 1 0 289.423 2.253 10 0 CEAERO CC[C@H]([NH3+])c1cccc(S(=O)(=O)N[C@@H]2CC2(C)C)c1 ZINC000045138167 175314453 /nfs/dbraw/zinc/31/44/53/175314453.db2.gz BNBPGHXBRXHKGO-QWHCGFSZSA-N 1 0 282.409 2.173 10 0 CEAERO C[NH2+][C@H](C)c1ccc(S(=O)(=O)N[C@@H]2CC2(C)C)cc1 ZINC000045138119 175314458 /nfs/dbraw/zinc/31/44/58/175314458.db2.gz YQPXDDJBSHPAKW-ZWNOBZJWSA-N 1 0 282.409 2.044 10 0 CEAERO COc1ccc(Cl)cc1C[N@H+](C)[C@H](C)C(N)=S ZINC000045147025 175317340 /nfs/dbraw/zinc/31/73/40/175317340.db2.gz ONOSMNRKCXSHIB-MRVPVSSYSA-N 1 0 272.801 2.455 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+][C@H](CC(C)C)C(=O)NC)c1C ZINC000045171266 175321277 /nfs/dbraw/zinc/32/12/77/175321277.db2.gz FBHWPZURXUGUTN-SMDDNHRTSA-N 1 0 294.443 2.331 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]CCn2cccn2)c1C ZINC000045172292 175321809 /nfs/dbraw/zinc/32/18/09/175321809.db2.gz WMMJCCOLUGYRGQ-LLVKDONJSA-N 1 0 261.373 2.067 10 0 CEAERO C[NH2+]C[C@H]1CCCN([C@@H](C)c2c(C)nn(C)c2C)C1 ZINC000045173269 175322411 /nfs/dbraw/zinc/32/24/11/175322411.db2.gz JWJUJTHECRLARI-UONOGXRCSA-N 1 0 264.417 2.029 10 0 CEAERO C[C@](CC[NH+]1CCCCCCC1)([NH2+]C1CC1)C(=O)[O-] ZINC000045223733 175331295 /nfs/dbraw/zinc/33/12/95/175331295.db2.gz RBHDJWPDSZKCSC-OAHLLOKOSA-N 1 0 268.401 2.238 10 0 CEAERO CN[C@@](C[NH+]1CCCCCC1)(C(=O)OC)c1ccccc1 ZINC000045228680 175333924 /nfs/dbraw/zinc/33/39/24/175333924.db2.gz UZIBNHANKOYSPS-QGZVFWFLSA-N 1 0 290.407 2.150 10 0 CEAERO CCC[NH+](CCC)C[C@](NC)(C(=O)OC)c1ccccc1 ZINC000045230222 175334304 /nfs/dbraw/zinc/33/43/04/175334304.db2.gz AIXRTOWLROOTKQ-QGZVFWFLSA-N 1 0 292.423 2.396 10 0 CEAERO CCOC(=O)[C@@](C)(CC[N@H+](C)C(C)C)NC(C)C ZINC000045229677 175334327 /nfs/dbraw/zinc/33/43/27/175334327.db2.gz YPAUXKNSQAGJFV-CQSZACIVSA-N 1 0 258.406 2.037 10 0 CEAERO CCC[NH+](CCC)CC[C@@](C)(NC1CC1)C(=O)OC ZINC000045230538 175334838 /nfs/dbraw/zinc/33/48/38/175334838.db2.gz GFQWPCNLHFYTPI-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CCOC(=O)[C@@](C)(C[NH+]1[C@@H](C)CCC[C@@H]1C)NC1CC1 ZINC000045231839 175335429 /nfs/dbraw/zinc/33/54/29/175335429.db2.gz SEMORHGQILERNZ-HEHGZKQESA-N 1 0 282.428 2.323 10 0 CEAERO CCOC(=O)[C@](N)(C[N@H+](CC)CC(C)C)c1ccccc1 ZINC000045264041 175337950 /nfs/dbraw/zinc/33/79/50/175337950.db2.gz OIEIYPKBXRHGNV-KRWDZBQOSA-N 1 0 292.423 2.382 10 0 CEAERO CCCN[C@@](C)(CC[N@H+](CC)C1CC1)C(=O)OCC ZINC000045267333 175339970 /nfs/dbraw/zinc/33/99/70/175339970.db2.gz CBEMITLSCBNPSI-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CCCCC[N@H+](C)CC[C@](C)(NCCC)C(=O)OC ZINC000045268243 175341013 /nfs/dbraw/zinc/34/10/13/175341013.db2.gz VQYCHDZMONBYCL-HNNXBMFYSA-N 1 0 272.433 2.430 10 0 CEAERO CCN[C@@](C)(CC[N@H+](C)C(CC)CC)C(=O)OC ZINC000045269725 175341352 /nfs/dbraw/zinc/34/13/52/175341352.db2.gz KNNBVYZABMCQHY-AWEZNQCLSA-N 1 0 258.406 2.038 10 0 CEAERO COC(=O)[C@@](C)(C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)NC1CC1 ZINC000045272107 175343530 /nfs/dbraw/zinc/34/35/30/175343530.db2.gz USSTUCDUULCDNY-JJRVBVJISA-N 1 0 294.439 2.182 10 0 CEAERO COC(=O)[C@@](C)(C[N@H+](C)[C@@H](C)C(C)(C)C)NC(C)C ZINC000045274739 175345076 /nfs/dbraw/zinc/34/50/76/175345076.db2.gz YLKGVRVBGRYAMP-SWLSCSKDSA-N 1 0 272.433 2.283 10 0 CEAERO CN[C@@](C)(CC[N@H+](C)[C@@H]1CCCC[C@@H]1C)C(=O)OC ZINC000045279106 175349395 /nfs/dbraw/zinc/34/93/95/175349395.db2.gz YXWXFKPDRIKLEB-GUTXKFCHSA-N 1 0 270.417 2.038 10 0 CEAERO CCCN[C@](C)(C[N@H+](CC(C)C)C(C)C)C(=O)OC ZINC000045280699 175351075 /nfs/dbraw/zinc/35/10/75/175351075.db2.gz WLBVDRPMBMSONZ-OAHLLOKOSA-N 1 0 272.433 2.284 10 0 CEAERO CCOC(=O)[C@](C)(C[NH+]1CCC(CC)CC1)NC1CC1 ZINC000045281404 175351685 /nfs/dbraw/zinc/35/16/85/175351685.db2.gz ZLARQZNGBHHJEG-INIZCTEOSA-N 1 0 282.428 2.182 10 0 CEAERO CCOC(=O)[C@](C)(CC[N@H+](C)CCC(C)C)NC1CC1 ZINC000045281318 175351712 /nfs/dbraw/zinc/35/17/12/175351712.db2.gz CIIZSHZOALOMCA-INIZCTEOSA-N 1 0 284.444 2.428 10 0 CEAERO CCCN[C@](C)(CC[N@H+](C)CCC(C)C)C(=O)OC ZINC000045281299 175351954 /nfs/dbraw/zinc/35/19/54/175351954.db2.gz RWZFBPVHHMJIET-OAHLLOKOSA-N 1 0 272.433 2.286 10 0 CEAERO CCC1CCC([N@H+](C)CC[C@](C)(N)C(=O)OC)CC1 ZINC000045281137 175352030 /nfs/dbraw/zinc/35/20/30/175352030.db2.gz MCXOZTRLWZUURS-PIMMBPRGSA-N 1 0 270.417 2.168 10 0 CEAERO CCCN[C@](C)(CC[N@H+](C)CC1CCCCC1)C(N)=O ZINC000045281674 175353012 /nfs/dbraw/zinc/35/30/12/175353012.db2.gz RIJCPPMSUWJFQP-MRXNPFEDSA-N 1 0 283.460 2.132 10 0 CEAERO CCCC[N@H+](C)CCC[C@](C)(NC(C)C)C(=O)OC ZINC000045368398 175363532 /nfs/dbraw/zinc/36/35/32/175363532.db2.gz SFAAZFGKKVAQQP-HNNXBMFYSA-N 1 0 272.433 2.428 10 0 CEAERO C[C@]([NH3+])(CCCC[NH+]1CCCCCCC1)C(=O)[O-] ZINC000045371128 175364063 /nfs/dbraw/zinc/36/40/63/175364063.db2.gz MLHMYMGNBAIVQF-AWEZNQCLSA-N 1 0 256.390 2.225 10 0 CEAERO CCCN[C@@H](C[NH+]1CCCCCCC1)C(=O)OCC ZINC000045371269 175364208 /nfs/dbraw/zinc/36/42/08/175364208.db2.gz RWHONPDEGPPXDF-AWEZNQCLSA-N 1 0 270.417 2.184 10 0 CEAERO CCN[C@@](C)(CCCC[NH+]1CCC(C)CC1)C(=O)OC ZINC000045374803 175365809 /nfs/dbraw/zinc/36/58/09/175365809.db2.gz WHJMGZMLOUEQJX-INIZCTEOSA-N 1 0 284.444 2.430 10 0 CEAERO CCOC(=O)[C@](C)(CCCC[NH+](CC)CC)NC ZINC000045375834 175366336 /nfs/dbraw/zinc/36/63/36/175366336.db2.gz MLAMOOVQPCPQMP-AWEZNQCLSA-N 1 0 258.406 2.040 10 0 CEAERO C[C@](CCC[NH+]1CCCCCC1)([NH2+]C1CC1)C(=O)[O-] ZINC000045377502 175367184 /nfs/dbraw/zinc/36/71/84/175367184.db2.gz VFFMSFFZOBAHSW-OAHLLOKOSA-N 1 0 268.401 2.238 10 0 CEAERO COC(=O)[C@@](C)(CCCC[NH+]1CCCCC1)NC1CC1 ZINC000045378284 175367407 /nfs/dbraw/zinc/36/74/07/175367407.db2.gz PQMCIWNSADVVKD-MRXNPFEDSA-N 1 0 282.428 2.326 10 0 CEAERO COC(=O)[C@@](C)(CCCC[N@H+](C)C(C)C)NC1CC1 ZINC000045378011 175367435 /nfs/dbraw/zinc/36/74/35/175367435.db2.gz QEIHCTPZWSASLC-OAHLLOKOSA-N 1 0 270.417 2.181 10 0 CEAERO CCC[NH+](CCC)CCCC[C@@](C)([NH2+]C)C(=O)[O-] ZINC000045378484 175367845 /nfs/dbraw/zinc/36/78/45/175367845.db2.gz ALWAOPJTXSUQLD-CQSZACIVSA-N 1 0 258.406 2.341 10 0 CEAERO CC[NH2+][C@](C)(CCC[N@H+](C)C1CCCCC1)C(=O)[O-] ZINC000045379108 175368247 /nfs/dbraw/zinc/36/82/47/175368247.db2.gz FZGRTKUWWTVLFM-OAHLLOKOSA-N 1 0 270.417 2.484 10 0 CEAERO CCCC[NH+](CCCC)C[C@@H](NCC)C(=O)OCC ZINC000045380513 175369098 /nfs/dbraw/zinc/36/90/98/175369098.db2.gz UDGMIAPTZDKAFO-CQSZACIVSA-N 1 0 272.433 2.430 10 0 CEAERO CCOC(=O)[C@](C)(CCC[N@H+](CC)C(C)C)NC ZINC000045383816 175370756 /nfs/dbraw/zinc/37/07/56/175370756.db2.gz GNFMEQKWYBPUKY-AWEZNQCLSA-N 1 0 258.406 2.038 10 0 CEAERO CCC[N@H+](C)CCCC[C@](C)(NC1CC1)C(=O)OC ZINC000045382243 175370783 /nfs/dbraw/zinc/37/07/83/175370783.db2.gz USFQCVPOEBBIGB-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CCOC(=O)[C@](C)(CCC[N@H+](C)C1CC1)NC(C)C ZINC000045383400 175370910 /nfs/dbraw/zinc/37/09/10/175370910.db2.gz IATUUTVMVADTEI-HNNXBMFYSA-N 1 0 270.417 2.181 10 0 CEAERO CCOC(=O)[C@@](C)(CCCC[N@H+](C)C1CC1)NC1CC1 ZINC000045383253 175371524 /nfs/dbraw/zinc/37/15/24/175371524.db2.gz SUOLTYZREIAOFP-MRXNPFEDSA-N 1 0 282.428 2.325 10 0 CEAERO CCOC(=O)[C@H](C[N@H+](CC)[C@@H](C)CC)NC(C)C ZINC000045385154 175372367 /nfs/dbraw/zinc/37/23/67/175372367.db2.gz LNXWZMCHYOSLHQ-STQMWFEESA-N 1 0 258.406 2.037 10 0 CEAERO CCC[N@H+](CC)CCCC[C@](C)(NC)C(=O)OCC ZINC000045386887 175372699 /nfs/dbraw/zinc/37/26/99/175372699.db2.gz YXWWHBPIJLJUAU-HNNXBMFYSA-N 1 0 272.433 2.430 10 0 CEAERO CCC[N@H+](CCC[C@](C)(NC)C(=O)OCC)C1CC1 ZINC000045387579 175372979 /nfs/dbraw/zinc/37/29/79/175372979.db2.gz PWLLFIRDORJVKM-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CCOC(=O)[C@H](C[N@H+](C)C(CC)CC)NC(C)C ZINC000045391315 175374939 /nfs/dbraw/zinc/37/49/39/175374939.db2.gz OZRHMIRWKLSPQU-ZDUSSCGKSA-N 1 0 258.406 2.037 10 0 CEAERO COC(=O)[C@](C)(CCC[N@H+](C)[C@@H](C)C(C)C)NC1CC1 ZINC000045392205 175375971 /nfs/dbraw/zinc/37/59/71/175375971.db2.gz IXDWYZBKHCQALR-BBRMVZONSA-N 1 0 284.444 2.427 10 0 CEAERO COc1ccc(Cl)cc1C[NH2+]CCc1c[nH]cn1 ZINC000045946346 175387774 /nfs/dbraw/zinc/38/77/74/175387774.db2.gz RFUVRWNMVIDIQR-UHFFFAOYSA-N 1 0 265.744 2.404 10 0 CEAERO Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)CC2 ZINC000658243464 415278427 /nfs/dbraw/zinc/27/84/27/415278427.db2.gz DJTLNLISLJBZBZ-IUODEOHRSA-N 1 0 258.365 2.050 10 0 CEAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(C)C2)c(C)c1 ZINC000658246109 415280984 /nfs/dbraw/zinc/28/09/84/415280984.db2.gz XOWQLKZXWMEZAA-KGLIPLIRSA-N 1 0 260.381 2.432 10 0 CEAERO C[C@H](CC[NH+](C)C)N1C(=S)N=NC1c1cccnc1 ZINC000049558980 175488136 /nfs/dbraw/zinc/48/81/36/175488136.db2.gz LOGRIRKDHMQDPE-SNVBAGLBSA-N 1 0 277.397 2.142 10 0 CEAERO COc1cc([C@H](C)[NH2+]C2CC(CO)C2)ccc1F ZINC000658357196 415335205 /nfs/dbraw/zinc/33/52/05/415335205.db2.gz SVBQFCUJRLGJBS-BMQDGWLCSA-N 1 0 253.317 2.256 10 0 CEAERO COCc1csc(C(=O)N(C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000659302934 415500831 /nfs/dbraw/zinc/50/08/31/415500831.db2.gz CYOXJHNPEGEMDQ-GFCCVEGCSA-N 1 0 282.409 2.109 10 0 CEAERO Cc1cc(C)cc(CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000659346091 415534155 /nfs/dbraw/zinc/53/41/55/415534155.db2.gz ZVGRLUVTKMQMAV-GJZGRUSLSA-N 1 0 260.381 2.437 10 0 CEAERO CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)N2CCCCC2)CCO1 ZINC000070358546 175888588 /nfs/dbraw/zinc/88/85/88/175888588.db2.gz PRLUPFLRVGATNU-ZNMIVQPWSA-N 1 0 282.428 2.181 10 0 CEAERO CCC[C@@H]1C[C@@](CO)([NH2+]Cc2ccccc2)CCO1 ZINC000070371776 175898832 /nfs/dbraw/zinc/89/88/32/175898832.db2.gz RWWVNOWOMRHUAL-CVEARBPZSA-N 1 0 263.381 2.486 10 0 CEAERO C[NH2+][C@@H](COc1ccccc1)c1c(C)ccnc1N ZINC000070403378 175911751 /nfs/dbraw/zinc/91/17/51/175911751.db2.gz ADNZSLRHRMIVNN-ZDUSSCGKSA-N 1 0 257.337 2.312 10 0 CEAERO CSCCc1nc(C2([NH3+])CCCCCC2)no1 ZINC000070438567 175932775 /nfs/dbraw/zinc/93/27/75/175932775.db2.gz KADAAZJIZLDIAW-UHFFFAOYSA-N 1 0 255.387 2.483 10 0 CEAERO CC[C@@H]([NH2+]C)c1ccc(OCCOCCOC)cc1 ZINC000070480367 175952203 /nfs/dbraw/zinc/95/22/03/175952203.db2.gz HZARSZZMBFAQNU-OAHLLOKOSA-N 1 0 267.369 2.399 10 0 CEAERO COCC[NH2+]CCCCc1ccc(OC)c(OC)c1OC ZINC000070493985 175956484 /nfs/dbraw/zinc/95/64/84/175956484.db2.gz XJRDBKJEUBXBDL-UHFFFAOYSA-N 1 0 297.395 2.271 10 0 CEAERO CCC[NH2+][C@](C)(CO)CCOc1cccc(N(C)C)c1 ZINC000070516801 175965542 /nfs/dbraw/zinc/96/55/42/175965542.db2.gz XXDANKCOAQPZJT-INIZCTEOSA-N 1 0 280.412 2.272 10 0 CEAERO CCC[NH2+][C@](CO)(COc1cccc(OC)c1)C1CC1 ZINC000070518480 175966014 /nfs/dbraw/zinc/96/60/14/175966014.db2.gz JARSUZYZMYXIOT-MRXNPFEDSA-N 1 0 279.380 2.215 10 0 CEAERO C[NH2+][C@@](C)(CO)CCOc1cccc2ccc(C)nc21 ZINC000070519468 175966525 /nfs/dbraw/zinc/96/65/25/175966525.db2.gz YXTLPOMJSWCQJQ-MRXNPFEDSA-N 1 0 274.364 2.283 10 0 CEAERO C[C@@H](C[C@@](C)([NH3+])CO)Sc1nnc(C2CC2)n1C1CC1 ZINC000070520345 175966581 /nfs/dbraw/zinc/96/65/81/175966581.db2.gz KGSCCXORNYKGMV-LKFCYVNXSA-N 1 0 296.440 2.071 10 0 CEAERO O=C1c2ccccc2CCN1CCC[C@@H]1CCC[NH2+]1 ZINC000070536701 175975938 /nfs/dbraw/zinc/97/59/38/175975938.db2.gz ARXNVPGCWDJDAI-AWEZNQCLSA-N 1 0 258.365 2.217 10 0 CEAERO Cc1ccncc1NC(=O)c1ccccc1CC[NH3+] ZINC000070542382 175977572 /nfs/dbraw/zinc/97/75/72/175977572.db2.gz UGSDXJGAZHUFGM-UHFFFAOYSA-N 1 0 255.321 2.144 10 0 CEAERO C[C@@H](NC(=O)[C@H]1CCC[C@H]([NH3+])C1)c1cccs1 ZINC000070574252 175989524 /nfs/dbraw/zinc/98/95/24/175989524.db2.gz FEELOQLBIOXXAH-VWYCJHECSA-N 1 0 252.383 2.443 10 0 CEAERO COc1cc(C)ccc1NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000070575814 175991427 /nfs/dbraw/zinc/99/14/27/175991427.db2.gz UNLQFAVQSGZDHX-RYUDHWBXSA-N 1 0 262.353 2.460 10 0 CEAERO CN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1F ZINC000070578049 175993653 /nfs/dbraw/zinc/99/36/53/175993653.db2.gz VGFDRABLELDPAJ-MNOVXSKESA-N 1 0 250.317 2.306 10 0 CEAERO C[NH2+]Cc1csc(N2C[C@@H](C)S[C@@H](C)C2)n1 ZINC000070682460 176001537 /nfs/dbraw/zinc/00/15/37/176001537.db2.gz FOYDXRJFHJAZSY-DTORHVGOSA-N 1 0 257.428 2.193 10 0 CEAERO C[NH2+]Cc1ccnn1Cc1cccc(Br)c1 ZINC000070708813 176002400 /nfs/dbraw/zinc/00/24/00/176002400.db2.gz MMKGJGIAUWBTPX-UHFFFAOYSA-N 1 0 280.169 2.413 10 0 CEAERO CCCN(c1ccc(Br)cn1)[C@H]1CC[NH2+]C1 ZINC000070917508 176011428 /nfs/dbraw/zinc/01/14/28/176011428.db2.gz LDKZRCPMCRPHOV-NSHDSACASA-N 1 0 284.201 2.422 10 0 CEAERO CCN(c1ccc(Br)cn1)[C@@H]1CC[NH2+]C1 ZINC000070917467 176011592 /nfs/dbraw/zinc/01/15/92/176011592.db2.gz KGVOFNXPYHOWNQ-SNVBAGLBSA-N 1 0 270.174 2.032 10 0 CEAERO CCC[NH2+][C@H]1CCN([C@@H](C)Cc2cccs2)C1=O ZINC000070940654 176014743 /nfs/dbraw/zinc/01/47/43/176014743.db2.gz LZACRJXGKNKXOW-AAEUAGOBSA-N 1 0 266.410 2.280 10 0 CEAERO COc1cccc(C(=O)N(CC[NH3+])C2CCCC2)c1 ZINC000070943559 176016269 /nfs/dbraw/zinc/01/62/69/176016269.db2.gz SVPZLSVPTAJOKG-UHFFFAOYSA-N 1 0 262.353 2.039 10 0 CEAERO [NH3+]CCN(C(=O)c1ccc(F)c(F)c1)C1CCCC1 ZINC000070943541 176016338 /nfs/dbraw/zinc/01/63/38/176016338.db2.gz YYXMQZLUIDOKNI-UHFFFAOYSA-N 1 0 268.307 2.308 10 0 CEAERO Cc1cc([C@@H]2[C@H]([NH3+])CCC(=O)N2C2CC2)ccc1F ZINC000070987438 176018448 /nfs/dbraw/zinc/01/84/48/176018448.db2.gz JGJHLRYMKDCCFI-UKRRQHHQSA-N 1 0 262.328 2.287 10 0 CEAERO CCc1ccc([C@H]2[C@@H]([NH3+])CCC(=O)N2C2CC2)s1 ZINC000070987208 176018650 /nfs/dbraw/zinc/01/86/50/176018650.db2.gz JNHBMTKHOWVMHI-SMDDNHRTSA-N 1 0 264.394 2.464 10 0 CEAERO CC(C)[NH2+][C@H]1CCN([C@H](C)Cc2ccccc2)C1=O ZINC000071031338 176022591 /nfs/dbraw/zinc/02/25/91/176022591.db2.gz NNMQEPMCWYPNDT-HIFRSBDPSA-N 1 0 260.381 2.217 10 0 CEAERO CCC[NH2+][C@H]1CCCN(CCc2ccsc2)C1=O ZINC000071032282 176023429 /nfs/dbraw/zinc/02/34/29/176023429.db2.gz RXGKRNHOZUAHDK-ZDUSSCGKSA-N 1 0 266.410 2.281 10 0 CEAERO Cc1ccc(CN2CCC[C@H]([NH2+]C3CC3)C2=O)cc1 ZINC000071033088 176023559 /nfs/dbraw/zinc/02/35/59/176023559.db2.gz QKOJMJOEBOTUDE-HNNXBMFYSA-N 1 0 258.365 2.238 10 0 CEAERO C[NH2+][C@H]1CCCN([C@H](C)CCc2ccccc2)C1=O ZINC000071035104 176024760 /nfs/dbraw/zinc/02/47/60/176024760.db2.gz DCDTTZPXISRRJD-HIFRSBDPSA-N 1 0 260.381 2.218 10 0 CEAERO CC(C)[NH2+][C@H]1CCN([C@@H](C)Cc2ccsc2)C1=O ZINC000071035400 176025536 /nfs/dbraw/zinc/02/55/36/176025536.db2.gz YISUKLLPLUWVQX-AAEUAGOBSA-N 1 0 266.410 2.278 10 0 CEAERO C[NH2+][C@H]1CCCN(Cc2cccc(Br)c2)C1=O ZINC000071037503 176026388 /nfs/dbraw/zinc/02/63/88/176026388.db2.gz NGPQVMUBGUYLSU-LBPRGKRZSA-N 1 0 297.196 2.160 10 0 CEAERO CC[NH2+][C@H]1CCN(c2ccc(Cl)cc2C)C1=O ZINC000071038583 176027109 /nfs/dbraw/zinc/02/71/09/176027109.db2.gz UDXWGIKWUNFIQJ-NSHDSACASA-N 1 0 252.745 2.363 10 0 CEAERO CCC[NH2+][C@@H]1CCCN([C@H](C)c2cccnc2)C1=O ZINC000071040060 176027111 /nfs/dbraw/zinc/02/71/11/176027111.db2.gz ZTAZKJJBYGLLJG-TZMCWYRMSA-N 1 0 261.369 2.133 10 0 CEAERO CC(C)[NH2+][C@@H]1CCCN(Cc2cccc(F)c2)C1=O ZINC000071039028 176027153 /nfs/dbraw/zinc/02/71/53/176027153.db2.gz POVRXDCWOZDWRX-CQSZACIVSA-N 1 0 264.344 2.315 10 0 CEAERO CC(C)[NH2+][C@H]1CCCN(CCc2ccc(F)cc2)C1=O ZINC000071038168 176027442 /nfs/dbraw/zinc/02/74/42/176027442.db2.gz YVYMFXREPOWSHJ-HNNXBMFYSA-N 1 0 278.371 2.357 10 0 CEAERO C[NH2+][C@@H]1CCCN([C@@H]2CCCc3sccc32)C1=O ZINC000071042762 176029289 /nfs/dbraw/zinc/02/92/89/176029289.db2.gz CNSVALSSPGXLHV-VXGBXAGGSA-N 1 0 264.394 2.336 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCCN1Cc1cc(F)ccc1F ZINC000071043750 176029633 /nfs/dbraw/zinc/02/96/33/176029633.db2.gz QTFTWMKLHUNMHX-AWEZNQCLSA-N 1 0 280.318 2.208 10 0 CEAERO CC(C)[NH2+][C@H]1CCCN([C@@H]2COc3ccccc32)C1=O ZINC000071044278 176029803 /nfs/dbraw/zinc/02/98/03/176029803.db2.gz JNLGUVVTSZCGDH-UONOGXRCSA-N 1 0 274.364 2.109 10 0 CEAERO CC[C@@H]([NH3+])Cc1cnn(C[C@@H]2OCCc3ccccc32)c1 ZINC000071099199 176033033 /nfs/dbraw/zinc/03/30/33/176033033.db2.gz RBHVMVCITUYREQ-WBVHZDCISA-N 1 0 285.391 2.477 10 0 CEAERO CC[C@H]1CCC[C@](NCC[NH+](CC)CC)(C(=O)OC)C1 ZINC000071125749 176035952 /nfs/dbraw/zinc/03/59/52/176035952.db2.gz OVVOSZDPKQOGQI-GOEBONIOSA-N 1 0 284.444 2.430 10 0 CEAERO Cc1noc(C)c1C[NH2+][C@]1(CO)CCC[C@H](C)C1 ZINC000071137723 176036403 /nfs/dbraw/zinc/03/64/03/176036403.db2.gz GFIWVNPTHAIZOL-IINYFYTJSA-N 1 0 252.358 2.322 10 0 CEAERO COCCC[NH2+]C[C@@H](C)Oc1cc(OC)cc(OC)c1 ZINC000071137811 176036405 /nfs/dbraw/zinc/03/64/05/176036405.db2.gz DISSMHXHMPCJKU-GFCCVEGCSA-N 1 0 283.368 2.097 10 0 CEAERO COCC[NH2+]CCCCOc1cc(F)ccc1F ZINC000071168910 176050114 /nfs/dbraw/zinc/05/01/14/176050114.db2.gz RFHMNFDYRUYGKG-UHFFFAOYSA-N 1 0 259.296 2.360 10 0 CEAERO CCC(CC)(C[NH3+])Nc1cncc(OC(C)C)n1 ZINC000071176313 176055030 /nfs/dbraw/zinc/05/50/30/176055030.db2.gz CMMYGOBYLPXJKV-UHFFFAOYSA-N 1 0 252.362 2.193 10 0 CEAERO CCOc1cncc(N[C@@]2(C[NH3+])CCC[C@@H](C)C2)n1 ZINC000071177484 176055403 /nfs/dbraw/zinc/05/54/03/176055403.db2.gz KKTLPGWZOHSCHH-RISCZKNCSA-N 1 0 264.373 2.195 10 0 CEAERO CN(C[C@H]1CC[N@H+](C)C1)c1cccc(Cl)c1CO ZINC000071189641 176065489 /nfs/dbraw/zinc/06/54/89/176065489.db2.gz OZXWWSIAOMLJJK-NSHDSACASA-N 1 0 268.788 2.220 10 0 CEAERO CC[C@H]1CC[C@@H](C(=O)[O-])[C@H]([N@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071192712 176074777 /nfs/dbraw/zinc/07/47/77/176074777.db2.gz JNMHNXBGLLVAHU-GBJTYRQASA-N 1 0 282.428 2.149 10 0 CEAERO CC(=O)c1sc(N(C)C[C@H]2CC[N@H+](C)C2)nc1C ZINC000071192487 176074868 /nfs/dbraw/zinc/07/48/68/176074868.db2.gz LTJRGOYJGZRMIQ-NSHDSACASA-N 1 0 267.398 2.042 10 0 CEAERO CNc1ccc(Cl)cc1C(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000071193184 176075554 /nfs/dbraw/zinc/07/55/54/176075554.db2.gz TUSDPMZWBDPTOM-NSHDSACASA-N 1 0 295.814 2.405 10 0 CEAERO Cc1noc2ncnc(Nc3cccc(OCC[NH3+])c3)c12 ZINC000071194744 176075900 /nfs/dbraw/zinc/07/59/00/176075900.db2.gz RVLXZJNXIHICLZ-UHFFFAOYSA-N 1 0 285.307 2.007 10 0 CEAERO Fc1ccc(N2CC[C@@H]([NH2+]C3CC3)C2)c(F)c1F ZINC000071198024 176076756 /nfs/dbraw/zinc/07/67/56/176076756.db2.gz CCSJHZAPWVQBHB-SECBINFHSA-N 1 0 256.271 2.435 10 0 CEAERO CCOC(=O)c1ncsc1N[C@@H]1CCC[N@H+](CC)C1 ZINC000071202029 176078116 /nfs/dbraw/zinc/07/81/16/176078116.db2.gz BKVCPAWAFZWWQG-SNVBAGLBSA-N 1 0 283.397 2.216 10 0 CEAERO COc1nc(N(C)C)sc1C[NH2+][C@@H]1CCC[C@H]1C ZINC000071206400 176079941 /nfs/dbraw/zinc/07/99/41/176079941.db2.gz ILBFCSMBMFZPOG-NXEZZACHSA-N 1 0 269.414 2.496 10 0 CEAERO COCCN(CCC[NH3+])C(=O)c1cccc2ccccc21 ZINC000071222854 176088098 /nfs/dbraw/zinc/08/80/98/176088098.db2.gz CGWYGJRFMFCQIL-UHFFFAOYSA-N 1 0 286.375 2.277 10 0 CEAERO C[C@@H](Cn1ccnc1)N1Cc2ccc(F)cc2C1=[NH2+] ZINC000071268928 176102612 /nfs/dbraw/zinc/10/26/12/176102612.db2.gz QPFYONOXVLEXJW-JTQLQIEISA-N 1 0 258.300 2.252 10 0 CEAERO CCOc1cc2c(cc1C[NH2+]C[C@H](O)C1CC1)O[C@@H](C)C2 ZINC000071277918 176107703 /nfs/dbraw/zinc/10/77/03/176107703.db2.gz NSYSJTIAMFZRPP-NHYWBVRUSA-N 1 0 291.391 2.269 10 0 CEAERO CCN(C(=O)Cc1ccccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000071312598 176119293 /nfs/dbraw/zinc/11/92/93/176119293.db2.gz LFULVTLBMWDRQO-GFCCVEGCSA-N 1 0 266.772 2.093 10 0 CEAERO CCN(Cc1noc(-c2cccc(C)c2)n1)[C@H]1CC[NH2+]C1 ZINC000071313357 176119613 /nfs/dbraw/zinc/11/96/13/176119613.db2.gz SGMWHYDOFYZHNR-AWEZNQCLSA-N 1 0 286.379 2.229 10 0 CEAERO CCN(Cc1noc(-c2ccc(F)cc2)n1)[C@@H]1CC[NH2+]C1 ZINC000071312984 176119767 /nfs/dbraw/zinc/11/97/67/176119767.db2.gz FFFPGQSERQIBKC-CYBMUJFWSA-N 1 0 290.342 2.060 10 0 CEAERO CCCN(CC(=O)NCCC1=CCCCC1)[C@H]1CC[NH2+]C1 ZINC000071331534 176125171 /nfs/dbraw/zinc/12/51/71/176125171.db2.gz XKOYRFVRKRWYCM-INIZCTEOSA-N 1 0 293.455 2.067 10 0 CEAERO CCCN(c1ccc(C(N)=O)c(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000071332381 176125518 /nfs/dbraw/zinc/12/55/18/176125518.db2.gz QUIMFEBVYBCMBA-LLVKDONJSA-N 1 0 281.787 2.017 10 0 CEAERO CCCN(c1ccc(Cl)cc1C(N)=O)[C@H]1CC[NH2+]C1 ZINC000071332584 176125654 /nfs/dbraw/zinc/12/56/54/176125654.db2.gz RCKJLXIBIPXYHJ-NSHDSACASA-N 1 0 281.787 2.017 10 0 CEAERO CC(C)Cc1ccc([C@H](O)C[NH2+]Cc2ccnn2C)cc1 ZINC000071334256 176126676 /nfs/dbraw/zinc/12/66/76/176126676.db2.gz HOLYTRAEVFVRSU-QGZVFWFLSA-N 1 0 287.407 2.442 10 0 CEAERO C[C@H]1CCC[NH2+][C@H]1CNC(=O)c1ccc(F)c(F)c1 ZINC000071338659 176128930 /nfs/dbraw/zinc/12/89/30/176128930.db2.gz WQVJZZWYMPSOPX-ZANVPECISA-N 1 0 268.307 2.083 10 0 CEAERO C[C@@H]1CCC[NH2+][C@H]1CNC(=O)c1cc(F)ccc1F ZINC000071338690 176128964 /nfs/dbraw/zinc/12/89/64/176128964.db2.gz SBGGVPFPCGASHC-RNCFNFMXSA-N 1 0 268.307 2.083 10 0 CEAERO COc1cc(C(=O)NC[C@@H]2[NH2+]CCC[C@H]2C)ccc1C ZINC000071338669 176129163 /nfs/dbraw/zinc/12/91/63/176129163.db2.gz SGEDVUFGNASYTC-RISCZKNCSA-N 1 0 276.380 2.122 10 0 CEAERO CCC[C@@H]1C[NH2+][C@H](CC(C)C)CN1CCOCCOC ZINC000071350386 176134317 /nfs/dbraw/zinc/13/43/17/176134317.db2.gz YXGZLFGBPQHXJT-HZPDHXFCSA-N 1 0 286.460 2.138 10 0 CEAERO C[C@H]1CCC[C@H]([N@H+](C)CCCn2ccc(N)n2)C1 ZINC000071352218 176135075 /nfs/dbraw/zinc/13/50/75/176135075.db2.gz GQJZUYWDVFQAKB-STQMWFEESA-N 1 0 250.390 2.366 10 0 CEAERO CC[C@H](C)[C@H]1CN(CCn2ccnc2C)[C@@H](CC)C[NH2+]1 ZINC000071354141 176136187 /nfs/dbraw/zinc/13/61/87/176136187.db2.gz GEVMTWIHMKLMBJ-CWRNSKLLSA-N 1 0 278.444 2.290 10 0 CEAERO CC[C@]1(C)C[N@H+](CCn2ccnc2C)[C@H](C(C)C)CN1 ZINC000071356972 176136957 /nfs/dbraw/zinc/13/69/57/176136957.db2.gz LCBAUKKCDFOJSX-JKSUJKDBSA-N 1 0 278.444 2.290 10 0 CEAERO CC[C@@]1(C)C[N@H+](CCn2ccnc2C)[C@@](C)(C2CC2)CN1 ZINC000071358093 176137341 /nfs/dbraw/zinc/13/73/41/176137341.db2.gz YWRONTJWPLVIKD-DLBZAZTESA-N 1 0 290.455 2.434 10 0 CEAERO CC[N@H+](CCn1ccc(N)n1)Cc1ccccc1C ZINC000071377931 176142873 /nfs/dbraw/zinc/14/28/73/176142873.db2.gz WGQDCAIAEWTNGH-UHFFFAOYSA-N 1 0 258.369 2.296 10 0 CEAERO Nc1ccn(CC[N@@H+]2CCC[C@H]2c2ccccc2)n1 ZINC000071377913 176142977 /nfs/dbraw/zinc/14/29/77/176142977.db2.gz YXQKNYWNWQGQGI-AWEZNQCLSA-N 1 0 256.353 2.302 10 0 CEAERO Nc1ccc(C(=O)NCCC[NH+]2CCCC2)cc1Cl ZINC000071395111 176149889 /nfs/dbraw/zinc/14/98/89/176149889.db2.gz JSWWTMHMGGMBGL-UHFFFAOYSA-N 1 0 281.787 2.138 10 0 CEAERO Fc1cccc(F)c1-c1nc([C@H]2CCC[NH2+]2)no1 ZINC000071396517 176150184 /nfs/dbraw/zinc/15/01/84/176150184.db2.gz SPMNRZGOKQTXDK-SECBINFHSA-N 1 0 251.236 2.439 10 0 CEAERO CCOC(=O)[C@@H](C)Oc1ccc(C[NH3+])cc1C(F)(F)F ZINC000071398303 176151751 /nfs/dbraw/zinc/15/17/51/176151751.db2.gz FNYYVKKKPJZZLS-MRVPVSSYSA-N 1 0 291.269 2.495 10 0 CEAERO C[C@@H](NC(=O)CC[C@H]([NH3+])c1ccccc1)[C@@H]1CCCO1 ZINC000071400442 176152727 /nfs/dbraw/zinc/15/27/27/176152727.db2.gz XIWZEWRSASWBFA-SNPRPXQTSA-N 1 0 276.380 2.150 10 0 CEAERO [NH3+][C@@H](CCC(=O)N1CCC[C@@H]1CCCO)c1ccccc1 ZINC000071401416 176153334 /nfs/dbraw/zinc/15/33/34/176153334.db2.gz JZNMZPXATSSHFQ-CVEARBPZSA-N 1 0 290.407 2.230 10 0 CEAERO CC[NH2+]Cc1cc(C)ccc1OCCC(=O)NC(C)C ZINC000071403894 176155321 /nfs/dbraw/zinc/15/53/21/176155321.db2.gz ZJERWANUNSJDBL-UHFFFAOYSA-N 1 0 278.396 2.398 10 0 CEAERO CCOC(=O)COc1ccc(C)cc1C[NH2+]C1CC1 ZINC000071406966 176156108 /nfs/dbraw/zinc/15/61/08/176156108.db2.gz QKJJSIRHINLVIV-UHFFFAOYSA-N 1 0 263.337 2.189 10 0 CEAERO CC[C@H]([NH3+])Cc1cc(C)ccc1O[C@H](C)C(=O)N(C)C ZINC000071412103 176157523 /nfs/dbraw/zinc/15/75/23/176157523.db2.gz SACJRBOGDJOYLU-OCCSQVGLSA-N 1 0 278.396 2.130 10 0 CEAERO C[NH+](C)Cc1c(C(=O)N2CCCCC2)nc2ccccn21 ZINC000071553691 176197009 /nfs/dbraw/zinc/19/70/09/176197009.db2.gz KTGDIZOLQMIUIE-UHFFFAOYSA-N 1 0 286.379 2.022 10 0 CEAERO COc1ccc(Cl)cc1C[C@@]1(O)CCC[NH2+]C1 ZINC000071576859 176205013 /nfs/dbraw/zinc/20/50/13/176205013.db2.gz RCVHFFCHSPDJPF-ZDUSSCGKSA-N 1 0 255.745 2.006 10 0 CEAERO COc1ccc(C[C@H](O)C[NH2+]C(C)C)cc1Cl ZINC000071583204 176208441 /nfs/dbraw/zinc/20/84/41/176208441.db2.gz KSXBMJOPJFJSAQ-NSHDSACASA-N 1 0 257.761 2.250 10 0 CEAERO CCOc1ccc(Cn2cc(CC[NH3+])nc2C)cc1 ZINC000071585422 176210929 /nfs/dbraw/zinc/21/09/29/176210929.db2.gz RXEAUESLCGUVGD-UHFFFAOYSA-N 1 0 259.353 2.140 10 0 CEAERO CCOc1ccc(CCCN2CCC[NH2+]CC2)cc1 ZINC000071589142 176217438 /nfs/dbraw/zinc/21/74/38/176217438.db2.gz RIWGWCGZSXZQMD-UHFFFAOYSA-N 1 0 262.397 2.313 10 0 CEAERO COc1cc([C@H](O)[C@@H](C)[NH2+]C(C)C)c(OC)cc1C ZINC000071599189 176223487 /nfs/dbraw/zinc/22/34/87/176223487.db2.gz LBPOHGQHJRELGZ-IAQYHMDHSA-N 1 0 267.369 2.432 10 0 CEAERO CC(C)(C)OC(=O)NC[C@@H]([NH3+])c1ccc(F)c(F)c1 ZINC000071611710 176231819 /nfs/dbraw/zinc/23/18/19/176231819.db2.gz RXYLRTQMMIQLIB-LLVKDONJSA-N 1 0 272.295 2.489 10 0 CEAERO Cc1nn(-c2nc3ccccc3[nH]2)c(C)c1[C@@H](C)[NH3+] ZINC000072415728 176399607 /nfs/dbraw/zinc/39/96/07/176399607.db2.gz VUAZFJYBHIDIHR-MRVPVSSYSA-N 1 0 255.325 2.385 10 0 CEAERO C[C@@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000662446741 415847351 /nfs/dbraw/zinc/84/73/51/415847351.db2.gz PAVVQZSAMPTLOF-HLUHBDAQSA-N 1 0 252.745 2.255 10 0 CEAERO C[C@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)c1ccccc1Cl ZINC000662444926 415847381 /nfs/dbraw/zinc/84/73/81/415847381.db2.gz KXNRUHZNCHUGBH-GUBZILKMSA-N 1 0 252.745 2.255 10 0 CEAERO Cc1cc(C)nc(N2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000656607686 415783619 /nfs/dbraw/zinc/78/36/19/415783619.db2.gz FESJVTWCKBHFFB-HNNXBMFYSA-N 1 0 274.412 2.309 10 0 CEAERO Cc1cnc(C)c(N2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000656608944 415784230 /nfs/dbraw/zinc/78/42/30/415784230.db2.gz OVSFAYXFSYUPRJ-OAHLLOKOSA-N 1 0 274.412 2.309 10 0 CEAERO Clc1cncnc1N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656609203 415785377 /nfs/dbraw/zinc/78/53/77/415785377.db2.gz RCRRVLLKOZJVGV-LBPRGKRZSA-N 1 0 280.803 2.346 10 0 CEAERO CCS(=O)(=O)c1ccc(NCC2([NH3+])CCCC2)cc1 ZINC000656610429 415787345 /nfs/dbraw/zinc/78/73/45/415787345.db2.gz FRDCKLOXVBQZGM-UHFFFAOYSA-N 1 0 282.409 2.164 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@H]1CCCC2(CC2)C1 ZINC000662560842 415886321 /nfs/dbraw/zinc/88/63/21/415886321.db2.gz IDMCFCSMXUDFEG-RWMBFGLXSA-N 1 0 250.386 2.214 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)N1CCC[C@@H](C2CCC2)C1 ZINC000662716487 415942368 /nfs/dbraw/zinc/94/23/68/415942368.db2.gz UEFWNALKMQWJTM-ZIAGYGMSSA-N 1 0 252.402 2.399 10 0 CEAERO C[C@@]1(C(=O)N2CCC[C@@H](CCF)C2)CCCC[NH2+]1 ZINC000662689751 415930601 /nfs/dbraw/zinc/93/06/01/415930601.db2.gz XGIAHTXKNFJWAL-JSGCOSHPSA-N 1 0 256.365 2.117 10 0 CEAERO CCCS(=O)(=O)[C@@H](C)[C@H]([NH3+])c1ccc(CC)cc1 ZINC000075418368 176698963 /nfs/dbraw/zinc/69/89/63/176698963.db2.gz LZSBYNAEWPDLLR-FZMZJTMJSA-N 1 0 269.410 2.462 10 0 CEAERO COc1cc([C@H](C[NH3+])N(C)C(C)C)c(OC)cc1C ZINC000076375193 177010720 /nfs/dbraw/zinc/01/07/20/177010720.db2.gz GPIZKHKKSJZHRV-ZDUSSCGKSA-N 1 0 266.385 2.352 10 0 CEAERO [NH3+]CCN(Cc1ccncc1)Cc1ccccc1F ZINC000076668731 177052477 /nfs/dbraw/zinc/05/24/77/177052477.db2.gz VWZSQQYULREUQN-UHFFFAOYSA-N 1 0 259.328 2.182 10 0 CEAERO CCN(C[C@H](C[NH3+])N1CCCCC1)c1ccccc1 ZINC000076673477 177055341 /nfs/dbraw/zinc/05/53/41/177055341.db2.gz AMHIRVUQSCQKNB-INIZCTEOSA-N 1 0 261.413 2.326 10 0 CEAERO CC[NH2+]Cc1cn2cc(Br)ccc2n1 ZINC000076790283 177096139 /nfs/dbraw/zinc/09/61/39/177096139.db2.gz DFQWFWYHWZWHGA-UHFFFAOYSA-N 1 0 254.131 2.206 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H]1CC=CCC1 ZINC000077570012 177281656 /nfs/dbraw/zinc/28/16/56/177281656.db2.gz BXPZSWKBXMJLAP-UONOGXRCSA-N 1 0 267.417 2.371 10 0 CEAERO C[N@H+](CC(=O)N(C1=CCCCC1)C1CC1)CC(C)(C)O ZINC000078779312 177387477 /nfs/dbraw/zinc/38/74/77/177387477.db2.gz AFXCNVHEJHPACS-UHFFFAOYSA-N 1 0 280.412 2.138 10 0 CEAERO Cc1cccnc1-c1noc(CC[C@@H](C)CC[NH3+])n1 ZINC000079069058 177426630 /nfs/dbraw/zinc/42/66/30/177426630.db2.gz WLGGHFKYLXGKRT-SNVBAGLBSA-N 1 0 260.341 2.358 10 0 CEAERO CCOc1ncccc1NC(=O)CC[C@H](C)CC[NH3+] ZINC000079117619 177435903 /nfs/dbraw/zinc/43/59/03/177435903.db2.gz SKMHZFIGPVIBJR-NSHDSACASA-N 1 0 265.357 2.184 10 0 CEAERO CCOC1CCN(C(=O)CC[C@H](CC)CC[NH3+])CC1 ZINC000079211775 177447643 /nfs/dbraw/zinc/44/76/43/177447643.db2.gz OCOSSNXEQXOQPU-ZDUSSCGKSA-N 1 0 270.417 2.169 10 0 CEAERO CCC[C@H](CC[NH3+])CCC(=O)NCCc1ccncc1 ZINC000079237880 177453424 /nfs/dbraw/zinc/45/34/24/177453424.db2.gz JFCOREIHROIHCD-AWEZNQCLSA-N 1 0 277.412 2.286 10 0 CEAERO C[C@H](Cc1cccs1)NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+] ZINC000079526880 177515900 /nfs/dbraw/zinc/51/59/00/177515900.db2.gz CDLXYEOKUYFLPU-FQEAEBOJSA-N 1 0 278.421 2.169 10 0 CEAERO COc1ccc(NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])c(C)c1 ZINC000079535216 177517629 /nfs/dbraw/zinc/51/76/29/177517629.db2.gz VCDBRNGVBZVGJN-BVIHXZOGSA-N 1 0 274.364 2.316 10 0 CEAERO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](CCC)COC ZINC000079744729 177549575 /nfs/dbraw/zinc/54/95/75/177549575.db2.gz IQRYRSYBRMJYQS-AVGNSLFASA-N 1 0 258.406 2.084 10 0 CEAERO COc1ccccc1NC(=O)NC1(C(N)=[NH2+])CCCC1 ZINC000079777971 177557049 /nfs/dbraw/zinc/55/70/49/177557049.db2.gz VRVNXWKKJYRJHY-UHFFFAOYSA-N 1 0 276.340 2.065 10 0 CEAERO [NH3+]C[C@H]1CCO[C@H]1c1cc(Cl)c2c(c1)OCCO2 ZINC000079898680 177578364 /nfs/dbraw/zinc/57/83/64/177578364.db2.gz NCSIUHWKUJYVOY-PRHODGIISA-N 1 0 269.728 2.148 10 0 CEAERO CCC[NH2+][C@H]1CCC2(C[C@H]1n1ccc(C)n1)OCCO2 ZINC000079985011 177592233 /nfs/dbraw/zinc/59/22/33/177592233.db2.gz UOOVRSUPYZWZPE-UONOGXRCSA-N 1 0 279.384 2.028 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N[C@@H]1C(C)(C)[C@H]2CC[C@]1(C)C2 ZINC000080151280 177615271 /nfs/dbraw/zinc/61/52/71/177615271.db2.gz NLBPCIDSOSQQFE-FIXISWKDSA-N 1 0 252.402 2.315 10 0 CEAERO CCC[NH2+][C@@H](C)[C@@H]1CCCN(S(=O)(=O)CC(C)C)C1 ZINC000080185095 177620320 /nfs/dbraw/zinc/62/03/20/177620320.db2.gz NHDBHSGDJJVGAX-UONOGXRCSA-N 1 0 290.473 2.072 10 0 CEAERO CCc1cc(N(C)CC[C@@H]([NH3+])C(C)C)nc(C)n1 ZINC000133623937 419430427 /nfs/dbraw/zinc/43/04/27/419430427.db2.gz DGRDUKMVZTZGGI-CYBMUJFWSA-N 1 0 250.390 2.157 10 0 CEAERO CCOc1cc(NC(=O)C[C@H]([NH3+])C(C)C)ccc1OC ZINC000136358973 419443409 /nfs/dbraw/zinc/44/34/09/419443409.db2.gz KMFOWCOUUOSARO-LBPRGKRZSA-N 1 0 280.368 2.406 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)Cc1ccc(F)c(F)c1 ZINC000136385693 419447438 /nfs/dbraw/zinc/44/74/38/419447438.db2.gz GTNNLGNLIWWKHB-ZDUSSCGKSA-N 1 0 270.323 2.297 10 0 CEAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC000392918683 270341531 /nfs/dbraw/zinc/34/15/31/270341531.db2.gz HOCAXXXBDXMTLI-DGCLKSJQSA-N 1 0 252.402 2.460 10 0 CEAERO CCCN(CCC[NH+](C)C)C(=O)N[C@H](C)C(C)C ZINC000188445924 262297087 /nfs/dbraw/zinc/29/70/87/262297087.db2.gz ZGKUICNQIINKDB-CYBMUJFWSA-N 1 0 257.422 2.404 10 0 CEAERO Cc1cccc(C(=O)Nc2ccc(OCC[NH3+])cc2)c1O ZINC000036987850 270225428 /nfs/dbraw/zinc/22/54/28/270225428.db2.gz DGOFBSIMGZLSIZ-UHFFFAOYSA-N 1 0 286.331 2.290 10 0 CEAERO O[C@@H](C[NH2+]CCc1cccs1)COCc1ccco1 ZINC000037880276 270226077 /nfs/dbraw/zinc/22/60/77/270226077.db2.gz ITURUIKWRSBJLB-LBPRGKRZSA-N 1 0 281.377 2.051 10 0 CEAERO CC/C=C/CC[N@@H+]1CCN(CCOC)[C@H](CC)C1 ZINC000184520612 270243617 /nfs/dbraw/zinc/24/36/17/270243617.db2.gz IOEVOKZQGFTGKO-LQYUOIDQSA-N 1 0 254.418 2.385 10 0 CEAERO Cc1c([C@H](C)[NH2+]C[C@H](C)N2CCOCC2)cnn1C(C)C ZINC000191145200 270272009 /nfs/dbraw/zinc/27/20/09/270272009.db2.gz LKBRKFKJPJQWSE-KBPBESRZSA-N 1 0 294.443 2.144 10 0 CEAERO CSCC1CCC([NH2+][C@@H]2CCC(=O)N[C@@H]2C)CC1 ZINC000392887433 270341453 /nfs/dbraw/zinc/34/14/53/270341453.db2.gz LRZXHZKZXPBOPR-IKWCTNDRSA-N 1 0 270.442 2.165 10 0 CEAERO CCCCOC[C@H](O)C[N@H+]1C[C@@H](CC)O[C@@H](CC)C1 ZINC000398692096 270360931 /nfs/dbraw/zinc/36/09/31/270360931.db2.gz SHGMJYRAXAPXNB-KFWWJZLASA-N 1 0 273.417 2.053 10 0 CEAERO COc1cccc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)c1 ZINC000398760707 270363325 /nfs/dbraw/zinc/36/33/25/270363325.db2.gz BWUDQUTWYUQNLC-SOUVJXGZSA-N 1 0 261.365 2.288 10 0 CEAERO COCC(C)(C)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000426408711 271220587 /nfs/dbraw/zinc/22/05/87/271220587.db2.gz CAOJBHUIOZKRRS-HIFRSBDPSA-N 1 0 255.402 2.286 10 0 CEAERO CC1(C)CN(C(=O)[C@@H]2CSc3ccccc32)CC[C@H]1[NH3+] ZINC000261843275 273583056 /nfs/dbraw/zinc/58/30/56/273583056.db2.gz VZEDJLFGDHAFOT-TZMCWYRMSA-N 1 0 290.432 2.462 10 0 CEAERO CNc1nc2ccccc2nc1N[C@H]1CCCC[C@@H]1[NH3+] ZINC000095071383 273976332 /nfs/dbraw/zinc/97/63/32/273976332.db2.gz APJSGMRXQRLAEM-QWRGUYRKSA-N 1 0 271.368 2.353 10 0 CEAERO C[C@@H]([NH3+])[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000127308942 274239494 /nfs/dbraw/zinc/23/94/94/274239494.db2.gz UPTIMINVGPPGMO-RKDXNWHRSA-N 1 0 259.275 2.274 10 0 CEAERO Clc1nc2ccccc2nc1N1CCC[NH2+]CC1 ZINC000003716218 274885429 /nfs/dbraw/zinc/88/54/29/274885429.db2.gz WOPUQFBJGGNKRH-UHFFFAOYSA-N 1 0 262.744 2.083 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(c3cncc(Br)c3)C[C@H]12 ZINC000261584591 274959347 /nfs/dbraw/zinc/95/93/47/274959347.db2.gz PZPDQKPQTOJSTF-JFUSQASVSA-N 1 0 282.185 2.018 10 0 CEAERO [NH3+][C@H]1CCCc2ccc(Br)cc2[C@@H]1O ZINC000019795575 274962906 /nfs/dbraw/zinc/96/29/06/274962906.db2.gz LJJQRMGJXRGYMM-QWRGUYRKSA-N 1 0 256.143 2.146 10 0 CEAERO Brc1ccc(N2CC[C@H]3[NH2+]CC[C@H]3C2)nc1 ZINC000261593365 275369843 /nfs/dbraw/zinc/36/98/43/275369843.db2.gz WSGKUICVJRINNV-GXSJLCMTSA-N 1 0 282.185 2.032 10 0 CEAERO Brc1cnccc1N1CCC2(C1)CC[NH2+]CC2 ZINC000335304241 275377762 /nfs/dbraw/zinc/37/77/62/275377762.db2.gz ZSLXNYMHLHCLFS-UHFFFAOYSA-N 1 0 296.212 2.424 10 0 CEAERO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](O)C(F)(F)F ZINC000186390024 275592426 /nfs/dbraw/zinc/59/24/26/275592426.db2.gz HSFSWBOZTPWEAB-VWYCJHECSA-N 1 0 269.307 2.093 10 0 CEAERO CC(C)OCCNC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000185268769 275659740 /nfs/dbraw/zinc/65/97/40/275659740.db2.gz NOOWWPZDRZIWPH-OAHLLOKOSA-N 1 0 293.411 2.014 10 0 CEAERO CC(C)[C@H]([NH3+])C(=O)N1Cc2ccccc2C(C)(C)C1 ZINC000262584178 275702433 /nfs/dbraw/zinc/70/24/33/275702433.db2.gz RSCGVVJSJTWRSR-AWEZNQCLSA-N 1 0 260.381 2.290 10 0 CEAERO CC(C)(C)OC(=O)N1C[C@@H](C2CC2)[NH2+]C[C@@H]1C1CC1 ZINC000071372361 275827106 /nfs/dbraw/zinc/82/71/06/275827106.db2.gz LJTPAFSSEODCRE-QWHCGFSZSA-N 1 0 266.385 2.384 10 0 CEAERO CC(C)(C)OC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000083693725 275828862 /nfs/dbraw/zinc/82/88/62/275828862.db2.gz QVYKNCRSCRVYBA-CYBMUJFWSA-N 1 0 262.353 2.398 10 0 CEAERO CC1(C)CN(c2ncccc2Br)CC[C@@H]1[NH3+] ZINC000261578640 276137038 /nfs/dbraw/zinc/13/70/38/276137038.db2.gz LWQHEQDXZNPFMO-JTQLQIEISA-N 1 0 284.201 2.408 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C[C@@H](O)c1ccccc1 ZINC000223330775 276169872 /nfs/dbraw/zinc/16/98/72/276169872.db2.gz MDVWLZDKSIIXAJ-HZPDHXFCSA-N 1 0 262.397 2.136 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000037413644 276270983 /nfs/dbraw/zinc/27/09/83/276270983.db2.gz FPRCDSAQQAZYNJ-SNVBAGLBSA-N 1 0 264.325 2.260 10 0 CEAERO CC[NH+](CC)CCCN1CCC(c2ccnn2C)CC1 ZINC000191469075 276324295 /nfs/dbraw/zinc/32/42/95/276324295.db2.gz FMUXTFZXSRJUNX-UHFFFAOYSA-N 1 0 278.444 2.331 10 0 CEAERO CCOc1ccc(OCCN2CCCC[C@@H]2C[NH3+])cc1 ZINC000044557726 276375487 /nfs/dbraw/zinc/37/54/87/276375487.db2.gz GLUQMIXDUBGVTB-CQSZACIVSA-N 1 0 278.396 2.277 10 0 CEAERO C[NH+](C)C[C@@H]1CN([C@@H]2CCc3ccc(F)cc32)CCO1 ZINC000177713580 276766456 /nfs/dbraw/zinc/76/64/56/276766456.db2.gz IUTUQVPCFWNIOK-GDBMZVCRSA-N 1 0 278.371 2.075 10 0 CEAERO C1C[C@@H]([NH2+]C2CCCCC2)[C@H]([C@H]2COCCN2)C1 ZINC000261918329 276852514 /nfs/dbraw/zinc/85/25/14/276852514.db2.gz JXXHLSPEDWPDEU-RBSFLKMASA-N 1 0 252.402 2.066 10 0 CEAERO CN(C[C@@H]1CCC[NH2+]1)c1ccc(Br)cn1 ZINC000095070924 276967192 /nfs/dbraw/zinc/96/71/92/276967192.db2.gz NRGDEFUXCDKUKM-JTQLQIEISA-N 1 0 270.174 2.032 10 0 CEAERO CN1CCO[C@H](C[NH2+]C2CCC3(CCCC3)CC2)C1 ZINC000129432261 277127687 /nfs/dbraw/zinc/12/76/87/277127687.db2.gz OMQBBCTXTKJEHP-OAHLLOKOSA-N 1 0 266.429 2.410 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)[C@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000261638062 277298350 /nfs/dbraw/zinc/29/83/50/277298350.db2.gz DASLOXXSGZFHRB-VNQPRFMTSA-N 1 0 290.407 2.187 10 0 CEAERO C[NH2+][C@H]1CCCN(c2nc3ccccc3nc2Cl)C1 ZINC000095071442 277300409 /nfs/dbraw/zinc/30/04/09/277300409.db2.gz WKTMQIIAAKOFBN-JTQLQIEISA-N 1 0 276.771 2.471 10 0 CEAERO CC(C)CC1(CNC(=O)N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000127562346 277348610 /nfs/dbraw/zinc/34/86/10/277348610.db2.gz SZIJHANGGHFCJW-ZDUSSCGKSA-N 1 0 267.417 2.158 10 0 CEAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1(O)CCOCC1 ZINC000162581866 277434934 /nfs/dbraw/zinc/43/49/34/277434934.db2.gz MMNJEMKXJXXNCB-INIZCTEOSA-N 1 0 291.391 2.204 10 0 CEAERO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)C[C@@H]1[NH3+] ZINC000261571450 287968763 /nfs/dbraw/zinc/96/87/63/287968763.db2.gz RBPQXLCKHDTWJF-ZNSHCXBVSA-N 1 0 278.318 2.161 10 0 CEAERO COc1ccc(NC(=O)[C@H]2CCC[NH2+][C@H]2C)c(C)c1 ZINC000094648231 277915189 /nfs/dbraw/zinc/91/51/89/277915189.db2.gz WIDGLPKBIXCZCS-AAEUAGOBSA-N 1 0 262.353 2.330 10 0 CEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000282244840 278046738 /nfs/dbraw/zinc/04/67/38/278046738.db2.gz GEXAOCFNUIVURV-JOYOIKCWSA-N 1 0 286.297 2.462 10 0 CEAERO COc1ccccc1[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC000035571733 278060687 /nfs/dbraw/zinc/06/06/87/278060687.db2.gz KBMATORPRKJBNN-STQMWFEESA-N 1 0 292.379 2.357 10 0 CEAERO CC/C=C(/C)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1CC ZINC000247021003 278162828 /nfs/dbraw/zinc/16/28/28/278162828.db2.gz SNHRXWNEAKLANE-SADRXWBLSA-N 1 0 250.386 2.428 10 0 CEAERO C[C@@H]([NH3+])[C@@H]1CCCN(c2ccc3c(n2)CCCC3=O)C1 ZINC000333475218 278313785 /nfs/dbraw/zinc/31/37/85/278313785.db2.gz DVDJRNYAGXAQKF-VXGBXAGGSA-N 1 0 273.380 2.164 10 0 CEAERO CC(C)(C[NH3+])C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000122958887 278609567 /nfs/dbraw/zinc/60/95/67/278609567.db2.gz HEZNGKPBOSXDAY-IUCAKERBSA-N 1 0 266.307 2.209 10 0 CEAERO Cc1ccnc(N2CC[C@H]3[NH2+]CC[C@H]3C2)c1Br ZINC000261546966 278985548 /nfs/dbraw/zinc/98/55/48/278985548.db2.gz HOOKWNVOEGXCMS-WDEREUQCSA-N 1 0 296.212 2.341 10 0 CEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1CCc2c1cccc2F ZINC000282048621 279028609 /nfs/dbraw/zinc/02/86/09/279028609.db2.gz AYCGAHJMUKLUJR-FZZIBODNSA-N 1 0 262.328 2.070 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H]1SCCc2ccccc21 ZINC000248904519 279035580 /nfs/dbraw/zinc/03/55/80/279035580.db2.gz ZTSGPLXJKFLHBY-NILFDRSVSA-N 1 0 290.432 2.274 10 0 CEAERO CC(C)C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccccn1 ZINC000180495048 279193263 /nfs/dbraw/zinc/19/32/63/279193263.db2.gz JMWBITDVNFKGIG-HOCLYGCPSA-N 1 0 277.412 2.089 10 0 CEAERO CC(C)Cc1nnc(NC(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)s1 ZINC000230295176 279250202 /nfs/dbraw/zinc/25/02/02/279250202.db2.gz MRQARUHBJLKYLJ-UWVGGRQHSA-N 1 0 282.413 2.063 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)C2(CCOC)CCCC2)C1 ZINC000177541873 279293427 /nfs/dbraw/zinc/29/34/27/279293427.db2.gz DSJXHAAYCOLBLP-CQSZACIVSA-N 1 0 282.428 2.184 10 0 CEAERO C[C@H]([NH3+])[C@H]1CCN(c2ncccc2C(F)(F)F)C1 ZINC000127310006 279421946 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CC[N@@H+]1CCC[C@H](NC(=O)N2CCS[C@@H](C(C)C)C2)C1 ZINC000246109997 280274560 /nfs/dbraw/zinc/27/45/60/280274560.db2.gz HTLUWYBDFSBCPI-UONOGXRCSA-N 1 0 299.484 2.254 10 0 CEAERO C[C@H]1C[N@H+](C[C@@H](O)COc2ccc(F)cc2)CCS1 ZINC000246178988 280278418 /nfs/dbraw/zinc/27/84/18/280278418.db2.gz UJWIUWFOZXRCMR-WCQYABFASA-N 1 0 285.384 2.003 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)NCCC(C)(C)C ZINC000246190589 280279378 /nfs/dbraw/zinc/27/93/78/280279378.db2.gz XAJMNKJWDZSEMW-CABCVRRESA-N 1 0 295.471 2.097 10 0 CEAERO C[C@H](C(=O)NC1CCCCC1)N1CCS[C@@H](C)C1 ZINC000246206591 280280299 /nfs/dbraw/zinc/28/02/99/280280299.db2.gz YPULBQKWXGJYRT-NWDGAFQWSA-N 1 0 270.442 2.261 10 0 CEAERO Clc1ccc(OCCN2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000246316459 280287087 /nfs/dbraw/zinc/28/70/87/280287087.db2.gz KDWCTFVUYFDGSB-AWEZNQCLSA-N 1 0 280.799 2.499 10 0 CEAERO CC(C)[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000246349936 280288551 /nfs/dbraw/zinc/28/85/51/280288551.db2.gz PCIXBZLLCVJUOF-FRRDWIJNSA-N 1 0 255.406 2.013 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@]2(C)CCCS2)C1 ZINC000246479332 280296329 /nfs/dbraw/zinc/29/63/29/280296329.db2.gz GOAGZORNPJMXMP-UMVBOHGHSA-N 1 0 299.484 2.300 10 0 CEAERO Cc1ccc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c(C)n1 ZINC000247393404 280327961 /nfs/dbraw/zinc/32/79/61/280327961.db2.gz QOOXHQJOHLOEKU-ABAIWWIYSA-N 1 0 275.396 2.157 10 0 CEAERO CCc1ncc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)s1 ZINC000247442704 280329298 /nfs/dbraw/zinc/32/92/98/280329298.db2.gz SCMVMKQSSPMRPA-MNOVXSKESA-N 1 0 281.425 2.164 10 0 CEAERO Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2[NH3+])sc1C ZINC000087568205 280352114 /nfs/dbraw/zinc/35/21/14/280352114.db2.gz LCLNGIHQBSZCOE-WDEREUQCSA-N 1 0 252.383 2.365 10 0 CEAERO CC/C=C/CC[N@@H+]1CCN(CCOC)[C@@H](CC)C1 ZINC000248612475 280354995 /nfs/dbraw/zinc/35/49/95/280354995.db2.gz IOEVOKZQGFTGKO-LFAOLKIESA-N 1 0 254.418 2.385 10 0 CEAERO COCC[N@@H+]1CCN(Cc2ccc(C)c(OC)c2)C[C@@H]1C ZINC000248990154 280378426 /nfs/dbraw/zinc/37/84/26/280378426.db2.gz NDYZAMFAFSKBJM-HNNXBMFYSA-N 1 0 292.423 2.156 10 0 CEAERO CC[C@H](SC)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1CC ZINC000246081074 281014751 /nfs/dbraw/zinc/01/47/51/281014751.db2.gz GEGALWRGXIKEGG-AGIUHOORSA-N 1 0 270.442 2.213 10 0 CEAERO CC1(C)CCC[C@H]1[NH2+]C1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263485855 281067638 /nfs/dbraw/zinc/06/76/38/281067638.db2.gz HIMMWOKKMZYMSI-YMAMQOFZSA-N 1 0 294.439 2.482 10 0 CEAERO CCOC(=O)C1CCC([NH2+]C2CC(F)(F)C2)CC1 ZINC000429458616 281238344 /nfs/dbraw/zinc/23/83/44/281238344.db2.gz WICXDHNRSLSQGG-UHFFFAOYSA-N 1 0 261.312 2.496 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccnc(Cl)c1 ZINC000247041279 288313316 /nfs/dbraw/zinc/31/33/16/288313316.db2.gz GPPOUABGBNWIOA-PWSUYJOCSA-N 1 0 279.771 2.044 10 0 CEAERO Cc1ccsc1[C@@H](C)[NH2+]C[C@H](C)N1CCOCC1 ZINC000123357584 281507367 /nfs/dbraw/zinc/50/73/67/281507367.db2.gz NZJBRSYDZGTIFF-QWHCGFSZSA-N 1 0 268.426 2.428 10 0 CEAERO CN(C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1)c1ccc(F)cc1 ZINC000334969488 288825824 /nfs/dbraw/zinc/82/58/24/288825824.db2.gz VGIYAVXMPCRAFA-CYBMUJFWSA-N 1 0 279.359 2.441 10 0 CEAERO C[C@@]1(CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CCCS1 ZINC000153385764 289168371 /nfs/dbraw/zinc/16/83/71/289168371.db2.gz BXCKGHIXYOFILK-HIFRSBDPSA-N 1 0 297.468 2.152 10 0 CEAERO C[NH+](C)C[C@@H]1CN(CC(C)(C)c2ccccc2)CCO1 ZINC000183399489 289201856 /nfs/dbraw/zinc/20/18/56/289201856.db2.gz OXLIBHRDODURBO-MRXNPFEDSA-N 1 0 276.424 2.227 10 0 CEAERO CN(CCN(C)c1ccccc1)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000262256983 289258968 /nfs/dbraw/zinc/25/89/68/289258968.db2.gz FOUFWFUONAJCFH-GJZGRUSLSA-N 1 0 289.423 2.099 10 0 CEAERO C[C@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000184272615 289287992 /nfs/dbraw/zinc/28/79/92/289287992.db2.gz GXXJGUSMICQHFZ-DZGCQCFKSA-N 1 0 258.365 2.097 10 0 CEAERO C[C@H](CN1CCOCC1)[NH2+]CC1CCC(C)CC1 ZINC000089575791 289618933 /nfs/dbraw/zinc/61/89/33/289618933.db2.gz JDSGQWNNTGSKRP-SHARSMKWSA-N 1 0 254.418 2.123 10 0 CEAERO C[C@H](CS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000081899759 289722924 /nfs/dbraw/zinc/72/29/24/289722924.db2.gz DMFIZMCWCUIMRF-SFYZADRCSA-N 1 0 281.830 2.485 10 0 CEAERO Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CCc3ncnn3C1)CCC2 ZINC000180589429 293439997 /nfs/dbraw/zinc/43/99/97/293439997.db2.gz OBMPCFLOXGTTAI-ZYHUDNBSSA-N 1 0 289.408 2.025 10 0 CEAERO C[C@@H]1CN(C[C@@]2(C)CC[NH2+]C2)[C@H](c2ccccc2)CO1 ZINC000262115731 297022097 /nfs/dbraw/zinc/02/20/97/297022097.db2.gz WWJSKFTULUIOIW-PVAVHDDUSA-N 1 0 274.408 2.448 10 0 CEAERO [NH3+]C1(C(=O)NC2CCC(C(F)(F)F)CC2)CCC1 ZINC000147759137 295202077 /nfs/dbraw/zinc/20/20/77/295202077.db2.gz TUWHDOLRLZZROP-UHFFFAOYSA-N 1 0 264.291 2.105 10 0 CEAERO [NH3+]CCN1CCC([C@H]2c3ccc(Cl)cc3NC2=O)CC1 ZINC000262900226 295233309 /nfs/dbraw/zinc/23/33/09/295233309.db2.gz DNMDXVXCSPQYPF-AWEZNQCLSA-N 1 0 293.798 2.046 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000261697674 295315362 /nfs/dbraw/zinc/31/53/62/295315362.db2.gz IDQYPTHRXAYBOP-YJNKXOJESA-N 1 0 290.411 2.001 10 0 CEAERO CC(C)c1nsc(N2CC[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000164018434 297461654 /nfs/dbraw/zinc/46/16/54/297461654.db2.gz OQPBMLATPHKDFI-ZJUUUORDSA-N 1 0 254.403 2.083 10 0 CEAERO Cc1ccc([C@H](CNC(=O)[C@H]2CC[C@@H](C)O2)[NH+](C)C)cc1 ZINC000246113467 301796924 /nfs/dbraw/zinc/79/69/24/301796924.db2.gz XSCMRNUWKDWZEL-VNQPRFMTSA-N 1 0 290.407 2.281 10 0 CEAERO Cc1cccc(C)c1NCC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000261836547 301976292 /nfs/dbraw/zinc/97/62/92/301976292.db2.gz PEKBRDGZYICNGK-SWLSCSKDSA-N 1 0 289.423 2.301 10 0 CEAERO Cc1ccnc(N2C[C@@H](C)[NH2+]C[C@@H]2C)c1Br ZINC000235333210 302274777 /nfs/dbraw/zinc/27/47/77/302274777.db2.gz MQOAEAPTIYKYKL-ZJUUUORDSA-N 1 0 284.201 2.339 10 0 CEAERO CC(C)[NH2+]CCCNc1ccc(Br)cn1 ZINC000566906282 313874886 /nfs/dbraw/zinc/87/48/86/313874886.db2.gz YNMIEYROLREBPX-UHFFFAOYSA-N 1 0 272.190 2.066 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCc1ccc(Cl)s1 ZINC000384241679 321850985 /nfs/dbraw/zinc/85/09/85/321850985.db2.gz JFYDFOYCJVPCHN-GXSJLCMTSA-N 1 0 286.828 2.448 10 0 CEAERO CCOc1cccc(CNC(=O)[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000384372754 321851963 /nfs/dbraw/zinc/85/19/63/321851963.db2.gz IWKRJBVXWQKMMH-SWLSCSKDSA-N 1 0 276.380 2.090 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCCc1ccc(Cl)cc1 ZINC000384499583 321852853 /nfs/dbraw/zinc/85/28/53/321852853.db2.gz WTJGVSCFJSXMNB-RISCZKNCSA-N 1 0 280.799 2.387 10 0 CEAERO CC[C@H](C)NC(=O)C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000394290793 329116313 /nfs/dbraw/zinc/11/63/13/329116313.db2.gz ZIHQYUIDECZIHQ-BSTQEOMGSA-N 1 0 264.413 2.315 10 0 CEAERO c1cncc(C[N@@H+]2CC[C@@H]3C[C@@H](c4ccncn4)O[C@H]3C2)c1 ZINC000253601928 333185980 /nfs/dbraw/zinc/18/59/80/333185980.db2.gz GNMKHTUKZWUTOC-PVAVHDDUSA-N 1 0 296.374 2.224 10 0 CEAERO CC(C)(C)[NH2+]Cc1nnnn1-c1ccc(F)cc1Cl ZINC000054744273 518767441 /nfs/dbraw/zinc/76/74/41/518767441.db2.gz CUXDCJNUXIBFRD-UHFFFAOYSA-N 1 0 283.738 2.343 10 0 CEAERO CC(C)[NH2+]CCCOc1ccc(Cl)cc1C(N)=O ZINC000052859386 519720701 /nfs/dbraw/zinc/72/07/01/519720701.db2.gz MBFPYHQEHPDRDD-UHFFFAOYSA-N 1 0 270.760 2.206 10 0 CEAERO CC(C)[NH2+]Cc1cnc(N2CCOCC2)c(Cl)c1 ZINC000051399183 519728712 /nfs/dbraw/zinc/72/87/12/519728712.db2.gz WKFMPGCBNHYUBU-UHFFFAOYSA-N 1 0 269.776 2.070 10 0 CEAERO CC(C)[NH2+][C@@H](CC[N@H+](C)[C@@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000062522664 519733988 /nfs/dbraw/zinc/73/39/88/519733988.db2.gz QAWWXFJPWLHVMG-MELADBBJSA-N 1 0 270.417 2.338 10 0 CEAERO CC(C)[C@@H](CN(C)C)[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC000049204778 519793517 /nfs/dbraw/zinc/79/35/17/519793517.db2.gz LOXLIKSHYGKKEU-ZIAGYGMSSA-N 1 0 286.366 2.174 10 0 CEAERO CC(C)[C@@H]1CCC(=O)[C@H](C[N@@H+]2CCC[C@H](O)C2)C1 ZINC000054559269 519801870 /nfs/dbraw/zinc/80/18/70/519801870.db2.gz ICPMCSDEJCFYAD-RDBSUJKOSA-N 1 0 253.386 2.085 10 0 CEAERO CC(C)[C@@H](C[NH2+]C(C)(C)C)N(C)Cc1cnn(C)c1 ZINC000052570262 519794809 /nfs/dbraw/zinc/79/48/09/519794809.db2.gz QBZNRQIZCLYXGC-CQSZACIVSA-N 1 0 266.433 2.265 10 0 CEAERO CCC1CC[NH+]([C@H](C)C[C@](C)(NC(C)C)C(N)=O)CC1 ZINC000068638335 519859474 /nfs/dbraw/zinc/85/94/74/519859474.db2.gz STOVSMDHMIDAEV-CJNGLKHVSA-N 1 0 283.460 2.129 10 0 CEAERO CCCC1CCN([C@H](c2cnn(C)c2)[C@@H](C)[NH3+])CC1 ZINC000050892925 519903079 /nfs/dbraw/zinc/90/30/79/519903079.db2.gz GLYNIGYNFLMTLH-DOMZBBRYSA-N 1 0 264.417 2.321 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)NCc1ccccc1OC(F)F ZINC000061267492 519962932 /nfs/dbraw/zinc/96/29/32/519962932.db2.gz BMKHANICFHEQGE-JTQLQIEISA-N 1 0 286.322 2.150 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)NCC(C)(C)c1ccccc1 ZINC000061266194 519962199 /nfs/dbraw/zinc/96/21/99/519962199.db2.gz KAURVCLGQGUJNM-ZDUSSCGKSA-N 1 0 262.397 2.326 10 0 CEAERO CCC[NH2+]Cc1nnnn1[C@@H]1CCCC[C@H]1CC ZINC000054748039 519971931 /nfs/dbraw/zinc/97/19/31/519971931.db2.gz QLVMZRISDSJSDO-VXGBXAGGSA-N 1 0 251.378 2.314 10 0 CEAERO CCC[NH2+][C@@H](C)[C@H](CCS(=O)(=O)CC)C(C)C ZINC000061687215 519986860 /nfs/dbraw/zinc/98/68/60/519986860.db2.gz YDGSRQPAMDKKCA-QWHCGFSZSA-N 1 0 263.447 2.472 10 0 CEAERO CCC[NH2+][C@@H](CC[N@H+](CC)C1CCCC1)C(=O)[O-] ZINC000062448513 519995746 /nfs/dbraw/zinc/99/57/46/519995746.db2.gz YCIGCRGIRAWZLU-ZDUSSCGKSA-N 1 0 256.390 2.094 10 0 CEAERO CC[NH2+]Cc1coc(CN2C[C@@H](C)OC(C)(C)C2)c1 ZINC000052543544 520016828 /nfs/dbraw/zinc/01/68/28/520016828.db2.gz SUVPBVPLEOLTSY-GFCCVEGCSA-N 1 0 266.385 2.388 10 0 CEAERO CCC[NH2+][C@@](CO[C@@H](C)CC(C)C)(C(N)=O)C1CC1 ZINC000069196495 520055803 /nfs/dbraw/zinc/05/58/03/520055803.db2.gz XGEZOTPPPPUHDD-SWLSCSKDSA-N 1 0 270.417 2.071 10 0 CEAERO CCC[NH2+][C@H](C)c1sc(N2CCN(C)CC2)nc1C ZINC000054900282 520066907 /nfs/dbraw/zinc/06/69/07/520066907.db2.gz YYBWGGCDKUPRFM-LLVKDONJSA-N 1 0 282.457 2.264 10 0 CEAERO CCC[NH2+][C@H](C)c1ccc(O[C@@H](CC)C(N)=O)cc1 ZINC000061675815 520066097 /nfs/dbraw/zinc/06/60/97/520066097.db2.gz MVJOCLDHKOEJHP-RISCZKNCSA-N 1 0 264.369 2.390 10 0 CEAERO CCOC[C@@H](O)COc1ccc(C)cc1[C@H](C)[NH2+]C ZINC000069275533 520104741 /nfs/dbraw/zinc/10/47/41/520104741.db2.gz FULICNAXKWIIHK-QWHCGFSZSA-N 1 0 267.369 2.052 10 0 CEAERO CCN[C@@](C)(C[C@@H](C)[N@H+](CC1CC1)C(C)C)C(=O)OC ZINC000068637892 520139876 /nfs/dbraw/zinc/13/98/76/520139876.db2.gz QNJKTSHRAUMNMS-CJNGLKHVSA-N 1 0 284.444 2.427 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N(CC)Cc1ccc(OC)cc1 ZINC000061272408 520163127 /nfs/dbraw/zinc/16/31/27/520163127.db2.gz RWKOKWSYYKXCIC-CYBMUJFWSA-N 1 0 278.396 2.432 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(C)cc1OC[C@H](O)COCC ZINC000069276316 520176297 /nfs/dbraw/zinc/17/62/97/520176297.db2.gz DRDMVNUEEXHREN-ZIAGYGMSSA-N 1 0 281.396 2.442 10 0 CEAERO CCC[C@@H](C)N(C)C(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000051090332 520646830 /nfs/dbraw/zinc/64/68/30/520646830.db2.gz QRWKEBBBJDCSDH-MRVPVSSYSA-N 1 0 270.764 2.281 10 0 CEAERO CCN(CC)c1nc(C)c([C@H](C)C[NH2+]CCOC)c(C)n1 ZINC000054855197 520925367 /nfs/dbraw/zinc/92/53/67/520925367.db2.gz UVLGRMAGIROYHO-GFCCVEGCSA-N 1 0 294.443 2.279 10 0 CEAERO CCOC(=O)[C@@H](CC[N@H+](CC)CC1CC1)NC(C)C ZINC000069239652 521058147 /nfs/dbraw/zinc/05/81/47/521058147.db2.gz UPERIVSTWFQTCS-CQSZACIVSA-N 1 0 270.417 2.038 10 0 CEAERO CCOC(=O)[C@H](CC[N@H+](CC)C1CCCCC1)NC ZINC000062439029 521243323 /nfs/dbraw/zinc/24/33/23/521243323.db2.gz ODCLVJPAJSDDQM-AWEZNQCLSA-N 1 0 270.417 2.182 10 0 CEAERO CCC[C@](C)(C[NH2+]CC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000054657314 521267522 /nfs/dbraw/zinc/26/75/22/521267522.db2.gz KAWYVZYBESZSLR-ZIAGYGMSSA-N 1 0 275.458 2.473 10 0 CEAERO CCS(=O)(=O)CC[C@H](C[NH2+]C)Cc1cccc(C)c1 ZINC000052976382 521645638 /nfs/dbraw/zinc/64/56/38/521645638.db2.gz KZWSLNGEPAQINN-HNNXBMFYSA-N 1 0 283.437 2.198 10 0 CEAERO CCNC(=O)[C@@H](C)Oc1cc(F)ccc1[C@@H](C)[NH2+]C ZINC000062746498 521744003 /nfs/dbraw/zinc/74/40/03/521744003.db2.gz LNDARSYSDOQGKP-NXEZZACHSA-N 1 0 268.332 2.010 10 0 CEAERO COCC[C@@H]([NH3+])c1nc2c([nH]1)CCc1sccc1-2 ZINC000061327125 521830392 /nfs/dbraw/zinc/83/03/92/521830392.db2.gz WQTVKMFROCXXSN-SECBINFHSA-N 1 0 263.366 2.273 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000061300734 521937519 /nfs/dbraw/zinc/93/75/19/521937519.db2.gz LSUQPFVGVWCVMM-QMMMGPOBSA-N 1 0 256.296 2.140 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N[C@H](C)Cc1c(F)cccc1F ZINC000061316705 521938570 /nfs/dbraw/zinc/93/85/70/521938570.db2.gz FPDJLJNYLMZJCH-SECBINFHSA-N 1 0 270.323 2.010 10 0 CEAERO C[NH2+]C[C@H](Cc1cnn(C)c1)Cc1ccc(C)cc1 ZINC000052974377 522074466 /nfs/dbraw/zinc/07/44/66/522074466.db2.gz XCMJFLOQAOXBAI-HNNXBMFYSA-N 1 0 257.381 2.349 10 0 CEAERO C[NH2+]C[C@H]1CC[C@@H](COCCCc2ccccc2)O1 ZINC000052705684 522094345 /nfs/dbraw/zinc/09/43/45/522094345.db2.gz OMJAPQJEIQQQDJ-CVEARBPZSA-N 1 0 263.381 2.403 10 0 CEAERO CCc1nc(N(C)[C@@H](C)COC)sc1C[NH2+]C1CC1 ZINC000054998833 522381116 /nfs/dbraw/zinc/38/11/16/522381116.db2.gz WJLLXTGSKFPVEC-JTQLQIEISA-N 1 0 283.441 2.429 10 0 CEAERO CCc1nc(N2CCO[C@@H](C)C2)sc1C[NH2+]C(C)C ZINC000054995747 522387818 /nfs/dbraw/zinc/38/78/18/522387818.db2.gz XCUWZPJSISMJSI-NSHDSACASA-N 1 0 283.441 2.429 10 0 CEAERO C[NH2+][C@H](Cc1ccc(OC)c(F)c1)c1ccncn1 ZINC000070097435 522474163 /nfs/dbraw/zinc/47/41/63/522474163.db2.gz SMEJPBPOPRWKQP-CYBMUJFWSA-N 1 0 261.300 2.128 10 0 CEAERO CN[C@](C)(C[NH+]1CCC2(CCCCC2)CC1)C(=O)OC ZINC000061821781 522517393 /nfs/dbraw/zinc/51/73/93/522517393.db2.gz QURMRWHWHDFWKP-OAHLLOKOSA-N 1 0 282.428 2.184 10 0 CEAERO CCC[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cccnc1 ZINC000185993405 517612835 /nfs/dbraw/zinc/61/28/35/517612835.db2.gz QCDBBCOJOMXKBL-KGLIPLIRSA-N 1 0 271.368 2.119 10 0 CEAERO CC[NH2+][C@@](C)(CCCCOc1ccccc1OC)C(N)=O ZINC000045518531 517669034 /nfs/dbraw/zinc/66/90/34/517669034.db2.gz YNUJMHQNBNZJME-INIZCTEOSA-N 1 0 294.395 2.098 10 0 CEAERO C(CN1CCC[C@H]2CCCC[C@H]21)[NH2+]C1CCOCC1 ZINC000062767719 518389171 /nfs/dbraw/zinc/38/91/71/518389171.db2.gz LZMPPGQORBDFNA-GDBMZVCRSA-N 1 0 266.429 2.410 10 0 CEAERO CC(C)(C)[NH2+]CCCc1nnc(-c2ccccn2)o1 ZINC000050617885 518756865 /nfs/dbraw/zinc/75/68/65/518756865.db2.gz AIPHHDFNIJDELP-UHFFFAOYSA-N 1 0 260.341 2.452 10 0 CEAERO CC(C)(C)[NH2+]CCCc1nnc(C2CCOCC2)o1 ZINC000061673869 518757397 /nfs/dbraw/zinc/75/73/97/518757397.db2.gz YLNXNBHLRSDXTJ-UHFFFAOYSA-N 1 0 267.373 2.284 10 0 CEAERO CC(C)(C)[NH2+]Cc1nnnn1-c1ccccc1OC(F)F ZINC000054745031 518770507 /nfs/dbraw/zinc/77/05/07/518770507.db2.gz LMSRYYCXVWFPEX-UHFFFAOYSA-N 1 0 297.309 2.152 10 0 CEAERO CC(C)(C)[NH2+]Cc1nnnn1[C@H]1CCc2ccccc2C1 ZINC000054746428 518771110 /nfs/dbraw/zinc/77/11/10/518771110.db2.gz ZSMKYAGZEHKWLS-AWEZNQCLSA-N 1 0 285.395 2.291 10 0 CEAERO CC(C)C[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)C(=O)N(C)C ZINC000070349027 519253197 /nfs/dbraw/zinc/25/31/97/519253197.db2.gz NTSSIFNDKLIXJH-QWHCGFSZSA-N 1 0 270.417 2.037 10 0 CEAERO CC(C)([NH3+])c1noc(CN2CCC3(CCCC3)CC2)n1 ZINC000062954131 519302310 /nfs/dbraw/zinc/30/23/10/519302310.db2.gz WJCDAEDZPPYBJN-UHFFFAOYSA-N 1 0 278.400 2.420 10 0 CEAERO CC(C)([NH3+])c1noc(-c2cccc3cccnc32)n1 ZINC000061418838 519302472 /nfs/dbraw/zinc/30/24/72/519302472.db2.gz GWLMGIYVDQQJBT-UHFFFAOYSA-N 1 0 254.293 2.479 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cccc(O)c1 ZINC000049560314 519340171 /nfs/dbraw/zinc/34/01/71/519340171.db2.gz ZYNIWFLFESBXOD-CYBMUJFWSA-N 1 0 264.369 2.098 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc2c[nH]nc2c1 ZINC000061670582 519340901 /nfs/dbraw/zinc/34/09/01/519340901.db2.gz NBPCVUMASZBJQH-CQSZACIVSA-N 1 0 288.395 2.269 10 0 CEAERO CC(C)N(CCCO)c1cc(Cl)ccc1C(N)=[NH2+] ZINC000062788917 519645053 /nfs/dbraw/zinc/64/50/53/519645053.db2.gz AHRYKESKGIIRCF-UHFFFAOYSA-N 1 0 269.776 2.221 10 0 CEAERO CC(C)CCNC(=O)[C@H](C)[NH2+]C(C1CC1)C1CC1 ZINC000049234974 519660324 /nfs/dbraw/zinc/66/03/24/519660324.db2.gz NFMFLTWAGVDPBL-NSHDSACASA-N 1 0 252.402 2.315 10 0 CEAERO CC(C)C[NH+](CC(C)C)[C@@H](C)C[C@@](C)(NC1CC1)C(N)=O ZINC000068629004 519713572 /nfs/dbraw/zinc/71/35/72/519713572.db2.gz OMCCDBCMZBNSKU-WMLDXEAASA-N 1 0 297.487 2.375 10 0 CEAERO CC(C)C[NH+]1CCN(CC(=O)c2ccccc2)CC1 ZINC000055080121 519725758 /nfs/dbraw/zinc/72/57/58/519725758.db2.gz IUQBXNXLYIMDDN-UHFFFAOYSA-N 1 0 260.381 2.143 10 0 CEAERO CC(C)[NH2+]C[C@](C)(O)c1ccc2c(c1)OCCCO2 ZINC000055033099 519726324 /nfs/dbraw/zinc/72/63/24/519726324.db2.gz SOZMCAHNMZBKHG-HNNXBMFYSA-N 1 0 265.353 2.053 10 0 CEAERO CC(C)N[C@](C[N@H+](C)C1CCC(C)CC1)(C(N)=O)C1CC1 ZINC000069146457 519740019 /nfs/dbraw/zinc/74/00/19/519740019.db2.gz OKWVEIWNKURXIZ-PGEKIEPBSA-N 1 0 295.471 2.129 10 0 CEAERO CC(C)C[NH2+]CC[C@H](C)N1CCO[C@H]2CCC[C@@H]21 ZINC000052540406 519744373 /nfs/dbraw/zinc/74/43/73/519744373.db2.gz BADZVVNDEGTVOV-KKUMJFAQSA-N 1 0 254.418 2.264 10 0 CEAERO CC(C)C[NH2+]C[C@@H](C(C)C)N1CCOCC1(C)C ZINC000052546017 519744577 /nfs/dbraw/zinc/74/45/77/519744577.db2.gz VFTAXWNYMMXPIH-AWEZNQCLSA-N 1 0 256.434 2.367 10 0 CEAERO CC(C)C[NH2+]C[C@H]1CC[C@H](COCCc2ccccn2)O1 ZINC000052634047 519746430 /nfs/dbraw/zinc/74/64/30/519746430.db2.gz CFTBUYPSRIOCIV-IAGOWNOFSA-N 1 0 292.423 2.434 10 0 CEAERO CC(C)COCCCC[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000045479562 519752622 /nfs/dbraw/zinc/75/26/22/519752622.db2.gz LTTWLTKGXQKKTH-CQSZACIVSA-N 1 0 258.406 2.071 10 0 CEAERO CC(C)OCCN1C[C@@H](C(C)C)[NH2+]C[C@@H]1C(C)C ZINC000062626408 519766628 /nfs/dbraw/zinc/76/66/28/519766628.db2.gz MIVBHNLCTVDGLW-LSDHHAIUSA-N 1 0 256.434 2.366 10 0 CEAERO CC(C)C[C@@H](CNC(=O)C1CC1)[NH+]1CCCCC1 ZINC000049737221 519776576 /nfs/dbraw/zinc/77/65/76/519776576.db2.gz FQVANZOVKSHXOA-AWEZNQCLSA-N 1 0 252.402 2.413 10 0 CEAERO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cc(Cl)ccc1N ZINC000049191870 519793414 /nfs/dbraw/zinc/79/34/14/519793414.db2.gz WSAZRYQYSAMZMN-CYBMUJFWSA-N 1 0 283.803 2.238 10 0 CEAERO CC(C)[C@@H](CN(C)C)[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000049204666 519793567 /nfs/dbraw/zinc/79/35/67/519793567.db2.gz AAXMYCJUSCRKFY-HUUCEWRRSA-N 1 0 268.376 2.035 10 0 CEAERO CC(C)[C@@H]([NH2+]C[C@H](O)Cn1cccn1)c1cccs1 ZINC000049556095 519799118 /nfs/dbraw/zinc/79/91/18/519799118.db2.gz UEPVJTAJKUHPTR-GXTWGEPZSA-N 1 0 279.409 2.292 10 0 CEAERO CC(C)[C@H](CNCc1nc2ccccc2n1C)[NH+](C)C ZINC000066971678 519815927 /nfs/dbraw/zinc/81/59/27/519815927.db2.gz ONFZDPHKQPTIQF-HNNXBMFYSA-N 1 0 274.412 2.249 10 0 CEAERO CC(C)[C@H]([NH3+])c1cc2[nH]c(=O)[nH]c2cc1Br ZINC000052094353 519817905 /nfs/dbraw/zinc/81/79/05/519817905.db2.gz XHXXKVAWTNQPFQ-JTQLQIEISA-N 1 0 284.157 2.275 10 0 CEAERO CC(C)c1csc(NC(=O)c2ccc(NN)[nH+]c2)n1 ZINC000051114869 519856694 /nfs/dbraw/zinc/85/66/94/519856694.db2.gz QPDWRWAKJDWNJM-UHFFFAOYSA-N 1 0 277.353 2.199 10 0 CEAERO CCCNC(=O)N1CC[NH+]([C@@H]2CCc3ccccc32)CC1 ZINC000049719986 519883758 /nfs/dbraw/zinc/88/37/58/519883758.db2.gz FLYVSUHIVZFPLA-MRXNPFEDSA-N 1 0 287.407 2.411 10 0 CEAERO CCCNC(=O)[C@@H](C)Oc1cc(F)ccc1[C@H](C)[NH3+] ZINC000062745688 519888761 /nfs/dbraw/zinc/88/87/61/519888761.db2.gz HYXIUJUWAKCESG-VHSXEESVSA-N 1 0 268.332 2.139 10 0 CEAERO CCCNC(=O)[C@@H](C[NH3+])Cc1ccc(OCCC)cc1 ZINC000052919416 519889416 /nfs/dbraw/zinc/88/94/16/519889416.db2.gz FZADOYGHHCXTEN-CQSZACIVSA-N 1 0 278.396 2.119 10 0 CEAERO CCCn1nccc1[C@H]([NH3+])Cc1nc(C)cs1 ZINC000069472210 519892387 /nfs/dbraw/zinc/89/23/87/519892387.db2.gz OKUWPARXFLFULQ-SNVBAGLBSA-N 1 0 250.371 2.301 10 0 CEAERO CCCC1CC[NH+](C[C@@](NC)(C(=O)OCC)C2CC2)CC1 ZINC000069231677 519902326 /nfs/dbraw/zinc/90/23/26/519902326.db2.gz SYJIHMRCSQSRCV-KRWDZBQOSA-N 1 0 296.455 2.430 10 0 CEAERO CCCNC(=O)c1cccc(NC(=O)[C@H](C)C[NH2+]CC)c1 ZINC000061230935 519904326 /nfs/dbraw/zinc/90/43/26/519904326.db2.gz JRRWQGWRKLKESW-GFCCVEGCSA-N 1 0 291.395 2.011 10 0 CEAERO CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1cccc(C)n1 ZINC000054628376 519910488 /nfs/dbraw/zinc/91/04/88/519910488.db2.gz KNHVUWPXFAAVHC-MQVJKMGUSA-N 1 0 259.397 2.495 10 0 CEAERO CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2c1ccc(C(N)=O)cc1 ZINC000054601650 519910963 /nfs/dbraw/zinc/91/09/63/519910963.db2.gz HODXDNXRJXHQOV-VHRNVKJDSA-N 1 0 287.407 2.285 10 0 CEAERO CC[NH2+]CCC(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000061292191 519916756 /nfs/dbraw/zinc/91/67/56/519916756.db2.gz WNZIJRWZOLGWDU-MRXNPFEDSA-N 1 0 272.348 2.485 10 0 CEAERO CC[NH2+]CCC(=O)Nc1cc(OCC)ccc1OCC ZINC000061286918 519917792 /nfs/dbraw/zinc/91/77/92/519917792.db2.gz LTMQWJNMASUFJC-UHFFFAOYSA-N 1 0 280.368 2.422 10 0 CEAERO CC(C)n1c(Sc2cccc(F)c2[C@@H](C)[NH3+])n[nH]c1=O ZINC000061595933 519924645 /nfs/dbraw/zinc/92/46/45/519924645.db2.gz OMBNZKWWXXFCHK-MRVPVSSYSA-N 1 0 296.371 2.462 10 0 CEAERO CC[NH2+]CCc1nc(Cc2ccc(C)c(C)c2)no1 ZINC000061681134 519928426 /nfs/dbraw/zinc/92/84/26/519928426.db2.gz MOLXMHOIVOFNKA-UHFFFAOYSA-N 1 0 259.353 2.429 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N(C)Cc1ccc(F)cc1 ZINC000061229912 519931108 /nfs/dbraw/zinc/93/11/08/519931108.db2.gz JFSYUJDFBSHTRT-LLVKDONJSA-N 1 0 252.333 2.030 10 0 CEAERO CCC[NH2+]C[C@H](C)Sc1nnc2ccccn21 ZINC000061409140 519931709 /nfs/dbraw/zinc/93/17/09/519931709.db2.gz LRPBKFXHUDXADQ-JTQLQIEISA-N 1 0 250.371 2.210 10 0 CEAERO CCC[NH2+]C[C@H](O)CN(CC)c1ccc(C)cc1 ZINC000049985872 519933197 /nfs/dbraw/zinc/93/31/97/519933197.db2.gz VRDQQWWVERUQLR-HNNXBMFYSA-N 1 0 250.386 2.182 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1F ZINC000061231133 519937554 /nfs/dbraw/zinc/93/75/54/519937554.db2.gz MSSYBFPMDHQAGQ-ZJUUUORDSA-N 1 0 270.323 2.388 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N[C@H]1CCCc2sccc21 ZINC000061366026 519938782 /nfs/dbraw/zinc/93/87/82/519938782.db2.gz HEENKUMOKZAALO-PWSUYJOCSA-N 1 0 266.410 2.487 10 0 CEAERO CCC[NH2+]Cc1c(C)nc(C[C@@H]2CCCO2)nc1C ZINC000054854224 519942220 /nfs/dbraw/zinc/94/22/20/519942220.db2.gz QZDFFNHOMUVWHT-ZDUSSCGKSA-N 1 0 263.385 2.315 10 0 CEAERO CCC[NH2+]Cc1cc(COCC(F)(F)F)on1 ZINC000052601537 519944822 /nfs/dbraw/zinc/94/48/22/519944822.db2.gz NDJPAPXVMFQKDV-UHFFFAOYSA-N 1 0 252.236 2.253 10 0 CEAERO CC[NH2+]C[C@@H](Cc1ccccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000052950536 519946804 /nfs/dbraw/zinc/94/68/04/519946804.db2.gz LOUCUJFTDPQMGA-JKSUJKDBSA-N 1 0 295.448 2.198 10 0 CEAERO CCC[NH2+]Cc1ccc(OCCC(=O)NC)c(Cl)c1 ZINC000051757479 519951677 /nfs/dbraw/zinc/95/16/77/519951677.db2.gz KWGUAYMSRCQWAR-UHFFFAOYSA-N 1 0 284.787 2.355 10 0 CEAERO CC[NH2+]C[C@@H]1C[C@@H]1c1cc(OC)c(OC)cc1OC ZINC000054590552 519955658 /nfs/dbraw/zinc/95/56/58/519955658.db2.gz VNWATDDDICBLCT-QWRGUYRKSA-N 1 0 265.353 2.425 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N(CC)Cc1ccc(OC)c(F)c1 ZINC000061235419 519958921 /nfs/dbraw/zinc/95/89/21/519958921.db2.gz BDYRXTQCKLCGME-LBPRGKRZSA-N 1 0 296.386 2.428 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)NCc1cccc(Br)c1 ZINC000061267629 519963183 /nfs/dbraw/zinc/96/31/83/519963183.db2.gz BVNSQGFBFOVJEK-JTQLQIEISA-N 1 0 299.212 2.311 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000061234662 519968323 /nfs/dbraw/zinc/96/83/23/519968323.db2.gz KNXUGEUSIXYCOQ-ZDUSSCGKSA-N 1 0 275.396 2.471 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1cccc(NC(=O)OC)c1 ZINC000061234708 519968804 /nfs/dbraw/zinc/96/88/04/519968804.db2.gz HDHHWEOBEHCOJZ-JTQLQIEISA-N 1 0 279.340 2.049 10 0 CEAERO CC[NH2+]Cc1cc(C)c(O[C@@H](CC)C(N)=O)c(C)c1 ZINC000061675686 519985705 /nfs/dbraw/zinc/98/57/05/519985705.db2.gz HZMALROTVPTXRV-ZDUSSCGKSA-N 1 0 264.369 2.056 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccc(F)cc1OC[C@H](C)C(N)=O ZINC000062747432 519989268 /nfs/dbraw/zinc/98/92/68/519989268.db2.gz FWEGZIVBEZOGEJ-QWRGUYRKSA-N 1 0 282.359 2.387 10 0 CEAERO CC[NH2+]Cc1cc(CN2CCc3sccc3C2)on1 ZINC000052416527 519991000 /nfs/dbraw/zinc/99/10/00/519991000.db2.gz NFJJJFUWKGDFOU-UHFFFAOYSA-N 1 0 277.393 2.404 10 0 CEAERO CC[NH2+]Cc1ccc(CN2CCO[C@@H]3CCC[C@@H]32)o1 ZINC000052540194 519995825 /nfs/dbraw/zinc/99/58/25/519995825.db2.gz QVLLNUQAAXVEMB-LSDHHAIUSA-N 1 0 264.369 2.142 10 0 CEAERO CCC[NH2+][C@@H](CS(C)(=O)=O)c1ccc(C)cc1 ZINC000052789195 520010998 /nfs/dbraw/zinc/01/09/98/520010998.db2.gz OTOMXHJWCKCVJM-ZDUSSCGKSA-N 1 0 255.383 2.080 10 0 CEAERO CCC[NH2+][C@@H](Cn1ncccc1=O)c1ccc(C)cc1 ZINC000061402205 520015568 /nfs/dbraw/zinc/01/55/68/520015568.db2.gz NJNDTXRQSGOTLT-HNNXBMFYSA-N 1 0 271.364 2.293 10 0 CEAERO CCC[NH2+][C@@H](c1ccc(OC)c(OC)c1)[C@H]1COCCO1 ZINC000055300394 520018673 /nfs/dbraw/zinc/01/86/73/520018673.db2.gz XYMNCLFEAHWCPY-CVEARBPZSA-N 1 0 295.379 2.160 10 0 CEAERO CCC[NH2+][C@@H]1CCc2c1cccc2O[C@@H]1CCOC1=O ZINC000062799992 520026338 /nfs/dbraw/zinc/02/63/38/520026338.db2.gz MOEQZNXQQJFHMJ-UKRRQHHQSA-N 1 0 275.348 2.368 10 0 CEAERO CC[NH2+]Cc1sc(N2C[C@H](C)O[C@@H](C)C2)nc1C ZINC000054995449 520034484 /nfs/dbraw/zinc/03/44/84/520034484.db2.gz LPUDFUZEUDFZJA-UWVGGRQHSA-N 1 0 269.414 2.175 10 0 CEAERO CC[NH2+]Cc1sc(N2C[C@@H](C)OC[C@@H]2C)nc1C ZINC000054997261 520035373 /nfs/dbraw/zinc/03/53/73/520035373.db2.gz CUUNJJASUPITGE-VHSXEESVSA-N 1 0 269.414 2.175 10 0 CEAERO CC[NH2+]Cc1sc(N2CCOC(C)(C)C2)nc1CC ZINC000054997851 520035517 /nfs/dbraw/zinc/03/55/17/520035517.db2.gz GTOPEPJKFLBKFE-UHFFFAOYSA-N 1 0 283.441 2.430 10 0 CEAERO CCOCCOc1ccc(Cl)cc1C[NH2+]CCOC ZINC000062731029 520039688 /nfs/dbraw/zinc/03/96/88/520039688.db2.gz ZUIWUDRRUPKFHS-UHFFFAOYSA-N 1 0 287.787 2.491 10 0 CEAERO CCCN[C@@](C)(C[C@@H](C)[N@@H+]1CCCCC[C@@H]1C)C(N)=O ZINC000068647883 520041039 /nfs/dbraw/zinc/04/10/39/520041039.db2.gz DOKDWWPILGQBQB-LZWOXQAQSA-N 1 0 283.460 2.273 10 0 CEAERO CCCN[C@@](C[NH+](CCC)CCC)(C(=O)OC)C1CC1 ZINC000069095537 520053836 /nfs/dbraw/zinc/05/38/36/520053836.db2.gz AXDGXNCPUDFFMN-MRXNPFEDSA-N 1 0 284.444 2.430 10 0 CEAERO CCC[NH2+][C@@](COc1ccccc1CC)(C(N)=O)C1CC1 ZINC000069197958 520056880 /nfs/dbraw/zinc/05/68/80/520056880.db2.gz WDALCCHFIBHLPS-QGZVFWFLSA-N 1 0 290.407 2.262 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N(C)Cc1ccc(OCC)cc1 ZINC000061271690 520060046 /nfs/dbraw/zinc/06/00/46/520060046.db2.gz BTNSYDKYSRJKTL-ZDUSSCGKSA-N 1 0 278.396 2.432 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N[C@H](C)c1cccc(OC)c1 ZINC000061271500 520066421 /nfs/dbraw/zinc/06/64/21/520066421.db2.gz XWVTWWJOHGQWPX-NWDGAFQWSA-N 1 0 264.369 2.261 10 0 CEAERO CCCN[C@H](CC[N@H+](C)C[C@@H](C)CC)C(=O)OCC ZINC000062447630 520072177 /nfs/dbraw/zinc/07/21/77/520072177.db2.gz QDRHVQOBDXDEPX-UONOGXRCSA-N 1 0 272.433 2.286 10 0 CEAERO CC[NH2+][C@@H](C)Cc1nc(Cc2ccc(OC)cc2)no1 ZINC000061213044 520072667 /nfs/dbraw/zinc/07/26/67/520072667.db2.gz PGGOQZFPXBZAFZ-NSHDSACASA-N 1 0 275.352 2.210 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(F)cc1OC[C@@H](O)COCC ZINC000069276110 520076351 /nfs/dbraw/zinc/07/63/51/520076351.db2.gz KDPPCBAOLCSYGO-AAEUAGOBSA-N 1 0 285.359 2.272 10 0 CEAERO CC[NH2+][C@@H](C)c1ccccc1OC[C@H](O)COCC ZINC000069275283 520078521 /nfs/dbraw/zinc/07/85/21/520078521.db2.gz PCHWRERANYGLDS-QWHCGFSZSA-N 1 0 267.369 2.133 10 0 CEAERO CCCN[C@H](C[NH+]1CCC(CCC)CC1)C(=O)OCC ZINC000050905878 520083829 /nfs/dbraw/zinc/08/38/29/520083829.db2.gz VSXBZICWJSFBPL-OAHLLOKOSA-N 1 0 284.444 2.430 10 0 CEAERO CCC[NH2+][C@H](c1ccc(F)c(F)c1)[C@H]1COCCO1 ZINC000055300600 520088943 /nfs/dbraw/zinc/08/89/43/520088943.db2.gz RUQLCXVNCZJWJE-ZIAGYGMSSA-N 1 0 271.307 2.421 10 0 CEAERO CCN[C@@H](CC[NH+]1CCC(C)(CC)CC1)C(=O)OCC ZINC000062956182 520089438 /nfs/dbraw/zinc/08/94/38/520089438.db2.gz VGPGXRSTXIQVPZ-AWEZNQCLSA-N 1 0 284.444 2.430 10 0 CEAERO CCC[NH2+][C@H](c1ccc2c(c1)CCO2)[C@@H]1COCCO1 ZINC000055300471 520089805 /nfs/dbraw/zinc/08/98/05/520089805.db2.gz BUQASXQQETVKCR-JKSUJKDBSA-N 1 0 277.364 2.078 10 0 CEAERO CC[NH2+][C@@H](CCOc1ccc2ccccc2c1)C(N)=O ZINC000062550737 520092470 /nfs/dbraw/zinc/09/24/70/520092470.db2.gz CQPUQPOUHGYSBV-HNNXBMFYSA-N 1 0 272.348 2.072 10 0 CEAERO CC[NH2+][C@@H](COc1c(OC)cccc1OC)C1CC1 ZINC000069080208 520101286 /nfs/dbraw/zinc/10/12/86/520101286.db2.gz COOPCYMPANNSIN-LBPRGKRZSA-N 1 0 265.353 2.471 10 0 CEAERO CC[NH2+][C@@H](c1ccc(F)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000050568906 520109341 /nfs/dbraw/zinc/10/93/41/520109341.db2.gz FKPVTAOJUSWADP-BXUZGUMPSA-N 1 0 285.384 2.219 10 0 CEAERO CCC[NH2+][C@](C)(C[C@@H](C)Oc1ccc(C)cc1)C(N)=O ZINC000068653554 520112770 /nfs/dbraw/zinc/11/27/70/520112770.db2.gz FCVHHJJSERNOLA-CZUORRHYSA-N 1 0 278.396 2.396 10 0 CEAERO CCCCCC[C@@H](C)[NH2+][C@@H]1CC(=O)N(CCC)C1=O ZINC000049200074 520117278 /nfs/dbraw/zinc/11/72/78/520117278.db2.gz JWBBEWKQZBWBAS-CHWSQXEVSA-N 1 0 268.401 2.472 10 0 CEAERO CC[NH2+][C@@H]1COc2cc(OCc3ncccn3)ccc21 ZINC000062804727 520124739 /nfs/dbraw/zinc/12/47/39/520124739.db2.gz YVFITRIRNSXOKX-CYBMUJFWSA-N 1 0 271.320 2.099 10 0 CEAERO CCN[C@@](C)(CC[NH+]1CCC(C)(C)CC1)C(=O)OC ZINC000061822016 520133258 /nfs/dbraw/zinc/13/32/58/520133258.db2.gz VMTITAUBCFGEMU-HNNXBMFYSA-N 1 0 270.417 2.040 10 0 CEAERO CC[NH2+][C@@](C)(C[C@H](C)N(CC)c1ccccc1C)C(N)=O ZINC000068616690 520144919 /nfs/dbraw/zinc/14/49/19/520144919.db2.gz IFGXDXJXMOEPRC-YOEHRIQHSA-N 1 0 291.439 2.453 10 0 CEAERO CCN[C@@](C)(C[C@H](C)[NH+](CC(C)C)CC(C)C)C(N)=O ZINC000068628656 520145759 /nfs/dbraw/zinc/14/57/59/520145759.db2.gz ZHWWQTVYXLZXTR-HOCLYGCPSA-N 1 0 285.476 2.233 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N(C)Cc1ccc(OC)c(OC)c1 ZINC000061271720 520162485 /nfs/dbraw/zinc/16/24/85/520162485.db2.gz MJTUVCNOGFBYSE-GFCCVEGCSA-N 1 0 294.395 2.050 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N(Cc1cccc(O)c1)C1CC1 ZINC000061272710 520163739 /nfs/dbraw/zinc/16/37/39/520163739.db2.gz KSPQONHAKUOIPZ-GFCCVEGCSA-N 1 0 276.380 2.271 10 0 CEAERO CCN(C)C(=O)COc1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000062728758 520177643 /nfs/dbraw/zinc/17/76/43/520177643.db2.gz ZCDLUYGCKVHXOA-UHFFFAOYSA-N 1 0 278.396 2.432 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(F)cc1OCC(=O)N1CCCC1 ZINC000062747073 520178722 /nfs/dbraw/zinc/17/87/22/520178722.db2.gz SDPUFBNZQBZQIG-GFCCVEGCSA-N 1 0 294.370 2.497 10 0 CEAERO CC[NH2+][C@H](C)c1cnc(N2CCSCC2)s1 ZINC000054901840 520181122 /nfs/dbraw/zinc/18/11/22/520181122.db2.gz SPIYBUCPGWTJSF-SECBINFHSA-N 1 0 257.428 2.367 10 0 CEAERO CC[NH2+][C@H](C)c1nnc(-c2ccc3c(c2)CCO3)o1 ZINC000050892713 520183967 /nfs/dbraw/zinc/18/39/67/520183967.db2.gz OCXXQUVXLHGUMX-SECBINFHSA-N 1 0 259.309 2.342 10 0 CEAERO CCCNc1ccnc(C(=O)N[C@H]2CCC[N@H+](CC)C2)c1 ZINC000050777677 520184566 /nfs/dbraw/zinc/18/45/66/520184566.db2.gz KCPPBZFGSDSWOL-AWEZNQCLSA-N 1 0 290.411 2.118 10 0 CEAERO CC[NH2+][C@H](CN1CCN(C)C1=O)c1ccc(CC)cc1 ZINC000052885552 520197362 /nfs/dbraw/zinc/19/73/62/520197362.db2.gz ZNTHCNJDRCSKBN-OAHLLOKOSA-N 1 0 275.396 2.267 10 0 CEAERO CC[NH2+][C@H](c1ccc(CC)cc1)[C@H](C)S(C)(=O)=O ZINC000054930477 520208340 /nfs/dbraw/zinc/20/83/40/520208340.db2.gz ZDSZVLIIBOJOFJ-FZMZJTMJSA-N 1 0 269.410 2.333 10 0 CEAERO CC[NH2+][C@H](c1ccc(F)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000050568907 520208547 /nfs/dbraw/zinc/20/85/47/520208547.db2.gz FKPVTAOJUSWADP-RISCZKNCSA-N 1 0 285.384 2.219 10 0 CEAERO CC[NH2+][C@H]1CCCc2cc(OC[C@H](O)COC)ccc21 ZINC000069053741 520215711 /nfs/dbraw/zinc/21/57/11/520215711.db2.gz CPTUMLYRPPTYIP-CJNGLKHVSA-N 1 0 279.380 2.060 10 0 CEAERO CC[NH2+][C@H]1CCCc2cc(O[C@H](CC)C(N)=O)ccc21 ZINC000061676033 520216096 /nfs/dbraw/zinc/21/60/96/520216096.db2.gz DSXALTUOFVYWFJ-LSDHHAIUSA-N 1 0 276.380 2.316 10 0 CEAERO CC[NH2+][C@H]1COc2cc(O[C@H]3CCCC[C@@H]3O)ccc21 ZINC000062804764 520222243 /nfs/dbraw/zinc/22/22/43/520222243.db2.gz QRGGFNPELRUORE-KKUMJFAQSA-N 1 0 277.364 2.412 10 0 CEAERO CCN[C@](C)(C[C@@H](C)[N@H+](CC)CC1CC1)C(=O)OCC ZINC000068647656 520235974 /nfs/dbraw/zinc/23/59/74/520235974.db2.gz PXGUPRGHUFMBCX-CZUORRHYSA-N 1 0 284.444 2.428 10 0 CEAERO CC[N@H+](C)CCNc1cc(Cl)ccc1C(N)=S ZINC000062788549 520239216 /nfs/dbraw/zinc/23/92/16/520239216.db2.gz XDFKGRGRFANOSC-UHFFFAOYSA-N 1 0 271.817 2.338 10 0 CEAERO CCCCCOCCC[C@](C)([NH2+]CCC)C(N)=O ZINC000045544282 520246105 /nfs/dbraw/zinc/24/61/05/520246105.db2.gz GEDACGFAASHLRR-AWEZNQCLSA-N 1 0 258.406 2.217 10 0 CEAERO CCN[C@](C[NH+]1CCCCCCC1)(C(=O)OC)C1CC1 ZINC000069091031 520247703 /nfs/dbraw/zinc/24/77/03/520247703.db2.gz YNWVZLLUJBVJDB-INIZCTEOSA-N 1 0 282.428 2.184 10 0 CEAERO CCN[C@](C[NH+]1[C@@H](C)CCC[C@@H]1C)(C(=O)OC)C1CC1 ZINC000069096229 520248958 /nfs/dbraw/zinc/24/89/58/520248958.db2.gz YRUOSVJTKGBPGV-XEZPLFJOSA-N 1 0 282.428 2.181 10 0 CEAERO CC[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CC[C@H](C)O2)c1 ZINC000150768264 520257648 /nfs/dbraw/zinc/25/76/48/520257648.db2.gz VWAUYIGYRSTYRQ-XJKSGUPXSA-N 1 0 290.407 2.322 10 0 CEAERO CCNc1cc(C(=O)N2CC[NH+](C(C)(C)C)CC2)ccn1 ZINC000050789018 520260599 /nfs/dbraw/zinc/26/05/99/520260599.db2.gz CTLNANJGHIYXJE-UHFFFAOYSA-N 1 0 290.411 2.070 10 0 CEAERO CCCOCc1noc([C@H](C[NH3+])c2ccccc2)n1 ZINC000061609461 520260859 /nfs/dbraw/zinc/26/08/59/520260859.db2.gz IHFLUMQZSGATQG-GFCCVEGCSA-N 1 0 261.325 2.087 10 0 CEAERO CCCOCc1nc(C)c(CCC[NH2+]CCOC)c(C)n1 ZINC000054837965 520261195 /nfs/dbraw/zinc/26/11/95/520261195.db2.gz KCFMMMJIALNIPK-UHFFFAOYSA-N 1 0 295.427 2.189 10 0 CEAERO CCO[C@@H](C[NH3+])CN(C)Cc1ccc(Cl)cc1 ZINC000062739654 520308948 /nfs/dbraw/zinc/30/89/48/520308948.db2.gz UIPWGIXWYGFUNZ-ZDUSSCGKSA-N 1 0 256.777 2.136 10 0 CEAERO CCCCC[C@H](C)NS(=O)(=O)C[C@H]1CCCC[NH2+]1 ZINC000049631383 520309887 /nfs/dbraw/zinc/30/98/87/520309887.db2.gz UYVATGCBLMEKBJ-QWHCGFSZSA-N 1 0 276.446 2.017 10 0 CEAERO CCO[C@@H]1CCCN(c2ccc(C[NH2+]CC(C)C)nn2)C1 ZINC000051521358 520322317 /nfs/dbraw/zinc/32/23/17/520322317.db2.gz WRAJRAOIRJTWEM-OAHLLOKOSA-N 1 0 292.427 2.228 10 0 CEAERO CCO[C@@H]1CCCN(c2nc(C3CC3)c(C[NH3+])s2)C1 ZINC000069181776 520322761 /nfs/dbraw/zinc/32/27/61/520322761.db2.gz HFZKUCJUGJAJCD-LLVKDONJSA-N 1 0 281.425 2.485 10 0 CEAERO CCNc1ccccc1C(=O)N[C@H](C)C[NH+]1CCCC1 ZINC000050787869 520338825 /nfs/dbraw/zinc/33/88/25/520338825.db2.gz POMCHARLNCBQFR-CYBMUJFWSA-N 1 0 275.396 2.333 10 0 CEAERO CCNc1ccnc(C(=O)N2CC[NH+]([C@H](C)CC)CC2)c1 ZINC000055085337 520344684 /nfs/dbraw/zinc/34/46/84/520344684.db2.gz YJZVCGLMUAGYKW-CYBMUJFWSA-N 1 0 290.411 2.070 10 0 CEAERO CCNc1nc(C[N@H+](C)C(C)(C)CC)nc2c1cnn2C ZINC000069447176 520356810 /nfs/dbraw/zinc/35/68/10/520356810.db2.gz RSJODTGMXAQSRC-UHFFFAOYSA-N 1 0 290.415 2.416 10 0 CEAERO CCCOc1ccc(CNC(=O)c2ccc(C[NH3+])cc2)cn1 ZINC000186449350 520364170 /nfs/dbraw/zinc/36/41/70/520364170.db2.gz WZBIUKJGCMPTEJ-UHFFFAOYSA-N 1 0 299.374 2.259 10 0 CEAERO CCN(CC(=O)Nc1ccccc1OC)[C@](C)(CC)C[NH3+] ZINC000050091926 520369800 /nfs/dbraw/zinc/36/98/00/520369800.db2.gz NTDFUTFGNBYETQ-MRXNPFEDSA-N 1 0 293.411 2.083 10 0 CEAERO CC[N@H+](CC(C)C)C[C@](NC(C)C)(C(=O)OC)C1CC1 ZINC000069096829 520411962 /nfs/dbraw/zinc/41/19/62/520411962.db2.gz XMHLWXRHWLFVER-MRXNPFEDSA-N 1 0 284.444 2.284 10 0 CEAERO CCN(CC(F)(F)F)C(=O)C[C@H]1CCC[C@H]([NH3+])C1 ZINC000055137078 520417534 /nfs/dbraw/zinc/41/75/34/520417534.db2.gz RDHNBWBWRWDOTK-UWVGGRQHSA-N 1 0 266.307 2.305 10 0 CEAERO CCCOc1ccc([C@H]([NH3+])Cn2cc(C)cnc2=O)cc1 ZINC000063049836 520428448 /nfs/dbraw/zinc/42/84/48/520428448.db2.gz DTDJWIFKFOYEHU-OAHLLOKOSA-N 1 0 287.363 2.041 10 0 CEAERO CCCOc1cccc([C@@H]2[C@H](C[NH2+]CC)OCCN2C)c1 ZINC000070284993 520467093 /nfs/dbraw/zinc/46/70/93/520467093.db2.gz KXBYMOUZVDCJEA-DLBZAZTESA-N 1 0 292.423 2.457 10 0 CEAERO CCN(CC)C(=O)CN(C)c1ccc(Cl)cc1C[NH3+] ZINC000052857224 520476718 /nfs/dbraw/zinc/47/67/18/520476718.db2.gz UJFIUZGLSQYXJB-UHFFFAOYSA-N 1 0 283.803 2.103 10 0 CEAERO CCOC(=O)CCC[NH2+]CC(=O)Nc1ccccc1Cl ZINC000070270233 520658090 /nfs/dbraw/zinc/65/80/90/520658090.db2.gz STIWQRWRKUTORR-UHFFFAOYSA-N 1 0 298.770 2.211 10 0 CEAERO CCOC(=O)CC[C@H]([NH3+])c1cc(OC)c(OC)cc1F ZINC000061561752 520713960 /nfs/dbraw/zinc/71/39/60/520713960.db2.gz PBFAJZUXQXOFCH-NSHDSACASA-N 1 0 285.315 2.186 10 0 CEAERO CCCCOCCOc1cc(OC)ccc1C[NH3+] ZINC000049261609 520792353 /nfs/dbraw/zinc/79/23/53/520792353.db2.gz FMCDMQHEHNIOCJ-UHFFFAOYSA-N 1 0 253.342 2.349 10 0 CEAERO CCCCO[C@@H](C)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000068529345 520818399 /nfs/dbraw/zinc/81/83/99/520818399.db2.gz BMERYAGHMAVZGI-UONOGXRCSA-N 1 0 272.433 2.284 10 0 CEAERO CCOc1ccc(-c2nnc(CC[NH2+]C3CC3)o2)cc1 ZINC000050620357 520823837 /nfs/dbraw/zinc/82/38/37/520823837.db2.gz PROWKBUFOBSYFL-UHFFFAOYSA-N 1 0 273.336 2.430 10 0 CEAERO CCC[C@@H]1CN(Cc2cccc(OC)n2)C(C)(C)C[NH2+]1 ZINC000068701762 520841708 /nfs/dbraw/zinc/84/17/08/520841708.db2.gz KOKOLPIHLFDDBY-CYBMUJFWSA-N 1 0 277.412 2.443 10 0 CEAERO CCC[C@@]1(C(=O)N2CCC[C@H]2c2ccc[nH]2)CC[NH2+]C1 ZINC000062896008 520941298 /nfs/dbraw/zinc/94/12/98/520941298.db2.gz FKHILUNWTXOCHO-GOEBONIOSA-N 1 0 275.396 2.458 10 0 CEAERO CCC[C@@]1(C(=O)NCc2ccc(C)o2)CCC[NH2+]C1 ZINC000062861035 520943214 /nfs/dbraw/zinc/94/32/14/520943214.db2.gz SKLRROKXVVUQMX-OAHLLOKOSA-N 1 0 264.369 2.374 10 0 CEAERO CCC[C@@]1(C(=O)Nc2ccccc2CO)CCC[NH2+]C1 ZINC000062855609 520944024 /nfs/dbraw/zinc/94/40/24/520944024.db2.gz KRNYZQDFBQCDEC-MRXNPFEDSA-N 1 0 276.380 2.287 10 0 CEAERO CC[N@H+](CC1CC1)C[C@@](NC(C)C)(C(=O)OC)C1CC1 ZINC000069239606 520957558 /nfs/dbraw/zinc/95/75/58/520957558.db2.gz ZJVUQQWXGYUGSQ-INIZCTEOSA-N 1 0 282.428 2.038 10 0 CEAERO CC[N@H+](CCCC[C@](C)([NH2+]C1CC1)C(=O)[O-])CC1CC1 ZINC000069239575 521002945 /nfs/dbraw/zinc/00/29/45/521002945.db2.gz VYRMOMGAZDESBD-INIZCTEOSA-N 1 0 282.428 2.484 10 0 CEAERO CCC[C@H]([NH2+]CC(=O)N[C@H](C)COC)c1cccs1 ZINC000049544046 521155184 /nfs/dbraw/zinc/15/51/84/521155184.db2.gz URGOEACVZJWHDL-NEPJUHHUSA-N 1 0 284.425 2.330 10 0 CEAERO CC[N@H+](CC[C@H]([NH2+]C(C)C)C(=O)[O-])C1CCCCC1 ZINC000062439124 521157349 /nfs/dbraw/zinc/15/73/49/521157349.db2.gz PUCZNMDSMLBZHC-AWEZNQCLSA-N 1 0 270.417 2.482 10 0 CEAERO CCOc1ccc(OCC)c(N2CCC[NH2+]CC2)c1 ZINC000049660564 521164223 /nfs/dbraw/zinc/16/42/23/521164223.db2.gz UMMLJJFKBPHADN-UHFFFAOYSA-N 1 0 264.369 2.284 10 0 CEAERO CCC[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NCC)c1cccs1 ZINC000049544551 521167894 /nfs/dbraw/zinc/16/78/94/521167894.db2.gz IUMSGOMWVKGXSG-QWRGUYRKSA-N 1 0 297.424 2.413 10 0 CEAERO CCOC(=O)[C@@](N)(C[N@H+](CC)C1CCCCC1)C1CC1 ZINC000069091278 521172252 /nfs/dbraw/zinc/17/22/52/521172252.db2.gz OFTHXOQUVWIBNI-MRXNPFEDSA-N 1 0 282.428 2.312 10 0 CEAERO CCOc1ccc(OCc2ccc[nH+]c2NN)cc1 ZINC000052728475 521180371 /nfs/dbraw/zinc/18/03/71/521180371.db2.gz IYBFIHSWLBMDSF-UHFFFAOYSA-N 1 0 259.309 2.345 10 0 CEAERO CCOC(=O)[C@H](C)NC(=O)Nc1cccc([C@@H](C)[NH2+]C)c1 ZINC000049495647 521202474 /nfs/dbraw/zinc/20/24/74/521202474.db2.gz DQOAOHIJGLHBTB-MNOVXSKESA-N 1 0 293.367 2.040 10 0 CEAERO CCC[C@H]1C[N@H+](CCCn2ccnc2)[C@H](C2CC2)CN1 ZINC000068700984 521220798 /nfs/dbraw/zinc/22/07/98/521220798.db2.gz GNEJADMXFLWTPC-HOTGVXAUSA-N 1 0 276.428 2.126 10 0 CEAERO CCC(=O)Nc1cccc(NC(=O)[C@]2(CC)CC[NH2+]C2)c1 ZINC000062899536 521226705 /nfs/dbraw/zinc/22/67/05/521226705.db2.gz SZGWHAFPTAOQEH-MRXNPFEDSA-N 1 0 289.379 2.363 10 0 CEAERO CCC[C@]1(C(=O)Nc2ccccc2CO)CCC[NH2+]C1 ZINC000062855608 521300735 /nfs/dbraw/zinc/30/07/35/521300735.db2.gz KRNYZQDFBQCDEC-INIZCTEOSA-N 1 0 276.380 2.287 10 0 CEAERO CCC(C)(C)[N@H+](C)C[C@@](NC)(C(=O)OC)c1ccccc1 ZINC000069446701 521303612 /nfs/dbraw/zinc/30/36/12/521303612.db2.gz BNFFKBOHNZNWHA-KRWDZBQOSA-N 1 0 292.423 2.395 10 0 CEAERO CCOC(=O)[C@](C)(C[C@@H](C)[N@H+](C)CC1CC1)NC(C)C ZINC000068627721 521320868 /nfs/dbraw/zinc/32/08/68/521320868.db2.gz MBANTJAGDYKAAP-CJNGLKHVSA-N 1 0 284.444 2.427 10 0 CEAERO CCOC(=O)[C@](C)(C[C@@H](C)[N@H+](CC1CC1)C(C)C)NC ZINC000068637958 521322249 /nfs/dbraw/zinc/32/22/49/521322249.db2.gz KCROUOGYSOVFIA-CJNGLKHVSA-N 1 0 284.444 2.427 10 0 CEAERO CCOC(=O)[C@](C[N@H+](CC)C(C)C)(NC1CC1)C1CC1 ZINC000069097139 521338839 /nfs/dbraw/zinc/33/88/39/521338839.db2.gz DZEFOLQHKRQBCO-MRXNPFEDSA-N 1 0 282.428 2.181 10 0 CEAERO CCC(C)(C)[C@@H]1CC[C@H]([NH2+]C)[C@H](S(C)(=O)=O)C1 ZINC000054930172 521361683 /nfs/dbraw/zinc/36/16/83/521361683.db2.gz CSDSZEHULNEQID-GRYCIOLGSA-N 1 0 261.431 2.224 10 0 CEAERO CCC(C)(C)[C@H]1CC[C@@H](C[NH3+])[C@H](S(C)(=O)=O)C1 ZINC000068608626 521366669 /nfs/dbraw/zinc/36/66/69/521366669.db2.gz WHKKXEXSQWYPRZ-SDDRHHMPSA-N 1 0 261.431 2.211 10 0 CEAERO CCOc1cccc(NC(=O)[C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000049570454 521396147 /nfs/dbraw/zinc/39/61/47/521396147.db2.gz CJYLXSYYHXDZHV-NEPJUHHUSA-N 1 0 262.353 2.412 10 0 CEAERO CCCc1ccc([C@](C)(O)C[NH2+]CCOC)cc1 ZINC000055033563 521419373 /nfs/dbraw/zinc/41/93/73/521419373.db2.gz CCTSBXAOMXNZGR-OAHLLOKOSA-N 1 0 251.370 2.083 10 0 CEAERO CCC(CC)(CO)[NH2+]C[C@H](O)c1cc(C)ccc1OC ZINC000053070551 521458595 /nfs/dbraw/zinc/45/85/95/521458595.db2.gz AIRICUVYYYVMHV-AWEZNQCLSA-N 1 0 281.396 2.178 10 0 CEAERO CCN(c1c(C[NH2+]CCOC)c(C)nn1C)C1CCCC1 ZINC000062735764 521476408 /nfs/dbraw/zinc/47/64/08/521476408.db2.gz IOGXSXGVSNUXBM-UHFFFAOYSA-N 1 0 294.443 2.233 10 0 CEAERO CCC[NH+](CCC)CC[C@@H](NC1CC1)C(=O)OCC ZINC000062442092 521647021 /nfs/dbraw/zinc/64/70/21/521647021.db2.gz TXFWNPJZVRDKLD-CQSZACIVSA-N 1 0 270.417 2.182 10 0 CEAERO CCCN(CC[NH+](C)C)C(=O)c1ccc(NC)cc1 ZINC000050786169 521655452 /nfs/dbraw/zinc/65/54/52/521655452.db2.gz ZVQYXSMJOKGCHS-UHFFFAOYSA-N 1 0 263.385 2.142 10 0 CEAERO CCOC1CCN([C@@H](C[NH2+]C)c2ccccc2)CC1 ZINC000052484115 521657174 /nfs/dbraw/zinc/65/71/74/521657174.db2.gz SMHURLUOTODCGQ-INIZCTEOSA-N 1 0 262.397 2.448 10 0 CEAERO CCCN(CC[NH+](C)C)Cc1nc2sccc2c(N)n1 ZINC000050816472 521657733 /nfs/dbraw/zinc/65/77/33/521657733.db2.gz UEUQUBRDEOIYRN-UHFFFAOYSA-N 1 0 293.440 2.047 10 0 CEAERO CCOC1CCN(c2nc(C3CC3)c(C[NH3+])s2)CC1 ZINC000069180160 521657993 /nfs/dbraw/zinc/65/79/93/521657993.db2.gz NVFPIYDSBKXMOX-UHFFFAOYSA-N 1 0 281.425 2.485 10 0 CEAERO CCC[N@H+](CCO)Cc1cc2ccc(OC)cc2nc1N ZINC000050815771 521667122 /nfs/dbraw/zinc/66/71/22/521667122.db2.gz MJWFXGJRBRGUBG-UHFFFAOYSA-N 1 0 289.379 2.030 10 0 CEAERO CCC1(C(=O)N[C@@H](C)c2cccc(O)c2)CC[NH2+]CC1 ZINC000062848483 521669211 /nfs/dbraw/zinc/66/92/11/521669211.db2.gz JUQHOZBYWZNFCA-LBPRGKRZSA-N 1 0 276.380 2.349 10 0 CEAERO CCC1(CC)CC(=O)N(c2ccc3c(c2)C[NH2+]CC3)C1=O ZINC000069052868 521683971 /nfs/dbraw/zinc/68/39/71/521683971.db2.gz HHGAPNRYNDMEJC-UHFFFAOYSA-N 1 0 286.375 2.402 10 0 CEAERO CCC1(CC)C[NH2+][C@H](C(C)C)CN1CCOCCOC ZINC000068704528 521690442 /nfs/dbraw/zinc/69/04/42/521690442.db2.gz XQXHEUFKLGVWPQ-HNNXBMFYSA-N 1 0 286.460 2.138 10 0 CEAERO CCN1CCN(c2nc(C(C)(C)C)c(C[NH3+])s2)CC1 ZINC000054994812 521700090 /nfs/dbraw/zinc/70/00/90/521700090.db2.gz HEJHRLPQSPVJCB-UHFFFAOYSA-N 1 0 282.457 2.041 10 0 CEAERO CCNC(=O)CCOc1cc(F)ccc1[C@H](C)[NH2+]C ZINC000062746279 521735941 /nfs/dbraw/zinc/73/59/41/521735941.db2.gz DXBJCYWHYAISSA-JTQLQIEISA-N 1 0 268.332 2.011 10 0 CEAERO CCNC(=O)c1cc(N[C@@H](C)C[NH+]2CCCCC2)ccn1 ZINC000049502114 521747212 /nfs/dbraw/zinc/74/72/12/521747212.db2.gz PPDBTLMZXNKIIQ-ZDUSSCGKSA-N 1 0 290.411 2.118 10 0 CEAERO COC(=O)c1c(Cl)cc(Br)cc1C[NH3+] ZINC000299890087 521760976 /nfs/dbraw/zinc/76/09/76/521760976.db2.gz UBEGXOCRTKJEET-UHFFFAOYSA-N 1 0 278.533 2.348 10 0 CEAERO COC(=O)c1c(NC(=O)CC[C@@H](C)[NH3+])sc2c1CCC2 ZINC000070317765 521766337 /nfs/dbraw/zinc/76/63/37/521766337.db2.gz ZCQOLTWWVPNNLJ-MRVPVSSYSA-N 1 0 296.392 2.089 10 0 CEAERO CCc1ccccc1-c1nc(COC)cc(NN)n1 ZINC000052202532 521802084 /nfs/dbraw/zinc/80/20/84/521802084.db2.gz LLAPCXYCTALQPC-UHFFFAOYSA-N 1 0 258.325 2.138 10 0 CEAERO C[NH+](C)C[C@@H]1CCCN1Cc1ccc(Cl)c(N)c1 ZINC000061641776 521840414 /nfs/dbraw/zinc/84/04/14/521840414.db2.gz AUIGHRHAQZSSLQ-LBPRGKRZSA-N 1 0 267.804 2.448 10 0 CEAERO C[NH+](C)C[C@@H]1CCCN1c1ccc(N)cc1Cl ZINC000061642790 521845647 /nfs/dbraw/zinc/84/56/47/521845647.db2.gz AUPRQPQJGYLMLN-NSHDSACASA-N 1 0 253.777 2.453 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1c1ccc(N)cc1Cl ZINC000061642791 521874280 /nfs/dbraw/zinc/87/42/80/521874280.db2.gz AUPRQPQJGYLMLN-LLVKDONJSA-N 1 0 253.777 2.453 10 0 CEAERO CCc1ccccc1OC[C@@]([NH2+]C1CC1)(C(N)=O)C1CC1 ZINC000069197965 521923210 /nfs/dbraw/zinc/92/32/10/521923210.db2.gz NFLRCRMYBYLTHZ-KRWDZBQOSA-N 1 0 288.391 2.014 10 0 CEAERO COCC[C@H]([NH3+])C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000052790715 521942136 /nfs/dbraw/zinc/94/21/36/521942136.db2.gz HVMDICVZCOKLJQ-INRQWTSDSA-N 1 0 294.439 2.071 10 0 CEAERO CC[C@@H](C)C[NH2+]CC(=O)Nc1ccc(OC)cc1 ZINC000054472190 521996311 /nfs/dbraw/zinc/99/63/11/521996311.db2.gz MGKXJMPTJGXDKJ-LLVKDONJSA-N 1 0 250.342 2.269 10 0 CEAERO C[NH2+]CC[C@@H]1CCCCN1C(=O)c1cccn1C1CC1 ZINC000070191135 522016663 /nfs/dbraw/zinc/01/66/63/522016663.db2.gz IMYIRWMJPBLMSE-ZDUSSCGKSA-N 1 0 275.396 2.427 10 0 CEAERO C[NH2+]C[C@@H](C)Oc1cccc(I)c1 ZINC000052696187 522032319 /nfs/dbraw/zinc/03/23/19/522032319.db2.gz BNZGGGZXSNQZBL-MRVPVSSYSA-N 1 0 291.132 2.278 10 0 CEAERO C[NH2+]C[C@@H](CCCOC)Cc1cccc(OC)c1 ZINC000052978229 522034140 /nfs/dbraw/zinc/03/41/40/522034140.db2.gz IUZAMRPTYAGQIS-AWEZNQCLSA-N 1 0 251.370 2.500 10 0 CEAERO C[NH2+]C[C@@H](Cc1nnnn1-c1ccccc1)CC(C)C ZINC000052967857 522034683 /nfs/dbraw/zinc/03/46/83/522034683.db2.gz WSJJZIUNKRXUGX-CYBMUJFWSA-N 1 0 273.384 2.087 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1C(=O)c1ccc(C)c(OC)c1 ZINC000063167601 522079822 /nfs/dbraw/zinc/07/98/22/522079822.db2.gz AYKKDCMWDUHCTC-CQSZACIVSA-N 1 0 276.380 2.218 10 0 CEAERO CC[C@@H](C)N(CCOC)Cc1[nH+]c(NN)ccc1Cl ZINC000061638497 522092140 /nfs/dbraw/zinc/09/21/40/522092140.db2.gz WMTWSBYDCDCTHS-SNVBAGLBSA-N 1 0 286.807 2.268 10 0 CEAERO C[NH2+]C[C@H]1CC[C@@H](CN(C)c2ccccc2F)O1 ZINC000052543119 522094227 /nfs/dbraw/zinc/09/42/27/522094227.db2.gz ABBNELCCPWQEGP-NEPJUHHUSA-N 1 0 252.333 2.029 10 0 CEAERO COc1cc(C(=O)N2C[C@H](C[NH3+])CC[C@H]2C)ccc1C ZINC000070179530 522097229 /nfs/dbraw/zinc/09/72/29/522097229.db2.gz GGLAMTKKPYVICF-OLZOCXBDSA-N 1 0 276.380 2.203 10 0 CEAERO C[NH2+]C[C@H]1OCCN(C)[C@@H]1c1ccc(OC(C)C)cc1 ZINC000070284747 522098825 /nfs/dbraw/zinc/09/88/25/522098825.db2.gz KPDWWEQEZHTIMH-HZPDHXFCSA-N 1 0 278.396 2.065 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)c2cc3ccccc3cc2N)C1 ZINC000062971964 522103457 /nfs/dbraw/zinc/10/34/57/522103457.db2.gz SITHJNLFDKSEJO-AWEZNQCLSA-N 1 0 283.375 2.198 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(C(=O)c2cccc(C)c2N)CC1 ZINC000055063444 522116127 /nfs/dbraw/zinc/11/61/27/522116127.db2.gz VNPSMJUKPUJSOX-CYBMUJFWSA-N 1 0 275.396 2.134 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(C[C@](C)(O)c2ccccc2)CC1 ZINC000055068929 522123709 /nfs/dbraw/zinc/12/37/09/522123709.db2.gz AYPCHAFNXCBDRO-WBVHZDCISA-N 1 0 276.424 2.310 10 0 CEAERO CC[C@H](CC[NH3+])N1CCN(Cc2ccc(F)cc2F)CC1 ZINC000050872140 522127548 /nfs/dbraw/zinc/12/75/48/522127548.db2.gz MDSPMJQYTPMYDC-OAHLLOKOSA-N 1 0 297.393 2.210 10 0 CEAERO CC[C@@H](C)N1CC[NH+]([C@@H]2CCCCC[C@@H]2O)CC1 ZINC000055069771 522128935 /nfs/dbraw/zinc/12/89/35/522128935.db2.gz LQETYSAFNPJACY-KFWWJZLASA-N 1 0 254.418 2.096 10 0 CEAERO C[NH2+]Cc1cccc(NC(=O)c2cccnc2OC)c1 ZINC000061445211 522131362 /nfs/dbraw/zinc/13/13/62/522131362.db2.gz TYMZMCZUJFBJGS-UHFFFAOYSA-N 1 0 271.320 2.062 10 0 CEAERO COC(=O)c1ccc(N[C@@H](CC(C)C)C[NH+](C)C)c(N)c1 ZINC000049561994 522134471 /nfs/dbraw/zinc/13/44/71/522134471.db2.gz KYYISZPUYJWRLO-ZDUSSCGKSA-N 1 0 293.411 2.444 10 0 CEAERO C[NH2+]Cc1cnc(-c2cc(F)c(F)c(F)c2)nc1 ZINC000054855582 522145201 /nfs/dbraw/zinc/14/52/01/522145201.db2.gz WGLWASNOXQHBPL-UHFFFAOYSA-N 1 0 253.227 2.280 10 0 CEAERO C[NH2+]Cc1cnc(N(C)[C@@H]2CCSC2)c(Cl)c1 ZINC000051442255 522147335 /nfs/dbraw/zinc/14/73/35/522147335.db2.gz XTHFHYHHLOWMAM-SNVBAGLBSA-N 1 0 271.817 2.396 10 0 CEAERO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2C[C@H]2C)c1 ZINC000183491561 522227014 /nfs/dbraw/zinc/22/70/14/522227014.db2.gz KRLCAYXFAHTAAU-UHIISALHSA-N 1 0 290.363 2.188 10 0 CEAERO CC[C@@H](C)[NH2+]CC[C@@H](O)c1ccc2c(c1)OCO2 ZINC000049838744 522227800 /nfs/dbraw/zinc/22/78/00/522227800.db2.gz LSKXRIOHYHNYPV-ZYHUDNBSSA-N 1 0 251.326 2.227 10 0 CEAERO COC[C@@H](C)Oc1cc(C[NH2+]C(C)(C)C)ccn1 ZINC000070208941 522261317 /nfs/dbraw/zinc/26/13/17/522261317.db2.gz OMCSCSUOGSMRRH-LLVKDONJSA-N 1 0 252.358 2.383 10 0 CEAERO CN(C)c1cccc(OCc2cccnc2C[NH3+])c1 ZINC000061657680 522283150 /nfs/dbraw/zinc/28/31/50/522283150.db2.gz XWYWQJQSYFSTKM-UHFFFAOYSA-N 1 0 257.337 2.185 10 0 CEAERO CC[C@H]([NH3+])Cc1cc(C)nc(N2CCCCCC2)n1 ZINC000054836055 522332915 /nfs/dbraw/zinc/33/29/15/522332915.db2.gz ZXIBFOAVPNPECQ-ZDUSSCGKSA-N 1 0 262.401 2.445 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(NC(=O)C2CCOCC2)cc1 ZINC000061671089 522333134 /nfs/dbraw/zinc/33/31/34/522333134.db2.gz ATSHMQRFPXWDNX-NSHDSACASA-N 1 0 262.353 2.332 10 0 CEAERO CC[C@H]([NH3+])Cc1ccnc(-c2ccc(OC)c(OC)c2)n1 ZINC000054834947 522335029 /nfs/dbraw/zinc/33/50/29/522335029.db2.gz NNMQVDQNYCUPHW-LBPRGKRZSA-N 1 0 287.363 2.441 10 0 CEAERO C[NH2+][C@@H](C)c1nnc(-c2ccc(OC)c(OC)c2)o1 ZINC000050618290 522340112 /nfs/dbraw/zinc/34/01/12/522340112.db2.gz ZHGSIIIDQUZGOW-QMMMGPOBSA-N 1 0 263.297 2.034 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccc(Cl)cc1)N1CC[C@H](O)C1 ZINC000061709783 522343452 /nfs/dbraw/zinc/34/34/52/522343452.db2.gz IFOFZDKEQZBBDM-IHRRRGAJSA-N 1 0 268.788 2.185 10 0 CEAERO C[NH2+][C@@H](CCOc1ccccc1)c1cccnc1N ZINC000070320254 522349442 /nfs/dbraw/zinc/34/94/42/522349442.db2.gz LYJVJOPOAFVZPW-AWEZNQCLSA-N 1 0 257.337 2.393 10 0 CEAERO C[NH2+][C@@H](CN1CCN(C)C1=O)c1ccc2ccccc2c1 ZINC000052885685 522354340 /nfs/dbraw/zinc/35/43/40/522354340.db2.gz ICCLATCUMSNECP-INIZCTEOSA-N 1 0 283.375 2.468 10 0 CEAERO C[NH2+][C@@H](Cc1cccnc1)c1ccc2c(c1)OCCO2 ZINC000055228951 522361243 /nfs/dbraw/zinc/36/12/43/522361243.db2.gz XIOBAYJRQMGEOV-AWEZNQCLSA-N 1 0 270.332 2.356 10 0 CEAERO C[NH2+][C@@H](Cn1ncccc1=O)c1ccc2ccccc2c1 ZINC000061402625 522364985 /nfs/dbraw/zinc/36/49/85/522364985.db2.gz ZOUXHHXEMWFRNW-INIZCTEOSA-N 1 0 279.343 2.357 10 0 CEAERO C[NH2+][C@@H](Cn1nc(C)ccc1=O)c1ccc(C)cc1C ZINC000061810238 522365372 /nfs/dbraw/zinc/36/53/72/522365372.db2.gz DOZYGJAKGUIOPI-HNNXBMFYSA-N 1 0 271.364 2.129 10 0 CEAERO C[NH2+][C@@H](c1ccc(OC)c(OC)c1)[C@@H]1CCCOC1 ZINC000062231050 522369468 /nfs/dbraw/zinc/36/94/68/522369468.db2.gz ASFFLKAUCPKQSK-DOMZBBRYSA-N 1 0 265.353 2.391 10 0 CEAERO C[NH2+][C@@H](c1cncnc1)c1cc(Cl)c(OC)c(OC)c1 ZINC000052887274 522374185 /nfs/dbraw/zinc/37/41/85/522374185.db2.gz MTKNJDHGVPITIE-CYBMUJFWSA-N 1 0 293.754 2.456 10 0 CEAERO CCc1nc(N2CCCC2)sc1C[NH2+]CCOC ZINC000054995167 522383574 /nfs/dbraw/zinc/38/35/74/522383574.db2.gz IIPUNUTWVCXELB-UHFFFAOYSA-N 1 0 269.414 2.042 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2CCC[C@@H]1N1CCCOCC1 ZINC000061917571 522400669 /nfs/dbraw/zinc/40/06/69/522400669.db2.gz RYIWANARZHLVRF-DLBZAZTESA-N 1 0 274.408 2.374 10 0 CEAERO CC[C@@H](C)[C@H]1C[NH2+][C@H](C(C)C)CN1Cc1ncccn1 ZINC000068703056 522402954 /nfs/dbraw/zinc/40/29/54/522402954.db2.gz GDPGPNWJXLRVAS-QLFBSQMISA-N 1 0 276.428 2.321 10 0 CEAERO C[NH2+][C@@](C)(C[C@@H](C)[N@@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000068632773 522415114 /nfs/dbraw/zinc/41/51/14/522415114.db2.gz RXFPXLDUSIARTC-XPKDYRNWSA-N 1 0 282.428 2.482 10 0 CEAERO COC[C@@H](O)COc1c2ccccc2ccc1[C@H](C)[NH3+] ZINC000069053620 522425426 /nfs/dbraw/zinc/42/54/26/522425426.db2.gz PYNCDDSAGIXMLM-WCQYABFASA-N 1 0 275.348 2.246 10 0 CEAERO C[NH2+][C@@](COc1cccc(C(C)C)c1)(C(N)=O)C1CC1 ZINC000069197038 522431452 /nfs/dbraw/zinc/43/14/52/522431452.db2.gz OBLNSGWQLWLBOL-MRXNPFEDSA-N 1 0 276.380 2.042 10 0 CEAERO C[NH2+][C@H](C)CCCn1c2ccccc2nc(C)c1=O ZINC000052099148 522440200 /nfs/dbraw/zinc/44/02/00/522440200.db2.gz LXMTTXDMONHSBG-LLVKDONJSA-N 1 0 259.353 2.093 10 0 CEAERO C[NH2+][C@H](C)c1c(C)nn(C[C@H]2CCCCO2)c1C ZINC000054717881 522445212 /nfs/dbraw/zinc/44/52/12/522445212.db2.gz PJGBDRKQRBYWKD-ZWNOBZJWSA-N 1 0 251.374 2.349 10 0 CEAERO C[NH2+][C@H](C)c1ccc(F)cc1O[C@@H](C)C(=O)OC ZINC000062746143 522447735 /nfs/dbraw/zinc/44/77/35/522447735.db2.gz AWEPHKQBYOKRNA-BDAKNGLRSA-N 1 0 255.289 2.046 10 0 CEAERO C[NH2+][C@H](C)c1ccc(F)cc1O[C@H](C)C(=O)NC1CC1 ZINC000062746505 522447791 /nfs/dbraw/zinc/44/77/91/522447791.db2.gz KIVVYXBSMJTCPF-NXEZZACHSA-N 1 0 280.343 2.152 10 0 CEAERO C[NH2+][C@H](C)c1ccc(NC(=O)NC[C@@H]2CCOC2)cc1 ZINC000061148539 522449859 /nfs/dbraw/zinc/44/98/59/522449859.db2.gz LDMUGPUTMKCYKN-NEPJUHHUSA-N 1 0 277.368 2.125 10 0 CEAERO C[NH2+][C@H](CN1CCN(C)C1=O)c1c(C)cc(C)cc1C ZINC000052885577 522465825 /nfs/dbraw/zinc/46/58/25/522465825.db2.gz DOQCNKLMLCSHQR-CQSZACIVSA-N 1 0 275.396 2.240 10 0 CEAERO C[NH2+][C@H](CS(C)(=O)=O)c1ccccc1C(F)(F)F ZINC000055234089 522470493 /nfs/dbraw/zinc/47/04/93/522470493.db2.gz JKVOGIAMCSFNEU-SNVBAGLBSA-N 1 0 281.299 2.011 10 0 CEAERO COc1cc(C[NH2+][C@H](C)C(=O)Nc2ccccc2)ccn1 ZINC000062070315 522482207 /nfs/dbraw/zinc/48/22/07/522482207.db2.gz FRZMZCBFXUAZJI-GFCCVEGCSA-N 1 0 285.347 2.207 10 0 CEAERO C[NH2+][C@H](c1ccc2c(c1)CCC(=O)N2)C1CCOCC1 ZINC000061671666 522483251 /nfs/dbraw/zinc/48/32/51/522483251.db2.gz YTGKZAZHPYNSIV-INIZCTEOSA-N 1 0 274.364 2.258 10 0 CEAERO C[NH2+][C@H](c1ccc2c(c1)CCC(=O)N2C)[C@@H]1CCCCO1 ZINC000062806516 522483262 /nfs/dbraw/zinc/48/32/62/522483262.db2.gz OOUNZWIUGGAINT-DOTOQJQBSA-N 1 0 288.391 2.425 10 0 CEAERO COc1cc(C[C@@H](C)[NH3+])ccc1OC1CCOCC1 ZINC000069310651 522502433 /nfs/dbraw/zinc/50/24/33/522502433.db2.gz YYIJVGHQLCASCJ-LLVKDONJSA-N 1 0 265.353 2.143 10 0 CEAERO C[NH2+][C@](C)(CSc1ccc2ccccc2c1)C(N)=O ZINC000045590488 522518564 /nfs/dbraw/zinc/51/85/64/522518564.db2.gz JBOPEHSWFJIQFG-OAHLLOKOSA-N 1 0 274.389 2.395 10 0 CEAERO C[NH2+][C@](C)(C[C@@H](C)Oc1ccc2c(c1)CCCC2)C(N)=O ZINC000068652528 522521147 /nfs/dbraw/zinc/52/11/47/522521147.db2.gz BXKIQXYCJSGEQG-SJKOYZFVSA-N 1 0 290.407 2.186 10 0 CEAERO CN[C@](C)(C[C@H](C)[NH+](CC1CC1)CC1CC1)C(=O)OC ZINC000068647967 522522521 /nfs/dbraw/zinc/52/25/21/522522521.db2.gz HLJNZPOARYKQAK-BLLLJJGKSA-N 1 0 282.428 2.038 10 0 CEAERO CNc1c(F)cccc1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062984949 522544862 /nfs/dbraw/zinc/54/48/62/522544862.db2.gz PRKMLSMKCBWBSO-GFCCVEGCSA-N 1 0 291.370 2.178 10 0 CEAERO CNc1ccc(C(=O)N[C@H](C[NH+](C)C)C(C)C)cc1 ZINC000050779751 522596263 /nfs/dbraw/zinc/59/62/63/522596263.db2.gz BDWRXWGTTVWCOR-CQSZACIVSA-N 1 0 263.385 2.044 10 0 CEAERO COC[C@H](C)N(C)c1c(C[NH2+]C(C)(C)C)c(C)nn1C ZINC000062737311 522596517 /nfs/dbraw/zinc/59/65/17/522596517.db2.gz GBOWIGXWOUODJH-NSHDSACASA-N 1 0 282.432 2.088 10 0 CEAERO COC[C@H](C)N(C)c1nc(C)c(C[NH2+]C(C)C)s1 ZINC000054998805 522598206 /nfs/dbraw/zinc/59/82/06/522598206.db2.gz XSRXEWCABILUIE-JTQLQIEISA-N 1 0 271.430 2.421 10 0 CEAERO CNc1ccc(C)cc1C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061656081 522602471 /nfs/dbraw/zinc/60/24/71/522602471.db2.gz BIVLALZFPWMAND-CYBMUJFWSA-N 1 0 275.396 2.203 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc(C)nc(-c2ncccc2C)n1 ZINC000054835668 522642463 /nfs/dbraw/zinc/64/24/63/522642463.db2.gz CNZQLAITYZTQLF-GFCCVEGCSA-N 1 0 256.353 2.435 10 0 CEAERO CC[C@@H]([NH3+])[C@H](OCC1CCOCC1)C(F)(F)F ZINC000052150090 522651627 /nfs/dbraw/zinc/65/16/27/522651627.db2.gz PTNGHKOCWAFPKX-ZJUUUORDSA-N 1 0 255.280 2.098 10 0 CEAERO CCc1nnc(COc2cccc3c2CC[C@H]3[NH3+])o1 ZINC000062798435 522751145 /nfs/dbraw/zinc/75/11/45/522751145.db2.gz GZEHDSWCFUGYEB-LLVKDONJSA-N 1 0 259.309 2.157 10 0 CEAERO CC[C@@H](NC(=O)[C@@](C)([NH3+])C1CC1)c1cccs1 ZINC000049532201 522764877 /nfs/dbraw/zinc/76/48/77/522764877.db2.gz IKNNULBUPGYKGB-MFKMUULPSA-N 1 0 252.383 2.443 10 0 CEAERO CC[C@H](Oc1c(C)cc(C[NH2+]C2CC2)cc1C)C(N)=O ZINC000061675692 522867442 /nfs/dbraw/zinc/86/74/42/522867442.db2.gz SAJMTFUVLVFDKN-AWEZNQCLSA-N 1 0 276.380 2.198 10 0 CEAERO CC[C@H](Oc1ccc(Cl)cc1[C@@H](C)[NH3+])C(N)=O ZINC000061676040 522871932 /nfs/dbraw/zinc/87/19/32/522871932.db2.gz KCPNGWWYHXMWIS-XCBNKYQSSA-N 1 0 256.733 2.002 10 0 CEAERO COc1cc(OC)cc(O[C@H](C[NH3+])c2ccncc2)c1 ZINC000068800563 522874771 /nfs/dbraw/zinc/87/47/71/522874771.db2.gz FNSVSDLSBGKOHI-OAHLLOKOSA-N 1 0 274.320 2.178 10 0 CEAERO COc1cc(OC)cc([C@H](O)C[NH2+]C(C)(C)C)c1 ZINC000055029722 522884812 /nfs/dbraw/zinc/88/48/12/522884812.db2.gz DGBRGAFKFCFHOU-CYBMUJFWSA-N 1 0 253.342 2.125 10 0 CEAERO CC[C@@H](NS(=O)(=O)c1cccc([C@H](C)[NH3+])c1)C(C)C ZINC000049147327 522904303 /nfs/dbraw/zinc/90/43/03/522904303.db2.gz FHLFUJWLOCUYAI-SMDDNHRTSA-N 1 0 284.425 2.419 10 0 CEAERO CN(CCc1ccccn1)C[C@](C)([NH3+])c1ccccc1 ZINC000052883255 522966935 /nfs/dbraw/zinc/96/69/35/522966935.db2.gz BRHLEKBESBDBPE-KRWDZBQOSA-N 1 0 269.392 2.430 10 0 CEAERO C[N@H+](CCn1cc(N)cn1)Cc1ccc(Cl)cc1 ZINC000050614772 522999139 /nfs/dbraw/zinc/99/91/39/522999139.db2.gz YTOKQNBTMHXGEL-UHFFFAOYSA-N 1 0 264.760 2.251 10 0 CEAERO CC[C@@H](Oc1cc(C[NH2+]CC(C)C)ccc1OC)C(N)=O ZINC000062732566 523038082 /nfs/dbraw/zinc/03/80/82/523038082.db2.gz YSSQMMBDQQWBBP-CYBMUJFWSA-N 1 0 294.395 2.084 10 0 CEAERO CC[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000069136229 523044287 /nfs/dbraw/zinc/04/42/87/523044287.db2.gz NGBAJYNUPFVNGF-XQQFMLRXSA-N 1 0 259.415 2.122 10 0 CEAERO CC[C@@H](Oc1ccc2ccccc2c1C[C@H](C)[NH3+])C(N)=O ZINC000061678410 523046791 /nfs/dbraw/zinc/04/67/91/523046791.db2.gz HVDCSHBMPRBGRY-XHDPSFHLSA-N 1 0 286.375 2.372 10 0 CEAERO CN(C[C@@H]1CCCO1)c1ccc(Cl)cc1C[NH3+] ZINC000052857103 523054900 /nfs/dbraw/zinc/05/49/00/523054900.db2.gz FDESVMNMSWADLZ-LBPRGKRZSA-N 1 0 254.761 2.414 10 0 CEAERO COCCCN(C)C[C@@H]([NH3+])c1ccc(C)c(C)c1 ZINC000062030581 523230438 /nfs/dbraw/zinc/23/04/38/523230438.db2.gz QNCHCAAUTICROR-OAHLLOKOSA-N 1 0 250.386 2.272 10 0 CEAERO COCCCN(C)[C@@H](C[NH3+])c1cccc2cccnc21 ZINC000069502788 523231378 /nfs/dbraw/zinc/23/13/78/523231378.db2.gz GDGWRCSWCRSYLK-HNNXBMFYSA-N 1 0 273.380 2.203 10 0 CEAERO COC(=O)COc1ccccc1C[NH2+]C(C)(C)C ZINC000062729280 523233651 /nfs/dbraw/zinc/23/36/51/523233651.db2.gz ZBLPTXBSGHDIOT-UHFFFAOYSA-N 1 0 251.326 2.127 10 0 CEAERO CCn1c(S[C@H](c2ccccc2C)[C@H](C)[NH3+])n[nH]c1=O ZINC000061594269 523246917 /nfs/dbraw/zinc/24/69/17/523246917.db2.gz YLDVBGGHNUTGHM-JQWIXIFHSA-N 1 0 292.408 2.080 10 0 CEAERO CCn1c(Sc2ccc([C@@H](C)[NH3+])cc2Cl)n[nH]c1=O ZINC000061700497 523249064 /nfs/dbraw/zinc/24/90/64/523249064.db2.gz UYGSLQWDSVDCOM-SSDOTTSWSA-N 1 0 298.799 2.416 10 0 CEAERO COc1ccc(-c2nnc(C[NH2+]CC(C)C)o2)cc1 ZINC000062651053 523251943 /nfs/dbraw/zinc/25/19/43/523251943.db2.gz DVTGTHPTROCEOU-UHFFFAOYSA-N 1 0 261.325 2.491 10 0 CEAERO CC[C@H]1CN(c2ccc(Cl)c(C[NH2+]C)n2)CCO1 ZINC000051444523 523306695 /nfs/dbraw/zinc/30/66/95/523306695.db2.gz LCZZAAWTJQVCLP-JTQLQIEISA-N 1 0 269.776 2.070 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C(C)C)CN1Cc1cccc(OC)n1 ZINC000068695201 523322064 /nfs/dbraw/zinc/32/20/64/523322064.db2.gz MOJAQBLIOYZMGB-GJZGRUSLSA-N 1 0 277.412 2.299 10 0 CEAERO CC[C@H]1COCCN1c1ccc(C(N)=[NH2+])c(Cl)c1 ZINC000061856568 523337610 /nfs/dbraw/zinc/33/76/10/523337610.db2.gz MBCVYEDXDKRFJO-VIFPVBQESA-N 1 0 267.760 2.239 10 0 CEAERO COCCC[NH2+]C[C@@H](C)Oc1ccc(F)c(F)c1 ZINC000053586798 523374374 /nfs/dbraw/zinc/37/43/74/523374374.db2.gz OUEXCNLGJMHORY-SNVBAGLBSA-N 1 0 259.296 2.358 10 0 CEAERO COCCCOc1ccc(C[NH2+]C(C)(C)C)cn1 ZINC000051522407 523415400 /nfs/dbraw/zinc/41/54/00/523415400.db2.gz HOTQNLSGQAIUFG-UHFFFAOYSA-N 1 0 252.358 2.385 10 0 CEAERO CC[C@](C)(CCS(=O)(=O)CC)C[NH2+]CC(C)C ZINC000054661742 523461866 /nfs/dbraw/zinc/46/18/66/523461866.db2.gz YLWQDKVXZXKWRD-CYBMUJFWSA-N 1 0 263.447 2.473 10 0 CEAERO CC[C@](C)(C[NH2+]C1CC1)Cc1nnnn1-c1ccccc1 ZINC000054661450 523463619 /nfs/dbraw/zinc/46/36/19/523463619.db2.gz XLCCDVZRDQWLFX-INIZCTEOSA-N 1 0 285.395 2.373 10 0 CEAERO CN(Cc1ccsc1)[C@]1(C[NH3+])CCCSC1 ZINC000061590037 523488697 /nfs/dbraw/zinc/48/86/97/523488697.db2.gz KGEXGRGVPXJNJJ-LBPRGKRZSA-N 1 0 256.440 2.404 10 0 CEAERO CC[C@](O)(C[NH2+]CCOC)c1ccc(Cl)cc1 ZINC000055033671 523532446 /nfs/dbraw/zinc/53/24/46/523532446.db2.gz LPQCYGCLKPHIJW-ZDUSSCGKSA-N 1 0 257.761 2.174 10 0 CEAERO COC(=O)[C@@H](CC[N@H+](CC1CC1)C(C)C)NC(C)C ZINC000062525857 523571840 /nfs/dbraw/zinc/57/18/40/523571840.db2.gz BCQKNVSWKYQPQO-CQSZACIVSA-N 1 0 270.417 2.037 10 0 CEAERO COCC[N@H+](C)CCNc1ccc(C(F)(F)F)cc1N ZINC000061378005 523614144 /nfs/dbraw/zinc/61/41/44/523614144.db2.gz OCOXWTOGQBGMNI-UHFFFAOYSA-N 1 0 291.317 2.278 10 0 CEAERO COCC[N@H+](C)CCNc1ccc2ccccc2n1 ZINC000061379717 523616411 /nfs/dbraw/zinc/61/64/11/523616411.db2.gz CYGHRWSLGLTSCN-UHFFFAOYSA-N 1 0 259.353 2.225 10 0 CEAERO CN(c1ccc(Cl)cc1C(N)=O)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000052858693 523636914 /nfs/dbraw/zinc/63/69/14/523636914.db2.gz CBXMFDLJKKEZFP-FOSCPWQOSA-N 1 0 293.798 2.158 10 0 CEAERO CCc1c(C)nn(Cc2csc(C[NH3+])n2)c1C ZINC000052592079 523715990 /nfs/dbraw/zinc/71/59/90/523715990.db2.gz YHQZNQYLIGKOCV-UHFFFAOYSA-N 1 0 250.371 2.026 10 0 CEAERO CC[C@@]1(C)CN[C@H](C(C)C)C[N@@H+]1CCCn1ccnc1 ZINC000068704150 523718551 /nfs/dbraw/zinc/71/85/51/523718551.db2.gz DACZJJZJBHEDDS-HOTGVXAUSA-N 1 0 278.444 2.372 10 0 CEAERO CCn1nccc1[C@H]([NH3+])c1cc(F)c(F)c(F)c1 ZINC000069471605 523745971 /nfs/dbraw/zinc/74/59/71/523745971.db2.gz LIIGBHOARJMXEN-GFCCVEGCSA-N 1 0 255.243 2.368 10 0 CEAERO CCn1nccc1[C@H](Cc1csc(C)n1)[NH2+]C ZINC000069472261 523746594 /nfs/dbraw/zinc/74/65/94/523746594.db2.gz GWLONSKLKZNVTH-NSHDSACASA-N 1 0 250.371 2.171 10 0 CEAERO COc1ccc(C)cc1C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000063192461 523802130 /nfs/dbraw/zinc/80/21/30/523802130.db2.gz QHFMASWLOPFNIB-OCCSQVGLSA-N 1 0 276.380 2.346 10 0 CEAERO COc1ccc(C)cc1[C@H](C)NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000163969389 523856063 /nfs/dbraw/zinc/85/60/63/523856063.db2.gz LJZCBRKSSZUVOU-RYUDHWBXSA-N 1 0 276.380 2.036 10 0 CEAERO COc1ccc(C=O)cc1CN1CC[NH+](CC(C)C)CC1 ZINC000055080155 523885784 /nfs/dbraw/zinc/88/57/84/523885784.db2.gz VPZINNAFRWQZBI-UHFFFAOYSA-N 1 0 290.407 2.281 10 0 CEAERO COCC[NH2+]CCCN1c2ccccc2CC[C@@H]1C ZINC000062367417 523935967 /nfs/dbraw/zinc/93/59/67/523935967.db2.gz MRYCUINOHMAKRP-AWEZNQCLSA-N 1 0 262.397 2.454 10 0 CEAERO COCC[NH2+]CCOc1ccc(F)cc1Br ZINC000053564265 523938826 /nfs/dbraw/zinc/93/88/26/523938826.db2.gz TURTXEMKLKEBOZ-UHFFFAOYSA-N 1 0 292.148 2.203 10 0 CEAERO CN(C(=O)c1ccc2c(c1)CCO2)c1ccc(C[NH3+])cc1 ZINC000050891888 523939573 /nfs/dbraw/zinc/93/95/73/523939573.db2.gz BIDIIZILBWAPFZ-UHFFFAOYSA-N 1 0 282.343 2.357 10 0 CEAERO COCC[NH2+]C[C@@H]1C[C@@H]1c1ccc(OC)cc1OC ZINC000054598537 523941499 /nfs/dbraw/zinc/94/14/99/523941499.db2.gz WHNBKKAEANTSRJ-FZMZJTMJSA-N 1 0 265.353 2.043 10 0 CEAERO COCC[NH2+]C[C@H](C)N(Cc1cccs1)C1CC1 ZINC000053498191 523942349 /nfs/dbraw/zinc/94/23/49/523942349.db2.gz PLYBXMCICYCWRK-LBPRGKRZSA-N 1 0 268.426 2.337 10 0 CEAERO COCC[NH2+]C[C@H](CCOC)Cc1ccccc1 ZINC000054659699 523943534 /nfs/dbraw/zinc/94/35/34/523943534.db2.gz YGBOMIBLMFPBTJ-OAHLLOKOSA-N 1 0 251.370 2.118 10 0 CEAERO COCC[NH2+]C[C@H](O)c1cccc(Cl)c1Cl ZINC000055030372 523943878 /nfs/dbraw/zinc/94/38/78/523943878.db2.gz LMOXHKJHGDMKEA-JTQLQIEISA-N 1 0 264.152 2.263 10 0 CEAERO COCC[NH2+]C[C@H]1C[C@@]1(C)c1ccc(OC)cc1OC ZINC000054599242 523944362 /nfs/dbraw/zinc/94/43/62/523944362.db2.gz NTBBADNEZACQCX-MLGOLLRUSA-N 1 0 279.380 2.217 10 0 CEAERO COCC[NH2+]Cc1cc(F)ccc1N1CCSCC1 ZINC000062734943 523949719 /nfs/dbraw/zinc/94/97/19/523949719.db2.gz NQEFMLMLOQZAMC-UHFFFAOYSA-N 1 0 284.400 2.115 10 0 CEAERO COCC[NH2+]Cc1cc(F)ccc1N(C)[C@H](C)COC ZINC000062737322 523950166 /nfs/dbraw/zinc/95/01/66/523950166.db2.gz CUPHUSFLMVUDQQ-GFCCVEGCSA-N 1 0 284.375 2.033 10 0 CEAERO COCC[NH2+]Cc1ccccc1N(C)CC(F)(F)F ZINC000062736390 523954997 /nfs/dbraw/zinc/95/49/97/523954997.db2.gz KRBDXRWRFJVGCG-UHFFFAOYSA-N 1 0 276.302 2.421 10 0 CEAERO CC[C@H](C)N1CC[NH+]([C@@H]2C[C@@H](CC)CC[C@@H]2O)CC1 ZINC000055069627 523958496 /nfs/dbraw/zinc/95/84/96/523958496.db2.gz NZMBVSDRRBZOHC-JONQDZQNSA-N 1 0 268.445 2.342 10 0 CEAERO COCC[NH2+][C@@H](CO)c1csc2ccccc21 ZINC000054465931 523961179 /nfs/dbraw/zinc/96/11/79/523961179.db2.gz JKGWXIDMMYTQCX-LBPRGKRZSA-N 1 0 251.351 2.171 10 0 CEAERO C[N@@H+]1CC[C@@H](Nc2nnc(Cl)c3ccccc32)C1 ZINC000050529823 523969437 /nfs/dbraw/zinc/96/94/37/523969437.db2.gz VONUPYIVGQZHEC-SECBINFHSA-N 1 0 262.744 2.399 10 0 CEAERO CC[C@H](C)NC(=O)COc1cccc2c1CC[C@H]2[NH2+]C ZINC000062799381 523974378 /nfs/dbraw/zinc/97/43/78/523974378.db2.gz VLHDUBVGNVMXCD-SMDDNHRTSA-N 1 0 276.380 2.187 10 0 CEAERO COc1ccc(CN(C)C(=O)C[C@@H]2CCCC[NH2+]2)cc1 ZINC000048895000 523995334 /nfs/dbraw/zinc/99/53/34/523995334.db2.gz KPBGBESLWGXYLG-AWEZNQCLSA-N 1 0 276.380 2.186 10 0 CEAERO CN1CCc2cc([C@@H](O)[C@@H]3CCCCC[NH2+]3)ccc21 ZINC000070319851 523998193 /nfs/dbraw/zinc/99/81/93/523998193.db2.gz LAVBTWCPWPSZLQ-GOEBONIOSA-N 1 0 260.381 2.245 10 0 CEAERO CNC(=O)CCCOc1ccc2ccccc2c1CC[NH3+] ZINC000068820072 524065643 /nfs/dbraw/zinc/06/56/43/524065643.db2.gz IUWVIKSGTKHTMC-UHFFFAOYSA-N 1 0 286.375 2.246 10 0 CEAERO Cc1ccc(C)c(S(=O)(=O)C2CCC([NH3+])CC2)c1 ZINC000055143891 524185737 /nfs/dbraw/zinc/18/57/37/524185737.db2.gz RCNHPKUHUJJOKZ-UHFFFAOYSA-N 1 0 267.394 2.347 10 0 CEAERO COc1ccc(Cl)cc1COC[C@@H]1CC[NH2+]C1 ZINC000051888466 524210843 /nfs/dbraw/zinc/21/08/43/524210843.db2.gz NSUHRECIABPZIB-SNVBAGLBSA-N 1 0 255.745 2.475 10 0 CEAERO Cc1cc(C)c(C(N)=[NH2+])c(-n2ccc(C(C)C)n2)n1 ZINC000052884378 524217498 /nfs/dbraw/zinc/21/74/98/524217498.db2.gz QUAAUGOTPGMZOJ-UHFFFAOYSA-N 1 0 257.341 2.292 10 0 CEAERO C[C@H]1CCN(C(=O)CCCc2cccs2)C[C@@H]1[NH3+] ZINC000070145480 524236085 /nfs/dbraw/zinc/23/60/85/524236085.db2.gz MZCHGBNPRSJOBS-AAEUAGOBSA-N 1 0 266.410 2.267 10 0 CEAERO COc1ccc(Cl)cc1NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000163825838 524238410 /nfs/dbraw/zinc/23/84/10/524238410.db2.gz QABARCDTORCDRQ-MRVPVSSYSA-N 1 0 268.744 2.143 10 0 CEAERO C[C@H](CCc1ccccc1)NC(=O)c1cc[nH+]c(NN)c1 ZINC000051119435 524248040 /nfs/dbraw/zinc/24/80/40/524248040.db2.gz MSCNUYSEPUMQTH-GFCCVEGCSA-N 1 0 284.363 2.118 10 0 CEAERO C[C@@H]1CCC[C@@H](C[NH3+])N1Cc1nc(C(C)(C)C)no1 ZINC000070155224 524285372 /nfs/dbraw/zinc/28/53/72/524285372.db2.gz QYHMGXVWSBLREG-MNOVXSKESA-N 1 0 266.389 2.069 10 0 CEAERO Cc1ccc(CCC(=O)N[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000052946109 524300760 /nfs/dbraw/zinc/30/07/60/524300760.db2.gz HHGXEBFHGYKGCV-GJZGRUSLSA-N 1 0 260.381 2.314 10 0 CEAERO C[C@@H](CN1C(=S)N=NC1C1CC1)C[NH+]1CCCC1 ZINC000062079442 524313578 /nfs/dbraw/zinc/31/35/78/524313578.db2.gz HYAFLLOFAJFGMB-SNVBAGLBSA-N 1 0 266.414 2.176 10 0 CEAERO C[C@H]1CC[C@H](C(=O)N2CC[NH+](CCC(C)(C)C)CC2)O1 ZINC000150736915 524378772 /nfs/dbraw/zinc/37/87/72/524378772.db2.gz JVBJOASTELYJLG-UONOGXRCSA-N 1 0 282.428 2.134 10 0 CEAERO C[C@H]1CC[C@H](C[NH3+])CN1Cc1noc(-c2cccs2)n1 ZINC000070182039 524406449 /nfs/dbraw/zinc/40/64/49/524406449.db2.gz VTMZNVMQFVPCQM-WDEREUQCSA-N 1 0 292.408 2.357 10 0 CEAERO Cc1cc(C)cc(NC(=O)c2ccc(NN)[nH+]c2)c1 ZINC000051096676 524434137 /nfs/dbraw/zinc/43/41/37/524434137.db2.gz XBYXJHGSRFKOAN-UHFFFAOYSA-N 1 0 256.309 2.236 10 0 CEAERO C[C@@H](CCCC(F)(F)F)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000163455722 524454647 /nfs/dbraw/zinc/45/46/47/524454647.db2.gz FFAAQXGTTRQYMQ-WDEREUQCSA-N 1 0 268.323 2.028 10 0 CEAERO Cc1cc(C)n(-c2cc(C(N)=[NH2+])c3ccccc3n2)n1 ZINC000068798092 524475695 /nfs/dbraw/zinc/47/56/95/524475695.db2.gz IVZZOVOCAPPZAH-UHFFFAOYSA-N 1 0 265.320 2.321 10 0 CEAERO C[C@H](C[NH2+]C1CC1)CN1CCN(c2ccccc2)CC1 ZINC000052417301 524479941 /nfs/dbraw/zinc/47/99/41/524479941.db2.gz QMJJXTYQUVYKKK-OAHLLOKOSA-N 1 0 273.424 2.197 10 0 CEAERO C[C@@H](CC[NH2+]C(C)(C)C)N(C)Cc1cnn(C)c1 ZINC000052570469 524496339 /nfs/dbraw/zinc/49/63/39/524496339.db2.gz PRUQSIOQFIHRLQ-LBPRGKRZSA-N 1 0 252.406 2.019 10 0 CEAERO COc1ccc(NC(=O)C[NH2+]C2CCCC2)cc1C ZINC000049531996 524496928 /nfs/dbraw/zinc/49/69/28/524496928.db2.gz AIIIURWFWMCAEK-UHFFFAOYSA-N 1 0 262.353 2.474 10 0 CEAERO COc1ccc(NC(=O)C[C@@H]2CCCC[NH2+]2)c(C)c1 ZINC000061568479 524518867 /nfs/dbraw/zinc/51/88/67/524518867.db2.gz DUEIOPPRYQENMY-LBPRGKRZSA-N 1 0 262.353 2.474 10 0 CEAERO C[C@@H]1CCN(c2nc(C(C)(C)C)ns2)C[C@@H]1C[NH3+] ZINC000163993407 524525700 /nfs/dbraw/zinc/52/57/00/524525700.db2.gz BIPOTJXYLAMUMU-ZJUUUORDSA-N 1 0 268.430 2.257 10 0 CEAERO C[C@H]1CN(CC2(C[NH2+]C(C)(C)C)CCOCC2)C[C@H](C)O1 ZINC000052180771 524584978 /nfs/dbraw/zinc/58/49/78/524584978.db2.gz TVEGOGYPSOIJKC-GJZGRUSLSA-N 1 0 298.471 2.281 10 0 CEAERO C[C@@H](C[NH+]1CCCC1)NC(=O)c1cccc2c1NCCC2 ZINC000050957956 524593377 /nfs/dbraw/zinc/59/33/77/524593377.db2.gz KCGRLUNIPQNWRK-ZDUSSCGKSA-N 1 0 287.407 2.259 10 0 CEAERO Cc1cc(C)nc(S[C@@H]([C@H](C)[NH3+])C(F)(F)F)n1 ZINC000051607284 524601400 /nfs/dbraw/zinc/60/14/00/524601400.db2.gz YVEVLTOVFIHDNC-YUMQZZPRSA-N 1 0 265.304 2.464 10 0 CEAERO Cc1cc(C)nc(SCc2cc[nH+]c(NN)c2)n1 ZINC000052731953 524601419 /nfs/dbraw/zinc/60/14/19/524601419.db2.gz QEZIGFFZGDZONA-UHFFFAOYSA-N 1 0 261.354 2.066 10 0 CEAERO C[C@@H](C[NH+]1CCCCC1)Nc1ncccc1C(N)=S ZINC000049502466 524610810 /nfs/dbraw/zinc/61/08/10/524610810.db2.gz RQFLZCBSGQQRRE-NSHDSACASA-N 1 0 278.425 2.002 10 0 CEAERO C[C@H]1CN(Cc2cn3ccccc3n2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000068699501 524639626 /nfs/dbraw/zinc/63/96/26/524639626.db2.gz GPRLIBKTMJKWQR-SUMWQHHRSA-N 1 0 284.407 2.297 10 0 CEAERO Cc1cccc(NC(=O)[C@](C)([NH3+])c2ccccc2)n1 ZINC000052881305 524659022 /nfs/dbraw/zinc/65/90/22/524659022.db2.gz YHQCOTABBHLHLW-OAHLLOKOSA-N 1 0 255.321 2.203 10 0 CEAERO COc1ccc(NCC2CC[NH+](C)CC2)cc1O ZINC000054242489 524677256 /nfs/dbraw/zinc/67/72/56/524677256.db2.gz AWRFRIITLBEHEU-UHFFFAOYSA-N 1 0 250.342 2.155 10 0 CEAERO C[C@H]1COCCN1Cc1cc(C[NH2+]C(C)(C)C)co1 ZINC000052475988 524720650 /nfs/dbraw/zinc/72/06/50/524720650.db2.gz KCACZDWFYURFSH-LBPRGKRZSA-N 1 0 266.385 2.388 10 0 CEAERO C[C@H](Cc1ccsc1)NC(=O)C1CCC([NH3+])CC1 ZINC000049185155 524759214 /nfs/dbraw/zinc/75/92/14/524759214.db2.gz LDYAXLFDGWJECJ-QFWMXSHPSA-N 1 0 266.410 2.313 10 0 CEAERO Cc1ccc(F)c(C(=O)NCC[C@H]2CCCC[NH2+]2)c1 ZINC000052981587 524792054 /nfs/dbraw/zinc/79/20/54/524792054.db2.gz NCUBAWQVADFHOP-GFCCVEGCSA-N 1 0 264.344 2.396 10 0 CEAERO Cc1ccc(F)c(C(=O)Nc2nc3c(s2)C[NH2+]CC3)c1 ZINC000052998563 524801413 /nfs/dbraw/zinc/80/14/13/524801413.db2.gz PUXHRULQTXTOFA-UHFFFAOYSA-N 1 0 291.351 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525621749 /nfs/dbraw/zinc/62/17/49/525621749.db2.gz BXMRTXHJKZAVSA-JTQLQIEISA-N 1 0 270.373 2.353 10 0 CEAERO C[C@H]([NH2+][C@H]1CCO[C@@H](C)C1)c1ccc(NC(N)=O)cc1 ZINC000070356629 525622737 /nfs/dbraw/zinc/62/27/37/525622737.db2.gz HIFCZCOSDGQDHG-MJVIPROJSA-N 1 0 277.368 2.395 10 0 CEAERO C[C@@H]1[C@@H](C)CCCN1S(=O)(=O)c1ccc(C[NH3+])s1 ZINC000050567470 525642613 /nfs/dbraw/zinc/64/26/13/525642613.db2.gz LACMQMUTFUQBAZ-VHSXEESVSA-N 1 0 288.438 2.016 10 0 CEAERO COc1ccc2[nH]c(Sc3ccnc(C(N)=[NH2+])c3)nc2c1 ZINC000061814692 525682039 /nfs/dbraw/zinc/68/20/39/525682039.db2.gz FXZARXUYAUABIT-UHFFFAOYSA-N 1 0 299.359 2.402 10 0 CEAERO C[C@H](Nc1nccn(C2CC2)c1=O)c1ccc(C[NH3+])cc1 ZINC000061759103 525685794 /nfs/dbraw/zinc/68/57/94/525685794.db2.gz BGXMFGPSMNBZME-NSHDSACASA-N 1 0 284.363 2.210 10 0 CEAERO Cc1cc2ncnn2c(N[C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000063214384 525686525 /nfs/dbraw/zinc/68/65/25/525686525.db2.gz GGBJHZLWACZONR-NEPJUHHUSA-N 1 0 259.357 2.110 10 0 CEAERO C[C@@]([NH3+])(C(=O)N1CC[C@H](c2ccccc2)C1)C1CC1 ZINC000050600204 525746564 /nfs/dbraw/zinc/74/65/64/525746564.db2.gz LNJSGOSDWPCBHS-BBRMVZONSA-N 1 0 258.365 2.130 10 0 CEAERO Cc1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(C(C)C)C2=O)s1 ZINC000049163206 525750666 /nfs/dbraw/zinc/75/06/66/525750666.db2.gz UWEJBRPAGIWSOK-MNOVXSKESA-N 1 0 280.393 2.243 10 0 CEAERO C[C@@]1(C(=O)N2CC=C(c3ccccc3)CC2)CC[NH2+]C1 ZINC000062894920 525783859 /nfs/dbraw/zinc/78/38/59/525783859.db2.gz XITGUWQKUFJUIC-QGZVFWFLSA-N 1 0 270.376 2.302 10 0 CEAERO Cc1ccc(-c2n[nH]cc2CN[C@H](C)CC[NH+](C)C)o1 ZINC000049554276 525796145 /nfs/dbraw/zinc/79/61/45/525796145.db2.gz LRPBEGAIAXCKQK-LLVKDONJSA-N 1 0 276.384 2.408 10 0 CEAERO C[C@H](O)c1cc(F)ccc1N(C)CC[NH+]1CCCC1 ZINC000063052328 525852100 /nfs/dbraw/zinc/85/21/00/525852100.db2.gz JYKKDUHCMOSHEG-LBPRGKRZSA-N 1 0 266.360 2.411 10 0 CEAERO C[C@@]1(c2ccc(F)c(Br)c2)C[C@@]1(C[NH3+])CO ZINC000062670136 525889837 /nfs/dbraw/zinc/88/98/37/525889837.db2.gz PUPUDAOYIGOFKW-NWDGAFQWSA-N 1 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LOJQZNDOYGMTBS-UHFFFAOYSA-N 1 0 288.438 2.148 10 0 CEAERO Cc1cnc(NC(=O)[C@H](C[NH3+])c2ccccc2)s1 ZINC000061610835 526085963 /nfs/dbraw/zinc/08/59/63/526085963.db2.gz SRWOPGOCLAQIAU-LLVKDONJSA-N 1 0 261.350 2.133 10 0 CEAERO Cc1ccc(C(=O)N2[C@H](C)C[NH2+]C[C@H]2C)cc1Cl ZINC000069133348 526141921 /nfs/dbraw/zinc/14/19/21/526141921.db2.gz GNTRSQIIDCMIDA-GHMZBOCLSA-N 1 0 266.772 2.471 10 0 CEAERO C[C@H](c1cccs1)N(C)Cc1cc(C[NH3+])no1 ZINC000052506781 526152954 /nfs/dbraw/zinc/15/29/54/526152954.db2.gz HLQBUHZNCIOYAQ-SECBINFHSA-N 1 0 251.355 2.388 10 0 CEAERO COc1cccc(N2CC[NH+]([C@@H](C)CC(C)=O)CC2)c1 ZINC000068610303 526154386 /nfs/dbraw/zinc/15/43/86/526154386.db2.gz ZAAZYGAPNGIIRN-ZDUSSCGKSA-N 1 0 276.380 2.185 10 0 CEAERO C[C@H](c1ccncc1)N(C)C(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000052882312 526159068 /nfs/dbraw/zinc/15/90/68/526159068.db2.gz HPOUATNQFLKGNF-DYVFJYSZSA-N 1 0 283.375 2.475 10 0 CEAERO C[C@@H](c1nc(-c2cnccn2)no1)[C@@H]([NH3+])c1ccccc1 ZINC000157959043 526164792 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ZINC000062790953 526320014 /nfs/dbraw/zinc/32/00/14/526320014.db2.gz YMWDYDAYRXSHBR-SNVBAGLBSA-N 1 0 283.690 2.190 10 0 CEAERO Cc1nnc(COc2ccccc2C[NH2+]CC(C)C)n1C ZINC000062729412 526348703 /nfs/dbraw/zinc/34/87/03/526348703.db2.gz VOBZMDVLRCMNKA-UHFFFAOYSA-N 1 0 288.395 2.448 10 0 CEAERO S=C1N=NC(c2ccccn2)N1CC[NH+]1CCCCC1 ZINC000049575339 526390042 /nfs/dbraw/zinc/39/00/42/526390042.db2.gz RPXYXTJRUFIUTE-UHFFFAOYSA-N 1 0 289.408 2.115 10 0 CEAERO Cc1nnc(Sc2cc(Cl)ccc2C(N)=[NH2+])o1 ZINC000062789263 526391236 /nfs/dbraw/zinc/39/12/36/526391236.db2.gz SPANQPZMJWADBC-UHFFFAOYSA-N 1 0 268.729 2.467 10 0 CEAERO O=C(CCCc1cccs1)N[C@@H]1CCCC[NH2+]C1 ZINC000070120097 526461800 /nfs/dbraw/zinc/46/18/00/526461800.db2.gz ILABLHROPABGHK-GFCCVEGCSA-N 1 0 266.410 2.329 10 0 CEAERO O=C(CC[N@H+]1CCC[C@@H]1CCCO)Nc1cccc(F)c1 ZINC000052762199 526486170 /nfs/dbraw/zinc/48/61/70/526486170.db2.gz ABKDVLYUMLWRSY-OAHLLOKOSA-N 1 0 294.370 2.391 10 0 CEAERO c1ccc2c(c1)CN(CC[NH2+]C1CCCC1)CCO2 ZINC000063013482 526507144 /nfs/dbraw/zinc/50/71/44/526507144.db2.gz DQLUMVPDCUKCOS-UHFFFAOYSA-N 1 0 260.381 2.413 10 0 CEAERO c1ccc2nc(-c3noc([C@@H]4CC[NH2+]C4)n3)ccc2c1 ZINC000063075297 526516765 /nfs/dbraw/zinc/51/67/65/526516765.db2.gz LSUOSUIEOSWSNE-LLVKDONJSA-N 1 0 266.304 2.362 10 0 CEAERO c1cnc2ccc(-c3noc([C@@H]4CC[NH2+]C4)n3)cc2c1 ZINC000062801539 526544546 /nfs/dbraw/zinc/54/45/46/526544546.db2.gz JVSOFWVWSXIOAV-GFCCVEGCSA-N 1 0 266.304 2.362 10 0 CEAERO O=C(CC[C@@H]1CCCC[NH2+]1)N(CCO)C1CCCCC1 ZINC000050946703 526547407 /nfs/dbraw/zinc/54/74/07/526547407.db2.gz ZFCPMFMEJVPJIN-AWEZNQCLSA-N 1 0 282.428 2.062 10 0 CEAERO O=C(CC[C@@H]1CCCC[NH2+]1)NC[C@H]1Cc2ccccc2O1 ZINC000050948165 526548098 /nfs/dbraw/zinc/54/80/98/526548098.db2.gz LJACZIUNTXKUIH-LSDHHAIUSA-N 1 0 288.391 2.029 10 0 CEAERO O=C(CC[C@H]1CCCC[NH2+]1)N1CCc2ccccc21 ZINC000050940125 526564181 /nfs/dbraw/zinc/56/41/81/526564181.db2.gz DOIPAGFGMHOUJG-CQSZACIVSA-N 1 0 258.365 2.498 10 0 CEAERO O=C(CC[C@H]1CCCC[NH2+]1)N1Cc2ccccc2C1 ZINC000050952222 526564911 /nfs/dbraw/zinc/56/49/11/526564911.db2.gz GTCGSBFPHURHSZ-OAHLLOKOSA-N 1 0 258.365 2.451 10 0 CEAERO O=C(CC[C@H]1CCCC[NH2+]1)NCc1ccc(F)cc1 ZINC000050940043 526565403 /nfs/dbraw/zinc/56/54/03/526565403.db2.gz CQLYWOGHSKJRAA-CQSZACIVSA-N 1 0 264.344 2.364 10 0 CEAERO c1csc(-c2nccn2CC[NH2+]C2CCOCC2)c1 ZINC000062767985 526575331 /nfs/dbraw/zinc/57/53/31/526575331.db2.gz VOEKXPNTQCSJGK-UHFFFAOYSA-N 1 0 277.393 2.380 10 0 CEAERO O=C(NCc1ccc(F)c(F)c1)c1ccc2c(c1)C[NH2+]C2 ZINC000156741043 526669227 /nfs/dbraw/zinc/66/92/27/526669227.db2.gz YQOIKQQBBMJTEF-UHFFFAOYSA-N 1 0 288.297 2.498 10 0 CEAERO O=C(c1ccc2c(c1)CCC2)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000049515939 526722793 /nfs/dbraw/zinc/72/27/93/526722793.db2.gz XAVYHEJEWYUZTQ-MRXNPFEDSA-N 1 0 270.376 2.096 10 0 CEAERO Cc1nc(C)c([C@H](C)NC(=O)C[NH2+]C(C)(C)C)s1 ZINC000051376677 526751771 /nfs/dbraw/zinc/75/17/71/526751771.db2.gz FZWAVDFYHAVORL-VIFPVBQESA-N 1 0 269.414 2.325 10 0 CEAERO NC(=[NH2+])c1cc(COc2ccc(F)cc2F)ccn1 ZINC000068762392 526820029 /nfs/dbraw/zinc/82/00/29/526820029.db2.gz QVOGVEXLJIIMCF-UHFFFAOYSA-N 1 0 263.247 2.223 10 0 CEAERO NC(=[NH2+])c1ccc(Cl)cc1-n1cc(Cl)cn1 ZINC000062789032 526821870 /nfs/dbraw/zinc/82/18/70/526821870.db2.gz FAQKQIQPWWWNIM-UHFFFAOYSA-N 1 0 255.108 2.463 10 0 CEAERO NC(=[NH2+])c1cccnc1OCCCc1ccccc1 ZINC000045627809 526824628 /nfs/dbraw/zinc/82/46/28/526824628.db2.gz DLFIHIBZOUHHCZ-UHFFFAOYSA-N 1 0 255.321 2.377 10 0 CEAERO Cc1sc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1N ZINC000049551041 526872942 /nfs/dbraw/zinc/87/29/42/526872942.db2.gz DNCJCZQRWKJYOD-LLVKDONJSA-N 1 0 283.441 2.345 10 0 CEAERO Cc1nc(CNCCC[N@H+]2CCCC[C@H]2C)c[nH]1 ZINC000054797956 526887618 /nfs/dbraw/zinc/88/76/18/526887618.db2.gz LKHUJAWQKAFKFY-GFCCVEGCSA-N 1 0 250.390 2.072 10 0 CEAERO Cc1nc(Cc2nc(C)cc(C[C@@H](C)[NH3+])n2)cs1 ZINC000055296913 526928800 /nfs/dbraw/zinc/92/88/00/526928800.db2.gz LUNSXHHDCQGLPA-MRVPVSSYSA-N 1 0 262.382 2.030 10 0 CEAERO Clc1ccc(-c2cc(N3CC[NH2+]CC3)n[nH]2)s1 ZINC000062669984 526932570 /nfs/dbraw/zinc/93/25/70/526932570.db2.gz MQWYGQKDTHNIPJ-UHFFFAOYSA-N 1 0 268.773 2.201 10 0 CEAERO Cc1nc(N(C)C2CCOCC2)sc1[C@H](C)[NH3+] ZINC000054895971 526950723 /nfs/dbraw/zinc/95/07/23/526950723.db2.gz TZNGXBMCSHZXOJ-QMMMGPOBSA-N 1 0 255.387 2.086 10 0 CEAERO Cc1nc(N2CC[NH+](C(C)(C)C)CC2)sc1[C@H](C)O ZINC000054928191 526967490 /nfs/dbraw/zinc/96/74/90/526967490.db2.gz FQHCXXNLHAIRCQ-NSHDSACASA-N 1 0 283.441 2.425 10 0 CEAERO Cc1nc(N2CCOC(C)(C)C2)sc1[C@H](C)[NH3+] ZINC000054895947 526970656 /nfs/dbraw/zinc/97/06/56/526970656.db2.gz GHGCGHVWQGDHDG-QMMMGPOBSA-N 1 0 255.387 2.086 10 0 CEAERO Clc1cccc(OCC[NH2+]C[C@H]2CCCO2)c1 ZINC000049633309 526980054 /nfs/dbraw/zinc/98/00/54/526980054.db2.gz INKCWOHTRIVYDX-CYBMUJFWSA-N 1 0 255.745 2.487 10 0 CEAERO Clc1cccc(OCC[NH2+]C[C@@H]2CCCO2)c1 ZINC000049633308 526980513 /nfs/dbraw/zinc/98/05/13/526980513.db2.gz INKCWOHTRIVYDX-ZDUSSCGKSA-N 1 0 255.745 2.487 10 0 CEAERO NC(=O)[C@H](CCSc1cccc(Cl)c1)[NH2+]C1CC1 ZINC000062603385 526992705 /nfs/dbraw/zinc/99/27/05/526992705.db2.gz IIRIDLPBOYFKOZ-LBPRGKRZSA-N 1 0 284.812 2.428 10 0 CEAERO O=C1CCc2ccccc2N1CCC[C@@H]1CCC[NH2+]1 ZINC000052764822 526999522 /nfs/dbraw/zinc/99/95/22/526999522.db2.gz CVWJISLQOUJQIX-AWEZNQCLSA-N 1 0 258.365 2.498 10 0 CEAERO NC(=O)[C@]1([NH2+]C2CCCCCC2)CCCSC1 ZINC000061590462 527016159 /nfs/dbraw/zinc/01/61/59/527016159.db2.gz CKJMFJVUJWUSCE-ZDUSSCGKSA-N 1 0 256.415 2.050 10 0 CEAERO NC(=O)[C@](CSCC1CCCC1)([NH2+]C1CC1)C1CC1 ZINC000069190746 527016782 /nfs/dbraw/zinc/01/67/82/527016782.db2.gz BPIQWMTVOYKQDQ-OAHLLOKOSA-N 1 0 282.453 2.296 10 0 CEAERO NC(=O)c1c(Cl)cccc1N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000052906011 527018916 /nfs/dbraw/zinc/01/89/16/527018916.db2.gz LPNCJXZRPBVQBV-VHSXEESVSA-N 1 0 267.760 2.121 10 0 CEAERO NC(=O)c1cc(Cl)ccc1OCC[C@@H]1CCCC[NH2+]1 ZINC000052859380 527026712 /nfs/dbraw/zinc/02/67/12/527026712.db2.gz JAYXBVUICUYNFF-NSHDSACASA-N 1 0 282.771 2.350 10 0 CEAERO O=C1NCCCC[C@@H]1[NH2+][C@@H](c1cccs1)C1CC1 ZINC000051100091 527061881 /nfs/dbraw/zinc/06/18/81/527061881.db2.gz YWHLUDSOYRCEPK-WCQYABFASA-N 1 0 264.394 2.458 10 0 CEAERO O=C(Nc1cc(F)cc(F)c1F)[C@@H]1CCCC[NH2+]1 ZINC000061118857 527122890 /nfs/dbraw/zinc/12/28/90/527122890.db2.gz SKVBROTXLBQXDC-VIFPVBQESA-N 1 0 258.243 2.185 10 0 CEAERO [NH3+]C1CCC(C(=O)OCc2ccccc2F)CC1 ZINC000069280898 527139180 /nfs/dbraw/zinc/13/91/80/527139180.db2.gz POVYNMHIAKIWSI-UHFFFAOYSA-N 1 0 251.301 2.386 10 0 CEAERO Cc1[nH]c2ccc(N3CCN(C(=O)C(C)C)CC3)cc2[nH+]1 ZINC000062578626 527139634 /nfs/dbraw/zinc/13/96/34/527139634.db2.gz KDUYKNLGXZWPBN-UHFFFAOYSA-N 1 0 286.379 2.176 10 0 CEAERO Cc1nc2ccccc2n1Cc1cccnc1C[NH3+] ZINC000061656995 527170909 /nfs/dbraw/zinc/17/09/09/527170909.db2.gz NEESRSFUCNOUEA-UHFFFAOYSA-N 1 0 252.321 2.247 10 0 CEAERO [NH3+]CCCc1nnc(C2(c3ccccc3)CCC2)[nH]1 ZINC000062782369 527183111 /nfs/dbraw/zinc/18/31/11/527183111.db2.gz QRYQPAIAPQUQAX-UHFFFAOYSA-N 1 0 256.353 2.166 10 0 CEAERO O=S(=O)(C[C@H]1CCCC[NH2+]1)Nc1ccc(Cl)cc1 ZINC000049630815 527185451 /nfs/dbraw/zinc/18/54/51/527185451.db2.gz OVGPVVKWVGCUKH-GFCCVEGCSA-N 1 0 288.800 2.224 10 0 CEAERO O=S(=O)(Cc1ccc(Cl)cc1)C[C@H]1CCC[NH2+]C1 ZINC000058259296 527189932 /nfs/dbraw/zinc/18/99/32/527189932.db2.gz ADTALLXJMNQDMK-LBPRGKRZSA-N 1 0 287.812 2.254 10 0 CEAERO [NH3+]CCc1ccc(CNC(=O)c2ccc(F)c(F)c2)cc1 ZINC000052898757 527196286 /nfs/dbraw/zinc/19/62/86/527196286.db2.gz DNNIDIMDCHNRKW-UHFFFAOYSA-N 1 0 290.313 2.396 10 0 CEAERO [NH3+]CCc1ccnc(-c2ccc(Br)cc2)n1 ZINC000054833686 527197913 /nfs/dbraw/zinc/19/79/13/527197913.db2.gz JIWSYQGNAJWQFC-UHFFFAOYSA-N 1 0 278.153 2.407 10 0 CEAERO [NH3+]CCc1cccc(C(=O)N2CCc3ccccc3C2)c1 ZINC000053661766 527198051 /nfs/dbraw/zinc/19/80/51/527198051.db2.gz NSEXNLBCOFYEQS-UHFFFAOYSA-N 1 0 280.371 2.386 10 0 CEAERO [NH3+]CCc1cccc(OCCOCC(F)(F)F)c1 ZINC000049311782 527198173 /nfs/dbraw/zinc/19/81/73/527198173.db2.gz RWIGAQDORDYUQG-UHFFFAOYSA-N 1 0 263.259 2.146 10 0 CEAERO [NH3+]CCc1nccn1-c1ncc(C(F)(F)F)cc1Cl ZINC000052304339 527198557 /nfs/dbraw/zinc/19/85/57/527198557.db2.gz UNIVIRYZOPNSKQ-UHFFFAOYSA-N 1 0 290.676 2.441 10 0 CEAERO [NH3+]C[C@@]1(c2ccc(F)cc2)COc2ccccc2N1 ZINC000062714088 527222957 /nfs/dbraw/zinc/22/29/57/527222957.db2.gz RKNBICKZQOXEEL-HNNXBMFYSA-N 1 0 258.296 2.484 10 0 CEAERO [NH3+]C[C@H](c1cc(F)c(F)c(F)c1)N1CCSCC1 ZINC000062709651 527228477 /nfs/dbraw/zinc/22/84/77/527228477.db2.gz CKHZYRYIMHLRCX-LLVKDONJSA-N 1 0 276.327 2.153 10 0 CEAERO [NH3+]C[C@H](Sc1nnc2ccccn21)c1ccco1 ZINC000061406370 527228711 /nfs/dbraw/zinc/22/87/11/527228711.db2.gz AXEUYPHDVLGQIF-JTQLQIEISA-N 1 0 260.322 2.114 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000061884405 527235023 /nfs/dbraw/zinc/23/50/23/527235023.db2.gz SESYXSDZNPMXBP-JQOLXWHASA-N 1 0 291.439 2.382 10 0 CEAERO [NH3+]C[C@H]1CC[C@H](COc2cccc3cccnc32)O1 ZINC000052693904 527240823 /nfs/dbraw/zinc/24/08/23/527240823.db2.gz HZGAFFUNWKGVFF-CHWSQXEVSA-N 1 0 258.321 2.120 10 0 CEAERO NC(=O)c1ccccc1Oc1c(F)cc(C[NH3+])cc1F ZINC000062719990 527249192 /nfs/dbraw/zinc/24/91/92/527249192.db2.gz URXPAOMQLHKAJO-UHFFFAOYSA-N 1 0 278.258 2.315 10 0 CEAERO [NH3+]Cc1ccc(CN2CCN(c3ccccc3F)CC2)o1 ZINC000052374708 527253708 /nfs/dbraw/zinc/25/37/08/527253708.db2.gz GXQMARVEAVFAGW-UHFFFAOYSA-N 1 0 289.354 2.200 10 0 CEAERO [NH3+]Cc1ccc(OC2CCOCC2)c(Br)c1 ZINC000068955218 527255848 /nfs/dbraw/zinc/25/58/48/527255848.db2.gz RZFLLVKYBTZPAC-UHFFFAOYSA-N 1 0 286.169 2.466 10 0 CEAERO [NH3+]Cc1cccc(C(=O)NCc2ccc(F)c(F)c2)c1 ZINC000049577192 527258486 /nfs/dbraw/zinc/25/84/86/527258486.db2.gz PTYWGSZBUIRTOJ-UHFFFAOYSA-N 1 0 276.286 2.354 10 0 CEAERO [NH3+]Cc1cccc(NC(=O)c2ccc3nccnc3c2)c1 ZINC000061410254 527260490 /nfs/dbraw/zinc/26/04/90/527260490.db2.gz KSDPDEKUAWVGNA-UHFFFAOYSA-N 1 0 278.315 2.341 10 0 CEAERO [NH3+]Cc1ncccc1CN1CCCc2ccccc21 ZINC000061656439 527265229 /nfs/dbraw/zinc/26/52/29/527265229.db2.gz OOCDHHAOAXSLLT-UHFFFAOYSA-N 1 0 253.349 2.493 10 0 CEAERO NNc1cc(COc2cc(F)cc(F)c2)cc[nH+]1 ZINC000054934287 527274257 /nfs/dbraw/zinc/27/42/57/527274257.db2.gz JSOOEYMZWONXBS-UHFFFAOYSA-N 1 0 251.236 2.224 10 0 CEAERO NNc1cc(COc2cccc3cccnc32)cc[nH+]1 ZINC000052729554 527274472 /nfs/dbraw/zinc/27/44/72/527274472.db2.gz JCMRCQYIIKBAOC-UHFFFAOYSA-N 1 0 266.304 2.494 10 0 CEAERO NNc1cc(COc2cccc(F)c2F)cc[nH+]1 ZINC000062654040 527274583 /nfs/dbraw/zinc/27/45/83/527274583.db2.gz CONZFPXLHKQYPS-UHFFFAOYSA-N 1 0 251.236 2.224 10 0 CEAERO O=C(Nc1ccc2c(c1)C[NH2+]CC2)c1cncc(F)c1 ZINC000156718058 527280668 /nfs/dbraw/zinc/28/06/68/527280668.db2.gz YXTQLMSOIVMVJA-UHFFFAOYSA-N 1 0 271.295 2.119 10 0 CEAERO Cc1nccc(C[NH2+][C@H](Cn2ccnc2)C(C)(C)C)n1 ZINC000054790645 527339339 /nfs/dbraw/zinc/33/93/39/527339339.db2.gz BGSAUHOZWJVFQS-CQSZACIVSA-N 1 0 273.384 2.186 10 0 CEAERO [NH3+][C@@H]1CCCN(c2cccc(Cl)c2Cl)C1=O ZINC000070062179 527348390 /nfs/dbraw/zinc/34/83/90/527348390.db2.gz FXKJKOQWFBLXAR-MRVPVSSYSA-N 1 0 259.136 2.448 10 0 CEAERO [NH3+][C@H](c1noc(-c2ccc3nccnc3c2)n1)C1CC1 ZINC000061418832 527392920 /nfs/dbraw/zinc/39/29/20/527392920.db2.gz XDTZZFVGCKAWPR-LBPRGKRZSA-N 1 0 267.292 2.090 10 0 CEAERO [NH3+][C@H]1CCCCC[C@H]1CN1CCN(CC(F)(F)F)CC1 ZINC000061947734 527395199 /nfs/dbraw/zinc/39/51/99/527395199.db2.gz NVAUFRXSRFEYKO-STQMWFEESA-N 1 0 293.377 2.074 10 0 CEAERO [NH3+][C@H]1CCCCC[C@H]1NC(=O)c1ccc(F)cc1 ZINC000063211939 527395463 /nfs/dbraw/zinc/39/54/63/527395463.db2.gz WXNSHLRTRFGXEG-QWHCGFSZSA-N 1 0 250.317 2.216 10 0 CEAERO [NH3+][C@H]1CCCc2cc(OCc3ncccn3)ccc21 ZINC000054458538 527409718 /nfs/dbraw/zinc/40/97/18/527409718.db2.gz FEITWUIOLXEMAQ-AWEZNQCLSA-N 1 0 255.321 2.392 10 0 CEAERO Nc1cc(Br)cnc1NCCC[NH+]1CCCC1 ZINC000062069988 527441748 /nfs/dbraw/zinc/44/17/48/527441748.db2.gz SNURDTWOJJFMLV-UHFFFAOYSA-N 1 0 299.216 2.324 10 0 CEAERO Cn1ccnc1SCC[NH2+]CCc1ccsc1 ZINC000053612776 527447565 /nfs/dbraw/zinc/44/75/65/527447565.db2.gz FAQNMWKKACGHFG-UHFFFAOYSA-N 1 0 267.423 2.406 10 0 CEAERO Cc1nccn1Cc1csc(C[NH2+]C(C)C)n1 ZINC000052576269 527450236 /nfs/dbraw/zinc/45/02/36/527450236.db2.gz RKNJGXDQFCQULO-UHFFFAOYSA-N 1 0 250.371 2.194 10 0 CEAERO Nc1cc(Cl)ccc1C[N@@H+]1CCCC[C@@H]1CO ZINC000050443028 527451979 /nfs/dbraw/zinc/45/19/79/527451979.db2.gz UHWNZNUGGUGURO-GFCCVEGCSA-N 1 0 254.761 2.269 10 0 CEAERO Nc1cc(F)ccc1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000069399814 527455299 /nfs/dbraw/zinc/45/52/99/527455299.db2.gz WUKSEWUQNHBFQL-HNNXBMFYSA-N 1 0 277.387 2.468 10 0 CEAERO OCC1(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)CCOCC1 ZINC000052199426 527522532 /nfs/dbraw/zinc/52/25/32/527522532.db2.gz KJUXBCJGMLRLRQ-LSDHHAIUSA-N 1 0 267.413 2.288 10 0 CEAERO OCCC[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)OCO2 ZINC000052762111 527546206 /nfs/dbraw/zinc/54/62/06/527546206.db2.gz AUXXBPGXQDUCAX-CYBMUJFWSA-N 1 0 263.337 2.152 10 0 CEAERO OCCC[C@H]1CCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC000052759531 527546625 /nfs/dbraw/zinc/54/66/25/527546625.db2.gz FZRYIAHVIZZDAI-GFCCVEGCSA-N 1 0 254.761 2.472 10 0 CEAERO Cc1nn(C)c(-n2ncc3ccccc32)c1C[NH2+]C1CC1 ZINC000050526835 527597964 /nfs/dbraw/zinc/59/79/64/527597964.db2.gz SVYHDYDTTHKJCJ-UHFFFAOYSA-N 1 0 281.363 2.319 10 0 CEAERO FC(F)(F)Cc1noc(CC[C@@H]2CCCC[NH2+]2)n1 ZINC000050928240 527673866 /nfs/dbraw/zinc/67/38/66/527673866.db2.gz PACCXDJYCSHIHV-QMMMGPOBSA-N 1 0 263.263 2.249 10 0 CEAERO Cc1nn(C)c(N2CC[C@@H](C)C2)c1C[NH2+]CC(C)C ZINC000062736634 527676998 /nfs/dbraw/zinc/67/69/98/527676998.db2.gz IHKCSTUYOLKEGQ-GFCCVEGCSA-N 1 0 264.417 2.320 10 0 CEAERO CCN(CC)c1ccc(N[C@@H](C)[C@H]2CC[NH2+]C2)cn1 ZINC000400332064 528312768 /nfs/dbraw/zinc/31/27/68/528312768.db2.gz FCNBOKSSNCDYFJ-STQMWFEESA-N 1 0 262.401 2.338 10 0 CEAERO CCOCC[N@@H+]1CCN(Cc2ccn(C(C)C)n2)C[C@@H]1C ZINC000172014236 528753246 /nfs/dbraw/zinc/75/32/46/528753246.db2.gz YOZULQLDPYGCQP-HNNXBMFYSA-N 1 0 294.443 2.007 10 0 CEAERO CCCCc1nc(CN(C)C[C@H]2CCC[N@@H+]2CC)no1 ZINC000175357000 529037892 /nfs/dbraw/zinc/03/78/92/529037892.db2.gz ZYHGAJNGVKHYPL-CYBMUJFWSA-N 1 0 280.416 2.328 10 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274.364 2.102 10 0 CEAERO CC[C@@H]1CN(c2nc3ccccc3n2C)CC[C@H]1[NH3+] ZINC000251734182 574508364 /nfs/dbraw/zinc/50/83/64/574508364.db2.gz KOBKYMUYRJIAAM-VXGBXAGGSA-N 1 0 258.369 2.137 10 0 CEAERO CC1(C)CC2(CC(C)(C)[NH2+]1)NC[C@H]1CCC[C@@H]1O2 ZINC000757146210 574510413 /nfs/dbraw/zinc/51/04/13/574510413.db2.gz RGVOEHIUHASSRE-NEPJUHHUSA-N 1 0 252.402 2.412 10 0 CEAERO CC(C)(C)OC(=O)N(CC[NH3+])OCc1ccccc1 ZINC000725268747 567924156 /nfs/dbraw/zinc/92/41/56/567924156.db2.gz QVRPEJZTHLFWLN-UHFFFAOYSA-N 1 0 266.341 2.314 10 0 CEAERO CCCC(=O)Nc1ncc(CN2CC[C@H]([NH3+])[C@@H](C)C2)s1 ZINC000725272422 567924965 /nfs/dbraw/zinc/92/49/65/567924965.db2.gz QAVQCCDLVNFZQS-JQWIXIFHSA-N 1 0 296.440 2.051 10 0 CEAERO C[NH2+]C[C@H]1CCCN1c1ccc(Br)c(C)n1 ZINC000234382768 623972023 /nfs/dbraw/zinc/97/20/23/623972023.db2.gz SGSGKIUZAIGBOG-SNVBAGLBSA-N 1 0 284.201 2.341 10 0 CEAERO Cc1ccc(Cl)cc1C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000235359971 625343002 /nfs/dbraw/zinc/34/30/02/625343002.db2.gz OOBKZZNEVBPGJT-BXKDBHETSA-N 1 0 252.745 2.068 10 0 CEAERO C[C@@H]1C[C@H](C(=O)NC2C3CC4CC(C3)CC2C4)CC[NH2+]1 ZINC000235375675 625349303 /nfs/dbraw/zinc/34/93/03/625349303.db2.gz FUGLNFJWFBMHET-UDURLJJFSA-N 1 0 276.424 2.315 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1ccc(Cl)c(F)c1 ZINC000261554851 623374008 /nfs/dbraw/zinc/37/40/08/623374008.db2.gz PEPKSSGWOJHSBT-RDDDGLTNSA-N 1 0 256.708 2.041 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)c1ccc(F)c(CSC)c1 ZINC000261753805 623444429 /nfs/dbraw/zinc/44/44/29/623444429.db2.gz NRAIKSVIXQPISH-SECBINFHSA-N 1 0 270.373 2.026 10 0 CEAERO O[C@@H](C[NH2+][C@H]1COc2ccccc21)CC(F)(F)F ZINC000307951754 623512122 /nfs/dbraw/zinc/51/21/22/623512122.db2.gz VDVHLSSVLAALRI-SCZZXKLOSA-N 1 0 261.243 2.023 10 0 CEAERO CCOC(C[NH2+][C@H]1CCc2c1cccc2O)OCC ZINC000093446994 623623102 /nfs/dbraw/zinc/62/31/02/623623102.db2.gz JJYILSZKARONHV-ZDUSSCGKSA-N 1 0 265.353 2.368 10 0 CEAERO C[C@H](O)[C@H](C)[NH2+][C@@H](C)c1ncc(Br)s1 ZINC000308625938 623902802 /nfs/dbraw/zinc/90/28/02/623902802.db2.gz WCVYSEASIBGIDZ-ACZMJKKPSA-N 1 0 279.203 2.326 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)c1ccc(Cl)nn1 ZINC000092665164 624101699 /nfs/dbraw/zinc/10/16/99/624101699.db2.gz RCZNKXLLTIHQRV-JTQLQIEISA-N 1 0 254.765 2.051 10 0 CEAERO C[C@H]1CN(C(=O)c2ccc(C(C)(C)C)cc2)C[C@@H]1[NH3+] ZINC000235687591 625710641 /nfs/dbraw/zinc/71/06/41/625710641.db2.gz OYUFSOHBLXAQKF-FZMZJTMJSA-N 1 0 260.381 2.403 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1OC(F)F ZINC000235298039 624704173 /nfs/dbraw/zinc/70/41/73/624704173.db2.gz FHCMTHXYJAUJHX-CKYFFXLPSA-N 1 0 298.333 2.321 10 0 CEAERO CC(C)n1cncc1C[NH2+]C[C@H]1CCO[C@@H]1c1cn[nH]c1 ZINC000888078212 624705640 /nfs/dbraw/zinc/70/56/40/624705640.db2.gz ZBENJYSYCNKEPM-DOMZBBRYSA-N 1 0 289.383 2.055 10 0 CEAERO C[C@H]1CN(C(=O)c2cccc(C(F)(F)F)c2F)C[C@@H]1[NH3+] ZINC000235657140 624763316 /nfs/dbraw/zinc/76/33/16/624763316.db2.gz NZPYMGDQRFXKAP-XVKPBYJWSA-N 1 0 290.260 2.264 10 0 CEAERO C[C@H]1CN(C(=O)C23CC4CC(CC(C4)C2)C3)C[C@H]1[NH3+] ZINC000235739967 625729880 /nfs/dbraw/zinc/72/98/80/625729880.db2.gz YIJAGUCJUDEPKF-MFRLZJNGSA-N 1 0 262.397 2.008 10 0 CEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(C)c(F)c1 ZINC000166618229 627642419 /nfs/dbraw/zinc/64/24/19/627642419.db2.gz YQVJYXHCBWNSFW-NWDGAFQWSA-N 1 0 251.301 2.000 10 0 CEAERO [NH3+][C@@H](CC1CC1)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000311378457 627649627 /nfs/dbraw/zinc/64/96/27/627649627.db2.gz UMYRMHIAPKEQOA-BPHCLYMKSA-N 1 0 262.397 2.055 10 0 CEAERO C[NH+](C)[C@@H]1CCN(Cc2cccc3c2NCCC3)C1 ZINC000311839983 627703397 /nfs/dbraw/zinc/70/33/97/627703397.db2.gz QNKXGYPZRDIRSS-OAHLLOKOSA-N 1 0 259.397 2.181 10 0 CEAERO CC[C@@H]1CCC[C@H](C[NH2+][C@H]2CCCN(CCO)C2)C1 ZINC000394587182 627810216 /nfs/dbraw/zinc/81/02/16/627810216.db2.gz YDHDUCPTCADRQQ-PMPSAXMXSA-N 1 0 268.445 2.249 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cccc(Cl)n2)C1 ZINC000183830659 628192393 /nfs/dbraw/zinc/19/23/93/628192393.db2.gz LNYKDSBHCPCHRU-SNVBAGLBSA-N 1 0 282.775 2.341 10 0 CEAERO COC(=O)[C@H]1CCC[N@H+](CCc2cccs2)C1 ZINC000066832265 628216873 /nfs/dbraw/zinc/21/68/73/628216873.db2.gz MUBRDVOEHOCQRW-NSHDSACASA-N 1 0 253.367 2.176 10 0 CEAERO COc1ccc(OC)c([C@@H](C)[NH2+]C2CSC2)c1 ZINC000396443987 628225224 /nfs/dbraw/zinc/22/52/24/628225224.db2.gz XMRMLYGQNMDJPT-SECBINFHSA-N 1 0 253.367 2.470 10 0 CEAERO CC[C@@H]1CN(Cc2cc(C#CC[NH3+])cs2)C[C@H](CC)O1 ZINC000398374524 628525397 /nfs/dbraw/zinc/52/53/97/628525397.db2.gz KAVFLGTWAAPUEA-GASCZTMLSA-N 1 0 292.448 2.448 10 0 CEAERO C[C@H]([NH3+])CN(C)c1ncc(Cl)cc1Br ZINC000162897902 628746800 /nfs/dbraw/zinc/74/68/00/628746800.db2.gz NQLWLVZEEPGZKH-LURJTMIESA-N 1 0 278.581 2.281 10 0 CEAERO CC[C@H]([NH3+])CNc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000104207306 628764964 /nfs/dbraw/zinc/76/49/64/628764964.db2.gz RNRZBFXLTNGYFQ-QMMMGPOBSA-N 1 0 296.314 2.129 10 0 CEAERO CCC1(C)CCN(C(=O)[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000094648333 628870344 /nfs/dbraw/zinc/87/03/44/628870344.db2.gz MBHCQRBANHUTHA-OLZOCXBDSA-N 1 0 252.402 2.413 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)Nc1ccc2nccnc2n1 ZINC000094726026 628933062 /nfs/dbraw/zinc/93/30/62/628933062.db2.gz SMSPSEPXFIZUKZ-GFCCVEGCSA-N 1 0 273.384 2.413 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1Cc1ccccc1OC(F)F ZINC000261591934 628943016 /nfs/dbraw/zinc/94/30/16/628943016.db2.gz YEOGEYPKNCXTDQ-MWLCHTKSSA-N 1 0 256.296 2.210 10 0 CEAERO COC[C@]1(C(=O)N[C@@H](C)c2ccccc2Cl)CC[NH2+]C1 ZINC000261672304 628982315 /nfs/dbraw/zinc/98/23/15/628982315.db2.gz FZFWCIHUOQWGNV-NHYWBVRUSA-N 1 0 296.798 2.143 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@@H](O)c1cccc(Cl)c1 ZINC000261688321 628989711 /nfs/dbraw/zinc/98/97/11/628989711.db2.gz HKQBKSYGZMAZML-ZLKJLUDKSA-N 1 0 296.798 2.007 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(-n2ccnc2)c(F)c1 ZINC000236912931 629124293 /nfs/dbraw/zinc/12/42/93/629124293.db2.gz UKGIYRFOBCCUGM-IINYFYTJSA-N 1 0 290.342 2.323 10 0 CEAERO CC(C)Cc1nnc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)s1 ZINC000226300076 629128202 /nfs/dbraw/zinc/12/82/02/629128202.db2.gz RDDMPDZCQDQOLU-UWVGGRQHSA-N 1 0 282.413 2.193 10 0 CEAERO C[C@@H]1C[C@@H]1NC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261853419 629282277 /nfs/dbraw/zinc/28/22/77/629282277.db2.gz WABJRZCBDBOSGT-YDEJPDAXSA-N 1 0 297.196 2.148 10 0 CEAERO CC1CCC(CN2CC[NH2+]C[C@@H]2c2nccn2C)CC1 ZINC000261930082 629339237 /nfs/dbraw/zinc/33/92/37/629339237.db2.gz CQEZCPSYGUWLOL-YMAMQOFZSA-N 1 0 276.428 2.193 10 0 CEAERO COC[C@H]([NH3+])C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000262278567 630597911 /nfs/dbraw/zinc/59/79/11/630597911.db2.gz LIAFEVMWFYXPRO-NSHDSACASA-N 1 0 290.285 2.094 10 0 CEAERO C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000262907632 631253312 /nfs/dbraw/zinc/25/33/12/631253312.db2.gz FGNZCCLYNRPMAP-KQTLUZQSSA-N 1 0 280.412 2.064 10 0 CEAERO CCCCNC(=S)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000252891813 631674690 /nfs/dbraw/zinc/67/46/90/631674690.db2.gz LYLPXKCDABATII-CHWSQXEVSA-N 1 0 269.458 2.220 10 0 CEAERO Cc1cc2c(ncnc2N2CC[C@H](C)[C@H](C[NH3+])C2)s1 ZINC000163952604 639338413 /nfs/dbraw/zinc/33/84/13/639338413.db2.gz OFXJEOUEOZGOFQ-GXSJLCMTSA-N 1 0 276.409 2.421 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1nc(Cl)cs1 ZINC000165215954 639418501 /nfs/dbraw/zinc/41/85/01/639418501.db2.gz JSWBSYJLTBWSBI-DTWKUNHWSA-N 1 0 257.790 2.469 10 0 CEAERO Cc1c(Cl)nnc(N2C[C@H]([NH+](C)C)[C@@H](C)C2)c1C ZINC000226090914 639521050 /nfs/dbraw/zinc/52/10/50/639521050.db2.gz ZPPKYGZMLYUWLC-KWQFWETISA-N 1 0 268.792 2.133 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](c2nc([C@@H]3COc4ccccc4O3)no2)C1 ZINC000227869889 639608248 /nfs/dbraw/zinc/60/82/48/639608248.db2.gz IQKFSPJYFDXESE-BREBYQMCSA-N 1 0 287.319 2.177 10 0 CEAERO CCN(c1ccc(NC(=O)[C@@H](C)[NH2+]C)cc1)C(C)C ZINC000060481717 639622173 /nfs/dbraw/zinc/62/21/73/639622173.db2.gz JERHJWLINMWGIO-GFCCVEGCSA-N 1 0 263.385 2.468 10 0 CEAERO CCCc1nsc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000228552005 639642829 /nfs/dbraw/zinc/64/28/29/639642829.db2.gz SGWQMPNAYQFBJG-HBNTYKKESA-N 1 0 266.414 2.054 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1Nc1nc(C(F)(F)F)ns1 ZINC000228790832 639658645 /nfs/dbraw/zinc/65/86/45/639658645.db2.gz ZQQOMCWWGFFZOM-NTSWFWBYSA-N 1 0 266.292 2.096 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1sccc1Cl ZINC000087722120 639723770 /nfs/dbraw/zinc/72/37/70/639723770.db2.gz WEVVSIRMXHSSHD-CBAPKCEASA-N 1 0 258.774 2.259 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+][C@H]2CCCOC2)C1 ZINC000230393701 639756092 /nfs/dbraw/zinc/75/60/92/639756092.db2.gz ROLDCDXVMBMXRF-STQMWFEESA-N 1 0 284.400 2.012 10 0 CEAERO COc1ccc2c(c1)C[C@H]([NH2+]C1CC(OC)C1)CC2 ZINC000230673536 639778011 /nfs/dbraw/zinc/77/80/11/639778011.db2.gz BLTXEPDLSJULNJ-VQCLRJIVSA-N 1 0 261.365 2.320 10 0 CEAERO CCC1CCC(c2noc(C[C@H](C[NH3+])OC)n2)CC1 ZINC000232131488 639901147 /nfs/dbraw/zinc/90/11/47/639901147.db2.gz KTNVKSRYSRBFRN-HTAVTVPLSA-N 1 0 267.373 2.270 10 0 CEAERO CCc1cc(N2CCC(CC[NH2+]C)CC2)nc(C)n1 ZINC000088760664 640010018 /nfs/dbraw/zinc/01/00/18/640010018.db2.gz OITTZMAGYJJZER-UHFFFAOYSA-N 1 0 262.401 2.173 10 0 CEAERO CCn1cc(Cl)cc1C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089090791 640040576 /nfs/dbraw/zinc/04/05/76/640040576.db2.gz ZAWRPYCGPFWWOB-MWLCHTKSSA-N 1 0 269.776 2.019 10 0 CEAERO Clc1nn(CN2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc12 ZINC000180370754 641455137 /nfs/dbraw/zinc/45/51/37/641455137.db2.gz DQTJSMRXUQOGPU-GFCCVEGCSA-N 1 0 290.798 2.427 10 0 CEAERO CO[C@@H](C)CC(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000182520082 641671782 /nfs/dbraw/zinc/67/17/82/641671782.db2.gz RHKDNALFLGRKCH-KBPBESRZSA-N 1 0 278.396 2.048 10 0 CEAERO CC(C)[NH2+]C1CCN(C[C@](C)(O)c2ccccc2)CC1 ZINC000108369242 642283130 /nfs/dbraw/zinc/28/31/30/642283130.db2.gz MWICXKJJCANFBL-KRWDZBQOSA-N 1 0 276.424 2.357 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)NCCSC(F)(F)F)C1 ZINC000057830357 642569821 /nfs/dbraw/zinc/56/98/21/642569821.db2.gz FUYZNUPEQZSVNN-VIFPVBQESA-N 1 0 299.362 2.023 10 0 CEAERO C[C@H](Cc1ccccc1)C(=O)N1CCC(C[NH3+])CC1 ZINC000204166229 646807533 /nfs/dbraw/zinc/80/75/33/646807533.db2.gz CANKHDAHBKGBNN-CYBMUJFWSA-N 1 0 260.381 2.063 10 0 CEAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)c(Cl)c1 ZINC000212895025 652212865 /nfs/dbraw/zinc/21/28/65/652212865.db2.gz GBRPAXFKIGAHCL-ZACCUICWSA-N 1 0 282.746 2.492 10 0 CEAERO CC[C@H](NC(=O)c1ccnc(C[NH3+])c1)c1ccccc1 ZINC000130246106 652232389 /nfs/dbraw/zinc/23/23/89/652232389.db2.gz VYVMRSUEFLHLFI-HNNXBMFYSA-N 1 0 269.348 2.421 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)c1ccc([C@@H](C)O)cn1 ZINC000213286619 652244453 /nfs/dbraw/zinc/24/44/53/652244453.db2.gz JDSCEZDOKYJCEA-TZMCWYRMSA-N 1 0 263.385 2.055 10 0 CEAERO Cn1c2ccccc2nc1N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000131100545 652379900 /nfs/dbraw/zinc/37/99/00/652379900.db2.gz CLMAELFXFBXVLJ-XQQFMLRXSA-N 1 0 270.380 2.137 10 0 CEAERO C[NH2+][C@H](c1ccc(OC)cc1)[C@@H](C)S(=O)(=O)C(C)C ZINC000081981518 177911852 /nfs/dbraw/zinc/91/18/52/177911852.db2.gz WBJJNNBIIBECEE-RISCZKNCSA-N 1 0 285.409 2.167 10 0 CEAERO CC(C)Cc1ccc(Cn2cc(CC[NH3+])nn2)cc1 ZINC000082296117 177950315 /nfs/dbraw/zinc/95/03/15/177950315.db2.gz GDLQHFVJGIYRJG-UHFFFAOYSA-N 1 0 258.369 2.026 10 0 CEAERO Brc1cncc(C[C@H]2CCC[NH2+]C2)c1 ZINC000095826764 185028522 /nfs/dbraw/zinc/02/85/22/185028522.db2.gz DZTPJNNKCGOFLH-SECBINFHSA-N 1 0 255.159 2.386 10 0 CEAERO Cc1ccccc1[C@@H]([NH2+]CC(N)=O)c1ccccc1 ZINC000095862531 185029604 /nfs/dbraw/zinc/02/96/04/185029604.db2.gz KKIQGWZCCFCUMC-INIZCTEOSA-N 1 0 254.333 2.159 10 0 CEAERO NC(=O)c1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000095932514 185032917 /nfs/dbraw/zinc/03/29/17/185032917.db2.gz KLHHCQNXFYICOB-QGZVFWFLSA-N 1 0 296.370 2.439 10 0 CEAERO COc1cc(C(=O)C[NH2+]CCc2ccccc2)ccc1O ZINC000095934926 185033210 /nfs/dbraw/zinc/03/32/10/185033210.db2.gz MQNAVAQNNGSREV-UHFFFAOYSA-N 1 0 285.343 2.416 10 0 CEAERO CC(C)[NH2+]CCNC(=O)c1sccc1Br ZINC000082614180 178126676 /nfs/dbraw/zinc/12/66/76/178126676.db2.gz VAFCSNZTHOVWCA-UHFFFAOYSA-N 1 0 291.214 2.238 10 0 CEAERO CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](S(C)(=O)=O)C1 ZINC000095936337 185034528 /nfs/dbraw/zinc/03/45/28/185034528.db2.gz IIOIALXQCCSHAN-HUUCEWRRSA-N 1 0 281.421 2.299 10 0 CEAERO COC(=O)c1sccc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000121639236 365597962 /nfs/dbraw/zinc/59/79/62/365597962.db2.gz NWFNMLCEUQUKNX-CYBMUJFWSA-N 1 0 294.420 2.205 10 0 CEAERO CCN(CC)[C@@H](C[NH3+])c1ccc(OC)c(OC)c1 ZINC000032497123 361738490 /nfs/dbraw/zinc/73/84/90/361738490.db2.gz IUTSDFNVBHYSTK-LBPRGKRZSA-N 1 0 252.358 2.045 10 0 CEAERO CC(C)[C@@H]([NH3+])CN1CCN(c2ccccc2Cl)CC1 ZINC000034940085 361798633 /nfs/dbraw/zinc/79/86/33/361798633.db2.gz KSHOOCBAFCETKD-AWEZNQCLSA-N 1 0 281.831 2.445 10 0 CEAERO C[NH+]1CCN(CCc2ccc3ccccc3n2)CC1 ZINC000033827402 361784223 /nfs/dbraw/zinc/78/42/23/361784223.db2.gz HCLRRXBUWSFJGE-UHFFFAOYSA-N 1 0 255.365 2.025 10 0 CEAERO COc1cccc(CN2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC000082728992 178245453 /nfs/dbraw/zinc/24/54/53/178245453.db2.gz IQMGVJJEDOPDEZ-ZBFHGGJFSA-N 1 0 260.381 2.269 10 0 CEAERO C[C@H]1CN(C(=O)Cc2cccc(C(F)(F)F)c2)C[C@H]1[NH3+] ZINC000335483216 212158419 /nfs/dbraw/zinc/15/84/19/212158419.db2.gz KUTHHRCKLZTTHO-JOYOIKCWSA-N 1 0 286.297 2.054 10 0 CEAERO C[C@@H]1CN(C(=O)c2cc(F)c(F)cc2Cl)C[C@H]1[NH3+] ZINC000335482574 212156872 /nfs/dbraw/zinc/15/68/72/212156872.db2.gz DOTJURYGBKFKMG-KSBSHMNSSA-N 1 0 274.698 2.037 10 0 CEAERO CCC(CC)(C[NH2+]C[C@](C)(O)c1ccccc1)C(=O)OC ZINC000192701385 282118769 /nfs/dbraw/zinc/11/87/69/282118769.db2.gz XLUSFHBEROENTI-INIZCTEOSA-N 1 0 293.407 2.463 10 0 CEAERO CC(C)C(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000096080861 185091533 /nfs/dbraw/zinc/09/15/33/185091533.db2.gz CUNWFWNIJNBGSY-HOTGVXAUSA-N 1 0 272.392 2.233 10 0 CEAERO C[C@@H]1C[C@@H]2CC[N@H+](Cc3ccc4c(c3)OCO4)C[C@H]2O1 ZINC000096092793 185094496 /nfs/dbraw/zinc/09/44/96/185094496.db2.gz OQDBKTHPFDLCMX-PVXIVEMSSA-N 1 0 275.348 2.415 10 0 CEAERO C1CC([NH+]2CCC(c3nnc4n3CCCC4)CC2)C1 ZINC000336569233 365657479 /nfs/dbraw/zinc/65/74/79/365657479.db2.gz BXJARHSDDJKYFE-UHFFFAOYSA-N 1 0 260.385 2.346 10 0 CEAERO CCC1(C[N@@H+]2CC[C@H](C)[S@](=O)CC2)CCOCC1 ZINC000336581556 365674019 /nfs/dbraw/zinc/67/40/19/365674019.db2.gz DWUZNWBJTFNSEJ-SCLBCKFNSA-N 1 0 273.442 2.036 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCSc1nc(C)cs1 ZINC000082903517 178329499 /nfs/dbraw/zinc/32/94/99/178329499.db2.gz GHHGNAKMFOKHDJ-LLVKDONJSA-N 1 0 260.428 2.294 10 0 CEAERO [NH3+][C@@H](CO)CCSc1nc2ccccc2s1 ZINC000082905189 178329612 /nfs/dbraw/zinc/32/96/12/178329612.db2.gz RYBNGHRFSGREKB-MRVPVSSYSA-N 1 0 254.380 2.098 10 0 CEAERO C[C@H](C[C@@](C)(O)C[NH3+])Sc1ccc(Cl)cn1 ZINC000082917634 178329682 /nfs/dbraw/zinc/32/96/82/178329682.db2.gz QFFKZEXHANQEHM-LDYMZIIASA-N 1 0 260.790 2.315 10 0 CEAERO Brc1cc(CC[NH2+]C2CC2)cc2c1OCO2 ZINC000082954866 178329845 /nfs/dbraw/zinc/32/98/45/178329845.db2.gz VVUYTUBFUXBJAU-UHFFFAOYSA-N 1 0 284.153 2.472 10 0 CEAERO CC(C)[C@@H]1CN(CCc2ccc(F)cc2)CC[NH2+]1 ZINC000083383531 178386499 /nfs/dbraw/zinc/38/64/99/178386499.db2.gz DJDSAWUFBCOXIK-HNNXBMFYSA-N 1 0 250.361 2.298 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@@H]1N1CCc2ccccc2C1=O ZINC000096601857 185107861 /nfs/dbraw/zinc/10/78/61/185107861.db2.gz OADHGNNJXXIXKF-CABCVRRESA-N 1 0 258.365 2.345 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1N1CCc2ccccc2C1=O ZINC000096601835 185108206 /nfs/dbraw/zinc/10/82/06/185108206.db2.gz LRAMPTODEPFASQ-ZFWWWQNUSA-N 1 0 258.365 2.202 10 0 CEAERO Cc1csc(CCNC2=[NH+]C[C@@H](C)CS2)n1 ZINC000083387042 178394763 /nfs/dbraw/zinc/39/47/63/178394763.db2.gz NUCVYSOYAVVZMX-MRVPVSSYSA-N 1 0 255.412 2.323 10 0 CEAERO COc1cc(C)c(/C=C/C(=O)N2CCC[NH2+]CC2)c(C)c1 ZINC000096756001 185111744 /nfs/dbraw/zinc/11/17/44/185111744.db2.gz OVKQZGSLYDBLHG-AATRIKPKSA-N 1 0 288.391 2.147 10 0 CEAERO CC(C)CCN(C[C@@](C)(CO)[NH2+]C(C)C)C1CC1 ZINC000096836930 185116272 /nfs/dbraw/zinc/11/62/72/185116272.db2.gz SPTREIOBJQBJLT-HNNXBMFYSA-N 1 0 256.434 2.246 10 0 CEAERO [NH3+]Cc1ccc2nc(-c3ccc4c(c3)OCCO4)[nH]c2c1 ZINC000096874715 185118961 /nfs/dbraw/zinc/11/89/61/185118961.db2.gz UELYKNSKHGICJC-UHFFFAOYSA-N 1 0 281.315 2.460 10 0 CEAERO COc1ccc([C@H](C)CCC[NH3+])cc1NC(C)=O ZINC000096890565 185123970 /nfs/dbraw/zinc/12/39/70/185123970.db2.gz JALQGTNTBKJTNN-SNVBAGLBSA-N 1 0 250.342 2.496 10 0 CEAERO CC(C)(C)OC(=O)N[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC000096897239 185124545 /nfs/dbraw/zinc/12/45/45/185124545.db2.gz NWQQIWHYZNQYBV-NSHDSACASA-N 1 0 254.374 2.433 10 0 CEAERO CC(C)(C)OC(=O)N1CCSC[C@]12CCC[NH2+]C2 ZINC000096944269 185134374 /nfs/dbraw/zinc/13/43/74/185134374.db2.gz ZBOAHUVWKVGBOS-CYBMUJFWSA-N 1 0 272.414 2.093 10 0 CEAERO c1ccc(CN2CCSC[C@@]23CCC[NH2+]C3)cc1 ZINC000096949203 185137769 /nfs/dbraw/zinc/13/77/69/185137769.db2.gz GQTZPESQBBTHTF-HNNXBMFYSA-N 1 0 262.422 2.358 10 0 CEAERO CC[C@H]1C[NH2+]C[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC000096958517 185141369 /nfs/dbraw/zinc/14/13/69/185141369.db2.gz BFJIDBFBHCQIRQ-FZMZJTMJSA-N 1 0 254.374 2.243 10 0 CEAERO CCC[C@H]1CN(c2ccccc2C(=O)OC)CC[NH2+]1 ZINC000039952534 361990893 /nfs/dbraw/zinc/99/08/93/361990893.db2.gz OLVKNMTULPLAMS-LBPRGKRZSA-N 1 0 262.353 2.052 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCCSC ZINC000175079909 529405429 /nfs/dbraw/zinc/40/54/29/529405429.db2.gz YDNSLMFXDISYBW-ZIAGYGMSSA-N 1 0 299.484 2.398 10 0 CEAERO COc1ccc(Br)cc1N1CC[NH2+]C[C@H]1C ZINC000083086933 536638828 /nfs/dbraw/zinc/63/88/28/536638828.db2.gz JYKNSTAOLIGMBF-SECBINFHSA-N 1 0 285.185 2.256 10 0 CEAERO CCc1cc(Br)cc2c1NC[C@@]21C[C@H]1[NH3+] ZINC000725247823 539192588 /nfs/dbraw/zinc/19/25/88/539192588.db2.gz ZQBSQBCRIXWFJW-PWSUYJOCSA-N 1 0 267.170 2.406 10 0 CEAERO CCN1C[C@@]2(C[C@H]2[NH3+])c2cc(Br)ccc21 ZINC000725247751 539192722 /nfs/dbraw/zinc/19/27/22/539192722.db2.gz XATMWTQASIIMGN-NEPJUHHUSA-N 1 0 267.170 2.258 10 0 CEAERO CC(C)(C)C(=O)N1CC[C@@H]([NH3+])[C@H](C(F)(F)F)CC1 ZINC000725262555 539210718 /nfs/dbraw/zinc/21/07/18/539210718.db2.gz GBVKIIQEYICEBF-RKDXNWHRSA-N 1 0 266.307 2.161 10 0 CEAERO CC(C)[C@H](C)C(=O)N1CC[C@@H]([NH3+])[C@H](C(F)(F)F)CC1 ZINC000725262971 539211880 /nfs/dbraw/zinc/21/18/80/539211880.db2.gz YMMSPKLOYWMKKE-HBNTYKKESA-N 1 0 280.334 2.407 10 0 CEAERO C[C@H](c1cnn(CC2CCC2)c1)[N@@H+]1CCC[C@H](CO)C1 ZINC000725264281 539212708 /nfs/dbraw/zinc/21/27/08/539212708.db2.gz GZHCVUONMPDRKC-HIFRSBDPSA-N 1 0 277.412 2.449 10 0 CEAERO Clc1cc(Cl)cc(-c2cnnn2C2C[NH2+]C2)c1 ZINC000725266155 539213443 /nfs/dbraw/zinc/21/34/43/539213443.db2.gz QKCIMXJNJGHMGO-UHFFFAOYSA-N 1 0 269.135 2.396 10 0 CEAERO O[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000226917541 539228979 /nfs/dbraw/zinc/22/89/79/539228979.db2.gz LTUGVODMTREEIA-OAGGEKHMSA-N 1 0 261.365 2.194 10 0 CEAERO Cc1ccc(CNC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)cc1F ZINC000126113993 187218239 /nfs/dbraw/zinc/21/82/39/187218239.db2.gz QBXDMFQUEBKHIA-YGRLFVJLSA-N 1 0 264.344 2.138 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCc2ccccc2C1 ZINC000300291205 539269324 /nfs/dbraw/zinc/26/93/24/539269324.db2.gz BETXROSXIRERAN-HRCADAONSA-N 1 0 272.392 2.035 10 0 CEAERO Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247005076 539270224 /nfs/dbraw/zinc/27/02/24/539270224.db2.gz NJNDLJJOVAMCIY-BHYGNILZSA-N 1 0 284.403 2.405 10 0 CEAERO Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000133794765 539274976 /nfs/dbraw/zinc/27/49/76/539274976.db2.gz VSKYWSPFULMWQK-CVEARBPZSA-N 1 0 274.408 2.463 10 0 CEAERO CCCCOC[C@@H](O)C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000310663507 539278973 /nfs/dbraw/zinc/27/89/73/539278973.db2.gz KMMRJUACMDZSOG-QWRGUYRKSA-N 1 0 269.307 2.048 10 0 CEAERO [NH3+][C@@H]1CCC[S@@](=O)c2c(Br)cccc21 ZINC000040977262 362010112 /nfs/dbraw/zinc/01/01/12/362010112.db2.gz FCWPIJRWQWVDCS-OTYXRUKQSA-N 1 0 274.183 2.350 10 0 CEAERO [NH3+][C@@H]1CCC[S@@](=O)c2ccc(Br)cc21 ZINC000040976805 362011205 /nfs/dbraw/zinc/01/12/05/362011205.db2.gz UOJJSRUFIXRPLF-OTYXRUKQSA-N 1 0 274.183 2.350 10 0 CEAERO O[C@H](C[N@@H+]1CCO[C@H]2CCCC[C@@H]21)c1ccccc1 ZINC000042247914 362073950 /nfs/dbraw/zinc/07/39/50/362073950.db2.gz AWVXIRYCMVPHQK-XHSDSOJGSA-N 1 0 261.365 2.363 10 0 CEAERO CCC[C@@H](C(=O)Nc1cccc(N(C)C(C)=O)c1)[NH+](C)C ZINC000126419218 187238095 /nfs/dbraw/zinc/23/80/95/187238095.db2.gz JYHSSVNSCYXQNH-HNNXBMFYSA-N 1 0 291.395 2.338 10 0 CEAERO [NH3+]C[C@@H](c1cc(Br)cs1)n1cccn1 ZINC000043287825 362142806 /nfs/dbraw/zinc/14/28/06/362142806.db2.gz TUYKHFIIDVJODL-QMMMGPOBSA-N 1 0 272.171 2.255 10 0 CEAERO [NH3+]Cc1c(F)c(F)c(Br)c(F)c1F ZINC000044248629 362150059 /nfs/dbraw/zinc/15/00/59/362150059.db2.gz RHATXBXVRLKIMV-UHFFFAOYSA-N 1 0 258.012 2.464 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@H](C)COC)c1C ZINC000045658193 362163906 /nfs/dbraw/zinc/16/39/06/362163906.db2.gz HOQNVACYRFDPHW-QWRGUYRKSA-N 1 0 253.390 2.453 10 0 CEAERO CC(C)CO[C@@H]1C[C@H]([NH2+]C[C@H](C)N2CCOCC2)C1(C)C ZINC000245964197 539313444 /nfs/dbraw/zinc/31/34/44/539313444.db2.gz YRXMEHKHBUCUNJ-HRCADAONSA-N 1 0 298.471 2.136 10 0 CEAERO CCOc1ccc(C[NH2+][C@H]2CCC[C@H](O)C2)cc1OC ZINC000037163803 343425979 /nfs/dbraw/zinc/42/59/79/343425979.db2.gz QUQCGSKKESEUES-KBPBESRZSA-N 1 0 279.380 2.487 10 0 CEAERO COc1ccc(C[NH2+][C@H]2CCC[C@H](O)C2)cc1OC ZINC000037164299 343426172 /nfs/dbraw/zinc/42/61/72/343426172.db2.gz DDUCQIYMZVLJLT-STQMWFEESA-N 1 0 265.353 2.097 10 0 CEAERO CC(C)[NH2+]CCC(=O)N[C@H]1CCOc2ccccc21 ZINC000037618755 343429757 /nfs/dbraw/zinc/42/97/57/343429757.db2.gz RXKXTPNKLXPRFQ-ZDUSSCGKSA-N 1 0 262.353 2.015 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)C(C2CC2)C2CC2)[C@@H](C)C1 ZINC000127346020 365743231 /nfs/dbraw/zinc/74/32/31/365743231.db2.gz KRXUXKVYPBYYGR-FZMZJTMJSA-N 1 0 264.413 2.268 10 0 CEAERO CC1CC(C(=O)N(CCC[NH3+])Cc2ccccc2)C1 ZINC000567837706 299096863 /nfs/dbraw/zinc/09/68/63/299096863.db2.gz PBPNBYSSFRZMPV-UHFFFAOYSA-N 1 0 260.381 2.410 10 0 CEAERO C[C@@H](CCC[NH3+])Nc1cncc(Br)c1 ZINC000336682887 365758230 /nfs/dbraw/zinc/75/82/30/365758230.db2.gz ISRYKCSYRBWGRJ-QMMMGPOBSA-N 1 0 258.163 2.383 10 0 CEAERO CN(Cc1cccc(F)c1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054290598 343586839 /nfs/dbraw/zinc/58/68/39/343586839.db2.gz VSFCXYVTLIPHRL-GFCCVEGCSA-N 1 0 264.344 2.174 10 0 CEAERO COc1ccc(Cc2noc(C[C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000054301511 343587467 /nfs/dbraw/zinc/58/74/67/343587467.db2.gz FQACATRZLPOXFL-ZDUSSCGKSA-N 1 0 287.363 2.211 10 0 CEAERO Cc1ccccc1C[C@@H](C)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054307593 343587470 /nfs/dbraw/zinc/58/74/70/343587470.db2.gz IFVVJPQUQSZLCT-CABCVRRESA-N 1 0 274.408 2.432 10 0 CEAERO CC[C@H](C[NH3+])NC(=O)c1ccc(Br)cc1C ZINC000083565852 178581968 /nfs/dbraw/zinc/58/19/68/178581968.db2.gz YYWXOVHRRCPUEU-SNVBAGLBSA-N 1 0 285.185 2.225 10 0 CEAERO [NH3+]C[C@H](c1ccc(Br)cc1)[C@@H](O)C(F)(F)F ZINC000083562692 178581604 /nfs/dbraw/zinc/58/16/04/178581604.db2.gz VKOZKSSOMGYDSX-RKDXNWHRSA-N 1 0 298.102 2.415 10 0 CEAERO C[NH+]1CCC(Cc2cn(CC(N)=O)c3ccccc23)CC1 ZINC000117732979 344289970 /nfs/dbraw/zinc/28/99/70/344289970.db2.gz NTRIDPBAVTVHBK-UHFFFAOYSA-N 1 0 285.391 2.011 10 0 CEAERO CC(C)(C)OC(=O)N1CCC([NH+]2CCC(C)(O)CC2)CC1 ZINC000118185826 344290968 /nfs/dbraw/zinc/29/09/68/344290968.db2.gz ZQVDRKMHFCACLX-UHFFFAOYSA-N 1 0 298.427 2.233 10 0 CEAERO C[C@H]1C[C@](O)(c2sccc2Br)C[N@@H+]1C ZINC000127582120 344330612 /nfs/dbraw/zinc/33/06/12/344330612.db2.gz SIQHJTDRSIQVGZ-OIBJUYFYSA-N 1 0 276.199 2.422 10 0 CEAERO CC(C)(C)c1ccccc1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000132814533 344365877 /nfs/dbraw/zinc/36/58/77/344365877.db2.gz PYNVEKKCULIHFY-CQSZACIVSA-N 1 0 260.381 2.451 10 0 CEAERO Cc1ccc(NC(=O)C(C)(C)N2CC[NH2+]CC2)cc1Cl ZINC000129572735 344344995 /nfs/dbraw/zinc/34/49/95/344344995.db2.gz QWEARZOLWJQCDI-UHFFFAOYSA-N 1 0 295.814 2.271 10 0 CEAERO Cc1cccc(NC(=O)[C@@H](C)[NH3+])c1Br ZINC000131328239 344357430 /nfs/dbraw/zinc/35/74/30/344357430.db2.gz CJYGWJZPRZLWIZ-SSDOTTSWSA-N 1 0 257.131 2.043 10 0 CEAERO C[C@@]1(C(=O)NCC(C2CC2)C2CC2)CCCC[NH2+]1 ZINC000136190289 344383984 /nfs/dbraw/zinc/38/39/84/344383984.db2.gz VMVDYCVWFAMCDL-HNNXBMFYSA-N 1 0 250.386 2.071 10 0 CEAERO C[C@@H]([NH3+])[C@H](O)c1ccc(Cl)c(Br)c1 ZINC000137197708 344387539 /nfs/dbraw/zinc/38/75/39/344387539.db2.gz CYCYAVBXLCJGEI-ANLVUFKYSA-N 1 0 264.550 2.483 10 0 CEAERO CC(=O)N[C@H]1CC[NH2+][C@@H](Cc2ccc(Cl)cc2)C1 ZINC000147073390 344411357 /nfs/dbraw/zinc/41/13/57/344411357.db2.gz ZUCUZFNFZHAFCF-KBPBESRZSA-N 1 0 266.772 2.139 10 0 CEAERO [NH3+]C[C@@H](Nc1ccc2nccnc2n1)C1CCCCC1 ZINC000155835805 344439614 /nfs/dbraw/zinc/43/96/14/344439614.db2.gz QNUOWXSLCDNNNN-CYBMUJFWSA-N 1 0 271.368 2.344 10 0 CEAERO C[C@@H](Cc1ccccc1F)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000158682488 344452014 /nfs/dbraw/zinc/45/20/14/344452014.db2.gz KJFFUAQFLRYVNH-GXTWGEPZSA-N 1 0 278.371 2.167 10 0 CEAERO CC(C)([NH3+])[C@H](O)c1ccc(Br)c(F)c1 ZINC000161487238 344464006 /nfs/dbraw/zinc/46/40/06/344464006.db2.gz IWECJBIUSHGXFU-SECBINFHSA-N 1 0 262.122 2.359 10 0 CEAERO [NH3+][C@H]1CCO[C@H]1c1ccc(Br)c(F)c1 ZINC000162031901 344466489 /nfs/dbraw/zinc/46/64/89/344466489.db2.gz ZNYBJLHADOIIBV-UWVGGRQHSA-N 1 0 260.106 2.377 10 0 CEAERO Cc1cc(OCC(C)(C)[NH3+])ncc1Br ZINC000163999346 344471523 /nfs/dbraw/zinc/47/15/23/344471523.db2.gz TYHCMEGARVXMHS-UHFFFAOYSA-N 1 0 259.147 2.269 10 0 CEAERO Cc1cccc(CSCC(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000170860779 344491948 /nfs/dbraw/zinc/49/19/48/344491948.db2.gz BXYYVQAGQNKOQF-OAHLLOKOSA-N 1 0 292.448 2.391 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC=C(C)C ZINC000190693235 344513441 /nfs/dbraw/zinc/51/34/41/344513441.db2.gz LTXDGZNLZOLXRP-ZIAGYGMSSA-N 1 0 265.401 2.221 10 0 CEAERO C[C@@H](Nc1ccncc1Br)[C@@H](C)C[NH3+] ZINC000228820694 344563509 /nfs/dbraw/zinc/56/35/09/344563509.db2.gz PLSDORCGEIBZHK-JGVFFNPUSA-N 1 0 258.163 2.239 10 0 CEAERO C[C@@H]([NH3+])CNc1ncc(Br)cc1Cl ZINC000235180190 344589738 /nfs/dbraw/zinc/58/97/38/344589738.db2.gz YIQCLWQMZSUPJM-RXMQYKEDSA-N 1 0 264.554 2.257 10 0 CEAERO CCC(C)(C)C[NH2+]C[C@H](O)COCc1ccco1 ZINC000232894633 344579821 /nfs/dbraw/zinc/57/98/21/344579821.db2.gz VSJQDPUKBAODJQ-LBPRGKRZSA-N 1 0 255.358 2.183 10 0 CEAERO CC[C@H](C[NH3+])NC(=O)c1cc(Br)ccc1C ZINC000083689253 178687489 /nfs/dbraw/zinc/68/74/89/178687489.db2.gz IDKYMYDKKZKIQU-SNVBAGLBSA-N 1 0 285.185 2.225 10 0 CEAERO [NH3+]Cc1cncc(OC(F)(F)F)c1Br ZINC000238571916 344606564 /nfs/dbraw/zinc/60/65/64/344606564.db2.gz GHFXBZJDBZNVFA-UHFFFAOYSA-N 1 0 271.036 2.201 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N[C@H](C)C(C)(C)C)C1 ZINC000247348319 344620040 /nfs/dbraw/zinc/62/00/40/344620040.db2.gz NWPKBINOLGWODF-JHJVBQTASA-N 1 0 269.433 2.449 10 0 CEAERO COc1cc2c(cc1CN1CCCC[C@H]1C[NH3+])O[C@H](C)C2 ZINC000252719747 344641382 /nfs/dbraw/zinc/64/13/82/344641382.db2.gz ITHHJSGSOVPWIG-DOMZBBRYSA-N 1 0 290.407 2.332 10 0 CEAERO [NH3+]CCC1CCN(c2cncc(Br)c2)CC1 ZINC000300743349 344701570 /nfs/dbraw/zinc/70/15/70/344701570.db2.gz IGRJCAITDVYVPO-UHFFFAOYSA-N 1 0 284.201 2.409 10 0 CEAERO C[C@@H]1C[C@H](N2C[C@@H](C)[NH2+][C@@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000306571316 344714552 /nfs/dbraw/zinc/71/45/52/344714552.db2.gz FXJGVDUICZTVFH-HPFXQQBRSA-N 1 0 287.451 2.332 10 0 CEAERO [NH3+][C@@H](C[C@H]1CCOC1)c1ccc(Br)o1 ZINC000306591807 344715015 /nfs/dbraw/zinc/71/50/15/344715015.db2.gz VUSOKYSSVQNKEI-SFYZADRCSA-N 1 0 260.131 2.469 10 0 CEAERO Cn1ncc([C@H]([NH3+])C2CCCC2)c1Br ZINC000306805764 344717420 /nfs/dbraw/zinc/71/74/20/344717420.db2.gz IFGKGEICQYMGDO-SECBINFHSA-N 1 0 258.163 2.373 10 0 CEAERO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC1=[NH+]CCS1 ZINC000306889064 344718276 /nfs/dbraw/zinc/71/82/76/344718276.db2.gz WXBWTYZZQOVURU-JSGCOSHPSA-N 1 0 275.421 2.199 10 0 CEAERO C[C@H](CC1CCOCC1)[NH2+]C[C@H]1CCc2nccn2C1 ZINC000328622632 344755942 /nfs/dbraw/zinc/75/59/42/344755942.db2.gz BKJDGFAUVSXEIU-UKRRQHHQSA-N 1 0 277.412 2.240 10 0 CEAERO C[N@@H+](Cc1cnn2ccccc12)C[C@@H]1CCc2nccn2C1 ZINC000328630924 344756647 /nfs/dbraw/zinc/75/66/47/344756647.db2.gz JXCBCFIJXOQGQA-AWEZNQCLSA-N 1 0 295.390 2.225 10 0 CEAERO [NH3+][C@@H](Cc1cc(F)ccc1Br)[C@@H]1CCOC1 ZINC000083716915 178722945 /nfs/dbraw/zinc/72/29/45/178722945.db2.gz FFUXJRGDQXUXHQ-PELKAZGASA-N 1 0 288.160 2.495 10 0 CEAERO C[C@@H](O)[C@@](C)(C[NH3+])Cc1ccc(Br)s1 ZINC000083777483 178746024 /nfs/dbraw/zinc/74/60/24/178746024.db2.gz OEWQYPNSFBCNGB-GMSGAONNSA-N 1 0 278.215 2.399 10 0 CEAERO C[C@H](O)[C@](C)(C[NH3+])Cc1sccc1Br ZINC000083777496 178746155 /nfs/dbraw/zinc/74/61/55/178746155.db2.gz LQFYVJYUOTXYMU-XVKPBYJWSA-N 1 0 278.215 2.399 10 0 CEAERO C[C@@H]([NH2+]C1CCN(CCO)CC1)c1ccc(F)c(F)c1 ZINC000399228117 344858129 /nfs/dbraw/zinc/85/81/29/344858129.db2.gz FRCANAQYGINZSI-LLVKDONJSA-N 1 0 284.350 2.072 10 0 CEAERO CC[C@@H](C[NH2+]CC1(O)CCOCC1)CC(F)(F)F ZINC000402548745 344872996 /nfs/dbraw/zinc/87/29/96/344872996.db2.gz FJTOFOZWYFDQRX-SNVBAGLBSA-N 1 0 269.307 2.096 10 0 CEAERO C[NH2+][C@@H]1CCC[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000403277812 344874821 /nfs/dbraw/zinc/87/48/21/344874821.db2.gz QQLWTGKOMTYRPF-VXGBXAGGSA-N 1 0 272.348 2.061 10 0 CEAERO Fc1c(Cl)cccc1CN1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404255914 344878634 /nfs/dbraw/zinc/87/86/34/344878634.db2.gz LXLYYOFVGYDVBA-OLZOCXBDSA-N 1 0 284.762 2.042 10 0 CEAERO COc1ccc([S@](=O)[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000084002632 178769826 /nfs/dbraw/zinc/76/98/26/178769826.db2.gz UPROQPAJXRNXIA-OGHNNQOOSA-N 1 0 253.367 2.073 10 0 CEAERO COc1cccc([S@@](=O)C[C@@H]([NH3+])C(C)(C)C)c1 ZINC000084003280 178769950 /nfs/dbraw/zinc/76/99/50/178769950.db2.gz XAKWKUHJDMNOGH-SJKOYZFVSA-N 1 0 255.383 2.176 10 0 CEAERO CC[S@](=O)Cc1cc([C@H](C)[NH2+]C)ccc1OC ZINC000084006775 178770071 /nfs/dbraw/zinc/77/00/71/178770071.db2.gz ZJFJGHHOYZSEGP-DYZYQPBXSA-N 1 0 255.383 2.244 10 0 CEAERO CC[NH2+][C@@H](C[S@](=O)CCOC)c1cc(C)ccc1OC ZINC000084035428 178774856 /nfs/dbraw/zinc/77/48/56/178774856.db2.gz ZSQCTFNQCHXCKM-XOBRGWDASA-N 1 0 299.436 2.049 10 0 CEAERO O=C([C@H]1CCCC[C@@H]1[NH+]1CCCC1)N1CCCC1 ZINC000584605943 344964098 /nfs/dbraw/zinc/96/40/98/344964098.db2.gz ACNLORUZHFFDDZ-KBPBESRZSA-N 1 0 250.386 2.263 10 0 CEAERO CCOc1ccc([C@@H](O)[C@@H](C)[N@@H+]2CCCN(C)CC2)cc1 ZINC000584617097 344965984 /nfs/dbraw/zinc/96/59/84/344965984.db2.gz IAUOVIZMDZJGOS-PBHICJAKSA-N 1 0 292.423 2.145 10 0 CEAERO COc1ccc([C@H](O)[C@H](C)[NH+]2CCCC2)cc1OC ZINC000584621122 344967259 /nfs/dbraw/zinc/96/72/59/344967259.db2.gz YPVVPFCGHPFNTN-XHDPSFHLSA-N 1 0 265.353 2.222 10 0 CEAERO CCOC(=O)[C@H](CC)Oc1ccc(C[C@H](C)[NH3+])cc1OC ZINC000084105945 178792721 /nfs/dbraw/zinc/79/27/21/178792721.db2.gz OLMHGNLXGDRVFP-AAEUAGOBSA-N 1 0 295.379 2.305 10 0 CEAERO COc1ccc(Br)c2[nH+]cc(N)c(N)c12 ZINC000584882840 344996873 /nfs/dbraw/zinc/99/68/73/344996873.db2.gz WETNXHXMGPFSDB-UHFFFAOYSA-N 1 0 268.114 2.001 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1cccc(F)c1F ZINC000054291091 362521889 /nfs/dbraw/zinc/52/18/89/362521889.db2.gz WXBLYMLDYSOXSS-SECBINFHSA-N 1 0 254.280 2.293 10 0 CEAERO C[NH2+][C@H](C)C(=O)Nc1cc(Br)ccc1F ZINC000054072312 362508761 /nfs/dbraw/zinc/50/87/61/362508761.db2.gz DYLKHRFVYUIBQF-ZCFIWIBFSA-N 1 0 275.121 2.135 10 0 CEAERO C[NH2+][C@H](C)C(=O)Nc1ccccc1OCC(F)(F)F ZINC000054073446 362509007 /nfs/dbraw/zinc/50/90/07/362509007.db2.gz GNYPXDYAAVQIMG-MRVPVSSYSA-N 1 0 276.258 2.174 10 0 CEAERO CC[C@@H](C)N(CCOC)C(=O)CC1([NH3+])CCCCC1 ZINC000084185209 178819227 /nfs/dbraw/zinc/81/92/27/178819227.db2.gz APMFDYVEMZWBTH-CYBMUJFWSA-N 1 0 270.417 2.312 10 0 CEAERO C[C@@H]1CCC[C@@H](N(C)C(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000054291370 362523261 /nfs/dbraw/zinc/52/32/61/362523261.db2.gz UKHWISLTTAZPBY-HZSPNIEDSA-N 1 0 252.402 2.413 10 0 CEAERO COCCOc1ccc(NC(=O)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000054307449 362526577 /nfs/dbraw/zinc/52/65/77/362526577.db2.gz QRRNEKFTOANKMD-ZDUSSCGKSA-N 1 0 292.379 2.040 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1CNc1ncccc1Br ZINC000084235817 178829554 /nfs/dbraw/zinc/82/95/54/178829554.db2.gz CQWNNYJYHNTQFK-PSASIEDQSA-N 1 0 270.174 2.383 10 0 CEAERO C[NH2+]Cc1ccc(S(=O)(=O)NC2(C)CCCC2)cc1 ZINC000084235466 178829693 /nfs/dbraw/zinc/82/96/93/178829693.db2.gz XIFTYHZISDHMLM-UHFFFAOYSA-N 1 0 282.409 2.017 10 0 CEAERO CCC[C@@H](C)NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000591539185 345264203 /nfs/dbraw/zinc/26/42/03/345264203.db2.gz VADJDYWAWCYPPC-OLZOCXBDSA-N 1 0 253.390 2.055 10 0 CEAERO CCN[C@@](C)(C[C@H](C)[N@H+](C)CC1CC1)C(=O)OCC ZINC000084313767 178855805 /nfs/dbraw/zinc/85/58/05/178855805.db2.gz WZPLDPMJEAPKAU-WFASDCNBSA-N 1 0 270.417 2.038 10 0 CEAERO CC(C)C[NH+](CC(C)C)[C@@H](C)C[C@](C)([NH3+])C(=O)[O-] ZINC000084314461 178857212 /nfs/dbraw/zinc/85/72/12/178857212.db2.gz QLWDUOHHRDWLIJ-JSGCOSHPSA-N 1 0 258.406 2.181 10 0 CEAERO Cc1ccccc1CS(=O)(=O)[C@H](C)C[C@H](C)[NH3+] ZINC000084357658 178868432 /nfs/dbraw/zinc/86/84/32/178868432.db2.gz NREBBKLKUAKKQH-NWDGAFQWSA-N 1 0 255.383 2.036 10 0 CEAERO CCn1cc(C2CC[NH+](CCCC(=O)OC)CC2)cn1 ZINC000116389880 232200335 /nfs/dbraw/zinc/20/03/35/232200335.db2.gz RKQCRCLFLBROHP-UHFFFAOYSA-N 1 0 279.384 2.036 10 0 CEAERO [NH3+][C@@H]1CCC[C@H](S(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000084430121 178885789 /nfs/dbraw/zinc/88/57/89/178885789.db2.gz FYGZHRVMJYMFBH-BDAKNGLRSA-N 1 0 275.320 2.008 10 0 CEAERO C[NH2+][C@H]1CC[C@@H](S(=O)(=O)c2ccc(C)c(C)c2)C1 ZINC000084433106 178887247 /nfs/dbraw/zinc/88/72/47/178887247.db2.gz KOBNRZWGUNAPOI-GXTWGEPZSA-N 1 0 267.394 2.218 10 0 CEAERO [NH3+]C[C@@H]1CCCN1Cc1cc(-c2ccccc2)no1 ZINC000123428972 232206371 /nfs/dbraw/zinc/20/63/71/232206371.db2.gz ZQLMJNQEBCVDTD-ZDUSSCGKSA-N 1 0 257.337 2.265 10 0 CEAERO CCCn1nccc1[C@@H]([NH3+])c1cccc(OC)c1OC ZINC000097184768 185557318 /nfs/dbraw/zinc/55/73/18/185557318.db2.gz PHVSQXNOIUXENU-AWEZNQCLSA-N 1 0 275.352 2.358 10 0 CEAERO CCCn1nccc1[C@@H]([NH3+])Cn1cnc2ccccc21 ZINC000097184143 185557555 /nfs/dbraw/zinc/55/75/55/185557555.db2.gz MENBQZSUKAMOAG-LBPRGKRZSA-N 1 0 269.352 2.343 10 0 CEAERO CCC[NH2+][C@@H](Cc1ncnn1C)c1ccc(C)nc1C ZINC000097275202 185575218 /nfs/dbraw/zinc/57/52/18/185575218.db2.gz MEXLXDVNBIIGEE-AWEZNQCLSA-N 1 0 273.384 2.110 10 0 CEAERO OC[C@@]1(Cc2cccc(Br)c2)CCC[NH2+]C1 ZINC000084684239 178913937 /nfs/dbraw/zinc/91/39/37/178913937.db2.gz SDLUUAOZRWUZRK-CYBMUJFWSA-N 1 0 284.197 2.354 10 0 CEAERO C[NH+](C)C[C@H]1C[C@H](O)CN1c1ccc(C(F)(F)F)cc1 ZINC000097254492 185572366 /nfs/dbraw/zinc/57/23/66/185572366.db2.gz MBQKQRNNTVGZEL-OLZOCXBDSA-N 1 0 288.313 2.207 10 0 CEAERO CCC[NH2+][C@H](Cc1ncnn1C)c1ccc(C)nc1C ZINC000097275203 185575568 /nfs/dbraw/zinc/57/55/68/185575568.db2.gz MEXLXDVNBIIGEE-CQSZACIVSA-N 1 0 273.384 2.110 10 0 CEAERO C[NH2+][C@@H](Cc1c(Cl)c(C)nn1C)C[C@H](C)COC ZINC000097274076 185575604 /nfs/dbraw/zinc/57/56/04/185575604.db2.gz XSFGPNJYRVFURH-GXSJLCMTSA-N 1 0 273.808 2.185 10 0 CEAERO CCn1ncnc1C[C@@H]([NH3+])[C@@H]1CCCc2sccc21 ZINC000097280189 185577469 /nfs/dbraw/zinc/57/74/69/185577469.db2.gz ZCWJEAVTFKWZFK-ZYHUDNBSSA-N 1 0 276.409 2.349 10 0 CEAERO CC(C)Cn1ncnc1C[C@H]([NH3+])CC1CCSCC1 ZINC000097278346 185577799 /nfs/dbraw/zinc/57/77/99/185577799.db2.gz IVNQHLJNMWXENA-CYBMUJFWSA-N 1 0 282.457 2.337 10 0 CEAERO CCn1nc(C)cc1C[C@H]([NH3+])c1ccc(C)nc1C ZINC000097281460 185578501 /nfs/dbraw/zinc/57/85/01/185578501.db2.gz JSPBVAJYJOFYRM-HNNXBMFYSA-N 1 0 258.369 2.466 10 0 CEAERO Cc1nn(C)c(C)c1[C@H]([NH3+])[C@@H]1CCc2cccnc21 ZINC000097305456 185582496 /nfs/dbraw/zinc/58/24/96/185582496.db2.gz LCBSLJXAIKVFDQ-GXTWGEPZSA-N 1 0 256.353 2.162 10 0 CEAERO [NH3+][C@H](C[C@@H]1CCS(=O)(=O)C1)c1cccc2cccnc21 ZINC000097344441 185587153 /nfs/dbraw/zinc/58/71/53/185587153.db2.gz FGLBWAFEOBLJLK-SMDDNHRTSA-N 1 0 290.388 2.059 10 0 CEAERO Cc1nc(C[C@@H]([NH3+])c2cnn(C)c2C)sc1C ZINC000097342822 185587301 /nfs/dbraw/zinc/58/73/01/185587301.db2.gz UVYKBEQIJJUBDY-LLVKDONJSA-N 1 0 250.371 2.044 10 0 CEAERO [NH3+][C@H](C[C@@H]1CCS(=O)(=O)C1)c1ccc2ncccc2c1 ZINC000097344139 185587686 /nfs/dbraw/zinc/58/76/86/185587686.db2.gz DEQRYXYKIVJQCM-SMDDNHRTSA-N 1 0 290.388 2.059 10 0 CEAERO OC[C@@]1(Cc2ccc(Br)s2)CCC[NH2+]C1 ZINC000085039160 178943701 /nfs/dbraw/zinc/94/37/01/178943701.db2.gz LCPMNLQQVVOLTN-LLVKDONJSA-N 1 0 290.226 2.415 10 0 CEAERO CCC[NH2+][C@H](c1ncc(OC)nc1OC)[C@H]1CCCS1 ZINC000097387206 185596381 /nfs/dbraw/zinc/59/63/81/185596381.db2.gz ZNIQQRLFXOOWCQ-PWSUYJOCSA-N 1 0 297.424 2.430 10 0 CEAERO CCn1nc(C)c(Br)c1CC1(C[NH3+])CC1 ZINC000085033716 178944037 /nfs/dbraw/zinc/94/40/37/178944037.db2.gz HZGPVAWKXHMEMH-UHFFFAOYSA-N 1 0 272.190 2.255 10 0 CEAERO C[C@H]1CC[C@H](NC(=O)C2CCC([NH3+])CC2)C[C@@H]1C ZINC000085058992 178944960 /nfs/dbraw/zinc/94/49/60/178944960.db2.gz UASFPRBPOMURBF-LFSIAQGGSA-N 1 0 252.402 2.445 10 0 CEAERO COC(=O)C[C@H](c1cccc(OC(C)C)c1)[C@H](C)[NH3+] ZINC000097431170 185601707 /nfs/dbraw/zinc/60/17/07/185601707.db2.gz AGCASWNLXDNARC-FZMZJTMJSA-N 1 0 265.353 2.468 10 0 CEAERO COC(=O)C[C@](C)(c1ccc(F)cc1F)[C@H](C)[NH3+] ZINC000097430798 185601882 /nfs/dbraw/zinc/60/18/82/185601882.db2.gz JMOFMQJJKPVXRW-SDBXPKJASA-N 1 0 257.280 2.133 10 0 CEAERO C[C@@](O)(C[NH2+]C1CC1)Cc1ccc(Br)cc1 ZINC000085078586 178948066 /nfs/dbraw/zinc/94/80/66/178948066.db2.gz QDFTXALSAXNJKQ-ZDUSSCGKSA-N 1 0 284.197 2.495 10 0 CEAERO CCC(CC)n1ccc(CN(C)[C@@H]2CC[NH2+]C2)n1 ZINC000085180921 178964256 /nfs/dbraw/zinc/96/42/56/178964256.db2.gz CTAOWEDVOLQYKE-CQSZACIVSA-N 1 0 250.390 2.038 10 0 CEAERO Cc1nc2ccccc2nc1N1C[C@H](C)C[C@H]([NH3+])C1 ZINC000094553684 136514191 /nfs/dbraw/zinc/51/41/91/136514191.db2.gz MZEAZVNPELNZFQ-PWSUYJOCSA-N 1 0 256.353 2.112 10 0 CEAERO c1cnc2nc(N3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)ccc2n1 ZINC000094726370 136514704 /nfs/dbraw/zinc/51/47/04/136514704.db2.gz RXKHFDSJOSNCDJ-GXTWGEPZSA-N 1 0 283.379 2.136 10 0 CEAERO CCn1c(C)nnc1CN(C)[C@@H](C)Cc1ccc(O)cc1 ZINC000177999276 232367815 /nfs/dbraw/zinc/36/78/15/232367815.db2.gz WBQCVCQFMAPARE-LBPRGKRZSA-N 1 0 288.395 2.375 10 0 CEAERO CC[NH2+][C@](C)(CO)C[C@H](C)n1cc(C(F)(F)F)cn1 ZINC000085262908 178993155 /nfs/dbraw/zinc/99/31/55/178993155.db2.gz QAXDTAKCYFWENZ-ONGXEEELSA-N 1 0 279.306 2.214 10 0 CEAERO CCn1nccc1[C@@H](NN)C1([NH+]2CCCCC2)CCCC1 ZINC000097588667 185633806 /nfs/dbraw/zinc/63/38/06/185633806.db2.gz LNNJSHQRTHABPR-OAHLLOKOSA-N 1 0 291.443 2.206 10 0 CEAERO CC[NH+](CC)CC[C@@H](NN)[C@H]1CCCc2cccnc21 ZINC000097592053 185635056 /nfs/dbraw/zinc/63/50/56/185635056.db2.gz SWBQYEGNBUMNDP-HUUCEWRRSA-N 1 0 276.428 2.065 10 0 CEAERO CC(C)[NH2+][C@](CO)(COC1CCCCC1)C1CC1 ZINC000085282716 179000419 /nfs/dbraw/zinc/00/04/19/179000419.db2.gz BGGFMMZKPSNHDZ-OAHLLOKOSA-N 1 0 255.402 2.475 10 0 CEAERO COc1ccc(OCC[C@@H]([NH3+])CO)c(C(C)(C)C)c1 ZINC000085283114 179000637 /nfs/dbraw/zinc/00/06/37/179000637.db2.gz GLALCGBHBMNJRV-LLVKDONJSA-N 1 0 267.369 2.081 10 0 CEAERO CC[NH2+][C@@](C)(CO)C[C@@H](C)Oc1ccc(F)cc1F ZINC000085283050 179000804 /nfs/dbraw/zinc/00/08/04/179000804.db2.gz IVFFXZWFECJDEJ-QMTHXVAHSA-N 1 0 273.323 2.483 10 0 CEAERO C[NH2+][C@](C)(CO)COc1ccc(C(C)C)c(C)c1 ZINC000085284256 179001950 /nfs/dbraw/zinc/00/19/50/179001950.db2.gz DMUUGHDERVEIIX-OAHLLOKOSA-N 1 0 251.370 2.468 10 0 CEAERO CCC[NH2+][C@H](CO)CCOc1ccc(CC)cc1 ZINC000085284058 179002145 /nfs/dbraw/zinc/00/21/45/179002145.db2.gz HYXRUZKCIRQOGA-AWEZNQCLSA-N 1 0 251.370 2.378 10 0 CEAERO CCC[NH2+][C@H](CO)CCOc1cc(F)cc(F)c1 ZINC000085265131 178995368 /nfs/dbraw/zinc/99/53/68/178995368.db2.gz DGMYEHHDYIJESL-LBPRGKRZSA-N 1 0 259.296 2.094 10 0 CEAERO CC[C@H]1CCCC[C@@H]1OC[C@@](C)(CO)[NH2+]C1CC1 ZINC000085268656 178997450 /nfs/dbraw/zinc/99/74/50/178997450.db2.gz NTRFEIVXAXSTFS-AEGPPILISA-N 1 0 255.402 2.475 10 0 CEAERO CCc1ccccc1O[C@H](C)C[C@@](C)(CO)[NH2+]C ZINC000085286399 179003912 /nfs/dbraw/zinc/00/39/12/179003912.db2.gz FKGPGBKUDTXVSO-DOMZBBRYSA-N 1 0 251.370 2.377 10 0 CEAERO CC[NH2+][C@@H](CO)CCOc1cc(C)cc(C)c1C ZINC000085286082 179004240 /nfs/dbraw/zinc/00/42/40/179004240.db2.gz WYWJTELLWUQJFI-CQSZACIVSA-N 1 0 251.370 2.351 10 0 CEAERO CC[NH2+][C@@](C)(CO)CSc1nc2cc(C)ccc2[nH]1 ZINC000085288337 179005158 /nfs/dbraw/zinc/00/51/58/179005158.db2.gz WRVWTRSAPLVNCG-AWEZNQCLSA-N 1 0 279.409 2.324 10 0 CEAERO [NH3+][C@](CO)(CSc1ccc(F)cc1F)C1CC1 ZINC000085298286 179009176 /nfs/dbraw/zinc/00/91/76/179009176.db2.gz DFWFRZIBQXNNEK-GFCCVEGCSA-N 1 0 259.321 2.157 10 0 CEAERO CC[NH2+][C@@](C)(CO)CSc1ccc(F)c(F)c1 ZINC000085298128 179009340 /nfs/dbraw/zinc/00/93/40/179009340.db2.gz PCZNRBIBHQQHTB-LBPRGKRZSA-N 1 0 261.337 2.417 10 0 CEAERO C[NH2+][C@](CO)(COc1ccccc1)c1ccccc1 ZINC000085285229 179003032 /nfs/dbraw/zinc/00/30/32/179003032.db2.gz XNQYWWFVPNNBBC-MRXNPFEDSA-N 1 0 257.333 2.173 10 0 CEAERO CC[NH2+][C@](C)(CO)CCCOc1ccc(OC)cc1 ZINC000085285669 179003177 /nfs/dbraw/zinc/00/31/77/179003177.db2.gz UIGVLEIATXLIPU-HNNXBMFYSA-N 1 0 267.369 2.215 10 0 CEAERO Cc1cccc(N(C)CCCC[C@](C)(O)C[NH3+])c1 ZINC000085303456 179011165 /nfs/dbraw/zinc/01/11/65/179011165.db2.gz LJLKTJMHHZZVOF-HNNXBMFYSA-N 1 0 250.386 2.311 10 0 CEAERO COc1ccccc1N(C)CCCC[C@](C)(O)C[NH3+] ZINC000085303427 179011327 /nfs/dbraw/zinc/01/13/27/179011327.db2.gz VLYNSWCONWHYCL-HNNXBMFYSA-N 1 0 266.385 2.011 10 0 CEAERO CCCOc1ccc(O[C@H](C)C[C@@](C)(O)C[NH3+])cc1 ZINC000085307416 179012559 /nfs/dbraw/zinc/01/25/59/179012559.db2.gz FLDXXESATNBGED-IUODEOHRSA-N 1 0 267.369 2.343 10 0 CEAERO CCC[NH2+][C@H](CCO)c1cc(OC)ccc1OC ZINC000085320630 179014244 /nfs/dbraw/zinc/01/42/44/179014244.db2.gz GDDNIPXQALQIPA-CYBMUJFWSA-N 1 0 253.342 2.127 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)N1CCN(CC2CC2)c2ccccc21 ZINC000236921784 136526732 /nfs/dbraw/zinc/52/67/32/136526732.db2.gz PWGZCANTNZYMSQ-CQSZACIVSA-N 1 0 287.407 2.377 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000085355407 179030423 /nfs/dbraw/zinc/03/04/23/179030423.db2.gz NEVXBKULGNHGFB-NJGYJLRPSA-N 1 0 262.397 2.199 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)NCc1ccc(Cl)cc1 ZINC000085357631 179030958 /nfs/dbraw/zinc/03/09/58/179030958.db2.gz FSVJKHSPQAILGV-VXGBXAGGSA-N 1 0 252.745 2.084 10 0 CEAERO C[C@H](NC(=O)[C@H]1CCCC[C@@H]1[NH3+])c1cccs1 ZINC000085358549 179031484 /nfs/dbraw/zinc/03/14/84/179031484.db2.gz VQBLCJJZZILWHY-DCAQKATOSA-N 1 0 252.383 2.443 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1CCCC[C@@H]1[NH3+])c1cccc(O)c1 ZINC000085359757 179031822 /nfs/dbraw/zinc/03/18/22/179031822.db2.gz AGWJXPXNXNHATP-HONMWMINSA-N 1 0 262.353 2.087 10 0 CEAERO CCOCc1ccccc1NC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085359274 179031835 /nfs/dbraw/zinc/03/18/35/179031835.db2.gz PTQSHELFQYUXFI-QWHCGFSZSA-N 1 0 262.353 2.289 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1cccnc1N1CCCC1 ZINC000085360222 179032335 /nfs/dbraw/zinc/03/23/35/179032335.db2.gz CYLWZTIJFXKHIT-STQMWFEESA-N 1 0 288.395 2.138 10 0 CEAERO Cc1cc(N(C)C)ccc1NC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085360280 179032618 /nfs/dbraw/zinc/03/26/18/179032618.db2.gz NPDMTKZFDWETJD-QWHCGFSZSA-N 1 0 261.369 2.127 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc2ncccc2c1 ZINC000061416279 362680327 /nfs/dbraw/zinc/68/03/27/362680327.db2.gz RNPIJFCEPSQSNE-AWEZNQCLSA-N 1 0 269.348 2.188 10 0 CEAERO CN(CCCNC(=O)[C@H]1CCCC[C@@H]1[NH3+])c1ccccc1 ZINC000085355806 179030094 /nfs/dbraw/zinc/03/00/94/179030094.db2.gz NSURUBVCTMYQBM-HOTGVXAUSA-N 1 0 289.423 2.147 10 0 CEAERO CN(C(=O)[C@H]1CCC[C@@H]1[NH3+])C1C2CC3CC(C2)CC1C3 ZINC000085368271 179038015 /nfs/dbraw/zinc/03/80/15/179038015.db2.gz LGGHHVRKBKDZFY-CYNAHEBQSA-N 1 0 276.424 2.397 10 0 CEAERO CCN(C(=O)[C@H]1CCC[C@@H]1[NH3+])[C@H](C)c1cccc(O)c1 ZINC000085369523 179039148 /nfs/dbraw/zinc/03/91/48/179039148.db2.gz UOMWDWPMKNCYBZ-UGFHNGPFSA-N 1 0 276.380 2.429 10 0 CEAERO CC(=O)c1cccc(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000085372109 179041572 /nfs/dbraw/zinc/04/15/72/179041572.db2.gz ZMAQRRVXOCICNV-ZIAGYGMSSA-N 1 0 260.337 2.345 10 0 CEAERO COc1ccccc1[C@@H](C)NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085371579 179041829 /nfs/dbraw/zinc/04/18/29/179041829.db2.gz BYHRDIABSGTJNS-XBFCOCLRSA-N 1 0 276.380 2.390 10 0 CEAERO Cc1occc1CN(C)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085372396 179042094 /nfs/dbraw/zinc/04/20/94/179042094.db2.gz JIEZTDNOHMEBNQ-CHWSQXEVSA-N 1 0 250.342 2.064 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)NCc1ccccc1Br ZINC000085372362 179042095 /nfs/dbraw/zinc/04/20/95/179042095.db2.gz NKFJJVHTCFHPTL-JQWIXIFHSA-N 1 0 297.196 2.193 10 0 CEAERO COc1ccc(Cl)c(NC(=O)[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000085372947 179042244 /nfs/dbraw/zinc/04/22/44/179042244.db2.gz OHNCXRKUERSIMO-ONGXEEELSA-N 1 0 268.744 2.415 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1nc2c(s1)CCCC2 ZINC000085372716 179042396 /nfs/dbraw/zinc/04/23/96/179042396.db2.gz IQEBPLGESDLQMQ-ZJUUUORDSA-N 1 0 279.409 2.478 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)N1CC[C@H](c2ccccc2)C1 ZINC000085373782 179042686 /nfs/dbraw/zinc/04/26/86/179042686.db2.gz GREADKDXPQFRHJ-KKUMJFAQSA-N 1 0 258.365 2.130 10 0 CEAERO COc1ccc(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])c(C)c1 ZINC000085374491 179043216 /nfs/dbraw/zinc/04/32/16/179043216.db2.gz RDWXAPXVHQJSME-CHWSQXEVSA-N 1 0 262.353 2.460 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)N1CCCc2ccccc2C1 ZINC000085375016 179043385 /nfs/dbraw/zinc/04/33/85/179043385.db2.gz LYFGIOXTPWJQMT-HOTGVXAUSA-N 1 0 272.392 2.479 10 0 CEAERO FC(F)(F)CN(C[C@@H]1CCCCO1)C1CC[NH2+]CC1 ZINC000085402891 179052133 /nfs/dbraw/zinc/05/21/33/179052133.db2.gz CIADSYBDEYNBHR-LBPRGKRZSA-N 1 0 280.334 2.172 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1cccc2ncccc21 ZINC000061883738 362694670 /nfs/dbraw/zinc/69/46/70/362694670.db2.gz YDLDQZVNIIDGBR-SMDDNHRTSA-N 1 0 269.348 2.092 10 0 CEAERO C[NH2+][C@@H](Cc1cc(F)ccc1C)[C@H]1CSCCO1 ZINC000097853931 185673602 /nfs/dbraw/zinc/67/36/02/185673602.db2.gz HVIAOAMYSWTXLQ-UONOGXRCSA-N 1 0 269.385 2.397 10 0 CEAERO [NH3+][C@H]1Cc2ccccc2[C@H]1Nc1ncncc1Cl ZINC000097848784 185673697 /nfs/dbraw/zinc/67/36/97/185673697.db2.gz HILZOQKQOZEMLX-NWDGAFQWSA-N 1 0 260.728 2.167 10 0 CEAERO C[C@@H](NC(=O)[C@H]1CC[NH2+]C1)c1cccc(Br)c1 ZINC000062113242 362707272 /nfs/dbraw/zinc/70/72/72/362707272.db2.gz FFVVLUKELUDSIV-KOLCDFICSA-N 1 0 297.196 2.236 10 0 CEAERO CC(C)[NH+]1CCN(c2cc(-c3ccncc3)[nH]n2)CC1 ZINC000085431026 179059717 /nfs/dbraw/zinc/05/97/17/179059717.db2.gz OKLKNJJZTPKEBL-UHFFFAOYSA-N 1 0 271.368 2.002 10 0 CEAERO CCc1ccc(CN2CC[NH2+][C@@H](C3CC3)C2)s1 ZINC000085434812 179060888 /nfs/dbraw/zinc/06/08/88/179060888.db2.gz AODNWJPFZRAGAP-CQSZACIVSA-N 1 0 250.411 2.494 10 0 CEAERO CCC[C@H]1CN(CCCOCC(F)(F)F)CC[NH2+]1 ZINC000085434698 179060906 /nfs/dbraw/zinc/06/09/06/179060906.db2.gz MVPGJRIHYIBDSR-NSHDSACASA-N 1 0 268.323 2.029 10 0 CEAERO CC(C)(C)CC(C)(C)[NH2+]Cc1cnn(CCO)c1 ZINC000085433520 179060916 /nfs/dbraw/zinc/06/09/16/179060916.db2.gz GXOMAMBUGYANNX-UHFFFAOYSA-N 1 0 253.390 2.180 10 0 CEAERO CCC[C@@H]1CN(Cc2ccn(C(C)C)n2)CC[NH2+]1 ZINC000085434689 179061252 /nfs/dbraw/zinc/06/12/52/179061252.db2.gz ZGETYRCCRQEGQC-CYBMUJFWSA-N 1 0 250.390 2.038 10 0 CEAERO c1cc(CN2CC[NH2+][C@H](C3CCCCC3)C2)ccn1 ZINC000085435534 179061980 /nfs/dbraw/zinc/06/19/80/179061980.db2.gz ILFJGBJVYKYPTI-INIZCTEOSA-N 1 0 259.397 2.436 10 0 CEAERO CC[C@H](C)[C@H]1CN[C@H](C(C)C)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085466808 179071660 /nfs/dbraw/zinc/07/16/60/179071660.db2.gz UFGKWJKMHXCJCE-YHUYYLMFSA-N 1 0 268.445 2.367 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@@H]1Oc1ncncc1Br ZINC000085468066 179073535 /nfs/dbraw/zinc/07/35/35/179073535.db2.gz JDWUWLCCUVRNQJ-SCZZXKLOSA-N 1 0 286.173 2.135 10 0 CEAERO CC[C@]1(C)C[NH2+]CCN1Cc1ccc(OC)c(F)c1 ZINC000085452069 179065810 /nfs/dbraw/zinc/06/58/10/179065810.db2.gz BFWWWZWVHPZMNJ-OAHLLOKOSA-N 1 0 266.360 2.408 10 0 CEAERO CCC[C@H]1C[NH2+][C@@H](C)CN1Cc1ccn(C(C)C)n1 ZINC000085453525 179066701 /nfs/dbraw/zinc/06/67/01/179066701.db2.gz NDNXREMTWKZRSQ-ZFWWWQNUSA-N 1 0 264.417 2.426 10 0 CEAERO C([C@@H]1CCCCO1)[N@@H+]1CCNC[C@@H]1C1CCCCC1 ZINC000085452965 179066888 /nfs/dbraw/zinc/06/68/88/179066888.db2.gz ZGEASLLWRLJJEK-JKSUJKDBSA-N 1 0 266.429 2.410 10 0 CEAERO CCn1cc(CN2C[C@@H](C)[NH2+]C[C@@H]2C(C)(C)C)cn1 ZINC000085454773 179068008 /nfs/dbraw/zinc/06/80/08/179068008.db2.gz GQNYNPWMEINPTH-TZMCWYRMSA-N 1 0 264.417 2.111 10 0 CEAERO CC[C@@H]1CN(C[C@@H]2CCCCO2)[C@H](C2CC2)C[NH2+]1 ZINC000085473416 179078154 /nfs/dbraw/zinc/07/81/54/179078154.db2.gz JWSBYJAGHUPYPD-ILXRZTDVSA-N 1 0 252.402 2.018 10 0 CEAERO CC[C@H](C)[C@@H]1C[N@H+](CCOC)[C@H]([C@@H](C)CC)CN1 ZINC000085491791 179080822 /nfs/dbraw/zinc/08/08/22/179080822.db2.gz CWTZUFQBLREIIL-AJNGGQMLSA-N 1 0 256.434 2.367 10 0 CEAERO CC[C@H](C)[C@@H]1CNC(C)(C)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085470327 179075082 /nfs/dbraw/zinc/07/50/82/179075082.db2.gz MTRMFCQVGKNLBB-IHRRRGAJSA-N 1 0 254.418 2.121 10 0 CEAERO CC(C)C[C@@H]1CNC(C)(C)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085470491 179075339 /nfs/dbraw/zinc/07/53/39/179075339.db2.gz MOJPZJXWEGIEID-UONOGXRCSA-N 1 0 254.418 2.121 10 0 CEAERO CCCCOCCN1CC(C)(C)[NH2+]C[C@H]1C1CC1 ZINC000085470577 179076130 /nfs/dbraw/zinc/07/61/30/179076130.db2.gz DBNGAALNUODAAJ-AWEZNQCLSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@H]1CN[C@@](C)(CC)C[N@@H+]1CCCn1ccnc1 ZINC000085494459 179081989 /nfs/dbraw/zinc/08/19/89/179081989.db2.gz TVZQJTGKADJFBP-GJZGRUSLSA-N 1 0 264.417 2.126 10 0 CEAERO CC(C)c1ncc(Cl)c(C(=O)N2CC[C@H]([NH+](C)C)C2)n1 ZINC000062969379 362737231 /nfs/dbraw/zinc/73/72/31/362737231.db2.gz OYBQYXGSRZIZSM-JTQLQIEISA-N 1 0 296.802 2.030 10 0 CEAERO CC[C@@]1(C)CN[C@@H](c2ccccc2)C[N@@H+]1CCOC ZINC000085508030 179085810 /nfs/dbraw/zinc/08/58/10/179085810.db2.gz XPPCEAYEPWXOGI-CVEARBPZSA-N 1 0 262.397 2.448 10 0 CEAERO CC(C)C[C@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1ncccn1 ZINC000085513200 179086257 /nfs/dbraw/zinc/08/62/57/179086257.db2.gz AHEPWHNDYYVDKN-RDJZCZTQSA-N 1 0 288.439 2.465 10 0 CEAERO CC(C)C[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1ncccn1 ZINC000085513191 179086539 /nfs/dbraw/zinc/08/65/39/179086539.db2.gz AHEPWHNDYYVDKN-NVXWUHKLSA-N 1 0 288.439 2.465 10 0 CEAERO C[C@@]1(C2CC2)CN(CC(F)(F)F)[C@H](C2CC2)C[NH2+]1 ZINC000085513738 179086758 /nfs/dbraw/zinc/08/67/58/179086758.db2.gz AIPAWIUFEKSDAQ-RYUDHWBXSA-N 1 0 262.319 2.401 10 0 CEAERO C[C@]1(C2CC2)C[N@H+](C[C@@H]2CCOC2)C2(CCCC2)CN1 ZINC000085515885 179087430 /nfs/dbraw/zinc/08/74/30/179087430.db2.gz CPLCZXLMCHTDMQ-GOEBONIOSA-N 1 0 278.440 2.410 10 0 CEAERO C[C@H]1C[NH2+][C@H](C2CC2)CN1CCOc1ccccc1 ZINC000085521174 179087960 /nfs/dbraw/zinc/08/79/60/179087960.db2.gz KPTWCNHRBVHVKB-BBRMVZONSA-N 1 0 260.381 2.138 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C2CC2)CN1Cc1cccc(OC)n1 ZINC000085522580 179088374 /nfs/dbraw/zinc/08/83/74/179088374.db2.gz JMJGDGCPKDGHRP-HUUCEWRRSA-N 1 0 275.396 2.053 10 0 CEAERO CC(C)[C@H]1C[NH2+][C@H](C2CC2)CN1Cc1ccccn1 ZINC000085524343 179088534 /nfs/dbraw/zinc/08/85/34/179088534.db2.gz DDENHOHZGNWGDX-JKSUJKDBSA-N 1 0 259.397 2.290 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C2CC2)CN1Cc1cccc(OC)n1 ZINC000085522583 179088635 /nfs/dbraw/zinc/08/86/35/179088635.db2.gz JMJGDGCPKDGHRP-LSDHHAIUSA-N 1 0 275.396 2.053 10 0 CEAERO CC[C@@]1(C)C[N@H+](CCCn2ccnc2)C(C)(C)CN1 ZINC000085496324 179083374 /nfs/dbraw/zinc/08/33/74/179083374.db2.gz JLAYDJMFGTWKJO-HNNXBMFYSA-N 1 0 264.417 2.126 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](c2ccccc2)CN1Cc1cnn(C)c1 ZINC000085505603 179084034 /nfs/dbraw/zinc/08/40/34/179084034.db2.gz GJOKGJCBYLONQU-IAGOWNOFSA-N 1 0 284.407 2.345 10 0 CEAERO CC[C@H]1CN[C@H](c2ccccc2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085505517 179084290 /nfs/dbraw/zinc/08/42/90/179084290.db2.gz ZQWPDMGQHXDUBZ-XIRDDKMYSA-N 1 0 274.408 2.448 10 0 CEAERO CCC[C@H]1C[NH2+][C@@H](C2CC2)CN1CC(F)(F)F ZINC000085523720 179088731 /nfs/dbraw/zinc/08/87/31/179088731.db2.gz CVDJPZBBQOUYFA-WDEREUQCSA-N 1 0 250.308 2.401 10 0 CEAERO COc1ccc(CN2C[C@@H](C3CC3)[NH2+]C[C@@H]2C)cc1 ZINC000085521851 179088971 /nfs/dbraw/zinc/08/89/71/179088971.db2.gz IWJPVSMHVHNBGG-LRDDRELGSA-N 1 0 260.381 2.268 10 0 CEAERO C([C@@H]1CCCO1)[N@@H+]1C[C@@H](C2CC2)NCC12CCCC2 ZINC000085529085 179090332 /nfs/dbraw/zinc/09/03/32/179090332.db2.gz PWVCLDRJOQUQLH-GJZGRUSLSA-N 1 0 264.413 2.162 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@@H](C2CC2)CN1Cc1cccc(OC)n1 ZINC000085528444 179090353 /nfs/dbraw/zinc/09/03/53/179090353.db2.gz IHFLABSFHMQBHB-WBVHZDCISA-N 1 0 289.423 2.443 10 0 CEAERO COCCOCCN1C[C@H](C2CC2)[NH2+]CC12CCCCC2 ZINC000085529280 179090530 /nfs/dbraw/zinc/09/05/30/179090530.db2.gz UHODQQQAMWQTOK-MRXNPFEDSA-N 1 0 296.455 2.036 10 0 CEAERO COCCC[N@@H+]1C[C@H](C2CC2)NC[C@@H]1Cc1ccccc1 ZINC000085527532 179090559 /nfs/dbraw/zinc/09/05/59/179090559.db2.gz XQUOVFCQXIVXAJ-ZWKOTPCHSA-N 1 0 288.435 2.318 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C2CCCCC2)CN1[C@@H]1CCOC1 ZINC000085529883 179091620 /nfs/dbraw/zinc/09/16/20/179091620.db2.gz AWFJBYLPGPUZNC-OAGGEKHMSA-N 1 0 266.429 2.408 10 0 CEAERO Cc1ccc(F)c(O[C@@H](c2cnn(C)c2)[C@H](C)[NH3+])c1 ZINC000085533358 179091843 /nfs/dbraw/zinc/09/18/43/179091843.db2.gz UMJNMIYTFRZOIV-IINYFYTJSA-N 1 0 263.316 2.335 10 0 CEAERO Cc1ccc(F)c(O[C@H](C)C[C@](C)([NH2+]C2CC2)C(N)=O)c1 ZINC000085560173 179093609 /nfs/dbraw/zinc/09/36/09/179093609.db2.gz PPPPDJDDOIOKPW-BZNIZROVSA-N 1 0 294.370 2.288 10 0 CEAERO CCc1nc2c(n1-c1cccc(OC)c1)CC[NH2+]C2 ZINC000085568077 179095471 /nfs/dbraw/zinc/09/54/71/179095471.db2.gz BBTATFJHJSPWFN-UHFFFAOYSA-N 1 0 257.337 2.089 10 0 CEAERO COC[C@H](C)Cn1c2c(nc1C(C)(C)C)C[NH2+]CC2 ZINC000085573261 179098304 /nfs/dbraw/zinc/09/83/04/179098304.db2.gz WIPBAAGHKNSYGJ-LLVKDONJSA-N 1 0 265.401 2.109 10 0 CEAERO CCc1nc2c(n1-c1ccc(F)cc1OC)CC[NH2+]C2 ZINC000085573241 179098493 /nfs/dbraw/zinc/09/84/93/179098493.db2.gz XUXLBFKPONMDJT-UHFFFAOYSA-N 1 0 275.327 2.228 10 0 CEAERO COCC[C@@H](C)n1c2c(nc1C(F)(F)F)C[NH2+]CC2 ZINC000085575278 179099311 /nfs/dbraw/zinc/09/93/11/179099311.db2.gz DDLHRGXCENAHNK-MRVPVSSYSA-N 1 0 277.290 2.145 10 0 CEAERO CC(C)n1ccc(CN2CCC[NH2+]C(C)(C)C2)n1 ZINC000085611704 179102423 /nfs/dbraw/zinc/10/24/23/179102423.db2.gz XADBDSHLLCUWIB-UHFFFAOYSA-N 1 0 250.390 2.038 10 0 CEAERO CC1(C)CN(C[C@H]2OCCc3ccccc32)CCC[NH2+]1 ZINC000085611637 179103166 /nfs/dbraw/zinc/10/31/66/179103166.db2.gz CLKPGJHJRFRPRX-MRXNPFEDSA-N 1 0 274.408 2.374 10 0 CEAERO C[C@]1(c2ccccc2)CN(Cc2ncccn2)CCC[NH2+]1 ZINC000085615582 179104555 /nfs/dbraw/zinc/10/45/55/179104555.db2.gz FHWQKJPQIHIIRD-QGZVFWFLSA-N 1 0 282.391 2.187 10 0 CEAERO Cc1cnc(C)c(NCCC[NH2+]Cc2cccnc2)n1 ZINC000063197217 362759471 /nfs/dbraw/zinc/75/94/71/362759471.db2.gz KCNLFHWCMOXBJM-UHFFFAOYSA-N 1 0 271.368 2.080 10 0 CEAERO COc1ccc(CN2CC[NH2+]CC[C@H]2C)cc1F ZINC000085622373 179105919 /nfs/dbraw/zinc/10/59/19/179105919.db2.gz PJTOEKKZXFJUAP-LLVKDONJSA-N 1 0 252.333 2.018 10 0 CEAERO C[C@H]1CCN[C@H](Cc2ccccc2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085618976 179106126 /nfs/dbraw/zinc/10/61/26/179106126.db2.gz UGWAJZPRCVCTIA-RYQLBKOJSA-N 1 0 288.435 2.318 10 0 CEAERO Cc1c([C@H](C)[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)cnn1C ZINC000085635122 179109038 /nfs/dbraw/zinc/10/90/38/179109038.db2.gz ZYBRWQUUBMFXFG-RETIQXCHSA-N 1 0 263.385 2.193 10 0 CEAERO Cc1c([C@@H](C)[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)cnn1C ZINC000085635120 179109072 /nfs/dbraw/zinc/10/90/72/179109072.db2.gz ZYBRWQUUBMFXFG-OJDJGZDQSA-N 1 0 263.385 2.193 10 0 CEAERO CC1(C)[C@H]([NH2+]CCc2nccs2)[C@@H]2CCO[C@@H]21 ZINC000085638344 179109977 /nfs/dbraw/zinc/10/99/77/179109977.db2.gz QQDPFCJNUBFNEZ-WCQGTBRESA-N 1 0 252.383 2.089 10 0 CEAERO Cc1cc([C@@H]2C[C@]2(C[NH3+])CO)ccc1Br ZINC000085708581 179123104 /nfs/dbraw/zinc/12/31/04/179123104.db2.gz ZNKVEFFPHPXZFU-JQWIXIFHSA-N 1 0 270.170 2.182 10 0 CEAERO Cc1cc([C@@H]2NC(=O)CC[C@H]2[NH3+])ccc1Br ZINC000085708897 179123107 /nfs/dbraw/zinc/12/31/07/179123107.db2.gz ICTYAQOOMIQBGV-PWSUYJOCSA-N 1 0 283.169 2.036 10 0 CEAERO C[C@]1(CNc2cnc3ccccc3n2)CCC[NH2+]C1 ZINC000129417130 365856380 /nfs/dbraw/zinc/85/63/80/365856380.db2.gz MDTPHJPAICMXJW-HNNXBMFYSA-N 1 0 256.353 2.431 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cnccc1C ZINC000128469755 187371844 /nfs/dbraw/zinc/37/18/44/187371844.db2.gz OUIZAIVZFFOFLC-JKSUJKDBSA-N 1 0 259.397 2.449 10 0 CEAERO [NH3+]Cc1ccccc1NC(=O)c1cc(Br)c[nH]1 ZINC000085810194 179177557 /nfs/dbraw/zinc/17/75/57/179177557.db2.gz KPJBAXYPTXAJSL-UHFFFAOYSA-N 1 0 294.152 2.488 10 0 CEAERO Cn1cc(Cl)cc1C(=O)Nc1ccccc1C[NH3+] ZINC000085810065 179177805 /nfs/dbraw/zinc/17/78/05/179177805.db2.gz GSDNTQPEHBNBFF-UHFFFAOYSA-N 1 0 263.728 2.390 10 0 CEAERO CCC(C)(C)C1CCC(NC(=O)[C@]2([NH3+])CCOC2)CC1 ZINC000085870100 179192854 /nfs/dbraw/zinc/19/28/54/179192854.db2.gz MVTNUXRFHPOZPT-ZUEPYMLJSA-N 1 0 282.428 2.215 10 0 CEAERO [NH3+][C@]1(C(=O)Nc2cccc(Cl)c2Cl)CCOC1 ZINC000085868625 179192940 /nfs/dbraw/zinc/19/29/40/179192940.db2.gz PBYMSIPGEDHOCH-LLVKDONJSA-N 1 0 275.135 2.050 10 0 CEAERO CC(C)[C@@H](NC(=O)[C@]1([NH3+])CCOC1)c1ccc(Cl)cc1 ZINC000085871323 179193148 /nfs/dbraw/zinc/19/31/48/179193148.db2.gz OUUZAXJDTHGVSE-HIFRSBDPSA-N 1 0 296.798 2.271 10 0 CEAERO CCC(CC)[C@H](NC(=O)[C@@]1([NH3+])CCOC1)c1ccccc1 ZINC000085873771 179194247 /nfs/dbraw/zinc/19/42/47/179194247.db2.gz SHJZGLLPTXBROG-DOTOQJQBSA-N 1 0 290.407 2.398 10 0 CEAERO CCCOc1ccc(NC(=O)[C@]2([NH3+])CCOC2)cc1Cl ZINC000085874609 179194376 /nfs/dbraw/zinc/19/43/76/179194376.db2.gz IUGDBKJCQAEETH-AWEZNQCLSA-N 1 0 298.770 2.185 10 0 CEAERO C[C@H](c1cc2ccccc2o1)N(C)C(=O)[C@@]1([NH3+])CCOC1 ZINC000085876431 179195109 /nfs/dbraw/zinc/19/51/09/179195109.db2.gz URTGNGJLMMNUEY-BDJLRTHQSA-N 1 0 288.347 2.070 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1CNC(=O)c1ccc2c(c1)CCC2 ZINC000085965104 179205634 /nfs/dbraw/zinc/20/56/34/179205634.db2.gz GRJTYQSJQMWJKI-HOTGVXAUSA-N 1 0 272.392 2.423 10 0 CEAERO Cc1ccc(S(=O)(=O)NC[C@@H]2CCCC[C@@H]2[NH3+])cc1C ZINC000085971622 179206431 /nfs/dbraw/zinc/20/64/31/179206431.db2.gz WRVZKDHMCMQNMI-ZFWWWQNUSA-N 1 0 296.436 2.099 10 0 CEAERO CCC[NH2+][C@@H](CCO)Cn1c(C)nc2ccccc21 ZINC000085923279 179201230 /nfs/dbraw/zinc/20/12/30/179201230.db2.gz WHQOEHVHRUZLTL-ZDUSSCGKSA-N 1 0 261.369 2.095 10 0 CEAERO CCC[NH2+][C@@H](CCO)C[S@@](=O)c1cc(C)ccc1C ZINC000085926578 179201867 /nfs/dbraw/zinc/20/18/67/179201867.db2.gz GHJSCKFMJOKAFB-LIRRHRJNSA-N 1 0 283.437 2.162 10 0 CEAERO CCC[NH2+][C@H](CCO)C[S@@](=O)c1ccc(C)cc1C ZINC000085926654 179202461 /nfs/dbraw/zinc/20/24/61/179202461.db2.gz GFYZKQBJQSZKSU-KUHUBIRLSA-N 1 0 283.437 2.162 10 0 CEAERO C[C@@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccc(NC(N)=O)cc1 ZINC000085978064 179208808 /nfs/dbraw/zinc/20/88/08/179208808.db2.gz GQRCLVFTILEREO-ZLDLUXBVSA-N 1 0 291.395 2.379 10 0 CEAERO O[C@@H](C[NH2+]C[C@@H]1CCCC[C@@H]1O)c1cc(F)ccc1F ZINC000085985114 179211773 /nfs/dbraw/zinc/21/17/73/179211773.db2.gz QXGGGCMCINMNID-LKTVYLICSA-N 1 0 285.334 2.139 10 0 CEAERO CC1CCC(OC[C@@H](O)C[NH2+]C[C@H]2CCCC[C@@H]2O)CC1 ZINC000085986399 179212374 /nfs/dbraw/zinc/21/23/74/179212374.db2.gz HCIGYHITOKIKNZ-QLOXVCQLSA-N 1 0 299.455 2.083 10 0 CEAERO CCCc1ccc([C@H]([NH3+])[C@H]2CCS(=O)(=O)C2)cc1 ZINC000086019990 179217708 /nfs/dbraw/zinc/21/77/08/179217708.db2.gz QNBXTUVWPJBJGE-KBPBESRZSA-N 1 0 267.394 2.074 10 0 CEAERO Cn1cc([C@@H]2CC[N@H+](Cc3nc4ccccc4[nH]3)C2)cn1 ZINC000128503424 187374004 /nfs/dbraw/zinc/37/40/04/187374004.db2.gz USJOSWSRSCUYOK-GFCCVEGCSA-N 1 0 281.363 2.286 10 0 CEAERO C[C@H]1[C@H](NC(=O)CC[C@@H]2CCC[NH2+]C2)CC[C@@H]1C ZINC000086075437 179225027 /nfs/dbraw/zinc/22/50/27/179225027.db2.gz PVPWYCZNQWJNGJ-RFQIPJPRSA-N 1 0 252.402 2.317 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000086026307 179220069 /nfs/dbraw/zinc/22/00/69/179220069.db2.gz ZFKBUZHHUUCEJM-ZFWWWQNUSA-N 1 0 299.411 2.171 10 0 CEAERO Cc1cc(C)nc(SCc2cccc(NN)[nH+]2)n1 ZINC000086118138 179234587 /nfs/dbraw/zinc/23/45/87/179234587.db2.gz JKOUGLTZOXPFIY-UHFFFAOYSA-N 1 0 261.354 2.066 10 0 CEAERO CC[C@]1(C)CN(CCc2ccccc2F)CC[NH2+]1 ZINC000086124302 179235693 /nfs/dbraw/zinc/23/56/93/179235693.db2.gz VKFJPIZSAFCOTB-OAHLLOKOSA-N 1 0 250.361 2.442 10 0 CEAERO Cc1nc(CN2CC[NH2+][C@](C)(C3CC3)C2)cs1 ZINC000086144242 179237966 /nfs/dbraw/zinc/23/79/66/179237966.db2.gz DFVXVUBRABXYKP-ZDUSSCGKSA-N 1 0 251.399 2.025 10 0 CEAERO CC[C@@H]1CC[C@H](NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)[C@@H]1C ZINC000086094217 179228996 /nfs/dbraw/zinc/22/89/96/179228996.db2.gz ZQZSAEVCJLFUHF-DCQANWLSSA-N 1 0 292.345 2.469 10 0 CEAERO C[C@@H](C(N)=S)[N@H+](C)CCSc1ccccc1 ZINC000086099457 179229417 /nfs/dbraw/zinc/22/94/17/179229417.db2.gz IRHVFWSMDKDKIZ-JTQLQIEISA-N 1 0 254.424 2.385 10 0 CEAERO CC[C@H]1CC[C@@H](NC(=O)[C@@H]([NH3+])Cc2ccccc2)[C@@H]1C ZINC000086094714 179229595 /nfs/dbraw/zinc/22/95/95/179229595.db2.gz OCXSQSGHZWJVAH-SYAUCNOPSA-N 1 0 274.408 2.497 10 0 CEAERO Cc1ncsc1CN1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC000086149034 179239953 /nfs/dbraw/zinc/23/99/53/179239953.db2.gz OLYGYHLMZLSLCZ-GFCCVEGCSA-N 1 0 253.415 2.271 10 0 CEAERO CC(C)n1cc(N2CC[NH2+][C@H](C(C)(C)C)C2)cn1 ZINC000086148279 179239969 /nfs/dbraw/zinc/23/99/69/179239969.db2.gz YNMMMDMLNUFLQU-ZDUSSCGKSA-N 1 0 250.390 2.288 10 0 CEAERO CC[C@@H](C)[C@H]1C[N@H+]([C@@H](C)COC)[C@H](C(C)C)CN1 ZINC000086151861 179240862 /nfs/dbraw/zinc/24/08/62/179240862.db2.gz OOEQSOLEPZJZOA-BARDWOONSA-N 1 0 256.434 2.366 10 0 CEAERO CCn1cc(N2C[C@H](C)[NH2+]C[C@@H]2c2ccccc2)cn1 ZINC000086154281 179241466 /nfs/dbraw/zinc/24/14/66/179241466.db2.gz PLKZCGSWVTVTSK-XJKSGUPXSA-N 1 0 270.380 2.442 10 0 CEAERO CC(C)[C@@H]1CN[C@@H](C(C)C)C[N@@H+]1C1CCOCC1 ZINC000086154456 179241562 /nfs/dbraw/zinc/24/15/62/179241562.db2.gz PUHHMPPOLANDGF-CABCVRRESA-N 1 0 254.418 2.120 10 0 CEAERO Cc1cc(CN2C[C@@H](C(C)C)[NH2+]C[C@@H]2C(C)C)on1 ZINC000086174086 179245249 /nfs/dbraw/zinc/24/52/49/179245249.db2.gz HZOVLSPAISUQES-LSDHHAIUSA-N 1 0 265.401 2.437 10 0 CEAERO Cc1ncsc1CN1C[C@@H](C(C)C)[NH2+]C[C@@H]1C ZINC000086175519 179245673 /nfs/dbraw/zinc/24/56/73/179245673.db2.gz AVKVGYKHFWRNTD-JQWIXIFHSA-N 1 0 253.415 2.270 10 0 CEAERO CC(C)[C@H]1CN(CCc2nccs2)[C@@H](C)C[NH2+]1 ZINC000086175425 179245975 /nfs/dbraw/zinc/24/59/75/179245975.db2.gz HRBGAARETARSFX-NWDGAFQWSA-N 1 0 253.415 2.004 10 0 CEAERO CC[C@H]1CN[C@H](c2ccccc2)C[N@@H+]1[C@@H](C)COC ZINC000086179965 179246613 /nfs/dbraw/zinc/24/66/13/179246613.db2.gz CSTGADLCIBNKKT-BPUTZDHNSA-N 1 0 262.397 2.446 10 0 CEAERO Cc1csc([C@@H](C)N2CC[NH2+]C[C@@H]2C(C)C)n1 ZINC000086177948 179246791 /nfs/dbraw/zinc/24/67/91/179246791.db2.gz CCXACWCJRPQIEZ-VXGBXAGGSA-N 1 0 253.415 2.442 10 0 CEAERO CC[C@@H]1C[NH2+]CCN1[C@@H](C)Cc1ccc(F)cc1 ZINC000086177779 179247212 /nfs/dbraw/zinc/24/72/12/179247212.db2.gz JZDAZCDDDOHMPG-SWLSCSKDSA-N 1 0 250.361 2.441 10 0 CEAERO C[C@@H](Cc1ccc(F)cc1)N1CC[NH2+][C@H](C2CC2)C1 ZINC000086148474 179239546 /nfs/dbraw/zinc/23/95/46/179239546.db2.gz BCMPCAJUNXEDPY-LRDDRELGSA-N 1 0 262.372 2.441 10 0 CEAERO c1ccc2c(c1)C[C@@H](CN1CC[NH2+]C3(CCCC3)C1)O2 ZINC000086146958 179239593 /nfs/dbraw/zinc/23/95/93/179239593.db2.gz JUIMQNWZKYSGRQ-HNNXBMFYSA-N 1 0 272.392 2.208 10 0 CEAERO CC[C@@H]1C[NH2+][C@](C)(CC)CN1c1cnn(CC)c1 ZINC000086218538 179249932 /nfs/dbraw/zinc/24/99/32/179249932.db2.gz LEKOWLQNQLWSDS-TZMCWYRMSA-N 1 0 250.390 2.260 10 0 CEAERO CC(C)[C@H]1C[NH2+][C@@](C)(C2CC2)CN1c1cnn(C)c1 ZINC000086218283 179250070 /nfs/dbraw/zinc/25/00/70/179250070.db2.gz IYFOLNZFDPULIT-HUUCEWRRSA-N 1 0 262.401 2.023 10 0 CEAERO CC(C)[C@H]1CN[C@@H](C2CC2)C[N@@H+]1[C@@H](C)[C@@H]1CCCO1 ZINC000086218185 179250134 /nfs/dbraw/zinc/25/01/34/179250134.db2.gz UTPKQICPWUYOPE-XZDPQHSOSA-N 1 0 266.429 2.262 10 0 CEAERO C[C@@H]1CN[C@H](c2ccccc2)C[N@@H+]1C1CCOCC1 ZINC000086218754 179250628 /nfs/dbraw/zinc/25/06/28/179250628.db2.gz LDHVEUUIOKTGSN-CJNGLKHVSA-N 1 0 260.381 2.200 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C2CC2)CN1Cc1cnc(C)s1 ZINC000086226745 179252840 /nfs/dbraw/zinc/25/28/40/179252840.db2.gz ONWSBDLJQSNQIE-GXTWGEPZSA-N 1 0 265.426 2.414 10 0 CEAERO [NH3+][C@H]1CCO[C@@H]1c1ccc(Br)cc1F ZINC000086249690 179255373 /nfs/dbraw/zinc/25/53/73/179255373.db2.gz FFQFHUHYJUCLRD-VHSXEESVSA-N 1 0 260.106 2.377 10 0 CEAERO CC[C@H]1CN[C@](C)(C2CC2)C[N@@H+]1CCCCOC ZINC000086259404 179257965 /nfs/dbraw/zinc/25/79/65/179257965.db2.gz ZMYRMBGIMPUZMM-GJZGRUSLSA-N 1 0 254.418 2.266 10 0 CEAERO Cc1noc(CN2C[C@H](CC(C)C)[NH2+]C[C@@H]2C(C)C)n1 ZINC000086260337 179259003 /nfs/dbraw/zinc/25/90/03/179259003.db2.gz SXUYEXMDYULCHF-UONOGXRCSA-N 1 0 280.416 2.223 10 0 CEAERO CC[C@H]1CN[C@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCCOC1 ZINC000086260080 179259148 /nfs/dbraw/zinc/25/91/48/179259148.db2.gz GQHDPSWRQAVURN-BPUTZDHNSA-N 1 0 266.429 2.266 10 0 CEAERO CC[C@H]1CN[C@](C)(CC)C[N@@H+]1C[C@@H]1CCCOC1 ZINC000086260122 179259263 /nfs/dbraw/zinc/25/92/63/179259263.db2.gz CRODZUOMMZYCDQ-SOUVJXGZSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1cc(C)on1 ZINC000086259779 179259568 /nfs/dbraw/zinc/25/95/68/179259568.db2.gz XYNHLVIWVLNYER-HUUCEWRRSA-N 1 0 263.385 2.336 10 0 CEAERO CC[C@H]1CN[C@@H](CC(C)C)C[N@@H+]1C[C@@H](C)COC ZINC000086261020 179260013 /nfs/dbraw/zinc/26/00/13/179260013.db2.gz CHGHROALERJVLC-ILXRZTDVSA-N 1 0 256.434 2.367 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1Cc1cnc(C)cn1 ZINC000086263068 179260414 /nfs/dbraw/zinc/26/04/14/179260414.db2.gz WFECDDSVWQMSBU-LSDHHAIUSA-N 1 0 276.428 2.384 10 0 CEAERO COc1cc(CN2CC(C)(C)[NH2+]C[C@H]2C(C)C)ccn1 ZINC000086263835 179260901 /nfs/dbraw/zinc/26/09/01/179260901.db2.gz XJWPSKISKUVXIR-AWEZNQCLSA-N 1 0 277.412 2.299 10 0 CEAERO Cc1csc(CCN2C[C@@H](C3CC3)[NH2+]C[C@@H]2C)n1 ZINC000086264250 179260926 /nfs/dbraw/zinc/26/09/26/179260926.db2.gz UNAYGMUSVOINCM-AAEUAGOBSA-N 1 0 265.426 2.066 10 0 CEAERO Cc1ncsc1CN1C[C@@H](C2CC2)[NH2+]C[C@@H]1C ZINC000086264664 179260948 /nfs/dbraw/zinc/26/09/48/179260948.db2.gz OQBRMMLSRMUFRC-CABZTGNLSA-N 1 0 251.399 2.024 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C(C)(C)C)CN1Cc1nccn1C ZINC000086264808 179261005 /nfs/dbraw/zinc/26/10/05/179261005.db2.gz FCGGCWFHDATGLK-STQMWFEESA-N 1 0 264.417 2.019 10 0 CEAERO COc1cc(CN2C[C@H](CC(C)C)[NH2+]C[C@@H]2C)ccn1 ZINC000086263852 179261138 /nfs/dbraw/zinc/26/11/38/179261138.db2.gz OYFIYAUCUVWANY-ZFWWWQNUSA-N 1 0 277.412 2.299 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1CCc1nccs1 ZINC000086264349 179261408 /nfs/dbraw/zinc/26/14/08/179261408.db2.gz HNFAYDHYWMNJID-VXGBXAGGSA-N 1 0 267.442 2.394 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C2CC2)CN1Cc1scnc1C ZINC000086264631 179261410 /nfs/dbraw/zinc/26/14/10/179261410.db2.gz RIRUMNNUSGQVIZ-CHWSQXEVSA-N 1 0 265.426 2.414 10 0 CEAERO CCC[C@H](COC)[N@@H+]1CC2(CCCC2)NC[C@@H]1C ZINC000086267578 179261681 /nfs/dbraw/zinc/26/16/81/179261681.db2.gz QOJZNTIOEKRROK-UONOGXRCSA-N 1 0 254.418 2.408 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C2CC2)CN1CCc1cscn1 ZINC000086265568 179261863 /nfs/dbraw/zinc/26/18/63/179261863.db2.gz PLUAAPWPFIDZQM-KBPBESRZSA-N 1 0 265.426 2.148 10 0 CEAERO C[C@H]1C[NH2+][C@H](C(C)(C)C)CN1CCc1cscn1 ZINC000086265600 179261867 /nfs/dbraw/zinc/26/18/67/179261867.db2.gz VGENBVSHKUIGPB-AAEUAGOBSA-N 1 0 267.442 2.394 10 0 CEAERO CC[C@@H](COC)[N@@H+]1CC2(CCCC2)NC[C@@H]1CC ZINC000086267492 179261872 /nfs/dbraw/zinc/26/18/72/179261872.db2.gz CEGGLSGYXKDSIQ-KBPBESRZSA-N 1 0 254.418 2.408 10 0 CEAERO CC[C@@H]1CN[C@](C)(C2CC2)C[N@@H+]1[C@@H](C)CCOC ZINC000086268067 179262547 /nfs/dbraw/zinc/26/25/47/179262547.db2.gz OUDFZEIVKIMHNZ-CFVMTHIKSA-N 1 0 254.418 2.264 10 0 CEAERO C[C@@]1(C2CC2)CN(Cc2nccs2)CCC[NH2+]1 ZINC000086289980 179264669 /nfs/dbraw/zinc/26/46/69/179264669.db2.gz BHLLGPGINBIEHS-ZDUSSCGKSA-N 1 0 251.399 2.107 10 0 CEAERO CC[C@H]1CN[C@@H](C2CC2)C[N@@H+]1CC[C@@H]1CCCO1 ZINC000086258841 179257096 /nfs/dbraw/zinc/25/70/96/179257096.db2.gz IVMCWBGVQGNIPB-SOUVJXGZSA-N 1 0 252.402 2.018 10 0 CEAERO CC(C)[C@H]1CN[C@@H](C2CC2)C[N@@H+]1CC[C@@H]1CCCO1 ZINC000086258815 179257300 /nfs/dbraw/zinc/25/73/00/179257300.db2.gz IUCUOGTZAILJBH-ARFHVFGLSA-N 1 0 266.429 2.264 10 0 CEAERO CC[C@@H](C)[C@H]1C[N@H+](C[C@@H]2CCCOC2)CCCN1 ZINC000086292446 179266205 /nfs/dbraw/zinc/26/62/05/179266205.db2.gz VDNJSNHYBWMUKA-QLFBSQMISA-N 1 0 254.418 2.123 10 0 CEAERO COc1cc(CN2CCC[NH2+][C@](C)(C3CC3)C2)ccn1 ZINC000086296357 179268375 /nfs/dbraw/zinc/26/83/75/179268375.db2.gz BIANMSPNAJYKKV-INIZCTEOSA-N 1 0 275.396 2.054 10 0 CEAERO [NH3+]CC1([C@@H](O)c2cc(Cl)cs2)CCOCC1 ZINC000086334990 179273613 /nfs/dbraw/zinc/27/36/13/179273613.db2.gz WGRAZPUDJXTZCG-JTQLQIEISA-N 1 0 261.774 2.190 10 0 CEAERO CC[C@@H]1CN(C(=O)c2ccoc2C)[C@H](CC)C[NH2+]1 ZINC000086446768 179296001 /nfs/dbraw/zinc/29/60/01/179296001.db2.gz HXMMQQKCWJDLDW-VXGBXAGGSA-N 1 0 250.342 2.191 10 0 CEAERO C[NH2+][C@H]1CCCc2sc(N3CCN(C4CC4)CC3)nc21 ZINC000086443920 179293812 /nfs/dbraw/zinc/29/38/12/179293812.db2.gz PFWUCQKIHYNLPC-LBPRGKRZSA-N 1 0 292.452 2.024 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)c1ccc(F)cc1 ZINC000086446413 179294666 /nfs/dbraw/zinc/29/46/66/179294666.db2.gz PJMRTAHKBAKTFE-UONOGXRCSA-N 1 0 264.344 2.428 10 0 CEAERO [NH3+][C@H]1CCC(=O)N(C[C@@H]2CCCc3ccccc32)C1 ZINC000086444899 179295019 /nfs/dbraw/zinc/29/50/19/179295019.db2.gz OYTXQCRHLQPSKB-KBPBESRZSA-N 1 0 258.365 2.056 10 0 CEAERO C[NH+](C)C1CCN(c2nc3c(s2)CCCC3=O)CC1 ZINC000086441404 179292890 /nfs/dbraw/zinc/29/28/90/179292890.db2.gz HOPFSFXSUUJJKW-UHFFFAOYSA-N 1 0 279.409 2.193 10 0 CEAERO CSCC[C@@H](C[NH3+])N(C)CCc1cccs1 ZINC000086440827 179292970 /nfs/dbraw/zinc/29/29/70/179292970.db2.gz MPUGHQIOWFLYJJ-NSHDSACASA-N 1 0 258.456 2.303 10 0 CEAERO Cc1nn(C)c(C)c1-c1nc2c(s1)CCC[C@H]2[NH3+] ZINC000086440352 179293019 /nfs/dbraw/zinc/29/30/19/179293019.db2.gz NHIIIHMQXVLCBV-SECBINFHSA-N 1 0 262.382 2.497 10 0 CEAERO Cn1ccnc1C[C@H]([NH3+])c1ccc(Br)cc1 ZINC000086486108 179301783 /nfs/dbraw/zinc/30/17/83/179301783.db2.gz WLTBQUNZMMAJSF-NSHDSACASA-N 1 0 280.169 2.425 10 0 CEAERO c1ccc2c(c1)C[C@@H]2c1nccc(C[NH2+]C2CC2)n1 ZINC000086490712 179302269 /nfs/dbraw/zinc/30/22/69/179302269.db2.gz NERXHFLAZRXLOS-HNNXBMFYSA-N 1 0 251.333 2.417 10 0 CEAERO COC(OC)[C@H]([NH3+])Cc1c(Cl)cccc1Cl ZINC000086451991 179296561 /nfs/dbraw/zinc/29/65/61/179296561.db2.gz RRRVFTIQIHTFEY-SNVBAGLBSA-N 1 0 264.152 2.482 10 0 CEAERO COc1ccc([C@H](C)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1OC ZINC000086467005 179297172 /nfs/dbraw/zinc/29/71/72/179297172.db2.gz KAWRJZUADIRMNX-AGIUHOORSA-N 1 0 278.396 2.447 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000086468371 179299732 /nfs/dbraw/zinc/29/97/32/179299732.db2.gz MYMQQYLAMOWXRI-JCWGXCKPSA-N 1 0 291.439 2.347 10 0 CEAERO CCS(=O)(=O)CC[C@@H]([NH3+])Cc1ccccc1Cl ZINC000086568051 179308014 /nfs/dbraw/zinc/30/80/14/179308014.db2.gz OPKIOPGVIREANA-LLVKDONJSA-N 1 0 275.801 2.035 10 0 CEAERO CCOC(=O)C[C@@H]([NH3+])c1ccc(OC)c(Cl)c1 ZINC000086583497 179309022 /nfs/dbraw/zinc/30/90/22/179309022.db2.gz YJHVPVWTRSAGTC-SNVBAGLBSA-N 1 0 257.717 2.302 10 0 CEAERO COCCN1CCC[C@@H]([NH3+])[C@@H]1c1ccc(OC)c(Cl)c1 ZINC000086585190 179309871 /nfs/dbraw/zinc/30/98/71/179309871.db2.gz XBOJJGQPLRCGNM-HIFRSBDPSA-N 1 0 298.814 2.459 10 0 CEAERO O=C(N[C@@H]1CCc2ccccc21)N[C@H]1CCCC[NH2+]C1 ZINC000333902376 539582088 /nfs/dbraw/zinc/58/20/88/539582088.db2.gz IYUMCXCFNZFJES-DZGCQCFKSA-N 1 0 273.380 2.115 10 0 CEAERO CCC(CC)(CC)n1nnnc1C[NH2+]CC(C)C ZINC000086643603 179315676 /nfs/dbraw/zinc/31/56/76/179315676.db2.gz AGAKKFFUZGBVON-UHFFFAOYSA-N 1 0 253.394 2.344 10 0 CEAERO C[N@H+](CCNc1nc(Cl)ncc1Cl)C1CC1 ZINC000086622137 179311465 /nfs/dbraw/zinc/31/14/65/179311465.db2.gz UVQPOLCQBMEMGJ-UHFFFAOYSA-N 1 0 261.156 2.290 10 0 CEAERO COC[C@H]([NH2+][C@@H](C)c1c(C)nn(C)c1C)C(C)C ZINC000086695241 179320551 /nfs/dbraw/zinc/32/05/51/179320551.db2.gz ULXLYOUZWLPOKP-GWCFXTLKSA-N 1 0 253.390 2.359 10 0 CEAERO CCN(Cc1cc(F)cc(Br)c1)C1C[NH2+]C1 ZINC000086695360 179320574 /nfs/dbraw/zinc/32/05/74/179320574.db2.gz MTRCGSSOAMKIIM-UHFFFAOYSA-N 1 0 287.176 2.382 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1S(C)(=O)=O)c1ccc(F)cc1 ZINC000086670912 179317534 /nfs/dbraw/zinc/31/75/34/179317534.db2.gz MQYDORZNCBTQMT-HONMWMINSA-N 1 0 285.384 2.442 10 0 CEAERO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1S(C)(=O)=O)c1ccccc1 ZINC000086671484 179317705 /nfs/dbraw/zinc/31/77/05/179317705.db2.gz ORTOETBKKOKKQL-YUELXQCFSA-N 1 0 281.421 2.345 10 0 CEAERO C[C@H]([NH2+][C@H]1CCC[C@@H]1S(C)(=O)=O)c1ccccc1F ZINC000086674845 179318235 /nfs/dbraw/zinc/31/82/35/179318235.db2.gz UOXJFAZTZSCORH-BPNCWPANSA-N 1 0 285.384 2.442 10 0 CEAERO C[C@@H]([NH2+][C@H]1CCC[C@@H]1S(C)(=O)=O)c1ccccc1F ZINC000086674846 179318916 /nfs/dbraw/zinc/31/89/16/179318916.db2.gz UOXJFAZTZSCORH-SWHYSGLUSA-N 1 0 285.384 2.442 10 0 CEAERO CS(=O)(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000086676159 179319244 /nfs/dbraw/zinc/31/92/44/179319244.db2.gz GYKFYBBJFOZAPP-NXEZZACHSA-N 1 0 293.841 2.457 10 0 CEAERO CCN(C)C(=O)CC[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000130361962 365948122 /nfs/dbraw/zinc/94/81/22/365948122.db2.gz JQSVVSJRCDQGLM-CQSZACIVSA-N 1 0 292.427 2.042 10 0 CEAERO C[C@H]1CCC[C@](C[NH3+])(OCC(=O)N2CCCCCC2)C1 ZINC000086712459 179322597 /nfs/dbraw/zinc/32/25/97/179322597.db2.gz ZVXOFRPREMJPNU-HOCLYGCPSA-N 1 0 282.428 2.313 10 0 CEAERO Cc1nccn1CCO[C@@]1(C[NH3+])CCC[C@H](C)C1 ZINC000086713100 179322604 /nfs/dbraw/zinc/32/26/04/179322604.db2.gz NROKQHFCSLZLRY-JSGCOSHPSA-N 1 0 251.374 2.116 10 0 CEAERO CC1(C)CCC(C[NH3+])(OC[C@H](O)C(F)(F)F)CC1 ZINC000086712205 179322886 /nfs/dbraw/zinc/32/28/86/179322886.db2.gz NKVRKDCVWKMAAW-VIFPVBQESA-N 1 0 269.307 2.224 10 0 CEAERO CNC(=O)CCCOC1(C[NH3+])CCC(C(C)C)CC1 ZINC000086713564 179322897 /nfs/dbraw/zinc/32/28/97/179322897.db2.gz BJKPFXHUHKTIHV-UHFFFAOYSA-N 1 0 270.417 2.073 10 0 CEAERO CCC1CCC(C[NH3+])(OC[C@@H](O)COC(C)C)CC1 ZINC000086713221 179322933 /nfs/dbraw/zinc/32/29/33/179322933.db2.gz CCBCWJNDXJEOHM-SLTAFYQDSA-N 1 0 273.417 2.087 10 0 CEAERO C[N@@H+]1CCC[C@H](Nc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000086818797 179347359 /nfs/dbraw/zinc/34/73/59/179347359.db2.gz CHRNBPPOIJFNLP-LBPRGKRZSA-N 1 0 289.358 2.303 10 0 CEAERO CCC[C@]1(C(=O)[O-])CC[N@@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC000086834584 179349290 /nfs/dbraw/zinc/34/92/90/179349290.db2.gz DIIOZKUHHMBOKH-HIFRSBDPSA-N 1 0 268.401 2.048 10 0 CEAERO C[N@@H+]1CCC[C@](CO)(Nc2ccccc2F)CC1 ZINC000086834332 179349447 /nfs/dbraw/zinc/34/94/47/179349447.db2.gz CKVXBBOWOSAKCH-AWEZNQCLSA-N 1 0 252.333 2.084 10 0 CEAERO COC(=O)c1cccc(N[C@H]2CCC[N@H+](C)CC2)c1 ZINC000086817481 179344499 /nfs/dbraw/zinc/34/44/99/179344499.db2.gz ITGLHJZZGQDWBK-ZDUSSCGKSA-N 1 0 262.353 2.369 10 0 CEAERO CCNC(=O)c1cccc(N[C@@H]2CCC[N@H+](C)CC2)c1 ZINC000086817673 179345775 /nfs/dbraw/zinc/34/57/75/179345775.db2.gz CCDQUXKLVQPINL-CQSZACIVSA-N 1 0 275.396 2.333 10 0 CEAERO C[C@H]1Oc2ccc(N[C@@H]3CCC[N@H+](C)CC3)cc2NC1=O ZINC000086817785 179345813 /nfs/dbraw/zinc/34/58/13/179345813.db2.gz BIUIZOKBEMPQIJ-VXGBXAGGSA-N 1 0 289.379 2.302 10 0 CEAERO C[C@@H](N[C@H]1CCC[N@H+](C)CC1)c1nnc2n1CCCCC2 ZINC000086818508 179346541 /nfs/dbraw/zinc/34/65/41/179346541.db2.gz YWHKQSWXEAEHRO-KGLIPLIRSA-N 1 0 291.443 2.139 10 0 CEAERO C[N@@H+]1CCC[C@H](Nc2cccc(NC(N)=O)c2)CC1 ZINC000086818469 179346755 /nfs/dbraw/zinc/34/67/55/179346755.db2.gz WNWURBNVCVSJQR-NSHDSACASA-N 1 0 262.357 2.073 10 0 CEAERO CCCCC[NH2+]C[C@H](C)Sc1nnc(C)n1C ZINC000104009743 185881835 /nfs/dbraw/zinc/88/18/35/185881835.db2.gz SWMXPFLEOWVPFD-JTQLQIEISA-N 1 0 256.419 2.384 10 0 CEAERO CCC[N@@H+]1CCC[C@@H](N[C@H](C(=O)OC)C(C)C)CC1 ZINC000086837394 179350920 /nfs/dbraw/zinc/35/09/20/179350920.db2.gz QIWGMZUJFXNAIE-KGLIPLIRSA-N 1 0 270.417 2.038 10 0 CEAERO CC(C)[N@@H+]1CCC[C@H](NCc2cccc(C(N)=O)c2)CC1 ZINC000086837636 179351621 /nfs/dbraw/zinc/35/16/21/179351621.db2.gz IPKIAXMRVNLWIY-INIZCTEOSA-N 1 0 289.423 2.138 10 0 CEAERO CC(C)[N@@H+]1CCC[C@@H](N[C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000086841701 179353075 /nfs/dbraw/zinc/35/30/75/179353075.db2.gz SEFCLLNDEKZURE-JKSUJKDBSA-N 1 0 295.471 2.240 10 0 CEAERO CCC[N@@H+]1CCC[C@H](NCc2cccnc2OC)CC1 ZINC000086840796 179353481 /nfs/dbraw/zinc/35/34/81/179353481.db2.gz PWJLHZSKTXAQKL-HNNXBMFYSA-N 1 0 277.412 2.444 10 0 CEAERO CCC[N@@H+]1CCC[C@](N)(c2noc(C(F)(F)F)n2)CC1 ZINC000086851788 179360000 /nfs/dbraw/zinc/36/00/00/179360000.db2.gz YARXDLNUKAJXPV-LLVKDONJSA-N 1 0 292.305 2.138 10 0 CEAERO CCC[N@@H+]1CCC[C@](CO)(NCc2ccccc2)CC1 ZINC000086867906 179360069 /nfs/dbraw/zinc/36/00/69/179360069.db2.gz FEBJQVFVHSXMDC-KRWDZBQOSA-N 1 0 276.424 2.403 10 0 CEAERO CC(C)[N@@H+]1CCC[C@](C(=O)[O-])([NH+]2CCCCC2)CC1 ZINC000086867813 179360096 /nfs/dbraw/zinc/36/00/96/179360096.db2.gz AVNLFTIRUPFIPN-HNNXBMFYSA-N 1 0 268.401 2.190 10 0 CEAERO CCC[C@@H]([NH2+][C@@H]1CCC[N@H+](CCC)CC1)C(=O)[O-] ZINC000086868671 179361727 /nfs/dbraw/zinc/36/17/27/179361727.db2.gz PXJJWANKMOMXFV-CHWSQXEVSA-N 1 0 256.390 2.094 10 0 CEAERO CCC[N@@H+]1CCC[C@H]([NH+]2CCC(C)(C(=O)[O-])CC2)CC1 ZINC000086869067 179361895 /nfs/dbraw/zinc/36/18/95/179361895.db2.gz LYEGNWFJPPCKCL-AWEZNQCLSA-N 1 0 282.428 2.438 10 0 CEAERO CCC[C@]1(C(=O)[O-])CC[N@@H+]([C@@H]2CCC[NH+](CC)CC2)C1 ZINC000086869118 179362196 /nfs/dbraw/zinc/36/21/96/179362196.db2.gz GKZZOWKKPJAEOE-ZBFHGGJFSA-N 1 0 282.428 2.438 10 0 CEAERO C[NH2+][C@H]1CCCC[C@H]1c1nc(CC(F)(F)F)no1 ZINC000104067251 185890787 /nfs/dbraw/zinc/89/07/87/185890787.db2.gz NCCCQUDMFSBHFV-SFYZADRCSA-N 1 0 263.263 2.420 10 0 CEAERO CC(C)[N@@H+]1CCC[C@H]([NH+]2CCCC[C@@H]2C(=O)[O-])CC1 ZINC000086868606 179362770 /nfs/dbraw/zinc/36/27/70/179362770.db2.gz BJSRDSXJFUFXSQ-UONOGXRCSA-N 1 0 268.401 2.188 10 0 CEAERO CCCOCc1noc([C@@H](C(C)C)[C@@H](C)[NH2+]C)n1 ZINC000104066044 185891511 /nfs/dbraw/zinc/89/15/11/185891511.db2.gz NKTMTPNPYXXQKW-PWSUYJOCSA-N 1 0 255.362 2.344 10 0 CEAERO CCC[N@@H+]1CCC[C@](O)(Cc2cnn(CC)c2)CC1 ZINC000086852782 179359394 /nfs/dbraw/zinc/35/93/94/179359394.db2.gz ZBKQOYKNWXREPW-OAHLLOKOSA-N 1 0 265.401 2.073 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH3+])c1ccc(F)c(C)c1 ZINC000086978964 179372455 /nfs/dbraw/zinc/37/24/55/179372455.db2.gz RHRJLLSXMVPJQQ-ZDUSSCGKSA-N 1 0 273.373 2.349 10 0 CEAERO C[NH2+][C@@H](CC1CCOCC1)[C@H]1CSCCS1 ZINC000086984893 179373986 /nfs/dbraw/zinc/37/39/86/179373986.db2.gz XEHKSQDRBQNQQS-NWDGAFQWSA-N 1 0 261.456 2.240 10 0 CEAERO CCS(=O)(=O)CCC[C@H](C[NH3+])Cc1ccc(F)cc1 ZINC000086980669 179372980 /nfs/dbraw/zinc/37/29/80/179372980.db2.gz VITLWCZMTUHCND-ZDUSSCGKSA-N 1 0 287.400 2.158 10 0 CEAERO CCS(=O)(=O)CCC[C@H](C[NH3+])Cc1cccc(F)c1 ZINC000086980691 179372989 /nfs/dbraw/zinc/37/29/89/179372989.db2.gz XUHADJBAMKVILP-ZDUSSCGKSA-N 1 0 287.400 2.158 10 0 CEAERO CCC[NH2+][C@H](CCCS(=O)(=O)CC)C1CCC1 ZINC000086979852 179373464 /nfs/dbraw/zinc/37/34/64/179373464.db2.gz ABOONZBXLPSVOG-CYBMUJFWSA-N 1 0 261.431 2.370 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH2+]C)[C@@H]1Cc2ccccc21 ZINC000086979864 179373479 /nfs/dbraw/zinc/37/34/79/179373479.db2.gz RYRWZDJFJKVKKL-HUUCEWRRSA-N 1 0 281.421 2.129 10 0 CEAERO CCn1nc(C)c(Br)c1/C=C1\CC[NH2+]C1 ZINC000086882419 179365315 /nfs/dbraw/zinc/36/53/15/179365315.db2.gz ZIJNEGVAGCVHNV-RMKNXTFCSA-N 1 0 270.174 2.351 10 0 CEAERO CCN([C@H](C[NH3+])c1ccc(OC)c(F)c1)C1CC1 ZINC000086983506 179373619 /nfs/dbraw/zinc/37/36/19/179373619.db2.gz XFVUCYPJRPJRGJ-CYBMUJFWSA-N 1 0 252.333 2.318 10 0 CEAERO C[C@@H]1CCC[C@](C[NH3+])(N2CCOCC2(C)C)CC1 ZINC000086890939 179366450 /nfs/dbraw/zinc/36/64/50/179366450.db2.gz ULCVQTRGYLPKQK-HIFRSBDPSA-N 1 0 254.418 2.395 10 0 CEAERO CC[C@@H]1CCC[C@@]([NH2+]CCN(CC)CC)(C(N)=O)CC1 ZINC000086914593 179367378 /nfs/dbraw/zinc/36/73/78/179367378.db2.gz TXTJNPIUQQHODY-ZBFHGGJFSA-N 1 0 283.460 2.132 10 0 CEAERO C[C@@H]1SCCC[C@H]1[NH2+]CCOCC(F)(F)F ZINC000086945014 179367777 /nfs/dbraw/zinc/36/77/77/179367777.db2.gz JVJWMCHDNCPYPN-DTWKUNHWSA-N 1 0 257.321 2.439 10 0 CEAERO COCCCc1noc([C@@]2([NH3+])CCC[C@H](C)C2)n1 ZINC000086963189 179369677 /nfs/dbraw/zinc/36/96/77/179369677.db2.gz XXNUHSKEXTYEHX-GXFFZTMASA-N 1 0 253.346 2.013 10 0 CEAERO CCC[NH2+][C@H](C)[C@H](C)c1nc(CCCOC)no1 ZINC000086971906 179370862 /nfs/dbraw/zinc/37/08/62/179370862.db2.gz MREGESAWAODQJD-WDEREUQCSA-N 1 0 255.362 2.140 10 0 CEAERO CC[NH2+][C@H](C)[C@H](c1nc(CCCOC)no1)C(C)C ZINC000086972017 179370954 /nfs/dbraw/zinc/37/09/54/179370954.db2.gz QNZULIPSQKXLNK-DGCLKSJQSA-N 1 0 269.389 2.386 10 0 CEAERO CCS(=O)(=O)CCCOc1cc(C)ccc1[C@H](C)[NH3+] ZINC000086973106 179371479 /nfs/dbraw/zinc/37/14/79/179371479.db2.gz VINWEJUOXAJGDD-LBPRGKRZSA-N 1 0 285.409 2.218 10 0 CEAERO CCS(=O)(=O)CCC[C@H]1CCCCC[C@@H]1[NH2+]C ZINC000086976395 179372189 /nfs/dbraw/zinc/37/21/89/179372189.db2.gz WBRYFGCPVMGAGK-OLZOCXBDSA-N 1 0 261.431 2.370 10 0 CEAERO CC[C@](C)(O)C[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000087011779 179379003 /nfs/dbraw/zinc/37/90/03/179379003.db2.gz FYJHDMIORWXGCK-HOTGVXAUSA-N 1 0 262.397 2.012 10 0 CEAERO Cc1cc([C@H](O)CC[NH3+])sc1Br ZINC000087018761 179381326 /nfs/dbraw/zinc/38/13/26/179381326.db2.gz RDBHTVQLAMELIC-ZCFIWIBFSA-N 1 0 250.161 2.201 10 0 CEAERO CC(C)c1ccc([C@@H](O)C[NH2+]CC(C)(C)O)cc1 ZINC000087027663 179381661 /nfs/dbraw/zinc/38/16/61/179381661.db2.gz LXLHEYMMFGHXJB-AWEZNQCLSA-N 1 0 251.370 2.204 10 0 CEAERO COc1ccc([C@H](C[NH3+])N(C)C[C@@H]2C[C@@H]2C)cc1F ZINC000086992338 179375209 /nfs/dbraw/zinc/37/52/09/179375209.db2.gz WETKOGBGMUNNEP-JKOKRWQUSA-N 1 0 266.360 2.422 10 0 CEAERO COc1ccc([C@H](C[NH3+])N(C)C[C@@H]2CCCOC2)cc1F ZINC000086992315 179375281 /nfs/dbraw/zinc/37/52/81/179375281.db2.gz DNWJCAIRELPVKU-WFASDCNBSA-N 1 0 296.386 2.193 10 0 CEAERO COc1ccc([C@@H]2[C@H]([NH3+])CCC(=O)N2C(C)C)cc1F ZINC000086995171 179375866 /nfs/dbraw/zinc/37/58/66/179375866.db2.gz MKJPMHPZEUPUMN-IUODEOHRSA-N 1 0 280.343 2.234 10 0 CEAERO CCC(O)(CC)C[NH2+]C[C@H](O)COC1CCC(C)CC1 ZINC000087028477 179381937 /nfs/dbraw/zinc/38/19/37/179381937.db2.gz CDWYMYMHYSPWKD-SLTAFYQDSA-N 1 0 287.444 2.083 10 0 CEAERO CCN(C(=O)c1c(F)cc(F)cc1F)[C@@H]1CCC[NH2+]C1 ZINC000086996261 179376749 /nfs/dbraw/zinc/37/67/49/179376749.db2.gz HBOXTYVHAUGRMP-SNVBAGLBSA-N 1 0 286.297 2.318 10 0 CEAERO C[C@H]([NH2+]CC1(O)CCC(C)(C)CC1)c1cnccn1 ZINC000087046545 179387857 /nfs/dbraw/zinc/38/78/57/179387857.db2.gz OKWXFZAZSDCQLV-LBPRGKRZSA-N 1 0 263.385 2.459 10 0 CEAERO C[C@H]([NH2+]CC1(O)CCC(C)(C)CC1)c1cc[nH]n1 ZINC000087046474 179388311 /nfs/dbraw/zinc/38/83/11/179388311.db2.gz WURJEVTXDBNIHU-NSHDSACASA-N 1 0 251.374 2.392 10 0 CEAERO Brc1ccc2oc([C@@H]3C[NH2+]CCO3)nc2c1 ZINC000087049356 179388726 /nfs/dbraw/zinc/38/87/26/179388726.db2.gz URKBSOSEDYYBEK-JTQLQIEISA-N 1 0 283.125 2.251 10 0 CEAERO CC[C@H](C[NH3+])C(=O)Nc1cc(Br)ccc1O ZINC000087049225 179388859 /nfs/dbraw/zinc/38/88/59/179388859.db2.gz VLSCDIPDDLSDOB-SSDOTTSWSA-N 1 0 287.157 2.078 10 0 CEAERO O=C(C[NH2+]CC1(O)CCCCC1)Nc1ccccc1F ZINC000087029167 179382331 /nfs/dbraw/zinc/38/23/31/179382331.db2.gz FYQIGTIRDKQUBX-UHFFFAOYSA-N 1 0 280.343 2.049 10 0 CEAERO CCC[NH2+][C@H](COC)Cc1nc(CSCCC)no1 ZINC000087108347 179395569 /nfs/dbraw/zinc/39/55/69/179395569.db2.gz OIZQLBFJBLARAM-NSHDSACASA-N 1 0 287.429 2.270 10 0 CEAERO CC(C)CNC(=O)[C@@H](C)[NH2+]CC1(O)CCC(C)(C)CC1 ZINC000087063492 179390065 /nfs/dbraw/zinc/39/00/65/179390065.db2.gz VZBPKFIUVWTZFV-CYBMUJFWSA-N 1 0 284.444 2.068 10 0 CEAERO CCOC(=O)C[C@H](C)[NH2+]CC1(O)CCC(C)(C)CC1 ZINC000087064006 179390445 /nfs/dbraw/zinc/39/04/45/179390445.db2.gz JUTMEUISLYJDEK-LBPRGKRZSA-N 1 0 271.401 2.249 10 0 CEAERO CC1(C)CCC(O)(CNC(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000087068714 179391386 /nfs/dbraw/zinc/39/13/86/179391386.db2.gz RCTRPYASRWJZCR-UHFFFAOYSA-N 1 0 290.407 2.206 10 0 CEAERO CC1(C)CCC(O)(CNC(=[NH2+])NC2CCCC2)CC1 ZINC000087076049 179392627 /nfs/dbraw/zinc/39/26/27/179392627.db2.gz KIHCGSMPMQQCNR-UHFFFAOYSA-N 1 0 267.417 2.374 10 0 CEAERO CC(C)[NH2+][C@H]1CCCN(CC2(O)CCCCCC2)C1=O ZINC000087089783 179393471 /nfs/dbraw/zinc/39/34/71/179393471.db2.gz CCWPRIBGRZRLJG-AWEZNQCLSA-N 1 0 282.428 2.061 10 0 CEAERO CC[C@@H]1C[NH2+]C[C@H](c2ccc3c(c2)OCCCO3)O1 ZINC000087090222 179394205 /nfs/dbraw/zinc/39/42/05/179394205.db2.gz ASSNDCNXAOXTCG-IUODEOHRSA-N 1 0 263.337 2.287 10 0 CEAERO C[C@H](O)[C@H](C)Oc1ccc(C[NH3+])cc1Br ZINC000087125610 179396485 /nfs/dbraw/zinc/39/64/85/179396485.db2.gz ZNYLAVGRJYZREA-YUMQZZPRSA-N 1 0 274.158 2.056 10 0 CEAERO C[C@H](O)[C@H](C)Oc1ccc(Br)cc1C[NH3+] ZINC000087125348 179396512 /nfs/dbraw/zinc/39/65/12/179396512.db2.gz CEUGAWHHDFALBX-YUMQZZPRSA-N 1 0 274.158 2.056 10 0 CEAERO C[C@](O)(Cc1cccc(F)c1F)[C@@H]1CCC[NH2+]C1 ZINC000087172637 179399348 /nfs/dbraw/zinc/39/93/48/179399348.db2.gz VSHWHAUOEKCRLR-RISCZKNCSA-N 1 0 255.308 2.258 10 0 CEAERO C[NH2+][C@H](C)c1ccccc1NC(=O)C[C@H]1CCCO1 ZINC000087209626 179401876 /nfs/dbraw/zinc/40/18/76/179401876.db2.gz RDUXZFAGEBJMQX-VXGBXAGGSA-N 1 0 262.353 2.475 10 0 CEAERO CC[NH2+][C@H](C[C@@H]1CCCO1)c1ccc2c(c1)CC(=O)N2C ZINC000087213881 179402634 /nfs/dbraw/zinc/40/26/34/179402634.db2.gz JKGUDWCTWKIGBJ-LSDHHAIUSA-N 1 0 288.391 2.425 10 0 CEAERO COc1cc(C[NH3+])cc(OC)c1OCC[C@H]1CCCO1 ZINC000087246116 179404678 /nfs/dbraw/zinc/40/46/78/179404678.db2.gz NJHSESLNCBLAEE-GFCCVEGCSA-N 1 0 281.352 2.110 10 0 CEAERO C[NH2+][C@@H](C)c1c(C)nn(CC[C@@H]2CCCO2)c1C ZINC000087277016 179407177 /nfs/dbraw/zinc/40/71/77/179407177.db2.gz UCXSCBRICBFLJU-GWCFXTLKSA-N 1 0 251.374 2.349 10 0 CEAERO CCC[NH2+]Cc1cc(=O)[nH]c(CSC(C)(C)C)n1 ZINC000087120843 179396271 /nfs/dbraw/zinc/39/62/71/179396271.db2.gz CMNIDQXOHVHMKE-UHFFFAOYSA-N 1 0 269.414 2.301 10 0 CEAERO Cn1cc(-c2cnc(CCC[NH2+]C(C)(C)C)o2)cn1 ZINC000087347115 179415203 /nfs/dbraw/zinc/41/52/03/179415203.db2.gz SYTAJQLTMNHQBD-UHFFFAOYSA-N 1 0 262.357 2.396 10 0 CEAERO COc1ccccc1[C@H](C[NH3+])[C@@H](O)c1ccoc1C ZINC000087371083 179416457 /nfs/dbraw/zinc/41/64/57/179416457.db2.gz HTXZEHWNXPIDRX-ZFWWWQNUSA-N 1 0 261.321 2.373 10 0 CEAERO [NH3+]C[C@@H](c1ccc(F)cc1Cl)[C@H](O)C1CCOCC1 ZINC000087380807 179417594 /nfs/dbraw/zinc/41/75/94/179417594.db2.gz HRUXPKRVTQHTFM-GXTWGEPZSA-N 1 0 287.762 2.309 10 0 CEAERO COc1cc([C@@H](O)[C@H](C[NH3+])CC(C)C)cc(OC)c1OC ZINC000087379074 179417704 /nfs/dbraw/zinc/41/77/04/179417704.db2.gz OCWDKUCRVYCLPZ-SWLSCSKDSA-N 1 0 297.395 2.367 10 0 CEAERO COc1cccc([C@H](C[NH3+])[C@@H](O)[C@@H](C)C(C)C)c1 ZINC000087380927 179417791 /nfs/dbraw/zinc/41/77/91/179417791.db2.gz MVMKLBINEUMBBP-CQDKDKBSSA-N 1 0 251.370 2.391 10 0 CEAERO CC[C@H](C[NH3+])NC(=O)CCCc1c[nH]c2ccccc12 ZINC000087385582 179418525 /nfs/dbraw/zinc/41/85/25/179418525.db2.gz USCJRNAABLGJLH-CYBMUJFWSA-N 1 0 273.380 2.344 10 0 CEAERO CCOC(=O)CC[NH2+][C@@H]1C[C@H](OCC)[C@@]1(C)CC ZINC000087300260 179410086 /nfs/dbraw/zinc/41/00/86/179410086.db2.gz FINYRHMVOWNEPW-DYEKYZERSA-N 1 0 257.374 2.123 10 0 CEAERO CNc1snc(C)c1C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000128909314 187398130 /nfs/dbraw/zinc/39/81/30/187398130.db2.gz NBMLAECTBPFABY-LLVKDONJSA-N 1 0 298.456 2.199 10 0 CEAERO CC(C)([NH3+])C(C)(C)C(=O)NCc1cc(F)ccc1F ZINC000087629889 179458875 /nfs/dbraw/zinc/45/88/75/179458875.db2.gz BEXPXCAZGKNWIZ-UHFFFAOYSA-N 1 0 270.323 2.345 10 0 CEAERO C[C@@H](CC[NH3+])C(=O)NCc1cc(Br)cs1 ZINC000087636632 179460278 /nfs/dbraw/zinc/46/02/78/179460278.db2.gz OHGKUVOJOPVOAA-ZETCQYMHSA-N 1 0 291.214 2.112 10 0 CEAERO C[C@@H]([NH3+])CCC[C@@H](C)C(=O)NC(C1CC1)C1CC1 ZINC000087698999 179472833 /nfs/dbraw/zinc/47/28/33/179472833.db2.gz PCUWJKRBOIOTJY-GHMZBOCLSA-N 1 0 252.402 2.445 10 0 CEAERO CCC[NH2+]CCOCCc1ccc(OC)c(F)c1 ZINC000087730889 179479045 /nfs/dbraw/zinc/47/90/45/179479045.db2.gz GGNNTDDLQJTADK-UHFFFAOYSA-N 1 0 255.333 2.393 10 0 CEAERO CC[NH2+][C@@H](c1cnccn1)c1ccc(OC)cc1C ZINC000087755023 179481838 /nfs/dbraw/zinc/48/18/38/179481838.db2.gz OFHUJHHLRXOAMF-OAHLLOKOSA-N 1 0 257.337 2.493 10 0 CEAERO O=C(C[NH2+]C1CCCC1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000087769584 179483945 /nfs/dbraw/zinc/48/39/45/179483945.db2.gz SYAATEBEVYQYHR-JSGCOSHPSA-N 1 0 250.386 2.310 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)Nc1ccc(OCCOC)cc1 ZINC000087522488 179440235 /nfs/dbraw/zinc/44/02/35/179440235.db2.gz JTBWMWUCJXQYQJ-LBPRGKRZSA-N 1 0 280.368 2.025 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000087524644 179440870 /nfs/dbraw/zinc/44/08/70/179440870.db2.gz MTCOSGBFKKBEBP-STQMWFEESA-N 1 0 296.436 2.241 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N[C@H](C)COc1ccc(C)cc1 ZINC000087530871 179441996 /nfs/dbraw/zinc/44/19/96/179441996.db2.gz JZDDIBFPCAXWDG-ZIAGYGMSSA-N 1 0 278.396 2.254 10 0 CEAERO CC[N@@H+]1CCOC[C@H](c2ccc(NC(C)=O)cc2)C1 ZINC000616660405 348551695 /nfs/dbraw/zinc/55/16/95/348551695.db2.gz MFGWAYVQIRZQDH-CQSZACIVSA-N 1 0 262.353 2.081 10 0 CEAERO CC(=O)[C@@H]1CCC[N@H+](CCNC(=O)OC(C)(C)C)CC1 ZINC000616628209 348539225 /nfs/dbraw/zinc/53/92/25/348539225.db2.gz OIHMPKJZLRYGOM-CYBMUJFWSA-N 1 0 284.400 2.202 10 0 CEAERO CCOC(=O)N1CC[NH2+]C[C@H]1c1ccc2ncccc2c1 ZINC000616636465 348542169 /nfs/dbraw/zinc/54/21/69/348542169.db2.gz APAGSVVNKCGMIT-HNNXBMFYSA-N 1 0 285.347 2.338 10 0 CEAERO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](C(C)(C)C)CCO1 ZINC000616648143 348546845 /nfs/dbraw/zinc/54/68/45/348546845.db2.gz SCIFARDNYJUOQM-LLVKDONJSA-N 1 0 272.389 2.010 10 0 CEAERO c1c[nH]c([C@@H]2C[N@H+](Cc3ccccc3)CCCO2)n1 ZINC000616652127 348548558 /nfs/dbraw/zinc/54/85/58/348548558.db2.gz IUDMIHBQDGYWBY-AWEZNQCLSA-N 1 0 257.337 2.373 10 0 CEAERO CCC[NH2+][C@@H](Cc1cccnc1N)[C@H]1CCCOC1 ZINC000087815205 179491279 /nfs/dbraw/zinc/49/12/79/179491279.db2.gz VCYCBQDUDSKMLT-KBPBESRZSA-N 1 0 263.385 2.001 10 0 CEAERO CC(C)(C)[N@@H+]1CCCO[C@@H](c2cccc(C(N)=O)c2)C1 ZINC000616653666 348549272 /nfs/dbraw/zinc/54/92/72/348549272.db2.gz SUKYKEYHYGKHAG-CQSZACIVSA-N 1 0 276.380 2.347 10 0 CEAERO [NH3+][C@H](Cc1ccsc1)[C@H]1COc2ccccc2O1 ZINC000087858926 179503390 /nfs/dbraw/zinc/50/33/90/179503390.db2.gz OZTWOLPVKSINQO-BXUZGUMPSA-N 1 0 261.346 2.458 10 0 CEAERO COc1cccc(Cc2cnc([C@H]3CC[NH2+]C3)o2)c1 ZINC000616575938 348525080 /nfs/dbraw/zinc/52/50/80/348525080.db2.gz NSAWSRMFUNSGIC-LBPRGKRZSA-N 1 0 258.321 2.351 10 0 CEAERO [NH3+][C@H]1CCCc2c1cnn2-c1ccc(Br)cn1 ZINC000087862701 179504230 /nfs/dbraw/zinc/50/42/30/179504230.db2.gz OSOOGIPEBJULCY-JTQLQIEISA-N 1 0 293.168 2.366 10 0 CEAERO CC(C)C[C@H](C)N(C)c1nc(NN)[nH+]cc1Cl ZINC000087866719 179505520 /nfs/dbraw/zinc/50/55/20/179505520.db2.gz FPJWCRNXCPBUOA-QMMMGPOBSA-N 1 0 257.769 2.286 10 0 CEAERO CC[N@@H+]1CCOCC[C@@H]1c1ccccc1NC(C)=O ZINC000616599633 348530404 /nfs/dbraw/zinc/53/04/04/348530404.db2.gz SWGHAJVAWLLCBC-OAHLLOKOSA-N 1 0 262.353 2.428 10 0 CEAERO CC(=O)Nc1ccccc1[C@@H]1CCCCN(CC[NH3+])C1 ZINC000616604485 348531894 /nfs/dbraw/zinc/53/18/94/348531894.db2.gz DWUDZBQYHYGQCF-CQSZACIVSA-N 1 0 275.396 2.173 10 0 CEAERO CCOC(=O)c1ccc([C@@H]2CCCC[N@H+](CCO)C2)cc1 ZINC000616605037 348532671 /nfs/dbraw/zinc/53/26/71/348532671.db2.gz KMGZDIZPBIVWCC-MRXNPFEDSA-N 1 0 291.391 2.425 10 0 CEAERO CC(C)(C)[N@@H+]1CCOC[C@H](c2ccccc2CO)C1 ZINC000616659400 348551242 /nfs/dbraw/zinc/55/12/42/348551242.db2.gz JHDQDLPQBZPBFJ-CQSZACIVSA-N 1 0 263.381 2.393 10 0 CEAERO OCC[N@@H+]1CCC[C@@H](c2cccc3ccncc32)C1 ZINC000616608849 348533725 /nfs/dbraw/zinc/53/37/25/348533725.db2.gz FGCAKEYCXFSBKW-CQSZACIVSA-N 1 0 256.349 2.407 10 0 CEAERO CC[C@H]1CCC[C@@H](Oc2nc(NN)[nH+]cc2C)C1 ZINC000087890670 179514208 /nfs/dbraw/zinc/51/42/08/179514208.db2.gz QUHKVJMKHBUPJK-WDEREUQCSA-N 1 0 250.346 2.418 10 0 CEAERO OCC[N@@H+]1CCC[C@H](c2ccc3cnccc3c2)C1 ZINC000616618205 348535652 /nfs/dbraw/zinc/53/56/52/348535652.db2.gz RULREVLOPLXXHU-INIZCTEOSA-N 1 0 256.349 2.407 10 0 CEAERO CC[C@@H]([NH3+])Cc1nc([C@H]2CCOc3ccccc32)no1 ZINC000088043142 179538277 /nfs/dbraw/zinc/53/82/77/179538277.db2.gz FKHSACHAZJHXCG-PWSUYJOCSA-N 1 0 273.336 2.264 10 0 CEAERO CC[C@H]([NH3+])Cc1nc([C@@H]2CCOc3ccccc32)no1 ZINC000088043139 179538639 /nfs/dbraw/zinc/53/86/39/179538639.db2.gz FKHSACHAZJHXCG-CMPLNLGQSA-N 1 0 273.336 2.264 10 0 CEAERO CCN(C(=O)c1c(F)cccc1OC)C1CC[NH2+]CC1 ZINC000088081044 179545316 /nfs/dbraw/zinc/54/53/16/179545316.db2.gz NLEFNSIQSPLLGP-UHFFFAOYSA-N 1 0 280.343 2.048 10 0 CEAERO COc1cccc(F)c1C(=O)NC[C@@H]1CCCC[C@@H]1[NH3+] ZINC000088082007 179546034 /nfs/dbraw/zinc/54/60/34/179546034.db2.gz LIAYCNULVVEJQU-JQWIXIFHSA-N 1 0 280.343 2.082 10 0 CEAERO CC(C)(NC(=O)C1([NH3+])CC1)c1ccc(Br)cc1 ZINC000088129788 179553102 /nfs/dbraw/zinc/55/31/02/179553102.db2.gz GTJGDAWMGPCCLO-UHFFFAOYSA-N 1 0 297.196 2.292 10 0 CEAERO C[C@H](Oc1cccc2c1CCC[C@H]2[NH3+])C(=O)N1CCCC1 ZINC000088150946 179557819 /nfs/dbraw/zinc/55/78/19/179557819.db2.gz XFDZUIWOOFSSEO-SWLSCSKDSA-N 1 0 288.391 2.412 10 0 CEAERO Cc1cc(C(N)=[NH2+])cc(C)c1OCC1CCOCC1 ZINC000088163411 179559546 /nfs/dbraw/zinc/55/95/46/179559546.db2.gz ODCOQSVLLIXRSC-UHFFFAOYSA-N 1 0 262.353 2.393 10 0 CEAERO CCOC(=O)c1ccccc1[C@@H]1COCC[N@H+](CC)C1 ZINC000616661885 348552996 /nfs/dbraw/zinc/55/29/96/348552996.db2.gz UOKDQTSPQDAVBT-ZDUSSCGKSA-N 1 0 277.364 2.299 10 0 CEAERO Nc1cc([C@@H]2CC[N@H+](Cc3ccccc3)CCO2)ccn1 ZINC000616663405 348553862 /nfs/dbraw/zinc/55/38/62/348553862.db2.gz HEXSCIWPZLJCKC-INIZCTEOSA-N 1 0 283.375 2.458 10 0 CEAERO CN(CCc1ccccc1)c1cc(C(N)=[NH2+])ccn1 ZINC000088196126 179564302 /nfs/dbraw/zinc/56/43/02/179564302.db2.gz MSHAOMKYZZHFQD-UHFFFAOYSA-N 1 0 254.337 2.045 10 0 CEAERO [NH3+]CCN1CC[C@@H](Nc2ccccn2)c2ccccc21 ZINC000616675783 348557207 /nfs/dbraw/zinc/55/72/07/348557207.db2.gz RFCSYRKMCPOCDH-CQSZACIVSA-N 1 0 268.364 2.404 10 0 CEAERO [NH3+]CCN1c2ccccc2NC[C@@H]1c1ccccn1 ZINC000616682990 348559688 /nfs/dbraw/zinc/55/96/88/348559688.db2.gz MOFYFNTUQQOXCJ-OAHLLOKOSA-N 1 0 254.337 2.014 10 0 CEAERO [NH3+]CCN1c2ccccc2NC[C@@H]1c1cccc(CCO)c1 ZINC000616692477 348562574 /nfs/dbraw/zinc/56/25/74/348562574.db2.gz SLFNEXIOVVFNHI-GOSISDBHSA-N 1 0 297.402 2.153 10 0 CEAERO C[C@H](C[NH3+])CC(=O)NCc1ccc(Br)cc1 ZINC000087983036 179530829 /nfs/dbraw/zinc/53/08/29/179530829.db2.gz JLPLUTOHZNYGAY-VIFPVBQESA-N 1 0 285.185 2.050 10 0 CEAERO CCC[C@H](COC)[NH2+]CCOc1ccccc1OC ZINC000088401321 179592928 /nfs/dbraw/zinc/59/29/28/179592928.db2.gz GFGYSNVVTLGUOI-CYBMUJFWSA-N 1 0 267.369 2.479 10 0 CEAERO CCC[C@H]1CN(CCOc2ccc(OC)cc2)CC[NH2+]1 ZINC000088415456 179595135 /nfs/dbraw/zinc/59/51/35/179595135.db2.gz BGDCXGKOZZLMFY-AWEZNQCLSA-N 1 0 278.396 2.148 10 0 CEAERO CC(C)C[C@H](C[NH3+])CC(=O)N[C@@]1(CO)CCC[C@H](C)C1 ZINC000088288529 179575016 /nfs/dbraw/zinc/57/50/16/179575016.db2.gz NRCAHHTZOFPWRD-DZKIICNBSA-N 1 0 284.444 2.055 10 0 CEAERO C[C@H](c1ccccc1Cl)N(C)C[C@@H]1COCC[NH2+]1 ZINC000088372990 179587075 /nfs/dbraw/zinc/58/70/75/179587075.db2.gz MDWRWXRGNGDNKU-VXGBXAGGSA-N 1 0 268.788 2.321 10 0 CEAERO [NH3+][C@@H](Cc1ccccc1)[C@H](O)COc1ccc(F)c(F)c1 ZINC000088398030 179592233 /nfs/dbraw/zinc/59/22/33/179592233.db2.gz ATWOPHDBHAQQLB-JKSUJKDBSA-N 1 0 293.313 2.275 10 0 CEAERO CCCn1ncnc1CO[C@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000088584932 179630899 /nfs/dbraw/zinc/63/08/99/179630899.db2.gz QGMQESVVTCCALN-TZMCWYRMSA-N 1 0 266.389 2.112 10 0 CEAERO CCn1ncnc1Cn1ccc2c1cccc2C[NH2+]C ZINC000088603070 179635182 /nfs/dbraw/zinc/63/51/82/179635182.db2.gz NBQISQUEBRTOOH-UHFFFAOYSA-N 1 0 269.352 2.020 10 0 CEAERO CC(C)n1ncnc1C[C@H](C[NH3+])Cc1ccccc1F ZINC000088620072 179640633 /nfs/dbraw/zinc/64/06/33/179640633.db2.gz GKGKUWYTFXRTLB-GFCCVEGCSA-N 1 0 276.359 2.358 10 0 CEAERO CC(C)Cn1ncnc1C[C@@H](C[NH3+])Cc1ccccc1 ZINC000088619890 179640668 /nfs/dbraw/zinc/64/06/68/179640668.db2.gz BLWZLAVKSCKGGK-HNNXBMFYSA-N 1 0 272.396 2.294 10 0 CEAERO CCC[C@H]1CN(Cc2ncnn2CC)C(CC)(CC)C[NH2+]1 ZINC000088625172 179641715 /nfs/dbraw/zinc/64/17/15/179641715.db2.gz MQCBZNMCYNQKLB-AWEZNQCLSA-N 1 0 293.459 2.431 10 0 CEAERO CCCn1ncnc1CN1CC[NH2+][C@@H](C2CCCCC2)C1 ZINC000088624822 179641940 /nfs/dbraw/zinc/64/19/40/179641940.db2.gz IVYRFLUFQQGPSB-OAHLLOKOSA-N 1 0 291.443 2.042 10 0 CEAERO CC[C@H]1CN(Cc2ncnn2CC)C(CC)(CC)C[NH2+]1 ZINC000088625385 179642617 /nfs/dbraw/zinc/64/26/17/179642617.db2.gz OMLLHIMNDFPAEY-ZDUSSCGKSA-N 1 0 279.432 2.041 10 0 CEAERO CCCn1ncnc1C[C@]1(C[NH3+])CCc2ccccc21 ZINC000088626928 179642960 /nfs/dbraw/zinc/64/29/60/179642960.db2.gz GUCFJPXFOHNHJZ-INIZCTEOSA-N 1 0 270.380 2.074 10 0 CEAERO CCCN1CC[C@H](C[NH3+])[C@@H]1c1cn2ccccc2n1 ZINC000088628009 179643823 /nfs/dbraw/zinc/64/38/23/179643823.db2.gz UEIAKQIALUEPHO-IUODEOHRSA-N 1 0 258.369 2.066 10 0 CEAERO C[NH2+][C@H](C)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1C ZINC000088714753 179656829 /nfs/dbraw/zinc/65/68/29/179656829.db2.gz BJSVRPUIYVRQGQ-KGLIPLIRSA-N 1 0 296.436 2.146 10 0 CEAERO CC[NH2+][C@H]1CCCC[C@@H]1c1nc(COCC)no1 ZINC000088739219 179661408 /nfs/dbraw/zinc/66/14/08/179661408.db2.gz UGMZAMHEJBKXLF-QWRGUYRKSA-N 1 0 253.346 2.242 10 0 CEAERO CCCNS(=O)(=O)c1cc(Cl)cc(C[NH3+])c1Cl ZINC000088976030 179688910 /nfs/dbraw/zinc/68/89/10/179688910.db2.gz JTVWMJOTDSIELV-UHFFFAOYSA-N 1 0 297.207 2.140 10 0 CEAERO COCC[NH2+]CCCc1nnc(-c2ccccc2)s1 ZINC000088813250 179677245 /nfs/dbraw/zinc/67/72/45/179677245.db2.gz BRQGWEUGQXRMFH-UHFFFAOYSA-N 1 0 277.393 2.374 10 0 CEAERO COc1ccc(CC[NH3+])cc1OCCOC(F)(F)F ZINC000089056050 179694665 /nfs/dbraw/zinc/69/46/65/179694665.db2.gz PZKWNHUOZVCUQF-UHFFFAOYSA-N 1 0 279.258 2.112 10 0 CEAERO FC(F)(F)OCCN1CC[NH2+]CC12CCCCC2 ZINC000089055930 179694718 /nfs/dbraw/zinc/69/47/18/179694718.db2.gz QTTPKAASKXMPBW-UHFFFAOYSA-N 1 0 266.307 2.131 10 0 CEAERO CC1(C)CN(CCOC(F)(F)F)[C@@](C)(C2CC2)C[NH2+]1 ZINC000089057047 179694901 /nfs/dbraw/zinc/69/49/01/179694901.db2.gz WBFNVVNCONJVKO-GFCCVEGCSA-N 1 0 280.334 2.375 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1cccn1C1CC1 ZINC000089107039 179703373 /nfs/dbraw/zinc/70/33/73/179703373.db2.gz WTWSLAWJDANWGN-WCQYABFASA-N 1 0 261.369 2.070 10 0 CEAERO NC(=O)c1ccc(Cl)cc1N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089108585 179704308 /nfs/dbraw/zinc/70/43/08/179704308.db2.gz TXHLEXXTFURXDP-BXKDBHETSA-N 1 0 281.787 2.368 10 0 CEAERO CN(C(=O)c1snnc1C(C)(C)C)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089110271 179705507 /nfs/dbraw/zinc/70/55/07/179705507.db2.gz IVCOFIIONDAQNH-ZJUUUORDSA-N 1 0 296.440 2.035 10 0 CEAERO CC[NH2+]CCCCS(=O)(=O)N1CCC[C@H](CC)CC1 ZINC000089047208 179693588 /nfs/dbraw/zinc/69/35/88/179693588.db2.gz YBOWUFYKWWHDDA-AWEZNQCLSA-N 1 0 290.473 2.218 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@H]1Nc1ccccc1-n1cncn1 ZINC000089142668 179720966 /nfs/dbraw/zinc/72/09/66/179720966.db2.gz SNAMBYHOCSMZAY-CHWSQXEVSA-N 1 0 271.368 2.197 10 0 CEAERO COCC(=O)Nc1ccc(N[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000089142865 179720997 /nfs/dbraw/zinc/72/09/97/179720997.db2.gz UEVIMENHOYKWJQ-DOMZBBRYSA-N 1 0 291.395 2.201 10 0 CEAERO CCN(C(=O)CC[C@@H]1CCCCO1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089114240 179708321 /nfs/dbraw/zinc/70/83/21/179708321.db2.gz DREFCBHCZXVSOR-QLFBSQMISA-N 1 0 282.428 2.312 10 0 CEAERO CCCc1cc(N(CC)[C@H]2CCC[C@@H]2C[NH3+])ncn1 ZINC000089116912 179711248 /nfs/dbraw/zinc/71/12/48/179711248.db2.gz FZNLQKOEXKTGQK-OCCSQVGLSA-N 1 0 262.401 2.383 10 0 CEAERO CN(C(=O)c1ccc(Cl)cn1)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089119403 179711568 /nfs/dbraw/zinc/71/15/68/179711568.db2.gz QKCWPXDUYGPQSC-GXFFZTMASA-N 1 0 281.787 2.325 10 0 CEAERO CCOc1cccc([C@H]([NH3+])Cc2cc(C)nn2C)c1 ZINC000089192501 179750015 /nfs/dbraw/zinc/75/00/15/179750015.db2.gz MQXCTCXNCGYUFH-OAHLLOKOSA-N 1 0 259.353 2.370 10 0 CEAERO CCC[NH2+][C@@H](CSC)Cc1cc(C)nn1CC ZINC000089194294 179750262 /nfs/dbraw/zinc/75/02/62/179750262.db2.gz RZKMMIOUFUMIAO-GFCCVEGCSA-N 1 0 255.431 2.485 10 0 CEAERO CC[NH2+][C@H](Cc1cc(C)nn1CC)[C@H]1CCCOC1 ZINC000089199573 179752271 /nfs/dbraw/zinc/75/22/71/179752271.db2.gz BJPRGJCCJJYYKR-DZGCQCFKSA-N 1 0 265.401 2.159 10 0 CEAERO CCOc1ccc(CN(C)C(=O)[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089455158 539717244 /nfs/dbraw/zinc/71/72/44/539717244.db2.gz LXULDJHHDHOZOJ-HOCLYGCPSA-N 1 0 290.407 2.419 10 0 CEAERO CCC[C@H](C[NH2+]CCOC)Cc1cc(CC)nn1C ZINC000089206328 179753947 /nfs/dbraw/zinc/75/39/47/179753947.db2.gz OLFJURFRVHRPQB-ZDUSSCGKSA-N 1 0 267.417 2.177 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C(C)C)CN1Cc1cc(C)nn1CC ZINC000089208578 179754830 /nfs/dbraw/zinc/75/48/30/179754830.db2.gz UTESQRILOFXCAO-HOCLYGCPSA-N 1 0 278.444 2.420 10 0 CEAERO CCc1cc(CN2C[C@](C)(CC)[NH2+]C[C@@H]2C2CC2)n(C)n1 ZINC000089210503 179755293 /nfs/dbraw/zinc/75/52/93/179755293.db2.gz RKYRHIZBNRRCMQ-SJORKVTESA-N 1 0 290.455 2.335 10 0 CEAERO CCc1nn(C)c(C[NH2+]C[C@@H]2CCCC[C@@H]2O)c1Cl ZINC000089319297 179768477 /nfs/dbraw/zinc/76/84/77/179768477.db2.gz WLNHCJBHWIJPGI-GWCFXTLKSA-N 1 0 285.819 2.277 10 0 CEAERO C[C@H](OCc1ccccc1)C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000404536666 233194553 /nfs/dbraw/zinc/19/45/53/233194553.db2.gz HGLXCQNHEUKIGX-DZGCQCFKSA-N 1 0 290.407 2.096 10 0 CEAERO Cc1nc(CN2CC[NH2+]C[C@]2(C)C2CC2)cs1 ZINC000089270250 179763244 /nfs/dbraw/zinc/76/32/44/179763244.db2.gz JGZHKKFQGWRWEW-CYBMUJFWSA-N 1 0 251.399 2.025 10 0 CEAERO CC[NH2+][C@H](CCOC)Cc1c(Cl)c(C)nn1CC ZINC000089295582 179765858 /nfs/dbraw/zinc/76/58/58/179765858.db2.gz BUVNQBXFYLVWEL-LLVKDONJSA-N 1 0 273.808 2.422 10 0 CEAERO CC[NH2+][C@@H](COC)Cc1c(Cl)c(C)nn1CC ZINC000089295658 179765974 /nfs/dbraw/zinc/76/59/74/179765974.db2.gz XSRVHWWKOPZEMO-SNVBAGLBSA-N 1 0 259.781 2.032 10 0 CEAERO COCCOc1cccc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089454788 179793698 /nfs/dbraw/zinc/79/36/98/179793698.db2.gz YSRVMJIGDIFOHC-DOMZBBRYSA-N 1 0 292.379 2.025 10 0 CEAERO COc1cccc(N(C)C(=O)[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000089461194 179795748 /nfs/dbraw/zinc/79/57/48/179795748.db2.gz DOAFFBDJZDDCCO-FZMZJTMJSA-N 1 0 262.353 2.033 10 0 CEAERO CCCC1CCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089461422 179795754 /nfs/dbraw/zinc/79/57/54/179795754.db2.gz RFIRQBXOFRUBNV-KGLIPLIRSA-N 1 0 252.402 2.400 10 0 CEAERO NC(=O)c1ccc(F)c(COC[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000089535274 179812291 /nfs/dbraw/zinc/81/22/91/179812291.db2.gz RBHVSJBJJQQKQX-CHWSQXEVSA-N 1 0 294.370 2.206 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@H]1COCC(=O)Nc1ccccc1 ZINC000089536146 179812317 /nfs/dbraw/zinc/81/23/17/179812317.db2.gz YSGJNEDVJWZYEF-KGLIPLIRSA-N 1 0 276.380 2.407 10 0 CEAERO CCn1nc(C)cc1COC[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089537258 179813023 /nfs/dbraw/zinc/81/30/23/179813023.db2.gz AMPHDVKNRUKNED-OLZOCXBDSA-N 1 0 251.374 2.103 10 0 CEAERO Cn1c2ccccc2nc1OC[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089538913 179814221 /nfs/dbraw/zinc/81/42/21/179814221.db2.gz QIHDVUBTBQSSME-NEPJUHHUSA-N 1 0 259.353 2.327 10 0 CEAERO CC(C)C[NH2+]C[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000089556778 179816181 /nfs/dbraw/zinc/81/61/81/179816181.db2.gz FMNAXXXXDTUOPJ-ZDUSSCGKSA-N 1 0 298.452 2.286 10 0 CEAERO COc1ccccc1OCC[NH2+]C[C@@H]1CCC[C@H]1CO ZINC000089498605 179804419 /nfs/dbraw/zinc/80/44/19/179804419.db2.gz YVUUQKUGERSYQI-KBPBESRZSA-N 1 0 279.380 2.072 10 0 CEAERO CCOc1ccc(C(=O)NC[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089500618 179804884 /nfs/dbraw/zinc/80/48/84/179804884.db2.gz KOHUARYVHPWKAA-KGLIPLIRSA-N 1 0 276.380 2.190 10 0 CEAERO OC[C@@H]1CCC[C@H]1C[NH2+]CC1(O)CCCCCC1 ZINC000089498961 179805078 /nfs/dbraw/zinc/80/50/78/179805078.db2.gz JHZGYEYBSFXAPE-KBPBESRZSA-N 1 0 255.402 2.070 10 0 CEAERO OC[C@H]1CCCC[C@@H]1C[NH2+]Cc1cnn2ccccc12 ZINC000089504501 179806647 /nfs/dbraw/zinc/80/66/47/179806647.db2.gz HXRFXBQEKFPKHP-ZIAGYGMSSA-N 1 0 273.380 2.223 10 0 CEAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+]C[C@H]1CCCC[C@@H]1CO ZINC000089531060 179811097 /nfs/dbraw/zinc/81/10/97/179811097.db2.gz YSQUGAUWBRHTJE-BFHYXJOUSA-N 1 0 284.444 2.068 10 0 CEAERO C[C@@H](Cc1cccc(Cl)c1)NC(=O)C[C@H]1CC[NH2+]C1 ZINC000089742177 179857560 /nfs/dbraw/zinc/85/75/60/179857560.db2.gz ABTKXLJTICFMLD-WCQYABFASA-N 1 0 280.799 2.387 10 0 CEAERO O=C(C[C@@H]1CC[NH2+]C1)N[C@H](c1ccco1)c1ccccc1 ZINC000089742615 179857698 /nfs/dbraw/zinc/85/76/98/179857698.db2.gz NVRNEKYQGGPVSB-GUYCJALGSA-N 1 0 284.359 2.485 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCC(=O)NC1=O)c1ccc2ccccc2c1 ZINC000089755913 179861937 /nfs/dbraw/zinc/86/19/37/179861937.db2.gz HQOLEQGIHQUKRV-XHDPSFHLSA-N 1 0 282.343 2.296 10 0 CEAERO C[NH2+][C@H](C)CCc1ccc(OC)c(OC)c1OC ZINC000089631576 179834143 /nfs/dbraw/zinc/83/41/43/179834143.db2.gz DZEFCDJNWACEIP-SNVBAGLBSA-N 1 0 253.342 2.253 10 0 CEAERO NC(=[NH2+])c1ccc(SCCCO)cc1C(F)(F)F ZINC000090107822 179915794 /nfs/dbraw/zinc/91/57/94/179915794.db2.gz MVBQDDXJDYQPPR-UHFFFAOYSA-N 1 0 278.299 2.464 10 0 CEAERO Cc1cc(C(=O)N(CCC[NH3+])C2CCCCCC2)n(C)n1 ZINC000090120340 179916353 /nfs/dbraw/zinc/91/63/53/179916353.db2.gz PEKIODRGKALMOJ-UHFFFAOYSA-N 1 0 292.427 2.242 10 0 CEAERO CCCN(C(=O)c1cc(C)nn1C)c1ccc(C[NH3+])cc1 ZINC000090120378 179916433 /nfs/dbraw/zinc/91/64/33/179916433.db2.gz BXKVDNGPOIIUIM-UHFFFAOYSA-N 1 0 286.379 2.244 10 0 CEAERO CCN(Cc1ccc(OC(F)F)cc1)C1C[NH2+]C1 ZINC000090290704 179950467 /nfs/dbraw/zinc/95/04/67/179950467.db2.gz XPKCTMGKSKOKNW-UHFFFAOYSA-N 1 0 256.296 2.082 10 0 CEAERO CCN(Cc1cc(F)cc2cccnc21)C1C[NH2+]C1 ZINC000090291863 179951155 /nfs/dbraw/zinc/95/11/55/179951155.db2.gz QPLVCEUKSAZSLJ-UHFFFAOYSA-N 1 0 259.328 2.168 10 0 CEAERO Cc1ccc2c(c1)nc(COC1CC[NH2+]CC1)n2C ZINC000104381083 185987389 /nfs/dbraw/zinc/98/73/89/185987389.db2.gz GJLVOVAPUJCNPD-UHFFFAOYSA-N 1 0 259.353 2.150 10 0 CEAERO CC(C)(C)[NH2+]Cc1cncn1CC1CCOCC1 ZINC000090242590 179939345 /nfs/dbraw/zinc/93/93/45/179939345.db2.gz AZEHACJZOBGCDJ-UHFFFAOYSA-N 1 0 251.374 2.198 10 0 CEAERO COCc1cc(COc2ccc([C@@H](C)[NH3+])cc2)no1 ZINC000090254838 179941314 /nfs/dbraw/zinc/94/13/14/179941314.db2.gz MRCDIEINFASOLC-SNVBAGLBSA-N 1 0 262.309 2.420 10 0 CEAERO COC(OC)[C@](C)(C[NH3+])N(C)c1ccc(C)cc1C ZINC000090266573 179942680 /nfs/dbraw/zinc/94/26/80/179942680.db2.gz ZWCBORGZTKFLDY-HNNXBMFYSA-N 1 0 266.385 2.076 10 0 CEAERO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1c1nc2ccccc2s1 ZINC000090328595 179959643 /nfs/dbraw/zinc/95/96/43/179959643.db2.gz KLFFAVQZTAXHLQ-GMTAPVOTSA-N 1 0 259.378 2.340 10 0 CEAERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)CCc1ccccc1 ZINC000090336486 179964953 /nfs/dbraw/zinc/96/49/53/179964953.db2.gz CFNNXLLYFKJBKX-HUUCEWRRSA-N 1 0 272.392 2.076 10 0 CEAERO CC1(C)[C@H]2C[NH2+]C[C@@H]2CN1C(=O)Nc1ccccc1F ZINC000090336719 179965755 /nfs/dbraw/zinc/96/57/55/179965755.db2.gz DQJYFVLTZQGQDK-MNOVXSKESA-N 1 0 277.343 2.287 10 0 CEAERO C[C@H]([NH3+])CCSCC(=O)N(C)C1CCCCC1 ZINC000090346030 179970271 /nfs/dbraw/zinc/97/02/71/179970271.db2.gz KQHXNDSUOUASSP-NSHDSACASA-N 1 0 258.431 2.248 10 0 CEAERO COC(=O)c1cccc(CSCC[C@H](C)[NH3+])c1 ZINC000090346754 179970499 /nfs/dbraw/zinc/97/04/99/179970499.db2.gz SLSIFKQHQVTIKS-JTQLQIEISA-N 1 0 253.367 2.444 10 0 CEAERO C[C@@H]([NH3+])CCSCC(=O)N1c2ccccc2C[C@@H]1C ZINC000090346066 179970674 /nfs/dbraw/zinc/97/06/74/179970674.db2.gz QYMWIKLADYATOO-NEPJUHHUSA-N 1 0 278.421 2.435 10 0 CEAERO C[C@H]([NH3+])CCSCC(=O)N1CCc2ccccc21 ZINC000090346320 179970686 /nfs/dbraw/zinc/97/06/86/179970686.db2.gz AUGQMEFDKKVAOS-NSHDSACASA-N 1 0 264.394 2.046 10 0 CEAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623768397 350107832 /nfs/dbraw/zinc/10/78/32/350107832.db2.gz UZEPJWYYPBKCMU-DTWKUNHWSA-N 1 0 281.299 2.006 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1c1nc2ccccc2n1C ZINC000090526600 179997769 /nfs/dbraw/zinc/99/77/69/179997769.db2.gz WGLRHJDTXLSBAB-WCQYABFASA-N 1 0 259.353 2.055 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)NC1CCCCCCC1 ZINC000090538651 180000126 /nfs/dbraw/zinc/00/01/26/180000126.db2.gz FPFHHKMHQSAVCU-LSDHHAIUSA-N 1 0 282.428 2.230 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1cccc(C)c1C ZINC000090539166 180000454 /nfs/dbraw/zinc/00/04/54/180000454.db2.gz XLUARFLUVHJHRJ-ZFWWWQNUSA-N 1 0 276.380 2.257 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1cc(C)cc(C)c1 ZINC000090539027 180000471 /nfs/dbraw/zinc/00/04/71/180000471.db2.gz XJQURCPPRPUENM-LSDHHAIUSA-N 1 0 276.380 2.257 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)NC(C)(C)CC(C)(C)C ZINC000090541300 180000484 /nfs/dbraw/zinc/00/04/84/180000484.db2.gz HZPVVOYMJDJCLZ-STQMWFEESA-N 1 0 284.444 2.332 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N[C@@H](C)C1CCCCC1 ZINC000090544672 180001271 /nfs/dbraw/zinc/00/12/71/180001271.db2.gz CYGLJMKTHAABKN-AEGPPILISA-N 1 0 282.428 2.086 10 0 CEAERO CCCCCN(C(=O)[C@@H]1COC[C@H]1[NH2+]CCC)C(C)C ZINC000090541902 180001330 /nfs/dbraw/zinc/00/13/30/180001330.db2.gz RAFFDKUZAUFCML-HUUCEWRRSA-N 1 0 284.444 2.428 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1CN1CCc2ccccc21 ZINC000090566033 180006135 /nfs/dbraw/zinc/00/61/35/180006135.db2.gz GOJMDCFRGRNCML-GJZGRUSLSA-N 1 0 260.381 2.064 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1CN1CCC[C@H](C(F)(F)F)C1 ZINC000090567240 180006637 /nfs/dbraw/zinc/00/66/37/180006637.db2.gz NACKMPDFTKWHJQ-FRRDWIJNSA-N 1 0 294.361 2.275 10 0 CEAERO CCC[NH2+]Cc1c(C)nn(C)c1SCCCOC ZINC000104438343 186001942 /nfs/dbraw/zinc/00/19/42/186001942.db2.gz XTCFGEYKTXWASH-UHFFFAOYSA-N 1 0 271.430 2.357 10 0 CEAERO CC(C)CCN(CCC(C)C)C(=O)[C@@]1(C)COC[C@H]1[NH3+] ZINC000090591434 180010382 /nfs/dbraw/zinc/01/03/82/180010382.db2.gz AJTAXNBCDGIFKK-ZBFHGGJFSA-N 1 0 284.444 2.271 10 0 CEAERO CN(CC[C@H]1CCCC[NH2+]1)CC(=O)Nc1ccccc1 ZINC000090693478 180025364 /nfs/dbraw/zinc/02/53/64/180025364.db2.gz WJZTXQYBKJHNDF-CQSZACIVSA-N 1 0 275.396 2.089 10 0 CEAERO CC(C)C(=O)N1CCCSC[C@H]1C[NH+]1CCCCC1 ZINC000090701267 180027946 /nfs/dbraw/zinc/02/79/46/180027946.db2.gz YVKZJVHBUFKHBN-CQSZACIVSA-N 1 0 284.469 2.462 10 0 CEAERO CCN(c1ccnc(C(=O)OC)c1)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000090739361 180034962 /nfs/dbraw/zinc/03/49/62/180034962.db2.gz FJRNKDCRKZXLAN-IUODEOHRSA-N 1 0 291.395 2.212 10 0 CEAERO CCOc1ccc(Nc2cc(OC)ncn2)cc1C[NH3+] ZINC000090783989 180039240 /nfs/dbraw/zinc/03/92/40/180039240.db2.gz MLRLANRDJSKFDU-UHFFFAOYSA-N 1 0 274.324 2.086 10 0 CEAERO CCC[NH2+]C[C@@H]1CCCN1c1ncncc1Br ZINC000090782579 180039483 /nfs/dbraw/zinc/03/94/83/180039483.db2.gz UCLFJKMVFRUQDQ-JTQLQIEISA-N 1 0 299.216 2.208 10 0 CEAERO CCOc1ncnc(N(C)c2cccc(C[NH3+])c2)c1C ZINC000090789520 180041773 /nfs/dbraw/zinc/04/17/73/180041773.db2.gz RUNBRGXNOQXKGQ-UHFFFAOYSA-N 1 0 272.352 2.410 10 0 CEAERO CCOc1ncnc(NC[C@H]2CCCC[C@@H]2[NH3+])c1C ZINC000090790165 180042315 /nfs/dbraw/zinc/04/23/15/180042315.db2.gz WCZXPFQEFJCSIX-NEPJUHHUSA-N 1 0 264.373 2.113 10 0 CEAERO CCOc1ncnc(NCCC[NH+]2CCCC2)c1C ZINC000090791372 180043005 /nfs/dbraw/zinc/04/30/05/180043005.db2.gz CGOWEIPNTLTKEY-UHFFFAOYSA-N 1 0 264.373 2.082 10 0 CEAERO C[C@H]([NH2+]C[C@H](C)[S@](C)=O)c1cc(F)cc(F)c1 ZINC000090843192 180044214 /nfs/dbraw/zinc/04/42/14/180044214.db2.gz WONDSUMTIUPQNY-IRWWLHRVSA-N 1 0 261.337 2.382 10 0 CEAERO C[NH2+]Cc1cccc(SC[C@H](O)C(F)(F)F)c1 ZINC000090870849 180049036 /nfs/dbraw/zinc/04/90/36/180049036.db2.gz RZASSOINHMXSMQ-JTQLQIEISA-N 1 0 265.300 2.421 10 0 CEAERO CCN(C(=O)CSc1cccc(C[NH3+])c1)C1CC1 ZINC000090870334 180049431 /nfs/dbraw/zinc/04/94/31/180049431.db2.gz CQXJKFLJFZOWQU-UHFFFAOYSA-N 1 0 264.394 2.248 10 0 CEAERO CCC[NH2+]Cc1cccc(SCCS(C)(=O)=O)c1 ZINC000090871413 180049734 /nfs/dbraw/zinc/04/97/34/180049734.db2.gz NTQPJQCRZKWVFQ-UHFFFAOYSA-N 1 0 287.450 2.323 10 0 CEAERO CC(C)[NH2+]Cc1cccc(SCC(=O)N(C)C)c1 ZINC000090871864 180050111 /nfs/dbraw/zinc/05/01/11/180050111.db2.gz LGKWBFWEKRTSML-UHFFFAOYSA-N 1 0 266.410 2.365 10 0 CEAERO CC[C@@H]([NH3+])Cc1nccn1C[C@H]1Cc2ccccc2O1 ZINC000090877417 180052400 /nfs/dbraw/zinc/05/24/00/180052400.db2.gz FBTXXMDIJXLBKC-ZIAGYGMSSA-N 1 0 271.364 2.167 10 0 CEAERO COCC[NH2+]C[C@]1(C[C@H]2Cc3ccccc3O2)CCOC1 ZINC000090877336 180052457 /nfs/dbraw/zinc/05/24/57/180052457.db2.gz ZRNOJKBHJDKWSE-NVXWUHKLSA-N 1 0 291.391 2.023 10 0 CEAERO CC[C@H](C)NC(=O)CC[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892250 180054152 /nfs/dbraw/zinc/05/41/52/180054152.db2.gz XGLUVYRKODHJLV-FZMZJTMJSA-N 1 0 294.370 2.024 10 0 CEAERO Fc1ccc2c(c1)C[C@@H](C[NH2+]CCc1cccnc1)O2 ZINC000090892215 180054243 /nfs/dbraw/zinc/05/42/43/180054243.db2.gz URJMBOPSWJZREN-HNNXBMFYSA-N 1 0 272.323 2.357 10 0 CEAERO OCC1([NH2+]C[C@@H]2Cc3cc(F)ccc3O2)CCCC1 ZINC000090892692 180054695 /nfs/dbraw/zinc/05/46/95/180054695.db2.gz JSGULRUXVJVUPR-ZDUSSCGKSA-N 1 0 265.328 2.024 10 0 CEAERO C[C@@H](C[NH3+])CSC[C@H]1Cc2cc(F)ccc2O1 ZINC000090893455 180054829 /nfs/dbraw/zinc/05/48/29/180054829.db2.gz YQUWOZBWGKDWKA-JOYOIKCWSA-N 1 0 255.358 2.457 10 0 CEAERO CC[C@H](COC)[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892875 180054848 /nfs/dbraw/zinc/05/48/48/180054848.db2.gz CIGUKMOTGJARRD-OLZOCXBDSA-N 1 0 253.317 2.144 10 0 CEAERO CC(=O)[C@@H]1CCC[N@H+](C[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090893211 180054976 /nfs/dbraw/zinc/05/49/76/180054976.db2.gz CTMHWNPVIPYPCS-DOMZBBRYSA-N 1 0 277.339 2.430 10 0 CEAERO CCOC[C@@H](C)[NH2+]C[C@H]1Cc2cc(F)ccc2O1 ZINC000090892569 180055433 /nfs/dbraw/zinc/05/54/33/180055433.db2.gz OOCNVLUOONUTPD-ZWNOBZJWSA-N 1 0 253.317 2.144 10 0 CEAERO C[C@@H]1CCCN(C[C@@H]2Cc3cc(F)ccc3O2)[C@@H]1C[NH3+] ZINC000090893471 180055494 /nfs/dbraw/zinc/05/54/94/180055494.db2.gz HNLHXDFPOTUYFV-BYCMXARLSA-N 1 0 278.371 2.188 10 0 CEAERO Cc1nn(C[C@@H]2Cc3cc(F)ccc3O2)c(C)c1CC[NH3+] ZINC000090895267 180055650 /nfs/dbraw/zinc/05/56/50/180055650.db2.gz QGDFOHCIUYORRZ-AWEZNQCLSA-N 1 0 289.354 2.144 10 0 CEAERO [NH3+]C[C@]1(C[C@H]2Cc3cc(F)ccc3O2)CCCC[C@@H]1O ZINC000090896385 180056972 /nfs/dbraw/zinc/05/69/72/180056972.db2.gz DZAYQQWSFBUSPT-VNQPRFMTSA-N 1 0 279.355 2.399 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[NH2+]C[C@H]1CCC[C@@H]1O)O2 ZINC000090898276 180058042 /nfs/dbraw/zinc/05/80/42/180058042.db2.gz KVJYBJKHIPWVKI-YUELXQCFSA-N 1 0 261.365 2.049 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](C[N@@H+](CCCO)C(C)C)O2 ZINC000090900936 180058772 /nfs/dbraw/zinc/05/87/72/180058772.db2.gz SCUYHHSRSSFJIK-HNNXBMFYSA-N 1 0 263.381 2.391 10 0 CEAERO CCN(C[C@H]1Cc2cc(Cl)ccc2O1)[C@@H]1CC[NH2+]C1 ZINC000090900134 180058948 /nfs/dbraw/zinc/05/89/48/180058948.db2.gz PDGGLXVJUPPYCL-ZIAGYGMSSA-N 1 0 280.799 2.327 10 0 CEAERO CCOC(=O)CC[N@H+](C)C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090900855 180059177 /nfs/dbraw/zinc/05/91/77/180059177.db2.gz MDSQJDRJLOHROB-AWEZNQCLSA-N 1 0 277.364 2.184 10 0 CEAERO CC[NH2+]Cc1cn(C[C@@H]2Cc3cc(Cl)ccc3O2)nn1 ZINC000090902955 180059597 /nfs/dbraw/zinc/05/95/97/180059597.db2.gz QZCTZAFQALYSNE-ZDUSSCGKSA-N 1 0 292.770 2.045 10 0 CEAERO CC[C@@](C)(CO)[NH2+]C[C@H]1Cc2cc(Cl)ccc2O1 ZINC000090905017 180059830 /nfs/dbraw/zinc/05/98/30/180059830.db2.gz GJCLPAZZWROWFW-OCCSQVGLSA-N 1 0 269.772 2.394 10 0 CEAERO CC[C@@](C)(CO)[NH2+]C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090905015 180060110 /nfs/dbraw/zinc/06/01/10/180060110.db2.gz GJCLPAZZWROWFW-JSGCOSHPSA-N 1 0 269.772 2.394 10 0 CEAERO Clc1ccc2c(c1)C[C@H](C[NH2+]CCN1CCCC1)O2 ZINC000090904643 180060190 /nfs/dbraw/zinc/06/01/90/180060190.db2.gz CUYBTRUMBDUKRB-CQSZACIVSA-N 1 0 280.799 2.329 10 0 CEAERO CN1CCC([NH2+]C[C@@H]2Cc3cc(Cl)ccc3O2)CC1 ZINC000090903509 180060376 /nfs/dbraw/zinc/06/03/76/180060376.db2.gz YHGVRJYIPZSZSV-AWEZNQCLSA-N 1 0 280.799 2.327 10 0 CEAERO C[NH2+][C@H](CN1C[C@H]2CC[C@@H](C1)O2)c1cc(C)ccc1OC ZINC000090906133 180060835 /nfs/dbraw/zinc/06/08/35/180060835.db2.gz AQCYVJLLFYJZNX-IJEWVQPXSA-N 1 0 290.407 2.127 10 0 CEAERO CCOC[C@H](C)[NH2+]Cc1sccc1NC(C)=O ZINC000090960519 180075517 /nfs/dbraw/zinc/07/55/17/180075517.db2.gz ALVFWNJABCWREM-VIFPVBQESA-N 1 0 256.371 2.221 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+]CC1CCOCC1 ZINC000090960718 180076304 /nfs/dbraw/zinc/07/63/04/180076304.db2.gz XZFNQVNAOOEMKE-UHFFFAOYSA-N 1 0 268.382 2.223 10 0 CEAERO CCOC(=O)CCC[NH2+]Cc1ccccc1NC(C)=O ZINC000090962764 180076980 /nfs/dbraw/zinc/07/69/80/180076980.db2.gz GDMVSRZNMMZKIH-UHFFFAOYSA-N 1 0 278.352 2.078 10 0 CEAERO FC(F)(F)COCC[NH2+]C[C@@H]1Cc2ccccc21 ZINC000090976773 180078880 /nfs/dbraw/zinc/07/88/80/180078880.db2.gz XJCMRFWFRIUALU-NSHDSACASA-N 1 0 259.271 2.495 10 0 CEAERO C[C@@H]1C[NH2+][C@H](C2CC2)CN1C[C@@H]1Cc2ccccc21 ZINC000090982226 180079369 /nfs/dbraw/zinc/07/93/69/180079369.db2.gz HWXLRZVVLXTUTI-PVUWLOKVSA-N 1 0 256.393 2.399 10 0 CEAERO c1ccc2c(c1)C[C@@H]2c1nc(C[C@@H]2CCC[NH2+]C2)no1 ZINC000090986704 180080596 /nfs/dbraw/zinc/08/05/96/180080596.db2.gz JUABMKLOURIUJP-FZMZJTMJSA-N 1 0 269.348 2.300 10 0 CEAERO [NH3+]C[C@H](Cc1ccccc1)NC(=O)[C@H]1Cc2ccccc21 ZINC000090987176 180080816 /nfs/dbraw/zinc/08/08/16/180080816.db2.gz ICZYKWCGZPFXLE-RDJZCZTQSA-N 1 0 280.371 2.013 10 0 CEAERO C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1Cc2ccccc21 ZINC000090985556 180080899 /nfs/dbraw/zinc/08/08/99/180080899.db2.gz AENURWPRLMTXRF-GDBMZVCRSA-N 1 0 272.392 2.317 10 0 CEAERO [NH3+]CCc1cccc(C(=O)NC[C@H]2Cc3ccccc32)c1 ZINC000090992105 180081294 /nfs/dbraw/zinc/08/12/94/180081294.db2.gz PSNXYZKJAVOKPW-MRXNPFEDSA-N 1 0 280.371 2.258 10 0 CEAERO O[C@@H](C[NH2+]C[C@H]1Cc2ccccc21)COC1CCCC1 ZINC000090992459 180081378 /nfs/dbraw/zinc/08/13/78/180081378.db2.gz ILBIVYFGBOQKJM-CABCVRRESA-N 1 0 275.392 2.236 10 0 CEAERO CCC[NH2+][C@@H]1CCCN(C[C@H]2Cc3ccccc32)C1=O ZINC000090993383 180082030 /nfs/dbraw/zinc/08/20/30/180082030.db2.gz RNOIGDUDVVVVLN-GDBMZVCRSA-N 1 0 272.392 2.317 10 0 CEAERO CC(C)C[NH2+]Cc1cccn1CC(=O)NC1CCCC1 ZINC000091001853 180083549 /nfs/dbraw/zinc/08/35/49/180083549.db2.gz XLMVKTUTOGSMFU-UHFFFAOYSA-N 1 0 277.412 2.293 10 0 CEAERO CC(C)[NH2+]Cc1ccn(Cc2nc(C3CC3)no2)c1 ZINC000091003617 180083821 /nfs/dbraw/zinc/08/38/21/180083821.db2.gz NHJXYKSKIJPTPG-UHFFFAOYSA-N 1 0 260.341 2.295 10 0 CEAERO C[NH2+]Cc1ccn(C[C@H]2Cc3cc(F)ccc3O2)c1 ZINC000091003079 180084092 /nfs/dbraw/zinc/08/40/92/180084092.db2.gz OHATWGPHHGFTBF-CQSZACIVSA-N 1 0 260.312 2.350 10 0 CEAERO Cn1c(Cl)cnc1Cn1ccc(C[NH2+]C2CC2)c1 ZINC000091003943 180084274 /nfs/dbraw/zinc/08/42/74/180084274.db2.gz XCRHMIYTVIVWDE-UHFFFAOYSA-N 1 0 264.760 2.175 10 0 CEAERO CC[C@H]([NH3+])Cc1ccn(Cc2cn3ccccc3n2)c1 ZINC000091006173 180084728 /nfs/dbraw/zinc/08/47/28/180084728.db2.gz OCCSXCMONQYINY-AWEZNQCLSA-N 1 0 268.364 2.464 10 0 CEAERO COCCOCCn1cc(C[C@H](C)[NH3+])c2ccccc21 ZINC000091005149 180084780 /nfs/dbraw/zinc/08/47/80/180084780.db2.gz NPGRXCRBNGGVHN-ZDUSSCGKSA-N 1 0 276.380 2.194 10 0 CEAERO [NH3+]Cc1cn(C[C@@H]2Cc3ccccc3O2)c2ncccc12 ZINC000091018861 180086899 /nfs/dbraw/zinc/08/68/99/180086899.db2.gz WDTUSHONIPBTJL-AWEZNQCLSA-N 1 0 279.343 2.499 10 0 CEAERO c1nc(CC[NH2+]Cc2c[nH]c3ncccc23)cs1 ZINC000091018469 180086925 /nfs/dbraw/zinc/08/69/25/180086925.db2.gz FMRMTIACLDMNEM-UHFFFAOYSA-N 1 0 258.350 2.352 10 0 CEAERO Cc1nc(Cn2cc(CC[NH3+])c3cccnc32)cs1 ZINC000091021328 180088751 /nfs/dbraw/zinc/08/87/51/180088751.db2.gz QWCXZFLIHYKIQC-UHFFFAOYSA-N 1 0 272.377 2.351 10 0 CEAERO CCn1c(C[C@@H]2CSCC[NH2+]2)nc2ccc(F)cc21 ZINC000091128656 180100064 /nfs/dbraw/zinc/10/00/64/180100064.db2.gz NTIOZRLFSDYLGY-LLVKDONJSA-N 1 0 279.384 2.443 10 0 CEAERO C[C@@H]1Cn2c(nc3cc(Br)ccc32)CC[NH2+]1 ZINC000091301897 180129255 /nfs/dbraw/zinc/12/92/55/180129255.db2.gz QIDKMDYTFBXGRW-MRVPVSSYSA-N 1 0 280.169 2.333 10 0 CEAERO CCCNC(=O)C[C@@H](C[NH3+])N1CCCCc2ccccc21 ZINC000091317856 180133892 /nfs/dbraw/zinc/13/38/92/180133892.db2.gz GUDMWDISPFNNED-HNNXBMFYSA-N 1 0 289.423 2.073 10 0 CEAERO CCN(CC)C(=O)C[C@H](CN)[NH+](CC(C)C)CC(C)C ZINC000091322715 180134425 /nfs/dbraw/zinc/13/44/25/180134425.db2.gz IKEKKTKMLDUOKY-OAHLLOKOSA-N 1 0 285.476 2.186 10 0 CEAERO [NH3+]C[C@H](CC(=O)N1CCCCC1)Nc1ccc(Cl)cc1 ZINC000091325629 180135067 /nfs/dbraw/zinc/13/50/67/180135067.db2.gz XDJIOGITVBAXFY-AWEZNQCLSA-N 1 0 295.814 2.482 10 0 CEAERO Cc1ncc(C[C@@](C[NH3+])(c2ccccc2)[C@H](C)O)s1 ZINC000091327586 180135749 /nfs/dbraw/zinc/13/57/49/180135749.db2.gz JUVHZCDFXDYGJN-NHYWBVRUSA-N 1 0 276.405 2.272 10 0 CEAERO CCn1nc(C)cc1C[C@@](C[NH3+])(c1ccccc1)[C@H](C)O ZINC000091327818 180135874 /nfs/dbraw/zinc/13/58/74/180135874.db2.gz WNOSDLLKFVPBSN-YOEHRIQHSA-N 1 0 287.407 2.031 10 0 CEAERO c1nn(-c2ccccn2)c(C2CC2)c1C[NH2+]C1CC1 ZINC000091335664 180136269 /nfs/dbraw/zinc/13/62/69/180136269.db2.gz WQVFATPABZVYPV-UHFFFAOYSA-N 1 0 254.337 2.397 10 0 CEAERO C[S@](=O)CCC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000091342216 180136902 /nfs/dbraw/zinc/13/69/02/180136902.db2.gz PMTPTRCSLSQDCK-RHSMWYFYSA-N 1 0 251.395 2.496 10 0 CEAERO COc1ccc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)cn1 ZINC000091358866 180140717 /nfs/dbraw/zinc/14/07/17/180140717.db2.gz UKXMWRCZGZKCRR-UBHSHLNASA-N 1 0 289.379 2.340 10 0 CEAERO COc1ccc(OC)c([C@H]([NH3+])CSC[C@H](C)CO)c1 ZINC000091261627 180115964 /nfs/dbraw/zinc/11/59/64/180115964.db2.gz URUVTHDCQMBBPH-ZWNOBZJWSA-N 1 0 285.409 2.065 10 0 CEAERO COc1ccccc1[C@@H](C[NH3+])S[C@H](C)CCO ZINC000091262578 180116593 /nfs/dbraw/zinc/11/65/93/180116593.db2.gz MSSOAUWPYXYYLU-ZWNOBZJWSA-N 1 0 255.383 2.199 10 0 CEAERO CN(Cc1ccc(F)cc1)[C@H](C[NH3+])c1cncn1C1CC1 ZINC000091276318 180119651 /nfs/dbraw/zinc/11/96/51/180119651.db2.gz CUKTUKDMABHJGH-OAHLLOKOSA-N 1 0 288.370 2.489 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(F)cc1OCc1cncn1C ZINC000091278450 180120836 /nfs/dbraw/zinc/12/08/36/180120836.db2.gz ABPUVOONXMGICN-JTQLQIEISA-N 1 0 263.316 2.419 10 0 CEAERO CC[NH2+][C@H]1COc2cc(OCc3cncn3C)ccc21 ZINC000091278469 180120953 /nfs/dbraw/zinc/12/09/53/180120953.db2.gz RREHFORVZHMTJG-AWEZNQCLSA-N 1 0 273.336 2.042 10 0 CEAERO Cn1cncc1COc1ccc(C[NH3+])cc1C(F)(F)F ZINC000091278472 180121366 /nfs/dbraw/zinc/12/13/66/180121366.db2.gz QNVGVSCKXVRSBZ-UHFFFAOYSA-N 1 0 285.269 2.477 10 0 CEAERO Cc1ccc2c(c1)nc(C[C@H]1C[NH2+]CCO1)n2C(C)C ZINC000091293202 180124159 /nfs/dbraw/zinc/12/41/59/180124159.db2.gz PLFHCWJNCRLGHV-ZDUSSCGKSA-N 1 0 273.380 2.457 10 0 CEAERO CCNc1ccc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000091430424 180153184 /nfs/dbraw/zinc/15/31/84/180153184.db2.gz RSSUUALAVCZABI-OAHLLOKOSA-N 1 0 275.396 2.285 10 0 CEAERO C[NH+](C)[C@H]1CCCN(c2nc(C3CC3)c(C=O)s2)C1 ZINC000091449312 180157303 /nfs/dbraw/zinc/15/73/03/180157303.db2.gz CUFDLNKBOFIQAN-NSHDSACASA-N 1 0 279.409 2.363 10 0 CEAERO CC(C)[NH2+]Cc1ccccc1N(C)CC1CC(O)C1 ZINC000091463071 180162430 /nfs/dbraw/zinc/16/24/30/180162430.db2.gz VKASDNABKIFTNV-UHFFFAOYSA-N 1 0 262.397 2.392 10 0 CEAERO COc1ccccc1C[C@](C)(O)CC[NH2+]C(C)C ZINC000091465822 180163751 /nfs/dbraw/zinc/16/37/51/180163751.db2.gz PFZIAAIUTAMUPJ-OAHLLOKOSA-N 1 0 251.370 2.377 10 0 CEAERO COCC[NH2+]C[C@H](O)Cc1c(Cl)cccc1Cl ZINC000091467715 180164429 /nfs/dbraw/zinc/16/44/29/180164429.db2.gz HIXXCEJUZFWRQR-SECBINFHSA-N 1 0 278.179 2.133 10 0 CEAERO O[C@@H](C[NH2+]C1CC1)c1cccc(OC(F)(F)F)c1 ZINC000091466594 180164450 /nfs/dbraw/zinc/16/44/50/180164450.db2.gz FSVWLCARLNQMPQ-NSHDSACASA-N 1 0 261.243 2.371 10 0 CEAERO CCC[NH2+]CC[C@](C)(O)Cc1cccc(OC)c1 ZINC000091467785 180164471 /nfs/dbraw/zinc/16/44/71/180164471.db2.gz AFSRLIHTMYEHQQ-HNNXBMFYSA-N 1 0 251.370 2.378 10 0 CEAERO CCC[NH2+]CC[C@@](C)(O)c1ccc(OC)cc1OC ZINC000091470023 180164871 /nfs/dbraw/zinc/16/48/71/180164871.db2.gz XUJWHBUNUSDFQD-OAHLLOKOSA-N 1 0 267.369 2.301 10 0 CEAERO O[C@H](C[NH2+]C1CC1)Cc1ccn(C2CCCCC2)n1 ZINC000091470548 180164915 /nfs/dbraw/zinc/16/49/15/180164915.db2.gz FDBIRNKMPPHUFA-HNNXBMFYSA-N 1 0 263.385 2.044 10 0 CEAERO Cc1cc([C@H]2[C@H]([NH3+])CCC(=O)N2C)ccc1Br ZINC000091476128 180166353 /nfs/dbraw/zinc/16/63/53/180166353.db2.gz BUODJWXZSIDFLS-YPMHNXCESA-N 1 0 297.196 2.378 10 0 CEAERO C[NH2+]C1CCC(NC(=O)C2C(C)(C)C2(C)C)CC1 ZINC000091482475 180167122 /nfs/dbraw/zinc/16/71/22/180167122.db2.gz VQZRWBDARLYENV-UHFFFAOYSA-N 1 0 252.402 2.315 10 0 CEAERO COCC[NH2+]CC[C@](C)(O)Cc1ccc(F)cc1Cl ZINC000091502927 180175210 /nfs/dbraw/zinc/17/52/10/180175210.db2.gz JKBJRUKSCIUXEU-AWEZNQCLSA-N 1 0 289.778 2.399 10 0 CEAERO CC1(C)C(C(=O)NC[C@H]2CCCC[C@H]2[NH3+])C1(C)C ZINC000091494724 180171198 /nfs/dbraw/zinc/17/11/98/180171198.db2.gz XHIQHZFOPIGYMK-GHMZBOCLSA-N 1 0 252.402 2.302 10 0 CEAERO C[C@@H](C[N@H+](C)CC1CC(O)C1)C(=O)c1ccccc1 ZINC000091499417 180174003 /nfs/dbraw/zinc/17/40/03/180174003.db2.gz KKMSFEMULOHERV-OPFPJEHXSA-N 1 0 261.365 2.208 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(Cc2ccc(N)c(Cl)c2)C1 ZINC000091392169 180144790 /nfs/dbraw/zinc/14/47/90/180144790.db2.gz DJLGHKGKHJFPHP-GFCCVEGCSA-N 1 0 267.804 2.448 10 0 CEAERO O=C(N[C@H](c1cccs1)C1CCCC1)C1C[NH2+]C1 ZINC000091395843 180146455 /nfs/dbraw/zinc/14/64/55/180146455.db2.gz OHYJHOPDTRQTSP-ZDUSSCGKSA-N 1 0 264.394 2.315 10 0 CEAERO CC[NH2+]Cc1cncc(N(C)[C@H](C)CC(C)C)n1 ZINC000091420766 180150511 /nfs/dbraw/zinc/15/05/11/180150511.db2.gz PGVWYXGRXJBVQN-GFCCVEGCSA-N 1 0 250.390 2.457 10 0 CEAERO CC(C)C[NH2+]Cc1cncc(-n2cc(Cl)cn2)n1 ZINC000091422416 180151347 /nfs/dbraw/zinc/15/13/47/180151347.db2.gz LTWBNPHGTPZHMG-UHFFFAOYSA-N 1 0 265.748 2.061 10 0 CEAERO CC[NH+](CC)[C@H]1CCN(c2c(N)c(C(C)C)nn2C)C1 ZINC000091557411 180190843 /nfs/dbraw/zinc/19/08/43/180190843.db2.gz IXLGVEIQZJWEIB-LBPRGKRZSA-N 1 0 279.432 2.046 10 0 CEAERO C[NH2+][C@@H](Cc1ncnn1C(C)C)C(C)(C)N1CCCCC1 ZINC000091565012 180193298 /nfs/dbraw/zinc/19/32/98/180193298.db2.gz KIIWVYVDCDQWBI-AWEZNQCLSA-N 1 0 293.459 2.254 10 0 CEAERO CC(C)([C@@H](O)C[C@H]1Cc2ccccc21)[NH+]1CCOCC1 ZINC000091565811 180193371 /nfs/dbraw/zinc/19/33/71/180193371.db2.gz RNXMVMSSASRFNQ-ZBFHGGJFSA-N 1 0 275.392 2.188 10 0 CEAERO CCc1ccc([C@H](O)C(C)(C)[NH+]2CCOCC2)cc1 ZINC000091565675 180193390 /nfs/dbraw/zinc/19/33/90/180193390.db2.gz KUONQJXFHWAQDN-HNNXBMFYSA-N 1 0 263.381 2.393 10 0 CEAERO CCCN1C(=O)C[C@H]([NH2+][C@H](C)c2ccccc2C)C1=O ZINC000105083382 186041309 /nfs/dbraw/zinc/04/13/09/186041309.db2.gz RSCFNJYLZBMHGQ-OCCSQVGLSA-N 1 0 274.364 2.183 10 0 CEAERO C[NH2+][C@H](c1ccc(OC)cc1)C(C)(C)N1CCOCC1 ZINC000091566427 180194190 /nfs/dbraw/zinc/19/41/90/180194190.db2.gz VGMIDQRISKSRGG-OAHLLOKOSA-N 1 0 278.396 2.067 10 0 CEAERO CCC[NH2+][C@H](c1ccco1)C(C)(C)N1CCOCC1 ZINC000091567141 180194931 /nfs/dbraw/zinc/19/49/31/180194931.db2.gz SPXODUXBHQWFTB-CQSZACIVSA-N 1 0 266.385 2.431 10 0 CEAERO CCC[NH2+][C@@H](CC1CCOCC1)C(C)(C)N1CCOCC1 ZINC000091567150 180195051 /nfs/dbraw/zinc/19/50/51/180195051.db2.gz HMNRLNIAHUUCSU-INIZCTEOSA-N 1 0 298.471 2.282 10 0 CEAERO CC[C@](C)([C@@H](Cc1nn(C)c2ccccc12)[NH2+]C)N(C)C ZINC000091570369 180195887 /nfs/dbraw/zinc/19/58/87/180195887.db2.gz FCBCZCKZAFVKGJ-IAGOWNOFSA-N 1 0 288.439 2.434 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@H](N)c1cc(C)cnc1N ZINC000091573609 180196211 /nfs/dbraw/zinc/19/62/11/180196211.db2.gz ONAAZFXFGVKSND-UKRRQHHQSA-N 1 0 264.417 2.483 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@@H](O)Cc1cc(C)nn1C ZINC000091573046 180196228 /nfs/dbraw/zinc/19/62/28/180196228.db2.gz ZDFUWBRKUBEJSS-GJZGRUSLSA-N 1 0 267.417 2.142 10 0 CEAERO CCC[NH2+][C@@H](Cc1ncnn1CCC)[C@](C)(CC)N(C)C ZINC000091572202 180196517 /nfs/dbraw/zinc/19/65/17/180196517.db2.gz QGLHIAVRJJSVIB-HOCLYGCPSA-N 1 0 295.475 2.329 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@@H](O)c1cnccc1N ZINC000091573399 180196652 /nfs/dbraw/zinc/19/66/52/180196652.db2.gz DQNPETYIBCGXRP-UONOGXRCSA-N 1 0 251.374 2.208 10 0 CEAERO CC(C)N1C(=O)C[C@H]([NH2+][C@H](C)c2cccc(F)c2)C1=O ZINC000105088437 186041930 /nfs/dbraw/zinc/04/19/30/186041930.db2.gz PCVXSKTVAOIDQM-MFKMUULPSA-N 1 0 278.327 2.012 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@H](NC)c1nccn1C ZINC000091599369 180202399 /nfs/dbraw/zinc/20/23/99/180202399.db2.gz XNMCTUSIGWCWMM-TZMCWYRMSA-N 1 0 252.406 2.191 10 0 CEAERO CC[C@@](C)([C@H](NC)c1ccnn1C)[NH+]1CCCCC1 ZINC000091609865 180205350 /nfs/dbraw/zinc/20/53/50/180205350.db2.gz GAYIBFIVBWQTLI-CABCVRRESA-N 1 0 264.417 2.335 10 0 CEAERO CC[C@@](C)([C@H](O)c1cccnc1N)[NH+]1CCCCC1 ZINC000091608549 180205363 /nfs/dbraw/zinc/20/53/63/180205363.db2.gz UFJUXUAOFKVLDS-HIFRSBDPSA-N 1 0 263.385 2.352 10 0 CEAERO CC[C@@](C)([C@H](Cc1cnccc1N)[NH2+]C)N1CCCCC1 ZINC000091609683 180205797 /nfs/dbraw/zinc/20/57/97/180205797.db2.gz XSKMDPSOOPTRCT-IRXDYDNUSA-N 1 0 290.455 2.449 10 0 CEAERO CC[C@@](C)([C@@H]([NH3+])CC1CCCC1)N1CCOCC1 ZINC000091611611 180206633 /nfs/dbraw/zinc/20/66/33/180206633.db2.gz WLNAXGONAZTIPD-GJZGRUSLSA-N 1 0 254.418 2.395 10 0 CEAERO CC[C@](C)([C@H]([NH3+])C1CCCCC1)N1CCOCC1 ZINC000091611850 180206636 /nfs/dbraw/zinc/20/66/36/180206636.db2.gz NJMUMDIROUTINL-HUUCEWRRSA-N 1 0 254.418 2.395 10 0 CEAERO CC[NH2+][C@H](c1ccnn1CC)[C@](C)(CC)N1CCOCC1 ZINC000091612785 180207087 /nfs/dbraw/zinc/20/70/87/180207087.db2.gz SJEDEGIJKMAENT-CVEARBPZSA-N 1 0 294.443 2.055 10 0 CEAERO CC[C@@](C)([C@@H]([NH2+]C)c1ccoc1)N1CCOCC1 ZINC000091612631 180207402 /nfs/dbraw/zinc/20/74/02/180207402.db2.gz XPJYHSHDDHTVSS-KBPBESRZSA-N 1 0 252.358 2.041 10 0 CEAERO CC[C@](C)([C@@H]([NH3+])CCC[C@@H]1CCCO1)N1CCOCC1 ZINC000091612124 180207476 /nfs/dbraw/zinc/20/74/76/180207476.db2.gz KTIQCSNIRRBWSN-OWCLPIDISA-N 1 0 284.444 2.164 10 0 CEAERO CC[C@](C)([C@@H]([NH2+]C)c1cnccc1C)N1CCOCC1 ZINC000091612604 180207551 /nfs/dbraw/zinc/20/75/51/180207551.db2.gz IRFVFBCRHZYPMD-JKSUJKDBSA-N 1 0 277.412 2.151 10 0 CEAERO CC[NH2+][C@@H](c1ccnn1C)C(CC)(CC)N(C)C ZINC000091614803 180208057 /nfs/dbraw/zinc/20/80/57/180208057.db2.gz CTAFZMJTUHRAOV-ZDUSSCGKSA-N 1 0 252.406 2.191 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)Nc1cc(C)cc(F)c1 ZINC000091513908 180176664 /nfs/dbraw/zinc/17/66/64/180176664.db2.gz XAALQTVIHPBAMF-KGLIPLIRSA-N 1 0 280.343 2.087 10 0 CEAERO C[C@](O)(C[NH3+])Cc1nc2cc(Cl)ccc2n1C1CC1 ZINC000091523595 180178038 /nfs/dbraw/zinc/17/80/38/180178038.db2.gz ZRVCFVMWBWMLED-CQSZACIVSA-N 1 0 279.771 2.277 10 0 CEAERO COCC[NH2+]CC[C@@](C)(O)Cc1cccc(Cl)c1 ZINC000091520646 180178152 /nfs/dbraw/zinc/17/81/52/180178152.db2.gz QACDTGREVIDZAY-CQSZACIVSA-N 1 0 271.788 2.260 10 0 CEAERO C[C@@](O)(C[NH3+])Cc1nc2ccccc2n1-c1ccccc1 ZINC000091521187 180178299 /nfs/dbraw/zinc/17/82/99/180178299.db2.gz XDFLMXRPGHFBQZ-KRWDZBQOSA-N 1 0 281.359 2.278 10 0 CEAERO CCc1cc(C[C@](C)(O)CC[NH2+]C(C)(C)C)n(C)n1 ZINC000091522262 180178447 /nfs/dbraw/zinc/17/84/47/180178447.db2.gz XESHTXUQTWPAFC-OAHLLOKOSA-N 1 0 267.417 2.054 10 0 CEAERO CCn1nc(C[C@@H](O)C(C)(C)[NH+](C)C)c2ccccc21 ZINC000091528150 180180057 /nfs/dbraw/zinc/18/00/57/180180057.db2.gz CSVNRFPUXWNMJA-OAHLLOKOSA-N 1 0 275.396 2.300 10 0 CEAERO C[NH2+][C@@H](Cc1ccn(C2CCCC2)n1)C(C)(C)N(C)C ZINC000091528616 180180445 /nfs/dbraw/zinc/18/04/45/180180445.db2.gz AOZDTWILOZBWQH-HNNXBMFYSA-N 1 0 278.444 2.469 10 0 CEAERO CCCn1nccc1[C@H]([NH2+]CC)C(C)(C)N(C)C ZINC000091529022 180180500 /nfs/dbraw/zinc/18/05/00/180180500.db2.gz VCNBMGCFUNFNBD-ZDUSSCGKSA-N 1 0 252.406 2.284 10 0 CEAERO CCC[NH2+][C@H](c1cc(C)cnc1N)C(C)(C)N(C)C ZINC000091529351 180180617 /nfs/dbraw/zinc/18/06/17/180180617.db2.gz FZEFMYMHGDRWDK-CYBMUJFWSA-N 1 0 264.417 2.353 10 0 CEAERO CCCn1cc([C@H](O)C(C)(C)[NH+]2CCCC2)cn1 ZINC000091533384 180181347 /nfs/dbraw/zinc/18/13/47/180181347.db2.gz CAQCJLUMAQLMNC-ZDUSSCGKSA-N 1 0 251.374 2.201 10 0 CEAERO Cc1nn(C)c(C[C@@H]([NH3+])C(C)(C)N2CCCC2)c1Cl ZINC000091533701 180181525 /nfs/dbraw/zinc/18/15/25/180181525.db2.gz OICXFGFKSALRQK-GFCCVEGCSA-N 1 0 284.835 2.126 10 0 CEAERO CCn1nc(C)cc1CC(=O)C(C)(C)[NH+]1CCCC1 ZINC000091532658 180181564 /nfs/dbraw/zinc/18/15/64/180181564.db2.gz JMUJVHMLAANRIH-UHFFFAOYSA-N 1 0 263.385 2.197 10 0 CEAERO CC(C)CN(CC(F)(F)F)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091539447 180182868 /nfs/dbraw/zinc/18/28/68/180182868.db2.gz ZNTYSNSJQVDZCX-NXEZZACHSA-N 1 0 266.307 2.161 10 0 CEAERO CCc1nc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)sc1C ZINC000091543340 180185187 /nfs/dbraw/zinc/18/51/87/180185187.db2.gz WCTZVZYPCKKBNJ-RKDXNWHRSA-N 1 0 253.371 2.080 10 0 CEAERO [NH3+][C@H]1CC[C@H](C(=O)Nc2cc(F)c(F)c(F)c2)C1 ZINC000091546044 180186871 /nfs/dbraw/zinc/18/68/71/180186871.db2.gz BFTYCZFCUZXGNA-BQBZGAKWSA-N 1 0 258.243 2.170 10 0 CEAERO Cc1cc(CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)sc1C ZINC000091549144 180188297 /nfs/dbraw/zinc/18/82/97/180188297.db2.gz BCYCSRXSNPUEJA-MNOVXSKESA-N 1 0 252.383 2.109 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CC=C(c3ccccc3)CC2)C1 ZINC000091548972 180188448 /nfs/dbraw/zinc/18/84/48/180188448.db2.gz VGDLENOBOJEDAD-HZPDHXFCSA-N 1 0 270.376 2.430 10 0 CEAERO CCn1cc(C[C@H](O)C(CC)(CC)[NH+]2CCCC2)cn1 ZINC000091634453 180210409 /nfs/dbraw/zinc/21/04/09/180210409.db2.gz JGMOCQGHLHDUII-HNNXBMFYSA-N 1 0 279.428 2.461 10 0 CEAERO C[NH+](C)C1([C@H](O)c2cc(Cl)cnc2N)CCCC1 ZINC000091636416 180211232 /nfs/dbraw/zinc/21/12/32/180211232.db2.gz ZAGVDAKSPNAFOL-LLVKDONJSA-N 1 0 269.776 2.225 10 0 CEAERO Cn1nc(C[C@H](O)C2([NH+](C)C)CCCC2)c2ccccc21 ZINC000091636650 180211257 /nfs/dbraw/zinc/21/12/57/180211257.db2.gz PDSZXKVQHBSYLV-INIZCTEOSA-N 1 0 287.407 2.351 10 0 CEAERO CCC(CC)([C@H](O)Cc1cccnc1N)[NH+]1CCCC1 ZINC000091634586 180211501 /nfs/dbraw/zinc/21/15/01/180211501.db2.gz SVOJQIHVFQQATL-CQSZACIVSA-N 1 0 277.412 2.222 10 0 CEAERO COc1ccccc1C[C@@H](O)C1([NH+](C)C)CCCC1 ZINC000091636758 180211702 /nfs/dbraw/zinc/21/17/02/180211702.db2.gz QPGSORIZCLEIOL-OAHLLOKOSA-N 1 0 263.381 2.473 10 0 CEAERO CC[NH+](CC)C1([C@@H](N)Cc2ccnc(N)c2)CCCC1 ZINC000091639093 180212572 /nfs/dbraw/zinc/21/25/72/180212572.db2.gz OMTGAJQZRVMZDJ-AWEZNQCLSA-N 1 0 276.428 2.188 10 0 CEAERO CCC[NH2+][C@@H](c1cnn(C)c1)C1(N(C)C)CCCC1 ZINC000091638397 180212695 /nfs/dbraw/zinc/21/26/95/180212695.db2.gz CACWEAJVIOZHAG-AWEZNQCLSA-N 1 0 264.417 2.335 10 0 CEAERO O[C@H](c1cncnc1)C1([NH+]2CCCCC2)CCCC1 ZINC000091641651 180212914 /nfs/dbraw/zinc/21/29/14/180212914.db2.gz SZXGOHBGAZGVIV-CQSZACIVSA-N 1 0 261.369 2.309 10 0 CEAERO N[C@H](c1cnccn1)C1([NH+]2CCCCC2)CCCC1 ZINC000091641852 180213192 /nfs/dbraw/zinc/21/31/92/180213192.db2.gz JYHTVLZYVGNYTG-CQSZACIVSA-N 1 0 260.385 2.275 10 0 CEAERO C[NH2+][C@@H](Cc1cc(C)nn1C)C1(N2CCCC2)CCCC1 ZINC000091640991 180213496 /nfs/dbraw/zinc/21/34/96/180213496.db2.gz VLGNIJGYUREKNS-INIZCTEOSA-N 1 0 290.455 2.268 10 0 CEAERO [NH3+][C@H](c1cccc(F)c1)C1(N2CCOCC2)CCCC1 ZINC000091642984 180214226 /nfs/dbraw/zinc/21/42/26/180214226.db2.gz LLSFIFSTNAQOIE-OAHLLOKOSA-N 1 0 278.371 2.471 10 0 CEAERO CCN[C@H](c1nccn1C)C1([NH+](C)C)CCCCC1 ZINC000091647801 180215825 /nfs/dbraw/zinc/21/58/25/180215825.db2.gz SLTUBSXJAARSAI-CYBMUJFWSA-N 1 0 264.417 2.335 10 0 CEAERO C[NH2+][C@H](Cc1ccnc(N)c1)[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC000091652578 180216867 /nfs/dbraw/zinc/21/68/67/180216867.db2.gz UKOXKACAUGUAMP-UNEWFSDZSA-N 1 0 290.455 2.305 10 0 CEAERO C[NH2+][C@H](c1cnccc1N)[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC000091652669 180216919 /nfs/dbraw/zinc/21/69/19/180216919.db2.gz CSHNNMYIQNIXMK-WQVCFCJDSA-N 1 0 276.428 2.435 10 0 CEAERO C[NH2+][C@@H](Cc1cnn(C)c1)C1(N(C)C)CCCCCC1 ZINC000091654436 180217158 /nfs/dbraw/zinc/21/71/58/180217158.db2.gz DMKJLJJKZPAEAS-HNNXBMFYSA-N 1 0 278.444 2.205 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2nc(Cl)ncc2F)C1 ZINC000091655368 180217200 /nfs/dbraw/zinc/21/72/00/180217200.db2.gz APKBETBPYSVRIP-MRVPVSSYSA-N 1 0 258.728 2.165 10 0 CEAERO Cn1nccc1[C@H](N)C1([NH+](C)C)CCCCCC1 ZINC000091654215 180217418 /nfs/dbraw/zinc/21/74/18/180217418.db2.gz HZILZUBBAIJQGO-ZDUSSCGKSA-N 1 0 250.390 2.075 10 0 CEAERO Nc1cccc(Cl)c1NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091662648 180219615 /nfs/dbraw/zinc/21/96/15/180219615.db2.gz NTMCVWYJHZEAAI-MNOVXSKESA-N 1 0 281.787 2.197 10 0 CEAERO CN1CCO[C@H](C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000091666789 180222647 /nfs/dbraw/zinc/22/26/47/180222647.db2.gz PJRFBFWLIYTPHJ-HZPDHXFCSA-N 1 0 278.371 2.197 10 0 CEAERO CCOc1ccc(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000091714053 180231755 /nfs/dbraw/zinc/23/17/55/180231755.db2.gz UIYXNWVBFJSDLE-HIFRSBDPSA-N 1 0 275.348 2.131 10 0 CEAERO C[NH2+][C@H](c1ccc(C(C)C)cc1)[C@H]1CN(C)CCO1 ZINC000091717733 180232205 /nfs/dbraw/zinc/23/22/05/180232205.db2.gz HXCBFCXERNBILJ-HZPDHXFCSA-N 1 0 262.397 2.401 10 0 CEAERO CC[NH2+][C@H](c1cnc2ccccc2c1)[C@H]1CN(C)CCO1 ZINC000091718669 180233307 /nfs/dbraw/zinc/23/33/07/180233307.db2.gz IUVUAQWRCYMGGX-IAGOWNOFSA-N 1 0 285.391 2.216 10 0 CEAERO CCC[NH2+][C@H](Cc1ccccc1F)[C@@H]1CN(C)CCO1 ZINC000091718923 180233325 /nfs/dbraw/zinc/23/33/25/180233325.db2.gz FHSWFFJELKHTDM-CVEARBPZSA-N 1 0 280.387 2.067 10 0 CEAERO CCC[NH2+][C@@H](c1ccccc1C)[C@@H]1CN(C)CCO1 ZINC000091718934 180233511 /nfs/dbraw/zinc/23/35/11/180233511.db2.gz NPXKSYLMOPMWAB-HOTGVXAUSA-N 1 0 262.397 2.366 10 0 CEAERO CCC[NH2+][C@H](c1ccc(OC)c(F)c1)[C@H]1CN(C)CCO1 ZINC000091719521 180234557 /nfs/dbraw/zinc/23/45/57/180234557.db2.gz HJCCAQZMLDZTMR-HZPDHXFCSA-N 1 0 296.386 2.206 10 0 CEAERO Cc1ccc([C@H]([NH3+])[C@H]2CN3CCC[C@@H]3CO2)c(C)c1 ZINC000091720176 180236008 /nfs/dbraw/zinc/23/60/08/180236008.db2.gz KMLFCJWRNVPJEJ-BMFZPTHFSA-N 1 0 260.381 2.166 10 0 CEAERO [NH3+][C@H](Cc1c(F)cccc1Cl)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091720472 180236651 /nfs/dbraw/zinc/23/66/51/180236651.db2.gz ZWTVDZGFWTWMPB-VCTAVGKDSA-N 1 0 298.789 2.212 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1ccccc1Cl ZINC000624235437 350239571 /nfs/dbraw/zinc/23/95/71/350239571.db2.gz KHXTVOQVMMXNGM-BIMULSAOSA-N 1 0 255.745 2.140 10 0 CEAERO Cc1cccc(CC[C@H](C)[NH2+][C@H]2CCOC[C@H]2O)c1 ZINC000624236670 350240590 /nfs/dbraw/zinc/24/05/90/350240590.db2.gz HRPKKSWSAGNQRL-CWRNSKLLSA-N 1 0 263.381 2.056 10 0 CEAERO C[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1ccc(Cl)c(F)c1 ZINC000624238164 350241136 /nfs/dbraw/zinc/24/11/36/350241136.db2.gz LRZWZZDWZCSGOO-AQUOVQTQSA-N 1 0 273.735 2.280 10 0 CEAERO CC[NH2+][C@H](c1ccccc1OC)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721585 180238646 /nfs/dbraw/zinc/23/86/46/180238646.db2.gz RBGIWZZOPKUQDI-XOKHGSTOSA-N 1 0 290.407 2.209 10 0 CEAERO CCc1ccc(C(=O)Nc2ccccc2OCC[NH3+])o1 ZINC000091759197 180247568 /nfs/dbraw/zinc/24/75/68/180247568.db2.gz XPJUBEWGUXQJBR-UHFFFAOYSA-N 1 0 274.320 2.432 10 0 CEAERO CCC[NH2+]Cc1cnc([C@H]2CN3CCC[C@@H]3CO2)s1 ZINC000091722439 180240564 /nfs/dbraw/zinc/24/05/64/180240564.db2.gz GLNJQJNCIYGBEP-DGCLKSJQSA-N 1 0 281.425 2.178 10 0 CEAERO Cc1cc(C)c(C[NH2+]C[C@@H]2CN(C)CCO2)cc1C ZINC000105472424 186058802 /nfs/dbraw/zinc/05/88/02/186058802.db2.gz RPDXFXFLOWVURF-MRXNPFEDSA-N 1 0 262.397 2.032 10 0 CEAERO CCCN(C(=O)[C@H]1CCCS1)C1CCC([NH3+])CC1 ZINC000091852074 180272853 /nfs/dbraw/zinc/27/28/53/180272853.db2.gz CRUGIZFENBOEJB-WXRRBKDZSA-N 1 0 270.442 2.391 10 0 CEAERO CCCN(C(=O)C1CC=CC1)C1CCC([NH3+])CC1 ZINC000091852022 180273113 /nfs/dbraw/zinc/27/31/13/180273113.db2.gz KJKWSYKMYDDLKS-UHFFFAOYSA-N 1 0 250.386 2.461 10 0 CEAERO C[C@H](C(=O)NC1CCCCC1)[N@H+](C)C1CCC(=O)CC1 ZINC000091854086 180273928 /nfs/dbraw/zinc/27/39/28/180273928.db2.gz NBZREIAYLZVFAF-GFCCVEGCSA-N 1 0 280.412 2.267 10 0 CEAERO CCC[NH2+][C@H](C)c1cccn1CCC(=O)NC1CC1 ZINC000091802615 180259649 /nfs/dbraw/zinc/25/96/49/180259649.db2.gz ILTOYWOXGDXGSN-GFCCVEGCSA-N 1 0 263.385 2.217 10 0 CEAERO CC[NH2+][C@H](C)c1cccn1CCCC(=O)N(C)C ZINC000091802279 180259979 /nfs/dbraw/zinc/25/99/79/180259979.db2.gz ULQFVIQMIZGVFT-GFCCVEGCSA-N 1 0 251.374 2.027 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccn(CC(=O)NCC(F)(F)F)c1 ZINC000091806412 180260425 /nfs/dbraw/zinc/26/04/25/180260425.db2.gz GYAVGXLLIGLXEA-JTQLQIEISA-N 1 0 291.317 2.227 10 0 CEAERO CCC[NH2+][C@H](C)c1ccn(CC(=O)N(C)C(C)C)c1 ZINC000091806244 180260854 /nfs/dbraw/zinc/26/08/54/180260854.db2.gz GXPFLIHZUBMULF-CYBMUJFWSA-N 1 0 265.401 2.416 10 0 CEAERO CC[C@@H]([NH3+])c1ccn(Cc2nc3ccccc3c(=O)[nH]2)c1 ZINC000091816456 180261325 /nfs/dbraw/zinc/26/13/25/180261325.db2.gz UKQWXJKHUMEEOB-CYBMUJFWSA-N 1 0 282.347 2.183 10 0 CEAERO CCC[NH2+][C@@H](CC)c1ccn(CC(=O)N[C@H](C)COC)c1 ZINC000091818323 180263039 /nfs/dbraw/zinc/26/30/39/180263039.db2.gz ITPLSAZGECMZOI-HIFRSBDPSA-N 1 0 295.427 2.090 10 0 CEAERO CC[NH2+][C@H](CC)c1ccn(CCCS(=O)(=O)CC)c1 ZINC000091817499 180263112 /nfs/dbraw/zinc/26/31/12/180263112.db2.gz MGLDOCMJHRYDIY-CQSZACIVSA-N 1 0 286.441 2.374 10 0 CEAERO CC[NH2+][C@H](CC)c1ccn(CCC(=O)NC(C)C)c1 ZINC000091817086 180263264 /nfs/dbraw/zinc/26/32/64/180263264.db2.gz RFCFDVAVDUWLOE-CQSZACIVSA-N 1 0 265.401 2.463 10 0 CEAERO CCC[C@H]([NH2+]CC)c1ccn(CCCC(=O)NC)c1 ZINC000091822788 180264091 /nfs/dbraw/zinc/26/40/91/180264091.db2.gz RPCHCTUYABZJAL-AWEZNQCLSA-N 1 0 265.401 2.465 10 0 CEAERO CCC[C@@H]([NH2+]CC)c1ccn(CCC(=O)N(C)C)c1 ZINC000091822741 180264114 /nfs/dbraw/zinc/26/41/14/180264114.db2.gz KFWSHHTVJZGIET-CQSZACIVSA-N 1 0 265.401 2.417 10 0 CEAERO CCC[C@H]([NH2+]CC)c1ccn(CCS(=O)(=O)CC)c1 ZINC000091822908 180264195 /nfs/dbraw/zinc/26/41/95/180264195.db2.gz BJFAGRHTEJDMQS-AWEZNQCLSA-N 1 0 286.441 2.374 10 0 CEAERO CCN(C(=O)c1cccc(OC)c1O)C1CCC([NH3+])CC1 ZINC000091850391 180271912 /nfs/dbraw/zinc/27/19/12/180271912.db2.gz FHDBNYAYTFWPKM-UHFFFAOYSA-N 1 0 292.379 2.133 10 0 CEAERO CN(CC[C@H]1CCCC[NH2+]1)C(=O)N1CCCCCC1 ZINC000091971189 180295100 /nfs/dbraw/zinc/29/51/00/180295100.db2.gz OMRJHOVQMPKTPD-CQSZACIVSA-N 1 0 267.417 2.446 10 0 CEAERO CC1CCC(C[NH3+])(C2(O)CCC3(CC2)OCCO3)CC1 ZINC000091924490 180287612 /nfs/dbraw/zinc/28/76/12/180287612.db2.gz HAFQBCXOWITXLQ-UHFFFAOYSA-N 1 0 283.412 2.190 10 0 CEAERO COC(C[C@@](C)(O)C1(C[NH3+])CCCCCC1)OC ZINC000091925758 180287670 /nfs/dbraw/zinc/28/76/70/180287670.db2.gz MXFIKTFJCAMMRB-CYBMUJFWSA-N 1 0 259.390 2.046 10 0 CEAERO COCC[NH2+]Cc1ncoc1-c1cccc(F)c1F ZINC000091959434 180292241 /nfs/dbraw/zinc/29/22/41/180292241.db2.gz MFPKOCLPKPAEPP-UHFFFAOYSA-N 1 0 268.263 2.356 10 0 CEAERO COc1ccccc1N(CCC[NH3+])C(=O)N1CCCCC1 ZINC000091969020 180294457 /nfs/dbraw/zinc/29/44/57/180294457.db2.gz PDJGGNCOCUEOTQ-UHFFFAOYSA-N 1 0 291.395 2.456 10 0 CEAERO C[NH2+]C1CCC(Nc2cncc(OC(C)C)n2)CC1 ZINC000091873357 180278167 /nfs/dbraw/zinc/27/81/67/180278167.db2.gz BBMZRMWMZFQMDH-UHFFFAOYSA-N 1 0 264.373 2.206 10 0 CEAERO CCOC(=O)c1ccc(N(C)C2CCC([NH2+]C)CC2)nc1 ZINC000091873692 180279057 /nfs/dbraw/zinc/27/90/57/180279057.db2.gz JTFAPNICNKPINF-UHFFFAOYSA-N 1 0 291.395 2.225 10 0 CEAERO C[C@](O)(c1ccccc1)[C@@]1(C[NH3+])COc2ccccc2C1 ZINC000091905427 180283781 /nfs/dbraw/zinc/28/37/81/180283781.db2.gz HOGLBPMBCAUERF-ROUUACIJSA-N 1 0 283.371 2.474 10 0 CEAERO CC(C)(C[NH3+])[C@@H](O)c1cc2c(c(Cl)c1)OCO2 ZINC000091909948 180284539 /nfs/dbraw/zinc/28/45/39/180284539.db2.gz KCTXYQWIVFGCEF-NSHDSACASA-N 1 0 257.717 2.087 10 0 CEAERO [NH3+]CC1([C@H](O)c2cnn(-c3ccccc3)c2)CCC1 ZINC000091909386 180284629 /nfs/dbraw/zinc/28/46/29/180284629.db2.gz KSTNGWSIXZEZIP-CQSZACIVSA-N 1 0 257.337 2.035 10 0 CEAERO [NH3+]CC1([C@H](O)c2ccccc2OC(F)F)CCOCC1 ZINC000091909048 180284855 /nfs/dbraw/zinc/28/48/55/180284855.db2.gz VMOQRXYUTQMMIN-GFCCVEGCSA-N 1 0 287.306 2.077 10 0 CEAERO [NH3+]C[C@]1([C@H](O)c2cccnc2)CCCc2ccccc21 ZINC000091910122 180285402 /nfs/dbraw/zinc/28/54/02/180285402.db2.gz XQRDAWVSKWXMJE-IAGOWNOFSA-N 1 0 268.360 2.348 10 0 CEAERO CCCN(C(=O)N1CCOCC1)[C@@]1(C[NH3+])CCC[C@H](C)C1 ZINC000091970133 180295071 /nfs/dbraw/zinc/29/50/71/180295071.db2.gz UUKXQASGSHLGIH-HOCLYGCPSA-N 1 0 297.443 2.058 10 0 CEAERO [NH3+]C[C@]1([C@@H](O)Cc2ccccc2)CCc2ccccc21 ZINC000091914002 180285928 /nfs/dbraw/zinc/28/59/28/180285928.db2.gz LJXCZTYXKIRPTR-ZWKOTPCHSA-N 1 0 267.372 2.433 10 0 CEAERO CC[C@H]1C[C@](O)(C2(C[NH3+])CCC(C)CC2)CCO1 ZINC000091918637 180286656 /nfs/dbraw/zinc/28/66/56/180286656.db2.gz VMDAIICZIONACC-SHWKFHJASA-N 1 0 255.402 2.462 10 0 CEAERO Cc1ccsc1[C@](C)(O)C1(C[NH3+])CCOCC1 ZINC000091918303 180286778 /nfs/dbraw/zinc/28/67/78/180286778.db2.gz SRQNFGCAHICKTA-LBPRGKRZSA-N 1 0 255.383 2.020 10 0 CEAERO CCn1cncc1[C@H](O)[C@@]1(C[NH3+])CCc2ccccc2C1 ZINC000091926156 180287219 /nfs/dbraw/zinc/28/72/19/180287219.db2.gz XKWZOHRIMCNPQC-IRXDYDNUSA-N 1 0 285.391 2.070 10 0 CEAERO CCN1CCO[C@H](COC2(C[NH3+])CCC(C(C)C)CC2)C1 ZINC000092050597 180311735 /nfs/dbraw/zinc/31/17/35/180311735.db2.gz XKSSBPBIMPVTGW-CGZBRXJRSA-N 1 0 298.471 2.267 10 0 CEAERO CC[C@@H]([NH3+])c1ccc(OC[C@@H]2CN(CC)CCO2)cc1 ZINC000092050957 180311984 /nfs/dbraw/zinc/31/19/84/180311984.db2.gz KKLQBGXEBGMOQB-JKSUJKDBSA-N 1 0 278.396 2.196 10 0 CEAERO CC[C@H]([NH3+])c1ccc(OC[C@H]2CN(CC)CCO2)cc1 ZINC000092050959 180312123 /nfs/dbraw/zinc/31/21/23/180312123.db2.gz KKLQBGXEBGMOQB-CVEARBPZSA-N 1 0 278.396 2.196 10 0 CEAERO CCN1CCO[C@H](COc2ccc3c(c2)CCC[C@@H]3[NH3+])C1 ZINC000092051230 180312719 /nfs/dbraw/zinc/31/27/19/180312719.db2.gz JUKBVBJBCFOWCR-RDJZCZTQSA-N 1 0 290.407 2.122 10 0 CEAERO C[C@@H]1CCC[C@@H](CC[NH2+]C[C@@H]2CN(C)CCO2)C1 ZINC000092055971 180313737 /nfs/dbraw/zinc/31/37/37/180313737.db2.gz MGIBWDHRNBPEQS-QLFBSQMISA-N 1 0 254.418 2.123 10 0 CEAERO CC(C)C[NH2+]Cc1ccccc1OC[C@H]1CN(C)CCO1 ZINC000092054518 180313756 /nfs/dbraw/zinc/31/37/56/180313756.db2.gz WIAXHGKTLHIAMK-MRXNPFEDSA-N 1 0 292.423 2.142 10 0 CEAERO CN(C(=O)N1CCCCCC1)[C@H]1CCCC[C@H]1C[NH3+] ZINC000091971712 180295553 /nfs/dbraw/zinc/29/55/53/180295553.db2.gz FUYCKJZOZKCHRS-KBPBESRZSA-N 1 0 267.417 2.432 10 0 CEAERO C[C@@H]1CCCN(C(=O)N2CCCCCC2)[C@@H]1C[NH3+] ZINC000091971658 180295569 /nfs/dbraw/zinc/29/55/69/180295569.db2.gz SQILUBUBGCEIOA-CHWSQXEVSA-N 1 0 253.390 2.042 10 0 CEAERO CC1CCN(C(=O)N2CCC[C@@H]2[C@@H]2CCC[NH2+]C2)CC1 ZINC000091973188 180296431 /nfs/dbraw/zinc/29/64/31/180296431.db2.gz DRVCNEGRWHJDRM-HUUCEWRRSA-N 1 0 279.428 2.302 10 0 CEAERO C[C@@H](c1ccncc1)[N@H+](C)C[C@H](O)COC(C)(C)C ZINC000091986630 180298173 /nfs/dbraw/zinc/29/81/73/180298173.db2.gz GNSRSKCKACCXKK-JSGCOSHPSA-N 1 0 266.385 2.250 10 0 CEAERO CC(C)c1ccccc1NC(=O)CSC(N)=[NH2+] ZINC000105651145 186067345 /nfs/dbraw/zinc/06/73/45/186067345.db2.gz KPGMBJIXGQCHCP-UHFFFAOYSA-N 1 0 251.355 2.375 10 0 CEAERO CCCCNC(=O)[C@@H](C)Oc1ccc(C)nc1C[NH2+]CC ZINC000091994877 180301000 /nfs/dbraw/zinc/30/10/00/180301000.db2.gz QKXMZYVZAIPVQD-CYBMUJFWSA-N 1 0 293.411 2.183 10 0 CEAERO C[NH2+]Cc1nc(C)ccc1OCCOCC(F)(F)F ZINC000091994364 180301481 /nfs/dbraw/zinc/30/14/81/180301481.db2.gz GEZCHWPHYASPHN-UHFFFAOYSA-N 1 0 278.274 2.067 10 0 CEAERO COC(=O)[C@H](C)Oc1ccc(C)nc1C[NH2+]C(C)(C)C ZINC000091996241 180301734 /nfs/dbraw/zinc/30/17/34/180301734.db2.gz BVLQQRKBGJKEKD-NSHDSACASA-N 1 0 280.368 2.218 10 0 CEAERO Cc1ccc(O)c(C[NH2+]C2(CO)CCC(C)CC2)n1 ZINC000091995314 180301950 /nfs/dbraw/zinc/30/19/50/180301950.db2.gz LBBYRZQYZVFJGE-UHFFFAOYSA-N 1 0 264.369 2.126 10 0 CEAERO Cc1noc(C)c1COc1ccc(C)nc1C[C@H](C)[NH3+] ZINC000091999971 180303911 /nfs/dbraw/zinc/30/39/11/180303911.db2.gz WPGDHAPZQACKPO-VIFPVBQESA-N 1 0 275.352 2.464 10 0 CEAERO Cc1cc(NC[C@@H]2Cc3ccccc3O2)[nH+]cc1N ZINC000092027259 180308316 /nfs/dbraw/zinc/30/83/16/180308316.db2.gz IESFKXGHLLWERV-LBPRGKRZSA-N 1 0 255.321 2.388 10 0 CEAERO CCCC[C@@H](C)NS(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092116057 180327137 /nfs/dbraw/zinc/32/71/37/180327137.db2.gz IXQSUVFMDIHJKZ-SNVBAGLBSA-N 1 0 288.388 2.141 10 0 CEAERO CC[C@@H](C)N(CC)S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092115644 180327282 /nfs/dbraw/zinc/32/72/82/180327282.db2.gz WXMGLYZPDMUSKH-SNVBAGLBSA-N 1 0 288.388 2.094 10 0 CEAERO Fc1cccc(C[N@@H+]2CCCN(c3cccnn3)CC2)c1 ZINC000105798759 186071853 /nfs/dbraw/zinc/07/18/53/186071853.db2.gz ZCEDRDQLNVZWKG-UHFFFAOYSA-N 1 0 286.354 2.328 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000092132724 180330545 /nfs/dbraw/zinc/33/05/45/180330545.db2.gz GIRQADVGFMZXGB-MRVPVSSYSA-N 1 0 258.268 2.082 10 0 CEAERO C[NH2+][C@H](c1ccc2c(c1)OCCO2)C(C)(C)OC ZINC000092138972 180333587 /nfs/dbraw/zinc/33/35/87/180333587.db2.gz PFJHKMUYCUEZBW-CYBMUJFWSA-N 1 0 251.326 2.143 10 0 CEAERO CC[C@@H](C)n1ccc(C[C@@H]([NH2+]C)C(C)(C)OC)n1 ZINC000092138866 180333611 /nfs/dbraw/zinc/33/36/11/180333611.db2.gz DXQMTSPKPPJCQQ-DGCLKSJQSA-N 1 0 253.390 2.410 10 0 CEAERO COC(C)(C)[C@H]([NH3+])Cc1ccn(C2CCCC2)n1 ZINC000092138625 180333641 /nfs/dbraw/zinc/33/36/41/180333641.db2.gz DARIZMZBSOQRJZ-CYBMUJFWSA-N 1 0 251.374 2.293 10 0 CEAERO CCC[NH2+][C@H](C)CCc1nc(C(C)(C)OC)no1 ZINC000092141455 180334179 /nfs/dbraw/zinc/33/41/79/180334179.db2.gz JFWNAGJDHGPONW-SNVBAGLBSA-N 1 0 255.362 2.272 10 0 CEAERO CC(C)Cn1c2ccc(C[NH3+])cc2nc1CC[C@H](C)O ZINC000092150879 180334841 /nfs/dbraw/zinc/33/48/41/180334841.db2.gz RRXKKEVRIDVSQG-LBPRGKRZSA-N 1 0 275.396 2.464 10 0 CEAERO C[C@H]1C[N@H+](CCOc2cccc(C(N)=S)c2)C[C@H]1C ZINC000092085442 180320678 /nfs/dbraw/zinc/32/06/78/180320678.db2.gz GXUVIQHFTVRWIS-TXEJJXNPSA-N 1 0 278.421 2.287 10 0 CEAERO CC1(C)Oc2ccc(NC(=O)[C@H]3C=C[C@H]([NH3+])C3)cc2O1 ZINC000092202484 180342773 /nfs/dbraw/zinc/34/27/73/180342773.db2.gz BMYDQKWYYKCNEA-UWVGGRQHSA-N 1 0 274.320 2.036 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)Nc2cc(Br)ccc2F)C1 ZINC000092201982 180343089 /nfs/dbraw/zinc/34/30/89/180343089.db2.gz JPYNOUOWRMOXCX-IONNQARKSA-N 1 0 299.143 2.430 10 0 CEAERO C[C@H](NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1)c1ccc(F)c(F)c1 ZINC000092202614 180343408 /nfs/dbraw/zinc/34/34/08/180343408.db2.gz KKLCQFHMMKFQIW-JMJZKYOTSA-N 1 0 266.291 2.045 10 0 CEAERO Cc1cc(N2CCCC2)ccc1NC(=O)[C@@H]1C=C[C@H]([NH3+])C1 ZINC000092202659 180343467 /nfs/dbraw/zinc/34/34/67/180343467.db2.gz YJPCGSYRFMZIGT-KGLIPLIRSA-N 1 0 285.391 2.437 10 0 CEAERO COc1cccc([C@@H]2CCCN2C(=O)[C@H]2C=C[C@@H]([NH3+])C2)c1 ZINC000092204721 180343805 /nfs/dbraw/zinc/34/38/05/180343805.db2.gz YASJKXBXUXLAIU-LZWOXQAQSA-N 1 0 286.375 2.262 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)N2CCC(c3ccccc3)CC2)C1 ZINC000092204759 180343900 /nfs/dbraw/zinc/34/39/00/180343900.db2.gz TVAYJHAZJFYRHP-HOTGVXAUSA-N 1 0 270.376 2.296 10 0 CEAERO Cc1ccc(C[C@H](C)NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)s1 ZINC000092208015 180344723 /nfs/dbraw/zinc/34/47/23/180344723.db2.gz FQSAQSVUFHWLNC-ZMLRMANQSA-N 1 0 264.394 2.007 10 0 CEAERO CC1CCC(CCNC(=O)[C@H]2C=C[C@@H]([NH3+])C2)CC1 ZINC000092207848 180344877 /nfs/dbraw/zinc/34/48/77/180344877.db2.gz LGGJNTWDQRQNGC-CLRIEMFWSA-N 1 0 250.386 2.222 10 0 CEAERO CSc1ccc(C(=O)N2[C@H](C)C[C@H]3C[NH2+]C[C@@H]32)cc1 ZINC000092231723 180347894 /nfs/dbraw/zinc/34/78/94/180347894.db2.gz BUOXVNMSXLNWAW-OSMZGAPFSA-N 1 0 276.405 2.231 10 0 CEAERO CSc1ccc(C(=O)N(C)[C@H]2CCC[NH2+]C2)cc1 ZINC000092232128 180348693 /nfs/dbraw/zinc/34/86/93/180348693.db2.gz BNEXMUCVMJSSSG-LBPRGKRZSA-N 1 0 264.394 2.233 10 0 CEAERO CSc1ccc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2(C)C)cc1 ZINC000092232591 180349282 /nfs/dbraw/zinc/34/92/82/180349282.db2.gz WRAHHZCNCALWNM-TZMCWYRMSA-N 1 0 290.432 2.479 10 0 CEAERO CN(C(=O)[C@@H]1CSc2ccccc21)[C@H]1CCC[C@@H]1C[NH3+] ZINC000092239717 180351483 /nfs/dbraw/zinc/35/14/83/180351483.db2.gz AIXWAUXXGOBNAZ-BNOWGMLFSA-N 1 0 290.432 2.462 10 0 CEAERO CC[C@@]1(C)C[NH2+]CCN1C[C@@H]1COc2ccccc21 ZINC000092307262 180360423 /nfs/dbraw/zinc/36/04/23/180360423.db2.gz HCYXTPHIFAYMFU-CJNGLKHVSA-N 1 0 260.381 2.237 10 0 CEAERO CN(C[C@H]1Cc2ccccc2S1)[C@@H]1CCC[NH2+]C1 ZINC000092267800 180355435 /nfs/dbraw/zinc/35/54/35/180355435.db2.gz OKJSXVYFANSQEP-ZIAGYGMSSA-N 1 0 262.422 2.387 10 0 CEAERO CC[C@H]1CN(CCSc2ccccc2)CC[NH2+]1 ZINC000092272624 180356195 /nfs/dbraw/zinc/35/61/95/180356195.db2.gz JNXBJFIHYBQKEA-ZDUSSCGKSA-N 1 0 250.411 2.463 10 0 CEAERO CC1(C)CN(C[C@@H]2Cc3ccccc3S2)CC[NH2+]1 ZINC000092272645 180356728 /nfs/dbraw/zinc/35/67/28/180356728.db2.gz WZICLDFVOJSLOB-ZDUSSCGKSA-N 1 0 262.422 2.387 10 0 CEAERO OC1(C[NH2+]C[C@H]2COc3ccccc32)CCCCC1 ZINC000092301325 180359324 /nfs/dbraw/zinc/35/93/24/180359324.db2.gz KHFPRNNEWKOANY-ZDUSSCGKSA-N 1 0 261.365 2.447 10 0 CEAERO COc1ccc(-c2noc([C@@H]3C=C[C@@H]([NH3+])C3)n2)cc1OC ZINC000092181458 180338239 /nfs/dbraw/zinc/33/82/39/180338239.db2.gz CEKKZJGNXRUQBO-GHMZBOCLSA-N 1 0 287.319 2.125 10 0 CEAERO C[NH2+]Cc1cnc(C)n1C[C@H]1COc2ccccc21 ZINC000092306745 180360632 /nfs/dbraw/zinc/36/06/32/180360632.db2.gz BDQGWVVBQNCDIB-LBPRGKRZSA-N 1 0 257.337 2.087 10 0 CEAERO CCOCC[N@@H+]1CCN(Cc2csc(CC)n2)C[C@H]1C ZINC000105835282 186075588 /nfs/dbraw/zinc/07/55/88/186075588.db2.gz NBCXYAMRLOXLPO-CYBMUJFWSA-N 1 0 297.468 2.248 10 0 CEAERO CC[NH2+][C@H](CN1C(=O)C[C@H](C)C1=O)c1ccccc1C ZINC000105832569 186075615 /nfs/dbraw/zinc/07/56/15/186075615.db2.gz NVSWKBYQPQCPOT-GXTWGEPZSA-N 1 0 274.364 2.041 10 0 CEAERO C[C@]1(C2CC2)C[NH2+]CCN1C[C@@H]1COc2ccccc21 ZINC000092307267 180360700 /nfs/dbraw/zinc/36/07/00/180360700.db2.gz PTRMTCNWLVKWOD-CXAGYDPISA-N 1 0 272.392 2.237 10 0 CEAERO CCOC(=O)[C@H]1CCC[N@H+](C[C@@H]2COc3ccccc32)C1 ZINC000092305656 180360729 /nfs/dbraw/zinc/36/07/29/180360729.db2.gz RSRVGZICGCJEPB-UONOGXRCSA-N 1 0 289.375 2.438 10 0 CEAERO C[NH2+][C@@H](CN1C(=O)C[C@@H](C)C1=O)c1cc2ccccc2o1 ZINC000105832499 186076483 /nfs/dbraw/zinc/07/64/83/186076483.db2.gz GMBCHMROBHDBCF-PWSUYJOCSA-N 1 0 286.331 2.088 10 0 CEAERO CCOCC[N@@H+]1CCN(Cc2cnc(C)s2)C[C@H]1CC ZINC000105838489 186077230 /nfs/dbraw/zinc/07/72/30/186077230.db2.gz PHWHVLSIKIZCQR-CQSZACIVSA-N 1 0 297.468 2.384 10 0 CEAERO COc1cccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000105919692 186089903 /nfs/dbraw/zinc/08/99/03/186089903.db2.gz OSMBHNDSFXFMNO-OAHLLOKOSA-N 1 0 286.379 2.199 10 0 CEAERO CC[C@H](c1ccccc1)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105924495 186090468 /nfs/dbraw/zinc/09/04/68/186090468.db2.gz IXXLOUPXPPLRHR-HZPDHXFCSA-N 1 0 262.397 2.400 10 0 CEAERO CCc1nc([C@H]2CCOC2)nc(CC)c1CC[NH2+]C1CC1 ZINC000092318901 180362002 /nfs/dbraw/zinc/36/20/02/180362002.db2.gz IRQBRQSFMARQDT-LBPRGKRZSA-N 1 0 289.423 2.400 10 0 CEAERO CC[NH2+]CCc1c(CC)nn(-c2cc(C)ncn2)c1CC ZINC000092322832 180362341 /nfs/dbraw/zinc/36/23/41/180362341.db2.gz FXUNMHDHOVPDHF-UHFFFAOYSA-N 1 0 287.411 2.248 10 0 CEAERO COc1ccc(-n2nc(C)c(CCC[NH3+])c2C)cc1 ZINC000092323108 180362501 /nfs/dbraw/zinc/36/25/01/180362501.db2.gz VRDUMKFJPNHLRE-UHFFFAOYSA-N 1 0 259.353 2.389 10 0 CEAERO Cc1nn(-c2ncccn2)c(C)c1[C@@H](C)C[NH2+]C(C)C ZINC000092321496 180362517 /nfs/dbraw/zinc/36/25/17/180362517.db2.gz XCCYOCKEQFUAEC-NSHDSACASA-N 1 0 273.384 2.381 10 0 CEAERO CC[NH2+]C[C@@H](C)Cc1c(C)nn(-c2ncccn2)c1C ZINC000092321539 180362545 /nfs/dbraw/zinc/36/25/45/180362545.db2.gz JMOJMNVUPUZAPG-NSHDSACASA-N 1 0 273.384 2.067 10 0 CEAERO Cc1nn(C)c(C)c1C[NH2+][C@H](C)c1c(C)nn(C)c1C ZINC000092324872 180362549 /nfs/dbraw/zinc/36/25/49/180362549.db2.gz WLICCVKFXZMVMS-SNVBAGLBSA-N 1 0 275.400 2.238 10 0 CEAERO CC[C@H](C)N1C(=O)C[C@H]([NH2+][C@@H]2C[C@@H]2c2ccccc2)C1=O ZINC000105978177 186096138 /nfs/dbraw/zinc/09/61/38/186096138.db2.gz JGVRXGYYUWIIKD-MYPMTAMASA-N 1 0 286.375 2.058 10 0 CEAERO CCC[C@H](CC[NH3+])CCC(=O)NCc1c(C)noc1C ZINC000092330439 180363933 /nfs/dbraw/zinc/36/39/33/180363933.db2.gz SGDJHEWPVISNLI-ZDUSSCGKSA-N 1 0 281.400 2.453 10 0 CEAERO Cc1noc(C)c1CNC(=O)[C@H](C)CCC[C@@H](C)[NH3+] ZINC000092330604 180363969 /nfs/dbraw/zinc/36/39/69/180363969.db2.gz XLAWGPYCRQVWTF-NXEZZACHSA-N 1 0 267.373 2.061 10 0 CEAERO COc1ccc([C@@H](C[NH3+])NCc2ccccc2)cc1 ZINC000106024116 186098739 /nfs/dbraw/zinc/09/87/39/186098739.db2.gz AHNLTJWNOSZJQD-MRXNPFEDSA-N 1 0 256.349 2.485 10 0 CEAERO CCN(Cc1cccs1)C(=O)C[NH2+]C(C)(C)C ZINC000106110222 186102384 /nfs/dbraw/zinc/10/23/84/186102384.db2.gz MDUGQGOGZOMLMT-UHFFFAOYSA-N 1 0 254.399 2.485 10 0 CEAERO Cc1noc(C)c1Cn1c(N)[nH+]c2cc(F)ccc21 ZINC000092341091 180365724 /nfs/dbraw/zinc/36/57/24/180365724.db2.gz WQCLECFAPJXLSD-UHFFFAOYSA-N 1 0 260.272 2.411 10 0 CEAERO Cc1noc(C)c1[C@@H](C)N1CC[NH2+][C@@](C)(C2CC2)C1 ZINC000092342330 180365938 /nfs/dbraw/zinc/36/59/38/180365938.db2.gz CZOKRDMKOZUHGQ-IAQYHMDHSA-N 1 0 263.385 2.426 10 0 CEAERO Cc1noc(C)c1[C@@H](C)N1CCC[C@@H]([NH2+]C(C)C)C1=O ZINC000092342019 180365967 /nfs/dbraw/zinc/36/59/67/180365967.db2.gz LGTGIYZEVXNXRN-DGCLKSJQSA-N 1 0 279.384 2.341 10 0 CEAERO Cc1cc(CN(C)CCC(N)=[NH2+])c2ccccc2n1 ZINC000092348129 180367567 /nfs/dbraw/zinc/36/75/67/180367567.db2.gz ZCCQMCUGTVPJQJ-UHFFFAOYSA-N 1 0 256.353 2.301 10 0 CEAERO CCNc1cccc(C[NH+]2CCC(COC)CC2)n1 ZINC000092370958 180369710 /nfs/dbraw/zinc/36/97/10/180369710.db2.gz CYTPGZHJPDFVOC-UHFFFAOYSA-N 1 0 263.385 2.372 10 0 CEAERO CCNc1cccc(CN2CC[NH+](C(C)(C)C)CC2)n1 ZINC000092369763 180370062 /nfs/dbraw/zinc/37/00/62/180370062.db2.gz ZINONFVMNQRRRV-UHFFFAOYSA-N 1 0 276.428 2.430 10 0 CEAERO CCN1CCC[C@H]1C[N@H+](C)CC1(O)CCCCC1 ZINC000106379370 186111526 /nfs/dbraw/zinc/11/15/26/186111526.db2.gz PQYXXVPYLRFACC-AWEZNQCLSA-N 1 0 254.418 2.098 10 0 CEAERO COc1ccc(COCc2cccc(NN)[nH+]2)cc1 ZINC000092371617 180370671 /nfs/dbraw/zinc/37/06/71/180370671.db2.gz ZNXCSFUDLNKHGO-UHFFFAOYSA-N 1 0 259.309 2.093 10 0 CEAERO CC(C)c1nc2c(n1C)CC[N@H+](CCCCCO)C2 ZINC000106387343 186113431 /nfs/dbraw/zinc/11/34/31/186113431.db2.gz UFYWIKUKVVBOIX-UHFFFAOYSA-N 1 0 265.401 2.064 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@@H](Sc1n[nH]c(C)n1)CC2 ZINC000092390055 180375342 /nfs/dbraw/zinc/37/53/42/180375342.db2.gz RDBXKQNYARWJLF-STQMWFEESA-N 1 0 290.392 2.229 10 0 CEAERO CC[NH2+][C@]1(CC(=O)OC)CCCc2ccc(OC)cc21 ZINC000092390505 180375441 /nfs/dbraw/zinc/37/54/41/180375441.db2.gz KDXIXLNRFODHEC-INIZCTEOSA-N 1 0 277.364 2.399 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@@H](SC[C@H](C)CO)CC2 ZINC000092390193 180375457 /nfs/dbraw/zinc/37/54/57/180375457.db2.gz YHPXBUQBSNCLAH-ONERCXAPSA-N 1 0 281.421 2.371 10 0 CEAERO COc1cc([C@H](C)[NH2+][C@@H](CO)C(C)C)ccc1O ZINC000092393709 180375918 /nfs/dbraw/zinc/37/59/18/180375918.db2.gz NSQYQNCMOLGAOZ-JQWIXIFHSA-N 1 0 253.342 2.068 10 0 CEAERO CC(C)[C@H](CO)[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000092400249 180377716 /nfs/dbraw/zinc/37/77/16/180377716.db2.gz ZYYYAUBIAGNZEU-QWHCGFSZSA-N 1 0 291.313 2.345 10 0 CEAERO CC[C@@H](C)NC(=O)CCNC1=[NH+][C@@H](C(C)C)CS1 ZINC000092402520 180378472 /nfs/dbraw/zinc/37/84/72/180378472.db2.gz FECPZVYFKDWHTD-GHMZBOCLSA-N 1 0 271.430 2.008 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1Cc1cc(Cl)ccn1 ZINC000092417179 180381068 /nfs/dbraw/zinc/38/10/68/180381068.db2.gz FBFGVJTYLOEMAB-CYBMUJFWSA-N 1 0 253.777 2.309 10 0 CEAERO CCCNc1cc[nH+]c(CN(C)CC(=O)N(CC)CC)c1 ZINC000092418780 180381130 /nfs/dbraw/zinc/38/11/30/180381130.db2.gz GNEZBGRNXFMCFN-UHFFFAOYSA-N 1 0 292.427 2.204 10 0 CEAERO CCn1c(C)[nH+]c(-c2cc(OC)ccc2OC)c1N ZINC000106831064 186138413 /nfs/dbraw/zinc/13/84/13/186138413.db2.gz CNKROYUZKOFNGN-UHFFFAOYSA-N 1 0 261.325 2.478 10 0 CEAERO C[NH2+][C@H]1c2cc(OC)ccc2CC[C@@H]1N(C)CCCOC ZINC000092385835 180374218 /nfs/dbraw/zinc/37/42/18/180374218.db2.gz OMZCNXZKCGLJQJ-IRXDYDNUSA-N 1 0 292.423 2.239 10 0 CEAERO c1cc2c(cc1C[NH2+]CC1CCOCC1)OCCCO2 ZINC000107064400 186157911 /nfs/dbraw/zinc/15/79/11/186157911.db2.gz SZANDWFQFWFTNF-UHFFFAOYSA-N 1 0 277.364 2.364 10 0 CEAERO CCC(CC)(C[NH3+])NC(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000107915346 186197021 /nfs/dbraw/zinc/19/70/21/186197021.db2.gz UGQBYEDWQFRCPS-XQQFMLRXSA-N 1 0 252.402 2.446 10 0 CEAERO CCc1cccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2CC(O)C3)c1 ZINC000107926910 186198301 /nfs/dbraw/zinc/19/83/01/186198301.db2.gz IKUFFJXVMCHVMC-XYPWUTKMSA-N 1 0 288.391 2.175 10 0 CEAERO C[N@@H+]1CCC[C@@H](Cn2c3ccncc3[nH]c2=S)C1 ZINC000092514499 180399563 /nfs/dbraw/zinc/39/95/63/180399563.db2.gz UCULLRBVJUATQY-SNVBAGLBSA-N 1 0 262.382 2.436 10 0 CEAERO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)NS(C)(=O)=O)s1 ZINC000109041630 186241593 /nfs/dbraw/zinc/24/15/93/186241593.db2.gz FQPHQKBAURLRFA-SNVBAGLBSA-N 1 0 290.454 2.035 10 0 CEAERO COc1ccc([C@@H](O)C[NH2+]CC2(O)CCCCC2)cc1 ZINC000109122129 186244258 /nfs/dbraw/zinc/24/42/58/186244258.db2.gz KIFOXEXPYHSAMC-HNNXBMFYSA-N 1 0 279.380 2.013 10 0 CEAERO CC[NH2+]C1CCC(c2nc(C[C@@H]3CCCO3)no2)CC1 ZINC000109495881 186256860 /nfs/dbraw/zinc/25/68/60/186256860.db2.gz UJXJSDKEOXLVOD-BPCQOVAHSA-N 1 0 279.384 2.427 10 0 CEAERO CC[NH2+][C@H](Cc1nc(C[C@H]2CCCO2)no1)C(C)(C)C ZINC000109495691 186256971 /nfs/dbraw/zinc/25/69/71/186256971.db2.gz IPYOZINHKPBQPS-VXGBXAGGSA-N 1 0 281.400 2.358 10 0 CEAERO CC[C@@H](Cc1nc(-c2cccc(OC)c2)no1)[NH2+]C ZINC000109504042 186257480 /nfs/dbraw/zinc/25/74/80/186257480.db2.gz PKCOPLMQWFTKKB-NSHDSACASA-N 1 0 261.325 2.286 10 0 CEAERO CCC[C@H]([NH3+])Cc1nc(Cc2ccc(F)cc2)no1 ZINC000109501352 186257574 /nfs/dbraw/zinc/25/75/74/186257574.db2.gz ODTQVDOXRBJLEI-LBPRGKRZSA-N 1 0 263.316 2.469 10 0 CEAERO CC[NH2+][C@H](Cc1nc(-c2ncccn2)no1)C(C)(C)C ZINC000109505438 186257650 /nfs/dbraw/zinc/25/76/50/186257650.db2.gz LADFRZRFZJZSCP-SNVBAGLBSA-N 1 0 275.356 2.093 10 0 CEAERO C[NH2+][C@H](C)CCc1nc(Cc2ccc(F)cc2)no1 ZINC000109501541 186257874 /nfs/dbraw/zinc/25/78/74/186257874.db2.gz AWTJCPOFARUKRQ-SNVBAGLBSA-N 1 0 263.316 2.340 10 0 CEAERO COC[C@H]([NH3+])Cc1nc([C@@H]2CCCc3ccccc32)no1 ZINC000109514928 186258403 /nfs/dbraw/zinc/25/84/03/186258403.db2.gz YCFAKEJFIKQIGK-TZMCWYRMSA-N 1 0 287.363 2.054 10 0 CEAERO C[NH2+][C@@H](Cc1nc(Cc2ccc(OC)cc2)no1)C1CC1 ZINC000109520905 186258755 /nfs/dbraw/zinc/25/87/55/186258755.db2.gz FSHCPVAZOJLPRB-AWEZNQCLSA-N 1 0 287.363 2.210 10 0 CEAERO CC[NH2+][C@H](CC)Cc1nc(CC(F)(F)F)no1 ZINC000109517323 186258787 /nfs/dbraw/zinc/25/87/87/186258787.db2.gz KRDAWOWCFIGFBB-SSDOTTSWSA-N 1 0 251.252 2.105 10 0 CEAERO CCC[NH2+][C@@H](C)[C@@H](CC)c1nc(CCOC)no1 ZINC000109517046 186258897 /nfs/dbraw/zinc/25/88/97/186258897.db2.gz UKZBXUFFSSGQBF-WDEREUQCSA-N 1 0 255.362 2.140 10 0 CEAERO COc1ccc(Cc2noc([C@@H]3CCC[C@@H]3[NH3+])n2)cc1 ZINC000109520719 186259267 /nfs/dbraw/zinc/25/92/67/186259267.db2.gz LTYRZJRJRBRXAP-OLZOCXBDSA-N 1 0 273.336 2.264 10 0 CEAERO CNC(=O)c1ccc(N)c(N[C@@H](CC(C)C)C[NH+](C)C)c1 ZINC000109532551 186260039 /nfs/dbraw/zinc/26/00/39/186260039.db2.gz LFIPBQDHSYPQRP-ZDUSSCGKSA-N 1 0 292.427 2.017 10 0 CEAERO O=C(C[NH2+][C@H]1CCCOC1)Nc1ccccc1Cl ZINC000109546796 186261762 /nfs/dbraw/zinc/26/17/62/186261762.db2.gz JDMRBUHOAFFZDB-JTQLQIEISA-N 1 0 268.744 2.047 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(NC(=O)N[C@@H]2CCCOC2)cc1 ZINC000109552714 186262908 /nfs/dbraw/zinc/26/29/08/186262908.db2.gz GEXUAZVRDJEXJO-SMDDNHRTSA-N 1 0 277.368 2.268 10 0 CEAERO C[C@@H]([NH3+])c1cccc(NC(=O)N[C@@H]2CCCOC2)c1 ZINC000109552763 186263150 /nfs/dbraw/zinc/26/31/50/186263150.db2.gz BXVBUTIWOWNRFX-ZWNOBZJWSA-N 1 0 263.341 2.007 10 0 CEAERO CCC[NH2+][C@H]1C(=O)Nc2cc(OC[C@@H]3CCOC3)ccc21 ZINC000109576571 186263597 /nfs/dbraw/zinc/26/35/97/186263597.db2.gz OVXAPFODWHAEMA-IAQYHMDHSA-N 1 0 290.363 2.095 10 0 CEAERO CCOC(=O)C1CCN(Cc2cc(C[NH3+])ccc2F)CC1 ZINC000109603612 186267035 /nfs/dbraw/zinc/26/70/35/186267035.db2.gz ABPOWMIWBRAUTO-UHFFFAOYSA-N 1 0 294.370 2.060 10 0 CEAERO Cc1ccc([C@H]([NH2+]CCc2nncn2C)C2CC2)cc1 ZINC000109422336 186251661 /nfs/dbraw/zinc/25/16/61/186251661.db2.gz KUVCZIYTFMAXRW-INIZCTEOSA-N 1 0 270.380 2.407 10 0 CEAERO [NH3+]C[C@@]1(N2CCC(Cc3ccccc3)CC2)CCOC1 ZINC000109431547 186252249 /nfs/dbraw/zinc/25/22/49/186252249.db2.gz FSFCFJVGRSOYAL-KRWDZBQOSA-N 1 0 274.408 2.059 10 0 CEAERO C(c1nc2c(s1)CCCCCC2)N1CC[NH2+]CC1 ZINC000109432466 186252303 /nfs/dbraw/zinc/25/23/03/186252303.db2.gz KTVYWQMSNOSBPR-UHFFFAOYSA-N 1 0 265.426 2.207 10 0 CEAERO CCC[C@@H](C)CN1CC[NH+]([C@H](CC)C(N)=S)CC1 ZINC000109469410 186253977 /nfs/dbraw/zinc/25/39/77/186253977.db2.gz OYJBZVTVBBHLDI-CHWSQXEVSA-N 1 0 271.474 2.105 10 0 CEAERO CCN[C@@](C)(C[N@H+](CCC(C)C)C1CC1)C(=O)OC ZINC000109956401 186280738 /nfs/dbraw/zinc/28/07/38/186280738.db2.gz UKZBRBAZDMIECS-HNNXBMFYSA-N 1 0 270.417 2.038 10 0 CEAERO Cc1ccc(CN2CC[C@H]([NH+]3CCCC3)C2)cc1N ZINC000110370922 186294901 /nfs/dbraw/zinc/29/49/01/186294901.db2.gz LELFXZBVNFUELZ-HNNXBMFYSA-N 1 0 259.397 2.247 10 0 CEAERO CC[C@H](c1nc(Cc2cccnc2)no1)[C@H](C)[NH2+]C ZINC000110461323 186297395 /nfs/dbraw/zinc/29/73/95/186297395.db2.gz UPLQMSKDSWAHQF-JQWIXIFHSA-N 1 0 260.341 2.157 10 0 CEAERO CC[NH2+][C@H](CC)Cc1nc(-c2cccc(C)n2)no1 ZINC000110476052 186298581 /nfs/dbraw/zinc/29/85/81/186298581.db2.gz NNMIJXCFJSLYMC-LLVKDONJSA-N 1 0 260.341 2.371 10 0 CEAERO C[NH2+][C@H](C)Cc1nc(-c2ccc3ncccc3c2)no1 ZINC000110514332 186300095 /nfs/dbraw/zinc/30/00/95/186300095.db2.gz VDDXRFVYQBRAGF-SNVBAGLBSA-N 1 0 268.320 2.435 10 0 CEAERO CC[C@]1(C(=O)Nc2nc3ccccc3[nH]2)CCC[NH2+]C1 ZINC000110538133 186301878 /nfs/dbraw/zinc/30/18/78/186301878.db2.gz MZWAATBZQMOTES-HNNXBMFYSA-N 1 0 272.352 2.281 10 0 CEAERO CC[NH2+]C[C@@H](O[C@@H]1CCOC1)c1cccc(OC)c1 ZINC000110530185 186302243 /nfs/dbraw/zinc/30/22/43/186302243.db2.gz PKWZKCQNSHTZQA-HUUCEWRRSA-N 1 0 265.353 2.151 10 0 CEAERO CC(C)CN(CCC[NH3+])C(=O)[C@H]1COc2ccccc2C1 ZINC000110539648 186302396 /nfs/dbraw/zinc/30/23/96/186302396.db2.gz WRKNIKHNMYLCSF-OAHLLOKOSA-N 1 0 290.407 2.071 10 0 CEAERO CC[C@H]([NH2+]C)c1nnc([C@@H]2COc3ccccc3C2)o1 ZINC000110541264 186302493 /nfs/dbraw/zinc/30/24/93/186302493.db2.gz KPUPGQIWEPLHDE-RYUDHWBXSA-N 1 0 273.336 2.459 10 0 CEAERO C[C@@H]1CCC[C@@H](C)N1C(=O)Cc1ccc(C[NH3+])cc1 ZINC000110611768 186305006 /nfs/dbraw/zinc/30/50/06/186305006.db2.gz BOGZPXUPWYWRAO-CHWSQXEVSA-N 1 0 260.381 2.477 10 0 CEAERO COCc1ccccc1NC(=O)Cc1ccc(C[NH3+])cc1 ZINC000110612835 186305203 /nfs/dbraw/zinc/30/52/03/186305203.db2.gz MGOXXYOBMSDPLA-UHFFFAOYSA-N 1 0 284.359 2.473 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2cc(OC)c(F)cc2N)C1 ZINC000110626889 186306358 /nfs/dbraw/zinc/30/63/58/186306358.db2.gz LSENRJICLDFKRU-SNVBAGLBSA-N 1 0 267.348 2.313 10 0 CEAERO CCOc1cc(NC[C@H]2CC[N@H+](C)C2)c(N)cc1F ZINC000110633226 186307821 /nfs/dbraw/zinc/30/78/21/186307821.db2.gz ASCMNNKUTFQPRD-SNVBAGLBSA-N 1 0 267.348 2.170 10 0 CEAERO O=C(NCC[C@@H]1CC[NH2+]C1)NC12CC3CC(CC(C3)C1)C2 ZINC000110796669 186325820 /nfs/dbraw/zinc/32/58/20/186325820.db2.gz XCYHHPIDWBWYGK-ORVZXPRGSA-N 1 0 291.439 2.254 10 0 CEAERO CCC[NH+]1CCN(c2cc(OCC)c(F)cc2N)CC1 ZINC000110920427 186331998 /nfs/dbraw/zinc/33/19/98/186331998.db2.gz BMEPHWRISSLZHJ-UHFFFAOYSA-N 1 0 281.375 2.339 10 0 CEAERO CCCc1ccc(NC(=O)CN(C)[C@H]2CCC[NH2+]C2)cc1 ZINC000110932083 186333727 /nfs/dbraw/zinc/33/37/27/186333727.db2.gz SSDQBXPTHHQCLJ-INIZCTEOSA-N 1 0 289.423 2.261 10 0 CEAERO COc1cc([C@H](C)N(C)[C@@H]2CCC[NH2+]C2)ccc1O ZINC000110926656 186333967 /nfs/dbraw/zinc/33/39/67/186333967.db2.gz KUVSTVWZNWYYKT-WCQYABFASA-N 1 0 264.369 2.146 10 0 CEAERO C[C@H]([NH3+])[C@@H](Oc1ccccc1CO)c1ccccn1 ZINC000110993194 186341382 /nfs/dbraw/zinc/34/13/82/186341382.db2.gz FMTMYSHYIASJLD-XHDPSFHLSA-N 1 0 258.321 2.041 10 0 CEAERO CCCN(Cc1ccc(O)c(OC)c1)[C@H]1CCC[NH2+]C1 ZINC000110938085 186334107 /nfs/dbraw/zinc/33/41/07/186334107.db2.gz BQDYIDZGAQEPGA-AWEZNQCLSA-N 1 0 278.396 2.365 10 0 CEAERO CCN(C(=O)c1cccc2[nH]ccc21)[C@H]1CCC[NH2+]C1 ZINC000110939855 186334362 /nfs/dbraw/zinc/33/43/62/186334362.db2.gz LZIBNHDPYCUPJQ-LBPRGKRZSA-N 1 0 271.364 2.382 10 0 CEAERO CCN(C(=O)c1cccn1C1CC1)[C@H]1CCC[NH2+]C1 ZINC000110940063 186334593 /nfs/dbraw/zinc/33/45/93/186334593.db2.gz QXRNTGRCUNDORC-ZDUSSCGKSA-N 1 0 261.369 2.037 10 0 CEAERO CCN(C(=O)CC1=CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000110939831 186334880 /nfs/dbraw/zinc/33/48/80/186334880.db2.gz GASAVHZDSXWPOV-AWEZNQCLSA-N 1 0 250.386 2.477 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(C)cc1O[C@H]1CCOC1=O ZINC000110960785 186338024 /nfs/dbraw/zinc/33/80/24/186338024.db2.gz DQTQXWGMRJQRKB-YPMHNXCESA-N 1 0 263.337 2.360 10 0 CEAERO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](C)COC)C1 ZINC000110974690 186338103 /nfs/dbraw/zinc/33/81/03/186338103.db2.gz PRHHSMLCYDBALU-KBPBESRZSA-N 1 0 284.444 2.286 10 0 CEAERO [NH3+]C[C@H](Oc1ccccc1CO)c1ccccc1F ZINC000110992708 186340079 /nfs/dbraw/zinc/34/00/79/186340079.db2.gz HLFVVHNXALIAHS-HNNXBMFYSA-N 1 0 261.296 2.397 10 0 CEAERO C[C@H]1CN(Cc2cc(N)ccc2Cl)CC[N@@H+]1C ZINC000110700729 186314196 /nfs/dbraw/zinc/31/41/96/186314196.db2.gz JAYPOOLAWFDQGZ-JTQLQIEISA-N 1 0 253.777 2.058 10 0 CEAERO CCNc1cc(CN2CC[N@H+](C)[C@@H](CC)C2)ccn1 ZINC000110743109 186319110 /nfs/dbraw/zinc/31/91/10/186319110.db2.gz CYHOMRYQLLXHMC-AWEZNQCLSA-N 1 0 262.401 2.039 10 0 CEAERO C[C@@H](O)c1ccc(NC(=O)N2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000110770225 186322618 /nfs/dbraw/zinc/32/26/18/186322618.db2.gz MGKMFDOKXGFJOA-GFCCVEGCSA-N 1 0 291.395 2.298 10 0 CEAERO CC[C@H]1CN(C(=O)c2cc3ccccc3[nH]2)CC[N@@H+]1C ZINC000110767540 186323360 /nfs/dbraw/zinc/32/33/60/186323360.db2.gz GMZJTKMHFOMBAA-ZDUSSCGKSA-N 1 0 271.364 2.334 10 0 CEAERO CCCO[C@@H]1CCC[N@H+](CC(OCC)OCC)C1 ZINC000110783462 186324067 /nfs/dbraw/zinc/32/40/67/186324067.db2.gz DGSBUTYXLCLEHQ-CYBMUJFWSA-N 1 0 259.390 2.277 10 0 CEAERO CC(C)(C)SCC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000110791711 186324780 /nfs/dbraw/zinc/32/47/80/186324780.db2.gz SOHGKINELMSGNG-LLVKDONJSA-N 1 0 258.431 2.024 10 0 CEAERO C[N@@H+]1CCCC[C@H]1CNC(=O)c1c(N)cccc1Cl ZINC000111012097 186342958 /nfs/dbraw/zinc/34/29/58/186342958.db2.gz KWPNTSNUBZCUHT-JTQLQIEISA-N 1 0 281.787 2.136 10 0 CEAERO CC(C)C[NH+]1CCN(C(=O)c2c(N)cccc2Cl)CC1 ZINC000111010849 186343379 /nfs/dbraw/zinc/34/33/79/186343379.db2.gz KLEIZMAIVQICOV-UHFFFAOYSA-N 1 0 295.814 2.336 10 0 CEAERO CCNc1ccc(C(=O)N(C)CC[NH+](C)C)cc1C ZINC000111151500 186361002 /nfs/dbraw/zinc/36/10/02/186361002.db2.gz DAOXERDWOVVZHM-UHFFFAOYSA-N 1 0 263.385 2.060 10 0 CEAERO CN(CC[NH+](C)C)c1nc2c(s1)[C@H](O)CC(C)(C)C2 ZINC000111151541 186361006 /nfs/dbraw/zinc/36/10/06/186361006.db2.gz DZSDUWKVPNIGNR-LLVKDONJSA-N 1 0 283.441 2.147 10 0 CEAERO CC[C@@H](N)[C@H]([N@H+](C)C[C@@H]1CCCOC1)C(C)(C)C ZINC000111154055 186361062 /nfs/dbraw/zinc/36/10/62/186361062.db2.gz CWNSYMLHTVKMGI-MJBXVCDLSA-N 1 0 256.434 2.497 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1ccco1)N(C)CC1CCOCC1 ZINC000111156433 186361440 /nfs/dbraw/zinc/36/14/40/186361440.db2.gz PMUKFHRLHKZBNX-RISCZKNCSA-N 1 0 252.358 2.026 10 0 CEAERO CCCN(c1ccc(C[NH3+])cc1)S(=O)(=O)C(C)(C)C ZINC000111071317 186351042 /nfs/dbraw/zinc/35/10/42/186351042.db2.gz CJYVAFWPUNCNEB-UHFFFAOYSA-N 1 0 284.425 2.490 10 0 CEAERO CCCOCCOC(=O)[C@]1(CCC)CCC[NH2+]C1 ZINC000111106119 186352900 /nfs/dbraw/zinc/35/29/00/186352900.db2.gz PXPDADAFEZTPLB-CQSZACIVSA-N 1 0 257.374 2.126 10 0 CEAERO CCCOCCOc1nc2c(cc1C(N)=[NH2+])CCCC2 ZINC000111109107 186353949 /nfs/dbraw/zinc/35/39/49/186353949.db2.gz GPPVHLSZIWXPCZ-UHFFFAOYSA-N 1 0 277.368 2.050 10 0 CEAERO CCOCCN(CC)c1nc2c(cc1C(N)=[NH2+])CCCC2 ZINC000111119666 186355363 /nfs/dbraw/zinc/35/53/63/186355363.db2.gz NJPICCGFBBPSDJ-UHFFFAOYSA-N 1 0 290.411 2.107 10 0 CEAERO CN(CCC[NH+](C)C)C(=O)c1cnc(Cl)c(Cl)c1 ZINC000111135650 186357226 /nfs/dbraw/zinc/35/72/26/186357226.db2.gz TUTQYESUMZAOJI-UHFFFAOYSA-N 1 0 290.194 2.412 10 0 CEAERO CCCNc1cc(CN(C)CCC[NH+](C)C)ccn1 ZINC000111146210 186358379 /nfs/dbraw/zinc/35/83/79/186358379.db2.gz MFRXWRLPKLOYQI-UHFFFAOYSA-N 1 0 264.417 2.287 10 0 CEAERO CCOc1ccc([C@@H](O)CN(C)CCC[NH+](C)C)cc1 ZINC000111143892 186358818 /nfs/dbraw/zinc/35/88/18/186358818.db2.gz DSACTEUBAJXIDT-INIZCTEOSA-N 1 0 280.412 2.002 10 0 CEAERO C[C@@H](O)c1ccc(NC(=O)N(C)CCC[NH+](C)C)cc1 ZINC000111149581 186358929 /nfs/dbraw/zinc/35/89/29/186358929.db2.gz HSKFNOIMXBXOQW-GFCCVEGCSA-N 1 0 279.384 2.155 10 0 CEAERO CN(C[C@H]1CCCOC1)c1nc2c(cc1C[NH3+])CCCC2 ZINC000111153744 186359724 /nfs/dbraw/zinc/35/97/24/186359724.db2.gz VTAVKQVVMRVTBJ-CYBMUJFWSA-N 1 0 289.423 2.282 10 0 CEAERO Cc1ccc([C@H](CN)[N@H+](C)C[C@@H]2CCCOC2)cc1 ZINC000111155103 186360294 /nfs/dbraw/zinc/36/02/94/186360294.db2.gz UQXQKMODCOTKSE-HOCLYGCPSA-N 1 0 262.397 2.353 10 0 CEAERO CN(C[C@@H]1CCCOC1)c1cc(Cl)ccc1C(N)=[NH2+] ZINC000111163992 186364058 /nfs/dbraw/zinc/36/40/58/186364058.db2.gz YOONYICUQCLSES-JTQLQIEISA-N 1 0 281.787 2.487 10 0 CEAERO C[C@H]([NH3+])c1ccc(NC(=O)NCC2CCOCC2)cc1 ZINC000111182537 186366855 /nfs/dbraw/zinc/36/68/55/186366855.db2.gz RKEAAALEYGKWQI-NSHDSACASA-N 1 0 277.368 2.254 10 0 CEAERO CN(C)C[C@H]([NH2+]C[C@@H]1CCCOC1)c1ccccc1 ZINC000111317910 186395657 /nfs/dbraw/zinc/39/56/57/186395657.db2.gz BDGLWCMWTQOALV-HOCLYGCPSA-N 1 0 262.397 2.306 10 0 CEAERO O=C1CCCN1c1ccc(C[NH2+]C[C@H]2CCCOC2)cc1 ZINC000111317923 186396054 /nfs/dbraw/zinc/39/60/54/186396054.db2.gz OTVUCKFDQZCQJN-OAHLLOKOSA-N 1 0 288.391 2.330 10 0 CEAERO C[C@H]([NH3+])[C@H](Sc1nnc(N(C)C)s1)c1cccnc1 ZINC000111315255 186396299 /nfs/dbraw/zinc/39/62/99/186396299.db2.gz IGRYRCXIRPBKEZ-WPRPVWTQSA-N 1 0 295.437 2.180 10 0 CEAERO Cc1ccc([C@H](C[NH3+])Sc2nnc(N(C)C)s2)o1 ZINC000111315414 186396309 /nfs/dbraw/zinc/39/63/09/186396309.db2.gz OJCMEDUKCQNAAS-VIFPVBQESA-N 1 0 284.410 2.298 10 0 CEAERO C[C@@H]1CN(C[C@]2(C[NH2+]C(C)(C)C)CCCOC2)C[C@H](C)O1 ZINC000111323857 186396842 /nfs/dbraw/zinc/39/68/42/186396842.db2.gz OSVSAPYEUINKBF-HLLBOEOZSA-N 1 0 298.471 2.281 10 0 CEAERO C[C@H]1c2ccsc2CCN1[C@@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111321035 186397719 /nfs/dbraw/zinc/39/77/19/186397719.db2.gz JNEJQULJKRWVNP-SCRDCRAPSA-N 1 0 280.437 2.421 10 0 CEAERO COCC[NH2+][C@@H](c1nc(C)c(C)s1)[C@H]1CCCOC1 ZINC000111322388 186397945 /nfs/dbraw/zinc/39/79/45/186397945.db2.gz AIMKZWDIOUULMQ-QWHCGFSZSA-N 1 0 284.425 2.464 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C[C@@H](C)COC ZINC000251850441 539808705 /nfs/dbraw/zinc/80/87/05/539808705.db2.gz RSGVMGKRZWMWHP-KFWWJZLASA-N 1 0 254.418 2.218 10 0 CEAERO CS(=O)(=O)CCC[NH2+]C[C@@H]1CCCc2ccccc21 ZINC000111341815 186402668 /nfs/dbraw/zinc/40/26/68/186402668.db2.gz FXZHPAIBCWWAKU-AWEZNQCLSA-N 1 0 281.421 2.131 10 0 CEAERO COc1cccc(-c2noc([C@@H]3C[NH2+]C[C@H]3C)n2)c1 ZINC000111256396 186379371 /nfs/dbraw/zinc/37/93/71/186379371.db2.gz SSXOPLUISSCGCT-BXKDBHETSA-N 1 0 259.309 2.068 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1c1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000111256553 186379992 /nfs/dbraw/zinc/37/99/92/186379992.db2.gz IFZDYVLCMWREEO-POYBYMJQSA-N 1 0 283.253 2.477 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)[C@@H]2C[NH2+]C[C@@H]2C)s1 ZINC000111271833 186383809 /nfs/dbraw/zinc/38/38/09/186383809.db2.gz YPHLYFWIPDQZFU-JMJZKYOTSA-N 1 0 252.383 2.089 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)N1CCCCC[C@@H]1c1cccn1C ZINC000111268289 186383857 /nfs/dbraw/zinc/38/38/57/186383857.db2.gz APYZALRACUWMMT-SQWLQELKSA-N 1 0 289.423 2.324 10 0 CEAERO CCC(CC)N(CC(F)(F)F)C(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000111269152 186383878 /nfs/dbraw/zinc/38/38/78/186383878.db2.gz GQWPNRFWWACVEP-KOLCDFICSA-N 1 0 280.334 2.421 10 0 CEAERO CC[C@@H]1c2ccsc2CCN1C(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000111268977 186384224 /nfs/dbraw/zinc/38/42/24/186384224.db2.gz ITYNCPSPYPBACP-WCFLWFBJSA-N 1 0 278.421 2.439 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000111268275 186384342 /nfs/dbraw/zinc/38/43/42/186384342.db2.gz QGQKWBXTFWDVPD-XHDPSFHLSA-N 1 0 276.355 2.172 10 0 CEAERO Cc1cccc(CN(C(=O)[C@H]2C[NH2+]C[C@H]2C)C2CC2)c1 ZINC000111268715 186384369 /nfs/dbraw/zinc/38/43/69/186384369.db2.gz KRQCEVLGOBGNNA-CJNGLKHVSA-N 1 0 272.392 2.342 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCCc2sccc21 ZINC000111272561 186385361 /nfs/dbraw/zinc/38/53/61/186385361.db2.gz LGNJCVNKDHJHRX-MVWJERBFSA-N 1 0 264.394 2.097 10 0 CEAERO CCN(C(=O)[C@H]1C[NH2+]C[C@H]1C)c1cccc(F)c1 ZINC000111272104 186385594 /nfs/dbraw/zinc/38/55/94/186385594.db2.gz NCYVRJIFBYCLIE-MFKMUULPSA-N 1 0 250.317 2.034 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc2ncccc2c1 ZINC000111272492 186386094 /nfs/dbraw/zinc/38/60/94/186386094.db2.gz LUKGIGLWAQVOOI-GXFFZTMASA-N 1 0 255.321 2.029 10 0 CEAERO CCC1CCC(CNC(=O)c2ccc(C[NH3+])cn2)CC1 ZINC000111282151 186387736 /nfs/dbraw/zinc/38/77/36/186387736.db2.gz GSLAHWPFHRTFII-UHFFFAOYSA-N 1 0 275.396 2.487 10 0 CEAERO Cc1cc(NC(=O)c2ccc(C[NH3+])cn2)ccc1F ZINC000111282381 186389721 /nfs/dbraw/zinc/38/97/21/186389721.db2.gz HOWBFJQCVUTLQK-UHFFFAOYSA-N 1 0 259.284 2.240 10 0 CEAERO C[C@@H]([NH3+])Cc1cc2ccccc2nc1Sc1nncn1C ZINC000111581865 186429435 /nfs/dbraw/zinc/42/94/35/186429435.db2.gz UFJXCVVAMLFALD-SNVBAGLBSA-N 1 0 299.403 2.404 10 0 CEAERO CC[C@]1(C(=O)N(C)Cc2scnc2C)CCC[NH2+]C1 ZINC000111668885 186438940 /nfs/dbraw/zinc/43/89/40/186438940.db2.gz NHKNSVQJVVJJMH-AWEZNQCLSA-N 1 0 281.425 2.190 10 0 CEAERO C(OC1CC[NH2+]CC1)c1nc(C2CCCCC2)no1 ZINC000111756689 186453712 /nfs/dbraw/zinc/45/37/12/186453712.db2.gz HTMLJIMXIIFFJD-UHFFFAOYSA-N 1 0 265.357 2.386 10 0 CEAERO COc1cccc(CC(=O)NC2(C[NH3+])CCC(C)CC2)c1 ZINC000111370289 186407260 /nfs/dbraw/zinc/40/72/60/186407260.db2.gz HHWMTBYTGOHQLL-UHFFFAOYSA-N 1 0 290.407 2.262 10 0 CEAERO Cc1cccc(C(=O)N[C@@]2(C[NH3+])CCC[C@@H](C)C2)c1O ZINC000111370083 186407293 /nfs/dbraw/zinc/40/72/93/186407293.db2.gz AVWQHKFATKIBRW-BZNIZROVSA-N 1 0 276.380 2.338 10 0 CEAERO [NH3+]Cc1ccc(Cl)cc1N1[C@@H]2CC[C@H]1CC(O)C2 ZINC000111382832 186410779 /nfs/dbraw/zinc/41/07/79/186410779.db2.gz DROWMGVZPUDRPS-FUNVUKJBSA-N 1 0 266.772 2.291 10 0 CEAERO [NH3+]CCc1cccc(-c2nc3ccccc3n2CCO)c1 ZINC000111404296 186413258 /nfs/dbraw/zinc/41/32/58/186413258.db2.gz DUGMWYNOUHQIEI-UHFFFAOYSA-N 1 0 281.359 2.197 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1(c2ccccc2)CC1 ZINC000113233842 186563358 /nfs/dbraw/zinc/56/33/58/186563358.db2.gz YTUCPHIMDTVKCZ-GDBMZVCRSA-N 1 0 284.403 2.413 10 0 CEAERO CC[NH2+][C@H](CC)[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000113130212 186554262 /nfs/dbraw/zinc/55/42/62/186554262.db2.gz JTLODLSZANQKJR-SWLSCSKDSA-N 1 0 298.452 2.429 10 0 CEAERO Cc1sc2ncnc(NC[C@H]([NH3+])C3CC3)c2c1C ZINC000113502690 186581688 /nfs/dbraw/zinc/58/16/88/186581688.db2.gz OUPLECDAWBITGA-JTQLQIEISA-N 1 0 262.382 2.457 10 0 CEAERO CC(C)[C@H]([NH3+])CNc1ncccc1Br ZINC000070010456 363018866 /nfs/dbraw/zinc/01/88/66/363018866.db2.gz GLMQHAQHZIPTIY-SECBINFHSA-N 1 0 258.163 2.239 10 0 CEAERO CO[C@H]1C[NH2+][C@@](C)(c2nc(-c3cccs3)no2)C1 ZINC000629676118 351463144 /nfs/dbraw/zinc/46/31/44/351463144.db2.gz CMHIXZOEXDASRT-PRHODGIISA-N 1 0 265.338 2.022 10 0 CEAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000629587604 351424154 /nfs/dbraw/zinc/42/41/54/351424154.db2.gz OCJBHAAPSIQPBG-GJZGRUSLSA-N 1 0 263.381 2.125 10 0 CEAERO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000120035139 186871167 /nfs/dbraw/zinc/87/11/67/186871167.db2.gz RSLWYBKYBOAFDQ-XQQFMLRXSA-N 1 0 252.402 2.412 10 0 CEAERO COc1cccnc1N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000630094701 351616575 /nfs/dbraw/zinc/61/65/75/351616575.db2.gz WTESIOPYKUYKRU-UWVGGRQHSA-N 1 0 289.301 2.054 10 0 CEAERO CS[C@@H](C)CNC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000120785991 186925535 /nfs/dbraw/zinc/92/55/35/186925535.db2.gz QUPNSNNJEHFGTM-GXTWGEPZSA-N 1 0 295.452 2.340 10 0 CEAERO CC(C)c1nc(-c2ccccn2)cc(N2CC[C@@H]([NH3+])C2)n1 ZINC000070455976 363085209 /nfs/dbraw/zinc/08/52/09/363085209.db2.gz HCAACCYAMTZWBQ-GFCCVEGCSA-N 1 0 283.379 2.199 10 0 CEAERO CO[C@H]1CN(C(=O)c2ccc(Cl)cc2C)[C@](C)(C[NH3+])C1 ZINC000630373047 351715496 /nfs/dbraw/zinc/71/54/96/351715496.db2.gz IRKDYYHVXHKXMG-DOMZBBRYSA-N 1 0 296.798 2.227 10 0 CEAERO CO[C@@H]1CN(Cc2ccc(F)c(Cl)c2)[C@@](C)(C[NH3+])C1 ZINC000630369786 351715736 /nfs/dbraw/zinc/71/57/36/351715736.db2.gz YCDFUASRSABSIB-SMDDNHRTSA-N 1 0 286.778 2.417 10 0 CEAERO CC(C)c1cccc(-n2nncc2CN2CCC[NH2+]CC2)c1 ZINC000070461007 363088461 /nfs/dbraw/zinc/08/84/61/363088461.db2.gz AVCGPDNDWGVUNB-UHFFFAOYSA-N 1 0 299.422 2.186 10 0 CEAERO [NH3+]C1(CNc2ccc(C(F)(F)F)cn2)CCOCC1 ZINC000630525502 351772606 /nfs/dbraw/zinc/77/26/06/351772606.db2.gz GCUXBZJZTNERKW-UHFFFAOYSA-N 1 0 275.274 2.020 10 0 CEAERO Cc1sc2ncnc(NCC3([NH3+])CCOCC3)c2c1C ZINC000630526902 351773401 /nfs/dbraw/zinc/77/34/01/351773401.db2.gz NPYHXEFNKOYYLT-UHFFFAOYSA-N 1 0 292.408 2.228 10 0 CEAERO Cc1ocnc1C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000121579832 186982294 /nfs/dbraw/zinc/98/22/94/186982294.db2.gz IFMVKBIWPKJJKO-CYBMUJFWSA-N 1 0 273.336 2.016 10 0 CEAERO C[C@@H]1CC[C@H](C(=O)NCCCC[NH+]2CCC(C)CC2)O1 ZINC000131681568 366077743 /nfs/dbraw/zinc/07/77/43/366077743.db2.gz KXPQCNRRCTYGPG-HUUCEWRRSA-N 1 0 282.428 2.182 10 0 CEAERO CCn1nccc1C[NH+]1CCC(Cn2cccn2)CC1 ZINC000122084404 187014622 /nfs/dbraw/zinc/01/46/22/187014622.db2.gz ZVJDBBRXEBSSFF-UHFFFAOYSA-N 1 0 273.384 2.012 10 0 CEAERO C[C@@H]1CC[C@@H](C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)O1 ZINC000131718270 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C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(Br)cc2)C1 ZINC000071140005 363109083 /nfs/dbraw/zinc/10/90/83/363109083.db2.gz ZNWTXAOXSUKMEX-GFCCVEGCSA-N 1 0 297.196 2.225 10 0 CEAERO Cc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)NC[C@H]1CCCO1 ZINC000249109713 539863264 /nfs/dbraw/zinc/86/32/64/539863264.db2.gz MSZBBMMGRVJINQ-RRFJBIMHSA-N 1 0 290.407 2.329 10 0 CEAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCCNC(=O)C2)cc1F ZINC000094955419 539888452 /nfs/dbraw/zinc/88/84/52/539888452.db2.gz PXUYTMQBQLWMIR-AAEUAGOBSA-N 1 0 264.344 2.453 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@H](C)c2cc(F)cc(F)c2)C1 ZINC000252739816 539897208 /nfs/dbraw/zinc/89/72/08/539897208.db2.gz HXCVGKHFSIMWIW-ABAIWWIYSA-N 1 0 284.350 2.336 10 0 CEAERO CCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000249947280 539963067 /nfs/dbraw/zinc/96/30/67/539963067.db2.gz HTKHGYOUVUBRKG-CLLJXQQHSA-N 1 0 250.386 2.023 10 0 CEAERO Cc1ccc(C[C@H](C)NC(=O)[C@H]2CCC[C@H]2C[NH3+])s1 ZINC000251225183 539972809 /nfs/dbraw/zinc/97/28/09/539972809.db2.gz 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CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)[C@H](C)C1CC1 ZINC000079495352 363608561 /nfs/dbraw/zinc/60/85/61/363608561.db2.gz XZLRUEJPSYOVML-TZMCWYRMSA-N 1 0 269.433 2.403 10 0 CEAERO CC[C@@H](NC(=O)[C@]1(C)CCC[NH2+]1)c1ccc(OC)cc1 ZINC000079514959 363611301 /nfs/dbraw/zinc/61/13/01/363611301.db2.gz NZWGSGVMEPMAPH-ZBFHGGJFSA-N 1 0 276.380 2.405 10 0 CEAERO COc1ccc(Cl)cc1NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079510558 363611444 /nfs/dbraw/zinc/61/14/44/363611444.db2.gz XFYNURNMFSSWTL-CYBMUJFWSA-N 1 0 268.744 2.429 10 0 CEAERO Cc1cc(N(C)C)ccc1NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000079513180 363611687 /nfs/dbraw/zinc/61/16/87/363611687.db2.gz NXRJGIRNYMJRBU-HNNXBMFYSA-N 1 0 261.369 2.142 10 0 CEAERO Cc1ccccc1OCCN(C)C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000136149537 366499068 /nfs/dbraw/zinc/49/90/68/366499068.db2.gz FMKYNGRZUDFZKD-QGZVFWFLSA-N 1 0 290.407 2.364 10 0 CEAERO [NH3+]C1(C(=O)Nc2ccc3ccccc3n2)CCCC1 ZINC000262670047 283402908 /nfs/dbraw/zinc/40/29/08/283402908.db2.gz QOJBGCSCNFIWNQ-UHFFFAOYSA-N 1 0 255.321 2.445 10 0 CEAERO CC(C)(C)c1ncc(C[NH2+]C[C@H]2CCC[C@H]2O)cn1 ZINC000311535742 540457555 /nfs/dbraw/zinc/45/75/55/540457555.db2.gz HVPNIGJCIAMCCJ-CHWSQXEVSA-N 1 0 263.385 2.025 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@H](C)c2cccs2)C1 ZINC000160727751 540638099 /nfs/dbraw/zinc/63/80/99/540638099.db2.gz JOKMTHCMDALDPN-NEPJUHHUSA-N 1 0 254.399 2.119 10 0 CEAERO C[C@H]1CC[C@H]([NH+]2CCC(C3N=NC(=O)O3)CC2)C1 ZINC000336267039 213104762 /nfs/dbraw/zinc/10/47/62/213104762.db2.gz XZMRRTFRAMERGG-ONGXEEELSA-N 1 0 251.330 2.143 10 0 CEAERO Fc1ccccc1CC[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000137538672 366544287 /nfs/dbraw/zinc/54/42/87/366544287.db2.gz MGZSZDNSTBZRLZ-AWEZNQCLSA-N 1 0 288.370 2.372 10 0 CEAERO [NH3+]C[C@H](C(=O)N1Cc2ccccc2C1)c1ccccc1 ZINC000061613327 283490415 /nfs/dbraw/zinc/49/04/15/283490415.db2.gz HMBQMIPOHKKYIX-INIZCTEOSA-N 1 0 266.344 2.271 10 0 CEAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H]1c1cccc(N)c1 ZINC000148200834 366580152 /nfs/dbraw/zinc/58/01/52/366580152.db2.gz OPRCLRJBUPMXTR-CYBMUJFWSA-N 1 0 277.368 2.150 10 0 CEAERO COc1cc(C)nc(N[C@@H]2CC[N@@H+](C3CCCC3)C2)n1 ZINC000329548725 202379072 /nfs/dbraw/zinc/37/90/72/202379072.db2.gz IUODWAQSUTVWJD-GFCCVEGCSA-N 1 0 276.384 2.222 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(Cl)c[nH]1 ZINC000176977558 189018261 /nfs/dbraw/zinc/01/82/61/189018261.db2.gz JVHUPTHIZOIHEZ-LLVKDONJSA-N 1 0 269.776 2.224 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cccc(OC)c1 ZINC000177038757 189023023 /nfs/dbraw/zinc/02/30/23/189023023.db2.gz WPHCJVRCZFAFJI-AWEZNQCLSA-N 1 0 276.380 2.252 10 0 CEAERO Cc1ccccc1C[N@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000177265088 189040121 /nfs/dbraw/zinc/04/01/21/189040121.db2.gz VAQBQNVSJNKTPM-NVXWUHKLSA-N 1 0 274.408 2.148 10 0 CEAERO COc1cccc([C@H](C)CC(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000177646638 189061067 /nfs/dbraw/zinc/06/10/67/189061067.db2.gz XHTDNFBBCJKARA-UKRRQHHQSA-N 1 0 290.407 2.351 10 0 CEAERO c1ccc(-c2noc(CN3CC[N@@H+]4CCCC[C@@H]4C3)n2)cc1 ZINC000177778061 189068956 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216260433 /nfs/dbraw/zinc/26/04/33/216260433.db2.gz UBYAOBSAKZMDFL-NEPJUHHUSA-N 1 0 254.399 2.489 10 0 CEAERO CC[C@H](C)Oc1cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)ccn1 ZINC000180253643 189246782 /nfs/dbraw/zinc/24/67/82/189246782.db2.gz XHVUTZXLUFLQMW-GXTWGEPZSA-N 1 0 291.395 2.035 10 0 CEAERO CCC[C@H](C(=O)Nc1ccc(C(=O)N(C)C)cc1)[NH+](C)C ZINC000180357482 189251666 /nfs/dbraw/zinc/25/16/66/189251666.db2.gz QRXVSSULARQNRA-CQSZACIVSA-N 1 0 291.395 2.057 10 0 CEAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1cc(F)c(F)c(F)c1 ZINC000180497725 189259093 /nfs/dbraw/zinc/25/90/93/189259093.db2.gz PANBDUUZNVGTJK-ONGXEEELSA-N 1 0 288.313 2.085 10 0 CEAERO CCc1nn(C)cc1C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000179987166 542259484 /nfs/dbraw/zinc/25/94/84/542259484.db2.gz FAMCZSBUMCVQNB-CQSZACIVSA-N 1 0 299.422 2.312 10 0 CEAERO CCN(C)C(=O)CC[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000180874085 189280961 /nfs/dbraw/zinc/28/09/61/189280961.db2.gz UHBDMXJTWBTWHP-LBPRGKRZSA-N 1 0 294.395 2.223 10 0 CEAERO Cc1ccc(C[C@@H](C)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000181215219 189291095 /nfs/dbraw/zinc/29/10/95/189291095.db2.gz HAERIBLOOSNUML-NVXWUHKLSA-N 1 0 286.419 2.480 10 0 CEAERO CC1CC[NH+](CCN2CCC(Cn3cccn3)CC2)CC1 ZINC000153828856 366739036 /nfs/dbraw/zinc/73/90/36/366739036.db2.gz QCNXODCDKYWGTM-UHFFFAOYSA-N 1 0 290.455 2.327 10 0 CEAERO C[C@@H](CCC(C)(C)C)NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000153834523 366739735 /nfs/dbraw/zinc/73/97/35/366739735.db2.gz GMSPZPDGSSZUQU-UONOGXRCSA-N 1 0 299.459 2.173 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccccc2Cl)C1 ZINC000082284811 363758651 /nfs/dbraw/zinc/75/86/51/363758651.db2.gz IEVZECLDORKJGM-JTQLQIEISA-N 1 0 252.745 2.116 10 0 CEAERO [NH3+]CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000011957204 361369685 /nfs/dbraw/zinc/36/96/85/361369685.db2.gz RWGJFJTYFKZIHD-UHFFFAOYSA-N 1 0 252.623 2.256 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc2cc[nH]c2c1 ZINC000083550368 363779453 /nfs/dbraw/zinc/77/94/53/363779453.db2.gz IHQBWBWKNJYDDI-IUODEOHRSA-N 1 0 283.375 2.477 10 0 CEAERO Cc1nccn1C[C@@H]1CCC[N@H+]1CCN1CCC(C)CC1 ZINC000154145977 366759416 /nfs/dbraw/zinc/75/94/16/366759416.db2.gz XEOZZTMSSDNCCC-KRWDZBQOSA-N 1 0 290.455 2.388 10 0 CEAERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1ccc(CO)cc1 ZINC000182827970 189336545 /nfs/dbraw/zinc/33/65/45/189336545.db2.gz DTCRGXMSRDCHPF-QGZVFWFLSA-N 1 0 285.391 2.348 10 0 CEAERO Cc1cccc2c(N(C)Cc3ncnn3C)cc[nH+]c12 ZINC000301667882 201125131 /nfs/dbraw/zinc/12/51/31/201125131.db2.gz MKWNCTMJFHADIO-UHFFFAOYSA-N 1 0 267.336 2.308 10 0 CEAERO c1ccc(Cc2nccc(N3CC[N@@H+]4CCC[C@@H]4C3)n2)cc1 ZINC000183926484 189371738 /nfs/dbraw/zinc/37/17/38/189371738.db2.gz AUTGKHJBNMUXLM-MRXNPFEDSA-N 1 0 294.402 2.352 10 0 CEAERO CCOC(=O)c1cccnc1N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000184129330 189376905 /nfs/dbraw/zinc/37/69/05/189376905.db2.gz LGBCMVYOKMNSPM-ZDUSSCGKSA-N 1 0 291.395 2.179 10 0 CEAERO CCn1cncc1C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000019578615 361544149 /nfs/dbraw/zinc/54/41/49/361544149.db2.gz DOFHJCFAGZSFRS-HIFRSBDPSA-N 1 0 263.385 2.030 10 0 CEAERO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(S(N)(=O)=O)cc2)o1 ZINC000019910258 361567079 /nfs/dbraw/zinc/56/70/79/361567079.db2.gz YPBJAHYMEHNQQT-LLVKDONJSA-N 1 0 294.376 2.086 10 0 CEAERO C[NH2+][C@H]1c2ccccc2N(C(=O)OC(C)(C)C)C[C@H]1O ZINC000212741822 283685879 /nfs/dbraw/zinc/68/58/79/283685879.db2.gz XMFDTGLPASMKMA-OLZOCXBDSA-N 1 0 278.352 2.063 10 0 CEAERO CC/C=C/CC[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000184526032 189388276 /nfs/dbraw/zinc/38/82/76/189388276.db2.gz OXUGCGDPHKUCDV-SNAWJCMRSA-N 1 0 276.428 2.284 10 0 CEAERO CCO[C@@H]1C[C@H](NC(=[NH2+])NC2CCCC2)C12CCOCC2 ZINC000184596018 189389871 /nfs/dbraw/zinc/38/98/71/189389871.db2.gz QVJSOBYGRMMOHF-UONOGXRCSA-N 1 0 295.427 2.017 10 0 CEAERO Cc1cc(Br)cnc1NC[C@H]1CCC[NH2+]1 ZINC000086708455 363839469 /nfs/dbraw/zinc/83/94/69/363839469.db2.gz IHXCSXIQQAYFIW-SNVBAGLBSA-N 1 0 270.174 2.316 10 0 CEAERO CCCC[C@@H](C[NH3+])Nc1ncncc1Br ZINC000087780149 363869656 /nfs/dbraw/zinc/86/96/56/363869656.db2.gz NAUHVJDYPKRAEA-QMMMGPOBSA-N 1 0 273.178 2.169 10 0 CEAERO CCN1CCC[C@@H]([NH2+]Cc2cccc(COC)c2)C1 ZINC000088553592 363905754 /nfs/dbraw/zinc/90/57/54/363905754.db2.gz CHKZOFLRHNCQMH-MRXNPFEDSA-N 1 0 262.397 2.407 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)OCC(F)(F)F ZINC000092677501 364096014 /nfs/dbraw/zinc/09/60/14/364096014.db2.gz IVKKJZSMHPCCLG-SECBINFHSA-N 1 0 268.279 2.101 10 0 CEAERO [NH3+]C[C@@H]1CCCN1C(=O)COc1ccc2ccccc2c1 ZINC000237949495 370762782 /nfs/dbraw/zinc/76/27/82/370762782.db2.gz FWTQVUSGAGBMRE-HNNXBMFYSA-N 1 0 284.359 2.168 10 0 CEAERO Cc1c(C[NH2+]CCCN2CCc3ccccc32)cnn1C ZINC000093649373 364208846 /nfs/dbraw/zinc/20/88/46/364208846.db2.gz NOMZKWVQYFUJTI-UHFFFAOYSA-N 1 0 284.407 2.271 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)NC[C@H]1CCCC12CC2 ZINC000638795848 370757377 /nfs/dbraw/zinc/75/73/77/370757377.db2.gz QVTVZJTVQZYKMH-QWHCGFSZSA-N 1 0 250.386 2.073 10 0 CEAERO CC(C)Cn1ccnc(NCCC2CC[NH+](C)CC2)c1=O ZINC000094152728 364254014 /nfs/dbraw/zinc/25/40/14/364254014.db2.gz HZOKAOWQULKKDR-UHFFFAOYSA-N 1 0 292.427 2.043 10 0 CEAERO Clc1nccc(COCC[C@@H]2CCCC[NH2+]2)n1 ZINC000095070314 364330029 /nfs/dbraw/zinc/33/00/29/364330029.db2.gz PGAAQEQWQKYOJK-JTQLQIEISA-N 1 0 255.749 2.179 10 0 CEAERO O=[S@](Cc1ccc(Cl)nc1)C[C@@H]1CCCC[NH2+]1 ZINC000095069896 364330249 /nfs/dbraw/zinc/33/02/49/364330249.db2.gz ZJXBCVSWCSNLTC-GTNSWQLSSA-N 1 0 272.801 2.126 10 0 CEAERO Clc1nc2ccccc2nc1OC[C@H]1CCC[NH2+]1 ZINC000095070469 364330819 /nfs/dbraw/zinc/33/08/19/364330819.db2.gz FGTJKCJESKCLPR-SECBINFHSA-N 1 0 263.728 2.414 10 0 CEAERO CNc1nc2ccccc2nc1NC[C@@H]1CCC[NH2+]C1 ZINC000095071391 364331465 /nfs/dbraw/zinc/33/14/65/364331465.db2.gz OCJHYZHBRJXXOQ-LLVKDONJSA-N 1 0 271.368 2.083 10 0 CEAERO COc1nc2ccccc2nc1N(C)C[C@H]1CCCC[NH2+]1 ZINC000095071668 364332269 /nfs/dbraw/zinc/33/22/69/364332269.db2.gz NIKKYDITHSEEOM-GFCCVEGCSA-N 1 0 286.379 2.217 10 0 CEAERO C[NH2+][C@H]1CCCN(Cc2ccc(Br)nc2)C1 ZINC000095071500 364332346 /nfs/dbraw/zinc/33/23/46/364332346.db2.gz BOLWZZVCMVGJJL-NSHDSACASA-N 1 0 284.201 2.028 10 0 CEAERO C[NH2+][C@H]1CCCN(c2nc3ccccc3nc2NC2CC2)C1 ZINC000095071448 364332358 /nfs/dbraw/zinc/33/23/58/364332358.db2.gz CVBRBRQJCPAJBO-ZDUSSCGKSA-N 1 0 297.406 2.392 10 0 CEAERO O=[S@](C[C@@H]1CCC[NH2+]C1)c1nc2ccccc2s1 ZINC000095073625 364332585 /nfs/dbraw/zinc/33/25/85/364332585.db2.gz YEPBLEOTASASIF-MGNBDDOMSA-N 1 0 280.418 2.404 10 0 CEAERO [NH3+]C1CC2(C1)CCN(C(=O)OCc1ccccc1)C2 ZINC000095077310 364333159 /nfs/dbraw/zinc/33/31/59/364333159.db2.gz PMTZJGSQBBMRAP-UHFFFAOYSA-N 1 0 260.337 2.136 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1CCCC[C@@H]1C ZINC000094647845 364285613 /nfs/dbraw/zinc/28/56/13/364285613.db2.gz ILWZCMYZUQEODZ-REWJHTLYSA-N 1 0 252.402 2.317 10 0 CEAERO CC(C)CN(C(=O)[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000094847489 364303406 /nfs/dbraw/zinc/30/34/06/364303406.db2.gz PLKNUNUSUKXCGN-ZDUSSCGKSA-N 1 0 252.402 2.413 10 0 CEAERO C[NH+](C)C[C@H]1CN(Cc2cc(Cl)ccc2F)CCO1 ZINC000156647047 366836080 /nfs/dbraw/zinc/83/60/80/366836080.db2.gz CWAHIKVCCZEDCA-ZDUSSCGKSA-N 1 0 286.778 2.242 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cccc(F)c1N ZINC000156397824 366831683 /nfs/dbraw/zinc/83/16/83/366831683.db2.gz JUALQAMQWFDDRO-ZDUSSCGKSA-N 1 0 265.376 2.324 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(F)c1N ZINC000156399722 366832646 /nfs/dbraw/zinc/83/26/46/366832646.db2.gz ZPGXJLDRFQXQIS-WCQYABFASA-N 1 0 263.360 2.076 10 0 CEAERO CCC[C@H](C(=O)NC[C@@H](OC)c1ccccc1)[NH+](C)C ZINC000178651768 283785565 /nfs/dbraw/zinc/78/55/65/283785565.db2.gz WXFTXHUTKYENER-HUUCEWRRSA-N 1 0 278.396 2.221 10 0 CEAERO COC[C@H](C)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000103359451 364643040 /nfs/dbraw/zinc/64/30/40/364643040.db2.gz GBEJLHYZTYGAKH-KBPBESRZSA-N 1 0 294.395 2.205 10 0 CEAERO COC[C@@H](C)C(=O)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000103382234 364646248 /nfs/dbraw/zinc/64/62/48/364646248.db2.gz KOSZGFKORDPPAM-HIFRSBDPSA-N 1 0 288.391 2.280 10 0 CEAERO c1cn(CC[NH2+]Cc2ccnc3ccccc23)cn1 ZINC000111728528 364755130 /nfs/dbraw/zinc/75/51/30/364755130.db2.gz CFQFWNQPKQFOEV-UHFFFAOYSA-N 1 0 252.321 2.221 10 0 CEAERO Cc1ncc(/C=C/C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)s1 ZINC000112240432 364780808 /nfs/dbraw/zinc/78/08/08/364780808.db2.gz UNMWXASDFMAFBG-URWSZGRFSA-N 1 0 291.420 2.161 10 0 CEAERO CC(C)[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccccc1 ZINC000112453348 364808998 /nfs/dbraw/zinc/80/89/98/364808998.db2.gz XCIQZSKPROUCTN-HOTGVXAUSA-N 1 0 262.397 2.304 10 0 CEAERO CC(C)c1nccc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1 ZINC000113248500 364879006 /nfs/dbraw/zinc/87/90/06/364879006.db2.gz KRLVBOIRCIZIQR-QWHCGFSZSA-N 1 0 260.385 2.273 10 0 CEAERO COC(=O)c1cccc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000113271086 364882125 /nfs/dbraw/zinc/88/21/25/364882125.db2.gz PPTXHDUKSVZAPY-XJKSGUPXSA-N 1 0 288.391 2.142 10 0 CEAERO CCCCOCCCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113577699 364905818 /nfs/dbraw/zinc/90/58/18/364905818.db2.gz ROGKEEHERNMAPO-LSDHHAIUSA-N 1 0 297.443 2.071 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC1(C)CCCC1 ZINC000113619864 364907055 /nfs/dbraw/zinc/90/70/55/364907055.db2.gz HFDZDMNRXOVZBM-ZIAGYGMSSA-N 1 0 279.428 2.445 10 0 CEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000335739027 364911245 /nfs/dbraw/zinc/91/12/45/364911245.db2.gz AJRTWFXVDOBPEB-PMUOWJKOSA-N 1 0 278.318 2.364 10 0 CEAERO COc1cccc([C@H](C)C(=O)N[C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000193486830 189643869 /nfs/dbraw/zinc/64/38/69/189643869.db2.gz QMPOWUDLTIFKKP-ZOWXZIJZSA-N 1 0 276.380 2.055 10 0 CEAERO C[C@@H](CC(=O)N1CC[C@@H]([NH+](C)C)C1)c1cccc(F)c1 ZINC000116190127 365041969 /nfs/dbraw/zinc/04/19/69/365041969.db2.gz MYCQPPMOXDNFGZ-SWLSCSKDSA-N 1 0 278.371 2.482 10 0 CEAERO CC(=O)Nc1cccc(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000116320757 365051321 /nfs/dbraw/zinc/05/13/21/365051321.db2.gz OWGMSFXBIJDIAR-HNNXBMFYSA-N 1 0 298.390 2.368 10 0 CEAERO CCCCC[NH+]1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000117880280 365129808 /nfs/dbraw/zinc/12/98/08/365129808.db2.gz XYIDPSUKHUYJMB-UHFFFAOYSA-N 1 0 278.444 2.345 10 0 CEAERO CCc1nc(C)c(CN2CC[N@@H+]3CCCC[C@@H]3C2)o1 ZINC000335918692 365161398 /nfs/dbraw/zinc/16/13/98/365161398.db2.gz SHFRLCMHXRBYCF-CYBMUJFWSA-N 1 0 263.385 2.216 10 0 CEAERO Cc1cnn(C[C@@H]2C[N@H+](CCC3CCCC3)CCO2)c1 ZINC000119265949 365244324 /nfs/dbraw/zinc/24/43/24/365244324.db2.gz VDMIRRLGOJWIHB-INIZCTEOSA-N 1 0 277.412 2.473 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000042166305 283858565 /nfs/dbraw/zinc/85/85/65/283858565.db2.gz RXYQTBPZLRBYDW-RDBSUJKOSA-N 1 0 250.386 2.310 10 0 CEAERO C[N@H+](Cc1ccco1)[C@H]1CCCN(c2cccnn2)C1 ZINC000120167169 365383825 /nfs/dbraw/zinc/38/38/25/365383825.db2.gz GGCNDMRCCBRFAN-ZDUSSCGKSA-N 1 0 272.352 2.170 10 0 CEAERO c1coc(C[NH+]2CCC(Nc3cccnn3)CC2)c1 ZINC000120273907 365400982 /nfs/dbraw/zinc/40/09/82/365400982.db2.gz YLKZFMQNOHTRKZ-UHFFFAOYSA-N 1 0 258.325 2.146 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nc(C2CC2)no1 ZINC000245417677 370817632 /nfs/dbraw/zinc/81/76/32/370817632.db2.gz GEOSEDHESDAVCQ-STQMWFEESA-N 1 0 276.384 2.006 10 0 CEAERO Cc1nn(C)cc1C[NH2+]C(C)(C)CNC(=O)OC(C)(C)C ZINC000161941053 367122795 /nfs/dbraw/zinc/12/27/95/367122795.db2.gz LCBPQSDSJVIPLT-UHFFFAOYSA-N 1 0 296.415 2.121 10 0 CEAERO CC(C)[C@@H]([NH3+])CCN(C)c1ccnc2cccnc21 ZINC000341013891 367132524 /nfs/dbraw/zinc/13/25/24/367132524.db2.gz KIZVZOCATYCASC-LBPRGKRZSA-N 1 0 258.369 2.439 10 0 CEAERO Cc1cc(CN[C@@H](C)C[NH3+])sc1Br ZINC000162067889 367134330 /nfs/dbraw/zinc/13/43/30/367134330.db2.gz NAFQUANENQJHRS-ZETCQYMHSA-N 1 0 263.204 2.256 10 0 CEAERO Cc1ccc(C[C@@H](C)NC(=O)N2CC[C@@H]([NH+](C)C)C2)s1 ZINC000162122071 367139047 /nfs/dbraw/zinc/13/90/47/367139047.db2.gz WZTHCUGLTQOHNZ-DGCLKSJQSA-N 1 0 295.452 2.333 10 0 CEAERO CCC[C@@H](C(=O)NCc1ccc(COC)cc1)[NH+](C)C ZINC000161519326 367094136 /nfs/dbraw/zinc/09/41/36/367094136.db2.gz DHTKQQWSVDYHSH-HNNXBMFYSA-N 1 0 278.396 2.180 10 0 CEAERO CCC[C@@H]1C[C@@H]1NC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000162616952 367173492 /nfs/dbraw/zinc/17/34/92/367173492.db2.gz NTIUYSSOGMIKEJ-BNOWGMLFSA-N 1 0 252.402 2.317 10 0 CEAERO C[C@@H]1CN(C(=O)c2ccccc2C(F)(F)F)C[C@H]1C[NH3+] ZINC000638883915 370818671 /nfs/dbraw/zinc/81/86/71/370818671.db2.gz CIXJDNHQCCEZCO-NXEZZACHSA-N 1 0 286.297 2.372 10 0 CEAERO COc1cc(Cl)ccc1C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638885616 370819432 /nfs/dbraw/zinc/81/94/32/370819432.db2.gz CZHOUWMCYKXDGI-NXEZZACHSA-N 1 0 282.771 2.015 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(OC)cs1 ZINC000245435113 370819717 /nfs/dbraw/zinc/81/97/17/370819717.db2.gz SHUZZOWDLABLDE-NEPJUHHUSA-N 1 0 294.420 2.456 10 0 CEAERO C[C@@H]1CN(C(=O)c2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000638886356 370820589 /nfs/dbraw/zinc/82/05/89/370820589.db2.gz QPXFNFUGVSNNFN-KOLCDFICSA-N 1 0 297.196 2.116 10 0 CEAERO Cc1cc(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)sc1C ZINC000638889490 370822856 /nfs/dbraw/zinc/82/28/56/370822856.db2.gz VLJUSPFBPMYCPO-GXSJLCMTSA-N 1 0 252.383 2.032 10 0 CEAERO C[C@H]1CN(C(=O)c2cc(F)c(Cl)cc2F)C[C@@H]1C[NH3+] ZINC000638890872 370823799 /nfs/dbraw/zinc/82/37/99/370823799.db2.gz GEPNTHVGJAJESA-YUMQZZPRSA-N 1 0 288.725 2.285 10 0 CEAERO CCC[C@H](C(=O)N[C@@H](C)c1nc(C(C)(C)C)no1)[NH+](C)C ZINC000162353756 367154630 /nfs/dbraw/zinc/15/46/30/367154630.db2.gz YRVKFZDSXJKIAT-WDEREUQCSA-N 1 0 296.415 2.275 10 0 CEAERO C[C@@H]1CN(C(=O)c2cccc(F)c2Cl)C[C@H]1C[NH3+] ZINC000638891285 370824148 /nfs/dbraw/zinc/82/41/48/370824148.db2.gz UBXFUIKNWYKIGX-RKDXNWHRSA-N 1 0 270.735 2.146 10 0 CEAERO C[C@H]1CN(C(=O)CCOc2ccccc2Cl)C[C@@H]1C[NH3+] ZINC000638893167 370824804 /nfs/dbraw/zinc/82/48/04/370824804.db2.gz RFYVCDMSGUDNIL-RYUDHWBXSA-N 1 0 296.798 2.162 10 0 CEAERO C[C@@H]1CN(C(=O)c2ccc(Cl)c(F)c2)C[C@H]1C[NH3+] ZINC000638893178 370825312 /nfs/dbraw/zinc/82/53/12/370825312.db2.gz LVEMFSXAVOTHIL-PSASIEDQSA-N 1 0 270.735 2.146 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)NC1CCCCC1 ZINC000245475739 370827066 /nfs/dbraw/zinc/82/70/66/370827066.db2.gz SEECWBMAQFLXDA-GDBMZVCRSA-N 1 0 295.471 2.240 10 0 CEAERO C[NH+](C)C[C@@H](NC(=O)Cc1ccoc1)c1ccccc1 ZINC000163776629 367264715 /nfs/dbraw/zinc/26/47/15/367264715.db2.gz WIYHBTXKMXQAJJ-OAHLLOKOSA-N 1 0 272.348 2.241 10 0 CEAERO Cc1nn(C)c(C)c1C[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000341494510 367356324 /nfs/dbraw/zinc/35/63/24/367356324.db2.gz XJLKPHAYMMBBQR-GNXNZQSNSA-N 1 0 265.401 2.330 10 0 CEAERO Cc1n[nH]c(C)c1C[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000341494319 367356478 /nfs/dbraw/zinc/35/64/78/367356478.db2.gz WSCLOXAALHUCCF-UWVGGRQHSA-N 1 0 251.374 2.320 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H]2CCC[C@H](C)CC2)C1 ZINC000165915161 367315088 /nfs/dbraw/zinc/31/50/88/367315088.db2.gz NSJRQBIUESCQHK-RRFJBIMHSA-N 1 0 254.418 2.266 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)N[C@H]2CCc3cc(F)ccc32)C1 ZINC000170833836 367427852 /nfs/dbraw/zinc/42/78/52/367427852.db2.gz IEFJSMGCZSDLRB-ZFWWWQNUSA-N 1 0 291.370 2.159 10 0 CEAERO Cc1ccc(CNC(=O)N2CC[C@@H]([NH+](C)C)C2)c(C)c1 ZINC000170832078 367428257 /nfs/dbraw/zinc/42/82/57/367428257.db2.gz CRJVVCLECHMNAC-OAHLLOKOSA-N 1 0 275.396 2.149 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2cc(F)cc(F)c2)C1 ZINC000171073846 367471480 /nfs/dbraw/zinc/47/14/80/367471480.db2.gz YPHKNUXUSPPGHV-GFCCVEGCSA-N 1 0 269.295 2.133 10 0 CEAERO C[C@H](O)CN1CC[N@H+](Cc2cccc3[nH]ccc32)C[C@H]1C ZINC000245713841 370861996 /nfs/dbraw/zinc/86/19/96/370861996.db2.gz GLZRXZBNNWYJPU-KGLIPLIRSA-N 1 0 287.407 2.055 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)NCc2ccc(Cl)cc2)C1 ZINC000170861446 367434452 /nfs/dbraw/zinc/43/44/52/367434452.db2.gz LILIDXAXJQSLHV-CYBMUJFWSA-N 1 0 281.787 2.186 10 0 CEAERO CC(C)CC[C@@H](C)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170861911 367435026 /nfs/dbraw/zinc/43/50/26/367435026.db2.gz FBIZUVKCVNTNLW-CHWSQXEVSA-N 1 0 255.406 2.157 10 0 CEAERO C[C@@H](Oc1ccccc1Cl)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170867224 367436051 /nfs/dbraw/zinc/43/60/51/367436051.db2.gz BZQFPBIRGRBEHE-NEPJUHHUSA-N 1 0 296.798 2.270 10 0 CEAERO Cc1nc(C[C@@H]2CCC[N@H+](CCc3ccccn3)C2)no1 ZINC000171503593 367556007 /nfs/dbraw/zinc/55/60/07/367556007.db2.gz AUQLRJOICCWLIL-AWEZNQCLSA-N 1 0 286.379 2.270 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)c2cnc(-c3ccco3)s2)C1 ZINC000171541639 367562319 /nfs/dbraw/zinc/56/23/19/367562319.db2.gz JIAQXKCATDKCNH-JTQLQIEISA-N 1 0 291.376 2.179 10 0 CEAERO C[C@@H]1CN(Cc2ncc(-c3ccccc3)o2)C[C@@H]1C[NH3+] ZINC000631839229 367578972 /nfs/dbraw/zinc/57/89/72/367578972.db2.gz CCXJLSBKJLWIIE-OCCSQVGLSA-N 1 0 271.364 2.368 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCc1ccc(F)c(Cl)c1 ZINC000335537242 212233955 /nfs/dbraw/zinc/23/39/55/212233955.db2.gz YCSFVSFQKJPSPY-ONGXEEELSA-N 1 0 284.762 2.483 10 0 CEAERO Cc1nn(C)c2ncc(C[N@@H+]3CCS[C@@H](C)C3)cc12 ZINC000171687980 367592657 /nfs/dbraw/zinc/59/26/57/367592657.db2.gz CNEGSHZPNRWYRB-JTQLQIEISA-N 1 0 276.409 2.214 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nnc(-c2ccccc2)o1 ZINC000172081545 367670502 /nfs/dbraw/zinc/67/05/02/367670502.db2.gz CZTDICXASUNOMN-DZGCQCFKSA-N 1 0 298.390 2.405 10 0 CEAERO O=C(N1CC[N@@H+]2CCC[C@H]2C1)C1(c2cccc(F)c2)CC1 ZINC000172217400 367699395 /nfs/dbraw/zinc/69/93/95/367699395.db2.gz XKUQFIMDNSPTLF-HNNXBMFYSA-N 1 0 288.366 2.164 10 0 CEAERO C[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2)C[C@H]1N1CCOCC1 ZINC000245801917 370876148 /nfs/dbraw/zinc/87/61/48/370876148.db2.gz XYSARCPSKMTXQK-MLGOLLRUSA-N 1 0 296.361 2.117 10 0 CEAERO CC1(C)[C@@H]2C[N@@H+](C[C@H](O)COCc3ccccc3)C[C@@H]21 ZINC000172997926 367856687 /nfs/dbraw/zinc/85/66/87/367856687.db2.gz MSSRUSVGWXFNEW-HRCADAONSA-N 1 0 275.392 2.152 10 0 CEAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCn1cncn1 ZINC000358078028 370894615 /nfs/dbraw/zinc/89/46/15/370894615.db2.gz CLEZVJOXPNTFRP-HZSPNIEDSA-N 1 0 250.390 2.329 10 0 CEAERO Cc1cc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)cs1 ZINC000638994679 370894870 /nfs/dbraw/zinc/89/48/70/370894870.db2.gz QPXTTYDJPOWKQJ-RKDXNWHRSA-N 1 0 278.299 2.393 10 0 CEAERO CC[C@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccncc1 ZINC000173499585 367916520 /nfs/dbraw/zinc/91/65/20/367916520.db2.gz PXNFDQYAYXJVKH-CABCVRRESA-N 1 0 288.395 2.022 10 0 CEAERO Cc1ccc(-c2ocnc2C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000173500567 367916865 /nfs/dbraw/zinc/91/68/65/367916865.db2.gz XCMRSCUNVPJSHE-CQSZACIVSA-N 1 0 299.374 2.426 10 0 CEAERO O[C@H](CN1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1 ZINC000174786193 368067220 /nfs/dbraw/zinc/06/72/20/368067220.db2.gz NPZMUAMQFGOUCE-HUUCEWRRSA-N 1 0 280.799 2.153 10 0 CEAERO COc1cncc(CN2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)c1 ZINC000343869004 368049775 /nfs/dbraw/zinc/04/97/75/368049775.db2.gz OVSCVWMBARFYGM-DZGCQCFKSA-N 1 0 275.396 2.149 10 0 CEAERO CCN1CCO[C@H](C[NH2+]Cc2c(C)cccc2C)C1 ZINC000163660804 541636037 /nfs/dbraw/zinc/63/60/37/541636037.db2.gz MPSFBEHTTJRLTJ-OAHLLOKOSA-N 1 0 262.397 2.114 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccoc1 ZINC000174331568 368012453 /nfs/dbraw/zinc/01/24/53/368012453.db2.gz HTKWUZJLPWXSJT-UONOGXRCSA-N 1 0 277.368 2.048 10 0 CEAERO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCN(c3cccnn3)C2)C1 ZINC000174361399 368015385 /nfs/dbraw/zinc/01/53/85/368015385.db2.gz RRWDDEHSKBOJTI-MGPQQGTHSA-N 1 0 260.385 2.224 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccnc1C ZINC000175006917 368089173 /nfs/dbraw/zinc/08/91/73/368089173.db2.gz KBFHMOACZLGBAA-ZIAGYGMSSA-N 1 0 273.380 2.089 10 0 CEAERO CC[C@H](C)NC(=O)C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000176484511 368243825 /nfs/dbraw/zinc/24/38/25/368243825.db2.gz IMONQTWDXRDNNF-RYUDHWBXSA-N 1 0 292.379 2.023 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cc1cccc(C)c1 ZINC000177029254 368258029 /nfs/dbraw/zinc/25/80/29/368258029.db2.gz CTEYXKKKIRBCRF-INIZCTEOSA-N 1 0 274.408 2.480 10 0 CEAERO Cn1cc(CN2CC[N@@H+]3CCCC[C@@H]3C2)c(C(C)(C)C)n1 ZINC000179893098 368356668 /nfs/dbraw/zinc/35/66/68/368356668.db2.gz NKGCNOXGLRNHET-OAHLLOKOSA-N 1 0 290.455 2.388 10 0 CEAERO Cc1ccc(Br)cc1C[NH2+]C1COC1 ZINC000287275588 376192520 /nfs/dbraw/zinc/19/25/20/376192520.db2.gz BEIAFBBJAIZGQL-UHFFFAOYSA-N 1 0 256.143 2.246 10 0 CEAERO CCCCNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000052816797 541651452 /nfs/dbraw/zinc/65/14/52/541651452.db2.gz XBIHDDHFLYJBQK-AWEZNQCLSA-N 1 0 263.385 2.389 10 0 CEAERO C[C@H](NC[C@H](O)C[NH+]1CCCCC1)c1ccc(Cl)nc1 ZINC000181388740 368449980 /nfs/dbraw/zinc/44/99/80/368449980.db2.gz BSHJGCCUDDTGDN-JSGCOSHPSA-N 1 0 297.830 2.232 10 0 CEAERO C[C@@H]([NH2+]CC(=O)N(C)C)[C@@H](C)c1nc2ccccc2s1 ZINC000182185037 368532328 /nfs/dbraw/zinc/53/23/28/368532328.db2.gz DJQPWSUFVSWSAU-GHMZBOCLSA-N 1 0 291.420 2.466 10 0 CEAERO CCCC[C@H](C)[NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182350233 368556009 /nfs/dbraw/zinc/55/60/09/368556009.db2.gz GSYSYAJKUMYNSL-GXTWGEPZSA-N 1 0 292.427 2.392 10 0 CEAERO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CN(CC)CCO2)cc1 ZINC000163890978 541694230 /nfs/dbraw/zinc/69/42/30/541694230.db2.gz QRVSMPBXIDQRJP-YOEHRIQHSA-N 1 0 292.423 2.457 10 0 CEAERO C[C@H](CCNC(=O)N1CCS[C@@H](C)C1)[NH+]1CCCCC1 ZINC000182660215 368575989 /nfs/dbraw/zinc/57/59/89/368575989.db2.gz CCYVEBGTBJAGPB-KGLIPLIRSA-N 1 0 299.484 2.398 10 0 CEAERO CC(C)Cn1ncnc1CN1CCC(c2cc[nH]n2)CC1 ZINC000182729697 368584638 /nfs/dbraw/zinc/58/46/38/368584638.db2.gz BROMIJGYASXOQV-UHFFFAOYSA-N 1 0 288.399 2.037 10 0 CEAERO CCN1CCC[C@H]([NH2+][C@@H](C)c2cccc(CO)c2)C1 ZINC000183230709 368618530 /nfs/dbraw/zinc/61/85/30/368618530.db2.gz KUBPGLBBYPXAQH-BBRMVZONSA-N 1 0 262.397 2.314 10 0 CEAERO CCN1CCC[C@@H]([NH2+][C@@H](C)CC(=O)OC(C)(C)C)C1 ZINC000183712680 368643931 /nfs/dbraw/zinc/64/39/31/368643931.db2.gz XHZQUAAHOBDPTF-QWHCGFSZSA-N 1 0 270.417 2.181 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1C[C@@H]1C(C)C ZINC000185012878 368736799 /nfs/dbraw/zinc/73/67/99/368736799.db2.gz SXMCBMJCCGCCJD-MCIONIFRSA-N 1 0 254.418 2.371 10 0 CEAERO C[C@@H]1CC[C@H](C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)O1 ZINC000246100145 370907909 /nfs/dbraw/zinc/90/79/09/370907909.db2.gz WGNWNNFUDAIOQW-MGPQQGTHSA-N 1 0 282.428 2.181 10 0 CEAERO CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CC[C@@H](C)O2)c1 ZINC000246096813 370908104 /nfs/dbraw/zinc/90/81/04/370908104.db2.gz VWAUYIGYRSTYRQ-CJNGLKHVSA-N 1 0 290.407 2.322 10 0 CEAERO Cc1ccc(N2CCC[N@@H+]([C@@H]3C=CCCC3)CC2)nn1 ZINC000246270363 370938204 /nfs/dbraw/zinc/93/82/04/370938204.db2.gz QHWBZFLWTADVKO-OAHLLOKOSA-N 1 0 272.396 2.406 10 0 CEAERO CC[C@H](C)[C@H](C)NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246328895 370946448 /nfs/dbraw/zinc/94/64/48/370946448.db2.gz AQSYMHBCSREOMM-IHRRRGAJSA-N 1 0 267.417 2.301 10 0 CEAERO CC(C)(O)C[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000186051602 368912187 /nfs/dbraw/zinc/91/21/87/368912187.db2.gz MNUMWTDOWSVZSL-HNNXBMFYSA-N 1 0 263.381 2.091 10 0 CEAERO O=C(NCc1ccccc1Cl)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634735853 368849921 /nfs/dbraw/zinc/84/99/21/368849921.db2.gz SDPJZWYRZOFMES-WFASDCNBSA-N 1 0 278.783 2.346 10 0 CEAERO CC(C)(O)C[NH+]1CCC(O)(c2c(F)cccc2F)CC1 ZINC000186479819 368980653 /nfs/dbraw/zinc/98/06/53/368980653.db2.gz YMJKLNUHJXDFKZ-UHFFFAOYSA-N 1 0 285.334 2.019 10 0 CEAERO CSCCCCCNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 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C[C@H]1CN(Cc2cc(F)cc3cccnc32)C[C@H]1[NH3+] ZINC000261569886 371653951 /nfs/dbraw/zinc/65/39/51/371653951.db2.gz NTOZCVCVWGLFSD-IINYFYTJSA-N 1 0 259.328 2.153 10 0 CEAERO C[C@H]1CN(CCOc2ccc3ccccc3c2)C[C@H]1[NH3+] ZINC000261632424 371686508 /nfs/dbraw/zinc/68/65/08/371686508.db2.gz DGXWAWFNRRUCSH-SUMWQHHRSA-N 1 0 270.376 2.498 10 0 CEAERO Fc1ccccc1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000261845309 371749581 /nfs/dbraw/zinc/74/95/81/371749581.db2.gz ASSHNRUKXVVHHJ-UAGQMJEPSA-N 1 0 292.398 2.115 10 0 CEAERO COc1ccc(CN2C[C@@H](C)[C@@H]([NH3+])C2)c(Cl)c1 ZINC000262148149 371830145 /nfs/dbraw/zinc/83/01/45/371830145.db2.gz ZPPVZOBMBFZVEW-RNCFNFMXSA-N 1 0 254.761 2.128 10 0 CEAERO CC(C)([NH3+])CN1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000261998005 371795183 /nfs/dbraw/zinc/79/51/83/371795183.db2.gz TTYIPUUNDVBZMK-VIFPVBQESA-N 1 0 290.333 2.345 10 0 CEAERO C[C@@H]1CN(Cc2cn(C)nc2C2CCCCC2)C[C@@H]1[NH3+] ZINC000262023662 371800507 /nfs/dbraw/zinc/80/05/07/371800507.db2.gz 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ZINC000643634690 373226741 /nfs/dbraw/zinc/22/67/41/373226741.db2.gz CWKPCPYKRJLMPI-NEPJUHHUSA-N 1 0 296.798 2.095 10 0 CEAERO C[C@@H](c1ccccc1Cl)N(C)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643634691 373227107 /nfs/dbraw/zinc/22/71/07/373227107.db2.gz CWKPCPYKRJLMPI-NWDGAFQWSA-N 1 0 296.798 2.095 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)[C@@H]2[NH2+]CC2(C)C)cc1F ZINC000644015665 373338884 /nfs/dbraw/zinc/33/88/84/373338884.db2.gz RQSATPGSQOSUFZ-MFKMUULPSA-N 1 0 264.344 2.309 10 0 CEAERO COC[C@H](C)[NH2+]CCN(Cc1cccs1)C1CC1 ZINC000053445748 522623525 /nfs/dbraw/zinc/62/35/25/522623525.db2.gz KPEDYPOZINPSPX-LBPRGKRZSA-N 1 0 268.426 2.337 10 0 CEAERO C[N@H+](Cc1ccc(Br)o1)[C@@H]1CCC[C@H]1O ZINC000289664946 197438884 /nfs/dbraw/zinc/43/88/84/197438884.db2.gz NIMNWTMSJVVZML-NXEZZACHSA-N 1 0 274.158 2.387 10 0 CEAERO Cc1ccc(O[C@H](C)CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000246250008 189926200 /nfs/dbraw/zinc/92/62/00/189926200.db2.gz JUHPZWMTIREILY-HZSPNIEDSA-N 1 0 276.380 2.006 10 0 CEAERO CCOCC[N@@H+]1CCN(c2nc(C)cnc2C)C[C@@H]1CC ZINC000273853905 373774075 /nfs/dbraw/zinc/77/40/75/373774075.db2.gz KNRRGDIGPRYIQX-HNNXBMFYSA-N 1 0 292.427 2.031 10 0 CEAERO Cc1cc(C)n(C[C@H]2CN(c3cc[nH+]c(C)c3)CCO2)n1 ZINC000274320877 373879254 /nfs/dbraw/zinc/87/92/54/373879254.db2.gz CVGTVXHEYQPWLE-MRXNPFEDSA-N 1 0 286.379 2.109 10 0 CEAERO C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)C1 ZINC000247117089 189936631 /nfs/dbraw/zinc/93/66/31/189936631.db2.gz MCSDVFUHLOLVPN-FRRDWIJNSA-N 1 0 294.345 2.279 10 0 CEAERO C[C@H](CC(=O)N[C@@H]1COc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000251691009 189971284 /nfs/dbraw/zinc/97/12/84/189971284.db2.gz WNBHKDGPJQPBRT-VNHYZAJKSA-N 1 0 288.391 2.262 10 0 CEAERO CCC[C@H]1C[C@H]1[NH2+]Cc1c(Br)cnn1C ZINC000278344135 374787371 /nfs/dbraw/zinc/78/73/71/374787371.db2.gz HDOGECBIDYFIJJ-WCBMZHEXSA-N 1 0 272.190 2.461 10 0 CEAERO CC[N@H+](CCOCCO)C[C@@H]1CCCCC1(F)F ZINC000381481831 375175113 /nfs/dbraw/zinc/17/51/13/375175113.db2.gz ALIXJINSAPJLPO-LBPRGKRZSA-N 1 0 265.344 2.143 10 0 CEAERO C[C@@H]1C[C@H]([NH3+])CN1c1ncc(Cl)cc1Br ZINC000385089925 375227863 /nfs/dbraw/zinc/22/78/63/375227863.db2.gz LSEGMKNZXZGWIB-SVRRBLITSA-N 1 0 290.592 2.423 10 0 CEAERO Cc1cc(N2C[C@@H]([NH3+])C[C@@H]2C)ncc1Br ZINC000385210404 375229257 /nfs/dbraw/zinc/22/92/57/375229257.db2.gz DJWKTJXUOMBHIR-IUCAKERBSA-N 1 0 270.174 2.078 10 0 CEAERO CCOC(=O)N(CC[NH3+])Cc1c[nH]c2ccc(OC)cc12 ZINC000253571813 189995215 /nfs/dbraw/zinc/99/52/15/189995215.db2.gz PKSMAGQCCPXBPV-UHFFFAOYSA-N 1 0 291.351 2.094 10 0 CEAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)c1cc(F)cc(F)c1 ZINC000282432290 375483413 /nfs/dbraw/zinc/48/34/13/375483413.db2.gz TZZHUMNVDNGEBJ-RWEMILLDSA-N 1 0 268.307 2.283 10 0 CEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000282469897 375493081 /nfs/dbraw/zinc/49/30/81/375493081.db2.gz UQHUKVPWNBHUDE-CBAPKCEASA-N 1 0 258.774 2.158 10 0 CEAERO C[C@H](CCc1ccccc1)[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000282476845 375494537 /nfs/dbraw/zinc/49/45/37/375494537.db2.gz VBNGBWQDMJGDDF-NFAWXSAZSA-N 1 0 260.381 2.264 10 0 CEAERO Nc1ncnc2c1c(Cc1ccccc1)cn2[C@@H]1CC[NH2+]C1 ZINC000261506717 190039861 /nfs/dbraw/zinc/03/98/61/190039861.db2.gz AIGMZWGOQGGFFI-CQSZACIVSA-N 1 0 293.374 2.139 10 0 CEAERO O[C@]12CCCC[C@@H]1C[N@H+](CCOCC1CCC1)CC2 ZINC000419234467 376407053 /nfs/dbraw/zinc/40/70/53/376407053.db2.gz MBGLWPVISKZJIF-CVEARBPZSA-N 1 0 267.413 2.430 10 0 CEAERO Cc1ccc(CN2C[C@H]3CCCC[N@H+]3C[C@@H]2C)nc1 ZINC000334322099 206367363 /nfs/dbraw/zinc/36/73/63/206367363.db2.gz IKXWPBCFWORXBS-GOEBONIOSA-N 1 0 259.397 2.449 10 0 CEAERO CCn1nc(C)c([C@@H](C)NC[C@H](C)C[NH+](C)C)c1C ZINC000311821738 376689004 /nfs/dbraw/zinc/68/90/04/376689004.db2.gz NITIYLCIKWRCLU-NWDGAFQWSA-N 1 0 266.433 2.368 10 0 CEAERO Cc1cc(C(C)C)nc(N2CC[C@]3(CC[NH2+]C3)C2)n1 ZINC000311901184 376693755 /nfs/dbraw/zinc/69/37/55/376693755.db2.gz YCFVOXLCOSWPKG-HNNXBMFYSA-N 1 0 260.385 2.098 10 0 CEAERO CCN1CC[C@H]([NH2+][C@H](C)c2cccc(NC(C)=O)c2)C1 ZINC000328509330 376852353 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C[C@H]1CN(CCCc2nc(-c3cccs3)no2)C[C@H]1[NH3+] ZINC000300164632 379154094 /nfs/dbraw/zinc/15/40/94/379154094.db2.gz FGIHRMWFAPICQB-WDEREUQCSA-N 1 0 292.408 2.010 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2CO)C12CCC2 ZINC000300413595 379169757 /nfs/dbraw/zinc/16/97/57/379169757.db2.gz BQHDRLIFUIHWAF-CBBWQLFWSA-N 1 0 267.413 2.475 10 0 CEAERO CC[C@@H](CSC)N(C)Cc1ncccc1C(=O)OC ZINC000302290858 379351682 /nfs/dbraw/zinc/35/16/82/379351682.db2.gz GGPKNFFSHYOCIU-NSHDSACASA-N 1 0 282.409 2.442 10 0 CEAERO CO[C@H](C)CNc1cc(N2CCC[C@H](C)C2)ncn1 ZINC000302701992 379427956 /nfs/dbraw/zinc/42/79/56/379427956.db2.gz XPNXNRMRQRGBTP-NWDGAFQWSA-N 1 0 264.373 2.160 10 0 CEAERO Cc1n[nH]cc1[C@@H](C)[NH2+][C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181090446 542270619 /nfs/dbraw/zinc/27/06/19/542270619.db2.gz QZOLQKRYDCAPNL-ZYHUDNBSSA-N 1 0 288.399 2.099 10 0 CEAERO C[C@@H]1C[C@@H](O)C[N@H+](Cc2nc3ccccc3s2)C1 ZINC000334826073 207146257 /nfs/dbraw/zinc/14/62/57/207146257.db2.gz JZXGIEVBBWOGPK-GHMZBOCLSA-N 1 0 262.378 2.499 10 0 CEAERO CC[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1nccn1C ZINC000183012092 542286171 /nfs/dbraw/zinc/28/61/71/542286171.db2.gz AFVINJHRZMLYFO-AVGNSLFASA-N 1 0 251.374 2.012 10 0 CEAERO Cc1cc(C)nc(NC(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000334874122 207225119 /nfs/dbraw/zinc/22/51/19/207225119.db2.gz WZOSASSRPJGKGX-GFCCVEGCSA-N 1 0 276.384 2.290 10 0 CEAERO C[C@H](CS(C)(=O)=O)[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000183258163 542290090 /nfs/dbraw/zinc/29/00/90/542290090.db2.gz NVQAQUUAJKVMNP-YGRLFVJLSA-N 1 0 285.384 2.226 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](CO)CC2)C12CCOCC2 ZINC000186386353 542309772 /nfs/dbraw/zinc/30/97/72/542309772.db2.gz IMEQFZVENIUDJI-XUWVNRHRSA-N 1 0 297.439 2.101 10 0 CEAERO CCC(=O)Nc1cccc(NC(=O)[C@@H]2CCC[NH2+]C2)c1C ZINC000037044740 184539517 /nfs/dbraw/zinc/53/95/17/184539517.db2.gz DJQYEVHAFGRAFQ-GFCCVEGCSA-N 1 0 289.379 2.282 10 0 CEAERO CCCOc1cccc([C@@H]2[C@@H]([NH3+])CCC(=O)N2CC)c1 ZINC000070985781 184574572 /nfs/dbraw/zinc/57/45/72/184574572.db2.gz RDJLZQWHFBKBGY-GOEBONIOSA-N 1 0 276.380 2.486 10 0 CEAERO C[C@@H](OC[C@@H](O)C[NH2+]CC(C)(C)N(C)C)c1ccccc1 ZINC000043411380 184559985 /nfs/dbraw/zinc/55/99/85/184559985.db2.gz DOUKNKYQKOIOGR-ZBFHGGJFSA-N 1 0 294.439 2.055 10 0 CEAERO Cc1ccnc(SCCOc2ccc(C(N)=[NH2+])cc2)n1 ZINC000051331690 184565717 /nfs/dbraw/zinc/56/57/17/184565717.db2.gz VIRPSCCPEIBVJS-UHFFFAOYSA-N 1 0 288.376 2.240 10 0 CEAERO CNC(=O)[C@H](C)Sc1ccc([C@H](C)[NH2+]C)cc1 ZINC000079580285 184593979 /nfs/dbraw/zinc/59/39/79/184593979.db2.gz FNQZFDUOEMSKIX-UWVGGRQHSA-N 1 0 252.383 2.194 10 0 CEAERO CC[NH2+][C@](CO)(CN(CC)c1ccccc1)C1CC1 ZINC000085239250 184607235 /nfs/dbraw/zinc/60/72/35/184607235.db2.gz ULJXWOMEPISACH-INIZCTEOSA-N 1 0 262.397 2.264 10 0 CEAERO CC[C@H](C)[S@@](=O)[C@@H]1Cc2ccc(OC)cc2[C@@H]1[NH3+] ZINC000092859406 184632677 /nfs/dbraw/zinc/63/26/77/184632677.db2.gz WWRUOZDODIPTRZ-WVNJSLPRSA-N 1 0 267.394 2.167 10 0 CEAERO CC[NH2+]Cc1ccccc1N(CC)CC(C)(C)O ZINC000092971269 184639791 /nfs/dbraw/zinc/63/97/91/184639791.db2.gz FFQBQMQFHBCEME-UHFFFAOYSA-N 1 0 250.386 2.393 10 0 CEAERO CCN(CC(C)(C)O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000092985568 184641135 /nfs/dbraw/zinc/64/11/35/184641135.db2.gz KXFHZUWZKFCOFE-LLVKDONJSA-N 1 0 279.384 2.331 10 0 CEAERO Cc1ccc(CN(C(=O)[C@@H]2CC[NH2+][C@@H]2C)C2CC2)cc1 ZINC000092954203 184637410 /nfs/dbraw/zinc/63/74/10/184637410.db2.gz SXVRRSXVSMNFHY-CZUORRHYSA-N 1 0 272.392 2.484 10 0 CEAERO Cc1nc(-c2cccc(N[C@@H]3CC[C@@H]([NH3+])C3)c2)n[nH]1 ZINC000093207756 184655617 /nfs/dbraw/zinc/65/56/17/184655617.db2.gz YOLIEOCWDAWIMQ-DGCLKSJQSA-N 1 0 257.341 2.072 10 0 CEAERO CCC[C@H](C[NH3+])[C@@H](O)c1ccc2c(c1)OCCCO2 ZINC000093083481 184646928 /nfs/dbraw/zinc/64/69/28/184646928.db2.gz AWRKQYYILSLLPH-DOMZBBRYSA-N 1 0 265.353 2.256 10 0 CEAERO CN(CCc1cccs1)c1cccc(C(N)=[NH2+])n1 ZINC000093268480 184659805 /nfs/dbraw/zinc/65/98/05/184659805.db2.gz DYMSMCJZLSRVCC-UHFFFAOYSA-N 1 0 260.366 2.106 10 0 CEAERO CCOc1cc2c(cc1[C@H]1CNC(=[NH2+])N1CC)O[C@H](C)C2 ZINC000093357933 184666968 /nfs/dbraw/zinc/66/69/68/184666968.db2.gz ROGQWAZXCLAZNX-ZWNOBZJWSA-N 1 0 289.379 2.100 10 0 CEAERO COc1ccc2cc([C@@]3(C)CNC(=[NH2+])N3C)ccc2c1 ZINC000093357645 184667579 /nfs/dbraw/zinc/66/75/79/184667579.db2.gz QXXRJKNYDYFRRF-MRXNPFEDSA-N 1 0 269.348 2.324 10 0 CEAERO CCCN1C(=[NH2+])NC[C@H]1c1ccccc1OC(F)F ZINC000093373182 184668166 /nfs/dbraw/zinc/66/81/66/184668166.db2.gz NSJICHYJQLJSSS-JTQLQIEISA-N 1 0 269.295 2.369 10 0 CEAERO Cc1ccccc1[C@@]1(C)CNC(=[NH2+])N1C[C@@H]1CCCO1 ZINC000093377932 184668507 /nfs/dbraw/zinc/66/85/07/184668507.db2.gz XYIHGTFWDMMSAO-XJKSGUPXSA-N 1 0 273.380 2.020 10 0 CEAERO C[C@@H]1C[C@@]2(C[NH+]=C(N)N2c2ccc(Cl)cc2)CCO1 ZINC000093390425 184670398 /nfs/dbraw/zinc/67/03/98/184670398.db2.gz UMFQVXPDZXHCBS-QMTHXVAHSA-N 1 0 279.771 2.412 10 0 CEAERO CCOc1ccccc1[C@]1(C)CNC(=[NH2+])N1CC1CC1 ZINC000093393692 184670566 /nfs/dbraw/zinc/67/05/66/184670566.db2.gz FYRBDRRIUFGASK-INIZCTEOSA-N 1 0 273.380 2.341 10 0 CEAERO [NH3+]CC1CCC(C(=O)Nc2ccc3nccnc3c2)CC1 ZINC000093425150 184674413 /nfs/dbraw/zinc/67/44/13/184674413.db2.gz OEYUZQZKMWGLIU-UHFFFAOYSA-N 1 0 284.363 2.333 10 0 CEAERO [NH3+][C@H]1CCCCC[C@@H]1S(=O)(=O)c1cc(F)ccc1F ZINC000081946006 177906632 /nfs/dbraw/zinc/90/66/32/177906632.db2.gz JKSOIBKSWRXYJD-RYUDHWBXSA-N 1 0 289.347 2.399 10 0 CEAERO CCCS(=O)(=O)C[C@@H]([NH2+]C)c1ccc(C)c(C)c1 ZINC000081941626 177904174 /nfs/dbraw/zinc/90/41/74/177904174.db2.gz PLZWWXDBRXFUHB-CQSZACIVSA-N 1 0 269.410 2.389 10 0 CEAERO CC(C)C[NH2+]CCCS(=O)(=O)c1ccc(F)cc1F ZINC000081933074 177901680 /nfs/dbraw/zinc/90/16/80/177901680.db2.gz BKEHORWTOCQXGQ-UHFFFAOYSA-N 1 0 291.363 2.374 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(OC)c(CS(=O)(=O)CC)c1 ZINC000081925485 177898053 /nfs/dbraw/zinc/89/80/53/177898053.db2.gz ASRQMRIYMOOUKZ-LLVKDONJSA-N 1 0 285.409 2.300 10 0 CEAERO C[NH2+][C@H](C)CS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000081960515 177908388 /nfs/dbraw/zinc/90/83/88/177908388.db2.gz JWEQVMLDNADLFJ-MRVPVSSYSA-N 1 0 281.299 2.087 10 0 CEAERO CC[C@H]1CC[C@H]([NH2+]C)[C@H](Sc2n[nH]c(=O)n2C2CC2)C1 ZINC000081880056 177874054 /nfs/dbraw/zinc/87/40/54/177874054.db2.gz FCBRNVGTDBHRAL-ZMLRMANQSA-N 1 0 296.440 2.165 10 0 CEAERO CC[NH2+][C@@H](CSCCO)c1cccc(OC)c1 ZINC000081822052 177865171 /nfs/dbraw/zinc/86/51/71/177865171.db2.gz SXSFWRMNZYFRKL-ZDUSSCGKSA-N 1 0 255.383 2.071 10 0 CEAERO C[C@@H](NC(=O)CC1C[NH2+]C1)c1ccc2c(c1)CCCC2 ZINC000081748254 177853454 /nfs/dbraw/zinc/85/34/54/177853454.db2.gz QTAUCTZGNCYVMO-GFCCVEGCSA-N 1 0 272.392 2.352 10 0 CEAERO O[C@@H]1CC[C@@H]2C[N@H+](CC[C@H]3CCCCO3)C[C@H]2C1 ZINC000412048462 285324394 /nfs/dbraw/zinc/32/43/94/285324394.db2.gz QFDNZVIHESJSRV-KBUPBQIOSA-N 1 0 253.386 2.038 10 0 CEAERO Cc1cc2ncnn2c(OCC2([NH3+])CCCCCC2)c1 ZINC000080901912 177725447 /nfs/dbraw/zinc/72/54/47/177725447.db2.gz MPVCIQORXBDOAZ-UHFFFAOYSA-N 1 0 274.368 2.468 10 0 CEAERO CC[NH2+][C@@H](C)c1csc(N2CCOC(C)(C)C2)n1 ZINC000080815261 177711225 /nfs/dbraw/zinc/71/12/25/177711225.db2.gz YBRJXGNDAVHHAW-JTQLQIEISA-N 1 0 269.414 2.429 10 0 CEAERO c1nnc(CCC[NH2+]Cc2c[nH]c3ccccc23)[nH]1 ZINC000080572024 177672361 /nfs/dbraw/zinc/67/23/61/177672361.db2.gz XCOCGOGKEDPEMD-UHFFFAOYSA-N 1 0 255.325 2.008 10 0 CEAERO CCC[C@@]1(C(=O)N[C@@H](C)c2nccs2)CC[NH2+]C1 ZINC000080270286 177634973 /nfs/dbraw/zinc/63/49/73/177634973.db2.gz RNIWAPDWXXWMCY-GXFFZTMASA-N 1 0 267.398 2.100 10 0 CEAERO O[C@H](CN1CC[N@@H+]2CCCC[C@@H]2C1)c1ccc(F)cc1 ZINC000177767119 285352343 /nfs/dbraw/zinc/35/23/43/285352343.db2.gz JWTOXNLIWLCZAM-HZPDHXFCSA-N 1 0 278.371 2.029 10 0 CEAERO COC(=O)[C@]1([NH3+])CC[C@H](Oc2cc(C)cc(C)c2)C1 ZINC000093845896 184731508 /nfs/dbraw/zinc/73/15/08/184731508.db2.gz NNPOGTSRQRUHHW-WFASDCNBSA-N 1 0 263.337 2.105 10 0 CEAERO CC[C@@H]([NH2+]CC(C)(C)S(C)(=O)=O)c1ccco1 ZINC000093520455 184687420 /nfs/dbraw/zinc/68/74/20/184687420.db2.gz BCWUZOJKOAXXPE-SNVBAGLBSA-N 1 0 259.371 2.144 10 0 CEAERO CC[NH2+][C@H]1CCC[C@@H]1CCN1C(=O)CC(C)(C)CC1=O ZINC000093557418 184690787 /nfs/dbraw/zinc/69/07/87/184690787.db2.gz INXQFQDOBVNVSC-OLZOCXBDSA-N 1 0 280.412 2.330 10 0 CEAERO C[NH2+][C@H]1CCC[C@H]1CCn1c2ccccc2oc1=O ZINC000093556662 184691276 /nfs/dbraw/zinc/69/12/76/184691276.db2.gz YNNCYERTGALLIX-RYUDHWBXSA-N 1 0 260.337 2.373 10 0 CEAERO CCOC(=O)[C@@]1(NC2CC2)CCC[C@@H]1CC[NH+]1CCCC1 ZINC000093583083 184692324 /nfs/dbraw/zinc/69/23/24/184692324.db2.gz QCWLGIGHEQSWOK-RHSMWYFYSA-N 1 0 294.439 2.326 10 0 CEAERO CC(C)[NH2+][C@]1(CO)CCC[C@@H]1CCOC[C@@H]1CCCCO1 ZINC000093620537 184697406 /nfs/dbraw/zinc/69/74/06/184697406.db2.gz VQIBMFXFASWAOJ-IKGGRYGDSA-N 1 0 299.455 2.491 10 0 CEAERO CCC[NH2+][C@@]1(CO)CCC[C@@H]1CCOC1CCOCC1 ZINC000093619686 184697539 /nfs/dbraw/zinc/69/75/39/184697539.db2.gz JJSPKZCEXZQVSL-GDBMZVCRSA-N 1 0 285.428 2.103 10 0 CEAERO C[NH2+][C@H]1CCC[C@@H]1CCS(=O)(=O)c1ccccc1OC ZINC000093624008 184697851 /nfs/dbraw/zinc/69/78/51/184697851.db2.gz FOQMUWBGSOKPQK-OLZOCXBDSA-N 1 0 297.420 2.247 10 0 CEAERO COC(=O)[C@]1([NH3+])CCC[C@@H](SC2CCCC2)C1 ZINC000093779782 184720360 /nfs/dbraw/zinc/72/03/60/184720360.db2.gz IVILCSBVDKIXMK-YPMHNXCESA-N 1 0 257.399 2.475 10 0 CEAERO CC[NH2+][C@@]1(CO)CCC[C@@H](n2cc(C(F)(F)F)cn2)C1 ZINC000093784024 184721271 /nfs/dbraw/zinc/72/12/71/184721271.db2.gz AQGWZHGNSJSZPK-NEPJUHHUSA-N 1 0 291.317 2.358 10 0 CEAERO CCC[NH2+][C@@]1(CO)CCC[C@@H](Sc2nncs2)C1 ZINC000093786736 184721989 /nfs/dbraw/zinc/72/19/89/184721989.db2.gz QAOFJJVGMBDCRC-PWSUYJOCSA-N 1 0 287.454 2.304 10 0 CEAERO CCOc1cccc(O[C@H]2CCC[C@]([NH3+])(CO)C2)c1 ZINC000093784422 184721996 /nfs/dbraw/zinc/72/19/96/184721996.db2.gz HREOZMPITXONPB-LSDHHAIUSA-N 1 0 265.353 2.097 10 0 CEAERO CCC(CC)(CO)C[N@@H+]1C[C@H]2CCCCN2C[C@@H]1C ZINC000094443125 184800860 /nfs/dbraw/zinc/80/08/60/184800860.db2.gz WZUQMSZYPBADTJ-LSDHHAIUSA-N 1 0 268.445 2.344 10 0 CEAERO CC[NH2+][C@H](Cc1cccc(F)c1)[C@@H]1CN(CC)CCO1 ZINC000093914566 184741224 /nfs/dbraw/zinc/74/12/24/184741224.db2.gz GRSIENCBABMNFF-CVEARBPZSA-N 1 0 280.387 2.067 10 0 CEAERO C[NH2+][C@@H](CSC[C@@H](O)CO)c1ccc(CC(C)C)cc1 ZINC000093961878 184746405 /nfs/dbraw/zinc/74/64/05/184746405.db2.gz DVYSCLXQBAGGGI-HOTGVXAUSA-N 1 0 297.464 2.232 10 0 CEAERO Cc1cc(F)cc([C@](O)([C@H](C)[NH3+])C(F)(F)F)c1 ZINC000093978263 184747857 /nfs/dbraw/zinc/74/78/57/184747857.db2.gz ZBZRCXZOCGNLPD-OIBJUYFYSA-N 1 0 251.223 2.231 10 0 CEAERO Cc1ccccc1S(=O)(=O)NC1C(C)(C)C([NH3+])C1(C)C ZINC000094006511 184749961 /nfs/dbraw/zinc/74/99/61/184749961.db2.gz GVCCMXXPYPYVRM-UHFFFAOYSA-N 1 0 296.436 2.035 10 0 CEAERO CCN(CC1CC[NH2+]CC1)C(=O)c1ccc2[nH]cnc2c1 ZINC000094022507 184750543 /nfs/dbraw/zinc/75/05/43/184750543.db2.gz GOYZMYMXPUWCGI-UHFFFAOYSA-N 1 0 286.379 2.025 10 0 CEAERO Cc1cc(NC(=O)C[NH2+]CC2CC2)ncc1Br ZINC000094063609 184752774 /nfs/dbraw/zinc/75/27/74/184752774.db2.gz AFOJOXWUGHRYID-UHFFFAOYSA-N 1 0 298.184 2.091 10 0 CEAERO FC(F)(F)COc1ccccc1N[C@@H]1CC[NH2+]C1 ZINC000094078812 184753879 /nfs/dbraw/zinc/75/38/79/184753879.db2.gz NEFDIGUSYGAYBM-SECBINFHSA-N 1 0 260.259 2.402 10 0 CEAERO CCn1c(C[C@@](C)([NH3+])CCOC)nc2ccccc21 ZINC000094169024 184758688 /nfs/dbraw/zinc/75/86/88/184758688.db2.gz LSAUYLBALJEVRB-HNNXBMFYSA-N 1 0 261.369 2.353 10 0 CEAERO CCCn1c(C[C@@H]([NH3+])COCC)nc2ccccc21 ZINC000094171780 184759148 /nfs/dbraw/zinc/75/91/48/184759148.db2.gz OMGJNDPUGOIOCP-GFCCVEGCSA-N 1 0 261.369 2.353 10 0 CEAERO C[C@@H]1OCC[C@@H]1C(=O)N1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000094175213 184759612 /nfs/dbraw/zinc/75/96/12/184759612.db2.gz BRKVOIHQBAPPMW-CWRNSKLLSA-N 1 0 294.439 2.182 10 0 CEAERO Oc1ccc(C[NH2+][C@H]2CCc3ccccc3C2)nc1 ZINC000094211542 184763545 /nfs/dbraw/zinc/76/35/45/184763545.db2.gz UPNHQJGXFCTNOG-AWEZNQCLSA-N 1 0 254.333 2.434 10 0 CEAERO CC[C@H]([NH3+])Cc1ccc(OCc2cccnc2)cn1 ZINC000094216147 184764287 /nfs/dbraw/zinc/76/42/87/184764287.db2.gz IAQOHEBFOBDSEN-ZDUSSCGKSA-N 1 0 257.337 2.335 10 0 CEAERO CC[C@@](C)([NH3+])C(=O)Nc1ccc(-c2cnco2)cc1 ZINC000094234071 184767501 /nfs/dbraw/zinc/76/75/01/184767501.db2.gz NEDIJWBDCGXQJG-CQSZACIVSA-N 1 0 259.309 2.408 10 0 CEAERO COC(=O)c1ccc(N[C@@H]2CCC[C@@H]2[NH3+])c(F)c1F ZINC000094272053 184773991 /nfs/dbraw/zinc/77/39/91/184773991.db2.gz SFHNBTTVXOKVGF-DTWKUNHWSA-N 1 0 270.279 2.043 10 0 CEAERO COC(=O)c1ccc(NC2(C[NH3+])CCCC2)c(F)c1F ZINC000094272138 184774395 /nfs/dbraw/zinc/77/43/95/184774395.db2.gz FWKLXJZCILLCRQ-UHFFFAOYSA-N 1 0 284.306 2.435 10 0 CEAERO COCC1CC[NH+]([C@@H]2CCCC(C)(C)[C@@H]2O)CC1 ZINC000094280530 184775121 /nfs/dbraw/zinc/77/51/21/184775121.db2.gz UOPDBLLZYRTVQQ-ZIAGYGMSSA-N 1 0 255.402 2.284 10 0 CEAERO CC[NH2+][C@@H]1[C@H](SCCS(C)(=O)=O)CCCC1(C)C ZINC000094282887 184775412 /nfs/dbraw/zinc/77/54/12/184775412.db2.gz TVZOGELSQQCLTJ-VXGBXAGGSA-N 1 0 293.498 2.321 10 0 CEAERO Cn1cc(C[N@H+](C)C[C@H]2CCCC(C)(C)[C@@H]2O)cn1 ZINC000094289573 184776158 /nfs/dbraw/zinc/77/61/58/184776158.db2.gz IZPCTSUSOGYRRX-ZIAGYGMSSA-N 1 0 265.401 2.039 10 0 CEAERO COC(=O)C(C)(C)COc1c(F)cc(C[NH3+])cc1F ZINC000094346281 184786134 /nfs/dbraw/zinc/78/61/34/184786134.db2.gz HOTZXHKEFKDEOG-UHFFFAOYSA-N 1 0 273.279 2.002 10 0 CEAERO CCOC(=O)CCC[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000094373680 184790716 /nfs/dbraw/zinc/79/07/16/184790716.db2.gz XQYHOQVGMIUXRG-ZDUSSCGKSA-N 1 0 269.385 2.411 10 0 CEAERO CC(C)[N@H+](CC(N)=S)[C@@H]1CCOC2(CCC2)C1 ZINC000094376156 184791170 /nfs/dbraw/zinc/79/11/70/184791170.db2.gz RMDDMJKGQLDGIL-LLVKDONJSA-N 1 0 256.415 2.085 10 0 CEAERO CCC[NH2+][C@@H]([C@@H](C)OC)[C@@H]1CCOC2(CCOCC2)C1 ZINC000094408170 184793890 /nfs/dbraw/zinc/79/38/90/184793890.db2.gz XIMKCWIJABJCJL-KFWWJZLASA-N 1 0 285.428 2.365 10 0 CEAERO Cc1nn([C@@H]2CCOC3(CCOCC3)C2)c(C)c1[C@H](C)[NH3+] ZINC000094412322 184794341 /nfs/dbraw/zinc/79/43/41/184794341.db2.gz DLGBPOQRWUPOTO-SMDDNHRTSA-N 1 0 293.411 2.420 10 0 CEAERO CC(C)[NH2+]C[C@@](C)(O)[C@H]1CCOC2(CCSCC2)C1 ZINC000094418877 184794897 /nfs/dbraw/zinc/79/48/97/184794897.db2.gz UFIMTSRJQSQFBG-UONOGXRCSA-N 1 0 287.469 2.428 10 0 CEAERO CCC[NH2+]C[C@@H](O)[C@H]1CCOC2(CCCCC2)C1 ZINC000094418445 184795105 /nfs/dbraw/zinc/79/51/05/184795105.db2.gz VZXBVUGKJIATIJ-UONOGXRCSA-N 1 0 255.402 2.476 10 0 CEAERO C[NH2+][C@@H](Cc1ncnn1C(C)C)c1ccc(Cl)cn1 ZINC000094844069 184879296 /nfs/dbraw/zinc/87/92/96/184879296.db2.gz JGIMKUNBFITRGO-LBPRGKRZSA-N 1 0 279.775 2.411 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@H]1C(=O)NCc1ccc(F)cc1F ZINC000094753336 184853061 /nfs/dbraw/zinc/85/30/61/184853061.db2.gz TWMKKNPKSOAHJK-TZMCWYRMSA-N 1 0 282.334 2.489 10 0 CEAERO C[C@@]1(C(=O)N(CCC[NH3+])C2CCCCC2)CCCO1 ZINC000094786318 184863945 /nfs/dbraw/zinc/86/39/45/184863945.db2.gz DRZFGBVXEMSZPD-HNNXBMFYSA-N 1 0 268.401 2.066 10 0 CEAERO C[C@H](C(=O)N1CCCCC1)[N@@H+]1CCc2ccc(N)cc2C1 ZINC000094792565 184865542 /nfs/dbraw/zinc/86/55/42/184865542.db2.gz LPRLDDHSCSIRAZ-CYBMUJFWSA-N 1 0 287.407 2.028 10 0 CEAERO C[C@@H]1SCCC[C@@]1([NH2+]C1CCCCC1)C(N)=O ZINC000094479651 184808317 /nfs/dbraw/zinc/80/83/17/184808317.db2.gz DNMSYZQLCWWEBD-GWCFXTLKSA-N 1 0 256.415 2.048 10 0 CEAERO C[C@H]1C[C@H]([NH3+])CN(C(=O)Nc2ccccc2F)C1 ZINC000094550094 184816343 /nfs/dbraw/zinc/81/63/43/184816343.db2.gz HNHNZJDSKMZCFK-UWVGGRQHSA-N 1 0 251.305 2.027 10 0 CEAERO C[C@H]1C[C@H]([NH3+])CN(C(=O)c2cccc3ncccc32)C1 ZINC000094549958 184817150 /nfs/dbraw/zinc/81/71/50/184817150.db2.gz PWZPBSAVFXVXGQ-RYUDHWBXSA-N 1 0 269.348 2.044 10 0 CEAERO CCCCN(C(=O)[C@H]1CC[C@@H](C[NH3+])O1)c1ccccc1 ZINC000094572513 184820195 /nfs/dbraw/zinc/82/01/95/184820195.db2.gz UJOZYJGJRAVMCZ-LSDHHAIUSA-N 1 0 276.380 2.326 10 0 CEAERO Cc1ccc([C@]2(C)CNC(=[NH2+])N2C[C@H]2CCCO2)cc1F ZINC000094842227 184878602 /nfs/dbraw/zinc/87/86/02/184878602.db2.gz BURJTMNOHLXCDT-CJNGLKHVSA-N 1 0 291.370 2.159 10 0 CEAERO Cc1cccn2nc(NCc3ccc(CC[NH3+])cc3)nc12 ZINC000094607758 184825269 /nfs/dbraw/zinc/82/52/69/184825269.db2.gz LEEUBBMLFHECII-UHFFFAOYSA-N 1 0 281.363 2.151 10 0 CEAERO [NH3+]C[C@@](O)(CSc1ccncc1)c1ccccc1 ZINC000094616523 184828095 /nfs/dbraw/zinc/82/80/95/184828095.db2.gz FOLPQPPGGCKIHL-CQSZACIVSA-N 1 0 260.362 2.020 10 0 CEAERO C[NH2+][C@@H](CC[C@@H]1CCCO1)Cc1ccc(OC)nc1 ZINC000094632522 184829795 /nfs/dbraw/zinc/82/97/95/184829795.db2.gz OKPMMZIGVPLETO-KBPBESRZSA-N 1 0 264.369 2.180 10 0 CEAERO CCC[NH2+][C@H](Cc1ccc(OC)nc1)c1cnn(C)c1 ZINC000094633342 184830908 /nfs/dbraw/zinc/83/09/08/184830908.db2.gz NLRRMCSDJXSUEA-CQSZACIVSA-N 1 0 274.368 2.107 10 0 CEAERO CS(=O)(=O)[C@@H]1CCC[C@H](C2([NH3+])Cc3ccccc3C2)C1 ZINC000094640118 184832301 /nfs/dbraw/zinc/83/23/01/184832301.db2.gz IPGZTXVBKXMRNK-LSDHHAIUSA-N 1 0 293.432 2.086 10 0 CEAERO CS(=O)(=O)[C@@H]1CCC[C@@H](/C=C/CC[NH2+]C2CC2)C1 ZINC000094645241 184832396 /nfs/dbraw/zinc/83/23/96/184832396.db2.gz RPHIFNJMFQBTSR-JYNSIYOZSA-N 1 0 271.426 2.288 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CCC[NH2+][C@@H]1C)c1ccc(F)cc1 ZINC000094647596 184833998 /nfs/dbraw/zinc/83/39/98/184833998.db2.gz SLURPQMQBHCKIH-MISXGVKJSA-N 1 0 264.344 2.391 10 0 CEAERO Cc1ncccc1OCC[NH2+]CCCOC(C)C ZINC000094674174 184838230 /nfs/dbraw/zinc/83/82/30/184838230.db2.gz WTOMFRXTBJRBQU-UHFFFAOYSA-N 1 0 252.358 2.174 10 0 CEAERO CC(C)C[NH2+]Cc1cnn(Cc2ccc(O)cc2)c1 ZINC000094689253 184839497 /nfs/dbraw/zinc/83/94/97/184839497.db2.gz VMBMSIVKTTUUNP-UHFFFAOYSA-N 1 0 259.353 2.383 10 0 CEAERO CC1(C)CCC[C@@](C[NH3+])(Cc2cccc(O)c2)[C@@H]1O ZINC000094691256 184840142 /nfs/dbraw/zinc/84/01/42/184840142.db2.gz LQVWGGKTBTZLEQ-ZBFHGGJFSA-N 1 0 263.381 2.451 10 0 CEAERO CC(C)C[C@@H](C[NH3+])C(=O)NCCCOCc1ccccc1 ZINC000094699553 184842783 /nfs/dbraw/zinc/84/27/83/184842783.db2.gz MMWLCPVYMRLIOI-INIZCTEOSA-N 1 0 292.423 2.331 10 0 CEAERO CC(C)C[C@H](C[NH3+])C(=O)N[C@H](C)CCc1ccco1 ZINC000094699472 184842793 /nfs/dbraw/zinc/84/27/93/184842793.db2.gz NHZBHFXCJMLJOU-CHWSQXEVSA-N 1 0 266.385 2.338 10 0 CEAERO CC(C)C[C@H](C[NH3+])C(=O)N(C)CCOc1cccc(F)c1 ZINC000094698756 184842852 /nfs/dbraw/zinc/84/28/52/184842852.db2.gz YEKTYXJFNFTUFC-CYBMUJFWSA-N 1 0 296.386 2.284 10 0 CEAERO Cc1cc(C)cc(CS(=O)(=O)[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000094719701 184846441 /nfs/dbraw/zinc/84/64/41/184846441.db2.gz LKZSZOLVQJXXDJ-CABCVRRESA-N 1 0 281.421 2.488 10 0 CEAERO Cc1cc(C)cc(CS(=O)(=O)[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000094719762 184846609 /nfs/dbraw/zinc/84/66/09/184846609.db2.gz SQRGVIULNRMAAE-UONOGXRCSA-N 1 0 267.394 2.098 10 0 CEAERO Nc1cc[nH+]cc1[C@@H](O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000094722943 184846737 /nfs/dbraw/zinc/84/67/37/184846737.db2.gz BVIXRYJDMZVYCY-OAHLLOKOSA-N 1 0 284.294 2.275 10 0 CEAERO Cc1nc(CN2CC[NH2+]CC23CCCC3)sc1C ZINC000094979282 184909990 /nfs/dbraw/zinc/90/99/90/184909990.db2.gz BPDDREWWELGENC-UHFFFAOYSA-N 1 0 265.426 2.478 10 0 CEAERO C[C@H]([NH3+])c1ccnc(-n2cc(C(F)(F)F)cn2)c1 ZINC000095000612 184912460 /nfs/dbraw/zinc/91/24/60/184912460.db2.gz SOFKHPKYTHOVIE-ZETCQYMHSA-N 1 0 256.231 2.306 10 0 CEAERO CC[C@@]1(C)C[NH2+]C(C)(C)CN1Cc1cccnc1OC ZINC000095011405 184915330 /nfs/dbraw/zinc/91/53/30/184915330.db2.gz VYDLYDSQYQHVGT-INIZCTEOSA-N 1 0 277.412 2.443 10 0 CEAERO C[C@@H]1CCC[C@@](C[NH3+])(Nc2ccc(C(=O)N(C)C)cn2)C1 ZINC000095014989 184916138 /nfs/dbraw/zinc/91/61/38/184916138.db2.gz HSPQWTYSMZAEGI-MLGOLLRUSA-N 1 0 290.411 2.103 10 0 CEAERO O=C(C[C@@H]1CCCCO1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000095032445 184918988 /nfs/dbraw/zinc/91/89/88/184918988.db2.gz HOADLJKUVNGLBE-SOUVJXGZSA-N 1 0 280.412 2.079 10 0 CEAERO CCCN(CC(C)(C)C[NH3+])C(=O)C[C@@H]1CCCCO1 ZINC000095032660 184918998 /nfs/dbraw/zinc/91/89/98/184918998.db2.gz IEQPILRTRXIQFC-ZDUSSCGKSA-N 1 0 270.417 2.169 10 0 CEAERO [NH3+]CCCc1nnc(Cc2c(F)cccc2F)s1 ZINC000095062101 184928877 /nfs/dbraw/zinc/92/88/77/184928877.db2.gz AHDBIMYDBUIEEY-UHFFFAOYSA-N 1 0 269.320 2.298 10 0 CEAERO CN(Cc1ccc(Br)nc1)C[C@@H]1CCC[NH2+]1 ZINC000095071006 184932976 /nfs/dbraw/zinc/93/29/76/184932976.db2.gz WPXNEQUBBCVZBH-NSHDSACASA-N 1 0 284.201 2.028 10 0 CEAERO CNc1nc2ccccc2nc1N(C)C[C@H]1CCC[NH2+]C1 ZINC000095071350 184933117 /nfs/dbraw/zinc/93/31/17/184933117.db2.gz NJIIHRRFQQLLIT-LBPRGKRZSA-N 1 0 285.395 2.107 10 0 CEAERO CSc1nc(Cl)cc(N(C)CC2CC[NH2+]CC2)n1 ZINC000095071747 184933566 /nfs/dbraw/zinc/93/35/66/184933566.db2.gz KLMQZLUSHDLKRR-UHFFFAOYSA-N 1 0 286.832 2.288 10 0 CEAERO [NH3+]C[C@@H]1CCCN1c1nc2ccccc2nc1NC1CC1 ZINC000095072609 184933645 /nfs/dbraw/zinc/93/36/45/184933645.db2.gz AFJTVWUSMNHXDR-LBPRGKRZSA-N 1 0 283.379 2.132 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1Oc1ncnc2c1CCCCC2 ZINC000094888420 184888647 /nfs/dbraw/zinc/88/86/47/184888647.db2.gz KCVPTZQNFFXYKP-SMDDNHRTSA-N 1 0 261.369 2.252 10 0 CEAERO CC[C@H](C)[NH+]1CCN(C(=O)c2ccc(C)cc2N)CC1 ZINC000094928621 184894640 /nfs/dbraw/zinc/89/46/40/184894640.db2.gz UAYHICFAIMYXBG-ZDUSSCGKSA-N 1 0 275.396 2.134 10 0 CEAERO CCN(Cc1cccc(C)n1)Cc1cc(N)cc[nH+]1 ZINC000094925905 184894883 /nfs/dbraw/zinc/89/48/83/184894883.db2.gz RJSLAZHKPQMXNI-UHFFFAOYSA-N 1 0 256.353 2.389 10 0 CEAERO CCC[NH2+][C@@H](CC)[C@H](C)c1nc(-c2ncc[nH]2)no1 ZINC000094940780 184898130 /nfs/dbraw/zinc/89/81/30/184898130.db2.gz QLXQUGCUJDRHNH-UWVGGRQHSA-N 1 0 263.345 2.341 10 0 CEAERO CCOC(=O)CC[NH2+]CCc1ccc(F)cc1C ZINC000094954402 184902852 /nfs/dbraw/zinc/90/28/52/184902852.db2.gz STLZSQGWXSKFBQ-UHFFFAOYSA-N 1 0 253.317 2.219 10 0 CEAERO CC[C@H](CCO)C[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000094953760 184902938 /nfs/dbraw/zinc/90/29/38/184902938.db2.gz CJMVYFKUTALDSX-RISCZKNCSA-N 1 0 267.344 2.127 10 0 CEAERO CC[C@H](CC[NH3+])CNC(=O)c1cccc(F)c1F ZINC000094962167 184906497 /nfs/dbraw/zinc/90/64/97/184906497.db2.gz MQPNZVSXABRJLZ-SECBINFHSA-N 1 0 256.296 2.070 10 0 CEAERO CCC[NH2+]C[C@@H]1CCCN1Cc1nc(C)cs1 ZINC000094967422 184907442 /nfs/dbraw/zinc/90/74/42/184907442.db2.gz KINUDUFNWXEKFI-LBPRGKRZSA-N 1 0 253.415 2.416 10 0 CEAERO Cc1ccccc1C1CC([NH2+][C@H]2CCC(=O)N[C@H]2C)C1 ZINC000282190030 195531739 /nfs/dbraw/zinc/53/17/39/195531739.db2.gz GEEMVXPZYGVCCW-USPMSXPRSA-N 1 0 272.392 2.498 10 0 CEAERO Cc1cc(C)c(C[NH2+][C@H]2CCC(=O)N[C@H]2C)cc1C ZINC000282338899 195580732 /nfs/dbraw/zinc/58/07/32/195580732.db2.gz MAXVQCKREMXVAY-ZFWWWQNUSA-N 1 0 260.381 2.369 10 0 CEAERO C(CN1CC[N@@H+]2CCCC[C@@H]2C1)OCC1CCCC1 ZINC000313704697 533360095 /nfs/dbraw/zinc/36/00/95/533360095.db2.gz OJLOJOOEEWSFFF-MRXNPFEDSA-N 1 0 266.429 2.363 10 0 CEAERO COc1cc(C)c(C[N@@H+]2C[C@H](C)C[C@H](O)C2)cc1OC ZINC000401510982 533573528 /nfs/dbraw/zinc/57/35/28/533573528.db2.gz VYMHAGIEQPDKRU-RISCZKNCSA-N 1 0 279.380 2.215 10 0 CEAERO C[C@@H](Nc1ccc(N2CCCCC2)nc1)[C@@H]1CC[NH2+]C1 ZINC000400359871 533554200 /nfs/dbraw/zinc/55/42/00/533554200.db2.gz CRHPZHKVFDCHFK-ZIAGYGMSSA-N 1 0 274.412 2.482 10 0 CEAERO C[C@@H]([NH2+]CCC1OCCO1)c1cccc(-n2ccnc2)c1 ZINC000189886981 130035821 /nfs/dbraw/zinc/03/58/21/130035821.db2.gz FYZMAOAOZYPPIN-CYBMUJFWSA-N 1 0 287.363 2.286 10 0 CEAERO C[C@H]([NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)c1cn[nH]c1 ZINC000229881353 130887748 /nfs/dbraw/zinc/88/77/48/130887748.db2.gz DPCGXZKYCZZJGQ-NSHDSACASA-N 1 0 294.399 2.460 10 0 CEAERO COc1ccc(F)cc1NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262411174 131219518 /nfs/dbraw/zinc/21/95/18/131219518.db2.gz PJADDWNWVCKACV-UWVGGRQHSA-N 1 0 266.316 2.161 10 0 CEAERO C[C@@H]([NH3+])c1c(F)cccc1N1C[C@@H](C)OC[C@H]1C ZINC000035786981 134804862 /nfs/dbraw/zinc/80/48/62/134804862.db2.gz DVZHFSHAIHGTRX-GMTAPVOTSA-N 1 0 252.333 2.459 10 0 CEAERO C[C@@H](C[NH2+]C1CC1)CN1C(=O)CCc2ccc(F)cc21 ZINC000070526761 134952327 /nfs/dbraw/zinc/95/23/27/134952327.db2.gz TUMMZWGEXISWGN-NSHDSACASA-N 1 0 276.355 2.493 10 0 CEAERO Cc1noc2ncnc(N3CCC[C@H](C[NH2+]C(C)C)C3)c12 ZINC000071194749 134960912 /nfs/dbraw/zinc/96/09/12/134960912.db2.gz WGXOOIFMLUFALT-GFCCVEGCSA-N 1 0 289.383 2.141 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C)CN1c1ccc(F)cc1OC ZINC000083393357 135018123 /nfs/dbraw/zinc/01/81/23/135018123.db2.gz ZPUYICLBKLOSCU-ZYHUDNBSSA-N 1 0 252.333 2.411 10 0 CEAERO [NH3+][C@@H]1CCN(C(=O)CC[C@@H]2CCCO2)c2ccccc21 ZINC000087203551 135049220 /nfs/dbraw/zinc/04/92/20/135049220.db2.gz JLPLWRLAZFXJRA-GXTWGEPZSA-N 1 0 274.364 2.382 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N1CCN(c2ccccc2C)CC1 ZINC000087532879 135050261 /nfs/dbraw/zinc/05/02/61/135050261.db2.gz DVCLQUWJMUCIAR-OAHLLOKOSA-N 1 0 289.423 2.019 10 0 CEAERO CC[C@@H]1CCCCN1c1cc(NN)[nH+]c(SC)n1 ZINC000087905607 135052099 /nfs/dbraw/zinc/05/20/99/135052099.db2.gz HHQQPWVCBNHHBM-SECBINFHSA-N 1 0 267.402 2.253 10 0 CEAERO [NH3+][C@H]1CCCN(c2cncc(OCC3CCC3)c2)C1 ZINC000088135553 135053178 /nfs/dbraw/zinc/05/31/78/135053178.db2.gz FIDPTAUFZIWFIN-ZDUSSCGKSA-N 1 0 261.369 2.188 10 0 CEAERO Fc1ccc(OCCC2CC2)c(N2CC[NH2+]CC2)c1 ZINC000088493363 135054812 /nfs/dbraw/zinc/05/48/12/135054812.db2.gz ADYNTWMODRMACM-UHFFFAOYSA-N 1 0 264.344 2.414 10 0 CEAERO C[C@H](CC1CC1)[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000089733508 135060504 /nfs/dbraw/zinc/06/05/04/135060504.db2.gz FMNMOYRETASNTO-TZMCWYRMSA-N 1 0 260.385 2.224 10 0 CEAERO C[C@H](CC[NH3+])SCC(=O)N1CCCc2ccccc21 ZINC000090354236 135063037 /nfs/dbraw/zinc/06/30/37/135063037.db2.gz PZOIKTKDMFWTTM-GFCCVEGCSA-N 1 0 278.421 2.436 10 0 CEAERO CC[C@H]1CN(c2ncncc2Br)[C@@H](CC)C[NH2+]1 ZINC000090781777 135064654 /nfs/dbraw/zinc/06/46/54/135064654.db2.gz SVOUFLJRHMIKRR-UWVGGRQHSA-N 1 0 299.216 2.206 10 0 CEAERO CCOc1cc(N2CCCC[C@H]2CC[NH2+]C)nc(C)n1 ZINC000090787923 135065570 /nfs/dbraw/zinc/06/55/70/135065570.db2.gz TZBVQMMQDDRIQV-ZDUSSCGKSA-N 1 0 278.400 2.152 10 0 CEAERO CCOc1cc(N2CCC(C[NH2+]C3CC3)CC2)nc(C)n1 ZINC000090788122 135065686 /nfs/dbraw/zinc/06/56/86/135065686.db2.gz GIXJVUQKOSBOKC-UHFFFAOYSA-N 1 0 290.411 2.152 10 0 CEAERO [NH3+]Cc1cc(N2C[C@H]3CC[C@@H](C2)O3)c2ccccc2n1 ZINC000090907706 135066713 /nfs/dbraw/zinc/06/67/13/135066713.db2.gz MXYVACALVJBXAY-BETUJISGSA-N 1 0 269.348 2.061 10 0 CEAERO CC[NH2+]Cc1cnc(N2C[C@H]3CC[C@@H](C2)O3)c(Cl)c1 ZINC000090907727 135066823 /nfs/dbraw/zinc/06/68/23/135066823.db2.gz PVWZRIIOKDWKDW-TXEJJXNPSA-N 1 0 281.787 2.212 10 0 CEAERO CCCO[C@@H]1CCCN(c2cncc(C[NH2+]C(C)C)n2)C1 ZINC000091421005 135069414 /nfs/dbraw/zinc/06/94/14/135069414.db2.gz RQFXBXHIUCQJDH-OAHLLOKOSA-N 1 0 292.427 2.370 10 0 CEAERO Nc1cc[nH+]c(CN2CCN(c3ccccc3F)CC2)c1 ZINC000092417856 135076171 /nfs/dbraw/zinc/07/61/71/135076171.db2.gz SMIJAOCSZBXJJV-UHFFFAOYSA-N 1 0 286.354 2.125 10 0 CEAERO Cc1cccc(CN2C[C@H]([NH3+])Cc3ccccc32)n1 ZINC000092431333 135076285 /nfs/dbraw/zinc/07/62/85/135076285.db2.gz GNXLRFRHBJAPBJ-CQSZACIVSA-N 1 0 253.349 2.280 10 0 CEAERO C[C@H]1[NH2+]CC[C@@H]1CN1CCN(c2ccccc2Cl)CC1 ZINC000092957712 135077406 /nfs/dbraw/zinc/07/74/06/135077406.db2.gz MENMDHMLGPQRLA-ZIAGYGMSSA-N 1 0 293.842 2.460 10 0 CEAERO C[C@H]1CCc2ccccc2N1C[C@@H]1Cc2nc[nH]c2C[NH2+]1 ZINC000092798445 135077704 /nfs/dbraw/zinc/07/77/04/135077704.db2.gz HFEBJQVEPKFDCH-JSGCOSHPSA-N 1 0 282.391 2.265 10 0 CEAERO COc1cc(OC)cc(N2CC[C@H]([NH3+])[C@@H](C)[C@@H]2C)c1 ZINC000093030942 135078444 /nfs/dbraw/zinc/07/84/44/135078444.db2.gz LRUUEJVMDWZIGX-PGUXBMHVSA-N 1 0 264.369 2.266 10 0 CEAERO NC(=O)c1c(F)cccc1N1CC[NH2+]CC12CCCCC2 ZINC000093409577 135080910 /nfs/dbraw/zinc/08/09/10/135080910.db2.gz QHBGWDGNXFWXAI-UHFFFAOYSA-N 1 0 291.370 2.037 10 0 CEAERO CC[C@@](C)([NH3+])C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000094231307 135084352 /nfs/dbraw/zinc/08/43/52/135084352.db2.gz CITLSDTWWLQIJX-OAHLLOKOSA-N 1 0 295.814 2.116 10 0 CEAERO [NH3+]Cc1ccc(-c2nc(-c3ccncc3)no2)cc1 ZINC000020022308 394470756 /nfs/dbraw/zinc/47/07/56/394470756.db2.gz AADGFDPXBZKQRB-UHFFFAOYSA-N 1 0 252.277 2.257 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ncccc1C ZINC000246473484 394516222 /nfs/dbraw/zinc/51/62/22/394516222.db2.gz KPVIMENJQHTHFT-GJZGRUSLSA-N 1 0 259.397 2.449 10 0 CEAERO C[C@H]1C[N@H+](Cc2ccccc2)CCN1c1ncc(N)s1 ZINC000306787166 394517997 /nfs/dbraw/zinc/51/79/97/394517997.db2.gz QCRPTMOLOZTZKT-LBPRGKRZSA-N 1 0 288.420 2.436 10 0 CEAERO NC1=[NH+]C[C@H]([C@@H]2CCCSC2)N1Cc1ccccc1 ZINC000306818068 394518615 /nfs/dbraw/zinc/51/86/15/394518615.db2.gz DTVCKTAHEUVEGX-ZIAGYGMSSA-N 1 0 275.421 2.329 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccccc2F)C1 ZINC000048768900 394528414 /nfs/dbraw/zinc/52/84/14/394528414.db2.gz YYYZIIIJTIRBPF-CYBMUJFWSA-N 1 0 279.359 2.109 10 0 CEAERO C[NH2+][C@H](C)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000048775886 394529374 /nfs/dbraw/zinc/52/93/74/394529374.db2.gz XBJFPAOQZDCCCI-CYBMUJFWSA-N 1 0 260.381 2.076 10 0 CEAERO CN(C)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000309739574 394531935 /nfs/dbraw/zinc/53/19/35/394531935.db2.gz VJHUKJRKNUDAQZ-BZUAXINKSA-N 1 0 287.407 2.168 10 0 CEAERO COC[C@H](C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000103428393 394715168 /nfs/dbraw/zinc/71/51/68/394715168.db2.gz DEUVYHNGZTVMCP-STQMWFEESA-N 1 0 296.436 2.284 10 0 CEAERO CCc1cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)oc1CC ZINC000121255404 394795335 /nfs/dbraw/zinc/79/53/35/394795335.db2.gz MQGSOCVNLYWKBR-GFCCVEGCSA-N 1 0 264.369 2.181 10 0 CEAERO CC[C@@](C)(O)C[N@@H+]1CC[C@H](CNc2cccc(C)n2)C1 ZINC000123485008 394828221 /nfs/dbraw/zinc/82/82/21/394828221.db2.gz CJUJRIUELWLBNX-GDBMZVCRSA-N 1 0 277.412 2.285 10 0 CEAERO CC(C)(C)c1ccc(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000415140993 394902403 /nfs/dbraw/zinc/90/24/03/394902403.db2.gz LXKNCMZOPONUJA-JKSUJKDBSA-N 1 0 274.408 2.157 10 0 CEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000282226264 394914126 /nfs/dbraw/zinc/91/41/26/394914126.db2.gz IHDIHDNYXKQQEL-JPUFDJIESA-N 1 0 276.355 2.328 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC1(C2CC2)CC1 ZINC000152287314 394992282 /nfs/dbraw/zinc/99/22/82/394992282.db2.gz RJOWNBNTGHZOIH-LSDHHAIUSA-N 1 0 291.439 2.445 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)CCSc1ccccc1 ZINC000423645310 394961836 /nfs/dbraw/zinc/96/18/36/394961836.db2.gz OEDBVEIRAIYMAF-DGCLKSJQSA-N 1 0 264.394 2.117 10 0 CEAERO CCC[C@H](C(=O)N1CC[C@H](Nc2ccccc2)C1)[NH+](C)C ZINC000161985574 395068430 /nfs/dbraw/zinc/06/84/30/395068430.db2.gz QZADQSGZSTTZTJ-JKSUJKDBSA-N 1 0 289.423 2.430 10 0 CEAERO C[C@@H]1CCN(c2cnc3ccccc3n2)C[C@@H]1C[NH3+] ZINC000163963365 395085066 /nfs/dbraw/zinc/08/50/66/395085066.db2.gz XGQPVCNZRNCTRB-NEPJUHHUSA-N 1 0 256.353 2.051 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CC=CCC1 ZINC000174978702 395130144 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ZINC000020515778 171232467 /nfs/dbraw/zinc/23/24/67/171232467.db2.gz WMMLQWRRERNSLO-UHFFFAOYSA-N 1 0 286.379 2.130 10 0 CEAERO Cc1ccc(CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000020563989 171253121 /nfs/dbraw/zinc/25/31/21/171253121.db2.gz JFTIVEZXLFFPNY-MRXNPFEDSA-N 1 0 287.407 2.375 10 0 CEAERO COc1cccc([C@H](Cn2cc[nH]c2=S)[NH+](C)C)c1 ZINC000020581178 171257034 /nfs/dbraw/zinc/25/70/34/171257034.db2.gz QPALMOJZRAFYOH-ZDUSSCGKSA-N 1 0 277.393 2.483 10 0 CEAERO CCCC1N=NC(=S)N1C[C@H]1CCC[N@@H+]1CC ZINC000020590102 171260762 /nfs/dbraw/zinc/26/07/62/171260762.db2.gz UFAYNMWQOYFFSC-SNVBAGLBSA-N 1 0 254.403 2.004 10 0 CEAERO Cc1cccc(S(=O)(=O)Nc2cccc(C[NH3+])c2)c1 ZINC000021954734 171341139 /nfs/dbraw/zinc/34/11/39/171341139.db2.gz UEEGBTFBTXZMBZ-UHFFFAOYSA-N 1 0 276.361 2.255 10 0 CEAERO [NH3+]Cc1cccc(NS(=O)(=O)c2cccc(F)c2)c1 ZINC000022149336 171358033 /nfs/dbraw/zinc/35/80/33/171358033.db2.gz HEDJCNVAKNPHEO-UHFFFAOYSA-N 1 0 280.324 2.085 10 0 CEAERO C[C@@H](C(=O)Nc1cc(Cl)ccc1N)[NH+]1CCCC1 ZINC000022154367 171361022 /nfs/dbraw/zinc/36/10/22/171361022.db2.gz SEWSEDYYYVVEQO-VIFPVBQESA-N 1 0 267.760 2.345 10 0 CEAERO COc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2C)c(N)c1 ZINC000022154347 171361278 /nfs/dbraw/zinc/36/12/78/171361278.db2.gz ZDCGZDNWERWOCA-LLVKDONJSA-N 1 0 277.368 2.090 10 0 CEAERO Cc1cc(C)n([C@H](C)C(=O)Nc2ccccc2C[NH3+])n1 ZINC000022166561 171366182 /nfs/dbraw/zinc/36/61/82/171366182.db2.gz UIJHJMXYXBEALC-GFCCVEGCSA-N 1 0 272.352 2.158 10 0 CEAERO Cc1ccsc1[C@@H](C[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000022175142 171369700 /nfs/dbraw/zinc/36/97/00/171369700.db2.gz MDPAFPAXNWVLIR-GRYCIOLGSA-N 1 0 254.399 2.166 10 0 CEAERO C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccccc1C[NH3+] ZINC000022177189 171370865 /nfs/dbraw/zinc/37/08/65/171370865.db2.gz WFTNUEOUTXDLMM-TXEJJXNPSA-N 1 0 282.409 2.097 10 0 CEAERO C[C@H](NS(=O)(=O)c1ccccc1C[NH3+])c1ccccc1 ZINC000022212400 171373769 /nfs/dbraw/zinc/37/37/69/171373769.db2.gz MUAJMRPQIMFYNI-LBPRGKRZSA-N 1 0 290.388 2.185 10 0 CEAERO CCN(C1CCCCC1)S(=O)(=O)c1cccc(C[NH3+])c1 ZINC000022223094 171379363 /nfs/dbraw/zinc/37/93/63/171379363.db2.gz ULXMCIMUYMJYEX-UHFFFAOYSA-N 1 0 296.436 2.489 10 0 CEAERO CCOc1ccc([C@@H]([NH3+])CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000022566250 171391821 /nfs/dbraw/zinc/39/18/21/171391821.db2.gz LPXFXYVTPRAHRH-ZENOOKHLSA-N 1 0 278.396 2.194 10 0 CEAERO CC[C@@H](C)NC(=O)COc1ccc([C@H](C)[NH2+]C)cc1 ZINC000034819087 171872054 /nfs/dbraw/zinc/87/20/54/171872054.db2.gz LCCBAWJFRLDYDC-NEPJUHHUSA-N 1 0 264.369 2.261 10 0 CEAERO NC(=[NH2+])c1ccc(OCCCc2ccncc2)cc1 ZINC000034958568 171904013 /nfs/dbraw/zinc/90/40/13/171904013.db2.gz SQYCSSCXMPHGPL-UHFFFAOYSA-N 1 0 255.321 2.377 10 0 CEAERO CCCNC(=O)[C@@H](C)[NH2+]Cc1ccc(OCC)cc1 ZINC000034993190 171920969 /nfs/dbraw/zinc/92/09/69/171920969.db2.gz BLXCKYIATFTIRA-GFCCVEGCSA-N 1 0 264.369 2.090 10 0 CEAERO CC[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000035112265 171986155 /nfs/dbraw/zinc/98/61/55/171986155.db2.gz ZZFXFVFPOJAMBQ-UHFFFAOYSA-N 1 0 258.115 2.287 10 0 CEAERO CCN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)CCc1ccco1 ZINC000035224755 172069772 /nfs/dbraw/zinc/06/97/72/172069772.db2.gz IGHWATOEAOUENV-STQMWFEESA-N 1 0 266.385 2.447 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)c1ccc(Cl)s1 ZINC000035252040 172082267 /nfs/dbraw/zinc/08/22/67/172082267.db2.gz XWEKJACKZWJAAS-SFYZADRCSA-N 1 0 258.774 2.331 10 0 CEAERO CC(C)(C)[C@H]([NH3+])c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000035411238 172182983 /nfs/dbraw/zinc/18/29/83/172182983.db2.gz FINVKIUIORHPCE-GFCCVEGCSA-N 1 0 261.325 2.380 10 0 CEAERO CC[NH2+]Cc1cccc(OC)c1OCCOCC ZINC000035413559 172186060 /nfs/dbraw/zinc/18/60/60/172186060.db2.gz ULCDTXJOTGBXQC-UHFFFAOYSA-N 1 0 253.342 2.220 10 0 CEAERO CC(C)[NH2+]Cc1c(N(C)C2CC2)nc2sccn12 ZINC000035430077 172198319 /nfs/dbraw/zinc/19/83/19/172198319.db2.gz ANCXOXVUJJGZIE-UHFFFAOYSA-N 1 0 264.398 2.492 10 0 CEAERO C[NH2+][C@@H](c1ccsc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000035488332 172223212 /nfs/dbraw/zinc/22/32/12/172223212.db2.gz QLRGAUDHCSIFBS-GFCCVEGCSA-N 1 0 259.334 2.227 10 0 CEAERO C[NH2+][C@H](c1ccc(C)o1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000035488328 172223294 /nfs/dbraw/zinc/22/32/94/172223294.db2.gz DLTXMAHPSPUPMD-ZDUSSCGKSA-N 1 0 257.293 2.066 10 0 CEAERO Cc1ccc(O[C@@H](C)C(=O)NC(C)C)c([C@H](C)[NH3+])c1 ZINC000035629315 172308843 /nfs/dbraw/zinc/30/88/43/172308843.db2.gz NQFFAFDCNCTQEU-RYUDHWBXSA-N 1 0 264.369 2.307 10 0 CEAERO Cc1ccc(OCC(=O)NC(C)(C)C)c([C@H](C)[NH3+])c1 ZINC000035629461 172309640 /nfs/dbraw/zinc/30/96/40/172309640.db2.gz ICFPANZSHPQEMZ-NSHDSACASA-N 1 0 264.369 2.308 10 0 CEAERO CC[NH2+]Cc1cc(Cl)cc(Cl)c1OCC(=O)NC ZINC000035662030 172340253 /nfs/dbraw/zinc/34/02/53/172340253.db2.gz CBMBOWCBRCCDNA-UHFFFAOYSA-N 1 0 291.178 2.228 10 0 CEAERO CC(C)[NH2+]C[C@H](O)CSc1cc(F)ccc1F ZINC000035676328 172346435 /nfs/dbraw/zinc/34/64/35/172346435.db2.gz ZTMTVHANYAOQMB-JTQLQIEISA-N 1 0 261.337 2.416 10 0 CEAERO COc1cc(C)cc(OC)c1OCC[NH2+]C(C)C ZINC000035679106 172349814 /nfs/dbraw/zinc/34/98/14/172349814.db2.gz UJOXVGLWDLZOSN-UHFFFAOYSA-N 1 0 253.342 2.389 10 0 CEAERO CCC(C)(C)[NH2+][C@H]1CS(=O)(=O)c2ccccc21 ZINC000035687790 172356109 /nfs/dbraw/zinc/35/61/09/172356109.db2.gz JOZBUYBKQHQZBG-NSHDSACASA-N 1 0 253.367 2.293 10 0 CEAERO O=S1(=O)C[C@@H]([NH2+]CC2CCCC2)c2ccccc21 ZINC000035688452 172356421 /nfs/dbraw/zinc/35/64/21/172356421.db2.gz RRUQNYPDGYIYGR-CYBMUJFWSA-N 1 0 265.378 2.295 10 0 CEAERO C[C@@H](NC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)c1ccncc1 ZINC000035693596 172362411 /nfs/dbraw/zinc/36/24/11/172362411.db2.gz ORPNXKMOTXVDCW-UQOMUDLDSA-N 1 0 273.380 2.180 10 0 CEAERO C[C@H]([NH2+]CC(=O)Nc1ccccc1Cl)[C@H]1CCCO1 ZINC000035735813 172388291 /nfs/dbraw/zinc/38/82/91/172388291.db2.gz XRDGCHJRQDICNX-GXFFZTMASA-N 1 0 282.771 2.436 10 0 CEAERO COC(=O)[C@@H](C)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000035759555 172398471 /nfs/dbraw/zinc/39/84/71/172398471.db2.gz YXYNJDAXEZHMRY-LBPRGKRZSA-N 1 0 296.798 2.271 10 0 CEAERO C[NH2+][C@@H]1C[C@@H](C)S(=O)(=O)c2ccc(Cl)cc21 ZINC000035760980 172399170 /nfs/dbraw/zinc/39/91/70/172399170.db2.gz FAUFXVUTKNVLJW-GMSGAONNSA-N 1 0 259.758 2.166 10 0 CEAERO C[NH2+][C@H]1c2cccc(Cl)c2S(=O)(=O)C[C@@H]1C ZINC000035761272 172399812 /nfs/dbraw/zinc/39/98/12/172399812.db2.gz WVNXRWIUNKBVDK-OIBJUYFYSA-N 1 0 259.758 2.024 10 0 CEAERO C[C@H]1COCCN1[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000035775078 172409974 /nfs/dbraw/zinc/40/99/74/172409974.db2.gz VPCWHIDFHCVEEA-GWCFXTLKSA-N 1 0 299.212 2.170 10 0 CEAERO CC[C@H](C)[NH2+][C@H]1CCS(=O)(=O)c2ccccc21 ZINC000037186496 173017261 /nfs/dbraw/zinc/01/72/61/173017261.db2.gz MRJZGFZYBCDSRD-JQWIXIFHSA-N 1 0 253.367 2.293 10 0 CEAERO CCC[NH2+][C@H]1CCN(CCc2ccc(F)cc2)C1 ZINC000037241125 173058215 /nfs/dbraw/zinc/05/82/15/173058215.db2.gz ZMIJKBJRZZCPPX-HNNXBMFYSA-N 1 0 250.361 2.442 10 0 CEAERO COC(=O)CC[NH2+][C@H](C)c1c(C)cc(C)nc1C ZINC000037252238 173064686 /nfs/dbraw/zinc/06/46/86/173064686.db2.gz BSGHGDDHZZVFNA-LLVKDONJSA-N 1 0 250.342 2.221 10 0 CEAERO CNC(=O)C[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000037254077 173065394 /nfs/dbraw/zinc/06/53/94/173065394.db2.gz CTOMQNHVUXQVNF-SNVBAGLBSA-N 1 0 270.785 2.213 10 0 CEAERO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H](C)C(N)=O ZINC000037261531 173071479 /nfs/dbraw/zinc/07/14/79/173071479.db2.gz CAUSTAVRHGRZLE-CBAPKCEASA-N 1 0 269.414 2.273 10 0 CEAERO COC1CCN([C@@H](C[NH3+])c2ccccc2Cl)CC1 ZINC000037266005 173074813 /nfs/dbraw/zinc/07/48/13/173074813.db2.gz CDVPOEOCRGLXAF-AWEZNQCLSA-N 1 0 268.788 2.451 10 0 CEAERO CC[C@@H]([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)C(C)C ZINC000037278071 173088306 /nfs/dbraw/zinc/08/83/06/173088306.db2.gz XMWSXZGSBJCABK-SMDDNHRTSA-N 1 0 284.425 2.419 10 0 CEAERO COc1ccc(NC(=O)[C@H]([NH3+])c2ccccc2)cc1F ZINC000037290827 173096047 /nfs/dbraw/zinc/09/60/47/173096047.db2.gz VEVAWEOLTKKSRO-CQSZACIVSA-N 1 0 274.295 2.473 10 0 CEAERO CCOc1cc2c(cc1C[NH2+]CCC(=O)OC)O[C@@H](C)C2 ZINC000037301304 173107466 /nfs/dbraw/zinc/10/74/66/173107466.db2.gz JNQMGUVFHHEQIQ-NSHDSACASA-N 1 0 293.363 2.061 10 0 CEAERO COC(=O)c1occc1CN[C@H](CC(C)C)C[NH+](C)C ZINC000037321660 173121632 /nfs/dbraw/zinc/12/16/32/173121632.db2.gz PQPIRIASCBJDDA-CYBMUJFWSA-N 1 0 282.384 2.132 10 0 CEAERO C[C@@H](C(=O)c1ccccc1)N1CCC([NH+](C)C)CC1 ZINC000037339736 173141618 /nfs/dbraw/zinc/14/16/18/173141618.db2.gz CJOFVJHWQLEVCF-ZDUSSCGKSA-N 1 0 260.381 2.284 10 0 CEAERO [NH3+]C1(c2noc(C(F)(F)F)n2)Cc2ccccc2C1 ZINC000037374879 173164715 /nfs/dbraw/zinc/16/47/15/173164715.db2.gz UWYCIZMHJVJYJQ-UHFFFAOYSA-N 1 0 269.226 2.041 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000037386459 173170388 /nfs/dbraw/zinc/17/03/88/173170388.db2.gz PUTSHPSCANNABK-SNVBAGLBSA-N 1 0 266.341 2.030 10 0 CEAERO CC(C)[NH2+]CC(=O)N[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000037396011 173176554 /nfs/dbraw/zinc/17/65/54/173176554.db2.gz YJERMZBRVBZUQF-NXEZZACHSA-N 1 0 266.307 2.222 10 0 CEAERO Nc1cc(C[NH+]2CCC(CO)CC2)ccc1Cl ZINC000037402478 173178752 /nfs/dbraw/zinc/17/87/52/173178752.db2.gz YWIZDMKMAHECGQ-UHFFFAOYSA-N 1 0 254.761 2.127 10 0 CEAERO CC(C)n1c2cccc(F)c2nc1[C@H]([NH3+])[C@H](C)O ZINC000037442862 173211789 /nfs/dbraw/zinc/21/17/89/173211789.db2.gz OEECBZDARFRIMI-GZMMTYOYSA-N 1 0 251.305 2.137 10 0 CEAERO [NH3+][C@H](Cc1ccccc1Br)c1cnccn1 ZINC000037467110 173226719 /nfs/dbraw/zinc/22/67/19/173226719.db2.gz KHYVEIZSBMSDSM-LLVKDONJSA-N 1 0 278.153 2.482 10 0 CEAERO COCCN(Cc1cccs1)C(=O)C[NH2+]C1CCCC1 ZINC000037495928 173235585 /nfs/dbraw/zinc/23/55/85/173235585.db2.gz BHSBUOMZWASJKU-UHFFFAOYSA-N 1 0 296.436 2.255 10 0 CEAERO Nc1ccc(C[NH+]2CCC(CO)CC2)c(Br)c1 ZINC000037515945 173247292 /nfs/dbraw/zinc/24/72/92/173247292.db2.gz LBWCHZMIESYXAV-UHFFFAOYSA-N 1 0 299.212 2.236 10 0 CEAERO [NH3+]C1CCC(C(=O)Nc2cc(F)ccc2F)CC1 ZINC000037622915 173576010 /nfs/dbraw/zinc/57/60/10/173576010.db2.gz NIDKZARIWGKHRC-UHFFFAOYSA-N 1 0 254.280 2.421 10 0 CEAERO O=C(NCC[C@H]1CCC[NH2+]C1)Nc1ccc(F)cc1F ZINC000037717411 173636147 /nfs/dbraw/zinc/63/61/47/173636147.db2.gz BSAABVFWNLWUQT-SNVBAGLBSA-N 1 0 283.322 2.476 10 0 CEAERO CCN(CC)C(=O)COc1ccc(Cl)cc1CC[NH3+] ZINC000037720942 173638954 /nfs/dbraw/zinc/63/89/54/173638954.db2.gz HGYDRFBZLFPCAA-UHFFFAOYSA-N 1 0 284.787 2.088 10 0 CEAERO CC[C@H]([NH3+])Cc1ccc(OCc2cnn(C)c2)cc1 ZINC000037724082 173643038 /nfs/dbraw/zinc/64/30/38/173643038.db2.gz ULMYQLIDFQOHCR-AWEZNQCLSA-N 1 0 259.353 2.279 10 0 CEAERO C[C@H]([NH3+])Cc1cc(Cl)ccc1OCc1ncon1 ZINC000037725758 173644125 /nfs/dbraw/zinc/64/41/25/173644125.db2.gz NTKHSDYUXLNUKH-QMMMGPOBSA-N 1 0 267.716 2.192 10 0 CEAERO COc1cc(C[C@H](C)[NH3+])cc(OC)c1OC(C)C ZINC000037728717 173648195 /nfs/dbraw/zinc/64/81/95/173648195.db2.gz LRKLVSFMEFFZJV-JTQLQIEISA-N 1 0 253.342 2.381 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCOC1)CCO2 ZINC000037738960 173659341 /nfs/dbraw/zinc/65/93/41/173659341.db2.gz IILIMFVSMKNCFC-SMDDNHRTSA-N 1 0 263.337 2.145 10 0 CEAERO C[C@]12C[C@H](CC(C)(C)C1)N(C(=O)C[NH2+]CC1CC1)C2 ZINC000037820717 173772730 /nfs/dbraw/zinc/77/27/30/173772730.db2.gz DGYHHBCMXLEVBG-BBRMVZONSA-N 1 0 264.413 2.413 10 0 CEAERO CCN(C(=O)C[NH2+]C(C)C)[C@H](C)c1cccc(O)c1 ZINC000037827117 173784809 /nfs/dbraw/zinc/78/48/09/173784809.db2.gz KHRFCOVXZNVSQS-GFCCVEGCSA-N 1 0 264.369 2.300 10 0 CEAERO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000248490999 287284174 /nfs/dbraw/zinc/28/41/74/287284174.db2.gz NSIKXOVSACLYKP-BZUAXINKSA-N 1 0 266.429 2.219 10 0 CEAERO [NH3+]CCN(Cc1cn2ccccc2n1)Cc1ccccc1 ZINC000038033247 174030688 /nfs/dbraw/zinc/03/06/88/174030688.db2.gz XZEFOPJGRSKQLQ-UHFFFAOYSA-N 1 0 280.375 2.295 10 0 CEAERO CC[N@@H+]1CC[C@@H](CNc2c(F)cc(N)cc2F)C1 ZINC000038040207 174040291 /nfs/dbraw/zinc/04/02/91/174040291.db2.gz JOMHPVOMQYYOIK-VIFPVBQESA-N 1 0 255.312 2.301 10 0 CEAERO C[C@@H](N(C)C(=O)[C@H]1CCCN1C1CC[NH2+]CC1)C(C)(C)C ZINC000038043302 174049954 /nfs/dbraw/zinc/04/99/54/174049954.db2.gz WYCLNBRGASUDRP-UKRRQHHQSA-N 1 0 295.471 2.096 10 0 CEAERO CCN(CC)C(=O)c1cc(N[C@@H]2CCCC[C@@H]2[NH3+])ccn1 ZINC000038050782 174062083 /nfs/dbraw/zinc/06/20/83/174062083.db2.gz KMHTVDVBOXVUER-UONOGXRCSA-N 1 0 290.411 2.245 10 0 CEAERO Cc1nn(C)c(-n2cc(Cl)cn2)c1C[NH2+]C(C)C ZINC000038053864 174065022 /nfs/dbraw/zinc/06/50/22/174065022.db2.gz TVTBHCMJPYIPAQ-UHFFFAOYSA-N 1 0 267.764 2.066 10 0 CEAERO CC(C)N(CCC[NH3+])C(=O)Nc1cccc(F)c1 ZINC000038076347 174086844 /nfs/dbraw/zinc/08/68/44/174086844.db2.gz VDNHPUJSLITZLB-UHFFFAOYSA-N 1 0 253.321 2.417 10 0 CEAERO CCN(CC)C(=O)[C@H](C)[NH2+][C@H](C)Cc1ccco1 ZINC000038092870 174107034 /nfs/dbraw/zinc/10/70/34/174107034.db2.gz WZQHFQXMHACMEG-NEPJUHHUSA-N 1 0 252.358 2.057 10 0 CEAERO Cc1ccc(Cl)cc1NC(=O)C[NH2+]C[C@H]1CCOC1 ZINC000038094262 174107561 /nfs/dbraw/zinc/10/75/61/174107561.db2.gz UADBHQYURBFHLV-LLVKDONJSA-N 1 0 282.771 2.213 10 0 CEAERO OC[C@H]([NH2+]C1CC1)c1cccc(Br)c1 ZINC000038124278 174131055 /nfs/dbraw/zinc/13/10/55/174131055.db2.gz JFZVNVSHEJKGEH-NSHDSACASA-N 1 0 256.143 2.235 10 0 CEAERO CCN1CCC[C@@H]([NH2+]Cc2ccc(OC)c(F)c2)C1 ZINC000040502994 174299944 /nfs/dbraw/zinc/29/99/44/174299944.db2.gz HQERZUOCRSWXTQ-CYBMUJFWSA-N 1 0 266.360 2.408 10 0 CEAERO CCCCOCC[NH2+]C[C@@H](O)COCCCC(C)C ZINC000040507164 174303091 /nfs/dbraw/zinc/30/30/91/174303091.db2.gz OFIMYRPADLWPDJ-OAHLLOKOSA-N 1 0 275.433 2.206 10 0 CEAERO CCOc1ccc(Cl)cc1NC(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000040634377 174360359 /nfs/dbraw/zinc/36/03/59/174360359.db2.gz BJBXDTWATKKXPO-ZYHUDNBSSA-N 1 0 298.770 2.054 10 0 CEAERO CCN(Cc1ccccc1Cl)C(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000040635374 174361051 /nfs/dbraw/zinc/36/10/51/174361051.db2.gz WAINXJGHGDMUGU-TZMCWYRMSA-N 1 0 296.798 2.065 10 0 CEAERO CO[C@@H]1C[NH2+][C@@H](c2nc(-c3cccc(F)c3)c[nH]2)C1 ZINC000040637740 174361981 /nfs/dbraw/zinc/36/19/81/174361981.db2.gz VGJQQVWRFLABDW-NWDGAFQWSA-N 1 0 261.300 2.265 10 0 CEAERO COc1ccc(C[C@@H](C)[NH2+]CCc2nccn2C)cc1 ZINC000040639064 174362701 /nfs/dbraw/zinc/36/27/01/174362701.db2.gz FURWPRIGMHUVEZ-CYBMUJFWSA-N 1 0 273.380 2.192 10 0 CEAERO C[N@H+]1[C@@H]2CC[C@H]1CC(NCc1cccc3c1OCO3)C2 ZINC000040667102 174366518 /nfs/dbraw/zinc/36/65/18/174366518.db2.gz SKFUADWGOHJHBA-AGUYFDCRSA-N 1 0 274.364 2.130 10 0 CEAERO C[C@H]1CCC[C@@](CNCC(=O)NC(C)(C)C)([NH+](C)C)C1 ZINC000040669666 174368091 /nfs/dbraw/zinc/36/80/91/174368091.db2.gz QAVAGFVBQYHUMM-XJKSGUPXSA-N 1 0 283.460 2.001 10 0 CEAERO CCOC(=O)C1(Nc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000040695388 174378358 /nfs/dbraw/zinc/37/83/58/174378358.db2.gz CLPGWDHMAZZSOL-UHFFFAOYSA-N 1 0 282.771 2.437 10 0 CEAERO Cc1c(Cl)cccc1Nc1nc[nH+]c(NN)c1N ZINC000040701596 174378858 /nfs/dbraw/zinc/37/88/58/174378858.db2.gz ZTUURXSITUKCFX-UHFFFAOYSA-N 1 0 264.720 2.050 10 0 CEAERO C[C@@H]1CC[N@H+](CCCC(=O)Nc2ccccc2N)C1 ZINC000040716842 174384527 /nfs/dbraw/zinc/38/45/27/174384527.db2.gz VRQUUMZOUNVCHA-GFCCVEGCSA-N 1 0 261.369 2.329 10 0 CEAERO CCc1c(C)nn(-c2nc3ccccn3c2C[NH3+])c1C ZINC000040733513 174388870 /nfs/dbraw/zinc/38/88/70/174388870.db2.gz IPWRCMPMYJDMMK-UHFFFAOYSA-N 1 0 269.352 2.158 10 0 CEAERO CC(C)n1cccc1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040740559 174390658 /nfs/dbraw/zinc/39/06/58/174390658.db2.gz FLAOMNQNAWZCRD-FUNVUKJBSA-N 1 0 261.369 2.082 10 0 CEAERO CC(C)(C(=O)N1[C@@H]2CC[C@H]1CC([NH3+])C2)c1ccccc1 ZINC000040749666 174394613 /nfs/dbraw/zinc/39/46/13/174394613.db2.gz IHFXWEVBCQZOGR-GOOCMWNKSA-N 1 0 272.392 2.445 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1nc2ccccc2[nH]1 ZINC000040750271 174395306 /nfs/dbraw/zinc/39/53/06/174395306.db2.gz DKFYONGXCLAJLX-YOGCLGLASA-N 1 0 256.353 2.017 10 0 CEAERO COc1ccc2c(c1)[C@@H]([NH2+]C1CC1)CCC[S@@]2=O ZINC000040975795 174444084 /nfs/dbraw/zinc/44/40/84/174444084.db2.gz GVNXKHBTUIQRQA-SCLBCKFNSA-N 1 0 265.378 2.390 10 0 CEAERO C[C@H]1CCC[C@]([NH3+])(c2nc(Cc3ccccn3)no2)C1 ZINC000041035613 174458549 /nfs/dbraw/zinc/45/85/49/174458549.db2.gz YTZBEUBDCQMFAP-XHDPSFHLSA-N 1 0 272.352 2.420 10 0 CEAERO CC(C)([NH3+])c1cn(Cc2cccc(Br)c2)nn1 ZINC000070118081 414765170 /nfs/dbraw/zinc/76/51/70/414765170.db2.gz LXXOMYPFMIOUMK-UHFFFAOYSA-N 1 0 295.184 2.283 10 0 CEAERO [NH3+]CC[C@@H](O)CCOc1cccc(Cl)c1Cl ZINC000041357926 174535518 /nfs/dbraw/zinc/53/55/18/174535518.db2.gz WTUMOTDILLUXTA-MRVPVSSYSA-N 1 0 264.152 2.472 10 0 CEAERO CC[C@H]1CN(c2ccccc2S(=O)(=O)CC)CC[C@@H]1[NH3+] ZINC000123036299 414790898 /nfs/dbraw/zinc/79/08/98/414790898.db2.gz VXBZJXOMJXUHAG-STQMWFEESA-N 1 0 296.436 2.044 10 0 CEAERO CC(NC(=O)CC[C@H]1CCC[NH2+]1)(C1CC1)C1CC1 ZINC000662914763 414799678 /nfs/dbraw/zinc/79/96/78/414799678.db2.gz FHXLRGZQCYVHDY-CYBMUJFWSA-N 1 0 250.386 2.214 10 0 CEAERO CC(NC(=O)[C@H]1CCC[C@H]1C[NH3+])(C1CC1)C1CC1 ZINC000662914494 414799801 /nfs/dbraw/zinc/79/98/01/414799801.db2.gz AWJRYGMMUUWJTH-GWCFXTLKSA-N 1 0 250.386 2.056 10 0 CEAERO CC(NC(=O)[C@H]1CCC[C@@H]1C[NH3+])(C1CC1)C1CC1 ZINC000662914497 414800697 /nfs/dbraw/zinc/80/06/97/414800697.db2.gz AWJRYGMMUUWJTH-MFKMUULPSA-N 1 0 250.386 2.056 10 0 CEAERO CN(C(=O)CCc1cccs1)[C@@H](C[NH3+])C(F)(F)F ZINC000662977953 414816841 /nfs/dbraw/zinc/81/68/41/414816841.db2.gz MYXVMGQSGLXEKA-VIFPVBQESA-N 1 0 280.315 2.029 10 0 CEAERO Cc1ccc(C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)c(F)c1 ZINC000662982209 414818996 /nfs/dbraw/zinc/81/89/96/414818996.db2.gz YCEPSMHOHBPADW-JTQLQIEISA-N 1 0 278.249 2.096 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 ZINC000041711823 174613470 /nfs/dbraw/zinc/61/34/70/174613470.db2.gz KNNXBJPQWOJXFK-FZMZJTMJSA-N 1 0 277.368 2.268 10 0 CEAERO COCCOCCn1c(C)cc2c1CC(C)(C)C[C@@H]2[NH3+] ZINC000041732671 174619752 /nfs/dbraw/zinc/61/97/52/174619752.db2.gz YLGLZZMHKRCMFR-AWEZNQCLSA-N 1 0 280.412 2.432 10 0 CEAERO C[C@@H]1CCCC[C@@H]1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113577901 287293314 /nfs/dbraw/zinc/29/33/14/287293314.db2.gz BDTMFKPRDAJRKZ-QPSCCSFWSA-N 1 0 279.428 2.443 10 0 CEAERO C[C@@H](Cc1c(F)cccc1F)NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000042168306 174649980 /nfs/dbraw/zinc/64/99/80/174649980.db2.gz BASZTYLRISJNQR-QWRGUYRKSA-N 1 0 282.334 2.154 10 0 CEAERO Oc1cccc2c1CC[C@H]2[NH2+]CCO[C@@H]1CC1(F)F ZINC000660651241 414918772 /nfs/dbraw/zinc/91/87/72/414918772.db2.gz ZAPOXTRPPDATTR-DGCLKSJQSA-N 1 0 269.291 2.393 10 0 CEAERO CCO[C@H]1CCC[N@H+](CCOc2cccc(N)c2)C1 ZINC000042408505 174714148 /nfs/dbraw/zinc/71/41/48/174714148.db2.gz ZLFZFUMLWHGENT-HNNXBMFYSA-N 1 0 264.369 2.149 10 0 CEAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(F)c1F ZINC000657377296 414896410 /nfs/dbraw/zinc/89/64/10/414896410.db2.gz BSEXWQAVUZWVEQ-LDYMZIIASA-N 1 0 259.271 2.355 10 0 CEAERO CO[C@H](C)c1nsc(NCC[C@@H]([NH3+])C(C)C)n1 ZINC000663275333 414901676 /nfs/dbraw/zinc/90/16/76/414901676.db2.gz FBGYKSOIZSQRKB-RKDXNWHRSA-N 1 0 258.391 2.031 10 0 CEAERO CC[C@@H]1CCC[C@@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653093049 414904241 /nfs/dbraw/zinc/90/42/41/414904241.db2.gz UOZQXDHIZDCVOA-DDHJBXDOSA-N 1 0 292.345 2.469 10 0 CEAERO CN1C[C@H](C[NH2+]Cc2ccc(F)cc2Cl)CC1=O ZINC000657695731 415051269 /nfs/dbraw/zinc/05/12/69/415051269.db2.gz CSAOAEIAVOMZMT-VIFPVBQESA-N 1 0 270.735 2.047 10 0 CEAERO CN1C[C@H](C[NH2+][C@@H]2CCCC(C)(C)CC2)CC1=O ZINC000657695829 415051341 /nfs/dbraw/zinc/05/13/41/415051341.db2.gz BVIXQQKVQSYUMT-QWHCGFSZSA-N 1 0 252.402 2.413 10 0 CEAERO CC[NH+]1CCC(N(C)c2nc3sccn3c2C=O)CC1 ZINC000042680229 174835001 /nfs/dbraw/zinc/83/50/01/174835001.db2.gz LFYMNBYKQUZFSV-UHFFFAOYSA-N 1 0 292.408 2.129 10 0 CEAERO OCC1CC([NH2+]Cc2cc(O)ccc2Br)C1 ZINC000657812001 415089513 /nfs/dbraw/zinc/08/95/13/415089513.db2.gz AQRQNERBGOFZNB-UHFFFAOYSA-N 1 0 286.169 2.015 10 0 CEAERO CC1(C)Cc2cccc(C[NH2+]C3CC(CO)C3)c2O1 ZINC000657813157 415090825 /nfs/dbraw/zinc/09/08/25/415090825.db2.gz RJTLVJGBOWTKBJ-UHFFFAOYSA-N 1 0 261.365 2.261 10 0 CEAERO C[C@@H]([NH3+])Cc1cc2c(cc1OCc1ccccn1)OCO2 ZINC000042878162 174901178 /nfs/dbraw/zinc/90/11/78/174901178.db2.gz AYNVEWIVKVIRCK-LLVKDONJSA-N 1 0 286.331 2.279 10 0 CEAERO C[C@H]([NH3+])[C@H](Sc1nc[nH]n1)c1ccc(F)cc1 ZINC000042942970 174919031 /nfs/dbraw/zinc/91/90/31/174919031.db2.gz SDZZIEGZWNSUPJ-XVKPBYJWSA-N 1 0 252.318 2.124 10 0 CEAERO CC[C@@H]([NH3+])[C@H](SCC(=O)OC)c1cccc(OC)c1 ZINC000043032797 174949288 /nfs/dbraw/zinc/94/92/88/174949288.db2.gz FPLUNNKGNUGUCW-TZMCWYRMSA-N 1 0 283.393 2.380 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1nncn1C)c1ccsc1 ZINC000043126000 174977756 /nfs/dbraw/zinc/97/77/56/174977756.db2.gz OEEUNDCYEAIIKC-VHSXEESVSA-N 1 0 268.411 2.447 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1cnn(C)c1)N(C)Cc1ccsc1 ZINC000043127245 174978439 /nfs/dbraw/zinc/97/84/39/174978439.db2.gz OKGPZWCJJSMBEL-ZWNOBZJWSA-N 1 0 264.398 2.002 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1cnn(C)c1)N(C)Cc1cccs1 ZINC000043127232 174978623 /nfs/dbraw/zinc/97/86/23/174978623.db2.gz PYDIOPZWRJEFCV-UONOGXRCSA-N 1 0 278.425 2.392 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1cnn(C)c1)N(C)Cc1ccccc1F ZINC000043127440 174978651 /nfs/dbraw/zinc/97/86/51/174978651.db2.gz PEUSIWSGULKVEW-ABAIWWIYSA-N 1 0 276.359 2.080 10 0 CEAERO CCOc1ccc(O[C@H](c2cnn(C)c2)[C@H](C)[NH3+])cc1 ZINC000043233273 174986365 /nfs/dbraw/zinc/98/63/65/174986365.db2.gz QNPXQUNBWSHUKY-NHYWBVRUSA-N 1 0 275.352 2.286 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Oc1cccc(N(C)C)c1)c1cnn(C)c1 ZINC000043236736 174987618 /nfs/dbraw/zinc/98/76/18/174987618.db2.gz HZXGTDXREMNMAX-HZPDHXFCSA-N 1 0 288.395 2.344 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccc(C)s1)N1CCOCC1 ZINC000043238760 174988083 /nfs/dbraw/zinc/98/80/83/174988083.db2.gz IYHCENJHETWOOP-DGCLKSJQSA-N 1 0 254.399 2.167 10 0 CEAERO NC(=[NH2+])c1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000043298651 174999641 /nfs/dbraw/zinc/99/96/41/174999641.db2.gz JJPBQWKAPGIEIV-UHFFFAOYSA-N 1 0 254.215 2.175 10 0 CEAERO [NH3+][C@@H](c1cccc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000043299791 175000338 /nfs/dbraw/zinc/00/03/38/175000338.db2.gz CHNRLMZKUMUGBL-SWLSCSKDSA-N 1 0 275.373 2.274 10 0 CEAERO [NH3+][C@@H](c1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000043299937 175000361 /nfs/dbraw/zinc/00/03/61/175000361.db2.gz ISIAKCXOABRYCN-RDDDGLTNSA-N 1 0 294.203 2.428 10 0 CEAERO [NH3+][C@H](c1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043299966 175000967 /nfs/dbraw/zinc/00/09/67/175000967.db2.gz FQWZNXBRVLMDCT-MWLCHTKSSA-N 1 0 293.310 2.140 10 0 CEAERO CCC[NH2+][C@@H](c1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043301214 175002031 /nfs/dbraw/zinc/00/20/31/175002031.db2.gz XNLPUWPBDOVTEC-JSGCOSHPSA-N 1 0 285.384 2.301 10 0 CEAERO c1cnn(Cc2cccc(N[C@H]3CCC[NH2+]C3)c2)c1 ZINC000043326808 175007974 /nfs/dbraw/zinc/00/79/74/175007974.db2.gz XFEAQYKYLRYCHB-HNNXBMFYSA-N 1 0 256.353 2.095 10 0 CEAERO c1nc(Sc2ccc(N[C@H]3CCC[NH2+]C3)cc2)n[nH]1 ZINC000043326654 175008262 /nfs/dbraw/zinc/00/82/62/175008262.db2.gz IPJPPOLGVWEIIJ-NSHDSACASA-N 1 0 275.381 2.120 10 0 CEAERO Cc1cc(-c2nnco2)ccc1N[C@@H]1CCC[NH2+]C1 ZINC000043326761 175008269 /nfs/dbraw/zinc/00/82/69/175008269.db2.gz UVNXBASBNYHIKA-GFCCVEGCSA-N 1 0 258.325 2.209 10 0 CEAERO c1nn(Cc2ccccc2)cc1N[C@H]1CCC[NH2+]C1 ZINC000043327288 175009005 /nfs/dbraw/zinc/00/90/05/175009005.db2.gz DLTIFFSXNFLGKG-AWEZNQCLSA-N 1 0 256.353 2.095 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccco1)N1CCC(OC)CC1 ZINC000043334786 175010427 /nfs/dbraw/zinc/01/04/27/175010427.db2.gz FOMZZAKDIRAYMZ-JSGCOSHPSA-N 1 0 252.358 2.169 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccco1)N1CCCC[C@@H]1CCO ZINC000043334493 175010617 /nfs/dbraw/zinc/01/06/17/175010617.db2.gz GPIGYUFCTOYIMO-IPYPFGDCSA-N 1 0 266.385 2.295 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccccn1)N(C)[C@@H]1CCSC1 ZINC000043339154 175013220 /nfs/dbraw/zinc/01/32/20/175013220.db2.gz PGRBGHIIRFSKMI-BZPMIXESSA-N 1 0 265.426 2.297 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccccn1)N(C)Cc1cscn1 ZINC000043341220 175015014 /nfs/dbraw/zinc/01/50/14/175015014.db2.gz UJAIEICEZUIVHT-JSGCOSHPSA-N 1 0 276.409 2.449 10 0 CEAERO C[C@@H]([NH3+])[C@@H](Sc1nncs1)c1ccccn1 ZINC000043344642 175016392 /nfs/dbraw/zinc/01/63/92/175016392.db2.gz HSFVQLXXOLCMKJ-VXNVDRBHSA-N 1 0 252.368 2.114 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1ncccn1)c1ccccn1 ZINC000043344707 175016467 /nfs/dbraw/zinc/01/64/67/175016467.db2.gz GXDGTPJHSGZUPW-CMPLNLGQSA-N 1 0 260.366 2.442 10 0 CEAERO Cc1nnc(S[C@H](C[NH3+])c2ccccn2)s1 ZINC000043345124 175016892 /nfs/dbraw/zinc/01/68/92/175016892.db2.gz OCTVZNJJNPNREK-SECBINFHSA-N 1 0 252.368 2.034 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1cccnc1)N(C)CCc1ccccn1 ZINC000043345935 175016996 /nfs/dbraw/zinc/01/69/96/175016996.db2.gz NQOWNKNKLCPIRN-CJNGLKHVSA-N 1 0 270.380 2.039 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cccnc1)n1cc(Cl)cn1 ZINC000043348910 175019217 /nfs/dbraw/zinc/01/92/17/175019217.db2.gz IAYPSJSMSKJBDN-NEPJUHHUSA-N 1 0 250.733 2.258 10 0 CEAERO Cc1nnc(S[C@H](C[NH3+])c2cccnc2)s1 ZINC000043352669 175020332 /nfs/dbraw/zinc/02/03/32/175020332.db2.gz SUGULFMVMNEWGI-SECBINFHSA-N 1 0 252.368 2.034 10 0 CEAERO CC[C@@H]([NH3+])[C@H](SCCC(=O)OC)c1cccnc1 ZINC000043352600 175020366 /nfs/dbraw/zinc/02/03/66/175020366.db2.gz XANQUEDFFSMBNQ-DGCLKSJQSA-N 1 0 268.382 2.156 10 0 CEAERO CCOC1CCN([C@H](c2ccncc2)[C@@H]([NH3+])CC)CC1 ZINC000043353915 175021027 /nfs/dbraw/zinc/02/10/27/175021027.db2.gz PPTDEYGQGTXSEL-JKSUJKDBSA-N 1 0 277.412 2.361 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccncc1)N(CCO)C1CCCCC1 ZINC000043354617 175021996 /nfs/dbraw/zinc/02/19/96/175021996.db2.gz PAROMTZHMJTHDS-IRXDYDNUSA-N 1 0 291.439 2.487 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccncc1)n1cc(Br)cn1 ZINC000043354988 175023148 /nfs/dbraw/zinc/02/31/48/175023148.db2.gz JWPJPSCEGZRXIL-NEPJUHHUSA-N 1 0 295.184 2.367 10 0 CEAERO CC[C@@H]([NH3+])[C@H](OC1CCOCC1)c1ccncc1 ZINC000043356327 175023458 /nfs/dbraw/zinc/02/34/58/175023458.db2.gz YEUZVVVZBCTYBE-ZIAGYGMSSA-N 1 0 250.342 2.056 10 0 CEAERO C[C@@H]([NH3+])[C@H](Oc1ccc2c(c1)OCO2)c1ccncc1 ZINC000043355830 175023746 /nfs/dbraw/zinc/02/37/46/175023746.db2.gz GHBHGEWSDAXJNT-BMIGLBTASA-N 1 0 272.304 2.278 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](SCCC(=O)OC)c1ccncc1 ZINC000043363465 175024324 /nfs/dbraw/zinc/02/43/24/175024324.db2.gz ZKINQRSCGBXOJG-YPMHNXCESA-N 1 0 268.382 2.156 10 0 CEAERO COC1CCN([C@@H](c2ccc(C)o2)[C@@H](C)[NH3+])CC1 ZINC000043364098 175024908 /nfs/dbraw/zinc/02/49/08/175024908.db2.gz KXOIUGQGILYZPV-BXUZGUMPSA-N 1 0 252.358 2.087 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)N(C)C[C@@H]1CCCO1 ZINC000043364765 175025318 /nfs/dbraw/zinc/02/53/18/175025318.db2.gz LJRPIMFFYYDANA-GUTXKFCHSA-N 1 0 266.385 2.477 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccc(C)o1)N1CCN(C2CC2)CC1 ZINC000043364836 175025779 /nfs/dbraw/zinc/02/57/79/175025779.db2.gz SWXYBOVIUHHSJP-GOEBONIOSA-N 1 0 277.412 2.146 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)N(CCCOC)CCOC ZINC000043365049 175026615 /nfs/dbraw/zinc/02/66/15/175026615.db2.gz QZYWNQLVWRWZSP-GDBMZVCRSA-N 1 0 298.427 2.351 10 0 CEAERO Cc1ccc([C@@H](Oc2ccccc2C(N)=O)[C@H](C)[NH3+])o1 ZINC000043366515 175026976 /nfs/dbraw/zinc/02/69/76/175026976.db2.gz JBVUTUGQYBTYIW-HZMBPMFUSA-N 1 0 274.320 2.154 10 0 CEAERO Cc1ccc([C@@H](Sc2n[nH]c(C)n2)[C@@H](C)[NH3+])o1 ZINC000043367738 175027864 /nfs/dbraw/zinc/02/78/64/175027864.db2.gz ZOOWSYPNMNAIFD-XCBNKYQSSA-N 1 0 252.343 2.195 10 0 CEAERO C[C@@H]([NH3+])[C@H](N(C)Cc1cccs1)C(F)(F)F ZINC000043377214 175030066 /nfs/dbraw/zinc/03/00/66/175030066.db2.gz LTUFNXJANNOCTG-APPZFPTMSA-N 1 0 252.305 2.458 10 0 CEAERO C[C@@H]([NH3+])[C@H](N(C)Cc1ccsc1)C(F)(F)F ZINC000043377228 175030282 /nfs/dbraw/zinc/03/02/82/175030282.db2.gz AKLLEFRSUODQCT-APPZFPTMSA-N 1 0 252.305 2.458 10 0 CEAERO CC[C@@H]([NH3+])[C@H](N1CCN(C(C)(C)C)CC1)C(F)(F)F ZINC000043378324 175030564 /nfs/dbraw/zinc/03/05/64/175030564.db2.gz LDJMGDXAMDFNEF-MNOVXSKESA-N 1 0 281.366 2.071 10 0 CEAERO C[C@@H]([NH3+])Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000043391670 175034177 /nfs/dbraw/zinc/03/41/77/175034177.db2.gz HRIIHYLDTFLXAV-RXMQYKEDSA-N 1 0 257.215 2.044 10 0 CEAERO CCCCOC(=O)COc1ccc([C@H](C)[NH3+])cc1 ZINC000043447206 175048631 /nfs/dbraw/zinc/04/86/31/175048631.db2.gz PTGPOZJPEAXJBR-NSHDSACASA-N 1 0 251.326 2.428 10 0 CEAERO CCCOc1ccc([C@@H](CN2CCOCC2)[NH2+]CC)cc1 ZINC000043808413 175109023 /nfs/dbraw/zinc/10/90/23/175109023.db2.gz ONFQXICLIQHWCF-QGZVFWFLSA-N 1 0 292.423 2.458 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2CCC[C@@H]1N1CCOCC1 ZINC000043808220 175109056 /nfs/dbraw/zinc/10/90/56/175109056.db2.gz XFZIQHIYMWTHAB-DLBZAZTESA-N 1 0 274.408 2.374 10 0 CEAERO CC[NH2+][C@@H](CN(C)CC)c1ccc2c(c1)OCO2 ZINC000043820437 175113989 /nfs/dbraw/zinc/11/39/89/175113989.db2.gz ILRGUIKXXKAZON-LBPRGKRZSA-N 1 0 250.342 2.018 10 0 CEAERO CCCN(CC)C[C@@H]([NH2+]C)c1ccc2c(c1)OCCO2 ZINC000043884371 175116854 /nfs/dbraw/zinc/11/68/54/175116854.db2.gz IVFFBCIWQMJZFL-CQSZACIVSA-N 1 0 278.396 2.450 10 0 CEAERO CCCN(C)C[C@H]([NH2+]C)c1ccc2c(c1)OCCCO2 ZINC000043885934 175116867 /nfs/dbraw/zinc/11/68/67/175116867.db2.gz HEJIWYSISFPHQD-AWEZNQCLSA-N 1 0 278.396 2.450 10 0 CEAERO C[NH2+][C@@H](c1ccc(OC)cc1)[C@@H](C)N1CCC(OC)CC1 ZINC000043890021 175117776 /nfs/dbraw/zinc/11/77/76/175117776.db2.gz YMBLVEMUAXRFBR-CXAGYDPISA-N 1 0 292.423 2.455 10 0 CEAERO CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N(C)C1CCOCC1 ZINC000043898356 175120978 /nfs/dbraw/zinc/12/09/78/175120978.db2.gz OSAJRWUXDROQBR-SNPRPXQTSA-N 1 0 254.418 2.264 10 0 CEAERO CCC[NH2+][C@H]1CCC[C@H]1N(C)CCc1ccncc1 ZINC000043902256 175122331 /nfs/dbraw/zinc/12/23/31/175122331.db2.gz XPCRQQGDSMQNHV-JKSUJKDBSA-N 1 0 261.413 2.477 10 0 CEAERO CC[NH2+][C@@H]1CCOC[C@@H]1N(C)Cc1cccc(C)c1 ZINC000043909964 175123415 /nfs/dbraw/zinc/12/34/15/175123415.db2.gz ISBZSNDHZSWNKC-CVEARBPZSA-N 1 0 262.397 2.194 10 0 CEAERO C[NH2+][C@@H](CN1CC[C@@H](C)C1)c1cc(OC)ccc1OC ZINC000043908157 175123437 /nfs/dbraw/zinc/12/34/37/175123437.db2.gz VVQZJQJLFNBNNI-DOMZBBRYSA-N 1 0 278.396 2.306 10 0 CEAERO CC[NH2+][C@@H]1CCCCCC[C@H]1N(CCOC)CCOC ZINC000043912748 175124261 /nfs/dbraw/zinc/12/42/61/175124261.db2.gz LEMGIJRXHLYMLQ-HZPDHXFCSA-N 1 0 286.460 2.282 10 0 CEAERO CCC[C@H]([NH2+]CC)[C@H](CC)N(CCOC)CCOC ZINC000043912808 175124367 /nfs/dbraw/zinc/12/43/67/175124367.db2.gz CVWGILHPWJUACZ-GJZGRUSLSA-N 1 0 274.449 2.138 10 0 CEAERO CCC[NH2+][C@@H](CN(C)CCOC)c1cccc(OC)c1 ZINC000043916322 175125250 /nfs/dbraw/zinc/12/52/50/175125250.db2.gz IMQHNBDUARNZQR-INIZCTEOSA-N 1 0 280.412 2.314 10 0 CEAERO CCC[NH2+][C@H]1c2ccccc2OC[C@@H]1N(C)CCOC ZINC000043916482 175125631 /nfs/dbraw/zinc/12/56/31/175125631.db2.gz KNWLTGYDKZLYIJ-HOCLYGCPSA-N 1 0 278.396 2.067 10 0 CEAERO CCN(CCOC)C[C@@H]([NH2+]C)c1ccccc1C ZINC000043968528 175129551 /nfs/dbraw/zinc/12/95/51/175129551.db2.gz QMEHPIHSUUCZRV-OAHLLOKOSA-N 1 0 250.386 2.224 10 0 CEAERO C[NH2+][C@@H](CN(C)[C@@H](C)COC)c1ccccc1C ZINC000043969088 175130841 /nfs/dbraw/zinc/13/08/41/175130841.db2.gz RRHOBZUHQZFQRX-ZFWWWQNUSA-N 1 0 250.386 2.222 10 0 CEAERO C[NH2+][C@H](c1ccccc1)[C@H](C)N(CCCOC)CCOC ZINC000043970839 175132167 /nfs/dbraw/zinc/13/21/67/175132167.db2.gz OUOZMMYDXKSHIH-RDJZCZTQSA-N 1 0 294.439 2.321 10 0 CEAERO Cn1cc(COc2ccc3c(c2)CCC[C@H]3[NH3+])cn1 ZINC000044732449 175241332 /nfs/dbraw/zinc/24/13/32/175241332.db2.gz YWJXNZZLRLLGHY-OAHLLOKOSA-N 1 0 257.337 2.335 10 0 CEAERO CC[NH+]1CCC(CNC(=O)c2ccc(N)cc2C)CC1 ZINC000044749152 175244358 /nfs/dbraw/zinc/24/43/58/175244358.db2.gz HZVPWBPTEYADED-UHFFFAOYSA-N 1 0 275.396 2.039 10 0 CEAERO CC[C@H](C)N(CCOC)C(=O)C1(C[NH3+])CCCCC1 ZINC000044764119 175248072 /nfs/dbraw/zinc/24/80/72/175248072.db2.gz ZQXOKAOFKTYSAS-ZDUSSCGKSA-N 1 0 270.417 2.169 10 0 CEAERO CC[NH+]1CCC(N(C)C(=O)C(CC)(CC)C(N)=S)CC1 ZINC000044782164 175253316 /nfs/dbraw/zinc/25/33/16/175253316.db2.gz GFMNIAPSDQGPKI-UHFFFAOYSA-N 1 0 299.484 2.022 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000044796037 175254828 /nfs/dbraw/zinc/25/48/28/175254828.db2.gz FMLSPIDRZDCLIL-CHWSQXEVSA-N 1 0 270.417 2.168 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000044801287 175255658 /nfs/dbraw/zinc/25/56/58/175255658.db2.gz NSFMVSHXOBWCGD-QWHCGFSZSA-N 1 0 270.417 2.215 10 0 CEAERO C[C@H](NC(=O)[C@H](C[NH3+])Cc1ccccc1)c1cccnc1 ZINC000044801094 175255666 /nfs/dbraw/zinc/25/56/66/175255666.db2.gz LFRCPOPBBSJRNC-BBRMVZONSA-N 1 0 283.375 2.076 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)N(C)Cc1ccccc1F ZINC000044804040 175256259 /nfs/dbraw/zinc/25/62/59/175256259.db2.gz XQAQNBGPAIRAQE-NSHDSACASA-N 1 0 252.333 2.159 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N[C@@H](C)c1cccc(F)c1 ZINC000044806357 175256578 /nfs/dbraw/zinc/25/65/78/175256578.db2.gz OCUAYFWRIXWZQU-CMPLNLGQSA-N 1 0 252.333 2.378 10 0 CEAERO CC(C)N(CC1CC1)C(=O)[C@@H](C[NH3+])Cc1ccccc1 ZINC000044807695 175256909 /nfs/dbraw/zinc/25/69/09/175256909.db2.gz YTLQHNMZVUJLKY-MRXNPFEDSA-N 1 0 274.408 2.451 10 0 CEAERO C[C@@H](C[NH2+]CC(=O)Nc1ccc(F)cc1)N1CCCCC1 ZINC000044993430 175286486 /nfs/dbraw/zinc/28/64/86/175286486.db2.gz AENKJOBZTRFSLC-ZDUSSCGKSA-N 1 0 293.386 2.228 10 0 CEAERO CCCNC(=O)CCNC1=[NH+][C@H](CC(C)C)CS1 ZINC000045086608 175304369 /nfs/dbraw/zinc/30/43/69/175304369.db2.gz BTANZLNWQFHMMM-LLVKDONJSA-N 1 0 271.430 2.010 10 0 CEAERO CC(C)[N@@H+]1CC[C@@H](CN2Cc3ccc(N)cc3C2)C1 ZINC000045136409 175313934 /nfs/dbraw/zinc/31/39/34/175313934.db2.gz NKDHVROCDCQOGL-ZDUSSCGKSA-N 1 0 259.397 2.315 10 0 CEAERO CC(C)[N@@H+]1CC[C@@H](CNc2nsnc2Cl)C1 ZINC000045140369 175315641 /nfs/dbraw/zinc/31/56/41/175315641.db2.gz MYSSVPQCKCSLME-QMMMGPOBSA-N 1 0 260.794 2.334 10 0 CEAERO C[C@@H](C(N)=S)[N@H+](C)Cc1ccc2ccccc2n1 ZINC000045147132 175317027 /nfs/dbraw/zinc/31/70/27/175317027.db2.gz JDLJQYMEQDWRTL-JTQLQIEISA-N 1 0 259.378 2.341 10 0 CEAERO CS(=O)(=O)c1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000045173104 175322209 /nfs/dbraw/zinc/32/22/09/175322209.db2.gz JADKTCDFYRZIEB-GUTXKFCHSA-N 1 0 279.405 2.368 10 0 CEAERO CCCC[N@H+](CC)CC[C@@](C)(NC)C(=O)OCC ZINC000045223381 175331395 /nfs/dbraw/zinc/33/13/95/175331395.db2.gz OYPPLELYYWEMFD-CQSZACIVSA-N 1 0 258.406 2.040 10 0 CEAERO CCN(CC[C@](C)([NH2+]C1CC1)C(N)=O)c1ccccc1C ZINC000045223110 175331411 /nfs/dbraw/zinc/33/14/11/175331411.db2.gz YOQOIWUEXASNRM-KRWDZBQOSA-N 1 0 289.423 2.207 10 0 CEAERO CCC[NH2+][C@](C)(CN(CC)c1ccccc1C)C(N)=O ZINC000045223017 175331581 /nfs/dbraw/zinc/33/15/81/175331581.db2.gz JUUMGPLVCFSZQC-MRXNPFEDSA-N 1 0 277.412 2.065 10 0 CEAERO CCN[C@@](C)(CCN1CCc2ccccc21)C(=O)OCC ZINC000045224335 175331975 /nfs/dbraw/zinc/33/19/75/175331975.db2.gz UEWWNUWEALBFES-KRWDZBQOSA-N 1 0 290.407 2.371 10 0 CEAERO CC[NH2+][C@](C)(CC[N@H+](CC)C1CCCCC1)C(=O)[O-] ZINC000045224105 175332034 /nfs/dbraw/zinc/33/20/34/175332034.db2.gz KOSOLTIMQNRMSV-OAHLLOKOSA-N 1 0 270.417 2.484 10 0 CEAERO CN[C@@](C[NH+]1CCC(C)CC1)(C(=O)OC)c1ccccc1 ZINC000045225329 175332760 /nfs/dbraw/zinc/33/27/60/175332760.db2.gz KSQFHSFZKZIWCP-QGZVFWFLSA-N 1 0 290.407 2.006 10 0 CEAERO CCCN[C@](C)(CC[NH+](CCC)CCC)C(=O)OC ZINC000045230498 175334558 /nfs/dbraw/zinc/33/45/58/175334558.db2.gz NRLBYKGBIPYTKJ-OAHLLOKOSA-N 1 0 272.433 2.430 10 0 CEAERO CCOC(=O)[C@@](C)(CC[N@H+]1[C@H](C)CCC[C@@H]1C)NC ZINC000045231906 175335380 /nfs/dbraw/zinc/33/53/80/175335380.db2.gz VXZJKTWKOBQCBI-VNHYZAJKSA-N 1 0 270.417 2.181 10 0 CEAERO COC(=O)[C@](C)(C[NH+]1[C@@H](C)CCC[C@@H]1C)NC(C)C ZINC000045231813 175335554 /nfs/dbraw/zinc/33/55/54/175335554.db2.gz ABTYGCMWPSURCF-YDHLFZDLSA-N 1 0 270.417 2.179 10 0 CEAERO CCOC(=O)[C@@](C[N@H+](CC)C(C)C)(NC)c1ccccc1 ZINC000045265394 175338329 /nfs/dbraw/zinc/33/83/29/175338329.db2.gz NDMPEEMMUADAIT-KRWDZBQOSA-N 1 0 292.423 2.395 10 0 CEAERO CCC[N@H+](C)C[C@](NCC)(C(=O)OC)c1ccccc1 ZINC000045264316 175338461 /nfs/dbraw/zinc/33/84/61/175338461.db2.gz NTZKPEKAJPAFAA-MRXNPFEDSA-N 1 0 278.396 2.006 10 0 CEAERO CCCN[C@](C)(C[N@H+](CC)[C@@H](C)CC)C(=O)OCC ZINC000045266459 175338749 /nfs/dbraw/zinc/33/87/49/175338749.db2.gz NLHOFXAMFWLHRH-DZGCQCFKSA-N 1 0 272.433 2.428 10 0 CEAERO CCCN[C@@](C)(CC[N@H+](CC)[C@@H](C)CC)C(=O)OC ZINC000045266597 175338816 /nfs/dbraw/zinc/33/88/16/175338816.db2.gz TXFVBMQKTULPQW-ZFWWWQNUSA-N 1 0 272.433 2.428 10 0 CEAERO CCN[C@@](C)(CC[N@H+](CC)[C@@H](C)CC)C(=O)OC ZINC000045266580 175339279 /nfs/dbraw/zinc/33/92/79/175339279.db2.gz CBWFDJDBHVQEJB-JSGCOSHPSA-N 1 0 258.406 2.038 10 0 CEAERO CCC(CC)[N@H+](C)CC[C@](C)(NC1CC1)C(=O)OC ZINC000045269757 175341582 /nfs/dbraw/zinc/34/15/82/175341582.db2.gz WVIHSBBTUQETJY-HNNXBMFYSA-N 1 0 270.417 2.181 10 0 CEAERO CC[NH2+][C@](C)(CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)[O-] ZINC000045272120 175342941 /nfs/dbraw/zinc/34/29/41/175342941.db2.gz JCIZUWHPHNJPPW-SQWLQELKSA-N 1 0 282.428 2.341 10 0 CEAERO CCC[NH2+][C@@](C)(CN(CC)c1cccc(C)c1)C(N)=O ZINC000045273183 175343899 /nfs/dbraw/zinc/34/38/99/175343899.db2.gz PKFKQAAHUJPXJC-INIZCTEOSA-N 1 0 277.412 2.065 10 0 CEAERO CCOC(=O)[C@](C)(N)CC[N@H+](C)[C@@H](C)C(C)(C)C ZINC000045274792 175344977 /nfs/dbraw/zinc/34/49/77/175344977.db2.gz ZHUCKMKUKPXKOP-SMDDNHRTSA-N 1 0 258.406 2.023 10 0 CEAERO CCC[N@H+](CC1CC1)C[C@](C)(NC(C)C)C(=O)OC ZINC000045276841 175346757 /nfs/dbraw/zinc/34/67/57/175346757.db2.gz UVZZMPSPWLPFBP-HNNXBMFYSA-N 1 0 270.417 2.038 10 0 CEAERO CCCCC[N@H+](C[C@@](C)(N)C(=O)OCC)C(C)C ZINC000045278548 175348034 /nfs/dbraw/zinc/34/80/34/175348034.db2.gz LQQAAPKADSSJBV-CQSZACIVSA-N 1 0 258.406 2.168 10 0 CEAERO COC(=O)[C@@](N)(C[N@H+](C)[C@@H](C)CC(C)C)c1ccccc1 ZINC000045279910 175349967 /nfs/dbraw/zinc/34/99/67/175349967.db2.gz DBQIVSMFPKEXHM-WMLDXEAASA-N 1 0 292.423 2.380 10 0 CEAERO CCOC(=O)[C@@](C)(N)CC[N@H+](C)C1CCC(C)CC1 ZINC000045280593 175350300 /nfs/dbraw/zinc/35/03/00/175350300.db2.gz XEXUIOKPAJMGCN-PIMMBPRGSA-N 1 0 270.417 2.168 10 0 CEAERO CCC[NH2+][C@@](C)(CC[N@H+](CC1CC1)C(C)C)C(=O)[O-] ZINC000045281010 175351002 /nfs/dbraw/zinc/35/10/02/175351002.db2.gz PGDSJCKREAISOS-HNNXBMFYSA-N 1 0 270.417 2.340 10 0 CEAERO COC(=O)[C@@](C)(CC[N@H+](C)CCC(C)C)NC(C)C ZINC000045281307 175351883 /nfs/dbraw/zinc/35/18/83/175351883.db2.gz JHNSTABBRLURCN-OAHLLOKOSA-N 1 0 272.433 2.284 10 0 CEAERO CC[NH2+][C@@](C)(CCCN(CC)c1ccccc1C)C(N)=O ZINC000045369959 175363854 /nfs/dbraw/zinc/36/38/54/175363854.db2.gz RKRLRENTJUIVPC-KRWDZBQOSA-N 1 0 291.439 2.455 10 0 CEAERO CC[NH+](CC)CCCC[C@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000045375815 175366106 /nfs/dbraw/zinc/36/61/06/175366106.db2.gz FSAUCSMRJZSWAJ-AWEZNQCLSA-N 1 0 256.390 2.094 10 0 CEAERO CCN[C@@](C)(CCCC[NH+]1CCCC1)C(=O)OCC ZINC000045375259 175366156 /nfs/dbraw/zinc/36/61/56/175366156.db2.gz WAPMSKQNWYWMBP-HNNXBMFYSA-N 1 0 270.417 2.184 10 0 CEAERO CCN[C@@](C)(CCC[NH+]1CCCCCC1)C(=O)OC ZINC000045377529 175367006 /nfs/dbraw/zinc/36/70/06/175367006.db2.gz MSINOKGKMSONMG-HNNXBMFYSA-N 1 0 270.417 2.184 10 0 CEAERO COC(=O)[C@@](C)(CCC[NH+]1CCCCC1)NC(C)C ZINC000045378361 175367507 /nfs/dbraw/zinc/36/75/07/175367507.db2.gz VIOIBPKBXMVQCU-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CCOC(=O)[C@@](C)(CCCC[NH+](C)C)NC(C)C ZINC000045380120 175369275 /nfs/dbraw/zinc/36/92/75/175369275.db2.gz SNUAVZOOWGGMBJ-CQSZACIVSA-N 1 0 258.406 2.038 10 0 CEAERO CCOC(=O)[C@@](C)(CCC[N@H+](C)CC(C)C)NC1CC1 ZINC000045381056 175369739 /nfs/dbraw/zinc/36/97/39/175369739.db2.gz NPSRTTAWHQDVFR-MRXNPFEDSA-N 1 0 284.444 2.428 10 0 CEAERO CC[N@H+](CCC[C@](C)(NC)C(=O)OC)C1CCCC1 ZINC000045390592 175374336 /nfs/dbraw/zinc/37/43/36/175374336.db2.gz IOISODYAJSACEJ-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CC[NH2+][C@@](C)(CCC[N@H+](CC)C1CCCC1)C(=O)[O-] ZINC000045390538 175374471 /nfs/dbraw/zinc/37/44/71/175374471.db2.gz TWLWQTJJWWKASF-HNNXBMFYSA-N 1 0 270.417 2.484 10 0 CEAERO CN1C[C@H](C[NH2+][C@@H]2CCSc3ccccc32)CC1=O ZINC000658243364 415277161 /nfs/dbraw/zinc/27/71/61/415277161.db2.gz COEFJONRLGVCMA-WCQYABFASA-N 1 0 276.405 2.291 10 0 CEAERO CC[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1ccc(F)cc1 ZINC000658244961 415280579 /nfs/dbraw/zinc/28/05/79/415280579.db2.gz OJIVEZVXEJDBIU-FZMZJTMJSA-N 1 0 264.344 2.345 10 0 CEAERO CN1C[C@@H](C[NH2+][C@H]2CCCc3sccc32)CC1=O ZINC000658244264 415280717 /nfs/dbraw/zinc/28/07/17/415280717.db2.gz KZTOXRAMRXGWPW-PWSUYJOCSA-N 1 0 264.394 2.193 10 0 CEAERO CC(C)OC1CCC(NC(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000655483257 415298947 /nfs/dbraw/zinc/29/89/47/415298947.db2.gz WROQDDYBXXJOCJ-WLYUNCDWSA-N 1 0 282.428 2.229 10 0 CEAERO COc1cccc(CNC(=O)[C@@H](C[NH3+])c2ccccc2)c1 ZINC000061611846 175651338 /nfs/dbraw/zinc/65/13/38/175651338.db2.gz KPZIZMWVJHEYEO-INIZCTEOSA-N 1 0 284.359 2.054 10 0 CEAERO CC1(C)CCN(C(=O)[C@@H]2CC[NH2+]C2)CC(C)(C)C1 ZINC000659357410 415536074 /nfs/dbraw/zinc/53/60/74/415536074.db2.gz GRGKZRBLDBJHDI-GFCCVEGCSA-N 1 0 252.402 2.271 10 0 CEAERO CC[C@@H]1CC[C@@H](C)N(C(=O)[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000659374536 415546619 /nfs/dbraw/zinc/54/66/19/415546619.db2.gz MYOPCWLEZBOVEI-XJFOESAGSA-N 1 0 252.402 2.412 10 0 CEAERO CC[C@@H]1CC[C@@H](C)N(C(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000659374725 415547865 /nfs/dbraw/zinc/54/78/65/415547865.db2.gz TZMBJKSIEOLABA-MQYQWHSLSA-N 1 0 252.402 2.399 10 0 CEAERO CC[C@@H]1CC[C@@H](C)N(C(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000659374727 415548720 /nfs/dbraw/zinc/54/87/20/415548720.db2.gz TZMBJKSIEOLABA-YIYPIFLZSA-N 1 0 252.402 2.399 10 0 CEAERO CC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000659386131 415557425 /nfs/dbraw/zinc/55/74/25/415557425.db2.gz MMDMDJGDZSROGZ-ZVLQPQRZSA-N 1 0 250.386 2.164 10 0 CEAERO CCCNC(=O)C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000070262634 175885398 /nfs/dbraw/zinc/88/53/98/175885398.db2.gz QJSOLRUCVJTYAS-UHFFFAOYSA-N 1 0 266.307 2.223 10 0 CEAERO CCN1CCC([NH2+][C@H]2CCO[C@](C)(CC)C2)CC1 ZINC000070359232 175888787 /nfs/dbraw/zinc/88/87/87/175888787.db2.gz MEROUWGZEIOOBL-LSDHHAIUSA-N 1 0 254.418 2.408 10 0 CEAERO CC[C@]1(C)C[C@@](CN)([NH+]2CCC(COC)CC2)CCO1 ZINC000070366765 175896449 /nfs/dbraw/zinc/89/64/49/175896449.db2.gz DPWBFQIMHFLJGP-CVEARBPZSA-N 1 0 284.444 2.021 10 0 CEAERO CC1(C)C[C@@]([NH2+]C2CCCCCC2)(C(N)=O)CCO1 ZINC000070367880 175897750 /nfs/dbraw/zinc/89/77/50/175897750.db2.gz LSKOXBZWURDFKB-OAHLLOKOSA-N 1 0 268.401 2.112 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1cnn(C)c1)N1C[C@@H](C)S[C@@H](C)C1 ZINC000070381815 175902384 /nfs/dbraw/zinc/90/23/84/175902384.db2.gz UXIYCZFTPQNRPN-XCCSTKFXSA-N 1 0 282.457 2.024 10 0 CEAERO CC[C@@H]([NH3+])Cc1c(C)nn(C)c1N1C[C@@H](C)S[C@@H](C)C1 ZINC000070387223 175905163 /nfs/dbraw/zinc/90/51/63/175905163.db2.gz XBBIQHCVIJNKAN-NTZNESFSSA-N 1 0 296.484 2.339 10 0 CEAERO Nc1cc(C[C@H]([NH3+])Cc2ccccc2Cl)ccn1 ZINC000070403160 175911634 /nfs/dbraw/zinc/91/16/34/175911634.db2.gz RFORVOSIMJSCMQ-LBPRGKRZSA-N 1 0 261.756 2.430 10 0 CEAERO C[NH2+][C@@H](Cc1ccccc1C)Cc1cccnc1N ZINC000070407313 175913450 /nfs/dbraw/zinc/91/34/50/175913450.db2.gz SHKFENVPQBEDCO-HNNXBMFYSA-N 1 0 255.365 2.345 10 0 CEAERO C[C@H]1CCCCCN1S(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000070409204 175914055 /nfs/dbraw/zinc/91/40/55/175914055.db2.gz HOROEOKDBRVWED-ZDUSSCGKSA-N 1 0 296.436 2.240 10 0 CEAERO CCCc1nccn1C[C@@H]1CC[C@@H](C[NH2+]C(C)C)O1 ZINC000070425776 175922575 /nfs/dbraw/zinc/92/25/75/175922575.db2.gz SCFQQWBWCYGRSR-KBPBESRZSA-N 1 0 265.401 2.381 10 0 CEAERO CC[C@H](C)N(CC)S(=O)(=O)c1cc(C[NH3+])ccc1C ZINC000070430547 175926144 /nfs/dbraw/zinc/92/61/44/175926144.db2.gz KPALQMKDCQAFIN-LBPRGKRZSA-N 1 0 284.425 2.263 10 0 CEAERO CCc1c(C)nc(-c2cccnc2)nc1N1CCC[NH2+]CC1 ZINC000070451967 175940039 /nfs/dbraw/zinc/94/00/39/175940039.db2.gz MVZZHFFSYOBYOU-UHFFFAOYSA-N 1 0 297.406 2.209 10 0 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HXMQTPDJYOYGOQ-WFASDCNBSA-N 1 0 296.436 2.263 10 0 CEAERO CCc1ccc(CN(CCOC)CCC(N)=[NH2+])cc1 ZINC000071229053 176091000 /nfs/dbraw/zinc/09/10/00/176091000.db2.gz RFRDJNGWCDSBDR-UHFFFAOYSA-N 1 0 263.385 2.023 10 0 CEAERO CCC[C@H](C)N(C)S(=O)(=O)c1ccc(F)c(C[NH3+])c1 ZINC000071240405 176094288 /nfs/dbraw/zinc/09/42/88/176094288.db2.gz HEKIOOYWXRNEIX-JTQLQIEISA-N 1 0 288.388 2.094 10 0 CEAERO CC(C)(C)OC(=O)N1CCCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000071257588 176096076 /nfs/dbraw/zinc/09/60/76/176096076.db2.gz OFOZKWYGKIHBAG-VXGBXAGGSA-N 1 0 254.374 2.386 10 0 CEAERO C[C@@H]1CC[N@H+](Cc2ccc(F)cc2C(N)=S)C1 ZINC000071265871 176099049 /nfs/dbraw/zinc/09/90/49/176099049.db2.gz QMFJLPDEAHVLAY-SECBINFHSA-N 1 0 252.358 2.302 10 0 CEAERO C[C@H](Cc1cccs1)n1nnnc1C[NH2+]C(C)(C)C ZINC000071271999 176104841 /nfs/dbraw/zinc/10/48/41/176104841.db2.gz PYKVDXIOSDFGPH-SNVBAGLBSA-N 1 0 279.413 2.426 10 0 CEAERO CC1(C(=O)NCc2ccc(Cl)s2)CC[NH2+]CC1 ZINC000071308335 176116326 /nfs/dbraw/zinc/11/63/26/176116326.db2.gz MNCGNLAGZDOPBP-UHFFFAOYSA-N 1 0 272.801 2.407 10 0 CEAERO CN(c1c(F)c(F)c(F)c(F)c1F)[C@@H]1CC[NH2+]C1 ZINC000071311883 176118817 /nfs/dbraw/zinc/11/88/17/176118817.db2.gz PFEXVHZTURGWBH-RXMQYKEDSA-N 1 0 266.213 2.180 10 0 CEAERO CCN(C(=O)Cc1cccc(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000071312467 176119239 /nfs/dbraw/zinc/11/92/39/176119239.db2.gz JGQILBNIUDBFJF-CYBMUJFWSA-N 1 0 266.772 2.093 10 0 CEAERO CCCN([C@@H](C)c1cnn(CC)c1)[C@H]1CC[NH2+]C1 ZINC000071315028 176121639 /nfs/dbraw/zinc/12/16/39/176121639.db2.gz IZEWFOILLRIWQE-JSGCOSHPSA-N 1 0 250.390 2.038 10 0 CEAERO CCCN(CC(=O)Nc1cccc(CC)c1)[C@@H]1CC[NH2+]C1 ZINC000071331723 176125124 /nfs/dbraw/zinc/12/51/24/176125124.db2.gz RXZOSPFXBCAFAR-MRXNPFEDSA-N 1 0 289.423 2.261 10 0 CEAERO C[C@@H]1CCC[NH2+][C@@H]1CNC(=O)c1cc(F)ccc1F ZINC000071338688 176129039 /nfs/dbraw/zinc/12/90/39/176129039.db2.gz SBGGVPFPCGASHC-NOZJJQNGSA-N 1 0 268.307 2.083 10 0 CEAERO Cc1ccc(F)cc1C(=O)NC[C@H]1[NH2+]CCC[C@H]1C ZINC000071338872 176129260 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CCn1c(C[NH3+])nnc1SCc1ccccc1C ZINC000071374665 176139831 /nfs/dbraw/zinc/13/98/31/176139831.db2.gz VTZFHJXNBIYAPF-UHFFFAOYSA-N 1 0 262.382 2.357 10 0 CEAERO CCn1c(C[NH3+])nnc1SCc1nc2ccccc2o1 ZINC000071374764 176140599 /nfs/dbraw/zinc/14/05/99/176140599.db2.gz TUDNMHLHUWVKER-UHFFFAOYSA-N 1 0 289.364 2.190 10 0 CEAERO Cc1ccc(N)c(CN2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000071384081 176146899 /nfs/dbraw/zinc/14/68/99/176146899.db2.gz SZWYCIURDOUWQI-HNNXBMFYSA-N 1 0 259.397 2.247 10 0 CEAERO CCC[NH+]1CCN(C(=O)c2ccc(N)c(Cl)c2)CC1 ZINC000071394936 176149642 /nfs/dbraw/zinc/14/96/42/176149642.db2.gz YBOQDDULQKMDEU-UHFFFAOYSA-N 1 0 281.787 2.090 10 0 CEAERO CCOC(=O)[C@H](C)Oc1ccc(C[NH3+])cc1C(F)(F)F ZINC000071398304 176151837 /nfs/dbraw/zinc/15/18/37/176151837.db2.gz FNYYVKKKPJZZLS-QMMMGPOBSA-N 1 0 291.269 2.495 10 0 CEAERO [NH3+]Cc1ccc(O[C@@H]2CCC[C@H]2O)c(C(F)(F)F)c1 ZINC000071398359 176151852 /nfs/dbraw/zinc/15/18/52/176151852.db2.gz YBWBBIYPFORJGY-ZYHUDNBSSA-N 1 0 275.270 2.456 10 0 CEAERO COC(=O)COc1ccc(C[C@@H](C)[NH3+])cc1C(F)(F)F ZINC000071399691 176152168 /nfs/dbraw/zinc/15/21/68/176152168.db2.gz AQIJQRRRPMIOSU-MRVPVSSYSA-N 1 0 291.269 2.147 10 0 CEAERO CCC(C)(C)NC(=O)COc1ccc(C)cc1C[NH2+]C ZINC000071403494 176154610 /nfs/dbraw/zinc/15/46/10/176154610.db2.gz KBFYGILPVXMZOH-UHFFFAOYSA-N 1 0 278.396 2.398 10 0 CEAERO Cc1ccc(O[C@H](C)C(=O)N2CCCCC2)c(CC[NH3+])c1 ZINC000071411364 176157088 /nfs/dbraw/zinc/15/70/88/176157088.db2.gz NOVRIKDVXLCUCD-CQSZACIVSA-N 1 0 290.407 2.276 10 0 CEAERO Cc1ccc(OCC(=O)NC2CCCCC2)c(CC[NH3+])c1 ZINC000071411510 176157151 /nfs/dbraw/zinc/15/71/51/176157151.db2.gz ILERDPGQKIPXNB-UHFFFAOYSA-N 1 0 290.407 2.324 10 0 CEAERO Cc1ccc(OCC(=O)N[C@@H](C)C(C)C)c(CC[NH3+])c1 ZINC000071411454 176157207 /nfs/dbraw/zinc/15/72/07/176157207.db2.gz LKNIUJPDVNSXHU-ZDUSSCGKSA-N 1 0 278.396 2.036 10 0 CEAERO Cc1ccc(OCCn2cccn2)c(C[C@H](C)[NH3+])c1 ZINC000071411946 176157540 /nfs/dbraw/zinc/15/75/40/176157540.db2.gz DEELMNLNTNQLPH-ZDUSSCGKSA-N 1 0 259.353 2.160 10 0 CEAERO CC[C@H]([NH3+])Cc1cc(C)ccc1OCc1nnc(C)n1C ZINC000071412308 176157544 /nfs/dbraw/zinc/15/75/44/176157544.db2.gz ODTZYEPQRHQZKF-AWEZNQCLSA-N 1 0 288.395 2.291 10 0 CEAERO CC[NH+](CC)CCNC(=O)c1c(C)nc2cc(C)ccn21 ZINC000071476264 176187226 /nfs/dbraw/zinc/18/72/26/176187226.db2.gz QWLACGFEUGZYBP-UHFFFAOYSA-N 1 0 288.395 2.023 10 0 CEAERO COc1ccc([C@@H](O)[C@H](C)[NH2+]C(C)C)cc1OC ZINC000071574761 176201758 /nfs/dbraw/zinc/20/17/58/176201758.db2.gz LYFAMPQJBWFRBY-HZMBPMFUSA-N 1 0 253.342 2.124 10 0 CEAERO COc1ccc([C@@H](O)[C@@H](C)[NH2+]C(C)C)c(OC)c1 ZINC000071574774 176201795 /nfs/dbraw/zinc/20/17/95/176201795.db2.gz WPWHCEUDINNTRI-YGRLFVJLSA-N 1 0 253.342 2.124 10 0 CEAERO O[C@@H](C[NH2+]C1CC1)Cc1ccccc1Br ZINC000071601370 176228217 /nfs/dbraw/zinc/22/82/17/176228217.db2.gz FIARMRVCKJGGGB-LLVKDONJSA-N 1 0 270.170 2.105 10 0 CEAERO COc1ccc([C@@H]2Cc3n[nH]cc3[C@H]([NH3+])C2)cc1OC ZINC000072415372 176399200 /nfs/dbraw/zinc/39/92/00/176399200.db2.gz URKJMQZAIBPKTB-CMPLNLGQSA-N 1 0 273.336 2.157 10 0 CEAERO C[C@@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)c1ccc2c(c1)CCCC2 ZINC000662450675 415849344 /nfs/dbraw/zinc/84/93/44/415849344.db2.gz FDGDIFNQLIITER-HFBAOOFYSA-N 1 0 272.392 2.480 10 0 CEAERO Cc1cc(C)nc(N2CCC([C@H]3CCC[NH2+]C3)CC2)n1 ZINC000656609123 415784703 /nfs/dbraw/zinc/78/47/03/415784703.db2.gz PHULPRFEXLIBMJ-HNNXBMFYSA-N 1 0 274.412 2.309 10 0 CEAERO Cc1nnc(N2CCC[C@H](C3CC[NH2+]CC3)C2)s1 ZINC000656609228 415785147 /nfs/dbraw/zinc/78/51/47/415785147.db2.gz RRPLIVFWKWWDSA-LBPRGKRZSA-N 1 0 266.414 2.063 10 0 CEAERO CC[C@@H](C)CC[NH2+]C[C@@H](O)COCc1ccco1 ZINC000656704202 415825790 /nfs/dbraw/zinc/82/57/90/415825790.db2.gz HEJIBIODVFTQQG-CHWSQXEVSA-N 1 0 255.358 2.183 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@H](OC)C1CCC1 ZINC000660108876 415885087 /nfs/dbraw/zinc/88/50/87/415885087.db2.gz HIFDUKMDZZCWBP-PMPSAXMXSA-N 1 0 266.429 2.360 10 0 CEAERO O=C([C@@H]1C[C@H]2C[C@H]2C1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662588388 415894671 /nfs/dbraw/zinc/89/46/71/415894671.db2.gz BDADEPUQDMMHEG-LVQVYYBASA-N 1 0 276.424 2.271 10 0 CEAERO CC1CC(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)C1 ZINC000662594348 415896561 /nfs/dbraw/zinc/89/65/61/415896561.db2.gz JAQZRIPMQYOVHI-HNFVBEJKSA-N 1 0 264.413 2.271 10 0 CEAERO [NH3+]C1(CC(=O)N2CCCC[C@H]2c2nccs2)CC1 ZINC000662707752 415937747 /nfs/dbraw/zinc/93/77/47/415937747.db2.gz PHLJUZGXNSVPHC-JTQLQIEISA-N 1 0 265.382 2.078 10 0 CEAERO COc1cc(C)c([C@@H](O)[C@@H](C)[NH2+]C2CC2)c(OC)c1 ZINC000076372350 177008578 /nfs/dbraw/zinc/00/85/78/177008578.db2.gz DMVCMWTUAAEOPF-BMIGLBTASA-N 1 0 265.353 2.186 10 0 CEAERO C[NH2+]CCC(=O)N[C@@H](C)c1cc(C)n(C(C)C)c1C ZINC000076372863 177008919 /nfs/dbraw/zinc/00/89/19/177008919.db2.gz HXUSOYWXQAZOTQ-LBPRGKRZSA-N 1 0 265.401 2.473 10 0 CEAERO COc1ccc(Cl)cc1NC(=O)[C@@H](C)CC[NH3+] ZINC000076663462 177050173 /nfs/dbraw/zinc/05/01/73/177050173.db2.gz FYQZQBPWGHGFSF-QMMMGPOBSA-N 1 0 256.733 2.272 10 0 CEAERO [NH3+]CC[C@H](C(=O)NCc1ccccc1)c1cccs1 ZINC000076720836 177069975 /nfs/dbraw/zinc/06/99/75/177069975.db2.gz LJHGJYIAOFNIRX-ZDUSSCGKSA-N 1 0 274.389 2.497 10 0 CEAERO C[NH2+][C@H](C)c1cn2cccc(Br)c2n1 ZINC000076792723 177097703 /nfs/dbraw/zinc/09/77/03/177097703.db2.gz MMUBXVKGDRXBFQ-SSDOTTSWSA-N 1 0 254.131 2.377 10 0 CEAERO COc1cc(NC(=O)[C@H](C)CC[NH3+])c(OC)cc1Cl ZINC000076800723 177099211 /nfs/dbraw/zinc/09/92/11/177099211.db2.gz LLMARSYIDVWBEX-MRVPVSSYSA-N 1 0 286.759 2.281 10 0 CEAERO Cc1ccccc1S(=O)(=O)N(CC[NH3+])C1CCCCC1 ZINC000076862656 177124908 /nfs/dbraw/zinc/12/49/08/177124908.db2.gz WRPBPWNBHJZRRL-UHFFFAOYSA-N 1 0 296.436 2.277 10 0 CEAERO Cc1ccc(C[NH2+]CC(=O)N2CCCCC2)c(C)c1 ZINC000077170750 177229210 /nfs/dbraw/zinc/22/92/10/177229210.db2.gz WSGMPCWXUCJQBU-UHFFFAOYSA-N 1 0 260.381 2.406 10 0 CEAERO C[C@@H]1COC[C@@H](C)[NH+]1CCC(=O)Nc1ccccc1F ZINC000077366338 177257464 /nfs/dbraw/zinc/25/74/64/177257464.db2.gz OGNQAHWPDRYVJR-VXGBXAGGSA-N 1 0 280.343 2.264 10 0 CEAERO C[C@@H]1COC[C@@H](C)[NH+]1CCC(=O)N1CCc2ccccc21 ZINC000077366353 177257525 /nfs/dbraw/zinc/25/75/25/177257525.db2.gz XTDJEIKDZAGNDW-ZIAGYGMSSA-N 1 0 288.391 2.075 10 0 CEAERO CC(C)Oc1ccccc1N(C)C(=O)CCC[NH3+] ZINC000077431969 177267625 /nfs/dbraw/zinc/26/76/25/177267625.db2.gz ACZWNTXPTOFQPZ-UHFFFAOYSA-N 1 0 250.342 2.176 10 0 CEAERO Nc1cc[nH+]cc1C[C@H](O)c1ccc2ccccc2n1 ZINC000078656797 177367207 /nfs/dbraw/zinc/36/72/07/177367207.db2.gz QHBXXIHKKAZZEA-INIZCTEOSA-N 1 0 265.316 2.488 10 0 CEAERO C[C@H](CNC(=O)c1ccc(N)c(Cl)c1)C[NH+]1CCCC1 ZINC000078894701 177402800 /nfs/dbraw/zinc/40/28/00/177402800.db2.gz SWHRRLFYFTXIJC-LLVKDONJSA-N 1 0 295.814 2.384 10 0 CEAERO Cc1ccc(CN(C)C(=O)CC[C@H](C)CC[NH3+])o1 ZINC000079079878 177429866 /nfs/dbraw/zinc/42/98/66/177429866.db2.gz HAGSFASLUVMFRC-NSHDSACASA-N 1 0 252.358 2.312 10 0 CEAERO C[C@@H](CC[NH3+])CCC(=O)N(C)[C@H](C)c1ccncc1 ZINC000079118799 177436724 /nfs/dbraw/zinc/43/67/24/177436724.db2.gz CHOWCZYSFPCSEY-CHWSQXEVSA-N 1 0 263.385 2.366 10 0 CEAERO COC(=O)c1cccc(NC(=O)CC[C@H](C)CC[NH3+])c1 ZINC000079191871 177442263 /nfs/dbraw/zinc/44/22/63/177442263.db2.gz VHCVNEQDQMHKJC-NSHDSACASA-N 1 0 278.352 2.177 10 0 CEAERO CC(C)[NH2+]C[C@H](O)CN1CC[C@@H](C(C)(C)C)CCC1=O ZINC000079282635 177463094 /nfs/dbraw/zinc/46/30/94/177463094.db2.gz TWKKFAVTJBQPSW-KBPBESRZSA-N 1 0 284.444 2.020 10 0 CEAERO C[C@@H]1CN(C(=O)CC[C@@H](CC[NH3+])C(C)(C)C)[C@H](C)CO1 ZINC000079289943 177464572 /nfs/dbraw/zinc/46/45/72/177464572.db2.gz ZFRGCKFYQVYJPU-MCIONIFRSA-N 1 0 284.444 2.414 10 0 CEAERO C[C@@]1(C(=O)N[C@H]2CCCc3ccccc32)CCC[NH2+]1 ZINC000079512186 177510321 /nfs/dbraw/zinc/51/03/21/177510321.db2.gz LCRWCFMCDOGLPC-HOCLYGCPSA-N 1 0 258.365 2.322 10 0 CEAERO CCC(=O)Nc1cccc(NC(=O)[C@]2(C)CCC[NH2+]2)c1C ZINC000079515665 177512231 /nfs/dbraw/zinc/51/22/31/177512231.db2.gz RSJDRQJQBSKVRS-INIZCTEOSA-N 1 0 289.379 2.424 10 0 CEAERO CC(C)OCCOC[C@@H](O)C[NH2+]C1CCC(C)(C)CC1 ZINC000079678863 177536210 /nfs/dbraw/zinc/53/62/10/177536210.db2.gz ZBGQINBQEAFRDM-HNNXBMFYSA-N 1 0 287.444 2.347 10 0 CEAERO CC[C@H]([NH3+])Cc1noc(-c2ccc(Cl)cn2)n1 ZINC000079731281 177545823 /nfs/dbraw/zinc/54/58/23/177545823.db2.gz HBDIZFHGAYQEQE-QMMMGPOBSA-N 1 0 252.705 2.065 10 0 CEAERO COC(=O)COC[C@@H]([NH3+])c1ccc(C)c2ccccc21 ZINC000079905224 177579345 /nfs/dbraw/zinc/57/93/45/177579345.db2.gz YLFZGJAPKKZETF-OAHLLOKOSA-N 1 0 273.332 2.338 10 0 CEAERO CC(C)c1[nH+]c2cc(N)ccc2n1C[C@@H]1CCC(=O)N1 ZINC000079939020 177584020 /nfs/dbraw/zinc/58/40/20/177584020.db2.gz STKXXBCPHFIAQH-NSHDSACASA-N 1 0 272.352 2.021 10 0 CEAERO Cc1ccnn1C[C@@H]1CC[C@H](C[NH2+]C(C)(C)C)O1 ZINC000080006727 177593803 /nfs/dbraw/zinc/59/38/03/177593803.db2.gz ITLAZNRGEHKJJY-OLZOCXBDSA-N 1 0 251.374 2.127 10 0 CEAERO Cc1c(Cl)cnn1C[C@H]1CC[C@@H](C[NH2+]C2CC2)O1 ZINC000080018700 177597111 /nfs/dbraw/zinc/59/71/11/177597111.db2.gz XFNZHTHZCREVRQ-NWDGAFQWSA-N 1 0 269.776 2.145 10 0 CEAERO C[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000092793675 287394892 /nfs/dbraw/zinc/39/48/92/287394892.db2.gz OBXFMMFTJAYOMT-MGPQQGTHSA-N 1 0 252.402 2.365 10 0 CEAERO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCC[C@@H]2CCCO)C1 ZINC000318597327 419486629 /nfs/dbraw/zinc/48/66/29/419486629.db2.gz VCIHEVAMHROFAU-OWCLPIDISA-N 1 0 268.445 2.201 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)NCc1ccccc1Cl ZINC000136296719 419444415 /nfs/dbraw/zinc/44/44/15/419444415.db2.gz LTMFAHVMRSEGBT-LBPRGKRZSA-N 1 0 254.761 2.330 10 0 CEAERO COc1cccc(CN(C)C(=O)C[C@H]([NH3+])C(C)C)c1 ZINC000136373258 419448709 /nfs/dbraw/zinc/44/87/09/419448709.db2.gz LNIDDLGDLKGBNO-AWEZNQCLSA-N 1 0 264.369 2.027 10 0 CEAERO Cc1cc(F)ccc1CCNC(=O)C[C@H]([NH3+])C(C)C ZINC000136490542 419449712 /nfs/dbraw/zinc/44/97/12/419449712.db2.gz FITHNJRGARNMCP-AWEZNQCLSA-N 1 0 266.360 2.166 10 0 CEAERO CCC1(CC)CCC[N@H+](C[C@@H](O)CN2CCCC2=O)CC1 ZINC000190415502 270268661 /nfs/dbraw/zinc/26/86/61/270268661.db2.gz VJUWJDPWVJKVCD-OAHLLOKOSA-N 1 0 296.455 2.262 10 0 CEAERO Cc1cc(C[N@H+]2CCC[C@@H]2C(=O)N(C)C)c(C)s1 ZINC000194368775 270297877 /nfs/dbraw/zinc/29/78/77/270297877.db2.gz IMJNFBLZDCBQFB-CYBMUJFWSA-N 1 0 266.410 2.418 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)CCCOc2ccccc2)C1 ZINC000194628997 270302230 /nfs/dbraw/zinc/30/22/30/270302230.db2.gz DBOJCSVVILECMD-OAHLLOKOSA-N 1 0 290.407 2.446 10 0 CEAERO CC(C)Cc1nnc(NC(=O)C[C@@H]2CCC[NH2+]C2)s1 ZINC000230296195 270314092 /nfs/dbraw/zinc/31/40/92/270314092.db2.gz QOJXQYADGIISBO-JTQLQIEISA-N 1 0 282.413 2.065 10 0 CEAERO Cc1nnsc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000311544299 270333149 /nfs/dbraw/zinc/33/31/49/270333149.db2.gz OCJBJGSPJOFZPF-JHJVBQTASA-N 1 0 281.425 2.362 10 0 CEAERO CC[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)c1cccs1 ZINC000393023732 270341396 /nfs/dbraw/zinc/34/13/96/270341396.db2.gz SSDKVVQEMQEWAW-DCAQKATOSA-N 1 0 252.383 2.456 10 0 CEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CC/C=C\c1ccccc1 ZINC000392927454 270341628 /nfs/dbraw/zinc/34/16/28/270341628.db2.gz DEGZQZUSRUOPLV-VIUFGFMOSA-N 1 0 258.365 2.347 10 0 CEAERO Cn1nccc1C[NH2+]C(C)(C)CCNC(=O)OC(C)(C)C ZINC000397457546 270354010 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CC(C)C[C@H](C[NH3+])Nc1nc(C(F)(F)F)ns1 ZINC000228790027 275914348 /nfs/dbraw/zinc/91/43/48/275914348.db2.gz SYUQIKBPFSEQTN-ZCFIWIBFSA-N 1 0 268.308 2.342 10 0 CEAERO CCCS(=O)(=O)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000182742374 276020331 /nfs/dbraw/zinc/02/03/31/276020331.db2.gz VENUXMKWEMTVEJ-CQSZACIVSA-N 1 0 294.420 2.211 10 0 CEAERO CCC[C@H](C(=O)NC[C@@](C)(O)C1CCCCC1)[NH+](C)C ZINC000190498170 276038550 /nfs/dbraw/zinc/03/85/50/276038550.db2.gz BLFGMYVCQSFFEJ-GDBMZVCRSA-N 1 0 284.444 2.164 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCS[C@H](C)[C@H]2C)C1 ZINC000246410225 276177178 /nfs/dbraw/zinc/17/71/78/276177178.db2.gz QHXMEWHOIADAFN-UPJWGTAASA-N 1 0 285.457 2.006 10 0 CEAERO CCC1(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)CCC1 ZINC000158969339 276214877 /nfs/dbraw/zinc/21/48/77/276214877.db2.gz OQRDKCZILUISOJ-STQMWFEESA-N 1 0 252.402 2.412 10 0 CEAERO CCO[C@@H]1C[C@@H]([N@H+](C)CCCCO)C12CCCC2 ZINC000121185011 276343389 /nfs/dbraw/zinc/34/33/89/276343389.db2.gz GVRZMBXUDIGATN-ZIAGYGMSSA-N 1 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/nfs/dbraw/zinc/00/73/99/278007399.db2.gz QZROPXKXCJFLJG-UHFFFAOYSA-N 1 0 295.342 2.357 10 0 CEAERO CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)C1 ZINC000261938499 278145550 /nfs/dbraw/zinc/14/55/50/278145550.db2.gz MPAJQLMCVUKRLU-GCSSGZNBSA-N 1 0 298.496 2.407 10 0 CEAERO C[C@@H](C(=O)NC1CCC(C(F)(F)F)CC1)[C@H](C)[NH3+] ZINC000134124452 278205377 /nfs/dbraw/zinc/20/53/77/278205377.db2.gz FLWQXGNYSCZAFL-XHHQTKHESA-N 1 0 266.307 2.207 10 0 CEAERO C[C@@H](C[NH3+])c1cnc2ccc(Br)cn21 ZINC000033507411 278251083 /nfs/dbraw/zinc/25/10/83/278251083.db2.gz OJVCTVVLNUKLBU-ZETCQYMHSA-N 1 0 254.131 2.159 10 0 CEAERO C[C@@H]([NH3+])CC(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000261817912 278305777 /nfs/dbraw/zinc/30/57/77/278305777.db2.gz HPEMGODKILDLPJ-RNCFNFMXSA-N 1 0 250.317 2.057 10 0 CEAERO C[C@H]1CCN(C(=O)NC2CCCCC2)[C@@H](C[NH3+])C1 ZINC000235623216 278358854 /nfs/dbraw/zinc/35/88/54/278358854.db2.gz RKYAVZXRDIBMDA-WCQYABFASA-N 1 0 253.390 2.088 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@H]2C[NH3+])CC1 ZINC000091304159 278393570 /nfs/dbraw/zinc/39/35/70/278393570.db2.gz KBQCLINUFRQRTK-FZMZJTMJSA-N 1 0 254.374 2.372 10 0 CEAERO CC(C)(C)OC(=O)N1CC[NH2+][C@H]2CCCC[C@H]2C1 ZINC000095215335 278401098 /nfs/dbraw/zinc/40/10/98/278401098.db2.gz HRQAUZRRQQJTJN-RYUDHWBXSA-N 1 0 254.374 2.386 10 0 CEAERO C[C@H]1CN(c2ncccc2Br)CC[C@@H]1[NH3+] ZINC000086887337 278447478 /nfs/dbraw/zinc/44/74/78/278447478.db2.gz HJIIQLKKKGZDPC-WPRPVWTQSA-N 1 0 270.174 2.018 10 0 CEAERO C[C@](CCc1ccc(O)cc1)([NH2+]C1CCCCC1)C(N)=O ZINC000037969740 278552583 /nfs/dbraw/zinc/55/25/83/278552583.db2.gz FFSXWKGBJRSTSZ-QGZVFWFLSA-N 1 0 290.407 2.491 10 0 CEAERO C[C@@H]1CCN(c2ncc(Cl)cc2F)C[C@@H]1C[NH3+] ZINC000163926574 278559313 /nfs/dbraw/zinc/55/93/13/278559313.db2.gz FBECXHXBOLYMQN-BDAKNGLRSA-N 1 0 257.740 2.295 10 0 CEAERO C[C@@H]1CCN(c2nccc(C(C)(C)C)n2)C[C@H]1C[NH3+] ZINC000261590291 278559493 /nfs/dbraw/zinc/55/94/93/278559493.db2.gz LGYLVJXJMHZNKG-VXGBXAGGSA-N 1 0 262.401 2.195 10 0 CEAERO C[C@@H]1CCN(c2ncnc3sccc32)[C@H](C[NH3+])C1 ZINC000261551115 278560073 /nfs/dbraw/zinc/56/00/73/278560073.db2.gz SDCYYQKLMJAHAW-ZJUUUORDSA-N 1 0 262.382 2.255 10 0 CEAERO C[C@@H]1CN(c2ccc(C(F)(F)F)cn2)CC[C@@H]1[NH3+] ZINC000094342796 278802163 /nfs/dbraw/zinc/80/21/63/278802163.db2.gz KWIYWLWGOHRPKY-SCZZXKLOSA-N 1 0 259.275 2.274 10 0 CEAERO C[C@@H]1CN(c2ncccc2Br)[C@H](C)C[NH2+]1 ZINC000083118982 278816392 /nfs/dbraw/zinc/81/63/92/278816392.db2.gz HQIRJQLWOLYLIC-RKDXNWHRSA-N 1 0 270.174 2.031 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCc2sccc2C1 ZINC000335537261 279034001 /nfs/dbraw/zinc/03/40/01/279034001.db2.gz YJNWLQIDJCGYKI-CMPLNLGQSA-N 1 0 264.394 2.021 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cccc(Cl)n1 ZINC000051073309 279132580 /nfs/dbraw/zinc/13/25/80/279132580.db2.gz BSWOYGCKQNGICM-LLVKDONJSA-N 1 0 283.803 2.441 10 0 CEAERO C[C@H](CC[NH+](C)C)N[C@@H]1CC(=O)N(C)c2ccccc21 ZINC000049554359 279258139 /nfs/dbraw/zinc/25/81/39/279258139.db2.gz YPKAHHRCKSKPET-TZMCWYRMSA-N 1 0 275.396 2.024 10 0 CEAERO CC(C)N(Cc1ccccc1)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000111263231 279461107 /nfs/dbraw/zinc/46/11/07/279461107.db2.gz RRYPLWMTWCTJPA-UKRRQHHQSA-N 1 0 260.381 2.279 10 0 CEAERO CCOC[C@H](C)[NH2+][C@H]1CCN(CCc2ccccc2)C1 ZINC000044691941 279601671 /nfs/dbraw/zinc/60/16/71/279601671.db2.gz AGYPYIXIKNBGRI-RDJZCZTQSA-N 1 0 276.424 2.318 10 0 CEAERO C[NH+](C)C[C@@H](NC(=O)NCC1CCC1)c1ccccc1 ZINC000048217303 279612822 /nfs/dbraw/zinc/61/28/22/279612822.db2.gz WGHJSGUEUPEFKR-OAHLLOKOSA-N 1 0 275.396 2.389 10 0 CEAERO C[C@H]1CCN(C(=O)c2cccc3cccnc32)[C@@H](C[NH3+])C1 ZINC000235703726 279712685 /nfs/dbraw/zinc/71/26/85/279712685.db2.gz LNIYLWZEVNTCRH-GXTWGEPZSA-N 1 0 283.375 2.434 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+]CCCSC)C12CCOCC2 ZINC000186346268 279919749 /nfs/dbraw/zinc/91/97/49/279919749.db2.gz RMSQINPAFWPLIU-OLZOCXBDSA-N 1 0 273.442 2.303 10 0 CEAERO CC[NH+](CC)CCN(CC(C)C)C(=O)[C@H]1CC[C@@H](C)O1 ZINC000133532653 279999825 /nfs/dbraw/zinc/99/98/25/279999825.db2.gz AFPHUERMUXVAPQ-HUUCEWRRSA-N 1 0 284.444 2.380 10 0 CEAERO CC(C)NC(=O)CC[NH2+]Cc1ccnc2ccccc12 ZINC000134613670 280026949 /nfs/dbraw/zinc/02/69/49/280026949.db2.gz BJXLSWCLTVRTAB-UHFFFAOYSA-N 1 0 271.364 2.239 10 0 CEAERO CCS[C@H]1CCC[C@H]1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000227431797 280060053 /nfs/dbraw/zinc/06/00/53/280060053.db2.gz XMMNZZHGLWSBQQ-LPWJVIDDSA-N 1 0 270.442 2.152 10 0 CEAERO CC(C)(O)C[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182800637 280111338 /nfs/dbraw/zinc/11/13/38/280111338.db2.gz MAWAWNUDYXRINW-SNVBAGLBSA-N 1 0 291.317 2.310 10 0 CEAERO Cc1cc(CN2CCCNC(=O)[C@H]2C)ccc1Cl ZINC000189093772 280142488 /nfs/dbraw/zinc/14/24/88/280142488.db2.gz MBHFFQJRKDXAPS-LLVKDONJSA-N 1 0 266.772 2.359 10 0 CEAERO CCC[C@H](CC)NC(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000195394229 280203763 /nfs/dbraw/zinc/20/37/63/280203763.db2.gz IBMFJEKKDKCJQL-STQMWFEESA-N 1 0 255.406 2.349 10 0 CEAERO CC(C)[C@@H](C[NH2+]Cc1ncn(C)n1)c1ccccc1 ZINC000232722382 280219358 /nfs/dbraw/zinc/21/93/58/280219358.db2.gz XYQJQMQHWWHZEJ-CQSZACIVSA-N 1 0 258.369 2.345 10 0 CEAERO CC(C)[C@H](O)CC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000246282644 280285726 /nfs/dbraw/zinc/28/57/26/280285726.db2.gz NSVROYFVSTZQRX-RBSFLKMASA-N 1 0 298.471 2.266 10 0 CEAERO O=C1NCCC[C@@H]1C[NH+]1CCC2(CCCC2)CC1 ZINC000334557613 280286598 /nfs/dbraw/zinc/28/65/98/280286598.db2.gz UIUOEOJWDPZRPP-CYBMUJFWSA-N 1 0 250.386 2.169 10 0 CEAERO CC(C)C[C@H](C)NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246876920 280313062 /nfs/dbraw/zinc/31/30/62/280313062.db2.gz WPQISXJBVJXNTI-HZSPNIEDSA-N 1 0 269.433 2.449 10 0 CEAERO CCN1CCC[C@H]([NH2+][C@H](C)c2cncc(F)c2)C1 ZINC000246927441 280314461 /nfs/dbraw/zinc/31/44/61/280314461.db2.gz GXKYUUFHONGVJS-RISCZKNCSA-N 1 0 251.349 2.356 10 0 CEAERO CCc1nnc(C[N@@H+]2C[C@@H](C)CCC[C@H]2C)n1C ZINC000247017014 280317797 /nfs/dbraw/zinc/31/77/97/280317797.db2.gz UKTZSIBBAQGMRX-NWDGAFQWSA-N 1 0 250.390 2.388 10 0 CEAERO CCc1nnc(C[N@@H+]2C[C@H](C)CCC[C@H]2C)n1C ZINC000247017022 280317822 /nfs/dbraw/zinc/31/78/22/280317822.db2.gz UKTZSIBBAQGMRX-VXGBXAGGSA-N 1 0 250.390 2.388 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC1(CC)CC1 ZINC000247066182 280319252 /nfs/dbraw/zinc/31/92/52/280319252.db2.gz PNXQVHXOQDHBJZ-KGLIPLIRSA-N 1 0 279.428 2.445 10 0 CEAERO Cc1cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cc(C)c1F ZINC000134602412 280333956 /nfs/dbraw/zinc/33/39/56/280333956.db2.gz PBSBDWLBWDBTHY-CYBMUJFWSA-N 1 0 264.344 2.219 10 0 CEAERO CC[C@@H]1CN(C(=O)C[C@H]2CC[C@@H](C)C2)CC[N@@H+]1CCOC ZINC000247632795 280335621 /nfs/dbraw/zinc/33/56/21/280335621.db2.gz NYIHRVOHNZRYSR-OWCLPIDISA-N 1 0 296.455 2.382 10 0 CEAERO C[C@H](NC(=O)[C@H]1CC[C@@H](C)O1)[C@H](c1ccccc1)[NH+](C)C ZINC000248627079 280355695 /nfs/dbraw/zinc/35/56/95/280355695.db2.gz FCCJGCQIOIDPCA-OCVGTWLNSA-N 1 0 290.407 2.362 10 0 CEAERO CCC(C)(C)CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000248843615 280368040 /nfs/dbraw/zinc/36/80/40/280368040.db2.gz 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2.370 10 0 CEAERO CC[NH2+]Cc1cnn([C@H]2CCCCC[C@H]2O)c1C ZINC000054600498 520017094 /nfs/dbraw/zinc/01/70/94/520017094.db2.gz GLKDJPPJGSBCPT-UONOGXRCSA-N 1 0 251.374 2.167 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)NCc1cccc(Br)c1 ZINC000061274044 520064771 /nfs/dbraw/zinc/06/47/71/520064771.db2.gz WNWGNAQASFTKLM-JTQLQIEISA-N 1 0 299.212 2.453 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1ccc(OC)c(OC)c1 ZINC000061268899 520069179 /nfs/dbraw/zinc/06/91/79/520069179.db2.gz WWIOCHOBHFZBPN-JTQLQIEISA-N 1 0 266.341 2.030 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1c(C)nn(C(C)C)c1C ZINC000061271669 520066252 /nfs/dbraw/zinc/06/62/52/520066252.db2.gz MFSTYVJTWBERQZ-JTQLQIEISA-N 1 0 266.389 2.407 10 0 CEAERO CC[NH2+][C@@H](CC[N@H+](C)C1CCC(CC)CC1)C(=O)[O-] ZINC000062525953 520083784 /nfs/dbraw/zinc/08/37/84/520083784.db2.gz UMLSTMCRWOQYNI-RUXDESIVSA-N 1 0 270.417 2.340 10 0 CEAERO CC[NH2+][C@@H](CC)c1ccc(OC[C@H](O)COC)cc1 ZINC000069053580 520083893 /nfs/dbraw/zinc/08/38/93/520083893.db2.gz RSYCBYIFFNQRGG-HIFRSBDPSA-N 1 0 267.369 2.133 10 0 CEAERO CC[NH2+][C@@H](CC)c1nnc(-c2cccnc2OC)o1 ZINC000061513041 520084720 /nfs/dbraw/zinc/08/47/20/520084720.db2.gz JAGDJZOAVOWPPD-JTQLQIEISA-N 1 0 262.313 2.201 10 0 CEAERO CCN[C@@H](CC[NH+]1CCC(CC)CC1)C(=O)OCC ZINC000062526312 520089050 /nfs/dbraw/zinc/08/90/50/520089050.db2.gz OYAWHYIJJSNZNJ-AWEZNQCLSA-N 1 0 270.417 2.040 10 0 CEAERO CC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1S(C)(=O)=O ZINC000054930396 520122916 /nfs/dbraw/zinc/12/29/16/520122916.db2.gz MOLZUTWHLKZIJX-KFWWJZLASA-N 1 0 281.421 2.345 10 0 CEAERO CC[NH2+][C@@](C)(CSCc1cccc(C)c1)C(N)=O ZINC000054966378 520136344 /nfs/dbraw/zinc/13/63/44/520136344.db2.gz DTPHFFMCTRCCJG-AWEZNQCLSA-N 1 0 266.410 2.082 10 0 CEAERO CCN[C@@](C)(C[C@@H](C)[N@H+](C)CC1CCCCC1)C(N)=O ZINC000068638355 520139940 /nfs/dbraw/zinc/13/99/40/520139940.db2.gz HRBHQGHYJGXIBA-CJNGLKHVSA-N 1 0 283.460 2.131 10 0 CEAERO CCN[C@@](C)(C[C@H](C)[NH+]1CCC(CC)CC1)C(=O)OC ZINC000068638282 520145536 /nfs/dbraw/zinc/14/55/36/520145536.db2.gz VYYUBJDCXOEDJX-BBRMVZONSA-N 1 0 284.444 2.428 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N(CC)Cc1cccs1 ZINC000061272009 520163082 /nfs/dbraw/zinc/16/30/82/520163082.db2.gz LZJBUGRTBMRMJK-LLVKDONJSA-N 1 0 254.399 2.485 10 0 CEAERO CC[NH2+][C@H](C)c1cc(Cl)ccc1OC[C@@H](O)COC ZINC000069053765 520175880 /nfs/dbraw/zinc/17/58/80/520175880.db2.gz HVTDVFDRWFXNDI-PWSUYJOCSA-N 1 0 287.787 2.397 10 0 CEAERO CCCNc1snnc1CN1CC[NH+](CC(C)C)CC1 ZINC000055081524 520204709 /nfs/dbraw/zinc/20/47/09/520204709.db2.gz YLRMLOZANARPCT-UHFFFAOYSA-N 1 0 297.472 2.134 10 0 CEAERO CC[NH+](CC)C[C@@H](C)NC(=O)c1cccc(F)c1NC ZINC000054210865 520719370 /nfs/dbraw/zinc/71/93/70/520719370.db2.gz GMANJVPXBSHFHM-LLVKDONJSA-N 1 0 281.375 2.328 10 0 CEAERO CCN(CC1CC1)c1nc2sccn2c1C[NH2+]C ZINC000069238789 520971194 /nfs/dbraw/zinc/97/11/94/520971194.db2.gz YTCLINSQUIIRCX-UHFFFAOYSA-N 1 0 264.398 2.352 10 0 CEAERO CCOC(=O)[C@@H](CC[N@H+](C)[C@@H](C)C1CC1)NC(C)C ZINC000062449436 521054985 /nfs/dbraw/zinc/05/49/85/521054985.db2.gz QWGWWMNKEKJOGI-GXTWGEPZSA-N 1 0 270.417 2.037 10 0 CEAERO CCOc1ccc([C@@H](C)NC(=O)C(C)(C)[NH2+]C)cc1 ZINC000061316508 521214952 /nfs/dbraw/zinc/21/49/52/521214952.db2.gz UBEFSYFGBJQCIB-LLVKDONJSA-N 1 0 264.369 2.261 10 0 CEAERO CCOC(=O)[C@H](CC[N@H+](C)CC(C)(C)C)NC(C)C ZINC000062523053 521240660 /nfs/dbraw/zinc/24/06/60/521240660.db2.gz FDMRBZCMWIURRI-ZDUSSCGKSA-N 1 0 272.433 2.284 10 0 CEAERO CCOC(=O)[C@H](CC[N@H+](CC)CC(C)C)NC1CC1 ZINC000062445107 521242946 /nfs/dbraw/zinc/24/29/46/521242946.db2.gz WVJQFBGHDXHOOJ-AWEZNQCLSA-N 1 0 270.417 2.038 10 0 CEAERO CCOC(=O)[C@H](CC[N@H+](C)[C@@H](C)C(C)C)NC(C)C ZINC000062449036 521243169 /nfs/dbraw/zinc/24/31/69/521243169.db2.gz URWZYBHNCPWTIV-KBPBESRZSA-N 1 0 272.433 2.283 10 0 CEAERO CCC(CC)N(CC[NH3+])C(=O)CC[C@@H]1CCCCO1 ZINC000069405665 521550710 /nfs/dbraw/zinc/55/07/10/521550710.db2.gz JOXALZWMGVWIEJ-AWEZNQCLSA-N 1 0 270.417 2.312 10 0 CEAERO CCS(=O)(=O)CC[C@@H](C[NH2+]CC(C)C)C(C)C ZINC000052972778 521645104 /nfs/dbraw/zinc/64/51/04/521645104.db2.gz SIJAFKDWCGCKBW-ZDUSSCGKSA-N 1 0 263.447 2.329 10 0 CEAERO CCC[NH+](CCC)C[C@@](NC1CC1)(C(=O)OC)C1CC1 ZINC000069095543 521648136 /nfs/dbraw/zinc/64/81/36/521648136.db2.gz HBNVOAUPCHINEY-INIZCTEOSA-N 1 0 282.428 2.182 10 0 CEAERO COCC[C@@H]([NH3+])CN(Cc1cccs1)C(C)C ZINC000052810887 521832042 /nfs/dbraw/zinc/83/20/42/521832042.db2.gz OATUFJNWTLEVIF-GFCCVEGCSA-N 1 0 256.415 2.322 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N(Cc1cccs1)C1CC1 ZINC000061317132 521933201 /nfs/dbraw/zinc/93/32/01/521933201.db2.gz NBWHJNFYLAKDEP-UHFFFAOYSA-N 1 0 252.383 2.237 10 0 CEAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000061300357 521943406 /nfs/dbraw/zinc/94/34/06/521943406.db2.gz BIAJADBRVUPRQK-UHFFFAOYSA-N 1 0 258.268 2.225 10 0 CEAERO C[NH2+]C[C@@H](OC[C@H]1CCCO1)c1ccccc1OC ZINC000050494645 522038070 /nfs/dbraw/zinc/03/80/70/522038070.db2.gz IXZCSCPLBOACFL-IUODEOHRSA-N 1 0 265.353 2.151 10 0 CEAERO C[NH2+]C[C@H]1CC[C@@H](COc2cccc(F)c2F)O1 ZINC000062654274 522095203 /nfs/dbraw/zinc/09/52/03/522095203.db2.gz YUBRIDKQBLPGPH-ZJUUUORDSA-N 1 0 257.280 2.111 10 0 CEAERO CNCc1cc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)on1 ZINC000052482298 522105716 /nfs/dbraw/zinc/10/57/16/522105716.db2.gz WCHYMIISLYDMRI-QWHCGFSZSA-N 1 0 263.385 2.406 10 0 CEAERO CN[C@@H](CC[NH+]1CCC2(CCCCC2)CC1)C(=O)OC ZINC000062532918 522344456 /nfs/dbraw/zinc/34/44/56/522344456.db2.gz VLTJAPYWRAFZAH-AWEZNQCLSA-N 1 0 282.428 2.184 10 0 CEAERO CCc1nc(N2CCO[C@H](CC)C2)sc1C[NH2+]C ZINC000054997404 522388126 /nfs/dbraw/zinc/38/81/26/522388126.db2.gz REQVDCNTZDJPAR-SNVBAGLBSA-N 1 0 269.414 2.040 10 0 CEAERO C[NH2+][C@H](C)c1cnc(N(C)C[C@@H]2CCCO2)s1 ZINC000054907739 522452697 /nfs/dbraw/zinc/45/26/97/522452697.db2.gz UQQAXJFJJYXNCD-ZJUUUORDSA-N 1 0 255.387 2.039 10 0 CEAERO CCN1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)c2ccccc21 ZINC000178788537 517655885 /nfs/dbraw/zinc/65/58/85/517655885.db2.gz YXLKFQCVJAUBGC-KBPBESRZSA-N 1 0 287.407 2.377 10 0 CEAERO C[C@@H]1CCCN(c2ncnc3sccc32)[C@@H]1C[NH3+] ZINC000070178369 518179107 /nfs/dbraw/zinc/17/91/07/518179107.db2.gz YNIMRCKIAKUNOG-MWLCHTKSSA-N 1 0 262.382 2.255 10 0 CEAERO [NH3+][C@@H]1CC[C@H](C(=O)NC2C3CC4CC(C3)CC2C4)C1 ZINC000091539212 518197616 /nfs/dbraw/zinc/19/76/16/518197616.db2.gz LCSWJJAZJAWCLY-XFPRXBBRSA-N 1 0 262.397 2.055 10 0 CEAERO CC(=O)c1cnc(N2CCC(C[NH+](C)C)CC2)s1 ZINC000054862979 518479915 /nfs/dbraw/zinc/47/99/15/518479915.db2.gz RSHULINMFDCFPR-UHFFFAOYSA-N 1 0 267.398 2.124 10 0 CEAERO CC(C)(C)[NH2+]C[C@H]1CCCN1c1ncnc2c1CCC2 ZINC000061278250 518762867 /nfs/dbraw/zinc/76/28/67/518762867.db2.gz NEVQELQTGAVQSC-GFCCVEGCSA-N 1 0 274.412 2.322 10 0 CEAERO CC(C)(C)[NH2+]Cc1nnnn1-c1ccc(F)c(Cl)c1 ZINC000054744993 518767373 /nfs/dbraw/zinc/76/73/73/518767373.db2.gz ARKDKJKUBPHQBV-UHFFFAOYSA-N 1 0 283.738 2.343 10 0 CEAERO CC(C)(C)[NH2+]Cc1nnnn1CCc1ccc(Cl)cc1 ZINC000054747681 518769887 /nfs/dbraw/zinc/76/98/87/518769887.db2.gz AJBUVRIAQSENMB-UHFFFAOYSA-N 1 0 293.802 2.457 10 0 CEAERO CC(C)C[C@@H]([NH2+][C@@H](C)Cc1ccco1)C(=O)N(C)C ZINC000062769976 519252334 /nfs/dbraw/zinc/25/23/34/519252334.db2.gz QBOBWBKMXUHFNF-GXTWGEPZSA-N 1 0 266.385 2.303 10 0 CEAERO CC(C)C[C@@H]1C[NH2+][C@H](C(C)C)CN1CCn1cccn1 ZINC000068703326 519273827 /nfs/dbraw/zinc/27/38/27/519273827.db2.gz JTQJSXSFRSGLCB-CVEARBPZSA-N 1 0 278.444 2.228 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)Nc1ccc(N)c2nonc21 ZINC000049555038 519344719 /nfs/dbraw/zinc/34/47/19/519344719.db2.gz GWOXFBDKDRJWNV-SNVBAGLBSA-N 1 0 277.372 2.193 10 0 CEAERO CC(C)CCC[C@@H](C)NS(=O)(=O)C[C@H]1CCCC[NH2+]1 ZINC000049631410 519645670 /nfs/dbraw/zinc/64/56/70/519645670.db2.gz ZAKXJVALUPTTMR-ZIAGYGMSSA-N 1 0 290.473 2.263 10 0 CEAERO CC(C)CCOCCNC(=O)[C@@H]1CCC[C@H](CC[NH3+])C1 ZINC000055163144 519668056 /nfs/dbraw/zinc/66/80/56/519668056.db2.gz AFMSGSONKUNTEM-HUUCEWRRSA-N 1 0 284.444 2.321 10 0 CEAERO CC(C)[NH+]1CCN(Cc2cc3ccccc3nc2N)CC1 ZINC000050813871 519682425 /nfs/dbraw/zinc/68/24/25/519682425.db2.gz VLORSHQANWAMBO-UHFFFAOYSA-N 1 0 284.407 2.343 10 0 CEAERO CC(C)CN(CC(F)(F)F)C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000062857148 519714199 /nfs/dbraw/zinc/71/41/99/519714199.db2.gz XLHBHEUZTAYNPN-GFCCVEGCSA-N 1 0 280.334 2.423 10 0 CEAERO CC(C)[NH2+]CCCC(=O)Nc1cnn(C(C)C)c1 ZINC000061683550 519720534 /nfs/dbraw/zinc/72/05/34/519720534.db2.gz IFLZCGHJLXNRGJ-UHFFFAOYSA-N 1 0 252.362 2.181 10 0 CEAERO CC(C)[NH2+]C[C@@H](C)CN1CCO[C@H]2CCCC[C@@H]21 ZINC000052573068 519722869 /nfs/dbraw/zinc/72/28/69/519722869.db2.gz RWCGUXJXQMGRTB-ILXRZTDVSA-N 1 0 254.418 2.264 10 0 CEAERO CC(C)[NH2+]C[C@@H]1CCCN(CC(=O)OC(C)(C)C)C1 ZINC000063138882 519723475 /nfs/dbraw/zinc/72/34/75/519723475.db2.gz UNODYYLXGLYXDW-ZDUSSCGKSA-N 1 0 270.417 2.038 10 0 CEAERO CC(C)C[NH+]1CCN([C@@H](C)[C@@H](O)c2ccccc2)CC1 ZINC000055080957 519727551 /nfs/dbraw/zinc/72/75/51/519727551.db2.gz VYWHXTWFDFCBNB-DOTOQJQBSA-N 1 0 276.424 2.382 10 0 CEAERO CC(C)C[NH+]1CCN(c2cc(N)cc(F)c2)CC1 ZINC000055085633 519728344 /nfs/dbraw/zinc/72/83/44/519728344.db2.gz NZBZNHUDYVKSCW-UHFFFAOYSA-N 1 0 251.349 2.186 10 0 CEAERO CC(C)C[NH+]1CCN(c2ccc(C(N)=S)cc2F)CC1 ZINC000055080677 519728364 /nfs/dbraw/zinc/72/83/64/519728364.db2.gz NVWTWOOEHQATTI-UHFFFAOYSA-N 1 0 295.427 2.238 10 0 CEAERO CC(C)[NH2+]Cc1nnnn1CCc1ccc(Cl)cc1 ZINC000054747677 519729490 /nfs/dbraw/zinc/72/94/90/519729490.db2.gz JRCXFQABKJYIHH-UHFFFAOYSA-N 1 0 279.775 2.067 10 0 CEAERO CC(C)[NH2+]Cc1nnnn1-c1cccc2ccccc21 ZINC000054744655 519729718 /nfs/dbraw/zinc/72/97/18/519729718.db2.gz XARXWYQWBZTYQL-UHFFFAOYSA-N 1 0 267.336 2.314 10 0 CEAERO CC(C)N[C@@](C)(C[C@@H](C)[N@H+](C)[C@@H](C)C(C)(C)C)C(N)=O ZINC000068630438 519736596 /nfs/dbraw/zinc/73/65/96/519736596.db2.gz VJKURLVBASLFST-WWGRRREGSA-N 1 0 285.476 2.373 10 0 CEAERO CC(C)N[C@@](C)(C[C@@H](C)[NH+]1CCC(C)(C)CC1)C(N)=O ZINC000068643309 519736648 /nfs/dbraw/zinc/73/66/48/519736648.db2.gz BUERWKKNFCEHML-CJNGLKHVSA-N 1 0 283.460 2.129 10 0 CEAERO CC(C)[NH2+][C@](C)(CCCN(C)c1cccc(F)c1)C(N)=O ZINC000050008172 519739126 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2.419 10 0 CEAERO CC[NH2+]C[C@@H]1CC[C@@H](CN2CCc3ccccc32)O1 ZINC000052420352 519954019 /nfs/dbraw/zinc/95/40/19/519954019.db2.gz CEVIFLJBTAGVIE-GJZGRUSLSA-N 1 0 260.381 2.206 10 0 CEAERO CC(C)n1cc(N)cc1C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000049500482 519961887 /nfs/dbraw/zinc/96/18/87/519961887.db2.gz JPHHNJPQHJAGDY-CYBMUJFWSA-N 1 0 292.427 2.255 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N1CCSc2ccccc21 ZINC000061267458 519962258 /nfs/dbraw/zinc/96/22/58/519962258.db2.gz DJSFMMFIBNHTRC-NSHDSACASA-N 1 0 264.394 2.371 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccc(Br)cn1 ZINC000061228723 519966278 /nfs/dbraw/zinc/96/62/78/519966278.db2.gz SUGLOLQHAQNYHJ-QMMMGPOBSA-N 1 0 286.173 2.028 10 0 CEAERO CCC[NH2+]Cc1nnc(-c2cccc3c2OCCO3)o1 ZINC000050615842 519967598 /nfs/dbraw/zinc/96/75/98/519967598.db2.gz FTBHGFRISQNVCV-UHFFFAOYSA-N 1 0 275.308 2.007 10 0 CEAERO CC[NH2+]C[C@H](Cc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000052950531 519972978 /nfs/dbraw/zinc/97/29/78/519972978.db2.gz WLVRLPLMQQDXKX-HOTGVXAUSA-N 1 0 295.448 2.198 10 0 CEAERO CC[NH2+]C[C@H](OCCCOC)c1cccc(OC)c1 ZINC000050486668 519974683 /nfs/dbraw/zinc/97/46/83/519974683.db2.gz YZTONGDCMPMUTE-HNNXBMFYSA-N 1 0 267.369 2.399 10 0 CEAERO CC[NH2+]C[C@H]1CC[C@@H](CN(CC(F)(F)F)C2CC2)O1 ZINC000052503618 519978052 /nfs/dbraw/zinc/97/80/52/519978052.db2.gz OBJKZCMLXHNRDA-NEPJUHHUSA-N 1 0 280.334 2.170 10 0 CEAERO CC[NH2+]C[C@H]1CC[C@@H](Cn2cnc3ccccc32)O1 ZINC000052576432 519980240 /nfs/dbraw/zinc/98/02/40/519980240.db2.gz TWPHUACGOCSSHF-OLZOCXBDSA-N 1 0 259.353 2.193 10 0 CEAERO CC[NH2+]C[C@H]1CC[C@@H](COc2c(OC)cccc2OC)O1 ZINC000052650223 519980305 /nfs/dbraw/zinc/98/03/05/519980305.db2.gz BMUXGOXQHQGNKW-OLZOCXBDSA-N 1 0 295.379 2.240 10 0 CEAERO CCC[NH2+][C@@H](C)CCc1ccc(OC[C@H](O)COC)cc1 ZINC000069053560 519986339 /nfs/dbraw/zinc/98/63/39/519986339.db2.gz GDUPTVRUTLHEGP-GOEBONIOSA-N 1 0 295.423 2.393 10 0 CEAERO CC[NH2+]Cc1cc(CN2CCO[C@@H]3CCC[C@@H]32)oc1C ZINC000052540184 519989196 /nfs/dbraw/zinc/98/91/96/519989196.db2.gz HHYIAMGDMIMAAE-JKSUJKDBSA-N 1 0 278.396 2.451 10 0 CEAERO CC[NH2+]Cc1cc(Cn2ccc(C(F)(F)F)n2)on1 ZINC000052592512 519993638 /nfs/dbraw/zinc/99/36/38/519993638.db2.gz KANMFZOJPWIHDW-UHFFFAOYSA-N 1 0 274.246 2.048 10 0 CEAERO CCC[NH2+][C@@H](CCSc1ccc(F)cc1F)C(N)=O ZINC000062597006 520007449 /nfs/dbraw/zinc/00/74/49/520007449.db2.gz VDNWKHJMOJGERG-NSHDSACASA-N 1 0 288.363 2.301 10 0 CEAERO CC[NH2+]Cc1ccccc1CN1CCO[C@@H](CC)C1 ZINC000052477395 520009059 /nfs/dbraw/zinc/00/90/59/520009059.db2.gz BEBODMVKHIYNCF-INIZCTEOSA-N 1 0 262.397 2.407 10 0 CEAERO CCC[NH2+][C@@H](CS(C)(=O)=O)c1ccc(C)cc1C ZINC000054930570 520011722 /nfs/dbraw/zinc/01/17/22/520011722.db2.gz NLVCUGWFIRXDPQ-AWEZNQCLSA-N 1 0 269.410 2.389 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccc(C)c(C)c1)CS(C)(=O)=O ZINC000052789257 520012954 /nfs/dbraw/zinc/01/29/54/520012954.db2.gz ADMZAJAMADCFKB-HNNXBMFYSA-N 1 0 283.437 2.259 10 0 CEAERO CCC[NH2+][C@@H](c1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1CCCCO1 ZINC000050962518 520017340 /nfs/dbraw/zinc/01/73/40/520017340.db2.gz KLYOKCTVFKKQSU-GJZGRUSLSA-N 1 0 289.379 2.466 10 0 CEAERO CCC[NH2+][C@@H](c1cccnc1N)c1ncccc1C ZINC000070320934 520017373 /nfs/dbraw/zinc/01/73/73/520017373.db2.gz WCJCJOAJKSYGHC-AWEZNQCLSA-N 1 0 256.353 2.456 10 0 CEAERO CC[NH2+]Cc1cnc(N2C[C@@H](C)OC[C@H]2CC)s1 ZINC000054908771 520018342 /nfs/dbraw/zinc/01/83/42/520018342.db2.gz OCFJWISHHRJBCW-GHMZBOCLSA-N 1 0 269.414 2.256 10 0 CEAERO CC[NH2+]Cc1nc(CN2CCO[C@H]3CCCC[C@@H]32)cs1 ZINC000052573000 520021513 /nfs/dbraw/zinc/02/15/13/520021513.db2.gz WUJGQASJEWKVLY-KBPBESRZSA-N 1 0 295.452 2.396 10 0 CEAERO CC[NH2+]Cc1nccn1Cc1cnn(-c2ccccc2)c1 ZINC000051004979 520022530 /nfs/dbraw/zinc/02/25/30/520022530.db2.gz CQXMVTSAUOSWCT-UHFFFAOYSA-N 1 0 281.363 2.227 10 0 CEAERO CC[NH2+]Cc1oc(CN2CCO[C@@H]3CCC[C@@H]32)cc1C ZINC000052540410 520027431 /nfs/dbraw/zinc/02/74/31/520027431.db2.gz NYTGAWJXQZUALD-LSDHHAIUSA-N 1 0 278.396 2.451 10 0 CEAERO CCC[NH2+][C@@H]1CCc2c1cccc2O[C@H](CC)C(N)=O ZINC000062799946 520027549 /nfs/dbraw/zinc/02/75/49/520027549.db2.gz QCRRMMXQXZWTQI-ZIAGYGMSSA-N 1 0 276.380 2.316 10 0 CEAERO CCC[NH2+][C@@](C)(C[C@H](C)n1nc(C)c(CC)c1C)C(N)=O ZINC000068649215 520047468 /nfs/dbraw/zinc/04/74/68/520047468.db2.gz XVFMZXOUHIDZSX-ZBEGNZNMSA-N 1 0 294.443 2.257 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N(CC)Cc1cccs1 ZINC000061272008 520060185 /nfs/dbraw/zinc/06/01/85/520060185.db2.gz LZJBUGRTBMRMJK-NSHDSACASA-N 1 0 254.399 2.485 10 0 CEAERO CCCN[C@@](C[N@H+](CCC)CC1CC1)(C(=O)OC)C1CC1 ZINC000069131894 520053054 /nfs/dbraw/zinc/05/30/54/520053054.db2.gz AXSZUJRTGZTLSP-QGZVFWFLSA-N 1 0 296.455 2.430 10 0 CEAERO CCN(C(=O)[C@]1(C)CC[NH2+]C1)c1cccc(F)c1 ZINC000062902668 520056667 /nfs/dbraw/zinc/05/66/67/520056667.db2.gz BFGTXUXITYFDAI-CQSZACIVSA-N 1 0 250.317 2.178 10 0 CEAERO CCC[NH2+][C@H](C)c1ccc(S(=O)(=O)N[C@@H]2C[C@@H]2C)cc1 ZINC000052295376 520065993 /nfs/dbraw/zinc/06/59/93/520065993.db2.gz YYMRFPDGNMSQPX-YWPYICTPSA-N 1 0 296.436 2.434 10 0 CEAERO CCCN[C@H](CC[N@H+](C)C1CCCC1)C(=O)OCC ZINC000062446270 520069154 /nfs/dbraw/zinc/06/91/54/520069154.db2.gz OGRVVMVLVIHECK-CQSZACIVSA-N 1 0 270.417 2.182 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1ccccc1-n1cccn1 ZINC000061270728 520071226 /nfs/dbraw/zinc/07/12/26/520071226.db2.gz HKHKESRCAFNBMU-LBPRGKRZSA-N 1 0 272.352 2.199 10 0 CEAERO CC[NH2+][C@@H](C)CCc1ccc(O[C@@H](CC)C(N)=O)cc1 ZINC000061675848 520072232 /nfs/dbraw/zinc/07/22/32/520072232.db2.gz ALZUXWCDAJSHJZ-WFASDCNBSA-N 1 0 278.396 2.260 10 0 CEAERO CC[NH2+][C@@H](C)c1cc(C)ccc1OC[C@H](O)COCC ZINC000069275536 520073902 /nfs/dbraw/zinc/07/39/02/520073902.db2.gz VEAOPWIECVBFSK-UONOGXRCSA-N 1 0 281.396 2.442 10 0 CEAERO CC[NH2+][C@@H](C)c1cc(F)ccc1Sc1n[nH]c(=O)n1C ZINC000061592937 520073936 /nfs/dbraw/zinc/07/39/36/520073936.db2.gz AQUJBPDOQBQTBK-QMMMGPOBSA-N 1 0 296.371 2.069 10 0 CEAERO CCCN[C@H](CC[N@H+](CCC)C(C)C)C(=O)OCC ZINC000062446642 520074736 /nfs/dbraw/zinc/07/47/36/520074736.db2.gz DOMUFOURMASROQ-CQSZACIVSA-N 1 0 272.433 2.428 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(F)cc1OCC(=O)N(C)CC ZINC000062747054 520075256 /nfs/dbraw/zinc/07/52/56/520075256.db2.gz YMRQOLKULBJUEU-NSHDSACASA-N 1 0 282.359 2.353 10 0 CEAERO CCC[NH2+][C@H](CCSc1cc(F)ccc1F)C(N)=O ZINC000062600622 520079143 /nfs/dbraw/zinc/07/91/43/520079143.db2.gz XEEAPCIJXMTMDE-LLVKDONJSA-N 1 0 288.363 2.301 10 0 CEAERO CCC[NH2+][C@H]1CCN(Cc2cnc(C)cn2)[C@H](C)C1 ZINC000061321522 520093722 /nfs/dbraw/zinc/09/37/22/520093722.db2.gz RZFSEUBIYDKFNX-KGLIPLIRSA-N 1 0 262.401 2.138 10 0 CEAERO CCC[NH2+][C@H]1CCc2c1cccc2OC[C@H]1CNC(=O)O1 ZINC000062799895 520098408 /nfs/dbraw/zinc/09/84/08/520098408.db2.gz UVAYHJWBMVHSCW-RISCZKNCSA-N 1 0 290.363 2.161 10 0 CEAERO CCC[NH2+][C@H]1COc2cc(O[C@@H](C)C(=O)OCC)ccc21 ZINC000062805034 520098660 /nfs/dbraw/zinc/09/86/60/520098660.db2.gz QAOMEGRHACXXFD-FZMZJTMJSA-N 1 0 293.363 2.450 10 0 CEAERO CC[NH2+][C@@H](Cc1ncc[nH]1)c1ccc(OC)c(F)c1 ZINC000061668927 520107059 /nfs/dbraw/zinc/10/70/59/520107059.db2.gz LARIUSXGIFQIBG-LBPRGKRZSA-N 1 0 263.316 2.451 10 0 CEAERO CC[NH2+][C@@H](Cn1ccc(=O)cc1)c1ccc(OC)cc1 ZINC000061627835 520107193 /nfs/dbraw/zinc/10/71/93/520107193.db2.gz VBQHXMFHORUHFU-INIZCTEOSA-N 1 0 272.348 2.208 10 0 CEAERO CC[NH2+][C@@H](Cc1nc(C)cs1)c1nccn1C ZINC000069473809 520107445 /nfs/dbraw/zinc/10/74/45/520107445.db2.gz NFXSETMGCFZBOY-JTQLQIEISA-N 1 0 250.371 2.078 10 0 CEAERO CC[NH2+][C@@H](Cn1cc(C(F)(F)F)ccc1=O)C1CC1 ZINC000069079313 520108295 /nfs/dbraw/zinc/10/82/95/520108295.db2.gz OHVQSZCAPIHJST-NSHDSACASA-N 1 0 274.286 2.255 10 0 CEAERO CC[NH2+][C@@H](c1ccc(F)c(F)c1)[C@@H]1COCCO1 ZINC000055300098 520110076 /nfs/dbraw/zinc/11/00/76/520110076.db2.gz WTDYIUDWFNZSPK-STQMWFEESA-N 1 0 257.280 2.031 10 0 CEAERO CCCN[C@](C[N@H+](C)CC1CCC1)(C(=O)OCC)C1CC1 ZINC000069231914 520117711 /nfs/dbraw/zinc/11/77/11/520117711.db2.gz LKZUSFHRLODBFF-KRWDZBQOSA-N 1 0 296.455 2.430 10 0 CEAERO CC[NH2+][C@@H]1CCOC[C@H]1n1cc(-c2ccccc2)cn1 ZINC000054961115 520120456 /nfs/dbraw/zinc/12/04/56/520120456.db2.gz FWPYSMSMZODMPB-HZPDHXFCSA-N 1 0 271.364 2.490 10 0 CEAERO CCC[NH2+][C@](COc1ccc(C)cc1C)(C(N)=O)C1CC1 ZINC000069196982 520123799 /nfs/dbraw/zinc/12/37/99/520123799.db2.gz FVWWVUSZARVIIT-KRWDZBQOSA-N 1 0 290.407 2.316 10 0 CEAERO CCC[NH2+][C@](COc1cc(C)ccc1C)(C(N)=O)C1CC1 ZINC000069197286 520124074 /nfs/dbraw/zinc/12/40/74/520124074.db2.gz RVVQORNJXCCLHB-KRWDZBQOSA-N 1 0 290.407 2.316 10 0 CEAERO CC[NH2+][C@@](C)(CCCOc1ccc(CC)cc1)C(N)=O ZINC000045513533 520132810 /nfs/dbraw/zinc/13/28/10/520132810.db2.gz NXRHEHLMLQHJLR-INIZCTEOSA-N 1 0 278.396 2.262 10 0 CEAERO CC[NH2+][C@@](C)(C[C@H](C)Sc1ccc(OC)cc1)C(N)=O ZINC000068635824 520146604 /nfs/dbraw/zinc/14/66/04/520146604.db2.gz QGSHQZPNZRQSSD-NHYWBVRUSA-N 1 0 296.436 2.419 10 0 CEAERO CCN[C@@](C[N@@H+]1CCCC(C)(C)C1)(C(=O)OCC)C1CC1 ZINC000069516682 520153656 /nfs/dbraw/zinc/15/36/56/520153656.db2.gz RZSYXFZNDBKHAH-QGZVFWFLSA-N 1 0 296.455 2.430 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)NCCCOCc1ccccc1 ZINC000061273801 520166205 /nfs/dbraw/zinc/16/62/05/520166205.db2.gz RNBASWCXOZEOHN-CQSZACIVSA-N 1 0 278.396 2.098 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1cc(OC)c(OC)cc1C ZINC000061270826 520168221 /nfs/dbraw/zinc/16/82/21/520168221.db2.gz PDINPDQMVSXFTF-LLVKDONJSA-N 1 0 280.368 2.339 10 0 CEAERO CC[NH2+][C@H](C)Cc1nc(Cc2ccc(F)cc2)no1 ZINC000061212969 520174730 /nfs/dbraw/zinc/17/47/30/520174730.db2.gz DSLOWOSQZFZZBC-SNVBAGLBSA-N 1 0 263.316 2.340 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(F)cc1OCC(=O)OCC ZINC000062746987 520178020 /nfs/dbraw/zinc/17/80/20/520178020.db2.gz JJGSJYIAUVDUCW-SNVBAGLBSA-N 1 0 269.316 2.438 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(F)cc1O[C@H]1CCOC1=O ZINC000062746959 520178484 /nfs/dbraw/zinc/17/84/84/520178484.db2.gz DWWJODCXDSYCNB-SKDRFNHKSA-N 1 0 267.300 2.191 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(OCCCC(=O)NC)cc1 ZINC000068816280 520179593 /nfs/dbraw/zinc/17/95/93/520179593.db2.gz YJMVVJMCMJWHDA-GFCCVEGCSA-N 1 0 264.369 2.262 10 0 CEAERO CC[NH2+][C@H](CN1CCCOCC1)c1ccc(OC)cc1 ZINC000061917812 520196696 /nfs/dbraw/zinc/19/66/96/520196696.db2.gz DENQCLGZSSWBJF-MRXNPFEDSA-N 1 0 278.396 2.068 10 0 CEAERO CC[NH2+][C@H](c1ccc(F)c(F)c1)[C@H]1COCCO1 ZINC000055300104 520208610 /nfs/dbraw/zinc/20/86/10/520208610.db2.gz WTDYIUDWFNZSPK-CHWSQXEVSA-N 1 0 257.280 2.031 10 0 CEAERO CC[NH2+][C@H]1CCN([C@@H](C)c2ccc(C)s2)C1=O ZINC000049649179 520215914 /nfs/dbraw/zinc/21/59/14/520215914.db2.gz QZVJDIUYCOYKRC-QWRGUYRKSA-N 1 0 252.383 2.328 10 0 CEAERO CC[NH2+][C@H]1CCCc2nc(N3CCN(CC)CC3)sc21 ZINC000054899371 520216344 /nfs/dbraw/zinc/21/63/44/520216344.db2.gz CWGLYYLBLNVCLK-LBPRGKRZSA-N 1 0 294.468 2.272 10 0 CEAERO CC[NH2+][C@H]1CCN([C@H]2CCCc3sccc32)C1=O ZINC000061363720 520218648 /nfs/dbraw/zinc/21/86/48/520218648.db2.gz JZVZKPSCCLMESQ-RYUDHWBXSA-N 1 0 264.394 2.336 10 0 CEAERO CC[NH2+][C@H]1COc2cc(OCC(=O)NC(C)(C)C)ccc21 ZINC000062804896 520222207 /nfs/dbraw/zinc/22/22/07/520222207.db2.gz QHPVMDBTYXBGCR-ZDUSSCGKSA-N 1 0 292.379 2.023 10 0 CEAERO CC[NH2+][C@](C)(C[C@@H](C)N(CC)c1ccccc1C)C(N)=O ZINC000068616687 520236722 /nfs/dbraw/zinc/23/67/22/520236722.db2.gz IFGXDXJXMOEPRC-RHSMWYFYSA-N 1 0 291.439 2.453 10 0 CEAERO CC[NH2+][C@](C)(C[C@H](C)OCCCc1ccccc1)C(N)=O ZINC000068658033 520239584 /nfs/dbraw/zinc/23/95/84/520239584.db2.gz RSSBUZLXSNVKGN-WMLDXEAASA-N 1 0 292.423 2.268 10 0 CEAERO CC[NH2+][C@](C)(C[C@H](C)Oc1cccc(C)c1C)C(N)=O ZINC000068655481 520239962 /nfs/dbraw/zinc/23/99/62/520239962.db2.gz NGZZNLWNRSWKET-BLLLJJGKSA-N 1 0 278.396 2.314 10 0 CEAERO CCN[C@](C[N@H+](C)CC1CCCCC1)(C(=O)OC)C1CC1 ZINC000069183917 520244979 /nfs/dbraw/zinc/24/49/79/520244979.db2.gz QBJWMOYLSMKJTO-KRWDZBQOSA-N 1 0 296.455 2.430 10 0 CEAERO CCCO[C@@H]1CCCN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000055136849 520263704 /nfs/dbraw/zinc/26/37/04/520263704.db2.gz PPBZJPIHRNVYMU-ZNMIVQPWSA-N 1 0 282.428 2.312 10 0 CEAERO CCNc1cc(C(=O)N[C@H](C)CC[NH+](C)C)cc(Cl)n1 ZINC000050788282 520264432 /nfs/dbraw/zinc/26/44/32/520264432.db2.gz LIQJYTPDZMFFTM-SNVBAGLBSA-N 1 0 298.818 2.237 10 0 CEAERO CCNc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000050743462 520287695 /nfs/dbraw/zinc/28/76/95/520287695.db2.gz IFZXZWQWDQHRRK-HNNXBMFYSA-N 1 0 275.396 2.333 10 0 CEAERO CCO[C@@H](C[NH3+])CN1CCc2sccc2[C@@H]1C ZINC000062739834 520311658 /nfs/dbraw/zinc/31/16/58/520311658.db2.gz UUTLGVPTPZQLLV-QWRGUYRKSA-N 1 0 254.399 2.031 10 0 CEAERO CCNc1cccc(C(=O)N2CC[NH+](C(C)(C)C)CC2)n1 ZINC000051072191 520334399 /nfs/dbraw/zinc/33/43/99/520334399.db2.gz XJRFUNOXVMOJIV-UHFFFAOYSA-N 1 0 290.411 2.070 10 0 CEAERO CCNc1ccccc1C(=O)NCC(C)(C)C[NH+](C)C ZINC000050720036 520337627 /nfs/dbraw/zinc/33/76/27/520337627.db2.gz BMULIEKIFLEMJA-UHFFFAOYSA-N 1 0 277.412 2.436 10 0 CEAERO CCNc1ccccc1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062984940 520338327 /nfs/dbraw/zinc/33/83/27/520338327.db2.gz VQBARGLARFZEJD-AWEZNQCLSA-N 1 0 287.407 2.429 10 0 CEAERO CCCOc1ccc(C[NH2+]CCN(C)CCOC)cc1 ZINC000061376050 520366270 /nfs/dbraw/zinc/36/62/70/520366270.db2.gz LHSNZGPOIYVGRC-UHFFFAOYSA-N 1 0 280.412 2.143 10 0 CEAERO CCCOc1ccc(C[NH2+]CCOC)c(OC)c1 ZINC000062727419 520367007 /nfs/dbraw/zinc/36/70/07/520367007.db2.gz GOBFJZIWPXYCJU-UHFFFAOYSA-N 1 0 253.342 2.220 10 0 CEAERO CCCCN(CC(F)(F)F)C(=O)[C@H](C)C[NH2+]CC ZINC000061236564 520445117 /nfs/dbraw/zinc/44/51/17/520445117.db2.gz KBSNFBNYEGXHBE-SNVBAGLBSA-N 1 0 268.323 2.423 10 0 CEAERO CCCOc1cccc(C[C@H](C[NH3+])C(=O)N2CCCC2)c1 ZINC000052920869 520456397 /nfs/dbraw/zinc/45/63/97/520456397.db2.gz LZBKDLOULAHVFS-OAHLLOKOSA-N 1 0 290.407 2.215 10 0 CEAERO CCCOc1cccc([C@H](C[NH3+])N(C)[C@@H](C)COC)c1 ZINC000052921150 520468231 /nfs/dbraw/zinc/46/82/31/520468231.db2.gz OBTVMTDHHSYBFQ-BBRMVZONSA-N 1 0 280.412 2.442 10 0 CEAERO CCCC[N@H+](CC)CC[C@H](NC(C)C)C(=O)OC ZINC000062438355 520475432 /nfs/dbraw/zinc/47/54/32/520475432.db2.gz RXEMWKZAUVXKPG-ZDUSSCGKSA-N 1 0 258.406 2.038 10 0 CEAERO CCCC[N@H+](CC)CC[C@@H](NC(C)C)C(=O)OCC ZINC000062438237 520477000 /nfs/dbraw/zinc/47/70/00/520477000.db2.gz YAEPSRXZMCGWEC-CQSZACIVSA-N 1 0 272.433 2.428 10 0 CEAERO CCCC[NH+](CCCC)CC[C@H](NC)C(=O)OCC ZINC000062444354 520493877 /nfs/dbraw/zinc/49/38/77/520493877.db2.gz FDZKGXHLYUFTHH-AWEZNQCLSA-N 1 0 272.433 2.430 10 0 CEAERO CCCC[NH+](CCCC)C[C@@](NC1CC1)(C(N)=O)C1CC1 ZINC000069096552 520497131 /nfs/dbraw/zinc/49/71/31/520497131.db2.gz WVKKXIAYSVAJOT-KRWDZBQOSA-N 1 0 295.471 2.275 10 0 CEAERO CCO[C@H](C[NH3+])CCSc1ncnc2ccccc21 ZINC000062741971 520517802 /nfs/dbraw/zinc/51/78/02/520517802.db2.gz LXYZCFWBGZMIRT-NSHDSACASA-N 1 0 277.393 2.476 10 0 CEAERO CCN(CC)C(=O)[C@@H](C)Oc1cccc2c1CC[C@@H]2[NH3+] ZINC000062798746 520522964 /nfs/dbraw/zinc/52/29/64/520522964.db2.gz AEZNUMZNTFBSCO-RISCZKNCSA-N 1 0 276.380 2.268 10 0 CEAERO CCN(CC)C(=O)[C@@H](C[NH3+])Cc1ccc(F)c(C)c1 ZINC000050544422 520523059 /nfs/dbraw/zinc/52/30/59/520523059.db2.gz JDWXPJPJGXLHNY-CYBMUJFWSA-N 1 0 266.360 2.120 10 0 CEAERO CCCC[N@H+](C[C@](NC)(C(=O)OC)C1CC1)[C@@H](C)CC ZINC000069191575 520542342 /nfs/dbraw/zinc/54/23/42/520542342.db2.gz RGSMNFVKADIQES-XJKSGUPXSA-N 1 0 284.444 2.428 10 0 CEAERO CCCS(=O)(=O)c1ccccc1OCC1CC[NH2+]CC1 ZINC000051869806 520545231 /nfs/dbraw/zinc/54/52/31/520545231.db2.gz IABUJJZISPTCJV-UHFFFAOYSA-N 1 0 297.420 2.249 10 0 CEAERO CCCS(=O)(=O)c1ccccc1NCC[NH2+]C(C)C ZINC000054267684 520545723 /nfs/dbraw/zinc/54/57/23/520545723.db2.gz CTROFAFLLIUVRJ-UHFFFAOYSA-N 1 0 284.425 2.280 10 0 CEAERO CCC[C@@H](C(=O)N(C)C[C@H](C)c1nccs1)[NH+](C)C ZINC000183329555 520575413 /nfs/dbraw/zinc/57/54/13/520575413.db2.gz LOMJMCNTIKUPGZ-RYUDHWBXSA-N 1 0 283.441 2.435 10 0 CEAERO CCC[C@@H](C(=O)NCCCNc1cccc(F)c1)[NH+](C)C ZINC000182061638 520587551 /nfs/dbraw/zinc/58/75/51/520587551.db2.gz SJOJUEJVYKRYSJ-HNNXBMFYSA-N 1 0 295.402 2.474 10 0 CEAERO CCC[C@@H](C)C[C@@H](C[NH2+]C)[C@@H]1CCS(=O)(=O)C1 ZINC000052949991 520636234 /nfs/dbraw/zinc/63/62/34/520636234.db2.gz HMFMBXJATULHSV-UPJWGTAASA-N 1 0 261.431 2.083 10 0 CEAERO CCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCOc2ccccc21 ZINC000052928784 520651880 /nfs/dbraw/zinc/65/18/80/520651880.db2.gz APDQALPVLXWGDI-TZMCWYRMSA-N 1 0 276.380 2.405 10 0 CEAERO CCOc1cc(C[NH3+])ccc1OC1CCOCC1 ZINC000069288360 520695816 /nfs/dbraw/zinc/69/58/16/520695816.db2.gz JOASQWUOXWKUCH-UHFFFAOYSA-N 1 0 251.326 2.102 10 0 CEAERO CC[NH+](CC)CCc1nc2c(c(NC)n1)CCCC2 ZINC000050852076 520711446 /nfs/dbraw/zinc/71/14/46/520711446.db2.gz QZDCRWGWLAJBFT-UHFFFAOYSA-N 1 0 262.401 2.281 10 0 CEAERO CC[NH+](CC)C[C@H](C)Nc1cc(N)ccc1C(=O)N(C)C ZINC000070239936 520735140 /nfs/dbraw/zinc/73/51/40/520735140.db2.gz ZSXPZOTVJJIGJA-LBPRGKRZSA-N 1 0 292.427 2.113 10 0 CEAERO CC[NH+](CC)Cc1ccc(CNS(=O)(=O)C(C)C)cc1 ZINC000070286487 520750966 /nfs/dbraw/zinc/75/09/66/520750966.db2.gz ASLHFLDBRCYPSC-UHFFFAOYSA-N 1 0 298.452 2.356 10 0 CEAERO CCOc1cc([C@@H](O)[C@@H]([NH3+])Cc2ccccc2)ccc1O ZINC000054686006 520772610 /nfs/dbraw/zinc/77/26/10/520772610.db2.gz IIUZGEPRWSFGQN-WMLDXEAASA-N 1 0 287.359 2.394 10 0 CEAERO CCOc1cc([C@H](O)[C@@H]([NH3+])Cc2ccccc2)ccc1O ZINC000054686003 520780625 /nfs/dbraw/zinc/78/06/25/520780625.db2.gz IIUZGEPRWSFGQN-YOEHRIQHSA-N 1 0 287.359 2.394 10 0 CEAERO CCCCOCC[NH2+]CCn1nc(C)c(CC)c1C ZINC000053540943 520783504 /nfs/dbraw/zinc/78/35/04/520783504.db2.gz MCBSBVXGKWDJIJ-UHFFFAOYSA-N 1 0 267.417 2.469 10 0 CEAERO CCCCOCCOc1ccc2c(c1)OC[C@@H]2[NH3+] ZINC000062803527 520794551 /nfs/dbraw/zinc/79/45/51/520794551.db2.gz LRIBDBCIBMVGSM-ZDUSSCGKSA-N 1 0 251.326 2.274 10 0 CEAERO CCC[C@@H]1CN(Cc2cnn(CC)c2)[C@H](C2CC2)C[NH2+]1 ZINC000068701096 520842184 /nfs/dbraw/zinc/84/21/84/520842184.db2.gz IQVVYFXWUDMONS-CVEARBPZSA-N 1 0 276.428 2.256 10 0 CEAERO CCC[C@@](C)(CCS(C)(=O)=O)C[NH2+]CC(C)C ZINC000054657339 520908404 /nfs/dbraw/zinc/90/84/04/520908404.db2.gz RYWVCNFPYHQLRZ-ZDUSSCGKSA-N 1 0 263.447 2.473 10 0 CEAERO CCOc1ccc(C(C)=O)cc1CN1[C@H](C)C[NH2+]C[C@H]1C ZINC000069134492 520925065 /nfs/dbraw/zinc/92/50/65/520925065.db2.gz YPKXSKKPVJITIW-CHWSQXEVSA-N 1 0 290.407 2.470 10 0 CEAERO CC1CCC(CO)([NH2+]C[C@H](O)c2cccs2)CC1 ZINC000053118386 520926527 /nfs/dbraw/zinc/92/65/27/520926527.db2.gz TYWZAXAANLURFL-LXVYMNJGSA-N 1 0 269.410 2.312 10 0 CEAERO CCN(CC1(C[NH3+])CCOCC1)c1ccccc1F ZINC000052182962 520937745 /nfs/dbraw/zinc/93/77/45/520937745.db2.gz OQGMCEGNTCGFOM-UHFFFAOYSA-N 1 0 266.360 2.408 10 0 CEAERO CCC[C@@]1(c2nncn2-c2ccccc2)CC[NH2+]C1 ZINC000062921824 520967158 /nfs/dbraw/zinc/96/71/58/520967158.db2.gz LOWQLNAQAKGSKR-OAHLLOKOSA-N 1 0 256.353 2.299 10 0 CEAERO CCC[C@H](C(=O)NC[C@@H](C)c1nccs1)[NH+](C)C ZINC000183508261 520980733 /nfs/dbraw/zinc/98/07/33/520980733.db2.gz RCZRMVIQPFBWDJ-GHMZBOCLSA-N 1 0 269.414 2.093 10 0 CEAERO CC1CCN(c2ccc(NC(=O)[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000062116096 521044161 /nfs/dbraw/zinc/04/41/61/521044161.db2.gz CLVGEWGDEOUBNG-CQSZACIVSA-N 1 0 287.407 2.471 10 0 CEAERO CCN(CCN1CCC[NH2+]CC1)c1ccc(C)cc1 ZINC000061275767 521045745 /nfs/dbraw/zinc/04/57/45/521045745.db2.gz OMYOXJZRQUZZPT-UHFFFAOYSA-N 1 0 261.413 2.117 10 0 CEAERO CC1CCN(c2nc(C(C)(C)C)cc(NN)[nH+]2)CC1 ZINC000057331592 521046602 /nfs/dbraw/zinc/04/66/02/521046602.db2.gz VOHBIDLRFMZRGK-UHFFFAOYSA-N 1 0 263.389 2.296 10 0 CEAERO CCOc1ccc(NC(=O)C(C)(C)[NH2+]C)cc1OCC ZINC000061300130 521051131 /nfs/dbraw/zinc/05/11/31/521051131.db2.gz NBCLTUGPLQBWNW-UHFFFAOYSA-N 1 0 280.368 2.421 10 0 CEAERO CCOC(=O)[C@@H](CC[N@H+](C)[C@@H](C)C(C)C)NC(C)C ZINC000062449033 521055684 /nfs/dbraw/zinc/05/56/84/521055684.db2.gz URWZYBHNCPWTIV-UONOGXRCSA-N 1 0 272.433 2.283 10 0 CEAERO CC[N@H+](CCOC)Cc1cc2ccccc2nc1N ZINC000050816648 521135200 /nfs/dbraw/zinc/13/52/00/521135200.db2.gz RUTDBSKGIPIPNZ-UHFFFAOYSA-N 1 0 259.353 2.285 10 0 CEAERO CCOC(=O)[C@@](C)(C[C@H](C)[NH+]1CCC(C)(C)CC1)NC ZINC000068643337 521150882 /nfs/dbraw/zinc/15/08/82/521150882.db2.gz BZURYUASHXYHIF-XJKSGUPXSA-N 1 0 284.444 2.428 10 0 CEAERO CCOC(=O)[C@@](C)([NH3+])C[C@@H](C)n1ccc(C(F)(F)F)n1 ZINC000068649334 521157562 /nfs/dbraw/zinc/15/75/62/521157562.db2.gz MFXAZLIRZZPSJI-KCJUWKMLSA-N 1 0 293.289 2.134 10 0 CEAERO CCOC(=O)[C@H](C)NC(=O)Nc1ccc([C@H](C)[NH2+]C)cc1 ZINC000049495665 521202486 /nfs/dbraw/zinc/20/24/86/521202486.db2.gz TYYGPBNWPUIICS-QWRGUYRKSA-N 1 0 293.367 2.040 10 0 CEAERO CCOC(=O)[C@H](C)Oc1cc(F)ccc1[C@@H](C)[NH3+] ZINC000062745297 521216687 /nfs/dbraw/zinc/21/66/87/521216687.db2.gz LUUTVVPYSMZDHY-BDAKNGLRSA-N 1 0 255.289 2.176 10 0 CEAERO CCC[C@H]1CN(CCn2ccnc2C)[C@H](C(C)C)C[NH2+]1 ZINC000068700700 521221371 /nfs/dbraw/zinc/22/13/71/521221371.db2.gz VLNLJEFRFIANQM-HOTGVXAUSA-N 1 0 278.444 2.290 10 0 CEAERO CCOC(=O)[C@H](CC[N@H+](C)C1CCC(C)CC1)NC ZINC000062525011 521240399 /nfs/dbraw/zinc/24/03/99/521240399.db2.gz AEAOYQULWVBMGS-RUXDESIVSA-N 1 0 270.417 2.038 10 0 CEAERO CCOC(=O)[C@H](CC[N@@H+]1CCC[C@@H](CC)C1)NC1CC1 ZINC000062449679 521244866 /nfs/dbraw/zinc/24/48/66/521244866.db2.gz ISJASZKHROXDOD-HIFRSBDPSA-N 1 0 282.428 2.182 10 0 CEAERO CCOc1ccc([C@H](C)NC(=O)C(C)(C)[NH2+]C)cc1 ZINC000061316510 521251331 /nfs/dbraw/zinc/25/13/31/521251331.db2.gz UBEFSYFGBJQCIB-NSHDSACASA-N 1 0 264.369 2.261 10 0 CEAERO CCCC[C@](CC)(C(=O)OCC)N1CCC[NH2+]CC1 ZINC000069381854 521252699 /nfs/dbraw/zinc/25/26/99/521252699.db2.gz UZJLNHNAKWHTPL-OAHLLOKOSA-N 1 0 270.417 2.184 10 0 CEAERO CCC[C@](C)([NH3+])C(=O)Nc1ccccc1[C@@H](C)O ZINC000049547226 521277864 /nfs/dbraw/zinc/27/78/64/521277864.db2.gz APGVVSRJPMHABI-YGRLFVJLSA-N 1 0 250.342 2.196 10 0 CEAERO CCC[C@]1(C(=O)N(CC(C)C)C2CC2)CC[NH2+]C1 ZINC000062895087 521296847 /nfs/dbraw/zinc/29/68/47/521296847.db2.gz YNZLQMVUKFHMGY-HNNXBMFYSA-N 1 0 252.402 2.413 10 0 CEAERO CCC[C@]1(C(=O)NC[C@H](O)c2ccccc2)CCC[NH2+]C1 ZINC000062853636 521299130 /nfs/dbraw/zinc/29/91/30/521299130.db2.gz CQMVFMQFWDPILH-RDJZCZTQSA-N 1 0 290.407 2.006 10 0 CEAERO CCC[C@]1(C(=O)Nc2cccc3n[nH]cc32)CC[NH2+]C1 ZINC000062894325 521299895 /nfs/dbraw/zinc/29/98/95/521299895.db2.gz GTDMEOILPXKUOD-HNNXBMFYSA-N 1 0 272.352 2.281 10 0 CEAERO CCC[C@]1(C(=O)Nc2nc(C)cc(C)n2)CCC[NH2+]C1 ZINC000062852978 521300040 /nfs/dbraw/zinc/30/00/40/521300040.db2.gz NLNVFBOWQRQIRX-HNNXBMFYSA-N 1 0 276.384 2.202 10 0 CEAERO CCC(C)(C)[N@H+](C)CC(=O)Nc1ccccc1C[NH3+] ZINC000069429237 521301771 /nfs/dbraw/zinc/30/17/71/521301771.db2.gz PHDVEKVDIWLAJS-UHFFFAOYSA-N 1 0 263.385 2.204 10 0 CEAERO CCC(C)(C)[N@H+](C)C[C@@H](O)c1ccc(C(N)=S)cc1 ZINC000069433861 521304696 /nfs/dbraw/zinc/30/46/96/521304696.db2.gz YUQSKDXOHMULAL-CYBMUJFWSA-N 1 0 280.437 2.475 10 0 CEAERO CCOc1ccc2[nH]c(SC[C@@H](C[NH3+])OCC)nc2c1 ZINC000062740562 521308892 /nfs/dbraw/zinc/30/88/92/521308892.db2.gz BETQVQWSNPBFIG-LLVKDONJSA-N 1 0 295.408 2.418 10 0 CEAERO CCC(C)(C)NC(=O)COc1cccc([C@@H](C)[NH3+])c1 ZINC000049281474 521319762 /nfs/dbraw/zinc/31/97/62/521319762.db2.gz CPVGCAURYPQWGL-LLVKDONJSA-N 1 0 264.369 2.390 10 0 CEAERO CCOC(=O)[C@](C)(C[N@H+](CC)CC1CC1)NC(C)C ZINC000069239549 521320427 /nfs/dbraw/zinc/32/04/27/521320427.db2.gz UNIGSTYRTRWNHX-HNNXBMFYSA-N 1 0 270.417 2.038 10 0 CEAERO CCOC(=O)[C@](C)(C[C@@H](C)[N@H+](C)CC1CC1)NC1CC1 ZINC000068627737 521320988 /nfs/dbraw/zinc/32/09/88/521320988.db2.gz FPLBSEGBXLWLEN-WBMJQRKESA-N 1 0 282.428 2.181 10 0 CEAERO CCOC(=O)[C@](C)(C[C@@H](C)[N@H+](C)CC1CCCC1)NC ZINC000068647054 521322449 /nfs/dbraw/zinc/32/24/49/521322449.db2.gz XKIDXTMCHAEFPU-CJNGLKHVSA-N 1 0 284.444 2.428 10 0 CEAERO CCOC(=O)[C@](C)([NH3+])C[C@H](C)n1ncc2ccccc21 ZINC000068649719 521330351 /nfs/dbraw/zinc/33/03/51/521330351.db2.gz OWLGXVSWIZRDAP-XHDPSFHLSA-N 1 0 275.352 2.268 10 0 CEAERO CCOC(=O)[C@](C[N@H+](C)C[C@@H]1C[C@@H]1C)(NC1CC1)C1CC1 ZINC000069233520 521337257 /nfs/dbraw/zinc/33/72/57/521337257.db2.gz WVVNDHULHUMPBU-GDZNZVCISA-N 1 0 294.439 2.038 10 0 CEAERO CCOC(=O)[C@](C[NH+]1CCC(C)(C)CC1)(NC)C1CC1 ZINC000069232052 521339781 /nfs/dbraw/zinc/33/97/81/521339781.db2.gz JBJCWGMTEUVHFD-MRXNPFEDSA-N 1 0 282.428 2.040 10 0 CEAERO CCCc1cc(=O)[nH]c(SC2CCC([NH3+])CC2)n1 ZINC000055143730 521344498 /nfs/dbraw/zinc/34/44/98/521344498.db2.gz RKGDWYSAGGKGNQ-UHFFFAOYSA-N 1 0 267.398 2.084 10 0 CEAERO CCC(CC)(C[NH2+]C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000054658698 521440399 /nfs/dbraw/zinc/44/03/99/521440399.db2.gz MTXOLJBVRHPUPI-LBPRGKRZSA-N 1 0 261.431 2.226 10 0 CEAERO CCOc1cccc(O[C@@H](c2cnn(C)c2)[C@@H](C)[NH3+])c1 ZINC000051845398 521404712 /nfs/dbraw/zinc/40/47/12/521404712.db2.gz DFSLOZONXXUOPS-IAQYHMDHSA-N 1 0 275.352 2.286 10 0 CEAERO CCN(Cc1ccnc(Cl)c1)C1CC[NH2+]CC1 ZINC000052709509 521413164 /nfs/dbraw/zinc/41/31/64/521413164.db2.gz ILTHOQJXGQTFAM-UHFFFAOYSA-N 1 0 253.777 2.309 10 0 CEAERO CCCN(C(=O)CC1CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000049731506 521416555 /nfs/dbraw/zinc/41/65/55/521416555.db2.gz SSMMSQQQQWQGDX-PBWFPOADSA-N 1 0 250.386 2.308 10 0 CEAERO CCC(CC)(C[NH2+]CCOC)Cc1cnn(C)c1 ZINC000054659006 521442893 /nfs/dbraw/zinc/44/28/93/521442893.db2.gz CUZPVHOCHADNBK-UHFFFAOYSA-N 1 0 253.390 2.005 10 0 CEAERO CCOC(=O)c1cc(N[C@@H](C)C[NH+]2CCCC2)ccc1N ZINC000049189395 521446296 /nfs/dbraw/zinc/44/62/96/521446296.db2.gz DYBPWJXHPOAJLS-LBPRGKRZSA-N 1 0 291.395 2.342 10 0 CEAERO CCN([C@H](C)COC)[C@@H](C[NH3+])c1ccc(F)cc1C ZINC000050579159 521476817 /nfs/dbraw/zinc/47/68/17/521476817.db2.gz LLHDTBQGWCPLJS-DOMZBBRYSA-N 1 0 268.376 2.491 10 0 CEAERO CCC(CC)CN(CC)S(=O)(=O)C[C@@H]1CCCC[NH2+]1 ZINC000049631328 521520101 /nfs/dbraw/zinc/52/01/01/521520101.db2.gz ZIEBGPNNSHFUOI-AWEZNQCLSA-N 1 0 290.473 2.216 10 0 CEAERO CCC(CC)CN(CC)S(=O)(=O)C[C@@H]1CCC[NH2+]C1 ZINC000049644994 521523641 /nfs/dbraw/zinc/52/36/41/521523641.db2.gz GUDDZOIWHBXDIP-CQSZACIVSA-N 1 0 290.473 2.074 10 0 CEAERO CCCc1nc(N2C[C@@H](C)O[C@@H](C)C2)sc1C[NH2+]C ZINC000054995516 521534501 /nfs/dbraw/zinc/53/45/01/521534501.db2.gz QPPDBARBVBJYPN-PHIMTYICSA-N 1 0 283.441 2.429 10 0 CEAERO CCCc1nccn1[C@@H](C)C[C@](C)([NH2+]C(C)C)C(N)=O ZINC000068650299 521555848 /nfs/dbraw/zinc/55/58/48/521555848.db2.gz FOCCLJHQCAMLBH-WFASDCNBSA-N 1 0 280.416 2.029 10 0 CEAERO CC[NH+]1CCC(N(C)Cc2nc(N)ccc2Cl)CC1 ZINC000061638591 521564735 /nfs/dbraw/zinc/56/47/35/521564735.db2.gz VRUQWVKAJPOQKM-UHFFFAOYSA-N 1 0 282.819 2.233 10 0 CEAERO CC[NH+]1CCC(O)(c2ccc(OC)cc2OC)CC1 ZINC000055232481 521582829 /nfs/dbraw/zinc/58/28/29/521582829.db2.gz UHQIWXVRUYKUEM-UHFFFAOYSA-N 1 0 265.353 2.007 10 0 CEAERO CC[NH+]1CCC(O)(c2ccc(OC)c(F)c2)CC1 ZINC000055261615 521583414 /nfs/dbraw/zinc/58/34/14/521583414.db2.gz HKUXFDSFCWPQGR-UHFFFAOYSA-N 1 0 253.317 2.138 10 0 CEAERO CCC[N@H+](CC1CC1)C[C@](NC)(C(=O)OCC)C1CC1 ZINC000069131915 521625992 /nfs/dbraw/zinc/62/59/92/521625992.db2.gz SZOQRFOHEFFFIW-MRXNPFEDSA-N 1 0 282.428 2.040 10 0 CEAERO CCCn1c(S[C@H]([C@H]([NH3+])CC)C(C)(C)C)n[nH]c1=O ZINC000061594878 521635548 /nfs/dbraw/zinc/63/55/48/521635548.db2.gz HYRUJUJMGVEVGK-NXEZZACHSA-N 1 0 286.445 2.226 10 0 CEAERO CCS(=O)(=O)CCOc1ccccc1C[NH2+]C(C)(C)C ZINC000062729249 521645247 /nfs/dbraw/zinc/64/52/47/521645247.db2.gz VJFPRSIZTASUQI-UHFFFAOYSA-N 1 0 299.436 2.388 10 0 CEAERO CCC[NH+](CCC)C[C@@](NC(C)C)(C(=O)OC)C1CC1 ZINC000069095602 521647571 /nfs/dbraw/zinc/64/75/71/521647571.db2.gz KRUWLOGBAIJOMK-INIZCTEOSA-N 1 0 284.444 2.428 10 0 CEAERO CCC1(C)CCN([C@@H](c2cnn(C)c2)[C@H](C)[NH3+])CC1 ZINC000062951312 521678546 /nfs/dbraw/zinc/67/85/46/521678546.db2.gz SGDIKUIDSHGQJM-GXTWGEPZSA-N 1 0 264.417 2.321 10 0 CEAERO CCN1CC[NH+](C[C@H]2C[C@@H](C(C)C)CC[C@@H]2O)CC1 ZINC000054560754 521687210 /nfs/dbraw/zinc/68/72/10/521687210.db2.gz MQORBXSUWZGWHT-XHSDSOJGSA-N 1 0 268.445 2.057 10 0 CEAERO CCCN1C(=O)C[C@@H]([NH2+][C@H](CC)C2CCCCC2)C1=O ZINC000052336408 521699642 /nfs/dbraw/zinc/69/96/42/521699642.db2.gz AASOMZRHSQMHBR-ZIAGYGMSSA-N 1 0 280.412 2.472 10 0 CEAERO CCNC(=O)CC[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000061626771 521735948 /nfs/dbraw/zinc/73/59/48/521735948.db2.gz MHWWLCBOMLMBBY-UHFFFAOYSA-N 1 0 274.286 2.321 10 0 CEAERO COCC[C@@H]([NH3+])C(=O)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000052808815 521820037 /nfs/dbraw/zinc/82/00/37/521820037.db2.gz WVNVISGPSQVDOE-KGLIPLIRSA-N 1 0 296.798 2.367 10 0 CEAERO COCC[C@@H]([NH3+])C(=O)Nc1ccc2sccc2c1 ZINC000052792132 521828035 /nfs/dbraw/zinc/82/80/35/521828035.db2.gz XSZUBWHNONHQSY-LLVKDONJSA-N 1 0 264.350 2.204 10 0 CEAERO COCC[C@@H]([NH3+])C(=O)Nc1ccccc1C(F)(F)F ZINC000052790764 521829219 /nfs/dbraw/zinc/82/92/19/521829219.db2.gz GSAPNTMRIWCTBF-SECBINFHSA-N 1 0 276.258 2.008 10 0 CEAERO COc1c(C[NH2+]C2C(C)(C)C2(C)C)c(C)nn1C ZINC000164277499 521832790 /nfs/dbraw/zinc/83/27/90/521832790.db2.gz NQLMJEBXGVXCMR-UHFFFAOYSA-N 1 0 251.374 2.261 10 0 CEAERO CN(C)C[C@@H]1CCC[N@@H+]1C[C@@H]1CCCCCC1=O ZINC000061653380 521837957 /nfs/dbraw/zinc/83/79/57/521837957.db2.gz SSHFPIVFXXXXBQ-KBPBESRZSA-N 1 0 252.402 2.162 10 0 CEAERO C[NH+](C)C[C@@H]1CCCN1c1c(N)ccc(F)c1F ZINC000061643007 521843549 /nfs/dbraw/zinc/84/35/49/521843549.db2.gz ORJRQHWYXZLMRF-VIFPVBQESA-N 1 0 255.312 2.077 10 0 CEAERO C[NH+](C)C[C@@H]1CCCN1c1ccc(Br)cn1 ZINC000061655920 521844046 /nfs/dbraw/zinc/84/40/46/521844046.db2.gz RPUUGZVZGNYASX-NSHDSACASA-N 1 0 284.201 2.375 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1CC(=O)c1cc(F)ccc1F ZINC000061645652 521866196 /nfs/dbraw/zinc/86/61/96/521866196.db2.gz CXEDXSAUKSCJIX-GFCCVEGCSA-N 1 0 282.334 2.174 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1c1ccc(N)c2ncccc12 ZINC000061642957 521873095 /nfs/dbraw/zinc/87/30/95/521873095.db2.gz FQXQGHINGROBBM-GFCCVEGCSA-N 1 0 270.380 2.347 10 0 CEAERO COCC[C@@](C)([NH3+])c1ccc2c(c1)OCCCO2 ZINC000055198461 521893057 /nfs/dbraw/zinc/89/30/57/521893057.db2.gz SLFYIGZHUBUPSV-CQSZACIVSA-N 1 0 251.326 2.058 10 0 CEAERO COc1cc(-c2n[nH]c(CCC[NH3+])n2)cc(Cl)c1OC ZINC000061844184 521909824 /nfs/dbraw/zinc/90/98/24/521909824.db2.gz MAYIVRGMFMBMNS-UHFFFAOYSA-N 1 0 296.758 2.034 10 0 CEAERO CCc1ccccc1O[C@@H](C)C[C@](C)([NH2+]C1CC1)C(N)=O ZINC000068657435 521925409 /nfs/dbraw/zinc/92/54/09/521925409.db2.gz AEGGMYUBWHLQJV-SJCJKPOMSA-N 1 0 290.407 2.402 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N[C@@H](C)Cc1c(F)cccc1F ZINC000061316703 521936280 /nfs/dbraw/zinc/93/62/80/521936280.db2.gz FPDJLJNYLMZJCH-VIFPVBQESA-N 1 0 270.323 2.010 10 0 CEAERO C[NH2+]C(C)(C)C(=O)Nc1cccc(-n2cccc2)c1 ZINC000061316479 521942719 /nfs/dbraw/zinc/94/27/19/521942719.db2.gz MEWPZEMLRPDEIA-UHFFFAOYSA-N 1 0 257.337 2.414 10 0 CEAERO C[NH2+]C(C)(C)C(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000061300695 521943596 /nfs/dbraw/zinc/94/35/96/521943596.db2.gz XIYOXBSUIDRYHC-UHFFFAOYSA-N 1 0 264.325 2.130 10 0 CEAERO C[NH2+]C(C)(C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000061316693 521943682 /nfs/dbraw/zinc/94/36/82/521943682.db2.gz FGHUOMJASVBRLF-UHFFFAOYSA-N 1 0 261.369 2.223 10 0 CEAERO COCC[C@H]([NH3+])c1nc(-c2cc(F)ccc2F)c[nH]1 ZINC000052811119 521950722 /nfs/dbraw/zinc/95/07/22/521950722.db2.gz XAMWFZZGZKUJIJ-NSHDSACASA-N 1 0 267.279 2.391 10 0 CEAERO CCc1ccccc1[C@H](C[NH3+])N(CCOC)[C@@H](C)COC ZINC000052203831 521953004 /nfs/dbraw/zinc/95/30/04/521953004.db2.gz LKJRZJKUPKSNAD-YOEHRIQHSA-N 1 0 294.439 2.232 10 0 CEAERO C[NH2+]CC[C@@H](C)N1CCN(c2cccc(C)c2C)CC1 ZINC000052376270 522017061 /nfs/dbraw/zinc/01/70/61/522017061.db2.gz ZSXJNKLNIKPGBQ-OAHLLOKOSA-N 1 0 275.440 2.423 10 0 CEAERO C[NH2+]CCc1nnc(-c2nccc3ccccc32)o1 ZINC000050619643 522022278 /nfs/dbraw/zinc/02/22/78/522022278.db2.gz VXHNDBMDLYPJJU-UHFFFAOYSA-N 1 0 254.293 2.047 10 0 CEAERO C[NH2+]CCc1noc(-c2cccc3cccnc32)n1 ZINC000061418890 522022339 /nfs/dbraw/zinc/02/23/39/522022339.db2.gz GRKUMFKLJQGAEH-UHFFFAOYSA-N 1 0 254.293 2.047 10 0 CEAERO C[NH2+]C[C@@H](Cc1cc(C)cc(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000052950053 522033681 /nfs/dbraw/zinc/03/36/81/522033681.db2.gz JVRDUPCHOOQAOM-HZPDHXFCSA-N 1 0 295.448 2.116 10 0 CEAERO C[NH2+]C[C@@H](OC[C@@H]1CCOC1)c1ccccc1OC ZINC000050501836 522036616 /nfs/dbraw/zinc/03/66/16/522036616.db2.gz QQGXUJZNDHZXRI-IUODEOHRSA-N 1 0 265.353 2.009 10 0 CEAERO C[NH2+]C[C@@H]1CCCCN1c1ccc(C(N)=O)cc1Cl ZINC000063169403 522039569 /nfs/dbraw/zinc/03/95/69/522039569.db2.gz CRLVWGBFZPAGON-NSHDSACASA-N 1 0 281.787 2.017 10 0 CEAERO C[NH2+]C[C@@H]1C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000054588695 522061250 /nfs/dbraw/zinc/06/12/50/522061250.db2.gz NHUKAAIFABLYIS-QWRGUYRKSA-N 1 0 251.326 2.035 10 0 CEAERO C[NH2+]C[C@@H]1C[C@H]1c1ccc(OC)c(OC)c1OC ZINC000054588674 522061474 /nfs/dbraw/zinc/06/14/74/522061474.db2.gz HAIHAYGLEPMKPG-GXSJLCMTSA-N 1 0 251.326 2.035 10 0 CEAERO C[NH2+]C[C@H](C)N1CCN(c2cccc(Cl)c2)CC1 ZINC000052418969 522072734 /nfs/dbraw/zinc/07/27/34/522072734.db2.gz PLOPTZWJNDMFFM-LBPRGKRZSA-N 1 0 267.804 2.070 10 0 CEAERO C[NH2+]C[C@H](C)Oc1cccc(I)c1 ZINC000052696184 522072815 /nfs/dbraw/zinc/07/28/15/522072815.db2.gz BNZGGGZXSNQZBL-QMMMGPOBSA-N 1 0 291.132 2.278 10 0 CEAERO C[NH2+]C[C@H](Cc1ccc(C)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000052950229 522074639 /nfs/dbraw/zinc/07/46/39/522074639.db2.gz GOIHUSHYRFKIJR-HOTGVXAUSA-N 1 0 295.448 2.116 10 0 CEAERO C[NH2+]C[C@H](OCCOC)c1ccc(Br)cc1 ZINC000050495576 522075609 /nfs/dbraw/zinc/07/56/09/522075609.db2.gz GTVOZDAZXSQFLJ-LBPRGKRZSA-N 1 0 288.185 2.373 10 0 CEAERO C[NH2+]C[C@H](c1ccccc1)N(C)Cc1ccccn1 ZINC000052478914 522078019 /nfs/dbraw/zinc/07/80/19/522078019.db2.gz HOEIAVMICQJDAQ-MRXNPFEDSA-N 1 0 255.365 2.474 10 0 CEAERO CC[C@@H](C)N(CCOC)Cc1csc(C[NH2+]C)n1 ZINC000052547165 522091411 /nfs/dbraw/zinc/09/14/11/522091411.db2.gz GUVXGPHZCVFRLS-LLVKDONJSA-N 1 0 271.430 2.109 10 0 CEAERO C[NH2+]C[C@H]1CC[C@@H](COc2cccc3cccnc32)O1 ZINC000052694000 522096095 /nfs/dbraw/zinc/09/60/95/522096095.db2.gz IRVNWCGLVZHZPY-KGLIPLIRSA-N 1 0 272.348 2.381 10 0 CEAERO C[NH2+]C[C@H]1CC[C@H](CN(C)c2ccccc2F)O1 ZINC000052543117 522096659 /nfs/dbraw/zinc/09/66/59/522096659.db2.gz ABBNELCCPWQEGP-VXGBXAGGSA-N 1 0 252.333 2.029 10 0 CEAERO CCc1csc(N2CCC(C[NH2+]CCOC)CC2)n1 ZINC000061895138 522103479 /nfs/dbraw/zinc/10/34/79/522103479.db2.gz GMAMWXJRGPOTGG-UHFFFAOYSA-N 1 0 283.441 2.158 10 0 CEAERO C[NH2+]Cc1cc(Cl)ccc1OCc1ncccn1 ZINC000054458329 522110375 /nfs/dbraw/zinc/11/03/75/522110375.db2.gz VFEYALATMKQBNY-UHFFFAOYSA-N 1 0 263.728 2.428 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc(N)ccc2C)CC1 ZINC000055064043 522114199 /nfs/dbraw/zinc/11/41/99/522114199.db2.gz GPIRGCOYQRWCQB-CYBMUJFWSA-N 1 0 275.396 2.134 10 0 CEAERO C[NH2+]Cc1cc(F)ccc1N1CCC[C@@H]1CCCO ZINC000052761748 522115248 /nfs/dbraw/zinc/11/52/48/522115248.db2.gz VSONZQRQTPBKDL-CQSZACIVSA-N 1 0 266.360 2.286 10 0 CEAERO C[NH2+]Cc1ccc(Cn2cc(Br)cn2)cc1 ZINC000052577550 522116632 /nfs/dbraw/zinc/11/66/32/522116632.db2.gz QQEZJFLVYOGWAY-UHFFFAOYSA-N 1 0 280.169 2.413 10 0 CEAERO C[NH2+]Cc1ccc(OCCn2nc(C)cc2C)cc1 ZINC000052575844 522122277 /nfs/dbraw/zinc/12/22/77/522122277.db2.gz IQZUPCNULXBQPY-UHFFFAOYSA-N 1 0 259.353 2.298 10 0 CEAERO CC[C@@H](C)N1CC[NH+](C[C@@H]2CCCCC2=O)CC1 ZINC000055071462 522124141 /nfs/dbraw/zinc/12/41/41/522124141.db2.gz DTQVAQVTBWVQGF-KGLIPLIRSA-N 1 0 252.402 2.162 10 0 CEAERO CN(C)c1ccc(-c2noc([C@@H]3CCC[NH2+]3)n2)cc1 ZINC000045893133 522128642 /nfs/dbraw/zinc/12/86/42/522128642.db2.gz ZYQOXGCTRQTNJE-LBPRGKRZSA-N 1 0 258.325 2.227 10 0 CEAERO C[NH2+]Cc1cnc(-c2ccc3ncccc3c2)nc1 ZINC000062802635 522145544 /nfs/dbraw/zinc/14/55/44/522145544.db2.gz UFKGFRBXQCFQDF-UHFFFAOYSA-N 1 0 250.305 2.411 10 0 CEAERO C[NH2+]Cc1cnn(-c2cc(C)ncn2)c1-c1ccccc1 ZINC000049960740 522149694 /nfs/dbraw/zinc/14/96/94/522149694.db2.gz OYQXDGAAQLRVEO-UHFFFAOYSA-N 1 0 279.347 2.357 10 0 CEAERO C[NH2+]Cc1oc(CN2CCO[C@H]3CCCC[C@@H]32)cc1C ZINC000052573248 522161439 /nfs/dbraw/zinc/16/14/39/522161439.db2.gz CEUCTUKFFQVFKN-GJZGRUSLSA-N 1 0 278.396 2.451 10 0 CEAERO C[NH2+]Cc1oc2ccccc2c1Cn1nc(C)nc1C ZINC000052574373 522162129 /nfs/dbraw/zinc/16/21/29/522162129.db2.gz SKGZEGMWEZBXSY-UHFFFAOYSA-N 1 0 270.336 2.409 10 0 CEAERO COc1cc(C)c(CN2[C@H](C)C[NH2+]C[C@H]2C)cc1OC ZINC000069134819 522195535 /nfs/dbraw/zinc/19/55/35/522195535.db2.gz CCKMBPCRHLGLLM-CHWSQXEVSA-N 1 0 278.396 2.194 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)N[C@@H]1CCc2ccccc2C1 ZINC000051632322 522227351 /nfs/dbraw/zinc/22/73/51/522227351.db2.gz IMPRLYFMCZOGPJ-IUODEOHRSA-N 1 0 260.381 2.048 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)N1CCCc2ccccc2C1 ZINC000062945990 522228663 /nfs/dbraw/zinc/22/86/63/522228663.db2.gz IRJRCTGNEXAZHR-CYBMUJFWSA-N 1 0 260.381 2.350 10 0 CEAERO COc1cc(C)ccc1Oc1ccnc(C(N)=[NH2+])c1 ZINC000061814495 522280819 /nfs/dbraw/zinc/28/08/19/522280819.db2.gz TYWAVPOYFVEITI-UHFFFAOYSA-N 1 0 257.293 2.475 10 0 CEAERO COC(=O)c1ccccc1OCC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000183168073 522286896 /nfs/dbraw/zinc/28/68/96/522286896.db2.gz HLBIHBWIGDNTLM-TZMCWYRMSA-N 1 0 293.363 2.009 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(F)cc1OC ZINC000049569945 522303176 /nfs/dbraw/zinc/30/31/76/522303176.db2.gz ARCOIMJARHYGOQ-PRHODGIISA-N 1 0 254.305 2.146 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(F)cc1OCC(=O)N(C)C(C)C ZINC000062746635 522330671 /nfs/dbraw/zinc/33/06/71/522330671.db2.gz DFCNFAZDJMTIIK-NSHDSACASA-N 1 0 282.359 2.352 10 0 CEAERO CC[C@@H](C)[C@@H]1C[NH2+][C@H](C(C)C)CN1Cc1ncccn1 ZINC000068703051 522333004 /nfs/dbraw/zinc/33/30/04/522333004.db2.gz GDPGPNWJXLRVAS-ILXRZTDVSA-N 1 0 276.428 2.321 10 0 CEAERO CC[C@H]([NH3+])Cc1cnc(-c2ccc(OC)cc2)nc1 ZINC000054858258 522334808 /nfs/dbraw/zinc/33/48/08/522334808.db2.gz FKPMFWIJJCBIDI-ZDUSSCGKSA-N 1 0 257.337 2.432 10 0 CEAERO CC[C@H]([NH3+])Cc1cnc(Cc2cccc(OC)c2)nc1 ZINC000054858303 522335174 /nfs/dbraw/zinc/33/51/74/522335174.db2.gz WANGIIXNWZFNFA-AWEZNQCLSA-N 1 0 271.364 2.356 10 0 CEAERO C[NH2+][C@@H](C)c1cccc(NC(=O)[C@@H]2CCCCO2)c1 ZINC000050959779 522335333 /nfs/dbraw/zinc/33/53/33/522335333.db2.gz GZSRHOANSFCMHE-FZMZJTMJSA-N 1 0 262.353 2.475 10 0 CEAERO CC[C@H]([NH3+])Cc1nccn1CCCOCC(F)(F)F ZINC000062803199 522338203 /nfs/dbraw/zinc/33/82/03/522338203.db2.gz QRWWPTNPCQJYSH-JTQLQIEISA-N 1 0 279.306 2.132 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C(C)C)c1ccco1 ZINC000061595161 522342118 /nfs/dbraw/zinc/34/21/18/522342118.db2.gz NRZNZANTWFBOGR-ONGXEEELSA-N 1 0 296.396 2.316 10 0 CEAERO CC[C@H]([NH3+])[C@](O)(c1ccc(N(C)C)cc1)C(F)(F)F ZINC000062784253 522346488 /nfs/dbraw/zinc/34/64/88/522346488.db2.gz LPAFITSTTOZGJU-NWDGAFQWSA-N 1 0 276.302 2.240 10 0 CEAERO C[NH2+][C@@H](CCOC)c1ccc2c(c1)OCCCO2 ZINC000055225806 522347343 /nfs/dbraw/zinc/34/73/43/522347343.db2.gz JYYSRUWVETYKMN-LBPRGKRZSA-N 1 0 251.326 2.145 10 0 CEAERO C[NH2+][C@@H](CN1CCN(C)C1=O)c1ccc(OC(C)C)cc1 ZINC000052885586 522354873 /nfs/dbraw/zinc/35/48/73/522354873.db2.gz JDJDPLWQVBOUJQ-HNNXBMFYSA-N 1 0 291.395 2.102 10 0 CEAERO C[NH2+][C@@H](COc1cc(OC)cc(OC)c1)C1CC1 ZINC000069085065 522356566 /nfs/dbraw/zinc/35/65/66/522356566.db2.gz PVWWRIFUDFTCJA-AWEZNQCLSA-N 1 0 251.326 2.081 10 0 CEAERO C[NH2+][C@@H](Cc1cc(C)ccc1OC)c1cnccn1 ZINC000050706844 522358685 /nfs/dbraw/zinc/35/86/85/522358685.db2.gz JQFVEJHZMKJEMX-ZDUSSCGKSA-N 1 0 257.337 2.297 10 0 CEAERO C[NH2+][C@@H](Cc1cnn(C)c1)c1ccc2ccccc2n1 ZINC000063076135 522362264 /nfs/dbraw/zinc/36/22/64/522362264.db2.gz KRVVNRUSOMVRAI-INIZCTEOSA-N 1 0 266.348 2.472 10 0 CEAERO C[NH2+][C@@H](c1ccc(OC)cc1Cl)[C@H]1COCCO1 ZINC000055300797 522370640 /nfs/dbraw/zinc/37/06/40/522370640.db2.gz WIHOLQGGVOPUFU-OLZOCXBDSA-N 1 0 271.744 2.025 10 0 CEAERO C[NH2+][C@@H](c1ccc2c(c1)CCC(=O)N2C)[C@H]1CCCOC1 ZINC000062806539 522370743 /nfs/dbraw/zinc/37/07/43/522370743.db2.gz JICWTBOXFSGTDD-YOEHRIQHSA-N 1 0 288.391 2.283 10 0 CEAERO C[NH2+][C@@H](c1cncnc1)C1(c2ccccc2)CCOCC1 ZINC000062783701 522373907 /nfs/dbraw/zinc/37/39/07/522373907.db2.gz PBUUYMWWOAXKEK-INIZCTEOSA-N 1 0 283.375 2.486 10 0 CEAERO C[NH2+][C@@H]1CCc2c1cccc2O[C@H](C)C(=O)NC(C)C ZINC000062799294 522397721 /nfs/dbraw/zinc/39/77/21/522397721.db2.gz KXSQDNXNPDFRNH-BXUZGUMPSA-N 1 0 276.380 2.185 10 0 CEAERO C[NH2+][C@H](C)c1ccc(F)cc1OCCCC(=O)OC ZINC000062746263 522447525 /nfs/dbraw/zinc/44/75/25/522447525.db2.gz LSCIOTKFDGSQKG-SNVBAGLBSA-N 1 0 269.316 2.438 10 0 CEAERO C[NH2+][C@H](C)c1cccc(OC[C@@H](O)C(F)(F)F)c1 ZINC000068876503 522451921 /nfs/dbraw/zinc/45/19/21/522451921.db2.gz ISAADWVPWWATCY-LDYMZIIASA-N 1 0 263.259 2.269 10 0 CEAERO COc1cc(C[NH2+][C@@H]2C[C@@H]2C)cc(OC)c1OC ZINC000052269327 522481440 /nfs/dbraw/zinc/48/14/40/522481440.db2.gz XFPVHDBEATUEKC-GXSJLCMTSA-N 1 0 251.326 2.210 10 0 CEAERO C[NH2+][C@H]1CCN(Cc2ccc(F)cc2F)C[C@@H]1C ZINC000051017519 522503094 /nfs/dbraw/zinc/50/30/94/522503094.db2.gz KBQAHVUPQXOAHN-HZMBPMFUSA-N 1 0 254.324 2.395 10 0 CEAERO CCc1nc2ccccc2n1[C@@H](c1cnn(C)c1)[C@@H](C)[NH3+] ZINC000062807215 522507006 /nfs/dbraw/zinc/50/70/06/522507006.db2.gz ALGPTMMUZGWITK-BDJLRTHQSA-N 1 0 283.379 2.269 10 0 CEAERO C[NH2+][C@](C)(CCCCOCCCc1ccccc1)C(N)=O ZINC000045628338 522514295 /nfs/dbraw/zinc/51/42/95/522514295.db2.gz LMDRRUSBVPKPON-QGZVFWFLSA-N 1 0 292.423 2.270 10 0 CEAERO C[NH2+][C@](C)(CCCC[NH+]1Cc2ccccc2C1)C(=O)[O-] ZINC000050912333 522514387 /nfs/dbraw/zinc/51/43/87/522514387.db2.gz QRFDIWGDCFYIRV-MRXNPFEDSA-N 1 0 276.380 2.235 10 0 CEAERO CC[C@H](NC(=O)c1ccc(NN)[nH+]c1)c1cccs1 ZINC000051095056 522537609 /nfs/dbraw/zinc/53/76/09/522537609.db2.gz KKBYGKBZUDZIDM-JTQLQIEISA-N 1 0 276.365 2.310 10 0 CEAERO CC[C@@H](C[NH2+]C1CC1)[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000052973868 522545018 /nfs/dbraw/zinc/54/50/18/522545018.db2.gz QXELNUHONYOZKX-FZMZJTMJSA-N 1 0 279.405 2.336 10 0 CEAERO CC[C@@H](C[NH2+]C1CC1)OCc1ccc2c(c1)OCO2 ZINC000052624951 522545436 /nfs/dbraw/zinc/54/54/36/522545436.db2.gz QGABJKYHRAIOQC-ZDUSSCGKSA-N 1 0 263.337 2.463 10 0 CEAERO CC[C@@H](C[NH2+]C(C)C)Oc1cccc(S(C)(=O)=O)c1 ZINC000052701435 522546065 /nfs/dbraw/zinc/54/60/65/522546065.db2.gz JCADCDSEZFXBLU-LBPRGKRZSA-N 1 0 285.409 2.246 10 0 CEAERO CNc1c(F)cccc1C(=O)NC[C@H]1CCCC[N@@H+]1C ZINC000054210250 522547038 /nfs/dbraw/zinc/54/70/38/522547038.db2.gz UZFHMRAVHCDNBY-LLVKDONJSA-N 1 0 279.359 2.082 10 0 CEAERO CCc1nccn1-c1cc(C(N)=[NH2+])c2ccccc2n1 ZINC000068798112 522579893 /nfs/dbraw/zinc/57/98/93/522579893.db2.gz OBJFAWUHWIDFCR-UHFFFAOYSA-N 1 0 265.320 2.267 10 0 CEAERO COc1cc(F)c([C@@H]([NH3+])C2CCOCC2)cc1OC ZINC000061672320 522584881 /nfs/dbraw/zinc/58/48/81/522584881.db2.gz ZDCWYAJZRLKPDQ-AWEZNQCLSA-N 1 0 269.316 2.269 10 0 CEAERO CCc1nccn1C[C@@H]1CC[C@H](C[NH2+]C(C)(C)C)O1 ZINC000052593184 522587028 /nfs/dbraw/zinc/58/70/28/522587028.db2.gz SFPADKUFRBKTKD-OLZOCXBDSA-N 1 0 265.401 2.381 10 0 CEAERO COc1cc(F)ccc1NC(=O)C[C@@H]1CCCC[NH2+]1 ZINC000049570469 522603737 /nfs/dbraw/zinc/60/37/37/522603737.db2.gz DJZHSGCPBQPHOP-NSHDSACASA-N 1 0 266.316 2.305 10 0 CEAERO CC[C@@H]([NH3+])Cc1c(C)nn(Cc2ccccn2)c1C ZINC000062803308 522641608 /nfs/dbraw/zinc/64/16/08/522641608.db2.gz XCDMXTDMGUQMHF-CYBMUJFWSA-N 1 0 258.369 2.223 10 0 CEAERO CC[C@@H]([NH3+])Cc1noc(-c2cncc(Br)c2)n1 ZINC000054184862 522646503 /nfs/dbraw/zinc/64/65/03/522646503.db2.gz BYJSHAUHVHDNEB-SECBINFHSA-N 1 0 297.156 2.174 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1nnc(C)o1)c1ccccn1 ZINC000051038013 522654344 /nfs/dbraw/zinc/65/43/44/522654344.db2.gz YVJLQUBYGPNIGU-KOLCDFICSA-N 1 0 264.354 2.344 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C1CC1)C(C)(C)C ZINC000061594615 522654359 /nfs/dbraw/zinc/65/43/59/522654359.db2.gz FZYJAKUIKCAAJQ-ZJUUUORDSA-N 1 0 284.429 2.150 10 0 CEAERO CC[C@H](NS(=O)(=O)CC[NH2+]C(C)C)C1CCCCC1 ZINC000052344045 522678016 /nfs/dbraw/zinc/67/80/16/522678016.db2.gz FRGBWFADESHRDY-AWEZNQCLSA-N 1 0 290.473 2.263 10 0 CEAERO CN(CCC1CC[NH2+]CC1)C(=O)Cc1ccccc1 ZINC000048259846 522712054 /nfs/dbraw/zinc/71/20/54/522712054.db2.gz OSGWAIHPNDYRLB-UHFFFAOYSA-N 1 0 260.381 2.077 10 0 CEAERO COC[C@H](O)CN(C)c1ccc(F)cc1C[NH2+]C(C)(C)C ZINC000062737681 522782224 /nfs/dbraw/zinc/78/22/24/522782224.db2.gz JMOHETHXJHGGQK-CQSZACIVSA-N 1 0 298.402 2.157 10 0 CEAERO COc1cc(OC)c(CN[C@H](C)CC[NH+](C)C)c(OC)c1 ZINC000049553807 522797441 /nfs/dbraw/zinc/79/74/41/522797441.db2.gz WDQSOXGNLBMKIG-GFCCVEGCSA-N 1 0 296.411 2.142 10 0 CEAERO CC[C@H](O)COc1ccc(Cl)cc1C[NH2+]CCOC ZINC000062731040 522822066 /nfs/dbraw/zinc/82/20/66/522822066.db2.gz GEPVKHYUEXTHFE-ZDUSSCGKSA-N 1 0 287.787 2.226 10 0 CEAERO COc1cc(OC)cc(O[C@@H](C[NH3+])c2ccncc2)c1 ZINC000068800559 522875686 /nfs/dbraw/zinc/87/56/86/522875686.db2.gz FNSVSDLSBGKOHI-HNNXBMFYSA-N 1 0 274.320 2.178 10 0 CEAERO COc1cc([C@@H](C)[NH3+])ccc1OCc1ncccn1 ZINC000054458268 522902266 /nfs/dbraw/zinc/90/22/66/522902266.db2.gz WXPISUUVQSHOFR-SNVBAGLBSA-N 1 0 259.309 2.084 10 0 CEAERO CC[C@@H]([NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1)C(C)C ZINC000049127606 522913338 /nfs/dbraw/zinc/91/33/38/522913338.db2.gz CXACZAGLYYWZJW-SMDDNHRTSA-N 1 0 284.425 2.419 10 0 CEAERO COCc1cc(Cl)nc(NCCC[NH+]2CCCC2)n1 ZINC000057345829 522927682 /nfs/dbraw/zinc/92/76/82/522927682.db2.gz ILJWWSRHQQACHI-UHFFFAOYSA-N 1 0 284.791 2.174 10 0 CEAERO CCn1c(=O)[nH]nc1Sc1ccc(F)cc1[C@H](C)[NH2+]C ZINC000061595854 523096652 /nfs/dbraw/zinc/09/66/52/523096652.db2.gz FOGVUJBFUCYOMU-QMMMGPOBSA-N 1 0 296.371 2.162 10 0 CEAERO COc1ccc(-c2nc(C[C@H]3CCC[NH2+]C3)no2)cc1 ZINC000063084655 523214010 /nfs/dbraw/zinc/21/40/10/523214010.db2.gz VGCIIKMXGHVOKL-LLVKDONJSA-N 1 0 273.336 2.287 10 0 CEAERO COC(=O)COc1ccc(C[NH2+]C(C)(C)C)cc1OC ZINC000062731803 523223896 /nfs/dbraw/zinc/22/38/96/523223896.db2.gz GHQRQFWXPAGBFR-UHFFFAOYSA-N 1 0 281.352 2.135 10 0 CEAERO COc1ccc(-c2nnc(C[NH2+]C(C)C)o2)cc1OC ZINC000050615914 523252982 /nfs/dbraw/zinc/25/29/82/523252982.db2.gz VWAIJLJELWHOAE-UHFFFAOYSA-N 1 0 277.324 2.252 10 0 CEAERO CCn1c2cc(F)ccc2nc1[C@@H]([NH3+])CCOC ZINC000052785298 523256770 /nfs/dbraw/zinc/25/67/70/523256770.db2.gz IUDDRZZJRWORJU-JTQLQIEISA-N 1 0 251.305 2.232 10 0 CEAERO CC[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(C[NH3+])cc2)C1 ZINC000068586409 523281924 /nfs/dbraw/zinc/28/19/24/523281924.db2.gz CXMZEXNLAKQOHL-TZMCWYRMSA-N 1 0 296.436 2.392 10 0 CEAERO CC[C@@H]1CCC[C@H](NC(=O)c2cnn(CCC[NH3+])c2C)C1 ZINC000068599373 523304269 /nfs/dbraw/zinc/30/42/69/523304269.db2.gz AYPYPULJTCHDCO-KGLIPLIRSA-N 1 0 292.427 2.239 10 0 CEAERO CN(Cc1cccc(F)c1)c1ccnc(C(N)=[NH2+])c1 ZINC000061814046 523315251 /nfs/dbraw/zinc/31/52/51/523315251.db2.gz UFWLVCWSUZPMIX-UHFFFAOYSA-N 1 0 258.300 2.141 10 0 CEAERO COC(=O)C[C@H](C)C[C@@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000061829694 523324879 /nfs/dbraw/zinc/32/48/79/523324879.db2.gz WMUBYVKPZFWXNA-DGCLKSJQSA-N 1 0 293.363 2.437 10 0 CEAERO CC[C@H]1CO[C@@H](C)CN1c1nc2ccccn2c1C[NH2+]C ZINC000048916156 523346557 /nfs/dbraw/zinc/34/65/57/523346557.db2.gz GEUNZVZHHJJFIK-STQMWFEESA-N 1 0 288.395 2.057 10 0 CEAERO COCCC[NH2+]C[C@H](C)Oc1cc(F)cc(F)c1 ZINC000054934971 523372494 /nfs/dbraw/zinc/37/24/94/523372494.db2.gz RHUDWTUJZHQQOO-JTQLQIEISA-N 1 0 259.296 2.358 10 0 CEAERO COCCC[NH2+]C[C@@H](C)Oc1cc(F)cc(F)c1 ZINC000054934973 523373612 /nfs/dbraw/zinc/37/36/12/523373612.db2.gz RHUDWTUJZHQQOO-SNVBAGLBSA-N 1 0 259.296 2.358 10 0 CEAERO CN(Cc1ccccc1F)Cc1ccc[nH+]c1NN ZINC000052721163 523373788 /nfs/dbraw/zinc/37/37/88/523373788.db2.gz UBUXWKIRVTZHMN-UHFFFAOYSA-N 1 0 260.316 2.138 10 0 CEAERO CCn1cc(CN2CC[NH2+][C@H](C3CCCCC3)C2)cn1 ZINC000068693994 523374681 /nfs/dbraw/zinc/37/46/81/523374681.db2.gz KURXVSYLNZBTKL-INIZCTEOSA-N 1 0 276.428 2.257 10 0 CEAERO CCn1cc(C[C@@H](C[NH2+]CCOC)CC(C)C)cn1 ZINC000054662243 523395012 /nfs/dbraw/zinc/39/50/12/523395012.db2.gz VSACSFUFRBROAH-AWEZNQCLSA-N 1 0 267.417 2.344 10 0 CEAERO CCn1cc(C[C@@H]([NH3+])c2ccc(OC)c(OC)c2)cn1 ZINC000050542306 523395236 /nfs/dbraw/zinc/39/52/36/523395236.db2.gz UFWKYZZLRHJQJQ-CYBMUJFWSA-N 1 0 275.352 2.163 10 0 CEAERO CCn1cc(C[C@](C)([NH3+])c2ccc(OC)cc2)cn1 ZINC000050541700 523397993 /nfs/dbraw/zinc/39/79/93/523397993.db2.gz YETIGPNPHOUBLU-HNNXBMFYSA-N 1 0 259.353 2.328 10 0 CEAERO CC[C@](C)(C[NH2+]C(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000054661560 523464646 /nfs/dbraw/zinc/46/46/46/523464646.db2.gz PKIVYAOZYDFHPC-WCQYABFASA-N 1 0 261.431 2.226 10 0 CEAERO COC(=O)[C@@H](C)C[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000062052657 523512781 /nfs/dbraw/zinc/51/27/81/523512781.db2.gz XSZRPYJKHIMCHD-QWRGUYRKSA-N 1 0 253.317 2.155 10 0 CEAERO CC[C@]1(C(=O)N2CCCc3ccccc32)CC[NH2+]C1 ZINC000062889593 523537480 /nfs/dbraw/zinc/53/74/80/523537480.db2.gz HRPBMHCTSVITTI-INIZCTEOSA-N 1 0 258.365 2.356 10 0 CEAERO CC[C@]1(C(=O)N[C@@H](C)c2ccc(F)cc2)CC[NH2+]C1 ZINC000062899289 523541666 /nfs/dbraw/zinc/54/16/66/523541666.db2.gz BAGWPBZWCKHRNF-NHYWBVRUSA-N 1 0 264.344 2.393 10 0 CEAERO COC(=O)[C@@H](NCC[NH+](C)C)c1csc2ccccc21 ZINC000054465343 523626854 /nfs/dbraw/zinc/62/68/54/523626854.db2.gz JKDOODWUYOZOCI-AWEZNQCLSA-N 1 0 292.404 2.267 10 0 CEAERO CN(c1ccc(F)cc1)[C@@H](C[NH3+])C1CCOCC1 ZINC000052177938 523638250 /nfs/dbraw/zinc/63/82/50/523638250.db2.gz BIBTXOHJPKHWFF-AWEZNQCLSA-N 1 0 252.333 2.016 10 0 CEAERO CC[C@@]1(CNCc2csc(C)n2)CCC[NH2+]C1 ZINC000062862664 523734706 /nfs/dbraw/zinc/73/47/06/523734706.db2.gz ALJORBRTGXPTPE-CYBMUJFWSA-N 1 0 253.415 2.321 10 0 CEAERO COC(=O)[C@@](C)([NH3+])C[C@@H](C)n1ccnc1-c1cccs1 ZINC000068649637 523818632 /nfs/dbraw/zinc/81/86/32/523818632.db2.gz UGOKPXGUYMFGPO-YGRLFVJLSA-N 1 0 293.392 2.453 10 0 CEAERO COC(=O)[C@@](C[NH+]1CCC(C)CC1)(NC(C)C)C1CC1 ZINC000069092602 523822976 /nfs/dbraw/zinc/82/29/76/523822976.db2.gz RKCYCBWNIQPLLQ-INIZCTEOSA-N 1 0 282.428 2.038 10 0 CEAERO COCC[NH2+]CCCc1cnn(-c2ccc(C)cc2)c1 ZINC000054670344 523936714 /nfs/dbraw/zinc/93/67/14/523936714.db2.gz LWBVXCNPDRHDNC-UHFFFAOYSA-N 1 0 273.380 2.349 10 0 CEAERO COCC[NH2+]C[C@@H]1CCCCN1Cc1ccccc1OC ZINC000053653767 523940268 /nfs/dbraw/zinc/94/02/68/523940268.db2.gz MKQCQKVSUDKZBP-INIZCTEOSA-N 1 0 292.423 2.286 10 0 CEAERO COCC[NH2+]C[C@@](C)(O)c1cc(Cl)ccc1Cl ZINC000055033607 523942468 /nfs/dbraw/zinc/94/24/68/523942468.db2.gz JMOXUTLMGIRURJ-GFCCVEGCSA-N 1 0 278.179 2.437 10 0 CEAERO COc1ccc(CC[NH3+])c(OCC2CCOCC2)c1 ZINC000052174919 523942780 /nfs/dbraw/zinc/94/27/80/523942780.db2.gz NPPKALWSYDIJPF-UHFFFAOYSA-N 1 0 265.353 2.002 10 0 CEAERO COCC[NH2+]C[C@@]1(CCOc2ccccc2)CCOC1 ZINC000054666550 523942897 /nfs/dbraw/zinc/94/28/97/523942897.db2.gz IWLNTSBLCRMNMR-INIZCTEOSA-N 1 0 279.380 2.098 10 0 CEAERO COCC[NH2+]C[C@H]1C[C@H]1c1ccc(Br)o1 ZINC000054598440 523944811 /nfs/dbraw/zinc/94/48/11/523944811.db2.gz QVNURBKLOLOSBD-RKDXNWHRSA-N 1 0 274.158 2.382 10 0 CEAERO CC[C@H](C)N1CC[NH+](C[C@H]2CCCCC[C@@H]2O)CC1 ZINC000055073127 523955124 /nfs/dbraw/zinc/95/51/24/523955124.db2.gz PDLLACUNWDWSST-XHSDSOJGSA-N 1 0 268.445 2.344 10 0 CEAERO CC[C@H](C)N1CC[NH+](C[C@@H]2C[C@H](C)CCC2=O)CC1 ZINC000055071483 523956002 /nfs/dbraw/zinc/95/60/02/523956002.db2.gz OMEKNJLJVOZAJF-ILXRZTDVSA-N 1 0 266.429 2.408 10 0 CEAERO CO[C@H](c1nnc(CC[NH2+]C2CC2)o1)c1ccccc1 ZINC000050620491 523959953 /nfs/dbraw/zinc/95/99/53/523959953.db2.gz CXODHEYTVHONHD-AWEZNQCLSA-N 1 0 273.336 2.100 10 0 CEAERO CC[C@H](C)[NH+]1CCN(c2ncc([C@H](C)O)s2)CC1 ZINC000055076441 523962029 /nfs/dbraw/zinc/96/20/29/523962029.db2.gz ZKLVXTOFWXIDNY-QWRGUYRKSA-N 1 0 269.414 2.117 10 0 CEAERO COCCNc1ccc(C(N)=[NH2+])c(C(F)(F)F)c1 ZINC000053293034 523962408 /nfs/dbraw/zinc/96/24/08/523962408.db2.gz OUJXUFMTRHNENW-UHFFFAOYSA-N 1 0 261.247 2.048 10 0 CEAERO COc1ccc(CC[NH2+]Cc2[nH]cnc2C)cc1OC ZINC000054793515 523973372 /nfs/dbraw/zinc/97/33/72/523973372.db2.gz HVLRIJSRFDVSJY-UHFFFAOYSA-N 1 0 275.352 2.068 10 0 CEAERO CC[C@H](C)NC(=O)COc1cc(F)ccc1[C@@H](C)[NH2+]C ZINC000062746599 523974688 /nfs/dbraw/zinc/97/46/88/523974688.db2.gz FUMCZBXSXZKOFM-WDEREUQCSA-N 1 0 282.359 2.400 10 0 CEAERO CO[C@H]1CCC[C@H](OCc2cccc(C(N)=[NH2+])c2)C1 ZINC000070330424 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GQFDQRUWBZYUPL-XHDPSFHLSA-N 1 0 252.321 2.368 10 0 CEAERO C[C@H]([NH3+])[C@H](c1ccccn1)N1Cc2ccccc2C1 ZINC000050910294 524854931 /nfs/dbraw/zinc/85/49/31/524854931.db2.gz HMVOAVQGGVPJQI-BLLLJJGKSA-N 1 0 253.349 2.486 10 0 CEAERO C[C@H]([NH3+])[C@H](c1ccsc1)N1CCC[C@@H]1CCCO ZINC000052757514 524856089 /nfs/dbraw/zinc/85/60/89/524856089.db2.gz PPBOEZNGZUTKRD-IACUBPJLSA-N 1 0 268.426 2.373 10 0 CEAERO C[C@H]([NH3+])c1ccc(F)cc1OC[C@@H](O)C(F)(F)F ZINC000068877961 524864127 /nfs/dbraw/zinc/86/41/27/524864127.db2.gz VYDUFZKEEOZDLZ-QUBYGPBYSA-N 1 0 267.222 2.147 10 0 CEAERO C[C@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(=O)c1ccc2ncccc2c1 ZINC000061416032 524975448 /nfs/dbraw/zinc/97/54/48/524975448.db2.gz JMRNZIGBYSPAFV-PJODQICGSA-N 1 0 281.359 2.057 10 0 CEAERO C[C@@H]([NH3+])C(=O)NCc1ccnc(OC2CCC(C)CC2)c1 ZINC000157330602 524990738 /nfs/dbraw/zinc/99/07/38/524990738.db2.gz WGTWMNOIPVJBSJ-MBHSVXNSSA-N 1 0 291.395 2.003 10 0 CEAERO C[C@@H]([NH3+])CCC(=O)N[C@H](C)Cc1ccc(F)cc1 ZINC000070318023 524996687 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2.399 10 0 CEAERO C[C@H](NC(=O)c1cc[nH+]c(NN)c1)C1CCCCC1 ZINC000052345103 525252105 /nfs/dbraw/zinc/25/21/05/525252105.db2.gz CQEYWTVVHGXOAP-JTQLQIEISA-N 1 0 262.357 2.066 10 0 CEAERO Cc1ccc(NS(=O)(=O)C[C@@H]2CCCC[NH2+]2)c(F)c1 ZINC000049630922 525293039 /nfs/dbraw/zinc/29/30/39/525293039.db2.gz DKXXZYUTDMPMCY-NSHDSACASA-N 1 0 286.372 2.018 10 0 CEAERO COc1ccc([C@H](C[NH3+])N2CCC(OC)CC2)cc1C ZINC000050596619 525352024 /nfs/dbraw/zinc/35/20/24/525352024.db2.gz XISUKFWBOGFPQQ-HNNXBMFYSA-N 1 0 278.396 2.114 10 0 CEAERO Cc1cc(OCC[C@@H]2CCC[N@H+]2C)nc(Cl)n1 ZINC000052814026 525371059 /nfs/dbraw/zinc/37/10/59/525371059.db2.gz ZURDMDQMCRKQQK-JTQLQIEISA-N 1 0 255.749 2.302 10 0 CEAERO COc1ccc([C@H](O)[C@@H]([NH3+])c2ccccc2)cc1OC ZINC000054682349 525379132 /nfs/dbraw/zinc/37/91/32/525379132.db2.gz WTJNLWXCIYIEEW-HOTGVXAUSA-N 1 0 273.332 2.437 10 0 CEAERO C[C@@H]([NH2+]CCC(=O)OCc1ccccc1)[C@H]1CCCO1 ZINC000183146976 525428138 /nfs/dbraw/zinc/42/81/38/525428138.db2.gz FYLMHSRATWDOEH-UKRRQHHQSA-N 1 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VBVPFHVIQYQDDM-WDEREUQCSA-N 1 0 279.359 2.467 10 0 CEAERO COc1cccc(-c2nnc(C[NH2+]C(C)C)o2)c1OC ZINC000050615959 525731619 /nfs/dbraw/zinc/73/16/19/525731619.db2.gz PVTHNBGIQDKAAU-UHFFFAOYSA-N 1 0 277.324 2.252 10 0 CEAERO Cc1ccc([C@@H](C[NH3+])Sc2ncnc3[nH]cnc32)o1 ZINC000051036332 525755743 /nfs/dbraw/zinc/75/57/43/525755743.db2.gz IIXRETSRKYLJTG-SECBINFHSA-N 1 0 275.337 2.046 10 0 CEAERO COc1cccc(C(=O)N2[C@@H](C[NH3+])CCC[C@@H]2C)c1 ZINC000070152165 525810508 /nfs/dbraw/zinc/81/05/08/525810508.db2.gz LAKKATFQUOKPER-WCQYABFASA-N 1 0 262.353 2.037 10 0 CEAERO Cc1c(N)cc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1F ZINC000049551063 525818328 /nfs/dbraw/zinc/81/83/28/525818328.db2.gz HKXZFNAGCUJFPW-CYBMUJFWSA-N 1 0 295.402 2.422 10 0 CEAERO C[C@@]1(C2CC2)CN(CCOc2ccccc2)CC[NH2+]1 ZINC000068694032 525822762 /nfs/dbraw/zinc/82/27/62/525822762.db2.gz CYSQCZPVNWSGPX-INIZCTEOSA-N 1 0 260.381 2.139 10 0 CEAERO Cc1ccc(-c2nnc(CN3[C@H](C)C[NH2+]C[C@H]3C)o2)cc1 ZINC000069134774 525845320 /nfs/dbraw/zinc/84/53/20/525845320.db2.gz PPBNRBPBWBBPHV-CHWSQXEVSA-N 1 0 286.379 2.227 10 0 CEAERO C[C@@H](O)c1cccc(NC(=O)N[C@H](C)CC[NH+](C)C)c1 ZINC000049562066 525871096 /nfs/dbraw/zinc/87/10/96/525871096.db2.gz YISGKLABJBZIEH-VXGBXAGGSA-N 1 0 279.384 2.202 10 0 CEAERO C[C@@H](O)c1ccccc1NC(=O)C[NH2+]C1CCCC1 ZINC000049547363 525871638 /nfs/dbraw/zinc/87/16/38/525871638.db2.gz NDAWAIARIVLGOW-LLVKDONJSA-N 1 0 262.353 2.211 10 0 CEAERO Cc1ccc([C@H](CN)[N@@H+]2CCC[C@@H]2CCCO)s1 ZINC000052757338 525951027 /nfs/dbraw/zinc/95/10/27/525951027.db2.gz BZRPWHCQHVJGQZ-OLZOCXBDSA-N 1 0 268.426 2.293 10 0 CEAERO COc1cccc(CNC(=O)CC[C@@H]2CCCC[NH2+]2)c1 ZINC000050945353 525968334 /nfs/dbraw/zinc/96/83/34/525968334.db2.gz WITBUWSTLJOZAQ-AWEZNQCLSA-N 1 0 276.380 2.234 10 0 CEAERO Cc1ccc(=O)n(C[C@@H]([NH3+])c2cccc3ccccc32)n1 ZINC000061810453 525976318 /nfs/dbraw/zinc/97/63/18/525976318.db2.gz TXHWXRHOWDMHGM-MRXNPFEDSA-N 1 0 279.343 2.405 10 0 CEAERO COc1cccc(C[NH2+]C(C)(C)C)c1OC[C@H](C)O 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ZINC000163962418 526176145 /nfs/dbraw/zinc/17/61/45/526176145.db2.gz WFXZSXDDGGQSBK-SECBINFHSA-N 1 0 250.367 2.203 10 0 CEAERO Cc1nn(CCOC(C)C)c(C)c1C[NH2+]C1CC1 ZINC000049260939 526281971 /nfs/dbraw/zinc/28/19/71/526281971.db2.gz MHMKDKQBUAJSIU-UHFFFAOYSA-N 1 0 251.374 2.177 10 0 CEAERO Cc1nn(C[C@@H](O)C[NH+](CC(C)C)CC(C)C)c(C)c1N ZINC000069368240 526283714 /nfs/dbraw/zinc/28/37/14/526283714.db2.gz IJLSUFYRMPYQEG-HNNXBMFYSA-N 1 0 296.459 2.057 10 0 CEAERO Cc1nn([C@@H](C[NH3+])c2ccccn2)c(C)c1Br ZINC000050588803 526302889 /nfs/dbraw/zinc/30/28/89/526302889.db2.gz DKLNPEFOLFDEMY-NSHDSACASA-N 1 0 295.184 2.206 10 0 CEAERO O=C(CC1CC1)N[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC000049731444 526346587 /nfs/dbraw/zinc/34/65/87/526346587.db2.gz MQWZIBHLPBMWFK-ZDUSSCGKSA-N 1 0 250.386 2.358 10 0 CEAERO Fc1ccc(F)c(-c2nnc(CC[NH2+]C3CC3)o2)c1 ZINC000050620389 526348200 /nfs/dbraw/zinc/34/82/00/526348200.db2.gz JGUDTVYFNTXZLI-UHFFFAOYSA-N 1 0 265.263 2.309 10 0 CEAERO Cc1csc(N2CCC([C@H]3CCC[NH2+]3)CC2)n1 ZINC000063201454 526378125 /nfs/dbraw/zinc/37/81/25/526378125.db2.gz WIVJIKJZWBBSLD-GFCCVEGCSA-N 1 0 251.399 2.420 10 0 CEAERO Fc1ccccc1CCN1CC[C@H](C[NH2+]C2CC2)C1 ZINC000053012054 526408865 /nfs/dbraw/zinc/40/88/65/526408865.db2.gz AXWKQHKNPRPCJV-CYBMUJFWSA-N 1 0 262.372 2.442 10 0 CEAERO c1ccc(N2CCC[NH2+]CC2)c(OC2CCOCC2)c1 ZINC000069310921 526480882 /nfs/dbraw/zinc/48/08/82/526480882.db2.gz CRURIPNUBJTCHS-UHFFFAOYSA-N 1 0 276.380 2.044 10 0 CEAERO c1ccc2c(c1)C[C@H](c1nc(C[C@@H]3CCC[NH2+]C3)no1)O2 ZINC000063084576 526508355 /nfs/dbraw/zinc/50/83/55/526508355.db2.gz GDHXQIZXHMHQFL-SMDDNHRTSA-N 1 0 285.347 2.288 10 0 CEAERO c1ccc2c(c1)[nH]nc2-c1nc(C2CC[NH2+]CC2)no1 ZINC000062253251 526513060 /nfs/dbraw/zinc/51/30/60/526513060.db2.gz SYOMAKAZTPFBGT-UHFFFAOYSA-N 1 0 269.308 2.080 10 0 CEAERO c1cn(C2CCCC2)nc1CN1CC[NH2+]C[C@@H]1C1CC1 ZINC000068695912 526528891 /nfs/dbraw/zinc/52/88/91/526528891.db2.gz UEQAEDFDHXRUQC-MRXNPFEDSA-N 1 0 274.412 2.182 10 0 CEAERO O=C(CC[C@@H]1CCCC[NH2+]1)NCc1ccc(F)cc1 ZINC000050940040 526548502 /nfs/dbraw/zinc/54/85/02/526548502.db2.gz CQLYWOGHSKJRAA-AWEZNQCLSA-N 1 0 264.344 2.364 10 0 CEAERO O=C(CC[C@H]1CCCCO1)N1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000069388556 526566188 /nfs/dbraw/zinc/56/61/88/526566188.db2.gz BPHSFWQYBUVGHK-HZPDHXFCSA-N 1 0 294.439 2.326 10 0 CEAERO Cc1nc(C)c([C@@H](C)NC(=O)C[NH2+]C(C)(C)C)s1 ZINC000051376675 526742726 /nfs/dbraw/zinc/74/27/26/526742726.db2.gz FZWAVDFYHAVORL-SECBINFHSA-N 1 0 269.414 2.325 10 0 CEAERO O=C(C[N@H+]1CCC[C@H]1CCCO)N1CCCCCCC1 ZINC000052761950 526757903 /nfs/dbraw/zinc/75/79/03/526757903.db2.gz JGPYUGDYUPFWPK-HNNXBMFYSA-N 1 0 282.428 2.016 10 0 CEAERO Cc1nc(C)n(Cc2occc2C[NH2+]C(C)(C)C)n1 ZINC000052574357 526765908 /nfs/dbraw/zinc/76/59/08/526765908.db2.gz KFYDRVBFOWHEJM-UHFFFAOYSA-N 1 0 262.357 2.424 10 0 CEAERO Cc1oc(C[NH2+]C2CC2)cc1CN1CCOCC1(C)C ZINC000052546207 526775398 /nfs/dbraw/zinc/77/53/98/526775398.db2.gz IHYFQGQAJQPPQW-UHFFFAOYSA-N 1 0 278.396 2.451 10 0 CEAERO NC(=[NH2+])c1cc(COc2cccc(F)c2F)ccn1 ZINC000068762739 526819668 /nfs/dbraw/zinc/81/96/68/526819668.db2.gz CPMXWBUNFBRRDQ-UHFFFAOYSA-N 1 0 263.247 2.223 10 0 CEAERO Cc1nc(CN(C)Cc2ccoc2C[NH3+])cs1 ZINC000052505831 526842050 /nfs/dbraw/zinc/84/20/50/526842050.db2.gz PEXXFEHCICNIGG-UHFFFAOYSA-N 1 0 251.355 2.135 10 0 CEAERO O=C(c1ccsc1)N1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000051358405 526862777 /nfs/dbraw/zinc/86/27/77/526862777.db2.gz CUAJJEGGTKYBJL-NEPJUHHUSA-N 1 0 250.367 2.105 10 0 CEAERO Cc1sc2[nH]c(C[NH2+][C@H]3C[C@@H]3C)nc(=O)c2c1C ZINC000052287577 526886433 /nfs/dbraw/zinc/88/64/33/526886433.db2.gz ZAHASXQUKFFBAV-RCOVLWMOSA-N 1 0 263.366 2.099 10 0 CEAERO Cc1nc(CN[C@@H](CC(C)C)C[NH+](C)C)oc1C ZINC000049555505 526891163 /nfs/dbraw/zinc/89/11/63/526891163.db2.gz MZIDNDLQGQPNAD-ZDUSSCGKSA-N 1 0 253.390 2.357 10 0 CEAERO O=C(N[C@@H]1CC[NH2+]C2(CCCCC2)C1)[C@@H]1CCCCO1 ZINC000050970792 526932981 /nfs/dbraw/zinc/93/29/81/526932981.db2.gz KFUVZSLZIGZZIC-KGLIPLIRSA-N 1 0 280.412 2.127 10 0 CEAERO Cc1nc(Cl)cc(N[C@@H](C[NH+](C)C)C(C)C)n1 ZINC000052836742 526935125 /nfs/dbraw/zinc/93/51/25/526935125.db2.gz QFCLLRLMZDDKHK-JTQLQIEISA-N 1 0 256.781 2.437 10 0 CEAERO NC(=O)[C@@H]([NH3+])CCSc1ccc2ccccc2c1 ZINC000062600525 526954790 /nfs/dbraw/zinc/95/47/90/526954790.db2.gz GHAPXUQDNPVAMX-ZDUSSCGKSA-N 1 0 260.362 2.135 10 0 CEAERO Cc1nc(N2CCO[C@H](C)C2)sc1C[NH2+]C(C)C ZINC000054995706 526972576 /nfs/dbraw/zinc/97/25/76/526972576.db2.gz BGAALLYCAUZCJA-SNVBAGLBSA-N 1 0 269.414 2.175 10 0 CEAERO Cc1nc(NC2CC[NH2+]CC2)cc(-c2cccnc2)n1 ZINC000045950870 526996972 /nfs/dbraw/zinc/99/69/72/526996972.db2.gz GLOYXYANIJUVNP-UHFFFAOYSA-N 1 0 269.352 2.011 10 0 CEAERO NC(=O)c1ccc(Cl)cc1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000062785787 527053235 /nfs/dbraw/zinc/05/32/35/527053235.db2.gz PXYZWXNCBINYFC-ZACCUICWSA-N 1 0 279.771 2.134 10 0 CEAERO O=C(N[C@H]1CC[NH2+]C2(CCCCC2)C1)[C@H]1CCCCO1 ZINC000050970797 527054289 /nfs/dbraw/zinc/05/42/89/527054289.db2.gz KFUVZSLZIGZZIC-UONOGXRCSA-N 1 0 280.412 2.127 10 0 CEAERO NC(=O)c1ccc(OCC[C@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000062791663 527073070 /nfs/dbraw/zinc/07/30/70/527073070.db2.gz YOUAHCPRCFKUEG-LLVKDONJSA-N 1 0 282.771 2.350 10 0 CEAERO Cn1c2ccc([C@H]([NH3+])Cc3ccccc3)cc2oc1=O ZINC000051361889 527106753 /nfs/dbraw/zinc/10/67/53/527106753.db2.gz NJCWUPIXWBCSFK-CYBMUJFWSA-N 1 0 268.316 2.374 10 0 CEAERO Cn1c2ccc([C@H]([NH3+])CC[C@H]3CCCCO3)cc2oc1=O ZINC000069393564 527106968 /nfs/dbraw/zinc/10/69/68/527106968.db2.gz AJUZHWBUDLYOPX-CHWSQXEVSA-N 1 0 290.363 2.481 10 0 CEAERO NC(=S)c1ccc(N[C@H]2C[NH+]3CCC2CC3)c(Cl)c1 ZINC000062795155 527119825 /nfs/dbraw/zinc/11/98/25/527119825.db2.gz OWEHMQKNRXWPQB-ZDUSSCGKSA-N 1 0 295.839 2.480 10 0 CEAERO NCC1([NH+]2Cc3ccccc3C2)Cc2ccccc2C1 ZINC000050910538 527162862 /nfs/dbraw/zinc/16/28/62/527162862.db2.gz FLMUXBOMNKIUOM-UHFFFAOYSA-N 1 0 264.372 2.499 10 0 CEAERO Cc1nc2ccccc2n1CC[NH2+]C[C@H]1CCCO1 ZINC000049900611 527170299 /nfs/dbraw/zinc/17/02/99/527170299.db2.gz FGAZYQQDRVYNFZ-CYBMUJFWSA-N 1 0 259.353 2.113 10 0 CEAERO [NH3+]CCC[C@@H]1CCCN1C(=O)CC[C@@H]1CCCCO1 ZINC000069405739 527183648 /nfs/dbraw/zinc/18/36/48/527183648.db2.gz SRZGIKSEHDXVEH-KGLIPLIRSA-N 1 0 268.401 2.066 10 0 CEAERO O=C(Nc1ccc(Cl)nc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000049444076 527189492 /nfs/dbraw/zinc/18/94/92/527189492.db2.gz MZYQDSKEUSXASJ-NSHDSACASA-N 1 0 280.759 2.047 10 0 CEAERO [NH3+]CCc1ccc(CNC(=O)c2cc(F)ccc2F)cc1 ZINC000052898823 527196613 /nfs/dbraw/zinc/19/66/13/527196613.db2.gz KRTQBUGISGFVLP-UHFFFAOYSA-N 1 0 290.313 2.396 10 0 CEAERO [NH3+]C[C@H](c1nc2ccccc2n1CCO)c1ccccc1 ZINC000061608884 527229801 /nfs/dbraw/zinc/22/98/01/527229801.db2.gz TVFUFUZFBIGQRM-AWEZNQCLSA-N 1 0 281.359 2.119 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H](C(=O)NCCC2CCCC2)C1 ZINC000055148110 527235230 /nfs/dbraw/zinc/23/52/30/527235230.db2.gz KAWKJVIAVUTKHC-KBPBESRZSA-N 1 0 252.402 2.448 10 0 CEAERO [NH3+]Cc1c(-n2ncc3ccccc32)nc2ccccn21 ZINC000050526871 527244024 /nfs/dbraw/zinc/24/40/24/527244024.db2.gz MWOZVYQYVXFCLS-UHFFFAOYSA-N 1 0 263.304 2.132 10 0 CEAERO [NH3+]Cc1ccc(-c2nncn2-c2ccccc2)cc1 ZINC000054526765 527250950 /nfs/dbraw/zinc/25/09/50/527250950.db2.gz WZAKPXFYQVWQEZ-UHFFFAOYSA-N 1 0 250.305 2.393 10 0 CEAERO [NH3+]Cc1ccc(C(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)cc1 ZINC000186469645 527252165 /nfs/dbraw/zinc/25/21/65/527252165.db2.gz YMZSMEGDPBGKLB-KSZLIROESA-N 1 0 292.382 2.461 10 0 CEAERO [NH3+]Cc1cccc(CNC(=O)c2ccc3c(c2)CCO3)c1 ZINC000050891889 527259357 /nfs/dbraw/zinc/25/93/57/527259357.db2.gz CWKDXENOPFZMOK-UHFFFAOYSA-N 1 0 282.343 2.010 10 0 CEAERO [NH3+]Cc1cnn(Cc2ccc(F)c(Br)c2)c1 ZINC000054716764 527264368 /nfs/dbraw/zinc/26/43/68/527264368.db2.gz QQNQKLSTJGDPNB-UHFFFAOYSA-N 1 0 284.132 2.292 10 0 CEAERO [NH3+]Cc1nccn1Cc1cccc(Br)c1 ZINC000051004292 527267486 /nfs/dbraw/zinc/26/74/86/527267486.db2.gz YHQCOEATOHEAGB-UHFFFAOYSA-N 1 0 266.142 2.153 10 0 CEAERO NNc1ccc(Cl)c(CN2CCCCCC2)[nH+]1 ZINC000061638936 527280002 /nfs/dbraw/zinc/28/00/02/527280002.db2.gz IZUGGFYHXCJTJJ-UHFFFAOYSA-N 1 0 254.765 2.397 10 0 CEAERO Cn1cc([C@H]([NH3+])Cc2ccccc2Br)cn1 ZINC000055335259 527314353 /nfs/dbraw/zinc/31/43/53/527314353.db2.gz LGCOWGMNOAYFDK-GFCCVEGCSA-N 1 0 280.169 2.425 10 0 CEAERO [NH3+][C@@H](c1cccc(Br)c1)c1cnccn1 ZINC000069049172 527339592 /nfs/dbraw/zinc/33/95/92/527339592.db2.gz AJFDVOQMBUKQPS-NSHDSACASA-N 1 0 264.126 2.287 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@@H]1NC(=O)CCOc1ccccc1 ZINC000063211021 527341610 /nfs/dbraw/zinc/34/16/10/527341610.db2.gz GOZYZVGLBFQCNG-CABCVRRESA-N 1 0 276.380 2.232 10 0 CEAERO [NH3+][C@H](c1cc(Cl)ccc1Cl)[C@H]1COCCO1 ZINC000055299139 527391116 /nfs/dbraw/zinc/39/11/16/527391116.db2.gz RCNUUOVCVIFMTP-GHMZBOCLSA-N 1 0 262.136 2.409 10 0 CEAERO O=c1[nH]c(OCC[C@@H]2CCC[NH2+]C2)cc2ccccc21 ZINC000051918747 527441153 /nfs/dbraw/zinc/44/11/53/527441153.db2.gz YZTZUOIUZOZVPP-LBPRGKRZSA-N 1 0 272.348 2.297 10 0 CEAERO Nc1cc(Br)cnc1N[C@H]1CC[N@@H+]2CCC[C@H]12 ZINC000049564683 527441137 /nfs/dbraw/zinc/44/11/37/527441137.db2.gz BFEMTJLOULVRQK-WDEREUQCSA-N 1 0 297.200 2.075 10 0 CEAERO Cc1ncn(-c2c(C[NH2+]C(C)(C)C)c(C)nn2C)c1C ZINC000062738892 527460097 /nfs/dbraw/zinc/46/00/97/527460097.db2.gz JOMRYZDPVRRHLZ-UHFFFAOYSA-N 1 0 275.400 2.419 10 0 CEAERO O=c1c2ccsc2ncn1CCC[NH2+]C1CCCC1 ZINC000053522023 527468394 /nfs/dbraw/zinc/46/83/94/527468394.db2.gz HYBKEIYUSFCCOR-UHFFFAOYSA-N 1 0 277.393 2.380 10 0 CEAERO O[C@@H](C[NH2+]Cc1cc2c(s1)CCC2)C(F)(F)F ZINC000068879443 527653496 /nfs/dbraw/zinc/65/34/96/527653496.db2.gz SOOGJLYXWNBWLO-JTQLQIEISA-N 1 0 265.300 2.250 10 0 CEAERO CC[NH+](CC)CCSCc1nnc(C2CC2)n1C ZINC000176943251 528166050 /nfs/dbraw/zinc/16/60/50/528166050.db2.gz VAXUCXZTXVYZDL-UHFFFAOYSA-N 1 0 268.430 2.268 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C(C)C)C2CC2)C1 ZINC000175953735 529054496 /nfs/dbraw/zinc/05/44/96/529054496.db2.gz CVUZMSFUQBGBBQ-GFCCVEGCSA-N 1 0 253.390 2.053 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)c1nc(C2CC2)no1 ZINC000177700241 529099400 /nfs/dbraw/zinc/09/94/00/529099400.db2.gz PRQZYYBCNOEWDL-AAEUAGOBSA-N 1 0 278.400 2.424 10 0 CEAERO CC(C)C[NH2+]Cc1cncc(N2CCC[C@H](C)C2)n1 ZINC000091418391 535169523 /nfs/dbraw/zinc/16/95/23/535169523.db2.gz IIWGGGQXIRBQLZ-ZDUSSCGKSA-N 1 0 262.401 2.459 10 0 CEAERO CCC[NH2+][C@H]1CCN([C@@H](C)C(=O)N(C)C)c2ccccc21 ZINC000071378289 535191835 /nfs/dbraw/zinc/19/18/35/535191835.db2.gz MPPQURPYBFVUJR-ZFWWWQNUSA-N 1 0 289.423 2.414 10 0 CEAERO CC[NH2+]Cc1ccc(N2CCC[C@@H](C(F)(F)F)C2)nn1 ZINC000088437294 535478634 /nfs/dbraw/zinc/47/86/34/535478634.db2.gz LTGAGZQDZJQWCD-SNVBAGLBSA-N 1 0 288.317 2.365 10 0 CEAERO CC[C@](C[NH3+])(C1CC1)N1CCN(c2ccccc2F)CC1 ZINC000086120186 535867847 /nfs/dbraw/zinc/86/78/47/535867847.db2.gz IZPWQTIWWSLQKV-KRWDZBQOSA-N 1 0 291.414 2.465 10 0 CEAERO C[NH2+][C@@H]1CCC[C@@H]1CCN1c2ccccc2OCC1=O ZINC000093556639 536366959 /nfs/dbraw/zinc/36/69/59/536366959.db2.gz XXXKVJFZLDMWEF-CHWSQXEVSA-N 1 0 274.364 2.190 10 0 CEAERO C[NH2+][C@H]1CCC[C@@H]1CCN1c2ccccc2OCC1=O ZINC000093556640 536416042 /nfs/dbraw/zinc/41/60/42/536416042.db2.gz XXXKVJFZLDMWEF-OLZOCXBDSA-N 1 0 274.364 2.190 10 0 CEAERO COC1CCN(c2ccc(F)cc2[C@H](C)[NH3+])CC1 ZINC000037266453 536758319 /nfs/dbraw/zinc/75/83/19/536758319.db2.gz WRFQEXIAHMCGAQ-JTQLQIEISA-N 1 0 252.333 2.461 10 0 CEAERO COc1cc(N2CCCC[C@H]2C[NH2+]C(C)C)nc(C)n1 ZINC000090787305 536827116 /nfs/dbraw/zinc/82/71/16/536827116.db2.gz UQDQEZYNPXIQPC-ZDUSSCGKSA-N 1 0 278.400 2.151 10 0 CEAERO COc1cccc2c1N(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])CCC2 ZINC000089458028 536958301 /nfs/dbraw/zinc/95/83/01/536958301.db2.gz ISIJRPGNHFHZET-ZIAGYGMSSA-N 1 0 288.391 2.349 10 0 CEAERO COc1cccc(N2CC[NH+]([C@@H]3CCC[C@@H](O)C3)CC2)c1 ZINC000093731527 537124838 /nfs/dbraw/zinc/12/48/38/537124838.db2.gz XQBZWRHWFPYHFA-GDBMZVCRSA-N 1 0 290.407 2.121 10 0 CEAERO CC(C)C1CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000227430867 538836875 /nfs/dbraw/zinc/83/68/75/538836875.db2.gz YEHANQGDFQLTCL-UONOGXRCSA-N 1 0 252.402 2.256 10 0 CEAERO Cc1ccnc(CN2C[C@@H]3CCCC[N@H+]3C[C@H]2C)c1 ZINC000328170351 538839077 /nfs/dbraw/zinc/83/90/77/538839077.db2.gz KLSZEMQTQJUMOR-ZBFHGGJFSA-N 1 0 259.397 2.449 10 0 CEAERO Cc1cc(C(C)C)nc(N2CCC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000229924963 574443553 /nfs/dbraw/zinc/44/35/53/574443553.db2.gz HWUCXFAFVWQETQ-STQMWFEESA-N 1 0 262.401 2.472 10 0 CEAERO CC(C)n1cc([C@@H]2C[NH2+]C[C@@H]2C(=O)OC(C)(C)C)cn1 ZINC000757188944 574511811 /nfs/dbraw/zinc/51/18/11/574511811.db2.gz LFSCOIIDAAAEBY-STQMWFEESA-N 1 0 279.384 2.109 10 0 CEAERO CC1(C)C[NH2+][C@@]2(CCCSC2)O[C@@]12CCOC2 ZINC000757144966 574510286 /nfs/dbraw/zinc/51/02/86/574510286.db2.gz NZRDIZLSLLWUAT-OLZOCXBDSA-N 1 0 257.399 2.015 10 0 CEAERO CC1(C)C[NH2+][C@]2(CCCSC2)O[C@@]12CCOC2 ZINC000757144962 574510322 /nfs/dbraw/zinc/51/03/22/574510322.db2.gz NZRDIZLSLLWUAT-CHWSQXEVSA-N 1 0 257.399 2.015 10 0 CEAERO OCCN1CCC[C@H]([NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000384750888 574842252 /nfs/dbraw/zinc/84/22/52/574842252.db2.gz SCRHNVSFEKKKOR-AWEZNQCLSA-N 1 0 286.778 2.025 10 0 CEAERO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H]2CCC[C@@]34C[C@@H](CO3)[C@H]24)C1 ZINC000725272055 567924921 /nfs/dbraw/zinc/92/49/21/567924921.db2.gz YOJVJTBIOOUEDB-HNLJFRNMSA-N 1 0 293.407 2.219 10 0 CEAERO C[C@H](C(=O)N[C@]12CC[NH2+][C@H]1CCCC2)C(C)(C)C ZINC000725272014 567925109 /nfs/dbraw/zinc/92/51/09/567925109.db2.gz LRUTWNQZCCLHOA-TYNCELHUSA-N 1 0 252.402 2.460 10 0 CEAERO O=C(c1ccc(F)cc1)[C@H](O)C[NH2+]Cc1ccccc1 ZINC000669383351 570352868 /nfs/dbraw/zinc/35/28/68/570352868.db2.gz TYLCXHMKHOHZFI-OAHLLOKOSA-N 1 0 273.307 2.159 10 0 CEAERO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCOC1)N(C)C(=O)OC(C)(C)C ZINC000310008466 625380219 /nfs/dbraw/zinc/38/02/19/625380219.db2.gz XMJULFQLOMNOJS-FRRDWIJNSA-N 1 0 286.416 2.256 10 0 CEAERO C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000246953122 622896813 /nfs/dbraw/zinc/89/68/13/622896813.db2.gz KRQGFDFXBPFYHP-MJVIPROJSA-N 1 0 296.798 2.351 10 0 CEAERO C[C@H](Nc1ncnc2sccc21)[C@H]1CCC[NH2+]C1 ZINC000050163651 623324259 /nfs/dbraw/zinc/32/42/59/623324259.db2.gz FJITUXLIKNXFAB-UWVGGRQHSA-N 1 0 262.382 2.491 10 0 CEAERO Cc1cc(C(=O)N2CC[C@H]([NH3+])[C@H]2C)ccc1Cl ZINC000261546261 623367508 /nfs/dbraw/zinc/36/75/08/623367508.db2.gz GUBIHZMWZOCZRV-SKDRFNHKSA-N 1 0 252.745 2.210 10 0 CEAERO Cc1sc2ncnc(N3C[C@H](C)[C@H]([NH3+])C3)c2c1C ZINC000261551488 623372963 /nfs/dbraw/zinc/37/29/63/623372963.db2.gz VZHVBKSMGUAJHM-OIBJUYFYSA-N 1 0 262.382 2.092 10 0 CEAERO Oc1cccc(CN(CC2CC2)C[C@H]2CCC[NH2+]2)c1 ZINC000236631999 623405619 /nfs/dbraw/zinc/40/56/19/623405619.db2.gz COKIHQOZBOZKAF-OAHLLOKOSA-N 1 0 260.381 2.356 10 0 CEAERO C[NH2+][C@@H]1CCCN(c2ccc(Br)c(C)n2)C1 ZINC000234417133 624015042 /nfs/dbraw/zinc/01/50/42/624015042.db2.gz MXMAWJJONBPAQH-SNVBAGLBSA-N 1 0 284.201 2.341 10 0 CEAERO Cc1c(Br)cccc1C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000235655138 625693417 /nfs/dbraw/zinc/69/34/17/625693417.db2.gz AGKXEMFIALFLTR-QPUJVOFHSA-N 1 0 297.196 2.177 10 0 CEAERO C[C@@H]([NH3+])Cc1nc(Cc2cccc(Cl)c2F)no1 ZINC000162103161 625060818 /nfs/dbraw/zinc/06/08/18/625060818.db2.gz CTVCHXDGFGBNTN-SSDOTTSWSA-N 1 0 269.707 2.343 10 0 CEAERO Cc1ccnc(N2CC[C@](C)(C[NH3+])C2)c1Br ZINC000235927203 625794341 /nfs/dbraw/zinc/79/43/41/625794341.db2.gz CLXINPQXVGHGAC-GFCCVEGCSA-N 1 0 284.201 2.328 10 0 CEAERO Cc1ccnc(N2CC[C@@](C)(C[NH3+])C2)c1Br ZINC000235926635 625794839 /nfs/dbraw/zinc/79/48/39/625794839.db2.gz CLXINPQXVGHGAC-LBPRGKRZSA-N 1 0 284.201 2.328 10 0 CEAERO CCc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)s1 ZINC000392992447 625951178 /nfs/dbraw/zinc/95/11/78/625951178.db2.gz DSBVMYGTEMEMQP-BXKDBHETSA-N 1 0 252.383 2.067 10 0 CEAERO COC1CC([NH2+][C@H](C)CC(=O)Nc2ccccc2)C1 ZINC000311419723 627660672 /nfs/dbraw/zinc/66/06/72/627660672.db2.gz MFKLUFPWHKLAQN-LMWSTFAQSA-N 1 0 262.353 2.171 10 0 CEAERO OCCN1CCC[C@H]([NH2+]Cc2ccc(F)c(Cl)c2)C1 ZINC000394970662 627937606 /nfs/dbraw/zinc/93/76/06/627937606.db2.gz RSVNZYOHFJYLSK-LBPRGKRZSA-N 1 0 286.778 2.025 10 0 CEAERO c1cc2c(s1)CCO[C@@H]2C[NH2+][C@@H]1CCSC1 ZINC000309647114 628186616 /nfs/dbraw/zinc/18/66/16/628186616.db2.gz WHWGGXIXIZGZOS-MWLCHTKSSA-N 1 0 255.408 2.457 10 0 CEAERO CO[C@H](C[NH3+])Cc1nc(C(C2CCC2)C2CCC2)no1 ZINC000312225286 628192319 /nfs/dbraw/zinc/19/23/19/628192319.db2.gz CCGWYFPJUFGSLP-LBPRGKRZSA-N 1 0 279.384 2.270 10 0 CEAERO C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCOC1)N(C)C(=O)OC(C)(C)C ZINC000310008474 628241559 /nfs/dbraw/zinc/24/15/59/628241559.db2.gz XMJULFQLOMNOJS-RWMBFGLXSA-N 1 0 286.416 2.256 10 0 CEAERO CCOC[C@H](C)OC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000190769216 628341523 /nfs/dbraw/zinc/34/15/23/628341523.db2.gz MTDUAQQCIWTOJJ-UONOGXRCSA-N 1 0 271.401 2.465 10 0 CEAERO CC1CCC([N@H+](C)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)CC1 ZINC000123890125 628475456 /nfs/dbraw/zinc/47/54/56/628475456.db2.gz NMKDCHPZVOBDQS-WUCCLRPBSA-N 1 0 290.407 2.406 10 0 CEAERO C[C@@H]([NH2+]CCc1ccccc1)C(=O)NCc1ccco1 ZINC000020303668 628523623 /nfs/dbraw/zinc/52/36/23/628523623.db2.gz UYMPDXBMFFVWFM-CYBMUJFWSA-N 1 0 272.348 2.117 10 0 CEAERO CN(C)C[C@H]([NH2+][C@@H]1COCC1(C)C)c1ccccc1 ZINC000313089816 628579379 /nfs/dbraw/zinc/57/93/79/628579379.db2.gz SNDQBVWOVPZLOE-LSDHHAIUSA-N 1 0 262.397 2.304 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccc(Br)nc1 ZINC000225813472 628895919 /nfs/dbraw/zinc/89/59/19/628895919.db2.gz VGFZEKGGTADAEY-VIFPVBQESA-N 1 0 286.173 2.156 10 0 CEAERO COC(=O)[C@H]1C[N@H+](CCOc2cccc(Cl)c2)C[C@H]1C ZINC000095015402 628946343 /nfs/dbraw/zinc/94/63/43/628946343.db2.gz CYKOAZLAXMOBGO-RISCZKNCSA-N 1 0 297.782 2.460 10 0 CEAERO CCOC(=O)c1ccc(NCC2([NH3+])CCCCC2)nc1 ZINC000261628816 628952357 /nfs/dbraw/zinc/95/23/57/628952357.db2.gz AYFUDERQPLLAOR-UHFFFAOYSA-N 1 0 277.368 2.332 10 0 CEAERO COC[C@@]1(CNc2ncccc2C(F)(F)F)CCC[NH2+]1 ZINC000261628954 628952384 /nfs/dbraw/zinc/95/23/84/628952384.db2.gz BAQHTJQFWGJICX-LBPRGKRZSA-N 1 0 289.301 2.281 10 0 CEAERO CCN(c1ccc(Br)c(C)n1)[C@H]1CC[NH2+]C1 ZINC000233483841 628954129 /nfs/dbraw/zinc/95/41/29/628954129.db2.gz FZKDRADHHWNEOU-JTQLQIEISA-N 1 0 284.201 2.341 10 0 CEAERO [NH3+]CCCCCCNc1ccc(C(F)(F)F)nn1 ZINC000236164753 628974625 /nfs/dbraw/zinc/97/46/25/628974625.db2.gz RAHAJKRURYOOFV-UHFFFAOYSA-N 1 0 262.279 2.426 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@H](O)c1cccc(Cl)c1 ZINC000261688320 628989799 /nfs/dbraw/zinc/98/97/99/628989799.db2.gz HKQBKSYGZMAZML-GDLCADMTSA-N 1 0 296.798 2.007 10 0 CEAERO C[C@H]([NH3+])C1CCN(C(=O)[C@@H](C)Cc2ccccc2)CC1 ZINC000178867301 629228055 /nfs/dbraw/zinc/22/80/55/629228055.db2.gz FYUNLXKGTXWYED-KBPBESRZSA-N 1 0 274.408 2.451 10 0 CEAERO CC[NH2+]Cc1ccccc1NC(=O)[C@H](C)COC ZINC000237073274 629255199 /nfs/dbraw/zinc/25/51/99/629255199.db2.gz LUTMYDFLPWVKAC-LLVKDONJSA-N 1 0 250.342 2.017 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 ZINC000261834735 629264872 /nfs/dbraw/zinc/26/48/72/629264872.db2.gz VSHZSZOYEQUBLP-WDEREUQCSA-N 1 0 284.787 2.140 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000261847557 629274493 /nfs/dbraw/zinc/27/44/93/629274493.db2.gz WXWWFMLQMZYXRM-LBPRGKRZSA-N 1 0 278.396 2.087 10 0 CEAERO [NH3+]C[C@H]1CCCN1Cc1ccc(OCC2CC2)cc1 ZINC000261925578 629326738 /nfs/dbraw/zinc/32/67/38/629326738.db2.gz KYZPNIYOYVLMCD-OAHLLOKOSA-N 1 0 260.381 2.399 10 0 CEAERO CC[NH2+]CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000054267313 631050685 /nfs/dbraw/zinc/05/06/85/631050685.db2.gz AWUTXJOYDPKFKJ-UHFFFAOYSA-N 1 0 296.314 2.002 10 0 CEAERO Fc1ccccc1Cc1noc(C[C@@H]2CCC[NH2+]C2)n1 ZINC000054301540 631143205 /nfs/dbraw/zinc/14/32/05/631143205.db2.gz YUVWSNKCNKLXDN-NSHDSACASA-N 1 0 275.327 2.342 10 0 CEAERO COC(=O)Nc1ccc(NC(=O)C[C@H]2CCC[NH2+]C2)cc1 ZINC000054307406 631153926 /nfs/dbraw/zinc/15/39/26/631153926.db2.gz YEPQZFSQYZCMKU-LLVKDONJSA-N 1 0 291.351 2.193 10 0 CEAERO Cc1ccc([C@H](C)[NH2+][C@H](C)C[C@H]2CCC(=O)N2)o1 ZINC000310876850 631491731 /nfs/dbraw/zinc/49/17/31/631491731.db2.gz UUWMDOQQSGXPDO-ADEWGFFLSA-N 1 0 250.342 2.296 10 0 CEAERO CCOC(=O)CCc1nc(C2([NH3+])CCC(C)(C)CC2)no1 ZINC000757181348 631829192 /nfs/dbraw/zinc/82/91/92/631829192.db2.gz BCOLDMAVSHOVFG-UHFFFAOYSA-N 1 0 295.383 2.320 10 0 CEAERO COc1ccc([C@@H]2C[NH2+]C[C@@H]2C(=O)OC(C)(C)C)cc1F ZINC000757183034 631830136 /nfs/dbraw/zinc/83/01/36/631830136.db2.gz DEMGWNCMSFILOM-RYUDHWBXSA-N 1 0 295.354 2.479 10 0 CEAERO CCN(CC)c1ccc([C@H]2C[NH2+]C[C@H]2C(=O)OC)cc1 ZINC000757183462 631830175 /nfs/dbraw/zinc/83/01/75/631830175.db2.gz DSWRWYOSGLWDRO-HUUCEWRRSA-N 1 0 276.380 2.009 10 0 CEAERO CC(C)[NH+]1CCC(Nc2nc3cccnc3[nH]2)CC1 ZINC000757570533 631913748 /nfs/dbraw/zinc/91/37/48/631913748.db2.gz XHDFCOLFPYOLGX-UHFFFAOYSA-N 1 0 259.357 2.243 10 0 CEAERO C[C@@H]1CCC[C@@H](NC(=O)C2CCC([NH3+])CC2)[C@H]1C ZINC000251728423 634970196 /nfs/dbraw/zinc/97/01/96/634970196.db2.gz IUUJEXWNLIRETH-XPXVYLNCSA-N 1 0 252.402 2.445 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1c1nc(-c2cscn2)no1 ZINC000150260476 638075289 /nfs/dbraw/zinc/07/52/89/638075289.db2.gz UYWYLMGWEOOFQO-IUCAKERBSA-N 1 0 264.354 2.426 10 0 CEAERO CCc1cnccc1-c1noc([C@@H]2CC[C@@H]([NH3+])C2)n1 ZINC000167493083 639520023 /nfs/dbraw/zinc/52/00/23/639520023.db2.gz QOQHWDOOFKVBBM-GHMZBOCLSA-N 1 0 258.325 2.289 10 0 CEAERO CCC(CC)(CNC(=O)[C@@H]1CCC[C@H]1C[NH3+])SC ZINC000227431035 639591494 /nfs/dbraw/zinc/59/14/94/639591494.db2.gz JPXSMBZKBMEVOL-NWDGAFQWSA-N 1 0 272.458 2.399 10 0 CEAERO O[C@H](C[N@@H+]1CCCOCC1)c1cccc(C(F)(F)F)c1 ZINC000059950758 639596907 /nfs/dbraw/zinc/59/69/07/639596907.db2.gz SFXIFNHKXJKJRY-CYBMUJFWSA-N 1 0 289.297 2.461 10 0 CEAERO COC(=O)[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)C[C@@H]1C ZINC000227826554 639606492 /nfs/dbraw/zinc/60/64/92/639606492.db2.gz LHGSATFNSPLDMW-SWLSCSKDSA-N 1 0 284.359 2.476 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1NS(=O)(=O)/C=C\c1ccccc1 ZINC000228131943 639619585 /nfs/dbraw/zinc/61/95/85/639619585.db2.gz NFBJQRDIFWTOCL-PBARLCFESA-N 1 0 294.420 2.094 10 0 CEAERO Cc1oc2c(c1C(N)=O)C[N@@H+](CCc1ccccc1)CC2 ZINC000169757519 639634810 /nfs/dbraw/zinc/63/48/10/639634810.db2.gz VALYRICHTFYMNS-UHFFFAOYSA-N 1 0 284.359 2.288 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1Nc1nccn2nc(C(F)(F)F)cc12 ZINC000229608849 639710306 /nfs/dbraw/zinc/71/03/06/639710306.db2.gz IHWREWFGABOGCC-BDAKNGLRSA-N 1 0 299.300 2.301 10 0 CEAERO C/C=C(/C)CN1C[C@H]([NH3+])[C@@H](c2cccc(OC)c2)C1 ZINC000229821618 639721585 /nfs/dbraw/zinc/72/15/85/639721585.db2.gz COEAGCMLXDBALL-TWFSAEQXSA-N 1 0 260.381 2.388 10 0 CEAERO Cc1cccc(OCCc2nc([C@H]3CCC[NH2+]C3)no2)c1 ZINC000062257576 639742287 /nfs/dbraw/zinc/74/22/87/639742287.db2.gz BOPAVLXUTOPMIT-ZDUSSCGKSA-N 1 0 287.363 2.467 10 0 CEAERO Cc1c(C[NH2+]Cc2ccc(O)c(Cl)c2)cnn1C ZINC000230156988 639743775 /nfs/dbraw/zinc/74/37/75/639743775.db2.gz QAPILZXCYXCIRX-UHFFFAOYSA-N 1 0 265.744 2.377 10 0 CEAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1occc1Br ZINC000230702393 639780876 /nfs/dbraw/zinc/78/08/76/639780876.db2.gz OCTYFAMNPSSHIH-WPRPVWTQSA-N 1 0 274.158 2.293 10 0 CEAERO CC(C)Nc1ncnc2c1ncn2C[N@@H+]1CCC[C@H]1C ZINC000173523746 639863350 /nfs/dbraw/zinc/86/33/50/639863350.db2.gz XIXAPRPVDQZZIQ-LLVKDONJSA-N 1 0 274.372 2.088 10 0 CEAERO Cc1nn(C)c(C[NH2+][C@@H](C)[C@@H]2CCCO2)c1Cl ZINC000089231854 640195215 /nfs/dbraw/zinc/19/52/15/640195215.db2.gz BGFGNQCDTHBIFQ-KWQFWETISA-N 1 0 257.765 2.039 10 0 CEAERO CCOCCN1CC[N@H+](CCc2cccs2)C[C@@H]1C ZINC000105835591 640937340 /nfs/dbraw/zinc/93/73/40/640937340.db2.gz HTHMANFFIRDZPC-AWEZNQCLSA-N 1 0 282.453 2.333 10 0 CEAERO CCC1CCC(NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000232894527 640938044 /nfs/dbraw/zinc/93/80/44/640938044.db2.gz AZNJREFQOPBULI-AHPWVWPOSA-N 1 0 252.402 2.460 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(C)(Cl)Cl ZINC000181547499 641568216 /nfs/dbraw/zinc/56/82/16/641568216.db2.gz IGFUGBXZNPFUGS-VIFPVBQESA-N 1 0 267.200 2.123 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)C(C)(Cl)Cl)[C@@H](C)C1 ZINC000181777939 641590685 /nfs/dbraw/zinc/59/06/85/641590685.db2.gz QTGDJIBECJRYBQ-IUCAKERBSA-N 1 0 267.200 2.025 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]2CN(c3nccc(C(F)(F)F)n3)C[C@@H]21 ZINC000230133697 642564928 /nfs/dbraw/zinc/56/49/28/642564928.db2.gz RJDYTSOYSVLJPX-KXUCPTDWSA-N 1 0 286.301 2.059 10 0 CEAERO C[C@H](NC(=O)C[C@@H]([NH3+])C1CC1)c1ccc(F)cc1F ZINC000123660778 649095529 /nfs/dbraw/zinc/09/55/29/649095529.db2.gz WHWFZQHJEOUGEV-ISVAXAHUSA-N 1 0 268.307 2.269 10 0 CEAERO CCCC[C@@H](C[NH3+])NS(=O)(=O)/C=C/c1ccccc1 ZINC000130478991 652267562 /nfs/dbraw/zinc/26/75/62/652267562.db2.gz UFZCSTKLPAUGFA-VNDWYCCKSA-N 1 0 282.409 2.094 10 0 CEAERO C[NH2+]CCc1noc(-c2ccc(OC(F)(F)F)cc2)n1 ZINC000131423805 652424309 /nfs/dbraw/zinc/42/43/09/652424309.db2.gz LCKWPVVRPCINFM-UHFFFAOYSA-N 1 0 287.241 2.397 10 0 CEAERO CC(C)(C)OC(=O)N1CCC(C2(C[NH3+])CC2)CC1 ZINC000214547747 652426601 /nfs/dbraw/zinc/42/66/01/652426601.db2.gz ZZQLMXSUBISUOK-UHFFFAOYSA-N 1 0 254.374 2.372 10 0 CEAERO C1CC[C@H](c2noc([C@H]3CCC[NH2+]C3)n2)SC1 ZINC000131957512 652482300 /nfs/dbraw/zinc/48/23/00/652482300.db2.gz IODBUBAIEJIBAO-VHSXEESVSA-N 1 0 253.371 2.495 10 0 CEAERO Cc1ccc(NC(=O)NC[C@H]2CC[NH2+]C2)cc1Cl ZINC000133711017 652706880 /nfs/dbraw/zinc/70/68/80/652706880.db2.gz RWZPXSJWPPVWIY-JTQLQIEISA-N 1 0 267.760 2.379 10 0 CEAERO CC(=O)Nc1ccc(NC(=O)C[C@@H]([NH3+])C(C)C)cc1C ZINC000136323074 653066080 /nfs/dbraw/zinc/06/60/80/653066080.db2.gz ZNVQGYOYYCPAMN-CYBMUJFWSA-N 1 0 277.368 2.265 10 0 CEAERO CCC[C@H]([NH2+]CC)[C@@H](CC)S(=O)(=O)C1CCOCC1 ZINC000081989864 177914627 /nfs/dbraw/zinc/91/46/27/177914627.db2.gz JBLUZLPNAJFLCB-UONOGXRCSA-N 1 0 291.457 2.137 10 0 CEAERO COCCC[S@@](=O)Cc1cc([C@H](C)[NH3+])ccc1OC ZINC000081998180 177916093 /nfs/dbraw/zinc/91/60/93/177916093.db2.gz GSNATAVNONALMM-WLRWDXFRSA-N 1 0 285.409 2.000 10 0 CEAERO CC(C)(C)Oc1ccccc1CNC(=O)[C@H]1CCC[NH2+]1 ZINC000082258081 177930837 /nfs/dbraw/zinc/93/08/37/177930837.db2.gz ZEOGDOFQNVNWEJ-CYBMUJFWSA-N 1 0 276.380 2.232 10 0 CEAERO O=C(N1CC[NH2+]CC1)C1(c2ccc(Cl)cc2)CCC1 ZINC000082264379 177936656 /nfs/dbraw/zinc/93/66/56/177936656.db2.gz HRWKSWDVIAXOEH-UHFFFAOYSA-N 1 0 278.783 2.194 10 0 CEAERO COc1ccc(C[C@@H](C[NH3+])c2cc[nH]c2)cc1OC ZINC000082296407 177950927 /nfs/dbraw/zinc/95/09/27/177950927.db2.gz ICFKUZZMLWPSRY-ZDUSSCGKSA-N 1 0 260.337 2.317 10 0 CEAERO Cc1nc2ccccc2nc1N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000251288087 282088824 /nfs/dbraw/zinc/08/88/24/282088824.db2.gz YKEPOXYLMRNLLR-GHMZBOCLSA-N 1 0 256.353 2.125 10 0 CEAERO O[C@@]1(Cc2ccccc2Br)CCC[NH2+]C1 ZINC000082462232 178038377 /nfs/dbraw/zinc/03/83/77/178038377.db2.gz XTMCWRAZKPWALV-GFCCVEGCSA-N 1 0 270.170 2.106 10 0 CEAERO C[C@H]([NH2+]C1COC1)c1ccc(Br)cc1 ZINC000082488380 178057398 /nfs/dbraw/zinc/05/73/98/178057398.db2.gz WPGMUMDQSUZECI-QMMMGPOBSA-N 1 0 256.143 2.499 10 0 CEAERO [NH3+]Cc1cn(-c2cccc(Br)c2)cn1 ZINC000082555817 178092302 /nfs/dbraw/zinc/09/23/02/178092302.db2.gz CASINUBSAQUQAU-UHFFFAOYSA-N 1 0 252.115 2.094 10 0 CEAERO [NH3+][C@H](Cc1ccccc1)[C@@H](O)c1cc(O)cc(F)c1 ZINC000095787203 185027888 /nfs/dbraw/zinc/02/78/88/185027888.db2.gz TXIKOZLIPPFWSH-CABCVRRESA-N 1 0 261.296 2.135 10 0 CEAERO [NH3+]Cc1cc(F)c(Sc2nncs2)c(F)c1 ZINC000082616016 178126649 /nfs/dbraw/zinc/12/66/49/178126649.db2.gz VTDHXHAUDILXFJ-UHFFFAOYSA-N 1 0 259.306 2.426 10 0 CEAERO COc1ccc(NCCC[NH3+])cc1Br ZINC000082620893 178131658 /nfs/dbraw/zinc/13/16/58/178131658.db2.gz ZMUOVOLHWVDKAB-UHFFFAOYSA-N 1 0 259.147 2.218 10 0 CEAERO C[N@@H+]1CCCC[C@H]1CNc1ncc(Br)cn1 ZINC000082662047 178150097 /nfs/dbraw/zinc/15/00/97/178150097.db2.gz WRKVHLORMXXQMC-JTQLQIEISA-N 1 0 285.189 2.135 10 0 CEAERO [NH3+][C@H]1CCCCC[C@H]1Nc1ncc(Br)cn1 ZINC000082662444 178150936 /nfs/dbraw/zinc/15/09/36/178150936.db2.gz PSLRFTODLMXLOR-VHSXEESVSA-N 1 0 285.189 2.311 10 0 CEAERO Brc1cnc(OCC[C@H]2CCC[NH2+]C2)nc1 ZINC000082662739 178151361 /nfs/dbraw/zinc/15/13/61/178151361.db2.gz MPRLQKSWYKPTOE-SECBINFHSA-N 1 0 286.173 2.008 10 0 CEAERO Cc1nc2cc(Br)ccn2c1[C@@H](C)[NH3+] ZINC000082694918 178190758 /nfs/dbraw/zinc/19/07/58/178190758.db2.gz XRAJDPQXRPVONF-ZCFIWIBFSA-N 1 0 254.131 2.425 10 0 CEAERO C[C@H](NCc1ccn(Cc2ccccc2)n1)[C@@H]1CCC[NH2+]C1 ZINC000567640450 299070600 /nfs/dbraw/zinc/07/06/00/299070600.db2.gz JPJSXWWJKGTOEG-DOTOQJQBSA-N 1 0 298.434 2.409 10 0 CEAERO CC(C)[C@@H]([NH3+])c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000034939126 361798238 /nfs/dbraw/zinc/79/82/38/361798238.db2.gz ZKPKPDLVBOURLE-CYBMUJFWSA-N 1 0 261.325 2.380 10 0 CEAERO C[NH+]1CCN(C[C@@H](c2cccc(Cl)c2)C(C)(C)O)CC1 ZINC000034442258 361790489 /nfs/dbraw/zinc/79/04/89/361790489.db2.gz YNJYCRAPAGGYCT-HNNXBMFYSA-N 1 0 296.842 2.442 10 0 CEAERO CC[NH2+]CC[S@](=O)c1ccccc1Br ZINC000082747319 178269429 /nfs/dbraw/zinc/26/94/29/178269429.db2.gz ZVMLVFYSSLBYHM-CQSZACIVSA-N 1 0 276.199 2.166 10 0 CEAERO C[NH+](C)C[C@@H]1CN(C(=O)CC2CCC(C)(C)CC2)CCO1 ZINC000152085634 282122935 /nfs/dbraw/zinc/12/29/35/282122935.db2.gz OVPRNPFAXFJRFX-OAHLLOKOSA-N 1 0 296.455 2.382 10 0 CEAERO C[C@@H](O)CC[NH2+]Cc1ccc(O)c(Br)c1 ZINC000082992855 178333121 /nfs/dbraw/zinc/33/31/21/178333121.db2.gz NCMUIXLRNKHPEB-MRVPVSSYSA-N 1 0 274.158 2.015 10 0 CEAERO COc1ccc([C@H](O)[C@H](C)C[NH3+])cc1Br ZINC000083021704 178334651 /nfs/dbraw/zinc/33/46/51/178334651.db2.gz FZIHEALCTWJEPU-RDDDGLTNSA-N 1 0 274.158 2.086 10 0 CEAERO CC(C)[NH2+][C@H](CO)CSc1ncccc1Cl ZINC000082905460 178329584 /nfs/dbraw/zinc/32/95/84/178329584.db2.gz CHZXHWOEOFGXMA-SECBINFHSA-N 1 0 260.790 2.186 10 0 CEAERO COCC[N@@H+](Cc1ccc(C)o1)C[C@H](O)COC(C)(C)C ZINC000036097581 361827636 /nfs/dbraw/zinc/82/76/36/361827636.db2.gz RXPMXYZXCSDJPS-AWEZNQCLSA-N 1 0 299.411 2.212 10 0 CEAERO C[C@H](CO)C[NH2+]CCOc1ccc(Br)cc1 ZINC000083386297 178394520 /nfs/dbraw/zinc/39/45/20/178394520.db2.gz UQTTWSLPZCTEEH-JTQLQIEISA-N 1 0 288.185 2.046 10 0 CEAERO Cc1csc(CCNC2=[NH+]C[C@H](C)CS2)n1 ZINC000083387041 178395073 /nfs/dbraw/zinc/39/50/73/178395073.db2.gz NUCVYSOYAVVZMX-QMMMGPOBSA-N 1 0 255.412 2.323 10 0 CEAERO COC(=O)[C@@](C)(N)C[C@H](C)[N@H+](CCC(C)C)C1CC1 ZINC000096818563 185115265 /nfs/dbraw/zinc/11/52/65/185115265.db2.gz IDEPSBGUHKDBEJ-WFASDCNBSA-N 1 0 270.417 2.166 10 0 CEAERO CC[C@](C)(O)C[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000162442909 529378434 /nfs/dbraw/zinc/37/84/34/529378434.db2.gz UAZWJSFQEZFTHD-DOMZBBRYSA-N 1 0 274.368 2.079 10 0 CEAERO CC[C@H]([NH3+])C(=O)Cc1ccc(Br)cc1 ZINC000096957614 185141970 /nfs/dbraw/zinc/14/19/70/185141970.db2.gz QQTNORUJVJRCIO-JTQLQIEISA-N 1 0 256.143 2.298 10 0 CEAERO COc1cccc(C[NH2+][C@H]2CCC[C@H](O)C2)c1OC ZINC000037165277 361902692 /nfs/dbraw/zinc/90/26/92/361902692.db2.gz RBLVBTPEBPJFOW-STQMWFEESA-N 1 0 265.353 2.097 10 0 CEAERO CC(C)(C)OC(=O)N1Cc2cscc2[C@H]([NH3+])C1 ZINC000096958631 185142888 /nfs/dbraw/zinc/14/28/88/185142888.db2.gz RAXAKPKQGDSFOB-SNVBAGLBSA-N 1 0 254.355 2.499 10 0 CEAERO Fc1cc(Cl)ccc1-n1cncc1C1C[NH2+]C1 ZINC000097023268 185153630 /nfs/dbraw/zinc/15/36/30/185153630.db2.gz NUIZNRZVSKAVEC-UHFFFAOYSA-N 1 0 251.692 2.352 10 0 CEAERO C[C@H]([NH2+]C[C@H](O)c1cc(F)ccc1F)[C@@H]1CCCO1 ZINC000037889943 361959143 /nfs/dbraw/zinc/95/91/43/361959143.db2.gz SULPWUCLMQMXSY-HERUPUMHSA-N 1 0 271.307 2.155 10 0 CEAERO O=c1c(C[NH2+]C[C@@H]2CCCO2)cc2cccc3c2n1CCC3 ZINC000039287256 361987348 /nfs/dbraw/zinc/98/73/48/361987348.db2.gz YJNDESHQFLBZSC-INIZCTEOSA-N 1 0 298.386 2.216 10 0 CEAERO CCC(CC)C[NH+]1CCC([N@H+](CC)CC(=O)[O-])CC1 ZINC000263501670 282162413 /nfs/dbraw/zinc/16/24/13/282162413.db2.gz KYRDIINGFJZQDW-UHFFFAOYSA-N 1 0 270.417 2.294 10 0 CEAERO CCO[C@H]1C[C@H]([N@H+](C)CC(=O)N2CCCC2)C12CCCC2 ZINC000125653270 187195211 /nfs/dbraw/zinc/19/52/11/187195211.db2.gz BQGHMCYDEOMTGT-GJZGRUSLSA-N 1 0 294.439 2.278 10 0 CEAERO CC[C@H]([NH3+])C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000037006734 529442191 /nfs/dbraw/zinc/44/21/91/529442191.db2.gz LYEMPQPBCKQEEW-KWQFWETISA-N 1 0 285.185 2.364 10 0 CEAERO C[C@@H]1CN(C(=O)c2cscc2C(F)(F)F)C[C@H]1[NH3+] ZINC000621663981 349654851 /nfs/dbraw/zinc/65/48/51/349654851.db2.gz HLCKXBAIHSTWRX-HZGVNTEJSA-N 1 0 278.299 2.186 10 0 CEAERO c1cn(C[C@@H]2CCC[N@@H+]2Cc2cnn3ccccc23)cn1 ZINC000188403646 539178824 /nfs/dbraw/zinc/17/88/24/539178824.db2.gz JDNJJIQDPDZXNM-HNNXBMFYSA-N 1 0 281.363 2.195 10 0 CEAERO C[C@@H](C[NH3+])[C@@H](O)c1cscc1Br ZINC000307569515 539169415 /nfs/dbraw/zinc/16/94/15/539169415.db2.gz XLMYUCDVZKNSDH-YLWLKBPMSA-N 1 0 250.161 2.139 10 0 CEAERO COC(=O)C[C@H](C[NH3+])c1cc(Br)cs1 ZINC000723605943 539174794 /nfs/dbraw/zinc/17/47/94/539174794.db2.gz FESNTZSMIITRCB-ZCFIWIBFSA-N 1 0 278.171 2.116 10 0 CEAERO CC1(C)C[C@H](O)CC[N@H+](C[C@@H]2CCC[C@H](O)C2)C1 ZINC000395384455 539185137 /nfs/dbraw/zinc/18/51/37/539185137.db2.gz LEEVWVSSJNHIIQ-HZSPNIEDSA-N 1 0 255.402 2.020 10 0 CEAERO Cc1cc(C(=O)OC(C)(C)C)cc2c1OCC[NH2+]C2 ZINC000725259552 539206030 /nfs/dbraw/zinc/20/60/30/539206030.db2.gz GLGLWBSSSSQPBU-UHFFFAOYSA-N 1 0 263.337 2.432 10 0 CEAERO CC(C)(C)OC(=O)N1CCOc2cccc(C[NH3+])c2C1 ZINC000725260872 539208270 /nfs/dbraw/zinc/20/82/70/539208270.db2.gz YSASPZOKLBLVSS-UHFFFAOYSA-N 1 0 278.352 2.275 10 0 CEAERO O=C(CC1CC1)N1CC[C@@H]2CC[C@@]21[C@@H]1CCC[NH2+]C1 ZINC000725263416 539212225 /nfs/dbraw/zinc/21/22/25/539212225.db2.gz CVSDMEIKLYBZHR-LZWOXQAQSA-N 1 0 262.397 2.167 10 0 CEAERO CC(C)CNC(=O)N1CC[C@@H]2CC[C@]21[C@@H]1CCC[NH2+]C1 ZINC000725263545 539212343 /nfs/dbraw/zinc/21/23/43/539212343.db2.gz OQELDYWLMQCJNU-SQWLQELKSA-N 1 0 279.428 2.206 10 0 CEAERO CC(C)(C)NC(=O)N1CC[C@@H]2CC[C@]21[C@@H]1CCC[NH2+]C1 ZINC000725263684 539212355 /nfs/dbraw/zinc/21/23/55/539212355.db2.gz ZNAPZNGYOWAWEM-WOSRLPQWSA-N 1 0 279.428 2.349 10 0 CEAERO CCCC(=O)N1CC[C@@H]2CC[C@]21[C@H]1CCC[NH2+]C1 ZINC000725263548 539212372 /nfs/dbraw/zinc/21/23/72/539212372.db2.gz OUGMPJZKDLMURK-KCQAQPDRSA-N 1 0 250.386 2.167 10 0 CEAERO C[C@@H](c1cnn(CC2CCC2)c1)[N@@H+]1CCC[C@H](CO)C1 ZINC000725264285 539212752 /nfs/dbraw/zinc/21/27/52/539212752.db2.gz GZHCVUONMPDRKC-ZFWWWQNUSA-N 1 0 277.412 2.449 10 0 CEAERO CCC(C)(C)NC(=O)N[C@@]12CC[NH2+][C@H]1CCCC2 ZINC000725264410 539212939 /nfs/dbraw/zinc/21/29/39/539212939.db2.gz LZANPJCWALWSEX-FZMZJTMJSA-N 1 0 253.390 2.149 10 0 CEAERO C[NH+](C)[C@H]1CCCN(c2ccc(N)c(OC(F)F)c2)C1 ZINC000725265161 539213080 /nfs/dbraw/zinc/21/30/80/539213080.db2.gz KLDRUVUVVPTXGX-NSHDSACASA-N 1 0 285.338 2.401 10 0 CEAERO Cn1cc(C[NH2+][C@@H]2CCC[C@@H](O)C2)c(C(C)(C)C)n1 ZINC000126530955 539231705 /nfs/dbraw/zinc/23/17/05/539231705.db2.gz QXNATAFKSNWQSI-CHWSQXEVSA-N 1 0 265.401 2.111 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2nc3c(s2)CCCC3)C1 ZINC000170874777 282199121 /nfs/dbraw/zinc/19/91/21/282199121.db2.gz QSLFKOHYLGVUBD-SNVBAGLBSA-N 1 0 294.424 2.190 10 0 CEAERO C[C@@H]1C[C@H](C)C[N@@H+](CCN2C[C@@H]3CC[C@H](O)C[C@H]3C2)C1 ZINC000398790579 539262683 /nfs/dbraw/zinc/26/26/83/539262683.db2.gz NJXLUHIIEZLWLN-QEOTZNIISA-N 1 0 280.456 2.057 10 0 CEAERO CN(C)C[C@H]([NH2+]CC1=CCCOC1)c1ccccc1 ZINC000126298996 187231046 /nfs/dbraw/zinc/23/10/46/187231046.db2.gz QQDFQGCBOHMTTG-INIZCTEOSA-N 1 0 260.381 2.226 10 0 CEAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCO[C@H]1CCCCO1 ZINC000248755796 282217053 /nfs/dbraw/zinc/21/70/53/282217053.db2.gz HZAQUTQAPXFUQX-CVEARBPZSA-N 1 0 293.411 2.199 10 0 CEAERO Cc1nc(C)c(CN2C[C@H]3CCCC[N@H+]3C[C@H]2C)o1 ZINC000311863334 539286767 /nfs/dbraw/zinc/28/67/67/539286767.db2.gz SHIORJJYCXYFSW-BXUZGUMPSA-N 1 0 263.385 2.350 10 0 CEAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCS2(=O)=O)CC(C)(C)C1 ZINC000126955495 365727571 /nfs/dbraw/zinc/72/75/71/365727571.db2.gz CAAUGOLSCKASQT-AGIUHOORSA-N 1 0 273.442 2.368 10 0 CEAERO C[C@H]([NH3+])[C@H](c1ccccc1Br)N(C)C ZINC000043090897 362134668 /nfs/dbraw/zinc/13/46/68/362134668.db2.gz DOOMHBYHWTWAAE-GZMMTYOYSA-N 1 0 257.175 2.399 10 0 CEAERO CN(C)[C@H](C[NH2+]CC1CCOCC1)c1ccccc1 ZINC000052175530 282247517 /nfs/dbraw/zinc/24/75/17/282247517.db2.gz MSQKRRCBGPKWEE-MRXNPFEDSA-N 1 0 262.397 2.306 10 0 CEAERO C[C@H]([NH3+])[C@@H]1CCN(c2cccc(C(F)(F)F)n2)C1 ZINC000127303845 365740946 /nfs/dbraw/zinc/74/09/46/365740946.db2.gz HVFZODYFLDPDDM-DTWKUNHWSA-N 1 0 259.275 2.274 10 0 CEAERO C[C@@H](NC(=O)C1([NH3+])CCOCC1)c1ccc(Cl)cc1 ZINC000127870188 187337904 /nfs/dbraw/zinc/33/79/04/187337904.db2.gz YYAOJKVQGSGZTD-SNVBAGLBSA-N 1 0 282.771 2.025 10 0 CEAERO Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](CO)CC(C)C)c(C)c1 ZINC000040777100 343438271 /nfs/dbraw/zinc/43/82/71/343438271.db2.gz JRCXELCBFCULCU-CVEARBPZSA-N 1 0 295.423 2.040 10 0 CEAERO CC[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)c1nccn1C ZINC000245976540 539313534 /nfs/dbraw/zinc/31/35/34/539313534.db2.gz AFVINJHRZMLYFO-FRRDWIJNSA-N 1 0 251.374 2.012 10 0 CEAERO CCOc1cc(C[NH2+][C@H]2CCC[C@@H](O)C2)ccc1O ZINC000037164486 343426139 /nfs/dbraw/zinc/42/61/39/343426139.db2.gz NPDJTSFPNOECIB-QWHCGFSZSA-N 1 0 265.353 2.184 10 0 CEAERO O[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3ccnc3)cc2)C1 ZINC000037321164 343426747 /nfs/dbraw/zinc/42/67/47/343426747.db2.gz IMQVRBTZYANTST-ZBFHGGJFSA-N 1 0 271.364 2.265 10 0 CEAERO C[C@H](NC(=O)C[NH2+]C1CC1)c1ccccc1Br ZINC000037390219 343427388 /nfs/dbraw/zinc/42/73/88/343427388.db2.gz OVXLOEOONAHSNG-VIFPVBQESA-N 1 0 297.196 2.378 10 0 CEAERO [NH3+]C1CCC(C(=O)N2CCC[C@@H]2c2ccncc2)CC1 ZINC000037626405 343430107 /nfs/dbraw/zinc/43/01/07/343430107.db2.gz DRFKZDYPQXKVDC-YMAMQOFZSA-N 1 0 273.380 2.263 10 0 CEAERO COC(=O)c1cc(C[NH2+]CC[C@@H]2CCCO2)oc1C ZINC000037988854 343432547 /nfs/dbraw/zinc/43/25/47/343432547.db2.gz FSKBRDAMZKXPJN-NSHDSACASA-N 1 0 267.325 2.033 10 0 CEAERO CSCC[C@H]([NH3+])C(=O)N[C@H](C)c1cc(F)ccc1F ZINC000040462429 343437755 /nfs/dbraw/zinc/43/77/55/343437755.db2.gz OSBBTSOVHDAHGB-PELKAZGASA-N 1 0 288.363 2.222 10 0 CEAERO C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CCCC2(C)C)C1 ZINC000334214914 282266157 /nfs/dbraw/zinc/26/61/57/282266157.db2.gz TZFLMAAWTMZCQK-NEPJUHHUSA-N 1 0 253.390 2.053 10 0 CEAERO Cc1cccc(OCCN(C)C(=O)C[C@H]2CCC[NH2+]C2)c1 ZINC000054308060 343587255 /nfs/dbraw/zinc/58/72/55/343587255.db2.gz HHZOBAIHOIAAEV-OAHLLOKOSA-N 1 0 290.407 2.222 10 0 CEAERO C[NH+](C)CCNC(=O)c1cc2cn(C3CC3)cc2s1 ZINC000065285637 343697020 /nfs/dbraw/zinc/69/70/20/343697020.db2.gz MHCJBJOKQHHCFG-UHFFFAOYSA-N 1 0 277.393 2.329 10 0 CEAERO OCC[C@@H]1CC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000128036026 187347365 /nfs/dbraw/zinc/34/73/65/187347365.db2.gz ACUQQBQXDKNGCQ-ZDUSSCGKSA-N 1 0 256.349 2.439 10 0 CEAERO Cc1nn2c(CN3C[C@H]([NH3+])[C@@H](C)C3)c(C(C)C)nc2s1 ZINC000262068719 282305951 /nfs/dbraw/zinc/30/59/51/282305951.db2.gz RVLZEOIQGNSRHG-ONGXEEELSA-N 1 0 293.440 2.002 10 0 CEAERO [NH3+][C@@H]1CCCN(c2nc(C(F)(F)F)cs2)C1 ZINC000075732837 343865263 /nfs/dbraw/zinc/86/52/63/343865263.db2.gz LWFNQGXIHFMZAZ-ZCFIWIBFSA-N 1 0 251.277 2.089 10 0 CEAERO CCC[N@@H+]1CCCN(c2ccc(SC)nn2)CC1 ZINC000078251360 343943903 /nfs/dbraw/zinc/94/39/03/343943903.db2.gz BETBANMGCQRMGU-UHFFFAOYSA-N 1 0 266.414 2.121 10 0 CEAERO c1cn(CCOC2CCC3(CC[NH2+]CC3)CC2)cn1 ZINC000113934836 344278101 /nfs/dbraw/zinc/27/81/01/344278101.db2.gz WZENLXJYARERHW-UHFFFAOYSA-N 1 0 263.385 2.212 10 0 CEAERO COC(=O)NCCc1ccc(Cl)c(C[NH2+]C2CC2)c1 ZINC000117001329 344287893 /nfs/dbraw/zinc/28/78/93/344287893.db2.gz UADKACHDTSDEBD-UHFFFAOYSA-N 1 0 282.771 2.491 10 0 CEAERO c1cn(CCC[NH2+]Cc2ccnc3ccccc23)nn1 ZINC000126533623 344325160 /nfs/dbraw/zinc/32/51/60/344325160.db2.gz RWBLCCBZTOXUOV-UHFFFAOYSA-N 1 0 267.336 2.006 10 0 CEAERO CO[C@@](C)(C[NH3+])c1ccc(Br)cc1F ZINC000132315823 344363322 /nfs/dbraw/zinc/36/33/22/344363322.db2.gz KDCBHAJLEDWUFF-JTQLQIEISA-N 1 0 262.122 2.409 10 0 CEAERO CO[C@](C)(C[NH3+])c1ccc(Br)cc1F ZINC000132315699 344363393 /nfs/dbraw/zinc/36/33/93/344363393.db2.gz KDCBHAJLEDWUFF-SNVBAGLBSA-N 1 0 262.122 2.409 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc(Cl)cn1 ZINC000134685556 344376381 /nfs/dbraw/zinc/37/63/81/344376381.db2.gz CRXARSXYZXTYMO-GFCCVEGCSA-N 1 0 283.803 2.441 10 0 CEAERO C[C@@H]1CCCC[C@H]1CNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000136181013 344384057 /nfs/dbraw/zinc/38/40/57/344384057.db2.gz JORZQWCGKWWBOZ-IPYPFGDCSA-N 1 0 252.402 2.461 10 0 CEAERO Fc1ccc(O[C@@H]2CC[NH2+]C2)cc1Br ZINC000137599824 344387781 /nfs/dbraw/zinc/38/77/81/344387781.db2.gz KBRAGJQQOHKVLV-MRVPVSSYSA-N 1 0 260.106 2.329 10 0 CEAERO N[C@@H]1CNc2ccc(Br)cc2C1(F)F ZINC000137477343 344387859 /nfs/dbraw/zinc/38/78/59/344387859.db2.gz JJBFXHRYYDNURP-MRVPVSSYSA-N 1 0 263.085 2.294 10 0 CEAERO [NH3+][C@@H]1c2ccccc2CN(Cc2ccccc2)C1=O ZINC000138952195 344391556 /nfs/dbraw/zinc/39/15/56/344391556.db2.gz UQOGCKLGAPOGGZ-OAHLLOKOSA-N 1 0 252.317 2.229 10 0 CEAERO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C1CC1 ZINC000144551560 344408025 /nfs/dbraw/zinc/40/80/25/344408025.db2.gz ZDMJGGAGLPQNCB-HUUCEWRRSA-N 1 0 259.349 2.318 10 0 CEAERO Cc1cc(C)cc(COC(=O)N2CCC([NH3+])CC2)c1 ZINC000150314391 344416997 /nfs/dbraw/zinc/41/69/97/344416997.db2.gz VPGXGJKHUWZLKW-UHFFFAOYSA-N 1 0 262.353 2.363 10 0 CEAERO CCC[NH+]1CCC(CNC(=O)N[C@@H](C)C(C)C)CC1 ZINC000157655276 344447903 /nfs/dbraw/zinc/44/79/03/344447903.db2.gz XCZYDTZAQXCNTK-ZDUSSCGKSA-N 1 0 269.433 2.452 10 0 CEAERO Cc1csc([C@@H]2CNC(=[NH2+])N2Cc2ccccc2)n1 ZINC000163007338 344469598 /nfs/dbraw/zinc/46/95/98/344469598.db2.gz XHAGORJSCZZWNO-LBPRGKRZSA-N 1 0 272.377 2.323 10 0 CEAERO CC(C)(C)[NH2+]CCNC(=O)OCc1ccccc1 ZINC000167612444 344478954 /nfs/dbraw/zinc/47/89/54/344478954.db2.gz VINWFYKJHHIKIX-UHFFFAOYSA-N 1 0 250.342 2.301 10 0 CEAERO NC(=[NH2+])c1ccc(NC2CC2)c(Br)c1 ZINC000169207187 344481302 /nfs/dbraw/zinc/48/13/02/344481302.db2.gz HMLXWUPECXXDNZ-UHFFFAOYSA-N 1 0 254.131 2.307 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)NCc2cc3ccccc3o2)C1 ZINC000170831501 344491186 /nfs/dbraw/zinc/49/11/86/344491186.db2.gz TURHQITVRWRONJ-ZDUSSCGKSA-N 1 0 287.363 2.278 10 0 CEAERO CSc1ccc(C)c(C(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000170868074 344491697 /nfs/dbraw/zinc/49/16/97/344491697.db2.gz ISRADXURIXEPGW-GFCCVEGCSA-N 1 0 278.421 2.493 10 0 CEAERO C[C@@H]1CC[C@@H](C[NH2+]C[C@@H](O)COCc2ccco2)C1 ZINC000230419009 344572264 /nfs/dbraw/zinc/57/22/64/344572264.db2.gz ATGQSKUGROXLEW-MGPQQGTHSA-N 1 0 267.369 2.183 10 0 CEAERO OCCC[C@@H]1CCC[N@@H+]1C[C@@H]1COc2ccccc2O1 ZINC000216366309 344534843 /nfs/dbraw/zinc/53/48/43/344534843.db2.gz RQPSJRBLJIJTLV-UONOGXRCSA-N 1 0 277.364 2.063 10 0 CEAERO C[N@@H+]1CCC[C@@H]1CNc1nc(Br)cs1 ZINC000226095886 344548625 /nfs/dbraw/zinc/54/86/25/344548625.db2.gz UOTRPEWFMXZTEZ-SSDOTTSWSA-N 1 0 276.203 2.412 10 0 CEAERO CN(C(=O)CC1CCSCC1)[C@H]1CCC[NH2+]CC1 ZINC000226456348 344550380 /nfs/dbraw/zinc/55/03/80/344550380.db2.gz KQYKNZWWBLHSGP-ZDUSSCGKSA-N 1 0 270.442 2.120 10 0 CEAERO Fc1cc(F)c(NC2C[NH2+]C2)cc1Br ZINC000228180298 344559501 /nfs/dbraw/zinc/55/95/01/344559501.db2.gz AGHFQURYFUYVNG-UHFFFAOYSA-N 1 0 263.085 2.111 10 0 CEAERO C[C@H](c1cc(Br)cs1)N1CC([NH3+])C1 ZINC000229862238 344568821 /nfs/dbraw/zinc/56/88/21/344568821.db2.gz ALRUHBQAAJOBHF-ZCFIWIBFSA-N 1 0 261.188 2.215 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)N1CCc2ccc(F)cc21 ZINC000236189385 344594680 /nfs/dbraw/zinc/59/46/80/344594680.db2.gz HFQZFCCEBHLWSH-LLVKDONJSA-N 1 0 262.328 2.105 10 0 CEAERO NNc1[nH+]cnc(OCc2ccccc2)c1Br ZINC000236297387 344595079 /nfs/dbraw/zinc/59/50/79/344595079.db2.gz VKXIIPBXQADECL-UHFFFAOYSA-N 1 0 295.140 2.104 10 0 CEAERO CC(C)Oc1cncc(N[C@H](C[NH3+])C2CCCC2)n1 ZINC000232693999 344578775 /nfs/dbraw/zinc/57/87/75/344578775.db2.gz UKJQKOUSFYXDAH-GFCCVEGCSA-N 1 0 264.373 2.193 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](O)c1ccc(F)cc1Br ZINC000233904584 344582194 /nfs/dbraw/zinc/58/21/94/344582194.db2.gz JDCYQCUYYMQSLU-ZJUUUORDSA-N 1 0 262.122 2.359 10 0 CEAERO CCS[C@@H]1CCC[C@@H]1NC(=O)[C@H]([NH3+])CC(C)C ZINC000233977817 344582887 /nfs/dbraw/zinc/58/28/87/344582887.db2.gz GTLPKTUGYFKHRR-GRYCIOLGSA-N 1 0 258.431 2.150 10 0 CEAERO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CCC[C@@H]1CCCO ZINC000052762440 362474190 /nfs/dbraw/zinc/47/41/90/362474190.db2.gz WFQSEOWDCFKFLY-RBSFLKMASA-N 1 0 282.428 2.013 10 0 CEAERO CC[N@H+](C)Cc1ccc(N)c(I)c1 ZINC000306192272 344712307 /nfs/dbraw/zinc/71/23/07/344712307.db2.gz JGPIVMBYMQAPFQ-UHFFFAOYSA-N 1 0 290.148 2.325 10 0 CEAERO C[C@H]([NH3+])[C@H](C)Nc1ccc(I)cc1 ZINC000306231133 344712593 /nfs/dbraw/zinc/71/25/93/344712593.db2.gz BTEPXRRSJUDCBY-YUMQZZPRSA-N 1 0 290.148 2.439 10 0 CEAERO Nc1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000306674062 344716249 /nfs/dbraw/zinc/71/62/49/344716249.db2.gz PHLSYXOKJPEHDO-HNNXBMFYSA-N 1 0 268.364 2.350 10 0 CEAERO Fc1ccc(C2=[NH+]CCN2)c(Br)c1F ZINC000306697978 344716608 /nfs/dbraw/zinc/71/66/08/344716608.db2.gz CEDGWAVCHKXZJE-UHFFFAOYSA-N 1 0 261.069 2.077 10 0 CEAERO [NH3+][C@@H]1C[C@@H]1c1c(Br)cncc1Br ZINC000306740284 344716736 /nfs/dbraw/zinc/71/67/36/344716736.db2.gz BUHKEUZHGOPCDE-MHTLYPKNSA-N 1 0 291.974 2.421 10 0 CEAERO C[C@@H]1[C@@H](Nc2nccnc2N)CC[N@@H+]1Cc1ccccc1 ZINC000306729224 344716982 /nfs/dbraw/zinc/71/69/82/344716982.db2.gz OHDMMADNXJBAQU-OCCSQVGLSA-N 1 0 283.379 2.134 10 0 CEAERO CC(C)(C)[C@H](O)C[NH2+]CCOCc1ccccc1 ZINC000324597082 344754232 /nfs/dbraw/zinc/75/42/32/344754232.db2.gz HFTRXHPZJILXPN-CQSZACIVSA-N 1 0 251.370 2.200 10 0 CEAERO C[N@H+](C[C@@H]1CCc2nccn2C1)C[C@@](C)(O)c1ccccc1 ZINC000328628022 344756558 /nfs/dbraw/zinc/75/65/58/344756558.db2.gz GUKVZQXAUGKBDP-MAUKXSAKSA-N 1 0 299.418 2.285 10 0 CEAERO COc1ccc(Br)c(COCCC[NH3+])c1 ZINC000083709353 178721843 /nfs/dbraw/zinc/72/18/43/178721843.db2.gz FKBBLHIGQHWSSB-UHFFFAOYSA-N 1 0 274.158 2.323 10 0 CEAERO [NH3+]C[C@H](Nc1cccc(Br)c1)[C@H]1CCOC1 ZINC000083765308 178743848 /nfs/dbraw/zinc/74/38/48/178743848.db2.gz JKUNYBNXQDSBBR-CABZTGNLSA-N 1 0 285.185 2.225 10 0 CEAERO C[C@H](O)[C@H](C)[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000386851906 344832408 /nfs/dbraw/zinc/83/24/08/344832408.db2.gz CZLDEKXATTUFML-MKBNYLNASA-N 1 0 259.349 2.232 10 0 CEAERO CCOC(=O)CN(Cc1ccccc1)C[C@@H]1CCC[N@@H+]1C ZINC000387384072 344833010 /nfs/dbraw/zinc/83/30/10/344833010.db2.gz JMKIIRHIAXPQIP-INIZCTEOSA-N 1 0 290.407 2.146 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)NC[C@@H]1CC2CCC1CC2 ZINC000400134146 344860686 /nfs/dbraw/zinc/86/06/86/344860686.db2.gz WLDASAJTVRHNPV-JYVUQVBGSA-N 1 0 264.413 2.319 10 0 CEAERO CC[C@H](C)S[C@@H]1CC2(CC[C@@H]1[NH2+]C)OCCO2 ZINC000083953021 178766938 /nfs/dbraw/zinc/76/69/38/178766938.db2.gz OWPFIHJIMZHVPU-SDDRHHMPSA-N 1 0 259.415 2.402 10 0 CEAERO CCC[NH2+][C@H](C)C[S@@](=O)c1ccc(OC)cc1 ZINC000084002713 178769789 /nfs/dbraw/zinc/76/97/89/178769789.db2.gz CVACTVBXSRQIMX-DIFFPNOSSA-N 1 0 255.383 2.191 10 0 CEAERO CCC[C@H](C[S@@](=O)c1cc(F)ccc1F)[NH2+]C ZINC000084037855 178776714 /nfs/dbraw/zinc/77/67/14/178776714.db2.gz AEXGWVRRXZVISC-QGHHPUGFSA-N 1 0 261.337 2.461 10 0 CEAERO COc1ccc([C@@H]([NH3+])C[S@](=O)CC(C)C)cc1 ZINC000084033446 178774198 /nfs/dbraw/zinc/77/41/98/178774198.db2.gz RFHDDDDODKPIRJ-GUYCJALGSA-N 1 0 255.383 2.100 10 0 CEAERO O=C(Nc1ccccc1)c1ccc(OC2C[NH2+]C2)cc1 ZINC000584591920 344960488 /nfs/dbraw/zinc/96/04/88/344960488.db2.gz BAUPQNUFJFCCDW-UHFFFAOYSA-N 1 0 268.316 2.290 10 0 CEAERO CCC[C@@](C[NH3+])(c1cccc(OC)c1)[C@H](C)CO ZINC000584597054 344961461 /nfs/dbraw/zinc/96/14/61/344961461.db2.gz WCMHOXUXPRULGH-DOMZBBRYSA-N 1 0 251.370 2.320 10 0 CEAERO CCOc1ccc([C@H](O)[C@@H](C)[N@@H+]2CCCN(C)CC2)cc1 ZINC000584617100 344965819 /nfs/dbraw/zinc/96/58/19/344965819.db2.gz IAUOVIZMDZJGOS-RHSMWYFYSA-N 1 0 292.423 2.145 10 0 CEAERO C[N@@H+]1C[C@@H](O)C[C@H](C(O)(c2ccccc2)c2ccccc2)C1 ZINC000584631781 344970026 /nfs/dbraw/zinc/97/00/26/344970026.db2.gz VYIWRCQCGWIWKO-ROUUACIJSA-N 1 0 297.398 2.235 10 0 CEAERO C[N@H+](CCOC(=O)c1cccnc1)Cc1ccccc1 ZINC000584634055 344970668 /nfs/dbraw/zinc/97/06/68/344970668.db2.gz PIOYYNUFWNVYBY-UHFFFAOYSA-N 1 0 270.332 2.370 10 0 CEAERO OCCc1cc[n+](CCc2c[nH]c3ccccc23)cc1 ZINC000584657565 344974274 /nfs/dbraw/zinc/97/42/74/344974274.db2.gz FEXWKBHUHQKINH-UHFFFAOYSA-N 1 0 267.352 2.233 10 0 CEAERO CCNc1c(N)c[nH+]c2ccc(OC(F)F)cc21 ZINC000584882715 344996205 /nfs/dbraw/zinc/99/62/05/344996205.db2.gz NCLRTVIDJMPCSO-UHFFFAOYSA-N 1 0 253.252 2.272 10 0 CEAERO CNc1c(N)c[nH+]c2c(C)cc(Br)cc12 ZINC000584882738 344996544 /nfs/dbraw/zinc/99/65/44/344996544.db2.gz OJVUEYPHKFKJQA-UHFFFAOYSA-N 1 0 266.142 2.352 10 0 CEAERO CO[C@H]1CCC[C@@H](OC(=O)CC2([NH3+])CCCC2)C1 ZINC000084148370 178803942 /nfs/dbraw/zinc/80/39/42/178803942.db2.gz UFFFVFBPVDEDMP-NWDGAFQWSA-N 1 0 255.358 2.149 10 0 CEAERO [NH3+]C1(CC(=O)NC[C@H]2Cc3ccccc32)CCCCC1 ZINC000084168711 178813317 /nfs/dbraw/zinc/81/33/17/178813317.db2.gz VJFCBZQKDMYFRA-CQSZACIVSA-N 1 0 272.392 2.494 10 0 CEAERO COc1cc(NC(=O)C[C@@H]2CCC[NH2+]C2)cc(OC)c1 ZINC000054290113 362521842 /nfs/dbraw/zinc/52/18/42/362521842.db2.gz ICEKPODOHURIJI-NSHDSACASA-N 1 0 278.352 2.032 10 0 CEAERO C[C@@H]1CCCC[C@H]1CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054292123 362523300 /nfs/dbraw/zinc/52/33/00/362523300.db2.gz HSAFKODWMLXJRT-RDBSUJKOSA-N 1 0 252.402 2.319 10 0 CEAERO CCc1ccccc1CN1CC[C@H]([NH2+]C(C)C)C1=O ZINC000084208677 178825705 /nfs/dbraw/zinc/82/57/05/178825705.db2.gz HYYDCAGGNHJCCR-HNNXBMFYSA-N 1 0 260.381 2.348 10 0 CEAERO Cc1cccc([C@H]([NH3+])C[C@H]2CCS(=O)(=O)C2)c1C ZINC000097074406 185522228 /nfs/dbraw/zinc/52/22/28/185522228.db2.gz NPCQUVJXGQVWNP-TZMCWYRMSA-N 1 0 267.394 2.128 10 0 CEAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)C[C@H]2COCCN2)o1 ZINC000229194687 539453378 /nfs/dbraw/zinc/45/33/78/539453378.db2.gz FSTFFAXBTCQPES-DRZSPHRISA-N 1 0 252.358 2.006 10 0 CEAERO [NH3+]C[C@H]1CCCCC[C@H]1S(=O)(=O)c1cccs1 ZINC000084269092 178835669 /nfs/dbraw/zinc/83/56/69/178835669.db2.gz WLBXTJNKGJILBB-GHMZBOCLSA-N 1 0 273.423 2.429 10 0 CEAERO CC[NH2+][C@@H](C)C[C@H](C)S(=O)(=O)c1cccc(OC)c1 ZINC000084356675 178867843 /nfs/dbraw/zinc/86/78/43/178867843.db2.gz NQQVCOSCVSPYHA-RYUDHWBXSA-N 1 0 285.409 2.246 10 0 CEAERO CN[C@](C)(C[C@@H](C)[N@H+](C)CC1CCCC1)C(=O)OC ZINC000084358750 178868263 /nfs/dbraw/zinc/86/82/63/178868263.db2.gz HJWQGFLPKICCDL-IUODEOHRSA-N 1 0 270.417 2.038 10 0 CEAERO C[C@H](NC[C@@H](O)C[NH+]1CCCCC1)c1cc(F)cc(F)c1 ZINC000151301880 232217742 /nfs/dbraw/zinc/21/77/42/232217742.db2.gz ZKNMZHAUMRCGCO-BLLLJJGKSA-N 1 0 298.377 2.462 10 0 CEAERO CC[NH2+][C@H](c1cc(CC)nn1C)C1CCOCC1 ZINC000097181020 185556945 /nfs/dbraw/zinc/55/69/45/185556945.db2.gz IPZFCGYANWRDIE-AWEZNQCLSA-N 1 0 251.374 2.060 10 0 CEAERO Nc1cc(C[C@@H]([NH3+])CSc2ccccc2F)ccn1 ZINC000097265978 185574609 /nfs/dbraw/zinc/57/46/09/185574609.db2.gz YJIMXRZYBSSULU-LLVKDONJSA-N 1 0 277.368 2.465 10 0 CEAERO C[NH2+][C@H](Cc1cc(C)nn1C)c1ccc(C)nc1C ZINC000097273238 185575225 /nfs/dbraw/zinc/57/52/25/185575225.db2.gz WRDZHFVFFAYSCZ-OAHLLOKOSA-N 1 0 258.369 2.244 10 0 CEAERO CCn1nc(C)cc1C[C@@H](CCc1ccccn1)[NH2+]C ZINC000097281594 185579217 /nfs/dbraw/zinc/57/92/17/185579217.db2.gz JQCYDZBZUKLWHT-OAHLLOKOSA-N 1 0 272.396 2.370 10 0 CEAERO CCCOCC[C@@H]([NH3+])Cc1nc2ccccc2n1C ZINC000097303373 185581300 /nfs/dbraw/zinc/58/13/00/185581300.db2.gz KGLLLQSKHBGYPJ-GFCCVEGCSA-N 1 0 261.369 2.260 10 0 CEAERO C[NH2+][C@@H](Cc1c(Cl)c(C)nn1C)[C@H]1CCSC1 ZINC000097273892 185575618 /nfs/dbraw/zinc/57/56/18/185575618.db2.gz NLQFEIQWPLFHRH-UWVGGRQHSA-N 1 0 273.833 2.266 10 0 CEAERO CCCCOc1ccc([C@@H]([NH3+])Cc2ncnn2C)cc1 ZINC000097275583 185576804 /nfs/dbraw/zinc/57/68/04/185576804.db2.gz VJQUFYVNXBMILO-AWEZNQCLSA-N 1 0 274.368 2.237 10 0 CEAERO CCc1cc(C[C@@H]([NH3+])C[C@H](C)COC)n(CC)n1 ZINC000097279731 185577400 /nfs/dbraw/zinc/57/74/00/185577400.db2.gz CFYHIJFKFPVKAN-RYUDHWBXSA-N 1 0 253.390 2.008 10 0 CEAERO CCn1nc(C)cc1[C@H]([NH3+])c1cc(OC)cc(OC)c1 ZINC000097312175 185584367 /nfs/dbraw/zinc/58/43/67/185584367.db2.gz KTAFNIJWCPEAAQ-OAHLLOKOSA-N 1 0 275.352 2.277 10 0 CEAERO CC[NH2+][C@H](CC[C@@H](C)OC)Cc1nccn1CC ZINC000097304673 185582109 /nfs/dbraw/zinc/58/21/09/185582109.db2.gz DMIUQJAQIPHIND-CHWSQXEVSA-N 1 0 253.390 2.239 10 0 CEAERO CCCOCC[C@@H]([NH3+])[C@H]1CCOC2(CCOCC2)C1 ZINC000097310812 185583353 /nfs/dbraw/zinc/58/33/53/185583353.db2.gz OTDAVJFXZJJLQD-UONOGXRCSA-N 1 0 271.401 2.106 10 0 CEAERO [NH3+][C@H](CCc1cccnc1)[C@H]1CCOC2(CCOCC2)C1 ZINC000097311028 185583442 /nfs/dbraw/zinc/58/34/42/185583442.db2.gz LJSKTLIPWMWJDW-JKSUJKDBSA-N 1 0 290.407 2.317 10 0 CEAERO COc1ccc(F)cc1[C@@H]([NH3+])Cc1c(C)nn(C)c1C ZINC000097383926 185596359 /nfs/dbraw/zinc/59/63/59/185596359.db2.gz YTCIMIGAVGIRKL-AWEZNQCLSA-N 1 0 277.343 2.427 10 0 CEAERO CCC[NH2+][C@@H](Cc1cccnc1)c1cnn(C)c1C ZINC000097390783 185596947 /nfs/dbraw/zinc/59/69/47/185596947.db2.gz NSHIFARNSFYHMG-HNNXBMFYSA-N 1 0 258.369 2.407 10 0 CEAERO COCC(=O)N1CCC([NH2+][C@H]2CC[C@H](C)[C@@H](C)C2)CC1 ZINC000084986505 178938747 /nfs/dbraw/zinc/93/87/47/178938747.db2.gz NSLWXDNVHMYAAZ-YDHLFZDLSA-N 1 0 282.428 2.038 10 0 CEAERO C[NH2+][C@@H](CSc1cccc(C)c1)Cc1ncnn1C ZINC000097396133 185597912 /nfs/dbraw/zinc/59/79/12/185597912.db2.gz XTLJLDFGUYKKAF-GFCCVEGCSA-N 1 0 276.409 2.046 10 0 CEAERO CCOCCC[C@@H]([NH3+])Cc1c(C)nn(C)c1Cl ZINC000097414920 185598735 /nfs/dbraw/zinc/59/87/35/185598735.db2.gz APEOGCNAUVEGDS-SNVBAGLBSA-N 1 0 259.781 2.068 10 0 CEAERO CC[C@H]([NH3+])[C@@]1(CC(=O)OC)CCO[C@H](C(C)C)C1 ZINC000097432673 185602678 /nfs/dbraw/zinc/60/26/78/185602678.db2.gz HHQWOPUWKAOONB-OBJOEFQTSA-N 1 0 257.374 2.108 10 0 CEAERO COC(=O)CC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000085128378 178952075 /nfs/dbraw/zinc/95/20/75/178952075.db2.gz IKXHAMOCQJDZSR-IUCAKERBSA-N 1 0 253.264 2.260 10 0 CEAERO CC[NH2+][C@@H](c1cnnn1C)[C@@H]1Cc2ccccc2S1 ZINC000097423981 185600560 /nfs/dbraw/zinc/60/05/60/185600560.db2.gz IUQPSHAAJNHQLF-KBPBESRZSA-N 1 0 274.393 2.183 10 0 CEAERO COC(=O)C[C@H](c1ccc(OC(F)F)cc1)[C@H](C)[NH3+] ZINC000097431116 185601548 /nfs/dbraw/zinc/60/15/48/185601548.db2.gz OVPSIATYULSHCH-KWQFWETISA-N 1 0 273.279 2.282 10 0 CEAERO [NH3+]C1(CNC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)CCC1 ZINC000230067290 539503218 /nfs/dbraw/zinc/50/32/18/539503218.db2.gz YIILDVDXKGFCHE-CABCVRRESA-N 1 0 288.391 2.152 10 0 CEAERO CC[C@@H]([NH3+])[C@H](CC(=O)OC)c1ccc(COC)cc1 ZINC000097432423 185602387 /nfs/dbraw/zinc/60/23/87/185602387.db2.gz XAYBXSMRKPONTI-ZIAGYGMSSA-N 1 0 265.353 2.217 10 0 CEAERO CC[C@@H]([NH3+])[C@@](C)(CC(=O)OC)c1ccc(OC)cc1 ZINC000097431915 185602456 /nfs/dbraw/zinc/60/24/56/185602456.db2.gz GKNWHCZYPOITPC-HIFRSBDPSA-N 1 0 265.353 2.253 10 0 CEAERO COC(=O)CC[NH2+][C@H]1CCCC[C@@H]1C(F)(F)F ZINC000085133074 178954528 /nfs/dbraw/zinc/95/45/28/178954528.db2.gz RERKPACNSSFCEF-IUCAKERBSA-N 1 0 253.264 2.260 10 0 CEAERO Cc1c([C@H]([NH3+])[C@H]2CC(C)(C)OC2(C)C)cnn1C ZINC000097459518 185610213 /nfs/dbraw/zinc/61/02/13/185610213.db2.gz ZZRCULVRPWDXBN-NEPJUHHUSA-N 1 0 251.374 2.322 10 0 CEAERO CC[C@H]1CN(c2ncc(Br)cn2)[C@@H](CC)C[NH2+]1 ZINC000086466477 136512781 /nfs/dbraw/zinc/51/27/81/136512781.db2.gz IKLDRVPVVJEWFB-QWRGUYRKSA-N 1 0 299.216 2.206 10 0 CEAERO CC(C)[NH2+]CC1CCN(c2ccc3nccnc3n2)CC1 ZINC000094727039 136514488 /nfs/dbraw/zinc/51/44/88/136514488.db2.gz ILDAVLDNSWNBHI-UHFFFAOYSA-N 1 0 285.395 2.239 10 0 CEAERO CCC[NH2+][C@@](C)(CO)CN(C)c1ccc(CC)cc1 ZINC000085214822 178978886 /nfs/dbraw/zinc/97/88/86/178978886.db2.gz BVEDEQXZSPLOBT-MRXNPFEDSA-N 1 0 264.413 2.436 10 0 CEAERO C[NH2+][C@H]1CCN(C(=O)[C@]2(C)CCCO2)c2ccccc21 ZINC000094770073 136514957 /nfs/dbraw/zinc/51/49/57/136514957.db2.gz NAFYUNVQFLHYPO-BBRMVZONSA-N 1 0 274.364 2.253 10 0 CEAERO CC[NH2+][C@@H](C)c1ccnc(N2CCCC[C@@H]2CO)c1 ZINC000094998519 136515387 /nfs/dbraw/zinc/51/53/87/136515387.db2.gz XONGBSZMBRNXDA-GXTWGEPZSA-N 1 0 263.385 2.103 10 0 CEAERO CC[NH+](CC)C1([C@H](Cc2ccoc2)NN)CCCC1 ZINC000097587992 185634073 /nfs/dbraw/zinc/63/40/73/185634073.db2.gz TYCVRXVAZZUTBM-AWEZNQCLSA-N 1 0 265.401 2.309 10 0 CEAERO CC[C@](C)([C@@H](Cc1cc(C)ccc1OC)NN)[NH+](C)C ZINC000097583182 185630982 /nfs/dbraw/zinc/63/09/82/185630982.db2.gz GSBDVJVGKKRMTI-HZPDHXFCSA-N 1 0 279.428 2.108 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@@H](NN)c1cncc(C)c1 ZINC000097583736 185631222 /nfs/dbraw/zinc/63/12/22/185631222.db2.gz KCPAXQDKUFFFNT-LSDHHAIUSA-N 1 0 264.417 2.405 10 0 CEAERO CC[C@](C)([C@@H](NN)[C@@H](C)CCOC)[NH+]1CCCCC1 ZINC000097585071 185631699 /nfs/dbraw/zinc/63/16/99/185631699.db2.gz YEVSDISBXLXJNS-SOUVJXGZSA-N 1 0 271.449 2.146 10 0 CEAERO CC[NH+](CC)CC[C@H](NN)c1ccc2ncccc2c1 ZINC000097592096 185634307 /nfs/dbraw/zinc/63/43/07/185634307.db2.gz XDTBWOSSHOYPOC-INIZCTEOSA-N 1 0 272.396 2.471 10 0 CEAERO C[NH+](C)C1([C@@H](NN)[C@@H]2CC(C)(C)OC2(C)C)CCCC1 ZINC000097587752 185633083 /nfs/dbraw/zinc/63/30/83/185633083.db2.gz OPONMTGTWIATGD-STQMWFEESA-N 1 0 283.460 2.286 10 0 CEAERO COc1ccnc(N[C@H](CCC[NH3+])c2ccccc2)n1 ZINC000312510094 201909955 /nfs/dbraw/zinc/90/99/55/201909955.db2.gz JFXXJFOILRUXDJ-CYBMUJFWSA-N 1 0 272.352 2.377 10 0 CEAERO CC[NH2+][C@@](C)(CO)COc1ccccc1C(F)(F)F ZINC000085282962 179001051 /nfs/dbraw/zinc/00/10/51/179001051.db2.gz STUKLHOYYSVZAV-LBPRGKRZSA-N 1 0 277.286 2.445 10 0 CEAERO COc1ccc(OCC[C@H]([NH3+])CO)c(C(C)(C)C)c1 ZINC000085283112 179001093 /nfs/dbraw/zinc/00/10/93/179001093.db2.gz GLALCGBHBMNJRV-NSHDSACASA-N 1 0 267.369 2.081 10 0 CEAERO O[C@]12CCCC[C@@H]1C[N@H+](Cc1cccc3nccn31)CC2 ZINC000180373695 232397952 /nfs/dbraw/zinc/39/79/52/232397952.db2.gz ZKYZMRYLRXYKMW-PBHICJAKSA-N 1 0 285.391 2.461 10 0 CEAERO CC[NH2+][C@@](CO)(COc1ccc(C)c(C)c1)C1CC1 ZINC000085284638 179002574 /nfs/dbraw/zinc/00/25/74/179002574.db2.gz PKCCOGPWKUGLBP-INIZCTEOSA-N 1 0 263.381 2.433 10 0 CEAERO [NH3+][C@](CO)(COc1ccccc1F)c1ccccc1 ZINC000085284432 179002130 /nfs/dbraw/zinc/00/21/30/179002130.db2.gz QECJLHFVVWETAU-OAHLLOKOSA-N 1 0 261.296 2.051 10 0 CEAERO Cc1cc(C)n(CCCC[C@@](C)(CO)[NH2+]C(C)C)n1 ZINC000085263550 178994151 /nfs/dbraw/zinc/99/41/51/178994151.db2.gz JTGXLMOMVQCUNM-HNNXBMFYSA-N 1 0 267.417 2.419 10 0 CEAERO CC[NH2+][C@@](C)(CO)C[C@@H](C)Oc1cc(F)cc(F)c1 ZINC000085265182 178995375 /nfs/dbraw/zinc/99/53/75/178995375.db2.gz BNUHUMOLFCCHBB-QMTHXVAHSA-N 1 0 273.323 2.483 10 0 CEAERO C[C@](CO)(CCOc1cc(F)ccc1F)[NH2+]C1CC1 ZINC000085265800 178996138 /nfs/dbraw/zinc/99/61/38/178996138.db2.gz SDPGWJKRPXHYHT-CQSZACIVSA-N 1 0 271.307 2.237 10 0 CEAERO CC1CCC(OCC[C@](C)(CO)[NH2+]C2CC2)CC1 ZINC000085269620 178998138 /nfs/dbraw/zinc/99/81/38/178998138.db2.gz YPSPFIXIMBQPTJ-PESDSKBTSA-N 1 0 255.402 2.475 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)C[C@H](C)OC[C@@H]1CCCCO1 ZINC000085269960 178998794 /nfs/dbraw/zinc/99/87/94/178998794.db2.gz VAMAWKRYLLUSOC-KKUMJFAQSA-N 1 0 273.417 2.100 10 0 CEAERO CCCOc1ccc(OCC[C@](C)(CO)[NH2+]C)cc1 ZINC000085286183 179004048 /nfs/dbraw/zinc/00/40/48/179004048.db2.gz XJVNZGIARIGGRK-OAHLLOKOSA-N 1 0 267.369 2.215 10 0 CEAERO CC[NH2+][C@](CO)(CO[C@@H](C)CC)c1ccccc1 ZINC000085286982 179004867 /nfs/dbraw/zinc/00/48/67/179004867.db2.gz CZVXMMQZPREVIB-DZGCQCFKSA-N 1 0 251.370 2.299 10 0 CEAERO CCC[NH2+][C@@](C)(CO)C[C@@H](C)Sc1ccncn1 ZINC000085289964 179005824 /nfs/dbraw/zinc/00/58/24/179005824.db2.gz KLSDLZDYRLWFQU-DGCLKSJQSA-N 1 0 269.414 2.098 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)C[C@H](C)Sc1cnccn1 ZINC000085289633 179006145 /nfs/dbraw/zinc/00/61/45/179006145.db2.gz UJZMOOHEIADWNM-WCQYABFASA-N 1 0 269.414 2.096 10 0 CEAERO C[NH2+][C@@](C)(CO)C[C@H](C)Sc1nc2ccccc2[nH]1 ZINC000085291718 179006994 /nfs/dbraw/zinc/00/69/94/179006994.db2.gz PRMMVUWMVXIGSD-IINYFYTJSA-N 1 0 279.409 2.404 10 0 CEAERO COc1cccc(SCCC[C@@](C)([NH3+])CO)c1 ZINC000085291144 179007342 /nfs/dbraw/zinc/00/73/42/179007342.db2.gz GXLJBNIEYUYPIO-CYBMUJFWSA-N 1 0 255.383 2.277 10 0 CEAERO C[NH2+][C@@](C)(CO)CCSc1nc2ccccc2o1 ZINC000085292401 179007567 /nfs/dbraw/zinc/00/75/67/179007567.db2.gz BPHOMXLERUOTHK-CYBMUJFWSA-N 1 0 266.366 2.280 10 0 CEAERO C[NH2+][C@](C)(CO)CCSc1ncnc2ccccc21 ZINC000085297234 179008200 /nfs/dbraw/zinc/00/82/00/179008200.db2.gz NWRVCFKSOLVJAM-AWEZNQCLSA-N 1 0 277.393 2.082 10 0 CEAERO C[NH2+][C@H](CO)CCSc1ccc2c(c1)CCC2 ZINC000085292946 179008463 /nfs/dbraw/zinc/00/84/63/179008463.db2.gz XPVVOBABLMKSLK-ZDUSSCGKSA-N 1 0 251.395 2.238 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCCSc1nnc(C)s1 ZINC000085297116 179008678 /nfs/dbraw/zinc/00/86/78/179008678.db2.gz PTCLMEGHKQZYLG-LLVKDONJSA-N 1 0 275.443 2.079 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)C[C@H](C)Sc1cnn(C)c1 ZINC000085297658 179009248 /nfs/dbraw/zinc/00/92/48/179009248.db2.gz VVPRVQXKWGAFJG-WCQYABFASA-N 1 0 271.430 2.040 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCOc1cc(C)ccc1C ZINC000085284606 179003005 /nfs/dbraw/zinc/00/30/05/179003005.db2.gz ILEKWJFOZMBGLR-OAHLLOKOSA-N 1 0 251.370 2.433 10 0 CEAERO C[C@](O)(C[NH3+])CCCOc1ccc2c(c1)CCCC2 ZINC000085305449 179012115 /nfs/dbraw/zinc/01/21/15/179012115.db2.gz YYKJIGNAPMBJLN-MRXNPFEDSA-N 1 0 263.381 2.434 10 0 CEAERO Cc1cc2ncn(CCC[C@](C)(O)C[NH3+])c2cc1C ZINC000085304607 179012221 /nfs/dbraw/zinc/01/22/21/179012221.db2.gz OFCGKURRUKQLPO-HNNXBMFYSA-N 1 0 261.369 2.143 10 0 CEAERO C[C@H](C[C@](C)(O)C[NH3+])n1ccnc1-c1ccccc1 ZINC000085304758 179012226 /nfs/dbraw/zinc/01/22/26/179012226.db2.gz GBNUOAOQBLTAQS-DOMZBBRYSA-N 1 0 259.353 2.211 10 0 CEAERO CCC(C)(C)c1ccc(OC[C@@](C)(O)C[NH3+])cc1 ZINC000085306926 179012532 /nfs/dbraw/zinc/01/25/32/179012532.db2.gz NIFUJFKLHDTGRC-HNNXBMFYSA-N 1 0 251.370 2.463 10 0 CEAERO Cc1ccc(OCC[C@@H](O)C[NH3+])c(C(C)(C)C)c1 ZINC000085306444 179012552 /nfs/dbraw/zinc/01/25/52/179012552.db2.gz IGNBRRZWNFYNHR-GFCCVEGCSA-N 1 0 251.370 2.381 10 0 CEAERO C[C@H](C[NH3+])SCc1noc(-c2cccs2)n1 ZINC000085308004 179013044 /nfs/dbraw/zinc/01/30/44/179013044.db2.gz LNOPOGSLNDQBQO-SSDOTTSWSA-N 1 0 255.368 2.379 10 0 CEAERO C[C@H]([NH3+])CSCC(=O)Nc1ccccc1Cl ZINC000085313657 179013994 /nfs/dbraw/zinc/01/39/94/179013994.db2.gz JQTSMMMWJOIGSN-QMMMGPOBSA-N 1 0 258.774 2.359 10 0 CEAERO COc1ccccc1S[C@H](C)C[C@@](C)(O)C[NH3+] ZINC000085320474 179014510 /nfs/dbraw/zinc/01/45/10/179014510.db2.gz BVZFKILFOYEDLL-ZWNOBZJWSA-N 1 0 255.383 2.276 10 0 CEAERO COCCn1c2ccccc2nc1[C@H]1CCC[C@H]1[NH3+] ZINC000085321876 179015696 /nfs/dbraw/zinc/01/56/96/179015696.db2.gz ISEOTKMZOBKNAH-NWDGAFQWSA-N 1 0 259.353 2.278 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1c1nc(CCOc2ccccc2)no1 ZINC000085325178 179017786 /nfs/dbraw/zinc/01/77/86/179017786.db2.gz IQSHBKDXMJKHFI-CHWSQXEVSA-N 1 0 273.336 2.286 10 0 CEAERO C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085356529 179030210 /nfs/dbraw/zinc/03/02/10/179030210.db2.gz OWCRXEPNOLUANL-XBFCOCLRSA-N 1 0 258.365 2.482 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2C1 ZINC000085356594 179030932 /nfs/dbraw/zinc/03/09/32/179030932.db2.gz CZOVWCPECPGFMP-CABCVRRESA-N 1 0 258.365 2.089 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)NCc1cccc(Cl)c1 ZINC000085358404 179031079 /nfs/dbraw/zinc/03/10/79/179031079.db2.gz YTQPGNHNBXJTKN-VXGBXAGGSA-N 1 0 252.745 2.084 10 0 CEAERO [NH3+]CC[C@H](O)c1cccc(Cl)c1Br ZINC000213337039 539535912 /nfs/dbraw/zinc/53/59/12/539535912.db2.gz HMQNIPJCMULWEP-QMMMGPOBSA-N 1 0 264.550 2.485 10 0 CEAERO Cc1cc(N(C)C)ccc1NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085360275 179032333 /nfs/dbraw/zinc/03/23/33/179032333.db2.gz NPDMTKZFDWETJD-OLZOCXBDSA-N 1 0 261.369 2.127 10 0 CEAERO CC(=O)Nc1cc(NC(=O)[C@H]2CCCC[C@H]2[NH3+])ccc1C ZINC000085364931 179035970 /nfs/dbraw/zinc/03/59/70/179035970.db2.gz ZIWBMKCLMKQBQR-UONOGXRCSA-N 1 0 289.379 2.409 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1ccc2n[nH]cc2c1 ZINC000085361583 179033487 /nfs/dbraw/zinc/03/34/87/179033487.db2.gz DUUBKGRDSNBRMS-VXGBXAGGSA-N 1 0 258.325 2.019 10 0 CEAERO C[C@H](Cc1cccs1)NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085361761 179033553 /nfs/dbraw/zinc/03/35/53/179033553.db2.gz JQVMGWMVGKCQOD-WXHSDQCUSA-N 1 0 266.410 2.313 10 0 CEAERO COC(=O)c1ccc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])c(C)c1 ZINC000085364451 179035374 /nfs/dbraw/zinc/03/53/74/179035374.db2.gz BSRXXZGWPBNPJC-STQMWFEESA-N 1 0 290.363 2.238 10 0 CEAERO Cc1nn(C)c(CS[C@H](C)CC[NH3+])c1Br ZINC000085344861 179028404 /nfs/dbraw/zinc/02/84/04/179028404.db2.gz LZVZMLNJXWCPGW-SSDOTTSWSA-N 1 0 292.246 2.462 10 0 CEAERO CSc1ccc(CN(C)C(=O)[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000085366670 179036941 /nfs/dbraw/zinc/03/69/41/179036941.db2.gz GLNHTTKJONDIOW-KBPBESRZSA-N 1 0 278.421 2.494 10 0 CEAERO CN(Cc1ccccc1Cl)C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085366599 179037100 /nfs/dbraw/zinc/03/71/00/179037100.db2.gz JGNOITNTGVERIL-DGCLKSJQSA-N 1 0 266.772 2.426 10 0 CEAERO CN(CCOc1ccccc1F)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085367413 179037705 /nfs/dbraw/zinc/03/77/05/179037705.db2.gz NGFTWHYZTUVVIW-TZMCWYRMSA-N 1 0 294.370 2.180 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)N(Cc1ccncc1)C1CC1 ZINC000085367595 179037717 /nfs/dbraw/zinc/03/77/17/179037717.db2.gz XXKDQLKMXMFDPB-HUUCEWRRSA-N 1 0 273.380 2.090 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)N(Cc1ccccn1)C1CC1 ZINC000085367577 179037834 /nfs/dbraw/zinc/03/78/34/179037834.db2.gz SXHAIXDARIFRGM-HUUCEWRRSA-N 1 0 273.380 2.090 10 0 CEAERO C[C@H]1c2ccsc2CCN1C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085369749 179039705 /nfs/dbraw/zinc/03/97/05/179039705.db2.gz NDDNRCWNKBFLFF-DLOVCJGASA-N 1 0 264.394 2.321 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1nc(C2CC2)cs1 ZINC000085372567 179042199 /nfs/dbraw/zinc/04/21/99/179042199.db2.gz BCTOPZLXVAMGSW-ZJUUUORDSA-N 1 0 265.382 2.477 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)NCCc1cc(F)cc(F)c1 ZINC000085374239 179043507 /nfs/dbraw/zinc/04/35/07/179043507.db2.gz KBVZCEAPYOQVPW-UONOGXRCSA-N 1 0 282.334 2.141 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)NCCCc1ccccc1 ZINC000085365248 179036267 /nfs/dbraw/zinc/03/62/67/179036267.db2.gz WCYKKUOHYQIRBR-HUUCEWRRSA-N 1 0 260.381 2.253 10 0 CEAERO O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1CC[NH2+]C1 ZINC000062112214 362707367 /nfs/dbraw/zinc/70/73/67/362707367.db2.gz AYWRPIWYIUBBSD-QMMMGPOBSA-N 1 0 258.243 2.253 10 0 CEAERO CC(C)CO[C@H]1C[C@@H]([NH2+]CCC(=O)N2CCCC2)C1(C)C ZINC000085399695 179051317 /nfs/dbraw/zinc/05/13/17/179051317.db2.gz MNYZIWHMIYSMQO-CABCVRRESA-N 1 0 296.455 2.428 10 0 CEAERO O=C(Nc1ccc(Cl)c2cccnc12)[C@H]1CC[NH2+]C1 ZINC000062114306 362707079 /nfs/dbraw/zinc/70/70/79/362707079.db2.gz LFRHIXYEMGILAA-VIFPVBQESA-N 1 0 275.739 2.436 10 0 CEAERO C[C@H]([NH2+]CCCC(N)=O)c1cnc2ccsc2c1 ZINC000085433590 179060926 /nfs/dbraw/zinc/06/09/26/179060926.db2.gz VSLIYMNWNNVBCU-VIFPVBQESA-N 1 0 263.366 2.212 10 0 CEAERO C[C@H]([NH2+]CCc1nnc[nH]1)c1cnc2ccsc2c1 ZINC000085434183 179061497 /nfs/dbraw/zinc/06/14/97/179061497.db2.gz WWBUFFNVQUEHNW-VIFPVBQESA-N 1 0 273.365 2.308 10 0 CEAERO c1cc(CN2CC[NH2+][C@@H](C3CCCCC3)C2)ccn1 ZINC000085435535 179061660 /nfs/dbraw/zinc/06/16/60/179061660.db2.gz ILFJGBJVYKYPTI-MRXNPFEDSA-N 1 0 259.397 2.436 10 0 CEAERO c1ccc(OCCN2CC[NH2+]C3(CCCC3)C2)cc1 ZINC000085435317 179061914 /nfs/dbraw/zinc/06/19/14/179061914.db2.gz ZWRBTDZGDJYGLK-UHFFFAOYSA-N 1 0 260.381 2.283 10 0 CEAERO CC[C@@]1(C)CN[C@@H](C(C)C)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085468038 179072967 /nfs/dbraw/zinc/07/29/67/179072967.db2.gz JANKOLICSATKHH-ZNMIVQPWSA-N 1 0 254.418 2.121 10 0 CEAERO COc1cccc(CN2CC[NH2+]CC23CCCC3)c1 ZINC000085452341 179065807 /nfs/dbraw/zinc/06/58/07/179065807.db2.gz OKVZMEIZYPOSDC-UHFFFAOYSA-N 1 0 260.381 2.413 10 0 CEAERO CC[C@]1(C)C[NH2+]CCN1Cc1ccn(C(C)C)n1 ZINC000085452006 179065863 /nfs/dbraw/zinc/06/58/63/179065863.db2.gz GRMPSPICZVKGEU-CQSZACIVSA-N 1 0 250.390 2.038 10 0 CEAERO C[C@H]1CN(C[C@@H]2CCCCO2)C2(CCCC2)C[NH2+]1 ZINC000085454415 179067711 /nfs/dbraw/zinc/06/77/11/179067711.db2.gz VSIZWKBLGGUVNE-KBPBESRZSA-N 1 0 252.402 2.162 10 0 CEAERO CC[C@H]1CN(C[C@@H]2CCCO2)[C@H](C(C)(C)C)C[NH2+]1 ZINC000085473687 179077978 /nfs/dbraw/zinc/07/79/78/179077978.db2.gz ABTBMFQMWHZOIX-IHRRRGAJSA-N 1 0 254.418 2.264 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@](C)(CC)CN1Cc1cnn(C)c1 ZINC000085495263 179082193 /nfs/dbraw/zinc/08/21/93/179082193.db2.gz FXQJGQCNBGQCKW-CABCVRRESA-N 1 0 264.417 2.163 10 0 CEAERO CC[C@H]1C[N@H+](C[C@@H]2CCOC2)C2(CCCC2)CN1 ZINC000085474881 179078677 /nfs/dbraw/zinc/07/86/77/179078677.db2.gz OOLUYTBXTQWRSI-KBPBESRZSA-N 1 0 252.402 2.020 10 0 CEAERO CCn1cc(CN2C[C@H](CC(C)C)[NH2+]C[C@@H]2C)cn1 ZINC000085487017 179081325 /nfs/dbraw/zinc/08/13/25/179081325.db2.gz ZBTKLODADDMIQW-ZFWWWQNUSA-N 1 0 264.417 2.111 10 0 CEAERO C[C@H]1C[NH2+][C@@](C)(C2CC2)CN1C[C@@H]1CCCCO1 ZINC000085509267 179085630 /nfs/dbraw/zinc/08/56/30/179085630.db2.gz KUEHFTYGLONEAU-AEGPPILISA-N 1 0 252.402 2.018 10 0 CEAERO COCCOCCN1C[C@H](c2ccccc2)[NH2+]CC1(C)C ZINC000085507617 179085848 /nfs/dbraw/zinc/08/58/48/179085848.db2.gz RTEWLGKOHXATSQ-MRXNPFEDSA-N 1 0 292.423 2.075 10 0 CEAERO CC1(C)CN[C@@](C)(C2CC2)C[N@@H+]1CC1CCOCC1 ZINC000085514720 179086988 /nfs/dbraw/zinc/08/69/88/179086988.db2.gz ASGCUDYZKGELJS-MRXNPFEDSA-N 1 0 266.429 2.266 10 0 CEAERO CCn1cc(CN2CC(CC)(CC)[NH2+]C[C@@H]2C)cn1 ZINC000085516893 179087656 /nfs/dbraw/zinc/08/76/56/179087656.db2.gz OFXMLBQXOQXZOP-ZDUSSCGKSA-N 1 0 264.417 2.256 10 0 CEAERO CC[C@H]1C[NH2+]C(CC)(CC)CN1CCn1ccnc1C ZINC000085517305 179087763 /nfs/dbraw/zinc/08/77/63/179087763.db2.gz YZVFKGHREXHDTN-HNNXBMFYSA-N 1 0 278.444 2.434 10 0 CEAERO CO[C@H]1CCC[C@@H]([N@@H+]2C[C@H](C3CC3)NC[C@@H]2C)C1 ZINC000085521709 179087884 /nfs/dbraw/zinc/08/78/84/179087884.db2.gz PCWSRLZRURUEEY-PMOUVXMZSA-N 1 0 252.402 2.016 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C2CC2)CN1CCOCC(F)(F)F ZINC000085522322 179088384 /nfs/dbraw/zinc/08/83/84/179088384.db2.gz YLACWNZCOFTMMT-RYUDHWBXSA-N 1 0 280.334 2.028 10 0 CEAERO CC(C)[C@H]1C[NH2+][C@@H](C2CC2)CN1CC(F)(F)F ZINC000085524582 179088515 /nfs/dbraw/zinc/08/85/15/179088515.db2.gz NBIAVMXCYQKICU-GHMZBOCLSA-N 1 0 250.308 2.257 10 0 CEAERO CC[C@]1(C)CN(CCn2cccn2)[C@@](C)(CC)C[NH2+]1 ZINC000085496716 179083564 /nfs/dbraw/zinc/08/35/64/179083564.db2.gz FESWGHYNYCYLIA-CABCVRRESA-N 1 0 264.417 2.126 10 0 CEAERO CC1(C)C[NH2+]C2(CCCCC2)CN1Cc1ncccn1 ZINC000085503437 179084280 /nfs/dbraw/zinc/08/42/80/179084280.db2.gz FSDRUYDFDRKOQM-UHFFFAOYSA-N 1 0 274.412 2.363 10 0 CEAERO CC[C@H](C)[C@@H]1C[NH2+][C@H](C2CC2)CN1Cc1cnn(C)c1 ZINC000085525466 179089485 /nfs/dbraw/zinc/08/94/85/179089485.db2.gz VMFQQOWXZUAYRO-RCBQFDQVSA-N 1 0 276.428 2.019 10 0 CEAERO c1cncc(CN2C[C@H](C3CC3)[NH2+]C[C@@H]2C2CC2)c1 ZINC000085526540 179089796 /nfs/dbraw/zinc/08/97/96/179089796.db2.gz MRYWXZMEOPUAMP-HZPDHXFCSA-N 1 0 257.381 2.044 10 0 CEAERO Cn1cc(CN2C[C@@H](C3CC3)[NH2+]CC23CCCCC3)cn1 ZINC000085529309 179090511 /nfs/dbraw/zinc/09/05/11/179090511.db2.gz RXMCVOXZSVYOKM-INIZCTEOSA-N 1 0 288.439 2.307 10 0 CEAERO C[C@@H]([NH3+])c1nc(CN2CCCSCC2)cs1 ZINC000085550235 179093209 /nfs/dbraw/zinc/09/32/09/179093209.db2.gz FNRNKKGRKLGLSA-SECBINFHSA-N 1 0 257.428 2.102 10 0 CEAERO Cc1ccc(F)c(O[C@@H](C)C[C@](C)([NH2+]C2CC2)C(N)=O)c1 ZINC000085560169 179093535 /nfs/dbraw/zinc/09/35/35/179093535.db2.gz PPPPDJDDOIOKPW-ZBEGNZNMSA-N 1 0 294.370 2.288 10 0 CEAERO Cc1ccc(F)c(OCc2ccnc(C(N)=[NH2+])c2)c1 ZINC000085556349 179093814 /nfs/dbraw/zinc/09/38/14/179093814.db2.gz FISKHNYNLWGZEW-UHFFFAOYSA-N 1 0 259.284 2.392 10 0 CEAERO Cc1nc2c(n1-c1ccc3c(c1)OC(F)(F)O3)CC[NH2+]C2 ZINC000085568925 179094987 /nfs/dbraw/zinc/09/49/87/179094987.db2.gz MJHKFWKEHKAJQO-UHFFFAOYSA-N 1 0 293.273 2.148 10 0 CEAERO CCc1nc2c(n1-c1ccc(OC)cc1C)CC[NH2+]C2 ZINC000085571059 179096200 /nfs/dbraw/zinc/09/62/00/179096200.db2.gz HQSUECZRIYPRTE-UHFFFAOYSA-N 1 0 271.364 2.397 10 0 CEAERO C(Cn1c2c(nc1C1CC1)C[NH2+]CC2)OC1CCCC1 ZINC000085571702 179097089 /nfs/dbraw/zinc/09/70/89/179097089.db2.gz RNYPOGQDTKTFAI-UHFFFAOYSA-N 1 0 275.396 2.365 10 0 CEAERO CCCCOCCn1c2c(nc1C(F)(F)F)C[NH2+]CC2 ZINC000085573861 179099153 /nfs/dbraw/zinc/09/91/53/179099153.db2.gz GFRYELKIJBBRKD-UHFFFAOYSA-N 1 0 291.317 2.364 10 0 CEAERO c1ccc(C[C@H]2CN(C[C@@H]3CCCCO3)CCC[NH2+]2)cc1 ZINC000085608740 179100963 /nfs/dbraw/zinc/10/09/63/179100963.db2.gz ZHYCQKFLINXVGH-ROUUACIJSA-N 1 0 288.435 2.462 10 0 CEAERO COc1cccc(CN2CCC[NH2+][C@](C)(C3CC3)C2)n1 ZINC000085613105 179103256 /nfs/dbraw/zinc/10/32/56/179103256.db2.gz SZTVCJJEGGODDX-INIZCTEOSA-N 1 0 275.396 2.054 10 0 CEAERO CCn1cc(CN2CCC[NH2+]C(CC)(CC)C2)cn1 ZINC000085617520 179103687 /nfs/dbraw/zinc/10/36/87/179103687.db2.gz QSYIYFPMBDZCGA-UHFFFAOYSA-N 1 0 264.417 2.257 10 0 CEAERO COc1ccc(CN2CC[NH2+]CC[C@@H]2C)cc1F ZINC000085622375 179105201 /nfs/dbraw/zinc/10/52/01/179105201.db2.gz PJTOEKKZXFJUAP-NSHDSACASA-N 1 0 252.333 2.018 10 0 CEAERO C[C@H]1CC[NH2+][C@H](c2ccccc2)CN1Cc1ncccn1 ZINC000085621342 179105210 /nfs/dbraw/zinc/10/52/10/179105210.db2.gz ARQHPFMRLZPNRY-HOCLYGCPSA-N 1 0 282.391 2.402 10 0 CEAERO CC(C)C[C@@H]1CN(Cc2cnn(C)c2)[C@@H](C)CC[NH2+]1 ZINC000085622207 179105676 /nfs/dbraw/zinc/10/56/76/179105676.db2.gz CXZBMQANCSKYSD-DZGCQCFKSA-N 1 0 264.417 2.019 10 0 CEAERO C[C@@H](Cn1cccn1)[NH2+][C@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085674122 179111742 /nfs/dbraw/zinc/11/17/42/179111742.db2.gz NFPCITAKCZSZNQ-XUXIUFHCSA-N 1 0 263.385 2.065 10 0 CEAERO C[C@H](CN1CCCC1)[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085675450 179112700 /nfs/dbraw/zinc/11/27/00/179112700.db2.gz IIEXYNIQSKVNPJ-BARDWOONSA-N 1 0 266.429 2.264 10 0 CEAERO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1nnc2ccccn21 ZINC000085632535 179108633 /nfs/dbraw/zinc/10/86/33/179108633.db2.gz JCOJKUOQHWRQAU-VTPLQMEGSA-N 1 0 286.379 2.193 10 0 CEAERO C[C@@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CCCCC1 ZINC000085636207 179109401 /nfs/dbraw/zinc/10/94/01/179109401.db2.gz DCDYJQMQCFEGGE-AJNGGQMLSA-N 1 0 266.429 2.264 10 0 CEAERO Cc1cc([C@H]2NC(=O)CC[C@H]2[NH3+])ccc1Br ZINC000085708896 179122850 /nfs/dbraw/zinc/12/28/50/179122850.db2.gz ICTYAQOOMIQBGV-ZYHUDNBSSA-N 1 0 283.169 2.036 10 0 CEAERO CC[C@H]1COCCN1c1ccc(C[C@@H](C)[NH3+])c(C)c1 ZINC000104271029 136554028 /nfs/dbraw/zinc/55/40/28/136554028.db2.gz ZUHKRUOVKFYBJO-HIFRSBDPSA-N 1 0 262.397 2.500 10 0 CEAERO CC[C@@](C)([C@@H]([NH3+])Cc1ccccc1)N1CCOCC1 ZINC000085750022 179142114 /nfs/dbraw/zinc/14/21/14/179142114.db2.gz WTKNNLRUDVBGLK-HOTGVXAUSA-N 1 0 262.397 2.057 10 0 CEAERO Cc1cc(N(C)[C@@H]2CCCN(c3cccnn3)C2)cc[nH+]1 ZINC000274335616 136628139 /nfs/dbraw/zinc/62/81/39/136628139.db2.gz HALJLKHWYLSTTA-OAHLLOKOSA-N 1 0 283.379 2.285 10 0 CEAERO C[NH2+][C@H](Cc1ccc(Br)cc1F)CN(C)C ZINC000085799096 179173352 /nfs/dbraw/zinc/17/33/52/179173352.db2.gz OSTXYQCSESTWLH-LLVKDONJSA-N 1 0 289.192 2.280 10 0 CEAERO [NH3+]Cc1ccccc1NC(=O)Cc1ccc(O)cc1 ZINC000085810178 179177534 /nfs/dbraw/zinc/17/75/34/179177534.db2.gz QMAAEZNUVXQRGI-UHFFFAOYSA-N 1 0 256.305 2.032 10 0 CEAERO [NH3+][C@]1(c2nc3ccccc3n2CC(F)(F)F)CCOC1 ZINC000085849983 179187963 /nfs/dbraw/zinc/18/79/63/179187963.db2.gz LGYKWAYHHXQDHO-GFCCVEGCSA-N 1 0 285.269 2.173 10 0 CEAERO Cc1ccc(Cl)c(NC(=O)[C@@]2([NH3+])CCOC2)c1Cl ZINC000085867286 179192059 /nfs/dbraw/zinc/19/20/59/179192059.db2.gz NHFVUXVSUOOFGT-GFCCVEGCSA-N 1 0 289.162 2.358 10 0 CEAERO CC(C)([NH3+])c1cn(Cc2ccc(F)c(Cl)c2)nn1 ZINC000231073925 539556861 /nfs/dbraw/zinc/55/68/61/539556861.db2.gz UTFLWNNGONUYIT-UHFFFAOYSA-N 1 0 268.723 2.313 10 0 CEAERO C[C@H](C[NH3+])[C@@](C)(O)c1ccccc1Br ZINC000085899486 179196090 /nfs/dbraw/zinc/19/60/90/179196090.db2.gz SUGDBXXEFOLVBC-LDYMZIIASA-N 1 0 258.159 2.251 10 0 CEAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1cnc2ccccc2n1 ZINC000085963342 179204957 /nfs/dbraw/zinc/20/49/57/179204957.db2.gz APVNJXOBLGOPPF-LRDDRELGSA-N 1 0 271.364 2.271 10 0 CEAERO Cc1ccc(F)cc1C(=O)NC[C@H]1CCCC[C@@H]1[NH3+] ZINC000085965286 179205176 /nfs/dbraw/zinc/20/51/76/179205176.db2.gz BTZHSIUPOMZHMK-RISCZKNCSA-N 1 0 264.344 2.381 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1CNC(=O)c1cc(F)cc(F)c1 ZINC000085966638 179205946 /nfs/dbraw/zinc/20/59/46/179205946.db2.gz UZOWDTCTFZWPAH-ZANVPECISA-N 1 0 268.307 2.212 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1CNC(=O)c1nccc2ccccc21 ZINC000085967623 179206065 /nfs/dbraw/zinc/20/60/65/179206065.db2.gz DDVXCBLJOYGZEN-ZFWWWQNUSA-N 1 0 283.375 2.482 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1CNC(=O)NC1CCCCC1 ZINC000085970251 179206521 /nfs/dbraw/zinc/20/65/21/179206521.db2.gz IYEGGNQRVXJIPT-AAEUAGOBSA-N 1 0 253.390 2.136 10 0 CEAERO COc1cccc(NC(=O)NC[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000085970274 179206700 /nfs/dbraw/zinc/20/67/00/179206700.db2.gz NPYACGTVIJASID-FZMZJTMJSA-N 1 0 277.368 2.334 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1CNC(=O)NC1CCCCC1 ZINC000085970271 179206830 /nfs/dbraw/zinc/20/68/30/179206830.db2.gz IYEGGNQRVXJIPT-DGCLKSJQSA-N 1 0 253.390 2.136 10 0 CEAERO O[C@@H]1CCCC[C@H]1C[NH2+]Cc1[nH]nnc1-c1ccccc1 ZINC000085973583 179207126 /nfs/dbraw/zinc/20/71/26/179207126.db2.gz WSALWYFJFWAKQI-DZGCQCFKSA-N 1 0 286.379 2.112 10 0 CEAERO CC(C)[C@H]1C[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)CCO1 ZINC000085978817 179208488 /nfs/dbraw/zinc/20/84/88/179208488.db2.gz LFOCLJQVUBQUBY-LJISPDSOSA-N 1 0 255.402 2.331 10 0 CEAERO CCCCCc1ccc(NC(=O)[C@]2([NH3+])CCOC2)cc1 ZINC000085912316 179197279 /nfs/dbraw/zinc/19/72/79/179197279.db2.gz UFXISXVCLPVPRY-INIZCTEOSA-N 1 0 276.380 2.476 10 0 CEAERO CC[NH2+][C@@H](CCO)CN1CCC(Cc2ccccc2)CC1 ZINC000085921697 179200198 /nfs/dbraw/zinc/20/01/98/179200198.db2.gz COUJEJISWOZUDO-SFHVURJKSA-N 1 0 290.451 2.302 10 0 CEAERO CC[NH2+][C@H](CCO)CN1CCC2(CCCC2)CC1 ZINC000085922944 179201315 /nfs/dbraw/zinc/20/13/15/179201315.db2.gz NXALDQTUDCMEJQ-CQSZACIVSA-N 1 0 254.418 2.003 10 0 CEAERO CC[NH2+][C@@H](CCO)CN1CCC(C(C)(C)C)CC1 ZINC000085922596 179201335 /nfs/dbraw/zinc/20/13/35/179201335.db2.gz UVFQNRRUPNOZBY-AWEZNQCLSA-N 1 0 256.434 2.105 10 0 CEAERO CCC[NH2+][C@H](CCO)Cn1c(C)nc2ccccc21 ZINC000085923282 179201508 /nfs/dbraw/zinc/20/15/08/179201508.db2.gz WHQOEHVHRUZLTL-CYBMUJFWSA-N 1 0 261.369 2.095 10 0 CEAERO CC[NH2+][C@H](CCO)COc1cccc2ccc(C)nc21 ZINC000085926294 179202038 /nfs/dbraw/zinc/20/20/38/179202038.db2.gz UPMONNZKPLCXMY-CQSZACIVSA-N 1 0 274.364 2.283 10 0 CEAERO CCC[NH2+][C@H](CCO)CSc1ccc(NC(C)=O)cc1 ZINC000085928898 179202696 /nfs/dbraw/zinc/20/26/96/179202696.db2.gz ZBBUXYONFANYBU-CQSZACIVSA-N 1 0 296.436 2.488 10 0 CEAERO Cc1csc2c1ncnc2N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000065374688 362812232 /nfs/dbraw/zinc/81/22/32/362812232.db2.gz QNBURSVTAYVKGT-MNOVXSKESA-N 1 0 274.393 2.330 10 0 CEAERO CC(C)n1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)n1 ZINC000085985677 179211446 /nfs/dbraw/zinc/21/14/46/179211446.db2.gz FAVNQFLIWXLVLU-JSGCOSHPSA-N 1 0 251.374 2.105 10 0 CEAERO CC(C)n1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2O)n1 ZINC000085985680 179211803 /nfs/dbraw/zinc/21/18/03/179211803.db2.gz FAVNQFLIWXLVLU-GXTWGEPZSA-N 1 0 251.374 2.105 10 0 CEAERO CC[NH2+][C@H]1CC[C@H](S(=O)(=O)c2cccs2)[C@@H]1C ZINC000086040890 179222385 /nfs/dbraw/zinc/22/23/85/179222385.db2.gz MTOIUYVGRGYIQF-VWYCJHECSA-N 1 0 273.423 2.298 10 0 CEAERO CC[NH2+][C@@H]1CC[C@@H](Sc2nccc(=O)[nH]2)[C@@H]1C ZINC000086043759 179223075 /nfs/dbraw/zinc/22/30/75/179223075.db2.gz QZNJDBQKGIGNEV-OPRDCNLKSA-N 1 0 253.371 2.051 10 0 CEAERO C[NH2+][C@@H]1CC[C@H](Sc2nnc3ccccn32)[C@@H]1C ZINC000086045759 179223088 /nfs/dbraw/zinc/22/30/88/179223088.db2.gz DDZHQHNCBNCMBG-MXWKQRLJSA-N 1 0 262.382 2.208 10 0 CEAERO CCC[NH2+][C@H]1CC[C@@H](CCCS(C)(=O)=O)[C@@H]1C ZINC000086065285 179223612 /nfs/dbraw/zinc/22/36/12/179223612.db2.gz LXQCIUNQKYWMEX-XQQFMLRXSA-N 1 0 261.431 2.226 10 0 CEAERO C[C@H]1[C@H](NC(=O)C2(C[NH3+])CCCCC2)CC[C@@H]1C ZINC000086073959 179224864 /nfs/dbraw/zinc/22/48/64/179224864.db2.gz VLILXICSWJJTCE-YNEHKIRRSA-N 1 0 252.402 2.446 10 0 CEAERO Cc1ccc(C[NH3+])cc1S(=O)(=O)N[C@@H]1CC[C@@H](C)[C@@H]1C ZINC000086074705 179225349 /nfs/dbraw/zinc/22/53/49/179225349.db2.gz QCYFXWLBCJDTRE-SCDSUCTJSA-N 1 0 296.436 2.167 10 0 CEAERO CCCc1ccc([C@@H]([NH3+])[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000086019987 179217988 /nfs/dbraw/zinc/21/79/88/179217988.db2.gz QNBXTUVWPJBJGE-ZIAGYGMSSA-N 1 0 267.394 2.074 10 0 CEAERO CCc1oc2ccccc2c1[C@H]([NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000086022719 179218471 /nfs/dbraw/zinc/21/84/71/179218471.db2.gz FAYRVEHJMPPYHW-MEBBXXQBSA-N 1 0 293.388 2.430 10 0 CEAERO CCC[C@H](C)NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000603582521 347380768 /nfs/dbraw/zinc/38/07/68/347380768.db2.gz WURJRGVEIHLTMZ-YNEHKIRRSA-N 1 0 253.390 2.053 10 0 CEAERO COC1(OC)CC(C[NH3+])(c2c(F)cccc2Cl)C1 ZINC000086035210 179221057 /nfs/dbraw/zinc/22/10/57/179221057.db2.gz BFOWUVLSADVXCX-UHFFFAOYSA-N 1 0 273.735 2.459 10 0 CEAERO CC[C@H]1CC[C@H](n2nnnc2C[NH2+]CC(C)C)[C@@H]1C ZINC000086107391 179230838 /nfs/dbraw/zinc/23/08/38/179230838.db2.gz OOCUTOPODKRZII-AGIUHOORSA-N 1 0 265.405 2.416 10 0 CEAERO CCOCCC[N@@H+]1CCN[C@](C)(c2ccccc2)C1 ZINC000086125627 179235440 /nfs/dbraw/zinc/23/54/40/179235440.db2.gz JVJDMCBINCWILU-INIZCTEOSA-N 1 0 262.397 2.234 10 0 CEAERO CCC[C@H]1CN(CCc2ccc(OC)c(OC)c2)CC[NH2+]1 ZINC000086123837 179236180 /nfs/dbraw/zinc/23/61/80/179236180.db2.gz LHUGMULELWARCG-HNNXBMFYSA-N 1 0 292.423 2.320 10 0 CEAERO c1csc(CN2CC[NH2+]C3(CCCCC3)C2)n1 ZINC000086144189 179237956 /nfs/dbraw/zinc/23/79/56/179237956.db2.gz CDQYQUGDEZOFPI-UHFFFAOYSA-N 1 0 251.399 2.251 10 0 CEAERO COc1ccc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)cc1 ZINC000128508145 187375315 /nfs/dbraw/zinc/37/53/15/187375315.db2.gz ZTYJLZYTJSTNJG-AWEZNQCLSA-N 1 0 271.364 2.418 10 0 CEAERO C[C@@H](c1nccs1)N1CC[NH2+]C2(CCCC2)C1 ZINC000086150523 179240386 /nfs/dbraw/zinc/24/03/86/179240386.db2.gz RMCAMXIVEYOUIM-NSHDSACASA-N 1 0 251.399 2.422 10 0 CEAERO CC[C@@H](COC)[N@@H+]1CCN[C@@](C)(c2ccccc2)C1 ZINC000086150343 179240461 /nfs/dbraw/zinc/24/04/61/179240461.db2.gz QSRGSWVQLFEUEN-JKSUJKDBSA-N 1 0 262.397 2.232 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C(C)C)CN1CCc1ccccn1 ZINC000086155996 179241395 /nfs/dbraw/zinc/24/13/95/179241395.db2.gz RZWMWVRHSLYABP-JKSUJKDBSA-N 1 0 261.413 2.333 10 0 CEAERO CC[C@@H](C)[C@H]1CN(c2cnn(C)c2)[C@H](C(C)C)C[NH2+]1 ZINC000086154174 179241549 /nfs/dbraw/zinc/24/15/49/179241549.db2.gz FASZLCIGJOMJTO-YUELXQCFSA-N 1 0 264.417 2.269 10 0 CEAERO COCCCC[N@@H+]1C[C@H](C(C)C)NC[C@@H]1C(C)C ZINC000086173796 179244893 /nfs/dbraw/zinc/24/48/93/179244893.db2.gz OECNSKAOEPLIJW-HUUCEWRRSA-N 1 0 256.434 2.367 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1CCc1cscn1 ZINC000086175780 179245290 /nfs/dbraw/zinc/24/52/90/179245290.db2.gz IYJGJAIZBCGYQA-ZIAGYGMSSA-N 1 0 267.442 2.394 10 0 CEAERO CC[C@H](C)[C@H]1CN(Cc2nccn2C)[C@@H](CC)C[NH2+]1 ZINC000086175575 179245570 /nfs/dbraw/zinc/24/55/70/179245570.db2.gz COMOXNXMFYFKMM-MELADBBJSA-N 1 0 264.417 2.019 10 0 CEAERO CC(C)[C@@H]1C[NH2+]CCN1CCOC1CCCCC1 ZINC000086177869 179246368 /nfs/dbraw/zinc/24/63/68/179246368.db2.gz JTUUSPDWIPXONG-HNNXBMFYSA-N 1 0 254.418 2.266 10 0 CEAERO CO[C@@H]1CCC[C@H]1[N@@H+]1CCN[C@H](c2ccccc2)C1 ZINC000086146851 179239725 /nfs/dbraw/zinc/23/97/25/179239725.db2.gz KYVYUFLFMLPJPB-ARFHVFGLSA-N 1 0 260.381 2.200 10 0 CEAERO CC[C@H](C)[C@H]1CN(CCc2nc(C)cs2)CC[NH2+]1 ZINC000086148847 179239862 /nfs/dbraw/zinc/23/98/62/179239862.db2.gz XJERFMZFLRNJPR-WCQYABFASA-N 1 0 267.442 2.314 10 0 CEAERO CC(C)[C@@H]1CN[C@@](C)(C2CC2)C[N@@H+]1C1CCOCC1 ZINC000086218766 179250643 /nfs/dbraw/zinc/25/06/43/179250643.db2.gz MCRDTYRNSWCIIH-JKSUJKDBSA-N 1 0 266.429 2.264 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C2CC2)CN1Cc1nc(C)cs1 ZINC000086227046 179252895 /nfs/dbraw/zinc/25/28/95/179252895.db2.gz DJODIWHYSVBUCR-CHWSQXEVSA-N 1 0 265.426 2.414 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C2CC2)CN1Cc1csc(C)n1 ZINC000086226955 179253214 /nfs/dbraw/zinc/25/32/14/179253214.db2.gz SWMYQJYLJIMFDL-UONOGXRCSA-N 1 0 265.426 2.414 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C2CC2)CN1Cc1cnc(C)s1 ZINC000086226744 179253600 /nfs/dbraw/zinc/25/36/00/179253600.db2.gz ONWSBDLJQSNQIE-TZMCWYRMSA-N 1 0 265.426 2.414 10 0 CEAERO COCCCC[N@@H+]1C[C@@H](c2ccccc2)NC[C@@H]1C ZINC000086259394 179258697 /nfs/dbraw/zinc/25/86/97/179258697.db2.gz ZOFYGRUNRXMZRB-HOCLYGCPSA-N 1 0 262.397 2.448 10 0 CEAERO C[C@@H]1CN(c2nc(Br)cs2)[C@@H](C)C[NH2+]1 ZINC000086290971 179265441 /nfs/dbraw/zinc/26/54/41/179265441.db2.gz ZKLFFAIXXXYOFR-RQJHMYQMSA-N 1 0 276.203 2.092 10 0 CEAERO CCOC[C@H](C)[N@@H+]1C[C@H](C2CC2)NC[C@@H]1C(C)C ZINC000086259708 179259320 /nfs/dbraw/zinc/25/93/20/179259320.db2.gz RFVCQBIGLNQTDW-NWANDNLSSA-N 1 0 254.418 2.120 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](C2CC2)CN1C[C@@H]1Cc2ccccc2O1 ZINC000086261709 179259902 /nfs/dbraw/zinc/25/99/02/179259902.db2.gz XEGNWGUZDQMXGL-UHOFOFEASA-N 1 0 272.392 2.062 10 0 CEAERO Cc1cnc(CN2C[C@](C)(C3CC3)[NH2+]C[C@@H]2C(C)C)cn1 ZINC000086263058 179260161 /nfs/dbraw/zinc/26/01/61/179260161.db2.gz YLKFHCRQNNTVIE-IAGOWNOFSA-N 1 0 288.439 2.384 10 0 CEAERO CO[C@H]1CCC[C@H]1[N@@H+]1C[C@H](C(C)(C)C)NC[C@@H]1C ZINC000086261388 179260597 /nfs/dbraw/zinc/26/05/97/179260597.db2.gz RICIGGWOJRBMQN-RFQIPJPRSA-N 1 0 254.418 2.262 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C2CC2)CN1Cc1ncccc1C ZINC000086264927 179260811 /nfs/dbraw/zinc/26/08/11/179260811.db2.gz PWZSEQTVVPEYQA-ZBFHGGJFSA-N 1 0 259.397 2.352 10 0 CEAERO CC(C)[C@@H]1CN[C@](C)(C2CC2)C[N@@H+]1[C@@H]1CCCOC1 ZINC000086265155 179260949 /nfs/dbraw/zinc/26/09/49/179260949.db2.gz WGBBRGIBTJYTGB-PMPSAXMXSA-N 1 0 266.429 2.264 10 0 CEAERO CC[C@H]1C[NH2+]C2(CCCCC2)CN1Cc1nccn1C ZINC000086264840 179261144 /nfs/dbraw/zinc/26/11/44/179261144.db2.gz FPUSCVNCJHZNQV-AWEZNQCLSA-N 1 0 276.428 2.307 10 0 CEAERO C[C@@H]([NH3+])CCNc1nc(Br)cs1 ZINC000086290738 179265491 /nfs/dbraw/zinc/26/54/91/179265491.db2.gz KFERMPXNIUSQSZ-RXMQYKEDSA-N 1 0 250.165 2.055 10 0 CEAERO Cc1ccc(CN2C[C@](C)(C3CC3)[NH2+]C[C@@H]2C)cn1 ZINC000086263744 179261265 /nfs/dbraw/zinc/26/12/65/179261265.db2.gz HBBNRZIUSUPKQL-XJKSGUPXSA-N 1 0 259.397 2.352 10 0 CEAERO COc1cc(OC)cc(N2CCC[NH2+][C@@H](C3CC3)C2)c1 ZINC000086269482 179261847 /nfs/dbraw/zinc/26/18/47/179261847.db2.gz ZSUGIIVKQZTTDG-MRXNPFEDSA-N 1 0 276.380 2.282 10 0 CEAERO CN(CC(C)(C)O)[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000086273461 179262953 /nfs/dbraw/zinc/26/29/53/179262953.db2.gz JXXLJROEZSAIDM-QMMMGPOBSA-N 1 0 262.806 2.104 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1Nc1nc(Br)cs1 ZINC000086290745 179265182 /nfs/dbraw/zinc/26/51/82/179265182.db2.gz VGCNXQNZDUIXQU-RITPCOANSA-N 1 0 262.176 2.197 10 0 CEAERO CCC[C@@H](C[NH3+])[C@@H](O)c1ccc(Br)o1 ZINC000086324704 179271435 /nfs/dbraw/zinc/27/14/35/179271435.db2.gz GLVCJXLMVMPJLI-OIBJUYFYSA-N 1 0 262.147 2.451 10 0 CEAERO COc1cc(F)ccc1N1CCC[NH2+]C(C)(C)C1 ZINC000086290794 179265624 /nfs/dbraw/zinc/26/56/24/179265624.db2.gz IKMUDQUILQHEHJ-UHFFFAOYSA-N 1 0 252.333 2.413 10 0 CEAERO C[N@H+](C[C@@H](O)CN1CCCC[C@H]1c1nccs1)C1CC1 ZINC000336836042 365905236 /nfs/dbraw/zinc/90/52/36/365905236.db2.gz KHNNBIKUMXLIQB-KGLIPLIRSA-N 1 0 295.452 2.125 10 0 CEAERO CC[C@]1(C)CN(CCc2nc(C)cs2)CCC[NH2+]1 ZINC000086296774 179267328 /nfs/dbraw/zinc/26/73/28/179267328.db2.gz KDJZNHBSNYCBKV-CQSZACIVSA-N 1 0 267.442 2.458 10 0 CEAERO Cc1csc(CCN2CCC[NH2+][C@H](C3CC3)C2)n1 ZINC000086296796 179267488 /nfs/dbraw/zinc/26/74/88/179267488.db2.gz SQHIRVHYEKZZGH-ZDUSSCGKSA-N 1 0 265.426 2.068 10 0 CEAERO Cc1ncsc1CN1CCC[NH2+][C@@](C)(C2CC2)C1 ZINC000086297136 179267559 /nfs/dbraw/zinc/26/75/59/179267559.db2.gz QSVQJJTYKONMST-CQSZACIVSA-N 1 0 265.426 2.416 10 0 CEAERO CCC[C@H]1CN(Cc2scnc2C)CCC[NH2+]1 ZINC000086297116 179268287 /nfs/dbraw/zinc/26/82/87/179268287.db2.gz AKEJWZSVVXJUEF-LBPRGKRZSA-N 1 0 253.415 2.416 10 0 CEAERO CSC[C@H](C)C[N@@H+]1CCCN[C@@](C)(C2CC2)C1 ZINC000086298545 179268455 /nfs/dbraw/zinc/26/84/55/179268455.db2.gz HGPGXELTGTXERP-TZMCWYRMSA-N 1 0 256.459 2.450 10 0 CEAERO C[NH2+]Cc1cccc(NC(=O)c2ccncc2F)c1 ZINC000086316723 179269896 /nfs/dbraw/zinc/26/98/96/179269896.db2.gz YVTKORBWKLOUKC-UHFFFAOYSA-N 1 0 259.284 2.192 10 0 CEAERO COc1ccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000128611006 187379824 /nfs/dbraw/zinc/37/98/24/187379824.db2.gz TYZAWJDRMWHRQZ-HNNXBMFYSA-N 1 0 286.379 2.199 10 0 CEAERO Brc1cccc(OCCC2C[NH2+]C2)c1 ZINC000086395094 179285018 /nfs/dbraw/zinc/28/50/18/179285018.db2.gz MYMMZZSOWXMAFW-UHFFFAOYSA-N 1 0 256.143 2.437 10 0 CEAERO CC[C@@H]1CN(C(=O)c2occc2C)[C@@H](CC)C[NH2+]1 ZINC000086446777 179295990 /nfs/dbraw/zinc/29/59/90/179295990.db2.gz PBOPWVWTKNJDEX-NEPJUHHUSA-N 1 0 250.342 2.191 10 0 CEAERO CC[NH2+][C@H]1CCCc2sc(N(C)CCOC)nc21 ZINC000086443834 179293648 /nfs/dbraw/zinc/29/36/48/179293648.db2.gz MLQGPBVBUWXURW-JTQLQIEISA-N 1 0 269.414 2.213 10 0 CEAERO Cn1cc(C[NH3+])c(-c2cccc(Br)c2)n1 ZINC000086443025 179293661 /nfs/dbraw/zinc/29/36/61/179293661.db2.gz LHGGMGOHSLLINS-UHFFFAOYSA-N 1 0 266.142 2.308 10 0 CEAERO C[NH+](C)C1CCN(c2nc3c(s2)CCC[C@@H]3O)CC1 ZINC000086444463 179294802 /nfs/dbraw/zinc/29/48/02/179294802.db2.gz RLKYSKGGFVBVAH-NSHDSACASA-N 1 0 281.425 2.043 10 0 CEAERO CC(C)(C)[NH+]1CCN(c2nc3c(s2)CCC[C@H]3O)CC1 ZINC000086444673 179294863 /nfs/dbraw/zinc/29/48/63/179294863.db2.gz IKUXDSZDKRZBGL-LLVKDONJSA-N 1 0 295.452 2.433 10 0 CEAERO CC[C@@H]1CN(C(=O)c2scnc2C)[C@@H](CC)C[NH2+]1 ZINC000086448146 179295516 /nfs/dbraw/zinc/29/55/16/179295516.db2.gz ZGKQUMOEDDPVJN-MNOVXSKESA-N 1 0 267.398 2.054 10 0 CEAERO Cc1nn(C)c(C)c1-c1nc2c(s1)CCC[C@@H]2[NH3+] ZINC000086440350 179292852 /nfs/dbraw/zinc/29/28/52/179292852.db2.gz NHIIIHMQXVLCBV-VIFPVBQESA-N 1 0 262.382 2.497 10 0 CEAERO CN(CCc1cccs1)c1nc(C[NH3+])cs1 ZINC000086442032 179293366 /nfs/dbraw/zinc/29/33/66/179293366.db2.gz PUJXFDGSNVTFTR-UHFFFAOYSA-N 1 0 253.396 2.342 10 0 CEAERO C[NH+](C)C(C)(C)CNc1ncc(N)cc1Br ZINC000086481169 179300926 /nfs/dbraw/zinc/30/09/26/179300926.db2.gz WSDJCAHENDOLQK-UHFFFAOYSA-N 1 0 287.205 2.178 10 0 CEAERO c1ccc2c(c1)C[C@H]2c1noc(CC[NH2+]C2CC2)n1 ZINC000086486275 179301653 /nfs/dbraw/zinc/30/16/53/179301653.db2.gz DDDIHDWQWKEVOG-CYBMUJFWSA-N 1 0 255.321 2.052 10 0 CEAERO CC(C)C[NH2+]Cc1cc(=O)[nH]c([C@@H]2Cc3ccccc32)n1 ZINC000086492505 179302510 /nfs/dbraw/zinc/30/25/10/179302510.db2.gz PYMYUUYZBUYLOE-OAHLLOKOSA-N 1 0 283.375 2.204 10 0 CEAERO [NH3+][C@@H](Cc1nc([C@H]2Cc3ccccc32)no1)C1CC1 ZINC000086492026 179302583 /nfs/dbraw/zinc/30/25/83/179302583.db2.gz JSWMUCMZQFXBIE-STQMWFEESA-N 1 0 255.321 2.037 10 0 CEAERO C[NH2+][C@H](C)c1ccccc1NS(=O)(=O)CC1CC1 ZINC000086497136 179303033 /nfs/dbraw/zinc/30/30/33/179303033.db2.gz XCOBSZSBOIYSMC-SNVBAGLBSA-N 1 0 268.382 2.119 10 0 CEAERO CC[C@@H]1CN(CC(=O)Nc2cccc(F)c2)[C@@H](CC)C[NH2+]1 ZINC000086463817 179296289 /nfs/dbraw/zinc/29/62/89/179296289.db2.gz YOHPNQCIKOFESG-HIFRSBDPSA-N 1 0 293.386 2.227 10 0 CEAERO CC[C@@]1(c2ccc(Br)cc2)CNC(=[NH2+])N1C ZINC000086458420 179296443 /nfs/dbraw/zinc/29/64/43/179296443.db2.gz CXAALTVKHZSHBI-LBPRGKRZSA-N 1 0 282.185 2.315 10 0 CEAERO CC(C)Oc1cccc(C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)c1 ZINC000086467423 179297991 /nfs/dbraw/zinc/29/79/91/179297991.db2.gz TWZJVUPBZGDGBF-OLZOCXBDSA-N 1 0 276.380 2.296 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1CCS(=O)(=O)c1cccs1 ZINC000086548447 179307255 /nfs/dbraw/zinc/30/72/55/179307255.db2.gz QDGDAJMIFRRKFU-UWVGGRQHSA-N 1 0 259.396 2.039 10 0 CEAERO CC(C)c1ccc(C[C@@H]([NH3+])[C@H]2CCS(=O)(=O)C2)cc1 ZINC000086566614 179307958 /nfs/dbraw/zinc/30/79/58/179307958.db2.gz OJWBXGGMGLHHPC-LSDHHAIUSA-N 1 0 281.421 2.115 10 0 CEAERO CO[C@@H](C)[C@@H]([NH3+])Cc1cc(Br)ccc1F ZINC000086575811 179308394 /nfs/dbraw/zinc/30/83/94/179308394.db2.gz LCZULLONXZQNMG-CPCISQLKSA-N 1 0 276.149 2.493 10 0 CEAERO COc1ccc2[nH]c(-c3c[nH]c(C4([NH3+])CCC4)n3)nc2c1 ZINC000086576143 179308466 /nfs/dbraw/zinc/30/84/66/179308466.db2.gz LOTXEXLLEUZNDK-UHFFFAOYSA-N 1 0 283.335 2.300 10 0 CEAERO CCc1nn(C)c(C/C=C/CC[NH3+])c1Br ZINC000086570969 179308729 /nfs/dbraw/zinc/30/87/29/179308729.db2.gz NCWJSZIWKUFXCU-SNAWJCMRSA-N 1 0 272.190 2.193 10 0 CEAERO Cc1cnc([C@H](C)NC(=O)[C@](C)([NH3+])c2ccccc2)o1 ZINC000231744763 539580994 /nfs/dbraw/zinc/58/09/94/539580994.db2.gz JCVSQRRRLWASNI-XHDPSFHLSA-N 1 0 273.336 2.034 10 0 CEAERO COc1ccccc1C1(C[NH3+])CC2(C1)CCOCC2 ZINC000086539812 179306906 /nfs/dbraw/zinc/30/69/06/179306906.db2.gz XHSWBYZAWNHBEO-UHFFFAOYSA-N 1 0 261.365 2.482 10 0 CEAERO CCCn1c2ccc(C[NH3+])cc2nc1-c1cnn(C)c1 ZINC000086641390 179314721 /nfs/dbraw/zinc/31/47/21/179314721.db2.gz FCQNPAJRUINPEE-UHFFFAOYSA-N 1 0 269.352 2.306 10 0 CEAERO [NH3+][C@]1(CO)CC[C@H](Sc2ncccc2Cl)C1 ZINC000086637091 179314790 /nfs/dbraw/zinc/31/47/90/179314790.db2.gz UUPZHSFSOWPPIY-GZMMTYOYSA-N 1 0 258.774 2.069 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](c2ccc3c(c2)OCCCO3)OC1 ZINC000086633809 179314919 /nfs/dbraw/zinc/31/49/19/179314919.db2.gz CQEYFQXNXMJFAZ-XHDPSFHLSA-N 1 0 263.337 2.145 10 0 CEAERO COc1ccc([C@H]2C[NH2+]C[C@@H](C)CO2)cc1OC ZINC000086633712 179314947 /nfs/dbraw/zinc/31/49/47/179314947.db2.gz JOULQLPHHPIFEP-QMTHXVAHSA-N 1 0 251.326 2.001 10 0 CEAERO CCn1c2ccc(C[NH3+])cc2nc1-c1c[nH]nc1C ZINC000086641918 179315292 /nfs/dbraw/zinc/31/52/92/179315292.db2.gz KHELJXZSVUJIBS-UHFFFAOYSA-N 1 0 255.325 2.213 10 0 CEAERO CCOC(=O)[C@](C)([NH3+])CCSc1nc(C)c(C)c(C)n1 ZINC000086644640 179315989 /nfs/dbraw/zinc/31/59/89/179315989.db2.gz QLFAIKWYVBAWLA-CQSZACIVSA-N 1 0 297.424 2.165 10 0 CEAERO COC[C@H]([NH2+]Cc1cn(C)nc1C(C)C)C(C)C ZINC000086696462 179320882 /nfs/dbraw/zinc/32/08/82/179320882.db2.gz WHSXPLKKQPWOHJ-ZDUSSCGKSA-N 1 0 253.390 2.304 10 0 CEAERO CCC(CC)(CC)NS(=O)(=O)CCC1CC[NH2+]CC1 ZINC000086645555 179316593 /nfs/dbraw/zinc/31/65/93/179316593.db2.gz OBVKFAMOUVORSX-UHFFFAOYSA-N 1 0 290.473 2.264 10 0 CEAERO CS(=O)(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000086672035 179317627 /nfs/dbraw/zinc/31/76/27/179317627.db2.gz BXOGUJYMFKBKHH-CHWSQXEVSA-N 1 0 287.812 2.395 10 0 CEAERO CS(=O)(=O)[C@@H]1CCC[C@H]1[NH2+]CCC1=CCCCC1 ZINC000086670812 179318076 /nfs/dbraw/zinc/31/80/76/179318076.db2.gz KDQZZFLZXKQNOZ-ZIAGYGMSSA-N 1 0 271.426 2.432 10 0 CEAERO CS(=O)(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000086675632 179318369 /nfs/dbraw/zinc/31/83/69/179318369.db2.gz UEGJZJYQRRIVLU-CHWSQXEVSA-N 1 0 289.347 2.020 10 0 CEAERO CC1(C[NH2+][C@H]2CCC[C@H]2S(C)(=O)=O)CCCC1 ZINC000086676103 179319594 /nfs/dbraw/zinc/31/95/94/179319594.db2.gz DUDSCSMIFCLELC-NWDGAFQWSA-N 1 0 259.415 2.122 10 0 CEAERO C[NH+](C)C[C@@H]1CCCN1Cc1cnc(Cl)s1 ZINC000086776825 179329088 /nfs/dbraw/zinc/32/90/88/179329088.db2.gz OLWRWUSKRCCICE-VIFPVBQESA-N 1 0 259.806 2.323 10 0 CEAERO CCC1CCC(C[NH3+])(O[C@@H](C)C(=O)NCC(C)C)CC1 ZINC000086713178 179322735 /nfs/dbraw/zinc/32/27/35/179322735.db2.gz AFLMMIQWCXRHFJ-HLIUYOAVSA-N 1 0 284.444 2.461 10 0 CEAERO CC(C)C1CCC(C[NH3+])(OCC(=O)N(C)C2CC2)CC1 ZINC000086713482 179322930 /nfs/dbraw/zinc/32/29/30/179322930.db2.gz UHTGVUXDMMVXKT-UHFFFAOYSA-N 1 0 282.428 2.168 10 0 CEAERO CC(C)C1CCC(C[NH3+])(OCC(=O)N2CCCC2)CC1 ZINC000086713528 179322968 /nfs/dbraw/zinc/32/29/68/179322968.db2.gz ZKUMMNCDCHXKAM-UHFFFAOYSA-N 1 0 282.428 2.169 10 0 CEAERO Cc1cnn([C@H]2CCC[N@H+](Cc3ccncc3)C2)c1 ZINC000130410013 365953063 /nfs/dbraw/zinc/95/30/63/365953063.db2.gz LCSRACIYSIWCMK-HNNXBMFYSA-N 1 0 256.353 2.424 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000128704348 187385071 /nfs/dbraw/zinc/38/50/71/187385071.db2.gz IZFPFTGPDLWUJC-RBDSIQFVSA-N 1 0 294.345 2.454 10 0 CEAERO C[NH2+]Cc1cnc(-c2ncc(Cl)cc2Cl)[nH]1 ZINC000086784442 179332158 /nfs/dbraw/zinc/33/21/58/179332158.db2.gz WNSRDHWFQYOIKS-UHFFFAOYSA-N 1 0 257.124 2.498 10 0 CEAERO CCC[NH+]1CCC([NH2+][C@H]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000086786680 179332891 /nfs/dbraw/zinc/33/28/91/179332891.db2.gz SHROEXUGEZWSPC-JSGCOSHPSA-N 1 0 268.401 2.094 10 0 CEAERO C[N@@H+]1CCC[C@@](N)(c2nc3c(s2)CCCC3)CC1 ZINC000086833632 179349321 /nfs/dbraw/zinc/34/93/21/179349321.db2.gz SGKSHNLITINQCR-AWEZNQCLSA-N 1 0 265.426 2.292 10 0 CEAERO CCC([NH3+])(CC)c1nnc2ccc(Br)cn21 ZINC000086811506 179341540 /nfs/dbraw/zinc/34/15/40/179341540.db2.gz VDFWNDWGVWGNLA-UHFFFAOYSA-N 1 0 283.173 2.466 10 0 CEAERO CC[N@@H+]1CCC[C@H](Nc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000086835434 179350036 /nfs/dbraw/zinc/35/00/36/179350036.db2.gz BGKOGRZEINDRGP-ZDUSSCGKSA-N 1 0 296.436 2.376 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000086836297 179351484 /nfs/dbraw/zinc/35/14/84/179351484.db2.gz GEUZIRLIYSVIPV-GFCCVEGCSA-N 1 0 289.379 2.304 10 0 CEAERO CC[N@@H+]1CCC[C@H](NCc2ccc(OC)nc2)CC1 ZINC000086836784 179351509 /nfs/dbraw/zinc/35/15/09/179351509.db2.gz FNDDCJYUUPBNFV-AWEZNQCLSA-N 1 0 263.385 2.054 10 0 CEAERO CC[N@@H+]1CCC[C@]([NH2+]Cc2cccs2)(C(=O)[O-])CC1 ZINC000086850305 179357705 /nfs/dbraw/zinc/35/77/05/179357705.db2.gz KQDDIXPQTSNUHE-CQSZACIVSA-N 1 0 282.409 2.167 10 0 CEAERO CC(C)[N@@H+]1CCC[C@](O)(c2cncc(F)c2)CC1 ZINC000086853031 179359545 /nfs/dbraw/zinc/35/95/45/179359545.db2.gz HIMWLEONYYJASA-CQSZACIVSA-N 1 0 252.333 2.303 10 0 CEAERO CCN[C@]1(c2nccs2)CCC[N@H+](CC)CC1 ZINC000086851471 179359896 /nfs/dbraw/zinc/35/98/96/179359896.db2.gz WKUAASSJSXVSHB-CYBMUJFWSA-N 1 0 253.415 2.454 10 0 CEAERO CCOC(=O)[C@H](C(C)C)[C@]1(O)CCC[N@H+](CC)CC1 ZINC000086868359 179360356 /nfs/dbraw/zinc/36/03/56/179360356.db2.gz XITDIVGQPTUEOL-ZFWWWQNUSA-N 1 0 271.401 2.059 10 0 CEAERO CC(C)[N@@H+]1CCC[C@](O)(c2cc(Cl)cnc2N)CC1 ZINC000086867745 179360464 /nfs/dbraw/zinc/36/04/64/179360464.db2.gz NWYORIBBYVZOKB-CQSZACIVSA-N 1 0 283.803 2.399 10 0 CEAERO CCC[N@@H+]1CCC[C@@H]([NH+]2CC[C@@](CC)(C(=O)[O-])C2)CC1 ZINC000086869112 179361471 /nfs/dbraw/zinc/36/14/71/179361471.db2.gz GILFVHGLPVIOJT-GDBMZVCRSA-N 1 0 282.428 2.438 10 0 CEAERO CC[N@@H+]1CCC[C@@H]([NH+]2CCC[C@@](C)(C(=O)[O-])C2)CC1 ZINC000086869132 179362081 /nfs/dbraw/zinc/36/20/81/179362081.db2.gz VMJLWWZEZOGMFG-UKRRQHHQSA-N 1 0 268.401 2.048 10 0 CEAERO CCC[C@@H]([NH2+][C@H]1CCC[N@H+](CCC)CC1)C(=O)[O-] ZINC000086868675 179362612 /nfs/dbraw/zinc/36/26/12/179362612.db2.gz PXJJWANKMOMXFV-QWHCGFSZSA-N 1 0 256.390 2.094 10 0 CEAERO CCS(=O)(=O)CCC[C@@]1([NH3+])CCCC(C)(C)C1 ZINC000086977473 179372696 /nfs/dbraw/zinc/37/26/96/179372696.db2.gz PTQFEGJHCLLICJ-ZDUSSCGKSA-N 1 0 261.431 2.499 10 0 CEAERO CCS(=O)(=O)CCC[C@H](Cc1ccccc1F)[NH2+]C ZINC000086979075 179372802 /nfs/dbraw/zinc/37/28/02/179372802.db2.gz WSBVATJUYFSWEP-CYBMUJFWSA-N 1 0 287.400 2.171 10 0 CEAERO CC[NH2+]C[C@@H](CCCS(=O)(=O)CC)CC(C)C ZINC000086980789 179372912 /nfs/dbraw/zinc/37/29/12/179372912.db2.gz YBOOTKUBGUMSIX-ZDUSSCGKSA-N 1 0 263.447 2.473 10 0 CEAERO CC[C@@](C)([NH3+])c1nc([C@H]2CSCCS2)no1 ZINC000086981388 179372950 /nfs/dbraw/zinc/37/29/50/179372950.db2.gz UJKXXCYWRCKPLX-GMSGAONNSA-N 1 0 259.400 2.175 10 0 CEAERO Cc1nn(C)c(/C=C2\CC[C@H]([NH3+])C2)c1Br ZINC000086883073 179365443 /nfs/dbraw/zinc/36/54/43/179365443.db2.gz ODBUGWQYHITSQR-ORZBULNSSA-N 1 0 270.174 2.386 10 0 CEAERO CCOC(=O)[C@@]1(N2CCC[NH2+]CC2)CCC[C@H](C)CC1 ZINC000086891880 179366428 /nfs/dbraw/zinc/36/64/28/179366428.db2.gz RWJDIKZZKDYZMM-GOEBONIOSA-N 1 0 282.428 2.184 10 0 CEAERO COC(=O)[C@]1(N2CCC[NH2+]CC2)CCCC(C)(C)CC1 ZINC000086915583 179367202 /nfs/dbraw/zinc/36/72/02/179367202.db2.gz QKWUDKQMAMVFRF-INIZCTEOSA-N 1 0 282.428 2.184 10 0 CEAERO CC(C)[C@@H]1CCC[C@](C(=O)[O-])([N@@H+]2CCC[NH2+]CC2)CC1 ZINC000086949801 179368724 /nfs/dbraw/zinc/36/87/24/179368724.db2.gz ZLVMFCGVSDRUCV-ZBFHGGJFSA-N 1 0 282.428 2.341 10 0 CEAERO COC[C@H](C)N(C)Cc1csc(C[NH2+]CC(C)C)n1 ZINC000052511280 522596682 /nfs/dbraw/zinc/59/66/82/522596682.db2.gz LFVFTDWWEMIHNU-LBPRGKRZSA-N 1 0 285.457 2.355 10 0 CEAERO CCn1nccc1[C@@H]([NH2+]C)[C@H]1CSCCS1 ZINC000086984814 179373828 /nfs/dbraw/zinc/37/38/28/179373828.db2.gz USRAECFTUZKURR-GHMZBOCLSA-N 1 0 257.428 2.012 10 0 CEAERO COCCCc1noc([C@@]2([NH3+])CCC[C@@H](C)C2)n1 ZINC000086963187 179369638 /nfs/dbraw/zinc/36/96/38/179369638.db2.gz XXNUHSKEXTYEHX-ZWNOBZJWSA-N 1 0 253.346 2.013 10 0 CEAERO CCS(=O)(=O)CCCOc1ccc(C)cc1[C@@H](C)[NH2+]C ZINC000086972890 179371279 /nfs/dbraw/zinc/37/12/79/179371279.db2.gz XLCSSJZLFJTWPR-CYBMUJFWSA-N 1 0 299.436 2.479 10 0 CEAERO CC[C@@](C)(O)C[NH2+][C@@H]1CCOc2ccc(OC)cc21 ZINC000087012102 179378944 /nfs/dbraw/zinc/37/89/44/179378944.db2.gz KGOUWHBNFBXYMA-UKRRQHHQSA-N 1 0 265.353 2.269 10 0 CEAERO CC(C)(O)C[NH2+]C[C@H](O)c1cc(Cl)ccc1Cl ZINC000087018302 179380897 /nfs/dbraw/zinc/38/08/97/179380897.db2.gz FTDHLWLQYRZMFN-NSHDSACASA-N 1 0 278.179 2.387 10 0 CEAERO Cc1cc([C@@H]([NH3+])[C@H]2COCCO2)sc1Br ZINC000087019100 179381038 /nfs/dbraw/zinc/38/10/38/179381038.db2.gz PNSDEEJAXHEIHJ-APPZFPTMSA-N 1 0 292.198 2.234 10 0 CEAERO CC[C@](C)(O)C[NH2+][C@H](C)C(=O)Nc1ccc(C)cc1 ZINC000087027808 179381650 /nfs/dbraw/zinc/38/16/50/179381650.db2.gz MLBCDVDRQNRMQA-DOMZBBRYSA-N 1 0 264.369 2.073 10 0 CEAERO CCC(O)(CC)C[NH2+]C[C@H](O)COC[C@@H]1CC=CC[C@@H]1C ZINC000087028437 179381722 /nfs/dbraw/zinc/38/17/22/179381722.db2.gz BOFPYWOXZWNEGZ-JYJNAYRXSA-N 1 0 299.455 2.107 10 0 CEAERO CC(C)[NH2+]Cc1cnc([C@H]2CSCCS2)[nH]1 ZINC000086985458 179374756 /nfs/dbraw/zinc/37/47/56/179374756.db2.gz SZGGLKMRQLKAIX-SNVBAGLBSA-N 1 0 257.428 2.429 10 0 CEAERO CCO[C@H]1CCCN([C@@H](C[NH3+])c2ccc(OC)c(F)c2)C1 ZINC000086991909 179375091 /nfs/dbraw/zinc/37/50/91/179375091.db2.gz SAGURROAAZEFGL-ZFWWWQNUSA-N 1 0 296.386 2.335 10 0 CEAERO CC1(C)CCC(O)(C[NH2+][C@@H]2CN3CCC2CC3)CC1 ZINC000087048156 179387918 /nfs/dbraw/zinc/38/79/18/179387918.db2.gz OVDCKZRGVJBUQO-CQSZACIVSA-N 1 0 266.429 2.002 10 0 CEAERO C[C@@H]1CCC[C@@](O)(C[NH2+]C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000087052349 179388855 /nfs/dbraw/zinc/38/88/55/179388855.db2.gz XRSFLOSKWRPSPG-WBMJQRKESA-N 1 0 298.427 2.137 10 0 CEAERO C[C@@H]1CCC[C@](O)(C[NH2+]C[C@@H]2CCCCN2C)C1 ZINC000087051472 179388954 /nfs/dbraw/zinc/38/89/54/179388954.db2.gz GWNDJVHDYYZJQR-QLFBSQMISA-N 1 0 254.418 2.002 10 0 CEAERO CCSCc1noc(CC[C@@H]2CCCC[NH2+]2)n1 ZINC000087105351 179394739 /nfs/dbraw/zinc/39/47/39/179394739.db2.gz DLWOCGPPUIUCDJ-JTQLQIEISA-N 1 0 255.387 2.397 10 0 CEAERO Cc1cccc(NC(=O)C[NH2+]CC2(O)CCC(C)CC2)c1 ZINC000087063019 179389477 /nfs/dbraw/zinc/38/94/77/179389477.db2.gz CLVCBIABLAWSAP-UHFFFAOYSA-N 1 0 290.407 2.464 10 0 CEAERO CC(C)n1ccc(C[NH2+]C[C@]2(O)CCC[C@H](C)C2)n1 ZINC000087064305 179389972 /nfs/dbraw/zinc/38/99/72/179389972.db2.gz FJVNCKXLYJYXGV-ZFWWWQNUSA-N 1 0 265.401 2.495 10 0 CEAERO CCC1CCC(O)(C[NH2+][C@H](C)C(=O)NC2CCCC2)CC1 ZINC000087065770 179390002 /nfs/dbraw/zinc/39/00/02/179390002.db2.gz DHZAWRWPFDSXRE-TUBUQKNSSA-N 1 0 296.455 2.355 10 0 CEAERO CCOC(=O)[C@H](C)C[NH2+]CC1(O)CCC(C)(C)CC1 ZINC000087063681 179390009 /nfs/dbraw/zinc/39/00/09/179390009.db2.gz FFLJQUSCTOVCQR-GFCCVEGCSA-N 1 0 271.401 2.107 10 0 CEAERO C[C@H]1CCC[C@@](O)(C[NH2+]CCCOCC(F)(F)F)C1 ZINC000087064651 179390131 /nfs/dbraw/zinc/39/01/31/179390131.db2.gz CKTQFVMPTVVCSZ-RYUDHWBXSA-N 1 0 283.334 2.486 10 0 CEAERO CC1(C)CCC(O)(C[NH2+]CCOCC(F)(F)F)CC1 ZINC000087063673 179390203 /nfs/dbraw/zinc/39/02/03/179390203.db2.gz QSXKAJGATAGTDC-UHFFFAOYSA-N 1 0 283.334 2.486 10 0 CEAERO C[C@@H]1CCC[C@](O)(C[NH2+]CC(=O)Nc2cccc(F)c2)C1 ZINC000087064339 179390215 /nfs/dbraw/zinc/39/02/15/179390215.db2.gz GOFUPOJWVJPOGE-MLGOLLRUSA-N 1 0 294.370 2.295 10 0 CEAERO Cc1ccccc1NC(=O)C[NH2+]C[C@]1(O)CCC[C@H](C)C1 ZINC000087065620 179390277 /nfs/dbraw/zinc/39/02/77/179390277.db2.gz SUSFALXEEAFXAH-GUYCJALGSA-N 1 0 290.407 2.464 10 0 CEAERO C[C@@H]1CCC[C@](O)(C[NH2+]CC(=O)Nc2ccccc2)C1 ZINC000087065148 179390317 /nfs/dbraw/zinc/39/03/17/179390317.db2.gz UQYWXIOIZWOXHR-CZUORRHYSA-N 1 0 276.380 2.156 10 0 CEAERO C[C@@H](CC[NH3+])CCC(=O)NCC1(O)CCC(C)(C)CC1 ZINC000087068900 179391204 /nfs/dbraw/zinc/39/12/04/179391204.db2.gz OVPCIGBEZGQYAK-CYBMUJFWSA-N 1 0 284.444 2.199 10 0 CEAERO CCC1CCC(O)(CNC(=O)CC[C@@H](C)CC[NH3+])CC1 ZINC000087070312 179391580 /nfs/dbraw/zinc/39/15/80/179391580.db2.gz FAACYRDWVLHROW-VQCLRJIVSA-N 1 0 284.444 2.199 10 0 CEAERO CC[NH2+][C@@H](CCCS(C)(=O)=O)CSC1CCCC1 ZINC000087145338 179397608 /nfs/dbraw/zinc/39/76/08/179397608.db2.gz VZNOQEHHHNSJTQ-LBPRGKRZSA-N 1 0 293.498 2.465 10 0 CEAERO O=C(Nc1ccc(Cl)c(Br)c1)C1C[NH2+]C1 ZINC000087153090 179398243 /nfs/dbraw/zinc/39/82/43/179398243.db2.gz BLQUBNJHYXZQRX-UHFFFAOYSA-N 1 0 289.560 2.260 10 0 CEAERO CC[NH2+][C@@H](CCCS(C)(=O)=O)CSCC(C)C ZINC000087123738 179396044 /nfs/dbraw/zinc/39/60/44/179396044.db2.gz QUFNJWKUYYFYGV-LBPRGKRZSA-N 1 0 281.487 2.179 10 0 CEAERO [NH3+]C[C@@H](c1ccccc1Cl)[C@@H](O)C1CCOCC1 ZINC000087347928 179415065 /nfs/dbraw/zinc/41/50/65/179415065.db2.gz WIEALSGCGFRQDM-JSGCOSHPSA-N 1 0 269.772 2.170 10 0 CEAERO COc1ccc([C@H](C[NH3+])[C@@H](O)c2ccoc2C)cc1 ZINC000087353936 179415640 /nfs/dbraw/zinc/41/56/40/179415640.db2.gz VGFYSTOCEBHYGB-GJZGRUSLSA-N 1 0 261.321 2.373 10 0 CEAERO Cc1[nH]c2ccc(C(=O)N[C@@H](C[NH3+])C(C)C)cc2c1C ZINC000087403081 179419622 /nfs/dbraw/zinc/41/96/22/179419622.db2.gz VETVFCBMNSSZRD-HNNXBMFYSA-N 1 0 273.380 2.498 10 0 CEAERO Cc1ccc(C(=O)N[C@H](C[NH3+])C(C)C)cc1Cl ZINC000087403595 179419665 /nfs/dbraw/zinc/41/96/65/179419665.db2.gz HECPSRSATCGOBV-GFCCVEGCSA-N 1 0 254.761 2.362 10 0 CEAERO CCC[C@@H](C[NH3+])NS(=O)(=O)c1cccc(Cl)c1C ZINC000087404417 179419927 /nfs/dbraw/zinc/41/99/27/179419927.db2.gz HGSJUQNBRQKKPU-JTQLQIEISA-N 1 0 290.816 2.054 10 0 CEAERO CCC[C@H](C[NH3+])Nc1ccc(C(N)=O)c(C(F)(F)F)c1 ZINC000087405473 179419931 /nfs/dbraw/zinc/41/99/31/179419931.db2.gz ZXDCGORTNCKUCC-SECBINFHSA-N 1 0 289.301 2.344 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)N1CCc2ccc(F)cc21 ZINC000232719474 539634853 /nfs/dbraw/zinc/63/48/53/539634853.db2.gz HHMIAHUQJPPCGF-GFCCVEGCSA-N 1 0 250.317 2.088 10 0 CEAERO CC(C)(C)c1nsc(NC[C@H]2CCC[NH2+]C2)n1 ZINC000087642473 179462281 /nfs/dbraw/zinc/46/22/81/179462281.db2.gz QBOIGIZLNJTPPL-VIFPVBQESA-N 1 0 254.403 2.247 10 0 CEAERO CCCc1nsc(N2Cc3ccccc3C[C@H]2C[NH3+])n1 ZINC000087643644 179462784 /nfs/dbraw/zinc/46/27/84/179462784.db2.gz IUBWIZRBXGSZQL-ZDUSSCGKSA-N 1 0 288.420 2.381 10 0 CEAERO C[C@H](CCC[C@H](C)[NH3+])c1nc(-c2ncccn2)no1 ZINC000087664306 179467138 /nfs/dbraw/zinc/46/71/38/179467138.db2.gz RFDTVNBQYJIVQI-ZJUUUORDSA-N 1 0 261.329 2.148 10 0 CEAERO COc1ncccc1NC(=O)CCC(C)(C)CC[NH3+] ZINC000087693982 179471217 /nfs/dbraw/zinc/47/12/17/179471217.db2.gz ITXLRPBOGTYDHE-UHFFFAOYSA-N 1 0 265.357 2.184 10 0 CEAERO CCOC(=O)C(C)(C)C[C@@H]([NH3+])c1ccc2c(c1)CC(=O)N2 ZINC000087721137 179477240 /nfs/dbraw/zinc/47/72/40/179477240.db2.gz HOKAVPMTQNWBKZ-GFCCVEGCSA-N 1 0 290.363 2.160 10 0 CEAERO CCCc1ccc(CCOCC[NH2+]CCOC)cc1 ZINC000087730597 179479203 /nfs/dbraw/zinc/47/92/03/179479203.db2.gz FYJHZTOOYNOGMU-UHFFFAOYSA-N 1 0 265.397 2.434 10 0 CEAERO COc1ccc([C@](O)([C@H](C)[NH3+])C(F)(F)F)c(C)c1 ZINC000087753612 179482043 /nfs/dbraw/zinc/48/20/43/179482043.db2.gz CCFWNVZRLOJZCW-GZMMTYOYSA-N 1 0 263.259 2.101 10 0 CEAERO O=c1cc(C[NH2+]C[C@@H]2CCCO2)c2ccccc2[nH]1 ZINC000104166430 185915332 /nfs/dbraw/zinc/91/53/32/185915332.db2.gz IDKIEDMXTNSXGB-LBPRGKRZSA-N 1 0 258.321 2.209 10 0 CEAERO CCCOc1cccc(NC(=O)[C@@H](CC)C[NH3+])c1 ZINC000087518999 179439092 /nfs/dbraw/zinc/43/90/92/179439092.db2.gz CXDIVIRJXJQPJU-NSHDSACASA-N 1 0 250.342 2.399 10 0 CEAERO Cc1cc(-c2nnco2)ccc1NC(=O)[C@@H](C[NH3+])C(C)C ZINC000087522693 179440161 /nfs/dbraw/zinc/44/01/61/179440161.db2.gz AZSUPQIRBGCPIV-LBPRGKRZSA-N 1 0 288.351 2.214 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)Nc1ccccc1N1CCCC1=O ZINC000087531525 179441651 /nfs/dbraw/zinc/44/16/51/179441651.db2.gz CZGINOLXHVXPOZ-GFCCVEGCSA-N 1 0 289.379 2.127 10 0 CEAERO CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C[NH3+])C(C)C ZINC000087534208 179442515 /nfs/dbraw/zinc/44/25/15/179442515.db2.gz WBXJJKNGFCPTMV-LLVKDONJSA-N 1 0 298.408 2.403 10 0 CEAERO C[C@@H]([NH2+]CCc1c[nH]cn1)c1ccc(-n2ccnc2)cc1 ZINC000087543815 179442898 /nfs/dbraw/zinc/44/28/98/179442898.db2.gz IWCXBUVQOITCMG-CYBMUJFWSA-N 1 0 281.363 2.489 10 0 CEAERO CCc1nn(C)c(C[C@H]([NH3+])C2(C)CC2)c1Br ZINC000087551242 179445427 /nfs/dbraw/zinc/44/54/27/179445427.db2.gz GEHLCRZDWULHMF-JTQLQIEISA-N 1 0 286.217 2.415 10 0 CEAERO [NH3+]C[C@H]1CCN(c2sccc2Br)C1 ZINC000087570954 179447591 /nfs/dbraw/zinc/44/75/91/179447591.db2.gz DMYPCCCFZICVQK-SSDOTTSWSA-N 1 0 261.188 2.296 10 0 CEAERO C[N@H+](CCC(C)(C)C(N)=S)C[C@@H]1CCCOC1 ZINC000087591235 179451803 /nfs/dbraw/zinc/45/18/03/179451803.db2.gz WAGFIXXXBXGULV-NSHDSACASA-N 1 0 258.431 2.047 10 0 CEAERO Cc1nccn1CC[C@H](C)[NH2+]Cc1ccc2nonc2c1 ZINC000067847172 362928137 /nfs/dbraw/zinc/92/81/37/362928137.db2.gz RJFQHBWRMHQZBC-NSHDSACASA-N 1 0 285.351 2.296 10 0 CEAERO c1ccc(C[N@@H+]2CCOC[C@@H](c3ncccn3)C2)cc1 ZINC000616660831 348551892 /nfs/dbraw/zinc/55/18/92/348551892.db2.gz PRQAKBOHQLRQGJ-HNNXBMFYSA-N 1 0 269.348 2.093 10 0 CEAERO CC(C)[N@@H+]1CCO[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000616645574 348545507 /nfs/dbraw/zinc/54/55/07/348545507.db2.gz FDXWGAGCHCMWPS-GFCCVEGCSA-N 1 0 272.389 2.010 10 0 CEAERO COc1cccc(N[C@]2(C[NH3+])CCO[C@@H](C)C2)c1 ZINC000087916569 179522390 /nfs/dbraw/zinc/52/23/90/179522390.db2.gz KSNSFGCEULFWMZ-SMDDNHRTSA-N 1 0 250.342 2.004 10 0 CEAERO [NH3+]CCc1ccccc1-c1nc([C@@H]2CCCOC2)no1 ZINC000087813744 179491316 /nfs/dbraw/zinc/49/13/16/179491316.db2.gz ARRKKUPBCDMEJQ-GFCCVEGCSA-N 1 0 273.336 2.132 10 0 CEAERO C[NH2+]C[C@H](C)Cc1c(C)nc([C@H]2CCCOC2)nc1C ZINC000087815580 179491753 /nfs/dbraw/zinc/49/17/53/179491753.db2.gz VEOJSCZZHDMVAS-RISCZKNCSA-N 1 0 277.412 2.385 10 0 CEAERO C[C@H]([NH2+]C[C@@H](c1cccs1)N(C)C)C(C)(C)O ZINC000087817447 179492534 /nfs/dbraw/zinc/49/25/34/179492534.db2.gz YMLRPQWBDIDHJO-QWRGUYRKSA-N 1 0 256.415 2.100 10 0 CEAERO CC(C)(C)[N@@H+]1CCOCC[C@@H]1c1ccc(C(N)=O)cc1 ZINC000616655611 348549820 /nfs/dbraw/zinc/54/98/20/348549820.db2.gz HXVUQRGGQGBTIC-CQSZACIVSA-N 1 0 276.380 2.347 10 0 CEAERO COCCCSCc1ccc(OC)c(C(N)=[NH2+])c1 ZINC000087828915 179496482 /nfs/dbraw/zinc/49/64/82/179496482.db2.gz JADUCXMSRNMHDQ-UHFFFAOYSA-N 1 0 268.382 2.249 10 0 CEAERO O=C(N[C@@H]1C[NH2+]CC[C@H]1c1ccccc1)C1CCCC1 ZINC000616572945 348524434 /nfs/dbraw/zinc/52/44/34/348524434.db2.gz XSMUXKQBISNJNT-JKSUJKDBSA-N 1 0 272.392 2.439 10 0 CEAERO [NH3+]CCN1c2ccccc2NC[C@@H]1c1cccnc1 ZINC000616586565 348526973 /nfs/dbraw/zinc/52/69/73/348526973.db2.gz QPTLQQLSYLHDST-OAHLLOKOSA-N 1 0 254.337 2.014 10 0 CEAERO [NH3+]CCN1CCOCC[C@H]1c1ccccc1Cl ZINC000616597547 348529455 /nfs/dbraw/zinc/52/94/55/348529455.db2.gz JVNJCUIDUSFKBT-ZDUSSCGKSA-N 1 0 254.761 2.062 10 0 CEAERO CC(C)[N@@H+]1CCCOC[C@@H]1CNC(=O)OC(C)(C)C ZINC000616599847 348530248 /nfs/dbraw/zinc/53/02/48/348530248.db2.gz QTGSOZFPUNRWGA-LBPRGKRZSA-N 1 0 272.389 2.010 10 0 CEAERO CCCCN(CCCC)c1cc(NN)[nH+]c(C)n1 ZINC000087884160 179510120 /nfs/dbraw/zinc/51/01/20/179510120.db2.gz JENYFISENXPJNS-UHFFFAOYSA-N 1 0 251.378 2.477 10 0 CEAERO CCOC(=O)c1ccccc1[C@@H]1CCCCN(CC[NH3+])C1 ZINC000616604130 348531833 /nfs/dbraw/zinc/53/18/33/348531833.db2.gz AXNRKNZHNGZQLY-CQSZACIVSA-N 1 0 290.407 2.392 10 0 CEAERO OCC[N@@H+]1CCCC[C@H]1c1cnnc2ccccc21 ZINC000616616425 348534895 /nfs/dbraw/zinc/53/48/95/348534895.db2.gz OAPAFGKADHFWQA-HNNXBMFYSA-N 1 0 257.337 2.149 10 0 CEAERO [NH3+]CCN1CCCC[C@@H]1c1cnnc2ccccc21 ZINC000616614949 348534947 /nfs/dbraw/zinc/53/49/47/348534947.db2.gz NDYMTJUVNNYTGM-OAHLLOKOSA-N 1 0 256.353 2.116 10 0 CEAERO OCC[N@@H+]1CCC[C@@H](c2nccc3ccccc32)C1 ZINC000616619863 348536542 /nfs/dbraw/zinc/53/65/42/348536542.db2.gz BQGPSEOIOSPOMS-CQSZACIVSA-N 1 0 256.349 2.407 10 0 CEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H](c2ccno2)C1 ZINC000616620831 348537187 /nfs/dbraw/zinc/53/71/87/348537187.db2.gz MEVBNHPFJCYBBL-LBPRGKRZSA-N 1 0 295.383 2.379 10 0 CEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H](c2ncco2)C1 ZINC000616620472 348537195 /nfs/dbraw/zinc/53/71/95/348537195.db2.gz PKWCEMCMXLMLPL-GFCCVEGCSA-N 1 0 295.383 2.379 10 0 CEAERO CCOC(=O)c1ccccc1[C@H]1CCCN(CC[NH3+])C1 ZINC000616621473 348537356 /nfs/dbraw/zinc/53/73/56/348537356.db2.gz PFCFRLRCSBXMGI-ZDUSSCGKSA-N 1 0 276.380 2.001 10 0 CEAERO CSc1nc(Nc2ccc(F)cc2)cc(NN)[nH+]1 ZINC000087896840 179515826 /nfs/dbraw/zinc/51/58/26/179515826.db2.gz ZLOGTNLEBKYBNB-UHFFFAOYSA-N 1 0 265.317 2.367 10 0 CEAERO Nc1ncccc1C[C@H]([NH3+])[C@@H]1CCc2ccccc2C1 ZINC000088032662 179537352 /nfs/dbraw/zinc/53/73/52/179537352.db2.gz DBMGKBGHIDQFCM-ZBFHGGJFSA-N 1 0 267.376 2.339 10 0 CEAERO C[C@H](C[NH3+])[S@](=O)Cc1ccccc1Br ZINC000088067548 179543801 /nfs/dbraw/zinc/54/38/01/179543801.db2.gz GAHRVHVREDCUEG-CLAHSXSESA-N 1 0 276.199 2.045 10 0 CEAERO COc1cccc(F)c1C(=O)N[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000088080025 179545144 /nfs/dbraw/zinc/54/51/44/179545144.db2.gz SEDVFFRNQGGNDX-ZYHUDNBSSA-N 1 0 280.343 2.095 10 0 CEAERO C[C@H](CC[NH3+])[S@](=O)Cc1ccc(Br)s1 ZINC000088087761 179546333 /nfs/dbraw/zinc/54/63/33/179546333.db2.gz YRWYUYXCXMZBRO-UOWDBTKRSA-N 1 0 296.255 2.497 10 0 CEAERO C[C@H]([NH3+])[C@H](N(C)CCc1ccccc1)C(F)(F)F ZINC000088193626 179562563 /nfs/dbraw/zinc/56/25/63/179562563.db2.gz IOFKIWCTYIBKIG-JQWIXIFHSA-N 1 0 260.303 2.439 10 0 CEAERO [NH3+]CCN1CC[C@@H](OC(F)(F)F)c2ccccc21 ZINC000616673831 348556571 /nfs/dbraw/zinc/55/65/71/348556571.db2.gz FTUOMPLPJLESKY-LLVKDONJSA-N 1 0 260.259 2.433 10 0 CEAERO [NH3+]CCN1CC[C@H](Nc2ccccn2)c2ccccc21 ZINC000616675813 348557327 /nfs/dbraw/zinc/55/73/27/348557327.db2.gz RFCSYRKMCPOCDH-AWEZNQCLSA-N 1 0 268.364 2.404 10 0 CEAERO CC[N@@H+]1CCc2ccccc2[C@@H]1c1ccc(N)nc1 ZINC000616678926 348558077 /nfs/dbraw/zinc/55/80/77/348558077.db2.gz PLCXLUCRKUVUPF-INIZCTEOSA-N 1 0 253.349 2.462 10 0 CEAERO [NH3+]CCN1C[C@H](c2cccc(CO)c2)Nc2ccccc21 ZINC000616686027 348560289 /nfs/dbraw/zinc/56/02/89/348560289.db2.gz VFSLWAJBEHLJMF-MRXNPFEDSA-N 1 0 283.375 2.111 10 0 CEAERO CCOc1ccccc1OCCOC(C)(C)C[NH3+] ZINC000088399450 179592955 /nfs/dbraw/zinc/59/29/55/179592955.db2.gz NVMBMMLBTXWVDA-UHFFFAOYSA-N 1 0 253.342 2.218 10 0 CEAERO CCOc1ccccc1OCCN(C)C(C)(C)C[NH3+] ZINC000088399652 179593364 /nfs/dbraw/zinc/59/33/64/179593364.db2.gz KBKRDFKAUWIZRJ-UHFFFAOYSA-N 1 0 266.385 2.133 10 0 CEAERO C[C@@H]1CCC[NH2+][C@H]1C(=O)N1CCC(C(F)(F)F)CC1 ZINC000088431611 179598727 /nfs/dbraw/zinc/59/87/27/179598727.db2.gz RRTAQYQTLZTULP-MWLCHTKSSA-N 1 0 278.318 2.175 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C(=O)Nc2cccc(F)c2F)C1 ZINC000088450058 179605756 /nfs/dbraw/zinc/60/57/56/179605756.db2.gz RWSXMLUXSGHRGP-RKDXNWHRSA-N 1 0 254.280 2.149 10 0 CEAERO CC1CCC(N(C)C(=O)[C@@H]2C[NH2+]C[C@H](C)C2)CC1 ZINC000088450181 179605907 /nfs/dbraw/zinc/60/59/07/179605907.db2.gz KIZULFSPHFGPKF-DKNRTOFZSA-N 1 0 252.402 2.269 10 0 CEAERO Cc1nn(C)c(C)c1OCc1ccc(F)cc1C[NH3+] ZINC000088453194 179607097 /nfs/dbraw/zinc/60/70/97/179607097.db2.gz WPAUUVRHMWLAMN-UHFFFAOYSA-N 1 0 263.316 2.214 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](CN2CCCCc3ccccc32)C1 ZINC000088337374 179579254 /nfs/dbraw/zinc/57/92/54/179579254.db2.gz NBHUZJYTIQZBBN-HUUCEWRRSA-N 1 0 260.381 2.206 10 0 CEAERO CC(C)C[NH2+]CCCCn1c(=O)oc2cccnc21 ZINC000088397216 179591777 /nfs/dbraw/zinc/59/17/77/179591777.db2.gz GECYFHYKCZAJTD-UHFFFAOYSA-N 1 0 263.341 2.015 10 0 CEAERO COc1ccc(OCC[NH2+]C[C@H]2CCCC[C@H]2O)cc1 ZINC000088401551 179592816 /nfs/dbraw/zinc/59/28/16/179592816.db2.gz RJBFEPISUPAJJU-CZUORRHYSA-N 1 0 279.380 2.215 10 0 CEAERO Cn1ncnc1C[C@H]([NH3+])Cc1c(Cl)cccc1Cl ZINC000088581965 179629205 /nfs/dbraw/zinc/62/92/05/179629205.db2.gz HDUWJDCRSBRZHD-MRVPVSSYSA-N 1 0 285.178 2.234 10 0 CEAERO CCCn1ncnc1C[C@](C)([NH3+])c1ccccc1OC ZINC000088607080 179636451 /nfs/dbraw/zinc/63/64/51/179636451.db2.gz ZNXDKNAKTLFSTD-HNNXBMFYSA-N 1 0 274.368 2.113 10 0 CEAERO COc1ccc(C[C@](C)([NH3+])Cc2ncnn2C(C)C)cc1 ZINC000088607219 179636615 /nfs/dbraw/zinc/63/66/15/179636615.db2.gz ZLGVAKZRYHHNIF-INIZCTEOSA-N 1 0 288.395 2.370 10 0 CEAERO C[NH2+][C@H](Cc1ncnn1C(C)C)Cc1ccccc1OC ZINC000088610956 179638045 /nfs/dbraw/zinc/63/80/45/179638045.db2.gz QBYPIKIPRHKDAJ-AWEZNQCLSA-N 1 0 288.395 2.241 10 0 CEAERO CC[NH2+][C@H](Cc1ncnn1CC)Cc1ccc(C)cc1 ZINC000088611551 179638703 /nfs/dbraw/zinc/63/87/03/179638703.db2.gz KDYOJGGTBFCQRE-HNNXBMFYSA-N 1 0 272.396 2.370 10 0 CEAERO CCCn1ncnc1CN1CC(C)(C)[NH2+]C[C@H]1C(C)(C)C ZINC000088625284 179642646 /nfs/dbraw/zinc/64/26/46/179642646.db2.gz VEXTWZYNXVBNPZ-ZDUSSCGKSA-N 1 0 293.459 2.287 10 0 CEAERO CCCn1ncnc1C[C@@]1(C[NH3+])CCC[C@H](C)C1 ZINC000088626823 179642881 /nfs/dbraw/zinc/64/28/81/179642881.db2.gz VGCIRWJEQFZBFO-GXTWGEPZSA-N 1 0 250.390 2.386 10 0 CEAERO CCn1ncnc1CN1C[C@@](C)(CC)[NH2+]C[C@@]1(C)CC ZINC000088625598 179643107 /nfs/dbraw/zinc/64/31/07/179643107.db2.gz UZQAGNKZVUZSPS-HUUCEWRRSA-N 1 0 279.432 2.041 10 0 CEAERO C[C@H]1CC[C@H](C)N(C(=O)COc2ccc(C[NH3+])cc2)C1 ZINC000088701808 179651991 /nfs/dbraw/zinc/65/19/91/179651991.db2.gz RJJUXJUPKOUPJP-STQMWFEESA-N 1 0 276.380 2.171 10 0 CEAERO CCc1ccc(CN(C)C(=O)[C@@H]2C[NH2+]C[C@@H]2C)cc1 ZINC000104211399 185932794 /nfs/dbraw/zinc/93/27/94/185932794.db2.gz FOYZFJAIRXXHOX-SWLSCSKDSA-N 1 0 260.381 2.063 10 0 CEAERO CCOC[C@H](Cc1ccn(C2CCCC2)n1)[NH2+]C ZINC000088737891 179661480 /nfs/dbraw/zinc/66/14/80/179661480.db2.gz KRYWLOXXJUGNBD-ZDUSSCGKSA-N 1 0 251.374 2.165 10 0 CEAERO C[NH2+]CCc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000088975287 179688292 /nfs/dbraw/zinc/68/82/92/179688292.db2.gz UBGIUTVZIABLNK-UHFFFAOYSA-N 1 0 290.388 2.249 10 0 CEAERO CC[NH2+]CCCc1nnc(-c2ncccc2C)s1 ZINC000088811967 179676546 /nfs/dbraw/zinc/67/65/46/179676546.db2.gz HZSBOSJCIQISCI-UHFFFAOYSA-N 1 0 262.382 2.451 10 0 CEAERO C[NH2+]C[C@H]1Cc2ccccc2CN1CCOC(F)(F)F ZINC000089052141 179694067 /nfs/dbraw/zinc/69/40/67/179694067.db2.gz VBZGVRQQOSNIMA-CYBMUJFWSA-N 1 0 288.313 2.169 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1N1C(=O)c2cc(F)c(F)cc2C1=O ZINC000089109181 179704450 /nfs/dbraw/zinc/70/44/50/179704450.db2.gz OGFAGFTWIIPYAG-ISVAXAHUSA-N 1 0 294.301 2.078 10 0 CEAERO CCOC(=O)c1ccc(N[C@@H]2CCCC[C@@H]2C[NH3+])nc1 ZINC000089108801 179704637 /nfs/dbraw/zinc/70/46/37/179704637.db2.gz RJGHXGHLIJUTKN-DGCLKSJQSA-N 1 0 277.368 2.188 10 0 CEAERO CN(C(=O)c1cccc2cc[nH]c21)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089110382 179705073 /nfs/dbraw/zinc/70/50/73/179705073.db2.gz YXWPJFXFQQMNAY-TZMCWYRMSA-N 1 0 271.364 2.367 10 0 CEAERO Cc1nc(C(=O)N(C)[C@@H]2CCCC[C@H]2C[NH3+])cs1 ZINC000089132023 179713382 /nfs/dbraw/zinc/71/33/82/179713382.db2.gz ZIUZGQPPFDIBOT-CMPLNLGQSA-N 1 0 267.398 2.041 10 0 CEAERO COc1ccc(OC)c(N[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000089147364 179723368 /nfs/dbraw/zinc/72/33/68/179723368.db2.gz YLYQSGAHAMVUHJ-JQWIXIFHSA-N 1 0 250.342 2.243 10 0 CEAERO CCNC(=O)c1cccc(N[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000089141612 179720027 /nfs/dbraw/zinc/72/00/27/179720027.db2.gz KMYQAXQPIHZRFA-DZGCQCFKSA-N 1 0 275.396 2.366 10 0 CEAERO CCn1cc([C@@H]2OCCC[C@H]2C[NH2+]C(C)C)cn1 ZINC000234222424 539695688 /nfs/dbraw/zinc/69/56/88/539695688.db2.gz MCAUJSYCNIMDRL-GXTWGEPZSA-N 1 0 251.374 2.369 10 0 CEAERO Cn1cnnc1-c1ccc(N[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089148602 179724973 /nfs/dbraw/zinc/72/49/73/179724973.db2.gz NABITBOLHIRNSQ-TZMCWYRMSA-N 1 0 271.368 2.021 10 0 CEAERO [NH3+]CCC[C@@H]1CCCN1c1cnc2ccccc2n1 ZINC000104303485 185960381 /nfs/dbraw/zinc/96/03/81/185960381.db2.gz XDICQSDULUIWTL-GFCCVEGCSA-N 1 0 256.353 2.338 10 0 CEAERO CCn1nc(C)cc1CO[C@@]1(C[NH3+])CC[C@@H](C)C1 ZINC000089180803 179744410 /nfs/dbraw/zinc/74/44/10/179744410.db2.gz LNIJOCCBRWIJPZ-RISCZKNCSA-N 1 0 251.374 2.246 10 0 CEAERO Cc1cc(CO[C@]2(C[NH3+])CCC[C@H](C)C2)n(C)n1 ZINC000089180765 179744788 /nfs/dbraw/zinc/74/47/88/179744788.db2.gz RNEQDWCVDASQJM-SMDDNHRTSA-N 1 0 251.374 2.153 10 0 CEAERO CCn1nc(C)cc1COc1ccccc1C(N)=[NH2+] ZINC000089185557 179747053 /nfs/dbraw/zinc/74/70/53/179747053.db2.gz XUKPGTLXOATOAT-UHFFFAOYSA-N 1 0 258.325 2.074 10 0 CEAERO COc1ccc([C@H](C)N[C@@H](C)[C@@H]2CCC[NH2+]2)cc1OC ZINC000400456552 233179181 /nfs/dbraw/zinc/17/91/81/233179181.db2.gz SQMWCILNMTYXKD-OBJOEFQTSA-N 1 0 278.396 2.495 10 0 CEAERO Cc1nn(C)c(CN(C)c2ccc(C(N)=[NH2+])cc2)c1Cl ZINC000089234221 179759269 /nfs/dbraw/zinc/75/92/69/179759269.db2.gz IYFPJZNOBMUNTJ-UHFFFAOYSA-N 1 0 291.786 2.302 10 0 CEAERO Cc1nn(C)c(C[C@@H]([NH3+])c2cccnc2)c1Br ZINC000089250520 179760987 /nfs/dbraw/zinc/76/09/87/179760987.db2.gz VJHJORYFYFHTQD-SNVBAGLBSA-N 1 0 295.184 2.129 10 0 CEAERO CC[NH2+][C@@H](Cc1cc(C)nn1CC)Cc1cccnc1 ZINC000089194168 179750069 /nfs/dbraw/zinc/75/00/69/179750069.db2.gz KPMMCFYZIHEQBR-OAHLLOKOSA-N 1 0 272.396 2.370 10 0 CEAERO Cc1cc(C[C@@H]([NH3+])CSc2ccccc2)n(C)n1 ZINC000089199091 179751633 /nfs/dbraw/zinc/75/16/33/179751633.db2.gz PLIAMFNBUUNBRE-GFCCVEGCSA-N 1 0 261.394 2.391 10 0 CEAERO CCN(Cc1ccccc1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089450345 539715750 /nfs/dbraw/zinc/71/57/50/539715750.db2.gz ZMXBSQFKSGQRQF-CABCVRRESA-N 1 0 260.381 2.410 10 0 CEAERO CCn1nc(C)cc1C[C@H]([NH3+])c1ccc2nccnc2c1 ZINC000089198152 179751792 /nfs/dbraw/zinc/75/17/92/179751792.db2.gz BSOIIYHKRPLADI-AWEZNQCLSA-N 1 0 281.363 2.397 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1cccc(-n2cccn2)c1 ZINC000089451462 539716014 /nfs/dbraw/zinc/71/60/14/539716014.db2.gz QGELNDWGZKCGQM-SWLSCSKDSA-N 1 0 284.363 2.186 10 0 CEAERO Cc1ccc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])c(C)c1O ZINC000089453495 539716653 /nfs/dbraw/zinc/71/66/53/539716653.db2.gz NHYHRTPXMKFFKG-NWDGAFQWSA-N 1 0 262.353 2.323 10 0 CEAERO COc1ccc(F)cc1[C@H](C)NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089454018 539716783 /nfs/dbraw/zinc/71/67/83/539716783.db2.gz PUMXQRRUYRBAMI-LOWVWBTDSA-N 1 0 294.370 2.387 10 0 CEAERO CC(C)CCN(C(=O)[C@H]1CCC[C@H]1C[NH3+])C1CC1 ZINC000089456243 539717490 /nfs/dbraw/zinc/71/74/90/539717490.db2.gz ZFHVYZRCWQTDKX-JSGCOSHPSA-N 1 0 252.402 2.399 10 0 CEAERO Cc1cc(CN2C[C@@H](C(C)C)[NH2+]C[C@@H]2C(C)C)n(C)n1 ZINC000089209231 179754634 /nfs/dbraw/zinc/75/46/34/179754634.db2.gz CJUBUAYZHXGBKP-JKSUJKDBSA-N 1 0 278.444 2.183 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCc1ccccc1OC(F)F ZINC000089460119 539718143 /nfs/dbraw/zinc/71/81/43/539718143.db2.gz IBOPIJASKYMFLU-JQWIXIFHSA-N 1 0 298.333 2.279 10 0 CEAERO CCc1cc(CN2C[C@H](C3CC3)[NH2+]CC2(C)C)n(CC)n1 ZINC000089211120 179755838 /nfs/dbraw/zinc/75/58/38/179755838.db2.gz NNWAQDYUYDLEOV-MRXNPFEDSA-N 1 0 290.455 2.428 10 0 CEAERO CCC(CC)N(CC[NH3+])C(=O)c1cccc(OC)c1 ZINC000104303101 185960591 /nfs/dbraw/zinc/96/05/91/185960591.db2.gz VMWFKPNEAOWFEA-UHFFFAOYSA-N 1 0 264.369 2.285 10 0 CEAERO CCc1nn(C)c(CN(CC[NH3+])C2CCCC2)c1Cl ZINC000089320556 179769584 /nfs/dbraw/zinc/76/95/84/179769584.db2.gz BGYFJXQLOFKBOS-UHFFFAOYSA-N 1 0 284.835 2.339 10 0 CEAERO CC[NH2+][C@H](Cc1c(Cl)c(CC)nn1C)c1ccncn1 ZINC000089328443 179770126 /nfs/dbraw/zinc/77/01/26/179770126.db2.gz MOTDZCXNIFWYEN-GFCCVEGCSA-N 1 0 293.802 2.319 10 0 CEAERO CCc1nn(CC)c(CC2(O)C[C@H]3CC[C@@H](C2)[NH2+]3)c1Cl ZINC000089354260 179772096 /nfs/dbraw/zinc/77/20/96/179772096.db2.gz JLJCSOFXLFMLIB-YWXMQNBFSA-N 1 0 297.830 2.307 10 0 CEAERO CCn1nc(C)c(Cl)c1C[NH2+][C@@H](C)CCOC ZINC000089278141 179763705 /nfs/dbraw/zinc/76/37/05/179763705.db2.gz SLFFLXHLDJJSOU-VIFPVBQESA-N 1 0 259.781 2.379 10 0 CEAERO CC[NH2+]C[C@]1(Cc2c(Cl)c(C)nn2CC)CCOC1 ZINC000089301393 179766924 /nfs/dbraw/zinc/76/69/24/179766924.db2.gz IRUMQTUNVCVJNG-CQSZACIVSA-N 1 0 285.819 2.424 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@@H]1C(=O)N(Cc1ccccn1)C1CC1 ZINC000089391035 179778810 /nfs/dbraw/zinc/77/88/10/179778810.db2.gz DXAQIMFGFKAEHJ-CJNGLKHVSA-N 1 0 287.407 2.338 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000089449208 179791553 /nfs/dbraw/zinc/79/15/53/179791553.db2.gz DNOSJVGCNUQSQX-WPRPVWTQSA-N 1 0 298.289 2.322 10 0 CEAERO CN(CCOc1ccc(F)cc1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089455649 179793984 /nfs/dbraw/zinc/79/39/84/179793984.db2.gz DRQILGVJKZTFKE-WFASDCNBSA-N 1 0 294.370 2.038 10 0 CEAERO Cc1ccc(OC[C@H](C)NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089459151 179795211 /nfs/dbraw/zinc/79/52/11/179795211.db2.gz MECDYZUMVOEHST-SQWLQELKSA-N 1 0 290.407 2.254 10 0 CEAERO CCOC(=O)c1cccnc1OC[C@@H]1CCC[C@H]1C[NH3+] ZINC000089538687 179813354 /nfs/dbraw/zinc/81/33/54/179813354.db2.gz FRTPLCJNRFGWGW-RYUDHWBXSA-N 1 0 278.352 2.012 10 0 CEAERO CCc1nsc(OC[C@H]2CCCC[C@H]2C[NH3+])n1 ZINC000089538152 179813658 /nfs/dbraw/zinc/81/36/58/179813658.db2.gz HSZVSDSAOSPTCS-VHSXEESVSA-N 1 0 255.387 2.244 10 0 CEAERO CCOC(=O)c1cccnc1OC[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089538685 179813680 /nfs/dbraw/zinc/81/36/80/179813680.db2.gz FRTPLCJNRFGWGW-NEPJUHHUSA-N 1 0 278.352 2.012 10 0 CEAERO Cc1cccc(C(=O)NC[C@@H]2CCC[C@H]2C[NH3+])c1C ZINC000089500700 179805117 /nfs/dbraw/zinc/80/51/17/179805117.db2.gz OGIHMZXJPGYLMX-KBPBESRZSA-N 1 0 260.381 2.408 10 0 CEAERO COc1ccc(C)cc1[C@H](C)NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000089742002 539730558 /nfs/dbraw/zinc/73/05/58/539730558.db2.gz GHPDQBWXLHQAOG-STQMWFEESA-N 1 0 276.380 2.180 10 0 CEAERO O=C(C[C@@H]1CC[NH2+]C1)N[C@@H](c1ccco1)c1ccccc1 ZINC000089742618 179857608 /nfs/dbraw/zinc/85/76/08/179857608.db2.gz NVRNEKYQGGPVSB-SUMWQHHRSA-N 1 0 284.359 2.485 10 0 CEAERO CN(CCC[NH+](C)C)c1ccc(Br)cn1 ZINC000104351143 185979489 /nfs/dbraw/zinc/97/94/89/185979489.db2.gz CTVZDDDOTYRKBP-UHFFFAOYSA-N 1 0 272.190 2.232 10 0 CEAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)Nc1ccc(F)cc1F ZINC000090331434 179962790 /nfs/dbraw/zinc/96/27/90/179962790.db2.gz UKQWVGVLUBAIJS-GLXFQSAKSA-N 1 0 295.333 2.427 10 0 CEAERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)CC1=CCCCC1 ZINC000090336259 179964949 /nfs/dbraw/zinc/96/49/49/179964949.db2.gz DDHZPUWJDZRZED-ZIAGYGMSSA-N 1 0 262.397 2.333 10 0 CEAERO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1Cc1cc(-c2ccco2)on1 ZINC000090337130 179965992 /nfs/dbraw/zinc/96/59/92/179965992.db2.gz YTCYZNVSPNTJKO-WCQYABFASA-N 1 0 287.363 2.364 10 0 CEAERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1c1ccc(Cl)cn1 ZINC000090338725 179966392 /nfs/dbraw/zinc/96/63/92/179966392.db2.gz BNIQBDSKABURJO-MWLCHTKSSA-N 1 0 251.761 2.169 10 0 CEAERO CCc1ccc([C@@H]2[NH2+]CCC[S@](=O)[C@@H]2C)cc1 ZINC000090344301 179969228 /nfs/dbraw/zinc/96/92/28/179969228.db2.gz LIXXLPUACSHDDC-JDSLSITLSA-N 1 0 251.395 2.421 10 0 CEAERO C[C@@H](CNC(=O)CSCC[C@H](C)[NH3+])c1ccccc1 ZINC000090346412 179970822 /nfs/dbraw/zinc/97/08/22/179970822.db2.gz XTWBSYXUVKJYSC-STQMWFEESA-N 1 0 280.437 2.377 10 0 CEAERO C[C@@H](C[NH3+])CSCc1nnc(-c2ccco2)o1 ZINC000090351074 179972990 /nfs/dbraw/zinc/97/29/90/179972990.db2.gz SZHANDXALBPQLN-QMMMGPOBSA-N 1 0 253.327 2.158 10 0 CEAERO C[C@@H](CC[NH3+])SCC(=O)N(C)C1CCCCC1 ZINC000090354376 179973641 /nfs/dbraw/zinc/97/36/41/179973641.db2.gz SEXFLOCBDGAQRI-NSHDSACASA-N 1 0 258.431 2.248 10 0 CEAERO COc1ccc(NC(=O)CS[C@@H](C)CC[NH3+])cc1 ZINC000090355020 179974272 /nfs/dbraw/zinc/97/42/72/179974272.db2.gz VXIPEKNFAHEYIX-JTQLQIEISA-N 1 0 268.382 2.104 10 0 CEAERO CC(C)([NH3+])CSCC(=O)NCc1ccc(Cl)cc1 ZINC000090358133 179976540 /nfs/dbraw/zinc/97/65/40/179976540.db2.gz QKQCFVJZDMZGCJ-UHFFFAOYSA-N 1 0 286.828 2.427 10 0 CEAERO CC[NH2+][C@@H](C)[C@H]1CCCN(c2cccc(OC)n2)C1 ZINC000104420419 185995892 /nfs/dbraw/zinc/99/58/92/185995892.db2.gz FHJMYIFIGSSWPT-STQMWFEESA-N 1 0 263.385 2.305 10 0 CEAERO COC(C)(C)C[C@@H](C)[NH2+]CCOCC(F)(F)F ZINC000104440230 186003221 /nfs/dbraw/zinc/00/32/21/186003221.db2.gz MOUVSIZWRZQWFL-SECBINFHSA-N 1 0 257.296 2.359 10 0 CEAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000623765318 350106466 /nfs/dbraw/zinc/10/64/66/350106466.db2.gz QUABJHVQIQRDOR-NWDGAFQWSA-N 1 0 293.260 2.084 10 0 CEAERO CC(C)(C)c1ccc(C[NH2+][C@@H]2CCOC[C@@H]2O)s1 ZINC000623766918 350107231 /nfs/dbraw/zinc/10/72/31/350107231.db2.gz NQXMYCFAKVNMPM-NEPJUHHUSA-N 1 0 269.410 2.285 10 0 CEAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000623767350 350107278 /nfs/dbraw/zinc/10/72/78/350107278.db2.gz UMNQVZJAZJRZED-NWDGAFQWSA-N 1 0 281.739 2.326 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccccc1Cl ZINC000090538936 180000146 /nfs/dbraw/zinc/00/01/46/180000146.db2.gz ZRACCUJXHICUHP-GWCFXTLKSA-N 1 0 282.771 2.293 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1cc(C)cc(C)c1 ZINC000090539030 180000213 /nfs/dbraw/zinc/00/02/13/180000213.db2.gz XJQURCPPRPUENM-HUUCEWRRSA-N 1 0 276.380 2.257 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)N(C)C1CCCCCC1 ZINC000090540662 180000339 /nfs/dbraw/zinc/00/03/39/180000339.db2.gz JHBQTPGDHAJURK-GJZGRUSLSA-N 1 0 282.428 2.182 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccccc1CC ZINC000090539067 180000450 /nfs/dbraw/zinc/00/04/50/180000450.db2.gz QAVBKYDXCAMISP-UKRRQHHQSA-N 1 0 276.380 2.202 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)N(CC)c1cccc(F)c1 ZINC000090544237 180000680 /nfs/dbraw/zinc/00/06/80/180000680.db2.gz NEGMMVCHIVQXNA-HUUCEWRRSA-N 1 0 294.370 2.193 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N(C)c1cc(C)cc(C)c1 ZINC000090544410 180001285 /nfs/dbraw/zinc/00/12/85/180001285.db2.gz UZVHKPWMSPAHMH-JKSUJKDBSA-N 1 0 290.407 2.281 10 0 CEAERO O=C(CSCC1C[NH2+]C1)Nc1ccc(Cl)cc1F ZINC000090713281 180028627 /nfs/dbraw/zinc/02/86/27/180028627.db2.gz UMJFOURDGFAOSK-UHFFFAOYSA-N 1 0 288.775 2.370 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1CN(C)Cc1ccccc1F ZINC000090566298 180005603 /nfs/dbraw/zinc/00/56/03/180005603.db2.gz BJSGUERSZVPIPD-GDBMZVCRSA-N 1 0 280.387 2.272 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1CN(C)Cc1ccsc1 ZINC000090566149 180005960 /nfs/dbraw/zinc/00/59/60/180005960.db2.gz FBWSEHHRTIOORW-KGLIPLIRSA-N 1 0 268.426 2.195 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1CN(C)Cc1ccc(F)cc1 ZINC000090566302 180006027 /nfs/dbraw/zinc/00/60/27/180006027.db2.gz GVVSLBLAMRGUOL-GDBMZVCRSA-N 1 0 280.387 2.272 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1CN(C)c1ccc(C)cc1 ZINC000090566724 180006416 /nfs/dbraw/zinc/00/64/16/180006416.db2.gz DPEJMWMZFDMRCR-GDBMZVCRSA-N 1 0 262.397 2.446 10 0 CEAERO C[C@@]1(c2nc3cc(F)ccc3s2)COC[C@@H]1[NH3+] ZINC000090573012 180007395 /nfs/dbraw/zinc/00/73/95/180007395.db2.gz GPONTLLWLCZPRC-CMPLNLGQSA-N 1 0 252.314 2.051 10 0 CEAERO CCn1c2c(cccc2Cl)nc1[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090571809 180007695 /nfs/dbraw/zinc/00/76/95/180007695.db2.gz ZACLHVZYAALOEP-FZMZJTMJSA-N 1 0 279.771 2.325 10 0 CEAERO CC(C)n1c2cccc(F)c2nc1[C@@]1(C)COC[C@H]1[NH3+] ZINC000090571795 180007919 /nfs/dbraw/zinc/00/79/19/180007919.db2.gz ZYXAKPIRSPSOFH-DOMZBBRYSA-N 1 0 277.343 2.372 10 0 CEAERO CC(C)c1ccc(NC(=O)[C@]2(C)COC[C@H]2[NH3+])cc1 ZINC000090580639 180008231 /nfs/dbraw/zinc/00/82/31/180008231.db2.gz FCUMTLNRVWARAN-UKRRQHHQSA-N 1 0 262.353 2.112 10 0 CEAERO COC(C[C@H](C[NH3+])N(C)Cc1ccc(Cl)cc1)OC ZINC000090625121 180015778 /nfs/dbraw/zinc/01/57/78/180015778.db2.gz DWYLIBHFJBHAHL-CYBMUJFWSA-N 1 0 286.803 2.108 10 0 CEAERO C[C@@H](O[C@@H](C)C(=O)Nc1cccc(C[NH3+])c1)C(F)(F)F ZINC000090671958 180021020 /nfs/dbraw/zinc/02/10/20/180021020.db2.gz CNNUYODNEGPQOK-DTWKUNHWSA-N 1 0 290.285 2.440 10 0 CEAERO CCOC(=O)[C@@](C)([NH3+])CCCCO[C@@H](C)C(F)(F)F ZINC000090674337 180021724 /nfs/dbraw/zinc/02/17/24/180021724.db2.gz VNABBYBBEFLORY-ONGXEEELSA-N 1 0 285.306 2.405 10 0 CEAERO COc1ccc(CO[C@@H](C)C(F)(F)F)cc1C(N)=[NH2+] ZINC000090673196 180021792 /nfs/dbraw/zinc/02/17/92/180021792.db2.gz MLNHFRZWBBAHIQ-ZETCQYMHSA-N 1 0 276.258 2.447 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCCCO[C@H](C)C(F)(F)F ZINC000090676005 180022466 /nfs/dbraw/zinc/02/24/66/180022466.db2.gz YSOGHLVXMBSHOD-GHMZBOCLSA-N 1 0 271.323 2.485 10 0 CEAERO C[C@H]1CCN(CCOCC(F)(F)F)CC[C@H](C)[NH2+]1 ZINC000104440337 186003579 /nfs/dbraw/zinc/00/35/79/186003579.db2.gz FEWAZEKPODYOMM-QWRGUYRKSA-N 1 0 268.323 2.028 10 0 CEAERO CN(CC[C@H]1CCCC[NH2+]1)CC(=O)Nc1ccccc1F ZINC000090693382 180025276 /nfs/dbraw/zinc/02/52/76/180025276.db2.gz LLGKEMCWQWHYHY-CYBMUJFWSA-N 1 0 293.386 2.228 10 0 CEAERO CCCC(=O)N1CCCSC[C@@H]1C[NH+]1CCCC1 ZINC000090700516 180027837 /nfs/dbraw/zinc/02/78/37/180027837.db2.gz AIDQWRGPWVCNTF-ZDUSSCGKSA-N 1 0 270.442 2.216 10 0 CEAERO C[NH2+][C@H](c1cnccc1C)[C@@H]1COc2ccccc2O1 ZINC000090710179 180027889 /nfs/dbraw/zinc/02/78/89/180027889.db2.gz WLJRONVJZXMGOW-JKSUJKDBSA-N 1 0 270.332 2.491 10 0 CEAERO Cc1ccncc1[C@@H]([NH3+])c1ccc2nccnc2c1 ZINC000090709901 180027978 /nfs/dbraw/zinc/02/79/78/180027978.db2.gz CXZISTHZDRTZFT-HNNXBMFYSA-N 1 0 250.305 2.381 10 0 CEAERO CN1CCN(C)[C@H](C[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)C1 ZINC000068803391 362949459 /nfs/dbraw/zinc/94/94/59/362949459.db2.gz STCRJGOXOYDJLK-PMPSAXMXSA-N 1 0 281.488 2.427 10 0 CEAERO COc1cc(N[C@H](C)c2ccc(C[NH3+])cc2)ncn1 ZINC000090783557 180039497 /nfs/dbraw/zinc/03/94/97/180039497.db2.gz XJZNQLZNTRENML-SNVBAGLBSA-N 1 0 258.325 2.117 10 0 CEAERO [NH3+]CCN(c1ncncc1Br)C1CCCCC1 ZINC000090783138 180039614 /nfs/dbraw/zinc/03/96/14/180039614.db2.gz GXIUEPQJJUPUGM-UHFFFAOYSA-N 1 0 299.216 2.337 10 0 CEAERO CCC[NH2+]C[C@H]1CCCN1c1ncncc1Br ZINC000090782580 180039628 /nfs/dbraw/zinc/03/96/28/180039628.db2.gz UCLFJKMVFRUQDQ-SNVBAGLBSA-N 1 0 299.216 2.208 10 0 CEAERO CCOc1cc(OC[C@@H]2CCCC[C@@H]2C[NH3+])ncn1 ZINC000090784573 180040139 /nfs/dbraw/zinc/04/01/39/180040139.db2.gz LWEYGVFJFCHCTR-NEPJUHHUSA-N 1 0 265.357 2.019 10 0 CEAERO CCOc1cc(N2CCC[C@H]2C[NH2+]CC(C)C)nc(C)n1 ZINC000090788139 180041116 /nfs/dbraw/zinc/04/11/16/180041116.db2.gz ZCMIJDXBHZWZSC-AWEZNQCLSA-N 1 0 292.427 2.398 10 0 CEAERO CCN(c1ncnc(OC)c1C)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000090788879 180041311 /nfs/dbraw/zinc/04/13/11/180041311.db2.gz LHJSXCUBQMQVTK-CHWSQXEVSA-N 1 0 278.400 2.137 10 0 CEAERO CCC[NH2+]C[C@@H]1CCCN1c1cc(OCC)nc(C)n1 ZINC000090788126 180041343 /nfs/dbraw/zinc/04/13/43/180041343.db2.gz ISNUFVRRZFYHFH-ZDUSSCGKSA-N 1 0 278.400 2.152 10 0 CEAERO CCOc1ncnc(Nc2cccc(OCC[NH3+])c2)c1C ZINC000090789600 180041981 /nfs/dbraw/zinc/04/19/81/180041981.db2.gz WNNVZPUSFXWPNW-UHFFFAOYSA-N 1 0 288.351 2.265 10 0 CEAERO COc1ncnc(NCCC[N@@H+]2CCCC[C@H]2C)c1C ZINC000090790619 180042057 /nfs/dbraw/zinc/04/20/57/180042057.db2.gz GIOICBAOFWZXDQ-GFCCVEGCSA-N 1 0 278.400 2.470 10 0 CEAERO CCOc1ncnc(Nc2cccc(C[NH3+])c2)c1C ZINC000090790135 180042244 /nfs/dbraw/zinc/04/22/44/180042244.db2.gz XDWXSRQWEWOLOL-UHFFFAOYSA-N 1 0 258.325 2.386 10 0 CEAERO COc1cccc(F)c1[C@H](C)[NH2+]C[C@@H](C)[S@](C)=O ZINC000090842240 180044251 /nfs/dbraw/zinc/04/42/51/180044251.db2.gz MOFFRVZBTPUNOV-AUSHCKSDSA-N 1 0 273.373 2.252 10 0 CEAERO [NH3+][C@@H]1C[C@@H](OCC2CCOCC2)C12CCCCC2 ZINC000090863590 180047677 /nfs/dbraw/zinc/04/76/77/180047677.db2.gz YLQWFAICHOKFKJ-ZIAGYGMSSA-N 1 0 253.386 2.480 10 0 CEAERO NC(=[NH2+])C1CCN(c2snc3ccccc32)CC1 ZINC000090869007 180048964 /nfs/dbraw/zinc/04/89/64/180048964.db2.gz YWGPPMHVGQYMQG-UHFFFAOYSA-N 1 0 260.366 2.449 10 0 CEAERO CC[NH2+]Cc1cccc(SCC(=O)N[C@H](C)COC)c1 ZINC000090871282 180049122 /nfs/dbraw/zinc/04/91/22/180049122.db2.gz XLWGOCQAFHXJQQ-GFCCVEGCSA-N 1 0 296.436 2.039 10 0 CEAERO CC(C)[NH2+]Cc1cccc(S[C@@H](C)C(N)=O)c1 ZINC000090872077 180049664 /nfs/dbraw/zinc/04/96/64/180049664.db2.gz QDYDEEFLSKNDQD-JTQLQIEISA-N 1 0 252.383 2.151 10 0 CEAERO COCC[NH2+]Cc1cccc(S[C@H](C)C(=O)OC)c1 ZINC000090873130 180049892 /nfs/dbraw/zinc/04/98/92/180049892.db2.gz IRVDTFVIKSKKRV-LLVKDONJSA-N 1 0 283.393 2.076 10 0 CEAERO CS(=O)(=O)CCCSc1cccc(C[NH2+]C2CC2)c1 ZINC000090872264 180050142 /nfs/dbraw/zinc/05/01/42/180050142.db2.gz DTQKDONIKKTJNJ-UHFFFAOYSA-N 1 0 299.461 2.465 10 0 CEAERO c1ccc2c(c1)C[C@H](CN1CC[NH2+]CC13CCCC3)O2 ZINC000090878260 180052074 /nfs/dbraw/zinc/05/20/74/180052074.db2.gz DHXLBDJEZTUPPM-OAHLLOKOSA-N 1 0 272.392 2.208 10 0 CEAERO C[C@H]([NH2+]C[C@@H]1Cc2cc(F)ccc2O1)[C@@H]1CCCO1 ZINC000090892153 180053562 /nfs/dbraw/zinc/05/35/62/180053562.db2.gz LXQNLQGNZNERHO-BPNCWPANSA-N 1 0 265.328 2.286 10 0 CEAERO Fc1ccc2c(c1)C[C@@H](C[NH2+]C[C@H]1CCCCO1)O2 ZINC000090892530 180053670 /nfs/dbraw/zinc/05/36/70/180053670.db2.gz DSKKBBHISWLAGX-KGLIPLIRSA-N 1 0 265.328 2.288 10 0 CEAERO CC(C)[NH2+]CCOC[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893701 180054972 /nfs/dbraw/zinc/05/49/72/180054972.db2.gz XMZVOPUKIRCMSX-ZDUSSCGKSA-N 1 0 253.317 2.144 10 0 CEAERO CC[NH2+]Cc1cnn(C[C@@H]2Cc3cc(F)ccc3O2)c1C ZINC000090895591 180056343 /nfs/dbraw/zinc/05/63/43/180056343.db2.gz RZOJYANDSJPNOI-HNNXBMFYSA-N 1 0 289.354 2.444 10 0 CEAERO CC[C@]1(C)CN(C[C@@H]2Cc3cc(F)ccc3O2)CC[NH2+]1 ZINC000090896109 180056365 /nfs/dbraw/zinc/05/63/65/180056365.db2.gz JUGGEMBBLVGZGV-GOEBONIOSA-N 1 0 278.371 2.203 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[NH2+]Cc1ccncc1)O2 ZINC000090897284 180057138 /nfs/dbraw/zinc/05/71/38/180057138.db2.gz SUHRPCDKAKFUPQ-OAHLLOKOSA-N 1 0 254.333 2.483 10 0 CEAERO C[C@@H]1CN(C[C@@H]2Cc3cc(F)ccc3O2)[C@H](C2CC2)C[NH2+]1 ZINC000090896157 180057174 /nfs/dbraw/zinc/05/71/74/180057174.db2.gz HZMYQYCGKPHULD-RLCCDNCMSA-N 1 0 290.382 2.202 10 0 CEAERO Cc1cc(C[NH2+]C[C@H]2Cc3cc(C)ccc3O2)on1 ZINC000090897824 180057297 /nfs/dbraw/zinc/05/72/97/180057297.db2.gz PICRKUOGQZTMQR-CYBMUJFWSA-N 1 0 258.321 2.385 10 0 CEAERO C[C@@H]1CN(C[C@@H]2Cc3cc(F)ccc3O2)C(C)(C)C[NH2+]1 ZINC000090896159 180057534 /nfs/dbraw/zinc/05/75/34/180057534.db2.gz WPUXTDMEMXYLLP-RISCZKNCSA-N 1 0 278.371 2.202 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](C[NH+]1CCC(C(N)=S)CC1)O2 ZINC000090898445 180057749 /nfs/dbraw/zinc/05/77/49/180057749.db2.gz DCNSMQYNPWMHJW-AWEZNQCLSA-N 1 0 290.432 2.297 10 0 CEAERO CC[NH2+]CCN(CC)C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090898925 180058238 /nfs/dbraw/zinc/05/82/38/180058238.db2.gz DRBFOHZGGONEEN-HNNXBMFYSA-N 1 0 262.397 2.230 10 0 CEAERO CCOC(=O)CC[NH2+]C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090899741 180058471 /nfs/dbraw/zinc/05/84/71/180058471.db2.gz OJJIIHGKCQLNNA-LBPRGKRZSA-N 1 0 283.755 2.186 10 0 CEAERO C[NH2+]Cc1cnn(C[C@@H]2Cc3cc(C)ccc3O2)c1C ZINC000090901914 180058768 /nfs/dbraw/zinc/05/87/68/180058768.db2.gz IIVAUKGOLWLCEY-HNNXBMFYSA-N 1 0 271.364 2.223 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](C[NH+]1CCC(CO)CC1)O2 ZINC000090900918 180058923 /nfs/dbraw/zinc/05/89/23/180058923.db2.gz SQCGEOJBLXUOQG-HNNXBMFYSA-N 1 0 261.365 2.003 10 0 CEAERO Clc1ccc2c(c1)C[C@H](C[NH2+][C@@H]1CCCOC1)O2 ZINC000090904801 180059724 /nfs/dbraw/zinc/05/97/24/180059724.db2.gz JDZFTCQNBAJKLA-CHWSQXEVSA-N 1 0 267.756 2.412 10 0 CEAERO Cc1ccc(C)c([C@H](C[NH3+])N2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000090905710 180059875 /nfs/dbraw/zinc/05/98/75/180059875.db2.gz PPUAKTDEIIEVHX-LZWOXQAQSA-N 1 0 260.381 2.166 10 0 CEAERO Cc1ccc2c(c1)C[C@H](Cn1nccc1C[NH2+]C1CC1)O2 ZINC000090901939 180060093 /nfs/dbraw/zinc/06/00/93/180060093.db2.gz HNEYBZMPJVAUJR-MRXNPFEDSA-N 1 0 283.375 2.447 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](CN1CC(C)(C)[NH2+]C[C@@H]1C)O2 ZINC000090902490 180060331 /nfs/dbraw/zinc/06/03/31/180060331.db2.gz SURDWTSBPDSNNX-ZFWWWQNUSA-N 1 0 274.408 2.371 10 0 CEAERO Cc1ccc(C)c([C@H](O)CN2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000090906969 180061369 /nfs/dbraw/zinc/06/13/69/180061369.db2.gz IQFLHWQISPOVTR-IJEWVQPXSA-N 1 0 261.365 2.200 10 0 CEAERO CC1CCC(C[NH3+])(CN2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000090907631 180061924 /nfs/dbraw/zinc/06/19/24/180061924.db2.gz WPLILCRNDPEQOD-HFDVOGEKSA-N 1 0 252.402 2.005 10 0 CEAERO c1ccc([C@@H](C[NH2+]C2CC2)N2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090907884 180062174 /nfs/dbraw/zinc/06/21/74/180062174.db2.gz FBIBDOPOXSWIGY-IXDOHACOSA-N 1 0 272.392 2.343 10 0 CEAERO Cc1c(F)cccc1NC(=O)c1csc(CC[NH3+])n1 ZINC000090953051 180073107 /nfs/dbraw/zinc/07/31/07/180073107.db2.gz UHBXNYSEWQXPAG-UHFFFAOYSA-N 1 0 279.340 2.344 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+][C@@H](C)Cn1cccn1 ZINC000090960107 180075507 /nfs/dbraw/zinc/07/55/07/180075507.db2.gz LCEMKRSSKLZXIY-JTQLQIEISA-N 1 0 278.381 2.081 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+][C@@H]1CCCC[C@@H]1O ZINC000090960594 180075555 /nfs/dbraw/zinc/07/55/55/180075555.db2.gz JNROMQMIYKCFHY-PWSUYJOCSA-N 1 0 268.382 2.100 10 0 CEAERO CCN1CCC[C@H]([NH2+]Cc2sccc2NC(C)=O)C1 ZINC000090960374 180075597 /nfs/dbraw/zinc/07/55/97/180075597.db2.gz OYZQAPYQDKEYTM-LBPRGKRZSA-N 1 0 281.425 2.280 10 0 CEAERO CC(=O)Nc1ccsc1CNCC(C)(C)C[NH+](C)C ZINC000090958892 180075772 /nfs/dbraw/zinc/07/57/72/180075772.db2.gz CYCBJEIAMPKCMS-UHFFFAOYSA-N 1 0 283.441 2.384 10 0 CEAERO [NH3+]Cc1ccc(NC(=O)[C@@H]2Cc3ccccc32)cc1 ZINC000090982564 180079614 /nfs/dbraw/zinc/07/96/14/180079614.db2.gz LIMDESCWKPZAEZ-OAHLLOKOSA-N 1 0 252.317 2.424 10 0 CEAERO [NH3+]Cc1cccc(NC(=O)[C@H]2Cc3ccccc32)c1 ZINC000090982565 180079628 /nfs/dbraw/zinc/07/96/28/180079628.db2.gz KQYRHWHQAHHZEP-HNNXBMFYSA-N 1 0 252.317 2.424 10 0 CEAERO [NH3+]C[C@H](NC(=O)[C@H]1Cc2ccccc21)c1ccccc1 ZINC000090987173 180080811 /nfs/dbraw/zinc/08/08/11/180080811.db2.gz LLLBIANNMXJUOT-HOTGVXAUSA-N 1 0 266.344 2.143 10 0 CEAERO CC(C)[NH2+][C@H]1CCCN(C[C@H]2Cc3ccccc32)C1=O ZINC000090993396 180081898 /nfs/dbraw/zinc/08/18/98/180081898.db2.gz GGJTWEYUPWETBU-ZBFHGGJFSA-N 1 0 272.392 2.315 10 0 CEAERO CC(C)N1CCO[C@H](C[NH2+]C[C@@H]2Cc3ccccc32)C1 ZINC000090992779 180082072 /nfs/dbraw/zinc/08/20/72/180082072.db2.gz OHCBGIJPZZAGQY-JKSUJKDBSA-N 1 0 274.408 2.025 10 0 CEAERO CCC[C@H](C)NC(=O)Cn1cc(C[NH3+])c2ccccc21 ZINC000090994997 180082618 /nfs/dbraw/zinc/08/26/18/180082618.db2.gz JICWDRGRJRURBU-LBPRGKRZSA-N 1 0 273.380 2.405 10 0 CEAERO CCc1nc(Cn2cc(C[NH2+]C)c3ccccc32)no1 ZINC000090995287 180082725 /nfs/dbraw/zinc/08/27/25/180082725.db2.gz KYMDQVQWGSITEK-UHFFFAOYSA-N 1 0 270.336 2.354 10 0 CEAERO CC(C)[NH2+]Cc1cccn1CC(=O)NC1CCCC1 ZINC000091001113 180083291 /nfs/dbraw/zinc/08/32/91/180083291.db2.gz IJDAKDAFERHIFV-UHFFFAOYSA-N 1 0 263.385 2.045 10 0 CEAERO CC(C)C[NH2+]Cc1cccn1CC(=O)N[C@@H](C)C(C)C ZINC000091001874 180083320 /nfs/dbraw/zinc/08/33/20/180083320.db2.gz YTZXOAAFFRNRRS-AWEZNQCLSA-N 1 0 279.428 2.394 10 0 CEAERO CCC[NH2+]Cc1cccn1Cc1cc(CC)nn1C ZINC000091001003 180083493 /nfs/dbraw/zinc/08/34/93/180083493.db2.gz FAOYTEHUYKPFSM-UHFFFAOYSA-N 1 0 260.385 2.332 10 0 CEAERO CCc1nnc(Cn2nc(C)c(C[NH2+]CC(C)C)c2C)o1 ZINC000091002235 180084163 /nfs/dbraw/zinc/08/41/63/180084163.db2.gz ZMCDHWHCSSNCSW-UHFFFAOYSA-N 1 0 291.399 2.239 10 0 CEAERO CC(C)c1nc(Cn2ccc(C[NH2+]C3CC3)c2)no1 ZINC000091004015 180084203 /nfs/dbraw/zinc/08/42/03/180084203.db2.gz ACGZAAOYXJJHDF-UHFFFAOYSA-N 1 0 260.341 2.295 10 0 CEAERO Cc1nn(Cc2ncccn2)c(C)c1C[NH2+]CC(C)C ZINC000091002301 180084226 /nfs/dbraw/zinc/08/42/26/180084226.db2.gz HQGYPKWKQBQIJU-UHFFFAOYSA-N 1 0 273.384 2.084 10 0 CEAERO CC[C@@H]([NH3+])Cc1cccn1CCOCC(F)(F)F ZINC000091005658 180084819 /nfs/dbraw/zinc/08/48/19/180084819.db2.gz GFFORSPXRHKZDO-SNVBAGLBSA-N 1 0 264.291 2.347 10 0 CEAERO CCCn1ccc(C[C@H]([NH3+])CCC(=O)OCC)c1 ZINC000091010423 180086494 /nfs/dbraw/zinc/08/64/94/180086494.db2.gz RCPMMUCNWINKNW-CYBMUJFWSA-N 1 0 252.358 2.111 10 0 CEAERO Cc1c([C@@H](C)[NH2+]Cc2c[nH]c3ncccc23)cnn1C ZINC000091016940 180086894 /nfs/dbraw/zinc/08/68/94/180086894.db2.gz DBUHUTRSFOGTMJ-SNVBAGLBSA-N 1 0 269.352 2.456 10 0 CEAERO CCn1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2CO)c1 ZINC000091016023 180087174 /nfs/dbraw/zinc/08/71/74/180087174.db2.gz OXSYWYGEOGACOS-LSDHHAIUSA-N 1 0 250.386 2.396 10 0 CEAERO CC(C)C[NH2+]Cc1cn(Cc2ncon2)c2ncccc12 ZINC000091021115 180088780 /nfs/dbraw/zinc/08/87/80/180088780.db2.gz GRDMQYIMZGPWSJ-UHFFFAOYSA-N 1 0 285.351 2.213 10 0 CEAERO C[C@H]([NH3+])c1nc(-c2nc(CC(F)(F)F)no2)cs1 ZINC000090938782 180068237 /nfs/dbraw/zinc/06/82/37/180068237.db2.gz LAMPDYGKLLZVJD-BYPYZUCNSA-N 1 0 278.259 2.318 10 0 CEAERO [NH3+]CCc1nc(C(=O)Nc2c(F)cccc2F)cs1 ZINC000090946554 180070283 /nfs/dbraw/zinc/07/02/83/180070283.db2.gz WGVOKKCNROJWEV-UHFFFAOYSA-N 1 0 283.303 2.175 10 0 CEAERO CC[C@@](C)(C[NH3+])[C@@](C)(O)COCc1ccccc1 ZINC000669377438 539760628 /nfs/dbraw/zinc/76/06/28/539760628.db2.gz PXNCXSMXJMBYLA-GJZGRUSLSA-N 1 0 251.370 2.329 10 0 CEAERO CCC[C@@H](C[NH3+])C1(O)CC(OCc2ccccc2)C1 ZINC000669377831 539760914 /nfs/dbraw/zinc/76/09/14/539760914.db2.gz XSTWQAHMLQIBNB-FHERZECASA-N 1 0 263.381 2.472 10 0 CEAERO CC(C)(C)SCc1noc(C[C@@H]2CSCC[NH2+]2)n1 ZINC000091129175 180100793 /nfs/dbraw/zinc/10/07/93/180100793.db2.gz RBOVPSAIDLSVQD-SECBINFHSA-N 1 0 287.454 2.349 10 0 CEAERO Cc1ccccc1[C@H](C)NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000091138365 180105856 /nfs/dbraw/zinc/10/58/56/180105856.db2.gz ZWLJUPPGVPIQNK-STQMWFEESA-N 1 0 278.421 2.267 10 0 CEAERO [NH3+]C[C@H](CC(=O)NC1CC1)N1CCC2(CCCCC2)CC1 ZINC000091319800 180133889 /nfs/dbraw/zinc/13/38/89/180133889.db2.gz ZOURPTNJSQKSAW-HNNXBMFYSA-N 1 0 293.455 2.029 10 0 CEAERO CC(C)(C)NC(=O)C[C@H](C[NH3+])Nc1ccccc1Cl ZINC000091321816 180134840 /nfs/dbraw/zinc/13/48/40/180134840.db2.gz MOZZKOHJEJBYSS-SNVBAGLBSA-N 1 0 283.803 2.384 10 0 CEAERO C[C@H](O)[C@](C[NH3+])(CCOCC(F)(F)F)c1ccccc1 ZINC000091327872 180135867 /nfs/dbraw/zinc/13/58/67/180135867.db2.gz GZQSSLVTFVIPBN-WCQYABFASA-N 1 0 291.313 2.233 10 0 CEAERO C[NH2+]Cc1cnn(-c2ccccn2)c1C(F)(F)F ZINC000091335661 180136308 /nfs/dbraw/zinc/13/63/08/180136308.db2.gz VRWGUMVHDHRVHN-UHFFFAOYSA-N 1 0 256.231 2.006 10 0 CEAERO CCc1c(C[NH3+])cnn1-c1ccc(C(F)(F)F)cn1 ZINC000091335573 180136586 /nfs/dbraw/zinc/13/65/86/180136586.db2.gz DEFNPNUKSQGXNB-UHFFFAOYSA-N 1 0 270.258 2.307 10 0 CEAERO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC[S@](C)=O ZINC000091341917 180136939 /nfs/dbraw/zinc/13/69/39/180136939.db2.gz CDRIGOKLYVXFIR-MGPLVRAMSA-N 1 0 259.802 2.239 10 0 CEAERO Cc1ccc([C@@H]([NH2+]CC[S@@](C)=O)C2CC2)cc1 ZINC000091341695 180137191 /nfs/dbraw/zinc/13/71/91/180137191.db2.gz WYKWUIQGDMUYLK-PBHICJAKSA-N 1 0 251.395 2.414 10 0 CEAERO CCOC(C[NH2+][C@@H]1CCN(Cc2ccccc2)C1)OCC ZINC000091354211 180138566 /nfs/dbraw/zinc/13/85/66/180138566.db2.gz GYEZVTNEVFCXDM-MRXNPFEDSA-N 1 0 292.423 2.250 10 0 CEAERO COCCc1noc([C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)n1 ZINC000091355395 180139016 /nfs/dbraw/zinc/13/90/16/180139016.db2.gz REPNCNRFVSRXIP-SRVKXCTJSA-N 1 0 265.357 2.242 10 0 CEAERO CN(CC1CC1)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000091360096 180141236 /nfs/dbraw/zinc/14/12/36/180141236.db2.gz QUIIMKPYCNLYOV-RDBSUJKOSA-N 1 0 250.386 2.166 10 0 CEAERO CCOc1ccccc1[C@H]([NH3+])CSC[C@H](C)CO ZINC000091261586 180115944 /nfs/dbraw/zinc/11/59/44/180115944.db2.gz OFWBCAGVBPWNLJ-DGCLKSJQSA-N 1 0 269.410 2.447 10 0 CEAERO CC(C)n1cncc1[C@H](CO)[NH2+]Cc1ccccc1 ZINC000091273832 180117590 /nfs/dbraw/zinc/11/75/90/180117590.db2.gz YJUIHJMXSRJSEQ-AWEZNQCLSA-N 1 0 259.353 2.287 10 0 CEAERO Cc1nc(C)c(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)s1 ZINC000412050618 233323900 /nfs/dbraw/zinc/32/39/00/233323900.db2.gz UFGQMFRBIOLJRM-YNEHKIRRSA-N 1 0 266.410 2.353 10 0 CEAERO CC(C)(C)N1C(=O)CCC[C@H]([NH3+])[C@H]1c1cncn1C1CC1 ZINC000091275606 180118854 /nfs/dbraw/zinc/11/88/54/180118854.db2.gz VCGFUWYOXBBADW-WFASDCNBSA-N 1 0 290.411 2.397 10 0 CEAERO C[C@@H]1C[C@H](C)CN([C@@H](C[NH3+])c2cncn2C2CC2)C1 ZINC000091276175 180119162 /nfs/dbraw/zinc/11/91/62/180119162.db2.gz DUBNAFMBSHIGJP-SCRDCRAPSA-N 1 0 262.401 2.196 10 0 CEAERO [NH3+]C[C@@H](c1cncn1C1CC1)N1Cc2ccccc2C1 ZINC000091276505 180119849 /nfs/dbraw/zinc/11/98/49/180119849.db2.gz YSKRLMQRIGPAHE-HNNXBMFYSA-N 1 0 268.364 2.234 10 0 CEAERO [NH3+]C[C@@H](c1cncn1C1CC1)N(CC1CC1)CC1CC1 ZINC000091276599 180120195 /nfs/dbraw/zinc/12/01/95/180120195.db2.gz NPDSTVXIXJPOGY-HNNXBMFYSA-N 1 0 274.412 2.340 10 0 CEAERO Cn1cncc1COc1cccc2c1CCC[C@@H]2[NH3+] ZINC000091278491 180121413 /nfs/dbraw/zinc/12/14/13/180121413.db2.gz MAWGSOPLXFNVPM-AWEZNQCLSA-N 1 0 257.337 2.335 10 0 CEAERO CCc1ccc(N(C)C(=O)C[C@H]2CSCC[NH2+]2)cc1 ZINC000091290779 180122268 /nfs/dbraw/zinc/12/22/68/180122268.db2.gz KFKNVZQGCNDGDU-ZDUSSCGKSA-N 1 0 278.421 2.307 10 0 CEAERO Cc1csc([C@@H](C)NCC[C@@H]2CSCC[NH2+]2)n1 ZINC000091292344 180123418 /nfs/dbraw/zinc/12/34/18/180123418.db2.gz SSPUBOWCWVRIFC-GHMZBOCLSA-N 1 0 271.455 2.197 10 0 CEAERO CN(CC[C@H]1CSCC[NH2+]1)c1cccc(F)c1 ZINC000091292236 180123456 /nfs/dbraw/zinc/12/34/56/180123456.db2.gz AISFAQVAGAPPAH-LBPRGKRZSA-N 1 0 254.374 2.357 10 0 CEAERO CC[C@H]([NH2+]C1CC(O)C1)c1ccc(OC)c(OC)c1 ZINC000091431102 180153473 /nfs/dbraw/zinc/15/34/73/180153473.db2.gz ZTSGLWWAHWKBAM-BPCQOVAHSA-N 1 0 265.353 2.268 10 0 CEAERO CC[NH2+]Cc1cncc(Oc2cc(OC)cc(OC)c2)n1 ZINC000091434004 180154230 /nfs/dbraw/zinc/15/42/30/180154230.db2.gz WXZLJXSQTMVQLK-UHFFFAOYSA-N 1 0 289.335 2.396 10 0 CEAERO C[NH2+]Cc1cncc(Oc2c(OC)cccc2OC)n1 ZINC000091434144 180154422 /nfs/dbraw/zinc/15/44/22/180154422.db2.gz FASVFMZBUNMKMM-UHFFFAOYSA-N 1 0 275.308 2.006 10 0 CEAERO CCCNc1ncccc1CN1CCC[C@@H]([NH+](C)C)C1 ZINC000091450208 180157868 /nfs/dbraw/zinc/15/78/68/180157868.db2.gz HCCWUHGBIMDJAX-OAHLLOKOSA-N 1 0 276.428 2.430 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccsc1)N(C)CC1CC(O)C1 ZINC000091451824 180158731 /nfs/dbraw/zinc/15/87/31/180158731.db2.gz AEUKYDNXSOOFCG-HOFDXXJLSA-N 1 0 268.426 2.229 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccc(OC)cc1)N(C)CC1CC(O)C1 ZINC000091463324 180162583 /nfs/dbraw/zinc/16/25/83/180162583.db2.gz BJPXITPDADFXBS-MPCAOIJTSA-N 1 0 292.423 2.176 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccc(OC)cc1)N(C)CC1CC(O)C1 ZINC000091463330 180162704 /nfs/dbraw/zinc/16/27/04/180162704.db2.gz BJPXITPDADFXBS-BLMDWJLWSA-N 1 0 292.423 2.176 10 0 CEAERO CCc1nn(CC)c(C[C@@H](O)C[NH2+]C(C)C)c1Cl ZINC000091467324 180164472 /nfs/dbraw/zinc/16/44/72/180164472.db2.gz SAULMUTXIPJCCJ-SNVBAGLBSA-N 1 0 273.808 2.020 10 0 CEAERO CCOc1ccc([C@@](C)(O)CC[NH3+])cc1OCC ZINC000091469300 180164772 /nfs/dbraw/zinc/16/47/72/180164772.db2.gz PBULYBUYIIJKJP-AWEZNQCLSA-N 1 0 253.342 2.040 10 0 CEAERO Cc1cc(C(=O)N(C)CC2CC([NH3+])C2)c2ccccc2n1 ZINC000091475145 180165712 /nfs/dbraw/zinc/16/57/12/180165712.db2.gz KAPRJQCOLWWYPH-UHFFFAOYSA-N 1 0 283.375 2.353 10 0 CEAERO CN(CC1CC([NH3+])C1)C(=O)Nc1cccc(F)c1 ZINC000091474719 180165792 /nfs/dbraw/zinc/16/57/92/180165792.db2.gz CJGINRCALIJQFB-UHFFFAOYSA-N 1 0 251.305 2.027 10 0 CEAERO CSC1(C(N)=S)CC[NH+](CCC(F)(F)F)CC1 ZINC000091488301 180168615 /nfs/dbraw/zinc/16/86/15/180168615.db2.gz JDCQLGBCMOREOL-UHFFFAOYSA-N 1 0 286.388 2.423 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1N1C(=O)CC2(CCCCC2)CC1=O ZINC000091497274 180173033 /nfs/dbraw/zinc/17/30/33/180173033.db2.gz ZNJRXBJSZRJLKV-STQMWFEESA-N 1 0 278.396 2.226 10 0 CEAERO CCC[NH2+][C@H]([C@@H](C)c1ccncc1)C(C)(C)S(C)(=O)=O ZINC000091379989 180144006 /nfs/dbraw/zinc/14/40/06/180144006.db2.gz JYAGYXLGOZJGFR-GXTWGEPZSA-N 1 0 298.452 2.377 10 0 CEAERO COc1cc(C[NH2+]CC2CC(O)C2)cc(Cl)c1OC ZINC000091423661 180151207 /nfs/dbraw/zinc/15/12/07/180151207.db2.gz ZFNNJSJKNOEMMV-UHFFFAOYSA-N 1 0 285.771 2.218 10 0 CEAERO CCOCCN(CC)c1cncc(C[NH2+]CC(C)C)n1 ZINC000091421669 180151270 /nfs/dbraw/zinc/15/12/70/180151270.db2.gz FOQRFVHEKLUPKR-UHFFFAOYSA-N 1 0 280.416 2.085 10 0 CEAERO COc1ccc(CC[C@@H](O)C(C)(C)[NH+]2CCOCC2)cc1 ZINC000091565695 180193689 /nfs/dbraw/zinc/19/36/89/180193689.db2.gz VWSJPLJHVQKCKA-MRXNPFEDSA-N 1 0 293.407 2.100 10 0 CEAERO CC[NH2+][C@H](c1cnccn1)C(C)(C)N1CCCCC1 ZINC000091565083 180193755 /nfs/dbraw/zinc/19/37/55/180193755.db2.gz AFSMFVGXOKAZJM-CQSZACIVSA-N 1 0 262.401 2.392 10 0 CEAERO CC(C)([C@@H]([NH3+])c1cncc(F)c1)N1CCCCC1 ZINC000091564598 180193761 /nfs/dbraw/zinc/19/37/61/180193761.db2.gz AKYMNMQSSLKYNA-ZDUSSCGKSA-N 1 0 251.349 2.485 10 0 CEAERO CC(C)([C@H]([NH3+])c1cccc2cnccc21)N1CCOCC1 ZINC000091566323 180194022 /nfs/dbraw/zinc/19/40/22/180194022.db2.gz ZNUPKBPNRQYCPR-MRXNPFEDSA-N 1 0 285.391 2.345 10 0 CEAERO C[NH2+][C@@H]([C@H]1CCOC1)C(C)(C)N1CCCCCC1 ZINC000091568144 180194613 /nfs/dbraw/zinc/19/46/13/180194613.db2.gz PPOUGDXZIGCFNI-KBPBESRZSA-N 1 0 254.418 2.266 10 0 CEAERO CC(C)n1ncnc1C[C@@H](O)C(C)(C)[NH+]1CCCCCC1 ZINC000091567503 180194782 /nfs/dbraw/zinc/19/47/82/180194782.db2.gz OQYUFAPXPFEQKC-CQSZACIVSA-N 1 0 294.443 2.417 10 0 CEAERO CC[C@@](C)([C@@H](N)Cc1ccccc1OC)[NH+](C)C ZINC000091570158 180195623 /nfs/dbraw/zinc/19/56/23/180195623.db2.gz WVZPSLWVKUZKGZ-GJZGRUSLSA-N 1 0 250.386 2.295 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)C(=O)Cc1ncnn1C(C)C ZINC000091572562 180196194 /nfs/dbraw/zinc/19/61/94/180196194.db2.gz HBWXDNOPLHICAN-HNNXBMFYSA-N 1 0 280.416 2.481 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)C(=O)CCCS(=O)(=O)CC ZINC000091572680 180196230 /nfs/dbraw/zinc/19/62/30/180196230.db2.gz GDZHLHWAAOYYLB-AWEZNQCLSA-N 1 0 291.457 2.281 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@H](O)Cc1ccccn1 ZINC000091572756 180196356 /nfs/dbraw/zinc/19/63/56/180196356.db2.gz VQAYWQKMOQIEBK-CABCVRRESA-N 1 0 250.386 2.496 10 0 CEAERO CCn1cc(C[C@@H](N)[C@](C)(CC)[NH+](CC)CC)cn1 ZINC000091573692 180196384 /nfs/dbraw/zinc/19/63/84/180196384.db2.gz JPXQKTCEKVCDDM-CABCVRRESA-N 1 0 266.433 2.283 10 0 CEAERO CCN(CC)[C@@](C)(CC)[C@H]([NH3+])CCCS(=O)(=O)CC ZINC000091573468 180196565 /nfs/dbraw/zinc/19/65/65/180196565.db2.gz XCBZCJKFVOGESH-KGLIPLIRSA-N 1 0 292.489 2.039 10 0 CEAERO CCCn1ncnc1C[C@@H](N)[C@](C)(CC)[NH+](CC)CC ZINC000091574051 180197339 /nfs/dbraw/zinc/19/73/39/180197339.db2.gz SKPBGIIAKKUNMG-HIFRSBDPSA-N 1 0 281.448 2.068 10 0 CEAERO CCCc1nn(C)c(NCCCC[N@H+](C)C(C)C)c1N ZINC000091576713 180197831 /nfs/dbraw/zinc/19/78/31/180197831.db2.gz GTLROYNSPQBPSM-UHFFFAOYSA-N 1 0 281.448 2.487 10 0 CEAERO CCCc1nn(C)c(NCC2CC[NH+](CC)CC2)c1N ZINC000091581620 180199097 /nfs/dbraw/zinc/19/90/97/180199097.db2.gz UMVBHYVPYOPBQD-UHFFFAOYSA-N 1 0 279.432 2.099 10 0 CEAERO CC[C@@](C)([C@@H](O)c1c(C)ccnc1N)[NH+]1CCCC1 ZINC000091602530 180203216 /nfs/dbraw/zinc/20/32/16/180203216.db2.gz OEMNMMPXWVSTMG-ZFWWWQNUSA-N 1 0 263.385 2.270 10 0 CEAERO CC[NH2+][C@@H](c1cncnc1)[C@@](C)(CC)N1CCCC1 ZINC000091607180 180204347 /nfs/dbraw/zinc/20/43/47/180204347.db2.gz ZKCMWSIJXKJIFK-LSDHHAIUSA-N 1 0 262.401 2.392 10 0 CEAERO CC[C@@](C)([C@@H](NC)c1cccnc1N)[NH+]1CCCC1 ZINC000091607007 180204442 /nfs/dbraw/zinc/20/44/42/180204442.db2.gz XWFMDDJOLBNEIC-ZFWWWQNUSA-N 1 0 262.401 2.189 10 0 CEAERO CCn1cc([C@H]([NH2+]C)[C@](C)(CC)N2CCCC2)cn1 ZINC000091606807 180204508 /nfs/dbraw/zinc/20/45/08/180204508.db2.gz OESCXAUGSOQMSZ-GJZGRUSLSA-N 1 0 264.417 2.428 10 0 CEAERO CC[NH2+][C@@H](Cc1cnn(C)c1)[C@@](C)(CC)N1CCCC1 ZINC000091607224 180204523 /nfs/dbraw/zinc/20/45/23/180204523.db2.gz AHMMOUVSAHXLAD-JKSUJKDBSA-N 1 0 278.444 2.205 10 0 CEAERO CC[C@](C)([C@@H](O)CCc1ccccc1)[NH+]1CCOCC1 ZINC000091610952 180205007 /nfs/dbraw/zinc/20/50/07/180205007.db2.gz UVLYZKJPVPQXTC-DLBZAZTESA-N 1 0 277.408 2.481 10 0 CEAERO CCCn1ncnc1C[C@@H](N)[C@](C)(CC)[NH+]1CCCCC1 ZINC000091609452 180205391 /nfs/dbraw/zinc/20/53/91/180205391.db2.gz RXVOPZPJOPFTKT-ZBFHGGJFSA-N 1 0 293.459 2.213 10 0 CEAERO CC[C@@](C)([C@H]([NH3+])Cc1cccc(F)c1F)N1CCOCC1 ZINC000091611625 180206371 /nfs/dbraw/zinc/20/63/71/180206371.db2.gz HTIATJSRRZZGLJ-ZBFHGGJFSA-N 1 0 298.377 2.336 10 0 CEAERO CC[C@](C)([C@@H]([NH3+])c1cc(F)cc(F)c1)N1CCOCC1 ZINC000091611924 180206501 /nfs/dbraw/zinc/20/65/01/180206501.db2.gz AHMLPUMDAANFFD-LSDHHAIUSA-N 1 0 284.350 2.466 10 0 CEAERO CC[C@](C)([C@@H](O)CC1CCCC1)[NH+]1CCOCC1 ZINC000091611216 180206725 /nfs/dbraw/zinc/20/67/25/180206725.db2.gz AKXASBBTILOFLN-LSDHHAIUSA-N 1 0 255.402 2.429 10 0 CEAERO CC[C@](C)([C@@H](O)c1cccs1)[NH+]1CCOCC1 ZINC000091611056 180206782 /nfs/dbraw/zinc/20/67/82/180206782.db2.gz QIUHKZLCQLZPEF-QWHCGFSZSA-N 1 0 255.383 2.282 10 0 CEAERO CC[NH2+][C@H](c1cccnc1)[C@](C)(CC)N1CCOCC1 ZINC000091612849 180206944 /nfs/dbraw/zinc/20/69/44/180206944.db2.gz NZOMTNUDTQTEFS-CVEARBPZSA-N 1 0 277.412 2.233 10 0 CEAERO CC[NH2+][C@@H](c1cncc(F)c1)[C@](C)(CC)N1CCOCC1 ZINC000091612995 180207373 /nfs/dbraw/zinc/20/73/73/180207373.db2.gz TYSWFQVWXKCIHR-HOTGVXAUSA-N 1 0 295.402 2.372 10 0 CEAERO CC[C@](C)([C@H]([NH2+]C)c1cccc(OC)c1)N1CCOCC1 ZINC000091612326 180207436 /nfs/dbraw/zinc/20/74/36/180207436.db2.gz OZKYRICBCGBZQM-IAGOWNOFSA-N 1 0 292.423 2.457 10 0 CEAERO CC[C@@](C)([C@@H]([NH3+])Cc1ccc(F)cc1)N1CCOCC1 ZINC000091612007 180207522 /nfs/dbraw/zinc/20/75/22/180207522.db2.gz BYNMLOICFQFGOG-HOTGVXAUSA-N 1 0 280.387 2.196 10 0 CEAERO CCC(CC)([C@H]([NH2+]C)c1cnccc1N)N(C)C ZINC000091614368 180207883 /nfs/dbraw/zinc/20/78/83/180207883.db2.gz FHDWWFPQCWYVFD-CYBMUJFWSA-N 1 0 250.390 2.045 10 0 CEAERO CCc1cc(C[C@@H](N)C(CC)(CC)[NH+](C)C)n(CC)n1 ZINC000091614062 180208166 /nfs/dbraw/zinc/20/81/66/180208166.db2.gz ZTEPOJWOFOBXJX-OAHLLOKOSA-N 1 0 280.460 2.456 10 0 CEAERO CCC(CC)([C@@H](O)c1c(C)ccnc1N)[NH+](C)C ZINC000091613480 180208256 /nfs/dbraw/zinc/20/82/56/180208256.db2.gz RGIADMICQDHUJB-LBPRGKRZSA-N 1 0 251.374 2.126 10 0 CEAERO Cc1nc(NC(=O)[C@@H]2CCC[NH2+]C2)ccc1Br ZINC000091507198 180176108 /nfs/dbraw/zinc/17/61/08/180176108.db2.gz FMPFKIHEZSGOIE-SECBINFHSA-N 1 0 298.184 2.091 10 0 CEAERO CC(C)(C)[NH2+]CC[C@](C)(O)c1cc(Cl)cnc1N ZINC000091506237 180176307 /nfs/dbraw/zinc/17/63/07/180176307.db2.gz CXMIKTFRYBUITN-ZDUSSCGKSA-N 1 0 271.792 2.303 10 0 CEAERO CCn1cc(C[C@@H]([NH2+]C)C(CC)(CC)N(C)C)cn1 ZINC000091614360 180208291 /nfs/dbraw/zinc/20/82/91/180208291.db2.gz CIPCKVFFZWRWQZ-CQSZACIVSA-N 1 0 266.433 2.154 10 0 CEAERO COc1ccc(C[NH2+]CC2CC(O)C2)cc1Cl ZINC000091524820 180179120 /nfs/dbraw/zinc/17/91/20/180179120.db2.gz RMFFPMVZBCZQKJ-UHFFFAOYSA-N 1 0 255.745 2.209 10 0 CEAERO CCn1ccnc1[C@@H](NC)C(C)(C)[NH+](CC)CC ZINC000091531009 180180242 /nfs/dbraw/zinc/18/02/42/180180242.db2.gz GNDOXLKTTHGHQN-GFCCVEGCSA-N 1 0 252.406 2.284 10 0 CEAERO C[NH2+][C@@H](c1ccc(OC)c(F)c1)C(C)(C)N(C)C ZINC000091528839 180180429 /nfs/dbraw/zinc/18/04/29/180180429.db2.gz PRZLPRGBAVQKBZ-ZDUSSCGKSA-N 1 0 254.349 2.435 10 0 CEAERO CCn1nc(C[C@@H](N)C(C)(C)[NH+](C)C)c2ccccc21 ZINC000091528510 180180539 /nfs/dbraw/zinc/18/05/39/180180539.db2.gz AYNIRRVGEGGPDX-OAHLLOKOSA-N 1 0 274.412 2.266 10 0 CEAERO C[NH2+][C@@H](c1ccc(OC)c(OC)c1)C(C)(C)N(C)C ZINC000091528667 180180770 /nfs/dbraw/zinc/18/07/70/180180770.db2.gz MWHKAYQQOSMRBN-AWEZNQCLSA-N 1 0 266.385 2.305 10 0 CEAERO CCN(CC)C(C)(C)[C@H]([NH2+]C)c1cc(C)cnc1N ZINC000091530708 180180780 /nfs/dbraw/zinc/18/07/80/180180780.db2.gz GUIVJYNVOXJEDR-CYBMUJFWSA-N 1 0 264.417 2.353 10 0 CEAERO CCN[C@@H](c1nccn1CC)C(C)(C)[NH+]1CCCC1 ZINC000091535711 180181906 /nfs/dbraw/zinc/18/19/06/180181906.db2.gz JLISUKDKZKPWOM-ZDUSSCGKSA-N 1 0 264.417 2.428 10 0 CEAERO CC[NH2+][C@H](c1cccnc1N)C(C)(C)N1CCCC1 ZINC000091535958 180182361 /nfs/dbraw/zinc/18/23/61/180182361.db2.gz SGGZGDYUOJHNAX-CYBMUJFWSA-N 1 0 262.401 2.189 10 0 CEAERO CSc1ccc(CN(C)C(=O)[C@H]2CC[C@H]([NH3+])C2)cc1 ZINC000091541246 180183438 /nfs/dbraw/zinc/18/34/38/180183438.db2.gz FYLASYDTJVPVOU-STQMWFEESA-N 1 0 278.421 2.494 10 0 CEAERO CCOc1cc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)ccc1OC ZINC000091544059 180184995 /nfs/dbraw/zinc/18/49/95/180184995.db2.gz CPFQIOPKPFUDND-QWRGUYRKSA-N 1 0 278.352 2.160 10 0 CEAERO COc1ccccc1CN(C(=O)[C@H]1CC[C@H]([NH3+])C1)C1CC1 ZINC000091549003 180188176 /nfs/dbraw/zinc/18/81/76/180188176.db2.gz BQKPOQJCVZDZCO-JSGCOSHPSA-N 1 0 288.391 2.314 10 0 CEAERO CCCn1nccc1[C@@H](O)C1([NH+](C)C)CCCC1 ZINC000091636796 180210859 /nfs/dbraw/zinc/21/08/59/180210859.db2.gz FFUIAZYBXPXHMY-CYBMUJFWSA-N 1 0 251.374 2.201 10 0 CEAERO CCc1nn(C)c(C[C@@H](O)C2([NH+](C)C)CCCC2)c1Cl ZINC000091636640 180211547 /nfs/dbraw/zinc/21/15/47/180211547.db2.gz NVUTTXXGGCOQCB-CYBMUJFWSA-N 1 0 299.846 2.414 10 0 CEAERO COc1c(C)cnc(C[C@H](N)C2([NH+](C)C)CCCC2)c1C ZINC000091637163 180211577 /nfs/dbraw/zinc/21/15/77/180211577.db2.gz IWXVNWMOTUKTRE-HNNXBMFYSA-N 1 0 291.439 2.451 10 0 CEAERO CCC(CC)([C@@H](N)Cc1ncnn1C(C)C)[NH+]1CCCC1 ZINC000091635021 180211653 /nfs/dbraw/zinc/21/16/53/180211653.db2.gz VUZWMSQGOCJZCI-AWEZNQCLSA-N 1 0 293.459 2.383 10 0 CEAERO CC[NH2+][C@@H](c1cnn(CC)c1)C1(N(C)C)CCCC1 ZINC000091638155 180211992 /nfs/dbraw/zinc/21/19/92/180211992.db2.gz HPQCEEJILCZIST-AWEZNQCLSA-N 1 0 264.417 2.428 10 0 CEAERO COc1ccccc1C[C@H](N)C1([NH+](C)C)CCCC1 ZINC000091637467 180212335 /nfs/dbraw/zinc/21/23/35/180212335.db2.gz DKBZCPCDJNWZMI-HNNXBMFYSA-N 1 0 262.397 2.439 10 0 CEAERO CCCn1ncnc1C[C@H]([NH2+]CC)C1(N(C)C)CCCC1 ZINC000091638175 180212478 /nfs/dbraw/zinc/21/24/78/180212478.db2.gz ZQIFQWVPXKNXFS-AWEZNQCLSA-N 1 0 293.459 2.083 10 0 CEAERO CC[NH+](CC)C1([C@H](O)c2ccnn2C)CCCC1 ZINC000091639026 180212621 /nfs/dbraw/zinc/21/26/21/180212621.db2.gz NOVWDBIKOXQNQQ-CYBMUJFWSA-N 1 0 251.374 2.108 10 0 CEAERO CCn1nccc1[C@@H](N)C1([NH+]2CCCC2)CCCC1 ZINC000091640518 180213029 /nfs/dbraw/zinc/21/30/29/180213029.db2.gz GPIISPSBYSFWTI-CQSZACIVSA-N 1 0 262.401 2.311 10 0 CEAERO CC[C@H](C)C[C@@H](O)C1([NH+]2CCOCC2)CCCC1 ZINC000091642612 180213884 /nfs/dbraw/zinc/21/38/84/180213884.db2.gz VHDYYFCEBUUFMH-UONOGXRCSA-N 1 0 255.402 2.429 10 0 CEAERO CCn1ccnc1[C@@H](N)C1([NH+](C)C)CCCCC1 ZINC000091647261 180215271 /nfs/dbraw/zinc/21/52/71/180215271.db2.gz HHVQZXVKKKABRX-GFCCVEGCSA-N 1 0 250.390 2.167 10 0 CEAERO Cc1cnc(N)c([C@@H](O)C2([NH+](C)C)CCCCC2)c1 ZINC000091646866 180215421 /nfs/dbraw/zinc/21/54/21/180215421.db2.gz WBMBIRSMFRLNET-CYBMUJFWSA-N 1 0 263.385 2.270 10 0 CEAERO CC[NH2+][C@@H](Cc1cnn(C)c1)C1(N(C)C)CCC(C)CC1 ZINC000091649347 180216259 /nfs/dbraw/zinc/21/62/59/180216259.db2.gz RGKNPDCRCVZWMM-WIHSUSGWSA-N 1 0 292.471 2.451 10 0 CEAERO C[NH2+][C@H](c1cncnc1)C1(N(C)C)CCCCCC1 ZINC000091654411 180216976 /nfs/dbraw/zinc/21/69/76/180216976.db2.gz GRTASPYQWWWTLP-CQSZACIVSA-N 1 0 262.401 2.392 10 0 CEAERO Cc1cc(C[C@H](O)C2([NH+](C)C)CCCCCC2)n(C)n1 ZINC000091653858 180217028 /nfs/dbraw/zinc/21/70/28/180217028.db2.gz MCSCMSXBFKMFFF-HNNXBMFYSA-N 1 0 279.428 2.287 10 0 CEAERO C[NH+](C)C1([C@H](O)Cc2cccnc2N)CCCCCC1 ZINC000091653937 180217039 /nfs/dbraw/zinc/21/70/39/180217039.db2.gz RYMNYZDERIOIPY-CQSZACIVSA-N 1 0 277.412 2.222 10 0 CEAERO C[NH+](C)C1([C@H](N)Cc2ccnc(N)c2)CCCCCC1 ZINC000091654075 180217052 /nfs/dbraw/zinc/21/70/52/180217052.db2.gz OKRAGQWEGYOCNY-CQSZACIVSA-N 1 0 276.428 2.188 10 0 CEAERO CC[NH+]1CCC(N(C)c2nc(Cl)ncc2C)CC1 ZINC000091658683 180218394 /nfs/dbraw/zinc/21/83/94/180218394.db2.gz WJOFAGWTHAAWEX-UHFFFAOYSA-N 1 0 268.792 2.359 10 0 CEAERO c1cnc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CN2CCC1CC2 ZINC000091660180 180218427 /nfs/dbraw/zinc/21/84/27/180218427.db2.gz SOYQUNZWYPMMTH-LSDHHAIUSA-N 1 0 257.381 2.143 10 0 CEAERO Nc1cc(Cl)c(F)cc1NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091662886 180220399 /nfs/dbraw/zinc/22/03/99/180220399.db2.gz UAFOTYGXHKUJFD-ZJUUUORDSA-N 1 0 299.777 2.336 10 0 CEAERO CN1CCO[C@@H](C[NH2+]Cc2[nH]c3ccccc3c2Cl)C1 ZINC000091667687 180223490 /nfs/dbraw/zinc/22/34/90/180223490.db2.gz MWBDWOWDSGRWOX-NSHDSACASA-N 1 0 293.798 2.242 10 0 CEAERO Cc1ccsc1[C@H](C)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000091667213 180223635 /nfs/dbraw/zinc/22/36/35/180223635.db2.gz LHRUTDRVDAFBQV-NWDGAFQWSA-N 1 0 254.399 2.038 10 0 CEAERO CC[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1ccccc1F ZINC000624238818 350241851 /nfs/dbraw/zinc/24/18/51/350241851.db2.gz ZEVXHRXTQGPGML-MJBXVCDLSA-N 1 0 253.317 2.016 10 0 CEAERO CCN[C@@H](CC[NH+](CC)CC)c1nccn1CC ZINC000091716610 180232223 /nfs/dbraw/zinc/23/22/23/180232223.db2.gz MPTHXJODEHYIHP-ZDUSSCGKSA-N 1 0 252.406 2.286 10 0 CEAERO C[NH2+][C@H](c1cccc(C(F)(F)F)c1)[C@@H]1CN(C)CCO1 ZINC000091717600 180232227 /nfs/dbraw/zinc/23/22/27/180232227.db2.gz GRLBTYBMSOYTPU-QWHCGFSZSA-N 1 0 288.313 2.297 10 0 CEAERO CC(C)c1ccc(C[C@H]([NH3+])[C@H]2CN(C)CCO2)cc1 ZINC000091717307 180232387 /nfs/dbraw/zinc/23/23/87/180232387.db2.gz ZWVGJPNXGFSPPR-JKSUJKDBSA-N 1 0 262.397 2.010 10 0 CEAERO CCCOc1ccc([C@@H]([NH2+]C)[C@H]2CN(C)CCO2)cc1 ZINC000091718037 180232854 /nfs/dbraw/zinc/23/28/54/180232854.db2.gz WEBDDILCZPWRAF-HZPDHXFCSA-N 1 0 278.396 2.067 10 0 CEAERO CC[NH2+][C@H](c1ccccc1Cl)[C@H]1CN(C)CCO1 ZINC000091718289 180233124 /nfs/dbraw/zinc/23/31/24/180233124.db2.gz YQDAAAMCILOSDT-ZIAGYGMSSA-N 1 0 268.788 2.321 10 0 CEAERO CC[NH2+][C@@H](c1cc(Cl)ccc1OC)[C@H]1CN(C)CCO1 ZINC000091718708 180233330 /nfs/dbraw/zinc/23/33/30/180233330.db2.gz WMHYBEPKUKODHA-CABCVRRESA-N 1 0 298.814 2.330 10 0 CEAERO CC[NH2+][C@H](Cc1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000091718519 180233359 /nfs/dbraw/zinc/23/33/59/180233359.db2.gz SNAMVSIFRPUJPM-CABCVRRESA-N 1 0 282.815 2.191 10 0 CEAERO CCC[NH2+][C@H](Cc1ccc(F)cc1F)[C@H]1CN(C)CCO1 ZINC000091719433 180234158 /nfs/dbraw/zinc/23/41/58/180234158.db2.gz IRWXYVFZUFQBHT-HZPDHXFCSA-N 1 0 298.377 2.206 10 0 CEAERO C[NH2+][C@@H](CN(C)C)c1ccccc1OC(F)(F)F ZINC000091719690 180234161 /nfs/dbraw/zinc/23/41/61/180234161.db2.gz LGGDXJMQILFPCY-JTQLQIEISA-N 1 0 262.275 2.407 10 0 CEAERO Cc1ccc(C)c([C@H]([NH3+])[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000091720651 180236805 /nfs/dbraw/zinc/23/68/05/180236805.db2.gz XHNGWWSPIFXXLO-BMFZPTHFSA-N 1 0 260.381 2.166 10 0 CEAERO C[C@H]([NH2+]C[C@@H]1CCO[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000235505329 539777184 /nfs/dbraw/zinc/77/71/84/539777184.db2.gz HGGBUFURTZREAR-SCRDCRAPSA-N 1 0 297.420 2.166 10 0 CEAERO CCc1ccc(C(=O)N2CCCC[C@H]2CC[NH3+])o1 ZINC000091762759 180248324 /nfs/dbraw/zinc/24/83/24/180248324.db2.gz GTLSJZJSKOCHGN-NSHDSACASA-N 1 0 250.342 2.186 10 0 CEAERO CCc1ccc(C(=O)N(C)[C@H]2CCC[C@H]2C[NH3+])o1 ZINC000091762947 180248351 /nfs/dbraw/zinc/24/83/51/180248351.db2.gz KXJQQABFVOJGCG-JQWIXIFHSA-N 1 0 250.342 2.041 10 0 CEAERO CCc1ccc(C(=O)N2C[C@@H](CC)[NH2+]C[C@H]2CC)o1 ZINC000091762868 180248499 /nfs/dbraw/zinc/24/84/99/180248499.db2.gz LJUKKTBYCPZLJK-VXGBXAGGSA-N 1 0 264.369 2.445 10 0 CEAERO CCc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[NH2+]2)o1 ZINC000091762529 180248503 /nfs/dbraw/zinc/24/85/03/180248503.db2.gz GGMAEVUZMYECLX-QWHCGFSZSA-N 1 0 262.353 2.199 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1cnn(C)c1)n1ccnc1-c1ccccc1 ZINC000105554323 186063089 /nfs/dbraw/zinc/06/30/89/186063089.db2.gz KKFFRHIVBAXZCC-WFASDCNBSA-N 1 0 281.363 2.220 10 0 CEAERO c1ccn(N[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000091783992 180255701 /nfs/dbraw/zinc/25/57/01/180255701.db2.gz TVSPJJUZXRVHCF-INIZCTEOSA-N 1 0 255.365 2.349 10 0 CEAERO CC[NH2+][C@H](c1ccc(F)cc1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721873 180240601 /nfs/dbraw/zinc/24/06/01/180240601.db2.gz FAKKIXJBHDYSRR-OWCLPIDISA-N 1 0 278.371 2.340 10 0 CEAERO CN1CCO[C@@H](C[NH2+]Cc2cccc(Cl)c2Cl)C1 ZINC000105472007 186058901 /nfs/dbraw/zinc/05/89/01/186058901.db2.gz SJEXTRSQOAWZCV-NSHDSACASA-N 1 0 289.206 2.414 10 0 CEAERO Cc1noc(CC[NH2+]Cc2ccc(Cl)cc2)n1 ZINC000105470138 186058946 /nfs/dbraw/zinc/05/89/46/186058946.db2.gz MSZBBLFQHHPRNU-UHFFFAOYSA-N 1 0 251.717 2.364 10 0 CEAERO Cc1noc(CC[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)n1 ZINC000105469786 186059313 /nfs/dbraw/zinc/05/93/13/186059313.db2.gz VWFOPPZJWQQODC-CABZTGNLSA-N 1 0 261.325 2.427 10 0 CEAERO Cc1noc(CC[NH2+]Cc2cc(F)c(F)c(F)c2)n1 ZINC000105469051 186059484 /nfs/dbraw/zinc/05/94/84/186059484.db2.gz IFILCNHLCWAIOS-UHFFFAOYSA-N 1 0 271.242 2.128 10 0 CEAERO CCC[NH2+][C@@H]1CCCC[C@H]1c1nc(CN(C)C)no1 ZINC000091747637 180245168 /nfs/dbraw/zinc/24/51/68/180245168.db2.gz XKXUTPJWZRFYIS-VXGBXAGGSA-N 1 0 266.389 2.157 10 0 CEAERO CCN(C(=O)c1occc1C)C1CCC([NH3+])CC1 ZINC000091850446 180272462 /nfs/dbraw/zinc/27/24/62/180272462.db2.gz XZDDNXSQUMZDDR-UHFFFAOYSA-N 1 0 250.342 2.320 10 0 CEAERO CCCN(C(=O)NC(C)(C)C)C1CCC([NH3+])CC1 ZINC000091852132 180272990 /nfs/dbraw/zinc/27/29/90/180272990.db2.gz SQXVGNMYYWHKID-UHFFFAOYSA-N 1 0 255.406 2.476 10 0 CEAERO CCCN(C(=O)[C@H]1CCCCO1)C1CCC([NH3+])CC1 ZINC000091851873 180273025 /nfs/dbraw/zinc/27/30/25/180273025.db2.gz QTBFSWFHCJQMDV-JXQTWKCFSA-N 1 0 268.401 2.064 10 0 CEAERO CCCN(C(=O)CCSC)C1CCC([NH3+])CC1 ZINC000091852064 180273231 /nfs/dbraw/zinc/27/32/31/180273231.db2.gz PJMQRFPJTAUCGN-UHFFFAOYSA-N 1 0 258.431 2.248 10 0 CEAERO CCn1cc(C[N@H+](C)C2CCC3(CC2)OCCO3)cn1 ZINC000091853715 180273796 /nfs/dbraw/zinc/27/37/96/180273796.db2.gz GCJCIPFHSCWQQQ-UHFFFAOYSA-N 1 0 279.384 2.021 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)[C@@H]2Cc3ccccc32)CC1 ZINC000091854520 180274654 /nfs/dbraw/zinc/27/46/54/180274654.db2.gz SEZZNZWIWGEMIG-ZBCRRDGASA-N 1 0 272.392 2.315 10 0 CEAERO CCC[NH2+][C@H](C)c1cccn1Cc1nnc(C)n1C ZINC000091802976 180259813 /nfs/dbraw/zinc/25/98/13/180259813.db2.gz SQVQFBPYKNFECW-LLVKDONJSA-N 1 0 261.373 2.034 10 0 CEAERO CCCCNC(=O)Cn1ccc([C@H](C)[NH2+]CC)c1 ZINC000091805167 180259922 /nfs/dbraw/zinc/25/99/22/180259922.db2.gz XEMFNHXHJPMUPR-LBPRGKRZSA-N 1 0 251.374 2.075 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccn(CCCC(=O)N(C)C)c1 ZINC000091806710 180260549 /nfs/dbraw/zinc/26/05/49/180260549.db2.gz RDYAOTPUYCFVOE-ZDUSSCGKSA-N 1 0 265.401 2.417 10 0 CEAERO CCCCNC(=O)Cn1ccc([C@H](C)[NH2+]CCC)c1 ZINC000091806150 180260880 /nfs/dbraw/zinc/26/08/80/180260880.db2.gz UDEHNMUUKLGGGR-ZDUSSCGKSA-N 1 0 265.401 2.465 10 0 CEAERO CC[NH2+][C@@H](CC)c1ccn(CC(=O)NCC(F)(F)F)c1 ZINC000091817353 180263081 /nfs/dbraw/zinc/26/30/81/180263081.db2.gz UBSDERKNTDLDCO-NSHDSACASA-N 1 0 291.317 2.227 10 0 CEAERO CCC[NH2+][C@@H](CC)c1ccn(CC(=O)N(C)C)c1 ZINC000091817539 180263085 /nfs/dbraw/zinc/26/30/85/180263085.db2.gz UJPVUUKBYWNFGX-ZDUSSCGKSA-N 1 0 251.374 2.027 10 0 CEAERO CCC[NH2+][C@@H](CC)c1ccn(CC(=O)NC(C)C)c1 ZINC000091817671 180263116 /nfs/dbraw/zinc/26/31/16/180263116.db2.gz DLNOMQKLEUTENL-AWEZNQCLSA-N 1 0 265.401 2.463 10 0 CEAERO CC[C@H](C)NC(=O)Cn1ccc([C@H](CC)[NH2+]C)c1 ZINC000091816614 180263186 /nfs/dbraw/zinc/26/31/86/180263186.db2.gz DVSFPDXHHPSWKD-AAEUAGOBSA-N 1 0 251.374 2.073 10 0 CEAERO CCC[C@H]([NH2+]CC)c1ccn(CC(=O)NCC)c1 ZINC000091822985 180263925 /nfs/dbraw/zinc/26/39/25/180263925.db2.gz MFMMNYMNIOCKBT-ZDUSSCGKSA-N 1 0 251.374 2.075 10 0 CEAERO CC[NH2+][C@@H](c1ccn(CCCS(C)(=O)=O)c1)C(C)C ZINC000091827475 180264742 /nfs/dbraw/zinc/26/47/42/180264742.db2.gz SKIVMSLWWPNJQQ-CQSZACIVSA-N 1 0 286.441 2.229 10 0 CEAERO CCC[C@@H](C)NC(=O)Cn1ccc([C@@H]([NH3+])C(C)C)c1 ZINC000091826321 180265282 /nfs/dbraw/zinc/26/52/82/180265282.db2.gz MKWCKYGKBHFJHM-DOMZBBRYSA-N 1 0 265.401 2.449 10 0 CEAERO CN(c1nccc(C(F)(F)F)n1)C1CCC([NH3+])CC1 ZINC000091849553 180270994 /nfs/dbraw/zinc/27/09/94/180270994.db2.gz LEJMTKVUAXLNAB-UHFFFAOYSA-N 1 0 274.290 2.202 10 0 CEAERO CCN(C(=O)[C@H]1Cc2ccccc2O1)C1CCC([NH3+])CC1 ZINC000091850192 180271958 /nfs/dbraw/zinc/27/19/58/180271958.db2.gz FQHJLKFFOSSNSW-ZBCRRDGASA-N 1 0 288.391 2.109 10 0 CEAERO CC(C)[N@@H+]1CCO[C@H](CSc2cccc(N)c2)C1 ZINC000091927267 180287589 /nfs/dbraw/zinc/28/75/89/180287589.db2.gz IPWLNYIHKBCYPI-ZDUSSCGKSA-N 1 0 266.410 2.470 10 0 CEAERO CC[NH2+]Cc1ncoc1-c1ccc(OC)cc1OC ZINC000091957768 180292497 /nfs/dbraw/zinc/29/24/97/180292497.db2.gz HLXXBEZPDLREQJ-UHFFFAOYSA-N 1 0 262.309 2.468 10 0 CEAERO CC[NH2+]Cc1ncoc1-c1cccc(OC)c1OC ZINC000091957854 180292739 /nfs/dbraw/zinc/29/27/39/180292739.db2.gz DTHSGUYWDKAVAE-UHFFFAOYSA-N 1 0 262.309 2.468 10 0 CEAERO Cc1ccccc1N(CCC[NH3+])C(=O)N1CCCC1 ZINC000091962948 180293051 /nfs/dbraw/zinc/29/30/51/180293051.db2.gz SEZSSZIHHOGIKQ-UHFFFAOYSA-N 1 0 261.369 2.366 10 0 CEAERO CCN(CC)C(=O)N(CCC[NH3+])c1ccc(F)cc1 ZINC000091961432 180293286 /nfs/dbraw/zinc/29/32/86/180293286.db2.gz POBHIAZJNUQCKG-UHFFFAOYSA-N 1 0 267.348 2.443 10 0 CEAERO CCN(CC)C(=O)N(CCC[NH3+])c1ccccc1F ZINC000091961435 180293298 /nfs/dbraw/zinc/29/32/98/180293298.db2.gz VQYFXXJLDOXQOZ-UHFFFAOYSA-N 1 0 267.348 2.443 10 0 CEAERO CCCc1nnsc1C(=O)N(C)C1CCC([NH2+]C)CC1 ZINC000091872125 180277910 /nfs/dbraw/zinc/27/79/10/180277910.db2.gz GKWDWXYSBMXMPL-UHFFFAOYSA-N 1 0 296.440 2.093 10 0 CEAERO C[NH2+]C1CCC(Nc2ccc(C(N)=O)c(Cl)c2)CC1 ZINC000091873514 180278088 /nfs/dbraw/zinc/27/80/88/180278088.db2.gz GMSDMOAXIJACFJ-UHFFFAOYSA-N 1 0 281.787 2.381 10 0 CEAERO C[NH2+]C1CCC(Nc2ccccc2S(C)(=O)=O)CC1 ZINC000091873490 180278290 /nfs/dbraw/zinc/27/82/90/180278290.db2.gz DYKJKOQGYXDPBS-UHFFFAOYSA-N 1 0 282.409 2.033 10 0 CEAERO C[NH2+]C1CCC(N(C)c2cc(OC(C)C)ncn2)CC1 ZINC000091873716 180278757 /nfs/dbraw/zinc/27/87/57/180278757.db2.gz VUPJDMVUUDCMFI-UHFFFAOYSA-N 1 0 278.400 2.231 10 0 CEAERO O=C(N1CCCCC1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000091969466 180294678 /nfs/dbraw/zinc/29/46/78/180294678.db2.gz CDZUUAKUBPUOFH-ZIAGYGMSSA-N 1 0 265.401 2.199 10 0 CEAERO [NH3+]CCN(Cc1ccccc1)C(=O)N1CCCCC1 ZINC000091969057 180294719 /nfs/dbraw/zinc/29/47/19/180294719.db2.gz PGSLLEXZVXUZHM-UHFFFAOYSA-N 1 0 261.369 2.053 10 0 CEAERO C[C@@](O)(c1ccccc1)[C@@]1(C[NH3+])COc2ccccc2C1 ZINC000091905426 180284132 /nfs/dbraw/zinc/28/41/32/180284132.db2.gz HOGLBPMBCAUERF-MSOLQXFVSA-N 1 0 283.371 2.474 10 0 CEAERO CC(C)(C)C1CCC(C[NH3+])([C@@]2(O)CCOC2)CC1 ZINC000091907780 180284370 /nfs/dbraw/zinc/28/43/70/180284370.db2.gz OMXVLLIJUMRPAB-PESDSKBTSA-N 1 0 255.402 2.319 10 0 CEAERO CC[C@](C)(C[NH3+])[C@H](O)c1cc2c(c(Cl)c1)OCO2 ZINC000091909942 180284583 /nfs/dbraw/zinc/28/45/83/180284583.db2.gz DLWROURKVYHWEY-CHWSQXEVSA-N 1 0 271.744 2.477 10 0 CEAERO [NH3+]C[C@]1([C@H](O)c2ccccc2)COc2ccccc2C1 ZINC000091909522 180284716 /nfs/dbraw/zinc/28/47/16/180284716.db2.gz CKYFQTCXCBSWDM-SJORKVTESA-N 1 0 269.344 2.300 10 0 CEAERO [NH3+]C[C@@]1([C@@H](O)c2ccco2)CCc2ccccc2C1 ZINC000091909541 180284739 /nfs/dbraw/zinc/28/47/39/180284739.db2.gz YRNOHNOVEQWTMC-JKSUJKDBSA-N 1 0 257.333 2.447 10 0 CEAERO CC[C@H](C[NH3+])[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000091909998 180284771 /nfs/dbraw/zinc/28/47/71/180284771.db2.gz HBSIUXZTZCMMSM-PRHODGIISA-N 1 0 271.744 2.130 10 0 CEAERO [NH3+]C[C@@]1([C@H](O)c2ccc(F)cc2)COc2ccccc2C1 ZINC000091910396 180285141 /nfs/dbraw/zinc/28/51/41/180285141.db2.gz PEYPYUQPBQISSQ-IAGOWNOFSA-N 1 0 287.334 2.439 10 0 CEAERO [NH3+]C[C@]1([C@@H](O)c2cccs2)COc2ccccc2C1 ZINC000091910099 180285220 /nfs/dbraw/zinc/28/52/20/180285220.db2.gz ZGJPXSNVYGHKHV-GJZGRUSLSA-N 1 0 275.373 2.362 10 0 CEAERO CCCC1CCC(C[NH3+])([C@]2(O)CCCOC2)CC1 ZINC000091919173 180286508 /nfs/dbraw/zinc/28/65/08/180286508.db2.gz CUYCENIWYNQPGZ-NRXISQOPSA-N 1 0 255.402 2.463 10 0 CEAERO CC[C@@H]1C[C@](O)(C2(C[NH3+])Cc3ccccc3C2)CCO1 ZINC000091918656 180286600 /nfs/dbraw/zinc/28/66/00/180286600.db2.gz FMVFDVDNMBFPSC-WBVHZDCISA-N 1 0 275.392 2.050 10 0 CEAERO CC1(C)CCC[C@](O)(C2(C[NH3+])CCOCC2)CC1 ZINC000091923509 180287106 /nfs/dbraw/zinc/28/71/06/180287106.db2.gz NIASLOIRTQFTNI-OAHLLOKOSA-N 1 0 255.402 2.463 10 0 CEAERO CCN1CCO[C@@H](COc2ccc([C@@H](C)[NH2+]C)cc2)C1 ZINC000092051116 180311942 /nfs/dbraw/zinc/31/19/42/180311942.db2.gz IBNSUASBLVHSFN-CZUORRHYSA-N 1 0 278.396 2.067 10 0 CEAERO CC1(C)C[C@@H]1[NH2+]Cc1cnc2cnc(Br)cn12 ZINC000092049852 180312004 /nfs/dbraw/zinc/31/20/04/180312004.db2.gz CLTZJNZZUFJNCN-VIFPVBQESA-N 1 0 295.184 2.380 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1CNC(=O)N1CCCCCC1 ZINC000091971957 180295616 /nfs/dbraw/zinc/29/56/16/180295616.db2.gz QIIDPAQYNVPFOZ-STQMWFEESA-N 1 0 253.390 2.090 10 0 CEAERO C[C@H]1CCC[C@](C[NH3+])(NC(=O)N2CCCCCC2)C1 ZINC000091971954 180295737 /nfs/dbraw/zinc/29/57/37/180295737.db2.gz DOKPPIXGGALXJI-ZFWWWQNUSA-N 1 0 267.417 2.480 10 0 CEAERO C[C@@H]1CCCN(C(=O)N(C)Cc2cccc(C[NH3+])c2)C1 ZINC000091972607 180296127 /nfs/dbraw/zinc/29/61/27/180296127.db2.gz FUJYAGINJNVZBT-CYBMUJFWSA-N 1 0 275.396 2.429 10 0 CEAERO C[C@@H]1CCCN(C(=O)N(C)CC[C@H]2CCCC[NH2+]2)C1 ZINC000091973148 180296519 /nfs/dbraw/zinc/29/65/19/180296519.db2.gz UTHFHPDYEXQBTI-ZIAGYGMSSA-N 1 0 267.417 2.302 10 0 CEAERO C[NH2+]CCC1CCN(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000091991289 180300095 /nfs/dbraw/zinc/30/00/95/180300095.db2.gz LFOHCYIYBXRVJC-ZDUSSCGKSA-N 1 0 267.417 2.160 10 0 CEAERO C[C@@H]1CCCN(C(=O)NC[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000091993224 180300472 /nfs/dbraw/zinc/30/04/72/180300472.db2.gz WOODDTIHOUUGAG-MCIONIFRSA-N 1 0 267.417 2.193 10 0 CEAERO Cc1ccc(OCc2nn(C)c3ccccc23)c(C[NH3+])n1 ZINC000091993851 180300842 /nfs/dbraw/zinc/30/08/42/180300842.db2.gz WZAUBLKICXEMRM-UHFFFAOYSA-N 1 0 282.347 2.314 10 0 CEAERO C[NH2+]Cc1nc(C)ccc1OCc1nccn1C(F)F ZINC000091994206 180301145 /nfs/dbraw/zinc/30/11/45/180301145.db2.gz WFUHSJQDJGWJQJ-UHFFFAOYSA-N 1 0 282.294 2.280 10 0 CEAERO Cc1ccc(O)c(C[NH2+][C@H]2CCC[C@H]2n2ccnc2)n1 ZINC000091994162 180301198 /nfs/dbraw/zinc/30/11/98/180301198.db2.gz ZJHBQIVWUYZJRG-GXTWGEPZSA-N 1 0 272.352 2.176 10 0 CEAERO CCN(C)C(=O)COc1ccc(C)nc1C[NH2+]C(C)(C)C ZINC000091996160 180301772 /nfs/dbraw/zinc/30/17/72/180301772.db2.gz DITCNZOLMVDDNW-UHFFFAOYSA-N 1 0 293.411 2.135 10 0 CEAERO Cc1ccc(OC[C@@H](O)COC(C)C)c(C[NH2+]C(C)C)n1 ZINC000091995574 180302046 /nfs/dbraw/zinc/30/20/46/180302046.db2.gz PTKVJFHAWBCPIE-AWEZNQCLSA-N 1 0 296.411 2.053 10 0 CEAERO Cc1ccc(OCCc2cccnc2)c(C[C@@H](C)[NH3+])n1 ZINC000091999874 180303441 /nfs/dbraw/zinc/30/34/41/180303441.db2.gz IFOCQWNEBBYNDO-GFCCVEGCSA-N 1 0 271.364 2.296 10 0 CEAERO CCOC(=O)CCCCCOc1ccc(C)nc1CC[NH3+] ZINC000091999712 180303501 /nfs/dbraw/zinc/30/35/01/180303501.db2.gz NEVONNBOQWOSLT-UHFFFAOYSA-N 1 0 294.395 2.394 10 0 CEAERO Cc1ncsc1CCOc1ccc(C)nc1CC[NH3+] ZINC000091999695 180303521 /nfs/dbraw/zinc/30/35/21/180303521.db2.gz HVRYFKAKYLOJBY-UHFFFAOYSA-N 1 0 277.393 2.278 10 0 CEAERO CCOC(=O)[C@H](CC)Oc1ccc(C)nc1C[C@@H](C)[NH3+] ZINC000092000062 180303704 /nfs/dbraw/zinc/30/37/04/180303704.db2.gz OOBAGRJNTNOUKW-MFKMUULPSA-N 1 0 280.368 2.000 10 0 CEAERO Cc1cc(N2CC[C@@H]([NH+]3CCCCC3)C2)ncc1N ZINC000092027423 180309485 /nfs/dbraw/zinc/30/94/85/180309485.db2.gz QLNSRMCDRCTOPL-CYBMUJFWSA-N 1 0 260.385 2.037 10 0 CEAERO CCCCCN(C)S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092115648 180327143 /nfs/dbraw/zinc/32/71/43/180327143.db2.gz KYIMMMHABRWXTQ-UHFFFAOYSA-N 1 0 288.388 2.095 10 0 CEAERO C[NH2+][C@@H](C=C(C)C)C1(N2CCOCC2)CCCC1 ZINC000092128401 180328704 /nfs/dbraw/zinc/32/87/04/180328704.db2.gz RBBGLLYARMMHGY-AWEZNQCLSA-N 1 0 252.402 2.186 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)N1CCc2sccc2[C@H]1C1CC1 ZINC000092134254 180332108 /nfs/dbraw/zinc/33/21/08/180332108.db2.gz VOMQSRZNMHIDPB-QMTHXVAHSA-N 1 0 278.421 2.439 10 0 CEAERO COC(C)(C)[C@@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000092138769 180333541 /nfs/dbraw/zinc/33/35/41/180333541.db2.gz DTZINQCAQNTJOM-ZDUSSCGKSA-N 1 0 251.326 2.273 10 0 CEAERO CC(C)Cn1c2ccc(C[NH3+])cc2nc1CC[C@@H](C)O ZINC000092150878 180334879 /nfs/dbraw/zinc/33/48/79/180334879.db2.gz RRXKKEVRIDVSQG-GFCCVEGCSA-N 1 0 275.396 2.464 10 0 CEAERO C[C@H](O)CCc1nc2cc(C[NH3+])ccc2n1C1CC1 ZINC000092150875 180334927 /nfs/dbraw/zinc/33/49/27/180334927.db2.gz MGEVTSCLVLCDLX-JTQLQIEISA-N 1 0 259.353 2.143 10 0 CEAERO C[C@H]([NH3+])c1ccc(SC[C@H]2CN(C)CCO2)cc1 ZINC000092080063 180318354 /nfs/dbraw/zinc/31/83/54/180318354.db2.gz DDANUUBTIGBWFN-WCQYABFASA-N 1 0 266.410 2.129 10 0 CEAERO COc1ccc(N)cc1NC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000092080532 180318858 /nfs/dbraw/zinc/31/88/58/180318858.db2.gz KQHBQYAOQOEZMM-TUAOUCFPSA-N 1 0 291.395 2.192 10 0 CEAERO C[NH2+][C@H](C)c1ccc(SC[C@@H]2CN(C)CCO2)cc1 ZINC000092080068 180318893 /nfs/dbraw/zinc/31/88/93/180318893.db2.gz JBGUXCZPGXZDPQ-OCCSQVGLSA-N 1 0 280.437 2.390 10 0 CEAERO C[C@@H](C(=O)Nc1cc(N)ccc1F)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000092081711 180319445 /nfs/dbraw/zinc/31/94/45/180319445.db2.gz BNXKNBARPVAEGY-AXFHLTTASA-N 1 0 279.359 2.323 10 0 CEAERO C[NH2+]Cc1nc(C(C)C)ncc1N1C[C@H](C)[C@@H](C)C1 ZINC000092088899 180321734 /nfs/dbraw/zinc/32/17/34/180321734.db2.gz MLGQIAANKXQRGU-RYUDHWBXSA-N 1 0 262.401 2.412 10 0 CEAERO CCOC(=O)[C@](C)(C[C@@H](C)[N@@H+]1C[C@H](C)[C@H](C)C1)NC1CC1 ZINC000092087670 180321795 /nfs/dbraw/zinc/32/17/95/180321795.db2.gz PBCSAFMTLKJZNT-OEUWWYETSA-N 1 0 296.455 2.427 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)Nc2ccc(F)cc2Cl)C1 ZINC000092201865 180343006 /nfs/dbraw/zinc/34/30/06/180343006.db2.gz FRLDATPYZQXDSI-APPZFPTMSA-N 1 0 254.692 2.321 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)Nc2nc3ccccc3s2)C1 ZINC000092201668 180343022 /nfs/dbraw/zinc/34/30/22/180343022.db2.gz VUXOYSMCGODZGH-IUCAKERBSA-N 1 0 259.334 2.138 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2ccccc2OC(F)(F)F)C1 ZINC000092201384 180343023 /nfs/dbraw/zinc/34/30/23/180343023.db2.gz GHYXXRRTFYQFQX-RKDXNWHRSA-N 1 0 286.253 2.427 10 0 CEAERO CCOC(=O)Nc1ccc(NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)cc1 ZINC000092203078 180343414 /nfs/dbraw/zinc/34/34/14/180343414.db2.gz RIHLNHSZAOHUKX-GHMZBOCLSA-N 1 0 289.335 2.097 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)Nc2ccc(-c3cnco3)cc2)C1 ZINC000092204145 180343620 /nfs/dbraw/zinc/34/36/20/180343620.db2.gz BKCADQXTPCXODH-RYUDHWBXSA-N 1 0 269.304 2.184 10 0 CEAERO CN(C)c1ccc(NC(=O)[C@H]2C=C[C@H]([NH3+])C2)cc1Cl ZINC000092204257 180343914 /nfs/dbraw/zinc/34/39/14/180343914.db2.gz NECWFJCCVXMTHJ-UWVGGRQHSA-N 1 0 279.771 2.248 10 0 CEAERO CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092205275 180344152 /nfs/dbraw/zinc/34/41/52/180344152.db2.gz GBKGFJWTLXUVIQ-NWDGAFQWSA-N 1 0 280.318 2.217 10 0 CEAERO CC(C)N(Cc1cccs1)C(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092206901 180344200 /nfs/dbraw/zinc/34/42/00/180344200.db2.gz SLZLFJKUFVZNSN-NWDGAFQWSA-N 1 0 264.394 2.389 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)NCC23CC4CC(CC(C4)C2)C3)C1 ZINC000092206642 180344236 /nfs/dbraw/zinc/34/42/36/180344236.db2.gz UEAKNBOPSXHDOQ-JQOLXWHASA-N 1 0 274.408 2.222 10 0 CEAERO Cc1ccc([C@H](C)N(C)C(=O)[C@@H]2C=C[C@@H]([NH3+])C2)cc1 ZINC000092204912 180344294 /nfs/dbraw/zinc/34/42/94/180344294.db2.gz QHNYGRHTCAAZJH-NWANDNLSSA-N 1 0 258.365 2.418 10 0 CEAERO CCCCN(CC(F)(F)F)C(=O)[C@H]1C=C[C@H]([NH3+])C1 ZINC000092205065 180344384 /nfs/dbraw/zinc/34/43/84/180344384.db2.gz DGRNSCAITTTZEN-UWVGGRQHSA-N 1 0 264.291 2.081 10 0 CEAERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(F)cc1F ZINC000105872302 186080452 /nfs/dbraw/zinc/08/04/52/186080452.db2.gz FBVRZOHBTPSBRC-KOLCDFICSA-N 1 0 278.306 2.222 10 0 CEAERO Cc1ccc(OC[C@@H]2COc3ccccc32)c(CC[NH3+])n1 ZINC000092305124 180360211 /nfs/dbraw/zinc/36/02/11/180360211.db2.gz QTZHVTOXNYVYMP-ZDUSSCGKSA-N 1 0 284.359 2.446 10 0 CEAERO CSc1ccc(C(=O)N2CCCC[C@H]2C[NH3+])cc1 ZINC000092231871 180348017 /nfs/dbraw/zinc/34/80/17/180348017.db2.gz FPHMOHHDIYRTRE-LBPRGKRZSA-N 1 0 264.394 2.362 10 0 CEAERO CSc1ccccc1C(=O)N[C@H]1CCCC[C@H]1[NH3+] ZINC000092231801 180348206 /nfs/dbraw/zinc/34/82/06/180348206.db2.gz IPXGDAKUEKRKIA-NEPJUHHUSA-N 1 0 264.394 2.408 10 0 CEAERO CSc1ccc(C(=O)N2CC[C@H](C)[C@@H]([NH3+])C2)cc1 ZINC000092232212 180348595 /nfs/dbraw/zinc/34/85/95/180348595.db2.gz UJNSITZNYCESCN-GWCFXTLKSA-N 1 0 264.394 2.218 10 0 CEAERO O=C(N[C@@H]1CCCC[NH2+]C1)[C@H]1CSc2ccccc21 ZINC000092239515 180350977 /nfs/dbraw/zinc/35/09/77/180350977.db2.gz JYLGGVPDPNLWRA-YPMHNXCESA-N 1 0 276.405 2.134 10 0 CEAERO c1ccc2c(c1)C[C@H](C[NH2+]CCCN1CCOCC1)S2 ZINC000092242465 180351306 /nfs/dbraw/zinc/35/13/06/180351306.db2.gz ROMXVQDOBNCBRD-OAHLLOKOSA-N 1 0 292.448 2.015 10 0 CEAERO CC(C)(C)[NH2+]Cc1cn(C[C@@H]2COc3ccccc32)nn1 ZINC000092308054 180360356 /nfs/dbraw/zinc/36/03/56/180360356.db2.gz VPTLVVGGCCVNFZ-GFCCVEGCSA-N 1 0 286.379 2.342 10 0 CEAERO COC(=O)CC[N@H+](C)C[C@@H]1Cc2ccccc2S1 ZINC000092270221 180355860 /nfs/dbraw/zinc/35/58/60/180355860.db2.gz JDDUFAFFSXYFHP-LBPRGKRZSA-N 1 0 265.378 2.198 10 0 CEAERO [NH3+]C[C@@H](CCSc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000092270404 180355894 /nfs/dbraw/zinc/35/58/94/180355894.db2.gz GJXPCDNXYQEKJE-CHWSQXEVSA-N 1 0 299.461 2.178 10 0 CEAERO CC1(C)CN(CCSc2ccccc2)CC[NH2+]1 ZINC000092272647 180356601 /nfs/dbraw/zinc/35/66/01/180356601.db2.gz QYCIQRYXPCEWGC-UHFFFAOYSA-N 1 0 250.411 2.463 10 0 CEAERO Cc1cnc(C[NH2+]C[C@H]2COc3ccccc32)cn1 ZINC000092300815 180358424 /nfs/dbraw/zinc/35/84/24/180358424.db2.gz XGYFXXLGWNGJHI-LBPRGKRZSA-N 1 0 255.321 2.051 10 0 CEAERO COc1cc(C[NH2+]C[C@@H]2COc3ccccc32)ccn1 ZINC000092300882 180358891 /nfs/dbraw/zinc/35/88/91/180358891.db2.gz WBLUBTOXHXOWAU-CYBMUJFWSA-N 1 0 270.332 2.356 10 0 CEAERO Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC[NH2+]C1CC1 ZINC000092320465 180361649 /nfs/dbraw/zinc/36/16/49/180361649.db2.gz JLAZBHKILCFUKQ-UHFFFAOYSA-N 1 0 285.395 2.190 10 0 CEAERO COCCCCC[NH+]1CCC(Cn2cccn2)CC1 ZINC000105920085 186090883 /nfs/dbraw/zinc/09/08/83/186090883.db2.gz LBYKFPDKNZYEAH-UHFFFAOYSA-N 1 0 265.401 2.412 10 0 CEAERO CC[NH2+]CCCc1c(C)nn(-c2ccc(C)nn2)c1C ZINC000092322870 180362286 /nfs/dbraw/zinc/36/22/86/180362286.db2.gz NGLMFUGDKLPGDI-UHFFFAOYSA-N 1 0 273.384 2.130 10 0 CEAERO Cc1nn(-c2cc(C)ncn2)c(C)c1CC[NH2+]C(C)C ZINC000092322856 180362425 /nfs/dbraw/zinc/36/24/25/180362425.db2.gz WXQVKCGHNYFKIB-UHFFFAOYSA-N 1 0 273.384 2.128 10 0 CEAERO C[NH2+]CCCc1c(C)nn(-c2cc(C)ccn2)c1C ZINC000092322737 180362526 /nfs/dbraw/zinc/36/25/26/180362526.db2.gz FMNACVWZGHKPHZ-UHFFFAOYSA-N 1 0 258.369 2.345 10 0 CEAERO C[C@@H](NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)c1ccccn1 ZINC000106426268 186116628 /nfs/dbraw/zinc/11/66/28/186116628.db2.gz FIVFNILWBABZDY-RHSMWYFYSA-N 1 0 297.402 2.432 10 0 CEAERO CC[C@H]([NH2+]C1C2CC3CC(C2)CC1C3)C(=O)OC ZINC000105994119 186097020 /nfs/dbraw/zinc/09/70/20/186097020.db2.gz YNAYOJGGGFLVKO-QBBLGZLKSA-N 1 0 251.370 2.352 10 0 CEAERO Cc1noc(C)c1CN[C@H](C)[C@H]1CCC[N@H+](C)C1 ZINC000092329170 180363903 /nfs/dbraw/zinc/36/39/03/180363903.db2.gz HSUJNHRUUBKXNO-MFKMUULPSA-N 1 0 251.374 2.111 10 0 CEAERO C[C@@H](NC(=O)CSC(N)=[NH2+])c1ccccc1Cl ZINC000106094766 186101906 /nfs/dbraw/zinc/10/19/06/186101906.db2.gz GGUGQIZREXZBMA-SSDOTTSWSA-N 1 0 271.773 2.144 10 0 CEAERO Cc1noc(C)c1CN1C[C@H](C(C)(C)C)[NH2+]C[C@@H]1C ZINC000092342807 180366209 /nfs/dbraw/zinc/36/62/09/180366209.db2.gz GJPGJWXRPIKRRZ-IINYFYTJSA-N 1 0 265.401 2.500 10 0 CEAERO NC(=S)[C@H]1CCC[N@@H+]1Cc1ccnc2ccccc12 ZINC000092347824 180367246 /nfs/dbraw/zinc/36/72/46/180367246.db2.gz GHNXTPPOYYEEMT-CQSZACIVSA-N 1 0 271.389 2.485 10 0 CEAERO Cc1cc(N)cc(S(=O)(=O)Nc2cc[nH+]c(C)c2)c1 ZINC000092348778 180367528 /nfs/dbraw/zinc/36/75/28/180367528.db2.gz ZMDZFOSATHQKQL-UHFFFAOYSA-N 1 0 277.349 2.081 10 0 CEAERO CCNc1cccc(CN2CC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000092370610 180369734 /nfs/dbraw/zinc/36/97/34/180369734.db2.gz VQPWIZUQHLMMCY-OAHLLOKOSA-N 1 0 274.412 2.184 10 0 CEAERO CCNc1cccc(C[N@@H+]2CCCSCC2)n1 ZINC000092369970 180370026 /nfs/dbraw/zinc/37/00/26/180370026.db2.gz CCRSXNFAPMDWFF-UHFFFAOYSA-N 1 0 251.399 2.452 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C[C@H](O)c1ccccc1F ZINC000106379277 186111453 /nfs/dbraw/zinc/11/14/53/186111453.db2.gz NYWHODGVKFPXJM-CJNGLKHVSA-N 1 0 280.387 2.275 10 0 CEAERO C[C@@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000106424467 186117070 /nfs/dbraw/zinc/11/70/70/186117070.db2.gz DKUQHOMCEXNWNM-GDBMZVCRSA-N 1 0 274.408 2.418 10 0 CEAERO CCC[NH2+][C@@H]1c2cc(OC)ccc2CC[C@@H]1S(C)(=O)=O ZINC000092388538 180374447 /nfs/dbraw/zinc/37/44/47/180374447.db2.gz DLKWWYDANKIQAM-LSDHHAIUSA-N 1 0 297.420 2.095 10 0 CEAERO CC[N@H+](CCOC)[C@H]1CCc2ccc(OC)cc2[C@@H]1O ZINC000092387864 180374896 /nfs/dbraw/zinc/37/48/96/180374896.db2.gz RLKXSAKAUYWCAD-HOTGVXAUSA-N 1 0 279.380 2.012 10 0 CEAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@H](Sc1nnc(C)o1)CC2 ZINC000092389895 180375637 /nfs/dbraw/zinc/37/56/37/180375637.db2.gz DLOJJQKHVBPIFI-CHWSQXEVSA-N 1 0 291.376 2.494 10 0 CEAERO COc1ccc([C@H]2C[NH2+][C@H](C(C)C)CO2)cc1OC ZINC000092403138 180378416 /nfs/dbraw/zinc/37/84/16/180378416.db2.gz QOQVJEFJJQYRLL-SWLSCSKDSA-N 1 0 265.353 2.389 10 0 CEAERO CN(Cc1cc(Cl)ccn1)[C@@H]1CCC[N@H+](C)C1 ZINC000092416615 180380688 /nfs/dbraw/zinc/38/06/88/180380688.db2.gz BBRHATQCZAUFHE-CYBMUJFWSA-N 1 0 253.777 2.261 10 0 CEAERO CCNc1cc[nH+]c(CN2CCCSCC2)c1 ZINC000092418897 180382069 /nfs/dbraw/zinc/38/20/69/180382069.db2.gz MPGFCUMDYKMCFK-UHFFFAOYSA-N 1 0 251.399 2.452 10 0 CEAERO CCCNc1cc[nH+]c(CN2C(=O)[C@@H]3[C@H](C2=O)C3(C)C)c1 ZINC000092419914 180382780 /nfs/dbraw/zinc/38/27/80/180382780.db2.gz HLTLZHKBTZCGMB-BETUJISGSA-N 1 0 287.363 2.045 10 0 CEAERO NNc1ccnc(C[N@@H+]2CCCc3ccccc3C2)c1 ZINC000092425213 180383695 /nfs/dbraw/zinc/38/36/95/180383695.db2.gz INCABTKVGQZIKI-UHFFFAOYSA-N 1 0 268.364 2.316 10 0 CEAERO COc1ccc(C[NH3+])cc1OCc1cccc(C)n1 ZINC000092427229 180383827 /nfs/dbraw/zinc/38/38/27/180383827.db2.gz OVFKOWMKAWPXSY-UHFFFAOYSA-N 1 0 258.321 2.436 10 0 CEAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@@H](n1ccc(C)n1)CC2 ZINC000092386199 180373663 /nfs/dbraw/zinc/37/36/63/180373663.db2.gz TZPLNODCHMZFLF-LSDHHAIUSA-N 1 0 257.337 2.387 10 0 CEAERO C[NH2+]CCC(=O)Nc1cc(C(C)C)ccc1OC ZINC000107294633 186168691 /nfs/dbraw/zinc/16/86/91/186168691.db2.gz FHWRHGUUNDQLGD-UHFFFAOYSA-N 1 0 250.342 2.367 10 0 CEAERO Cc1cccc(CN2CCC[C@H](C[NH2+]C3CC3)C2)n1 ZINC000092430068 180384540 /nfs/dbraw/zinc/38/45/40/180384540.db2.gz PTEMZTLFYZGKFS-CQSZACIVSA-N 1 0 259.397 2.354 10 0 CEAERO CSc1ccsc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000107246908 186164419 /nfs/dbraw/zinc/16/44/19/186164419.db2.gz BVQWYYLOZNCYNB-SECBINFHSA-N 1 0 270.423 2.246 10 0 CEAERO OCc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2CO)cc1 ZINC000107800168 186191840 /nfs/dbraw/zinc/19/18/40/186191840.db2.gz QQCGORPROLCJSX-CVEARBPZSA-N 1 0 263.381 2.067 10 0 CEAERO CC(C)c1ccc([C@H](O)C[NH2+]C[C@@H](C)CO)cc1 ZINC000109122481 186244626 /nfs/dbraw/zinc/24/46/26/186244626.db2.gz NIPKPLOBFJJJHW-IUODEOHRSA-N 1 0 251.370 2.061 10 0 CEAERO CNC(=O)c1ccc(C[NH+]2CCC(c3cc[nH]n3)CC2)cc1 ZINC000109004670 186239398 /nfs/dbraw/zinc/23/93/98/186239398.db2.gz MMUVFGKAUCQAGX-UHFFFAOYSA-N 1 0 298.390 2.149 10 0 CEAERO C[NH2+][C@H]1CCCC[C@@H]1c1nc(-c2ccccn2)no1 ZINC000109497397 186256289 /nfs/dbraw/zinc/25/62/89/186256289.db2.gz RVFWSSSNWCQOCM-QWRGUYRKSA-N 1 0 258.325 2.377 10 0 CEAERO CC[NH2+][C@H](Cc1nc(-c2ccccn2)no1)C(C)C ZINC000109497386 186256495 /nfs/dbraw/zinc/25/64/95/186256495.db2.gz SBNSKNJBAVSXDP-GFCCVEGCSA-N 1 0 260.341 2.308 10 0 CEAERO C[NH2+][C@H](C)[C@@H](c1nc(C[C@@H]2CCCO2)no1)C(C)C ZINC000109495927 186256798 /nfs/dbraw/zinc/25/67/98/186256798.db2.gz VFQRICSIYRMKNN-MDZLAQPJSA-N 1 0 267.373 2.139 10 0 CEAERO C[NH2+][C@H](Cc1nc(-c2cccc(F)c2)no1)C1CC1 ZINC000109504531 186257578 /nfs/dbraw/zinc/25/75/78/186257578.db2.gz DUDUVSUHODIHRW-GFCCVEGCSA-N 1 0 261.300 2.416 10 0 CEAERO CCC[NH2+][C@H](C)[C@@H](C)c1nc(-c2cnccn2)no1 ZINC000109507263 186258010 /nfs/dbraw/zinc/25/80/10/186258010.db2.gz FZRVUYCZLVNMEG-NXEZZACHSA-N 1 0 261.329 2.018 10 0 CEAERO CC[NH2+][C@@H]1CCC[C@@H]1c1nc(Cc2cccnc2)no1 ZINC000109510643 186258173 /nfs/dbraw/zinc/25/81/73/186258173.db2.gz JCCWGWHMIYAUSV-QWHCGFSZSA-N 1 0 272.352 2.301 10 0 CEAERO CC[NH2+][C@@H]1CCCC[C@H]1c1nc(-c2cnccn2)no1 ZINC000109507192 186258560 /nfs/dbraw/zinc/25/85/60/186258560.db2.gz RLRILKIIJCCQJP-GHMZBOCLSA-N 1 0 273.340 2.162 10 0 CEAERO CCCOCc1noc(C[C@@H]([NH2+]C)C(C)(C)C)n1 ZINC000109519747 186259053 /nfs/dbraw/zinc/25/90/53/186259053.db2.gz WJWXNDYKUYRANV-SNVBAGLBSA-N 1 0 255.362 2.173 10 0 CEAERO COc1ccc(Cc2noc([C@H]3CCC[C@H]3[NH3+])n2)cc1 ZINC000109520727 186259166 /nfs/dbraw/zinc/25/91/66/186259166.db2.gz LTYRZJRJRBRXAP-QWHCGFSZSA-N 1 0 273.336 2.264 10 0 CEAERO O=C(C[NH2+][C@@H]1CCCOC1)Nc1ccccc1Cl ZINC000109546793 186262362 /nfs/dbraw/zinc/26/23/62/186262362.db2.gz JDMRBUHOAFFZDB-SNVBAGLBSA-N 1 0 268.744 2.047 10 0 CEAERO CCC[NH2+][C@@H]1C(=O)Nc2cc(-n3ccc(C)n3)ccc21 ZINC000109573203 186263993 /nfs/dbraw/zinc/26/39/93/186263993.db2.gz LKASTGHELVXHNK-AWEZNQCLSA-N 1 0 270.336 2.174 10 0 CEAERO CC[NH2+][C@H]1CCOC[C@H]1N(CCC(C)C)C1CC1 ZINC000109623880 186268273 /nfs/dbraw/zinc/26/82/73/186268273.db2.gz SFCBWSFGRSGXNE-LSDHHAIUSA-N 1 0 254.418 2.264 10 0 CEAERO CCc1cccc2c(CC(=O)N3CC[C@H]([NH+](C)C)C3)c[nH]c21 ZINC000109272346 186247510 /nfs/dbraw/zinc/24/75/10/186247510.db2.gz HKMXIEKDXQMNLJ-HNNXBMFYSA-N 1 0 299.418 2.435 10 0 CEAERO CCC[C@@H](c1noc(-c2ccccc2)n1)N1CC[NH2+]CC1 ZINC000109475021 186254656 /nfs/dbraw/zinc/25/46/56/186254656.db2.gz ZIFQKDCREXTKPS-AWEZNQCLSA-N 1 0 286.379 2.483 10 0 CEAERO CC[C@H](c1noc(C(C)(C)CC)n1)N1CC[NH2+]CC1 ZINC000109474398 186254782 /nfs/dbraw/zinc/25/47/82/186254782.db2.gz RUGJKAAVGUMRDG-LLVKDONJSA-N 1 0 266.389 2.114 10 0 CEAERO CN[C@@](C)(CC[N@H+](CCC(C)C)C1CC1)C(=O)OC ZINC000109956588 186281249 /nfs/dbraw/zinc/28/12/49/186281249.db2.gz OAVPIOHMQUVYCG-HNNXBMFYSA-N 1 0 270.417 2.038 10 0 CEAERO CCN[C@H](C[N@H+](CCC(C)C)C1CC1)C(=O)OCC ZINC000109999538 186281988 /nfs/dbraw/zinc/28/19/88/186281988.db2.gz UDGQCJLNHHACBD-CQSZACIVSA-N 1 0 270.417 2.038 10 0 CEAERO CC(C)CC[N@H+](CCCC[C@](C)([NH3+])C(=O)[O-])C1CC1 ZINC000109999422 186282033 /nfs/dbraw/zinc/28/20/33/186282033.db2.gz OYMPQVUQACYODM-HNNXBMFYSA-N 1 0 270.417 2.469 10 0 CEAERO CC[NH+](CC)[C@@H]1CCN(Cc2ccc(N)c(C)c2)C1 ZINC000110370660 186294182 /nfs/dbraw/zinc/29/41/82/186294182.db2.gz RICYAVITLVASMY-OAHLLOKOSA-N 1 0 261.413 2.493 10 0 CEAERO CC[C@H](C(N)=S)[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC000110460818 186296963 /nfs/dbraw/zinc/29/69/63/186296963.db2.gz KHYNYMJTWOKBNA-CQSZACIVSA-N 1 0 295.427 2.008 10 0 CEAERO Cc1cccc(-c2noc([C@H]3CCCC[C@H]3[NH3+])n2)n1 ZINC000110476073 186298203 /nfs/dbraw/zinc/29/82/03/186298203.db2.gz RZJLZDUROKGGTC-WDEREUQCSA-N 1 0 258.325 2.425 10 0 CEAERO CC[C@@H]([NH2+]C)[C@@H](C)c1nc(Cc2ccncc2)no1 ZINC000110470183 186298343 /nfs/dbraw/zinc/29/83/43/186298343.db2.gz FKEGLEBFONHYKA-ZYHUDNBSSA-N 1 0 260.341 2.157 10 0 CEAERO CCc1nc(-c2ccc(OC)c(O)c2)[nH+]c(NN)c1C ZINC000110477676 186299578 /nfs/dbraw/zinc/29/95/78/186299578.db2.gz FYXYUADFEACCSE-UHFFFAOYSA-N 1 0 274.324 2.014 10 0 CEAERO CC[C@H]([NH3+])[C@H](O[C@@H]1CCOC1)c1ccccc1OC ZINC000110525729 186300581 /nfs/dbraw/zinc/30/05/81/186300581.db2.gz NVBRKAQTKUFLGT-OSAQELSMSA-N 1 0 265.353 2.279 10 0 CEAERO CC[NH2+][C@@H](CO[C@H]1CCOC1)c1cc(C)ccc1OC ZINC000110526465 186301119 /nfs/dbraw/zinc/30/11/19/186301119.db2.gz ZVTLXRXPASHWQB-ZFWWWQNUSA-N 1 0 279.380 2.460 10 0 CEAERO Fc1cccc([C@H](C[NH2+]C2CC2)O[C@@H]2CCOC2)c1 ZINC000110529528 186301801 /nfs/dbraw/zinc/30/18/01/186301801.db2.gz JVXLTZIIONHZQC-CABCVRRESA-N 1 0 265.328 2.424 10 0 CEAERO CCC[NH2+]Cc1nc(C(C)C)ncc1O[C@@H]1CCOC1 ZINC000110532557 186302083 /nfs/dbraw/zinc/30/20/83/186302083.db2.gz ZAQNPPISASVXBX-GFCCVEGCSA-N 1 0 279.384 2.267 10 0 CEAERO C[C@H]1CCCC[C@@H]1NC(=O)Cc1ccc(C[NH3+])cc1 ZINC000110611694 186305589 /nfs/dbraw/zinc/30/55/89/186305589.db2.gz DBFGMSHOPMOBLF-WFASDCNBSA-N 1 0 260.381 2.383 10 0 CEAERO [NH3+]Cc1ccc(CC(=O)Nc2cccc(F)c2)cc1 ZINC000110611673 186305764 /nfs/dbraw/zinc/30/57/64/186305764.db2.gz HNNJZYGHVGTMGY-UHFFFAOYSA-N 1 0 258.296 2.466 10 0 CEAERO CC[NH+](CC)[C@H]1CCN(c2cc(OC)c(F)cc2N)C1 ZINC000110628013 186306354 /nfs/dbraw/zinc/30/63/54/186306354.db2.gz YIRBXHCIFWNSAX-NSHDSACASA-N 1 0 281.375 2.337 10 0 CEAERO C[N@@H+]1CC[C@H](CNc2cc(OC(F)F)c(F)cc2N)C1 ZINC000110638204 186307391 /nfs/dbraw/zinc/30/73/91/186307391.db2.gz HRPXUFPTRFFWKC-MRVPVSSYSA-N 1 0 289.301 2.373 10 0 CEAERO CCOc1cc(N[C@@H]2CCC[N@H+](C)C2)c(N)cc1F ZINC000110633310 186307444 /nfs/dbraw/zinc/30/74/44/186307444.db2.gz TZQVSSJSNLBXCV-SNVBAGLBSA-N 1 0 267.348 2.313 10 0 CEAERO CCN[C@@H](CC[N@H+](C)CC1CCCC1)C(=O)OCC ZINC000110841146 186328029 /nfs/dbraw/zinc/32/80/29/186328029.db2.gz LIXGUHZURRFBEP-AWEZNQCLSA-N 1 0 270.417 2.040 10 0 CEAERO CCOC(=O)[C@@](C)(C[N@H+](C)CC1CCCC1)NC(C)C ZINC000110841279 186328231 /nfs/dbraw/zinc/32/82/31/186328231.db2.gz VVDDDRJATABQHR-MRXNPFEDSA-N 1 0 284.444 2.428 10 0 CEAERO CN(CC1CCCC1)c1nc2ccccn2c1C[NH3+] ZINC000110839065 186328347 /nfs/dbraw/zinc/32/83/47/186328347.db2.gz VHNQUIMYWWFTON-UHFFFAOYSA-N 1 0 258.369 2.419 10 0 CEAERO COC(=O)[C@@](C)(C[N@H+](C)CC1CCCC1)NC(C)C ZINC000110841061 186328429 /nfs/dbraw/zinc/32/84/29/186328429.db2.gz YZVUDXKOKVZTRZ-OAHLLOKOSA-N 1 0 270.417 2.038 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1cnccn1)c1ccccn1 ZINC000110913087 186332933 /nfs/dbraw/zinc/33/29/33/186332933.db2.gz LKGZQCMMLRFRRP-ZWNOBZJWSA-N 1 0 260.366 2.442 10 0 CEAERO CN(c1ncccc1C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000110933091 186333106 /nfs/dbraw/zinc/33/31/06/186333106.db2.gz YNBISTFNEDVZAG-SECBINFHSA-N 1 0 259.275 2.289 10 0 CEAERO CC(C)N(C(=O)CN(C)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000110931505 186333348 /nfs/dbraw/zinc/33/33/48/186333348.db2.gz CJYYKLAKKBKUPG-MRXNPFEDSA-N 1 0 289.423 2.112 10 0 CEAERO CN(Cc1ccc(OC(F)F)cc1)[C@H]1CCC[NH2+]C1 ZINC000110926047 186333469 /nfs/dbraw/zinc/33/34/69/186333469.db2.gz CLBVVNDIENEFDB-LBPRGKRZSA-N 1 0 270.323 2.472 10 0 CEAERO CN(C(=O)Cc1ccccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000110927459 186333482 /nfs/dbraw/zinc/33/34/82/186333482.db2.gz GTEHEIAVPDZUDS-GFCCVEGCSA-N 1 0 266.772 2.093 10 0 CEAERO Cc1sc2ncnc(N(C)[C@H]3CCC[NH2+]C3)c2c1C ZINC000110932263 186333522 /nfs/dbraw/zinc/33/35/22/186333522.db2.gz MHLMDOQHONZPPJ-NSHDSACASA-N 1 0 276.409 2.496 10 0 CEAERO CO[C@H]1CCC[C@@H]1[NH2+]Cc1[nH]nnc1-c1ccccc1 ZINC000110925353 186333532 /nfs/dbraw/zinc/33/35/32/186333532.db2.gz IVEZRZGZHCORFQ-JSGCOSHPSA-N 1 0 272.352 2.129 10 0 CEAERO CN(CC(=O)N(C1=CCCCC1)C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000110928727 186333788 /nfs/dbraw/zinc/33/37/88/186333788.db2.gz VRWQEFAZWPOLMS-MRXNPFEDSA-N 1 0 291.439 2.119 10 0 CEAERO CN(CCCOc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC000110931376 186333825 /nfs/dbraw/zinc/33/38/25/186333825.db2.gz JDWBLPGXLBOLGB-AWEZNQCLSA-N 1 0 266.360 2.278 10 0 CEAERO CCCS(=O)(=O)c1ccccc1N(C)[C@H]1CCC[NH2+]C1 ZINC000110933135 186333833 /nfs/dbraw/zinc/33/38/33/186333833.db2.gz INOPHBDLPKDNPU-ZDUSSCGKSA-N 1 0 296.436 2.059 10 0 CEAERO CCN(Cc1ccc(OC)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000110942707 186334518 /nfs/dbraw/zinc/33/45/18/186334518.db2.gz MJKLKJINGNVEMR-ZDUSSCGKSA-N 1 0 266.360 2.408 10 0 CEAERO CCN(C(=O)COc1ccc(Cl)cc1)[C@H]1CCC[NH2+]C1 ZINC000110939320 186334913 /nfs/dbraw/zinc/33/49/13/186334913.db2.gz AAYZNCKGQCWXMR-ZDUSSCGKSA-N 1 0 296.798 2.319 10 0 CEAERO CCCN(Cc1nnsc1Cl)[C@H]1CCC[NH2+]C1 ZINC000110946642 186335629 /nfs/dbraw/zinc/33/56/29/186335629.db2.gz VHIQZXFCFJLMDL-VIFPVBQESA-N 1 0 274.821 2.156 10 0 CEAERO CCOC(=O)[C@@H](C)Oc1cc(C)ccc1[C@H](C)[NH3+] ZINC000110958085 186336550 /nfs/dbraw/zinc/33/65/50/186336550.db2.gz FCXHLODVHMSHTE-WDEREUQCSA-N 1 0 251.326 2.345 10 0 CEAERO COCC[NH2+]C[C@H](C)Oc1ccccc1SC ZINC000110985894 186338601 /nfs/dbraw/zinc/33/86/01/186338601.db2.gz OILASSRGQWPUHD-NSHDSACASA-N 1 0 255.383 2.412 10 0 CEAERO CC[C@@H]1CN(CCNc2ccccc2F)CC[N@@H+]1C ZINC000110757238 186320372 /nfs/dbraw/zinc/32/03/72/186320372.db2.gz SDJAXTTVYFQWRC-CYBMUJFWSA-N 1 0 265.376 2.264 10 0 CEAERO CCCN(CC[NH2+]C)c1ncnc2sc(C)cc21 ZINC000110779937 186324299 /nfs/dbraw/zinc/32/42/99/186324299.db2.gz DGQNSQYELQFPMS-UHFFFAOYSA-N 1 0 264.398 2.436 10 0 CEAERO CCOc1cc(N2CC[C@H]([NH+]3CCCC3)C2)ccc1N ZINC000111056214 186349049 /nfs/dbraw/zinc/34/90/49/186349049.db2.gz CJDHXLVMJSUOJF-AWEZNQCLSA-N 1 0 275.396 2.342 10 0 CEAERO O=C1CC[C@H]([NH2+]C2CC(c3ccc(Cl)cc3)C2)CN1 ZINC000111017938 186344465 /nfs/dbraw/zinc/34/44/65/186344465.db2.gz ZRJUNWCWWVPUDC-QRMWWUJWSA-N 1 0 278.783 2.454 10 0 CEAERO O=C1CC[C@H]([NH2+][C@@H]2CCSc3c(F)cccc32)CN1 ZINC000111018070 186344591 /nfs/dbraw/zinc/34/45/91/186344591.db2.gz UPJFBHJUABMAQM-JOYOIKCWSA-N 1 0 280.368 2.231 10 0 CEAERO CCC(CC)N(CCO)c1ccc(F)cc1C(N)=[NH2+] ZINC000111034295 186346502 /nfs/dbraw/zinc/34/65/02/186346502.db2.gz PUIXVEWQLISXFN-UHFFFAOYSA-N 1 0 267.348 2.097 10 0 CEAERO [NH3+]C[C@@H](c1cccc(F)c1F)N1CCSCC1 ZINC000111039127 186346579 /nfs/dbraw/zinc/34/65/79/186346579.db2.gz QTVXRTRPTAJCSP-NSHDSACASA-N 1 0 258.337 2.013 10 0 CEAERO CC[C@H]1CO[C@@H](C)CN1[C@@H](C[NH3+])c1cccc(F)c1F ZINC000111039493 186346591 /nfs/dbraw/zinc/34/65/91/186346591.db2.gz NJMXZAWRKYWPBK-MJVIPROJSA-N 1 0 284.350 2.464 10 0 CEAERO CC(C)CC[C@](C)(CN)[N@H+](C)CC1CCOCC1 ZINC000111159536 186361951 /nfs/dbraw/zinc/36/19/51/186361951.db2.gz GSZIBRXUOKTHMW-OAHLLOKOSA-N 1 0 256.434 2.498 10 0 CEAERO Cc1ccc([C@H]([C@H](C)[NH3+])N(C)CC2CCOCC2)o1 ZINC000111156278 186362075 /nfs/dbraw/zinc/36/20/75/186362075.db2.gz WQLOOBSXFJJUJP-WFASDCNBSA-N 1 0 266.385 2.335 10 0 CEAERO CC1CCC(CN)([N@H+](C)C[C@@H]2CCCOC2)CC1 ZINC000111158772 186362395 /nfs/dbraw/zinc/36/23/95/186362395.db2.gz KSSLHBUABFGEMZ-SLTAFYQDSA-N 1 0 254.418 2.252 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1cccnc1)N(C)CC1CCOCC1 ZINC000111155734 186362679 /nfs/dbraw/zinc/36/26/79/186362679.db2.gz XAWOAFSTUMTNPT-HOTGVXAUSA-N 1 0 277.412 2.218 10 0 CEAERO O=C(C[NH2+]C1CCCC1)NC[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000111086901 186351849 /nfs/dbraw/zinc/35/18/49/186351849.db2.gz WXNKCYFOGRUFMQ-XQQFMLRXSA-N 1 0 250.386 2.071 10 0 CEAERO C[NH2+][C@H]1c2ccccc2C[C@@H]1N(C)CC1CCOCC1 ZINC000111162118 186363343 /nfs/dbraw/zinc/36/33/43/186363343.db2.gz SLSZWFJUMPXYEI-IRXDYDNUSA-N 1 0 274.408 2.230 10 0 CEAERO CCCOCCO[C@@H](C[NH2+]C)c1ccc(OC)cc1 ZINC000111107349 186352625 /nfs/dbraw/zinc/35/26/25/186352625.db2.gz ZWJRQRPHWIBVCW-HNNXBMFYSA-N 1 0 267.369 2.399 10 0 CEAERO CCOCCN(CC)[C@@H](C[NH3+])c1ccc(C)s1 ZINC000111116622 186353776 /nfs/dbraw/zinc/35/37/76/186353776.db2.gz UFGCADMISKRJKR-LBPRGKRZSA-N 1 0 256.415 2.415 10 0 CEAERO CCOCCN(CC)C[C@@H]([NH2+]C)c1ccc(OC)cc1 ZINC000111118450 186354276 /nfs/dbraw/zinc/35/42/76/186354276.db2.gz IMAWYBQOSHXWHG-MRXNPFEDSA-N 1 0 280.412 2.314 10 0 CEAERO CCOCCN(CC)C[C@@H]([NH3+])c1ccc(OCC)cc1 ZINC000111118081 186354404 /nfs/dbraw/zinc/35/44/04/186354404.db2.gz AQTUJDBNXBGYFE-MRXNPFEDSA-N 1 0 280.412 2.444 10 0 CEAERO CCOCC[N@H+](CC)[C@H]1CCc2cc(OC)ccc2[C@@H]1N ZINC000111118584 186355453 /nfs/dbraw/zinc/35/54/53/186355453.db2.gz IPBOWTHKZPWZNK-IRXDYDNUSA-N 1 0 292.423 2.368 10 0 CEAERO CCOCCN(CC)C(=O)[C@@H]1CCC[C@@H](CC[NH3+])C1 ZINC000111127172 186356820 /nfs/dbraw/zinc/35/68/20/186356820.db2.gz SGVUXZOQAYTYLU-UONOGXRCSA-N 1 0 270.417 2.027 10 0 CEAERO CN(CCC[NH+](C)C)C[C@H](O)c1cc2ccccc2o1 ZINC000111143643 186358601 /nfs/dbraw/zinc/35/86/01/186358601.db2.gz XRRHFHMUDWHSHF-AWEZNQCLSA-N 1 0 276.380 2.350 10 0 CEAERO Cc1ccc([C@@H](O)[C@H](C)N(C)CCC[NH+](C)C)cc1 ZINC000111143924 186358767 /nfs/dbraw/zinc/35/87/67/186358767.db2.gz ZULADHGJVIQDLU-HOCLYGCPSA-N 1 0 264.413 2.300 10 0 CEAERO CCC[C@H]1CCC(=O)[C@@H](C[N@H+](C)CCN(C)C)C1 ZINC000111146388 186358956 /nfs/dbraw/zinc/35/89/56/186358956.db2.gz SSXNXIUQULEBSG-UONOGXRCSA-N 1 0 254.418 2.265 10 0 CEAERO COc1ccc([C@H](O)[C@H](C)N(C)CCC[NH+](C)C)cc1 ZINC000111143733 186359070 /nfs/dbraw/zinc/35/90/70/186359070.db2.gz QBRRSUIENLADNQ-XJKSGUPXSA-N 1 0 280.412 2.001 10 0 CEAERO CN(C)CC[N@H+](C)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1O ZINC000111142794 186359174 /nfs/dbraw/zinc/35/91/74/186359174.db2.gz VLLWSWWYHQVHOJ-MCIONIFRSA-N 1 0 256.434 2.056 10 0 CEAERO CCCNc1ccc(CN(C)CCC[NH+](C)C)cn1 ZINC000111146284 186359192 /nfs/dbraw/zinc/35/91/92/186359192.db2.gz NVCMRZISSJEKAT-UHFFFAOYSA-N 1 0 264.417 2.287 10 0 CEAERO CN(CC[NH+](C)C)c1nc2c(s1)C(=O)CC(C)(C)C2 ZINC000111151216 186359867 /nfs/dbraw/zinc/35/98/67/186359867.db2.gz QEUYPKQGQQVOPI-UHFFFAOYSA-N 1 0 281.425 2.296 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1ccco1)N(C)C[C@@H]1CCCOC1 ZINC000111154937 186360185 /nfs/dbraw/zinc/36/01/85/186360185.db2.gz MKILUPZQWPGNAL-OBJOEFQTSA-N 1 0 252.358 2.026 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](N(C)C[C@@H]1CCCOC1)C(F)(F)F ZINC000111154870 186360334 /nfs/dbraw/zinc/36/03/34/186360334.db2.gz AOJAEEKTZNIOPO-HBNTYKKESA-N 1 0 268.323 2.013 10 0 CEAERO C[C@@H]1CCC(=O)[C@@H](C[N@H+](C)CC2CCOCC2)C1 ZINC000111171286 186364827 /nfs/dbraw/zinc/36/48/27/186364827.db2.gz UCJOPVKJOUCPAQ-TZMCWYRMSA-N 1 0 253.386 2.350 10 0 CEAERO CCC[C@@]1(C(=O)N(C)C[C@@H]2CCCOC2)CCC[NH2+]C1 ZINC000111173138 186365551 /nfs/dbraw/zinc/36/55/51/186365551.db2.gz YAXRJYCIVOSEJP-GOEBONIOSA-N 1 0 282.428 2.041 10 0 CEAERO C[N@H+](CC1CCOCC1)C[C@H]1Cc2ccccc2CN1 ZINC000111179299 186366866 /nfs/dbraw/zinc/36/68/66/186366866.db2.gz UBNSFABJRXOOOF-QGZVFWFLSA-N 1 0 274.408 2.059 10 0 CEAERO C[C@@H]([NH2+]CCSc1nnc(N(C)C)s1)C1CC1 ZINC000111317245 186395789 /nfs/dbraw/zinc/39/57/89/186395789.db2.gz JVSRVCXJFNEQHG-MRVPVSSYSA-N 1 0 272.443 2.084 10 0 CEAERO CC(C)[NH2+]C[C@]1(CN(C)Cc2cscn2)CCCOC1 ZINC000111326277 186398056 /nfs/dbraw/zinc/39/80/56/186398056.db2.gz VQPJBZQOIPHOEF-HNNXBMFYSA-N 1 0 297.468 2.370 10 0 CEAERO CN(Cc1cscn1)C[C@@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111326266 186398460 /nfs/dbraw/zinc/39/84/60/186398460.db2.gz TZEVTUUNMZJKBH-HNNXBMFYSA-N 1 0 295.452 2.124 10 0 CEAERO C[NH2+]C[C@]1(CN(C)c2cccc(C)c2)CCCOC1 ZINC000111326928 186398896 /nfs/dbraw/zinc/39/88/96/186398896.db2.gz JOGLEQXFPNHZBR-INIZCTEOSA-N 1 0 262.397 2.447 10 0 CEAERO CCC1(C)CC[NH+](C[C@]2(CO)CCCOC2)CC1 ZINC000111331699 186399436 /nfs/dbraw/zinc/39/94/36/186399436.db2.gz PHZSTJMLJIXNLP-HNNXBMFYSA-N 1 0 255.402 2.288 10 0 CEAERO c1ncn([C@@H]2CCC[N@@H+](Cc3ccc4c(c3)CCO4)C2)n1 ZINC000111229507 186371426 /nfs/dbraw/zinc/37/14/26/186371426.db2.gz HEMRRVRMIDYWDP-OAHLLOKOSA-N 1 0 284.363 2.050 10 0 CEAERO CCCOCc1noc([C@H](CC)[C@H](C)[NH2+]CC)n1 ZINC000111234919 186372855 /nfs/dbraw/zinc/37/28/55/186372855.db2.gz HSULCUCQWWHHID-WDEREUQCSA-N 1 0 255.362 2.488 10 0 CEAERO O=C(Nc1c(F)cccc1F)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111243456 186375232 /nfs/dbraw/zinc/37/52/32/186375232.db2.gz NBNVMMDIOJZKSP-NSHDSACASA-N 1 0 294.223 2.445 10 0 CEAERO Cc1nn(C)c(Sc2ncnc3ccccc32)c1C[NH3+] ZINC000111351618 186404427 /nfs/dbraw/zinc/40/44/27/186404427.db2.gz IPZFFBKMPNTTNH-UHFFFAOYSA-N 1 0 285.376 2.282 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc2c1CCCC2 ZINC000111262951 186380883 /nfs/dbraw/zinc/38/08/83/186380883.db2.gz VGDRVEOSPXPWNR-FZMZJTMJSA-N 1 0 258.365 2.359 10 0 CEAERO CC(C)[C@@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1C)c1ccccc1 ZINC000111265234 186381919 /nfs/dbraw/zinc/38/19/19/186381919.db2.gz LASLDEFKCIDWHA-AEGPPILISA-N 1 0 260.381 2.355 10 0 CEAERO CCc1ccc([C@@H](C)NC(=O)[C@@H]2C[NH2+]C[C@@H]2C)cc1 ZINC000111265154 186382172 /nfs/dbraw/zinc/38/21/72/186382172.db2.gz YKTZAEMEMQDABZ-YWPYICTPSA-N 1 0 260.381 2.282 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000111268092 186382641 /nfs/dbraw/zinc/38/26/41/186382641.db2.gz XIVBDZLPOADISU-DAXOMENPSA-N 1 0 272.392 2.378 10 0 CEAERO CCC[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1C)c1ccccc1 ZINC000111266140 186383002 /nfs/dbraw/zinc/38/30/02/186383002.db2.gz SJZUTYWUFDRAPO-QEJZJMRPSA-N 1 0 260.381 2.500 10 0 CEAERO COc1ccc(CN(C(=O)[C@H]2C[NH2+]C[C@H]2C)C2CC2)cc1 ZINC000111268248 186383078 /nfs/dbraw/zinc/38/30/78/186383078.db2.gz RRCQWGPXSGLNHR-WBMJQRKESA-N 1 0 288.391 2.042 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)N1CCC(c2ccccc2)CC1 ZINC000111268517 186383653 /nfs/dbraw/zinc/38/36/53/186383653.db2.gz BOOBVEPYQRJKSV-XJKSGUPXSA-N 1 0 272.392 2.248 10 0 CEAERO CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000111269283 186383726 /nfs/dbraw/zinc/38/37/26/186383726.db2.gz SIWRBUZKJJUTEQ-CMPLNLGQSA-N 1 0 282.334 2.169 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000111268703 186384044 /nfs/dbraw/zinc/38/40/44/186384044.db2.gz VCUIXMIAEYGIIF-ABAIWWIYSA-N 1 0 276.355 2.172 10 0 CEAERO Cc1ccc(CN(C(=O)[C@@H]2C[NH2+]C[C@@H]2C)C(C)C)o1 ZINC000111269311 186384259 /nfs/dbraw/zinc/38/42/59/186384259.db2.gz OUTYQVYEKZDAQD-SMDDNHRTSA-N 1 0 264.369 2.181 10 0 CEAERO CCCC1CCC(NC(=O)[C@H]2C[NH2+]C[C@H]2C)CC1 ZINC000111271887 186386016 /nfs/dbraw/zinc/38/60/16/186386016.db2.gz CSUDMSFISRAUJX-RYSNWHEDSA-N 1 0 252.402 2.317 10 0 CEAERO Cc1cc([C@H](C)NC(=O)c2ccc(C[NH3+])cn2)c(C)o1 ZINC000111282132 186388066 /nfs/dbraw/zinc/38/80/66/186388066.db2.gz AUVGEVWUGILKAH-JTQLQIEISA-N 1 0 273.336 2.241 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2[nH]ccc2c1 ZINC000111288989 186390741 /nfs/dbraw/zinc/39/07/41/186390741.db2.gz VJSJQJITYLMHHK-AGUYFDCRSA-N 1 0 269.348 2.262 10 0 CEAERO CCCc1c(Cl)ncnc1N[C@H]1CC[N@H+](C)C1 ZINC000111297331 186391950 /nfs/dbraw/zinc/39/19/50/186391950.db2.gz YGUVCYDFPHBOGQ-VIFPVBQESA-N 1 0 254.765 2.199 10 0 CEAERO CCCc1c(Cl)ncnc1NCCC[NH+](C)C ZINC000111295927 186392357 /nfs/dbraw/zinc/39/23/57/186392357.db2.gz WYNRGJKKYOOLPY-UHFFFAOYSA-N 1 0 256.781 2.446 10 0 CEAERO CN(CC[C@H]1CCCC[NH2+]1)C(=O)c1ccc2c(c1)COC2 ZINC000111305560 186393988 /nfs/dbraw/zinc/39/39/88/186393988.db2.gz NRFPSFPXTUIYAS-MRXNPFEDSA-N 1 0 288.391 2.321 10 0 CEAERO Cc1nn(C)c(N(C)Cc2ccccc2F)c1CC[NH3+] ZINC000111485096 186422600 /nfs/dbraw/zinc/42/26/00/186422600.db2.gz OVLLGPHHOSPJBQ-UHFFFAOYSA-N 1 0 276.359 2.005 10 0 CEAERO C[C@@H]([NH3+])Cc1cc(F)ccc1N1CCCO[C@@H](C)C1 ZINC000111500470 186424477 /nfs/dbraw/zinc/42/44/77/186424477.db2.gz DFUWQFBKZNZXSD-NEPJUHHUSA-N 1 0 266.360 2.331 10 0 CEAERO Cc1nn(C)c(Oc2ccc(C)nc2)c1C[C@@H](C)[NH3+] ZINC000111523203 186426389 /nfs/dbraw/zinc/42/63/89/186426389.db2.gz SBHQZEFHLLBLAP-SECBINFHSA-N 1 0 260.341 2.114 10 0 CEAERO CC(C)C[NH2+]Cc1ccccc1Sc1nnnn1C ZINC000111555177 186427788 /nfs/dbraw/zinc/42/77/88/186427788.db2.gz OZIDLWFFPDZKFW-UHFFFAOYSA-N 1 0 277.397 2.107 10 0 CEAERO COCC[NH2+]Cc1ccccc1Sc1ccncn1 ZINC000111569093 186428979 /nfs/dbraw/zinc/42/89/79/186428979.db2.gz ZAQMGTPYZSSUGB-UHFFFAOYSA-N 1 0 275.377 2.364 10 0 CEAERO COCC[NH2+]C[C@H]1CCCCN1CCc1cccs1 ZINC000111616338 186433383 /nfs/dbraw/zinc/43/33/83/186433383.db2.gz VYXSMCOXNSNJEA-CQSZACIVSA-N 1 0 282.453 2.381 10 0 CEAERO COC[C@H](C)[NH2+]CCn1ccc2cc(F)ccc21 ZINC000111683648 186441210 /nfs/dbraw/zinc/44/12/10/186441210.db2.gz PDYPJRSDJBKPHZ-NSHDSACASA-N 1 0 250.317 2.405 10 0 CEAERO c1ccc2sc(NCCOC3CC[NH2+]CC3)nc2c1 ZINC000111755793 186453393 /nfs/dbraw/zinc/45/33/93/186453393.db2.gz CJBAYGQSBXPHSA-UHFFFAOYSA-N 1 0 277.393 2.477 10 0 CEAERO O=C(CCOC1CC[NH2+]CC1)Nc1cccc(F)c1F ZINC000111801356 186458717 /nfs/dbraw/zinc/45/87/17/186458717.db2.gz BUYJIOOZZDZLEW-UHFFFAOYSA-N 1 0 284.306 2.062 10 0 CEAERO COc1cc(Cl)ccc1C(=O)NC1(C[NH3+])CCCC1 ZINC000111831818 186462365 /nfs/dbraw/zinc/46/23/65/186462365.db2.gz CGRSYPMARFYSCX-UHFFFAOYSA-N 1 0 282.771 2.350 10 0 CEAERO [NH3+]C[C@@H](NC(=O)Cc1cccc(F)c1)c1ccccc1 ZINC000111365443 186406835 /nfs/dbraw/zinc/40/68/35/186406835.db2.gz WMHRDMMDEDBYLM-OAHLLOKOSA-N 1 0 272.323 2.184 10 0 CEAERO [NH3+]C[C@H](Cc1ccccc1)NC(=O)C1CCCCC1 ZINC000111365643 186406972 /nfs/dbraw/zinc/40/69/72/186406972.db2.gz DCYWLTNGEKOWJT-HNNXBMFYSA-N 1 0 260.381 2.253 10 0 CEAERO C[C@@H]1CCC[C@@](C[NH3+])(NC(=O)c2ccc3c(c2)COC3)C1 ZINC000111369956 186407676 /nfs/dbraw/zinc/40/76/76/186407676.db2.gz HRGOXXPPSYWIOV-SJKOYZFVSA-N 1 0 288.391 2.354 10 0 CEAERO C[C@@H]1CCC[C@@](C[NH3+])(NC(=O)Cc2ccccc2)C1 ZINC000111369630 186408022 /nfs/dbraw/zinc/40/80/22/186408022.db2.gz VGNCQJHWXIJGFX-CZUORRHYSA-N 1 0 260.381 2.253 10 0 CEAERO CC1CCC(C[NH3+])(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000111370506 186409092 /nfs/dbraw/zinc/40/90/92/186409092.db2.gz BVGIXMPTJRPCKR-ARFQPEPTSA-N 1 0 264.413 2.446 10 0 CEAERO Cc1ncc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)o1 ZINC000628181553 350993422 /nfs/dbraw/zinc/99/34/22/350993422.db2.gz HKVSETTUMHNNTM-TZMCWYRMSA-N 1 0 250.342 2.110 10 0 CEAERO C[NH+](C)[C@@H]1CCN(Cc2ccc(N)cc2C(F)(F)F)C1 ZINC000114163959 186610211 /nfs/dbraw/zinc/61/02/11/186610211.db2.gz ZQTVYDPNUSCXAP-GFCCVEGCSA-N 1 0 287.329 2.424 10 0 CEAERO CCC[C@H]([NH3+])Cc1nc(Cc2nc3ccccc3[nH]2)no1 ZINC000113285069 186569740 /nfs/dbraw/zinc/56/97/40/186569740.db2.gz QRNXIRVUDMRPQS-JTQLQIEISA-N 1 0 285.351 2.207 10 0 CEAERO Cn1cc([C@H]2CC[N@H+](CCOc3ccc(F)cc3)C2)cn1 ZINC000116316738 186707103 /nfs/dbraw/zinc/70/71/03/186707103.db2.gz QWCJNOLRRYPIKB-ZDUSSCGKSA-N 1 0 289.354 2.428 10 0 CEAERO CO[C@@H]1C[NH2+][C@](C)(c2nc(-c3ccc(C)cc3)no2)C1 ZINC000629676315 351463261 /nfs/dbraw/zinc/46/32/61/351463261.db2.gz GMVNGXWWUVNEJA-WFASDCNBSA-N 1 0 273.336 2.269 10 0 CEAERO CC(C)(NCCC[NH+]1CCCC1)c1nccs1 ZINC000119968850 186865984 /nfs/dbraw/zinc/86/59/84/186865984.db2.gz FAZZTLJSQYREKQ-UHFFFAOYSA-N 1 0 253.415 2.454 10 0 CEAERO CC(C)CC[NH+]1CCC(CNC(=O)[C@H]2CC[C@H](C)O2)CC1 ZINC000120042516 186871360 /nfs/dbraw/zinc/87/13/60/186871360.db2.gz JQOQTOFKOMLYDY-GOEBONIOSA-N 1 0 296.455 2.428 10 0 CEAERO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2C[C@@H]2C)c(OC)c1 ZINC000120420912 186898791 /nfs/dbraw/zinc/89/87/91/186898791.db2.gz VXNUYHNJYJSMMI-MJVIPROJSA-N 1 0 292.379 2.419 10 0 CEAERO [NH3+][C@H]1CCCN(c2ccc(-c3cccc(F)c3)nn2)C1 ZINC000070458501 363086071 /nfs/dbraw/zinc/08/60/71/363086071.db2.gz PVOWFRYKUYLPSK-ZDUSSCGKSA-N 1 0 272.327 2.210 10 0 CEAERO Cc1nc(-c2ccccc2)cc(N2CCC[C@H]([NH3+])C2)n1 ZINC000070458534 363086246 /nfs/dbraw/zinc/08/62/46/363086246.db2.gz FJVPXMCKLWXXHK-AWEZNQCLSA-N 1 0 268.364 2.380 10 0 CEAERO CC(C)c1nc(-c2cccnc2)cc(N2CCC[NH2+]CC2)n1 ZINC000070452006 363084074 /nfs/dbraw/zinc/08/40/74/363084074.db2.gz KKWNVJYWOFXHKI-UHFFFAOYSA-N 1 0 297.406 2.462 10 0 CEAERO CO[C@H]1CN(Cc2ccccc2Cl)[C@](C)(C[NH3+])C1 ZINC000630357181 351710724 /nfs/dbraw/zinc/71/07/24/351710724.db2.gz XEYZEIJZPSKFES-OCCSQVGLSA-N 1 0 268.788 2.278 10 0 CEAERO CO[C@@H]1CN(Cc2c(C)cccc2C)[C@@](C)(C[NH3+])C1 ZINC000630361689 351712016 /nfs/dbraw/zinc/71/20/16/351712016.db2.gz VEWBPDCSVNPKHN-GOEBONIOSA-N 1 0 262.397 2.242 10 0 CEAERO CO[C@@H]1CN(C[C@H]2CCCCC2(F)F)[C@](C)(C[NH3+])C1 ZINC000630363569 351712530 /nfs/dbraw/zinc/71/25/30/351712530.db2.gz BRPRCWUSDYMSML-AGIUHOORSA-N 1 0 276.371 2.250 10 0 CEAERO CO[C@H]1CN(C(=O)c2ccc(C)cc2Cl)[C@@](C)(C[NH3+])C1 ZINC000630374862 351715320 /nfs/dbraw/zinc/71/53/20/351715320.db2.gz PFNINOMHWFBCNB-IAQYHMDHSA-N 1 0 296.798 2.227 10 0 CEAERO CC[C@H]1CC[C@H](C(=O)N2C[C@@H](OC)C[C@]2(C)C[NH3+])CC1 ZINC000630371904 351715545 /nfs/dbraw/zinc/71/55/45/351715545.db2.gz CADIBTQNMRGWDY-RZLSGREXSA-N 1 0 282.428 2.168 10 0 CEAERO C[C@@H]1[NH2+]CC[C@H]1Nc1ncccc1Br ZINC000630544203 351779165 /nfs/dbraw/zinc/77/91/65/351779165.db2.gz GKXMLDAILIQCPC-IONNQARKSA-N 1 0 256.147 2.006 10 0 CEAERO C[C@@H]1CN(c2ccc(C(F)(F)F)cn2)C[C@@H]1C[NH3+] ZINC000630571790 351788882 /nfs/dbraw/zinc/78/88/82/351788882.db2.gz PVHRFWOWUQVTFH-BDAKNGLRSA-N 1 0 259.275 2.131 10 0 CEAERO CCc1cc2c(ncnc2NCC2([NH3+])CCOCC2)s1 ZINC000630523841 351772076 /nfs/dbraw/zinc/77/20/76/351772076.db2.gz DVUNHGDYQBZXMR-UHFFFAOYSA-N 1 0 292.408 2.174 10 0 CEAERO CCc1nsc(N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)n1 ZINC000630526989 351773282 /nfs/dbraw/zinc/77/32/82/351773282.db2.gz PCHKMJQLKKCLKF-YUMQZZPRSA-N 1 0 294.346 2.064 10 0 CEAERO Cc1cnn([C@H]2CCC[N@H+](CC3=CCCOC3)C2)c1 ZINC000123084437 187070479 /nfs/dbraw/zinc/07/04/79/187070479.db2.gz UWHREBLFKYDINE-HNNXBMFYSA-N 1 0 261.369 2.175 10 0 CEAERO CC(C)=CCC[C@@H](C)[NH2+]C[C@@H](C)N1CCOCC1 ZINC000123309113 187084112 /nfs/dbraw/zinc/08/41/12/187084112.db2.gz XEXNSQOUHWCHNB-HUUCEWRRSA-N 1 0 254.418 2.432 10 0 CEAERO C[C@H](C[NH2+][C@@H](C)c1cccnc1Cl)N1CCOCC1 ZINC000123322024 187084818 /nfs/dbraw/zinc/08/48/18/187084818.db2.gz MUSXTMQECYDMGX-NEPJUHHUSA-N 1 0 283.803 2.106 10 0 CEAERO CCn1cc(C2CC[NH+](C[C@](C)(O)CC)CC2)cn1 ZINC000123480991 187094226 /nfs/dbraw/zinc/09/42/26/187094226.db2.gz LQXBMIKTRWYZND-OAHLLOKOSA-N 1 0 265.401 2.243 10 0 CEAERO CCC[C@H](C(=O)N1CCS[C@H](CC)C1)[NH+](C)C ZINC000123621783 187100964 /nfs/dbraw/zinc/10/09/64/187100964.db2.gz BQZQFSJQZZPWLH-VXGBXAGGSA-N 1 0 258.431 2.071 10 0 CEAERO COc1cc(C)c(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000070575058 363097497 /nfs/dbraw/zinc/09/74/97/363097497.db2.gz FXOYCQHWOHCQQH-RYUDHWBXSA-N 1 0 292.379 2.468 10 0 CEAERO C[C@H]1CC[C@H](C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)O1 ZINC000131747241 187585596 /nfs/dbraw/zinc/58/55/96/187585596.db2.gz JHMYDPCAOBACKQ-LJISPDSOSA-N 1 0 282.428 2.038 10 0 CEAERO Cn1nccc1[C@H]([NH3+])c1cc(Br)cs1 ZINC000070599046 363100949 /nfs/dbraw/zinc/10/09/49/363100949.db2.gz CKUMKUPFRMSMGZ-VIFPVBQESA-N 1 0 272.171 2.292 10 0 CEAERO C[C@H](NC(=O)[C@H]1CC[NH2+][C@@H]1C)c1cc(F)ccc1F ZINC000092951665 539831602 /nfs/dbraw/zinc/83/16/02/539831602.db2.gz AMHZXHCTTBEKBD-YWVKMMECSA-N 1 0 268.307 2.140 10 0 CEAERO Cc1ccccc1CCNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000094183562 539870766 /nfs/dbraw/zinc/87/07/66/539870766.db2.gz GPHSQSYTDJSTTN-CABCVRRESA-N 1 0 260.381 2.029 10 0 CEAERO CCCN(CC[NH+](CC)CC)Cc1c(C)nn(C)c1OC ZINC000133374659 187680728 /nfs/dbraw/zinc/68/07/28/187680728.db2.gz PRXATRRWBAXUDP-UHFFFAOYSA-N 1 0 296.459 2.291 10 0 CEAERO C[NH2+]CCC1CCN(c2ncnc3c2CCCC3)CC1 ZINC000094872538 539886854 /nfs/dbraw/zinc/88/68/54/539886854.db2.gz LBGOVIBOFYNDLA-UHFFFAOYSA-N 1 0 274.412 2.181 10 0 CEAERO CCOc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)cc1F ZINC000135363334 187823731 /nfs/dbraw/zinc/82/37/31/187823731.db2.gz QJQWDWULDSFTAG-MWLCHTKSSA-N 1 0 266.316 2.018 10 0 CEAERO Cn1cc(Cl)cc1C[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000245579312 539952107 /nfs/dbraw/zinc/95/21/07/539952107.db2.gz BXBAMUQMTIVTTH-CHWSQXEVSA-N 1 0 256.777 2.414 10 0 CEAERO COc1cccnc1NCc1ccc2c(c1)C[NH2+]C2 ZINC000097829826 539953261 /nfs/dbraw/zinc/95/32/61/539953261.db2.gz ZTKRKZHRSCLWOP-UHFFFAOYSA-N 1 0 255.321 2.306 10 0 CEAERO [NH3+][C@H](CNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl)C1CC1 ZINC000245719878 539955084 /nfs/dbraw/zinc/95/50/84/539955084.db2.gz VTPRGIIDRPQAEF-GIPNMCIBSA-N 1 0 296.773 2.436 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@H]1c1cccnc1 ZINC000249910913 539963104 /nfs/dbraw/zinc/96/31/04/539963104.db2.gz OGLPPIQPEVHBOE-QEJZJMRPSA-N 1 0 273.380 2.120 10 0 CEAERO Cc1ccccc1C[C@H](C)NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000251168557 539972267 /nfs/dbraw/zinc/97/22/67/539972267.db2.gz OJRKNKDPODPFPI-BPUTZDHNSA-N 1 0 274.408 2.417 10 0 CEAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000251067282 539971830 /nfs/dbraw/zinc/97/18/30/539971830.db2.gz DOWMUVAPCBWJTN-FQUUOJAGSA-N 1 0 250.386 2.023 10 0 CEAERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1ccc2cc[nH]c2c1 ZINC000155228569 188192555 /nfs/dbraw/zinc/19/25/55/188192555.db2.gz PCPPTDSGRPEMLW-VXGBXAGGSA-N 1 0 271.364 2.333 10 0 CEAERO COc1ccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000155686781 188221531 /nfs/dbraw/zinc/22/15/31/188221531.db2.gz VRUCMJHVIYDFLZ-DOMZBBRYSA-N 1 0 276.380 2.154 10 0 CEAERO O[C@@H](COCc1ccccc1)C[N@@H+]1CCC2(CCC2)C1 ZINC000156797792 188282048 /nfs/dbraw/zinc/28/20/48/188282048.db2.gz QHRXCYAPJHRUHQ-MRXNPFEDSA-N 1 0 275.392 2.440 10 0 CEAERO CC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CN(C)CCO2)CC1 ZINC000252546591 540004654 /nfs/dbraw/zinc/00/46/54/540004654.db2.gz KRADEAZULKTDEI-KFWWJZLASA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@@H]1CN(c2ccncc2Br)CC[C@H]1[NH3+] ZINC000252836833 540008930 /nfs/dbraw/zinc/00/89/30/540008930.db2.gz XLOMAQJIDQFNPY-MWLCHTKSSA-N 1 0 284.201 2.408 10 0 CEAERO O[C@@H]1CCCC[C@H]1[C@@H]1CCC[N@@H+]1CCOCC1CC1 ZINC000337278005 366121734 /nfs/dbraw/zinc/12/17/34/366121734.db2.gz FXWNRIUAHVGPAY-HRCADAONSA-N 1 0 267.413 2.429 10 0 CEAERO COc1cc(F)ccc1NC(=O)C1CCC([NH3+])CC1 ZINC000049569954 522604362 /nfs/dbraw/zinc/60/43/62/522604362.db2.gz NHLQNYNRHFUSHG-UHFFFAOYSA-N 1 0 266.316 2.290 10 0 CEAERO CC(=O)Nc1cc(NC[C@H]2CCC[NH2+]C2)ccc1F ZINC000132185286 366123897 /nfs/dbraw/zinc/12/38/97/366123897.db2.gz RBTGXZJVJGVHOZ-NSHDSACASA-N 1 0 265.332 2.196 10 0 CEAERO C[C@@H]1CCC[C@H](C[N@@H+]2CC[C@H](N3CCOCC3)C2)C1 ZINC000133412664 366220750 /nfs/dbraw/zinc/22/07/50/366220750.db2.gz DINWNNMOYAWLLI-PMPSAXMXSA-N 1 0 266.429 2.219 10 0 CEAERO C[C@H]1C[C@@H](C(=O)N2CC3(C2)CCCC3)CC[N@@H+]1C ZINC000334593643 291035503 /nfs/dbraw/zinc/03/55/03/291035503.db2.gz APCLZMQSSGJFLH-STQMWFEESA-N 1 0 250.386 2.119 10 0 CEAERO C[C@@H]([NH3+])CCC(=O)N[C@H](C)c1cc(F)ccc1F ZINC000070315199 540059513 /nfs/dbraw/zinc/05/95/13/540059513.db2.gz VVUIPLIJTCSROP-RKDXNWHRSA-N 1 0 256.296 2.269 10 0 CEAERO COc1cccc2ncnc(N[C@H]3CC[C@H](C[NH3+])C3)c21 ZINC000569912639 299225573 /nfs/dbraw/zinc/22/55/73/299225573.db2.gz BEGUSCXGAUKFBZ-QWRGUYRKSA-N 1 0 272.352 2.178 10 0 CEAERO C[C@H]([NH3+])CNc1noc2ccc(Br)cc21 ZINC000257719436 540103244 /nfs/dbraw/zinc/10/32/44/540103244.db2.gz WQTUDPRDIRVGER-LURJTMIESA-N 1 0 270.130 2.349 10 0 CEAERO CC(C)c1cc(N(C)CC[C@@H]([NH3+])C(C)C)ncn1 ZINC000133579918 366236821 /nfs/dbraw/zinc/23/68/21/366236821.db2.gz VRBWEHIVEJTJAK-GFCCVEGCSA-N 1 0 250.390 2.410 10 0 CEAERO C[C@H](C(=O)N[C@@H]1C[C@@H]2C[C@H](C[NH3+])C[C@H]12)C(C)(C)C ZINC000675070968 540112777 /nfs/dbraw/zinc/11/27/77/540112777.db2.gz UYEUPNNBBZMTCD-QNWJLWSRSA-N 1 0 252.402 2.158 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000261550451 540148823 /nfs/dbraw/zinc/14/88/23/540148823.db2.gz NGKDQIPRHKBMPV-OPRDCNLKSA-N 1 0 266.307 2.079 10 0 CEAERO COc1cccc(C[C@H](C)NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000261726814 540150677 /nfs/dbraw/zinc/15/06/77/540150677.db2.gz KOELGDAJGATHLJ-JGGQBBKZSA-N 1 0 290.407 2.117 10 0 CEAERO COc1ccc(C[N@@H+]2CCC[C@H](O)[C@H]2C)c(F)c1 ZINC000384940211 540220713 /nfs/dbraw/zinc/22/07/13/540220713.db2.gz UFDXTJUKHBLFSW-YGRLFVJLSA-N 1 0 253.317 2.180 10 0 CEAERO Cc1nnc([C@@H](C)[NH2+]C[C@@](C)(O)c2ccccc2)s1 ZINC000273587653 192218566 /nfs/dbraw/zinc/21/85/66/192218566.db2.gz IGOILBYITKTKIZ-QMTHXVAHSA-N 1 0 277.393 2.405 10 0 CEAERO [NH3+]C1([C@H](O)c2sccc2Br)CCC1 ZINC000575497687 366292067 /nfs/dbraw/zinc/29/20/67/366292067.db2.gz JTBBYKMCGKMNII-MRVPVSSYSA-N 1 0 262.172 2.425 10 0 CEAERO [NH3+]C1(Cc2cccc(Br)c2)CSC1 ZINC000575548587 366294756 /nfs/dbraw/zinc/29/47/56/366294756.db2.gz FMYMUTTZHONNHM-UHFFFAOYSA-N 1 0 258.184 2.436 10 0 CEAERO CC1(C)C([C@H]([NH3+])CN2C(=O)c3ccccc3C2=O)C1(C)C ZINC000575588726 366297364 /nfs/dbraw/zinc/29/73/64/366297364.db2.gz SNKFRPXZFALSOI-GFCCVEGCSA-N 1 0 286.375 2.292 10 0 CEAERO C[C@H]1C[N@H+](C[C@](C)(O)c2ccccc2)CCS1 ZINC000134342305 366310267 /nfs/dbraw/zinc/31/02/67/366310267.db2.gz ZLIDZTBSRUIDDZ-JSGCOSHPSA-N 1 0 251.395 2.331 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCc1ccco1 ZINC000079011857 363564685 /nfs/dbraw/zinc/56/46/85/363564685.db2.gz REIXWNXZQAGWFJ-GFCCVEGCSA-N 1 0 267.373 2.055 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H]2CCCCC2(C)C)C1 ZINC000094325710 538860129 /nfs/dbraw/zinc/86/01/29/538860129.db2.gz NNGPHPVSSSHQQI-ZIAGYGMSSA-N 1 0 254.418 2.266 10 0 CEAERO [NH3+]C1(CC(=O)NC2CCC(C(F)(F)F)CC2)CC1 ZINC000398107202 538864615 /nfs/dbraw/zinc/86/46/15/538864615.db2.gz WLSKAZASWLABBL-UHFFFAOYSA-N 1 0 264.291 2.105 10 0 CEAERO CC(C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000307828736 540301833 /nfs/dbraw/zinc/30/18/33/540301833.db2.gz FEDWPHUARKHXAE-MELADBBJSA-N 1 0 252.402 2.256 10 0 CEAERO C[C@@H](COCc1ccccc1)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000390784066 540396659 /nfs/dbraw/zinc/39/66/59/540396659.db2.gz UDVUYTYVZVWBOJ-GOEBONIOSA-N 1 0 290.407 2.098 10 0 CEAERO CCCNC(=O)C[N@H+](C)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000247105860 283365549 /nfs/dbraw/zinc/36/55/49/283365549.db2.gz VJYYQSHGCGIRPZ-UONOGXRCSA-N 1 0 282.428 2.182 10 0 CEAERO CCC(=O)Nc1ccc(C)c(NC(=O)[C@@]2(C)CCC[NH2+]2)c1 ZINC000079513216 363611120 /nfs/dbraw/zinc/61/11/20/363611120.db2.gz IBIKBHXBWCUTCJ-MRXNPFEDSA-N 1 0 289.379 2.424 10 0 CEAERO O[C@@H]1CCCCC[C@H]1[NH2+]C1CCN(c2ccccn2)CC1 ZINC000135610265 366460209 /nfs/dbraw/zinc/46/02/09/366460209.db2.gz LSBWACGUPCQZKK-HZPDHXFCSA-N 1 0 289.423 2.334 10 0 CEAERO C[C@@]1(C(=O)N2CCC[C@H](C(F)(F)F)C2)CCCC[NH2+]1 ZINC000136139097 366498751 /nfs/dbraw/zinc/49/87/51/366498751.db2.gz YPBJAFOQROQHGE-JQWIXIFHSA-N 1 0 278.318 2.320 10 0 CEAERO C[C@](CO)([NH2+]C[C@H]1CCC[C@H](O)C1)c1ccccc1 ZINC000311828695 540458166 /nfs/dbraw/zinc/45/81/66/540458166.db2.gz OSYCAFPDJHRDMT-CWRNSKLLSA-N 1 0 263.381 2.035 10 0 CEAERO C[C@](CO)([NH2+]C[C@H]1CCC[C@@H](O)C1)c1ccccc1 ZINC000311828697 540458236 /nfs/dbraw/zinc/45/82/36/540458236.db2.gz OSYCAFPDJHRDMT-NUEKZKHPSA-N 1 0 263.381 2.035 10 0 CEAERO Cc1cccc(F)c1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000225016091 540585698 /nfs/dbraw/zinc/58/56/98/540585698.db2.gz ZJFPRZKNMGJYMO-NSHDSACASA-N 1 0 250.317 2.462 10 0 CEAERO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1cc(Cl)nc(N)n1 ZINC000146828527 366574249 /nfs/dbraw/zinc/57/42/49/366574249.db2.gz BXWAOBOOZPBLET-DTORHVGOSA-N 1 0 254.765 2.475 10 0 CEAERO Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@@H]2CC[C@@H](C)O2)o1 ZINC000151040932 366615184 /nfs/dbraw/zinc/61/51/84/366615184.db2.gz QWEVEFLSEOLEEZ-HIFRSBDPSA-N 1 0 294.395 2.046 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)NCc1cc(C)ccc1OC(F)F ZINC000236963729 370667253 /nfs/dbraw/zinc/66/72/53/370667253.db2.gz YHULZFXHTUSDJY-LLVKDONJSA-N 1 0 286.322 2.340 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)COc1ccccc1F ZINC000177026997 189022162 /nfs/dbraw/zinc/02/21/62/189022162.db2.gz FVCZMKNJADKHNY-ZDUSSCGKSA-N 1 0 294.370 2.147 10 0 CEAERO COc1cccc([C@H](C)[NH2+]C[C@H](C)N2CCOCC2)c1 ZINC000177199131 189036119 /nfs/dbraw/zinc/03/61/19/189036119.db2.gz NWSRGVXHWBBTPV-KBPBESRZSA-N 1 0 278.396 2.067 10 0 CEAERO CC[C@@H](C(=O)N[C@H](C)COCc1ccccc1)[NH+](C)C ZINC000178567859 189127773 /nfs/dbraw/zinc/12/77/73/189127773.db2.gz ZYJIDDRFSDWUGL-HIFRSBDPSA-N 1 0 278.396 2.048 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)c1ccc(C(C)=O)cn1 ZINC000178881815 189152034 /nfs/dbraw/zinc/15/20/34/189152034.db2.gz SKLRIJJKXJPHKZ-CQSZACIVSA-N 1 0 261.369 2.205 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCCc3cc(F)ccc32)C1 ZINC000237932849 283594139 /nfs/dbraw/zinc/59/41/39/283594139.db2.gz BHWAXKUOZRQPNV-DGCLKSJQSA-N 1 0 262.328 2.232 10 0 CEAERO CCC[C@@H](C(=O)Nc1ccc2c[nH]nc2c1)[NH+](C)C ZINC000179368745 189189240 /nfs/dbraw/zinc/18/92/40/189189240.db2.gz FKJMDDOAOANRNU-ZDUSSCGKSA-N 1 0 260.341 2.232 10 0 CEAERO Cc1nn(-c2ccccc2)cc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179546039 189200692 /nfs/dbraw/zinc/20/06/92/189200692.db2.gz NATQDIXPISSNRR-GOSISDBHSA-N 1 0 296.418 2.461 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cnn2ccccc12 ZINC000179559112 189202172 /nfs/dbraw/zinc/20/21/72/189202172.db2.gz YNEZZTSWSZWMQT-HNNXBMFYSA-N 1 0 272.396 2.250 10 0 CEAERO COc1ccc([C@H](C)C[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000179637291 189209254 /nfs/dbraw/zinc/20/92/54/189209254.db2.gz VIDORQPAYNZRKR-CZUORRHYSA-N 1 0 290.407 2.351 10 0 CEAERO CC(C)n1cc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)cn1 ZINC000179808095 189221126 /nfs/dbraw/zinc/22/11/26/189221126.db2.gz MRPCSWUOQYYHKP-CQSZACIVSA-N 1 0 273.384 2.187 10 0 CEAERO CC[C@@H](C)[NH2+][C@@H](CC(C)C)c1nc(-c2nc[nH]n2)no1 ZINC000179804685 189221449 /nfs/dbraw/zinc/22/14/49/189221449.db2.gz IAIKHMYLWMRGFW-ZJUUUORDSA-N 1 0 278.360 2.330 10 0 CEAERO Cn1cc(CN2CC[N@@H+]3CCC[C@@H]3C2)c(-c2ccccc2)n1 ZINC000180147712 189239366 /nfs/dbraw/zinc/23/93/66/189239366.db2.gz JYVANNHKMXVAGR-QGZVFWFLSA-N 1 0 296.418 2.367 10 0 CEAERO CC(C)(C)OC[C@H](O)C[N@H+](Cc1cccnc1)C1CC1 ZINC000180731890 189272647 /nfs/dbraw/zinc/27/26/47/189272647.db2.gz ANTGFPMSBPMIKZ-OAHLLOKOSA-N 1 0 278.396 2.222 10 0 CEAERO COc1ccccc1CC[NH2+]Cc1cnn(C)c1C ZINC000002536447 361239055 /nfs/dbraw/zinc/23/90/55/361239055.db2.gz MZQIWMBWAKVLCG-UHFFFAOYSA-N 1 0 259.353 2.069 10 0 CEAERO COc1cc([C@H](C)[NH3+])c(OC)cc1Br ZINC000003705590 361288235 /nfs/dbraw/zinc/28/82/35/361288235.db2.gz JKOMOTQHGDWZAQ-LURJTMIESA-N 1 0 260.131 2.486 10 0 CEAERO CC(=O)Nc1ccc2oc([C@@H](O)C[NH2+]C(C)C)cc2c1 ZINC000003652853 361288474 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ZINC000155365057 366817372 /nfs/dbraw/zinc/81/73/72/366817372.db2.gz WZUYIGDRHGVAFQ-ZFWWWQNUSA-N 1 0 282.428 2.038 10 0 CEAERO Cc1ccc(C)c(NC(=O)CN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000023249619 361595790 /nfs/dbraw/zinc/59/57/90/361595790.db2.gz BJGZRRLFPFXYII-OAHLLOKOSA-N 1 0 287.407 2.022 10 0 CEAERO COc1cccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000027932489 361662923 /nfs/dbraw/zinc/66/29/23/361662923.db2.gz VWJNJHBWNSBJHS-CYBMUJFWSA-N 1 0 275.352 2.007 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H](c2ccc(Br)cc2)O1 ZINC000032108967 361728229 /nfs/dbraw/zinc/72/82/29/361728229.db2.gz RNNLKNHVQCIWCM-LDYMZIIASA-N 1 0 256.143 2.499 10 0 CEAERO OC1CC(C[NH2+]Cc2cccc(Br)c2)C1 ZINC000084447686 363811209 /nfs/dbraw/zinc/81/12/09/363811209.db2.gz SUZFOOXUNXDCPI-UHFFFAOYSA-N 1 0 270.170 2.310 10 0 CEAERO CCCc1nsc(N[C@H](C)[C@@H]2CCC[NH2+]C2)n1 ZINC000087642478 363865034 /nfs/dbraw/zinc/86/50/34/363865034.db2.gz DIFNMZSUUHWKQH-NXEZZACHSA-N 1 0 254.403 2.291 10 0 CEAERO CCCc1nsc(N[C@@H](C)[C@@H]2CCC[NH2+]C2)n1 ZINC000087642477 363865507 /nfs/dbraw/zinc/86/55/07/363865507.db2.gz DIFNMZSUUHWKQH-VHSXEESVSA-N 1 0 254.403 2.291 10 0 CEAERO [NH3+][C@H]1CCC[C@H](C(=O)NCC(C2CC2)C2CC2)C1 ZINC000088456997 363897846 /nfs/dbraw/zinc/89/78/46/363897846.db2.gz YURSPJMJSUWTJS-STQMWFEESA-N 1 0 250.386 2.056 10 0 CEAERO COC(=O)c1cccc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])c1C ZINC000089452770 363968648 /nfs/dbraw/zinc/96/86/48/363968648.db2.gz ODROLUPCJXLISG-YPMHNXCESA-N 1 0 290.363 2.095 10 0 CEAERO COc1ccc([C@@H](C)NC(=O)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000090310262 364052131 /nfs/dbraw/zinc/05/21/31/364052131.db2.gz OMTJZRLJFJBLFY-OLZOCXBDSA-N 1 0 276.380 2.262 10 0 CEAERO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cccnc2C)C1 ZINC000092708628 364100902 /nfs/dbraw/zinc/10/09/02/364100902.db2.gz IYNZIHQFZHRJOD-OAHLLOKOSA-N 1 0 275.396 2.271 10 0 CEAERO Cc1n[nH]cc1C[N@@H+]1CC[C@H](CNc2cccc(C)n2)C1 ZINC000092813426 364110529 /nfs/dbraw/zinc/11/05/29/364110529.db2.gz DDTZXSAGAUNBPK-CQSZACIVSA-N 1 0 285.395 2.356 10 0 CEAERO Cc1ccc(N2CCC[N@H+](Cc3ccco3)CC2)nn1 ZINC000093151194 364147287 /nfs/dbraw/zinc/14/72/87/364147287.db2.gz AOCULANXSVBNGJ-UHFFFAOYSA-N 1 0 272.352 2.090 10 0 CEAERO Cc1ccc(N2CCC[N@H+](Cc3cccc(O)c3)CC2)nn1 ZINC000093272153 364156733 /nfs/dbraw/zinc/15/67/33/364156733.db2.gz MMOBSLDMSVFJOO-UHFFFAOYSA-N 1 0 298.390 2.203 10 0 CEAERO Cc1cc(O[C@H](C)C(=O)N2CCC[C@H]2C[NH3+])ccc1Cl ZINC000237454708 370722710 /nfs/dbraw/zinc/72/27/10/370722710.db2.gz TUDNLAXKMZNBGC-NEPJUHHUSA-N 1 0 296.798 2.365 10 0 CEAERO C[C@]1(C(=O)N2CCCC3(CC3)CC2)CCCC[NH2+]1 ZINC000638755915 370726916 /nfs/dbraw/zinc/72/69/16/370726916.db2.gz ICDSZLYHEDREON-CQSZACIVSA-N 1 0 250.386 2.311 10 0 CEAERO COc1c(C[N@H+](C)[C@H](C)CCSC)c(C)nn1C ZINC000093558824 364198343 /nfs/dbraw/zinc/19/83/43/364198343.db2.gz VKJLFSKLSMSBPO-SNVBAGLBSA-N 1 0 271.430 2.311 10 0 CEAERO Cc1c(C[NH2+]CCOC2CCCCC2)cnn1C ZINC000093650291 364211344 /nfs/dbraw/zinc/21/13/44/364211344.db2.gz ZPAHQSGOVCHEIN-UHFFFAOYSA-N 1 0 251.374 2.167 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1CCCC12CC2 ZINC000638794257 370756491 /nfs/dbraw/zinc/75/64/91/370756491.db2.gz CATDTZRKTKNMFA-RWMBFGLXSA-N 1 0 250.386 2.071 10 0 CEAERO COc1c(C[N@@H+]2CC[C@H](C)[C@H](C)C2)c(C)nn1C ZINC000093480899 364190294 /nfs/dbraw/zinc/19/02/94/364190294.db2.gz LCSLJTOOMKDJNB-WDEREUQCSA-N 1 0 251.374 2.215 10 0 CEAERO CNc1nc2ccccc2nc1OCC1CC[NH2+]CC1 ZINC000095071410 364330949 /nfs/dbraw/zinc/33/09/49/364330949.db2.gz VIGLKUWFPMTMKA-UHFFFAOYSA-N 1 0 272.352 2.050 10 0 CEAERO [NH3+]C[C@H]1CCCCN1Cc1ccnc(Br)c1 ZINC000095072453 364332304 /nfs/dbraw/zinc/33/23/04/364332304.db2.gz BNACXNGMKZFSSN-LLVKDONJSA-N 1 0 284.201 2.157 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1NCc1ccc(Br)nc1 ZINC000095072287 364332366 /nfs/dbraw/zinc/33/23/66/364332366.db2.gz NIEWQNVAXKUNHG-WDEREUQCSA-N 1 0 284.201 2.204 10 0 CEAERO CC[NH2+][C@@H](CCO)[C@@H]1CCCCN1Cc1ccccc1 ZINC000095091380 364337118 /nfs/dbraw/zinc/33/71/18/364337118.db2.gz NCKSHUQDCDWBCF-IRXDYDNUSA-N 1 0 276.424 2.402 10 0 CEAERO CN(C[C@H]1CC[N@H+](C)C1)c1c(F)c(F)nc(F)c1F ZINC000094628429 364284897 /nfs/dbraw/zinc/28/48/97/364284897.db2.gz MDYPFVYKBVSEON-ZETCQYMHSA-N 1 0 277.265 2.026 10 0 CEAERO CC(C)(C)OC(=O)N1CC[NH2+][C@H]2CCCC[C@@H]2C1 ZINC000095215333 364341776 /nfs/dbraw/zinc/34/17/76/364341776.db2.gz HRQAUZRRQQJTJN-NEPJUHHUSA-N 1 0 254.374 2.386 10 0 CEAERO C[C@@H](C[NH3+])[C@H](O)c1cccc(F)c1Br ZINC000156252309 366828703 /nfs/dbraw/zinc/82/87/03/366828703.db2.gz NVJNJNBTFZXIHM-WKEGUHRASA-N 1 0 262.122 2.216 10 0 CEAERO Cc1ccnc(N(C)C2CC([NH3+])C2)c1Br ZINC000335659866 212378569 /nfs/dbraw/zinc/37/85/69/212378569.db2.gz MHNKYENMUBYTKW-UHFFFAOYSA-N 1 0 270.174 2.078 10 0 CEAERO CCc1ccc(N2C(=O)C[C@@H]([NH2+]C3CCCC3)C2=O)cc1 ZINC000102405638 364593660 /nfs/dbraw/zinc/59/36/60/364593660.db2.gz WKOGNPNJXITZLC-OAHLLOKOSA-N 1 0 286.375 2.413 10 0 CEAERO Cc1ccc(O)c(C[NH2+][C@@H](CN(C)C)c2ccccc2)n1 ZINC000103341268 364641915 /nfs/dbraw/zinc/64/19/15/364641915.db2.gz JVPDPTJZFMSSGH-INIZCTEOSA-N 1 0 285.391 2.488 10 0 CEAERO CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)COC)CC(C)C ZINC000103534184 364663738 /nfs/dbraw/zinc/66/37/38/364663738.db2.gz PJHPWLXJZRABJI-KBPBESRZSA-N 1 0 272.433 2.142 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nn(C)cc1Cl ZINC000335446155 364746674 /nfs/dbraw/zinc/74/66/74/364746674.db2.gz ZDSYZEJQHCTBMK-RYUDHWBXSA-N 1 0 282.819 2.132 10 0 CEAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1C[C@@H]1CCCO1 ZINC000105895495 364703294 /nfs/dbraw/zinc/70/32/94/364703294.db2.gz HTVRHGUCCPCCHR-UONOGXRCSA-N 1 0 263.385 2.353 10 0 CEAERO CC(C)(C)CC[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000112697785 364829454 /nfs/dbraw/zinc/82/94/54/364829454.db2.gz JPMJSBDKIWDKCE-UHFFFAOYSA-N 1 0 262.401 2.425 10 0 CEAERO Fc1ccc(CN2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000113164346 364872933 /nfs/dbraw/zinc/87/29/33/364872933.db2.gz XQUTYOHLTFWAPS-GFCCVEGCSA-N 1 0 252.308 2.245 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1csc(C2CC2)n1 ZINC000113232853 364878119 /nfs/dbraw/zinc/87/81/19/364878119.db2.gz GEPFJSZBEWOPHS-ZYHUDNBSSA-N 1 0 291.420 2.329 10 0 CEAERO C[C@@H]([NH3+])CCC(=O)N1C[C@H](c2ccccc2)OCC1(C)C ZINC000193236449 189637611 /nfs/dbraw/zinc/63/76/11/189637611.db2.gz CXCPCDRNQLTENZ-UKRRQHHQSA-N 1 0 290.407 2.493 10 0 CEAERO Cc1ccc(CNC(=O)[C@H]2CCC[NH2+][C@@H]2C)s1 ZINC000335593711 212306205 /nfs/dbraw/zinc/30/62/05/212306205.db2.gz LJLQPBOWTRBBPP-PWSUYJOCSA-N 1 0 252.383 2.061 10 0 CEAERO CCC[C@H](C(=O)OCC)[NH+]1CCC(Cn2cccn2)CC1 ZINC000114803066 364966209 /nfs/dbraw/zinc/96/62/09/364966209.db2.gz QEVGHZYSKSAAJB-OAHLLOKOSA-N 1 0 293.411 2.327 10 0 CEAERO Cn1cc([C@H]2CC[N@H+](CCc3ccccc3)C2)cn1 ZINC000116310663 365049662 /nfs/dbraw/zinc/04/96/62/365049662.db2.gz CACQNCIDRQDVRL-HNNXBMFYSA-N 1 0 255.365 2.452 10 0 CEAERO C[C@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CCCO1 ZINC000116417975 365054714 /nfs/dbraw/zinc/05/47/14/365054714.db2.gz BXKPGHJWLUXIRN-IHRRRGAJSA-N 1 0 299.459 2.220 10 0 CEAERO CCc1sc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1C ZINC000116796196 365069666 /nfs/dbraw/zinc/06/96/66/365069666.db2.gz RKGHBGGACKOOLM-GFCCVEGCSA-N 1 0 296.436 2.022 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)/C=C/c2ccnc3ccccc23)C1 ZINC000117786553 365125789 /nfs/dbraw/zinc/12/57/89/365125789.db2.gz XWXQIEWGGKWBRR-KIUWMYQTSA-N 1 0 295.386 2.411 10 0 CEAERO [NH3+][C@@H](CCNC(=O)[C@@H]1C[C@H]2C[C@H]2C1)Cc1ccccc1 ZINC000638878279 370815604 /nfs/dbraw/zinc/81/56/04/370815604.db2.gz APLHETYRICGWER-FZKCQIBNSA-N 1 0 272.392 2.109 10 0 CEAERO COC(=O)C[C@@H]1CC2(CC[NH2+]CC2)c2ccccc21 ZINC000096032268 283853267 /nfs/dbraw/zinc/85/32/67/283853267.db2.gz FNRMGNFBNKTIQL-GFCCVEGCSA-N 1 0 259.349 2.358 10 0 CEAERO CCC[C@@H](C(=O)N[C@@H](C)CC(C)(C)OC)[NH+](C)C ZINC000120285924 365401658 /nfs/dbraw/zinc/40/16/58/365401658.db2.gz LTFFDFSAENWEHM-RYUDHWBXSA-N 1 0 258.406 2.037 10 0 CEAERO CN1CCO[C@@H](C[NH2+]Cc2cc[nH]c2)[C@@H]1c1ccccc1 ZINC000583616579 367073308 /nfs/dbraw/zinc/07/33/08/367073308.db2.gz MESCMMPHUVSYCJ-IRXDYDNUSA-N 1 0 285.391 2.176 10 0 CEAERO C[C@H]1CCCN(c2ccnc3cccnc32)[C@@H]1C[NH3+] ZINC000341015980 367133849 /nfs/dbraw/zinc/13/38/49/367133849.db2.gz NGRRVNLWANSXSP-SMDDNHRTSA-N 1 0 256.353 2.193 10 0 CEAERO CCC[C@H](C(=O)NCCc1sc(C)nc1C)[NH+](C)C ZINC000162062895 367134756 /nfs/dbraw/zinc/13/47/56/367134756.db2.gz FMDJDIUFISHVID-GFCCVEGCSA-N 1 0 283.441 2.149 10 0 CEAERO Cn1nc(C2CCCCC2)cc1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000161535916 367093561 /nfs/dbraw/zinc/09/35/61/367093561.db2.gz BKSXYQYSTQFRIE-GFCCVEGCSA-N 1 0 276.384 2.016 10 0 CEAERO O=C([C@@H]1CCn2ccnc2C1)N1CCC[C@H]1c1ccco1 ZINC000161705090 367107665 /nfs/dbraw/zinc/10/76/65/367107665.db2.gz VHGJDPLNIJXBES-OLZOCXBDSA-N 1 0 285.347 2.402 10 0 CEAERO Cc1noc(C)c1[C@@H](C)CC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000245539042 370834494 /nfs/dbraw/zinc/83/44/94/370834494.db2.gz JILOEZTWGXGTFQ-FZMZJTMJSA-N 1 0 291.395 2.092 10 0 CEAERO C[C@H](O)c1ccc2c(c1)[C@@](C)(CC[NH+](C)C)CN2C ZINC000584619116 367173916 /nfs/dbraw/zinc/17/39/16/367173916.db2.gz DZSBARFFOHIDGH-LRDDRELGSA-N 1 0 262.397 2.399 10 0 CEAERO C[C@@H](C[NH2+]CCO)Oc1ccc(C(F)(F)F)cc1 ZINC000584643633 367174649 /nfs/dbraw/zinc/17/46/49/367174649.db2.gz SFBONCRITCGFAL-VIFPVBQESA-N 1 0 263.259 2.055 10 0 CEAERO c1[nH]nc(-c2cccnc2)c1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000245559269 370839069 /nfs/dbraw/zinc/83/90/69/370839069.db2.gz LSJPIZXKEPMUHI-INIZCTEOSA-N 1 0 297.406 2.142 10 0 CEAERO C[C@H]1CN(C(=O)CCC2CCCCC2)C[C@@H]1C[NH3+] ZINC000638884684 370819368 /nfs/dbraw/zinc/81/93/68/370819368.db2.gz IJINVEXTMYXILV-JSGCOSHPSA-N 1 0 252.402 2.400 10 0 CEAERO COc1cc(Cl)ccc1C(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638885618 370819679 /nfs/dbraw/zinc/81/96/79/370819679.db2.gz CZHOUWMCYKXDGI-VHSXEESVSA-N 1 0 282.771 2.015 10 0 CEAERO CCCOc1cccc(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000638886620 370820351 /nfs/dbraw/zinc/82/03/51/370820351.db2.gz AYVWDAMVPXQARY-TZMCWYRMSA-N 1 0 276.380 2.142 10 0 CEAERO Cc1ccc(Cl)c(OCC(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000638886316 370820577 /nfs/dbraw/zinc/82/05/77/370820577.db2.gz QDKDWFMWFBKIKA-VXGBXAGGSA-N 1 0 296.798 2.080 10 0 CEAERO C[C@H]1CN(C(=O)CCSc2ccccc2)C[C@@H]1C[NH3+] ZINC000638887460 370822337 /nfs/dbraw/zinc/82/23/37/370822337.db2.gz VCPDKOGUXPPUOH-STQMWFEESA-N 1 0 278.421 2.222 10 0 CEAERO C[C@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000638888299 370822345 /nfs/dbraw/zinc/82/23/45/370822345.db2.gz XIZAPWOEDSEYTN-GXSJLCMTSA-N 1 0 252.745 2.007 10 0 CEAERO CCC[C@H](C(=O)NCCc1ncc(CC)s1)[NH+](C)C ZINC000162336789 367153319 /nfs/dbraw/zinc/15/33/19/367153319.db2.gz LPMYGDUIEMHPKF-GFCCVEGCSA-N 1 0 283.441 2.095 10 0 CEAERO C[C@H]1CN(C(=O)CCOc2cccc(Cl)c2)C[C@H]1C[NH3+] ZINC000638889173 370823072 /nfs/dbraw/zinc/82/30/72/370823072.db2.gz KEXQBHDPUMYAAQ-NWDGAFQWSA-N 1 0 296.798 2.162 10 0 CEAERO C[C@@H]1CN(C(=O)c2cc(F)c(Cl)cc2F)C[C@@H]1C[NH3+] ZINC000638890867 370824307 /nfs/dbraw/zinc/82/43/07/370824307.db2.gz GEPNTHVGJAJESA-SFYZADRCSA-N 1 0 288.725 2.285 10 0 CEAERO CCc1ccc(CCC(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000638891559 370824786 /nfs/dbraw/zinc/82/47/86/370824786.db2.gz ZZPCRDBKPMDZEM-BBRMVZONSA-N 1 0 274.408 2.235 10 0 CEAERO Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)cc1Cl ZINC000638893303 370825528 /nfs/dbraw/zinc/82/55/28/370825528.db2.gz YLDVVYVKVADFHA-PWSUYJOCSA-N 1 0 266.772 2.315 10 0 CEAERO [NH3+][C@H](CCNC(=O)CC(F)(F)F)Cc1ccccc1 ZINC000638905668 370832369 /nfs/dbraw/zinc/83/23/69/370832369.db2.gz UFGCVSPCWJNGPJ-LLVKDONJSA-N 1 0 274.286 2.015 10 0 CEAERO Cc1cc(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)ccn1 ZINC000245593873 370847518 /nfs/dbraw/zinc/84/75/18/370847518.db2.gz LEBZVWGDEZKOBP-RISCZKNCSA-N 1 0 276.384 2.240 10 0 CEAERO C[C@@H]1CN(Cc2ccc(Br)cn2)C[C@@H]1[NH+](C)C ZINC000168423200 367352922 /nfs/dbraw/zinc/35/29/22/367352922.db2.gz RCWMJGQYOIKYLR-MFKMUULPSA-N 1 0 298.228 2.226 10 0 CEAERO Cc1ccccc1C[C@@H](C)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170831935 367427444 /nfs/dbraw/zinc/42/74/44/367427444.db2.gz BXOHCNPIORTTLX-ZBFHGGJFSA-N 1 0 289.423 2.272 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)N[C@@H]2CCCc3occc32)C1 ZINC000170830509 367427566 /nfs/dbraw/zinc/42/75/66/367427566.db2.gz GELXDBKFDBJXQX-WCQYABFASA-N 1 0 277.368 2.003 10 0 CEAERO C[C@H](Cc1ccccc1F)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170833331 367428065 /nfs/dbraw/zinc/42/80/65/367428065.db2.gz GMUQUNRFSJATGL-TZMCWYRMSA-N 1 0 293.386 2.102 10 0 CEAERO COc1c(C)ccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)c1C ZINC000171076176 367471808 /nfs/dbraw/zinc/47/18/08/367471808.db2.gz RKEPRGQREMPSCC-CYBMUJFWSA-N 1 0 291.395 2.480 10 0 CEAERO CC(C)c1nc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cs1 ZINC000171089933 367476397 /nfs/dbraw/zinc/47/63/97/367476397.db2.gz PPDVEIGRUWTWQE-LLVKDONJSA-N 1 0 279.409 2.187 10 0 CEAERO Cc1ccc(CCC(=O)N2CC[C@H]([NH+](C)C)C2)c(C)c1 ZINC000170857172 367432646 /nfs/dbraw/zinc/43/26/46/367432646.db2.gz XFCCGEICMZOPIS-INIZCTEOSA-N 1 0 274.408 2.399 10 0 CEAERO C[C@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)c1cccs1 ZINC000170863204 367434670 /nfs/dbraw/zinc/43/46/70/367434670.db2.gz LVSGNRJNXGVXQJ-QWRGUYRKSA-N 1 0 267.398 2.155 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)NCc2ccccc2Cl)C1 ZINC000170861728 367434806 /nfs/dbraw/zinc/43/48/06/367434806.db2.gz GUEZAYOJBAGAKX-GFCCVEGCSA-N 1 0 281.787 2.186 10 0 CEAERO Cn1cc([C@H]2CCC[N@@H+]2CCOC(C)(C)C)cn1 ZINC000171410530 367536999 /nfs/dbraw/zinc/53/69/99/367536999.db2.gz ZKTFBZVIQSSVNK-CYBMUJFWSA-N 1 0 251.374 2.372 10 0 CEAERO CCCCOC(=O)CC[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000171504676 367558163 /nfs/dbraw/zinc/55/81/63/367558163.db2.gz SLWBKCRVYFXPIJ-AWEZNQCLSA-N 1 0 279.384 2.290 10 0 CEAERO Cc1ccc(NC(=O)CN2C[C@H](C)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000631843408 367585859 /nfs/dbraw/zinc/58/58/59/367585859.db2.gz NGSFEPLNBLMNDT-RYUDHWBXSA-N 1 0 295.814 2.114 10 0 CEAERO COCCN(CC[NH+](C)C)C(=O)N[C@@H](C)c1cccs1 ZINC000171587031 367573406 /nfs/dbraw/zinc/57/34/06/367573406.db2.gz ZHJAFIUEXDIOLY-LBPRGKRZSA-N 1 0 299.440 2.029 10 0 CEAERO C[C@H]1C[N@H+](Cc2cc(=O)oc3cc(O)ccc23)CCS1 ZINC000171700672 367598230 /nfs/dbraw/zinc/59/82/30/367598230.db2.gz VSEYJKGLJNOXNH-JTQLQIEISA-N 1 0 291.372 2.436 10 0 CEAERO Cc1cc(N(C)C)ccc1NC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000335536875 212234206 /nfs/dbraw/zinc/23/42/06/212234206.db2.gz VVNDWQGLDRSDII-GXTWGEPZSA-N 1 0 275.396 2.388 10 0 CEAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCc1ccoc1 ZINC000171665654 367587528 /nfs/dbraw/zinc/58/75/28/367587528.db2.gz ZNLVJXVEFUHNBK-OAHLLOKOSA-N 1 0 272.348 2.069 10 0 CEAERO CC(=O)c1cccc(NC(=O)[C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000335533849 212229444 /nfs/dbraw/zinc/22/94/44/212229444.db2.gz INAMFDFPHUZCLY-YGRLFVJLSA-N 1 0 260.337 2.216 10 0 CEAERO C[Si](C)(C)C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000171745969 367608738 /nfs/dbraw/zinc/60/87/38/367608738.db2.gz HKROKJBOVDPCSS-UHFFFAOYSA-N 1 0 264.449 2.230 10 0 CEAERO COc1ccccc1/C=C/CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000245765140 370871031 /nfs/dbraw/zinc/87/10/31/370871031.db2.gz QPAGGAXCOZUOQL-RRGWEWPQSA-N 1 0 272.392 2.488 10 0 CEAERO Cc1ccsc1C[N@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000245749990 370868888 /nfs/dbraw/zinc/86/88/88/370868888.db2.gz NQIWAULYWKGEGY-KGLIPLIRSA-N 1 0 280.437 2.209 10 0 CEAERO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CCOCC1CC1 ZINC000172751197 367812978 /nfs/dbraw/zinc/81/29/78/367812978.db2.gz WQKOYJJXANZIHF-ILXRZTDVSA-N 1 0 281.396 2.219 10 0 CEAERO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000245930863 370889877 /nfs/dbraw/zinc/88/98/77/370889877.db2.gz VBHRACCHPMEUOO-UBHSHLNASA-N 1 0 292.427 2.248 10 0 CEAERO COC(C)(C)CNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000173562241 367922559 /nfs/dbraw/zinc/92/25/59/367922559.db2.gz JRZUKEFFGRZOEU-AWEZNQCLSA-N 1 0 293.411 2.014 10 0 CEAERO COc1cncc(CN2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)c1 ZINC000343869011 368049740 /nfs/dbraw/zinc/04/97/40/368049740.db2.gz OVSCVWMBARFYGM-ZFWWWQNUSA-N 1 0 275.396 2.149 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1ccccn1 ZINC000175019007 368091237 /nfs/dbraw/zinc/09/12/37/368091237.db2.gz AJUCVWBEQFHTJF-HZPDHXFCSA-N 1 0 287.407 2.099 10 0 CEAERO C[C@]1(O)CCCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1cc[nH]n1 ZINC000345108336 368155670 /nfs/dbraw/zinc/15/56/70/368155670.db2.gz SIQYEGGKHPENNU-ILXRZTDVSA-N 1 0 263.385 2.315 10 0 CEAERO CSC(C)(C)CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000175517602 368145347 /nfs/dbraw/zinc/14/53/47/368145347.db2.gz QVLUWJGZKRAZGO-CQSZACIVSA-N 1 0 294.464 2.417 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc2c1CCCN2 ZINC000176975494 368255976 /nfs/dbraw/zinc/25/59/76/368255976.db2.gz HPEIYVFBRIPNTN-ZIAGYGMSSA-N 1 0 299.418 2.353 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000177514095 368269489 /nfs/dbraw/zinc/26/94/89/368269489.db2.gz GHOALRULMRAFNM-KBUPBQIOSA-N 1 0 262.397 2.118 10 0 CEAERO CCCC[C@H](COC)NC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000177526427 368269629 /nfs/dbraw/zinc/26/96/29/368269629.db2.gz YIRUTFDWPBIICS-CABCVRRESA-N 1 0 299.459 2.317 10 0 CEAERO CCCC[C@@H](COC)NC(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000177526444 368269844 /nfs/dbraw/zinc/26/98/44/368269844.db2.gz YIRUTFDWPBIICS-LSDHHAIUSA-N 1 0 299.459 2.317 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CCc1ccccc1Cl ZINC000335500777 212182069 /nfs/dbraw/zinc/18/20/69/212182069.db2.gz QAERQGUYWCDFCI-MFKMUULPSA-N 1 0 266.772 2.221 10 0 CEAERO CC(C)(C)OC[C@@H](O)C[NH2+][C@H](CCCO)c1ccccc1 ZINC000179758811 368349901 /nfs/dbraw/zinc/34/99/01/368349901.db2.gz GOUCGRVZLHTVIQ-JKSUJKDBSA-N 1 0 295.423 2.266 10 0 CEAERO O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@H]1CCCC[NH2+]1 ZINC000037042535 284034003 /nfs/dbraw/zinc/03/40/03/284034003.db2.gz NWHPTOOTIGTZEK-HBNTYKKESA-N 1 0 278.318 2.366 10 0 CEAERO CC(C)OC(=O)CC[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000181747665 368490864 /nfs/dbraw/zinc/49/08/64/368490864.db2.gz FSFUSXOALFOHQF-LBPRGKRZSA-N 1 0 293.363 2.450 10 0 CEAERO C[C@@H]([NH2+]CC(=O)N(C)C)[C@H](C)c1nc2ccccc2s1 ZINC000182185055 368532684 /nfs/dbraw/zinc/53/26/84/368532684.db2.gz DJQPWSUFVSWSAU-WDEREUQCSA-N 1 0 291.420 2.466 10 0 CEAERO C[C@@H](C[NH2+]C[C@H](C)N1CCOCC1)Cc1ccccc1 ZINC000182051339 368518922 /nfs/dbraw/zinc/51/89/22/368518922.db2.gz ZQHVLKMKZJZARS-CVEARBPZSA-N 1 0 276.424 2.176 10 0 CEAERO CCOc1ccccc1[C@H](C)[NH2+]C[C@H]1CN(CC)CCO1 ZINC000163902844 541698325 /nfs/dbraw/zinc/69/83/25/541698325.db2.gz PUPBZGXJFQTVGN-GJZGRUSLSA-N 1 0 292.423 2.457 10 0 CEAERO C[C@@H]([NH2+]C[C@H](C)CS(C)(=O)=O)c1cccs1 ZINC000182546928 368566866 /nfs/dbraw/zinc/56/68/66/368566866.db2.gz OXNREWWAFPPOOR-VHSXEESVSA-N 1 0 261.412 2.079 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000246012692 370899831 /nfs/dbraw/zinc/89/98/31/370899831.db2.gz KUHITZIXFREUHV-ILXRZTDVSA-N 1 0 291.370 2.027 10 0 CEAERO c1ccc(-c2nnc(CN3CC[N@@H+]4CCCC[C@H]4C3)o2)cc1 ZINC000246208628 370927562 /nfs/dbraw/zinc/92/75/62/370927562.db2.gz OOOJTVWMIKGPDL-HNNXBMFYSA-N 1 0 298.390 2.407 10 0 CEAERO CC[C@H]1C[N@@H+]([C@@H]2C=CCCC2)CCN1CCOC ZINC000246215665 370929280 /nfs/dbraw/zinc/92/92/80/370929280.db2.gz CIEYKLRKRBGACY-LSDHHAIUSA-N 1 0 252.402 2.138 10 0 CEAERO Cc1cccc(S(=O)(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000246103324 370909608 /nfs/dbraw/zinc/90/96/08/370909608.db2.gz HQPRMTHEZNQLRX-UKRRQHHQSA-N 1 0 296.436 2.002 10 0 CEAERO CCOCCN1CC[N@H+](C[C@H](C)CC)C[C@H]1CC ZINC000246155662 370916896 /nfs/dbraw/zinc/91/68/96/370916896.db2.gz CQRCXUPPPPMWBX-HUUCEWRRSA-N 1 0 256.434 2.465 10 0 CEAERO O[C@H](CN1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1Cl ZINC000185005664 368735390 /nfs/dbraw/zinc/73/53/90/368735390.db2.gz NEMWUQYETXDELX-IUODEOHRSA-N 1 0 298.789 2.293 10 0 CEAERO Cc1ccc(O[C@H](C)CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000246250019 370936016 /nfs/dbraw/zinc/93/60/16/370936016.db2.gz JUHPZWMTIREILY-MGPQQGTHSA-N 1 0 276.380 2.006 10 0 CEAERO COC(=O)c1cc(CN2CC[N@@H+]3CCC[C@H]3C2)c(C)s1 ZINC000246269728 370938260 /nfs/dbraw/zinc/93/82/60/370938260.db2.gz RQGAZNYLWXJTBC-ZDUSSCGKSA-N 1 0 294.420 2.123 10 0 CEAERO O=C(CN1CC[N@@H+]2CCC[C@H]2C1)Nc1cccc(Cl)c1 ZINC000246307087 370945303 /nfs/dbraw/zinc/94/53/03/370945303.db2.gz JOGUAGZZKRAUCJ-AWEZNQCLSA-N 1 0 293.798 2.059 10 0 CEAERO CCC[C@H](C(=O)NC[C@@H](C)c1nc(C)cs1)[NH+](C)C ZINC000186001194 368902659 /nfs/dbraw/zinc/90/26/59/368902659.db2.gz MRTVOJIOWBBRDP-ZYHUDNBSSA-N 1 0 283.441 2.402 10 0 CEAERO O=C(NCCSc1ccccc1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634736236 368849174 /nfs/dbraw/zinc/84/91/74/368849174.db2.gz FRZJYHNCLKCKCJ-BBRMVZONSA-N 1 0 290.432 2.285 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCCS(=O)(=O)CC1)c1cccs1 ZINC000634949797 368983720 /nfs/dbraw/zinc/98/37/20/368983720.db2.gz AFCKHLDYIOANJP-GHMZBOCLSA-N 1 0 273.423 2.366 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]Cc2cccnc2)C12CCOCC2 ZINC000186197977 368936038 /nfs/dbraw/zinc/93/60/38/368936038.db2.gz JGUDEFFBXOQVQZ-LSDHHAIUSA-N 1 0 276.380 2.145 10 0 CEAERO O=S1(=O)CCC[C@H]([NH2+][C@@H]2CCOc3ccccc32)CC1 ZINC000634950328 368984590 /nfs/dbraw/zinc/98/45/90/368984590.db2.gz PHWZZCILBFDUID-GXTWGEPZSA-N 1 0 295.404 2.067 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[C@@H]1CCC[C@@H](C)C1 ZINC000226872004 189778932 /nfs/dbraw/zinc/77/89/32/189778932.db2.gz 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CC(C)(C)OC[C@H](O)C[NH2+]CCc1cccc(F)c1 ZINC000037891812 184542933 /nfs/dbraw/zinc/54/29/33/184542933.db2.gz XYHGOCYAFYYGNA-CQSZACIVSA-N 1 0 269.360 2.134 10 0 CEAERO [NH3+]CCCCCCC(=O)NCCCOCc1ccco1 ZINC000040826544 184549731 /nfs/dbraw/zinc/54/97/31/184549731.db2.gz CWVSAGJQLUSDOG-UHFFFAOYSA-N 1 0 282.384 2.212 10 0 CEAERO C[C@H](C1CC1)N(C)c1nc2c(cc1C(N)=[NH2+])CCCC2 ZINC000043410414 184559346 /nfs/dbraw/zinc/55/93/46/184559346.db2.gz AURIUCQFIKMPQE-SNVBAGLBSA-N 1 0 272.396 2.479 10 0 CEAERO COc1cccc([C@@H]([NH3+])CSc2nccn2C)c1 ZINC000081840598 184597045 /nfs/dbraw/zinc/59/70/45/184597045.db2.gz GHNAROGJMKJWOA-LBPRGKRZSA-N 1 0 263.366 2.221 10 0 CEAERO CC[NH2+][C@@H](CSc1nnc2n1CCCCC2)C1CC1 ZINC000081865837 184598197 /nfs/dbraw/zinc/59/81/97/184598197.db2.gz UPRJNNIEIFUZLP-LBPRGKRZSA-N 1 0 280.441 2.485 10 0 CEAERO Cc1sc(C[NH3+])cc1S(=O)(=O)N1CCCCCC1 ZINC000088913520 184614330 /nfs/dbraw/zinc/61/43/30/184614330.db2.gz SDFVSBNKHNGKIC-UHFFFAOYSA-N 1 0 288.438 2.080 10 0 CEAERO CCC[NH2+]Cc1ccc(CS(=O)(=O)N(C)C(C)C)cc1 ZINC000088917319 184614567 /nfs/dbraw/zinc/61/45/67/184614567.db2.gz BHRZFWBJAMOCPZ-UHFFFAOYSA-N 1 0 298.452 2.356 10 0 CEAERO CCC[NH2+]CCc1ccc(S(=O)(=O)N(C)C(C)C)cc1 ZINC000088916975 184614621 /nfs/dbraw/zinc/61/46/21/184614621.db2.gz KJAAVCUVSNRQMI-UHFFFAOYSA-N 1 0 298.452 2.258 10 0 CEAERO CC[C@H](C)CN(C)S(=O)(=O)c1cccc(C[NH2+]C)c1C ZINC000088953688 184615669 /nfs/dbraw/zinc/61/56/69/184615669.db2.gz YFDWSEPLNQYRLA-LBPRGKRZSA-N 1 0 298.452 2.381 10 0 CEAERO Cc1cc(C)c(C(=O)NC[C@H]2CCC[C@@H]2[NH3+])c(C)c1 ZINC000089166616 184615927 /nfs/dbraw/zinc/61/59/27/184615927.db2.gz VWWPNZGVAMWFMR-KGLIPLIRSA-N 1 0 260.381 2.469 10 0 CEAERO C[C@H]1CCCN(C(=O)OCC[C@@H]2CCC[NH2+]C2)C1 ZINC000092743585 184624432 /nfs/dbraw/zinc/62/44/32/184624432.db2.gz HZLZHKUZHWAZML-STQMWFEESA-N 1 0 254.374 2.245 10 0 CEAERO COCC[NH2+]C[C@@H]1CCO[C@@H]1c1ccc(OC)c(OC)c1 ZINC000092881793 184633730 /nfs/dbraw/zinc/63/37/30/184633730.db2.gz NLIAQIHLHMFSKE-XJKSGUPXSA-N 1 0 295.379 2.017 10 0 CEAERO C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(F)c(F)c1F ZINC000092949974 184636532 /nfs/dbraw/zinc/63/65/32/184636532.db2.gz DCZMOGXKHJLVMO-RNFRBKRXSA-N 1 0 258.243 2.040 10 0 CEAERO CCOC(=O)c1cc(C)sc1NC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000092956954 184637788 /nfs/dbraw/zinc/63/77/88/184637788.db2.gz PRQNZGXEQWUQRJ-ZJUUUORDSA-N 1 0 296.392 2.170 10 0 CEAERO Cc1ccccc1[C@@H](CCS(C)(=O)=O)C[NH2+]C1CC1 ZINC000093106627 184649950 /nfs/dbraw/zinc/64/99/50/184649950.db2.gz ZVMHRSKQXWUFKM-ZDUSSCGKSA-N 1 0 281.421 2.265 10 0 CEAERO CCN(CC)C(=O)c1cc(O[C@@H]2CCC[C@H]([NH3+])C2)ccn1 ZINC000093220265 184656483 /nfs/dbraw/zinc/65/64/83/184656483.db2.gz KOVZNMSIRRYKSU-QWHCGFSZSA-N 1 0 291.395 2.212 10 0 CEAERO CCC[NH2+][C@H](CN1CCOCC1=O)c1cc(C)ccc1C ZINC000093225423 184656748 /nfs/dbraw/zinc/65/67/48/184656748.db2.gz VAKQFCGQRCIXBJ-MRXNPFEDSA-N 1 0 290.407 2.203 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H](Oc2cc3ccccc3c(=O)[nH]2)C1 ZINC000093220187 184656940 /nfs/dbraw/zinc/65/69/40/184656940.db2.gz NZCNKLDGBNFJNI-VXGBXAGGSA-N 1 0 258.321 2.177 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccn(C)c1C ZINC000195290344 542365531 /nfs/dbraw/zinc/36/55/31/542365531.db2.gz CPIFUFXPGHLZFC-UONOGXRCSA-N 1 0 275.396 2.032 10 0 CEAERO CCOc1ccc([C@@]2(C)CNC(=[NH2+])N2C(C)C)cc1 ZINC000093374228 184668064 /nfs/dbraw/zinc/66/80/64/184668064.db2.gz SIUOHZIBVYZELW-OAHLLOKOSA-N 1 0 261.369 2.339 10 0 CEAERO CC[C@]1(COC)C[NH+]=C(N)N1c1cccc(Cl)c1 ZINC000093378819 184668905 /nfs/dbraw/zinc/66/89/05/184668905.db2.gz BZKABHMVODZVEO-CYBMUJFWSA-N 1 0 267.760 2.270 10 0 CEAERO CC[C@@H]1C[C@]2(C[NH+]=C(N)N2c2cccc(C)c2)CCO1 ZINC000093379835 184668940 /nfs/dbraw/zinc/66/89/40/184668940.db2.gz DLFLRCLQEBMPCL-ZBFHGGJFSA-N 1 0 273.380 2.458 10 0 CEAERO C[C@@]1(c2c(F)cccc2F)CNC(=[NH2+])N1CC1CC1 ZINC000093393965 184670822 /nfs/dbraw/zinc/67/08/22/184670822.db2.gz RXRZESLCICRXKF-AWEZNQCLSA-N 1 0 265.307 2.220 10 0 CEAERO NC(=[NH2+])c1c(F)cccc1-n1ncc2ccccc21 ZINC000093409039 184671923 /nfs/dbraw/zinc/67/19/23/184671923.db2.gz AZBUSAVONIBDDQ-UHFFFAOYSA-N 1 0 254.268 2.449 10 0 CEAERO O=c1[nH]c2ccc(N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2[nH]1 ZINC000093451157 184676616 /nfs/dbraw/zinc/67/66/16/184676616.db2.gz AXJQIHXIVDGOCS-FRRDWIJNSA-N 1 0 286.379 2.189 10 0 CEAERO O=C1CCC[C@H]1[C@@H]1CCC[N@@H+]1CCc1ccccn1 ZINC000093450562 184676680 /nfs/dbraw/zinc/67/66/80/184676680.db2.gz NDFGSOXEINXTLV-GJZGRUSLSA-N 1 0 258.365 2.458 10 0 CEAERO CNC(=O)Nc1ccc(N[C@H](C)C[C@H]2CCC[NH2+]2)cc1 ZINC000093464716 184678587 /nfs/dbraw/zinc/67/85/87/184678587.db2.gz QNHCNPQECZLDOF-BXUZGUMPSA-N 1 0 276.384 2.380 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cccc(OC)n1 ZINC000175334242 285274040 /nfs/dbraw/zinc/27/40/40/285274040.db2.gz QTNWWJGNVLXRLX-AWEZNQCLSA-N 1 0 263.385 2.006 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2CC[C@H]1S(=O)(=O)CC(C)C ZINC000081928582 177899884 /nfs/dbraw/zinc/89/98/84/177899884.db2.gz ZMPZEQXMLBDJSY-HUUCEWRRSA-N 1 0 281.421 2.333 10 0 CEAERO CC[NH2+][C@H](C)CCCS(=O)(=O)c1cccs1 ZINC000081926967 177899277 /nfs/dbraw/zinc/89/92/77/177899277.db2.gz VJDVCSFVGXXAGH-SNVBAGLBSA-N 1 0 261.412 2.300 10 0 CEAERO CCC[NH2+][C@H]1CC[C@@H](CC)C[C@@H]1S(=O)(=O)CC ZINC000081925507 177898177 /nfs/dbraw/zinc/89/81/77/177898177.db2.gz VZMKMTLROPNRMB-AGIUHOORSA-N 1 0 261.431 2.368 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](C)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000081921733 177895177 /nfs/dbraw/zinc/89/51/77/177895177.db2.gz JYCPCVVODLJDIQ-DGCLKSJQSA-N 1 0 255.383 2.203 10 0 CEAERO C[NH2+][C@H]1c2ccccc2OC[C@H]1Sc1cnccn1 ZINC000081885742 177877298 /nfs/dbraw/zinc/87/72/98/177877298.db2.gz CUIQCSOANQWWRC-OCCSQVGLSA-N 1 0 273.361 2.290 10 0 CEAERO Cc1ccc([C@H]([NH3+])CSc2n[nH]c(=O)n2C2CC2)cc1 ZINC000081880083 177873911 /nfs/dbraw/zinc/87/39/11/177873911.db2.gz UBQICWRWWQCVKU-GFCCVEGCSA-N 1 0 290.392 2.007 10 0 CEAERO CC[C@H]1CC[C@@H]([NH2+]C)[C@H](Sc2n[nH]c(=O)n2C2CC2)C1 ZINC000081880058 177873727 /nfs/dbraw/zinc/87/37/27/177873727.db2.gz FCBRNVGTDBHRAL-MVWJERBFSA-N 1 0 296.440 2.165 10 0 CEAERO [NH3+][C@@H]1c2ccccc2CC[C@H]1Sc1nnnn1C1CC1 ZINC000081867632 177867923 /nfs/dbraw/zinc/86/79/23/177867923.db2.gz MFADOXPKHISTAL-CHWSQXEVSA-N 1 0 287.392 2.115 10 0 CEAERO CC[C@H](Sc1nncn1C)[C@@H]([NH3+])c1ccccc1 ZINC000081867292 177867227 /nfs/dbraw/zinc/86/72/27/177867227.db2.gz AQKHFAPQLKJURP-RYUDHWBXSA-N 1 0 262.382 2.386 10 0 CEAERO CCC[NH2+][C@@H](C)CCSc1nnc(N(C)C)s1 ZINC000081769582 177856592 /nfs/dbraw/zinc/85/65/92/177856592.db2.gz AKKHPWIYOBGZNR-VIFPVBQESA-N 1 0 274.459 2.474 10 0 CEAERO [NH3+]C1CCC(Nc2nccc(C(F)(F)F)n2)CC1 ZINC000081586324 177824565 /nfs/dbraw/zinc/82/45/65/177824565.db2.gz UTVDGQMZSPEENX-UHFFFAOYSA-N 1 0 260.263 2.177 10 0 CEAERO CCC[C@@](C)(C[NH2+]CC(C)C)CN1CCn2cnnc2C1 ZINC000081541629 177813044 /nfs/dbraw/zinc/81/30/44/177813044.db2.gz WCLBPIFOVKNROS-INIZCTEOSA-N 1 0 293.459 2.146 10 0 CEAERO Nc1ncccc1C[C@@H]([NH3+])Cc1ccc(F)cc1F ZINC000080966431 177742301 /nfs/dbraw/zinc/74/23/01/177742301.db2.gz SNRMZJNJXLEXPG-LBPRGKRZSA-N 1 0 263.291 2.055 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1c1nc(Cc2ccc(F)cc2F)no1 ZINC000080961472 177741079 /nfs/dbraw/zinc/74/10/79/177741079.db2.gz MBPIHNSFUPURHS-KCJUWKMLSA-N 1 0 279.290 2.262 10 0 CEAERO CCCC[C@@H](CC)COC[C@@H](O)C[NH2+][C@@](C)(CC)CO ZINC000080886757 177724148 /nfs/dbraw/zinc/72/41/48/177724148.db2.gz USEQLMMKYWEEPY-PMPSAXMXSA-N 1 0 289.460 2.331 10 0 CEAERO CCOC(=O)C[C@@]1([NH+]2CCCCC2)CCN(C2CC2)C1 ZINC000080691965 177692686 /nfs/dbraw/zinc/69/26/86/177692686.db2.gz GVHHSILAULMMRK-INIZCTEOSA-N 1 0 280.412 2.032 10 0 CEAERO CNC(=O)CCn1ccc2c1cccc2C[NH2+]C1CC1 ZINC000080337163 177643528 /nfs/dbraw/zinc/64/35/28/177643528.db2.gz XNBIUJXPVMFFFY-UHFFFAOYSA-N 1 0 271.364 2.029 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)N[C@@H](CC)c1nccs1 ZINC000080268935 177634156 /nfs/dbraw/zinc/63/41/56/177634156.db2.gz MOGLEGRMRDTTIV-ZJUUUORDSA-N 1 0 255.387 2.099 10 0 CEAERO CCC[NH2+][C@H]1CCN([C@H](C)c2nc(C)cs2)C1=O ZINC000080314837 177639350 /nfs/dbraw/zinc/63/93/50/177639350.db2.gz AVKCNXHUFHIUCJ-MNOVXSKESA-N 1 0 267.398 2.113 10 0 CEAERO CCC[NH2+][C@]1(CO)CCC[C@@H]1CCOCCOCCC ZINC000093619457 184697391 /nfs/dbraw/zinc/69/73/91/184697391.db2.gz WQVZREKWQASWEX-CVEARBPZSA-N 1 0 287.444 2.351 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1CCS(=O)(=O)c1ccc(F)cc1F ZINC000093623270 184697734 /nfs/dbraw/zinc/69/77/34/184697734.db2.gz JYLOUTULWJSYBP-BXKDBHETSA-N 1 0 289.347 2.256 10 0 CEAERO CC[NH2+][C@@]1(CO)CCC[C@H]1CCSc1cnn(C)c1 ZINC000093623242 184697785 /nfs/dbraw/zinc/69/77/85/184697785.db2.gz LTFLGGFAIFKPEU-GXTWGEPZSA-N 1 0 283.441 2.043 10 0 CEAERO NC(=O)[C@@]1([NH3+])CCC[C@H]1CCSc1ccccc1 ZINC000093628552 184698594 /nfs/dbraw/zinc/69/85/94/184698594.db2.gz ZQWAVNLKXMYYDY-SMDDNHRTSA-N 1 0 264.394 2.152 10 0 CEAERO Cc1c([C@@H]2CC[NH2+][C@H]2Cc2ccccc2)cnn1C ZINC000093652201 184702763 /nfs/dbraw/zinc/70/27/63/184702763.db2.gz BLGFKCIXMPXQTB-HOCLYGCPSA-N 1 0 255.365 2.417 10 0 CEAERO C[NH2+][C@H](C)c1sc(-c2cnn(C)c2C)nc1C ZINC000093652037 184702876 /nfs/dbraw/zinc/70/28/76/184702876.db2.gz QKZWDQSRDWPUBU-SSDOTTSWSA-N 1 0 250.371 2.441 10 0 CEAERO C[NH2+][C@@H](Cc1ccn(C2CCCC2)n1)[C@H](C)OC ZINC000093690172 184707408 /nfs/dbraw/zinc/70/74/08/184707408.db2.gz KTJSAYBEPBXYHY-FZMZJTMJSA-N 1 0 251.374 2.164 10 0 CEAERO OC[C@@]1([NH2+]C2CC2)CCC[C@@H](n2cc(Cl)cn2)C1 ZINC000093784205 184720935 /nfs/dbraw/zinc/72/09/35/184720935.db2.gz KFVUKOXFFNMPLQ-CHWSQXEVSA-N 1 0 269.776 2.135 10 0 CEAERO CCCCOCCO[C@@H]1CCC[C@](CO)([NH2+]CC)C1 ZINC000093784859 184721894 /nfs/dbraw/zinc/72/18/94/184721894.db2.gz BWFOGCWCMKLEGA-CABCVRRESA-N 1 0 273.417 2.103 10 0 CEAERO CC(C)[NH2+][C@@]1(CO)CCC[C@H](Sc2ccncn2)C1 ZINC000093786294 184721913 /nfs/dbraw/zinc/72/19/13/184721913.db2.gz PXIATAVPALNMMP-JSGCOSHPSA-N 1 0 281.425 2.240 10 0 CEAERO CCCCOCCO[C@H]1CCC[C@](CO)([NH2+]CC)C1 ZINC000093784860 184722049 /nfs/dbraw/zinc/72/20/49/184722049.db2.gz BWFOGCWCMKLEGA-GJZGRUSLSA-N 1 0 273.417 2.103 10 0 CEAERO CC[NH2+][C@H](Cc1cccc(F)c1)[C@H]1CN(CC)CCO1 ZINC000093914568 184741310 /nfs/dbraw/zinc/74/13/10/184741310.db2.gz GRSIENCBABMNFF-HZPDHXFCSA-N 1 0 280.387 2.067 10 0 CEAERO C[NH2+][C@H](c1ccsc1)[C@@H]1CN(C(C)C)CCO1 ZINC000093926832 184744259 /nfs/dbraw/zinc/74/42/59/184744259.db2.gz YJILJWBAGGPFLS-QWHCGFSZSA-N 1 0 254.399 2.118 10 0 CEAERO CCCc1ccc([C@@H](CSC[C@H](O)CO)[NH2+]CC)cc1 ZINC000093962102 184746368 /nfs/dbraw/zinc/74/63/68/184746368.db2.gz QXACNCZMAHLIBP-HZPDHXFCSA-N 1 0 297.464 2.376 10 0 CEAERO CC1(C)C([NH3+])C(C)(C)C1NC(=O)C[C@@H]1C=CCC1 ZINC000094006086 184748889 /nfs/dbraw/zinc/74/88/89/184748889.db2.gz GPBGWQKPVKYZKW-QFWMXSHPSA-N 1 0 250.386 2.221 10 0 CEAERO O=C(c1cccs1)N(CC1CC[NH2+]CC1)C1CC1 ZINC000094023470 184751240 /nfs/dbraw/zinc/75/12/40/184751240.db2.gz ZCFFCKYMLSPFAG-UHFFFAOYSA-N 1 0 264.394 2.352 10 0 CEAERO CN(CC1CC[NH2+]CC1)c1ncnc2ccsc21 ZINC000094043086 184751793 /nfs/dbraw/zinc/75/17/93/184751793.db2.gz MXCMIFAJXWQNJX-UHFFFAOYSA-N 1 0 262.382 2.127 10 0 CEAERO C[NH2+][C@H]1CCC[C@H]1c1nc(-c2ccc(F)cn2)no1 ZINC000094051292 184752467 /nfs/dbraw/zinc/75/24/67/184752467.db2.gz DJSKPQUKHXMUEP-ZJUUUORDSA-N 1 0 262.288 2.126 10 0 CEAERO Cc1nc(C[C@@H]([NH3+])Cc2nc3ccccc3n2C)cs1 ZINC000094171155 184759420 /nfs/dbraw/zinc/75/94/20/184759420.db2.gz SBDOFJOUAXNDLP-LLVKDONJSA-N 1 0 286.404 2.451 10 0 CEAERO C[NH2+][C@H](c1c(OC)cc(OC)cc1OC)[C@H]1CCO[C@@H]1C ZINC000094176128 184759811 /nfs/dbraw/zinc/75/98/11/184759811.db2.gz IMZASUIQSOIKSP-XAGWURHQSA-N 1 0 295.379 2.398 10 0 CEAERO CC[C@]1(C)CN(c2ccn(C)n2)[C@H](C(C)C)C[NH2+]1 ZINC000094198011 184762330 /nfs/dbraw/zinc/76/23/30/184762330.db2.gz PJCIUSPZVXYOPO-GXTWGEPZSA-N 1 0 250.390 2.023 10 0 CEAERO CCOC(=O)CCCCCOc1ccc(CC[NH3+])nc1 ZINC000094215257 184763788 /nfs/dbraw/zinc/76/37/88/184763788.db2.gz PQFSYQBETMEGKA-UHFFFAOYSA-N 1 0 280.368 2.085 10 0 CEAERO CC1(C)CCC[C@H](Sc2nnnn2C2CC2)[C@H]1[NH3+] ZINC000094283495 184774878 /nfs/dbraw/zinc/77/48/78/184774878.db2.gz STEKHCWGIDJXRC-VHSXEESVSA-N 1 0 267.402 2.006 10 0 CEAERO CCc1cc(C[C@@]2(C[NH3+])CCC(C)(C)[C@@H]2O)n(CC)n1 ZINC000094314768 184779160 /nfs/dbraw/zinc/77/91/60/184779160.db2.gz XRDZAFWVAKNIPL-GOEBONIOSA-N 1 0 279.428 2.134 10 0 CEAERO CC(C)C[NH2+]Cc1cc(F)c(O[C@@H]2CCOC2=O)c(F)c1 ZINC000094348054 184786924 /nfs/dbraw/zinc/78/69/24/184786924.db2.gz TVNSMEAOUDVDNF-CYBMUJFWSA-N 1 0 299.317 2.405 10 0 CEAERO CN(c1cccc(C[NH3+])c1)[C@H]1CCOC2(CCOCC2)C1 ZINC000094364625 184789952 /nfs/dbraw/zinc/78/99/52/184789952.db2.gz YKJSSLNJQUHKGF-INIZCTEOSA-N 1 0 290.407 2.310 10 0 CEAERO C[NH2+][C@@H](C1CCC1)[C@H]1CCOC2(CCOCC2)C1 ZINC000094403797 184793283 /nfs/dbraw/zinc/79/32/83/184793283.db2.gz PWOUTOQPRRSBHU-KBPBESRZSA-N 1 0 253.386 2.350 10 0 CEAERO CCCOC[C@H]([NH3+])[C@H]1CCOC2(CCSCC2)C1 ZINC000094401219 184793532 /nfs/dbraw/zinc/79/35/32/184793532.db2.gz RNTREEAAEAAMMU-STQMWFEESA-N 1 0 273.442 2.433 10 0 CEAERO C[NH2+][C@@H](C)c1cnn([C@H]2CCOC3(CCOCC3)C2)c1 ZINC000094412624 184794313 /nfs/dbraw/zinc/79/43/13/184794313.db2.gz PIXASXDGACUEGD-JSGCOSHPSA-N 1 0 279.384 2.064 10 0 CEAERO CCC[NH2+]Cc1ncnn1[C@@H]1CCOC2(CCC2)C1 ZINC000094412800 184794667 /nfs/dbraw/zinc/79/46/67/184794667.db2.gz OPMBJVBLJHGCCI-GFCCVEGCSA-N 1 0 264.373 2.052 10 0 CEAERO C[NH2+]CC[C@@](C)(O)[C@@H]1CCOC2(CCCCC2)C1 ZINC000094418610 184794880 /nfs/dbraw/zinc/79/48/80/184794880.db2.gz TVRMFAYUKNEQNV-ZIAGYGMSSA-N 1 0 255.402 2.476 10 0 CEAERO CCC[NH2+]CC[C@](C)(O)[C@H]1CCOC2(CCOCC2)C1 ZINC000094418676 184794933 /nfs/dbraw/zinc/79/49/33/184794933.db2.gz OTNFDQPWCQPKGU-GJZGRUSLSA-N 1 0 285.428 2.103 10 0 CEAERO C[NH2+]CC[C@](C)(O)[C@H]1CCOC2(CCCCC2)C1 ZINC000094418613 184795292 /nfs/dbraw/zinc/79/52/92/184795292.db2.gz TVRMFAYUKNEQNV-KBPBESRZSA-N 1 0 255.402 2.476 10 0 CEAERO C[N@H+](C[C@@H]1C(=O)C(C)(C)OC1(C)C)CC1CCOCC1 ZINC000094429571 184797134 /nfs/dbraw/zinc/79/71/34/184797134.db2.gz QAVPGKXUDVMQDW-CYBMUJFWSA-N 1 0 283.412 2.118 10 0 CEAERO COCCN(C(=O)[C@@H]1CCCCC[C@@H]1[NH3+])[C@H](C)C1CC1 ZINC000094751548 184853283 /nfs/dbraw/zinc/85/32/83/184853283.db2.gz FCBMPGXHFVQASH-YUELXQCFSA-N 1 0 282.428 2.168 10 0 CEAERO C[C@]1(c2nc(-c3ccc(Cl)cn3)no2)CC[NH2+]C1 ZINC000094842299 184879487 /nfs/dbraw/zinc/87/94/87/184879487.db2.gz GDKSPWXGUPDQTQ-LBPRGKRZSA-N 1 0 264.716 2.036 10 0 CEAERO CC(C)(C)[NH2+]Cc1cncn1C[C@@]1(C)CCCO1 ZINC000094815395 184873147 /nfs/dbraw/zinc/87/31/47/184873147.db2.gz DNKATJCAXVUQGF-CQSZACIVSA-N 1 0 251.374 2.340 10 0 CEAERO COCC[NH2+]CC[C@@](C)(O)c1cccc(OC(C)C)c1 ZINC000094836336 184877727 /nfs/dbraw/zinc/87/77/27/184877727.db2.gz ARQQAGFDXIEXMO-MRXNPFEDSA-N 1 0 281.396 2.307 10 0 CEAERO C[C@H]1C[C@@](C[NH3+])(N(C)c2ccccc2F)CS1 ZINC000094473589 184807137 /nfs/dbraw/zinc/80/71/37/184807137.db2.gz CKQHZLFJEQKXBY-GWCFXTLKSA-N 1 0 254.374 2.485 10 0 CEAERO Cn1nc(C[C@@H]([NH3+])[C@H]2CSCCS2)c2ccccc21 ZINC000094497386 184810663 /nfs/dbraw/zinc/81/06/63/184810663.db2.gz JGBNMRWBFKEWCC-BXUZGUMPSA-N 1 0 293.461 2.292 10 0 CEAERO Cn1nc(C[C@@H]([NH3+])[C@@H]2CSCCS2)c2ccccc21 ZINC000094497384 184810740 /nfs/dbraw/zinc/81/07/40/184810740.db2.gz JGBNMRWBFKEWCC-RISCZKNCSA-N 1 0 293.461 2.292 10 0 CEAERO CC[C@H](CC[NH3+])CCc1nc([C@@H]2CSCCO2)no1 ZINC000094502196 184810949 /nfs/dbraw/zinc/81/09/49/184810949.db2.gz UDMFSYAVBXIVSK-QWRGUYRKSA-N 1 0 285.413 2.182 10 0 CEAERO [NH3+]CCc1cccc(-c2nc([C@H]3CSCCO3)no2)c1 ZINC000094501823 184811122 /nfs/dbraw/zinc/81/11/22/184811122.db2.gz OZMMDNSAALHJGP-GFCCVEGCSA-N 1 0 291.376 2.042 10 0 CEAERO CCn1nc(C[C@H]([NH3+])[C@H]2CSCCO2)c2ccccc21 ZINC000094502682 184811667 /nfs/dbraw/zinc/81/16/67/184811667.db2.gz DUJSLUGYQWLZHB-SWLSCSKDSA-N 1 0 291.420 2.058 10 0 CEAERO C[NH2+]C[C@@H]1OCCN(C)[C@@H]1c1ccc(C2CC2)cc1 ZINC000094524914 184813948 /nfs/dbraw/zinc/81/39/48/184813948.db2.gz PBZYNZOIZYXQCS-JKSUJKDBSA-N 1 0 260.381 2.155 10 0 CEAERO C[C@@H]1C[C@@H]([NH3+])CN(C(=O)Cc2cccc(Cl)c2)C1 ZINC000094548980 184815725 /nfs/dbraw/zinc/81/57/25/184815725.db2.gz BRVSLIVIIVMDNM-ZWNOBZJWSA-N 1 0 266.772 2.078 10 0 CEAERO [NH3+]C[C@H]1CC[C@H](c2nc(Cc3cccc(Cl)c3)no2)O1 ZINC000094560792 184818091 /nfs/dbraw/zinc/81/80/91/184818091.db2.gz UJBYDBNDYQJGJP-VXGBXAGGSA-N 1 0 293.754 2.493 10 0 CEAERO [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2ccccc2C(F)(F)F)O1 ZINC000094562947 184818371 /nfs/dbraw/zinc/81/83/71/184818371.db2.gz YLVOJVJJVKWQQQ-KCJUWKMLSA-N 1 0 288.269 2.150 10 0 CEAERO C[C@H](NC(=O)c1ccc(C[NH3+])o1)c1ccc(F)cc1 ZINC000094570046 184820091 /nfs/dbraw/zinc/82/00/91/184820091.db2.gz YORFGFDZEJEEOQ-VIFPVBQESA-N 1 0 262.284 2.368 10 0 CEAERO Cc1cccc(Cl)c1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000094573070 184821353 /nfs/dbraw/zinc/82/13/53/184821353.db2.gz UOMYADDQXMXAGJ-KOLCDFICSA-N 1 0 268.744 2.093 10 0 CEAERO CCc1ccc(O)c(NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000094575250 184821576 /nfs/dbraw/zinc/82/15/76/184821576.db2.gz PYIUMZFJETXEPM-NEPJUHHUSA-N 1 0 262.353 2.411 10 0 CEAERO COCC[NH2+][C@H](C)[C@H](C)Cc1nc2ccccc2n1C ZINC000094656224 184835856 /nfs/dbraw/zinc/83/58/56/184835856.db2.gz QKTAFTSFKVRRKA-CHWSQXEVSA-N 1 0 275.396 2.376 10 0 CEAERO C[C@@H]1C[NH2+]C2(CCCC2)CN1Cc1ccc(O)cc1 ZINC000094690216 184840068 /nfs/dbraw/zinc/84/00/68/184840068.db2.gz LIXONCRSOJTIFE-CYBMUJFWSA-N 1 0 260.381 2.499 10 0 CEAERO Cc1cccc(OCCN(C)C(=O)[C@H](C[NH3+])CC(C)C)c1 ZINC000094698757 184842762 /nfs/dbraw/zinc/84/27/62/184842762.db2.gz OZSGMVFAMVIKET-HNNXBMFYSA-N 1 0 292.423 2.453 10 0 CEAERO C[C@H](NC(=O)Cc1cccc(F)c1F)[C@@H]1CCCC[NH2+]1 ZINC000094712161 184845368 /nfs/dbraw/zinc/84/53/68/184845368.db2.gz ZBBLVRPKNNVMAK-GWCFXTLKSA-N 1 0 282.334 2.154 10 0 CEAERO CCC[NH2+][C@@H](Cc1nc(C)c(C)s1)[C@H]1CN(C)CCO1 ZINC000094974447 184909440 /nfs/dbraw/zinc/90/94/40/184909440.db2.gz WYQUNEVCIIMACW-UONOGXRCSA-N 1 0 297.468 2.001 10 0 CEAERO Cc1csc(CN2C[C@H](C)[NH2+]C[C@@]2(C)C2CC2)n1 ZINC000094979422 184909907 /nfs/dbraw/zinc/90/99/07/184909907.db2.gz DQPLDULRQWIUCW-HZMBPMFUSA-N 1 0 265.426 2.414 10 0 CEAERO C[NH2+][C@H](C)c1ccnc(N(C)Cc2cccnc2)c1 ZINC000094998304 184911907 /nfs/dbraw/zinc/91/19/07/184911907.db2.gz FHLGRGGDBQCGRE-GFCCVEGCSA-N 1 0 256.353 2.393 10 0 CEAERO C[NH2+][C@H](C)c1ccnc(N(C)Cc2ccccn2)c1 ZINC000094998320 184912326 /nfs/dbraw/zinc/91/23/26/184912326.db2.gz LNHZBFPODCJTLT-GFCCVEGCSA-N 1 0 256.353 2.393 10 0 CEAERO CCCN(C(=O)C[C@@H](C)COC)C1CCC([NH3+])CC1 ZINC000095037153 184920293 /nfs/dbraw/zinc/92/02/93/184920293.db2.gz PHJRVNQPXDBJPI-IYXRBSQSSA-N 1 0 270.417 2.168 10 0 CEAERO [NH3+][C@H]1CCCCC[C@@H]1NC(=O)Cc1ccc(F)cc1F ZINC000095067633 184929984 /nfs/dbraw/zinc/92/99/84/184929984.db2.gz OEESIBUKLPNSJW-KBPBESRZSA-N 1 0 282.334 2.284 10 0 CEAERO CSc1nccc(OCCC[C@H]2CCC[NH2+]C2)n1 ZINC000095071884 184933536 /nfs/dbraw/zinc/93/35/36/184933536.db2.gz DPVLIXNLWALCPI-LLVKDONJSA-N 1 0 267.398 2.357 10 0 CEAERO c1cnc2[nH]c(OCCC[C@H]3CCCC[NH2+]3)nc2c1 ZINC000095092558 184941981 /nfs/dbraw/zinc/94/19/81/184941981.db2.gz UEMNCRLLCPONGX-LLVKDONJSA-N 1 0 260.341 2.259 10 0 CEAERO CCC[NH2+]Cc1cc(=O)[nH]c(-c2cscc2C)n1 ZINC000094865134 184884094 /nfs/dbraw/zinc/88/40/94/184884094.db2.gz CLJVFSFQKCWAGT-UHFFFAOYSA-N 1 0 263.366 2.306 10 0 CEAERO Cc1cscc1CNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000094877377 184886127 /nfs/dbraw/zinc/88/61/27/184886127.db2.gz QNSLTJNIDKSKTO-LBPRGKRZSA-N 1 0 264.394 2.062 10 0 CEAERO c1nc2c(c(NC[C@@H]3CCC[NH2+]C3)n1)CCCCC2 ZINC000094888083 184888304 /nfs/dbraw/zinc/88/83/04/184888304.db2.gz YUWRQYRNZDYXRP-GFCCVEGCSA-N 1 0 260.385 2.157 10 0 CEAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)C1(CC)CCCC1 ZINC000094906225 184891075 /nfs/dbraw/zinc/89/10/75/184891075.db2.gz PWXZWKCRLXGIBQ-MGPQQGTHSA-N 1 0 264.413 2.413 10 0 CEAERO CCN(Cc1cccc(C)n1)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000094914689 184891799 /nfs/dbraw/zinc/89/17/99/184891799.db2.gz YSLNIAXYYVUWHH-ZIAGYGMSSA-N 1 0 275.396 2.256 10 0 CEAERO Cc1ccc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2[NH3+])c(F)c1 ZINC000094925432 184895184 /nfs/dbraw/zinc/89/51/84/184895184.db2.gz AMCNVOWHOZFHGN-JKSUJKDBSA-N 1 0 284.334 2.489 10 0 CEAERO CC[N@H+](Cc1ccccn1)[C@@H]1COc2ccccc2[C@@H]1O ZINC000094923965 184895627 /nfs/dbraw/zinc/89/56/27/184895627.db2.gz JBTOAOJQSMFHOR-WBVHZDCISA-N 1 0 284.359 2.398 10 0 CEAERO CC[NH2+][C@H](c1ccc(Cl)s1)[C@H]1CN(C)CCO1 ZINC000094935948 184896471 /nfs/dbraw/zinc/89/64/71/184896471.db2.gz NNTHCKXFVHTQHH-SKDRFNHKSA-N 1 0 274.817 2.383 10 0 CEAERO C[C@@H](Nc1ccc(Cn2cccn2)cc1)[C@@H]1CC[NH2+]C1 ZINC000400425983 533553640 /nfs/dbraw/zinc/55/36/40/533553640.db2.gz YJZDMDUHICBWOE-UKRRQHHQSA-N 1 0 270.380 2.341 10 0 CEAERO Cc1cc2ncc([C@H](C)[NH2+][C@@H]3CCO[C@H]3C)c(C)n2n1 ZINC000250918612 131127233 /nfs/dbraw/zinc/12/72/33/131127233.db2.gz KKFIFJUKSBCVFG-VHRBIJSZSA-N 1 0 274.368 2.174 10 0 CEAERO COc1ccccc1C[C@H](C)[NH2+]C[C@H]1CCC[C@H]1O ZINC000250972463 131128502 /nfs/dbraw/zinc/12/85/02/131128502.db2.gz FTXYEXMZCLJODL-NWANDNLSSA-N 1 0 263.381 2.377 10 0 CEAERO C[C@H]1CN(c2c(F)c(F)nc(F)c2F)C[C@H]1[NH+](C)C ZINC000251844171 131131360 /nfs/dbraw/zinc/13/13/60/131131360.db2.gz QTVBNTKOGQULMH-NKWVEPMBSA-N 1 0 277.265 2.024 10 0 CEAERO COC(=O)c1ccc(CN2CC[NH2+]C[C@H]2CC(C)C)cc1 ZINC000039952605 292011426 /nfs/dbraw/zinc/01/14/26/292011426.db2.gz XLXISRZOYLNXJA-MRXNPFEDSA-N 1 0 290.407 2.293 10 0 CEAERO CC(C)c1nc(Cl)cc(N2CCC([NH3+])CC2)n1 ZINC000073737474 134445845 /nfs/dbraw/zinc/44/58/45/134445845.db2.gz WIDGSIUDJIDQPN-UHFFFAOYSA-N 1 0 254.765 2.181 10 0 CEAERO CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCO2)c2ccccc21 ZINC000071324490 134962925 /nfs/dbraw/zinc/96/29/25/134962925.db2.gz JLHWJJJXAKEWCC-HIFRSBDPSA-N 1 0 274.364 2.253 10 0 CEAERO C[NH2+][C@H]1CCN(CC(=O)N2CCCCC2)c2ccccc21 ZINC000071325786 134964574 /nfs/dbraw/zinc/96/45/74/134964574.db2.gz QQXJDRNUFSAYIW-HNNXBMFYSA-N 1 0 287.407 2.170 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C)CN1c1ccc(F)cc1OC ZINC000083393362 135017956 /nfs/dbraw/zinc/01/79/56/135017956.db2.gz ZPUYICLBKLOSCU-JQWIXIFHSA-N 1 0 252.333 2.411 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C)CN1c1ccc(F)c(OC)c1 ZINC000083393364 135018202 /nfs/dbraw/zinc/01/82/02/135018202.db2.gz VOJSCXGUKCQPCJ-GHMZBOCLSA-N 1 0 252.333 2.411 10 0 CEAERO CC[NH2+][C@](C)(CO)CN1c2ccccc2CC[C@@H]1C ZINC000085215594 135035690 /nfs/dbraw/zinc/03/56/90/135035690.db2.gz HQMMHOGHUFDBMR-BBRMVZONSA-N 1 0 262.397 2.188 10 0 CEAERO C[C@H]1Cc2ccccc2N(C(=O)[C@H]2CCC[C@@H]2[NH3+])C1 ZINC000085375358 135036470 /nfs/dbraw/zinc/03/64/70/135036470.db2.gz TUIRZGCMKNGZAL-UBHSHLNASA-N 1 0 258.365 2.339 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)N1CCCc2ccccc21 ZINC000085357105 135036698 /nfs/dbraw/zinc/03/66/98/135036698.db2.gz OZKWFFKOKQIOMK-ZIAGYGMSSA-N 1 0 258.365 2.483 10 0 CEAERO CC[NH2+][C@H](C)C1CCN(c2nc(C)cnc2C)CC1 ZINC000088057503 135052609 /nfs/dbraw/zinc/05/26/09/135052609.db2.gz OUEDFYKUWZYUJK-GFCCVEGCSA-N 1 0 262.401 2.308 10 0 CEAERO Cc1cc(N2CC[NH2+]CC23CCCCC3)nc(C)n1 ZINC000088396645 135054126 /nfs/dbraw/zinc/05/41/26/135054126.db2.gz KHFDOEWULGAEMC-UHFFFAOYSA-N 1 0 260.385 2.206 10 0 CEAERO [NH3+]Cc1cccc(N2CCC(C(F)(F)F)CC2)n1 ZINC000088416218 135054320 /nfs/dbraw/zinc/05/43/20/135054320.db2.gz CBCXORBBIBLMJG-UHFFFAOYSA-N 1 0 259.275 2.319 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H](C(=O)N2CCCc3ccccc32)C1 ZINC000088449517 135054837 /nfs/dbraw/zinc/05/48/37/135054837.db2.gz NRSGLZKABBFCKE-OCCSQVGLSA-N 1 0 258.365 2.211 10 0 CEAERO NC(=[NH2+])c1cc(N2CCC(C(F)(F)F)CC2)ccn1 ZINC000088421455 135054895 /nfs/dbraw/zinc/05/48/95/135054895.db2.gz GCXFMBFVVBMZLC-UHFFFAOYSA-N 1 0 272.274 2.144 10 0 CEAERO Cc1cncc(C(=O)N2CC[C@H]([NH3+])c3ccccc32)c1 ZINC000088448536 135054912 /nfs/dbraw/zinc/05/49/12/135054912.db2.gz FTIMOQWPCYSERO-AWEZNQCLSA-N 1 0 267.332 2.440 10 0 CEAERO C[C@H]1CCc2ccccc2N1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000089717472 135059846 /nfs/dbraw/zinc/05/98/46/135059846.db2.gz TUSIBJZGNCNHKM-STQMWFEESA-N 1 0 258.365 2.354 10 0 CEAERO CCC[NH2+]C[C@H]1CCCCN1c1cc(OC)nc(C)n1 ZINC000090787303 135065004 /nfs/dbraw/zinc/06/50/04/135065004.db2.gz FOTVWVKAQPNQQC-CYBMUJFWSA-N 1 0 278.400 2.152 10 0 CEAERO CC[NH2+]C[C@@H]1CCCN(c2cc(OC(C)C)ncn2)C1 ZINC000090786381 135065081 /nfs/dbraw/zinc/06/50/81/135065081.db2.gz SWYFQLULFXJAKM-ZDUSSCGKSA-N 1 0 278.400 2.090 10 0 CEAERO CCC[NH2+]C[C@@H]1CCCN(c2cc(OCCC)ncn2)C1 ZINC000090785466 135065137 /nfs/dbraw/zinc/06/51/37/135065137.db2.gz WLCUTDJDLKAWCV-AWEZNQCLSA-N 1 0 292.427 2.481 10 0 CEAERO C[C@@H]1Cc2ccccc2N(CC[C@@H]2C[NH2+]CCO2)C1 ZINC000091314249 135067729 /nfs/dbraw/zinc/06/77/29/135067729.db2.gz XAFVGRSBTHZSNU-UKRRQHHQSA-N 1 0 260.381 2.064 10 0 CEAERO C[NH+](C)[C@H]1CCCN(c2ccc(N)c3cccnc32)C1 ZINC000091394175 135068761 /nfs/dbraw/zinc/06/87/61/135068761.db2.gz QYUNBJOKSDLEDZ-LBPRGKRZSA-N 1 0 270.380 2.347 10 0 CEAERO C[C@H](O)c1ccc(N2CCC[C@H]([NH+](C)C)C2)c(F)c1 ZINC000091394259 135068976 /nfs/dbraw/zinc/06/89/76/135068976.db2.gz CZEIXJCFRQRZKV-AAEUAGOBSA-N 1 0 266.360 2.409 10 0 CEAERO CCC[NH2+]C[C@@H](C)[C@H](C)N1CCN(c2ccccn2)CC1 ZINC000093068417 135079085 /nfs/dbraw/zinc/07/90/85/135079085.db2.gz GMYGNXGAXCRMJE-CVEARBPZSA-N 1 0 290.455 2.228 10 0 CEAERO [NH3+]Cc1c(F)cccc1N1CC(=O)Nc2ccccc21 ZINC000093395200 135080340 /nfs/dbraw/zinc/08/03/40/135080340.db2.gz LKQFIMVESQXDCE-UHFFFAOYSA-N 1 0 271.295 2.375 10 0 CEAERO CC[C@@](C)([NH3+])C(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000094231693 135084473 /nfs/dbraw/zinc/08/44/73/135084473.db2.gz XDLLVDFWCKZKAV-OAHLLOKOSA-N 1 0 295.814 2.116 10 0 CEAERO Nc1c[nH+]ccc1N1CCN(c2ccncc2Cl)CC1 ZINC000094272738 135085768 /nfs/dbraw/zinc/08/57/68/135085768.db2.gz DGQIDXODQKLMGW-UHFFFAOYSA-N 1 0 289.770 2.039 10 0 CEAERO C[C@@H]1CN(c2nc(C(F)(F)F)ccc2C[NH3+])C[C@H](C)O1 ZINC000094334029 135085913 /nfs/dbraw/zinc/08/59/13/135085913.db2.gz FCOBLJTVGIWLJE-DTORHVGOSA-N 1 0 289.301 2.173 10 0 CEAERO C[C@H](O)c1ccc(N2CC[N@@H+]3CCCC[C@@H]3C2)cc1O ZINC000094439827 135087622 /nfs/dbraw/zinc/08/76/22/135087622.db2.gz YUHGEIZGAMBQRC-GXTWGEPZSA-N 1 0 276.380 2.120 10 0 CEAERO Nc1c2cccnc2ccc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094438972 135088007 /nfs/dbraw/zinc/08/80/07/135088007.db2.gz AOJISQUCIMUCFF-CYBMUJFWSA-N 1 0 282.391 2.492 10 0 CEAERO CN(C)[C@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccco1 ZINC000224420190 394465958 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C[C@@H]1C(=O)NCCCN1Cc1coc(-c2ccccc2)n1 ZINC000189094513 153081333 /nfs/dbraw/zinc/08/13/33/153081333.db2.gz OXLXLZMETIPMDP-GFCCVEGCSA-N 1 0 285.347 2.052 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCOCC(F)(F)C(F)F ZINC000189311407 153089556 /nfs/dbraw/zinc/08/95/56/153089556.db2.gz CVPPPJYLFUZCFX-WDEREUQCSA-N 1 0 298.324 2.072 10 0 CEAERO CCOC(=O)C1CCC(O)(C[N@@H+]2CCCC3(CC3)C2)CC1 ZINC000191064316 153156582 /nfs/dbraw/zinc/15/65/82/153156582.db2.gz GEZCSOVLFDEWRC-UHFFFAOYSA-N 1 0 295.423 2.347 10 0 CEAERO CC1CC[NH+](CCCNC(=O)[C@H]2CCCO[C@H]2C)CC1 ZINC000191229610 153164170 /nfs/dbraw/zinc/16/41/70/153164170.db2.gz WWVQMGFMMIIRQC-GJZGRUSLSA-N 1 0 282.428 2.040 10 0 CEAERO O=C1O[C@H](C[NH+]2CCC(c3cc[nH]n3)CC2)CC12CCC2 ZINC000191978724 153199762 /nfs/dbraw/zinc/19/97/62/153199762.db2.gz KHLMNJHMWXVVEH-ZDUSSCGKSA-N 1 0 289.379 2.075 10 0 CEAERO Cc1c[nH+]ccc1N1CCC(Nc2cccnn2)CC1 ZINC000192567655 153210874 /nfs/dbraw/zinc/21/08/74/153210874.db2.gz JCTWWGKQYIWWLO-UHFFFAOYSA-N 1 0 269.352 2.261 10 0 CEAERO O=C(Cc1cccc(F)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195089139 153278834 /nfs/dbraw/zinc/27/88/34/153278834.db2.gz CXLFSOBGZOSUTF-HNNXBMFYSA-N 1 0 276.355 2.065 10 0 CEAERO CCOc1ccccc1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195314959 153281476 /nfs/dbraw/zinc/28/14/76/153281476.db2.gz UPZBIHAIYMPXRM-CYBMUJFWSA-N 1 0 274.364 2.006 10 0 CEAERO O=C(c1cc2c(cccc2F)[nH]1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195327880 153282487 /nfs/dbraw/zinc/28/24/87/153282487.db2.gz SUKUVFIQBSCVBT-LLVKDONJSA-N 1 0 287.338 2.227 10 0 CEAERO CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195508001 153291901 /nfs/dbraw/zinc/29/19/01/153291901.db2.gz BVUVBZXMVKEDFD-STQMWFEESA-N 1 0 292.427 2.282 10 0 CEAERO CCn1cnnc1[C@H]1CCC[N@H+](CCOC(C)(C)C)C1 ZINC000195520316 153292119 /nfs/dbraw/zinc/29/21/19/153292119.db2.gz FTRXAEWCZHROIF-ZDUSSCGKSA-N 1 0 280.416 2.293 10 0 CEAERO Cc1nc(C[C@H]2CCC[N@H+](Cc3c(C)noc3C)C2)no1 ZINC000195517716 153292662 /nfs/dbraw/zinc/29/26/62/153292662.db2.gz GBECGXIQOWJGFW-CYBMUJFWSA-N 1 0 290.367 2.438 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]CCC[C@H](C)O)c1C ZINC000228028470 153353695 /nfs/dbraw/zinc/35/36/95/153353695.db2.gz IBTJYUKCKHCEJF-WDEREUQCSA-N 1 0 253.390 2.331 10 0 CEAERO Cc1cnc([C@H](C)N[C@H](C)C(=O)NC2CCCC2)o1 ZINC000230643407 153394251 /nfs/dbraw/zinc/39/42/51/153394251.db2.gz YCTIEBFSJDPNMG-MNOVXSKESA-N 1 0 265.357 2.081 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1ccccc1O ZINC000246820194 153571475 /nfs/dbraw/zinc/57/14/75/153571475.db2.gz APMNAEVQCWVHPT-CABCVRRESA-N 1 0 288.391 2.020 10 0 CEAERO [NH3+]C1(CNc2nc(C3CC3)ns2)CCCCC1 ZINC000261553326 153755960 /nfs/dbraw/zinc/75/59/60/153755960.db2.gz NXBQSVPZOSMIQJ-UHFFFAOYSA-N 1 0 252.387 2.489 10 0 CEAERO Cc1csc([C@H](C)NC(=O)CC[C@H]2CCC[NH2+]2)n1 ZINC000261565591 153762032 /nfs/dbraw/zinc/76/20/32/153762032.db2.gz HTFGOZNJMZLYMV-WDEREUQCSA-N 1 0 267.398 2.161 10 0 CEAERO COc1ccc(CN2CC[C@H]([NH3+])[C@H]2C)c(Cl)c1OC ZINC000261587211 153778659 /nfs/dbraw/zinc/77/86/59/153778659.db2.gz JIRCHGDCNKMTAU-KOLCDFICSA-N 1 0 284.787 2.279 10 0 CEAERO C[C@H](c1cn(-c2ccccc2)nn1)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261607546 153785478 /nfs/dbraw/zinc/78/54/78/153785478.db2.gz AUDKXCOTJVMAPV-CZUORRHYSA-N 1 0 299.422 2.388 10 0 CEAERO COC[C@@]1(CNc2ccc(C(F)(F)F)cn2)CCC[NH2+]1 ZINC000261732436 153818822 /nfs/dbraw/zinc/81/88/22/153818822.db2.gz LIZQEDJMUODPRF-LBPRGKRZSA-N 1 0 289.301 2.281 10 0 CEAERO C[C@@H](Oc1ccc(F)cc1)C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261719049 153820279 /nfs/dbraw/zinc/82/02/79/153820279.db2.gz CGVAKABSJFYCKZ-RISCZKNCSA-N 1 0 294.370 2.179 10 0 CEAERO C[NH2+][C@H](C)Cc1noc(-c2ccccc2-c2nc(C)no2)n1 ZINC000261726863 153821021 /nfs/dbraw/zinc/82/10/21/153821021.db2.gz JWZHJDYTPUWIPN-SECBINFHSA-N 1 0 299.334 2.245 10 0 CEAERO O=C(Nc1ccc(F)cc1F)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261743667 153824638 /nfs/dbraw/zinc/82/46/38/153824638.db2.gz MGSJCYGIFOTVTK-NXEZZACHSA-N 1 0 281.306 2.038 10 0 CEAERO C[NH2+][C@@H](C)Cc1noc([C@@H](C)c2ccc(OC)cc2)n1 ZINC000261861195 153861178 /nfs/dbraw/zinc/86/11/78/153861178.db2.gz UKQKKHVATWJXHO-QWRGUYRKSA-N 1 0 275.352 2.380 10 0 CEAERO Cc1c(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cnn1C(C)(C)C ZINC000261933218 153881626 /nfs/dbraw/zinc/88/16/26/153881626.db2.gz WNLGKCZGVQRKJI-ZDUSSCGKSA-N 1 0 292.427 2.146 10 0 CEAERO C[C@H](Oc1ccccc1)C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262156945 153921492 /nfs/dbraw/zinc/92/14/92/153921492.db2.gz XTBBXAAGJUNNMK-GXTWGEPZSA-N 1 0 276.380 2.040 10 0 CEAERO COC[C@@H]([NH3+])C(=O)N[C@@H](c1cccc(C)c1)C(C)(C)C ZINC000262338810 153941291 /nfs/dbraw/zinc/94/12/91/153941291.db2.gz SMLBRUOUDJALGJ-KGLIPLIRSA-N 1 0 278.396 2.172 10 0 CEAERO Cc1sc(CNC(=O)[C@@H](C)C2C[NH2+]C2)nc1C(C)C ZINC000262524260 153958683 /nfs/dbraw/zinc/95/86/83/153958683.db2.gz LCAUXDWTNYOFCW-VIFPVBQESA-N 1 0 281.425 2.047 10 0 CEAERO CCCN(C(=O)c1cc(C)n(CC)c1C)[C@H]1CC[NH2+]C1 ZINC000262600931 153966311 /nfs/dbraw/zinc/96/63/11/153966311.db2.gz XFVUHOGEKUBPAM-AWEZNQCLSA-N 1 0 277.412 2.339 10 0 CEAERO O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000225530325 304388717 /nfs/dbraw/zinc/38/87/17/304388717.db2.gz QDZSRPGYUGSVDX-UVPYHEFZSA-N 1 0 292.423 2.077 10 0 CEAERO Cc1ccc(/C=C/c2nc([C@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263149363 154024159 /nfs/dbraw/zinc/02/41/59/154024159.db2.gz CYXFZLNGERPPBC-HSBSLETESA-N 1 0 284.363 2.125 10 0 CEAERO C/C(=C/c1nc([C@H]2C[NH2+]CCN2C)no1)c1ccccc1 ZINC000263294197 154051806 /nfs/dbraw/zinc/05/18/06/154051806.db2.gz WCIDARJBKVKYOD-GAJOTYCWSA-N 1 0 284.363 2.206 10 0 CEAERO CC[C@@H]1CN(c2ccnc(Cl)c2)CC[N@@H+]1C[C@H](C)O ZINC000268146069 154143202 /nfs/dbraw/zinc/14/32/02/154143202.db2.gz DLMYRKGHPNCTPW-NWDGAFQWSA-N 1 0 283.803 2.016 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+]CC(C)(C)OCC)C12CCOCC2 ZINC000188684120 286489931 /nfs/dbraw/zinc/48/99/31/286489931.db2.gz SKXXTTUYTLLVKP-KGLIPLIRSA-N 1 0 285.428 2.365 10 0 CEAERO Cc1cc(N2CC[N@@H+]3CCC[C@@H]3C2)nc(-c2ccncc2)n1 ZINC000171939285 162393727 /nfs/dbraw/zinc/39/37/27/162393727.db2.gz SERGGBTWCGUXAY-OAHLLOKOSA-N 1 0 295.390 2.131 10 0 CEAERO CC(C)(C)CCCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172510878 162412237 /nfs/dbraw/zinc/41/22/37/162412237.db2.gz OGULKUIYABXXLD-CYBMUJFWSA-N 1 0 267.417 2.302 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1cccs1 ZINC000246894719 162476319 /nfs/dbraw/zinc/47/63/19/162476319.db2.gz HALOEYULCBYOPM-STQMWFEESA-N 1 0 278.421 2.376 10 0 CEAERO CCN(C)c1ccc(CN2CC[N@@H+]3CCCC[C@H]3C2)cn1 ZINC000248826391 162514015 /nfs/dbraw/zinc/51/40/15/162514015.db2.gz GYGAHCNBMVYKLQ-INIZCTEOSA-N 1 0 288.439 2.208 10 0 CEAERO COCC[C@H](C)[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253087353 162531195 /nfs/dbraw/zinc/53/11/95/162531195.db2.gz DBIXAQXTYKXXTL-BYNSBNAKSA-N 1 0 255.402 2.427 10 0 CEAERO CC(C)[C@H](C)NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171579868 165045948 /nfs/dbraw/zinc/04/59/48/165045948.db2.gz VCXHICMKXUBYKW-KBPBESRZSA-N 1 0 267.417 2.301 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1noc(C(C)C)n1 ZINC000175043953 165123920 /nfs/dbraw/zinc/12/39/20/165123920.db2.gz LEWWOFNGTBGYKA-CHWSQXEVSA-N 1 0 278.400 2.252 10 0 CEAERO C[NH+](C)C[C@@H](NC(=O)c1cccc(O)c1)c1ccccc1 ZINC000176127669 165155234 /nfs/dbraw/zinc/15/52/34/165155234.db2.gz KMLVWCAYIJOEIX-MRXNPFEDSA-N 1 0 284.359 2.425 10 0 CEAERO Cc1ccc(CN(C)C(=O)C2([NH3+])CCCC2)s1 ZINC000178109697 165224401 /nfs/dbraw/zinc/22/44/01/165224401.db2.gz KIGUZCSOMUEEDQ-UHFFFAOYSA-N 1 0 252.383 2.286 10 0 CEAERO COCCC[C@@H](C)[NH2+][C@H]1CCc2nc(C(C)C)nn2C1 ZINC000180647228 165318014 /nfs/dbraw/zinc/31/80/14/165318014.db2.gz LCIUFFSRBGUUMA-OLZOCXBDSA-N 1 0 280.416 2.121 10 0 CEAERO C[N@@H+]1CCc2cccc3c2[C@@H]1Cc1sc(N)nc1-3 ZINC000005140868 170070415 /nfs/dbraw/zinc/07/04/15/170070415.db2.gz HHCIBEMTUSEDSI-JTQLQIEISA-N 1 0 257.362 2.477 10 0 CEAERO COc1ccc([C@@H]([NH3+])Cn2nc(C)cc2C)cc1OC ZINC000011849972 170447289 /nfs/dbraw/zinc/44/72/89/170447289.db2.gz AMNMBAHSOIWDFO-ZDUSSCGKSA-N 1 0 275.352 2.217 10 0 CEAERO CC(C)N1C(=O)N(C)C2(CC[NH+](CC(C)(C)C)CC2)C1=O ZINC000014533981 170636426 /nfs/dbraw/zinc/63/64/26/170636426.db2.gz ULQHQOXCOMGZDJ-UHFFFAOYSA-N 1 0 295.427 2.170 10 0 CEAERO Cc1ccccc1[C@H]([NH3+])CN1C(=O)c2ccccc2C1=O ZINC000019394040 170782242 /nfs/dbraw/zinc/78/22/42/170782242.db2.gz DHKWMNLLFCIXKZ-OAHLLOKOSA-N 1 0 280.327 2.291 10 0 CEAERO CCCC[N@H+](C)C[C@H](N)c1ccc(OC)c(OC)c1 ZINC000019396686 170783106 /nfs/dbraw/zinc/78/31/06/170783106.db2.gz DIAWUDSPKYOVRO-ZDUSSCGKSA-N 1 0 266.385 2.436 10 0 CEAERO Cc1cc(NC(=O)[C@H]2CCC[NH2+]C2)c2ccccc2n1 ZINC000019410986 170789306 /nfs/dbraw/zinc/78/93/06/170789306.db2.gz WFPLVGYTQOFBGK-LBPRGKRZSA-N 1 0 269.348 2.481 10 0 CEAERO O=C(NCC[C@H]1CCCC[NH2+]1)c1ccc(F)cc1F ZINC000019471258 170805002 /nfs/dbraw/zinc/80/50/02/170805002.db2.gz ZTHPMIDWLXYIPV-LLVKDONJSA-N 1 0 268.307 2.227 10 0 CEAERO COc1ccc(C)cc1NC(=O)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000019509112 170819654 /nfs/dbraw/zinc/81/96/54/170819654.db2.gz MSHSKYJPNBYCHM-NEPJUHHUSA-N 1 0 262.353 2.330 10 0 CEAERO CN(CC[C@@H]1CCCC[NH2+]1)C(=O)c1ccccc1F ZINC000019843752 170891709 /nfs/dbraw/zinc/89/17/09/170891709.db2.gz SPOAWVZEYMMBPP-LBPRGKRZSA-N 1 0 264.344 2.430 10 0 CEAERO O=C(CC[NH2+][C@@H]1CCc2ccccc21)N1CCCC1 ZINC000020127242 171012319 /nfs/dbraw/zinc/01/23/19/171012319.db2.gz BIRRVOKHGASPHF-OAHLLOKOSA-N 1 0 258.365 2.276 10 0 CEAERO CC(C)CC[NH2+]C[C@@H](CC(C)C)N1CCOCC1 ZINC000020144274 171029590 /nfs/dbraw/zinc/02/95/90/171029590.db2.gz CDGYOVYDXKCWKU-OAHLLOKOSA-N 1 0 256.434 2.369 10 0 CEAERO [NH3+]Cc1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1F ZINC000020189310 171054625 /nfs/dbraw/zinc/05/46/25/171054625.db2.gz WAUGWFCFSZLRKL-UHFFFAOYSA-N 1 0 298.314 2.224 10 0 CEAERO C=COCCC[NH2+]Cc1cccc(OC)c1OC ZINC000020197540 171062078 /nfs/dbraw/zinc/06/20/78/171062078.db2.gz XTSRQWMRFDTWHH-UHFFFAOYSA-N 1 0 251.326 2.344 10 0 CEAERO CC(C)C(=O)N(C)c1ccc(OCCC[NH3+])cc1 ZINC000020225115 171087331 /nfs/dbraw/zinc/08/73/31/171087331.db2.gz NIWIQIPOMCTTHE-UHFFFAOYSA-N 1 0 250.342 2.033 10 0 CEAERO c1ccc2nc(C[NH2+][C@@H]3CN4CCC3CC4)ccc2c1 ZINC000020246358 171099141 /nfs/dbraw/zinc/09/91/41/171099141.db2.gz HJZYMWZRQAZHDV-QGZVFWFLSA-N 1 0 267.376 2.419 10 0 CEAERO [NH3+]C[C@H](c1ccc(F)cc1F)N1CCSCC1 ZINC000020257061 171111528 /nfs/dbraw/zinc/11/15/28/171111528.db2.gz RFGRDFBDWRDTGJ-GFCCVEGCSA-N 1 0 258.337 2.013 10 0 CEAERO CCCNC(=O)[C@@H](C)Oc1ccc([C@@H]([NH3+])CC)cc1 ZINC000020419602 171184466 /nfs/dbraw/zinc/18/44/66/171184466.db2.gz MIGNHZADGGOWCU-RISCZKNCSA-N 1 0 264.369 2.390 10 0 CEAERO COc1cc([C@@H](C)[NH3+])ccc1O[C@H](C)C(=O)NC(C)C ZINC000020419844 171185371 /nfs/dbraw/zinc/18/53/71/171185371.db2.gz SNYSARDKHGJISC-GHMZBOCLSA-N 1 0 280.368 2.007 10 0 CEAERO NC(=O)c1ccccc1C[NH2+]Cc1cccc(F)c1 ZINC000020473585 171217483 /nfs/dbraw/zinc/21/74/83/171217483.db2.gz QYPMFBYPVFAJGG-UHFFFAOYSA-N 1 0 258.296 2.214 10 0 CEAERO Cn1cc([C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)cn1 ZINC000020476761 171220901 /nfs/dbraw/zinc/22/09/01/171220901.db2.gz OECSJZKZQVNBEK-NSHDSACASA-N 1 0 255.243 2.487 10 0 CEAERO CC(C)(C)OCCC(=O)Nc1ccccc1C[NH3+] ZINC000020508654 171229548 /nfs/dbraw/zinc/22/95/48/171229548.db2.gz YUDWTVWPUCLDNQ-UHFFFAOYSA-N 1 0 250.342 2.289 10 0 CEAERO COc1ccc([C@H](C)N2CCC([NH3+])CC2)cc1F ZINC000020521551 171235134 /nfs/dbraw/zinc/23/51/34/171235134.db2.gz ILNGTVKXKLFGHT-JTQLQIEISA-N 1 0 252.333 2.318 10 0 CEAERO Cc1ccc(C(=O)Nc2ccc(C[NH3+])cc2)cc1O ZINC000021964762 171343653 /nfs/dbraw/zinc/34/36/53/171343653.db2.gz CTZZACDSGZIQHE-UHFFFAOYSA-N 1 0 256.305 2.412 10 0 CEAERO C[C@H](C(=O)Nc1cccc(N)c1)[NH+]1CCCCCC1 ZINC000022154295 171361503 /nfs/dbraw/zinc/36/15/03/171361503.db2.gz KZPZNXXUCNCUPL-GFCCVEGCSA-N 1 0 261.369 2.472 10 0 CEAERO [NH3+]Cc1cccc(NC(=O)COc2ccccc2)c1 ZINC000022162550 171364915 /nfs/dbraw/zinc/36/49/15/171364915.db2.gz YBMFFBLDFSBGHW-UHFFFAOYSA-N 1 0 256.305 2.163 10 0 CEAERO COc1cc([C@H](C[NH3+])N(C)C(C)C)cc(OC)c1OC ZINC000022172339 171368814 /nfs/dbraw/zinc/36/88/14/171368814.db2.gz PQIKWFFDPULFSR-LBPRGKRZSA-N 1 0 282.384 2.052 10 0 CEAERO CC[C@@H]([NH3+])c1ccc(OCC(=O)N[C@@H](C)CC)cc1 ZINC000022175734 171370413 /nfs/dbraw/zinc/37/04/13/171370413.db2.gz RFMMNUBGTPQJGO-SMDDNHRTSA-N 1 0 264.369 2.390 10 0 CEAERO COc1cc([C@@H](C)[NH3+])ccc1OC[C@H]1CCCO1 ZINC000022217724 171376499 /nfs/dbraw/zinc/37/64/99/171376499.db2.gz HJUMHRCBDLOROP-ZYHUDNBSSA-N 1 0 251.326 2.273 10 0 CEAERO CCOc1ccc([C@H]([NH3+])CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000022566255 171391834 /nfs/dbraw/zinc/39/18/34/171391834.db2.gz LPXFXYVTPRAHRH-DVOMOZLQSA-N 1 0 278.396 2.194 10 0 CEAERO COCCOc1cc(C[NH2+]C(C)C)ccc1OC ZINC000032108038 171699513 /nfs/dbraw/zinc/69/95/13/171699513.db2.gz QQXRJSYSXOJHLF-UHFFFAOYSA-N 1 0 253.342 2.218 10 0 CEAERO COc1ccc([C@H](O)C[NH2+]C(C)(C)C)cc1OC ZINC000032107943 171699557 /nfs/dbraw/zinc/69/95/57/171699557.db2.gz XORCKFYSYJIZNV-LLVKDONJSA-N 1 0 253.342 2.125 10 0 CEAERO O[C@H](C[NH2+]C1CC1)c1cccc(Br)c1 ZINC000032108946 171701793 /nfs/dbraw/zinc/70/17/93/171701793.db2.gz UQFOSIVHYAIGEX-LLVKDONJSA-N 1 0 256.143 2.235 10 0 CEAERO COC(=O)c1cc(C[NH2+][C@@H](C)[C@H]2CCCO2)oc1C ZINC000035273873 172094628 /nfs/dbraw/zinc/09/46/28/172094628.db2.gz XEKFTMGGTZHHSF-TVQRCGJNSA-N 1 0 267.325 2.032 10 0 CEAERO C[NH2+]Cc1c(N2CCC(C)CC2)nc2ccccn21 ZINC000035433838 172201633 /nfs/dbraw/zinc/20/16/33/172201633.db2.gz PAIIJTNNILKZHV-UHFFFAOYSA-N 1 0 258.369 2.290 10 0 CEAERO C[NH2+][C@@H](c1cccs1)c1ccc(S(C)(=O)=O)cc1 ZINC000035488182 172223284 /nfs/dbraw/zinc/22/32/84/172223284.db2.gz AZCVBBZXPDSLEZ-CYBMUJFWSA-N 1 0 281.402 2.460 10 0 CEAERO CC[C@H](C)NC(=O)COc1ccc(C)cc1[C@H](C)[NH3+] ZINC000035629423 172310254 /nfs/dbraw/zinc/31/02/54/172310254.db2.gz XWZRRFNZWTYWNR-RYUDHWBXSA-N 1 0 264.369 2.308 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C(C)C)cc1 ZINC000035633369 172317395 /nfs/dbraw/zinc/31/73/95/172317395.db2.gz FKGOHPZVERTWAR-GFCCVEGCSA-N 1 0 284.425 2.386 10 0 CEAERO CC[NH2+][C@@H](C)c1ccccc1NC(=O)[C@@H]1CCCO1 ZINC000035643799 172321538 /nfs/dbraw/zinc/32/15/38/172321538.db2.gz CDDCYFRYTPSEHT-FZMZJTMJSA-N 1 0 262.353 2.475 10 0 CEAERO C[NH2+]Cc1nc(-c2ccc(Br)cc2)no1 ZINC000035659388 172336348 /nfs/dbraw/zinc/33/63/48/172336348.db2.gz ZNAVYNHILFZLJO-UHFFFAOYSA-N 1 0 268.114 2.219 10 0 CEAERO CC[C@H]([NH3+])c1ccccc1OCc1nnc(C)n1C ZINC000035696542 172364596 /nfs/dbraw/zinc/36/45/96/172364596.db2.gz UMBBVIXZJUZISZ-LBPRGKRZSA-N 1 0 260.341 2.112 10 0 CEAERO CC[NH2+][C@H]1c2cc(Cl)ccc2S(=O)(=O)C[C@@H]1C ZINC000035760908 172399238 /nfs/dbraw/zinc/39/92/38/172399238.db2.gz CFGLDJRGASSOOT-QPUJVOFHSA-N 1 0 273.785 2.414 10 0 CEAERO [NH3+][C@H]1CC[C@@H]2CN(c3ccc(Cl)cn3)C[C@@H]2C1 ZINC000036269134 172564497 /nfs/dbraw/zinc/56/44/97/172564497.db2.gz DKSYIGVQGDFRGU-SCVCMEIPSA-N 1 0 251.761 2.299 10 0 CEAERO CN(Cc1ccccn1)C[C@@H]([NH3+])Cc1ccccc1 ZINC000036777700 172694507 /nfs/dbraw/zinc/69/45/07/172694507.db2.gz RARRJNAZLPTDBV-HNNXBMFYSA-N 1 0 255.365 2.083 10 0 CEAERO O=S1(=O)CC[C@H]([NH2+][C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000037188037 173018451 /nfs/dbraw/zinc/01/84/51/173018451.db2.gz JWMQZTNOUUXCOA-KBPBESRZSA-N 1 0 283.368 2.054 10 0 CEAERO CC[NH+](CC)CCN[C@H]1CCOc2ccc(OC)cc21 ZINC000037202082 173026282 /nfs/dbraw/zinc/02/62/82/173026282.db2.gz ZTAIQBYTNGDKIN-HNNXBMFYSA-N 1 0 278.396 2.450 10 0 CEAERO CC[NH2+]C1CCN(CCc2ccccc2F)CC1 ZINC000037241255 173057740 /nfs/dbraw/zinc/05/77/40/173057740.db2.gz GTSHAULZCMEEQR-UHFFFAOYSA-N 1 0 250.361 2.442 10 0 CEAERO NS(=O)(=O)CC[NH2+][C@H]1CCCC[C@H]1C1CCCCC1 ZINC000037261851 173071321 /nfs/dbraw/zinc/07/13/21/173071321.db2.gz RDVAQROFSDPHSV-KBPBESRZSA-N 1 0 288.457 2.004 10 0 CEAERO NS(=O)(=O)CC[NH2+][C@H]1CCCC[C@@H]1C1CCCCC1 ZINC000037261852 173071610 /nfs/dbraw/zinc/07/16/10/173071610.db2.gz RDVAQROFSDPHSV-KGLIPLIRSA-N 1 0 288.457 2.004 10 0 CEAERO CC[C@H]([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)C(C)C ZINC000037278070 173088138 /nfs/dbraw/zinc/08/81/38/173088138.db2.gz XMWSXZGSBJCABK-FZMZJTMJSA-N 1 0 284.425 2.419 10 0 CEAERO CC(C)(C)n1cc(C[NH2+][C@H]2CCC[C@H](O)C2)cn1 ZINC000037321421 173121748 /nfs/dbraw/zinc/12/17/48/173121748.db2.gz RBEANCZWTVALDY-STQMWFEESA-N 1 0 251.374 2.031 10 0 CEAERO C[N@H+]([C@H](CN)c1ccc2c(c1)CCO2)C1CCCC1 ZINC000037363760 173152662 /nfs/dbraw/zinc/15/26/62/173152662.db2.gz UKXZDEVUBKKNQI-OAHLLOKOSA-N 1 0 260.381 2.496 10 0 CEAERO [NH3+]C[C@@H](O)COc1ccc(Cl)c2ccccc12 ZINC000037364330 173153595 /nfs/dbraw/zinc/15/35/95/173153595.db2.gz RVGSMXMXVFZJPF-SECBINFHSA-N 1 0 251.713 2.192 10 0 CEAERO CC[NH2+][C@H](C)c1ccccc1OCCS(=O)(=O)CC ZINC000037370283 173159207 /nfs/dbraw/zinc/15/92/07/173159207.db2.gz NHFQAVDRZOSHPK-GFCCVEGCSA-N 1 0 285.409 2.171 10 0 CEAERO [NH3+][C@@H](c1ccccc1)c1ccc2c(c1)NC(=O)CO2 ZINC000037371363 173160727 /nfs/dbraw/zinc/16/07/27/173160727.db2.gz VBFDVBCUSDICBI-HNNXBMFYSA-N 1 0 254.289 2.066 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000037386490 173170146 /nfs/dbraw/zinc/17/01/46/173170146.db2.gz ALXLTMWEWCCOHS-JTQLQIEISA-N 1 0 296.367 2.039 10 0 CEAERO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)CC)cc1 ZINC000037386434 173170430 /nfs/dbraw/zinc/17/04/30/173170430.db2.gz JDDWNZQLHGDRNB-NSHDSACASA-N 1 0 250.342 2.412 10 0 CEAERO COC(=O)CCC[NH2+]Cc1cccc2cccnc21 ZINC000037395877 173175906 /nfs/dbraw/zinc/17/59/06/173175906.db2.gz PRYDMLFWNCLDGT-UHFFFAOYSA-N 1 0 258.321 2.278 10 0 CEAERO [NH3+]CCCCCCC(=O)Nc1ccc2n[nH]cc2c1 ZINC000037413800 173190173 /nfs/dbraw/zinc/19/01/73/173190173.db2.gz AFAAGBJYGPJILE-UHFFFAOYSA-N 1 0 260.341 2.411 10 0 CEAERO COC(=O)CCC[NH2+]Cc1ccc(CSC)o1 ZINC000037416733 173194366 /nfs/dbraw/zinc/19/43/66/173194366.db2.gz CHZZHUOFRILMOR-UHFFFAOYSA-N 1 0 257.355 2.185 10 0 CEAERO CCn1c2ccc(C)cc2nc1[C@@H]1C[C@@H](OC)C[NH2+]1 ZINC000037438198 173208838 /nfs/dbraw/zinc/20/88/38/173208838.db2.gz ZGOXRROJKBDULC-YPMHNXCESA-N 1 0 259.353 2.414 10 0 CEAERO CCn1c2c(cccc2Cl)nc1[C@@H]([NH3+])[C@@H](C)O ZINC000037443967 173212500 /nfs/dbraw/zinc/21/25/00/173212500.db2.gz RRTVQNSLBDXGST-XCBNKYQSSA-N 1 0 253.733 2.090 10 0 CEAERO C[C@@H]([NH3+])Cc1nc(Cc2ccc(Cl)cc2)no1 ZINC000037452520 173218628 /nfs/dbraw/zinc/21/86/28/173218628.db2.gz YUPNXUBCROHDNM-MRVPVSSYSA-N 1 0 251.717 2.204 10 0 CEAERO C[NH2+][C@@](C)(C(N)=O)c1ccc(-c2ccccc2)cc1 ZINC000037459065 173224093 /nfs/dbraw/zinc/22/40/93/173224093.db2.gz SCOWKCCVPDJRTA-MRXNPFEDSA-N 1 0 254.333 2.274 10 0 CEAERO COC(=O)CC[NH2+]Cc1ccc(F)cc1Br ZINC000037491335 173232396 /nfs/dbraw/zinc/23/23/96/173232396.db2.gz OPOMTDLYQOUPHB-UHFFFAOYSA-N 1 0 290.132 2.241 10 0 CEAERO C[NH2+]C1CCN(C(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000037536443 173254970 /nfs/dbraw/zinc/25/49/70/173254970.db2.gz YCHNYNYVYIGPLQ-YNEHKIRRSA-N 1 0 250.386 2.023 10 0 CEAERO CCN(C(=O)c1cccn1C(C)C)C1CC[NH2+]CC1 ZINC000037537306 173256128 /nfs/dbraw/zinc/25/61/28/173256128.db2.gz GFFNXMQSWODNLN-UHFFFAOYSA-N 1 0 263.385 2.283 10 0 CEAERO COc1ccc(CC[C@H](C)[NH2+]CC(OC)OC)cc1 ZINC000037566757 173514760 /nfs/dbraw/zinc/51/47/60/173514760.db2.gz HWJJBNPLJMDSIH-LBPRGKRZSA-N 1 0 267.369 2.225 10 0 CEAERO Cc1ccc(CN(C)C(=O)C2CCC([NH3+])CC2)o1 ZINC000037626193 173576519 /nfs/dbraw/zinc/57/65/19/173576519.db2.gz PZJWKZSOKXGTTE-UHFFFAOYSA-N 1 0 250.342 2.064 10 0 CEAERO CC[NH2+][C@@H](C)c1cccc(OCC(=O)OCC)c1 ZINC000037708225 173628472 /nfs/dbraw/zinc/62/84/72/173628472.db2.gz QIPDHEIHKZXNIO-NSHDSACASA-N 1 0 251.326 2.299 10 0 CEAERO C[C@@H]([NH3+])Cc1cc(Cl)cc(Cl)c1OCCC(N)=O ZINC000037729007 173648571 /nfs/dbraw/zinc/64/85/71/173648571.db2.gz XPGJFGNBXQJIQV-SSDOTTSWSA-N 1 0 291.178 2.137 10 0 CEAERO O=C(C[NH2+]C1CCCC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000037749994 173672334 /nfs/dbraw/zinc/67/23/34/173672334.db2.gz YOFRQFGCEWJPTH-SNVBAGLBSA-N 1 0 278.318 2.320 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc(OC)ccc1OCCCOC ZINC000037754289 173678030 /nfs/dbraw/zinc/67/80/30/173678030.db2.gz BYWNJBHSHXYIEC-CYBMUJFWSA-N 1 0 267.369 2.390 10 0 CEAERO CCC(CC)N(CCOC)C(=O)C[NH2+]C1CCCC1 ZINC000037812423 173758439 /nfs/dbraw/zinc/75/84/39/173758439.db2.gz YIYGKDBLWHJJBE-UHFFFAOYSA-N 1 0 270.417 2.182 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)N(CC(C)C)CC(F)(F)F ZINC000037813309 173760124 /nfs/dbraw/zinc/76/01/24/173760124.db2.gz XADCHKSIGOHLJG-SNVBAGLBSA-N 1 0 268.323 2.421 10 0 CEAERO CCN(C(=O)CCC[NH2+]C)[C@H](C)c1cccc(O)c1 ZINC000037827121 173784933 /nfs/dbraw/zinc/78/49/33/173784933.db2.gz PYXJFHYLHSICQK-GFCCVEGCSA-N 1 0 264.369 2.301 10 0 CEAERO CC[C@H]1CCCN1C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000037914968 173849133 /nfs/dbraw/zinc/84/91/33/173849133.db2.gz YLJCFOZHDYGUOS-XUXIUFHCSA-N 1 0 250.386 2.308 10 0 CEAERO Oc1ccc2c(c1)OC[C@@H]2[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000038009475 173975129 /nfs/dbraw/zinc/97/51/29/173975129.db2.gz VZUAIHGZPOZLCG-ZFWWWQNUSA-N 1 0 283.327 2.419 10 0 CEAERO CCCOc1cccc(C[NH2+][C@@]2(C)CCS(=O)(=O)C2)c1 ZINC000038038299 174038375 /nfs/dbraw/zinc/03/83/75/174038375.db2.gz OIAQBCHGOUEBQM-HNNXBMFYSA-N 1 0 297.420 2.142 10 0 CEAERO CCCCC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000038042694 174046265 /nfs/dbraw/zinc/04/62/65/174046265.db2.gz ONVHJXBQRBVZOQ-CQSZACIVSA-N 1 0 268.401 2.190 10 0 CEAERO COc1ccc(CCC(=O)N[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000038049413 174060476 /nfs/dbraw/zinc/06/04/76/174060476.db2.gz KDXWFUKEVZJGHL-CABCVRRESA-N 1 0 276.380 2.014 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(F)cc1F ZINC000038049791 174061075 /nfs/dbraw/zinc/06/10/75/174061075.db2.gz MYINLXDKODKCNA-PWSUYJOCSA-N 1 0 269.295 2.356 10 0 CEAERO CCOc1ccccc1C(=O)N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000038049684 174061205 /nfs/dbraw/zinc/06/12/05/174061205.db2.gz LSQQGQXJZOAVOG-QWHCGFSZSA-N 1 0 262.353 2.085 10 0 CEAERO CCCc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000038050563 174062004 /nfs/dbraw/zinc/06/20/04/174062004.db2.gz ABXANVCPOFNRCB-GJZGRUSLSA-N 1 0 296.436 2.187 10 0 CEAERO NC(=O)c1cnc2ccccc2c1N[C@H]1CCCC[C@@H]1[NH3+] ZINC000038051118 174062584 /nfs/dbraw/zinc/06/25/84/174062584.db2.gz DWWYOAFWAAXQFI-JSGCOSHPSA-N 1 0 284.363 2.016 10 0 CEAERO CC[C@H](C)[NH2+][C@@H](C(N)=O)c1ccccc1OC(F)F ZINC000038065003 174075350 /nfs/dbraw/zinc/07/53/50/174075350.db2.gz RDSGFUSZHYYFDX-GZMMTYOYSA-N 1 0 272.295 2.203 10 0 CEAERO CC[NH2+]C1CCN(C(=O)Nc2cccc(F)c2)CC1 ZINC000038076177 174086651 /nfs/dbraw/zinc/08/66/51/174086651.db2.gz GYGLVOGUNVOBHR-UHFFFAOYSA-N 1 0 265.332 2.432 10 0 CEAERO CCC[NH+]1CCC(C(=O)[O-])([NH+]2CCCCCC2)CC1 ZINC000038086344 174097915 /nfs/dbraw/zinc/09/79/15/174097915.db2.gz MCINTXWDYXNOKF-UHFFFAOYSA-N 1 0 268.401 2.192 10 0 CEAERO C[C@H]1c2ccsc2CCN1C(=O)[C@H]1CCCC[NH2+]1 ZINC000038100816 174115362 /nfs/dbraw/zinc/11/53/62/174115362.db2.gz SANQQWAREVLCPH-CMPLNLGQSA-N 1 0 264.394 2.336 10 0 CEAERO COc1ccc([C@@H](CO)[NH2+]C(C)C)cc1Br ZINC000038115887 174126004 /nfs/dbraw/zinc/12/60/04/174126004.db2.gz HQSJMXRQKBZDGB-LLVKDONJSA-N 1 0 288.185 2.489 10 0 CEAERO COc1ccc(Br)cc1[C@H](CO)[NH2+]C1CC1 ZINC000038124344 174130692 /nfs/dbraw/zinc/13/06/92/174130692.db2.gz QDIUDGVVKXHWSG-NSHDSACASA-N 1 0 286.169 2.243 10 0 CEAERO COc1cc([C@@H](C[NH3+])N2CCCCC2)cc(OC)c1OC ZINC000038809057 174155923 /nfs/dbraw/zinc/15/59/23/174155923.db2.gz ZGJLTMYKSKVVTB-CYBMUJFWSA-N 1 0 294.395 2.198 10 0 CEAERO CC1CCN([C@H](C[NH3+])c2ccc3c(c2)OCO3)CC1 ZINC000039174830 174165002 /nfs/dbraw/zinc/16/50/02/174165002.db2.gz PUHNVNHYGXSXBN-CYBMUJFWSA-N 1 0 262.353 2.147 10 0 CEAERO [NH3+][C@H]1c2cc(Br)ccc2CCC[C@@H]1O ZINC000039941520 174175600 /nfs/dbraw/zinc/17/56/00/174175600.db2.gz BZTCUTHVQHKBPV-QWRGUYRKSA-N 1 0 256.143 2.146 10 0 CEAERO CCc1nc2ccccc2n1CCC[NH+]1CCOCC1 ZINC000040389778 174252395 /nfs/dbraw/zinc/25/23/95/174252395.db2.gz YPGCATQEWXMYII-UHFFFAOYSA-N 1 0 273.380 2.321 10 0 CEAERO CC(C)(C)C[NH2+]C[C@H](O)c1ccc2c(c1)OCCO2 ZINC000040493151 174292856 /nfs/dbraw/zinc/29/28/56/174292856.db2.gz JIIGCGJQMKPBCT-LBPRGKRZSA-N 1 0 265.353 2.127 10 0 CEAERO COC(=O)[C@@H](C)C[NH2+][C@@H](C)COc1ccc(C)cc1 ZINC000040499747 174296683 /nfs/dbraw/zinc/29/66/83/174296683.db2.gz BQKPEKILXFCEDV-STQMWFEESA-N 1 0 265.353 2.161 10 0 CEAERO CCN1CCC[C@H]([NH2+]Cc2cnn(-c3ccccc3)c2)C1 ZINC000040502117 174297890 /nfs/dbraw/zinc/29/78/90/174297890.db2.gz JIOACAMOJBOGLE-INIZCTEOSA-N 1 0 284.407 2.446 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)c(N)c2)C1 ZINC000040501623 174298032 /nfs/dbraw/zinc/29/80/32/174298032.db2.gz FRYAFLFGOGEMAM-LLVKDONJSA-N 1 0 281.787 2.136 10 0 CEAERO CCN1CCC[C@@H]([NH2+]Cc2ccc(OC)cc2OC)C1 ZINC000040502016 174298399 /nfs/dbraw/zinc/29/83/99/174298399.db2.gz PNFQQTSYVMUYHB-CQSZACIVSA-N 1 0 278.396 2.278 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2cc3ccccc3c(=O)[nH]2)C1 ZINC000040503116 174299996 /nfs/dbraw/zinc/29/99/96/174299996.db2.gz VJTHTJMKJLYXJK-CYBMUJFWSA-N 1 0 271.364 2.424 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)CCCN3)C1 ZINC000040503632 174300824 /nfs/dbraw/zinc/30/08/24/174300824.db2.gz HIBNGKGVVDNGLZ-OAHLLOKOSA-N 1 0 287.407 2.259 10 0 CEAERO Cc1cc(C)c(C[NH3+])c(N(C)[C@H]2CCSC2)n1 ZINC000040509427 174303574 /nfs/dbraw/zinc/30/35/74/174303574.db2.gz DDVBLPKUNTVBEQ-NSHDSACASA-N 1 0 251.399 2.099 10 0 CEAERO Cc1cc(C)c(C(N)=S)c(OCC[C@H]2CCC[N@H+]2C)n1 ZINC000040515031 174306327 /nfs/dbraw/zinc/30/63/27/174306327.db2.gz ZNHYPJJSBYDRRT-GFCCVEGCSA-N 1 0 293.436 2.196 10 0 CEAERO CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@H](C)c1sc(C)nc1C ZINC000040519009 174308580 /nfs/dbraw/zinc/30/85/80/174308580.db2.gz BFHLVTYFJPKOKD-ZOFUNIGCSA-N 1 0 269.414 2.311 10 0 CEAERO O=C1C[C@@H](c2ccccc2)C(=O)N1CC[C@H]1CCCC[NH2+]1 ZINC000040605840 174353021 /nfs/dbraw/zinc/35/30/21/174353021.db2.gz GCGSBTNSUHWLGH-CABCVRRESA-N 1 0 286.375 2.061 10 0 CEAERO CO[C@H]1C[NH2+][C@H](C(=O)Nc2cccc(C(C)C)c2)C1 ZINC000040631288 174358319 /nfs/dbraw/zinc/35/83/19/174358319.db2.gz QUQFNSIAIINQRD-KGLIPLIRSA-N 1 0 262.353 2.125 10 0 CEAERO CCCOc1cc(C)ccc1NC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000040634287 174360310 /nfs/dbraw/zinc/36/03/10/174360310.db2.gz RLHFVSPWWPZNFU-GXTWGEPZSA-N 1 0 292.379 2.099 10 0 CEAERO CO[C@H]1C[NH2+][C@H](C(=O)Nc2ccc(OC(C)C)cc2C)C1 ZINC000040634358 174360398 /nfs/dbraw/zinc/36/03/98/174360398.db2.gz LJRLCFZGAPVNCR-HIFRSBDPSA-N 1 0 292.379 2.098 10 0 CEAERO CCSc1ccccc1NC(=O)[C@@H]1C[C@@H](OC)C[NH2+]1 ZINC000040634324 174360456 /nfs/dbraw/zinc/36/04/56/174360456.db2.gz YARVEEGCFRRLEJ-PWSUYJOCSA-N 1 0 280.393 2.114 10 0 CEAERO CO[C@@H]1C[NH2+][C@@H](C(=O)N(C)[C@@H](C)c2cccc(Cl)c2)C1 ZINC000040636832 174361681 /nfs/dbraw/zinc/36/16/81/174361681.db2.gz ZAEDWTWBWXQGKP-LEWSCRJBSA-N 1 0 296.798 2.236 10 0 CEAERO COc1ccc(-c2nc([C@H]3C[C@H](OC)C[NH2+]3)[nH]c2C)cc1 ZINC000040637668 174361790 /nfs/dbraw/zinc/36/17/90/174361790.db2.gz IKNBBIZJPMEITQ-UONOGXRCSA-N 1 0 287.363 2.443 10 0 CEAERO COc1ccc(-c2nc([C@@H]3C[C@H](OC)C[NH2+]3)[nH]c2C)cc1 ZINC000040637667 174362065 /nfs/dbraw/zinc/36/20/65/174362065.db2.gz IKNBBIZJPMEITQ-KBPBESRZSA-N 1 0 287.363 2.443 10 0 CEAERO C[C@@H]1CCC[C@](CNCC(=O)NC2CCCC2)([NH+](C)C)C1 ZINC000040669818 174368602 /nfs/dbraw/zinc/36/86/02/174368602.db2.gz QZHXBRSTEQEAPT-PBHICJAKSA-N 1 0 295.471 2.145 10 0 CEAERO CC(C)([NH2+]Cc1ccccc1C(F)(F)F)C(N)=O ZINC000040673946 174372162 /nfs/dbraw/zinc/37/21/62/174372162.db2.gz GZMBFYLSKWWATL-UHFFFAOYSA-N 1 0 260.259 2.059 10 0 CEAERO O=C1CCC[C@@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000040694269 174377992 /nfs/dbraw/zinc/37/79/92/174377992.db2.gz LGUPSTLEYIGVSB-AWEZNQCLSA-N 1 0 250.386 2.058 10 0 CEAERO NC(=[NH2+])c1ccc(Oc2ccc(CO)cc2)c(F)c1 ZINC000040711123 174381347 /nfs/dbraw/zinc/38/13/47/174381347.db2.gz DBJVJCNWRWGFNL-UHFFFAOYSA-N 1 0 260.268 2.394 10 0 CEAERO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(F)cc2N)C1 ZINC000040716772 174384154 /nfs/dbraw/zinc/38/41/54/174384154.db2.gz NNPIRCYVVCYKIA-SNVBAGLBSA-N 1 0 265.332 2.078 10 0 CEAERO C[C@H]1CC[N@H+](CCCC(=O)Nc2ccc(F)c(N)c2)C1 ZINC000040716775 174384194 /nfs/dbraw/zinc/38/41/94/174384194.db2.gz OURKTGANTUTSPS-NSHDSACASA-N 1 0 279.359 2.468 10 0 CEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N2CC[C@H](C)C2)cc1 ZINC000040725536 174387029 /nfs/dbraw/zinc/38/70/29/174387029.db2.gz ZXLZIHAFYBHQRW-ZDUSSCGKSA-N 1 0 296.436 2.217 10 0 CEAERO CC(C)c1ccc(Oc2nc[nH+]c(NN)c2N)cc1 ZINC000040727441 174387814 /nfs/dbraw/zinc/38/78/14/174387814.db2.gz SODGOZMYOPSONZ-UHFFFAOYSA-N 1 0 259.313 2.260 10 0 CEAERO Cc1nn(CCOc2ccc(CC[NH3+])cc2)c(C)c1C ZINC000040729014 174388154 /nfs/dbraw/zinc/38/81/54/174388154.db2.gz VIWVENRXDVHKJG-UHFFFAOYSA-N 1 0 273.380 2.389 10 0 CEAERO Cc1nn([C@H](C)C(=O)Nc2cccc(C[NH3+])c2)c(C)c1C ZINC000040729168 174388442 /nfs/dbraw/zinc/38/84/42/174388442.db2.gz YMYPWIDPOWYNKI-CYBMUJFWSA-N 1 0 286.379 2.467 10 0 CEAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc2ccccc2[nH]1 ZINC000040740515 174390568 /nfs/dbraw/zinc/39/05/68/174390568.db2.gz ZDZYOISWRFDMSP-FUNVUKJBSA-N 1 0 269.348 2.181 10 0 CEAERO CCCN(C(=O)NC(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747956 174393254 /nfs/dbraw/zinc/39/32/54/174393254.db2.gz GJZUDWYBNNJFKJ-FUNVUKJBSA-N 1 0 253.390 2.099 10 0 CEAERO O=C(C[NH2+]CC1CC1)NCC12CC3CC(CC(C3)C1)C2 ZINC000040850596 174420075 /nfs/dbraw/zinc/42/00/75/174420075.db2.gz GUXIOQKPRXGVBV-UHFFFAOYSA-N 1 0 276.424 2.319 10 0 CEAERO CC(C)([NH3+])c1cn(Cc2cc(-c3ccccc3)no2)nn1 ZINC000070118351 414765298 /nfs/dbraw/zinc/76/52/98/414765298.db2.gz OFXTUVLFUBPJNN-UHFFFAOYSA-N 1 0 283.335 2.175 10 0 CEAERO CC(C)([NH3+])CCC(=O)N[C@@H]1CCOc2ccccc21 ZINC000070087111 414765735 /nfs/dbraw/zinc/76/57/35/414765735.db2.gz FWSKTBPIRBAYMY-GFCCVEGCSA-N 1 0 262.353 2.144 10 0 CEAERO CC(C)([NH3+])c1cn(CCCOc2ccc(F)cc2)nn1 ZINC000070117894 414766630 /nfs/dbraw/zinc/76/66/30/414766630.db2.gz XMMAFXYKYCAMPJ-UHFFFAOYSA-N 1 0 278.331 2.080 10 0 CEAERO CC(C)c1ccc(CN2CC[C@@H]3OCC[NH2+][C@@H]3C2)cc1 ZINC000404061571 414771298 /nfs/dbraw/zinc/77/12/98/414771298.db2.gz DFCNHXMNXGVCCG-SJORKVTESA-N 1 0 274.408 2.373 10 0 CEAERO Fc1cccc(Cl)c1CN1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404276186 414779124 /nfs/dbraw/zinc/77/91/24/414779124.db2.gz RYNSSRZULIIXLR-KBPBESRZSA-N 1 0 284.762 2.042 10 0 CEAERO C[C@@H](NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)C(C)(C)C ZINC000115827861 414779866 /nfs/dbraw/zinc/77/98/66/414779866.db2.gz CEJXNKIDWRVLFF-CHWSQXEVSA-N 1 0 269.433 2.404 10 0 CEAERO [NH3+]Cc1ccc(NC(=O)[C@@H]2CCCO2)c(C(F)(F)F)c1 ZINC000041114372 174483688 /nfs/dbraw/zinc/48/36/88/174483688.db2.gz SHTUSTXUZHPAHZ-NSHDSACASA-N 1 0 288.269 2.282 10 0 CEAERO Cc1nc(C2(NC(C)C)CC[NH2+]CC2)sc1C ZINC000041196737 174509317 /nfs/dbraw/zinc/50/93/17/174509317.db2.gz XVWNQPSRUUBQOX-UHFFFAOYSA-N 1 0 253.415 2.337 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@@H]1CC2CCC1CC2 ZINC000400120805 414747332 /nfs/dbraw/zinc/74/73/32/414747332.db2.gz WOMNYVVSDNBFKL-IIZVFWCOSA-N 1 0 264.413 2.317 10 0 CEAERO C[C@@H]1CN(C(=O)[C@@]2(C)CCC[NH2+]2)CCc2ccccc21 ZINC000404870986 414791238 /nfs/dbraw/zinc/79/12/38/414791238.db2.gz UPBXFBYDLSLVPT-CXAGYDPISA-N 1 0 272.392 2.317 10 0 CEAERO CCCc1nsc(N2CC[C@@H]([NH3+])[C@H](CC)C2)n1 ZINC000123022002 414792330 /nfs/dbraw/zinc/79/23/30/414792330.db2.gz DKXTTZOXRHRGIM-NXEZZACHSA-N 1 0 254.403 2.054 10 0 CEAERO CC[C@H]1CN(c2nc(C(C)C)ns2)CC[C@@H]1[NH3+] ZINC000123006435 414792838 /nfs/dbraw/zinc/79/28/38/414792838.db2.gz AIVMMDGAZHKIRN-UWVGGRQHSA-N 1 0 254.403 2.225 10 0 CEAERO CN(C(=O)CC1CCCCC1)[C@@H](C[NH3+])C(F)(F)F ZINC000662977943 414816943 /nfs/dbraw/zinc/81/69/43/414816943.db2.gz NOLBCNDSBVELTO-JTQLQIEISA-N 1 0 266.307 2.305 10 0 CEAERO [NH3+]C[C@]12CCC[C@H]1CN(c1nc3ccccc3[nH]1)C2 ZINC000311442334 414861149 /nfs/dbraw/zinc/86/11/49/414861149.db2.gz GUTLOOMTXYEDII-NHYWBVRUSA-N 1 0 256.353 2.128 10 0 CEAERO CCCCC[C@@H](C)[NH2+]C[C@@H](O)COCCOC(C)C ZINC000042257796 174668183 /nfs/dbraw/zinc/66/81/83/174668183.db2.gz PEJYDIAYGHICPT-HUUCEWRRSA-N 1 0 275.433 2.347 10 0 CEAERO COCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC000042337299 174690163 /nfs/dbraw/zinc/69/01/63/174690163.db2.gz ZZZIHGQWJMYVQG-UONOGXRCSA-N 1 0 278.396 2.187 10 0 CEAERO O[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)c(F)c1F ZINC000657360448 414885779 /nfs/dbraw/zinc/88/57/79/414885779.db2.gz HPLKFYPRRIKZMZ-MNOVXSKESA-N 1 0 259.271 2.497 10 0 CEAERO CCCN(CC1CC1)C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653057548 414892176 /nfs/dbraw/zinc/89/21/76/414892176.db2.gz GYGPOWCRILNCFA-GHMZBOCLSA-N 1 0 278.318 2.033 10 0 CEAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(F)c(F)c1F ZINC000657377294 414898224 /nfs/dbraw/zinc/89/82/24/414898224.db2.gz BSEXWQAVUZWVEQ-KWQFWETISA-N 1 0 259.271 2.355 10 0 CEAERO CO[C@@H]1C[NH2+][C@@H](CN(C)Cc2ccccc2Cl)C1 ZINC000042437629 174732332 /nfs/dbraw/zinc/73/23/32/174732332.db2.gz WSYIAWXYWMMVRD-OLZOCXBDSA-N 1 0 268.788 2.149 10 0 CEAERO [NH3+]Cc1cc(F)ccc1N(CCO)C1CCCC1 ZINC000042512178 174764904 /nfs/dbraw/zinc/76/49/04/174764904.db2.gz QWCIUQHLSZKBMV-UHFFFAOYSA-N 1 0 252.333 2.026 10 0 CEAERO CN1C[C@H](C[NH2+]Cc2ccccc2C(F)(F)F)CC1=O ZINC000657695237 415050491 /nfs/dbraw/zinc/05/04/91/415050491.db2.gz WPSDKLXEBMDPBB-JTQLQIEISA-N 1 0 286.297 2.273 10 0 CEAERO COc1cc(C[NH2+]C2CC(CO)C2)cc(Cl)c1OC ZINC000657808509 415086860 /nfs/dbraw/zinc/08/68/60/415086860.db2.gz JBOKGWWSHXARRJ-UHFFFAOYSA-N 1 0 285.771 2.218 10 0 CEAERO COCc1nc(C[NH2+]CCc2ccoc2)cs1 ZINC000657653697 415038467 /nfs/dbraw/zinc/03/84/67/415038467.db2.gz NGRPELFQKBTIEG-UHFFFAOYSA-N 1 0 252.339 2.215 10 0 CEAERO COCCCN(CCOC)[C@@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000042972844 174936683 /nfs/dbraw/zinc/93/66/83/174936683.db2.gz QSUDFYYNUHVRDI-CZUORRHYSA-N 1 0 298.402 2.199 10 0 CEAERO C[C@@H]([NH3+])[C@H](Sc1nncn1C)c1cccc(F)c1 ZINC000042974478 174937680 /nfs/dbraw/zinc/93/76/80/174937680.db2.gz QBRWTYXALQXDNP-KCJUWKMLSA-N 1 0 266.345 2.135 10 0 CEAERO C[C@@H]([NH3+])[C@H](Sc1nnnn1C)c1cccc(Cl)c1 ZINC000043018932 174944377 /nfs/dbraw/zinc/94/43/77/174944377.db2.gz PFUCTFYICNBNIP-XCBNKYQSSA-N 1 0 283.788 2.044 10 0 CEAERO CC[C@@H]1CN([C@@H](c2ccccc2C)[C@@H](C)[NH3+])CCO1 ZINC000043034926 174950357 /nfs/dbraw/zinc/95/03/57/174950357.db2.gz OJGXTDVZYDTHKF-IIAWOOMASA-N 1 0 262.397 2.494 10 0 CEAERO CCc1c(C)nn([C@H](c2cnn(C)c2)[C@H]([NH3+])CC)c1C ZINC000043232895 174986534 /nfs/dbraw/zinc/98/65/34/174986534.db2.gz BZTYLJHNCPHKQP-HUUCEWRRSA-N 1 0 275.400 2.123 10 0 CEAERO CC(=O)Nc1ccc(S[C@@H](C[NH3+])c2cnn(C)c2)cc1 ZINC000043237569 174988038 /nfs/dbraw/zinc/98/80/38/174988038.db2.gz ZWJURGXUICMZTE-AWEZNQCLSA-N 1 0 290.392 2.171 10 0 CEAERO Cc1cc(C)c([C@@H]([NH3+])[C@@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000043300046 175001194 /nfs/dbraw/zinc/00/11/94/175001194.db2.gz SILVORKIXSAGPU-OCCSQVGLSA-N 1 0 267.394 2.046 10 0 CEAERO CC[NH2+][C@@H](c1ccccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000043300999 175001683 /nfs/dbraw/zinc/00/16/83/175001683.db2.gz GDFNNMLHEGKANM-GXTWGEPZSA-N 1 0 267.394 2.080 10 0 CEAERO CCC[NH2+][C@H](c1ccccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000043301252 175002001 /nfs/dbraw/zinc/00/20/01/175002001.db2.gz REJYIUZJSWPQDX-FZMZJTMJSA-N 1 0 285.384 2.301 10 0 CEAERO CC[NH2+][C@@H](c1cc(C)ccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000043301105 175002020 /nfs/dbraw/zinc/00/20/20/175002020.db2.gz BVBMGSQEISGMDC-UKRRQHHQSA-N 1 0 281.421 2.389 10 0 CEAERO C[NH2+]Cc1cccc(NC(=O)c2cc(OC)ccc2O)c1 ZINC000043327895 175009328 /nfs/dbraw/zinc/00/93/28/175009328.db2.gz VRCCGPHJLFLOFI-UHFFFAOYSA-N 1 0 286.331 2.373 10 0 CEAERO CCOC1CCN([C@@H](c2ccco2)[C@H](C)[NH3+])CC1 ZINC000043335489 175011260 /nfs/dbraw/zinc/01/12/60/175011260.db2.gz DOOSJNDQYWAEFC-SMDDNHRTSA-N 1 0 252.358 2.169 10 0 CEAERO CCC(CC)N(CCO)[C@@H](c1ccco1)[C@@H](C)[NH3+] ZINC000043336127 175011685 /nfs/dbraw/zinc/01/16/85/175011685.db2.gz ZDKSGFBEDYKNDM-BXUZGUMPSA-N 1 0 254.374 2.151 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccco1)N(CC)[C@@H](C)COC ZINC000043336291 175011746 /nfs/dbraw/zinc/01/17/46/175011746.db2.gz NJECBXIMMJSFLS-OBJOEFQTSA-N 1 0 254.374 2.415 10 0 CEAERO [NH3+]C[C@H](c1ccccn1)N1CCC[C@@H]1c1cccnc1 ZINC000043339363 175013707 /nfs/dbraw/zinc/01/37/07/175013707.db2.gz MVRASFKTZRBIBU-HZPDHXFCSA-N 1 0 268.364 2.314 10 0 CEAERO C[C@@H]([NH3+])[C@H](Oc1ccc(CO)cc1)c1ccccn1 ZINC000043343990 175016375 /nfs/dbraw/zinc/01/63/75/175016375.db2.gz XBPBOQKIQAWYEC-ABAIWWIYSA-N 1 0 258.321 2.041 10 0 CEAERO CCOC1CCN([C@H](c2cccnc2)[C@H]([NH3+])CC)CC1 ZINC000043347178 175017748 /nfs/dbraw/zinc/01/77/48/175017748.db2.gz BPDINRYHXPKBGC-HZPDHXFCSA-N 1 0 277.412 2.361 10 0 CEAERO CCN(Cc1ccncc1)[C@@H](c1cccnc1)[C@@H](C)[NH3+] ZINC000043347736 175018188 /nfs/dbraw/zinc/01/81/88/175018188.db2.gz CMMPPQVXEBSPCA-CZUORRHYSA-N 1 0 270.380 2.387 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccncc1)N(C)Cc1cc(C)on1 ZINC000043353756 175020697 /nfs/dbraw/zinc/02/06/97/175020697.db2.gz WYVGCPPLVCXKJX-CABCVRRESA-N 1 0 274.368 2.288 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccncc1)N(C)[C@@H]1CCSC1 ZINC000043353370 175021034 /nfs/dbraw/zinc/02/10/34/175021034.db2.gz OFTGXNZPFPXGCQ-MCIONIFRSA-N 1 0 265.426 2.297 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccncc1)N(CCO)C1CCCCC1 ZINC000043354618 175022379 /nfs/dbraw/zinc/02/23/79/175022379.db2.gz PAROMTZHMJTHDS-SJORKVTESA-N 1 0 291.439 2.487 10 0 CEAERO Cc1ncsc1CCO[C@@H](c1ccncc1)[C@H](C)[NH3+] ZINC000043355733 175023129 /nfs/dbraw/zinc/02/31/29/175023129.db2.gz MCUUJOOZPDHOLZ-IINYFYTJSA-N 1 0 277.393 2.494 10 0 CEAERO C[C@H]([NH3+])[C@H](Sc1nncs1)c1ccncc1 ZINC000043363244 175023941 /nfs/dbraw/zinc/02/39/41/175023941.db2.gz GWNAHNWGWXTVIV-CBAPKCEASA-N 1 0 252.368 2.114 10 0 CEAERO CCOC(=O)CS[C@H](c1ccc(C)o1)[C@H](C)[NH3+] ZINC000043367624 175027863 /nfs/dbraw/zinc/02/78/63/175027863.db2.gz KPNFJSZBUCGFBB-CABZTGNLSA-N 1 0 257.355 2.273 10 0 CEAERO CC[C@@H]([NH3+])[C@H](N(CCOC)CC(C)C)C(F)(F)F ZINC000043378664 175030846 /nfs/dbraw/zinc/03/08/46/175030846.db2.gz HZQPGRWFXXLUBI-MNOVXSKESA-N 1 0 270.339 2.259 10 0 CEAERO CC[C@H]([NH3+])[C@H](N(C)Cc1cscn1)C(F)(F)F ZINC000043379304 175030944 /nfs/dbraw/zinc/03/09/44/175030944.db2.gz NSNIWKDWSKWPBQ-IUCAKERBSA-N 1 0 267.320 2.243 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1ncccn1)C(F)(F)F ZINC000043385961 175032179 /nfs/dbraw/zinc/03/21/79/175032179.db2.gz JWJFUPOGJCBRQC-NKWVEPMBSA-N 1 0 251.277 2.237 10 0 CEAERO COCCN([C@H](C[NH3+])c1cc(C)cc(C)c1)C1CC1 ZINC000043394432 175035038 /nfs/dbraw/zinc/03/50/38/175035038.db2.gz CBNPXLAMTDSKLL-MRXNPFEDSA-N 1 0 262.397 2.414 10 0 CEAERO CC[C@H](C)N(CCOC)c1nc2c(cc1C(N)=[NH2+])CCC2 ZINC000043406795 175037108 /nfs/dbraw/zinc/03/71/08/175037108.db2.gz VCTWJQXVPUVNQV-NSHDSACASA-N 1 0 290.411 2.106 10 0 CEAERO Fc1ccc2c(c1)nc([C@@H]1C[NH2+]CCO1)n2C1CC1 ZINC000043705087 175099333 /nfs/dbraw/zinc/09/93/33/175099333.db2.gz YEZYIULNABOZCC-ZDUSSCGKSA-N 1 0 261.300 2.171 10 0 CEAERO C[NH2+][C@H](c1ccccc1)[C@H](C(C)C)N1CCOCC1 ZINC000043808015 175108953 /nfs/dbraw/zinc/10/89/53/175108953.db2.gz XJLXDMOUMXOJJJ-CVEARBPZSA-N 1 0 262.397 2.304 10 0 CEAERO CC[NH2+][C@@H](CN(CC)CC)c1ccc2c(c1)OCCO2 ZINC000043809292 175109350 /nfs/dbraw/zinc/10/93/50/175109350.db2.gz QCZITSGEKQXBHF-AWEZNQCLSA-N 1 0 278.396 2.450 10 0 CEAERO C[NH2+][C@H]1CCC2(C[C@@H]1N(C)C1CCCCC1)OCCO2 ZINC000043815016 175111745 /nfs/dbraw/zinc/11/17/45/175111745.db2.gz KYALIEXRPOKIDZ-GJZGRUSLSA-N 1 0 282.428 2.135 10 0 CEAERO C[NH2+][C@H]1CCC2(C[C@@H]1N1CCCCCCC1)OCCO2 ZINC000043819096 175113954 /nfs/dbraw/zinc/11/39/54/175113954.db2.gz SHVIBJNRFAVOOP-GJZGRUSLSA-N 1 0 282.428 2.136 10 0 CEAERO CC[NH2+][C@@H](CN(C)CC)c1ccc2c(c1)OCCCO2 ZINC000043820554 175114161 /nfs/dbraw/zinc/11/41/61/175114161.db2.gz OIIAWBOINJAQSX-AWEZNQCLSA-N 1 0 278.396 2.450 10 0 CEAERO CC[C@@H]1CC[C@@H]([NH2+]C)[C@H](N2CCC(OC)CC2)C1 ZINC000043889939 175117543 /nfs/dbraw/zinc/11/75/43/175117543.db2.gz LVQGZNMKOKZLHO-BPLDGKMQSA-N 1 0 254.418 2.264 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2CC[C@@H]1N1CCC(OC)CC1 ZINC000043890086 175117593 /nfs/dbraw/zinc/11/75/93/175117593.db2.gz ZCQVYWYSBCUNRK-DLBZAZTESA-N 1 0 274.408 2.373 10 0 CEAERO CCC[C@@H]1CC[C@H]([NH2+]C)[C@H](N2CCOC[C@@H]2C)C1 ZINC000043891298 175118099 /nfs/dbraw/zinc/11/80/99/175118099.db2.gz QRZFHDGFLWUEFY-LJISPDSOSA-N 1 0 254.418 2.264 10 0 CEAERO CCOc1ccccc1[C@H](CN1CCO[C@@H](CC)C1)[NH2+]C ZINC000043892890 175118411 /nfs/dbraw/zinc/11/84/11/175118411.db2.gz LBXCBRGUOBLYOV-HOCLYGCPSA-N 1 0 292.423 2.457 10 0 CEAERO CCOc1ccc([C@H](CN2CCO[C@@H](CC)C2)[NH2+]C)cc1 ZINC000043892851 175118802 /nfs/dbraw/zinc/11/88/02/175118802.db2.gz XDEBTWBQIYTDIF-RDJZCZTQSA-N 1 0 292.423 2.457 10 0 CEAERO CCC[NH2+][C@H]1CCCC[C@H]1N1CCOC(C)(C)C1 ZINC000043898061 175121082 /nfs/dbraw/zinc/12/10/82/175121082.db2.gz DOQZFMUWSJHXBH-UONOGXRCSA-N 1 0 254.418 2.408 10 0 CEAERO CC[NH2+][C@H]1CCCCC[C@H]1N1CCOC[C@@H]1CC ZINC000043899144 175121868 /nfs/dbraw/zinc/12/18/68/175121868.db2.gz ARJIPBVZKXGMLJ-SOUVJXGZSA-N 1 0 254.418 2.408 10 0 CEAERO CCC[NH2+][C@@H]1CCOC[C@H]1N(C)Cc1ccccc1F ZINC000043910889 175123893 /nfs/dbraw/zinc/12/38/93/175123893.db2.gz WGOGLGCDGAWVDC-HZPDHXFCSA-N 1 0 280.387 2.415 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2CCC[C@@H]1N(C)CCOC ZINC000043915170 175124196 /nfs/dbraw/zinc/12/41/96/175124196.db2.gz BVURQTZWDDYPRS-JKSUJKDBSA-N 1 0 262.397 2.230 10 0 CEAERO CCc1ccc([C@H]([NH2+]C)[C@@H](C)N(C)CCOC)cc1 ZINC000043915616 175125286 /nfs/dbraw/zinc/12/52/86/175125286.db2.gz FYFUWXUQQLRHSK-CZUORRHYSA-N 1 0 264.413 2.476 10 0 CEAERO C[NH2+][C@H](CN1CCOCC1(C)C)c1cccc(OC)c1 ZINC000043916696 175125679 /nfs/dbraw/zinc/12/56/79/175125679.db2.gz PIINLEIDULYRBQ-OAHLLOKOSA-N 1 0 278.396 2.067 10 0 CEAERO CC[C@@H]1CC[C@H]([NH2+]C)[C@H](N2CCOCC2(C)C)C1 ZINC000043916655 175125872 /nfs/dbraw/zinc/12/58/72/175125872.db2.gz FGHBBXMHXXUNAZ-HZSPNIEDSA-N 1 0 254.418 2.264 10 0 CEAERO CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N1CCOCC1(C)C ZINC000043916945 175125899 /nfs/dbraw/zinc/12/58/99/175125899.db2.gz JMPMZWVBERGFMW-MCIONIFRSA-N 1 0 254.418 2.264 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2C[C@@H]1N(C)C[C@@H]1CCCCO1 ZINC000043966415 175127724 /nfs/dbraw/zinc/12/77/24/175127724.db2.gz BYTQSLSSLOQACS-BHYGNILZSA-N 1 0 274.408 2.373 10 0 CEAERO CCC[NH2+][C@H]1CCOC[C@@H]1N(CCC)CC1CC1 ZINC000043967500 175128472 /nfs/dbraw/zinc/12/84/72/175128472.db2.gz MAMUOBUECJCCQP-GJZGRUSLSA-N 1 0 254.418 2.266 10 0 CEAERO CCc1ccc([C@@H](CN(C)Cc2cnn(C)c2)[NH2+]C)cc1 ZINC000043967193 175128622 /nfs/dbraw/zinc/12/86/22/175128622.db2.gz PUZSPZAGURLYII-QGZVFWFLSA-N 1 0 286.423 2.375 10 0 CEAERO CC[NH2+][C@@H](CN(CC)CCOC)c1ccc(OC)cc1 ZINC000043968641 175129422 /nfs/dbraw/zinc/12/94/22/175129422.db2.gz QKXAEUXDXAHGLJ-INIZCTEOSA-N 1 0 280.412 2.314 10 0 CEAERO CC[NH2+][C@@H]1CCOC[C@H]1N(C)CC1CCCCC1 ZINC000043968285 175129946 /nfs/dbraw/zinc/12/99/46/175129946.db2.gz BLOUQTBJRFTCFU-HUUCEWRRSA-N 1 0 254.418 2.266 10 0 CEAERO CC[NH2+][C@@H](CN(C)[C@@H](C)COC)c1ccccc1 ZINC000043969159 175130165 /nfs/dbraw/zinc/13/01/65/175130165.db2.gz XUEMTNGFVOVESJ-ZFWWWQNUSA-N 1 0 250.386 2.304 10 0 CEAERO C[NH2+][C@@H](CN(CCOC)C1CC1)c1cccc(OC)c1 ZINC000043969693 175130225 /nfs/dbraw/zinc/13/02/25/175130225.db2.gz DBXQSMLNOABULK-INIZCTEOSA-N 1 0 278.396 2.067 10 0 CEAERO CCOc1ccccc1[C@H](CN(C)[C@@H](C)COC)[NH2+]C ZINC000043969102 175130790 /nfs/dbraw/zinc/13/07/90/175130790.db2.gz VWFRSLNVENSIKG-ZFWWWQNUSA-N 1 0 280.412 2.313 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2OC[C@H]1N(CCOC)C1CC1 ZINC000043970016 175131103 /nfs/dbraw/zinc/13/11/03/175131103.db2.gz WBFJOFAVGRMQJD-NVXWUHKLSA-N 1 0 290.407 2.209 10 0 CEAERO CC[NH2+][C@@H]1CCCCC[C@H]1N(CCCOC)CCOC ZINC000043970977 175131763 /nfs/dbraw/zinc/13/17/63/175131763.db2.gz QTMAYHYNPZESGE-HZPDHXFCSA-N 1 0 286.460 2.282 10 0 CEAERO Cc1nc(CN(C)C(=O)[C@@H]([NH3+])c2ccccc2)cs1 ZINC000044609761 175216519 /nfs/dbraw/zinc/21/65/19/175216519.db2.gz BGERAZPPLYHXGY-ZDUSSCGKSA-N 1 0 275.377 2.110 10 0 CEAERO [NH3+][C@H]1CCCc2cc(OCC(=O)N3CCCC3)ccc21 ZINC000044745011 175241624 /nfs/dbraw/zinc/24/16/24/175241624.db2.gz WILMTADVNLXYIP-HNNXBMFYSA-N 1 0 274.364 2.024 10 0 CEAERO CCC[NH2+][C@H]1CCCc2cc(OCCC(N)=O)ccc21 ZINC000044745710 175241823 /nfs/dbraw/zinc/24/18/23/175241823.db2.gz HVYXTVNNEUHXHQ-HNNXBMFYSA-N 1 0 276.380 2.318 10 0 CEAERO O=C(CC[NH2+][C@H]1CCCc2cc(O)ccc21)N1CCCC1 ZINC000044746860 175242424 /nfs/dbraw/zinc/24/24/24/175242424.db2.gz UQWSMYFBRHSRDL-INIZCTEOSA-N 1 0 288.391 2.372 10 0 CEAERO C[C@@H](CN1CCCC1=O)[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000044747388 175242939 /nfs/dbraw/zinc/24/29/39/175242939.db2.gz IODGUQDFIYYSJM-BLLLJJGKSA-N 1 0 288.391 2.370 10 0 CEAERO CCC(CC)(C[NH3+])C(=O)Nc1cc(OC)ccc1OC ZINC000044762173 175246273 /nfs/dbraw/zinc/24/62/73/175246273.db2.gz XOVIQBVDPJSSKA-UHFFFAOYSA-N 1 0 280.368 2.407 10 0 CEAERO CCC(CC)N(CCO)C(=O)C1(C[NH3+])CCCCCC1 ZINC000044764084 175248243 /nfs/dbraw/zinc/24/82/43/175248243.db2.gz WWRBNMJPSVBEJP-UHFFFAOYSA-N 1 0 284.444 2.295 10 0 CEAERO CCN(C(=O)C1(C[NH3+])CCCCCC1)[C@@H](C)COC ZINC000044764247 175248277 /nfs/dbraw/zinc/24/82/77/175248277.db2.gz YDOOFVUGEOBBKE-ZDUSSCGKSA-N 1 0 270.417 2.169 10 0 CEAERO CC1CCN(C(=O)[C@H](C[NH3+])Cc2ccccc2)CC1 ZINC000044795200 175254700 /nfs/dbraw/zinc/25/47/00/175254700.db2.gz ZNNKJBHWHQGATK-HNNXBMFYSA-N 1 0 260.381 2.063 10 0 CEAERO CNC(=O)CC[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000044990067 175286146 /nfs/dbraw/zinc/28/61/46/175286146.db2.gz NHCPPLIUSXYRTG-LLVKDONJSA-N 1 0 268.357 2.088 10 0 CEAERO CCCNC(=O)CC[NH2+][C@H]1CCOc2ccccc21 ZINC000045072260 175301681 /nfs/dbraw/zinc/30/16/81/175301681.db2.gz KYTHAHKFFRPRKZ-ZDUSSCGKSA-N 1 0 262.353 2.016 10 0 CEAERO C[N@H+](CC(=O)Nc1ccc(C(N)=S)cc1)CC(C)(C)C ZINC000045073786 175302515 /nfs/dbraw/zinc/30/25/15/175302515.db2.gz YQYOMZXADSPARE-UHFFFAOYSA-N 1 0 293.436 2.237 10 0 CEAERO CCCCOCCNC(=O)C(C[NH3+])(CCC)CCC ZINC000045107979 175308274 /nfs/dbraw/zinc/30/82/74/175308274.db2.gz ZGSCBXCMVNLBFB-UHFFFAOYSA-N 1 0 272.433 2.465 10 0 CEAERO Nc1ccc2c(c1)C[N@@H+](CCCCn1ccnc1)C2 ZINC000045109246 175309594 /nfs/dbraw/zinc/30/95/94/175309594.db2.gz OTIHOHCIDWKYEZ-UHFFFAOYSA-N 1 0 256.353 2.261 10 0 CEAERO CC(C)c1ccc([C@@H](O)C[NH2+]CCc2nccn2C)cc1 ZINC000045134408 175313128 /nfs/dbraw/zinc/31/31/28/175313128.db2.gz OYORAUINSDCYOK-INIZCTEOSA-N 1 0 287.407 2.409 10 0 CEAERO Cc1nn(C)c(C)c1-c1nn(-c2cc[nH+]cc2)cc1C=O ZINC000045168437 175319881 /nfs/dbraw/zinc/31/98/81/175319881.db2.gz GUFDRXJKKPWKPZ-UHFFFAOYSA-N 1 0 281.319 2.097 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]CCn2cccn2)c1C ZINC000045172294 175321607 /nfs/dbraw/zinc/32/16/07/175321607.db2.gz WMMJCCOLUGYRGQ-NSHDSACASA-N 1 0 261.373 2.067 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000045172120 175321916 /nfs/dbraw/zinc/32/19/16/175321916.db2.gz BXYRLEODUXWIOC-DOMZBBRYSA-N 1 0 278.444 2.418 10 0 CEAERO CS(=O)(=O)c1ccc(CNc2cc[nH+]cc2)cc1 ZINC000045173865 175322872 /nfs/dbraw/zinc/32/28/72/175322872.db2.gz ZRDPQDYWRUQITR-UHFFFAOYSA-N 1 0 262.334 2.097 10 0 CEAERO CCN(C[C@](C)([NH2+]C(C)C)C(N)=O)c1ccccc1C ZINC000045223026 175331666 /nfs/dbraw/zinc/33/16/66/175331666.db2.gz AUOVJFKGHSJMNU-INIZCTEOSA-N 1 0 277.412 2.063 10 0 CEAERO CCC[NH+](CCC)C[C@](C)(NC(C)C)C(=O)OC ZINC000045230349 175334696 /nfs/dbraw/zinc/33/46/96/175334696.db2.gz MPNAHTZMHBEFHO-AWEZNQCLSA-N 1 0 258.406 2.038 10 0 CEAERO CCC[NH2+][C@](C)(CC[N@H+]1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000045231863 175335780 /nfs/dbraw/zinc/33/57/80/175335780.db2.gz FUSOXYJGYXOKBH-VNHYZAJKSA-N 1 0 270.417 2.482 10 0 CEAERO CCC[N@H+](C)CC[C@@](C)(NC(C)C)C(=O)OCC ZINC000045264528 175338175 /nfs/dbraw/zinc/33/81/75/175338175.db2.gz DSTLLWABYRDOCK-CQSZACIVSA-N 1 0 258.406 2.038 10 0 CEAERO CC[N@H+](C)C[C@](NC(C)C)(C(=O)OC)c1ccccc1 ZINC000045264629 175338288 /nfs/dbraw/zinc/33/82/88/175338288.db2.gz OGEREQIBLBNOIL-MRXNPFEDSA-N 1 0 278.396 2.005 10 0 CEAERO CCCN[C@](C)(CC[N@H+](C)C1CCCC1)C(=O)OC ZINC000045266269 175339070 /nfs/dbraw/zinc/33/90/70/175339070.db2.gz RDVLOVAGBLIACJ-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CC[N@H+](CC[C@@](C)([NH2+]C1CC1)C(=O)[O-])C1CCCC1 ZINC000045269272 175340708 /nfs/dbraw/zinc/34/07/08/175340708.db2.gz LJOFUGKZFIWLGU-OAHLLOKOSA-N 1 0 268.401 2.236 10 0 CEAERO CCOC(=O)[C@](C)(CC[N@H+](CC)C1CCCC1)NC ZINC000045269290 175340823 /nfs/dbraw/zinc/34/08/23/175340823.db2.gz TWTCHQXVSMMIBX-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CCOC(=O)[C@](C)(C[NH+](CC(C)C)CC(C)C)NC ZINC000045273770 175343887 /nfs/dbraw/zinc/34/38/87/175343887.db2.gz MVNWLACCHABYJK-HNNXBMFYSA-N 1 0 272.433 2.142 10 0 CEAERO CN[C@](C)(CC[NH+](CC(C)C)CC(C)C)C(=O)OC ZINC000045273837 175344454 /nfs/dbraw/zinc/34/44/54/175344454.db2.gz CAUKONDOIVJNOE-OAHLLOKOSA-N 1 0 272.433 2.142 10 0 CEAERO CCOC(=O)[C@@](C)(N)CC[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045277407 175347047 /nfs/dbraw/zinc/34/70/47/175347047.db2.gz SLHRVEKGXMNWDI-ZBFHGGJFSA-N 1 0 282.428 2.312 10 0 CEAERO CCN[C@](C)(C[N@H+](C)C1CCC(C)CC1)C(=O)OC ZINC000045280534 175350446 /nfs/dbraw/zinc/35/04/46/175350446.db2.gz QIJIRQHZPNCKJU-SSDMNJCBSA-N 1 0 270.417 2.038 10 0 CEAERO CCOC(=O)[C@@](C)(N)C[N@H+](C)C1CCC(CC)CC1 ZINC000045281089 175351655 /nfs/dbraw/zinc/35/16/55/175351655.db2.gz BPUOJUMNMKXGLX-PIMMBPRGSA-N 1 0 270.417 2.168 10 0 CEAERO COC(=O)[C@@](C)([NH3+])CCCCN1c2ccccc2C[C@@H]1C ZINC000045369003 175363880 /nfs/dbraw/zinc/36/38/80/175363880.db2.gz AMNJSQJRESDPFK-GUYCJALGSA-N 1 0 290.407 2.498 10 0 CEAERO CCCC[N@H+](CC)CCC[C@](C)([NH2+]CC)C(=O)[O-] ZINC000045370587 175364268 /nfs/dbraw/zinc/36/42/68/175364268.db2.gz MNXKFIGHHMKFOB-AWEZNQCLSA-N 1 0 258.406 2.341 10 0 CEAERO COC(=O)[C@@](C)(N)CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000045373270 175365127 /nfs/dbraw/zinc/36/51/27/175365127.db2.gz LYWMURHBHKTUGG-GUTXKFCHSA-N 1 0 270.417 2.025 10 0 CEAERO CCN[C@](C)(CCC[NH+]1CCC(C)CC1)C(=O)OCC ZINC000045374972 175365680 /nfs/dbraw/zinc/36/56/80/175365680.db2.gz WUJXLZSSIRUYHM-MRXNPFEDSA-N 1 0 284.444 2.430 10 0 CEAERO CCOC(=O)[C@](C)(CCC[NH+](CC)CC)NC1CC1 ZINC000045375953 175366143 /nfs/dbraw/zinc/36/61/43/175366143.db2.gz DZTOQNLOROKLDK-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CCC[NH2+][C@](C)(CCCC[NH+](CC)CC)C(=O)[O-] ZINC000045375809 175366510 /nfs/dbraw/zinc/36/65/10/175366510.db2.gz QYTKKXZOLJTBNP-CQSZACIVSA-N 1 0 258.406 2.341 10 0 CEAERO CC[NH+](CC)CCCC[C@](C)(NC(C)C)C(=O)OC ZINC000045375862 175366546 /nfs/dbraw/zinc/36/65/46/175366546.db2.gz ORDLFPZWSNDUDG-HNNXBMFYSA-N 1 0 272.433 2.428 10 0 CEAERO CCOC(=O)[C@@](C)(CCC[NH+]1CCCCCC1)NC ZINC000045377521 175367075 /nfs/dbraw/zinc/36/70/75/175367075.db2.gz JVHFCBXISQKVTN-OAHLLOKOSA-N 1 0 270.417 2.184 10 0 CEAERO CCC[NH2+][C@@](C)(CCCN(C)c1ccccc1)C(N)=O ZINC000045376637 175367228 /nfs/dbraw/zinc/36/72/28/175367228.db2.gz ZWWUVPFVVTWVNN-INIZCTEOSA-N 1 0 277.412 2.147 10 0 CEAERO CCCN[C@](C)(CCC[N@H+](C)C(C)C)C(=O)OC ZINC000045378077 175367398 /nfs/dbraw/zinc/36/73/98/175367398.db2.gz IQFYCCLFTWKAKZ-CQSZACIVSA-N 1 0 258.406 2.038 10 0 CEAERO CCCN[C@@H](C[N@H+](C)C1CCCCC1)C(=O)OCC ZINC000045379009 175368672 /nfs/dbraw/zinc/36/86/72/175368672.db2.gz DFQUHTNYYJWQHY-AWEZNQCLSA-N 1 0 270.417 2.182 10 0 CEAERO CCN(CCC[C@@](C)([NH3+])C(=O)OC)c1ccccc1 ZINC000045379917 175369351 /nfs/dbraw/zinc/36/93/51/175369351.db2.gz VYKMAAJIIYVOFN-OAHLLOKOSA-N 1 0 264.369 2.184 10 0 CEAERO CCC[N@H+](C)CCCC[C@@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045382114 175369880 /nfs/dbraw/zinc/36/98/80/175369880.db2.gz JHJPNHZNUAMTBQ-CQSZACIVSA-N 1 0 258.406 2.340 10 0 CEAERO CCCN[C@@](C)(CCC[N@H+](C)CCC)C(=O)OCC ZINC000045382375 175370729 /nfs/dbraw/zinc/37/07/29/175370729.db2.gz HXXJUPADLCSQEG-HNNXBMFYSA-N 1 0 272.433 2.430 10 0 CEAERO CCOC(=O)[C@@](C)(CCC[N@H+](CC)C(C)C)NC ZINC000045383820 175371070 /nfs/dbraw/zinc/37/10/70/175371070.db2.gz GNFMEQKWYBPUKY-CQSZACIVSA-N 1 0 258.406 2.038 10 0 CEAERO CC(C)[NH2+][C@@](C)(CCCC[N@H+](C)C1CC1)C(=O)[O-] ZINC000045383126 175371404 /nfs/dbraw/zinc/37/14/04/175371404.db2.gz GSIJXWRAKYFANE-AWEZNQCLSA-N 1 0 256.390 2.092 10 0 CEAERO CC[NH2+][C@@](C)(CCCC[N@H+](C)C1CCCC1)C(=O)[O-] ZINC000045384605 175371969 /nfs/dbraw/zinc/37/19/69/175371969.db2.gz WJAFPCDLWVQSTG-HNNXBMFYSA-N 1 0 270.417 2.484 10 0 CEAERO CC[N@H+](CCCC[C@@](C)(NC1CC1)C(=O)OC)C1CC1 ZINC000045386437 175373062 /nfs/dbraw/zinc/37/30/62/175373062.db2.gz VAGMHVNWZRUYTA-MRXNPFEDSA-N 1 0 282.428 2.325 10 0 CEAERO CCOC(=O)[C@@H](C[N@H+](C)C(CC)CC)NC(C)C ZINC000045391318 175374923 /nfs/dbraw/zinc/37/49/23/175374923.db2.gz OZRHMIRWKLSPQU-CYBMUJFWSA-N 1 0 258.406 2.037 10 0 CEAERO CCOC(=O)[C@](C)(CCCC[N@H+](C)[C@@H](C)C1CC1)NC ZINC000045392850 175375928 /nfs/dbraw/zinc/37/59/28/175375928.db2.gz VYKMLZNAUSCIDJ-BBRMVZONSA-N 1 0 284.444 2.428 10 0 CEAERO COC(=O)[C@@](C)(CCCC[N@H+](C)CC1CC1)NC1CC1 ZINC000045419933 175378186 /nfs/dbraw/zinc/37/81/86/175378186.db2.gz CTSRQLQUDMITEZ-MRXNPFEDSA-N 1 0 282.428 2.182 10 0 CEAERO CCCN[C@](C)(CCC[N@H+](C)CC1CC1)C(=O)OCC ZINC000045419970 175378254 /nfs/dbraw/zinc/37/82/54/175378254.db2.gz WYWYYIHSYAJDQB-MRXNPFEDSA-N 1 0 284.444 2.430 10 0 CEAERO CCCN[C@@H](C[NH+](CC(C)C)CC(C)C)C(=O)OC ZINC000045420367 175378535 /nfs/dbraw/zinc/37/85/35/175378535.db2.gz MLROPXGQNKASNV-AWEZNQCLSA-N 1 0 272.433 2.142 10 0 CEAERO CCN(CCC(F)(F)F)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000655431441 415267798 /nfs/dbraw/zinc/26/77/98/415267798.db2.gz LWJMQJPMBZBIPZ-SNVBAGLBSA-N 1 0 266.307 2.177 10 0 CEAERO Cc1ccc(C2CC([NH2+]C[C@H]3CC(=O)N(C)C3)C2)cc1 ZINC000658241310 415273369 /nfs/dbraw/zinc/27/33/69/415273369.db2.gz WBDBNRUKVHFSFQ-IUDNXUCKSA-N 1 0 272.392 2.309 10 0 CEAERO CCc1ccc([C@H](C)[NH2+]C[C@H]2CC(=O)N(C)C2)s1 ZINC000658243476 415279427 /nfs/dbraw/zinc/27/94/27/415279427.db2.gz DKKJLLXYZKFSBP-WDEREUQCSA-N 1 0 266.410 2.439 10 0 CEAERO C[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000658245335 415281481 /nfs/dbraw/zinc/28/14/81/415281481.db2.gz RJOVNAOWEYAJRC-ZFWWWQNUSA-N 1 0 260.381 2.076 10 0 CEAERO [NH3+][C@H](c1ccc2c(c1)CCC(=O)N2)[C@@H]1CCCCO1 ZINC000050960762 175521437 /nfs/dbraw/zinc/52/14/37/175521437.db2.gz VNNLOZVMYIOKQB-DZGCQCFKSA-N 1 0 260.337 2.140 10 0 CEAERO CCC[NH+]1CCC(NCCOC)(c2nc(C)cs2)CC1 ZINC000053288858 175546881 /nfs/dbraw/zinc/54/68/81/175546881.db2.gz CEZDMZBTYYVADV-UHFFFAOYSA-N 1 0 297.468 2.389 10 0 CEAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC(CO)C1 ZINC000658350302 415330479 /nfs/dbraw/zinc/33/04/79/415330479.db2.gz CKQDVWLSZBKWGO-TZDAIYRESA-N 1 0 261.365 2.433 10 0 CEAERO OC1(c2cccc(OC(F)(F)F)c2)CC[NH2+]CC1 ZINC000059791856 175633789 /nfs/dbraw/zinc/63/37/89/175633789.db2.gz CLNPVFGKRQXBQY-UHFFFAOYSA-N 1 0 261.243 2.156 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC2(CC2)C1 ZINC000659296038 415495342 /nfs/dbraw/zinc/49/53/42/415495342.db2.gz VRCGPTSJBAMACX-STQMWFEESA-N 1 0 250.386 2.297 10 0 CEAERO CCC[C@@H]([NH3+])c1cnc(NC(=O)C(C)(C)C)cn1 ZINC000067172097 175770046 /nfs/dbraw/zinc/77/00/46/175770046.db2.gz JJGISDLANCWICA-SECBINFHSA-N 1 0 250.346 2.261 10 0 CEAERO Cc1cc(C)cc(CNC(=O)[C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000659345754 415534380 /nfs/dbraw/zinc/53/43/80/415534380.db2.gz UDCFKFKOFOAUAG-UKRRQHHQSA-N 1 0 260.381 2.308 10 0 CEAERO CC[C@@H](C)NC(=O)CC[NH2+][C@H]1CCO[C@@](C)(CC)C1 ZINC000070358996 175888664 /nfs/dbraw/zinc/88/86/64/175888664.db2.gz TYATURRCEZQWKO-IPYPFGDCSA-N 1 0 270.417 2.229 10 0 CEAERO CC[C@H]([NH3+])Cc1ccc(OCCOCCOC)c(OC)c1 ZINC000070482683 175953189 /nfs/dbraw/zinc/95/31/89/175953189.db2.gz SBWVYIAYZNTDBF-AWEZNQCLSA-N 1 0 297.395 2.017 10 0 CEAERO C[C@H](N1C[C@@H](C[NH3+])CC1=O)C12CC3CC(CC(C3)C1)C2 ZINC000070493127 175955833 /nfs/dbraw/zinc/95/58/33/175955833.db2.gz PMMGSGMXPPZOBD-DVMIWYLISA-N 1 0 276.424 2.399 10 0 CEAERO [NH3+][C@H]1CCCN(CCc2ccc(Cl)cc2Cl)C1=O ZINC000070495297 175956195 /nfs/dbraw/zinc/95/61/95/175956195.db2.gz PLDDYEMMBOPPPB-LBPRGKRZSA-N 1 0 287.190 2.486 10 0 CEAERO CCN[C@@](C[NH+](CC1CC1)CC1CC1)(C(=O)OC)C1CC1 ZINC000070506699 175959258 /nfs/dbraw/zinc/95/92/58/175959258.db2.gz CVWYYGNMOKETBH-QGZVFWFLSA-N 1 0 294.439 2.040 10 0 CEAERO C[NH2+][C@](CO)(Cn1ccc(C(F)(F)F)n1)c1ccccc1 ZINC000070516103 175965029 /nfs/dbraw/zinc/96/50/29/175965029.db2.gz GORLENYOSDGRPN-ZDUSSCGKSA-N 1 0 299.296 2.009 10 0 CEAERO Cc1cccc(N(C)C[C@@](O)(C[NH3+])c2ccccc2)c1 ZINC000070521599 175967068 /nfs/dbraw/zinc/96/70/68/175967068.db2.gz UIFJBTTXBSVRNV-KRWDZBQOSA-N 1 0 270.376 2.278 10 0 CEAERO C[C@H]1CCCC[C@H]1N(C)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000070534861 175975414 /nfs/dbraw/zinc/97/54/14/175975414.db2.gz KPSSPNDDULYSQI-MELADBBJSA-N 1 0 264.413 2.413 10 0 CEAERO CC1CCC(NC(=O)c2ccc(CC[NH3+])cc2)CC1 ZINC000070541554 175977273 /nfs/dbraw/zinc/97/72/73/175977273.db2.gz ODIRFEUCNCQPON-UHFFFAOYSA-N 1 0 260.381 2.496 10 0 CEAERO COC(=O)Nc1ccc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000070575434 175990982 /nfs/dbraw/zinc/99/09/82/175990982.db2.gz GJFGAQIPORIJGW-QWRGUYRKSA-N 1 0 291.351 2.321 10 0 CEAERO Cc1ccc(OCCN(C)C(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000070576032 175991257 /nfs/dbraw/zinc/99/12/57/175991257.db2.gz BHFZWUZEQCBBFP-LSDHHAIUSA-N 1 0 290.407 2.350 10 0 CEAERO [NH3+][C@H]1CCC[C@H](C(=O)N(Cc2ccco2)C2CC2)C1 ZINC000070576162 175991699 /nfs/dbraw/zinc/99/16/99/175991699.db2.gz RWZQJOPMFPSLRI-RYUDHWBXSA-N 1 0 262.353 2.288 10 0 CEAERO NC(=S)[C@H]1CCC[N@H+](CCc2cccs2)C1 ZINC000070663688 176000108 /nfs/dbraw/zinc/00/01/08/176000108.db2.gz BMQHPIIXZVMLNF-JTQLQIEISA-N 1 0 254.424 2.289 10 0 CEAERO CCC[NH2+][C@@H]1CCN([C@@H](C)Cc2cccs2)C1=O ZINC000070940653 176014708 /nfs/dbraw/zinc/01/47/08/176014708.db2.gz LZACRJXGKNKXOW-WCQYABFASA-N 1 0 266.410 2.280 10 0 CEAERO CCOc1ccc(C(=O)N(CC[NH3+])C2CCCC2)cc1 ZINC000070943693 176016581 /nfs/dbraw/zinc/01/65/81/176016581.db2.gz SPZOFHDPWFSBGV-UHFFFAOYSA-N 1 0 276.380 2.429 10 0 CEAERO Cc1cc(F)ccc1[C@H]1[C@@H]([NH3+])CCC(=O)N1C1CC1 ZINC000070987372 176018607 /nfs/dbraw/zinc/01/86/07/176018607.db2.gz QPLKHLRTOHFCIZ-ZFWWWQNUSA-N 1 0 262.328 2.287 10 0 CEAERO Cc1ccc([C@H]2[C@H]([NH3+])CCC(=O)N2C2CC2)cc1F ZINC000070987212 176018669 /nfs/dbraw/zinc/01/86/69/176018669.db2.gz WDXFQOKJMABDKG-HIFRSBDPSA-N 1 0 262.328 2.287 10 0 CEAERO CC[NH2+][C@H]1CCCN([C@H](C)Cc2ccccc2)C1=O ZINC000071031354 176022553 /nfs/dbraw/zinc/02/25/53/176022553.db2.gz CVDJDMNGQVZGGP-HIFRSBDPSA-N 1 0 260.381 2.218 10 0 CEAERO CC[NH2+][C@H]1CCCN([C@@H](C)c2ccccc2F)C1=O ZINC000071031919 176022961 /nfs/dbraw/zinc/02/29/61/176022961.db2.gz ARZSASWYJSHKDV-FZMZJTMJSA-N 1 0 264.344 2.487 10 0 CEAERO C[NH2+][C@@H]1CCCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000071032085 176023139 /nfs/dbraw/zinc/02/31/39/176023139.db2.gz XKLFHWAXNKBIRP-ZWNOBZJWSA-N 1 0 250.317 2.097 10 0 CEAERO CC(C)[NH2+][C@H]1CCCN([C@H](C)Cc2ccco2)C1=O ZINC000071032186 176023280 /nfs/dbraw/zinc/02/32/80/176023280.db2.gz WWNMSEAUZUPEPX-OCCSQVGLSA-N 1 0 264.369 2.200 10 0 CEAERO CC(C)[NH2+][C@@H]1CCCN(CCc2ccsc2)C1=O ZINC000071032285 176023409 /nfs/dbraw/zinc/02/34/09/176023409.db2.gz BMDAZBWVEGVUTO-CYBMUJFWSA-N 1 0 266.410 2.280 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN([C@@H](C)c2cccc(F)c2)C1=O ZINC000071034913 176024873 /nfs/dbraw/zinc/02/48/73/176024873.db2.gz CQJKMZGYWNEJSK-SMDDNHRTSA-N 1 0 264.344 2.486 10 0 CEAERO CC[NH2+][C@H]1CCCN([C@@H](C)c2sc(C)nc2C)C1=O ZINC000071036224 176025493 /nfs/dbraw/zinc/02/54/93/176025493.db2.gz DJVSWFGSOYADFR-JQWIXIFHSA-N 1 0 281.425 2.421 10 0 CEAERO C[C@@H](c1cccs1)N1CC[C@H]([NH2+]C2CC2)C1=O ZINC000071040245 176027539 /nfs/dbraw/zinc/02/75/39/176027539.db2.gz RFGQZENECPMQTD-ONGXEEELSA-N 1 0 250.367 2.162 10 0 CEAERO CCC[NH2+][C@H]1CCCN(CCc2cccc(F)c2)C1=O ZINC000071040526 176027550 /nfs/dbraw/zinc/02/75/50/176027550.db2.gz YKSZQKGGQDDEBO-HNNXBMFYSA-N 1 0 278.371 2.359 10 0 CEAERO CC[NH2+][C@H]1CCCN([C@H](C)c2cccs2)C1=O ZINC000071040268 176027675 /nfs/dbraw/zinc/02/76/75/176027675.db2.gz FCWUBZNQTARLRV-MNOVXSKESA-N 1 0 252.383 2.410 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCN1CCC1CCCCC1 ZINC000071041406 176028199 /nfs/dbraw/zinc/02/81/99/176028199.db2.gz SJUMSLMXNLIIGM-CQSZACIVSA-N 1 0 250.386 2.310 10 0 CEAERO CCC[NH2+][C@H]1CCCN(CCc2cc(F)cc(F)c2)C1=O ZINC000071042445 176028518 /nfs/dbraw/zinc/02/85/18/176028518.db2.gz OGTZCBITKXBDFA-HNNXBMFYSA-N 1 0 296.361 2.498 10 0 CEAERO COc1ccc(N2CCC[C@H]([NH2+]C(C)C)C2=O)c(C)c1 ZINC000071042628 176028538 /nfs/dbraw/zinc/02/85/38/176028538.db2.gz GWWVFPWKNLWDNK-AWEZNQCLSA-N 1 0 276.380 2.497 10 0 CEAERO Cc1ccc(CN2CCC[C@@H]([NH2+]C(C)C)C2=O)o1 ZINC000071042603 176028822 /nfs/dbraw/zinc/02/88/22/176028822.db2.gz ULVFDTCUNSIPGV-CYBMUJFWSA-N 1 0 250.342 2.077 10 0 CEAERO CC[NH2+][C@H]1CCCN(Cc2cc(F)ccc2F)C1=O ZINC000071043745 176029575 /nfs/dbraw/zinc/02/95/75/176029575.db2.gz WSVUKAVLWUQDIA-ZDUSSCGKSA-N 1 0 268.307 2.065 10 0 CEAERO c1ccc2c(c1)CCO[C@H]2C[NH2+]C[C@@H]1CCCCO1 ZINC000071090959 176031083 /nfs/dbraw/zinc/03/10/83/176031083.db2.gz RVPGJVCMDYRERW-HOCLYGCPSA-N 1 0 261.365 2.459 10 0 CEAERO c1cn(C[C@H]2OCCc3ccccc32)c(C[NH2+]C2CC2)n1 ZINC000071092294 176032068 /nfs/dbraw/zinc/03/20/68/176032068.db2.gz MLXHFNYTRIVVFP-MRXNPFEDSA-N 1 0 283.375 2.449 10 0 CEAERO COCC[NH2+]C[C@@H]1CCCN(Cc2ccc(OC)cc2)C1 ZINC000071137985 176036342 /nfs/dbraw/zinc/03/63/42/176036342.db2.gz KZBYBIRBQBRCAZ-INIZCTEOSA-N 1 0 292.423 2.143 10 0 CEAERO CC[C@@H](C)[C@@H]([NH2+]C)c1ccc2c(c1)C(=O)N(C)C(=O)C2 ZINC000071139483 176037829 /nfs/dbraw/zinc/03/78/29/176037829.db2.gz YHJSDLFSYKQEFC-MEBBXXQBSA-N 1 0 274.364 2.148 10 0 CEAERO C[NH2+][C@H](CC(C)C)c1ccc2c(c1)C(=O)N(C)C(=O)C2 ZINC000071139476 176038080 /nfs/dbraw/zinc/03/80/80/176038080.db2.gz WBESYLJFOTWYFI-CQSZACIVSA-N 1 0 274.364 2.148 10 0 CEAERO C[NH2+]C[C@@H]1CCN(Cc2noc(-c3ccc(C)cc3)n2)C1 ZINC000071145500 176041844 /nfs/dbraw/zinc/04/18/44/176041844.db2.gz UGCABOQRXBWSRK-ZDUSSCGKSA-N 1 0 286.379 2.086 10 0 CEAERO C[NH2+]C[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000071148474 176044038 /nfs/dbraw/zinc/04/40/38/176044038.db2.gz RBDZDULHIOMJTD-SECBINFHSA-N 1 0 259.275 2.146 10 0 CEAERO CC[C@@H]1CCC[C@@H](Sc2nnc(C[NH3+])n2C)C1 ZINC000071150245 176045264 /nfs/dbraw/zinc/04/52/64/176045264.db2.gz CSRWJPQQPZJBCL-NXEZZACHSA-N 1 0 254.403 2.335 10 0 CEAERO CC[C@H]1CCCC[C@]1(CN)[NH+]1CCC(OC)CC1 ZINC000071161615 176046091 /nfs/dbraw/zinc/04/60/91/176046091.db2.gz QARDMHJSRKAIKG-DZGCQCFKSA-N 1 0 254.418 2.395 10 0 CEAERO CC[C@H]1CCCC[C@]1(C[NH3+])N(C)Cc1cnn(C)c1 ZINC000071161853 176046125 /nfs/dbraw/zinc/04/61/25/176046125.db2.gz VMKXXHDUVCEEBP-LSDHHAIUSA-N 1 0 264.417 2.150 10 0 CEAERO C[NH2+][C@H]1CCC2(C[C@H]1Oc1cc(F)ccc1F)OCCO2 ZINC000071167455 176049640 /nfs/dbraw/zinc/04/96/40/176049640.db2.gz WFGSWNVZJKGTOF-GXTWGEPZSA-N 1 0 299.317 2.227 10 0 CEAERO CC(C)(C)c1ccccc1NS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000071174650 176054172 /nfs/dbraw/zinc/05/41/72/176054172.db2.gz BIGYYQXCHVBKIK-LBPRGKRZSA-N 1 0 296.436 2.478 10 0 CEAERO CC(C)Oc1cncc(N[C@@H]2CC[NH2+]C3(CCC3)C2)n1 ZINC000071175940 176054651 /nfs/dbraw/zinc/05/46/51/176054651.db2.gz PDSUTYFHWFKQQL-GFCCVEGCSA-N 1 0 276.384 2.350 10 0 CEAERO CCCOc1cncc(N[C@H]2CC[NH2+]C3(CCC3)C2)n1 ZINC000071175939 176054670 /nfs/dbraw/zinc/05/46/70/176054670.db2.gz VWDDMACSSOUMJX-LBPRGKRZSA-N 1 0 276.384 2.352 10 0 CEAERO CCCOc1cncc(N(CC)C2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000071176022 176054674 /nfs/dbraw/zinc/05/46/74/176054674.db2.gz HZEIEOHTEGDWLD-PBWFPOADSA-N 1 0 290.411 2.375 10 0 CEAERO CC[NH2+][C@H](CC)c1ccccc1O[C@@H]1CCN(C)C1=O ZINC000071182885 176057941 /nfs/dbraw/zinc/05/79/41/176057941.db2.gz MLHWRPQFZLKXQX-UKRRQHHQSA-N 1 0 276.380 2.357 10 0 CEAERO COc1cc(OC)cc(N2CC[C@@H]([NH2+]C3CC3)C2)c1 ZINC000071197928 176076586 /nfs/dbraw/zinc/07/65/86/176076586.db2.gz KWPGJOVROCMBKL-GFCCVEGCSA-N 1 0 262.353 2.035 10 0 CEAERO CC[NH2+][C@H]1CCCN(C[C@@H]2Cc3ccccc3O2)C1 ZINC000071199351 176077233 /nfs/dbraw/zinc/07/72/33/176077233.db2.gz VVNMGPQAXVDVNB-GJZGRUSLSA-N 1 0 260.381 2.064 10 0 CEAERO CC[NH2+][C@@H]1CCN(CCCN(C)c2ccccc2)C1 ZINC000071198468 176077268 /nfs/dbraw/zinc/07/72/68/176077268.db2.gz OBWZRVDVNGMORM-OAHLLOKOSA-N 1 0 261.413 2.197 10 0 CEAERO CC[NH2+][C@H](C)CCn1cc(C(F)(F)F)ccc1=O ZINC000071211998 176083731 /nfs/dbraw/zinc/08/37/31/176083731.db2.gz NRWTWNPYTUEFSS-SECBINFHSA-N 1 0 262.275 2.255 10 0 CEAERO NC(=S)c1cc(F)ccc1C[N@@H+]1CCCC[C@H]1CCO ZINC000071265695 176099621 /nfs/dbraw/zinc/09/96/21/176099621.db2.gz OEDOJCAHFHUARI-ZDUSSCGKSA-N 1 0 296.411 2.197 10 0 CEAERO NC(=[NH2+])c1cc(F)ccc1COc1ccc(CO)cc1 ZINC000071268316 176101557 /nfs/dbraw/zinc/10/15/57/176101557.db2.gz MTPJQLOBPVQWSW-UHFFFAOYSA-N 1 0 274.295 2.181 10 0 CEAERO CCC[N@@H+]1CCC[C@H]([C@@H](C)NCc2nccn2C)C1 ZINC000071273170 176105281 /nfs/dbraw/zinc/10/52/81/176105281.db2.gz ZOEUKKRPKFRDGC-KGLIPLIRSA-N 1 0 264.417 2.020 10 0 CEAERO Cn1ccnc1Cn1c(N)[nH+]c2cccc(Cl)c21 ZINC000071274547 176106024 /nfs/dbraw/zinc/10/60/24/176106024.db2.gz XXLBVTKWQZPZAS-UHFFFAOYSA-N 1 0 261.716 2.054 10 0 CEAERO CCOC(=O)CCCCC[NH2+]CCc1ccccn1 ZINC000071293044 176111001 /nfs/dbraw/zinc/11/10/01/176111001.db2.gz AYCNMBJUMJXFNZ-UHFFFAOYSA-N 1 0 264.369 2.337 10 0 CEAERO CC(C)Cc1ccc([C@@H](O)C[NH2+]C[C@@H](O)C2CC2)cc1 ZINC000071306053 176115569 /nfs/dbraw/zinc/11/55/69/176115569.db2.gz NCCMRCIRWGPHCN-DLBZAZTESA-N 1 0 277.408 2.279 10 0 CEAERO CCN([C@@H](C)CCc1ccc(O)cc1)[C@@H]1CC[NH2+]C1 ZINC000071312011 176119015 /nfs/dbraw/zinc/11/90/15/176119015.db2.gz OQSYDMYLXMYEMD-DZGCQCFKSA-N 1 0 262.397 2.397 10 0 CEAERO CCN(Cc1cc(F)c(F)c(F)c1)[C@H]1CC[NH2+]C1 ZINC000071312358 176119155 /nfs/dbraw/zinc/11/91/55/176119155.db2.gz QVIDZFIGAGHBQR-JTQLQIEISA-N 1 0 258.287 2.288 10 0 CEAERO CCN(C(=O)c1cc(C)nc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000071312551 176119308 /nfs/dbraw/zinc/11/93/08/176119308.db2.gz QURZUOOINROPKD-ZDUSSCGKSA-N 1 0 283.375 2.367 10 0 CEAERO CCCN(c1cccc(Cl)c1C(N)=O)[C@H]1CC[NH2+]C1 ZINC000071332577 176125681 /nfs/dbraw/zinc/12/56/81/176125681.db2.gz IBXBMOWEDBJDEL-JTQLQIEISA-N 1 0 281.787 2.017 10 0 CEAERO COc1cccc(C2CC([NH2+]Cc3ccnn3C)C2)c1 ZINC000071333373 176125939 /nfs/dbraw/zinc/12/59/39/176125939.db2.gz BKBYJTWXQPVNNT-UHFFFAOYSA-N 1 0 271.364 2.465 10 0 CEAERO CC(C)Cc1ccc([C@@H](O)C[NH2+]Cc2ccnn2C)cc1 ZINC000071334258 176126584 /nfs/dbraw/zinc/12/65/84/176126584.db2.gz HOLYTRAEVFVRSU-KRWDZBQOSA-N 1 0 287.407 2.442 10 0 CEAERO C[C@H](C[NH+]1CCCCC1)NC1CN(C(=O)OC(C)(C)C)C1 ZINC000071335707 176127069 /nfs/dbraw/zinc/12/70/69/176127069.db2.gz KXGRRCMUIJOCQV-CYBMUJFWSA-N 1 0 297.443 2.070 10 0 CEAERO CCOc1ccccc1C(=O)NC[C@@H]1[NH2+]CCC[C@@H]1C ZINC000071338487 176128606 /nfs/dbraw/zinc/12/86/06/176128606.db2.gz YKZWDDSSUWBBJQ-JSGCOSHPSA-N 1 0 276.380 2.203 10 0 CEAERO C[C@@H]1CCC[NH2+][C@H]1CNC(=O)CCC1CCCC1 ZINC000071338482 176128817 /nfs/dbraw/zinc/12/88/17/176128817.db2.gz VSNXNCHTWWYCQJ-OCCSQVGLSA-N 1 0 252.402 2.461 10 0 CEAERO Cc1ccc(C(=O)NC[C@@H]2[NH2+]CCC[C@@H]2C)cc1C ZINC000071338591 176128927 /nfs/dbraw/zinc/12/89/27/176128927.db2.gz MRNKEGGPHBQGTP-WFASDCNBSA-N 1 0 260.381 2.421 10 0 CEAERO C[C@@H]1CCC[NH2+][C@H]1CNC(=O)c1cccc(F)c1F ZINC000071338798 176128957 /nfs/dbraw/zinc/12/89/57/176128957.db2.gz QUWAZBRDNFPLGF-SKDRFNHKSA-N 1 0 268.307 2.083 10 0 CEAERO C[C@H]1CCC[NH2+][C@@H]1CNC(=O)C(C)(C)c1ccccc1 ZINC000071338653 176129135 /nfs/dbraw/zinc/12/91/35/176129135.db2.gz PWWCOHSCSIKNAN-DZGCQCFKSA-N 1 0 274.408 2.469 10 0 CEAERO C[C@@H]1CCC[NH2+][C@H]1CNC(=O)CC1CCCCC1 ZINC000071338726 176129167 /nfs/dbraw/zinc/12/91/67/176129167.db2.gz CNOGLYDFJRBHJU-OCCSQVGLSA-N 1 0 252.402 2.461 10 0 CEAERO C[C@H]1CCC[NH2+][C@@H]1CNC(=O)NC1CCCCC1 ZINC000071338932 176129355 /nfs/dbraw/zinc/12/93/55/176129355.db2.gz YHLKYDSMKYKPQP-WCQYABFASA-N 1 0 253.390 2.006 10 0 CEAERO Cc1nccn1CC[N@H+]1CC(C)(C)NC[C@@H]1CC(C)C ZINC000071342720 176130222 /nfs/dbraw/zinc/13/02/22/176130222.db2.gz BMHQAZALJHXTFC-HNNXBMFYSA-N 1 0 278.444 2.290 10 0 CEAERO CC1(C)CN(Cc2ncccn2)[C@@H](c2ccccc2)C[NH2+]1 ZINC000071342941 176130575 /nfs/dbraw/zinc/13/05/75/176130575.db2.gz LVXUQYUDILHLTL-OAHLLOKOSA-N 1 0 282.391 2.402 10 0 CEAERO CCOCCN1CC(C)(C)[NH2+]C[C@H]1Cc1ccccc1 ZINC000071343035 176130776 /nfs/dbraw/zinc/13/07/76/176130776.db2.gz PBHQLMYDGBMCQT-MRXNPFEDSA-N 1 0 276.424 2.318 10 0 CEAERO CC[C@@H]1CN(CCOCCOC)[C@H](c2ccccc2)C[NH2+]1 ZINC000071344439 176130966 /nfs/dbraw/zinc/13/09/66/176130966.db2.gz QASNUKWIVTZPMA-SJORKVTESA-N 1 0 292.423 2.075 10 0 CEAERO OCCN1CCC[N@H+](Cc2cccc3ccccc32)CC1 ZINC000071350124 176133634 /nfs/dbraw/zinc/13/36/34/176133634.db2.gz YGGDJIJCAYSQCV-UHFFFAOYSA-N 1 0 284.403 2.340 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@@H](CC(C)C)CN1Cc1cnn(C)c1 ZINC000071351945 176135165 /nfs/dbraw/zinc/13/51/65/176135165.db2.gz VRVHYBLYYQYKHR-HOTGVXAUSA-N 1 0 278.444 2.409 10 0 CEAERO COCCN1C[C@H](Cc2ccccc2)[NH2+]C[C@@H]1C(C)C ZINC000071352994 176135770 /nfs/dbraw/zinc/13/57/70/176135770.db2.gz CHRWBQZQRJBEIX-DLBZAZTESA-N 1 0 276.424 2.174 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](Cc2ccccc2)CN1[C@@H]1CCOC1 ZINC000071352767 176135860 /nfs/dbraw/zinc/13/58/60/176135860.db2.gz RNYKVBPRJZUBRK-YESZJQIVSA-N 1 0 274.408 2.070 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(CCn2cccn2)[C@@](C)(CC)C[NH2+]1 ZINC000071355886 176136899 /nfs/dbraw/zinc/13/68/99/176136899.db2.gz MHXWJXWJKYXESC-PMPSAXMXSA-N 1 0 278.444 2.372 10 0 CEAERO CC[C@H]1C[NH2+][C@](C)(CC)CN1C[C@@H]1CCCCO1 ZINC000071356659 176136969 /nfs/dbraw/zinc/13/69/69/176136969.db2.gz NIOVCDLVACAJLH-SOUVJXGZSA-N 1 0 254.418 2.408 10 0 CEAERO Cc1nccn1CC[N@H+]1CC2(CCCC2)NC[C@@H]1C(C)C ZINC000071358500 176137314 /nfs/dbraw/zinc/13/73/14/176137314.db2.gz GPCKNSGQDNSXCR-MRXNPFEDSA-N 1 0 290.455 2.434 10 0 CEAERO CC[C@]1(C)CN(Cc2cccc(OC)n2)C(C)(C)C[NH2+]1 ZINC000071357596 176137472 /nfs/dbraw/zinc/13/74/72/176137472.db2.gz VMKDEFWBGUGHOY-MRXNPFEDSA-N 1 0 277.412 2.443 10 0 CEAERO CCC([NH3+])(CC)c1nc(-c2ccccc2)cc(=O)[nH]1 ZINC000071396872 176150101 /nfs/dbraw/zinc/15/01/01/176150101.db2.gz KQFRXKLSNCJYKK-UHFFFAOYSA-N 1 0 257.337 2.411 10 0 CEAERO [NH3+]CCc1ccc(OCCn2cccn2)c(C(F)(F)F)c1 ZINC000071399535 176152186 /nfs/dbraw/zinc/15/21/86/176152186.db2.gz UZUTWHRCYYDPLD-UHFFFAOYSA-N 1 0 299.296 2.482 10 0 CEAERO Cc1ccc(O[C@@H](C)C(=O)N2CCCC2)c(C[C@@H](C)[NH3+])c1 ZINC000071411695 176157164 /nfs/dbraw/zinc/15/71/64/176157164.db2.gz XWNLVOQHKDXKLC-KGLIPLIRSA-N 1 0 290.407 2.274 10 0 CEAERO CCN(C(=O)COc1ccc(C)cc1C[C@H](C)[NH3+])C1CC1 ZINC000071411816 176157215 /nfs/dbraw/zinc/15/72/15/176157215.db2.gz MOKHABKNUKITHU-ZDUSSCGKSA-N 1 0 290.407 2.274 10 0 CEAERO COc1ccc(F)cc1[C@](C)(O)[C@H]1CCC[NH2+]C1 ZINC000071574661 176201631 /nfs/dbraw/zinc/20/16/31/176201631.db2.gz DARRELMNQJDJDW-IINYFYTJSA-N 1 0 253.317 2.041 10 0 CEAERO CCOc1ccc(C[C@@H]([NH3+])CN2CCCCC2)cc1 ZINC000071589197 176217423 /nfs/dbraw/zinc/21/74/23/176217423.db2.gz RIPZXHSYLAICNV-OAHLLOKOSA-N 1 0 262.397 2.441 10 0 CEAERO O=C1CC[NH2+]C[C@@H]1Cc1cccc(Br)c1 ZINC000071599559 176224734 /nfs/dbraw/zinc/22/47/34/176224734.db2.gz UWNPUOOCWBLAIK-JTQLQIEISA-N 1 0 268.154 2.170 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CCO[C@H]1CC1(F)F ZINC000659996168 415834635 /nfs/dbraw/zinc/83/46/35/415834635.db2.gz YGGRQJIWFMWAHJ-RDBSUJKOSA-N 1 0 288.382 2.359 10 0 CEAERO O[C@]12CCCC[C@H]1C[N@H+](CCO[C@H]1CC1(F)F)CC2 ZINC000660013186 415850374 /nfs/dbraw/zinc/85/03/74/415850374.db2.gz POHWOEAFWQGZDQ-AVGNSLFASA-N 1 0 275.339 2.038 10 0 CEAERO COCc1csc(C[NH2+]C[C@H](O)C(C)(C)C)c1 ZINC000656708572 415826539 /nfs/dbraw/zinc/82/65/39/415826539.db2.gz GYUHIANCYJCHOK-LBPRGKRZSA-N 1 0 257.399 2.391 10 0 CEAERO CCC1(CC)CCCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000662691236 415932583 /nfs/dbraw/zinc/93/25/83/415932583.db2.gz HPWFBMSUYNDKOP-CHWSQXEVSA-N 1 0 252.402 2.271 10 0 CEAERO [NH3+]CCC(=O)OCCc1ccc(Cl)cc1Cl ZINC000076352127 176996957 /nfs/dbraw/zinc/99/69/57/176996957.db2.gz JFGKJMDQOILSGK-UHFFFAOYSA-N 1 0 262.136 2.428 10 0 CEAERO [NH3+]CC1(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000076401831 177017080 /nfs/dbraw/zinc/01/70/80/177017080.db2.gz USFROWZGICIHJF-UHFFFAOYSA-N 1 0 269.142 2.127 10 0 CEAERO COc1cc(C)c(Cl)c(C)c1COC(=O)CC[NH3+] ZINC000076412975 177020928 /nfs/dbraw/zinc/02/09/28/177020928.db2.gz WSLGJHNPRCDULN-UHFFFAOYSA-N 1 0 271.744 2.357 10 0 CEAERO [NH3+]CC1(C(=O)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000076415334 177021505 /nfs/dbraw/zinc/02/15/05/177021505.db2.gz FVNSEYXRCAUDRI-UHFFFAOYSA-N 1 0 272.392 2.207 10 0 CEAERO CC[C@@H](C)NC(=O)[C@H](CC[NH3+])c1ccc(F)cc1 ZINC000076656568 177045783 /nfs/dbraw/zinc/04/57/83/177045783.db2.gz DWELZSSIFXKWKK-ZWNOBZJWSA-N 1 0 252.333 2.173 10 0 CEAERO COc1ccc(CN(CC[NH3+])C2CC2)cc1Cl ZINC000076659173 177047497 /nfs/dbraw/zinc/04/74/97/177047497.db2.gz TYWJFOKCKDBGRF-UHFFFAOYSA-N 1 0 254.761 2.272 10 0 CEAERO CC[C@@H](CC[NH3+])c1ccc(S(=O)(=O)CC)cc1 ZINC000076661033 177048647 /nfs/dbraw/zinc/04/86/47/177048647.db2.gz BDRFSPJQHWFALF-NSHDSACASA-N 1 0 255.383 2.323 10 0 CEAERO COc1ccc(NC(=O)C[C@H](C)C[NH3+])cc1Cl ZINC000076663492 177049840 /nfs/dbraw/zinc/04/98/40/177049840.db2.gz MANYNJFVLZDMSH-QMMMGPOBSA-N 1 0 256.733 2.272 10 0 CEAERO COc1ccc(Cl)cc1NC(=O)C[C@H](C)C[NH3+] ZINC000076663498 177050058 /nfs/dbraw/zinc/05/00/58/177050058.db2.gz NOGLFNVWRYDWHH-QMMMGPOBSA-N 1 0 256.733 2.272 10 0 CEAERO COc1ccc(OC[C@@H](C[NH3+])c2ccncc2)cc1 ZINC000076666134 177051093 /nfs/dbraw/zinc/05/10/93/177051093.db2.gz HXRYZLUCGQNMCQ-CYBMUJFWSA-N 1 0 258.321 2.212 10 0 CEAERO CC[NH2+]Cc1cn2cccc(Br)c2n1 ZINC000076792701 177098097 /nfs/dbraw/zinc/09/80/97/177098097.db2.gz UNPMFLOWIGGIKN-UHFFFAOYSA-N 1 0 254.131 2.206 10 0 CEAERO C[NH2+][C@H](C)CC(=O)Nc1ccccc1OC(C)C ZINC000077431951 177267411 /nfs/dbraw/zinc/26/74/11/177267411.db2.gz HKPXESYNTAYKQL-LLVKDONJSA-N 1 0 250.342 2.410 10 0 CEAERO CN(C[C@@H](O)CC[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000077432363 177267981 /nfs/dbraw/zinc/26/79/81/177267981.db2.gz UYLPLZUNHCAYQK-AWEZNQCLSA-N 1 0 250.386 2.130 10 0 CEAERO CC[C@H]([NH2+]C[C@H]1CN(CC)CCO1)c1ccccc1 ZINC000078516244 177349223 /nfs/dbraw/zinc/34/92/23/177349223.db2.gz FVKWZGUSSJRCMD-HOTGVXAUSA-N 1 0 262.397 2.448 10 0 CEAERO CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)CCCC[NH3+])C2 ZINC000078521036 177349324 /nfs/dbraw/zinc/34/93/24/177349324.db2.gz YBJNZKVKOOBZPD-YWPYICTPSA-N 1 0 252.402 2.446 10 0 CEAERO CCC[C@H](CC[NH3+])CCC(=O)Nc1cc(C)[nH]n1 ZINC000079242531 177455016 /nfs/dbraw/zinc/45/50/16/177455016.db2.gz IJPSIPYHYSFRTG-NSHDSACASA-N 1 0 252.362 2.202 10 0 CEAERO Cc1cc(CNC(=O)CC[C@H](CC[NH3+])C(C)C)on1 ZINC000079278285 177461998 /nfs/dbraw/zinc/46/19/98/177461998.db2.gz RTEFQIOJDLPOHO-GFCCVEGCSA-N 1 0 267.373 2.000 10 0 CEAERO CCC[NH2+]C[C@@H](O)CN1CC[C@H](C(C)(C)C)CCC1=O ZINC000079282706 177462749 /nfs/dbraw/zinc/46/27/49/177462749.db2.gz JJUKQFJBEAGQMN-ZIAGYGMSSA-N 1 0 284.444 2.022 10 0 CEAERO CCN(C(=O)[C@@]1(C)CCC[NH2+]1)c1cccc(F)c1 ZINC000079520702 177514375 /nfs/dbraw/zinc/51/43/75/177514375.db2.gz MZQTYBXWIYFNQC-CQSZACIVSA-N 1 0 250.317 2.321 10 0 CEAERO C[C@@H]1CCC[C@@H](CCNC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000079521757 177515190 /nfs/dbraw/zinc/51/51/90/177515190.db2.gz VFHIGRVPWGNCFR-IPYPFGDCSA-N 1 0 252.402 2.461 10 0 CEAERO CCC[C@@H](COC)[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000079743975 177549602 /nfs/dbraw/zinc/54/96/02/177549602.db2.gz CPHNLXHYYABRNU-UONOGXRCSA-N 1 0 255.333 2.264 10 0 CEAERO CCN(C[C@@H](C)C(N)=[NH2+])C(=O)Nc1ccccc1F ZINC000079778936 177557036 /nfs/dbraw/zinc/55/70/36/177557036.db2.gz WXKOEBMCEZYJHI-SECBINFHSA-N 1 0 266.320 2.252 10 0 CEAERO COc1ccc(NC(=O)N(CCC(N)=[NH2+])C2CC2)cc1 ZINC000079777757 177557225 /nfs/dbraw/zinc/55/72/25/177557225.db2.gz SUUMBBRNQKUPMV-UHFFFAOYSA-N 1 0 276.340 2.018 10 0 CEAERO CCC[NH2+]Cc1csc(N2CCO[C@H](CC)C2)n1 ZINC000079943095 177586818 /nfs/dbraw/zinc/58/68/18/177586818.db2.gz RHFURDUCUNSZMQ-GFCCVEGCSA-N 1 0 269.414 2.258 10 0 CEAERO NC(=O)c1ccc(F)c(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000080149789 177614638 /nfs/dbraw/zinc/61/46/38/177614638.db2.gz PMZNXPHCAOQIRX-IMSIIYSGSA-N 1 0 262.328 2.203 10 0 CEAERO C[C@@H]1CCCN(c2nccc(C(F)(F)F)n2)[C@@H]1C[NH3+] ZINC000081587155 287361557 /nfs/dbraw/zinc/36/15/57/287361557.db2.gz QFZCUYSYTLRYAJ-RKDXNWHRSA-N 1 0 274.290 2.059 10 0 CEAERO Fc1ccc(-n2ccc(CC[NH2+]Cc3cocn3)n2)cc1 ZINC000192319690 227788298 /nfs/dbraw/zinc/78/82/98/227788298.db2.gz JAOGBIXMPQRPBZ-UHFFFAOYSA-N 1 0 286.310 2.332 10 0 CEAERO Cc1cc(C)c(O)c(NC(=O)[C@]2(C)CCCC[NH2+]2)c1 ZINC000133563049 419432095 /nfs/dbraw/zinc/43/20/95/419432095.db2.gz JUIFWQLIAJNSLL-HNNXBMFYSA-N 1 0 262.353 2.480 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccc(Cn2cccn2)cc1 ZINC000136367405 419444116 /nfs/dbraw/zinc/44/41/16/419444116.db2.gz WKOMJVBSWSMWQB-HNNXBMFYSA-N 1 0 286.379 2.243 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccc2c(c1)NC(=O)CS2 ZINC000136349813 419444479 /nfs/dbraw/zinc/44/44/79/419444479.db2.gz FPLXFXXRTUJVTM-JTQLQIEISA-N 1 0 293.392 2.043 10 0 CEAERO CCN(Cc1ccc2c(c1)OCO2)C(=O)C[C@@H]([NH3+])C(C)C ZINC000136378164 419446284 /nfs/dbraw/zinc/44/62/84/419446284.db2.gz PFOAAYRUPKEMHK-CYBMUJFWSA-N 1 0 292.379 2.137 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H](C)Cc1ccsc1 ZINC000136440554 419447011 /nfs/dbraw/zinc/44/70/11/419447011.db2.gz QOOUNAZQTIVMJQ-CMPLNLGQSA-N 1 0 254.399 2.169 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H](C)CCc1ccccc1 ZINC000136437697 419448215 /nfs/dbraw/zinc/44/82/15/419448215.db2.gz HTMOVCBTIDOMLF-HIFRSBDPSA-N 1 0 262.397 2.497 10 0 CEAERO C[C@@H]1CC[NH2+]C[C@H]1Nc1ncccc1Br ZINC000335655425 287630116 /nfs/dbraw/zinc/63/01/16/287630116.db2.gz CPKFXJKKZAEYSO-PSASIEDQSA-N 1 0 270.174 2.254 10 0 CEAERO COc1cccc2c1CC[C@@H]2NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000237343687 260683733 /nfs/dbraw/zinc/68/37/33/260683733.db2.gz XLNZCDVUVIHOTN-ZOWXZIJZSA-N 1 0 288.391 2.316 10 0 CEAERO CC(C)(O)C(C)(C)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000393615858 261219579 /nfs/dbraw/zinc/21/95/79/261219579.db2.gz JYXMXBFRWWLCED-TUAOUCFPSA-N 1 0 255.402 2.187 10 0 CEAERO COc1c(C[NH2+]C[C@@H]2CCCC2(F)F)c(C)nn1C ZINC000390696455 262241864 /nfs/dbraw/zinc/24/18/64/262241864.db2.gz RSTLFDUZSXRMII-JTQLQIEISA-N 1 0 273.327 2.262 10 0 CEAERO CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000190128129 270267430 /nfs/dbraw/zinc/26/74/30/270267430.db2.gz DSUYGIHKSYRBHM-LSDHHAIUSA-N 1 0 297.443 2.071 10 0 CEAERO CC(C)CO[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)N[C@@H]2C)C1(C)C ZINC000392932024 270341348 /nfs/dbraw/zinc/34/13/48/270341348.db2.gz KTZKLNSBZFKRPA-ZOBORPQBSA-N 1 0 282.428 2.083 10 0 CEAERO Cc1nc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)sc1C ZINC000398708690 270361563 /nfs/dbraw/zinc/36/15/63/270361563.db2.gz BWRMCDXXDSODPG-RWMBFGLXSA-N 1 0 266.410 2.353 10 0 CEAERO C(COC1CCCCC1)[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000261975717 273479985 /nfs/dbraw/zinc/47/99/85/273479985.db2.gz RARJMKZMIIPWFD-ZACQAIPSSA-N 1 0 296.455 2.082 10 0 CEAERO C[C@H]1CN(c2ccc(C(F)(F)F)cn2)[C@@H](C)C[NH2+]1 ZINC000083431688 274593436 /nfs/dbraw/zinc/59/34/36/274593436.db2.gz IHQDPTSBLPWINU-IUCAKERBSA-N 1 0 259.275 2.287 10 0 CEAERO Cc1nc2ccccc2nc1N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000163989103 274852727 /nfs/dbraw/zinc/85/27/27/274852727.db2.gz QRVPKZAZEQYFKZ-WCQYABFASA-N 1 0 270.380 2.359 10 0 CEAERO Clc1cc(Br)cnc1N[C@@H]1CC[NH2+]C1 ZINC000236053219 274879993 /nfs/dbraw/zinc/87/99/93/274879993.db2.gz WDDNJDBIQIFBGB-SSDOTTSWSA-N 1 0 276.565 2.271 10 0 CEAERO c1nc2n(n1)C[C@@H]([NH2+][C@H](Cc1ccccc1)C1CC1)CC2 ZINC000180580233 275076537 /nfs/dbraw/zinc/07/65/37/275076537.db2.gz GDWATCFSDPPVQJ-JKSUJKDBSA-N 1 0 282.391 2.204 10 0 CEAERO CC(C)C[C@H](C[NH3+])Nc1ccc(C(F)(F)F)nn1 ZINC000132328176 275914185 /nfs/dbraw/zinc/91/41/85/275914185.db2.gz YMOOYUNKEWHEPT-MRVPVSSYSA-N 1 0 262.279 2.281 10 0 CEAERO CCC[C@]1(C)CCCN(C(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000261619980 276053087 /nfs/dbraw/zinc/05/30/87/276053087.db2.gz CDDDQMCTLNEOAG-GDBMZVCRSA-N 1 0 282.428 2.169 10 0 CEAERO CC1(C)CN(C(=O)NC2CCC(F)(F)CC2)CC[C@@H]1[NH3+] ZINC000334925984 276122707 /nfs/dbraw/zinc/12/27/07/276122707.db2.gz PUCLTNOBKGNHHH-NSHDSACASA-N 1 0 289.370 2.333 10 0 CEAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N[C@H]2CCCc3occc32)C1 ZINC000347696964 276840974 /nfs/dbraw/zinc/84/09/74/276840974.db2.gz GUWMUQVQHUNXIF-SCRDCRAPSA-N 1 0 291.395 2.439 10 0 CEAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C[C@H]1CC[C@H](C)O1 ZINC000249077933 277105692 /nfs/dbraw/zinc/10/56/92/277105692.db2.gz MCDZTIZLYWNOKM-RMEBNNNOSA-N 1 0 281.396 2.360 10 0 CEAERO COCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)C1CCCC1 ZINC000125367540 277272129 /nfs/dbraw/zinc/27/21/29/277272129.db2.gz FFKIEHDDKCLMLO-WCQYABFASA-N 1 0 278.400 2.428 10 0 CEAERO COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2)C[C@@H]1OC ZINC000255003864 277356243 /nfs/dbraw/zinc/35/62/43/277356243.db2.gz DDEMLTLEHDTVBR-KFWWJZLASA-N 1 0 277.364 2.133 10 0 CEAERO C[C@@H]1CCCN(c2nnc(C(F)(F)F)s2)[C@@H]1C[NH3+] ZINC000160374068 277699186 /nfs/dbraw/zinc/69/91/86/277699186.db2.gz SYZOLCPKCIWGTH-RNFRBKRXSA-N 1 0 280.319 2.121 10 0 CEAERO COc1cccc(-c2noc([C@@H](C)[NH2+]CC(C)(C)O)n2)c1 ZINC000174327096 278006453 /nfs/dbraw/zinc/00/64/53/278006453.db2.gz AAFJHNSXQLYYHF-SNVBAGLBSA-N 1 0 291.351 2.167 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1cc(F)c(F)cc1Cl ZINC000335499410 278098848 /nfs/dbraw/zinc/09/88/48/278098848.db2.gz DLFJNMXIJZJHEK-KSBSHMNSSA-N 1 0 274.698 2.180 10 0 CEAERO C[C@@H]1CCCN(c2ccc(Br)cn2)[C@H]1C[NH3+] ZINC000252125261 278485089 /nfs/dbraw/zinc/48/50/89/278485089.db2.gz JZIFNDASHMKQNK-KOLCDFICSA-N 1 0 284.201 2.408 10 0 CEAERO CC(C)(C)[C@H](O)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000305638615 278539154 /nfs/dbraw/zinc/53/91/54/278539154.db2.gz IWIKHOYVBOWONP-SYQHCUMBSA-N 1 0 267.413 2.331 10 0 CEAERO CCCN(c1ccc(OC(F)F)cn1)[C@H]1CC[NH2+]C1 ZINC000262291036 278800765 /nfs/dbraw/zinc/80/07/65/278800765.db2.gz VZVCENYWKCVGIC-JTQLQIEISA-N 1 0 271.311 2.261 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@H](C)Cc2ccccc21 ZINC000235722353 278842339 /nfs/dbraw/zinc/84/23/39/278842339.db2.gz KBSVJUZHEWQNKL-YRGRVCCFSA-N 1 0 258.365 2.067 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](C)CN1c1cc(C(F)(F)F)ccn1 ZINC000090804061 278844105 /nfs/dbraw/zinc/84/41/05/278844105.db2.gz XYYLWWKVDLLTNM-DTWKUNHWSA-N 1 0 259.275 2.287 10 0 CEAERO Cc1csc2c1ncnc2N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000222273463 279048069 /nfs/dbraw/zinc/04/80/69/279048069.db2.gz UKDDFANVIKAENP-ZJUUUORDSA-N 1 0 262.382 2.186 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000261579398 279086155 /nfs/dbraw/zinc/08/61/55/279086155.db2.gz DUNZICPIRIPQFT-KCJUWKMLSA-N 1 0 272.270 2.267 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC[C@@H]1C ZINC000174000159 279123693 /nfs/dbraw/zinc/12/36/93/279123693.db2.gz JSHOQOLFFDDGPL-QWHCGFSZSA-N 1 0 255.406 2.157 10 0 CEAERO CCN1CC2(CC[NH+](CC[C@@H](C)SC)CC2)OC1=O ZINC000072433632 279256154 /nfs/dbraw/zinc/25/61/54/279256154.db2.gz PMKDKARIAKPQKR-GFCCVEGCSA-N 1 0 286.441 2.435 10 0 CEAERO CC[NH2+][C@H](CCO)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095091375 279516571 /nfs/dbraw/zinc/51/65/71/279516571.db2.gz SYFRKNYYYOJHER-CHWSQXEVSA-N 1 0 286.416 2.137 10 0 CEAERO CC[C@](C)(O)C[NH2+][C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000119094592 279746552 /nfs/dbraw/zinc/74/65/52/279746552.db2.gz ANUMRISLLDDWCC-DOMZBBRYSA-N 1 0 286.416 2.040 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCS2)C12CCOCC2 ZINC000249034852 279872245 /nfs/dbraw/zinc/87/22/45/279872245.db2.gz TWHFLKZSLCXRPK-HZSPNIEDSA-N 1 0 285.453 2.446 10 0 CEAERO C[C@H]1CN(c2ncccc2Br)[C@@H](C)C[NH2+]1 ZINC000083118985 279892131 /nfs/dbraw/zinc/89/21/31/279892131.db2.gz HQIRJQLWOLYLIC-IUCAKERBSA-N 1 0 270.174 2.031 10 0 CEAERO Cc1cccc([C@H](C)[NH2+][C@@H](C)C[C@@H]2COCCN2)c1 ZINC000134120822 280013851 /nfs/dbraw/zinc/01/38/51/280013851.db2.gz QBUBRQPMWNHFNM-OFQRWUPVSA-N 1 0 262.397 2.413 10 0 CEAERO CCCC[C@@H](NC[C@H]1CCC[N@@H+]1CC(C)C)C(=O)OC ZINC000135256350 280040804 /nfs/dbraw/zinc/04/08/04/280040804.db2.gz NKXDDRKPXLYZSU-HUUCEWRRSA-N 1 0 284.444 2.428 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCCN2C)c1C ZINC000154616844 280092772 /nfs/dbraw/zinc/09/27/72/280092772.db2.gz WMLPPNAYBXHVSK-BXUZGUMPSA-N 1 0 264.417 2.265 10 0 CEAERO CC[C@@H](O)C[NH+]1CCN(C/C(C)=C/c2ccccc2)CC1 ZINC000123558601 280206786 /nfs/dbraw/zinc/20/67/86/280206786.db2.gz OKMSQYZLKDZUAB-IYICPGQYSA-N 1 0 288.435 2.478 10 0 CEAERO CCCC(CCC)C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000245567940 280250772 /nfs/dbraw/zinc/25/07/72/280250772.db2.gz XWUMEYFKVWEVOG-KBPBESRZSA-N 1 0 284.444 2.116 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@H](C)[C@H](C)C2)C1 ZINC000245891341 280264451 /nfs/dbraw/zinc/26/44/51/280264451.db2.gz JPLWMVZQWARAII-MCIONIFRSA-N 1 0 267.417 2.158 10 0 CEAERO CCc1cccc(CC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000246839087 280311334 /nfs/dbraw/zinc/31/13/34/280311334.db2.gz VDISKHFSWYMJGO-PBHICJAKSA-N 1 0 286.419 2.487 10 0 CEAERO Cc1cc(Br)cnc1N1CC[C@H]([NH+](C)C)C1 ZINC000113721918 280311665 /nfs/dbraw/zinc/31/16/65/280311665.db2.gz KDRGSZILLICGSO-NSHDSACASA-N 1 0 284.201 2.293 10 0 CEAERO Cc1cc(Br)cnc1N1C[C@H](C[NH3+])C[C@H]1C ZINC000228085985 280312027 /nfs/dbraw/zinc/31/20/27/280312027.db2.gz MFEACQWKCARNLW-ZJUUUORDSA-N 1 0 284.201 2.326 10 0 CEAERO O=C1O[C@H](C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)CC12CCC2 ZINC000192075957 280312567 /nfs/dbraw/zinc/31/25/67/280312567.db2.gz URHJEEZENDTCRT-GRDNDAEWSA-N 1 0 293.407 2.099 10 0 CEAERO Cc1cccc([C@H](C)[N@@H+]2CC[C@@H](N3CCOCC3)C2)c1 ZINC000247553472 280333337 /nfs/dbraw/zinc/33/33/37/280333337.db2.gz QDFLOGYVKQDFFV-DOTOQJQBSA-N 1 0 274.408 2.463 10 0 CEAERO CC[C@@H]1CCC[C@@H](C[N@@H+]2CCCNC(=O)[C@H]2C)C1 ZINC000248889000 280371845 /nfs/dbraw/zinc/37/18/45/280371845.db2.gz APCDDKVIRLGGHW-MGPQQGTHSA-N 1 0 252.402 2.413 10 0 CEAERO C[C@H](CC[NH2+][C@H]1CCO[C@H]1C)NC(=O)OC(C)(C)C ZINC000300206668 280577540 /nfs/dbraw/zinc/57/75/40/280577540.db2.gz ZXBYWHKXBSPJKV-WOPDTQHZSA-N 1 0 272.389 2.057 10 0 CEAERO Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CN(C)CCO1)[C@H](C)C2 ZINC000246039211 281120447 /nfs/dbraw/zinc/12/04/47/281120447.db2.gz WYHMSVCLLZTOSQ-UKPHBRMFSA-N 1 0 274.408 2.149 10 0 CEAERO CC1CCC(C[NH2+]CCCCS(C)(=O)=O)CC1 ZINC000424168459 281128687 /nfs/dbraw/zinc/12/86/87/281128687.db2.gz FUORLIROLKGYKK-UHFFFAOYSA-N 1 0 261.431 2.227 10 0 CEAERO Cc1ccccc1[C@@H](C)NC(=O)c1c[nH+]ccc1N ZINC000127507630 281356047 /nfs/dbraw/zinc/35/60/47/281356047.db2.gz DHNRJQBCLPBFJA-LLVKDONJSA-N 1 0 255.321 2.463 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000235300773 288326914 /nfs/dbraw/zinc/32/69/14/288326914.db2.gz KCUVLKDFBPUNAC-CHWFTXMASA-N 1 0 278.318 2.079 10 0 CEAERO Cc1csc2c1ncnc2N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261583688 281746117 /nfs/dbraw/zinc/74/61/17/281746117.db2.gz HKSQFRAVKLCAPG-AWEZNQCLSA-N 1 0 274.393 2.190 10 0 CEAERO Cc1csc2c1ncnc2N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000222352507 281746445 /nfs/dbraw/zinc/74/64/45/281746445.db2.gz RSIMGIRJKGCGGD-ONGXEEELSA-N 1 0 276.409 2.421 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NC1(C)CCC1 ZINC000159290973 289250176 /nfs/dbraw/zinc/25/01/76/289250176.db2.gz NBOZNPWEBKMIGC-GFCCVEGCSA-N 1 0 255.406 2.205 10 0 CEAERO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@H+](C)C[C@H]1CCCO1 ZINC000245382488 289359812 /nfs/dbraw/zinc/35/98/12/289359812.db2.gz JMGGHFOQIGLXDT-SQWLQELKSA-N 1 0 290.407 2.363 10 0 CEAERO C[C@H]1CN(C(=O)N[C@@H]2CC[C@@H](C)CC2)C[C@@H]1[NH+](C)C ZINC000465221112 290263610 /nfs/dbraw/zinc/26/36/10/290263610.db2.gz CRFQLZCTGDFXER-XUXIUFHCSA-N 1 0 267.417 2.157 10 0 CEAERO COC[C@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccccc1)C1CC1 ZINC000136666777 293156568 /nfs/dbraw/zinc/15/65/68/293156568.db2.gz RVOXUWTWKXEZQE-XEZPLFJOSA-N 1 0 290.407 2.267 10 0 CEAERO Cc1nc2c(s1)[C@@H]([NH2+][C@@H]1CCc3ncnn3C1)CCC2 ZINC000180589446 293432723 /nfs/dbraw/zinc/43/27/23/293432723.db2.gz OBMPCFLOXGTTAI-PWSUYJOCSA-N 1 0 289.408 2.025 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1c1ncccc1Br ZINC000044559865 295246676 /nfs/dbraw/zinc/24/66/76/295246676.db2.gz GMGYVEHABJQKAR-VIFPVBQESA-N 1 0 270.174 2.162 10 0 CEAERO C[C@@H]1CN(c2ncccc2Br)[C@@H](C)C[NH2+]1 ZINC000083118983 297085027 /nfs/dbraw/zinc/08/50/27/297085027.db2.gz HQIRJQLWOLYLIC-BDAKNGLRSA-N 1 0 270.174 2.031 10 0 CEAERO COc1ccc(C)cc1[C@@](O)([C@H](C)[NH3+])C(F)(F)F ZINC000062784627 523854419 /nfs/dbraw/zinc/85/44/19/523854419.db2.gz TWZZUEYCMASYCK-KWQFWETISA-N 1 0 263.259 2.101 10 0 CEAERO Cc1c(Br)cccc1CN[C@@H]1CC[NH2+]C1 ZINC000564987693 298866709 /nfs/dbraw/zinc/86/67/09/298866709.db2.gz FZKXBHVSKLJKML-LLVKDONJSA-N 1 0 269.186 2.209 10 0 CEAERO Cc1cccc(C2(NC(=O)C3C[NH2+]C3)CCCC2)c1 ZINC000262263754 301980907 /nfs/dbraw/zinc/98/09/07/301980907.db2.gz RNDIXNYNNKQFHP-UHFFFAOYSA-N 1 0 258.365 2.100 10 0 CEAERO Cc1nc(CN2C[C@@H](F)C[C@H]2C[NH2+][C@@H]2CCC[C@@H]2C)no1 ZINC000329999285 302592042 /nfs/dbraw/zinc/59/20/42/302592042.db2.gz UMSWAWUNKGNOQJ-DOERSZECSA-N 1 0 296.390 2.069 10 0 CEAERO FC(F)(F)c1cccnc1N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261579845 303119512 /nfs/dbraw/zinc/11/95/12/303119512.db2.gz FCJJPBFJEYYRRC-MWLCHTKSSA-N 1 0 271.286 2.289 10 0 CEAERO [NH3+][C@@H]1CCCN(C(=O)[C@H]2CCCO[C@H]2c2ccccc2)C1 ZINC000191335606 303455566 /nfs/dbraw/zinc/45/55/66/303455566.db2.gz UNSGCCVELKBIEQ-PMPSAXMXSA-N 1 0 288.391 2.104 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1CC(=O)NC(C1CC1)C1CC1 ZINC000261593509 303481980 /nfs/dbraw/zinc/48/19/80/303481980.db2.gz ZFEOEYRBHFCYRD-OLZOCXBDSA-N 1 0 250.386 2.199 10 0 CEAERO Cc1cccc(CCN2C[C@H]3CCCC[N@H+]3C[C@H]2C)n1 ZINC000576460710 314277840 /nfs/dbraw/zinc/27/78/40/314277840.db2.gz BIXZRSWHLWPBIO-NVXWUHKLSA-N 1 0 273.424 2.491 10 0 CEAERO C[C@@H]([NH2+][C@H]1CCCn2ncnc21)C1CCSCC1 ZINC000187286066 321757522 /nfs/dbraw/zinc/75/75/22/321757522.db2.gz XYIRBEVILGCWLP-PWSUYJOCSA-N 1 0 266.414 2.234 10 0 CEAERO [NH3+]C[C@@H]1CC[C@@H](Nc2ccc(OC(F)F)cn2)C1 ZINC000382446811 321840143 /nfs/dbraw/zinc/84/01/43/321840143.db2.gz BFZUXHSPZHXMMO-RKDXNWHRSA-N 1 0 257.284 2.222 10 0 CEAERO C[C@@]1(C(=O)NCC2CCC(C)(C)CC2)CCC[NH2+]1 ZINC000386149548 321868489 /nfs/dbraw/zinc/86/84/89/321868489.db2.gz CKLHCPCSFXKZSW-HNNXBMFYSA-N 1 0 252.402 2.461 10 0 CEAERO COc1ccc(CNC(=O)[C@]2(C)CCC[NH2+]2)cc1Cl ZINC000582295875 322461340 /nfs/dbraw/zinc/46/13/40/322461340.db2.gz OMVDYFJEYDGUMP-AWEZNQCLSA-N 1 0 282.771 2.107 10 0 CEAERO C[C@@H](C[NH2+]C[C@H](O)COCc1ccco1)CC(F)(F)F ZINC000396897736 329318334 /nfs/dbraw/zinc/31/83/34/329318334.db2.gz ABXIXXPDNADJLR-MNOVXSKESA-N 1 0 295.301 2.335 10 0 CEAERO CC(C)[NH2+]C[C@@H](C)Sc1nnc2ccccn21 ZINC000061408763 519723065 /nfs/dbraw/zinc/72/30/65/519723065.db2.gz JRVPPDUJHZJNOF-SNVBAGLBSA-N 1 0 250.371 2.208 10 0 CEAERO CC(C)[NH2+]C[C@@H]1CC[C@@H](COCc2ccco2)O1 ZINC000052602005 519723803 /nfs/dbraw/zinc/72/38/03/519723803.db2.gz FBLGNJUYAPUYFL-JSGCOSHPSA-N 1 0 253.342 2.342 10 0 CEAERO CC(C)[NH2+]Cc1cnc(N2CCOC(C)(C)C2)s1 ZINC000054904512 519728322 /nfs/dbraw/zinc/72/83/22/519728322.db2.gz RNSMOSHGLHEUSK-UHFFFAOYSA-N 1 0 269.414 2.256 10 0 CEAERO CC(C)[NH2+][C@@H](CC[N@H+](C)C1CCCCC1)C(=O)[O-] ZINC000062442992 519733883 /nfs/dbraw/zinc/73/38/83/519733883.db2.gz IBMFECXPPJCHEJ-ZDUSSCGKSA-N 1 0 256.390 2.092 10 0 CEAERO CC(C)[C@@H]1CN(CCn2cccn2)[C@H](C(C)(C)C)C[NH2+]1 ZINC000068703682 519804392 /nfs/dbraw/zinc/80/43/92/519804392.db2.gz HYPXHVBLYGCOIU-GJZGRUSLSA-N 1 0 278.444 2.228 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1cc(C(=O)NC)ccc1Cl ZINC000061292069 519905900 /nfs/dbraw/zinc/90/59/00/519905900.db2.gz NOKZGFGNDVXRJG-UHFFFAOYSA-N 1 0 297.786 2.026 10 0 CEAERO CCC[NH2+]Cc1cnc(N2C[C@@H](C)OC[C@@H]2C)s1 ZINC000054903456 519964032 /nfs/dbraw/zinc/96/40/32/519964032.db2.gz LAABJNUNZWSVCQ-WDEREUQCSA-N 1 0 269.414 2.256 10 0 CEAERO CCC[NH2+]Cc1sc(N(C)CCOC)nc1CC ZINC000055001772 519974331 /nfs/dbraw/zinc/97/43/31/519974331.db2.gz WKGMGRXVARSVKE-UHFFFAOYSA-N 1 0 271.430 2.288 10 0 CEAERO CCC[NH2+][C@@H](C)c1cc(C)ccc1OC[C@@H](O)COC ZINC000069053642 519987000 /nfs/dbraw/zinc/98/70/00/519987000.db2.gz XXKJLTGWDPJLGT-KBPBESRZSA-N 1 0 281.396 2.442 10 0 CEAERO CC[NH2+]Cc1sc(N(C)C2CCOCC2)nc1CC ZINC000054997879 520033073 /nfs/dbraw/zinc/03/30/73/520033073.db2.gz OCTNCEVTEJGHEZ-UHFFFAOYSA-N 1 0 283.441 2.430 10 0 CEAERO CCC[NH2+][C@@](C)(CCCCn1nc(C)c(C)c1C)C(N)=O ZINC000045438060 520033554 /nfs/dbraw/zinc/03/35/54/520033554.db2.gz WWYMHEZXFGIQTN-INIZCTEOSA-N 1 0 294.443 2.222 10 0 CEAERO CCCN[C@@](C)(C[C@@H](C)[N@H+](C)[C@@H](C)CC(C)C)C(N)=O ZINC000068636757 520041680 /nfs/dbraw/zinc/04/16/80/520041680.db2.gz CZKHFRUFZMFISR-LZWOXQAQSA-N 1 0 285.476 2.375 10 0 CEAERO CCCN[C@@](C)(C[C@H](C)[N@H+](C)CC1CCCC1)C(N)=O ZINC000068646981 520044014 /nfs/dbraw/zinc/04/40/14/520044014.db2.gz NQUBRKKVRNCPHE-BBRMVZONSA-N 1 0 283.460 2.131 10 0 CEAERO CCC[NH2+][C@H](C)COc1cc(OC)cc(OC)c1 ZINC000068967114 520062112 /nfs/dbraw/zinc/06/21/12/520062112.db2.gz IIWUZUSTSLDDSG-LLVKDONJSA-N 1 0 253.342 2.471 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1ccc2[nH]c(C)nc2c1 ZINC000061271106 520069800 /nfs/dbraw/zinc/06/98/00/520069800.db2.gz AWXHBSXUOWFWIY-VIFPVBQESA-N 1 0 260.341 2.198 10 0 CEAERO CCCN[C@H](CC[N@H+](CC)C(C)C)C(=O)OCC ZINC000062445853 520072690 /nfs/dbraw/zinc/07/26/90/520072690.db2.gz UIFQGVMARWRSMQ-CYBMUJFWSA-N 1 0 258.406 2.038 10 0 CEAERO CCCN[C@H](CC[NH+]1CCC(C)(C)CC1)C(=O)OCC ZINC000062532959 520074652 /nfs/dbraw/zinc/07/46/52/520074652.db2.gz OJUZDQICYSJURE-CQSZACIVSA-N 1 0 284.444 2.430 10 0 CEAERO CC[NH2+][C@@H](CCOc1ccc(C(C)C)c(C)c1)C(N)=O ZINC000062548858 520089874 /nfs/dbraw/zinc/08/98/74/520089874.db2.gz RWAAKGQBUFCQBL-HNNXBMFYSA-N 1 0 278.396 2.351 10 0 CEAERO CC[NH2+][C@@H](CN1CCN(C)c2ccccc21)C1CC1 ZINC000069075869 520099797 /nfs/dbraw/zinc/09/97/97/520099797.db2.gz PMHBIVVJKDBIFV-AWEZNQCLSA-N 1 0 259.397 2.331 10 0 CEAERO CC[NH2+][C@@H](Cc1cccc(C)c1)C(C)(C)S(C)(=O)=O ZINC000070130083 520104752 /nfs/dbraw/zinc/10/47/52/520104752.db2.gz IKQQMGGHXHAWTI-AWEZNQCLSA-N 1 0 283.437 2.339 10 0 CEAERO CCCN[C@](C)(C[C@H](C)[NH+]1CCC(CC)CC1)C(N)=O ZINC000068638264 520114423 /nfs/dbraw/zinc/11/44/23/520114423.db2.gz RXFVJFVIMBRNMP-XJKSGUPXSA-N 1 0 283.460 2.131 10 0 CEAERO CC[NH2+][C@@](C)(CCCSc1nc(C)cs1)C(N)=O ZINC000045587840 520132242 /nfs/dbraw/zinc/13/22/42/520132242.db2.gz XXLKSAMQIMANBF-LBPRGKRZSA-N 1 0 287.454 2.177 10 0 CEAERO CCN[C@H](CC[N@H+](CC(C)C)C(C)C)C(=O)OCC ZINC000062525235 520186535 /nfs/dbraw/zinc/18/65/35/520186535.db2.gz JOWZIRNFPIRZTR-CQSZACIVSA-N 1 0 272.433 2.284 10 0 CEAERO CCNc1cc(CN2CCC([NH+](C)C)CC2)ccn1 ZINC000052720866 520271839 /nfs/dbraw/zinc/27/18/39/520271839.db2.gz QSRGMGOEZFVIHJ-UHFFFAOYSA-N 1 0 262.401 2.039 10 0 CEAERO CCCCOCCOC[C@@H](O)C[NH2+][C@H](C)CCCC ZINC000050888331 520788372 /nfs/dbraw/zinc/78/83/72/520788372.db2.gz DEMHYHUARUQVFC-CABCVRRESA-N 1 0 275.433 2.349 10 0 CEAERO CCCCSC[C@]([NH2+]C(C)C)(C(N)=O)C1CC1 ZINC000069184159 520957918 /nfs/dbraw/zinc/95/79/18/520957918.db2.gz DCTONKYNXXTKMC-CYBMUJFWSA-N 1 0 258.431 2.152 10 0 CEAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+]C[C@H](C)CSC ZINC000069447873 521341118 /nfs/dbraw/zinc/34/11/18/521341118.db2.gz ZFSNMBHSBYEZDS-QWRGUYRKSA-N 1 0 260.447 2.268 10 0 CEAERO CCCc1nc(N2CCN(CC)CC2)sc1C[NH2+]CC ZINC000054994805 521531855 /nfs/dbraw/zinc/53/18/55/521531855.db2.gz SXKFKDOCCYQHBW-UHFFFAOYSA-N 1 0 296.484 2.347 10 0 CEAERO CCCN(CC(F)(F)F)CC1(C[NH2+]C)CCOCC1 ZINC000052182292 521585079 /nfs/dbraw/zinc/58/50/79/521585079.db2.gz MYJDEGLGUUZKDU-UHFFFAOYSA-N 1 0 282.350 2.277 10 0 CEAERO CCCn1c(S[C@@H](C[NH3+])c2ccc(C)s2)n[nH]c1=O ZINC000061594861 521635156 /nfs/dbraw/zinc/63/51/56/521635156.db2.gz AHOBDJQEMUZHCX-JTQLQIEISA-N 1 0 298.437 2.143 10 0 CEAERO CCS(=O)(=O)CC[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+] ZINC000054630583 521644840 /nfs/dbraw/zinc/64/48/40/521644840.db2.gz ZBIIHIUBMAYBKK-UPJWGTAASA-N 1 0 261.431 2.211 10 0 CEAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(C)c(OC)c1C ZINC000061300624 521941558 /nfs/dbraw/zinc/94/15/58/521941558.db2.gz NXSAHYWOEIZVLC-UHFFFAOYSA-N 1 0 250.342 2.249 10 0 CEAERO CC[C@@H](C)C[C@H](C[NH2+]C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000052951755 522026745 /nfs/dbraw/zinc/02/67/45/522026745.db2.gz CXCIQQPZZWWDNV-JHJVBQTASA-N 1 0 273.442 2.226 10 0 CEAERO CC[C@@H](C)C[C@H](CC)[NH2+]C[C@@H]1CN(C)CCN1C ZINC000068802812 522026867 /nfs/dbraw/zinc/02/68/67/522026867.db2.gz PGYASLLMAPYXOZ-QLFBSQMISA-N 1 0 255.450 2.037 10 0 CEAERO C[NH2+]C[C@@H](OC[C@H]1CCOC1)c1ccccc1OC ZINC000050501839 522037293 /nfs/dbraw/zinc/03/72/93/522037293.db2.gz QQGXUJZNDHZXRI-SWLSCSKDSA-N 1 0 265.353 2.009 10 0 CEAERO C[NH2+]C[C@H](C)N(C)Cc1ccc(Br)cc1 ZINC000052371711 522072446 /nfs/dbraw/zinc/07/24/46/522072446.db2.gz BCQOIKJPFOFKDC-JTQLQIEISA-N 1 0 271.202 2.489 10 0 CEAERO CC[C@@H](C)[N@H+](CCOC)C[C@H](O)c1ccccc1 ZINC000048069094 522091837 /nfs/dbraw/zinc/09/18/37/522091837.db2.gz CNLTUHGFNDTXIT-HIFRSBDPSA-N 1 0 251.370 2.467 10 0 CEAERO C[NH2+]Cc1sc(N2CCO[C@@H]3CCCC[C@@H]32)nc1C ZINC000055001804 522166797 /nfs/dbraw/zinc/16/67/97/522166797.db2.gz PRBWLRCMZKXNKU-NWDGAFQWSA-N 1 0 281.425 2.319 10 0 CEAERO CC[C@H](C[NH2+]CCOC)Cc1cccc(OC)c1 ZINC000054663420 522193492 /nfs/dbraw/zinc/19/34/92/522193492.db2.gz UGYPHJOYHMINPF-ZDUSSCGKSA-N 1 0 251.370 2.500 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)Nc1ccc(F)cc1OC ZINC000049569985 522227543 /nfs/dbraw/zinc/22/75/43/522227543.db2.gz LTUODILYAJMFER-SECBINFHSA-N 1 0 254.305 2.161 10 0 CEAERO CCc1nc(N2CCN(C)CC2)sc1C[NH2+]C(C)(C)C ZINC000054995380 522386370 /nfs/dbraw/zinc/38/63/70/522386370.db2.gz RNDPGDKRRYYBKA-UHFFFAOYSA-N 1 0 296.484 2.345 10 0 CEAERO CN[C@@](C[N@H+](C)CC1CCCCC1)(C(=O)OC)C1CC1 ZINC000069183907 522423870 /nfs/dbraw/zinc/42/38/70/522423870.db2.gz WGBRTOLWXPKKBX-MRXNPFEDSA-N 1 0 282.428 2.040 10 0 CEAERO CCCN1C(=O)CC[C@H]([NH3+])[C@@H]1c1ccc(OC)cc1OC ZINC000070986071 517584007 /nfs/dbraw/zinc/58/40/07/517584007.db2.gz FBPIICUQSFWNCJ-BBRMVZONSA-N 1 0 292.379 2.105 10 0 CEAERO [NH3+]C[C@@H](c1c(F)cccc1Cl)[C@H](O)C(F)(F)F ZINC000087349566 518197451 /nfs/dbraw/zinc/19/74/51/518197451.db2.gz WOMNNCZIUJDLFH-CDUCUWFYSA-N 1 0 271.641 2.445 10 0 CEAERO CC(C)(C)[NH2+]Cc1cc(CN2CCOCC2(C)C)on1 ZINC000052546118 518764413 /nfs/dbraw/zinc/76/44/13/518764413.db2.gz BZZNKDPHXJRXML-UHFFFAOYSA-N 1 0 281.400 2.174 10 0 CEAERO CC(C)(C)[NH2+]Cc1ccccc1CN1CCS(=O)CC1 ZINC000052516512 518765814 /nfs/dbraw/zinc/76/58/14/518765814.db2.gz FMMNIQHHHZAKBE-UHFFFAOYSA-N 1 0 294.464 2.139 10 0 CEAERO CC(C)(C)[NH2+]Cc1cnn(C[C@@H]2CCCCO2)c1 ZINC000054720128 518768926 /nfs/dbraw/zinc/76/89/26/518768926.db2.gz ZXVCSWYYOTUBIR-ZDUSSCGKSA-N 1 0 251.374 2.340 10 0 CEAERO CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC[NH2+]CC1 ZINC000061270202 518935228 /nfs/dbraw/zinc/93/52/28/518935228.db2.gz WFJCSNOGIJQEGL-CABCVRRESA-N 1 0 295.471 2.003 10 0 CEAERO CC(C)C[C@H](CO)[NH2+]CCCOc1ccccc1 ZINC000061815726 519362702 /nfs/dbraw/zinc/36/27/02/519362702.db2.gz AMEIZWIJVOIDIP-CQSZACIVSA-N 1 0 251.370 2.452 10 0 CEAERO CC(=O)N(C)Cc1ccccc1NC[C@@H]1CCC[N@H+](C)C1 ZINC000054241393 519449486 /nfs/dbraw/zinc/44/94/86/519449486.db2.gz HMTYLYARKHBVGB-HNNXBMFYSA-N 1 0 289.423 2.419 10 0 CEAERO CC(C)CCCOC[C@@]([NH2+]C(C)C)(C(N)=O)C1CC1 ZINC000069195780 519643026 /nfs/dbraw/zinc/64/30/26/519643026.db2.gz ACCMZZRASOEOIB-HNNXBMFYSA-N 1 0 270.417 2.071 10 0 CEAERO CC(C)N(CC[NH2+]C1CCOCC1)CC(F)(F)F ZINC000062767755 519648160 /nfs/dbraw/zinc/64/81/60/519648160.db2.gz DTRCITKSLKBRIG-UHFFFAOYSA-N 1 0 268.323 2.028 10 0 CEAERO CC(C)CCNC(=O)[C@@H](C)[NH2+]C(C1CC1)C1CC1 ZINC000049234973 519658756 /nfs/dbraw/zinc/65/87/56/519658756.db2.gz NFMFLTWAGVDPBL-LLVKDONJSA-N 1 0 252.402 2.315 10 0 CEAERO CC(C)[N@@H+]1CC[C@@H](CNc2nc(Cl)nc(Cl)n2)C1 ZINC000061519060 519686800 /nfs/dbraw/zinc/68/68/00/519686800.db2.gz QPNGZSVXZFPVTR-QMMMGPOBSA-N 1 0 290.198 2.321 10 0 CEAERO CC(C)[NH2+]CCOCc1ccn(-c2ccccc2)n1 ZINC000061641233 519721784 /nfs/dbraw/zinc/72/17/84/519721784.db2.gz DYLUSAVHNVAOSE-UHFFFAOYSA-N 1 0 259.353 2.387 10 0 CEAERO CC(C)[NH2+]CCc1nnc(-c2ccc3c(c2)OCO3)o1 ZINC000050620292 519722898 /nfs/dbraw/zinc/72/28/98/519722898.db2.gz RUUKMRCBFWSYRU-UHFFFAOYSA-N 1 0 275.308 2.006 10 0 CEAERO CC(C)[NH2+]C[C@@H](C)Cn1cc(Br)ccc1=O ZINC000070068166 519723193 /nfs/dbraw/zinc/72/31/93/519723193.db2.gz OTVARRBCQIUXLS-SNVBAGLBSA-N 1 0 287.201 2.245 10 0 CEAERO CC(C)[NH2+]C[C@@H]1CCCN1c1ccccc1S(C)(=O)=O ZINC000053694174 519723570 /nfs/dbraw/zinc/72/35/70/519723570.db2.gz KRLAHORWVSTDCR-ZDUSSCGKSA-N 1 0 296.436 2.057 10 0 CEAERO CC(C)[NH2+]C[C@@H]1CC[C@H](COC[C@@H]2CCCCO2)O1 ZINC000052605231 519723913 /nfs/dbraw/zinc/72/39/13/519723913.db2.gz BMMTXUZAVXBCLK-SOUVJXGZSA-N 1 0 271.401 2.118 10 0 CEAERO CC(C)C[NH+]1CCN(Cc2ccc(C(N)=S)cc2)CC1 ZINC000055079491 519727124 /nfs/dbraw/zinc/72/71/24/519727124.db2.gz UVWLSYVTZGYGQQ-UHFFFAOYSA-N 1 0 291.464 2.094 10 0 CEAERO CC(C)[NH2+]Cc1coc(CN2CCSCC2)c1 ZINC000052425665 519728896 /nfs/dbraw/zinc/72/88/96/519728896.db2.gz XFMMXEWOZOYMEM-UHFFFAOYSA-N 1 0 254.399 2.326 10 0 CEAERO CC(C)[NH2+][C@H](CCSc1ccccc1F)C(N)=O ZINC000062598459 519738494 /nfs/dbraw/zinc/73/84/94/519738494.db2.gz MPQSRWOSBTYUQZ-LLVKDONJSA-N 1 0 270.373 2.160 10 0 CEAERO CC(C)[NH2+][C@](C)(CCCn1ncc2ccccc21)C(N)=O ZINC000050528040 519739684 /nfs/dbraw/zinc/73/96/84/519739684.db2.gz PAVCNKKBALCLSQ-MRXNPFEDSA-N 1 0 288.395 2.059 10 0 CEAERO CC(C)[NH2+][C@](CSc1ccccc1)(C(N)=O)C1CC1 ZINC000069185524 519740845 /nfs/dbraw/zinc/74/08/45/519740845.db2.gz HQDQHOLWRVEEIX-HNNXBMFYSA-N 1 0 278.421 2.411 10 0 CEAERO CC(C)C[NH2+]C[C@H]1CCCCN1C1CCOCC1 ZINC000069311307 519746146 /nfs/dbraw/zinc/74/61/46/519746146.db2.gz NVNZFAHEMOEVOY-OAHLLOKOSA-N 1 0 254.418 2.266 10 0 CEAERO CC(C)C[NH2+]Cc1cccnc1N1CCO[C@@H](C)C1 ZINC000051400115 519747873 /nfs/dbraw/zinc/74/78/73/519747873.db2.gz DYKWFMRHHGNZRS-ZDUSSCGKSA-N 1 0 263.385 2.052 10 0 CEAERO CC(C)C[NH2+]Cc1cnc(N2CCOC[C@H]2C)s1 ZINC000054903534 519748418 /nfs/dbraw/zinc/74/84/18/519748418.db2.gz AIUQYWODGYYSNQ-LLVKDONJSA-N 1 0 269.414 2.114 10 0 CEAERO CC(C)C[NH2+]Cc1nnnn1[C@@H]1CCCc2sccc21 ZINC000061367293 519748809 /nfs/dbraw/zinc/74/88/09/519748809.db2.gz RPZFYKZHHBTLQE-GFCCVEGCSA-N 1 0 291.424 2.406 10 0 CEAERO CC(C)OCCOC[C@@H](O)C[NH2+][C@@H](C)C1CCCCC1 ZINC000052337132 519768622 /nfs/dbraw/zinc/76/86/22/519768622.db2.gz XTZRINUNXXIIIP-HOCLYGCPSA-N 1 0 287.444 2.347 10 0 CEAERO CC(C)OCCOc1cc(C(N)=[NH2+])c2ccccc2n1 ZINC000068798211 519768977 /nfs/dbraw/zinc/76/89/77/519768977.db2.gz XGWVGAVWLCIBGQ-UHFFFAOYSA-N 1 0 273.336 2.323 10 0 CEAERO CC(C)C[C@@H](C[NH+](C)C)Nc1nccn(C(C)C)c1=O ZINC000061765400 519776267 /nfs/dbraw/zinc/77/62/67/519776267.db2.gz ZISCJQOZCRQISW-ZDUSSCGKSA-N 1 0 280.416 2.212 10 0 CEAERO CC(C)Oc1cccc(C(=O)N[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000061666814 519782493 /nfs/dbraw/zinc/78/24/93/519782493.db2.gz ZRGLZBBDSFIOKW-LSDHHAIUSA-N 1 0 276.380 2.474 10 0 CEAERO CC(C)[C@@H]1CN(CCOCC(F)(F)F)[C@H](C2CC2)C[NH2+]1 ZINC000068703498 519804506 /nfs/dbraw/zinc/80/45/06/519804506.db2.gz IKFWQRMJVKYSNM-STQMWFEESA-N 1 0 294.361 2.274 10 0 CEAERO CC(C)[C@H]1CN(Cc2ccn(C3CCCC3)n2)CC[NH2+]1 ZINC000068692551 519826827 /nfs/dbraw/zinc/82/68/27/519826827.db2.gz NVVUVJWWUHTAJI-MRXNPFEDSA-N 1 0 276.428 2.428 10 0 CEAERO CCC1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C)CC1 ZINC000055134679 519858298 /nfs/dbraw/zinc/85/82/98/519858298.db2.gz GTBWUJWHZJGEPX-MRVWCRGKSA-N 1 0 252.402 2.399 10 0 CEAERO CCC1CC[NH+](C[C@@H](O)c2ccc(C(N)=S)cc2)CC1 ZINC000048908037 519859154 /nfs/dbraw/zinc/85/91/54/519859154.db2.gz LMGJWBZQSSCDDO-OAHLLOKOSA-N 1 0 292.448 2.476 10 0 CEAERO CCCC1(C(=O)N[C@@H](C)c2ccccn2)CC[NH2+]CC1 ZINC000062848181 519888239 /nfs/dbraw/zinc/88/82/39/519888239.db2.gz FFJZTOFLHLIPBZ-ZDUSSCGKSA-N 1 0 275.396 2.429 10 0 CEAERO CCCC1CC[NH+](CC[C@](C)(NC)C(=O)OC)CC1 ZINC000050905729 519901349 /nfs/dbraw/zinc/90/13/49/519901349.db2.gz SZEIQERIMRPRLJ-HNNXBMFYSA-N 1 0 270.417 2.040 10 0 CEAERO CCCC1CC[NH+]([C@@H]2CC3(CC[C@@H]2O)OCCO3)CC1 ZINC000050905290 519903352 /nfs/dbraw/zinc/90/33/52/519903352.db2.gz CKPGIMHMRSOSSM-CABCVRRESA-N 1 0 283.412 2.155 10 0 CEAERO CC(C)c1noc(COc2ccc(CC[NH3+])cc2)n1 ZINC000049338566 519904524 /nfs/dbraw/zinc/90/45/24/519904524.db2.gz NOSUIQGOEHULFL-UHFFFAOYSA-N 1 0 261.325 2.273 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000061289782 519904603 /nfs/dbraw/zinc/90/46/03/519904603.db2.gz YUCOADLFZYGFDI-CHWSQXEVSA-N 1 0 252.402 2.413 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1cc(OC)ccc1OC ZINC000061287063 519906946 /nfs/dbraw/zinc/90/69/46/519906946.db2.gz FNHXXPAOBZAAJS-UHFFFAOYSA-N 1 0 266.341 2.030 10 0 CEAERO CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2c1cnn(C)c1 ZINC000054602034 519907377 /nfs/dbraw/zinc/90/73/77/519907377.db2.gz JNCWLLZSZQXRMC-AGUYFDCRSA-N 1 0 262.401 2.310 10 0 CEAERO CC[NH2+]C1CCN(C[C@@H]2Cc3ccccc3O2)CC1 ZINC000051086774 519908608 /nfs/dbraw/zinc/90/86/08/519908608.db2.gz XHBANDHEPIYHPL-HNNXBMFYSA-N 1 0 260.381 2.064 10 0 CEAERO CCC[NH2+]CC1(CN2CCO[C@H]3CCC[C@@H]32)CCOCC1 ZINC000052182841 519910621 /nfs/dbraw/zinc/91/06/21/519910621.db2.gz GETYWJDINXIGPU-HOTGVXAUSA-N 1 0 296.455 2.036 10 0 CEAERO CCN(C(=O)CN1CCCC[C@H]1[C@@H](C)[NH3+])C1=CCCC1 ZINC000063195206 519912568 /nfs/dbraw/zinc/91/25/68/519912568.db2.gz DCIPHWAILHHBRD-HIFRSBDPSA-N 1 0 279.428 2.104 10 0 CEAERO CCC[NH2+]CCCN1c2ccc(CC)cc2C(=O)C1=O ZINC000048785511 519913502 /nfs/dbraw/zinc/91/35/02/519913502.db2.gz DKQLDDIOWMSRBE-UHFFFAOYSA-N 1 0 274.364 2.168 10 0 CEAERO CC[NH2+]CCC(=O)N(C)Cc1c(F)cccc1Cl ZINC000061293999 519915333 /nfs/dbraw/zinc/91/53/33/519915333.db2.gz CREGONOPMBCEQM-UHFFFAOYSA-N 1 0 272.751 2.437 10 0 CEAERO CC[NH2+]CCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000061288655 519915777 /nfs/dbraw/zinc/91/57/77/519915777.db2.gz FQMIKTPZZGNUFW-UHFFFAOYSA-N 1 0 274.408 2.467 10 0 CEAERO CC[NH2+]CCC(=O)N[C@H](C)c1ccccc1OC(F)F ZINC000061292342 519917071 /nfs/dbraw/zinc/91/70/71/519917071.db2.gz OLGCHQUJBKDYHE-SNVBAGLBSA-N 1 0 286.322 2.465 10 0 CEAERO CC[NH2+]CCC(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000061290549 519918226 /nfs/dbraw/zinc/91/82/26/519918226.db2.gz BIYVDLURLGRIMC-UHFFFAOYSA-N 1 0 264.325 2.132 10 0 CEAERO CC[NH2+]CCC(=O)Nc1cccc(Cl)c1N(C)C ZINC000061290175 519918469 /nfs/dbraw/zinc/91/84/69/519918469.db2.gz XMOYTPHJJFIGOI-UHFFFAOYSA-N 1 0 269.776 2.344 10 0 CEAERO CCC[NH2+]CCc1nnc(-c2ccc(C)c(O)c2)o1 ZINC000050620077 519919536 /nfs/dbraw/zinc/91/95/36/519919536.db2.gz JRVKASQAJRHWFM-UHFFFAOYSA-N 1 0 261.325 2.293 10 0 CEAERO CCC[NH2+]C[C@@H](C)N1CCc2cc(OC)c(OC)cc2C1 ZINC000052417225 519920518 /nfs/dbraw/zinc/92/05/18/519920518.db2.gz IXDCPHALSCHXOT-CYBMUJFWSA-N 1 0 292.423 2.450 10 0 CEAERO CC[NH2+]CCc1nnc(-c2ccc(Br)cn2)o1 ZINC000061871432 519930353 /nfs/dbraw/zinc/93/03/53/519930353.db2.gz SSOCZLXAVKSKJB-UHFFFAOYSA-N 1 0 297.156 2.046 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1cccc(NC(=O)CC)c1 ZINC000061267085 519941748 /nfs/dbraw/zinc/94/17/48/519941748.db2.gz FYVMWTXZWZOYNE-LLVKDONJSA-N 1 0 277.368 2.219 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1nc2ccc(OC)cc2s1 ZINC000061227684 519942911 /nfs/dbraw/zinc/94/29/11/519942911.db2.gz AFNVIDHTFIXXTG-SECBINFHSA-N 1 0 293.392 2.489 10 0 CEAERO CCC[NH2+]Cc1ccc(N2CCOCC2(C)C)nc1 ZINC000051493021 519949654 /nfs/dbraw/zinc/94/96/54/519949654.db2.gz CSKPUOVVVWHPNU-UHFFFAOYSA-N 1 0 263.385 2.196 10 0 CEAERO CC[NH2+]C[C@@H]1CCN(c2cc(OC)ccc2OC)C1 ZINC000053011185 519951484 /nfs/dbraw/zinc/95/14/84/519951484.db2.gz MBPRYNHLBKROLJ-LBPRGKRZSA-N 1 0 264.369 2.140 10 0 CEAERO CC[NH2+]C[C@@H]1CC[C@H](COc2c(OC)cccc2OC)O1 ZINC000052650215 519955664 /nfs/dbraw/zinc/95/56/64/519955664.db2.gz BMUXGOXQHQGNKW-QWHCGFSZSA-N 1 0 295.379 2.240 10 0 CEAERO CC(C)n1cc(Cl)cc1C(=O)NCC[NH2+]C1CC1 ZINC000054265299 519961800 /nfs/dbraw/zinc/96/18/00/519961800.db2.gz INQOVJZZYDMPIH-UHFFFAOYSA-N 1 0 269.776 2.204 10 0 CEAERO CCC[NH2+]Cc1cnn([C@H]2CCCCC[C@@H]2O)c1 ZINC000054600472 519966114 /nfs/dbraw/zinc/96/61/14/519966114.db2.gz QYPTXMAWXHVMQB-KBPBESRZSA-N 1 0 251.374 2.249 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccc(NC(=O)OC)cc1 ZINC000061233718 519967775 /nfs/dbraw/zinc/96/77/75/519967775.db2.gz FUOBPWZGIVPAFE-JTQLQIEISA-N 1 0 279.340 2.049 10 0 CEAERO CC[NH2+]C[C@H](C)c1nc(Cc2ccc(OC)cc2)no1 ZINC000061220517 519971366 /nfs/dbraw/zinc/97/13/66/519971366.db2.gz QPRJYJRPMAFZJJ-NSHDSACASA-N 1 0 275.352 2.382 10 0 CEAERO CCC[NH2+]Cc1sc(N2CCN(C)CC2)nc1CCC ZINC000054995338 519974915 /nfs/dbraw/zinc/97/49/15/519974915.db2.gz DBVPDKFYQPAYGV-UHFFFAOYSA-N 1 0 296.484 2.347 10 0 CEAERO CC[NH2+]C[C@H]1OCCN(C)[C@@H]1c1cccc2cccnc21 ZINC000070285066 519981366 /nfs/dbraw/zinc/98/13/66/519981366.db2.gz UMWCOCYYBCZZKN-NVXWUHKLSA-N 1 0 285.391 2.216 10 0 CEAERO CC[NH2+]C[C@H]1CC[C@H](COc2ccc(OC)cc2)O1 ZINC000052676866 519981762 /nfs/dbraw/zinc/98/17/62/519981762.db2.gz FKKWEFPUGMBKFZ-HUUCEWRRSA-N 1 0 265.353 2.231 10 0 CEAERO CC[NH2+]Cc1c(C)nn(C)c1N(C)C(C)(C)CC ZINC000069441943 519983372 /nfs/dbraw/zinc/98/33/72/519983372.db2.gz QDCYSPVJJRZNAS-UHFFFAOYSA-N 1 0 252.406 2.463 10 0 CEAERO CCC[NH2+][C@@H](C)CCCN1C(=O)Cc2ccccc2C1=O ZINC000045604425 519984812 /nfs/dbraw/zinc/98/48/12/519984812.db2.gz ZNJPAYUEARMDSQ-ZDUSSCGKSA-N 1 0 288.391 2.380 10 0 CEAERO CC[NH2+]Cc1cc(C)ccc1OC[C@H](O)C(F)(F)F ZINC000068878186 519985301 /nfs/dbraw/zinc/98/53/01/519985301.db2.gz KDFRECPZGXJHSM-LBPRGKRZSA-N 1 0 277.286 2.407 10 0 CEAERO CC[NH2+]Cc1cc(C)ccc1OC[C@@H](O)C(F)(F)F ZINC000068878189 519985772 /nfs/dbraw/zinc/98/57/72/519985772.db2.gz KDFRECPZGXJHSM-GFCCVEGCSA-N 1 0 277.286 2.407 10 0 CEAERO CCC[NH2+][C@@H](C)c1cccc(S(=O)(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000052295407 519988742 /nfs/dbraw/zinc/98/87/42/519988742.db2.gz IHTOINBPONNXBF-SLEUVZQESA-N 1 0 296.436 2.434 10 0 CEAERO CCC[NH2+][C@@H](C)c1cnn([C@H]2CCC[C@@H]2O)c1C ZINC000054599609 519991790 /nfs/dbraw/zinc/99/17/90/519991790.db2.gz RXCKHAGOXZAFRT-BPNCWPANSA-N 1 0 251.374 2.338 10 0 CEAERO CC[NH2+]Cc1cc(N2C[C@H](C)OC(C)(C)C2)ccn1 ZINC000051488622 519992841 /nfs/dbraw/zinc/99/28/41/519992841.db2.gz STSRJPMQSOVJJR-LBPRGKRZSA-N 1 0 263.385 2.195 10 0 CEAERO CC[NH2+]Cc1ccc(CN2CCO[C@@H](CC)C2)cc1 ZINC000052477316 519995148 /nfs/dbraw/zinc/99/51/48/519995148.db2.gz FHWSAPRDHDKVPV-INIZCTEOSA-N 1 0 262.397 2.407 10 0 CEAERO CC[NH2+]Cc1ccc(OC[C@H](O)C(F)(F)F)c(OC)c1 ZINC000068876163 519999153 /nfs/dbraw/zinc/99/91/53/519999153.db2.gz KKGQNTLKDNHAJZ-LBPRGKRZSA-N 1 0 293.285 2.107 10 0 CEAERO CCC[NH2+][C@@H](CN1c2ccccc2OCC1=O)C1CC1 ZINC000069077119 520009128 /nfs/dbraw/zinc/00/91/28/520009128.db2.gz NQLJOLUHGAVREX-ZDUSSCGKSA-N 1 0 274.364 2.190 10 0 CEAERO CC[NH2+]Cc1ccnc(Cc2cc(F)cc(F)c2)n1 ZINC000054791233 520010367 /nfs/dbraw/zinc/01/03/67/520010367.db2.gz VMPOFBQJIWSIAU-UHFFFAOYSA-N 1 0 263.291 2.455 10 0 CEAERO CCC[NH2+][C@@H](CS(C)(=O)=O)c1ccccc1Cl ZINC000052789225 520010793 /nfs/dbraw/zinc/01/07/93/520010793.db2.gz UYEPHFQNNWJHDI-LBPRGKRZSA-N 1 0 275.801 2.425 10 0 CEAERO CC[NH2+]Cc1nnc(-c2ccc(OC(F)F)cc2)o1 ZINC000050615523 520023239 /nfs/dbraw/zinc/02/32/39/520023239.db2.gz ADQIEJNIEMMDTO-UHFFFAOYSA-N 1 0 269.251 2.448 10 0 CEAERO CC(C)n1ccnc(N[C@H](C)C[NH+]2CCCCC2)c1=O ZINC000061765111 520023951 /nfs/dbraw/zinc/02/39/51/520023951.db2.gz SNGBXNJSYYFWSM-CYBMUJFWSA-N 1 0 278.400 2.111 10 0 CEAERO CC[NH2+]Cc1nccn1CC(=O)Nc1ccccc1Cl ZINC000051004874 520024050 /nfs/dbraw/zinc/02/40/50/520024050.db2.gz FNIVAEPOBHWUNS-UHFFFAOYSA-N 1 0 292.770 2.285 10 0 CEAERO CC[NH2+]Cc1nnc(-c2cccc3cccnc32)o1 ZINC000061439312 520025746 /nfs/dbraw/zinc/02/57/46/520025746.db2.gz HEBXUPFRZYEKDG-UHFFFAOYSA-N 1 0 254.293 2.394 10 0 CEAERO CC[NH2+]Cc1oc(CN2C[C@@H](C)O[C@H](C)C2)cc1C ZINC000052381009 520026634 /nfs/dbraw/zinc/02/66/34/520026634.db2.gz WVQSFBCRVCCIKH-CHWSQXEVSA-N 1 0 266.385 2.307 10 0 CEAERO CC[NH2+]Cc1sc(N2CCOCC2(C)C)nc1CC ZINC000055001894 520034180 /nfs/dbraw/zinc/03/41/80/520034180.db2.gz LOSPQOPQRSEAFO-UHFFFAOYSA-N 1 0 283.441 2.430 10 0 CEAERO CC[NH2+]Cc1sc(N2CCO[C@@H](C)C2)nc1C1CC1 ZINC000069146718 520034309 /nfs/dbraw/zinc/03/43/09/520034309.db2.gz QRYSDBPQBQIEJE-JTQLQIEISA-N 1 0 281.425 2.355 10 0 CEAERO CC[NH2+]Cc1sc(N2CCO[C@@H]3CCC[C@@H]32)nc1C ZINC000054999059 520035153 /nfs/dbraw/zinc/03/51/53/520035153.db2.gz FRBMLFGWMCZECR-NWDGAFQWSA-N 1 0 281.425 2.319 10 0 CEAERO CCCN[C@@](C)(CC[N@H+](CC)CC1CC1)C(=O)OC ZINC000069239685 520037231 /nfs/dbraw/zinc/03/72/31/520037231.db2.gz ZPOKZRMDHUTYHB-HNNXBMFYSA-N 1 0 270.417 2.040 10 0 CEAERO CCCN[C@@](C[NH+]1CCC(C)CC1)(C(=O)OCC)C1CC1 ZINC000069092548 520053104 /nfs/dbraw/zinc/05/31/04/520053104.db2.gz UVAIZDVTCAGGLJ-QGZVFWFLSA-N 1 0 296.455 2.430 10 0 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2.184 10 0 CEAERO CCC[NH2+][C@H](CN1CCC(OCC)CC1)C1CC1 ZINC000069074008 520083466 /nfs/dbraw/zinc/08/34/66/520083466.db2.gz XUPIDDQCTXOIFW-OAHLLOKOSA-N 1 0 254.418 2.266 10 0 CEAERO CCN[C@@H](CC[N@H+](C)[C@@H](C)C(C)(C)C)C(=O)OCC ZINC000062456509 520084322 /nfs/dbraw/zinc/08/43/22/520084322.db2.gz VYKFSEXVXXZCIV-STQMWFEESA-N 1 0 272.433 2.284 10 0 CEAERO CCC[NH2+][C@H](CS(C)(=O)=O)c1cc(C)ccc1OC ZINC000054930593 520084687 /nfs/dbraw/zinc/08/46/87/520084687.db2.gz UBCVZLONEUVKHA-CYBMUJFWSA-N 1 0 285.409 2.089 10 0 CEAERO CC[NH2+][C@@H](CCSc1ccc(C)cc1C)C(N)=O ZINC000062598801 520094086 /nfs/dbraw/zinc/09/40/86/520094086.db2.gz ZYYINJRIQLGMOJ-LBPRGKRZSA-N 1 0 266.410 2.249 10 0 CEAERO CCC[NH2+][C@H]1CCc2c1cccc2OC[C@@H]1CNC(=O)O1 ZINC000062799893 520097919 /nfs/dbraw/zinc/09/79/19/520097919.db2.gz UVAYHJWBMVHSCW-FZMZJTMJSA-N 1 0 290.363 2.161 10 0 CEAERO CCC[NH2+][C@H]1COc2cc(O[C@H](C)C(=O)OCC)ccc21 ZINC000062805036 520098545 /nfs/dbraw/zinc/09/85/45/520098545.db2.gz QAOMEGRHACXXFD-RISCZKNCSA-N 1 0 293.363 2.450 10 0 CEAERO CC[NH2+][C@@H](Cc1ccc(OC)c(OC)c1)c1cncnc1 ZINC000052887253 520104461 /nfs/dbraw/zinc/10/44/61/520104461.db2.gz YAADJKHBOGHVEU-AWEZNQCLSA-N 1 0 287.363 2.387 10 0 CEAERO CCCN[C@](C)(C[C@@H](C)[N@H+](CCC)CC1CC1)C(N)=O ZINC000068632039 520112906 /nfs/dbraw/zinc/11/29/06/520112906.db2.gz MCDVQEYQKPSSLU-CZUORRHYSA-N 1 0 283.460 2.131 10 0 CEAERO CCCCCC[C@@H](C)OC[C@@]([NH2+]C)(C(N)=O)C1CC1 ZINC000069195534 520120396 /nfs/dbraw/zinc/12/03/96/520120396.db2.gz AIONKDQKYUOXMB-DOMZBBRYSA-N 1 0 270.417 2.215 10 0 CEAERO CCN[C@@](C)(CCC[NH+]1Cc2ccccc2C1)C(=O)OC ZINC000050912269 520132572 /nfs/dbraw/zinc/13/25/72/520132572.db2.gz JTGBWSQBPVAMBT-KRWDZBQOSA-N 1 0 290.407 2.324 10 0 CEAERO CCCNc1cc(C[N@H+](CC)CCOC)ccn1 ZINC000052728401 520135347 /nfs/dbraw/zinc/13/53/47/520135347.db2.gz NNDTZJNREMMRJO-UHFFFAOYSA-N 1 0 251.374 2.372 10 0 CEAERO CCN[C@@](C)(C[C@@H](C)[N@H+](C)C1CCC(C)CC1)C(N)=O ZINC000068637472 520137504 /nfs/dbraw/zinc/13/75/04/520137504.db2.gz WHLXKHOOGPHOIQ-MFQJDOPTSA-N 1 0 283.460 2.129 10 0 CEAERO CCN[C@@](C[N@H+](C)[C@@H](C)CC)(C(=O)OCC)C1CC1 ZINC000069096740 520149923 /nfs/dbraw/zinc/14/99/23/520149923.db2.gz DTIIAEGEFRZEGZ-SWLSCSKDSA-N 1 0 270.417 2.038 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N[C@H](C)c1cccc(OC)c1 ZINC000061271501 520168340 /nfs/dbraw/zinc/16/83/40/520168340.db2.gz XWVTWWJOHGQWPX-VXGBXAGGSA-N 1 0 264.369 2.261 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1c(C)nn(C(C)C)c1C ZINC000061271670 520168941 /nfs/dbraw/zinc/16/89/41/520168941.db2.gz MFSTYVJTWBERQZ-SNVBAGLBSA-N 1 0 266.389 2.407 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1ccc(F)cc1OC ZINC000061274229 520169642 /nfs/dbraw/zinc/16/96/42/520169642.db2.gz ANFUAQZDTUXLLY-SECBINFHSA-N 1 0 254.305 2.161 10 0 CEAERO CC[NH2+][C@H](C)Cc1nc(-c2ccccc2OC)no1 ZINC000061212989 520174023 /nfs/dbraw/zinc/17/40/23/520174023.db2.gz CAHZOXIVRASBGN-SNVBAGLBSA-N 1 0 261.325 2.286 10 0 CEAERO CC[NH2+][C@H](C)c1cccc(OC[C@H](O)COCC)c1 ZINC000069275361 520179623 /nfs/dbraw/zinc/17/96/23/520179623.db2.gz SQKYKIXMSXWIBK-TZMCWYRMSA-N 1 0 267.369 2.133 10 0 CEAERO CC[NH2+][C@H](C)c1ccccc1NC(=O)c1cc[nH]n1 ZINC000062775445 520179760 /nfs/dbraw/zinc/17/97/60/520179760.db2.gz IECLZZIVAVQIDV-SNVBAGLBSA-N 1 0 258.325 2.333 10 0 CEAERO CC[NH2+][C@H](C)c1cccc(NC(=O)CCOC)c1 ZINC000053731074 520179781 /nfs/dbraw/zinc/17/97/81/520179781.db2.gz HXADMTNYIKFQDJ-LLVKDONJSA-N 1 0 250.342 2.332 10 0 CEAERO CC[NH2+][C@H](Cc1cnn(C)c1)Cc1cc(F)cc(F)c1 ZINC000050543097 520203592 /nfs/dbraw/zinc/20/35/92/520203592.db2.gz QGTVNGIBFNNIMN-HNNXBMFYSA-N 1 0 279.334 2.462 10 0 CEAERO CC[NH2+][C@H](Cn1c2ccccc2nc(C)c1=O)C1CC1 ZINC000069078601 520205949 /nfs/dbraw/zinc/20/59/49/520205949.db2.gz MCRBBCAMRISBHI-CQSZACIVSA-N 1 0 271.364 2.093 10 0 CEAERO CCOCc1ccccc1CNC(=O)C1(C)CC[NH2+]CC1 ZINC000062840404 520209908 /nfs/dbraw/zinc/20/99/08/520209908.db2.gz FBLFUZUFKBZWBH-UHFFFAOYSA-N 1 0 290.407 2.229 10 0 CEAERO CC[NH2+][C@H]1CCOC[C@H]1OCCCc1ccccc1 ZINC000045627425 520217853 /nfs/dbraw/zinc/21/78/53/520217853.db2.gz PUCNPUJWOOKYJL-JKSUJKDBSA-N 1 0 263.381 2.403 10 0 CEAERO CC[NH2+][C@H]1COc2cc(OCc3ncccn3)ccc21 ZINC000062804728 520220858 /nfs/dbraw/zinc/22/08/58/520220858.db2.gz YVFITRIRNSXOKX-ZDUSSCGKSA-N 1 0 271.320 2.099 10 0 CEAERO CC[NH2+][C@](C)(CCSCc1cccc(C)c1)C(N)=O ZINC000054966535 520232205 /nfs/dbraw/zinc/23/22/05/520232205.db2.gz SZEPUFCJPSSWMO-OAHLLOKOSA-N 1 0 280.437 2.472 10 0 CEAERO CC[NH2+][C@](C)(C[C@H](C)n1c(C)nc2ccccc21)C(N)=O ZINC000068648778 520242502 /nfs/dbraw/zinc/24/25/02/520242502.db2.gz NTRIBPMURVQKRN-MEDUHNTESA-N 1 0 288.395 2.149 10 0 CEAERO CCCOCCc1nnc(CCC[NH2+]C(C)(C)C)o1 ZINC000054435964 520256058 /nfs/dbraw/zinc/25/60/58/520256058.db2.gz ACLHMAVTSQNVTI-UHFFFAOYSA-N 1 0 269.389 2.359 10 0 CEAERO CCNc1ccc(C[N@H+](CC)[C@H](C)COC)cn1 ZINC000050814973 520299314 /nfs/dbraw/zinc/29/93/14/520299314.db2.gz NHPOSMHCOGBWDW-GFCCVEGCSA-N 1 0 251.374 2.370 10 0 CEAERO CCNc1ccc(CN2CC[NH+](C(C)C)CC2)cn1 ZINC000050813886 520300950 /nfs/dbraw/zinc/30/09/50/520300950.db2.gz SIVYXFMOEYRIDS-UHFFFAOYSA-N 1 0 262.401 2.039 10 0 CEAERO CCO[C@@H]1CCCN(c2nc(CC)c(C[NH3+])s2)C1 ZINC000055002325 520322935 /nfs/dbraw/zinc/32/29/35/520322935.db2.gz OBVKRIDHHOEEBX-SNVBAGLBSA-N 1 0 269.414 2.170 10 0 CEAERO CCN(CC(F)(F)F)C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000055137038 520416623 /nfs/dbraw/zinc/41/66/23/520416623.db2.gz YHGAXYSEOIEWBN-ZJUUUORDSA-N 1 0 266.307 2.305 10 0 CEAERO CCCOc1cccc(C(=O)N[C@H](CC)CC[NH3+])c1 ZINC000061667259 520446257 /nfs/dbraw/zinc/44/62/57/520446257.db2.gz RXQUAYMREYZVLS-CYBMUJFWSA-N 1 0 264.369 2.333 10 0 CEAERO CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@H](C)C2CCCC2)C1(C)C ZINC000157482740 520451699 /nfs/dbraw/zinc/45/16/99/520451699.db2.gz LHLLRKHGPSPVAB-KFNAQCHYSA-N 1 0 282.428 2.214 10 0 CEAERO CCCOc1ccccc1NC(=O)CC[NH2+]CC ZINC000061290887 520476040 /nfs/dbraw/zinc/47/60/40/520476040.db2.gz JANKFQZLHHBNPW-UHFFFAOYSA-N 1 0 250.342 2.414 10 0 CEAERO CCN(CC)C(=O)COc1cc(F)ccc1[C@@H](C)[NH3+] ZINC000062745854 520490648 /nfs/dbraw/zinc/49/06/48/520490648.db2.gz SENUFDUQBZZBPC-SNVBAGLBSA-N 1 0 268.332 2.093 10 0 CEAERO CCO[C@H](C[NH3+])CN(Cc1ccsc1)C1CC1 ZINC000062739693 520517849 /nfs/dbraw/zinc/51/78/49/520517849.db2.gz FCXAWBYMTGDCNP-CYBMUJFWSA-N 1 0 254.399 2.076 10 0 CEAERO CCO[C@H](C[NH3+])COc1ccccc1C(F)(F)F ZINC000062740181 520519672 /nfs/dbraw/zinc/51/96/72/520519672.db2.gz HAJCXQNFEWKOOG-SECBINFHSA-N 1 0 263.259 2.448 10 0 CEAERO CCCC[N@H+](C[C@@](NCC)(C(N)=O)C1CC1)[C@@H](C)CC ZINC000069191601 520541585 /nfs/dbraw/zinc/54/15/85/520541585.db2.gz VIUQMTTXGIFHQF-BBRMVZONSA-N 1 0 283.460 2.131 10 0 CEAERO CC1(C)Cc2c(N3CC[NH2+]CC3)n[nH]c2-c2ccccc21 ZINC000062670012 520575551 /nfs/dbraw/zinc/57/55/51/520575551.db2.gz VVHMITUNVKNIJU-UHFFFAOYSA-N 1 0 282.391 2.320 10 0 CEAERO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(NN)cc1 ZINC000051092247 520635480 /nfs/dbraw/zinc/63/54/80/520635480.db2.gz UQJBZGCPSDHQKI-ZDUSSCGKSA-N 1 0 292.427 2.213 10 0 CEAERO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccccc1NN ZINC000051092250 520635748 /nfs/dbraw/zinc/63/57/48/520635748.db2.gz XTRWOAJJJWZNIR-ZDUSSCGKSA-N 1 0 292.427 2.213 10 0 CEAERO CCC[C@@H](C)NC(=O)[C@H](C)[NH2+]C[C@@H](C)CSC ZINC000069447864 520661372 /nfs/dbraw/zinc/66/13/72/520661372.db2.gz OUGNBEUKSLUJPZ-UTUOFQBUSA-N 1 0 260.447 2.268 10 0 CEAERO CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1[NH2+]Cc1cnn(CCO)c1 ZINC000068692143 520683629 /nfs/dbraw/zinc/68/36/29/520683629.db2.gz KUUIBOQXJJMYFP-SQWLQELKSA-N 1 0 277.412 2.180 10 0 CEAERO CCN(CC)CC[NH2+]CCn1c(C)nc2ccccc21 ZINC000053524234 520687341 /nfs/dbraw/zinc/68/73/41/520687341.db2.gz HNIUJWSUAOWPIZ-UHFFFAOYSA-N 1 0 274.412 2.276 10 0 CEAERO CCCCOCCNC(=O)C1(CCC)CC[NH2+]CC1 ZINC000062849626 520764175 /nfs/dbraw/zinc/76/41/75/520764175.db2.gz CJTNDQAVUIDXMK-UHFFFAOYSA-N 1 0 270.417 2.089 10 0 CEAERO CCCCOCCOC[C@H]1CC[C@@H](C[NH2+]CCC)O1 ZINC000052629033 520791246 /nfs/dbraw/zinc/79/12/46/520791246.db2.gz QOZOJMHAYQBAMN-LSDHHAIUSA-N 1 0 273.417 2.367 10 0 CEAERO CCCCOCCOc1cccc(F)c1C(N)=[NH2+] ZINC000049262464 520794965 /nfs/dbraw/zinc/79/49/65/520794965.db2.gz WNIVSPMMVZFREK-UHFFFAOYSA-N 1 0 254.305 2.305 10 0 CEAERO CCOC(=O)C[C@@H](C)C[C@H]([NH3+])c1ccc2c(c1)OCCO2 ZINC000061829663 520823067 /nfs/dbraw/zinc/82/30/67/520823067.db2.gz BRKUOYSVEBAMRK-AAEUAGOBSA-N 1 0 293.363 2.437 10 0 CEAERO CCOc1ccc(-c2nnc(CC[NH2+]C)o2)cc1OCC ZINC000050619471 520823391 /nfs/dbraw/zinc/82/33/91/520823391.db2.gz POJOUQIMKHDITG-UHFFFAOYSA-N 1 0 291.351 2.296 10 0 CEAERO CCC[C@@H]1CN(CCOCCOC)C2(CCCCC2)C[NH2+]1 ZINC000068702402 520837497 /nfs/dbraw/zinc/83/74/97/520837497.db2.gz PIQJXYZOGZAIHU-MRXNPFEDSA-N 1 0 298.471 2.426 10 0 CEAERO CCC[C@@H]1C[N@H+](CCCn2ccnc2)[C@H](C2CC2)CN1 ZINC000068700982 520838691 /nfs/dbraw/zinc/83/86/91/520838691.db2.gz GNEJADMXFLWTPC-CVEARBPZSA-N 1 0 276.428 2.126 10 0 CEAERO CCC[C@@H]1CN(Cc2cnn(C)c2)[C@H]([C@@H](C)CC)C[NH2+]1 ZINC000068700949 520840776 /nfs/dbraw/zinc/84/07/76/520840776.db2.gz NPITWGGODUWFEK-IMJJTQAJSA-N 1 0 278.444 2.409 10 0 CEAERO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CC[C@H](C)O1)c1ccco1 ZINC000150980264 520866081 /nfs/dbraw/zinc/86/60/81/520866081.db2.gz PUOTVOSICKBEGZ-GZBFAFLISA-N 1 0 294.395 2.346 10 0 CEAERO CCOC(=O)C[C@H](C)C[C@H]([NH3+])c1ccc2[nH]c(=O)oc2c1 ZINC000061830264 520867417 /nfs/dbraw/zinc/86/74/17/520867417.db2.gz UYLPENAMEQNHHD-KOLCDFICSA-N 1 0 292.335 2.100 10 0 CEAERO CC1CCC(N(C)C(=O)CN2[C@H](C)CCC[C@@H]2C[NH3+])CC1 ZINC000070154944 520931551 /nfs/dbraw/zinc/93/15/51/520931551.db2.gz RVGMASXFTZGPLB-GYTBAZASSA-N 1 0 295.471 2.225 10 0 CEAERO CCC[C@@]1(C(=O)N(C)CCc2ccncc2)CCC[NH2+]C1 ZINC000062856051 520940912 /nfs/dbraw/zinc/94/09/12/520940912.db2.gz JYFFRGISTWFEAO-QGZVFWFLSA-N 1 0 289.423 2.252 10 0 CEAERO CCC[C@@]1(C(=O)N(CC)C[C@H]2CCCO2)CCC[NH2+]C1 ZINC000062859799 520941371 /nfs/dbraw/zinc/94/13/71/520941371.db2.gz JTNZMCQHZQRWBV-GDBMZVCRSA-N 1 0 282.428 2.184 10 0 CEAERO CCC[C@@]1(C(=O)N[C@@H](C)c2cnn(C)c2C)CCC[NH2+]C1 ZINC000062854567 520942210 /nfs/dbraw/zinc/94/22/10/520942210.db2.gz WQLLPXQUIYWKQH-BLLLJJGKSA-N 1 0 292.427 2.076 10 0 CEAERO CCCC[C@@H](C)[NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182350215 521010988 /nfs/dbraw/zinc/01/09/88/521010988.db2.gz GSYSYAJKUMYNSL-TZMCWYRMSA-N 1 0 292.427 2.392 10 0 CEAERO CCOC(=O)[C@@H](C)NC1[C@@H]2CCC[C@H]1C[N@H+](C(C)C)C2 ZINC000049370653 521021610 /nfs/dbraw/zinc/02/16/10/521021610.db2.gz OCYZLUYYISNYNA-JKXDFHQYSA-N 1 0 282.428 2.037 10 0 CEAERO CCOC(=O)[C@@H](CC[N@H+](CC)C1CCCC1)NC1CC1 ZINC000062448455 521058360 /nfs/dbraw/zinc/05/83/60/521058360.db2.gz UHNQVEFJHWJKGT-OAHLLOKOSA-N 1 0 282.428 2.325 10 0 CEAERO CCN(CC[NH2+][C@@H](C)COC)c1ccc(C)cc1 ZINC000053429594 521077630 /nfs/dbraw/zinc/07/76/30/521077630.db2.gz QRGIDRFHBYXIEV-AWEZNQCLSA-N 1 0 250.386 2.446 10 0 CEAERO CCCC[C@@](CC)(CCS(C)(=O)=O)C[NH2+]CCOC ZINC000054658300 521120103 /nfs/dbraw/zinc/12/01/03/521120103.db2.gz XXPSUTQDXAMXHM-AWEZNQCLSA-N 1 0 293.473 2.244 10 0 CEAERO CCOc1ccc(NCC[NH2+]C[C@@H]2CCCO2)cc1 ZINC000066183379 521125302 /nfs/dbraw/zinc/12/53/02/521125302.db2.gz VLSGHDNLPVBNKW-HNNXBMFYSA-N 1 0 264.369 2.266 10 0 CEAERO CC[N@H+](CC[C@H](NC1CC1)C(=O)OC)C1CCCCC1 ZINC000062439167 521161230 /nfs/dbraw/zinc/16/12/30/521161230.db2.gz OXWMHVOTEVZBTJ-HNNXBMFYSA-N 1 0 282.428 2.325 10 0 CEAERO CCCC[C@H](CC)COCCC[C@@](C)([NH2+]C)C(N)=O ZINC000045474642 521180270 /nfs/dbraw/zinc/18/02/70/521180270.db2.gz ASBXFBOXDVZWSK-DZGCQCFKSA-N 1 0 272.433 2.463 10 0 CEAERO CCN(C[C@@H](C)C(N)=[NH2+])c1cnc2ccccc2n1 ZINC000052017477 521189325 /nfs/dbraw/zinc/18/93/25/521189325.db2.gz QOQVCCGNQARHFB-SNVBAGLBSA-N 1 0 257.341 2.028 10 0 CEAERO CC[N@H+](C[C@H](N)c1ccc(OC)cc1OC)CC1CC1 ZINC000069238032 521259257 /nfs/dbraw/zinc/25/92/57/521259257.db2.gz UNZPMGVHZHCALN-HNNXBMFYSA-N 1 0 278.396 2.436 10 0 CEAERO CCC[C@]1(C(=O)N(C)c2cccnc2)CCC[NH2+]C1 ZINC000070231055 521297791 /nfs/dbraw/zinc/29/77/91/521297791.db2.gz KKYYXJZBOVUVMT-HNNXBMFYSA-N 1 0 261.369 2.214 10 0 CEAERO CCC(C)(C)N(C)c1nc2c(cc1C(N)=[NH2+])CCC2 ZINC000069435048 521311121 /nfs/dbraw/zinc/31/11/21/521311121.db2.gz NYNRLILPJKDJOV-UHFFFAOYSA-N 1 0 260.385 2.479 10 0 CEAERO CCC(C)(C)N(C)c1c(C[C@H](C)[NH3+])c(C)nn1C ZINC000069444079 521311212 /nfs/dbraw/zinc/31/12/12/521311212.db2.gz BXAOOVAPSGDJIJ-JTQLQIEISA-N 1 0 252.406 2.243 10 0 CEAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)CN1CCCCC1 ZINC000049501638 521332132 /nfs/dbraw/zinc/33/21/32/521332132.db2.gz WVQBQSWOPWYSNU-UONOGXRCSA-N 1 0 283.460 2.144 10 0 CEAERO CCOC(=O)[C@](C[N@H+](CC)C1CC1)(NC(C)C)C1CC1 ZINC000069097993 521339929 /nfs/dbraw/zinc/33/99/29/521339929.db2.gz YPVBJHXKQMPYHW-MRXNPFEDSA-N 1 0 282.428 2.181 10 0 CEAERO CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@H](C)[NH2+]C ZINC000052395751 521391477 /nfs/dbraw/zinc/39/14/77/521391477.db2.gz KCKPFXLGOQOCKO-QMMMGPOBSA-N 1 0 284.381 2.088 10 0 CEAERO CCOc1cccc(OCC[C@H](C[NH3+])OCC)c1 ZINC000062741848 521403058 /nfs/dbraw/zinc/40/30/58/521403058.db2.gz SSMLGYRXBQRICK-CQSZACIVSA-N 1 0 253.342 2.218 10 0 CEAERO CCCc1ccc(OC[C@]([NH2+]CC)(C(N)=O)C2CC2)cc1 ZINC000069198555 521405099 /nfs/dbraw/zinc/40/50/99/521405099.db2.gz MBRCJNFZWNLGBU-QGZVFWFLSA-N 1 0 290.407 2.262 10 0 CEAERO CCN(c1c(C[NH2+]CC(C)C)c(C)nn1C)[C@@H](C)COC ZINC000062737882 521477676 /nfs/dbraw/zinc/47/76/76/521477676.db2.gz WZBSHJZQDMPCJW-ZDUSSCGKSA-N 1 0 296.459 2.335 10 0 CEAERO CCOC(=O)c1ccc(N(C)CC[C@H]([NH3+])C(C)C)nc1 ZINC000156792649 521479871 /nfs/dbraw/zinc/47/98/71/521479871.db2.gz YIAFUVIZIOMXLR-ZDUSSCGKSA-N 1 0 279.384 2.068 10 0 CEAERO CCN(c1ccc(F)cc1)[C@H](C[NH3+])c1ccncn1 ZINC000070096686 521488515 /nfs/dbraw/zinc/48/85/15/521488515.db2.gz RXEFQSNWVGZQJQ-CQSZACIVSA-N 1 0 260.316 2.142 10 0 CEAERO CCOC(=O)c1ccc(N[C@H](C)[C@H]2CCC[NH2+]C2)nc1 ZINC000050163952 521521459 /nfs/dbraw/zinc/52/14/59/521521459.db2.gz VTQXZLCANWLPHK-NEPJUHHUSA-N 1 0 277.368 2.058 10 0 CEAERO CCCc1nc(N2CCOCC2(C)C)sc1C[NH3+] ZINC000055001872 521532219 /nfs/dbraw/zinc/53/22/19/521532219.db2.gz XDNYOBBBTCPTGI-UHFFFAOYSA-N 1 0 269.414 2.170 10 0 CEAERO CCC(CC)[N@H+](CCO)CCc1ccccc1N ZINC000052918603 521553843 /nfs/dbraw/zinc/55/38/43/521553843.db2.gz ZEGAPHVSZKOOAT-UHFFFAOYSA-N 1 0 250.386 2.294 10 0 CEAERO CCOC(=O)c1cccnc1N1CCCC[C@@H]1CC[NH2+]C ZINC000070194061 521556603 /nfs/dbraw/zinc/55/66/03/521556603.db2.gz DCYFUGNINWINRT-CYBMUJFWSA-N 1 0 291.395 2.227 10 0 CEAERO CCC(CC)N(CCOC)C(=O)[C@H]1CC[C@H]([NH3+])C[C@@H]1C ZINC000055133785 521557009 /nfs/dbraw/zinc/55/70/09/521557009.db2.gz RIXVXOWPFAZMKR-YDHLFZDLSA-N 1 0 284.444 2.414 10 0 CEAERO CCC(CC)[N@H+](CCOC)[C@@]1(CN)CCCSC1 ZINC000061590244 521562537 /nfs/dbraw/zinc/56/25/37/521562537.db2.gz KXYFXKNSLASOCE-CQSZACIVSA-N 1 0 274.474 2.348 10 0 CEAERO CCCN(CC(F)(F)F)C(=O)[C@@H](C)C[NH2+]CC ZINC000061236567 521583535 /nfs/dbraw/zinc/58/35/35/521583535.db2.gz WOWZMZWIJRRTLL-VIFPVBQESA-N 1 0 254.296 2.033 10 0 CEAERO CCC[N@H+](CC)C[C@](NC1CC1)(C(=O)OCC)C1CC1 ZINC000069098052 521613728 /nfs/dbraw/zinc/61/37/28/521613728.db2.gz AWXHEHVEUYEBHI-MRXNPFEDSA-N 1 0 282.428 2.182 10 0 CEAERO CCCn1c2ccc([C@H]([NH3+])[C@H]3CCOC3)cc2oc1=O ZINC000051364004 521637490 /nfs/dbraw/zinc/63/74/90/521637490.db2.gz JSVPICUKARKMRC-FZMZJTMJSA-N 1 0 276.336 2.041 10 0 CEAERO CCS(=O)(=O)CC[C@@H](C[NH2+]C1CC1)Cc1ccccc1 ZINC000052953182 521644924 /nfs/dbraw/zinc/64/49/24/521644924.db2.gz PBUBAEWXGNUJRT-OAHLLOKOSA-N 1 0 295.448 2.422 10 0 CEAERO CC[N@@H+]1CCC[C@H](Nc2cc(Cl)nc(C)n2)C1 ZINC000052836721 521649599 /nfs/dbraw/zinc/64/95/99/521649599.db2.gz QGBHESGORVHEAS-JTQLQIEISA-N 1 0 254.765 2.335 10 0 CEAERO CCCn1cc(N)cc1C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000049550985 521653594 /nfs/dbraw/zinc/65/35/94/521653594.db2.gz PGLXSZDFNDKNOQ-CQSZACIVSA-N 1 0 294.443 2.186 10 0 CEAERO CCC1(C(=O)N2CCC(C)(C)CC2)CC[NH2+]CC1 ZINC000062850447 521660055 /nfs/dbraw/zinc/66/00/55/521660055.db2.gz UZZYPCIREPLNQW-UHFFFAOYSA-N 1 0 252.402 2.415 10 0 CEAERO CCC1(C(=O)Nc2ccc(N(C)C)cc2)CC[NH2+]CC1 ZINC000062848393 521672609 /nfs/dbraw/zinc/67/26/09/521672609.db2.gz HCSYNHKFCYEDPK-UHFFFAOYSA-N 1 0 275.396 2.471 10 0 CEAERO CCC[N@H+](C[C@@](NC1CC1)(C(=O)OCC)C1CC1)C1CC1 ZINC000069098223 521676196 /nfs/dbraw/zinc/67/61/96/521676196.db2.gz AXFZRIBHHWMWMW-KRWDZBQOSA-N 1 0 294.439 2.325 10 0 CEAERO CCC1(CC)CC(=O)N(Cc2ccc(CC[NH3+])cc2)C1=O ZINC000052899523 521683177 /nfs/dbraw/zinc/68/31/77/521683177.db2.gz OMUHHZMENJDZTN-UHFFFAOYSA-N 1 0 288.391 2.253 10 0 CEAERO CCCN1C(=O)C[C@H]([NH2+][C@H](C)CCCC(C)C)C1=O ZINC000049128617 521700491 /nfs/dbraw/zinc/70/04/91/521700491.db2.gz CASPHEPUETZHER-OLZOCXBDSA-N 1 0 268.401 2.328 10 0 CEAERO CCN1CCN(c2nc(C)c(C[NH2+]C(C)C)s2)CC1 ZINC000054994819 521701115 /nfs/dbraw/zinc/70/11/15/521701115.db2.gz QQTWXMRAWYGOBT-UHFFFAOYSA-N 1 0 282.457 2.091 10 0 CEAERO CCN1CCN(c2nc3c(s2)[C@H]([NH3+])CC(C)(C)C3)CC1 ZINC000054863979 521701159 /nfs/dbraw/zinc/70/11/59/521701159.db2.gz WZDMLSKHNYLEIE-LLVKDONJSA-N 1 0 294.468 2.257 10 0 CEAERO CCNC(=O)CCOc1ccc2ccccc2c1CC[NH3+] ZINC000051761827 521735991 /nfs/dbraw/zinc/73/59/91/521735991.db2.gz PUYZWJAEUIVNIW-UHFFFAOYSA-N 1 0 286.375 2.246 10 0 CEAERO CCNC(=O)[C@H](C)Oc1cc(F)ccc1[C@H](C)[NH2+]C ZINC000062746501 521745742 /nfs/dbraw/zinc/74/57/42/521745742.db2.gz LNDARSYSDOQGKP-UWVGGRQHSA-N 1 0 268.332 2.010 10 0 CEAERO CN(C)C[C@@H]1CCC[N@@H+]1CCC(=O)c1ccccc1 ZINC000061653382 521837811 /nfs/dbraw/zinc/83/78/11/521837811.db2.gz YUNRECZUXMWSNL-HNNXBMFYSA-N 1 0 260.381 2.285 10 0 CEAERO CN(C)C[C@@H]1CCC[N@@H+]1[C@H]1CNc2ccccc2C1 ZINC000061644752 521844066 /nfs/dbraw/zinc/84/40/66/521844066.db2.gz SWRYUVXEWGYDPC-LSDHHAIUSA-N 1 0 259.397 2.049 10 0 CEAERO C[NH2+]C(C)(C)C(=O)NCc1ccccc1C(F)(F)F ZINC000061626851 521937220 /nfs/dbraw/zinc/93/72/20/521937220.db2.gz IGOXUHVXOPDNFG-UHFFFAOYSA-N 1 0 274.286 2.320 10 0 CEAERO COCC[C@H]([NH3+])c1nc2cc(Br)ccc2n1C ZINC000052785248 521950557 /nfs/dbraw/zinc/95/05/57/521950557.db2.gz DYTNSOHWQJRQTK-VIFPVBQESA-N 1 0 298.184 2.372 10 0 CEAERO CC[C@@H](C)C[NH2+]CC(=O)Nc1ccccc1OC ZINC000054472268 521996291 /nfs/dbraw/zinc/99/62/91/521996291.db2.gz MTRPYFNGJPKHJF-LLVKDONJSA-N 1 0 250.342 2.269 10 0 CEAERO C[NH2+]CCNC(=O)c1cc2cccc(Br)c2o1 ZINC000054244089 522008819 /nfs/dbraw/zinc/00/88/19/522008819.db2.gz NCIZBHGOKKKPJJ-UHFFFAOYSA-N 1 0 297.152 2.145 10 0 CEAERO CC[C@@H](C)C[C@@H](CC)[NH2+]C[C@@H]1CN(C)CCN1C ZINC000068802804 522021122 /nfs/dbraw/zinc/02/11/22/522021122.db2.gz PGYASLLMAPYXOZ-RBSFLKMASA-N 1 0 255.450 2.037 10 0 CEAERO C[NH2+]C[C@@H]1CC[C@@H](COCCc2cccs2)O1 ZINC000052707519 522059028 /nfs/dbraw/zinc/05/90/28/522059028.db2.gz NQPRTRCKZRXMCZ-RYUDHWBXSA-N 1 0 255.383 2.074 10 0 CEAERO C[NH2+]C[C@@H]1CC[C@@H](CN(C)c2ccccc2F)O1 ZINC000052543118 522059733 /nfs/dbraw/zinc/05/97/33/522059733.db2.gz ABBNELCCPWQEGP-RYUDHWBXSA-N 1 0 252.333 2.029 10 0 CEAERO C[NH2+]C[C@H](OC[C@@H]1CCOC1)c1ccccc1F ZINC000050501760 522076137 /nfs/dbraw/zinc/07/61/37/522076137.db2.gz GMWSQWDBBOUEHM-RISCZKNCSA-N 1 0 253.317 2.139 10 0 CEAERO C[NH2+]C[C@H]1CC[C@@H](COc2ccccc2Cl)O1 ZINC000052664748 522095732 /nfs/dbraw/zinc/09/57/32/522095732.db2.gz HTRWXFGWWNJRJX-MNOVXSKESA-N 1 0 255.745 2.486 10 0 CEAERO C[NH2+]Cc1c(C)nn(C)c1N1CC[C@@H](c2ccccc2)C1 ZINC000050600354 522100342 /nfs/dbraw/zinc/10/03/42/522100342.db2.gz SMXQAOCBLXGEEH-OAHLLOKOSA-N 1 0 284.407 2.442 10 0 CEAERO C[NH2+]Cc1cc(C)ccc1OC[C@H](O)C(F)(F)F ZINC000068878176 522103112 /nfs/dbraw/zinc/10/31/12/522103112.db2.gz MDWPXPYFRMINMB-NSHDSACASA-N 1 0 263.259 2.016 10 0 CEAERO C[NH2+]Cc1cc(Cl)c(OCc2ncccn2)c(OC)c1 ZINC000054458288 522111863 /nfs/dbraw/zinc/11/18/63/522111863.db2.gz VXOKEOQPKNOKSF-UHFFFAOYSA-N 1 0 293.754 2.437 10 0 CEAERO C[NH2+]Cc1ccc(CN(C)Cc2cscn2)cc1 ZINC000052503859 522116454 /nfs/dbraw/zinc/11/64/54/522116454.db2.gz VDPMPWSZRUSASC-UHFFFAOYSA-N 1 0 261.394 2.495 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(C[C@H]2CNc3ccccc3O2)CC1 ZINC000055083409 522124185 /nfs/dbraw/zinc/12/41/85/522124185.db2.gz IMXMKEHIHYVFGB-HUUCEWRRSA-N 1 0 289.423 2.276 10 0 CEAERO CC[C@@H](C)[NH+]1CCN([C@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000055069714 522130735 /nfs/dbraw/zinc/13/07/35/522130735.db2.gz FSVWVSMMRVNHCB-COXVUDFISA-N 1 0 274.408 2.061 10 0 CEAERO C[NH2+]Cc1nccn1Cc1csc(C(C)C)n1 ZINC000051004484 522155041 /nfs/dbraw/zinc/15/50/41/522155041.db2.gz LYSGVODUAAAEFK-UHFFFAOYSA-N 1 0 250.371 2.231 10 0 CEAERO C[NH2+]Cc1occc1Cn1cc(Br)cn1 ZINC000052577460 522165652 /nfs/dbraw/zinc/16/56/52/522165652.db2.gz RVODLOLHJKWKCL-UHFFFAOYSA-N 1 0 270.130 2.006 10 0 CEAERO CCc1nc(C(C)C)cc(N2CCC(C[NH3+])CC2)n1 ZINC000045954894 522177933 /nfs/dbraw/zinc/17/79/33/522177933.db2.gz WEFYGFRARWKXRW-UHFFFAOYSA-N 1 0 262.401 2.338 10 0 CEAERO COC[C@@H](C)N(C)C(=O)Nc1cccc([C@H](C)[NH3+])c1 ZINC000049041008 522213443 /nfs/dbraw/zinc/21/34/43/522213443.db2.gz PIFRULYOTUWUSO-MNOVXSKESA-N 1 0 265.357 2.205 10 0 CEAERO COc1cc(C)c([C@H]([NH3+])C2CCOCC2)cc1OC ZINC000061672140 522231612 /nfs/dbraw/zinc/23/16/12/522231612.db2.gz ZJKKQZUXHZNXKX-OAHLLOKOSA-N 1 0 265.353 2.439 10 0 CEAERO COc1cc(C)c([C@H]([NH3+])CC(C)(C)CC(N)=O)cc1OC ZINC000061825534 522231625 /nfs/dbraw/zinc/23/16/25/522231625.db2.gz OFQHPVPOVKOFQS-GFCCVEGCSA-N 1 0 294.395 2.304 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(F)cc1O[C@@H](C)C(=O)OC ZINC000062746142 522332949 /nfs/dbraw/zinc/33/29/49/522332949.db2.gz AWEPHKQBYOKRNA-IUCAKERBSA-N 1 0 255.289 2.046 10 0 CEAERO C[NH2+][C@@H](C)c1cccc(OC[C@H](O)C(F)(F)F)c1 ZINC000068876494 522337957 /nfs/dbraw/zinc/33/79/57/522337957.db2.gz ISAADWVPWWATCY-KWQFWETISA-N 1 0 263.259 2.269 10 0 CEAERO COC[C@@H](NC(=O)c1ccc(C[NH3+])cc1)c1ccc(C)o1 ZINC000186462141 522341658 /nfs/dbraw/zinc/34/16/58/522341658.db2.gz DQFDNZDQJCZIIV-CQSZACIVSA-N 1 0 288.347 2.164 10 0 CEAERO C[NH2+][C@@H](CSC)c1ccc2c(c1)OCCCO2 ZINC000055229733 522356064 /nfs/dbraw/zinc/35/60/64/522356064.db2.gz LCTCHYOIENUODP-NSHDSACASA-N 1 0 253.367 2.471 10 0 CEAERO C[NH2+][C@@H](Cc1cnn(C)c1)c1ccc(F)c(F)c1 ZINC000050542653 522361543 /nfs/dbraw/zinc/36/15/43/522361543.db2.gz NASSRVZKICTLKT-ZDUSSCGKSA-N 1 0 251.280 2.202 10 0 CEAERO C[NH2+][C@@H](Cc1cnn(C)c1)Cc1ccccc1Cl ZINC000050543250 522361867 /nfs/dbraw/zinc/36/18/67/522361867.db2.gz HELRDVLDHSKYJC-ZDUSSCGKSA-N 1 0 263.772 2.447 10 0 CEAERO C[NH2+][C@@H](Cn1ncccc1=O)c1c(C)cc(C)cc1C ZINC000061402264 522364210 /nfs/dbraw/zinc/36/42/10/522364210.db2.gz JLPBXYQFVAOTSX-AWEZNQCLSA-N 1 0 271.364 2.129 10 0 CEAERO C[NH2+][C@@H](c1ccc(OC)cc1)[C@@H](C)N(C)CCCOC ZINC000062031033 522370563 /nfs/dbraw/zinc/37/05/63/522370563.db2.gz JSGDFLWNVUNWKL-CZUORRHYSA-N 1 0 280.412 2.313 10 0 CEAERO C[NH2+][C@@H](c1ccnn1C)c1cc(F)c(F)c(F)c1 ZINC000069467654 522371630 /nfs/dbraw/zinc/37/16/30/522371630.db2.gz IWYRVVXUKINPCF-GFCCVEGCSA-N 1 0 255.243 2.146 10 0 CEAERO CCc1nc(N2CCO[C@@H](CC)C2)sc1C[NH2+]C ZINC000054997405 522387389 /nfs/dbraw/zinc/38/73/89/522387389.db2.gz REQVDCNTZDJPAR-JTQLQIEISA-N 1 0 269.414 2.040 10 0 CEAERO CCc1nc(N2C[C@@H](C)O[C@@H](C)C2)sc1C[NH2+]C ZINC000054995481 522389641 /nfs/dbraw/zinc/38/96/41/522389641.db2.gz DOCNHNVDADNHMV-AOOOYVTPSA-N 1 0 269.414 2.039 10 0 CEAERO C[NH2+][C@@H]1CCCc2nc(N(CCOC)C3CC3)sc21 ZINC000054907907 522390040 /nfs/dbraw/zinc/39/00/40/522390040.db2.gz GIBTZWINGZFGSI-LLVKDONJSA-N 1 0 281.425 2.355 10 0 CEAERO C[NH2+][C@@](C)(C[C@H](C)[NH+]1CCC2(CCCC2)CC1)C(=O)[O-] ZINC000068645422 522419707 /nfs/dbraw/zinc/41/97/07/522419707.db2.gz FUJLRCUTULAVMV-ZFWWWQNUSA-N 1 0 282.428 2.484 10 0 CEAERO COC[C@@H](O)C[NH2+]CCc1ccc(Cl)cc1Cl ZINC000069054125 522420014 /nfs/dbraw/zinc/42/00/14/522420014.db2.gz LRDQVYSFSAJLJM-NSHDSACASA-N 1 0 278.179 2.133 10 0 CEAERO COC[C@@H](O)COc1c2ccccc2ccc1[C@@H](C)[NH3+] ZINC000069053621 522425483 /nfs/dbraw/zinc/42/54/83/522425483.db2.gz PYNCDDSAGIXMLM-DGCLKSJQSA-N 1 0 275.348 2.246 10 0 CEAERO C[NH2+][C@H](C)C(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000054073324 522437868 /nfs/dbraw/zinc/43/78/68/522437868.db2.gz AKZMVSSPYQOGLL-ZWNOBZJWSA-N 1 0 252.333 2.247 10 0 CEAERO C[NH2+][C@H](C)c1nnc(-c2cncc(Br)c2)o1 ZINC000050618407 522455941 /nfs/dbraw/zinc/45/59/41/522455941.db2.gz YERBLHHYZBZLEE-ZCFIWIBFSA-N 1 0 283.129 2.175 10 0 CEAERO C[NH2+][C@H](Cn1nc(C)ccc1=O)c1ccc(C)c(C)c1 ZINC000061810258 522475652 /nfs/dbraw/zinc/47/56/52/522475652.db2.gz UMICHVKUJVDNBO-OAHLLOKOSA-N 1 0 271.364 2.129 10 0 CEAERO C[NH2+][C@H](c1c(OC)cc(OC)cc1OC)C1CCOCC1 ZINC000061671639 522477768 /nfs/dbraw/zinc/47/77/68/522477768.db2.gz KGSVETCPBFORNI-INIZCTEOSA-N 1 0 295.379 2.400 10 0 CEAERO C[NH2+][C@H](c1ccc(OC)cc1)c1cccnc1OC ZINC000061443555 522480810 /nfs/dbraw/zinc/48/08/10/522480810.db2.gz REPFSZRQPYIVSC-CQSZACIVSA-N 1 0 258.321 2.408 10 0 CEAERO C[NH2+][C@H](c1ccc2c(c1)CCC(=O)N2C)[C@@H]1CCCOC1 ZINC000062806538 522481780 /nfs/dbraw/zinc/48/17/80/522481780.db2.gz JICWTBOXFSGTDD-RHSMWYFYSA-N 1 0 288.391 2.283 10 0 CEAERO C[NH2+][C@H](c1ccnn1C)c1ccc2ccccc2n1 ZINC000069468120 522484456 /nfs/dbraw/zinc/48/44/56/522484456.db2.gz XKQHIYYEQAIZAF-HNNXBMFYSA-N 1 0 252.321 2.277 10 0 CEAERO C[NH2+][C@H](c1cncnc1)C1(c2ccccc2)CCOCC1 ZINC000062783702 522485327 /nfs/dbraw/zinc/48/53/27/522485327.db2.gz PBUUYMWWOAXKEK-MRXNPFEDSA-N 1 0 283.375 2.486 10 0 CEAERO CCc1nc2cc(N)ccc2n1C[C@@H]1CC[N@H+](C)C1 ZINC000052853036 522487921 /nfs/dbraw/zinc/48/79/21/522487921.db2.gz XMDXTKKUIXMOME-LLVKDONJSA-N 1 0 258.369 2.133 10 0 CEAERO C[NH2+][C@H]1CCc2c1cccc2O[C@@H](C)C(=O)N1CCCC1 ZINC000062799268 522505051 /nfs/dbraw/zinc/50/50/51/522505051.db2.gz NLLLDAHSJZOVLO-WFASDCNBSA-N 1 0 288.391 2.283 10 0 CEAERO CCc1nc2ccccc2n1[C@H](C)C[C@@](C)([NH3+])C(=O)OC ZINC000068650189 522506905 /nfs/dbraw/zinc/50/69/05/522506905.db2.gz CZMRLHYUDHQVNW-BDJLRTHQSA-N 1 0 289.379 2.440 10 0 CEAERO C[NH2+][C@](C)(C[C@@H](C)Oc1ccccc1C(C)C)C(N)=O ZINC000068657027 522520697 /nfs/dbraw/zinc/52/06/97/522520697.db2.gz TZQAOGZTKMXDLX-MLGOLLRUSA-N 1 0 278.396 2.431 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000061626547 522527459 /nfs/dbraw/zinc/52/74/59/522527459.db2.gz VESZCIAUXFUOFO-JTQLQIEISA-N 1 0 274.286 2.307 10 0 CEAERO CN(CC(F)(F)F)c1nc(C2CC2)c(C[NH3+])s1 ZINC000069180033 522577732 /nfs/dbraw/zinc/57/77/32/522577732.db2.gz FNFXSLOADRHESZ-UHFFFAOYSA-N 1 0 265.304 2.478 10 0 CEAERO COc1cc(F)ccc1NC(=O)[C@H]1CCC[C@@H](C)[NH2+]1 ZINC000049570465 522610320 /nfs/dbraw/zinc/61/03/20/522610320.db2.gz JDEKTDPQHOJAQP-BXKDBHETSA-N 1 0 266.316 2.303 10 0 CEAERO COC[C@H](C)O[C@@H](c1ccccc1OC)[C@@H](C)[NH3+] ZINC000070204328 522636547 /nfs/dbraw/zinc/63/65/47/522636547.db2.gz UPPUOHCNGPGUFK-MISXGVKJSA-N 1 0 253.342 2.135 10 0 CEAERO CC[C@@H]([NH3+])Cc1c(C)nn(CCOCC(F)(F)F)c1C ZINC000054741274 522641517 /nfs/dbraw/zinc/64/15/17/522641517.db2.gz WJWCAHHIQWEYLY-LLVKDONJSA-N 1 0 293.333 2.359 10 0 CEAERO CC[C@@H]([NH3+])Cc1nccn1CCOCCC(C)C ZINC000062803176 522646618 /nfs/dbraw/zinc/64/66/18/522646618.db2.gz AWHXYJQEGCEROK-CYBMUJFWSA-N 1 0 253.390 2.226 10 0 CEAERO CC[C@@H]([NH3+])[C@](O)(c1cc(OC)ccc1OC)C(F)(F)F ZINC000062784742 522654896 /nfs/dbraw/zinc/65/48/96/522654896.db2.gz IPRBNDSWCBOPEY-VXGBXAGGSA-N 1 0 293.285 2.191 10 0 CEAERO COC1CCN([C@H](C[NH3+])c2cc(C)ccc2C)CC1 ZINC000049670432 522706580 /nfs/dbraw/zinc/70/65/80/522706580.db2.gz IUDDJNLXRWGLAQ-MRXNPFEDSA-N 1 0 262.397 2.414 10 0 CEAERO COc1cc(OC)c(OC)cc1C[NH2+][C@H]1C[C@H]1C ZINC000052269557 522827182 /nfs/dbraw/zinc/82/71/82/522827182.db2.gz UUUOACBRDQFQSP-KOLCDFICSA-N 1 0 251.326 2.210 10 0 CEAERO C[N@H+](CCOCC(F)(F)F)Cc1cccc(N)c1 ZINC000049311271 522886418 /nfs/dbraw/zinc/88/64/18/522886418.db2.gz PJSFBHKXCSVTNN-UHFFFAOYSA-N 1 0 262.275 2.280 10 0 CEAERO COc1cc([C@H](C)[NH3+])ccc1OC[C@@H](O)C(F)(F)F ZINC000068875700 522938982 /nfs/dbraw/zinc/93/89/82/522938982.db2.gz SOLVQMPJZBSRPB-WRWORJQWSA-N 1 0 279.258 2.017 10 0 CEAERO CC[C@@H](Oc1ccc(Cl)cc1[C@H](C)[NH2+]C)C(N)=O ZINC000061676047 523041884 /nfs/dbraw/zinc/04/18/84/523041884.db2.gz KXHVPZJAFKIAMZ-GZMMTYOYSA-N 1 0 270.760 2.263 10 0 CEAERO CN(C[C@@H]1CCCO1)c1ccc(C(N)=[NH2+])cc1Cl ZINC000062794136 523055179 /nfs/dbraw/zinc/05/51/79/523055179.db2.gz YUVXBAWYYRNSJI-JTQLQIEISA-N 1 0 267.760 2.239 10 0 CEAERO CC[C@H]1CCCC[C@H]1NC(=O)C1(C)CC[NH2+]CC1 ZINC000062840173 523057564 /nfs/dbraw/zinc/05/75/64/523057564.db2.gz OKQGJQPYEVXAST-QWHCGFSZSA-N 1 0 252.402 2.461 10 0 CEAERO COC(=O)CC[N@H+](Cc1cccc(N)c1)C(C)C ZINC000069318154 523070052 /nfs/dbraw/zinc/07/00/52/523070052.db2.gz UJLYSTHOTYPCGV-UHFFFAOYSA-N 1 0 250.342 2.042 10 0 CEAERO CN(Cc1ccc(F)cc1)c1ccnc(C(N)=[NH2+])c1 ZINC000061814170 523253788 /nfs/dbraw/zinc/25/37/88/523253788.db2.gz VXQYACJPUZIELW-UHFFFAOYSA-N 1 0 258.300 2.141 10 0 CEAERO COCCCN(CCOC)[C@@H](C[NH2+]C(C)(C)C)C(C)C ZINC000052543175 523257118 /nfs/dbraw/zinc/25/71/18/523257118.db2.gz JXYXOIUNNLAMFA-HNNXBMFYSA-N 1 0 288.476 2.384 10 0 CEAERO CCn1c2cc(F)ccc2nc1[C@@H](C)N1CC[NH2+]CC1 ZINC000052124672 523258103 /nfs/dbraw/zinc/25/81/03/523258103.db2.gz JGAWDDOGUYLICU-LLVKDONJSA-N 1 0 276.359 2.162 10 0 CEAERO CC[C@H]1CN([C@@H](C[NH3+])c2ccc(F)c(C)c2)CCO1 ZINC000050546063 523300829 /nfs/dbraw/zinc/30/08/29/523300829.db2.gz CQNYEZXJMYKSCC-ZFWWWQNUSA-N 1 0 266.360 2.245 10 0 CEAERO CC[C@H]1CO[C@@H](C)CN1Cc1cc(C[NH2+]C)c(C)o1 ZINC000052570904 523343545 /nfs/dbraw/zinc/34/35/45/523343545.db2.gz ABCCAKXZNCJHDW-FZMZJTMJSA-N 1 0 266.385 2.307 10 0 CEAERO C[N@H+](Cc1ccccc1)Cc1ccnc(C(N)=S)c1 ZINC000068751702 523346664 /nfs/dbraw/zinc/34/66/64/523346664.db2.gz XUADJUVJVUIHND-UHFFFAOYSA-N 1 0 271.389 2.348 10 0 CEAERO COc1ccc(/C=C/C(=O)N2C[C@@H](C[NH3+])CC[C@@H]2C)cc1 ZINC000070179965 523389081 /nfs/dbraw/zinc/38/90/81/523389081.db2.gz GJXJITUDPOIHHE-WOPSIANGSA-N 1 0 288.391 2.294 10 0 CEAERO CCn1cc(COc2ccc(C(N)=[NH2+])cc2Cl)cn1 ZINC000050540074 523392714 /nfs/dbraw/zinc/39/27/14/523392714.db2.gz POJXJFBSJNWKOJ-UHFFFAOYSA-N 1 0 278.743 2.419 10 0 CEAERO CCn1cc(C[C@@]2(C[NH2+]C(C)(C)C)CCOC2)cn1 ZINC000054665660 523395501 /nfs/dbraw/zinc/39/55/01/523395501.db2.gz KMPNSZMDEZKUBG-OAHLLOKOSA-N 1 0 265.401 2.240 10 0 CEAERO CCn1cc(C[C@H]([NH3+])Cc2cccc(OC)c2)cn1 ZINC000050543015 523395741 /nfs/dbraw/zinc/39/57/41/523395741.db2.gz LJKZVMRZAYPUMA-CQSZACIVSA-N 1 0 259.353 2.024 10 0 CEAERO COCCCOc1ccc(C[NH2+]CCOC)cc1Cl ZINC000062730453 523414099 /nfs/dbraw/zinc/41/40/99/523414099.db2.gz IBFDICKIKHVTQE-UHFFFAOYSA-N 1 0 287.787 2.491 10 0 CEAERO CN(Cc1ccncc1)[C@@H](C[NH3+])CCc1ccccc1 ZINC000061624648 523463223 /nfs/dbraw/zinc/46/32/23/523463223.db2.gz FODOTEQHJULGCI-QGZVFWFLSA-N 1 0 269.392 2.474 10 0 CEAERO CN(Cc1ccncc1)[C@H](C[NH3+])CCc1ccccc1 ZINC000061624646 523465373 /nfs/dbraw/zinc/46/53/73/523465373.db2.gz FODOTEQHJULGCI-KRWDZBQOSA-N 1 0 269.392 2.474 10 0 CEAERO CCn1cc([C@H](Cc2nc(C)cs2)[NH2+]C)cn1 ZINC000055268336 523480100 /nfs/dbraw/zinc/48/01/00/523480100.db2.gz HWZWZFFCWVISBK-NSHDSACASA-N 1 0 250.371 2.171 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C)CN1Cc1ncc(C)c(OC)c1C ZINC000068697255 523486843 /nfs/dbraw/zinc/48/68/43/523486843.db2.gz QAKNVMWUAGFIHS-GXTWGEPZSA-N 1 0 277.412 2.279 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1Cc1cccc(OC)n1 ZINC000068695203 523486972 /nfs/dbraw/zinc/48/69/72/523486972.db2.gz MOJAQBLIOYZMGB-HUUCEWRRSA-N 1 0 277.412 2.299 10 0 CEAERO CC[C@@H]1COCCN1c1c(C[NH2+]C(C)(C)C)c(C)nn1C ZINC000062736307 523501999 /nfs/dbraw/zinc/50/19/99/523501999.db2.gz ARLLAYOTZGFCAJ-CYBMUJFWSA-N 1 0 294.443 2.232 10 0 CEAERO CC[C@]1(C(=O)N[C@@H](C)Cc2ccccc2)CC[NH2+]C1 ZINC000062910598 523542191 /nfs/dbraw/zinc/54/21/91/523542191.db2.gz XBXPODMPZYROHM-BBRMVZONSA-N 1 0 260.381 2.124 10 0 CEAERO CC[C@]1(C(=O)N[C@@H](C)Cc2c(F)cccc2F)CC[NH2+]C1 ZINC000062894175 523542267 /nfs/dbraw/zinc/54/22/67/523542267.db2.gz BCKFLLYTWGBOSZ-ZBEGNZNMSA-N 1 0 296.361 2.402 10 0 CEAERO CCn1ccnc1N1CCC[C@H](C[NH2+]CC(C)C)C1 ZINC000053703069 523547790 /nfs/dbraw/zinc/54/77/90/523547790.db2.gz SBNNHHBBQFHLET-CQSZACIVSA-N 1 0 264.417 2.365 10 0 CEAERO COC(=O)[C@@H](C[N@@H+]1CCC[C@@H]1C1CCCC1)NC(C)C ZINC000045422314 523578574 /nfs/dbraw/zinc/57/85/74/523578574.db2.gz NPALLUJKBQFFLA-HUUCEWRRSA-N 1 0 282.428 2.181 10 0 CEAERO CN([C@@H](C[NH3+])c1cc(F)c(F)c(F)c1)C1CCOCC1 ZINC000062710103 523622503 /nfs/dbraw/zinc/62/25/03/523622503.db2.gz PAKRJQHDOLRIBY-ZDUSSCGKSA-N 1 0 288.313 2.215 10 0 CEAERO COCCN(CCOC)Cc1cc(C[NH2+]C(C)C)c(C)o1 ZINC000052571394 523720055 /nfs/dbraw/zinc/72/00/55/523720055.db2.gz SQCHDJNAVJKPJK-UHFFFAOYSA-N 1 0 298.427 2.181 10 0 CEAERO CC[C@@]1(c2nc(Cc3ccncc3)no2)CCC[NH2+]C1 ZINC000062872411 523749226 /nfs/dbraw/zinc/74/92/26/523749226.db2.gz UVZDXSNRARCEIM-OAHLLOKOSA-N 1 0 272.352 2.087 10 0 CEAERO COCC[N@H+]([C@@H](C)COC)[C@@]1(CN)C[C@@H](C)CC[C@@H]1C ZINC000068628447 523780006 /nfs/dbraw/zinc/78/00/06/523780006.db2.gz DYWMTXUQAVHHIL-YHUYYLMFSA-N 1 0 286.460 2.123 10 0 CEAERO COC(=O)[C@@](C)([NH3+])CCCn1cc(-c2ccccc2)cn1 ZINC000054961854 523817141 /nfs/dbraw/zinc/81/71/41/523817141.db2.gz FMEBOVJIIVOITM-INIZCTEOSA-N 1 0 287.363 2.221 10 0 CEAERO CO[C@H](C(=O)N(CCC[NH3+])C1CCCC1)c1ccccc1 ZINC000050436868 523819515 /nfs/dbraw/zinc/81/95/15/523819515.db2.gz RAZSRHMJQDYMIB-INIZCTEOSA-N 1 0 290.407 2.494 10 0 CEAERO COC(=O)[C@H](CC[N@H+](C)C1CCCCCC1)NC1CC1 ZINC000062451348 523898762 /nfs/dbraw/zinc/89/87/62/523898762.db2.gz LFIQSRAWMWTXJP-HNNXBMFYSA-N 1 0 282.428 2.325 10 0 CEAERO CC[C@H](C)N(C)c1nc2sccn2c1C[NH2+]CCOC ZINC000062735390 523924716 /nfs/dbraw/zinc/92/47/16/523924716.db2.gz CRMNOXWBYREZGZ-NSHDSACASA-N 1 0 296.440 2.367 10 0 CEAERO COCC[NH2+]CC1(Cc2ccsc2)CCOCC1 ZINC000061674636 523935740 /nfs/dbraw/zinc/93/57/40/523935740.db2.gz FVLQNFFPGDUQQS-UHFFFAOYSA-N 1 0 269.410 2.323 10 0 CEAERO COCC[NH2+]CCCOCc1ccccc1Cl ZINC000053551327 523935908 /nfs/dbraw/zinc/93/59/08/523935908.db2.gz FJUPUKRSVJERPW-UHFFFAOYSA-N 1 0 257.761 2.483 10 0 CEAERO COCC[NH2+]C[C@@H](CCOC)Cc1cccc(C)c1 ZINC000054667003 523939922 /nfs/dbraw/zinc/93/99/22/523939922.db2.gz MUBZNSZQKWEVCS-INIZCTEOSA-N 1 0 265.397 2.426 10 0 CEAERO COc1ccc(CC[N@H+](CCO)C2CCCC2)cc1 ZINC000050106852 523940916 /nfs/dbraw/zinc/94/09/16/523940916.db2.gz SYLKTSQZWOHPKH-UHFFFAOYSA-N 1 0 263.381 2.475 10 0 CEAERO COCC[NH2+]C[C@H]1CCCN(c2ccc(Cl)cn2)C1 ZINC000053703235 523943659 /nfs/dbraw/zinc/94/36/59/523943659.db2.gz OZIWPWQHVAMHFT-GFCCVEGCSA-N 1 0 283.803 2.187 10 0 CEAERO COCC[NH2+]C[C@](C)(O)c1cc(Cl)ccc1Cl ZINC000055033608 523944218 /nfs/dbraw/zinc/94/42/18/523944218.db2.gz JMOXUTLMGIRURJ-LBPRGKRZSA-N 1 0 278.179 2.437 10 0 CEAERO COCC[NH2+]C[C@H]1C[C@]1(C)c1ccc(OC)c(F)c1 ZINC000054598931 523944234 /nfs/dbraw/zinc/94/42/34/523944234.db2.gz IZCPCJRKVZNSCC-IUODEOHRSA-N 1 0 267.344 2.348 10 0 CEAERO COCC[NH2+]Cc1c(C)nc(-c2ccco2)nc1C ZINC000054854549 523946106 /nfs/dbraw/zinc/94/61/06/523946106.db2.gz YOKIAKHPNYAZJN-UHFFFAOYSA-N 1 0 261.325 2.089 10 0 CEAERO COCC[NH2+]Cc1c(N(C)CC(C)C)nc2sccn12 ZINC000062735343 523947154 /nfs/dbraw/zinc/94/71/54/523947154.db2.gz CZPOUZQBURAMSX-UHFFFAOYSA-N 1 0 296.440 2.224 10 0 CEAERO CC[C@H](C)[NH+]1CCN(C(=O)c2cccc(F)c2NC)CC1 ZINC000055085268 523951846 /nfs/dbraw/zinc/95/18/46/523951846.db2.gz NHMQZVHIDZKCRO-LBPRGKRZSA-N 1 0 293.386 2.424 10 0 CEAERO CC[C@H](C)[NH+]1CCN(C(=O)c2ccc(N)c(C)c2)CC1 ZINC000055063480 523951963 /nfs/dbraw/zinc/95/19/63/523951963.db2.gz QMNCOQXBPHTGIL-ZDUSSCGKSA-N 1 0 275.396 2.134 10 0 CEAERO COCC[NH2+]Cc1ccccc1N(C)C[C@H]1CCCO1 ZINC000062737071 523954039 /nfs/dbraw/zinc/95/40/39/523954039.db2.gz BVBHRPQMLHDYRW-OAHLLOKOSA-N 1 0 278.396 2.038 10 0 CEAERO CC[C@H](C)[NH+]1CCN(CC[C@@H](O)C(C)(C)C)CC1 ZINC000055073096 523954282 /nfs/dbraw/zinc/95/42/82/523954282.db2.gz KWFZEEAUCPMCSQ-UONOGXRCSA-N 1 0 256.434 2.200 10 0 CEAERO COCC[NH2+]Cc1ccccc1N(CCCO)C(C)C ZINC000062737662 523954283 /nfs/dbraw/zinc/95/42/83/523954283.db2.gz FERZZDHXLUVTIQ-UHFFFAOYSA-N 1 0 280.412 2.020 10 0 CEAERO COCC[NH2+]Cc1ccccc1N1CCCO[C@H](C)C1 ZINC000062738377 523955321 /nfs/dbraw/zinc/95/53/21/523955321.db2.gz CAKUPRMZZZFUQW-CQSZACIVSA-N 1 0 278.396 2.038 10 0 CEAERO COCC[NH2+]Cc1cnc(-c2ccc(F)c(C)c2)nc1 ZINC000054856800 523955459 /nfs/dbraw/zinc/95/54/59/523955459.db2.gz FREYMBYXQHXDPH-UHFFFAOYSA-N 1 0 275.327 2.327 10 0 CEAERO COCC[NH2+]Cc1nc2c([nH]1)C[C@H](c1ccccc1)CC2 ZINC000069236735 523956441 /nfs/dbraw/zinc/95/64/41/523956441.db2.gz XHSLCYVEYNFPLX-CQSZACIVSA-N 1 0 285.391 2.418 10 0 CEAERO COC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000067173418 523978953 /nfs/dbraw/zinc/97/89/53/523978953.db2.gz PQDOMCAJXCXMHX-KBPBESRZSA-N 1 0 261.365 2.460 10 0 CEAERO C[N@@H+]1CC[C@H](CNc2ccc(C(N)=S)cc2Cl)C1 ZINC000062795350 523982108 /nfs/dbraw/zinc/98/21/08/523982108.db2.gz PMCHVYSYXNBHHB-SECBINFHSA-N 1 0 283.828 2.338 10 0 CEAERO COC(=O)[C@](C)(C[C@H](C)[N@H+](C)C[C@@H]1C[C@@H]1C)NC(C)C ZINC000068647609 523999743 /nfs/dbraw/zinc/99/97/43/523999743.db2.gz VDGDGBUGLRLLJV-YXWQFLTLSA-N 1 0 284.444 2.283 10 0 CEAERO COc1ccc(CN(C)c2ccnc(C(N)=[NH2+])c2)cc1 ZINC000061814181 524010806 /nfs/dbraw/zinc/01/08/06/524010806.db2.gz AZONBTRLFOTWDL-UHFFFAOYSA-N 1 0 270.336 2.011 10 0 CEAERO COc1ccc(C[NH3+])cc1OCCc1cccnc1 ZINC000063221581 524016555 /nfs/dbraw/zinc/01/65/55/524016555.db2.gz CJSQUYDZHQTRCT-UHFFFAOYSA-N 1 0 258.321 2.170 10 0 CEAERO CN1c2ccc([C@@H]([NH3+])[C@@H]3CCCCO3)cc2CCC1=O ZINC000062806388 524033253 /nfs/dbraw/zinc/03/32/53/524033253.db2.gz CGOYSVUSKPCIML-GOEBONIOSA-N 1 0 274.364 2.165 10 0 CEAERO CN1c2ccc([C@@H]([NH3+])[C@H]3CCCOC3)cc2CCC1=O ZINC000062806416 524033368 /nfs/dbraw/zinc/03/33/68/524033368.db2.gz ZYYMMVNWIJSDRO-XJKSGUPXSA-N 1 0 274.364 2.022 10 0 CEAERO C[NH+](C)CC(C)(C)CN1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054600873 524045863 /nfs/dbraw/zinc/04/58/63/524045863.db2.gz KNPMUVGOKMIQPB-BETUJISGSA-N 1 0 252.402 2.160 10 0 CEAERO C[NH+](C)CC1CC[NH+]([C@H]2CCCCC[C@H]2C(=O)[O-])CC1 ZINC000062754211 524050394 /nfs/dbraw/zinc/05/03/94/524050394.db2.gz IYWAHQCTZKMYOO-CABCVRRESA-N 1 0 282.428 2.294 10 0 CEAERO C[NH+](C)CCCn1c2ccc(N)cc2nc1C1CC1 ZINC000052852065 524058111 /nfs/dbraw/zinc/05/81/11/524058111.db2.gz SPCIGAXUISDFQP-UHFFFAOYSA-N 1 0 258.369 2.448 10 0 CEAERO CNC(=O)CCOc1cc(C[NH2+]C(C)(C)C)ccc1OC ZINC000062732480 524069528 /nfs/dbraw/zinc/06/95/28/524069528.db2.gz UPGCDCFINMILKN-UHFFFAOYSA-N 1 0 294.395 2.098 10 0 CEAERO CNC(=O)[C@@H]1CCCN1c1ccccc1C[NH2+]CC(C)C ZINC000062737517 524082601 /nfs/dbraw/zinc/08/26/01/524082601.db2.gz UIMOASNQOGYOCD-INIZCTEOSA-N 1 0 289.423 2.147 10 0 CEAERO Cc1ccc(C)c(CC(=O)NCC[C@H]2CCCC[NH2+]2)c1 ZINC000053142255 524091232 /nfs/dbraw/zinc/09/12/32/524091232.db2.gz CTUULFAQXHDCAC-MRXNPFEDSA-N 1 0 274.408 2.494 10 0 CEAERO CNC(=O)[C@H](CC(C)C)[NH2+]Cc1ccc2ncccc2c1 ZINC000067503176 524102179 /nfs/dbraw/zinc/10/21/79/524102179.db2.gz GLNRDYMFDHFXAR-INIZCTEOSA-N 1 0 285.391 2.485 10 0 CEAERO COc1ccc(COCc2ccnc(C(N)=[NH2+])c2)cc1 ZINC000068762467 524119010 /nfs/dbraw/zinc/11/90/10/524119010.db2.gz FCIRWPAIBBOLKA-UHFFFAOYSA-N 1 0 271.320 2.091 10 0 CEAERO COc1cccc([C@H](C[NH2+]CC2CCOCC2)N(C)C)c1 ZINC000052171962 524160621 /nfs/dbraw/zinc/16/06/21/524160621.db2.gz VPAXJPDZYLMWDS-KRWDZBQOSA-N 1 0 292.423 2.314 10 0 CEAERO C[C@H]1CCC[C@H](C(=O)NCCC2CCCC2)[C@@H]1[NH3+] ZINC000055130607 524176558 /nfs/dbraw/zinc/17/65/58/524176558.db2.gz BZKQRKMUYNXXLA-FPMFFAJLSA-N 1 0 252.402 2.446 10 0 CEAERO C[C@@H]1CCCN(C(=O)C2CCC(C[NH3+])CC2)[C@@H]1C ZINC000055148161 524186315 /nfs/dbraw/zinc/18/63/15/524186315.db2.gz WJGXPJJKHOWPAO-IWMBGFJWSA-N 1 0 252.402 2.399 10 0 CEAERO COc1cccc([C@H]2[C@H](C[NH2+]C3CC3)CCN2C)c1OC ZINC000070282102 524188860 /nfs/dbraw/zinc/18/88/60/524188860.db2.gz KALRCBFNOSXFBS-BLLLJJGKSA-N 1 0 290.407 2.449 10 0 CEAERO C[C@@H]1CCC[NH2+][C@@H]1C(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000051794373 524263128 /nfs/dbraw/zinc/26/31/28/524263128.db2.gz DWLDZIASOXHBJP-DGAVXFQQSA-N 1 0 252.402 2.412 10 0 CEAERO Cc1ccc(CCC(=O)N2[C@H](C)C[NH2+]C[C@H]2C)cc1 ZINC000069132904 524293981 /nfs/dbraw/zinc/29/39/81/524293981.db2.gz PZXHUKKMPVBRJG-ZIAGYGMSSA-N 1 0 260.381 2.136 10 0 CEAERO C[C@H](C[NH3+])COc1cccc(I)c1 ZINC000052696398 524309445 /nfs/dbraw/zinc/30/94/45/524309445.db2.gz YVNNDTVGQIGCNW-MRVPVSSYSA-N 1 0 291.132 2.265 10 0 CEAERO COc1ccc(F)cc1[C@H](C)NC(=O)C1(C)CC[NH2+]CC1 ZINC000062840310 524329941 /nfs/dbraw/zinc/32/99/41/524329941.db2.gz QREGEGMULFJOJL-NSHDSACASA-N 1 0 294.370 2.401 10 0 CEAERO C[C@H]1CC[C@@H](C[NH3+])CN1c1ncnc2sccc21 ZINC000053704366 524352154 /nfs/dbraw/zinc/35/21/54/524352154.db2.gz QCPAYMXZOZCTEQ-UWVGGRQHSA-N 1 0 262.382 2.255 10 0 CEAERO C[C@H]1CC[C@@H](NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)C[C@@H]1C ZINC000068584809 524367168 /nfs/dbraw/zinc/36/71/68/524367168.db2.gz LVFPHBVDRCMOTR-GMZLATJGSA-N 1 0 290.407 2.203 10 0 CEAERO C[C@@H]1CCC[C@H](C[NH3+])N1C(=O)C1(c2ccccc2)CC1 ZINC000070152046 524374074 /nfs/dbraw/zinc/37/40/74/524374074.db2.gz TUXPJDLXJUYCRR-UKRRQHHQSA-N 1 0 272.392 2.447 10 0 CEAERO C[C@@H]1CCC[C@H](C[NH3+])N1Cc1nc(C(C)(C)C)no1 ZINC000070155220 524376069 /nfs/dbraw/zinc/37/60/69/524376069.db2.gz QYHMGXVWSBLREG-GHMZBOCLSA-N 1 0 266.389 2.069 10 0 CEAERO Cc1ccc(C[NH3+])cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000050430755 524424841 /nfs/dbraw/zinc/42/48/41/524424841.db2.gz OMKFIDUOKGZFAC-UHFFFAOYSA-N 1 0 294.351 2.394 10 0 CEAERO COc1ccccc1CN(C)c1ncc(C[NH3+])s1 ZINC000054897490 524438465 /nfs/dbraw/zinc/43/84/65/524438465.db2.gz UISAAEIGTBTABG-UHFFFAOYSA-N 1 0 263.366 2.247 10 0 CEAERO C[C@@H](CCC(=O)[O-])[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000050956747 524441670 /nfs/dbraw/zinc/44/16/70/524441670.db2.gz HHSGVECSVKEOIU-ZDUSSCGKSA-N 1 0 268.401 2.190 10 0 CEAERO C[C@@H]1CCN(C(=O)[C@@H]2[C@H](C)CCC[C@@H]2[NH3+])[C@H](C)C1 ZINC000055130855 524477673 /nfs/dbraw/zinc/47/76/73/524477673.db2.gz PVOPUPQVLBYKSL-XGFWRYKXSA-N 1 0 252.402 2.397 10 0 CEAERO COc1ccc(NC(=O)CC[NH2+][C@@H](C)[C@H]2CCCO2)cc1 ZINC000183212800 524479465 /nfs/dbraw/zinc/47/94/65/524479465.db2.gz NBRDMENDAYDIKE-SWLSCSKDSA-N 1 0 292.379 2.181 10 0 CEAERO COc1ccccc1CNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000052881039 524480064 /nfs/dbraw/zinc/48/00/64/524480064.db2.gz FYRDNRZFEQDGGB-QGZVFWFLSA-N 1 0 284.359 2.186 10 0 CEAERO Cc1cccc(N(C)Cc2cccnc2C(N)=[NH2+])c1 ZINC000061658361 524520442 /nfs/dbraw/zinc/52/04/42/524520442.db2.gz RKWIAMDKTWAABJ-UHFFFAOYSA-N 1 0 254.337 2.310 10 0 CEAERO C[C@@H](CCc1ccccc1)[NH2+]CCC(=O)NC1CC1 ZINC000054049785 524534738 /nfs/dbraw/zinc/53/47/38/524534738.db2.gz VFDMDZPLFXELGG-ZDUSSCGKSA-N 1 0 260.381 2.266 10 0 CEAERO C[C@@H]1CC[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccccc2)O1 ZINC000151038668 524551830 /nfs/dbraw/zinc/55/18/30/524551830.db2.gz UMHBTCXHENZIPU-ZBFHGGJFSA-N 1 0 290.407 2.144 10 0 CEAERO COc1ccccc1N1CCN(CC[NH2+]CC(C)C)CC1 ZINC000052422924 524555305 /nfs/dbraw/zinc/55/53/05/524555305.db2.gz VZDGZTJGNRFHOS-UHFFFAOYSA-N 1 0 291.439 2.063 10 0 CEAERO C[C@@H]1CC[C@@H](C(=O)NCCC2CCCC2)C[C@@H]1[NH3+] ZINC000055130578 524556766 /nfs/dbraw/zinc/55/67/66/524556766.db2.gz GCIPFROFQXAQEL-BNOWGMLFSA-N 1 0 252.402 2.446 10 0 CEAERO Cc1cccc(NC(=O)CCC[NH+]2CCC(O)CC2)c1 ZINC000049537536 524585644 /nfs/dbraw/zinc/58/56/44/524585644.db2.gz XSISFIKWENLFTB-UHFFFAOYSA-N 1 0 276.380 2.170 10 0 CEAERO C[C@H]1C[N@H+](CCCn2ccnc2)C2(CCCCC2)CN1 ZINC000068698786 524594848 /nfs/dbraw/zinc/59/48/48/524594848.db2.gz PPIZCZIMGJZRCN-HNNXBMFYSA-N 1 0 276.428 2.270 10 0 CEAERO C[C@@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)NCCC1CCCC1 ZINC000055130616 524602630 /nfs/dbraw/zinc/60/26/30/524602630.db2.gz FSXDQNJOLDQKMW-BNOWGMLFSA-N 1 0 252.402 2.446 10 0 CEAERO C[C@H]1CN(Cc2cc(C[NH2+]C(C)(C)C)no2)C[C@H](C)O1 ZINC000052380498 524610895 /nfs/dbraw/zinc/61/08/95/524610895.db2.gz BYAJFUBJUHECMX-RYUDHWBXSA-N 1 0 281.400 2.172 10 0 CEAERO COc1ccc(NC(=O)[C@H]2CCC[C@@H](C)[NH2+]2)cc1C ZINC000049532367 524614922 /nfs/dbraw/zinc/61/49/22/524614922.db2.gz RUSFGFORVYECAM-DGCLKSJQSA-N 1 0 262.353 2.473 10 0 CEAERO COc1ccccc1NC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000061610660 524623305 /nfs/dbraw/zinc/62/33/05/524623305.db2.gz YXAZLJYKGDPTDT-CYBMUJFWSA-N 1 0 270.332 2.376 10 0 CEAERO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCOc3ccccc32)C[NH2+]1 ZINC000051987963 524637281 /nfs/dbraw/zinc/63/72/81/524637281.db2.gz AMKBNRHXYKPAIR-MBNYWOFBSA-N 1 0 274.364 2.015 10 0 CEAERO Cc1cccc(NS(=O)(=O)C[C@H]2CCCC[NH2+]2)c1C ZINC000049630903 524689387 /nfs/dbraw/zinc/68/93/87/524689387.db2.gz RKKGOPNKVMLNQB-CYBMUJFWSA-N 1 0 282.409 2.187 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C)N1Cc1ccc(Br)o1 ZINC000068915047 524699562 /nfs/dbraw/zinc/69/95/62/524699562.db2.gz GDFBWEFJZOTIHC-IUCAKERBSA-N 1 0 273.174 2.224 10 0 CEAERO C[C@@H](C[NH2+]C[C@H]1CCCO1)n1ncc2ccccc21 ZINC000053536971 524740363 /nfs/dbraw/zinc/74/03/63/524740363.db2.gz UQZYUIURQXARKU-GXTWGEPZSA-N 1 0 259.353 2.366 10 0 CEAERO Cc1cccc(OCCN2CCC[NH2+]C(C)(C)C2)c1 ZINC000062660561 524740451 /nfs/dbraw/zinc/74/04/51/524740451.db2.gz MIKDJKJJJSLOBU-UHFFFAOYSA-N 1 0 262.397 2.448 10 0 CEAERO Cc1cc(C[NH2+]C2CCN(C(=O)C3CC3)CC2)c(C)n1C ZINC000052790233 524752456 /nfs/dbraw/zinc/75/24/56/524752456.db2.gz IOTLTIKQSRQXMI-UHFFFAOYSA-N 1 0 289.423 2.133 10 0 CEAERO C[C@@H](CNc1ccnc(Cl)n1)C[NH+]1CCCC1 ZINC000062076695 524759682 /nfs/dbraw/zinc/75/96/82/524759682.db2.gz ZXEBZHXAQSZTDB-JTQLQIEISA-N 1 0 254.765 2.274 10 0 CEAERO Cc1ccc(F)c(C(=O)N(CCC[NH3+])C(C)C)c1 ZINC000052980494 524784722 /nfs/dbraw/zinc/78/47/22/524784722.db2.gz RXSSJHWQUOCDEF-UHFFFAOYSA-N 1 0 252.333 2.334 10 0 CEAERO Cc1ccc(F)c(C(=O)NC[C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000062037161 524793629 /nfs/dbraw/zinc/79/36/29/524793629.db2.gz WJVAZYDXYHSEGQ-RYUDHWBXSA-N 1 0 264.344 2.252 10 0 CEAERO Cc1cccc(SCC[C@H]([NH2+]C2CC2)C(N)=O)c1 ZINC000062601496 524810009 /nfs/dbraw/zinc/81/00/09/524810009.db2.gz CGXDXILAHISFLY-ZDUSSCGKSA-N 1 0 264.394 2.083 10 0 CEAERO C[C@H]([NH3+])Cc1ccnc(Cc2cc(F)cc(F)c2)n1 ZINC000054834067 524834101 /nfs/dbraw/zinc/83/41/01/524834101.db2.gz OQLMNFBOSDBRNU-VIFPVBQESA-N 1 0 263.291 2.235 10 0 CEAERO C[C@H]([NH3+])[C@H](c1ccccc1F)N1CCC[C@@H]1CCCO ZINC000052757578 524854779 /nfs/dbraw/zinc/85/47/79/524854779.db2.gz ORSXLDSZVIORON-WOSRLPQWSA-N 1 0 280.387 2.451 10 0 CEAERO C[C@H]1C[C@@H]1[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000052275408 524855190 /nfs/dbraw/zinc/85/51/90/524855190.db2.gz DBYNKQYDWDXUMR-TUAOUCFPSA-N 1 0 254.374 2.384 10 0 CEAERO C[C@H]([NH3+])c1cccc(NC(=O)N2CCCO[C@H](C)C2)c1 ZINC000061938727 524867779 /nfs/dbraw/zinc/86/77/79/524867779.db2.gz QVHDSYKLOYCWMV-NEPJUHHUSA-N 1 0 277.368 2.349 10 0 CEAERO C[C@H]1C[C@H](C)C[NH+](Cc2ccnc(C(N)=S)c2)C1 ZINC000068751773 524884867 /nfs/dbraw/zinc/88/48/67/524884867.db2.gz HWMMUEWZXATOCT-QWRGUYRKSA-N 1 0 263.410 2.194 10 0 CEAERO Cc1ccc(N(CCC[NH3+])CCC(=O)NC(C)C)cc1 ZINC000054047878 524899048 /nfs/dbraw/zinc/89/90/48/524899048.db2.gz UJORPQRTUIWQNR-UHFFFAOYSA-N 1 0 277.412 2.065 10 0 CEAERO COc1ccc(OC2CCOCC2)c(C[C@@H](C)[NH3+])c1 ZINC000069310523 524927990 /nfs/dbraw/zinc/92/79/90/524927990.db2.gz MBIKHQHYXHSRKF-LLVKDONJSA-N 1 0 265.353 2.143 10 0 CEAERO C[C@H]1Cc2ccccc2N1Cc1cc[nH+]c(NN)c1 ZINC000052724503 524995048 /nfs/dbraw/zinc/99/50/48/524995048.db2.gz OYSVIDVECOGGPF-NSHDSACASA-N 1 0 254.337 2.318 10 0 CEAERO C[C@@H]([NH3+])Cc1cnc(-c2cc(F)c(F)c(F)c2)nc1 ZINC000054857812 525000840 /nfs/dbraw/zinc/00/08/40/525000840.db2.gz HJXUNNUWOUURPI-SSDOTTSWSA-N 1 0 267.254 2.451 10 0 CEAERO C[C@@H]([NH3+])[C@@H]1CCCCN1c1ccc(C(N)=O)cc1Cl ZINC000063196485 525008408 /nfs/dbraw/zinc/00/84/08/525008408.db2.gz WBOPDJBTJQFTMT-SKDRFNHKSA-N 1 0 281.787 2.145 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ZINC000055127203 525418981 /nfs/dbraw/zinc/41/89/81/525418981.db2.gz RAERFQJYWAPIRA-BNOWGMLFSA-N 1 0 252.402 2.446 10 0 CEAERO Cc1cc(Sc2cc(C)ccc2C(N)=[NH2+])n(C)n1 ZINC000052310047 525441091 /nfs/dbraw/zinc/44/10/91/525441091.db2.gz SLQAFIBSMUPHJY-UHFFFAOYSA-N 1 0 260.366 2.472 10 0 CEAERO Cc1ccc(O[C@H](C)C[C@@](C)([NH2+]C2CC2)C(N)=O)cc1C ZINC000068656038 525469410 /nfs/dbraw/zinc/46/94/10/525469410.db2.gz RGMJISFAUDGXJX-CXAGYDPISA-N 1 0 290.407 2.457 10 0 CEAERO Cc1cc([C@@H]([NH3+])CCC(N)=O)c(C)cc1Br ZINC000070021509 525482199 /nfs/dbraw/zinc/48/21/99/525482199.db2.gz DXJXOZLQMRDPLR-NSHDSACASA-N 1 0 285.185 2.331 10 0 CEAERO CSCC[NH2+][C@@H](C)c1ccc(NC(N)=O)cc1 ZINC000069430526 525510862 /nfs/dbraw/zinc/51/08/62/525510862.db2.gz WMEMTOSSLRUBPH-VIFPVBQESA-N 1 0 253.371 2.191 10 0 CEAERO Cc1cc([C@H]2CCCN2C(=O)[C@]2(C)CCC[NH2+]C2)on1 ZINC000062857499 525545815 /nfs/dbraw/zinc/54/58/15/525545815.db2.gz WGLWICXVFNRRNI-IUODEOHRSA-N 1 0 277.368 2.036 10 0 CEAERO CSC[C@@H](C)C[NH2+][C@@H](C)C(=O)NC1CCCC1 ZINC000069447751 525624122 /nfs/dbraw/zinc/62/41/22/525624122.db2.gz JJNCJKMMNSVZQX-QWRGUYRKSA-N 1 0 258.431 2.022 10 0 CEAERO Cc1cc2ncc(C[NH2+]CCc3ccc(O)cc3)cn2n1 ZINC000070166285 525681315 /nfs/dbraw/zinc/68/13/15/525681315.db2.gz PTWABGQBBJBRLD-UHFFFAOYSA-N 1 0 282.347 2.076 10 0 CEAERO CSC[C@H](C)C[NH2+][C@@H](C)C(=O)NCCC(C)C ZINC000069447589 525683066 /nfs/dbraw/zinc/68/30/66/525683066.db2.gz MCVPPYHQZGOFRP-NEPJUHHUSA-N 1 0 260.447 2.126 10 0 CEAERO Cc1c(C[NH2+]C2CC2)cnn1[C@H]1CCCCC[C@H]1O ZINC000054600510 525722488 /nfs/dbraw/zinc/72/24/88/525722488.db2.gz KARPVDIJKPVQDU-LSDHHAIUSA-N 1 0 263.385 2.310 10 0 CEAERO COc1cccc(-c2ncc(C[NH2+]C3CC3)cn2)c1 ZINC000054856181 525729266 /nfs/dbraw/zinc/72/92/66/525729266.db2.gz TZHOPLRTUQZQNP-UHFFFAOYSA-N 1 0 255.321 2.404 10 0 CEAERO C[C@@]1(CN(CC(F)(F)F)C2CC2)CCC[NH2+]C1 ZINC000062862842 525827997 /nfs/dbraw/zinc/82/79/97/525827997.db2.gz PQANIKPYCDFYDT-LLVKDONJSA-N 1 0 250.308 2.403 10 0 CEAERO C[C@H](O)c1ccccc1NC(=O)CCCCC[NH3+] ZINC000049547298 525858515 /nfs/dbraw/zinc/85/85/15/525858515.db2.gz ZZKLMSGGDSQIBM-NSHDSACASA-N 1 0 250.342 2.198 10 0 CEAERO C[C@H](O)c1ccccc1NC(=O)CC[NH2+]C(C)(C)C ZINC000049547372 525860105 /nfs/dbraw/zinc/86/01/05/525860105.db2.gz UHZXRHKUJLGOEL-NSHDSACASA-N 1 0 264.369 2.457 10 0 CEAERO C[C@@]1(c2nc(COc3ccccc3)no2)CCC[NH2+]C1 ZINC000062872435 525908734 /nfs/dbraw/zinc/90/87/34/525908734.db2.gz CFIDFZKHJNCUOS-OAHLLOKOSA-N 1 0 273.336 2.290 10 0 CEAERO Cc1ccc(-n2nnnc2C[NH2+]C(C)C)cc1C(F)(F)F ZINC000054762586 525936081 /nfs/dbraw/zinc/93/60/81/525936081.db2.gz YXIDCOAOCLPIQB-UHFFFAOYSA-N 1 0 299.300 2.488 10 0 CEAERO COc1cccc(CN2CC[NH2+]C[C@H]2c2ccccc2)n1 ZINC000068696110 525949247 /nfs/dbraw/zinc/94/92/47/525949247.db2.gz KQVKDWHWZIYYOY-INIZCTEOSA-N 1 0 283.375 2.237 10 0 CEAERO Cc1ccc(C(N)=[NH2+])c(-n2nnc3ccccc32)c1 ZINC000051580200 526010520 /nfs/dbraw/zinc/01/05/20/526010520.db2.gz NVPUIQWZWLPNBO-UHFFFAOYSA-N 1 0 251.293 2.013 10 0 CEAERO C[C@H](C(=O)NCCc1[nH+]cc2ccccn21)C1CC1 ZINC000062509344 526058650 /nfs/dbraw/zinc/05/86/50/526058650.db2.gz PQVRSSUDQLEUJO-NSHDSACASA-N 1 0 257.337 2.039 10 0 CEAERO COc1cccc(Cc2nc(C)cc(C[C@@H](C)[NH3+])n2)c1 ZINC000054835532 526084950 /nfs/dbraw/zinc/08/49/50/526084950.db2.gz YTBRGDHZSOOORM-LLVKDONJSA-N 1 0 271.364 2.274 10 0 CEAERO COc1cccc(Cc2nc(C)c(C[NH3+])c(C)n2)c1 ZINC000054836898 526085530 /nfs/dbraw/zinc/08/55/30/526085530.db2.gz VPFBPTBICAFJAD-UHFFFAOYSA-N 1 0 257.337 2.152 10 0 CEAERO Cc1ccc(C(=O)N2CCC[C@H]2[C@H]2CCC[NH2+]2)c(C)n1 ZINC000055331149 526106440 /nfs/dbraw/zinc/10/64/40/526106440.db2.gz ZIJPIDUMEIQIKV-CABCVRRESA-N 1 0 273.380 2.055 10 0 CEAERO Cc1ccc2c(c1)CCCN2S(=O)(=O)CC[NH2+]C(C)C ZINC000049641327 526146220 /nfs/dbraw/zinc/14/62/20/526146220.db2.gz KMJZEOGNHSHDBC-UHFFFAOYSA-N 1 0 296.436 2.075 10 0 CEAERO COc1cccc(N2CCN(C(=[NH2+])NC(C)(C)C)CC2)c1 ZINC000052037240 526146846 /nfs/dbraw/zinc/14/68/46/526146846.db2.gz GDPZLXHNXIXKFU-UHFFFAOYSA-N 1 0 290.411 2.140 10 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263.385 2.321 10 0 CEAERO Cc1nn(Cc2ccc(F)cc2F)c(C)c1C[NH3+] ZINC000050885461 526292501 /nfs/dbraw/zinc/29/25/01/526292501.db2.gz QNVHOLZJXYWQMI-UHFFFAOYSA-N 1 0 251.280 2.285 10 0 CEAERO O=C(C1CCCCC1)N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051358322 526298543 /nfs/dbraw/zinc/29/85/43/526298543.db2.gz YEYRGJUFZDLVCR-UONOGXRCSA-N 1 0 250.386 2.310 10 0 CEAERO Cc1nn([C@H](c2cccnc2)[C@H](C)[NH3+])c(C)c1Cl ZINC000050586388 526306240 /nfs/dbraw/zinc/30/62/40/526306240.db2.gz IOJNAQBFXZYXRK-SDBXPKJASA-N 1 0 264.760 2.485 10 0 CEAERO Fc1ccc(Cc2nccc(C[NH2+]C3CC3)n2)cc1 ZINC000054791975 526345171 /nfs/dbraw/zinc/34/51/71/526345171.db2.gz MWSBVWQWZSAYGE-UHFFFAOYSA-N 1 0 257.312 2.459 10 0 CEAERO Cc1csc(CNC[C@H]([NH3+])Cc2ccccc2)n1 ZINC000049539106 526356522 /nfs/dbraw/zinc/35/65/22/526356522.db2.gz ZDBISXDYNLPQCX-CYBMUJFWSA-N 1 0 261.394 2.111 10 0 CEAERO Cc1csc(Cc2noc(CCC(C)(C)[NH3+])n2)n1 ZINC000055266403 526369033 /nfs/dbraw/zinc/36/90/33/526369033.db2.gz LBKWVXQXTSWWFY-UHFFFAOYSA-N 1 0 266.370 2.095 10 0 CEAERO c1c(CN2CC[NH2+]CC23CCCCC3)nc2ccccn12 ZINC000068696401 526397424 /nfs/dbraw/zinc/39/74/24/526397424.db2.gz TUJLHQAXSZRDEA-UHFFFAOYSA-N 1 0 284.407 2.442 10 0 CEAERO c1cc2cnccc2c(C[NH2+][C@@H]2CN3CCC2CC3)c1 ZINC000061124876 526450310 /nfs/dbraw/zinc/45/03/10/526450310.db2.gz IZYWQQHZXUEGCM-QGZVFWFLSA-N 1 0 267.376 2.419 10 0 CEAERO c1ccc(NCCN2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000062974602 526482764 /nfs/dbraw/zinc/48/27/64/526482764.db2.gz SCTVUWTZDOAVLS-MRXNPFEDSA-N 1 0 259.397 2.269 10 0 CEAERO O=C([C@H]1CC[NH2+]C1)N(Cc1ccccc1)CC(F)(F)F ZINC000062114602 526549081 /nfs/dbraw/zinc/54/90/81/526549081.db2.gz OVUJDXSRKVAFSJ-LBPRGKRZSA-N 1 0 286.297 2.187 10 0 CEAERO Cc1nc(C)n(-c2ncc(C[NH2+]C3CC3)cc2Cl)n1 ZINC000051488315 526757585 /nfs/dbraw/zinc/75/75/85/526757585.db2.gz XTFRQFGWOVQJSE-UHFFFAOYSA-N 1 0 277.759 2.185 10 0 CEAERO NC(=[NH2+])c1cc(-n2cc(-c3ccccc3)cn2)ccn1 ZINC000061814445 526819867 /nfs/dbraw/zinc/81/98/67/526819867.db2.gz JZRWAGDZWYQKTA-UHFFFAOYSA-N 1 0 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278.396 2.228 10 0 CEAERO Cc1nc(N2C[C@H](C)O[C@@H](C)C2)sc1[C@@H](C)[NH3+] ZINC000054864242 526973703 /nfs/dbraw/zinc/97/37/03/526973703.db2.gz LIEBUBAMLJQUKE-XHNCKOQMSA-N 1 0 255.387 2.085 10 0 CEAERO NC(=O)c1cc(Cl)ccc1N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000052858814 527025122 /nfs/dbraw/zinc/02/51/22/527025122.db2.gz OOLANVBEGNYHOV-JSGCOSHPSA-N 1 0 293.798 2.160 10 0 CEAERO NC(=O)c1ccc(Cl)cc1N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000062785875 527052518 /nfs/dbraw/zinc/05/25/18/527052518.db2.gz MURNSEJUJHJEIS-QWHCGFSZSA-N 1 0 293.798 2.160 10 0 CEAERO NC(=S)C[C@H](c1ccccc1)[N@@H+]1CCCC[C@@H]1CO ZINC000055024856 527108743 /nfs/dbraw/zinc/10/87/43/527108743.db2.gz VZQQAKAXLQXHFD-ZIAGYGMSSA-N 1 0 278.421 2.251 10 0 CEAERO [NH3+]C1CCC([S@@](=O)c2ccc(F)cc2F)CC1 ZINC000055144853 527142320 /nfs/dbraw/zinc/14/23/20/527142320.db2.gz TWUZTGZCORHFOL-MQXQTZMCSA-N 1 0 259.321 2.342 10 0 CEAERO [NH3+]C1CCC([S@](=O)c2ccc(F)c(F)c2)CC1 ZINC000055144856 527142462 /nfs/dbraw/zinc/14/24/62/527142462.db2.gz 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535370682 /nfs/dbraw/zinc/37/06/82/535370682.db2.gz PYGNDFZMNMRJTI-OAHLLOKOSA-N 1 0 260.381 2.242 10 0 CEAERO CC[NH2+][C@H]1CCN(C(=O)c2ccnn2C)c2ccccc21 ZINC000071324473 535516391 /nfs/dbraw/zinc/51/63/91/535516391.db2.gz IVXKDEGMUPEFSQ-ZDUSSCGKSA-N 1 0 284.363 2.121 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@H](C)[C@@H](OC)c1ccccc1F ZINC000262095347 535677544 /nfs/dbraw/zinc/67/75/44/535677544.db2.gz BLJOYGRTXCPUBD-DDTOSNHZSA-N 1 0 282.359 2.145 10 0 CEAERO COc1ccc(F)c(N2CC(C)(C)[NH2+]C[C@@H]2C)c1 ZINC000094856976 536599903 /nfs/dbraw/zinc/59/99/03/536599903.db2.gz NYTMYSCWHLTBPS-JTQLQIEISA-N 1 0 252.333 2.411 10 0 CEAERO COC(=O)c1ccc(N2CCC(CC[NH3+])CC2)c(F)c1F ZINC000094272184 536731399 /nfs/dbraw/zinc/73/13/99/536731399.db2.gz BMYVBPYKALTFRX-UHFFFAOYSA-N 1 0 298.333 2.317 10 0 CEAERO COc1cc(N2CCC[C@@H](C[NH2+]C(C)(C)C)C2)ncn1 ZINC000090783876 536828757 /nfs/dbraw/zinc/82/87/57/536828757.db2.gz JHVUEQIBWCDLAN-LBPRGKRZSA-N 1 0 278.400 2.090 10 0 CEAERO 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ORLSVWDDLPEBGU-VIRWGQHYSA-N 1 0 264.398 2.084 10 0 CEAERO C[N@@H+]1C[C@@H](NCc2cccnc2Br)C(C)(C)C1 ZINC000675074981 567024645 /nfs/dbraw/zinc/02/46/45/567024645.db2.gz KNXVLFLWAKKURN-LLVKDONJSA-N 1 0 298.228 2.274 10 0 CEAERO [NH3+][C@H]1C[C@@H](C(F)(F)F)S(=O)(=O)c2ccc(Cl)cc21 ZINC000675059433 570365357 /nfs/dbraw/zinc/36/53/57/570365357.db2.gz ILTJYJXTBFTPLV-CBAPKCEASA-N 1 0 299.701 2.448 10 0 CEAERO Cc1cnn(CC[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H]2C)c1 ZINC000309720311 625294829 /nfs/dbraw/zinc/29/48/29/625294829.db2.gz MAMPHEKVJHMAJN-AEFFLSMTSA-N 1 0 298.434 2.444 10 0 CEAERO C[C@@H]1CN(C(=O)Cc2ccc(Cl)c(Cl)c2)C[C@H]1[NH3+] ZINC000235335454 625321848 /nfs/dbraw/zinc/32/18/48/625321848.db2.gz UMYDYRSSYLCKHO-PRHODGIISA-N 1 0 287.190 2.342 10 0 CEAERO C[C@@H]1CN(C(=O)Cc2ccc(C(F)(F)F)cc2)C[C@H]1[NH3+] ZINC000235335024 625322241 /nfs/dbraw/zinc/32/22/41/625322241.db2.gz VRBFYEVONYFCKT-BXKDBHETSA-N 1 0 286.297 2.054 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(C)o2)[C@H]1OC ZINC000252789684 622581085 /nfs/dbraw/zinc/58/10/85/622581085.db2.gz RSLLYVQWNLQLSV-ZMJPVWNMSA-N 1 0 253.342 2.431 10 0 CEAERO C[Si](C)(C)C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000177743040 623323424 /nfs/dbraw/zinc/32/34/24/623323424.db2.gz LTGKAHVQLCMRDH-CYBMUJFWSA-N 1 0 250.418 2.412 10 0 CEAERO CCC([NH3+])(CC)CNc1nc([C@@H](C)OC)ns1 ZINC000261541561 623364888 /nfs/dbraw/zinc/36/48/88/623364888.db2.gz BIEQJPLTZMYROC-MRVPVSSYSA-N 1 0 258.391 2.175 10 0 CEAERO CC(C)NC(=O)[C@H](C[NH3+])Cc1cccc2ccccc21 ZINC000050304188 623389524 /nfs/dbraw/zinc/38/95/24/623389524.db2.gz XQGXCBQKGISIHJ-HNNXBMFYSA-N 1 0 270.376 2.482 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@@H]1C(=O)NCCCOc1ccccc1 ZINC000089398072 623464463 /nfs/dbraw/zinc/46/44/63/623464463.db2.gz RAHMNCYZIALFLY-ZBFHGGJFSA-N 1 0 290.407 2.337 10 0 CEAERO CCOC1CC[NH+](C[C@@](C)(O)c2ccccc2)CC1 ZINC000052097066 625664624 /nfs/dbraw/zinc/66/46/24/625664624.db2.gz QSNDSVVTCUWKOW-MRXNPFEDSA-N 1 0 263.381 2.395 10 0 CEAERO C/C(=C/C(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000255377950 623841526 /nfs/dbraw/zinc/84/15/26/623841526.db2.gz KPFLVFGCYYPLRE-HECSCLNYSA-N 1 0 270.376 2.397 10 0 CEAERO CCOC1CC(CC(=O)N(C)C[C@H]2CCC[N@@H+]2CC)C1 ZINC000188022651 624387977 /nfs/dbraw/zinc/38/79/77/624387977.db2.gz IDUNQROLRNSNMQ-SHARSMKWSA-N 1 0 282.428 2.134 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccccc1C(F)(F)F ZINC000261614891 624725501 /nfs/dbraw/zinc/72/55/01/624725501.db2.gz TVSDMBRCELMUQN-KCJUWKMLSA-N 1 0 272.270 2.267 10 0 CEAERO COC(=O)N[C@@H](C(=O)Nc1ccc([C@H](C)[NH3+])cc1)C(C)C ZINC000178189745 627274116 /nfs/dbraw/zinc/27/41/16/627274116.db2.gz IRKIZQRMXCSFQE-GXFFZTMASA-N 1 0 293.367 2.025 10 0 CEAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)C[C@H]2CCC(=O)N2)o1 ZINC000310876853 627310869 /nfs/dbraw/zinc/31/08/69/627310869.db2.gz UUWMDOQQSGXPDO-ZMLRMANQSA-N 1 0 250.342 2.296 10 0 CEAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(F)cc1C ZINC000166532875 627641664 /nfs/dbraw/zinc/64/16/64/627641664.db2.gz BKKGWVKMPYMBOP-STQMWFEESA-N 1 0 251.301 2.000 10 0 CEAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(C)c(F)c1 ZINC000166618113 627642010 /nfs/dbraw/zinc/64/20/10/627642010.db2.gz YQVJYXHCBWNSFW-NEPJUHHUSA-N 1 0 251.301 2.000 10 0 CEAERO CC(=O)N1CC[C@H]([NH2+]C/C(Cl)=C/Cl)[C@H](C)C1 ZINC000309832224 627951139 /nfs/dbraw/zinc/95/11/39/627951139.db2.gz YVVUKEUDBLEJEU-COPRLGITSA-N 1 0 265.184 2.152 10 0 CEAERO C[C@H](NC(=O)[C@@H]([NH3+])CC1CC1)c1ccc(F)cc1F ZINC000312022885 628061489 /nfs/dbraw/zinc/06/14/89/628061489.db2.gz VMTREDCOFDJPRY-SDBXPKJASA-N 1 0 268.307 2.269 10 0 CEAERO O=C(NC[C@@H]1[NH2+]CCc2ccccc21)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000312309549 628226705 /nfs/dbraw/zinc/22/67/05/628226705.db2.gz YXVGAJDMKBAHTE-FQLMCAECSA-N 1 0 270.376 2.036 10 0 CEAERO Cc1sc2ncnc(NC[C@@H]3CCC[NH2+]3)c2c1C ZINC000053255056 628274049 /nfs/dbraw/zinc/27/40/49/628274049.db2.gz HIVVHSLTSWTEGP-JTQLQIEISA-N 1 0 262.382 2.472 10 0 CEAERO COC(C)(C)C[N@H+](C)C[C@](C)(O)c1ccccc1 ZINC000310558929 628301956 /nfs/dbraw/zinc/30/19/56/628301956.db2.gz JZXPQLYIWJMIGS-HNNXBMFYSA-N 1 0 251.370 2.251 10 0 CEAERO Cc1cc(C(=O)N2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)cc(Cl)n1 ZINC000313109761 628579568 /nfs/dbraw/zinc/57/95/68/628579568.db2.gz ZGWFTVXJKKYVBX-WCQYABFASA-N 1 0 293.798 2.067 10 0 CEAERO CC[C@@H]([NH3+])CNc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000104207310 628764838 /nfs/dbraw/zinc/76/48/38/628764838.db2.gz RNRZBFXLTNGYFQ-MRVPVSSYSA-N 1 0 296.314 2.129 10 0 CEAERO CC(C)(C[NH2+]C1CCN(CCO)CC1)c1ccccc1 ZINC000399027114 628769921 /nfs/dbraw/zinc/76/99/21/628769921.db2.gz JYUWQQNAIKRESJ-UHFFFAOYSA-N 1 0 276.424 2.011 10 0 CEAERO CC(C)(CO)[NH2+]CCc1ccccc1Br ZINC000258906633 628782279 /nfs/dbraw/zinc/78/22/79/628782279.db2.gz SIMXERNRWXDLHQ-UHFFFAOYSA-N 1 0 272.186 2.352 10 0 CEAERO C[NH2+]CCc1noc(-c2cccc(Cl)c2C)n1 ZINC000219985399 628819797 /nfs/dbraw/zinc/81/97/97/628819797.db2.gz IDEPQCLWDOTILE-UHFFFAOYSA-N 1 0 251.717 2.460 10 0 CEAERO Cc1nc(C)c(C[NH2+][C@H]2CCC[C@H]2Oc2cnn(C)c2)o1 ZINC000888099112 628868165 /nfs/dbraw/zinc/86/81/65/628868165.db2.gz STPODIHAPHEPCE-UONOGXRCSA-N 1 0 290.367 2.115 10 0 CEAERO [NH3+]C1CCC(C(=O)Nc2ccc(Br)nc2)CC1 ZINC000226392524 628904109 /nfs/dbraw/zinc/90/41/09/628904109.db2.gz VORGPBIEKRHHRH-UHFFFAOYSA-N 1 0 298.184 2.300 10 0 CEAERO COC(=O)[C@H]1C[N@H+](Cc2cc(F)ccc2C)C[C@@H]1C ZINC000226566063 628909707 /nfs/dbraw/zinc/90/97/07/628909707.db2.gz XNCRFFVSDAJEAB-FZMZJTMJSA-N 1 0 265.328 2.375 10 0 CEAERO C[NH2+][C@@H](C)CNc1nccc(C)c1Br ZINC000261529250 628934955 /nfs/dbraw/zinc/93/49/55/628934955.db2.gz QJLKLHWNVMZBJH-QMMMGPOBSA-N 1 0 258.163 2.172 10 0 CEAERO C[C@H]1CCCN(c2nccc(C(C)(C)C)n2)[C@H]1C[NH3+] ZINC000261613726 628948456 /nfs/dbraw/zinc/94/84/56/628948456.db2.gz SYGODZGZDHUXRD-RYUDHWBXSA-N 1 0 262.401 2.338 10 0 CEAERO Cc1cc2c(ncnc2N2CC[C@@](C)(C[NH3+])C2)s1 ZINC000235975036 628972780 /nfs/dbraw/zinc/97/27/80/628972780.db2.gz VYUGZYQLLHCOSY-ZDUSSCGKSA-N 1 0 262.382 2.175 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCC1CCC(C)(C)CC1 ZINC000261735352 629170347 /nfs/dbraw/zinc/17/03/47/629170347.db2.gz ORKYOTKTUXNWNU-DGCLKSJQSA-N 1 0 252.402 2.175 10 0 CEAERO C[NH+](C)C1(CNC(=O)c2cncc3cccnc32)CCCC1 ZINC000222615977 629184040 /nfs/dbraw/zinc/18/40/40/629184040.db2.gz DRIQMPSCOGNHTB-UHFFFAOYSA-N 1 0 298.390 2.234 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)CSC(F)(F)F)[C@@H](C)C1 ZINC000158824334 629234165 /nfs/dbraw/zinc/23/41/65/629234165.db2.gz SFKYZFDNNSFIPV-IUCAKERBSA-N 1 0 284.347 2.084 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000261813993 629254432 /nfs/dbraw/zinc/25/44/32/629254432.db2.gz SSAJKWVOZCJDOI-JOYOIKCWSA-N 1 0 286.297 2.196 10 0 CEAERO COc1ccc(C)cc1[C@H](C)NC(=O)c1ccnc(C[NH3+])c1 ZINC000261816897 629255070 /nfs/dbraw/zinc/25/50/70/629255070.db2.gz AIBUOIIXOAYLQT-LBPRGKRZSA-N 1 0 299.374 2.348 10 0 CEAERO C[C@@H](C[NH3+])c1noc(COc2cccc(Cl)c2)n1 ZINC000054158503 629258511 /nfs/dbraw/zinc/25/85/11/629258511.db2.gz XPQNVCDSDIUYCF-QMMMGPOBSA-N 1 0 267.716 2.364 10 0 CEAERO CCSc1cccc(NC(=O)C2([NH3+])CCOCC2)c1 ZINC000261840820 629272269 /nfs/dbraw/zinc/27/22/69/629272269.db2.gz LQWIQGIVPPOAMZ-UHFFFAOYSA-N 1 0 280.393 2.245 10 0 CEAERO Cc1cc(NC[C@H]2[NH2+]CCc3ccccc32)nc(C)n1 ZINC000261877639 629294135 /nfs/dbraw/zinc/29/41/35/629294135.db2.gz ZWHWFRJITRNMJP-OAHLLOKOSA-N 1 0 268.364 2.392 10 0 CEAERO CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NCC2C[NH2+]C2)cc1 ZINC000262014841 629439523 /nfs/dbraw/zinc/43/95/23/629439523.db2.gz KUSNDHUWDORROI-CVEARBPZSA-N 1 0 272.392 2.249 10 0 CEAERO COC(=O)[C@H]1C[N@H+](CCSC(C)(C)C)C[C@H]1C ZINC000304406887 629672782 /nfs/dbraw/zinc/67/27/82/629672782.db2.gz NNCIURQQZNQDKT-MNOVXSKESA-N 1 0 259.415 2.259 10 0 CEAERO Cc1ccc(C(=O)N(C(=O)[C@@H]2CCC[NH2+]C2)C2CC2)s1 ZINC000223181438 629841957 /nfs/dbraw/zinc/84/19/57/629841957.db2.gz FWWDFNVYMZWNHQ-LLVKDONJSA-N 1 0 292.404 2.187 10 0 CEAERO C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000252089876 631667110 /nfs/dbraw/zinc/66/71/10/631667110.db2.gz DLDKXVOWYHQNIO-MQYQWHSLSA-N 1 0 252.402 2.446 10 0 CEAERO [NH3+]CC1(C(=O)NC[C@@H](O)c2ccc(Cl)cc2)CCCC1 ZINC000151477719 639320096 /nfs/dbraw/zinc/32/00/96/639320096.db2.gz WZRYXKKMJRMAKZ-CYBMUJFWSA-N 1 0 296.798 2.009 10 0 CEAERO CCC[C@@H](C)C[NH+]1CCC(n2cc(CN(C)C)nn2)CC1 ZINC000055088943 639340646 /nfs/dbraw/zinc/34/06/46/639340646.db2.gz RDYTUHYHLNWQID-CQSZACIVSA-N 1 0 293.459 2.413 10 0 CEAERO Cc1cc(Cl)ncc1NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000157418858 639485623 /nfs/dbraw/zinc/48/56/23/639485623.db2.gz AZHBEHNTOLMWLY-DTWKUNHWSA-N 1 0 253.733 2.109 10 0 CEAERO CO[C@H](c1noc([C@@H]2CCCC[C@@H]2[NH3+])n1)C1CC1 ZINC000227331174 639584736 /nfs/dbraw/zinc/58/47/36/639584736.db2.gz MVNDXJLDYIIJLF-VWYCJHECSA-N 1 0 251.330 2.152 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]2CN(c3ccncc3Cl)C[C@H]21 ZINC000228552761 639642698 /nfs/dbraw/zinc/64/26/98/639642698.db2.gz BUUOTDGUJROTHQ-CKYFFXLPSA-N 1 0 251.761 2.299 10 0 CEAERO CC/C(C)=C\CC[N@@H+]1CC[C@@]2(C1)CCCNC2=O ZINC000229746418 639718891 /nfs/dbraw/zinc/71/88/91/639718891.db2.gz QLYMJKGHYRRMDO-IIEJUSTOSA-N 1 0 250.386 2.335 10 0 CEAERO Cc1c(C[NH2+]C[C@@H](O)c2ccccc2Cl)cnn1C ZINC000229812584 639720014 /nfs/dbraw/zinc/72/00/14/639720014.db2.gz VGVURNVHDAGELX-CQSZACIVSA-N 1 0 279.771 2.205 10 0 CEAERO Cc1ccc(CCC(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000061883715 639727243 /nfs/dbraw/zinc/72/72/43/639727243.db2.gz HZYAEPRTTYORAT-GJZGRUSLSA-N 1 0 260.381 2.171 10 0 CEAERO CN(Cc1ccn(-c2ccccc2)n1)[C@H]1CCC[NH2+]CC1 ZINC000231460012 639856190 /nfs/dbraw/zinc/85/61/90/639856190.db2.gz VLZAVTOQDRAHOU-INIZCTEOSA-N 1 0 284.407 2.446 10 0 CEAERO CC(C)[C@H]([NH3+])Cc1nc(-c2ccc(O)c(F)c2)no1 ZINC000232349188 639914572 /nfs/dbraw/zinc/91/45/72/639914572.db2.gz ZWMSUIHHHNPCMF-SNVBAGLBSA-N 1 0 265.288 2.107 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000232501404 639926621 /nfs/dbraw/zinc/92/66/21/639926621.db2.gz XUSUZAJJFCUZPB-MGPQQGTHSA-N 1 0 298.427 2.279 10 0 CEAERO CC(C)c1ccc(NC(=O)CN2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000232760991 640068652 /nfs/dbraw/zinc/06/86/52/640068652.db2.gz GPBSQLZDQABQCT-DOMZBBRYSA-N 1 0 275.396 2.028 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)/C=C/c2cccs2)C1 ZINC000193686819 640594038 /nfs/dbraw/zinc/59/40/38/640594038.db2.gz ODOBOUKXHLCNSQ-ABZNLYFFSA-N 1 0 264.394 2.362 10 0 CEAERO CC[C@@H]1CN(CCc2cccs2)CC[N@@H+]1C[C@@H](C)O ZINC000105827841 640935906 /nfs/dbraw/zinc/93/59/06/640935906.db2.gz KLTVUHPSPVLFIZ-ZIAGYGMSSA-N 1 0 282.453 2.068 10 0 CEAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1cc(C)ccc1F ZINC000233698841 641335346 /nfs/dbraw/zinc/33/53/46/641335346.db2.gz GYCHSCRZMBAKLR-RYUDHWBXSA-N 1 0 251.301 2.000 10 0 CEAERO CCS(=O)(=O)c1ccccc1NCCCCCC[NH3+] ZINC000233857254 641343810 /nfs/dbraw/zinc/34/38/10/641343810.db2.gz QVMTZTNEINKCTJ-UHFFFAOYSA-N 1 0 284.425 2.411 10 0 CEAERO CC[C@H]1c2ccsc2CCN1C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000233941282 641346280 /nfs/dbraw/zinc/34/62/80/641346280.db2.gz ITYNCPSPYPBACP-RTXFEEFZSA-N 1 0 278.421 2.439 10 0 CEAERO Cc1cccc(C)c1CCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000237624184 641362884 /nfs/dbraw/zinc/36/28/84/641362884.db2.gz VHSWKCAOWREQLL-CABCVRRESA-N 1 0 274.408 2.480 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccnc(Cl)c2)C1 ZINC000181849349 641600051 /nfs/dbraw/zinc/60/00/51/641600051.db2.gz HYTSRHMTITVYAR-LLVKDONJSA-N 1 0 282.775 2.341 10 0 CEAERO O[C@@H](C[NH2+][C@H]1COc2ccccc21)c1ccccc1 ZINC000070529590 641678669 /nfs/dbraw/zinc/67/86/69/641678669.db2.gz OGVIDILTOUJIJW-GJZGRUSLSA-N 1 0 255.317 2.443 10 0 CEAERO Cc1cc(CN2CC[N@@H+]3CCC[C@H]3C2)cc(Cl)n1 ZINC000320686290 642567988 /nfs/dbraw/zinc/56/79/88/642567988.db2.gz BQLQURNHNDGYLL-ZDUSSCGKSA-N 1 0 265.788 2.323 10 0 CEAERO COC(=O)[C@H]1C[N@H+](CC2(OC)CCCCC2)C[C@@H]1C ZINC000792170361 648617948 /nfs/dbraw/zinc/61/79/48/648617948.db2.gz SJKSKOFPLZUKFC-STQMWFEESA-N 1 0 269.385 2.077 10 0 CEAERO Cc1nccc(NC[C@@H]2[NH2+]CCc3ccccc32)n1 ZINC000210948592 651442694 /nfs/dbraw/zinc/44/26/94/651442694.db2.gz BZRSDWRMZYUAPF-AWEZNQCLSA-N 1 0 254.337 2.084 10 0 CEAERO CC1(CNc2nccc(C(F)(F)F)n2)CC[NH2+]CC1 ZINC000129445993 651970972 /nfs/dbraw/zinc/97/09/72/651970972.db2.gz RHVMUEGBMFRCLW-UHFFFAOYSA-N 1 0 274.290 2.297 10 0 CEAERO CCCNc1cc(NCC[C@@H]2CCCO2)ncn1 ZINC000131926713 652481615 /nfs/dbraw/zinc/48/16/15/652481615.db2.gz UACKHAXYJLUDJE-NSHDSACASA-N 1 0 250.346 2.280 10 0 CEAERO CC(=O)Nc1ccc(NC(=O)C[C@H]([NH3+])C(C)C)cc1C ZINC000136323036 653066029 /nfs/dbraw/zinc/06/60/29/653066029.db2.gz ZNVQGYOYYCPAMN-ZDUSSCGKSA-N 1 0 277.368 2.265 10 0 CEAERO CC(C)C[NH+]1CCN(c2ncc(N)cc2Cl)CC1 ZINC000232654791 719333266 /nfs/dbraw/zinc/33/32/66/719333266.db2.gz RRVZZHKPXGLPFJ-UHFFFAOYSA-N 1 0 268.792 2.095 10 0 CEAERO C[NH+]1CCN(c2nc3cc(-c4ccccc4)cnc3[nH]2)CC1 ZINC000095627256 185016996 /nfs/dbraw/zinc/01/69/96/185016996.db2.gz ZIDZESWHLHMFFD-UHFFFAOYSA-N 1 0 293.374 2.377 10 0 CEAERO C[NH2+]Cc1sc(N2CCC[C@H](C)C2)nc1COC ZINC000082447200 178025700 /nfs/dbraw/zinc/02/57/00/178025700.db2.gz JOIVTNCXMZNGDJ-JTQLQIEISA-N 1 0 269.414 2.245 10 0 CEAERO [NH3+]C[C@H](O[C@H]1CCOC1)c1cc(Br)cs1 ZINC000082453059 178032027 /nfs/dbraw/zinc/03/20/27/178032027.db2.gz OLJGPGRKRSTFKY-IUCAKERBSA-N 1 0 292.198 2.316 10 0 CEAERO CCc1nc(Cl)cc(NCC[NH+](CC)CC)n1 ZINC000082509493 178076012 /nfs/dbraw/zinc/07/60/12/178076012.db2.gz BEDMGKILZVJOFH-UHFFFAOYSA-N 1 0 256.781 2.446 10 0 CEAERO CN(CC[NH+](C)C)Cc1c(N)cccc1Br ZINC000082539697 178088915 /nfs/dbraw/zinc/08/89/15/178088915.db2.gz SBLNDYWLRDVDRH-UHFFFAOYSA-N 1 0 286.217 2.025 10 0 CEAERO CC[C@H]1CN(CCc2ccc(C)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000124591402 187145071 /nfs/dbraw/zinc/14/50/71/187145071.db2.gz ISFOZWFMGFSKAX-AEFFLSMTSA-N 1 0 290.451 2.315 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)Cc2ccc(F)cc2Cl)C1 ZINC000121254593 365542227 /nfs/dbraw/zinc/54/22/27/365542227.db2.gz TWSNWIKLYBMAOW-GFCCVEGCSA-N 1 0 284.762 2.184 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)Cc2ccc(F)cc2Cl)C1 ZINC000121254744 365542364 /nfs/dbraw/zinc/54/23/64/365542364.db2.gz TWSNWIKLYBMAOW-LBPRGKRZSA-N 1 0 284.762 2.184 10 0 CEAERO CS(=O)(=O)c1ccc([C@@H]([NH3+])C2CCCC2)cc1 ZINC000082619736 178128402 /nfs/dbraw/zinc/12/84/02/178128402.db2.gz GFUQDZDQDLLGNZ-ZDUSSCGKSA-N 1 0 253.367 2.280 10 0 CEAERO Cc1c(Cl)cccc1NC(=O)C1([NH3+])CCOCC1 ZINC000127700701 187327093 /nfs/dbraw/zinc/32/70/93/187327093.db2.gz JPCZYWUUFLORRE-UHFFFAOYSA-N 1 0 268.744 2.095 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000034939134 361799371 /nfs/dbraw/zinc/79/93/71/361799371.db2.gz OPIVTJSOFLQCET-AMIZOPFISA-N 1 0 261.325 2.380 10 0 CEAERO CCCC[N@H+](C)Cc1cc(N)cc2c1OCOC2 ZINC000034964123 361801664 /nfs/dbraw/zinc/80/16/64/361801664.db2.gz CLJOKONGUNFWSF-UHFFFAOYSA-N 1 0 250.342 2.367 10 0 CEAERO C[C@]([NH3+])(c1nc2cc(Br)cnc2[nH]1)C1CC1 ZINC000082757361 178278354 /nfs/dbraw/zinc/27/83/54/178278354.db2.gz ZIMATGKCXFBHOU-LLVKDONJSA-N 1 0 281.157 2.304 10 0 CEAERO CN(C)C(=O)N1CC2(CC[NH2+]CC2)c2cc(Cl)ccc21 ZINC000096088782 185094151 /nfs/dbraw/zinc/09/41/51/185094151.db2.gz IOEBFSJRGVDFEN-UHFFFAOYSA-N 1 0 293.798 2.463 10 0 CEAERO C[C@@H](C[NH3+])[C@H](O)c1ccc(Br)cc1F ZINC000083021729 178334415 /nfs/dbraw/zinc/33/44/15/178334415.db2.gz OCXJPTDLDXNBCE-WKEGUHRASA-N 1 0 262.122 2.216 10 0 CEAERO CCCC[C@@H](CCC)CNC(=O)NC[C@@H]1CN(C)CCO1 ZINC000124916629 365663200 /nfs/dbraw/zinc/66/32/00/365663200.db2.gz VDFJEYFXVUVVOO-HUUCEWRRSA-N 1 0 299.459 2.223 10 0 CEAERO C[C@@H](C[C@](C)(O)C[NH3+])Sc1ncccc1Cl ZINC000082917645 178329346 /nfs/dbraw/zinc/32/93/46/178329346.db2.gz FKMHKRGVOWSBFY-KWQFWETISA-N 1 0 260.790 2.315 10 0 CEAERO CC[NH2+][C@@](C)(CO)CSc1ccc(Cl)cn1 ZINC000082905447 178329422 /nfs/dbraw/zinc/32/94/22/178329422.db2.gz MNPSRCJGDVVZLT-NSHDSACASA-N 1 0 260.790 2.188 10 0 CEAERO [NH3+]C[C@H](O)CCSc1ccccc1Br ZINC000082917458 178329554 /nfs/dbraw/zinc/32/95/54/178329554.db2.gz JEYSHHIDVFCYJP-MRVPVSSYSA-N 1 0 276.199 2.251 10 0 CEAERO C[NH2+][C@@](C)(CO)CCSc1ncccc1Cl ZINC000082905467 178329609 /nfs/dbraw/zinc/32/96/09/178329609.db2.gz MLEVKERBUIOQFH-LLVKDONJSA-N 1 0 260.790 2.188 10 0 CEAERO CC[NH2+]CCc1cc(Br)c2c(c1)OCCO2 ZINC000082954739 178330222 /nfs/dbraw/zinc/33/02/22/178330222.db2.gz MLQOOBTWUXCOMD-UHFFFAOYSA-N 1 0 286.169 2.372 10 0 CEAERO [NH3+][C@@]1(Cc2cc(F)ccc2Br)CCOC1 ZINC000083186622 178352018 /nfs/dbraw/zinc/35/20/18/178352018.db2.gz FXBGEIWXCASOOT-LLVKDONJSA-N 1 0 274.133 2.249 10 0 CEAERO Cc1ccc(Br)cc1CN1CC[NH2+]CC1 ZINC000083256416 178372276 /nfs/dbraw/zinc/37/22/76/178372276.db2.gz FDRKVFYLINRPMU-UHFFFAOYSA-N 1 0 269.186 2.163 10 0 CEAERO CC(C)(C)OC(=O)N1CCC2(C[C@H]([NH3+])CS2)CC1 ZINC000096944294 185135040 /nfs/dbraw/zinc/13/50/40/185135040.db2.gz PPITXYYFYAVLEK-JTQLQIEISA-N 1 0 272.414 2.220 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[NH2+]CC2 ZINC000096958547 185142087 /nfs/dbraw/zinc/14/20/87/185142087.db2.gz SNKZSRUKZKTDSA-AWEZNQCLSA-N 1 0 254.374 2.387 10 0 CEAERO Fc1ccc(Br)cc1-n1cncc1C1C[NH2+]C1 ZINC000097015147 185152285 /nfs/dbraw/zinc/15/22/85/185152285.db2.gz CDCWZKIRNKXHTC-UHFFFAOYSA-N 1 0 296.143 2.461 10 0 CEAERO [NH3+]CC1CCC(C(=O)NC[C@@H]2CCCCS2)CC1 ZINC000097031765 185155251 /nfs/dbraw/zinc/15/52/51/185155251.db2.gz YTGKOSROCUGXHB-BPCQOVAHSA-N 1 0 270.442 2.153 10 0 CEAERO C[NH2+]C[C@@H]1CCCN(c2ncnc3sccc32)C1 ZINC000040601927 361995892 /nfs/dbraw/zinc/99/58/92/361995892.db2.gz QIBUGNYDWCHKTD-JTQLQIEISA-N 1 0 262.382 2.127 10 0 CEAERO Cc1nccc(C[NH2+][C@@H]2CCc3ccccc3C2)n1 ZINC000037997822 282184134 /nfs/dbraw/zinc/18/41/34/282184134.db2.gz VLGBDVXZQMMASU-OAHLLOKOSA-N 1 0 253.349 2.432 10 0 CEAERO COc1ccc(C[N@@H+]2CCC[C@H](O)[C@H]2C)cc1OC ZINC000294974340 199279325 /nfs/dbraw/zinc/27/93/25/199279325.db2.gz JFXGMWQKRZFHOC-YPMHNXCESA-N 1 0 265.353 2.049 10 0 CEAERO CC1(C)C[C@H](O)CC[N@H+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000395384460 539185093 /nfs/dbraw/zinc/18/50/93/539185093.db2.gz LEEVWVSSJNHIIQ-MELADBBJSA-N 1 0 255.402 2.020 10 0 CEAERO Cc1nccnc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000621726102 349680313 /nfs/dbraw/zinc/68/03/13/349680313.db2.gz JYQVZAZDDNECIZ-FVQBIDKESA-N 1 0 275.396 2.301 10 0 CEAERO CCc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCNC2=O)cc1 ZINC000395832096 539187755 /nfs/dbraw/zinc/18/77/55/539187755.db2.gz VMGMBTZAGQHCDO-IUODEOHRSA-N 1 0 260.381 2.426 10 0 CEAERO CC(C)[C@@H]1CN(CCOc2ccccc2)[C@@H](C)C[NH2+]1 ZINC000083457137 178473148 /nfs/dbraw/zinc/47/31/48/178473148.db2.gz YLKHOJPDTMHQOO-HOCLYGCPSA-N 1 0 262.397 2.384 10 0 CEAERO O=C(N[C@H]1CCC[NH2+]C[C@H]1F)OCc1ccccc1 ZINC000725262006 539209925 /nfs/dbraw/zinc/20/99/25/539209925.db2.gz QPJQHXOAZRHVCN-OLZOCXBDSA-N 1 0 266.316 2.003 10 0 CEAERO CCC(C)(C)NC(=O)N[C@H]1CC[NH2+]CC[C@H]1C(F)(F)F ZINC000725262759 539211670 /nfs/dbraw/zinc/21/16/70/539211670.db2.gz OPOFVQAGJWJCPK-ZJUUUORDSA-N 1 0 295.349 2.405 10 0 CEAERO CC(C)CNC(=O)N1CCC[C@H]([C@@]23CC[C@H]2CC[NH2+]3)C1 ZINC000725263435 539212131 /nfs/dbraw/zinc/21/21/31/539212131.db2.gz GGYAUZWCKXHOFV-OFQRWUPVSA-N 1 0 279.428 2.206 10 0 CEAERO CC(C)(C)NC(=O)N[C@H]1CCCC12CC[NH2+]CC2 ZINC000725263930 539212406 /nfs/dbraw/zinc/21/24/06/539212406.db2.gz CDDJJCWLCWVHEY-NSHDSACASA-N 1 0 253.390 2.006 10 0 CEAERO CC(C)[C@H](C)NC(=O)N[C@@H]1CCCC12CC[NH2+]CC2 ZINC000725264121 539212642 /nfs/dbraw/zinc/21/26/42/539212642.db2.gz KEJSDJRQRSYSTE-QWHCGFSZSA-N 1 0 267.417 2.252 10 0 CEAERO CCC(C)(C)NC(=O)N[C@H]1CCCC12CC[NH2+]CC2 ZINC000725265124 539213135 /nfs/dbraw/zinc/21/31/35/539213135.db2.gz HMYYDTFHTZUKND-LBPRGKRZSA-N 1 0 267.417 2.397 10 0 CEAERO Fc1cccc(-c2cnnn2[C@@H]2CCC[NH2+]CC2)c1 ZINC000725266055 539213421 /nfs/dbraw/zinc/21/34/21/539213421.db2.gz IEGQCSQDIXALJC-CYBMUJFWSA-N 1 0 260.316 2.399 10 0 CEAERO CC(C)(C)OC(=O)[C@@]1(C)CC2(C[C@@H]1[NH3+])CCOCC2 ZINC000725266664 539213779 /nfs/dbraw/zinc/21/37/79/539213779.db2.gz UEQUKFUTZPSLNS-FZMZJTMJSA-N 1 0 269.385 2.252 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)C1 ZINC000246581806 282198148 /nfs/dbraw/zinc/19/81/48/282198148.db2.gz SEIYGTXSCLWZMR-MXASKKJJSA-N 1 0 299.418 2.060 10 0 CEAERO CC[C@@H]1CN2CCCC[C@H]2C[N@@H+]1CCOCC1CC1 ZINC000300404432 539249938 /nfs/dbraw/zinc/24/99/38/539249938.db2.gz XLMHFORZPCKFBB-CVEARBPZSA-N 1 0 266.429 2.362 10 0 CEAERO CCC(CC)NC(=O)[C@@H](C)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000245481605 282207305 /nfs/dbraw/zinc/20/73/05/282207305.db2.gz YMORMBHTAWFHSE-UKRRQHHQSA-N 1 0 283.460 2.096 10 0 CEAERO Cc1noc2ncnc(NC[C@H]3CCC[N@H+]3CC(C)C)c12 ZINC000192506830 539271159 /nfs/dbraw/zinc/27/11/59/539271159.db2.gz IQACIEPHLFGYSQ-GFCCVEGCSA-N 1 0 289.383 2.459 10 0 CEAERO O=C1CC[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2)N1 ZINC000079928396 539276644 /nfs/dbraw/zinc/27/66/44/539276644.db2.gz JBBVKWRMDLZXBF-LLVKDONJSA-N 1 0 273.163 2.362 10 0 CEAERO Cc1cccc([C@@H]([NH3+])CN2C(=O)c3ccccc3C2=O)c1 ZINC000041088976 362017718 /nfs/dbraw/zinc/01/77/18/362017718.db2.gz AAHSFOWVKRTGIY-HNNXBMFYSA-N 1 0 280.327 2.291 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)CCCc2ccccn2)[C@@H](C)C1 ZINC000159057979 539293873 /nfs/dbraw/zinc/29/38/73/539293873.db2.gz BWNKLGXXAYNVHA-HOCLYGCPSA-N 1 0 289.423 2.249 10 0 CEAERO CC[C@@H]([NH3+])c1nc2cc(Br)cnc2[nH]1 ZINC000043460912 362145112 /nfs/dbraw/zinc/14/51/12/362145112.db2.gz NWHBCVBAHLWRHT-ZCFIWIBFSA-N 1 0 255.119 2.130 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)N(C)C ZINC000043020101 362133981 /nfs/dbraw/zinc/13/39/81/362133981.db2.gz CHCRBTGMIAWACB-KCJUWKMLSA-N 1 0 257.175 2.399 10 0 CEAERO CCOCCCN1C[C@@H]2CCCC[N@@H+]2C[C@@H]1CC ZINC000227354720 539299158 /nfs/dbraw/zinc/29/91/58/539299158.db2.gz YMPANZZEQSGVSX-GJZGRUSLSA-N 1 0 254.418 2.362 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc2c[nH]nc2c1 ZINC000126689412 187256086 /nfs/dbraw/zinc/25/60/86/187256086.db2.gz PXYUYQVVBIMGNV-SWLSCSKDSA-N 1 0 270.380 2.231 10 0 CEAERO Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@@H](CO)CC(C)C)c1 ZINC000040776864 343438435 /nfs/dbraw/zinc/43/84/35/343438435.db2.gz HVDRHTNQGWYWGF-HZPDHXFCSA-N 1 0 295.423 2.040 10 0 CEAERO O[C@H]1CCC[C@H]([NH2+]Cc2cccc3c2OCCCO3)C1 ZINC000037164072 343426178 /nfs/dbraw/zinc/42/61/78/343426178.db2.gz FOVGOKPPPYJCKW-KBPBESRZSA-N 1 0 277.364 2.241 10 0 CEAERO COCCN(Cc1ccccc1)C(=O)C1CCC([NH3+])CC1 ZINC000037798227 343431002 /nfs/dbraw/zinc/43/10/02/343431002.db2.gz MNWPRGUKXVXJJB-UHFFFAOYSA-N 1 0 290.407 2.179 10 0 CEAERO Cn1c(=O)c2c([nH]c1=S)CC[N@@H+](Cc1ccccc1)C2 ZINC000038683113 343434339 /nfs/dbraw/zinc/43/43/39/343434339.db2.gz ZEWQSKCKLAHHIQ-UHFFFAOYSA-N 1 0 287.388 2.413 10 0 CEAERO CCOC(C)(C)C[NH2+][C@@H]1CC(=O)N(C)c2ccccc21 ZINC000159244200 136391915 /nfs/dbraw/zinc/39/19/15/136391915.db2.gz SKKFKKRDLUUGEG-CYBMUJFWSA-N 1 0 276.380 2.499 10 0 CEAERO C[C@@H]1CN(Cc2ccccc2)CC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000306224359 539327611 /nfs/dbraw/zinc/32/76/11/539327611.db2.gz DEYOJTMCYONLPF-KBAYOESNSA-N 1 0 288.435 2.354 10 0 CEAERO CCc1ncnc(N[C@@H]2CCC[N@@H+](CC)C2)c1F ZINC000179277418 529762352 /nfs/dbraw/zinc/76/23/52/529762352.db2.gz XXLVJUICQKTLTR-SNVBAGLBSA-N 1 0 252.337 2.074 10 0 CEAERO O=C(CC[N@@H+]1CCO[C@@H]2CCCC[C@H]21)NC1CCCC1 ZINC000062640508 343672415 /nfs/dbraw/zinc/67/24/15/343672415.db2.gz ZLNPTKYTBUOMDH-HUUCEWRRSA-N 1 0 280.412 2.079 10 0 CEAERO CCc1nc(CN(C)C(=O)[C@@H]2CCC[C@@H]2C[NH3+])cs1 ZINC000328493607 539351268 /nfs/dbraw/zinc/35/12/68/539351268.db2.gz TVQLNOJRAWFLTD-ZYHUDNBSSA-N 1 0 281.425 2.039 10 0 CEAERO CC[C@H](C[NH3+])NC(=O)c1ccc(F)cc1Br ZINC000083566128 178582239 /nfs/dbraw/zinc/58/22/39/178582239.db2.gz IZYRTRDENXBSOU-MRVPVSSYSA-N 1 0 289.148 2.055 10 0 CEAERO CN(CC[NH2+][C@H](CO)C(C)(C)C)Cc1ccc(F)cc1 ZINC000193113460 529917926 /nfs/dbraw/zinc/91/79/26/529917926.db2.gz GKYPGOKXCRVFGE-OAHLLOKOSA-N 1 0 282.403 2.254 10 0 CEAERO CC[C@H](C[NH3+])C(=O)NCc1ccccc1Br ZINC000083604914 178612896 /nfs/dbraw/zinc/61/28/96/178612896.db2.gz JLUSEOVSZHXYIU-SECBINFHSA-N 1 0 285.185 2.050 10 0 CEAERO [NH3+]C[C@@H]1CCCN1CCOc1cccc(Br)c1 ZINC000049596418 362372058 /nfs/dbraw/zinc/37/20/58/362372058.db2.gz UMIACLKKFRSCJN-LBPRGKRZSA-N 1 0 299.212 2.251 10 0 CEAERO Cc1cnc([C@@H](C)NC(=O)C[C@@H]2CCC[NH2+]C2)s1 ZINC000124513914 344314797 /nfs/dbraw/zinc/31/47/97/344314797.db2.gz PXUHRVIZGBGUPB-MNOVXSKESA-N 1 0 267.398 2.018 10 0 CEAERO C[C@@H]([NH3+])C[C@H](O)c1cc(Br)ccc1F ZINC000132363717 344363409 /nfs/dbraw/zinc/36/34/09/344363409.db2.gz ZECJCEORLADNOO-LDWIPMOCSA-N 1 0 262.122 2.359 10 0 CEAERO C[C@H](Cc1ccsc1)NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000136179426 344384095 /nfs/dbraw/zinc/38/40/95/344384095.db2.gz KJQVEDYQWPOIOI-BXUZGUMPSA-N 1 0 266.410 2.328 10 0 CEAERO O=C(C[NH2+]CCO)Nc1ccc(C2CCCCC2)cc1 ZINC000145652657 344409195 /nfs/dbraw/zinc/40/91/95/344409195.db2.gz SFXRYRQFZYFFLA-UHFFFAOYSA-N 1 0 276.380 2.255 10 0 CEAERO CCOC(=O)CCC[NH2+]CCN(C(C)C)C(C)C ZINC000147866399 344412911 /nfs/dbraw/zinc/41/29/11/344412911.db2.gz DWJRKQNNDLCWTQ-UHFFFAOYSA-N 1 0 258.406 2.038 10 0 CEAERO CN(C)[C@@H](C[NH3+])c1ccc(Br)c(F)c1 ZINC000161345042 344463549 /nfs/dbraw/zinc/46/35/49/344463549.db2.gz LCEXQKHCKADNNU-JTQLQIEISA-N 1 0 261.138 2.150 10 0 CEAERO C[C@]1(NCc2cc(Br)cs2)CC[NH2+]C1 ZINC000230745062 344573254 /nfs/dbraw/zinc/57/32/54/344573254.db2.gz UYJTZGXUOYWFFD-JTQLQIEISA-N 1 0 275.215 2.352 10 0 CEAERO CCOc1ccccc1C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000226458147 344550302 /nfs/dbraw/zinc/55/03/02/344550302.db2.gz SWPODPITLKSSFR-CYBMUJFWSA-N 1 0 276.380 2.299 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000226576044 344550710 /nfs/dbraw/zinc/55/07/10/344550710.db2.gz UCFCXWDWQZFPBD-RDBSUJKOSA-N 1 0 250.386 2.167 10 0 CEAERO C[C@H](C[NH+](C)C)Nc1ncc(Br)cc1F ZINC000235452531 344591134 /nfs/dbraw/zinc/59/11/34/344591134.db2.gz LSKKTIBNJLCTLX-SSDOTTSWSA-N 1 0 276.153 2.345 10 0 CEAERO [NH3+]CC[C@H](O)c1cc(Cl)cc(Br)c1 ZINC000236210866 344594959 /nfs/dbraw/zinc/59/49/59/344594959.db2.gz RALHHWXUCHAMNO-VIFPVBQESA-N 1 0 264.550 2.485 10 0 CEAERO NNc1[nH+]cnc(NCc2ccccc2)c1Br ZINC000236295426 344595069 /nfs/dbraw/zinc/59/50/69/344595069.db2.gz AVDUUFYIECNOLM-UHFFFAOYSA-N 1 0 294.156 2.137 10 0 CEAERO [NH3+][C@H](CC1OCCO1)c1sccc1Br ZINC000236317436 344595387 /nfs/dbraw/zinc/59/53/87/344595387.db2.gz PZVSMRBACHRKQE-SSDOTTSWSA-N 1 0 278.171 2.273 10 0 CEAERO Nc1[nH]cc(-c2ccc(I)cc2)[nH+]1 ZINC000236362969 344595542 /nfs/dbraw/zinc/59/55/42/344595542.db2.gz ULLKFALDJSGGEJ-UHFFFAOYSA-N 1 0 285.088 2.264 10 0 CEAERO CCNC(=[NH2+])Nc1cccc(I)c1 ZINC000052069068 362463150 /nfs/dbraw/zinc/46/31/50/362463150.db2.gz QXVHYGDSDIKVEB-UHFFFAOYSA-N 1 0 289.120 2.247 10 0 CEAERO C[NH2+][C@@H]1CCCN(c2cccc(C(F)(F)F)n2)C1 ZINC000053204684 362487625 /nfs/dbraw/zinc/48/76/25/362487625.db2.gz QILISLRSIQVCIH-SECBINFHSA-N 1 0 259.275 2.289 10 0 CEAERO C[C@@H]1CCC[C@H](CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000261566032 344653073 /nfs/dbraw/zinc/65/30/73/344653073.db2.gz IBIUEDSOBHMYDM-RQJABVFESA-N 1 0 252.402 2.446 10 0 CEAERO C[C@@H]1CCC[C@H](CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000261566030 344653150 /nfs/dbraw/zinc/65/31/50/344653150.db2.gz IBIUEDSOBHMYDM-RFGFWPKPSA-N 1 0 252.402 2.446 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@H](C)CCc2ccccc2)C1 ZINC000252668393 344641031 /nfs/dbraw/zinc/64/10/31/344641031.db2.gz WETXSGDVPLDADG-NVXWUHKLSA-N 1 0 276.424 2.318 10 0 CEAERO [NH2+]=C(Nc1cnn(Cc2ccccc2)c1)NC1CC1 ZINC000307025431 344719560 /nfs/dbraw/zinc/71/95/60/344719560.db2.gz XBRTWIOQCVNQHF-UHFFFAOYSA-N 1 0 255.325 2.030 10 0 CEAERO [NH3+]C/C=C\CNc1ncc(Cl)cc1Br ZINC000308434666 344727456 /nfs/dbraw/zinc/72/74/56/344727456.db2.gz KCZFPHCERPLLQA-UPHRSURJSA-N 1 0 276.565 2.424 10 0 CEAERO CCS[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000300409341 344699807 /nfs/dbraw/zinc/69/98/07/344699807.db2.gz XMMNZZHGLWSBQQ-ZDEQEGDKSA-N 1 0 270.442 2.152 10 0 CEAERO CC[C@@H](NC(N)=[NH2+])c1cccc(Br)c1 ZINC000306899977 344718304 /nfs/dbraw/zinc/71/83/04/344718304.db2.gz DZALLBDVPDUHDR-SECBINFHSA-N 1 0 256.147 2.383 10 0 CEAERO C[N@@H+](Cc1cccc2c[nH]nc21)C[C@@H]1CCc2nccn2C1 ZINC000328634041 344757496 /nfs/dbraw/zinc/75/74/96/344757496.db2.gz MKUOHZJSCLYNEK-ZDUSSCGKSA-N 1 0 295.390 2.454 10 0 CEAERO CC(C)(C)[C@H](O)C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000324601012 344754241 /nfs/dbraw/zinc/75/42/41/344754241.db2.gz IYRZAGKVZZEHBZ-QWHCGFSZSA-N 1 0 255.402 2.475 10 0 CEAERO C[N@H+](C[C@H]1CCc2nccn2C1)C[C@@](C)(O)c1ccccc1 ZINC000328628021 344756087 /nfs/dbraw/zinc/75/60/87/344756087.db2.gz GUKVZQXAUGKBDP-CRAIPNDOSA-N 1 0 299.418 2.285 10 0 CEAERO Cc1ccc([C@@H](O)C[N@@H+](C)C[C@H]2CCc3nccn3C2)cc1 ZINC000328623925 344756719 /nfs/dbraw/zinc/75/67/19/344756719.db2.gz CDMJPUBARHXIKJ-WBVHZDCISA-N 1 0 299.418 2.419 10 0 CEAERO [NH3+][C@H](Cc1ccc(Br)cc1F)[C@@H]1CCOC1 ZINC000083716481 178723159 /nfs/dbraw/zinc/72/31/59/178723159.db2.gz YHNYVKRZELDRLN-BXKDBHETSA-N 1 0 288.160 2.495 10 0 CEAERO CC[NH+](CC)CCNC(=O)[C@@H]1Cc2ccccc2N[C@H]1C ZINC000083767915 178744525 /nfs/dbraw/zinc/74/45/25/178744525.db2.gz NCXOYCXYOWRKCL-DZGCQCFKSA-N 1 0 289.423 2.117 10 0 CEAERO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[C@@H](O)C1 ZINC000380748193 344823332 /nfs/dbraw/zinc/82/33/32/344823332.db2.gz NBKAFFFQZAKSMC-MCIONIFRSA-N 1 0 283.412 2.344 10 0 CEAERO C[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2C#N)C[NH2+]1 ZINC000399022937 344856279 /nfs/dbraw/zinc/85/62/79/344856279.db2.gz IRRXWWGECBURTB-MWLCHTKSSA-N 1 0 260.297 2.019 10 0 CEAERO C[NH2+][C@@H](C)CCC[S@@](=O)c1cccc(OC)c1 ZINC000084002907 178770215 /nfs/dbraw/zinc/77/02/15/178770215.db2.gz YLWVGHAEEIVPSE-GTNSWQLSSA-N 1 0 255.383 2.191 10 0 CEAERO CC[NH2+][C@H](C[S@](=O)CCOC)c1ccc(OCC)cc1 ZINC000084036421 178776906 /nfs/dbraw/zinc/77/69/06/178776906.db2.gz INVMTMLLKXUETB-QRWLVFNGSA-N 1 0 299.436 2.131 10 0 CEAERO CCc1ccc([C@H]([NH3+])C[S@@](=O)C2CCOCC2)cc1 ZINC000084054377 178779288 /nfs/dbraw/zinc/77/92/88/178779288.db2.gz ZLFNWFNENYCAKB-BEFAXECRSA-N 1 0 281.421 2.177 10 0 CEAERO COc1ccc(C[C@@H]([NH3+])C(=O)NC2CCCCC2)cc1 ZINC000584595900 344961348 /nfs/dbraw/zinc/96/13/48/344961348.db2.gz JRQZKBNSRFVVDP-OAHLLOKOSA-N 1 0 276.380 2.014 10 0 CEAERO Cc1ccc(NC(=O)Cc2cccc3nccn32)nc1 ZINC000584605496 344963607 /nfs/dbraw/zinc/96/36/07/344963607.db2.gz QROCJJTUMQGXOF-UHFFFAOYSA-N 1 0 266.304 2.219 10 0 CEAERO Brc1ccc([C@H]2O[C@@H]3C[NH2+][C@H]2C3)cc1 ZINC000584626868 344968878 /nfs/dbraw/zinc/96/88/78/344968878.db2.gz DSVKOTGRDBKALE-GARJFASQSA-N 1 0 254.127 2.251 10 0 CEAERO CCOC(=O)[C@@H](Cc1ccccc1)[C@@]1(C)[NH2+]CCS1 ZINC000584630396 344969086 /nfs/dbraw/zinc/96/90/86/344969086.db2.gz UISQDOCJMXYKTH-HIFRSBDPSA-N 1 0 279.405 2.461 10 0 CEAERO CCOC(=O)[C@H](CC)Oc1c(C[C@@H](C)[NH3+])cccc1OC ZINC000084105973 178793009 /nfs/dbraw/zinc/79/30/09/178793009.db2.gz USHFNKYKRBVUBI-YPMHNXCESA-N 1 0 295.379 2.305 10 0 CEAERO CC[NH2+][C@@H]1c2cc(C)ccc2S(=O)(=O)[C@H]1CC ZINC000084119037 178796096 /nfs/dbraw/zinc/79/60/96/178796096.db2.gz UTYMRZKPWKKMKG-WCQYABFASA-N 1 0 253.367 2.212 10 0 CEAERO CC[NH2+][C@@H](C)c1cccc(S[C@@H](C)C(N)=O)c1 ZINC000084125359 178798792 /nfs/dbraw/zinc/79/87/92/178798792.db2.gz GPIUNJPYCLPLLW-UWVGGRQHSA-N 1 0 252.383 2.323 10 0 CEAERO C[NH2+][C@H](C)C(=O)N(C)CC12CC3CC(CC(C3)C1)C2 ZINC000054075084 362510495 /nfs/dbraw/zinc/51/04/95/362510495.db2.gz XCUVFJHUZVCWOF-UWJCENJNSA-N 1 0 264.413 2.269 10 0 CEAERO CCOC(=O)/C=C/c1ccc(NC(=O)CC(C)(C)[NH3+])cc1 ZINC000084184430 178819009 /nfs/dbraw/zinc/81/90/09/178819009.db2.gz FQNXGQOHQZWHMK-JXMROGBWSA-N 1 0 290.363 2.329 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)N[C@H]1C[C@@H]1c1ccccc1 ZINC000054309009 362526448 /nfs/dbraw/zinc/52/64/48/362526448.db2.gz QDKKKWJDIGXQKJ-CFVMTHIKSA-N 1 0 258.365 2.048 10 0 CEAERO Cc1nc(NC(=O)C[C@H]2CCC[NH2+]C2)sc1C ZINC000054308925 362526484 /nfs/dbraw/zinc/52/64/84/362526484.db2.gz IJBXZNUZWGFUPC-SNVBAGLBSA-N 1 0 253.371 2.088 10 0 CEAERO CC(=O)Nc1cc(NC(=O)C[C@@H]2CCC[NH2+]C2)ccc1C ZINC000054307469 362526651 /nfs/dbraw/zinc/52/66/51/362526651.db2.gz LBFGSNVACYCGQH-ZDUSSCGKSA-N 1 0 289.379 2.282 10 0 CEAERO COc1cccc([C@H](C)NC(=O)C[C@H]2CCC[NH2+]C2)c1 ZINC000054307555 362526669 /nfs/dbraw/zinc/52/66/69/362526669.db2.gz JQJIAGQMXIXCKQ-QWHCGFSZSA-N 1 0 276.380 2.262 10 0 CEAERO CSC[C@H](C)CNC(=O)CC1([NH3+])CCCCC1 ZINC000084187368 178821098 /nfs/dbraw/zinc/82/10/98/178821098.db2.gz XUMNNDXBUSZGBR-LLVKDONJSA-N 1 0 258.431 2.153 10 0 CEAERO CC[NH2+][C@H](c1cnn(C)c1C)c1ccc(OC)c(OC)c1 ZINC000097078294 185522691 /nfs/dbraw/zinc/52/26/91/185522691.db2.gz LIPYUTSMLLGCAE-INIZCTEOSA-N 1 0 289.379 2.445 10 0 CEAERO [NH3+]C[C@H]1CCCCC[C@H]1S(=O)(=O)c1ccccc1 ZINC000084267691 178835244 /nfs/dbraw/zinc/83/52/44/178835244.db2.gz XUKZNCNOWHVCGP-TZMCWYRMSA-N 1 0 267.394 2.368 10 0 CEAERO [NH3+][C@H]1CC[C@@H](C(=O)Nc2cccc3cccnc32)C1 ZINC000097092096 185528172 /nfs/dbraw/zinc/52/81/72/185528172.db2.gz MWCBPQZMUZJMTL-NEPJUHHUSA-N 1 0 255.321 2.301 10 0 CEAERO COC(=O)c1cc(Cl)ccc1NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000097093778 185528658 /nfs/dbraw/zinc/52/86/58/185528658.db2.gz OQBOYOIXVWXYSV-PSASIEDQSA-N 1 0 296.754 2.193 10 0 CEAERO CCc1nn(C)c(CC2=C[C@@H]([NH3+])CC2)c1Br ZINC000084297522 178848658 /nfs/dbraw/zinc/84/86/58/178848658.db2.gz ZGEBKQUZGBPUNJ-VIFPVBQESA-N 1 0 284.201 2.335 10 0 CEAERO C[NH2+][C@@](C)(C[C@@H](C)Sc1cccc(OC)c1)C(N)=O ZINC000084346533 178860637 /nfs/dbraw/zinc/86/06/37/178860637.db2.gz HISQKVRRYGRPHA-YGRLFVJLSA-N 1 0 282.409 2.029 10 0 CEAERO Cc1c([C@H]([NH3+])c2cccc3cnccc32)cnn1C ZINC000097123987 185540928 /nfs/dbraw/zinc/54/09/28/185540928.db2.gz LRCHVYCKLGQJPH-OAHLLOKOSA-N 1 0 252.321 2.325 10 0 CEAERO CCC[NH2+][C@@H]1CC[C@@H](S(=O)(=O)c2ccccc2OC)C1 ZINC000084433973 178887509 /nfs/dbraw/zinc/88/75/09/178887509.db2.gz TZTMQWCRIXPSTJ-CHWSQXEVSA-N 1 0 297.420 2.390 10 0 CEAERO Cc1ccccc1S(=O)(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000084430273 178885827 /nfs/dbraw/zinc/88/58/27/178885827.db2.gz JDODAZUXDSVQDV-RYUDHWBXSA-N 1 0 253.367 2.039 10 0 CEAERO Cc1cccc(CS(=O)(=O)[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000084430349 178885995 /nfs/dbraw/zinc/88/59/95/178885995.db2.gz AKKKMMWRRUKMJZ-KBPBESRZSA-N 1 0 267.394 2.180 10 0 CEAERO CCc1cc(C[C@@H]([NH3+])CC2CCSCC2)n(C)n1 ZINC000097276901 185576815 /nfs/dbraw/zinc/57/68/15/185576815.db2.gz BRSYBMLQBHXBQJ-LBPRGKRZSA-N 1 0 267.442 2.386 10 0 CEAERO CCn1nc(C)c(Cl)c1C[C@H]([NH3+])[C@H]1CCSC1 ZINC000097276624 185577241 /nfs/dbraw/zinc/57/72/41/185577241.db2.gz UPPFKYFGPJKVQY-UWVGGRQHSA-N 1 0 273.833 2.488 10 0 CEAERO CC[NH2+][C@H](CCc1cccc(C)c1)Cc1ncnn1C ZINC000097275627 185577269 /nfs/dbraw/zinc/57/72/69/185577269.db2.gz GNRXGHNPGDGDNR-OAHLLOKOSA-N 1 0 272.396 2.277 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H]([NH3+])[C@H]1CCOC2(CCOCC2)C1 ZINC000097310880 185583258 /nfs/dbraw/zinc/58/32/58/185583258.db2.gz QJMNMDVPVHEXOP-ZFWWWQNUSA-N 1 0 293.411 2.013 10 0 CEAERO C[NH2+][C@@H](CCSC)[C@H]1CCOC2(CCOCC2)C1 ZINC000097310983 185583419 /nfs/dbraw/zinc/58/34/19/185583419.db2.gz MTPRRRZLSQATMH-STQMWFEESA-N 1 0 273.442 2.303 10 0 CEAERO C[C@@H]1CC(OC[C@]([NH2+]C2CC2)(C(N)=O)C2CC2)C[C@@H](C)C1 ZINC000084963293 178935275 /nfs/dbraw/zinc/93/52/75/178935275.db2.gz QMLCJKIEMBANSR-NVGCLXPQSA-N 1 0 294.439 2.214 10 0 CEAERO CCN(C(=O)C[NH2+]C1C[C@@H](C)C[C@H](C)C1)C1CC1 ZINC000084975371 178937010 /nfs/dbraw/zinc/93/70/10/178937010.db2.gz QMXUADBTHXHXOI-RYUDHWBXSA-N 1 0 252.402 2.412 10 0 CEAERO [NH3+][C@@H](c1ccnnc1)[C@H]1CCOC2(CCSCC2)C1 ZINC000097340429 185587498 /nfs/dbraw/zinc/58/74/98/185587498.db2.gz SRWZLYQUIZPVCH-WCQYABFASA-N 1 0 279.409 2.169 10 0 CEAERO Cc1nc(C)c(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)o1 ZINC000173722963 232282503 /nfs/dbraw/zinc/28/25/03/232282503.db2.gz MDFHHLSQDPCOIH-CQSZACIVSA-N 1 0 287.363 2.324 10 0 CEAERO C[C@@H]1CC[C@H](NC(=O)COc2ccc(C[NH3+])cc2)C[C@@H]1C ZINC000085038888 178943758 /nfs/dbraw/zinc/94/37/58/178943758.db2.gz NXDQYIZVHCIOCY-IPYPFGDCSA-N 1 0 290.407 2.465 10 0 CEAERO CC(C)[NH2+]C[C@@H](O)Cc1cc(Br)cs1 ZINC000084993735 178941623 /nfs/dbraw/zinc/94/16/23/178941623.db2.gz YUCNPUVKYDSEKK-VIFPVBQESA-N 1 0 278.215 2.412 10 0 CEAERO CCOc1ccccc1[C@](C)(CC(=O)OC)[C@@H](C)[NH3+] ZINC000097431287 185601513 /nfs/dbraw/zinc/60/15/13/185601513.db2.gz JWFBAJZZQPURAT-IAQYHMDHSA-N 1 0 265.353 2.253 10 0 CEAERO C[C@@H]1SCCN(C(=O)C2CCC(C[NH3+])CC2)[C@H]1C ZINC000097467591 185611907 /nfs/dbraw/zinc/61/19/07/185611907.db2.gz NBRZBOGKHOWLBS-ZSVAQUKISA-N 1 0 270.442 2.104 10 0 CEAERO CCC[NH2+][C@](C)(CO)CN1CCC(C)(CC)CC1 ZINC000085212828 178977356 /nfs/dbraw/zinc/97/73/56/178977356.db2.gz KQNBZXHXJITOAB-HNNXBMFYSA-N 1 0 256.434 2.249 10 0 CEAERO CCC[NH2+][C@](C)(CO)C[C@H](C)N(CC)CC(F)(F)F ZINC000085241612 178981534 /nfs/dbraw/zinc/98/15/34/178981534.db2.gz IUBZWGMAWUQBDV-RYUDHWBXSA-N 1 0 284.366 2.400 10 0 CEAERO CC1CCC([C@@H](CC2CCOCC2)NN)([NH+](C)C)CC1 ZINC000097589751 185633401 /nfs/dbraw/zinc/63/34/01/185633401.db2.gz GEGQUJLZUWESFK-OGVSOVDVSA-N 1 0 283.460 2.146 10 0 CEAERO CCC[NH2+][C@H](CO)CN1CCC[C@H](C(C)C)CC1 ZINC000085261701 178990889 /nfs/dbraw/zinc/99/08/89/178990889.db2.gz PTARRRCVTMNRPR-GJZGRUSLSA-N 1 0 256.434 2.105 10 0 CEAERO CC[NH+](CC)CC[C@@H](Cc1ccc(F)cc1C)NN ZINC000097592066 185635024 /nfs/dbraw/zinc/63/50/24/185635024.db2.gz SKLJMAZYDCPFQJ-HNNXBMFYSA-N 1 0 267.392 2.240 10 0 CEAERO CC[NH2+][C@](CO)(COc1ccc(F)cc1F)C1CC1 ZINC000085283001 179000651 /nfs/dbraw/zinc/00/06/51/179000651.db2.gz JMUBQWKFBQVFGX-CQSZACIVSA-N 1 0 271.307 2.094 10 0 CEAERO Cc1cccc(C)c1OCC[C@@H](CO)[NH2+]C(C)C ZINC000085283212 179000957 /nfs/dbraw/zinc/00/09/57/179000957.db2.gz IEOUXSPNUGIYNF-AWEZNQCLSA-N 1 0 251.370 2.431 10 0 CEAERO CCC[NH2+][C@H](CO)COc1ccccc1C(F)(F)F ZINC000085282950 179001066 /nfs/dbraw/zinc/00/10/66/179001066.db2.gz HUYZQENEHIFRTI-SNVBAGLBSA-N 1 0 277.286 2.445 10 0 CEAERO CCOc1ccc(OC[C@](C)(CO)[NH2+]C(C)C)cc1 ZINC000085283357 179001761 /nfs/dbraw/zinc/00/17/61/179001761.db2.gz BUJUYOHNDULRNK-HNNXBMFYSA-N 1 0 267.369 2.213 10 0 CEAERO C[NH2+][C@](C)(CO)COc1ccc(C(C)(C)C)cc1 ZINC000085284320 179002106 /nfs/dbraw/zinc/00/21/06/179002106.db2.gz IVGQXVBFWZXDJY-OAHLLOKOSA-N 1 0 251.370 2.333 10 0 CEAERO C[C@H](C[C@@](C)(CO)[NH2+]C1CC1)Oc1ccccc1F ZINC000085284447 179002350 /nfs/dbraw/zinc/00/23/50/179002350.db2.gz IJFOBSZKVCGLLD-ABAIWWIYSA-N 1 0 267.344 2.486 10 0 CEAERO Cc1ccnn1CCCC[C@](C)(CO)[NH2+]C(C)C ZINC000085264756 178995343 /nfs/dbraw/zinc/99/53/43/178995343.db2.gz QCAXYDQUZQTVHI-CQSZACIVSA-N 1 0 253.390 2.111 10 0 CEAERO C[C@@](CO)(CCOc1cccc(F)c1F)[NH2+]C1CC1 ZINC000085266343 178996906 /nfs/dbraw/zinc/99/69/06/178996906.db2.gz SOSLJFGTKRUEMR-AWEZNQCLSA-N 1 0 271.307 2.237 10 0 CEAERO CCCCOCCOCCC[C@@](C)(CO)[NH2+]CCC ZINC000085267891 178997320 /nfs/dbraw/zinc/99/73/20/178997320.db2.gz OBQCMANPUFTSJX-HNNXBMFYSA-N 1 0 275.433 2.351 10 0 CEAERO CCCOc1ccccc1OC[C@@](C)(CO)[NH2+]CC ZINC000085269847 178998234 /nfs/dbraw/zinc/99/82/34/178998234.db2.gz WFXVJQHSSYKLNA-OAHLLOKOSA-N 1 0 267.369 2.215 10 0 CEAERO CC[NH+](CC)CC[C@H](Cc1cc(C)cc(C)c1)NN ZINC000097591787 185634926 /nfs/dbraw/zinc/63/49/26/185634926.db2.gz IPRJAYBDZHDYKB-MRXNPFEDSA-N 1 0 263.429 2.410 10 0 CEAERO COc1ccc(OCC[C@](C)(CO)[NH2+]C(C)C)cc1 ZINC000085285661 179003384 /nfs/dbraw/zinc/00/33/84/179003384.db2.gz OUWHWWWRGMORKC-OAHLLOKOSA-N 1 0 267.369 2.213 10 0 CEAERO C[NH2+][C@](C)(CO)C[C@H](C)Oc1ccc(F)c(F)c1 ZINC000085286746 179004269 /nfs/dbraw/zinc/00/42/69/179004269.db2.gz UTPAFJUMUDYFRE-ZANVPECISA-N 1 0 259.296 2.093 10 0 CEAERO C[C@@]([NH3+])(CO)CCCCOc1ccc(F)c(F)c1 ZINC000085286817 179004669 /nfs/dbraw/zinc/00/46/69/179004669.db2.gz YQRYEOYVASDROG-ZDUSSCGKSA-N 1 0 259.296 2.224 10 0 CEAERO CC[NH2+][C@@](C)(CO)C[C@@H](C)Sc1nccc(C)n1 ZINC000085287889 179005455 /nfs/dbraw/zinc/00/54/55/179005455.db2.gz YNCKYFGZVHINKK-DGCLKSJQSA-N 1 0 269.414 2.016 10 0 CEAERO Cc1cccc(CSC[C@@]([NH3+])(CO)C2CC2)c1 ZINC000085289026 179005506 /nfs/dbraw/zinc/00/55/06/179005506.db2.gz WFFUYRLIZQNMTH-AWEZNQCLSA-N 1 0 251.395 2.328 10 0 CEAERO C[C@@](CO)(CCCCSc1cnccn1)[NH2+]C1CC1 ZINC000085289595 179005756 /nfs/dbraw/zinc/00/57/56/179005756.db2.gz YZWMEBFOEMVQGN-AWEZNQCLSA-N 1 0 281.425 2.242 10 0 CEAERO CC(C)[NH2+]C[C@H]1CCCN(c2ncncc2Cl)C1 ZINC000097848133 136523243 /nfs/dbraw/zinc/52/32/43/136523243.db2.gz MPOIOSPHUFBYSL-LLVKDONJSA-N 1 0 268.792 2.344 10 0 CEAERO C[NH2+][C@](CO)(CSc1ccc(OC)cc1)C1CC1 ZINC000085291959 179007727 /nfs/dbraw/zinc/00/77/27/179007727.db2.gz NMTCMOLPTVLVBP-CQSZACIVSA-N 1 0 267.394 2.148 10 0 CEAERO C[C@]([NH3+])(CO)CCCSc1nc2ccccc2o1 ZINC000085292448 179007856 /nfs/dbraw/zinc/00/78/56/179007856.db2.gz GIHWILXJTSLLBY-CYBMUJFWSA-N 1 0 266.366 2.410 10 0 CEAERO C[C@@H](C[C@](C)([NH3+])CO)Sc1ncnc2ccccc21 ZINC000085297223 179008353 /nfs/dbraw/zinc/00/83/53/179008353.db2.gz JJMXHMJRXQMNHV-HZMBPMFUSA-N 1 0 277.393 2.210 10 0 CEAERO CC[NH2+][C@](C)(CO)CSc1ncnc2ccccc21 ZINC000085297270 179008609 /nfs/dbraw/zinc/00/86/09/179008609.db2.gz IWOHVWUWGYHLQM-CQSZACIVSA-N 1 0 277.393 2.082 10 0 CEAERO CCc1nc2ccccc2n1[C@H](C)C[C@@](C)(O)C[NH3+] ZINC000085304540 179012106 /nfs/dbraw/zinc/01/21/06/179012106.db2.gz KDSXEKGFWZTMEV-IAQYHMDHSA-N 1 0 261.369 2.260 10 0 CEAERO CCOc1ccc(OCCCC[C@@](C)(O)C[NH3+])cc1 ZINC000085306509 179012576 /nfs/dbraw/zinc/01/25/76/179012576.db2.gz YPWNRNDBDKUJRT-OAHLLOKOSA-N 1 0 267.369 2.344 10 0 CEAERO Cc1cc(C(C)(C)C)ccc1OCC[C@@H](O)C[NH3+] ZINC000085307565 179012681 /nfs/dbraw/zinc/01/26/81/179012681.db2.gz HFJGEGMIJMBJPK-CYBMUJFWSA-N 1 0 251.370 2.381 10 0 CEAERO COc1ccc(S[C@H](C)C[C@](C)(O)C[NH3+])cc1 ZINC000085308568 179013073 /nfs/dbraw/zinc/01/30/73/179013073.db2.gz VFFOBMLOCPYEMF-MFKMUULPSA-N 1 0 255.383 2.276 10 0 CEAERO COc1cccc(SCCC[C@](C)(O)C[NH3+])c1 ZINC000085308337 179013298 /nfs/dbraw/zinc/01/32/98/179013298.db2.gz DVJKHOVVSHIMBF-ZDUSSCGKSA-N 1 0 255.383 2.277 10 0 CEAERO C[C@H](C[NH3+])SCc1nc(-c2cccs2)no1 ZINC000085308603 179013434 /nfs/dbraw/zinc/01/34/34/179013434.db2.gz GTRNWZCKEDPBPW-SSDOTTSWSA-N 1 0 255.368 2.379 10 0 CEAERO COc1ccccc1SCCC[C@@](C)(O)C[NH3+] ZINC000085320465 179014180 /nfs/dbraw/zinc/01/41/80/179014180.db2.gz WNIPVZFEJFVRTA-CYBMUJFWSA-N 1 0 255.383 2.277 10 0 CEAERO COc1cc2nc([C@H]3CCC[C@H]3[NH3+])[nH]c2cc1OC ZINC000085321820 179015302 /nfs/dbraw/zinc/01/53/02/179015302.db2.gz HSKUYWHJOOPEPZ-DTWKUNHWSA-N 1 0 261.325 2.175 10 0 CEAERO CCc1nn(C)c(CSC[C@@H](C)C[NH3+])c1Cl ZINC000085336569 179023851 /nfs/dbraw/zinc/02/38/51/179023851.db2.gz WMIDRVJOCIMJJZ-QMMMGPOBSA-N 1 0 261.822 2.464 10 0 CEAERO COc1cccc(COC(=O)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000085330980 179020631 /nfs/dbraw/zinc/02/06/31/179020631.db2.gz SMZYFGCXOZQBJZ-ZIAGYGMSSA-N 1 0 263.337 2.256 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)OCc1ccccc1F ZINC000085331259 179020818 /nfs/dbraw/zinc/02/08/18/179020818.db2.gz KMYBWRFUTWKKHY-YPMHNXCESA-N 1 0 251.301 2.386 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)Nc1cc(F)ccc1F ZINC000085355914 179030359 /nfs/dbraw/zinc/03/03/59/179030359.db2.gz MJNIEQVBLFCXGA-GXSJLCMTSA-N 1 0 254.280 2.421 10 0 CEAERO CC(=O)Nc1ccc(C)c(NC(=O)[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000085359603 179031812 /nfs/dbraw/zinc/03/18/12/179031812.db2.gz QGPBVLWREPMSJF-CHWSQXEVSA-N 1 0 275.352 2.019 10 0 CEAERO CC(=O)Nc1ccc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])cc1C ZINC000085359890 179032515 /nfs/dbraw/zinc/03/25/15/179032515.db2.gz YAZDGIOUSUUTSV-STQMWFEESA-N 1 0 275.352 2.019 10 0 CEAERO C[C@@H](NC(=O)[C@H]1CCCC[C@@H]1[NH3+])c1ccc2c(c1)OCO2 ZINC000085361480 179032819 /nfs/dbraw/zinc/03/28/19/179032819.db2.gz VHWHYSSAFUXVFI-WXHSDQCUSA-N 1 0 290.363 2.110 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)Nc1ccccc1N1CCCC1 ZINC000085360954 179032865 /nfs/dbraw/zinc/03/28/65/179032865.db2.gz AUNVGZGAVPLDAD-STQMWFEESA-N 1 0 273.380 2.353 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000085361151 179033020 /nfs/dbraw/zinc/03/30/20/179033020.db2.gz JFNIBPBOTQMACB-CBAPKCEASA-N 1 0 282.727 2.135 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000085361498 179033701 /nfs/dbraw/zinc/03/37/01/179033701.db2.gz STOCVTCQSIOLGH-UONOGXRCSA-N 1 0 288.395 2.138 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)NCCCc1ccccc1 ZINC000085365244 179036037 /nfs/dbraw/zinc/03/60/37/179036037.db2.gz WCYKKUOHYQIRBR-CABCVRRESA-N 1 0 260.381 2.253 10 0 CEAERO CCOc1cc(NC(=O)[C@H]2CCC[C@H]2[NH3+])ccc1OC ZINC000085364397 179035448 /nfs/dbraw/zinc/03/54/48/179035448.db2.gz XJTJAYBYKAUXDK-NWDGAFQWSA-N 1 0 278.352 2.160 10 0 CEAERO COC(=O)c1cc(F)ccc1NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085364888 179036092 /nfs/dbraw/zinc/03/60/92/179036092.db2.gz FZSIVPGEOQFWAC-JQWIXIFHSA-N 1 0 294.326 2.068 10 0 CEAERO CC[C@@H]([NH3+])CSCc1c(Br)c(C)nn1C ZINC000085348716 179029460 /nfs/dbraw/zinc/02/94/60/179029460.db2.gz UDBZMTQNJSZJHY-MRVPVSSYSA-N 1 0 292.246 2.462 10 0 CEAERO CCOc1ccc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])c(C)c1 ZINC000085366172 179036972 /nfs/dbraw/zinc/03/69/72/179036972.db2.gz NVAURSHGMORXQY-CHWSQXEVSA-N 1 0 262.353 2.460 10 0 CEAERO CC(C)CN(CC(F)(F)F)C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085368516 179038203 /nfs/dbraw/zinc/03/82/03/179038203.db2.gz XRLGDXJNDRRKAV-NXEZZACHSA-N 1 0 266.307 2.161 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)N(Cc1cccs1)C1CC1 ZINC000085368032 179038245 /nfs/dbraw/zinc/03/82/45/179038245.db2.gz RNTZNAIQTNTZFN-CHWSQXEVSA-N 1 0 264.394 2.367 10 0 CEAERO CN(CCOc1cccc(F)c1)C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085368770 179038460 /nfs/dbraw/zinc/03/84/60/179038460.db2.gz WBFAZESVZVYYKD-CABCVRRESA-N 1 0 294.370 2.180 10 0 CEAERO CCOc1ccc(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])cc1CO ZINC000085369566 179039157 /nfs/dbraw/zinc/03/91/57/179039157.db2.gz FMKWEBKADDJBGL-ZIAGYGMSSA-N 1 0 292.379 2.034 10 0 CEAERO CCN(C(=O)[C@@H]1CCC[C@@H]1[NH3+])[C@@H](C)c1cccc(O)c1 ZINC000085369520 179039407 /nfs/dbraw/zinc/03/94/07/179039407.db2.gz UOMWDWPMKNCYBZ-GLQYFDAESA-N 1 0 276.380 2.429 10 0 CEAERO COc1ccc([C@H](C)NC(=O)[C@@H]2CCC[C@@H]2[NH3+])cc1OC ZINC000085370528 179040606 /nfs/dbraw/zinc/04/06/06/179040606.db2.gz UKCJAZLHEPSNJW-UHTWSYAYSA-N 1 0 292.379 2.008 10 0 CEAERO C[C@@H](CCc1ccco1)NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085370888 179041198 /nfs/dbraw/zinc/04/11/98/179041198.db2.gz JMVSYIFWPHJBGG-YUTCNCBUSA-N 1 0 264.369 2.234 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)NCCc1c[nH]c2ccccc12 ZINC000085371650 179041745 /nfs/dbraw/zinc/04/17/45/179041745.db2.gz ACYMANWFCAXGHO-GJZGRUSLSA-N 1 0 285.391 2.344 10 0 CEAERO CCCOC(=O)c1ccc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000085371486 179041835 /nfs/dbraw/zinc/04/18/35/179041835.db2.gz LSIRVNGQOHJPQQ-ZIAGYGMSSA-N 1 0 290.363 2.319 10 0 CEAERO COc1cc(F)ccc1NC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085372750 179042165 /nfs/dbraw/zinc/04/21/65/179042165.db2.gz NMOWIJCVXMOFGL-GHMZBOCLSA-N 1 0 266.316 2.290 10 0 CEAERO COc1ccc(NC(=O)[C@H]2CCCC[C@H]2[NH3+])c(C)c1 ZINC000085374493 179043501 /nfs/dbraw/zinc/04/35/01/179043501.db2.gz RDWXAPXVHQJSME-QWHCGFSZSA-N 1 0 262.353 2.460 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000085374547 179043576 /nfs/dbraw/zinc/04/35/76/179043576.db2.gz WBSOIUSIOPCBGD-VXGBXAGGSA-N 1 0 286.297 2.449 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)N(CC1CC1)CC1CC1 ZINC000085375921 179043861 /nfs/dbraw/zinc/04/38/61/179043861.db2.gz LEDNLNDSCPNWEU-KGLIPLIRSA-N 1 0 250.386 2.153 10 0 CEAERO FC(F)(F)CN(CC1CCOCC1)C1CC[NH2+]CC1 ZINC000085402695 179052461 /nfs/dbraw/zinc/05/24/61/179052461.db2.gz RMWJCTGJQVDFIU-UHFFFAOYSA-N 1 0 280.334 2.029 10 0 CEAERO CNC(=O)CC[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000085433872 179060876 /nfs/dbraw/zinc/06/08/76/179060876.db2.gz WJEKMAXAAPPQLY-SECBINFHSA-N 1 0 263.366 2.083 10 0 CEAERO CC1CCC(CC[NH2+]Cc2cnn(CCO)c2)CC1 ZINC000085434125 179060978 /nfs/dbraw/zinc/06/09/78/179060978.db2.gz BYZLKKAENNJXOO-UHFFFAOYSA-N 1 0 265.401 2.181 10 0 CEAERO CC(C)C[C@@H]1CN(Cc2ccn(C(C)C)n2)CC[NH2+]1 ZINC000085435065 179061364 /nfs/dbraw/zinc/06/13/64/179061364.db2.gz KASWZWRSEBKNRQ-OAHLLOKOSA-N 1 0 264.417 2.284 10 0 CEAERO C[C@H](OCc1[nH+]c(NN)ccc1Cl)C(F)(F)F ZINC000085423054 179059427 /nfs/dbraw/zinc/05/94/27/179059427.db2.gz BDSJWPOIUWCLHD-YFKPBYRVSA-N 1 0 269.654 2.488 10 0 CEAERO c1cncc(CC[N@@H+]2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000178039196 542248644 /nfs/dbraw/zinc/24/86/44/542248644.db2.gz ZXHKPYHTKWWSSP-MRXNPFEDSA-N 1 0 269.348 2.172 10 0 CEAERO CCC[C@H]1CN([C@@H]2CCOC2)C(CC)(CC)C[NH2+]1 ZINC000085466216 179071535 /nfs/dbraw/zinc/07/15/35/179071535.db2.gz OEPVRGWFWLWJTB-UONOGXRCSA-N 1 0 254.418 2.408 10 0 CEAERO CCC[C@@H]1C[N@H+](C[C@@H]2CCOC2)[C@@](C)(C2CC2)CN1 ZINC000085466472 179072040 /nfs/dbraw/zinc/07/20/40/179072040.db2.gz PEMUUFHBHPVLIL-NUEKZKHPSA-N 1 0 266.429 2.266 10 0 CEAERO CCOCCN1C[C@@H](C(C)C)[NH2+]C[C@@H]1C(C)(C)C ZINC000085467217 179072326 /nfs/dbraw/zinc/07/23/26/179072326.db2.gz XVOARMYUPBMKJY-UONOGXRCSA-N 1 0 256.434 2.367 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@H](C(C)C)CN1C[C@@H]1CCCO1 ZINC000085467888 179073296 /nfs/dbraw/zinc/07/32/96/179073296.db2.gz NHMPYYLJXSXNRW-KKUMJFAQSA-N 1 0 254.418 2.264 10 0 CEAERO CCc1ccc([C@@H](C)[NH2+]CC(=O)NC2CCOCC2)cc1 ZINC000062768600 362723008 /nfs/dbraw/zinc/72/30/08/362723008.db2.gz KZFYICIQCDDQJP-CYBMUJFWSA-N 1 0 290.407 2.195 10 0 CEAERO CCC[C@@H]1C[NH2+][C@H](C(C)C)CN1Cc1cnn(C)c1 ZINC000085450887 179065400 /nfs/dbraw/zinc/06/54/00/179065400.db2.gz KLXCNNAHGNSUSS-CABCVRRESA-N 1 0 264.417 2.019 10 0 CEAERO CC[C@@]1(C)C[NH2+]CCN1Cc1ccc(OC)c(F)c1 ZINC000085452071 179065836 /nfs/dbraw/zinc/06/58/36/179065836.db2.gz BFWWWZWVHPZMNJ-HNNXBMFYSA-N 1 0 266.360 2.408 10 0 CEAERO COc1ccc(CN2CC[NH2+]C[C@@]2(C)C2CC2)cc1 ZINC000085452587 179065886 /nfs/dbraw/zinc/06/58/86/179065886.db2.gz MXVHMRLDAHBOEU-INIZCTEOSA-N 1 0 260.381 2.269 10 0 CEAERO CC(C)CCOCCN1CC[NH2+]C[C@H]1C(C)(C)C ZINC000085451528 179066054 /nfs/dbraw/zinc/06/60/54/179066054.db2.gz CMJFXPUQYRQRRK-AWEZNQCLSA-N 1 0 256.434 2.369 10 0 CEAERO COc1ccc(CN2C[C@H](C)[NH2+]CC2(C)C)cc1F ZINC000085454043 179067182 /nfs/dbraw/zinc/06/71/82/179067182.db2.gz SGKMNRZYRMTDTP-NSHDSACASA-N 1 0 266.360 2.407 10 0 CEAERO CCC[C@H]1C[NH2+][C@H](CC)CN1CCOCC(F)(F)F ZINC000085472589 179077334 /nfs/dbraw/zinc/07/73/34/179077334.db2.gz SBRGGWRZYTTXEY-NEPJUHHUSA-N 1 0 282.350 2.418 10 0 CEAERO CC[C@H](C)[C@@H]1CN[C@@H](CC)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085473102 179077830 /nfs/dbraw/zinc/07/78/30/179077830.db2.gz NHEKYNJQWXQPOV-AJNGGQMLSA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@@H]1C[N@H+](CC2CCOCC2)[C@@](C)(C2CC2)CN1 ZINC000085475140 179078662 /nfs/dbraw/zinc/07/86/62/179078662.db2.gz CXOCDJIEUIZMGY-HZPDHXFCSA-N 1 0 266.429 2.266 10 0 CEAERO CCn1cc(CN2C[C@H](C(C)(C)C)[NH2+]C[C@@H]2C)cn1 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CC(C)n1ccc(CN2C[C@@](C)(C3CC3)[NH2+]C[C@@H]2C)n1 ZINC000085509415 179085415 /nfs/dbraw/zinc/08/54/15/179085415.db2.gz NMFFELBEPWNARJ-BBRMVZONSA-N 1 0 276.428 2.426 10 0 CEAERO CCC[C@H]1CN[C@@](C)(C2CC2)C[N@@H+]1CCCOC ZINC000085511164 179085740 /nfs/dbraw/zinc/08/57/40/179085740.db2.gz TXXZRZOBGCLTKX-LSDHHAIUSA-N 1 0 254.418 2.266 10 0 CEAERO C[C@@]1(C2CC2)C[N@H+](CC2CCOCC2)[C@H](C2CC2)CN1 ZINC000085513769 179086328 /nfs/dbraw/zinc/08/63/28/179086328.db2.gz PUVAWMATAMFVPO-IRXDYDNUSA-N 1 0 278.440 2.266 10 0 CEAERO CC(C)(C)[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1ncccn1 ZINC000085513912 179086962 /nfs/dbraw/zinc/08/69/62/179086962.db2.gz AEQVZRSWPIFHSV-WMLDXEAASA-N 1 0 288.439 2.465 10 0 CEAERO CCC1(CC)C[N@H+](CCCOC)[C@@H](C2CC2)CN1 ZINC000085518996 179088153 /nfs/dbraw/zinc/08/81/53/179088153.db2.gz DTHGUUSBPORFAT-CQSZACIVSA-N 1 0 254.418 2.266 10 0 CEAERO C[C@@H]1CN[C@@H](c2ccccc2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085504888 179084071 /nfs/dbraw/zinc/08/40/71/179084071.db2.gz NSOUFXSXWUXIBW-IJEWVQPXSA-N 1 0 260.381 2.058 10 0 CEAERO c1ccc(CN2C[C@H](C3CC3)[NH2+]C[C@@H]2C2CC2)nc1 ZINC000085526319 179089229 /nfs/dbraw/zinc/08/92/29/179089229.db2.gz GYSDQWOXQFGFNJ-HZPDHXFCSA-N 1 0 257.381 2.044 10 0 CEAERO CC(C)C[C@H]1CN[C@H](C2CC2)C[N@@H+]1CCCn1ccnc1 ZINC000085525549 179089321 /nfs/dbraw/zinc/08/93/21/179089321.db2.gz NVGUQLIITIVEPX-IRXDYDNUSA-N 1 0 290.455 2.372 10 0 CEAERO CC(C)C[C@H]1CN[C@H](C2CC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085525992 179089422 /nfs/dbraw/zinc/08/94/22/179089422.db2.gz HWENSUTYUPZXRA-BPUTZDHNSA-N 1 0 266.429 2.121 10 0 CEAERO COCCN1C[C@H](C2CC2)[NH2+]C[C@@H]1c1ccccc1 ZINC000085527293 179089907 /nfs/dbraw/zinc/08/99/07/179089907.db2.gz SUQBAPUDBKYJPH-HZPDHXFCSA-N 1 0 260.381 2.058 10 0 CEAERO CC[C@]1(C)CN[C@@H](C2CC2)C[N@@H+]1CCCn1ccnc1 ZINC000085528186 179090886 /nfs/dbraw/zinc/09/08/86/179090886.db2.gz NWEAVQMYAXQLIE-HZPDHXFCSA-N 1 0 276.428 2.126 10 0 CEAERO C[C@H]1CN[C@H](C2CCCCC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085529753 179091850 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ZINC000063002195 362741213 /nfs/dbraw/zinc/74/12/13/362741213.db2.gz MJFONJPBMDTOLK-HOTGVXAUSA-N 1 0 262.397 2.184 10 0 CEAERO C[C@@H]1CC[NH2+][C@@H](C2CC2)CN1Cc1cn2ccccc2n1 ZINC000085626975 179106996 /nfs/dbraw/zinc/10/69/96/179106996.db2.gz MVMRUIGOEOLGKX-CZUORRHYSA-N 1 0 284.407 2.297 10 0 CEAERO CCCc1nc2c(n1[C@H](C)COCC)CC[NH2+]C2 ZINC000085572860 179098050 /nfs/dbraw/zinc/09/80/50/179098050.db2.gz VSPQTRPWDPGHLM-LLVKDONJSA-N 1 0 251.374 2.079 10 0 CEAERO CCOC[C@H](C)n1c(CC(C)C)nc2c1CC[NH2+]C2 ZINC000085572850 179098615 /nfs/dbraw/zinc/09/86/15/179098615.db2.gz JEUJCXFHSMYBAT-LBPRGKRZSA-N 1 0 265.401 2.325 10 0 CEAERO CCOCCn1c2c(nc1C1CCCC1)C[NH2+]CC2 ZINC000085575289 179099664 /nfs/dbraw/zinc/09/96/64/179099664.db2.gz SDWAEVXEGWWMLB-UHFFFAOYSA-N 1 0 263.385 2.223 10 0 CEAERO c1ccc(-c2nc3c(n2C[C@@H]2CCOC2)CC[NH2+]C3)cc1 ZINC000085606615 179100193 /nfs/dbraw/zinc/10/01/93/179100193.db2.gz QBIJFXRIISBMEN-ZDUSSCGKSA-N 1 0 283.375 2.232 10 0 CEAERO CCCCOC[C@@H](O)C[N@@H+]1CCC[C@H](CSC)C1 ZINC000336795461 365818350 /nfs/dbraw/zinc/81/83/50/365818350.db2.gz KTTSLKGSPNPFKG-KBPBESRZSA-N 1 0 275.458 2.239 10 0 CEAERO CC[C@@]1(C)C[N@@H+]([C@@H]2CCC[C@H](OC)C2)CCCN1 ZINC000085617097 179103556 /nfs/dbraw/zinc/10/35/56/179103556.db2.gz JUDQUOUDYVWNBW-ILXRZTDVSA-N 1 0 254.418 2.408 10 0 CEAERO COc1ccc(CN2CCC[NH2+][C@@H](C3CC3)C2)cc1 ZINC000085616492 179103833 /nfs/dbraw/zinc/10/38/33/179103833.db2.gz ZPNBMDDGZAUWKU-MRXNPFEDSA-N 1 0 260.381 2.269 10 0 CEAERO COc1c(C)cnc(CN2C[C@@H](C)[NH2+]CC[C@@H]2C)c1C ZINC000085619919 179105689 /nfs/dbraw/zinc/10/56/89/179105689.db2.gz NUOLWGJIKUNPMQ-OLZOCXBDSA-N 1 0 277.412 2.279 10 0 CEAERO C[C@H]1CC[NH2+][C@@](C)(C2CC2)CN1CCOCC(F)(F)F ZINC000085623547 179105956 /nfs/dbraw/zinc/10/59/56/179105956.db2.gz HPAURNDOPBTQNW-WCQYABFASA-N 1 0 294.361 2.418 10 0 CEAERO C[C@H]1CC[NH2+]C2(CCCCC2)CN1Cc1cnn(C)c1 ZINC000085621186 179105993 /nfs/dbraw/zinc/10/59/93/179105993.db2.gz CJEOEBYTNBFCHE-AWEZNQCLSA-N 1 0 276.428 2.307 10 0 CEAERO Cc1cnc(C)c(N2CCC([C@@H]3CCC[NH2+]3)CC2)n1 ZINC000063201177 362761190 /nfs/dbraw/zinc/76/11/90/362761190.db2.gz ZFIDUBHVQYGYME-AWEZNQCLSA-N 1 0 260.385 2.062 10 0 CEAERO COCC[N@H+](C)CCn1c(C(C)C)c[nH]c1=S ZINC000085668149 179110320 /nfs/dbraw/zinc/11/03/20/179110320.db2.gz MNWGUHINUQVLHQ-UHFFFAOYSA-N 1 0 257.403 2.247 10 0 CEAERO CC(C)[C@@H](C[NH2+][C@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N(C)C ZINC000085671495 179110889 /nfs/dbraw/zinc/11/08/89/179110889.db2.gz MUCHKUVUHSVGLK-XGUBFFRZSA-N 1 0 268.445 2.366 10 0 CEAERO Cc1cc(C[NH2+][C@H]2[C@@H]3CCCO[C@@H]3C2(C)C)no1 ZINC000085675830 179112611 /nfs/dbraw/zinc/11/26/11/179112611.db2.gz OVSMLHXLSBIZHN-AVGNSLFASA-N 1 0 250.342 2.276 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+][C@@H](C)CN2CCOCC2)C12CCCC2 ZINC000085679349 179113221 /nfs/dbraw/zinc/11/32/21/179113221.db2.gz XFJMCCUXODCMJD-XHSDSOJGSA-N 1 0 296.455 2.035 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+]CCN(C)C2CC2)C12CCCC2 ZINC000085681244 179113909 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/nfs/dbraw/zinc/83/11/24/365831124.db2.gz NLKSNOOCMBGEHD-UHFFFAOYSA-N 1 0 280.799 2.377 10 0 CEAERO CCC[NH2+]CC(=O)Nc1ccc(Br)c(C)n1 ZINC000085729092 179131716 /nfs/dbraw/zinc/13/17/16/179131716.db2.gz ZWBVAZOCMRAKRU-UHFFFAOYSA-N 1 0 286.173 2.091 10 0 CEAERO Cc1nc(NC(=O)CC(C)(C)[NH3+])ccc1Br ZINC000085729061 179131930 /nfs/dbraw/zinc/13/19/30/179131930.db2.gz KKQATDKHFPLYQM-UHFFFAOYSA-N 1 0 286.173 2.218 10 0 CEAERO C[C@H]([NH2+][C@H](CN(C)C)c1ccccc1)[C@@H]1CCCO1 ZINC000336816843 365858931 /nfs/dbraw/zinc/85/89/31/365858931.db2.gz NOMNIVKBFYYXBO-IMJJTQAJSA-N 1 0 262.397 2.446 10 0 CEAERO CCCC(=O)N[C@H]1CCCN(c2cc[nH+]c(C)c2)C1 ZINC000274362431 136628463 /nfs/dbraw/zinc/62/84/63/136628463.db2.gz NTOXVGSLCWXWGY-ZDUSSCGKSA-N 1 0 261.369 2.275 10 0 CEAERO CCCn1c2ccc(C)cc2nc1[C@]1([NH3+])CCOC1 ZINC000085849440 179187565 /nfs/dbraw/zinc/18/75/65/179187565.db2.gz PVCYBISRLGZFSP-HNNXBMFYSA-N 1 0 259.353 2.329 10 0 CEAERO [NH3+]CC[C@@H]1CCCN(c2ncnc3sccc32)C1 ZINC000070074048 136708233 /nfs/dbraw/zinc/70/82/33/136708233.db2.gz CNVRCKUZJISWCM-JTQLQIEISA-N 1 0 262.382 2.257 10 0 CEAERO Cc1cc(C(=O)NC[C@@H]2CCCC[C@@H]2[NH3+])ccc1F ZINC000085964845 179205526 /nfs/dbraw/zinc/20/55/26/179205526.db2.gz MZVNMAMDHFLVPY-JSGCOSHPSA-N 1 0 264.344 2.381 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1CNC(=O)CCOc1ccccc1 ZINC000085964514 179205613 /nfs/dbraw/zinc/20/56/13/179205613.db2.gz LXGDAPJKSQNLEC-ZFWWWQNUSA-N 1 0 276.380 2.089 10 0 CEAERO Cc1ccc(CC(=O)NC[C@@H]2CCCC[C@@H]2[NH3+])cc1C ZINC000085966895 179206183 /nfs/dbraw/zinc/20/61/83/179206183.db2.gz NXDCVOMWSALOFN-HOTGVXAUSA-N 1 0 274.408 2.480 10 0 CEAERO CC[C@]1(C)C[C@@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)CCO1 ZINC000085973718 179207427 /nfs/dbraw/zinc/20/74/27/179207427.db2.gz AJVFSSCKRIDMSO-ZQDZILKHSA-N 1 0 255.402 2.475 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1CNc1nccc(C(F)(F)F)n1 ZINC000085975035 179208007 /nfs/dbraw/zinc/20/80/07/179208007.db2.gz AWXJZMLBTVAUAW-BDAKNGLRSA-N 1 0 274.290 2.425 10 0 CEAERO CCC[NH2+][C@H](CCO)CN(C)CC1CCCCC1 ZINC000085922196 179200860 /nfs/dbraw/zinc/20/08/60/179200860.db2.gz KADUKLVQHAIQLU-OAHLLOKOSA-N 1 0 256.434 2.249 10 0 CEAERO CC[NH2+][C@H](CCO)Cn1cnc2cc(C)c(C)cc21 ZINC000085923315 179201214 /nfs/dbraw/zinc/20/12/14/179201214.db2.gz WFDKDRVEVWYOGU-CYBMUJFWSA-N 1 0 261.369 2.014 10 0 CEAERO CCCOc1ccccc1OC[C@H](CCO)[NH2+]CC ZINC000085925044 179201412 /nfs/dbraw/zinc/20/14/12/179201412.db2.gz CZNUZDHCIZYERC-ZDUSSCGKSA-N 1 0 267.369 2.215 10 0 CEAERO CC[NH2+][C@H](CCO)CSc1ccc(NC(C)=O)cc1 ZINC000085928887 179202994 /nfs/dbraw/zinc/20/29/94/179202994.db2.gz QQPJXPFPSWQCAI-CYBMUJFWSA-N 1 0 282.409 2.098 10 0 CEAERO COC(=O)c1ccccc1C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000085977766 179208799 /nfs/dbraw/zinc/20/87/99/179208799.db2.gz XLPXFQIIALMVGH-ZFWWWQNUSA-N 1 0 277.364 2.114 10 0 CEAERO C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CCCC[C@H]2O)cc1 ZINC000085982795 179210242 /nfs/dbraw/zinc/21/02/42/179210242.db2.gz YXPAQRUNYIJLLK-HZPDHXFCSA-N 1 0 290.407 2.029 10 0 CEAERO Cc1cc(C)c(C)c([C@H]([NH3+])[C@H]2CCS(=O)(=O)C2)c1C ZINC000086019950 179217846 /nfs/dbraw/zinc/21/78/46/179217846.db2.gz QSJLASFSZAKFBG-DZGCQCFKSA-N 1 0 281.421 2.355 10 0 CEAERO CC[NH2+][C@@H]1CC[C@H](S(=O)(=O)Cc2ccccc2)[C@@H]1C ZINC000086040851 179222487 /nfs/dbraw/zinc/22/24/87/179222487.db2.gz KWOVZYNBFVIQDX-YUELXQCFSA-N 1 0 281.421 2.378 10 0 CEAERO CCC[NH2+][C@@H]1CC[C@@H](Sc2nncn2C)[C@@H]1C ZINC000086044718 179222741 /nfs/dbraw/zinc/22/27/41/179222741.db2.gz FKIJFUSFHNUTFE-GMTAPVOTSA-N 1 0 254.403 2.074 10 0 CEAERO C[C@@H]1[C@@H](C)CC[C@@H]1NC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000086076392 179226001 /nfs/dbraw/zinc/22/60/01/179226001.db2.gz BOZCWBXBZVCSRQ-CRWXNKLISA-N 1 0 252.402 2.460 10 0 CEAERO CCC[NH2+][C@@H](Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000086026241 179219848 /nfs/dbraw/zinc/21/98/48/179219848.db2.gz UAAZIXBRUBXBQB-HIFRSBDPSA-N 1 0 299.411 2.171 10 0 CEAERO CCC(CC)N1C(=O)C[C@H]([NH2+]CC2CCCC2)C1=O ZINC000102670224 185785345 /nfs/dbraw/zinc/78/53/45/185785345.db2.gz QPHHIJFOIPSNAZ-ZDUSSCGKSA-N 1 0 266.385 2.082 10 0 CEAERO CCC[C@@H]1CN(CCc2ccc(F)cc2)CC[NH2+]1 ZINC000086124043 179235326 /nfs/dbraw/zinc/23/53/26/179235326.db2.gz JOOFEZJMWRDWOE-OAHLLOKOSA-N 1 0 250.361 2.442 10 0 CEAERO CCC[C@@H]1CN(CCc2cccc(F)c2)CC[NH2+]1 ZINC000086128079 179235586 /nfs/dbraw/zinc/23/55/86/179235586.db2.gz FNUAZSZBYHWNEO-OAHLLOKOSA-N 1 0 250.361 2.442 10 0 CEAERO C[C@]1(C2CC2)CN(CCc2ccc(F)cc2)CC[NH2+]1 ZINC000086124026 179235724 /nfs/dbraw/zinc/23/57/24/179235724.db2.gz NRDIGQVXAGFLEG-MRXNPFEDSA-N 1 0 262.372 2.442 10 0 CEAERO Cc1nc(CN2CC[NH2+][C@H](C(C)(C)C)C2)cs1 ZINC000086144247 179237669 /nfs/dbraw/zinc/23/76/69/179237669.db2.gz BCCBORGBETVLIS-LBPRGKRZSA-N 1 0 253.415 2.271 10 0 CEAERO CC[C@@H](C)[C@H]1CN(Cc2cnc(C)s2)CC[NH2+]1 ZINC000086144132 179237959 /nfs/dbraw/zinc/23/79/59/179237959.db2.gz OVQJLXHPRMJZEF-ZWNOBZJWSA-N 1 0 253.415 2.271 10 0 CEAERO CC[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])CCSC)[C@@H]1C ZINC000086093978 179228778 /nfs/dbraw/zinc/22/87/78/179228778.db2.gz HGZGCNLDWDFNNR-RHYQMDGZSA-N 1 0 258.431 2.008 10 0 CEAERO CC[C@@H]1CC[C@@H]([NH2+]C2CCN(C(C)=O)CC2)[C@@H]1C ZINC000086084120 179228854 /nfs/dbraw/zinc/22/88/54/179228854.db2.gz RNBWGTUUJSUABL-UXIGCNINSA-N 1 0 252.402 2.412 10 0 CEAERO CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(OCC(N)=O)cc2)[C@@H]1C ZINC000086083714 179229087 /nfs/dbraw/zinc/22/90/87/179229087.db2.gz SUTVYQVDGQVWGB-XPKDYRNWSA-N 1 0 290.407 2.465 10 0 CEAERO C[N@H+](CCSc1ccccc1)CCC(N)=S ZINC000086099442 179229603 /nfs/dbraw/zinc/22/96/03/179229603.db2.gz GXXDYOSIVUNPHY-UHFFFAOYSA-N 1 0 254.424 2.387 10 0 CEAERO CC[C@H](C)[C@@H]1CN(CCOC2CCCC2)CC[NH2+]1 ZINC000086149492 179240727 /nfs/dbraw/zinc/24/07/27/179240727.db2.gz COTDFFAMIAKGPB-ZFWWWQNUSA-N 1 0 254.418 2.266 10 0 CEAERO CC(C)C[C@@H]1CN([C@@H]2COc3ccccc32)CC[NH2+]1 ZINC000086150110 179240854 /nfs/dbraw/zinc/24/08/54/179240854.db2.gz WBUHVVBFJTZETG-UKRRQHHQSA-N 1 0 260.381 2.440 10 0 CEAERO C[C@@H]([C@@H]1CCCO1)N1C[C@@H](Cc2ccccc2)[NH2+]C[C@@H]1C ZINC000086154138 179241653 /nfs/dbraw/zinc/24/16/53/179241653.db2.gz DIKSMFKFULSNDD-ONIAQPFYSA-N 1 0 288.435 2.459 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C(C)C)CN1CCc1ccncc1 ZINC000086171906 179242952 /nfs/dbraw/zinc/24/29/52/179242952.db2.gz HMKVVNDAXPATAQ-HOTGVXAUSA-N 1 0 261.413 2.333 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C(C)C)CN1CCc1nccs1 ZINC000086175407 179245678 /nfs/dbraw/zinc/24/56/78/179245678.db2.gz UARHDDNRDYZDCA-QWHCGFSZSA-N 1 0 267.442 2.394 10 0 CEAERO Cc1csc(CCN2C[C@@H](C)[NH2+]C[C@@H]2C(C)C)n1 ZINC000086175403 179245754 /nfs/dbraw/zinc/24/57/54/179245754.db2.gz RBKBFRQELLEXPV-DGCLKSJQSA-N 1 0 267.442 2.312 10 0 CEAERO CC[C@H](C)[C@H]1CN(Cc2ccnc(C)n2)[C@@H](CC)C[NH2+]1 ZINC000086174030 179245856 /nfs/dbraw/zinc/24/58/56/179245856.db2.gz WOEKKKVUMBDVTB-VBNZEHGJSA-N 1 0 276.428 2.384 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C)CN1C[C@@H]1Cc2ccccc2O1 ZINC000086174463 179245966 /nfs/dbraw/zinc/24/59/66/179245966.db2.gz CRWPWINPKGYWOC-YUELXQCFSA-N 1 0 260.381 2.062 10 0 CEAERO COC[C@H](C)[N@@H+]1C[C@](C)(c2ccccc2)NC[C@@H]1C ZINC000086179987 179246229 /nfs/dbraw/zinc/24/62/29/179246229.db2.gz CDOOXVNKTAXANR-OFQRWUPVSA-N 1 0 262.397 2.230 10 0 CEAERO CC[C@@H]1C[NH2+]CCN1CCc1cc(F)cc(F)c1 ZINC000086177711 179246321 /nfs/dbraw/zinc/24/63/21/179246321.db2.gz RXDNAEKUVKVYKT-CQSZACIVSA-N 1 0 254.324 2.191 10 0 CEAERO CC(C)[C@@H]1CNCC[N@@H+]1[C@@H]1CCc2ccccc2C1 ZINC000086177663 179246599 /nfs/dbraw/zinc/24/65/99/179246599.db2.gz DATGBWKNOOKLLI-SJORKVTESA-N 1 0 258.409 2.474 10 0 CEAERO COCCCC[N@@H+]1CCN[C@](C)(c2ccccc2)C1 ZINC000086145856 179238928 /nfs/dbraw/zinc/23/89/28/179238928.db2.gz QPFCOIFTILCUAY-INIZCTEOSA-N 1 0 262.397 2.234 10 0 CEAERO CC(C)(C)[C@H]1CN(Cc2ccc3c(c2)OCO3)CC[NH2+]1 ZINC000086148236 179239781 /nfs/dbraw/zinc/23/97/81/179239781.db2.gz LKXBUNULZXORMF-OAHLLOKOSA-N 1 0 276.380 2.235 10 0 CEAERO CC[C@@H]1CN(CCc2ccccn2)[C@H](C(C)C)C[NH2+]1 ZINC000086221476 179250911 /nfs/dbraw/zinc/25/09/11/179250911.db2.gz WPIFOWSAGQRZJC-ZBFHGGJFSA-N 1 0 261.413 2.333 10 0 CEAERO CC[C@@H]1CN[C@@H](CC(C)C)C[N@@H+]1C1CCOCC1 ZINC000086218860 179250983 /nfs/dbraw/zinc/25/09/83/179250983.db2.gz QCOKWMGKTLPYRN-UONOGXRCSA-N 1 0 254.418 2.264 10 0 CEAERO CC[C@@H]1CNC2(CCCC2)C[N@@H+]1C1CCOCC1 ZINC000086218824 179251262 /nfs/dbraw/zinc/25/12/62/179251262.db2.gz JOTITVBWUOLDKB-CYBMUJFWSA-N 1 0 252.402 2.162 10 0 CEAERO CC[C@@H]1CN(Cc2csc(C)n2)[C@@H](CC)C[NH2+]1 ZINC000086226983 179253031 /nfs/dbraw/zinc/25/30/31/179253031.db2.gz OLEBFVHTJSPFDE-YPMHNXCESA-N 1 0 253.415 2.414 10 0 CEAERO Cc1cnn([C@H]2CCC[N@H+](Cc3cnoc3C)C2)c1 ZINC000128555614 187377128 /nfs/dbraw/zinc/37/71/28/187377128.db2.gz DIBDFXCSTBQCMX-AWEZNQCLSA-N 1 0 260.341 2.325 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](CC(C)C)CN1c1cnn(CCOC)c1 ZINC000086227268 179254640 /nfs/dbraw/zinc/25/46/40/179254640.db2.gz OJTMQLFPKUUHPW-HUUCEWRRSA-N 1 0 294.443 2.132 10 0 CEAERO CCC1(CC)CN(Cc2cc(C)no2)[C@H](C)C[NH2+]1 ZINC000086260397 179259164 /nfs/dbraw/zinc/25/91/64/179259164.db2.gz GCFXLEXECGMRRP-GFCCVEGCSA-N 1 0 251.374 2.336 10 0 CEAERO Cc1nccc(CN2C[C@@H](c3ccccc3)[NH2+]C[C@@H]2C)n1 ZINC000086260184 179259177 /nfs/dbraw/zinc/25/91/77/179259177.db2.gz RBFDQZHOTAEWMK-GUYCJALGSA-N 1 0 282.391 2.320 10 0 CEAERO CC(C)[C@H]1CNC(C)(C)C[N@@H+]1C[C@@H]1CCCOC1 ZINC000086260108 179259326 /nfs/dbraw/zinc/25/93/26/179259326.db2.gz RKNWGEQBMUAYLL-UONOGXRCSA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@H]1CN[C@@](C)(C2CC2)C[N@@H+]1[C@@H]1CCC[C@@H]1OC ZINC000086261316 179259770 /nfs/dbraw/zinc/25/97/70/179259770.db2.gz REDORSUYUSGWAP-XUWVNRHRSA-N 1 0 266.429 2.406 10 0 CEAERO CC[C@@H]1CN[C@H](CC(C)C)C[N@@H+]1C[C@@H](C)COC ZINC000086261017 179260170 /nfs/dbraw/zinc/26/01/70/179260170.db2.gz CHGHROALERJVLC-RBSFLKMASA-N 1 0 256.434 2.367 10 0 CEAERO CC[C@@H]1CN(CCc2nccs2)[C@@H](CC)C[NH2+]1 ZINC000086264352 179260925 /nfs/dbraw/zinc/26/09/25/179260925.db2.gz OOCCALXDNNRRPS-NEPJUHHUSA-N 1 0 253.415 2.148 10 0 CEAERO C[C@H]1C[NH2+][C@@](C)(C2CC2)CN1CCc1nccs1 ZINC000086264290 179260969 /nfs/dbraw/zinc/26/09/69/179260969.db2.gz ZADRHSMQXGSXAR-SMDDNHRTSA-N 1 0 265.426 2.148 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C2CC2)CN1Cc1ccc(OC)nc1 ZINC000086263916 179261395 /nfs/dbraw/zinc/26/13/95/179261395.db2.gz NRMUZJJHPZQBJL-LSDHHAIUSA-N 1 0 275.396 2.053 10 0 CEAERO CC[C@H]1CN(CCc2ccc3c(c2)OCCO3)CCC[NH2+]1 ZINC000086269673 179261888 /nfs/dbraw/zinc/26/18/88/179261888.db2.gz MFFDPGGKXWBQEK-HNNXBMFYSA-N 1 0 290.407 2.074 10 0 CEAERO C[N@@H+]1CC[C@@H](Nc2nc(Br)cs2)C1 ZINC000086279307 179263095 /nfs/dbraw/zinc/26/30/95/179263095.db2.gz PSFPKPOPIFAUQT-ZCFIWIBFSA-N 1 0 262.176 2.022 10 0 CEAERO CC1(C)CN(CCc2ccccc2F)CCC[NH2+]1 ZINC000086285739 179263775 /nfs/dbraw/zinc/26/37/75/179263775.db2.gz CURFVGDOOZLSIC-UHFFFAOYSA-N 1 0 250.361 2.442 10 0 CEAERO C[C@@H]1CNC2(CCCC2)C[N@@H+]1CC[C@@H]1CCCO1 ZINC000086258889 179256998 /nfs/dbraw/zinc/25/69/98/179256998.db2.gz SKXBMGFMPIKRSC-KGLIPLIRSA-N 1 0 252.402 2.162 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1Nc1nc(Br)cs1 ZINC000086291027 179265789 /nfs/dbraw/zinc/26/57/89/179265789.db2.gz RNEQCLDIFWNQEP-BQBZGAKWSA-N 1 0 276.203 2.445 10 0 CEAERO Brc1csc(O[C@@H]2CCC[NH2+]C2)n1 ZINC000086291676 179266034 /nfs/dbraw/zinc/26/60/34/179266034.db2.gz PXUXKJRIRDEUMW-ZCFIWIBFSA-N 1 0 263.160 2.036 10 0 CEAERO Brc1csc(OC[C@@H]2CCC[NH2+]C2)n1 ZINC000086291687 179266545 /nfs/dbraw/zinc/26/65/45/179266545.db2.gz ASGPLKOVWMSAFQ-SSDOTTSWSA-N 1 0 277.187 2.284 10 0 CEAERO CCC1(CC)CN(Cc2cc(C)on2)CCC[NH2+]1 ZINC000086292165 179266656 /nfs/dbraw/zinc/26/66/56/179266656.db2.gz AECSKHFVYUTHQA-UHFFFAOYSA-N 1 0 251.374 2.337 10 0 CEAERO CC[C@@H]1CN(C(=O)Cc2ccc(OC)cc2)[C@H](CC)C[NH2+]1 ZINC000086447176 179296008 /nfs/dbraw/zinc/29/60/08/179296008.db2.gz RCQXXKDZAZUMGE-HUUCEWRRSA-N 1 0 290.407 2.227 10 0 CEAERO CCC[NH+]1CCN(c2nc3c(s2)CCC[C@@H]3O)CC1 ZINC000086444357 179294719 /nfs/dbraw/zinc/29/47/19/179294719.db2.gz DNWFPQFLTPDFOI-NSHDSACASA-N 1 0 281.425 2.045 10 0 CEAERO CC[C@H](C)[NH+]1CCN(c2nc3c(s2)CCC[C@@H]3O)CC1 ZINC000086444733 179295048 /nfs/dbraw/zinc/29/50/48/179295048.db2.gz YFYAWCMAUXJODR-RYUDHWBXSA-N 1 0 295.452 2.433 10 0 CEAERO CC[C@@H]1CN(C(=O)c2ccc3c[nH]nc3c2)[C@@H](CC)C[NH2+]1 ZINC000086446236 179295118 /nfs/dbraw/zinc/29/51/18/179295118.db2.gz HWQYHDKLKAWDJJ-KGLIPLIRSA-N 1 0 286.379 2.166 10 0 CEAERO CN(CCc1cccs1)[C@@]1(C[NH3+])CCSC1 ZINC000086440824 179292568 /nfs/dbraw/zinc/29/25/68/179292568.db2.gz CVQXQIQXZLWOFZ-GFCCVEGCSA-N 1 0 256.440 2.057 10 0 CEAERO C[C@@H]1CN(Cc2noc(-c3ccc(F)cc3)n2)[C@@H](C)C[NH2+]1 ZINC000086470606 179300534 /nfs/dbraw/zinc/30/05/34/179300534.db2.gz UBCCSNYKSRQBNA-MNOVXSKESA-N 1 0 290.342 2.058 10 0 CEAERO [NH3+][C@H]1COC[C@H]1c1nc2ccc(Cl)cc2s1 ZINC000086480051 179300726 /nfs/dbraw/zinc/30/07/26/179300726.db2.gz BGHOINTWAKXFPI-SFYZADRCSA-N 1 0 254.742 2.391 10 0 CEAERO CC[C@@H]1CN(CC(=O)Nc2ccc(C)cc2)[C@@H](CC)C[NH2+]1 ZINC000086464264 179296178 /nfs/dbraw/zinc/29/61/78/179296178.db2.gz YARVNFVUJNGPOU-ZBFHGGJFSA-N 1 0 289.423 2.396 10 0 CEAERO CCN1C(=[NH2+])NC[C@]1(C)c1cccc(Br)c1 ZINC000086459598 179296270 /nfs/dbraw/zinc/29/62/70/179296270.db2.gz PMRJFYBODOXHIP-GFCCVEGCSA-N 1 0 282.185 2.315 10 0 CEAERO COc1ccc([C@H](C)N2C[C@@H](C)[NH2+]C[C@@H]2C)c(OC)c1 ZINC000086466821 179297105 /nfs/dbraw/zinc/29/71/05/179297105.db2.gz VOFDLXLNJQRROZ-AGIUHOORSA-N 1 0 278.396 2.447 10 0 CEAERO CC[C@@H]1CN(Cc2ncc(Cl)n2C)[C@@H](CC)C[NH2+]1 ZINC000086464841 179297265 /nfs/dbraw/zinc/29/72/65/179297265.db2.gz KMXRJBVYXGOZPB-MNOVXSKESA-N 1 0 270.808 2.036 10 0 CEAERO Cc1cccc(NC(=O)CCCN2C[C@H](C)[NH2+]C[C@@H]2C)c1 ZINC000086469624 179299745 /nfs/dbraw/zinc/29/97/45/179299745.db2.gz CRPHOPZMLKSXGY-GJZGRUSLSA-N 1 0 289.423 2.396 10 0 CEAERO C[NH2+][C@H](COC)c1cscc1Br ZINC000086555079 179307204 /nfs/dbraw/zinc/30/72/04/179307204.db2.gz XFDSSEJVIPDKTQ-MRVPVSSYSA-N 1 0 250.161 2.418 10 0 CEAERO CC(C)c1ccc(C[C@H]([NH3+])[C@H]2CCS(=O)(=O)C2)cc1 ZINC000086566612 179308093 /nfs/dbraw/zinc/30/80/93/179308093.db2.gz OJWBXGGMGLHHPC-GJZGRUSLSA-N 1 0 281.421 2.115 10 0 CEAERO CCCC[C@H](CC)C[C@H]([NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000086566368 179308119 /nfs/dbraw/zinc/30/81/19/179308119.db2.gz JNWNFUKQGBSXMJ-XQQFMLRXSA-N 1 0 261.431 2.355 10 0 CEAERO CC(C)C1CC(C[NH2+]C(C)(C)C)(S(C)(=O)=O)C1 ZINC000086558146 179308157 /nfs/dbraw/zinc/30/81/57/179308157.db2.gz IJLIEXLNCOGFMX-UHFFFAOYSA-N 1 0 261.431 2.224 10 0 CEAERO CC(C)(C[NH3+])N1CCN(C(=O)C2CCCCCCC2)CC1 ZINC000086577565 179308528 /nfs/dbraw/zinc/30/85/28/179308528.db2.gz URYIUBVWTJGSKK-UHFFFAOYSA-N 1 0 295.471 2.228 10 0 CEAERO COCCCN(C)[C@H](C[NH3+])c1ccc(OC)c(Cl)c1 ZINC000086595113 179310850 /nfs/dbraw/zinc/31/08/50/179310850.db2.gz XUPJBILEQLDCRD-CYBMUJFWSA-N 1 0 286.803 2.317 10 0 CEAERO COC[C@H](C)N(C)[C@@H](C[NH3+])c1ccc(OC)c(Cl)c1 ZINC000086594970 179310895 /nfs/dbraw/zinc/31/08/95/179310895.db2.gz LKZKLDQXUDUOOA-GWCFXTLKSA-N 1 0 286.803 2.315 10 0 CEAERO CCC(CC)(CC)[NH2+]C[C@H](O)COCCOC(C)C ZINC000086642796 179315860 /nfs/dbraw/zinc/31/58/60/179315860.db2.gz HHHLSVUCJNCDBS-AWEZNQCLSA-N 1 0 275.433 2.347 10 0 CEAERO CC(C)Cn1c2ccc(C[NH3+])cc2nc1[C@@H]1COCCO1 ZINC000086641724 179315049 /nfs/dbraw/zinc/31/50/49/179315049.db2.gz ADRKGHQNBJZZJJ-HNNXBMFYSA-N 1 0 289.379 2.239 10 0 CEAERO C[N@@H+]1CC[C@@H](CNc2nc(Cl)ncc2Cl)C1 ZINC000086621960 179311490 /nfs/dbraw/zinc/31/14/90/179311490.db2.gz OMYLKTPQGHVPIF-ZETCQYMHSA-N 1 0 261.156 2.147 10 0 CEAERO Cc1nc(Sc2cc(C(N)=[NH2+])ccn2)nc(C)c1C ZINC000086643814 179315987 /nfs/dbraw/zinc/31/59/87/179315987.db2.gz DUFHGGUKENWSKT-UHFFFAOYSA-N 1 0 273.365 2.232 10 0 CEAERO CCCN1CCO[C@H]([C@@H](Cc2ccccc2)[NH2+]CC)C1 ZINC000086654743 179316402 /nfs/dbraw/zinc/31/64/02/179316402.db2.gz YXYSMUCYHHCKTE-SJORKVTESA-N 1 0 276.424 2.318 10 0 CEAERO Cc1nc(SCC[C@@H](CO)[NH2+]C(C)C)nc(C)c1C ZINC000086646900 179316799 /nfs/dbraw/zinc/31/67/99/179316799.db2.gz FXECCRUEIWCNMW-ZDUSSCGKSA-N 1 0 283.441 2.243 10 0 CEAERO C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCC[C@@H]1S(C)(=O)=O ZINC000086675575 179318263 /nfs/dbraw/zinc/31/82/63/179318263.db2.gz CDNUJMDLLKWANJ-RTXFEEFZSA-N 1 0 287.450 2.234 10 0 CEAERO C[C@@H]1CCC[C@H]([N@H+](C)Cc2c[nH]c(=NN)s2)C1 ZINC000086767514 179325590 /nfs/dbraw/zinc/32/55/90/179325590.db2.gz QZWAVAKLXLGLQZ-ZJUUUORDSA-N 1 0 254.403 2.439 10 0 CEAERO CC(C)(C)C[NH+]1CCC([N@@H+]2CCC[C@H]2C(=O)[O-])CC1 ZINC000086776315 179328597 /nfs/dbraw/zinc/32/85/97/179328597.db2.gz NTPOSTSGRJTAIA-ZDUSSCGKSA-N 1 0 268.401 2.046 10 0 CEAERO CCN(CCC[NH3+])c1ncc(Br)cc1C ZINC000086706933 179322372 /nfs/dbraw/zinc/32/23/72/179322372.db2.gz LYDDQKIQRAGQSZ-UHFFFAOYSA-N 1 0 272.190 2.328 10 0 CEAERO CCC1CCC(C[NH3+])(OCC(=O)N[C@H](C)C(C)C)CC1 ZINC000086713149 179322874 /nfs/dbraw/zinc/32/28/74/179322874.db2.gz FNQMYWSTIACSCF-VQCLRJIVSA-N 1 0 284.444 2.461 10 0 CEAERO CC[C@](C)([NH3+])C(=O)NCc1cc(Br)cs1 ZINC000086807270 179339109 /nfs/dbraw/zinc/33/91/09/179339109.db2.gz UUIUZGIWTDLCNW-JTQLQIEISA-N 1 0 291.214 2.254 10 0 CEAERO C[N@@H+]1CCC[C@@](CO)(Nc2cccc(F)c2)CC1 ZINC000086834322 179349316 /nfs/dbraw/zinc/34/93/16/179349316.db2.gz XEUZQWITAZLIJH-CQSZACIVSA-N 1 0 252.333 2.084 10 0 CEAERO COCCN[C@]1(c2nc(C)c(C)s2)CCC[N@H+](C)CC1 ZINC000086833787 179349768 /nfs/dbraw/zinc/34/97/68/179349768.db2.gz RNEBFFZCNXHMBC-OAHLLOKOSA-N 1 0 297.468 2.307 10 0 CEAERO C[N@@H+]1CCC[C@@H](Nc2ccc(-n3cccn3)nc2)CC1 ZINC000086817972 179346026 /nfs/dbraw/zinc/34/60/26/179346026.db2.gz TWANYWWBSHBYOA-CYBMUJFWSA-N 1 0 271.368 2.164 10 0 CEAERO C[N@@H+]1CCC[C@@]([NH2+]C2CCCCCC2)(C(=O)[O-])CC1 ZINC000086833413 179349660 /nfs/dbraw/zinc/34/96/60/179349660.db2.gz OEDPQDYVDLNSMW-HNNXBMFYSA-N 1 0 268.401 2.238 10 0 CEAERO CCc1nnc(C[NH2+]C2C3CC4CC(C3)CC2C4)n1C ZINC000339393970 215142563 /nfs/dbraw/zinc/14/25/63/215142563.db2.gz SDSMRZIOTKPXRS-UHFFFAOYSA-N 1 0 274.412 2.292 10 0 CEAERO CCC[N@@H+]1CCC[C@@](NC)(c2nccs2)CC1 ZINC000086851380 179359708 /nfs/dbraw/zinc/35/97/08/179359708.db2.gz WQAKQHXQUQTIPS-ZDUSSCGKSA-N 1 0 253.415 2.454 10 0 CEAERO CC[N@@H+]1CCC[C@@H]([NH+](CCC(=O)[O-])C(C)(C)C)CC1 ZINC000086868798 179361543 /nfs/dbraw/zinc/36/15/43/179361543.db2.gz FQRVQZGPTUBADM-CYBMUJFWSA-N 1 0 270.417 2.436 10 0 CEAERO CC[N@@H+]1CCC[C@H]([NH+]2CCC(C)(C(=O)[O-])CC2)CC1 ZINC000086869062 179362541 /nfs/dbraw/zinc/36/25/41/179362541.db2.gz SHEMDSFOHGSVCD-ZDUSSCGKSA-N 1 0 268.401 2.048 10 0 CEAERO O=C1CCCN1c1ccc(C[NH2+][C@H]2CCCOCC2)cc1 ZINC000086869888 179363254 /nfs/dbraw/zinc/36/32/54/179363254.db2.gz GJVWWWUWMQFUBC-HNNXBMFYSA-N 1 0 288.391 2.472 10 0 CEAERO Cc1ccccc1CN(C)[C@]1(C[NH3+])CCCOCC1 ZINC000086875076 179364679 /nfs/dbraw/zinc/36/46/79/179364679.db2.gz UDSUSHATXPDHTF-MRXNPFEDSA-N 1 0 262.397 2.325 10 0 CEAERO COC(=O)[C@]1(N2CC[NH2+]CC2)CCC[C@@H](C(C)C)CC1 ZINC000086949873 179368441 /nfs/dbraw/zinc/36/84/41/179368441.db2.gz WCMYXFWEVMBBEV-ZBFHGGJFSA-N 1 0 282.428 2.040 10 0 CEAERO CC(C)(C)[C@H]1CCC[C@](C(N)=O)(N2CCC[NH2+]CC2)CC1 ZINC000086959773 179368927 /nfs/dbraw/zinc/36/89/27/179368927.db2.gz MMCSKCYXFJALDN-YOEHRIQHSA-N 1 0 295.471 2.132 10 0 CEAERO CCC[NH2+][C@@H](Cc1nc(CCCOC)no1)C(C)C ZINC000086971756 179370527 /nfs/dbraw/zinc/37/05/27/179370527.db2.gz AIOYTUZRWADUTI-LBPRGKRZSA-N 1 0 269.389 2.215 10 0 CEAERO CCC[NH2+][C@@H](C)c1cnc(CCCOC)nc1C ZINC000086971516 179370537 /nfs/dbraw/zinc/37/05/37/179370537.db2.gz PGXVHQYEGKHCBX-NSHDSACASA-N 1 0 251.374 2.425 10 0 CEAERO CCC[NH2+][C@@H](CCCOC)Cc1cnccc1N ZINC000086970913 179370574 /nfs/dbraw/zinc/37/05/74/179370574.db2.gz ITFGZTOHMMZBEA-ZDUSSCGKSA-N 1 0 251.374 2.001 10 0 CEAERO CC[NH2+][C@@H]1CCCC[C@H]1c1nc(CCCOC)no1 ZINC000086972096 179370706 /nfs/dbraw/zinc/37/07/06/179370706.db2.gz FWXPGOLBODIEFU-VXGBXAGGSA-N 1 0 267.373 2.284 10 0 CEAERO CCn1cc([C@@H]([NH2+]C)[C@H]2CSCCS2)cn1 ZINC000086985070 179373770 /nfs/dbraw/zinc/37/37/70/179373770.db2.gz PHCYIZYZDVMARU-GHMZBOCLSA-N 1 0 257.428 2.012 10 0 CEAERO CCS(=O)(=O)CCC[NH2+][C@@H](C)Cc1ccc(C)s1 ZINC000086974542 179372057 /nfs/dbraw/zinc/37/20/57/179372057.db2.gz MGRMYWLKTYVLAR-NSHDSACASA-N 1 0 289.466 2.402 10 0 CEAERO CCS(=O)(=O)CCC[C@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000086976313 179372217 /nfs/dbraw/zinc/37/22/17/179372217.db2.gz FGRPPKYRWAXPLF-JSGCOSHPSA-N 1 0 267.394 2.074 10 0 CEAERO CCC(O)(CC)C[NH2+][C@@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000087014742 179380198 /nfs/dbraw/zinc/38/01/98/179380198.db2.gz LTCUEDHAOMUVMP-NSHDSACASA-N 1 0 292.379 2.219 10 0 CEAERO Cc1cc([C@@H](O)CC[NH3+])sc1Br ZINC000087018762 179381279 /nfs/dbraw/zinc/38/12/79/179381279.db2.gz RDBHTVQLAMELIC-LURJTMIESA-N 1 0 250.161 2.201 10 0 CEAERO CCC(O)(CC)C[NH2+]CC(=O)Nc1cccc(C)c1 ZINC000087028543 179381632 /nfs/dbraw/zinc/38/16/32/179381632.db2.gz UZYMTEAEXJKQHM-UHFFFAOYSA-N 1 0 264.369 2.074 10 0 CEAERO CC[C@](C)(O)C[NH2+]CC(=O)Nc1cc(Cl)ccc1C ZINC000087028038 179381746 /nfs/dbraw/zinc/38/17/46/179381746.db2.gz HNGHFKGQWNLNEK-AWEZNQCLSA-N 1 0 284.787 2.338 10 0 CEAERO CCC[NH2+]Cc1cnc([C@H]2CSCCO2)s1 ZINC000086989821 179374503 /nfs/dbraw/zinc/37/45/03/179374503.db2.gz IQDLZMZIBPYVOD-SNVBAGLBSA-N 1 0 258.412 2.447 10 0 CEAERO [NH3+][C@H]1CCCc2sc([C@H]3CSCCO3)nc21 ZINC000086989898 179374803 /nfs/dbraw/zinc/37/48/03/179374803.db2.gz OAJPVJVZNQXKER-JGVFFNPUSA-N 1 0 256.396 2.284 10 0 CEAERO COc1ccc([C@H](C[NH3+])N(C)Cc2cscn2)cc1F ZINC000086991979 179375329 /nfs/dbraw/zinc/37/53/29/179375329.db2.gz NXTBEMRGISVUGI-ZDUSSCGKSA-N 1 0 295.383 2.423 10 0 CEAERO CCN1C(=O)CCC[C@H]([NH3+])[C@@H]1c1ccc(OC)c(F)c1 ZINC000086995305 179375939 /nfs/dbraw/zinc/37/59/39/179375939.db2.gz JSXPTMZAGKEERH-WFASDCNBSA-N 1 0 280.343 2.235 10 0 CEAERO CC1CCC(O)(C[NH2+]CC(=O)Nc2cccc(F)c2)CC1 ZINC000087061808 179389235 /nfs/dbraw/zinc/38/92/35/179389235.db2.gz QJBXHQMBSCDDJR-UHFFFAOYSA-N 1 0 294.370 2.295 10 0 CEAERO C[C@@H]1C[C@H]([NH3+])CN(C(=O)c2ccc(Cl)s2)C1 ZINC000087040607 179387176 /nfs/dbraw/zinc/38/71/76/179387176.db2.gz KUELAYWWUVJZTR-SFYZADRCSA-N 1 0 258.774 2.211 10 0 CEAERO CC1CCC(O)(C[NH2+]C[C@@H]2CCCCN2C)CC1 ZINC000087045231 179388217 /nfs/dbraw/zinc/38/82/17/179388217.db2.gz AGIOGDNGPUNOGI-SLTAFYQDSA-N 1 0 254.418 2.002 10 0 CEAERO COC(=O)c1occc1C[NH2+]C[C@@]1(O)CCC[C@@H](C)C1 ZINC000087050922 179388778 /nfs/dbraw/zinc/38/87/78/179388778.db2.gz PITVVUSQHDSEPY-IAQYHMDHSA-N 1 0 281.352 2.097 10 0 CEAERO C[C@@H]1CCC[C@](O)(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 ZINC000087052450 179388924 /nfs/dbraw/zinc/38/89/24/179388924.db2.gz RZEYBNMCZGCCNX-YMSVYLFOSA-N 1 0 267.413 2.331 10 0 CEAERO C[C@H]1CCC[C@@](O)(C[NH2+]Cc2ccc3c(c2)OCO3)C1 ZINC000087051292 179388929 /nfs/dbraw/zinc/38/89/29/179388929.db2.gz TYIVATIPFMKJCQ-LRDDRELGSA-N 1 0 277.364 2.446 10 0 CEAERO CCOC(=O)N1CCC([NH2+]C[C@@]2(O)CCC[C@@H](C)C2)CC1 ZINC000087050825 179388942 /nfs/dbraw/zinc/38/89/42/179388942.db2.gz BYUCIYBVSKQOPC-CZUORRHYSA-N 1 0 298.427 2.138 10 0 CEAERO Brc1ccc2oc([C@H]3C[NH2+]CCO3)nc2c1 ZINC000087049359 179388966 /nfs/dbraw/zinc/38/89/66/179388966.db2.gz URKBSOSEDYYBEK-SNVBAGLBSA-N 1 0 283.125 2.251 10 0 CEAERO C[NH2+]C[C@@H](O[C@@H]1CCOC1)c1ccccc1Cl ZINC000104120547 185898738 /nfs/dbraw/zinc/89/87/38/185898738.db2.gz JZFXNPXERGAZAQ-ZWNOBZJWSA-N 1 0 255.745 2.406 10 0 CEAERO CC[C@H]1C[NH2+]C[C@@](C)(Cc2ccc(OC)c(OC)c2)O1 ZINC000087090227 179394254 /nfs/dbraw/zinc/39/42/54/179394254.db2.gz VRRKSFRNKFXELL-XJKSGUPXSA-N 1 0 279.380 2.403 10 0 CEAERO CC[C@@H]1C[NH2+]C[C@H](c2ccc(OC)cc2OC)O1 ZINC000087090340 179394330 /nfs/dbraw/zinc/39/43/30/179394330.db2.gz HPADKTXUECYTIM-QMTHXVAHSA-N 1 0 251.326 2.143 10 0 CEAERO COCC[NH2+]Cc1cnc(CSC(C)(C)C)nc1 ZINC000087119928 179395406 /nfs/dbraw/zinc/39/54/06/179395406.db2.gz GANIWJCITUBNBG-UHFFFAOYSA-N 1 0 269.414 2.244 10 0 CEAERO COc1cccc(C[NH2+]C[C@@]2(O)CCC[C@@H](C)C2)n1 ZINC000087064088 179389974 /nfs/dbraw/zinc/38/99/74/179389974.db2.gz YHWKXGTUSOKKAK-IUODEOHRSA-N 1 0 264.369 2.121 10 0 CEAERO C[C@@H]1CCC[C@]([NH3+])(C(=O)NCC2(O)CCC(C)(C)CC2)C1 ZINC000087068906 179391253 /nfs/dbraw/zinc/39/12/53/179391253.db2.gz NQEWNPRGRKLKAK-CXAGYDPISA-N 1 0 296.455 2.342 10 0 CEAERO CC1(C)CCC(O)(CN2CCC[C@H]([NH2+]C3CC3)C2=O)CC1 ZINC000087071267 179391308 /nfs/dbraw/zinc/39/13/08/179391308.db2.gz UBZYKRMBASZPKK-AWEZNQCLSA-N 1 0 294.439 2.061 10 0 CEAERO COCC[NH2+]CCCOCc1ccc(Cl)cc1 ZINC000087096895 179393984 /nfs/dbraw/zinc/39/39/84/179393984.db2.gz RBIPYCMWIFISPN-UHFFFAOYSA-N 1 0 257.761 2.483 10 0 CEAERO [NH3+]C[C@H]1CC[C@@H](COCc2cccc(Cl)c2)O1 ZINC000087095770 179394106 /nfs/dbraw/zinc/39/41/06/179394106.db2.gz KGVGOOGBXLWUOD-OLZOCXBDSA-N 1 0 255.745 2.363 10 0 CEAERO CC[NH2+][C@@H](CCCS(C)(=O)=O)CS[C@H](C)CC ZINC000087136842 179396562 /nfs/dbraw/zinc/39/65/62/179396562.db2.gz YLKZRWROMJNKFP-NEPJUHHUSA-N 1 0 281.487 2.321 10 0 CEAERO C[N@@H+]1CC[C@](O)(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000087166275 179398770 /nfs/dbraw/zinc/39/87/70/179398770.db2.gz LXHSBEMNEGDPBY-LBPRGKRZSA-N 1 0 259.271 2.315 10 0 CEAERO COc1c(C)c[nH+]c(C[C@@]2(O)CCO[C@@H](C)C2)c1C ZINC000087182289 179398998 /nfs/dbraw/zinc/39/89/98/179398998.db2.gz TUIODGOUXMSDBR-XHDPSFHLSA-N 1 0 265.353 2.180 10 0 CEAERO C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCC(c3nccs3)CC2)C1 ZINC000335600312 212312665 /nfs/dbraw/zinc/31/26/65/212312665.db2.gz IXUDXEAUYTZOKE-DGCLKSJQSA-N 1 0 293.436 2.237 10 0 CEAERO CC[NH2+][C@H](COC)Cc1nc(CSC(C)(C)C)no1 ZINC000087120505 179396139 /nfs/dbraw/zinc/39/61/39/179396139.db2.gz OAGPYSZXGGYBCZ-JTQLQIEISA-N 1 0 287.429 2.268 10 0 CEAERO C[NH2+][C@@H](Cc1nc(CSCC(C)C)no1)C1CC1 ZINC000087125874 179396212 /nfs/dbraw/zinc/39/62/12/179396212.db2.gz RGJZBTLTXFYMTF-NSHDSACASA-N 1 0 269.414 2.499 10 0 CEAERO COc1cccc([C@H](C[NH3+])[C@@H](O)c2occc2C)c1 ZINC000087380998 179417598 /nfs/dbraw/zinc/41/75/98/179417598.db2.gz GMBJKUSHRKXHRI-UONOGXRCSA-N 1 0 261.321 2.373 10 0 CEAERO COCC[C@@H](O)[C@H](C[NH3+])c1ccc(C(C)C)cc1 ZINC000087381950 179417753 /nfs/dbraw/zinc/41/77/53/179417753.db2.gz QTAHGRVJYCWQNB-HUUCEWRRSA-N 1 0 251.370 2.250 10 0 CEAERO CCC[C@H](C[NH3+])NC(=O)c1ccccc1OC(F)F ZINC000087387004 179418991 /nfs/dbraw/zinc/41/89/91/179418991.db2.gz KMGJXDTYIUPENO-SECBINFHSA-N 1 0 272.295 2.145 10 0 CEAERO CCC[C@@H](C[NH3+])NC(=O)c1ccc(OCC)c(OCC)c1 ZINC000087387054 179419040 /nfs/dbraw/zinc/41/90/40/179419040.db2.gz JBCPSGQGLHGHPO-ZDUSSCGKSA-N 1 0 294.395 2.341 10 0 CEAERO CC(C)[C@H](C[NH3+])N1C(=O)CC2(CCCCCC2)C1=O ZINC000087406267 179420093 /nfs/dbraw/zinc/42/00/93/179420093.db2.gz SBHYEDXRONUXFC-LBPRGKRZSA-N 1 0 266.385 2.069 10 0 CEAERO Cc1nc(-c2ccn(C)n2)nc(C)c1[C@H](C)C[NH2+]C1CC1 ZINC000087426417 179424400 /nfs/dbraw/zinc/42/44/00/179424400.db2.gz SAJWNCQUURETDC-SNVBAGLBSA-N 1 0 285.395 2.349 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccn(C)c1C ZINC000248659572 539638344 /nfs/dbraw/zinc/63/83/44/539638344.db2.gz CPIFUFXPGHLZFC-KBPBESRZSA-N 1 0 275.396 2.032 10 0 CEAERO CN(CCOc1ccccc1)C(=O)C(C)(C)C(C)(C)[NH3+] ZINC000087627864 179459176 /nfs/dbraw/zinc/45/91/76/179459176.db2.gz WOECONKMFRUIKU-UHFFFAOYSA-N 1 0 278.396 2.287 10 0 CEAERO CCCc1nsc(N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000087642401 179462673 /nfs/dbraw/zinc/46/26/73/179462673.db2.gz YSZFNPWRXDDLTC-NEPJUHHUSA-N 1 0 280.441 2.459 10 0 CEAERO C[C@H](CCC[C@H](C)[NH3+])c1nc(-c2cnn(C)c2)no1 ZINC000087672481 179467455 /nfs/dbraw/zinc/46/74/55/179467455.db2.gz XSMSFRNGMWBKCT-ZJUUUORDSA-N 1 0 263.345 2.091 10 0 CEAERO Cc1cc(CN(C)C(=O)[C@@H](C)CCC[C@@H](C)[NH3+])no1 ZINC000087685302 179470233 /nfs/dbraw/zinc/47/02/33/179470233.db2.gz RDNKHGMQTMMXCH-WDEREUQCSA-N 1 0 267.373 2.095 10 0 CEAERO Brc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H]2O3)nc1 ZINC000087689768 179470369 /nfs/dbraw/zinc/47/03/69/179470369.db2.gz DHKXYABWGDSOKZ-WOPDTQHZSA-N 1 0 283.169 2.254 10 0 CEAERO CC(=O)c1csc(NC(=O)CCC(C)(C)CC[NH3+])n1 ZINC000087703815 179473378 /nfs/dbraw/zinc/47/33/78/179473378.db2.gz PPAUBBHGEGXGLO-UHFFFAOYSA-N 1 0 283.397 2.439 10 0 CEAERO C[NH2+]C1(Cc2nc([C@H]3CCCO3)no2)CCCCC1 ZINC000087800813 179487371 /nfs/dbraw/zinc/48/73/71/179487371.db2.gz CGHGAJRMMZNQNM-LLVKDONJSA-N 1 0 265.357 2.386 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)Nc1cccc(NC(=O)OC)c1 ZINC000087523417 179440345 /nfs/dbraw/zinc/44/03/45/179440345.db2.gz KKCFNVHEKXNXHB-JTQLQIEISA-N 1 0 279.340 2.178 10 0 CEAERO CC(C)[C@@H](C[NH3+])C(=O)Nc1cnc2c(cnn2C(C)C)c1 ZINC000087532025 179441684 /nfs/dbraw/zinc/44/16/84/179441684.db2.gz CDYDRVJSRKHHFU-CYBMUJFWSA-N 1 0 289.383 2.182 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)NCc1nc2ccccc2s1 ZINC000087531360 179441699 /nfs/dbraw/zinc/44/16/99/179441699.db2.gz WNONVPJQEXMVDS-SNVBAGLBSA-N 1 0 277.393 2.288 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)Nc1ccc2oc(C)nc2c1 ZINC000087531910 179441794 /nfs/dbraw/zinc/44/17/94/179441794.db2.gz IJBXBLSYGYROCG-JTQLQIEISA-N 1 0 261.325 2.450 10 0 CEAERO CCOC(=O)C[C@@H]([NH2+]C)c1ccccc1OCC ZINC000087547674 179442942 /nfs/dbraw/zinc/44/29/42/179442942.db2.gz DQPFLKJUMIORSF-GFCCVEGCSA-N 1 0 251.326 2.299 10 0 CEAERO CCOC(=O)C[C@@](C)([NH2+]C)c1cc(F)ccc1F ZINC000087547378 179443196 /nfs/dbraw/zinc/44/31/96/179443196.db2.gz WUPUIALELWNZKY-CYBMUJFWSA-N 1 0 257.280 2.353 10 0 CEAERO C[NH2+][C@](C)(CCO)c1ccc(OC(F)(F)F)cc1 ZINC000087564126 179446716 /nfs/dbraw/zinc/44/67/16/179446716.db2.gz ZRVVSAHLXSTVBR-LLVKDONJSA-N 1 0 263.259 2.402 10 0 CEAERO Cc1cc(CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)sc1C ZINC000087578139 179450146 /nfs/dbraw/zinc/45/01/46/179450146.db2.gz LDZSJGSZBKOZCF-NWDGAFQWSA-N 1 0 266.410 2.499 10 0 CEAERO CCOC(=O)c1cccc([C@H]2CCCN(CC[NH3+])CC2)c1 ZINC000616629530 348540115 /nfs/dbraw/zinc/54/01/15/348540115.db2.gz RLZZUXNYRJCYMH-AWEZNQCLSA-N 1 0 290.407 2.392 10 0 CEAERO CC(C)(C)[N@@H+]1CCN[C@@H](c2cccc3ccnnc32)C1 ZINC000616632333 348541567 /nfs/dbraw/zinc/54/15/67/348541567.db2.gz MUEWAEXZUVARCX-CQSZACIVSA-N 1 0 270.380 2.375 10 0 CEAERO CC[C@@H]1COCCC[N@@H+]1CCNC(=O)OC(C)(C)C ZINC000616644796 348545592 /nfs/dbraw/zinc/54/55/92/348545592.db2.gz HPUUUTNNCOWBTR-GFCCVEGCSA-N 1 0 272.389 2.012 10 0 CEAERO c1ccc(C[N@@H+]2CCOC[C@@H](c3cncnc3)C2)cc1 ZINC000616659977 348552179 /nfs/dbraw/zinc/55/21/79/348552179.db2.gz LPQAQMIRDWTOJR-INIZCTEOSA-N 1 0 269.348 2.093 10 0 CEAERO CCc1nn(C)c(C[C@@H]2CC[C@H]2[NH3+])c1Br ZINC000087935532 179527843 /nfs/dbraw/zinc/52/78/43/179527843.db2.gz SCBTXZGCCCFDPH-JGVFFNPUSA-N 1 0 272.190 2.025 10 0 CEAERO Cc1nn(C)c(C[C@@H]2CCC[C@@H]2C[NH3+])c1Br ZINC000087940631 179528464 /nfs/dbraw/zinc/52/84/64/179528464.db2.gz LJAYDNQFYXJOPJ-VHSXEESVSA-N 1 0 286.217 2.409 10 0 CEAERO CC(C)[N@@H+]1CCOCC[C@H]1CCNC(=O)OC(C)(C)C ZINC000616655804 348550124 /nfs/dbraw/zinc/55/01/24/348550124.db2.gz CRSWSFUGFCPKTG-CYBMUJFWSA-N 1 0 286.416 2.401 10 0 CEAERO Brc1ccc2nnc(C[C@@H]3CCC[NH2+]C3)n2c1 ZINC000087846987 179499662 /nfs/dbraw/zinc/49/96/62/179499662.db2.gz VJTAMRGBRZQWGO-VIFPVBQESA-N 1 0 295.184 2.034 10 0 CEAERO CC[C@@H](c1nc(C)cc(C(F)F)n1)N1CC[NH2+]CC1 ZINC000616575736 348524864 /nfs/dbraw/zinc/52/48/64/348524864.db2.gz CJWDECDGDYUEHK-NSHDSACASA-N 1 0 270.327 2.079 10 0 CEAERO CC[N@@H+]1CCOC[C@H](c2ccccc2NC(C)=O)C1 ZINC000616594305 348528175 /nfs/dbraw/zinc/52/81/75/348528175.db2.gz NTRPGLFWKBPQPD-CYBMUJFWSA-N 1 0 262.353 2.081 10 0 CEAERO Cc1csc([C@@H](C)Nc2nc(NN)[nH+]cc2Cl)n1 ZINC000087881479 179509165 /nfs/dbraw/zinc/50/91/65/179509165.db2.gz WGRBXKTVOSAFRW-ZCFIWIBFSA-N 1 0 284.776 2.354 10 0 CEAERO CCOC(=O)c1ccc([C@@H]2CCCN(CC[NH3+])CC2)cc1 ZINC000616601367 348531428 /nfs/dbraw/zinc/53/14/28/348531428.db2.gz OJIINRQVRWWKQA-CQSZACIVSA-N 1 0 290.407 2.392 10 0 CEAERO CC(C)[N@@H+]1CCOC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000616658451 348551208 /nfs/dbraw/zinc/55/12/08/348551208.db2.gz FJWLYIFTSDVVPV-CYBMUJFWSA-N 1 0 286.416 2.258 10 0 CEAERO [NH3+]CCN1CCC(c2cccc3cnccc32)CC1 ZINC000616608876 348533431 /nfs/dbraw/zinc/53/34/31/348533431.db2.gz FUZLISAUWAFKIL-UHFFFAOYSA-N 1 0 255.365 2.373 10 0 CEAERO OCC[N@@H+]1CCC[C@H](c2cccc3ncccc32)C1 ZINC000616617974 348536026 /nfs/dbraw/zinc/53/60/26/348536026.db2.gz NZRFSVMYIJPLOM-ZDUSSCGKSA-N 1 0 256.349 2.407 10 0 CEAERO OCC[NH+]1CCC(c2ccc3cccnc3c2)CC1 ZINC000616619971 348536341 /nfs/dbraw/zinc/53/63/41/348536341.db2.gz TUKCARSHJQWTMB-UHFFFAOYSA-N 1 0 256.349 2.407 10 0 CEAERO C[C@@H]1CCCC[C@H]1Nc1nc(NN)[nH+]cc1Cl ZINC000087905032 179516550 /nfs/dbraw/zinc/51/65/50/179516550.db2.gz XQUYZFLVPONAFH-VXNVDRBHSA-N 1 0 255.753 2.406 10 0 CEAERO C[C@H]([NH3+])C[S@](=O)Cc1ccc(Br)cc1 ZINC000088069418 179543804 /nfs/dbraw/zinc/54/38/04/179543804.db2.gz QFXLIJMETHUYEX-RMLUDKJBSA-N 1 0 276.199 2.045 10 0 CEAERO C[C@H](CC[NH3+])[S@](=O)Cc1cccc(Br)c1 ZINC000088087713 179546297 /nfs/dbraw/zinc/54/62/97/179546297.db2.gz HQIZJLYXHXLNIM-PSLIRLAXSA-N 1 0 290.226 2.435 10 0 CEAERO [NH3+][C@@H](CCc1ccc2c(c1)CCO2)c1ncccn1 ZINC000088104774 179549550 /nfs/dbraw/zinc/54/95/50/179549550.db2.gz NIDNHFZIRCSGCB-ZDUSSCGKSA-N 1 0 255.321 2.044 10 0 CEAERO [NH3+][C@H]1CC(=O)N(c2cc(Cl)ccc2Br)C1 ZINC000088123515 179552012 /nfs/dbraw/zinc/55/20/12/179552012.db2.gz JLZPZEYJJVNFLZ-ZETCQYMHSA-N 1 0 289.560 2.167 10 0 CEAERO [NH3+]CC[C@H]([S@@](=O)c1cccs1)C(F)(F)F ZINC000088144541 179556433 /nfs/dbraw/zinc/55/64/33/179556433.db2.gz DQZSEJHCWQEWKE-XHLQUELWSA-N 1 0 257.302 2.135 10 0 CEAERO CCNC(=O)COc1cccc2c1CCC[C@H]2[NH2+]CC ZINC000088152034 179557954 /nfs/dbraw/zinc/55/79/54/179557954.db2.gz LAQWCVWEDBCYOR-CQSZACIVSA-N 1 0 276.380 2.188 10 0 CEAERO CC(C)c1nsc(N2CCC[C@H](CC[NH3+])C2)n1 ZINC000087642765 539653058 /nfs/dbraw/zinc/65/30/58/539653058.db2.gz IXRVULBEALLIRP-SNVBAGLBSA-N 1 0 254.403 2.227 10 0 CEAERO c1cc([C@H]2COCC[N@@H+](Cc3ccccc3)C2)on1 ZINC000616663529 348553572 /nfs/dbraw/zinc/55/35/72/348553572.db2.gz QTYIBKCSKWANTL-CQSZACIVSA-N 1 0 258.321 2.291 10 0 CEAERO c1ccc(C[N@@H+]2CCOC[C@H](c3cncnc3)C2)cc1 ZINC000616662768 348553709 /nfs/dbraw/zinc/55/37/09/348553709.db2.gz LPQAQMIRDWTOJR-MRXNPFEDSA-N 1 0 269.348 2.093 10 0 CEAERO CCCC1(c2nc3ccc(OC)nc3[nH]2)CC[NH2+]CC1 ZINC000088192750 179563080 /nfs/dbraw/zinc/56/30/80/179563080.db2.gz LKQZXELPAOGXOJ-UHFFFAOYSA-N 1 0 274.368 2.388 10 0 CEAERO Nc1ccccc1[C@@H]1c2ccccc2CCN1CC[NH3+] ZINC000616678635 348558120 /nfs/dbraw/zinc/55/81/20/348558120.db2.gz KLRQSSFJZAALHC-KRWDZBQOSA-N 1 0 267.376 2.175 10 0 CEAERO COc1ccccc1OCC[C@]1(C[NH3+])CCCC[C@@H]1O ZINC000088415930 179596320 /nfs/dbraw/zinc/59/63/20/179596320.db2.gz MNNOAAUNVPPKBF-HOTGVXAUSA-N 1 0 279.380 2.344 10 0 CEAERO CC[C@](C)(O)C[N@@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000249069966 539654690 /nfs/dbraw/zinc/65/46/90/539654690.db2.gz KTFAZBPFXWZXQJ-CJNGLKHVSA-N 1 0 280.387 2.497 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N1CCC(C(F)(F)F)CC1 ZINC000088420751 179596909 /nfs/dbraw/zinc/59/69/09/179596909.db2.gz WNJWQKDUCQQXJA-UHFFFAOYSA-N 1 0 266.307 2.175 10 0 CEAERO CC(C)C[C@H](C[NH3+])CC(=O)NC[C@]1(O)CCC[C@@H](C)C1 ZINC000088289973 179575809 /nfs/dbraw/zinc/57/58/09/179575809.db2.gz ANSMHYYWEKQPRS-YCPHGPKFSA-N 1 0 284.444 2.055 10 0 CEAERO [NH3+]CC1(C(=O)N2CCCCc3ccccc32)CCOCC1 ZINC000088334233 179578612 /nfs/dbraw/zinc/57/86/12/179578612.db2.gz FYDHXRMWYIFXEI-UHFFFAOYSA-N 1 0 288.391 2.111 10 0 CEAERO CC(C)CC[C@@H](C)[NH2+]CCn1c(=O)oc2cccnc21 ZINC000088397223 179591682 /nfs/dbraw/zinc/59/16/82/179591682.db2.gz ZUBRFKUCFTUJRM-GFCCVEGCSA-N 1 0 277.368 2.404 10 0 CEAERO CCN(C)c1ccc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)cn1 ZINC000248881802 539654015 /nfs/dbraw/zinc/65/40/15/539654015.db2.gz POMQYYPDZYOEBI-INIZCTEOSA-N 1 0 299.422 2.399 10 0 CEAERO COCc1ccccc1[C@@H](O)Cc1c[nH+]ccc1N ZINC000088566526 179625998 /nfs/dbraw/zinc/62/59/98/179625998.db2.gz JTQUTKWFMCTINZ-HNNXBMFYSA-N 1 0 258.321 2.086 10 0 CEAERO CCC[NH2+][C@H](Cc1ncnn1C)Cc1ccc(C)cc1 ZINC000088582013 179629167 /nfs/dbraw/zinc/62/91/67/179629167.db2.gz RAHZRUVOKUKFTO-HNNXBMFYSA-N 1 0 272.396 2.277 10 0 CEAERO CCC[NH2+][C@H](Cc1ncnn1C)Cc1cc(F)cc(F)c1 ZINC000088581901 179629414 /nfs/dbraw/zinc/62/94/14/179629414.db2.gz DCKXXVIBDVQFDW-AWEZNQCLSA-N 1 0 294.349 2.247 10 0 CEAERO CCC[NH2+]C[C@H](Cc1ncnn1C)c1ccccc1 ZINC000088583304 179630249 /nfs/dbraw/zinc/63/02/49/179630249.db2.gz ITPHBKOYBZUCCA-AWEZNQCLSA-N 1 0 258.369 2.141 10 0 CEAERO CCC[C@@H]1C[NH2+]C2(CCCCC2)CN1Cc1ncnn1C ZINC000088584040 179630608 /nfs/dbraw/zinc/63/06/08/179630608.db2.gz CKUCDSKWZMZNHE-CQSZACIVSA-N 1 0 291.443 2.092 10 0 CEAERO CCCN(Cc1ncnn1CCC)[C@](C)(CC)C[NH3+] ZINC000088586014 179631471 /nfs/dbraw/zinc/63/14/71/179631471.db2.gz LIAKHFOQPNUHSG-CQSZACIVSA-N 1 0 267.421 2.028 10 0 CEAERO CCCn1ncnc1CN1CCC[C@@H](C[NH2+]C(C)(C)C)C1 ZINC000088595481 179633531 /nfs/dbraw/zinc/63/35/31/179633531.db2.gz SUTXIZHYSWRWMO-AWEZNQCLSA-N 1 0 293.459 2.288 10 0 CEAERO CCC[C@@]([NH3+])(Cc1ncnn1CC)c1ccccc1 ZINC000088607127 179636601 /nfs/dbraw/zinc/63/66/01/179636601.db2.gz IHRNXCDXVWALNC-OAHLLOKOSA-N 1 0 258.369 2.495 10 0 CEAERO CCn1ncnc1C[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000088609938 179637197 /nfs/dbraw/zinc/63/71/97/179637197.db2.gz UWURBKQGHQJDKE-LLVKDONJSA-N 1 0 295.184 2.303 10 0 CEAERO CCn1ncnc1C[C@H](Cc1ccc(Cl)cc1)[NH2+]C ZINC000088610514 179637964 /nfs/dbraw/zinc/63/79/64/179637964.db2.gz MRLAMXRKOOLCKW-ZDUSSCGKSA-N 1 0 278.787 2.325 10 0 CEAERO COc1ccccc1C[C@@H](C[NH3+])Cc1ncnn1C(C)C ZINC000088620118 179640489 /nfs/dbraw/zinc/64/04/89/179640489.db2.gz PNAVDBUUBUSHEX-CYBMUJFWSA-N 1 0 288.395 2.228 10 0 CEAERO CC[C@@](C)(C[NH2+]CCOC)Cc1ncnn1C(C)C ZINC000088621520 179641238 /nfs/dbraw/zinc/64/12/38/179641238.db2.gz PZPKOIXAJQDFGE-CQSZACIVSA-N 1 0 268.405 2.054 10 0 CEAERO CCCn1ncnc1CN1C[C@H](CC)[NH2+]C[C@@H]1[C@@H](C)CC ZINC000088625346 179642283 /nfs/dbraw/zinc/64/22/83/179642283.db2.gz FALOUYQXRSVZEH-SOUVJXGZSA-N 1 0 293.459 2.287 10 0 CEAERO CC[C@@]1(C)CN(Cc2ncnn2C(C)C)[C@H](C2CC2)C[NH2+]1 ZINC000088625583 179642541 /nfs/dbraw/zinc/64/25/41/179642541.db2.gz MXHLGYIPONERPV-HOCLYGCPSA-N 1 0 291.443 2.212 10 0 CEAERO CCC[C@@H]1C[NH2+][C@H](C2CC2)CN1Cc1ncnn1CCC ZINC000088625747 179643062 /nfs/dbraw/zinc/64/30/62/179643062.db2.gz XIVZZLQAYVDTRQ-CABCVRRESA-N 1 0 291.443 2.041 10 0 CEAERO CC[NH2+][C@H](Cc1ccncc1Cl)[C@H]1CCOC1 ZINC000088789576 179672674 /nfs/dbraw/zinc/67/26/74/179672674.db2.gz MXEOYQVLSUTNIF-WCQYABFASA-N 1 0 254.761 2.292 10 0 CEAERO CC[NH2+]Cc1cccc2ccn(CCCS(C)(=O)=O)c21 ZINC000088731770 179659526 /nfs/dbraw/zinc/65/95/26/179659526.db2.gz LEFIMAZDFJCJHI-UHFFFAOYSA-N 1 0 294.420 2.186 10 0 CEAERO CCc1nc(CC)n(CCCC[C@@](C)(CO)[NH2+]C2CC2)n1 ZINC000088746352 179663495 /nfs/dbraw/zinc/66/34/95/179663495.db2.gz UBHKNTSHOLCTNG-INIZCTEOSA-N 1 0 294.443 2.076 10 0 CEAERO CC(C)[NH2+]CCc1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC000088976252 179687972 /nfs/dbraw/zinc/68/79/72/179687972.db2.gz OFBHJTCLNWATRJ-UHFFFAOYSA-N 1 0 298.452 2.304 10 0 CEAERO Cc1cc(C)c(S(=O)(=O)N(C)CCC(C)C)cc1C[NH3+] ZINC000088991362 179690426 /nfs/dbraw/zinc/69/04/26/179690426.db2.gz UPJSGNAOVARPTB-UHFFFAOYSA-N 1 0 298.452 2.429 10 0 CEAERO CCC[NH2+]CCCS(=O)(=O)N(C)c1ccccc1C ZINC000089020964 179691683 /nfs/dbraw/zinc/69/16/83/179691683.db2.gz BSCDXAIAIBRRPM-UHFFFAOYSA-N 1 0 284.425 2.151 10 0 CEAERO C[NH2+]CCc1nnc(Cc2cccc(F)c2)s1 ZINC000088822553 179677656 /nfs/dbraw/zinc/67/76/56/179677656.db2.gz SCOJDUZNXRWPLK-UHFFFAOYSA-N 1 0 251.330 2.030 10 0 CEAERO C[NH2+][C@H](C)c1nnc([C@@H]2COc3ccccc32)s1 ZINC000088820959 179678077 /nfs/dbraw/zinc/67/80/77/179678077.db2.gz JUAZMLSXLXXOHI-PSASIEDQSA-N 1 0 261.350 2.343 10 0 CEAERO Cc1ccc(-c2nnc(CC[NH2+]C3CC3)s2)cn1 ZINC000088823522 179678862 /nfs/dbraw/zinc/67/88/62/179678862.db2.gz HOSMUEACZGUITD-UHFFFAOYSA-N 1 0 260.366 2.203 10 0 CEAERO CC(C)(C)c1nnsc1C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000089106648 179702328 /nfs/dbraw/zinc/70/23/28/179702328.db2.gz CDRDQUAJTXBNNP-UWVGGRQHSA-N 1 0 296.440 2.083 10 0 CEAERO Cc1cc(C)cc(S(=O)(=O)N[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000089108165 179703833 /nfs/dbraw/zinc/70/38/33/179703833.db2.gz KNMIDJGMMHKZKY-ZFWWWQNUSA-N 1 0 296.436 2.099 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@@H]1N1C(=O)c2cc(F)c(F)cc2C1=O ZINC000089109180 179704215 /nfs/dbraw/zinc/70/42/15/179704215.db2.gz OGFAGFTWIIPYAG-OQPBUACISA-N 1 0 294.301 2.078 10 0 CEAERO Cc1ccc(CC(=O)N(C)[C@@H]2CCC[C@@H]2C[NH3+])cc1C ZINC000089109962 179705257 /nfs/dbraw/zinc/70/52/57/179705257.db2.gz XPCUXBHOOWJBTG-HZPDHXFCSA-N 1 0 274.408 2.432 10 0 CEAERO CN(C(=O)CCc1ccccc1)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089110956 179705816 /nfs/dbraw/zinc/70/58/16/179705816.db2.gz GPADNXIIVQWLQW-LSDHHAIUSA-N 1 0 260.381 2.205 10 0 CEAERO CCN(Cc1c(C)nn(C)c1Cl)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089115390 179709525 /nfs/dbraw/zinc/70/95/25/179709525.db2.gz LDPATEWJHUPOJV-YPMHNXCESA-N 1 0 284.835 2.331 10 0 CEAERO C[C@]1(CNc2nc(C3CC3)ns2)CCC[NH2+]C1 ZINC000129287526 187421656 /nfs/dbraw/zinc/42/16/56/187421656.db2.gz GZWXNKGQTSMXIQ-LBPRGKRZSA-N 1 0 252.387 2.217 10 0 CEAERO Cn1nc(C[C@H]([NH3+])CC(F)(F)F)c2ccccc21 ZINC000089177592 179742532 /nfs/dbraw/zinc/74/25/32/179742532.db2.gz NLSJERFQCCPWPC-QMMMGPOBSA-N 1 0 257.259 2.396 10 0 CEAERO CCn1nc(CC2(C[NH3+])CCOCC2)c2ccccc21 ZINC000089179132 179743235 /nfs/dbraw/zinc/74/32/35/179743235.db2.gz AKWUQHWYKGGBMJ-UHFFFAOYSA-N 1 0 273.380 2.354 10 0 CEAERO C[C@@H]1C[NH2+]C(C)(C)CN1Cc1nn(C)c2ccccc12 ZINC000089180307 179743914 /nfs/dbraw/zinc/74/39/14/179743914.db2.gz YVPPNVIUAOQTDK-GFCCVEGCSA-N 1 0 272.396 2.146 10 0 CEAERO COc1ccccc1C[C@H]([NH2+][C@H](C)CO)C(C)C ZINC000129365166 187426288 /nfs/dbraw/zinc/42/62/88/187426288.db2.gz XNQDOYRTGWOGKD-OCCSQVGLSA-N 1 0 251.370 2.233 10 0 CEAERO CC[NH2+][C@@H](C)[C@H]1CCCN(Cc2cc(C)nn2CC)C1 ZINC000089180602 179744511 /nfs/dbraw/zinc/74/45/11/179744511.db2.gz ANMAKXYCUSWCQL-GJZGRUSLSA-N 1 0 278.444 2.421 10 0 CEAERO CCc1cc(CN2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)n(C)n1 ZINC000089188461 179747584 /nfs/dbraw/zinc/74/75/84/179747584.db2.gz LLNHHRIUCBEZGV-JKSUJKDBSA-N 1 0 276.428 2.089 10 0 CEAERO CCc1cc(CN2CC[NH2+]Cc3ccccc32)n(C)n1 ZINC000089188445 179747811 /nfs/dbraw/zinc/74/78/11/179747811.db2.gz POUTWMDVAUHOER-UHFFFAOYSA-N 1 0 270.380 2.092 10 0 CEAERO Cc1cc(C[C@H]([NH3+])c2ccc(F)c(F)c2)n(C)n1 ZINC000089192739 179749757 /nfs/dbraw/zinc/74/97/57/179749757.db2.gz GWIULTWMHASXLG-ZDUSSCGKSA-N 1 0 251.280 2.249 10 0 CEAERO CC[NH2+][C@@H](Cc1cc(C)nn1C)Cc1ccccc1 ZINC000089192946 179749895 /nfs/dbraw/zinc/74/98/95/179749895.db2.gz WJCGDIMJEQPDHK-OAHLLOKOSA-N 1 0 257.381 2.492 10 0 CEAERO C[NH2+][C@@H](CCc1ccccc1)Cc1cc(C)nn1C ZINC000089193596 179749910 /nfs/dbraw/zinc/74/99/10/179749910.db2.gz KDXUPVCUSMPNOO-HNNXBMFYSA-N 1 0 257.381 2.492 10 0 CEAERO COCCOc1cccc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000089454791 539717096 /nfs/dbraw/zinc/71/70/96/539717096.db2.gz YSRVMJIGDIFOHC-SWLSCSKDSA-N 1 0 292.379 2.025 10 0 CEAERO CCc1cc(CN2C[C@H](C)[NH2+]CC23CCCC3)n(C)n1 ZINC000089208831 179754861 /nfs/dbraw/zinc/75/48/61/179754861.db2.gz BEMUXWSNZCFIQZ-ZDUSSCGKSA-N 1 0 276.428 2.089 10 0 CEAERO CC[C@@H]1C[NH2+]C2(CCCC2)CN1Cc1cc(C)nn1C ZINC000089210661 179755965 /nfs/dbraw/zinc/75/59/65/179755965.db2.gz RAAXDWGFZKKPQH-CQSZACIVSA-N 1 0 276.428 2.225 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1nc(C2CC2)cs1 ZINC000089460522 539718944 /nfs/dbraw/zinc/71/89/44/539718944.db2.gz IYNRQWCKRLMKGS-UWVGGRQHSA-N 1 0 265.382 2.334 10 0 CEAERO CCN(Cc1c(Cl)c(C)nn1CC)[C@@H]1CCC[NH2+]C1 ZINC000089281982 179764462 /nfs/dbraw/zinc/76/44/62/179764462.db2.gz HCJRBHYSXJCIJK-GFCCVEGCSA-N 1 0 284.835 2.439 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@@H]1C(=O)NCc1cccs1 ZINC000089387567 179778324 /nfs/dbraw/zinc/77/83/24/179778324.db2.gz XPLLFPYJOAITPJ-PWSUYJOCSA-N 1 0 252.383 2.129 10 0 CEAERO Cc1noc(C)c1CN(C)C(=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089392412 179778929 /nfs/dbraw/zinc/77/89/29/179778929.db2.gz UTOIDRPIKPIYRQ-CHWSQXEVSA-N 1 0 279.384 2.015 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@H]1C(=O)N(Cc1ccncc1)C1CC1 ZINC000089391039 179778963 /nfs/dbraw/zinc/77/89/63/179778963.db2.gz PEZIKRFFORYQJW-GDBMZVCRSA-N 1 0 287.407 2.338 10 0 CEAERO OC[C@H]1CCC[C@@H]1C[NH2+]CCCOc1ccccc1 ZINC000089498928 179804523 /nfs/dbraw/zinc/80/45/23/179804523.db2.gz QUCQSMBZLVUVET-HUUCEWRRSA-N 1 0 263.381 2.454 10 0 CEAERO OC[C@@H]1CCCC[C@H]1C[NH2+]Cc1cn2ccccc2n1 ZINC000089503151 179806123 /nfs/dbraw/zinc/80/61/23/179806123.db2.gz MEBLZIOWRGHQHL-KBPBESRZSA-N 1 0 273.380 2.223 10 0 CEAERO OC[C@@H]1CCCC[C@H]1C[NH2+]Cc1cnn2ccccc12 ZINC000089504502 179806817 /nfs/dbraw/zinc/80/68/17/179806817.db2.gz HXRFXBQEKFPKHP-KBPBESRZSA-N 1 0 273.380 2.223 10 0 CEAERO Cc1ccc(CC(=O)NC[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000089530805 179810462 /nfs/dbraw/zinc/81/04/62/179810462.db2.gz TYKYETCVSOMQCI-CVEARBPZSA-N 1 0 274.408 2.419 10 0 CEAERO O=C(C[C@@H]1CC[NH2+]C1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000089742933 539730601 /nfs/dbraw/zinc/73/06/01/539730601.db2.gz FVSDAPSQBPVGBA-HBNTYKKESA-N 1 0 278.318 2.223 10 0 CEAERO CCc1ccc([C@H](CC)[NH2+]C[C@@](C)(O)CO)cc1 ZINC000090284499 179949161 /nfs/dbraw/zinc/94/91/61/179949161.db2.gz GRIJHLDFZXTBFH-LSDHHAIUSA-N 1 0 251.370 2.033 10 0 CEAERO CCCN(c1ncccc1C(F)(F)F)C1C[NH2+]C1 ZINC000090294091 179951841 /nfs/dbraw/zinc/95/18/41/179951841.db2.gz YSQQAOKLDNIRPA-UHFFFAOYSA-N 1 0 259.275 2.289 10 0 CEAERO CCCN1C(=O)CCC[C@H]([NH3+])[C@H]1c1cncn1C(C)C ZINC000090209273 179933858 /nfs/dbraw/zinc/93/38/58/179933858.db2.gz FFCVYNNSKKUVJU-WFASDCNBSA-N 1 0 278.400 2.255 10 0 CEAERO CCCN(CC(=O)Nc1ccc(Cl)cc1C)C1C[NH2+]C1 ZINC000090293830 179952092 /nfs/dbraw/zinc/95/20/92/179952092.db2.gz TXWXMCROPXJJDE-UHFFFAOYSA-N 1 0 295.814 2.271 10 0 CEAERO COCc1cc(CN2CCCC[C@H]2C[NH2+]CC(C)C)no1 ZINC000090255676 179941411 /nfs/dbraw/zinc/94/14/11/179941411.db2.gz KECBLRSZVLNZKA-HNNXBMFYSA-N 1 0 295.427 2.421 10 0 CEAERO CCOc1ccccc1NC(=O)CSC[C@@H](C)[NH3+] ZINC000090343826 179969143 /nfs/dbraw/zinc/96/91/43/179969143.db2.gz SXUJTGWVGAWHQI-SNVBAGLBSA-N 1 0 268.382 2.104 10 0 CEAERO COc1ccc([C@H]2CSCCC[NH2+]2)c(OC)c1 ZINC000090344155 179969302 /nfs/dbraw/zinc/96/93/02/179969302.db2.gz AUPFSQFVOCWRAB-GFCCVEGCSA-N 1 0 253.367 2.471 10 0 CEAERO C[C@@H](C[NH3+])CSCC(=O)Nc1c(F)cccc1F ZINC000090350004 179972247 /nfs/dbraw/zinc/97/22/47/179972247.db2.gz OPVLHUDIDHEGGE-QMMMGPOBSA-N 1 0 274.336 2.231 10 0 CEAERO C[C@@H]1C[NH2+][C@H](c2ccc3c(c2)OCO3)CSC1 ZINC000090351662 179972871 /nfs/dbraw/zinc/97/28/71/179972871.db2.gz GRHNGYVRAXVTFZ-KOLCDFICSA-N 1 0 251.351 2.429 10 0 CEAERO C[C@H](CC[NH3+])SCC(=O)NCc1ccccc1Cl ZINC000090354489 179973401 /nfs/dbraw/zinc/97/34/01/179973401.db2.gz DWWHHRNYGFSUSY-SNVBAGLBSA-N 1 0 286.828 2.427 10 0 CEAERO CC[C@@H]([NH3+])CSCc1cc(=O)n2cc(Cl)ccc2n1 ZINC000090356485 179975300 /nfs/dbraw/zinc/97/53/00/179975300.db2.gz YRVYYGJYEOZMGH-SNVBAGLBSA-N 1 0 297.811 2.318 10 0 CEAERO CC[C@H]([NH3+])CSCc1cn2c(n1)nc(C)cc2C ZINC000090357222 179975687 /nfs/dbraw/zinc/97/56/87/179975687.db2.gz XDQDLEZHYJVVDR-NSHDSACASA-N 1 0 264.398 2.317 10 0 CEAERO CCC[NH2+]C1CCN(CCc2cscn2)CC1 ZINC000104441260 186003129 /nfs/dbraw/zinc/00/31/29/186003129.db2.gz XWOHEOFFPJBSCD-UHFFFAOYSA-N 1 0 253.415 2.150 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1cccc(CC)c1 ZINC000090539128 180000432 /nfs/dbraw/zinc/00/04/32/180000432.db2.gz QHJWMZCGORQABE-GJZGRUSLSA-N 1 0 276.380 2.202 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)NC1CCCCCCC1 ZINC000090538655 180000485 /nfs/dbraw/zinc/00/04/85/180000485.db2.gz FPFHHKMHQSAVCU-CABCVRRESA-N 1 0 282.428 2.230 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc(OCC)cc1 ZINC000090538499 180000567 /nfs/dbraw/zinc/00/05/67/180000567.db2.gz HHGPQCXZMRYISL-CABCVRRESA-N 1 0 292.379 2.038 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)N(C)c1ccc(CC)cc1 ZINC000090544408 180000827 /nfs/dbraw/zinc/00/08/27/180000827.db2.gz ZTARBBKKWUAROA-HZPDHXFCSA-N 1 0 290.407 2.226 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1nc(C(C)C)cs1 ZINC000090543835 180000982 /nfs/dbraw/zinc/00/09/82/180000982.db2.gz LFTKMIBHPYBIBX-WDEREUQCSA-N 1 0 297.424 2.220 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N1CCC[C@H](C(C)C)CC1 ZINC000090545890 180001143 /nfs/dbraw/zinc/00/11/43/180001143.db2.gz KTIVCSVZZHDFBQ-HRCADAONSA-N 1 0 296.455 2.286 10 0 CEAERO O=C(CSCC1C[NH2+]C1)Nc1cccc(Cl)c1 ZINC000090712016 180028552 /nfs/dbraw/zinc/02/85/52/180028552.db2.gz WWLSZCMNVHTWGP-UHFFFAOYSA-N 1 0 270.785 2.231 10 0 CEAERO CC(C)c1ccc(NC(=O)[C@@]2(C)COC[C@H]2[NH3+])cc1 ZINC000090580641 180008571 /nfs/dbraw/zinc/00/85/71/180008571.db2.gz FCUMTLNRVWARAN-HIFRSBDPSA-N 1 0 262.353 2.112 10 0 CEAERO CC(C)(C)c1ccc(NC(=O)[C@@]2(C)COC[C@@H]2[NH3+])cc1 ZINC000090580322 180008750 /nfs/dbraw/zinc/00/87/50/180008750.db2.gz KYLHPDZVCJSDRX-BBRMVZONSA-N 1 0 276.380 2.286 10 0 CEAERO CCN(Cc1ccccc1Cl)C(=O)[C@@]1(C)COC[C@H]1[NH3+] ZINC000090592311 180010282 /nfs/dbraw/zinc/01/02/82/180010282.db2.gz OQEXHZWMHXHDEE-HIFRSBDPSA-N 1 0 296.798 2.052 10 0 CEAERO CC(C)COc1cccc(NC(=O)[C@@]2(C)COC[C@@H]2[NH3+])c1 ZINC000090589869 180010385 /nfs/dbraw/zinc/01/03/85/180010385.db2.gz RHLBXCPZFZPYQT-HOCLYGCPSA-N 1 0 292.379 2.024 10 0 CEAERO O=C1CCN(C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000090659419 180018728 /nfs/dbraw/zinc/01/87/28/180018728.db2.gz UZIGZOHDCVAYFE-UHFFFAOYSA-N 1 0 272.392 2.316 10 0 CEAERO CCOC(=O)[C@](C)([NH3+])C[C@H](C)O[C@@H](C)C(F)(F)F ZINC000090674278 180021563 /nfs/dbraw/zinc/02/15/63/180021563.db2.gz DOIHKCABWQJSOG-OYNCUSHFSA-N 1 0 271.279 2.013 10 0 CEAERO CCOC(=O)[C@@](C)([NH3+])CCCO[C@@H](C)C(F)(F)F ZINC000090674609 180022499 /nfs/dbraw/zinc/02/24/99/180022499.db2.gz PSFLNDNYJCCADW-WPRPVWTQSA-N 1 0 271.279 2.015 10 0 CEAERO CN(CC[C@H]1CCCC[NH2+]1)CC(=O)Nc1cccc(F)c1 ZINC000090693464 180025613 /nfs/dbraw/zinc/02/56/13/180025613.db2.gz YSAKFLXQRDGIJL-CQSZACIVSA-N 1 0 293.386 2.228 10 0 CEAERO CC(C)(C)OC(=O)N1CCC([N@@H+]2CCC[C@@H](CO)C2)CC1 ZINC000090728186 180033136 /nfs/dbraw/zinc/03/31/36/180033136.db2.gz GAZKWALREOBSLR-CYBMUJFWSA-N 1 0 298.427 2.090 10 0 CEAERO Cc1nnc(Sc2ccc(C[C@@H](C)[NH3+])cc2C)n1C ZINC000104445798 186004720 /nfs/dbraw/zinc/00/47/20/186004720.db2.gz ADBQLLCPMBFOAM-SNVBAGLBSA-N 1 0 276.409 2.473 10 0 CEAERO CC[NH2+][C@H](Cc1cc(OC)ncn1)c1ccccc1 ZINC000090783908 180039638 /nfs/dbraw/zinc/03/96/38/180039638.db2.gz JGLSBXSGLIDGRN-CQSZACIVSA-N 1 0 257.337 2.379 10 0 CEAERO CC(C)Oc1cc(N[C@@H](C)[C@@H]2CCC[NH2+]C2)ncn1 ZINC000090786066 180040063 /nfs/dbraw/zinc/04/00/63/180040063.db2.gz DIIBZPUEUZUJQK-NWDGAFQWSA-N 1 0 264.373 2.064 10 0 CEAERO CCCOc1cc(N[C@@H]2CC[NH2+]C3(CCC3)C2)ncn1 ZINC000090785113 180040078 /nfs/dbraw/zinc/04/00/78/180040078.db2.gz WIQKQYIEZLGXCC-GFCCVEGCSA-N 1 0 276.384 2.352 10 0 CEAERO COc1cc(N2CCC[C@H]2C[NH2+]CC(C)C)nc(C)n1 ZINC000090787297 180040898 /nfs/dbraw/zinc/04/08/98/180040898.db2.gz UICFAUMFBYHYIA-ZDUSSCGKSA-N 1 0 278.400 2.008 10 0 CEAERO COc1cc(OCC2([NH3+])CCCCCC2)nc(C)n1 ZINC000090787252 180040946 /nfs/dbraw/zinc/04/09/46/180040946.db2.gz YFXICOFVPZSXLI-UHFFFAOYSA-N 1 0 265.357 2.224 10 0 CEAERO COc1cc(NC[C@@H](C)[NH+]2CCCCC2)nc(C)n1 ZINC000090791945 180042703 /nfs/dbraw/zinc/04/27/03/180042703.db2.gz WWYNEXCRAHBTFB-LLVKDONJSA-N 1 0 264.373 2.080 10 0 CEAERO CCOc1ncnc(N[C@H](C)C[NH+]2CCCCC2)c1C ZINC000090791065 180042971 /nfs/dbraw/zinc/04/29/71/180042971.db2.gz SBURJZCQAILVCV-GFCCVEGCSA-N 1 0 278.400 2.470 10 0 CEAERO C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](C)[S@](C)=O ZINC000090842132 180043354 /nfs/dbraw/zinc/04/33/54/180043354.db2.gz VJXSNAKWXGAQGS-CZIZLABSSA-N 1 0 257.374 2.113 10 0 CEAERO C[C@H](C[NH2+][C@H]1CSCc2ccccc21)[S@](C)=O ZINC000090842875 180044783 /nfs/dbraw/zinc/04/47/83/180044783.db2.gz UFGOYOPKLHCWKD-ANTHHZPCSA-N 1 0 269.435 2.331 10 0 CEAERO COc1cc(OC)cc(O[C@H]2C[C@H]([NH3+])C2(C)C)c1 ZINC000090861683 180047036 /nfs/dbraw/zinc/04/70/36/180047036.db2.gz BVJPEOXELNVGBW-STQMWFEESA-N 1 0 251.326 2.208 10 0 CEAERO C[NH2+][C@@H]1C[C@H](OC2CCOCC2)C12CCCCC2 ZINC000090862596 180047140 /nfs/dbraw/zinc/04/71/40/180047140.db2.gz QQCNPMHLTUWBGD-KGLIPLIRSA-N 1 0 253.386 2.493 10 0 CEAERO CCCNC(=O)CSc1cccc(C[NH2+]C)c1 ZINC000090870784 180048950 /nfs/dbraw/zinc/04/89/50/180048950.db2.gz RZSUONPUZYSJEK-UHFFFAOYSA-N 1 0 252.383 2.024 10 0 CEAERO C[C@@H](Sc1cccc(C[NH3+])c1)C(=O)N1CCCC1 ZINC000090870364 180049158 /nfs/dbraw/zinc/04/91/58/180049158.db2.gz MTTDJRNDERDNFF-LLVKDONJSA-N 1 0 264.394 2.248 10 0 CEAERO CNC(=O)CSc1cccc(C[NH2+]C(C)C)c1 ZINC000090871891 180050231 /nfs/dbraw/zinc/05/02/31/180050231.db2.gz VNKCMSHQRWVMRF-UHFFFAOYSA-N 1 0 252.383 2.023 10 0 CEAERO CC(C)[NH2+]Cc1nccn1C[C@@H]1Cc2ccccc2O1 ZINC000090876352 180052154 /nfs/dbraw/zinc/05/21/54/180052154.db2.gz FUPAAGJRDWANNA-AWEZNQCLSA-N 1 0 271.364 2.385 10 0 CEAERO OCCC[C@H]1CCC[N@@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090876831 180052438 /nfs/dbraw/zinc/05/24/38/180052438.db2.gz DHZFQCPFDAVXKF-CABCVRRESA-N 1 0 261.365 2.227 10 0 CEAERO Fc1ccc2c(c1)C[C@H](C[NH2+]C[C@H]1CCCCO1)O2 ZINC000090892529 180053717 /nfs/dbraw/zinc/05/37/17/180053717.db2.gz DSKKBBHISWLAGX-ZIAGYGMSSA-N 1 0 265.328 2.288 10 0 CEAERO Fc1ccc2c(c1)C[C@@H](C[NH2+]CCc1ccncc1)O2 ZINC000090892218 180053745 /nfs/dbraw/zinc/05/37/45/180053745.db2.gz RHUZYTFZCNOSIY-HNNXBMFYSA-N 1 0 272.323 2.357 10 0 CEAERO CCOCCC[NH2+]C[C@H]1Cc2cc(F)ccc2O1 ZINC000090892014 180054119 /nfs/dbraw/zinc/05/41/19/180054119.db2.gz ROTSRXAXLXLESF-CYBMUJFWSA-N 1 0 253.317 2.145 10 0 CEAERO COCC[C@H](C)[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892912 180054881 /nfs/dbraw/zinc/05/48/81/180054881.db2.gz IMCNLXOYQOIBIL-GWCFXTLKSA-N 1 0 253.317 2.144 10 0 CEAERO COC(=O)C1CC[NH+](C[C@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090894710 180056055 /nfs/dbraw/zinc/05/60/55/180056055.db2.gz CEYZULCFPPSVOL-CQSZACIVSA-N 1 0 293.338 2.014 10 0 CEAERO CCCC[N@H+](CCO)C[C@H]1Cc2cc(F)ccc2O1 ZINC000090894766 180056331 /nfs/dbraw/zinc/05/63/31/180056331.db2.gz JQBRBUDHNKDAFD-CQSZACIVSA-N 1 0 267.344 2.224 10 0 CEAERO C[NH2+]CC1CC(OC[C@H]2Cc3cc(F)ccc3O2)C1 ZINC000090893750 180056409 /nfs/dbraw/zinc/05/64/09/180056409.db2.gz JUEVSZFYCLWKHT-UZANAETPSA-N 1 0 265.328 2.144 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[NH2+][C@@H](C)CN1CCCC1)O2 ZINC000090897622 180057332 /nfs/dbraw/zinc/05/73/32/180057332.db2.gz STMFCZJGWWKMKK-GOEBONIOSA-N 1 0 274.408 2.372 10 0 CEAERO Cc1cc(C[NH2+]C[C@H]2Cc3cc(C)ccc3O2)no1 ZINC000090897812 180057488 /nfs/dbraw/zinc/05/74/88/180057488.db2.gz BKYRAFHIXBTJBZ-CQSZACIVSA-N 1 0 258.321 2.385 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H](C)N1C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090900181 180058685 /nfs/dbraw/zinc/05/86/85/180058685.db2.gz BPTJMWLUQCLDQZ-WDMOLILDSA-N 1 0 280.799 2.326 10 0 CEAERO OCC[N@H+](C[C@H]1Cc2cc(Cl)ccc2O1)C1CC1 ZINC000090900901 180059120 /nfs/dbraw/zinc/05/91/20/180059120.db2.gz LBJBWYIFLYZJIX-CYBMUJFWSA-N 1 0 267.756 2.100 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](CN1CCC[NH2+][C@H](C3CC3)C1)O2 ZINC000090902514 180059699 /nfs/dbraw/zinc/05/96/99/180059699.db2.gz ULZXWNRKKGNAJQ-IRXDYDNUSA-N 1 0 286.419 2.372 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](CN1CC[NH2+][C@H](C(C)C)C1)O2 ZINC000090902424 180060129 /nfs/dbraw/zinc/06/01/29/180060129.db2.gz HGKLHCAIRXMXCZ-HOTGVXAUSA-N 1 0 274.408 2.228 10 0 CEAERO Cc1cc(C)c([C@@H]([NH3+])CN2C[C@H]3CC[C@@H](C2)O3)c(C)c1 ZINC000090906102 180061216 /nfs/dbraw/zinc/06/12/16/180061216.db2.gz PVRBJWVOZSVZSM-XHSDSOJGSA-N 1 0 274.408 2.475 10 0 CEAERO CC(C)(C[NH2+]C(C)(C)C)CN1C[C@H]2CC[C@@H](C1)O2 ZINC000090907587 180061853 /nfs/dbraw/zinc/06/18/53/180061853.db2.gz IZWHQNDUEPZHCN-BETUJISGSA-N 1 0 254.418 2.264 10 0 CEAERO [NH3+]Cc1nc(-c2n[nH]c(C3CCCCC3)n2)cs1 ZINC000090934582 180067420 /nfs/dbraw/zinc/06/74/20/180067420.db2.gz NJKHUFDZENFJNQ-UHFFFAOYSA-N 1 0 263.370 2.435 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+][C@H]1CCCC[C@H]1O ZINC000090960597 180075309 /nfs/dbraw/zinc/07/53/09/180075309.db2.gz JNROMQMIYKCFHY-CMPLNLGQSA-N 1 0 268.382 2.100 10 0 CEAERO Nc1ccsc1C[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000090960164 180075405 /nfs/dbraw/zinc/07/54/05/180075405.db2.gz VRSQHRIAODRSFE-SECBINFHSA-N 1 0 293.358 2.304 10 0 CEAERO CC(=O)Nc1ccccc1C[NH2+][C@H]1CCC[C@H](O)C1 ZINC000090962098 180076119 /nfs/dbraw/zinc/07/61/19/180076119.db2.gz VZQWXKOUEIYILK-KBPBESRZSA-N 1 0 262.353 2.038 10 0 CEAERO C[C@@H]1CCC[C@](CO)([NH2+]Cc2sccc2N)C1 ZINC000090960617 180076207 /nfs/dbraw/zinc/07/62/07/180076207.db2.gz KVRLOSSBLAALJK-MFKMUULPSA-N 1 0 254.399 2.361 10 0 CEAERO CC(=O)Nc1ccccc1C[NH2+]C[C@@H]1CCCCN1C ZINC000090962467 180077334 /nfs/dbraw/zinc/07/73/34/180077334.db2.gz NDSJCAIIQRMVLB-HNNXBMFYSA-N 1 0 275.396 2.219 10 0 CEAERO COC[C@H]([NH2+]Cc1ccccc1NC(C)=O)C(C)C ZINC000090962821 180077351 /nfs/dbraw/zinc/07/73/51/180077351.db2.gz ADWXMHZUKCGQSQ-HNNXBMFYSA-N 1 0 264.369 2.406 10 0 CEAERO CN(CC[C@@H]1CCCC[NH2+]1)C(=O)[C@H]1Cc2ccccc21 ZINC000090983752 180080141 /nfs/dbraw/zinc/08/01/41/180080141.db2.gz VZOFKKYLBTXRMN-HOCLYGCPSA-N 1 0 272.392 2.317 10 0 CEAERO [NH3+]Cc1ccccc1NC(=O)[C@H]1Cc2ccccc21 ZINC000090985573 180080883 /nfs/dbraw/zinc/08/08/83/180080883.db2.gz RYNMBVYLYUQYIU-AWEZNQCLSA-N 1 0 252.317 2.424 10 0 CEAERO [NH3+]Cc1cn(CCCn2ccnc2)c2ccccc12 ZINC000090995060 180082577 /nfs/dbraw/zinc/08/25/77/180082577.db2.gz DTKYXXZNJFEKCO-UHFFFAOYSA-N 1 0 254.337 2.387 10 0 CEAERO C[NH2+]Cc1cn(CCC(=O)NC2CC2)c2ccccc12 ZINC000090995345 180082739 /nfs/dbraw/zinc/08/27/39/180082739.db2.gz XRHXCGPMTIDMGD-UHFFFAOYSA-N 1 0 271.364 2.029 10 0 CEAERO CCn1nc(Cn2cccc2C[NH3+])c2ccccc21 ZINC000090995148 180082767 /nfs/dbraw/zinc/08/27/67/180082767.db2.gz HNNHNYZSIRZCEV-UHFFFAOYSA-N 1 0 254.337 2.365 10 0 CEAERO CCS(=O)(=O)CCCn1cccc1C[NH2+]C(C)(C)C ZINC000091001772 180083300 /nfs/dbraw/zinc/08/33/00/180083300.db2.gz SJTOYUPXCXZCFG-UHFFFAOYSA-N 1 0 286.441 2.201 10 0 CEAERO COC(=O)CCCn1cccc1C[NH2+]CC(C)C ZINC000091001883 180083459 /nfs/dbraw/zinc/08/34/59/180083459.db2.gz ZEEOPSQSQZNVFV-UHFFFAOYSA-N 1 0 252.358 2.187 10 0 CEAERO CC[NH2+]Cc1cccn1Cc1cc(CC)nn1CC ZINC000090996061 180083557 /nfs/dbraw/zinc/08/35/57/180083557.db2.gz RGFKXSABTHUKDK-UHFFFAOYSA-N 1 0 260.385 2.425 10 0 CEAERO COCC[NH2+]Cc1ccn(CCOCCC(C)C)c1 ZINC000091004649 180084209 /nfs/dbraw/zinc/08/42/09/180084209.db2.gz DACJAVHHDOZAGD-UHFFFAOYSA-N 1 0 268.401 2.287 10 0 CEAERO Cc1nn(C)c(Cn2cccc2C[C@@H](C)[NH3+])c1Cl ZINC000091005493 180084795 /nfs/dbraw/zinc/08/47/95/180084795.db2.gz TXZRPQISJUYSMH-SECBINFHSA-N 1 0 266.776 2.121 10 0 CEAERO [NH3+]Cc1cn(CCOCC(F)(F)F)c2ncccc12 ZINC000091018916 180086901 /nfs/dbraw/zinc/08/69/01/180086901.db2.gz DLSHECYACMEWPF-UHFFFAOYSA-N 1 0 273.258 2.074 10 0 CEAERO CC(C)[NH2+]Cc1cn(CCC(=O)N(C)C)c2ncccc12 ZINC000091020787 180087751 /nfs/dbraw/zinc/08/77/51/180087751.db2.gz BRNGJIPZVGVPJS-UHFFFAOYSA-N 1 0 288.395 2.013 10 0 CEAERO CC[NH2+]Cc1cn(CC(=O)N(C)C(C)C)c2ncccc12 ZINC000091019986 180087880 /nfs/dbraw/zinc/08/78/80/180087880.db2.gz MNQFDHYSMNNDTL-UHFFFAOYSA-N 1 0 288.395 2.013 10 0 CEAERO C[C@@H]1CCCN(Cc2c[nH]c3ncccc23)[C@@H]1C[NH3+] ZINC000091019744 180087971 /nfs/dbraw/zinc/08/79/71/180087971.db2.gz KUVXFUJGDBSJKD-BXUZGUMPSA-N 1 0 258.369 2.122 10 0 CEAERO CCC[NH2+]Cc1cn(CC(=O)OC(C)C)c2ncccc12 ZINC000091020365 180088158 /nfs/dbraw/zinc/08/81/58/180088158.db2.gz ISEQISJYCODBER-UHFFFAOYSA-N 1 0 289.379 2.488 10 0 CEAERO CCC[NH2+]Cc1cn(CCn2ccnc2)c2ncccc12 ZINC000091020317 180088272 /nfs/dbraw/zinc/08/82/72/180088272.db2.gz DZULGBDHHOHPAQ-UHFFFAOYSA-N 1 0 283.379 2.433 10 0 CEAERO [NH3+]CCc1cn(CCOC(F)(F)F)c2ncccc12 ZINC000091021346 180088704 /nfs/dbraw/zinc/08/87/04/180088704.db2.gz NQNDVJUAUBZVQD-UHFFFAOYSA-N 1 0 273.258 2.074 10 0 CEAERO CC[C@H]([NH3+])Cc1cn(CCCOC)c2ncccc12 ZINC000091021865 180088708 /nfs/dbraw/zinc/08/87/08/180088708.db2.gz UAANBWYAJPNNTC-ZDUSSCGKSA-N 1 0 261.369 2.353 10 0 CEAERO CCCCOCCn1cc(CC[NH3+])c2cccnc21 ZINC000091021455 180088760 /nfs/dbraw/zinc/08/87/60/180088760.db2.gz JIOSRXDSLZVFLR-UHFFFAOYSA-N 1 0 261.369 2.354 10 0 CEAERO CCCn1cccc1C[NH2+]CCCOCCOC ZINC000091023128 180088852 /nfs/dbraw/zinc/08/88/52/180088852.db2.gz MHABOPFREHMBNZ-UHFFFAOYSA-N 1 0 254.374 2.041 10 0 CEAERO CC(C)Cn1cnnc1-c1csc([C@@H](C)[NH3+])n1 ZINC000090945133 180069701 /nfs/dbraw/zinc/06/97/01/180069701.db2.gz VJBJCPKYUSCPJX-MRVPVSSYSA-N 1 0 251.359 2.077 10 0 CEAERO CCOCc1ccccc1NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000091134604 180103678 /nfs/dbraw/zinc/10/36/78/180103678.db2.gz ZGQCCORQJITWQP-ZDUSSCGKSA-N 1 0 294.420 2.257 10 0 CEAERO CCN(Cc1ccccc1)[C@@H](C[NH3+])CC(=O)NC(C)(C)C ZINC000091320829 180133554 /nfs/dbraw/zinc/13/35/54/180133554.db2.gz FXGPGZWXXIOYAQ-OAHLLOKOSA-N 1 0 291.439 2.141 10 0 CEAERO CCN(c1cccc(C)c1)[C@H](C[NH3+])CC(=O)NC(C)(C)C ZINC000091321078 180133574 /nfs/dbraw/zinc/13/35/74/180133574.db2.gz WVQLUDXHTKUELG-HNNXBMFYSA-N 1 0 291.439 2.453 10 0 CEAERO CCCNC(=O)C[C@@H](C[NH3+])N(C)Cc1ccc(Cl)cc1 ZINC000091317181 180133743 /nfs/dbraw/zinc/13/37/43/180133743.db2.gz CSJUNSMTEWHEIH-AWEZNQCLSA-N 1 0 297.830 2.015 10 0 CEAERO CCN(CC[C@@H]1C[NH2+]CCO1)c1ccc(F)cc1 ZINC000091314104 180133931 /nfs/dbraw/zinc/13/39/31/180133931.db2.gz LBVQOEYSMTWBQM-CQSZACIVSA-N 1 0 252.333 2.031 10 0 CEAERO c1ccc2c(c1)CCCCN2CC[C@@H]1C[NH2+]CCO1 ZINC000091314342 180134085 /nfs/dbraw/zinc/13/40/85/180134085.db2.gz AZGHBMYPPRXCCJ-OAHLLOKOSA-N 1 0 260.381 2.208 10 0 CEAERO CCCC[NH+](CCCC)[C@H](CN)CC(=O)N1CCCC1 ZINC000091323242 180134361 /nfs/dbraw/zinc/13/43/61/180134361.db2.gz KLZYAYYJWCONGD-HNNXBMFYSA-N 1 0 283.460 2.228 10 0 CEAERO [NH3+]C[C@H](CC(=O)N1CCCC1)Nc1ccccc1Cl ZINC000091324914 180134381 /nfs/dbraw/zinc/13/43/81/180134381.db2.gz CDKREFVCKUNNRO-NSHDSACASA-N 1 0 281.787 2.092 10 0 CEAERO CCN(CC)C(=O)C[C@@H](C[NH3+])Nc1ccc(Cl)cc1 ZINC000091323013 180134427 /nfs/dbraw/zinc/13/44/27/180134427.db2.gz WDSDWCYOLMQMOU-ZDUSSCGKSA-N 1 0 283.803 2.338 10 0 CEAERO Cc1ccc(N[C@H](C[NH3+])CC(=O)NC(C)(C)C)cc1 ZINC000091321826 180134646 /nfs/dbraw/zinc/13/46/46/180134646.db2.gz GTHITBOYXWJIML-ZDUSSCGKSA-N 1 0 263.385 2.039 10 0 CEAERO CC1CCC([N@H+](C)[C@H](CN)CC(=O)N2CCCCC2)CC1 ZINC000091325262 180135212 /nfs/dbraw/zinc/13/52/12/180135212.db2.gz ADDGIZDKJHNVFA-GPANFISMSA-N 1 0 295.471 2.227 10 0 CEAERO CC1(C)CCC[N@@H+]([C@H](CN)CC(=O)N2CCCCC2)CC1 ZINC000091325558 180135243 /nfs/dbraw/zinc/13/52/43/180135243.db2.gz QZKYIVLVSZGZHI-HNNXBMFYSA-N 1 0 295.471 2.228 10 0 CEAERO CCC1(C)CC[NH+]([C@H](CN)CC(=O)N2CCCCC2)CC1 ZINC000091325438 180135373 /nfs/dbraw/zinc/13/53/73/180135373.db2.gz DEBHCEYQOCEXLD-HNNXBMFYSA-N 1 0 295.471 2.228 10 0 CEAERO C[C@@H]1CSCCN1C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091361442 180141573 /nfs/dbraw/zinc/14/15/73/180141573.db2.gz NEXVQOIVBOJCEI-RFGFWPKPSA-N 1 0 282.453 2.261 10 0 CEAERO O=C(NCC1(O)CCCCC1)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000091361702 180141929 /nfs/dbraw/zinc/14/19/29/180141929.db2.gz DCCGWKPNWZPGAA-ILXRZTDVSA-N 1 0 294.439 2.109 10 0 CEAERO COc1ccc([C@H]([NH3+])CSC[C@H](C)CO)cc1 ZINC000091261413 180115769 /nfs/dbraw/zinc/11/57/69/180115769.db2.gz MCIGFKDKYYXXLL-ZWNOBZJWSA-N 1 0 255.383 2.057 10 0 CEAERO COc1ccc(C)cc1[C@@H]([NH3+])CSC[C@H](C)CO ZINC000091260610 180116194 /nfs/dbraw/zinc/11/61/94/180116194.db2.gz SRRDPCOJWJNJBD-YPMHNXCESA-N 1 0 269.410 2.365 10 0 CEAERO C[C@H](CCO)Sc1nc2ccccc2cc1C(N)=[NH2+] ZINC000091263924 180116449 /nfs/dbraw/zinc/11/64/49/180116449.db2.gz DKDXLYYYWBFQJC-SECBINFHSA-N 1 0 275.377 2.382 10 0 CEAERO C[NH2+]C[C@@H]1CCCCN(C)[C@@H]1c1cncn1C1CC1 ZINC000091275486 180118738 /nfs/dbraw/zinc/11/87/38/180118738.db2.gz WOCVNMGWPQISTO-WFASDCNBSA-N 1 0 262.401 2.210 10 0 CEAERO c1cn([C@@H]2CCC[C@@H]2[NH2+]Cc2cncn2C2CC2)cn1 ZINC000091275119 180119251 /nfs/dbraw/zinc/11/92/51/180119251.db2.gz ARJJKRBIRFYVGO-LSDHHAIUSA-N 1 0 271.368 2.298 10 0 CEAERO C[C@@H]1CC[C@@H](C)N([C@@H](C[NH3+])c2cncn2C2CC2)C1 ZINC000091276680 180119570 /nfs/dbraw/zinc/11/95/70/180119570.db2.gz NBYDAZBTMHNWER-BZPMIXESSA-N 1 0 262.401 2.338 10 0 CEAERO CC[C@@H]1CN(Cc2cncn2C2CC2)[C@@H](CC)C[NH2+]1 ZINC000091277088 180120191 /nfs/dbraw/zinc/12/01/91/180120191.db2.gz MJOYJRSLCMEPTG-OLZOCXBDSA-N 1 0 262.401 2.180 10 0 CEAERO [NH3+]C[C@H](Nc1cccc(F)c1)c1cncn1C1CC1 ZINC000091276642 180120274 /nfs/dbraw/zinc/12/02/74/180120274.db2.gz YGSRWYFTLKQXGJ-ZDUSSCGKSA-N 1 0 260.316 2.469 10 0 CEAERO CC(C)N(CC1CC1)[C@@H](C[NH3+])c1cncn1C1CC1 ZINC000091276425 180120549 /nfs/dbraw/zinc/12/05/49/180120549.db2.gz LTRCXDWROKFVKB-AWEZNQCLSA-N 1 0 262.401 2.338 10 0 CEAERO CC(C)n1c(C[C@H]2C[NH2+]CCO2)nc2ccccc21 ZINC000091293176 180124368 /nfs/dbraw/zinc/12/43/68/180124368.db2.gz UURLRTQJSKBMBY-LBPRGKRZSA-N 1 0 259.353 2.148 10 0 CEAERO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1[NH2+]C1CC(O)C1 ZINC000091430531 180153437 /nfs/dbraw/zinc/15/34/37/180153437.db2.gz IGCKJGVEKSOZJN-GFJIZPEISA-N 1 0 298.427 2.183 10 0 CEAERO C[C@@H]1CCC(=O)[C@@H](C[N@@H+]2CCC[C@H](N(C)C)C2)C1 ZINC000091431811 180153496 /nfs/dbraw/zinc/15/34/96/180153496.db2.gz SHNPOFNCHXOGEF-MCIONIFRSA-N 1 0 252.402 2.018 10 0 CEAERO c1sc([C@H]2C[NH2+]CCO2)nc1-c1ccc2c(c1)OCO2 ZINC000091500819 180174875 /nfs/dbraw/zinc/17/48/75/180174875.db2.gz DZCKPFRJSHAWKN-CYBMUJFWSA-N 1 0 290.344 2.200 10 0 CEAERO CCC[NH2+]CC[C@](C)(O)c1ccc(OC)c(OC)c1 ZINC000091466448 180163467 /nfs/dbraw/zinc/16/34/67/180163467.db2.gz BPIDHYNADUBBGP-HNNXBMFYSA-N 1 0 267.369 2.301 10 0 CEAERO CC(C)[NH2+]CC[C@](C)(O)Cc1nn(C)c2ccccc12 ZINC000091466462 180164016 /nfs/dbraw/zinc/16/40/16/180164016.db2.gz JTNSJPLFJSRPIV-INIZCTEOSA-N 1 0 275.396 2.255 10 0 CEAERO CCC[NH2+]C[C@H](O)Cc1cc(Cl)ccc1OC ZINC000091467304 180164233 /nfs/dbraw/zinc/16/42/33/180164233.db2.gz ZJSMGFGSRCFVSV-GFCCVEGCSA-N 1 0 257.761 2.252 10 0 CEAERO CCc1nn(C)c(C[C@](C)(O)CC[NH2+]C(C)C)c1Cl ZINC000091470083 180164939 /nfs/dbraw/zinc/16/49/39/180164939.db2.gz SHIFRAUTFIIIRU-CQSZACIVSA-N 1 0 287.835 2.318 10 0 CEAERO CN(CC1CC([NH3+])C1)C(=O)c1ccc2ncccc2c1 ZINC000091472327 180165674 /nfs/dbraw/zinc/16/56/74/180165674.db2.gz TZHUZOWGOJEFPM-UHFFFAOYSA-N 1 0 269.348 2.044 10 0 CEAERO C[N@H+](CC1CC(O)C1)CC1(CO)CCCCCC1 ZINC000091489806 180169115 /nfs/dbraw/zinc/16/91/15/180169115.db2.gz UYMONUHLRMYMBN-UHFFFAOYSA-N 1 0 255.402 2.022 10 0 CEAERO Cc1ncccc1NC(=O)[C@H](C[NH3+])Cc1ccccc1 ZINC000091496133 180171472 /nfs/dbraw/zinc/17/14/72/180171472.db2.gz VVMWFZWJLSZTIC-AWEZNQCLSA-N 1 0 269.348 2.146 10 0 CEAERO CC1(C)C(C(=O)NC[C@H]2CCC[C@@H]2C[NH3+])C1(C)C ZINC000091494730 180171533 /nfs/dbraw/zinc/17/15/33/180171533.db2.gz DQRHHZDVSVFDTL-GHMZBOCLSA-N 1 0 252.402 2.160 10 0 CEAERO Cc1ncccc1NC(=O)Cc1ccc(C[NH3+])cc1 ZINC000091495123 180171583 /nfs/dbraw/zinc/17/15/83/180171583.db2.gz GZVSATUMJZNHRU-UHFFFAOYSA-N 1 0 255.321 2.030 10 0 CEAERO Cc1ccc2c(C[N@H+](C)CC3CC(O)C3)cc(=O)oc2c1 ZINC000091498935 180173950 /nfs/dbraw/zinc/17/39/50/180173950.db2.gz VYSICTMGXXURAK-UHFFFAOYSA-N 1 0 287.359 2.304 10 0 CEAERO C[C@H](Cc1ccc(Cl)cc1)[NH2+]CCc1nnc[nH]1 ZINC000091377362 180143887 /nfs/dbraw/zinc/14/38/87/180143887.db2.gz PBRYXOFBVZMQAR-SNVBAGLBSA-N 1 0 264.760 2.221 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(Cc2ccc(Cl)cc2N)C1 ZINC000091395706 180146206 /nfs/dbraw/zinc/14/62/06/180146206.db2.gz XYPTUFKJRJCTDG-CYBMUJFWSA-N 1 0 267.804 2.448 10 0 CEAERO CCc1ccc([C@@H](NC(=O)C2C[NH2+]C2)C(C)C)cc1 ZINC000091409639 180148388 /nfs/dbraw/zinc/14/83/88/180148388.db2.gz GKHJATSGPMRDET-HNNXBMFYSA-N 1 0 260.381 2.282 10 0 CEAERO CCCOc1ccc(NC(=O)C2C[NH2+]C2)cc1Cl ZINC000091408887 180148389 /nfs/dbraw/zinc/14/83/89/180148389.db2.gz JSZNRYQKBGSXPF-UHFFFAOYSA-N 1 0 268.744 2.287 10 0 CEAERO Cc1ccc(NC(=O)C2C[NH2+]C2)cc1C(F)(F)F ZINC000091410536 180148417 /nfs/dbraw/zinc/14/84/17/180148417.db2.gz RZUMLWLYHPZJBO-UHFFFAOYSA-N 1 0 258.243 2.172 10 0 CEAERO [NH3+]Cc1cncc(N(Cc2cccs2)C2CC2)n1 ZINC000091420955 180150895 /nfs/dbraw/zinc/15/08/95/180150895.db2.gz ZFQCVLLHHJYRID-UHFFFAOYSA-N 1 0 260.366 2.166 10 0 CEAERO CCNc1cc(CN2CCC[C@@H]([NH+](C)C)C2)ccn1 ZINC000091427180 180151868 /nfs/dbraw/zinc/15/18/68/180151868.db2.gz TYBOYXICLHWTON-CQSZACIVSA-N 1 0 262.401 2.039 10 0 CEAERO CC(C)n1ncnc1C[C@@H](O)C(C)(C)[NH+]1CCCCC1 ZINC000091564007 180192808 /nfs/dbraw/zinc/19/28/08/180192808.db2.gz HQOFVTZQQATNRS-CYBMUJFWSA-N 1 0 280.416 2.027 10 0 CEAERO CC[NH2+][C@H](Cc1cnn(C)c1)C(C)(C)N1CCCCC1 ZINC000091565099 180193387 /nfs/dbraw/zinc/19/33/87/180193387.db2.gz YOMSDGJMIIYKRL-OAHLLOKOSA-N 1 0 278.444 2.205 10 0 CEAERO C[NH2+][C@H](Cc1cnccc1N)C(C)(C)N1CCCCC1 ZINC000091564924 180193700 /nfs/dbraw/zinc/19/37/00/180193700.db2.gz UYRXEULPNMGSHZ-OAHLLOKOSA-N 1 0 276.428 2.059 10 0 CEAERO C[NH2+][C@@H](c1ccc(C)cc1)C(C)(C)N1CCOCC1 ZINC000091566471 180194212 /nfs/dbraw/zinc/19/42/12/180194212.db2.gz QTCFTUMLXFEWFX-HNNXBMFYSA-N 1 0 262.397 2.366 10 0 CEAERO CC(C)n1ncnc1C[C@H](O)C(C)(C)[NH+]1CCCCCC1 ZINC000091567502 180194725 /nfs/dbraw/zinc/19/47/25/180194725.db2.gz OQYUFAPXPFEQKC-AWEZNQCLSA-N 1 0 294.443 2.417 10 0 CEAERO CN[C@H](c1cnccn1)C(C)(C)[NH+]1CCCCCC1 ZINC000091568158 180194998 /nfs/dbraw/zinc/19/49/98/180194998.db2.gz UHABXNPKAMYVRE-CQSZACIVSA-N 1 0 262.401 2.392 10 0 CEAERO C[NH2+][C@H](c1cccs1)C(C)(C)N1CCOCC1 ZINC000091566756 180195093 /nfs/dbraw/zinc/19/50/93/180195093.db2.gz ZKXHJPFGACRITO-GFCCVEGCSA-N 1 0 254.399 2.119 10 0 CEAERO CC[C@](C)([C@@H](N)Cc1ccncc1Cl)[NH+](C)C ZINC000091569763 180195372 /nfs/dbraw/zinc/19/53/72/180195372.db2.gz SGGXBJBDABVYOM-QWHCGFSZSA-N 1 0 255.793 2.335 10 0 CEAERO CC[C@](C)([C@H]([NH2+]C)c1cc(Cl)cnc1N)N(C)C ZINC000091570341 180195433 /nfs/dbraw/zinc/19/54/33/180195433.db2.gz WYMWOINVSYWYJU-DGCLKSJQSA-N 1 0 270.808 2.308 10 0 CEAERO CCCn1nccc1[C@@H]([NH2+]C)[C@](C)(CC)N(C)C ZINC000091570499 180195596 /nfs/dbraw/zinc/19/55/96/180195596.db2.gz QXAJHAKRUCKSKO-KGLIPLIRSA-N 1 0 252.406 2.284 10 0 CEAERO CCc1cc(C[C@H]([NH2+]C)[C@](C)(CC)N(C)C)n(CC)n1 ZINC000091570638 180195834 /nfs/dbraw/zinc/19/58/34/180195834.db2.gz QCEJFZJEJHNSIA-HOTGVXAUSA-N 1 0 280.460 2.326 10 0 CEAERO CC[C@@](C)([C@@H](O)Cc1ccc(OC)c(F)c1)[NH+](C)C ZINC000091569434 180195903 /nfs/dbraw/zinc/19/59/03/180195903.db2.gz KFWHGRUADZLVCW-GJZGRUSLSA-N 1 0 269.360 2.468 10 0 CEAERO CCC[NH2+][C@@H](c1cncnc1)[C@](C)(CC)N(C)C ZINC000091571766 180196216 /nfs/dbraw/zinc/19/62/16/180196216.db2.gz JCQNYKJAEOXTDM-KBPBESRZSA-N 1 0 250.390 2.248 10 0 CEAERO CCCn1ncnc1CC(=O)[C@](C)(CC)[NH+](CC)CC ZINC000091572679 180196258 /nfs/dbraw/zinc/19/62/58/180196258.db2.gz UWXCZQZXERYJPT-HNNXBMFYSA-N 1 0 280.416 2.310 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@H](O)Cc1ncnn1CC(C)C ZINC000091573133 180196496 /nfs/dbraw/zinc/19/64/96/180196496.db2.gz ONJCAZXOZVDOLD-GDBMZVCRSA-N 1 0 296.459 2.348 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@@H](N)Cc1cccnc1N ZINC000091573722 180196629 /nfs/dbraw/zinc/19/66/29/180196629.db2.gz KTATWMONCGNDLY-ZFWWWQNUSA-N 1 0 264.417 2.044 10 0 CEAERO CC[NH2+][C@@H](c1cccnc1N)[C@@](C)(CC)N(C)C ZINC000091571635 180196634 /nfs/dbraw/zinc/19/66/34/180196634.db2.gz YNGSSRXCPNAAAU-GXTWGEPZSA-N 1 0 250.390 2.045 10 0 CEAERO CCn1cc([C@@H](N)[C@@](C)(CC)[NH+](CC)CC)cn1 ZINC000091574013 180197008 /nfs/dbraw/zinc/19/70/08/180197008.db2.gz VRONZBIXZIEZQN-ZIAGYGMSSA-N 1 0 252.406 2.413 10 0 CEAERO CCCn1ncnc1C[C@@H]([NH2+]C)[C@](C)(CC)N(CC)CC ZINC000091599958 180202509 /nfs/dbraw/zinc/20/25/09/180202509.db2.gz NGTIPTFPTBYFRT-ZBFHGGJFSA-N 1 0 295.475 2.329 10 0 CEAERO CCC[NH2+][C@@H](Cc1ncnn1C)[C@](C)(CC)N(CC)CC ZINC000091601506 180203135 /nfs/dbraw/zinc/20/31/35/180203135.db2.gz UIWMSHMJPHLYMY-HOCLYGCPSA-N 1 0 295.475 2.236 10 0 CEAERO CC[C@](C)([C@@H](O)Cc1cc(C)nn1C)[NH+]1CCCCC1 ZINC000091608572 180205069 /nfs/dbraw/zinc/20/50/69/180205069.db2.gz CHQHBCBNOKYRQH-JKSUJKDBSA-N 1 0 279.428 2.287 10 0 CEAERO CC[C@@](C)([C@H](O)Cc1ccc(F)cc1)[NH+]1CCOCC1 ZINC000091611413 180206309 /nfs/dbraw/zinc/20/63/09/180206309.db2.gz UAZRHUVESINQFL-CVEARBPZSA-N 1 0 281.371 2.230 10 0 CEAERO CC[C@@](C)([C@H]([NH3+])c1cccc(F)c1)N1CCOCC1 ZINC000091611905 180206836 /nfs/dbraw/zinc/20/68/36/180206836.db2.gz XRQRLPINLNCCPW-CABCVRRESA-N 1 0 266.360 2.326 10 0 CEAERO CC[NH2+][C@@H](c1ccoc1)[C@](C)(CC)N1CCOCC1 ZINC000091612983 180207060 /nfs/dbraw/zinc/20/70/60/180207060.db2.gz NMIIJGGWIZPIEL-GJZGRUSLSA-N 1 0 266.385 2.431 10 0 CEAERO CC[C@](C)([C@@H](CCC[C@@H]1CCCO1)[NH2+]C)N1CCOCC1 ZINC000091612678 180207291 /nfs/dbraw/zinc/20/72/91/180207291.db2.gz JQTLNGGXZFUZDY-BRWVUGGUSA-N 1 0 298.471 2.425 10 0 CEAERO CC[C@@](C)([C@@H]([NH2+]C)c1cccc(OC)c1)N1CCOCC1 ZINC000091612327 180207302 /nfs/dbraw/zinc/20/73/02/180207302.db2.gz OZKYRICBCGBZQM-IRXDYDNUSA-N 1 0 292.423 2.457 10 0 CEAERO CCc1cc(C[C@H](O)C(CC)(CC)[NH+](C)C)n(CC)n1 ZINC000091613487 180208147 /nfs/dbraw/zinc/20/81/47/180208147.db2.gz HRBXDQVDSAUTJJ-HNNXBMFYSA-N 1 0 281.444 2.489 10 0 CEAERO CCCn1nccc1[C@H](N)C(CC)(CC)[NH+](C)C ZINC000091613987 180208283 /nfs/dbraw/zinc/20/82/83/180208283.db2.gz DDWGLPOVZLXSTA-ZDUSSCGKSA-N 1 0 252.406 2.413 10 0 CEAERO COCC[NH2+]CC[C@@](C)(O)Cc1ccc2ccccc2n1 ZINC000091523875 180177981 /nfs/dbraw/zinc/17/79/81/180177981.db2.gz IJRXSYYMEQKBSW-QGZVFWFLSA-N 1 0 288.391 2.154 10 0 CEAERO [NH3+]C1CC(CNC(=O)c2cccc3ccccc32)C1 ZINC000091524123 180178187 /nfs/dbraw/zinc/17/81/87/180178187.db2.gz OCPWUOXYIPOHSB-UHFFFAOYSA-N 1 0 254.333 2.307 10 0 CEAERO Cc1cc(F)cc(NC(=O)c2ccc(NN)[nH+]c2)c1 ZINC000091527138 180179548 /nfs/dbraw/zinc/17/95/48/180179548.db2.gz ONNCLVDDGOTUTM-UHFFFAOYSA-N 1 0 260.272 2.067 10 0 CEAERO COc1ccc(OC)c([C@@H](O)C(C)(C)[NH+](C)C)c1 ZINC000091528321 180179671 /nfs/dbraw/zinc/17/96/71/180179671.db2.gz PLMLXGAYPBFCFZ-CYBMUJFWSA-N 1 0 253.342 2.077 10 0 CEAERO C[NH+](C)C(C)(C)[C@@H](N)Cc1ccc2ccccc2n1 ZINC000091528396 180179890 /nfs/dbraw/zinc/17/98/90/180179890.db2.gz MTGFCJRMECJSAK-HNNXBMFYSA-N 1 0 257.381 2.445 10 0 CEAERO CC[NH2+][C@H](c1cncnc1)C(C)(C)N(CC)CC ZINC000091531308 180180275 /nfs/dbraw/zinc/18/02/75/180180275.db2.gz RGSQTIFCKOWIMR-CYBMUJFWSA-N 1 0 250.390 2.248 10 0 CEAERO CC[NH+](CC)C(C)(C)[C@@H](N)c1cc(C)cnc1N ZINC000091530337 180180740 /nfs/dbraw/zinc/18/07/40/180180740.db2.gz BGBLYWQIYBISLH-LBPRGKRZSA-N 1 0 250.390 2.092 10 0 CEAERO CCN(CC)C(C)(C)[C@H](Cc1ncnn1CC(C)C)[NH2+]C ZINC000091530639 180180835 /nfs/dbraw/zinc/18/08/35/180180835.db2.gz FCXIGPQJXKHGDE-AWEZNQCLSA-N 1 0 295.475 2.185 10 0 CEAERO CCN[C@@H](c1nccn1C)C(C)(C)[NH+](CC)CC ZINC000091531426 180180885 /nfs/dbraw/zinc/18/08/85/180180885.db2.gz SMZFCHFZNYZPRE-LBPRGKRZSA-N 1 0 252.406 2.191 10 0 CEAERO COc1c(C)cnc(C[C@@H](O)C(C)(C)[NH+]2CCCC2)c1C ZINC000091532960 180181611 /nfs/dbraw/zinc/18/16/11/180181611.db2.gz UWNHOCAHYWKBQW-OAHLLOKOSA-N 1 0 292.423 2.485 10 0 CEAERO CC[NH2+][C@@H](Cc1cccnc1N)C(C)(C)N1CCCC1 ZINC000091535357 180182565 /nfs/dbraw/zinc/18/25/65/180182565.db2.gz NRLOHNRRQDHZQK-AWEZNQCLSA-N 1 0 276.428 2.059 10 0 CEAERO CCC(=O)Nc1cccc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)c1 ZINC000091539596 180183274 /nfs/dbraw/zinc/18/32/74/180183274.db2.gz WZHHWGNNKCBZNW-GHMZBOCLSA-N 1 0 275.352 2.101 10 0 CEAERO Cc1ccc(CN(C)C(=O)[C@@H]2CC[C@H]([NH3+])C2)c(C)c1 ZINC000091542232 180184685 /nfs/dbraw/zinc/18/46/85/180184685.db2.gz CMWXZNVMAUKHCM-HIFRSBDPSA-N 1 0 260.381 2.389 10 0 CEAERO [NH3+][C@@H]1CC[C@H](C(=O)Nc2ccc(-c3c[nH]cn3)cc2)C1 ZINC000091543563 180185055 /nfs/dbraw/zinc/18/50/55/180185055.db2.gz KTBNEXRJRHHUCK-NWDGAFQWSA-N 1 0 270.336 2.143 10 0 CEAERO [NH3+][C@@H]1CC[C@H](C(=O)Nc2c(F)cc(F)cc2F)C1 ZINC000091546520 180186852 /nfs/dbraw/zinc/18/68/52/180186852.db2.gz MVOPTMDZWFGRTL-POYBYMJQSA-N 1 0 258.243 2.170 10 0 CEAERO CCN(Cc1ccc(OC)c(F)c1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091546302 180186994 /nfs/dbraw/zinc/18/69/94/180186994.db2.gz HHUHWFOZIYSLBP-OLZOCXBDSA-N 1 0 294.370 2.310 10 0 CEAERO CC(=O)Nc1ccc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1Cl ZINC000091546627 180187047 /nfs/dbraw/zinc/18/70/47/180187047.db2.gz XDOVUQDDJUZNIO-VHSXEESVSA-N 1 0 295.770 2.364 10 0 CEAERO CC(C)(CNC(=O)[C@H]1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000091546815 180187394 /nfs/dbraw/zinc/18/73/94/180187394.db2.gz ABNOMPJYIPHGEB-GXTWGEPZSA-N 1 0 260.381 2.208 10 0 CEAERO CCC(CC)([C@@H](NC)c1nccn1C)[NH+]1CCCC1 ZINC000091635129 180211345 /nfs/dbraw/zinc/21/13/45/180211345.db2.gz QSWYBOWSJPCDIV-ZDUSSCGKSA-N 1 0 264.417 2.335 10 0 CEAERO CCCn1ncnc1C[C@@H](N)C(CC)(CC)[NH+]1CCCC1 ZINC000091634975 180211637 /nfs/dbraw/zinc/21/16/37/180211637.db2.gz RKMWSNLSDSPBDE-CQSZACIVSA-N 1 0 293.459 2.213 10 0 CEAERO CC[NH+](CC)C1([C@@H](O)c2cnccc2N)CCCC1 ZINC000091639029 180212183 /nfs/dbraw/zinc/21/21/83/180212183.db2.gz VJUVAWDRCAATRN-AWEZNQCLSA-N 1 0 263.385 2.352 10 0 CEAERO CCC[NH2+][C@H](c1nccn1C)C1(N(C)C)CCCC1 ZINC000091638330 180212359 /nfs/dbraw/zinc/21/23/59/180212359.db2.gz AIIIEVTXRXQCKG-CYBMUJFWSA-N 1 0 264.417 2.335 10 0 CEAERO Cc1nc(C[C@@H](N)C2([NH+](C)C)CCCC2)cs1 ZINC000091637327 180212428 /nfs/dbraw/zinc/21/24/28/180212428.db2.gz YDHZJQXUGZBETD-GFCCVEGCSA-N 1 0 253.415 2.196 10 0 CEAERO CC[NH+](CC)C1([C@@H](O)Cc2ccnc(N)c2)CCCC1 ZINC000091638819 180212540 /nfs/dbraw/zinc/21/25/40/180212540.db2.gz AXEMPWQSAYEOFN-AWEZNQCLSA-N 1 0 277.412 2.222 10 0 CEAERO CCC[NH2+][C@@H](Cc1cnn(C)c1)C1(N(C)C)CCCC1 ZINC000091638311 180212661 /nfs/dbraw/zinc/21/26/61/180212661.db2.gz FZWXXIOOXNFDNP-HNNXBMFYSA-N 1 0 278.444 2.205 10 0 CEAERO O[C@@H](Cc1ccncc1)C1([NH+]2CCCC2)CCCC1 ZINC000091640417 180212944 /nfs/dbraw/zinc/21/29/44/180212944.db2.gz PKMCJLPEGZQECB-HNNXBMFYSA-N 1 0 260.381 2.394 10 0 CEAERO CCn1ccnc1[C@H](N)C1([NH+]2CCCC2)CCCC1 ZINC000091640718 180213286 /nfs/dbraw/zinc/21/32/86/180213286.db2.gz MHDHXTCYTMPUDK-ZDUSSCGKSA-N 1 0 262.401 2.311 10 0 CEAERO O=C([C@@H]1CCOC1)C1([NH+]2CCCCC2)CCCC1 ZINC000091641461 180213427 /nfs/dbraw/zinc/21/34/27/180213427.db2.gz OVQHSNUVQDICMN-CYBMUJFWSA-N 1 0 251.370 2.391 10 0 CEAERO CC(C)n1ncnc1C[C@H](O)C1([NH+]2CCCC2)CCCC1 ZINC000091640215 180213516 /nfs/dbraw/zinc/21/35/16/180213516.db2.gz BLRBDJWCEJFMHC-AWEZNQCLSA-N 1 0 292.427 2.171 10 0 CEAERO CCn1cc(C[C@H](N)C2([NH+]3CCCC3)CCCC2)cn1 ZINC000091640588 180213545 /nfs/dbraw/zinc/21/35/45/180213545.db2.gz POWFYHPOXPNUGQ-HNNXBMFYSA-N 1 0 276.428 2.181 10 0 CEAERO C[NH2+][C@@H](CC[C@@H]1CCCO1)C1(N2CCOCC2)CCCC1 ZINC000091643167 180214274 /nfs/dbraw/zinc/21/42/74/180214274.db2.gz MBJKYALSOVQRQD-HOTGVXAUSA-N 1 0 296.455 2.179 10 0 CEAERO C[NH2+][C@H](CC[C@H]1CCCO1)C1(N2CCOCC2)CCCC1 ZINC000091643170 180214371 /nfs/dbraw/zinc/21/43/71/180214371.db2.gz MBJKYALSOVQRQD-HZPDHXFCSA-N 1 0 296.455 2.179 10 0 CEAERO CCCn1ncnc1CC(=O)C1([NH+](C)C)CCC(C)CC1 ZINC000091648325 180215133 /nfs/dbraw/zinc/21/51/33/180215133.db2.gz ASPHPSVUHQVENR-UHFFFAOYSA-N 1 0 292.427 2.310 10 0 CEAERO CCn1ccnc1[C@H](O)C1([NH+](C)C)CCCCC1 ZINC000091646670 180215317 /nfs/dbraw/zinc/21/53/17/180215317.db2.gz PLFTYEWRVHNYLF-LBPRGKRZSA-N 1 0 251.374 2.201 10 0 CEAERO CCCn1ncnc1C[C@@H](O)C1([NH+](C)C)CCC(C)CC1 ZINC000091648416 180215447 /nfs/dbraw/zinc/21/54/47/180215447.db2.gz MMTDZRMUAZMKGZ-NPCAHTBFSA-N 1 0 294.443 2.102 10 0 CEAERO CCn1nccc1[C@H](O)C1([NH+](C)C)CCCCC1 ZINC000091646624 180215475 /nfs/dbraw/zinc/21/54/75/180215475.db2.gz DAZGKEICYDDACC-ZDUSSCGKSA-N 1 0 251.374 2.201 10 0 CEAERO CCn1cc([C@@H](O)C2([NH+](C)C)CCCCC2)cn1 ZINC000091646669 180215569 /nfs/dbraw/zinc/21/55/69/180215569.db2.gz CTLLNHSKNKIKBF-CYBMUJFWSA-N 1 0 251.374 2.201 10 0 CEAERO CCn1cc([C@@H]([NH2+]C)C2(N(C)C)CCCCC2)cn1 ZINC000091647627 180215743 /nfs/dbraw/zinc/21/57/43/180215743.db2.gz VYXWVPKRFZEDSK-CQSZACIVSA-N 1 0 264.417 2.428 10 0 CEAERO CN[C@H](c1nccn1C)C1([NH+](C)C)CCC(C)CC1 ZINC000091649125 180216512 /nfs/dbraw/zinc/21/65/12/180216512.db2.gz IBKDPJMHYIBWDS-JVWICGRDSA-N 1 0 264.417 2.191 10 0 CEAERO Fc1cnc(Cl)nc1NCCC[NH+]1CCCC1 ZINC000091655665 180217897 /nfs/dbraw/zinc/21/78/97/180217897.db2.gz VDMFEBCKRWPTKX-UHFFFAOYSA-N 1 0 258.728 2.167 10 0 CEAERO Cc1cnc(Cl)nc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000091659080 180218799 /nfs/dbraw/zinc/21/87/99/180218799.db2.gz SYKITFVQBPWFCD-LLVKDONJSA-N 1 0 266.776 2.113 10 0 CEAERO CC[NH+](CC)CC[C@@H](O)c1cc(Cl)cnc1N ZINC000091714327 180231596 /nfs/dbraw/zinc/23/15/96/180231596.db2.gz VXLJARKKBCFDGK-LLVKDONJSA-N 1 0 257.765 2.083 10 0 CEAERO CCCn1ccnc1[C@H](CC[NH+](CC)CC)NC ZINC000091716265 180232188 /nfs/dbraw/zinc/23/21/88/180232188.db2.gz KRHYSDLCMSVDDA-ZDUSSCGKSA-N 1 0 252.406 2.286 10 0 CEAERO CCN[C@H](CC[NH+](CC)CC)c1cc(C)cnc1N ZINC000091716431 180232270 /nfs/dbraw/zinc/23/22/70/180232270.db2.gz GPTJZJHSSIIQSL-CQSZACIVSA-N 1 0 264.417 2.355 10 0 CEAERO CCCc1ccc([C@@H]([NH2+]C)[C@H]2CN(C)CCO2)cc1 ZINC000091717705 180232733 /nfs/dbraw/zinc/23/27/33/180232733.db2.gz ADINMKVAKXVBOM-HZPDHXFCSA-N 1 0 262.397 2.230 10 0 CEAERO Cc1ccc([C@H](O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(C)c1 ZINC000091715624 180232888 /nfs/dbraw/zinc/23/28/88/180232888.db2.gz GFMDKIGRARWBTQ-BMFZPTHFSA-N 1 0 261.365 2.200 10 0 CEAERO CC[NH2+][C@@H](Cc1c(C)cc(C)cc1C)[C@H]1CN(C)CCO1 ZINC000091718616 180233318 /nfs/dbraw/zinc/23/33/18/180233318.db2.gz NXYHHANDICAVJQ-ZWKOTPCHSA-N 1 0 290.451 2.463 10 0 CEAERO CC[NH2+][C@@H](c1ccc(C)cc1C)[C@@H]1CN(C)CCO1 ZINC000091718218 180233543 /nfs/dbraw/zinc/23/35/43/180233543.db2.gz WIANEBVHUXBCNG-HOTGVXAUSA-N 1 0 262.397 2.285 10 0 CEAERO CCC[NH2+][C@H](c1ccccc1OC)[C@H]1CN(C)CCO1 ZINC000091718989 180233660 /nfs/dbraw/zinc/23/36/60/180233660.db2.gz RXMZTKJEGSACFW-HZPDHXFCSA-N 1 0 278.396 2.067 10 0 CEAERO CCC[NH2+][C@@H](c1ccc(OC)cc1)[C@@H]1CN(C)CCO1 ZINC000091719254 180234359 /nfs/dbraw/zinc/23/43/59/180234359.db2.gz XTYKEKNSFOURFK-HOTGVXAUSA-N 1 0 278.396 2.067 10 0 CEAERO CCC[NH2+][C@@H](c1ccc(OCC)cc1)[C@@H]1CN(C)CCO1 ZINC000091719086 180234375 /nfs/dbraw/zinc/23/43/75/180234375.db2.gz LXOPXURFXIYDOU-IRXDYDNUSA-N 1 0 292.423 2.457 10 0 CEAERO CCC[NH2+][C@H](Cc1ccc(C)cc1)[C@@H]1CN(C)CCO1 ZINC000091719095 180234432 /nfs/dbraw/zinc/23/44/32/180234432.db2.gz BGEZOBVNNNDIGN-SJORKVTESA-N 1 0 276.424 2.236 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccccc1C)[C@H]1CN(C)CCO1 ZINC000091719276 180234514 /nfs/dbraw/zinc/23/45/14/180234514.db2.gz WWGXPMBMKMCLRJ-DLBZAZTESA-N 1 0 276.424 2.236 10 0 CEAERO CCC[NH2+][C@H](Cc1cc(F)ccc1F)[C@H]1CN(C)CCO1 ZINC000091719273 180234566 /nfs/dbraw/zinc/23/45/66/180234566.db2.gz JIMFEDLILWEPCI-HZPDHXFCSA-N 1 0 298.377 2.206 10 0 CEAERO CCC[NH2+][C@@H](c1cccc(C)c1)[C@@H]1CN(C)CCO1 ZINC000091719202 180234641 /nfs/dbraw/zinc/23/46/41/180234641.db2.gz YCTDZZWNFQSUGW-HOTGVXAUSA-N 1 0 262.397 2.366 10 0 CEAERO CCCc1ccc([C@H](C)[NH2+][C@@H]2CCOC[C@@H]2O)cc1 ZINC000624234976 350238637 /nfs/dbraw/zinc/23/86/37/350238637.db2.gz AGYCNMOYECCRGG-MAZHCROVSA-N 1 0 263.381 2.440 10 0 CEAERO CCc1ccc(C[C@H]([NH2+]C)[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000091720949 180236989 /nfs/dbraw/zinc/23/69/89/180236989.db2.gz ZRXKEFBWGCJUIG-SQNIBIBYSA-N 1 0 288.435 2.243 10 0 CEAERO CC[NH2+][C@H](c1ccccc1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721741 180238292 /nfs/dbraw/zinc/23/82/92/180238292.db2.gz UTMLNRPCTHNWPZ-OWCLPIDISA-N 1 0 260.381 2.200 10 0 CEAERO CC[NH2+][C@@H](C)c1cccn1CC(=O)NC(CC)CC ZINC000091802203 180259347 /nfs/dbraw/zinc/25/93/47/180259347.db2.gz DJZTVOJJBCWFJY-LBPRGKRZSA-N 1 0 265.401 2.463 10 0 CEAERO CCc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)o1 ZINC000091762456 180247862 /nfs/dbraw/zinc/24/78/62/180247862.db2.gz QIRZJBCVJMSYBZ-OCCSQVGLSA-N 1 0 276.380 2.446 10 0 CEAERO CC1(C)C[C@H]([NH2+]C[C@@H]2CCCO[C@H]2c2cn[nH]c2)CO1 ZINC000624243674 350243142 /nfs/dbraw/zinc/24/31/42/350243142.db2.gz YTERRVFTARZQQJ-FPMFFAJLSA-N 1 0 279.384 2.035 10 0 CEAERO COC(=O)c1ccc([C@H](C)SC[C@H](C)C[NH3+])o1 ZINC000091779571 180251422 /nfs/dbraw/zinc/25/14/22/180251422.db2.gz DSGVXBSRPSTCRL-BDAKNGLRSA-N 1 0 257.355 2.455 10 0 CEAERO COC(=O)c1ccc([C@@H](C)[N@H+](C)C2CCOCC2)o1 ZINC000091780672 180252724 /nfs/dbraw/zinc/25/27/24/180252724.db2.gz IOKNXLWOSXZBSW-SNVBAGLBSA-N 1 0 267.325 2.238 10 0 CEAERO CC[NH2+][C@@H](C)c1cccn1CC(=O)NC(C)(C)C ZINC000091801908 180258889 /nfs/dbraw/zinc/25/88/89/180258889.db2.gz RUDYEBMYZVJXBZ-NSHDSACASA-N 1 0 251.374 2.073 10 0 CEAERO CC[NH2+][C@@H](C)c1cccn1CC(=O)N(CC)C1CC1 ZINC000091802260 180259098 /nfs/dbraw/zinc/25/90/98/180259098.db2.gz DGDRMCARGMJTQU-LBPRGKRZSA-N 1 0 263.385 2.170 10 0 CEAERO CC[NH2+][C@H](c1cccc(F)c1F)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721975 180240271 /nfs/dbraw/zinc/24/02/71/180240271.db2.gz GGZDCFDVFSSCGN-DJSGYFEHSA-N 1 0 296.361 2.479 10 0 CEAERO Cc1nc(CN(C)C)nc(C)c1[C@H](C)C[NH2+]C1CC1 ZINC000091723778 180241314 /nfs/dbraw/zinc/24/13/14/180241314.db2.gz OYCKQRUJFOAEGQ-SNVBAGLBSA-N 1 0 262.401 2.011 10 0 CEAERO CCCN(C(=O)c1c(C)noc1C)C1CCC([NH3+])CC1 ZINC000091852041 180272688 /nfs/dbraw/zinc/27/26/88/180272688.db2.gz BVKJLFZQNGUYJD-UHFFFAOYSA-N 1 0 279.384 2.414 10 0 CEAERO CCN(c1ncc(Br)cn1)C1CCC([NH3+])CC1 ZINC000091851358 180272830 /nfs/dbraw/zinc/27/28/30/180272830.db2.gz OBHJYMDDKVZNOX-UHFFFAOYSA-N 1 0 299.216 2.335 10 0 CEAERO CCCN(C(=O)[C@@H]1CCCCO1)C1CCC([NH3+])CC1 ZINC000091851872 180272942 /nfs/dbraw/zinc/27/29/42/180272942.db2.gz QTBFSWFHCJQMDV-RUXDESIVSA-N 1 0 268.401 2.064 10 0 CEAERO CCCN(C(=O)Cc1ccccn1)C1CCC([NH3+])CC1 ZINC000091851981 180273204 /nfs/dbraw/zinc/27/32/04/180273204.db2.gz QTZWZYJHCWNFIY-UHFFFAOYSA-N 1 0 275.396 2.133 10 0 CEAERO CCC(C)(C)NC(=O)[C@@H](C)[N@H+](C)C1CCC(=O)CC1 ZINC000091854081 180273529 /nfs/dbraw/zinc/27/35/29/180273529.db2.gz AGMCRIYOIZOVSK-LLVKDONJSA-N 1 0 268.401 2.123 10 0 CEAERO C[C@@H](C(=O)N1CCCCCC1)[N@H+](C)C1CCC(=O)CC1 ZINC000091853954 180273640 /nfs/dbraw/zinc/27/36/40/180273640.db2.gz HDSOXFCVHYYUJX-ZDUSSCGKSA-N 1 0 280.412 2.221 10 0 CEAERO CCCCNC(=O)Cn1ccc([C@@H](C)[NH2+]CC)c1 ZINC000091805165 180259911 /nfs/dbraw/zinc/25/99/11/180259911.db2.gz XEMFNHXHJPMUPR-GFCCVEGCSA-N 1 0 251.374 2.075 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccn(CC(=O)NC(C)C)c1 ZINC000091805919 180260416 /nfs/dbraw/zinc/26/04/16/180260416.db2.gz QCKGLIQDOBROFF-LBPRGKRZSA-N 1 0 251.374 2.073 10 0 CEAERO CC[NH2+][C@@H](C)c1ccn(Cc2ncnn2C(C)C)c1 ZINC000091805611 180260958 /nfs/dbraw/zinc/26/09/58/180260958.db2.gz YZKBFNFRLYZORO-LBPRGKRZSA-N 1 0 261.373 2.379 10 0 CEAERO CC[C@@H]([NH3+])c1ccn(CC(=O)NCCC(C)C)c1 ZINC000091816260 180261133 /nfs/dbraw/zinc/26/11/33/180261133.db2.gz BIGNNEQEGGWLLC-CYBMUJFWSA-N 1 0 251.374 2.060 10 0 CEAERO CC[C@H]([NH3+])c1ccn(Cc2ncnn2CC(C)C)c1 ZINC000091816277 180261222 /nfs/dbraw/zinc/26/12/22/180261222.db2.gz WDNGNWZNSMCZJI-ZDUSSCGKSA-N 1 0 261.373 2.194 10 0 CEAERO CCC[C@@H](C)NC(=O)Cn1ccc([C@H]([NH3+])CC)c1 ZINC000091816461 180261947 /nfs/dbraw/zinc/26/19/47/180261947.db2.gz BRLLBNIYHMBURR-DGCLKSJQSA-N 1 0 251.374 2.203 10 0 CEAERO CC[C@H]([NH2+]C)c1ccn(Cc2ncnn2C(C)C)c1 ZINC000091816957 180262677 /nfs/dbraw/zinc/26/26/77/180262677.db2.gz FTRASZUVUZQGEE-ZDUSSCGKSA-N 1 0 261.373 2.379 10 0 CEAERO CC[C@@H]([NH2+]C)c1ccn(CC(=O)NC(C)(C)CC)c1 ZINC000091816852 180263130 /nfs/dbraw/zinc/26/31/30/180263130.db2.gz JTUVVDRREAJJSG-CYBMUJFWSA-N 1 0 265.401 2.463 10 0 CEAERO CC[NH2+][C@H](CC)c1ccn(CCCC(=O)NC)c1 ZINC000091817158 180263275 /nfs/dbraw/zinc/26/32/75/180263275.db2.gz CJLGRORCVDRAHP-CYBMUJFWSA-N 1 0 251.374 2.075 10 0 CEAERO CCC[C@H]([NH2+]CC)c1ccn(CC(=O)N(C)CC)c1 ZINC000091823168 180263734 /nfs/dbraw/zinc/26/37/34/180263734.db2.gz WVTSHCSRYPRBEV-AWEZNQCLSA-N 1 0 265.401 2.417 10 0 CEAERO CCC[C@@H]([NH3+])c1ccn(CC(=O)NCCC(C)C)c1 ZINC000091820976 180263906 /nfs/dbraw/zinc/26/39/06/180263906.db2.gz XLLQGFNOFZLGRY-CQSZACIVSA-N 1 0 265.401 2.450 10 0 CEAERO CC(C)[C@H]([NH3+])c1ccn(CC(=O)N(C)C(C)C)c1 ZINC000091825934 180264475 /nfs/dbraw/zinc/26/44/75/180264475.db2.gz DEDROQXOJRJHOK-AWEZNQCLSA-N 1 0 251.374 2.011 10 0 CEAERO CCC[NH2+][C@@H](c1ccn(CCC(=O)NC)c1)C(C)C ZINC000091828259 180264947 /nfs/dbraw/zinc/26/49/47/180264947.db2.gz BIAILQLSLLAVHD-OAHLLOKOSA-N 1 0 265.401 2.321 10 0 CEAERO CC[NH2+][C@H](c1ccn(CC(=O)N[C@@H](C)CC)c1)C1CC1 ZINC000091837831 180267730 /nfs/dbraw/zinc/26/77/30/180267730.db2.gz CLNVBJWGYHSSHX-LRDDRELGSA-N 1 0 277.412 2.463 10 0 CEAERO CC[NH2+][C@H](c1ccn(CCCC(=O)N(C)C)c1)C1CC1 ZINC000091838791 180268205 /nfs/dbraw/zinc/26/82/05/180268205.db2.gz QLURQFZTMBOVSB-INIZCTEOSA-N 1 0 277.412 2.417 10 0 CEAERO C[C@H]1CN(C(=O)c2cc3ccc(F)cc3s2)C[C@@H]1[NH3+] ZINC000235688251 539787338 /nfs/dbraw/zinc/78/73/38/539787338.db2.gz YXZVBDIZAYJGAQ-KWQFWETISA-N 1 0 278.352 2.460 10 0 CEAERO CCN(C(=O)[C@H]1Cc2ccccc21)C1CCC([NH3+])CC1 ZINC000091850179 180271844 /nfs/dbraw/zinc/27/18/44/180271844.db2.gz KVTKKCBWIODZDB-XUJLQICISA-N 1 0 272.392 2.445 10 0 CEAERO Nc1cccc(SC[C@H](O)[C@H]([NH3+])Cc2ccccc2)c1 ZINC000091927338 180287776 /nfs/dbraw/zinc/28/77/76/180287776.db2.gz MISGPGZCKSSUER-CVEARBPZSA-N 1 0 288.416 2.292 10 0 CEAERO CCN(CC)C(=O)N[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC000091962013 180293018 /nfs/dbraw/zinc/29/30/18/180293018.db2.gz GVWXCTVGWODNGA-CYBMUJFWSA-N 1 0 267.417 2.493 10 0 CEAERO CCN(C(=O)N1CCCCC1)C(CC)(CC)C[NH3+] ZINC000091969118 180294463 /nfs/dbraw/zinc/29/44/63/180294463.db2.gz HCOWXTUPUNDATR-UHFFFAOYSA-N 1 0 255.406 2.432 10 0 CEAERO CCC[NH2+]C1CCC(N(C)c2ncnc3nc[nH]c32)CC1 ZINC000091870753 180277486 /nfs/dbraw/zinc/27/74/86/180277486.db2.gz PGXUKDIIWZSCJH-UHFFFAOYSA-N 1 0 288.399 2.100 10 0 CEAERO C[NH2+]C1CCC(Nc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000091873474 180277884 /nfs/dbraw/zinc/27/78/84/180277884.db2.gz HAGCOLKSTALETG-UHFFFAOYSA-N 1 0 282.409 2.033 10 0 CEAERO CC[C@](C)(C[NH3+])[C@](C)(O)Cc1ccc(OC)cc1 ZINC000091907658 180284319 /nfs/dbraw/zinc/28/43/19/180284319.db2.gz AKSWMXGMMDSKGM-HUUCEWRRSA-N 1 0 251.370 2.364 10 0 CEAERO Cc1ccc([C@H](O)C2(C[NH3+])Cc3ccccc3C2)o1 ZINC000091909201 180284612 /nfs/dbraw/zinc/28/46/12/180284612.db2.gz MYGLEHGKPNZMLU-HNNXBMFYSA-N 1 0 257.333 2.365 10 0 CEAERO [NH3+]C[C@]1([C@@H](O)c2ccc(Cl)cc2Cl)CCOC1 ZINC000091909817 180284624 /nfs/dbraw/zinc/28/46/24/180284624.db2.gz LFKHSBVBKZKWLW-NWDGAFQWSA-N 1 0 276.163 2.392 10 0 CEAERO CC(C)(C)c1ccc([C@H](O)[C@]2(C[NH3+])CCOC2)cc1 ZINC000091909665 180284670 /nfs/dbraw/zinc/28/46/70/180284670.db2.gz AANFXCADRPABTF-HOCLYGCPSA-N 1 0 263.381 2.383 10 0 CEAERO Cc1ccc([C@H](O)[C@]2(C[NH3+])CCc3ccccc32)o1 ZINC000091909167 180284720 /nfs/dbraw/zinc/28/47/20/180284720.db2.gz NYTLNAAUUXPDPF-HOTGVXAUSA-N 1 0 257.333 2.464 10 0 CEAERO [NH3+]C[C@@]1([C@@H](O)c2ccccc2F)COc2ccccc2C1 ZINC000091910782 180285092 /nfs/dbraw/zinc/28/50/92/180285092.db2.gz ZLCNMJVERRLCOY-DLBZAZTESA-N 1 0 287.334 2.439 10 0 CEAERO CC1(C)CCC(C[NH3+])([C@@H](O)C2CCOCC2)CC1 ZINC000091913436 180285147 /nfs/dbraw/zinc/28/51/47/180285147.db2.gz PHIYCFTXNQVQAO-ZDUSSCGKSA-N 1 0 255.402 2.319 10 0 CEAERO [NH3+]C[C@]1([C@@H](O)[C@@H]2CCCOC2)CCCc2ccccc21 ZINC000091913560 180285271 /nfs/dbraw/zinc/28/52/71/180285271.db2.gz FPTJOJSLDGTHLJ-HYVNUMGLSA-N 1 0 275.392 2.007 10 0 CEAERO COc1cc(OC)c([C@@H](O)C2(C[NH3+])CCCC2)cc1OC ZINC000091910958 180285281 /nfs/dbraw/zinc/28/52/81/180285281.db2.gz RFECGPKEUFFQNP-OAHLLOKOSA-N 1 0 295.379 2.265 10 0 CEAERO [NH3+]C[C@@]1([C@H](O)c2cccc(F)c2)COc2ccccc2C1 ZINC000091910834 180285394 /nfs/dbraw/zinc/28/53/94/180285394.db2.gz DDGYQCRWLMKVIV-IAGOWNOFSA-N 1 0 287.334 2.439 10 0 CEAERO COc1ccc([C@@H](O)C2(C[NH3+])CCOCC2)cc1Cl ZINC000091922017 180286695 /nfs/dbraw/zinc/28/66/95/180286695.db2.gz SBENEBNGTVTFMX-CYBMUJFWSA-N 1 0 285.771 2.138 10 0 CEAERO [NH3+]C[C@]1([C@]2(O)CCCOCC2)CCc2ccccc2C1 ZINC000091922862 180286909 /nfs/dbraw/zinc/28/69/09/180286909.db2.gz DPDMOPDLHLMQLX-IRXDYDNUSA-N 1 0 275.392 2.052 10 0 CEAERO COc1ccc([C@H](O)C2(C[NH3+])CCOCC2)cc1Cl ZINC000091922016 180286919 /nfs/dbraw/zinc/28/69/19/180286919.db2.gz SBENEBNGTVTFMX-ZDUSSCGKSA-N 1 0 285.771 2.138 10 0 CEAERO CCN(C(=O)N1CCCCC1)[C@H]1CCCC[C@H]1C[NH3+] ZINC000091969552 180295128 /nfs/dbraw/zinc/29/51/28/180295128.db2.gz SPNLCJPZVVNOEL-KBPBESRZSA-N 1 0 267.417 2.432 10 0 CEAERO CCN(C(=O)N1CCCCCC1)[C@H]1CCC[C@H]1C[NH3+] ZINC000091971708 180295523 /nfs/dbraw/zinc/29/55/23/180295523.db2.gz CFMLUWWNMWVYIL-KBPBESRZSA-N 1 0 267.417 2.432 10 0 CEAERO C[C@H]1CCC[C@@](C[NH3+])(NC(=O)N2CCCCCC2)C1 ZINC000091971952 180295536 /nfs/dbraw/zinc/29/55/36/180295536.db2.gz DOKPPIXGGALXJI-DZGCQCFKSA-N 1 0 267.417 2.480 10 0 CEAERO CN(Cc1cccc(C(N)=[NH2+])c1)C(=O)N1CCCCCC1 ZINC000091971977 180295718 /nfs/dbraw/zinc/29/57/18/180295718.db2.gz PKAMJYMADOLHRW-UHFFFAOYSA-N 1 0 288.395 2.398 10 0 CEAERO C[C@@H]1CCCN(C(=O)N(C)CCC2CC[NH2+]CC2)C1 ZINC000091973183 180296427 /nfs/dbraw/zinc/29/64/27/180296427.db2.gz XRXORDKOLDDKBF-CYBMUJFWSA-N 1 0 267.417 2.160 10 0 CEAERO CC[C@@H]1CN(C(=O)N2CCC(C)CC2)[C@@H](CC)C[NH2+]1 ZINC000091991344 180299943 /nfs/dbraw/zinc/29/99/43/180299943.db2.gz YNISVJSJICHWHG-KGLIPLIRSA-N 1 0 267.417 2.301 10 0 CEAERO CCN(C)C(=O)Nc1ccc(C(N)=[NH2+])c(C(F)(F)F)c1 ZINC000091993450 180300435 /nfs/dbraw/zinc/30/04/35/180300435.db2.gz AUGZJHIVBNGHBY-UHFFFAOYSA-N 1 0 288.273 2.473 10 0 CEAERO CCOC(=O)CCCCCOc1ccc(C)nc1C[NH3+] ZINC000091993898 180301382 /nfs/dbraw/zinc/30/13/82/180301382.db2.gz SOGVZVBBXCUELJ-UHFFFAOYSA-N 1 0 280.368 2.351 10 0 CEAERO Cc1ccc(O[C@@H]2CCOC2)c(C[NH2+]CC(C)C)n1 ZINC000091996316 180302374 /nfs/dbraw/zinc/30/23/74/180302374.db2.gz PRFSYLRXTAHOPS-CYBMUJFWSA-N 1 0 264.369 2.303 10 0 CEAERO CCC[NH2+][C@H](C)c1cccc(-n2cc(C(N)=O)cn2)c1 ZINC000092024207 180308908 /nfs/dbraw/zinc/30/89/08/180308908.db2.gz NJHFRJHNAKYVGD-LLVKDONJSA-N 1 0 272.352 2.032 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)N[C@@H](C)c1ccc(SC)cc1 ZINC000092133295 180331250 /nfs/dbraw/zinc/33/12/50/180331250.db2.gz UUCKISMELNTVFA-QWRGUYRKSA-N 1 0 266.410 2.441 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)Nc1cccc(Cl)c1-n1cccn1 ZINC000092133949 180331616 /nfs/dbraw/zinc/33/16/16/180331616.db2.gz JCIUBOOBSWKOEL-JTQLQIEISA-N 1 0 292.770 2.320 10 0 CEAERO CCC(=O)Nc1cccc(NC(=O)[C@H](C)C[NH2+]C)c1C ZINC000092133764 180331691 /nfs/dbraw/zinc/33/16/91/180331691.db2.gz ABVNBAHSTUPSOC-SNVBAGLBSA-N 1 0 277.368 2.138 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)N(Cc1ccco1)C1CCCC1 ZINC000092134398 180331988 /nfs/dbraw/zinc/33/19/88/180331988.db2.gz FKSPDFQHVOAXAC-GFCCVEGCSA-N 1 0 264.369 2.406 10 0 CEAERO COC(C)(C)c1noc([C@@H](C[NH3+])c2ccccc2)n1 ZINC000092137909 180333660 /nfs/dbraw/zinc/33/36/60/180333660.db2.gz KEOXPVYSDKMDGQ-NSHDSACASA-N 1 0 261.325 2.042 10 0 CEAERO COC(C)(C)c1noc(CC2([NH3+])CCCCC2)n1 ZINC000092137786 180333902 /nfs/dbraw/zinc/33/39/02/180333902.db2.gz JXCDMITWNGHMJO-UHFFFAOYSA-N 1 0 253.346 2.155 10 0 CEAERO C[C@@H]1C[NH+](CC(=O)Nc2cc(Cl)ccc2N)C[C@H]1C ZINC000092080689 180318133 /nfs/dbraw/zinc/31/81/33/180318133.db2.gz SIIAGYKEASNWEQ-NXEZZACHSA-N 1 0 281.787 2.449 10 0 CEAERO COc1ccc(N)cc1NC(=O)CC[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000092081257 180319946 /nfs/dbraw/zinc/31/99/46/180319946.db2.gz XXNATQXTGJYVLH-RYUDHWBXSA-N 1 0 291.395 2.194 10 0 CEAERO C[C@H]1C[NH+](CCOc2ccccc2C(N)=S)C[C@@H]1C ZINC000092085518 180320105 /nfs/dbraw/zinc/32/01/05/180320105.db2.gz HGGRQATYHGOXGB-RYUDHWBXSA-N 1 0 278.421 2.287 10 0 CEAERO COc1ccc([C@H](C[NH3+])N2C[C@H](C)[C@H](C)C2)cc1OC ZINC000092083096 180320327 /nfs/dbraw/zinc/32/03/27/180320327.db2.gz DECAWTONQFIYRV-SCRDCRAPSA-N 1 0 278.396 2.291 10 0 CEAERO C[C@@H]1C[NH+](CC(=O)c2ccc3c(c2)CCO3)C[C@H]1C ZINC000092086338 180320685 /nfs/dbraw/zinc/32/06/85/180320685.db2.gz JEGUCXVIVSWPKQ-VXGBXAGGSA-N 1 0 259.349 2.392 10 0 CEAERO COc1ccc([C@H](C[NH3+])N2C[C@H](C)[C@H](C)C2)c(OC)c1 ZINC000092083485 180320738 /nfs/dbraw/zinc/32/07/38/180320738.db2.gz WVJQGXCBEWGQGF-ZOWXZIJZSA-N 1 0 278.396 2.291 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)Nc2ccccc2OC(F)F)C1 ZINC000092201881 180342721 /nfs/dbraw/zinc/34/27/21/180342721.db2.gz SRVMULAFKNXWTN-BDAKNGLRSA-N 1 0 268.263 2.130 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000092201367 180343011 /nfs/dbraw/zinc/34/30/11/180343011.db2.gz XUXBMZNCQKQKKZ-RKDXNWHRSA-N 1 0 286.253 2.427 10 0 CEAERO CC(C)C(=O)Nc1ccc(NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)cc1 ZINC000092202694 180343367 /nfs/dbraw/zinc/34/33/67/180343367.db2.gz HZUCUOVWHUUHBT-VXGBXAGGSA-N 1 0 287.363 2.123 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)N(Cc2ccco2)CC(F)(F)F)C1 ZINC000092204529 180343854 /nfs/dbraw/zinc/34/38/54/180343854.db2.gz XDWZMGPPUIMNIS-VHSXEESVSA-N 1 0 288.269 2.074 10 0 CEAERO CCCOc1ccc(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)cc1 ZINC000092207294 180344160 /nfs/dbraw/zinc/34/41/60/180344160.db2.gz ROHURGHWHUKQCB-NEPJUHHUSA-N 1 0 260.337 2.317 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1)c1ccccc1Cl ZINC000092206704 180344249 /nfs/dbraw/zinc/34/42/49/180344249.db2.gz VPZQNJRINAXCMI-GMTAPVOTSA-N 1 0 264.756 2.421 10 0 CEAERO CCC(CC)N(CC(F)(F)F)C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092205184 180344408 /nfs/dbraw/zinc/34/44/08/180344408.db2.gz TULNGQILKDVULY-NXEZZACHSA-N 1 0 278.318 2.469 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)Nc2c3nsnc3ccc2Cl)C1 ZINC000092208364 180344698 /nfs/dbraw/zinc/34/46/98/180344698.db2.gz MOIDTKLBLCMJCI-BQBZGAKWSA-N 1 0 294.767 2.187 10 0 CEAERO CSc1ccccc1C(=O)NCC[NH2+]C(C)C ZINC000092231936 180348195 /nfs/dbraw/zinc/34/81/95/180348195.db2.gz DCJHNEUQCSEZAA-UHFFFAOYSA-N 1 0 252.383 2.136 10 0 CEAERO O=C(NCC[C@@H]1CCC[NH2+]C1)[C@@H]1Cc2ccccc2S1 ZINC000092232114 180348486 /nfs/dbraw/zinc/34/84/86/180348486.db2.gz DTZYOLJOOIHKJJ-WFASDCNBSA-N 1 0 290.432 2.209 10 0 CEAERO CSc1ccccc1C(=O)N[C@H](C[NH3+])C(C)C ZINC000092232373 180348736 /nfs/dbraw/zinc/34/87/36/180348736.db2.gz PDPZQIFVZINIFA-LLVKDONJSA-N 1 0 252.383 2.122 10 0 CEAERO CN(C(=O)[C@@H]1Cc2ccccc2S1)[C@H]1CCC[C@@H]1C[NH3+] ZINC000092232464 180348936 /nfs/dbraw/zinc/34/89/36/180348936.db2.gz ALXCHRLYIBVBKE-IPYPFGDCSA-N 1 0 290.432 2.289 10 0 CEAERO C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2S1)c1nncn1C ZINC000092243852 180351602 /nfs/dbraw/zinc/35/16/02/180351602.db2.gz NXCFQBVRJCDJDW-PWSUYJOCSA-N 1 0 274.393 2.183 10 0 CEAERO c1ccc2c(c1)C[C@H](C[NH2+]CCN1CCCC1)S2 ZINC000092244062 180352501 /nfs/dbraw/zinc/35/25/01/180352501.db2.gz WOYCOGUXRHAWBI-CQSZACIVSA-N 1 0 262.422 2.389 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C)N1C[C@@H]1Cc2ccccc2S1 ZINC000092267825 180355916 /nfs/dbraw/zinc/35/59/16/180355916.db2.gz VCKRSJJANNJLIR-BZPMIXESSA-N 1 0 262.422 2.386 10 0 CEAERO C[C@@H]([NH3+])Cc1nccn1C[C@@H]1Cc2ccccc2S1 ZINC000092271376 180356214 /nfs/dbraw/zinc/35/62/14/180356214.db2.gz WPERWTDVMGLRLE-YPMHNXCESA-N 1 0 273.405 2.490 10 0 CEAERO C[C@H](CCO)C[NH2+]C[C@@H]1CSc2ccccc21 ZINC000092275798 180356267 /nfs/dbraw/zinc/35/62/67/180356267.db2.gz QVOARPOJCPCNED-VXGBXAGGSA-N 1 0 251.395 2.484 10 0 CEAERO C[C@H]([NH2+]C[C@@H]1CSc2ccccc21)c1nncn1C ZINC000092275374 180356292 /nfs/dbraw/zinc/35/62/92/180356292.db2.gz SFVCGDGSYPTHFP-WDEREUQCSA-N 1 0 274.393 2.355 10 0 CEAERO C[C@@H]1[NH2+]CCCN(C[C@@H]2CSc3ccccc32)C1=O ZINC000092292895 180357799 /nfs/dbraw/zinc/35/77/99/180357799.db2.gz MHBYGXLBLQQZSV-NWDGAFQWSA-N 1 0 276.405 2.086 10 0 CEAERO OC[C@@H]([NH2+]C[C@@H]1COc2ccccc21)c1ccccc1 ZINC000092300911 180358528 /nfs/dbraw/zinc/35/85/28/180358528.db2.gz RAZYEQAKCCRDDC-GDBMZVCRSA-N 1 0 269.344 2.486 10 0 CEAERO c1cn(C[C@H]2COc3ccccc32)c(C[NH2+]C2CC2)n1 ZINC000092304797 180360589 /nfs/dbraw/zinc/36/05/89/180360589.db2.gz HBTDBBHUZOLNIC-LBPRGKRZSA-N 1 0 269.348 2.311 10 0 CEAERO C[C@@H](O)C[N@@H+]1CCN(CCc2ccccc2Cl)C[C@@H]1C ZINC000105824623 186074768 /nfs/dbraw/zinc/07/47/68/186074768.db2.gz JFYFTCGYUVTWKM-UONOGXRCSA-N 1 0 296.842 2.269 10 0 CEAERO COc1ccc(Cc2noc([C@H]3C=C[C@H]([NH3+])C3)n2)cc1 ZINC000092181543 180339078 /nfs/dbraw/zinc/33/90/78/180339078.db2.gz WTUPQNYZJKYYRX-RYUDHWBXSA-N 1 0 271.320 2.040 10 0 CEAERO CC[C@@H]1CN(Cc2ccc(Cl)nc2)CC[N@@H+]1CCOC ZINC000105836645 186076754 /nfs/dbraw/zinc/07/67/54/186076754.db2.gz LQOFODBHKRHMBX-CQSZACIVSA-N 1 0 297.830 2.278 10 0 CEAERO CCOCCN1CC[N@H+](CCCOC(C)C)C[C@H]1CC ZINC000105914802 186088750 /nfs/dbraw/zinc/08/87/50/186088750.db2.gz SAHDJRZQBURDNG-MRXNPFEDSA-N 1 0 286.460 2.234 10 0 CEAERO COc1ccccc1-n1nc(C)c(C[C@H](C)[NH3+])c1C ZINC000092320064 180361923 /nfs/dbraw/zinc/36/19/23/180361923.db2.gz AILFXUNHPAGJEA-JTQLQIEISA-N 1 0 259.353 2.387 10 0 CEAERO Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC[NH2+]C(C)C ZINC000092320501 180361968 /nfs/dbraw/zinc/36/19/68/180361968.db2.gz HLKGCTVICKGDBT-UHFFFAOYSA-N 1 0 287.411 2.436 10 0 CEAERO CC[NH2+]C[C@@H](C)c1c(C)nn(-c2cc(C)ncn2)c1C ZINC000092322792 180362241 /nfs/dbraw/zinc/36/22/41/180362241.db2.gz RIMGRHRGVAUSRK-SNVBAGLBSA-N 1 0 273.384 2.301 10 0 CEAERO C[NH+](C)C[C@H]1CN(Cc2cccc(Cl)c2)CCO1 ZINC000105926780 186092195 /nfs/dbraw/zinc/09/21/95/186092195.db2.gz GGDADTTYXLZOJC-AWEZNQCLSA-N 1 0 268.788 2.102 10 0 CEAERO CC[N@@H+]1CCC[C@H]([C@@H](C)NCc2c(C)nn(C)c2C)C1 ZINC000092325052 180362432 /nfs/dbraw/zinc/36/24/32/180362432.db2.gz XJRJYRAAVXDJLM-DOMZBBRYSA-N 1 0 278.444 2.247 10 0 CEAERO COc1ccc2c(c1)[C@@H]([NH2+]CCc1nncn1C)CCC2 ZINC000092384027 180373089 /nfs/dbraw/zinc/37/30/89/180373089.db2.gz FRMHNXCPJFTTIU-HNNXBMFYSA-N 1 0 286.379 2.033 10 0 CEAERO CC1(C)C[C@@H]1[NH2+][C@@H]1CC(=O)N(C2CCCCCC2)C1=O ZINC000106071184 186101940 /nfs/dbraw/zinc/10/19/40/186101940.db2.gz OBHYARIRFYRKAK-OLZOCXBDSA-N 1 0 278.396 2.225 10 0 CEAERO CCOC(=O)C[C@@H](C)[NH2+][C@@H](C)c1c(C)noc1C ZINC000092339386 180365232 /nfs/dbraw/zinc/36/52/32/180365232.db2.gz ZVAZGTQPJZYEKY-BDAKNGLRSA-N 1 0 254.330 2.284 10 0 CEAERO Cc1cc(C[NH2+]CC2CC(O)C2)c2ccccc2n1 ZINC000092345869 180366515 /nfs/dbraw/zinc/36/65/15/180366515.db2.gz WBGSTYBOVKGJGW-UHFFFAOYSA-N 1 0 256.349 2.404 10 0 CEAERO Cc1noc(C)c1CN1C[C@H](C2CC2)[NH2+]C[C@@H]1C(C)C ZINC000092342867 180366722 /nfs/dbraw/zinc/36/67/22/180366722.db2.gz GZPFRSDQMXAJQQ-HZPDHXFCSA-N 1 0 277.412 2.500 10 0 CEAERO Clc1cccc(CN2CCC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000092366726 180369060 /nfs/dbraw/zinc/36/90/60/180369060.db2.gz BFOZDCWIJNZNTA-STQMWFEESA-N 1 0 265.788 2.451 10 0 CEAERO CC(C)[NH2+]Cc1cn(Cc2ccnc3ccccc23)nn1 ZINC000092366027 180369459 /nfs/dbraw/zinc/36/94/59/180369459.db2.gz VEYPHFJGRZOUNG-UHFFFAOYSA-N 1 0 281.363 2.373 10 0 CEAERO Nc1cccc(C[NH+]2CCC(C(F)(F)F)CC2)n1 ZINC000092371237 180370018 /nfs/dbraw/zinc/37/00/18/180370018.db2.gz NINZVJPBHWPXDS-UHFFFAOYSA-N 1 0 259.275 2.438 10 0 CEAERO C[C@@H]1Cc2ccccc2N1Cc1cccc(NN)[nH+]1 ZINC000092370046 180370364 /nfs/dbraw/zinc/37/03/64/180370364.db2.gz XFSMRSFYEDUPND-LLVKDONJSA-N 1 0 254.337 2.318 10 0 CEAERO NNc1cccc(COc2ccc3c(c2)CCC3)[nH+]1 ZINC000092371619 180370891 /nfs/dbraw/zinc/37/08/91/180370891.db2.gz KOTPYTQHSOBUOL-UHFFFAOYSA-N 1 0 255.321 2.435 10 0 CEAERO CCCCS(=O)(=O)[C@@H]1CCc2ccc(OC)cc2[C@H]1[NH3+] ZINC000092388675 180374419 /nfs/dbraw/zinc/37/44/19/180374419.db2.gz NESFJXWYVHAQQG-HUUCEWRRSA-N 1 0 297.420 2.225 10 0 CEAERO COc1ccc2c(c1)[C@](CO)([NH2+]CC(C)C)CCC2 ZINC000092387530 180374478 /nfs/dbraw/zinc/37/44/78/180374478.db2.gz HNWKGROCORNFLM-INIZCTEOSA-N 1 0 263.381 2.465 10 0 CEAERO CC(C)[C@H](CO)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000092391954 180375379 /nfs/dbraw/zinc/37/53/79/180375379.db2.gz FSJRCBKODTYSNA-JQWIXIFHSA-N 1 0 251.326 2.083 10 0 CEAERO C[C@H]1CCC[C@@H](C[NH3+])N1Cc1cc(Cl)ccn1 ZINC000092417245 180381093 /nfs/dbraw/zinc/38/10/93/180381093.db2.gz VYGSSLZEIOTWIW-GWCFXTLKSA-N 1 0 253.777 2.437 10 0 CEAERO CCNc1cc[nH+]c(Cn2nc(CC)nc2CC)c1 ZINC000092419942 180381825 /nfs/dbraw/zinc/38/18/25/180381825.db2.gz AAMUOXHKZZJMAX-UHFFFAOYSA-N 1 0 259.357 2.278 10 0 CEAERO CCNc1cc[nH+]c(Cn2ncc(=O)c3ccccc32)c1 ZINC000092419684 180382566 /nfs/dbraw/zinc/38/25/66/180382566.db2.gz BVBYWHKTGAIMTG-UHFFFAOYSA-N 1 0 280.331 2.272 10 0 CEAERO C[NH2+][C@@H]1c2cc(OC)ccc2CC[C@@H]1n1nc(C)nc1C ZINC000092386152 180374063 /nfs/dbraw/zinc/37/40/63/180374063.db2.gz PTUAGONYMLHAIR-JKSUJKDBSA-N 1 0 286.379 2.352 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@H](N1CCC(OC)CC1)CC2 ZINC000092385539 180374075 /nfs/dbraw/zinc/37/40/75/180374075.db2.gz XKPCZJAJYXJFLT-SJORKVTESA-N 1 0 290.407 2.121 10 0 CEAERO COc1ccc2c(c1)[C@](CN)([NH2+]CC(C)C)CCC2 ZINC000092384824 180374196 /nfs/dbraw/zinc/37/41/96/180374196.db2.gz DOGDAUAXPQNALW-INIZCTEOSA-N 1 0 262.397 2.431 10 0 CEAERO CC(C)[N@@H+]1CCC[C@H]([NH+](CC(=O)[O-])C(C)(C)C)CC1 ZINC000092450658 180387740 /nfs/dbraw/zinc/38/77/40/180387740.db2.gz OBNSYRMPTLFVOI-ZDUSSCGKSA-N 1 0 270.417 2.434 10 0 CEAERO CC[N@@H+]1CCC[C@@H]([NH+](CC(=O)[O-])C(C)(C)C)CC1 ZINC000092450936 180388194 /nfs/dbraw/zinc/38/81/94/180388194.db2.gz CFTVWNNOCJAMRD-GFCCVEGCSA-N 1 0 256.390 2.046 10 0 CEAERO Cc1ccc(C)c([C@H](C)[NH2+]CC(C)(C)NS(C)(=O)=O)c1 ZINC000109041975 186241040 /nfs/dbraw/zinc/24/10/40/186241040.db2.gz IRDAXMITRAQNMJ-ZDUSSCGKSA-N 1 0 298.452 2.282 10 0 CEAERO CCCO[C@@H]1CCC[N@H+](C[C@H](O)COC(C)(C)C)CC1 ZINC000108493747 186219850 /nfs/dbraw/zinc/21/98/50/186219850.db2.gz PUNCUUZTPLRYGA-LSDHHAIUSA-N 1 0 287.444 2.444 10 0 CEAERO CC(C)c1ccc([C@H](O)C[NH2+]C[C@H](C)CO)cc1 ZINC000109122485 186244675 /nfs/dbraw/zinc/24/46/75/186244675.db2.gz NIPKPLOBFJJJHW-SWLSCSKDSA-N 1 0 251.370 2.061 10 0 CEAERO C[NH2+][C@@H]1CCCCC[C@@H]1c1nc(C[C@@H]2CCCO2)no1 ZINC000109495587 186256888 /nfs/dbraw/zinc/25/68/88/186256888.db2.gz XUIXYHUEVWSCGC-RWMBFGLXSA-N 1 0 279.384 2.427 10 0 CEAERO C[NH2+][C@@H](C)Cc1nc(Cc2ccc(Cl)cc2)no1 ZINC000109494920 186256932 /nfs/dbraw/zinc/25/69/32/186256932.db2.gz JDLBOZXFEQPSEZ-VIFPVBQESA-N 1 0 265.744 2.464 10 0 CEAERO CC[NH2+][C@H](C)[C@H](CC)c1nc(-c2cnccn2)no1 ZINC000109507107 186257332 /nfs/dbraw/zinc/25/73/32/186257332.db2.gz ONQCSBRDJKYZPX-ZJUUUORDSA-N 1 0 261.329 2.018 10 0 CEAERO C[NH2+][C@H]1CCCCC[C@@H]1c1nc(-c2ncccn2)no1 ZINC000109505339 186257790 /nfs/dbraw/zinc/25/77/90/186257790.db2.gz MHOCRAJMFZDPIG-QWRGUYRKSA-N 1 0 273.340 2.162 10 0 CEAERO C[NH2+][C@H](C)[C@@H](C)c1nc(Cc2cccs2)no1 ZINC000109510473 186258033 /nfs/dbraw/zinc/25/80/33/186258033.db2.gz INWKQXDUMTXRMN-RKDXNWHRSA-N 1 0 251.355 2.433 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@@H]1c1nc(Cc2ccncc2)no1 ZINC000109508932 186258083 /nfs/dbraw/zinc/25/80/83/186258083.db2.gz GQZWCJJYYFTHPL-QWHCGFSZSA-N 1 0 272.352 2.430 10 0 CEAERO CC[NH2+][C@@H]1CCC[C@H]1c1nc(Cc2ccncc2)no1 ZINC000109509034 186258093 /nfs/dbraw/zinc/25/80/93/186258093.db2.gz LWHIYSAMFNFYQV-CHWSQXEVSA-N 1 0 272.352 2.301 10 0 CEAERO COc1ccccc1Cc1noc([C@@H]2CCC[C@@H]2[NH3+])n1 ZINC000109513256 186258292 /nfs/dbraw/zinc/25/82/92/186258292.db2.gz LITVOOHZEIGLJG-NEPJUHHUSA-N 1 0 273.336 2.264 10 0 CEAERO C[NH2+][C@H](C)[C@@H](c1nc(Cc2ccncc2)no1)C(C)C ZINC000109509215 186258580 /nfs/dbraw/zinc/25/85/80/186258580.db2.gz REULETQANUAMCS-RISCZKNCSA-N 1 0 274.368 2.403 10 0 CEAERO C[NH2+][C@@H](C)[C@H](C)c1nc(COc2ccccc2)no1 ZINC000109509508 186258608 /nfs/dbraw/zinc/25/86/08/186258608.db2.gz PTMTWMFEAIPSOW-QWRGUYRKSA-N 1 0 261.325 2.360 10 0 CEAERO CC[C@@H]([NH3+])Cc1nc(-c2cc(F)cc(F)c2)no1 ZINC000109520454 186259175 /nfs/dbraw/zinc/25/91/75/186259175.db2.gz FKBATAFWHHGWBM-SNVBAGLBSA-N 1 0 253.252 2.295 10 0 CEAERO C[NH2+][C@H]1CCC[C@H]1c1nc(-c2ncccc2C)no1 ZINC000109519057 186259439 /nfs/dbraw/zinc/25/94/39/186259439.db2.gz VDDSTGOHOOEHOR-MNOVXSKESA-N 1 0 258.325 2.296 10 0 CEAERO Clc1ccc2c(c1)nccc2NC[C@H]1COCC[NH2+]1 ZINC000236051255 539803367 /nfs/dbraw/zinc/80/33/67/539803367.db2.gz UHWAJQKULJJXNA-NSHDSACASA-N 1 0 277.755 2.289 10 0 CEAERO CC(C)COC(=O)NCc1ccc(C[NH3+])cc1F ZINC000109540581 186261163 /nfs/dbraw/zinc/26/11/63/186261163.db2.gz ZSQWXZXCRUQEPV-UHFFFAOYSA-N 1 0 254.305 2.167 10 0 CEAERO Cc1ccc(C(=O)NCc2ccc(C[NH3+])cc2F)cc1O ZINC000109540176 186261175 /nfs/dbraw/zinc/26/11/75/186261175.db2.gz NOEZWMCSLDORFM-UHFFFAOYSA-N 1 0 288.322 2.228 10 0 CEAERO COc1ccc(CNC2=[NH+]C[C@@H](C)S2)c(OC)c1 ZINC000109554664 186262470 /nfs/dbraw/zinc/26/24/70/186262470.db2.gz OYHXCUPUBSYEQC-SECBINFHSA-N 1 0 266.366 2.285 10 0 CEAERO C[NH2+][C@H]1C(=O)Nc2cc(-n3ccc(C(F)(F)F)n3)ccc21 ZINC000109573085 186263945 /nfs/dbraw/zinc/26/39/45/186263945.db2.gz NESAWHOEBBIISW-LLVKDONJSA-N 1 0 296.252 2.104 10 0 CEAERO COC(=O)c1ccccc1N(C)[C@H]1CCC[C@@H]1C[NH3+] ZINC000109684774 186268968 /nfs/dbraw/zinc/26/89/68/186268968.db2.gz FXBBBOGMLIOMRO-YPMHNXCESA-N 1 0 262.353 2.037 10 0 CEAERO C[C@@H]1C[C@@H]([NH2+]CCc2nncn2C)CC(C)(C)C1 ZINC000109420773 186251480 /nfs/dbraw/zinc/25/14/80/186251480.db2.gz BUPJWGDFVNTZRG-VXGBXAGGSA-N 1 0 250.390 2.162 10 0 CEAERO Cc1cccc2c1OCCC[C@@H]2[NH2+]CCc1nncn1C ZINC000109422553 186251869 /nfs/dbraw/zinc/25/18/69/186251869.db2.gz RVCCJZIQEAVWNK-AWEZNQCLSA-N 1 0 286.379 2.170 10 0 CEAERO Cn1cnnc1CC[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000109422369 186251878 /nfs/dbraw/zinc/25/18/78/186251878.db2.gz VDAFYNDIAWEUJO-BFHYXJOUSA-N 1 0 262.401 2.306 10 0 CEAERO Cc1cc(C)c(CN2CC[NH+](CC(N)=S)CC2)c(C)c1 ZINC000109442531 186252861 /nfs/dbraw/zinc/25/28/61/186252861.db2.gz VQLSVSWGEMZFCI-UHFFFAOYSA-N 1 0 291.464 2.016 10 0 CEAERO CC[C@@H](C[NH3+])N1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000109448610 186253145 /nfs/dbraw/zinc/25/31/45/186253145.db2.gz XOAKDAIFYKNUDB-INIZCTEOSA-N 1 0 295.471 2.228 10 0 CEAERO C[C@@H](NC(=O)C1([NH3+])CCC1)c1cc(F)ccc1F ZINC000147608074 539803610 /nfs/dbraw/zinc/80/36/10/539803610.db2.gz LUSUCILXAVTWMB-MRVPVSSYSA-N 1 0 254.280 2.023 10 0 CEAERO Cc1cc(C2CCCC2)nc([C@H](C)N2CC[NH2+]CC2)n1 ZINC000109475778 186254630 /nfs/dbraw/zinc/25/46/30/186254630.db2.gz BZBJMZLKDXENFB-ZDUSSCGKSA-N 1 0 274.412 2.409 10 0 CEAERO CCc1nc(C(C)(C)N2CC[NH2+]CC2)sc1C ZINC000109472993 186254915 /nfs/dbraw/zinc/25/49/15/186254915.db2.gz PQESKBDXJPRGSK-UHFFFAOYSA-N 1 0 253.415 2.154 10 0 CEAERO CC[NH+](CC)CCc1noc([C@@H](C(C)=O)C(C)C)n1 ZINC000109477901 186255175 /nfs/dbraw/zinc/25/51/75/186255175.db2.gz WYFWHYSSBULTMS-CYBMUJFWSA-N 1 0 267.373 2.283 10 0 CEAERO C[C@H](c1nccc(C2CCCC2)n1)N1CC[NH2+]CC1 ZINC000109475603 186255342 /nfs/dbraw/zinc/25/53/42/186255342.db2.gz GRKNQUAUOMTHAL-GFCCVEGCSA-N 1 0 260.385 2.100 10 0 CEAERO Cc1nnc(S[C@H](C)C[NH2+]C2CCCC2)n1C ZINC000110250043 186289022 /nfs/dbraw/zinc/28/90/22/186289022.db2.gz YUWQHKBCPOJDKT-SECBINFHSA-N 1 0 254.403 2.136 10 0 CEAERO CCC[C@@H](Cc1nc(-c2ccncc2)no1)[NH2+]CC ZINC000110461189 186297008 /nfs/dbraw/zinc/29/70/08/186297008.db2.gz HBVCILSPNJYNSY-LBPRGKRZSA-N 1 0 260.341 2.452 10 0 CEAERO CCN(C(=O)CC[C@H]([NH3+])c1ccccc1)[C@H](C)COC ZINC000110460404 186297591 /nfs/dbraw/zinc/29/75/91/186297591.db2.gz RVOCSCZAMWTUGY-HIFRSBDPSA-N 1 0 278.396 2.350 10 0 CEAERO Cc1cccc(-c2noc(C[NH2+]C3CCCC3)n2)n1 ZINC000110473263 186297707 /nfs/dbraw/zinc/29/77/07/186297707.db2.gz BVHJDMLNNPRIPJ-UHFFFAOYSA-N 1 0 258.325 2.472 10 0 CEAERO CC[C@@H]([NH3+])[C@H](C)c1nc(Cc2nc(C)cs2)no1 ZINC000110470293 186298138 /nfs/dbraw/zinc/29/81/38/186298138.db2.gz QSUYFRLYBACGSQ-DTWKUNHWSA-N 1 0 266.370 2.266 10 0 CEAERO CC[C@H]([NH2+]C)[C@@H](C)c1nc(Cc2ccncc2)no1 ZINC000110470182 186298466 /nfs/dbraw/zinc/29/84/66/186298466.db2.gz FKEGLEBFONHYKA-PWSUYJOCSA-N 1 0 260.341 2.157 10 0 CEAERO CNc1ncc2c(n1)CC[N@@H+](CCc1ccccc1)C2 ZINC000110476296 186298678 /nfs/dbraw/zinc/29/86/78/186298678.db2.gz SYYPLKSNIXCQBG-UHFFFAOYSA-N 1 0 268.364 2.119 10 0 CEAERO CCOc1ccc([C@H](CO[C@H]2CCOC2)[NH2+]C)cc1 ZINC000110526685 186300698 /nfs/dbraw/zinc/30/06/98/186300698.db2.gz HATPPLABERNPRM-GJZGRUSLSA-N 1 0 265.353 2.151 10 0 CEAERO CC[NH2+]C[C@H](O[C@@H]1CCOC1)c1ccccc1OC ZINC000110530257 186302090 /nfs/dbraw/zinc/30/20/90/186302090.db2.gz NUPQEDSKCGXYEC-DOMZBBRYSA-N 1 0 265.353 2.151 10 0 CEAERO COc1ccc([C@@H](C[NH2+]C2CC2)O[C@@H]2CCOC2)cc1 ZINC000110529973 186302157 /nfs/dbraw/zinc/30/21/57/186302157.db2.gz KTSVGQSIXGPTEY-HZPDHXFCSA-N 1 0 277.364 2.294 10 0 CEAERO Cc1cc(C)c(C[NH2+]C2CC2)c(O[C@@H]2CCOC2)n1 ZINC000110532416 186302263 /nfs/dbraw/zinc/30/22/63/186302263.db2.gz UQLVHDNFGBSIIA-CYBMUJFWSA-N 1 0 262.353 2.118 10 0 CEAERO C[C@@H]([NH2+]CCN(C)C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000110550901 186303700 /nfs/dbraw/zinc/30/37/00/186303700.db2.gz RMLIKVCSPZROHA-ZIAGYGMSSA-N 1 0 299.459 2.173 10 0 CEAERO O[C@]1(c2cccc(OC(F)(F)F)c2)CCC[NH2+]C1 ZINC000110551269 186303733 /nfs/dbraw/zinc/30/37/33/186303733.db2.gz WNUABNCOERYVGB-LLVKDONJSA-N 1 0 261.243 2.156 10 0 CEAERO [NH3+]Cc1ccc(CC(=O)NCCc2ccc(F)cc2)cc1 ZINC000110611854 186305331 /nfs/dbraw/zinc/30/53/31/186305331.db2.gz BCZAMCKNGJDSQQ-UHFFFAOYSA-N 1 0 286.350 2.186 10 0 CEAERO CCOc1cc(NC[C@@H]2CC[N@H+](C)C2)c(N)cc1F ZINC000110633223 186308079 /nfs/dbraw/zinc/30/80/79/186308079.db2.gz ASCMNNKUTFQPRD-JTQLQIEISA-N 1 0 267.348 2.170 10 0 CEAERO C[C@H]([NH3+])C1CCN(Cc2noc(-c3cccs3)n2)CC1 ZINC000110649220 186309851 /nfs/dbraw/zinc/30/98/51/186309851.db2.gz XGCDYCDDTQSLGO-JTQLQIEISA-N 1 0 292.408 2.357 10 0 CEAERO C[C@H]1CCCN(C(=O)[C@@H](C[NH3+])Cc2ccccc2)CC1 ZINC000110808172 186325906 /nfs/dbraw/zinc/32/59/06/186325906.db2.gz GEVYNJZAFYCTPP-GOEBONIOSA-N 1 0 274.408 2.453 10 0 CEAERO COC(=O)[C@@](C)(CC[N@H+](C)CC1CCCC1)NC1CC1 ZINC000110840853 186328597 /nfs/dbraw/zinc/32/85/97/186328597.db2.gz RUNPYDWLDZNARH-MRXNPFEDSA-N 1 0 282.428 2.182 10 0 CEAERO CN(C(=O)c1cc(Cl)c(Cl)[nH]1)[C@H]1CCC[NH2+]C1 ZINC000110926874 186333162 /nfs/dbraw/zinc/33/31/62/186333162.db2.gz OAHHNJZITPHTSK-ZETCQYMHSA-N 1 0 276.167 2.146 10 0 CEAERO CN(Cc1ccc(-n2ccnc2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000110930732 186333389 /nfs/dbraw/zinc/33/33/89/186333389.db2.gz UNQHYFANRCUQMR-MRXNPFEDSA-N 1 0 270.380 2.056 10 0 CEAERO Cc1ccc(NC(=O)CN(C)[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000110930953 186333493 /nfs/dbraw/zinc/33/34/93/186333493.db2.gz NUIHEWXSZKVECA-GFCCVEGCSA-N 1 0 295.814 2.271 10 0 CEAERO COc1ccc([C@@H](C)N(C)[C@@H]2CCC[NH2+]C2)c(OC)c1 ZINC000110926123 186333498 /nfs/dbraw/zinc/33/34/98/186333498.db2.gz DDMFHGZGJCXHIE-CHWSQXEVSA-N 1 0 278.396 2.449 10 0 CEAERO Cc1ccc(-c2noc(CN(C)[C@H]3CCC[NH2+]C3)n2)cc1 ZINC000110931501 186333831 /nfs/dbraw/zinc/33/38/31/186333831.db2.gz QUMHDBUUJFDOSC-AWEZNQCLSA-N 1 0 286.379 2.229 10 0 CEAERO CCCN(C(=O)[C@@H]1CC=CCC1)[C@H]1CCC[NH2+]C1 ZINC000110940238 186334917 /nfs/dbraw/zinc/33/49/17/186334917.db2.gz BKZFJLBWMQNYAB-KGLIPLIRSA-N 1 0 250.386 2.333 10 0 CEAERO CCCN(C[C@H]1COc2ccccc2O1)[C@@H]1CCC[NH2+]C1 ZINC000110946660 186335543 /nfs/dbraw/zinc/33/55/43/186335543.db2.gz PNXLADOAEFJUBL-CABCVRRESA-N 1 0 290.407 2.290 10 0 CEAERO CCCN(Cc1nccn1C(F)F)[C@@H]1CCC[NH2+]C1 ZINC000110945908 186335794 /nfs/dbraw/zinc/33/57/94/186335794.db2.gz KVMQGFLHUGVGLX-LLVKDONJSA-N 1 0 272.343 2.242 10 0 CEAERO CCCN(c1ncccc1C(=O)OCC)[C@@H]1CCC[NH2+]C1 ZINC000110948639 186336012 /nfs/dbraw/zinc/33/60/12/186336012.db2.gz IAWKBVATJFHBKS-CYBMUJFWSA-N 1 0 291.395 2.227 10 0 CEAERO CCc1c(C)nc(Cc2nc3ccccc3[nH]2)[nH+]c1NN ZINC000110951250 186336309 /nfs/dbraw/zinc/33/63/09/186336309.db2.gz NETOOHOUEBGPTM-UHFFFAOYSA-N 1 0 282.351 2.100 10 0 CEAERO CCCNC(=O)[C@@H](C)Oc1cc(C)ccc1[C@@H](C)[NH3+] ZINC000110957676 186336322 /nfs/dbraw/zinc/33/63/22/186336322.db2.gz GWTPNLJULPXELU-VXGBXAGGSA-N 1 0 264.369 2.308 10 0 CEAERO CC[C@@H](C)NC(=O)COc1cc(C)ccc1[C@H](C)[NH3+] ZINC000110957800 186336421 /nfs/dbraw/zinc/33/64/21/186336421.db2.gz AJZIXJKHIJSGHS-NEPJUHHUSA-N 1 0 264.369 2.308 10 0 CEAERO CCCCNC(=O)COc1cc(C)ccc1[C@H](C)[NH3+] ZINC000110958152 186336607 /nfs/dbraw/zinc/33/66/07/186336607.db2.gz NKFSBDJYCLHNCC-LBPRGKRZSA-N 1 0 264.369 2.310 10 0 CEAERO Cc1ccc([C@@H](C)[NH3+])c(OCCCC(=O)N(C)C)c1 ZINC000110958467 186336655 /nfs/dbraw/zinc/33/66/55/186336655.db2.gz GCZRLMRDPBOMKL-GFCCVEGCSA-N 1 0 264.369 2.262 10 0 CEAERO COCCCN(C)[C@H](C[NH3+])c1ccc(C)c(F)c1 ZINC000110977881 186338857 /nfs/dbraw/zinc/33/88/57/186338857.db2.gz XUCAXNJQJYXKPS-CQSZACIVSA-N 1 0 254.349 2.102 10 0 CEAERO CCN(CCOC)[C@@H](C[NH3+])c1ccc(C)c(F)c1 ZINC000110977464 186339157 /nfs/dbraw/zinc/33/91/57/186339157.db2.gz OMNPIWTYFBVJII-AWEZNQCLSA-N 1 0 254.349 2.102 10 0 CEAERO Cc1ccc([C@H](C[NH3+])N2CCOC(C)(C)C2)cc1F ZINC000110977163 186339251 /nfs/dbraw/zinc/33/92/51/186339251.db2.gz GMNFDPSFKMMZTC-AWEZNQCLSA-N 1 0 266.360 2.245 10 0 CEAERO CC[C@@H]1CN(C(=O)c2ccc(N)cc2Cl)CC[N@@H+]1C ZINC000110700850 186314645 /nfs/dbraw/zinc/31/46/45/186314645.db2.gz BIOWIXHJNJYUNV-LLVKDONJSA-N 1 0 281.787 2.088 10 0 CEAERO C[N@@H+]1CCN(C2N=NC(=S)N2C2CCCC2)CC1(C)C ZINC000110732287 186317196 /nfs/dbraw/zinc/31/71/96/186317196.db2.gz XHFZDHBMTYJXNO-UHFFFAOYSA-N 1 0 295.456 2.212 10 0 CEAERO Cc1ccc([C@@H](O)C[N@H+]2CCN(C)C(C)(C)C2)cc1C ZINC000110736437 186319083 /nfs/dbraw/zinc/31/90/83/186319083.db2.gz MZWSWSHPZPPBLR-INIZCTEOSA-N 1 0 276.424 2.363 10 0 CEAERO CCOC(CC[N@H+](C)CCc1ccncc1)OCC ZINC000110785118 186324192 /nfs/dbraw/zinc/32/41/92/186324192.db2.gz FTZSYSXSYDHABQ-UHFFFAOYSA-N 1 0 266.385 2.345 10 0 CEAERO COc1cc(NC[C@@H](C)C[NH+]2CCCC2)ccc1N ZINC000111056076 186349402 /nfs/dbraw/zinc/34/94/02/186349402.db2.gz HLELJRDPRYERNW-GFCCVEGCSA-N 1 0 263.385 2.421 10 0 CEAERO Nc1cccc(Cl)c1C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000111012805 186342805 /nfs/dbraw/zinc/34/28/05/186342805.db2.gz OHHSYBBRGCMEJN-NSHDSACASA-N 1 0 293.798 2.233 10 0 CEAERO CN(CC1CC[NH+](C)CC1)C(=O)c1c(N)cccc1Cl ZINC000111012886 186343448 /nfs/dbraw/zinc/34/34/48/186343448.db2.gz LLPDHLFEFALIFJ-UHFFFAOYSA-N 1 0 295.814 2.336 10 0 CEAERO CC[C@H]1COCCN1[C@@H](C[NH3+])c1cccc(F)c1F ZINC000111039330 186346575 /nfs/dbraw/zinc/34/65/75/186346575.db2.gz ZZHCYDJBWSZKTF-GWCFXTLKSA-N 1 0 270.323 2.075 10 0 CEAERO NC(=[NH2+])c1cc(F)ccc1Oc1ccc(CO)cc1 ZINC000111035407 186347238 /nfs/dbraw/zinc/34/72/38/186347238.db2.gz PJNHSRRELMROLM-UHFFFAOYSA-N 1 0 260.268 2.394 10 0 CEAERO CN([C@@H](C[NH3+])c1cccc(F)c1F)[C@@H]1CCSC1 ZINC000111039224 186347319 /nfs/dbraw/zinc/34/73/19/186347319.db2.gz RUNGYJREGWCFHO-SKDRFNHKSA-N 1 0 272.364 2.402 10 0 CEAERO Cc1cnccc1NC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000111043730 186347474 /nfs/dbraw/zinc/34/74/74/186347474.db2.gz RIXKBTSMLCSAFG-OAHLLOKOSA-N 1 0 267.332 2.216 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1cccnc1)N(C)C[C@@H]1CCCOC1 ZINC000111154331 186361019 /nfs/dbraw/zinc/36/10/19/186361019.db2.gz ROEVTLKJPWNLKX-NUEKZKHPSA-N 1 0 277.412 2.218 10 0 CEAERO C[C@@H](c1ccccc1)[C@@H](CN)[N@H+](C)CC1CCOCC1 ZINC000111159886 186361829 /nfs/dbraw/zinc/36/18/29/186361829.db2.gz QEHYBDOWQHUADK-WMLDXEAASA-N 1 0 276.424 2.476 10 0 CEAERO O=C(C[NH2+]C[C@@H]1C[C@H]2CC[C@@H]1C2)NC1CCCC1 ZINC000111088326 186351830 /nfs/dbraw/zinc/35/18/30/186351830.db2.gz IXHYJFKYQLGHBU-XQQFMLRXSA-N 1 0 250.386 2.071 10 0 CEAERO CCCOCCOCCCC(=O)Nc1ccc(C[NH3+])cc1 ZINC000111106484 186352739 /nfs/dbraw/zinc/35/27/39/186352739.db2.gz GZZADNBPNBLQSE-UHFFFAOYSA-N 1 0 294.395 2.307 10 0 CEAERO [NH3+]C1CCC(CC(=O)NC[C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000111104903 186352859 /nfs/dbraw/zinc/35/28/59/186352859.db2.gz QSPIYPMOGSWAEI-VSSFCTHRSA-N 1 0 264.413 2.446 10 0 CEAERO CCCOCCOC[C@H]([NH3+])c1cc(OC)ccc1OC ZINC000111107651 186352960 /nfs/dbraw/zinc/35/29/60/186352960.db2.gz UOPZSZVDOPPBRX-AWEZNQCLSA-N 1 0 283.368 2.147 10 0 CEAERO CCCOCCOC[C@@H]([NH2+]C)c1ccc(OC)cc1OC ZINC000111108190 186353417 /nfs/dbraw/zinc/35/34/17/186353417.db2.gz OOMQWVQJZVIZSM-OAHLLOKOSA-N 1 0 297.395 2.408 10 0 CEAERO CCOCCN(CC)c1ccc(C[NH2+]C(C)(C)C)nn1 ZINC000111123620 186355264 /nfs/dbraw/zinc/35/52/64/186355264.db2.gz XLMGFVRHAFZNGK-UHFFFAOYSA-N 1 0 280.416 2.228 10 0 CEAERO CC(C)Oc1cc(N(C)CC[NH+](C)C)c(N)cc1F ZINC000111131771 186356133 /nfs/dbraw/zinc/35/61/33/186356133.db2.gz QHZACJMVYHDVDK-UHFFFAOYSA-N 1 0 269.364 2.193 10 0 CEAERO C[C@@H](C(=O)c1ccc(F)cc1F)N(C)CC[NH+](C)C ZINC000111139642 186357253 /nfs/dbraw/zinc/35/72/53/186357253.db2.gz JDVJKUCJQYJHCD-JTQLQIEISA-N 1 0 270.323 2.029 10 0 CEAERO CCc1ccc([C@@H](O)[C@H](C)N(C)CC[NH+](C)C)cc1 ZINC000111142675 186359327 /nfs/dbraw/zinc/35/93/27/186359327.db2.gz HBHJIXUJYNVKNJ-BBRMVZONSA-N 1 0 264.413 2.164 10 0 CEAERO CC[C@@H]1CC[C@@H](C(=O)[O-])[C@H]([N@H+](C)CCC[NH+](C)C)C1 ZINC000111152331 186359915 /nfs/dbraw/zinc/35/99/15/186359915.db2.gz ZWBPEWPXDANNJZ-MGPQQGTHSA-N 1 0 270.417 2.149 10 0 CEAERO C[C@H]1CCC[NH2+][C@@H]1CNC(=O)[C@@H]1CCOc2ccccc21 ZINC000111186418 186367826 /nfs/dbraw/zinc/36/78/26/186367826.db2.gz MFVDWDGISTWQNB-NWANDNLSSA-N 1 0 288.391 2.057 10 0 CEAERO C[C@H]1CCC(=O)[C@@H](C[N@H+](C)C[C@@H]2CCCOC2)C1 ZINC000111171092 186364830 /nfs/dbraw/zinc/36/48/30/186364830.db2.gz DEEMRHCSRLACOT-MELADBBJSA-N 1 0 253.386 2.350 10 0 CEAERO C[C@@H]1CN(C[C@]2(C[NH2+]C(C)(C)C)CCCOC2)C[C@@H](C)O1 ZINC000111323862 186396620 /nfs/dbraw/zinc/39/66/20/186396620.db2.gz OSVSAPYEUINKBF-BFYDXBDKSA-N 1 0 298.471 2.281 10 0 CEAERO CCN(C[C@]1(C[NH3+])CCCOC1)c1ccccc1F ZINC000111327130 186398948 /nfs/dbraw/zinc/39/89/48/186398948.db2.gz XEEPRSVQBLKJHB-OAHLLOKOSA-N 1 0 266.360 2.408 10 0 CEAERO FC(F)(F)[C@@]1(c2nc(-c3cccs3)n[nH]2)CC[NH2+]C1 ZINC000111241492 186374884 /nfs/dbraw/zinc/37/48/84/186374884.db2.gz HQSOFQKLVROADJ-JTQLQIEISA-N 1 0 288.298 2.327 10 0 CEAERO O=C(Nc1cc(F)ccc1F)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111242936 186375005 /nfs/dbraw/zinc/37/50/05/186375005.db2.gz IHHXILZPEWJJGV-LLVKDONJSA-N 1 0 294.223 2.445 10 0 CEAERO Fc1cccc2[nH]c([C@@]3(C(F)(F)F)CC[NH2+]C3)nc21 ZINC000111239846 186375037 /nfs/dbraw/zinc/37/50/37/186375037.db2.gz RKUMYQTUZKNBPL-LLVKDONJSA-N 1 0 273.233 2.495 10 0 CEAERO CCOc1ccc(OCC)c(NC(=O)[C@H]2C[NH2+]C[C@H]2C)c1 ZINC000111262988 186380123 /nfs/dbraw/zinc/38/01/23/186380123.db2.gz XHKJVUNSPYVUMV-YPMHNXCESA-N 1 0 292.379 2.278 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000111262883 186380474 /nfs/dbraw/zinc/38/04/74/186380474.db2.gz XUUMKJRYXZXOTB-GZMMTYOYSA-N 1 0 272.270 2.499 10 0 CEAERO CCOCc1ccccc1NC(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000111264305 186381556 /nfs/dbraw/zinc/38/15/56/186381556.db2.gz MBHCELHIIAZQME-AAEUAGOBSA-N 1 0 262.353 2.017 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccccc1OC(F)F ZINC000111263883 186381589 /nfs/dbraw/zinc/38/15/89/186381589.db2.gz YQLLQCYUSMNGRR-BDAKNGLRSA-N 1 0 270.279 2.082 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc(OC(F)F)c1 ZINC000111265707 186382141 /nfs/dbraw/zinc/38/21/41/186382141.db2.gz PUIWOWYTEURUGV-GZMMTYOYSA-N 1 0 270.279 2.082 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc(N2CCCC2)c1 ZINC000111267503 186382396 /nfs/dbraw/zinc/38/23/96/186382396.db2.gz XGIBZPMTBRXHDA-SWLSCSKDSA-N 1 0 273.380 2.081 10 0 CEAERO CCOc1ccc(NC(=O)[C@H]2C[NH2+]C[C@H]2C)c(C)c1 ZINC000111267719 186382428 /nfs/dbraw/zinc/38/24/28/186382428.db2.gz IJEQKQPPYZZXQJ-YPMHNXCESA-N 1 0 262.353 2.188 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(N(C)C)c(Cl)c1 ZINC000111267698 186382430 /nfs/dbraw/zinc/38/24/30/186382430.db2.gz KBRKDXIVNGHVDK-GXSJLCMTSA-N 1 0 281.787 2.200 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000111267688 186382800 /nfs/dbraw/zinc/38/28/00/186382800.db2.gz RVUNHTRABHFZPE-DGCLKSJQSA-N 1 0 291.370 2.220 10 0 CEAERO CC[C@H](NC(=O)[C@@H]1C[NH2+]C[C@@H]1C)c1ccc(OC)cc1 ZINC000111266144 186382990 /nfs/dbraw/zinc/38/29/90/186382990.db2.gz MRFKPHOEAROXIF-GLQYFDAESA-N 1 0 276.380 2.118 10 0 CEAERO CCN(Cc1ccc(OC)c(F)c1)C(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000111268149 186383071 /nfs/dbraw/zinc/38/30/71/186383071.db2.gz ZUQMKZAXCQPZHQ-WCQYABFASA-N 1 0 294.370 2.038 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000111268556 186383890 /nfs/dbraw/zinc/38/38/90/186383890.db2.gz NDNBTNNEUHAGLX-GXFFZTMASA-N 1 0 266.772 2.154 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(Cc1ccc(F)cc1F)C1CC1 ZINC000111268699 186383920 /nfs/dbraw/zinc/38/39/20/186383920.db2.gz BZERBZRBJIJUNJ-QMTHXVAHSA-N 1 0 294.345 2.311 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC=C(c2ccccc2)CC1 ZINC000111268534 186383938 /nfs/dbraw/zinc/38/39/38/186383938.db2.gz OOUHRKTZOYCOBV-CZUORRHYSA-N 1 0 270.376 2.158 10 0 CEAERO C[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1C)c1cccc(Cl)c1 ZINC000111270142 186384038 /nfs/dbraw/zinc/38/40/38/186384038.db2.gz FAFIEZGFTFFIBL-KWBADKCTSA-N 1 0 266.772 2.373 10 0 CEAERO C[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1C)c1ccccc1Cl ZINC000111271507 186384210 /nfs/dbraw/zinc/38/42/10/186384210.db2.gz UKCXSIMUVYQQTE-NHCYSSNCSA-N 1 0 266.772 2.373 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000111268706 186384231 /nfs/dbraw/zinc/38/42/31/186384231.db2.gz VCUIXMIAEYGIIF-IAQYHMDHSA-N 1 0 276.355 2.172 10 0 CEAERO CCN(Cc1cccc(C)c1)C(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000111268779 186384543 /nfs/dbraw/zinc/38/45/43/186384543.db2.gz TYWGXHYMYBSGQW-HIFRSBDPSA-N 1 0 260.381 2.199 10 0 CEAERO CCOC(=O)c1cc(C)sc1NC(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000111272980 186384847 /nfs/dbraw/zinc/38/48/47/186384847.db2.gz LZLXRQPHGUXDEL-GZMMTYOYSA-N 1 0 296.392 2.027 10 0 CEAERO CC[C@@H](C)c1nc(C)c(C[NH2+]CCOC)c(C)n1 ZINC000111275447 186384909 /nfs/dbraw/zinc/38/49/09/186384909.db2.gz JWMGYDAJTOMOTL-SNVBAGLBSA-N 1 0 251.374 2.343 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)NCc1cccc2ccccc21 ZINC000111272389 186385232 /nfs/dbraw/zinc/38/52/32/186385232.db2.gz JAUZNMQUGJQZKQ-WBMJQRKESA-N 1 0 268.360 2.312 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)N1CCC(C(C)(C)C)CC1 ZINC000111272280 186385748 /nfs/dbraw/zinc/38/57/48/186385748.db2.gz WJDGCKYKXXOMGB-WCQYABFASA-N 1 0 252.402 2.127 10 0 CEAERO C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(C[NH3+])cn1 ZINC000111282015 186388311 /nfs/dbraw/zinc/38/83/11/186388311.db2.gz GMFKWSNXGPCYGE-RISCZKNCSA-N 1 0 261.369 2.191 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1C(=O)c1ccc2[nH]ccc2c1 ZINC000111289140 186391099 /nfs/dbraw/zinc/39/10/99/186391099.db2.gz DAKIEHQGCQFKJH-CQSZACIVSA-N 1 0 271.364 2.382 10 0 CEAERO CCN(CC(C)C)c1nc2sccn2c1CC[NH3+] ZINC000111479172 186422136 /nfs/dbraw/zinc/42/21/36/186422136.db2.gz BIXQHWYUESTOKQ-UHFFFAOYSA-N 1 0 266.414 2.379 10 0 CEAERO CC(C)CCN(C)c1nc2sccn2c1CC[NH3+] ZINC000111485981 186423115 /nfs/dbraw/zinc/42/31/15/186423115.db2.gz IUKCHGFXTTXSIJ-UHFFFAOYSA-N 1 0 266.414 2.379 10 0 CEAERO C[C@@H]([NH3+])Cc1ccc(N(C)C2CCOCC2)c(F)c1 ZINC000111494737 186423892 /nfs/dbraw/zinc/42/38/92/186423892.db2.gz RAPNJXMQVQQHMY-LLVKDONJSA-N 1 0 266.360 2.331 10 0 CEAERO C[C@@H]([NH3+])Cc1c(Sc2nncs2)nc2ccccn21 ZINC000111582471 186429789 /nfs/dbraw/zinc/42/97/89/186429789.db2.gz QBOZCAWAUFGRRD-MRVPVSSYSA-N 1 0 291.405 2.227 10 0 CEAERO CCOC(=O)[C@H](C)C[NH2+]CCOC1CCCCC1 ZINC000111638323 186435229 /nfs/dbraw/zinc/43/52/29/186435229.db2.gz KRHRHXXVJAIZTM-GFCCVEGCSA-N 1 0 257.374 2.125 10 0 CEAERO CCN(CC)C(=O)[C@@H](C)N1CCCC[C@@H]1C[NH2+]CC(C)C ZINC000111704806 186447619 /nfs/dbraw/zinc/44/76/19/186447619.db2.gz ZLMHPTIPMLEJEV-HZPDHXFCSA-N 1 0 297.487 2.343 10 0 CEAERO CC(C)C[NH2+]C[C@H]1CCCCN1CC(=O)NC1CCCC1 ZINC000111704654 186448316 /nfs/dbraw/zinc/44/83/16/186448316.db2.gz BHKGIDHFHRXVTK-MRXNPFEDSA-N 1 0 295.471 2.145 10 0 CEAERO C[C@@H]1CCC[C@@](C[NH3+])(NC(=O)c2ccc3c(c2)OCO3)C1 ZINC000111369994 186407390 /nfs/dbraw/zinc/40/73/90/186407390.db2.gz HXXMKZQYNDASEE-BDJLRTHQSA-N 1 0 290.363 2.053 10 0 CEAERO CCNC(=O)c1cc(N[C@]2(C[NH3+])CCC[C@@H](C)C2)ccn1 ZINC000111379019 186409449 /nfs/dbraw/zinc/40/94/49/186409449.db2.gz GLEMDSBGLRPXBF-MLGOLLRUSA-N 1 0 290.411 2.151 10 0 CEAERO CC1CCC(C[NH3+])(Nc2ccnc(C(=O)N(C)C)c2)CC1 ZINC000111379190 186409518 /nfs/dbraw/zinc/40/95/18/186409518.db2.gz RRIYPHUISXDXOV-UHFFFAOYSA-N 1 0 290.411 2.103 10 0 CEAERO O[C@@H](c1ccccc1Br)[C@H]1CCC[NH2+]1 ZINC000069843635 363007048 /nfs/dbraw/zinc/00/70/48/363007048.db2.gz XRRRKHHXHDZXAL-MNOVXSKESA-N 1 0 256.143 2.235 10 0 CEAERO CN(Cc1ccncc1Br)[C@H]1CCC[NH2+]CC1 ZINC000629519559 351386661 /nfs/dbraw/zinc/38/66/61/351386661.db2.gz UOBMDQCAHHTVAO-LBPRGKRZSA-N 1 0 298.228 2.418 10 0 CEAERO COCCCC[NH+]1CCC(Cn2cccn2)CC1 ZINC000117880543 186758793 /nfs/dbraw/zinc/75/87/93/186758793.db2.gz PDBWVOJXATZXMK-UHFFFAOYSA-N 1 0 251.374 2.022 10 0 CEAERO CCS(=O)(=O)c1ccc(N2CCC[C@H](CC[NH3+])C2)cc1 ZINC000070073953 363027349 /nfs/dbraw/zinc/02/73/49/363027349.db2.gz FMELNNLQJGEHMO-CYBMUJFWSA-N 1 0 296.436 2.045 10 0 CEAERO C[C@H]([NH2+]Cc1cnc(N(C)C)n1C)c1cccs1 ZINC000070142869 363034892 /nfs/dbraw/zinc/03/48/92/363034892.db2.gz YXIKQLHMFPKEEU-JTQLQIEISA-N 1 0 264.398 2.398 10 0 CEAERO CO[C@@H]1C[NH2+][C@](C)(c2nc(-c3ccc(F)cc3)no2)C1 ZINC000629678449 351464773 /nfs/dbraw/zinc/46/47/73/351464773.db2.gz OMRZNHYZOSFMTP-FZMZJTMJSA-N 1 0 277.299 2.099 10 0 CEAERO C[C@@H](NC(=O)C(C)(C)[C@H]1CCC[NH2+]C1)c1nccs1 ZINC000120201459 186882233 /nfs/dbraw/zinc/88/22/33/186882233.db2.gz JQSBNMHTUQRFBJ-MNOVXSKESA-N 1 0 281.425 2.346 10 0 CEAERO C[C@@H]1CN(C(=O)[C@H]2CCCC3(CC3)C2)C[C@@H]1C[NH3+] ZINC000630091882 351615254 /nfs/dbraw/zinc/61/52/54/351615254.db2.gz IMYSHQKVOUGEAQ-AGIUHOORSA-N 1 0 250.386 2.010 10 0 CEAERO CCOc1ccc(-c2cc(N3CCC[C@H]([NH3+])C3)n[nH]2)cc1 ZINC000070460124 363087154 /nfs/dbraw/zinc/08/71/54/363087154.db2.gz BELWFCREDXRVKN-ZDUSSCGKSA-N 1 0 286.379 2.403 10 0 CEAERO CCOc1ccc(-c2ccc(N3CCC[C@@H]([NH3+])C3)nn2)cc1 ZINC000070458940 363087223 /nfs/dbraw/zinc/08/72/23/363087223.db2.gz BJVHRWXTKHQZKT-CQSZACIVSA-N 1 0 298.390 2.470 10 0 CEAERO CCc1cc(N[C@@H]2CCC[NH2+]C2)nc(-c2cccnc2)n1 ZINC000070456517 363084402 /nfs/dbraw/zinc/08/44/02/363084402.db2.gz ONCWNYXHDILOKM-CQSZACIVSA-N 1 0 283.379 2.265 10 0 CEAERO Cc1nc(-c2cccc(F)c2)nc(N2CC[C@@H]([NH3+])C2)c1C ZINC000070455816 363084753 /nfs/dbraw/zinc/08/47/53/363084753.db2.gz NWSHJLCYOVSLRK-CQSZACIVSA-N 1 0 286.354 2.437 10 0 CEAERO CO[C@H]1CN(Cc2ccsc2Cl)[C@@](C)(C[NH3+])C1 ZINC000630367198 351714675 /nfs/dbraw/zinc/71/46/75/351714675.db2.gz MTGXUHDJOFIXRL-ZYHUDNBSSA-N 1 0 274.817 2.340 10 0 CEAERO CCc1nsc(N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)n1 ZINC000630526987 351773390 /nfs/dbraw/zinc/77/33/90/351773390.db2.gz PCHKMJQLKKCLKF-SFYZADRCSA-N 1 0 294.346 2.064 10 0 CEAERO [NH3+]C[C@H]1CCCN1C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000122322331 187026878 /nfs/dbraw/zinc/02/68/78/187026878.db2.gz OKSSAKMXXRQNEH-SNVBAGLBSA-N 1 0 287.190 2.486 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cccc(C)n1 ZINC000124107821 187123058 /nfs/dbraw/zinc/12/30/58/187123058.db2.gz URRJPSVBEVHIJZ-CYBMUJFWSA-N 1 0 276.384 2.338 10 0 CEAERO CCOC(C[N@@H+]1CCC[C@H](n2cc(C)cn2)C1)OCC ZINC000124209760 187126903 /nfs/dbraw/zinc/12/69/03/187126903.db2.gz SBVCCWVRELZYLD-AWEZNQCLSA-N 1 0 281.400 2.228 10 0 CEAERO C[C@@H](C[NH2+][C@H](Cc1ccccc1)C1CC1)N1CCOCC1 ZINC000123243276 187080083 /nfs/dbraw/zinc/08/00/83/187080083.db2.gz WCGBKYRDTDMXSE-MAUKXSAKSA-N 1 0 288.435 2.318 10 0 CEAERO C[C@H](C[NH2+][C@H](C)c1cc(F)ccc1F)N1CCOCC1 ZINC000123258920 187080853 /nfs/dbraw/zinc/08/08/53/187080853.db2.gz MJVHUJKKLUABGD-VXGBXAGGSA-N 1 0 284.350 2.336 10 0 CEAERO CC(=O)c1cccc(NC(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)c1 ZINC000123934012 187114931 /nfs/dbraw/zinc/11/49/31/187114931.db2.gz MTEQGMLPWFDUIL-ABAIWWIYSA-N 1 0 289.379 2.303 10 0 CEAERO CC(=O)c1c(F)cccc1N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000123996259 187117426 /nfs/dbraw/zinc/11/74/26/187117426.db2.gz RTYFPPHCCHRDDX-HZMBPMFUSA-N 1 0 264.344 2.415 10 0 CEAERO CCN(CC)c1ccc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000070574941 363097447 /nfs/dbraw/zinc/09/74/47/363097447.db2.gz YAJLAWUHCZAJNB-OLZOCXBDSA-N 1 0 290.411 2.384 10 0 CEAERO Cc1ccccc1[C@H](C)[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC000148515287 539828065 /nfs/dbraw/zinc/82/80/65/539828065.db2.gz GBWAEDJCFXYUAH-HRCADAONSA-N 1 0 293.407 2.202 10 0 CEAERO C[C@H]1[NH2+]CC[C@@H]1C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000092953009 539830878 /nfs/dbraw/zinc/83/08/78/539830878.db2.gz DOYSXBUSBHVUSJ-SFXRXQKFSA-N 1 0 278.318 2.222 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CC[NH2+][C@H]1C)c1cc(F)ccc1F ZINC000092951664 539831442 /nfs/dbraw/zinc/83/14/42/539831442.db2.gz AMHZXHCTTBEKBD-ATZCPNFKSA-N 1 0 268.307 2.140 10 0 CEAERO C[C@H](NC(=O)[C@H]1CC[NH2+][C@@H]1C)c1ccc(F)c(F)c1 ZINC000092951853 539831474 /nfs/dbraw/zinc/83/14/74/539831474.db2.gz PMWBPVDYMPVIQX-NGZCFLSTSA-N 1 0 268.307 2.140 10 0 CEAERO CC(C)Oc1cncc(N2CCC([C@@H]3CCC[NH2+]3)CC2)n1 ZINC000071176198 363108655 /nfs/dbraw/zinc/10/86/55/363108655.db2.gz QKHRMAUTHCHINC-AWEZNQCLSA-N 1 0 290.411 2.232 10 0 CEAERO Cc1c(C(=O)CC[NH+](C)C)cnn1-c1nc2ccccc2[nH]1 ZINC000072416281 363132977 /nfs/dbraw/zinc/13/29/77/363132977.db2.gz WRLUNIGELWOUBE-UHFFFAOYSA-N 1 0 297.362 2.191 10 0 CEAERO [NH3+]C[C@H]1CCCN1C(=O)c1sccc1Br ZINC000132876941 187652268 /nfs/dbraw/zinc/65/22/68/187652268.db2.gz RPXHJTJHDKWIET-SSDOTTSWSA-N 1 0 289.198 2.074 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@H](C)c2ccc(OC)c(F)c2)C1 ZINC000252731046 539896610 /nfs/dbraw/zinc/89/66/10/539896610.db2.gz OAMSBSGGVREEMR-OCCSQVGLSA-N 1 0 296.386 2.206 10 0 CEAERO CCC([NH3+])(CC)CN1CCN(c2ccc(F)cc2)CC1 ZINC000094245898 535182280 /nfs/dbraw/zinc/18/22/80/535182280.db2.gz XZDQGCTYZAAZEQ-UHFFFAOYSA-N 1 0 279.403 2.465 10 0 CEAERO CCC([NH3+])(CC)CN1CCN(c2ccccc2F)CC1 ZINC000094245923 535182351 /nfs/dbraw/zinc/18/23/51/535182351.db2.gz MMOOJIJYNODSJA-UHFFFAOYSA-N 1 0 279.403 2.465 10 0 CEAERO CCOC(=O)c1cccc(NC(=O)CC[C@@H]2CC[NH2+]C2)c1 ZINC000134543370 187758975 /nfs/dbraw/zinc/75/89/75/187758975.db2.gz QKNDAHOVMIUASV-GFCCVEGCSA-N 1 0 290.363 2.192 10 0 CEAERO C[C@H]1COC[C@H](C)[NH+]1CCCOCC(F)(F)F ZINC000077369894 290981070 /nfs/dbraw/zinc/98/10/70/290981070.db2.gz VOGAEZUOKLGFIU-UWVGGRQHSA-N 1 0 255.280 2.065 10 0 CEAERO CCC[C@H](C(=O)N1CC[C@@H](C)[C@H](n2ccnc2)C1)[NH+](C)C ZINC000154516973 188148008 /nfs/dbraw/zinc/14/80/08/188148008.db2.gz JECRMHBTFHISPL-RBSFLKMASA-N 1 0 292.427 2.023 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)Cc2ccccc2F)[C@@H](C)C1 ZINC000155563682 188214102 /nfs/dbraw/zinc/21/41/02/188214102.db2.gz BVXZMSLJSOSMCF-WFASDCNBSA-N 1 0 278.371 2.213 10 0 CEAERO Cc1ccccc1CC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000155738001 188223942 /nfs/dbraw/zinc/22/39/42/188223942.db2.gz MXXXXUZRLYIMDK-HOCLYGCPSA-N 1 0 274.408 2.382 10 0 CEAERO COc1cc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)ccc1C ZINC000155746633 188224786 /nfs/dbraw/zinc/22/47/86/188224786.db2.gz QBZMHKOZSCVYJZ-ZFWWWQNUSA-N 1 0 290.407 2.462 10 0 CEAERO C[C@@H]1CCCC[C@@H]1N(C)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000252108407 539999101 /nfs/dbraw/zinc/99/91/01/539999101.db2.gz HJPQDTLWLKBPQP-RQJABVFESA-N 1 0 252.402 2.399 10 0 CEAERO FC(F)(F)c1nn(-c2ccccc2)c2c1C[NH2+]C2 ZINC000038540861 282934667 /nfs/dbraw/zinc/93/46/67/282934667.db2.gz BZZVMVQSCACOPU-UHFFFAOYSA-N 1 0 253.227 2.494 10 0 CEAERO O[C@@H]1CCCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccon1 ZINC000337307831 366137169 /nfs/dbraw/zinc/13/71/69/366137169.db2.gz UTVLBJQUUFHMGI-BFHYXJOUSA-N 1 0 250.342 2.190 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N(C)Cc2ccco2)C1 ZINC000132255168 366130718 /nfs/dbraw/zinc/13/07/18/366130718.db2.gz QFSUNDNDJKRYPS-OCCSQVGLSA-N 1 0 279.384 2.150 10 0 CEAERO CC(C)[C@H]1CN(C(=O)C[C@@H]2CCCCC(=O)N2)CC[N@@H+]1C ZINC000328694218 202017363 /nfs/dbraw/zinc/01/73/63/202017363.db2.gz CVASMVNAZGEAHQ-UONOGXRCSA-N 1 0 295.427 2.074 10 0 CEAERO CC(C)CCNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000132496183 366149088 /nfs/dbraw/zinc/14/90/88/366149088.db2.gz WLYYGDOAUBRQIX-STQMWFEESA-N 1 0 255.406 2.060 10 0 CEAERO CCOC(=O)CCCC[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000132915992 366180039 /nfs/dbraw/zinc/18/00/39/366180039.db2.gz JEYOPDPQLBJWSX-AWEZNQCLSA-N 1 0 279.384 2.290 10 0 CEAERO CCc1ccc([C@H](C)NC(=O)NCC[NH+](C)C)cc1 ZINC000133341215 366214627 /nfs/dbraw/zinc/21/46/27/366214627.db2.gz RLQBZQQGPDKGEO-LBPRGKRZSA-N 1 0 263.385 2.171 10 0 CEAERO C[C@H]1C[C@@H](C(=O)N(C)Cc2cccc(N(C)C)c2)CC[NH2+]1 ZINC000262467308 291035275 /nfs/dbraw/zinc/03/52/75/291035275.db2.gz WKHDGTZTFAGVAS-ZFWWWQNUSA-N 1 0 289.423 2.099 10 0 CEAERO CC[NH+]1CCC(CCNC(=O)N2CCS[C@@H](C)C2)CC1 ZINC000074714588 363375222 /nfs/dbraw/zinc/37/52/22/363375222.db2.gz ZZTAXEQKJJVPHF-ZDUSSCGKSA-N 1 0 299.484 2.255 10 0 CEAERO Cc1ccc2c(CC(=O)N3CCC[C@H]([NH3+])C3)coc2c1 ZINC000158069600 540049943 /nfs/dbraw/zinc/04/99/43/540049943.db2.gz JLGJCEZCHXNKSH-ZDUSSCGKSA-N 1 0 272.348 2.233 10 0 CEAERO C([NH2+]CC1CCCC1)[C@H]1CCN1C1CCOCC1 ZINC000675070195 540111850 /nfs/dbraw/zinc/11/18/50/540111850.db2.gz NATUTVSNBLVYPW-OAHLLOKOSA-N 1 0 252.402 2.020 10 0 CEAERO CCCCS(=O)(=O)NCCCC1([NH3+])CCCCC1 ZINC000675072647 540114677 /nfs/dbraw/zinc/11/46/77/540114677.db2.gz BRNXOLAYBHAGNE-UHFFFAOYSA-N 1 0 276.446 2.148 10 0 CEAERO COC[C@@H](C)C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000173611693 188861122 /nfs/dbraw/zinc/86/11/22/188861122.db2.gz BEFQTXYJAZEFRB-CABCVRRESA-N 1 0 292.423 2.296 10 0 CEAERO C[C@@H]1CCN(c2ccc(OC(F)F)cn2)[C@H](C[NH3+])C1 ZINC000262206849 540169888 /nfs/dbraw/zinc/16/98/88/540169888.db2.gz LFLZGTYMUUUGTD-ZJUUUORDSA-N 1 0 271.311 2.247 10 0 CEAERO C[C@@H]1Cc2ccccc2N1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054289969 540205883 /nfs/dbraw/zinc/20/58/83/540205883.db2.gz TUGQYOACJPHPHG-OLZOCXBDSA-N 1 0 258.365 2.354 10 0 CEAERO CC1(C)CCC[C@@H]([NH2+][C@@H]2CCCN(CCO)C2)CC1 ZINC000384670195 540212980 /nfs/dbraw/zinc/21/29/80/540212980.db2.gz CWAJSYOJAHIVFM-HUUCEWRRSA-N 1 0 268.445 2.392 10 0 CEAERO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCN(CCO)C2)CC1 ZINC000384793865 540218268 /nfs/dbraw/zinc/21/82/68/540218268.db2.gz XFMJMZKELUUNQF-OWCLPIDISA-N 1 0 268.445 2.392 10 0 CEAERO Clc1c(Br)cccc1NC1C[NH2+]C1 ZINC000575471598 366292118 /nfs/dbraw/zinc/29/21/18/366292118.db2.gz AREQPEAKUHFJHU-UHFFFAOYSA-N 1 0 261.550 2.486 10 0 CEAERO [NH3+]Cc1nc(Br)ccc1C(F)(F)F ZINC000575436820 366286342 /nfs/dbraw/zinc/28/63/42/366286342.db2.gz SUNMETACAGJVOE-UHFFFAOYSA-N 1 0 255.037 2.322 10 0 CEAERO C[C@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)[NH2+]CCS2 ZINC000575511549 366292444 /nfs/dbraw/zinc/29/24/44/366292444.db2.gz FWZMUZXZIWTLMY-GXFFZTMASA-N 1 0 272.414 2.439 10 0 CEAERO Cc1cc2ncc([C@H](C)[NH2+][C@H]3CCO[C@@H]3C)c(C)n2n1 ZINC000134238458 366303116 /nfs/dbraw/zinc/30/31/16/366303116.db2.gz KKFIFJUKSBCVFG-SUHUHFCYSA-N 1 0 274.368 2.174 10 0 CEAERO C[NH2+][C@H]1COC[C@@H]1c1cscc1Br ZINC000575531961 366295158 /nfs/dbraw/zinc/29/51/58/366295158.db2.gz TTZWBQHDVFONCN-MUWHJKNJSA-N 1 0 262.172 2.212 10 0 CEAERO C[C@@H](NC(=O)C(C)(C)[NH3+])c1ccc(F)c(Cl)c1 ZINC000076317315 363536985 /nfs/dbraw/zinc/53/69/85/363536985.db2.gz HMJZEUOOEVAUJF-SSDOTTSWSA-N 1 0 258.724 2.394 10 0 CEAERO C[NH+](C)[C@H]1CC[C@@H](NC(=O)c2ccnn2C2CCCC2)C1 ZINC000329023628 202156676 /nfs/dbraw/zinc/15/66/76/202156676.db2.gz UMEKYJNYIRQTFW-OCCSQVGLSA-N 1 0 290.411 2.211 10 0 CEAERO CCOc1ccccc1[C@@H](C)[NH2+][C@@H](C)C(=O)NC1CC1 ZINC000134846922 366364441 /nfs/dbraw/zinc/36/44/41/366364441.db2.gz LQNPSJQAIAQDSE-NEPJUHHUSA-N 1 0 276.380 2.403 10 0 CEAERO C[C@H](Nc1nc2ccccc2n1C)[C@@H]1CCC[NH2+]C1 ZINC000079047987 363569637 /nfs/dbraw/zinc/56/96/37/363569637.db2.gz BHXDNCXTNKAVPA-NWDGAFQWSA-N 1 0 258.369 2.373 10 0 CEAERO CC(C)[C@H]([NH2+]C[C@@H](O)COCc1ccco1)C1CC1 ZINC000323982752 538741674 /nfs/dbraw/zinc/74/16/74/538741674.db2.gz KFFMQZKJHSJPPO-HIFRSBDPSA-N 1 0 267.369 2.181 10 0 CEAERO CC(C)[C@@H]([NH2+]C[C@@H](O)COCc1ccco1)C1CC1 ZINC000323982753 538742769 /nfs/dbraw/zinc/74/27/69/538742769.db2.gz KFFMQZKJHSJPPO-UKRRQHHQSA-N 1 0 267.369 2.181 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@@H]1c1cccnc1 ZINC000227399439 538822118 /nfs/dbraw/zinc/82/21/18/538822118.db2.gz OGLPPIQPEVHBOE-AEGPPILISA-N 1 0 273.380 2.120 10 0 CEAERO CC[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccsc1 ZINC000294420581 199033013 /nfs/dbraw/zinc/03/30/13/199033013.db2.gz OICAFRYQSGFHMW-CHWSQXEVSA-N 1 0 254.399 2.119 10 0 CEAERO C/C=C(\C)C(=O)N1CC[C@@H](c2ccccc2)[C@@H]([NH3+])C1 ZINC000685939254 540635131 /nfs/dbraw/zinc/63/51/31/540635131.db2.gz IDVBFHCJTFYYFP-CSBWLJRISA-N 1 0 258.365 2.296 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@@](C)([NH+]2CCOCC2)CC1 ZINC000685952398 540646893 /nfs/dbraw/zinc/64/68/93/540646893.db2.gz JJDJTNWOVNSTAK-MRXNPFEDSA-N 1 0 298.427 2.498 10 0 CEAERO O=C1OCc2c(F)cccc2N1C1CC[NH2+]CC1 ZINC000149529453 366590699 /nfs/dbraw/zinc/59/06/99/366590699.db2.gz PZTNMEJANQUFIA-UHFFFAOYSA-N 1 0 250.273 2.034 10 0 CEAERO O[C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(Cl)cn3)C[C@H]2C1 ZINC000579326314 366626425 /nfs/dbraw/zinc/62/64/25/366626425.db2.gz IYUZDILVQMSSAP-JTNHKYCSSA-N 1 0 266.772 2.328 10 0 CEAERO O[C@@H]1CCCCC[C@H]1[NH2+]Cc1nc2c(s1)CCC2 ZINC000673619287 540682203 /nfs/dbraw/zinc/68/22/03/540682203.db2.gz NNYLVUWYMPWPLX-ZYHUDNBSSA-N 1 0 266.410 2.415 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)/C=C/c1ccco1 ZINC000176984695 189018715 /nfs/dbraw/zinc/01/87/15/189018715.db2.gz MRNQDLHKZBTFTR-XEHSLEBBSA-N 1 0 262.353 2.236 10 0 CEAERO COC(=O)c1ccc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)cc1 ZINC000177101824 189028918 /nfs/dbraw/zinc/02/89/18/189028918.db2.gz ZVAQKMVLAJREQC-INIZCTEOSA-N 1 0 299.374 2.334 10 0 CEAERO C[C@H]1C[N@H+](Cc2ccccc2Cl)C[C@@H]1N1CCOCC1 ZINC000177250080 189039458 /nfs/dbraw/zinc/03/94/58/189039458.db2.gz OQLWJOLALBLTJD-BBRMVZONSA-N 1 0 294.826 2.493 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1nc2ccccc2n1C ZINC000177708036 189064549 /nfs/dbraw/zinc/06/45/49/189064549.db2.gz MRLFSMIKPGZSCG-AWEZNQCLSA-N 1 0 286.423 2.489 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCc1cscn1 ZINC000179166495 189174558 /nfs/dbraw/zinc/17/45/58/189174558.db2.gz NLWYUMUTXCZAEA-CQSZACIVSA-N 1 0 295.452 2.312 10 0 CEAERO CCC[C@@H](C(=O)NCCCOc1ccccc1)[NH+](C)C ZINC000179108892 189169818 /nfs/dbraw/zinc/16/98/18/189169818.db2.gz TXZJWVNQSHXONH-HNNXBMFYSA-N 1 0 278.396 2.302 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccc2c[nH]nc2c1 ZINC000179558484 189202629 /nfs/dbraw/zinc/20/26/29/189202629.db2.gz QJXNKNRIWLPPNA-OAHLLOKOSA-N 1 0 272.396 2.479 10 0 CEAERO COc1c(C)cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1C ZINC000179903984 189226990 /nfs/dbraw/zinc/22/69/90/189226990.db2.gz PRFLMMLRLBAERI-CQSZACIVSA-N 1 0 276.380 2.088 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](C)c1nc2ccccc2n1CC ZINC000236983259 370671218 /nfs/dbraw/zinc/67/12/18/370671218.db2.gz ZQUBFOGVUJFVGQ-NWDGAFQWSA-N 1 0 288.395 2.361 10 0 CEAERO Cn1nccc1[C@H](OCC[NH+](C)C)c1cccs1 ZINC000000007743 361116337 /nfs/dbraw/zinc/11/63/37/361116337.db2.gz CIJATQMMNKXTJJ-ZDUSSCGKSA-N 1 0 265.382 2.149 10 0 CEAERO C[C@@](O)(C[N@@H+]1CCCN(CC(F)F)CC1)c1ccccc1 ZINC000180552643 189262137 /nfs/dbraw/zinc/26/21/37/189262137.db2.gz JQWPPRNRUFJRAE-MRXNPFEDSA-N 1 0 298.377 2.167 10 0 CEAERO C[C@](O)(C[N@@H+]1CCCN(CC(F)F)CC1)c1ccccc1 ZINC000180552667 189262163 /nfs/dbraw/zinc/26/21/63/189262163.db2.gz JQWPPRNRUFJRAE-INIZCTEOSA-N 1 0 298.377 2.167 10 0 CEAERO Cc1cccnc1C[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000180499016 189258865 /nfs/dbraw/zinc/25/88/65/189258865.db2.gz RCPYLYAGGYBZLG-CYBMUJFWSA-N 1 0 256.353 2.113 10 0 CEAERO C[C@H]([NH2+]C[C@H](O)Cn1cccn1)c1ccc(F)c(Cl)c1 ZINC000180738204 189272408 /nfs/dbraw/zinc/27/24/08/189272408.db2.gz FRHKMKXILJCGBG-JQWIXIFHSA-N 1 0 297.761 2.387 10 0 CEAERO CC(C)n1nccc1C[NH2+][C@@H]1CCCCC[C@@H]1O ZINC000342282006 216290017 /nfs/dbraw/zinc/29/00/17/216290017.db2.gz OONDGBMCJGENBF-KGLIPLIRSA-N 1 0 251.374 2.247 10 0 CEAERO CC(C)n1nccc1C[NH2+][C@H]1CCCCC[C@@H]1O ZINC000342282003 216290712 /nfs/dbraw/zinc/29/07/12/216290712.db2.gz OONDGBMCJGENBF-KBPBESRZSA-N 1 0 251.374 2.247 10 0 CEAERO O=C(c1ccccc1OC(F)F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000002790955 361251690 /nfs/dbraw/zinc/25/16/90/361251690.db2.gz WQVMZNYFTFPWGT-NSHDSACASA-N 1 0 296.317 2.208 10 0 CEAERO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2cn(C)nc2C)[nH]n1 ZINC000181421101 189295979 /nfs/dbraw/zinc/29/59/79/189295979.db2.gz URLSWGOATUUTRD-KOLCDFICSA-N 1 0 261.373 2.042 10 0 CEAERO CCC(CC)C[N@@H+]1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000153911747 366744833 /nfs/dbraw/zinc/74/48/33/366744833.db2.gz GHSWPAAWDFWPSX-HNNXBMFYSA-N 1 0 265.401 2.329 10 0 CEAERO Cc1cc(Cl)cc(NC(=O)C2CC[NH2+]CC2)c1O ZINC000182201682 189316951 /nfs/dbraw/zinc/31/69/51/189316951.db2.gz GLHSLNZHZCUEKX-UHFFFAOYSA-N 1 0 268.744 2.292 10 0 CEAERO CCSCC[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000182198505 189317017 /nfs/dbraw/zinc/31/70/17/189317017.db2.gz AEQABDJRZWTMFC-NSHDSACASA-N 1 0 287.450 2.494 10 0 CEAERO [NH3+]CCOc1ccc(Cl)cc1Br ZINC000011945981 361369743 /nfs/dbraw/zinc/36/97/43/361369743.db2.gz WXLAWXDEIOYIGI-UHFFFAOYSA-N 1 0 250.523 2.440 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)Cc2ccc(Cl)cc2)C1 ZINC000082286709 363760402 /nfs/dbraw/zinc/76/04/02/363760402.db2.gz HFMKGKAGAXKTCP-CYBMUJFWSA-N 1 0 266.772 2.045 10 0 CEAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CCc1ccccn1 ZINC000083704403 363785008 /nfs/dbraw/zinc/78/50/08/363785008.db2.gz ZDWLBADWTGBTMP-GDBMZVCRSA-N 1 0 259.397 2.183 10 0 CEAERO Cc1nn(C)c(Cl)c1CN1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000083705022 363785098 /nfs/dbraw/zinc/78/50/98/363785098.db2.gz UZBGJJQIEPGCQX-WCQYABFASA-N 1 0 296.846 2.441 10 0 CEAERO CCCCOCCNC(=O)C[NH2+][C@H](C)c1cccs1 ZINC000182554482 189327518 /nfs/dbraw/zinc/32/75/18/189327518.db2.gz OQXFQLOLYHBZBA-GFCCVEGCSA-N 1 0 284.425 2.332 10 0 CEAERO CC(C)[C@H]([NH3+])C(=O)N1CCc2ccc(Cl)cc2C1 ZINC000182858429 189337347 /nfs/dbraw/zinc/33/73/47/189337347.db2.gz JDOBVXRCPDWCIL-ZDUSSCGKSA-N 1 0 266.772 2.208 10 0 CEAERO C[C@H]([NH2+]CCCOc1ccc2c(c1)OCO2)[C@@H]1CCCO1 ZINC000183108277 189346835 /nfs/dbraw/zinc/34/68/35/189346835.db2.gz IGINVXADVPUUPY-JSGCOSHPSA-N 1 0 293.363 2.341 10 0 CEAERO Cc1ccccc1NC(=O)CC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000183145407 189348131 /nfs/dbraw/zinc/34/81/31/189348131.db2.gz AQQHVUNWVFVQAQ-HIFRSBDPSA-N 1 0 276.380 2.481 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)NC(C)C)cc1C ZINC000155066768 366804710 /nfs/dbraw/zinc/80/47/10/366804710.db2.gz HFHDLXYGIOCWOF-CYBMUJFWSA-N 1 0 291.395 2.199 10 0 CEAERO COC(=O)c1ccccc1OCC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000183168058 189349370 /nfs/dbraw/zinc/34/93/70/189349370.db2.gz HLBIHBWIGDNTLM-GXTWGEPZSA-N 1 0 293.363 2.009 10 0 CEAERO C[C@@H]1CC[C@H](C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)O1 ZINC000155172621 366809515 /nfs/dbraw/zinc/80/95/15/366809515.db2.gz IFLHQTGQKBMXAG-UPJWGTAASA-N 1 0 270.417 2.037 10 0 CEAERO COc1ccc(NC(=O)CC[NH2+][C@H](C)[C@@H]2CCCO2)cc1 ZINC000183212782 189350551 /nfs/dbraw/zinc/35/05/51/189350551.db2.gz NBRDMENDAYDIKE-DOMZBBRYSA-N 1 0 292.379 2.181 10 0 CEAERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1cccc(F)c1F ZINC000183292924 189353953 /nfs/dbraw/zinc/35/39/53/189353953.db2.gz GDANJXMTVHSHFP-UWVGGRQHSA-N 1 0 278.306 2.222 10 0 CEAERO Cc1nc(C(=O)N2CC[C@@H]([NH+](C)C)C2)c(-c2ccccc2)o1 ZINC000184678184 189392457 /nfs/dbraw/zinc/39/24/57/189392457.db2.gz IUMKRTNPUIJINO-CQSZACIVSA-N 1 0 299.374 2.426 10 0 CEAERO Cc1nc(C(=O)N2CC[C@H]([NH+](C)C)C2)c(-c2ccccc2)o1 ZINC000184678165 189392748 /nfs/dbraw/zinc/39/27/48/189392748.db2.gz IUMKRTNPUIJINO-AWEZNQCLSA-N 1 0 299.374 2.426 10 0 CEAERO CCC[C@@](C)([NH3+])C(=O)NCCCSCC(C)C ZINC000262590669 283690813 /nfs/dbraw/zinc/69/08/13/283690813.db2.gz UTLCTXCXOLNLLM-CYBMUJFWSA-N 1 0 260.447 2.399 10 0 CEAERO CC(C)[NH2+]C[C@@H](O)COc1cccc2cccc(O)c21 ZINC000026842465 361646167 /nfs/dbraw/zinc/64/61/67/361646167.db2.gz JGLQXORGAMZOJX-CYBMUJFWSA-N 1 0 275.348 2.283 10 0 CEAERO CCc1cc(N(C)C[C@@H]2CCC[N@H+]2CC)nc(C)n1 ZINC000302114408 201345718 /nfs/dbraw/zinc/34/57/18/201345718.db2.gz VPVYZBSNQJJPJA-AWEZNQCLSA-N 1 0 262.401 2.268 10 0 CEAERO Cc1ccc(CC(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1O ZINC000089456258 363969775 /nfs/dbraw/zinc/96/97/75/363969775.db2.gz ZGYWGOXIMGOHCU-OAHLLOKOSA-N 1 0 292.423 2.336 10 0 CEAERO Cc1n[nH]cc1C[N@@H+]1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000092813425 364110425 /nfs/dbraw/zinc/11/04/25/364110425.db2.gz DDTZXSAGAUNBPK-AWEZNQCLSA-N 1 0 285.395 2.356 10 0 CEAERO CSc1ccc(CNC(=O)[C@H]2CC[C@H]([NH3+])C2)cc1 ZINC000237320952 370710440 /nfs/dbraw/zinc/71/04/40/370710440.db2.gz UEAQNLHRQNRUDV-RYUDHWBXSA-N 1 0 264.394 2.152 10 0 CEAERO C[C@H]1CN(C(=O)c2cccc3[nH]ccc32)C[C@@H]1[NH+](C)C ZINC000093295303 364158357 /nfs/dbraw/zinc/15/83/57/364158357.db2.gz IEUQRSJCWUNZKC-NHYWBVRUSA-N 1 0 271.364 2.190 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)N1CCCC2(CC2)CC1 ZINC000638757146 370728024 /nfs/dbraw/zinc/72/80/24/370728024.db2.gz SRQFBJCWDNGHNT-ZDUSSCGKSA-N 1 0 250.386 2.169 10 0 CEAERO Cc1c(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)cnn1C ZINC000093649676 364209084 /nfs/dbraw/zinc/20/90/84/364209084.db2.gz XPFLOXADFQJAEP-QGZVFWFLSA-N 1 0 284.407 2.093 10 0 CEAERO COc1c(C[N@@H+]2CCC[C@@H]2CSC)c(C)nn1C ZINC000093761258 364222772 /nfs/dbraw/zinc/22/27/72/364222772.db2.gz BBQKKBDAHVRCDQ-LLVKDONJSA-N 1 0 269.414 2.065 10 0 CEAERO Cc1cc(C(=O)CN2C[C@H]3CCCC[N@H+]3C[C@@H]2C)c(C)[nH]1 ZINC000094446537 364275938 /nfs/dbraw/zinc/27/59/38/364275938.db2.gz RSKXUVLHALWJLH-DZGCQCFKSA-N 1 0 289.423 2.373 10 0 CEAERO O=[S@](Cc1cnc(Cl)s1)C[C@H]1CCC[NH2+]C1 ZINC000095070274 364329696 /nfs/dbraw/zinc/32/96/96/364329696.db2.gz FIIJYGYQXOHSHC-ZKANADHPSA-N 1 0 278.830 2.045 10 0 CEAERO Clc1cnc(OCCCC2CC[NH2+]CC2)nc1 ZINC000095070065 364330111 /nfs/dbraw/zinc/33/01/11/364330111.db2.gz NHKGOFJPKQAEKE-UHFFFAOYSA-N 1 0 255.749 2.289 10 0 CEAERO CN(C[C@@H]1CCC[NH2+]1)c1nc2ccccc2nc1NC1CC1 ZINC000095070978 364330822 /nfs/dbraw/zinc/33/08/22/364330822.db2.gz CKWIFIBDWYKCTI-ZDUSSCGKSA-N 1 0 297.406 2.392 10 0 CEAERO Cc1cc(Cl)nc(N(C)C[C@@H]2CCCC[NH2+]2)n1 ZINC000095070778 364331260 /nfs/dbraw/zinc/33/12/60/364331260.db2.gz QBFRWDDSQHOQBS-JTQLQIEISA-N 1 0 254.765 2.017 10 0 CEAERO COc1nc2ccccc2nc1N(C)C[C@@H]1CCC[NH2+]C1 ZINC000095071671 364332257 /nfs/dbraw/zinc/33/22/57/364332257.db2.gz DPAQDWCIQAPPMQ-GFCCVEGCSA-N 1 0 286.379 2.074 10 0 CEAERO O=[S@](c1nc2ccccc2s1)C1CC[NH2+]CC1 ZINC000095073422 364332546 /nfs/dbraw/zinc/33/25/46/364332546.db2.gz ACVYRVKGCCTXKX-QGZVFWFLSA-N 1 0 266.391 2.156 10 0 CEAERO C[C@H](NC(=O)C1(C)C[NH2+]C1)c1ccc(Br)cc1 ZINC000335017867 364357554 /nfs/dbraw/zinc/35/75/54/364357554.db2.gz OUYAKZJRBHGHBC-VIFPVBQESA-N 1 0 297.196 2.236 10 0 CEAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1c(F)ccc(F)c1F ZINC000335028060 364372561 /nfs/dbraw/zinc/37/25/61/364372561.db2.gz WABOLOSLFODLGV-JVHMLUBASA-N 1 0 284.281 2.117 10 0 CEAERO COc1ccc(-c2noc([C@@H]3CC[C@H]([NH3+])C3)n2)cc1OC ZINC000097067904 364439027 /nfs/dbraw/zinc/43/90/27/364439027.db2.gz DPMKXVHYRWPCMY-MNOVXSKESA-N 1 0 289.335 2.349 10 0 CEAERO CCc1ccc(CN(C)C(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000097093186 364445893 /nfs/dbraw/zinc/44/58/93/364445893.db2.gz ZNTRPDMCEGWLSK-LSDHHAIUSA-N 1 0 260.381 2.335 10 0 CEAERO COC(=O)c1cc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)ccc1Cl ZINC000097093563 364445958 /nfs/dbraw/zinc/44/59/58/364445958.db2.gz FRXSXIOYWJCXEY-BDAKNGLRSA-N 1 0 296.754 2.193 10 0 CEAERO C[NH+]1CCC(N[C@@H]2COc3cc(F)cc(F)c32)CC1 ZINC000157366721 366844162 /nfs/dbraw/zinc/84/41/62/366844162.db2.gz ZPSFSICPKHOJHG-GFCCVEGCSA-N 1 0 268.307 2.082 10 0 CEAERO C[N@H+](CCN1CC[NH+](C2CC2)CC1)Cc1ccc(F)cc1 ZINC000158936522 366862292 /nfs/dbraw/zinc/86/22/92/366862292.db2.gz QLIJFJUGCQOJQB-UHFFFAOYSA-N 1 0 291.414 2.038 10 0 CEAERO O[C@]1(C(F)(F)F)[C@@H]2C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000100645563 364549036 /nfs/dbraw/zinc/54/90/36/364549036.db2.gz YKUFXGLOCSQPJR-CLLJXQQHSA-N 1 0 271.282 2.432 10 0 CEAERO c1ccc(CC[N@@H+]2CC[C@@H](CNc3ccccn3)C2)nc1 ZINC000103473843 364657982 /nfs/dbraw/zinc/65/79/82/364657982.db2.gz ICBTZAHMOOWCGY-HNNXBMFYSA-N 1 0 282.391 2.453 10 0 CEAERO c1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCCc3ccccc31)CC2 ZINC000105872137 364702166 /nfs/dbraw/zinc/70/21/66/364702166.db2.gz QVRKGODLADXGBG-DZGCQCFKSA-N 1 0 268.364 2.260 10 0 CEAERO CCS(=O)(=O)c1ccc(N2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000111612622 364747442 /nfs/dbraw/zinc/74/74/42/364747442.db2.gz AVWATSBKNRTHRA-LBPRGKRZSA-N 1 0 296.436 2.044 10 0 CEAERO Cc1cccc(CCN2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1 ZINC000335437098 364734102 /nfs/dbraw/zinc/73/41/02/364734102.db2.gz RMYKJUYFLLLBHI-GOEBONIOSA-N 1 0 259.397 2.101 10 0 CEAERO COc1cccc(C(=O)N(C)[C@H]2CCC[NH2+]CC2)c1F ZINC000335636316 212352335 /nfs/dbraw/zinc/35/23/35/212352335.db2.gz AMODAJIBPQHFQF-NSHDSACASA-N 1 0 280.343 2.048 10 0 CEAERO C[C@H]1CC[NH2+][C@@H](C(=O)N2CCC(c3nccs3)CC2)C1 ZINC000335600313 212312617 /nfs/dbraw/zinc/31/26/17/212312617.db2.gz IXUDXEAUYTZOKE-WCQYABFASA-N 1 0 293.436 2.237 10 0 CEAERO Cc1ccc2nc(CN3C[C@@H]4CCC[N@H+]4C[C@@H]3C)cn2c1 ZINC000113518339 364903936 /nfs/dbraw/zinc/90/39/36/364903936.db2.gz CMQGGLSHHRXRAK-HOCLYGCPSA-N 1 0 284.407 2.311 10 0 CEAERO O=C(CN1CCC[C@@H]1c1ccco1)NCC1CCC1 ZINC000116294757 365049419 /nfs/dbraw/zinc/04/94/19/365049419.db2.gz XINYJTXMGSSMHM-CYBMUJFWSA-N 1 0 262.353 2.333 10 0 CEAERO COC(=O)c1cccc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000116323899 365051141 /nfs/dbraw/zinc/05/11/41/365051141.db2.gz RIBIBRMFUCSOQF-HNNXBMFYSA-N 1 0 299.374 2.196 10 0 CEAERO CC(C)OCCC[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116407691 365053816 /nfs/dbraw/zinc/05/38/16/365053816.db2.gz WVSDTTFBVHECCN-ZDUSSCGKSA-N 1 0 251.374 2.025 10 0 CEAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1cncc(F)c1 ZINC000335867479 365092380 /nfs/dbraw/zinc/09/23/80/365092380.db2.gz ZODANAORFPIPPC-DOMZBBRYSA-N 1 0 263.360 2.279 10 0 CEAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1cncc(F)c1 ZINC000335867481 365092538 /nfs/dbraw/zinc/09/25/38/365092538.db2.gz ZODANAORFPIPPC-SWLSCSKDSA-N 1 0 263.360 2.279 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)C[C@H]2CCOc3ccccc32)C1 ZINC000117786616 365125861 /nfs/dbraw/zinc/12/58/61/365125861.db2.gz CTALCTGTNVFFTB-KGLIPLIRSA-N 1 0 288.391 2.105 10 0 CEAERO Cc1ccc(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c(C)c1 ZINC000118787106 365178578 /nfs/dbraw/zinc/17/85/78/365178578.db2.gz IFHBOTTVGKDWTM-AWEZNQCLSA-N 1 0 291.395 2.098 10 0 CEAERO CS[C@@H](C)CNC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000119104627 365217387 /nfs/dbraw/zinc/21/73/87/365217387.db2.gz IGHISXQCEMSKGU-QWHCGFSZSA-N 1 0 287.473 2.158 10 0 CEAERO CCSCC[NH+]1CCC(Cn2cccn2)CC1 ZINC000119249317 365243032 /nfs/dbraw/zinc/24/30/32/365243032.db2.gz OXXZOTBTJAWPMY-UHFFFAOYSA-N 1 0 253.415 2.348 10 0 CEAERO CCS[C@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)C(C)C ZINC000245404274 370814263 /nfs/dbraw/zinc/81/42/63/370814263.db2.gz OREYXSXAWDNIAB-STQMWFEESA-N 1 0 270.442 2.071 10 0 CEAERO CC[C@](C)(O)CN[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000119476158 365278093 /nfs/dbraw/zinc/27/80/93/365278093.db2.gz LTWLOVXRCZYXPN-WBMJQRKESA-N 1 0 289.379 2.472 10 0 CEAERO Cc1nc(C[NH2+]C[C@@H]2CCc3nccn3C2)cs1 ZINC000275540143 193071353 /nfs/dbraw/zinc/07/13/53/193071353.db2.gz MPMMHLWULGWGBB-NSHDSACASA-N 1 0 262.382 2.000 10 0 CEAERO Cc1ccc(C(=O)CC[N@@H+]2CC[C@@H](CCO)C2)cc1 ZINC000159130824 366880278 /nfs/dbraw/zinc/88/02/78/366880278.db2.gz BBIWUCKWLMOTQP-AWEZNQCLSA-N 1 0 261.365 2.272 10 0 CEAERO CC[C@@H]1CN(Cc2ccc(F)cc2F)CC[N@@H+]1C[C@@H](C)O ZINC000120469326 365429889 /nfs/dbraw/zinc/42/98/89/365429889.db2.gz YJSOALOAWHJGKU-IUODEOHRSA-N 1 0 298.377 2.242 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)c1c(F)cccc1F ZINC000282535860 299360094 /nfs/dbraw/zinc/36/00/94/299360094.db2.gz ZIHPWISNAFTLQS-HOTUBEGUSA-N 1 0 268.307 2.283 10 0 CEAERO CCC[C@@H](C(=O)N[C@@H]1CCOC2(CCCC2)C1)[NH+](C)C ZINC000159231416 366891786 /nfs/dbraw/zinc/89/17/86/366891786.db2.gz LQCOFFZTYKKDFJ-KGLIPLIRSA-N 1 0 282.428 2.325 10 0 CEAERO Cc1nc(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)cs1 ZINC000120845439 365483574 /nfs/dbraw/zinc/48/35/74/365483574.db2.gz JKJQOYHXCPSHBS-NSHDSACASA-N 1 0 262.382 2.175 10 0 CEAERO CC[C@@H]1CN(Cc2ccc(C)o2)CC[N@@H+]1CCOC ZINC000120926044 365496494 /nfs/dbraw/zinc/49/64/94/365496494.db2.gz WGHLZVLCULAHTL-CQSZACIVSA-N 1 0 266.385 2.131 10 0 CEAERO CCCc1noc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2CC)n1 ZINC000245429874 370818323 /nfs/dbraw/zinc/81/83/23/370818323.db2.gz NHUDUKXFLVBPOD-CHWSQXEVSA-N 1 0 278.400 2.081 10 0 CEAERO CCC[C@@H]1C[C@@H]1NC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000162614938 367173403 /nfs/dbraw/zinc/17/34/03/367173403.db2.gz CBVPZJCUCFVXFQ-SYQHCUMBSA-N 1 0 252.402 2.317 10 0 CEAERO OC[C@@H]1[NH2+]CC[C@@]12c1ccccc1N[C@@H]2c1ccccc1 ZINC000584643340 367174646 /nfs/dbraw/zinc/17/46/46/367174646.db2.gz PIJJKUWTSBAZKU-RCCFBDPRSA-N 1 0 280.371 2.445 10 0 CEAERO C[C@H]1CN(C(=O)CSc2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000638883730 370818602 /nfs/dbraw/zinc/81/86/02/370818602.db2.gz ALFYNCOYSQBLHR-WDEREUQCSA-N 1 0 298.839 2.485 10 0 CEAERO Cc1cc(Cl)ccc1OCC(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638885601 370819301 /nfs/dbraw/zinc/81/93/01/370819301.db2.gz OTEYPCHZKSYGBM-VXGBXAGGSA-N 1 0 296.798 2.080 10 0 CEAERO CCC[C@H](C(=O)N[C@@H](C)CCc1cccn1C)[NH+](C)C ZINC000162311423 367151915 /nfs/dbraw/zinc/15/19/15/367151915.db2.gz UDQIFNHJXHSUMJ-DZGCQCFKSA-N 1 0 279.428 2.193 10 0 CEAERO CCc1sc(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)cc1C ZINC000638890655 370824198 /nfs/dbraw/zinc/82/41/98/370824198.db2.gz XJKGTFLKLGDUPI-QWRGUYRKSA-N 1 0 266.410 2.286 10 0 CEAERO Cc1ccc(Cl)cc1C(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638897938 370828135 /nfs/dbraw/zinc/82/81/35/370828135.db2.gz FRCFDYXPQWONJR-QWRGUYRKSA-N 1 0 266.772 2.315 10 0 CEAERO Cc1cccc(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)c1Cl ZINC000638898982 370829324 /nfs/dbraw/zinc/82/93/24/370829324.db2.gz OFTZBQAOYVGQMS-GHMZBOCLSA-N 1 0 266.772 2.315 10 0 CEAERO CC1(C)C[C@H]([NH2+]CC2(O)CCOCC2)c2ccccc2O1 ZINC000163142654 367220831 /nfs/dbraw/zinc/22/08/31/367220831.db2.gz SSLAXOGIHZESLW-AWEZNQCLSA-N 1 0 291.391 2.420 10 0 CEAERO C[C@@H]1C[C@@H]1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000245683064 370857336 /nfs/dbraw/zinc/85/73/36/370857336.db2.gz VSXJJUWDXYDMNV-UQOMUDLDSA-N 1 0 273.380 2.139 10 0 CEAERO O=C(CC1CC1)N[C@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000616568923 367231967 /nfs/dbraw/zinc/23/19/67/367231967.db2.gz FFQQEBFKAMYFLS-CABCVRRESA-N 1 0 258.365 2.048 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000170832279 367428322 /nfs/dbraw/zinc/42/83/22/367428322.db2.gz BBEPQHYPXJJVAW-HIFRSBDPSA-N 1 0 275.396 2.402 10 0 CEAERO CCOc1cccc(NC(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000171079643 367472748 /nfs/dbraw/zinc/47/27/48/367472748.db2.gz HFXZSWQNAYUNGP-ZDUSSCGKSA-N 1 0 277.368 2.253 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CCCO3)C1 ZINC000171083870 367474727 /nfs/dbraw/zinc/47/47/27/367474727.db2.gz VFOJVONGRYYNFT-CQSZACIVSA-N 1 0 289.379 2.179 10 0 CEAERO Cc1ccccc1OCCCC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170856112 367431847 /nfs/dbraw/zinc/43/18/47/367431847.db2.gz OXVACCMYIXKIHD-OAHLLOKOSA-N 1 0 290.407 2.317 10 0 CEAERO Cc1ccccc1OCCCC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170856109 367432248 /nfs/dbraw/zinc/43/22/48/367432248.db2.gz OXVACCMYIXKIHD-HNNXBMFYSA-N 1 0 290.407 2.317 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)CCCOc2ccc(F)cc2)C1 ZINC000170856097 367433034 /nfs/dbraw/zinc/43/30/34/367433034.db2.gz AXBREJZLSCNWGH-CQSZACIVSA-N 1 0 294.370 2.147 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(OC(F)F)cc2)C1 ZINC000170861956 367434059 /nfs/dbraw/zinc/43/40/59/367434059.db2.gz HCXXZMYVGMFYRN-NSHDSACASA-N 1 0 284.306 2.064 10 0 CEAERO Cc1ccc(C(=O)CCC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000170862482 367434083 /nfs/dbraw/zinc/43/40/83/367434083.db2.gz LYMQNXATHKVNFC-OAHLLOKOSA-N 1 0 288.391 2.120 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)CCCc2ccccc2)C1 ZINC000170865951 367436391 /nfs/dbraw/zinc/43/63/91/367436391.db2.gz JYRJNCVHPLEHAB-OAHLLOKOSA-N 1 0 260.381 2.172 10 0 CEAERO Cc1cc(Cl)ccc1NC(=O)CN1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631843630 367586254 /nfs/dbraw/zinc/58/62/54/367586254.db2.gz QRZYJFMJCHEKDY-RYUDHWBXSA-N 1 0 295.814 2.114 10 0 CEAERO Clc1cc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)ccn1 ZINC000171603329 367576106 /nfs/dbraw/zinc/57/61/06/367576106.db2.gz RTDAWQOTLHQKMA-CYBMUJFWSA-N 1 0 291.786 2.239 10 0 CEAERO Cc1ccc(N2CCC[N@@H+]([C@H]3C=CCCC3)CC2)nn1 ZINC000171745937 367608014 /nfs/dbraw/zinc/60/80/14/367608014.db2.gz QHWBZFLWTADVKO-HNNXBMFYSA-N 1 0 272.396 2.406 10 0 CEAERO C[N@H+](C1CCN(CCn2cccn2)CC1)[C@@H]1C=CCCC1 ZINC000171746313 367608924 /nfs/dbraw/zinc/60/89/24/367608924.db2.gz DLHNHSWJLXUORV-MRXNPFEDSA-N 1 0 288.439 2.388 10 0 CEAERO CCOCC[N@@H+]1CCN(C(=O)NCC(C)(C)C)C[C@@H]1CC ZINC000172127677 367678699 /nfs/dbraw/zinc/67/86/99/367678699.db2.gz ODNZOJKCSZIGJH-AWEZNQCLSA-N 1 0 299.459 2.175 10 0 CEAERO CC[C@@H](O)C[NH+]1CCN([C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000172355400 367724554 /nfs/dbraw/zinc/72/45/54/367724554.db2.gz LMHLBUCYWBVBPY-TZMCWYRMSA-N 1 0 298.377 2.414 10 0 CEAERO Cc1cc(C)n2c(CN3C[C@@H]4CCC[N@H+]4C[C@H]3C)cnc2n1 ZINC000245751121 370869371 /nfs/dbraw/zinc/86/93/71/370869371.db2.gz NTQAMZAUGXIVDO-CABCVRRESA-N 1 0 299.422 2.015 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)C2CCCC2)C1 ZINC000172313970 367716705 /nfs/dbraw/zinc/71/67/05/367716705.db2.gz RRFOGPCEUVJKQW-LBPRGKRZSA-N 1 0 253.390 2.055 10 0 CEAERO CC[C@H](CSC)NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000245925684 370888902 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OTGRWQRVTDTJPC-IUCAKERBSA-N 1 0 285.185 2.234 10 0 CEAERO C[NH2+][C@H](C)C(=O)N[C@H](C)c1ccccc1Br ZINC000054073178 541841290 /nfs/dbraw/zinc/84/12/90/541841290.db2.gz OTGRWQRVTDTJPC-RKDXNWHRSA-N 1 0 285.185 2.234 10 0 CEAERO CC(C)[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1 ZINC000232729483 189817401 /nfs/dbraw/zinc/81/74/01/189817401.db2.gz LASLDEFKCIDWHA-YUELXQCFSA-N 1 0 260.381 2.355 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccnc1C ZINC000248402958 371187229 /nfs/dbraw/zinc/18/72/29/371187229.db2.gz WWLYUTSNGQFFMK-CVEARBPZSA-N 1 0 259.397 2.449 10 0 CEAERO c1cc(CN2CC[N@@H+]3CCCC[C@H]3C2)c2c(c1)OCCO2 ZINC000248343332 371176820 /nfs/dbraw/zinc/17/68/20/371176820.db2.gz KDQNDESFYWHXDR-HNNXBMFYSA-N 1 0 288.391 2.128 10 0 CEAERO CC[C@H](C)[C@@H](C)C(=O)N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000248516492 371204081 /nfs/dbraw/zinc/20/40/81/371204081.db2.gz ACKFOUDKVKNMCH-RRFJBIMHSA-N 1 0 284.444 2.238 10 0 CEAERO C[C@@H](CNC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1)N1CCOCC1 ZINC000248519492 371205244 /nfs/dbraw/zinc/20/52/44/371205244.db2.gz AZQQGHRUCLOOAT-QLFBSQMISA-N 1 0 296.455 2.286 10 0 CEAERO CCC[C@@H]1C[C@@H](C(=O)N[C@H]2CCC[N@H+](CC)C2)CCO1 ZINC000248524614 371205552 /nfs/dbraw/zinc/20/55/52/371205552.db2.gz CIQNQRDAODQZDP-SOUVJXGZSA-N 1 0 282.428 2.182 10 0 CEAERO C[C@H](Cc1ccccc1)CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000248587671 371217235 /nfs/dbraw/zinc/21/72/35/371217235.db2.gz QKQGWDPRNOVQRK-WBVHZDCISA-N 1 0 276.424 2.128 10 0 CEAERO CCCCOC[C@H](O)C[N@H+](C)[C@H]1C[C@H](OCC)C12CCC2 ZINC000248640367 371229195 /nfs/dbraw/zinc/22/91/95/371229195.db2.gz BZCNLCTVXZABDJ-PMPSAXMXSA-N 1 0 299.455 2.444 10 0 CEAERO CC[C@@H]1CN(C(=O)[C@H](C)CC(C)C)CC[N@@H+]1CCOC ZINC000248730685 371239228 /nfs/dbraw/zinc/23/92/28/371239228.db2.gz DENJOQWLCPHSKL-HUUCEWRRSA-N 1 0 284.444 2.238 10 0 CEAERO C[C@H]1CN(C(=O)Nc2ccc(Cl)cc2)C[C@H]1[NH3+] ZINC000235649103 189829603 /nfs/dbraw/zinc/82/96/03/189829603.db2.gz WAUKXDXVSNHJRJ-GZMMTYOYSA-N 1 0 253.733 2.151 10 0 CEAERO Cc1cc(Br)ccc1C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000235684259 189830139 /nfs/dbraw/zinc/83/01/39/189830139.db2.gz VNSVTYKSKVWXBI-CABZTGNLSA-N 1 0 297.196 2.177 10 0 CEAERO CCN(C)c1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)cn1 ZINC000248829902 371251101 /nfs/dbraw/zinc/25/11/01/371251101.db2.gz IBCJSRKGMARFDW-GDBMZVCRSA-N 1 0 288.439 2.206 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)Oc2cccc(F)c2)C1 ZINC000249610000 371347275 /nfs/dbraw/zinc/34/72/75/371347275.db2.gz FMYYMUILZDKVAM-GXTWGEPZSA-N 1 0 294.370 2.194 10 0 CEAERO CCc1cc2c(ncnc2N2C[C@@H](C)[NH2+]C[C@H]2C)s1 ZINC000250540798 371386770 /nfs/dbraw/zinc/38/67/70/371386770.db2.gz ZUONOFHNQUMULO-NXEZZACHSA-N 1 0 276.409 2.440 10 0 CEAERO COC(=O)c1ccc([C@H](C)N2CC[N@@H+]3CCCC[C@H]3C2)o1 ZINC000251571678 371406582 /nfs/dbraw/zinc/40/65/82/371406582.db2.gz UTIGHDCGUVFEQY-STQMWFEESA-N 1 0 292.379 2.297 10 0 CEAERO CCOC(=O)[C@H](C)N1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000249905304 371369918 /nfs/dbraw/zinc/36/99/18/371369918.db2.gz UUOXXSQKJQLJSO-KBPBESRZSA-N 1 0 291.395 2.075 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(F)nc1 ZINC000250146503 371378962 /nfs/dbraw/zinc/37/89/62/371378962.db2.gz ZWZFAXHCGLZQTH-KBPBESRZSA-N 1 0 263.360 2.279 10 0 CEAERO CCNC(=O)c1ccc(Cl)cc1NC(=O)CCC[NH2+]C ZINC000236948342 189854959 /nfs/dbraw/zinc/85/49/59/189854959.db2.gz PJOODRIGQIVDPA-UHFFFAOYSA-N 1 0 297.786 2.028 10 0 CEAERO CCN(CC)C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000252892033 371489221 /nfs/dbraw/zinc/48/92/21/371489221.db2.gz MNXZSAPICAMQPR-CHWSQXEVSA-N 1 0 253.390 2.007 10 0 CEAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1cccc(Cl)n1 ZINC000252660716 371462648 /nfs/dbraw/zinc/46/26/48/371462648.db2.gz CNFWLZHZFAGQHJ-RYUDHWBXSA-N 1 0 293.798 2.434 10 0 CEAERO [NH3+]CC1([C@@H](O)c2ccccc2Br)CC1 ZINC000257996014 371616416 /nfs/dbraw/zinc/61/64/16/371616416.db2.gz PIVWNCGLMSDFBM-JTQLQIEISA-N 1 0 256.143 2.221 10 0 CEAERO CC(C)c1nc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cs1 ZINC000261587404 371664914 /nfs/dbraw/zinc/66/49/14/371664914.db2.gz VANRQSQQQDPKAT-WCFLWFBJSA-N 1 0 265.426 2.436 10 0 CEAERO CC[NH2+]CC1CCN(c2cc(C)nc(CC)n2)CC1 ZINC000261585674 371665341 /nfs/dbraw/zinc/66/53/41/371665341.db2.gz INTGPCRKWHKWTK-UHFFFAOYSA-N 1 0 262.401 2.173 10 0 CEAERO CCn1c(C)cc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c1C ZINC000237202245 189868254 /nfs/dbraw/zinc/86/82/54/189868254.db2.gz FHUQNMPBPNLQBN-TZMCWYRMSA-N 1 0 277.412 2.324 10 0 CEAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3cccc(N)c3)C2)n1 ZINC000261746321 371717304 /nfs/dbraw/zinc/71/73/04/371717304.db2.gz VOYCVVBACLNFOS-MRXNPFEDSA-N 1 0 299.422 2.389 10 0 CEAERO CNc1ccc(Cl)c(CN2CCC([NH+](C)C)CC2)n1 ZINC000061631240 522622980 /nfs/dbraw/zinc/62/29/80/522622980.db2.gz AORMSWPOXLAFMH-UHFFFAOYSA-N 1 0 282.819 2.303 10 0 CEAERO CN(c1nccc(C(C)(C)C)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261872082 371757452 /nfs/dbraw/zinc/75/74/52/371757452.db2.gz ZFHWLISRFJJHAK-FUNVUKJBSA-N 1 0 274.412 2.493 10 0 CEAERO Cc1ccsc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000261896793 371765807 /nfs/dbraw/zinc/76/58/07/371765807.db2.gz HGAGNEGVCWHQGN-MGPQQGTHSA-N 1 0 280.437 2.303 10 0 CEAERO Cc1cc2cc(NC(=O)C3(C[NH3+])CCOCC3)ccc2[nH]1 ZINC000261968767 371786685 /nfs/dbraw/zinc/78/66/85/371786685.db2.gz QHTDNLDDZBWHMR-UHFFFAOYSA-N 1 0 287.363 2.170 10 0 CEAERO Cn1cc(-c2ccc(CN3CCC[C@@H]3C[NH3+])s2)cn1 ZINC000261819116 371742528 /nfs/dbraw/zinc/74/25/28/371742528.db2.gz IEPUNSCBWNSNNC-GFCCVEGCSA-N 1 0 276.409 2.072 10 0 CEAERO [NH3+][C@H]1CC[C@H](c2nc(COc3cccc(F)c3)no2)C1 ZINC000262055266 371814933 /nfs/dbraw/zinc/81/49/33/371814933.db2.gz QORMTMLSPUCDKT-ONGXEEELSA-N 1 0 277.299 2.383 10 0 CEAERO C[C@H]1CN(Cc2cccc(OC(F)F)c2)C[C@@H]1[NH3+] ZINC000262120526 371825970 /nfs/dbraw/zinc/82/59/70/371825970.db2.gz XGNXDMQHRVEFSG-CABZTGNLSA-N 1 0 256.296 2.067 10 0 CEAERO CC(C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000262287880 371847654 /nfs/dbraw/zinc/84/76/54/371847654.db2.gz MUCDRSJMODOXNC-MJBXVCDLSA-N 1 0 252.402 2.399 10 0 CEAERO CN(C(=O)c1cccc2c1CCC2)[C@@H]1CCC[NH2+]CC1 ZINC000262330459 371852609 /nfs/dbraw/zinc/85/26/09/371852609.db2.gz GRMFDVBNRCLHGU-CQSZACIVSA-N 1 0 272.392 2.389 10 0 CEAERO COC[C@H]([NH3+])C(=O)N[C@H](C)c1cc2ccccc2s1 ZINC000262342479 371854197 /nfs/dbraw/zinc/85/41/97/371854197.db2.gz SXRMXOSNNKEIRJ-KOLCDFICSA-N 1 0 278.377 2.052 10 0 CEAERO COC[C@H]([NH3+])C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000262384251 371856801 /nfs/dbraw/zinc/85/68/01/371856801.db2.gz YEGJPXWMSDZHLT-JTQLQIEISA-N 1 0 291.376 2.086 10 0 CEAERO O=C(Nc1ccc2ccccc2n1)[C@H]1CCC[NH2+]C1 ZINC000262630307 371888226 /nfs/dbraw/zinc/88/82/26/371888226.db2.gz FPFYDDDVMZBUTJ-LBPRGKRZSA-N 1 0 255.321 2.173 10 0 CEAERO [NH3+]CCCCCCC(=O)Nc1ccnc2ccncc21 ZINC000262626381 371888466 /nfs/dbraw/zinc/88/84/66/371888466.db2.gz BVOMNBIZEBIJQT-UHFFFAOYSA-N 1 0 272.352 2.478 10 0 CEAERO CO[C@@H]1C[C@H](CO)[N@H+](Cc2cccc3ccccc32)C1 ZINC000344142604 217071356 /nfs/dbraw/zinc/07/13/56/217071356.db2.gz STAYXOMCRDURNX-HZPDHXFCSA-N 1 0 271.360 2.421 10 0 CEAERO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1nnc(C)s1 ZINC000362273629 372293573 /nfs/dbraw/zinc/29/35/73/372293573.db2.gz BPFXJHRTFGVCGN-STQMWFEESA-N 1 0 280.441 2.295 10 0 CEAERO Cc1nc(N2CCC(C)([NH3+])CC2)ccc1Br ZINC000643028940 372920259 /nfs/dbraw/zinc/92/02/59/372920259.db2.gz CREUVLKOEYPVHC-UHFFFAOYSA-N 1 0 284.201 2.470 10 0 CEAERO CCN(CCC(F)(F)F)C(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000643489451 373152798 /nfs/dbraw/zinc/15/27/98/373152798.db2.gz LNFPMJGJIIJYPU-VHSXEESVSA-N 1 0 266.307 2.175 10 0 CEAERO CCN(CCC(F)(F)F)C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000643489450 373152811 /nfs/dbraw/zinc/15/28/11/373152811.db2.gz LNFPMJGJIIJYPU-UWVGGRQHSA-N 1 0 266.307 2.175 10 0 CEAERO COCCC1(C(=O)N[C@H]2CCCC[C@H]2C)CC[NH2+]CC1 ZINC000643617239 373222886 /nfs/dbraw/zinc/22/28/86/373222886.db2.gz VWOKRWGDTQECTP-KGLIPLIRSA-N 1 0 282.428 2.088 10 0 CEAERO COCCC1(C(=O)NCCC2CCCC2)CC[NH2+]CC1 ZINC000643638730 373228684 /nfs/dbraw/zinc/22/86/84/373228684.db2.gz MQECCEKEEOIHJH-UHFFFAOYSA-N 1 0 282.428 2.089 10 0 CEAERO COC[C@@]1(C(=O)N(C)c2cc(C)cc(C)c2)CCC[NH2+]1 ZINC000643652089 373231682 /nfs/dbraw/zinc/23/16/82/373231682.db2.gz QDGHAMNPUMSREV-MRXNPFEDSA-N 1 0 276.380 2.035 10 0 CEAERO C[C@H](NC(=O)[C@H]1[NH2+]CC1(C)C)c1ccc(F)cc1F ZINC000644016050 373340629 /nfs/dbraw/zinc/34/06/29/373340629.db2.gz CCZZYGUQZKDUQN-QPUJVOFHSA-N 1 0 268.307 2.140 10 0 CEAERO Cc1ccc2c(CC(=O)NC[C@@H]3CC[NH2+]C3)coc2c1 ZINC000644109406 373412842 /nfs/dbraw/zinc/41/28/42/373412842.db2.gz YWLXIRADGUMNRM-GFCCVEGCSA-N 1 0 272.348 2.009 10 0 CEAERO CCCCOC[C@@H](O)C[NH2+]C1CCC(OC(C)C)CC1 ZINC000644606064 373555849 /nfs/dbraw/zinc/55/58/49/373555849.db2.gz MRZCXJQDPZTWLO-PCKAHOCUSA-N 1 0 287.444 2.490 10 0 CEAERO CCCCOC[C@@H](O)C[NH2+]CC(C)(C)c1ccncc1 ZINC000644612673 373559803 /nfs/dbraw/zinc/55/98/03/373559803.db2.gz VYHGSFNBBXGCRR-HNNXBMFYSA-N 1 0 280.412 2.126 10 0 CEAERO CCc1cc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)nc(C)n1 ZINC000272916976 373711150 /nfs/dbraw/zinc/71/11/50/373711150.db2.gz SMHOXDCVSVCAMN-BXUZGUMPSA-N 1 0 260.385 2.020 10 0 CEAERO c1ccc2c(c1)ccnc2N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000382045953 375183036 /nfs/dbraw/zinc/18/30/36/375183036.db2.gz VODLJHZUDZMAHQ-DZGCQCFKSA-N 1 0 253.349 2.423 10 0 CEAERO CCN1CC[C@H]([NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000382016413 375181514 /nfs/dbraw/zinc/18/15/14/375181514.db2.gz OJXDLWLNBQSVJF-AWEZNQCLSA-N 1 0 297.443 2.070 10 0 CEAERO [NH3+]C[C@H]1CC[C@H](Nc2nccc(C(F)(F)F)n2)C1 ZINC000382454569 375186236 /nfs/dbraw/zinc/18/62/36/375186236.db2.gz IEWOQFXAAWFONV-YUMQZZPRSA-N 1 0 260.263 2.035 10 0 CEAERO Cc1nc(N2C[C@@H]([NH3+])C[C@H]2C)ccc1Br ZINC000385195589 375229759 /nfs/dbraw/zinc/22/97/59/375229759.db2.gz AMFKHYCEEFNDGS-APPZFPTMSA-N 1 0 270.174 2.078 10 0 CEAERO CCN1CC[C@@H]([NH2+][C@@H](C)c2c(C)nn(CC)c2C)C1 ZINC000389283659 375302122 /nfs/dbraw/zinc/30/21/22/375302122.db2.gz VIEWRJIFOCTDGP-SMDDNHRTSA-N 1 0 264.417 2.265 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(CC)C2)C12CCCC2 ZINC000389438648 375303772 /nfs/dbraw/zinc/30/37/72/375303772.db2.gz NGDDXNRNYXXHDA-QLFBSQMISA-N 1 0 266.429 2.408 10 0 CEAERO CCN(CC)c1ncc(C[NH2+][C@H]2CCN(CC)C2)s1 ZINC000389584423 375306131 /nfs/dbraw/zinc/30/61/31/375306131.db2.gz YSDPTZFKHUWRLX-LBPRGKRZSA-N 1 0 282.457 2.173 10 0 CEAERO CC(C)CC1(CNC(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000392002142 375320351 /nfs/dbraw/zinc/32/03/51/375320351.db2.gz HXCHAABYXOIGHI-ZDUSSCGKSA-N 1 0 252.402 2.319 10 0 CEAERO Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H](CO)C1CCCCC1 ZINC000386290220 375256817 /nfs/dbraw/zinc/25/68/17/375256817.db2.gz SRSKKNMZUWEMCT-GJZGRUSLSA-N 1 0 277.412 2.328 10 0 CEAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000282389890 375473287 /nfs/dbraw/zinc/47/32/87/375473287.db2.gz OXJHALXKMZVTLN-BXKDBHETSA-N 1 0 297.196 2.206 10 0 CEAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000282363699 375465826 /nfs/dbraw/zinc/46/58/26/375465826.db2.gz NMBDFOGFJAGPRP-PRHODGIISA-N 1 0 270.735 2.236 10 0 CEAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CCCCc1ccccc1 ZINC000282251769 375440596 /nfs/dbraw/zinc/44/05/96/375440596.db2.gz GPFQJXBWYMHIQZ-HIFRSBDPSA-N 1 0 260.381 2.266 10 0 CEAERO COc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@@H]2C)cc1F ZINC000282510619 375503374 /nfs/dbraw/zinc/50/33/74/375503374.db2.gz YVPNRKWKINDOHY-OPQQBVKSSA-N 1 0 280.343 2.152 10 0 CEAERO C[C@@H]([NH2+]Cc1nc2ccc(O)cc2o1)[C@@H]1CCCOC1 ZINC000408522222 375509210 /nfs/dbraw/zinc/50/92/10/375509210.db2.gz FONOKSPUNVJGIU-GHMZBOCLSA-N 1 0 276.336 2.438 10 0 CEAERO C[C@H](C[NH2+]Cc1cccnc1)N(C)C(=O)OC(C)(C)C ZINC000282825426 375585881 /nfs/dbraw/zinc/58/58/81/375585881.db2.gz NRDHGBSUNKPUEA-GFCCVEGCSA-N 1 0 279.384 2.427 10 0 CEAERO CCC[C@@](C)([NH3+])C(=O)N[C@@H](CCOC)c1ccc(C)o1 ZINC000262167525 190049839 /nfs/dbraw/zinc/04/98/39/190049839.db2.gz WLDXLQUGJQPUMP-SWLSCSKDSA-N 1 0 282.384 2.299 10 0 CEAERO CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)C1CC[NH2+]CC1 ZINC000262593409 190058026 /nfs/dbraw/zinc/05/80/26/190058026.db2.gz VPDNAEZVMNILGZ-IAQYHMDHSA-N 1 0 294.370 2.018 10 0 CEAERO CN(C)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000309739577 376603561 /nfs/dbraw/zinc/60/35/61/376603561.db2.gz VJHUKJRKNUDAQZ-OWCLPIDISA-N 1 0 287.407 2.168 10 0 CEAERO Clc1cnccc1CN(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000310599564 376626625 /nfs/dbraw/zinc/62/66/25/376626625.db2.gz APXOMWDMLWXOGT-LBPRGKRZSA-N 1 0 265.788 2.451 10 0 CEAERO CCN1CCC[C@@H]([NH2+]Cc2cc(F)ccc2OC)C1 ZINC000311467907 376670678 /nfs/dbraw/zinc/67/06/78/376670678.db2.gz NRVZTZOAQGKCMC-CQSZACIVSA-N 1 0 266.360 2.408 10 0 CEAERO CC1(C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)CC1 ZINC000616570979 542159557 /nfs/dbraw/zinc/15/95/57/542159557.db2.gz OOPXXJROOGCMSQ-KGLIPLIRSA-N 1 0 276.355 2.188 10 0 CEAERO CC(C)C1([NH2+]C[C@@H](O)COc2ccccc2F)CC1 ZINC000293014687 377393810 /nfs/dbraw/zinc/39/38/10/377393810.db2.gz OJBWVKPGIZASAK-GFCCVEGCSA-N 1 0 267.344 2.344 10 0 CEAERO CCc1ccc(CC)c(NC(=O)C2([NH3+])CCOCC2)c1 ZINC000567160044 377806241 /nfs/dbraw/zinc/80/62/41/377806241.db2.gz GUUJOOLUFNEHNJ-UHFFFAOYSA-N 1 0 276.380 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AEFMCXKGVDVOKH-OCCSQVGLSA-N 1 0 299.411 2.342 10 0 CEAERO C[C@H](Cc1cccs1)N(C)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000093272308 184660031 /nfs/dbraw/zinc/66/00/31/184660031.db2.gz RNCYYKCOYXPRAZ-WXHSDQCUSA-N 1 0 266.410 2.265 10 0 CEAERO CCC[NH2+][C@@H](CN1CCOCC1=O)c1ccc(C)cc1C ZINC000093225476 184656454 /nfs/dbraw/zinc/65/64/54/184656454.db2.gz SQACSUGZIUYMAK-INIZCTEOSA-N 1 0 290.407 2.203 10 0 CEAERO C[C@@H](NC(=O)C1(C)C[NH2+]C1)c1ccccc1Cl ZINC000335229034 207978023 /nfs/dbraw/zinc/97/80/23/207978023.db2.gz XMHQZRYOGVVBJB-SECBINFHSA-N 1 0 252.745 2.127 10 0 CEAERO C[C@H]1CN(C(=O)Nc2ccc(Br)cc2)C[C@@H]1[NH3+] ZINC000335262608 208051253 /nfs/dbraw/zinc/05/12/53/208051253.db2.gz IPLSUMOZTQPXLU-KWQFWETISA-N 1 0 298.184 2.260 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1cc(F)c(F)c(F)c1F ZINC000335239521 208004561 /nfs/dbraw/zinc/00/45/61/208004561.db2.gz LQSXTAIDYURALG-HZGVNTEJSA-N 1 0 290.260 2.100 10 0 CEAERO CCc1nnc(CN2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)s1 ZINC000392061659 542375454 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[NH2+]=C1NC[C@@H](c2ccc(OC(F)(F)F)cc2)N1C1CC1 ZINC000093373685 184668164 /nfs/dbraw/zinc/66/81/64/184668164.db2.gz NSMNPAPTJVEKAH-NSHDSACASA-N 1 0 285.269 2.419 10 0 CEAERO [NH2+]=C1NC[C@H](c2ccccc2OC(F)F)N1C1CC1 ZINC000093373660 184668331 /nfs/dbraw/zinc/66/83/31/184668331.db2.gz YNPWSNRNAORUPM-SNVBAGLBSA-N 1 0 267.279 2.122 10 0 CEAERO CCc1ccccc1[C@@H]1CNC(=[NH2+])N1C[C@H]1CCCO1 ZINC000093377807 184668746 /nfs/dbraw/zinc/66/87/46/184668746.db2.gz KGUROIBPHHOTBJ-HIFRSBDPSA-N 1 0 273.380 2.099 10 0 CEAERO CCc1c(C)nn(-c2cccc(F)c2C(N)=[NH2+])c1C ZINC000093409035 184671948 /nfs/dbraw/zinc/67/19/48/184671948.db2.gz PMUOBGPCTCINOY-UHFFFAOYSA-N 1 0 260.316 2.475 10 0 CEAERO COc1ncccc1CN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093515617 184686978 /nfs/dbraw/zinc/68/69/78/184686978.db2.gz ALMOJKNDHGWJIO-ZFWWWQNUSA-N 1 0 277.412 2.491 10 0 CEAERO Cc1cc(N2CCCC2)ccc1NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000111265066 291932125 /nfs/dbraw/zinc/93/21/25/291932125.db2.gz KXOWISRWHAEUAQ-UKRRQHHQSA-N 1 0 287.407 2.389 10 0 CEAERO C[NH2+][C@H]1CCC[C@H]1S(=O)(=O)c1ccc(C)c(C)c1 ZINC000081921755 177894935 /nfs/dbraw/zinc/89/49/35/177894935.db2.gz BWUSKIIIRYILOI-UONOGXRCSA-N 1 0 267.394 2.218 10 0 CEAERO CC[NH2+][C@H](CC)[C@H](C)Sc1ncnc2[nH]cnc21 ZINC000081876453 177871024 /nfs/dbraw/zinc/87/10/24/177871024.db2.gz NKCRFTNLRZXNOU-DTWKUNHWSA-N 1 0 265.386 2.222 10 0 CEAERO Cc1ccc([C@@H]([NH3+])[C@@H](C)Sc2nncn2C)cc1 ZINC000081867297 177867233 /nfs/dbraw/zinc/86/72/33/177867233.db2.gz VHWJYADUYWZIJD-PWSUYJOCSA-N 1 0 262.382 2.304 10 0 CEAERO CCOC(=O)CCCn1c(C)cc2c1CCC[C@H]2[NH3+] ZINC000081546488 177814831 /nfs/dbraw/zinc/81/48/31/177814831.db2.gz YUOXDXIBSBVUST-CYBMUJFWSA-N 1 0 264.369 2.476 10 0 CEAERO CC[C@](C)(CO)[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000080886611 177724237 /nfs/dbraw/zinc/72/42/37/177724237.db2.gz DSTUNIZTKMYHTO-OAHLLOKOSA-N 1 0 259.353 2.327 10 0 CEAERO [NH3+]C[C@H](Cn1ncc2ccccc2c1=O)c1ccccc1 ZINC000080783404 177706839 /nfs/dbraw/zinc/70/68/39/177706839.db2.gz IQVPPGLNINSXNL-OAHLLOKOSA-N 1 0 279.343 2.139 10 0 CEAERO CCOC(=O)C[C@H](C1CCOCC1)[NH+](CC)CC ZINC000080691027 177692125 /nfs/dbraw/zinc/69/21/25/177692125.db2.gz YFJARICIPJSCKK-CYBMUJFWSA-N 1 0 257.374 2.077 10 0 CEAERO [NH3+]CCc1ccccc1C(=O)N(CC1CC1)C1CC1 ZINC000080367757 177646124 /nfs/dbraw/zinc/64/61/24/177646124.db2.gz QFBSKDONYYHEHZ-UHFFFAOYSA-N 1 0 258.365 2.202 10 0 CEAERO NC(=[NH2+])CN(C(=O)NC1CCCCC1)C1CCCC1 ZINC000080223517 177628158 /nfs/dbraw/zinc/62/81/58/177628158.db2.gz FKJCXHXWLIHLSR-UHFFFAOYSA-N 1 0 266.389 2.209 10 0 CEAERO Cc1ccc(C[C@@H](C)N2CC[C@@H]([NH2+]C3CC3)C2=O)s1 ZINC000080253518 177632164 /nfs/dbraw/zinc/63/21/64/177632164.db2.gz ZKNDJONUNRUHBM-QMTHXVAHSA-N 1 0 278.421 2.340 10 0 CEAERO COC[C@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000109107804 285332553 /nfs/dbraw/zinc/33/25/53/285332553.db2.gz DFVYAQNCWNBXOB-HOCLYGCPSA-N 1 0 296.455 2.430 10 0 CEAERO CC[NH2+][C@]1(C(N)=O)CC[C@H](Oc2cc(C)cc(C)c2C)C1 ZINC000093846605 184732254 /nfs/dbraw/zinc/73/22/54/184732254.db2.gz DDFBEYYWWMJMPJ-WMLDXEAASA-N 1 0 290.407 2.377 10 0 CEAERO CC(C)(C[NH2+][C@H]1CCCc2cc(O)ccc21)S(C)(=O)=O ZINC000093520669 184687553 /nfs/dbraw/zinc/68/75/53/184687553.db2.gz UVCDNJCOOVHTTQ-AWEZNQCLSA-N 1 0 297.420 2.182 10 0 CEAERO CC[NH2+][C@H]1CCC[C@H]1CCSc1nnc(C)n1C ZINC000093579148 184691853 /nfs/dbraw/zinc/69/18/53/184691853.db2.gz FHCLNTWMAATENP-RYUDHWBXSA-N 1 0 268.430 2.384 10 0 CEAERO C[NH2+][C@@]1(C(N)=O)CCC[C@H]1CCOCCCC(C)C ZINC000093619171 184696547 /nfs/dbraw/zinc/69/65/47/184696547.db2.gz UFQQPHZEFPICIO-ZFWWWQNUSA-N 1 0 270.417 2.073 10 0 CEAERO CCC[NH2+][C@@]1(CO)CCC[C@@H]1CCSc1nccn1C ZINC000093623828 184697848 /nfs/dbraw/zinc/69/78/48/184697848.db2.gz GRPGRQCTSWNUGP-UKRRQHHQSA-N 1 0 297.468 2.433 10 0 CEAERO Cc1c([C@@H]2CNC(=[NH2+])N2c2ccc(Cl)cc2)cnn1C ZINC000093653275 184702544 /nfs/dbraw/zinc/70/25/44/184702544.db2.gz ZZWSCKMUSIVCAY-ZDUSSCGKSA-N 1 0 289.770 2.468 10 0 CEAERO CCCn1nccc1/C(C)=C/CC[NH2+]CCOC ZINC000093676643 184704101 /nfs/dbraw/zinc/70/41/01/184704101.db2.gz ZKQQWDJIQIBLNP-AWNIVKPZSA-N 1 0 251.374 2.323 10 0 CEAERO C[C@H](NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccco1 ZINC000093676943 184704733 /nfs/dbraw/zinc/70/47/33/184704733.db2.gz OTAGZCCYHNBJQZ-WODVXLOZSA-N 1 0 262.353 2.378 10 0 CEAERO CCOC(=O)CC[C@@H]([NH3+])Cc1cc(C)n(CC)c1C ZINC000093693757 184707121 /nfs/dbraw/zinc/70/71/21/184707121.db2.gz TZJRFXBAGMEWGX-CQSZACIVSA-N 1 0 266.385 2.338 10 0 CEAERO CC[NH2+][C@H](Cc1nn(C)c2ccccc12)[C@@H](C)OC ZINC000093690679 184707322 /nfs/dbraw/zinc/70/73/22/184707322.db2.gz CELRVAKQWBTMIN-DGCLKSJQSA-N 1 0 261.369 2.129 10 0 CEAERO Cc1ccc([C@@H]([NH3+])C[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000093699818 184708055 /nfs/dbraw/zinc/70/80/55/184708055.db2.gz WMJKZZDVHDLRKG-ZFWWWQNUSA-N 1 0 296.436 2.057 10 0 CEAERO C[C@H](C[NH2+]C(C)(C)C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701337 184708118 /nfs/dbraw/zinc/70/81/18/184708118.db2.gz HQCWTTFCYSOZLS-QWHCGFSZSA-N 1 0 290.473 2.072 10 0 CEAERO CC[NH2+]Cc1ccccc1OCC(C)(C)C(=O)OC ZINC000093714248 184708463 /nfs/dbraw/zinc/70/84/63/184708463.db2.gz JMYYCCKHHMJGTH-UHFFFAOYSA-N 1 0 265.353 2.374 10 0 CEAERO COC(=O)C(C)(C)COc1cc(C[C@H](C)[NH3+])ccc1OC ZINC000093718965 184709371 /nfs/dbraw/zinc/70/93/71/184709371.db2.gz UXOCXPHJDQVSOU-NSHDSACASA-N 1 0 295.379 2.163 10 0 CEAERO COCCCS[C@H]1CCC[C@](CO)([NH2+]C2CC2)C1 ZINC000093786316 184722247 /nfs/dbraw/zinc/72/22/47/184722247.db2.gz DHPMKKRYWCVEQD-KBPBESRZSA-N 1 0 273.442 2.182 10 0 CEAERO CCN(CC1CC[NH2+]CC1)C(=O)Cc1ccc(OC)cc1 ZINC000094022435 184750122 /nfs/dbraw/zinc/75/01/22/184750122.db2.gz OPHQJFCRDMORPH-UHFFFAOYSA-N 1 0 290.407 2.086 10 0 CEAERO COc1cc(Cl)ccc1C(=O)N(C)CC1CC[NH2+]CC1 ZINC000094021988 184750306 /nfs/dbraw/zinc/75/03/06/184750306.db2.gz WMBHGTWPPWAJCG-UHFFFAOYSA-N 1 0 296.798 2.420 10 0 CEAERO C/C=C/C=C/C(=O)N(CC1CC[NH2+]CC1)C(C)C ZINC000094023028 184751309 /nfs/dbraw/zinc/75/13/09/184751309.db2.gz WGKTZQUDLUSDIB-YTXTXJHMSA-N 1 0 250.386 2.355 10 0 CEAERO Cc1cc(Br)cnc1N(CCC(N)=[NH2+])C1CC1 ZINC000094050452 184752655 /nfs/dbraw/zinc/75/26/55/184752655.db2.gz JYHHJZYVMYRSJL-UHFFFAOYSA-N 1 0 297.200 2.447 10 0 CEAERO Clc1ccc(-n2cccn2)c(N[C@H]2CC[NH2+]C2)c1 ZINC000094087003 184754864 /nfs/dbraw/zinc/75/48/64/184754864.db2.gz KKPRYCUTTUXPQV-NSHDSACASA-N 1 0 262.744 2.300 10 0 CEAERO Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H](CO)Cc1ccccc1 ZINC000094088995 184754886 /nfs/dbraw/zinc/75/48/86/184754886.db2.gz DHYXETZYPGVVTM-AEFFLSMTSA-N 1 0 282.387 2.449 10 0 CEAERO Cn1c(C[C@@H]([NH3+])c2cccnc2)nc2ccccc21 ZINC000094170629 184759340 /nfs/dbraw/zinc/75/93/40/184759340.db2.gz IQDJEBYYUHMANI-GFCCVEGCSA-N 1 0 252.321 2.211 10 0 CEAERO CCC[NH2+]Cc1ccc(OCC(=O)NC(CC)CC)cn1 ZINC000094209987 184763134 /nfs/dbraw/zinc/76/31/34/184763134.db2.gz WKUZVVGOIJHPET-UHFFFAOYSA-N 1 0 293.411 2.265 10 0 CEAERO CC(C)CCOCCOc1ccc(C[C@H](C)[NH3+])nc1 ZINC000094215459 184763538 /nfs/dbraw/zinc/76/35/38/184763538.db2.gz QPXUTEUBKADGLP-ZDUSSCGKSA-N 1 0 266.385 2.413 10 0 CEAERO CC[C@@](C)([NH3+])C(=O)Nc1ccccc1-c1nc(C)no1 ZINC000094232480 184767081 /nfs/dbraw/zinc/76/70/81/184767081.db2.gz AMKCJNXRBHOOMN-CQSZACIVSA-N 1 0 274.324 2.111 10 0 CEAERO COc1ccc(C[C@H]([NH3+])Cc2nccs2)cc1OC ZINC000094252755 184770239 /nfs/dbraw/zinc/77/02/39/184770239.db2.gz LQPBQKRQSIYSSJ-NSHDSACASA-N 1 0 278.377 2.273 10 0 CEAERO CCC[NH2+][C@@H](Cc1nccs1)[C@H]1CN(C(C)C)CCO1 ZINC000094253753 184770468 /nfs/dbraw/zinc/77/04/68/184770468.db2.gz OTXOPFBJXBLPCT-UONOGXRCSA-N 1 0 297.468 2.163 10 0 CEAERO CC(C)(C)c1csc(C[C@@H]([NH3+])[C@@H]2CCOC2)n1 ZINC000094256573 184770519 /nfs/dbraw/zinc/77/05/19/184770519.db2.gz ZLFKQKNQZBJSDM-NXEZZACHSA-N 1 0 254.399 2.347 10 0 CEAERO CC(C)n1c(S[C@@H]2CCCC(C)(C)[C@H]2[NH3+])n[nH]c1=O ZINC000094283877 184775274 /nfs/dbraw/zinc/77/52/74/184775274.db2.gz GKJDJTWGSQIFDI-ZJUUUORDSA-N 1 0 284.429 2.150 10 0 CEAERO CCCN1CC[NH+](C[C@@H]2CCCC(C)(C)[C@H]2O)CC1 ZINC000094289086 184775530 /nfs/dbraw/zinc/77/55/30/184775530.db2.gz AQMKAPCIMNCGOQ-GJZGRUSLSA-N 1 0 268.445 2.201 10 0 CEAERO CCC[NH2+][C@H]1[C@H](S(=O)(=O)CCC)CCC1(C)C ZINC000094311244 184778583 /nfs/dbraw/zinc/77/85/83/184778583.db2.gz XBVPJNMGTRHVRD-NEPJUHHUSA-N 1 0 261.431 2.368 10 0 CEAERO CC[NH2+][C@@H]1[C@@H](Sc2nnnn2C2CC2)CCC1(C)C ZINC000094312986 184779618 /nfs/dbraw/zinc/77/96/18/184779618.db2.gz AIWAMUNLKWZWCB-WDEREUQCSA-N 1 0 281.429 2.267 10 0 CEAERO C[C@@H](Oc1c(F)cc(C[NH2+]C(C)(C)C)cc1F)C(N)=O ZINC000094347849 184787052 /nfs/dbraw/zinc/78/70/52/184787052.db2.gz WGAQHJHZMAJRFA-MRVPVSSYSA-N 1 0 286.322 2.106 10 0 CEAERO C[C@@H]([NH3+])c1ccc(O[C@@H]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000094364068 184789080 /nfs/dbraw/zinc/78/90/80/184789080.db2.gz WEEXHJSKBIJWBQ-WQVCFCJDSA-N 1 0 277.364 2.423 10 0 CEAERO c1cc(CC[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)cs1 ZINC000094369662 184790380 /nfs/dbraw/zinc/79/03/80/184790380.db2.gz WBFMJBVGZKPDOM-ZIAGYGMSSA-N 1 0 267.394 2.218 10 0 CEAERO C(COC1CCCCC1)[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000094372936 184790948 /nfs/dbraw/zinc/79/09/48/184790948.db2.gz OUENKWSMTYTORC-GDBMZVCRSA-N 1 0 283.412 2.263 10 0 CEAERO C[NH2+]C[C@@H](C)O[C@@H]1CCOC2(CCSCC2)C1 ZINC000094380914 184791403 /nfs/dbraw/zinc/79/14/03/184791403.db2.gz CNDLYQXYARFBHX-VXGBXAGGSA-N 1 0 259.415 2.056 10 0 CEAERO C[NH2+][C@H](c1cccnc1)[C@@H]1CCOC2(CCOCC2)C1 ZINC000094398782 184793126 /nfs/dbraw/zinc/79/31/26/184793126.db2.gz GKHABOMSKJBCMJ-HIFRSBDPSA-N 1 0 276.380 2.318 10 0 CEAERO CC[NH2+][C@@H](CCCOC)[C@H]1CCOC2(CCOCC2)C1 ZINC000094403977 184793466 /nfs/dbraw/zinc/79/34/66/184793466.db2.gz ZSKFZOFEQIMDKO-GJZGRUSLSA-N 1 0 285.428 2.367 10 0 CEAERO [NH3+][C@H](COc1ccccc1)[C@H]1CCOC2(CCOCC2)C1 ZINC000094401948 184793552 /nfs/dbraw/zinc/79/35/52/184793552.db2.gz LPXMWDOINKBNEX-GOEBONIOSA-N 1 0 291.391 2.369 10 0 CEAERO C1CC1[C@]1([C@H]2CCOC3(CCOCC3)C2)CCC[NH2+]1 ZINC000094406638 184793883 /nfs/dbraw/zinc/79/38/83/184793883.db2.gz MFHVLRYKOVFLOH-HOCLYGCPSA-N 1 0 265.397 2.494 10 0 CEAERO CC(C)([NH3+])c1cn([C@@H]2CCOC3(CCCC3)C2)nn1 ZINC000094411390 184794370 /nfs/dbraw/zinc/79/43/70/184794370.db2.gz UPHSDEGUPWVKDI-LLVKDONJSA-N 1 0 264.373 2.136 10 0 CEAERO CC[N@H+](CC1CC1)[C@]1(CN)CC(C)(C)OC1(C)C ZINC000094425140 184795669 /nfs/dbraw/zinc/79/56/69/184795669.db2.gz FMWMDRPEEABLSW-HNNXBMFYSA-N 1 0 254.418 2.393 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@@H]1Nc1ccc2nccnc2n1 ZINC000094726388 184847641 /nfs/dbraw/zinc/84/76/41/184847641.db2.gz BQJCPHWBPZTJAG-MNOVXSKESA-N 1 0 257.341 2.097 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@H]1C(=O)NCCc1ccccc1F ZINC000094749088 184852232 /nfs/dbraw/zinc/85/22/32/184852232.db2.gz BMJFYTURYLDQSJ-UKRRQHHQSA-N 1 0 278.371 2.392 10 0 CEAERO CC(=O)c1csc(NC(=O)[C@H]2CCCCC[C@@H]2[NH3+])n1 ZINC000094754211 184853721 /nfs/dbraw/zinc/85/37/21/184853721.db2.gz MRRWEBINACDJQW-UWVGGRQHSA-N 1 0 281.381 2.192 10 0 CEAERO Cc1ncsc1CN(C)C(=O)[C@@H]1CCCCC[C@H]1[NH3+] ZINC000094753962 184854372 /nfs/dbraw/zinc/85/43/72/184854372.db2.gz FXXVIPABICJTER-VXGBXAGGSA-N 1 0 281.425 2.318 10 0 CEAERO Cc1cc(N2CC[C@@H]([NH+](C)C)C2)c([C@@H](C)O)cc1F ZINC000094769409 184857726 /nfs/dbraw/zinc/85/77/26/184857726.db2.gz ZSCDNBUTSURIMZ-VXGBXAGGSA-N 1 0 266.360 2.328 10 0 CEAERO C[NH2+][C@H](Cc1nc2ccccc2n1C)[C@]1(C)CCCO1 ZINC000094782890 184863249 /nfs/dbraw/zinc/86/32/49/184863249.db2.gz OJVLNCNYZAKEOT-ZBFHGGJFSA-N 1 0 273.380 2.273 10 0 CEAERO COc1ccc(OCC[NH2+]C[C@]2(C)CCCO2)cc1 ZINC000094801557 184868132 /nfs/dbraw/zinc/86/81/32/184868132.db2.gz RJQUBZFEHSFAPS-HNNXBMFYSA-N 1 0 265.353 2.233 10 0 CEAERO C[NH2+][C@@H](Cc1nc([C@@H]2CSCCS2)no1)C1CC1 ZINC000094500498 184810896 /nfs/dbraw/zinc/81/08/96/184810896.db2.gz FISVQBPNLXVNKF-UWVGGRQHSA-N 1 0 285.438 2.131 10 0 CEAERO CC(C)[C@H](CC[NH3+])CCc1nc([C@H]2CSCCO2)no1 ZINC000094502092 184811234 /nfs/dbraw/zinc/81/12/34/184811234.db2.gz CHIVHKBKOCRCRN-NWDGAFQWSA-N 1 0 299.440 2.428 10 0 CEAERO CC[NH2+][C@@H](Cc1ccccc1F)[C@@H]1CSCCO1 ZINC000094504009 184811385 /nfs/dbraw/zinc/81/13/85/184811385.db2.gz XQCZOXWBWKVJCI-KBPBESRZSA-N 1 0 269.385 2.478 10 0 CEAERO CC[NH2+][C@H](c1cnccc1C)[C@@H]1CSCCO1 ZINC000094503522 184811770 /nfs/dbraw/zinc/81/17/70/184811770.db2.gz VUNRWSRLEPZYKR-QWHCGFSZSA-N 1 0 252.383 2.173 10 0 CEAERO Cc1cc(C)c(C(=O)N2C[C@@H](C)C[C@H]([NH3+])C2)c(C)c1 ZINC000094548975 184815788 /nfs/dbraw/zinc/81/57/88/184815788.db2.gz OWBGDLHCKJPARM-FZMZJTMJSA-N 1 0 260.381 2.421 10 0 CEAERO C[C@@H]1C[C@@H]([NH3+])CN(C(=O)c2ccccc2Br)C1 ZINC000094549780 184817123 /nfs/dbraw/zinc/81/71/23/184817123.db2.gz ORXJNZMWPGTHCB-NXEZZACHSA-N 1 0 297.196 2.258 10 0 CEAERO CCC1(C(=O)Nc2cc(C)ccc2O)CC[NH2+]CC1 ZINC000094574264 184820961 /nfs/dbraw/zinc/82/09/61/184820961.db2.gz MPGJAILTNLPJRV-UHFFFAOYSA-N 1 0 262.353 2.419 10 0 CEAERO Cc1ccn2nc(N3CCC[C@@H](C[NH2+]C(C)C)C3)nc2c1 ZINC000094607893 184825298 /nfs/dbraw/zinc/82/52/98/184825298.db2.gz HDVXZHHTDINVJR-AWEZNQCLSA-N 1 0 287.411 2.252 10 0 CEAERO CCN(c1nc2cc(C)ccn2n1)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000094608901 184825599 /nfs/dbraw/zinc/82/55/99/184825599.db2.gz SYMOPNLIWMLQOU-KGLIPLIRSA-N 1 0 287.411 2.382 10 0 CEAERO CCN(c1nc2cc(C)ccn2n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000094607579 184825735 /nfs/dbraw/zinc/82/57/35/184825735.db2.gz CJPFPCGSXTUOGG-PBWFPOADSA-N 1 0 285.395 2.147 10 0 CEAERO CCN(c1nc2cccc(C)n2n1)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000094608899 184825812 /nfs/dbraw/zinc/82/58/12/184825812.db2.gz NMRPMDSFLITLKB-KGLIPLIRSA-N 1 0 287.411 2.382 10 0 CEAERO COc1ccc(C[C@H]([NH3+])c2ccc3c(c2)OCCO3)cn1 ZINC000094632105 184829520 /nfs/dbraw/zinc/82/95/20/184829520.db2.gz JDZOMBSNCGCVHW-ZDUSSCGKSA-N 1 0 286.331 2.104 10 0 CEAERO COc1ccc(Cc2noc([C@H]3CCCC[C@@H]3[NH3+])n2)cn1 ZINC000094631207 184829728 /nfs/dbraw/zinc/82/97/28/184829728.db2.gz RDDNHYFPPXOQNH-RYUDHWBXSA-N 1 0 288.351 2.049 10 0 CEAERO Cc1ncccc1-c1nnc(CC[NH2+]C(C)C)s1 ZINC000094649709 184834486 /nfs/dbraw/zinc/83/44/86/184834486.db2.gz SVTWFNDOHZRBJR-UHFFFAOYSA-N 1 0 262.382 2.449 10 0 CEAERO COCC[NH2+]C[C@H](C)Cc1cc(OC)cc(OC)c1 ZINC000094652123 184834956 /nfs/dbraw/zinc/83/49/56/184834956.db2.gz BTXXIBJTNKLBRQ-GFCCVEGCSA-N 1 0 267.369 2.118 10 0 CEAERO COc1ccc(O[C@@H](C)[C@@H](C)O)c(C[NH2+]C(C)C)c1 ZINC000094652603 184835112 /nfs/dbraw/zinc/83/51/12/184835112.db2.gz BLRDUFOWGCGERU-NEPJUHHUSA-N 1 0 267.369 2.341 10 0 CEAERO C[C@@H]1CN(Cc2cccc(O)c2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000094689778 184839696 /nfs/dbraw/zinc/83/96/96/184839696.db2.gz UCAYAVSPIUSITG-MLGOLLRUSA-N 1 0 260.381 2.355 10 0 CEAERO CC(C)C[C@@H](C[NH3+])C(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000094698821 184842717 /nfs/dbraw/zinc/84/27/17/184842717.db2.gz JKLMACLFQSHEGU-GXTWGEPZSA-N 1 0 263.385 2.299 10 0 CEAERO CN(c1ccc(C(N)=[NH2+])cc1)c1ccc2nccnc2n1 ZINC000094725969 184847104 /nfs/dbraw/zinc/84/71/04/184847104.db2.gz ZLFQFVGIXIXANT-UHFFFAOYSA-N 1 0 278.319 2.077 10 0 CEAERO C[NH2+][C@H](Cc1nc(C)c(C)s1)C(C)(C)N(C)C ZINC000094974066 184909309 /nfs/dbraw/zinc/90/93/09/184909309.db2.gz ULCCTFDCNYTTSG-LLVKDONJSA-N 1 0 255.431 2.231 10 0 CEAERO CC[C@H]([NH3+])[C@H](N(C)CCOCC1CC1)C(F)(F)F ZINC000094983792 184909848 /nfs/dbraw/zinc/90/98/48/184909848.db2.gz GEDSAOASMDXJRE-QWRGUYRKSA-N 1 0 268.323 2.013 10 0 CEAERO C[NH2+]CCc1c(C)nn(Cc2nc(C)c(C)s2)c1C ZINC000094978685 184910044 /nfs/dbraw/zinc/91/00/44/184910044.db2.gz BMNUXWYCZMCCHK-UHFFFAOYSA-N 1 0 278.425 2.383 10 0 CEAERO CCCCCC(C)(C)C[NH2+][C@H](C)C(=O)NC(=O)NC ZINC000094983057 184910253 /nfs/dbraw/zinc/91/02/53/184910253.db2.gz RYZVSTIWSMVCCP-LLVKDONJSA-N 1 0 271.405 2.027 10 0 CEAERO CCOc1ccc(NC(=O)CCC2CC[NH2+]CC2)cn1 ZINC000094988990 184910788 /nfs/dbraw/zinc/91/07/88/184910788.db2.gz MNOPAKLEARGTCU-UHFFFAOYSA-N 1 0 277.368 2.199 10 0 CEAERO COc1ncccc1CN(C)[C@@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000095006294 184913746 /nfs/dbraw/zinc/91/37/46/184913746.db2.gz DYXNRCOUJRGZHB-CJNGLKHVSA-N 1 0 277.412 2.430 10 0 CEAERO COc1ncccc1CN(C)c1cccc(C[NH3+])c1 ZINC000095006329 184913866 /nfs/dbraw/zinc/91/38/66/184913866.db2.gz DGPQMUQCYNUXDY-UHFFFAOYSA-N 1 0 257.337 2.185 10 0 CEAERO COc1ncccc1CN1CCC[C@H]1C[NH2+]C(C)(C)C ZINC000095008406 184914834 /nfs/dbraw/zinc/91/48/34/184914834.db2.gz BFWAJCIPPPUQRT-AWEZNQCLSA-N 1 0 277.412 2.443 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1Cc1cccnc1OC ZINC000095011210 184915292 /nfs/dbraw/zinc/91/52/92/184915292.db2.gz BAHUBXYJMNBAJQ-HUUCEWRRSA-N 1 0 277.412 2.299 10 0 CEAERO C[C@@H](NC(=O)Cc1ccc(F)cc1F)[C@H]1CCCC[NH2+]1 ZINC000095066510 184929276 /nfs/dbraw/zinc/92/92/76/184929276.db2.gz XCUCFXZXWLEBRG-QMTHXVAHSA-N 1 0 282.334 2.154 10 0 CEAERO CCN(C(=O)Cc1ccc(F)cc1F)[C@H]1CCC[NH2+]C1 ZINC000095066415 184929511 /nfs/dbraw/zinc/92/95/11/184929511.db2.gz ZLICSGLMGZMGTQ-ZDUSSCGKSA-N 1 0 282.334 2.108 10 0 CEAERO COc1ccc(F)c(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000094855296 184881607 /nfs/dbraw/zinc/88/16/07/184881607.db2.gz QEKPPSQMNDWHJB-KOLCDFICSA-N 1 0 266.316 2.148 10 0 CEAERO Cc1cscc1CNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000094877378 184886313 /nfs/dbraw/zinc/88/63/13/184886313.db2.gz QNSLTJNIDKSKTO-GFCCVEGCSA-N 1 0 264.394 2.062 10 0 CEAERO Cc1cscc1CNC(=O)C1CCC(C[NH3+])CC1 ZINC000094877254 184886446 /nfs/dbraw/zinc/88/64/46/184886446.db2.gz CTGGQXIEEDBLQC-UHFFFAOYSA-N 1 0 266.410 2.438 10 0 CEAERO CC(C)CC1(C(=O)N2CCN([C@@H](C)C[NH3+])CC2)CCCC1 ZINC000094897426 184889485 /nfs/dbraw/zinc/88/94/85/184889485.db2.gz IXCZGJXHBIVAQP-HNNXBMFYSA-N 1 0 295.471 2.084 10 0 CEAERO CC(C)Oc1cccc(C(=O)N[C@H](C)CCC[NH3+])c1 ZINC000094947759 184901183 /nfs/dbraw/zinc/90/11/83/184901183.db2.gz DLMUNTZEVBMNBD-GFCCVEGCSA-N 1 0 264.369 2.331 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCC[NH2+]2)cc1F ZINC000094956564 184903492 /nfs/dbraw/zinc/90/34/92/184903492.db2.gz KBSONPLWBFACHM-FZMZJTMJSA-N 1 0 264.344 2.453 10 0 CEAERO CC[C@H](CC[NH3+])CNc1ccnc(C(=O)N(CC)CC)c1 ZINC000094962587 184905864 /nfs/dbraw/zinc/90/58/64/184905864.db2.gz QKEWLUKITBYZDZ-CYBMUJFWSA-N 1 0 292.427 2.351 10 0 CEAERO CC[C@H](CC[NH3+])CNC(=O)c1ccccc1OC(F)F ZINC000094961803 184906086 /nfs/dbraw/zinc/90/60/86/184906086.db2.gz KPOCZNBNBDESIO-SNVBAGLBSA-N 1 0 286.322 2.393 10 0 CEAERO Oc1ccc([C@@H]2C[NH2+][C@H](c3ccc(O)cc3)CN2)cc1 ZINC000065734880 285385673 /nfs/dbraw/zinc/38/56/73/285385673.db2.gz FPPBMXVCCCEYJD-HOTGVXAUSA-N 1 0 270.332 2.073 10 0 in-vitro CEAERO c1ccc2c(c1)N(C[C@@H]1CCC[NH2+]C1)CCN2C1CC1 ZINC000261954039 285518210 /nfs/dbraw/zinc/51/82/10/285518210.db2.gz OJKCRKMLDLJXPE-CQSZACIVSA-N 1 0 271.408 2.475 10 0 CEAERO c1ccc2sc(N3CC[C@@H]4[NH2+]CC[C@H]4C3)nc2c1 ZINC000261582214 285533276 /nfs/dbraw/zinc/53/32/76/285533276.db2.gz RASZTIIOOMKTFY-QWRGUYRKSA-N 1 0 259.378 2.485 10 0 CEAERO CC(C)c1cc(N2CCC(C[NH3+])CC2)nc(Cl)n1 ZINC000073735207 134445075 /nfs/dbraw/zinc/44/50/75/134445075.db2.gz GGLZMGCOCGZPNX-UHFFFAOYSA-N 1 0 268.792 2.429 10 0 CEAERO Cc1ccc([C@@H]([C@@H](C)[NH3+])N2CC(=O)Nc3ccccc32)o1 ZINC000043363968 134899820 /nfs/dbraw/zinc/89/98/20/134899820.db2.gz WQYIPEIIFHJTDE-BDJLRTHQSA-N 1 0 285.347 2.435 10 0 CEAERO CC[C@@H](C)Oc1cccc(N2CCC[C@@H]([NH3+])C2=O)c1 ZINC000070495429 134951342 /nfs/dbraw/zinc/95/13/42/134951342.db2.gz DPUUKXAEKZSFRX-BXUZGUMPSA-N 1 0 262.353 2.318 10 0 CEAERO CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCOC2)c2ccccc21 ZINC000071324512 134963067 /nfs/dbraw/zinc/96/30/67/134963067.db2.gz DHAFQMYXOSJVHX-GXTWGEPZSA-N 1 0 274.364 2.110 10 0 CEAERO C[N@@H+]1CCC[C@@H]1CC(=O)N1CCCc2ccccc21 ZINC000082322406 135006542 /nfs/dbraw/zinc/00/65/42/135006542.db2.gz DECZTAJVDDJZDQ-CQSZACIVSA-N 1 0 258.365 2.450 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C)CN1c1cc(OC)cc(OC)c1 ZINC000083479477 135023960 /nfs/dbraw/zinc/02/39/60/135023960.db2.gz IWEFCGLQYXFMRY-VXGBXAGGSA-N 1 0 264.369 2.281 10 0 CEAERO Fc1cc(F)c(N2CC[NH2+][C@H](C3CC3)C2)c(F)c1 ZINC000088724301 135056422 /nfs/dbraw/zinc/05/64/22/135056422.db2.gz YHWSILXWYZTDIJ-LBPRGKRZSA-N 1 0 256.271 2.292 10 0 CEAERO C[NH2+]CCCCS(=O)(=O)N1c2ccccc2CC[C@H]1C ZINC000088914979 135057631 /nfs/dbraw/zinc/05/76/31/135057631.db2.gz LXPTZSKONGQUOZ-CYBMUJFWSA-N 1 0 296.436 2.157 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1Nc1ccccc1N1CCOCC1 ZINC000089148981 135058102 /nfs/dbraw/zinc/05/81/02/135058102.db2.gz KMSIVKPYMNPSDO-KBPBESRZSA-N 1 0 275.396 2.063 10 0 CEAERO Cc1nn(C)c(CN2C[C@@H]([NH3+])Cc3ccccc32)c1Cl ZINC000089247975 135058809 /nfs/dbraw/zinc/05/88/09/135058809.db2.gz XHNCTXGZEQKJSI-LBPRGKRZSA-N 1 0 290.798 2.272 10 0 CEAERO CN1C(=O)C[C@H]([NH2+]C[C@H]2CCC[C@@H]2CO)c2ccccc21 ZINC000089485224 135059218 /nfs/dbraw/zinc/05/92/18/135059218.db2.gz MGSVWUNSGMYKKD-NFAWXSAZSA-N 1 0 288.391 2.092 10 0 CEAERO CCCC[C@H](COC)[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000089732744 135060540 /nfs/dbraw/zinc/06/05/40/135060540.db2.gz WOMNQFWYHGFCTK-HUUCEWRRSA-N 1 0 292.427 2.240 10 0 CEAERO C[C@H](C[NH3+])CSCC(=O)N1CCCc2ccccc21 ZINC000090349565 135062852 /nfs/dbraw/zinc/06/28/52/135062852.db2.gz SYMDLEPCYXRGNF-GFCCVEGCSA-N 1 0 278.421 2.294 10 0 CEAERO Cc1cccc(N2CCN([C@@H]3C[NH2+]CC[C@@H]3C)CC2)c1 ZINC000090695435 135064097 /nfs/dbraw/zinc/06/40/97/135064097.db2.gz FATJMEXDKRIEKW-DOTOQJQBSA-N 1 0 273.424 2.115 10 0 CEAERO CCCOc1cc(N2CCCC[C@H]2CC[NH2+]C)ncn1 ZINC000090785243 135064934 /nfs/dbraw/zinc/06/49/34/135064934.db2.gz AIJVJRPOHCJSCL-ZDUSSCGKSA-N 1 0 278.400 2.234 10 0 CEAERO CCOc1cc(N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)nc(C)n1 ZINC000090787803 135065553 /nfs/dbraw/zinc/06/55/53/135065553.db2.gz FAOMDSNUDJUYPY-KBPBESRZSA-N 1 0 290.411 2.152 10 0 CEAERO C[C@@H]1CC[C@H](C)CN1c1cncc(C[NH2+]C2CC2)n1 ZINC000091422165 135069932 /nfs/dbraw/zinc/06/99/32/135069932.db2.gz AMOUTDPFWALTJN-NWDGAFQWSA-N 1 0 260.385 2.353 10 0 CEAERO C[NH2+]C[C@@H](C)[C@H](C)N1CCN(c2ccc(F)cc2)CC1 ZINC000093068390 135079154 /nfs/dbraw/zinc/07/91/54/135079154.db2.gz PXRSSNRSZKEQBV-KGLIPLIRSA-N 1 0 279.403 2.192 10 0 CEAERO [NH3+]Cc1c(F)cccc1N1CCCC[C@@H]1CCO ZINC000093395183 135080353 /nfs/dbraw/zinc/08/03/53/135080353.db2.gz BLILXFXCXMGKNB-LLVKDONJSA-N 1 0 252.333 2.026 10 0 CEAERO CC[C@@H]1CO[C@@H](C)CN1c1cccc(F)c1C[NH3+] ZINC000093395230 135080591 /nfs/dbraw/zinc/08/05/91/135080591.db2.gz ZNYPUEZHHUFQAC-WDEREUQCSA-N 1 0 252.333 2.288 10 0 CEAERO C[C@@H](C[C@@H]1CCC[NH2+]1)Nc1ccc(N2CCOCC2)cc1 ZINC000093462719 135080908 /nfs/dbraw/zinc/08/09/08/135080908.db2.gz NUHRZYJHRFXLTA-HOCLYGCPSA-N 1 0 289.423 2.466 10 0 CEAERO CC[N@@H+]1CCN(c2ccc(C(C)=O)c(O)c2)C[C@@H]1C ZINC000093669537 135081766 /nfs/dbraw/zinc/08/17/66/135081766.db2.gz HAURZYNAEYYUBT-NSHDSACASA-N 1 0 262.353 2.125 10 0 CEAERO CC1(C)CCC[C@]1(C[NH3+])N1CCN(c2ccccn2)CC1 ZINC000094309161 135085968 /nfs/dbraw/zinc/08/59/68/135085968.db2.gz SWJHRFBAEAHHAH-QGZVFWFLSA-N 1 0 288.439 2.111 10 0 CEAERO NC(=[NH2+])c1ccc(C(F)(F)F)nc1N1CCCCC1 ZINC000094336633 135086609 /nfs/dbraw/zinc/08/66/09/135086609.db2.gz ABLHHKIFPUWVMC-UHFFFAOYSA-N 1 0 272.274 2.375 10 0 CEAERO C[NH2+]Cc1cc(NC(C)C)ncc1Br ZINC000306206130 394514670 /nfs/dbraw/zinc/51/46/70/394514670.db2.gz PNZOGCYUARUMJA-UHFFFAOYSA-N 1 0 258.163 2.384 10 0 CEAERO CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000236780818 394487724 /nfs/dbraw/zinc/48/77/24/394487724.db2.gz BYZXMKRNNGEOAY-KGLIPLIRSA-N 1 0 264.344 2.303 10 0 CEAERO CC1(C)CC(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC(C)(C)[NH2+]1 ZINC000033606869 394492253 /nfs/dbraw/zinc/49/22/53/394492253.db2.gz OXAUHFISPWLGBV-BETUJISGSA-N 1 0 292.423 2.471 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)NCc2cccc(F)c2)C1 ZINC000052522236 394558101 /nfs/dbraw/zinc/55/81/01/394558101.db2.gz RFUBSRVOXDOYNF-AWEZNQCLSA-N 1 0 279.359 2.109 10 0 CEAERO C[C@]1(C(=O)N[C@H]2CCCc3ccccc32)CC[NH2+]C1 ZINC000062891380 394570866 /nfs/dbraw/zinc/57/08/66/394570866.db2.gz OKLSMPAAAZJITA-HOCLYGCPSA-N 1 0 258.365 2.180 10 0 CEAERO c1nc2n(n1)C[C@H]([NH2+][C@H]1CCCc3ccccc31)CC2 ZINC000105872130 285584203 /nfs/dbraw/zinc/58/42/03/285584203.db2.gz QVRKGODLADXGBG-HIFRSBDPSA-N 1 0 268.364 2.260 10 0 CEAERO CCCC[C@H](C(=O)OC)[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248164787 394537979 /nfs/dbraw/zinc/53/79/79/394537979.db2.gz STCMRKQKORCGNP-SQWLQELKSA-N 1 0 283.412 2.345 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccnn2C(C)C)C1 ZINC000049210939 394543334 /nfs/dbraw/zinc/54/33/34/394543334.db2.gz NWGFHCDPRVOMIG-LBPRGKRZSA-N 1 0 279.388 2.070 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cccc(C)c1O ZINC000092632797 394662096 /nfs/dbraw/zinc/66/20/96/394662096.db2.gz NJIINLYFVGJNLM-ZDUSSCGKSA-N 1 0 276.380 2.257 10 0 CEAERO FC(F)(F)c1cc(N2CC[C@@]3(CC[NH2+]C3)C2)ccn1 ZINC000261592641 394603386 /nfs/dbraw/zinc/60/33/86/394603386.db2.gz MMIYONXOBIMCRS-GFCCVEGCSA-N 1 0 271.286 2.290 10 0 CEAERO FC(F)(F)c1cccc(N2CC[C@]3(CC[NH2+]C3)C2)n1 ZINC000261590829 394603466 /nfs/dbraw/zinc/60/34/66/394603466.db2.gz LOOYIJSFQNMCGA-LBPRGKRZSA-N 1 0 271.286 2.290 10 0 CEAERO FC(F)(F)c1ccnc(N2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261613644 394604072 /nfs/dbraw/zinc/60/40/72/394604072.db2.gz SUTPSMZXIWWXBL-GXSJLCMTSA-N 1 0 271.286 2.289 10 0 CEAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccnc(Cl)c1 ZINC000083703891 394641010 /nfs/dbraw/zinc/64/10/10/394641010.db2.gz KUBWQSXCCOZWKM-WCQYABFASA-N 1 0 293.798 2.434 10 0 CEAERO COC[C@H](C)C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000109107809 394733332 /nfs/dbraw/zinc/73/33/32/394733332.db2.gz DFVYAQNCWNBXOB-GOEBONIOSA-N 1 0 296.455 2.430 10 0 CEAERO CCOc1nc2ccccc2nc1N1CCCC[C@@H]1C[NH3+] ZINC000095069699 394671713 /nfs/dbraw/zinc/67/17/13/394671713.db2.gz HEDOZIMRSFHTPI-GFCCVEGCSA-N 1 0 286.379 2.346 10 0 CEAERO CC1CCC(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000113578258 394747996 /nfs/dbraw/zinc/74/79/96/394747996.db2.gz GZRULLHCIYUUGR-OOJKYFRXSA-N 1 0 279.428 2.443 10 0 CEAERO CC(C)[C@@H](C)NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000115782836 394755985 /nfs/dbraw/zinc/75/59/85/394755985.db2.gz GKYDGMZYBWXRAU-CHWSQXEVSA-N 1 0 255.406 2.014 10 0 CEAERO CCC(CC)n1ccc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)n1 ZINC000281862993 394864453 /nfs/dbraw/zinc/86/44/53/394864453.db2.gz AORUXNPKJYSCRU-FZMZJTMJSA-N 1 0 278.400 2.001 10 0 CEAERO CC(C)Cc1ccc(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000415136678 394901434 /nfs/dbraw/zinc/90/14/34/394901434.db2.gz CZYGBHBNUUYTHQ-DLBZAZTESA-N 1 0 274.408 2.058 10 0 CEAERO Cc1nnc([C@@H](C)N2CC[N@@H+]3CCCC[C@@H]3C2)s1 ZINC000338273963 394910823 /nfs/dbraw/zinc/91/08/23/394910823.db2.gz HZCKHQJGEZVNAO-ZYHUDNBSSA-N 1 0 266.414 2.078 10 0 CEAERO CC[C@@H](O)C[NH+]1CCN([C@@H](C)c2ccccc2C)CC1 ZINC000133974306 394955585 /nfs/dbraw/zinc/95/55/85/394955585.db2.gz YDKBJJBPURHYOH-JKSUJKDBSA-N 1 0 276.424 2.445 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)CCOc1ccccc1Cl ZINC000423688833 394966143 /nfs/dbraw/zinc/96/61/43/394966143.db2.gz XGBOQIGOFMECNO-CMPLNLGQSA-N 1 0 282.771 2.057 10 0 CEAERO C[C@@H]1CCN(c2ccc(Br)cn2)C[C@@H]1C[NH3+] ZINC000163940185 395085039 /nfs/dbraw/zinc/08/50/39/395085039.db2.gz LVYHUVJKNOJFBR-ZJUUUORDSA-N 1 0 284.201 2.265 10 0 CEAERO C[C@@H]1CN(C(=O)CSCc2cccc(Cl)c2)C[C@@H]1[NH3+] ZINC000423962564 395035857 /nfs/dbraw/zinc/03/58/57/395035857.db2.gz UHLCPNUUAMREAW-MFKMUULPSA-N 1 0 298.839 2.379 10 0 CEAERO CCc1cc(CC)nc(N2CC[C@@H]([NH3+])[C@@H](CC)C2)n1 ZINC000382119725 395179878 /nfs/dbraw/zinc/17/98/78/395179878.db2.gz BLCROBPPZKJAAK-SMDDNHRTSA-N 1 0 262.401 2.165 10 0 CEAERO CC[C@H]1CN(c2ccc(OC(F)F)cn2)CC[C@H]1[NH3+] ZINC000380883856 395169374 /nfs/dbraw/zinc/16/93/74/395169374.db2.gz DCARYPYVPLPZAQ-GXSJLCMTSA-N 1 0 271.311 2.247 10 0 CEAERO O=C(CC[C@H]1CCC[NH2+]1)Nc1nc2c(s1)CCC2 ZINC000381274934 395174195 /nfs/dbraw/zinc/17/41/95/395174195.db2.gz SQRIFEJYNVHFOM-SECBINFHSA-N 1 0 265.382 2.103 10 0 CEAERO Cc1nnsc1CN[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000381870189 395178311 /nfs/dbraw/zinc/17/83/11/395178311.db2.gz LBKQTHSBAPYXBN-LBPRGKRZSA-N 1 0 290.436 2.457 10 0 CEAERO Cc1ccc(Br)c(C(=O)N2CC[C@H]([NH3+])[C@H]2C)c1 ZINC000310248036 292042674 /nfs/dbraw/zinc/04/26/74/292042674.db2.gz CYVDFKGPWHJCGQ-SKDRFNHKSA-N 1 0 297.196 2.319 10 0 CEAERO O[C@@H](CC1CCCC1)C[N@@H+]1C[C@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398798311 395238482 /nfs/dbraw/zinc/23/84/82/395238482.db2.gz QIEBABNBBNBNMV-FPCVCCKLSA-N 1 0 267.413 2.020 10 0 CEAERO CC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000390224038 395198967 /nfs/dbraw/zinc/19/89/67/395198967.db2.gz ZYPLXKNJFUWUOJ-AWEZNQCLSA-N 1 0 275.352 2.105 10 0 CEAERO COc1ccc([C@@H](C)[NH2+]C[C@@H](O)CSC)cc1OC ZINC000188219829 395312255 /nfs/dbraw/zinc/31/22/55/395312255.db2.gz AXGNLQOUYYOPPF-ZYHUDNBSSA-N 1 0 285.409 2.078 10 0 CEAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCCc3occc31)CC2 ZINC000192984158 395398036 /nfs/dbraw/zinc/39/80/36/395398036.db2.gz XXHNPZDHIBNGPH-WCQYABFASA-N 1 0 286.379 2.416 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)NCCc2cccc(C)c2)C1 ZINC000194794770 395448290 /nfs/dbraw/zinc/44/82/90/395448290.db2.gz QSICDFCYHMCGMD-INIZCTEOSA-N 1 0 289.423 2.321 10 0 CEAERO CCC1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000195131287 395460150 /nfs/dbraw/zinc/46/01/50/395460150.db2.gz IGCKNSFTXFYNNL-JXQTWKCFSA-N 1 0 267.417 2.349 10 0 CEAERO CCCCOC[C@@H](O)C[NH2+]C(C)(C)c1nc(C)cs1 ZINC000195188930 395461292 /nfs/dbraw/zinc/46/12/92/395461292.db2.gz HEGPBBHTQYZZIX-LBPRGKRZSA-N 1 0 286.441 2.454 10 0 CEAERO CCCCOC[C@H](O)C[N@H+](C)Cc1ccc(Cl)nc1 ZINC000195181264 395461351 /nfs/dbraw/zinc/46/13/51/395461351.db2.gz YRJNKIDJWUUIGL-CYBMUJFWSA-N 1 0 286.803 2.344 10 0 CEAERO CCCCOC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000195203044 395462167 /nfs/dbraw/zinc/46/21/67/395462167.db2.gz YDOWMMWGAYLTMO-JKSUJKDBSA-N 1 0 278.396 2.396 10 0 CEAERO N[C@@]1(c2cscn2)CC[N@H+](Cc2ccccc2)C1 ZINC000575470550 395664488 /nfs/dbraw/zinc/66/44/88/395664488.db2.gz DYMRHWPBVLRJLU-AWEZNQCLSA-N 1 0 259.378 2.203 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1cccc(S(N)(=O)=O)c1 ZINC000647348011 395708049 /nfs/dbraw/zinc/70/80/49/395708049.db2.gz AYOIYBTWUXEICK-OBCWZRDOSA-N 1 0 294.420 2.173 10 0 CEAERO C[C@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)c1cccc(Br)c1 ZINC000647942575 395780951 /nfs/dbraw/zinc/78/09/51/395780951.db2.gz LSVBSDMTLYYILQ-PTOFAABTSA-N 1 0 297.196 2.364 10 0 CEAERO CC(C)OC1CCC(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000649375592 396133013 /nfs/dbraw/zinc/13/30/13/396133013.db2.gz HQDLPQHDWGAYHT-VXGQWTEUSA-N 1 0 282.428 2.227 10 0 CEAERO 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CCCc1nc(CN2CC[N@@H+]3CCC[C@@H]3C2)cs1 ZINC000171640080 165050785 /nfs/dbraw/zinc/05/07/85/165050785.db2.gz YIYUIROTVIRKLO-CYBMUJFWSA-N 1 0 265.426 2.376 10 0 CEAERO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc3c(c2)CCC3)C[C@H]1C ZINC000172289961 165055595 /nfs/dbraw/zinc/05/55/95/165055595.db2.gz DGAKBOABUDEACS-HUUCEWRRSA-N 1 0 288.435 2.062 10 0 CEAERO CCSCC[C@H](C)NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000173628830 165078584 /nfs/dbraw/zinc/07/85/84/165078584.db2.gz JBWKJZWZUBTYAU-MELADBBJSA-N 1 0 299.484 2.396 10 0 CEAERO CC[NH+](CC)CC(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000173751459 165084055 /nfs/dbraw/zinc/08/40/55/165084055.db2.gz AQAIJQLRWHXQSV-CYBMUJFWSA-N 1 0 295.452 2.499 10 0 CEAERO CCCCc1nc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CC)no1 ZINC000175047383 165122299 /nfs/dbraw/zinc/12/22/99/165122299.db2.gz XKIKSLDBEBILAV-KBPBESRZSA-N 1 0 292.427 2.471 10 0 CEAERO COc1cccc([C@@H](C)[N@@H+]2CC[C@H](N3CCOCC3)C2)c1 ZINC000175740012 165143714 /nfs/dbraw/zinc/14/37/14/165143714.db2.gz LZSLZDVPQVKUCT-ZBFHGGJFSA-N 1 0 290.407 2.163 10 0 CEAERO COc1cccc([C@H](C)[N@@H+]2CC[C@H](N3CCOCC3)C2)c1 ZINC000175739997 165145442 /nfs/dbraw/zinc/14/54/42/165145442.db2.gz LZSLZDVPQVKUCT-HOCLYGCPSA-N 1 0 290.407 2.163 10 0 CEAERO Cc1ccccc1CCC[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000175910228 165148421 /nfs/dbraw/zinc/14/84/21/165148421.db2.gz LEFSSJQRMWFUCT-GOSISDBHSA-N 1 0 288.435 2.334 10 0 CEAERO CCCCCNC(=O)[C@H](C)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000177713123 165207627 /nfs/dbraw/zinc/20/76/27/165207627.db2.gz XKXUHNLQSWASAG-GJZGRUSLSA-N 1 0 283.460 2.097 10 0 CEAERO CCCCOC(=O)CC[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000178294268 165231894 /nfs/dbraw/zinc/23/18/94/165231894.db2.gz GHIJDRLRSUDEMO-HNNXBMFYSA-N 1 0 293.411 2.389 10 0 CEAERO COCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)C1CCC1 ZINC000178492354 165244877 /nfs/dbraw/zinc/24/48/77/165244877.db2.gz JNZYQKRLHZQEPV-ZYHUDNBSSA-N 1 0 264.373 2.038 10 0 CEAERO C[C@H](C(=O)N1CC[C@H](C[NH3+])C1)c1cc2ccccc2o1 ZINC000178554185 165248700 /nfs/dbraw/zinc/24/87/00/165248700.db2.gz KGEKJWBPZUZFIL-NWDGAFQWSA-N 1 0 272.348 2.344 10 0 CEAERO Cc1ccccc1OCCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178634370 165251234 /nfs/dbraw/zinc/25/12/34/165251234.db2.gz IRRMFTOFDBNFEB-OAHLLOKOSA-N 1 0 260.381 2.154 10 0 CEAERO CC[C@@H](C)c1ccccc1OCC(=O)NCC[C@@H](C)[NH3+] ZINC000178676105 165251741 /nfs/dbraw/zinc/25/17/41/165251741.db2.gz GCKPZCHVSACLCP-CHWSQXEVSA-N 1 0 278.396 2.432 10 0 CEAERO C[C@@H]([NH3+])CCNC(=O)c1ccc(N(C)c2ccccc2)nc1 ZINC000178698669 165258146 /nfs/dbraw/zinc/25/81/46/165258146.db2.gz USYBKPBGDJWMGT-CYBMUJFWSA-N 1 0 298.390 2.317 10 0 CEAERO CCOCC[N@@H+]1CCN(Cc2cnn(C(C)C)c2)C[C@@H]1C ZINC000179511352 165283697 /nfs/dbraw/zinc/28/36/97/165283697.db2.gz PZOITUMASWXLEX-HNNXBMFYSA-N 1 0 294.443 2.007 10 0 CEAERO CC[C@H](CSC)NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000179970174 165298198 /nfs/dbraw/zinc/29/81/98/165298198.db2.gz ZTKIZFSMFYFQHO-CHWSQXEVSA-N 1 0 285.457 2.008 10 0 CEAERO Cc1cccc(CCC[N@@H+]2CC[C@H](N3CCOCC3)C2)c1 ZINC000181120929 165332020 /nfs/dbraw/zinc/33/20/20/165332020.db2.gz CDJGYTRUVOPUON-SFHVURJKSA-N 1 0 288.435 2.334 10 0 CEAERO C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000182033740 165364036 /nfs/dbraw/zinc/36/40/36/165364036.db2.gz HYZDDSHRHKIBJW-AEFFLSMTSA-N 1 0 288.435 2.272 10 0 CEAERO CCC[C@H](C(=O)N[C@H]1CC(C)(C)OC1(C)C)[NH+](C)C ZINC000183102750 165382631 /nfs/dbraw/zinc/38/26/31/165382631.db2.gz HAUZIOSUCRHGRI-NEPJUHHUSA-N 1 0 270.417 2.179 10 0 CEAERO CCC[C@H](C)C[N@@H+]1CCCN(Cc2noc(C)n2)CC1 ZINC000183395506 165394312 /nfs/dbraw/zinc/39/43/12/165394312.db2.gz HLBCWORWNGHQSC-ZDUSSCGKSA-N 1 0 280.416 2.322 10 0 CEAERO CC[C@H](C)[C@H](C)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000183505696 165399114 /nfs/dbraw/zinc/39/91/14/165399114.db2.gz DBQMHAPLGTXTTC-MELADBBJSA-N 1 0 252.402 2.365 10 0 CEAERO C[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000247012119 287137714 /nfs/dbraw/zinc/13/77/14/287137714.db2.gz OQQDICDFPBYOTI-GXTWGEPZSA-N 1 0 296.361 2.432 10 0 CEAERO [NH2+]=C1N=C2Oc3ccccc3N2[C@H](c2ccccc2)N1 ZINC000002206792 169781723 /nfs/dbraw/zinc/78/17/23/169781723.db2.gz ITNNKGMGTODDLA-CYBMUJFWSA-N 1 0 264.288 2.269 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC(C)(C)C ZINC000246441711 287226627 /nfs/dbraw/zinc/22/66/27/287226627.db2.gz UEGUPOPZGAGXHE-OLZOCXBDSA-N 1 0 267.417 2.301 10 0 CEAERO O[C@H](C[NH+]1CCSCC1)c1c[nH]c2ccccc21 ZINC000005254777 170080166 /nfs/dbraw/zinc/08/01/66/170080166.db2.gz RIVOZKGUYRVVMB-CQSZACIVSA-N 1 0 262.378 2.250 10 0 CEAERO c1ccc2c(c1)nnn2[C@H]1OCC[C@@H]1C[NH+]1CCCC1 ZINC000005519938 170107717 /nfs/dbraw/zinc/10/77/17/170107717.db2.gz TZVDYQDSOTWYEH-DOMZBBRYSA-N 1 0 272.352 2.062 10 0 CEAERO C[N@@H+]1CCC[C@@H]1CCNC(=O)c1ccc(F)cc1 ZINC000005718782 170132755 /nfs/dbraw/zinc/13/27/55/170132755.db2.gz IIBQUVZQULWUBE-CYBMUJFWSA-N 1 0 250.317 2.040 10 0 CEAERO Cc1cc(N)ccc1NC(=O)C[N@H+]1CCC[C@H](C)C1 ZINC000006533752 170211424 /nfs/dbraw/zinc/21/14/24/170211424.db2.gz DPMALXCWLSGRAU-NSHDSACASA-N 1 0 261.369 2.248 10 0 CEAERO COc1ccccc1[C@@H](C[NH3+])S(=O)(=O)c1cccs1 ZINC000008031387 170315054 /nfs/dbraw/zinc/31/50/54/170315054.db2.gz JMMCXOYSAPUOEH-GFCCVEGCSA-N 1 0 297.401 2.230 10 0 CEAERO [NH3+]C[C@@H](c1ccccc1F)S(=O)(=O)c1ccc(F)cc1 ZINC000008031225 170315069 /nfs/dbraw/zinc/31/50/69/170315069.db2.gz LVQSRJXEFIUXMW-AWEZNQCLSA-N 1 0 297.326 2.439 10 0 CEAERO COc1cccc([C@H](C[NH3+])S(=O)(=O)c2ccccc2)c1 ZINC000008037238 170315709 /nfs/dbraw/zinc/31/57/09/170315709.db2.gz WPPTVQFWYAZHIM-HNNXBMFYSA-N 1 0 291.372 2.169 10 0 CEAERO COc1ccc(CCNC2=[NH+]CCCS2)cc1OC ZINC000008729591 170350134 /nfs/dbraw/zinc/35/01/34/170350134.db2.gz JIBKBJGYXUUFRN-UHFFFAOYSA-N 1 0 280.393 2.329 10 0 CEAERO Cn1ccnc1[C@@H]([NH3+])COc1ccc(Br)cc1 ZINC000011848585 170446739 /nfs/dbraw/zinc/44/67/39/170446739.db2.gz MGCSPEIHSLALIP-NSHDSACASA-N 1 0 296.168 2.261 10 0 CEAERO CCC(C)(C)[NH2+]Cc1ccc(OCCO)c(OC)c1 ZINC000013725202 170582349 /nfs/dbraw/zinc/58/23/49/170582349.db2.gz XCMFCFGTXYZGFU-UHFFFAOYSA-N 1 0 267.369 2.345 10 0 CEAERO COc1ccc(NC(=O)[C@H]2CC[C@H](C)[NH2+]C2)cc1OC ZINC000019425286 170794855 /nfs/dbraw/zinc/79/48/55/170794855.db2.gz PVIMLNGWRIHBNN-QWRGUYRKSA-N 1 0 278.352 2.030 10 0 CEAERO O=C([C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCc2ccccc21 ZINC000019432995 170797900 /nfs/dbraw/zinc/79/79/00/170797900.db2.gz YXYUASCANQBKCC-SOUVJXGZSA-N 1 0 270.376 2.496 10 0 CEAERO O=C(NCc1ccccc1F)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000019433364 170798496 /nfs/dbraw/zinc/79/84/96/170798496.db2.gz KCUMKOFKLIBMCO-TUKIKUTGSA-N 1 0 276.355 2.363 10 0 CEAERO Cc1cccc(C(=O)N(C)CC[C@H]2CCCC[NH2+]2)c1O ZINC000019843837 170892355 /nfs/dbraw/zinc/89/23/55/170892355.db2.gz UZNXMIALMOJMEC-CYBMUJFWSA-N 1 0 276.380 2.305 10 0 CEAERO C[C@@H]1CN(C[C@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C[C@H](C)O1 ZINC000020071816 170982387 /nfs/dbraw/zinc/98/23/87/170982387.db2.gz JPAXTNPVALZXLN-ZQNQSHIBSA-N 1 0 252.402 2.016 10 0 CEAERO COc1cccc(OC)c1C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000020181984 171045391 /nfs/dbraw/zinc/04/53/91/171045391.db2.gz HNVFREDLNPGVCP-LBPRGKRZSA-N 1 0 292.379 2.047 10 0 CEAERO CC(=O)NCC[NH2+]Cc1ccc(OCCC(C)C)cc1 ZINC000020185075 171048135 /nfs/dbraw/zinc/04/81/35/171048135.db2.gz CRCBTMGTKBHKDX-UHFFFAOYSA-N 1 0 278.396 2.337 10 0 CEAERO CCCCc1ccc([C@H](C)[NH2+]CCNS(C)(=O)=O)cc1 ZINC000020203791 171068184 /nfs/dbraw/zinc/06/81/84/171068184.db2.gz SSLDCGTYGSGXJX-ZDUSSCGKSA-N 1 0 298.452 2.229 10 0 CEAERO CC[NH+]1CCN(Cc2ccc3c(c2)CCCN3)CC1 ZINC000020247877 171100687 /nfs/dbraw/zinc/10/06/87/171100687.db2.gz TXQREBFQCOJEMP-UHFFFAOYSA-N 1 0 259.397 2.182 10 0 CEAERO Nc1ccccc1NC(=O)C[NH+]1CCCCCCC1 ZINC000020265042 171121688 /nfs/dbraw/zinc/12/16/88/171121688.db2.gz IGVYYKKQABPTAG-UHFFFAOYSA-N 1 0 261.369 2.473 10 0 CEAERO CCCc1ccc(OCCN2CCC([NH3+])CC2)cc1 ZINC000020266827 171123466 /nfs/dbraw/zinc/12/34/66/171123466.db2.gz IPJOKEBTRCDKNF-UHFFFAOYSA-N 1 0 262.397 2.441 10 0 CEAERO CCN(CC)C(=O)[C@@H](C)[NH2+]CCc1ccc(F)cc1 ZINC000020364476 171163201 /nfs/dbraw/zinc/16/32/01/171163201.db2.gz MLDOLKLFKIYOJX-GFCCVEGCSA-N 1 0 266.360 2.215 10 0 CEAERO [NH3+][C@H](c1nc2cc3c(cc2[nH]1)OCCO3)c1ccccc1 ZINC000020374856 171169938 /nfs/dbraw/zinc/16/99/38/171169938.db2.gz QQVNQUTUSQREMF-HNNXBMFYSA-N 1 0 281.315 2.382 10 0 CEAERO C[C@H]([NH3+])c1ccc(O[C@@H](C)C(=O)N2CCCCC2)cc1 ZINC000020419194 171183786 /nfs/dbraw/zinc/18/37/86/171183786.db2.gz PZXGMRCUOZXACS-STQMWFEESA-N 1 0 276.380 2.486 10 0 CEAERO CC(C)CNC(=O)[C@@H](C)Oc1ccccc1[C@H](C)[NH3+] ZINC000020419497 171184235 /nfs/dbraw/zinc/18/42/35/171184235.db2.gz LLSKFRVYXHQLOK-NWDGAFQWSA-N 1 0 264.369 2.246 10 0 CEAERO C(C[NH2+][C@H]1CN2CCC1CC2)COC1CCCCC1 ZINC000020441834 171205081 /nfs/dbraw/zinc/20/50/81/171205081.db2.gz FKVLDHNDJXZHSR-INIZCTEOSA-N 1 0 266.429 2.410 10 0 CEAERO Cc1ccc(F)c(NC(=O)[C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000020471996 171214507 /nfs/dbraw/zinc/21/45/07/171214507.db2.gz AKGKZUPIJCLMKU-GHMZBOCLSA-N 1 0 250.317 2.461 10 0 CEAERO CCCCN(CCCC)[C@H](C[NH3+])c1cnn(C)c1 ZINC000020484856 171224261 /nfs/dbraw/zinc/22/42/61/171224261.db2.gz YFJDCNDHQWEXST-CQSZACIVSA-N 1 0 252.406 2.322 10 0 CEAERO CC(C)[C@H](C)NS(=O)(=O)c1cccc([C@@H](C)[NH3+])c1 ZINC000020523651 171235914 /nfs/dbraw/zinc/23/59/14/171235914.db2.gz NJLMCPAPWDQISR-MNOVXSKESA-N 1 0 270.398 2.029 10 0 CEAERO CC1N=NC(=S)N1CCC[N@@H+]1CCCC[C@H]1C ZINC000020589306 171260306 /nfs/dbraw/zinc/26/03/06/171260306.db2.gz LFYLHTPLRNCEQA-SNVBAGLBSA-N 1 0 254.403 2.140 10 0 CEAERO CC[NH+](CC)CCC(=O)Nc1ccc(F)c(N)c1 ZINC000022151304 171358460 /nfs/dbraw/zinc/35/84/60/171358460.db2.gz NOWXZHHIWCETLX-UHFFFAOYSA-N 1 0 253.321 2.078 10 0 CEAERO CC[NH+](CC)CCCC(=O)Nc1ccc(F)c(N)c1 ZINC000022155921 171362356 /nfs/dbraw/zinc/36/23/56/171362356.db2.gz VFEKHJRSEVDQHP-UHFFFAOYSA-N 1 0 267.348 2.468 10 0 CEAERO Cc1c(N)cccc1NC(=O)C[N@H+]1CCC[C@H](C)C1 ZINC000022156508 171362959 /nfs/dbraw/zinc/36/29/59/171362959.db2.gz SFZXWCFRTWATMV-NSHDSACASA-N 1 0 261.369 2.248 10 0 CEAERO COc1cc(Br)c(CC2C[NH2+]C2)cc1OC ZINC000022158697 171363420 /nfs/dbraw/zinc/36/34/20/171363420.db2.gz OBNFGBUMYZAHMO-UHFFFAOYSA-N 1 0 286.169 2.228 10 0 CEAERO C[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccccc2C[NH3+])[C@@H]1C ZINC000022165817 171365649 /nfs/dbraw/zinc/36/56/49/171365649.db2.gz QFFMHZXKRHPIGI-YRGRVCCFSA-N 1 0 296.436 2.248 10 0 CEAERO C[C@H]1CN([C@@H](C[NH3+])c2ccc(C(F)(F)F)cc2)CCO1 ZINC000022174320 171369258 /nfs/dbraw/zinc/36/92/58/171369258.db2.gz QFKPWFZQQNXHCT-GWCFXTLKSA-N 1 0 288.313 2.426 10 0 CEAERO C[C@@H](OCC(F)(F)F)C(=O)Nc1cccc(C[NH3+])c1 ZINC000022175056 171369795 /nfs/dbraw/zinc/36/97/95/171369795.db2.gz KCFMUNNOJXJKCM-MRVPVSSYSA-N 1 0 276.258 2.051 10 0 CEAERO COc1ccc(NC(=O)CCC[NH+]2CCCCC2)c(N)c1 ZINC000022211198 171373285 /nfs/dbraw/zinc/37/32/85/171373285.db2.gz QTLNCFUHQXVFES-UHFFFAOYSA-N 1 0 291.395 2.482 10 0 CEAERO C[C@H]1CN([C@@H](C[NH3+])c2ccc(OC(F)F)cc2)CCO1 ZINC000022218418 171376876 /nfs/dbraw/zinc/37/68/76/171376876.db2.gz UWOKNOAYIVEAOZ-GWCFXTLKSA-N 1 0 286.322 2.009 10 0 CEAERO C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(C[NH3+])c1 ZINC000022219738 171377489 /nfs/dbraw/zinc/37/74/89/171377489.db2.gz MDKFJIDDDJBYJN-BXUZGUMPSA-N 1 0 282.409 2.002 10 0 CEAERO [NH3+]Cc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000022223562 171379483 /nfs/dbraw/zinc/37/94/83/171379483.db2.gz QISNXINIESRCOI-UHFFFAOYSA-N 1 0 298.314 2.224 10 0 CEAERO Cc1ccc([C@H]([NH3+])[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000022563426 171391290 /nfs/dbraw/zinc/39/12/90/171391290.db2.gz XJAVMNDZXOZFBP-HLPPOEQASA-N 1 0 262.397 2.493 10 0 CEAERO CCN(CC)C(=O)[C@H](C)[NH2+][C@H]1CCc2ccccc2C1 ZINC000035223335 172067541 /nfs/dbraw/zinc/06/75/41/172067541.db2.gz HNHQHSGKXAHTKQ-BBRMVZONSA-N 1 0 274.408 2.390 10 0 CEAERO CCC1(CC)CC(=O)N(CC[C@@H]2CCCC[NH2+]2)C1=O ZINC000035282618 172101384 /nfs/dbraw/zinc/10/13/84/172101384.db2.gz WPPBRLJUNSXZIL-LBPRGKRZSA-N 1 0 266.385 2.084 10 0 CEAERO [NH3+]Cc1c(N2CCCCCC2)nc2sccn12 ZINC000035429703 172198326 /nfs/dbraw/zinc/19/83/26/172198326.db2.gz AWOIWGMQXLENDG-UHFFFAOYSA-N 1 0 250.371 2.235 10 0 CEAERO CCN(c1nc2sccn2c1C[NH2+]C)C(C)C ZINC000035430093 172198535 /nfs/dbraw/zinc/19/85/35/172198535.db2.gz UHXMDNVIBNKBTF-UHFFFAOYSA-N 1 0 252.387 2.350 10 0 CEAERO C[NH2+][C@@H](c1ccc(OC)c(OC)c1)[C@@H]1CCCO1 ZINC000035463405 172211519 /nfs/dbraw/zinc/21/15/19/172211519.db2.gz RRQREHSEYLBPRR-JSGCOSHPSA-N 1 0 251.326 2.143 10 0 CEAERO C[NH2+][C@@H](c1ccc(OC)cc1OC)[C@@H]1CCCO1 ZINC000035489004 172223764 /nfs/dbraw/zinc/22/37/64/172223764.db2.gz NSHIZNZEGLYOGS-JSGCOSHPSA-N 1 0 251.326 2.143 10 0 CEAERO C[NH2+][C@@H](c1ccoc1C)c1ccc2c(c1)CC(=O)N2 ZINC000035495568 172228856 /nfs/dbraw/zinc/22/88/56/172228856.db2.gz MVNIYQPKLNCSIQ-OAHLLOKOSA-N 1 0 256.305 2.391 10 0 CEAERO C[NH2+][C@@H](CC(F)(F)F)c1ccc2[nH]c(=O)oc2c1 ZINC000035500762 172235161 /nfs/dbraw/zinc/23/51/61/172235161.db2.gz BCOWGCQPRAWZDQ-QMMMGPOBSA-N 1 0 260.215 2.334 10 0 CEAERO C[C@H](CO)[NH2+][C@H](c1ccccc1)c1ccc(O)cc1 ZINC000035603260 172292383 /nfs/dbraw/zinc/29/23/83/172292383.db2.gz OIEHASWIADSZES-MLGOLLRUSA-N 1 0 257.333 2.452 10 0 CEAERO CCNC(=O)[C@H](C)Oc1ccc(C)cc1[C@@H](C)[NH2+]C ZINC000035629513 172309777 /nfs/dbraw/zinc/30/97/77/172309777.db2.gz OGRXOXABDYEWBZ-NEPJUHHUSA-N 1 0 264.369 2.179 10 0 CEAERO Cc1ccc(O[C@H]2CCCCNC2=O)c([C@@H](C)[NH3+])c1 ZINC000035629398 172309917 /nfs/dbraw/zinc/30/99/17/172309917.db2.gz OXIZHDAAMFMYSW-RISCZKNCSA-N 1 0 262.353 2.062 10 0 CEAERO C[C@@H](O)c1ccc(N2CCC[N@H+](C)CC2)c(F)c1 ZINC000035631491 172313906 /nfs/dbraw/zinc/31/39/06/172313906.db2.gz TTYUZJCCSXXIKR-LLVKDONJSA-N 1 0 252.333 2.021 10 0 CEAERO [NH3+][C@H]1CC(=O)N(c2c(Cl)cccc2C(F)(F)F)C1 ZINC000035679897 172350617 /nfs/dbraw/zinc/35/06/17/172350617.db2.gz IIZFUQWCIIVQLC-LURJTMIESA-N 1 0 278.661 2.423 10 0 CEAERO [NH3+][C@@H]1CC(=O)N(c2ccccc2-c2ccccc2)C1 ZINC000035679726 172350739 /nfs/dbraw/zinc/35/07/39/172350739.db2.gz UFJGKWJNDBZDKW-CYBMUJFWSA-N 1 0 252.317 2.418 10 0 CEAERO CN(Cc1cccs1)C(=O)c1ccc(C[NH3+])cc1 ZINC000035717477 172371128 /nfs/dbraw/zinc/37/11/28/172371128.db2.gz IDMCITOIOYRFLQ-UHFFFAOYSA-N 1 0 260.362 2.479 10 0 CEAERO CCC[N@@H+]1CCC[C@@H]([C@@H](C)Nc2cnn(C)c2)C1 ZINC000035737414 172390417 /nfs/dbraw/zinc/39/04/17/172390417.db2.gz ANVYUZDVJZLMNZ-CHWSQXEVSA-N 1 0 250.390 2.343 10 0 CEAERO CC[NH2+][C@@H]1c2cccc(Cl)c2S(=O)(=O)C[C@H]1C ZINC000035761265 172399262 /nfs/dbraw/zinc/39/92/62/172399262.db2.gz ULFOTONYNSPVCY-KCJUWKMLSA-N 1 0 273.785 2.414 10 0 CEAERO Cc1csc(C[C@H]([NH3+])c2ccc3c(c2)OCCO3)n1 ZINC000036281192 172572385 /nfs/dbraw/zinc/57/23/85/172572385.db2.gz VNOPGQVTFVYWJL-NSHDSACASA-N 1 0 276.361 2.465 10 0 CEAERO C[C@@H]([NH2+]C1CC(c2ccccc2Br)C1)C(N)=O ZINC000036846790 172747334 /nfs/dbraw/zinc/74/73/34/172747334.db2.gz MGGGTBIRHFOTHG-XNWIYYODSA-N 1 0 297.196 2.159 10 0 CEAERO COc1cccc(SC[C@H](O)C[NH2+]C(C)C)c1 ZINC000036951335 172824514 /nfs/dbraw/zinc/82/45/14/172824514.db2.gz JGTBAZHKHUZOHT-LLVKDONJSA-N 1 0 255.383 2.146 10 0 CEAERO C[C@@H](NC(=O)CCCCC[NH3+])c1cccc(O)c1 ZINC000037005134 172865280 /nfs/dbraw/zinc/86/52/80/172865280.db2.gz FNNLAYUNBLIGCU-LLVKDONJSA-N 1 0 250.342 2.089 10 0 CEAERO C[C@@H]([NH3+])C(=O)Nc1c2ncsc2ccc1Cl ZINC000037008168 172865978 /nfs/dbraw/zinc/86/59/78/172865978.db2.gz MILLMVFMUJSKAC-RXMQYKEDSA-N 1 0 255.730 2.235 10 0 CEAERO CC[C@H](NC(=O)[C@H](C)[NH3+])c1ccc(Br)cc1 ZINC000037020769 172884137 /nfs/dbraw/zinc/88/41/37/172884137.db2.gz KHCCHJYUIAZOJQ-KWQFWETISA-N 1 0 285.185 2.364 10 0 CEAERO [NH3+]CCC(=O)Nc1c2nsnc2c(Cl)cc1Cl ZINC000037033800 172901493 /nfs/dbraw/zinc/90/14/93/172901493.db2.gz ATBOOEWJRHLZGE-UHFFFAOYSA-N 1 0 291.163 2.285 10 0 CEAERO [NH3+]C[C@H](N1CCC[C@@H]1c1ccncc1)C(F)(F)F ZINC000037169677 173004357 /nfs/dbraw/zinc/00/43/57/173004357.db2.gz CTABIQNZBHOGDK-MNOVXSKESA-N 1 0 259.275 2.108 10 0 CEAERO Cc1cccc([C@H](C[NH3+])N(C)[C@@H]2CCSC2)c1 ZINC000037174479 173008212 /nfs/dbraw/zinc/00/82/12/173008212.db2.gz KYSUHDLZXRJXAR-KGLIPLIRSA-N 1 0 250.411 2.432 10 0 CEAERO [NH3+]CC[C@@H](OCCOc1ccccc1)C(F)(F)F ZINC000037179297 173012970 /nfs/dbraw/zinc/01/29/70/173012970.db2.gz ARTDAJHNGHGAEE-LLVKDONJSA-N 1 0 263.259 2.362 10 0 CEAERO CN(C)CC[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000037184127 173016684 /nfs/dbraw/zinc/01/66/84/173016684.db2.gz YHENGIPIHDXORF-GFCCVEGCSA-N 1 0 299.212 2.424 10 0 CEAERO O=S1(=O)CC[C@@H]([NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000037188034 173017995 /nfs/dbraw/zinc/01/79/95/173017995.db2.gz JWMQZTNOUUXCOA-ZIAGYGMSSA-N 1 0 283.368 2.054 10 0 CEAERO Cc1ncsc1[C@H](C)[NH2+][C@H]1CN2CCC1CC2 ZINC000037211769 173033592 /nfs/dbraw/zinc/03/35/92/173033592.db2.gz VNLVQOYPKORQQI-JQWIXIFHSA-N 1 0 251.399 2.196 10 0 CEAERO CNC(=O)C[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000037224722 173044515 /nfs/dbraw/zinc/04/45/15/173044515.db2.gz NCLSDUPANGLGEG-GFCCVEGCSA-N 1 0 264.369 2.118 10 0 CEAERO Cc1nc2sccn2c1CNC[C@@H](C(C)C)[NH+](C)C ZINC000037233056 173051853 /nfs/dbraw/zinc/05/18/53/173051853.db2.gz LDYWUTLURLKQBG-LBPRGKRZSA-N 1 0 280.441 2.380 10 0 CEAERO C[NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000037242155 173057671 /nfs/dbraw/zinc/05/76/71/173057671.db2.gz VYMPXTGDMUZZNI-VIFPVBQESA-N 1 0 260.259 2.383 10 0 CEAERO COC(=O)c1ccccc1C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000037242274 173059217 /nfs/dbraw/zinc/05/92/17/173059217.db2.gz COBIOCBWSZMLED-SMDDNHRTSA-N 1 0 263.337 2.130 10 0 CEAERO COC(=O)CC[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000037252284 173064791 /nfs/dbraw/zinc/06/47/91/173064791.db2.gz RQVFXBIIGODXQW-AWEZNQCLSA-N 1 0 251.301 2.430 10 0 CEAERO COc1nc2sccn2c1C[NH2+][C@@H](C)C1CC1 ZINC000037259363 173070186 /nfs/dbraw/zinc/07/01/86/173070186.db2.gz YVNYGKSJVRFUDA-QMMMGPOBSA-N 1 0 251.355 2.293 10 0 CEAERO CC[N@H+](CC(=O)Nc1cc(N)ccc1Cl)C1CC1 ZINC000037273163 173084064 /nfs/dbraw/zinc/08/40/64/173084064.db2.gz DMTLCTVWVYKTLS-UHFFFAOYSA-N 1 0 267.760 2.345 10 0 CEAERO COc1ccccc1N(CCC[NH3+])C(=O)[C@H]1C[C@@H]1C ZINC000037298179 173101753 /nfs/dbraw/zinc/10/17/53/173101753.db2.gz IOCVKVFPTYRTJK-RYUDHWBXSA-N 1 0 262.353 2.033 10 0 CEAERO Nc1ccnn1[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000037325897 173126438 /nfs/dbraw/zinc/12/64/38/173126438.db2.gz OMEWSVXIFYTGBL-CQSZACIVSA-N 1 0 256.353 2.302 10 0 CEAERO [NH3+][C@H](c1ccccc1)c1ccc2c(c1)NC(=O)CO2 ZINC000037371365 173161327 /nfs/dbraw/zinc/16/13/27/173161327.db2.gz VBFDVBCUSDICBI-OAHLLOKOSA-N 1 0 254.289 2.066 10 0 CEAERO CC(C)[NH2+]CC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000037395999 173175890 /nfs/dbraw/zinc/17/58/90/173175890.db2.gz XONUZOSLPDHINH-ZJUUUORDSA-N 1 0 266.307 2.222 10 0 CEAERO CO[C@@H]1C[NH2+][C@@H](c2nc3cc(Br)ccc3[nH]2)C1 ZINC000037441250 173210784 /nfs/dbraw/zinc/21/07/84/173210784.db2.gz OANIAVVLVXYVSE-GZMMTYOYSA-N 1 0 296.168 2.375 10 0 CEAERO CCn1c2ccc(Br)cc2nc1[C@@H]([NH3+])[C@@H](C)O ZINC000037441512 173210880 /nfs/dbraw/zinc/21/08/80/173210880.db2.gz QLXMFGMLERPLPL-HQJQHLMTSA-N 1 0 298.184 2.199 10 0 CEAERO C[NH2+]Cc1nc2cc(Br)ccc2n1C ZINC000037441367 173210917 /nfs/dbraw/zinc/21/09/17/173210917.db2.gz MJSYZHSQCWHTLW-UHFFFAOYSA-N 1 0 254.131 2.055 10 0 CEAERO C[NH2+]CCCc1nc2cc(Br)ccc2n1C ZINC000037441415 173211567 /nfs/dbraw/zinc/21/15/67/173211567.db2.gz OECMITFTVLEYES-UHFFFAOYSA-N 1 0 282.185 2.488 10 0 CEAERO COc1cccc([C@H](C[NH2+][C@@H]2CCCC[C@@H]2O)N(C)C)c1 ZINC000037490937 173232119 /nfs/dbraw/zinc/23/21/19/173232119.db2.gz FIUZDKLIPQQODD-IKGGRYGDSA-N 1 0 292.423 2.191 10 0 CEAERO C[C@]12C[C@H](CC(C)(C)C1)N(C(=O)C[NH2+]C1CC1)C2 ZINC000037495207 173234708 /nfs/dbraw/zinc/23/47/08/173234708.db2.gz KVWALWIBDKRLIS-WFASDCNBSA-N 1 0 250.386 2.166 10 0 CEAERO C[N@@H+]1CCCC[C@H]1CC[NH2+]C1CCC(C(=O)[O-])CC1 ZINC000037561978 173272509 /nfs/dbraw/zinc/27/25/09/173272509.db2.gz BSXHSVDSUKWBCK-RUXDESIVSA-N 1 0 268.401 2.094 10 0 CEAERO C[NH2+][C@H](C)CCc1ccc(OCC(C)(C)O)cc1 ZINC000037707299 173627592 /nfs/dbraw/zinc/62/75/92/173627592.db2.gz VBKDQZLEEWAQHN-GFCCVEGCSA-N 1 0 251.370 2.377 10 0 CEAERO C[C@H](CN1CCCC1=O)[NH2+]CCCc1ccccc1 ZINC000037783016 173713880 /nfs/dbraw/zinc/71/38/80/173713880.db2.gz JSZJYMIXXRKTGD-CQSZACIVSA-N 1 0 260.381 2.220 10 0 CEAERO CCC[NH2+][C@H](C)c1cc(F)ccc1N(C)CCO ZINC000037899425 173827931 /nfs/dbraw/zinc/82/79/31/173827931.db2.gz ADZFURYTJQVASU-LLVKDONJSA-N 1 0 254.349 2.315 10 0 CEAERO CNC(=O)c1ccc(C[NH2+][C@H](CC(C)C)CN(C)C)cc1 ZINC000037927936 173867110 /nfs/dbraw/zinc/86/71/10/173867110.db2.gz RADYBGTVNCEIPP-MRXNPFEDSA-N 1 0 291.439 2.112 10 0 CEAERO Cc1noc(CN[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000038034231 174032937 /nfs/dbraw/zinc/03/29/37/174032937.db2.gz NVXNOMOOBFLJIP-OAHLLOKOSA-N 1 0 286.379 2.132 10 0 CEAERO C[C@@H](CN[C@@H](C)c1cc[nH]n1)C[NH+]1CCCCC1 ZINC000038041603 174043255 /nfs/dbraw/zinc/04/32/55/174043255.db2.gz NUCOFZMDKUDUMJ-STQMWFEESA-N 1 0 250.390 2.182 10 0 CEAERO CCN(CC)C(=O)c1cc(N[C@H]2CCCC[C@H]2[NH3+])ccn1 ZINC000038050785 174062021 /nfs/dbraw/zinc/06/20/21/174062021.db2.gz KMHTVDVBOXVUER-KGLIPLIRSA-N 1 0 290.411 2.245 10 0 CEAERO [NH3+]CCc1ccc(OCCn2cc(Cl)cn2)cc1 ZINC000038053344 174064956 /nfs/dbraw/zinc/06/49/56/174064956.db2.gz RIXBARRIAACRAN-UHFFFAOYSA-N 1 0 265.744 2.117 10 0 CEAERO CCC[NH2+]Cc1c(C)nn(C)c1-n1cc(Cl)cn1 ZINC000038053863 174065279 /nfs/dbraw/zinc/06/52/79/174065279.db2.gz WBMNVCGGFRWIOT-UHFFFAOYSA-N 1 0 267.764 2.067 10 0 CEAERO CC[C@H](C)[NH2+][C@](C)(C(N)=O)c1ccc(F)c(F)c1 ZINC000038065549 174075975 /nfs/dbraw/zinc/07/59/75/174075975.db2.gz OUXGOBVCGBOZNS-SDBXPKJASA-N 1 0 256.296 2.053 10 0 CEAERO CC[C@@H](C)[NH2+][C@@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000038065674 174076998 /nfs/dbraw/zinc/07/69/98/174076998.db2.gz VHFZWFXJVZSBQP-NOZJJQNGSA-N 1 0 254.761 2.429 10 0 CEAERO CC(C)CCC[NH2+]Cc1cc(C(N)=O)ccc1F ZINC000038093987 174107483 /nfs/dbraw/zinc/10/74/83/174107483.db2.gz MUCRPHCMUNDGJO-UHFFFAOYSA-N 1 0 252.333 2.450 10 0 CEAERO O[C@@H](C[NH2+]CC[C@@H]1CCCO1)c1c(F)cccc1F ZINC000038096830 174110883 /nfs/dbraw/zinc/11/08/83/174110883.db2.gz IWDQLOBABSXBPV-GWCFXTLKSA-N 1 0 271.307 2.157 10 0 CEAERO COCCn1c2ccc(C(F)(F)F)cc2nc1CC[NH3+] ZINC000040404868 174253940 /nfs/dbraw/zinc/25/39/40/174253940.db2.gz KXTYXOLJOHMQOT-UHFFFAOYSA-N 1 0 287.285 2.203 10 0 CEAERO Clc1ccc2c(c1)ncn2CCC[NH+]1CCOCC1 ZINC000040405956 174254205 /nfs/dbraw/zinc/25/42/05/174254205.db2.gz GLQLQLXAWTUZCA-UHFFFAOYSA-N 1 0 279.771 2.412 10 0 CEAERO CCOC(=O)c1c(C2CC2)csc1NC(=O)[C@@H](C)[NH3+] ZINC000040430902 174259680 /nfs/dbraw/zinc/25/96/80/174259680.db2.gz WURTZKAPFQCRCW-SSDOTTSWSA-N 1 0 282.365 2.088 10 0 CEAERO CSCC[C@H]([NH3+])C(=O)N1CCc2sccc2[C@H]1C ZINC000040469128 174277373 /nfs/dbraw/zinc/27/73/73/174277373.db2.gz LNWUPCSZWIKSFS-KOLCDFICSA-N 1 0 284.450 2.274 10 0 CEAERO COc1ccc([C@@H](C)NC(=O)C2([NH3+])CCCC2)cc1OC ZINC000040491290 174292281 /nfs/dbraw/zinc/29/22/81/174292281.db2.gz JZONZTQGIOAOLK-LLVKDONJSA-N 1 0 292.379 2.153 10 0 CEAERO CC(C)(C)C[NH2+]C[C@@H](O)COCc1cccs1 ZINC000040493172 174293016 /nfs/dbraw/zinc/29/30/16/174293016.db2.gz DTFNWQYWPKFSHD-LLVKDONJSA-N 1 0 257.399 2.261 10 0 CEAERO CC(C)[C@@H]([NH3+])C(=O)N(Cc1ccsc1)C1CC1 ZINC000040492087 174293037 /nfs/dbraw/zinc/29/30/37/174293037.db2.gz FKGNHSRLHZCJRG-GFCCVEGCSA-N 1 0 252.383 2.222 10 0 CEAERO CCCO[C@@H]1CCCN(C(=O)CCCCCC[NH3+])C1 ZINC000040501405 174297480 /nfs/dbraw/zinc/29/74/80/174297480.db2.gz HSCNAPSBZKEBEL-CQSZACIVSA-N 1 0 270.417 2.313 10 0 CEAERO Cc1cc(C)c(C(N)=S)c(N[C@H](C)[C@@H]2CCCO2)[nH+]1 ZINC000040510307 174304040 /nfs/dbraw/zinc/30/40/40/174304040.db2.gz JXJJIZNSMFTURI-MNOVXSKESA-N 1 0 279.409 2.312 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)N[C@@H](C)c1sc(C)nc1C ZINC000040519124 174308369 /nfs/dbraw/zinc/30/83/69/174308369.db2.gz OEJNCZGNEFTQNL-SCZZXKLOSA-N 1 0 269.414 2.325 10 0 CEAERO Cc1nc(C)c([C@H](C)[NH2+]CC(=O)N2CCCCC2)s1 ZINC000040518873 174308395 /nfs/dbraw/zinc/30/83/95/174308395.db2.gz HBIPAZRKXMBFQD-JTQLQIEISA-N 1 0 281.425 2.423 10 0 CEAERO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000040629959 174357624 /nfs/dbraw/zinc/35/76/24/174357624.db2.gz XOXGFEPYCKFRGK-GZMMTYOYSA-N 1 0 289.162 2.309 10 0 CEAERO Cn1ccnc1CC[NH2+]Cc1ccc(F)cc1F ZINC000040638520 174363087 /nfs/dbraw/zinc/36/30/87/174363087.db2.gz CYLJVTFWYKFOSE-UHFFFAOYSA-N 1 0 251.280 2.031 10 0 CEAERO CCCNC(=O)[C@@H](C)[NH2+]Cc1cccc(OC(C)C)c1 ZINC000040640369 174364019 /nfs/dbraw/zinc/36/40/19/174364019.db2.gz BWANRWOXGNLVOV-CYBMUJFWSA-N 1 0 278.396 2.478 10 0 CEAERO CC(C)Oc1cccc([C@H](C[NH3+])N2CCOC[C@@H]2C)c1 ZINC000040641177 174364666 /nfs/dbraw/zinc/36/46/66/174364666.db2.gz KVCNUOIWROUYIA-BBRMVZONSA-N 1 0 278.396 2.194 10 0 CEAERO CN(C)C(C)(C)C[NH2+][C@H]1CCN(CCc2ccccc2)C1 ZINC000040671247 174369113 /nfs/dbraw/zinc/36/91/13/174369113.db2.gz SCQGSAJXVNYTLK-KRWDZBQOSA-N 1 0 289.467 2.233 10 0 CEAERO C[N@@H+]1CCC[C@@H](NC(=O)c2cc3cc(N)ccc3s2)C1 ZINC000040671599 174369447 /nfs/dbraw/zinc/36/94/47/174369447.db2.gz ZMXSQMAFHZOPRW-GFCCVEGCSA-N 1 0 289.404 2.308 10 0 CEAERO CN1CCC[C@@H]([NH2+]Cc2ccccc2N2CCCC2)C1 ZINC000040672932 174371098 /nfs/dbraw/zinc/37/10/98/174371098.db2.gz RAFPTGHLPFLTEP-MRXNPFEDSA-N 1 0 273.424 2.471 10 0 CEAERO C[C@@H]([NH2+][C@H]1CCCN(C)C1)c1ccc2c(c1)CCO2 ZINC000040673092 174371431 /nfs/dbraw/zinc/37/14/31/174371431.db2.gz ICYQDFWEVCEBAT-DOMZBBRYSA-N 1 0 260.381 2.366 10 0 CEAERO CC(C)([NH2+]Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000040674037 174371846 /nfs/dbraw/zinc/37/18/46/174371846.db2.gz PCWZOYHXGXUDCW-UHFFFAOYSA-N 1 0 260.259 2.059 10 0 CEAERO CCOC1CC[NH+]([C@]2(CN)CCCC[C@H]2C)CC1 ZINC000040678811 174374959 /nfs/dbraw/zinc/37/49/59/174374959.db2.gz YVWOOCLIXHANFR-HIFRSBDPSA-N 1 0 254.418 2.395 10 0 CEAERO CCOC1CCN([C@H](C[NH3+])c2ccc(C)cc2)CC1 ZINC000040689104 174376020 /nfs/dbraw/zinc/37/60/20/174376020.db2.gz IIMMKXYHLJMNMX-MRXNPFEDSA-N 1 0 262.397 2.496 10 0 CEAERO Cc1ccc(Nc2nc[nH+]c(NN)c2N)cc1Cl ZINC000040703753 174378902 /nfs/dbraw/zinc/37/89/02/174378902.db2.gz ZYTAHLWPVQHPDB-UHFFFAOYSA-N 1 0 264.720 2.050 10 0 CEAERO C[NH2+]Cc1c(Oc2ccc(CO)cc2)nc2ccccn21 ZINC000040711265 174381037 /nfs/dbraw/zinc/38/10/37/174381037.db2.gz PUJGPPBCTDEWJH-UHFFFAOYSA-N 1 0 283.331 2.338 10 0 CEAERO C[NH+](C)C[C@@H](O)CNc1ccc(F)c(C(F)(F)F)c1 ZINC000040712841 174381039 /nfs/dbraw/zinc/38/10/39/174381039.db2.gz IMNPQTDYMWAHJE-VIFPVBQESA-N 1 0 280.265 2.179 10 0 CEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N2CC[C@@H](C)C2)cc1 ZINC000040725538 174386920 /nfs/dbraw/zinc/38/69/20/174386920.db2.gz ZXLZIHAFYBHQRW-CYBMUJFWSA-N 1 0 296.436 2.217 10 0 CEAERO Cc1nn([C@H]2COc3ccccc3[C@@H]2[NH3+])c(C)c1C ZINC000040729832 174388171 /nfs/dbraw/zinc/38/81/71/174388171.db2.gz FAKCXUPJEMFVNN-ZFWWWQNUSA-N 1 0 257.337 2.442 10 0 CEAERO O=C(Nc1ccc(F)cc1F)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040740848 174390765 /nfs/dbraw/zinc/39/07/65/174390765.db2.gz RVNRFSUURIOLSM-ZACCUICWSA-N 1 0 281.306 2.369 10 0 CEAERO CN(Cc1nnc(-c2ccco2)o1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746884 174392132 /nfs/dbraw/zinc/39/21/32/174392132.db2.gz KPDCWDGZHABQEK-FOSCPWQOSA-N 1 0 288.351 2.044 10 0 CEAERO CN(Cc1nc2ccccc2[nH]1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747039 174392447 /nfs/dbraw/zinc/39/24/47/174392447.db2.gz UJYLRWSTQNDSPR-FUNVUKJBSA-N 1 0 270.380 2.278 10 0 CEAERO CCN(C(=O)C[C@H]1C=CCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747762 174392785 /nfs/dbraw/zinc/39/27/85/174392785.db2.gz RCCYPMGHZYIRTD-RDGKXADDSA-N 1 0 262.397 2.474 10 0 CEAERO Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2CC([NH3+])C3)c(C)c1 ZINC000040749565 174394475 /nfs/dbraw/zinc/39/44/75/174394475.db2.gz ZCGBYKMXVKEWIA-AGUYFDCRSA-N 1 0 258.365 2.398 10 0 CEAERO Cc1ccc(Oc2nc[nH+]c(NN(C)C)c2N)cc1C ZINC000040760148 174396685 /nfs/dbraw/zinc/39/66/85/174396685.db2.gz WTXJIBYPMMFFMP-UHFFFAOYSA-N 1 0 273.340 2.356 10 0 CEAERO Cc1ccc(Oc2nc[nH+]c(NN(C)C)c2N)cc1 ZINC000040760055 174396926 /nfs/dbraw/zinc/39/69/26/174396926.db2.gz WUMOUELABOMXNJ-UHFFFAOYSA-N 1 0 259.313 2.048 10 0 CEAERO CCCc1cc(N(CC[NH3+])Cc2ccccc2)ncn1 ZINC000040765487 174397510 /nfs/dbraw/zinc/39/75/10/174397510.db2.gz ITJZNGUFKVQFID-UHFFFAOYSA-N 1 0 270.380 2.394 10 0 CEAERO COc1ccc([C@@H](C)[NH3+])cc1COC1CCOCC1 ZINC000040992624 174445791 /nfs/dbraw/zinc/44/57/91/174445791.db2.gz QPEUBYJAQJTHEB-LLVKDONJSA-N 1 0 265.353 2.411 10 0 CEAERO C[C@@H]1CCCN(c2ncnc3ccccc32)[C@@H]1C[NH3+] ZINC000070178391 414768447 /nfs/dbraw/zinc/76/84/47/414768447.db2.gz KXUOGOTVLFMLJF-BXUZGUMPSA-N 1 0 256.353 2.193 10 0 CEAERO Fc1cc(Cl)ccc1CN1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404289482 414778891 /nfs/dbraw/zinc/77/88/91/414778891.db2.gz ZPDPTFPMDXHCLM-ZIAGYGMSSA-N 1 0 284.762 2.042 10 0 CEAERO C[C@H](OCc1ccccc1)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000404549709 414786782 /nfs/dbraw/zinc/78/67/82/414786782.db2.gz OXFQWEVNCCTEJH-AWEZNQCLSA-N 1 0 298.386 2.367 10 0 CEAERO CCC1(CC)CCCN(C(=O)[C@]2(COC)CCC[NH2+]2)C1 ZINC000662884936 414787858 /nfs/dbraw/zinc/78/78/58/414787858.db2.gz QWSXKAHSAYZYKY-MRXNPFEDSA-N 1 0 282.428 2.184 10 0 CEAERO CCc1ccc(OCCCN2CCC[NH2+]CC2)cc1 ZINC000041355104 174533353 /nfs/dbraw/zinc/53/33/53/174533353.db2.gz KRROCWIEGFJHGU-UHFFFAOYSA-N 1 0 262.397 2.313 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CC2CCC1CC2 ZINC000400188673 414747482 /nfs/dbraw/zinc/74/74/82/414747482.db2.gz YFYYJPCXJIGRRK-CLRIEMFWSA-N 1 0 252.402 2.302 10 0 CEAERO [NH3+]C1CCC(c2nc(Cc3cccnc3)no2)CC1 ZINC000053133450 414749347 /nfs/dbraw/zinc/74/93/47/414749347.db2.gz AJWUIWUREWXPEM-UHFFFAOYSA-N 1 0 258.325 2.040 10 0 CEAERO Cc1cc(C(C)C)nc(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000122611226 414790228 /nfs/dbraw/zinc/79/02/28/414790228.db2.gz HPHUEAWAHBAYJS-MJBXVCDLSA-N 1 0 274.412 2.472 10 0 CEAERO Cc1ccc(C)c(C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)c1 ZINC000662974785 414815352 /nfs/dbraw/zinc/81/53/52/414815352.db2.gz ACHXQUDADIQJTP-NSHDSACASA-N 1 0 274.286 2.265 10 0 CEAERO C[C@H]([NH3+])CNc1ccnc2cc(Br)cnc21 ZINC000130605079 414815959 /nfs/dbraw/zinc/81/59/59/414815959.db2.gz QAPPQEUDOJHGFI-ZETCQYMHSA-N 1 0 281.157 2.151 10 0 CEAERO CC1(C)CC[C@@H]([NH2+]C[C@@H](O)COCc2ccco2)C1 ZINC000132424104 414819753 /nfs/dbraw/zinc/81/97/53/414819753.db2.gz FMZFOVIIMVCULK-CHWSQXEVSA-N 1 0 267.369 2.325 10 0 CEAERO O=c1ccc(Br)cn1CC[C@H]1CCCC[NH2+]1 ZINC000041630967 174586805 /nfs/dbraw/zinc/58/68/05/174586805.db2.gz VUKYADDUTNUKOX-LLVKDONJSA-N 1 0 285.185 2.143 10 0 CEAERO Cc1nc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)co1 ZINC000660464478 414835265 /nfs/dbraw/zinc/83/52/65/414835265.db2.gz LLTKINIFUFEALW-RRFJBIMHSA-N 1 0 264.369 2.499 10 0 CEAERO C[NH2+][C@H](C)c1cccc(NC(=O)NCCCOC)c1 ZINC000041712774 174613700 /nfs/dbraw/zinc/61/37/00/174613700.db2.gz WJTJKNHKRQCRPX-LLVKDONJSA-N 1 0 265.357 2.125 10 0 CEAERO OCC[N@H+](C[C@@H]1CCC[C@H](O)C1)C1CCCCC1 ZINC000311097112 414857441 /nfs/dbraw/zinc/85/74/41/414857441.db2.gz JJDFUAILOIARMH-HIFRSBDPSA-N 1 0 255.402 2.165 10 0 CEAERO COc1cccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1F ZINC000311694696 414861027 /nfs/dbraw/zinc/86/10/27/414861027.db2.gz SUJBSSFBPCMDIZ-UHTWSYAYSA-N 1 0 264.344 2.003 10 0 CEAERO CCC[C@H]1CCCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653097572 414906533 /nfs/dbraw/zinc/90/65/33/414906533.db2.gz QQHZVOIKIODVIB-QJPTWQEYSA-N 1 0 292.345 2.423 10 0 CEAERO CN(CC(=O)Nc1cccc(Cl)c1)c1cc[nH+]cc1N ZINC000042141479 174641276 /nfs/dbraw/zinc/64/12/76/174641276.db2.gz KWRHUWVICJGCFP-UHFFFAOYSA-N 1 0 290.754 2.392 10 0 CEAERO CCCNC(=O)[C@@H](C)Oc1ccc(C[NH3+])cc1Cl ZINC000042302963 174678856 /nfs/dbraw/zinc/67/88/56/174678856.db2.gz LCKJETUSIUQQSM-SECBINFHSA-N 1 0 270.760 2.092 10 0 CEAERO CC(C)n1ccnc1C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000657372252 414892072 /nfs/dbraw/zinc/89/20/72/414892072.db2.gz DXGBGNLZHWYZSN-STQMWFEESA-N 1 0 251.374 2.105 10 0 CEAERO CC(C)[C@H]([NH3+])CCNc1ncncc1Br ZINC000663276483 414901146 /nfs/dbraw/zinc/90/11/46/414901146.db2.gz ZLCYHNQUQPEQDB-SECBINFHSA-N 1 0 273.178 2.024 10 0 CEAERO C[NH2+]C[C@H](C)Nc1cc(C)c(Br)cn1 ZINC000663279472 414903238 /nfs/dbraw/zinc/90/32/38/414903238.db2.gz RBOXKBOIFZEVIJ-QMMMGPOBSA-N 1 0 258.163 2.172 10 0 CEAERO C[C@@H](CN(C)c1c(F)c(F)c(F)c(F)c1F)C(N)=[NH2+] ZINC000042459983 174750654 /nfs/dbraw/zinc/75/06/54/174750654.db2.gz QEXHCFVYLVWSDV-BYPYZUCNSA-N 1 0 281.228 2.390 10 0 CEAERO CC(C)[N@H+](CCC(N)=S)[C@H](C)C(=O)NC1CCCCC1 ZINC000042529112 174778888 /nfs/dbraw/zinc/77/88/88/174778888.db2.gz HMEBSKAJJTZKAA-GFCCVEGCSA-N 1 0 299.484 2.210 10 0 CEAERO CC(C)c1ccc(C[NH2+]C[C@@H]2CC(=O)N(C)C2)cc1 ZINC000657693415 415049762 /nfs/dbraw/zinc/04/97/62/415049762.db2.gz CBTNUIZKJJDEOX-AWEZNQCLSA-N 1 0 260.381 2.378 10 0 CEAERO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1ccc(Cl)cc1 ZINC000657695133 415050548 /nfs/dbraw/zinc/05/05/48/415050548.db2.gz ISAQWGOSJWPBBM-MNOVXSKESA-N 1 0 266.772 2.469 10 0 CEAERO C[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1ccc(Cl)cc1 ZINC000657695135 415051375 /nfs/dbraw/zinc/05/13/75/415051375.db2.gz ISAQWGOSJWPBBM-WDEREUQCSA-N 1 0 266.772 2.469 10 0 CEAERO COCc1nc(C[NH2+]C[C@H]2CCOC2(C)C)cs1 ZINC000657786227 415076606 /nfs/dbraw/zinc/07/66/06/415076606.db2.gz RHAVUZGZBSGDSP-SNVBAGLBSA-N 1 0 270.398 2.194 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(F)cc1)N(C)Cc1cnn(C)c1 ZINC000042915170 174914593 /nfs/dbraw/zinc/91/45/93/174914593.db2.gz XNLPXQOHMFDFEP-HZPDHXFCSA-N 1 0 290.386 2.470 10 0 CEAERO C[C@H]([NH3+])[C@H](c1ccc(F)cc1)N(C)C[C@@H]1CCCO1 ZINC000042915098 174915009 /nfs/dbraw/zinc/91/50/09/174915009.db2.gz MICJKDLBZDWRPL-TUKIKUTGSA-N 1 0 266.360 2.325 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1cccc(F)c1)N1CCSCC1 ZINC000042971138 174934409 /nfs/dbraw/zinc/93/44/09/174934409.db2.gz SRXOJTFRFXCRDH-ZWNOBZJWSA-N 1 0 254.374 2.263 10 0 CEAERO CCOC1CCC([NH2+][C@H]2CCCN(CC)C2)CC1 ZINC000657844252 415103449 /nfs/dbraw/zinc/10/34/49/415103449.db2.gz HTQZWZXEKBRFDC-SLTAFYQDSA-N 1 0 254.418 2.408 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccccc1OC)N(C)[C@@H](C)COC ZINC000043098106 174965871 /nfs/dbraw/zinc/96/58/71/174965871.db2.gz FMMCYMVDFAIUDQ-DUVNUKRYSA-N 1 0 280.412 2.440 10 0 CEAERO COc1ccccc1[C@@H](Sc1nncn1C)[C@@H](C)[NH3+] ZINC000043101056 174967693 /nfs/dbraw/zinc/96/76/93/174967693.db2.gz CQHAZKYZJFYCQC-SKDRFNHKSA-N 1 0 278.381 2.004 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1cccs1)N(C)Cc1cnn(C)c1 ZINC000043105613 174971349 /nfs/dbraw/zinc/97/13/49/174971349.db2.gz YCQHIJXQCBTTEC-GXTWGEPZSA-N 1 0 278.425 2.392 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1cnn(C)c1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000043128097 174978996 /nfs/dbraw/zinc/97/89/96/174978996.db2.gz KYYKNRHBXPUJAQ-AYDFFVQHSA-N 1 0 276.428 2.321 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Oc1ccccc1F)c1cnn(C)c1 ZINC000043233659 174986462 /nfs/dbraw/zinc/98/64/62/174986462.db2.gz NGSBORSRWBHKFR-JSGCOSHPSA-N 1 0 263.316 2.417 10 0 CEAERO C[C@@H]([NH3+])[C@@H](OC1CCC(C)CC1)c1cnn(C)c1 ZINC000043234688 174986924 /nfs/dbraw/zinc/98/69/24/174986924.db2.gz SHQFCMMJQXDFLE-JNOYHGBFSA-N 1 0 251.374 2.404 10 0 CEAERO CON(C)[C@@H](c1ccc(Br)s1)[C@@H](C)[NH3+] ZINC000043261020 174995566 /nfs/dbraw/zinc/99/55/66/174995566.db2.gz LMGWVJCRZFLIDO-HZGVNTEJSA-N 1 0 279.203 2.392 10 0 CEAERO CC(=O)Nc1ccccc1O[C@H](C[NH3+])C(C)(C)C ZINC000043296031 174998818 /nfs/dbraw/zinc/99/88/18/174998818.db2.gz NGPPECZLRZIFSX-CYBMUJFWSA-N 1 0 250.342 2.397 10 0 CEAERO [NH3+][C@@H](c1ccccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000043299903 175000280 /nfs/dbraw/zinc/00/02/80/175000280.db2.gz PSMBNAWYTCOPES-GZMMTYOYSA-N 1 0 293.310 2.140 10 0 CEAERO CC[NH2+][C@H](c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000043300988 175001633 /nfs/dbraw/zinc/00/16/33/175001633.db2.gz FWJJNIGWFWWCAS-GWCFXTLKSA-N 1 0 287.812 2.425 10 0 CEAERO CC[C@@H]1CO[C@H](C)CN1[C@@H](c1ccco1)[C@@H](C)[NH3+] ZINC000043334965 175011378 /nfs/dbraw/zinc/01/13/78/175011378.db2.gz FIEAKASWZCBMGH-HKUMRIAESA-N 1 0 252.358 2.167 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccco1)N1CCOCC1(C)C ZINC000043335707 175011444 /nfs/dbraw/zinc/01/14/44/175011444.db2.gz SMIIOMCLRCZNCI-AAEUAGOBSA-N 1 0 252.358 2.169 10 0 CEAERO C[C@H]([NH3+])[C@H](Oc1cccc(S(C)(=O)=O)c1)c1ccco1 ZINC000043337849 175012576 /nfs/dbraw/zinc/01/25/76/175012576.db2.gz LARCWPACZXGZNY-HZMBPMFUSA-N 1 0 295.360 2.150 10 0 CEAERO C[C@H]([NH3+])[C@@H](Oc1ccc(S(C)(=O)=O)cc1)c1ccco1 ZINC000043337841 175012584 /nfs/dbraw/zinc/01/25/84/175012584.db2.gz JUYAUPTXLIQEHN-IINYFYTJSA-N 1 0 295.360 2.150 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccccn1)N(C)[C@@H]1CCSC1 ZINC000043339156 175013423 /nfs/dbraw/zinc/01/34/23/175013423.db2.gz PGRBGHIIRFSKMI-YRGRVCCFSA-N 1 0 265.426 2.297 10 0 CEAERO [NH3+]C[C@@H](c1ccccn1)N1CCC[C@@H]1c1cccnc1 ZINC000043339364 175013750 /nfs/dbraw/zinc/01/37/50/175013750.db2.gz MVRASFKTZRBIBU-CVEARBPZSA-N 1 0 268.364 2.314 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccccn1)n1cc(Br)cn1 ZINC000043341483 175015078 /nfs/dbraw/zinc/01/50/78/175015078.db2.gz QEPINCBMPHXMIF-ZYHUDNBSSA-N 1 0 295.184 2.367 10 0 CEAERO C[C@H]([NH3+])[C@H](c1ccccn1)n1cnc2ccccc21 ZINC000043341334 175015222 /nfs/dbraw/zinc/01/52/22/175015222.db2.gz GNYNUXNDNXPIBU-XHDPSFHLSA-N 1 0 252.321 2.368 10 0 CEAERO C[C@H]([NH3+])[C@H](c1cccnc1)N(C)CCc1ccccn1 ZINC000043345937 175017092 /nfs/dbraw/zinc/01/70/92/175017092.db2.gz NQOWNKNKLCPIRN-XJKSGUPXSA-N 1 0 270.380 2.039 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1cccnc1)N(C)Cc1ccccn1 ZINC000043346497 175017379 /nfs/dbraw/zinc/01/73/79/175017379.db2.gz FKAOFEQVHQKHDN-JKSUJKDBSA-N 1 0 270.380 2.387 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cccnc1)N(C)Cc1cc(C)on1 ZINC000043346920 175017465 /nfs/dbraw/zinc/01/74/65/175017465.db2.gz GJSXLAIQCFOAKA-CABCVRRESA-N 1 0 274.368 2.288 10 0 CEAERO Cc1nc2ccccc2n1[C@H](C[NH3+])c1cccnc1 ZINC000043348790 175018912 /nfs/dbraw/zinc/01/89/12/175018912.db2.gz SBDBIJZNXFGCGT-OAHLLOKOSA-N 1 0 252.321 2.288 10 0 CEAERO Cc1ncsc1CCO[C@@H](c1cccnc1)[C@H](C)[NH3+] ZINC000043350375 175019126 /nfs/dbraw/zinc/01/91/26/175019126.db2.gz KYLJGRYXACTHGN-IINYFYTJSA-N 1 0 277.393 2.494 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1nccn1C)c1cccnc1 ZINC000043351631 175019557 /nfs/dbraw/zinc/01/95/57/175019557.db2.gz CZVQOZQNLHVVOL-RYUDHWBXSA-N 1 0 262.382 2.386 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccncc1)N1CCCC[C@@H]1CCO ZINC000043353071 175020149 /nfs/dbraw/zinc/02/01/49/175020149.db2.gz OPGVBXBOUOTWIU-OAGGEKHMSA-N 1 0 277.412 2.097 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccncc1)N(C)Cc1cccnc1 ZINC000043353488 175021021 /nfs/dbraw/zinc/02/10/21/175021021.db2.gz CIRFVGMYHBDTFV-HOTGVXAUSA-N 1 0 270.380 2.387 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccncc1)N(CC)C[C@@H]1CCCO1 ZINC000043354171 175021691 /nfs/dbraw/zinc/02/16/91/175021691.db2.gz AMEGNUVCBJWMAO-JYJNAYRXSA-N 1 0 277.412 2.361 10 0 CEAERO [NH3+]C[C@@H](Oc1ccc(F)cc1F)c1ccncc1 ZINC000043355122 175023200 /nfs/dbraw/zinc/02/32/00/175023200.db2.gz HOOMGVBROHQAPX-CYBMUJFWSA-N 1 0 250.248 2.439 10 0 CEAERO [NH3+]C[C@H](c1ccncc1)n1ccnc1-c1ccccc1 ZINC000043354990 175023247 /nfs/dbraw/zinc/02/32/47/175023247.db2.gz MSAMIJSFMLLUTE-OAHLLOKOSA-N 1 0 264.332 2.493 10 0 CEAERO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H]1CCNC1=O ZINC000658054605 415178619 /nfs/dbraw/zinc/17/86/19/415178619.db2.gz PTAQXOAHNNVUCH-WCBMZHEXSA-N 1 0 281.425 2.288 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)N1CCC(CO)CC1 ZINC000043364002 175024530 /nfs/dbraw/zinc/02/45/30/175024530.db2.gz OVSGGGHRCOUOKI-ZFWWWQNUSA-N 1 0 266.385 2.071 10 0 CEAERO Cc1ccc([C@H]([C@H](C)[NH3+])N(C)C[C@@H]2CCCCO2)o1 ZINC000043364771 175025656 /nfs/dbraw/zinc/02/56/56/175025656.db2.gz KQUSRMTULMPPEA-YDHLFZDLSA-N 1 0 266.385 2.477 10 0 CEAERO Cc1ccc([C@@H]([C@H](C)[NH3+])N(C)C[C@@H]2CCCCO2)o1 ZINC000043364770 175025819 /nfs/dbraw/zinc/02/58/19/175025819.db2.gz KQUSRMTULMPPEA-KCQAQPDRSA-N 1 0 266.385 2.477 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)N(C)Cc1cnn(C)c1 ZINC000043364817 175025974 /nfs/dbraw/zinc/02/59/74/175025974.db2.gz YKVPRGZIDZXGTF-HIFRSBDPSA-N 1 0 276.384 2.232 10 0 CEAERO Cc1ccc([C@@H]([C@H](C)[NH3+])n2nnc(-c3ccccc3)n2)o1 ZINC000043365504 175027218 /nfs/dbraw/zinc/02/72/18/175027218.db2.gz LLDNOHOIEOQGNY-SMDDNHRTSA-N 1 0 283.335 2.178 10 0 CEAERO Cc1ccc([C@H]([C@H](C)[NH3+])n2nnc(-c3ccccc3)n2)o1 ZINC000043365505 175027365 /nfs/dbraw/zinc/02/73/65/175027365.db2.gz LLDNOHOIEOQGNY-FZMZJTMJSA-N 1 0 283.335 2.178 10 0 CEAERO CC[C@H]([NH3+])[C@@H](SCC(=O)OC)c1ccc(C)o1 ZINC000043367617 175027486 /nfs/dbraw/zinc/02/74/86/175027486.db2.gz ZNKPUBTUAFEMPK-JOYOIKCWSA-N 1 0 257.355 2.273 10 0 CEAERO C[C@@H]([NH3+])[C@@H](N1CCC[C@@H]1c1ccncc1)C(F)(F)F ZINC000043377560 175030291 /nfs/dbraw/zinc/03/02/91/175030291.db2.gz WPCRJFHDLDUXFW-YUSALJHKSA-N 1 0 273.302 2.497 10 0 CEAERO CC[C@@H]([NH3+])[C@H](OCCc1ccccn1)C(F)(F)F ZINC000043384879 175031768 /nfs/dbraw/zinc/03/17/68/175031768.db2.gz CVLFGJCFXCUQFB-MNOVXSKESA-N 1 0 262.275 2.309 10 0 CEAERO Cc1cc(C)cc([C@H](C[NH3+])N2CCOC(C)(C)C2)c1 ZINC000043394185 175034821 /nfs/dbraw/zinc/03/48/21/175034821.db2.gz RSHHECKYMUPWOJ-HNNXBMFYSA-N 1 0 262.397 2.414 10 0 CEAERO CCC[NH2+][C@@H]1CCOC[C@@H]1N1C[C@H](C)C[C@H](C)C1 ZINC000043805173 175107780 /nfs/dbraw/zinc/10/77/80/175107780.db2.gz IVQQYHTWDAOCSL-BARDWOONSA-N 1 0 254.418 2.121 10 0 CEAERO C[NH2+][C@@H](CN1CCOCC1)c1ccc(CC(C)C)cc1 ZINC000043808035 175108948 /nfs/dbraw/zinc/10/89/48/175108948.db2.gz BGHKFHLPNWHVJU-KRWDZBQOSA-N 1 0 276.424 2.478 10 0 CEAERO C[NH2+][C@H](c1ccccc1)[C@@H](C(C)C)N1CCOCC1 ZINC000043808018 175109062 /nfs/dbraw/zinc/10/90/62/175109062.db2.gz XJLXDMOUMXOJJJ-HZPDHXFCSA-N 1 0 262.397 2.304 10 0 CEAERO CC[NH2+][C@H](CN1CCN(C)CC1)c1cc2ccccc2o1 ZINC000043810851 175110543 /nfs/dbraw/zinc/11/05/43/175110543.db2.gz HHPJOUHMRSURNW-OAHLLOKOSA-N 1 0 287.407 2.331 10 0 CEAERO CCC[NH2+][C@@H]1CCC2(C[C@@H]1N1CCCCC1)OCCO2 ZINC000043814523 175111608 /nfs/dbraw/zinc/11/16/08/175111608.db2.gz JHVWEHJUYPKKDC-CABCVRRESA-N 1 0 282.428 2.136 10 0 CEAERO CCN(C[C@@H]([NH2+]C)c1ccc2c(c1)OCO2)C1CC1 ZINC000043821361 175114576 /nfs/dbraw/zinc/11/45/76/175114576.db2.gz DOXVHOKCXKJYFP-CYBMUJFWSA-N 1 0 262.353 2.160 10 0 CEAERO C[NH2+][C@H](CN1CCC(OC)CC1)c1ccc(C)cc1 ZINC000043889883 175117815 /nfs/dbraw/zinc/11/78/15/175117815.db2.gz HZXQDEDWUBPNRX-MRXNPFEDSA-N 1 0 262.397 2.366 10 0 CEAERO CC[C@@H]([C@@H]([NH2+]C)c1ccccc1)N1CCOC[C@@H]1C ZINC000043891241 175118079 /nfs/dbraw/zinc/11/80/79/175118079.db2.gz QJEXSBSTSQLROR-BPUTZDHNSA-N 1 0 262.397 2.446 10 0 CEAERO CCC[NH2+][C@H](CN1CCOC[C@@H]1C)c1ccccc1OC ZINC000043891766 175118628 /nfs/dbraw/zinc/11/86/28/175118628.db2.gz FXHFYVHABBWXCB-GOEBONIOSA-N 1 0 292.423 2.457 10 0 CEAERO CC[C@@H]1CC[C@H]([NH2+]C)[C@H](N2CCOC(C)(C)C2)C1 ZINC000043897634 175120278 /nfs/dbraw/zinc/12/02/78/175120278.db2.gz VAVSFMJDIIVENQ-HZSPNIEDSA-N 1 0 254.418 2.264 10 0 CEAERO C[NH2+][C@@H](CN1CCOC(C)(C)C1)c1ccc(OC)cc1 ZINC000043897651 175120719 /nfs/dbraw/zinc/12/07/19/175120719.db2.gz XPCJTKMULJVSGM-HNNXBMFYSA-N 1 0 278.396 2.067 10 0 CEAERO CC[NH2+][C@H]1CCCCC[C@H]1N(C)C1CCOCC1 ZINC000043898367 175121204 /nfs/dbraw/zinc/12/12/04/175121204.db2.gz UUXPHPIWQUKBNT-LSDHHAIUSA-N 1 0 254.418 2.408 10 0 CEAERO CC[NH2+][C@H]1CCOC[C@H]1N(CC(C)C)CC(C)C ZINC000043909699 175123373 /nfs/dbraw/zinc/12/33/73/175123373.db2.gz GLFRQJDZANJZLA-LSDHHAIUSA-N 1 0 256.434 2.367 10 0 CEAERO CCC[NH2+][C@@H]1CCOC[C@@H]1N(C)Cc1ccc(OC)cc1 ZINC000043911719 175123815 /nfs/dbraw/zinc/12/38/15/175123815.db2.gz ZKCKNOPUUBZGCB-SJORKVTESA-N 1 0 292.423 2.284 10 0 CEAERO C[NH2+][C@H](CN(C)CCOC)c1cc2ccccc2o1 ZINC000043915585 175125107 /nfs/dbraw/zinc/12/51/07/175125107.db2.gz OCOLEGXRXWKZIO-CYBMUJFWSA-N 1 0 262.353 2.272 10 0 CEAERO CC[NH2+][C@@H](CN(C)C[C@@H]1CCCO1)c1cccc(OC)c1 ZINC000043966105 175126942 /nfs/dbraw/zinc/12/69/42/175126942.db2.gz RXFLRONSMKXFCK-IRXDYDNUSA-N 1 0 292.423 2.457 10 0 CEAERO CCOc1ccccc1[C@@H](CN(C)C[C@@H]1CCCO1)[NH2+]C ZINC000043965897 175127124 /nfs/dbraw/zinc/12/71/24/175127124.db2.gz WIQPIFCWUOPCJG-GOEBONIOSA-N 1 0 292.423 2.457 10 0 CEAERO CCN(CCOC)C[C@H]([NH2+]C)c1cc(C)ccc1OC ZINC000043968547 175130002 /nfs/dbraw/zinc/13/00/02/175130002.db2.gz LIGNUFDTUCEEIM-HNNXBMFYSA-N 1 0 280.412 2.232 10 0 CEAERO C[NH2+][C@@H](CN(CCOC)C1CC1)c1ccccc1C ZINC000043969715 175131536 /nfs/dbraw/zinc/13/15/36/175131536.db2.gz QGMJRNGYEPOZDU-INIZCTEOSA-N 1 0 262.397 2.366 10 0 CEAERO CCC[NH2+][C@@H]1CCCC[C@@H]1N(CCCOC)CCOC ZINC000043971096 175131882 /nfs/dbraw/zinc/13/18/82/175131882.db2.gz TXAWJHPGWJBNPZ-CVEARBPZSA-N 1 0 286.460 2.282 10 0 CEAERO C[NH2+][C@@H](c1ccccc1)[C@@H](C)N(CCCOC)CCOC ZINC000043970845 175132227 /nfs/dbraw/zinc/13/22/27/175132227.db2.gz OUOZMMYDXKSHIH-NVXWUHKLSA-N 1 0 294.439 2.321 10 0 CEAERO COc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC000044117437 175142220 /nfs/dbraw/zinc/14/22/20/175142220.db2.gz ZMESKRSRZGBIDU-DOMZBBRYSA-N 1 0 279.380 2.469 10 0 CEAERO CCOc1ccccc1[C@H](O)C[N@H+](C)C1CCN(C)CC1 ZINC000044121436 175142772 /nfs/dbraw/zinc/14/27/72/175142772.db2.gz XQAXNKMPPSLIHL-MRXNPFEDSA-N 1 0 292.423 2.145 10 0 CEAERO COc1ccc(F)cc1CN1CCC[C@H](C[NH3+])C1 ZINC000044529534 175194548 /nfs/dbraw/zinc/19/45/48/175194548.db2.gz KOQHDCIJGWWROZ-LLVKDONJSA-N 1 0 252.333 2.005 10 0 CEAERO CC(C)NC(=O)[C@H](C)Oc1ccc2c(c1)CCC[C@H]2[NH3+] ZINC000044744922 175241479 /nfs/dbraw/zinc/24/14/79/175241479.db2.gz COYYORKKGONDQG-XHDPSFHLSA-N 1 0 276.380 2.315 10 0 CEAERO CC(C)(C)NC(=O)COc1ccc2c(c1)CCC[C@@H]2[NH3+] ZINC000044745007 175241490 /nfs/dbraw/zinc/24/14/90/175241490.db2.gz UDRHOQGSPBYGRK-AWEZNQCLSA-N 1 0 276.380 2.316 10 0 CEAERO O=C1NCCCC[C@H]1[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000044747167 175242658 /nfs/dbraw/zinc/24/26/58/175242658.db2.gz MESIJWZDDZIFKR-HUUCEWRRSA-N 1 0 274.364 2.028 10 0 CEAERO COC(=O)CCC[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000044747310 175242980 /nfs/dbraw/zinc/24/29/80/175242980.db2.gz CEMRWOKIROSMOR-CQSZACIVSA-N 1 0 263.337 2.312 10 0 CEAERO Oc1ccc2c(c1)CCC[C@@H]2[NH2+]CCn1cccn1 ZINC000044747505 175243276 /nfs/dbraw/zinc/24/32/76/175243276.db2.gz TXIHBCCIYPJSLB-HNNXBMFYSA-N 1 0 257.337 2.256 10 0 CEAERO CC[NH+](CC)CCCNC(=O)c1ccc(N)cc1C ZINC000044748080 175243419 /nfs/dbraw/zinc/24/34/19/175243419.db2.gz BHXPBPDCBRTFOL-UHFFFAOYSA-N 1 0 263.385 2.039 10 0 CEAERO Cc1cc(N)ccc1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000044748848 175243881 /nfs/dbraw/zinc/24/38/81/175243881.db2.gz QGYUKFBUIHYZDY-HNNXBMFYSA-N 1 0 287.407 2.278 10 0 CEAERO C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)C1(C[NH3+])CCCC1 ZINC000044753501 175245826 /nfs/dbraw/zinc/24/58/26/175245826.db2.gz SLIYIKPDYYSAHY-XQQFMLRXSA-N 1 0 252.402 2.446 10 0 CEAERO [NH3+]CC1(C(=O)Nc2ccc3c(c2)OCCO3)CCCCC1 ZINC000044762239 175246269 /nfs/dbraw/zinc/24/62/69/175246269.db2.gz LSDGRTUAESFTCH-UHFFFAOYSA-N 1 0 290.363 2.306 10 0 CEAERO CCC(CC)(C[NH3+])C(=O)Nc1ccccc1OC ZINC000044762027 175246335 /nfs/dbraw/zinc/24/63/35/175246335.db2.gz XJPBWTKMUURGPM-UHFFFAOYSA-N 1 0 250.342 2.399 10 0 CEAERO COc1cccc(CNC(=O)C2(C[NH3+])CCCCC2)c1 ZINC000044763144 175246976 /nfs/dbraw/zinc/24/69/76/175246976.db2.gz CXRSOVVUNYHMKO-UHFFFAOYSA-N 1 0 276.380 2.221 10 0 CEAERO CC(C)CCC[C@@H](C)NC(=O)C1(C[NH3+])CCOCC1 ZINC000044763633 175247560 /nfs/dbraw/zinc/24/75/60/175247560.db2.gz CEVDYEXMUFKQGY-CYBMUJFWSA-N 1 0 270.417 2.073 10 0 CEAERO [NH3+]CC1(C(=O)N(CCO)C2CCCCC2)CCCCCC1 ZINC000044764089 175248240 /nfs/dbraw/zinc/24/82/40/175248240.db2.gz TXJBGFFNZVFIKD-UHFFFAOYSA-N 1 0 296.455 2.439 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)NCCCN(C)c1ccccc1 ZINC000044798185 175255157 /nfs/dbraw/zinc/25/51/57/175255157.db2.gz QRAXAXOSQQRNDW-AWEZNQCLSA-N 1 0 277.412 2.004 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000044798779 175255202 /nfs/dbraw/zinc/25/52/02/175255202.db2.gz HQOCAUFBNQVPPJ-MRVPVSSYSA-N 1 0 286.278 2.322 10 0 CEAERO CC[C@H](C[NH3+])C(=O)Nc1ccc(OC(F)F)cc1 ZINC000044800121 175255845 /nfs/dbraw/zinc/25/58/45/175255845.db2.gz XQMVIWFMWYTUHN-MRVPVSSYSA-N 1 0 258.268 2.211 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)Nc1ccccc1COC ZINC000044806259 175256672 /nfs/dbraw/zinc/25/66/72/175256672.db2.gz RLAQAZOMEATFDO-NSHDSACASA-N 1 0 250.342 2.147 10 0 CEAERO C[C@@H](CNc1cc(Cl)ncn1)[NH+]1CCCCC1 ZINC000045014494 175290908 /nfs/dbraw/zinc/29/09/08/175290908.db2.gz MIIOLWQYFVCVRU-JTQLQIEISA-N 1 0 254.765 2.416 10 0 CEAERO C[C@H](CNc1cncc(Cl)n1)[NH+]1CCCCC1 ZINC000045014501 175290927 /nfs/dbraw/zinc/29/09/27/175290927.db2.gz VOACPYNCBJUDKY-SNVBAGLBSA-N 1 0 254.765 2.416 10 0 CEAERO CC1(C)CC[C@@H]([NH2+]CCCS(N)(=O)=O)c2ccccc21 ZINC000045064889 175299775 /nfs/dbraw/zinc/29/97/75/175299775.db2.gz LRFPMRWZGDRRFN-CQSZACIVSA-N 1 0 296.436 2.067 10 0 CEAERO CCC(CC)NC(=O)[C@@H](C)[NH2+]CCOCCC(C)C ZINC000045106863 175308337 /nfs/dbraw/zinc/30/83/37/175308337.db2.gz RFCCJWRDCFDEPS-CYBMUJFWSA-N 1 0 272.433 2.332 10 0 CEAERO C[C@H](CNc1c(C(N)=S)cnc2ccccc21)[NH+](C)C ZINC000045109783 175309387 /nfs/dbraw/zinc/30/93/87/175309387.db2.gz NXAVIDJXOXGKCZ-SNVBAGLBSA-N 1 0 288.420 2.231 10 0 CEAERO Cc1ccc(NC(=O)CNC[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000045135169 175312395 /nfs/dbraw/zinc/31/23/95/175312395.db2.gz JRPDUNFVFWXBPA-OAHLLOKOSA-N 1 0 289.423 2.253 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]CCN2CCCC2)c1C ZINC000045168259 175319410 /nfs/dbraw/zinc/31/94/10/175319410.db2.gz JXXZWRUODQOZOB-LBPRGKRZSA-N 1 0 264.417 2.266 10 0 CEAERO Cc1nn(C)c(C)c1[C@H](C)[NH2+]C1CCN(C2CC2)CC1 ZINC000045171154 175321077 /nfs/dbraw/zinc/32/10/77/175321077.db2.gz YGQBDPMMPXGPJG-NSHDSACASA-N 1 0 276.428 2.314 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@H](C)N(C)C)c1C ZINC000045172010 175321686 /nfs/dbraw/zinc/32/16/86/175321686.db2.gz CYBFPEIHKDCHIC-QWRGUYRKSA-N 1 0 252.406 2.121 10 0 CEAERO Cc1nn(C)c(C)c1[C@H](C)N[C@H](C)CC[NH+](C)C ZINC000045172573 175321943 /nfs/dbraw/zinc/32/19/43/175321943.db2.gz MAEXBJMECXHDKF-MNOVXSKESA-N 1 0 252.406 2.028 10 0 CEAERO CCCC[N@H+](CC)C[C@@](C)(NC(C)C)C(=O)OCC ZINC000045223317 175331274 /nfs/dbraw/zinc/33/12/74/175331274.db2.gz SMOSCLKGJNCBGA-OAHLLOKOSA-N 1 0 272.433 2.428 10 0 CEAERO CCCC[N@H+](CC)CC[C@@](C)(NC1CC1)C(=O)OC ZINC000045223433 175331391 /nfs/dbraw/zinc/33/13/91/175331391.db2.gz UUDJHRYXFLUAHL-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CCCC[N@H+](CC)CC[C@@](C)(NC(C)C)C(=O)OC ZINC000045223419 175331598 /nfs/dbraw/zinc/33/15/98/175331598.db2.gz LFUMXIMTAOYYCD-OAHLLOKOSA-N 1 0 272.433 2.428 10 0 CEAERO COC(=O)[C@](C)(CC[N@H+]1C[C@H](C)C[C@H](C)C1)NC1CC1 ZINC000045224733 175332556 /nfs/dbraw/zinc/33/25/56/175332556.db2.gz FJUJTANHCBYQPL-ZENOOKHLSA-N 1 0 282.428 2.038 10 0 CEAERO CCCN[C@@](C)(CC[NH+](CC)CC)C(=O)OCC ZINC000045226782 175333228 /nfs/dbraw/zinc/33/32/28/175333228.db2.gz XLXAMJJNORXXOD-AWEZNQCLSA-N 1 0 258.406 2.040 10 0 CEAERO CCOC(=O)[C@](N)(C[NH+]1CCCCCC1)c1ccccc1 ZINC000045228669 175334357 /nfs/dbraw/zinc/33/43/57/175334357.db2.gz NFXRAOZIWKWNRS-KRWDZBQOSA-N 1 0 290.407 2.280 10 0 CEAERO CCC[N@H+](C[C@@](N)(C(=O)OC)c1ccccc1)C(C)C ZINC000045266682 175339206 /nfs/dbraw/zinc/33/92/06/175339206.db2.gz GGAFQFAHJVZDSH-INIZCTEOSA-N 1 0 278.396 2.134 10 0 CEAERO CCOC(=O)[C@@](C[N@H+](CC)C1CC1)(NC)c1ccccc1 ZINC000045267070 175339803 /nfs/dbraw/zinc/33/98/03/175339803.db2.gz NJDXBYQRYKXZAS-KRWDZBQOSA-N 1 0 290.407 2.149 10 0 CEAERO CCC[N@H+](C[C@](N)(C(=O)OCC)c1ccccc1)C1CC1 ZINC000045267779 175339914 /nfs/dbraw/zinc/33/99/14/175339914.db2.gz QVHUIJIJYUXWEX-QGZVFWFLSA-N 1 0 290.407 2.278 10 0 CEAERO CCC(CC)[N@H+](C)C[C@@](NC)(C(=O)OC)c1ccccc1 ZINC000045269585 175341187 /nfs/dbraw/zinc/34/11/87/175341187.db2.gz SYVSENPQZDMHLE-KRWDZBQOSA-N 1 0 292.423 2.395 10 0 CEAERO CCC(CC)[N@H+](C)CC[C@@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000045269699 175341735 /nfs/dbraw/zinc/34/17/35/175341735.db2.gz DFYGOQAASSCWJH-CQSZACIVSA-N 1 0 256.390 2.092 10 0 CEAERO CCC[NH2+][C@](C)(CN(CC)c1cccc(C)c1)C(N)=O ZINC000045273185 175344040 /nfs/dbraw/zinc/34/40/40/175344040.db2.gz PKFKQAAHUJPXJC-MRXNPFEDSA-N 1 0 277.412 2.065 10 0 CEAERO CCN[C@](C[N@H+](C)CC1CC1)(C(=O)OC)c1ccccc1 ZINC000045272919 175344116 /nfs/dbraw/zinc/34/41/16/175344116.db2.gz ZMIKSIZSRYABCB-KRWDZBQOSA-N 1 0 290.407 2.006 10 0 CEAERO CCC(CC)C[N@H+](CC)C[C@](C)(NC1CC1)C(=O)OC ZINC000045277806 175347138 /nfs/dbraw/zinc/34/71/38/175347138.db2.gz FVBOAFORZFUOIB-INIZCTEOSA-N 1 0 284.444 2.428 10 0 CEAERO CCOC(=O)[C@@](C)(CC[N@H+](C)C1CCC(C)CC1)NC ZINC000045280601 175350128 /nfs/dbraw/zinc/35/01/28/175350128.db2.gz FGAHSEJKXOKGRM-ZBCRRDGASA-N 1 0 284.444 2.428 10 0 CEAERO CCOC(=O)[C@](C)(CC[N@H+](CC(C)C)C(C)C)NC ZINC000045280758 175350811 /nfs/dbraw/zinc/35/08/11/175350811.db2.gz SDHOFKWBKRTXLL-HNNXBMFYSA-N 1 0 272.433 2.284 10 0 CEAERO CC[NH2+][C@@](C)(CC[N@H+](CC(C)C)C(C)C)C(=O)[O-] ZINC000045280731 175351343 /nfs/dbraw/zinc/35/13/43/175351343.db2.gz AOKQPYBNDXTDKG-AWEZNQCLSA-N 1 0 258.406 2.196 10 0 CEAERO CCCC[N@H+](CC[C@@](C)([NH2+]C)C(=O)[O-])[C@@H](C)CC ZINC000045282594 175352396 /nfs/dbraw/zinc/35/23/96/175352396.db2.gz IVCIBOFFDXRJSH-GXTWGEPZSA-N 1 0 258.406 2.340 10 0 CEAERO CC[NH2+][C@@](C)(CC[N@H+](C)CC1CCCCC1)C(=O)[O-] ZINC000045281607 175352803 /nfs/dbraw/zinc/35/28/03/175352803.db2.gz ZYZBRRBGRBCJJX-HNNXBMFYSA-N 1 0 270.417 2.341 10 0 CEAERO CCCN[C@@](C)(CC[N@H+](C)CC1CCCCC1)C(N)=O ZINC000045281672 175352815 /nfs/dbraw/zinc/35/28/15/175352815.db2.gz RIJCPPMSUWJFQP-INIZCTEOSA-N 1 0 283.460 2.132 10 0 CEAERO CCOC(=O)[C@](C)(N)CC[N@H+](C)CC1CCCCC1 ZINC000045281629 175353075 /nfs/dbraw/zinc/35/30/75/175353075.db2.gz AOKJBQUVIFUIHD-OAHLLOKOSA-N 1 0 270.417 2.169 10 0 CEAERO CCOC(=O)[C@](C)([NH3+])CCCN1c2ccccc2C[C@@H]1C ZINC000045369053 175363682 /nfs/dbraw/zinc/36/36/82/175363682.db2.gz IORMGXYAAOKRCO-SUMWQHHRSA-N 1 0 290.407 2.498 10 0 CEAERO CCCC[N@H+](C)CCC[C@@](C)(NC(C)C)C(=O)OC ZINC000045368401 175363970 /nfs/dbraw/zinc/36/39/70/175363970.db2.gz SFAAZFGKKVAQQP-OAHLLOKOSA-N 1 0 272.433 2.428 10 0 CEAERO CCN[C@](C)(CCC[N@H+]1C[C@H](C)C[C@H](C)C1)C(=O)OC ZINC000045373567 175365050 /nfs/dbraw/zinc/36/50/50/175365050.db2.gz BIWITBMUYNDGOX-IJEWVQPXSA-N 1 0 284.444 2.286 10 0 CEAERO CCC[NH+](CCC)CCCC[C@](C)([NH2+]C)C(=O)[O-] ZINC000045378482 175367390 /nfs/dbraw/zinc/36/73/90/175367390.db2.gz ALWAOPJTXSUQLD-AWEZNQCLSA-N 1 0 258.406 2.341 10 0 CEAERO CC(C)[NH2+][C@@](C)(CCCC[N@H+](C)C(C)C)C(=O)[O-] ZINC000045377941 175367494 /nfs/dbraw/zinc/36/74/94/175367494.db2.gz OOKNUPFDMCZFBW-AWEZNQCLSA-N 1 0 258.406 2.338 10 0 CEAERO CCCN[C@@](C)(CCC[NH+]1CCCCC1)C(=O)OC ZINC000045378348 175367769 /nfs/dbraw/zinc/36/77/69/175367769.db2.gz NXSXRLPVODQNDL-HNNXBMFYSA-N 1 0 270.417 2.184 10 0 CEAERO CCOC(=O)[C@@](C)(CCC[N@H+](C)C(C)C)NC(C)C ZINC000045378091 175367841 /nfs/dbraw/zinc/36/78/41/175367841.db2.gz LGPXAUKBZFLYDJ-OAHLLOKOSA-N 1 0 272.433 2.427 10 0 CEAERO COC(=O)[C@@](C)(CCC[N@H+](C)CC(C)C)NC1CC1 ZINC000045381053 175369804 /nfs/dbraw/zinc/36/98/04/175369804.db2.gz OLMWELUACHKPJK-OAHLLOKOSA-N 1 0 270.417 2.038 10 0 CEAERO CC[N@H+](C)CCCC[C@](C)(NC(C)C)C(=O)OC ZINC000045382741 175370672 /nfs/dbraw/zinc/37/06/72/175370672.db2.gz YAQOYBNPCRUQRU-AWEZNQCLSA-N 1 0 258.406 2.038 10 0 CEAERO CCOC(=O)[C@@](C)(CCC[N@H+](C)C1CC1)NC(C)C ZINC000045383396 175370801 /nfs/dbraw/zinc/37/08/01/175370801.db2.gz IATUUTVMVADTEI-OAHLLOKOSA-N 1 0 270.417 2.181 10 0 CEAERO CCC[N@H+](CCC[C@](C)(NC)C(=O)OC)C(C)C ZINC000045385984 175371975 /nfs/dbraw/zinc/37/19/75/175371975.db2.gz CDTOCMNXAGGEAU-AWEZNQCLSA-N 1 0 258.406 2.038 10 0 CEAERO CC[N@H+](CCC[C@@](C)([NH2+]C(C)C)C(=O)[O-])C1CC1 ZINC000045386486 175373327 /nfs/dbraw/zinc/37/33/27/175373327.db2.gz JCLQEFYMCMDNIU-CQSZACIVSA-N 1 0 256.390 2.092 10 0 CEAERO CC(C)C[NH+](CCC[C@](C)([NH3+])C(=O)[O-])CC(C)C ZINC000045420337 175378857 /nfs/dbraw/zinc/37/88/57/175378857.db2.gz RJJXQAFOEBPUMV-AWEZNQCLSA-N 1 0 258.406 2.183 10 0 CEAERO CCc1c(C)nc(C(C)C)nc1N1CCC[NH2+]CC1 ZINC000045951086 175388360 /nfs/dbraw/zinc/38/83/60/175388360.db2.gz LAOCGDIIRQJDGG-UHFFFAOYSA-N 1 0 262.401 2.271 10 0 CEAERO Cc1ccc(-c2nc(C)cc(N3CC[C@H]([NH3+])C3)n2)cc1 ZINC000045954472 175389135 /nfs/dbraw/zinc/38/91/35/175389135.db2.gz FOIHTRFQRFFQNZ-AWEZNQCLSA-N 1 0 268.364 2.298 10 0 CEAERO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)C1CCCCCC1 ZINC000658241630 415273973 /nfs/dbraw/zinc/27/39/73/415273973.db2.gz YNIILWFPZNFPAU-CHWSQXEVSA-N 1 0 252.402 2.413 10 0 CEAERO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1ccc(F)c(F)c1 ZINC000658246325 415280871 /nfs/dbraw/zinc/28/08/71/415280871.db2.gz YKEQHGYEEQIBIN-NXEZZACHSA-N 1 0 268.307 2.094 10 0 CEAERO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC(=O)N(C)C2)s1 ZINC000658246077 415281074 /nfs/dbraw/zinc/28/10/74/415281074.db2.gz XABPHUDYFCDGCE-WDEREUQCSA-N 1 0 252.383 2.185 10 0 CEAERO CC[C@@H](NC(=O)C[C@H]1CCC[NH2+]1)c1cccs1 ZINC000049532070 175486352 /nfs/dbraw/zinc/48/63/52/175486352.db2.gz UIXQHQFXBRQHHN-GHMZBOCLSA-N 1 0 252.383 2.458 10 0 CEAERO CC[NH2+]C[C@@H]1CC[C@H](Cn2nc(C)c(Cl)c2C)O1 ZINC000052573959 175535870 /nfs/dbraw/zinc/53/58/70/175535870.db2.gz QLENDRQGGNQNMM-NWDGAFQWSA-N 1 0 271.792 2.310 10 0 CEAERO CC(C)C[NH2+]C[C@H](C)Oc1ccc2c(c1)OCO2 ZINC000052648887 175536924 /nfs/dbraw/zinc/53/69/24/175536924.db2.gz CPWBFQUXRPGFCF-NSHDSACASA-N 1 0 251.326 2.428 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1ccc(Br)cn1 ZINC000054305829 175557055 /nfs/dbraw/zinc/55/70/55/175557055.db2.gz JPGBEPIIFHOJPT-VIFPVBQESA-N 1 0 298.184 2.172 10 0 CEAERO [NH3+]Cc1ccc(C(=O)NCCc2cc(F)cc(F)c2)cc1 ZINC000060717436 175640455 /nfs/dbraw/zinc/64/04/55/175640455.db2.gz UOZIVXXTMGFVDS-UHFFFAOYSA-N 1 0 290.313 2.396 10 0 CEAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C3CCC4(CC4)CC3)C[C@H]12 ZINC000659305277 415503443 /nfs/dbraw/zinc/50/34/43/415503443.db2.gz GSEVOIFTWJRUTB-MELADBBJSA-N 1 0 262.397 2.153 10 0 CEAERO COCc1csc(C(=O)N(C)[C@H]2CCC[NH2+]CC2)c1 ZINC000659302936 415501421 /nfs/dbraw/zinc/50/14/21/415501421.db2.gz CYOXJHNPEGEMDQ-LBPRGKRZSA-N 1 0 282.409 2.109 10 0 CEAERO C[C@H]1CC(CNC(=O)[C@H]2CCC[NH2+]C2)C[C@H](C)C1 ZINC000659342898 415531817 /nfs/dbraw/zinc/53/18/17/415531817.db2.gz LOJHFHGBINBIBQ-BZPMIXESSA-N 1 0 252.402 2.175 10 0 CEAERO C[C@H]1C[C@@](C[NH3+])(N(C)c2cccc(F)c2)CCO1 ZINC000070365691 175894775 /nfs/dbraw/zinc/89/47/75/175894775.db2.gz IESJYVLIIAXTCG-FZMZJTMJSA-N 1 0 252.333 2.158 10 0 CEAERO CCC[C@@H]1C[C@](CN)([N@H+](C)C[C@@H]2C[C@@H]2C)CCO1 ZINC000070366707 175896570 /nfs/dbraw/zinc/89/65/70/175896570.db2.gz UQTOZQPNAZXMHK-BYNSBNAKSA-N 1 0 254.418 2.251 10 0 CEAERO CC(C)[C@H]1C[C@](CO)([NH2+]Cc2ccccc2)CCO1 ZINC000070371783 175899069 /nfs/dbraw/zinc/89/90/69/175899069.db2.gz MCVUODVJSAVHFL-HZPDHXFCSA-N 1 0 263.381 2.342 10 0 CEAERO CCCCOCC[NH2+]CCN1C[C@@H](C)S[C@H](C)C1 ZINC000070386780 175904907 /nfs/dbraw/zinc/90/49/07/175904907.db2.gz UWTRBPBIXRAOCY-ZIAGYGMSSA-N 1 0 274.474 2.219 10 0 CEAERO CCCN(C(=O)[C@H]1COc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000070391987 175906752 /nfs/dbraw/zinc/90/67/52/175906752.db2.gz WPJYLGQLFKPELJ-ZFWWWQNUSA-N 1 0 288.391 2.153 10 0 CEAERO CCCc1nccn1-c1c(C[C@H]([NH3+])CC)c(C)nn1C ZINC000070426106 175922495 /nfs/dbraw/zinc/92/24/95/175922495.db2.gz RVZQZEDJJPVGLI-GFCCVEGCSA-N 1 0 275.400 2.147 10 0 CEAERO Cc1cccc(-c2cc(N3CCC[C@H]([NH3+])C3)n[nH]2)c1 ZINC000070460153 175942618 /nfs/dbraw/zinc/94/26/18/175942618.db2.gz UNCILQZXFSHBMJ-ZDUSSCGKSA-N 1 0 256.353 2.313 10 0 CEAERO NC[C@]1([NH+](CC2CC2)CC2CC2)CCCSC1 ZINC000070504645 175958768 /nfs/dbraw/zinc/95/87/68/175958768.db2.gz FYSVSZPDVOVYET-CQSZACIVSA-N 1 0 254.443 2.333 10 0 CEAERO CC(C)[NH2+][C@@H](CO)CN1CCC(Cc2ccccc2)CC1 ZINC000070513184 175961595 /nfs/dbraw/zinc/96/15/95/175961595.db2.gz DUXAVZCKVAVNEA-GOSISDBHSA-N 1 0 290.451 2.300 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)CCCCOC[C@H]1CCCCO1 ZINC000070517681 175966087 /nfs/dbraw/zinc/96/60/87/175966087.db2.gz FVMQMXCKSBKSJI-CVEARBPZSA-N 1 0 287.444 2.491 10 0 CEAERO CC(C)[NH2+][C@@](CO)(COc1ccc(F)c(F)c1)C1CC1 ZINC000070519573 175966596 /nfs/dbraw/zinc/96/65/96/175966596.db2.gz AGFXCCFRKFYMCO-HNNXBMFYSA-N 1 0 285.334 2.483 10 0 CEAERO COc1ccc2cc([C@]3(C)C[C@@]3(C[NH3+])CO)ccc2c1 ZINC000070553663 175982426 /nfs/dbraw/zinc/98/24/26/175982426.db2.gz PVNUYBVCBGDEHJ-DLBZAZTESA-N 1 0 271.360 2.447 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H](c2nc(Cc3ccccn3)no2)C1 ZINC000070557267 175985110 /nfs/dbraw/zinc/98/51/10/175985110.db2.gz LYAYUQDXWVMWDE-GHMZBOCLSA-N 1 0 258.325 2.040 10 0 CEAERO CCOc1ccc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1CO ZINC000070576810 175991994 /nfs/dbraw/zinc/99/19/94/175991994.db2.gz ADWZUQNGNFQFPQ-WCQYABFASA-N 1 0 292.379 2.034 10 0 CEAERO Cn1ccnc1COc1ccc(C[NH3+])cc1Br ZINC000070579847 175994550 /nfs/dbraw/zinc/99/45/50/175994550.db2.gz UHVVXUVGWSEPAH-UHFFFAOYSA-N 1 0 296.168 2.220 10 0 CEAERO [NH3+]C[C@H]1CCO[C@H]1c1cccc(Br)c1 ZINC000070674053 176000694 /nfs/dbraw/zinc/00/06/94/176000694.db2.gz ZNOXAMMANSEHGY-KOLCDFICSA-N 1 0 256.143 2.485 10 0 CEAERO [NH3+][C@H]1CCC(=O)N[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000070824607 176008072 /nfs/dbraw/zinc/00/80/72/176008072.db2.gz JTMMOFRMUFNJSL-GXSJLCMTSA-N 1 0 259.136 2.272 10 0 CEAERO COc1cc(OC)cc(C(=O)N(CC[NH3+])C2CCCC2)c1 ZINC000070943581 176016288 /nfs/dbraw/zinc/01/62/88/176016288.db2.gz JMQAARYCKYZHQS-UHFFFAOYSA-N 1 0 292.379 2.047 10 0 CEAERO [NH3+]CCN(C(=O)c1ccc(F)cc1)C1CCCC1 ZINC000070943690 176016376 /nfs/dbraw/zinc/01/63/76/176016376.db2.gz PIJPLPWRHSGWHB-UHFFFAOYSA-N 1 0 250.317 2.169 10 0 CEAERO COc1ccc(C)cc1C(=O)N(CC[NH3+])C1CCCC1 ZINC000070943522 176016512 /nfs/dbraw/zinc/01/65/12/176016512.db2.gz MMDLQXHMMAJPJR-UHFFFAOYSA-N 1 0 276.380 2.347 10 0 CEAERO Cc1ccc([C@H]2[C@@H]([NH3+])CCC(=O)N2C2CC2)cc1C ZINC000070987593 176018393 /nfs/dbraw/zinc/01/83/93/176018393.db2.gz OZFCJDRBFOFSPA-HOCLYGCPSA-N 1 0 258.365 2.457 10 0 CEAERO [NH3+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c(F)cccc1F ZINC000070987291 176018682 /nfs/dbraw/zinc/01/86/82/176018682.db2.gz OZVBJVISSQVGKD-BXUZGUMPSA-N 1 0 266.291 2.118 10 0 CEAERO [NH3+][C@H]1CCC(=O)N(C2CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000070987095 176018701 /nfs/dbraw/zinc/01/87/01/176018701.db2.gz FDMUXUXCCHZUQM-SMDDNHRTSA-N 1 0 284.281 2.257 10 0 CEAERO CC[NH2+][C@@H]1CCCN(C[C@H]2CCCC[C@@H]2C)C1=O ZINC000071031603 176022871 /nfs/dbraw/zinc/02/28/71/176022871.db2.gz ADJCTEOUMFEHDY-BFHYXJOUSA-N 1 0 252.402 2.413 10 0 CEAERO CC[C@@H](c1cccs1)N1CCC[C@H]([NH2+]C)C1=O ZINC000071031736 176022905 /nfs/dbraw/zinc/02/29/05/176022905.db2.gz GNCDBARHPUXZRA-QWRGUYRKSA-N 1 0 252.383 2.410 10 0 CEAERO CCC[NH2+][C@@H]1CCCN(Cc2ccc(C)cc2)C1=O ZINC000071033079 176023649 /nfs/dbraw/zinc/02/36/49/176023649.db2.gz KMFMAMQKVDHBCC-OAHLLOKOSA-N 1 0 260.381 2.486 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000071032938 176023772 /nfs/dbraw/zinc/02/37/72/176023772.db2.gz UWSZRBGDOJKKQU-GFCCVEGCSA-N 1 0 254.280 2.068 10 0 CEAERO CCC[NH2+][C@H]1CCCN(C[C@H]2CC=CCC2)C1=O ZINC000071034545 176024795 /nfs/dbraw/zinc/02/47/95/176024795.db2.gz OYPAKYLJCUTUBI-KBPBESRZSA-N 1 0 250.386 2.333 10 0 CEAERO CCC[NH2+][C@@H]1CCN(c2cccc3cccnc32)C1=O ZINC000071037597 176026318 /nfs/dbraw/zinc/02/63/18/176026318.db2.gz KMHKYPPLIVKWRO-CYBMUJFWSA-N 1 0 269.348 2.340 10 0 CEAERO CC(C)[NH2+][C@H]1CCN(c2cccc3ncccc32)C1=O ZINC000071037554 176026736 /nfs/dbraw/zinc/02/67/36/176026736.db2.gz ITKIJZAORFXFMV-AWEZNQCLSA-N 1 0 269.348 2.338 10 0 CEAERO CC[C@H](c1ccccc1)N1CC[C@H]([NH2+]C2CC2)C1=O ZINC000071041852 176028034 /nfs/dbraw/zinc/02/80/34/176028034.db2.gz UOXXCWHLXRNHBV-LSDHHAIUSA-N 1 0 258.365 2.491 10 0 CEAERO C[C@H](C1CCCC1)N1CCC[C@@H]([NH2+]C2CC2)C1=O ZINC000071043965 176029755 /nfs/dbraw/zinc/02/97/55/176029755.db2.gz LFUYUOOJFSYHGW-BXUZGUMPSA-N 1 0 250.386 2.308 10 0 CEAERO c1ccc2c(c1)CCO[C@H]2C[NH2+]CC[C@H]1CCCO1 ZINC000071090781 176031205 /nfs/dbraw/zinc/03/12/05/176031205.db2.gz IPFWHEVPVQEQDI-ZBFHGGJFSA-N 1 0 261.365 2.459 10 0 CEAERO Cc1cnc(C[NH2+]C[C@@H]2OCCc3ccccc32)cn1 ZINC000071091141 176031270 /nfs/dbraw/zinc/03/12/70/176031270.db2.gz QUGHOPFNYIKHRR-INIZCTEOSA-N 1 0 269.348 2.189 10 0 CEAERO c1ccc2c(c1)CCO[C@@H]2C[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000071090992 176031637 /nfs/dbraw/zinc/03/16/37/176031637.db2.gz KXRUZEGLUTYCGA-RHSMWYFYSA-N 1 0 272.392 2.127 10 0 CEAERO CC[C@H]1CCC[C@](CO)([NH2+]CCN(CC)CC)C1 ZINC000071127828 176035951 /nfs/dbraw/zinc/03/59/51/176035951.db2.gz LWPUEZRYQWKVDL-GJZGRUSLSA-N 1 0 256.434 2.249 10 0 CEAERO CCC[NH2+][C@@H](c1ccc(CCOC)cc1)[C@H]1COCCO1 ZINC000071138256 176037006 /nfs/dbraw/zinc/03/70/06/176037006.db2.gz ZIJWMCYNXHHJEO-SJORKVTESA-N 1 0 293.407 2.332 10 0 CEAERO C[NH2+]C[C@H]1CCN(C(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000071144264 176041533 /nfs/dbraw/zinc/04/15/33/176041533.db2.gz OTQNSEVUFNIKTO-JISDDCRVSA-N 1 0 291.439 2.206 10 0 CEAERO CC[C@@H]1CCCC[C@@]1(C[NH3+])N(C)Cc1nccn1C ZINC000071162180 176046171 /nfs/dbraw/zinc/04/61/71/176046171.db2.gz DOCFDOHSQXWMTL-HIFRSBDPSA-N 1 0 264.417 2.150 10 0 CEAERO CC[C@@H]1CCCC[C@@]1(CN)[N@H+](CCOC)[C@@H](C)COC ZINC000071161953 176046691 /nfs/dbraw/zinc/04/66/91/176046691.db2.gz HYZQBFNCZDTOBG-XHSDSOJGSA-N 1 0 286.460 2.267 10 0 CEAERO CC[C@H]1CCCC[C@@]1(CN)[N@H+](CCOC)[C@@H](C)COC ZINC000071161954 176046759 /nfs/dbraw/zinc/04/67/59/176046759.db2.gz HYZQBFNCZDTOBG-JYJNAYRXSA-N 1 0 286.460 2.267 10 0 CEAERO CC[NH2+]Cc1cc(C)c(O[C@H]2CCN(C)C2=O)c(C)c1 ZINC000071182791 176058034 /nfs/dbraw/zinc/05/80/34/176058034.db2.gz IDEBUQGENGCAIX-AWEZNQCLSA-N 1 0 276.380 2.022 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccc(O[C@H]2CCN(C)C2=O)cc1 ZINC000071182902 176058265 /nfs/dbraw/zinc/05/82/65/176058265.db2.gz PLQWUFURRWHGBS-WFASDCNBSA-N 1 0 276.380 2.357 10 0 CEAERO CN1CC[C@@H]([NH2+]Cc2cccc3ccccc32)C1=O ZINC000071183839 176058976 /nfs/dbraw/zinc/05/89/76/176058976.db2.gz UMQWTRBGZZDFPV-OAHLLOKOSA-N 1 0 254.333 2.160 10 0 CEAERO CC(C)[C@@H]([NH2+][C@H]1CCN(C)C1=O)c1cccs1 ZINC000071183739 176059066 /nfs/dbraw/zinc/05/90/66/176059066.db2.gz CRPKEVKFGQPBCD-CMPLNLGQSA-N 1 0 252.383 2.266 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc(C)c(O[C@@H]2CCN(C)C2=O)c(C)c1 ZINC000071184736 176059414 /nfs/dbraw/zinc/05/94/14/176059414.db2.gz LWPMNOALTKRKLU-HUUCEWRRSA-N 1 0 290.407 2.193 10 0 CEAERO CN(C[C@H]1CC[N@H+](C)C1)c1ccc2cc(N)ccc2n1 ZINC000071188500 176063110 /nfs/dbraw/zinc/06/31/10/176063110.db2.gz JGMUBMXKAKFHGI-LBPRGKRZSA-N 1 0 270.380 2.205 10 0 CEAERO C[C@@H](C[N@H+](C)C[C@@H]1CCN(C)C1)C(=O)c1ccccc1 ZINC000071191226 176069416 /nfs/dbraw/zinc/06/94/16/176069416.db2.gz VFKPPYPQJQBOPR-LSDHHAIUSA-N 1 0 274.408 2.389 10 0 CEAERO CC[C@H]1CC[C@H](C(=O)[O-])[C@H]([N@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071192710 176074830 /nfs/dbraw/zinc/07/48/30/176074830.db2.gz JNMHNXBGLLVAHU-LJISPDSOSA-N 1 0 282.428 2.149 10 0 CEAERO c1ccc2c(c1)OCC[C@H]2N1CC[C@H]([NH2+]C2CC2)C1 ZINC000071199711 176077205 /nfs/dbraw/zinc/07/72/05/176077205.db2.gz DDTUNGZNFVMWIQ-DZGCQCFKSA-N 1 0 258.365 2.337 10 0 CEAERO Cc1csc(CCN2CC[C@H]([NH2+]C(C)C)C2)n1 ZINC000071200229 176077689 /nfs/dbraw/zinc/07/76/89/176077689.db2.gz BCGRGEQFQRQLIC-LBPRGKRZSA-N 1 0 253.415 2.066 10 0 CEAERO COc1cc(OC)c([C@@H]2C[NH2+][C@@H](C)C2)c(OC)c1 ZINC000071202255 176078320 /nfs/dbraw/zinc/07/83/20/176078320.db2.gz QUNCETRHAHGWNR-UWVGGRQHSA-N 1 0 251.326 2.178 10 0 CEAERO COCCN(CCC(N)=[NH2+])c1nc2ccccc2s1 ZINC000071229301 176091039 /nfs/dbraw/zinc/09/10/39/176091039.db2.gz PJGXGFYSTSATRK-UHFFFAOYSA-N 1 0 278.381 2.075 10 0 CEAERO CN(Cc1ccccn1)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267679 176101266 /nfs/dbraw/zinc/10/12/66/176101266.db2.gz AALRGMOPPIPKQD-UHFFFAOYSA-N 1 0 272.327 2.137 10 0 CEAERO COC[C@@H](O)C[NH2+]C1c2ccccc2Oc2ccccc21 ZINC000071268677 176102445 /nfs/dbraw/zinc/10/24/45/176102445.db2.gz BGKPSONUVKYZDP-LBPRGKRZSA-N 1 0 285.343 2.479 10 0 CEAERO CC(C)C[C@H]1CSC(NCc2nccn2C)=[NH+]1 ZINC000071274601 176106416 /nfs/dbraw/zinc/10/64/16/176106416.db2.gz YXZHNXWOVAGLKP-JTQLQIEISA-N 1 0 252.387 2.027 10 0 CEAERO COCc1cc([C@@H](C)[NH2+]C[C@H](O)C2CC2)ccc1OC ZINC000071301011 176113902 /nfs/dbraw/zinc/11/39/02/176113902.db2.gz FELUSRZKGVYNIS-ABAIWWIYSA-N 1 0 279.380 2.263 10 0 CEAERO COc1ccc2c(c1)CCC[C@H]2N(C)[C@@H]1CC[NH2+]C1 ZINC000071309704 176116681 /nfs/dbraw/zinc/11/66/81/176116681.db2.gz XQSGTWYQBCEQRO-CZUORRHYSA-N 1 0 260.381 2.366 10 0 CEAERO Cc1ccc(SCCN(C)[C@H]2CC[NH2+]C2)cc1 ZINC000071311422 176118375 /nfs/dbraw/zinc/11/83/75/176118375.db2.gz LPWMNHOJZPKRKX-ZDUSSCGKSA-N 1 0 250.411 2.381 10 0 CEAERO CCN([C@@H](C)c1cc(OC)ccc1OC)[C@@H]1CC[NH2+]C1 ZINC000071311957 176118831 /nfs/dbraw/zinc/11/88/31/176118831.db2.gz ORDYKQDHRRMKMA-QWHCGFSZSA-N 1 0 278.396 2.449 10 0 CEAERO CCN(C(=O)c1cc(Cl)ccc1OC)[C@H]1CC[NH2+]C1 ZINC000071312593 176119148 /nfs/dbraw/zinc/11/91/48/176119148.db2.gz GCPWQLPBOQJNNO-NSHDSACASA-N 1 0 282.771 2.173 10 0 CEAERO CCCc1ccc(NC(=O)CN(CC)[C@H]2CC[NH2+]C2)cc1 ZINC000071313059 176119543 /nfs/dbraw/zinc/11/95/43/176119543.db2.gz QWRKXVSOKMFNRP-INIZCTEOSA-N 1 0 289.423 2.261 10 0 CEAERO CCN(CC(C)(C)C(=O)Nc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000071313364 176120221 /nfs/dbraw/zinc/12/02/21/176120221.db2.gz GMOLVGYPVVLPHF-OAHLLOKOSA-N 1 0 289.423 2.335 10 0 CEAERO CCN(CCOc1cc(C)cc(C)c1)[C@H]1CC[NH2+]C1 ZINC000071313963 176120478 /nfs/dbraw/zinc/12/04/78/176120478.db2.gz STOFRZLIXHBWDV-HNNXBMFYSA-N 1 0 262.397 2.366 10 0 CEAERO CCCS(=O)(=O)c1ccccc1N(CC)[C@@H]1CC[NH2+]C1 ZINC000071314416 176120980 /nfs/dbraw/zinc/12/09/80/176120980.db2.gz HDCAUZJYTBFJMF-CYBMUJFWSA-N 1 0 296.436 2.059 10 0 CEAERO CCCN(C(=O)c1ccc(Cl)cc1O)[C@@H]1CC[NH2+]C1 ZINC000071330178 176124564 /nfs/dbraw/zinc/12/45/64/176124564.db2.gz WTJHIJWNUBCJRL-LLVKDONJSA-N 1 0 282.771 2.260 10 0 CEAERO COc1ccc(C2CC([NH2+]Cc3ccnn3C)C2)cc1 ZINC000071333362 176126188 /nfs/dbraw/zinc/12/61/88/176126188.db2.gz IULJGJXDHOABIH-UHFFFAOYSA-N 1 0 271.364 2.465 10 0 CEAERO Cn1nccc1CNC1=[NH+]C[C@H](c2ccccc2)S1 ZINC000071334602 176126426 /nfs/dbraw/zinc/12/64/26/176126426.db2.gz WSXXDXYCCVKNGK-CYBMUJFWSA-N 1 0 272.377 2.354 10 0 CEAERO Cn1nccc1C[NH2+][C@H]1CCCc2cc(O)ccc21 ZINC000071333675 176126503 /nfs/dbraw/zinc/12/65/03/176126503.db2.gz GSYGNRTWLNMIHR-HNNXBMFYSA-N 1 0 257.337 2.293 10 0 CEAERO CC(C)C[C@@H](CNC1CN(C(=O)OC(C)(C)C)C1)[NH+](C)C ZINC000071335452 176126955 /nfs/dbraw/zinc/12/69/55/176126955.db2.gz LFCLQTJQGCQFTK-AWEZNQCLSA-N 1 0 299.459 2.172 10 0 CEAERO Cc1cccc(C(=O)NC[C@H]2[NH2+]CCC[C@@H]2C)c1C ZINC000071338498 176128837 /nfs/dbraw/zinc/12/88/37/176128837.db2.gz PEQXSGHPAOFLPK-SWLSCSKDSA-N 1 0 260.381 2.421 10 0 CEAERO C[C@H]1CCC[NH2+][C@H]1CNC(=O)c1c(F)cccc1F ZINC000071338631 176129071 /nfs/dbraw/zinc/12/90/71/176129071.db2.gz JOCIYNPTLBTGQJ-CABZTGNLSA-N 1 0 268.307 2.083 10 0 CEAERO C[C@H]1CCC[NH2+][C@H]1CNC(=O)Nc1ccc(F)cc1F ZINC000071338973 176129302 /nfs/dbraw/zinc/12/93/02/176129302.db2.gz IYWUVFZZVRSCKA-ZANVPECISA-N 1 0 283.322 2.474 10 0 CEAERO Cc1cccnc1C[NH2+][C@@H]1CCCc2c1cnn2C ZINC000071339608 176129771 /nfs/dbraw/zinc/12/97/71/176129771.db2.gz UQNIZYZQLBJOMD-CYBMUJFWSA-N 1 0 256.353 2.291 10 0 CEAERO CC[C@H](C)[C@@H]1CN[C@@H](CC)C[N@@H+]1CCCn1ccnc1 ZINC000071343774 176130999 /nfs/dbraw/zinc/13/09/99/176130999.db2.gz UERSAKRSEAXGRB-JYJNAYRXSA-N 1 0 278.444 2.372 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@H](CC(C)C)CN1Cc1cnn(C)c1 ZINC000071350481 176133850 /nfs/dbraw/zinc/13/38/50/176133850.db2.gz ZGYZMKCHCWJRQY-JKSUJKDBSA-N 1 0 278.444 2.409 10 0 CEAERO CC(C)C[C@@H]1CN(Cc2ncccn2)[C@H](C(C)C)C[NH2+]1 ZINC000071350537 176134306 /nfs/dbraw/zinc/13/43/06/176134306.db2.gz HGVCEGWIVZBTEP-CABCVRRESA-N 1 0 276.428 2.321 10 0 CEAERO CC[C@H](C)[C@@H]1C[N@H+](CCCn2ccnc2)[C@@H](CC)CN1 ZINC000071353985 176136035 /nfs/dbraw/zinc/13/60/35/176136035.db2.gz MGXDSVSUSQJOLD-JYJNAYRXSA-N 1 0 278.444 2.372 10 0 CEAERO CC[C@H]1C[NH2+][C@@](C)(CC)CN1Cc1cccc(OC)n1 ZINC000071356645 176136498 /nfs/dbraw/zinc/13/64/98/176136498.db2.gz AZEMQHVGSUBTGH-HOCLYGCPSA-N 1 0 277.412 2.443 10 0 CEAERO CC[C@@H]1C[NH2+][C@](C)(CC)CN1Cc1cccc(OC)n1 ZINC000071356646 176136625 /nfs/dbraw/zinc/13/66/25/176136625.db2.gz AZEMQHVGSUBTGH-GDBMZVCRSA-N 1 0 277.412 2.443 10 0 CEAERO CC[C@H]1CNC2(CCCC2)C[N@@H+]1CC1CCOCC1 ZINC000071358365 176137780 /nfs/dbraw/zinc/13/77/80/176137780.db2.gz FXTVWZXPRYQDGZ-HNNXBMFYSA-N 1 0 266.429 2.410 10 0 CEAERO Cn1c(C[NH3+])nnc1SCCOc1ccc(Cl)cc1 ZINC000071374084 176138958 /nfs/dbraw/zinc/13/89/58/176138958.db2.gz OZIUUVODDZFZQX-UHFFFAOYSA-N 1 0 298.799 2.098 10 0 CEAERO Cc1cc(N)ccc1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000071376538 176140965 /nfs/dbraw/zinc/14/09/65/176140965.db2.gz OXCRSWKVPZGRCC-UHFFFAOYSA-N 1 0 275.396 2.181 10 0 CEAERO Cc1ccc(N)c(C(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000071383269 176146696 /nfs/dbraw/zinc/14/66/96/176146696.db2.gz QYHHHLYVHQTSBU-UHFFFAOYSA-N 1 0 287.407 2.278 10 0 CEAERO CC(C)C[C@@H](C[NH3+])Nc1nc2ccccc2cc1C(N)=O ZINC000071386174 176147283 /nfs/dbraw/zinc/14/72/83/176147283.db2.gz CIWFUYZTSSRYND-LBPRGKRZSA-N 1 0 286.379 2.119 10 0 CEAERO CC(C)OCCOc1nc2ccccc2cc1C(N)=[NH2+] ZINC000071390330 176148371 /nfs/dbraw/zinc/14/83/71/176148371.db2.gz MNGCSENIKRLQEX-UHFFFAOYSA-N 1 0 273.336 2.323 10 0 CEAERO CN(c1nc2ccccc2cc1C(N)=[NH2+])[C@@H]1CCSC1 ZINC000071390042 176148573 /nfs/dbraw/zinc/14/85/73/176148573.db2.gz AGUYZXRFFLIXNW-LLVKDONJSA-N 1 0 286.404 2.461 10 0 CEAERO CC[C@@H](Oc1ccc(C[NH2+]C)cc1C(F)(F)F)C(N)=O ZINC000071398520 176151899 /nfs/dbraw/zinc/15/18/99/176151899.db2.gz OGTXYECSALHTQD-SNVBAGLBSA-N 1 0 290.285 2.068 10 0 CEAERO [NH3+][C@H](CCC(=O)N1CCCC[C@H]1CCO)c1ccccc1 ZINC000071400182 176152631 /nfs/dbraw/zinc/15/26/31/176152631.db2.gz UNVISYVKLNAWRZ-JKSUJKDBSA-N 1 0 290.407 2.230 10 0 CEAERO CCNC(=O)COc1ccc(C)cc1C[NH2+]CC(C)C ZINC000071407365 176156318 /nfs/dbraw/zinc/15/63/18/176156318.db2.gz QGHGWXKJJZTJBH-UHFFFAOYSA-N 1 0 278.396 2.256 10 0 CEAERO Cc1ccc(O[C@@H](C)C(N)=O)c(C[NH2+]C(C)(C)C)c1 ZINC000071407170 176156525 /nfs/dbraw/zinc/15/65/25/176156525.db2.gz XHEYGGVGUIKUEF-NSHDSACASA-N 1 0 264.369 2.136 10 0 CEAERO CCCCOC(=O)COc1ccc(C)cc1CC[NH3+] ZINC000071411471 176156957 /nfs/dbraw/zinc/15/69/57/176156957.db2.gz FVNQIGDAOQAVKB-UHFFFAOYSA-N 1 0 265.353 2.218 10 0 CEAERO Cc1ccc(O[C@@H](C)C(=O)NC(C)(C)C)c(CC[NH3+])c1 ZINC000071411245 176157134 /nfs/dbraw/zinc/15/71/34/176157134.db2.gz YRXONSWMVJDLJW-LBPRGKRZSA-N 1 0 278.396 2.178 10 0 CEAERO Cc1ccc(OCC(=O)N[C@H](C)C(C)C)c(CC[NH3+])c1 ZINC000071411457 176157156 /nfs/dbraw/zinc/15/71/56/176157156.db2.gz LKNIUJPDVNSXHU-CYBMUJFWSA-N 1 0 278.396 2.036 10 0 CEAERO CCC(CC)NC(=O)COc1ccc(C)cc1CC[NH3+] ZINC000071411584 176157176 /nfs/dbraw/zinc/15/71/76/176157176.db2.gz FHSIPRQWICWGML-UHFFFAOYSA-N 1 0 278.396 2.180 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc(C)ccc1OCC(=O)NCC(C)C ZINC000071412347 176157432 /nfs/dbraw/zinc/15/74/32/176157432.db2.gz OFWZJTBJCXUONS-OAHLLOKOSA-N 1 0 292.423 2.426 10 0 CEAERO Cc1ccncc1NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000071414229 176159599 /nfs/dbraw/zinc/15/95/99/176159599.db2.gz ROXMCXWUDOIIMT-ZDUSSCGKSA-N 1 0 255.321 2.419 10 0 CEAERO COc1cc(OC)c(OC)cc1C[C@@H]1CCC[NH2+]1 ZINC000071477165 176187488 /nfs/dbraw/zinc/18/74/88/176187488.db2.gz OPBBOUXPWANWAY-NSHDSACASA-N 1 0 251.326 2.007 10 0 CEAERO COc1ccc([C@@H](C[NH3+])N2CCCC2)cc1Cl ZINC000071576291 176203887 /nfs/dbraw/zinc/20/38/87/176203887.db2.gz ZASWHDTUCWEJAP-GFCCVEGCSA-N 1 0 254.761 2.444 10 0 CEAERO CC(C)Cc1ccc([C@@H](CO)N2CCC[NH2+]CC2)cc1 ZINC000071627323 176235463 /nfs/dbraw/zinc/23/54/63/176235463.db2.gz DMNRTMFHISTVOS-QGZVFWFLSA-N 1 0 276.424 2.214 10 0 CEAERO OC1(C[NH+]2CCC(Cc3ncccn3)CC2)CCCCC1 ZINC000072366738 176381977 /nfs/dbraw/zinc/38/19/77/176381977.db2.gz TXTWCNZACMUFTM-UHFFFAOYSA-N 1 0 289.423 2.426 10 0 CEAERO COc1ccc([C@@H]2Cc3n[nH]c(C)c3[C@H]([NH3+])C2)cc1OC ZINC000072415419 176399530 /nfs/dbraw/zinc/39/95/30/176399530.db2.gz NUVJZRAIFHMHDR-NWDGAFQWSA-N 1 0 287.363 2.465 10 0 CEAERO [NH3+]C1(CNc2ccc(OC(F)F)cn2)CCCC1 ZINC000656610542 415786786 /nfs/dbraw/zinc/78/67/86/415786786.db2.gz IKBZELFYQDSVNL-UHFFFAOYSA-N 1 0 257.284 2.366 10 0 CEAERO CC[C@@H]([NH2+]C)C(=O)N[C@@H](C)c1cc(C)ccc1OC ZINC000662355914 415798164 /nfs/dbraw/zinc/79/81/64/415798164.db2.gz NBCUGYXSOFMSTN-WCQYABFASA-N 1 0 264.369 2.179 10 0 CEAERO C[C@@H]1CN(C(=O)CCc2ccc(F)cc2)C[C@@H](C)[NH+]1C ZINC000074556887 176586840 /nfs/dbraw/zinc/58/68/40/176586840.db2.gz ZODZIPOKLUUMFV-CHWSQXEVSA-N 1 0 278.371 2.309 10 0 CEAERO CC[NH+](CC)CCCNC(=O)c1cn2cc(C)sc2n1 ZINC000075303782 176685385 /nfs/dbraw/zinc/68/53/85/176685385.db2.gz GJSSDOORCKUDNE-UHFFFAOYSA-N 1 0 294.424 2.166 10 0 CEAERO C[NH2+]CC(=O)N[C@H](C)c1cc(C(C)C)ccc1OC ZINC000076368854 177006027 /nfs/dbraw/zinc/00/60/27/177006027.db2.gz XLAXKANKFPEBGY-LLVKDONJSA-N 1 0 264.369 2.215 10 0 CEAERO C[NH2+]CCC(=O)N[C@H](C)c1cc(C)c(C)cc1OC ZINC000076369140 177006398 /nfs/dbraw/zinc/00/63/98/177006398.db2.gz UBGQPJICSXAPNS-GFCCVEGCSA-N 1 0 264.369 2.099 10 0 CEAERO CCNC(=O)[C@@H](CCC[NH3+])c1ccc(Cl)cc1 ZINC000076658931 177047604 /nfs/dbraw/zinc/04/76/04/177047604.db2.gz SGFQNEAMYCAEJQ-LBPRGKRZSA-N 1 0 254.761 2.299 10 0 CEAERO COc1cccc(N(CC[NH3+])Cc2ccncc2)c1 ZINC000076664292 177050649 /nfs/dbraw/zinc/05/06/49/177050649.db2.gz CAYUOJNHBFWRHX-UHFFFAOYSA-N 1 0 257.337 2.056 10 0 CEAERO C[C@H]1COC[C@@]2(CCCN(Cc3ccccc3)C2)[NH2+]1 ZINC000076698228 177061552 /nfs/dbraw/zinc/06/15/52/177061552.db2.gz IVHHEJJAJCUDFZ-HOCLYGCPSA-N 1 0 260.381 2.030 10 0 CEAERO Cc1cccc(C)c1NC(=O)COC1CC[NH2+]CC1 ZINC000077252219 177239983 /nfs/dbraw/zinc/23/99/83/177239983.db2.gz YFWQOWKJLRVOBM-UHFFFAOYSA-N 1 0 262.353 2.011 10 0 CEAERO CCSc1ccc(NC(=O)C[NH2+]C2CC2)cc1 ZINC000077432307 177268214 /nfs/dbraw/zinc/26/82/14/177268214.db2.gz TUPGLFCTZKIXEV-UHFFFAOYSA-N 1 0 250.367 2.489 10 0 CEAERO COC[C@H]1CC[N@H+](C[C@@H](O)c2ccc(C)c(C)c2)C1 ZINC000077897555 177308276 /nfs/dbraw/zinc/30/82/76/177308276.db2.gz MIPYOURMAARKFB-GOEBONIOSA-N 1 0 263.381 2.305 10 0 CEAERO COc1ccc(NC(=O)CC[C@@H](C)CC[NH3+])cc1 ZINC000079077702 177429424 /nfs/dbraw/zinc/42/94/24/177429424.db2.gz HDPHKCWIQKZGBN-LLVKDONJSA-N 1 0 250.342 2.399 10 0 CEAERO C[C@H](CC[NH3+])CCC(=O)Nc1ccc(Cl)cn1 ZINC000079079446 177429924 /nfs/dbraw/zinc/42/99/24/177429924.db2.gz RKCBVYRHEYNDIT-VIFPVBQESA-N 1 0 255.749 2.439 10 0 CEAERO CC[C@@H](CC[NH3+])CCC(=O)Nc1ccccc1C(=O)NC ZINC000079207221 177445939 /nfs/dbraw/zinc/44/59/39/177445939.db2.gz MXZACHTWLSLLMO-GFCCVEGCSA-N 1 0 291.395 2.140 10 0 CEAERO CC[C@@H](CC[NH3+])CCC(=O)N1CCCSCC1 ZINC000079212386 177448134 /nfs/dbraw/zinc/44/81/34/177448134.db2.gz VNJCJWYAEVGDDX-GFCCVEGCSA-N 1 0 258.431 2.107 10 0 CEAERO CCC[C@H](CC[NH3+])CCc1nnc2cc(C)ncn21 ZINC000079231922 177451996 /nfs/dbraw/zinc/45/19/96/177451996.db2.gz BTDTVSRTGXBDTP-LBPRGKRZSA-N 1 0 261.373 2.130 10 0 CEAERO CCC[C@H](CC[NH3+])CCC(=O)NCc1ccco1 ZINC000079234609 177452376 /nfs/dbraw/zinc/45/23/76/177452376.db2.gz XSQZSRYSNMPGOS-LBPRGKRZSA-N 1 0 252.358 2.441 10 0 CEAERO CCC[C@H](CC[NH3+])CCC(=O)Nc1ccc(=O)n(CC)c1 ZINC000079237978 177453350 /nfs/dbraw/zinc/45/33/50/177453350.db2.gz GOZFJNFWBXCMCX-ZDUSSCGKSA-N 1 0 293.411 2.352 10 0 CEAERO CCC[C@@H](CC[NH3+])CCC(=O)N(C)[C@@H](C)COC ZINC000079238496 177453770 /nfs/dbraw/zinc/45/37/70/177453770.db2.gz PKGSFLDVPMESMU-QWHCGFSZSA-N 1 0 258.406 2.025 10 0 CEAERO CCN(C[C@@H]1CCCO1)C(=O)CC[C@@H](CC[NH3+])C(C)C ZINC000079278064 177461794 /nfs/dbraw/zinc/46/17/94/177461794.db2.gz OPYRGTQEPRQHSI-GJZGRUSLSA-N 1 0 284.444 2.415 10 0 CEAERO CCO[C@H](C[NH3+])CN1CC[C@@H](C(C)(C)C)CCC1=O ZINC000079281760 177462945 /nfs/dbraw/zinc/46/29/45/177462945.db2.gz VEWSFUJAPTXANY-QWHCGFSZSA-N 1 0 270.417 2.025 10 0 CEAERO CC[C@]([NH3+])(COC)Cc1ncc(C)c(OC)c1C ZINC000079720404 177543090 /nfs/dbraw/zinc/54/30/90/177543090.db2.gz SWYVJUYTHYCZLO-CQSZACIVSA-N 1 0 252.358 2.003 10 0 CEAERO CCC[C@@H](COC)[NH2+]C[C@@H](O)CO[C@@H]1CCCC[C@@H]1C ZINC000079743672 177548806 /nfs/dbraw/zinc/54/88/06/177548806.db2.gz NSBORBFTZGGRBP-CAOSSQGBSA-N 1 0 287.444 2.347 10 0 CEAERO CC[C@@](C)(C[NH3+])N(C)C(=O)Nc1ccccc1OC ZINC000079869520 177573467 /nfs/dbraw/zinc/57/34/67/177573467.db2.gz WKTKIWKDTWLZOO-AWEZNQCLSA-N 1 0 265.357 2.286 10 0 CEAERO COc1cc(OC)cc([C@@H]2OCCC[C@H]2C[NH3+])c1 ZINC000079898748 177577938 /nfs/dbraw/zinc/57/79/38/177577938.db2.gz KMCYGYWNILHZKI-IINYFYTJSA-N 1 0 251.326 2.130 10 0 CEAERO O=C1CC[C@H](C[NH2+][C@@H]2CCCCc3ccccc32)N1 ZINC000079927227 177581016 /nfs/dbraw/zinc/58/10/16/177581016.db2.gz MZNOXPZGNFSZBL-UKRRQHHQSA-N 1 0 258.365 2.322 10 0 CEAERO Cc1nn(C[C@H]2CCCO2)c(C)c1CC[NH2+]C(C)C ZINC000080064066 177604250 /nfs/dbraw/zinc/60/42/50/177604250.db2.gz UIABRLZHPHVXJK-CQSZACIVSA-N 1 0 265.401 2.219 10 0 CEAERO CC(C)CS(=O)(=O)Nc1cccc([C@H](C)[NH3+])c1 ZINC000080189113 177621920 /nfs/dbraw/zinc/62/19/20/177621920.db2.gz ZVZQLMKTRCOFBL-JTQLQIEISA-N 1 0 256.371 2.104 10 0 CEAERO O[C@@H](COCc1ccccc1)CN1CCCC(F)(F)C1 ZINC000405110697 419402079 /nfs/dbraw/zinc/40/20/79/419402079.db2.gz NFXJGZCELGTDQH-CQSZACIVSA-N 1 0 285.334 2.295 10 0 CEAERO O=C([C@@H]1C[C@H]2C[C@H]2C1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000313358438 419478614 /nfs/dbraw/zinc/47/86/14/419478614.db2.gz QHBLSELGKNYDNQ-QKPAOTATSA-N 1 0 270.376 2.206 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H](C)Cc1cccs1 ZINC000136338396 419444214 /nfs/dbraw/zinc/44/42/14/419444214.db2.gz ZBUCHMSOWJIUMX-JQWIXIFHSA-N 1 0 254.399 2.169 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)Cc1ccc(F)cc1 ZINC000136313348 419445117 /nfs/dbraw/zinc/44/51/17/419445117.db2.gz AMBXYBKPSYBWKV-ZDUSSCGKSA-N 1 0 252.333 2.158 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000136371952 419447919 /nfs/dbraw/zinc/44/79/19/419447919.db2.gz LFXNQUGFIPPGDA-HNNXBMFYSA-N 1 0 286.379 2.243 10 0 CEAERO CC[C@H](NC(=O)C[C@@H]([NH3+])C(C)C)c1nccs1 ZINC000136471283 419448673 /nfs/dbraw/zinc/44/86/73/419448673.db2.gz FYYJYPWGOQNQSP-ZJUUUORDSA-N 1 0 255.387 2.084 10 0 CEAERO O[C@@H]1C[C@H](c2ccccc2)[C@@H]([NH2+]CC2CCCC2)[C@@H]1O ZINC000072321650 260187849 /nfs/dbraw/zinc/18/78/49/260187849.db2.gz PZHQFMGKOJLEBE-QBPKDAKJSA-N 1 0 275.392 2.044 10 0 CEAERO CCC[C@@H](C)[NH+]1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000187683010 270255414 /nfs/dbraw/zinc/25/54/14/270255414.db2.gz JXZNEQMRVHFYQW-VXGBXAGGSA-N 1 0 266.389 2.245 10 0 CEAERO CCC1CCC(NC(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)CC1 ZINC000127005526 264246235 /nfs/dbraw/zinc/24/62/35/264246235.db2.gz ZUBJOQAESFEWCG-ABXWRUBCSA-N 1 0 252.402 2.460 10 0 CEAERO C[C@@H]([NH3+])CCNC(=O)Nc1ccc(Br)cc1 ZINC000398629003 270360450 /nfs/dbraw/zinc/36/04/50/270360450.db2.gz QGYMVCDKIYKHPG-MRVPVSSYSA-N 1 0 286.173 2.308 10 0 CEAERO CC(C)(C)OC(=O)N1Cc2ccccc2[C@H](C[NH3+])C1 ZINC000238161402 265369555 /nfs/dbraw/zinc/36/95/55/265369555.db2.gz KOSDXZFHFRRRIA-GFCCVEGCSA-N 1 0 262.353 2.480 10 0 CEAERO CC(C)(CCCO)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000300413929 277296169 /nfs/dbraw/zinc/29/61/69/277296169.db2.gz FNKMTQWIEXFGND-JHJVBQTASA-N 1 0 255.402 2.188 10 0 CEAERO [NH3+]Cc1ccc(NC(=O)c2n[nH]c3ccccc32)cc1 ZINC000131415914 270235600 /nfs/dbraw/zinc/23/56/00/270235600.db2.gz UIGMEVSGIWWSEE-UHFFFAOYSA-N 1 0 266.304 2.274 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]C2CC(C)C2)C12CCOCC2 ZINC000186416271 270250402 /nfs/dbraw/zinc/25/04/02/270250402.db2.gz CAAFCQDUPODPFT-NWINJMCUSA-N 1 0 253.386 2.349 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)OCC1CC1 ZINC000189760532 270264505 /nfs/dbraw/zinc/26/45/05/270264505.db2.gz OSWPGJRDXBUFHB-CYBMUJFWSA-N 1 0 254.374 2.243 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)NCCc2ccc(F)cc2)C1 ZINC000194311029 270295965 /nfs/dbraw/zinc/29/59/65/270295965.db2.gz LNFRFBZNCTUHTL-HNNXBMFYSA-N 1 0 293.386 2.152 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@H](O)C2CCC2)c1C ZINC000316292760 270334266 /nfs/dbraw/zinc/33/42/66/270334266.db2.gz ZLVGFNRAAPBEMH-HZMBPMFUSA-N 1 0 265.401 2.331 10 0 CEAERO O[C@@H](C[NH2+]C[C@H]1CCCC1(F)F)COCc1ccco1 ZINC000390888579 270340364 /nfs/dbraw/zinc/34/03/64/270340364.db2.gz ZTTZJXXSPJOPMP-NEPJUHHUSA-N 1 0 289.322 2.182 10 0 CEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000392859794 270341640 /nfs/dbraw/zinc/34/16/40/270341640.db2.gz IRGWEUBQJMLIIB-NHYWBVRUSA-N 1 0 258.365 2.321 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]CC2([S@](C)=O)CCC2)c1C ZINC000393705233 270343793 /nfs/dbraw/zinc/34/37/93/270343793.db2.gz KAYJSUKDQLOLNQ-GIPWTMENSA-N 1 0 297.468 2.472 10 0 CEAERO Cc1ncsc1CC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398707126 270361616 /nfs/dbraw/zinc/36/16/16/270361616.db2.gz BIDJGHXCJVBXHS-AVGNSLFASA-N 1 0 266.410 2.087 10 0 CEAERO C[C@H](NC(=O)[C@@H]([NH3+])C1CCC1)c1ccc(F)c(F)c1 ZINC000398968271 270365178 /nfs/dbraw/zinc/36/51/78/270365178.db2.gz SWAWOFRMETZWRL-SDBXPKJASA-N 1 0 268.307 2.269 10 0 CEAERO C[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)O1 ZINC000246091248 287722032 /nfs/dbraw/zinc/72/20/32/287722032.db2.gz VDYSAJODZVQONM-RBSFLKMASA-N 1 0 280.412 2.031 10 0 CEAERO CSCCCNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000152019107 274175868 /nfs/dbraw/zinc/17/58/68/274175868.db2.gz IOURDPRFEKVEGP-AWEZNQCLSA-N 1 0 295.452 2.342 10 0 CEAERO C[C@@H]1C[N@H+](Cc2cccc3[nH]ccc32)C[C@H]1N1CCOCC1 ZINC000245709664 274354539 /nfs/dbraw/zinc/35/45/39/274354539.db2.gz FRXJWWSRNNSUGK-RDTXWAMCSA-N 1 0 299.418 2.320 10 0 CEAERO C[C@H]1CN(c2ccc(Br)cn2)CC[C@@H]1[NH3+] ZINC000086887119 274592593 /nfs/dbraw/zinc/59/25/93/274592593.db2.gz UQTYBCDTEVPKCU-WPRPVWTQSA-N 1 0 270.174 2.018 10 0 CEAERO Cc1nc(N2CC[NH2+]C(C)(C)C2)ccc1Br ZINC000235932102 274841618 /nfs/dbraw/zinc/84/16/18/274841618.db2.gz JCIBXKXAIPLJKN-UHFFFAOYSA-N 1 0 284.201 2.341 10 0 CEAERO CC1(C)CN(C(=O)c2cccc3c2CCC3)CC[C@H]1[NH3+] ZINC000261898850 275842937 /nfs/dbraw/zinc/84/29/37/275842937.db2.gz RIOJSCXDXKJUNW-OAHLLOKOSA-N 1 0 272.392 2.375 10 0 CEAERO CCC[C@H](C(=O)N[C@H]1CCOc2ccccc21)[NH+](C)C ZINC000179334094 276039041 /nfs/dbraw/zinc/03/90/41/276039041.db2.gz JOQUTFPJNAHLIN-UONOGXRCSA-N 1 0 276.380 2.357 10 0 CEAERO CCC[C@H](C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)[NH+](C)C ZINC000252735894 276039072 /nfs/dbraw/zinc/03/90/72/276039072.db2.gz RZUNSTMQLSIINQ-GBJTYRQASA-N 1 0 294.439 2.181 10 0 CEAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(F)(F)c1ncccc1C ZINC000194602925 276111536 /nfs/dbraw/zinc/11/15/36/276111536.db2.gz LPXCROUZEZQUND-LBPRGKRZSA-N 1 0 299.365 2.328 10 0 CEAERO CC1(C)CN(C(=O)c2ccc3ncccc3c2)CC[C@@H]1[NH3+] ZINC000261750260 276129281 /nfs/dbraw/zinc/12/92/81/276129281.db2.gz SYNPTXJQLIDXIN-HNNXBMFYSA-N 1 0 283.375 2.434 10 0 CEAERO CC1(C)CN(C(=O)c2cccc3c2CCC3)CC[C@@H]1[NH3+] ZINC000261898847 276130016 /nfs/dbraw/zinc/13/00/16/276130016.db2.gz RIOJSCXDXKJUNW-HNNXBMFYSA-N 1 0 272.392 2.375 10 0 CEAERO CC1(C)[C@H](C(F)(F)F)CCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000261569864 276161722 /nfs/dbraw/zinc/16/17/22/276161722.db2.gz NRJPWMIZDZYRNT-VHSXEESVSA-N 1 0 278.318 2.175 10 0 CEAERO CCOC1CC2(C1)CC[N@@H+]([C@H]1CCCC[C@@H]1O)C2 ZINC000334423277 276312085 /nfs/dbraw/zinc/31/20/85/276312085.db2.gz VJGVFEBWNKNSKI-GQKFXUNGSA-N 1 0 253.386 2.181 10 0 CEAERO CCO[C@@H]1C[C@]([NH3+])(C(=O)N2C[C@@H]3CCCC[C@H]3C2)C1(C)C ZINC000249075512 276356500 /nfs/dbraw/zinc/35/65/00/276356500.db2.gz NIWOHWLRRCEGBA-ZJOBFFGXSA-N 1 0 294.439 2.168 10 0 CEAERO C[NH+](C)[C@@H]1CCN(c2ncc(C(F)(F)F)s2)C1 ZINC000276756590 276837820 /nfs/dbraw/zinc/83/78/20/276837820.db2.gz INMYHIGLPHJILU-SSDOTTSWSA-N 1 0 265.304 2.302 10 0 CEAERO C[N@@H+]1CC[C@@]2(CCN(C(=O)N[C@H]3CCc4ccccc43)C2)C1 ZINC000291575404 277159719 /nfs/dbraw/zinc/15/97/19/277159719.db2.gz DORSAOAXFVPEEA-FUHWJXTLSA-N 1 0 299.418 2.411 10 0 CEAERO CC(C)(C)OC(=O)CC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000055059081 277176281 /nfs/dbraw/zinc/17/62/81/277176281.db2.gz ZSXNFZFSCUGYIM-STQMWFEESA-N 1 0 269.385 2.362 10 0 CEAERO C[NH2+]CCC1CCN(c2ncc(Br)cn2)CC1 ZINC000070190080 277266219 /nfs/dbraw/zinc/26/62/19/277266219.db2.gz CTGKUDWZIIZPEB-UHFFFAOYSA-N 1 0 299.216 2.065 10 0 CEAERO CO[C@H](C)c1nsc(N[C@H]2CCCC[C@H]2C[NH3+])n1 ZINC000261588618 277326716 /nfs/dbraw/zinc/32/67/16/277326716.db2.gz VUSXNJRYOBYQKG-UTLUCORTSA-N 1 0 270.402 2.175 10 0 CEAERO COC(=O)[C@H](C)C[N@@H+]1CCc2sccc2[C@H]1C ZINC000049538407 277381301 /nfs/dbraw/zinc/38/13/01/277381301.db2.gz UGIGEDOCVYIGPA-NXEZZACHSA-N 1 0 253.367 2.476 10 0 CEAERO C[C@H](C(=O)N1CCc2sccc2[C@@H]1C)C1C[NH2+]C1 ZINC000164316691 278144265 /nfs/dbraw/zinc/14/42/65/278144265.db2.gz KZHWQNPGVUMQFR-UWVGGRQHSA-N 1 0 264.394 2.049 10 0 CEAERO CC1(C)CCCC[C@H]1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000176797398 278209902 /nfs/dbraw/zinc/20/99/02/278209902.db2.gz MTTQPPIBHBDFKB-ZIAGYGMSSA-N 1 0 279.428 2.445 10 0 CEAERO CC1(C)CC[C@@H](NC(=O)C2C[NH2+]C2)c2ccccc21 ZINC000263240699 278266732 /nfs/dbraw/zinc/26/67/32/278266732.db2.gz CFMXPLKOIJNSEZ-CQSZACIVSA-N 1 0 258.365 2.135 10 0 CEAERO C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000130904839 278301865 /nfs/dbraw/zinc/30/18/65/278301865.db2.gz IBTPUIOGFHSXMW-QWRGUYRKSA-N 1 0 298.333 2.072 10 0 CEAERO C[C@H]1CC(C(=O)N2CC[C@H]([NH+](C)C)C2)C[C@H](C)C1 ZINC000180037696 278322836 /nfs/dbraw/zinc/32/28/36/278322836.db2.gz DJMIRZIMQFSBAV-BZPMIXESSA-N 1 0 252.402 2.221 10 0 CEAERO CCC1(C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)CCC1 ZINC000176219608 278616856 /nfs/dbraw/zinc/61/68/56/278616856.db2.gz WQRDLPMOBVMALF-CQSZACIVSA-N 1 0 296.455 2.118 10 0 CEAERO CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)c1ccsc1 ZINC000296539419 288064916 /nfs/dbraw/zinc/06/49/16/288064916.db2.gz SECLMSPSQSOBKO-ADEWGFFLSA-N 1 0 252.383 2.456 10 0 CEAERO CCC[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)C1CCCC1 ZINC000313467923 278872035 /nfs/dbraw/zinc/87/20/35/278872035.db2.gz LXWKEIIIZFVHSW-HUUCEWRRSA-N 1 0 254.418 2.266 10 0 CEAERO CCC[C@H](C(=O)NC[C@@H]1CCOc2ccccc21)[NH+](C)C ZINC000154172091 278921729 /nfs/dbraw/zinc/92/17/29/278921729.db2.gz BSRSZEUEENFBBO-DZGCQCFKSA-N 1 0 290.407 2.399 10 0 CEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1CCc2c1cccc2F ZINC000282048616 279028679 /nfs/dbraw/zinc/02/86/79/279028679.db2.gz AYCGAHJMUKLUJR-CUOATXAZSA-N 1 0 262.328 2.070 10 0 CEAERO Cc1nc(CN2C[C@@H](F)C[C@H]2C[NH2+]C2CCCCC2)no1 ZINC000329984774 279084012 /nfs/dbraw/zinc/08/40/12/279084012.db2.gz CPGCIPQMTCNFQD-JSGCOSHPSA-N 1 0 296.390 2.213 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1Cc1cccc2c1OC(C)(C)C2 ZINC000261583693 279114599 /nfs/dbraw/zinc/11/45/99/279114599.db2.gz HKURSDREYSPYFN-BXUZGUMPSA-N 1 0 260.381 2.322 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC[C@H](C)C1 ZINC000121653407 279124192 /nfs/dbraw/zinc/12/41/92/279124192.db2.gz SSPOUWDEHIJSMK-UONOGXRCSA-N 1 0 269.433 2.404 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc(C(C)C)n(C)n1 ZINC000174134045 279131995 /nfs/dbraw/zinc/13/19/95/279131995.db2.gz KULPWWTVWMIIOF-CYBMUJFWSA-N 1 0 294.443 2.250 10 0 CEAERO C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000282381871 279378751 /nfs/dbraw/zinc/37/87/51/279378751.db2.gz OLGCYPSTNRSLLU-JTNHKYCSSA-N 1 0 264.344 2.013 10 0 CEAERO C[C@@H](NC(=O)C1C[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000091407045 279708811 /nfs/dbraw/zinc/70/88/11/279708811.db2.gz JRUPNNYTUWEEHI-MRVPVSSYSA-N 1 0 272.270 2.102 10 0 CEAERO C[C@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3O)CCN1C ZINC000130253234 280013091 /nfs/dbraw/zinc/01/30/91/280013091.db2.gz OGLVRSYMRSQFKD-YWPYICTPSA-N 1 0 260.381 2.452 10 0 CEAERO CCS(=O)(=O)c1ccccc1N1CCC([C@@H](C)[NH3+])CC1 ZINC000111612658 280033904 /nfs/dbraw/zinc/03/39/04/280033904.db2.gz QLVYRSXLDLEXMC-GFCCVEGCSA-N 1 0 296.436 2.044 10 0 CEAERO C[C@@H](CCc1cccc(F)c1)[N@@H+]1CCCNC(=O)[C@H]1C ZINC000189093697 280142865 /nfs/dbraw/zinc/14/28/65/280142865.db2.gz VLBBHFKYXUIOKI-QWHCGFSZSA-N 1 0 278.371 2.357 10 0 CEAERO CC(C)c1nc2c(n1C)CC[N@H+](CC[C@@H]1CCCO1)C2 ZINC000189228439 280146642 /nfs/dbraw/zinc/14/66/42/280146642.db2.gz FSORBYWGZKUEHS-ZDUSSCGKSA-N 1 0 277.412 2.471 10 0 CEAERO C[C@]1(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)CCCC[NH2+]1 ZINC000136147959 280150349 /nfs/dbraw/zinc/15/03/49/280150349.db2.gz HCJKANFBJOPAKE-CYBMUJFWSA-N 1 0 298.289 2.479 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2C[C@@H](C)CC[C@H]2C)C1 ZINC000245675491 280255711 /nfs/dbraw/zinc/25/57/11/280255711.db2.gz FTOYYESCZGGULK-MJBXVCDLSA-N 1 0 267.417 2.301 10 0 CEAERO CC(C)[C@H](O)CC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000246254687 280283789 /nfs/dbraw/zinc/28/37/89/280283789.db2.gz JWJKCMUDJTUGIN-ZIAGYGMSSA-N 1 0 284.444 2.020 10 0 CEAERO Cc1cccc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c1O ZINC000246487650 280296741 /nfs/dbraw/zinc/29/67/41/280296741.db2.gz QZOSPKCAEAEDDW-TZMCWYRMSA-N 1 0 276.380 2.159 10 0 CEAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)C(C)C)[C@@H](C)C1 ZINC000246577402 280302117 /nfs/dbraw/zinc/30/21/17/280302117.db2.gz ZEJFCCAVHBJMJQ-MJBXVCDLSA-N 1 0 269.433 2.403 10 0 CEAERO Cc1cc(Br)cnc1NCC[C@@H](C)[NH3+] ZINC000086708480 280312411 /nfs/dbraw/zinc/31/24/11/280312411.db2.gz FERYVPHYTUHWDV-MRVPVSSYSA-N 1 0 258.163 2.302 10 0 CEAERO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC[C@H]2c2ccco2)C1 ZINC000247563944 280333725 /nfs/dbraw/zinc/33/37/25/280333725.db2.gz VHPIBLMGZOUKTB-KBPBESRZSA-N 1 0 291.395 2.468 10 0 CEAERO COCCN1CC[N@H+](C[C@@H]2CCCC[C@H]2C)C[C@@H]1C ZINC000248503247 280350945 /nfs/dbraw/zinc/35/09/45/280350945.db2.gz USJGEXKXWOXZNQ-PMPSAXMXSA-N 1 0 268.445 2.465 10 0 CEAERO C[C@H](C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)N1CCOCC1 ZINC000249093041 280383784 /nfs/dbraw/zinc/38/37/84/280383784.db2.gz DUAKGZTZXLTYEG-UPJWGTAASA-N 1 0 294.361 2.418 10 0 CEAERO C[C@@H]1CCC[C@H](NC(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000249138788 280386517 /nfs/dbraw/zinc/38/65/17/280386517.db2.gz XJYBFRVMLMGODK-HZSPNIEDSA-N 1 0 267.417 2.301 10 0 CEAERO CCS[C@@H](C)c1noc(CN(C)C[C@@](C)(O)CC)n1 ZINC000249428444 280396804 /nfs/dbraw/zinc/39/68/04/280396804.db2.gz YPGFCHUXUYXNDT-GWCFXTLKSA-N 1 0 287.429 2.477 10 0 CEAERO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H]1CN(C)CCO1 ZINC000180495660 281078969 /nfs/dbraw/zinc/07/89/69/281078969.db2.gz CCNLBRBOQNWMMC-HOCLYGCPSA-N 1 0 290.407 2.129 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccnc(Cl)c1 ZINC000174968836 288311260 /nfs/dbraw/zinc/31/12/60/288311260.db2.gz SGHQBQWAHAGYMV-QWHCGFSZSA-N 1 0 293.798 2.434 10 0 CEAERO C[C@H]1CC[C@H](NC(=O)N[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000417556637 288856363 /nfs/dbraw/zinc/85/63/63/288856363.db2.gz PCGVYIPVPRPKMR-ZDEQEGDKSA-N 1 0 253.390 2.005 10 0 CEAERO COCCN1CC[N@H+](CCCSCC(C)C)C[C@H]1C ZINC000152609368 289094291 /nfs/dbraw/zinc/09/42/91/289094291.db2.gz JRAOOFMCDPODCF-OAHLLOKOSA-N 1 0 288.501 2.418 10 0 CEAERO CSCCCNC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000157073905 289207628 /nfs/dbraw/zinc/20/76/28/289207628.db2.gz CFCPBCJRUWZRBF-CYBMUJFWSA-N 1 0 287.473 2.159 10 0 CEAERO Cc1cnc(CC[N@@H+](C)C[C@H](O)COC(C)(C)C)s1 ZINC000157833857 289222897 /nfs/dbraw/zinc/22/28/97/289222897.db2.gz XICUTVSOIKTZMR-LBPRGKRZSA-N 1 0 286.441 2.102 10 0 CEAERO C[C@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000184272634 289288054 /nfs/dbraw/zinc/28/80/54/289288054.db2.gz GXXJGUSMICQHFZ-ZFWWWQNUSA-N 1 0 258.365 2.097 10 0 CEAERO C[C@H](C[NH2+][C@@H]1CCC(=O)N[C@H]1C)C1CCCCC1 ZINC000339160463 289691414 /nfs/dbraw/zinc/69/14/14/289691414.db2.gz LYARNALTHFYIQJ-MBNYWOFBSA-N 1 0 252.402 2.460 10 0 CEAERO C[N@@H+]1CC[C@@](O)(c2ccccc2CO)[C@H](c2ccccc2)C1 ZINC000066354573 290184091 /nfs/dbraw/zinc/18/40/91/290184091.db2.gz VEFVMTWOCWGCAI-RBUKOAKNSA-N 1 0 297.398 2.486 10 0 CEAERO Cn1cc([C@H]2C[N@@H+](C3CCC3)CC23CCOCC3)cn1 ZINC000334698251 294299118 /nfs/dbraw/zinc/29/91/18/294299118.db2.gz QTOBNIGRSPBCSR-OAHLLOKOSA-N 1 0 275.396 2.169 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1Nc1ccc(C(F)(F)F)nn1 ZINC000167120916 295249029 /nfs/dbraw/zinc/24/90/29/295249029.db2.gz NBQZJCCSZDRMNI-IUCAKERBSA-N 1 0 274.290 2.425 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)c1cc2ccccc2o1 ZINC000038049100 295333839 /nfs/dbraw/zinc/33/38/39/295333839.db2.gz ISFAEQJHYJUKIJ-NWDGAFQWSA-N 1 0 258.321 2.433 10 0 CEAERO CC(=O)Nc1ccc(N[C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000570036593 314024001 /nfs/dbraw/zinc/02/40/01/314024001.db2.gz NOEHCPWHNNPJHD-YPMHNXCESA-N 1 0 261.369 2.445 10 0 CEAERO O[C@H](C[NH2+]C1CCC2(CC2)CC1)COCc1ccco1 ZINC000570955688 314066626 /nfs/dbraw/zinc/06/66/26/314066626.db2.gz VXOHUAZSIWPIDV-CQSZACIVSA-N 1 0 279.380 2.470 10 0 CEAERO [NH3+]CCCCC(=O)N1CCCC[C@H]1c1nccs1 ZINC000576036342 314235338 /nfs/dbraw/zinc/23/53/38/314235338.db2.gz PRZFOTZSJGWZNN-NSHDSACASA-N 1 0 267.398 2.326 10 0 CEAERO FC(F)c1nnc(N2CC[C@]3(C2)CCC[NH2+]C3)s1 ZINC000577085820 314340841 /nfs/dbraw/zinc/34/08/41/314340841.db2.gz FSEZOXGFDKOQQH-LLVKDONJSA-N 1 0 274.340 2.056 10 0 CEAERO CCN(CCC[NH+](C)C)C(=O)N[C@H](C)C(C)(C)C ZINC000189588569 321776869 /nfs/dbraw/zinc/77/68/69/321776869.db2.gz HZWMCIKHCNHKDY-GFCCVEGCSA-N 1 0 257.422 2.404 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H](Nc2ccc(OC(F)F)cn2)C1 ZINC000382458274 321840044 /nfs/dbraw/zinc/84/00/44/321840044.db2.gz SEMWQOGWUITQOX-RKDXNWHRSA-N 1 0 257.284 2.365 10 0 CEAERO Cc1nnsc1CN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000384242517 321850930 /nfs/dbraw/zinc/85/09/30/321850930.db2.gz JMQPDKHDKQWLTG-PWSUYJOCSA-N 1 0 268.430 2.247 10 0 CEAERO CC(C)Cc1nnc(NC(=O)[C@H]2CCC[NH2+][C@@H]2C)s1 ZINC000384445318 321852427 /nfs/dbraw/zinc/85/24/27/321852427.db2.gz GXFGEWCIDMEFJH-ZJUUUORDSA-N 1 0 282.413 2.063 10 0 CEAERO C[C@@H]1CC[NH2+]C[C@H]1Nc1ccc(OC(F)F)cn1 ZINC000389738609 321892061 /nfs/dbraw/zinc/89/20/61/321892061.db2.gz WUYVNIQTVQVESW-PSASIEDQSA-N 1 0 257.284 2.093 10 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297.468 2.368 10 0 CEAERO CC(C)C[NH2+]C[C@@]1(CC2CCOCC2)CCOC1 ZINC000054666054 519745633 /nfs/dbraw/zinc/74/56/33/519745633.db2.gz CZVGFLYZFCYAFH-HNNXBMFYSA-N 1 0 255.402 2.455 10 0 CEAERO CC(C)[C@@H](C)C(=O)Nc1ccccc1OCC[NH3+] ZINC000070121807 519790063 /nfs/dbraw/zinc/79/00/63/519790063.db2.gz XTWLWYFFGXRNJP-LLVKDONJSA-N 1 0 250.342 2.255 10 0 CEAERO CCC1CCN(C(=O)[C@@H]2CCC[C@H](C)[C@@H]2[NH3+])CC1 ZINC000055134683 519858505 /nfs/dbraw/zinc/85/85/05/519858505.db2.gz SCUWIAPSSMELFR-YUTCNCBUSA-N 1 0 252.402 2.399 10 0 CEAERO CCCC1(C(=O)NCCCOCC(C)C)CC[NH2+]CC1 ZINC000062848036 519887609 /nfs/dbraw/zinc/88/76/09/519887609.db2.gz DFHDJVZJUCANEC-UHFFFAOYSA-N 1 0 284.444 2.335 10 0 CEAERO CCOCCC[NH2+]C[C@H](C)Oc1ccc(OC)cc1 ZINC000053567254 519896898 /nfs/dbraw/zinc/89/68/98/519896898.db2.gz RZBLATCGLJUPHH-ZDUSSCGKSA-N 1 0 267.369 2.479 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1nc2c(s1)CCCC2 ZINC000061299088 519908218 /nfs/dbraw/zinc/90/82/18/519908218.db2.gz UNLGJHJCBJLLRG-UHFFFAOYSA-N 1 0 267.398 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CC[NH2+]C[C@@H](C)C(=O)N[C@H]1CCCc2occc21 ZINC000061267244 519939586 /nfs/dbraw/zinc/93/95/86/519939586.db2.gz MMUFZJTWSSBABY-PWSUYJOCSA-N 1 0 250.342 2.019 10 0 CEAERO CCC[NH2+]Cc1c(C)nn(C[C@H]2CCOC2)c1C ZINC000054717418 519942325 /nfs/dbraw/zinc/94/23/25/519942325.db2.gz WNLQCWGEEKJFDZ-CYBMUJFWSA-N 1 0 251.374 2.036 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccccc1N1CCCC1 ZINC000061231327 519942852 /nfs/dbraw/zinc/94/28/52/519942852.db2.gz QEEQHKLGAHGAEJ-CYBMUJFWSA-N 1 0 275.396 2.471 10 0 CEAERO CCC[NH2+]Cc1cc(C)c(O[C@@H](CC)C(N)=O)c(C)c1 ZINC000061675688 519946262 /nfs/dbraw/zinc/94/62/62/519946262.db2.gz SRWQEWFCTPVFLQ-AWEZNQCLSA-N 1 0 278.396 2.446 10 0 CEAERO CCC[NH2+]Cc1cc(OC)ccc1OCCC(=O)OC ZINC000069316838 519946983 /nfs/dbraw/zinc/94/69/83/519946983.db2.gz XVZOOWKEHNRJJT-UHFFFAOYSA-N 1 0 281.352 2.137 10 0 CEAERO CCC[NH2+]Cc1ccc(OC)c(OCCC(=O)OC)c1 ZINC000069316989 519950346 /nfs/dbraw/zinc/95/03/46/519950346.db2.gz LIYNUEKGZXBDAX-UHFFFAOYSA-N 1 0 281.352 2.137 10 0 CEAERO CC[NH2+]C[C@@H]1C[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000054590590 519955605 /nfs/dbraw/zinc/95/56/05/519955605.db2.gz SIAHIQMAJRAIOZ-JQWIXIFHSA-N 1 0 265.353 2.425 10 0 CEAERO CC[NH2+]C[C@@H]1CC[C@H](COc2ccc(CCOC)cc2)O1 ZINC000052699520 519955672 /nfs/dbraw/zinc/95/56/72/519955672.db2.gz OQZCQFWMORWFEA-DLBZAZTESA-N 1 0 293.407 2.411 10 0 CEAERO CC[NH2+]C[C@H](C(C)C)n1cc(Br)cn1 ZINC000052577656 519957359 /nfs/dbraw/zinc/95/73/59/519957359.db2.gz SJWRWYJKAHOHPN-SNVBAGLBSA-N 1 0 260.179 2.452 10 0 CEAERO CCC[NH2+]Cc1ccoc1CN1C[C@@H](C)OC[C@@H]1C ZINC000052476364 519959525 /nfs/dbraw/zinc/95/95/25/519959525.db2.gz FZQYLFQFJQPUPL-QWHCGFSZSA-N 1 0 266.385 2.388 10 0 CEAERO CC(C)n1cc(NC(=O)CC[C@@H]2CCCC[NH2+]2)cn1 ZINC000061683559 519962057 /nfs/dbraw/zinc/96/20/57/519962057.db2.gz UGFWVWRVTXGMPC-LBPRGKRZSA-N 1 0 264.373 2.325 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N[C@H](C)COc1ccc(C)cc1 ZINC000061266901 519965166 /nfs/dbraw/zinc/96/51/66/519965166.db2.gz RREOIRHBDGUBCY-UONOGXRCSA-N 1 0 278.396 2.124 10 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CC[NH2+]Cc1cc(C)nc(Cc2cccc(OC)c2)n1 ZINC000054831111 519986949 /nfs/dbraw/zinc/98/69/49/519986949.db2.gz GEXQYRBQGAAIJI-UHFFFAOYSA-N 1 0 271.364 2.494 10 0 CEAERO CCC[NH2+][C@@H](C)[C@H]1CCCN(c2ccnc(N(C)C)n2)C1 ZINC000068689904 519987372 /nfs/dbraw/zinc/98/73/72/519987372.db2.gz IYFOKJGICOKEFX-KBPBESRZSA-N 1 0 291.443 2.147 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccc(OC[C@H](O)COC)c(OC)c1 ZINC000069053536 519989071 /nfs/dbraw/zinc/98/90/71/519989071.db2.gz DOPHUVIJHVGYRV-GXTWGEPZSA-N 1 0 297.395 2.142 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccccc1O[C@H](CC)C(N)=O ZINC000061675840 519990969 /nfs/dbraw/zinc/99/09/69/519990969.db2.gz UMSREFSHGUFPRX-WCQYABFASA-N 1 0 264.369 2.390 10 0 CEAERO CC[NH2+]Cc1ccc(Cn2cc(Br)cn2)o1 ZINC000052577443 519997903 /nfs/dbraw/zinc/99/79/03/519997903.db2.gz CQHUJZZARMVKLO-UHFFFAOYSA-N 1 0 284.157 2.396 10 0 CEAERO CC[NH2+]Cc1cccc(CN2CCO[C@@H](CC)C2)c1 ZINC000052476986 520004670 /nfs/dbraw/zinc/00/46/70/520004670.db2.gz SXYQAXHIWJGLIG-INIZCTEOSA-N 1 0 262.397 2.407 10 0 CEAERO CCOCCOCc1csc(C[NH2+]CC(C)C)n1 ZINC000052603974 520004823 /nfs/dbraw/zinc/00/48/23/520004823.db2.gz ARDWSTPFVPXRHK-UHFFFAOYSA-N 1 0 272.414 2.442 10 0 CEAERO CC[NH2+]Cc1cccc(N2CCC[C@@H](OCC)C2)n1 ZINC000051521200 520004999 /nfs/dbraw/zinc/00/49/99/520004999.db2.gz RABXPQXEDJQIJE-CQSZACIVSA-N 1 0 263.385 2.196 10 0 CEAERO CCC[NH2+][C@@H](c1ccc(OC)cc1)[C@H]1COCCO1 ZINC000055300433 520018173 /nfs/dbraw/zinc/01/81/73/520018173.db2.gz XTELAPXCQLWKCD-CABCVRRESA-N 1 0 265.353 2.151 10 0 CEAERO CCC[NH2+][C@@H](c1ccc2c(c1)oc(=O)n2C)[C@H]1CCOC1 ZINC000051362305 520018352 /nfs/dbraw/zinc/01/83/52/520018352.db2.gz GAEBDAIGZSBPMJ-WFASDCNBSA-N 1 0 290.363 2.209 10 0 CEAERO CC[NH2+]Cc1cnn([C@@H]2CCCCC[C@H]2O)c1C ZINC000054600497 520018614 /nfs/dbraw/zinc/01/86/14/520018614.db2.gz GLKDJPPJGSBCPT-ZIAGYGMSSA-N 1 0 251.374 2.167 10 0 CEAERO CC[NH2+]Cc1nc(Cn2cnc(C)c2C)cs1 ZINC000052593865 520020166 /nfs/dbraw/zinc/02/01/66/520020166.db2.gz XANSPOPAMJLLCR-UHFFFAOYSA-N 1 0 250.371 2.114 10 0 CEAERO CC[NH2+]Cc1nc(C(C)C)ncc1N(CCOC)C1CC1 ZINC000051487071 520020961 /nfs/dbraw/zinc/02/09/61/520020961.db2.gz DAKGGBCRUGHRPP-UHFFFAOYSA-N 1 0 292.427 2.325 10 0 CEAERO CCC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1S(C)(=O)=O ZINC000054930148 520025648 /nfs/dbraw/zinc/02/56/48/520025648.db2.gz GVWWCJYOYGPZHE-UPJWGTAASA-N 1 0 261.431 2.224 10 0 CEAERO CC[NH2+]Cc1nnnn1[C@@H](C)c1ccccc1Cl ZINC000054747797 520028712 /nfs/dbraw/zinc/02/87/12/520028712.db2.gz WHIBEXWPDAEPBU-VIFPVBQESA-N 1 0 265.748 2.045 10 0 CEAERO CCC[NH2+][C@@](C)(CCCN(C)c1cccc(F)c1)C(N)=O ZINC000050008167 520034491 /nfs/dbraw/zinc/03/44/91/520034491.db2.gz XUEFXCGMJFQEDE-INIZCTEOSA-N 1 0 295.402 2.286 10 0 CEAERO CCC[NH2+][C@@](C)(CCO[C@H]1CCCC[C@@H]1C)C(N)=O ZINC000045477705 520036057 /nfs/dbraw/zinc/03/60/57/520036057.db2.gz IYXBLBCKFGLDDH-YDHLFZDLSA-N 1 0 270.417 2.215 10 0 CEAERO CCN(C(=O)c1cc(C)ccc1OC)C1CC[NH2+]CC1 ZINC000052943814 520062863 /nfs/dbraw/zinc/06/28/63/520062863.db2.gz YWQSNACVYFRTTD-UHFFFAOYSA-N 1 0 276.380 2.218 10 0 CEAERO CCC[NH2+][C@H](C)[C@H]1CCCCN1C1CCOCC1 ZINC000069288352 520064488 /nfs/dbraw/zinc/06/44/88/520064488.db2.gz NZKSXJNBJLGWDM-UKRRQHHQSA-N 1 0 254.418 2.408 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)NCc1cccc(Cl)c1 ZINC000061269596 520065581 /nfs/dbraw/zinc/06/55/81/520065581.db2.gz PKOAIBXIMDSLON-JTQLQIEISA-N 1 0 254.761 2.344 10 0 CEAERO CCC[NH2+][C@H](C)c1cccc(NC(=O)N2CC[C@@H](O)C2)c1 ZINC000061713713 520065761 /nfs/dbraw/zinc/06/57/61/520065761.db2.gz RIVGGCIAKVXTGW-IUODEOHRSA-N 1 0 291.395 2.346 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1cc2c(cc1F)CCC(=O)N2 ZINC000061270962 520068523 /nfs/dbraw/zinc/06/85/23/520068523.db2.gz RPBPTUKCWBBECI-VIFPVBQESA-N 1 0 293.342 2.037 10 0 CEAERO CC[NH2+][C@@H](C)Cc1nc2cc(Br)cnc2[nH]1 ZINC000061181985 520072023 /nfs/dbraw/zinc/07/20/23/520072023.db2.gz UHTMTDVTHMBEPB-ZETCQYMHSA-N 1 0 283.173 2.261 10 0 CEAERO CC[NH2+][C@@H](C)CCc1ccc(OC[C@H](O)COCC)cc1 ZINC000069275336 520073253 /nfs/dbraw/zinc/07/32/53/520073253.db2.gz SOTRDWXEMPQXGX-GOEBONIOSA-N 1 0 295.423 2.393 10 0 CEAERO CC[NH2+][C@@H](C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000063032768 520075113 /nfs/dbraw/zinc/07/51/13/520075113.db2.gz AZTWODRFJLIJOV-QWRGUYRKSA-N 1 0 255.383 2.192 10 0 CEAERO CC[NH2+][C@@H](C)c1nnc(-c2ccc(OC)c(OC)c2)o1 ZINC000050618707 520080053 /nfs/dbraw/zinc/08/00/53/520080053.db2.gz DWQZCJBWFZDVNG-VIFPVBQESA-N 1 0 277.324 2.424 10 0 CEAERO CC[NH2+][C@@H](C)c1cnc(N(CC)CCOC)s1 ZINC000054908263 520080167 /nfs/dbraw/zinc/08/01/67/520080167.db2.gz RSIYPIMHUMESDY-JTQLQIEISA-N 1 0 257.403 2.286 10 0 CEAERO CC[NH2+][C@@H](CC1CC1)c1ccc2c(c1)n(C)c(=O)n2C ZINC000051392567 520084243 /nfs/dbraw/zinc/08/42/43/520084243.db2.gz HLXMCXHBEPCTMY-ZDUSSCGKSA-N 1 0 273.380 2.328 10 0 CEAERO CCC[NH2+][C@H](c1ccc(OC)c(C)c1)[C@H]1COCCO1 ZINC000055300745 520089996 /nfs/dbraw/zinc/08/99/96/520089996.db2.gz JRCSIKFGQYOOGW-HZPDHXFCSA-N 1 0 279.380 2.460 10 0 CEAERO CCC[NH2+][C@H]1CCN([C@@H]2CCc3ccccc3C2)C1=O ZINC000051631939 520095589 /nfs/dbraw/zinc/09/55/89/520095589.db2.gz KUJTVBVWJOANPA-CVEARBPZSA-N 1 0 272.392 2.144 10 0 CEAERO CC[NH2+][C@@H](CS(C)(=O)=O)c1cccc(C(F)(F)F)c1 ZINC000054930390 520102582 /nfs/dbraw/zinc/10/25/82/520102582.db2.gz MKIZTLQDOYYWFP-NSHDSACASA-N 1 0 295.326 2.401 10 0 CEAERO CCC[NH2+][C@](C)(C[C@@H](C)Oc1ccccc1C)C(N)=O ZINC000068656382 520111564 /nfs/dbraw/zinc/11/15/64/520111564.db2.gz WOOHOQOWGTYLJB-CZUORRHYSA-N 1 0 278.396 2.396 10 0 CEAERO CC[NH2+][C@@H]1CCN(Cc2ccc(Cl)cc2)C1=O ZINC000049648582 520118759 /nfs/dbraw/zinc/11/87/59/520118759.db2.gz GGYCZEDSAYWDAL-GFCCVEGCSA-N 1 0 252.745 2.050 10 0 CEAERO CCCN[C@](C[N@@H+]1CCCC(C)(C)C1)(C(=O)OC)C1CC1 ZINC000069517021 520120830 /nfs/dbraw/zinc/12/08/30/520120830.db2.gz IDPGSWDPVRNJOI-KRWDZBQOSA-N 1 0 296.455 2.430 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2C[C@H]1Cc1cnn(C)c1 ZINC000050540786 520126891 /nfs/dbraw/zinc/12/68/91/520126891.db2.gz SDRBBYADEVHNMZ-ZBFHGGJFSA-N 1 0 255.365 2.486 10 0 CEAERO CC[NH2+][C@@](C)(CCC[N@H+](C)C(C)(C)CC)C(=O)[O-] ZINC000069446692 520130235 /nfs/dbraw/zinc/13/02/35/520130235.db2.gz GIHVXUITKCBINC-AWEZNQCLSA-N 1 0 258.406 2.340 10 0 CEAERO CCN[C@@](C)(CCC[N@@H+]1CCCC(C)(C)C1)C(=O)OC ZINC000069516658 520132942 /nfs/dbraw/zinc/13/29/42/520132942.db2.gz XZXWJTXGVZLMCV-INIZCTEOSA-N 1 0 284.444 2.430 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N1CCC[C@H]1c1cc(C)no1 ZINC000061272577 520164603 /nfs/dbraw/zinc/16/46/03/520164603.db2.gz PAHURJSLXUQPPC-PWSUYJOCSA-N 1 0 265.357 2.035 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1cc(F)c(F)c(F)c1 ZINC000061274871 520168349 /nfs/dbraw/zinc/16/83/49/520168349.db2.gz RNHMVQIQUFFLEJ-SSDOTTSWSA-N 1 0 260.259 2.431 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1cc(NC(C)=O)ccc1F ZINC000061270176 520168628 /nfs/dbraw/zinc/16/86/28/520168628.db2.gz UPGFFVPBYLFDLF-SECBINFHSA-N 1 0 281.331 2.111 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1ccc(N2CCCC2)nc1 ZINC000061270564 520169946 /nfs/dbraw/zinc/16/99/46/520169946.db2.gz OFQHGZJHGJXZKJ-GFCCVEGCSA-N 1 0 276.384 2.008 10 0 CEAERO CCCCC[N@H+](C[C@@](NC)(C(=O)OC)C1CC1)C(C)C ZINC000069132328 520173560 /nfs/dbraw/zinc/17/35/60/520173560.db2.gz GWCMWMAXFKGTBY-INIZCTEOSA-N 1 0 284.444 2.428 10 0 CEAERO CCCCC[N@H+](CC[C@@H](N)C(=O)OCC)C(C)C ZINC000062463327 520173638 /nfs/dbraw/zinc/17/36/38/520173638.db2.gz IZTBROPSPPSOON-CYBMUJFWSA-N 1 0 258.406 2.168 10 0 CEAERO CCCNc1ncccc1CN1CC[NH+](C(C)C)CC1 ZINC000052721149 520197220 /nfs/dbraw/zinc/19/72/20/520197220.db2.gz GGKUHHBIBYHDDR-UHFFFAOYSA-N 1 0 276.428 2.430 10 0 CEAERO CC[NH2+][C@H](COc1ccc2c(c1)CCC(=O)N2)C1CC1 ZINC000069080594 520200393 /nfs/dbraw/zinc/20/03/93/520200393.db2.gz LFJOBPJMDKFCFS-OAHLLOKOSA-N 1 0 274.364 2.338 10 0 CEAERO CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1N1CCOCC1 ZINC000054554571 520217364 /nfs/dbraw/zinc/21/73/64/520217364.db2.gz MNBZXXVVVYDTPB-ILXRZTDVSA-N 1 0 254.418 2.121 10 0 CEAERO CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1CN1CCOC[C@@H]1C ZINC000053866526 520219580 /nfs/dbraw/zinc/21/95/80/520219580.db2.gz XAYWLJQGGYUVBM-XQLPTFJDSA-N 1 0 254.418 2.121 10 0 CEAERO CC[NH2+][C@H]1COc2cc(OC3CCOCC3)ccc21 ZINC000069289595 520221959 /nfs/dbraw/zinc/22/19/59/520221959.db2.gz AYAVQTKZKYENGZ-AWEZNQCLSA-N 1 0 263.337 2.287 10 0 CEAERO CC[NH2+][C@H]1COc2cc(O[C@@H](C)C(=O)NC(C)C)ccc21 ZINC000062804846 520221992 /nfs/dbraw/zinc/22/19/92/520221992.db2.gz IVCXPPOILIHSJE-FZMZJTMJSA-N 1 0 292.379 2.022 10 0 CEAERO CCN[C@](C[N@H+]1C[C@H](C)C[C@H](C)C1)(C(=O)OCC)C1CC1 ZINC000069091894 520249476 /nfs/dbraw/zinc/24/94/76/520249476.db2.gz LFCWWWNDRMMUTF-VBQJREDUSA-N 1 0 296.455 2.286 10 0 CEAERO CCNc1ccc(C(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000050754638 520283605 /nfs/dbraw/zinc/28/36/05/520283605.db2.gz XRZIZUODLYVZBM-UHFFFAOYSA-N 1 0 275.396 2.285 10 0 CEAERO CCNc1ccc(C(=O)NCC(C)(C)[NH+](C)C)cc1 ZINC000050790656 520286528 /nfs/dbraw/zinc/28/65/28/520286528.db2.gz DEROCPOQQNNFHT-UHFFFAOYSA-N 1 0 263.385 2.188 10 0 CEAERO CCCO[C@H]1CCCN(Cc2[nH+]c(NN)ccc2Cl)C1 ZINC000061638721 520286454 /nfs/dbraw/zinc/28/64/54/520286454.db2.gz CXSFOUHPWPHVEL-NSHDSACASA-N 1 0 298.818 2.412 10 0 CEAERO CCCCC[C@@H](C)NC(=O)c1cc[nH+]c(NN)c1 ZINC000051125138 520287047 /nfs/dbraw/zinc/28/70/47/520287047.db2.gz ILRVIFNLAVLMSY-SNVBAGLBSA-N 1 0 250.346 2.066 10 0 CEAERO CCN(C1(C[NH3+])CCCC1)S(=O)(=O)c1ccc(C)cc1 ZINC000050093155 520293141 /nfs/dbraw/zinc/29/31/41/520293141.db2.gz NTPVGNPAMDMYLP-UHFFFAOYSA-N 1 0 296.436 2.277 10 0 CEAERO CCO[C@@H](C[NH3+])CN(C)Cc1cccc(Cl)c1 ZINC000062739650 520309190 /nfs/dbraw/zinc/30/91/90/520309190.db2.gz HIRQANSUCYEBHM-ZDUSSCGKSA-N 1 0 256.777 2.136 10 0 CEAERO CCNc1cccc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)n1 ZINC000051072443 520335062 /nfs/dbraw/zinc/33/50/62/520335062.db2.gz KNVPJOAZKTWVTF-ZDUSSCGKSA-N 1 0 290.411 2.118 10 0 CEAERO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[C@@H]([NH3+])[C@@H]1C ZINC000055137050 520417585 /nfs/dbraw/zinc/41/75/85/520417585.db2.gz BTEKTXHEFNTIBB-OPRDCNLKSA-N 1 0 266.307 2.161 10 0 CEAERO CCNc1ncccc1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000050718749 520374248 /nfs/dbraw/zinc/37/42/48/520374248.db2.gz IRFJHMIKOFWBJT-UHFFFAOYSA-N 1 0 292.427 2.362 10 0 CEAERO CCCOc1cccc(C(=O)N[C@@H](CC)CC[NH3+])c1 ZINC000061667257 520445035 /nfs/dbraw/zinc/44/50/35/520445035.db2.gz RXQUAYMREYZVLS-ZDUSSCGKSA-N 1 0 264.369 2.333 10 0 CEAERO CCCOc1cccc(C[C@@H](C[NH3+])C(=O)NC(C)C)c1 ZINC000052920855 520456963 /nfs/dbraw/zinc/45/69/63/520456963.db2.gz RZRXBKSNUSZSGH-AWEZNQCLSA-N 1 0 278.396 2.117 10 0 CEAERO CCCOc1cccc([C@H]([NH2+][C@H](C)CC)C(N)=O)c1 ZINC000052921489 520468982 /nfs/dbraw/zinc/46/89/82/520468982.db2.gz KVFJVCHQBLBFTH-RISCZKNCSA-N 1 0 264.369 2.390 10 0 CEAERO CCCC[N@H+](CC)CC[C@H](NC1CC1)C(=O)OCC ZINC000062438239 520474957 /nfs/dbraw/zinc/47/49/57/520474957.db2.gz LSEQPVKZDQOBTF-AWEZNQCLSA-N 1 0 270.417 2.182 10 0 CEAERO CCCOc1ccccc1OC[C@@H](C[NH3+])OCC ZINC000062740262 520484393 /nfs/dbraw/zinc/48/43/93/520484393.db2.gz OJIUYDHEUJZEEN-GFCCVEGCSA-N 1 0 253.342 2.218 10 0 CEAERO CC1(C)CN([C@@H](C[NH3+])CCc2ccccc2)CCO1 ZINC000061624700 520492367 /nfs/dbraw/zinc/49/23/67/520492367.db2.gz NHANFHYQPQJDRG-OAHLLOKOSA-N 1 0 262.397 2.057 10 0 CEAERO CCCC[NH+](CCCC)CC[C@@H]([NH2+]CC)C(=O)[O-] ZINC000062444455 520493646 /nfs/dbraw/zinc/49/36/46/520493646.db2.gz AFSJKKBJPMSJGD-CYBMUJFWSA-N 1 0 258.406 2.341 10 0 CEAERO CC1(C)CN(c2nc3c(s2)[C@@H]([NH3+])CCC3)CCO1 ZINC000054895960 520494215 /nfs/dbraw/zinc/49/42/15/520494215.db2.gz NLNUKCNWOHKVCY-VIFPVBQESA-N 1 0 267.398 2.094 10 0 CEAERO CC1(C)CN(c2ccc(C(N)=[NH2+])cc2Cl)CCO1 ZINC000062794044 520494287 /nfs/dbraw/zinc/49/42/87/520494287.db2.gz HZYVPHJKQNIVID-UHFFFAOYSA-N 1 0 267.760 2.239 10 0 CEAERO CCO[C@H](C[NH3+])CSc1ncnc2ccccc21 ZINC000062740639 520520030 /nfs/dbraw/zinc/52/00/30/520520030.db2.gz KFSYFIATAALYGH-SNVBAGLBSA-N 1 0 263.366 2.086 10 0 CEAERO CCCCN(CCO)c1ccccc1C[NH2+]CCOC ZINC000062737237 520528117 /nfs/dbraw/zinc/52/81/17/520528117.db2.gz CNWSNYUHXBOBTO-UHFFFAOYSA-N 1 0 280.412 2.021 10 0 CEAERO CCN(CC)C(=O)[C@H](C)Oc1cccc2c1CC[C@@H]2[NH3+] ZINC000062798747 520535590 /nfs/dbraw/zinc/53/55/90/520535590.db2.gz AEZNUMZNTFBSCO-FZMZJTMJSA-N 1 0 276.380 2.268 10 0 CEAERO CCCC[N@H+](C[C@](NC)(C(=O)OCC)C1CC1)C1CC1 ZINC000069131819 520540951 /nfs/dbraw/zinc/54/09/51/520540951.db2.gz FFXRQIBJTYOZLD-MRXNPFEDSA-N 1 0 282.428 2.182 10 0 CEAERO CCCC[N@H+](C[C@@](NCC)(C(=O)OC)C1CC1)C1CC1 ZINC000069131838 520541082 /nfs/dbraw/zinc/54/10/82/520541082.db2.gz ZNBSMGAMMBRNIX-INIZCTEOSA-N 1 0 282.428 2.182 10 0 CEAERO CC[NH+](CC)CCCNC(=O)c1nc(NC)ccc1Cl ZINC000050728691 520620926 /nfs/dbraw/zinc/62/09/26/520620926.db2.gz RZNWKKWTRJXOCF-UHFFFAOYSA-N 1 0 298.818 2.238 10 0 CEAERO CCCC[NH2+]CC(=O)NCc1ccc(OC(C)C)cc1 ZINC000066213970 520692437 /nfs/dbraw/zinc/69/24/37/520692437.db2.gz CWELQKYZJLAIAW-UHFFFAOYSA-N 1 0 278.396 2.480 10 0 CEAERO CCOC(=O)CC[C@H]([NH3+])Cc1cc(F)ccc1F ZINC000069605848 520713733 /nfs/dbraw/zinc/71/37/33/520713733.db2.gz QQHHNGWGKPFFLW-NSHDSACASA-N 1 0 257.280 2.178 10 0 CEAERO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(NC)cc2)C1 ZINC000062984868 520844161 /nfs/dbraw/zinc/84/41/61/520844161.db2.gz OZXDZALYWDTQCT-OAHLLOKOSA-N 1 0 275.396 2.285 10 0 CEAERO CCC[C@@]1(C(=O)N(Cc2cccnc2)C2CC2)CC[NH2+]C1 ZINC000062894706 520941152 /nfs/dbraw/zinc/94/11/52/520941152.db2.gz PMWBKEPGMLMQFL-QGZVFWFLSA-N 1 0 287.407 2.352 10 0 CEAERO CCC[C@@]1(C(=O)Nc2ccc3n[nH]cc3c2)CC[NH2+]C1 ZINC000062892448 520944140 /nfs/dbraw/zinc/94/41/40/520944140.db2.gz BIMJOUSFKGZITL-OAHLLOKOSA-N 1 0 272.352 2.281 10 0 CEAERO CCN(CC1CC1)C(=O)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000069238252 520952373 /nfs/dbraw/zinc/95/23/73/520952373.db2.gz IMVMFQLOMILHMW-HZSPNIEDSA-N 1 0 250.386 2.166 10 0 CEAERO CC1CCC(NC(=O)c2c[nH+]c(NN)c(Cl)c2)CC1 ZINC000051093269 520952731 /nfs/dbraw/zinc/95/27/31/520952731.db2.gz CINJKYSGEKYOSC-UHFFFAOYSA-N 1 0 282.775 2.329 10 0 CEAERO CC1CCC2(CC1)NC(=O)N(CCC[C@@H]1CCC[NH2+]1)C2=O ZINC000052764782 520965472 /nfs/dbraw/zinc/96/54/72/520965472.db2.gz NBCIGAPXLFTCGP-UYJPIKCFSA-N 1 0 293.411 2.019 10 0 CEAERO CCCC[C@@H](C)NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000050889063 521006069 /nfs/dbraw/zinc/00/60/69/521006069.db2.gz WJAUQDCCYBHXHY-IUODEOHRSA-N 1 0 260.381 2.396 10 0 CEAERO CCCC[C@@H](C)[NH2+][C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000050887993 521010950 /nfs/dbraw/zinc/01/09/50/521010950.db2.gz HBIUIPRYRAAHBI-TZMCWYRMSA-N 1 0 274.364 2.487 10 0 CEAERO CCOc1ccc(Cl)cc1NC(=O)[C@H]([NH3+])CCOC ZINC000052808160 521014905 /nfs/dbraw/zinc/01/49/05/521014905.db2.gz PGONGQPBEQJXOC-SNVBAGLBSA-N 1 0 286.759 2.041 10 0 CEAERO CCC[C@H](C)[N@H+](C)Cc1cccnc1C(N)=S ZINC000061659750 521036463 /nfs/dbraw/zinc/03/64/63/521036463.db2.gz DXGYYXIQWZHPRM-JTQLQIEISA-N 1 0 251.399 2.336 10 0 CEAERO CCCC[C@@H]([NH3+])C(=O)Nc1ccccc1[C@@H](C)O ZINC000049547479 521074206 /nfs/dbraw/zinc/07/42/06/521074206.db2.gz XOVMPUIWPKVCQP-ZYHUDNBSSA-N 1 0 250.342 2.196 10 0 CEAERO CCC[C@H]([NH3+])[C@@H](CC)S(=O)(=O)c1ccccc1 ZINC000061702546 521122005 /nfs/dbraw/zinc/12/20/05/521122005.db2.gz WBHOZLYUJJXKGL-QWHCGFSZSA-N 1 0 255.383 2.366 10 0 CEAERO CCN(CCO)c1ccccc1C[NH2+]CC(C)C ZINC000062736455 521123753 /nfs/dbraw/zinc/12/37/53/521123753.db2.gz KJORIPCTVGNDKS-UHFFFAOYSA-N 1 0 250.386 2.251 10 0 CEAERO CCCC[C@@](CC)(C[NH2+]C)[C@@H]1CCS(=O)(=O)C1 ZINC000054657749 521124283 /nfs/dbraw/zinc/12/42/83/521124283.db2.gz NJUUHNVXBBOFDJ-OLZOCXBDSA-N 1 0 261.431 2.227 10 0 CEAERO CCCC[C@H](C)[NH2+]Cc1c(OC)ncnc1OC ZINC000050887358 521148897 /nfs/dbraw/zinc/14/88/97/521148897.db2.gz DLLFSKLWFCPIRA-JTQLQIEISA-N 1 0 253.346 2.162 10 0 CEAERO CCOC(=O)[C@@](C)(C[C@@H](C)[NH+]1Cc2ccccc2C1)NC ZINC000068642052 521151448 /nfs/dbraw/zinc/15/14/48/521151448.db2.gz HNJQLIXOJOYQNZ-CXAGYDPISA-N 1 0 290.407 2.322 10 0 CEAERO CCOC(=O)[C@@](C[N@H+](C)C1CCCC1)(NC1CC1)C1CC1 ZINC000069097413 521164555 /nfs/dbraw/zinc/16/45/55/521164555.db2.gz ZNGLLNNYWVLZCD-KRWDZBQOSA-N 1 0 294.439 2.325 10 0 CEAERO CCOC(=O)[C@@]1(N2CCC[NH2+]CC2)CC[C@@H](C)C[C@@H]1C ZINC000068631393 521183608 /nfs/dbraw/zinc/18/36/08/521183608.db2.gz XUBLNEDIYCQAIF-IJEWVQPXSA-N 1 0 282.428 2.040 10 0 CEAERO CCC[C@H](O)[C@H](CC)[NH+]1CCN([C@@H](C)CC)CC1 ZINC000055069601 521191600 /nfs/dbraw/zinc/19/16/00/521191600.db2.gz GYQGKPKBUFRFNE-KKUMJFAQSA-N 1 0 256.434 2.342 10 0 CEAERO CCC[C@H]1CN(Cc2ncc(C)c(OC)c2C)CC[NH2+]1 ZINC000068692494 521220191 /nfs/dbraw/zinc/22/01/91/521220191.db2.gz WHFOGZXOXQDHAL-AWEZNQCLSA-N 1 0 277.412 2.281 10 0 CEAERO CCN(C[C@H](C)C[NH3+])C(=O)C1(c2ccccc2)CC1 ZINC000061617532 521249441 /nfs/dbraw/zinc/24/94/41/521249441.db2.gz ISNRHUNGOSKTDL-CYBMUJFWSA-N 1 0 260.381 2.162 10 0 CEAERO CCC(C)(C)N(C)C(=O)[C@@H](C[NH3+])Cc1ccccc1 ZINC000069442572 521292654 /nfs/dbraw/zinc/29/26/54/521292654.db2.gz GZTNVNAJWWLPNZ-CQSZACIVSA-N 1 0 262.397 2.451 10 0 CEAERO CCC[C@]1(C(=O)N(C)CCc2ccccn2)CCC[NH2+]C1 ZINC000062853008 521296986 /nfs/dbraw/zinc/29/69/86/521296986.db2.gz HCXMOPJJNRDQFT-KRWDZBQOSA-N 1 0 289.423 2.252 10 0 CEAERO CCC[C@]1(C(=O)NCc2ccc(F)c(F)c2)CC[NH2+]C1 ZINC000062901892 521298666 /nfs/dbraw/zinc/29/86/66/521298666.db2.gz SOSAMEHANDQMFV-HNNXBMFYSA-N 1 0 282.334 2.361 10 0 CEAERO CCC(C)(C)N(C)c1nc2sccn2c1C[NH3+] ZINC000069441888 521311308 /nfs/dbraw/zinc/31/13/08/521311308.db2.gz QCNFSRMWTMRMQE-UHFFFAOYSA-N 1 0 252.387 2.479 10 0 CEAERO CCC(C)(C)NC(=O)[C@H](C)Oc1ccc2c(c1)OC[C@H]2[NH3+] ZINC000062803858 521341460 /nfs/dbraw/zinc/34/14/60/521341460.db2.gz HCLIVKIOZHKUGR-GXFFZTMASA-N 1 0 292.379 2.151 10 0 CEAERO CCOC(=O)[C@]1(N2CCC[NH2+]CC2)C[C@@H](C)CC[C@@H]1C ZINC000068631365 521357334 /nfs/dbraw/zinc/35/73/34/521357334.db2.gz WBWKBEATBMMEEI-DZKIICNBSA-N 1 0 282.428 2.040 10 0 CEAERO CCCc1cc(N[C@H](C[NH+](C)C)C(C)C)ncn1 ZINC000049218353 521384487 /nfs/dbraw/zinc/38/44/87/521384487.db2.gz ZWZBCNMQMFNWOO-CYBMUJFWSA-N 1 0 250.390 2.427 10 0 CEAERO CCOc1cccc([C@@H]2[C@@H]([NH3+])CCC(=O)N2C(C)C)c1 ZINC000062211535 521417281 /nfs/dbraw/zinc/41/72/81/521417281.db2.gz YGWDSLKJMMBKDT-GOEBONIOSA-N 1 0 276.380 2.485 10 0 CEAERO CCC(CC)(C[NH3+])N(C)CC(=O)Nc1ccccc1 ZINC000050092382 521425669 /nfs/dbraw/zinc/42/56/69/521425669.db2.gz AKEXBAZWJBMCHX-UHFFFAOYSA-N 1 0 263.385 2.074 10 0 CEAERO CCN(c1ccc(Cl)cc1C(N)=[NH2+])[C@@H](C)COC ZINC000052860179 521489440 /nfs/dbraw/zinc/48/94/40/521489440.db2.gz ZQZFWQFXIZTLNY-VIFPVBQESA-N 1 0 269.776 2.485 10 0 CEAERO CCCc1nc(N2C[C@@H](C)O[C@H](C)C2)sc1C[NH3+] ZINC000054995442 521534983 /nfs/dbraw/zinc/53/49/83/521534983.db2.gz PLFDIXGNYJVCFR-NXEZZACHSA-N 1 0 269.414 2.168 10 0 CEAERO CCOC(=O)c1cccc(NC(=O)CCC(C)(C)[NH3+])c1 ZINC000070088178 521537063 /nfs/dbraw/zinc/53/70/63/521537063.db2.gz VXNKYRRVWRLBBS-UHFFFAOYSA-N 1 0 278.352 2.319 10 0 CEAERO CCC(CC)NC(=O)CN1c2ccccc2CC[C@@H]1C[NH3+] ZINC000063075408 521574580 /nfs/dbraw/zinc/57/45/80/521574580.db2.gz MKSZJJOQPHIMDO-OAHLLOKOSA-N 1 0 289.423 2.071 10 0 CEAERO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000055089566 521584035 /nfs/dbraw/zinc/58/40/35/521584035.db2.gz ILUOWPCQKGMXCO-ZJUUUORDSA-N 1 0 266.307 2.305 10 0 CEAERO CCC(CC)n1ccc(CN2CC[NH2+]C[C@@H]2C2CC2)n1 ZINC000068695908 521639606 /nfs/dbraw/zinc/63/96/06/521639606.db2.gz IHFJCZYFCPTCDA-MRXNPFEDSA-N 1 0 276.428 2.428 10 0 CEAERO CCC(CC)n1ccc(Cn2ccnc2C[C@@H](C)[NH3+])n1 ZINC000070326125 521641730 /nfs/dbraw/zinc/64/17/30/521641730.db2.gz VNWPILUKFMMEMO-GFCCVEGCSA-N 1 0 275.400 2.379 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCc3sccc3C2)C1 ZINC000052592948 521644623 /nfs/dbraw/zinc/64/46/23/521644623.db2.gz SIIDZHMJMLTJAD-ZDUSSCGKSA-N 1 0 293.436 2.300 10 0 CEAERO CCC[NH+](CCC)CC[C@H](NC1CC1)C(=O)OCC ZINC000062442088 521647344 /nfs/dbraw/zinc/64/73/44/521647344.db2.gz TXFWNPJZVRDKLD-AWEZNQCLSA-N 1 0 270.417 2.182 10 0 CEAERO CCCN(CC[NH+](C)C)Cc1nc(N)ccc1Cl ZINC000061638594 521657966 /nfs/dbraw/zinc/65/79/66/521657966.db2.gz NIUAOEIKVGUIMX-UHFFFAOYSA-N 1 0 270.808 2.091 10 0 CEAERO CCCN(CC[NH+](C)C)Cc1ccnc(NCC)c1 ZINC000052728015 521657785 /nfs/dbraw/zinc/65/77/85/521657785.db2.gz CVRLJNOZOQONRS-UHFFFAOYSA-N 1 0 264.417 2.287 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc2c1NCCC2 ZINC000050957479 521657810 /nfs/dbraw/zinc/65/78/10/521657810.db2.gz YVHNGYQPQPBZFU-AWEZNQCLSA-N 1 0 287.407 2.259 10 0 CEAERO CCCn1ccnc(NCCC[N@@H+]2CCCC[C@@H]2C)c1=O ZINC000061762184 521660016 /nfs/dbraw/zinc/66/00/16/521660016.db2.gz LDUUEOCTWUHGIJ-AWEZNQCLSA-N 1 0 292.427 2.330 10 0 CEAERO CCC1(CC)CC[NH+]([C@H](C)C[C@@](C)(NC)C(N)=O)CC1 ZINC000068645352 521687746 /nfs/dbraw/zinc/68/77/46/521687746.db2.gz XOQSLKVEGWBAQO-UKRRQHHQSA-N 1 0 283.460 2.131 10 0 CEAERO CC[NH+]1CCN(Cc2ccc(Cl)cc2N)CC1 ZINC000050442836 521687860 /nfs/dbraw/zinc/68/78/60/521687860.db2.gz GMWXZBCDKYUOGM-UHFFFAOYSA-N 1 0 253.777 2.060 10 0 CEAERO COc1c(C)cnc(Cn2ccnc2C[NH2+]C(C)C)c1C ZINC000051005568 521816596 /nfs/dbraw/zinc/81/65/96/521816596.db2.gz UMMBTEVRIIWCHJ-UHFFFAOYSA-N 1 0 288.395 2.450 10 0 CEAERO CN(C)C[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)CCN2 ZINC000061652427 521841590 /nfs/dbraw/zinc/84/15/90/521841590.db2.gz DGGYZQVLAGFYKA-HNNXBMFYSA-N 1 0 259.397 2.181 10 0 CEAERO C[NH+](C)C[C@@H]1CCCN1c1ccc(N)c2cnccc21 ZINC000061642934 521843252 /nfs/dbraw/zinc/84/32/52/521843252.db2.gz SBXMHRDVMQSMNL-LBPRGKRZSA-N 1 0 270.380 2.347 10 0 CEAERO C[NH+](C)C[C@@H]1CCCN1c1ccc2ncccc2c1N ZINC000061642991 521844541 /nfs/dbraw/zinc/84/45/41/521844541.db2.gz WUBURDYQHQDASD-LBPRGKRZSA-N 1 0 270.380 2.347 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1Cc1ccc(Cl)c(N)c1 ZINC000061641777 521870885 /nfs/dbraw/zinc/87/08/85/521870885.db2.gz AUIGHRHAQZSSLQ-GFCCVEGCSA-N 1 0 267.804 2.448 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1c1ccc(N)c2cnccc21 ZINC000061642936 521873654 /nfs/dbraw/zinc/87/36/54/521873654.db2.gz SBXMHRDVMQSMNL-GFCCVEGCSA-N 1 0 270.380 2.347 10 0 CEAERO CN(C)C[C@H]1CCC[N@@H+]1[C@@H]1CCc2ccccc2[C@@H]1O ZINC000061652538 521874259 /nfs/dbraw/zinc/87/42/59/521874259.db2.gz CEHUNZNPLCPJHL-OIISXLGYSA-N 1 0 274.408 2.061 10 0 CEAERO COC(=O)c1cc(N[C@@H](C)C[NH+]2CCCCC2)ccc1N ZINC000049503220 521896626 /nfs/dbraw/zinc/89/66/26/521896626.db2.gz XGBLTJSTNFISMR-LBPRGKRZSA-N 1 0 291.395 2.342 10 0 CEAERO COc1cc(-c2nnc([C@@H](C)[NH3+])[nH]2)cc(Cl)c1OC ZINC000061843995 521912208 /nfs/dbraw/zinc/91/22/08/521912208.db2.gz YEVDHSUADUYWFF-ZCFIWIBFSA-N 1 0 282.731 2.162 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000061316951 521933310 /nfs/dbraw/zinc/93/33/10/521933310.db2.gz JAPUYURXEIUCIM-LBPRGKRZSA-N 1 0 296.436 2.254 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000061317047 521935003 /nfs/dbraw/zinc/93/50/03/521935003.db2.gz GABDXVMEVYLIHZ-UHFFFAOYSA-N 1 0 271.364 2.051 10 0 CEAERO C[NH2+]C(C)(C)C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000061318570 521935431 /nfs/dbraw/zinc/93/54/31/521935431.db2.gz HTQGEJWNNINLFH-UHFFFAOYSA-N 1 0 264.413 2.317 10 0 CEAERO C[NH2+]C(C)(C)C(=O)NCc1cccc(Br)c1 ZINC000061318787 521936912 /nfs/dbraw/zinc/93/69/12/521936912.db2.gz PZJBVJMIQJQKKE-UHFFFAOYSA-N 1 0 285.185 2.063 10 0 CEAERO C[NH2+]C1CCC(NC(=O)Cc2cc(C)ccc2C)CC1 ZINC000053141993 521948541 /nfs/dbraw/zinc/94/85/41/521948541.db2.gz DUQIWSCRFMZWSD-UHFFFAOYSA-N 1 0 274.408 2.493 10 0 CEAERO COCC[C@H]([NH3+])Cc1ccc(OC)c(Br)c1 ZINC000049599992 521952099 /nfs/dbraw/zinc/95/20/99/521952099.db2.gz JDYRLEHTSGDTJE-JTQLQIEISA-N 1 0 288.185 2.364 10 0 CEAERO C[NH2+]CC1CCN(c2nnc(C)c3ccccc32)CC1 ZINC000053664118 521980711 /nfs/dbraw/zinc/98/07/11/521980711.db2.gz VMJMRAPSZHEJOR-UHFFFAOYSA-N 1 0 270.380 2.374 10 0 CEAERO C[NH2+]CCN(C)[C@@H](C)C(=O)c1ccc(Cl)cc1 ZINC000070303373 522007267 /nfs/dbraw/zinc/00/72/67/522007267.db2.gz WKYSOFJOTNUKCF-JTQLQIEISA-N 1 0 254.761 2.062 10 0 CEAERO C[NH2+]CCOCc1ccc(OC)c(Br)c1 ZINC000051841833 522011339 /nfs/dbraw/zinc/01/13/39/522011339.db2.gz RRGNQEMVXRVLAF-UHFFFAOYSA-N 1 0 274.158 2.194 10 0 CEAERO C[NH2+]CC[C@@H]1CCCCN1C(=O)NC1CCCCC1 ZINC000070192137 522015481 /nfs/dbraw/zinc/01/54/81/522015481.db2.gz MZNSOBSCJSRTOH-AWEZNQCLSA-N 1 0 267.417 2.493 10 0 CEAERO C[NH2+]CCc1nnc(-c2ccccc2OC(F)F)o1 ZINC000050619510 522023502 /nfs/dbraw/zinc/02/35/02/522023502.db2.gz OCHMQAWQKTXJAT-UHFFFAOYSA-N 1 0 269.251 2.100 10 0 CEAERO C[NH2+]C[C@@H](C)c1c(C)nc(N2CCCCC2)nc1C ZINC000054854721 522031406 /nfs/dbraw/zinc/03/14/06/522031406.db2.gz LQGBPJDRRGLODY-LLVKDONJSA-N 1 0 262.401 2.407 10 0 CEAERO COC(=O)c1ccc(Cn2ccnc2C[NH2+]C(C)C)cc1 ZINC000051005577 522061327 /nfs/dbraw/zinc/06/13/27/522061327.db2.gz UNRCGBSIHWNLDR-UHFFFAOYSA-N 1 0 287.363 2.216 10 0 CEAERO C[NH2+]C[C@@H]1OCCN(C2CC2)[C@@H]1c1ccc(F)c(C)c1 ZINC000070289330 522063726 /nfs/dbraw/zinc/06/37/26/522063726.db2.gz GGWXGXLODHOAQQ-JKSUJKDBSA-N 1 0 278.371 2.258 10 0 CEAERO C[NH2+]C[C@H](CCCOC)Cc1ccccc1OC ZINC000052980117 522074711 /nfs/dbraw/zinc/07/47/11/522074711.db2.gz GXJOCSFJBCCZRU-CYBMUJFWSA-N 1 0 251.370 2.500 10 0 CEAERO C[NH2+]C[C@H](OC[C@@H]1CCCO1)c1ccc(OC)cc1 ZINC000050493682 522076448 /nfs/dbraw/zinc/07/64/48/522076448.db2.gz AEGSQZDWZQASEP-GJZGRUSLSA-N 1 0 265.353 2.151 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1C(=O)c1ccc(C)c(F)c1 ZINC000063167869 522079545 /nfs/dbraw/zinc/07/95/45/522079545.db2.gz QJKBPAXTFHVZIF-CYBMUJFWSA-N 1 0 264.344 2.348 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(Cc2cc(F)ccc2N)CC1 ZINC000055063398 522125706 /nfs/dbraw/zinc/12/57/06/522125706.db2.gz LOVQTZKFKRBQFJ-GFCCVEGCSA-N 1 0 265.376 2.324 10 0 CEAERO CC[C@H](CC[NH3+])NC(=O)[C@H]1CCCc2ccccc21 ZINC000054668398 522128961 /nfs/dbraw/zinc/12/89/61/522128961.db2.gz FOUVXUUIMLNONJ-HIFRSBDPSA-N 1 0 260.381 2.350 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(c2cc(Cl)ncn2)CC1 ZINC000055084639 522133643 /nfs/dbraw/zinc/13/36/43/522133643.db2.gz LSQYNYMXHBPYBX-SNVBAGLBSA-N 1 0 254.765 2.051 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(c2cnc(C(C)C)nc2CO)CC1 ZINC000055069051 522137630 /nfs/dbraw/zinc/13/76/30/522137630.db2.gz PJSNBOPLEVZVAZ-CYBMUJFWSA-N 1 0 292.427 2.013 10 0 CEAERO C[NH2+]Cc1nc(CN2CCc3sccc3C2)cs1 ZINC000052382822 522152797 /nfs/dbraw/zinc/15/27/97/522152797.db2.gz MPBFWJYBUGVABX-UHFFFAOYSA-N 1 0 279.434 2.482 10 0 CEAERO CC[C@@H](C)NC(=O)COc1cc(F)ccc1[C@H](C)[NH2+]C ZINC000062746600 522169477 /nfs/dbraw/zinc/16/94/77/522169477.db2.gz FUMCZBXSXZKOFM-MNOVXSKESA-N 1 0 282.359 2.400 10 0 CEAERO CC[C@@H](C)[NH2+]C[C@H](C)N1CCN(c2nccs2)CC1 ZINC000053488374 522228890 /nfs/dbraw/zinc/22/88/90/522228890.db2.gz RDXZSEMUHPSOKJ-OLZOCXBDSA-N 1 0 282.457 2.042 10 0 CEAERO CN(C)c1ccc([C@H](O)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000054682928 522250352 /nfs/dbraw/zinc/25/03/52/522250352.db2.gz ANBLNQIKZPXWPE-HOTGVXAUSA-N 1 0 256.349 2.486 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(F)cc1OC[C@H](O)C(F)(F)F ZINC000068877970 522333629 /nfs/dbraw/zinc/33/36/29/522333629.db2.gz FISPPVBKMPFHDI-CPCISQLKSA-N 1 0 281.249 2.408 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(OCCC(=O)NC(C)C)cc1 ZINC000054047790 522335415 /nfs/dbraw/zinc/33/54/15/522335415.db2.gz GRRRKQUWXRYTLR-LBPRGKRZSA-N 1 0 264.369 2.261 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(OCCCO)c(Br)c1 ZINC000061699345 522335482 /nfs/dbraw/zinc/33/54/82/522335482.db2.gz DHWKQCSXPXCFRY-VIFPVBQESA-N 1 0 288.185 2.491 10 0 CEAERO CC[C@H]([NH3+])Cc1nccn1Cc1ccccc1OC ZINC000062803201 522336746 /nfs/dbraw/zinc/33/67/46/522336746.db2.gz MNCNGPAISHKISV-ZDUSSCGKSA-N 1 0 259.353 2.220 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1cnn(C)c1)n1ncc2ccccc21 ZINC000050524068 522342160 /nfs/dbraw/zinc/34/21/60/522342160.db2.gz JOSWGXACPDVWSP-DZGCQCFKSA-N 1 0 269.352 2.097 10 0 CEAERO C[NH2+][C@@H](CC[NH+]1CCC2(CCCCC2)CC1)C(=O)[O-] ZINC000062532846 522342421 /nfs/dbraw/zinc/34/24/21/522342421.db2.gz FBAJZWVZALTXEM-ZDUSSCGKSA-N 1 0 268.401 2.095 10 0 CEAERO CN[C@@H](CC[NH+](C1CCCCC1)C1CCCCC1)C(N)=O ZINC000062437494 522344107 /nfs/dbraw/zinc/34/41/07/522344107.db2.gz DCMQPXLVJIWAQV-INIZCTEOSA-N 1 0 295.471 2.417 10 0 CEAERO C[NH2+][C@@H](CN1C(=O)[C@@H]2C[C@@H]2C1=O)c1ccc(C(C)C)cc1 ZINC000068689303 522353928 /nfs/dbraw/zinc/35/39/28/522353928.db2.gz MHCPATUPRJQZLR-ZNMIVQPWSA-N 1 0 286.375 2.075 10 0 CEAERO C[NH2+][C@@H](Cc1cnn(C)c1)C1(c2ccccc2)CC1 ZINC000062781227 522362552 /nfs/dbraw/zinc/36/25/52/522362552.db2.gz QAGWQLGZFAPKHE-HNNXBMFYSA-N 1 0 255.365 2.282 10 0 CEAERO C[NH2+][C@@H](c1ccc2c(c1)CCC(=O)N2)[C@H]1CCCCO1 ZINC000050961524 522370113 /nfs/dbraw/zinc/37/01/13/522370113.db2.gz VRWQWOAZMHIHCM-ZBFHGGJFSA-N 1 0 274.364 2.401 10 0 CEAERO C[NH2+][C@@H](c1ccc2c(c1)OCCO2)[C@H]1CCCCO1 ZINC000050961469 522371695 /nfs/dbraw/zinc/37/16/95/522371695.db2.gz RDQNCAYSNCJDCP-HIFRSBDPSA-N 1 0 263.337 2.287 10 0 CEAERO C[NH2+][C@@H]1CCN(C[C@@H]2Cc3ccccc3O2)[C@@H](C)C1 ZINC000051086837 522394583 /nfs/dbraw/zinc/39/45/83/522394583.db2.gz WZGKWJRJBZVADT-CFVMTHIKSA-N 1 0 260.381 2.062 10 0 CEAERO C[NH2+][C@@H]1CCc2c1cccc2OCC(=O)NC(C)(C)C ZINC000062799345 522397437 /nfs/dbraw/zinc/39/74/37/522397437.db2.gz GOFOYQVFIXGVOO-CYBMUJFWSA-N 1 0 276.380 2.187 10 0 CEAERO CN[C@@](C)(C[C@H](C)[N@H+](C)[C@@H]1CCCC[C@@H]1C)C(=O)OC ZINC000068635849 522420190 /nfs/dbraw/zinc/42/01/90/522420190.db2.gz ZKGYBUBMFNMEPQ-AYDFFVQHSA-N 1 0 284.444 2.427 10 0 CEAERO C[NH2+][C@H](C)CCCCn1c2ccccc2nc(C)c1=O ZINC000052099142 522439905 /nfs/dbraw/zinc/43/99/05/522439905.db2.gz LORUYBRHDOVEGR-GFCCVEGCSA-N 1 0 273.380 2.483 10 0 CEAERO C[NH2+][C@H](C)c1ccc(F)cc1OCC(=O)NCC(C)C ZINC000062746554 522446370 /nfs/dbraw/zinc/44/63/70/522446370.db2.gz WDHATCAGYGJUIQ-LLVKDONJSA-N 1 0 282.359 2.257 10 0 CEAERO C[NH2+][C@H](C)c1ccc(OCCC(=O)NC(C)C)cc1 ZINC000054047788 522449059 /nfs/dbraw/zinc/44/90/59/522449059.db2.gz GRRRKQUWXRYTLR-GFCCVEGCSA-N 1 0 264.369 2.261 10 0 CEAERO C[NH2+][C@H](C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)o1 ZINC000050618253 522454646 /nfs/dbraw/zinc/45/46/46/522454646.db2.gz VJTMQBNHKFEUER-MRVPVSSYSA-N 1 0 293.323 2.043 10 0 CEAERO C[NH2+][C@H](C)c1cnc(Cc2nc(C)cs2)nc1C ZINC000055269971 522454671 /nfs/dbraw/zinc/45/46/71/522454671.db2.gz CYYALLZDSOOLML-SECBINFHSA-N 1 0 262.382 2.421 10 0 CEAERO CN(CC(=O)NC1CC1)c1ccccc1C[NH2+]C(C)(C)C ZINC000062737828 522467457 /nfs/dbraw/zinc/46/74/57/522467457.db2.gz FLHCZOQQLCQGPF-UHFFFAOYSA-N 1 0 289.423 2.290 10 0 CEAERO C[NH2+][C@H](Cn1ncccc1=O)c1cccc2ccccc21 ZINC000061402607 522476654 /nfs/dbraw/zinc/47/66/54/522476654.db2.gz OHDVOMGKYZENJB-MRXNPFEDSA-N 1 0 279.343 2.357 10 0 CEAERO C[NH2+][C@H](c1ccccc1)[C@H](C)N1CCCO[C@@H](C)C1 ZINC000061917010 522486128 /nfs/dbraw/zinc/48/61/28/522486128.db2.gz WESTUCHMXPGUFI-DZKIICNBSA-N 1 0 262.397 2.446 10 0 CEAERO CC[C@@H](CC1CC1)NC(=O)C1(CC)CC[NH2+]CC1 ZINC000070103968 522488743 /nfs/dbraw/zinc/48/87/43/522488743.db2.gz RSIWLEXHASMBLN-ZDUSSCGKSA-N 1 0 252.402 2.461 10 0 CEAERO C[NH2+][C@H]1CCCc2nc(N(C)CCCOC)sc21 ZINC000062037712 522498805 /nfs/dbraw/zinc/49/88/05/522498805.db2.gz MJMOQRSNCHDOHT-JTQLQIEISA-N 1 0 269.414 2.213 10 0 CEAERO CCc1nc2ccccc2n1[C@H]1COCC[C@@H]1[NH2+]C ZINC000062807460 522505892 /nfs/dbraw/zinc/50/58/92/522505892.db2.gz PQFSJIZSGGOHCN-FZMZJTMJSA-N 1 0 259.353 2.148 10 0 CEAERO C[NH2+][C@H]1COc2cc(O[C@H]3CCCC[C@@H]3O)ccc21 ZINC000062804292 522507161 /nfs/dbraw/zinc/50/71/61/522507161.db2.gz QLDCCDQGOIJWLY-IHRRRGAJSA-N 1 0 263.337 2.022 10 0 CEAERO C[NH2+][C@H]1COc2cc(OCc3noc(C(C)C)n3)ccc21 ZINC000062804021 522507310 /nfs/dbraw/zinc/50/73/10/522507310.db2.gz CWBAVQQXEOCBLV-LBPRGKRZSA-N 1 0 289.335 2.425 10 0 CEAERO C[NH2+][C@H]1COc2cc(OC[C@@H]3CCCCO3)ccc21 ZINC000062804014 522508356 /nfs/dbraw/zinc/50/83/56/522508356.db2.gz QMVWFRGKMAIGNX-JSGCOSHPSA-N 1 0 263.337 2.287 10 0 CEAERO CN[C@](C)(CCC[N@@H+]1CCCC(C)(C)C1)C(=O)OC ZINC000069516771 522513394 /nfs/dbraw/zinc/51/33/94/522513394.db2.gz XUTFQXZTUUWYQQ-OAHLLOKOSA-N 1 0 270.417 2.040 10 0 CEAERO C[NH2+][C@](C)(C[C@@H](C)Oc1cc(C)cc(C)c1C)C(N)=O ZINC000068657201 522521056 /nfs/dbraw/zinc/52/10/56/522521056.db2.gz HRZOCIOHBMYIRL-MLGOLLRUSA-N 1 0 278.396 2.233 10 0 CEAERO C[NH2+][C@](COc1cc(C(C)C)ccc1C)(C(N)=O)C1CC1 ZINC000069194070 522530714 /nfs/dbraw/zinc/53/07/14/522530714.db2.gz ATZJPUBXYJIEJV-KRWDZBQOSA-N 1 0 290.407 2.351 10 0 CEAERO CNc1ccc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000050791209 522591499 /nfs/dbraw/zinc/59/14/99/522591499.db2.gz IQCWMGOZKZGHOS-ZDUSSCGKSA-N 1 0 275.396 2.333 10 0 CEAERO CC[C@H]([NH2+]C[C@H](O)c1ccc2c(c1)OCO2)C(C)C ZINC000049130183 522630337 /nfs/dbraw/zinc/63/03/37/522630337.db2.gz UNJZDHQCICCDJE-STQMWFEESA-N 1 0 265.353 2.473 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Oc1cccc(COC)c1)c1cnn(C)c1 ZINC000070094872 522647079 /nfs/dbraw/zinc/64/70/79/522647079.db2.gz LXZANAMVCIWPLQ-CVEARBPZSA-N 1 0 289.379 2.424 10 0 CEAERO CC[C@@H](NC(=O)C1(C[NH3+])CCOCC1)C1CCCCC1 ZINC000052340795 522666416 /nfs/dbraw/zinc/66/64/16/522666416.db2.gz HXNJEIXDRPAEAY-CQSZACIVSA-N 1 0 282.428 2.217 10 0 CEAERO COC1CCN(c2nc(C)c([C@@H](C)[NH3+])s2)CC1 ZINC000054895410 522709543 /nfs/dbraw/zinc/70/95/43/522709543.db2.gz OBLSNSDBILNMGJ-MRVPVSSYSA-N 1 0 255.387 2.086 10 0 CEAERO COC1CCN(c2c(C[NH2+]CC(C)C)c(C)nn2C)CC1 ZINC000062735581 522710407 /nfs/dbraw/zinc/71/04/07/522710407.db2.gz UZCZKSCASXSMJE-UHFFFAOYSA-N 1 0 294.443 2.089 10 0 CEAERO CC[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(C)C ZINC000049146939 522765624 /nfs/dbraw/zinc/76/56/24/522765624.db2.gz PDSNALIAAVXQTH-CABCVRRESA-N 1 0 260.381 2.252 10 0 CEAERO CN(CC[NH2+]C1CCOCC1)Cc1cccc(F)c1 ZINC000062767643 522863434 /nfs/dbraw/zinc/86/34/34/522863434.db2.gz NCFNHFOYIFNQHE-UHFFFAOYSA-N 1 0 266.360 2.026 10 0 CEAERO CC[C@H](Oc1ccc(C[NH2+]C(C)C)cc1Cl)C(N)=O ZINC000061676020 522872779 /nfs/dbraw/zinc/87/27/79/522872779.db2.gz NFIZQBDVNGQBIM-LBPRGKRZSA-N 1 0 284.787 2.481 10 0 CEAERO COCC1CCN(CC[NH2+]CCc2ccsc2)CC1 ZINC000070083094 522932877 /nfs/dbraw/zinc/93/28/77/522932877.db2.gz IATNLGVOYFXLEU-UHFFFAOYSA-N 1 0 282.453 2.239 10 0 CEAERO COCC1CC[NH+](Cc2cc(F)ccc2C(N)=S)CC1 ZINC000069403323 522936546 /nfs/dbraw/zinc/93/65/46/522936546.db2.gz LMWJJHZLDQKVCH-UHFFFAOYSA-N 1 0 296.411 2.318 10 0 CEAERO CC[C@@H](Oc1cccc(C[NH2+]C(C)(C)C)c1)C(N)=O ZINC000062731380 523051097 /nfs/dbraw/zinc/05/10/97/523051097.db2.gz UDDRFABTJNESDG-CYBMUJFWSA-N 1 0 264.369 2.217 10 0 CEAERO CN(C[C@@H]1CCCO1)[C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062710608 523055457 /nfs/dbraw/zinc/05/54/57/523055457.db2.gz AFNWTHWJLVUXQS-GWCFXTLKSA-N 1 0 288.313 2.215 10 0 CEAERO CN(C[C@@H]1CCCO1)c1cc(Cl)ccc1C(N)=[NH2+] ZINC000062788877 523056097 /nfs/dbraw/zinc/05/60/97/523056097.db2.gz TWLNHLDQIWIUTD-JTQLQIEISA-N 1 0 267.760 2.239 10 0 CEAERO COC(=O)CCOc1ccc(Cl)cc1C[C@@H](C)[NH3+] ZINC000069318763 523105517 /nfs/dbraw/zinc/10/55/17/523105517.db2.gz GDBZVTKOWPEQHT-SECBINFHSA-N 1 0 271.744 2.172 10 0 CEAERO CC[C@H]1CCC[C@H](NS(=O)(=O)c2cccc(C[NH3+])c2)C1 ZINC000068602175 523141990 /nfs/dbraw/zinc/14/19/90/523141990.db2.gz GJJHVYPHPCSICF-JSGCOSHPSA-N 1 0 296.436 2.392 10 0 CEAERO C[N@@H+](Cc1cc(F)ccc1C(N)=S)C[C@H]1CCCCO1 ZINC000069402757 523180764 /nfs/dbraw/zinc/18/07/64/523180764.db2.gz DLOKCGQMMYQKRG-CYBMUJFWSA-N 1 0 296.411 2.461 10 0 CEAERO COC(=O)C[C@@H](C)C[C@H]([NH3+])c1ccc2c(c1)OCCO2 ZINC000061829659 523264141 /nfs/dbraw/zinc/26/41/41/523264141.db2.gz WPBMBRMPVJRVGF-JQWIXIFHSA-N 1 0 279.336 2.047 10 0 CEAERO CC[C@H]1COCCN1c1c(C[NH2+]CC(C)C)c(C)nn1C ZINC000062736310 523338390 /nfs/dbraw/zinc/33/83/90/523338390.db2.gz OTLWUGCGZMHHQC-AWEZNQCLSA-N 1 0 294.443 2.089 10 0 CEAERO CCn1cc(CN(CCC(N)=[NH2+])c2ccccc2)cn1 ZINC000050540046 523365154 /nfs/dbraw/zinc/36/51/54/523365154.db2.gz ZIZPTXDXVRHUQT-UHFFFAOYSA-N 1 0 271.368 2.236 10 0 CEAERO COCCC[NH2+]CCn1cc(-c2ccccc2)cn1 ZINC000054962300 523372799 /nfs/dbraw/zinc/37/27/99/523372799.db2.gz NCZXZTBRFHYWDE-UHFFFAOYSA-N 1 0 259.353 2.176 10 0 CEAERO COCCC[NH2+]C[C@@H](C)N1CCc2sccc2C1 ZINC000053486770 523374293 /nfs/dbraw/zinc/37/42/93/523374293.db2.gz YMKJQKNWOHRBLM-GFCCVEGCSA-N 1 0 268.426 2.121 10 0 CEAERO COCCC[NH2+]C[C@H](C)n1nc(C)c(Cl)c1C ZINC000053536170 523376822 /nfs/dbraw/zinc/37/68/22/523376822.db2.gz URVMTPXWDJYIEL-VIFPVBQESA-N 1 0 259.781 2.340 10 0 CEAERO CCn1cc(Cn2cc(C[NH2+]C(C)(C)C)cn2)cn1 ZINC000054720146 523397438 /nfs/dbraw/zinc/39/74/38/523397438.db2.gz MQOQNIZWXVGSRH-UHFFFAOYSA-N 1 0 261.373 2.036 10 0 CEAERO CC[C@](C)(CCCS(C)(=O)=O)C[NH2+]CC(C)C ZINC000063018490 523450184 /nfs/dbraw/zinc/45/01/84/523450184.db2.gz ZXHDBNUMYFHBQP-CYBMUJFWSA-N 1 0 263.447 2.473 10 0 CEAERO CC[C@@H]1COCCN1[C@@H](C[NH3+])c1ccc(F)c(C)c1 ZINC000050546117 523501405 /nfs/dbraw/zinc/50/14/05/523501405.db2.gz RVAJWVWVFSSSJI-HIFRSBDPSA-N 1 0 266.360 2.245 10 0 CEAERO CC[C@@H]1CO[C@H](C)CN1Cc1cc(C[NH2+]C)oc1C ZINC000052571207 523517439 /nfs/dbraw/zinc/51/74/39/523517439.db2.gz IQQGAXOVLCMUJI-BXUZGUMPSA-N 1 0 266.385 2.307 10 0 CEAERO CC[C@@H]1CO[C@H](C)CN1c1ncc([C@@H](C)[NH3+])s1 ZINC000054898179 523520820 /nfs/dbraw/zinc/52/08/20/523520820.db2.gz SDGYYIGGQXVDEV-OPRDCNLKSA-N 1 0 255.387 2.167 10 0 CEAERO CCn1ccnc1[C@@H](Cc1nc(C)cs1)[NH2+]C ZINC000069498539 523553553 /nfs/dbraw/zinc/55/35/53/523553553.db2.gz VXWZIXGMEHXRFG-SNVBAGLBSA-N 1 0 250.371 2.171 10 0 CEAERO COC(=O)[C@@H](C)n1c(N)[nH+]c2cc(Br)ccc21 ZINC000049360978 523560929 /nfs/dbraw/zinc/56/09/29/523560929.db2.gz YKCSMTNEVPIRBR-ZCFIWIBFSA-N 1 0 298.140 2.115 10 0 CEAERO COC(=O)[C@@H](CC[NH+]1CCCCCCC1)NC(C)C ZINC000062438839 523572394 /nfs/dbraw/zinc/57/23/94/523572394.db2.gz YYABUNKAHSNJCW-CQSZACIVSA-N 1 0 270.417 2.182 10 0 CEAERO COC(=O)[C@@H](CC[NH+](CC(C)C)CC(C)C)NC1CC1 ZINC000062454538 523573179 /nfs/dbraw/zinc/57/31/79/523573179.db2.gz FWDCNESPXBACDN-OAHLLOKOSA-N 1 0 284.444 2.284 10 0 CEAERO CN(Cc1nccn1C)[C@H](C[NH3+])c1cc2ccccc2o1 ZINC000068811998 523594654 /nfs/dbraw/zinc/59/46/54/523594654.db2.gz FYEUWVHDPLOCCM-CYBMUJFWSA-N 1 0 284.363 2.298 10 0 CEAERO COCC[N@H+](C)CCNc1c(F)c(F)c(F)c(F)c1F ZINC000061379701 523613841 /nfs/dbraw/zinc/61/38/41/523613841.db2.gz UQWUFTOMEBHVNJ-UHFFFAOYSA-N 1 0 298.255 2.372 10 0 CEAERO COCCN(C)c1nc(C)c(C[NH2+]C(C)C)s1 ZINC000055001744 523637289 /nfs/dbraw/zinc/63/72/89/523637289.db2.gz UPIQMJJVQKPGCZ-UHFFFAOYSA-N 1 0 257.403 2.032 10 0 CEAERO CC[C@@]1(C(=O)N2CCn3c(C)ccc3[C@@H]2C)CC[NH2+]C1 ZINC000062894448 523691414 /nfs/dbraw/zinc/69/14/14/523691414.db2.gz YZAAQUSLTMMIEN-XJKSGUPXSA-N 1 0 275.396 2.089 10 0 CEAERO CCc1c(C)nn([C@@H](C)C[C@@](C)([NH2+]C2CC2)C(N)=O)c1C ZINC000068649186 523716153 /nfs/dbraw/zinc/71/61/53/523716153.db2.gz GCQDTQMYXRISHM-MGPLVRAMSA-N 1 0 292.427 2.009 10 0 CEAERO COCC[NH+](CCOC)Cc1ccc(Cl)cc1N ZINC000050442975 523719641 /nfs/dbraw/zinc/71/96/41/523719641.db2.gz BBTYNKMORULOJD-UHFFFAOYSA-N 1 0 272.776 2.017 10 0 CEAERO COc1ccc(C(=O)N[C@@H]2CCCCC[C@H]2[NH3+])c(OC)c1 ZINC000063211007 523723783 /nfs/dbraw/zinc/72/37/83/523723783.db2.gz KGNUILJJUSEJHB-ZIAGYGMSSA-N 1 0 292.379 2.094 10 0 CEAERO COc1ccc(C)cc1C(=O)N[C@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000052943379 523802800 /nfs/dbraw/zinc/80/28/00/523802800.db2.gz WIPZJBRVOQVNEA-MJBXVCDLSA-N 1 0 288.391 2.122 10 0 CEAERO COc1ccc(C)cc1C[N@H+](C)[C@H](C)C(N)=S ZINC000050704111 523807733 /nfs/dbraw/zinc/80/77/33/523807733.db2.gz CGJZBIIZJNZLCO-SNVBAGLBSA-N 1 0 252.383 2.110 10 0 CEAERO CN(C(=O)C[NH2+][C@@H]1CCCc2sccc21)C1CC1 ZINC000061362056 523826287 /nfs/dbraw/zinc/82/62/87/523826287.db2.gz JFRZRDHMAMVBCN-GFCCVEGCSA-N 1 0 264.394 2.336 10 0 CEAERO COCC[N@@H+]1CCN(Cc2csc(C3CC3)n2)C[C@H]1C ZINC000161674396 523855819 /nfs/dbraw/zinc/85/58/19/523855819.db2.gz VWJIYKXQECBOQX-GFCCVEGCSA-N 1 0 295.452 2.173 10 0 CEAERO COc1ccc(C)cc1[C@](O)([C@H](C)[NH3+])C(F)(F)F ZINC000062784628 523859688 /nfs/dbraw/zinc/85/96/88/523859688.db2.gz TWZZUEYCMASYCK-GZMMTYOYSA-N 1 0 263.259 2.101 10 0 CEAERO COc1ccc(C)cc1[C@H](O)C[NH2+][C@@H](CN(C)C)C(C)C ZINC000049204732 523859839 /nfs/dbraw/zinc/85/98/39/523859839.db2.gz ZDDZKYSCNGAEQC-JKSUJKDBSA-N 1 0 294.439 2.213 10 0 CEAERO CC[C@H](C)C[NH2+]C[C@@H](O)c1ccc2c(c1)OCO2 ZINC000054471276 523883605 /nfs/dbraw/zinc/88/36/05/523883605.db2.gz HLLGGXOIBMCBLY-CMPLNLGQSA-N 1 0 251.326 2.084 10 0 CEAERO CN1CCN(C[C@@H]([NH3+])c2cccc(C(F)(F)F)c2)C1=O ZINC000052885726 523904953 /nfs/dbraw/zinc/90/49/53/523904953.db2.gz LBSHOWSPUXLECT-LLVKDONJSA-N 1 0 287.285 2.073 10 0 CEAERO CC[C@H](C)N(C)c1nc2ccccn2c1C[NH2+]CCOC ZINC000062735396 523925044 /nfs/dbraw/zinc/92/50/44/523925044.db2.gz FZLGLUQKOOQCNT-ZDUSSCGKSA-N 1 0 290.411 2.305 10 0 CEAERO C[N@@H+]1CCN(c2nc(C3CC3)c(CO)s2)CC1(C)C ZINC000069183454 523928173 /nfs/dbraw/zinc/92/81/73/523928173.db2.gz MUERIGIOBNHVFC-UHFFFAOYSA-N 1 0 281.425 2.043 10 0 CEAERO COCC[NH2+]C[C@@H](C)Oc1ccc(Br)cc1 ZINC000053566127 523940649 /nfs/dbraw/zinc/94/06/49/523940649.db2.gz WZZPMCNFGJJQJJ-SNVBAGLBSA-N 1 0 288.185 2.452 10 0 CEAERO COc1ccc(CC[NH3+])cc1OCC1CCOCC1 ZINC000052174814 523941859 /nfs/dbraw/zinc/94/18/59/523941859.db2.gz VNRXHCUMKAHPSZ-UHFFFAOYSA-N 1 0 265.353 2.002 10 0 CEAERO COCC[NH2+]C[C@@](C)(O)c1ccc(C(F)(F)F)cc1 ZINC000055033660 523942806 /nfs/dbraw/zinc/94/28/06/523942806.db2.gz UGTAKLZXAKWOCE-GFCCVEGCSA-N 1 0 277.286 2.149 10 0 CEAERO COCC[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000055030496 523943468 /nfs/dbraw/zinc/94/34/68/523943468.db2.gz KVRLRPIYHNRDRJ-NSHDSACASA-N 1 0 264.152 2.263 10 0 CEAERO COCC[NH2+]C[C@](C)(O)c1ccc(Cl)c(Cl)c1 ZINC000055033624 523944389 /nfs/dbraw/zinc/94/43/89/523944389.db2.gz POSBGVLGYXLCSZ-LBPRGKRZSA-N 1 0 278.179 2.437 10 0 CEAERO COCC[NH2+]C[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000062721066 523945031 /nfs/dbraw/zinc/94/50/31/523945031.db2.gz DTJOEKJOAJZUOU-ZJUUUORDSA-N 1 0 259.271 2.443 10 0 CEAERO COCC[NH2+]Cc1c(C)nn(C)c1N(C)C1CCCCC1 ZINC000062734534 523945823 /nfs/dbraw/zinc/94/58/23/523945823.db2.gz XVZNTOUPRODXBJ-UHFFFAOYSA-N 1 0 294.443 2.233 10 0 CEAERO CN(C(=O)c1cccc2c1CCCN2)[C@H]1CCC[N@H+](C)C1 ZINC000061413078 523946189 /nfs/dbraw/zinc/94/61/89/523946189.db2.gz DBFRZLBBUUDCGQ-ZDUSSCGKSA-N 1 0 287.407 2.211 10 0 CEAERO COCC[NH2+]C[C@]1(Cc2cccc(F)c2F)CCOC1 ZINC000054666432 523946463 /nfs/dbraw/zinc/94/64/63/523946463.db2.gz LXURTEJRRJRTII-OAHLLOKOSA-N 1 0 285.334 2.150 10 0 CEAERO COCC[NH2+]Cc1c(Cl)cccc1N1CCC(O)CC1 ZINC000062734672 523946851 /nfs/dbraw/zinc/94/68/51/523946851.db2.gz CERVRGWMLRPCCP-UHFFFAOYSA-N 1 0 298.814 2.037 10 0 CEAERO COCC[NH2+]Cc1c(C)nn(C)c1N1CC[C@@H](C)C[C@@H]1C ZINC000062738087 523946916 /nfs/dbraw/zinc/94/69/16/523946916.db2.gz KOGUVQWXQNUGHN-OLZOCXBDSA-N 1 0 294.443 2.089 10 0 CEAERO COCC[NH2+]Cc1c(C)nn(C)c1N1CCC[C@@H](C)[C@@H]1C ZINC000062738045 523947676 /nfs/dbraw/zinc/94/76/76/523947676.db2.gz SOTVXXVIVSMTKR-OCCSQVGLSA-N 1 0 294.443 2.089 10 0 CEAERO COCC[NH2+]Cc1cc(OC)ccc1OCC1CC1 ZINC000062727712 523950285 /nfs/dbraw/zinc/95/02/85/523950285.db2.gz GSALQZMBIFVLMA-UHFFFAOYSA-N 1 0 265.353 2.220 10 0 CEAERO COCC[NH2+]Cc1cc(F)ccc1N1CCCC1 ZINC000062734070 523950357 /nfs/dbraw/zinc/95/03/57/523950357.db2.gz MIKJABGODZSMRX-UHFFFAOYSA-N 1 0 252.333 2.162 10 0 CEAERO CCc1ccc(C[C@@H](C[NH3+])C(=O)NC(C)(C)C)cc1 ZINC000050304484 523950993 /nfs/dbraw/zinc/95/09/93/523950993.db2.gz BORYGQYBZWWULW-AWEZNQCLSA-N 1 0 262.397 2.281 10 0 CEAERO COCC[NH2+]Cc1ccc(OC)cc1OCC(F)F ZINC000062733257 523951242 /nfs/dbraw/zinc/95/12/42/523951242.db2.gz JEVCWKKZRPQFON-UHFFFAOYSA-N 1 0 275.295 2.075 10 0 CEAERO CCc1ccc(C[C@H](C[NH2+]C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000052950102 523951724 /nfs/dbraw/zinc/95/17/24/523951724.db2.gz FRJWRTQSLOMRFD-JKSUJKDBSA-N 1 0 295.448 2.062 10 0 CEAERO COCC[NH2+]Cc1ccc(-n2ccc(C)n2)c(C)c1 ZINC000062738933 523951954 /nfs/dbraw/zinc/95/19/54/523951954.db2.gz DKZYYKNXKHBMNF-UHFFFAOYSA-N 1 0 259.353 2.225 10 0 CEAERO COCC[NH2+]Cc1ccccc1-n1nc(C)cc1C ZINC000062738597 523954101 /nfs/dbraw/zinc/95/41/01/523954101.db2.gz IKUTVXFGBWPQGK-UHFFFAOYSA-N 1 0 259.353 2.225 10 0 CEAERO CC[C@H](C)[NH+]1CCN(Cc2nc(N)ccc2Cl)CC1 ZINC000061639144 523956307 /nfs/dbraw/zinc/95/63/07/523956307.db2.gz BTJYAIIEPWBJEG-NSHDSACASA-N 1 0 282.819 2.233 10 0 CEAERO COCC[NH2+]Cc1cnc(Cc2cc(F)cc(F)c2)nc1 ZINC000054856863 523956517 /nfs/dbraw/zinc/95/65/17/523956517.db2.gz OPDNEFVGXFDCLW-UHFFFAOYSA-N 1 0 293.317 2.082 10 0 CEAERO COCC[NH2+]Cc1nc2c([nH]1)CC[C@@H](C(C)(C)C)C2 ZINC000069236721 523956688 /nfs/dbraw/zinc/95/66/88/523956688.db2.gz SWGOYCWBSONBEB-LLVKDONJSA-N 1 0 265.401 2.297 10 0 CEAERO COCC[NH2+][C@@]1(c2nc(C)cs2)CCCSC1 ZINC000061590793 523961661 /nfs/dbraw/zinc/96/16/61/523961661.db2.gz AFZZSYJEGJIPJR-LBPRGKRZSA-N 1 0 272.439 2.410 10 0 CEAERO COCC[NH2+][C@](C)(CO)c1ccc(CC(C)C)cc1 ZINC000053292628 523961928 /nfs/dbraw/zinc/96/19/28/523961928.db2.gz BNRMHLHRFHWMBC-MRXNPFEDSA-N 1 0 265.397 2.329 10 0 CEAERO CO[C@H]1CCC[C@H](OCc2ccnc(C[NH3+])c2)C1 ZINC000070323720 523983799 /nfs/dbraw/zinc/98/37/99/523983799.db2.gz GYIMORZZGJEUTH-KBPBESRZSA-N 1 0 250.342 2.015 10 0 CEAERO COC(=O)[C@](C)(C[N@@H+]1CCCCC[C@@H]1C)NC(C)C ZINC000069549512 523998781 /nfs/dbraw/zinc/99/87/81/523998781.db2.gz CVKBHAMWXULWQX-ZFWWWQNUSA-N 1 0 270.417 2.181 10 0 CEAERO COC(=O)[C@](C)([NH3+])C[C@H](C)n1cc(-c2ccccc2)cn1 ZINC000068650128 524002091 /nfs/dbraw/zinc/00/20/91/524002091.db2.gz LBWFHIZWJSIQKD-BLLLJJGKSA-N 1 0 287.363 2.392 10 0 CEAERO COC(=O)[C@](C[NH+]1CCC(C)(C)CC1)(NC(C)C)C1CC1 ZINC000069232050 524005145 /nfs/dbraw/zinc/00/51/45/524005145.db2.gz UIPBTUMCJVGPLW-QGZVFWFLSA-N 1 0 296.455 2.428 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](CN2CCC(C(C)(C)C)CC2)C1 ZINC000050348996 524008756 /nfs/dbraw/zinc/00/87/56/524008756.db2.gz LBFWEYAMRUZGCM-ZIAGYGMSSA-N 1 0 254.418 2.121 10 0 CEAERO CCc1ccc([C@@H](C)[NH2+][C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000069135936 524027711 /nfs/dbraw/zinc/02/77/11/524027711.db2.gz MUSYGNIFHNQGAN-IUODEOHRSA-N 1 0 281.421 2.477 10 0 CEAERO COCCOCc1csc(C[NH2+]CC(C)C)n1 ZINC000052628117 524028263 /nfs/dbraw/zinc/02/82/63/524028263.db2.gz CEEAOHRVMJHPON-UHFFFAOYSA-N 1 0 258.387 2.052 10 0 CEAERO COc1ccc(CN2CC[NH2+]C[C@@H]2C(C)C)cc1OC ZINC000068695812 524035095 /nfs/dbraw/zinc/03/50/95/524035095.db2.gz RLSTVULUGAGWSW-CQSZACIVSA-N 1 0 278.396 2.134 10 0 CEAERO C[NH+](C)CC1CC[NH+]([C@@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000062754194 524049822 /nfs/dbraw/zinc/04/98/22/524049822.db2.gz SOJJQZQXIKPRJV-INIZCTEOSA-N 1 0 290.407 2.476 10 0 CEAERO CNC(=O)CCCOc1ccc(C)cc1[C@H](C)[NH2+]C ZINC000068816477 524065239 /nfs/dbraw/zinc/06/52/39/524065239.db2.gz JKXSDJHZZIUPOB-LBPRGKRZSA-N 1 0 264.369 2.180 10 0 CEAERO CNC(=O)CCOc1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000062728819 524069559 /nfs/dbraw/zinc/06/95/59/524069559.db2.gz DDCRTUZVMCUKQU-UHFFFAOYSA-N 1 0 264.369 2.090 10 0 CEAERO COc1ccc(C[C@H]([NH3+])C2CCOCC2)cc1OC ZINC000061672609 524155772 /nfs/dbraw/zinc/15/57/72/524155772.db2.gz UCRKWXQEFKCECG-ZDUSSCGKSA-N 1 0 265.353 2.000 10 0 CEAERO Cc1ccc(C)c(OCCN2[C@@H](C)C[NH2+]C[C@@H]2C)c1 ZINC000069134695 524177092 /nfs/dbraw/zinc/17/70/92/524177092.db2.gz TUNROJJWAXJPJV-GJZGRUSLSA-N 1 0 262.397 2.364 10 0 CEAERO C[C@H]1CCC[C@H](C[NH3+])N1c1ccc(C(N)=O)cc1Cl ZINC000070158150 524194649 /nfs/dbraw/zinc/19/46/49/524194649.db2.gz IWGPCBZEUKWHES-GXSJLCMTSA-N 1 0 281.787 2.145 10 0 CEAERO C[C@H]1CCC[C@H](N(C)C(=O)c2cc[nH+]c(NN)c2)C1 ZINC000051095146 524202413 /nfs/dbraw/zinc/20/24/13/524202413.db2.gz SFABPFBCGQQHIG-JQWIXIFHSA-N 1 0 262.357 2.018 10 0 CEAERO C[C@H]1CCC[C@](CO)([NH2+]Cc2ccc3c(c2)OCCO3)C1 ZINC000053116121 524225703 /nfs/dbraw/zinc/22/57/03/524225703.db2.gz MOYLDMCUUCRLAJ-GUYCJALGSA-N 1 0 291.391 2.489 10 0 CEAERO COc1ccc(Cl)cc1NC(=O)c1ccc(NN)[nH+]c1 ZINC000051092166 524241769 /nfs/dbraw/zinc/24/17/69/524241769.db2.gz KREBCVBKQRJZII-UHFFFAOYSA-N 1 0 292.726 2.282 10 0 CEAERO Cc1cc(C)c(C(=O)[O-])c(N[C@@H](C)CC[NH+](C)C)[nH+]1 ZINC000049560488 524244920 /nfs/dbraw/zinc/24/49/20/524244920.db2.gz OTUCTODTWTYHLG-JTQLQIEISA-N 1 0 265.357 2.149 10 0 CEAERO C[C@H]1CCN(C(=O)c2cc3ccccc3o2)C[C@H]1[NH3+] ZINC000070146146 524265492 /nfs/dbraw/zinc/26/54/92/524265492.db2.gz VPEOLPDCUFQUPI-CMPLNLGQSA-N 1 0 258.321 2.242 10 0 CEAERO C[C@@H]1CCC[C@@H](CNC(=O)Cc2cccc(F)c2)[NH2+]1 ZINC000051573314 524289095 /nfs/dbraw/zinc/28/90/95/524289095.db2.gz RXPCBDOVEMCWKJ-RISCZKNCSA-N 1 0 264.344 2.015 10 0 CEAERO C[C@H]1CCN(c2ncnc3sccc32)C[C@@H]1C[NH3+] ZINC000164010539 524307436 /nfs/dbraw/zinc/30/74/36/524307436.db2.gz VHYQJLNDUGMFKS-UWVGGRQHSA-N 1 0 262.382 2.112 10 0 CEAERO C[C@@H]1CCC[C@@H](NC(=O)[C@H]2[NH2+]CCC[C@H]2C)[C@@H]1C ZINC000051791842 524312980 /nfs/dbraw/zinc/31/29/80/524312980.db2.gz BQKBJIUKBHBUMG-KSTCHIGDSA-N 1 0 252.402 2.315 10 0 CEAERO C[C@@H]1CCC[C@@H](SCCC(=O)N2CC[NH2+]CC2)C1 ZINC000054694898 524320646 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ZINC000156332755 524406717 /nfs/dbraw/zinc/40/67/17/524406717.db2.gz MOSHCCIZRPERLN-CABCVRRESA-N 1 0 290.407 2.214 10 0 CEAERO Cc1cc(C)cc(O[C@H](C)C[C@@](C)([NH2+]C2CC2)C(N)=O)c1 ZINC000068656134 524454916 /nfs/dbraw/zinc/45/49/16/524454916.db2.gz BPVYTFSKPWEWNY-CXAGYDPISA-N 1 0 290.407 2.457 10 0 CEAERO Cc1cc(C)cc(O[C@@H](C)C[C@@](C)([NH2+]C2CC2)C(N)=O)c1 ZINC000068656132 524455958 /nfs/dbraw/zinc/45/59/58/524455958.db2.gz BPVYTFSKPWEWNY-SUMWQHHRSA-N 1 0 290.407 2.457 10 0 CEAERO COc1ccccc1C[C@@](C)(O)C[NH2+]CC(C)C ZINC000055030235 524506724 /nfs/dbraw/zinc/50/67/24/524506724.db2.gz QYHJGFJIKITEPP-OAHLLOKOSA-N 1 0 251.370 2.234 10 0 CEAERO C[C@@H]1CCN(Cc2ccccc2OC(F)F)C[C@@H]1[NH3+] ZINC000070144831 524514459 /nfs/dbraw/zinc/51/44/59/524514459.db2.gz YCQAQUVOFKJEBX-PWSUYJOCSA-N 1 0 270.323 2.457 10 0 CEAERO C[C@@H](C[NH+]1CCCCC1)Nc1nccn(C(C)(C)C)c1=O ZINC000061765131 524608725 /nfs/dbraw/zinc/60/87/25/524608725.db2.gz IDQGBWHHEYUXLX-ZDUSSCGKSA-N 1 0 292.427 2.285 10 0 CEAERO 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ZMRCHKJWVJKOBL-DOTOQJQBSA-N 1 0 288.391 2.262 10 0 CEAERO COc1ccc([C@@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1OC ZINC000054686190 525209356 /nfs/dbraw/zinc/20/93/56/525209356.db2.gz ZJTDBDAAYIRSTJ-WMLDXEAASA-N 1 0 287.359 2.307 10 0 CEAERO CS(=O)(=O)c1ccc(N2CCCCC2=[NH2+])cc1 ZINC000049584014 525252751 /nfs/dbraw/zinc/25/27/51/525252751.db2.gz FUDDSUHLAFRMOS-UHFFFAOYSA-N 1 0 252.339 2.058 10 0 CEAERO Cc1cc(NC[C@@H]2CCC[N@@H+](C)C2)nc(Cl)n1 ZINC000052814873 525273607 /nfs/dbraw/zinc/27/36/07/525273607.db2.gz NKGGWEYIDPEBJI-JTQLQIEISA-N 1 0 254.765 2.192 10 0 CEAERO C[C@H]([NH2+]CC(=O)N(C)C1CC1)c1ccc(F)cc1 ZINC000049505639 525300175 /nfs/dbraw/zinc/30/01/75/525300175.db2.gz BWJDMFFYFSMAOH-JTQLQIEISA-N 1 0 250.317 2.097 10 0 CEAERO COc1ccc([C@H](C[NH3+])OC)cc1Br ZINC000049848152 525354175 /nfs/dbraw/zinc/35/41/75/525354175.db2.gz YBDBAESOHVPZDB-JTQLQIEISA-N 1 0 260.131 2.104 10 0 CEAERO Cc1cc(OCC[C@H]2CCC[N@H+]2C)nc(Cl)n1 ZINC000052814027 525371556 /nfs/dbraw/zinc/37/15/56/525371556.db2.gz ZURDMDQMCRKQQK-SNVBAGLBSA-N 1 0 255.749 2.302 10 0 CEAERO Cc1cc(SCc2cccc(C(N)=[NH2+])c2)n(C)n1 ZINC000052310082 525437650 /nfs/dbraw/zinc/43/76/50/525437650.db2.gz GFBHZDSCUYZZMW-UHFFFAOYSA-N 1 0 260.366 2.305 10 0 CEAERO C[C@H](NS(=O)(=O)c1ccc(C[NH3+])cc1)C1CCCCC1 ZINC000052341344 525506605 /nfs/dbraw/zinc/50/66/05/525506605.db2.gz VDFVBUJNXIVUFS-LBPRGKRZSA-N 1 0 296.436 2.392 10 0 CEAERO Cc1cc([C@](O)([C@@H](C)[NH3+])C(F)(F)F)ccc1F ZINC000062784454 525553655 /nfs/dbraw/zinc/55/36/55/525553655.db2.gz LPMPARGWTRFIQV-GMSGAONNSA-N 1 0 251.223 2.231 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCCS(=O)(=O)C1)c1ccccc1F ZINC000069136918 525556019 /nfs/dbraw/zinc/55/60/19/525556019.db2.gz IQUIZYLFAQYUPT-WDEREUQCSA-N 1 0 271.357 2.054 10 0 CEAERO CSC[C@@H](C)C[NH2+]Cc1cc(C(N)=O)ccc1F ZINC000069447440 525623727 /nfs/dbraw/zinc/62/37/27/525623727.db2.gz OBOPVZHZPSQUER-VIFPVBQESA-N 1 0 270.373 2.013 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCCS(=O)(=O)C1)c1ccc(F)cc1 ZINC000069135323 525636077 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525812848 /nfs/dbraw/zinc/81/28/48/525812848.db2.gz GFYFNXCAOLRGOE-UHFFFAOYSA-N 1 0 260.272 2.067 10 0 CEAERO COc1cccc(CC[NH3+])c1OCCOC(C)C ZINC000049261023 525892789 /nfs/dbraw/zinc/89/27/89/525892789.db2.gz HHWQXQNNGIPBBF-UHFFFAOYSA-N 1 0 253.342 2.000 10 0 CEAERO C[C@H](OC1CCC([NH3+])CC1)C(=O)Nc1ccccc1 ZINC000055142849 525895435 /nfs/dbraw/zinc/89/54/35/525895435.db2.gz BMABKXXQHITATF-DCBWTQNWSA-N 1 0 262.353 2.300 10 0 CEAERO Cc1cnc(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)cn1 ZINC000061321113 526040750 /nfs/dbraw/zinc/04/07/50/526040750.db2.gz HKQHSNLLVJYFDD-CQSZACIVSA-N 1 0 277.755 2.262 10 0 CEAERO Cc1ccc(C(=O)CN2CCC[C@H]2C[NH+](C)C)s1 ZINC000061645601 526047381 /nfs/dbraw/zinc/04/73/81/526047381.db2.gz DKROUNVWCUEIDU-LBPRGKRZSA-N 1 0 266.410 2.265 10 0 CEAERO Cc1ccc(C(=O)N(C)c2ccc(C[NH3+])cc2)c(C)n1 ZINC000055329948 526067524 /nfs/dbraw/zinc/06/75/24/526067524.db2.gz CERVQONMZQMAKO-UHFFFAOYSA-N 1 0 269.348 2.434 10 0 CEAERO COc1cccc(N(C)Cc2cccnc2C(N)=[NH2+])c1 ZINC000061658339 526131235 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526376396 /nfs/dbraw/zinc/37/63/96/526376396.db2.gz POTSSWMKVDZOMA-UHFFFAOYSA-N 1 0 263.366 2.235 10 0 CEAERO Fc1cccc(-c2noc(C[C@H]3CCC[NH2+]C3)n2)c1 ZINC000054301396 526381600 /nfs/dbraw/zinc/38/16/00/526381600.db2.gz HXCYPPYLEAYZIZ-SNVBAGLBSA-N 1 0 261.300 2.418 10 0 CEAERO c1cc(C[NH2+]C2CC2)nc(N2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000051485563 526425994 /nfs/dbraw/zinc/42/59/94/526425994.db2.gz QYZPENXPXTYHDV-LSDHHAIUSA-N 1 0 273.380 2.091 10 0 CEAERO O=C(CC[N@H+]1CCC[C@@H]1CCCO)NC1CCCCC1 ZINC000052762197 526486378 /nfs/dbraw/zinc/48/63/78/526486378.db2.gz PBKTZJQCMYOKBG-OAHLLOKOSA-N 1 0 282.428 2.062 10 0 CEAERO c1cn([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCCSC2)cn1 ZINC000061587559 526537127 /nfs/dbraw/zinc/53/71/27/526537127.db2.gz HUQORIXRZAPBHY-FRRDWIJNSA-N 1 0 251.399 2.462 10 0 CEAERO O=C(CCc1ccccc1)N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000051358655 526608009 /nfs/dbraw/zinc/60/80/09/526608009.db2.gz IHKDSGPMFAPSKQ-HOTGVXAUSA-N 1 0 272.392 2.362 10 0 CEAERO O=C(C[N@H+]1CCC[C@@H]1CCCO)N1CCCCCCC1 ZINC000052761949 526753073 /nfs/dbraw/zinc/75/30/73/526753073.db2.gz JGPYUGDYUPFWPK-OAHLLOKOSA-N 1 0 282.428 2.016 10 0 CEAERO NC(=[NH2+])c1c(Cl)cccc1OC[C@H]1CCCO1 ZINC000052906860 526819855 /nfs/dbraw/zinc/81/98/55/526819855.db2.gz GMKCOPVJVNJVJS-MRVPVSSYSA-N 1 0 254.717 2.182 10 0 CEAERO NC(=[NH2+])c1ccccc1Cn1ncc2ccccc21 ZINC000050526159 526824611 /nfs/dbraw/zinc/82/46/11/526824611.db2.gz HLYIQEYDPBSEIR-UHFFFAOYSA-N 1 0 250.305 2.369 10 0 CEAERO Cc1ncc(C[NH2+][C@H](C)c2ccc3c(c2)OCO3)[nH]1 ZINC000054821824 526893289 /nfs/dbraw/zinc/89/32/89/526893289.db2.gz YUPLGYKZSNHICL-SECBINFHSA-N 1 0 259.309 2.298 10 0 CEAERO Cc1nc(Cc2ncc(C[NH2+]C(C)C)cn2)cs1 ZINC000055296848 526928776 /nfs/dbraw/zinc/92/87/76/526928776.db2.gz JDUMGMBVUTUHTC-UHFFFAOYSA-N 1 0 262.382 2.330 10 0 CEAERO Clc1ccc(-n2cc(CCC[NH2+]C3CC3)cn2)nn1 ZINC000054670224 526937604 /nfs/dbraw/zinc/93/76/04/526937604.db2.gz GEQVOQBBFDZXBQ-UHFFFAOYSA-N 1 0 277.759 2.000 10 0 CEAERO Cc1nc(N(C)C2CCOCC2)sc1[C@@H](C)[NH3+] ZINC000054895968 526950124 /nfs/dbraw/zinc/95/01/24/526950124.db2.gz TZNGXBMCSHZXOJ-MRVPVSSYSA-N 1 0 255.387 2.086 10 0 CEAERO Clc1ccc(Cl)c(CN2CCC[NH2+]CC2)n1 ZINC000061630267 526953765 /nfs/dbraw/zinc/95/37/65/526953765.db2.gz SIJUZRXDNIPKQV-UHFFFAOYSA-N 1 0 260.168 2.184 10 0 CEAERO O=C1C[C@@H]([NH2+][C@@H]2CCCc3sccc32)C(=O)N1C1CC1 ZINC000061361946 527020975 /nfs/dbraw/zinc/02/09/75/527020975.db2.gz AJKSNWKFWLBHRG-VXGBXAGGSA-N 1 0 290.388 2.005 10 0 CEAERO NC(=O)c1cc(N[C@H]2CCCC[C@H]2[NH3+])nc2ccccc21 ZINC000068770792 527032617 /nfs/dbraw/zinc/03/26/17/527032617.db2.gz SYMMUFYCVJLUJR-OCCSQVGLSA-N 1 0 284.363 2.016 10 0 CEAERO NC(=S)CCCCN1CCC([NH+]2CCCCC2)CC1 ZINC000049582735 527107999 /nfs/dbraw/zinc/10/79/99/527107999.db2.gz ZQRLCPQJTKHAKQ-UHFFFAOYSA-N 1 0 283.485 2.393 10 0 CEAERO NC(=S)c1ccc([C@@H](O)C[NH+]2Cc3ccccc3C2)cc1 ZINC000050911344 527120889 /nfs/dbraw/zinc/12/08/89/527120889.db2.gz UAEZAQWSCIGTQW-INIZCTEOSA-N 1 0 298.411 2.370 10 0 CEAERO Cc1nc2cc(N)ccc2n1CC[NH+]1CCCCC1 ZINC000052854108 527122425 /nfs/dbraw/zinc/12/24/25/527122425.db2.gz PCSLYSMJRNSHHY-UHFFFAOYSA-N 1 0 258.369 2.413 10 0 CEAERO Cc1nc2cc(N)ccc2n1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000052854410 527124119 /nfs/dbraw/zinc/12/41/19/527124119.db2.gz NEECZWUJFRQFCX-CYBMUJFWSA-N 1 0 256.353 2.336 10 0 CEAERO [NH3+]CC[C@H](Sc1nnc2ccccn21)C(F)(F)F ZINC000061407269 527193671 /nfs/dbraw/zinc/19/36/71/527193671.db2.gz CXZMIDSGVBWBDH-ZETCQYMHSA-N 1 0 276.287 2.101 10 0 CEAERO [NH3+]CCc1ccc(CNC(=O)c2cccc(F)c2)cc1 ZINC000052898928 527196796 /nfs/dbraw/zinc/19/67/96/527196796.db2.gz MDTOQQFEMANPNU-UHFFFAOYSA-N 1 0 272.323 2.257 10 0 CEAERO [NH3+]CCc1cccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000053662879 527197629 /nfs/dbraw/zinc/19/76/29/527197629.db2.gz MIZRTBBTTKXTRJ-DLBZAZTESA-N 1 0 280.371 2.474 10 0 CEAERO [NH3+]C[C@@H](Oc1cccc(F)c1F)c1cccnc1 ZINC000062612767 527206088 /nfs/dbraw/zinc/20/60/88/527206088.db2.gz IOFAJNANAOBZDX-GFCCVEGCSA-N 1 0 250.248 2.439 10 0 CEAERO Cc1nc2sccn2c1C[NH2+][C@@H]1CCCC[C@@H]1O ZINC000051998749 527212419 /nfs/dbraw/zinc/21/24/19/527212419.db2.gz BFOJHWRJTWOWIU-PWSUYJOCSA-N 1 0 265.382 2.097 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(OCC2CC2)cc1 ZINC000157769312 527214107 /nfs/dbraw/zinc/21/41/07/527214107.db2.gz UQRAACJYKYCQTA-HOCLYGCPSA-N 1 0 288.391 2.333 10 0 CEAERO [NH3+]C[C@@]1(Cc2sccc2Br)CCOC1 ZINC000054637735 527222227 /nfs/dbraw/zinc/22/22/27/527222227.db2.gz GSKLGZQNAZZXDJ-JTQLQIEISA-N 1 0 276.199 2.419 10 0 CEAERO [NH3+]C[C@H](c1cc2ccccc2o1)N1CCN(C2CC2)CC1 ZINC000068811516 527228681 /nfs/dbraw/zinc/22/86/81/527228681.db2.gz MCZKJBFNIGPPCV-OAHLLOKOSA-N 1 0 285.391 2.213 10 0 CEAERO [NH3+]Cc1c(Cl)cccc1Sc1nnnn1C1CC1 ZINC000052905441 527243895 /nfs/dbraw/zinc/24/38/95/527243895.db2.gz JSAYGIVXWKBGIP-UHFFFAOYSA-N 1 0 281.772 2.271 10 0 CEAERO [NH3+]Cc1cc2c(nc1-n1ccc(C3CC3)n1)CCC2 ZINC000052855709 527250678 /nfs/dbraw/zinc/25/06/78/527250678.db2.gz VQFKCKSFLCWBAO-UHFFFAOYSA-N 1 0 254.337 2.092 10 0 CEAERO [NH3+]Cc1ccc(NC(=O)c2cccc3cccnc32)nc1 ZINC000061410580 527256652 /nfs/dbraw/zinc/25/66/52/527256652.db2.gz QCFHTZUBRAPHHK-UHFFFAOYSA-N 1 0 278.315 2.341 10 0 CEAERO [NH3+]Cc1ccccc1CNC(=O)Cc1ccc(F)cc1 ZINC000061840981 527261154 /nfs/dbraw/zinc/26/11/54/527261154.db2.gz YSCTWOKTJAWSEE-UHFFFAOYSA-N 1 0 272.323 2.143 10 0 CEAERO [NH3+]Cc1ccccc1NC(=O)COc1cc(F)cc(F)c1 ZINC000054932536 527261200 /nfs/dbraw/zinc/26/12/00/527261200.db2.gz IKJVYCHKBLGLBB-UHFFFAOYSA-N 1 0 292.285 2.441 10 0 CEAERO [NH3+]Cc1ccnc(N2CCCc3ccccc3C2)c1 ZINC000062944092 527262525 /nfs/dbraw/zinc/26/25/25/527262525.db2.gz JKKDAEONJFEZEG-UHFFFAOYSA-N 1 0 253.349 2.493 10 0 CEAERO [NH3+]Cc1ncccc1COc1ccc(F)c(F)c1 ZINC000061657617 527266374 /nfs/dbraw/zinc/26/63/74/527266374.db2.gz ZXDNDGSUMTXJNE-UHFFFAOYSA-N 1 0 250.248 2.398 10 0 CEAERO [NH3+]Cc1ncccc1COc1cccc(F)c1F ZINC000062613104 527267581 /nfs/dbraw/zinc/26/75/81/527267581.db2.gz NOSSYLCTHAZWLL-UHFFFAOYSA-N 1 0 250.248 2.398 10 0 CEAERO [NH3+]Cc1sc2cccc(F)c2c1Cn1cncn1 ZINC000052575112 527268208 /nfs/dbraw/zinc/26/82/08/527268208.db2.gz NTDVJUVOXGQKTP-UHFFFAOYSA-N 1 0 262.313 2.139 10 0 CEAERO NNc1[nH+]cccc1COc1ccc(F)c(F)c1 ZINC000052730092 527287972 /nfs/dbraw/zinc/28/79/72/527287972.db2.gz CDDCWTMOFNTGDG-UHFFFAOYSA-N 1 0 251.236 2.224 10 0 CEAERO O=S1(=O)CCC[C@@H]([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000069136768 527301234 /nfs/dbraw/zinc/30/12/34/527301234.db2.gz ZMXMPRWXUDUKIP-HBNTYKKESA-N 1 0 299.358 2.274 10 0 CEAERO [NH3+][C@@H](CC[C@@H]1CCCCO1)c1ccc2c(c1)NC(=O)CO2 ZINC000069389824 527330439 /nfs/dbraw/zinc/33/04/39/527330439.db2.gz XDLHIFCCRPBYCS-STQMWFEESA-N 1 0 290.363 2.367 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@@H]1NC(=O)c1ccc(F)c(F)c1 ZINC000063211360 527341198 /nfs/dbraw/zinc/34/11/98/527341198.db2.gz NAHZGGBMXPYUJI-OLZOCXBDSA-N 1 0 268.307 2.355 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@@H]1NC(=O)c1ccccc1F ZINC000063212029 527341836 /nfs/dbraw/zinc/34/18/36/527341836.db2.gz QFSBFGSJFWPPFN-OLZOCXBDSA-N 1 0 250.317 2.216 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Cc3cccc(Cl)c3)C[C@@H]2C1 ZINC000052945280 527366328 /nfs/dbraw/zinc/36/63/28/527366328.db2.gz QZIZWBMRLWGZRR-VNHYZAJKSA-N 1 0 292.810 2.468 10 0 CEAERO [NH3+][C@H](Cc1cccnc1)c1ccc2c(c1)OCCO2 ZINC000055228879 527389344 /nfs/dbraw/zinc/38/93/44/527389344.db2.gz DFCOZNLYUMOOCI-CYBMUJFWSA-N 1 0 256.305 2.095 10 0 CEAERO [NH3+][C@H](Cc1ccncc1)c1ccc2c(c1)OCCO2 ZINC000055229124 527390040 /nfs/dbraw/zinc/39/00/40/527390040.db2.gz RUCNIGLXLZTMGW-CYBMUJFWSA-N 1 0 256.305 2.095 10 0 CEAERO [NH3+][C@H](c1ccccc1)[C@H](O)c1ccc2c(c1)CCO2 ZINC000054681992 527392029 /nfs/dbraw/zinc/39/20/29/527392029.db2.gz MVPKUYUFMCYWBS-HZPDHXFCSA-N 1 0 255.317 2.355 10 0 CEAERO Cc1nccn1CCOc1cc(F)ccc1[C@H](C)[NH3+] ZINC000062745141 527433012 /nfs/dbraw/zinc/43/30/12/527433012.db2.gz MAICJIWALKFMPU-JTQLQIEISA-N 1 0 263.316 2.429 10 0 CEAERO Cn1ccnc1N(CCC[NH3+])C1CCCCCC1 ZINC000050605341 527445333 /nfs/dbraw/zinc/44/53/33/527445333.db2.gz FEDOGYAMYVWVHJ-UHFFFAOYSA-N 1 0 250.390 2.298 10 0 CEAERO Nc1cc(F)c(NCC[NH+]2CCCCC2)c(F)c1 ZINC000049574722 527453924 /nfs/dbraw/zinc/45/39/24/527453924.db2.gz HZRMLWXVSXIWQL-UHFFFAOYSA-N 1 0 255.312 2.445 10 0 CEAERO O=c1cnn(CC[NH2+]Cc2ccccc2)c2ccccc12 ZINC000053532876 527493966 /nfs/dbraw/zinc/49/39/66/527493966.db2.gz XHLIZPODPWISGJ-UHFFFAOYSA-N 1 0 279.343 2.186 10 0 CEAERO O=C(Nc1nc2c(s1)CCC2)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000049547734 527511277 /nfs/dbraw/zinc/51/12/77/527511277.db2.gz GZBINPOAOIRKKZ-JBLDHEPKSA-N 1 0 291.420 2.491 10 0 CEAERO Nc1nc(C[N@H+](CCO)C2CCCC2)nc2sccc21 ZINC000050816372 527551088 /nfs/dbraw/zinc/55/10/88/527551088.db2.gz PKNQYKRQJOKWLO-UHFFFAOYSA-N 1 0 292.408 2.010 10 0 CEAERO Cn1nccc1[C@@H]([NH3+])Cc1ccc(Br)cc1 ZINC000069020410 527622762 /nfs/dbraw/zinc/62/27/62/527622762.db2.gz FQQIPNAGVPNKKE-NSHDSACASA-N 1 0 280.169 2.425 10 0 CEAERO FC(F)(F)CN1CC[NH2+][C@H](C2CCCCC2)C1 ZINC000068693796 527667756 /nfs/dbraw/zinc/66/77/56/527667756.db2.gz YFXCWCOUKSIQIO-NSHDSACASA-N 1 0 250.308 2.403 10 0 CEAERO Cc1nn(C)c(N(C)[C@H]2CCSC2)c1C[NH2+]CC(C)C ZINC000062735526 527670285 /nfs/dbraw/zinc/67/02/85/527670285.db2.gz JXQRTGWGEHOPSR-ZDUSSCGKSA-N 1 0 296.484 2.416 10 0 CEAERO CCc1cccc(CC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000178539323 529160648 /nfs/dbraw/zinc/16/06/48/529160648.db2.gz XBLADJCBCFCQQO-MRXNPFEDSA-N 1 0 272.392 2.098 10 0 CEAERO CCS(=O)(=O)c1ccccc1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000093213808 529173350 /nfs/dbraw/zinc/17/33/50/529173350.db2.gz PUYWWLKZTGAPQN-RYUDHWBXSA-N 1 0 282.409 2.162 10 0 CEAERO CC[C@H]1CN(CCc2scnc2C)CC[N@@H+]1CCOC ZINC000172535585 529294946 /nfs/dbraw/zinc/29/49/46/529294946.db2.gz JUCPXTIIHUYZTL-AWEZNQCLSA-N 1 0 297.468 2.037 10 0 CEAERO CC(C)C[NH+]1CCN(c2ccc([C@@H](C)O)c(O)c2)CC1 ZINC000093672551 535105493 /nfs/dbraw/zinc/10/54/93/535105493.db2.gz OPAIFUUXDQWDHN-CYBMUJFWSA-N 1 0 278.396 2.224 10 0 CEAERO CC[NH2+]CC1CCN(c2ncnc(OCC)c2C)CC1 ZINC000090789870 535461308 /nfs/dbraw/zinc/46/13/08/535461308.db2.gz NOZKZIKOSGUVKS-UHFFFAOYSA-N 1 0 278.400 2.010 10 0 CEAERO CC[C@@H]1C[NH2+]CCN1c1ncccc1Br ZINC000082476635 535825423 /nfs/dbraw/zinc/82/54/23/535825423.db2.gz RSSKNVDTLXLSNR-SECBINFHSA-N 1 0 270.174 2.032 10 0 CEAERO C[NH2+][C@@H](C)c1c(F)cccc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090906363 536351027 /nfs/dbraw/zinc/35/10/27/536351027.db2.gz VJVQNOZPDRMHEO-SDDRHHMPSA-N 1 0 264.344 2.474 10 0 CEAERO C[NH2+][C@H]1CCCN(c2c(C)cccc2Cl)C1=O ZINC000090535796 536415054 /nfs/dbraw/zinc/41/50/54/536415054.db2.gz ICEYUOAQPLWWQK-NSHDSACASA-N 1 0 252.745 2.363 10 0 CEAERO C[NH2+][C@H]1CCCN(c2ccc(Br)cn2)C1 ZINC000053204915 536415581 /nfs/dbraw/zinc/41/55/81/536415581.db2.gz AVOCNMDXYHKRON-JTQLQIEISA-N 1 0 270.174 2.032 10 0 CEAERO COc1cccc2c1N(C(=O)[C@@H]1CCCC[C@@H]1[NH3+])CCC2 ZINC000085369548 536958792 /nfs/dbraw/zinc/95/87/92/536958792.db2.gz MJEMVNJSIGRPRA-KGLIPLIRSA-N 1 0 288.391 2.492 10 0 CEAERO Cn1nc(Br)cc1[C@H]1[NH2+]CCc2ccsc21 ZINC000712514935 538752058 /nfs/dbraw/zinc/75/20/58/538752058.db2.gz IVFUPIYLXDVBCS-SNVBAGLBSA-N 1 0 298.209 2.479 10 0 CEAERO COc1ccc([C@H](C)NC(=O)[C@@]2(C)CCC[NH2+]2)cc1OC ZINC000079545602 538887644 /nfs/dbraw/zinc/88/76/44/538887644.db2.gz CQGBKZIDUNUHNF-MEDUHNTESA-N 1 0 292.379 2.023 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000675059559 570365673 /nfs/dbraw/zinc/36/56/73/570365673.db2.gz IWPNGNLXWLBTBK-AVGNSLFASA-N 1 0 268.401 2.489 10 0 CEAERO CC(C)(C)[NH2+]C[C@H](O)COc1cccc2c1CCC[C@H]2O ZINC000005352925 560201401 /nfs/dbraw/zinc/20/14/01/560201401.db2.gz LGXDICLRWHYEIS-SWLSCSKDSA-N 1 0 293.407 2.184 10 0 in-vitro CEAERO CC(C)Cc1cncc(SC[C@@H]2C[NH2+]CCO2)c1 ZINC000757214584 574513004 /nfs/dbraw/zinc/51/30/04/574513004.db2.gz UALHSYMTLDWHBA-ZDUSSCGKSA-N 1 0 266.410 2.361 10 0 CEAERO CC1(C)CC2(CC(C)(C)[NH2+]1)NCC1(CCC1)CO2 ZINC000757149045 574510581 /nfs/dbraw/zinc/51/05/81/574510581.db2.gz WCCZBCZMXXJSHW-UHFFFAOYSA-N 1 0 252.402 2.413 10 0 CEAERO CC(C)(C)C[C@H]([NH3+])CS(=O)(=O)N1CCC(C)(C)CC1 ZINC000757150726 574510781 /nfs/dbraw/zinc/51/07/81/574510781.db2.gz IALKBXOMZLHAGY-LBPRGKRZSA-N 1 0 290.473 2.202 10 0 CEAERO CCCN(CCC)S(=O)(=O)C[C@H]([NH3+])C1CCCCC1 ZINC000757152410 574510869 /nfs/dbraw/zinc/51/08/69/574510869.db2.gz LTRMPZJEOSWJBB-AWEZNQCLSA-N 1 0 290.473 2.346 10 0 CEAERO Cc1nn(C)c2sc([C@@H]3CC[C@H]([NH3+])[C@@H](C)N3)cc12 ZINC000757216559 574513278 /nfs/dbraw/zinc/51/32/78/574513278.db2.gz QIASVOUDHOVFTF-MIMYLULJSA-N 1 0 264.398 2.084 10 0 CEAERO OCCN1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2F)C1 ZINC000384734022 574842131 /nfs/dbraw/zinc/84/21/31/574842131.db2.gz PSALTNZRJVJSLG-CYBMUJFWSA-N 1 0 286.778 2.025 10 0 CEAERO CC1(C)CCC(C[NH2+][C@H]2CCCN(CCO)C2)CC1 ZINC000384720940 574842221 /nfs/dbraw/zinc/84/22/21/574842221.db2.gz NXTBGKVIUFUKPK-HNNXBMFYSA-N 1 0 268.445 2.249 10 0 CEAERO CO[C@H]1C=CC2=CC[N@@H+]3CCc4cc5c(cc4[C@]23C1)OCO5 ZINC000053194131 571770424 /nfs/dbraw/zinc/77/04/24/571770424.db2.gz TVOFUERNMZTYRM-KSSFIOAISA-N 1 0 297.354 2.384 10 0 endogenous,in-man CEAERO C[NH2+][C@H](C)CNC(=O)Nc1ccc(C)c(Cl)c1 ZINC000261555521 628937727 /nfs/dbraw/zinc/93/77/27/628937727.db2.gz PVDZQLKJULNRSX-SECBINFHSA-N 1 0 255.749 2.378 10 0 CEAERO C[N@@H+](Cc1ncc[nH]1)C[C@@H]1CCOc2ccccc2C1 ZINC000095511164 625491504 /nfs/dbraw/zinc/49/15/04/625491504.db2.gz GVLAWIUYEPINAX-CYBMUJFWSA-N 1 0 271.364 2.483 10 0 CEAERO CC(C)(C)c1nn(CN2CC[N@@H+]3CCC[C@H]3C2)c(=S)o1 ZINC000246878208 622622476 /nfs/dbraw/zinc/62/24/76/622622476.db2.gz ATZQYEHPSWKVON-NSHDSACASA-N 1 0 296.440 2.241 10 0 CEAERO CC(C)(C)[C@@H]([NH3+])Cc1nc(N2C[C@@H]3CCC[C@@H]3C2)no1 ZINC000757121362 622766495 /nfs/dbraw/zinc/76/64/95/622766495.db2.gz ANVTVEWRICMZJW-TUAOUCFPSA-N 1 0 278.400 2.222 10 0 CEAERO C[NH2+]CCc1noc(-c2csc(Br)c2)n1 ZINC000234391406 622842392 /nfs/dbraw/zinc/84/23/92/622842392.db2.gz JSNOXHCWEWJLMR-UHFFFAOYSA-N 1 0 288.170 2.323 10 0 CEAERO [NH3+]C[C@@H]1CC(=O)Nc2c(Cl)cc(Br)cc21 ZINC000757176075 622952742 /nfs/dbraw/zinc/95/27/42/622952742.db2.gz XHHIRXMSQWQHGD-YFKPBYRVSA-N 1 0 289.560 2.487 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cn1ccc(C(F)(F)F)n1 ZINC000177162189 625621389 /nfs/dbraw/zinc/62/13/89/625621389.db2.gz JOLXYMBUHPZOMN-NSHDSACASA-N 1 0 290.333 2.276 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cn1nccc1-c1ccncc1 ZINC000177163910 625626542 /nfs/dbraw/zinc/62/65/42/625626542.db2.gz GVYCEDMWBRMPKN-INIZCTEOSA-N 1 0 299.422 2.319 10 0 CEAERO COc1cc(OC)c(C[NH2+][C@@H]2CCCC[C@H]2O)c(OC)c1 ZINC000051995846 625629384 /nfs/dbraw/zinc/62/93/84/625629384.db2.gz OZQXQHQEJMWEDV-ZIAGYGMSSA-N 1 0 295.379 2.106 10 0 CEAERO Cc1cc(N2CC[C@@H]([NH3+])[C@@H]2C)ncc1Br ZINC000261537178 623356338 /nfs/dbraw/zinc/35/63/38/623356338.db2.gz VCNPNOVEUMWIBD-WCBMZHEXSA-N 1 0 270.174 2.078 10 0 CEAERO c1ccc2c(c1)OCC[C@H]2c1noc([C@@H]2CC[NH2+]C2)n1 ZINC000087996308 623409199 /nfs/dbraw/zinc/40/91/99/623409199.db2.gz WBYKTPYQOPWAMN-ZYHUDNBSSA-N 1 0 271.320 2.061 10 0 CEAERO Cc1csc(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)c1Cl ZINC000235635215 625682430 /nfs/dbraw/zinc/68/24/30/625682430.db2.gz SHUOVKXUEQTDSV-XPUUQOCRSA-N 1 0 258.774 2.129 10 0 CEAERO CC(C)(C)OC(=O)NC1CC(C[N@@H+]2CCCOCC2)C1 ZINC000891719567 623925399 /nfs/dbraw/zinc/92/53/99/623925399.db2.gz GUABLBYHSJADIW-UHFFFAOYSA-N 1 0 284.400 2.012 10 0 CEAERO C[C@@H]([NH2+]Cc1c(F)cccc1Br)[C@H](C)O ZINC000309055296 624490524 /nfs/dbraw/zinc/49/05/24/624490524.db2.gz UCXICHKPKPUNJQ-SFYZADRCSA-N 1 0 276.149 2.447 10 0 CEAERO C[C@H](CC[NH2+]C[C@H]1CC(=O)N(C)C1)c1ccccc1 ZINC000668616273 624519523 /nfs/dbraw/zinc/51/95/23/624519523.db2.gz LDDJUMBHOCJBPB-ZIAGYGMSSA-N 1 0 260.381 2.248 10 0 CEAERO C[NH2+]CCc1noc(C23CC4CC(CC(C4)C2)C3)n1 ZINC000051850769 624622484 /nfs/dbraw/zinc/62/24/84/624622484.db2.gz AFNUCMBHYKUONX-UHFFFAOYSA-N 1 0 261.369 2.299 10 0 CEAERO C[C@@H]1CN(Cc2ccc(F)c3cccnc23)C[C@@H]1[NH3+] ZINC000235393624 624719653 /nfs/dbraw/zinc/71/96/53/624719653.db2.gz AAVLFIXLSAMMIQ-YGRLFVJLSA-N 1 0 259.328 2.153 10 0 CEAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1cnn(C)n1 ZINC000311093608 627365218 /nfs/dbraw/zinc/36/52/18/627365218.db2.gz RMNCYKUZFTVEKR-XBFCOCLRSA-N 1 0 250.390 2.366 10 0 CEAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(F)cc1C ZINC000166532643 627641168 /nfs/dbraw/zinc/64/11/68/627641168.db2.gz BKKGWVKMPYMBOP-OLZOCXBDSA-N 1 0 251.301 2.000 10 0 CEAERO COc1ccc(C[NH2+][C@H](C)[C@H](C)O)c(Br)c1 ZINC000309912563 628141591 /nfs/dbraw/zinc/14/15/91/628141591.db2.gz NOCKCJTXRYNXNV-BDAKNGLRSA-N 1 0 288.185 2.317 10 0 CEAERO C[C@@H](CCC(C)(C)C)[NH2+]C1CCN(CCO)CC1 ZINC000399192885 628782586 /nfs/dbraw/zinc/78/25/86/628782586.db2.gz QQRMIHRXUMYTJG-ZDUSSCGKSA-N 1 0 256.434 2.248 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)Nc1ccc(Br)nc1 ZINC000225813492 628895713 /nfs/dbraw/zinc/89/57/13/628895713.db2.gz VGFZEKGGTADAEY-SECBINFHSA-N 1 0 286.173 2.156 10 0 CEAERO C[C@H]1CN(Cc2ccccc2Br)C[C@H]1[NH3+] ZINC000261531396 628934265 /nfs/dbraw/zinc/93/42/65/628934265.db2.gz GHUSZJFTEGZKCS-JOYOIKCWSA-N 1 0 269.186 2.228 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000261549731 628937265 /nfs/dbraw/zinc/93/72/65/628937265.db2.gz JJPHPMLFENEJMN-AAVRWANBSA-N 1 0 252.402 2.317 10 0 CEAERO C[C@H]1C[C@@H](C[NH3+])CN1c1ccnc(C(F)(F)F)c1 ZINC000261566914 628940575 /nfs/dbraw/zinc/94/05/75/628940575.db2.gz IIFGOPJEHAKPGX-IUCAKERBSA-N 1 0 259.275 2.274 10 0 CEAERO Clc1cncnc1NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000261586343 628941045 /nfs/dbraw/zinc/94/10/45/628941045.db2.gz IUVZLLPLMXKHFL-ZDUSSCGKSA-N 1 0 274.755 2.429 10 0 CEAERO Cc1ccc2cc(CN3CC[C@@H]([NH3+])[C@@H]3C)ccc2n1 ZINC000261579091 628941523 /nfs/dbraw/zinc/94/15/23/628941523.db2.gz DNONNLKSCZEPGE-SWLSCSKDSA-N 1 0 255.365 2.465 10 0 CEAERO CCN(c1nccc(C)c1Br)[C@@H]1CC[NH2+]C1 ZINC000233490148 628954852 /nfs/dbraw/zinc/95/48/52/628954852.db2.gz XUQQZNKFZKIAGZ-SNVBAGLBSA-N 1 0 284.201 2.341 10 0 CEAERO CC(C)[C@H](C)NC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2[NH2+]1 ZINC000251277793 628955451 /nfs/dbraw/zinc/95/54/51/628955451.db2.gz CUZOPYWIAAMGES-DGAVXFQQSA-N 1 0 252.402 2.458 10 0 CEAERO CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000237006461 629149366 /nfs/dbraw/zinc/14/93/66/629149366.db2.gz WWNWPQAXZXLJKN-KBMXLJTQSA-N 1 0 290.407 2.396 10 0 CEAERO Cc1cc([C@@H]2CCCN2C(=O)CC[C@H]2CCC[NH2+]2)on1 ZINC000261758720 629184689 /nfs/dbraw/zinc/18/46/89/629184689.db2.gz NMYIIAFKXAKNTQ-OLZOCXBDSA-N 1 0 277.368 2.179 10 0 CEAERO CCC[C@@H](C)C[NH+]1CCC([N@H+](CC)CC(=O)[O-])CC1 ZINC000263487455 631444966 /nfs/dbraw/zinc/44/49/66/631444966.db2.gz HRSWJIHHLANGHW-CYBMUJFWSA-N 1 0 270.417 2.294 10 0 CEAERO CCOC(=O)CCc1nc([C@]2([NH3+])CC(C)(C)C[C@H]2C)no1 ZINC000757183685 631830195 /nfs/dbraw/zinc/83/01/95/631830195.db2.gz SAUCJQBXYWXFNF-BMIGLBTASA-N 1 0 295.383 2.175 10 0 CEAERO [NH3+]C[C@@]12CC[C@@H](C[C@@H]1NC(=O)OCc1ccccc1)C2 ZINC000757207415 631836018 /nfs/dbraw/zinc/83/60/18/631836018.db2.gz AVXZBKKBFGCWTG-DZKIICNBSA-N 1 0 274.364 2.430 10 0 CEAERO Cc1sc([C@@H]2[NH2+][C@H](C)CC[C@@H]2C[NH3+])cc1C(=O)[O-] ZINC000757238175 631838528 /nfs/dbraw/zinc/83/85/28/631838528.db2.gz RNKSFGIKYZDPHW-JWKOBGCHSA-N 1 0 268.382 2.143 10 0 CEAERO COCC[N@H+](C)C[C@@H](O)c1ccc2ccccc2c1 ZINC000042256241 632933629 /nfs/dbraw/zinc/93/36/29/632933629.db2.gz QOOJGPDWVWJPCC-MRXNPFEDSA-N 1 0 259.349 2.451 10 0 CEAERO C[NH+]1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 ZINC000067821781 634243278 /nfs/dbraw/zinc/24/32/78/634243278.db2.gz JPWYTZFNCLHWKL-UHFFFAOYSA-N 1 0 294.402 2.384 10 0 CEAERO CCCOc1ccnc(N[C@H](C)[C@@H]2CCC[NH2+]C2)n1 ZINC000164787319 639395686 /nfs/dbraw/zinc/39/56/86/639395686.db2.gz ZNLIXZOSJRXPRS-VXGBXAGGSA-N 1 0 264.373 2.065 10 0 CEAERO CCCOc1ccnc(NCc2ccc(C[NH3+])cc2F)n1 ZINC000226635120 639559460 /nfs/dbraw/zinc/55/94/60/639559460.db2.gz YKDXXOKQHDDEEN-UHFFFAOYSA-N 1 0 290.342 2.475 10 0 CEAERO CCCOc1ccnc(NC[C@H]([NH3+])c2ccccc2)n1 ZINC000226654409 639561624 /nfs/dbraw/zinc/56/16/24/639561624.db2.gz GWGVGEBKKMWURU-ZDUSSCGKSA-N 1 0 272.352 2.377 10 0 CEAERO Cc1cc(C(=O)N2C[C@H]3CCCC[N@H+]3C[C@H]2C)ccc1N ZINC000227399506 639588515 /nfs/dbraw/zinc/58/85/15/639588515.db2.gz ZPANATIBQKLSGP-UKRRQHHQSA-N 1 0 287.407 2.276 10 0 CEAERO CO[C@@H]1C[C@H]([NH2+]C[C@@](C)(O)c2ccccc2)C1(C)C ZINC000227790725 639605504 /nfs/dbraw/zinc/60/55/04/639605504.db2.gz XLEZTRJLBGYQMK-SQWLQELKSA-N 1 0 263.381 2.297 10 0 CEAERO C[C@@H]([NH3+])C[C@@H](C)Nc1ccccc1S(=O)(=O)C(F)F ZINC000228270062 639627113 /nfs/dbraw/zinc/62/71/13/639627113.db2.gz HHQJLULFLDEYNL-RKDXNWHRSA-N 1 0 292.351 2.221 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1cccc2cccnc21 ZINC000061883744 639727116 /nfs/dbraw/zinc/72/71/16/639727116.db2.gz YXHZCNWGNFDWNN-OCCSQVGLSA-N 1 0 269.348 2.092 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccccc1F ZINC000061884358 639727446 /nfs/dbraw/zinc/72/74/46/639727446.db2.gz KGRVXPVRSCKIIG-ONGXEEELSA-N 1 0 251.305 2.075 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(F)cc1 ZINC000061884361 639727601 /nfs/dbraw/zinc/72/76/01/639727601.db2.gz UVMXTVXUIVGHTJ-SKDRFNHKSA-N 1 0 251.305 2.075 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)c2cc(Cl)nc(Cl)c2)C1 ZINC000062969328 639803362 /nfs/dbraw/zinc/80/33/62/639803362.db2.gz RLZIMWMDKCUNLN-VIFPVBQESA-N 1 0 288.178 2.165 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]CCc2ccnn2C)c1C ZINC000231035624 639823398 /nfs/dbraw/zinc/82/33/98/639823398.db2.gz ICCHJGCMGJLGAO-NSHDSACASA-N 1 0 275.400 2.147 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1Cc1cc(Cl)c2c(c1)OCCO2 ZINC000261637013 640067898 /nfs/dbraw/zinc/06/78/98/640067898.db2.gz WONZJENXQWWUOZ-JOYOIKCWSA-N 1 0 282.771 2.033 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1c1nc(C2CCOCC2)no1 ZINC000089383713 640359787 /nfs/dbraw/zinc/35/97/87/640359787.db2.gz NDKZTTRSMPFAMG-RYUDHWBXSA-N 1 0 265.357 2.196 10 0 CEAERO CC(C)[C@@H]([NH3+])Cc1nc(-c2ccc3nccnc3c2)no1 ZINC000070433803 641665802 /nfs/dbraw/zinc/66/58/02/641665802.db2.gz HALGEZKAYWLIIV-NSHDSACASA-N 1 0 283.335 2.206 10 0 CEAERO [NH3+][C@H]1CCC[C@H](C(=O)Nc2ccc3c[nH]nc3c2)C1 ZINC000070575286 641680010 /nfs/dbraw/zinc/68/00/10/641680010.db2.gz CYKCLTATXBRPGF-ONGXEEELSA-N 1 0 258.325 2.019 10 0 CEAERO C[NH2+][C@H]1CCCN(c2ncc(Br)cc2C)C1 ZINC000086708448 643380253 /nfs/dbraw/zinc/38/02/53/643380253.db2.gz UPQVBJOUMFQODI-NSHDSACASA-N 1 0 284.201 2.341 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC(C(C)(C)C)CC1 ZINC000111272278 643756660 /nfs/dbraw/zinc/75/66/60/643756660.db2.gz WJDGCKYKXXOMGB-DGCLKSJQSA-N 1 0 252.402 2.127 10 0 CEAERO COC1CC([NH2+]Cc2cc3ccccc3[nH]c2=O)C1 ZINC000230690911 643792331 /nfs/dbraw/zinc/79/23/31/643792331.db2.gz NQUZBSDITKOTGM-UHFFFAOYSA-N 1 0 258.321 2.207 10 0 CEAERO C[NH2+]C[C@@H]1CCCN1c1ncnc2sc(C)cc21 ZINC000113248873 644307972 /nfs/dbraw/zinc/30/79/72/644307972.db2.gz LWVNAGCBDXHUKF-JTQLQIEISA-N 1 0 262.382 2.188 10 0 CEAERO Cc1cc2c(NCc3ccc(CC[NH3+])cc3)nccn2n1 ZINC000129769940 652164539 /nfs/dbraw/zinc/16/45/39/652164539.db2.gz PHFQSGLWVXBSEP-UHFFFAOYSA-N 1 0 281.363 2.151 10 0 CEAERO CC[C@@H](CCO)[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000134390765 652831431 /nfs/dbraw/zinc/83/14/31/652831431.db2.gz QZLDAACZORMQRT-STQMWFEESA-N 1 0 291.313 2.489 10 0 CEAERO CCC[C@H](O)C[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000134406981 652836567 /nfs/dbraw/zinc/83/65/67/652836567.db2.gz IBJOGQVTFGUGTF-STQMWFEESA-N 1 0 291.313 2.489 10 0 CEAERO C[NH2+][C@@H](C)CCCS(=O)(=O)Cc1ccccc1C ZINC000081984553 177912214 /nfs/dbraw/zinc/91/22/14/177912214.db2.gz ZYZPZWAUZDYLKF-ZDUSSCGKSA-N 1 0 269.410 2.298 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(OC)c(C[S@](=O)CCCOC)c1 ZINC000081998046 177916025 /nfs/dbraw/zinc/91/60/25/177916025.db2.gz IIGNBTOVQJRBCY-YUNKPMOVSA-N 1 0 299.436 2.261 10 0 CEAERO C[C@H]([NH3+])C(=O)Nc1n[nH]cc1-c1ccc(Cl)cc1 ZINC000082256025 177928640 /nfs/dbraw/zinc/92/86/40/177928640.db2.gz PGOMXXOXTXVIAT-ZETCQYMHSA-N 1 0 264.716 2.016 10 0 CEAERO O[C@H](C[C@@H]1CCC[N@@H+]1CCC1OCCO1)c1ccccc1 ZINC000124491080 187139612 /nfs/dbraw/zinc/13/96/12/187139612.db2.gz CNXBICPVWKULNQ-JKSUJKDBSA-N 1 0 291.391 2.338 10 0 CEAERO Cc1nc2ccccc2nc1N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261830061 282088952 /nfs/dbraw/zinc/08/89/52/282088952.db2.gz UPQGOXRSMADXGT-QWHCGFSZSA-N 1 0 268.364 2.126 10 0 CEAERO O=C(CN1CC[NH2+]CC1)c1cccc(Cl)c1Cl ZINC000082578290 178118542 /nfs/dbraw/zinc/11/85/42/178118542.db2.gz VPVPYXQXYQHHLG-UHFFFAOYSA-N 1 0 273.163 2.081 10 0 CEAERO Cc1ccn(-c2cc(Br)ccc2CC[NH3+])n1 ZINC000082612089 178125895 /nfs/dbraw/zinc/12/58/95/178125895.db2.gz SJRAJKBTVDPNDP-UHFFFAOYSA-N 1 0 280.169 2.444 10 0 CEAERO Cc1noc([C@@H](C)N2CC[NH+](C[C@H]3CC=CCC3)CC2)n1 ZINC000121257002 365542074 /nfs/dbraw/zinc/54/20/74/365542074.db2.gz CGKWNEPXJBTQCL-HIFRSBDPSA-N 1 0 290.411 2.413 10 0 CEAERO COc1ccc(Br)cc1NCCC[NH3+] ZINC000082620894 178131537 /nfs/dbraw/zinc/13/15/37/178131537.db2.gz JGLOUAYZIIOEGA-UHFFFAOYSA-N 1 0 259.147 2.218 10 0 CEAERO CC[C@H](CC(N)=S)[N@H+](C)Cc1scnc1C ZINC000082633068 178141458 /nfs/dbraw/zinc/14/14/58/178141458.db2.gz JMTGJJOLLFYHMO-SECBINFHSA-N 1 0 257.428 2.338 10 0 CEAERO [NH3+]CCc1cnc2c(Cl)cc(Br)cn12 ZINC000082694251 178188909 /nfs/dbraw/zinc/18/89/09/178188909.db2.gz WSVZSGUTNGKSFQ-UHFFFAOYSA-N 1 0 274.549 2.251 10 0 CEAERO Cc1cc(NCc2ccncc2)nc(N2CCCC2)[nH+]1 ZINC000032523799 361741683 /nfs/dbraw/zinc/74/16/83/361741683.db2.gz CKCLOZXUHDGDFN-UHFFFAOYSA-N 1 0 269.352 2.392 10 0 CEAERO CS(=O)(=O)Nc1ccc(-c2cccc(CC[NH3+])c2)cc1 ZINC000032593175 361745164 /nfs/dbraw/zinc/74/51/64/361745164.db2.gz XAGNSKFWYAGNLP-UHFFFAOYSA-N 1 0 290.388 2.226 10 0 CEAERO CCC(CC)(CNC(=O)[C@H]1CCC[C@H]1[NH3+])SC ZINC000226375582 282115151 /nfs/dbraw/zinc/11/51/51/282115151.db2.gz ZALQYZNMEBRKII-WDEREUQCSA-N 1 0 258.431 2.152 10 0 CEAERO CC[NH2+]CC[S@](=O)c1ccc(Br)cc1 ZINC000082748596 178269638 /nfs/dbraw/zinc/26/96/38/178269638.db2.gz NCBYPYUXAFUGTI-CQSZACIVSA-N 1 0 276.199 2.166 10 0 CEAERO C[C@H]([NH3+])[C@H](CO)Sc1nc2ccccc2s1 ZINC000082988015 178332333 /nfs/dbraw/zinc/33/23/33/178332333.db2.gz ZSLOASBHIBJYEY-XVKPBYJWSA-N 1 0 254.380 2.097 10 0 CEAERO C[C@H](C[NH3+])[C@@H](O)c1ccc(Br)s1 ZINC000083021740 178334574 /nfs/dbraw/zinc/33/45/74/178334574.db2.gz UKTRNLIZJXLHSV-SVGQVSJJSA-N 1 0 250.161 2.139 10 0 CEAERO CCn1nccc1CN[C@H](C[NH+](C)C)c1ccccc1 ZINC000125142857 187171959 /nfs/dbraw/zinc/17/19/59/187171959.db2.gz HMOPNBUGYMABMS-MRXNPFEDSA-N 1 0 272.396 2.296 10 0 CEAERO CCC1(C[N@@H+]2CC[C@@H](C)[S@](=O)CC2)CCOCC1 ZINC000336581555 365673249 /nfs/dbraw/zinc/67/32/49/365673249.db2.gz DWUZNWBJTFNSEJ-FZKQIMNGSA-N 1 0 273.442 2.036 10 0 CEAERO C[NH2+][C@](C)(CO)CCSc1ccc(Cl)cn1 ZINC000082905432 178329663 /nfs/dbraw/zinc/32/96/63/178329663.db2.gz WLUNMNORNRAYSZ-NSHDSACASA-N 1 0 260.790 2.188 10 0 CEAERO [NH3+][C@@]1(Cc2ccc(F)c(Br)c2)CCOC1 ZINC000083186585 178352010 /nfs/dbraw/zinc/35/20/10/178352010.db2.gz JNTZQQNANZZWLT-LLVKDONJSA-N 1 0 274.133 2.249 10 0 CEAERO CCC(CC)(CC)NC(=O)c1cc[nH+]c(NN)c1 ZINC000083388763 178394779 /nfs/dbraw/zinc/39/47/79/178394779.db2.gz LASOUESOLABMLE-UHFFFAOYSA-N 1 0 250.346 2.066 10 0 CEAERO COc1cccc(C[N@H+](C[C@H](O)COC(C)C)C2CC2)c1 ZINC000036098403 361828142 /nfs/dbraw/zinc/82/81/42/361828142.db2.gz SDDMHJLJBPXXQT-INIZCTEOSA-N 1 0 293.407 2.446 10 0 CEAERO COc1ccc(NC(C)=O)cc1[C@@H](CC[NH3+])C1CC1 ZINC000096890721 185123561 /nfs/dbraw/zinc/12/35/61/185123561.db2.gz AZJICPKFOODLAY-ZDUSSCGKSA-N 1 0 262.353 2.496 10 0 CEAERO C[C@H](NC(=O)C1([NH3+])CCCC1)c1ccc(F)c(F)c1 ZINC000037616363 361911550 /nfs/dbraw/zinc/91/15/50/361911550.db2.gz ZDZOIXKVCSGEOC-VIFPVBQESA-N 1 0 268.307 2.414 10 0 CEAERO Clc1ccc(-n2cncc2[C@H]2C[NH2+]CCO2)cc1 ZINC000097007488 185151097 /nfs/dbraw/zinc/15/10/97/185151097.db2.gz BKWJNQAPBVRPIK-CYBMUJFWSA-N 1 0 263.728 2.187 10 0 CEAERO CCCC[NH2+]CC1=CC2=CC=C[C@H]3CCN(C1=O)[C@@H]23 ZINC000039287391 361987965 /nfs/dbraw/zinc/98/79/65/361987965.db2.gz SSSGBWKAGIYVJB-SWLSCSKDSA-N 1 0 258.365 2.029 10 0 CEAERO C[C@@H]1CC[C@@H](NC(=O)C2CCC([NH3+])CC2)[C@@H](C)C1 ZINC000226196201 539031025 /nfs/dbraw/zinc/03/10/25/539031025.db2.gz WQRTWGDBVQMJSY-XPXVYLNCSA-N 1 0 252.402 2.445 10 0 CEAERO CN(CCC[NH2+][C@@H]1CCCC[C@H]1O)c1ccccc1 ZINC000226224649 539032375 /nfs/dbraw/zinc/03/23/75/539032375.db2.gz NFCXAZCIADCOIY-HZPDHXFCSA-N 1 0 262.397 2.406 10 0 CEAERO O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1CCCC[NH2+]1 ZINC000037042536 303964799 /nfs/dbraw/zinc/96/47/99/303964799.db2.gz NWHPTOOTIGTZEK-DCAQKATOSA-N 1 0 278.318 2.366 10 0 CEAERO CC(C)(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNC2=O)CC1 ZINC000668425386 539168828 /nfs/dbraw/zinc/16/88/28/539168828.db2.gz QOZLYBLRYLJBCX-FRRDWIJNSA-N 1 0 252.402 2.460 10 0 CEAERO C[C@H](C[NH3+])[C@@H](O)c1cscc1Br ZINC000307569512 539169436 /nfs/dbraw/zinc/16/94/36/539169436.db2.gz XLMYUCDVZKNSDH-SVGQVSJJSA-N 1 0 250.161 2.139 10 0 CEAERO C[C@@H](C[NH3+])[C@H](O)c1cscc1Br ZINC000307569513 539169540 /nfs/dbraw/zinc/16/95/40/539169540.db2.gz XLMYUCDVZKNSDH-XNCJUZBTSA-N 1 0 250.161 2.139 10 0 CEAERO FC(F)c1cc2nc(C3C[NH2+]C3)nn2c(Cl)c1 ZINC000725245469 539191494 /nfs/dbraw/zinc/19/14/94/539191494.db2.gz IYQAEDFVLBCWHX-UHFFFAOYSA-N 1 0 258.659 2.007 10 0 CEAERO CC(C)c1cc2nc(C3C[NH2+]C3)nn2c(Br)c1 ZINC000725248366 539193184 /nfs/dbraw/zinc/19/31/84/539193184.db2.gz SFBSUDQVOACHKT-UHFFFAOYSA-N 1 0 295.184 2.302 10 0 CEAERO CO[C@@H]1C[N@H+](C/C(C)=C/c2ccccc2)C[C@H]1c1c[nH]nn1 ZINC000668576566 539202781 /nfs/dbraw/zinc/20/27/81/539202781.db2.gz NIKNPOGRSFGFCW-IEVHZMJVSA-N 1 0 298.390 2.322 10 0 CEAERO CC(C)(C)OC(=O)N1CCOc2c(F)cc(C[NH3+])cc2C1 ZINC000725259635 539206231 /nfs/dbraw/zinc/20/62/31/539206231.db2.gz HYUIPVMFLDZMFA-UHFFFAOYSA-N 1 0 296.342 2.414 10 0 CEAERO CCC(C)(C)NC(=O)N[C@H]1CC[NH2+]CC[C@@H]1C(F)(F)F ZINC000725262757 539211634 /nfs/dbraw/zinc/21/16/34/539211634.db2.gz OPOFVQAGJWJCPK-UWVGGRQHSA-N 1 0 295.349 2.405 10 0 CEAERO CCNC(=O)c1csc(-c2cccc(C[NH3+])c2)n1 ZINC000725263649 539212132 /nfs/dbraw/zinc/21/21/32/539212132.db2.gz YPDTUBZFKJMOPO-UHFFFAOYSA-N 1 0 261.350 2.019 10 0 CEAERO CC(C)[C@H](C)C(=O)N[C@@H]1CCCC12CC[NH2+]CC2 ZINC000725263892 539212388 /nfs/dbraw/zinc/21/23/88/539212388.db2.gz ADUMIOPOZCLRNZ-QWHCGFSZSA-N 1 0 252.402 2.317 10 0 CEAERO CC(C)CNC(=O)N1CCCc2cc(CC[NH3+])ccc21 ZINC000725264969 539213106 /nfs/dbraw/zinc/21/31/06/539213106.db2.gz DLPCETRHEZALEU-UHFFFAOYSA-N 1 0 275.396 2.306 10 0 CEAERO CC(C)S(=O)(=O)N1CCCc2c1cccc2C(C)(C)[NH3+] ZINC000725270098 539214964 /nfs/dbraw/zinc/21/49/64/539214964.db2.gz FNLPJSFJHBYXDR-UHFFFAOYSA-N 1 0 296.436 2.371 10 0 CEAERO OC[C@H]1CCCC[C@H]1[NH2+]Cc1ccncc1Cl ZINC000231041999 539227817 /nfs/dbraw/zinc/22/78/17/539227817.db2.gz OXDDSECIMSRMMV-DGCLKSJQSA-N 1 0 254.761 2.376 10 0 CEAERO CCN1CCO[C@H](C[NH2+]C[C@@H]2CC(C)=C[C@H](C)C2)C1 ZINC000300077565 539248576 /nfs/dbraw/zinc/24/85/76/539248576.db2.gz DFFCPJQAXOJMIH-CWRNSKLLSA-N 1 0 266.429 2.289 10 0 CEAERO C[C@H](NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1)c1cccs1 ZINC000126132325 187218719 /nfs/dbraw/zinc/21/87/19/187218719.db2.gz UAJGBUMYVZWCOL-VWYCJHECSA-N 1 0 252.383 2.313 10 0 CEAERO COc1cc(CN2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)sn1 ZINC000399076676 539263620 /nfs/dbraw/zinc/26/36/20/539263620.db2.gz VBONQKMMJDAPAH-RYUDHWBXSA-N 1 0 281.425 2.210 10 0 CEAERO COc1ccc(-c2ncc(C[NH3+])s2)cc1OC ZINC000040996533 362010088 /nfs/dbraw/zinc/01/00/88/362010088.db2.gz MNIPNYQCIXIMKC-UHFFFAOYSA-N 1 0 250.323 2.286 10 0 CEAERO CC1(C)[C@H]([NH2+][C@@H]2CCC[C@H](O)C2)[C@H]2CCCO[C@@H]21 ZINC000085674187 539292957 /nfs/dbraw/zinc/29/29/57/539292957.db2.gz RQBGNKPXAWTMEI-ITGHMWBKSA-N 1 0 253.386 2.083 10 0 CEAERO C[NH+](C)C[C@H](NC(=O)CCc1ccncc1)c1ccccc1 ZINC000044958142 362157069 /nfs/dbraw/zinc/15/70/69/362157069.db2.gz SCOUGXGOFURQAH-KRWDZBQOSA-N 1 0 297.402 2.433 10 0 CEAERO COc1cccc(C[NH2+]C[C@@H](O)C(C)(C)C)c1F ZINC000324638384 539303076 /nfs/dbraw/zinc/30/30/76/539303076.db2.gz WLKKYDMFMXBUMO-GFCCVEGCSA-N 1 0 255.333 2.331 10 0 CEAERO CC[NH+](CC)CCNC(=O)N[C@H]1CCOc2ccccc21 ZINC000045544471 362162044 /nfs/dbraw/zinc/16/20/44/362162044.db2.gz IWXMIIJIKOATEQ-AWEZNQCLSA-N 1 0 291.395 2.151 10 0 CEAERO CC[C@H](O)C[NH+]1CCN(CCc2ccccc2Cl)CC1 ZINC000174082757 529700359 /nfs/dbraw/zinc/70/03/59/529700359.db2.gz HVZSJSJODHVSII-HNNXBMFYSA-N 1 0 296.842 2.271 10 0 CEAERO C[C@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1ccccc1F ZINC000126687286 187256359 /nfs/dbraw/zinc/25/63/59/187256359.db2.gz CUUFCNNXMQZLFU-WDEREUQCSA-N 1 0 271.357 2.054 10 0 CEAERO O[C@@](c1ccc(F)cc1)(c1ccccn1)C1CC[NH2+]CC1 ZINC000034347961 343419626 /nfs/dbraw/zinc/41/96/26/343419626.db2.gz WKUNEGGDEONMQW-QGZVFWFLSA-N 1 0 286.350 2.456 10 0 CEAERO CC(C)CO[C@@H]1C[C@@H]([NH2+]C[C@H](C)N2CCOCC2)C1(C)C ZINC000245964194 539313541 /nfs/dbraw/zinc/31/35/41/539313541.db2.gz YRXMEHKHBUCUNJ-ARFHVFGLSA-N 1 0 298.471 2.136 10 0 CEAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2cnn(-c3ccccc3)c2)C1 ZINC000037164974 343425918 /nfs/dbraw/zinc/42/59/18/343425918.db2.gz WWYBZWQPFFHQAC-GDBMZVCRSA-N 1 0 271.364 2.265 10 0 CEAERO COc1cc(OC)c(OC)cc1C[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000037164488 343426089 /nfs/dbraw/zinc/42/60/89/343426089.db2.gz DMWVXVNQGQQWRM-OLZOCXBDSA-N 1 0 295.379 2.106 10 0 CEAERO [NH3+]C1CCC(C(=O)Nc2ccc(-n3cccn3)cc2)CC1 ZINC000037627967 343430326 /nfs/dbraw/zinc/43/03/26/343430326.db2.gz NMJACXVPFNPUIK-UHFFFAOYSA-N 1 0 284.363 2.328 10 0 CEAERO CN(Cc1ccc(F)cc1F)C(=O)C1CCC([NH3+])CC1 ZINC000037804519 343431314 /nfs/dbraw/zinc/43/13/14/343431314.db2.gz TUQGBUNLNAOQKL-UHFFFAOYSA-N 1 0 282.334 2.441 10 0 CEAERO [NH3+]CC1(c2cccc(CN3CCOCC3)c2)CCCC1 ZINC000038601398 343434435 /nfs/dbraw/zinc/43/44/35/343434435.db2.gz MJTFTLAAWVACGG-UHFFFAOYSA-N 1 0 274.408 2.289 10 0 CEAERO C[C@H](NC(=O)NC1CC[NH+](C)CC1)c1cccs1 ZINC000047885159 362229814 /nfs/dbraw/zinc/22/98/14/362229814.db2.gz WZJSSQVATARNIR-JTQLQIEISA-N 1 0 267.398 2.203 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCCCCC2)C1 ZINC000246415450 539321094 /nfs/dbraw/zinc/32/10/94/539321094.db2.gz MFSJIWFLXPYOSE-ZIAGYGMSSA-N 1 0 267.417 2.301 10 0 CEAERO O=C(NCCCC[NH+]1CCCC1)NC1CCCCC1 ZINC000044456782 343472146 /nfs/dbraw/zinc/47/21/46/343472146.db2.gz GGMSWDOWTPGCFE-UHFFFAOYSA-N 1 0 267.417 2.494 10 0 CEAERO C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000295003956 199295101 /nfs/dbraw/zinc/29/51/01/199295101.db2.gz LPNXIPLTSROKRR-BBRMVZONSA-N 1 0 271.364 2.218 10 0 CEAERO CCS[C@@H]1CCC[C@H]1NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000601977767 346947743 /nfs/dbraw/zinc/94/77/43/346947743.db2.gz SUYCJMPXRCMUGP-JLNYLFASSA-N 1 0 282.453 2.167 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)NCCc1cccc(Cl)c1 ZINC000054308776 343587133 /nfs/dbraw/zinc/58/71/33/343587133.db2.gz VAXKINOXZUDUOG-ZDUSSCGKSA-N 1 0 280.799 2.388 10 0 CEAERO Cc1ccc(C)c(C[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000053815905 343580967 /nfs/dbraw/zinc/58/09/67/343580967.db2.gz MBVHZJPZUUKKFK-OAHLLOKOSA-N 1 0 260.381 2.356 10 0 CEAERO COc1ccc(OC)c(C[N@@H+]2CCC[C@@H](O)[C@@H]2C)c1 ZINC000295041990 199315948 /nfs/dbraw/zinc/31/59/48/199315948.db2.gz OUWIEAOGCQKFBE-SMDDNHRTSA-N 1 0 265.353 2.049 10 0 CEAERO OC1(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)CCC1 ZINC000336722271 365787477 /nfs/dbraw/zinc/78/74/77/365787477.db2.gz VPHXQYCXYHUYMO-MRXNPFEDSA-N 1 0 275.392 2.440 10 0 CEAERO Cc1nc(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)co1 ZINC000328350786 539345677 /nfs/dbraw/zinc/34/56/77/539345677.db2.gz NHIKLOYOPJPTBS-ZBFHGGJFSA-N 1 0 271.364 2.157 10 0 CEAERO CC(C)[C@H](C[NH3+])Nc1ncccc1Br ZINC000083568821 178582279 /nfs/dbraw/zinc/58/22/79/178582279.db2.gz KRMLCNWSLQNPNP-VIFPVBQESA-N 1 0 258.163 2.239 10 0 CEAERO Cc1ccc(CN2CCO[C@@H](C[NH+](C)C)C2)c(C)c1 ZINC000128133578 187354038 /nfs/dbraw/zinc/35/40/38/187354038.db2.gz RFDINGQYHPYLOF-INIZCTEOSA-N 1 0 262.397 2.066 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)Nc1ncc(Br)s1 ZINC000083604329 178612778 /nfs/dbraw/zinc/61/27/78/178612778.db2.gz SNNJBUPGTWQCSG-LURJTMIESA-N 1 0 292.202 2.219 10 0 CEAERO COC[C@H](O)C[N@@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000127062093 187279823 /nfs/dbraw/zinc/27/98/23/187279823.db2.gz BNVPVMLOINQZHY-OLZOCXBDSA-N 1 0 253.342 2.122 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)COc2ccccc2Cl)C1 ZINC000048753508 362301849 /nfs/dbraw/zinc/30/18/49/362301849.db2.gz LWNBZYOIQZLPFJ-LBPRGKRZSA-N 1 0 296.798 2.319 10 0 CEAERO COc1cc2c(cc1C[NH2+][C@@H]1CCC[C@H](O)C1)O[C@@H](C)C2 ZINC000109133101 344266790 /nfs/dbraw/zinc/26/67/90/344266790.db2.gz IKTDYMZVPJUUPI-GLQYFDAESA-N 1 0 291.391 2.412 10 0 CEAERO NC1=[NH+][C@](CF)(c2cccc(Br)c2)COC1 ZINC000113658905 344277497 /nfs/dbraw/zinc/27/74/97/344277497.db2.gz PRXMMRUZALZYGU-NSHDSACASA-N 1 0 287.132 2.001 10 0 CEAERO CC(C)[C@@H](C)NC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000127459104 344329748 /nfs/dbraw/zinc/32/97/48/344329748.db2.gz PTXLCRUCTFVOHP-UONOGXRCSA-N 1 0 269.433 2.452 10 0 CEAERO C[C@H](C[NH3+])CSCCCN1C(=O)c2ccccc2C1=O ZINC000127842633 344332273 /nfs/dbraw/zinc/33/22/73/344332273.db2.gz NXBWRKKKMISQPI-LLVKDONJSA-N 1 0 292.404 2.001 10 0 CEAERO CSCC[C@@H](C)N(C)C(=O)C1CCC([NH3+])CC1 ZINC000133368518 344368183 /nfs/dbraw/zinc/36/81/83/344368183.db2.gz RBQLRELCGPFJBW-VOMCLLRMSA-N 1 0 258.431 2.104 10 0 CEAERO CC1(C)CN(c2nc(Br)cs2)CC[NH2+]1 ZINC000133195462 344367759 /nfs/dbraw/zinc/36/77/59/344367759.db2.gz VEKIVDXWTSGPHJ-UHFFFAOYSA-N 1 0 276.203 2.094 10 0 CEAERO COC(=O)c1ccc(N[C@@H]2CCCC[C@@H]2C[NH3+])nc1C ZINC000147687329 344412660 /nfs/dbraw/zinc/41/26/60/344412660.db2.gz YVXLGVWIMLDMFD-DGCLKSJQSA-N 1 0 277.368 2.106 10 0 CEAERO [NH3+]C[C@H](Nc1ccc2nccnc2n1)C1CCCCC1 ZINC000155835688 344439659 /nfs/dbraw/zinc/43/96/59/344439659.db2.gz QNUOWXSLCDNNNN-ZDUSSCGKSA-N 1 0 271.368 2.344 10 0 CEAERO CCC[C@H](C)C[N@@H+]1CCN(CCOCC)[C@H](C)C1 ZINC000180086788 344505572 /nfs/dbraw/zinc/50/55/72/344505572.db2.gz BJWCWBJOZPCNSH-LSDHHAIUSA-N 1 0 256.434 2.465 10 0 CEAERO C[C@H](C[NH3+])Oc1ccc(I)cc1 ZINC000160237963 344457697 /nfs/dbraw/zinc/45/76/97/344457697.db2.gz MIWJPXFSODVZJH-SSDOTTSWSA-N 1 0 277.105 2.017 10 0 CEAERO [NH3+]C[C@@H]1CC[C@H]1Cc1ccc(Br)cn1 ZINC000161926138 344465580 /nfs/dbraw/zinc/46/55/80/344465580.db2.gz RGFSBJIIYALYON-IUCAKERBSA-N 1 0 255.159 2.372 10 0 CEAERO Cc1ccc([C@@H](C[NH3+])N(C)C)cc1Br ZINC000164865565 344473163 /nfs/dbraw/zinc/47/31/63/344473163.db2.gz YYJAQWLNHFPUOZ-LLVKDONJSA-N 1 0 257.175 2.319 10 0 CEAERO Oc1ccc(C[C@@H]2CN(Cc3ccccc3)CC[NH2+]2)cc1 ZINC000166506491 344476361 /nfs/dbraw/zinc/47/63/61/344476361.db2.gz QUXNYTQAFRVPTL-QGZVFWFLSA-N 1 0 282.387 2.409 10 0 CEAERO CCC[NH+]1CCC(N(C)C(=O)N[C@@H](C)[C@H]2CCCO2)CC1 ZINC000171042497 344494577 /nfs/dbraw/zinc/49/45/77/344494577.db2.gz MOZCMCCUTJSERJ-DZGCQCFKSA-N 1 0 297.443 2.070 10 0 CEAERO C[C@@]1(Nc2ncccc2Br)CC[NH2+]C1 ZINC000230748481 344573660 /nfs/dbraw/zinc/57/36/60/344573660.db2.gz KZPIAAANVWCJEZ-SNVBAGLBSA-N 1 0 256.147 2.008 10 0 CEAERO c1cc2c3c(c1)N(C1CCCC1)CCN3CC[NH2+]C2 ZINC000207709547 344529274 /nfs/dbraw/zinc/52/92/74/344529274.db2.gz LWEGPOSKHDGAKN-UHFFFAOYSA-N 1 0 257.381 2.359 10 0 CEAERO Cc1[nH]c(-c2ccccc2NC[C@@H]2CC[NH2+]C2)cc1C(N)=O ZINC000220786653 344538342 /nfs/dbraw/zinc/53/83/42/344538342.db2.gz XLLAOWCMJLADCY-GFCCVEGCSA-N 1 0 298.390 2.110 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CC2)[C@H](F)C1 ZINC000223650748 344543193 /nfs/dbraw/zinc/54/31/93/344543193.db2.gz SVPOAIXSYHYJCJ-MNOVXSKESA-N 1 0 258.337 2.086 10 0 CEAERO CS[C@H]1CCC[C@@H](NC(=O)C2CCC([NH3+])CC2)C1 ZINC000225504251 344545798 /nfs/dbraw/zinc/54/57/98/344545798.db2.gz VCRKSLZVQBBGDG-TUUUFIMRSA-N 1 0 270.442 2.294 10 0 CEAERO Cc1c(C[NH2+][C@H]2CCc3cc(N)ccc32)cnn1C ZINC000226310238 344549064 /nfs/dbraw/zinc/54/90/64/344549064.db2.gz SVONUQCVJFBNIN-HNNXBMFYSA-N 1 0 256.353 2.088 10 0 CEAERO C[C@@H]1C[C@H]1[C@@H]([NH3+])Cc1cncc(Br)c1 ZINC000228653464 344562742 /nfs/dbraw/zinc/56/27/42/344562742.db2.gz MBZUPBBKFVSSSR-ONOSFVFSSA-N 1 0 255.159 2.370 10 0 CEAERO [NH3+]CCC1CCN(c2nc(C(F)(F)F)ns2)CC1 ZINC000228790366 344563585 /nfs/dbraw/zinc/56/35/85/344563585.db2.gz XYNSHRULHKRMKK-UHFFFAOYSA-N 1 0 280.319 2.122 10 0 CEAERO C[C@@H](C[NH3+])[C@H](C)Nc1ccncc1Br ZINC000228820712 344564172 /nfs/dbraw/zinc/56/41/72/344564172.db2.gz PLSDORCGEIBZHK-YUMQZZPRSA-N 1 0 258.163 2.239 10 0 CEAERO C[C@@H]1SCC[C@@]12C[NH+]=C(N)N2Cc1ccccc1 ZINC000235361616 344590408 /nfs/dbraw/zinc/59/04/08/344590408.db2.gz PLQVGPRAWYVTIJ-SMDDNHRTSA-N 1 0 261.394 2.081 10 0 CEAERO Brc1csc(CO[C@@H]2CC[NH2+]C2)c1 ZINC000051782793 362438225 /nfs/dbraw/zinc/43/82/25/362438225.db2.gz ZMDITXXDVNXHKG-MRVPVSSYSA-N 1 0 262.172 2.389 10 0 CEAERO CN(C)C[C@H]([NH3+])c1cccc(Br)c1F ZINC000234250555 344584557 /nfs/dbraw/zinc/58/45/57/344584557.db2.gz ZUGIEXOWKRXZTI-VIFPVBQESA-N 1 0 261.138 2.150 10 0 CEAERO [NH3+]CCc1cc(Br)c(Br)o1 ZINC000050358562 362415298 /nfs/dbraw/zinc/41/52/98/362415298.db2.gz HRMMDAAGBVUHKO-UHFFFAOYSA-N 1 0 268.936 2.306 10 0 CEAERO O=C(CC[N@H+]1CCC[C@@H]1CCCO)Nc1ccccc1F ZINC000052762201 362474184 /nfs/dbraw/zinc/47/41/84/362474184.db2.gz HEAQXCCIRHSQTF-CYBMUJFWSA-N 1 0 294.370 2.391 10 0 CEAERO Cc1ccc2c(CC(=O)N3CCC[C@H]3C[NH3+])coc2c1 ZINC000237871013 344604550 /nfs/dbraw/zinc/60/45/50/344604550.db2.gz QYFWDEVTHRKLIT-ZDUSSCGKSA-N 1 0 272.348 2.233 10 0 CEAERO C[C@@H]1CCC[C@H](CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000261566034 344653173 /nfs/dbraw/zinc/65/31/73/344653173.db2.gz IBIUEDSOBHMYDM-ZOBORPQBSA-N 1 0 252.402 2.446 10 0 CEAERO C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000307655306 344723924 /nfs/dbraw/zinc/72/39/24/344723924.db2.gz OGQOGEGOIVBPHZ-IJLUTSLNSA-N 1 0 254.374 2.241 10 0 CEAERO O[C@H](c1csc(Br)c1)[C@H]1C=CC[NH2+]1 ZINC000306392944 344713261 /nfs/dbraw/zinc/71/32/61/344713261.db2.gz FTFQXJKMYLTQKN-VXNVDRBHSA-N 1 0 260.156 2.072 10 0 CEAERO CCN1C(=[NH2+])NC[C@H]1c1cscc1Br ZINC000306563944 344714718 /nfs/dbraw/zinc/71/47/18/344714718.db2.gz PXIRXMIVLZDJJD-QMMMGPOBSA-N 1 0 274.187 2.202 10 0 CEAERO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC1=[NH+]CCS1 ZINC000306889070 344718513 /nfs/dbraw/zinc/71/85/13/344718513.db2.gz WXBWTYZZQOVURU-OCCSQVGLSA-N 1 0 275.421 2.199 10 0 CEAERO COc1cc(N[C@H]2CCC[NH2+][C@@H]2C)c([N+](=O)[O-])cc1C ZINC000380612566 344823046 /nfs/dbraw/zinc/82/30/46/344823046.db2.gz QELDNTWRXWHKBX-MNOVXSKESA-N 1 0 279.340 2.464 10 0 CEAERO COc1cc(N[C@@H](CC[NH3+])C(F)F)c([N+](=O)[O-])cc1C ZINC000383275925 344827040 /nfs/dbraw/zinc/82/70/40/344827040.db2.gz INAMEUWRSNJFOF-QMMMGPOBSA-N 1 0 289.282 2.306 10 0 CEAERO [NH3+]C1(COCC(=O)Nc2ccccc2F)CCCC1 ZINC000083863148 178755508 /nfs/dbraw/zinc/75/55/08/178755508.db2.gz QUXVIQCAJKYJTK-UHFFFAOYSA-N 1 0 266.316 2.052 10 0 CEAERO C[C@H]1CC[C@@H](Nc2c(F)cccc2[N+](=O)[O-])C[NH2+]1 ZINC000398964614 344856234 /nfs/dbraw/zinc/85/62/34/344856234.db2.gz PRSDTMQEMOLBQA-DTWKUNHWSA-N 1 0 253.277 2.286 10 0 CEAERO CC[NH2+][C@H](C[S@@](=O)CC)c1ccc2c(c1)OCCCO2 ZINC000084006780 178769836 /nfs/dbraw/zinc/76/98/36/178769836.db2.gz GVSBLACKBYXYIM-ZUOKHONESA-N 1 0 297.420 2.267 10 0 CEAERO CCC[NH2+]CCC[S@](=O)c1ccc(OC)cc1 ZINC000084002774 178770228 /nfs/dbraw/zinc/77/02/28/178770228.db2.gz SJPXDZJBRGEBGM-QGZVFWFLSA-N 1 0 255.383 2.193 10 0 CEAERO C[NH2+][C@H]1c2ccccc2OC[C@@H]1[S@](=O)C(C)(C)C ZINC000084008434 178770663 /nfs/dbraw/zinc/77/06/63/178770663.db2.gz CPYYDFZPPZEQGY-ZJNRKIDTSA-N 1 0 267.394 2.255 10 0 CEAERO COc1ccc([C@@H]([NH3+])[C@@H](C)[S@](=O)CC(C)C)cc1 ZINC000084033852 178774061 /nfs/dbraw/zinc/77/40/61/178774061.db2.gz PLGVJDANZZDKTI-VZSAFFHGSA-N 1 0 269.410 2.488 10 0 CEAERO CC[NH2+][C@H](CC)C[S@@](=O)c1cc(F)ccc1F ZINC000084037244 178776678 /nfs/dbraw/zinc/77/66/78/178776678.db2.gz XSHQTEHNOCPICP-QGHHPUGFSA-N 1 0 261.337 2.461 10 0 CEAERO CC(=O)NCC[NH2+][C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000584590953 344960784 /nfs/dbraw/zinc/96/07/84/344960784.db2.gz BEKUSNGONOOMAF-MSOLQXFVSA-N 1 0 298.386 2.187 10 0 CEAERO O[C@H](C[NH2+]CCNCc1ccccc1)c1ccccc1 ZINC000584596058 344961201 /nfs/dbraw/zinc/96/12/01/344961201.db2.gz KRTCIHDCFGSTCH-QGZVFWFLSA-N 1 0 270.376 2.099 10 0 CEAERO O=C1CC2(CCCC2)CC(=O)N1CCC[NH+]1CCCC1 ZINC000584640398 344971764 /nfs/dbraw/zinc/97/17/64/344971764.db2.gz ANTWLNYFOLJQBT-UHFFFAOYSA-N 1 0 278.396 2.182 10 0 CEAERO Cc1c(Br)ccc2c(N)c(N)c[nH+]c12 ZINC000584882200 344996030 /nfs/dbraw/zinc/99/60/30/344996030.db2.gz UGKZYBSQVLTLEK-UHFFFAOYSA-N 1 0 252.115 2.470 10 0 CEAERO COC(=O)c1cccc(NC(=O)CC2([NH3+])CCCC2)c1C ZINC000084167113 178811861 /nfs/dbraw/zinc/81/18/61/178811861.db2.gz XOBNEXWGKFUCDP-UHFFFAOYSA-N 1 0 290.363 2.382 10 0 CEAERO COc1ccc(NC(=O)CC(C)(C)[NH3+])cc1OC(F)F ZINC000084168360 178812772 /nfs/dbraw/zinc/81/27/72/178812772.db2.gz QSZPOASAUGSABS-UHFFFAOYSA-N 1 0 288.294 2.363 10 0 CEAERO COc1cc(NC(=O)C[C@H]2CCC[NH2+]C2)cc(OC)c1 ZINC000054290115 362521780 /nfs/dbraw/zinc/52/17/80/362521780.db2.gz ICEKPODOHURIJI-LLVKDONJSA-N 1 0 278.352 2.032 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)N1CCCc2ccccc21 ZINC000054290203 362521931 /nfs/dbraw/zinc/52/19/31/362521931.db2.gz RHLRPNJIFOJMFG-CYBMUJFWSA-N 1 0 258.365 2.356 10 0 CEAERO CCOc1ccc(NC(=O)[C@@H](C)[NH2+]C)cc1Cl ZINC000054074555 362508976 /nfs/dbraw/zinc/50/89/76/362508976.db2.gz FKILRDUKERJQIA-MRVPVSSYSA-N 1 0 256.733 2.285 10 0 CEAERO C[NH2+][C@H](C)C(=O)N[C@@H](C)c1ccccc1OC(C)C ZINC000054074405 362509056 /nfs/dbraw/zinc/50/90/56/362509056.db2.gz MVJQHZWROXZNHG-NWDGAFQWSA-N 1 0 264.369 2.259 10 0 CEAERO CCN(C(=O)CC(C)(C)[NH3+])[C@@H](C)c1cccc(O)c1 ZINC000084182772 178817562 /nfs/dbraw/zinc/81/75/62/178817562.db2.gz JOVUSTVTIWBFIT-NSHDSACASA-N 1 0 264.369 2.429 10 0 CEAERO CCOc1ccc(NC(=O)C[C@@H]2CCC[NH2+]C2)cc1OC ZINC000054307121 362525348 /nfs/dbraw/zinc/52/53/48/362525348.db2.gz DGVJFCIFPCNHGU-LBPRGKRZSA-N 1 0 292.379 2.422 10 0 CEAERO O=C(CC[N@H+]1CC[C@H](CCO)C1)c1ccc(F)cc1 ZINC000128759462 365804124 /nfs/dbraw/zinc/80/41/24/365804124.db2.gz BMQPMTWHHNHIJQ-GFCCVEGCSA-N 1 0 265.328 2.103 10 0 CEAERO Cc1cccc(CS(=O)(=O)[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000084272242 178838879 /nfs/dbraw/zinc/83/88/79/178838879.db2.gz NCTICPUXBVHHDC-KGLIPLIRSA-N 1 0 267.394 2.037 10 0 CEAERO [NH3+][C@@H](CCc1cccnc1)c1ccc2c(c1)OCCO2 ZINC000097077962 185521666 /nfs/dbraw/zinc/52/16/66/185521666.db2.gz FGZNFDVJGTXLHO-AWEZNQCLSA-N 1 0 270.332 2.485 10 0 CEAERO [NH3+]Cc1ccc(CS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000084268007 178835442 /nfs/dbraw/zinc/83/54/42/178835442.db2.gz VCSAXDKMSXFBLN-UHFFFAOYSA-N 1 0 279.336 2.258 10 0 CEAERO COc1cccc(S(=O)(=O)Cc2ccc(C[NH3+])cc2)c1 ZINC000084268795 178835987 /nfs/dbraw/zinc/83/59/87/178835987.db2.gz ZBJFBZXLIBQIFX-UHFFFAOYSA-N 1 0 291.372 2.128 10 0 CEAERO Cc1nn(C)c(CC2=C[C@H]([NH3+])CC2)c1Br ZINC000084277213 178840865 /nfs/dbraw/zinc/84/08/65/178840865.db2.gz DRFVOUVFLPSLHM-SECBINFHSA-N 1 0 270.174 2.081 10 0 CEAERO CCC[NH+](CCC)[C@@H](C)C[C@@](C)(NC)C(=O)OCC ZINC000084302706 178851136 /nfs/dbraw/zinc/85/11/36/178851136.db2.gz ORCNHNHBYGOVQI-DZGCQCFKSA-N 1 0 272.433 2.428 10 0 CEAERO COC(=O)[C@](C)(C[C@@H](C)[N@H+](C)CC1CC1)NC(C)C ZINC000084313715 178856374 /nfs/dbraw/zinc/85/63/74/178856374.db2.gz ZJANAZMAJALFHD-DOMZBBRYSA-N 1 0 270.417 2.037 10 0 CEAERO COC(=O)[C@@](C)(N)C[C@H](C)[NH+](CC(C)C)CC(C)C ZINC000084314481 178856928 /nfs/dbraw/zinc/85/69/28/178856928.db2.gz PLKGOKYQNFEGLT-ZFWWWQNUSA-N 1 0 272.433 2.269 10 0 CEAERO CCc1nn(CC)c(C[C@H]([NH3+])CSC)c1Cl ZINC000084298999 178849051 /nfs/dbraw/zinc/84/90/51/178849051.db2.gz PSYDPQWTYCVCJK-QMMMGPOBSA-N 1 0 261.822 2.352 10 0 CEAERO CCCN[C@@](C)(C[C@@H](C)[N@H+](C)C(C)C)C(=O)OC ZINC000084301667 178850398 /nfs/dbraw/zinc/85/03/98/178850398.db2.gz JGCOLEXTMPXNQH-OCCSQVGLSA-N 1 0 258.406 2.037 10 0 CEAERO C[NH2+][C@@H](C[C@@H]1CCS(=O)(=O)C1)c1ccc(F)c(C)c1 ZINC000097121530 185539585 /nfs/dbraw/zinc/53/95/85/185539585.db2.gz KRVQJZYRMXDFHL-FZMZJTMJSA-N 1 0 285.384 2.219 10 0 CEAERO CC[NH+](CC)C[C@@H](C)Nc1c(N)c(C)nn1C(C)C ZINC000097145289 185548779 /nfs/dbraw/zinc/54/87/79/185548779.db2.gz IDBYMGLDMIGYRS-LLVKDONJSA-N 1 0 267.421 2.497 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cccc2cc[nH]c21 ZINC000229584384 539472446 /nfs/dbraw/zinc/47/24/46/539472446.db2.gz IDHZXHIAPVZMGD-MFKMUULPSA-N 1 0 257.337 2.038 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](Sc2nnc(C3CC3)n2C2CC2)C1 ZINC000084435168 178888095 /nfs/dbraw/zinc/88/80/95/178888095.db2.gz IUQUFTAZZRRXMX-MWLCHTKSSA-N 1 0 264.398 2.462 10 0 CEAERO CC[C@H]1CCCCN1C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000057870603 362597882 /nfs/dbraw/zinc/59/78/82/362597882.db2.gz MASQHJVNWITPEV-KBPBESRZSA-N 1 0 267.417 2.445 10 0 CEAERO C[NH2+][C@@H]1C[C@@H](C)C[C@@H](C)[C@@H]1Sc1n[nH]c(=O)n1C(C)C ZINC000084474397 178894377 /nfs/dbraw/zinc/89/43/77/178894377.db2.gz RZOWLFZYQLAHHF-QCNOEVLYSA-N 1 0 298.456 2.267 10 0 CEAERO CCc1nn(C)c(C[C@](C)(O)C[NH2+]C(C)(C)C)c1Cl ZINC000097210661 185564969 /nfs/dbraw/zinc/56/49/69/185564969.db2.gz JNPGWXKKLWDTIT-AWEZNQCLSA-N 1 0 287.835 2.318 10 0 CEAERO CCOCC[C@@H](Cc1ccn([C@@H](C)CC)n1)[NH2+]C ZINC000097224884 185567944 /nfs/dbraw/zinc/56/79/44/185567944.db2.gz OCOBHTMFVURVHH-STQMWFEESA-N 1 0 253.390 2.411 10 0 CEAERO CN(CC[N@H+](C)CCO)Cc1ccccc1C(F)(F)F ZINC000623091911 349936305 /nfs/dbraw/zinc/93/63/05/349936305.db2.gz ZQBXAVPHMSVGEZ-UHFFFAOYSA-N 1 0 290.329 2.061 10 0 CEAERO Cc1nc(C[C@H]([NH3+])Cn2cnc3ccccc32)cs1 ZINC000097274102 185575168 /nfs/dbraw/zinc/57/51/68/185575168.db2.gz ZTFCOVIHJYFZPG-NSHDSACASA-N 1 0 272.377 2.371 10 0 CEAERO Cn1nc(C[C@H]([NH3+])[C@H]2CCSC2)c2ccccc21 ZINC000097279388 185577691 /nfs/dbraw/zinc/57/76/91/185577691.db2.gz QZDMKSIDSZPDMN-JQWIXIFHSA-N 1 0 261.394 2.196 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@H](C)c2ccccc2OC)C1 ZINC000149296549 539489238 /nfs/dbraw/zinc/48/92/38/539489238.db2.gz BDJJHWHYZUXXEF-KGLIPLIRSA-N 1 0 278.396 2.067 10 0 CEAERO CCc1cc(C[C@H](CC[C@H](C)OC)[NH2+]C)n(CC)n1 ZINC000097279841 185578368 /nfs/dbraw/zinc/57/83/68/185578368.db2.gz PJBRFWLMLUGFCZ-JSGCOSHPSA-N 1 0 267.417 2.411 10 0 CEAERO CCO[C@H](C[NH3+])c1cc(Cl)c2c(c1)OCCO2 ZINC000097328973 185585644 /nfs/dbraw/zinc/58/56/44/185585644.db2.gz WJDUVSALEUWEGM-LLVKDONJSA-N 1 0 257.717 2.148 10 0 CEAERO Nc1cc[nH+]cc1C[C@@H](O)CSc1ccc(F)cc1 ZINC000097329606 185586284 /nfs/dbraw/zinc/58/62/84/185586284.db2.gz FRHUJUKBOJXVTB-GFCCVEGCSA-N 1 0 278.352 2.499 10 0 CEAERO CCOCCC[C@H](Cc1cn2ccsc2n1)[NH2+]C ZINC000097349535 185588187 /nfs/dbraw/zinc/58/81/87/185588187.db2.gz HBLNCZVICZSAHD-LLVKDONJSA-N 1 0 267.398 2.343 10 0 CEAERO O[C@H](C[NH2+]C1CC1)Cc1ccc(F)c(Br)c1 ZINC000084994135 178941606 /nfs/dbraw/zinc/94/16/06/178941606.db2.gz HFWUXSVRYVIITQ-JTQLQIEISA-N 1 0 288.160 2.244 10 0 CEAERO O[C@H](C[NH2+]C1CC1)Cc1sccc1Br ZINC000084994124 178941733 /nfs/dbraw/zinc/94/17/33/178941733.db2.gz UFLOYWYMXVFDTO-QMMMGPOBSA-N 1 0 276.199 2.166 10 0 CEAERO COC(=O)C[C@@](C)(c1ccc(F)cc1)C(C)(C)[NH3+] ZINC000097434019 185603072 /nfs/dbraw/zinc/60/30/72/185603072.db2.gz GLDCHZNFRYTUIX-AWEZNQCLSA-N 1 0 253.317 2.384 10 0 CEAERO CC[C@H]1CCC[C@@H]([NH2+][C@@H](C)C(=O)NCCCOC)C1 ZINC000085065391 178946377 /nfs/dbraw/zinc/94/63/77/178946377.db2.gz ABPBPMWQGIXRGZ-MELADBBJSA-N 1 0 270.417 2.086 10 0 CEAERO COC(=O)C[C@H](c1ccc(OC(C)C)cc1)[C@@H](C)[NH3+] ZINC000097430808 185601352 /nfs/dbraw/zinc/60/13/52/185601352.db2.gz WTEOZVFSYBOZRO-RISCZKNCSA-N 1 0 265.353 2.468 10 0 CEAERO C[NH2+][C@H](c1cnnn1C)[C@H]1CCCc2sccc21 ZINC000097424188 185601480 /nfs/dbraw/zinc/60/14/80/185601480.db2.gz YLCYCYKEYBKPNW-GWCFXTLKSA-N 1 0 262.382 2.257 10 0 CEAERO C[NH2+]C[C@](C)(O)Cc1cc(Br)cs1 ZINC000085075449 178947886 /nfs/dbraw/zinc/94/78/86/178947886.db2.gz ALORMGNQUZEZON-SECBINFHSA-N 1 0 264.188 2.024 10 0 CEAERO CC[NH2+][C@H](CCc1nccn1C)c1cncc(F)c1 ZINC000097451887 185608940 /nfs/dbraw/zinc/60/89/40/185608940.db2.gz ABSCEPHHYXFIQH-CYBMUJFWSA-N 1 0 262.332 2.238 10 0 CEAERO CCC(CC)n1ccc(C[C@H](CCOC)[NH2+]C)n1 ZINC000085182877 178965631 /nfs/dbraw/zinc/96/56/31/178965631.db2.gz DRSAGYAZISYDRI-LBPRGKRZSA-N 1 0 253.390 2.411 10 0 CEAERO CCCCOC[C@@H](O)C[NH+]1CCC(C)(OCC)CC1 ZINC000311636034 201893058 /nfs/dbraw/zinc/89/30/58/201893058.db2.gz JYXTZRICYKJDJQ-AWEZNQCLSA-N 1 0 273.417 2.055 10 0 CEAERO [NH3+]C[C@H]1CCCCN1c1ncnc2c1CCCCC2 ZINC000094888086 136514782 /nfs/dbraw/zinc/51/47/82/136514782.db2.gz KKLFEXLGSRDWJH-GFCCVEGCSA-N 1 0 260.385 2.063 10 0 CEAERO CC(C)N(CC[C@@](C)(CO)[NH2+]C1CC1)CC(F)(F)F ZINC000085241532 178981637 /nfs/dbraw/zinc/98/16/37/178981637.db2.gz ZMQFBTNBMKEKMI-LBPRGKRZSA-N 1 0 282.350 2.152 10 0 CEAERO CCN(CCC[C@@](C)(CO)[NH2+]C(C)C)CC(F)(F)F ZINC000085241602 178981847 /nfs/dbraw/zinc/98/18/47/178981847.db2.gz LPZXVKFECCPZGC-LBPRGKRZSA-N 1 0 284.366 2.400 10 0 CEAERO CC(C)([C@H](CCC[C@H]1CCCO1)NN)[NH+]1CCCC1 ZINC000097581339 185629749 /nfs/dbraw/zinc/62/97/49/185629749.db2.gz BMINCEFHJZBDKI-KBPBESRZSA-N 1 0 269.433 2.042 10 0 CEAERO C[C@@]([NH3+])(CO)CCCOc1cccc2cccnc21 ZINC000085282584 179000006 /nfs/dbraw/zinc/00/00/06/179000006.db2.gz WRELSGBGAAZYCV-HNNXBMFYSA-N 1 0 260.337 2.104 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)COc1ccc(F)cc1F ZINC000085283046 179000736 /nfs/dbraw/zinc/00/07/36/179000736.db2.gz KWRTTXSPMQOYNZ-ZDUSSCGKSA-N 1 0 259.296 2.093 10 0 CEAERO C[NH2+][C@](C)(CO)CCCOc1c(C)cccc1C ZINC000085283219 179000876 /nfs/dbraw/zinc/00/08/76/179000876.db2.gz KYVZJFJLLYFLMD-HNNXBMFYSA-N 1 0 251.370 2.433 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)CCCOCC(F)(F)F ZINC000085282780 179001020 /nfs/dbraw/zinc/00/10/20/179001020.db2.gz ZVUXDLYOHADQOX-SNVBAGLBSA-N 1 0 257.296 2.095 10 0 CEAERO C[NH2+][C@@](C)(CO)COc1cc(C)ccc1C(C)C ZINC000085284196 179001917 /nfs/dbraw/zinc/00/19/17/179001917.db2.gz DMXVUULMIGSHQU-HNNXBMFYSA-N 1 0 251.370 2.468 10 0 CEAERO CC[NH2+][C@](C)(CO)C[C@@H](C)Oc1cccc(OC)c1 ZINC000085284001 179001926 /nfs/dbraw/zinc/00/19/26/179001926.db2.gz CGOMQPIHLHYMRQ-DOMZBBRYSA-N 1 0 267.369 2.213 10 0 CEAERO C[NH2+][C@@](C)(CO)COc1ccc(C(C)(C)C)cc1 ZINC000085284322 179001995 /nfs/dbraw/zinc/00/19/95/179001995.db2.gz IVGQXVBFWZXDJY-HNNXBMFYSA-N 1 0 251.370 2.333 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)CCn1cnc2ccccc21 ZINC000085263579 178994096 /nfs/dbraw/zinc/99/40/96/178994096.db2.gz QEOSLKCPQHCAAT-HNNXBMFYSA-N 1 0 261.369 2.175 10 0 CEAERO C[C@](CO)(CCCCn1cc(Cl)cn1)[NH2+]C1CC1 ZINC000085263857 178994198 /nfs/dbraw/zinc/99/41/98/178994198.db2.gz VNDXQALGTRXUGI-CYBMUJFWSA-N 1 0 271.792 2.210 10 0 CEAERO CN(C)c1cccc(OCCCC[C@@](C)([NH3+])CO)c1 ZINC000085266890 178996844 /nfs/dbraw/zinc/99/68/44/178996844.db2.gz QWJOIOMGNYVODN-OAHLLOKOSA-N 1 0 266.385 2.011 10 0 CEAERO CCCCOCCOCCCC[C@](C)(CO)[NH2+]CC ZINC000085267890 178997511 /nfs/dbraw/zinc/99/75/11/178997511.db2.gz KRNMFODQUNOKDO-OAHLLOKOSA-N 1 0 275.433 2.351 10 0 CEAERO CC[NH+](CC)CC[C@H](NN)c1ccc2cccnc2c1 ZINC000097591756 185634975 /nfs/dbraw/zinc/63/49/75/185634975.db2.gz KJXSBMNKJNUANB-HNNXBMFYSA-N 1 0 272.396 2.471 10 0 CEAERO CC[C@@H]1CCC[C@@H](OCC[C@@H](CO)[NH2+]C2CC2)C1 ZINC000085287420 179004818 /nfs/dbraw/zinc/00/48/18/179004818.db2.gz DLQZQSIAZKGWQO-VHDGCEQUSA-N 1 0 255.402 2.475 10 0 CEAERO CCC[NH2+][C@@](C)(CO)COc1ccc(F)c(F)c1 ZINC000085286799 179004834 /nfs/dbraw/zinc/00/48/34/179004834.db2.gz PPNWSUURJHXFSV-ZDUSSCGKSA-N 1 0 259.296 2.094 10 0 CEAERO CC[C@@H]1CCC[C@H](OCC[C@@H](CO)[NH2+]C2CC2)C1 ZINC000085287417 179004869 /nfs/dbraw/zinc/00/48/69/179004869.db2.gz DLQZQSIAZKGWQO-SNPRPXQTSA-N 1 0 255.402 2.475 10 0 CEAERO Cc1ccc2[nH]c(SC[C@@H](CO)[NH2+]C(C)C)nc2c1 ZINC000085288259 179005103 /nfs/dbraw/zinc/00/51/03/179005103.db2.gz GJPNVRWBXMUYSL-LLVKDONJSA-N 1 0 279.409 2.322 10 0 CEAERO Cc1cccc(CSC[C@H](CO)[NH2+]C2CC2)c1 ZINC000085289175 179005346 /nfs/dbraw/zinc/00/53/46/179005346.db2.gz NYVDFKRZXKMCTE-AWEZNQCLSA-N 1 0 251.395 2.341 10 0 CEAERO Cc1ccccc1CSC[C@@]([NH3+])(CO)C1CC1 ZINC000085289247 179005475 /nfs/dbraw/zinc/00/54/75/179005475.db2.gz AWZUNJDMLJAVDA-AWEZNQCLSA-N 1 0 251.395 2.328 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCCSc1nc(C)cc(C)n1 ZINC000085287995 179005546 /nfs/dbraw/zinc/00/55/46/179005546.db2.gz BLSKXLPOKMYHJM-CQSZACIVSA-N 1 0 283.441 2.326 10 0 CEAERO CCC[NH2+][C@@](CO)(CSC1CCOCC1)C1CC1 ZINC000085290183 179006642 /nfs/dbraw/zinc/00/66/42/179006642.db2.gz CXYPZYGJXWSHSI-AWEZNQCLSA-N 1 0 273.442 2.039 10 0 CEAERO C[NH2+][C@H](CO)CCSc1ccc(C(F)(F)F)cn1 ZINC000085291797 179006967 /nfs/dbraw/zinc/00/69/67/179006967.db2.gz IIIRBQKENSDHIY-VIFPVBQESA-N 1 0 280.315 2.163 10 0 CEAERO CC[NH2+][C@@](C)(CO)CSc1nc2ccccc2[nH]1 ZINC000085291755 179007051 /nfs/dbraw/zinc/00/70/51/179007051.db2.gz IVTVEFQOWZIIAJ-ZDUSSCGKSA-N 1 0 265.382 2.016 10 0 CEAERO COc1ccc(S[C@@H](C)C[C@](C)([NH3+])CO)cc1 ZINC000085291857 179007490 /nfs/dbraw/zinc/00/74/90/179007490.db2.gz VPXAYIQIARDSDF-GWCFXTLKSA-N 1 0 255.383 2.276 10 0 CEAERO CC[NH2+][C@](C)(CO)CCOc1cc(C)cc(C)c1 ZINC000085284798 179003044 /nfs/dbraw/zinc/00/30/44/179003044.db2.gz ZMPGEYJJHSHIHN-HNNXBMFYSA-N 1 0 251.370 2.433 10 0 CEAERO C[C@](O)(C[NH3+])CCCn1ccnc1-c1ccccc1 ZINC000085304776 179011908 /nfs/dbraw/zinc/01/19/08/179011908.db2.gz KALYPJGMQHJUHI-OAHLLOKOSA-N 1 0 259.353 2.040 10 0 CEAERO COc1ccc(OCC[C@@H](O)C[NH3+])c(C(C)(C)C)c1 ZINC000085306414 179012701 /nfs/dbraw/zinc/01/27/01/179012701.db2.gz RFHPHDXZMSMWEB-LLVKDONJSA-N 1 0 267.369 2.081 10 0 CEAERO C[C@@](O)(C[NH3+])CCOc1ccccc1C(F)(F)F ZINC000085306353 179012786 /nfs/dbraw/zinc/01/27/86/179012786.db2.gz GJOWANCGFVOYDU-NSHDSACASA-N 1 0 263.259 2.184 10 0 CEAERO Cc1cccc(OC[C@@](O)(C[NH3+])c2ccccc2)c1 ZINC000085307029 179012878 /nfs/dbraw/zinc/01/28/78/179012878.db2.gz UPSICFKAWOJUMT-INIZCTEOSA-N 1 0 257.333 2.220 10 0 CEAERO CC(C)C[N@H+](C[C@@](O)(CN)c1ccccc1)C(C)C ZINC000085301513 179010278 /nfs/dbraw/zinc/01/02/78/179010278.db2.gz WXYAVPRRMMUPJL-INIZCTEOSA-N 1 0 264.413 2.199 10 0 CEAERO C[NH2+][C@@](CO)(CSc1ccc(Cl)cn1)C1CC1 ZINC000085299696 179010314 /nfs/dbraw/zinc/01/03/14/179010314.db2.gz MFWXBZBKWWLGGQ-LBPRGKRZSA-N 1 0 272.801 2.188 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1c1nc(Cc2ccc(O)cc2)no1 ZINC000085325402 179018467 /nfs/dbraw/zinc/01/84/67/179018467.db2.gz AUGFXEASEWYBLU-OLZOCXBDSA-N 1 0 273.336 2.351 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)OCc1ccccc1F ZINC000085331261 179020799 /nfs/dbraw/zinc/02/07/99/179020799.db2.gz KMYBWRFUTWKKHY-AAEUAGOBSA-N 1 0 251.301 2.386 10 0 CEAERO Cc1cc(-c2nnco2)ccc1NC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085364906 179036154 /nfs/dbraw/zinc/03/61/54/179036154.db2.gz MNMXYMVTDPTXGB-VXGBXAGGSA-N 1 0 286.335 2.111 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)N(Cc1ccccc1)C1CC1 ZINC000085358756 179031421 /nfs/dbraw/zinc/03/14/21/179031421.db2.gz BTTCQJFFXYMHSQ-CABCVRRESA-N 1 0 258.365 2.305 10 0 CEAERO CC1(C)Oc2ccc(NC(=O)[C@H]3CCC[C@H]3[NH3+])cc2O1 ZINC000085360219 179032446 /nfs/dbraw/zinc/03/24/46/179032446.db2.gz JIQNZRIUYSMBHQ-WDEREUQCSA-N 1 0 276.336 2.260 10 0 CEAERO CC(=O)Nc1ccc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])cc1C ZINC000085359883 179032519 /nfs/dbraw/zinc/03/25/19/179032519.db2.gz UITUOONVLPUWAM-KBPBESRZSA-N 1 0 289.379 2.409 10 0 CEAERO CC1(C)Oc2ccc(NC(=O)[C@H]3CCC[C@@H]3[NH3+])cc2O1 ZINC000085360215 179032598 /nfs/dbraw/zinc/03/25/98/179032598.db2.gz JIQNZRIUYSMBHQ-QWRGUYRKSA-N 1 0 276.336 2.260 10 0 CEAERO CCC(=O)Nc1ccc(C)c(NC(=O)[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000085360301 179032626 /nfs/dbraw/zinc/03/26/26/179032626.db2.gz XTRXMXFGWJMOLG-CHWSQXEVSA-N 1 0 289.379 2.409 10 0 CEAERO COC(=O)c1ccc(Cl)cc1NC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085360581 179032929 /nfs/dbraw/zinc/03/29/29/179032929.db2.gz CMOURVIOIDESOK-MWLCHTKSSA-N 1 0 296.754 2.193 10 0 CEAERO CCC(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000085362930 179033956 /nfs/dbraw/zinc/03/39/56/179033956.db2.gz JWWJAQBTXSCFRP-KGLIPLIRSA-N 1 0 289.379 2.491 10 0 CEAERO COC(=O)Nc1cccc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000085365796 179036733 /nfs/dbraw/zinc/03/67/33/179036733.db2.gz DJAMPOFXPAIMCL-STQMWFEESA-N 1 0 291.351 2.321 10 0 CEAERO CN(CCOc1ccc(Cl)cc1)C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085366726 179037177 /nfs/dbraw/zinc/03/71/77/179037177.db2.gz LELCHXDISIDIJV-ZIAGYGMSSA-N 1 0 296.798 2.305 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000085367258 179037604 /nfs/dbraw/zinc/03/76/04/179037604.db2.gz UTSDSVGDOOEGBL-HUUCEWRRSA-N 1 0 276.355 2.444 10 0 CEAERO Cc1ccsc1CN(C)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085367945 179037791 /nfs/dbraw/zinc/03/77/91/179037791.db2.gz AVNUSBVODREVDG-QWRGUYRKSA-N 1 0 252.383 2.142 10 0 CEAERO CN(CCOc1ccccc1Cl)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085367402 179037822 /nfs/dbraw/zinc/03/78/22/179037822.db2.gz SLMCRSQUGXKBSL-AAEUAGOBSA-N 1 0 296.798 2.305 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)NCc1cc2c(s1)CCC2 ZINC000085370588 179040758 /nfs/dbraw/zinc/04/07/58/179040758.db2.gz BJEPRMSLIJSKOS-OLZOCXBDSA-N 1 0 278.421 2.371 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)NCc1ccc(OC(F)F)cc1 ZINC000085370897 179041053 /nfs/dbraw/zinc/04/10/53/179041053.db2.gz VIGCSZFBRBVNOD-STQMWFEESA-N 1 0 298.333 2.422 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)NCCc1c[nH]c2ccccc12 ZINC000085371649 179041773 /nfs/dbraw/zinc/04/17/73/179041773.db2.gz ACYMANWFCAXGHO-CABCVRRESA-N 1 0 285.391 2.344 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@H]2CCC[C@@H]2[NH3+])s1 ZINC000085372559 179042082 /nfs/dbraw/zinc/04/20/82/179042082.db2.gz VGHONLCIPJTZSD-DCAQKATOSA-N 1 0 252.383 2.361 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)N1CCCc2ccccc2C1 ZINC000085375014 179043201 /nfs/dbraw/zinc/04/32/01/179043201.db2.gz LYFGIOXTPWJQMT-CVEARBPZSA-N 1 0 272.392 2.479 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)N1CCC2(CCCC2)CC1 ZINC000085375067 179043243 /nfs/dbraw/zinc/04/32/43/179043243.db2.gz DBCPPNPVPNKOEV-CHWSQXEVSA-N 1 0 250.386 2.297 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)N[C@@H]1CCCc2sccc21 ZINC000085374457 179043373 /nfs/dbraw/zinc/04/33/73/179043373.db2.gz SCHUUGRSYQOBPV-ZMLRMANQSA-N 1 0 264.394 2.369 10 0 CEAERO CN(C[C@@H]1C[C@H]2CC[C@@H]1C2)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085375479 179044183 /nfs/dbraw/zinc/04/41/83/179044183.db2.gz IWKJWDDCFXVAJD-VJTDZRGJSA-N 1 0 250.386 2.008 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCN2C)C1(C)C ZINC000085398045 179050688 /nfs/dbraw/zinc/05/06/88/179050688.db2.gz OJIHYDFSHAORMQ-MELADBBJSA-N 1 0 254.418 2.264 10 0 CEAERO Clc1ccc(N2CCC([NH2+]CC3CC3)CC2)nn1 ZINC000112344804 136532159 /nfs/dbraw/zinc/53/21/59/136532159.db2.gz AUVIZPWLAQIAQJ-UHFFFAOYSA-N 1 0 266.776 2.098 10 0 CEAERO CC(C)n1ccc(CN2CC[NH2+]C3(CCCC3)C2)n1 ZINC000085435333 179061670 /nfs/dbraw/zinc/06/16/70/179061670.db2.gz QALBIONRPITNEV-UHFFFAOYSA-N 1 0 262.401 2.182 10 0 CEAERO c1cncc(CN2CC[NH2+][C@H](C3CCCCC3)C2)c1 ZINC000085435524 179061990 /nfs/dbraw/zinc/06/19/90/179061990.db2.gz OGESJNCFIOHSAN-INIZCTEOSA-N 1 0 259.397 2.436 10 0 CEAERO Cc1ccc(-c2ccc(N3CC[C@H]([NH3+])C3)nn2)c(C)c1 ZINC000062202244 362714704 /nfs/dbraw/zinc/71/47/04/362714704.db2.gz NNRRNNJIDKICGA-ZDUSSCGKSA-N 1 0 268.364 2.298 10 0 CEAERO C[C@H]1C[N@H+](C[C@@H]2CCOC2)C2(CCCCC2)CN1 ZINC000085454509 179068222 /nfs/dbraw/zinc/06/82/22/179068222.db2.gz NVMNQRVSHBBHGI-KBPBESRZSA-N 1 0 252.402 2.020 10 0 CEAERO CC(C)[C@H]1C[N@H+](CC2CCOCC2)C(C)(C)CN1 ZINC000085467645 179072660 /nfs/dbraw/zinc/07/26/60/179072660.db2.gz FBJVLUJGVNEWST-CQSZACIVSA-N 1 0 254.418 2.121 10 0 CEAERO Fc1ccc(CN2CC[NH2+]C[C@@H]2C2CC2)c(F)c1 ZINC000085451363 179065576 /nfs/dbraw/zinc/06/55/76/179065576.db2.gz CCXCNUIARIOZDT-CQSZACIVSA-N 1 0 252.308 2.149 10 0 CEAERO CC[C@@H](C)[C@H]1C[NH2+]CCN1Cc1ccn(C(C)C)n1 ZINC000085452868 179066033 /nfs/dbraw/zinc/06/60/33/179066033.db2.gz CXRPMBUJAPVVNG-UKRRQHHQSA-N 1 0 264.417 2.284 10 0 CEAERO CC(C)OCCN1CC[NH2+]C[C@@H]1C1CCCCC1 ZINC000085452932 179066307 /nfs/dbraw/zinc/06/63/07/179066307.db2.gz TZMFCCFLNPVCES-OAHLLOKOSA-N 1 0 254.418 2.266 10 0 CEAERO CO[C@H]1CCC[C@@H]([N@@H+]2CCNCC23CCCC3)C1 ZINC000085452302 179066435 /nfs/dbraw/zinc/06/64/35/179066435.db2.gz YVOJSNPMMQJMEZ-KGLIPLIRSA-N 1 0 252.402 2.162 10 0 CEAERO c1cc(CN2CC[NH2+]C[C@H]2C2CCCCC2)ccn1 ZINC000085452989 179066874 /nfs/dbraw/zinc/06/68/74/179066874.db2.gz JEGVTPYKFPMKLH-INIZCTEOSA-N 1 0 259.397 2.436 10 0 CEAERO C[C@H]1CN(CCc2ccsc2)[C@H](C2CC2)C[NH2+]1 ZINC000085453705 179067261 /nfs/dbraw/zinc/06/72/61/179067261.db2.gz UCOOIMXDQVKNER-FZMZJTMJSA-N 1 0 250.411 2.363 10 0 CEAERO CC[C@@H]1CN[C@H](C)C[N@@H+]1CCCOCC(F)(F)F ZINC000085453308 179067392 /nfs/dbraw/zinc/06/73/92/179067392.db2.gz YGFBAKMPOUUZAW-GHMZBOCLSA-N 1 0 268.323 2.028 10 0 CEAERO CCC[C@H]1CN[C@@H](CC)C[N@@H+]1CCCn1ccnc1 ZINC000085472546 179076944 /nfs/dbraw/zinc/07/69/44/179076944.db2.gz IJORBALVNYMIQS-GJZGRUSLSA-N 1 0 264.417 2.126 10 0 CEAERO CC[C@@H](Cc1cc(NC(C)=O)ccc1OC)[NH2+]C ZINC000098128722 185690012 /nfs/dbraw/zinc/69/00/12/185690012.db2.gz SLXFKXWARWVGMB-LBPRGKRZSA-N 1 0 250.342 2.194 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1CCOCC(F)(F)F ZINC000085475249 179078495 /nfs/dbraw/zinc/07/84/95/179078495.db2.gz ILDJAKAKGVAGNX-GHMZBOCLSA-N 1 0 282.350 2.274 10 0 CEAERO CC[C@@H]1CN(C[C@@H]2CCCO2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085475091 179078765 /nfs/dbraw/zinc/07/87/65/179078765.db2.gz SUFOXQBSEDXVBX-QLFBSQMISA-N 1 0 252.402 2.018 10 0 CEAERO CC[C@@H]1CN(C[C@@H]2CCCO2)C2(CCCC2)C[NH2+]1 ZINC000085474832 179079168 /nfs/dbraw/zinc/07/91/68/179079168.db2.gz NHLXIJAYOXPYDY-KGLIPLIRSA-N 1 0 252.402 2.162 10 0 CEAERO CC(C)C[C@@H]1C[N@H+](C[C@@H]2CCOC2)[C@H](C2CC2)CN1 ZINC000085488177 179081318 /nfs/dbraw/zinc/08/13/18/179081318.db2.gz SZVRZMOVMNAEDX-IMJJTQAJSA-N 1 0 266.429 2.121 10 0 CEAERO CCn1cc(CN2CC(C)(C)[NH2+]C[C@H]2C(C)C)cn1 ZINC000085469904 179075650 /nfs/dbraw/zinc/07/56/50/179075650.db2.gz CFMUJSDRDHKWFM-AWEZNQCLSA-N 1 0 264.417 2.111 10 0 CEAERO CC(C)[C@@H]1CN[C@@](C)(C2CC2)C[N@@H+]1CCCn1ccnc1 ZINC000085512037 179085316 /nfs/dbraw/zinc/08/53/16/179085316.db2.gz BNQBETSOHBMWIE-DLBZAZTESA-N 1 0 290.455 2.372 10 0 CEAERO CCC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1ncccn1 ZINC000085511401 179085650 /nfs/dbraw/zinc/08/56/50/179085650.db2.gz RYKNOVWUQYIVDS-ZBFHGGJFSA-N 1 0 274.412 2.219 10 0 CEAERO CC(C)[C@H]1CN[C@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085512268 179086218 /nfs/dbraw/zinc/08/62/18/179086218.db2.gz IRLAFZJSIIZGRP-XHSDSOJGSA-N 1 0 266.429 2.264 10 0 CEAERO CC(C)C[C@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1cnn(C)c1 ZINC000085513463 179086611 /nfs/dbraw/zinc/08/66/11/179086611.db2.gz YEVMMONIRDEQFR-DLBZAZTESA-N 1 0 290.455 2.409 10 0 CEAERO CCC1(CC)CN(CCn2cccn2)[C@@H](C2CC2)C[NH2+]1 ZINC000085519231 179087597 /nfs/dbraw/zinc/08/75/97/179087597.db2.gz GOIGCBIRZIKFNO-OAHLLOKOSA-N 1 0 276.428 2.126 10 0 CEAERO CCn1cc(CN2C[C@@H](C3CC3)[NH2+]C[C@@H]2C(C)C)cn1 ZINC000085524465 179088679 /nfs/dbraw/zinc/08/86/79/179088679.db2.gz NZKKVBYZXRZYJW-JKSUJKDBSA-N 1 0 276.428 2.111 10 0 CEAERO CCC[C@@H]1C[NH2+]C(CC)(CC)CN1[C@@H]1CCOC1 ZINC000085517753 179087827 /nfs/dbraw/zinc/08/78/27/179087827.db2.gz PWKNEHLTKKBRKR-ZIAGYGMSSA-N 1 0 254.418 2.408 10 0 CEAERO CCC[C@@H]1C[NH2+][C@H](C2CC2)CN1CCOCC(F)(F)F ZINC000085523275 179088701 /nfs/dbraw/zinc/08/87/01/179088701.db2.gz QKQBRBDCJNCRAZ-OLZOCXBDSA-N 1 0 294.361 2.418 10 0 CEAERO CC[C@@H](C)[C@H]1CN(C[C@@H]2CCCO2)[C@H](C2CC2)C[NH2+]1 ZINC000085492145 179082510 /nfs/dbraw/zinc/08/25/10/179082510.db2.gz WAGAZHJRWATXRA-BVUBDWEXSA-N 1 0 266.429 2.264 10 0 CEAERO CC(C)[C@H]1CNC2(CCCC2)C[N@@H+]1[C@@H]1CCOC1 ZINC000085498077 179082794 /nfs/dbraw/zinc/08/27/94/179082794.db2.gz JJXAUCSUWHVAQQ-ZIAGYGMSSA-N 1 0 252.402 2.018 10 0 CEAERO CCn1cc(CN2CC3(CCCC3)[NH2+]C[C@H]2C)cn1 ZINC000085497597 179082837 /nfs/dbraw/zinc/08/28/37/179082837.db2.gz LHWYCPMREFHNHP-CYBMUJFWSA-N 1 0 262.401 2.010 10 0 CEAERO CC1(C)CNC2(CCCC2)C[N@@H+]1C[C@H]1CCOC1 ZINC000085498569 179083350 /nfs/dbraw/zinc/08/33/50/179083350.db2.gz NDDXZGSYZNZAKQ-CYBMUJFWSA-N 1 0 252.402 2.020 10 0 CEAERO C([C@@H]1CCOC1)[N@@H+]1CC2(CCCC2)NC[C@@H]1C1CC1 ZINC000085498309 179083368 /nfs/dbraw/zinc/08/33/68/179083368.db2.gz MTUPSZGMCDEHLD-DZGCQCFKSA-N 1 0 264.413 2.020 10 0 CEAERO CC[C@H]1CN[C@H](c2ccccc2)C[N@@H+]1CCCOC ZINC000085505068 179084453 /nfs/dbraw/zinc/08/44/53/179084453.db2.gz LVARIEUJJBWUFO-HOTGVXAUSA-N 1 0 262.397 2.448 10 0 CEAERO CC[C@@H](C)[C@@H]1CN[C@H](C2CC2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085525110 179089142 /nfs/dbraw/zinc/08/91/42/179089142.db2.gz YIMFUUCPNQYLJG-OEAJRASXSA-N 1 0 266.429 2.264 10 0 CEAERO c1cncc(CN2C[C@@H](C3CC3)[NH2+]C[C@@H]2C2CC2)c1 ZINC000085526541 179089279 /nfs/dbraw/zinc/08/92/79/179089279.db2.gz MRYWXZMEOPUAMP-JKSUJKDBSA-N 1 0 257.381 2.044 10 0 CEAERO COCCC[N@@H+]1C[C@@H](C2CC2)NC[C@@H]1CC(C)C ZINC000085525560 179089444 /nfs/dbraw/zinc/08/94/44/179089444.db2.gz YBGOPFVOBUMKHG-GJZGRUSLSA-N 1 0 254.418 2.121 10 0 CEAERO Cc1nccn1CCN1C[C@H](C2CC2)[NH2+]C[C@@H]1CC(C)C ZINC000085525762 179089637 /nfs/dbraw/zinc/08/96/37/179089637.db2.gz ARAOPLOYGNMAEX-DLBZAZTESA-N 1 0 290.455 2.290 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@H](C2CC2)CN1C[C@@H]1CCCO1 ZINC000085528399 179090772 /nfs/dbraw/zinc/09/07/72/179090772.db2.gz ISLVNFJKIQESCE-KKUMJFAQSA-N 1 0 252.402 2.018 10 0 CEAERO CC[C@]1(C)C[NH2+][C@H](C2CC2)CN1Cc1cccc(OC)n1 ZINC000085528440 179090818 /nfs/dbraw/zinc/09/08/18/179090818.db2.gz IHFLABSFHMQBHB-DOTOQJQBSA-N 1 0 289.423 2.443 10 0 CEAERO CC1(C)C[NH2+][C@H](C2CC2)CN1C[C@@H]1CCCCO1 ZINC000085527897 179090937 /nfs/dbraw/zinc/09/09/37/179090937.db2.gz UBJPLPPQVZRSTH-KBPBESRZSA-N 1 0 252.402 2.018 10 0 CEAERO CC[C@]1(C)C[NH2+][C@@H](C2CC2)CN1CCOC(C)C ZINC000085528179 179091136 /nfs/dbraw/zinc/09/11/36/179091136.db2.gz KNNJHEBUDLZTOO-HUUCEWRRSA-N 1 0 254.418 2.264 10 0 CEAERO C[C@@H]1CN[C@](C)(c2ccccc2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085531708 179091335 /nfs/dbraw/zinc/09/13/35/179091335.db2.gz BRPUYZLVBUCNEN-PVAVHDDUSA-N 1 0 274.408 2.375 10 0 CEAERO C[C@@]1(C2CC2)CN[C@@H](C2CC2)C[N@@H+]1CCCn1ccnc1 ZINC000085529333 179091613 /nfs/dbraw/zinc/09/16/13/179091613.db2.gz WISYGTCZQQGSGF-SJORKVTESA-N 1 0 288.439 2.126 10 0 CEAERO Cc1ccc(F)c(O[C@H]2CC3(CC[C@@H]2[NH3+])OCCO3)c1 ZINC000085553824 179093156 /nfs/dbraw/zinc/09/31/56/179093156.db2.gz YIDWUMWFUVTLRE-JSGCOSHPSA-N 1 0 281.327 2.136 10 0 CEAERO CCCc1nc2c(n1[C@@H](C)[C@H]1CCCO1)CC[NH2+]C2 ZINC000085570148 179096028 /nfs/dbraw/zinc/09/60/28/179096028.db2.gz ILVBRTXTKNZSOR-SMDDNHRTSA-N 1 0 263.385 2.221 10 0 CEAERO Cc1nc2c(n1-c1ccccc1OC(F)F)CC[NH2+]C2 ZINC000085569665 179096043 /nfs/dbraw/zinc/09/60/43/179096043.db2.gz MPTHTBJSRACXJV-UHFFFAOYSA-N 1 0 279.290 2.428 10 0 CEAERO O[C@H]1CCCC[C@H]1n1c2c(nc1C(F)(F)F)C[NH2+]CC2 ZINC000085571303 179096941 /nfs/dbraw/zinc/09/69/41/179096941.db2.gz HMUHGBPSSGTHMI-MNOVXSKESA-N 1 0 289.301 2.024 10 0 CEAERO CCCc1nc2c(n1CCC(F)(F)F)CC[NH2+]C2 ZINC000085572235 179097157 /nfs/dbraw/zinc/09/71/57/179097157.db2.gz PUOPDPDVTXTYIP-UHFFFAOYSA-N 1 0 261.291 2.434 10 0 CEAERO C[C@H]1CC[NH2+][C@@](C)(C2CC2)CN1CC(F)(F)F ZINC000085623851 179106564 /nfs/dbraw/zinc/10/65/64/179106564.db2.gz MGBRFRBXWZGYGA-GXSJLCMTSA-N 1 0 250.308 2.401 10 0 CEAERO CC[C@H](COC)n1c2c(nc1C(C)C)C[NH2+]CC2 ZINC000085574823 179099083 /nfs/dbraw/zinc/09/90/83/179099083.db2.gz WGOSDPCHOWCFJP-LLVKDONJSA-N 1 0 251.374 2.250 10 0 CEAERO CC[C@@H](C)[C@H]1C[N@H+](CC2CCOCC2)CCCN1 ZINC000085609770 179101745 /nfs/dbraw/zinc/10/17/45/179101745.db2.gz JWNTWWGZJOZOIE-UKRRQHHQSA-N 1 0 254.418 2.123 10 0 CEAERO C[C@@]1(c2ccccc2)CN(CC(F)F)CCC[NH2+]1 ZINC000085615482 179104525 /nfs/dbraw/zinc/10/45/25/179104525.db2.gz NLLOVWALISUOID-AWEZNQCLSA-N 1 0 254.324 2.462 10 0 CEAERO C[C@H]1CCN[C@](C)(C2CC2)C[N@@H+]1CCCn1ccnc1 ZINC000085623478 179105041 /nfs/dbraw/zinc/10/50/41/179105041.db2.gz FPAGZJLCKZCJSK-HOCLYGCPSA-N 1 0 276.428 2.126 10 0 CEAERO COc1ccc(CN2C[C@@H](C)[NH2+]CC[C@@H]2C)cc1OC ZINC000085619940 179105424 /nfs/dbraw/zinc/10/54/24/179105424.db2.gz USVRYKULQCJEDO-OLZOCXBDSA-N 1 0 278.396 2.276 10 0 CEAERO C[C@H]1CCN[C@@H](c2ccccc2)C[N@@H+]1CCn1cccn1 ZINC000085621443 179105967 /nfs/dbraw/zinc/10/59/67/179105967.db2.gz UZXYHANZNSAEDS-DOTOQJQBSA-N 1 0 284.407 2.308 10 0 CEAERO Cc1nccc(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)n1 ZINC000085674992 179111709 /nfs/dbraw/zinc/11/17/09/179111709.db2.gz LGXYNNLBZXGCGD-MCIONIFRSA-N 1 0 261.369 2.078 10 0 CEAERO CC1(C)[C@H]([NH2+][C@@H]2CCCC[C@@H]2O)[C@@H]2CCCO[C@@H]21 ZINC000085676203 179112527 /nfs/dbraw/zinc/11/25/27/179112527.db2.gz LQMXSGAZXKWTAJ-VJTDZRGJSA-N 1 0 253.386 2.083 10 0 CEAERO Cc1cc(C[NH2+]CCCC(N)=O)ccc1Br ZINC000085706762 179121935 /nfs/dbraw/zinc/12/19/35/179121935.db2.gz IJMJUZJTQYBMJQ-UHFFFAOYSA-N 1 0 285.185 2.113 10 0 CEAERO OC[C@@H]([NH2+][C@@H]1CCSC1)c1ccc(Cl)cc1 ZINC000129253810 365840173 /nfs/dbraw/zinc/84/01/73/365840173.db2.gz SOBDTEYBDIPCIA-VXGBXAGGSA-N 1 0 257.786 2.469 10 0 CEAERO Cc1ccc(C[NH3+])c(N2CCN(C)c3ccccc32)n1 ZINC000111458843 136562092 /nfs/dbraw/zinc/56/20/92/136562092.db2.gz WMIWTUJPNNOOCT-UHFFFAOYSA-N 1 0 268.364 2.437 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)N(C)C[C@@H](C)Cc1ccc(OC)cc1 ZINC000236892273 370648404 /nfs/dbraw/zinc/64/84/04/370648404.db2.gz PYCAZBNVOOCRKB-XJKSGUPXSA-N 1 0 292.423 2.460 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)c2cc(Cl)ncc2Cl)C1 ZINC000129312556 365846736 /nfs/dbraw/zinc/84/67/36/365846736.db2.gz JSDJYNVBUAHXRL-QMMMGPOBSA-N 1 0 288.178 2.165 10 0 CEAERO COc1ccc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)cc1O ZINC000128431034 187369976 /nfs/dbraw/zinc/36/99/76/187369976.db2.gz RHNONGCYRFYOQK-ZDUSSCGKSA-N 1 0 287.363 2.124 10 0 CEAERO CN(C)C[C@H]([NH3+])Cc1cc(F)ccc1Br ZINC000085798101 179172895 /nfs/dbraw/zinc/17/28/95/179172895.db2.gz XKIKSRSJMNJACD-SNVBAGLBSA-N 1 0 275.165 2.020 10 0 CEAERO CN(C)C[C@@H]([NH3+])Cc1cc(Br)ccc1F ZINC000085797884 179172995 /nfs/dbraw/zinc/17/29/95/179172995.db2.gz LFSDVUYRAIZSKH-JTQLQIEISA-N 1 0 275.165 2.020 10 0 CEAERO [NH3+]Cc1ccccc1NC(=O)c1ccc2c[nH]nc2c1 ZINC000085810047 179177584 /nfs/dbraw/zinc/17/75/84/179177584.db2.gz XPKDUOQEOCRNKO-UHFFFAOYSA-N 1 0 266.304 2.274 10 0 CEAERO Cc1ccc2c(c1)nc([C@@]1([NH3+])CCOC1)n2C1CC1 ZINC000085849495 179187325 /nfs/dbraw/zinc/18/73/25/179187325.db2.gz LXOCWKQGXDIITP-OAHLLOKOSA-N 1 0 257.337 2.254 10 0 CEAERO CC(C)(C)[C@H](NC(=O)[C@@]1([NH3+])CCOC1)c1ccccc1 ZINC000085871714 179193083 /nfs/dbraw/zinc/19/30/83/179193083.db2.gz FYYIRMIRZGRHNB-CZUORRHYSA-N 1 0 276.380 2.008 10 0 CEAERO CCc1ccc([C@@H](NC(=O)[C@@]2([NH3+])CCOC2)C(C)C)cc1 ZINC000085912414 179197097 /nfs/dbraw/zinc/19/70/97/179197097.db2.gz RITAZBBROSPFPC-DOTOQJQBSA-N 1 0 290.407 2.180 10 0 CEAERO [NH3+][C@]1(C(=O)N2CCC[C@@H]2c2ccccc2Cl)CCOC1 ZINC000085877995 179195360 /nfs/dbraw/zinc/19/53/60/179195360.db2.gz ITHOMBFBSVWSIU-UKRRQHHQSA-N 1 0 294.782 2.121 10 0 CEAERO Cc1cc(C(=O)NC[C@H]2CCCC[C@@H]2[NH3+])ccc1F ZINC000085964847 179205202 /nfs/dbraw/zinc/20/52/02/179205202.db2.gz MZVNMAMDHFLVPY-OCCSQVGLSA-N 1 0 264.344 2.381 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1CNC(=O)c1cccc2cccnc21 ZINC000085966490 179206113 /nfs/dbraw/zinc/20/61/13/179206113.db2.gz DPCAHCJZJBYFTB-DZGCQCFKSA-N 1 0 283.375 2.482 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1CNC(=O)Nc1ccccc1F ZINC000085969929 179206352 /nfs/dbraw/zinc/20/63/52/179206352.db2.gz CNASACIIEFXNDG-CMPLNLGQSA-N 1 0 265.332 2.465 10 0 CEAERO Cc1ccc(S(=O)(=O)NC[C@H]2CCCC[C@@H]2[NH3+])c(C)c1 ZINC000085971585 179206782 /nfs/dbraw/zinc/20/67/82/179206782.db2.gz FHDSPMSIWLDAQS-KGLIPLIRSA-N 1 0 296.436 2.099 10 0 CEAERO CS(=O)(=O)c1ccc(NC[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000085973955 179207977 /nfs/dbraw/zinc/20/79/77/179207977.db2.gz IKOHRLVVNMQLDN-FZMZJTMJSA-N 1 0 282.409 2.020 10 0 CEAERO C[NH2+][C@@H](CCO)COc1cc(C)ccc1C(C)C ZINC000085924370 179201029 /nfs/dbraw/zinc/20/10/29/179201029.db2.gz OXIBBYMANRDVLZ-ZDUSSCGKSA-N 1 0 251.370 2.468 10 0 CEAERO C[NH2+][C@H](CCO)C[S@](=O)c1ccc(C(C)(C)C)cc1 ZINC000085927478 179202052 /nfs/dbraw/zinc/20/20/52/179202052.db2.gz WQEIBJLMGDZVDY-BFUOFWGJSA-N 1 0 283.437 2.062 10 0 CEAERO CCC[NH2+][C@@H](CCO)C[S@@](=O)c1ccccc1Cl ZINC000085926315 179202433 /nfs/dbraw/zinc/20/24/33/179202433.db2.gz BFWGZBZEDKPVJF-VOJFVSQTSA-N 1 0 289.828 2.198 10 0 CEAERO CC[NH2+][C@@H](CCO)CSc1nc2ccccc2[nH]1 ZINC000085928506 179202783 /nfs/dbraw/zinc/20/27/83/179202783.db2.gz UHPKKILAACHVAG-JTQLQIEISA-N 1 0 265.382 2.016 10 0 CEAERO Cc1[nH+]c2cc(N)ccc2n1C[C@@H]1CCCC[C@@H]1O ZINC000086017965 179217243 /nfs/dbraw/zinc/21/72/43/179217243.db2.gz UMGSUKWWLODEQB-NHYWBVRUSA-N 1 0 259.353 2.478 10 0 CEAERO Cc1nn(C)c(C)c1[C@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000085980073 179209204 /nfs/dbraw/zinc/20/92/04/179209204.db2.gz QKXWYGSXVAHXJD-BPNCWPANSA-N 1 0 265.401 2.239 10 0 CEAERO Cc1nn(C)c(C)c1[C@H](C)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000085980076 179209398 /nfs/dbraw/zinc/20/93/98/179209398.db2.gz QKXWYGSXVAHXJD-GDLCADMTSA-N 1 0 265.401 2.239 10 0 CEAERO CCCc1ccc([C@@H]([NH2+]C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000086020578 179217799 /nfs/dbraw/zinc/21/77/99/179217799.db2.gz VIDCAWFXIZBAIH-LSDHHAIUSA-N 1 0 281.421 2.334 10 0 CEAERO CC(C)[C@H](CC[NH3+])CCC(=O)NC[C@H]1CCCC[C@@H]1O ZINC000085986139 179211349 /nfs/dbraw/zinc/21/13/49/179211349.db2.gz MCJMCZXLNQEULM-ZNMIVQPWSA-N 1 0 284.444 2.055 10 0 CEAERO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)C(=O)Nc1ccccc1 ZINC000085986240 179212142 /nfs/dbraw/zinc/21/21/42/179212142.db2.gz PMXBRNOPOTXSIM-YDHLFZDLSA-N 1 0 276.380 2.154 10 0 CEAERO CCC[NH2+][C@H]1CC[C@H](Sc2nncn2C)[C@@H]1C ZINC000086044714 179222749 /nfs/dbraw/zinc/22/27/49/179222749.db2.gz FKIJFUSFHNUTFE-VWYCJHECSA-N 1 0 254.403 2.074 10 0 CEAERO CCC[NH2+][C@@H]1CC[C@H](Sc2nncn2C)[C@@H]1C ZINC000086044712 179223095 /nfs/dbraw/zinc/22/30/95/179223095.db2.gz FKIJFUSFHNUTFE-MXWKQRLJSA-N 1 0 254.403 2.074 10 0 CEAERO CC[NH2+][C@@H]1CC[C@H](Sc2ncnc3[nH]cnc32)[C@@H]1C ZINC000086045353 179223146 /nfs/dbraw/zinc/22/31/46/179223146.db2.gz AHIZRTGNVKWOET-BBBLOLIVSA-N 1 0 277.397 2.222 10 0 CEAERO C[C@@H]1[C@@H](C)CC[C@@H]1NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000086076481 179225666 /nfs/dbraw/zinc/22/56/66/179225666.db2.gz LUTGZTCGWDFWGE-NEBZKDRISA-N 1 0 260.381 2.107 10 0 CEAERO [NH3+][C@@H](Cc1cccc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000086025196 179219255 /nfs/dbraw/zinc/21/92/55/179219255.db2.gz SUOXMFZUBRIYDB-ZBFHGGJFSA-N 1 0 289.400 2.144 10 0 CEAERO CCC[NH2+][C@H](Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000086026040 179219382 /nfs/dbraw/zinc/21/93/82/179219382.db2.gz AHDHATHGNHJYBG-UKRRQHHQSA-N 1 0 299.411 2.171 10 0 CEAERO CCC[NH2+][C@H](Cc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000086026639 179219797 /nfs/dbraw/zinc/21/97/97/179219797.db2.gz KECJMXAIBKVOFK-HZPDHXFCSA-N 1 0 295.448 2.340 10 0 CEAERO COc1ccc(CCN2CC[NH2+][C@@H](C(C)C)C2)cc1OC ZINC000086123828 179235787 /nfs/dbraw/zinc/23/57/87/179235787.db2.gz SOJVQJIQXFCGBQ-OAHLLOKOSA-N 1 0 292.423 2.176 10 0 CEAERO c1cc(CCN2CC[NH2+][C@@H](C3CCCCC3)C2)ccn1 ZINC000086141992 179237976 /nfs/dbraw/zinc/23/79/76/179237976.db2.gz JZVCHMREUFSKBP-QGZVFWFLSA-N 1 0 273.424 2.478 10 0 CEAERO CCOCCCN1C[C@@H](Cc2ccccc2)[NH2+]C[C@@H]1C ZINC000086153050 179240301 /nfs/dbraw/zinc/24/03/01/179240301.db2.gz HYXSTPALTVYDRC-DOTOQJQBSA-N 1 0 276.424 2.318 10 0 CEAERO C[C@@]1(C2CC2)CN(CCOC2CCCC2)CC[NH2+]1 ZINC000086149506 179240532 /nfs/dbraw/zinc/24/05/32/179240532.db2.gz QLSUJPTVBIHHSW-HNNXBMFYSA-N 1 0 252.402 2.020 10 0 CEAERO C[C@@]1(C2CC2)CN([C@@H]2COc3ccccc32)CC[NH2+]1 ZINC000086150085 179240681 /nfs/dbraw/zinc/24/06/81/179240681.db2.gz FKPCEIMIFVRAGH-ZBFHGGJFSA-N 1 0 258.365 2.194 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](Cc2ccccc2)CN1c1cnn(C)c1 ZINC000086154188 179241630 /nfs/dbraw/zinc/24/16/30/179241630.db2.gz QTYYFIJBQRXVNM-HZPDHXFCSA-N 1 0 284.407 2.220 10 0 CEAERO CC[C@H](C)[C@@H]1CN(Cc2nccn2C)[C@H](C(C)C)C[NH2+]1 ZINC000086175569 179245971 /nfs/dbraw/zinc/24/59/71/179245971.db2.gz BQYYNBVYBDMJBW-KKUMJFAQSA-N 1 0 278.444 2.265 10 0 CEAERO CC(C)[C@@H]1CN([C@@H]2COc3ccccc32)[C@@H](C)C[NH2+]1 ZINC000086176277 179247158 /nfs/dbraw/zinc/24/71/58/179247158.db2.gz WFGARTCPKLJBMX-AEGPPILISA-N 1 0 260.381 2.438 10 0 CEAERO Cc1cc(CN2CC[NH2+][C@@H](c3ccccc3)C2)no1 ZINC000086146064 179238999 /nfs/dbraw/zinc/23/89/99/179238999.db2.gz BGLFBBFISGOUIM-OAHLLOKOSA-N 1 0 257.337 2.130 10 0 CEAERO CC(C)[C@H]1C[NH2+][C@H](C(C)(C)C)CN1c1cnn(C)c1 ZINC000086218381 179249472 /nfs/dbraw/zinc/24/94/72/179249472.db2.gz VODHQGQBNNAZPH-KGLIPLIRSA-N 1 0 264.417 2.269 10 0 CEAERO C[C@H]1C[NH2+][C@](C)(c2ccccc2)CN1c1cnn(C)c1 ZINC000086218349 179249827 /nfs/dbraw/zinc/24/98/27/179249827.db2.gz UJQNATZDBLNZIW-BBRMVZONSA-N 1 0 270.380 2.134 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](c2ccccc2)CN1c1cnn(C)c1 ZINC000086218330 179250009 /nfs/dbraw/zinc/25/00/09/179250009.db2.gz YCOSJWVNWFWJJY-ZBFHGGJFSA-N 1 0 270.380 2.350 10 0 CEAERO CCC[C@H]1C[N@H+](C2CCOCC2)[C@H](C(C)C)CN1 ZINC000086218863 179250415 /nfs/dbraw/zinc/25/04/15/179250415.db2.gz MIOKBQPWTSNTQM-ZFWWWQNUSA-N 1 0 254.418 2.264 10 0 CEAERO C[C@H]1CN[C@](C)(c2ccccc2)C[N@@H+]1C1CCOCC1 ZINC000086218835 179251011 /nfs/dbraw/zinc/25/10/11/179251011.db2.gz NEHMGUXCLOGDNX-YOEHRIQHSA-N 1 0 274.408 2.375 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C2CC2)CN1CCc1ccccn1 ZINC000086221461 179251295 /nfs/dbraw/zinc/25/12/95/179251295.db2.gz FHUCRWKWQMXCNV-JKSUJKDBSA-N 1 0 259.397 2.087 10 0 CEAERO CC(C)C[C@H]1CN(CCc2ccncc2)[C@@H](C)C[NH2+]1 ZINC000086223343 179252507 /nfs/dbraw/zinc/25/25/07/179252507.db2.gz LRFPBUZTQNBNQV-HOCLYGCPSA-N 1 0 261.413 2.333 10 0 CEAERO CC[C@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1nccs1 ZINC000086226811 179252803 /nfs/dbraw/zinc/25/28/03/179252803.db2.gz DUZBFNJMKUJLOT-JSGCOSHPSA-N 1 0 265.426 2.496 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C2CC2)CN1Cc1csc(C)n1 ZINC000086226952 179253165 /nfs/dbraw/zinc/25/31/65/179253165.db2.gz SWMYQJYLJIMFDL-KGLIPLIRSA-N 1 0 265.426 2.414 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](C2CC2)CN1CCc1ccccc1F ZINC000086181371 179247671 /nfs/dbraw/zinc/24/76/71/179247671.db2.gz ODQYEFZMYSDXRL-MLGOLLRUSA-N 1 0 262.372 2.441 10 0 CEAERO C[C@H]1CN[C@@H](C(C)(C)C)C[N@@H+]1C[C@@H]1CCCOC1 ZINC000086260150 179259130 /nfs/dbraw/zinc/25/91/30/179259130.db2.gz QGANAGBUPUYCCN-MELADBBJSA-N 1 0 254.418 2.121 10 0 CEAERO C[C@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1ccc2c(c1)OCO2 ZINC000086263400 179260305 /nfs/dbraw/zinc/26/03/05/179260305.db2.gz OTVCUFOECTVZOU-YVEFUNNKSA-N 1 0 288.391 2.378 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@@H](C2CC2)CN1CCc1nccs1 ZINC000086264303 179260911 /nfs/dbraw/zinc/26/09/11/179260911.db2.gz NWMXLBLLUNGILL-KGLIPLIRSA-N 1 0 279.453 2.394 10 0 CEAERO CC[C@H]1C[NH2+]C(C)(C)CN1Cc1ccnc(OC)c1 ZINC000086263880 179261083 /nfs/dbraw/zinc/26/10/83/179261083.db2.gz DHGBVUCGZHYYGN-ZDUSSCGKSA-N 1 0 263.385 2.053 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C2CC2)CN1Cc1ccc(C)nc1 ZINC000086263762 179261321 /nfs/dbraw/zinc/26/13/21/179261321.db2.gz TVSWBBRMAGGHAX-HOTGVXAUSA-N 1 0 259.397 2.352 10 0 CEAERO CCC[C@@H]1C[N@H+]([C@@H]2CCCOC2)[C@H](C(C)C)CN1 ZINC000086265249 179262141 /nfs/dbraw/zinc/26/21/41/179262141.db2.gz VCJJEPYGEPEEGD-KFWWJZLASA-N 1 0 254.418 2.264 10 0 CEAERO CC[C@H](COC)[N@@H+]1C[C@H](c2ccccc2)NC[C@@H]1C ZINC000086267436 179262232 /nfs/dbraw/zinc/26/22/32/179262232.db2.gz PSCNTBYPORRJRJ-NUEKZKHPSA-N 1 0 262.397 2.446 10 0 CEAERO C[C@H]1C[NH2+]C2(CCCCC2)CN1[C@@H]1CCCOC1 ZINC000086265178 179262519 /nfs/dbraw/zinc/26/25/19/179262519.db2.gz ZGQFIOLYILGDRG-UONOGXRCSA-N 1 0 252.402 2.162 10 0 CEAERO CCN(c1nc(Br)cs1)[C@@H]1CC[NH2+]C1 ZINC000086290789 179265171 /nfs/dbraw/zinc/26/51/71/179265171.db2.gz MJPDGLDAIVGBQS-SSDOTTSWSA-N 1 0 276.203 2.094 10 0 CEAERO C[C@H]1C[C@H](N[C@@H](C[NH+](C)C)c2ccccc2)CC[N@@H+]1C ZINC000129854017 365900520 /nfs/dbraw/zinc/90/05/20/365900520.db2.gz IXNRRRANGGKUPG-UAGQMJEPSA-N 1 0 275.440 2.362 10 0 CEAERO CCC[C@@H]1CN(Cc2nc(C)cs2)CCC[NH2+]1 ZINC000086290042 179264355 /nfs/dbraw/zinc/26/43/55/179264355.db2.gz ZJSPLBDXNIIXIR-GFCCVEGCSA-N 1 0 253.415 2.416 10 0 CEAERO CC[C@@]1(C)CN(Cc2cnc(C)s2)CCC[NH2+]1 ZINC000086289952 179264664 /nfs/dbraw/zinc/26/46/64/179264664.db2.gz YHXVIHYQLGILLT-ZDUSSCGKSA-N 1 0 253.415 2.416 10 0 CEAERO CCn1cc(N2CCC[NH2+][C@@H](c3ccccc3)C2)cn1 ZINC000086287204 179264951 /nfs/dbraw/zinc/26/49/51/179264951.db2.gz VGAITUACCJFNRN-MRXNPFEDSA-N 1 0 270.380 2.444 10 0 CEAERO CC[C@@H](C)[C@H]1CN(CCc2ccccn2)CCC[NH2+]1 ZINC000086288174 179264970 /nfs/dbraw/zinc/26/49/70/179264970.db2.gz VZYSIVFLYFNYAO-GDBMZVCRSA-N 1 0 261.413 2.334 10 0 CEAERO C[C@H]1CCCN(c2nc(Br)cs2)[C@@H]1C[NH3+] ZINC000086290921 179265678 /nfs/dbraw/zinc/26/56/78/179265678.db2.gz NCPBEXCBKJIQTL-JGVFFNPUSA-N 1 0 290.230 2.469 10 0 CEAERO CCC1(CC)C[N@H+](C[C@H]2CCCOC2)CCCN1 ZINC000086292524 179266162 /nfs/dbraw/zinc/26/61/62/179266162.db2.gz SEFNFBOMMHFBNF-CQSZACIVSA-N 1 0 254.418 2.267 10 0 CEAERO CC(C)[C@@H]1CN(CCc2nccs2)CCC[NH2+]1 ZINC000086296875 179267388 /nfs/dbraw/zinc/26/73/88/179267388.db2.gz HSATZBHMPQDMFY-LBPRGKRZSA-N 1 0 253.415 2.006 10 0 CEAERO CC(C)n1cc(N2CCC[NH2+][C@@](C)(C3CC3)C2)cn1 ZINC000086295937 179267586 /nfs/dbraw/zinc/26/75/86/179267586.db2.gz GMHAHJMGICMQEW-OAHLLOKOSA-N 1 0 262.401 2.432 10 0 CEAERO CC(C)[C@H]1CN(Cc2ccc3c(c2)OCO3)CCC[NH2+]1 ZINC000086295890 179267931 /nfs/dbraw/zinc/26/79/31/179267931.db2.gz ZRTXIEQBYXULCJ-CQSZACIVSA-N 1 0 276.380 2.235 10 0 CEAERO Cc1ncsc1CN1CCC[NH2+][C@@H](C2CC2)C1 ZINC000086297159 179268140 /nfs/dbraw/zinc/26/81/40/179268140.db2.gz AOBSSAPMUOOUKS-GFCCVEGCSA-N 1 0 251.399 2.025 10 0 CEAERO C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1Cc1cc(Cl)cs1 ZINC000086333653 179273694 /nfs/dbraw/zinc/27/36/94/179273694.db2.gz UBDZKKQWWIWTLS-LNLATYFQSA-N 1 0 256.802 2.441 10 0 CEAERO CN(C[C@H]1CC[N@H+](C)C1)c1nc2c(s1)CCCC2=O ZINC000086441814 179294076 /nfs/dbraw/zinc/29/40/76/179294076.db2.gz VPLXKAOBBNEGOD-JTQLQIEISA-N 1 0 279.409 2.050 10 0 CEAERO CC[C@H]1CN(C(=O)c2ccc(OC)c(F)c2)[C@@H](CC)C[NH2+]1 ZINC000086446605 179294437 /nfs/dbraw/zinc/29/44/37/179294437.db2.gz RUOQSBMSGDOGKL-STQMWFEESA-N 1 0 294.370 2.437 10 0 CEAERO CC[C@H]1CN(C(=O)c2cc(C)ccc2O)[C@@H](CC)C[NH2+]1 ZINC000086446332 179294583 /nfs/dbraw/zinc/29/45/83/179294583.db2.gz REXIUUBYSZLCQL-STQMWFEESA-N 1 0 276.380 2.303 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)c1cc(Cl)cn1C ZINC000086446287 179294673 /nfs/dbraw/zinc/29/46/73/179294673.db2.gz SADMROMSQOIANU-NWDGAFQWSA-N 1 0 283.803 2.281 10 0 CEAERO CC[C@H]1CN(C(=O)c2n[nH]c3ccccc32)[C@@H](CC)C[NH2+]1 ZINC000086446318 179295150 /nfs/dbraw/zinc/29/51/50/179295150.db2.gz XWWIRKGPNZOBBR-RYUDHWBXSA-N 1 0 286.379 2.166 10 0 CEAERO C[NH2+][C@H]1CCCc2sc(N3C[C@@H](C)O[C@@H](C)C3)nc21 ZINC000086442199 179293360 /nfs/dbraw/zinc/29/33/60/179293360.db2.gz OPVMVHCNXOPXSG-AXFHLTTASA-N 1 0 281.425 2.354 10 0 CEAERO CC[C@@H]1C[NH+]=C(N)N1c1cccc(Br)c1 ZINC000086474566 179300322 /nfs/dbraw/zinc/30/03/22/179300322.db2.gz YXCQABJNGFYUDT-SECBINFHSA-N 1 0 268.158 2.362 10 0 CEAERO CCCN(C1(C[NH3+])CCCCC1)S(=O)(=O)CC1CC1 ZINC000086496383 179302284 /nfs/dbraw/zinc/30/22/84/179302284.db2.gz RIENRBDCQSUBAW-UHFFFAOYSA-N 1 0 288.457 2.100 10 0 CEAERO CC[C@@H](Cc1nc([C@@H]2Cc3ccccc32)no1)[NH2+]C ZINC000086492126 179302425 /nfs/dbraw/zinc/30/24/25/179302425.db2.gz JBIMLTRPQHRNOP-WCQYABFASA-N 1 0 257.337 2.298 10 0 CEAERO C[NH2+][C@H](Cc1nc([C@@H]2Cc3ccccc32)no1)C1CC1 ZINC000086492237 179302455 /nfs/dbraw/zinc/30/24/55/179302455.db2.gz JQYQSDRVXZMDNJ-ZIAGYGMSSA-N 1 0 269.348 2.298 10 0 CEAERO CC(C)[C@H]([NH3+])Cc1nc([C@@H]2Cc3ccccc32)no1 ZINC000086492141 179302646 /nfs/dbraw/zinc/30/26/46/179302646.db2.gz APEYUZLLDNIKCJ-CHWSQXEVSA-N 1 0 257.337 2.283 10 0 CEAERO CC1(C)Cc2cc(C[NH2+]CCc3c[nH]cn3)ccc2O1 ZINC000086507122 179302966 /nfs/dbraw/zinc/30/29/66/179302966.db2.gz GPYKZYLQSUUKHX-UHFFFAOYSA-N 1 0 271.364 2.456 10 0 CEAERO CC[C@H]1CN(CC(=O)Nc2cccc(C)c2)[C@@H](CC)C[NH2+]1 ZINC000086463828 179296537 /nfs/dbraw/zinc/29/65/37/179296537.db2.gz MMSRTOKMFOYHRE-HOCLYGCPSA-N 1 0 289.423 2.396 10 0 CEAERO COc1cc([C@H](C)N2C[C@@H](C)[NH2+]C[C@@H]2C)ccc1O ZINC000086466721 179296817 /nfs/dbraw/zinc/29/68/17/179296817.db2.gz DMIYULRTUVGWSM-WOPDTQHZSA-N 1 0 264.369 2.144 10 0 CEAERO COc1ccc(C[C@H](C)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1OC ZINC000086466771 179296977 /nfs/dbraw/zinc/29/69/77/179296977.db2.gz YAYMOZSWIHTPIA-RDBSUJKOSA-N 1 0 292.423 2.317 10 0 CEAERO CO[C@H](C)[C@H]([NH3+])Cc1cccc(Br)c1 ZINC000086576653 179308716 /nfs/dbraw/zinc/30/87/16/179308716.db2.gz YPNPZKFNAINJNN-LDYMZIIASA-N 1 0 258.159 2.354 10 0 CEAERO COc1ccc(Cn2c(C)c[nH+]c2N)cc1Cl ZINC000086583817 179309397 /nfs/dbraw/zinc/30/93/97/179309397.db2.gz KQQLAWMAUKAQFB-UHFFFAOYSA-N 1 0 251.717 2.484 10 0 CEAERO COc1ccc([C@@H](C[NH3+])N(C)C2CCOCC2)cc1Cl ZINC000086586531 179310453 /nfs/dbraw/zinc/31/04/53/179310453.db2.gz KQFRYPKYSZASIY-CQSZACIVSA-N 1 0 298.814 2.459 10 0 CEAERO CCN(CCOC)[C@H](C[NH3+])c1ccc(OC)c(Cl)c1 ZINC000086594968 179310719 /nfs/dbraw/zinc/31/07/19/179310719.db2.gz RGRCYRRCRMAJCU-CYBMUJFWSA-N 1 0 286.803 2.317 10 0 CEAERO C[C@@H](CNC1=[NH+]C[C@H](C)CS1)N1CCCCC1 ZINC000086633181 179314808 /nfs/dbraw/zinc/31/48/08/179314808.db2.gz MQTVXRKQYOXNHN-RYUDHWBXSA-N 1 0 255.431 2.189 10 0 CEAERO C[NH2+][C@]1(CO)CC[C@@H](Sc2nc(C)cs2)C1 ZINC000086636040 179315072 /nfs/dbraw/zinc/31/50/72/179315072.db2.gz SXKPZNLTHWQVLW-MWLCHTKSSA-N 1 0 258.412 2.047 10 0 CEAERO CN(Cc1ccc(Br)o1)CC(C)(C)C[NH3+] ZINC000086637529 179315255 /nfs/dbraw/zinc/31/52/55/179315255.db2.gz AAXOEUJBJQFNDF-UHFFFAOYSA-N 1 0 275.190 2.459 10 0 CEAERO Cc1ccc(-c2nc3cc(C[NH3+])ccc3n2C)cn1 ZINC000086637614 179315315 /nfs/dbraw/zinc/31/53/15/179315315.db2.gz CIVARRZHLKDALZ-UHFFFAOYSA-N 1 0 252.321 2.402 10 0 CEAERO Cc1nc(Sc2ccnc(C[NH3+])c2)nc(C)c1C ZINC000086644075 179315736 /nfs/dbraw/zinc/31/57/36/179315736.db2.gz DTPCLOOMIFRYEV-UHFFFAOYSA-N 1 0 260.366 2.407 10 0 CEAERO CN(C)C[C@@H]([NH3+])Cc1cc(F)cc(Br)c1 ZINC000086696406 179320522 /nfs/dbraw/zinc/32/05/22/179320522.db2.gz RCERJYPCVRQNEF-NSHDSACASA-N 1 0 275.165 2.020 10 0 CEAERO CN(CCC(N)=[NH2+])Cc1cc(F)cc(Br)c1 ZINC000086694780 179320555 /nfs/dbraw/zinc/32/05/55/179320555.db2.gz WQADQAFQOBRRPH-UHFFFAOYSA-N 1 0 288.164 2.346 10 0 CEAERO O[C@@H](c1ccc2c(c1)OCO2)[C@@H]1[NH2+]Cc2ccccc21 ZINC000086667411 179317065 /nfs/dbraw/zinc/31/70/65/179317065.db2.gz HBKGXYPTAYURDX-CVEARBPZSA-N 1 0 269.300 2.293 10 0 CEAERO O[C@H](c1ccc2c(c1)CCO2)[C@@H]1[NH2+]Cc2ccccc21 ZINC000086668061 179317367 /nfs/dbraw/zinc/31/73/67/179317367.db2.gz COVMEGVBTMJKHH-IAGOWNOFSA-N 1 0 267.328 2.499 10 0 CEAERO CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2S(C)(=O)=O)c1 ZINC000086674765 179318396 /nfs/dbraw/zinc/31/83/96/179318396.db2.gz SLAVSYXJIQPIRI-HUUCEWRRSA-N 1 0 297.420 2.141 10 0 CEAERO CS(=O)(=O)[C@@H]1CCC[C@H]1[NH2+]CCC1CCCC1 ZINC000086674785 179318834 /nfs/dbraw/zinc/31/88/34/179318834.db2.gz WCNLGHVGYYRSMP-CHWSQXEVSA-N 1 0 259.415 2.122 10 0 CEAERO CCN(C)C(=O)CC[N@@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000130269446 365938901 /nfs/dbraw/zinc/93/89/01/365938901.db2.gz SARAEPAMZNMBMW-CYBMUJFWSA-N 1 0 295.452 2.499 10 0 CEAERO COC[C@](C)([NH3+])Cc1cc(F)cc(Br)c1 ZINC000086695728 179320420 /nfs/dbraw/zinc/32/04/20/179320420.db2.gz HBVPFSZLGIVFBF-LLVKDONJSA-N 1 0 276.149 2.495 10 0 CEAERO CCC1CCC(C[NH3+])(OCC(=O)NC(C)(C)C)CC1 ZINC000086713265 179322592 /nfs/dbraw/zinc/32/25/92/179322592.db2.gz ZPZQSKOYOXGSOX-UHFFFAOYSA-N 1 0 270.417 2.215 10 0 CEAERO CCCC1CCC(C[NH3+])(OC[C@H](O)COCC)CC1 ZINC000086713370 179322740 /nfs/dbraw/zinc/32/27/40/179322740.db2.gz RCSBAZKIBIVBSJ-SHARSMKWSA-N 1 0 273.417 2.088 10 0 CEAERO CCn1cc(CO[C@@]2(C[NH3+])CCC[C@H](C)C2)cn1 ZINC000086712829 179322789 /nfs/dbraw/zinc/32/27/89/179322789.db2.gz ZHSSAHUZLXASRH-JSGCOSHPSA-N 1 0 251.374 2.327 10 0 CEAERO Cc1nccn1CCO[C@@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000086713102 179322986 /nfs/dbraw/zinc/32/29/86/179322986.db2.gz NROKQHFCSLZLRY-OCCSQVGLSA-N 1 0 251.374 2.116 10 0 CEAERO COC(=O)c1cccc(N[C@@H]2CCC[N@H+](C)CC2)c1 ZINC000086817482 179344468 /nfs/dbraw/zinc/34/44/68/179344468.db2.gz ITGLHJZZGQDWBK-CYBMUJFWSA-N 1 0 262.353 2.369 10 0 CEAERO CNC(=O)Nc1ccc(N[C@@H]2CCC[N@H+](C)CC2)cc1 ZINC000086818467 179346537 /nfs/dbraw/zinc/34/65/37/179346537.db2.gz DHNFKTBRMPHZCR-GFCCVEGCSA-N 1 0 276.384 2.334 10 0 CEAERO CN(C)C(=O)c1ccccc1N[C@H]1CCC[N@H+](C)CC1 ZINC000086818393 179346928 /nfs/dbraw/zinc/34/69/28/179346928.db2.gz YMSOKYDGPBJMNO-ZDUSSCGKSA-N 1 0 275.396 2.285 10 0 CEAERO CC(C)[N@@H+]1CCC[C@@H]([NH+](C)C(C)(C)C(=O)[O-])CC1 ZINC000086868961 179361240 /nfs/dbraw/zinc/36/12/40/179361240.db2.gz YNUSDEMNFGKTKJ-GFCCVEGCSA-N 1 0 256.390 2.044 10 0 CEAERO CC[N@@H+]1CCC[C@@H]([NH+](CC(=O)[O-])C2CCCC2)CC1 ZINC000086868786 179361319 /nfs/dbraw/zinc/36/13/19/179361319.db2.gz MYQOKFOCFUESIG-CQSZACIVSA-N 1 0 268.401 2.190 10 0 CEAERO C[NH2+][C@H]1CCCC[C@@H]1c1nc(C[C@@H]2CCCO2)no1 ZINC000104070160 185891930 /nfs/dbraw/zinc/89/19/30/185891930.db2.gz ZOPDLMYUDFPJFB-SRVKXCTJSA-N 1 0 265.357 2.037 10 0 CEAERO CC[C@]1(C(=O)[O-])CC[N@@H+]([C@@H]2CCC[NH+](C(C)C)CC2)C1 ZINC000086869114 179362927 /nfs/dbraw/zinc/36/29/27/179362927.db2.gz FROHWSHJGCUIFW-ZBFHGGJFSA-N 1 0 282.428 2.436 10 0 CEAERO COc1cccc(CN(C)[C@]2(C[NH3+])CCCOCC2)c1 ZINC000086875139 179364786 /nfs/dbraw/zinc/36/47/86/179364786.db2.gz WHRCRHZFANDRHP-MRXNPFEDSA-N 1 0 278.396 2.025 10 0 CEAERO CCOC(=O)[C@]1(N[C@H](C)CC)CCC[N@H+](CC)CC1 ZINC000086850536 179358066 /nfs/dbraw/zinc/35/80/66/179358066.db2.gz YSBOUCOXYFQKBL-HIFRSBDPSA-N 1 0 270.417 2.182 10 0 CEAERO CCC[N@@H+]1CCC[C@@](NCC(C)C)(C(=O)OCC)CC1 ZINC000086850293 179358202 /nfs/dbraw/zinc/35/82/02/179358202.db2.gz PVQBYIMDGJBGMX-INIZCTEOSA-N 1 0 284.444 2.430 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH2+]C)c1ccccc1C ZINC000086978888 179372600 /nfs/dbraw/zinc/37/26/00/179372600.db2.gz GKMSHOQVYYAKBE-CQSZACIVSA-N 1 0 269.410 2.470 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH2+]C)c1ccccc1F ZINC000086979551 179372961 /nfs/dbraw/zinc/37/29/61/179372961.db2.gz BCBQZEPKVLSQTF-CYBMUJFWSA-N 1 0 273.373 2.301 10 0 CEAERO CC[C@@H]1CCC[C@@](C(=O)[O-])([N@@H+]2CCC[NH2+]CC2)CC1 ZINC000086915551 179367051 /nfs/dbraw/zinc/36/70/51/179367051.db2.gz VLEFRJCPFNHKOX-UKRRQHHQSA-N 1 0 268.401 2.095 10 0 CEAERO CSCCC[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000086903005 179367273 /nfs/dbraw/zinc/36/72/73/179367273.db2.gz LHUJMFWQCCGHNA-VXGBXAGGSA-N 1 0 261.456 2.384 10 0 CEAERO CC[C@@H]1CCC[C@]([NH3+])(CCCS(C)(=O)=O)CC1 ZINC000086896325 179367296 /nfs/dbraw/zinc/36/72/96/179367296.db2.gz ADKURBFPUYOBJE-OLZOCXBDSA-N 1 0 261.431 2.499 10 0 CEAERO COc1ccc([C@H](C[NH3+])N2CC[C@@H](C)C2)cc1F ZINC000086983666 179373701 /nfs/dbraw/zinc/37/37/01/179373701.db2.gz LDZMWYQHHPQNTF-MFKMUULPSA-N 1 0 252.333 2.176 10 0 CEAERO CC(C)(C)[C@H]1CCC[C@H]([NH2+]CCNS(C)(=O)=O)CC1 ZINC000086955094 179368587 /nfs/dbraw/zinc/36/85/87/179368587.db2.gz CBEUIWVKDAPNKB-STQMWFEESA-N 1 0 290.473 2.120 10 0 CEAERO C[NH2+][C@@H]1CCCCC[C@H]1c1nc(CCCOC)no1 ZINC000086971963 179370515 /nfs/dbraw/zinc/37/05/15/179370515.db2.gz WUPZVXGSUBZONB-VXGBXAGGSA-N 1 0 267.373 2.284 10 0 CEAERO CCC[NH2+]Cc1c(C)nc(CCCOC)nc1C ZINC000086971584 179370519 /nfs/dbraw/zinc/37/05/19/179370519.db2.gz NFNRJJVRVJHUHP-UHFFFAOYSA-N 1 0 251.374 2.172 10 0 CEAERO CCS(=O)(=O)CCC[NH2+]Cc1cc2c(s1)CCC2 ZINC000086973944 179371521 /nfs/dbraw/zinc/37/15/21/179371521.db2.gz JTBQEUUPGKBXMF-UHFFFAOYSA-N 1 0 287.450 2.151 10 0 CEAERO CCCN(CCCS(=O)(=O)CC)C(CC)(CC)C[NH3+] ZINC000086973285 179371571 /nfs/dbraw/zinc/37/15/71/179371571.db2.gz YTENKPPWSBAWHS-UHFFFAOYSA-N 1 0 292.489 2.041 10 0 CEAERO CCS(=O)(=O)CCC[C@@](C)([NH3+])c1ccc(F)cc1 ZINC000086977335 179371958 /nfs/dbraw/zinc/37/19/58/179371958.db2.gz JYPLOLQHZLWZIB-CYBMUJFWSA-N 1 0 273.373 2.215 10 0 CEAERO CCS(=O)(=O)CCC[C@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000086976308 179372161 /nfs/dbraw/zinc/37/21/61/179372161.db2.gz FGRPPKYRWAXPLF-GXTWGEPZSA-N 1 0 267.394 2.074 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]CC2(O)CCCC2)c1C ZINC000087016914 179380579 /nfs/dbraw/zinc/38/05/79/179380579.db2.gz GGHYLXCINRQSHK-LLVKDONJSA-N 1 0 265.401 2.476 10 0 CEAERO CC(C)Cc1ccc([C@H](O)C[NH2+]CC(C)(C)O)cc1 ZINC000087018361 179381414 /nfs/dbraw/zinc/38/14/14/179381414.db2.gz BWKUXGVGAIQBRS-OAHLLOKOSA-N 1 0 265.397 2.279 10 0 CEAERO CC(C)(O)C[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000087027250 179381703 /nfs/dbraw/zinc/38/17/03/179381703.db2.gz ZTLKRSSKZGDFBZ-HNNXBMFYSA-N 1 0 259.349 2.234 10 0 CEAERO CCC(O)(CC)C[NH2+]C[C@H](O)c1c(F)cccc1F ZINC000087028489 179381782 /nfs/dbraw/zinc/38/17/82/179381782.db2.gz QZPCCUDXSLSDPL-LBPRGKRZSA-N 1 0 273.323 2.139 10 0 CEAERO C[NH2+]Cc1cc(O[C@H]2CCOC2)c2ccccc2n1 ZINC000104104094 185894998 /nfs/dbraw/zinc/89/49/98/185894998.db2.gz PIBFUKLYDCTLEX-LBPRGKRZSA-N 1 0 258.321 2.122 10 0 CEAERO COc1ccc([C@@H]2[C@H]([NH3+])CCC(=O)N2CC(C)C)cc1F ZINC000086995201 179375862 /nfs/dbraw/zinc/37/58/62/179375862.db2.gz LKDZZIIELZSZJO-CZUORRHYSA-N 1 0 294.370 2.481 10 0 CEAERO COc1ccc([C@H](O)Cc2c[nH+]ccc2N)cc1F ZINC000086994317 179375908 /nfs/dbraw/zinc/37/59/08/179375908.db2.gz OKLBGEFRCSZRMA-CYBMUJFWSA-N 1 0 262.284 2.088 10 0 CEAERO COc1ccc([C@@H]2[C@H]([NH3+])CCCC(=O)N2C2CC2)cc1F ZINC000086995328 179376384 /nfs/dbraw/zinc/37/63/84/179376384.db2.gz CSGKMUWLCQFFOW-CZUORRHYSA-N 1 0 292.354 2.378 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3c(F)cc(F)cc3F)C[C@@H]2C1 ZINC000086997864 179377456 /nfs/dbraw/zinc/37/74/56/179377456.db2.gz VJRFSDBUVQFPIU-WCABBAIRSA-N 1 0 298.308 2.303 10 0 CEAERO CC1CCC(O)(C[NH2+]C[C@@H](O)c2cccc(F)c2)CC1 ZINC000087061851 179389459 /nfs/dbraw/zinc/38/94/59/179389459.db2.gz FWQYFASOUVPIRG-DSSZZKGTSA-N 1 0 281.371 2.390 10 0 CEAERO C[C@@H]1CCC[C@](O)(C[NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000087050704 179388919 /nfs/dbraw/zinc/38/89/19/179388919.db2.gz QVYSZKWFCNSTBY-UKRRQHHQSA-N 1 0 283.412 2.203 10 0 CEAERO CC[C@@H]1C[NH2+]C[C@@H](c2cc(OC)cc(OC)c2)O1 ZINC000087090354 179394284 /nfs/dbraw/zinc/39/42/84/179394284.db2.gz WCDKJMJHDYUXNH-RISCZKNCSA-N 1 0 251.326 2.143 10 0 CEAERO COCC[NH2+]Cc1cnc(CSC(C)(C)C)[nH]1 ZINC000087120077 179395262 /nfs/dbraw/zinc/39/52/62/179395262.db2.gz UHHYYJKJHFFOFK-UHFFFAOYSA-N 1 0 257.403 2.177 10 0 CEAERO CCC1CCC(O)(C[NH2+]C[C@@H](O)c2ccco2)CC1 ZINC000087065958 179389941 /nfs/dbraw/zinc/38/99/41/179389941.db2.gz ORIJZDSKOWGBDW-JVWICGRDSA-N 1 0 267.369 2.234 10 0 CEAERO CCC[NH2+][C@H]1CCCN(CC2(O)CCC(C)(C)CC2)C1=O ZINC000087071277 179391531 /nfs/dbraw/zinc/39/15/31/179391531.db2.gz FLFKLETUXFVCKG-AWEZNQCLSA-N 1 0 296.455 2.308 10 0 CEAERO O[C@@H]1CCCCC[C@H]1[NH2+]CC1(O)CCCCCC1 ZINC000087089221 179393412 /nfs/dbraw/zinc/39/34/12/179393412.db2.gz NGOUFDALDGREGE-ZIAGYGMSSA-N 1 0 255.402 2.355 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCC2(C)CCCC2)C1 ZINC000066701090 362880897 /nfs/dbraw/zinc/88/08/97/362880897.db2.gz CIWYXULEAXFEDL-CYBMUJFWSA-N 1 0 267.417 2.350 10 0 CEAERO C[NH2+][C@@H](CSC1CCCC1)Cc1ccnc(N)c1 ZINC000087144705 179397128 /nfs/dbraw/zinc/39/71/28/179397128.db2.gz DUIABBMNPNDKOH-GFCCVEGCSA-N 1 0 265.426 2.470 10 0 CEAERO CC[C@](O)(COC)Cc1[nH+]cc(C)c(OC)c1C ZINC000087183855 179399027 /nfs/dbraw/zinc/39/90/27/179399027.db2.gz RJLWPJOTTQQUFO-CQSZACIVSA-N 1 0 253.342 2.037 10 0 CEAERO CCc1ccc(CC2(O)C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000087172633 179399083 /nfs/dbraw/zinc/39/90/83/179399083.db2.gz KQSLTASADLEVEZ-BVUQATHDSA-N 1 0 251.395 2.499 10 0 CEAERO O[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCC[NH2+]C1 ZINC000087172525 179399379 /nfs/dbraw/zinc/39/93/79/179399379.db2.gz RSHRROYEPCKWOB-GFCCVEGCSA-N 1 0 275.270 2.242 10 0 CEAERO C[NH2+][C@@H](CC[C@@H]1CCCO1)c1ccc2c(c1)NC(=O)CO2 ZINC000087213460 179402604 /nfs/dbraw/zinc/40/26/04/179402604.db2.gz KIIAWYOVDVDUFD-STQMWFEESA-N 1 0 290.363 2.237 10 0 CEAERO Cc1nn(C)cc1-c1c[nH]c([C@H]([NH3+])c2ccccc2)n1 ZINC000087410758 179422338 /nfs/dbraw/zinc/42/23/38/179422338.db2.gz ZDAKTRGUPIBTKE-CQSZACIVSA-N 1 0 267.336 2.167 10 0 CEAERO COCCn1c2ccccc2nc1[C@H](C[NH3+])C(C)C ZINC000087495818 179435466 /nfs/dbraw/zinc/43/54/66/179435466.db2.gz CZZISQVKZYTCEI-GFCCVEGCSA-N 1 0 261.369 2.381 10 0 CEAERO CN(C)c1ccccc1NC(=O)C(C)(C)C(C)(C)[NH3+] ZINC000087627658 179458434 /nfs/dbraw/zinc/45/84/34/179458434.db2.gz OWYPKXBYLADJEN-UHFFFAOYSA-N 1 0 263.385 2.455 10 0 CEAERO COC(=O)c1ccc(F)cc1NC(=O)C(C)(C)C(C)(C)[NH3+] ZINC000087627755 179459097 /nfs/dbraw/zinc/45/90/97/179459097.db2.gz HLYGMFNFBNDWHW-UHFFFAOYSA-N 1 0 296.342 2.314 10 0 CEAERO CCc1nsc(N2CCC[C@@H](C[NH2+]C(C)C)C2)n1 ZINC000087642565 179462578 /nfs/dbraw/zinc/46/25/78/179462578.db2.gz RLRNYAVUZRAKGX-NSHDSACASA-N 1 0 268.430 2.315 10 0 CEAERO [NH3+][C@@H]1Cc2ccccc2[C@@H]1Nc1nc(C2CC2)ns1 ZINC000087644427 179463681 /nfs/dbraw/zinc/46/36/81/179463681.db2.gz RGXKZUPNSVMYCY-NEPJUHHUSA-N 1 0 272.377 2.452 10 0 CEAERO C[C@@H]([NH3+])CCC[C@@H](C)c1nc(-c2cnn(C)c2)no1 ZINC000087672479 179467474 /nfs/dbraw/zinc/46/74/74/179467474.db2.gz XSMSFRNGMWBKCT-NXEZZACHSA-N 1 0 263.345 2.091 10 0 CEAERO Cc1cccc(CNC(=O)[C@H](C)CCC[C@H](C)[NH3+])n1 ZINC000087701315 179472811 /nfs/dbraw/zinc/47/28/11/179472811.db2.gz HMWYMXAEKHGYJI-NEPJUHHUSA-N 1 0 263.385 2.160 10 0 CEAERO CC[C@H](C)n1ccc(CSc2nnc(C)n2CC[NH3+])n1 ZINC000087714711 179476257 /nfs/dbraw/zinc/47/62/57/179476257.db2.gz SUVGPCGHFOOWIK-JTQLQIEISA-N 1 0 294.428 2.005 10 0 CEAERO C[C@@H]([NH2+]C(CO)CO)C(c1ccccc1)c1ccccc1 ZINC000087750376 179481285 /nfs/dbraw/zinc/48/12/85/179481285.db2.gz XMKYFWLTGRANSL-CQSZACIVSA-N 1 0 285.387 2.150 10 0 CEAERO CC(C)Oc1cc(N2C[C@@H](C)[NH2+][C@@H](C)C2)ccc1NC=O ZINC000616220727 348462306 /nfs/dbraw/zinc/46/23/06/348462306.db2.gz TUTBSCUDRZOOAH-BETUJISGSA-N 1 0 291.395 2.229 10 0 CEAERO CN(C(=O)c1cc2sccc2s1)C1C[NH2+]C1 ZINC000087795069 179487437 /nfs/dbraw/zinc/48/74/37/179487437.db2.gz WGGKPZZMKFEKLB-UHFFFAOYSA-N 1 0 252.364 2.007 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)Nc1ccc(NC(C)=O)c(C)c1 ZINC000087516900 179438619 /nfs/dbraw/zinc/43/86/19/179438619.db2.gz NHOOIMALIPKIRL-GFCCVEGCSA-N 1 0 277.368 2.267 10 0 CEAERO [NH3+][C@@H](CCc1nc([C@@H]2CCOC2)no1)c1ccccc1 ZINC000087804097 179488847 /nfs/dbraw/zinc/48/88/47/179488847.db2.gz SODBPKGNSLBSFU-OLZOCXBDSA-N 1 0 273.336 2.206 10 0 CEAERO CC[C@H](C[NH3+])C(=O)Nc1cc(Cl)ccc1-n1cccn1 ZINC000087523288 179440129 /nfs/dbraw/zinc/44/01/29/179440129.db2.gz KAIOYIDGGSCASC-SNVBAGLBSA-N 1 0 292.770 2.449 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)N1CCC(c2ccccc2)CC1 ZINC000087525221 179440687 /nfs/dbraw/zinc/44/06/87/179440687.db2.gz IRUNPZUREMNNEL-ZDUSSCGKSA-N 1 0 260.381 2.378 10 0 CEAERO COc1ccc(C)cc1CN(C)C(=O)[C@H](C[NH3+])C(C)C ZINC000087532637 179442013 /nfs/dbraw/zinc/44/20/13/179442013.db2.gz ZXKJTPOIPHIJLY-CQSZACIVSA-N 1 0 278.396 2.193 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)N[C@H](C)Cc1ccc(C)s1 ZINC000087534742 179442718 /nfs/dbraw/zinc/44/27/18/179442718.db2.gz BHCKGUQLEACRFN-KOLCDFICSA-N 1 0 254.399 2.089 10 0 CEAERO CCOC(=O)C[C@@](C)(Cc1ccc(OC)cc1)[NH2+]C ZINC000087547316 179443193 /nfs/dbraw/zinc/44/31/93/179443193.db2.gz PWPZDZGPHLNSBC-OAHLLOKOSA-N 1 0 265.353 2.169 10 0 CEAERO CC[NH2+][C@@]1(CC(=O)OCC)CCO[C@](C)(CC)C1 ZINC000087548706 179444373 /nfs/dbraw/zinc/44/43/73/179444373.db2.gz HWYZTHPVSSCKFF-ZIAGYGMSSA-N 1 0 257.374 2.267 10 0 CEAERO CC[NH2+][C@](C)(CC(=O)OC)Cc1ccc(OC)c(OC)c1 ZINC000087553726 179446272 /nfs/dbraw/zinc/44/62/72/179446272.db2.gz ITDMUHKHZFSFIH-INIZCTEOSA-N 1 0 295.379 2.178 10 0 CEAERO COc1cccc(S(=O)(=O)CCCC(C)(C)C[NH3+])c1 ZINC000087611295 179454454 /nfs/dbraw/zinc/45/44/54/179454454.db2.gz OVIMUSGCIQZMOH-UHFFFAOYSA-N 1 0 285.409 2.234 10 0 CEAERO CCCc1nc(OC2CCCCC2)cc(NN)[nH+]1 ZINC000087908234 179517678 /nfs/dbraw/zinc/51/76/78/179517678.db2.gz PVKPPOPAVZAIES-UHFFFAOYSA-N 1 0 250.346 2.426 10 0 CEAERO OCC[N@@H+]1CCCC[C@H](c2cc3ccccc3nn2)C1 ZINC000616630041 348540307 /nfs/dbraw/zinc/54/03/07/348540307.db2.gz XZRWAONMZBTTSI-AWEZNQCLSA-N 1 0 271.364 2.192 10 0 CEAERO Nc1ccc([C@@H]2C[N@H+](Cc3ccccc3)CCN2)cc1 ZINC000616631563 348540864 /nfs/dbraw/zinc/54/08/64/348540864.db2.gz BWQCYAQVWHKIOP-KRWDZBQOSA-N 1 0 267.376 2.415 10 0 CEAERO CCc1nn(C)c(C[C@@H]2CC[C@@H]2C[NH3+])c1Br ZINC000087942857 179528262 /nfs/dbraw/zinc/52/82/62/179528262.db2.gz LKMUAGWWYNUKBF-DTWKUNHWSA-N 1 0 286.217 2.272 10 0 CEAERO CC[C@@H]1CCN(C(=O)/C=C\c2ccccc2)C[C@@H]1[NH3+] ZINC000616570042 348523427 /nfs/dbraw/zinc/52/34/27/348523427.db2.gz LNTRKMZPXHDNDI-AYPKIECRSA-N 1 0 258.365 2.286 10 0 CEAERO CCC[NH2+][C@H](Cc1cc(F)ccc1F)[C@H]1COCCO1 ZINC000087858593 179502920 /nfs/dbraw/zinc/50/29/20/179502920.db2.gz TVOYOQJQGYUTIH-HUUCEWRRSA-N 1 0 285.334 2.291 10 0 CEAERO CC[NH2+][C@H](Cc1ccn(C(CC)CC)n1)[C@@H]1COCCO1 ZINC000087858055 179502968 /nfs/dbraw/zinc/50/29/68/179502968.db2.gz LSQRFMSXSWTHMK-CVEARBPZSA-N 1 0 295.427 2.180 10 0 CEAERO CC(C)C[C@@H]1CCN(C(=O)C2CCCC2)C[C@H]1[NH3+] ZINC000616571822 348524211 /nfs/dbraw/zinc/52/42/11/348524211.db2.gz SFTPVVLYZQBAMH-UONOGXRCSA-N 1 0 252.402 2.399 10 0 CEAERO CC[NH2+][C@H](c1nccn1CC)[C@@H]1COc2ccccc2O1 ZINC000087859893 179503979 /nfs/dbraw/zinc/50/39/79/179503979.db2.gz UXPXLWAFDHCXGO-GJZGRUSLSA-N 1 0 287.363 2.394 10 0 CEAERO C[NH2+]Cc1c(C)nc([C@@H]2COc3ccccc3O2)nc1C ZINC000087860952 179504270 /nfs/dbraw/zinc/50/42/70/179504270.db2.gz PEAQSWGCJYSYKR-HNNXBMFYSA-N 1 0 285.347 2.325 10 0 CEAERO Cc1cc(N[C@@H](C)Cc2ccsc2)nc(NN)[nH+]1 ZINC000087865444 179505121 /nfs/dbraw/zinc/50/51/21/179505121.db2.gz FVHUTDVNCYYLGC-QMMMGPOBSA-N 1 0 263.370 2.175 10 0 CEAERO CC(C)[N@@H+]1CCc2ccccc2[C@H]1c1cc(N)n[nH]1 ZINC000616585877 348526867 /nfs/dbraw/zinc/52/68/67/348526867.db2.gz RZVCRPLFBDFALR-HNNXBMFYSA-N 1 0 256.353 2.178 10 0 CEAERO CC[N@@H+]1CCO[C@@H](c2cnnc3ccccc32)CC1 ZINC000616594222 348528142 /nfs/dbraw/zinc/52/81/42/348528142.db2.gz OZEDNLDKFKIWGO-OAHLLOKOSA-N 1 0 257.337 2.413 10 0 CEAERO OCC[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)CC1 ZINC000616595092 348528201 /nfs/dbraw/zinc/52/82/01/348528201.db2.gz JTUGESRWORUOLS-CYBMUJFWSA-N 1 0 255.745 2.096 10 0 CEAERO CC[N@@H+]1CCO[C@H](c2cccc3nnccc32)CC1 ZINC000616593792 348528490 /nfs/dbraw/zinc/52/84/90/348528490.db2.gz LJDKNFHNBZKMNS-HNNXBMFYSA-N 1 0 257.337 2.413 10 0 CEAERO C[C@@H]1CC[C@H](Nc2nc(NN)[nH+]cc2Cl)[C@@H]1C ZINC000087882974 179510029 /nfs/dbraw/zinc/51/00/29/179510029.db2.gz VMTCRMBBQOTHHL-BHNWBGBOSA-N 1 0 255.753 2.262 10 0 CEAERO OCC[N@@H+]1CCC[C@@H](c2cccc3nnccc32)CC1 ZINC000616602115 348531404 /nfs/dbraw/zinc/53/14/04/348531404.db2.gz SJXNSZWNYRDLHB-CYBMUJFWSA-N 1 0 271.364 2.192 10 0 CEAERO NNc1cc(Nc2ccc(F)c(Cl)c2)nc[nH+]1 ZINC000087884769 179510473 /nfs/dbraw/zinc/51/04/73/179510473.db2.gz FOLHMBAJDABNTN-UHFFFAOYSA-N 1 0 253.668 2.298 10 0 CEAERO [NH3+]CCN1CCC(c2cncc3ccccc32)CC1 ZINC000616608720 348533743 /nfs/dbraw/zinc/53/37/43/348533743.db2.gz BQGQHDKOTYNLIB-UHFFFAOYSA-N 1 0 255.365 2.373 10 0 CEAERO CCOCOc1c(C[C@H]([NH3+])CC)cccc1OC ZINC000087888910 179512979 /nfs/dbraw/zinc/51/29/79/179512979.db2.gz LJYGLSFZUAWZQY-GFCCVEGCSA-N 1 0 253.342 2.348 10 0 CEAERO CCOCOc1ccc(Cl)cc1C[NH2+]CCOC ZINC000087888667 179513198 /nfs/dbraw/zinc/51/31/98/179513198.db2.gz WLOPSXOLMPLTHT-UHFFFAOYSA-N 1 0 273.760 2.449 10 0 CEAERO CSc1nc(N[C@H]2CCCC[C@@H]2C)cc(NN)[nH+]1 ZINC000087905019 179516607 /nfs/dbraw/zinc/51/66/07/179516607.db2.gz ZNXAHWUSCDKHFR-IUCAKERBSA-N 1 0 267.402 2.475 10 0 CEAERO C[C@@H]1CN([C@@H]2CCC[C@H](C(F)(F)F)C2)CC[NH2+]1 ZINC000088058784 179541550 /nfs/dbraw/zinc/54/15/50/179541550.db2.gz CZUCQUVCIVCCHN-OUAUKWLOSA-N 1 0 250.308 2.401 10 0 CEAERO COc1ccc(OC)c([C@H](C)N2CC[NH2+][C@@H](C)C2)c1 ZINC000088058847 179541643 /nfs/dbraw/zinc/54/16/43/179541643.db2.gz KORHFNIXWFOJCV-RYUDHWBXSA-N 1 0 264.369 2.059 10 0 CEAERO COc1cccc(F)c1C(=O)N[C@]1(C[NH3+])CCC[C@H](C)C1 ZINC000088081997 179546015 /nfs/dbraw/zinc/54/60/15/179546015.db2.gz FSIHUZNBFKLIJV-MEDUHNTESA-N 1 0 294.370 2.472 10 0 CEAERO COc1ccc(CCn2nc(C)c(C[NH3+])c2C)cc1 ZINC000088103116 179548754 /nfs/dbraw/zinc/54/87/54/179548754.db2.gz QKADEIMLEYUTOU-UHFFFAOYSA-N 1 0 259.353 2.210 10 0 CEAERO CC[NH+]1CCC(O)(CCc2ccc3c(c2)CCO3)CC1 ZINC000088103260 179548910 /nfs/dbraw/zinc/54/89/10/179548910.db2.gz QASIHIROURAJCQ-UHFFFAOYSA-N 1 0 275.392 2.401 10 0 CEAERO COC(=O)c1sc2ccccc2c1NC(=O)C1([NH3+])CC1 ZINC000088130820 179553778 /nfs/dbraw/zinc/55/37/78/179553778.db2.gz GJMGIZYCCKQJIL-UHFFFAOYSA-N 1 0 290.344 2.118 10 0 CEAERO CCC[NH2+][C@H]1CCCc2c(OC[C@H](O)COC)cccc21 ZINC000088152405 179557739 /nfs/dbraw/zinc/55/77/39/179557739.db2.gz VZGPZLMQWFYYQT-CJNGLKHVSA-N 1 0 293.407 2.450 10 0 CEAERO c1cnn([C@@H]2CC[N@H+](Cc3ccccc3)CCO2)c1 ZINC000616664085 348554583 /nfs/dbraw/zinc/55/45/83/348554583.db2.gz NPUJBCKLENEBNH-HNNXBMFYSA-N 1 0 257.337 2.304 10 0 CEAERO [NH3+]CCN1CC[C@@H](c2ccccc2CO)c2ccccc21 ZINC000616673379 348556895 /nfs/dbraw/zinc/55/68/95/348556895.db2.gz AVTXJUIIIMKNMP-INIZCTEOSA-N 1 0 282.387 2.480 10 0 CEAERO Nc1ccc([C@H]2c3ccccc3CC[N@H+]2CCO)cc1 ZINC000616679662 348557970 /nfs/dbraw/zinc/55/79/70/348557970.db2.gz WWSCOQSSSOYCGP-KRWDZBQOSA-N 1 0 268.360 2.209 10 0 CEAERO CC(C)(C)OC(=O)N1c2ccccc2NC[C@H]1C[NH3+] ZINC000616683534 348559458 /nfs/dbraw/zinc/55/94/58/348559458.db2.gz HMUHWBJOVASOJA-SNVBAGLBSA-N 1 0 263.341 2.181 10 0 CEAERO c1ccc2c(c1)OCC[C@H]2c1noc([C@H]2CC[NH2+]C2)n1 ZINC000087996310 179532470 /nfs/dbraw/zinc/53/24/70/179532470.db2.gz WBYKTPYQOPWAMN-CMPLNLGQSA-N 1 0 271.320 2.061 10 0 CEAERO COc1ccc(OCCO[C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000088402723 179594254 /nfs/dbraw/zinc/59/42/54/179594254.db2.gz PHGGUYDINRBLLH-WFASDCNBSA-N 1 0 265.353 2.231 10 0 CEAERO C[C@H]([NH2+]CCN(C)CCC(F)(F)F)[C@@H]1CCCO1 ZINC000088438250 179601787 /nfs/dbraw/zinc/60/17/87/179601787.db2.gz GEGHFPMVLIWGNV-QWRGUYRKSA-N 1 0 268.323 2.028 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H](C(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000088449362 179605429 /nfs/dbraw/zinc/60/54/29/179605429.db2.gz PCWIWAUPOIZXRY-NWDGAFQWSA-N 1 0 290.363 2.032 10 0 CEAERO COCc1ccccc1NC(=O)[C@H]1C[NH2+]C[C@H](C)C1 ZINC000088450332 179606096 /nfs/dbraw/zinc/60/60/96/179606096.db2.gz JHPXFBGUYDSGPS-DGCLKSJQSA-N 1 0 262.353 2.017 10 0 CEAERO Cc1cncc(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000088451650 179606615 /nfs/dbraw/zinc/60/66/15/179606615.db2.gz OMYJBOJPEJXHEN-LSDHHAIUSA-N 1 0 273.380 2.137 10 0 CEAERO CC[C@@H](C)C[C@@H](C)NS(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000088299316 179576449 /nfs/dbraw/zinc/57/64/49/179576449.db2.gz ZXZJUCKBARHACM-VXGBXAGGSA-N 1 0 284.425 2.248 10 0 CEAERO CC(C)CSC[C@H](O)[C@H]([NH3+])Cc1ccccc1 ZINC000088398350 179592291 /nfs/dbraw/zinc/59/22/91/179592291.db2.gz RRMYXDCNXBPBAY-KGLIPLIRSA-N 1 0 253.411 2.307 10 0 CEAERO [NH3+]CC1(N2C(=O)c3cc(F)c(F)cc3C2=O)CCCCC1 ZINC000088570729 179628307 /nfs/dbraw/zinc/62/83/07/179628307.db2.gz JKJRYPBNICVDSI-UHFFFAOYSA-N 1 0 294.301 2.222 10 0 CEAERO CCC[NH2+][C@@H](CSCC(C)C)Cc1ncnn1C ZINC000088582332 179630105 /nfs/dbraw/zinc/63/01/05/179630105.db2.gz MSANATTWEWRYMW-GFCCVEGCSA-N 1 0 270.446 2.115 10 0 CEAERO COc1ccc(-c2noc([C@H]3C[NH2+]C[C@@H]3C)n2)cc1 ZINC000104206154 185930982 /nfs/dbraw/zinc/93/09/82/185930982.db2.gz JBOWJSSBNAMVNG-CABZTGNLSA-N 1 0 259.309 2.068 10 0 CEAERO CCC[NH2+][C@H](Cc1ncnn1CCC)C[C@H]1CCCO1 ZINC000088610610 179638059 /nfs/dbraw/zinc/63/80/59/179638059.db2.gz BGVGFQCGRJKDCV-UONOGXRCSA-N 1 0 280.416 2.168 10 0 CEAERO CC[NH2+][C@H](CC)c1cnn(Cc2ncnn2C(C)C)c1 ZINC000088622198 179641133 /nfs/dbraw/zinc/64/11/33/179641133.db2.gz PTBGVRSVVFDFMA-CYBMUJFWSA-N 1 0 276.388 2.164 10 0 CEAERO CCC1(CC)C[NH2+][C@H](C)CN1Cc1ncnn1CC(C)C ZINC000088625067 179641785 /nfs/dbraw/zinc/64/17/85/179641785.db2.gz MRULBEZPYBKIAL-CQSZACIVSA-N 1 0 293.459 2.287 10 0 CEAERO CC[C@@]1(C)CN(Cc2ncnn2C(C)C)C(C)(C)C[NH2+]1 ZINC000088625591 179642252 /nfs/dbraw/zinc/64/22/52/179642252.db2.gz WHOXAUUIOASXKO-HNNXBMFYSA-N 1 0 279.432 2.212 10 0 CEAERO Cc1nc(Cl)c(N(C)[C@@H]2CCC[N@H+](C)C2)nc1C ZINC000088497540 179614233 /nfs/dbraw/zinc/61/42/33/179614233.db2.gz DWYPCDNICFJWDY-LLVKDONJSA-N 1 0 268.792 2.277 10 0 CEAERO CC[C@@H]([NH2+][C@H]1CC(=O)N(C)C1=O)c1ccc(Cl)cc1 ZINC000088775604 179671091 /nfs/dbraw/zinc/67/10/91/179671091.db2.gz KDUKBFCQFDGAPQ-NEPJUHHUSA-N 1 0 280.755 2.138 10 0 CEAERO CCN(C(=O)[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1F ZINC000104220755 185935080 /nfs/dbraw/zinc/93/50/80/185935080.db2.gz QRGQLSDFJWFEMU-GHMZBOCLSA-N 1 0 250.317 2.034 10 0 CEAERO C[C@@H](c1ccc(F)cc1)N(C)C(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000104219144 185934910 /nfs/dbraw/zinc/93/49/10/185934910.db2.gz NJJARQQIHBIRJU-MJVIPROJSA-N 1 0 264.344 2.201 10 0 CEAERO CC[NH2+]CCCCS(=O)(=O)NC1CCCCCC1 ZINC000088974290 179688712 /nfs/dbraw/zinc/68/87/12/179688712.db2.gz OZOKZFOQPILLMJ-UHFFFAOYSA-N 1 0 276.446 2.018 10 0 CEAERO CC[NH+](CC)[C@H]1CCN(c2ccc(N)c(OC)c2)C1 ZINC000104230893 185937851 /nfs/dbraw/zinc/93/78/51/185937851.db2.gz YWADTPNZZAGJRQ-ZDUSSCGKSA-N 1 0 263.385 2.198 10 0 CEAERO CCN(c1ccc(C)cc1)S(=O)(=O)CCCC[NH2+]C ZINC000089015143 179691969 /nfs/dbraw/zinc/69/19/69/179691969.db2.gz KRTZXHFERTZJOY-UHFFFAOYSA-N 1 0 284.425 2.151 10 0 CEAERO O=C(CCC(F)(F)F)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000088834075 179680130 /nfs/dbraw/zinc/68/01/30/179680130.db2.gz HULRWTHDLPXEDC-MNOVXSKESA-N 1 0 278.318 2.462 10 0 CEAERO C[C@H]1CCC[C@H](C[NH3+])N1C(=O)CCC(F)(F)F ZINC000088834101 179680147 /nfs/dbraw/zinc/68/01/47/179680147.db2.gz GXXJGSVNXYAILS-DTWKUNHWSA-N 1 0 252.280 2.057 10 0 CEAERO CCC[NH2+]CCCc1nnc(CCC(F)(F)F)o1 ZINC000088834914 179680910 /nfs/dbraw/zinc/68/09/10/179680910.db2.gz LEGNUYXQKFVGPX-UHFFFAOYSA-N 1 0 265.279 2.497 10 0 CEAERO CCOC(=O)[C@@](C)(CC[N@@H+]1CCC[C@@H]1C(C)C)NC ZINC000088846926 179681712 /nfs/dbraw/zinc/68/17/12/179681712.db2.gz IMZQWHLIMZCTMY-UKRRQHHQSA-N 1 0 270.417 2.038 10 0 CEAERO CCOc1cc(N[C@@H](C[NH3+])C2CCCC2)nc(C)n1 ZINC000233801918 539681565 /nfs/dbraw/zinc/68/15/65/539681565.db2.gz KXCXWKCAYOXUGT-LBPRGKRZSA-N 1 0 264.373 2.113 10 0 CEAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccncc1Cl ZINC000088781490 539685076 /nfs/dbraw/zinc/68/50/76/539685076.db2.gz FJGLREWWCBBSAO-DGCLKSJQSA-N 1 0 254.761 2.376 10 0 CEAERO CCN(C(=O)COc1ccccc1)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089134555 179714428 /nfs/dbraw/zinc/71/44/28/179714428.db2.gz GRBMLCTTZOMOIF-GOEBONIOSA-N 1 0 290.407 2.431 10 0 CEAERO COC[C@H](C)N(C)c1ccc(C[C@@H](C)[NH3+])cc1C ZINC000104269170 185949726 /nfs/dbraw/zinc/94/97/26/185949726.db2.gz WRCSRYHLGKJGPL-OLZOCXBDSA-N 1 0 250.386 2.356 10 0 CEAERO CCN(C(=O)Cc1cccc(OC)c1)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089114846 179708792 /nfs/dbraw/zinc/70/87/92/179708792.db2.gz SXECRJKKGQZNBH-GOEBONIOSA-N 1 0 290.407 2.214 10 0 CEAERO CCN(c1cncc(OC(C)C)n1)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089116373 179710306 /nfs/dbraw/zinc/71/03/06/179710306.db2.gz IROLUEHMHGIANA-OLZOCXBDSA-N 1 0 278.400 2.218 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1Nc1cccc(-n2cccn2)c1 ZINC000089149530 179725050 /nfs/dbraw/zinc/72/50/50/179725050.db2.gz JBFUKIFAKKOBEY-SWLSCSKDSA-N 1 0 256.353 2.412 10 0 CEAERO Cn1cnnc1-c1cccc(N[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000089149499 179725555 /nfs/dbraw/zinc/72/55/55/179725555.db2.gz FKUFUPLXTQMRJK-JSGCOSHPSA-N 1 0 271.368 2.021 10 0 CEAERO Cc1nn(C)c(Oc2cccc(F)c2F)c1CC[NH3+] ZINC000104300102 185959180 /nfs/dbraw/zinc/95/91/80/185959180.db2.gz KUMRBUVHLBLDHY-UHFFFAOYSA-N 1 0 267.279 2.300 10 0 CEAERO Cn1nc(C[C@@H]([NH3+])C[C@H]2CCCO2)c2ccccc21 ZINC000089177367 179742858 /nfs/dbraw/zinc/74/28/58/179742858.db2.gz KDPBNWCFAMIZTG-NWDGAFQWSA-N 1 0 259.353 2.012 10 0 CEAERO Cc1nn(C)c(CO[C@@H]2CCCC[C@@H]2C[NH3+])c1Cl ZINC000089234935 179759681 /nfs/dbraw/zinc/75/96/81/179759681.db2.gz MJVOTZUYRIYCIM-ZYHUDNBSSA-N 1 0 271.792 2.416 10 0 CEAERO CCc1cc(C[C@@]2([NH3+])CCc3ccccc32)n(C)n1 ZINC000089190607 179749263 /nfs/dbraw/zinc/74/92/63/179749263.db2.gz BBCXXGVIAYFSQK-INIZCTEOSA-N 1 0 255.365 2.325 10 0 CEAERO C[NH2+][C@H](CCc1ccccc1)Cc1cc(C)nn1C ZINC000089193595 179749810 /nfs/dbraw/zinc/74/98/10/179749810.db2.gz KDXUPVCUSMPNOO-OAHLLOKOSA-N 1 0 257.381 2.492 10 0 CEAERO CC[NH2+][C@@H](Cc1cc(C)nn1CC)Cc1ccncc1 ZINC000089194198 179750061 /nfs/dbraw/zinc/75/00/61/179750061.db2.gz QJCAAALNDNVAIW-OAHLLOKOSA-N 1 0 272.396 2.370 10 0 CEAERO Cc1cc(C[C@H]([NH3+])c2ccc(F)cc2F)n(C)n1 ZINC000089194479 179750233 /nfs/dbraw/zinc/75/02/33/179750233.db2.gz BJDXINCKPJZDKU-ZDUSSCGKSA-N 1 0 251.280 2.249 10 0 CEAERO C[NH2+][C@@H](Cc1cc(C)nn1C)[C@H]1Cc2ccccc21 ZINC000089198544 179751485 /nfs/dbraw/zinc/75/14/85/179751485.db2.gz HOPKBLJYQMYNIB-HOTGVXAUSA-N 1 0 255.365 2.199 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCc1ccc(Cl)cc1 ZINC000089450103 539715785 /nfs/dbraw/zinc/71/57/85/539715785.db2.gz AFGZDKAWFLPXAE-WCQYABFASA-N 1 0 266.772 2.331 10 0 CEAERO CCC[NH2+][C@@H](Cc1cc(C)nn1CC)[C@@H]1CCOC1 ZINC000089199422 179752354 /nfs/dbraw/zinc/75/23/54/179752354.db2.gz IDCIECLZICCFGO-HIFRSBDPSA-N 1 0 265.401 2.159 10 0 CEAERO Cc1nc2cc(NC(=O)[C@@H]3CCC[C@H]3C[NH3+])ccc2[nH]1 ZINC000089453833 539716730 /nfs/dbraw/zinc/71/67/30/539716730.db2.gz HBSCYGNIFKCGPP-CMPLNLGQSA-N 1 0 272.352 2.185 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000089451773 539717287 /nfs/dbraw/zinc/71/72/87/539717287.db2.gz MQCRNMOCXQJLCA-SWLSCSKDSA-N 1 0 284.363 2.186 10 0 CEAERO CCc1cc(CN2C[C@H](C)[NH2+]C[C@@]2(C)C2CC2)n(CC)n1 ZINC000089208907 179754562 /nfs/dbraw/zinc/75/45/62/179754562.db2.gz KDRVLECIBSQDGO-GUYCJALGSA-N 1 0 290.455 2.428 10 0 CEAERO CCc1cc(CN2C[C@H](C3CC3)[NH2+]C[C@@]2(C)CC)n(C)n1 ZINC000089211135 179755849 /nfs/dbraw/zinc/75/58/49/179755849.db2.gz QPYLVIWOYNGWJI-IAGOWNOFSA-N 1 0 290.455 2.335 10 0 CEAERO CC[C@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1cc(C)nn1C ZINC000089210789 179755877 /nfs/dbraw/zinc/75/58/77/179755877.db2.gz RGJIOWYDCOFZCH-HOCLYGCPSA-N 1 0 276.428 2.081 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)N(CC1CC1)CC1CC1 ZINC000089462904 539718804 /nfs/dbraw/zinc/71/88/04/539718804.db2.gz MGRPFFLNQWWGTH-KGLIPLIRSA-N 1 0 250.386 2.010 10 0 CEAERO COc1ccccc1N(C)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089461177 539718858 /nfs/dbraw/zinc/71/88/58/539718858.db2.gz ZKEZQVCOMRJHCQ-NEPJUHHUSA-N 1 0 262.353 2.033 10 0 CEAERO CCn1nc(C)c(Cl)c1CN1CC(C)(C)[NH2+]C[C@@H]1C ZINC000089304944 179767426 /nfs/dbraw/zinc/76/74/26/179767426.db2.gz SFOWWWFYOQPOAF-JTQLQIEISA-N 1 0 284.835 2.437 10 0 CEAERO CCCOC[C@@H](Cc1c(Cl)c(C)nn1CC)[NH2+]C ZINC000089295964 179766768 /nfs/dbraw/zinc/76/67/68/179766768.db2.gz AOLYTLXGBYACDW-LLVKDONJSA-N 1 0 273.808 2.422 10 0 CEAERO Cc1ccccc1CN(C)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089450865 179792488 /nfs/dbraw/zinc/79/24/88/179792488.db2.gz FYWFXOMIFDMVBD-HIFRSBDPSA-N 1 0 260.381 2.328 10 0 CEAERO CC(C)Oc1cncc(OC[C@H]2CCC[C@H]2C[NH3+])n1 ZINC000089538924 179813974 /nfs/dbraw/zinc/81/39/74/179813974.db2.gz COVRPLJVCSXQJF-NWDGAFQWSA-N 1 0 265.357 2.018 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@H]2CCCCC2(C)C)C1 ZINC000250323767 539728725 /nfs/dbraw/zinc/72/87/25/539728725.db2.gz NNGPHPVSSSHQQI-KGLIPLIRSA-N 1 0 254.418 2.266 10 0 CEAERO Cc1ccc(C[C@H](C)NC(=O)[C@H]2CCC[C@@H]2C[NH3+])s1 ZINC000089463144 179797643 /nfs/dbraw/zinc/79/76/43/179797643.db2.gz JLMYXAQZUSFSEK-SUHUHFCYSA-N 1 0 280.437 2.479 10 0 CEAERO CC(C)c1nn(C)cc1C[NH2+]C[C@@H]1CCC[C@H]1CO ZINC000089487096 179801872 /nfs/dbraw/zinc/80/18/72/179801872.db2.gz SNUJAARCRBBNQI-STQMWFEESA-N 1 0 265.401 2.042 10 0 CEAERO Cc1nc(C)c(C[NH2+]C[C@H]2CCC[C@@H]2CO)s1 ZINC000089492125 179802913 /nfs/dbraw/zinc/80/29/13/179802913.db2.gz ZUMQLAUQZVDIDQ-VXGBXAGGSA-N 1 0 254.399 2.258 10 0 CEAERO OC[C@@H]1CCC[C@H]1C[NH2+]CCCOc1ccccc1 ZINC000089498929 179804865 /nfs/dbraw/zinc/80/48/65/179804865.db2.gz QUCQSMBZLVUVET-GJZGRUSLSA-N 1 0 263.381 2.454 10 0 CEAERO Cc1cc(C(=O)NC[C@H]2CCC[C@@H]2C[NH3+])c(C)o1 ZINC000089500487 179805058 /nfs/dbraw/zinc/80/50/58/179805058.db2.gz RAOQOUPAGBJPFO-VXGBXAGGSA-N 1 0 250.342 2.001 10 0 CEAERO Cc1ccc(C(=O)NC[C@@H]2CCCC[C@H]2C[NH3+])c(C)n1 ZINC000089531091 179811140 /nfs/dbraw/zinc/81/11/40/179811140.db2.gz XLMHFUNHDVUXIN-KBPBESRZSA-N 1 0 275.396 2.193 10 0 CEAERO CCN(C(=O)c1cc(Cl)cn1CC)[C@@H]1CCC[NH2+]C1 ZINC000104342132 185975192 /nfs/dbraw/zinc/97/51/92/185975192.db2.gz IGCWIIQBVKJXSE-GFCCVEGCSA-N 1 0 283.803 2.376 10 0 CEAERO C[C@@H]1CCC[C@@](CO)(C[N@H+](C)[C@@H]2CCCN(C)C2)C1 ZINC000089630896 179834088 /nfs/dbraw/zinc/83/40/88/179834088.db2.gz POTDTWYZXPTAQD-OAGGEKHMSA-N 1 0 268.445 2.201 10 0 CEAERO Cc1ccc(C)c([C@H](O)CN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000089653906 179841442 /nfs/dbraw/zinc/84/14/42/179841442.db2.gz RMAZDYOOIXKLTE-NVXWUHKLSA-N 1 0 274.408 2.117 10 0 CEAERO C[C@H]1CN(C(=O)Cc2c[nH]c3ccccc23)C[C@@H]1[NH+](C)C ZINC000089710171 179850964 /nfs/dbraw/zinc/85/09/64/179850964.db2.gz GSBKBJXBZRLWMI-LRDDRELGSA-N 1 0 285.391 2.119 10 0 CEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C(=O)c1cccc(Cl)c1 ZINC000090330632 179962198 /nfs/dbraw/zinc/96/21/98/179962198.db2.gz BGHICPKDPOWFLD-KWCYVHTRSA-N 1 0 278.783 2.410 10 0 CEAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1c1ncnc2ccsc21 ZINC000090333607 179963943 /nfs/dbraw/zinc/96/39/43/179963943.db2.gz ADNYZCDBLWQPNS-CKYFFXLPSA-N 1 0 274.393 2.126 10 0 CEAERO Cc1ccc(F)cc1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1(C)C ZINC000090336242 179965328 /nfs/dbraw/zinc/96/53/28/179965328.db2.gz FMOYHFDDSJVAHO-BXUZGUMPSA-N 1 0 276.355 2.204 10 0 CEAERO CC(=O)c1ccc(NC(=O)CSC[C@@H](C)C[NH3+])cc1 ZINC000090350931 179972616 /nfs/dbraw/zinc/97/26/16/179972616.db2.gz ZSUFOZWXCOJIFH-JTQLQIEISA-N 1 0 280.393 2.156 10 0 CEAERO CC[C@@H]([NH3+])CSCC(=O)N[C@@H](C)CCC(C)C ZINC000090357179 179975589 /nfs/dbraw/zinc/97/55/89/179975589.db2.gz NRJIIIHFIGMMGQ-NWDGAFQWSA-N 1 0 260.447 2.398 10 0 CEAERO c1c(C[NH2+]C2CC2)nnn1-c1ccc2c(c1)CCC2 ZINC000090299465 179952919 /nfs/dbraw/zinc/95/29/19/179952919.db2.gz WVIXCMOJWAGRTH-UHFFFAOYSA-N 1 0 254.337 2.008 10 0 CEAERO O[C@@H]1COCC[C@@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000623767649 350107936 /nfs/dbraw/zinc/10/79/36/350107936.db2.gz ZNDHQBSLSVPZRR-MMVSWEMESA-N 1 0 281.318 2.095 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)N(CC)c1ccccc1 ZINC000090539146 180000519 /nfs/dbraw/zinc/00/05/19/180000519.db2.gz VRVNXFPGFYAYBK-HUUCEWRRSA-N 1 0 276.380 2.054 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccc(CC)cc1 ZINC000090539049 180000566 /nfs/dbraw/zinc/00/05/66/180000566.db2.gz AKQHRWRNERATDZ-GJZGRUSLSA-N 1 0 276.380 2.202 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1CN(C)Cc1cccs1 ZINC000090566142 180006096 /nfs/dbraw/zinc/00/60/96/180006096.db2.gz KFRXVKXNLAMYJR-GXTWGEPZSA-N 1 0 268.426 2.195 10 0 CEAERO CC(C)n1c2cccc(F)c2nc1[C@]1(C)COC[C@H]1[NH3+] ZINC000090571794 180007326 /nfs/dbraw/zinc/00/73/26/180007326.db2.gz ZYXAKPIRSPSOFH-IUODEOHRSA-N 1 0 277.343 2.372 10 0 CEAERO Cc1ccc2c(c1)nc([C@@]1(C)COC[C@@H]1[NH3+])n2C1CC1 ZINC000090571705 180007546 /nfs/dbraw/zinc/00/75/46/180007546.db2.gz XAYTYTVQBKOAJM-HOCLYGCPSA-N 1 0 271.364 2.295 10 0 CEAERO CC(C)n1c2ccccc2nc1[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090571669 180007677 /nfs/dbraw/zinc/00/76/77/180007677.db2.gz HRCYJYMZMDYYIO-ZFWWWQNUSA-N 1 0 259.353 2.232 10 0 CEAERO C[C@]1(C(=O)Nc2cc(Cl)cc(Cl)c2)COC[C@H]1[NH3+] ZINC000090580622 180008159 /nfs/dbraw/zinc/00/81/59/180008159.db2.gz JFQQYILDZDUXIB-PWSUYJOCSA-N 1 0 289.162 2.296 10 0 CEAERO CC(C)(C)c1ccc(NC(=O)[C@@]2(C)COC[C@H]2[NH3+])cc1 ZINC000090580330 180008384 /nfs/dbraw/zinc/00/83/84/180008384.db2.gz KYLHPDZVCJSDRX-CJNGLKHVSA-N 1 0 276.380 2.286 10 0 CEAERO C[C@@]1(c2nc3cc(Cl)ccc3o2)COC[C@@H]1[NH3+] ZINC000090574330 180008844 /nfs/dbraw/zinc/00/88/44/180008844.db2.gz GCQIFCLUSKVTLQ-CMPLNLGQSA-N 1 0 252.701 2.096 10 0 CEAERO C[C@H](c1cccc(Cl)c1)N(C)C(=O)[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090595921 180010452 /nfs/dbraw/zinc/01/04/52/180010452.db2.gz NGKXLHBDJBFWHH-DGFSRKRXSA-N 1 0 296.798 2.223 10 0 CEAERO CCN(Cc1cccc(Cl)c1)C(=O)[C@]1(C)COC[C@H]1[NH3+] ZINC000090592288 180010488 /nfs/dbraw/zinc/01/04/88/180010488.db2.gz QOHARZQLKBDCQS-UKRRQHHQSA-N 1 0 296.798 2.052 10 0 CEAERO [NH3+]Cc1ccc(C2(c3ccccc3)OCCO2)cc1 ZINC000090608833 180012328 /nfs/dbraw/zinc/01/23/28/180012328.db2.gz PPLFLNWTCKEXLB-UHFFFAOYSA-N 1 0 255.317 2.393 10 0 CEAERO COc1cccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1F ZINC000090622686 180015171 /nfs/dbraw/zinc/01/51/71/180015171.db2.gz HTVGQOXPYLCPRF-NWDGAFQWSA-N 1 0 292.354 2.143 10 0 CEAERO COC(C[C@H](C[NH3+])N(Cc1cccs1)C1CC1)OC ZINC000090625185 180016052 /nfs/dbraw/zinc/01/60/52/180016052.db2.gz NARUFHUQLXKFLT-GFCCVEGCSA-N 1 0 284.425 2.049 10 0 CEAERO Cc1cccc(NC(=O)CN(C)CC[C@@H]2CCCC[NH2+]2)c1 ZINC000090693379 180025149 /nfs/dbraw/zinc/02/51/49/180025149.db2.gz IYWIZYXILPGQGQ-HNNXBMFYSA-N 1 0 289.423 2.398 10 0 CEAERO CCCN([C@@](C)(CC)C[NH3+])S(=O)(=O)CCC(C)C ZINC000104446784 186004631 /nfs/dbraw/zinc/00/46/31/186004631.db2.gz JVIRXQGOKHIKFP-ZDUSSCGKSA-N 1 0 278.462 2.202 10 0 CEAERO CCCOc1cc(N(CC)[C@H]2CCC[C@@H]2C[NH3+])ncn1 ZINC000090785285 180040235 /nfs/dbraw/zinc/04/02/35/180040235.db2.gz VBRKDDFFWOHSLI-OLZOCXBDSA-N 1 0 278.400 2.219 10 0 CEAERO CCOc1ncnc(NC(CC)(CC)C[NH3+])c1C ZINC000090789653 180042065 /nfs/dbraw/zinc/04/20/65/180042065.db2.gz LWJLNQJCTIMZGY-UHFFFAOYSA-N 1 0 252.362 2.113 10 0 CEAERO CCOc1ncnc(OC[C@H]2CCCC[C@@H]2C[NH3+])c1C ZINC000090789858 180042259 /nfs/dbraw/zinc/04/22/59/180042259.db2.gz WTCLUCRGFKEACH-CHWSQXEVSA-N 1 0 279.384 2.328 10 0 CEAERO CCC1(CC)[C@@H]([NH3+])C[C@@H]1Oc1ccc(S(C)(=O)=O)cc1 ZINC000090861988 180046858 /nfs/dbraw/zinc/04/68/58/180046858.db2.gz OUEMVTFGNWPLNY-KBPBESRZSA-N 1 0 297.420 2.375 10 0 CEAERO C[NH2+]C1CC(Oc2c(OC)cc(C)cc2OC)C1 ZINC000090861574 180047068 /nfs/dbraw/zinc/04/70/68/180047068.db2.gz XJGZYHABGKZAMX-UHFFFAOYSA-N 1 0 251.326 2.141 10 0 CEAERO CC[NH2+][C@@H]1C[C@@H](Oc2c(C)nn(C)c2C)C1(C)C ZINC000090865731 180047780 /nfs/dbraw/zinc/04/77/80/180047780.db2.gz RSDXWAGEZQMIBO-VXGBXAGGSA-N 1 0 251.374 2.192 10 0 CEAERO C[NH2+]Cc1cccc(SCC(=O)NCC(F)(F)F)c1 ZINC000090870726 180048955 /nfs/dbraw/zinc/04/89/55/180048955.db2.gz UASNBPYIZOVBCK-UHFFFAOYSA-N 1 0 292.326 2.177 10 0 CEAERO [NH3+]Cc1cccc(SCC(=O)N2CCCCC2)c1 ZINC000090870445 180049386 /nfs/dbraw/zinc/04/93/86/180049386.db2.gz PWIFYHADOJGMFN-UHFFFAOYSA-N 1 0 264.394 2.250 10 0 CEAERO C[NH2+][C@H](C)[C@H]1CCCCN1C[C@@H]1Cc2ccccc2O1 ZINC000090873650 180049821 /nfs/dbraw/zinc/04/98/21/180049821.db2.gz YSLNCWZSWQCZKY-VNQPRFMTSA-N 1 0 274.408 2.453 10 0 CEAERO C[C@@H](CN1CCCC1)[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000090874394 180049932 /nfs/dbraw/zinc/04/99/32/180049932.db2.gz MMMXMLVIMGSOSF-ZFWWWQNUSA-N 1 0 260.381 2.064 10 0 CEAERO CC(C)[NH2+]Cc1cccc(SC[C@H](C)C(N)=O)c1 ZINC000090872062 180050009 /nfs/dbraw/zinc/05/00/09/180050009.db2.gz ZOYCOBGQUGKGSN-NSHDSACASA-N 1 0 266.410 2.398 10 0 CEAERO c1ccc2c(c1)C[C@@H](C[NH2+]CCN1CCCCC1)O2 ZINC000090874453 180050355 /nfs/dbraw/zinc/05/03/55/180050355.db2.gz GFBBLVJXNDSTDI-HNNXBMFYSA-N 1 0 260.381 2.066 10 0 CEAERO COCC[NH2+]C[C@]1(C[C@@H]2Cc3ccccc3O2)CCOC1 ZINC000090877334 180051692 /nfs/dbraw/zinc/05/16/92/180051692.db2.gz ZRNOJKBHJDKWSE-DOTOQJQBSA-N 1 0 291.391 2.023 10 0 CEAERO Cc1nn(C[C@@H]2Cc3ccccc3O2)c(C)c1C[C@H](C)[NH3+] ZINC000090877420 180051844 /nfs/dbraw/zinc/05/18/44/180051844.db2.gz MVFHUFFFIPJBTL-NHYWBVRUSA-N 1 0 285.391 2.393 10 0 CEAERO CC[C@H](C)[C@@H]1C[NH2+]CCN1C[C@@H]1Cc2ccccc2O1 ZINC000090878265 180051967 /nfs/dbraw/zinc/05/19/67/180051967.db2.gz QCMWAUMTWSYNPU-BPUTZDHNSA-N 1 0 274.408 2.310 10 0 CEAERO CC(C)[NH2+]CCN(C)C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893507 180055522 /nfs/dbraw/zinc/05/55/22/180055522.db2.gz CRUIYISVFFTQNX-AWEZNQCLSA-N 1 0 266.360 2.059 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](C[NH2+][C@H]1CCN(C3CC3)C1)O2 ZINC000090897807 180056717 /nfs/dbraw/zinc/05/67/17/180056717.db2.gz JWYFCVBJGAZKNI-HOCLYGCPSA-N 1 0 272.392 2.125 10 0 CEAERO C[C@H]1C[NH2+]C(C)(C)CN1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090896168 180056866 /nfs/dbraw/zinc/05/68/66/180056866.db2.gz WRKPSAGCAXDLSA-FZMZJTMJSA-N 1 0 278.371 2.202 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[NH2+]Cc1cccnc1)O2 ZINC000090897282 180056883 /nfs/dbraw/zinc/05/68/83/180056883.db2.gz KJBOHDVFDQERQJ-OAHLLOKOSA-N 1 0 254.333 2.483 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](C[NH2+]C[C@H]1CCCCO1)O2 ZINC000090897767 180057293 /nfs/dbraw/zinc/05/72/93/180057293.db2.gz OZODBIMNOAZKIK-CABCVRRESA-N 1 0 261.365 2.457 10 0 CEAERO CCC(CC)(CO)[NH2+]C[C@H]1Cc2cc(C)ccc2O1 ZINC000090897937 180057345 /nfs/dbraw/zinc/05/73/45/180057345.db2.gz UVQKEXNBJHXDFR-CQSZACIVSA-N 1 0 263.381 2.439 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](C[N@@H+](C)C[C@@H](C)C(N)=S)O2 ZINC000090898417 180057727 /nfs/dbraw/zinc/05/77/27/180057727.db2.gz MOGOQNGNWJFHND-YPMHNXCESA-N 1 0 278.421 2.153 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[N@@H+]1CCCC[C@@H]1C(N)=S)O2 ZINC000090898440 180057945 /nfs/dbraw/zinc/05/79/45/180057945.db2.gz SPWKQAMLHYXBLH-ZIAGYGMSSA-N 1 0 290.432 2.439 10 0 CEAERO CSc1ccc([C@H](C[NH3+])N2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090905671 180059783 /nfs/dbraw/zinc/05/97/83/180059783.db2.gz FGBBFQABAWVNDF-GUTXKFCHSA-N 1 0 278.421 2.272 10 0 CEAERO C[NH2+][C@H](CN1C[C@H]2CC[C@@H](C1)O2)c1ccccc1C ZINC000090906092 180061053 /nfs/dbraw/zinc/06/10/53/180061053.db2.gz FGKGXNDUPJRYQM-IJEWVQPXSA-N 1 0 260.381 2.119 10 0 CEAERO CC(C)[NH2+]Cc1occc1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000090907970 180061710 /nfs/dbraw/zinc/06/17/10/180061710.db2.gz HJWFKJPUFOZDCQ-OKILXGFUSA-N 1 0 264.369 2.141 10 0 CEAERO CC[NH2+][C@H]1CCCc2nc(N3C[C@H]4CC[C@@H](C3)O4)sc21 ZINC000090908130 180061980 /nfs/dbraw/zinc/06/19/80/180061980.db2.gz SEYVNJUOYJFMMZ-TUAOUCFPSA-N 1 0 293.436 2.498 10 0 CEAERO CC(C)[NH2+]Cc1csc(N2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000090908314 180062237 /nfs/dbraw/zinc/06/22/37/180062237.db2.gz NARGLUWCIFCMOS-TXEJJXNPSA-N 1 0 267.398 2.009 10 0 CEAERO [NH3+]CCc1nc(-c2nc3cc(F)ccc3[nH]2)cs1 ZINC000090934646 180067651 /nfs/dbraw/zinc/06/76/51/180067651.db2.gz OXGBMZJGRRFBCJ-UHFFFAOYSA-N 1 0 262.313 2.327 10 0 CEAERO COc1ccc(NC(=O)c2csc(CC[NH3+])n2)cc1C ZINC000090952790 180073323 /nfs/dbraw/zinc/07/33/23/180073323.db2.gz ZMYKHNGLMJQAIU-UHFFFAOYSA-N 1 0 291.376 2.214 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+][C@@H](CO)CC(C)C ZINC000090960410 180075270 /nfs/dbraw/zinc/07/52/70/180075270.db2.gz HRYKISMLLLKETJ-LLVKDONJSA-N 1 0 270.398 2.203 10 0 CEAERO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1sccc1NC(C)=O ZINC000090960558 180075380 /nfs/dbraw/zinc/07/53/80/180075380.db2.gz JFBJIKBBTBHOHF-CMPLNLGQSA-N 1 0 268.382 2.364 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+]C[C@@H]1CCCCN1C ZINC000090960505 180075387 /nfs/dbraw/zinc/07/53/87/180075387.db2.gz ANBRHMQEIFXHIR-LBPRGKRZSA-N 1 0 281.425 2.280 10 0 CEAERO CN(Cc1ccc(C[NH3+])cc1)C(=O)[C@H]1Cc2ccccc21 ZINC000090982618 180079526 /nfs/dbraw/zinc/07/95/26/180079526.db2.gz HIFCQTZCMWNJLZ-KRWDZBQOSA-N 1 0 280.371 2.444 10 0 CEAERO O=C([C@@H]1Cc2ccccc21)N1CCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000090983779 180080008 /nfs/dbraw/zinc/08/00/08/180080008.db2.gz YSGDSDPSSVMWED-OIISXLGYSA-N 1 0 284.403 2.317 10 0 CEAERO [NH3+]C[C@@H](Cc1ccccc1)NC(=O)[C@H]1Cc2ccccc21 ZINC000090987177 180080827 /nfs/dbraw/zinc/08/08/27/180080827.db2.gz ICZYKWCGZPFXLE-WBVHZDCISA-N 1 0 280.371 2.013 10 0 CEAERO CCC[NH2+]Cc1cccn1CC(=O)NC1CCCCC1 ZINC000091000994 180083448 /nfs/dbraw/zinc/08/34/48/180083448.db2.gz ZXWCHXNQTVJSEQ-UHFFFAOYSA-N 1 0 277.412 2.437 10 0 CEAERO CCc1noc(Cn2cccc2C[NH2+]CC(C)C)n1 ZINC000091001915 180083450 /nfs/dbraw/zinc/08/34/50/180083450.db2.gz JVIBRTUHKMZZED-UHFFFAOYSA-N 1 0 262.357 2.227 10 0 CEAERO CCCc1noc(Cn2cccc2C[NH2+]C(C)C)n1 ZINC000091001277 180083510 /nfs/dbraw/zinc/08/35/10/180083510.db2.gz LOTBXXVLWAXQHB-UHFFFAOYSA-N 1 0 262.357 2.370 10 0 CEAERO FC(F)n1ccnc1Cn1cccc1C[NH2+]C1CC1 ZINC000091001526 180083551 /nfs/dbraw/zinc/08/35/51/180083551.db2.gz BNQSBJOLKDOBFP-UHFFFAOYSA-N 1 0 266.295 2.380 10 0 CEAERO COC(=O)CCCn1cccc1C[NH2+]C(C)(C)C ZINC000091001654 180083559 /nfs/dbraw/zinc/08/35/59/180083559.db2.gz POVSTERQKUHMDT-UHFFFAOYSA-N 1 0 252.358 2.329 10 0 CEAERO CC(C)NC(=O)CCn1ccc(C[NH2+]C(C)(C)C)c1 ZINC000091004142 180083713 /nfs/dbraw/zinc/08/37/13/180083713.db2.gz JLXFKBOIKJJGPI-UHFFFAOYSA-N 1 0 265.401 2.291 10 0 CEAERO C[NH2+]Cc1ccn(Cc2c(Br)c(C)nn2C)c1 ZINC000091002960 180083971 /nfs/dbraw/zinc/08/39/71/180083971.db2.gz RNKFVXIMZQHHHD-UHFFFAOYSA-N 1 0 297.200 2.060 10 0 CEAERO CC(C)CNC(=O)Cn1ccc(C[NH2+]CC(C)C)c1 ZINC000091004402 180083973 /nfs/dbraw/zinc/08/39/73/180083973.db2.gz GLWZDWLEMFSIEI-UHFFFAOYSA-N 1 0 265.401 2.006 10 0 CEAERO COc1ccc(C[NH2+]Cc2c[nH]c3ncccc23)cn1 ZINC000091016283 180086850 /nfs/dbraw/zinc/08/68/50/180086850.db2.gz SNYFZTLXASLQSS-UHFFFAOYSA-N 1 0 268.320 2.256 10 0 CEAERO CCCn1ccc(C[NH2+]C[C@@H]2CCC[C@H]2CO)c1 ZINC000091016021 180087104 /nfs/dbraw/zinc/08/71/04/180087104.db2.gz NOCZILCFGLJVSB-GJZGRUSLSA-N 1 0 250.386 2.396 10 0 CEAERO C[NH2+]Cc1cn(Cc2cncn2C2CC2)c2ncccc12 ZINC000091019706 180087765 /nfs/dbraw/zinc/08/77/65/180087765.db2.gz QLRJJGVVVDDDMG-UHFFFAOYSA-N 1 0 281.363 2.335 10 0 CEAERO CCCN(Cc1c[nH]c2ncccc12)[C@H]1CC[NH2+]C1 ZINC000091019644 180087819 /nfs/dbraw/zinc/08/78/19/180087819.db2.gz OTFCGEVJDHGZNM-ZDUSSCGKSA-N 1 0 258.369 2.137 10 0 CEAERO CCCn1cncc1Cn1cc(C[NH2+]C)c2cccnc21 ZINC000091019837 180087857 /nfs/dbraw/zinc/08/78/57/180087857.db2.gz WMUOXDSLPQHQAS-UHFFFAOYSA-N 1 0 283.379 2.411 10 0 CEAERO CCn1cc(Cn2cc(C[NH2+]C)c3cccnc32)cn1 ZINC000091019453 180087914 /nfs/dbraw/zinc/08/79/14/180087914.db2.gz QQIQRLBLNIMRAD-UHFFFAOYSA-N 1 0 269.352 2.020 10 0 CEAERO COCC[NH2+]Cc1cn(CCOC(C)C)c2ncccc12 ZINC000091021298 180088639 /nfs/dbraw/zinc/08/86/39/180088639.db2.gz YXFYZIXWUPDFPE-UHFFFAOYSA-N 1 0 291.395 2.197 10 0 CEAERO CCn1cccc1C[NH2+][C@@H](CC(C)C)C(=O)N(C)C ZINC000091023532 180089039 /nfs/dbraw/zinc/08/90/39/180089039.db2.gz PGLZIQDBAKGROZ-AWEZNQCLSA-N 1 0 265.401 2.101 10 0 CEAERO C[C@@H](NC(=O)C[C@H]1CSCC[NH2+]1)c1ccccc1F ZINC000091135399 180103932 /nfs/dbraw/zinc/10/39/32/180103932.db2.gz BWTIGGPYHJLAJM-MNOVXSKESA-N 1 0 282.384 2.098 10 0 CEAERO CCCC[NH+](CCCC)[C@@H](CN)CC(=O)NCCC ZINC000091316994 180133848 /nfs/dbraw/zinc/13/38/48/180133848.db2.gz GXFNHMUIDZMSFU-CQSZACIVSA-N 1 0 271.449 2.132 10 0 CEAERO CC[N@H+]([C@H](CN)CC(=O)NC(C)(C)C)C1CCCCC1 ZINC000091320723 180133921 /nfs/dbraw/zinc/13/39/21/180133921.db2.gz XMLYWMXIMZPUBA-AWEZNQCLSA-N 1 0 283.460 2.273 10 0 CEAERO CC(C)C[NH+](CC(C)C)[C@@H](CN)CC(=O)N1CCCCC1 ZINC000091325224 180135271 /nfs/dbraw/zinc/13/52/71/180135271.db2.gz JSGLMBHRSLLHLY-MRXNPFEDSA-N 1 0 297.487 2.330 10 0 CEAERO CCc1c(C[NH2+]CCOC)cnn1[C@@H](C)C1CC1 ZINC000091338125 180136518 /nfs/dbraw/zinc/13/65/18/180136518.db2.gz NQMOAGCGFMGXHJ-NSHDSACASA-N 1 0 251.374 2.153 10 0 CEAERO Cc1cc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3[NH2+]2)no1 ZINC000091358731 180140362 /nfs/dbraw/zinc/14/03/62/180140362.db2.gz CPKAGJIQGYTDBN-WOPDTQHZSA-N 1 0 263.341 2.232 10 0 CEAERO COc1cccc([C@@H]([NH3+])CSC[C@H](C)CO)c1 ZINC000091260671 180115931 /nfs/dbraw/zinc/11/59/31/180115931.db2.gz ZLUNXRTXWRPZPN-MFKMUULPSA-N 1 0 255.383 2.057 10 0 CEAERO C[C@@H](CCO)SCc1ccc(C(N)=[NH2+])cc1F ZINC000091264160 180116511 /nfs/dbraw/zinc/11/65/11/180116511.db2.gz SJEVTPADFRIJQU-QMMMGPOBSA-N 1 0 256.346 2.114 10 0 CEAERO CC(C)CCN(C)[C@@H](C[NH3+])c1cncn1C1CC1 ZINC000091276345 180120117 /nfs/dbraw/zinc/12/01/17/180120117.db2.gz XJWFNBWFKWIUMH-ZDUSSCGKSA-N 1 0 250.390 2.196 10 0 CEAERO c1ncn(C2CC2)c1CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000091277037 180120574 /nfs/dbraw/zinc/12/05/74/180120574.db2.gz PXILTZNXQFYJOZ-JKSUJKDBSA-N 1 0 274.412 2.325 10 0 CEAERO C[C@H](C[NH2+][C@@H](c1ccccc1)C1CC1)N1CCOCC1 ZINC000091281163 180121317 /nfs/dbraw/zinc/12/13/17/180121317.db2.gz ORHRKYVQWMUTFG-PBHICJAKSA-N 1 0 274.408 2.448 10 0 CEAERO O=C(C[C@@H]1C[NH2+]CCO1)Nc1ccccc1C(F)(F)F ZINC000091298920 180125194 /nfs/dbraw/zinc/12/51/94/180125194.db2.gz XKWVROXSFYPNMD-SECBINFHSA-N 1 0 288.269 2.022 10 0 CEAERO CCOc1ccc(Oc2cncc(C[NH2+]C)n2)cc1 ZINC000091434204 180154412 /nfs/dbraw/zinc/15/44/12/180154412.db2.gz ZHKKEVOFXDTUCH-UHFFFAOYSA-N 1 0 259.309 2.387 10 0 CEAERO C[C@@H]1CCC[C@@H](C[NH3+])N1C(=O)c1ccncc1Cl ZINC000091457032 180160184 /nfs/dbraw/zinc/16/01/84/180160184.db2.gz ZEYVAEDZEXOJHR-ZJUUUORDSA-N 1 0 267.760 2.077 10 0 CEAERO C[NH2+][C@@H](C)c1cc(F)ccc1N(C)CC1CC(O)C1 ZINC000091459874 180161544 /nfs/dbraw/zinc/16/15/44/180161544.db2.gz GPUUPGJOHSTGSC-ZBOXLXRLSA-N 1 0 266.360 2.313 10 0 CEAERO Cc1ccsc1[C@@H]([C@H](C)[NH3+])N(C)CC1CC(O)C1 ZINC000091462846 180162057 /nfs/dbraw/zinc/16/20/57/180162057.db2.gz ZVWZWXOXNAWALJ-YWPUVAFDSA-N 1 0 268.426 2.148 10 0 CEAERO CC[NH2+]CC[C@](C)(O)Cc1ccn([C@H](C)CC)n1 ZINC000091467771 180164203 /nfs/dbraw/zinc/16/42/03/180164203.db2.gz RYUSAOSKCUOWHG-OCCSQVGLSA-N 1 0 253.390 2.147 10 0 CEAERO CCC[NH2+]C[C@H](O)Cc1c(Cl)c(CC)nn1CC ZINC000091469788 180164923 /nfs/dbraw/zinc/16/49/23/180164923.db2.gz QKGWZRDLUQHVSV-SNVBAGLBSA-N 1 0 273.808 2.022 10 0 CEAERO CCCc1nsc(N2CCC(C[NH3+])(SC)CC2)n1 ZINC000091472943 180165535 /nfs/dbraw/zinc/16/55/35/180165535.db2.gz PWFHPYHYPAYNFF-UHFFFAOYSA-N 1 0 286.470 2.151 10 0 CEAERO CSC1(C[NH3+])CCN(c2nc(C3CC3)ns2)CC1 ZINC000091475513 180165978 /nfs/dbraw/zinc/16/59/78/180165978.db2.gz FNPHDUNENSAYOB-UHFFFAOYSA-N 1 0 284.454 2.076 10 0 CEAERO CC1(C)C(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1(C)C ZINC000091482510 180167162 /nfs/dbraw/zinc/16/71/62/180167162.db2.gz WWCLEHQNSQHOBI-QJPTWQEYSA-N 1 0 264.413 2.173 10 0 CEAERO C[N@@H+](Cc1cc(-c2ccco2)on1)CC1CC(O)C1 ZINC000091489514 180169170 /nfs/dbraw/zinc/16/91/70/180169170.db2.gz IVFIEIQRTKUCSK-UHFFFAOYSA-N 1 0 262.309 2.137 10 0 CEAERO CCn1nc(C)c(-c2csc([C@@H]3C[NH2+]CCO3)n2)c1C ZINC000091499633 180174180 /nfs/dbraw/zinc/17/41/80/180174180.db2.gz FYIHNSSXSPELHM-LBPRGKRZSA-N 1 0 292.408 2.304 10 0 CEAERO Cc1ccc(C[C@@H]([NH3+])c2cccc3c2OCCO3)nc1 ZINC000091385261 180143565 /nfs/dbraw/zinc/14/35/65/180143565.db2.gz CAUVOEMJNCOYAQ-CQSZACIVSA-N 1 0 270.332 2.404 10 0 CEAERO Cc1cccnc1C[C@@H]([NH3+])c1ccc2c(c1)OCO2 ZINC000091383829 180144150 /nfs/dbraw/zinc/14/41/50/180144150.db2.gz ZILJQJJZPZWYAE-GFCCVEGCSA-N 1 0 256.305 2.361 10 0 CEAERO CCOC(=O)[C@H]1C[C@]12CC[N@H+](Cc1ccccc1)C2 ZINC000104853510 186028948 /nfs/dbraw/zinc/02/89/48/186028948.db2.gz FCWLRKKKNGDVQE-ZBFHGGJFSA-N 1 0 259.349 2.462 10 0 CEAERO CC[C@H](C)N(C)c1cncc(C[NH2+]CC(C)C)n1 ZINC000091419060 180150655 /nfs/dbraw/zinc/15/06/55/180150655.db2.gz HTOFJFZHMXJXFR-LBPRGKRZSA-N 1 0 250.390 2.457 10 0 CEAERO CC[NH2+]Cc1cncc(N(CCOC)C(CC)CC)n1 ZINC000091420832 180150718 /nfs/dbraw/zinc/15/07/18/180150718.db2.gz ORPGICWPCFACES-UHFFFAOYSA-N 1 0 280.416 2.228 10 0 CEAERO CC[NH2+]Cc1cncc(-n2nc(C)c(Cl)c2C)n1 ZINC000091422269 180151118 /nfs/dbraw/zinc/15/11/18/180151118.db2.gz WOADPYUVCQRIGO-UHFFFAOYSA-N 1 0 265.748 2.042 10 0 CEAERO C[NH2+][C@@H](Cc1ccncc1)C(C)(C)N1CCCCC1 ZINC000091564977 180193255 /nfs/dbraw/zinc/19/32/55/180193255.db2.gz OBSDTEVTXFRBSR-HNNXBMFYSA-N 1 0 261.413 2.477 10 0 CEAERO CCCn1ncnc1C[C@H]([NH2+]C)C(C)(C)N1CCCCC1 ZINC000091564968 180193397 /nfs/dbraw/zinc/19/33/97/180193397.db2.gz AMGJRGCBCGBITD-AWEZNQCLSA-N 1 0 293.459 2.083 10 0 CEAERO CC(C)Cn1ncnc1C[C@H](O)C(C)(C)[NH+]1CCCCC1 ZINC000091564140 180193747 /nfs/dbraw/zinc/19/37/47/180193747.db2.gz HCGOVWXLNNYSAD-AWEZNQCLSA-N 1 0 294.443 2.102 10 0 CEAERO COc1ccc([C@H]([NH3+])C(C)(C)N2CCOCC2)c(C)c1 ZINC000091566203 180194094 /nfs/dbraw/zinc/19/40/94/180194094.db2.gz IPXBNSBTEXHMKA-HNNXBMFYSA-N 1 0 278.396 2.114 10 0 CEAERO C[NH2+][C@H](c1cc(F)cc(F)c1)C(C)(C)N1CCOCC1 ZINC000091566614 180194182 /nfs/dbraw/zinc/19/41/82/180194182.db2.gz WYVQCXWKBVWLRH-CQSZACIVSA-N 1 0 284.350 2.336 10 0 CEAERO C[NH2+][C@@H](c1ccccc1C)C(C)(C)N1CCOCC1 ZINC000091566433 180194191 /nfs/dbraw/zinc/19/41/91/180194191.db2.gz ONDRLSWMJAGYJZ-HNNXBMFYSA-N 1 0 262.397 2.366 10 0 CEAERO Cc1ccc(C[C@H](O)C(C)(C)[NH+]2CCOCC2)cc1 ZINC000091565914 180194193 /nfs/dbraw/zinc/19/41/93/180194193.db2.gz DZNCOUVIZPEWNY-HNNXBMFYSA-N 1 0 263.381 2.009 10 0 CEAERO CCC[NH2+][C@H](CC[C@H]1CCCO1)C(C)(C)N1CCOCC1 ZINC000091567119 180194739 /nfs/dbraw/zinc/19/47/39/180194739.db2.gz ROJUTYZNFORTPO-HZPDHXFCSA-N 1 0 298.471 2.425 10 0 CEAERO CC[NH2+][C@@H](c1cnccc1C)C(C)(C)N1CCOCC1 ZINC000091566978 180195130 /nfs/dbraw/zinc/19/51/30/180195130.db2.gz MGGQOYWJWAMZFL-HNNXBMFYSA-N 1 0 277.412 2.151 10 0 CEAERO CCCn1cc([C@@H]([NH2+]C)[C@@](C)(CC)N(C)C)cn1 ZINC000091570777 180195482 /nfs/dbraw/zinc/19/54/82/180195482.db2.gz KFFONBNOGOVLJY-ZIAGYGMSSA-N 1 0 252.406 2.284 10 0 CEAERO CC[C@](C)([C@@H](N)c1cc(OC)ccc1OC)[NH+](C)C ZINC000091570147 180195666 /nfs/dbraw/zinc/19/56/66/180195666.db2.gz OVVOSJKSQAUCKS-LSDHHAIUSA-N 1 0 266.385 2.434 10 0 CEAERO CC[C@](C)([C@@H](N)Cc1ccc(OC)c(F)c1)[NH+](C)C ZINC000091569647 180195686 /nfs/dbraw/zinc/19/56/86/180195686.db2.gz BRCKOKKNQWICIP-LSDHHAIUSA-N 1 0 268.376 2.434 10 0 CEAERO CC[C@](C)([C@@H](N)c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000091569823 180195856 /nfs/dbraw/zinc/19/58/56/180195856.db2.gz QYMAEFJMMGISCX-LSDHHAIUSA-N 1 0 266.385 2.434 10 0 CEAERO CCn1cc(C[C@H](O)[C@](C)(CC)[NH+](CC)CC)cn1 ZINC000091572942 180196134 /nfs/dbraw/zinc/19/61/34/180196134.db2.gz JHGNJTUNBSLLHD-GJZGRUSLSA-N 1 0 267.417 2.317 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@@H](O)c1cccnc1N ZINC000091573023 180196210 /nfs/dbraw/zinc/19/62/10/180196210.db2.gz RDJLHUZDYLZCMT-GXTWGEPZSA-N 1 0 251.374 2.208 10 0 CEAERO CCCn1ncnc1C[C@H](O)[C@](C)(CC)[NH+](CC)CC ZINC000091572866 180196481 /nfs/dbraw/zinc/19/64/81/180196481.db2.gz JSSDRJDWFQCGFX-ZFWWWQNUSA-N 1 0 282.432 2.102 10 0 CEAERO CCn1ccnc1[C@@H](O)[C@@](C)(CC)[NH+](CC)CC ZINC000091572861 180196540 /nfs/dbraw/zinc/19/65/40/180196540.db2.gz QLEXTXNCLQRNPU-TZMCWYRMSA-N 1 0 253.390 2.447 10 0 CEAERO CC(C)c1nn(C)c(N2CC[NH+](C3CCCC3)CC2)c1N ZINC000091577525 180197837 /nfs/dbraw/zinc/19/78/37/180197837.db2.gz HHOQOLYNBDKIAZ-UHFFFAOYSA-N 1 0 291.443 2.190 10 0 CEAERO CC(C)c1nn(C)c(NC[C@H](C)[NH+]2CCCCC2)c1N ZINC000091581417 180198888 /nfs/dbraw/zinc/19/88/88/180198888.db2.gz CHSRMLGNALQKAJ-LBPRGKRZSA-N 1 0 279.432 2.412 10 0 CEAERO CCn1nc(C)cc1C[C@H](O)[C@@](C)(CC)[NH+]1CCCC1 ZINC000091602566 180203368 /nfs/dbraw/zinc/20/33/68/180203368.db2.gz XEOFHNLGVTVNDU-JKSUJKDBSA-N 1 0 279.428 2.379 10 0 CEAERO CC[C@](C)([C@@H](O)c1c(C)ccnc1N)[NH+]1CCCC1 ZINC000091602532 180203424 /nfs/dbraw/zinc/20/34/24/180203424.db2.gz OEMNMMPXWVSTMG-DZGCQCFKSA-N 1 0 263.385 2.270 10 0 CEAERO CC[C@@](C)([C@H](N)c1c(C)ccnc1N)[NH+]1CCCC1 ZINC000091604777 180203844 /nfs/dbraw/zinc/20/38/44/180203844.db2.gz YAIIIMJFPCKVRU-HIFRSBDPSA-N 1 0 262.401 2.237 10 0 CEAERO CC[NH2+][C@@H](c1cncnc1)[C@](C)(CC)N1CCCC1 ZINC000091607179 180204540 /nfs/dbraw/zinc/20/45/40/180204540.db2.gz ZKCMWSIJXKJIFK-GJZGRUSLSA-N 1 0 262.401 2.392 10 0 CEAERO CC[C@](C)([C@H]([NH3+])Cc1cccc(F)c1F)N1CCOCC1 ZINC000091611626 180206144 /nfs/dbraw/zinc/20/61/44/180206144.db2.gz HTIATJSRRZZGLJ-GDBMZVCRSA-N 1 0 298.377 2.336 10 0 CEAERO CC[C@](C)([C@@H]([NH3+])c1ccsc1)N1CCOCC1 ZINC000091611620 180206255 /nfs/dbraw/zinc/20/62/55/180206255.db2.gz YYTJGBHWGKJMBE-QWHCGFSZSA-N 1 0 254.399 2.249 10 0 CEAERO CC[C@](C)([C@@H]([NH3+])Cc1ccncc1Cl)N1CCOCC1 ZINC000091611712 180206269 /nfs/dbraw/zinc/20/62/69/180206269.db2.gz UNTZEHVBRVDCGL-LSDHHAIUSA-N 1 0 297.830 2.106 10 0 CEAERO CC[C@](C)([C@@H]([NH3+])Cc1ccc(C)cc1)N1CCOCC1 ZINC000091611744 180206670 /nfs/dbraw/zinc/20/66/70/180206670.db2.gz SQIXEQPRSHHNIK-DLBZAZTESA-N 1 0 276.424 2.366 10 0 CEAERO CC[C@@](C)([C@@H](O)Cc1ccccc1OC)[NH+]1CCOCC1 ZINC000091611347 180206844 /nfs/dbraw/zinc/20/68/44/180206844.db2.gz LOGCFUXMFIKLIY-IRXDYDNUSA-N 1 0 293.407 2.100 10 0 CEAERO CC[C@](C)([C@@H](Cc1cccs1)[NH2+]C)N1CCOCC1 ZINC000091612466 180207081 /nfs/dbraw/zinc/20/70/81/180207081.db2.gz HKHKBIOCJLXKED-HUUCEWRRSA-N 1 0 282.453 2.380 10 0 CEAERO CC[C@](C)([C@@H](Cc1ccccc1F)[NH2+]C)N1CCOCC1 ZINC000091612214 180207139 /nfs/dbraw/zinc/20/71/39/180207139.db2.gz OSJZIAVVEWZUKC-IAGOWNOFSA-N 1 0 294.414 2.457 10 0 CEAERO CC[C@@](C)([C@@H](Cc1ccccc1F)[NH2+]C)N1CCOCC1 ZINC000091612213 180207215 /nfs/dbraw/zinc/20/72/15/180207215.db2.gz OSJZIAVVEWZUKC-SJORKVTESA-N 1 0 294.414 2.457 10 0 CEAERO CC[C@](C)([C@H]([NH3+])c1cccs1)N1CCOCC1 ZINC000091612182 180207340 /nfs/dbraw/zinc/20/73/40/180207340.db2.gz TUNOHQVMVMJZHB-CHWSQXEVSA-N 1 0 254.399 2.249 10 0 CEAERO CCC(CC)([C@H](N)c1cc(Cl)cnc1N)[NH+](C)C ZINC000091613899 180207895 /nfs/dbraw/zinc/20/78/95/180207895.db2.gz IZLHZLMGVFZRKZ-LLVKDONJSA-N 1 0 270.808 2.437 10 0 CEAERO CCC(CC)([C@@H](O)Cc1csc(C)n1)[NH+](C)C ZINC000091613800 180207949 /nfs/dbraw/zinc/20/79/49/180207949.db2.gz XZSUEUSXUSZSHT-LBPRGKRZSA-N 1 0 256.415 2.475 10 0 CEAERO CC[NH2+][C@H](c1cnn(C)c1)C(CC)(CC)N(C)C ZINC000091614800 180208000 /nfs/dbraw/zinc/20/80/00/180208000.db2.gz CRXDBULUAZMGFR-CYBMUJFWSA-N 1 0 252.406 2.191 10 0 CEAERO COCC[NH2+]CC[C@@](C)(O)Cc1ccccc1Cl ZINC000091505546 180176143 /nfs/dbraw/zinc/17/61/43/180176143.db2.gz MPCRWWNOJALPHU-CQSZACIVSA-N 1 0 271.788 2.260 10 0 CEAERO COCC[NH2+]CC[C@@](C)(O)c1cnc2ccccc2c1 ZINC000091519497 180178041 /nfs/dbraw/zinc/17/80/41/180178041.db2.gz NTXTVSSKJKCVAJ-MRXNPFEDSA-N 1 0 274.364 2.068 10 0 CEAERO COCC[NH2+]CC[C@@](C)(O)Cc1ccc(C)c(C)c1 ZINC000091520648 180178096 /nfs/dbraw/zinc/17/80/96/180178096.db2.gz ANWJCAORSKLNIM-MRXNPFEDSA-N 1 0 265.397 2.223 10 0 CEAERO CC[C@@H](C)n1ccc(C[C@@H](N)C(C)(C)[NH+](C)C)n1 ZINC000091528391 180179462 /nfs/dbraw/zinc/17/94/62/180179462.db2.gz IFNPDIBCMLUGQE-DGCLKSJQSA-N 1 0 252.406 2.064 10 0 CEAERO CCn1nc(C)c(Cl)c1C[C@H]([NH2+]C)C(C)(C)N(C)C ZINC000091528738 180180424 /nfs/dbraw/zinc/18/04/24/180180424.db2.gz GHBOLGUVQOYFSK-LBPRGKRZSA-N 1 0 286.851 2.336 10 0 CEAERO CCc1cc(C[C@H](O)C(C)(C)[NH+](CC)CC)n(C)n1 ZINC000091529988 180180533 /nfs/dbraw/zinc/18/05/33/180180533.db2.gz QYYZBQAHFRLTLN-AWEZNQCLSA-N 1 0 267.417 2.006 10 0 CEAERO CCc1cc(C[C@@H]([NH2+]C)C(C)(C)N(CC)CC)n(C)n1 ZINC000091530903 180180637 /nfs/dbraw/zinc/18/06/37/180180637.db2.gz TXMWLCLFBZGGKL-OAHLLOKOSA-N 1 0 280.460 2.233 10 0 CEAERO CC[NH+](CC)C(C)(C)[C@@H](O)Cc1csc(C)n1 ZINC000091530203 180180827 /nfs/dbraw/zinc/18/08/27/180180827.db2.gz KJPHMQXBEKAHPX-LBPRGKRZSA-N 1 0 256.415 2.475 10 0 CEAERO Cn1nc(C[C@H](N)C(C)(C)[NH+]2CCCC2)c2ccccc21 ZINC000091533706 180181465 /nfs/dbraw/zinc/18/14/65/180181465.db2.gz YBBUVFLBVVXFKU-INIZCTEOSA-N 1 0 286.423 2.318 10 0 CEAERO C[NH2+][C@@H](CC[C@H]1CCCO1)C(C)(C)N1CCCC1 ZINC000091534557 180181598 /nfs/dbraw/zinc/18/15/98/180181598.db2.gz BCACUXIIJDDZTR-KGLIPLIRSA-N 1 0 254.418 2.408 10 0 CEAERO COc1c(C)cnc(C[C@H](O)C(C)(C)[NH+]2CCCC2)c1C ZINC000091532957 180181719 /nfs/dbraw/zinc/18/17/19/180181719.db2.gz UWNHOCAHYWKBQW-HNNXBMFYSA-N 1 0 292.423 2.485 10 0 CEAERO [NH3+][C@H]1CC[C@@H](C(=O)Nc2cc(F)c(F)c(F)c2)C1 ZINC000091546043 180186823 /nfs/dbraw/zinc/18/68/23/180186823.db2.gz BFTYCZFCUZXGNA-RQJHMYQMSA-N 1 0 258.243 2.170 10 0 CEAERO [NH3+][C@H]1CC[C@H](C(=O)Nc2ccc(N3CCCC3)cc2)C1 ZINC000091546251 180187208 /nfs/dbraw/zinc/18/72/08/180187208.db2.gz FOTWDJCNJICAPS-STQMWFEESA-N 1 0 273.380 2.353 10 0 CEAERO C[NH2+][C@H](c1cc(Cl)cnc1N)C1(N(C)C)CCCC1 ZINC000091637559 180212313 /nfs/dbraw/zinc/21/23/13/180212313.db2.gz SFWRXZZMTKYGFE-GFCCVEGCSA-N 1 0 282.819 2.452 10 0 CEAERO CC1CCC([C@H](O)C2CCOCC2)([NH+](C)C)CC1 ZINC000091648345 180215171 /nfs/dbraw/zinc/21/51/71/180215171.db2.gz NEIZKCNEYJWLGL-HNFVBEJKSA-N 1 0 255.402 2.284 10 0 CEAERO CC(C)n1ncnc1CC(=O)[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000091650355 180216001 /nfs/dbraw/zinc/21/60/01/180216001.db2.gz KBTRUXLUPRPDQV-XJKSGUPXSA-N 1 0 292.427 2.481 10 0 CEAERO CC1CCC([C@@H](O)c2cccnc2N)([NH+](C)C)CC1 ZINC000091648492 180216131 /nfs/dbraw/zinc/21/61/31/180216131.db2.gz CLALNXMAPBGRND-QRJNDHJOSA-N 1 0 263.385 2.208 10 0 CEAERO C[NH+](C)C1([C@@H](N)Cc2ccnc(N)c2)CCCCCC1 ZINC000091654076 180217468 /nfs/dbraw/zinc/21/74/68/180217468.db2.gz OKRAGQWEGYOCNY-AWEZNQCLSA-N 1 0 276.428 2.188 10 0 CEAERO [NH3+]C1C[C@H]2C[C@@H](C1)CN(C(=O)OCc1ccccc1)C2 ZINC000091675877 180225263 /nfs/dbraw/zinc/22/52/63/180225263.db2.gz NCZJCWNPMPPTQN-YIONKMFJSA-N 1 0 274.364 2.382 10 0 CEAERO CC(C)(C)OC(=O)Nc1cccc(CC2C[NH2+]C2)n1 ZINC000091692603 180228330 /nfs/dbraw/zinc/22/83/30/180228330.db2.gz FYXZVHIVADPSRB-UHFFFAOYSA-N 1 0 263.341 2.191 10 0 CEAERO CC[NH+](CC)CC[C@@H](O)Cc1ccccc1OC ZINC000091714441 180231524 /nfs/dbraw/zinc/23/15/24/180231524.db2.gz RTZGQJONIFVBQP-CQSZACIVSA-N 1 0 251.370 2.331 10 0 CEAERO CCc1ccc(CC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)s1 ZINC000091714180 180231772 /nfs/dbraw/zinc/23/17/72/180231772.db2.gz PTLDHHCSFWUTBS-ABAIWWIYSA-N 1 0 279.405 2.285 10 0 CEAERO C[NH2+][C@H](Cc1ccc(C(C)(C)C)cc1)[C@H]1CN(C)CCO1 ZINC000091717570 180232691 /nfs/dbraw/zinc/23/26/91/180232691.db2.gz VRXRXKGGUKUPRT-IAGOWNOFSA-N 1 0 290.451 2.445 10 0 CEAERO CC[NH2+][C@H](c1cc(Cl)ccc1OC)[C@H]1CN(C)CCO1 ZINC000091718709 180233165 /nfs/dbraw/zinc/23/31/65/180233165.db2.gz WMHYBEPKUKODHA-HUUCEWRRSA-N 1 0 298.814 2.330 10 0 CEAERO CC[NH2+][C@H](C[C@H]1Cc2ccccc21)[C@@H]1CN(C)CCO1 ZINC000091718401 180233626 /nfs/dbraw/zinc/23/36/26/180233626.db2.gz DQACFDRBVRDCLJ-OIISXLGYSA-N 1 0 274.408 2.025 10 0 CEAERO CC[NH2+][C@H](c1ccc(F)c(F)c1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721829 180239633 /nfs/dbraw/zinc/23/96/33/180239633.db2.gz PMVKATOJQIWMPO-UHOFOFEASA-N 1 0 296.361 2.479 10 0 CEAERO CCC[NH2+][C@H](c1cccc(F)c1)[C@H]1CN(C)CCO1 ZINC000091719265 180234515 /nfs/dbraw/zinc/23/45/15/180234515.db2.gz FGKYVKMLMMOBAU-HUUCEWRRSA-N 1 0 266.360 2.197 10 0 CEAERO CN[C@H](c1cc(F)ccc1F)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720896 180235716 /nfs/dbraw/zinc/23/57/16/180235716.db2.gz RZHINWOJJSCNRF-KCPJHIHWSA-N 1 0 282.334 2.089 10 0 CEAERO CCC[NH2+][C@@H](CN(C)C)c1ccc(OC)c(F)c1 ZINC000091720124 180236332 /nfs/dbraw/zinc/23/63/32/180236332.db2.gz HJGKDTUSFUCTCN-ZDUSSCGKSA-N 1 0 254.349 2.437 10 0 CEAERO CC(C)(C)C1CCC([NH2+][C@@H]2CCOC[C@@H]2O)CC1 ZINC000624234950 350238677 /nfs/dbraw/zinc/23/86/77/350238677.db2.gz ABMCYPPWVYLKAR-PQAZSJQKSA-N 1 0 255.402 2.331 10 0 CEAERO C[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1cnc2ccsc2c1 ZINC000624237181 350240292 /nfs/dbraw/zinc/24/02/92/350240292.db2.gz RGAPCCOLUXIYMZ-XHVZSJERSA-N 1 0 278.377 2.097 10 0 CEAERO CCc1ccc(C(=O)N2[C@@H](C)CCC[C@H]2C[NH3+])o1 ZINC000091762770 180248205 /nfs/dbraw/zinc/24/82/05/180248205.db2.gz UULNGINQSWAMJG-QWRGUYRKSA-N 1 0 250.342 2.184 10 0 CEAERO CCc1ccc(C(=O)N2CCC(CC[NH3+])CC2)o1 ZINC000091762819 180248335 /nfs/dbraw/zinc/24/83/35/180248335.db2.gz JZCMQSJINMQJMI-UHFFFAOYSA-N 1 0 250.342 2.043 10 0 CEAERO CCc1ccc(C(=O)Nc2cnn(C3CC[NH2+]CC3)c2)o1 ZINC000091762842 180248348 /nfs/dbraw/zinc/24/83/48/180248348.db2.gz WBVIJNWQIYSJMU-UHFFFAOYSA-N 1 0 288.351 2.215 10 0 CEAERO CC[C@@H](C)N1C(=O)C[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2C)C1=O ZINC000105500688 186062092 /nfs/dbraw/zinc/06/20/92/186062092.db2.gz CPTKNIQRMZLUDJ-CRWXNKLISA-N 1 0 280.412 2.328 10 0 CEAERO CCc1ccc(C(=O)N2CCC[C@@H]2CCC[NH3+])o1 ZINC000091777324 180251571 /nfs/dbraw/zinc/25/15/71/180251571.db2.gz OXGYPTNRDCHJSB-NSHDSACASA-N 1 0 250.342 2.186 10 0 CEAERO C[NH2+][C@H](C)c1cccn1Cc1nc2ccccc2c(=O)[nH]1 ZINC000091801207 180259056 /nfs/dbraw/zinc/25/90/56/180259056.db2.gz VXCGVRDIVKSIPG-LLVKDONJSA-N 1 0 282.347 2.053 10 0 CEAERO CC(C)C[NH2+]Cc1cnc([C@H]2CN3CCC[C@@H]3CO2)s1 ZINC000091723184 180242011 /nfs/dbraw/zinc/24/20/11/180242011.db2.gz MLRXBCORFBBKAG-TZMCWYRMSA-N 1 0 295.452 2.424 10 0 CEAERO OC[C@H]1CCC[N@@H+]1C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000091736019 180242925 /nfs/dbraw/zinc/24/29/25/180242925.db2.gz NGUYNGPWHQUDGP-KGLIPLIRSA-N 1 0 294.782 2.290 10 0 CEAERO CCc1oc2ccccc2c1C[NH2+]C[C@H]1CN(C)CCO1 ZINC000105471615 186058599 /nfs/dbraw/zinc/05/85/99/186058599.db2.gz JDIDDXPPTHKCBQ-ZDUSSCGKSA-N 1 0 288.391 2.415 10 0 CEAERO CCCc1nnsc1C(=O)N(CC)C1CCC([NH3+])CC1 ZINC000091850276 180272549 /nfs/dbraw/zinc/27/25/49/180272549.db2.gz KIQZFPLWODYXCY-UHFFFAOYSA-N 1 0 296.440 2.223 10 0 CEAERO CCCN(C(=O)c1ccc(C)n1C)C1CCC([NH3+])CC1 ZINC000091852115 180273164 /nfs/dbraw/zinc/27/31/64/180273164.db2.gz OOADGZAVHLOTMI-UHFFFAOYSA-N 1 0 277.412 2.456 10 0 CEAERO C[N@H+](C[C@@H]1Cc2ccccc2O1)C1CCC(=O)CC1 ZINC000091854045 180273684 /nfs/dbraw/zinc/27/36/84/180273684.db2.gz VHRISXKREGWMFS-HNNXBMFYSA-N 1 0 259.349 2.434 10 0 CEAERO CCC[NH2+][C@@H](C)c1cccn1CC(=O)N[C@H](C)CC ZINC000091802477 180259929 /nfs/dbraw/zinc/25/99/29/180259929.db2.gz UESRINOSWOIKJN-OLZOCXBDSA-N 1 0 265.401 2.463 10 0 CEAERO CCC[NH2+][C@H](C)c1cccn1CC(=O)N1CCCC1 ZINC000091802791 180260062 /nfs/dbraw/zinc/26/00/62/180260062.db2.gz HMADRMJNROLYSU-CYBMUJFWSA-N 1 0 263.385 2.171 10 0 CEAERO CCC(CC)NC(=O)Cn1ccc([C@H](C)[NH2+]C)c1 ZINC000091804624 180260199 /nfs/dbraw/zinc/26/01/99/180260199.db2.gz XLCSPXDLIUQIIF-NSHDSACASA-N 1 0 251.374 2.073 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccn(CC(=O)N[C@H](C)CC)c1 ZINC000091805931 180260384 /nfs/dbraw/zinc/26/03/84/180260384.db2.gz GBQSLCZLVPFBPB-OLZOCXBDSA-N 1 0 265.401 2.463 10 0 CEAERO CCC[NH2+][C@H](CC)c1ccn(CC(=O)N(C)CC)c1 ZINC000091818132 180263266 /nfs/dbraw/zinc/26/32/66/180263266.db2.gz ZWRDMUUKRHHNBI-CQSZACIVSA-N 1 0 265.401 2.417 10 0 CEAERO CCC[C@H]([NH3+])c1ccn(CC(=O)N[C@@H](C)CC)c1 ZINC000091820728 180264138 /nfs/dbraw/zinc/26/41/38/180264138.db2.gz RZKMSXNTQRIGFX-AAEUAGOBSA-N 1 0 251.374 2.203 10 0 CEAERO CCC[NH2+][C@H](CCC)c1ccn(C[C@@H](C)C(N)=O)c1 ZINC000091823460 180264202 /nfs/dbraw/zinc/26/42/02/180264202.db2.gz UZSASKPLLGMMEF-TZMCWYRMSA-N 1 0 265.401 2.450 10 0 CEAERO C[NH2+][C@H](c1ccn(CC(=O)NCC(C)C)c1)C(C)C ZINC000091827246 180264416 /nfs/dbraw/zinc/26/44/16/180264416.db2.gz AHFOKYYBDQWNAI-HNNXBMFYSA-N 1 0 265.401 2.177 10 0 CEAERO CCCCOC(=O)Cn1ccc([C@@H]([NH3+])C(C)C)c1 ZINC000091825726 180265092 /nfs/dbraw/zinc/26/50/92/180265092.db2.gz NSYJEERSUOJBPM-AWEZNQCLSA-N 1 0 252.358 2.487 10 0 CEAERO CCC[NH2+][C@@H](c1ccn(CCOCCO)c1)C(C)C ZINC000091828435 180265703 /nfs/dbraw/zinc/26/57/03/180265703.db2.gz IRYDXRXVBPYFAA-OAHLLOKOSA-N 1 0 268.401 2.194 10 0 CEAERO CCN(C(=O)/C=C/c1ccco1)C1CCC([NH3+])CC1 ZINC000091850431 180272296 /nfs/dbraw/zinc/27/22/96/180272296.db2.gz IYOTUKHERKGCHE-MDZDMXLPSA-N 1 0 262.353 2.411 10 0 CEAERO CC1CCC(C[NH3+])([C@@H](O)c2cncn2C2CC2)CC1 ZINC000091926648 180287535 /nfs/dbraw/zinc/28/75/35/180287535.db2.gz KMRFHZGCRCNSIE-WPBUFGDCSA-N 1 0 263.385 2.407 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](c2nc3ccc(F)cc3s2)C1 ZINC000091939639 180289042 /nfs/dbraw/zinc/28/90/42/180289042.db2.gz GMYGYEIFAXETHE-PSASIEDQSA-N 1 0 252.314 2.485 10 0 CEAERO CC[NH2+]Cc1ncoc1-c1cc(OC)c(OC)cc1OC ZINC000091957877 180292155 /nfs/dbraw/zinc/29/21/55/180292155.db2.gz QDGLRIKFJZAWDV-UHFFFAOYSA-N 1 0 292.335 2.477 10 0 CEAERO CCN(C(=O)N1CCCC1)C1(C[NH3+])CCCCC1 ZINC000091963084 180293168 /nfs/dbraw/zinc/29/31/68/180293168.db2.gz SVTLJARSKJWJFM-UHFFFAOYSA-N 1 0 253.390 2.186 10 0 CEAERO CCC1CCC(NC(=O)N(CC)CC)(C(N)=[NH2+])CC1 ZINC000091962658 180293250 /nfs/dbraw/zinc/29/32/50/180293250.db2.gz UUOOEXFIJDFLKZ-UHFFFAOYSA-N 1 0 268.405 2.313 10 0 CEAERO CC[NH2+]C1CCC(N(C)C(=O)N2CCCC2)CC1 ZINC000091962710 180293302 /nfs/dbraw/zinc/29/33/02/180293302.db2.gz LDFLZBQNNZLZGM-UHFFFAOYSA-N 1 0 253.390 2.055 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)NC2CCCCC2)CC1 ZINC000091869833 180277014 /nfs/dbraw/zinc/27/70/14/180277014.db2.gz BUHWVLWWBYXWBZ-UHFFFAOYSA-N 1 0 267.417 2.491 10 0 CEAERO CCCN(C(=O)N1CCOCC1)[C@]1(C[NH3+])CCC[C@H](C)C1 ZINC000091970132 180295033 /nfs/dbraw/zinc/29/50/33/180295033.db2.gz UUKXQASGSHLGIH-GOEBONIOSA-N 1 0 297.443 2.058 10 0 CEAERO Cc1ccc([C@@H](O)C2(C[NH3+])Cc3ccccc3C2)o1 ZINC000091909202 180284672 /nfs/dbraw/zinc/28/46/72/180284672.db2.gz MYGLEHGKPNZMLU-OAHLLOKOSA-N 1 0 257.333 2.365 10 0 CEAERO [NH3+]C[C@]1([C@@H](O)c2ccncc2)CCc2ccccc2C1 ZINC000091909578 180284729 /nfs/dbraw/zinc/28/47/29/180284729.db2.gz VTLFSAWXEXBMCP-IRXDYDNUSA-N 1 0 268.360 2.249 10 0 CEAERO CC[C@@](C)(C[NH3+])[C@H](O)c1cc(OC)ccc1OC ZINC000091908839 180284875 /nfs/dbraw/zinc/28/48/75/180284875.db2.gz AENOJZPBFIPARJ-KGLIPLIRSA-N 1 0 253.342 2.112 10 0 CEAERO [NH3+]C[C@]1([C@H](O)c2ccccn2)CCCc2ccccc21 ZINC000091910170 180285105 /nfs/dbraw/zinc/28/51/05/180285105.db2.gz SDJZKGGFOBEDQY-IAGOWNOFSA-N 1 0 268.360 2.348 10 0 CEAERO CCC(CC)[C@@H](O)[C@]1(C[NH3+])COc2ccccc2C1 ZINC000091911274 180285112 /nfs/dbraw/zinc/28/51/12/180285112.db2.gz ZDQWQJZNZCLHJB-HZPDHXFCSA-N 1 0 263.381 2.364 10 0 CEAERO CCCn1cncc1[C@@H](O)C1(C[NH3+])CCCCC1 ZINC000091926343 180287092 /nfs/dbraw/zinc/28/70/92/180287092.db2.gz JIRPVKRJSQJBMA-CYBMUJFWSA-N 1 0 251.374 2.236 10 0 CEAERO CCN1CCO[C@@H](COc2ccc(CC[C@@H](C)[NH3+])cc2)C1 ZINC000092050966 180312076 /nfs/dbraw/zinc/31/20/76/180312076.db2.gz YGITWIMOLNRMAW-RHSMWYFYSA-N 1 0 292.423 2.066 10 0 CEAERO CCN1CCO[C@H](COc2cc(C)ccc2[C@@H](C)[NH3+])C1 ZINC000092051358 180312821 /nfs/dbraw/zinc/31/28/21/180312821.db2.gz ZECCQYXKKPVWRR-KGLIPLIRSA-N 1 0 278.396 2.114 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]CC2CCC(C)CC2)C1 ZINC000092052765 180312907 /nfs/dbraw/zinc/31/29/07/180312907.db2.gz CYHZZSCZQCBZGT-NRXISQOPSA-N 1 0 254.418 2.123 10 0 CEAERO CCC[N@H+](C[C@H]1CN(CC)CCO1)C1(CN)CCCCC1 ZINC000092051547 180313189 /nfs/dbraw/zinc/31/31/89/180313189.db2.gz KVYIXSGBLPAKRC-MRXNPFEDSA-N 1 0 297.487 2.081 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H](C)c2ccc(C)s2)C1 ZINC000092052356 180313235 /nfs/dbraw/zinc/31/32/35/180313235.db2.gz OSOZJJNYHYOWBG-QWHCGFSZSA-N 1 0 268.426 2.428 10 0 CEAERO C[C@H]1CCC[C@H](C[NH3+])N1C(=O)N1CCCCCC1 ZINC000091971650 180295547 /nfs/dbraw/zinc/29/55/47/180295547.db2.gz YNBPIEGUIXBAFX-QWHCGFSZSA-N 1 0 253.390 2.184 10 0 CEAERO O=C(N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)N1CCCCCC1 ZINC000091971572 180295631 /nfs/dbraw/zinc/29/56/31/180295631.db2.gz KIDDXIVNPXTQOS-HUUCEWRRSA-N 1 0 279.428 2.446 10 0 CEAERO CC1CCN(C(=O)Nc2ccccc2OCC[NH3+])CC1 ZINC000091972605 180295896 /nfs/dbraw/zinc/29/58/96/180295896.db2.gz XYSKDYQNWNMOFW-UHFFFAOYSA-N 1 0 277.368 2.288 10 0 CEAERO CCN(C)C(=O)N(CCC[NH3+])c1cccc(F)c1 ZINC000091972563 180296057 /nfs/dbraw/zinc/29/60/57/180296057.db2.gz IQBOPHDQJZKWTL-UHFFFAOYSA-N 1 0 253.321 2.053 10 0 CEAERO C[C@H]1CCCN(C(=O)Nc2cccc(F)c2C(N)=[NH2+])C1 ZINC000091993310 180300592 /nfs/dbraw/zinc/30/05/92/180300592.db2.gz JZLCXPKIBNAAEK-VIFPVBQESA-N 1 0 278.331 2.374 10 0 CEAERO C[C@@H]1CCCN(C(=O)N2CCC[C@H]2CCC[NH3+])C1 ZINC000091993194 180300662 /nfs/dbraw/zinc/30/06/62/180300662.db2.gz BYOFQFAMPJRBIU-CHWSQXEVSA-N 1 0 253.390 2.042 10 0 CEAERO CCC[C@H](C)NC(=O)COc1ccc(C)nc1C[NH2+]CC ZINC000091994948 180300791 /nfs/dbraw/zinc/30/07/91/180300791.db2.gz RAVRMDISRGRSLL-LBPRGKRZSA-N 1 0 293.411 2.183 10 0 CEAERO Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2)c(C[NH3+])n1 ZINC000091993587 180301056 /nfs/dbraw/zinc/30/10/56/180301056.db2.gz TVYOGSJPZGTGCF-LBPRGKRZSA-N 1 0 285.347 2.255 10 0 CEAERO C[NH2+]Cc1nc(C)ccc1OCc1ncc(Cl)n1C ZINC000091994228 180301469 /nfs/dbraw/zinc/30/14/69/180301469.db2.gz GTHOQNLKCIMYNW-UHFFFAOYSA-N 1 0 280.759 2.075 10 0 CEAERO CC[C@H](O)COc1ccc(C)nc1C[NH2+]CC(C)C ZINC000091996385 180302140 /nfs/dbraw/zinc/30/21/40/180302140.db2.gz JWYIKDMPGYTPJO-ZDUSSCGKSA-N 1 0 266.385 2.285 10 0 CEAERO COC(=O)CCCOc1ccc(C)nc1C[NH2+]CC(C)C ZINC000091996312 180302417 /nfs/dbraw/zinc/30/24/17/180302417.db2.gz FTBQDGFPFOTDTO-UHFFFAOYSA-N 1 0 294.395 2.468 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000092133180 180330737 /nfs/dbraw/zinc/33/07/37/180330737.db2.gz NYYCXLZGBURDHE-SMDDNHRTSA-N 1 0 266.360 2.495 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)Nc1ccc(-c2coc(C)n2)cc1 ZINC000092133366 180331287 /nfs/dbraw/zinc/33/12/87/180331287.db2.gz PCNRPXPAHSGBEN-SNVBAGLBSA-N 1 0 273.336 2.444 10 0 CEAERO CC(C)(C)OCC[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105805913 186072279 /nfs/dbraw/zinc/07/22/79/186072279.db2.gz YQGSWOQZZOPKMU-UHFFFAOYSA-N 1 0 278.400 2.168 10 0 CEAERO C[NH2+][C@@H](c1cc(OC)ccc1OC)C(C)(C)OC ZINC000092139129 180333755 /nfs/dbraw/zinc/33/37/55/180333755.db2.gz CEILKLMJZHSSQW-ZDUSSCGKSA-N 1 0 253.342 2.389 10 0 CEAERO CC[NH2+]CCc1c(C)nc(C(C)(C)OC)nc1C ZINC000092141001 180333775 /nfs/dbraw/zinc/33/37/75/180333775.db2.gz HLTWDDRFEUQFBG-UHFFFAOYSA-N 1 0 251.374 2.127 10 0 CEAERO CCC[NH2+][C@H](Cc1cnn(CC)c1)C(C)(C)OC ZINC000092140144 180333810 /nfs/dbraw/zinc/33/38/10/180333810.db2.gz JIYIQSBJGKETME-CYBMUJFWSA-N 1 0 253.390 2.239 10 0 CEAERO CCc1nn(C)c(C[C@H]([NH2+]C)C(C)(C)OC)c1Cl ZINC000092138907 180333910 /nfs/dbraw/zinc/33/39/10/180333910.db2.gz JMUABNITQHHTCS-NSHDSACASA-N 1 0 273.808 2.191 10 0 CEAERO C[C@@H](C(=O)Nc1ccc(F)c(N)c1)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000092081147 180319584 /nfs/dbraw/zinc/31/95/84/180319584.db2.gz XYZJHIQJCVBFCH-AXFHLTTASA-N 1 0 279.359 2.323 10 0 CEAERO Cc1nn(C)c(N2C[C@@H](C)[C@H](C)C2)c1C[NH2+]C1CC1 ZINC000092086719 180320522 /nfs/dbraw/zinc/32/05/22/180320522.db2.gz CLVYUHLTWSZSES-GHMZBOCLSA-N 1 0 262.401 2.073 10 0 CEAERO CC(C)C[NH2+]Cc1cncc(N2C[C@H](C)[C@@H](C)C2)n1 ZINC000092089049 180321440 /nfs/dbraw/zinc/32/14/40/180321440.db2.gz CJRHJBKKNKNFRL-STQMWFEESA-N 1 0 262.401 2.314 10 0 CEAERO OCC[C@H]1CCC[N@H+](C[C@@H]2COc3ccccc32)C1 ZINC000092305733 180360791 /nfs/dbraw/zinc/36/07/91/180360791.db2.gz RIIKYWDKDHYWSE-ZIAGYGMSSA-N 1 0 261.365 2.257 10 0 CEAERO COc1cc(Cl)c(C)cc1NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092201184 180342399 /nfs/dbraw/zinc/34/23/99/180342399.db2.gz UBCGKLADLURUBV-NXEZZACHSA-N 1 0 280.755 2.499 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)Nc2ccc(OC(F)F)cc2)C1 ZINC000092201874 180342740 /nfs/dbraw/zinc/34/27/40/180342740.db2.gz NLHUOANNAHEINS-DTWKUNHWSA-N 1 0 268.263 2.130 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)Nc2ccccc2OC(F)F)C1 ZINC000092201878 180343077 /nfs/dbraw/zinc/34/30/77/180343077.db2.gz SRVMULAFKNXWTN-DTWKUNHWSA-N 1 0 268.263 2.130 10 0 CEAERO COc1cc(Cl)c(NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)cc1OC ZINC000092203150 180343307 /nfs/dbraw/zinc/34/33/07/180343307.db2.gz JPTHEHMDFUVTTQ-RKDXNWHRSA-N 1 0 296.754 2.199 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)N[C@@H](c2ccco2)c2ccccc2)C1 ZINC000092203390 180343341 /nfs/dbraw/zinc/34/33/41/180343341.db2.gz NLLSWFYGKDCHIP-IIAWOOMASA-N 1 0 282.343 2.389 10 0 CEAERO C[C@H](Cc1cccc(Cl)c1)NC(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092203018 180343355 /nfs/dbraw/zinc/34/33/55/180343355.db2.gz BVWBNQAMWSOLPE-SCDSUCTJSA-N 1 0 278.783 2.291 10 0 CEAERO CCc1nc2cc(NC(=O)[C@@H]3C=C[C@H]([NH3+])C3)ccc2o1 ZINC000092204312 180343758 /nfs/dbraw/zinc/34/37/58/180343758.db2.gz XCNPLIVTADCUCH-ZJUUUORDSA-N 1 0 271.320 2.232 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)N2CCC3(CCCCC3)CC2)C1 ZINC000092207452 180344174 /nfs/dbraw/zinc/34/41/74/180344174.db2.gz CTIADAYEZFZKRY-KGLIPLIRSA-N 1 0 262.397 2.463 10 0 CEAERO CCC1CCC(CNC(=O)[C@H]2C=C[C@H]([NH3+])C2)CC1 ZINC000092205759 180344232 /nfs/dbraw/zinc/34/42/32/180344232.db2.gz YBHLELJXIHOFCJ-HOAMVYINSA-N 1 0 250.386 2.222 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)N(Cc2ccsc2)C2CC2)C1 ZINC000092206236 180344357 /nfs/dbraw/zinc/34/43/57/180344357.db2.gz VGURZIMLIOZCKP-RYUDHWBXSA-N 1 0 262.378 2.143 10 0 CEAERO CC(C)c1csc(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)n1 ZINC000092206936 180344367 /nfs/dbraw/zinc/34/43/67/180344367.db2.gz ZHXPNVWATWMPPZ-BDAKNGLRSA-N 1 0 251.355 2.108 10 0 CEAERO Cc1ccc(C[C@H](C)NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)s1 ZINC000092208019 180344636 /nfs/dbraw/zinc/34/46/36/180344636.db2.gz FQSAQSVUFHWLNC-MVWJERBFSA-N 1 0 264.394 2.007 10 0 CEAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1Cc2ccccc2S1 ZINC000092231820 180348237 /nfs/dbraw/zinc/34/82/37/180348237.db2.gz ADXYAEJTPDVHQL-RLCAUIQDSA-N 1 0 288.416 2.103 10 0 CEAERO CSc1ccccc1C(=O)N1CC[C@@H](C)[C@H]([NH3+])C1 ZINC000092232209 180348759 /nfs/dbraw/zinc/34/87/59/180348759.db2.gz FKFHXBWLEGQGPM-ZYHUDNBSSA-N 1 0 264.394 2.218 10 0 CEAERO c1cn(CC[NH2+]C[C@H]2Cc3ccccc3S2)cn1 ZINC000092243077 180351746 /nfs/dbraw/zinc/35/17/46/180351746.db2.gz BCMBWGIJWBDVSE-CYBMUJFWSA-N 1 0 259.378 2.190 10 0 CEAERO c1ccc2c(c1)C[C@@H](C[NH2+]CCCN1CCOCC1)S2 ZINC000092242467 180351864 /nfs/dbraw/zinc/35/18/64/180351864.db2.gz ROMXVQDOBNCBRD-HNNXBMFYSA-N 1 0 292.448 2.015 10 0 CEAERO C[C@@H]1CN(C[C@@H]2Cc3ccccc3S2)[C@@H](C)C[NH2+]1 ZINC000092267907 180355577 /nfs/dbraw/zinc/35/55/77/180355577.db2.gz ZCLHSNJABWOMFL-DYEKYZERSA-N 1 0 262.422 2.386 10 0 CEAERO [NH3+]C[C@H](CCSc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000092270403 180355946 /nfs/dbraw/zinc/35/59/46/180355946.db2.gz GJXPCDNXYQEKJE-QWHCGFSZSA-N 1 0 299.461 2.178 10 0 CEAERO COC(=O)CC[NH2+]C[C@@H]1CSc2ccccc21 ZINC000092274936 180356407 /nfs/dbraw/zinc/35/64/07/180356407.db2.gz DZGKRWULFMPWLA-SNVBAGLBSA-N 1 0 251.351 2.029 10 0 CEAERO CC1(C)CN(C[C@H]2Cc3ccccc3S2)CC[NH2+]1 ZINC000092272646 180356460 /nfs/dbraw/zinc/35/64/60/180356460.db2.gz WZICLDFVOJSLOB-CYBMUJFWSA-N 1 0 262.422 2.387 10 0 CEAERO c1ccc2c(c1)C[C@H](CN1CC[NH2+][C@H](C3CC3)C1)S2 ZINC000092272633 180356678 /nfs/dbraw/zinc/35/66/78/180356678.db2.gz AKXAFRNKEGTVLQ-CABCVRRESA-N 1 0 274.433 2.387 10 0 CEAERO c1ccc2c(c1)OC[C@H]2C[NH2+]CCc1cccnc1 ZINC000092299718 180358677 /nfs/dbraw/zinc/35/86/77/180358677.db2.gz SYDUPIPPVNGDBD-CQSZACIVSA-N 1 0 254.333 2.390 10 0 CEAERO CCN1CCC[C@H]1C[NH2+]C[C@@H]1COc2ccccc21 ZINC000092299358 180358885 /nfs/dbraw/zinc/35/88/85/180358885.db2.gz SPEIRVXMIUJALG-KGLIPLIRSA-N 1 0 260.381 2.237 10 0 CEAERO c1cc(C[NH2+]C2CC2)n(C[C@@H]2COc3ccccc32)n1 ZINC000092306718 180360573 /nfs/dbraw/zinc/36/05/73/180360573.db2.gz LRSBXSHFPQIOJG-GFCCVEGCSA-N 1 0 269.348 2.311 10 0 CEAERO CC[N@H+](CCC(N)=S)C[C@@H]1COc2ccccc21 ZINC000092301752 180359374 /nfs/dbraw/zinc/35/93/74/180359374.db2.gz XWONAYKHMIARAR-LLVKDONJSA-N 1 0 264.394 2.161 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](c2nc(Cc3cccc(F)c3)no2)C1 ZINC000092181517 180338134 /nfs/dbraw/zinc/33/81/34/180338134.db2.gz CNOULLRYWDXHOV-CMPLNLGQSA-N 1 0 259.284 2.170 10 0 CEAERO CC[NH2+][C@@H](CN1C(=O)C[C@H](C)C1=O)c1ccc(C)cc1C ZINC000105832577 186075282 /nfs/dbraw/zinc/07/52/82/186075282.db2.gz LBHSNNSPSXNVOQ-ZFWWWQNUSA-N 1 0 288.391 2.349 10 0 CEAERO Cc1ccccc1Cc1noc([C@H]2C=C[C@H]([NH3+])C2)n1 ZINC000092181611 180339041 /nfs/dbraw/zinc/33/90/41/180339041.db2.gz XWAUBVVXDPPDPA-STQMWFEESA-N 1 0 255.321 2.340 10 0 CEAERO CCC[NH2+][C@@H](CN1C(=O)C[C@H](C)C1=O)c1ccccc1 ZINC000105832457 186075733 /nfs/dbraw/zinc/07/57/33/186075733.db2.gz LSHTXSPEPQENTE-JSGCOSHPSA-N 1 0 274.364 2.122 10 0 CEAERO CC[N@@H+]1CCC[C@H](NCc2c(C)noc2C)CC1 ZINC000092329669 180363614 /nfs/dbraw/zinc/36/36/14/180363614.db2.gz ZQZRZJVCVNBWTR-ZDUSSCGKSA-N 1 0 251.374 2.255 10 0 CEAERO COCC[N@@H+]1CCN(Cc2ccccc2Cl)C[C@@H]1C ZINC000106110295 186102885 /nfs/dbraw/zinc/10/28/85/186102885.db2.gz CXCMSKNGQIKAKA-ZDUSSCGKSA-N 1 0 282.815 2.493 10 0 CEAERO Cc1noc(C)c1CN1CCC[NH2+][C@@](C)(C2CC2)C1 ZINC000092342612 180366670 /nfs/dbraw/zinc/36/66/70/180366670.db2.gz LZLSVYPCHCWVFE-OAHLLOKOSA-N 1 0 263.385 2.255 10 0 CEAERO C[C@H]1CCC[C@@H](C[NH3+])N1Cc1cccc(Cl)n1 ZINC000092366800 180369004 /nfs/dbraw/zinc/36/90/04/180369004.db2.gz DGFAZOLZRBBHRZ-JQWIXIFHSA-N 1 0 253.777 2.437 10 0 CEAERO Clc1cccc(CN2CCC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000092366724 180369100 /nfs/dbraw/zinc/36/91/00/180369100.db2.gz BFOZDCWIJNZNTA-QWHCGFSZSA-N 1 0 265.788 2.451 10 0 CEAERO Cc1ccc(CN(C)Cc2cccc(NN)[nH+]2)cc1 ZINC000092370074 180369731 /nfs/dbraw/zinc/36/97/31/180369731.db2.gz LTTSQVJZNXVPPH-UHFFFAOYSA-N 1 0 256.353 2.308 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C[C@H](O)c1ccc(F)cc1 ZINC000106379275 186111230 /nfs/dbraw/zinc/11/12/30/186111230.db2.gz JBKZQXICHYUHQS-HOTGVXAUSA-N 1 0 280.387 2.275 10 0 CEAERO CCNc1cccc(CN2CCC[C@H]2C[NH+](C)C)n1 ZINC000092370291 180370008 /nfs/dbraw/zinc/37/00/08/180370008.db2.gz QJOPRJXFGCFRNC-AWEZNQCLSA-N 1 0 262.401 2.039 10 0 CEAERO NNc1cccc(CN2c3ccccc3CCCC2=O)[nH+]1 ZINC000092370892 180370216 /nfs/dbraw/zinc/37/02/16/180370216.db2.gz XOURGTPRMHQPHD-UHFFFAOYSA-N 1 0 282.347 2.237 10 0 CEAERO CCNc1cccc(CN2CCC([NH+](C)C)CC2)n1 ZINC000092368409 180370283 /nfs/dbraw/zinc/37/02/83/180370283.db2.gz GEGRKACVNAIATM-UHFFFAOYSA-N 1 0 262.401 2.039 10 0 CEAERO O[C@H](C[NH+]1CCC(Cn2cccn2)CC1)c1ccccc1 ZINC000105886666 186084331 /nfs/dbraw/zinc/08/43/31/186084331.db2.gz HLOSITRQQUXATH-QGZVFWFLSA-N 1 0 285.391 2.329 10 0 CEAERO CC[N@H+](CCOC)[C@@H]1CCc2ccc(OC)cc2[C@@H]1O ZINC000092387863 180374597 /nfs/dbraw/zinc/37/45/97/180374597.db2.gz RLKXSAKAUYWCAD-CVEARBPZSA-N 1 0 279.380 2.012 10 0 CEAERO COC(=O)C[C@]1([C@H](C)[NH3+])CCCc2ccc(OC)cc21 ZINC000092390625 180375598 /nfs/dbraw/zinc/37/55/98/180375598.db2.gz BCXWPTUMOKHJRR-ZBEGNZNMSA-N 1 0 277.364 2.180 10 0 CEAERO CC(C)[C@H](CO)[NH2+]C[C@@H]1CSc2ccccc21 ZINC000092395063 180376632 /nfs/dbraw/zinc/37/66/32/180376632.db2.gz SCGNYSKTZSDESH-YPMHNXCESA-N 1 0 251.395 2.482 10 0 CEAERO CN(Cc1cccnc1)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106901196 186148723 /nfs/dbraw/zinc/14/87/23/186148723.db2.gz BKVMSVSGUFQAAM-QGZVFWFLSA-N 1 0 297.402 2.213 10 0 CEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1Cc1cc(Cl)ccn1 ZINC000092417394 180381142 /nfs/dbraw/zinc/38/11/42/180381142.db2.gz ZSBHVMKWNMMUCF-DDTOSNHZSA-N 1 0 265.788 2.165 10 0 CEAERO COc1ccc2c(c1)[C@@H]([NH2+]CCc1nnc[nH]1)CCC2 ZINC000092384201 180373693 /nfs/dbraw/zinc/37/36/93/180373693.db2.gz IJLRSKWCODVTTA-AWEZNQCLSA-N 1 0 272.352 2.023 10 0 CEAERO COc1ccc(-c2cn3c(n2)[C@H](C)C[C@H]([NH3+])C3)cc1 ZINC000107827621 186194097 /nfs/dbraw/zinc/19/40/97/186194097.db2.gz NOXGJMYEZJTFPH-PWSUYJOCSA-N 1 0 257.337 2.393 10 0 CEAERO Cc1ccccc1OCC[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000107925238 186198040 /nfs/dbraw/zinc/19/80/40/186198040.db2.gz AAJUJYDAZXJEHK-YIONKMFJSA-N 1 0 261.365 2.362 10 0 CEAERO CC[N@@H+]1CC[C@H](Cn2c3ccncc3[nH]c2=S)C1 ZINC000092514350 180399797 /nfs/dbraw/zinc/39/97/97/180399797.db2.gz XLBQMEKWXXSUBU-JTQLQIEISA-N 1 0 262.382 2.436 10 0 CEAERO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)NS(C)(=O)=O)c(C)c1 ZINC000109041895 186241496 /nfs/dbraw/zinc/24/14/96/186241496.db2.gz HCSIEJZDQPVKJR-CYBMUJFWSA-N 1 0 298.452 2.282 10 0 CEAERO CCCc1cc(C)nc([C@@H](CCC)N2CC[NH2+]CC2)n1 ZINC000109476027 186255396 /nfs/dbraw/zinc/25/53/96/186255396.db2.gz DAADPROXNRMOKI-OAHLLOKOSA-N 1 0 276.428 2.484 10 0 CEAERO CCC[C@H](c1noc(-c2ccccc2)n1)N1CC[NH2+]CC1 ZINC000109475024 186255404 /nfs/dbraw/zinc/25/54/04/186255404.db2.gz ZIFQKDCREXTKPS-CQSZACIVSA-N 1 0 286.379 2.483 10 0 CEAERO CCC[C@H](Cc1nc(-c2cccnc2)no1)[NH2+]CC ZINC000109495300 186256624 /nfs/dbraw/zinc/25/66/24/186256624.db2.gz JLCIHANNNWPZKV-GFCCVEGCSA-N 1 0 260.341 2.452 10 0 CEAERO CC[NH2+][C@@H](Cc1nc(-c2cnccn2)no1)C(C)(C)C ZINC000109507144 186258333 /nfs/dbraw/zinc/25/83/33/186258333.db2.gz HBPQVOHJPUVYMY-NSHDSACASA-N 1 0 275.356 2.093 10 0 CEAERO C[NH2+]C1CCC(c2nc(Cc3ccncc3)no2)CC1 ZINC000109509183 186258637 /nfs/dbraw/zinc/25/86/37/186258637.db2.gz CRBIHHZNAPPOJA-UHFFFAOYSA-N 1 0 272.352 2.301 10 0 CEAERO CCC[NH2+][C@@H]1CCCC[C@@H]1c1nc(COC)no1 ZINC000109518924 186258825 /nfs/dbraw/zinc/25/88/25/186258825.db2.gz ZJEPUMGXONIGKQ-WDEREUQCSA-N 1 0 253.346 2.242 10 0 CEAERO CC[NH2+][C@@H]1CCCCC[C@@H]1c1nc(CCOC)no1 ZINC000109516982 186259514 /nfs/dbraw/zinc/25/95/14/186259514.db2.gz BFKGVMCHEVVYSJ-NWDGAFQWSA-N 1 0 267.373 2.284 10 0 CEAERO COc1ccc(CN[C@@H]2CC[N@@H+](C(C)C)C2)c(OC)c1 ZINC000109553938 186262931 /nfs/dbraw/zinc/26/29/31/186262931.db2.gz WUHFNBJKXQNCKQ-CQSZACIVSA-N 1 0 278.396 2.276 10 0 CEAERO CCC[NH2+][C@@H]1c2ccc(OCCCOC)cc2NC1=O ZINC000109575961 186263955 /nfs/dbraw/zinc/26/39/55/186263955.db2.gz JPCMEXWZEVAVSA-CQSZACIVSA-N 1 0 278.352 2.095 10 0 CEAERO Cc1ncn(-c2cc(C[NH3+])nc3ccccc32)c1C ZINC000109589821 186264779 /nfs/dbraw/zinc/26/47/79/186264779.db2.gz CJUUSVWFAXGGSK-UHFFFAOYSA-N 1 0 252.321 2.496 10 0 CEAERO Cc1nnc(SCc2ccc(F)cc2C[NH3+])n1C ZINC000109687129 186268955 /nfs/dbraw/zinc/26/89/55/186268955.db2.gz FNGUSBCUGOCWQV-UHFFFAOYSA-N 1 0 266.345 2.014 10 0 CEAERO CCc1cccc2c(CC(=O)N3CC[C@@H]([NH+](C)C)C3)c[nH]c21 ZINC000109272350 186247043 /nfs/dbraw/zinc/24/70/43/186247043.db2.gz HKMXIEKDXQMNLJ-OAHLLOKOSA-N 1 0 299.418 2.435 10 0 CEAERO CC[NH+](CC)[C@@H]1CCN(Cc2c(N)cccc2F)C1 ZINC000109427946 186251426 /nfs/dbraw/zinc/25/14/26/186251426.db2.gz CYKMDZZYXDCZFI-GFCCVEGCSA-N 1 0 265.376 2.324 10 0 CEAERO CC[C@H](C(N)=S)[NH+]1CCN(Cc2cccc(C)c2)CC1 ZINC000109469797 186253838 /nfs/dbraw/zinc/25/38/38/186253838.db2.gz MMARKOIBGWLALA-OAHLLOKOSA-N 1 0 291.464 2.177 10 0 CEAERO Cc1noc(C)c1C[NH2+]C[C@H](O)c1cccs1 ZINC000109463989 186253864 /nfs/dbraw/zinc/25/38/64/186253864.db2.gz FFEKYTAYDXKPOD-NSHDSACASA-N 1 0 252.339 2.176 10 0 CEAERO CC[C@@H](C(N)=S)[NH+]1CCN(Cc2ccc(C)cc2)CC1 ZINC000109469790 186253889 /nfs/dbraw/zinc/25/38/89/186253889.db2.gz XSMJQNCHTRJCCQ-HNNXBMFYSA-N 1 0 291.464 2.177 10 0 CEAERO CCCCCCN1CC[NH+]([C@@H](CC)C(N)=S)CC1 ZINC000109469898 186254288 /nfs/dbraw/zinc/25/42/88/186254288.db2.gz VDHWRPZLHAQBHN-ZDUSSCGKSA-N 1 0 271.474 2.249 10 0 CEAERO CC(C)(C[NH3+])N1CCN(c2nc3ccccc3s2)CC1 ZINC000109457098 186254441 /nfs/dbraw/zinc/25/44/41/186254441.db2.gz RSRGYFHRQDOJQT-UHFFFAOYSA-N 1 0 290.436 2.156 10 0 CEAERO CC(C)(c1noc(C2CCCCC2)n1)N1CC[NH2+]CC1 ZINC000109475327 186254583 /nfs/dbraw/zinc/25/45/83/186254583.db2.gz ZGBUUOZQHQSUGR-UHFFFAOYSA-N 1 0 278.400 2.258 10 0 CEAERO Cc1cccc(-c2nc([C@H](C)N3CC[NH2+]CC3)no2)c1C ZINC000109474044 186254740 /nfs/dbraw/zinc/25/47/40/186254740.db2.gz SMRBNBBZLGBIHV-ZDUSSCGKSA-N 1 0 286.379 2.320 10 0 CEAERO Cc1cccc(CN2CC[NH+](C(C)(C)C(N)=S)CC2)c1 ZINC000109471018 186254776 /nfs/dbraw/zinc/25/47/76/186254776.db2.gz YIDOIQGYAJVRRD-UHFFFAOYSA-N 1 0 291.464 2.177 10 0 CEAERO C[C@@H]([NH3+])C1CCN(Cc2noc(-c3cccs3)n2)CC1 ZINC000110649223 186310304 /nfs/dbraw/zinc/31/03/04/186310304.db2.gz XGCDYCDDTQSLGO-SNVBAGLBSA-N 1 0 292.408 2.357 10 0 CEAERO Cc1nnc(SCC[NH2+][C@H]2CCC[C@@H](C)C2)n1C ZINC000110250261 186288467 /nfs/dbraw/zinc/28/84/67/186288467.db2.gz TXRMYEOSRVUAHP-PWSUYJOCSA-N 1 0 268.430 2.384 10 0 CEAERO CCC[C@@H]([NH3+])Cc1nc(-c2ccccc2OC)no1 ZINC000110444821 186296186 /nfs/dbraw/zinc/29/61/86/186296186.db2.gz QVYLEBMDQBWDCK-SNVBAGLBSA-N 1 0 261.325 2.415 10 0 CEAERO NNc1[nH+]c(-c2cccnc2)nc2c1CCCCC2 ZINC000110445072 186296639 /nfs/dbraw/zinc/29/66/39/186296639.db2.gz NPCLCBGYCNAPCF-UHFFFAOYSA-N 1 0 255.325 2.093 10 0 CEAERO CC[C@H]([NH3+])[C@@H](O[C@@H]1CCOC1)c1cccc(F)c1 ZINC000110525930 186301261 /nfs/dbraw/zinc/30/12/61/186301261.db2.gz ACJTURRSBQDQFU-RDBSUJKOSA-N 1 0 253.317 2.410 10 0 CEAERO CCC[NH2+][C@H](Cc1nc(C)cs1)[C@H]1CCOC1 ZINC000110533894 186301608 /nfs/dbraw/zinc/30/16/08/186301608.db2.gz UDQXMSBOKAXCDS-NWDGAFQWSA-N 1 0 254.399 2.399 10 0 CEAERO CC[C@H]([NH3+])c1noc([C@@H]2COc3ccccc3C2)n1 ZINC000110540885 186302766 /nfs/dbraw/zinc/30/27/66/186302766.db2.gz XUUXPZNAMPUYOY-QWRGUYRKSA-N 1 0 259.309 2.198 10 0 CEAERO COc1cc(NCC2CC[NH+](C)CC2)c(N)cc1F ZINC000110627390 186306278 /nfs/dbraw/zinc/30/62/78/186306278.db2.gz SLRFOIUMUYJAPW-UHFFFAOYSA-N 1 0 267.348 2.170 10 0 CEAERO CCOc1cc(OC2CC[NH+](C)CC2)c(N)cc1F ZINC000110635213 186307866 /nfs/dbraw/zinc/30/78/66/186307866.db2.gz AMWSLTCRTUKJOJ-UHFFFAOYSA-N 1 0 268.332 2.280 10 0 CEAERO C[C@@H](Cc1ccsc1)NC(=O)C[NH2+]C(C)(C)C ZINC000110840094 186328838 /nfs/dbraw/zinc/32/88/38/186328838.db2.gz LCXRKTBFCGZSHK-JTQLQIEISA-N 1 0 254.399 2.183 10 0 CEAERO c1ccc(-c2nn[nH]c2C[NH2+]C[C@@H]2CCCCO2)cc1 ZINC000110925203 186333677 /nfs/dbraw/zinc/33/36/77/186333677.db2.gz FWQXPDHNLFSAPZ-ZDUSSCGKSA-N 1 0 272.352 2.130 10 0 CEAERO CN(CC(=O)Nc1ccc(F)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000110930342 186333901 /nfs/dbraw/zinc/33/39/01/186333901.db2.gz HOYFLDOTRWUCOA-NSHDSACASA-N 1 0 299.777 2.101 10 0 CEAERO CC(C)c1ccc(NC(=O)CN(C)[C@H]2CCC[NH2+]C2)cc1 ZINC000110931982 186334059 /nfs/dbraw/zinc/33/40/59/186334059.db2.gz IRULRTUZJURTOO-INIZCTEOSA-N 1 0 289.423 2.432 10 0 CEAERO CCN(Cc1cc(C(C)=O)ccc1OC)[C@@H]1CCC[NH2+]C1 ZINC000110945168 186335213 /nfs/dbraw/zinc/33/52/13/186335213.db2.gz ZRABNTWJMCTKQQ-MRXNPFEDSA-N 1 0 290.407 2.472 10 0 CEAERO CCN(CCC(=O)Nc1ccccc1F)[C@@H]1CCC[NH2+]C1 ZINC000110943664 186335299 /nfs/dbraw/zinc/33/52/99/186335299.db2.gz SDQZRWNMRIFOGQ-CYBMUJFWSA-N 1 0 293.386 2.228 10 0 CEAERO CCCN(CC(=O)N(C)c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000110945455 186335583 /nfs/dbraw/zinc/33/55/83/186335583.db2.gz HZJJZVFGOFYPNJ-INIZCTEOSA-N 1 0 289.423 2.113 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(C)cc1OCCC(=O)NC ZINC000110960574 186336504 /nfs/dbraw/zinc/33/65/04/186336504.db2.gz LQNBPBKVEHJZLC-GFCCVEGCSA-N 1 0 264.369 2.180 10 0 CEAERO C[NH2+][C@H](C)c1ccc(C)cc1O[C@H](C)C(=O)NC1CC1 ZINC000110959582 186337102 /nfs/dbraw/zinc/33/71/02/186337102.db2.gz QEBRMDRPAMAKPK-VXGBXAGGSA-N 1 0 276.380 2.321 10 0 CEAERO COCC[NH2+]CCCOc1ccc(SC)cc1 ZINC000110986052 186338734 /nfs/dbraw/zinc/33/87/34/186338734.db2.gz HWASFSLPIFTFRU-UHFFFAOYSA-N 1 0 255.383 2.413 10 0 CEAERO [NH3+]C[C@@H](Oc1ccccc1CO)c1ccccc1F ZINC000110992711 186340122 /nfs/dbraw/zinc/34/01/22/186340122.db2.gz HLFVVHNXALIAHS-OAHLLOKOSA-N 1 0 261.296 2.397 10 0 CEAERO CC[C@H]1CN(CCC(=O)c2ccc(F)cc2)CC[N@@H+]1C ZINC000110728753 186318201 /nfs/dbraw/zinc/31/82/01/186318201.db2.gz HWKUEELCPWKZFC-HNNXBMFYSA-N 1 0 278.371 2.425 10 0 CEAERO Cc1ccc([C@H](O)[C@@H](C)[N@@H+]2CCN(C)C(C)(C)C2)cc1 ZINC000110736502 186319295 /nfs/dbraw/zinc/31/92/95/186319295.db2.gz ZNSNNUVWUBBKBA-GDBMZVCRSA-N 1 0 276.424 2.443 10 0 CEAERO Cc1cc2c(ncnc2N(C)[C@H](C)CC[NH3+])s1 ZINC000110779082 186324212 /nfs/dbraw/zinc/32/42/12/186324212.db2.gz WZQMQAJSOOOEDT-MRVPVSSYSA-N 1 0 250.371 2.173 10 0 CEAERO CCOC(CC[N@@H+]1CCC[C@@H](OCC)C1)OCC ZINC000110785271 186324436 /nfs/dbraw/zinc/32/44/36/186324436.db2.gz FLKXEBRUFWYDSW-CYBMUJFWSA-N 1 0 259.390 2.277 10 0 CEAERO Cc1cc2c(ncnc2N(C)CC[NH2+]C(C)C)s1 ZINC000110779929 186324592 /nfs/dbraw/zinc/32/45/92/186324592.db2.gz CXXKESQXWLLYQH-UHFFFAOYSA-N 1 0 264.398 2.434 10 0 CEAERO NC(=O)c1c(Cl)cccc1NCC[C@H]1CCC[NH2+]C1 ZINC000110793494 186324934 /nfs/dbraw/zinc/32/49/34/186324934.db2.gz HUXWOEOYIGZISO-SNVBAGLBSA-N 1 0 281.787 2.241 10 0 CEAERO O[C@@H]1C[NH2+]C[C@@H]1Oc1ccc(Cl)c2ccccc12 ZINC000111060075 186349380 /nfs/dbraw/zinc/34/93/80/186349380.db2.gz FJCOIVBXUNEJJY-OCCSQVGLSA-N 1 0 263.724 2.205 10 0 CEAERO CN(Cc1cccnc1)[C@@H](C[NH3+])c1cccc(F)c1F ZINC000111039273 186346561 /nfs/dbraw/zinc/34/65/61/186346561.db2.gz DXWXHVGLVFAZJR-AWEZNQCLSA-N 1 0 277.318 2.492 10 0 CEAERO C[NH2+][C@@H](CN(C)C[C@@H]1CCCOC1)c1ccccc1OC ZINC000111160314 186361524 /nfs/dbraw/zinc/36/15/24/186361524.db2.gz CSRPAGZZUMQUHA-HOCLYGCPSA-N 1 0 292.423 2.314 10 0 CEAERO C[C@H]1CCCC[C@]1(CN)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111157638 186361651 /nfs/dbraw/zinc/36/16/51/186361651.db2.gz COQMCGRJGMAFIR-SOUVJXGZSA-N 1 0 254.418 2.252 10 0 CEAERO CN(C[C@H]1CCCOC1)[C@@H](C[NH3+])c1ccc(F)c(F)c1 ZINC000111157787 186361719 /nfs/dbraw/zinc/36/17/19/186361719.db2.gz FKPUCARVXKKFPH-ABAIWWIYSA-N 1 0 284.350 2.323 10 0 CEAERO Cc1ccc([C@@H](C[NH3+])N(C)C[C@@H]2CCCOC2)cc1F ZINC000111158155 186362465 /nfs/dbraw/zinc/36/24/65/186362465.db2.gz PVWQWKTZIGRYHY-XJKSGUPXSA-N 1 0 280.387 2.492 10 0 CEAERO CCCN(C1(C[NH3+])CCCCC1)S(=O)(=O)C(C)(C)C ZINC000111071360 186351080 /nfs/dbraw/zinc/35/10/80/186351080.db2.gz DPJDHFTVNACAPH-UHFFFAOYSA-N 1 0 290.473 2.488 10 0 CEAERO CCC(CC)(C[NH3+])C(=O)NC[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000111084401 186351981 /nfs/dbraw/zinc/35/19/81/186351981.db2.gz JNIKYKMRYGKSNV-XQQFMLRXSA-N 1 0 252.402 2.304 10 0 CEAERO CCCOCCOC[C@H]([NH3+])c1ccc(OC)cc1 ZINC000111108109 186353615 /nfs/dbraw/zinc/35/36/15/186353615.db2.gz MJAFXJHSKVWEDA-AWEZNQCLSA-N 1 0 253.342 2.138 10 0 CEAERO CCCOCCOc1ncc(C[NH2+]C)cc1Cl ZINC000111110880 186353918 /nfs/dbraw/zinc/35/39/18/186353918.db2.gz GKTKGKAHHXONNN-UHFFFAOYSA-N 1 0 258.749 2.260 10 0 CEAERO CCOCCN(CC)[C@@H](C[NH3+])c1cc(OC)cc(OC)c1 ZINC000111117821 186355304 /nfs/dbraw/zinc/35/53/04/186355304.db2.gz SOKZQCGLJLAIEP-INIZCTEOSA-N 1 0 296.411 2.062 10 0 CEAERO CN(CCC[NH+](C)C)c1ccc(N)c2ncccc12 ZINC000111132321 186356725 /nfs/dbraw/zinc/35/67/25/186356725.db2.gz FUTKRPKZTOWEDW-UHFFFAOYSA-N 1 0 258.369 2.205 10 0 CEAERO CCc1ccc(C(=O)[C@H](C)N(C)CC[NH+](C)C)cc1 ZINC000111139676 186357630 /nfs/dbraw/zinc/35/76/30/186357630.db2.gz QFRLLKGZIMOBEZ-ZDUSSCGKSA-N 1 0 262.397 2.314 10 0 CEAERO CC(C)Oc1ccc([C@@H](O)CN(C)CCC[NH+](C)C)cc1 ZINC000111143743 186358992 /nfs/dbraw/zinc/35/89/92/186358992.db2.gz MMZSYETVSQGMLX-KRWDZBQOSA-N 1 0 294.439 2.391 10 0 CEAERO CN(C)CC[N@H+](C)CC(C)(C)C(=O)c1ccccc1 ZINC000111146482 186359016 /nfs/dbraw/zinc/35/90/16/186359016.db2.gz RFFYJFPNBKVFCG-UHFFFAOYSA-N 1 0 262.397 2.389 10 0 CEAERO CC[C@@H]([NH3+])c1noc([C@H]2CCOc3ccccc32)n1 ZINC000111189324 186367613 /nfs/dbraw/zinc/36/76/13/186367613.db2.gz GSKUCNOIEBSIQN-WDEREUQCSA-N 1 0 259.309 2.394 10 0 CEAERO COc1ccc([C@@H](N)[C@H](C)[N@H+](C)CC2CCOCC2)cc1 ZINC000111161925 186363803 /nfs/dbraw/zinc/36/38/03/186363803.db2.gz DOBSNUSUWZFLEX-GUYCJALGSA-N 1 0 292.423 2.442 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2OC[C@@H]1N(C)CC1CCOCC1 ZINC000111162272 186364065 /nfs/dbraw/zinc/36/40/65/186364065.db2.gz VRNBCQHJVRRPDP-DOTOQJQBSA-N 1 0 290.407 2.067 10 0 CEAERO C[N@@H+](Cc1ccc(C(N)=S)cc1)CC1CCOCC1 ZINC000111163244 186364206 /nfs/dbraw/zinc/36/42/06/186364206.db2.gz JAFKJWAUNQOEDN-UHFFFAOYSA-N 1 0 278.421 2.179 10 0 CEAERO c1cnn(Cc2ccc(NC[C@H]3CCC[NH2+]C3)cc2)c1 ZINC000130969656 366010098 /nfs/dbraw/zinc/01/00/98/366010098.db2.gz JBRZVOMHOKIDJJ-HNNXBMFYSA-N 1 0 270.380 2.343 10 0 CEAERO C[C@@H]([NH3+])c1cnc(N(C)C[C@@H]2CCCOC2)s1 ZINC000111177057 186364881 /nfs/dbraw/zinc/36/48/81/186364881.db2.gz GFYCHGKCHODVEO-ZJUUUORDSA-N 1 0 255.387 2.026 10 0 CEAERO C[N@H+](CC1CCOCC1)C[C@](C)(CN)c1ccccc1 ZINC000111172842 186365722 /nfs/dbraw/zinc/36/57/22/186365722.db2.gz IESZCFOJZVGCPN-KRWDZBQOSA-N 1 0 276.424 2.261 10 0 CEAERO C[N@H+](C[C@H]1CCCOC1)C[C@@H]1CNc2ccccc2O1 ZINC000111179147 186366686 /nfs/dbraw/zinc/36/66/86/186366686.db2.gz JEIVRFBQWGIKLL-KGLIPLIRSA-N 1 0 276.380 2.218 10 0 CEAERO CCC[NH2+]Cc1nnc([C@H]2CCOc3ccccc32)o1 ZINC000111189548 186367113 /nfs/dbraw/zinc/36/71/13/186367113.db2.gz JRTHWSGWDUJMJS-LBPRGKRZSA-N 1 0 273.336 2.484 10 0 CEAERO C[C@H]1CCC[C@@H](CNC(=O)[C@@H]2CCOc3ccccc32)[NH2+]1 ZINC000111186402 186367356 /nfs/dbraw/zinc/36/73/56/186367356.db2.gz QCPWTMLNWGJIHJ-KCQAQPDRSA-N 1 0 288.391 2.200 10 0 CEAERO CCc1ccc(N(C)[C@@H](C[NH3+])[C@@H]2CCCOC2)cc1 ZINC000111321087 186396839 /nfs/dbraw/zinc/39/68/39/186396839.db2.gz XFMMXGMIDRDDAN-ZBFHGGJFSA-N 1 0 262.397 2.439 10 0 CEAERO CN(c1ccc(F)cc1)[C@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111321076 186396998 /nfs/dbraw/zinc/39/69/98/186396998.db2.gz XJHWCAMHDLJENW-BXUZGUMPSA-N 1 0 252.333 2.016 10 0 CEAERO CCC[NH2+]C[C@@]1(CN(C)Cc2cscn2)CCCOC1 ZINC000111326275 186399083 /nfs/dbraw/zinc/39/90/83/186399083.db2.gz PAMLBGAPKZZMMG-OAHLLOKOSA-N 1 0 297.468 2.371 10 0 CEAERO CCC[NH2+]Cc1cnc2c(cnn2Cc2cccnc2)c1 ZINC000111339482 186402491 /nfs/dbraw/zinc/40/24/91/186402491.db2.gz RSZXZJLRBNUAIL-UHFFFAOYSA-N 1 0 281.363 2.374 10 0 CEAERO c1ncn(C[C@H]2CCC[N@H+](Cc3ccc4c(c3)CCO4)C2)n1 ZINC000111229138 186372054 /nfs/dbraw/zinc/37/20/54/186372054.db2.gz JGGDKWCSKLOJMD-HNNXBMFYSA-N 1 0 298.390 2.125 10 0 CEAERO O=C(Nc1cccc2n[nH]cc21)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111244736 186375593 /nfs/dbraw/zinc/37/55/93/186375593.db2.gz BBZGUNAJUQPTEU-GFCCVEGCSA-N 1 0 298.268 2.043 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000111263144 186380425 /nfs/dbraw/zinc/38/04/25/186380425.db2.gz DVUQEPYEDKILGC-GZMMTYOYSA-N 1 0 288.269 2.379 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccccc1N1CCCC1 ZINC000111265164 186381292 /nfs/dbraw/zinc/38/12/92/186381292.db2.gz KYPNDJVSPDKAMD-CHWSQXEVSA-N 1 0 273.380 2.081 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000111268551 186384152 /nfs/dbraw/zinc/38/41/52/186384152.db2.gz NDNBTNNEUHAGLX-MFKMUULPSA-N 1 0 266.772 2.154 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000111271859 186384482 /nfs/dbraw/zinc/38/44/82/186384482.db2.gz JUGKSQNZKQLONA-RKDXNWHRSA-N 1 0 267.398 2.235 10 0 CEAERO Cc1nc(Cl)c(C)c(N(C)C2CC[NH+](C)CC2)n1 ZINC000111295387 186392029 /nfs/dbraw/zinc/39/20/29/186392029.db2.gz ZDUDIGBTIWZSCB-UHFFFAOYSA-N 1 0 268.792 2.277 10 0 CEAERO Cc1nn(C)c(N2Cc3ccccc3C2)c1C[C@@H](C)[NH3+] ZINC000111495952 186424183 /nfs/dbraw/zinc/42/41/83/186424183.db2.gz ZPDJULFKCBSKMY-LLVKDONJSA-N 1 0 270.380 2.138 10 0 CEAERO C[C@H]([NH3+])Cc1cc(F)c(N(C)Cc2nccn2C)c(F)c1 ZINC000111500150 186424584 /nfs/dbraw/zinc/42/45/84/186424584.db2.gz RLRCPYGTGAHMCO-JTQLQIEISA-N 1 0 294.349 2.224 10 0 CEAERO CC[C@@H]([NH3+])Cc1c(-n2nc(C)cc2C)nc2ccccn21 ZINC000111512568 186425754 /nfs/dbraw/zinc/42/57/54/186425754.db2.gz LKGCDVLXSXBEIJ-CYBMUJFWSA-N 1 0 283.379 2.417 10 0 CEAERO Cc1cc(Sc2n[nH]c(=O)n2C(C)C)ccc1CC[NH3+] ZINC000111585914 186429682 /nfs/dbraw/zinc/42/96/82/186429682.db2.gz AHAFGQNKXUDBTE-UHFFFAOYSA-N 1 0 292.408 2.113 10 0 CEAERO c1nc(CC[NH2+]Cc2ccc3c(c2)CCN3)cs1 ZINC000111630367 186433456 /nfs/dbraw/zinc/43/34/56/186433456.db2.gz SMFXTXBTNVPVKU-UHFFFAOYSA-N 1 0 259.378 2.443 10 0 CEAERO C[NH+]1CCC(OC(=O)c2cc(F)c(F)c(F)c2)CC1 ZINC000111678209 186440808 /nfs/dbraw/zinc/44/08/08/186440808.db2.gz BISAESGKMAXIKT-UHFFFAOYSA-N 1 0 273.254 2.355 10 0 CEAERO CCCCOC(=O)CN1CCC(C[NH2+]C(C)(C)C)CC1 ZINC000111697116 186444444 /nfs/dbraw/zinc/44/44/44/186444444.db2.gz YDIVZTWHDOXJTO-UHFFFAOYSA-N 1 0 284.444 2.430 10 0 CEAERO CCC[NH2+]C[C@@H]1CCCCN1Cc1cc(C)on1 ZINC000111702321 186446083 /nfs/dbraw/zinc/44/60/83/186446083.db2.gz GXGQZSBMSKPGSX-AWEZNQCLSA-N 1 0 251.374 2.337 10 0 CEAERO CCC[NH2+]C[C@H]1CCCCN1CC(=O)Nc1ccccc1 ZINC000111702276 186446527 /nfs/dbraw/zinc/44/65/27/186446527.db2.gz DKGYOHKTWTVXRN-MRXNPFEDSA-N 1 0 289.423 2.479 10 0 CEAERO CCC[NH2+][C@@H](C)[C@@H]1CCCCN1CC(=O)NCC(C)C ZINC000111712257 186450094 /nfs/dbraw/zinc/45/00/94/186450094.db2.gz JGIXACFCRNSXCV-GJZGRUSLSA-N 1 0 283.460 2.001 10 0 CEAERO CCC[NH2+][C@@H](C)[C@@H]1CCCCN1CC(=O)N[C@@H](C)C(C)C ZINC000111712547 186450483 /nfs/dbraw/zinc/45/04/83/186450483.db2.gz KWWOYIMAHLATLW-JYJNAYRXSA-N 1 0 297.487 2.390 10 0 CEAERO CCC[C@]1(C(=O)N(C)C[C@@H]2C[C@@H]2C)CCC[NH2+]C1 ZINC000111735175 186451360 /nfs/dbraw/zinc/45/13/60/186451360.db2.gz FQIMSALQOIQULU-YDHLFZDLSA-N 1 0 252.402 2.271 10 0 CEAERO Cc1cccc(C(=O)N[C@]2(C[NH3+])CCC[C@H](C)C2)n1 ZINC000111369598 186407258 /nfs/dbraw/zinc/40/72/58/186407258.db2.gz NOAXPSLDMFJPNK-XHDPSFHLSA-N 1 0 261.369 2.027 10 0 CEAERO COc1ccc(C(=O)NC2(C[NH3+])CCC(C)CC2)cc1 ZINC000111370261 186407412 /nfs/dbraw/zinc/40/74/12/186407412.db2.gz QBNDEQSEQJFYEA-UHFFFAOYSA-N 1 0 276.380 2.333 10 0 CEAERO C[C@@H]1CCC[C@](C[NH3+])(NC(=O)c2cccc(F)c2)C1 ZINC000111370056 186407620 /nfs/dbraw/zinc/40/76/20/186407620.db2.gz MWLXSNHJHSXNOC-ABAIWWIYSA-N 1 0 264.344 2.463 10 0 CEAERO CCCc1cc(N[C@H]2c3ccccc3C[C@@H]2[NH3+])ncn1 ZINC000111377636 186409463 /nfs/dbraw/zinc/40/94/63/186409463.db2.gz YQVJZOOBTSUNGS-HOCLYGCPSA-N 1 0 268.364 2.466 10 0 CEAERO CCN(Cc1ccoc1)C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000629600372 351428546 /nfs/dbraw/zinc/42/85/46/351428546.db2.gz VOXYTBFHAOCFCF-AWEZNQCLSA-N 1 0 250.342 2.160 10 0 CEAERO CCCCOC[C@H](O)C[NH2+]C[C@@H]1CCCC12CC2 ZINC000629618057 351433164 /nfs/dbraw/zinc/43/31/64/351433164.db2.gz IEBXZLWQYIKMLQ-UONOGXRCSA-N 1 0 255.402 2.334 10 0 CEAERO CO[C@@H]1C[NH2+][C@](C)(c2nc(C3CCCCC3)no2)C1 ZINC000629678746 351465864 /nfs/dbraw/zinc/46/58/64/351465864.db2.gz DLLGUIOFADXWLN-FZMZJTMJSA-N 1 0 265.357 2.341 10 0 CEAERO CO[C@H]1C[NH2+][C@@](C)(c2nc(-c3ccc(F)cc3)no2)C1 ZINC000629678448 351464763 /nfs/dbraw/zinc/46/47/63/351464763.db2.gz OMRZNHYZOSFMTP-BXUZGUMPSA-N 1 0 277.299 2.099 10 0 CEAERO C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)[C@H](C)C1 ZINC000070114811 363032734 /nfs/dbraw/zinc/03/27/34/363032734.db2.gz JMDBIWMHDJXVDQ-POQQGIQPSA-N 1 0 252.402 2.445 10 0 CEAERO [NH3+][C@@H]1CCN(c2nccn3nc(-c4ccc(F)cc4)cc23)C1 ZINC000070458563 363086254 /nfs/dbraw/zinc/08/62/54/363086254.db2.gz ICYSOPPCDYJEIH-CYBMUJFWSA-N 1 0 297.337 2.073 10 0 CEAERO [NH3+][C@H]1CCCN(c2cc(-c3cc(F)cc(F)c3)[nH]n2)C1 ZINC000070460155 363087108 /nfs/dbraw/zinc/08/71/08/363087108.db2.gz YONXEPDCKLKPIW-LBPRGKRZSA-N 1 0 278.306 2.282 10 0 CEAERO Cc1cccc(-c2ccc(N3CCC[C@@H]([NH3+])C3)nn2)c1 ZINC000070458958 363087666 /nfs/dbraw/zinc/08/76/66/363087666.db2.gz SMQFRTGQDBSUOR-CQSZACIVSA-N 1 0 268.364 2.380 10 0 CEAERO CC(C)c1cc(N2CCC[NH2+]CC2)nc(-c2cccnc2)n1 ZINC000070451963 363084053 /nfs/dbraw/zinc/08/40/53/363084053.db2.gz ITBWAARNVRXGLX-UHFFFAOYSA-N 1 0 297.406 2.462 10 0 CEAERO CCc1cc(N2CC[C@@H]([NH3+])C2)nc(-c2ccc(OC)cc2)n1 ZINC000070455854 363085053 /nfs/dbraw/zinc/08/50/53/363085053.db2.gz QIFAKJNJKYICRN-CYBMUJFWSA-N 1 0 298.390 2.252 10 0 CEAERO CO[C@@H]1CN(Cc2ccc(Cl)cc2)[C@](C)(C[NH3+])C1 ZINC000630356122 351709952 /nfs/dbraw/zinc/70/99/52/351709952.db2.gz OQCGAVLVMRHROT-KBPBESRZSA-N 1 0 268.788 2.278 10 0 CEAERO CO[C@@H]1CN(Cc2ccc(Cl)cc2)[C@@](C)(C[NH3+])C1 ZINC000630356125 351710263 /nfs/dbraw/zinc/71/02/63/351710263.db2.gz OQCGAVLVMRHROT-UONOGXRCSA-N 1 0 268.788 2.278 10 0 CEAERO CO[C@@H]1CN(Cc2cc(C)cc(C)c2)[C@@](C)(C[NH3+])C1 ZINC000630364816 351712995 /nfs/dbraw/zinc/71/29/95/351712995.db2.gz WCEBKNFAEVKZPC-JKSUJKDBSA-N 1 0 262.397 2.242 10 0 CEAERO CO[C@@H]1CN(Cc2cc(F)ccc2C)[C@@](C)(C[NH3+])C1 ZINC000630368075 351714445 /nfs/dbraw/zinc/71/44/45/351714445.db2.gz QFAPNOAWXVWYBJ-LSDHHAIUSA-N 1 0 266.360 2.072 10 0 CEAERO C[C@]12C[NH2+]C[C@@]1(C)CN(c1ncc(Cl)cc1F)C2 ZINC000630539085 351777283 /nfs/dbraw/zinc/77/72/83/351777283.db2.gz VTVJZCCXLXINAT-BETUJISGSA-N 1 0 269.751 2.310 10 0 CEAERO Cc1nccnc1NCC[C@H]([NH3+])Cc1ccccc1 ZINC000630549686 351780546 /nfs/dbraw/zinc/78/05/46/351780546.db2.gz CTYAGCYSUMXNBF-AWEZNQCLSA-N 1 0 256.353 2.157 10 0 CEAERO C[NH2+]CCOCCN(C)c1nc2ccccc2cc1C ZINC000630528291 351773918 /nfs/dbraw/zinc/77/39/18/351773918.db2.gz FEIYRKOUKXJCGI-UHFFFAOYSA-N 1 0 273.380 2.215 10 0 CEAERO CCCn1cc(C[NH+]2CCC(Cn3cccn3)CC2)cn1 ZINC000122084823 187014185 /nfs/dbraw/zinc/01/41/85/187014185.db2.gz WYDLEUBCCJOUKN-UHFFFAOYSA-N 1 0 287.411 2.402 10 0 CEAERO Cn1cc(Cl)cc1C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000122455420 187033190 /nfs/dbraw/zinc/03/31/90/187033190.db2.gz UTXGSQWEGZMQON-UHFFFAOYSA-N 1 0 293.754 2.268 10 0 CEAERO Cc1cncc(/C=C/C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000123026914 187066954 /nfs/dbraw/zinc/06/69/54/187066954.db2.gz JDFIFYCXLUCZOR-SQRWCISFSA-N 1 0 285.391 2.100 10 0 CEAERO CC[C@@](C)(O)C[N@H+](C)CCOc1ccccc1C ZINC000123236081 187079857 /nfs/dbraw/zinc/07/98/57/187079857.db2.gz ZEJZQMCBGGIBFQ-OAHLLOKOSA-N 1 0 251.370 2.467 10 0 CEAERO C[C@@H](C[NH2+][C@@H](Cc1ccccc1)C1CC1)N1CCOCC1 ZINC000123242865 187080240 /nfs/dbraw/zinc/08/02/40/187080240.db2.gz WCGBKYRDTDMXSE-YJBOKZPZSA-N 1 0 288.435 2.318 10 0 CEAERO COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@@H](C)N1CCOCC1 ZINC000123353862 187086511 /nfs/dbraw/zinc/08/65/11/187086511.db2.gz ZRZJYZIVACLZEZ-HUUCEWRRSA-N 1 0 292.423 2.375 10 0 CEAERO CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CCOCC2)cc1 ZINC000123537647 187097803 /nfs/dbraw/zinc/09/78/03/187097803.db2.gz BQEIGSYJXRZFNY-LSDHHAIUSA-N 1 0 292.423 2.457 10 0 CEAERO CC(C)N(Cc1ccccn1)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000070576528 363098169 /nfs/dbraw/zinc/09/81/69/363098169.db2.gz DQKKGPZVWSKTNQ-KBPBESRZSA-N 1 0 275.396 2.336 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NCc2ccncc2Br)C1 ZINC000631049576 351937698 /nfs/dbraw/zinc/93/76/98/351937698.db2.gz KIXHCTGFDMTNKI-GFCCVEGCSA-N 1 0 298.228 2.418 10 0 CEAERO Brc1ccc(S[C@@H]2CC[NH2+]C2)nc1 ZINC000070615549 363102113 /nfs/dbraw/zinc/10/21/13/363102113.db2.gz PBBVDSOHYOSDMZ-MRVPVSSYSA-N 1 0 259.172 2.298 10 0 CEAERO COCc1nc(C[NH2+]C[C@@H]2CCO[C@@H](C)C2)cs1 ZINC000678361959 539833560 /nfs/dbraw/zinc/83/35/60/539833560.db2.gz ORDPPWKXBXZCED-WDEREUQCSA-N 1 0 270.398 2.194 10 0 CEAERO CC(C)(C)OC(=O)N1C[C@H](C2CC2)[NH2+]C[C@H]1C1CC1 ZINC000071372363 363108803 /nfs/dbraw/zinc/10/88/03/363108803.db2.gz LJTPAFSSEODCRE-OLZOCXBDSA-N 1 0 266.385 2.384 10 0 CEAERO [NH3+][C@H](CO)c1cc(C(F)(F)F)cc(Cl)c1F ZINC000072199266 363120491 /nfs/dbraw/zinc/12/04/91/363120491.db2.gz NXZHOVCHQPCDJJ-SSDOTTSWSA-N 1 0 257.614 2.490 10 0 CEAERO COc1ccccc1N(C)C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000094648019 539883979 /nfs/dbraw/zinc/88/39/79/539883979.db2.gz AUGPUIWUJLZDPI-RYUDHWBXSA-N 1 0 262.353 2.046 10 0 CEAERO Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H]1CCO[C@@H]1C ZINC000149618407 187922413 /nfs/dbraw/zinc/92/24/13/187922413.db2.gz BBHIRORMORWEPS-ZYHUDNBSSA-N 1 0 282.771 2.354 10 0 CEAERO Nc1ccc2nc(N3CC[N@@H+]4CCC[C@H]4C3)sc2c1 ZINC000250012847 539963850 /nfs/dbraw/zinc/96/38/50/539963850.db2.gz ISTSBKBZJLJMDY-NSHDSACASA-N 1 0 274.393 2.163 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)c2cc(Cl)cn2C)[C@@H](C)C1 ZINC000155473261 188208128 /nfs/dbraw/zinc/20/81/28/188208128.db2.gz FDIFRECNBGZWNH-JQWIXIFHSA-N 1 0 283.803 2.137 10 0 CEAERO Cc1cc(C)cc(CCNC(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000156158771 188245778 /nfs/dbraw/zinc/24/57/78/188245778.db2.gz DUBPUXMQIZUKJJ-INIZCTEOSA-N 1 0 289.423 2.191 10 0 CEAERO CCC[C@H](C(=O)Nc1ccc2c(c1)OCO2)[NH+](C)C ZINC000156772944 188281155 /nfs/dbraw/zinc/28/11/55/188281155.db2.gz WBZPRMACJNEUJH-LLVKDONJSA-N 1 0 264.325 2.084 10 0 CEAERO C[C@@H]1CCCN(c2nc3ccccc3n2C)[C@H]1C[NH3+] ZINC000252094058 539998119 /nfs/dbraw/zinc/99/81/19/539998119.db2.gz FDGHPOQDFCJHHJ-RISCZKNCSA-N 1 0 258.369 2.137 10 0 CEAERO C[C@H]([NH3+])[C@H]1CCCN(c2nnc(C(F)(F)F)s2)C1 ZINC000160373786 188469361 /nfs/dbraw/zinc/46/93/61/188469361.db2.gz FAFZBCFFKLNIDG-BQBZGAKWSA-N 1 0 280.319 2.121 10 0 CEAERO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000252793427 540008327 /nfs/dbraw/zinc/00/83/27/540008327.db2.gz XDUKATZPBPETAS-HLPPOEQASA-N 1 0 270.376 2.117 10 0 CEAERO COc1cc(F)ccc1NC(=O)C[C@H]1CCCC[NH2+]1 ZINC000049570470 522604397 /nfs/dbraw/zinc/60/43/97/522604397.db2.gz DJZHSGCPBQPHOP-LLVKDONJSA-N 1 0 266.316 2.305 10 0 CEAERO COC1(C)CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000271731082 191295101 /nfs/dbraw/zinc/29/51/01/191295101.db2.gz MYWXDCRRHHVPKK-MRXNPFEDSA-N 1 0 293.407 2.065 10 0 CEAERO Cc1cc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])c(C)s1 ZINC000157726887 540043776 /nfs/dbraw/zinc/04/37/76/540043776.db2.gz KUQFCMKCUDTLEN-JQWIXIFHSA-N 1 0 252.383 2.222 10 0 CEAERO CC1(C(=O)N([C@@H](CC[NH3+])C(F)(F)F)C2CC2)CC1 ZINC000675056124 540073391 /nfs/dbraw/zinc/07/33/91/540073391.db2.gz CTIRLKHFYWXUIY-VIFPVBQESA-N 1 0 264.291 2.057 10 0 CEAERO COc1cc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)sn1 ZINC000401107882 540075951 /nfs/dbraw/zinc/07/59/51/540075951.db2.gz JBNQNLHMATZDDI-SMDDNHRTSA-N 1 0 282.409 2.279 10 0 CEAERO CC[C@@H]1COC(C)(C)C[N@@H+]1C[C@@H]1CCC[C@@H](O)C1 ZINC000403965888 540118339 /nfs/dbraw/zinc/11/83/39/540118339.db2.gz OKAUKGXEXYUGJS-MGPQQGTHSA-N 1 0 255.402 2.427 10 0 CEAERO C[C@H](C(=O)N[C@@H]1C[C@@H]2C[C@@H](C[NH3+])C[C@@H]12)C(C)(C)C ZINC000675070969 540112959 /nfs/dbraw/zinc/11/29/59/540112959.db2.gz UYEUPNNBBZMTCD-UJPOAAIJSA-N 1 0 252.402 2.158 10 0 CEAERO [NH3+]CC[C@H]1CCC[C@@H](C(F)(F)F)N1C(=O)CC1CC1 ZINC000675074088 540115848 /nfs/dbraw/zinc/11/58/48/540115848.db2.gz XQJWQUIXXXKGRT-MNOVXSKESA-N 1 0 278.318 2.447 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@]2(CC1)OCC[C@H]2C[NH3+] ZINC000675080438 540119891 /nfs/dbraw/zinc/11/98/91/540119891.db2.gz QOXGVRKVDHHCOR-SWLSCSKDSA-N 1 0 284.400 2.141 10 0 CEAERO Cc1ccc(CN2CC[C@@H]3OCC[NH2+][C@@H]3C2)c(Cl)c1 ZINC000404257781 540120585 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CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H]2C[C@@H]2C)c1 ZINC000076078244 363519348 /nfs/dbraw/zinc/51/93/48/363519348.db2.gz FXAWEDFPMIYMGC-WFASDCNBSA-N 1 0 275.396 2.346 10 0 CEAERO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H]2C[C@H]2C)c1 ZINC000120400784 538846365 /nfs/dbraw/zinc/84/63/65/538846365.db2.gz IQOKJYVGXXCESW-MDZLAQPJSA-N 1 0 292.379 2.419 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@@H](C)c1ccccn1 ZINC000079207048 363585237 /nfs/dbraw/zinc/58/52/37/363585237.db2.gz ZCAFURLIWILQSD-UONOGXRCSA-N 1 0 292.427 2.418 10 0 CEAERO C[C@H]1CC[C@@H]([NH+]2CCC(C3N=NC(=O)O3)CC2)C1 ZINC000336267034 213103707 /nfs/dbraw/zinc/10/37/07/213103707.db2.gz XZMRRTFRAMERGG-GXSJLCMTSA-N 1 0 251.330 2.143 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CNc3[nH+]ccn32)C1 ZINC000232498062 542254940 /nfs/dbraw/zinc/25/49/40/542254940.db2.gz JHRQBHCLBBCKOC-WDEREUQCSA-N 1 0 278.356 2.107 10 0 CEAERO CC[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccsc1 ZINC000294420588 199033154 /nfs/dbraw/zinc/03/31/54/199033154.db2.gz OICAFRYQSGFHMW-STQMWFEESA-N 1 0 254.399 2.119 10 0 CEAERO CC[N@H+](C)C[C@H](O)CN[C@@H](C)c1ccc(Cl)s1 ZINC000310567979 540344527 /nfs/dbraw/zinc/34/45/27/540344527.db2.gz YIGXGRRADSJPPT-VHSXEESVSA-N 1 0 276.833 2.365 10 0 CEAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1cc(O)ccc1F ZINC000336213712 213037722 /nfs/dbraw/zinc/03/77/22/213037722.db2.gz WNNBWDBXBBAXBG-NWDGAFQWSA-N 1 0 292.354 2.230 10 0 CEAERO OCC[C@@H]1CCC[C@H]1[NH2+]Cc1nc2cccnc2s1 ZINC000329211034 202235476 /nfs/dbraw/zinc/23/54/76/202235476.db2.gz YZXVIFVALJEABD-WDEREUQCSA-N 1 0 277.393 2.332 10 0 CEAERO C[C@H](COCc1ccccc1)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000390784065 540396953 /nfs/dbraw/zinc/39/69/53/540396953.db2.gz UDVUYTYVZVWBOJ-GDBMZVCRSA-N 1 0 290.407 2.098 10 0 CEAERO [NH3+][C@H]1CCC[C@H](C(=O)N2CCc3ccccc3CC2)C1 ZINC000079572055 363615948 /nfs/dbraw/zinc/61/59/48/363615948.db2.gz KYIXPYFGDFKPGG-HOTGVXAUSA-N 1 0 272.392 2.131 10 0 CEAERO CC(=O)Nc1ccc(C[NH2+][C@H]2CCCCC[C@H]2O)cc1 ZINC000135608044 366459621 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CCCN1CC[C@@H]([NH3+])[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000685952542 540646552 /nfs/dbraw/zinc/64/65/52/540646552.db2.gz AHNDTSKCLBINEH-CJNGLKHVSA-N 1 0 297.443 2.199 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@](C)([NH+]2CCC2)C1 ZINC000685961927 540662762 /nfs/dbraw/zinc/66/27/62/540662762.db2.gz YETGMSTZAGIDQB-AWEZNQCLSA-N 1 0 254.374 2.482 10 0 CEAERO COCC[N@@H+]1CCN(CCc2ccccc2F)C[C@@H]1C ZINC000137592900 366547031 /nfs/dbraw/zinc/54/70/31/366547031.db2.gz QHIIVEBQKNWXMX-AWEZNQCLSA-N 1 0 280.387 2.021 10 0 CEAERO CCCCNC(=O)C[NH2+][C@H](C)c1ccccc1OC ZINC000149284073 366588208 /nfs/dbraw/zinc/58/82/08/366588208.db2.gz NEHUKPVRMVDHNI-GFCCVEGCSA-N 1 0 264.369 2.262 10 0 CEAERO CCOC(=O)CC[N@@H+]1CC[C@H](CNc2cccc(C)n2)C1 ZINC000151115777 366622813 /nfs/dbraw/zinc/62/28/13/366622813.db2.gz GELSOEDIKXHNKN-CQSZACIVSA-N 1 0 291.395 2.077 10 0 CEAERO O[C@@H](CN[C@@H]1CCc2ccccc21)C[NH+]1CCCCC1 ZINC000151268017 366635523 /nfs/dbraw/zinc/63/55/23/366635523.db2.gz XEWQHMFVPSDGGS-DOTOQJQBSA-N 1 0 274.408 2.110 10 0 CEAERO COc1ccccc1[C@H](C)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000151282514 366636341 /nfs/dbraw/zinc/63/63/41/366636341.db2.gz HYHYPHXRUYUANA-LSDHHAIUSA-N 1 0 292.423 2.193 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)CCCc2ccc(F)c(F)c2)C1 ZINC000151427279 366643825 /nfs/dbraw/zinc/64/38/25/366643825.db2.gz CUDOGXFLEZEMKB-ZDUSSCGKSA-N 1 0 296.361 2.450 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CCc1ccccc1O ZINC000176976321 189017889 /nfs/dbraw/zinc/01/78/89/189017889.db2.gz JRVUUZJBBOQQOK-HNNXBMFYSA-N 1 0 290.407 2.268 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccccc1OC ZINC000177035425 189022764 /nfs/dbraw/zinc/02/27/64/189022764.db2.gz WCZBBHBZELZYPI-CYBMUJFWSA-N 1 0 276.380 2.252 10 0 CEAERO Cc1ccc(N2CCC[N@@H+]([C@@H](C)c3ccccn3)CC2)nn1 ZINC000177126306 189030828 /nfs/dbraw/zinc/03/08/28/189030828.db2.gz PCVUZALVKOEDLO-HNNXBMFYSA-N 1 0 297.406 2.453 10 0 CEAERO CC[C@@H]1CN([C@@H](C)c2ccccn2)CC[N@@H+]1CCOC ZINC000177132232 189031284 /nfs/dbraw/zinc/03/12/84/189031284.db2.gz MGPYADZNBXWQPH-LSDHHAIUSA-N 1 0 277.412 2.185 10 0 CEAERO COC[C@@H](C)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000177313990 189043598 /nfs/dbraw/zinc/04/35/98/189043598.db2.gz MGPQXJPFNNZJIB-GFCCVEGCSA-N 1 0 264.369 2.278 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NOCc1ccccc1 ZINC000177317612 189043855 /nfs/dbraw/zinc/04/38/55/189043855.db2.gz ACLAIYCDZBXAFG-HNNXBMFYSA-N 1 0 291.395 2.244 10 0 CEAERO Cc1cc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cnc1Cl ZINC000177963567 189082050 /nfs/dbraw/zinc/08/20/50/189082050.db2.gz XAYDEWCXNGRUQL-LBPRGKRZSA-N 1 0 294.786 2.355 10 0 CEAERO COCc1cccc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c1 ZINC000179214410 189178104 /nfs/dbraw/zinc/17/81/04/189178104.db2.gz WUGLRVSZYBRIIB-MRXNPFEDSA-N 1 0 286.379 2.262 10 0 CEAERO Cn1cc([C@H]2CC[N@H+](Cc3cnn4ccccc34)C2)cn1 ZINC000179808364 189222222 /nfs/dbraw/zinc/22/22/22/189222222.db2.gz DMVBBXWATVPERI-ZDUSSCGKSA-N 1 0 281.363 2.057 10 0 CEAERO c1cnn(CC2CC[NH+](Cc3cccc4nccn43)CC2)c1 ZINC000180125360 189238227 /nfs/dbraw/zinc/23/82/27/189238227.db2.gz XJSIWTUIGGCXOU-UHFFFAOYSA-N 1 0 295.390 2.443 10 0 CEAERO CCCc1csc(NC(=O)N2CC[C@H]([NH+](C)C)C2)n1 ZINC000180631740 189266682 /nfs/dbraw/zinc/26/66/82/189266682.db2.gz DFQWFMZDXJCCCD-NSHDSACASA-N 1 0 282.413 2.263 10 0 CEAERO Cc1cccc([C@H](C)[NH2+]C[C@@H]2CN(C)CCO2)c1C ZINC000180501027 189259263 /nfs/dbraw/zinc/25/92/63/189259263.db2.gz ORAMAFVDSMFOHZ-LSDHHAIUSA-N 1 0 262.397 2.285 10 0 CEAERO Cc1cccc([C@@H](C)[NH2+]C[C@H]2CN(C)CCO2)c1C ZINC000180501046 189259353 /nfs/dbraw/zinc/25/93/53/189259353.db2.gz ORAMAFVDSMFOHZ-CABCVRRESA-N 1 0 262.397 2.285 10 0 CEAERO Cc1ccc(-c2nc(CC(=O)NCCCC[NH3+])cs2)o1 ZINC000181042236 189286856 /nfs/dbraw/zinc/28/68/56/189286856.db2.gz MRGAFVQAOAAHMP-UHFFFAOYSA-N 1 0 293.392 2.109 10 0 CEAERO Cc1ccc(CCCN2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000181854003 189308570 /nfs/dbraw/zinc/30/85/70/189308570.db2.gz BMRBELHDZVUZQE-QGZVFWFLSA-N 1 0 276.424 2.190 10 0 CEAERO CCC[C@H]([NH3+])C(=O)Nc1cc(Cl)cc(C)c1O ZINC000182201763 189316942 /nfs/dbraw/zinc/31/69/42/189316942.db2.gz XUUBIFGAUAQBKJ-VIFPVBQESA-N 1 0 256.733 2.420 10 0 CEAERO C[C@H]([NH2+]CC(=O)Nc1nccs1)c1cccs1 ZINC000182202248 189316947 /nfs/dbraw/zinc/31/69/47/189316947.db2.gz JPIXUWUMTHNJFT-QMMMGPOBSA-N 1 0 267.379 2.494 10 0 CEAERO CCC[C@@H](C)[NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182337184 189320723 /nfs/dbraw/zinc/32/07/23/189320723.db2.gz BQYXHLPVBBRCSU-DGCLKSJQSA-N 1 0 278.400 2.002 10 0 CEAERO CC(=O)Nc1cccc([C@H]([NH3+])CNC(=O)OC(C)(C)C)c1 ZINC000083428628 363772823 /nfs/dbraw/zinc/77/28/23/363772823.db2.gz FUYCHUKPYDOMEJ-CYBMUJFWSA-N 1 0 293.367 2.170 10 0 CEAERO Cc1cc(S(=O)(=O)[C@@H](C[NH3+])c2ccco2)ccc1F ZINC000011847655 361366092 /nfs/dbraw/zinc/36/60/92/361366092.db2.gz HDUJZHWJMQCMOI-ZDUSSCGKSA-N 1 0 283.324 2.201 10 0 CEAERO CC(C)Cc1ccc(C[NH2+]C[C@@H]2CN(C)CCO2)cc1 ZINC000083552790 363779359 /nfs/dbraw/zinc/77/93/59/363779359.db2.gz ALIBQPPNHOWBMN-QGZVFWFLSA-N 1 0 276.424 2.305 10 0 CEAERO Cc1ccc([C@H](C)[NH2+]CCCS(=O)(=O)C(C)C)o1 ZINC000182579355 189328519 /nfs/dbraw/zinc/32/85/19/189328519.db2.gz QVCGDYCUBDWELP-LBPRGKRZSA-N 1 0 273.398 2.452 10 0 CEAERO C[C@@H]([NH2+][C@H](CO)c1ccccc1)C(=O)NCc1ccccc1 ZINC000182917170 189339397 /nfs/dbraw/zinc/33/93/97/189339397.db2.gz LLJOSWBWGKXMRW-RHSMWYFYSA-N 1 0 298.386 2.015 10 0 CEAERO Cc1cc(N[C@H](C)[C@@H]2CN(C)CCO2)nc(C(C)C)n1 ZINC000154781440 366790585 /nfs/dbraw/zinc/79/05/85/366790585.db2.gz YRLVQAJCRQFJIU-OLZOCXBDSA-N 1 0 278.400 2.039 10 0 CEAERO CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000183055707 189344414 /nfs/dbraw/zinc/34/44/14/189344414.db2.gz LKUPFYQXLJEXPJ-JSGCOSHPSA-N 1 0 295.814 2.018 10 0 CEAERO CC[C@H](C)Oc1cc(CNC(=O)[C@@H]([NH3+])[C@@H](C)CC)ccn1 ZINC000183068342 189345244 /nfs/dbraw/zinc/34/52/44/189345244.db2.gz KPJRCVXIRXEPEH-HUBLWGQQSA-N 1 0 293.411 2.249 10 0 CEAERO C[C@H]([NH2+]Cc1cc(F)cc2c1OCOC2)[C@H]1CCCO1 ZINC000183190561 189350083 /nfs/dbraw/zinc/35/00/83/189350083.db2.gz LKEGOBXPWIRNQC-IINYFYTJSA-N 1 0 281.327 2.349 10 0 CEAERO COc1ccc(NC(=O)CC[NH2+][C@H](C)[C@H]2CCCO2)cc1 ZINC000183212820 189350519 /nfs/dbraw/zinc/35/05/19/189350519.db2.gz NBRDMENDAYDIKE-IUODEOHRSA-N 1 0 292.379 2.181 10 0 CEAERO Cc1nnc(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)s1 ZINC000301691988 201142023 /nfs/dbraw/zinc/14/20/23/201142023.db2.gz KYAYANIXKUYTNF-OLZOCXBDSA-N 1 0 296.440 2.026 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cc(C)ccn1 ZINC000184099295 189376102 /nfs/dbraw/zinc/37/61/02/189376102.db2.gz DVYXTRZDFXNVFQ-CYBMUJFWSA-N 1 0 276.384 2.338 10 0 CEAERO C[C@@H](c1cnccn1)[NH+]1CCC(Cn2cccn2)CC1 ZINC000184527538 189388620 /nfs/dbraw/zinc/38/86/20/189388620.db2.gz QVORECHYFCRIIW-ZDUSSCGKSA-N 1 0 271.368 2.146 10 0 CEAERO COC[C@@H](O)CCNc1cc[nH+]c2c(C)cccc12 ZINC000301869180 201242267 /nfs/dbraw/zinc/24/22/67/201242267.db2.gz GZCWCLCKZOYEEH-LBPRGKRZSA-N 1 0 260.337 2.353 10 0 CEAERO CC(C)[NH2+]C[C@@H](O)COC(=O)c1ccc2ccccc2c1 ZINC000025973955 361634851 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363943428 /nfs/dbraw/zinc/94/34/28/363943428.db2.gz SYXYNIGVDVKWCB-GDBMZVCRSA-N 1 0 271.364 2.123 10 0 CEAERO Cc1cc(C(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)ccc1F ZINC000089710092 363994752 /nfs/dbraw/zinc/99/47/52/363994752.db2.gz IHBOZBFGMNBFDU-FZMZJTMJSA-N 1 0 264.344 2.156 10 0 CEAERO CCCc1cc(NC(=O)[C@H](CCC)[NH+](C)C)n(C)n1 ZINC000089394019 363958659 /nfs/dbraw/zinc/95/86/59/363958659.db2.gz UAXWHRBMPIFKDC-LBPRGKRZSA-N 1 0 266.389 2.041 10 0 CEAERO CCOC(=O)c1ccc(CN2CC[N@@H+]3CCCC[C@@H]3C2)o1 ZINC000092616219 364087448 /nfs/dbraw/zinc/08/74/48/364087448.db2.gz DEQJQWFBFCTEOG-CYBMUJFWSA-N 1 0 292.379 2.126 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccc(C(=O)OC)cc1 ZINC000092632092 364089154 /nfs/dbraw/zinc/08/91/54/364089154.db2.gz XSKRMSXNICEDBH-MRXNPFEDSA-N 1 0 290.407 2.389 10 0 CEAERO C[NH2+]CCCC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000237195954 370698931 /nfs/dbraw/zinc/69/89/31/370698931.db2.gz WCLMTKQGYGBHQQ-ZDUSSCGKSA-N 1 0 286.379 2.049 10 0 CEAERO Cc1ncccc1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000092810980 364109629 /nfs/dbraw/zinc/10/96/29/364109629.db2.gz IYWRASSHACRSRE-UHFFFAOYSA-N 1 0 256.353 2.493 10 0 CEAERO Cc1cc(C)n2c(CN3C[C@@H]4CCC[N@H+]4C[C@@H]3C)cnc2n1 ZINC000093437475 364181458 /nfs/dbraw/zinc/18/14/58/364181458.db2.gz NTQAMZAUGXIVDO-GJZGRUSLSA-N 1 0 299.422 2.015 10 0 CEAERO CCOCC[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000093315860 364163629 /nfs/dbraw/zinc/16/36/29/364163629.db2.gz YESRTRLRHDCYGZ-KBPBESRZSA-N 1 0 278.396 2.221 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCc2ccccc2OCC2CC2)C1 ZINC000237941488 370761500 /nfs/dbraw/zinc/76/15/00/370761500.db2.gz KUJFGDQKLOTRDR-UKRRQHHQSA-N 1 0 288.391 2.219 10 0 CEAERO Cc1c(C[NH2+]CCCN(C)c2ccccc2)cnn1C ZINC000093649184 364208779 /nfs/dbraw/zinc/20/87/79/364208779.db2.gz XGFNQFFKNVPAPG-UHFFFAOYSA-N 1 0 272.396 2.345 10 0 CEAERO CCC[C@H](C(=O)Nc1ccc(-c2ncon2)cc1)[NH+](C)C ZINC000094092822 364252103 /nfs/dbraw/zinc/25/21/03/364252103.db2.gz XFZZNEKDCGHYRW-CYBMUJFWSA-N 1 0 288.351 2.405 10 0 CEAERO Clc1cc(OCCC[C@H]2CCCC[NH2+]2)ncn1 ZINC000095069828 364329535 /nfs/dbraw/zinc/32/95/35/364329535.db2.gz KGCRIEQAEPXAMJ-SNVBAGLBSA-N 1 0 255.749 2.431 10 0 CEAERO Clc1ccnc(OCCC[C@H]2CCCC[NH2+]2)n1 ZINC000095070170 364330120 /nfs/dbraw/zinc/33/01/20/364330120.db2.gz NDFKCFYGHARXHE-SNVBAGLBSA-N 1 0 255.749 2.431 10 0 CEAERO CSc1nccc(SC[C@H]2CCC[NH2+]C2)n1 ZINC000095071821 364332239 /nfs/dbraw/zinc/33/22/39/364332239.db2.gz BFIQGQYIFBBYBG-VIFPVBQESA-N 1 0 255.412 2.290 10 0 CEAERO C[NH2+]C1(C)CCN(C(=O)OCc2ccccc2)CC1 ZINC000095075748 364333181 /nfs/dbraw/zinc/33/31/81/364333181.db2.gz RYUOATCXBFXDFS-UHFFFAOYSA-N 1 0 262.353 2.397 10 0 CEAERO O=C([O-])C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000095078188 364334001 /nfs/dbraw/zinc/33/40/01/364334001.db2.gz AZDMFFDLTXARSE-UHFFFAOYSA-N 1 0 288.391 2.059 10 0 CEAERO CCC1(CC)CCN(C(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000094802249 364296643 /nfs/dbraw/zinc/29/66/43/364296643.db2.gz QTGNYVRBMCVNFU-CYBMUJFWSA-N 1 0 252.402 2.415 10 0 CEAERO CCS(=O)(=O)c1ccccc1N[C@H](C)CCC[NH3+] ZINC000094948015 364313429 /nfs/dbraw/zinc/31/34/29/364313429.db2.gz APSIUBNMXMQPLB-LLVKDONJSA-N 1 0 270.398 2.020 10 0 CEAERO Cc1nc2sccc2c(N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)n1 ZINC000095372271 364349286 /nfs/dbraw/zinc/34/92/86/364349286.db2.gz CFGJDJHQNISGCE-CMPLNLGQSA-N 1 0 274.393 2.140 10 0 CEAERO Cc1cc(O[C@@H](C)C(N)=[NH2+])ccc1Br ZINC000157179122 366841223 /nfs/dbraw/zinc/84/12/23/366841223.db2.gz XLOWKRAZFRJFKD-ZETCQYMHSA-N 1 0 257.131 2.461 10 0 CEAERO [NH3+]Cc1cc(I)c(F)cc1F ZINC000098095785 364531501 /nfs/dbraw/zinc/53/15/01/364531501.db2.gz GXAFODQBISARRZ-UHFFFAOYSA-N 1 0 269.032 2.028 10 0 CEAERO Clc1cccc(Cl)c1CN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000335179071 364583348 /nfs/dbraw/zinc/58/33/48/364583348.db2.gz QPWLILJDNDCLOJ-QWHCGFSZSA-N 1 0 287.190 2.166 10 0 CEAERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1cncc(Br)c1 ZINC000335658452 212377521 /nfs/dbraw/zinc/37/75/21/212377521.db2.gz ULDUZRYEUQSRDF-KCJUWKMLSA-N 1 0 270.174 2.254 10 0 CEAERO COC[C@@H](C)C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000103379182 364646604 /nfs/dbraw/zinc/64/66/04/364646604.db2.gz KPZSQPHHHCWUHG-CABCVRRESA-N 1 0 284.444 2.142 10 0 CEAERO CCOC(=O)c1ccc(N[C@H](C[NH3+])CC(C)C)nc1 ZINC000111830741 364762539 /nfs/dbraw/zinc/76/25/39/364762539.db2.gz PXYHZDQQNDXKTQ-LBPRGKRZSA-N 1 0 265.357 2.044 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COC1CCCCC1 ZINC000113227290 364877144 /nfs/dbraw/zinc/87/71/44/364877144.db2.gz FPAPYZVHWFKKIT-ZIAGYGMSSA-N 1 0 280.412 2.031 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1ccsc1 ZINC000113230750 364878282 /nfs/dbraw/zinc/87/82/82/364878282.db2.gz PRHBWBMNCGIHGY-TZMCWYRMSA-N 1 0 278.421 2.376 10 0 CEAERO CCN1CCO[C@H](C[NH2+]Cc2ccccc2Cl)C1 ZINC000113266856 364880986 /nfs/dbraw/zinc/88/09/86/364880986.db2.gz IKMKGWFCUUQHEN-CYBMUJFWSA-N 1 0 268.788 2.150 10 0 CEAERO CCc1nc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cs1 ZINC000113269791 364882522 /nfs/dbraw/zinc/88/25/22/364882522.db2.gz RYWPEQMHVCCZLQ-AAEUAGOBSA-N 1 0 265.426 2.374 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(C)Cc1cccs1 ZINC000335593341 212305866 /nfs/dbraw/zinc/30/58/66/212305866.db2.gz DCOABMQZXZGJNN-JQWIXIFHSA-N 1 0 252.383 2.095 10 0 CEAERO NC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000114201210 364931291 /nfs/dbraw/zinc/93/12/91/364931291.db2.gz RJXHWFHWARSQKN-OAHLLOKOSA-N 1 0 284.363 2.236 10 0 CEAERO [NH3+]C[C@H]1CC[C@H](Nc2ccc(Br)cn2)C1 ZINC000335582656 212295457 /nfs/dbraw/zinc/29/54/57/212295457.db2.gz RFEXGLPRVVOCKC-WPRPVWTQSA-N 1 0 270.174 2.383 10 0 CEAERO Cc1cc(NC(=O)CN2CCC[C@H]2c2ccco2)n(C)n1 ZINC000116296642 365049781 /nfs/dbraw/zinc/04/97/81/365049781.db2.gz ZATDWTGDLLUQIS-LBPRGKRZSA-N 1 0 288.351 2.097 10 0 CEAERO C[NH+](C)C[C@H]1CN(C(=O)c2cccc3ccccc32)CCO1 ZINC000116790390 365068620 /nfs/dbraw/zinc/06/86/20/365068620.db2.gz MNEMPYCTDQUAGY-HNNXBMFYSA-N 1 0 298.386 2.242 10 0 CEAERO C[C@@H]1C[C@@H]1NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115844595 365029279 /nfs/dbraw/zinc/02/92/79/365029279.db2.gz SZKXGRMTYXGGEX-YGRLFVJLSA-N 1 0 279.359 2.095 10 0 CEAERO CCc1nnc(C[N@@H+]2CCCC[C@@H]2C(C)C)n1C ZINC000117348231 365103977 /nfs/dbraw/zinc/10/39/77/365103977.db2.gz RDZZPQSBTTWKLU-GFCCVEGCSA-N 1 0 250.390 2.388 10 0 CEAERO C[C@H](C[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC000116876873 365076178 /nfs/dbraw/zinc/07/61/78/365076178.db2.gz YWJDLJIPOQMDFB-UKRRQHHQSA-N 1 0 260.381 2.343 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1ccccc1 ZINC000245415668 370816129 /nfs/dbraw/zinc/81/61/29/370816129.db2.gz DKZDISXCSKQCAG-HOTGVXAUSA-N 1 0 287.407 2.184 10 0 CEAERO COC(=O)c1ccc(CN2CC[N@@H+]3CCCC[C@@H]3C2)s1 ZINC000119313624 365252299 /nfs/dbraw/zinc/25/22/99/365252299.db2.gz IEYOQXOBQJPAKA-GFCCVEGCSA-N 1 0 294.420 2.205 10 0 CEAERO CC1CC(C(=O)NCC[C@H]([NH3+])Cc2ccccc2)C1 ZINC000638877070 370814681 /nfs/dbraw/zinc/81/46/81/370814681.db2.gz GGHVCRKKTRKIQJ-ZALBZXLWSA-N 1 0 260.381 2.109 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1csc(Cl)n1 ZINC000275512677 193064460 /nfs/dbraw/zinc/06/44/60/193064460.db2.gz IAUCNJTZVNASHD-VIFPVBQESA-N 1 0 287.816 2.353 10 0 CEAERO CCC1(CNC(=O)N2CC[C@@H]([NH+](C)C)C2)CCCC1 ZINC000119936057 365347815 /nfs/dbraw/zinc/34/78/15/365347815.db2.gz MMRXZCINIZXJDA-CYBMUJFWSA-N 1 0 267.417 2.302 10 0 CEAERO CCC1(CNC(=O)N2CC[C@H]([NH+](C)C)C2)CCCC1 ZINC000119935917 365348064 /nfs/dbraw/zinc/34/80/64/365348064.db2.gz MMRXZCINIZXJDA-ZDUSSCGKSA-N 1 0 267.417 2.302 10 0 CEAERO C[C@H]1CC[C@H](C(=O)N(CC[NH+](C)C)Cc2cccs2)O1 ZINC000120387722 365416745 /nfs/dbraw/zinc/41/67/45/365416745.db2.gz HSGHEKCPMIYHTA-GXTWGEPZSA-N 1 0 296.436 2.206 10 0 CEAERO C[C@@H]1C[C@@H]1NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000120325825 365408100 /nfs/dbraw/zinc/40/81/00/365408100.db2.gz RBZGSZGXXMRWGJ-BFJAYTPKSA-N 1 0 287.407 2.215 10 0 CEAERO CCC[C@H]1CCCN(Cc2nnnn2C(C)C)C1 ZINC000120903633 365491247 /nfs/dbraw/zinc/49/12/47/365491247.db2.gz WKAOTUPNEUTAEL-LBPRGKRZSA-N 1 0 251.378 2.266 10 0 CEAERO CCOCC[N@@H+]1CCN(Cc2cncs2)C[C@@H]1CC ZINC000120986868 365507744 /nfs/dbraw/zinc/50/77/44/365507744.db2.gz YVHPQQQOWKHPJY-ZDUSSCGKSA-N 1 0 283.441 2.076 10 0 CEAERO CCCN(c1nnc(C(F)(F)F)s1)[C@H]1CC[NH2+]C1 ZINC000160368936 366999952 /nfs/dbraw/zinc/99/99/52/366999952.db2.gz PQCLDIHOOCDYNC-ZETCQYMHSA-N 1 0 280.319 2.135 10 0 CEAERO CC[C@@](C)(O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000161872317 367118293 /nfs/dbraw/zinc/11/82/93/367118293.db2.gz CHRZCOALPZZKAP-IUODEOHRSA-N 1 0 286.416 2.089 10 0 CEAERO CC[C@@](C)(O)C[N@H+](C)CCOCc1ccccc1 ZINC000161522690 367093933 /nfs/dbraw/zinc/09/39/33/367093933.db2.gz JCCXBFAHMCFBBT-OAHLLOKOSA-N 1 0 251.370 2.296 10 0 CEAERO CCC[C@H](C(=O)NCc1cccc(COC)c1)[NH+](C)C ZINC000161599816 367100337 /nfs/dbraw/zinc/10/03/37/367100337.db2.gz FSEGEWMHNWXICZ-OAHLLOKOSA-N 1 0 278.396 2.180 10 0 CEAERO CCC[C@@H](C(=O)Nc1ccc2oc(=O)ccc2c1)[NH+](C)C ZINC000161696815 367106028 /nfs/dbraw/zinc/10/60/28/367106028.db2.gz DOYXXMUIIGEVFA-ZDUSSCGKSA-N 1 0 288.347 2.462 10 0 CEAERO C[C@@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@H](C)C1)c1cccs1 ZINC000245527658 370833507 /nfs/dbraw/zinc/83/35/07/370833507.db2.gz QDMAHKFJIPNBET-IJLUTSLNSA-N 1 0 282.409 2.035 10 0 CEAERO COc1cccc(CN2CC[N@@H+]3CCCC[C@H]3C2)c1OC ZINC000245554120 370839827 /nfs/dbraw/zinc/83/98/27/370839827.db2.gz GPAFWNXWCNOZHM-HNNXBMFYSA-N 1 0 290.407 2.374 10 0 CEAERO Cc1ccc([C@H](C)CNC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000162257963 367147204 /nfs/dbraw/zinc/14/72/04/367147204.db2.gz IADCUKUPNYZPNS-GDBMZVCRSA-N 1 0 289.423 2.444 10 0 CEAERO Cc1ccc(C)c(SCC(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000638885583 370819730 /nfs/dbraw/zinc/81/97/30/370819730.db2.gz OLEFCKNNGTYAKB-KGLIPLIRSA-N 1 0 292.448 2.449 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C[C@@H]1C=CCC1 ZINC000245436570 370820164 /nfs/dbraw/zinc/82/01/64/370820164.db2.gz VGEOWEXKVYXSAI-ZIAGYGMSSA-N 1 0 250.386 2.285 10 0 CEAERO Cc1cc(OCC(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)ccc1Cl ZINC000638885982 370820481 /nfs/dbraw/zinc/82/04/81/370820481.db2.gz 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QGRQKRMVJRIBFT-XHDPSFHLSA-N 1 0 292.354 2.088 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](C)c1c(C)noc1C ZINC000177001634 542242973 /nfs/dbraw/zinc/24/29/73/542242973.db2.gz ODMVVJWMYORQIQ-FZMZJTMJSA-N 1 0 293.411 2.338 10 0 CEAERO CCc1nn(C)cc1C[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000180052893 542260512 /nfs/dbraw/zinc/26/05/12/542260512.db2.gz KICKIOFSFFYLRB-HNNXBMFYSA-N 1 0 273.384 2.053 10 0 CEAERO CO[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C1(C)C ZINC000300413956 379169295 /nfs/dbraw/zinc/16/92/95/379169295.db2.gz GBSWLEWGZDWNMG-KIJLLGNVSA-N 1 0 253.386 2.203 10 0 CEAERO CC(C)CC[NH+]1CCN(c2ncncc2Cl)CC1 ZINC000302228304 379337762 /nfs/dbraw/zinc/33/77/62/379337762.db2.gz VJGZJYDLIFXTHU-UHFFFAOYSA-N 1 0 268.792 2.298 10 0 CEAERO COC(=O)c1cccnc1C[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC000302474558 379379336 /nfs/dbraw/zinc/37/93/36/379379336.db2.gz ZRXBCGBCSKGFTA-NEPJUHHUSA-N 1 0 262.353 2.489 10 0 CEAERO CO[C@H](C)c1nsc(N[C@H](C[NH3+])CC(C)C)n1 ZINC000302386935 379365195 /nfs/dbraw/zinc/36/51/95/379365195.db2.gz FKFYRSZABMQSSI-BDAKNGLRSA-N 1 0 258.391 2.031 10 0 CEAERO C[C@H]1C[C@@H](O)C[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000334745996 207006470 /nfs/dbraw/zinc/00/64/70/207006470.db2.gz MPQAZLFHWUGFLI-XJKSGUPXSA-N 1 0 271.364 2.075 10 0 CEAERO C[C@@H]([NH2+]CC(=O)NCCC1CCCCC1)[C@@H]1CCCO1 ZINC000183125671 542287678 /nfs/dbraw/zinc/28/76/78/542287678.db2.gz LGTLFNKFBLLOEF-HIFRSBDPSA-N 1 0 282.428 2.230 10 0 CEAERO C[C@H]([NH2+]CC(=O)N(C)CC1CCCCC1)[C@@H]1CCCO1 ZINC000183109705 542287773 /nfs/dbraw/zinc/28/77/73/542287773.db2.gz PDQLTLPHUDSPMI-ZFWWWQNUSA-N 1 0 282.428 2.182 10 0 CEAERO CC1(C)CN(C(=O)NC[C@H]2CCC(F)(F)C2)CC[C@H]1[NH3+] ZINC000334942230 207329825 /nfs/dbraw/zinc/32/98/25/207329825.db2.gz BFCZOXSNDDGHAP-WDEREUQCSA-N 1 0 289.370 2.191 10 0 CEAERO CC1(C)CN(C(=O)NC[C@@H]2CCC(F)(F)C2)CC[C@@H]1[NH3+] ZINC000334942228 207330685 /nfs/dbraw/zinc/33/06/85/207330685.db2.gz BFCZOXSNDDGHAP-MNOVXSKESA-N 1 0 289.370 2.191 10 0 CEAERO CC(C)[NH2+]Cc1ccccc1N(CCO)C(C)C ZINC000042480233 184553518 /nfs/dbraw/zinc/55/35/18/184553518.db2.gz LJEJJBDXDRFZDH-UHFFFAOYSA-N 1 0 250.386 2.392 10 0 CEAERO CC(C)C[C@@H](CNC(=O)c1ccc2[nH]cnc2c1)[NH+](C)C ZINC000040825357 184548873 /nfs/dbraw/zinc/54/88/73/184548873.db2.gz CJHHCAMCXVSLGY-ZDUSSCGKSA-N 1 0 288.395 2.269 10 0 CEAERO C[NH2+][C@H]1c2ccccc2CC[C@@H]1Sc1nc[nH]n1 ZINC000081850843 184597427 /nfs/dbraw/zinc/59/74/27/184597427.db2.gz HGMBAROOCIKDEB-RYUDHWBXSA-N 1 0 260.366 2.172 10 0 CEAERO CCC[NH2+][C@@](CO)(CN(C)[C@@H](C)CCC)C1CC1 ZINC000085240697 184608902 /nfs/dbraw/zinc/60/89/02/184608902.db2.gz JIRYHEUUFLWOLW-DZGCQCFKSA-N 1 0 256.434 2.248 10 0 CEAERO COC[C@H](C(C)C)n1c2c(nc1C(F)(F)F)C[NH2+]CC2 ZINC000086708478 184610058 /nfs/dbraw/zinc/61/00/58/184610058.db2.gz MYMHMHAPSLIDQW-LLVKDONJSA-N 1 0 291.317 2.391 10 0 CEAERO COc1ccc(C)cc1CO[C@]1(C[NH3+])CCCOC1 ZINC000086722234 184610425 /nfs/dbraw/zinc/61/04/25/184610425.db2.gz RRDKXSBENHBLTJ-HNNXBMFYSA-N 1 0 265.353 2.028 10 0 CEAERO CCN(c1ccccc1)S(=O)(=O)[C@@H](C)C[NH2+]C(C)C ZINC000088920990 184614134 /nfs/dbraw/zinc/61/41/34/184614134.db2.gz GPIUZEUQXJPQLJ-ZDUSSCGKSA-N 1 0 284.425 2.229 10 0 CEAERO CC[NH2+]Cc1cccc(CS(=O)(=O)N2CCC[C@@H]2C)c1 ZINC000088972637 184615543 /nfs/dbraw/zinc/61/55/43/184615543.db2.gz DPJIOWYWBUMYAD-ZDUSSCGKSA-N 1 0 296.436 2.110 10 0 CEAERO COCc1nc(C[NH2+][C@H]2CCS[C@H]2C)cs1 ZINC000381586086 542355362 /nfs/dbraw/zinc/35/53/62/542355362.db2.gz HOMNFYNSALAPSN-WPRPVWTQSA-N 1 0 258.412 2.273 10 0 CEAERO C[C@@H]1[NH2+]CC[C@H]1C(=O)OCc1cccc(Cl)c1 ZINC000092941112 184636111 /nfs/dbraw/zinc/63/61/11/184636111.db2.gz XWEGMACBSOBBRA-JOYOIKCWSA-N 1 0 253.729 2.381 10 0 CEAERO CCN(C(=O)[C@@H]1CC[NH2+][C@H]1C)c1cccc(F)c1 ZINC000092956379 184637692 /nfs/dbraw/zinc/63/76/92/184637692.db2.gz UAHZELSYGQEDPG-GXFFZTMASA-N 1 0 250.317 2.177 10 0 CEAERO CCn1ncnc1CC1(c2cccc(Cl)c2)C[NH2+]C1 ZINC000093196874 184654599 /nfs/dbraw/zinc/65/45/99/184654599.db2.gz KDYUZGGDPMXOAQ-UHFFFAOYSA-N 1 0 276.771 2.035 10 0 CEAERO CCOc1ccc(N[C@@H]2CC[C@H]([NH3+])C2)cc1OC ZINC000093206678 184655613 /nfs/dbraw/zinc/65/56/13/184655613.db2.gz BZRLUKADWYDMDM-WDEREUQCSA-N 1 0 250.342 2.386 10 0 CEAERO CCS(=O)(=O)CC[C@H](C[NH2+]C1CC1)c1ccc(F)cc1 ZINC000093152746 184651898 /nfs/dbraw/zinc/65/18/98/184651898.db2.gz HNBCOFUGXAJQLD-CYBMUJFWSA-N 1 0 299.411 2.486 10 0 CEAERO C[C@H]([NH3+])CCC(=O)N(C)[C@@H](C)Cc1cccs1 ZINC000093289011 184660750 /nfs/dbraw/zinc/66/07/50/184660750.db2.gz PUZFTWJXMFFOJN-QWRGUYRKSA-N 1 0 254.399 2.265 10 0 CEAERO [NH3+]Cc1c[nH]nc1-c1ccc(OCC(F)(F)F)cc1 ZINC000093295390 184661223 /nfs/dbraw/zinc/66/12/23/184661223.db2.gz PFMDEABJLWKBKO-UHFFFAOYSA-N 1 0 271.242 2.477 10 0 CEAERO [NH3+][C@H]1CCC[C@H](Nc2cccc(-c3nnco3)c2)C1 ZINC000093210583 184655959 /nfs/dbraw/zinc/65/59/59/184655959.db2.gz OVNXJCVBBKHPGA-AAEUAGOBSA-N 1 0 258.325 2.418 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](Nc2cnc(-c3ccccc3)nc2)C1 ZINC000093206821 184656067 /nfs/dbraw/zinc/65/60/67/184656067.db2.gz KRAPKVJSYWQNKR-CHWSQXEVSA-N 1 0 254.337 2.435 10 0 CEAERO CCS(=O)(=O)c1ccc(N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000093212067 184656112 /nfs/dbraw/zinc/65/61/12/184656112.db2.gz SGWXYEYOUKEPSI-AAEUAGOBSA-N 1 0 282.409 2.162 10 0 CEAERO CCS(=O)(=O)c1ccc(N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000093212069 184656143 /nfs/dbraw/zinc/65/61/43/184656143.db2.gz SGWXYEYOUKEPSI-YPMHNXCESA-N 1 0 282.409 2.162 10 0 CEAERO COCCOc1cccc(N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000093214855 184656340 /nfs/dbraw/zinc/65/63/40/184656340.db2.gz RFDGTRICQROXJF-CHWSQXEVSA-N 1 0 264.369 2.394 10 0 CEAERO CCc1nnc(CN2C[C@H]3CCC[N@H+]3C[C@H]2CC)s1 ZINC000392153280 542375517 /nfs/dbraw/zinc/37/55/17/542375517.db2.gz ZREHTNMDDYJUGH-VXGBXAGGSA-N 1 0 280.441 2.159 10 0 CEAERO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H](C)c1nnc2n1CCC2 ZINC000093515532 184686613 /nfs/dbraw/zinc/68/66/13/184686613.db2.gz HVPILNOIXDTSGV-RDBSUJKOSA-N 1 0 291.443 2.186 10 0 CEAERO CN1C(=[NH2+])NC[C@@]1(C)c1ccccc1C(F)(F)F ZINC000093357545 184667651 /nfs/dbraw/zinc/66/76/51/184667651.db2.gz WMZSAENMKHOQBI-NSHDSACASA-N 1 0 257.259 2.181 10 0 CEAERO CCCN1C(=[NH2+])NC[C@H]1c1ccc(OC)c(OC)c1Cl ZINC000093373143 184668200 /nfs/dbraw/zinc/66/82/00/184668200.db2.gz AWDXJCKOJNLBJE-JTQLQIEISA-N 1 0 297.786 2.439 10 0 CEAERO CCCN1C(=[NH2+])NC[C@@]1(C)Cc1ccc(OC)c(OC)c1 ZINC000093373285 184668317 /nfs/dbraw/zinc/66/83/17/184668317.db2.gz GQNIMUVSWFBPPU-MRXNPFEDSA-N 1 0 291.395 2.045 10 0 CEAERO COc1ccc(CC[C@]2(C)C[NH+]=C(N)N2C2CC2)cc1 ZINC000093373749 184668330 /nfs/dbraw/zinc/66/83/30/184668330.db2.gz QVBMMOLFHYLBDQ-MRXNPFEDSA-N 1 0 273.380 2.179 10 0 CEAERO Cc1cccc(N2C(N)=[NH+]C[C@@]23CCOC(C)(C)C3)c1 ZINC000093379689 184668890 /nfs/dbraw/zinc/66/88/90/184668890.db2.gz LPPCAJRKEKHNTN-INIZCTEOSA-N 1 0 273.380 2.458 10 0 CEAERO COC(C)(C)C[C@]1(C)C[NH+]=C(N)N1Cc1cccs1 ZINC000093392700 184670732 /nfs/dbraw/zinc/67/07/32/184670732.db2.gz KYXCPTQUEWDCST-CQSZACIVSA-N 1 0 281.425 2.452 10 0 CEAERO COC(=O)c1coc(C[NH2+]CC2C[C@H](C)O[C@@H](C)C2)c1 ZINC000281286478 195181343 /nfs/dbraw/zinc/18/13/43/195181343.db2.gz OTCFPOBJPXHYSS-QWRGUYRKSA-N 1 0 281.352 2.359 10 0 CEAERO CCC[NH2+][C@H](C)CCS(=O)(=O)c1cccc(OC)c1 ZINC000081923587 177897441 /nfs/dbraw/zinc/89/74/41/177897441.db2.gz XFVDICLVQZNGRV-GFCCVEGCSA-N 1 0 285.409 2.247 10 0 CEAERO CCC[NH2+][C@H]1CCC[C@@H]1S(=O)(=O)c1ccc(OC)cc1 ZINC000081923216 177896540 /nfs/dbraw/zinc/89/65/40/177896540.db2.gz CJEDJBBREGOBKU-GJZGRUSLSA-N 1 0 297.420 2.390 10 0 CEAERO CC[NH2+][C@H](CSCC(=O)OC)c1ccccc1 ZINC000081792922 177860960 /nfs/dbraw/zinc/86/09/60/177860960.db2.gz DYVPPQMLLCVOSM-GFCCVEGCSA-N 1 0 253.367 2.243 10 0 CEAERO Cc1csc(S[C@@H]2CC3(CC[C@H]2[NH3+])OCCO3)n1 ZINC000081870358 177869912 /nfs/dbraw/zinc/86/99/12/177869912.db2.gz JXYACMRWIHFRTG-NXEZZACHSA-N 1 0 286.422 2.167 10 0 CEAERO CCC[C@@H]1CC[C@H]([NH3+])[C@H](Sc2nnnn2C2CC2)C1 ZINC000081867730 177868263 /nfs/dbraw/zinc/86/82/63/177868263.db2.gz TZTVLJAVXSFCEI-ADEWGFFLSA-N 1 0 281.429 2.396 10 0 CEAERO Cc1ccc(C)c([C@H]([NH3+])CSc2nncn2C)c1 ZINC000081867106 177867351 /nfs/dbraw/zinc/86/73/51/177867351.db2.gz YJXHOSMDEAQYOQ-GFCCVEGCSA-N 1 0 262.382 2.224 10 0 CEAERO C[NH2+][C@H](CSc1nnnn1C)c1cccc2ccccc21 ZINC000081843999 177865942 /nfs/dbraw/zinc/86/59/42/177865942.db2.gz NHJMNHJVSSYXDY-CQSZACIVSA-N 1 0 299.403 2.416 10 0 CEAERO C[NH2+][C@@H](CSCCS(C)(=O)=O)c1ccc(C)cc1 ZINC000081768859 177855876 /nfs/dbraw/zinc/85/58/76/177855876.db2.gz PYMLYVARHLTKMF-ZDUSSCGKSA-N 1 0 287.450 2.033 10 0 CEAERO COCC[C@H](C)[NH2+]C[C@@H](O)c1ccc(F)cc1F ZINC000081714233 177843852 /nfs/dbraw/zinc/84/38/52/177843852.db2.gz GPMQMDZKIAEXDH-TVQRCGJNSA-N 1 0 259.296 2.013 10 0 CEAERO O[C@@H]1CCCC[C@H]1[N@@H+]1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000299744670 285314161 /nfs/dbraw/zinc/31/41/61/285314161.db2.gz UCNMLDLPQJEYAF-IAOVAPTHSA-N 1 0 289.423 2.312 10 0 CEAERO C[N@@H+]1CC[C@](O)(c2ccccc2CO)[C@@H](c2ccccc2)C1 ZINC000248090059 256691474 /nfs/dbraw/zinc/69/14/74/256691474.db2.gz VEFVMTWOCWGCAI-MOPGFXCFSA-N 1 0 297.398 2.486 10 0 CEAERO CC[C@H](C)NC(=O)CCNC1=[NH+][C@](C)(CC)CS1 ZINC000080884174 177722518 /nfs/dbraw/zinc/72/25/18/177722518.db2.gz VHMJGHHSPRRFCO-GXFFZTMASA-N 1 0 271.430 2.152 10 0 CEAERO CC(C)Cn1ccnc(OCC2([NH3+])CCCCCC2)c1=O ZINC000080901947 177725173 /nfs/dbraw/zinc/72/51/73/177725173.db2.gz NGUOGGRERLMXKA-UHFFFAOYSA-N 1 0 293.411 2.330 10 0 CEAERO CN(C)c1nnc(SC[C@@H](C[NH3+])c2ccccc2)s1 ZINC000080786049 177706856 /nfs/dbraw/zinc/70/68/56/177706856.db2.gz QFHGAGHYMZRZJX-LLVKDONJSA-N 1 0 294.449 2.439 10 0 CEAERO CC[C@@H](c1nccs1)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000080331816 177642990 /nfs/dbraw/zinc/64/29/90/177642990.db2.gz NQNMIWCYTAUUCI-RYUDHWBXSA-N 1 0 251.399 2.421 10 0 CEAERO C[NH2+][C@@](C)(CCCC[N@H+](CC1CC1)C1CC1)C(=O)[O-] ZINC000080372936 177647677 /nfs/dbraw/zinc/64/76/77/177647677.db2.gz HVDIEBWPHSKVTI-HNNXBMFYSA-N 1 0 268.401 2.094 10 0 CEAERO NC(=O)[C@@]1([NH2+]C2CC2)CC[C@@H](OCC2CCCCC2)C1 ZINC000093847297 184731872 /nfs/dbraw/zinc/73/18/72/184731872.db2.gz WSQYRUHKOCXCJW-GDBMZVCRSA-N 1 0 280.412 2.112 10 0 CEAERO CCC[NH2+][C@@]1(CO)CCC[C@@H]1CCn1cc(Cl)cn1 ZINC000093618830 184696880 /nfs/dbraw/zinc/69/68/80/184696880.db2.gz UDEWGDNZOZINFE-TZMCWYRMSA-N 1 0 285.819 2.457 10 0 CEAERO COCc1cccc(OCC[C@H]2CCC[C@@]2([NH3+])CO)c1 ZINC000093619476 184697265 /nfs/dbraw/zinc/69/72/65/184697265.db2.gz RGQVSOYSKLMBTD-GDBMZVCRSA-N 1 0 279.380 2.092 10 0 CEAERO CCC[NH2+][C@@]1(C(N)=O)CCC[C@H]1CCOC1CCCC1 ZINC000093621528 184697463 /nfs/dbraw/zinc/69/74/63/184697463.db2.gz XHMFIDHBMUJBRA-BBRMVZONSA-N 1 0 282.428 2.360 10 0 CEAERO OC[C@@]1([NH2+]C2CC2)CCC[C@H]1CCSc1ncccn1 ZINC000093622835 184697597 /nfs/dbraw/zinc/69/75/97/184697597.db2.gz GDOAFOZRJIMHSV-WFASDCNBSA-N 1 0 293.436 2.242 10 0 CEAERO C[NH2+][C@]1(CO)CCC[C@@H]1CCOc1ccc(F)c(F)c1 ZINC000093621825 184697778 /nfs/dbraw/zinc/69/77/78/184697778.db2.gz ZVMCLYDTTNTNAK-ABAIWWIYSA-N 1 0 285.334 2.484 10 0 CEAERO COc1ccc([S@@](=O)CC[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000093624399 184697878 /nfs/dbraw/zinc/69/78/78/184697878.db2.gz MRNQUTGHMIMYMU-KQYVJACZSA-N 1 0 267.394 2.320 10 0 CEAERO Cn1ccnc1SCC[C@@H]1CCC[C@]1(CO)[NH2+]C1CC1 ZINC000093623821 184697926 /nfs/dbraw/zinc/69/79/26/184697926.db2.gz WUUXYYFQWAQFII-SWLSCSKDSA-N 1 0 295.452 2.186 10 0 CEAERO Cc1nn(CC[C@@H]2CCC[C@@]2(O)C[NH3+])c(C)c1Cl ZINC000093627295 184698993 /nfs/dbraw/zinc/69/89/93/184698993.db2.gz GJMWSIAIDANIIL-WCQYABFASA-N 1 0 271.792 2.033 10 0 CEAERO CCn1c(C)cc(C[NH2+]CC(C)(C)N2CCOCC2)c1C ZINC000093693926 184707293 /nfs/dbraw/zinc/70/72/93/184707293.db2.gz IXTNSXBEAIPKJU-UHFFFAOYSA-N 1 0 293.455 2.325 10 0 CEAERO COC(=O)C(C)(C)COc1c(C)cc(C[NH3+])cc1C ZINC000093703229 184707882 /nfs/dbraw/zinc/70/78/82/184707882.db2.gz KLZSTHIVJVDVCS-UHFFFAOYSA-N 1 0 265.353 2.340 10 0 CEAERO CCC[NH2+]CC(C)(C)COc1c(C)nn(C)c1C ZINC000093727586 184709960 /nfs/dbraw/zinc/70/99/60/184709960.db2.gz GAXUSEXKQSHVQR-UHFFFAOYSA-N 1 0 253.390 2.442 10 0 CEAERO CC[NH2+][C@@]1(CO)CCC[C@@H](Sc2ncc(C)cn2)C1 ZINC000093787024 184722237 /nfs/dbraw/zinc/72/22/37/184722237.db2.gz DCMLMFVWJQYNQS-OCCSQVGLSA-N 1 0 281.425 2.160 10 0 CEAERO CC[NH2+][C@@H](c1ccc(OC)cc1)[C@H]1CN(C(C)C)CCO1 ZINC000093927946 184744736 /nfs/dbraw/zinc/74/47/36/184744736.db2.gz XBHTUNRBMKKPDN-SJORKVTESA-N 1 0 292.423 2.455 10 0 CEAERO CCN(CC1CC[NH2+]CC1)C(=O)c1ccc(F)cc1 ZINC000094022461 184750645 /nfs/dbraw/zinc/75/06/45/184750645.db2.gz MXWQRCBRPXGNRU-UHFFFAOYSA-N 1 0 264.344 2.287 10 0 CEAERO CCCN(CC1CC[NH2+]CC1)c1nc(C)cnc1C ZINC000094043840 184751970 /nfs/dbraw/zinc/75/19/70/184751970.db2.gz BPQUFTSAJPOILH-UHFFFAOYSA-N 1 0 262.401 2.309 10 0 CEAERO C[NH2+]C1CCC(O)([C@@H]2CCCc3cccnc32)CC1 ZINC000094140780 184755498 /nfs/dbraw/zinc/75/54/98/184755498.db2.gz UPKJNEWCLGWMCT-NPCAHTBFSA-N 1 0 260.381 2.395 10 0 CEAERO Cc1csc(C[C@@H]([NH3+])[C@H]2CCc3cccnc32)n1 ZINC000094117544 184755500 /nfs/dbraw/zinc/75/55/00/184755500.db2.gz XHMAUNXDYWWOSV-VXGBXAGGSA-N 1 0 259.378 2.446 10 0 CEAERO CCCCOCCOc1ccc(C[NH2+]CCOC)nc1 ZINC000094212490 184763566 /nfs/dbraw/zinc/76/35/66/184763566.db2.gz JPLYGNOGRINUAV-UHFFFAOYSA-N 1 0 282.384 2.013 10 0 CEAERO CCOC(=O)CS[C@@H]1CCCC(C)(C)[C@@H]1[NH2+]C ZINC000094283103 184774816 /nfs/dbraw/zinc/77/48/16/184774816.db2.gz HCJWLIULSCNIAN-ZYHUDNBSSA-N 1 0 259.415 2.449 10 0 CEAERO C[NH2+][C@H]1[C@H](S(=O)(=O)Cc2ccccc2)CCC1(C)C ZINC000094311118 184778617 /nfs/dbraw/zinc/77/86/17/184778617.db2.gz VBRBTKIINXJJMX-KGLIPLIRSA-N 1 0 281.421 2.378 10 0 CEAERO C[C@H]1CN(C(=O)c2cc(Cl)cn2C2CC2)CC[C@@H]1[NH3+] ZINC000094339848 184783854 /nfs/dbraw/zinc/78/38/54/184783854.db2.gz NNDNPVWJTCKMNY-CABZTGNLSA-N 1 0 281.787 2.286 10 0 CEAERO C[NH2+]Cc1cccc(O[C@H]2CCO[C@@]3(CCOC3)C2)c1 ZINC000094363689 184789231 /nfs/dbraw/zinc/78/92/31/184789231.db2.gz ASGQWSJOPXLCIV-HOTGVXAUSA-N 1 0 277.364 2.123 10 0 CEAERO CCCN(C1C[NH2+]C1)[C@@H]1CCOC2(CCCC2)C1 ZINC000094384555 184792179 /nfs/dbraw/zinc/79/21/79/184792179.db2.gz LQIRKHYPLYTRHO-CYBMUJFWSA-N 1 0 252.402 2.162 10 0 CEAERO [NH3+]C1([C@H]2CCO[C@@]3(CCOC3)C2)Cc2ccccc2C1 ZINC000094390249 184793057 /nfs/dbraw/zinc/79/30/57/184793057.db2.gz JXUSBAUPYSPSRE-HOTGVXAUSA-N 1 0 273.376 2.068 10 0 CEAERO COC(=O)C1CC[NH+]([C@H]2CCOC3(CCCC3)C2)CC1 ZINC000094410503 184794525 /nfs/dbraw/zinc/79/45/25/184794525.db2.gz BNTKKENPEJDICJ-AWEZNQCLSA-N 1 0 281.396 2.363 10 0 CEAERO CCC[NH2+]Cc1cnn([C@H]2CCOC3(CCOCC3)C2)c1 ZINC000094412531 184794763 /nfs/dbraw/zinc/79/47/63/184794763.db2.gz YTUQWPFQFKGVEN-HNNXBMFYSA-N 1 0 293.411 2.283 10 0 CEAERO CC(C)C[NH2+]Cc1ccn([C@H]2CCO[C@]3(CCOC3)C2)n1 ZINC000094414787 184794870 /nfs/dbraw/zinc/79/48/70/184794870.db2.gz QKRZONJEGCGHLY-JKSUJKDBSA-N 1 0 293.411 2.139 10 0 CEAERO CCn1ncnc1CN1CC(C)(C)[NH2+]Cc2ccccc21 ZINC000094420949 184795581 /nfs/dbraw/zinc/79/55/81/184795581.db2.gz RIXIGWCJHQVJAL-UHFFFAOYSA-N 1 0 285.395 2.186 10 0 CEAERO CN(C)c1ccc2[nH]c([C@@H]3CCCCC[C@@H]3[NH3+])nc2n1 ZINC000094745989 184851454 /nfs/dbraw/zinc/85/14/54/184851454.db2.gz WWOJQMDPOFVBHD-MNOVXSKESA-N 1 0 273.384 2.351 10 0 CEAERO C[C@H](NC(=O)[C@H]1CCCCC[C@@H]1[NH3+])c1ccncc1 ZINC000094749879 184852024 /nfs/dbraw/zinc/85/20/24/184852024.db2.gz YEJQKVPOYXROCV-UBHSHLNASA-N 1 0 261.369 2.166 10 0 CEAERO [NH3+][C@H]1CCCCC[C@@H]1C(=O)Nc1cccc2c[nH]nc21 ZINC000094750836 184852928 /nfs/dbraw/zinc/85/29/28/184852928.db2.gz ZAAQVQQUSRTGDR-RYUDHWBXSA-N 1 0 272.352 2.409 10 0 CEAERO [NH3+][C@H]1CCCCC[C@@H]1C(=O)NCc1ccc(F)c(F)c1 ZINC000094752959 184853302 /nfs/dbraw/zinc/85/33/02/184853302.db2.gz VRUXLHXAGNWLEN-FZMZJTMJSA-N 1 0 282.334 2.489 10 0 CEAERO Cc1cc(Sc2nncn2C)c([C@H](C)[NH3+])cc1F ZINC000094768270 184858160 /nfs/dbraw/zinc/85/81/60/184858160.db2.gz JCFMGCBBZOHCID-QMMMGPOBSA-N 1 0 266.345 2.434 10 0 CEAERO CC[C@H](c1nc([C@@]2(C)CCCO2)no1)[C@@H](C)[NH2+]C ZINC000094785943 184864046 /nfs/dbraw/zinc/86/40/46/184864046.db2.gz TWNSZXNXSVGHDS-GBIKHYSHSA-N 1 0 253.346 2.197 10 0 CEAERO C[C@H]1C[C@@H]([NH3+])CN(Cc2csc(-c3ccccn3)n2)C1 ZINC000094551280 184817035 /nfs/dbraw/zinc/81/70/35/184817035.db2.gz HGKACIZQXYPKFF-NWDGAFQWSA-N 1 0 288.420 2.374 10 0 CEAERO [NH3+]C[C@H]1CC[C@@H](C(=O)N(Cc2ccco2)C2CCCC2)O1 ZINC000094568192 184819709 /nfs/dbraw/zinc/81/97/09/184819709.db2.gz GGHKADJPDWITFC-HIFRSBDPSA-N 1 0 292.379 2.057 10 0 CEAERO Cc1ccc2nc(N(CC3CC[NH2+]CC3)C3CC3)nn2c1 ZINC000094609264 184825751 /nfs/dbraw/zinc/82/57/51/184825751.db2.gz BZYDOARICTVKSV-UHFFFAOYSA-N 1 0 285.395 2.006 10 0 CEAERO CC1([NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)CCCC1 ZINC000094635437 184831740 /nfs/dbraw/zinc/83/17/40/184831740.db2.gz IPMPOOVIUCFTLB-RYUDHWBXSA-N 1 0 259.415 2.265 10 0 CEAERO CC1(C)CCC[C@]1([NH3+])[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094640329 184832281 /nfs/dbraw/zinc/83/22/81/184832281.db2.gz IUBXTXJQDSAOPC-DYEKYZERSA-N 1 0 273.442 2.497 10 0 CEAERO COc1cc(OC)cc([C@@H]([NH3+])C[C@H]2CCCO2)c1 ZINC000094650854 184834878 /nfs/dbraw/zinc/83/48/78/184834878.db2.gz DKOSXIJWMRLTNC-RISCZKNCSA-N 1 0 251.326 2.273 10 0 CEAERO COCC[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)cc1OC ZINC000094656668 184836066 /nfs/dbraw/zinc/83/60/66/184836066.db2.gz KRRNSDFKTJYJFP-NEPJUHHUSA-N 1 0 267.369 2.432 10 0 CEAERO COC(=O)c1cc(F)ccc1NC(=O)[C@H](C[NH3+])CC(C)C ZINC000094698079 184841598 /nfs/dbraw/zinc/84/15/98/184841598.db2.gz WMNCKIAGVVXUCL-JTQLQIEISA-N 1 0 296.342 2.172 10 0 CEAERO COc1ccc(NC(=O)[C@H](C[NH3+])CC(C)C)cc1 ZINC000094696582 184841798 /nfs/dbraw/zinc/84/17/98/184841798.db2.gz SZGNZWHRLRCYIE-NSHDSACASA-N 1 0 250.342 2.255 10 0 CEAERO COc1ccc([C@@H](C)NC(=O)[C@H](C[NH3+])CC(C)C)cc1 ZINC000094700900 184842242 /nfs/dbraw/zinc/84/22/42/184842242.db2.gz LCFKIEWHJXRTSL-OCCSQVGLSA-N 1 0 278.396 2.493 10 0 CEAERO CC(C)C[C@@H](C[NH3+])C(=O)NCCc1cc(F)cc(F)c1 ZINC000094700096 184842558 /nfs/dbraw/zinc/84/25/58/184842558.db2.gz WASZEZHOEKNWPW-LBPRGKRZSA-N 1 0 284.350 2.245 10 0 CEAERO [NH3+][C@H]1CC[C@@H]2CN(C(=O)Cc3cccc(F)c3F)C[C@@H]2C1 ZINC000094713500 184845625 /nfs/dbraw/zinc/84/56/25/184845625.db2.gz HPHFFONZFWCQNB-AGIUHOORSA-N 1 0 294.345 2.093 10 0 CEAERO C[C@@H]1CC[C@@H](CNC(=O)Cc2cccc(F)c2F)C[NH2+]1 ZINC000094712175 184845841 /nfs/dbraw/zinc/84/58/41/184845841.db2.gz DAYBYBLNJUQJSY-GHMZBOCLSA-N 1 0 282.334 2.012 10 0 CEAERO CC[NH2+][C@@H](C)[C@H]1CCCCN1Cc1cccnc1OC ZINC000095005537 184912895 /nfs/dbraw/zinc/91/28/95/184912895.db2.gz HQEXUXJXEQHJCB-DZGCQCFKSA-N 1 0 277.412 2.443 10 0 CEAERO Clc1nccnc1COCCCC1CC[NH2+]CC1 ZINC000095070401 184932384 /nfs/dbraw/zinc/93/23/84/184932384.db2.gz MZNGFNNCHFWLBM-UHFFFAOYSA-N 1 0 269.776 2.426 10 0 CEAERO CN(Cc1ccnc(Br)c1)C[C@H]1CCCC[NH2+]1 ZINC000095070865 184932961 /nfs/dbraw/zinc/93/29/61/184932961.db2.gz NQORAHWWGQRAHL-GFCCVEGCSA-N 1 0 298.228 2.418 10 0 CEAERO COc1ccc(F)c(N2CCC[NH2+]C[C@@H](C)C2)c1 ZINC000094856631 184881569 /nfs/dbraw/zinc/88/15/69/184881569.db2.gz JYGLVVQQFCERFW-LLVKDONJSA-N 1 0 252.333 2.270 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1cc(OC)ccc1F ZINC000094855391 184882140 /nfs/dbraw/zinc/88/21/40/184882140.db2.gz LVEPVSMGKLCXLA-SECBINFHSA-N 1 0 254.305 2.161 10 0 CEAERO CC(C)CC1(C[NH2+][C@@H]2CCS(=O)(=O)C2)CCCC1 ZINC000094873693 184885570 /nfs/dbraw/zinc/88/55/70/184885570.db2.gz NGQCUNHYHKFZCF-CYBMUJFWSA-N 1 0 273.442 2.370 10 0 CEAERO Cc1cscc1CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000094877204 184886368 /nfs/dbraw/zinc/88/63/68/184886368.db2.gz XWWNCUDVCKZYEX-NSHDSACASA-N 1 0 252.383 2.062 10 0 CEAERO CCc1ccsc1CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000094877083 184886590 /nfs/dbraw/zinc/88/65/90/184886590.db2.gz QBNOZWPTKBZSMH-CQSZACIVSA-N 1 0 266.410 2.316 10 0 CEAERO Cc1cc(CNC(=O)[C@]2(C)CCC[NH2+]C2)cc(C)c1F ZINC000094894613 184889164 /nfs/dbraw/zinc/88/91/64/184889164.db2.gz WZRXGIMDSHBQJB-MRXNPFEDSA-N 1 0 278.371 2.448 10 0 CEAERO Cc1ccc(C(=O)N2[C@@H](C[NH3+])CCC[C@@H]2C)c(F)c1 ZINC000094919153 184892909 /nfs/dbraw/zinc/89/29/09/184892909.db2.gz NTUYPUMHIXCZMR-NWDGAFQWSA-N 1 0 264.344 2.476 10 0 CEAERO COc1ccc(N2C(N)=[NH+]C[C@]2(C)C2(C)CC2)cc1 ZINC000094955313 184902561 /nfs/dbraw/zinc/90/25/61/184902561.db2.gz OZNYLGBQICUGTL-OAHLLOKOSA-N 1 0 259.353 2.389 10 0 CEAERO CC[C@@H](CC[NH3+])CNC(=O)Nc1cccc(OC)c1 ZINC000094962226 184906103 /nfs/dbraw/zinc/90/61/03/184906103.db2.gz DEEFENLXRSXAQV-NSHDSACASA-N 1 0 265.357 2.192 10 0 CEAERO O[C@H]1CCCC[C@H]1N1CC[NH+](CC2CCCCC2)CC1 ZINC000305444957 285363399 /nfs/dbraw/zinc/36/33/99/285363399.db2.gz OTHYPRFQFWMERJ-SJORKVTESA-N 1 0 280.456 2.488 10 0 CEAERO C(CN1CC[N@@H+]2CCCC[C@H]2C1)OCC1CCCC1 ZINC000313704696 533360799 /nfs/dbraw/zinc/36/07/99/533360799.db2.gz OJLOJOOEEWSFFF-INIZCTEOSA-N 1 0 266.429 2.363 10 0 CEAERO c1ccc2nc(N3CC[C@@H]4C[NH2+]C[C@H]4C3)ccc2c1 ZINC000261607302 285530123 /nfs/dbraw/zinc/53/01/23/285530123.db2.gz RQYOKDLLNRZGBR-KGLIPLIRSA-N 1 0 253.349 2.281 10 0 CEAERO CCC[NH2+]C[C@@H]1CCCCN1c1cncc(OCC)n1 ZINC000071176885 134959991 /nfs/dbraw/zinc/95/99/91/134959991.db2.gz JOUFDNSOTNEXTK-ZDUSSCGKSA-N 1 0 278.400 2.234 10 0 CEAERO C[C@H]1C[NH2+]CCN1c1ccc(Br)c(F)c1 ZINC000083536297 135027106 /nfs/dbraw/zinc/02/71/06/135027106.db2.gz ZAMGPERUIDEXRH-QMMMGPOBSA-N 1 0 273.149 2.386 10 0 CEAERO CC(C)[NH2+][C@H](CO)CCN1CCCc2ccccc21 ZINC000085238999 135035641 /nfs/dbraw/zinc/03/56/41/135035641.db2.gz IUWQWECBYAGMMU-HNNXBMFYSA-N 1 0 262.397 2.188 10 0 CEAERO C[C@@](O)(C[NH3+])CCCCN1CCCc2ccccc21 ZINC000085304219 135036098 /nfs/dbraw/zinc/03/60/98/135036098.db2.gz QEQZAIKGVHCBKZ-INIZCTEOSA-N 1 0 262.397 2.319 10 0 CEAERO COCc1cccc(N2C[C@@H](C3CC3)[NH2+]C[C@@H]2C)c1 ZINC000086225905 135039696 /nfs/dbraw/zinc/03/96/96/135039696.db2.gz YPPYUHXWINOPDM-LRDDRELGSA-N 1 0 260.381 2.410 10 0 CEAERO c1nc2c(c(N3CC[NH2+]CC34CCCCC4)n1)CCC2 ZINC000088396596 135054044 /nfs/dbraw/zinc/05/40/44/135054044.db2.gz SMEANODFIVCTOG-UHFFFAOYSA-N 1 0 272.396 2.078 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCCN1c1c(F)cc(F)cc1F ZINC000088724123 135056450 /nfs/dbraw/zinc/05/64/50/135056450.db2.gz SSRQWEHHRXCROL-GFCCVEGCSA-N 1 0 284.281 2.351 10 0 CEAERO C[C@@H]1CC[C@@H](C)N(c2ccc(C[NH2+]C3CC3)nn2)C1 ZINC000088710958 135056558 /nfs/dbraw/zinc/05/65/58/135056558.db2.gz IFJZAKXCVQDDEL-VXGBXAGGSA-N 1 0 260.385 2.353 10 0 CEAERO CCc1cc(N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)nc(C)n1 ZINC000088760614 135056919 /nfs/dbraw/zinc/05/69/19/135056919.db2.gz WYPJXWMLKUZZOZ-LSDHHAIUSA-N 1 0 274.412 2.458 10 0 CEAERO CCc1cc(N2CCC[C@@H](C[NH2+]C3CC3)C2)nc(C)n1 ZINC000088760890 135057064 /nfs/dbraw/zinc/05/70/64/135057064.db2.gz WLDJNQOMHJYIJB-ZDUSSCGKSA-N 1 0 274.412 2.316 10 0 CEAERO CCC[NH2+]CCS(=O)(=O)N1C[C@H](C)Cc2ccccc21 ZINC000089036067 135057680 /nfs/dbraw/zinc/05/76/80/135057680.db2.gz WJXFQNHADHECNG-CYBMUJFWSA-N 1 0 296.436 2.015 10 0 CEAERO Cc1cccc(N2CCN([C@@H]3C[NH2+]CC[C@H]3C)CC2)c1C ZINC000090695463 135064140 /nfs/dbraw/zinc/06/41/40/135064140.db2.gz OUIJXKCYSUKWTA-CRAIPNDOSA-N 1 0 287.451 2.423 10 0 CEAERO CCC[NH2+]C[C@@H]1CCCN(c2cc(OC)nc(C)n2)C1 ZINC000090787314 135064821 /nfs/dbraw/zinc/06/48/21/135064821.db2.gz ZWJQDYMDPQSJPS-ZDUSSCGKSA-N 1 0 278.400 2.010 10 0 CEAERO CC(C)[NH2+]C[C@@H]1CCCN(c2cc(OC(C)C)ncn2)C1 ZINC000090786093 135064885 /nfs/dbraw/zinc/06/48/85/135064885.db2.gz MXZMJCGVCNCFTD-AWEZNQCLSA-N 1 0 292.427 2.478 10 0 CEAERO CCCOc1cc(N2CCC[C@@H](C[NH2+]C(C)C)C2)ncn1 ZINC000090785175 135065061 /nfs/dbraw/zinc/06/50/61/135065061.db2.gz GMCXDQLRTUJHBF-AWEZNQCLSA-N 1 0 292.427 2.480 10 0 CEAERO [NH3+]Cc1c(Cl)cccc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905336 135065933 /nfs/dbraw/zinc/06/59/33/135065933.db2.gz MHSTXNXOAVECTP-AOOOYVTPSA-N 1 0 252.745 2.166 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(c2c(F)cc(C=O)cc2F)C1 ZINC000091392083 135068213 /nfs/dbraw/zinc/06/82/13/135068213.db2.gz OZJUCRKSDRTMGZ-LLVKDONJSA-N 1 0 268.307 2.308 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(c2cccc(Cl)c2CO)C1 ZINC000091391570 135068395 /nfs/dbraw/zinc/06/83/95/135068395.db2.gz AMRDVXRJFUGRDS-LLVKDONJSA-N 1 0 268.788 2.363 10 0 CEAERO C[NH+](C)[C@H]1CCCN(c2ccc3cc(N)ccc3n2)C1 ZINC000091395223 135069104 /nfs/dbraw/zinc/06/91/04/135069104.db2.gz YXNBXJOBQRFHLQ-AWEZNQCLSA-N 1 0 270.380 2.347 10 0 CEAERO CC[C@H]1CO[C@@H](C)CN1c1cncc(C[NH2+]C(C)(C)C)n1 ZINC000091420724 135069483 /nfs/dbraw/zinc/06/94/83/135069483.db2.gz TYQNVQJJWSCUMT-JSGCOSHPSA-N 1 0 292.427 2.368 10 0 CEAERO Cc1ccc2c(c1)CCCN2C(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092201678 135075728 /nfs/dbraw/zinc/07/57/28/135075728.db2.gz FWVYPBHJQVFNQR-UONOGXRCSA-N 1 0 256.349 2.178 10 0 CEAERO C[C@H]1[NH2+]CC[C@@H]1CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000092957722 135077689 /nfs/dbraw/zinc/07/76/89/135077689.db2.gz LDDFOMIKJXNFFY-ZIAGYGMSSA-N 1 0 293.842 2.460 10 0 CEAERO COC(=O)[C@H](C)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000093036296 135078363 /nfs/dbraw/zinc/07/83/63/135078363.db2.gz ZUVUDXBQJWMYOM-OLZOCXBDSA-N 1 0 294.370 2.145 10 0 CEAERO COC(=O)[C@H](C)[C@H](C)[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000093036261 135078446 /nfs/dbraw/zinc/07/84/46/135078446.db2.gz LDMKKGXILAFFBU-CABCVRRESA-N 1 0 290.407 2.315 10 0 CEAERO C[NH2+]C[C@@H](C)[C@H](C)N1CCN(c2ccccc2OC)CC1 ZINC000093068599 135078838 /nfs/dbraw/zinc/07/88/38/135078838.db2.gz NSXMVKVPKOQDGX-CABCVRRESA-N 1 0 291.439 2.061 10 0 CEAERO [NH3+]CC1CCC(C(=O)N2CCOc3ccccc32)CC1 ZINC000093425577 135080809 /nfs/dbraw/zinc/08/08/09/135080809.db2.gz LATVBWMWGRTNHM-UHFFFAOYSA-N 1 0 274.364 2.177 10 0 CEAERO C[NH2+][C@H](c1ccc2c(c1)CCC(=O)N2C)[C@H]1CCO[C@@H]1C ZINC000094177068 135083895 /nfs/dbraw/zinc/08/38/95/135083895.db2.gz IKHGUGCREQQZQT-HYSWKAIVSA-N 1 0 288.391 2.281 10 0 CEAERO Nc1ccc(N2CC[N@@H+]3CCCC[C@@H]3C2)c2ccncc12 ZINC000094439052 135087866 /nfs/dbraw/zinc/08/78/66/135087866.db2.gz HFALUBUOOCZQHV-CYBMUJFWSA-N 1 0 282.391 2.492 10 0 CEAERO C[C@H](CC[NH2+][C@@H]1CCO[C@H]1C)NC(=O)OC(C)(C)C ZINC000300206667 394454199 /nfs/dbraw/zinc/45/41/99/394454199.db2.gz ZXBYWHKXBSPJKV-GRYCIOLGSA-N 1 0 272.389 2.057 10 0 CEAERO CC(C)N1C[C@@H](c2ccccc2)C2(CC[NH2+]CC2)C1=O ZINC000044137443 394505989 /nfs/dbraw/zinc/50/59/89/394505989.db2.gz IRDZOTDFHMHRBZ-HNNXBMFYSA-N 1 0 272.392 2.391 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)Cc2cccc(F)c2)C1 ZINC000052593280 394558265 /nfs/dbraw/zinc/55/82/65/394558265.db2.gz CSZQICIHBDYQBX-OAHLLOKOSA-N 1 0 293.386 2.451 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc3c2CCCN3)C1 ZINC000061412287 394568149 /nfs/dbraw/zinc/56/81/49/394568149.db2.gz MFPLGSQPPIUXRW-CYBMUJFWSA-N 1 0 287.407 2.259 10 0 CEAERO COC(=O)[C@@H]1CCC[N@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000252787535 394574283 /nfs/dbraw/zinc/57/42/83/394574283.db2.gz AVYGACNQZYEANI-ZIAGYGMSSA-N 1 0 289.375 2.438 10 0 CEAERO CC(=O)c1cccc(NC(=O)N(C)C[C@H]2CC[N@H+](C)C2)c1 ZINC000071193040 394588100 /nfs/dbraw/zinc/58/81/00/394588100.db2.gz MABVNZOXBVZGBI-ZDUSSCGKSA-N 1 0 289.379 2.305 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cccc(F)c2)C1 ZINC000048769241 394528661 /nfs/dbraw/zinc/52/86/61/394528661.db2.gz OMKNDBFZHZOYKK-CYBMUJFWSA-N 1 0 265.332 2.432 10 0 CEAERO C[C@@H]1CN(c2ncnc3sccc32)C[C@@]1(C)C[NH3+] ZINC000311225308 394536874 /nfs/dbraw/zinc/53/68/74/394536874.db2.gz WUIKBSOKKUBBAT-NOZJJQNGSA-N 1 0 262.382 2.112 10 0 CEAERO CO[C@@H](C)C[N@@H+]1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000248432186 394540605 /nfs/dbraw/zinc/54/06/05/394540605.db2.gz QGBOSHYIJFGFOQ-KBPBESRZSA-N 1 0 263.385 2.159 10 0 CEAERO Cc1cnc(CNC(=O)N[C@H](CC(C)C)C[NH+](C)C)s1 ZINC000073722494 394605084 /nfs/dbraw/zinc/60/50/84/394605084.db2.gz OWGIVLDRSIPEMZ-GFCCVEGCSA-N 1 0 298.456 2.227 10 0 CEAERO Cc1csc([C@@H]2CCCCN2C(=O)C[C@H](C)[NH3+])n1 ZINC000261687927 394605887 /nfs/dbraw/zinc/60/58/87/394605887.db2.gz BWDSZKVEVCFOOA-ONGXEEELSA-N 1 0 267.398 2.242 10 0 CEAERO [NH3+][C@H](Cc1ccccc1)[C@H]1COc2ccccc2O1 ZINC000083743767 394640552 /nfs/dbraw/zinc/64/05/52/394640552.db2.gz OZEIVVGWKVKARW-CZUORRHYSA-N 1 0 255.317 2.396 10 0 CEAERO COC[C@H](C)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000103431834 394715424 /nfs/dbraw/zinc/71/54/24/394715424.db2.gz GLEPAAUERSFFTI-MJBXVCDLSA-N 1 0 284.444 2.142 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(F)cn1 ZINC000122841876 394818558 /nfs/dbraw/zinc/81/85/58/394818558.db2.gz GTWBFEFUNVZZNO-CYBMUJFWSA-N 1 0 294.374 2.463 10 0 CEAERO CC[C@](C)(O)CN1CC[NH+](C2CCC(C)CC2)CC1 ZINC000123598211 394828621 /nfs/dbraw/zinc/82/86/21/394828621.db2.gz PRKSYVPTLYIMCB-GPANFISMSA-N 1 0 268.445 2.344 10 0 CEAERO Cc1cc([C@H](C)[NH2+][C@H]2CCC(=O)N[C@H]2C)c(C)o1 ZINC000282485839 394920314 /nfs/dbraw/zinc/92/03/14/394920314.db2.gz XEPZQZRVTOTSFB-KWBADKCTSA-N 1 0 250.342 2.214 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H]2CC=CCC2)C1 ZINC000155339798 395027642 /nfs/dbraw/zinc/02/76/42/395027642.db2.gz KREOJHJMJUERJY-RDBSUJKOSA-N 1 0 250.386 2.188 10 0 CEAERO CCOC(=O)CCCC[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152295408 394992555 /nfs/dbraw/zinc/99/25/55/394992555.db2.gz SMTSJVHBMKAKTR-OAHLLOKOSA-N 1 0 292.379 2.268 10 0 CEAERO Cc1nccn1CCCC[N@H+]1[C@H](C)COC[C@@H]1C ZINC000162014155 395069501 /nfs/dbraw/zinc/06/95/01/395069501.db2.gz KYGSDIHMBUEUIG-BETUJISGSA-N 1 0 251.374 2.081 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[C@@]23CCCc2ccccc23)C1 ZINC000175980279 395136040 /nfs/dbraw/zinc/13/60/40/395136040.db2.gz XHSIMQQVCMTRHS-SZVBFZGTSA-N 1 0 298.430 2.443 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1cccn1Cc1ccccc1 ZINC000380906339 395169680 /nfs/dbraw/zinc/16/96/80/395169680.db2.gz GQCHNPYMJMDOMP-HIFRSBDPSA-N 1 0 283.375 2.098 10 0 CEAERO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)cc1 ZINC000398802921 395238325 /nfs/dbraw/zinc/23/83/25/395238325.db2.gz RVUAIXWSTNTMCY-RRFJBIMHSA-N 1 0 261.365 2.288 10 0 CEAERO O[C@@H]1CC[C@H]2C[N@H+](CCOc3ccccc3)C[C@@H]2C1 ZINC000398818655 395238494 /nfs/dbraw/zinc/23/84/94/395238494.db2.gz XXBFFZAGCYWROD-SOUVJXGZSA-N 1 0 261.365 2.158 10 0 CEAERO Cc1noc(C)c1[C@H](C)CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179247466 395187369 /nfs/dbraw/zinc/18/73/69/395187369.db2.gz JILOEZTWGXGTFQ-BXUZGUMPSA-N 1 0 291.395 2.092 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)CCOCc1ccccc1 ZINC000384065889 395188784 /nfs/dbraw/zinc/18/87/84/395188784.db2.gz HXJIYBAAIYZZCI-HNNXBMFYSA-N 1 0 278.396 2.035 10 0 CEAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H]1CCCc3occc31)CC2 ZINC000192984185 395398156 /nfs/dbraw/zinc/39/81/56/395398156.db2.gz XXHNPZDHIBNGPH-YPMHNXCESA-N 1 0 286.379 2.416 10 0 CEAERO C[C@@H](C[NH2+][C@H]1CCCNc2ccccc21)N1CCOCC1 ZINC000192634708 395388540 /nfs/dbraw/zinc/38/85/40/395388540.db2.gz VSUKXFGEEVBEQU-YOEHRIQHSA-N 1 0 289.423 2.244 10 0 CEAERO CCC1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000195131281 395459876 /nfs/dbraw/zinc/45/98/76/395459876.db2.gz IGCKNSFTXFYNNL-RUXDESIVSA-N 1 0 267.417 2.349 10 0 CEAERO CCCCOC[C@@H](O)C[N@H+](C)Cc1ccc(OC)c(O)c1 ZINC000195182807 395461471 /nfs/dbraw/zinc/46/14/71/395461471.db2.gz IVKZRLLDRIPRSP-AWEZNQCLSA-N 1 0 297.395 2.010 10 0 CEAERO Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)c(Br)c1 ZINC000235341427 292067091 /nfs/dbraw/zinc/06/70/91/292067091.db2.gz XROMCGHARCTACQ-BXKDBHETSA-N 1 0 297.196 2.177 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccccc2OC)C1 ZINC000048768880 400210779 /nfs/dbraw/zinc/21/07/79/400210779.db2.gz LMAJYWXMAMHUTH-LBPRGKRZSA-N 1 0 277.368 2.301 10 0 CEAERO O[C@@H]1CCC[C@H](C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)C1 ZINC000385294391 400521827 /nfs/dbraw/zinc/52/18/27/400521827.db2.gz QFMLICMZYWCZHM-LJISPDSOSA-N 1 0 253.386 2.181 10 0 CEAERO C[C@@H](COCc1ccccc1)[NH2+]CC1(O)CCCC1 ZINC000390702068 400540746 /nfs/dbraw/zinc/54/07/46/400540746.db2.gz MREPZQSZGWEUKF-AWEZNQCLSA-N 1 0 263.381 2.486 10 0 CEAERO CCc1nc(CN(C)C(=O)[C@H]2CCC[NH2+][C@@H]2C)cs1 ZINC000395253297 400555007 /nfs/dbraw/zinc/55/50/07/400555007.db2.gz ONIWLQADENOAFO-PWSUYJOCSA-N 1 0 281.425 2.052 10 0 CEAERO CC(C)[C@@H](O)CC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000157191106 289209818 /nfs/dbraw/zinc/20/98/18/289209818.db2.gz NSVROYFVSTZQRX-KFWWJZLASA-N 1 0 298.471 2.266 10 0 CEAERO Cc1cnc(CC[N@@H+](C)C[C@@H](O)COC(C)(C)C)s1 ZINC000157833992 289222867 /nfs/dbraw/zinc/22/28/67/289222867.db2.gz XICUTVSOIKTZMR-GFCCVEGCSA-N 1 0 286.441 2.102 10 0 CEAERO Fc1ccc(Cl)c(CN2CC[C@@H]3OCC[NH2+][C@@H]3C2)c1 ZINC000404280000 289291842 /nfs/dbraw/zinc/29/18/42/289291842.db2.gz VBPWEHKDRAGOEC-KGLIPLIRSA-N 1 0 284.762 2.042 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]CCCOC(F)F)C12CCOCC2 ZINC000194024070 286280720 /nfs/dbraw/zinc/28/07/20/286280720.db2.gz HITFLGPXEGGIIS-VXGBXAGGSA-N 1 0 293.354 2.180 10 0 CEAERO CC(C)OC1CC([NH2+][C@@H]2CCc3nc(C(C)C)nn3C2)C1 ZINC000189531997 153097564 /nfs/dbraw/zinc/09/75/64/153097564.db2.gz BLSVHOYPJOGKOU-IYXRBSQSSA-N 1 0 292.427 2.262 10 0 CEAERO Cc1cncc(C[N@H+]2CCC[C@@H]2c2cnn(C)c2)c1 ZINC000189868867 153110089 /nfs/dbraw/zinc/11/00/89/153110089.db2.gz BHVNMWWEXDMTRN-OAHLLOKOSA-N 1 0 256.353 2.461 10 0 CEAERO C[C@@H](O)C1CC[NH+](C[C@H](O)C2CCCCC2)CC1 ZINC000190539410 153134061 /nfs/dbraw/zinc/13/40/61/153134061.db2.gz IBDFRANYHJWXCA-DOMZBBRYSA-N 1 0 255.402 2.020 10 0 CEAERO CCCC1CCC([N@H+](C)C[C@H](O)CN2CCCC2=O)CC1 ZINC000191426073 153171351 /nfs/dbraw/zinc/17/13/51/153171351.db2.gz JXSOUKBGHTUREV-GPANFISMSA-N 1 0 296.455 2.260 10 0 CEAERO CC(C)CCC[C@H](C)NC(=O)C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000193127929 153227660 /nfs/dbraw/zinc/22/76/60/153227660.db2.gz JWLMNVYZNXFRKH-ZNMIVQPWSA-N 1 0 284.444 2.475 10 0 CEAERO CC(=O)c1cc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)ccc1C ZINC000194051651 153246813 /nfs/dbraw/zinc/24/68/13/153246813.db2.gz VNODMDNEKJDHON-OAHLLOKOSA-N 1 0 286.375 2.118 10 0 CEAERO CCCCOC[C@H](O)C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000195175428 153274712 /nfs/dbraw/zinc/27/47/12/153274712.db2.gz DUDQSCVLLHSHBJ-HUUCEWRRSA-N 1 0 255.402 2.429 10 0 CEAERO Cc1ccccc1CC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195096759 153276063 /nfs/dbraw/zinc/27/60/63/153276063.db2.gz WJJWNHMFIOFQAR-INIZCTEOSA-N 1 0 272.392 2.234 10 0 CEAERO CC(C)n1nnnc1C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000195101587 153278367 /nfs/dbraw/zinc/27/83/67/153278367.db2.gz JQSVBHRYBROQRC-ZDUSSCGKSA-N 1 0 263.389 2.409 10 0 CEAERO Cc1cc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc2n1 ZINC000195316670 153281676 /nfs/dbraw/zinc/28/16/76/153281676.db2.gz SRJRDBYCJHEWNZ-CQSZACIVSA-N 1 0 295.386 2.463 10 0 CEAERO Cc1cc2ccccc2n1CC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195320826 153281736 /nfs/dbraw/zinc/28/17/36/153281736.db2.gz PCLKWHCKLBMFGL-INIZCTEOSA-N 1 0 297.402 2.256 10 0 CEAERO OCC[C@@H]1CC[N@H+](CCCOc2ccc(F)cc2)C1 ZINC000227566419 153346722 /nfs/dbraw/zinc/34/67/22/153346722.db2.gz DUVXOBFBFQJOQM-ZDUSSCGKSA-N 1 0 267.344 2.299 10 0 CEAERO CC(C)[C@H]([NH3+])CCN(C)c1ncncc1Br ZINC000227738088 153351170 /nfs/dbraw/zinc/35/11/70/153351170.db2.gz YJGWWDKHICOQMV-SNVBAGLBSA-N 1 0 287.205 2.049 10 0 CEAERO CCC(CC)NC(=O)[C@H](C)N[C@H](C)c1ncc(C)o1 ZINC000230646110 153395228 /nfs/dbraw/zinc/39/52/28/153395228.db2.gz OKKVKQMCQYAJSB-WDEREUQCSA-N 1 0 267.373 2.327 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)CC(C)(C)c1ccc(C)cc1 ZINC000261638243 153792415 /nfs/dbraw/zinc/79/24/15/153792415.db2.gz DDMFVMLDGQDEAQ-ZDUSSCGKSA-N 1 0 262.397 2.387 10 0 CEAERO O[C@@H]1C[C@@H](c2ccc(F)c(F)c2)N(C[C@H]2CCC[NH2+]C2)C1 ZINC000261644321 153799278 /nfs/dbraw/zinc/79/92/78/153799278.db2.gz ANDXWFSJNSNIJT-GHJWDPDVSA-N 1 0 296.361 2.072 10 0 CEAERO CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261660684 153802193 /nfs/dbraw/zinc/80/21/93/153802193.db2.gz FSFJTCBWKLRLTM-RBSFLKMASA-N 1 0 295.471 2.225 10 0 CEAERO C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C(=O)N[C@H]2CCC[NH2+]C2)o1 ZINC000261705802 153815390 /nfs/dbraw/zinc/81/53/90/153815390.db2.gz DCBJZKFKWGSONR-IKOXMDCHSA-N 1 0 288.391 2.375 10 0 CEAERO COc1cc(F)c(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1F ZINC000261733291 153821659 /nfs/dbraw/zinc/82/16/59/153821659.db2.gz LDJGOLVDCUYZBX-RKDXNWHRSA-N 1 0 284.306 2.287 10 0 CEAERO CC(C)(C)CCCCNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261745448 153823971 /nfs/dbraw/zinc/82/39/71/153823971.db2.gz KVZRUCZQMBWXMU-ZDUSSCGKSA-N 1 0 270.417 2.073 10 0 CEAERO COc1ccc(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)c(C)c1 ZINC000261745275 153824471 /nfs/dbraw/zinc/82/44/71/153824471.db2.gz DMRWYXYWNIXTOB-AWEZNQCLSA-N 1 0 276.380 2.203 10 0 CEAERO CC(=O)c1ccccc1C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261774457 153834369 /nfs/dbraw/zinc/83/43/69/153834369.db2.gz FUVMRCPXGLZGNL-AWEZNQCLSA-N 1 0 274.364 2.089 10 0 CEAERO C[C@@H](OCc1ccccc1)C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261871275 153862231 /nfs/dbraw/zinc/86/22/31/153862231.db2.gz OGDHXDCYQQSNNQ-HIFRSBDPSA-N 1 0 290.407 2.178 10 0 CEAERO [NH3+]C1(c2noc([C@@H]3CC(=O)Nc4ccccc43)n2)CCCC1 ZINC000261889430 153865744 /nfs/dbraw/zinc/86/57/44/153865744.db2.gz XFSWQFGAIIQJKZ-LLVKDONJSA-N 1 0 298.346 2.272 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000262496504 153956346 /nfs/dbraw/zinc/95/63/46/153956346.db2.gz ZSEHGLNCRFYKAP-XHSDSOJGSA-N 1 0 290.407 2.459 10 0 CEAERO CCC(=O)c1ccc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000262579730 153962890 /nfs/dbraw/zinc/96/28/90/153962890.db2.gz LJSXPCMXLTXEDG-UONOGXRCSA-N 1 0 274.364 2.137 10 0 CEAERO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000262607670 153964728 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COc1cccc(C[NH+]2CCC(c3cc[nH]n3)CC2)n1 ZINC000171826993 162391035 /nfs/dbraw/zinc/39/10/35/162391035.db2.gz ALFMDXAHLUKJAH-UHFFFAOYSA-N 1 0 272.352 2.193 10 0 CEAERO O=C(NCCC1CCCC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000171627423 165052331 /nfs/dbraw/zinc/05/23/31/165052331.db2.gz GRTCRMMTMRPKNV-HNNXBMFYSA-N 1 0 279.428 2.446 10 0 CEAERO Cc1csc([C@@H](C)NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000171906941 165055640 /nfs/dbraw/zinc/05/56/40/165055640.db2.gz MREXONKPCDSSCB-VXGBXAGGSA-N 1 0 294.424 2.002 10 0 CEAERO CCOC(=O)CCCCN1C[C@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000175051618 165123495 /nfs/dbraw/zinc/12/34/95/165123495.db2.gz JCCNWOWLSSWQOA-LSDHHAIUSA-N 1 0 282.428 2.278 10 0 CEAERO CCCCCC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000176889485 165175919 /nfs/dbraw/zinc/17/59/19/165175919.db2.gz LUMWNQQGYCEATF-CQSZACIVSA-N 1 0 284.444 2.118 10 0 CEAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C2CCCCC2)CC1 ZINC000176884241 165176826 /nfs/dbraw/zinc/17/68/26/165176826.db2.gz DOKINXUQLPGMSM-CQSZACIVSA-N 1 0 296.455 2.118 10 0 CEAERO Cc1cc(C)cc(C[N@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000177229851 165189293 /nfs/dbraw/zinc/18/92/93/165189293.db2.gz HDXBERJFKXDKFH-SJLPKXTDSA-N 1 0 288.435 2.456 10 0 CEAERO C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)C1CCCCC1 ZINC000177199296 165190668 /nfs/dbraw/zinc/19/06/68/165190668.db2.gz WGWDRRHCWJVGDN-UONOGXRCSA-N 1 0 254.418 2.266 10 0 CEAERO C[C@@H]1C[N@H+](CCC2CCCC2)C[C@@H]1N1CCOCC1 ZINC000177235031 165190788 /nfs/dbraw/zinc/19/07/88/165190788.db2.gz SOEWJDDEKCQKEA-ZBFHGGJFSA-N 1 0 266.429 2.219 10 0 CEAERO c1ccc2oc(CN3CC[N@@H+]4CCCC[C@@H]4C3)nc2c1 ZINC000177774444 165205339 /nfs/dbraw/zinc/20/53/39/165205339.db2.gz KQOPKHULFGKWHO-CYBMUJFWSA-N 1 0 271.364 2.498 10 0 CEAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCN1CCCCC1 ZINC000178336050 165234929 /nfs/dbraw/zinc/23/49/29/165234929.db2.gz BJZWDCKDPUDURO-INIZCTEOSA-N 1 0 276.428 2.142 10 0 CEAERO CCc1cc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)oc1CC ZINC000178577057 165248252 /nfs/dbraw/zinc/24/82/52/165248252.db2.gz OJHXDCNVFUEMKS-CYBMUJFWSA-N 1 0 276.380 2.325 10 0 CEAERO Cc1cnn([C@@H]2CCCN(C(=O)[C@@H]([NH3+])c3ccccc3)C2)c1 ZINC000178783644 165261443 /nfs/dbraw/zinc/26/14/43/165261443.db2.gz PVVOZYUJSFCSDX-CVEARBPZSA-N 1 0 298.390 2.055 10 0 CEAERO COCC[N@@H+]1CCN(Cc2cc(F)ccc2C)C[C@H]1C ZINC000180099775 165296679 /nfs/dbraw/zinc/29/66/79/165296679.db2.gz YOJYEIQSQGXKEU-CQSZACIVSA-N 1 0 280.387 2.287 10 0 CEAERO CCOCC[N@@H+]1CCN(Cc2ncc(C)s2)C[C@@H]1CC ZINC000180477446 165312710 /nfs/dbraw/zinc/31/27/10/165312710.db2.gz FNOSXABLAHXDNR-AWEZNQCLSA-N 1 0 297.468 2.384 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC[C@@H]1CCCCO1 ZINC000181795972 165355666 /nfs/dbraw/zinc/35/56/66/165355666.db2.gz UPGVQOZYHZRURQ-GJZGRUSLSA-N 1 0 297.443 2.071 10 0 CEAERO CC(C)OCCCCNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000181896457 165361266 /nfs/dbraw/zinc/36/12/66/165361266.db2.gz GXPQAJAKPKSVFV-GJZGRUSLSA-N 1 0 299.459 2.220 10 0 CEAERO CCC[C@H](C)C[NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182483106 165371939 /nfs/dbraw/zinc/37/19/39/165371939.db2.gz LIOVYFKWROACAZ-GXTWGEPZSA-N 1 0 292.427 2.250 10 0 CEAERO C[C@@H](OC1CCCCCC1)C(=O)N1CCC[C@H]1C[NH3+] ZINC000237392742 287116999 /nfs/dbraw/zinc/11/69/99/287116999.db2.gz IBMFFPHNLQCAAJ-OLZOCXBDSA-N 1 0 268.401 2.064 10 0 CEAERO CC[C@@H]1CN(C(=O)N[C@H](CC(C)C)C[NH+](C)C)C[C@H](C)O1 ZINC000247376173 287147116 /nfs/dbraw/zinc/14/71/16/287147116.db2.gz FSPGLLITJPEWEN-RRFJBIMHSA-N 1 0 299.459 2.172 10 0 CEAERO C[C@@H]([NH2+]Cc1cnc(C(C)(C)C)nc1)[C@@H]1CCCO1 ZINC000284299066 196025077 /nfs/dbraw/zinc/02/50/77/196025077.db2.gz IQCOQXOFSAXZDS-YPMHNXCESA-N 1 0 263.385 2.431 10 0 CEAERO CC[C@@H]([NH3+])c1ccccc1OCC(=O)NCC(C)C ZINC000019261429 170762072 /nfs/dbraw/zinc/76/20/72/170762072.db2.gz QFGKFJKYDYFUSG-CYBMUJFWSA-N 1 0 264.369 2.247 10 0 CEAERO Cc1cc(N2C[C@@H](C[NH3+])CC2=O)ccc1Br ZINC000019669624 170835163 /nfs/dbraw/zinc/83/51/63/170835163.db2.gz ZGBWERRHEXXWCN-SECBINFHSA-N 1 0 283.169 2.069 10 0 CEAERO O=C1NCCCC[C@H]1Oc1ccc(C2=CC[NH2+]CC2)cc1 ZINC000019813353 170880104 /nfs/dbraw/zinc/88/01/04/170880104.db2.gz KHOOIHNKGYVCCZ-MRXNPFEDSA-N 1 0 286.375 2.111 10 0 CEAERO [NH3+][C@H](c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(F)c(F)c1 ZINC000019842869 170891081 /nfs/dbraw/zinc/89/10/81/170891081.db2.gz BFUIWBWRXIAVHU-ZDUSSCGKSA-N 1 0 275.258 2.183 10 0 CEAERO CCCOc1ccc([C@@H](C)[NH2+][C@H]2CCS(=O)(=O)C2)cc1 ZINC000019900269 170911996 /nfs/dbraw/zinc/91/19/96/170911996.db2.gz AHAJODKGUJJOLB-OCCSQVGLSA-N 1 0 297.420 2.313 10 0 CEAERO C[NH+](C)C[C@H](NCc1cccnc1)c1ccccc1 ZINC000020129279 171016947 /nfs/dbraw/zinc/01/69/47/171016947.db2.gz SBMKEJOFRVZKCI-INIZCTEOSA-N 1 0 255.365 2.474 10 0 CEAERO CC(=O)NCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000020148871 171037127 /nfs/dbraw/zinc/03/71/27/171037127.db2.gz ULEDPZWKCCXFHR-VIFPVBQESA-N 1 0 274.286 2.492 10 0 CEAERO CC(=O)NCC[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000020185193 171047877 /nfs/dbraw/zinc/04/78/77/171047877.db2.gz AXHJSEUNVHWOEZ-GFCCVEGCSA-N 1 0 260.381 2.352 10 0 CEAERO CCOc1cc([C@@H](O)[C@H](C)[NH3+])ccc1OC(F)F ZINC000020216800 171078707 /nfs/dbraw/zinc/07/87/07/171078707.db2.gz CCBNZKPZGUIFTB-CPCISQLKSA-N 1 0 261.268 2.067 10 0 CEAERO COc1ccc(OC)c([C@H](C[NH3+])N(C)CC2CC2)c1 ZINC000020226465 171092112 /nfs/dbraw/zinc/09/21/12/171092112.db2.gz ZIBKGIVNURRVKX-AWEZNQCLSA-N 1 0 264.369 2.045 10 0 CEAERO CCC[C@@H](C)C(=O)N(CCC[NH3+])Cc1cccnc1 ZINC000020248738 171102140 /nfs/dbraw/zinc/10/21/40/171102140.db2.gz AAHLEWOVCJMEFQ-CYBMUJFWSA-N 1 0 263.385 2.195 10 0 CEAERO CC[C@@H]1CC[C@@H]([NH3+])[C@@H](N(C)CCc2ccccn2)C1 ZINC000020260938 171118535 /nfs/dbraw/zinc/11/85/35/171118535.db2.gz VDVKOLCYVNFAMW-BMFZPTHFSA-N 1 0 261.413 2.462 10 0 CEAERO [NH3+][C@H](CN1CCOC1=O)c1cccc(C(F)(F)F)c1 ZINC000020262282 171119992 /nfs/dbraw/zinc/11/99/92/171119992.db2.gz QFFWROQOEDGEFT-SNVBAGLBSA-N 1 0 274.242 2.157 10 0 CEAERO C[NH+](C)CC[C@H](N)c1ccc(Br)cc1 ZINC000020273978 171130639 /nfs/dbraw/zinc/13/06/39/171130639.db2.gz DFYVDLMJSDMNMG-NSHDSACASA-N 1 0 257.175 2.401 10 0 CEAERO COc1ccc(CC[NH2+][C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000020315021 171145557 /nfs/dbraw/zinc/14/55/57/171145557.db2.gz BLDJXGRMSUUEJF-LBPRGKRZSA-N 1 0 278.396 2.131 10 0 CEAERO CCN(CC)C(=O)[C@@H](C)[NH2+]Cc1ccc(OC)cc1 ZINC000020364378 171162881 /nfs/dbraw/zinc/16/28/81/171162881.db2.gz QWKBCZZGBVDEOT-GFCCVEGCSA-N 1 0 264.369 2.042 10 0 CEAERO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccc(OC)cc1 ZINC000020364371 171163169 /nfs/dbraw/zinc/16/31/69/171163169.db2.gz FQQSWILQAHVQKU-QWHCGFSZSA-N 1 0 278.396 2.478 10 0 CEAERO CCCCCNC(=O)[C@@H](C)NCCC[NH+](CC)CC ZINC000020365713 171164184 /nfs/dbraw/zinc/16/41/84/171164184.db2.gz WMCYTUACJBTOKG-CQSZACIVSA-N 1 0 271.449 2.003 10 0 CEAERO CC[C@H](C)NC(=O)[C@@H](C)Oc1ccc([C@@H](C)[NH3+])cc1 ZINC000020419284 171183908 /nfs/dbraw/zinc/18/39/08/171183908.db2.gz KBLXAMJPLRRPBV-QJPTWQEYSA-N 1 0 264.369 2.388 10 0 CEAERO COc1cc([C@@H](C)[NH3+])ccc1O[C@@H](C)C(=O)NC(C)(C)C ZINC000020419874 171185361 /nfs/dbraw/zinc/18/53/61/171185361.db2.gz IOMYLCLPMULVLW-MNOVXSKESA-N 1 0 294.395 2.397 10 0 CEAERO Cn1cc([C@@H]([NH3+])c2ccccc2C(F)(F)F)cn1 ZINC000020476848 171221368 /nfs/dbraw/zinc/22/13/68/171221368.db2.gz HCACEGKCFCBEOV-LLVKDONJSA-N 1 0 255.243 2.487 10 0 CEAERO CSc1ccc([C@@H](C[NH3+])N2CCO[C@@H](C)C2)cc1 ZINC000020523747 171236358 /nfs/dbraw/zinc/23/63/58/171236358.db2.gz LYGUXTVMRVSWBQ-SMDDNHRTSA-N 1 0 266.410 2.129 10 0 CEAERO CSc1ccc([C@@H](C[NH3+])N2CCSCC2)cc1 ZINC000020523757 171236763 /nfs/dbraw/zinc/23/67/63/171236763.db2.gz DCKHNEDFDWNLPB-CYBMUJFWSA-N 1 0 268.451 2.457 10 0 CEAERO CCC[C@H](C)NS(=O)(=O)c1cccc([C@@H](C)[NH3+])c1 ZINC000021814399 171331777 /nfs/dbraw/zinc/33/17/77/171331777.db2.gz KQOSHKJQDKOKIX-WDEREUQCSA-N 1 0 270.398 2.173 10 0 CEAERO C[C@H]([NH2+]CC(N)=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000021954805 171340819 /nfs/dbraw/zinc/34/08/19/171340819.db2.gz KOCPQPDMCCOVEI-NSHDSACASA-N 1 0 266.344 2.394 10 0 CEAERO CC[NH+](CC)[C@@H](C)C(=O)Nc1cc(N)ccc1F ZINC000022152222 171359477 /nfs/dbraw/zinc/35/94/77/171359477.db2.gz WYFULDFZVXREGV-VIFPVBQESA-N 1 0 253.321 2.077 10 0 CEAERO Cc1cc(N)ccc1NC(=O)CC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000022153351 171360381 /nfs/dbraw/zinc/36/03/81/171360381.db2.gz STMSZDBYEHTSAR-STQMWFEESA-N 1 0 291.395 2.015 10 0 CEAERO C[C@H]1C[C@H](C)C[NH+](CC(=O)Nc2ccc(F)c(N)c2)C1 ZINC000022163201 171364814 /nfs/dbraw/zinc/36/48/14/171364814.db2.gz HGRHURDTERNNDJ-QWRGUYRKSA-N 1 0 279.359 2.324 10 0 CEAERO C[C@@H]1CN([C@@H](C[NH3+])c2ccccc2Cl)C[C@@H](C)O1 ZINC000022169969 171367774 /nfs/dbraw/zinc/36/77/74/171367774.db2.gz NEXRPJBJQLTLSX-GYSYKLTISA-N 1 0 268.788 2.449 10 0 CEAERO C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1C[NH3+] ZINC000022171560 171368352 /nfs/dbraw/zinc/36/83/52/171368352.db2.gz ULZMUNYPWKCQTH-YPMHNXCESA-N 1 0 282.409 2.002 10 0 CEAERO [NH3+][C@H](Cn1cccnc1=O)c1ccc2ccccc2c1 ZINC000022564685 171391798 /nfs/dbraw/zinc/39/17/98/171391798.db2.gz FCSURFUDAYMSRC-OAHLLOKOSA-N 1 0 265.316 2.097 10 0 CEAERO COc1ccc([C@@H]([NH3+])COCC(F)(F)F)cc1OC ZINC000022567055 171392563 /nfs/dbraw/zinc/39/25/63/171392563.db2.gz CVVLDENDHGATLB-VIFPVBQESA-N 1 0 279.258 2.283 10 0 CEAERO CC[NH2+]CCN[C@H]1c2ccccc2OCc2ncccc21 ZINC000027877969 171535927 /nfs/dbraw/zinc/53/59/27/171535927.db2.gz MIOYGJRMSAWAEP-QGZVFWFLSA-N 1 0 283.375 2.263 10 0 CEAERO C[C@@H]([NH2+][C@H]1CCS(=O)(=O)C1)c1ccc(Cl)s1 ZINC000035285649 172104048 /nfs/dbraw/zinc/10/40/48/172104048.db2.gz HEFZCHPMCWAMNB-SFYZADRCSA-N 1 0 279.814 2.239 10 0 CEAERO O=C(C[NH2+]Cc1cccnc1)NCCC1=CCCCC1 ZINC000035311542 172122338 /nfs/dbraw/zinc/12/23/38/172122338.db2.gz COLRDPFTCSATAG-UHFFFAOYSA-N 1 0 273.380 2.178 10 0 CEAERO C[NH2+][C@@H](c1c(OC)cc(OC)cc1OC)C1CC1 ZINC000035468908 172218678 /nfs/dbraw/zinc/21/86/78/172218678.db2.gz BGTGCLGQHPHHCF-CQSZACIVSA-N 1 0 251.326 2.383 10 0 CEAERO Cc1ccc(O[C@@H](C)C(=O)N2CCCC2)c([C@H](C)[NH3+])c1 ZINC000035629351 172308881 /nfs/dbraw/zinc/30/88/81/172308881.db2.gz APRIIYOYUMCEOM-STQMWFEESA-N 1 0 276.380 2.404 10 0 CEAERO C[C@@H](NC(=O)c1cccc(F)c1)[C@H]1CCCC[NH2+]1 ZINC000035690758 172359198 /nfs/dbraw/zinc/35/91/98/172359198.db2.gz OMPWWOVTCIQZKK-ZWNOBZJWSA-N 1 0 250.317 2.086 10 0 CEAERO C[C@H](NC(=O)c1ccc(F)cc1)[C@H]1CCCC[NH2+]1 ZINC000035690668 172359611 /nfs/dbraw/zinc/35/96/11/172359611.db2.gz JRXMWWHNSHBULR-GXFFZTMASA-N 1 0 250.317 2.086 10 0 CEAERO C[C@@H]([NH2+]Cc1ccccc1C(N)=O)c1cccnc1 ZINC000035692111 172360718 /nfs/dbraw/zinc/36/07/18/172360718.db2.gz ZYRCBJZSZXDIMK-LLVKDONJSA-N 1 0 255.321 2.031 10 0 CEAERO [NH3+]CCOc1ccc(NC(=O)Cc2cccc(F)c2)cc1 ZINC000036681987 172652681 /nfs/dbraw/zinc/65/26/81/172652681.db2.gz BUUZWZYPNALROY-UHFFFAOYSA-N 1 0 288.322 2.344 10 0 CEAERO C[C@H]1C[C@H]1C(=O)N(CCC[NH3+])c1cccc(F)c1 ZINC000036730572 172661968 /nfs/dbraw/zinc/66/19/68/172661968.db2.gz UWAGCWHCPRCWAE-GXFFZTMASA-N 1 0 250.317 2.164 10 0 CEAERO C[C@H](NC(=O)CCCCC[NH3+])c1cccc(O)c1 ZINC000037005133 172864720 /nfs/dbraw/zinc/86/47/20/172864720.db2.gz FNNLAYUNBLIGCU-NSHDSACASA-N 1 0 250.342 2.089 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C[C@H]([NH2+][C@@]1(C)CCS(=O)(=O)C1)C1CCCCC1 ZINC000037276282 173087594 /nfs/dbraw/zinc/08/75/94/173087594.db2.gz XXSBDAQJOUPYST-AAEUAGOBSA-N 1 0 259.415 2.122 10 0 CEAERO CCOC(=O)c1ccc(NC2CC[NH+](C)CC2)cc1 ZINC000037307796 173110995 /nfs/dbraw/zinc/11/09/95/173110995.db2.gz MULCSLMUJHGWDR-UHFFFAOYSA-N 1 0 262.353 2.369 10 0 CEAERO Cc1nc2sccn2c1C[NH2+][C@@H](C)Cn1ccnc1 ZINC000037320194 173119974 /nfs/dbraw/zinc/11/99/74/173119974.db2.gz QJCRHOFCDFNMSW-JTQLQIEISA-N 1 0 275.381 2.079 10 0 CEAERO Cc1ncsc1[C@H](C)[NH2+][C@H](C)Cn1ccnc1 ZINC000037320429 173121129 /nfs/dbraw/zinc/12/11/29/173121129.db2.gz OVVABXQZEJGNEZ-KOLCDFICSA-N 1 0 250.371 2.387 10 0 CEAERO CC(C)=CCN1CCC([NH2+][C@@H]2CCC[C@@H](O)C2)CC1 ZINC000037321294 173122269 /nfs/dbraw/zinc/12/22/69/173122269.db2.gz BPZAUSMCWRWQQH-HZPDHXFCSA-N 1 0 266.429 2.310 10 0 CEAERO COc1ccc2[nH]cc(C(=O)[C@H]3CCC[NH2+]C3)c2c1 ZINC000037330569 173132116 /nfs/dbraw/zinc/13/21/16/173132116.db2.gz GIXVSJXYEKMJPF-JTQLQIEISA-N 1 0 258.321 2.359 10 0 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291.395 2.151 10 0 CEAERO CO[C@H]1C[NH2+][C@H](c2nc3cc(Br)ccc3[nH]2)C1 ZINC000037441252 173211282 /nfs/dbraw/zinc/21/12/82/173211282.db2.gz OANIAVVLVXYVSE-KCJUWKMLSA-N 1 0 296.168 2.375 10 0 CEAERO CC[C@]([NH2+]C(C)C)(C(N)=O)c1cccc(Cl)c1 ZINC000037446538 173213661 /nfs/dbraw/zinc/21/36/61/173213661.db2.gz YCNJJIMUSKZAPQ-CYBMUJFWSA-N 1 0 254.761 2.429 10 0 CEAERO CC(C)[NH2+][C@@](C)(C(N)=O)c1ccc(F)c(Cl)c1 ZINC000037446609 173213837 /nfs/dbraw/zinc/21/38/37/173213837.db2.gz BXFNJKLKIIBVHS-GFCCVEGCSA-N 1 0 258.724 2.178 10 0 CEAERO [NH3+]CC(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000037461654 173224810 /nfs/dbraw/zinc/22/48/10/173224810.db2.gz GPEPVSHFKPVIEO-UHFFFAOYSA-N 1 0 297.074 2.365 10 0 CEAERO Nc1[nH+]ccn1Cc1cc(Br)cs1 ZINC000037483217 173229006 /nfs/dbraw/zinc/22/90/06/173229006.db2.gz ZWODFQNZYCAUGO-UHFFFAOYSA-N 1 0 258.144 2.338 10 0 CEAERO C[C@@H](NC(=O)C[NH2+]C1CCCC1)c1ccc2c(c1)OCO2 ZINC000037485985 173229183 /nfs/dbraw/zinc/22/91/83/173229183.db2.gz VGSBLZMGMNCJFZ-LLVKDONJSA-N 1 0 290.363 2.125 10 0 CEAERO Cc1cc(C)c(C(=O)N(C)[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000037540863 173262890 /nfs/dbraw/zinc/26/28/90/173262890.db2.gz HBOZACONLWEZCW-AWEZNQCLSA-N 1 0 260.381 2.436 10 0 CEAERO CCN(C(=O)c1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC000037541219 173263390 /nfs/dbraw/zinc/26/33/90/173263390.db2.gz XKHHFOOKLBPSIE-ZDUSSCGKSA-N 1 0 250.317 2.040 10 0 CEAERO COc1cc(C)c(NC2CC[NH2+]CC2)cc1OC ZINC000038041151 174041973 /nfs/dbraw/zinc/04/19/73/174041973.db2.gz JYBQBRIGXCWLPK-UHFFFAOYSA-N 1 0 250.342 2.176 10 0 CEAERO CCc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCCOC2)cc1 ZINC000038045414 174053910 /nfs/dbraw/zinc/05/39/10/174053910.db2.gz PMJYZLDCSSYENR-HZPDHXFCSA-N 1 0 293.407 2.005 10 0 CEAERO Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2[NH3+])cc1F ZINC000038048973 174059785 /nfs/dbraw/zinc/05/97/85/174059785.db2.gz TWCSYWSATWIRFV-STQMWFEESA-N 1 0 250.317 2.134 10 0 CEAERO CCOc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000038049326 174060592 /nfs/dbraw/zinc/06/05/92/174060592.db2.gz XMGCESFYGJKNKJ-UONOGXRCSA-N 1 0 262.353 2.085 10 0 CEAERO CCN(C)[C@@H](C[NH3+])c1ccc(OC)c(Br)c1 ZINC000038052090 174063355 /nfs/dbraw/zinc/06/33/55/174063355.db2.gz NJWQJUHWCNDORM-NSHDSACASA-N 1 0 287.201 2.409 10 0 CEAERO COc1ccc([C@H](O)C[NH2+]CCc2ccco2)cc1 ZINC000038059476 174069276 /nfs/dbraw/zinc/06/92/76/174069276.db2.gz GTALWDKZAHXFMQ-OAHLLOKOSA-N 1 0 261.321 2.154 10 0 CEAERO CC[C@@H](C)[NH2+][C@@](CC)(C(N)=O)c1ccc(OC)cc1 ZINC000038065582 174077066 /nfs/dbraw/zinc/07/70/66/174077066.db2.gz POAVCPZZLSHWIU-IAQYHMDHSA-N 1 0 264.369 2.174 10 0 CEAERO CC(C)[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1cccs1 ZINC000038083428 174092919 /nfs/dbraw/zinc/09/29/19/174092919.db2.gz YFRLEHGDQXYXNC-AAEUAGOBSA-N 1 0 287.450 2.470 10 0 CEAERO CC(C)[C@H](C)NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000040459279 174269182 /nfs/dbraw/zinc/26/91/82/174269182.db2.gz NSLZPLZUGOLXRH-FZMZJTMJSA-N 1 0 273.380 2.198 10 0 CEAERO CSCC[C@H]([NH3+])C(=O)N1CCc2sccc2[C@@H]1C ZINC000040469129 174277737 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CO[C@H]1C[NH2+][C@H](C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000040629905 174357646 /nfs/dbraw/zinc/35/76/46/174357646.db2.gz MRYBSHBHHUISQN-KCJUWKMLSA-N 1 0 288.269 2.021 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2ccc3sccc3c2)C1 ZINC000040632977 174359298 /nfs/dbraw/zinc/35/92/98/174359298.db2.gz RKTAQBCJBVYQHT-RYUDHWBXSA-N 1 0 276.361 2.217 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccc3sccc3c2)C1 ZINC000040632974 174359647 /nfs/dbraw/zinc/35/96/47/174359647.db2.gz RKTAQBCJBVYQHT-VXGBXAGGSA-N 1 0 276.361 2.217 10 0 CEAERO CO[C@H]1C[NH2+][C@H](c2nc(-c3ccc(C)cc3)c[nH]2)C1 ZINC000040637725 174361895 /nfs/dbraw/zinc/36/18/95/174361895.db2.gz MSJNPQVFESXZNU-OLZOCXBDSA-N 1 0 257.337 2.435 10 0 CEAERO COc1ccc([C@@H](C)[NH2+]CCc2nccn2C)cc1OC ZINC000040638843 174362798 /nfs/dbraw/zinc/36/27/98/174362798.db2.gz QDAKBVDMOFYJHG-GFCCVEGCSA-N 1 0 289.379 2.331 10 0 CEAERO COc1ccccc1[C@H](C)[NH2+]CCc1nccn1C ZINC000040638673 174363079 /nfs/dbraw/zinc/36/30/79/174363079.db2.gz LIFWYIMXKFCRDD-LBPRGKRZSA-N 1 0 259.353 2.322 10 0 CEAERO C[C@H](NCc1cccc2c1OCO2)[C@H]1CCC[N@H+](C)C1 ZINC000040667119 174366589 /nfs/dbraw/zinc/36/65/89/174366589.db2.gz UIGPRUDLOKWPHC-JSGCOSHPSA-N 1 0 276.380 2.235 10 0 CEAERO C[C@H]1CCC[C@@](C[NH2+]C[C@@H]2CCCO2)(N(C)C)C1 ZINC000040669610 174367960 /nfs/dbraw/zinc/36/79/60/174367960.db2.gz OMALFSFEUNFCLC-SOUVJXGZSA-N 1 0 254.418 2.266 10 0 CEAERO CCOC(=O)CC[NH2+]C[C@@]1(N(C)C)CCC[C@H](C)C1 ZINC000040669579 174368204 /nfs/dbraw/zinc/36/82/04/174368204.db2.gz ONHRTZUPIYHNPH-DZGCQCFKSA-N 1 0 270.417 2.040 10 0 CEAERO FC(F)(F)CN[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000040671066 174368968 /nfs/dbraw/zinc/36/89/68/174368968.db2.gz IRPKDVBOWVSNKX-ZDUSSCGKSA-N 1 0 272.314 2.455 10 0 CEAERO CCCn1c2ccc(Cl)cc2nc1[C@@H]([NH3+])CCO ZINC000040710313 174380754 /nfs/dbraw/zinc/38/07/54/174380754.db2.gz DODIVJNPJDDROI-JTQLQIEISA-N 1 0 267.760 2.482 10 0 CEAERO C[C@@H]1CC[N@H+](CCCC(=O)Nc2ccc(F)c(N)c2)C1 ZINC000040716774 174384190 /nfs/dbraw/zinc/38/41/90/174384190.db2.gz OURKTGANTUTSPS-LLVKDONJSA-N 1 0 279.359 2.468 10 0 CEAERO CCc1c(C)nn(-c2ccc(C(N)=[NH2+])cc2F)c1C ZINC000040732761 174388597 /nfs/dbraw/zinc/38/85/97/174388597.db2.gz ZHLIXMDANOCTBW-UHFFFAOYSA-N 1 0 260.316 2.475 10 0 CEAERO C[C@@H]1CC(=O)N(C[C@H]([NH3+])c2ccc(C(C)(C)C)cc2)C1=O ZINC000040739859 174390487 /nfs/dbraw/zinc/39/04/87/174390487.db2.gz IZTPKJTZNUEVDS-RISCZKNCSA-N 1 0 288.391 2.379 10 0 CEAERO Cc1ccccc1CC(=O)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749674 174394516 /nfs/dbraw/zinc/39/45/16/174394516.db2.gz RNJOFZQOZZLSMK-GOOCMWNKSA-N 1 0 258.365 2.018 10 0 CEAERO CCOc1ccccc1Nc1nc[nH+]c(NN(C)C)c1N ZINC000040760138 174396997 /nfs/dbraw/zinc/39/69/97/174396997.db2.gz HUQZOHYHELLWAA-UHFFFAOYSA-N 1 0 288.355 2.090 10 0 CEAERO Nc1ccc(F)cc1C(=O)NCC[NH+]1CCCCCC1 ZINC000040766949 174398511 /nfs/dbraw/zinc/39/85/11/174398511.db2.gz UPSNHOYQRVBVCS-UHFFFAOYSA-N 1 0 279.359 2.014 10 0 CEAERO C[C@@H]1C[C@@H](O)C[N@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000401712567 414753467 /nfs/dbraw/zinc/75/34/67/414753467.db2.gz UUWSHGPWBJJZLF-HZSPNIEDSA-N 1 0 261.365 2.255 10 0 CEAERO C[C@@H]1CCN(C(=O)[C@@H]2CC[NH2+]C2)[C@@H]2CCCC[C@H]12 ZINC000062114921 414760765 /nfs/dbraw/zinc/76/07/65/414760765.db2.gz AAAYRJYPLUCUGA-AAVRWANBSA-N 1 0 250.386 2.023 10 0 CEAERO C[C@H]1CCCN(c2ncnc3ccccc32)[C@@H]1C[NH3+] ZINC000070178392 414768508 /nfs/dbraw/zinc/76/85/08/414768508.db2.gz KXUOGOTVLFMLJF-SMDDNHRTSA-N 1 0 256.353 2.193 10 0 CEAERO O=C(CC(F)(F)F)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662846915 414773204 /nfs/dbraw/zinc/77/32/04/414773204.db2.gz VNLDZEOOKZYSOD-LLVKDONJSA-N 1 0 278.318 2.177 10 0 CEAERO CC(C)[C@@H]([NH3+])c1noc(-c2ccc(N(C)C)cc2)n1 ZINC000041123277 174488076 /nfs/dbraw/zinc/48/80/76/174488076.db2.gz SVBAFFFMYYDLOI-GFCCVEGCSA-N 1 0 260.341 2.458 10 0 CEAERO COc1cc(C(C)(C)CC[NH3+])cc(OC)c1OC ZINC000041323487 174520080 /nfs/dbraw/zinc/52/00/80/174520080.db2.gz ZJVOFCCAYWUMFU-UHFFFAOYSA-N 1 0 253.342 2.339 10 0 CEAERO COc1ccc(OCCC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000041356472 174534558 /nfs/dbraw/zinc/53/45/58/174534558.db2.gz NZLNAKWPZWHDEF-LBPRGKRZSA-N 1 0 263.337 2.033 10 0 CEAERO CC(NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)(C1CC1)C1CC1 ZINC000662915346 414802238 /nfs/dbraw/zinc/80/22/38/414802238.db2.gz LOWXBFROJCXZHP-MFKMUULPSA-N 1 0 250.386 2.199 10 0 CEAERO CC1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCC([NH3+])CC1 ZINC000662930856 414805638 /nfs/dbraw/zinc/80/56/38/414805638.db2.gz YHINKQURSKDLTK-ZRRUAHMRSA-N 1 0 250.386 2.293 10 0 CEAERO C[C@H](C(=O)NCC[C@@H]1CCCO1)[C@H]([NH3+])c1ccccc1 ZINC000130271290 414814530 /nfs/dbraw/zinc/81/45/30/414814530.db2.gz XRYWMEZXIKJNMO-QEJZJMRPSA-N 1 0 276.380 2.008 10 0 CEAERO Cc1ccc(F)c(C(=O)N(C)[C@H](C[NH3+])C(F)(F)F)c1 ZINC000662978830 414816618 /nfs/dbraw/zinc/81/66/18/414816618.db2.gz IAKLQUUMPZXJEP-SNVBAGLBSA-N 1 0 278.249 2.096 10 0 CEAERO Cc1cccc(C(=O)N(C)[C@H](C[NH3+])C(F)(F)F)c1F ZINC000662982026 414819293 /nfs/dbraw/zinc/81/92/93/414819293.db2.gz XBLRZCJWKHZYQL-SECBINFHSA-N 1 0 278.249 2.096 10 0 CEAERO CCCC1N=NC(=S)N1[C@H](C)C[NH+](CC)CC ZINC000041677811 174602999 /nfs/dbraw/zinc/60/29/99/174602999.db2.gz BQNUJXTXLKKCEB-SNVBAGLBSA-N 1 0 256.419 2.422 10 0 CEAERO CCC1(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CCCC1 ZINC000653099677 414907224 /nfs/dbraw/zinc/90/72/24/414907224.db2.gz ZDRKYALIOFCCHT-GHMZBOCLSA-N 1 0 292.345 2.471 10 0 CEAERO C[C@H]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653079313 414898759 /nfs/dbraw/zinc/89/87/59/414898759.db2.gz ZRIQDHLHBKQRGU-IRCOFANPSA-N 1 0 292.345 2.327 10 0 CEAERO CC(C)[C@H]([NH3+])CCNc1ccc(S(C)(=O)=O)cc1F ZINC000663275568 414902351 /nfs/dbraw/zinc/90/23/51/414902351.db2.gz JHJIXWZUPTYAAH-GFCCVEGCSA-N 1 0 288.388 2.015 10 0 CEAERO C[C@H](C[NH+]1CCCC1)Nc1c(F)cc(N)cc1F ZINC000042598710 174815934 /nfs/dbraw/zinc/81/59/34/174815934.db2.gz NUOWXDKQXFOVHQ-SECBINFHSA-N 1 0 255.312 2.443 10 0 CEAERO CC(C)c1ccc(C[NH2+]C[C@H]2CC(=O)N(C)C2)cc1 ZINC000657693416 415048433 /nfs/dbraw/zinc/04/84/33/415048433.db2.gz CBTNUIZKJJDEOX-CQSZACIVSA-N 1 0 260.381 2.378 10 0 CEAERO CN1C[C@H](C[NH2+]Cc2cc3ccccc3o2)CC1=O ZINC000657693671 415048838 /nfs/dbraw/zinc/04/88/38/415048838.db2.gz DVDKXNPKZPWRMK-NSHDSACASA-N 1 0 258.321 2.001 10 0 CEAERO CN1C[C@H](C[NH2+]Cc2ccc(C(F)F)cc2)CC1=O ZINC000657696286 415050210 /nfs/dbraw/zinc/05/02/10/415050210.db2.gz UDMLDTBRCAVNIC-NSHDSACASA-N 1 0 268.307 2.192 10 0 CEAERO CN1C[C@@H](C[NH2+]Cc2ccc(Cl)cc2F)CC1=O ZINC000657696093 415050820 /nfs/dbraw/zinc/05/08/20/415050820.db2.gz RYUWDJXBUYYIAY-SECBINFHSA-N 1 0 270.735 2.047 10 0 CEAERO CN1C[C@@H](C[NH2+]Cc2ccc(C(F)F)cc2)CC1=O ZINC000657696283 415050923 /nfs/dbraw/zinc/05/09/23/415050923.db2.gz UDMLDTBRCAVNIC-LLVKDONJSA-N 1 0 268.307 2.192 10 0 CEAERO Cc1ccc([C@@H](C[NH3+])Sc2nnnn2C2CC2)cc1 ZINC000042907483 174908521 /nfs/dbraw/zinc/90/85/21/174908521.db2.gz SKQJGQGQJGWEPR-GFCCVEGCSA-N 1 0 275.381 2.109 10 0 CEAERO COc1ccc([C@H](OC[C@@H]2CCCO2)[C@@H](C)[NH3+])cc1 ZINC000042963025 174927695 /nfs/dbraw/zinc/92/76/95/174927695.db2.gz FLEOSLXKCCKZPR-BYCMXARLSA-N 1 0 265.353 2.279 10 0 CEAERO Cc1cccc([C@@H]([C@@H](C)[NH3+])N(C)C[C@@H]2CCCO2)c1 ZINC000042967030 174930837 /nfs/dbraw/zinc/93/08/37/174930837.db2.gz RQRRIJMWCNASFL-VNQPRFMTSA-N 1 0 262.397 2.494 10 0 CEAERO COC(=O)CS[C@@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000042974730 174937822 /nfs/dbraw/zinc/93/78/22/174937822.db2.gz YJAFJQNGJWJPDE-PRHODGIISA-N 1 0 257.330 2.120 10 0 CEAERO CCOC1CCC([NH2+][C@@H]2CCCN(CC)C2)CC1 ZINC000657844251 415101921 /nfs/dbraw/zinc/10/19/21/415101921.db2.gz HTQZWZXEKBRFDC-SHARSMKWSA-N 1 0 254.418 2.408 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccccc1F)n1nc(C)nc1C ZINC000043046426 174956735 /nfs/dbraw/zinc/95/67/35/174956735.db2.gz FFMVVEZBGZURJJ-KBPBESRZSA-N 1 0 262.332 2.361 10 0 CEAERO C[C@@H]([NH3+])[C@H](OC1CCOCC1)c1ccccc1F ZINC000043048848 174957482 /nfs/dbraw/zinc/95/74/82/174957482.db2.gz DAAKQJPYUHJFOH-YGRLFVJLSA-N 1 0 253.317 2.410 10 0 CEAERO C[C@]1(C2CC2)C[N@H+](C[C@H]2CCC[C@H](O)C2)CCO1 ZINC000661172002 415121932 /nfs/dbraw/zinc/12/19/32/415121932.db2.gz PVVRXRLLNZEBEE-AEGPPILISA-N 1 0 253.386 2.038 10 0 CEAERO COc1cc(C)ccc1O[C@@H](c1cnn(C)c1)[C@H](C)[NH3+] ZINC000043234372 174986893 /nfs/dbraw/zinc/98/68/93/174986893.db2.gz PEYOPSBFQANLOL-XHDPSFHLSA-N 1 0 275.352 2.204 10 0 CEAERO Cc1ccsc1[C@H]([C@H](C)[NH3+])N1CCN(C2CC2)CC1 ZINC000043248507 174993498 /nfs/dbraw/zinc/99/34/98/174993498.db2.gz RRLOHEMPBHESOV-JSGCOSHPSA-N 1 0 279.453 2.225 10 0 CEAERO [NH3+][C@@H](c1ccc2ccccc2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043299873 175000392 /nfs/dbraw/zinc/00/03/92/175000392.db2.gz KTBGJSFRLUGQEU-CABCVRRESA-N 1 0 275.373 2.274 10 0 CEAERO [NH3+][C@@H](c1cccc(Cl)c1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000043299971 175000846 /nfs/dbraw/zinc/00/08/46/175000846.db2.gz FNYSQJWVAPTLDK-WRWORJQWSA-N 1 0 294.203 2.428 10 0 CEAERO CCC[NH2+][C@H](c1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043301213 175001913 /nfs/dbraw/zinc/00/19/13/175001913.db2.gz XNLPUWPBDOVTEC-TZMCWYRMSA-N 1 0 285.384 2.301 10 0 CEAERO CCC[NH2+][C@H](c1ccccc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000043301222 175001925 /nfs/dbraw/zinc/00/19/25/175001925.db2.gz YHHLZJAZOFEQEU-WFASDCNBSA-N 1 0 297.420 2.171 10 0 CEAERO CCOC(=O)[C@H](c1cccc(C)c1C)N1CCC[NH2+]CC1 ZINC000043315625 175004543 /nfs/dbraw/zinc/00/45/43/175004543.db2.gz SEEQVPHXDBAXQU-INIZCTEOSA-N 1 0 290.407 2.203 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccco1)N1CCOCC1(C)C ZINC000043335710 175011216 /nfs/dbraw/zinc/01/12/16/175011216.db2.gz SMIIOMCLRCZNCI-DGCLKSJQSA-N 1 0 252.358 2.169 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccco1)N1CCOCC1(C)C ZINC000043335709 175011545 /nfs/dbraw/zinc/01/15/45/175011545.db2.gz SMIIOMCLRCZNCI-WCQYABFASA-N 1 0 252.358 2.169 10 0 CEAERO CC[C@H]([NH3+])[C@H](Oc1ccc(C(N)=O)cc1)c1ccco1 ZINC000043337459 175012770 /nfs/dbraw/zinc/01/27/70/175012770.db2.gz JDXALGKUHMFKPM-JSGCOSHPSA-N 1 0 274.320 2.236 10 0 CEAERO Cc1nc2ccccc2n1[C@H](C[NH3+])c1ccccn1 ZINC000043341348 175015284 /nfs/dbraw/zinc/01/52/84/175015284.db2.gz HNLWHFKRBPNWHQ-OAHLLOKOSA-N 1 0 252.321 2.288 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1cccnc1)N(C)[C@@H]1CCSC1 ZINC000043346278 175017424 /nfs/dbraw/zinc/01/74/24/175017424.db2.gz MNAQZUJGKLHILI-RDBSUJKOSA-N 1 0 265.426 2.297 10 0 CEAERO CCc1c(C)nn([C@@H](c2cccnc2)[C@H](C)[NH3+])c1C ZINC000043348972 175019432 /nfs/dbraw/zinc/01/94/32/175019432.db2.gz SJMJQWWLODKBBU-ZUZCIYMTSA-N 1 0 258.369 2.394 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccncc1)N(C)Cc1ccncc1 ZINC000043353496 175020819 /nfs/dbraw/zinc/02/08/19/175020819.db2.gz ZQGLXKZKDWWZCZ-JKSUJKDBSA-N 1 0 270.380 2.387 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccncc1)N(C)CCc1ccncc1 ZINC000043353860 175020850 /nfs/dbraw/zinc/02/08/50/175020850.db2.gz JUMIUHHLGQIDCC-SJORKVTESA-N 1 0 284.407 2.430 10 0 CEAERO COc1cc(C)ccc1O[C@@H](C[NH3+])c1ccncc1 ZINC000043355511 175022962 /nfs/dbraw/zinc/02/29/62/175022962.db2.gz UONJWBLJRUCACY-HNNXBMFYSA-N 1 0 258.321 2.477 10 0 CEAERO CCCCOCCO[C@H](c1ccncc1)[C@@H](C)[NH3+] ZINC000043355944 175023386 /nfs/dbraw/zinc/02/33/86/175023386.db2.gz KHENBIUTINVUBI-OCCSQVGLSA-N 1 0 252.358 2.303 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)N1CCCC[C@@H]1CO ZINC000043364605 175025425 /nfs/dbraw/zinc/02/54/25/175025425.db2.gz AXYMCMYNCZYNJJ-NFAWXSAZSA-N 1 0 266.385 2.213 10 0 CEAERO CCC(CC)N(CCO)[C@@H](C[NH3+])c1ccc(C)o1 ZINC000043365182 175026261 /nfs/dbraw/zinc/02/62/61/175026261.db2.gz IAAAJZJVDXFJHK-ZDUSSCGKSA-N 1 0 254.374 2.071 10 0 CEAERO CCC(CC)N(CCO)[C@H](c1ccc(C)o1)[C@@H](C)[NH3+] ZINC000043365185 175026508 /nfs/dbraw/zinc/02/65/08/175026508.db2.gz SOZSNDYPSOSENY-DOMZBBRYSA-N 1 0 268.401 2.459 10 0 CEAERO COC(=O)CCS[C@H](c1ccc(C)o1)[C@H](C)[NH3+] ZINC000043367604 175027506 /nfs/dbraw/zinc/02/75/06/175027506.db2.gz LTCHAMFDDLIKQN-CABZTGNLSA-N 1 0 257.355 2.273 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](N(C)Cc1cccnc1)C(F)(F)F ZINC000043377300 175030086 /nfs/dbraw/zinc/03/00/86/175030086.db2.gz STWAYIUDLACKNP-GHMZBOCLSA-N 1 0 261.291 2.182 10 0 CEAERO CC[C@H]([NH3+])[C@H](N(C)Cc1cccnc1)C(F)(F)F ZINC000043377294 175030152 /nfs/dbraw/zinc/03/01/52/175030152.db2.gz STWAYIUDLACKNP-QWRGUYRKSA-N 1 0 261.291 2.182 10 0 CEAERO C[C@H]([NH3+])[C@H](N1CCc2ccccc2C1)C(F)(F)F ZINC000043376533 175030284 /nfs/dbraw/zinc/03/02/84/175030284.db2.gz DCOBVHRPJKEZIS-CABZTGNLSA-N 1 0 258.287 2.323 10 0 CEAERO CC[C@@H]([NH3+])[C@H](N(CCOC)[C@@H](C)C1CC1)C(F)(F)F ZINC000043379143 175030955 /nfs/dbraw/zinc/03/09/55/175030955.db2.gz SDESHWLEFVHVSR-WCQGTBRESA-N 1 0 282.350 2.402 10 0 CEAERO CCC(CC)N(CCOC)[C@H]([C@@H](C)[NH3+])C(F)(F)F ZINC000043379132 175030996 /nfs/dbraw/zinc/03/09/96/175030996.db2.gz DYHAKSTUKDCROQ-MWLCHTKSSA-N 1 0 270.339 2.402 10 0 CEAERO CCCc1cc(=O)[nH]c(S[C@@H]([C@H](C)[NH3+])C(F)(F)F)n1 ZINC000043385731 175032146 /nfs/dbraw/zinc/03/21/46/175032146.db2.gz CSWBMHJDIYRZPD-RCOVLWMOSA-N 1 0 295.330 2.093 10 0 CEAERO O=S1(=O)CC[C@@H](C[NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC000043389928 175033464 /nfs/dbraw/zinc/03/34/64/175033464.db2.gz MYLHUCUVESLEEQ-JTQLQIEISA-N 1 0 291.775 2.003 10 0 CEAERO CCCN(CC[NH3+])C(=O)c1nccc2ccccc21 ZINC000043512257 175060480 /nfs/dbraw/zinc/06/04/80/175060480.db2.gz QOKDQGLMOXEZHC-UHFFFAOYSA-N 1 0 257.337 2.046 10 0 CEAERO CC[C@H](C)c1ccc(NC(=O)[C@@H]2C[NH2+]CCO2)cc1 ZINC000043708512 175101558 /nfs/dbraw/zinc/10/15/58/175101558.db2.gz XFUJGWSGHNTPSZ-FZMZJTMJSA-N 1 0 262.353 2.127 10 0 CEAERO C[NH2+][C@@H](CN1CCOCC1)c1ccc(OC(C)C)cc1 ZINC000043808091 175108930 /nfs/dbraw/zinc/10/89/30/175108930.db2.gz CTTDAOVBVFXRCB-INIZCTEOSA-N 1 0 278.396 2.067 10 0 CEAERO CCC[NH2+][C@H]1CCCCCC[C@H]1N1CCOCC1 ZINC000043808613 175108944 /nfs/dbraw/zinc/10/89/44/175108944.db2.gz OEAPFCPJMPQPLG-LSDHHAIUSA-N 1 0 254.418 2.410 10 0 CEAERO CCC[NH2+][C@@H]1CCCC[C@@H]1N1C[C@@H](C)O[C@@H](C)C1 ZINC000043811641 175111006 /nfs/dbraw/zinc/11/10/06/175111006.db2.gz YCYATUZFZLVANO-BARDWOONSA-N 1 0 254.418 2.406 10 0 CEAERO C[NH2+][C@H]1c2ccccc2OC[C@H]1N1CCC[C@@H](C)C1 ZINC000043811765 175111253 /nfs/dbraw/zinc/11/12/53/175111253.db2.gz NFETYESEKORPOZ-XPKDYRNWSA-N 1 0 260.381 2.440 10 0 CEAERO CCC[NH2+][C@@H]1CCOC[C@H]1N(C)C1CCCCC1 ZINC000043815167 175111696 /nfs/dbraw/zinc/11/16/96/175111696.db2.gz AIBCGADYUOPFDG-HUUCEWRRSA-N 1 0 254.418 2.408 10 0 CEAERO CC[NH2+][C@@H](C)CCN1CCc2cc(OC)c(OC)cc2C1 ZINC000043817759 175112917 /nfs/dbraw/zinc/11/29/17/175112917.db2.gz ZDSPBUPNJGACEG-ZDUSSCGKSA-N 1 0 292.423 2.450 10 0 CEAERO CCN(C)C[C@@H]([NH2+]C)c1ccc2c(c1)OCCCO2 ZINC000043820088 175113796 /nfs/dbraw/zinc/11/37/96/175113796.db2.gz OOBAMPZBSLLBKD-CYBMUJFWSA-N 1 0 264.369 2.060 10 0 CEAERO C[NH2+][C@@H]1CCOC[C@H]1N1CCC(Cc2ccccc2)CC1 ZINC000043819731 175113809 /nfs/dbraw/zinc/11/38/09/175113809.db2.gz FIVCQDKKCHYDND-QZTJIDSGSA-N 1 0 288.435 2.318 10 0 CEAERO CCC[NH2+][C@H]1CCOC[C@H]1N1CCCC[C@@H]1CC ZINC000043883517 175116261 /nfs/dbraw/zinc/11/62/61/175116261.db2.gz DNFNFMKZNLLRMN-SOUVJXGZSA-N 1 0 254.418 2.408 10 0 CEAERO CC[NH2+][C@@H](c1ccc(OC)cc1)[C@@H](C)N1CCOC[C@@H]1C ZINC000043891526 175118156 /nfs/dbraw/zinc/11/81/56/175118156.db2.gz WVHVANRADGSZPN-JJRVBVJISA-N 1 0 292.423 2.455 10 0 CEAERO CCOC1CCN([C@@H]2Cc3ccccc3[C@H]2[NH2+]C)CC1 ZINC000043907018 175123315 /nfs/dbraw/zinc/12/33/15/175123315.db2.gz HYKMMFXWTIMGSU-IAGOWNOFSA-N 1 0 274.408 2.373 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2CC[C@@H]1N(C)CCOC ZINC000043916103 175125226 /nfs/dbraw/zinc/12/52/26/175125226.db2.gz OFBMCYCVXLJYMG-JKSUJKDBSA-N 1 0 262.397 2.230 10 0 CEAERO CC[NH2+][C@H]1CCCCC[C@H]1N1CCOCC1(C)C ZINC000043916965 175125737 /nfs/dbraw/zinc/12/57/37/175125737.db2.gz IOAFOMBJAMQEEH-UONOGXRCSA-N 1 0 254.418 2.408 10 0 CEAERO C[NH2+][C@@H](c1ccccc1)[C@@H](C)N(C)C[C@@H]1CCCO1 ZINC000043965769 175127306 /nfs/dbraw/zinc/12/73/06/175127306.db2.gz PWRBYDVJNCEWNN-VNQPRFMTSA-N 1 0 262.397 2.446 10 0 CEAERO CC[NH2+][C@@H]1CCCCC[C@@H]1N(C)C[C@@H]1CCCO1 ZINC000043966042 175127451 /nfs/dbraw/zinc/12/74/51/175127451.db2.gz NSCVOAMHKJVSIA-ZNMIVQPWSA-N 1 0 254.418 2.408 10 0 CEAERO CCC[NH2+][C@@H]1CCCC[C@@H]1N(C)C[C@@H]1CCCO1 ZINC000043966302 175128123 /nfs/dbraw/zinc/12/81/23/175128123.db2.gz KSFZIOVEZWEBNB-ZNMIVQPWSA-N 1 0 254.418 2.408 10 0 CEAERO CCN(CCOC)C[C@H]([NH2+]C)c1ccc(C)cc1 ZINC000043968467 175129669 /nfs/dbraw/zinc/12/96/69/175129669.db2.gz BSZRPSHBZUTWHV-HNNXBMFYSA-N 1 0 250.386 2.224 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2OC[C@H]1N(CCOC)C1CC1 ZINC000043970018 175131226 /nfs/dbraw/zinc/13/12/26/175131226.db2.gz WBFJOFAVGRMQJD-WBVHZDCISA-N 1 0 290.407 2.209 10 0 CEAERO CCC[NH2+][C@@H](CC)[C@@H](C)N(CCCOC)CCOC ZINC000043971080 175132032 /nfs/dbraw/zinc/13/20/32/175132032.db2.gz MMQQYFFBRJIJRD-CABCVRRESA-N 1 0 274.449 2.138 10 0 CEAERO Cc1nnc(COc2ccc3c(c2)CCC[C@H]3[NH3+])n1C ZINC000044744964 175241589 /nfs/dbraw/zinc/24/15/89/175241589.db2.gz KLURMLJZSCAROG-CQSZACIVSA-N 1 0 272.352 2.039 10 0 CEAERO CCNC(=O)[C@@H](C)Oc1ccc2c(c1)CCC[C@H]2[NH2+]C ZINC000044745307 175241718 /nfs/dbraw/zinc/24/17/18/175241718.db2.gz XKFMTETXZUJPQP-IAQYHMDHSA-N 1 0 276.380 2.187 10 0 CEAERO CCCNC(=O)[C@H](C)Oc1ccc2c(c1)CCC[C@@H]2[NH3+] ZINC000044744904 175241744 /nfs/dbraw/zinc/24/17/44/175241744.db2.gz CXBCXDHNRRRVDW-NHYWBVRUSA-N 1 0 276.380 2.316 10 0 CEAERO CC[NH2+][C@H]1CCCc2cc(OC[C@H]3CNC(=O)O3)ccc21 ZINC000044745578 175242041 /nfs/dbraw/zinc/24/20/41/175242041.db2.gz MFFSPQYMKAPHAV-HIFRSBDPSA-N 1 0 290.363 2.161 10 0 CEAERO Cc1cc(N)ccc1C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000044748909 175244117 /nfs/dbraw/zinc/24/41/17/175244117.db2.gz CUHJKWZMPFAVMN-CYBMUJFWSA-N 1 0 275.396 2.181 10 0 CEAERO Cc1cc(N)ccc1C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000044748927 175244197 /nfs/dbraw/zinc/24/41/97/175244197.db2.gz GWLPSJQJMFWPPI-ZDUSSCGKSA-N 1 0 289.423 2.429 10 0 CEAERO [NH3+]CC1(C(=O)Nc2cc(F)ccc2F)CCCC1 ZINC000044762141 175246208 /nfs/dbraw/zinc/24/62/08/175246208.db2.gz NVZUVGVJQVEFRH-UHFFFAOYSA-N 1 0 254.280 2.422 10 0 CEAERO CCC(CC)(C[NH3+])C(=O)Nc1ccc(OC)cc1OC ZINC000044762060 175246444 /nfs/dbraw/zinc/24/64/44/175246444.db2.gz YEKMMAXPMJSRET-UHFFFAOYSA-N 1 0 280.368 2.407 10 0 CEAERO CCCCCC[C@H](C)NC(=O)C1(C[NH3+])CCOCC1 ZINC000044763674 175247566 /nfs/dbraw/zinc/24/75/66/175247566.db2.gz GQSGDKXTGYALLR-ZDUSSCGKSA-N 1 0 270.417 2.217 10 0 CEAERO [NH3+]CC1(C(=O)NCc2ccc(F)c(F)c2)CCCCC1 ZINC000044763897 175247925 /nfs/dbraw/zinc/24/79/25/175247925.db2.gz NWCLTSLLZQMFAT-UHFFFAOYSA-N 1 0 282.334 2.490 10 0 CEAERO [NH3+]CC1(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)CCCCC1 ZINC000044764345 175248728 /nfs/dbraw/zinc/24/87/28/175248728.db2.gz YQXRMPGLMGFRMU-UONOGXRCSA-N 1 0 280.412 2.066 10 0 CEAERO C[C@H]1CCCCN1C(=O)[C@@H](C[NH3+])Cc1ccccc1 ZINC000044795528 175254603 /nfs/dbraw/zinc/25/46/03/175254603.db2.gz XYVAJQOWGDHGKK-DZGCQCFKSA-N 1 0 260.381 2.205 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)NCCc1ccccn1 ZINC000044799105 175255213 /nfs/dbraw/zinc/25/52/13/175255213.db2.gz XGLGSIIBKXZRFZ-UHFFFAOYSA-N 1 0 277.412 2.286 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)NCc1ccncc1 ZINC000044799708 175255624 /nfs/dbraw/zinc/25/56/24/175255624.db2.gz FANBQGZXEOXAAC-UHFFFAOYSA-N 1 0 263.385 2.243 10 0 CEAERO CC(C)[C@H](C[NH3+])C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000044806226 175256381 /nfs/dbraw/zinc/25/63/81/175256381.db2.gz XMYSORSRDFGMIT-MFKMUULPSA-N 1 0 252.333 2.234 10 0 CEAERO CC(C)[C@@H](C[NH3+])C(=O)N[C@@H](C)c1cccc(F)c1 ZINC000044806363 175256430 /nfs/dbraw/zinc/25/64/30/175256430.db2.gz LTLQQVNHXFKPCK-GXFFZTMASA-N 1 0 252.333 2.234 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)N1CCO[C@@H]2CCC[C@@H]21 ZINC000044808283 175257181 /nfs/dbraw/zinc/25/71/81/175257181.db2.gz BZIOUSVEEYZNTB-UONOGXRCSA-N 1 0 282.428 2.312 10 0 CEAERO CCC[C@H](C(N)=S)C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000044830189 175261083 /nfs/dbraw/zinc/26/10/83/175261083.db2.gz CRWQACOZCIKYRD-QWHCGFSZSA-N 1 0 299.484 2.070 10 0 CEAERO O=S(=O)(Nc1ccc2ccccc2c1)C1CC[NH2+]CC1 ZINC000044881442 175270014 /nfs/dbraw/zinc/27/00/14/175270014.db2.gz HZIFQWRXUFFZRZ-UHFFFAOYSA-N 1 0 290.388 2.334 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)NC[C@H]1CCCOC1 ZINC000044982564 175283748 /nfs/dbraw/zinc/28/37/48/175283748.db2.gz IFICAMLSLUCVMH-CYBMUJFWSA-N 1 0 270.417 2.075 10 0 CEAERO CC[C@@H](C)N1C(=O)C[C@@H]([NH2+]C2(C)CCCCC2)C1=O ZINC000045043720 175295447 /nfs/dbraw/zinc/29/54/47/175295447.db2.gz IUVRPSHQPMXFOG-VXGBXAGGSA-N 1 0 266.385 2.225 10 0 CEAERO CC[NH2+][C@@H]1CCN(CCOCCC(C)C)C[C@@H]1C ZINC000045107836 175307868 /nfs/dbraw/zinc/30/78/68/175307868.db2.gz XMNSSNIERFHRAM-LSDHHAIUSA-N 1 0 256.434 2.369 10 0 CEAERO Cc1nn(C)c(C)c1-c1csc(C(C)(C)[NH3+])n1 ZINC000045167897 175319432 /nfs/dbraw/zinc/31/94/32/175319432.db2.gz MQRMPJBRTNMNIG-UHFFFAOYSA-N 1 0 250.371 2.354 10 0 CEAERO CC[C@H](C)[C@H]([NH3+])c1nc(-c2c(C)nn(C)c2C)c[nH]1 ZINC000045169386 175320187 /nfs/dbraw/zinc/32/01/87/175320187.db2.gz HSTYENFOOLZFKW-SDBXPKJASA-N 1 0 261.373 2.473 10 0 CEAERO CCCNC(=O)[C@H](C)[NH2+][C@H](C)c1c(C)nn(CC)c1C ZINC000045170280 175320541 /nfs/dbraw/zinc/32/05/41/175320541.db2.gz GUFBQSLKSICXFV-PWSUYJOCSA-N 1 0 280.416 2.085 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]Cc2cnn(C)c2)c1C ZINC000045172266 175321526 /nfs/dbraw/zinc/32/15/26/175321526.db2.gz GJIRTVYRRQHKPF-JTQLQIEISA-N 1 0 261.373 2.104 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)NC[C@@H]1CCC[N@H+](C)C1 ZINC000045172729 175322015 /nfs/dbraw/zinc/32/20/15/175322015.db2.gz PYMBWAJMJHEGDQ-RISCZKNCSA-N 1 0 264.417 2.029 10 0 CEAERO CC[C@H]1CSC(NCc2ccc(S(C)(=O)=O)cc2)=[NH+]1 ZINC000045173908 175323087 /nfs/dbraw/zinc/32/30/87/175323087.db2.gz SPGFGLNQVORTNV-NSHDSACASA-N 1 0 298.433 2.061 10 0 CEAERO COc1ccc(-c2nccc(C[NH2+]C3CC3)n2)cc1 ZINC000045206142 175327710 /nfs/dbraw/zinc/32/77/10/175327710.db2.gz JQFVUFVAJFUTTM-UHFFFAOYSA-N 1 0 255.321 2.404 10 0 CEAERO CC(C)[NH2+][C@](C)(CC[NH+]1CCCCCCC1)C(=O)[O-] ZINC000045223731 175331468 /nfs/dbraw/zinc/33/14/68/175331468.db2.gz XTHVPQNTSHTMMN-OAHLLOKOSA-N 1 0 270.417 2.484 10 0 CEAERO COC(=O)[C@](C)(CC[N@H+]1C[C@H](C)C[C@H](C)C1)NC(C)C ZINC000045224706 175332787 /nfs/dbraw/zinc/33/27/87/175332787.db2.gz IRBFNQGZPDYNRK-LZWOXQAQSA-N 1 0 284.444 2.284 10 0 CEAERO CCCN[C@](C)(CC[N@H+](C)C(C)C)C(=O)OCC ZINC000045229655 175333933 /nfs/dbraw/zinc/33/39/33/175333933.db2.gz WVIAUZJHXCAEEX-CQSZACIVSA-N 1 0 258.406 2.038 10 0 CEAERO CCCN[C@@](C)(C[NH+]1[C@@H](C)CCC[C@@H]1C)C(=O)OC ZINC000045231793 175335762 /nfs/dbraw/zinc/33/57/62/175335762.db2.gz LXFMOCCIWZLESK-YDHLFZDLSA-N 1 0 270.417 2.181 10 0 CEAERO CCCCC[N@H+](C)CC[C@](C)(NCC)C(=O)OC ZINC000045268228 175340703 /nfs/dbraw/zinc/34/07/03/175340703.db2.gz MADVNFHQUBPGLS-AWEZNQCLSA-N 1 0 258.406 2.040 10 0 CEAERO CCCCC[N@H+](C)C[C@](C)(NC(C)C)C(=O)OC ZINC000045268158 175340846 /nfs/dbraw/zinc/34/08/46/175340846.db2.gz XDZHFANKMQAIIJ-AWEZNQCLSA-N 1 0 258.406 2.038 10 0 CEAERO CCN[C@](C)(CC[N@H+](C)C(CC)CC)C(=O)OCC ZINC000045269729 175341372 /nfs/dbraw/zinc/34/13/72/175341372.db2.gz PSVLTOUYSQKOCW-OAHLLOKOSA-N 1 0 272.433 2.428 10 0 CEAERO CCOC(=O)[C@](C)(CC[N@H+](C)[C@@H](C)C1CC1)NC(C)C ZINC000045270363 175341511 /nfs/dbraw/zinc/34/15/11/175341511.db2.gz YVCCASREKSOFGC-BBRMVZONSA-N 1 0 284.444 2.427 10 0 CEAERO COC(=O)[C@](C)(C[N@H+](C)C1CCCCCC1)NC1CC1 ZINC000045271940 175342089 /nfs/dbraw/zinc/34/20/89/175342089.db2.gz GHBWZYGKYXVLPD-INIZCTEOSA-N 1 0 282.428 2.325 10 0 CEAERO CCOC(=O)[C@@](C)(C[NH+](CC(C)C)CC(C)C)NC ZINC000045273769 175343868 /nfs/dbraw/zinc/34/38/68/175343868.db2.gz MVNWLACCHABYJK-OAHLLOKOSA-N 1 0 272.433 2.142 10 0 CEAERO CN[C@@](C)(CC[N@@H+]1CCC[C@@H]1C1CCCC1)C(=O)OC ZINC000045277413 175347083 /nfs/dbraw/zinc/34/70/83/175347083.db2.gz ORSDDOAELWOZEZ-ZBFHGGJFSA-N 1 0 282.428 2.182 10 0 CEAERO CCC(CC)C[N@H+](CC)CC[C@@](C)([NH2+]C)C(=O)[O-] ZINC000045277817 175347625 /nfs/dbraw/zinc/34/76/25/175347625.db2.gz QLEZYPKIYJIHHA-CQSZACIVSA-N 1 0 258.406 2.197 10 0 CEAERO CCCCC[N@H+](CC[C@@](C)([NH2+]C)C(=O)[O-])C(C)C ZINC000045278599 175348806 /nfs/dbraw/zinc/34/88/06/175348806.db2.gz JABSONZFTOSQOE-CQSZACIVSA-N 1 0 258.406 2.340 10 0 CEAERO CCCN[C@@](C)(CC[N@H+](C)CC(C)(C)C)C(=O)OC ZINC000045279385 175349705 /nfs/dbraw/zinc/34/97/05/175349705.db2.gz IYZNAGLCDJRAKO-HNNXBMFYSA-N 1 0 272.433 2.286 10 0 CEAERO COC(=O)[C@](C)(C[N@H+](CC(C)C)C(C)C)NC(C)C ZINC000045280708 175350807 /nfs/dbraw/zinc/35/08/07/175350807.db2.gz ANMDTQWYULQZHK-HNNXBMFYSA-N 1 0 272.433 2.283 10 0 CEAERO CCN[C@](C)(CC[N@H+](C)C1CCC(CC)CC1)C(N)=O ZINC000045281156 175351521 /nfs/dbraw/zinc/35/15/21/175351521.db2.gz DYTVMWBIKATOFB-ZBCRRDGASA-N 1 0 283.460 2.131 10 0 CEAERO CN[C@@](C[N@H+](C)CCC(C)C)(C(=O)OC)c1ccccc1 ZINC000045281183 175352215 /nfs/dbraw/zinc/35/22/15/175352215.db2.gz HCZLOGOXDJKQNS-QGZVFWFLSA-N 1 0 292.423 2.252 10 0 CEAERO CCCC[N@H+](C[C@@](C)(NCC)C(=O)OC)[C@@H](C)CC ZINC000045282547 175352692 /nfs/dbraw/zinc/35/26/92/175352692.db2.gz RSKJKQSNWIXLOQ-DZGCQCFKSA-N 1 0 272.433 2.428 10 0 CEAERO CCCC[N@H+](C)CCCC[C@](C)(NC)C(=O)OC ZINC000045368210 175363348 /nfs/dbraw/zinc/36/33/48/175363348.db2.gz KIPOLCKXNXCIMP-AWEZNQCLSA-N 1 0 258.406 2.040 10 0 CEAERO CCOC(=O)[C@H](C[NH+]1CCCCCCC1)NC(C)C ZINC000045371301 175364544 /nfs/dbraw/zinc/36/45/44/175364544.db2.gz GOHSDZRBLORBGD-AWEZNQCLSA-N 1 0 270.417 2.182 10 0 CEAERO CC[NH+](CC)CCCC[C@](C)(NC1CC1)C(=O)OC ZINC000045375873 175366202 /nfs/dbraw/zinc/36/62/02/175366202.db2.gz VCMVRKKAFBGCAK-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CC(C)[NH2+][C@@](C)(CCC[N@@H+]1CCCC[C@@H]1C)C(=O)[O-] ZINC000045376118 175366685 /nfs/dbraw/zinc/36/66/85/175366685.db2.gz OXDJFQLXWMVRRY-ZFWWWQNUSA-N 1 0 270.417 2.482 10 0 CEAERO CC[NH2+][C@@](C)(CCC[NH+]1CCCCCC1)C(=O)[O-] ZINC000045377490 175366926 /nfs/dbraw/zinc/36/69/26/175366926.db2.gz ZQODGUKCVGELAZ-AWEZNQCLSA-N 1 0 256.390 2.095 10 0 CEAERO CCOC(=O)[C@@](C)(N)CCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000045379686 175368972 /nfs/dbraw/zinc/36/89/72/175368972.db2.gz YKBCBSLJEXCSPX-YDHLFZDLSA-N 1 0 270.417 2.310 10 0 CEAERO CCCN[C@](C)(CCCC[N@H+](C)CC)C(=O)OC ZINC000045382723 175370934 /nfs/dbraw/zinc/37/09/34/175370934.db2.gz MCRUBWQKMDOZLR-CQSZACIVSA-N 1 0 258.406 2.040 10 0 CEAERO CC[N@H+](CCC[C@](C)([NH2+]C(C)C)C(=O)[O-])C1CC1 ZINC000045386481 175372632 /nfs/dbraw/zinc/37/26/32/175372632.db2.gz JCLQEFYMCMDNIU-AWEZNQCLSA-N 1 0 256.390 2.092 10 0 CEAERO CC[N@H+](CCC[C@@](C)(NC(C)C)C(=O)OC)C1CC1 ZINC000045386591 175372799 /nfs/dbraw/zinc/37/27/99/175372799.db2.gz WICMHVFVMJLXNX-OAHLLOKOSA-N 1 0 270.417 2.181 10 0 CEAERO CCCCC[N@H+](C)CCC[C@@](C)(NCC)C(=O)OC ZINC000045388141 175373999 /nfs/dbraw/zinc/37/39/99/175373999.db2.gz UGVMSMPLFODEMH-OAHLLOKOSA-N 1 0 272.433 2.430 10 0 CEAERO CCCN[C@@H](C[N@H+](C)C1CCCCCC1)C(=O)OC ZINC000045419085 175377365 /nfs/dbraw/zinc/37/73/65/175377365.db2.gz MEFDZHFCHBCXFM-AWEZNQCLSA-N 1 0 270.417 2.182 10 0 CEAERO COC(=O)[C@H](C[NH+](CC(C)C)CC(C)C)NC(C)C ZINC000045420373 175378362 /nfs/dbraw/zinc/37/83/62/175378362.db2.gz ODAAORDHAVRPNR-AWEZNQCLSA-N 1 0 272.433 2.140 10 0 CEAERO CC(C)C[NH+](CCC[C@@](C)([NH3+])C(=O)[O-])CC(C)C ZINC000045420338 175378751 /nfs/dbraw/zinc/37/87/51/175378751.db2.gz RJJXQAFOEBPUMV-CQSZACIVSA-N 1 0 258.406 2.183 10 0 CEAERO CCOC(=O)[C@](C)([NH3+])CCCN(CC(F)(F)F)C1CC1 ZINC000045420729 175378994 /nfs/dbraw/zinc/37/89/94/175378994.db2.gz AAIAHVAFDGINLU-GFCCVEGCSA-N 1 0 296.333 2.074 10 0 CEAERO CCCC[N@H+](C[C@H](NCCC)C(=O)OCC)C1CC1 ZINC000045421703 175380054 /nfs/dbraw/zinc/38/00/54/175380054.db2.gz XYXJPPVQJYKFPG-AWEZNQCLSA-N 1 0 270.417 2.182 10 0 CEAERO CCCC[N@H+](CCC[C@](C)([NH2+]C)C(=O)[O-])C1CC1 ZINC000045421751 175380622 /nfs/dbraw/zinc/38/06/22/175380622.db2.gz BGZPTRHBINOMLD-AWEZNQCLSA-N 1 0 256.390 2.094 10 0 CEAERO COCc1cc(NC2CC[NH2+]CC2)nc(-c2ccccc2)n1 ZINC000045947167 175387866 /nfs/dbraw/zinc/38/78/66/175387866.db2.gz PCFOBEKMETZAMG-UHFFFAOYSA-N 1 0 298.390 2.454 10 0 CEAERO CCC[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)C1CCCC1 ZINC000658239879 415275065 /nfs/dbraw/zinc/27/50/65/415275065.db2.gz GXHBTLHCAATFNF-JSGCOSHPSA-N 1 0 252.402 2.413 10 0 CEAERO CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(C)C2)s1 ZINC000658243472 415277426 /nfs/dbraw/zinc/27/74/26/415277426.db2.gz DKKJLLXYZKFSBP-MNOVXSKESA-N 1 0 266.410 2.439 10 0 CEAERO C[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1ccccc1Cl ZINC000658243742 415277974 /nfs/dbraw/zinc/27/79/74/415277974.db2.gz GGGVJTAJFQBUDN-WDEREUQCSA-N 1 0 266.772 2.469 10 0 CEAERO CN1C[C@H](C[NH2+]C(C2CCC2)C2CCC2)CC1=O ZINC000658243249 415279221 /nfs/dbraw/zinc/27/92/21/415279221.db2.gz YXEVEVLKWJCNBN-NSHDSACASA-N 1 0 250.386 2.023 10 0 CEAERO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC(=O)N(C)C2)cc1C ZINC000658245323 415280050 /nfs/dbraw/zinc/28/00/50/415280050.db2.gz RJDLSQYLDVCDHV-KBPBESRZSA-N 1 0 260.381 2.432 10 0 CEAERO C[C@H](CCc1ccccc1)[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000658245334 415281648 /nfs/dbraw/zinc/28/16/48/415281648.db2.gz RJOVNAOWEYAJRC-UKRRQHHQSA-N 1 0 260.381 2.076 10 0 CEAERO CC1(C)[C@H]([NH2+]C[C@H]2CCOC2(C)C)[C@@H]2CCO[C@H]21 ZINC000658332465 415322091 /nfs/dbraw/zinc/32/20/91/415322091.db2.gz UOWPYMOUUCZLMW-YVECIDJPSA-N 1 0 253.386 2.205 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC2(CC2)C1 ZINC000659296035 415495515 /nfs/dbraw/zinc/49/55/15/415495515.db2.gz VRCGPTSJBAMACX-OLZOCXBDSA-N 1 0 250.386 2.297 10 0 CEAERO O=C([C@@H]1C[NH2+]C[C@H]1C(F)(F)F)N1CCC2(CCC2)CC1 ZINC000664718443 415460643 /nfs/dbraw/zinc/46/06/43/415460643.db2.gz FHLNZZQCESWNPH-GHMZBOCLSA-N 1 0 290.329 2.177 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C3CCC4(CC4)CC3)C[C@H]12 ZINC000659305276 415502859 /nfs/dbraw/zinc/50/28/59/415502859.db2.gz GSEVOIFTWJRUTB-HZSPNIEDSA-N 1 0 262.397 2.153 10 0 CEAERO CCC[N@H+](CC(N)=S)Cc1ccc(OC)cc1 ZINC000070141850 175873664 /nfs/dbraw/zinc/87/36/64/175873664.db2.gz XATNSUHRIJDGMF-UHFFFAOYSA-N 1 0 252.383 2.193 10 0 CEAERO CCCCOC[C@H](O)C[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000656155784 415616227 /nfs/dbraw/zinc/61/62/27/415616227.db2.gz BSMSREHKKQOQAD-CABCVRRESA-N 1 0 285.428 2.245 10 0 CEAERO COCCC[NH2+]C[C@@H](C)n1cc(C(F)(F)F)cn1 ZINC000070467977 175947634 /nfs/dbraw/zinc/94/76/34/175947634.db2.gz DABYUTGYNBXZOG-SECBINFHSA-N 1 0 265.279 2.089 10 0 CEAERO CC[NH2+][C@](CO)(COc1cccc2cccnc21)C1CC1 ZINC000070517792 175966147 /nfs/dbraw/zinc/96/61/47/175966147.db2.gz PYDQWRDYRMEHAK-QGZVFWFLSA-N 1 0 286.375 2.364 10 0 CEAERO CC[NH2+][C@](C)(CO)CCSc1ncnc2ccccc21 ZINC000070521037 175966282 /nfs/dbraw/zinc/96/62/82/175966282.db2.gz YMSOYURRIFUKNL-HNNXBMFYSA-N 1 0 291.420 2.473 10 0 CEAERO CC(C)[NH2+]C[C@H](C)CN1CCc2ccccc2C1=O ZINC000070536765 175976064 /nfs/dbraw/zinc/97/60/64/175976064.db2.gz DDCGTMFCGQKVJB-ZDUSSCGKSA-N 1 0 260.381 2.319 10 0 CEAERO [NH3+]Cc1ccc(F)c(CN2CCc3ccccc3C2=O)c1 ZINC000070544513 175978957 /nfs/dbraw/zinc/97/89/57/175978957.db2.gz PEYKEHVSMNQQBM-UHFFFAOYSA-N 1 0 284.334 2.483 10 0 CEAERO C[C@H](O)c1ccccc1NC(=O)c1ccccc1CC[NH3+] ZINC000070552759 175981596 /nfs/dbraw/zinc/98/15/96/175981596.db2.gz SUZMBTHNUDDZOF-LBPRGKRZSA-N 1 0 284.359 2.493 10 0 CEAERO [NH3+]CCc1ccc(C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000070552842 175981892 /nfs/dbraw/zinc/98/18/92/175981892.db2.gz VNLAFYKSQHTJLA-SJORKVTESA-N 1 0 280.371 2.474 10 0 CEAERO NNc1ccc(C(=O)NCc2ccc(Cl)s2)c[nH+]1 ZINC000070600881 175996301 /nfs/dbraw/zinc/99/63/01/175996301.db2.gz HWCWQASNGJTGLE-UHFFFAOYSA-N 1 0 282.756 2.012 10 0 CEAERO [NH3+][C@@H]1CCC(=O)N[C@@H]1c1cccc(Cl)c1Cl ZINC000070824493 176008191 /nfs/dbraw/zinc/00/81/91/176008191.db2.gz ZYWUOOHXBIRLEQ-LDYMZIIASA-N 1 0 259.136 2.272 10 0 CEAERO Cc1ccc([C@H]2[C@H]([NH3+])CCC(=O)N2C2CC2)s1 ZINC000070987553 176018361 /nfs/dbraw/zinc/01/83/61/176018361.db2.gz CHMAWRNOFBBWMD-ZWNOBZJWSA-N 1 0 250.367 2.210 10 0 CEAERO Cc1ccc([C@@H]2[C@H]([NH3+])CCC(=O)N2C(C)C)s1 ZINC000070987021 176018460 /nfs/dbraw/zinc/01/84/60/176018460.db2.gz FCGGCBHSQMPWQD-MFKMUULPSA-N 1 0 252.383 2.456 10 0 CEAERO Cc1nn(Cc2ccc3c(c2)CCC3)c(C)c1C[NH3+] ZINC000071029491 176021967 /nfs/dbraw/zinc/02/19/67/176021967.db2.gz XBEKITMHUWVUMP-UHFFFAOYSA-N 1 0 255.365 2.496 10 0 CEAERO Cc1ccc(CN2CCC[C@@H]([NH2+]C3CC3)C2=O)cc1 ZINC000071033089 176023603 /nfs/dbraw/zinc/02/36/03/176023603.db2.gz QKOJMJOEBOTUDE-OAHLLOKOSA-N 1 0 258.365 2.238 10 0 CEAERO CCC[NH2+][C@@H]1CCCN(Cc2ccccc2F)C1=O ZINC000071032828 176023856 /nfs/dbraw/zinc/02/38/56/176023856.db2.gz QLCGLFNAWLQNKV-CQSZACIVSA-N 1 0 264.344 2.316 10 0 CEAERO CCC1CCC(N2CC[C@@H]([NH2+]C3CC3)C2=O)CC1 ZINC000071035270 176024803 /nfs/dbraw/zinc/02/48/03/176024803.db2.gz JBCTWTGDKGUSKI-UXUKBGGZSA-N 1 0 250.386 2.308 10 0 CEAERO C[NH2+][C@@H]1CCCN([C@@H](C)c2cc(C)oc2C)C1=O ZINC000071035200 176024926 /nfs/dbraw/zinc/02/49/26/176024926.db2.gz DZCJPZPTXVSLLZ-GXFFZTMASA-N 1 0 250.342 2.168 10 0 CEAERO Cc1cc([C@H](C)N2CC[C@H]([NH2+]C3CC3)C2=O)c(C)o1 ZINC000071035189 176024935 /nfs/dbraw/zinc/02/49/35/176024935.db2.gz JYYOFJADCNFFCR-HZMBPMFUSA-N 1 0 262.353 2.310 10 0 CEAERO C[NH2+][C@@H]1CCCN([C@H](C)c2sc(C)nc2C)C1=O ZINC000071036214 176025406 /nfs/dbraw/zinc/02/54/06/176025406.db2.gz JULPARKQOQTTFU-MWLCHTKSSA-N 1 0 267.398 2.031 10 0 CEAERO CC[NH2+][C@H]1CCCN([C@@H](C)CCc2ccco2)C1=O ZINC000071036768 176025798 /nfs/dbraw/zinc/02/57/98/176025798.db2.gz FMUIDOJXPGJZTH-JSGCOSHPSA-N 1 0 264.369 2.201 10 0 CEAERO CC(C)[NH2+][C@H]1CCN(Cc2ccccc2Cl)C1=O ZINC000071037820 176026695 /nfs/dbraw/zinc/02/66/95/176026695.db2.gz FVMLVQOTXPAJCB-ZDUSSCGKSA-N 1 0 266.772 2.439 10 0 CEAERO CCC[NH2+][C@H]1CCCN([C@H]2COc3ccccc32)C1=O ZINC000071044267 176029642 /nfs/dbraw/zinc/02/96/42/176029642.db2.gz MRROBGNPXLXRJZ-KBPBESRZSA-N 1 0 274.364 2.111 10 0 CEAERO CN(C)C(C)(C)C[NH2+]C[C@H]1OCCc2ccccc21 ZINC000071090972 176031013 /nfs/dbraw/zinc/03/10/13/176031013.db2.gz HOCXHMKRFBUMNI-OAHLLOKOSA-N 1 0 262.397 2.230 10 0 CEAERO NC(=S)CC[N@H+](C[C@@H]1OCCc2ccccc21)C1CC1 ZINC000071091330 176031861 /nfs/dbraw/zinc/03/18/61/176031861.db2.gz NBPWWMYFSSHIAI-HNNXBMFYSA-N 1 0 290.432 2.441 10 0 CEAERO CC[C@H]1CCC[C@H]([NH2+][C@@H]2CCCS(=O)(=O)C2)C1 ZINC000071122313 176035366 /nfs/dbraw/zinc/03/53/66/176035366.db2.gz QKHSHQUENNVSRK-RWMBFGLXSA-N 1 0 259.415 2.122 10 0 CEAERO CC[C@@H]1CCC[C@](CN)([NH+]2CCC(OC)CC2)C1 ZINC000071123290 176035388 /nfs/dbraw/zinc/03/53/88/176035388.db2.gz IRHMWYYCUXQNNP-HIFRSBDPSA-N 1 0 254.418 2.395 10 0 CEAERO CC(C)[C@@H](C[NH2+]C(C)(C)C)Sc1nncn1C ZINC000071137912 176036366 /nfs/dbraw/zinc/03/63/66/176036366.db2.gz XDNDWCIMOXGYIO-SNVBAGLBSA-N 1 0 256.419 2.320 10 0 CEAERO CCC[C@H](C)[C@@H]([NH3+])c1ccc2c(c1)C(=O)N(C)C(=O)C2 ZINC000071139400 176038108 /nfs/dbraw/zinc/03/81/08/176038108.db2.gz KZASRWSCBYCAKP-ZUZCIYMTSA-N 1 0 274.364 2.277 10 0 CEAERO C[NH2+]C[C@@H]1CCN(Cc2cc(Cl)cc3c2OCOC3)C1 ZINC000071145281 176042224 /nfs/dbraw/zinc/04/22/24/176042224.db2.gz QENRJKSFBMVLMZ-NSHDSACASA-N 1 0 296.798 2.248 10 0 CEAERO C[NH2+]C[C@H]1CCN(CCSc2ccccc2F)C1 ZINC000071147102 176043098 /nfs/dbraw/zinc/04/30/98/176043098.db2.gz NGKHZUKWJULMQM-GFCCVEGCSA-N 1 0 268.401 2.459 10 0 CEAERO CC[C@@H]1CCCC[C@@]1(CN)[N@H+](CCCOC)CCOC ZINC000071161919 176046464 /nfs/dbraw/zinc/04/64/64/176046464.db2.gz KNSRLTBGGHZJBT-CVEARBPZSA-N 1 0 286.460 2.269 10 0 CEAERO COc1ccc(C[C@@](C)(CN)[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000071169156 176050049 /nfs/dbraw/zinc/05/00/49/176050049.db2.gz CFUAOZAZKCFCPE-CJNGLKHVSA-N 1 0 262.397 2.297 10 0 CEAERO [NH3+]Cc1cnc(Sc2ncnc3ccccc32)cn1 ZINC000071178559 176055593 /nfs/dbraw/zinc/05/55/93/176055593.db2.gz LVZQLXXEMVPGFN-UHFFFAOYSA-N 1 0 269.333 2.030 10 0 CEAERO CCC[NH2+][C@H](C)c1ccccc1O[C@H]1CCN(C)C1=O ZINC000071182923 176057935 /nfs/dbraw/zinc/05/79/35/176057935.db2.gz XKAZORDIQJVQPS-DOMZBBRYSA-N 1 0 276.380 2.357 10 0 CEAERO [NH3+]Cc1ccc(N[C@@H](CO)Cc2ccccc2)cc1 ZINC000071187505 176060481 /nfs/dbraw/zinc/06/04/81/176060481.db2.gz LZXUDQGDZVGZRO-MRXNPFEDSA-N 1 0 256.349 2.161 10 0 CEAERO C[C@@H](C(=O)c1ccc(F)c(F)c1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189983 176065448 /nfs/dbraw/zinc/06/54/48/176065448.db2.gz ZNHWIGQIFVLPPM-NWDGAFQWSA-N 1 0 296.361 2.420 10 0 CEAERO C(CN1CC[C@@H]([NH2+]C2CC2)C1)OC1CCCCC1 ZINC000071199916 176077136 /nfs/dbraw/zinc/07/71/36/176077136.db2.gz QPCLDXTWMCMWPE-CQSZACIVSA-N 1 0 252.402 2.162 10 0 CEAERO Fc1ccc(CN2CC[C@@H]([NH2+]C3CC3)C2)cc1F ZINC000071200642 176077583 /nfs/dbraw/zinc/07/75/83/176077583.db2.gz OHEHSPYRGNDMAI-GFCCVEGCSA-N 1 0 252.308 2.291 10 0 CEAERO CC(C)[NH2+][C@H]1CCCN(CCc2nccs2)C1 ZINC000071200264 176077753 /nfs/dbraw/zinc/07/77/53/176077753.db2.gz ZOXNYJLKMQCKLA-LBPRGKRZSA-N 1 0 253.415 2.148 10 0 CEAERO COc1cc(OC)c([C@H]2C[NH2+][C@@H](C)C2)c(OC)c1 ZINC000071202257 176078172 /nfs/dbraw/zinc/07/81/72/176078172.db2.gz QUNCETRHAHGWNR-VHSXEESVSA-N 1 0 251.326 2.178 10 0 CEAERO C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(C(N)=O)ccc1F ZINC000071207302 176080782 /nfs/dbraw/zinc/08/07/82/176080782.db2.gz KEFHFFRWUZAIIA-NOZJJQNGSA-N 1 0 250.317 2.203 10 0 CEAERO CCCC1(C(=O)N[C@H]2CCC[C@@H]2C)CC[NH2+]CC1 ZINC000071209042 176081611 /nfs/dbraw/zinc/08/16/11/176081611.db2.gz NHYMCWMDVRRHKM-STQMWFEESA-N 1 0 252.402 2.461 10 0 CEAERO C[NH2+][C@H](C)c1cccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2C)c1 ZINC000071209876 176082046 /nfs/dbraw/zinc/08/20/46/176082046.db2.gz NIMWVPWWQVUMJM-YWPYICTPSA-N 1 0 296.436 2.434 10 0 CEAERO C[C@@H]([NH3+])c1cccc(S(=O)(=O)N[C@H]2CCC[C@@H]2C)c1 ZINC000071209858 176082064 /nfs/dbraw/zinc/08/20/64/176082064.db2.gz DXQHMTDCHBYIHM-WDMOLILDSA-N 1 0 282.409 2.173 10 0 CEAERO C[NH2+][C@H](C)CCCn1cc(C(F)(F)F)ccc1=O ZINC000071211973 176083859 /nfs/dbraw/zinc/08/38/59/176083859.db2.gz HYNGWNWSZCCCCH-SECBINFHSA-N 1 0 262.275 2.255 10 0 CEAERO C[C@H]1CN(Cc2ccc(F)cc2C(N)=[NH2+])CC(C)(C)O1 ZINC000071267955 176101690 /nfs/dbraw/zinc/10/16/90/176101690.db2.gz RUNZOTCTWDXOSU-JTQLQIEISA-N 1 0 279.359 2.109 10 0 CEAERO NC(=[NH2+])c1cc(F)ccc1COc1ccc2c(c1)OCO2 ZINC000071268234 176101793 /nfs/dbraw/zinc/10/17/93/176101793.db2.gz ZDFBLLAKBSREGA-UHFFFAOYSA-N 1 0 288.278 2.417 10 0 CEAERO C[NH2+][C@H](C)c1cccc(NC(=O)NCc2nccn2C)c1 ZINC000071274501 176105949 /nfs/dbraw/zinc/10/59/49/176105949.db2.gz PUZACHWYPDWLHJ-LLVKDONJSA-N 1 0 287.367 2.022 10 0 CEAERO C[NH2+]CCCCCCn1nnc(-c2ccccc2)n1 ZINC000071290296 176110513 /nfs/dbraw/zinc/11/05/13/176110513.db2.gz MJOYYRSUYOCJKP-UHFFFAOYSA-N 1 0 259.357 2.120 10 0 CEAERO CCOC(=O)CCCCC[N@H+](CCCO)C(C)C ZINC000071293243 176110911 /nfs/dbraw/zinc/11/09/11/176110911.db2.gz MVEOAFPDEIZVAW-UHFFFAOYSA-N 1 0 259.390 2.203 10 0 CEAERO C[C@H]1CCCC[N@@H+]1CCC[NH2+]CCCCCC(=O)[O-] ZINC000071293006 176110925 /nfs/dbraw/zinc/11/09/25/176110925.db2.gz SALPXJPJRZJKJN-AWEZNQCLSA-N 1 0 270.417 2.486 10 0 CEAERO CCOC(=O)CCCCC[NH2+][C@H]1CCCC[C@H]1O ZINC000071297292 176112100 /nfs/dbraw/zinc/11/21/00/176112100.db2.gz DUJOLILZHVOPDG-QWHCGFSZSA-N 1 0 257.374 2.003 10 0 CEAERO CC(C)Cc1ccc([C@H](O)C[NH2+]C[C@H](O)C2CC2)cc1 ZINC000071306047 176115453 /nfs/dbraw/zinc/11/54/53/176115453.db2.gz NCCMRCIRWGPHCN-SJORKVTESA-N 1 0 277.408 2.279 10 0 CEAERO c1cc2c(cc1[C@@H]1C[NH2+]C[C@@H](C3CC3)O1)OCCCO2 ZINC000071308805 176116217 /nfs/dbraw/zinc/11/62/17/176116217.db2.gz FYFJELGSCHXVIB-HOTGVXAUSA-N 1 0 275.348 2.287 10 0 CEAERO CC(C)n1cc(Cl)cc1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000071309978 176116772 /nfs/dbraw/zinc/11/67/72/176116772.db2.gz GPCZYEAEIVSHPS-LLVKDONJSA-N 1 0 269.776 2.156 10 0 CEAERO Cc1cccc(NC(=O)CCCN(C)[C@@H]2CC[NH2+]C2)c1 ZINC000071310663 176117650 /nfs/dbraw/zinc/11/76/50/176117650.db2.gz VNONERQVCNOUST-OAHLLOKOSA-N 1 0 275.396 2.007 10 0 CEAERO Cc1cc(Cl)c(CN(C)[C@H]2CC[NH2+]C2)c(Cl)n1 ZINC000071311061 176118167 /nfs/dbraw/zinc/11/81/67/176118167.db2.gz GHCDDZQNASJLDB-VIFPVBQESA-N 1 0 274.195 2.491 10 0 CEAERO CCN(C(=O)c1cc(Cl)c(Cl)[nH]1)[C@H]1CC[NH2+]C1 ZINC000071312555 176119223 /nfs/dbraw/zinc/11/92/23/176119223.db2.gz JWDIAAWRNDZPJI-ZETCQYMHSA-N 1 0 276.167 2.146 10 0 CEAERO CCN([C@H](C)c1c(C)nn(CC)c1C)[C@@H]1CC[NH2+]C1 ZINC000071312369 176119319 /nfs/dbraw/zinc/11/93/19/176119319.db2.gz DWUOCRPQJLBHPH-TZMCWYRMSA-N 1 0 264.417 2.265 10 0 CEAERO CCCN(CC(=O)Nc1cc(F)ccc1C)[C@H]1CC[NH2+]C1 ZINC000071331522 176125175 /nfs/dbraw/zinc/12/51/75/176125175.db2.gz BEWKBQGFSJHEKQ-AWEZNQCLSA-N 1 0 293.386 2.147 10 0 CEAERO CCCN(c1ncnc2sccc21)[C@@H]1CC[NH2+]C1 ZINC000071332717 176125569 /nfs/dbraw/zinc/12/55/69/176125569.db2.gz XFUVUVLKDXQUKD-SNVBAGLBSA-N 1 0 262.382 2.270 10 0 CEAERO Cc1cccc(C(=O)NC[C@H]2[NH2+]CCC[C@H]2C)c1C ZINC000071338496 176128856 /nfs/dbraw/zinc/12/88/56/176128856.db2.gz PEQXSGHPAOFLPK-IUODEOHRSA-N 1 0 260.381 2.421 10 0 CEAERO C[C@H]1CCC[NH2+][C@H]1CNC(=O)CC1CCCCC1 ZINC000071338727 176129043 /nfs/dbraw/zinc/12/90/43/176129043.db2.gz CNOGLYDFJRBHJU-JSGCOSHPSA-N 1 0 252.402 2.461 10 0 CEAERO COc1cc(C(=O)NC[C@H]2[NH2+]CCC[C@H]2C)ccc1C ZINC000071338668 176129159 /nfs/dbraw/zinc/12/91/59/176129159.db2.gz SGEDVUFGNASYTC-BXUZGUMPSA-N 1 0 276.380 2.122 10 0 CEAERO C[C@H]1CCC[NH2+][C@H]1CNC(=O)Nc1ccccc1F ZINC000071338942 176129526 /nfs/dbraw/zinc/12/95/26/176129526.db2.gz NOPPNOPYOHBBIQ-GWCFXTLKSA-N 1 0 265.332 2.335 10 0 CEAERO CC(C)[C@H]1CN(Cc2cnn(C)c2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000071342189 176130268 /nfs/dbraw/zinc/13/02/68/176130268.db2.gz WERSTIQZFGFQFA-HZPDHXFCSA-N 1 0 276.428 2.019 10 0 CEAERO CC(C)(C)[C@H]1CNC(C)(C)C[N@@H+]1CCCn1ccnc1 ZINC000071342847 176130649 /nfs/dbraw/zinc/13/06/49/176130649.db2.gz PUHIHTYRVKBYNO-CQSZACIVSA-N 1 0 278.444 2.372 10 0 CEAERO CCC[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1Cc1ncccn1 ZINC000071346685 176131903 /nfs/dbraw/zinc/13/19/03/176131903.db2.gz NUHLNRLNJRKBBP-KGLIPLIRSA-N 1 0 276.428 2.465 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1Cc1ncccn1 ZINC000071347005 176132110 /nfs/dbraw/zinc/13/21/10/176132110.db2.gz IFUJAWASHHVNLO-KBPBESRZSA-N 1 0 276.428 2.321 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@@H](C(C)(C)C)CN1Cc1cnn(C)c1 ZINC000071348653 176132531 /nfs/dbraw/zinc/13/25/31/176132531.db2.gz DFYSUOZOOYPCJF-ZBFHGGJFSA-N 1 0 278.444 2.409 10 0 CEAERO CCC[C@@H]1C[NH2+][C@H](CC(C)C)CN1CCn1cccn1 ZINC000071350290 176133778 /nfs/dbraw/zinc/13/37/78/176133778.db2.gz IZQNUGXKGWOSRG-HZPDHXFCSA-N 1 0 278.444 2.372 10 0 CEAERO CC(C)C[C@H]1CN(Cc2cnn(C)c2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000071352382 176134829 /nfs/dbraw/zinc/13/48/29/176134829.db2.gz PMDGVJUVQRPATD-DLBZAZTESA-N 1 0 290.455 2.409 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](Cc2ccccc2)CN1C[C@@H]1CCCO1 ZINC000071352754 176135600 /nfs/dbraw/zinc/13/56/00/176135600.db2.gz KSCHALJMRBODPV-BZSNNMDCSA-N 1 0 288.435 2.461 10 0 CEAERO COCCN1C[C@@H](Cc2ccccc2)[NH2+]CC12CCCC2 ZINC000071353433 176135994 /nfs/dbraw/zinc/13/59/94/176135994.db2.gz XNVJSFJMPYNTSK-QGZVFWFLSA-N 1 0 288.435 2.462 10 0 CEAERO Cn1cc(CN2CC3(CCCC3)[NH2+]C[C@]2(C)C2CC2)cn1 ZINC000071359225 176137459 /nfs/dbraw/zinc/13/74/59/176137459.db2.gz OQANNGNPZGORLJ-MRXNPFEDSA-N 1 0 288.439 2.307 10 0 CEAERO CCn1c(C[NH3+])nnc1SCc1ccccc1OC ZINC000071374992 176140733 /nfs/dbraw/zinc/14/07/33/176140733.db2.gz KJBXTZGIICJUKK-UHFFFAOYSA-N 1 0 278.381 2.058 10 0 CEAERO CC(C)n1cc(N)cc1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000071376468 176141409 /nfs/dbraw/zinc/14/14/09/176141409.db2.gz GUABFXWSDNQUDP-UHFFFAOYSA-N 1 0 292.427 2.255 10 0 CEAERO Cc1ccc(N)c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000071383232 176146734 /nfs/dbraw/zinc/14/67/34/176146734.db2.gz YPRNOLMRUSWYQS-CQSZACIVSA-N 1 0 287.407 2.278 10 0 CEAERO Cc1cnn(-c2nc3ccccc3cc2C(N)=[NH2+])c1 ZINC000071390273 176148524 /nfs/dbraw/zinc/14/85/24/176148524.db2.gz WYBVTBFMRMZDDV-UHFFFAOYSA-N 1 0 251.293 2.013 10 0 CEAERO CCc1cc2c(ncnc2N[C@@H]2CCC[NH2+]C2)s1 ZINC000071397636 176151323 /nfs/dbraw/zinc/15/13/23/176151323.db2.gz GDESQFKSMCJVJE-SECBINFHSA-N 1 0 262.382 2.418 10 0 CEAERO CCOC(=O)COc1ccc(C[NH3+])cc1C(F)(F)F ZINC000071398394 176151651 /nfs/dbraw/zinc/15/16/51/176151651.db2.gz WCCXCXYNYZVHLU-UHFFFAOYSA-N 1 0 277.242 2.106 10 0 CEAERO C[NH2+]Cc1ccc(OCCOC)c(C(F)(F)F)c1 ZINC000071398567 176151767 /nfs/dbraw/zinc/15/17/67/176151767.db2.gz XHNSPTOCCRGDOA-UHFFFAOYSA-N 1 0 263.259 2.450 10 0 CEAERO COCCN(C(=O)CC[C@@H]([NH3+])c1ccccc1)C1CC1 ZINC000071400780 176153114 /nfs/dbraw/zinc/15/31/14/176153114.db2.gz JBWPUDLQHPHQOM-OAHLLOKOSA-N 1 0 276.380 2.104 10 0 CEAERO CCCCOC(=O)COc1ccc(C)cc1C[NH2+]C ZINC000071403467 176154619 /nfs/dbraw/zinc/15/46/19/176154619.db2.gz OOGWHRDGXXTPPC-UHFFFAOYSA-N 1 0 265.353 2.437 10 0 CEAERO CC[NH2+]Cc1cc(C)ccc1OCCCC(=O)OC ZINC000071403872 176155409 /nfs/dbraw/zinc/15/54/09/176155409.db2.gz VKRTUXCOWKOFGC-UHFFFAOYSA-N 1 0 265.353 2.437 10 0 CEAERO CCOC(=O)[C@H](C)Oc1ccc(C)cc1C[NH2+]CCOC ZINC000071407446 176156200 /nfs/dbraw/zinc/15/62/00/176156200.db2.gz GBPBTESUMMVPTI-ZDUSSCGKSA-N 1 0 295.379 2.061 10 0 CEAERO CCOC(=O)[C@H](C)Oc1ccc(C)cc1C[C@@H](C)[NH3+] ZINC000071411792 176157219 /nfs/dbraw/zinc/15/72/19/176157219.db2.gz BLMSJHOXIRRTGW-NEPJUHHUSA-N 1 0 265.353 2.215 10 0 CEAERO Cc1ccc(O[C@H](C)C(=O)N2CCCC2)c(C[C@H](C)[NH3+])c1 ZINC000071411698 176157236 /nfs/dbraw/zinc/15/72/36/176157236.db2.gz XWNLVOQHKDXKLC-UONOGXRCSA-N 1 0 290.407 2.274 10 0 CEAERO CC(C)Oc1cccc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000071412888 176158061 /nfs/dbraw/zinc/15/80/61/176158061.db2.gz UTHQTLBHAGKWJM-WFASDCNBSA-N 1 0 276.380 2.202 10 0 CEAERO COc1ccc(C[C@@H](O)C[NH2+]C2CC2)cc1Cl ZINC000071576873 176205173 /nfs/dbraw/zinc/20/51/73/176205173.db2.gz OPKVLWRBBSUNFC-LLVKDONJSA-N 1 0 255.745 2.004 10 0 CEAERO COc1ccccc1-c1nc(COCC[NH3+])cs1 ZINC000071596799 176219933 /nfs/dbraw/zinc/21/99/33/176219933.db2.gz MLVDGHKSKQIOCO-UHFFFAOYSA-N 1 0 264.350 2.294 10 0 CEAERO C[NH2+][C@H](C(C)C)[C@H](O)c1cc(OC)c(C)cc1OC ZINC000071599194 176223356 /nfs/dbraw/zinc/22/33/56/176223356.db2.gz SSPHWIBBJSQMFZ-HUUCEWRRSA-N 1 0 267.369 2.290 10 0 CEAERO COc1ccc(Br)cc1[C@H](O)[C@@H]([NH3+])C(C)C ZINC000071644297 176239569 /nfs/dbraw/zinc/23/95/69/176239569.db2.gz NNSIDCGLZZVBRA-RYUDHWBXSA-N 1 0 288.185 2.474 10 0 CEAERO O=C1N(CC2CCCCC2)CCC[C@]12CC[NH2+]C2 ZINC000072157980 176329280 /nfs/dbraw/zinc/32/92/80/176329280.db2.gz DRBHXMXPHIWRSB-OAHLLOKOSA-N 1 0 250.386 2.169 10 0 CEAERO C[C@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)c1ccc2c(c1)CCCC2 ZINC000662450681 415848921 /nfs/dbraw/zinc/84/89/21/415848921.db2.gz FDGDIFNQLIITER-UVBJJODRSA-N 1 0 272.392 2.480 10 0 CEAERO CO[C@H](C[N@@H+]1C[C@H]2CCCCN2C[C@H]1C)C1CCC1 ZINC000659935787 415793134 /nfs/dbraw/zinc/79/31/34/415793134.db2.gz NCKQHGIFTKACDH-FVQBIDKESA-N 1 0 266.429 2.360 10 0 CEAERO O[C@@H](c1ccc2c(c1)OCCCO2)[C@H]1CCCC[NH2+]1 ZINC000074369524 176533648 /nfs/dbraw/zinc/53/36/48/176533648.db2.gz FBRTWTUDUVHXJT-DOMZBBRYSA-N 1 0 263.337 2.023 10 0 CEAERO O=C([C@H]1CCC[NH2+]C1)N1CCC(C2CCC2)CC1 ZINC000662631923 415913697 /nfs/dbraw/zinc/91/36/97/415913697.db2.gz KODIAEWFVKTZBJ-AWEZNQCLSA-N 1 0 250.386 2.025 10 0 CEAERO COC[C@H]([NH3+])C(=O)N(C)C1CC(C)(C)CC(C)(C)C1 ZINC000662642994 415917005 /nfs/dbraw/zinc/91/70/05/415917005.db2.gz HZOABDXKZUPKKY-LBPRGKRZSA-N 1 0 270.417 2.023 10 0 CEAERO O=C([C@@H]1CCCO1)N1CCC([NH+]2CCCCCC2)CC1 ZINC000074582195 176589297 /nfs/dbraw/zinc/58/92/97/176589297.db2.gz CANRTHVQMMGNCY-HNNXBMFYSA-N 1 0 280.412 2.032 10 0 CEAERO COc1ccc(C(=O)[C@H](C[NH3+])C(C)C)c(OC)c1 ZINC000075730752 176764047 /nfs/dbraw/zinc/76/40/47/176764047.db2.gz XADTYPNIYAHLGO-GFCCVEGCSA-N 1 0 251.326 2.117 10 0 CEAERO CN(CC[NH3+])CCOc1ccc(Cl)c(Cl)c1 ZINC000076358513 177000814 /nfs/dbraw/zinc/00/08/14/177000814.db2.gz BBRBNYCOPTVEER-UHFFFAOYSA-N 1 0 263.168 2.263 10 0 CEAERO C[NH2+]CCC(=O)N(C)c1ccc(C(C)C)cc1OC ZINC000076369137 177006343 /nfs/dbraw/zinc/00/63/43/177006343.db2.gz KAQXWIPVQGHLSW-UHFFFAOYSA-N 1 0 264.369 2.391 10 0 CEAERO [NH3+]CCC(=O)OCCc1ccc2c(c1)CCCS2 ZINC000076372726 177008911 /nfs/dbraw/zinc/00/89/11/177008911.db2.gz TVEDHJZGSCACRD-UHFFFAOYSA-N 1 0 265.378 2.159 10 0 CEAERO CCc1ccc(OC[C@@H](O)C[NH2+]C(C)(C)COC)cc1 ZINC000076495211 177029125 /nfs/dbraw/zinc/02/91/25/177029125.db2.gz ZIOFIPWRCKHVKJ-AWEZNQCLSA-N 1 0 281.396 2.003 10 0 CEAERO CC(C)Oc1ccc(NC(=O)C[C@H](C)C[NH3+])cc1 ZINC000076654706 177044334 /nfs/dbraw/zinc/04/43/34/177044334.db2.gz MPDVSNLJITYHRI-NSHDSACASA-N 1 0 250.342 2.397 10 0 CEAERO CCN(Cc1ccc(OC)c(C(C)C)c1)C(=O)C[NH3+] ZINC000076680151 177057859 /nfs/dbraw/zinc/05/78/59/177057859.db2.gz ADTGUVPZHOESBC-UHFFFAOYSA-N 1 0 264.369 2.126 10 0 CEAERO [NH3+]Cc1cncn1-c1ccc(Br)cc1 ZINC000076694767 177059964 /nfs/dbraw/zinc/05/99/64/177059964.db2.gz XDSQNIIGUZTQHN-UHFFFAOYSA-N 1 0 252.115 2.094 10 0 CEAERO CC[NH2+]Cc1cn2c(cccc2Br)n1 ZINC000076792291 177097301 /nfs/dbraw/zinc/09/73/01/177097301.db2.gz GZLFPAYXVAAMRC-UHFFFAOYSA-N 1 0 254.131 2.206 10 0 CEAERO COC[C@@](C)([NH3+])c1cc(Br)cs1 ZINC000077430001 177266325 /nfs/dbraw/zinc/26/63/25/177266325.db2.gz KRLMOZAHQGNVFQ-MRVPVSSYSA-N 1 0 250.161 2.331 10 0 CEAERO CC(C)C[C@@H](C)N(C)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000078538926 177352010 /nfs/dbraw/zinc/35/20/10/177352010.db2.gz BFLUJTVMSSMMRA-OLZOCXBDSA-N 1 0 252.402 2.269 10 0 CEAERO CC[N@H+](CC(=O)Nc1cc(F)ccc1C)CC(C)(C)O ZINC000078748004 177381245 /nfs/dbraw/zinc/38/12/45/177381245.db2.gz GPAWFHRPLWLBGO-UHFFFAOYSA-N 1 0 282.359 2.165 10 0 CEAERO CC[N@H+](C[C@@H]1OCCc2ccccc21)CC(C)(C)O ZINC000078838365 177396807 /nfs/dbraw/zinc/39/68/07/177396807.db2.gz GJEUZBHWBVWOOH-HNNXBMFYSA-N 1 0 263.381 2.393 10 0 CEAERO COCCN(C(=O)CC[C@@H](C)CC[NH3+])[C@@H](C)C1CC1 ZINC000079118593 177436398 /nfs/dbraw/zinc/43/63/98/177436398.db2.gz PVBWPWNSGAPXTG-OLZOCXBDSA-N 1 0 270.417 2.025 10 0 CEAERO CC[C@@H](CC[NH3+])CCC(=O)NCc1ccc(C)n1C ZINC000079208306 177446494 /nfs/dbraw/zinc/44/64/94/177446494.db2.gz DOMAANKLCMYECP-CYBMUJFWSA-N 1 0 265.401 2.105 10 0 CEAERO CCC[C@H](CC[NH3+])CCC(=O)NCC(F)(F)F ZINC000079235624 177452895 /nfs/dbraw/zinc/45/28/95/177452895.db2.gz HIIDSZWIFDLCBL-VIFPVBQESA-N 1 0 254.296 2.210 10 0 CEAERO C[C@@H]1CCC(=O)N(Cc2cc(C[NH3+])ccc2F)CC1 ZINC000079245041 177455518 /nfs/dbraw/zinc/45/55/18/177455518.db2.gz MPXPATOXRZQVNA-LLVKDONJSA-N 1 0 264.344 2.433 10 0 CEAERO CC(C)[C@@H](CC[NH3+])CCC(=O)N(C)CC(F)(F)F ZINC000079276478 177461320 /nfs/dbraw/zinc/46/13/20/177461320.db2.gz GPUXTDJCPWEHGW-SNVBAGLBSA-N 1 0 268.323 2.408 10 0 CEAERO CC[NH2+][C@H]1CCC(C)(C)C[C@H]1N(C)Cc1cnn(C)c1 ZINC000079623552 177527936 /nfs/dbraw/zinc/52/79/36/177527936.db2.gz NJDBFQMZWVGBDT-LSDHHAIUSA-N 1 0 278.444 2.409 10 0 CEAERO COc1cccc(NC(=O)N(CCC(N)=[NH2+])C2CC2)c1 ZINC000079777749 177556970 /nfs/dbraw/zinc/55/69/70/177556970.db2.gz KRAZVRLMSUISFX-UHFFFAOYSA-N 1 0 276.340 2.018 10 0 CEAERO CCNC(=O)N(CC)C1(C[NH3+])CCC(CC)CC1 ZINC000079869227 177572811 /nfs/dbraw/zinc/57/28/11/177572811.db2.gz CTWFDNPUUVLWTP-UHFFFAOYSA-N 1 0 255.406 2.336 10 0 CEAERO Cc1nn(CCOc2ccc(C(N)=[NH2+])cc2)cc1Cl ZINC000080011869 177594983 /nfs/dbraw/zinc/59/49/83/177594983.db2.gz WJQHPLCWIWBWNW-UHFFFAOYSA-N 1 0 278.743 2.208 10 0 CEAERO COc1cc(NC(=O)C[C@@H]([NH3+])C(C)C)cc(OC)c1OC ZINC000136294325 419443180 /nfs/dbraw/zinc/44/31/80/419443180.db2.gz ABZQOJFGDDLOKE-LLVKDONJSA-N 1 0 296.367 2.024 10 0 CEAERO COc1ccc(NC(=O)C[C@H]([NH3+])C(C)C)c(C)c1 ZINC000136455000 419446085 /nfs/dbraw/zinc/44/60/85/419446085.db2.gz BNAHFVUOCABRLM-LBPRGKRZSA-N 1 0 250.342 2.316 10 0 CEAERO Cc1cc([C@@H]2CCCN2C(=O)C[C@@H]([NH3+])C(C)C)on1 ZINC000136401372 419446350 /nfs/dbraw/zinc/44/63/50/419446350.db2.gz MBLRBVKSWLDLCG-NEPJUHHUSA-N 1 0 265.357 2.020 10 0 CEAERO COc1ccc(F)c(NC(=O)C[C@@H]([NH3+])C(C)C)c1 ZINC000136489713 419446652 /nfs/dbraw/zinc/44/66/52/419446652.db2.gz JIGMNXUGZQZUKS-LLVKDONJSA-N 1 0 254.305 2.146 10 0 CEAERO COc1ccc(N(C)C(=O)C[C@H]([NH3+])C(C)C)cc1 ZINC000136447738 419446720 /nfs/dbraw/zinc/44/67/20/419446720.db2.gz CKZCXNYWOGQZDB-ZDUSSCGKSA-N 1 0 250.342 2.031 10 0 CEAERO O[C@@H](C[NH2+]C[C@@H]1CCCC1(F)F)COCc1ccco1 ZINC000390888592 270340132 /nfs/dbraw/zinc/34/01/32/270340132.db2.gz ZTTZJXXSPJOPMP-RYUDHWBXSA-N 1 0 289.322 2.182 10 0 CEAERO CCOC(=O)N1CCC([NH2+][C@H](CC(C)C)CN(C)C)CC1 ZINC000037321498 270225465 /nfs/dbraw/zinc/22/54/65/270225465.db2.gz NOTYQUOQRPRDKO-OAHLLOKOSA-N 1 0 299.459 2.173 10 0 CEAERO C[NH2+]C[C@H]1CCCN1c1cncc(Br)c1 ZINC000261538398 277033053 /nfs/dbraw/zinc/03/30/53/277033053.db2.gz XYCSETIWZRZLNU-SNVBAGLBSA-N 1 0 270.174 2.032 10 0 CEAERO CCN(CCC[NH+]1CCCC1)C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000190128110 270267331 /nfs/dbraw/zinc/26/73/31/270267331.db2.gz DSUYGIHKSYRBHM-CABCVRRESA-N 1 0 297.443 2.071 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)NCCC2CCCC2)C1 ZINC000194149329 270293846 /nfs/dbraw/zinc/29/38/46/270293846.db2.gz FJOOXOFEFCTQFG-AWEZNQCLSA-N 1 0 267.417 2.350 10 0 CEAERO CCOC[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C ZINC000221977332 270308944 /nfs/dbraw/zinc/30/89/44/270308944.db2.gz RKQJPVBUHGSNRF-VXGBXAGGSA-N 1 0 274.405 2.304 10 0 CEAERO CCCCOC[C@H](O)C[NH2+]CCc1cccs1 ZINC000227887748 270312172 /nfs/dbraw/zinc/31/21/72/270312172.db2.gz ZKTGESQGLONXFZ-GFCCVEGCSA-N 1 0 257.399 2.058 10 0 CEAERO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000392917380 270341939 /nfs/dbraw/zinc/34/19/39/270341939.db2.gz GVQFIIFTCXEMQH-FVCCEPFGSA-N 1 0 252.402 2.458 10 0 CEAERO C[C@@H](CCC1CC1)[NH2+]C[C@H](O)COCc1ccco1 ZINC000398101493 270356374 /nfs/dbraw/zinc/35/63/74/270356374.db2.gz XHKSTDOUTSNRGE-JSGCOSHPSA-N 1 0 267.369 2.325 10 0 CEAERO COc1cc(Br)ccc1CNC[C@@H]1CC[NH2+]C1 ZINC000398396632 270357743 /nfs/dbraw/zinc/35/77/43/270357743.db2.gz LRQHXPHZSRLRTC-SNVBAGLBSA-N 1 0 299.212 2.157 10 0 CEAERO COC1(CC[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)CCC1 ZINC000398860983 270363967 /nfs/dbraw/zinc/36/39/67/270363967.db2.gz QRZAIHBBLCAPFQ-MELADBBJSA-N 1 0 253.386 2.038 10 0 CEAERO CCOc1ccccc1OCC[N@@H+]1C[C@H](O)CC[C@H]1C ZINC000399455740 270370077 /nfs/dbraw/zinc/37/00/77/270370077.db2.gz IDXUHKLZYHVWQD-ZIAGYGMSSA-N 1 0 279.380 2.309 10 0 CEAERO C[C@H](Oc1ccccc1Cl)C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000423682825 270930746 /nfs/dbraw/zinc/93/07/46/270930746.db2.gz TXBCWJOAGMDPEJ-JFGNBEQYSA-N 1 0 282.771 2.055 10 0 CEAERO CC1(C)CN(c2ncnc3sccc32)CC[C@H]1[NH3+] ZINC000261579298 273585849 /nfs/dbraw/zinc/58/58/49/273585849.db2.gz PKUMUPVRTPBWTM-SNVBAGLBSA-N 1 0 262.382 2.255 10 0 CEAERO Cc1ccc(SCCC(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC000423948408 270990809 /nfs/dbraw/zinc/99/08/09/270990809.db2.gz JTNCCTUSGRWRBE-TZMCWYRMSA-N 1 0 278.421 2.283 10 0 CEAERO O=c1[nH]ccc2cc(OC3CC[NH2+]CC3)c(Cl)cc21 ZINC000095643133 275042785 /nfs/dbraw/zinc/04/27/85/275042785.db2.gz GIBFSFAIQCAWAK-UHFFFAOYSA-N 1 0 278.739 2.312 10 0 CEAERO c1ccn2c(c1)nnc2C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000035012062 275072420 /nfs/dbraw/zinc/07/24/20/275072420.db2.gz HOBQDVWKMSCUBF-OAHLLOKOSA-N 1 0 278.359 2.376 10 0 CEAERO Brc1cccnc1N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261586283 275375642 /nfs/dbraw/zinc/37/56/42/275375642.db2.gz QYUCSGNWUGYMLJ-MWLCHTKSSA-N 1 0 282.185 2.032 10 0 CEAERO Brc1cccc(NC[C@@H]2CCC[NH2+]2)n1 ZINC000095092349 275713509 /nfs/dbraw/zinc/71/35/09/275713509.db2.gz UVWOWLIGPWZFOC-QMMMGPOBSA-N 1 0 256.147 2.008 10 0 CEAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1nncn1C ZINC000037989109 275994512 /nfs/dbraw/zinc/99/45/12/275994512.db2.gz BXBHJQCSDNEDHU-FRRDWIJNSA-N 1 0 250.390 2.366 10 0 CEAERO CC(C)[C@H]1CC[C@H]1[NH2+]C1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263514939 276029131 /nfs/dbraw/zinc/02/91/31/276029131.db2.gz OJWQZTWLDDLZQH-QDIHITRGSA-N 1 0 294.439 2.338 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cccc(N(C)C)c1 ZINC000177424235 276169574 /nfs/dbraw/zinc/16/95/74/276169574.db2.gz RYRPPSVVQHDSLY-MRXNPFEDSA-N 1 0 289.423 2.309 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1sccc1OC ZINC000176982819 276182404 /nfs/dbraw/zinc/18/24/04/276182404.db2.gz MOHSSLJITISJGE-NSHDSACASA-N 1 0 282.409 2.313 10 0 CEAERO CCN1CCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)c2ccccc21 ZINC000262361437 276191638 /nfs/dbraw/zinc/19/16/38/276191638.db2.gz KJSPZTGEOGGETH-KBPBESRZSA-N 1 0 287.407 2.248 10 0 CEAERO COCc1ccc(C[NH2+][C@H]2CCCC[C@@H]2CO)cc1 ZINC000230664254 277270610 /nfs/dbraw/zinc/27/06/10/277270610.db2.gz GZDBKNJXWOIHBG-CVEARBPZSA-N 1 0 263.381 2.474 10 0 CEAERO C[NH2+]C[C@@H]1CCCN1c1ncnc2c(C)csc21 ZINC000222349890 277279334 /nfs/dbraw/zinc/27/93/34/277279334.db2.gz DKURNFRXKPPRIE-JTQLQIEISA-N 1 0 262.382 2.188 10 0 CEAERO C[NH2+]C[C@H]1CCCN1c1ncccc1Br ZINC000053704023 277285917 /nfs/dbraw/zinc/28/59/17/277285917.db2.gz JFCFSOJZSITCJY-SECBINFHSA-N 1 0 270.174 2.032 10 0 CEAERO C[C@@H]1C[C@H]([NH2+]CCNC(=O)C2CC2)CC(C)(C)C1 ZINC000072726496 278025858 /nfs/dbraw/zinc/02/58/58/278025858.db2.gz YDUFIRKHNFMLEE-YPMHNXCESA-N 1 0 252.402 2.317 10 0 CEAERO CC(C)c1ccc([C@@H](C)NC(=O)C2([NH3+])CCOCC2)cc1 ZINC000132111821 278044720 /nfs/dbraw/zinc/04/47/20/278044720.db2.gz UGEKCDPDUOABGH-CYBMUJFWSA-N 1 0 290.407 2.495 10 0 CEAERO CS(=O)(=O)c1ccc(N[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000089108740 278120282 /nfs/dbraw/zinc/12/02/82/278120282.db2.gz PYSOFUHGQWBXJA-FZMZJTMJSA-N 1 0 282.409 2.020 10 0 CEAERO C[C@@H](C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccccc1 ZINC000122055738 278193338 /nfs/dbraw/zinc/19/33/38/278193338.db2.gz IXFKVGPJAPMFRP-GDBMZVCRSA-N 1 0 272.392 2.487 10 0 CEAERO C[C@@H](C(=O)N[C@@H]1CCSc2c(F)cccc21)C1C[NH2+]C1 ZINC000262063472 278210680 /nfs/dbraw/zinc/21/06/80/278210680.db2.gz IUGKHUXEHMFQPS-NOZJJQNGSA-N 1 0 294.395 2.334 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1cccc(F)c1Cl ZINC000261559334 278541489 /nfs/dbraw/zinc/54/14/89/278541489.db2.gz TXGFLDIXIOEELK-OIBJUYFYSA-N 1 0 256.708 2.041 10 0 CEAERO CCCCCS(=O)(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000188218564 278676600 /nfs/dbraw/zinc/67/66/00/278676600.db2.gz BBNXSDPFCUIOJA-ZDUSSCGKSA-N 1 0 278.462 2.072 10 0 CEAERO C[C@@H]1CN(c2cc(C(F)(F)F)ccn2)[C@@H](C)C[NH2+]1 ZINC000090804060 278799787 /nfs/dbraw/zinc/79/97/87/278799787.db2.gz XYYLWWKVDLLTNM-BDAKNGLRSA-N 1 0 259.275 2.287 10 0 CEAERO Cc1ccc2cc(C(=O)N3CC[C@H]([NH+](C)C)C3)ccc2n1 ZINC000161572911 278895921 /nfs/dbraw/zinc/89/59/21/278895921.db2.gz ZBQRCAMBUUUQST-HNNXBMFYSA-N 1 0 283.375 2.319 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1nnc(C(F)(F)F)s1 ZINC000229607515 279033642 /nfs/dbraw/zinc/03/36/42/279033642.db2.gz BYYNYSRGYGTMMF-WDSKDSINSA-N 1 0 266.292 2.109 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+][C@@H]2CCCC[C@@H]2C)C1 ZINC000263466690 279059423 /nfs/dbraw/zinc/05/94/23/279059423.db2.gz CTWOJDVEVJDUKP-GFJIZPEISA-N 1 0 268.401 2.092 10 0 CEAERO Cc1nc2ccccc2nc1N1C[C@@H](C[NH3+])C[C@H]1C ZINC000228082747 279130989 /nfs/dbraw/zinc/13/09/89/279130989.db2.gz KDRDNYSPZYSHME-ZYHUDNBSSA-N 1 0 256.353 2.112 10 0 CEAERO CC[C@H](O)C[NH+]1CCN(C/C=C\c2ccc(F)cc2)CC1 ZINC000254976998 288110556 /nfs/dbraw/zinc/11/05/56/288110556.db2.gz ABFFCXAMHMORCU-LIMHQNJXSA-N 1 0 292.398 2.227 10 0 CEAERO Cn1c(-c2nc3c([nH]2)C[NH2+]CC3)cc2ccccc21 ZINC000095360935 279301367 /nfs/dbraw/zinc/30/13/67/279301367.db2.gz YLJBRYZJVPPXHT-UHFFFAOYSA-N 1 0 252.321 2.214 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCCC2(C)C)C1 ZINC000246602609 279321345 /nfs/dbraw/zinc/32/13/45/279321345.db2.gz KIAXSCRQAQBROU-STQMWFEESA-N 1 0 267.417 2.349 10 0 CEAERO C[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1N1CCOCC1 ZINC000246376864 288155491 /nfs/dbraw/zinc/15/54/91/288155491.db2.gz HWEAZMFFMWQUMQ-ZIAGYGMSSA-N 1 0 254.418 2.075 10 0 CEAERO C[C@H]1CCN(C(=O)Nc2ccc3c(n2)CCC3)[C@H](C[NH3+])C1 ZINC000333391021 279702634 /nfs/dbraw/zinc/70/26/34/279702634.db2.gz XMPKFMRUNILVTP-AAEUAGOBSA-N 1 0 288.395 2.161 10 0 CEAERO C[C@H]1CCN(c2ccc(Br)cn2)[C@@H](C[NH3+])C1 ZINC000235673982 279728185 /nfs/dbraw/zinc/72/81/85/279728185.db2.gz QQUPEUFOYSCPEB-GXSJLCMTSA-N 1 0 284.201 2.408 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+]CCCCCOC)C12CCOCC2 ZINC000186297833 279919373 /nfs/dbraw/zinc/91/93/73/279919373.db2.gz QZCVPJOLWRKHLV-CABCVRRESA-N 1 0 285.428 2.367 10 0 CEAERO CCC[C@@H](C(=O)Nc1ccc2n[nH]cc2c1)[NH+](C)C ZINC000133878484 280008048 /nfs/dbraw/zinc/00/80/48/280008048.db2.gz YHJBADZFVIZOIA-ZDUSSCGKSA-N 1 0 260.341 2.232 10 0 CEAERO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000249299836 280028953 /nfs/dbraw/zinc/02/89/53/280028953.db2.gz NUVIYVJGJUSBAX-RFGFWPKPSA-N 1 0 252.402 2.123 10 0 CEAERO CCC[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1 ZINC000233293780 280219379 /nfs/dbraw/zinc/21/93/79/280219379.db2.gz SJZUTYWUFDRAPO-BPLDGKMQSA-N 1 0 260.381 2.500 10 0 CEAERO CCC[C@@H]1C[C@H]1[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000233306701 280219405 /nfs/dbraw/zinc/21/94/05/280219405.db2.gz CVGGYCMKKDQYPF-UXIGCNINSA-N 1 0 267.344 2.344 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)c1nc(C2CC2)no1 ZINC000245473166 280243270 /nfs/dbraw/zinc/24/32/70/280243270.db2.gz PRQZYYBCNOEWDL-DGCLKSJQSA-N 1 0 278.400 2.424 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)C[C@H](C)c2c(C)n[nH]c2C)C1 ZINC000245714281 280257535 /nfs/dbraw/zinc/25/75/35/280257535.db2.gz UMVWJRBWNXEKRC-FZMZJTMJSA-N 1 0 292.427 2.121 10 0 CEAERO CCc1ccc(O)c(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000245717024 280257969 /nfs/dbraw/zinc/25/79/69/280257969.db2.gz CZJLZEXCUXBXAI-TZMCWYRMSA-N 1 0 288.391 2.263 10 0 CEAERO Cc1cc(Br)cnc1N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000168576737 280311317 /nfs/dbraw/zinc/31/13/17/280311317.db2.gz FGYSMFMPJBZJLW-ZJUUUORDSA-N 1 0 284.201 2.326 10 0 CEAERO Cc1cc(Br)cnc1N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086887084 280311488 /nfs/dbraw/zinc/31/14/88/280311488.db2.gz ZJLNYMFHIHGFOU-KOLCDFICSA-N 1 0 284.201 2.326 10 0 CEAERO CC(C)n1nnnc1C[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000247524456 280332665 /nfs/dbraw/zinc/33/26/65/280332665.db2.gz NRVLGCFKJWASSB-FRRDWIJNSA-N 1 0 263.389 2.407 10 0 CEAERO Cc1cnn([C@@H]2CCC[N@H+](CC[C@H]3CCCO3)C2)c1 ZINC000248960329 280375785 /nfs/dbraw/zinc/37/57/85/280375785.db2.gz GIUJIKJHIBIOGY-HUUCEWRRSA-N 1 0 263.385 2.398 10 0 CEAERO CCc1cccc(C[N@@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 ZINC000249291119 280391457 /nfs/dbraw/zinc/39/14/57/280391457.db2.gz MJRXLVPKCSBABQ-QAPCUYQASA-N 1 0 288.435 2.402 10 0 CEAERO CCN(C[C@@H]1CC[N@H+](C[C@@](C)(O)CC)C1)CC(F)(F)F ZINC000249338944 280393422 /nfs/dbraw/zinc/39/34/22/280393422.db2.gz IQHHFANJQQYFGR-STQMWFEESA-N 1 0 296.377 2.354 10 0 CEAERO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)C3CCC3)C2=O)n(C)n1 ZINC000182337633 280551696 /nfs/dbraw/zinc/55/16/96/280551696.db2.gz LALOTSSAYHSYFA-TZMCWYRMSA-N 1 0 290.411 2.002 10 0 CEAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1F ZINC000300593725 280579080 /nfs/dbraw/zinc/57/90/80/280579080.db2.gz ZESJVDVTXDUSNE-BZPMIXESSA-N 1 0 267.344 2.344 10 0 CEAERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3ncnn3C2)cc1 ZINC000180590574 280942243 /nfs/dbraw/zinc/94/22/43/280942243.db2.gz UHSOJRNKMSNVBU-OCCSQVGLSA-N 1 0 256.353 2.252 10 0 CEAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3ncnn3C1)CC2 ZINC000180586109 281124070 /nfs/dbraw/zinc/12/40/70/281124070.db2.gz MWSLWXYTBBRHBT-UKRRQHHQSA-N 1 0 268.364 2.178 10 0 CEAERO Cc1ccc2cccc(NC(=O)[C@@H]3C[NH2+]C[C@H]3C)c2n1 ZINC000111272642 281145458 /nfs/dbraw/zinc/14/54/58/281145458.db2.gz BPNPWDJSPSVZHG-ZWNOBZJWSA-N 1 0 269.348 2.337 10 0 CEAERO Cc1cccc(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)c1Cl ZINC000261563017 281191104 /nfs/dbraw/zinc/19/11/04/281191104.db2.gz WVMZCMUNJYZRLI-MWLCHTKSSA-N 1 0 252.745 2.210 10 0 CEAERO C[C@@H]1COC[C@H](C)[N@H+]1C[C@@H](O)CCc1ccccc1 ZINC000248600059 288378685 /nfs/dbraw/zinc/37/86/85/288378685.db2.gz UVVSIRCVABLJTC-LZWOXQAQSA-N 1 0 263.381 2.089 10 0 CEAERO CCC[C@@H](C(=O)N(C)CCN(C)c1ccccc1)[NH+](C)C ZINC000153628634 289118167 /nfs/dbraw/zinc/11/81/67/289118167.db2.gz OWKLBQLOSHOOIF-INIZCTEOSA-N 1 0 291.439 2.312 10 0 CEAERO C[C@H](C(=O)OC(C)(C)C)N(C)CC[NH+]1CCC(C)CC1 ZINC000154136094 289136171 /nfs/dbraw/zinc/13/61/71/289136171.db2.gz HLHPVNGCAUXMJR-CQSZACIVSA-N 1 0 284.444 2.380 10 0 CEAERO C[C@H](C(=O)N1CCC[C@H]2CCCC[C@@H]21)C1C[NH2+]C1 ZINC000163900222 289279985 /nfs/dbraw/zinc/27/99/85/289279985.db2.gz RYMQUSRCIQEKAY-SCRDCRAPSA-N 1 0 250.386 2.023 10 0 CEAERO C[C@H]([NH3+])C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000237411083 289764865 /nfs/dbraw/zinc/76/48/65/289764865.db2.gz NSNRGBJJTLIAFW-VIFPVBQESA-N 1 0 262.309 2.014 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCCNC1=O)C12CC3CC(CC(C3)C1)C2 ZINC000050394503 290008120 /nfs/dbraw/zinc/00/81/20/290008120.db2.gz OKIVFPQXKPPWGX-DVMIWYLISA-N 1 0 276.424 2.460 10 0 CEAERO COC[C@@H]([NH3+])C(=O)N(C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000262211688 292816659 /nfs/dbraw/zinc/81/66/59/292816659.db2.gz DZRNZQUWOYIEAR-WDEREUQCSA-N 1 0 299.440 2.068 10 0 CEAERO Cc1cnn(-c2ccc(C(=O)N3CCCC[C@H]3C[NH3+])cc2)c1 ZINC000237913775 292985489 /nfs/dbraw/zinc/98/54/89/292985489.db2.gz VJKCGRMOIREVLI-INIZCTEOSA-N 1 0 298.390 2.134 10 0 CEAERO COc1ccc(OC)c([C@H](C)N[C@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000400707348 295182383 /nfs/dbraw/zinc/18/23/83/295182383.db2.gz 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CC[NH2+]C[C@H](C)C(=O)Nc1ccc(F)cc1OC ZINC000061267815 519967094 /nfs/dbraw/zinc/96/70/94/519967094.db2.gz LHRUNHZIDQEHJC-VIFPVBQESA-N 1 0 254.305 2.018 10 0 CEAERO CCC[NH2+]Cc1nnnn1[C@H](C)c1cc(C)sc1C ZINC000054747094 519972450 /nfs/dbraw/zinc/97/24/50/519972450.db2.gz CCHVDJAQUBUHEF-SNVBAGLBSA-N 1 0 279.413 2.460 10 0 CEAERO CC[NH2+]Cc1cc(Cl)ccc1O[C@H](C)C(=O)OC ZINC000049850634 519991856 /nfs/dbraw/zinc/99/18/56/519991856.db2.gz HATUBAOOALTHCY-SECBINFHSA-N 1 0 271.744 2.390 10 0 CEAERO CCC[NH2+][C@H](Cc1cnn(CC)c1)C[C@H]1CCCO1 ZINC000050542736 520086875 /nfs/dbraw/zinc/08/68/75/520086875.db2.gz WJNYTSWABZQWCO-HUUCEWRRSA-N 1 0 265.401 2.383 10 0 CEAERO CCN[C@@H](CC[N@H+](CC1CC1)C(C)C)C(=O)OCC ZINC000062525651 520086236 /nfs/dbraw/zinc/08/62/36/520086236.db2.gz YPGZKJQJFRQQDI-AWEZNQCLSA-N 1 0 270.417 2.038 10 0 CEAERO CCC[NH2+][C@H]1c2ccccc2CCC[C@@H]1S(C)(=O)=O ZINC000054930495 520098437 /nfs/dbraw/zinc/09/84/37/520098437.db2.gz ANDOLBPEKNIJNJ-GJZGRUSLSA-N 1 0 281.421 2.477 10 0 CEAERO CCN[C@@](C)(CCC[N@H+](C)C(C)(C)CC)C(=O)OC ZINC000069443287 520130595 /nfs/dbraw/zinc/13/05/95/520130595.db2.gz FOPLDPHURYUFKN-HNNXBMFYSA-N 1 0 272.433 2.428 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCCN(C)c1cccc(OC)c1 ZINC000070338163 520137647 /nfs/dbraw/zinc/13/76/47/520137647.db2.gz KUIDTVMANMTCGY-MRXNPFEDSA-N 1 0 280.412 2.272 10 0 CEAERO CCN[C@@](C)(C[C@H](C)[N@H+](CC)CC(CC)CC)C(N)=O ZINC000068633480 520143657 /nfs/dbraw/zinc/14/36/57/520143657.db2.gz NSGBPZWBYNIURZ-BBRMVZONSA-N 1 0 285.476 2.377 10 0 CEAERO CCOC[C@H](O)COc1cc(C)ccc1[C@H](C)[NH2+]C ZINC000069276308 520164520 /nfs/dbraw/zinc/16/45/20/520164520.db2.gz IIZGDSQMBQMPIW-STQMWFEESA-N 1 0 267.369 2.052 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1ccc(F)c(F)c1F ZINC000061268884 520169851 /nfs/dbraw/zinc/16/98/51/520169851.db2.gz AUCGSJDDEDQBDR-SSDOTTSWSA-N 1 0 260.259 2.431 10 0 CEAERO CC[NH2+][C@H](C)c1c(C)nn(C[C@@H]2CCOC2)c1C ZINC000054718244 520176138 /nfs/dbraw/zinc/17/61/38/520176138.db2.gz WKWVZWLZYIHVQB-MFKMUULPSA-N 1 0 251.374 2.207 10 0 CEAERO CC[NH2+][C@H](CCOc1cc(C)ccc1C(C)C)C(N)=O ZINC000062548757 520191798 /nfs/dbraw/zinc/19/17/98/520191798.db2.gz RLQPDPQRFPPPEQ-CQSZACIVSA-N 1 0 278.396 2.351 10 0 CEAERO CCO[C@H](C[NH3+])CN(C)Cc1cccc(Cl)c1 ZINC000062739651 520517543 /nfs/dbraw/zinc/51/75/43/520517543.db2.gz HIRQANSUCYEBHM-CYBMUJFWSA-N 1 0 256.777 2.136 10 0 CEAERO CC[NH+](CC)C[C@@H](C)NC(=O)c1nc(NC)ccc1Cl ZINC000050780608 520720838 /nfs/dbraw/zinc/72/08/38/520720838.db2.gz WLCJXEAUNROXIE-SNVBAGLBSA-N 1 0 298.818 2.237 10 0 CEAERO CCOC(=O)[C@H](CC[N@H+](C)C(CC)CC)NC(C)C ZINC000062448823 521240332 /nfs/dbraw/zinc/24/03/32/521240332.db2.gz UDLFRIVZJHYKSH-AWEZNQCLSA-N 1 0 272.433 2.427 10 0 CEAERO CCC(C)(C)[NH2+]C[C@@H](C)N1CCN(CC(F)(F)F)CC1 ZINC000053489115 521352248 /nfs/dbraw/zinc/35/22/48/521352248.db2.gz AWMWDKVJIRJPBZ-GFCCVEGCSA-N 1 0 295.393 2.333 10 0 CEAERO CCS(=O)(=O)CC[C@H](C[NH2+]C)Cc1ccccc1F ZINC000052979114 521645419 /nfs/dbraw/zinc/64/54/19/521645419.db2.gz CVROYRTVDBGAGX-LBPRGKRZSA-N 1 0 287.400 2.029 10 0 CEAERO CC[C@@H](C)CNS(=O)(=O)c1cccc([C@@H](C)[NH3+])c1 ZINC000054489104 521997721 /nfs/dbraw/zinc/99/77/21/521997721.db2.gz WPYRILBYONXRRK-GHMZBOCLSA-N 1 0 270.398 2.031 10 0 CEAERO COC(=O)c1cc(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)cs1 ZINC000412050896 533803437 /nfs/dbraw/zinc/80/34/37/533803437.db2.gz VEEZLRJZTBTHDL-AVGNSLFASA-N 1 0 295.404 2.128 10 0 CEAERO C[C@H]([NH2+]C1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400414610 533803750 /nfs/dbraw/zinc/80/37/50/533803750.db2.gz VARWBPFMFRXNNF-QWRGUYRKSA-N 1 0 254.374 2.384 10 0 CEAERO CCC[NH2+][C@H](C)c1csc(N2C(=O)C[C@@H](C)C2=O)n1 ZINC000113098557 517589062 /nfs/dbraw/zinc/58/90/62/517589062.db2.gz DMBGAHBNAXMHNW-RKDXNWHRSA-N 1 0 281.381 2.103 10 0 CEAERO CC(C)(C)[NH2+]C[C@@H]1CC[C@H](COC[C@@H]2CCCO2)O1 ZINC000052626382 518760854 /nfs/dbraw/zinc/76/08/54/518760854.db2.gz UQVUNERUFNMAPM-MELADBBJSA-N 1 0 271.401 2.118 10 0 CEAERO CC(C)(C)[NH2+]Cc1cc(Cn2nnc3ccccc32)on1 ZINC000052576629 518764649 /nfs/dbraw/zinc/76/46/49/518764649.db2.gz AMIBASYZQBDQDH-UHFFFAOYSA-N 1 0 285.351 2.356 10 0 CEAERO CC(C)(C)[NH2+]Cc1cccc(OC[C@H]2CNC(=O)O2)c1 ZINC000062731347 518765906 /nfs/dbraw/zinc/76/59/06/518765906.db2.gz FUYFHXPRDMOYRM-CYBMUJFWSA-N 1 0 278.352 2.062 10 0 CEAERO CC(C)C[C@@H](C[NH2+]C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000052951193 519213099 /nfs/dbraw/zinc/21/30/99/519213099.db2.gz ZDSVARWRBIEOTG-STQMWFEESA-N 1 0 261.431 2.081 10 0 CEAERO CC(C)C[C@H](C)OCCn1cc(C[NH2+]C(C)C)nn1 ZINC000052603555 519323991 /nfs/dbraw/zinc/32/39/91/519323991.db2.gz ZDGWSOKCPMAEMH-ZDUSSCGKSA-N 1 0 268.405 2.227 10 0 CEAERO CC(C)C1CCC(CO)([NH2+]C[C@H]2CCCO2)CC1 ZINC000054557659 519562845 /nfs/dbraw/zinc/56/28/45/519562845.db2.gz ACOAXVLXEIZRCN-SHARSMKWSA-N 1 0 255.402 2.332 10 0 CEAERO CC(C)CCC[C@H](C)[NH2+][C@@H]1CC(=O)N(C(C)C)C1=O ZINC000049128624 519648192 /nfs/dbraw/zinc/64/81/92/519648192.db2.gz LQJDHMNQYHWVQO-QWHCGFSZSA-N 1 0 268.401 2.327 10 0 CEAERO CC(C)N1CC[NH+](C[C@H]2C[C@@H](C)CCC2=O)CC1 ZINC000053927335 519682096 /nfs/dbraw/zinc/68/20/96/519682096.db2.gz RICDMUMWPGQLCP-UONOGXRCSA-N 1 0 252.402 2.018 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000155815702 519696858 /nfs/dbraw/zinc/69/68/58/519696858.db2.gz TWHLVZWUVNMCSJ-HZMBPMFUSA-N 1 0 282.334 2.423 10 0 CEAERO CC(C)[NH2+]CCS(=O)(=O)N1c2ccccc2CC[C@@H]1C ZINC000049632262 519722051 /nfs/dbraw/zinc/72/20/51/519722051.db2.gz XPFSLFXWSIJAJX-ZDUSSCGKSA-N 1 0 296.436 2.156 10 0 CEAERO CC(C)C[NH+]1CCN(C[C@](C)(O)c2ccccc2)CC1 ZINC000055080476 519726403 /nfs/dbraw/zinc/72/64/03/519726403.db2.gz ZWMAPCCWUPLORU-KRWDZBQOSA-N 1 0 276.424 2.168 10 0 CEAERO CC(C)C[NH+]1CCN(c2nc3c(s2)[C@H](O)CCC3)CC1 ZINC000055076453 519729227 /nfs/dbraw/zinc/72/92/27/519729227.db2.gz ZCJGFMYINGLKPB-CYBMUJFWSA-N 1 0 295.452 2.291 10 0 CEAERO CC(C)[NH2+]Cc1occc1COC[C@@H]1CCOC1 ZINC000052704394 519730334 /nfs/dbraw/zinc/73/03/34/519730334.db2.gz JKYRFNSUSNGUDQ-GFCCVEGCSA-N 1 0 253.342 2.331 10 0 CEAERO CC(C)[NH2+]Cc1nnnn1[C@H]1CCCc2sccc21 ZINC000061367321 519730414 /nfs/dbraw/zinc/73/04/14/519730414.db2.gz IRIJAACXIIHXBV-NSHDSACASA-N 1 0 277.397 2.158 10 0 CEAERO CC(C)[NH2+][C@@H](CCOc1ccc2c(c1)CCCC2)C(N)=O ZINC000062542255 519734887 /nfs/dbraw/zinc/73/48/87/519734887.db2.gz LRTZLARWULOJGT-INIZCTEOSA-N 1 0 290.407 2.186 10 0 CEAERO CC(C)[NH2+][C@H](CC[N@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000062451263 519738126 /nfs/dbraw/zinc/73/81/26/519738126.db2.gz RKKGATPRUYAUMC-CQSZACIVSA-N 1 0 270.417 2.482 10 0 CEAERO CC(C)[NH2+][C@](C)(C[C@@H](C)n1ccnc1C(C)C)C(N)=O ZINC000068648679 519740190 /nfs/dbraw/zinc/74/01/90/519740190.db2.gz JNWOPJWWLMBUKX-IUODEOHRSA-N 1 0 280.416 2.200 10 0 CEAERO CC(C)C[NH2+]C[C@]1(CN(C)Cc2cscn2)CCOC1 ZINC000051250500 519746801 /nfs/dbraw/zinc/74/68/01/519746801.db2.gz YJEUWFNNUMEXBI-HNNXBMFYSA-N 1 0 297.468 2.227 10 0 CEAERO CC(C)C[NH2+]Cc1cccnc1N1CCOC(C)(C)C1 ZINC000051447058 519748121 /nfs/dbraw/zinc/74/81/21/519748121.db2.gz MCIXNAVJQUGLKG-UHFFFAOYSA-N 1 0 277.412 2.442 10 0 CEAERO CC(C)OCCN1C[C@H](C)[NH2+]C[C@H]1c1ccccc1 ZINC000062660353 519766517 /nfs/dbraw/zinc/76/65/17/519766517.db2.gz SYYJABWWCMMCEK-HOCLYGCPSA-N 1 0 262.397 2.446 10 0 CEAERO CC(C)C[C@@H](C[NH+](C)C)n1ccc(=O)[nH]c1=S ZINC000052313086 519776274 /nfs/dbraw/zinc/77/62/74/519776274.db2.gz YMMREPRCZPZLDS-JTQLQIEISA-N 1 0 255.387 2.055 10 0 CEAERO CC(C)Oc1ccc([C@@H]([NH3+])Cn2ccc(=O)cc2)cc1 ZINC000061627925 519781643 /nfs/dbraw/zinc/78/16/43/519781643.db2.gz JWHOOOAFCDVEKG-INIZCTEOSA-N 1 0 272.348 2.336 10 0 CEAERO CC(C)[C@@H](C[NH2+]C1CC1)N(C)Cc1cscn1 ZINC000052503694 519794873 /nfs/dbraw/zinc/79/48/73/519794873.db2.gz TYCSSIOHSKHNAZ-CYBMUJFWSA-N 1 0 253.415 2.352 10 0 CEAERO CC(C)[C@H]([NH2+]C[C@H](O)Cn1cccn1)c1cccs1 ZINC000049556094 519820979 /nfs/dbraw/zinc/82/09/79/519820979.db2.gz UEPVJTAJKUHPTR-JSGCOSHPSA-N 1 0 279.409 2.292 10 0 CEAERO CC(C)[C@H]1CCC(=O)[C@@H](C[N@H+](CCO)C(C)C)C1 ZINC000054559344 519824349 /nfs/dbraw/zinc/82/43/49/519824349.db2.gz SHYGHGZYTHJPLV-UONOGXRCSA-N 1 0 255.402 2.331 10 0 CEAERO CC(C)[C@H]1CCC(=O)[C@H](C[N@@H+]2CCCC[C@@H]2CO)C1 ZINC000054559266 519824543 /nfs/dbraw/zinc/82/45/43/519824543.db2.gz XSTAXIMTAABNQG-SOUVJXGZSA-N 1 0 267.413 2.475 10 0 CEAERO CCC1CC[NH+]([C@H](C)C[C@@](C)(NC(C)C)C(N)=O)CC1 ZINC000068638339 519859738 /nfs/dbraw/zinc/85/97/38/519859738.db2.gz STOVSMDHMIDAEV-CZUORRHYSA-N 1 0 283.460 2.129 10 0 CEAERO CC(C)c1nc(COc2ccc3c(c2)OC[C@H]3[NH3+])no1 ZINC000062803380 519864796 /nfs/dbraw/zinc/86/47/96/519864796.db2.gz DEXAMIAGPLMFJB-LLVKDONJSA-N 1 0 275.308 2.164 10 0 CEAERO CCCC1(C(=O)Nc2nc(C)cc(C)n2)CC[NH2+]CC1 ZINC000062847917 519888421 /nfs/dbraw/zinc/88/84/21/519888421.db2.gz XDPVBFGREBABBC-UHFFFAOYSA-N 1 0 276.384 2.202 10 0 CEAERO CC(C)C1N=NC(=S)N1[C@H]1CC[N@@H+]2CCC[C@H]12 ZINC000049569325 519890797 /nfs/dbraw/zinc/89/07/97/519890797.db2.gz WUPZOGLLIAFNQC-ZJUUUORDSA-N 1 0 252.387 2.099 10 0 CEAERO CCCC1CC[NH+](CC[C@](C)([NH2+]CC)C(=O)[O-])CC1 ZINC000050905701 519901516 /nfs/dbraw/zinc/90/15/16/519901516.db2.gz PNKMJHOLEACRLR-HNNXBMFYSA-N 1 0 270.417 2.341 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N(C)Cc1cccc(OC)c1OC ZINC000061293996 519903369 /nfs/dbraw/zinc/90/33/69/519903369.db2.gz MBCTWQWBVCOLMQ-UHFFFAOYSA-N 1 0 294.395 2.050 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N[C@H](C)c1ccc(OC)c(OC)c1 ZINC000061298128 519906255 /nfs/dbraw/zinc/90/62/55/519906255.db2.gz UVAHZJJHPLSLDE-LLVKDONJSA-N 1 0 294.395 2.269 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000061292172 519906420 /nfs/dbraw/zinc/90/64/20/519906420.db2.gz GSLVVYFVNRNVTD-UHFFFAOYSA-N 1 0 272.352 2.403 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1ccc(OCCOC)cc1 ZINC000061293035 519907413 /nfs/dbraw/zinc/90/74/13/519907413.db2.gz RLJZMVYDQWZACC-UHFFFAOYSA-N 1 0 280.368 2.038 10 0 CEAERO CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2c1ccc(C(N)=O)cc1 ZINC000054627346 519908370 /nfs/dbraw/zinc/90/83/70/519908370.db2.gz OUSYOUSAZNPIKM-VHRNVKJDSA-N 1 0 287.407 2.285 10 0 CEAERO CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C[C@@H]1CCCOC1 ZINC000054602584 519909701 /nfs/dbraw/zinc/90/97/01/519909701.db2.gz NQTNYJKPBQAXFY-HNSVSWJLSA-N 1 0 266.429 2.408 10 0 CEAERO CC[NH2+]CCC(=O)N(C)Cc1cccc(Br)c1 ZINC000061297120 519915191 /nfs/dbraw/zinc/91/51/91/519915191.db2.gz ULEVMDYSVMVYEZ-UHFFFAOYSA-N 1 0 299.212 2.407 10 0 CEAERO CC[NH2+]CCC(=O)N(CC(F)(F)F)[C@H](C)C1CC1 ZINC000061294661 519915335 /nfs/dbraw/zinc/91/53/35/519915335.db2.gz BGZVUFLCWGKLQF-SECBINFHSA-N 1 0 266.307 2.175 10 0 CEAERO CCC[NH2+]CCNC(=O)c1cccc(OC(C)C)c1 ZINC000061666847 519917190 /nfs/dbraw/zinc/91/71/90/519917190.db2.gz JYNYTPFNZONLSQ-UHFFFAOYSA-N 1 0 264.369 2.203 10 0 CEAERO CC[NH2+]CCC(=O)N[C@H](C)c1cccc(OC(F)F)c1 ZINC000061290604 519917097 /nfs/dbraw/zinc/91/70/97/519917097.db2.gz YZZCKSWDKBVALQ-SNVBAGLBSA-N 1 0 286.322 2.465 10 0 CEAERO CC[NH2+]CCC(=O)Nc1ccc(C)cc1OCC ZINC000061293672 519917775 /nfs/dbraw/zinc/91/77/75/519917775.db2.gz BWVIFBDROKZKIS-UHFFFAOYSA-N 1 0 250.342 2.332 10 0 CEAERO CC[NH2+]CCC(=O)Nc1cc(Cl)ccc1OC ZINC000061287194 519917808 /nfs/dbraw/zinc/91/78/08/519917808.db2.gz FUMDOIACYRIKGK-UHFFFAOYSA-N 1 0 256.733 2.287 10 0 CEAERO CC[NH2+]CCC(=O)Nc1sc(C)c(C)c1C(=O)OC ZINC000061298795 519918499 /nfs/dbraw/zinc/91/84/99/519918499.db2.gz OINRMMYXVMSYSX-UHFFFAOYSA-N 1 0 284.381 2.090 10 0 CEAERO CC(C)n1c(S[C@@H]([C@@H](C)[NH3+])C(C)(C)C)n[nH]c1=O ZINC000061595213 519923882 /nfs/dbraw/zinc/92/38/82/519923882.db2.gz UVKWJGXPQDPVLR-BDAKNGLRSA-N 1 0 272.418 2.006 10 0 CEAERO CC(C)n1c(Sc2ccc([C@H](C)[NH3+])cc2F)n[nH]c1=O ZINC000061595928 519925814 /nfs/dbraw/zinc/92/58/14/519925814.db2.gz LQPYWPGTPXDAHY-QMMMGPOBSA-N 1 0 296.371 2.462 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N(C)CCOc1cccc(C)c1 ZINC000061236898 519930841 /nfs/dbraw/zinc/93/08/41/519930841.db2.gz XTMFJVJNBGBMHX-CQSZACIVSA-N 1 0 278.396 2.078 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N(C)Cc1ccccc1OCC ZINC000061265833 519931018 /nfs/dbraw/zinc/93/10/18/519931018.db2.gz JGLVNACFZRAYOY-CYBMUJFWSA-N 1 0 278.396 2.289 10 0 CEAERO CCC[NH2+]C[C@H](Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000052950836 519933141 /nfs/dbraw/zinc/93/31/41/519933141.db2.gz USAAXGLMVYAGLW-CVEARBPZSA-N 1 0 295.448 2.280 10 0 CEAERO CCC[NH2+]C[C@H](Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000052950840 519933432 /nfs/dbraw/zinc/93/34/32/519933432.db2.gz USAAXGLMVYAGLW-HOTGVXAUSA-N 1 0 295.448 2.280 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000061227509 519935783 /nfs/dbraw/zinc/93/57/83/519935783.db2.gz ORBHARFMINDDFB-SNVBAGLBSA-N 1 0 254.761 2.202 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N[C@@H](C)c1ccccc1OC ZINC000061267361 519937418 /nfs/dbraw/zinc/93/74/18/519937418.db2.gz XSVCEQVGKSVVTR-NEPJUHHUSA-N 1 0 264.369 2.118 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N[C@H](C)c1c(F)cccc1F ZINC000061234571 519937735 /nfs/dbraw/zinc/93/77/35/519937735.db2.gz ZHLPRSAJXXDAAN-NXEZZACHSA-N 1 0 270.323 2.388 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1cccc(OCC)c1 ZINC000061234858 519941500 /nfs/dbraw/zinc/94/15/00/519941500.db2.gz JSIXJTMBVMHCER-LLVKDONJSA-N 1 0 250.342 2.269 10 0 CEAERO CCC[NH2+]Cc1c(C)nn(Cc2nc(CCC)no2)c1C ZINC000049339132 519941601 /nfs/dbraw/zinc/94/16/01/519941601.db2.gz CNTDTQMERCZVKB-UHFFFAOYSA-N 1 0 291.399 2.383 10 0 CEAERO CC[NH2+]C[C@@H](C)N1CCN(c2cccc(C)c2)CC1 ZINC000052418902 519942842 /nfs/dbraw/zinc/94/28/42/519942842.db2.gz OZNUYCBQOHVIPO-OAHLLOKOSA-N 1 0 261.413 2.115 10 0 CEAERO CC[NH2+]C[C@@H](C)c1c(C)nc(-c2cnccn2)nc1C ZINC000054854836 519944267 /nfs/dbraw/zinc/94/42/67/519944267.db2.gz RVWBAQGEKXAFEV-SNVBAGLBSA-N 1 0 271.368 2.263 10 0 CEAERO CC[NH2+]C[C@@H](C)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000061219058 519944692 /nfs/dbraw/zinc/94/46/92/519944692.db2.gz BUVDVWBZIPCONT-SNVBAGLBSA-N 1 0 275.352 2.437 10 0 CEAERO CC[NH2+]C[C@@H](CC)N1CCN(c2ccccc2F)CC1 ZINC000052374670 519945253 /nfs/dbraw/zinc/94/52/53/519945253.db2.gz CFQRNJHMUNFOJP-CQSZACIVSA-N 1 0 279.403 2.336 10 0 CEAERO CC[NH2+]C[C@@H](CCS(C)(=O)=O)Cc1ccccc1C ZINC000052978778 519946643 /nfs/dbraw/zinc/94/66/43/519946643.db2.gz BDZQWXSDWSHDDC-AWEZNQCLSA-N 1 0 283.437 2.198 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N(CC(F)(F)F)[C@H](C)C1CC1 ZINC000061235917 519959003 /nfs/dbraw/zinc/95/90/03/519959003.db2.gz LZWRQXMLZVRVNY-VHSXEESVSA-N 1 0 280.334 2.421 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1cc(F)c(F)cc1F ZINC000061268451 519965803 /nfs/dbraw/zinc/96/58/03/519965803.db2.gz OGUOUZVLTNAPBD-ZETCQYMHSA-N 1 0 260.259 2.288 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N[C@H](c1ccccc1)C1CC1 ZINC000061233031 519966291 /nfs/dbraw/zinc/96/62/91/519966291.db2.gz XCYILTSEAVTEFZ-SWLSCSKDSA-N 1 0 260.381 2.500 10 0 CEAERO CCC[NH2+]Cc1nc(COCCOCC)cs1 ZINC000052603916 519967861 /nfs/dbraw/zinc/96/78/61/519967861.db2.gz WPIDIWSENBCHEC-UHFFFAOYSA-N 1 0 258.387 2.196 10 0 CEAERO CCC[NH2+]Cc1nnnn1-c1ccc(Cl)cc1Cl ZINC000054744686 519970987 /nfs/dbraw/zinc/97/09/87/519970987.db2.gz CXLZOOVKTKXDSA-UHFFFAOYSA-N 1 0 286.166 2.469 10 0 CEAERO CCC[NH2+]Cc1nnnn1Cc1cccc2ccccc21 ZINC000054746881 519971138 /nfs/dbraw/zinc/97/11/38/519971138.db2.gz JGYHEJDWAPFSBZ-UHFFFAOYSA-N 1 0 281.363 2.374 10 0 CEAERO CC[NH2+]C[C@H](CCOC)Cc1cccc(OC)c1 ZINC000052978396 519971095 /nfs/dbraw/zinc/97/10/95/519971095.db2.gz UHPZVHVDOUNFDW-CQSZACIVSA-N 1 0 251.370 2.500 10 0 CEAERO CC[NH2+]C[C@H](CC1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000052950651 519971277 /nfs/dbraw/zinc/97/12/77/519971277.db2.gz UTPZZVZWIZJWST-KBPBESRZSA-N 1 0 273.442 2.227 10 0 CEAERO CCC[NH2+]Cc1nnnn1[C@H]1CCCC[C@H]1CC ZINC000054748041 519972117 /nfs/dbraw/zinc/97/21/17/519972117.db2.gz QLVMZRISDSJSDO-NEPJUHHUSA-N 1 0 251.378 2.314 10 0 CEAERO CC[NH2+]C[C@H](Cc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000052950517 519973404 /nfs/dbraw/zinc/97/34/04/519973404.db2.gz KUXWHXJFWAEXEW-CVEARBPZSA-N 1 0 295.448 2.198 10 0 CEAERO CC[NH2+]C[C@H](c1ccccc1)N(C)C1CCOCC1 ZINC000052481294 519975560 /nfs/dbraw/zinc/97/55/60/519975560.db2.gz UMFMGIUEOCIHCI-MRXNPFEDSA-N 1 0 262.397 2.448 10 0 CEAERO CC[NH2+]C[C@H]1CC[C@@H](CN(C)c2ccccc2OC)O1 ZINC000052513177 519977496 /nfs/dbraw/zinc/97/74/96/519977496.db2.gz AJWAWUVMRUKYKS-KGLIPLIRSA-N 1 0 278.396 2.289 10 0 CEAERO CC[NH2+]C[C@H]1CC[C@@H](CN(CC)CC(F)(F)F)O1 ZINC000052503163 519978140 /nfs/dbraw/zinc/97/81/40/519978140.db2.gz IQBOMBNNVCTUJO-MNOVXSKESA-N 1 0 268.323 2.028 10 0 CEAERO CC[NH2+]C[C@H]1C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000054590616 519980899 /nfs/dbraw/zinc/98/08/99/519980899.db2.gz NRTBFCRAIQRTQE-NEPJUHHUSA-N 1 0 265.353 2.425 10 0 CEAERO CC[NH2+]C[C@]1(CCS(C)(=O)=O)CCCc2ccccc21 ZINC000054662496 519983417 /nfs/dbraw/zinc/98/34/17/519983417.db2.gz TYSUBWHGHVGRFV-MRXNPFEDSA-N 1 0 295.448 2.305 10 0 CEAERO CC[NH2+]Cc1c(C)nn(CCOCC(F)(F)F)c1C ZINC000049311744 519985259 /nfs/dbraw/zinc/98/52/59/519985259.db2.gz NFAAFYKAIODFSH-UHFFFAOYSA-N 1 0 279.306 2.188 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccc(NC(=O)N2CC[C@@H](O)C2)cc1 ZINC000061713724 519989438 /nfs/dbraw/zinc/98/94/38/519989438.db2.gz LTGDAVXNZWCSAZ-SWLSCSKDSA-N 1 0 291.395 2.346 10 0 CEAERO CCCN[C@@H](CC[N@@H+]1CCCC[C@@H]1CC)C(=O)OC ZINC000062446204 519997827 /nfs/dbraw/zinc/99/78/27/519997827.db2.gz SNDMAFSWDDKPSC-KBPBESRZSA-N 1 0 270.417 2.182 10 0 CEAERO CC[NH2+]Cc1ccc(OCCC(=O)NC(C)C)c(OC)c1 ZINC000054047775 520000398 /nfs/dbraw/zinc/00/03/98/520000398.db2.gz JLLFEQJOGHCKRT-UHFFFAOYSA-N 1 0 294.395 2.098 10 0 CEAERO CCC[NH2+][C@@H](CC[NH+]1[C@@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000062443520 520002092 /nfs/dbraw/zinc/00/20/92/520002092.db2.gz WPQQQQKNYFKJOB-AVGNSLFASA-N 1 0 256.390 2.092 10 0 CEAERO CCC[NH2+][C@@H](CN1CCN(C)C1=O)c1ccccc1 ZINC000052885563 520008148 /nfs/dbraw/zinc/00/81/48/520008148.db2.gz XGKSSXXIANLWKI-AWEZNQCLSA-N 1 0 261.369 2.095 10 0 CEAERO CC[NH2+]Cc1ccnc(N(CC)[C@H](C)COC)c1 ZINC000051480351 520010467 /nfs/dbraw/zinc/01/04/67/520010467.db2.gz SKYYHYFUWFGVTA-GFCCVEGCSA-N 1 0 251.374 2.052 10 0 CEAERO CC[NH2+]Cc1ccnc(N2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000051519676 520010996 /nfs/dbraw/zinc/01/09/96/520010996.db2.gz LGURLEXFWZHHRT-LSDHHAIUSA-N 1 0 275.396 2.339 10 0 CEAERO CC[NH2+]Cc1cnc(N(CCOC)CC(C)C)s1 ZINC000054906805 520015649 /nfs/dbraw/zinc/01/56/49/520015649.db2.gz ATWAADWIDYDWMR-UHFFFAOYSA-N 1 0 271.430 2.361 10 0 CEAERO CCC[NH2+][C@@H](c1ccc(F)cc1)[C@@H]1COCCO1 ZINC000055300399 520017745 /nfs/dbraw/zinc/01/77/45/520017745.db2.gz ISFHKGWERPSZBX-KBPBESRZSA-N 1 0 253.317 2.282 10 0 CEAERO CC[NH2+]Cc1nccn1CC(=O)Nc1cccc(Cl)c1 ZINC000051004872 520023871 /nfs/dbraw/zinc/02/38/71/520023871.db2.gz MWSBYZJZWSSJHD-UHFFFAOYSA-N 1 0 292.770 2.285 10 0 CEAERO CCOCCOc1c(C[NH2+]CCOC)cccc1OCC ZINC000062732778 520036273 /nfs/dbraw/zinc/03/62/73/520036273.db2.gz YHSHKYGPRPDTPZ-UHFFFAOYSA-N 1 0 297.395 2.237 10 0 CEAERO CCCN[C@@](C)(C[C@@H](C)[N@H+](C)[C@@H](C)C1CC1)C(=O)OC ZINC000068625420 520041079 /nfs/dbraw/zinc/04/10/79/520041079.db2.gz GEXLVNHZQVCBKO-WWGRRREGSA-N 1 0 284.444 2.427 10 0 CEAERO CCCN[C@@](C[NH+](CC)CC)(C(=O)OCC)C1CC1 ZINC000069093385 520049621 /nfs/dbraw/zinc/04/96/21/520049621.db2.gz FNZAXBQNUMIHHK-OAHLLOKOSA-N 1 0 270.417 2.040 10 0 CEAERO CCCN[C@@](C[N@@H+]1CCCC(C)(C)C1)(C(=O)OC)C1CC1 ZINC000069517022 520051901 /nfs/dbraw/zinc/05/19/01/520051901.db2.gz IDPGSWDPVRNJOI-QGZVFWFLSA-N 1 0 296.455 2.430 10 0 CEAERO CCC[NH2+][C@@](CSC1CCCC1)(C(N)=O)C1CC1 ZINC000069190604 520056604 /nfs/dbraw/zinc/05/66/04/520056604.db2.gz RVXCYNHKHBROQS-CQSZACIVSA-N 1 0 270.442 2.296 10 0 CEAERO CCC[NH2+][C@@](COc1cccc(CC)c1)(C(N)=O)C1CC1 ZINC000069196623 520057546 /nfs/dbraw/zinc/05/75/46/520057546.db2.gz UWDGUKUMPIRGBC-QGZVFWFLSA-N 1 0 290.407 2.262 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N(C)c1ccccc1OC ZINC000061274522 520060328 /nfs/dbraw/zinc/06/03/28/520060328.db2.gz COEFLKPXYXJJHS-NSHDSACASA-N 1 0 250.342 2.046 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N(C)CCCc1ccccc1 ZINC000061269893 520060530 /nfs/dbraw/zinc/06/05/30/520060530.db2.gz RABGEOPXNPFONV-AWEZNQCLSA-N 1 0 262.397 2.466 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N1CCC[C@H]1c1ccncc1 ZINC000061269849 520061722 /nfs/dbraw/zinc/06/17/22/520061722.db2.gz RCGSNCVFUCXNSC-JSGCOSHPSA-N 1 0 261.369 2.133 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000061272516 520062418 /nfs/dbraw/zinc/06/24/18/520062418.db2.gz CRYRAHKEMVYEFM-SWLSCSKDSA-N 1 0 294.370 2.114 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N[C@@H](C)c1sc(C)nc1C ZINC000061273473 520067348 /nfs/dbraw/zinc/06/73/48/520067348.db2.gz CMGDUOOKJSIUBU-WPRPVWTQSA-N 1 0 269.414 2.325 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cn1 ZINC000061269316 520068825 /nfs/dbraw/zinc/06/88/25/520068825.db2.gz PSGRORGZXASOCP-QMMMGPOBSA-N 1 0 286.173 2.171 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000061271080 520069240 /nfs/dbraw/zinc/06/92/40/520069240.db2.gz IZZBRJJZBKKQTB-NSHDSACASA-N 1 0 272.352 2.403 10 0 CEAERO CC[NH2+][C@@H](C)c1cc(Cl)ccc1OC[C@@H](O)COC ZINC000069053764 520074604 /nfs/dbraw/zinc/07/46/04/520074604.db2.gz HVTDVFDRWFXNDI-JQWIXIFHSA-N 1 0 287.787 2.397 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(F)cc1O[C@H](CC)C(N)=O ZINC000062746899 520076093 /nfs/dbraw/zinc/07/60/93/520076093.db2.gz LCYXNNUXXJMGDT-JOYOIKCWSA-N 1 0 268.332 2.139 10 0 CEAERO CCC[NH2+][C@H](CCc1ccccc1)CS(C)(=O)=O ZINC000052789202 520080235 /nfs/dbraw/zinc/08/02/35/520080235.db2.gz PEFRVQKMPMQAQQ-CQSZACIVSA-N 1 0 269.410 2.032 10 0 CEAERO CCC[NH2+][C@H](Cc1cnn(C)c1)Cc1nc(C)cs1 ZINC000055269201 520087312 /nfs/dbraw/zinc/08/73/12/520087312.db2.gz WTWSSEYVYBKEDK-CYBMUJFWSA-N 1 0 278.425 2.338 10 0 CEAERO CCC[NH2+][C@H](Cc1cnn(CC)c1)Cc1ccccn1 ZINC000050542783 520088361 /nfs/dbraw/zinc/08/83/61/520088361.db2.gz GSULLRCBPLJOJB-MRXNPFEDSA-N 1 0 272.396 2.451 10 0 CEAERO CCC[NH2+][C@H](c1ccc(F)cc1F)[C@@H]1COCCO1 ZINC000055300564 520090729 /nfs/dbraw/zinc/09/07/29/520090729.db2.gz BPFOXNJUJBRLCB-UONOGXRCSA-N 1 0 271.307 2.421 10 0 CEAERO CCC[NH2+][C@H](c1ccc(OC)c(OC)c1)[C@H]1COCCO1 ZINC000055300397 520091060 /nfs/dbraw/zinc/09/10/60/520091060.db2.gz XYMNCLFEAHWCPY-HZPDHXFCSA-N 1 0 295.379 2.160 10 0 CEAERO CCCCCC[NH2+]CCN1CCO[C@@H]2CCC[C@@H]21 ZINC000053425944 520093569 /nfs/dbraw/zinc/09/35/69/520093569.db2.gz JCTYDVYWKNGDRN-LSDHHAIUSA-N 1 0 254.418 2.410 10 0 CEAERO CCC[NH2+][C@H]1COc2cc(OCC(=O)OCC)ccc21 ZINC000062805162 520097446 /nfs/dbraw/zinc/09/74/46/520097446.db2.gz BAKQUOQMMQLTIF-ZDUSSCGKSA-N 1 0 279.336 2.062 10 0 CEAERO CC[NH2+][C@@H](Cc1cnn(C)c1)Cc1ccc(OC)cc1 ZINC000050543036 520105592 /nfs/dbraw/zinc/10/55/92/520105592.db2.gz HEMLBDPFWCCTAU-OAHLLOKOSA-N 1 0 273.380 2.192 10 0 CEAERO CC[NH2+][C@@H](Cc1cnn(C)c1)Cc1cc(F)cc(F)c1 ZINC000050543098 520106023 /nfs/dbraw/zinc/10/60/23/520106023.db2.gz QGTVNGIBFNNIMN-OAHLLOKOSA-N 1 0 279.334 2.462 10 0 CEAERO CCCN[C@](C)(C[N@H+](C)C(C)(C)CC)C(=O)OC ZINC000069446654 520107673 /nfs/dbraw/zinc/10/76/73/520107673.db2.gz XJIBBLFUSBEWQJ-CQSZACIVSA-N 1 0 258.406 2.038 10 0 CEAERO CCCN[C@](C[N@H+](CCC)CC1CC1)(C(=O)OC)C1CC1 ZINC000069131893 520118553 /nfs/dbraw/zinc/11/85/53/520118553.db2.gz AXSZUJRTGZTLSP-KRWDZBQOSA-N 1 0 296.455 2.430 10 0 CEAERO CC[NH2+][C@@H]1CCCc2cc(OC[C@H](O)COCC)ccc21 ZINC000069275779 520118583 /nfs/dbraw/zinc/11/85/83/520118583.db2.gz FZZNGPIGVZKAQN-RHSMWYFYSA-N 1 0 293.407 2.450 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2CCC[C@@H]1S(C)(=O)=O ZINC000054930334 520126970 /nfs/dbraw/zinc/12/69/70/520126970.db2.gz QLMIXNYIYVIREE-UONOGXRCSA-N 1 0 267.394 2.087 10 0 CEAERO CCCCCC[C@H](C)NS(=O)(=O)CCCC[NH3+] ZINC000049204466 520130789 /nfs/dbraw/zinc/13/07/89/520130789.db2.gz WRVJTODADSYOAM-LBPRGKRZSA-N 1 0 264.435 2.004 10 0 CEAERO CCCNc1cc(C(=O)N[C@@H](C[NH+](C)C)C(C)C)ccn1 ZINC000050779723 520132417 /nfs/dbraw/zinc/13/24/17/520132417.db2.gz HIBCFLGOSBRPMS-AWEZNQCLSA-N 1 0 292.427 2.220 10 0 CEAERO CCN[C@@](C)(C[C@H](C)[N@@H+]1CCC[C@@H](CC)C1)C(=O)OC ZINC000068625675 520143946 /nfs/dbraw/zinc/14/39/46/520143946.db2.gz UZFZOCGOELRYCI-LZWOXQAQSA-N 1 0 284.444 2.428 10 0 CEAERO CCN[C@@](C[N@H+](CC)C(C)C)(C(=O)OCC)C1CC1 ZINC000069097178 520151850 /nfs/dbraw/zinc/15/18/50/520151850.db2.gz OHIPTVYRCVTZTN-OAHLLOKOSA-N 1 0 270.417 2.038 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N(C)Cc1ccc(OCC)cc1 ZINC000061271691 520162252 /nfs/dbraw/zinc/16/22/52/520162252.db2.gz BTNSYDKYSRJKTL-CYBMUJFWSA-N 1 0 278.396 2.432 10 0 CEAERO CCOC[C@H](O)COc1ccccc1[C@H](CC)[NH2+]C ZINC000069275135 520165622 /nfs/dbraw/zinc/16/56/22/520165622.db2.gz MCXAHXBSYRKKQD-JSGCOSHPSA-N 1 0 267.369 2.133 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1cnc2c(cnn2C(C)C)c1 ZINC000061273806 520171746 /nfs/dbraw/zinc/17/17/46/520171746.db2.gz KSDXHPDAEWBSRM-LLVKDONJSA-N 1 0 289.383 2.339 10 0 CEAERO CC[NH2+][C@H](C)[C@@H]1CCCCN1Cc1cccc(OC)n1 ZINC000070092845 520176584 /nfs/dbraw/zinc/17/65/84/520176584.db2.gz GPJXNNRSAWSJDP-HIFRSBDPSA-N 1 0 277.412 2.443 10 0 CEAERO CC[NH2+][C@H](c1cc(C)sc1C)[C@@H]1COCCO1 ZINC000055300145 520205778 /nfs/dbraw/zinc/20/57/78/520205778.db2.gz XTQYTYNRNJDKRV-QWHCGFSZSA-N 1 0 255.383 2.431 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2C[C@H]1Cc1cnn(C)c1 ZINC000050540787 520223552 /nfs/dbraw/zinc/22/35/52/520223552.db2.gz SDRBBYADEVHNMZ-GDBMZVCRSA-N 1 0 255.365 2.486 10 0 CEAERO CC1(C(=O)NCc2nc3ccccc3s2)CC[NH2+]CC1 ZINC000062841119 520225332 /nfs/dbraw/zinc/22/53/32/520225332.db2.gz FUZMRMHYQYROEF-UHFFFAOYSA-N 1 0 289.404 2.302 10 0 CEAERO CC[NH2+][C@](C)(CCCSCc1ccco1)C(N)=O ZINC000045548299 520230137 /nfs/dbraw/zinc/23/01/37/520230137.db2.gz LKIKUODZWAZDLI-CYBMUJFWSA-N 1 0 270.398 2.147 10 0 CEAERO CC[NH2+][C@](C)(CSCc1ccccc1C)C(N)=O ZINC000054964685 520233522 /nfs/dbraw/zinc/23/35/22/520233522.db2.gz ZJDLWEGZZFEMBT-CQSZACIVSA-N 1 0 266.410 2.082 10 0 CEAERO CC[NH2+][C@](C)(C[C@H](C)Oc1ccc(C)c(C)c1)C(N)=O ZINC000068656043 520240010 /nfs/dbraw/zinc/24/00/10/520240010.db2.gz RSIZTTYVEHAWSN-XJKSGUPXSA-N 1 0 278.396 2.314 10 0 CEAERO CCNc1cccc(C(=O)NCC[NH+](C(C)C)C(C)C)n1 ZINC000051068328 520333620 /nfs/dbraw/zinc/33/36/20/520333620.db2.gz XYZKTYPUEJVBPW-UHFFFAOYSA-N 1 0 292.427 2.362 10 0 CEAERO CCNc1ccccc1C(=O)N1CCC([NH+](C)C)CC1 ZINC000050754644 520338312 /nfs/dbraw/zinc/33/83/12/520338312.db2.gz XBEJERRQEKOEBL-UHFFFAOYSA-N 1 0 275.396 2.285 10 0 CEAERO CCNc1ccccc1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000050779364 520339824 /nfs/dbraw/zinc/33/98/24/520339824.db2.gz NBWREJTYKVDFPC-LBPRGKRZSA-N 1 0 273.380 2.085 10 0 CEAERO CCNc1ncccc1C(=O)NCCCC[N@H+](C)C(C)C ZINC000050779033 520374887 /nfs/dbraw/zinc/37/48/87/520374887.db2.gz QAVAPSHZLSKIKF-UHFFFAOYSA-N 1 0 292.427 2.364 10 0 CEAERO CCCOc1cccc([C@@H]([NH2+]CC2CC2)C(N)=O)c1 ZINC000052921467 520464971 /nfs/dbraw/zinc/46/49/71/520464971.db2.gz TXOSBVQXBFHZOJ-CQSZACIVSA-N 1 0 262.353 2.001 10 0 CEAERO CCCOc1ccccc1O[C@H](C)C[C@](C)([NH2+]C)C(N)=O ZINC000068653980 520486166 /nfs/dbraw/zinc/48/61/66/520486166.db2.gz IYWUTPBLMKVOAA-WBMJQRKESA-N 1 0 294.395 2.096 10 0 CEAERO CCCC[NH+](CCCC)CC[C@H](NC(C)C)C(N)=O ZINC000062444433 520493960 /nfs/dbraw/zinc/49/39/60/520493960.db2.gz ZMVOVXYGDJDYPL-AWEZNQCLSA-N 1 0 271.449 2.131 10 0 CEAERO CCN(CC)C(=O)C[C@H](C[NH3+])c1ccccc1F ZINC000057539080 520499700 /nfs/dbraw/zinc/49/97/00/520499700.db2.gz KYIUGNQUGOZDQQ-LLVKDONJSA-N 1 0 252.333 2.127 10 0 CEAERO CCN(CC)C(=O)[C@@H](C[NH3+])Cc1cc(F)c(F)c(F)c1 ZINC000062706160 520521853 /nfs/dbraw/zinc/52/18/53/520521853.db2.gz YXYJNCWXBHJOTH-SNVBAGLBSA-N 1 0 288.313 2.090 10 0 CEAERO CCCC[N@H+](CC[C@H](NC(C)C)C(=O)OC)C1CC1 ZINC000062459316 520538257 /nfs/dbraw/zinc/53/82/57/520538257.db2.gz WZLREZYHOVEOLX-AWEZNQCLSA-N 1 0 270.417 2.181 10 0 CEAERO CCCC[N@H+](CC[C@@H](N)C(=O)OCC)[C@@H](C)CC ZINC000062527705 520539512 /nfs/dbraw/zinc/53/95/12/520539512.db2.gz GEZDVNJBLDWIKX-QWHCGFSZSA-N 1 0 258.406 2.168 10 0 CEAERO CCCS(=O)(=O)c1ccccc1OC[C@@H]1CCC[NH2+]C1 ZINC000051883117 520545251 /nfs/dbraw/zinc/54/52/51/520545251.db2.gz ZXNQUJBRNAFJIO-CYBMUJFWSA-N 1 0 297.420 2.249 10 0 CEAERO CCOC(=O)CC(=O)C[N@H+](CC)CC(CC)CC ZINC000068813827 520589684 /nfs/dbraw/zinc/58/96/84/520589684.db2.gz AJEGTAUZYLAEGS-UHFFFAOYSA-N 1 0 257.374 2.267 10 0 CEAERO CCCCNC(=O)COc1ccccc1[C@H]([NH3+])CC ZINC000049279659 520626416 /nfs/dbraw/zinc/62/64/16/520626416.db2.gz JIJDQJXYYRGPSK-CYBMUJFWSA-N 1 0 264.369 2.392 10 0 CEAERO CC1(C)[C@@H]2CC[C@@]1(C)[C@H]([NH2+]C[C@@H]1COCCO1)C2 ZINC000062351068 520641072 /nfs/dbraw/zinc/64/10/72/520641072.db2.gz REDRUPHBEHTSFT-BHPKHCPMSA-N 1 0 253.386 2.206 10 0 CEAERO CCOC(=O)CC[NH2+][C@@H](C)c1ccc(OC)cc1F ZINC000045688158 520689497 /nfs/dbraw/zinc/68/94/97/520689497.db2.gz MHWVOUROKZRQQU-JTQLQIEISA-N 1 0 269.316 2.438 10 0 CEAERO CCOc1cc(C[NH2+]CCOC)ccc1OCCCOC ZINC000062731207 520715628 /nfs/dbraw/zinc/71/56/28/520715628.db2.gz ZXHANWNGPPWLNR-UHFFFAOYSA-N 1 0 297.395 2.237 10 0 CEAERO CC[NH+](CC)C[C@H](O)CNc1ccc(OC)cc1C ZINC000061567478 520738085 /nfs/dbraw/zinc/73/80/85/520738085.db2.gz SLASJKGADKQYBQ-CYBMUJFWSA-N 1 0 266.385 2.118 10 0 CEAERO CCOc1cc([C@H](O)[C@H]2CCC[NH2+]2)ccc1OC(F)F ZINC000070319146 520782182 /nfs/dbraw/zinc/78/21/82/520782182.db2.gz YXNRDTQKBFAVIC-MFKMUULPSA-N 1 0 287.306 2.472 10 0 CEAERO CCOC(=O)COc1cc(C[NH2+]CC(C)C)ccc1OC ZINC000062732554 520800188 /nfs/dbraw/zinc/80/01/88/520800188.db2.gz FGXMDNAGIJIGNU-UHFFFAOYSA-N 1 0 295.379 2.383 10 0 CEAERO CCC[C@@H]1C[C@@H]1NC(=O)c1ccccc1CC[NH2+]C ZINC000261568720 520870668 /nfs/dbraw/zinc/87/06/68/520870668.db2.gz LBLHSHJNJKXUSP-HIFRSBDPSA-N 1 0 260.381 2.367 10 0 CEAERO CCN(CC)c1c(C[NH2+]C(C)(C)C)c(C)nn1C ZINC000062734118 520875487 /nfs/dbraw/zinc/87/54/87/520875487.db2.gz JVBAFXOTFWNEPI-UHFFFAOYSA-N 1 0 252.406 2.463 10 0 CEAERO CC1CCC(CNC(=O)[C@H]2CCC[C@H](C)[NH2+]2)CC1 ZINC000063147041 520922731 /nfs/dbraw/zinc/92/27/31/520922731.db2.gz RZVFPXPBCCOLGT-GNRIBBGQSA-N 1 0 252.402 2.460 10 0 CEAERO CC1CCC(NC(=O)[C@@H]2[C@@H](C)CCC[C@@H]2[NH3+])CC1 ZINC000055124513 520949655 /nfs/dbraw/zinc/94/96/55/520949655.db2.gz OAKKHJZTJSHJIB-YCKYNJIMSA-N 1 0 252.402 2.445 10 0 CEAERO CC1CCN(C(=O)[C@H]2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000055145495 520988644 /nfs/dbraw/zinc/98/86/44/520988644.db2.gz UURDYJWPNZZCMT-KBPBESRZSA-N 1 0 252.402 2.400 10 0 CEAERO CC[N@H+](CCC[C@](C)(NC(C)C)C(=O)OC)CC1CC1 ZINC000069239485 521042491 /nfs/dbraw/zinc/04/24/91/521042491.db2.gz OHKBHSQWDLXYCQ-INIZCTEOSA-N 1 0 284.444 2.428 10 0 CEAERO CCOC(=O)[C@@H](CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)NC ZINC000062451383 521060428 /nfs/dbraw/zinc/06/04/28/521060428.db2.gz MBFPYMFQGVKRIE-RRFJBIMHSA-N 1 0 282.428 2.040 10 0 CEAERO CCC[C@H](C)[NH2+]C[C@@H](C)N(C)Cc1cnn(C)c1 ZINC000053497434 521061286 /nfs/dbraw/zinc/06/12/86/521061286.db2.gz VBBQFDJFZDUJIR-QWHCGFSZSA-N 1 0 252.406 2.019 10 0 CEAERO CCCC[C@@H]([NH3+])C(=O)Nc1ccccc1[C@H](C)O ZINC000049547483 521074040 /nfs/dbraw/zinc/07/40/40/521074040.db2.gz XOVMPUIWPKVCQP-CMPLNLGQSA-N 1 0 250.342 2.196 10 0 CEAERO CCC[C@H](CN1CCN(c2ccccc2OC)CC1)[NH2+]C ZINC000050184668 521099206 /nfs/dbraw/zinc/09/92/06/521099206.db2.gz RGYRNCJHCSXHDY-OAHLLOKOSA-N 1 0 291.439 2.205 10 0 CEAERO CCOC(=O)[C@@](C)(C[C@H](C)[N@@H+]1CCCC(C)(C)C1)NC ZINC000068647863 521150160 /nfs/dbraw/zinc/15/01/60/521150160.db2.gz FSIGZCRQSNOGFN-XJKSGUPXSA-N 1 0 284.444 2.428 10 0 CEAERO CCCC[C@H](C)[NH2+][C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000050887994 521153024 /nfs/dbraw/zinc/15/30/24/521153024.db2.gz HBIUIPRYRAAHBI-GXTWGEPZSA-N 1 0 274.364 2.487 10 0 CEAERO CCOC(=O)[C@@](C[N@H+](C)CC1CCCC1)(NC)C1CC1 ZINC000069233270 521164831 /nfs/dbraw/zinc/16/48/31/521164831.db2.gz STXIBJKNNCDBAK-INIZCTEOSA-N 1 0 282.428 2.040 10 0 CEAERO CCCC[C@H](CC)COCC[C@H]([NH2+]CCC)C(N)=O ZINC000062543003 521180696 /nfs/dbraw/zinc/18/06/96/521180696.db2.gz BMXMNKVWCGDBCF-KBPBESRZSA-N 1 0 272.433 2.463 10 0 CEAERO CCOC(=O)[C@H](C)Oc1c(C[NH2+]C2CC2)cccc1OC ZINC000049954858 521215508 /nfs/dbraw/zinc/21/55/08/521215508.db2.gz WPNACTWFVUPHIW-NSHDSACASA-N 1 0 293.363 2.278 10 0 CEAERO CCOc1ccc([C@@H](O)C[NH+](C)C)cc1OCC ZINC000062359397 521230829 /nfs/dbraw/zinc/23/08/29/521230829.db2.gz LMVJPZHEHXNMRW-LBPRGKRZSA-N 1 0 253.342 2.079 10 0 CEAERO CCN(C[C@H](C)C[NH3+])C(=O)c1cccc2ncccc21 ZINC000061410478 521248992 /nfs/dbraw/zinc/24/89/92/521248992.db2.gz XEAYACDOUYFTLL-GFCCVEGCSA-N 1 0 271.364 2.292 10 0 CEAERO CCOc1ccc([C@H](Cn2ccc(=O)cc2)[NH2+]C)cc1 ZINC000061627785 521263502 /nfs/dbraw/zinc/26/35/02/521263502.db2.gz YZXGUXXHIUUYTM-INIZCTEOSA-N 1 0 272.348 2.208 10 0 CEAERO CCC[C@](C)(CCS(=O)(=O)CC)C[NH2+]C1CC1 ZINC000054657140 521267744 /nfs/dbraw/zinc/26/77/44/521267744.db2.gz OULCTXRRXHAZOE-CYBMUJFWSA-N 1 0 261.431 2.370 10 0 CEAERO CCN(Cc1cc(C[NH3+])c(C)o1)Cc1ccncc1 ZINC000052514959 521288644 /nfs/dbraw/zinc/28/86/44/521288644.db2.gz VPKBHEALSLCPLW-UHFFFAOYSA-N 1 0 259.353 2.464 10 0 CEAERO CCC(C)(C)N(C)C(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000069449090 521294647 /nfs/dbraw/zinc/29/46/47/521294647.db2.gz HMUFAFDGEQKIJU-CQSZACIVSA-N 1 0 260.381 2.348 10 0 CEAERO CCOC(=O)[C@](C)(CC[N@@H+]1CCCC(C)(C)C1)NC ZINC000069517079 521319347 /nfs/dbraw/zinc/31/93/47/521319347.db2.gz AKMMNFBABDBOKL-HNNXBMFYSA-N 1 0 270.417 2.040 10 0 CEAERO CCOc1cccc(C[NH3+])c1OCCOC(C)C ZINC000049258924 521332207 /nfs/dbraw/zinc/33/22/07/521332207.db2.gz ARFNCSDBVRGGPA-UHFFFAOYSA-N 1 0 253.342 2.348 10 0 CEAERO CCCc1cc(NC)nc(CC[NH+](CC)CC)n1 ZINC000050849850 521379141 /nfs/dbraw/zinc/37/91/41/521379141.db2.gz TVBSJCUJVIZTLG-UHFFFAOYSA-N 1 0 250.390 2.355 10 0 CEAERO CCCc1ccc(OCC[C@H]([NH2+]C(C)C)C(N)=O)cc1 ZINC000062596192 521405384 /nfs/dbraw/zinc/40/53/84/521405384.db2.gz YKFWHTGTQJMURZ-HNNXBMFYSA-N 1 0 278.396 2.260 10 0 CEAERO CCC(CC)(CCS(=O)(=O)CC)C[NH2+]C1CC1 ZINC000054658808 521422434 /nfs/dbraw/zinc/42/24/34/521422434.db2.gz VKQYCQKIBYVNHK-UHFFFAOYSA-N 1 0 261.431 2.370 10 0 CEAERO CCN(c1cccc2ccccc21)S(=O)(=O)CC[NH2+]C ZINC000049629985 521496070 /nfs/dbraw/zinc/49/60/70/521496070.db2.gz YHJHFOJXKBVBJV-UHFFFAOYSA-N 1 0 292.404 2.215 10 0 CEAERO CCCc1nc(N(C)CCOC)sc1C[NH2+]C1CC1 ZINC000055001719 521528948 /nfs/dbraw/zinc/52/89/48/521528948.db2.gz CMIOUPAZIKUGAQ-UHFFFAOYSA-N 1 0 283.441 2.430 10 0 CEAERO CC[NH+]1CCC(N(C)c2nc(C)c([C@H](C)O)s2)CC1 ZINC000054927995 521566993 /nfs/dbraw/zinc/56/69/93/521566993.db2.gz CIIHUDHHTHDZOY-NSHDSACASA-N 1 0 283.441 2.425 10 0 CEAERO CC[NH+]1CCC(N(C)c2ncc([C@@H](C)O)s2)CC1 ZINC000054927999 521570926 /nfs/dbraw/zinc/57/09/26/521570926.db2.gz NPHBXTMXLQKMDF-SNVBAGLBSA-N 1 0 269.414 2.117 10 0 CEAERO CCOc1nc(N2CC[C@H]([NH+]3CCCCC3)C2)ccc1N ZINC000062976085 521605370 /nfs/dbraw/zinc/60/53/70/521605370.db2.gz YXLCQTRDPVUVFM-ZDUSSCGKSA-N 1 0 290.411 2.127 10 0 CEAERO CCOc1nc(N[C@H](C)C[NH+]2CCCCC2)ccc1N ZINC000049500796 521606507 /nfs/dbraw/zinc/60/65/07/521606507.db2.gz OWWVWAMYPIVUMB-GFCCVEGCSA-N 1 0 278.400 2.349 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C)c2ccc(C)o2)C1 ZINC000052501163 521620888 /nfs/dbraw/zinc/62/08/88/521620888.db2.gz BCJANSRFFQMSGO-QWHCGFSZSA-N 1 0 279.384 2.433 10 0 CEAERO CCCN(CC1CC1)c1c(C[NH2+]CCOC)c(C)nn1C ZINC000062737180 521626981 /nfs/dbraw/zinc/62/69/81/521626981.db2.gz JKOFIFMAYOSUCW-UHFFFAOYSA-N 1 0 294.443 2.091 10 0 CEAERO CCCn1c(S[C@@H](c2ccccc2)[C@@H](C)[NH3+])n[nH]c1=O ZINC000061594835 521635379 /nfs/dbraw/zinc/63/53/79/521635379.db2.gz XRRMVIVAQOOUHV-ZYHUDNBSSA-N 1 0 292.408 2.162 10 0 CEAERO CCOC1CC[NH+](Cc2cc(F)ccc2C(N)=S)CC1 ZINC000069402674 521656159 /nfs/dbraw/zinc/65/61/59/521656159.db2.gz BVRZNNHTYGKFEX-UHFFFAOYSA-N 1 0 296.411 2.461 10 0 CEAERO CCC1(C)CC[NH+]([C@H](C)C[C@](C)(NC2CC2)C(N)=O)CC1 ZINC000068645266 521678103 /nfs/dbraw/zinc/67/81/03/521678103.db2.gz LPJGSSNGDKEBLU-DYVFJYSZSA-N 1 0 295.471 2.273 10 0 CEAERO CCS(=O)(=O)c1ccc(N2CCC(CC[NH3+])CC2)cc1 ZINC000053705729 521688712 /nfs/dbraw/zinc/68/87/12/521688712.db2.gz RPMVUUVLJMQDDU-UHFFFAOYSA-N 1 0 296.436 2.045 10 0 CEAERO CCCN1C(=O)C[C@@H]([NH2+][C@@H](CC)C2CCCCC2)C1=O ZINC000052336405 521699571 /nfs/dbraw/zinc/69/95/71/521699571.db2.gz AASOMZRHSQMHBR-UONOGXRCSA-N 1 0 280.412 2.472 10 0 CEAERO CC[N@@H+]1CC[C@H](CNc2cc(Cl)nc(C)n2)C1 ZINC000052836354 521717844 /nfs/dbraw/zinc/71/78/44/521717844.db2.gz RIGIMPVIKMAHSX-SNVBAGLBSA-N 1 0 254.765 2.192 10 0 CEAERO CCNC(=O)CN(C)c1ccc(F)cc1C[NH2+]CC(C)C ZINC000062737466 521736270 /nfs/dbraw/zinc/73/62/70/521736270.db2.gz NGPREJIQOPKWER-UHFFFAOYSA-N 1 0 295.402 2.144 10 0 CEAERO CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)c1ccc(CC(C)C)cc1 ZINC000049201638 521745453 /nfs/dbraw/zinc/74/54/53/521745453.db2.gz KSDZNVVFWPVTCF-XJKSGUPXSA-N 1 0 292.423 2.033 10 0 CEAERO COc1c(C)cnc(CN[C@H](C)C[NH+]2CCCC2)c1C ZINC000049180430 521810849 /nfs/dbraw/zinc/81/08/49/521810849.db2.gz FOEUNLNAMJOBHY-CYBMUJFWSA-N 1 0 277.412 2.281 10 0 CEAERO COCC[C@@H]([NH3+])c1nc2cc(Br)ccc2[nH]1 ZINC000052785246 521832102 /nfs/dbraw/zinc/83/21/02/521832102.db2.gz QVIPCIWWZJAHJJ-MRVPVSSYSA-N 1 0 284.157 2.362 10 0 CEAERO C[NH+](C)C[C@@H]1CCCN1CCNc1cccc(F)c1 ZINC000061655177 521838363 /nfs/dbraw/zinc/83/83/63/521838363.db2.gz AQZRWQAMENCHPG-HNNXBMFYSA-N 1 0 265.376 2.264 10 0 CEAERO C[NH+](C)C[C@@H]1CCCN1Cc1cc(N)ccc1Cl ZINC000061641778 521841887 /nfs/dbraw/zinc/84/18/87/521841887.db2.gz GTKAAYVEHZSDIX-ZDUSSCGKSA-N 1 0 267.804 2.448 10 0 CEAERO C[NH+](C)C[C@@H]1CCCN1c1nc(C(C)(C)C)c(CO)s1 ZINC000061655625 521844623 /nfs/dbraw/zinc/84/46/23/521844623.db2.gz OURNWFHDLHPBJG-NSHDSACASA-N 1 0 297.468 2.463 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1c1nc(C2CC2)c(C=O)s1 ZINC000069181234 521875455 /nfs/dbraw/zinc/87/54/55/521875455.db2.gz LRXSLLCMBOSZBM-LLVKDONJSA-N 1 0 279.409 2.363 10 0 CEAERO COC(=O)c1cc(N[C@@H](C[NH+](C)C)C(C)C)c(F)cc1N ZINC000050031854 521897192 /nfs/dbraw/zinc/89/71/92/521897192.db2.gz KXJPPHOXVKLSTN-AWEZNQCLSA-N 1 0 297.374 2.193 10 0 CEAERO C[NH+](C)Cc1cccc(NC(=O)c2csc(N)n2)c1 ZINC000055186167 521930848 /nfs/dbraw/zinc/93/08/48/521930848.db2.gz KPVSZXGEYURNAT-UHFFFAOYSA-N 1 0 276.365 2.039 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N1CCC[C@@H]1c1ccc(OC)cc1 ZINC000061316885 521933361 /nfs/dbraw/zinc/93/33/61/521933361.db2.gz IQRAJMXOIKONQR-CQSZACIVSA-N 1 0 276.380 2.357 10 0 CEAERO CC[C@@H](C)C[NH2+][C@H]1CC(=O)N(C2CCCCCC2)C1=O ZINC000054469772 522000158 /nfs/dbraw/zinc/00/01/58/522000158.db2.gz VJLJIXXQNAJOQJ-OCCSQVGLSA-N 1 0 280.412 2.472 10 0 CEAERO C[NH2+]CC[C@@H]1CCCCN1C(=O)c1ccc2c[nH]nc2c1 ZINC000070191937 522015626 /nfs/dbraw/zinc/01/56/26/522015626.db2.gz ZRQRPVVBAZVSPQ-AWEZNQCLSA-N 1 0 286.379 2.167 10 0 CEAERO C[NH2+]CC[C@H]1CCCCN1C(=O)c1cccc(N(C)C)c1 ZINC000070191278 522017964 /nfs/dbraw/zinc/01/79/64/522017964.db2.gz PNRNMIZKBXKASV-OAHLLOKOSA-N 1 0 289.423 2.357 10 0 CEAERO C[NH2+]C[C@@H](O)CSc1cccc(Br)c1 ZINC000055308007 522034017 /nfs/dbraw/zinc/03/40/17/522034017.db2.gz PAQHRTXBHVYLMG-SECBINFHSA-N 1 0 276.199 2.122 10 0 CEAERO C[NH2+]C[C@@H](OCCOC(C)C)c1cccc(OC)c1 ZINC000050495313 522036734 /nfs/dbraw/zinc/03/67/34/522036734.db2.gz FPGBNABJWMRCLQ-OAHLLOKOSA-N 1 0 267.369 2.397 10 0 CEAERO C[NH2+]C[C@@]1(Cc2ccc(OC)c(F)c2)CCOC1 ZINC000054663694 522063738 /nfs/dbraw/zinc/06/37/38/522063738.db2.gz LPGYDNAWRKANMN-AWEZNQCLSA-N 1 0 253.317 2.003 10 0 CEAERO C[NH2+]Cc1cc(C)nc(Cc2ccc(OC)c(OC)c2)n1 ZINC000054830872 522104185 /nfs/dbraw/zinc/10/41/85/522104185.db2.gz DJFBCQKSGSAJCV-UHFFFAOYSA-N 1 0 287.363 2.112 10 0 CEAERO C[NH2+]Cc1cc(Cn2nc(C)c(Br)c2C)on1 ZINC000052573621 522112702 /nfs/dbraw/zinc/11/27/02/522112702.db2.gz JRSATRIOCCAHCS-UHFFFAOYSA-N 1 0 299.172 2.018 10 0 CEAERO CC[C@@H](C)[NH+]1CCN([C@H]2CCCCCC2=O)CC1 ZINC000055064225 522131083 /nfs/dbraw/zinc/13/10/83/522131083.db2.gz SCPDHZBACWRRQR-KGLIPLIRSA-N 1 0 252.402 2.304 10 0 CEAERO C[NH2+]Cc1nnc(-c2cc(F)ccc2Br)o1 ZINC000050615311 522154697 /nfs/dbraw/zinc/15/46/97/522154697.db2.gz RRDLVXTZYFLVRB-UHFFFAOYSA-N 1 0 286.104 2.358 10 0 CEAERO CN(C)c1cccc(OC[C@@H]2CC[C@H](C[NH2+]C3CC3)O2)c1 ZINC000052703627 522283499 /nfs/dbraw/zinc/28/34/99/522283499.db2.gz FMUVKAFFVCOSHN-SJORKVTESA-N 1 0 290.407 2.431 10 0 CEAERO CC[C@@H](C)[C@@H]1C[NH2+][C@H](C(C)C)CN1CCn1cccn1 ZINC000068703065 522331780 /nfs/dbraw/zinc/33/17/80/522331780.db2.gz KPWCNSBJXAJGID-PMPSAXMXSA-N 1 0 278.444 2.228 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(NC(=O)[C@@H]2CCCCO2)cc1 ZINC000050959754 522333492 /nfs/dbraw/zinc/33/34/92/522333492.db2.gz FWGHFBYMIRTUAL-FZMZJTMJSA-N 1 0 262.353 2.475 10 0 CEAERO CC[C@H]([NH3+])Cc1ccnc(COc2ccccc2)n1 ZINC000054834527 522335251 /nfs/dbraw/zinc/33/52/51/522335251.db2.gz XAJXFEHKJUPZIM-LBPRGKRZSA-N 1 0 257.337 2.335 10 0 CEAERO C[NH2+][C@@H](C)c1cccc(NC(=O)NC[C@H]2CCOC2)c1 ZINC000061148548 522335389 /nfs/dbraw/zinc/33/53/89/522335389.db2.gz FSBBSWOGIBOPDG-NWDGAFQWSA-N 1 0 277.368 2.125 10 0 CEAERO CC[C@H]([NH3+])Cc1cnc(COc2ccccc2)nc1 ZINC000054858118 522335574 /nfs/dbraw/zinc/33/55/74/522335574.db2.gz DNTQNSYLIPXGHQ-ZDUSSCGKSA-N 1 0 257.337 2.335 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1nnc2ccccn21)C(F)(F)F ZINC000061406502 522343999 /nfs/dbraw/zinc/34/39/99/522343999.db2.gz SDLDMVVDXHZGLD-CBAPKCEASA-N 1 0 290.314 2.490 10 0 CEAERO C[NH2+][C@@H](CN1CCN(c2cccc(C)c2C)CC1)C1CC1 ZINC000069073800 522355167 /nfs/dbraw/zinc/35/51/67/522355167.db2.gz FJDPTVCROOIJNM-KRWDZBQOSA-N 1 0 287.451 2.423 10 0 CEAERO C[NH2+][C@@H](c1ccc(OC)c(Cl)c1)[C@H]1COCCO1 ZINC000055299273 522370045 /nfs/dbraw/zinc/37/00/45/522370045.db2.gz JYDWRPQBGOATRP-OLZOCXBDSA-N 1 0 271.744 2.025 10 0 CEAERO C[NH2+][C@@H](c1ccc2c(c1)CCC(=O)N2C)[C@@H]1CCCO1 ZINC000062806585 522370490 /nfs/dbraw/zinc/37/04/90/522370490.db2.gz PWASLMXQXZHRLR-HOCLYGCPSA-N 1 0 274.364 2.035 10 0 CEAERO CCc1nc(N(C)CCOC)sc1C[NH2+]C(C)C ZINC000055001774 522379116 /nfs/dbraw/zinc/37/91/16/522379116.db2.gz UJGNPKFFGJBZGM-UHFFFAOYSA-N 1 0 271.430 2.286 10 0 CEAERO CCc1nc(N2CCOC[C@H]2C)sc1C[NH2+]C(C)C ZINC000054997355 522388456 /nfs/dbraw/zinc/38/84/56/522388456.db2.gz UBHJHTMAENJWTB-LLVKDONJSA-N 1 0 283.441 2.429 10 0 CEAERO C[NH2+][C@@H]1CCCc2nc(N3CCSCC3)sc21 ZINC000054901812 522389220 /nfs/dbraw/zinc/38/92/20/522389220.db2.gz DMVFIPGZGUJVII-SECBINFHSA-N 1 0 269.439 2.293 10 0 CEAERO CN[C@@](C)(C[C@@H](C)[N@H+](C)C1CCC(C)CC1)C(=O)OC ZINC000068637533 522414302 /nfs/dbraw/zinc/41/43/02/522414302.db2.gz TYSSYZVNSFDRQW-MFQJDOPTSA-N 1 0 284.444 2.427 10 0 CEAERO C[NH2+][C@@](COc1ccccc1C(C)C)(C(N)=O)C1CC1 ZINC000069197797 522430150 /nfs/dbraw/zinc/43/01/50/522430150.db2.gz LKONBAVEFQRIJX-MRXNPFEDSA-N 1 0 276.380 2.042 10 0 CEAERO C[NH2+][C@@](CSc1ccc(C)c(C)c1)(C(N)=O)C1CC1 ZINC000069187521 522432532 /nfs/dbraw/zinc/43/25/32/522432532.db2.gz HNZXGNFUIZZDGK-OAHLLOKOSA-N 1 0 278.421 2.249 10 0 CEAERO C[NH2+][C@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000048775787 522438591 /nfs/dbraw/zinc/43/85/91/522438591.db2.gz MUWDJNQTRTZDEV-MRVPVSSYSA-N 1 0 271.158 2.304 10 0 CEAERO C[NH2+][C@H](C)C[C@H](C)N1CCN(c2ccccc2OC)CC1 ZINC000068654169 522439922 /nfs/dbraw/zinc/43/99/22/522439922.db2.gz MBASLHSHLOVGPM-CABCVRRESA-N 1 0 291.439 2.204 10 0 CEAERO C[NH2+][C@H](COC1CCC1)c1ccc2c(c1)OCCO2 ZINC000050520072 522468466 /nfs/dbraw/zinc/46/84/66/522468466.db2.gz WYMJHCVLDBMELV-CYBMUJFWSA-N 1 0 263.337 2.287 10 0 CEAERO C[NH2+][C@H](CS(C)(=O)=O)c1ccc2ccccc2c1 ZINC000054930207 522471079 /nfs/dbraw/zinc/47/10/79/522471079.db2.gz DVIPCVWIZWDYOF-CQSZACIVSA-N 1 0 263.362 2.145 10 0 CEAERO C[NH2+][C@H](Cn1ncccc1=O)c1ccc2ccccc2c1 ZINC000061402627 522478151 /nfs/dbraw/zinc/47/81/51/522478151.db2.gz ZOUXHHXEMWFRNW-MRXNPFEDSA-N 1 0 279.343 2.357 10 0 CEAERO C[NH2+][C@H](c1ccc(F)c(F)c1)C(C)(C)S(C)(=O)=O ZINC000070128621 522480642 /nfs/dbraw/zinc/48/06/42/522480642.db2.gz KRLDJORMKCJUQF-LLVKDONJSA-N 1 0 277.336 2.049 10 0 CEAERO COc1cc(C[NH2+][C@@H]2C[C@H]2C)cc(OC)c1OC ZINC000052269324 522481365 /nfs/dbraw/zinc/48/13/65/522481365.db2.gz XFPVHDBEATUEKC-MWLCHTKSSA-N 1 0 251.326 2.210 10 0 CEAERO C[NH2+][C@H](c1ccc2c(c1)C(=O)N(C)C(=O)C2)[C@H](C)C(C)C ZINC000070124003 522482658 /nfs/dbraw/zinc/48/26/58/522482658.db2.gz LOVHFQZEHMVILG-BZNIZROVSA-N 1 0 288.391 2.394 10 0 CEAERO C[NH2+][C@H](c1ccnn1C)c1ccc2ncccc2c1 ZINC000069468106 522484599 /nfs/dbraw/zinc/48/45/99/522484599.db2.gz NANIACJWRLWJSL-HNNXBMFYSA-N 1 0 252.321 2.277 10 0 CEAERO C[NH2+][C@H](c1cncnc1)c1ccc2ncccc2c1 ZINC000062802216 522484710 /nfs/dbraw/zinc/48/47/10/522484710.db2.gz XLCPALYERNEFNX-HNNXBMFYSA-N 1 0 250.305 2.334 10 0 CEAERO C[NH2+][C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000049648364 522504037 /nfs/dbraw/zinc/50/40/37/522504037.db2.gz AKOIWTPYIKHOHQ-VIFPVBQESA-N 1 0 259.136 2.318 10 0 CEAERO C[NH2+][C@H]1CCc2c1cccc2OCC(=O)OC(C)C ZINC000062798892 522505862 /nfs/dbraw/zinc/50/58/62/522505862.db2.gz CWBXDYPOKCYDIU-ZDUSSCGKSA-N 1 0 263.337 2.224 10 0 CEAERO COc1cc(Cl)ccc1C(=O)N1[C@@H](C)C[NH2+]C[C@@H]1C ZINC000069133024 522546832 /nfs/dbraw/zinc/54/68/32/522546832.db2.gz PCVJNXJWQYLSFF-UWVGGRQHSA-N 1 0 282.771 2.171 10 0 CEAERO CCc1nccn1-c1ccc(C[NH2+]CCOC)cc1 ZINC000062738831 522578353 /nfs/dbraw/zinc/57/83/53/522578353.db2.gz CVWDHBJZWGGAAT-UHFFFAOYSA-N 1 0 259.353 2.171 10 0 CEAERO COc1cc(F)c([C@H]([NH3+])C2CCOCC2)c(F)c1 ZINC000061672156 522586650 /nfs/dbraw/zinc/58/66/50/522586650.db2.gz FMPMVUZKHXTXJL-CYBMUJFWSA-N 1 0 257.280 2.400 10 0 CEAERO CNc1ccc(C)cc1C(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000053004074 522604654 /nfs/dbraw/zinc/60/46/54/522604654.db2.gz FGOZKBOCHFCZDD-HNNXBMFYSA-N 1 0 277.412 2.353 10 0 CEAERO CNc1ccc(CN2CC[C@H]([NH+]3CCCCC3)C2)cn1 ZINC000062969565 522611157 /nfs/dbraw/zinc/61/11/57/522611157.db2.gz HPPVDIPZYFJXCF-HNNXBMFYSA-N 1 0 274.412 2.184 10 0 CEAERO CNc1ccc(Cl)cc1C(=O)NCCCC[NH+](C)C ZINC000050778743 522625987 /nfs/dbraw/zinc/62/59/87/522625987.db2.gz AFICJYCCLQHLDB-UHFFFAOYSA-N 1 0 283.803 2.453 10 0 CEAERO CC[C@@H]([NH3+])[C@@](O)(c1cc(F)ccc1F)C(F)(F)F ZINC000062784620 522652315 /nfs/dbraw/zinc/65/23/15/522652315.db2.gz XPKNWYGKCRXJBP-ZJUUUORDSA-N 1 0 269.213 2.452 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C)c1sccc1C ZINC000061592654 522653033 /nfs/dbraw/zinc/65/30/33/522653033.db2.gz YNQAEYLCFDTLAF-SCZZXKLOSA-N 1 0 298.437 2.049 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1nccc(C)n1)c1cnn(C)c1 ZINC000051331289 522653691 /nfs/dbraw/zinc/65/36/91/522653691.db2.gz LMQNFXHCAJZRAB-VXGBXAGGSA-N 1 0 277.397 2.089 10 0 CEAERO COC1CCN(c2nc3c(s2)[C@H]([NH3+])CCC3)CC1 ZINC000054895421 522710084 /nfs/dbraw/zinc/71/00/84/522710084.db2.gz FYLPFEKAGURCLR-SNVBAGLBSA-N 1 0 267.398 2.094 10 0 CEAERO CN(CC[NH2+]Cc1ccccc1)Cc1cccnc1 ZINC000053383451 522867658 /nfs/dbraw/zinc/86/76/58/522867658.db2.gz YZUVZTVJGBKQLG-UHFFFAOYSA-N 1 0 255.365 2.303 10 0 CEAERO CC[C@H](Oc1ccc(Cl)cc1C[NH2+]C(C)C)C(N)=O ZINC000061675740 522871849 /nfs/dbraw/zinc/87/18/49/522871849.db2.gz SWHDXHZBGPUHCK-LBPRGKRZSA-N 1 0 284.787 2.481 10 0 CEAERO CC[C@@H]([NH2+][C@H]1CC(=O)N(C(C)C)C1=O)c1cccs1 ZINC000049529732 522945450 /nfs/dbraw/zinc/94/54/50/522945450.db2.gz NTOIEABYBTUJMV-MNOVXSKESA-N 1 0 280.393 2.325 10 0 CEAERO CN(CCc1ccccn1)C(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050940799 522960014 /nfs/dbraw/zinc/96/00/14/522960014.db2.gz HQYWJSATMFNNCW-CQSZACIVSA-N 1 0 275.396 2.005 10 0 CEAERO CN(CCc1ccncc1)c1cccc(F)c1C(N)=[NH2+] ZINC000062714836 522981739 /nfs/dbraw/zinc/98/17/39/522981739.db2.gz OTCXQELUICNWON-UHFFFAOYSA-N 1 0 272.327 2.184 10 0 CEAERO CC[C@H]1CCC[N@@H+]1C[C@](NC(C)C)(C(=O)OC)C1CC1 ZINC000069088312 523108098 /nfs/dbraw/zinc/10/80/98/523108098.db2.gz GWPGOLCKPZPUSC-GOEBONIOSA-N 1 0 282.428 2.181 10 0 CEAERO COC(=O)CC[C@@H]([NH3+])Cc1ccccc1OC(F)(F)F ZINC000061893159 523111754 /nfs/dbraw/zinc/11/17/54/523111754.db2.gz ZZHNJZMRZPUBKT-SNVBAGLBSA-N 1 0 291.269 2.408 10 0 CEAERO COC(=O)COC[C@@H]([NH3+])c1ccc2cc(OC)ccc2c1 ZINC000049955943 523215477 /nfs/dbraw/zinc/21/54/77/523215477.db2.gz UGQKUDFPMWSMSK-OAHLLOKOSA-N 1 0 289.331 2.038 10 0 CEAERO COc1ccc(-c2ncc([C@H](C)[NH3+])c(C)n2)cc1OC ZINC000054962515 523236982 /nfs/dbraw/zinc/23/69/82/523236982.db2.gz DVWYWCWRWMFEDI-VIFPVBQESA-N 1 0 273.336 2.489 10 0 CEAERO CO[C@@H](C(=O)NCc1ccc(C[NH3+])cc1)c1ccccc1 ZINC000050436887 523326507 /nfs/dbraw/zinc/32/65/07/523326507.db2.gz ARCXEWSFBVHLFL-MRXNPFEDSA-N 1 0 284.359 2.149 10 0 CEAERO COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CCCc2sccc21 ZINC000061362446 523358031 /nfs/dbraw/zinc/35/80/31/523358031.db2.gz LYCCRWMMNHDYIA-WCQYABFASA-N 1 0 296.436 2.256 10 0 CEAERO CN(Cc1ccccc1F)CC1(C[NH3+])CCOCC1 ZINC000052183397 523369467 /nfs/dbraw/zinc/36/94/67/523369467.db2.gz YFBZXSBIBAZZEW-UHFFFAOYSA-N 1 0 266.360 2.013 10 0 CEAERO CCn1cc(C[C@@H]([NH3+])Cc2ccccc2OC)cn1 ZINC000050543002 523394000 /nfs/dbraw/zinc/39/40/00/523394000.db2.gz QBSRMPJEWMBJCT-CQSZACIVSA-N 1 0 259.353 2.024 10 0 CEAERO CCn1cc(C[C@H]([NH3+])c2cc(F)cc(F)c2)cn1 ZINC000050543153 523395626 /nfs/dbraw/zinc/39/56/26/523395626.db2.gz KKDVDTJXMGCZHS-ZDUSSCGKSA-N 1 0 251.280 2.424 10 0 CEAERO CCn1cc(C[C@H](Cc2ccc(F)cc2)[NH2+]C)cn1 ZINC000050542704 523396523 /nfs/dbraw/zinc/39/65/23/523396523.db2.gz ZFODFYFBRULTFH-HNNXBMFYSA-N 1 0 261.344 2.415 10 0 CEAERO CC[C@@H]1CN(c2cccc(Cl)c2C(N)=[NH2+])CCO1 ZINC000052905035 523470245 /nfs/dbraw/zinc/47/02/45/523470245.db2.gz YCVCYWJTWSWSOK-SECBINFHSA-N 1 0 267.760 2.239 10 0 CEAERO CC[C@@H]1CN(c2nc(C3CC3)c(C[NH2+]C)s2)CCO1 ZINC000069147045 523473012 /nfs/dbraw/zinc/47/30/12/523473012.db2.gz UMZAQODCTRXRDG-LLVKDONJSA-N 1 0 281.425 2.355 10 0 CEAERO CN(Cc1cnn(C)c1)Cc1oc2ccccc2c1C[NH3+] ZINC000052570376 523514888 /nfs/dbraw/zinc/51/48/88/523514888.db2.gz ZACJCLHDAMXHKI-UHFFFAOYSA-N 1 0 284.363 2.257 10 0 CEAERO CC[C@@H]1CO[C@H](C)CN1CC[NH2+]CCc1cccs1 ZINC000053442113 523515402 /nfs/dbraw/zinc/51/54/02/523515402.db2.gz KQZWLGQXHZMLCS-ZIAGYGMSSA-N 1 0 282.453 2.380 10 0 CEAERO CN(Cc1cnn(C)c1)Cc1c2ccccc2oc1C[NH3+] ZINC000052570343 523517276 /nfs/dbraw/zinc/51/72/76/523517276.db2.gz MEKYIMYJNPOXCW-UHFFFAOYSA-N 1 0 284.363 2.257 10 0 CEAERO CN(Cc1csc(C[NH3+])n1)c1ccccc1F ZINC000052543088 523523886 /nfs/dbraw/zinc/52/38/86/523523886.db2.gz HYQAXMVSBHTSMU-UHFFFAOYSA-N 1 0 251.330 2.377 10 0 CEAERO CC[C@]1(C(=O)N(CC(F)(F)F)C2CC2)CCC[NH2+]C1 ZINC000062860172 523535019 /nfs/dbraw/zinc/53/50/19/523535019.db2.gz BZNACQCZOSKZPJ-LBPRGKRZSA-N 1 0 278.318 2.320 10 0 CEAERO CC[C@]1(C(=O)N2CCn3c(C)ccc3[C@@H]2C)CC[NH2+]C1 ZINC000062894447 523536400 /nfs/dbraw/zinc/53/64/00/523536400.db2.gz YZAAQUSLTMMIEN-BBRMVZONSA-N 1 0 275.396 2.089 10 0 CEAERO CCn1ccnc1[C@@H]([NH3+])c1cccc2cccnc21 ZINC000061418599 523553659 /nfs/dbraw/zinc/55/36/59/523553659.db2.gz AGDCIDBMACPJGT-ZDUSSCGKSA-N 1 0 252.321 2.499 10 0 CEAERO CCn1cnnc1[C@H]1CCC[N@H+](C/C=C/Cl)C1 ZINC000161425700 523603489 /nfs/dbraw/zinc/60/34/89/523603489.db2.gz QBHNOEQJGAKSBK-MALLOTDXSA-N 1 0 254.765 2.230 10 0 CEAERO COCCN(CC(C)C)C(=O)C[C@H]1CCC[C@H]([NH3+])C1 ZINC000055133053 523673653 /nfs/dbraw/zinc/67/36/53/523673653.db2.gz UVSNYYMRFYFVPE-KBPBESRZSA-N 1 0 270.417 2.025 10 0 CEAERO COc1ccc(C(=O)N2[C@@H](C)CCC[C@H]2C[NH3+])c(OC)c1 ZINC000070151756 523674871 /nfs/dbraw/zinc/67/48/71/523674871.db2.gz LUXWFEHACGVUFO-RYUDHWBXSA-N 1 0 292.379 2.046 10 0 CEAERO CC[C@@]1(C(=O)N(CCOC)Cc2cccs2)CC[NH2+]C1 ZINC000062894810 523690289 /nfs/dbraw/zinc/69/02/89/523690289.db2.gz HJWAQZKWTUNXQT-OAHLLOKOSA-N 1 0 296.436 2.113 10 0 CEAERO CC[C@@]1(C(=O)N(C)[C@H]2CCCC[C@@H]2C)CC[NH2+]C1 ZINC000062895096 523690659 /nfs/dbraw/zinc/69/06/59/523690659.db2.gz CQHACVFSRGHELR-KCQAQPDRSA-N 1 0 252.402 2.413 10 0 CEAERO CCn1nccc1[C@@H](Cc1cccc(OC)c1)[NH2+]C ZINC000069471415 523745296 /nfs/dbraw/zinc/74/52/96/523745296.db2.gz AKDOCTFCMKRVEJ-CQSZACIVSA-N 1 0 259.353 2.415 10 0 CEAERO COCCN(c1ccc(Cl)cc1C(N)=[NH2+])C1CC1 ZINC000052860138 523782515 /nfs/dbraw/zinc/78/25/15/523782515.db2.gz RXGYXQDWQFQTOQ-UHFFFAOYSA-N 1 0 267.760 2.239 10 0 CEAERO COCCN(c1cccc(Cl)c1C(N)=[NH2+])C1CC1 ZINC000052905600 523783834 /nfs/dbraw/zinc/78/38/34/523783834.db2.gz BBTJBUPHFDXQPV-UHFFFAOYSA-N 1 0 267.760 2.239 10 0 CEAERO COCCN(c1cccc(Cl)c1C(N)=[NH2+])[C@@H](C)COC ZINC000052905780 523784322 /nfs/dbraw/zinc/78/43/22/523784322.db2.gz LNYWKAIETYTADB-JTQLQIEISA-N 1 0 299.802 2.112 10 0 CEAERO C[N@@H+]1CCCC[C@@H]1CCNc1ccc(S(C)(=O)=O)cc1 ZINC000052205293 523793566 /nfs/dbraw/zinc/79/35/66/523793566.db2.gz PNJGMVSLVUAVAS-CQSZACIVSA-N 1 0 296.436 2.376 10 0 CEAERO C[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc2c1CCCN2 ZINC000061412505 523799061 /nfs/dbraw/zinc/79/90/61/523799061.db2.gz LOUDOFMKNXTJGC-ZDUSSCGKSA-N 1 0 287.407 2.259 10 0 CEAERO COC(=O)[C@@](C)(N)C[C@@H](C)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000068632788 523818762 /nfs/dbraw/zinc/81/87/62/523818762.db2.gz PGMJJVDKBOUCJK-XPKDYRNWSA-N 1 0 282.428 2.310 10 0 CEAERO COC(=O)[C@@](C)([NH3+])C[C@H](C)n1c(C)nc2ccccc21 ZINC000068648787 523819612 /nfs/dbraw/zinc/81/96/12/523819612.db2.gz QMQSXEGPLAYWHI-BONVTDFDSA-N 1 0 275.352 2.186 10 0 CEAERO CCc1ccc(C(=O)N2CC[C@@H](C)[C@H]([NH3+])C2)s1 ZINC000070145384 523887496 /nfs/dbraw/zinc/88/74/96/523887496.db2.gz HVIXUUQHDFDIIQ-MWLCHTKSSA-N 1 0 252.383 2.120 10 0 CEAERO COCC[NH2+]CC1(Cc2cccc(OC)c2)CCOCC1 ZINC000061674612 523935814 /nfs/dbraw/zinc/93/58/14/523935814.db2.gz KROXYFLFBXAPPL-UHFFFAOYSA-N 1 0 293.407 2.271 10 0 CEAERO COCC[NH2+]CCCn1cc(-c2ccccc2)cn1 ZINC000054962253 523936739 /nfs/dbraw/zinc/93/67/39/523936739.db2.gz VBSUKSVTIXHAOE-UHFFFAOYSA-N 1 0 259.353 2.176 10 0 CEAERO COCC[NH2+]CCCc1cnn(-c2ccc(F)cc2)c1 ZINC000054670319 523937093 /nfs/dbraw/zinc/93/70/93/523937093.db2.gz BDYSKGICJMHRQA-UHFFFAOYSA-N 1 0 277.343 2.180 10 0 CEAERO CC[C@H](C)N(CCOC)c1nc(C)c(C[NH2+]C)s1 ZINC000055001144 523939003 /nfs/dbraw/zinc/93/90/03/523939003.db2.gz GBRMIEQHHOUJAV-JTQLQIEISA-N 1 0 271.430 2.422 10 0 CEAERO COCC[NH2+]C[C@@H](O)c1c(OC)ccc2ccccc21 ZINC000055030652 523940357 /nfs/dbraw/zinc/94/03/57/523940357.db2.gz PPBBXBHZMYMNGJ-CQSZACIVSA-N 1 0 275.348 2.118 10 0 CEAERO COCC[NH2+]C[C@H](CCOC)Cc1ccc(C)cc1 ZINC000054666676 523943334 /nfs/dbraw/zinc/94/33/34/523943334.db2.gz SAXNVJDSJFRCDM-MRXNPFEDSA-N 1 0 265.397 2.426 10 0 CEAERO COCC[NH2+]C[C@H]1C[C@@]1(C)c1ccc(OC)c(OC)c1 ZINC000054599226 523944535 /nfs/dbraw/zinc/94/45/35/523944535.db2.gz CZWZOZAPMADQDN-CJNGLKHVSA-N 1 0 279.380 2.217 10 0 CEAERO COCC[NH2+]Cc1cc(OC)ccc1OCC(F)F ZINC000062727678 523949749 /nfs/dbraw/zinc/94/97/49/523949749.db2.gz IOUNDLSSRIYNJM-UHFFFAOYSA-N 1 0 275.295 2.075 10 0 CEAERO CC[C@H](C)[NH+]1CCN(C(=O)c2cc(N)cn2C(C)C)CC1 ZINC000055063585 523951447 /nfs/dbraw/zinc/95/14/47/523951447.db2.gz AEYDEBIMRSNLAD-ZDUSSCGKSA-N 1 0 292.427 2.208 10 0 CEAERO CC[C@H](C)[NH+]1CCN(C[C@](C)(O)c2ccccc2)CC1 ZINC000055068932 523955192 /nfs/dbraw/zinc/95/51/92/523955192.db2.gz AYPCHAFNXCBDRO-RDJZCZTQSA-N 1 0 276.424 2.310 10 0 CEAERO COCC[NH2+]Cc1ccccc1N1CCC(OC)CC1 ZINC000062735598 523955783 /nfs/dbraw/zinc/95/57/83/523955783.db2.gz DTDUECSBFFRGKW-UHFFFAOYSA-N 1 0 278.396 2.038 10 0 CEAERO COCC[NH2+]Cc1cnc(-c2ccc(F)cc2)nc1 ZINC000054856831 523957072 /nfs/dbraw/zinc/95/70/72/523957072.db2.gz DAGBZEHEMFMWEY-UHFFFAOYSA-N 1 0 261.300 2.019 10 0 CEAERO CC[C@H](C)[NH+]1CCN(c2nc(C)cc(C)c2CO)CC1 ZINC000055069079 523962214 /nfs/dbraw/zinc/96/22/14/523962214.db2.gz UJMFDXUQWOGORF-AWEZNQCLSA-N 1 0 277.412 2.111 10 0 CEAERO CO[C@H]1CCC[C@@H]([N@@H+]2CCNC[C@@H]2Cc2ccccc2)C1 ZINC000068696724 523977246 /nfs/dbraw/zinc/97/72/46/523977246.db2.gz VBSVKEIDKBINEA-SQNIBIBYSA-N 1 0 288.435 2.461 10 0 CEAERO COC(=O)[C@](C)([NH3+])CCCCn1ncc2ccccc21 ZINC000050528467 524001097 /nfs/dbraw/zinc/00/10/97/524001097.db2.gz JAHDIYUGEBYLQR-OAHLLOKOSA-N 1 0 275.352 2.097 10 0 CEAERO COC(=O)[C@](C)([NH3+])C[C@@H](C)n1cc(-c2ccccc2)cn1 ZINC000068650130 524002467 /nfs/dbraw/zinc/00/24/67/524002467.db2.gz LBWFHIZWJSIQKD-MLGOLLRUSA-N 1 0 287.363 2.392 10 0 CEAERO COCCOCCOc1ccc(C[NH2+]CC(C)C)cc1 ZINC000052628248 524012925 /nfs/dbraw/zinc/01/29/25/524012925.db2.gz DVSWELSLYAETOE-UHFFFAOYSA-N 1 0 281.396 2.474 10 0 CEAERO CCc1ccc([C@H](CCCS(C)(=O)=O)[NH2+]C)cc1 ZINC000063016925 524048091 /nfs/dbraw/zinc/04/80/91/524048091.db2.gz CQQNAKJHZKTQMM-AWEZNQCLSA-N 1 0 269.410 2.334 10 0 CEAERO C[NH+](C)CC1CCN(c2c(F)cc(CO)cc2F)CC1 ZINC000062722203 524050225 /nfs/dbraw/zinc/05/02/25/524050225.db2.gz DXYMKXWMJFUZDE-UHFFFAOYSA-N 1 0 284.350 2.235 10 0 CEAERO CNC(=O)CCCOc1ccc(C[NH2+]CC(C)C)cc1 ZINC000068816772 524065555 /nfs/dbraw/zinc/06/55/55/524065555.db2.gz GUKHKLFHBZISGX-UHFFFAOYSA-N 1 0 278.396 2.337 10 0 CEAERO COc1ccc(C[NH2+][C@H]2C[C@@H]2C)c(OC)c1OC ZINC000052269477 524094645 /nfs/dbraw/zinc/09/46/45/524094645.db2.gz GPOLHSYXBHZSRR-ONGXEEELSA-N 1 0 251.326 2.210 10 0 CEAERO C[C@H]1CCC[C@@H](N(C)C(=O)c2ccc(NN)[nH+]c2)C1 ZINC000051095136 524142804 /nfs/dbraw/zinc/14/28/04/524142804.db2.gz YRJLCNREUVGPLP-CMPLNLGQSA-N 1 0 262.357 2.018 10 0 CEAERO Cc1cccc(C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]2)n1 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NDOYRQPLCYHOJH-RKDXNWHRSA-N 1 0 270.735 2.302 10 0 CEAERO C[C@H]([NH3+])[C@H](Sc1ncnc2[nH]cnc21)C(C)(C)C ZINC000051036260 524853185 /nfs/dbraw/zinc/85/31/85/524853185.db2.gz MVRJSZPPWULNLN-CBAPKCEASA-N 1 0 265.386 2.207 10 0 CEAERO C[C@H]([NH3+])[C@H](Sc1nnc2ccccn21)c1cccnc1 ZINC000061406457 524853637 /nfs/dbraw/zinc/85/36/37/524853637.db2.gz IMLCWOLTTCPTRQ-GWCFXTLKSA-N 1 0 285.376 2.305 10 0 CEAERO C[C@H]([NH3+])[C@H]1CCCCN1Cc1noc(-c2ccco2)n1 ZINC000063194998 524856575 /nfs/dbraw/zinc/85/65/75/524856575.db2.gz DSTBSGYCJIUNIU-WDEREUQCSA-N 1 0 276.340 2.031 10 0 CEAERO C[C@H]([NH3+])[C@](O)(c1cnc2ccccc2c1)C(F)(F)F ZINC000062784201 524861632 /nfs/dbraw/zinc/86/16/32/524861632.db2.gz QKDDWJIFYXKEIC-UFBFGSQYSA-N 1 0 270.254 2.332 10 0 CEAERO C[C@H]([NH3+])[C@](O)(c1cncc2ccccc21)C(F)(F)F ZINC000069267345 524862560 /nfs/dbraw/zinc/86/25/60/524862560.db2.gz FGGCFQILBHMWFV-UFBFGSQYSA-N 1 0 270.254 2.332 10 0 CEAERO C[C@@H](C[C@](C)([NH2+]C1CC1)C(=O)[O-])[N@@H+]1CCC[C@@H](C)CC1 ZINC000068646902 524863941 /nfs/dbraw/zinc/86/39/41/524863941.db2.gz HWKWUGGVSITHHS-WWGRRREGSA-N 1 0 282.428 2.482 10 0 CEAERO C[C@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(=O)C1CCCCCC1 ZINC000053715515 524864255 /nfs/dbraw/zinc/86/42/55/524864255.db2.gz YTUWUNOTEJYPKV-YUTCNCBUSA-N 1 0 250.386 2.166 10 0 CEAERO C[C@@H](Cc1ccsc1)[NH2+]C[C@@H](O)COC(C)(C)C ZINC000049182117 524939499 /nfs/dbraw/zinc/93/94/99/524939499.db2.gz BIFBWKQYANESTB-WCQYABFASA-N 1 0 271.426 2.445 10 0 CEAERO COc1ccc(OCCN2C[C@@H](C)[NH2+]CC2(C)C)cc1 ZINC000062670804 524958279 /nfs/dbraw/zinc/95/82/79/524958279.db2.gz FCZGYGPAPREOIY-CYBMUJFWSA-N 1 0 278.396 2.146 10 0 CEAERO C[C@H]1C[C@H]1[NH2+]Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000052287592 524963789 /nfs/dbraw/zinc/96/37/89/524963789.db2.gz LKSVYSNIZLPDTI-OIBJUYFYSA-N 1 0 263.728 2.075 10 0 CEAERO C[C@H](NC(=O)C[NH2+]C(C)(C)C)c1ccc(F)cc1 ZINC000057830929 524964564 /nfs/dbraw/zinc/96/45/64/524964564.db2.gz SLIPBZQATXOCAS-JTQLQIEISA-N 1 0 252.333 2.391 10 0 CEAERO COc1ccc(O[C@H]2CCOC2=O)c(C[NH2+]C(C)(C)C)c1 ZINC000062727556 524990849 /nfs/dbraw/zinc/99/08/49/524990849.db2.gz NTARTQMEKRYJFR-AWEZNQCLSA-N 1 0 293.363 2.278 10 0 CEAERO Cc1cc(F)ccc1NC(=O)c1cc[nH+]c(NN)c1 ZINC000051112530 524996015 /nfs/dbraw/zinc/99/60/15/524996015.db2.gz TZYUJVHOBJSEAK-UHFFFAOYSA-N 1 0 260.272 2.067 10 0 CEAERO C[C@@H](N)[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757282 525005378 /nfs/dbraw/zinc/00/53/78/525005378.db2.gz UZJRXKSJVHIYIG-BMFZPTHFSA-N 1 0 262.397 2.312 10 0 CEAERO C[C@@H]([NH3+])c1ccc(F)cc1OCCCC(=O)N(C)C ZINC000062745303 525026122 /nfs/dbraw/zinc/02/61/22/525026122.db2.gz GHXZEYSIXWPXOS-SNVBAGLBSA-N 1 0 268.332 2.093 10 0 CEAERO C[C@@H]1CN([C@@H](C[NH3+])c2cc(F)c(F)c(F)c2)C[C@H](C)O1 ZINC000062709361 525055601 /nfs/dbraw/zinc/05/56/01/525055601.db2.gz IXPANOBXWRQBCA-RWEMILLDSA-N 1 0 288.313 2.213 10 0 CEAERO Cc1ccc(NC(=O)CN[C@H](C)C[NH+]2CCCC2)cc1 ZINC000049180361 525064583 /nfs/dbraw/zinc/06/45/83/525064583.db2.gz OFINCFDVKPXMNL-CQSZACIVSA-N 1 0 275.396 2.007 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C)N1C(=O)Cc1ccccc1Cl ZINC000069133272 525096221 /nfs/dbraw/zinc/09/62/21/525096221.db2.gz PMHANHAVHRLUNO-GHMZBOCLSA-N 1 0 266.772 2.091 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C)N1C(=O)c1ccccc1Cl ZINC000069132839 525097938 /nfs/dbraw/zinc/09/79/38/525097938.db2.gz QERIZNRIJNKLFR-NXEZZACHSA-N 1 0 252.745 2.162 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C)N1CCCOc1ccc(F)cc1 ZINC000069134309 525097998 /nfs/dbraw/zinc/09/79/98/525097998.db2.gz MBAJACBPBXFBLO-CHWSQXEVSA-N 1 0 266.360 2.277 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C)N1C(=O)c1ccc(F)cc1Cl ZINC000069133203 525098094 /nfs/dbraw/zinc/09/80/94/525098094.db2.gz MTOVZFXVTKQKJL-RKDXNWHRSA-N 1 0 270.735 2.302 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H](C)N1C(=O)Cc1ccc(Cl)cc1 ZINC000069132840 525099529 /nfs/dbraw/zinc/09/95/29/525099529.db2.gz SDNGVDFHGLJAJP-PHIMTYICSA-N 1 0 266.772 2.091 10 0 CEAERO C[C@H](NC(=O)[C@@H](C)C1C[NH2+]C1)c1ccc(Cl)s1 ZINC000163991193 525127727 /nfs/dbraw/zinc/12/77/27/525127727.db2.gz GCLYXKATTCZWQT-YUMQZZPRSA-N 1 0 272.801 2.434 10 0 CEAERO C[C@](O)(c1occc1Br)[C@H]1CCC[NH2+]C1 ZINC000068981110 525186982 /nfs/dbraw/zinc/18/69/82/525186982.db2.gz XAZBSDVNDAFDCR-GZMMTYOYSA-N 1 0 274.158 2.249 10 0 CEAERO COc1ccc([C@@H]([NH3+])[C@@H]2CCCCO2)c(OC)c1OC ZINC000050962774 525190129 /nfs/dbraw/zinc/19/01/29/525190129.db2.gz ARKWOVPVBKRYLO-WCQYABFASA-N 1 0 281.352 2.281 10 0 CEAERO COc1ccc([C@@H]([NH3+])c2ncccc2C)c(OC)c1 ZINC000055232927 525192817 /nfs/dbraw/zinc/19/28/17/525192817.db2.gz KKBCAHKPUDIKFB-CQSZACIVSA-N 1 0 258.321 2.455 10 0 CEAERO COc1ccc([C@@H](O)C[NH2+][C@@H](CC(C)C)CN(C)C)cc1 ZINC000049555671 525207550 /nfs/dbraw/zinc/20/75/50/525207550.db2.gz UDROGTRLCULNCO-RDJZCZTQSA-N 1 0 294.439 2.295 10 0 CEAERO C[C@H](NC(=O)c1ccc(NN)[nH+]c1)C1CCCCC1 ZINC000052345097 525217665 /nfs/dbraw/zinc/21/76/65/525217665.db2.gz NMNNRSTUSBSHEY-JTQLQIEISA-N 1 0 262.357 2.066 10 0 CEAERO C[C@@H](NC(=O)[C@]1(C)CC[NH2+]C1)c1ccc(F)cc1 ZINC000062899283 525303255 /nfs/dbraw/zinc/30/32/55/525303255.db2.gz CZLBZGXZBMJQHI-QMTHXVAHSA-N 1 0 250.317 2.003 10 0 CEAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000052275406 525330290 /nfs/dbraw/zinc/33/02/90/525330290.db2.gz DBYNKQYDWDXUMR-UTUOFQBUSA-N 1 0 254.374 2.384 10 0 CEAERO C[C@@H]([NH2+]CC(=O)N(C)C1CC1)c1ccc(F)cc1 ZINC000049505641 525407505 /nfs/dbraw/zinc/40/75/05/525407505.db2.gz BWJDMFFYFSMAOH-SNVBAGLBSA-N 1 0 250.317 2.097 10 0 CEAERO COc1ccc([C@](C)(O)C[NH2+]CC(C)C)c(OC)c1 ZINC000055033448 525444742 /nfs/dbraw/zinc/44/47/42/525444742.db2.gz XUNXCQLGJZWYDQ-OAHLLOKOSA-N 1 0 267.369 2.157 10 0 CEAERO C[C@@H]([NH2+]CCN1CCC(C)(C)CC1)[C@@H]1CCCO1 ZINC000061823509 525446537 /nfs/dbraw/zinc/44/65/37/525446537.db2.gz MYRGTWIKBBHVRS-KGLIPLIRSA-N 1 0 254.418 2.266 10 0 CEAERO C[C@H]([NH2+]Cc1ccccc1C(F)(F)F)C(=O)NC1CC1 ZINC000061626706 525462009 /nfs/dbraw/zinc/46/20/09/525462009.db2.gz YIWZQWUONSSPAW-VIFPVBQESA-N 1 0 286.297 2.462 10 0 CEAERO Cc1ccc(O[C@H](C)C[C@@](C)([NH2+]C2CC2)C(N)=O)cc1 ZINC000068653505 525470744 /nfs/dbraw/zinc/47/07/44/525470744.db2.gz BIVJDVVDULJDRB-MLGOLLRUSA-N 1 0 276.380 2.148 10 0 CEAERO C[C@@H]1Cc2ccccc2N1CC1(C[NH3+])CCOCC1 ZINC000052180992 525532471 /nfs/dbraw/zinc/53/24/71/525532471.db2.gz OUXUQJHAQULKAE-CYBMUJFWSA-N 1 0 260.381 2.193 10 0 CEAERO C[C@@H](NS(=O)(=O)c1cccc(C[NH3+])c1)C1CCCCC1 ZINC000052341338 525578203 /nfs/dbraw/zinc/57/82/03/525578203.db2.gz JLCHBORBRONRHM-GFCCVEGCSA-N 1 0 296.436 2.392 10 0 CEAERO Cc1cc2c(n1Cc1cnc(C)cn1)CCC[C@H]2[NH3+] ZINC000061322668 525623128 /nfs/dbraw/zinc/62/31/28/525623128.db2.gz MUPQBKQVTJZRKI-CQSZACIVSA-N 1 0 256.353 2.279 10 0 CEAERO CSC[C@H](C)C[NH2+]C[C@H](O)COCCCC(C)C ZINC000069447815 525681083 /nfs/dbraw/zinc/68/10/83/525681083.db2.gz AZYJEDSSUUYPBT-KGLIPLIRSA-N 1 0 277.474 2.389 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)C[C@H]2CCC[NH2+]C2)o1 ZINC000054306677 525697929 /nfs/dbraw/zinc/69/79/29/525697929.db2.gz ZBQPQGGXYFQGLQ-VXGBXAGGSA-N 1 0 250.342 2.155 10 0 CEAERO COc1cccc(-c2nnc(CC[NH2+]C3CC3)o2)c1 ZINC000050620513 525731198 /nfs/dbraw/zinc/73/11/98/525731198.db2.gz LMDLKPMLNBOFIS-UHFFFAOYSA-N 1 0 259.309 2.040 10 0 CEAERO C[C@@](O)(C[NH2+]C[C@@H](O)c1ccccc1)c1ccccc1 ZINC000052097693 525773851 /nfs/dbraw/zinc/77/38/51/525773851.db2.gz SQXSGVCQQORSOU-IAGOWNOFSA-N 1 0 271.360 2.217 10 0 CEAERO Cc1ccc([C@@H](Sc2n[nH]c(=O)n2C(C)C)[C@H](C)[NH3+])o1 ZINC000061595172 525786071 /nfs/dbraw/zinc/78/60/71/525786071.db2.gz NOQITNUWZPHLSN-ONGXEEELSA-N 1 0 296.396 2.234 10 0 CEAERO Cc1ccc(-c2noc(CN3[C@@H](C)C[NH2+]C[C@@H]3C)n2)cc1 ZINC000069134653 525879302 /nfs/dbraw/zinc/87/93/02/525879302.db2.gz OEUZXIYFYJKCDE-STQMWFEESA-N 1 0 286.379 2.227 10 0 CEAERO Cc1ccc([C@H](C)[NH3+])c(OC[C@@H](O)C(F)(F)F)c1 ZINC000068878249 525884963 /nfs/dbraw/zinc/88/49/63/525884963.db2.gz LHXUBJJUKFWMTD-GZMMTYOYSA-N 1 0 263.259 2.317 10 0 CEAERO Cc1ccsc1[C@H](C[NH3+])Sc1n[nH]c(=O)n1C(C)C ZINC000061595238 525889398 /nfs/dbraw/zinc/88/93/98/525889398.db2.gz KFNCIGNJIFUCBG-VIFPVBQESA-N 1 0 298.437 2.314 10 0 CEAERO C[C@@]1(c2ccc3c(c2)OCCO3)C[C@H]1C[NH2+]C1CC1 ZINC000054596127 525891238 /nfs/dbraw/zinc/89/12/38/525891238.db2.gz HDGQYEQNMMRFGK-LRDDRELGSA-N 1 0 259.349 2.487 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@@H](C)C2C[NH2+]C2)c(C)c1 ZINC000164117460 525904188 /nfs/dbraw/zinc/90/41/88/525904188.db2.gz VOYLJORPSNMGBO-STQMWFEESA-N 1 0 260.381 2.336 10 0 CEAERO C[C@@H](Oc1cccc2c1CC[C@H]2[NH3+])C(=O)NC(C)(C)C ZINC000062798661 525946882 /nfs/dbraw/zinc/94/68/82/525946882.db2.gz HZWOPOFSAIGWMM-ZWNOBZJWSA-N 1 0 276.380 2.315 10 0 CEAERO COc1cccc(CN2CC[NH2+][C@@H](C3CCCCC3)C2)n1 ZINC000068693923 525948961 /nfs/dbraw/zinc/94/89/61/525948961.db2.gz LALPSXRQDHINDT-MRXNPFEDSA-N 1 0 289.423 2.444 10 0 CEAERO COc1cccc(C[NH2+]C(C)(C)C)c1OC[C@@H](C)C(N)=O ZINC000062732213 526008413 /nfs/dbraw/zinc/00/84/13/526008413.db2.gz QCOXPNUZTXLEIK-LLVKDONJSA-N 1 0 294.395 2.084 10 0 CEAERO Cc1cc(-c2nnco2)ccc1NC(=O)CC[C@@H](C)[NH3+] ZINC000070316030 526059816 /nfs/dbraw/zinc/05/98/16/526059816.db2.gz SAFSEYNBCKNVLN-SNVBAGLBSA-N 1 0 274.324 2.111 10 0 CEAERO Cc1cc(-c2nnco2)ccc1NC(=O)CC[C@H](C)[NH3+] ZINC000070316031 526060822 /nfs/dbraw/zinc/06/08/22/526060822.db2.gz SAFSEYNBCKNVLN-JTQLQIEISA-N 1 0 274.324 2.111 10 0 CEAERO COc1cccc(N(C)Cc2cccnc2C[NH3+])c1 ZINC000061656896 526132131 /nfs/dbraw/zinc/13/21/31/526132131.db2.gz RZSHFFPAMCOHHW-UHFFFAOYSA-N 1 0 257.337 2.185 10 0 CEAERO C[C@H](C(=O)c1ccc(F)cc1)N1CCC[C@@H]1C[NH+](C)C ZINC000061645704 526190783 /nfs/dbraw/zinc/19/07/83/526190783.db2.gz MVZJQZWYZOFMFI-IUODEOHRSA-N 1 0 278.371 2.423 10 0 CEAERO C[C@H](CC(N)=[NH2+])N(C)c1cccc(C(F)(F)F)n1 ZINC000063092395 526218591 /nfs/dbraw/zinc/21/85/91/526218591.db2.gz LOBNILUMKJDZRU-SSDOTTSWSA-N 1 0 260.263 2.251 10 0 CEAERO Cc1ccc(C(C)C)c(O[C@@H](C)C[C@@](C)([NH3+])C(N)=O)c1 ZINC000068655717 526248533 /nfs/dbraw/zinc/24/85/33/526248533.db2.gz OPUCRHQPHUCGIE-BLLLJJGKSA-N 1 0 278.396 2.479 10 0 CEAERO Cc1ccc(C(C)C)c(O[C@H](C)C[C@@](C)([NH3+])C(N)=O)c1 ZINC000068655718 526249792 /nfs/dbraw/zinc/24/97/92/526249792.db2.gz OPUCRHQPHUCGIE-MLGOLLRUSA-N 1 0 278.396 2.479 10 0 CEAERO C[C@H]1CCCC[C@H]1N(C)CC[NH2+]C1CCOCC1 ZINC000062767843 526261186 /nfs/dbraw/zinc/26/11/86/526261186.db2.gz MKSCFAUPRQBCLE-DZGCQCFKSA-N 1 0 254.418 2.266 10 0 CEAERO Cc1nn([C@H](C[NH3+])c2cccnc2)c(C)c1Br ZINC000050589172 526306474 /nfs/dbraw/zinc/30/64/74/526306474.db2.gz HTJYWMMCNIHNHT-LLVKDONJSA-N 1 0 295.184 2.206 10 0 CEAERO Cc1nn([C@H](C)CC(N)=[NH2+])c(C)c1Br ZINC000050593434 526306496 /nfs/dbraw/zinc/30/64/96/526306496.db2.gz TZXLRUNUTNXJQM-RXMQYKEDSA-N 1 0 259.151 2.150 10 0 CEAERO Fc1ccc(F)c(Cn2ccnc2C[NH2+]C2CC2)c1 ZINC000051014885 526349536 /nfs/dbraw/zinc/34/95/36/526349536.db2.gz DATDTSAKMYNDAP-UHFFFAOYSA-N 1 0 263.291 2.462 10 0 CEAERO Cc1csc(CNCC[C@H]2CCCC[N@H+]2C)n1 ZINC000052205738 526356094 /nfs/dbraw/zinc/35/60/94/526356094.db2.gz QKIGVDWABMVKKR-GFCCVEGCSA-N 1 0 253.415 2.416 10 0 CEAERO S=C1N=NC(C2CC2)N1[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000049569245 526389632 /nfs/dbraw/zinc/38/96/32/526389632.db2.gz ROWVWDBBCFKATK-WDEREUQCSA-N 1 0 264.398 2.244 10 0 CEAERO Fc1cccc(OCC[NH2+]C[C@H]2CCCO2)c1F ZINC000062655137 526397827 /nfs/dbraw/zinc/39/78/27/526397827.db2.gz NOVZUQPOBCHXFN-SNVBAGLBSA-N 1 0 257.280 2.112 10 0 CEAERO O=C(OCc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC000049840274 526425732 /nfs/dbraw/zinc/42/57/32/526425732.db2.gz HVXHMPHCCQAJHA-LLVKDONJSA-N 1 0 253.729 2.383 10 0 CEAERO c1ccc(C[C@@H]2C[NH2+]CCN2Cc2ccccn2)cc1 ZINC000068696700 526476878 /nfs/dbraw/zinc/47/68/78/526476878.db2.gz UOHNPFGGTJAICX-QGZVFWFLSA-N 1 0 267.376 2.098 10 0 CEAERO c1csc(-c2ccc(N3CCC[NH2+]CC3)nn2)c1 ZINC000062203429 526571631 /nfs/dbraw/zinc/57/16/31/526571631.db2.gz MJJRKWYTAPNMBW-UHFFFAOYSA-N 1 0 260.366 2.005 10 0 CEAERO c1nc(N2CCO[C@@H]3CCC[C@@H]32)sc1C[NH2+]C1CC1 ZINC000054907060 526602290 /nfs/dbraw/zinc/60/22/90/526602290.db2.gz BLIYGAKMIPGVBZ-QWHCGFSZSA-N 1 0 279.409 2.153 10 0 CEAERO O=C(c1cc(F)ccc1F)N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051358538 526621879 /nfs/dbraw/zinc/62/18/79/526621879.db2.gz IWKBTSBPIWBNEQ-UONOGXRCSA-N 1 0 280.318 2.321 10 0 CEAERO Cc1nc(C)n([C@@H](C[NH2+]C2CC2)c2ccccc2)n1 ZINC000052574535 526765093 /nfs/dbraw/zinc/76/50/93/526765093.db2.gz PNFFZCCNKVCRJA-HNNXBMFYSA-N 1 0 256.353 2.236 10 0 CEAERO Cc1oc(C[NH3+])cc1Cn1cc(Br)cn1 ZINC000052577507 526770823 /nfs/dbraw/zinc/77/08/23/526770823.db2.gz ZJIIUADYTWXKSB-UHFFFAOYSA-N 1 0 270.130 2.054 10 0 CEAERO Cc1oc(C[NH2+]C(C)C)cc1CN1CCO[C@@H](C)C1 ZINC000052382714 526775000 /nfs/dbraw/zinc/77/50/00/526775000.db2.gz WLWLBDMUXBYENU-LBPRGKRZSA-N 1 0 266.385 2.307 10 0 CEAERO NC(=[NH2+])c1ccc(OC[C@@H]2CCCO2)cc1Cl ZINC000061856868 526823439 /nfs/dbraw/zinc/82/34/39/526823439.db2.gz KPVHRZPNJXABMK-VIFPVBQESA-N 1 0 254.717 2.182 10 0 CEAERO Cc1nc(CN(C)C(=O)c2ccc3c(c2)C[NH2+]C3)cs1 ZINC000156745510 526838099 /nfs/dbraw/zinc/83/80/99/526838099.db2.gz MLSMOBRBBPPCLJ-UHFFFAOYSA-N 1 0 287.388 2.327 10 0 CEAERO Cc1nc(Cl)cc(N[C@@H](C)C[NH+]2CCCC2)n1 ZINC000052836704 526934420 /nfs/dbraw/zinc/93/44/20/526934420.db2.gz QUKIDJXEXHPFLN-VIFPVBQESA-N 1 0 254.765 2.335 10 0 CEAERO NC(=O)[C@@H](CCc1ccccc1)[NH2+]C1CCCCC1 ZINC000061625374 526953026 /nfs/dbraw/zinc/95/30/26/526953026.db2.gz UNXJJXWBIAGASJ-OAHLLOKOSA-N 1 0 260.381 2.395 10 0 CEAERO Cc1nc(N2CCCSCC2)sc1[C@@H](C)[NH3+] ZINC000054898637 526965157 /nfs/dbraw/zinc/96/51/57/526965157.db2.gz UHKVQPVTEILQIU-MRVPVSSYSA-N 1 0 257.428 2.415 10 0 CEAERO Cc1nc(N2CCO[C@H]3CCC[C@@H]32)sc1C[NH2+]C1CC1 ZINC000054999070 526972528 /nfs/dbraw/zinc/97/25/28/526972528.db2.gz JJDPXDJAZDYEHV-STQMWFEESA-N 1 0 293.436 2.461 10 0 CEAERO O=C(N[C@H]1CCCC[NH2+]C1)c1cc2ccccc2[nH]1 ZINC000070120054 527021033 /nfs/dbraw/zinc/02/10/33/527021033.db2.gz CBKMPMTYXMOSRA-LBPRGKRZSA-N 1 0 257.337 2.040 10 0 CEAERO NC(=S)c1c(Cl)cccc1OCC[NH+]1CCCC1 ZINC000052908531 527113310 /nfs/dbraw/zinc/11/33/10/527113310.db2.gz ZNWLSQSDTCWFCG-UHFFFAOYSA-N 1 0 284.812 2.449 10 0 CEAERO [NH3+]C1CCC(CCC(=O)N2CCO[C@@H]3CCC[C@H]32)CC1 ZINC000055137667 527139292 /nfs/dbraw/zinc/13/92/92/527139292.db2.gz IHOVKRVEQLEAQV-NEXFUWMNSA-N 1 0 280.412 2.064 10 0 CEAERO Cc1nc2ccccc2n(CC[NH2+]C(C)(C)C)c1=O ZINC000052099158 527162392 /nfs/dbraw/zinc/16/23/92/527162392.db2.gz ZBLOKNMTFGEWPM-UHFFFAOYSA-N 1 0 259.353 2.093 10 0 CEAERO [NH3+]CCN(c1ncnc2sccc21)C1CCCC1 ZINC000053706179 527185748 /nfs/dbraw/zinc/18/57/48/527185748.db2.gz UHQOWLBADNFMCY-UHFFFAOYSA-N 1 0 262.382 2.399 10 0 CEAERO [NH3+]CCc1ccnc(Cc2ccccc2Br)n1 ZINC000055336095 527197986 /nfs/dbraw/zinc/19/79/86/527197986.db2.gz WPRWSARMUPKTJW-UHFFFAOYSA-N 1 0 292.180 2.331 10 0 CEAERO [NH3+]CCc1cnc(C23CC4CC(CC(C4)C2)C3)nc1 ZINC000055270853 527198021 /nfs/dbraw/zinc/19/80/21/527198021.db2.gz QQXZQFSPZNKIQA-UHFFFAOYSA-N 1 0 257.381 2.446 10 0 CEAERO [NH3+]C[C@@H](Sc1ncnc2[nH]cnc21)c1ccccc1 ZINC000051036184 527206700 /nfs/dbraw/zinc/20/67/00/527206700.db2.gz KDHZAGVOLJWNLX-SNVBAGLBSA-N 1 0 271.349 2.145 10 0 CEAERO [NH3+]C[C@@H](c1cccc(F)c1)N1CCC[C@@H]1CCCO ZINC000052757443 527208306 /nfs/dbraw/zinc/20/83/06/527208306.db2.gz GCQSIAAJJDSPLO-CABCVRRESA-N 1 0 266.360 2.062 10 0 CEAERO Cn1cc(C[NH2+][C@@H]2CCCC[C@H]2C(F)(F)F)nn1 ZINC000054860062 527221686 /nfs/dbraw/zinc/22/16/86/527221686.db2.gz JPXVSNIZHRLPJR-NXEZZACHSA-N 1 0 262.279 2.026 10 0 CEAERO [NH3+]C[C@H](Oc1cc(F)cc(F)c1)c1ccncc1 ZINC000054932483 527229072 /nfs/dbraw/zinc/22/90/72/527229072.db2.gz DGFGLJOKRNOSQW-ZDUSSCGKSA-N 1 0 250.248 2.439 10 0 CEAERO Cn1cc(C[C@H]([NH3+])c2ccc(F)c(Cl)c2)cn1 ZINC000062792081 527232592 /nfs/dbraw/zinc/23/25/92/527232592.db2.gz LFZOYEBBLHJWSH-LBPRGKRZSA-N 1 0 253.708 2.455 10 0 CEAERO [NH3+]Cc1cc(Br)cnc1-n1ccc(C2CC2)n1 ZINC000052885206 527244595 /nfs/dbraw/zinc/24/45/95/527244595.db2.gz XBGDQPJOLMJKJN-UHFFFAOYSA-N 1 0 293.168 2.366 10 0 CEAERO [NH3+]Cc1cc(CN2C(=O)CCc3ccc(F)cc32)ccn1 ZINC000068750927 527247988 /nfs/dbraw/zinc/24/79/88/527247988.db2.gz IYUKJLFJQGFPHG-UHFFFAOYSA-N 1 0 285.322 2.159 10 0 CEAERO [NH3+]Cc1cc(Cn2cc(-c3ccccc3)cn2)on1 ZINC000054962055 527248557 /nfs/dbraw/zinc/24/85/57/527248557.db2.gz GJFCWTXBBBTDFI-UHFFFAOYSA-N 1 0 254.293 2.045 10 0 CEAERO [NH3+]Cc1cccc(Br)c1OC1CCOCC1 ZINC000068955213 527259069 /nfs/dbraw/zinc/25/90/69/527259069.db2.gz MLHYZSNGWOZEAS-UHFFFAOYSA-N 1 0 286.169 2.466 10 0 CEAERO [NH3+]Cc1coc(CN2CCN(c3ccc(F)cc3)CC2)c1 ZINC000052418218 527264642 /nfs/dbraw/zinc/26/46/42/527264642.db2.gz DUDLWBKMUSKHHA-UHFFFAOYSA-N 1 0 289.354 2.200 10 0 CEAERO [NH3+]Cc1sc2cccc(F)c2c1CN1CCOCC1 ZINC000052377809 527268869 /nfs/dbraw/zinc/26/88/69/527268869.db2.gz OFLBHSGTJXDIGA-UHFFFAOYSA-N 1 0 280.368 2.331 10 0 CEAERO Cc1ncc(C[NH2+]C[C@@H]2CNc3ccccc3O2)s1 ZINC000049538900 527269990 /nfs/dbraw/zinc/26/99/90/527269990.db2.gz ZUUFFKNZESQBTG-LLVKDONJSA-N 1 0 275.377 2.414 10 0 CEAERO NNc1ccc(Cn2cc(-c3ccccc3)cn2)c[nH+]1 ZINC000054961980 527281772 /nfs/dbraw/zinc/28/17/72/527281772.db2.gz PTVAEUHHCFHKIB-UHFFFAOYSA-N 1 0 265.320 2.279 10 0 CEAERO [NH3+][C@@H](c1ccc2c(c1)CCCC(=O)N2)C1CCOCC1 ZINC000061671533 527339193 /nfs/dbraw/zinc/33/91/93/527339193.db2.gz PFWUSJNENJMRAD-MRXNPFEDSA-N 1 0 274.364 2.388 10 0 CEAERO Cc1nccc(N2CCC[C@@H](C[NH2+]CC(C)C)C2)n1 ZINC000054937670 527344393 /nfs/dbraw/zinc/34/43/93/527344393.db2.gz XXKHABBCJAORCL-AWEZNQCLSA-N 1 0 262.401 2.247 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1NC(=O)C1(c2ccccc2)CC1 ZINC000061618347 527344539 /nfs/dbraw/zinc/34/45/39/527344539.db2.gz IUINPOUBMHDYKJ-ZIAGYGMSSA-N 1 0 258.365 2.104 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](c2nc(COc3ccccc3F)no2)C1 ZINC000262120635 527366353 /nfs/dbraw/zinc/36/63/53/527366353.db2.gz XHUDUZRBVISNAK-NXEZZACHSA-N 1 0 277.299 2.383 10 0 CEAERO [NH3+][C@@H]1CCc2c1cccc2OCC(=O)N1CCCCC1 ZINC000062798845 527371957 /nfs/dbraw/zinc/37/19/57/527371957.db2.gz RBCNHUCRFZEOFL-CQSZACIVSA-N 1 0 274.364 2.024 10 0 CEAERO [NH3+][C@H]1CCc2c1cccc2OCC(=O)N1CCCCCC1 ZINC000062798850 527416700 /nfs/dbraw/zinc/41/67/00/527416700.db2.gz WOWLVVLKTXCZKA-HNNXBMFYSA-N 1 0 288.391 2.414 10 0 CEAERO Cc1ncsc1CC[NH2+][C@H](CO)Cc1ccccc1 ZINC000063219354 527489971 /nfs/dbraw/zinc/48/99/71/527489971.db2.gz XUBWQRLRXJLSME-AWEZNQCLSA-N 1 0 276.405 2.187 10 0 CEAERO Cn1cnnc1Sc1ccc(Cl)cc1C[NH3+] ZINC000052858711 527529588 /nfs/dbraw/zinc/52/95/88/527529588.db2.gz WMMVYELAFOJNRG-UHFFFAOYSA-N 1 0 254.746 2.078 10 0 CEAERO Cc1nn(C)c(-n2ccc(C(C)C)n2)c1C[NH2+]C1CC1 ZINC000052884887 527596788 /nfs/dbraw/zinc/59/67/88/527596788.db2.gz IPEGNKFYHUNXNW-UHFFFAOYSA-N 1 0 273.384 2.290 10 0 CEAERO OC[C@H]([NH2+]C[C@@H]1CCCO1)c1cccc2cccnc21 ZINC000069504729 527608966 /nfs/dbraw/zinc/60/89/66/527608966.db2.gz WFQURJXNJXWUQF-ZFWWWQNUSA-N 1 0 272.348 2.037 10 0 CEAERO O[C@@H]1CCCN(c2ccc(F)cc2C[NH2+]C2CC2)C1 ZINC000048965635 527670622 /nfs/dbraw/zinc/67/06/22/527670622.db2.gz XKDRTDVNKCQLOA-CQSZACIVSA-N 1 0 264.344 2.039 10 0 CEAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2cc(F)c(F)c(F)c2)C1 ZINC000062707715 527672037 /nfs/dbraw/zinc/67/20/37/527672037.db2.gz KEABKHNERXOYEJ-NXEZZACHSA-N 1 0 259.271 2.497 10 0 CEAERO FC(F)(F)Oc1cccc(N2CCC[NH2+]CC2)c1 ZINC000061703128 527675304 /nfs/dbraw/zinc/67/53/04/527675304.db2.gz KXLJPCJOYDHEPV-UHFFFAOYSA-N 1 0 260.259 2.385 10 0 CEAERO O[C@@H]1c2ccccc2OC[C@@H]1[NH+]1Cc2ccccc2C1 ZINC000050912090 527680597 /nfs/dbraw/zinc/68/05/97/527680597.db2.gz IFCFEQWAZLKUFI-DOTOQJQBSA-N 1 0 267.328 2.497 10 0 CEAERO CCCC(O)(CCC)CC(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000178517307 528009737 /nfs/dbraw/zinc/00/97/37/528009737.db2.gz WPPJPJBHCDFWSR-CQSZACIVSA-N 1 0 284.444 2.308 10 0 CEAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCC(=O)N1CCOCC1 ZINC000159271315 528706231 /nfs/dbraw/zinc/70/62/31/528706231.db2.gz OLMBVRNLJKARAI-OWCLPIDISA-N 1 0 296.455 2.286 10 0 CEAERO CCN(Cc1ccccn1)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000176439977 528845358 /nfs/dbraw/zinc/84/53/58/528845358.db2.gz WGCRCFYCGSZFSD-HNNXBMFYSA-N 1 0 290.411 2.097 10 0 CEAERO CCCCc1noc(CN(C)C[C@H]2CCC[N@@H+]2CC)n1 ZINC000175354598 529054335 /nfs/dbraw/zinc/05/43/35/529054335.db2.gz GIRAKUKJJGKQQF-CYBMUJFWSA-N 1 0 280.416 2.328 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@@H](C)C2(C)CC2)C1 ZINC000176440020 529087331 /nfs/dbraw/zinc/08/73/31/529087331.db2.gz INIUEDUJLPHQJJ-STQMWFEESA-N 1 0 267.417 2.301 10 0 CEAERO CCC[C@@H](C[NH3+])CN1CCN(c2ccccc2OC)CC1 ZINC000087535275 535341561 /nfs/dbraw/zinc/34/15/61/535341561.db2.gz ATTMHQHTUROFAS-HNNXBMFYSA-N 1 0 291.439 2.192 10 0 CEAERO C[NH2+][C@H]1CCC[C@H]1CCN1c2ccccc2OCC1=O ZINC000093556642 536416094 /nfs/dbraw/zinc/41/60/94/536416094.db2.gz XXXKVJFZLDMWEF-STQMWFEESA-N 1 0 274.364 2.190 10 0 CEAERO COc1ccc2c(c1)CCCN2C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089459864 536969631 /nfs/dbraw/zinc/96/96/31/536969631.db2.gz ZOVUYBXBECIUEW-ZFWWWQNUSA-N 1 0 288.391 2.349 10 0 CEAERO CC(C)(C)[NH2+]C[C@@H](O)COc1cccc2c1CCC[C@H]2O ZINC000005353232 560201399 /nfs/dbraw/zinc/20/13/99/560201399.db2.gz LGXDICLRWHYEIS-IUODEOHRSA-N 1 0 293.407 2.184 10 0 in-vitro CEAERO Brc1ccc(-c2cnn3c2C[NH2+]CC3)cc1 ZINC000675079579 574511802 /nfs/dbraw/zinc/51/18/02/574511802.db2.gz IMHZKOPUXXFILD-UHFFFAOYSA-N 1 0 278.153 2.416 10 0 CEAERO Cc1cccc(CN2CC[C@@H]2C[NH3+])c1Br ZINC000757140456 574510221 /nfs/dbraw/zinc/51/02/21/574510221.db2.gz BUFQWHCTEWIZLC-LLVKDONJSA-N 1 0 269.186 2.291 10 0 CEAERO CC1(C)CC2(CC(C)(C)[NH2+]1)NC[C@@H]1CCC[C@H]1O2 ZINC000757146211 574510411 /nfs/dbraw/zinc/51/04/11/574510411.db2.gz RGVOEHIUHASSRE-NWDGAFQWSA-N 1 0 252.402 2.412 10 0 CEAERO CCOC(=O)[C@H]1CC[C@H](c2ccc(C=O)s2)[NH2+]C1 ZINC000757216532 574513341 /nfs/dbraw/zinc/51/33/41/574513341.db2.gz QDUUQDQYQJXYGE-GXSJLCMTSA-N 1 0 267.350 2.164 10 0 CEAERO CC(C)(C)OC(=O)CCc1nc(C2([NH3+])CC(C)(C)C2)no1 ZINC000757181654 574511485 /nfs/dbraw/zinc/51/14/85/574511485.db2.gz CQLQGVNTBBHIGM-UHFFFAOYSA-N 1 0 295.383 2.318 10 0 CEAERO Cc1ccc([C@@H]2C[NH2+]C[C@]2(C)N)cc1Br ZINC000685965572 574823721 /nfs/dbraw/zinc/82/37/21/574823721.db2.gz JWYXLPAMSBTHSV-JQWIXIFHSA-N 1 0 269.186 2.162 10 0 CEAERO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCN(CCO)C2)C1 ZINC000384681629 574842068 /nfs/dbraw/zinc/84/20/68/574842068.db2.gz GJNUSHULOJNINW-PMPSAXMXSA-N 1 0 268.445 2.248 10 0 CEAERO CC(C)(C)c1cn([C@@H]2CCOC3(CC[NH2+]CC3)C2)nn1 ZINC000725272036 567924988 /nfs/dbraw/zinc/92/49/88/567924988.db2.gz FWVNBKWMLYDGIB-GFCCVEGCSA-N 1 0 278.400 2.049 10 0 CEAERO Nc1[nH+]ccn1Cc1ccc(F)c(Br)c1 ZINC000037483207 570248444 /nfs/dbraw/zinc/24/84/44/570248444.db2.gz WMBXXZHDLYIFEL-UHFFFAOYSA-N 1 0 270.105 2.415 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1ccc(Cl)cc1F ZINC000261564187 623379721 /nfs/dbraw/zinc/37/97/21/623379721.db2.gz XOOJPQOTFVCGNI-WRWORJQWSA-N 1 0 256.708 2.041 10 0 CEAERO C[C@@H]1C[C@@H]1NC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261853416 623492997 /nfs/dbraw/zinc/49/29/97/623492997.db2.gz WABJRZCBDBOSGT-WLTAIBSBSA-N 1 0 297.196 2.148 10 0 CEAERO C[C@@H]([NH2+]Cc1cscc1Br)[C@H](C)O ZINC000308260701 623636962 /nfs/dbraw/zinc/63/69/62/623636962.db2.gz NENDLTFXGGDBSK-RQJHMYQMSA-N 1 0 264.188 2.370 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(F)cc1 ZINC000061884362 623694902 /nfs/dbraw/zinc/69/49/02/623694902.db2.gz UVMXTVXUIVGHTJ-JOYOIKCWSA-N 1 0 251.305 2.075 10 0 CEAERO CCn1cnnc1[C@@H]1CCC[N@H+](C/C=C\Cl)C1 ZINC000255381032 623877327 /nfs/dbraw/zinc/87/73/27/623877327.db2.gz QBHNOEQJGAKSBK-VLWUPBBWSA-N 1 0 254.765 2.230 10 0 CEAERO CC(C)NC(=O)[C@@H](C[NH3+])Cc1cccc2ccccc21 ZINC000050304189 624638697 /nfs/dbraw/zinc/63/86/97/624638697.db2.gz XQGXCBQKGISIHJ-OAHLLOKOSA-N 1 0 270.376 2.482 10 0 CEAERO CC(C)[C@@H]1CCCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091545208 624771017 /nfs/dbraw/zinc/77/10/17/624771017.db2.gz JMOCPFFKAYOXQS-RDBSUJKOSA-N 1 0 252.402 2.399 10 0 CEAERO CN(C(=O)/C=C\c1cccs1)[C@@H]1CCC[NH2+]CC1 ZINC000310642809 625758455 /nfs/dbraw/zinc/75/84/55/625758455.db2.gz DMUWSQBNJKFTQN-ZHRWSRJISA-N 1 0 264.394 2.362 10 0 CEAERO [NH3+]CCCCCCNc1nnc(C(F)(F)F)s1 ZINC000236171414 625902948 /nfs/dbraw/zinc/90/29/48/625902948.db2.gz LJYGNEKGUUIYAQ-UHFFFAOYSA-N 1 0 268.308 2.488 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cccc(Cl)c1F ZINC000229586003 627275569 /nfs/dbraw/zinc/27/55/69/627275569.db2.gz LFHSOJVBKOJUIL-GZMMTYOYSA-N 1 0 270.735 2.349 10 0 CEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(F)c(C)c1 ZINC000166587872 627642341 /nfs/dbraw/zinc/64/23/41/627642341.db2.gz KTVJYXOGAMHXHZ-VXGBXAGGSA-N 1 0 251.301 2.000 10 0 CEAERO c1cc(-c2noc([C@@H]3CC[NH2+]C3)n2)cc2c1CCC2 ZINC000311471066 627666012 /nfs/dbraw/zinc/66/60/12/627666012.db2.gz YHMKIPZUZPPDKU-CYBMUJFWSA-N 1 0 255.321 2.302 10 0 CEAERO CC(=O)[C@H]1CCCN(CC(=O)Nc2ccccc2C)C1 ZINC000111689989 627827312 /nfs/dbraw/zinc/82/73/12/627827312.db2.gz IGXWFDZUCDDRHZ-AWEZNQCLSA-N 1 0 274.364 2.235 10 0 CEAERO FC(F)(F)[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCO2)CCO1 ZINC000310617985 628307497 /nfs/dbraw/zinc/30/74/97/628307497.db2.gz ATOUCMQIUSOFMS-DCAQKATOSA-N 1 0 267.291 2.255 10 0 CEAERO COCC1(c2noc([C@H]3CCC[C@H]3C[NH3+])n2)CCCC1 ZINC000312929166 628564084 /nfs/dbraw/zinc/56/40/84/628564084.db2.gz NKVGDKBKIGNASF-RYUDHWBXSA-N 1 0 279.384 2.370 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(Cl)nc2C)C1 ZINC000178535644 628852304 /nfs/dbraw/zinc/85/23/04/628852304.db2.gz ONFDKHPMEDNNMK-NSHDSACASA-N 1 0 281.787 2.258 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000261579396 628941475 /nfs/dbraw/zinc/94/14/75/628941475.db2.gz DUNZICPIRIPQFT-GZMMTYOYSA-N 1 0 272.270 2.267 10 0 CEAERO Cc1ccc(NC(=O)CC[C@H]2CCC[NH2+]2)c(C)c1O ZINC000261587224 628941760 /nfs/dbraw/zinc/94/17/60/628941760.db2.gz JJDLGCAJANUMDP-GFCCVEGCSA-N 1 0 262.353 2.480 10 0 CEAERO CS[C@@H]1CCC[C@H](NC(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000261593462 628942813 /nfs/dbraw/zinc/94/28/13/628942813.db2.gz ZDFWBUDDHKFYFY-FRRDWIJNSA-N 1 0 270.442 2.309 10 0 CEAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000233309970 628952814 /nfs/dbraw/zinc/95/28/14/628952814.db2.gz YJIOXNJTTWMHHA-MGPQQGTHSA-N 1 0 253.386 2.493 10 0 CEAERO CC(C)[C@H](C)NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000251277792 628955388 /nfs/dbraw/zinc/95/53/88/628955388.db2.gz CUZOPYWIAAMGES-CRWXNKLISA-N 1 0 252.402 2.458 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1Cc1cc(F)cc2cccnc21 ZINC000261649615 628960449 /nfs/dbraw/zinc/96/04/49/628960449.db2.gz YBTZBBILFOXOQP-IINYFYTJSA-N 1 0 259.328 2.295 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)c1ccc(F)c(CSC)c1 ZINC000261753808 629183991 /nfs/dbraw/zinc/18/39/91/629183991.db2.gz NRAIKSVIXQPISH-VIFPVBQESA-N 1 0 270.373 2.026 10 0 CEAERO CC(C)(C)c1ccnc(N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)n1 ZINC000261818564 629255230 /nfs/dbraw/zinc/25/52/30/629255230.db2.gz TUOQSOSDEHONKL-AVGNSLFASA-N 1 0 274.412 2.338 10 0 CEAERO Cc1nc([C@@H](C)NC(=O)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000261990457 629413405 /nfs/dbraw/zinc/41/34/05/629413405.db2.gz YBSDWCDPQUKGSW-KOLCDFICSA-N 1 0 279.409 2.018 10 0 CEAERO CCC(CC)(C[NH3+])C(=O)N[C@H](C)COCc1ccccc1 ZINC000262073515 629694263 /nfs/dbraw/zinc/69/42/63/629694263.db2.gz WZOIDEYDVNXYMZ-CQSZACIVSA-N 1 0 292.423 2.473 10 0 CEAERO C[NH+](C)CCNc1ncc2cc(Br)ccc2n1 ZINC000141609695 629909106 /nfs/dbraw/zinc/90/91/06/629909106.db2.gz XNJIBHCLUIYMAD-UHFFFAOYSA-N 1 0 295.184 2.366 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1Nc1ccc(OC(F)F)cn1 ZINC000262278520 630598340 /nfs/dbraw/zinc/59/83/40/630598340.db2.gz UIGSJIQNWZYEMX-PSASIEDQSA-N 1 0 257.284 2.235 10 0 CEAERO C[C@H]([NH2+]CC(=O)N1CCO[C@H](C)C1)c1cccc(Cl)c1 ZINC000192478973 631718357 /nfs/dbraw/zinc/71/83/57/631718357.db2.gz NMSKLGMFWKSIRL-NEPJUHHUSA-N 1 0 296.798 2.238 10 0 CEAERO O=C(CCC1CCCC1)N[C@H]1C[NH+]2CCC1CC2 ZINC000222585153 639383144 /nfs/dbraw/zinc/38/31/44/639383144.db2.gz NNOLJZFSVWMRBT-AWEZNQCLSA-N 1 0 250.386 2.167 10 0 CEAERO CO[C@@H](c1noc(-c2cccc(C[NH3+])c2)n1)C1CC1 ZINC000227331834 639585040 /nfs/dbraw/zinc/58/50/40/639585040.db2.gz NGFFIIQQOJNGEV-GFCCVEGCSA-N 1 0 259.309 2.293 10 0 CEAERO Cc1cc2c(ncnc2N2CC[C@H]([C@H](C)[NH3+])C2)s1 ZINC000228164355 639623174 /nfs/dbraw/zinc/62/31/74/639623174.db2.gz UVWMMLKIAHZUHC-UWVGGRQHSA-N 1 0 262.382 2.173 10 0 CEAERO C[C@@H]1COC[C@H](C)[N@H+]1C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000172833097 639804983 /nfs/dbraw/zinc/80/49/83/639804983.db2.gz HRFUKYWTBGVHGO-HZSPNIEDSA-N 1 0 298.427 2.353 10 0 CEAERO c1cc(-c2nc(C[C@@H]3CCC[NH2+]C3)no2)cc2c1OCC2 ZINC000063084406 639821916 /nfs/dbraw/zinc/82/19/16/639821916.db2.gz COLGUMNAKONUIR-NSHDSACASA-N 1 0 285.347 2.214 10 0 CEAERO C[C@@H](NC(=O)[C@H]([NH3+])CC1CC1)c1ccc(F)c(F)c1 ZINC000312028133 639992307 /nfs/dbraw/zinc/99/23/07/639992307.db2.gz XCODPNLELZARDM-AMIZOPFISA-N 1 0 268.307 2.269 10 0 CEAERO Cc1nn(C)c(C[NH2+][C@@H](C)[C@H]2CCCO2)c1Cl ZINC000089231856 640195721 /nfs/dbraw/zinc/19/57/21/640195721.db2.gz BGFGNQCDTHBIFQ-GZMMTYOYSA-N 1 0 257.765 2.039 10 0 CEAERO C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000313535457 640221238 /nfs/dbraw/zinc/22/12/38/640221238.db2.gz QGBWENJTIFGAMZ-YIDRHRTLSA-N 1 0 276.424 2.458 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1c1nc([C@@H]2CCCOC2)no1 ZINC000089383718 640358794 /nfs/dbraw/zinc/35/87/94/640358794.db2.gz WVXOHOXAPLEFMW-QJPTWQEYSA-N 1 0 265.357 2.196 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@H]1c1nc(Cc2ccncc2)no1 ZINC000089383577 640359831 /nfs/dbraw/zinc/35/98/31/640359831.db2.gz QMXXUPDQYCIKOL-CHWSQXEVSA-N 1 0 272.352 2.288 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@@H]1C(=O)NCCc1cccs1 ZINC000089386540 640360199 /nfs/dbraw/zinc/36/01/99/640360199.db2.gz ITWFOORXWPJABV-YPMHNXCESA-N 1 0 266.410 2.172 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@H]1C(=O)N1CCc2sccc2C1 ZINC000089385551 640360905 /nfs/dbraw/zinc/36/09/05/640360905.db2.gz RFIIAUYYSXFQBB-DGCLKSJQSA-N 1 0 278.421 2.398 10 0 CEAERO Cc1cccc(C)c1CCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000237624933 641362166 /nfs/dbraw/zinc/36/21/66/641362166.db2.gz VHSWKCAOWREQLL-LSDHHAIUSA-N 1 0 274.408 2.480 10 0 CEAERO C[C@@H](Nc1nccc(C(F)(F)F)n1)[C@H]1CCC[NH2+]C1 ZINC000081586892 641912292 /nfs/dbraw/zinc/91/22/92/641912292.db2.gz PMHDKQXKJLJDMC-BDAKNGLRSA-N 1 0 274.290 2.295 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1Nc1ccc(Br)cn1 ZINC000084212696 642314651 /nfs/dbraw/zinc/31/46/51/642314651.db2.gz SWXXZILDCWPQBZ-WPRPVWTQSA-N 1 0 270.174 2.383 10 0 CEAERO CC1(C)CC[C@H](CNc2ncc(Br)cn2)[NH2+]C1 ZINC000137329222 643326728 /nfs/dbraw/zinc/32/67/28/643326728.db2.gz HZRCUXRZPDQDHK-SNVBAGLBSA-N 1 0 299.216 2.429 10 0 CEAERO CCc1ccc([C@@H](C)NC(=O)COC2CC[NH2+]CC2)cc1 ZINC000111795609 643958930 /nfs/dbraw/zinc/95/89/30/643958930.db2.gz AOSYTZGRAFDYDI-CYBMUJFWSA-N 1 0 290.407 2.195 10 0 CEAERO CCc1ccc([C@@H](C)[NH2+]C[C@H]2CCCS2(=O)=O)cc1 ZINC000126970574 651039660 /nfs/dbraw/zinc/03/96/60/651039660.db2.gz VLOWJDVXZZZWED-IUODEOHRSA-N 1 0 281.421 2.477 10 0 CEAERO Cc1nc(C[NH2+][C@@H]2CCCC[C@H]2CO)sc1C ZINC000125016715 649778085 /nfs/dbraw/zinc/77/80/85/649778085.db2.gz FBPPLSRFGAXFRN-NWDGAFQWSA-N 1 0 254.399 2.401 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(F)c(Cl)c1 ZINC000212935466 652217300 /nfs/dbraw/zinc/21/73/00/652217300.db2.gz UWJREFGAXPFDDI-CABZTGNLSA-N 1 0 270.735 2.336 10 0 CEAERO Cc1cnc(=S)n(CN2CCC[C@@H]2c2cnn(C)c2)c1 ZINC000132394781 652517855 /nfs/dbraw/zinc/51/78/55/652517855.db2.gz GENPBLLJFZFQHH-CYBMUJFWSA-N 1 0 289.408 2.449 10 0 CEAERO OCc1ccc(C[NH2+][C@H]2COc3ccccc32)cc1 ZINC000133086754 652598183 /nfs/dbraw/zinc/59/81/83/652598183.db2.gz QPOFOSLMASYRCK-HNNXBMFYSA-N 1 0 255.317 2.402 10 0 CEAERO O=C(N1CC[C@H]([NH+]2CCCCC2)C1)N1CCCCC1 ZINC000134464687 652842784 /nfs/dbraw/zinc/84/27/84/652842784.db2.gz JDANUERESZKNGB-AWEZNQCLSA-N 1 0 265.401 2.153 10 0 CEAERO Fc1ccc(C[N+]23CCN(CC2)CC3)cc1Cl ZINC000188631484 717157531 /nfs/dbraw/zinc/15/75/31/717157531.db2.gz KOVJNUJFSWMQCI-UHFFFAOYSA-N 1 0 255.744 2.125 10 0 CEAERO COCCCS(=O)(=O)C[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000081985189 177912625 /nfs/dbraw/zinc/91/26/25/177912625.db2.gz BBIFOICQRJDYLB-HNNXBMFYSA-N 1 0 299.436 2.261 10 0 CEAERO Nc1cc[nH+]cc1C(=O)NCc1ccc(F)c(Cl)c1 ZINC000127628653 187321726 /nfs/dbraw/zinc/32/17/26/187321726.db2.gz XHUPBVHBJKYJPS-UHFFFAOYSA-N 1 0 279.702 2.386 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1cnccn1)C(F)(F)F ZINC000082433243 178010360 /nfs/dbraw/zinc/01/03/60/178010360.db2.gz GGWCNYPHMGEXQO-SVRRBLITSA-N 1 0 251.277 2.237 10 0 CEAERO FC1(F)CCC[C@H]1C[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000336265862 365540433 /nfs/dbraw/zinc/54/04/33/365540433.db2.gz ZLKAVAOTLWUUKL-STQMWFEESA-N 1 0 275.339 2.303 10 0 CEAERO Cc1nccn1-c1cc(Br)ccc1CC[NH3+] ZINC000082612048 178125898 /nfs/dbraw/zinc/12/58/98/178125898.db2.gz GXVPDTARQMNOKL-UHFFFAOYSA-N 1 0 280.169 2.444 10 0 CEAERO c1[nH]nc2cc(CN3CC[N@@H+]4CCCC[C@@H]4C3)ccc12 ZINC000121292523 365547210 /nfs/dbraw/zinc/54/72/10/365547210.db2.gz GAHPXWUMFBNCGE-OAHLLOKOSA-N 1 0 270.380 2.233 10 0 CEAERO Cc1ccc(O)c(NC(=O)c2ccc(C[NH3+])cc2)c1 ZINC000082698363 178197940 /nfs/dbraw/zinc/19/79/40/178197940.db2.gz GVWAUORJPZGABM-UHFFFAOYSA-N 1 0 256.305 2.412 10 0 CEAERO CCOC(=O)[C@H](C[NH3+])Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000034964055 361801075 /nfs/dbraw/zinc/80/10/75/361801075.db2.gz VINFEPPBIGMRQS-JBLDHEPKSA-N 1 0 251.326 2.084 10 0 CEAERO CC(=O)N1CCC([NH2+][C@@H]2CCOc3ccccc32)CC1 ZINC000034996441 361802588 /nfs/dbraw/zinc/80/25/88/361802588.db2.gz LUWAPUOJFGKYNS-OAHLLOKOSA-N 1 0 274.364 2.111 10 0 CEAERO CC[C@@H]([NH3+])C[S@@](=O)c1ccc(Br)cc1 ZINC000082747091 178269173 /nfs/dbraw/zinc/26/91/73/178269173.db2.gz KORDSCGLDXAACV-OTYXRUKQSA-N 1 0 276.199 2.294 10 0 CEAERO CC[C@@H](CC[NH3+])S(=O)(=O)c1cccc(Cl)c1 ZINC000082790973 178295526 /nfs/dbraw/zinc/29/55/26/178295526.db2.gz XLOBWSCEQICYAH-JTQLQIEISA-N 1 0 261.774 2.241 10 0 CEAERO CCCC(=O)OC[C@H](O)C[N@H+](Cc1cccs1)C1CC1 ZINC000036031643 361824829 /nfs/dbraw/zinc/82/48/29/361824829.db2.gz SURNVZBQPLDYPC-CYBMUJFWSA-N 1 0 297.420 2.417 10 0 CEAERO C[C@@H]1CC(F)(F)CCN1C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000638632914 370645511 /nfs/dbraw/zinc/64/55/11/370645511.db2.gz YPVHNUDIAZPSRC-VWYCJHECSA-N 1 0 260.328 2.021 10 0 CEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C1CC(c2ccccc2F)C1 ZINC000336561684 365646887 /nfs/dbraw/zinc/64/68/87/365646887.db2.gz UCJQISFOEMGAJM-ZIULKBFBSA-N 1 0 276.355 2.328 10 0 CEAERO OCCC[C@@H]1CCC[N@@H+]1Cc1cncc(Cl)c1 ZINC000621254131 349538540 /nfs/dbraw/zinc/53/85/40/349538540.db2.gz IFZOUPIRIXHSIZ-ZDUSSCGKSA-N 1 0 254.761 2.472 10 0 CEAERO C[C@@H]([NH3+])[C@@H](CO)Sc1nc2ccccc2s1 ZINC000082988014 178332418 /nfs/dbraw/zinc/33/24/18/178332418.db2.gz ZSLOASBHIBJYEY-GMSGAONNSA-N 1 0 254.380 2.097 10 0 CEAERO C[C@H](C[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1)C(F)(F)F ZINC000336580733 365671576 /nfs/dbraw/zinc/67/15/76/365671576.db2.gz PSCMMUBNJQGJHV-PWSUYJOCSA-N 1 0 281.318 2.455 10 0 CEAERO [NH3+]Cc1ccc(F)cc1Cn1cc(Br)cn1 ZINC000082865002 178328719 /nfs/dbraw/zinc/32/87/19/178328719.db2.gz SJKVUQWSKAGTSY-UHFFFAOYSA-N 1 0 284.132 2.292 10 0 CEAERO CC[NH2+][C@H](CCO)c1cccc(Br)c1 ZINC000082918313 178330255 /nfs/dbraw/zinc/33/02/55/178330255.db2.gz FKHMFGGJFMRXSK-LLVKDONJSA-N 1 0 258.159 2.482 10 0 CEAERO [NH3+][C@]1(Cc2cccc(Br)c2)CCOC1 ZINC000083186859 178352062 /nfs/dbraw/zinc/35/20/62/178352062.db2.gz SNMQGGVCRLRSSX-NSHDSACASA-N 1 0 256.143 2.109 10 0 CEAERO [NH3+][C@@]1(CCOc2cccc(Br)c2)CCOC1 ZINC000083186966 178352233 /nfs/dbraw/zinc/35/22/33/178352233.db2.gz HQYWMUUDRISJPX-GFCCVEGCSA-N 1 0 286.169 2.336 10 0 CEAERO C[C@@H]1CC(F)(F)CCN1C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000638632332 370645940 /nfs/dbraw/zinc/64/59/40/370645940.db2.gz WTZDICAHSGFBRL-VWYCJHECSA-N 1 0 260.328 2.150 10 0 CEAERO CC[C@@H](O)C[N@H+](CCCOC)Cc1ccccc1F ZINC000036096276 361827618 /nfs/dbraw/zinc/82/76/18/361827618.db2.gz SBNONHQECWJKNC-CQSZACIVSA-N 1 0 269.360 2.435 10 0 CEAERO O=C(NC[C@@H]1CC[NH2+]C1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000168103404 295669402 /nfs/dbraw/zinc/66/94/02/295669402.db2.gz LLXNOWSVXGFDJK-CBBWQLFWSA-N 1 0 264.413 2.319 10 0 CEAERO CSC[C@H](C)CNC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000083410750 178418410 /nfs/dbraw/zinc/41/84/10/178418410.db2.gz CSBRFPQDCJWUHO-NEPJUHHUSA-N 1 0 258.431 2.024 10 0 CEAERO CCC[NH2+][C@@H](CCO)CN(CCC(C)C)C1CC1 ZINC000096845337 185117007 /nfs/dbraw/zinc/11/70/07/185117007.db2.gz ZHRGXLCIFVFPCI-AWEZNQCLSA-N 1 0 256.434 2.248 10 0 CEAERO Cc1cc(N2CC[NH+](Cc3ccccc3)CC2)ncc1N ZINC000036250848 361837276 /nfs/dbraw/zinc/83/72/76/361837276.db2.gz XYSBKJMFNYZTOW-UHFFFAOYSA-N 1 0 282.391 2.294 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(OC)c(F)c1 ZINC000037032609 361890066 /nfs/dbraw/zinc/89/00/66/361890066.db2.gz VSICZIQIUDOUEL-JOYOIKCWSA-N 1 0 268.332 2.139 10 0 CEAERO CC(C)(C)OC(=O)N1Cc2sccc2[C@H]([NH3+])C1 ZINC000096958592 185142395 /nfs/dbraw/zinc/14/23/95/185142395.db2.gz IZCIRLRIZXUCCD-SECBINFHSA-N 1 0 254.355 2.499 10 0 CEAERO Clc1ccc(CCn2cncc2C2C[NH2+]C2)cc1 ZINC000097020067 185152893 /nfs/dbraw/zinc/15/28/93/185152893.db2.gz DZYORDUXLFLENW-UHFFFAOYSA-N 1 0 261.756 2.466 10 0 CEAERO COc1ccc(C[N@@H+]2CCC[C@@H](O)[C@H]2C)cc1OC ZINC000294972934 199278127 /nfs/dbraw/zinc/27/81/27/199278127.db2.gz JFXGMWQKRZFHOC-DGCLKSJQSA-N 1 0 265.353 2.049 10 0 CEAERO CC1CCC(NC(=O)[C@@H]2C[C@@H](C)C[C@@H]([NH3+])C2)CC1 ZINC000097030660 185154482 /nfs/dbraw/zinc/15/44/82/185154482.db2.gz HSPAYAASIOHCCT-DEULPLRUSA-N 1 0 252.402 2.445 10 0 CEAERO O=S(=O)(CC[C@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000039287573 361987685 /nfs/dbraw/zinc/98/76/85/361987685.db2.gz SEAZTJPVNMORFV-CQSZACIVSA-N 1 0 267.394 2.134 10 0 CEAERO Cn1c2ccccc2cc(C[NH2+]CCN2CCCCC2)c1=O ZINC000039287331 361987847 /nfs/dbraw/zinc/98/78/47/361987847.db2.gz KXXXDVLKXRWSCB-UHFFFAOYSA-N 1 0 299.418 2.114 10 0 CEAERO CCc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NCCCOC)cc1 ZINC000037980707 361970735 /nfs/dbraw/zinc/97/07/35/361970735.db2.gz LRXPFLRGKMGVRU-UONOGXRCSA-N 1 0 292.423 2.441 10 0 CEAERO Cn1nc(C[N@@H+]2CCC[C@@H]2CCCO)c2ccccc21 ZINC000089178795 539031919 /nfs/dbraw/zinc/03/19/19/539031919.db2.gz VCGJLNRNZICIGQ-CYBMUJFWSA-N 1 0 273.380 2.310 10 0 CEAERO CCC(CC)[N@H+](CC(C)C)C[C@H](O)CN1CCCC1=O ZINC000177064958 282178035 /nfs/dbraw/zinc/17/80/35/282178035.db2.gz LJYGYKZSVODAOL-OAHLLOKOSA-N 1 0 284.444 2.116 10 0 CEAERO CC(C)(C)OC(=O)c1cc(F)c2c(c1)C[NH2+]CCO2 ZINC000725258937 539205338 /nfs/dbraw/zinc/20/53/38/539205338.db2.gz AWFUGKQCCUZZOO-UHFFFAOYSA-N 1 0 267.300 2.263 10 0 CEAERO CCCC[C@@H](C[NH3+])Nc1cc(OCC)nc(C)n1 ZINC000130543617 539206271 /nfs/dbraw/zinc/20/62/71/539206271.db2.gz RYHBGVBQOFQOFR-NSHDSACASA-N 1 0 252.362 2.113 10 0 CEAERO CCc1cc2c(ncnc2N2C[C@H]([NH3+])C[C@@H]2C)s1 ZINC000385275786 539198775 /nfs/dbraw/zinc/19/87/75/539198775.db2.gz UMOHLBVDLQTXFD-DTWKUNHWSA-N 1 0 262.382 2.180 10 0 CEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@H]1CC=CCC1 ZINC000338284481 214493823 /nfs/dbraw/zinc/49/38/23/214493823.db2.gz BEPORHGSWVLMME-UONOGXRCSA-N 1 0 267.417 2.372 10 0 CEAERO CCC[C@H](C)C(=O)N[C@H]1CC[NH2+]CC[C@H]1C(F)(F)F ZINC000725262683 539211507 /nfs/dbraw/zinc/21/15/07/539211507.db2.gz LMILFOKAZXFQCE-AXFHLTTASA-N 1 0 280.334 2.469 10 0 CEAERO CC(C)CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])CC1 ZINC000725262961 539211958 /nfs/dbraw/zinc/21/19/58/539211958.db2.gz XUKVIBFASJYHMA-ZJUUUORDSA-N 1 0 266.307 2.161 10 0 CEAERO CC(C)CC(=O)N[C@@H]1CC[NH2+]CC[C@@H]1C(F)(F)F ZINC000725262877 539212018 /nfs/dbraw/zinc/21/20/18/539212018.db2.gz QDHAGWJFTYIBBD-VHSXEESVSA-N 1 0 266.307 2.079 10 0 CEAERO CCC(C)(C)NC(=O)N1CCC2(CCC[C@@H]2[NH3+])CC1 ZINC000725264269 539212603 /nfs/dbraw/zinc/21/26/03/539212603.db2.gz UKCCTUANROIUDA-LBPRGKRZSA-N 1 0 267.417 2.478 10 0 CEAERO CC(C)n1ccnc1C[NH2+][C@H]1CCCC[C@H]1CO ZINC000124994824 539212680 /nfs/dbraw/zinc/21/26/80/539212680.db2.gz CIJUTSYOOMHNNG-STQMWFEESA-N 1 0 251.374 2.105 10 0 CEAERO [NH3+]CCc1ccc2c(c1)CCCN2C(=O)C1CCC1 ZINC000725265036 539213157 /nfs/dbraw/zinc/21/31/57/539213157.db2.gz YFFWFFRFQKFHJI-UHFFFAOYSA-N 1 0 258.365 2.267 10 0 CEAERO C[N@@H+](Cc1ccc2ccccc2n1)C[C@H](O)C1CC1 ZINC000079770102 539224249 /nfs/dbraw/zinc/22/42/49/539224249.db2.gz NFLYLFOSDYKYRJ-INIZCTEOSA-N 1 0 256.349 2.438 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)c2ccccc2F)C1 ZINC000170868110 282196256 /nfs/dbraw/zinc/19/62/56/282196256.db2.gz XNAPYJDCDKXTMJ-GFCCVEGCSA-N 1 0 278.371 2.266 10 0 CEAERO COC1CCN(c2ccc(C[C@@H](C)[NH3+])cc2C)CC1 ZINC000111492476 536758218 /nfs/dbraw/zinc/75/82/18/536758218.db2.gz YXORBYRGAJQRTA-CYBMUJFWSA-N 1 0 262.397 2.500 10 0 CEAERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]C[C@H]1CNC(=O)C1 ZINC000398333045 539261956 /nfs/dbraw/zinc/26/19/56/539261956.db2.gz GRQKFYFRNVKEIW-WBMJQRKESA-N 1 0 272.392 2.426 10 0 CEAERO [NH3+]C[C@H](c1cc(Br)cs1)n1cccn1 ZINC000043287827 362142542 /nfs/dbraw/zinc/14/25/42/362142542.db2.gz TUYKHFIIDVJODL-MRVPVSSYSA-N 1 0 272.171 2.255 10 0 CEAERO CC(=O)Nc1ccc(C)c(NC(=O)C2CCC([NH3+])CC2)c1 ZINC000037626794 343430438 /nfs/dbraw/zinc/43/04/38/343430438.db2.gz JQDYAALHIIMSHR-UHFFFAOYSA-N 1 0 289.379 2.409 10 0 CEAERO Cc1ccccc1OCCN(C)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054307756 343587188 /nfs/dbraw/zinc/58/71/88/343587188.db2.gz YNDOJFCTVZWBFC-OAHLLOKOSA-N 1 0 290.407 2.222 10 0 CEAERO Cc1nn(C)cc1C[NH2+][C@H]1CCOc2ccccc21 ZINC000125931636 282296859 /nfs/dbraw/zinc/29/68/59/282296859.db2.gz XAKIKUQENWBWSB-AWEZNQCLSA-N 1 0 257.337 2.342 10 0 CEAERO NC(=[NH2+])SCCC(=O)Nc1cccc(Cl)c1 ZINC000083589064 178598456 /nfs/dbraw/zinc/59/84/56/178598456.db2.gz OCOZHGPOJARYRV-UHFFFAOYSA-N 1 0 257.746 2.295 10 0 CEAERO COc1cc2c(cc1C[NH2+][C@@H]1CCC[C@H](O)C1)O[C@H](C)C2 ZINC000109133098 344266900 /nfs/dbraw/zinc/26/69/00/344266900.db2.gz IKTDYMZVPJUUPI-DFBGVHRSSA-N 1 0 291.391 2.412 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC000113267365 344276143 /nfs/dbraw/zinc/27/61/43/344276143.db2.gz NEUKAHGFVYHHTN-SWLSCSKDSA-N 1 0 266.360 2.197 10 0 CEAERO O[C@H]1C[NH2+]C[C@@H]1CCCSCc1ccccc1 ZINC000114917679 344281469 /nfs/dbraw/zinc/28/14/69/344281469.db2.gz HHSMPSXRJATESO-KBPBESRZSA-N 1 0 251.395 2.280 10 0 CEAERO O=C1CC2(CC[NH2+]CC2)c2cc(Br)ccc2N1 ZINC000115491167 344283387 /nfs/dbraw/zinc/28/33/87/344283387.db2.gz ATYPGUYPPULNNP-UHFFFAOYSA-N 1 0 295.180 2.413 10 0 CEAERO CC(C)[C@@H](C)NC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000127458600 344329934 /nfs/dbraw/zinc/32/99/34/344329934.db2.gz PTXLCRUCTFVOHP-ZIAGYGMSSA-N 1 0 269.433 2.452 10 0 CEAERO Cc1cccc(N2CC[C@H]([NH3+])C2)c1Br ZINC000131824318 344360147 /nfs/dbraw/zinc/36/01/47/344360147.db2.gz PVQRDPJLTQEICU-VIFPVBQESA-N 1 0 255.159 2.295 10 0 CEAERO CCN1CCO[C@H](C[NH2+]Cc2cc(C)cc(C)c2)C1 ZINC000134434193 344373920 /nfs/dbraw/zinc/37/39/20/344373920.db2.gz RHKQFWTZFPAWBT-MRXNPFEDSA-N 1 0 262.397 2.114 10 0 CEAERO CCc1ccc(C[NH2+]C[C@@H]2CN(CC)CCO2)cc1 ZINC000134435465 344374188 /nfs/dbraw/zinc/37/41/88/344374188.db2.gz UYAPOANUMODGFM-MRXNPFEDSA-N 1 0 262.397 2.059 10 0 CEAERO C[C@](C[NH3+])(c1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000134482965 344374853 /nfs/dbraw/zinc/37/48/53/344374853.db2.gz MXDKGSYSCRRQGS-KRWDZBQOSA-N 1 0 280.327 2.157 10 0 CEAERO [NH2+]=C1NC[C@H](c2ccc(Cl)c(Br)c2)N1 ZINC000137303246 344387513 /nfs/dbraw/zinc/38/75/13/344387513.db2.gz MFOIJNONYWBDJL-MRVPVSSYSA-N 1 0 274.549 2.062 10 0 CEAERO CC(C)(C)OC(=O)N(C1CC1)[C@H]1CC[NH2+]C[C@H]1F ZINC000147919888 344412806 /nfs/dbraw/zinc/41/28/06/344412806.db2.gz PULOLFIJJRREEK-MNOVXSKESA-N 1 0 258.337 2.086 10 0 CEAERO CC(C)[C@@H]1CN(c2cnc3ccccc3n2)CC[NH2+]1 ZINC000149388065 344414968 /nfs/dbraw/zinc/41/49/68/344414968.db2.gz PSSQVSBKBGZURP-AWEZNQCLSA-N 1 0 256.353 2.064 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1c1cc(N)c([N+](=O)[O-])cc1Cl ZINC000149203971 344415052 /nfs/dbraw/zinc/41/50/52/344415052.db2.gz HWUDWJALHDLWQA-SECBINFHSA-N 1 0 298.774 2.361 10 0 CEAERO [NH3+]C[C@H]1CCCN1C(=O)CCc1c[nH]c2ccccc12 ZINC000156073298 344440991 /nfs/dbraw/zinc/44/09/91/344440991.db2.gz JOTKRUMQRWAROR-CYBMUJFWSA-N 1 0 271.364 2.050 10 0 CEAERO O[C@]1(c2cscc2Br)CCC[NH2+]CC1 ZINC000160709470 344460519 /nfs/dbraw/zinc/46/05/19/344460519.db2.gz WSIMLSOQBRHGSR-SNVBAGLBSA-N 1 0 276.199 2.472 10 0 CEAERO C[C@@H]1CCCC[C@@H]1CNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170834224 344491097 /nfs/dbraw/zinc/49/10/97/344491097.db2.gz OOSZWTIUFNTJGG-MCIONIFRSA-N 1 0 267.417 2.158 10 0 CEAERO C[C@@]1(Nc2ccc(Br)cn2)CC[NH2+]C1 ZINC000230748872 344573498 /nfs/dbraw/zinc/57/34/98/344573498.db2.gz HVDJVCVMWZTDBD-SNVBAGLBSA-N 1 0 256.147 2.008 10 0 CEAERO COc1ccc([C@@H]2CC[NH2+][C@@H]2CO)cc1OC1CCCC1 ZINC000216361181 344534865 /nfs/dbraw/zinc/53/48/65/344534865.db2.gz YRSPOOJPQQYWAJ-LSDHHAIUSA-N 1 0 291.391 2.454 10 0 CEAERO C[NH2+]Cc1cc2c(s1)c(Br)cn(C)c2=O ZINC000220090146 344537518 /nfs/dbraw/zinc/53/75/18/344537518.db2.gz BAALCUBYXCYXLJ-UHFFFAOYSA-N 1 0 287.182 2.082 10 0 CEAERO CCc1ccc(S(=O)(=O)N(C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000226463236 344550309 /nfs/dbraw/zinc/55/03/09/344550309.db2.gz BNFVXYUQERLUQF-AWEZNQCLSA-N 1 0 296.436 2.012 10 0 CEAERO CN(C(=O)c1cccc2[nH]ccc21)[C@H]1CCC[NH2+]CC1 ZINC000226457381 344550329 /nfs/dbraw/zinc/55/03/29/344550329.db2.gz DSAUTTVZOUKUHU-LBPRGKRZSA-N 1 0 271.364 2.382 10 0 CEAERO C[NH2+][C@H](CO)c1cc(Br)c(Cl)s1 ZINC000227936813 344557524 /nfs/dbraw/zinc/55/75/24/344557524.db2.gz YOENQMWJOKPVEE-RXMQYKEDSA-N 1 0 270.579 2.417 10 0 CEAERO [NH3+]Cc1ccc(-n2cccn2)cc1Br ZINC000228157516 344559042 /nfs/dbraw/zinc/55/90/42/344559042.db2.gz XZWNONJOEOAJJH-UHFFFAOYSA-N 1 0 252.115 2.094 10 0 CEAERO C[C@@H]1SCC[C@]12C[NH+]=C(N)N2Cc1ccccc1 ZINC000235410971 344591077 /nfs/dbraw/zinc/59/10/77/344591077.db2.gz PLQVGPRAWYVTIJ-FZMZJTMJSA-N 1 0 261.394 2.081 10 0 CEAERO Cc1cccc(N2C(=O)c3ccccc3C2=O)c1C[NH3+] ZINC000236012847 344593658 /nfs/dbraw/zinc/59/36/58/344593658.db2.gz UPKYHCRPENOZLE-UHFFFAOYSA-N 1 0 266.300 2.254 10 0 CEAERO CC(C)C[C@H](CN(C)C)[NH2+]C[C@H](O)CC1CCCC1 ZINC000232130261 344576870 /nfs/dbraw/zinc/57/68/70/344576870.db2.gz TXBFKDYLLPIJQB-HZPDHXFCSA-N 1 0 270.461 2.494 10 0 CEAERO [NH3+][C@H]1CCN(c2cc(F)ccc2Br)C1 ZINC000232248510 344577298 /nfs/dbraw/zinc/57/72/98/344577298.db2.gz XXMPJKFKHDDUJP-QMMMGPOBSA-N 1 0 259.122 2.126 10 0 CEAERO Cc1noc(C)c1[C@H](C)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246750871 539396693 /nfs/dbraw/zinc/39/66/93/539396693.db2.gz BJKGVQUROKPPCD-SUNKGSAMSA-N 1 0 293.411 2.240 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](C)C(C)(C)C)C1 ZINC000246537241 344616986 /nfs/dbraw/zinc/61/69/86/344616986.db2.gz HHZZBVDKICDPAD-VXGBXAGGSA-N 1 0 255.406 2.205 10 0 CEAERO Cc1ccc(CC(=O)N2CCCC[C@H]2C[NH3+])cc1C ZINC000053140331 362482879 /nfs/dbraw/zinc/48/28/79/362482879.db2.gz IONHCEQNJUJXRV-HNNXBMFYSA-N 1 0 260.381 2.186 10 0 CEAERO C[NH+](C)C[C@H](NC(=O)NCc1ccccn1)c1ccccc1 ZINC000053249321 362488840 /nfs/dbraw/zinc/48/88/40/362488840.db2.gz WAFBPDJEECWNMG-INIZCTEOSA-N 1 0 298.390 2.184 10 0 CEAERO [NH3+]Cc1ccnc(OC(F)(F)F)c1Br ZINC000238690622 344607480 /nfs/dbraw/zinc/60/74/80/344607480.db2.gz KCUVUBNOEYRZJE-UHFFFAOYSA-N 1 0 271.036 2.201 10 0 CEAERO CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000262287831 344654476 /nfs/dbraw/zinc/65/44/76/344654476.db2.gz MSXAAIRFPCAJMV-YJNKXOJESA-N 1 0 282.428 2.071 10 0 CEAERO CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000262287823 344654495 /nfs/dbraw/zinc/65/44/95/344654495.db2.gz MSXAAIRFPCAJMV-KBXIAJHMSA-N 1 0 282.428 2.071 10 0 CEAERO CCO[C@H](CCNC(=O)[C@@H]1CC[C@H]([NH3+])C1)C1CCCC1 ZINC000262610621 344654942 /nfs/dbraw/zinc/65/49/42/344654942.db2.gz CZIQDFOJIKDVCI-QLFBSQMISA-N 1 0 282.428 2.215 10 0 CEAERO C[C@@H]1CCC[C@H](NC(=O)C[C@H]2CCC[NH2+]C2)[C@@H]1C ZINC000251946927 344638409 /nfs/dbraw/zinc/63/84/09/344638409.db2.gz WLQCKADWDLRGBU-SYQHCUMBSA-N 1 0 252.402 2.317 10 0 CEAERO CCC[C@H](C)C[N@@H+]1CCN(CCOCC)[C@@H](C)C1 ZINC000252733714 344641402 /nfs/dbraw/zinc/64/14/02/344641402.db2.gz BJWCWBJOZPCNSH-GJZGRUSLSA-N 1 0 256.434 2.465 10 0 CEAERO [NH3+][C@H]1CC[C@@H](CNc2nc(Br)cs2)C1 ZINC000307275334 344721187 /nfs/dbraw/zinc/72/11/87/344721187.db2.gz QIWPSLYBRZEKFA-RQJHMYQMSA-N 1 0 276.203 2.445 10 0 CEAERO [NH3+][C@H]1CCO[C@@H]1c1cccc(I)c1 ZINC000307436652 344722838 /nfs/dbraw/zinc/72/28/38/344722838.db2.gz RGSGCTOLOKXPJU-VHSXEESVSA-N 1 0 289.116 2.080 10 0 CEAERO [NH3+][C@H]1CSC[C@H]1Cc1coc(Br)c1 ZINC000307450812 344722857 /nfs/dbraw/zinc/72/28/57/344722857.db2.gz RUBWWSMPRJIYDB-SFYZADRCSA-N 1 0 262.172 2.275 10 0 CEAERO CC(C)(C)[C@@H](O)C[NH2+]CCCOc1ccccc1 ZINC000310810628 344731484 /nfs/dbraw/zinc/73/14/84/344731484.db2.gz BUAGXBTZCYYIMM-AWEZNQCLSA-N 1 0 251.370 2.452 10 0 CEAERO Cc1nnsc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000311588661 344734838 /nfs/dbraw/zinc/73/48/38/344734838.db2.gz ZLDPSQOYZFJVLD-XQQFMLRXSA-N 1 0 281.425 2.362 10 0 CEAERO C[C@H]([NH3+])C[C@H](C)Nc1cncc(Br)c1 ZINC000306248662 344712626 /nfs/dbraw/zinc/71/26/26/344712626.db2.gz HSDZMYRYKVJGAZ-YUMQZZPRSA-N 1 0 258.163 2.382 10 0 CEAERO C[C@H]1C[C@@H](N2C[C@@H](C)[NH2+][C@@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000306571331 344714618 /nfs/dbraw/zinc/71/46/18/344714618.db2.gz FXJGVDUICZTVFH-UIBIWLFHSA-N 1 0 287.451 2.332 10 0 CEAERO Cn1ncc([C@H]([NH3+])C(C)(C)C)c1I ZINC000306728918 344716772 /nfs/dbraw/zinc/71/67/72/344716772.db2.gz CFIXRVHJSXCPNO-ZETCQYMHSA-N 1 0 293.152 2.071 10 0 CEAERO C[N@H+](C[C@@H]1CCc2nccn2C1)[C@H]1Cc2ccccc2[C@@H]1O ZINC000328631956 344757259 /nfs/dbraw/zinc/75/72/59/344757259.db2.gz LAMBRAYMYNYIRA-OWQGQXMQSA-N 1 0 297.402 2.036 10 0 CEAERO c1[nH]nc2cc(CN(C[C@H]3CCC[NH2+]3)C3CC3)ccc12 ZINC000328645169 344758169 /nfs/dbraw/zinc/75/81/69/344758169.db2.gz SBBVNPVBOVOPID-CQSZACIVSA-N 1 0 270.380 2.279 10 0 CEAERO CC(C)=CC[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1cncnc1 ZINC000328622076 344755809 /nfs/dbraw/zinc/75/58/09/344755809.db2.gz BAHZEGHFFUHMRQ-HOTGVXAUSA-N 1 0 292.402 2.287 10 0 CEAERO [NH3+]C[C@H]1CC[C@@H](c2nc(CCCc3ccccc3)no2)O1 ZINC000328611803 344755973 /nfs/dbraw/zinc/75/59/73/344755973.db2.gz MQYDVLZGDAGDJF-KGLIPLIRSA-N 1 0 287.363 2.424 10 0 CEAERO CCC[C@H](CC[NH3+])CCC(=O)Nc1cc(C)on1 ZINC000083709860 178722094 /nfs/dbraw/zinc/72/20/94/178722094.db2.gz PIBVWKPOXZUAJW-NSHDSACASA-N 1 0 253.346 2.467 10 0 CEAERO Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000380673099 344823401 /nfs/dbraw/zinc/82/34/01/344823401.db2.gz XEEIAVWIXTXVEB-WFASDCNBSA-N 1 0 275.352 2.468 10 0 CEAERO [NH3+]C[C@H](NCC(F)(F)F)c1ccc(Cl)cc1 ZINC000083774971 178745980 /nfs/dbraw/zinc/74/59/80/178745980.db2.gz WBMUMBOHXRLBIQ-VIFPVBQESA-N 1 0 252.667 2.492 10 0 CEAERO COC[C@H](C)[NH2+]Cc1cccc(C(=O)OC)c1Cl ZINC000382016653 344825636 /nfs/dbraw/zinc/82/56/36/344825636.db2.gz AAQUOPVVHIYAMO-VIFPVBQESA-N 1 0 271.744 2.251 10 0 CEAERO CC[C@@H](c1ccnc(Br)c1)N1CC[NH2+]CC1 ZINC000396859543 344849648 /nfs/dbraw/zinc/84/96/48/344849648.db2.gz CJVZDYVTQPHEDK-NSHDSACASA-N 1 0 284.201 2.200 10 0 CEAERO C[C@@H]1CC[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C[NH2+]1 ZINC000398958916 344856145 /nfs/dbraw/zinc/85/61/45/344856145.db2.gz KRRLGHKYPLHIGT-SCZZXKLOSA-N 1 0 253.277 2.286 10 0 CEAERO Cc1cc(C)c(C[N@@H+]2CC[C@H]3OCCN[C@H]3C2)c(C)c1 ZINC000404118363 344878429 /nfs/dbraw/zinc/87/84/29/344878429.db2.gz LXAOPEKLHYNWMC-DLBZAZTESA-N 1 0 274.408 2.175 10 0 CEAERO c1ccc(-c2noc([C@]34CCC[C@H]3C[NH2+]C4)n2)cc1 ZINC000407986760 344886520 /nfs/dbraw/zinc/88/65/20/344886520.db2.gz HMPDLAZETKCVNO-WFASDCNBSA-N 1 0 255.321 2.378 10 0 CEAERO CCCC[S@@](=O)C[C@H]([NH3+])c1ccc(OC)cc1 ZINC000084037928 178776775 /nfs/dbraw/zinc/77/67/75/178776775.db2.gz JANBWZGJMPUDJX-GUYCJALGSA-N 1 0 255.383 2.244 10 0 CEAERO Cn1cc(C[NH2+]CCO)c2cc(C(F)(F)F)ccc21 ZINC000584603339 344963733 /nfs/dbraw/zinc/96/37/33/344963733.db2.gz WXMVPEGYGWYNMA-UHFFFAOYSA-N 1 0 272.270 2.279 10 0 CEAERO CN(CC[N@H+](C)CCCO)Cc1ccc(Cl)cc1 ZINC000584621225 344966959 /nfs/dbraw/zinc/96/69/59/344966959.db2.gz VHOBCUUCJPTZRW-UHFFFAOYSA-N 1 0 270.804 2.086 10 0 CEAERO C[C@H](O)[C@]1(C)COC(C)(C)C[N@@H+]1Cc1ccccc1 ZINC000584645728 344972494 /nfs/dbraw/zinc/97/24/94/344972494.db2.gz CMORFXOTVLUKQA-BBRMVZONSA-N 1 0 263.381 2.437 10 0 CEAERO CC(C)(C)CCS(=O)(=O)CCC[C@@H]1CCC[NH2+]1 ZINC000584645666 344972612 /nfs/dbraw/zinc/97/26/12/344972612.db2.gz BDIABRLJUNKJHE-LBPRGKRZSA-N 1 0 261.431 2.370 10 0 CEAERO CC1CCC2(CSC(N[C@@H]3CCC(=O)N(C)C3)=[NH+]2)CC1 ZINC000084090328 178786452 /nfs/dbraw/zinc/78/64/52/178786452.db2.gz FKMQLDMXHPLQCF-MQYJIDSJSA-N 1 0 295.452 2.249 10 0 CEAERO CCOC(=O)[C@@H](CC)N1CCCC[C@@H]1C[NH2+]CC(C)C ZINC000084107132 178793709 /nfs/dbraw/zinc/79/37/09/178793709.db2.gz JTIYNSQZGMFAOW-HUUCEWRRSA-N 1 0 284.444 2.428 10 0 CEAERO Cc1ccc(Br)c2[nH+]cc(N)c(N)c12 ZINC000584882764 344996148 /nfs/dbraw/zinc/99/61/48/344996148.db2.gz QAMOSCROEYOCRU-UHFFFAOYSA-N 1 0 252.115 2.300 10 0 CEAERO CNc1c(N)c[nH+]c2c(C)c(Br)ccc12 ZINC000584881811 344996509 /nfs/dbraw/zinc/99/65/09/344996509.db2.gz BVKFHWJFQRPXQC-UHFFFAOYSA-N 1 0 266.142 2.352 10 0 CEAERO [NH3+]CCCc1nc2ccccc2n1C[C@@H]1CCCO1 ZINC000053994565 362503147 /nfs/dbraw/zinc/50/31/47/362503147.db2.gz PCJCRIMNPZBFLV-LBPRGKRZSA-N 1 0 259.353 2.107 10 0 CEAERO [NH3+]C1(CC(=O)Nc2ccc(Cl)cn2)CCCC1 ZINC000084163532 178811074 /nfs/dbraw/zinc/81/10/74/178811074.db2.gz QZEIOELMTIBENY-UHFFFAOYSA-N 1 0 253.733 2.335 10 0 CEAERO C[NH2+][C@H](C)C(=O)N[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000054072987 362508845 /nfs/dbraw/zinc/50/88/45/362508845.db2.gz SXNRJLVIKKHFQN-NWDGAFQWSA-N 1 0 264.369 2.259 10 0 CEAERO C[NH2+][C@H](C)C(=O)N(Cc1ccccc1)[C@H](C)C1CC1 ZINC000054074968 362510658 /nfs/dbraw/zinc/51/06/58/362510658.db2.gz LGAGFSLPWPJPNN-CHWSQXEVSA-N 1 0 260.381 2.422 10 0 CEAERO CC[C@@H]1c2ccsc2CCN1C(=O)[C@@H](C)[NH2+]C ZINC000054075141 362510713 /nfs/dbraw/zinc/51/07/13/362510713.db2.gz FCVIKJJMOSJIAZ-MWLCHTKSSA-N 1 0 252.383 2.192 10 0 CEAERO Cc1ccccc1CN(C)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054291196 362523032 /nfs/dbraw/zinc/52/30/32/362523032.db2.gz RSQUBVPKGLZJEH-CQSZACIVSA-N 1 0 260.381 2.343 10 0 CEAERO CCN(Cc1cccs1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054307838 362526459 /nfs/dbraw/zinc/52/64/59/362526459.db2.gz ORUKFYPSBPHKPS-GFCCVEGCSA-N 1 0 266.410 2.486 10 0 CEAERO COCCN(Cc1ccccc1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054307662 362526701 /nfs/dbraw/zinc/52/67/01/362526701.db2.gz VXCKALCKMZMYIU-MRXNPFEDSA-N 1 0 290.407 2.051 10 0 CEAERO CCC1(CC)[C@@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C[C@@H]1OC ZINC000261670546 282388009 /nfs/dbraw/zinc/38/80/09/282388009.db2.gz GAMIKNMCRXAMQI-MQYQWHSLSA-N 1 0 282.428 2.071 10 0 CEAERO [NH3+]Cc1cc(F)ccc1CS(=O)(=O)C1CCCC1 ZINC000084272552 178838926 /nfs/dbraw/zinc/83/89/26/178838926.db2.gz GNDCQLJDDXISKB-UHFFFAOYSA-N 1 0 271.357 2.142 10 0 CEAERO CCS(=O)(=O)[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1C[NH3+] ZINC000084269004 178835805 /nfs/dbraw/zinc/83/58/05/178835805.db2.gz YFUDDYJADMPELG-RRFJBIMHSA-N 1 0 281.421 2.332 10 0 CEAERO CCOC(=O)[C@@](C)(N)C[C@H](C)[N@H+](C)C[C@@H](C)CC ZINC000084308190 178852946 /nfs/dbraw/zinc/85/29/46/178852946.db2.gz LPCZEWAPSRIOAZ-OBJOEFQTSA-N 1 0 258.406 2.023 10 0 CEAERO CCC1CC[NH+]([C@@H](C)C[C@@](C)(NC)C(=O)OC)CC1 ZINC000084350183 178863278 /nfs/dbraw/zinc/86/32/78/178863278.db2.gz DRJSZBMUAWJLHN-SWLSCSKDSA-N 1 0 270.417 2.038 10 0 CEAERO C[NH2+][C@H](C)C[C@@H](C)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000084356440 178867520 /nfs/dbraw/zinc/86/75/20/178867520.db2.gz IWFFYXFSLWJTHV-CHWSQXEVSA-N 1 0 269.410 2.464 10 0 CEAERO CCOC(=O)[C@@](C)(N)C[C@@H](C)[N@H+](C)CC1CCCC1 ZINC000084358696 178868675 /nfs/dbraw/zinc/86/86/75/178868675.db2.gz QMJUEJZWYFNNQO-DOMZBBRYSA-N 1 0 270.417 2.168 10 0 CEAERO C[C@H](C[NH2+]C1[C@H](C)CCC[C@H]1C)N1CCOCC1 ZINC000123428526 232206244 /nfs/dbraw/zinc/20/62/44/232206244.db2.gz MOZSZTFDYNLVEQ-MGPQQGTHSA-N 1 0 254.418 2.121 10 0 CEAERO [NH3+][C@H](COc1cccc(Cl)c1)C1CCOCC1 ZINC000097180646 185556835 /nfs/dbraw/zinc/55/68/35/185556835.db2.gz RSLCIQWXQGCBPV-CYBMUJFWSA-N 1 0 255.745 2.473 10 0 CEAERO CCn1ccnc1[C@H]([NH2+]C)c1cccc(N(C)C)c1 ZINC000097191705 185558428 /nfs/dbraw/zinc/55/84/28/185558428.db2.gz GTEGPUQBHKEKPT-CQSZACIVSA-N 1 0 258.369 2.278 10 0 CEAERO CC[NH2+][C@@H](CCCS(=O)(=O)CC)CCc1ccco1 ZINC000097217438 185566284 /nfs/dbraw/zinc/56/62/84/185566284.db2.gz ZTLPCDFPQPXYNI-ZDUSSCGKSA-N 1 0 287.425 2.405 10 0 CEAERO CCn1nc(C)cc1C[C@H]([NH3+])[C@]1(C)CCCS1 ZINC000097281464 185578953 /nfs/dbraw/zinc/57/89/53/185578953.db2.gz SXDKTLUFFXQQJR-STQMWFEESA-N 1 0 253.415 2.367 10 0 CEAERO Cn1c(C[C@@H]([NH3+])COC(C)(C)C)nc2ccccc21 ZINC000097303382 185580658 /nfs/dbraw/zinc/58/06/58/185580658.db2.gz BHHPMILPYAUWJK-LLVKDONJSA-N 1 0 261.369 2.258 10 0 CEAERO CCC[NH2+][C@H](COC)c1cccc2c1OCCO2 ZINC000097304431 185580682 /nfs/dbraw/zinc/58/06/82/185580682.db2.gz BCJQWZMZYPNWFP-GFCCVEGCSA-N 1 0 251.326 2.145 10 0 CEAERO C[NH2+][C@H](Cc1c(Cl)c(C)nn1C)[C@H]1CCSC1 ZINC000097273893 185575926 /nfs/dbraw/zinc/57/59/26/185575926.db2.gz NLQFEIQWPLFHRH-VHSXEESVSA-N 1 0 273.833 2.266 10 0 CEAERO CCc1cc(C[C@@H]([NH3+])[C@H]2OCCc3ccccc32)n(C)n1 ZINC000097276721 185576619 /nfs/dbraw/zinc/57/66/19/185576619.db2.gz ULIQVQIPEQRHRK-SJORKVTESA-N 1 0 285.391 2.166 10 0 CEAERO CCc1nn(CC)c(C[C@H]([NH3+])c2cnsn2)c1Cl ZINC000097279582 185577958 /nfs/dbraw/zinc/57/79/58/185577958.db2.gz ZEOXHHBAXQFNEL-ZETCQYMHSA-N 1 0 285.804 2.213 10 0 CEAERO Cc1ccc([C@H]([NH3+])[C@H]2CCOC3(CCOCC3)C2)cn1 ZINC000097311015 185583728 /nfs/dbraw/zinc/58/37/28/185583728.db2.gz FXAFAMVXDHFKNS-DZGCQCFKSA-N 1 0 276.380 2.366 10 0 CEAERO CCO[C@H](C[NH3+])c1ccc(OC)c(OC)c1Cl ZINC000097328971 185585504 /nfs/dbraw/zinc/58/55/04/185585504.db2.gz LZMYTRRHVXWFEU-SNVBAGLBSA-N 1 0 259.733 2.394 10 0 CEAERO C[NH2+][C@H](CC[C@@H](C)OC)[C@@H]1CCOC2(CCOCC2)C1 ZINC000097310856 185583435 /nfs/dbraw/zinc/58/34/35/185583435.db2.gz RCTUXEQRXHNSBW-RBSFLKMASA-N 1 0 285.428 2.365 10 0 CEAERO C[C@@H]1CC(NC(=O)COc2ccc(C[NH3+])cc2)C[C@@H](C)C1 ZINC000084971963 178936275 /nfs/dbraw/zinc/93/62/75/178936275.db2.gz HELVMAXRKWRZTB-STQMWFEESA-N 1 0 290.407 2.465 10 0 CEAERO CC(C)[NH2+]CCCS(=O)(=O)NC1C[C@H](C)C[C@H](C)C1 ZINC000084979257 178937682 /nfs/dbraw/zinc/93/76/82/178937682.db2.gz QJLSKPCAROGOQJ-PBWFPOADSA-N 1 0 290.473 2.119 10 0 CEAERO Cc1c([C@H]([NH3+])[C@@H]2CCOC3(CCCC3)C2)cnn1C ZINC000097338335 185587426 /nfs/dbraw/zinc/58/74/26/185587426.db2.gz BLQWGCOWMUMNAG-TZMCWYRMSA-N 1 0 263.385 2.468 10 0 CEAERO COCCOc1ccccc1[C@H]([NH3+])[C@@H]1CCSC1 ZINC000097415211 185599058 /nfs/dbraw/zinc/59/90/58/185599058.db2.gz MCTZTFHEYPBWJV-BXUZGUMPSA-N 1 0 267.394 2.465 10 0 CEAERO Cc1nn(C)c(C)c1C[C@@H]([NH3+])c1ccc2c(c1)CCO2 ZINC000097391538 185597308 /nfs/dbraw/zinc/59/73/08/185597308.db2.gz FPGSCNSJZVLUSM-OAHLLOKOSA-N 1 0 271.364 2.214 10 0 CEAERO COCC1CC[NH+]([C@]2(CN)CC[C@H](C)[C@@H](C)C2)CC1 ZINC000084990337 178940948 /nfs/dbraw/zinc/94/09/48/178940948.db2.gz BUHOJHQUQFFPIG-OFQRWUPVSA-N 1 0 268.445 2.498 10 0 CEAERO C[C@](O)(CC[NH3+])Cc1cc(F)ccc1Br ZINC000084997014 178941342 /nfs/dbraw/zinc/94/13/42/178941342.db2.gz XEICZPAZAIPZGR-NSHDSACASA-N 1 0 276.149 2.231 10 0 CEAERO COC(=O)C[C@](C)(C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000097430407 185601273 /nfs/dbraw/zinc/60/12/73/185601273.db2.gz XEFYVGAWPCGZJT-GFCCVEGCSA-N 1 0 275.270 2.485 10 0 CEAERO CC[C@H]1CCC[C@@H](NC(=O)[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000085069348 178947370 /nfs/dbraw/zinc/94/73/70/178947370.db2.gz PCJFRCJRQRBVFX-MJBXVCDLSA-N 1 0 264.413 2.461 10 0 CEAERO COC(=O)C[C@](C)(C[NH3+])c1ccc(SC)cc1 ZINC000097430456 185601995 /nfs/dbraw/zinc/60/19/95/185601995.db2.gz LXRQUWQAZZHWAE-CYBMUJFWSA-N 1 0 253.367 2.188 10 0 CEAERO CC[C@@H]([NH3+])[C@H](CC(=O)OC)c1ccc(OC)c(F)c1 ZINC000097432159 185602036 /nfs/dbraw/zinc/60/20/36/185602036.db2.gz OJMNVQAKEAGGSX-ZYHUDNBSSA-N 1 0 269.316 2.218 10 0 CEAERO CC[C@@H](C)n1ccc(Cn2nc(C)c(C[NH3+])c2C)n1 ZINC000085180988 178964800 /nfs/dbraw/zinc/96/48/00/178964800.db2.gz NQYJFLCLEWUMOL-SNVBAGLBSA-N 1 0 261.373 2.174 10 0 CEAERO CCOC(=O)c1cccnc1N1C[C@@H](CC)[NH2+]C[C@@H]1CC ZINC000086466247 136512653 /nfs/dbraw/zinc/51/26/53/136512653.db2.gz QIAKCJRHFLYOMS-OLZOCXBDSA-N 1 0 291.395 2.225 10 0 CEAERO C[C@H]1C[C@H]([NH3+])CN(c2cccc(C(F)(F)F)n2)C1 ZINC000094552997 136513477 /nfs/dbraw/zinc/51/34/77/136513477.db2.gz QLCMPSLVWFRYHO-IUCAKERBSA-N 1 0 259.275 2.274 10 0 CEAERO O=Cc1c(Cl)cccc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094461556 136513835 /nfs/dbraw/zinc/51/38/35/136513835.db2.gz JXJJSKGIDDZWDQ-LLVKDONJSA-N 1 0 264.756 2.437 10 0 CEAERO C[NH+](C)C1([C@@H](CC[C@@H]2CCCO2)NN)CCCCCC1 ZINC000097591264 185634301 /nfs/dbraw/zinc/63/43/01/185634301.db2.gz IHGKJGYEAKDYQU-LSDHHAIUSA-N 1 0 283.460 2.432 10 0 CEAERO NN[C@@H](CC[C@@H]1CCCO1)C1([NH+]2CCCC2)CCCC1 ZINC000097588306 185633260 /nfs/dbraw/zinc/63/32/60/185633260.db2.gz CXAHZMXLQRSLGL-GJZGRUSLSA-N 1 0 281.444 2.186 10 0 CEAERO C[NH+](C)C1([C@H](CC[C@H]2CCCO2)NN)CCCCC1 ZINC000097589200 185633726 /nfs/dbraw/zinc/63/37/26/185633726.db2.gz KZCBSMFHCFDPLR-KGLIPLIRSA-N 1 0 269.433 2.042 10 0 CEAERO [NH3+][C@@H](CO)CCOc1ccccc1-c1ccccc1 ZINC000085283133 179000645 /nfs/dbraw/zinc/00/06/45/179000645.db2.gz TURFOLXMKDNFPH-CQSZACIVSA-N 1 0 257.333 2.442 10 0 CEAERO C[C@](CO)(CCCCOCC(F)(F)F)[NH2+]C1CC1 ZINC000085282810 179001144 /nfs/dbraw/zinc/00/11/44/179001144.db2.gz UJEMTSCKPIVEAE-LLVKDONJSA-N 1 0 269.307 2.239 10 0 CEAERO CC[NH2+][C@](C)(CO)CCOc1ccccc1OCC ZINC000085283783 179001391 /nfs/dbraw/zinc/00/13/91/179001391.db2.gz PRFZXSICNJOFOP-HNNXBMFYSA-N 1 0 267.369 2.215 10 0 CEAERO C[NH2+][C@H](CO)CCOc1ccc(C(C)C)c(C)c1 ZINC000085284299 179002190 /nfs/dbraw/zinc/00/21/90/179002190.db2.gz FVGPSPLWSKGNRS-ZDUSSCGKSA-N 1 0 251.370 2.468 10 0 CEAERO CC[NH2+][C@](CO)(COc1cc(C)ccc1C)C1CC1 ZINC000085284529 179002212 /nfs/dbraw/zinc/00/22/12/179002212.db2.gz AOKJMDRVJMJSLQ-MRXNPFEDSA-N 1 0 263.381 2.433 10 0 CEAERO CC[NH2+][C@](C)(CO)CCOCCCc1ccccc1 ZINC000085266446 178996867 /nfs/dbraw/zinc/99/68/67/178996867.db2.gz CGNIFPHOCJPVTP-INIZCTEOSA-N 1 0 265.397 2.386 10 0 CEAERO CC[NH2+][C@](C)(CO)COc1ccc2c(c1)CCCC2 ZINC000085267250 178997209 /nfs/dbraw/zinc/99/72/09/178997209.db2.gz JAYMATGOEOZUSG-MRXNPFEDSA-N 1 0 263.381 2.305 10 0 CEAERO CCC[NH2+][C@](C)(CO)CCOc1ccc(F)c(F)c1 ZINC000085286738 179003965 /nfs/dbraw/zinc/00/39/65/179003965.db2.gz ZAGRIBPAMFMAKU-AWEZNQCLSA-N 1 0 273.323 2.484 10 0 CEAERO C[NH2+][C@H](CO)COc1ccc(C(C)(C)C)cc1C ZINC000085286584 179004099 /nfs/dbraw/zinc/00/40/99/179004099.db2.gz AVKSDZASZFYNKC-CYBMUJFWSA-N 1 0 251.370 2.252 10 0 CEAERO C[NH2+][C@@](C)(CO)C[C@H](C)Oc1ccc(F)c(F)c1 ZINC000085286750 179004234 /nfs/dbraw/zinc/00/42/34/179004234.db2.gz UTPAFJUMUDYFRE-TVQRCGJNSA-N 1 0 259.296 2.093 10 0 CEAERO Cc1cc(C)c(C)c(OC[C@H](CO)[NH2+]C(C)C)c1 ZINC000085286123 179004243 /nfs/dbraw/zinc/00/42/43/179004243.db2.gz PQIXGWSGKSMHLB-AWEZNQCLSA-N 1 0 251.370 2.350 10 0 CEAERO C[NH2+][C@@](CO)(COC1C[C@H](C)C[C@@H](C)C1)C1CC1 ZINC000085287443 179004618 /nfs/dbraw/zinc/00/46/18/179004618.db2.gz YKVUXKNBIFZKGD-JMSVASOKSA-N 1 0 255.402 2.188 10 0 CEAERO Cc1cc(S[C@@H](C)C[C@](C)(CO)[NH2+]C(C)C)n(C)n1 ZINC000085289491 179005889 /nfs/dbraw/zinc/00/58/89/179005889.db2.gz KAMSDRYGJAYVIY-GXTWGEPZSA-N 1 0 285.457 2.348 10 0 CEAERO COCCCS[C@@H](C)C[C@@](C)(CO)[NH2+]C1CC1 ZINC000085290014 179006002 /nfs/dbraw/zinc/00/60/02/179006002.db2.gz OETCPMCRHKXTAF-AAEUAGOBSA-N 1 0 261.431 2.038 10 0 CEAERO COCCCS[C@H](C)C[C@](C)(CO)[NH2+]C1CC1 ZINC000085290019 179006247 /nfs/dbraw/zinc/00/62/47/179006247.db2.gz OETCPMCRHKXTAF-DGCLKSJQSA-N 1 0 261.431 2.038 10 0 CEAERO CC[NH2+][C@](C)(CO)CSc1nc2ccccc2o1 ZINC000085292461 179007652 /nfs/dbraw/zinc/00/76/52/179007652.db2.gz ZDJSWXDENXIEST-CYBMUJFWSA-N 1 0 266.366 2.280 10 0 CEAERO C[C@@]([NH3+])(CO)CCSc1nc2ccccc2o1 ZINC000085292415 179007778 /nfs/dbraw/zinc/00/77/78/179007778.db2.gz FATZSSGGKAGAIW-LBPRGKRZSA-N 1 0 252.339 2.020 10 0 CEAERO C[NH2+][C@@](CO)(CSc1nc2ccccc2o1)C1CC1 ZINC000085292458 179007800 /nfs/dbraw/zinc/00/78/00/179007800.db2.gz JSQDSIUVBBDNCO-AWEZNQCLSA-N 1 0 278.377 2.280 10 0 CEAERO C[NH2+][C@](C)(CO)CCCCSc1nnc(C)s1 ZINC000085297095 179008255 /nfs/dbraw/zinc/00/82/55/179008255.db2.gz JGCWFJKNXCLWCR-NSHDSACASA-N 1 0 275.443 2.079 10 0 CEAERO CCC[NH2+][C@](CO)(CSc1nnc(C)s1)C1CC1 ZINC000085297110 179008328 /nfs/dbraw/zinc/00/83/28/179008328.db2.gz HYGKFMPXQGSRGO-GFCCVEGCSA-N 1 0 287.454 2.079 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)C[C@H](C)Sc1nccn1C ZINC000085299129 179009078 /nfs/dbraw/zinc/00/90/78/179009078.db2.gz MABFPGPQZFFCGG-AAEUAGOBSA-N 1 0 271.430 2.040 10 0 CEAERO CC[NH2+][C@@H](CO)CSc1nc2ccccc2s1 ZINC000085298715 179009386 /nfs/dbraw/zinc/00/93/86/179009386.db2.gz LUMNUNWPULYUFP-VIFPVBQESA-N 1 0 268.407 2.359 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCCCSc1cnn(C)c1 ZINC000085297691 179009405 /nfs/dbraw/zinc/00/94/05/179009405.db2.gz KDUFEUXSSOLHRN-CYBMUJFWSA-N 1 0 271.430 2.043 10 0 CEAERO Cc1ccc(OC[C@](C)(CO)[NH2+]C(C)C)cc1C ZINC000085284680 179002865 /nfs/dbraw/zinc/00/28/65/179002865.db2.gz WMHCVXZLVOGECG-HNNXBMFYSA-N 1 0 251.370 2.431 10 0 CEAERO C[C@@](O)(C[NH3+])CCCOCCCc1ccccc1 ZINC000085305232 179012161 /nfs/dbraw/zinc/01/21/61/179012161.db2.gz QCVLOVLVMRRESQ-HNNXBMFYSA-N 1 0 251.370 2.126 10 0 CEAERO C[C@](O)(C[NH3+])CCOc1ccccc1C(F)(F)F ZINC000085306351 179012511 /nfs/dbraw/zinc/01/25/11/179012511.db2.gz GJOWANCGFVOYDU-LLVKDONJSA-N 1 0 263.259 2.184 10 0 CEAERO C[C@H](C[C@](C)(O)C[NH3+])Sc1nc2ccccc2o1 ZINC000085308650 179013212 /nfs/dbraw/zinc/01/32/12/179013212.db2.gz QAQRAPJRTUYQKX-RNCFNFMXSA-N 1 0 266.366 2.408 10 0 CEAERO C[C@@H](C[C@@](C)(O)C[NH3+])Sc1nc2ccccc2[nH]1 ZINC000085308483 179013288 /nfs/dbraw/zinc/01/32/88/179013288.db2.gz MMXZZXYYPRJCQA-TVQRCGJNSA-N 1 0 265.382 2.143 10 0 CEAERO COc1ccc(SCCC[C@@](C)(O)C[NH3+])cc1 ZINC000085308541 179013347 /nfs/dbraw/zinc/01/33/47/179013347.db2.gz OQWAAQRTRSTOOV-CYBMUJFWSA-N 1 0 255.383 2.277 10 0 CEAERO COc1cc2nc([C@@H]3CCC[C@@H]3[NH3+])[nH]c2cc1OC ZINC000085321817 179015438 /nfs/dbraw/zinc/01/54/38/179015438.db2.gz HSKUYWHJOOPEPZ-BDAKNGLRSA-N 1 0 261.325 2.175 10 0 CEAERO COc1cc2nc([C@H]3CCC[C@@H]3[NH3+])[nH]c2cc1OC ZINC000085321818 179015508 /nfs/dbraw/zinc/01/55/08/179015508.db2.gz HSKUYWHJOOPEPZ-IUCAKERBSA-N 1 0 261.325 2.175 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1c1nnc2ccc(C(F)(F)F)cn21 ZINC000085324973 179017894 /nfs/dbraw/zinc/01/78/94/179017894.db2.gz JLZTZDQSQWLBPQ-IUCAKERBSA-N 1 0 270.258 2.343 10 0 CEAERO C[N@H+](CCCF)C[C@@H](c1cccs1)N1CCOCC1 ZINC000128887044 365809206 /nfs/dbraw/zinc/80/92/06/365809206.db2.gz HVMPFIXHRHGEMG-ZDUSSCGKSA-N 1 0 286.416 2.413 10 0 CEAERO COc1cccc(COC(=O)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000085330982 179020679 /nfs/dbraw/zinc/02/06/79/179020679.db2.gz SMZYFGCXOZQBJZ-UONOGXRCSA-N 1 0 263.337 2.256 10 0 CEAERO COc1cc(OC)c(NC(=O)[C@@H]2CCC[C@H]2[NH3+])cc1Cl ZINC000085356106 179030334 /nfs/dbraw/zinc/03/03/34/179030334.db2.gz BCFMUXUTARZPJL-PSASIEDQSA-N 1 0 298.770 2.423 10 0 CEAERO CC(C)C(=O)Nc1ccc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000085360886 179033052 /nfs/dbraw/zinc/03/30/52/179033052.db2.gz JYAJTRIGQZYJFX-KBPBESRZSA-N 1 0 289.379 2.347 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)Nc1cccnc1Cl ZINC000085361531 179033456 /nfs/dbraw/zinc/03/34/56/179033456.db2.gz BYALBLUULCTBRE-DTWKUNHWSA-N 1 0 253.733 2.191 10 0 CEAERO C[C@@H](Cc1cccs1)NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085361759 179033603 /nfs/dbraw/zinc/03/36/03/179033603.db2.gz JQVMGWMVGKCQOD-DRZSPHRISA-N 1 0 266.410 2.313 10 0 CEAERO Ic1cnc([C@@H]2CCC[NH2+]2)s1 ZINC000085352037 179029895 /nfs/dbraw/zinc/02/98/95/179029895.db2.gz UQQLXOHUGLLGJY-YFKPBYRVSA-N 1 0 280.134 2.172 10 0 CEAERO C[C@@H](NC(=O)[C@H]1CCC[C@@H]1[NH3+])c1ccccc1F ZINC000085365456 179036731 /nfs/dbraw/zinc/03/67/31/179036731.db2.gz VSMMYXOURNDGIH-CDMKHQONSA-N 1 0 250.317 2.130 10 0 CEAERO Cc1nn(C(C)C)c(C)c1NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085366364 179036936 /nfs/dbraw/zinc/03/69/36/179036936.db2.gz OACZULNIPPJOCM-NEPJUHHUSA-N 1 0 264.373 2.147 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)N(Cc1ccncc1)C1CC1 ZINC000085367593 179037692 /nfs/dbraw/zinc/03/76/92/179037692.db2.gz XXKDQLKMXMFDPB-GJZGRUSLSA-N 1 0 273.380 2.090 10 0 CEAERO Cc1ccsc1CN(C)C(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085367949 179037715 /nfs/dbraw/zinc/03/77/15/179037715.db2.gz AVNUSBVODREVDG-WDEREUQCSA-N 1 0 252.383 2.142 10 0 CEAERO COc1cccc([C@@H]2CCCN2C(=O)[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000085367636 179037838 /nfs/dbraw/zinc/03/78/38/179037838.db2.gz MBXFVDWAGYFIPA-JYJNAYRXSA-N 1 0 288.391 2.486 10 0 CEAERO CC[C@@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])c1cccs1 ZINC000085372654 179042194 /nfs/dbraw/zinc/04/21/94/179042194.db2.gz BZEWINNCAORIPY-OUAUKWLOSA-N 1 0 252.383 2.443 10 0 CEAERO C[C@H](Cc1ccc(F)cc1)NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085374699 179043515 /nfs/dbraw/zinc/04/35/15/179043515.db2.gz RGVDFXDKACYNHR-UGFHNGPFSA-N 1 0 278.371 2.390 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)NCc1cc(F)ccc1F ZINC000085375631 179044086 /nfs/dbraw/zinc/04/40/86/179044086.db2.gz SEPDBRILVABYKZ-AAEUAGOBSA-N 1 0 268.307 2.099 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]CCC(=O)N(CC)CC)C1(C)C ZINC000085385311 179046355 /nfs/dbraw/zinc/04/63/55/179046355.db2.gz JBZSDIBKDJCHTK-CHWSQXEVSA-N 1 0 270.417 2.038 10 0 CEAERO C[C@H](Cc1c(F)cccc1F)NC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085365792 179036339 /nfs/dbraw/zinc/03/63/39/179036339.db2.gz QUTPSQFDHVQERX-BFVZDQMLSA-N 1 0 282.334 2.139 10 0 CEAERO COCCOc1cccc(NC(=O)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000085365864 179036419 /nfs/dbraw/zinc/03/64/19/179036419.db2.gz PZYCDLBPJSLPBK-LSDHHAIUSA-N 1 0 292.379 2.168 10 0 CEAERO C[C@H](Cc1c(F)cccc1F)NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085365789 179036530 /nfs/dbraw/zinc/03/65/30/179036530.db2.gz QUTPSQFDHVQERX-RULNRJAQSA-N 1 0 282.334 2.139 10 0 CEAERO Cc1nc(Cl)c(C)c(N2CCC([NH+](C)C)CC2)n1 ZINC000111296465 136532094 /nfs/dbraw/zinc/53/20/94/136532094.db2.gz YJYWKXAXAFHXFW-UHFFFAOYSA-N 1 0 268.792 2.277 10 0 CEAERO OCCn1cc(C[NH2+][C@@H]2CCCc3sccc32)cn1 ZINC000085433990 179061150 /nfs/dbraw/zinc/06/11/50/179061150.db2.gz RWSMLNNRBKGNLC-CYBMUJFWSA-N 1 0 277.393 2.104 10 0 CEAERO CC[C@@H]1CN(Cc2ccn(C3CCCC3)n2)CC[NH2+]1 ZINC000085434591 179061376 /nfs/dbraw/zinc/06/13/76/179061376.db2.gz GWYHTZOXYZBNGP-CYBMUJFWSA-N 1 0 262.401 2.182 10 0 CEAERO CC[NH2+]Cc1c2ccccc2oc1COC1COC1 ZINC000098059668 185679890 /nfs/dbraw/zinc/67/98/90/185679890.db2.gz XFUJFQRXHODGTK-UHFFFAOYSA-N 1 0 261.321 2.458 10 0 CEAERO C[C@H]1CN(C(=O)c2ccccc2C(F)(F)F)C[C@@H]1[NH3+] ZINC000235666242 290783463 /nfs/dbraw/zinc/78/34/63/290783463.db2.gz DVVQCKWKCXTLQV-KWQFWETISA-N 1 0 272.270 2.125 10 0 CEAERO C[C@@H](OCc1[nH+]c(NN)ccc1Cl)C(F)(F)F ZINC000085423056 179059382 /nfs/dbraw/zinc/05/93/82/179059382.db2.gz BDSJWPOIUWCLHD-RXMQYKEDSA-N 1 0 269.654 2.488 10 0 CEAERO C[C@@H]1CN(CC(F)F)[C@@](C)(c2ccccc2)C[NH2+]1 ZINC000085454540 179068269 /nfs/dbraw/zinc/06/82/69/179068269.db2.gz JGESVNXAHOLKHB-BXUZGUMPSA-N 1 0 254.324 2.461 10 0 CEAERO CCn1cc(CN2C[C@H](C)[NH2+]CC23CCCC3)cn1 ZINC000085454420 179067970 /nfs/dbraw/zinc/06/79/70/179067970.db2.gz MFNJSPFFEYILLU-ZDUSSCGKSA-N 1 0 262.401 2.010 10 0 CEAERO CCN(Cc1ccccc1)c1nnc(CC[NH3+])s1 ZINC000098130807 185691827 /nfs/dbraw/zinc/69/18/27/185691827.db2.gz CIKMFFPKQZMPSR-UHFFFAOYSA-N 1 0 262.382 2.066 10 0 CEAERO CC[C@H]1CN(Cc2ccccn2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085475100 179079187 /nfs/dbraw/zinc/07/91/87/179079187.db2.gz HNZPUBNACASMAD-GOEBONIOSA-N 1 0 259.397 2.434 10 0 CEAERO CC[C@@H]1CN[C@@](C)(CC)C[N@@H+]1CCCn1ccnc1 ZINC000085494457 179082235 /nfs/dbraw/zinc/08/22/35/179082235.db2.gz TVZQJTGKADJFBP-CABCVRRESA-N 1 0 264.417 2.126 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](CC(C)C)CN1Cc1ncccn1 ZINC000085487269 179081088 /nfs/dbraw/zinc/08/10/88/179081088.db2.gz TWPYAWHQQOQTCN-ZIAGYGMSSA-N 1 0 262.401 2.075 10 0 CEAERO CC[C@H]1C[NH2+][C@H](CC(C)C)CN1C[C@@H]1CCCO1 ZINC000085487331 179081578 /nfs/dbraw/zinc/08/15/78/179081578.db2.gz MPKQJUHDWDCMTJ-ILXRZTDVSA-N 1 0 254.418 2.264 10 0 CEAERO C[C@H]1C[NH2+][C@@H](Cc2ccccc2)CN1CC(F)F ZINC000085489124 179081600 /nfs/dbraw/zinc/08/16/00/179081600.db2.gz KRPYSCUEBXDQEL-AAEUAGOBSA-N 1 0 254.324 2.157 10 0 CEAERO COCCC[N@@H+]1CC(C)(C)NC[C@H]1c1ccccc1 ZINC000085470896 179075866 /nfs/dbraw/zinc/07/58/66/179075866.db2.gz IBRRCGDYEHHXSG-HNNXBMFYSA-N 1 0 262.397 2.448 10 0 CEAERO CC1(C)C[N@H+](C[C@@H]2CCCCO2)[C@@](C)(C2CC2)CN1 ZINC000085471602 179076155 /nfs/dbraw/zinc/07/61/55/179076155.db2.gz SPYIRQBLJKCUFT-GOEBONIOSA-N 1 0 266.429 2.408 10 0 CEAERO CCC1(CC)CNC(C)(C)C[N@@H+]1CCn1cccn1 ZINC000085471350 179076234 /nfs/dbraw/zinc/07/62/34/179076234.db2.gz APQCHIASPYQFFL-UHFFFAOYSA-N 1 0 264.417 2.126 10 0 CEAERO CCC[C@H]1CN[C@@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085511489 179085376 /nfs/dbraw/zinc/08/53/76/179085376.db2.gz NIELSCJAZOLIOR-HRCADAONSA-N 1 0 266.429 2.408 10 0 CEAERO CO[C@H]1CCC[C@@H]([N@@H+]2C[C@](C)(C3CC3)NC[C@@H]2C)C1 ZINC000085509353 179085580 /nfs/dbraw/zinc/08/55/80/179085580.db2.gz CWEKWOBVCKDBIM-DRPJVOAASA-N 1 0 266.429 2.406 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1CCn1cccn1 ZINC000085511422 179085873 /nfs/dbraw/zinc/08/58/73/179085873.db2.gz WDBONMXJXYSRFS-HZPDHXFCSA-N 1 0 276.428 2.126 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C2CC2)CN1Cc1cn2ccccc2n1 ZINC000085522949 179088780 /nfs/dbraw/zinc/08/87/80/179088780.db2.gz GVQXRBYPMOACTO-CVEARBPZSA-N 1 0 284.407 2.297 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@](C)(C2CC2)CN1CCn1ccnc1C ZINC000085515086 179086366 /nfs/dbraw/zinc/08/63/66/179086366.db2.gz WOESXCBCIFENQW-IRXDYDNUSA-N 1 0 290.455 2.434 10 0 CEAERO CC1(C)C[NH2+][C@](C)(C2CC2)CN1CC(F)(F)F ZINC000085514683 179086490 /nfs/dbraw/zinc/08/64/90/179086490.db2.gz SWBSVKITZWPWPJ-NSHDSACASA-N 1 0 250.308 2.401 10 0 CEAERO CC1(C)CN[C@](C)(C2CC2)C[N@@H+]1CC1CCOCC1 ZINC000085514723 179086533 /nfs/dbraw/zinc/08/65/33/179086533.db2.gz ASGCUDYZKGELJS-INIZCTEOSA-N 1 0 266.429 2.266 10 0 CEAERO CC[C@@H]1C[NH2+]C(CC)(CC)CN1CCn1cccn1 ZINC000085517468 179087267 /nfs/dbraw/zinc/08/72/67/179087267.db2.gz SZBWMPZJOGXFEM-CQSZACIVSA-N 1 0 264.417 2.126 10 0 CEAERO CCC[C@H]1C[NH2+][C@@H](C2CC2)CN1Cc1cccnc1 ZINC000085523880 179088713 /nfs/dbraw/zinc/08/87/13/179088713.db2.gz DUUKBEQOJIVLCM-JKSUJKDBSA-N 1 0 259.397 2.434 10 0 CEAERO CC[C@@]1(C)C[N@H+](C[C@@H]2CCCO2)[C@@](C)(CC)CN1 ZINC000085496739 179083897 /nfs/dbraw/zinc/08/38/97/179083897.db2.gz ZYSVGXFNMLLZMO-KKUMJFAQSA-N 1 0 254.418 2.408 10 0 CEAERO CC[C@@H]1CN[C@@H](c2ccccc2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085505522 179084017 /nfs/dbraw/zinc/08/40/17/179084017.db2.gz ZQWPDMGQHXDUBZ-USXIJHARSA-N 1 0 274.408 2.448 10 0 CEAERO CCn1cc(CN2C[C@H](C3CC3)[NH2+]C[C@@H]2C(C)C)cn1 ZINC000085524463 179088944 /nfs/dbraw/zinc/08/89/44/179088944.db2.gz NZKKVBYZXRZYJW-HZPDHXFCSA-N 1 0 276.428 2.111 10 0 CEAERO CC(C)(C)[C@@H]1C[NH2+][C@@H](C2CC2)CN1Cc1ncccn1 ZINC000085526766 179089393 /nfs/dbraw/zinc/08/93/93/179089393.db2.gz VYDYOYVVMAMLBC-KGLIPLIRSA-N 1 0 274.412 2.075 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@@H](C2CC2)CN1Cc1ccccn1 ZINC000085528423 179090713 /nfs/dbraw/zinc/09/07/13/179090713.db2.gz ICJAQLOHMZJNSK-CVEARBPZSA-N 1 0 259.397 2.434 10 0 CEAERO COCC[N@@H+]1C[C@](C)(c2ccccc2)NCC1(C)C ZINC000085532581 179091385 /nfs/dbraw/zinc/09/13/85/179091385.db2.gz JCOHDYHJDGEBBO-MRXNPFEDSA-N 1 0 262.397 2.232 10 0 CEAERO C[C@]1(C2CC2)CN[C@@H](C2CC2)C[N@@H+]1CCCn1ccnc1 ZINC000085529332 179091861 /nfs/dbraw/zinc/09/18/61/179091861.db2.gz WISYGTCZQQGSGF-IAGOWNOFSA-N 1 0 288.439 2.126 10 0 CEAERO C[C@H]1C[NH2+][C@@H](C2CCCCC2)CN1[C@@H]1CCOC1 ZINC000085529689 179091901 /nfs/dbraw/zinc/09/19/01/179091901.db2.gz NEYBGSFNXFRBHZ-NWANDNLSSA-N 1 0 252.402 2.018 10 0 CEAERO FC(F)(F)CCCCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128965448 365813177 /nfs/dbraw/zinc/81/31/77/365813177.db2.gz QRGZXTWJWPFKTJ-LLVKDONJSA-N 1 0 250.308 2.499 10 0 CEAERO CC[NH2+][C@](C)(CCCOc1cc(C)ccc1F)C(N)=O ZINC000085560695 179094801 /nfs/dbraw/zinc/09/48/01/179094801.db2.gz RKPNNGBWCXCOQE-OAHLLOKOSA-N 1 0 282.359 2.147 10 0 CEAERO CC(C)c1ncc(Cl)c(C(=O)N2CC[C@@H]([NH+](C)C)C2)n1 ZINC000062969380 362738199 /nfs/dbraw/zinc/73/81/99/362738199.db2.gz OYBQYXGSRZIZSM-SNVBAGLBSA-N 1 0 296.802 2.030 10 0 CEAERO CCOc1ccc(OCC)c(-n2cnc3c2CC[NH2+]C3)c1 ZINC000085567106 179095526 /nfs/dbraw/zinc/09/55/26/179095526.db2.gz QERZAFMDKAPXHL-UHFFFAOYSA-N 1 0 287.363 2.315 10 0 CEAERO CCc1nc2c(n1-c1ccc(F)c(F)c1F)CC[NH2+]C2 ZINC000085568865 179095705 /nfs/dbraw/zinc/09/57/05/179095705.db2.gz WHKUVXSIHRTRSB-UHFFFAOYSA-N 1 0 281.281 2.498 10 0 CEAERO CCCc1nc2c(n1[C@H](C)[C@H]1CCCO1)CC[NH2+]C2 ZINC000085570151 179096174 /nfs/dbraw/zinc/09/61/74/179096174.db2.gz ILVBRTXTKNZSOR-BXUZGUMPSA-N 1 0 263.385 2.221 10 0 CEAERO CC(C)c1nc2c(n1[C@@H]1CCCC[C@H]1O)CC[NH2+]C2 ZINC000085571300 179096991 /nfs/dbraw/zinc/09/69/91/179096991.db2.gz JHRZNOBDFNTYCP-ZIAGYGMSSA-N 1 0 263.385 2.128 10 0 CEAERO CCc1nc2c(n1CCOC1CCCC1)CC[NH2+]C2 ZINC000085571695 179097437 /nfs/dbraw/zinc/09/74/37/179097437.db2.gz GDFDWFDQGKTZCX-UHFFFAOYSA-N 1 0 263.385 2.050 10 0 CEAERO C[C@H]1CC[NH2+][C@](C)(C2CC2)CN1Cc1cccnc1 ZINC000085623951 179106881 /nfs/dbraw/zinc/10/68/81/179106881.db2.gz IFZUEWFNKWXDSI-BBRMVZONSA-N 1 0 259.397 2.434 10 0 CEAERO C[C@@H]1CC[NH2+][C@@](C)(C2CC2)CN1CC(F)(F)F ZINC000085623849 179107001 /nfs/dbraw/zinc/10/70/01/179107001.db2.gz MGBRFRBXWZGYGA-MWLCHTKSSA-N 1 0 250.308 2.401 10 0 CEAERO C[C@@H]1CCN[C@H](C(C)(C)C)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085624684 179107111 /nfs/dbraw/zinc/10/71/11/179107111.db2.gz YFOFXWRBNIHCCA-RDBSUJKOSA-N 1 0 254.418 2.121 10 0 CEAERO COCCCn1c2c(nc1-c1ccccc1)C[NH2+]CC2 ZINC000085606197 179100568 /nfs/dbraw/zinc/10/05/68/179100568.db2.gz KZPCFQNKRUFJLJ-UHFFFAOYSA-N 1 0 271.364 2.232 10 0 CEAERO CC[C@H](C)[C@@H]1CN(Cc2cccc(OC)n2)CCC[NH2+]1 ZINC000085609364 179100788 /nfs/dbraw/zinc/10/07/88/179100788.db2.gz WPEIKAYQYVQRDP-ZFWWWQNUSA-N 1 0 277.412 2.300 10 0 CEAERO [NH3+]Cc1cnn(Cc2cc(Br)cs2)c1 ZINC000063169677 362754281 /nfs/dbraw/zinc/75/42/81/362754281.db2.gz IZMUZJUWLNDGKY-UHFFFAOYSA-N 1 0 272.171 2.214 10 0 CEAERO C[C@@H]1CN(Cc2ccc3ccccc3n2)CCC[NH2+]1 ZINC000085610182 179101928 /nfs/dbraw/zinc/10/19/28/179101928.db2.gz HKMPCWVNBFBHQU-CYBMUJFWSA-N 1 0 255.365 2.419 10 0 CEAERO CC[C@]1(C)CN(Cc2cn3ccccc3n2)CCC[NH2+]1 ZINC000085617250 179103728 /nfs/dbraw/zinc/10/37/28/179103728.db2.gz XGVWIJXHSZQILH-MRXNPFEDSA-N 1 0 272.396 2.298 10 0 CEAERO CC[C@@]1(C)CN(Cc2cn3ccccc3n2)CCC[NH2+]1 ZINC000085617253 179104336 /nfs/dbraw/zinc/10/43/36/179104336.db2.gz XGVWIJXHSZQILH-INIZCTEOSA-N 1 0 272.396 2.298 10 0 CEAERO CO[C@@H]1CCC[C@H]([N@@H+]2CCCN[C@H](C3CC3)C2)C1 ZINC000085616375 179104370 /nfs/dbraw/zinc/10/43/70/179104370.db2.gz HPELTXITXHJFGJ-ZNMIVQPWSA-N 1 0 252.402 2.018 10 0 CEAERO CC(C)n1ccc(CN2C[C@H](C)[NH2+]CC[C@@H]2C)n1 ZINC000085620461 179105063 /nfs/dbraw/zinc/10/50/63/179105063.db2.gz QMHHHYLDBWNARC-STQMWFEESA-N 1 0 250.390 2.036 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H](C)CC2)C1 ZINC000063403279 362765898 /nfs/dbraw/zinc/76/58/98/362765898.db2.gz BOTBYRRZCWYDTK-KBPBESRZSA-N 1 0 267.417 2.302 10 0 CEAERO COc1cc(C[NH2+][C@H]2[C@@H]3CCCO[C@@H]3C2(C)C)ccn1 ZINC000085676514 179112346 /nfs/dbraw/zinc/11/23/46/179112346.db2.gz TZJDNRPHOVTYHQ-QEJZJMRPSA-N 1 0 276.380 2.383 10 0 CEAERO CCO[C@H]1C[C@H]([NH2+][C@@H](C)C(OC)OC)C12CCCC2 ZINC000085681654 179113622 /nfs/dbraw/zinc/11/36/22/179113622.db2.gz XEVLWLRORHGHOR-AVGNSLFASA-N 1 0 271.401 2.321 10 0 CEAERO C[C@@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CCCCC1 ZINC000085636199 179109499 /nfs/dbraw/zinc/10/94/99/179109499.db2.gz DCDYJQMQCFEGGE-XQLPTFJDSA-N 1 0 266.429 2.264 10 0 CEAERO C[C@H]1Cc2ccccc2N([C@@H](C[NH3+])[C@@H]2CCCOC2)C1 ZINC000111321317 136561215 /nfs/dbraw/zinc/56/12/15/136561215.db2.gz TWPHMZRTBZFKPK-LXZKKBNFSA-N 1 0 274.408 2.439 10 0 CEAERO CC[C@H]1COCCN1c1ccc(C[C@@H](C)[NH3+])cc1F ZINC000111494982 136562259 /nfs/dbraw/zinc/56/22/59/136562259.db2.gz YUBMCAFSODEBJC-YPMHNXCESA-N 1 0 266.360 2.331 10 0 CEAERO CCC[NH2+]C[C@H]1CCCN(c2cccc(OC)n2)C1 ZINC000111820486 136564892 /nfs/dbraw/zinc/56/48/92/136564892.db2.gz FBCLWHKHBYKIRL-CYBMUJFWSA-N 1 0 263.385 2.306 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H](SCC)C1 ZINC000236912613 370651529 /nfs/dbraw/zinc/65/15/29/370651529.db2.gz JSYVGZKRVUDIMV-UTUOFQBUSA-N 1 0 258.431 2.294 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@@](C)(O)C2CC2)c1C ZINC000336817438 365861126 /nfs/dbraw/zinc/86/11/26/365861126.db2.gz QIDKLMYFTFEHPF-ZUZCIYMTSA-N 1 0 265.401 2.331 10 0 CEAERO CCOc1ccccc1CCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000236915362 370653606 /nfs/dbraw/zinc/65/36/06/370653606.db2.gz NEDFWNOZCWOIDJ-LSDHHAIUSA-N 1 0 290.407 2.262 10 0 CEAERO CC(C)(C)C[C@@H](NC(=O)[C@]1([NH3+])CCOC1)c1ccccc1 ZINC000085869962 179192443 /nfs/dbraw/zinc/19/24/43/179192443.db2.gz UJQNOHMOTPMBQE-PBHICJAKSA-N 1 0 290.407 2.398 10 0 CEAERO CCc1ccc([C@H](NC(=O)[C@@]2([NH3+])CCOC2)C(C)C)cc1 ZINC000085912410 179197051 /nfs/dbraw/zinc/19/70/51/179197051.db2.gz RITAZBBROSPFPC-NVXWUHKLSA-N 1 0 290.407 2.180 10 0 CEAERO CC(C)CCN(CCC(C)C)C(=O)[C@]1([NH3+])CCOC1 ZINC000085876215 179195003 /nfs/dbraw/zinc/19/50/03/179195003.db2.gz DLSGUMIQUQWSBN-HNNXBMFYSA-N 1 0 270.417 2.025 10 0 CEAERO CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@]1([NH3+])CCOC1 ZINC000085876811 179195153 /nfs/dbraw/zinc/19/51/53/179195153.db2.gz BVLYZNPLTGMLOH-HNNXBMFYSA-N 1 0 296.798 2.195 10 0 CEAERO C[C@@H](C[NH3+])[C@]1(O)CCc2cc(Br)ccc2C1 ZINC000085902280 179195943 /nfs/dbraw/zinc/19/59/43/179195943.db2.gz BBHWGVIAXKLORN-ZANVPECISA-N 1 0 284.197 2.264 10 0 CEAERO CC[C@@](C)(C[NH3+])[C@@H](O)c1ccc(Br)o1 ZINC000085902580 179196256 /nfs/dbraw/zinc/19/62/56/179196256.db2.gz CRAQNBSHFZQZSO-UWVGGRQHSA-N 1 0 262.147 2.451 10 0 CEAERO CC(C)(C[NH3+])[C@H](O)c1ccc(Br)cc1 ZINC000085902650 179196412 /nfs/dbraw/zinc/19/64/12/179196412.db2.gz GZWRBJWNNKDQFT-SNVBAGLBSA-N 1 0 258.159 2.467 10 0 CEAERO C[C@@H](C[NH3+])[C@](C)(O)c1ccc(Br)cc1 ZINC000085899355 179196433 /nfs/dbraw/zinc/19/64/33/179196433.db2.gz HPCAUOKTMQGOKC-KWQFWETISA-N 1 0 258.159 2.251 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)CCC2 ZINC000085965117 179205479 /nfs/dbraw/zinc/20/54/79/179205479.db2.gz GRJTYQSJQMWJKI-HZPDHXFCSA-N 1 0 272.392 2.423 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1CNC(=O)Cc1ccc(F)cc1 ZINC000085966572 179206167 /nfs/dbraw/zinc/20/61/67/179206167.db2.gz IZRXHYGCXTUQOX-JSGCOSHPSA-N 1 0 264.344 2.002 10 0 CEAERO CCc1ccc(C(=O)NC[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000085967455 179206235 /nfs/dbraw/zinc/20/62/35/179206235.db2.gz HPVNTAVLCMLXKQ-HUUCEWRRSA-N 1 0 260.381 2.496 10 0 CEAERO COc1ccc(NC(=O)NC[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000085970421 179206607 /nfs/dbraw/zinc/20/66/07/179206607.db2.gz IQCZTFVNLZYKQV-SMDDNHRTSA-N 1 0 277.368 2.334 10 0 CEAERO CC(C)Oc1cncc(NC[C@H]2CCCC[C@H]2[NH3+])n1 ZINC000085975030 179208055 /nfs/dbraw/zinc/20/80/55/179208055.db2.gz AFVQITRGFGXTDW-VXGBXAGGSA-N 1 0 264.373 2.193 10 0 CEAERO CCC[NH2+][C@H](CCO)CN1CC[C@@H]2CCCC[C@@H]2C1 ZINC000085921832 179200138 /nfs/dbraw/zinc/20/01/38/179200138.db2.gz QLVRECYGURTQMV-ARFHVFGLSA-N 1 0 268.445 2.249 10 0 CEAERO [NH3+][C@@H](CCO)COc1ccc(-c2ccccc2)cc1 ZINC000085921413 179200225 /nfs/dbraw/zinc/20/02/25/179200225.db2.gz GSBLISGWTLYDRF-HNNXBMFYSA-N 1 0 257.333 2.442 10 0 CEAERO CC[NH2+][C@@H](CCO)CN(CC)c1ccccc1C ZINC000085921611 179200496 /nfs/dbraw/zinc/20/04/96/179200496.db2.gz TUFVAUIUMZVQKK-AWEZNQCLSA-N 1 0 250.386 2.182 10 0 CEAERO CC[NH2+][C@H](CCO)CN1CCC[C@H](C(C)(C)C)CC1 ZINC000085923223 179201339 /nfs/dbraw/zinc/20/13/39/179201339.db2.gz RFEDCHPPCXEOAF-LSDHHAIUSA-N 1 0 270.461 2.495 10 0 CEAERO C[C@H](O)CC[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000086014531 179215460 /nfs/dbraw/zinc/21/54/60/179215460.db2.gz WDLVBFATCWILDH-JOYOIKCWSA-N 1 0 277.286 2.099 10 0 CEAERO CC(C)c1ccc([C@@H](O)C[NH2+]CC[C@H](C)O)cc1 ZINC000085990237 179213506 /nfs/dbraw/zinc/21/35/06/179213506.db2.gz IDAMHHFJCUVKAK-WFASDCNBSA-N 1 0 251.370 2.204 10 0 CEAERO CC(C)Cc1ccc([C@@H](O)C[NH2+]CC[C@H](C)O)cc1 ZINC000085990225 179213610 /nfs/dbraw/zinc/21/36/10/179213610.db2.gz CRXQVAPNSSZVNZ-BBRMVZONSA-N 1 0 265.397 2.279 10 0 CEAERO C[C@H](O)CC[NH2+]C[C@@H](O)c1cc(Cl)ccc1Cl ZINC000085989696 179213642 /nfs/dbraw/zinc/21/36/42/179213642.db2.gz WSATYDGFHQSQDL-QPUJVOFHSA-N 1 0 278.179 2.387 10 0 CEAERO CC(C)Cc1ccc([C@@H](O)C[NH2+]CC[C@@H](C)O)cc1 ZINC000085990218 179213782 /nfs/dbraw/zinc/21/37/82/179213782.db2.gz CRXQVAPNSSZVNZ-CJNGLKHVSA-N 1 0 265.397 2.279 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CC[C@@H]1Sc1nnc2n1CCCCC2 ZINC000086044588 179223012 /nfs/dbraw/zinc/22/30/12/179223012.db2.gz ZMLQRGSVPUKLMJ-VWYCJHECSA-N 1 0 266.414 2.222 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000086066361 179223975 /nfs/dbraw/zinc/22/39/75/179223975.db2.gz HYTSPPUEFMBAKU-SFYZADRCSA-N 1 0 260.790 2.434 10 0 CEAERO C[C@H]1[C@H](NC(=O)Cc2ccc(C[NH3+])cc2)CC[C@@H]1C ZINC000086068858 179224198 /nfs/dbraw/zinc/22/41/98/179224198.db2.gz LOGHDZZINVZWAR-YWPYICTPSA-N 1 0 260.381 2.239 10 0 CEAERO C[C@@H]1CC[C@H]([NH2+]Cc2nnnn2-c2ccccc2)[C@@H]1C ZINC000086076816 179225822 /nfs/dbraw/zinc/22/58/22/179225822.db2.gz NNKBBAHLYXNTSX-BZPMIXESSA-N 1 0 271.368 2.187 10 0 CEAERO [NH3+][C@@H](c1cc(Cl)ccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000086020261 179218115 /nfs/dbraw/zinc/21/81/15/179218115.db2.gz JYKGUWLCPPISNZ-WRWORJQWSA-N 1 0 294.203 2.428 10 0 CEAERO C[NH2+][C@H](c1cc(C)sc1C)[C@H]1CCS(=O)(=O)C1 ZINC000086020642 179218191 /nfs/dbraw/zinc/21/81/91/179218191.db2.gz VQKSHAPJVRXGKB-JQWIXIFHSA-N 1 0 273.423 2.060 10 0 CEAERO CCOc1ccc(C)cc1[C@H]([NH2+]C)[C@H]1CCS(=O)(=O)C1 ZINC000086022541 179218409 /nfs/dbraw/zinc/21/84/09/179218409.db2.gz TWDZSXOJBPHXOX-SWLSCSKDSA-N 1 0 297.420 2.089 10 0 CEAERO CC[NH2+][C@H](c1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000086021232 179218662 /nfs/dbraw/zinc/21/86/62/179218662.db2.gz FNTQKKQOKGQCGX-KCJUWKMLSA-N 1 0 293.841 2.487 10 0 CEAERO Cc1cc([C@@H]([NH3+])[C@@H]2CCS(=O)(=O)C2)c(C)cc1Cl ZINC000086023048 179218671 /nfs/dbraw/zinc/21/86/71/179218671.db2.gz LWECSSASPYOUMF-MFKMUULPSA-N 1 0 287.812 2.391 10 0 CEAERO CC[NH2+][C@@H](c1cc(C)ccc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000086021984 179218689 /nfs/dbraw/zinc/21/86/89/179218689.db2.gz DTILVXLOEVITHJ-IUODEOHRSA-N 1 0 297.420 2.089 10 0 CEAERO CCOc1ccc(C)cc1[C@@H]([NH2+]C)[C@H]1CCS(=O)(=O)C1 ZINC000086022547 179218816 /nfs/dbraw/zinc/21/88/16/179218816.db2.gz TWDZSXOJBPHXOX-WFASDCNBSA-N 1 0 297.420 2.089 10 0 CEAERO CC[C@H]1CC[C@H]([NH2+]CC(=O)N(CC)C2CC2)[C@@H]1C ZINC000086096285 179229724 /nfs/dbraw/zinc/22/97/24/179229724.db2.gz YEZBIWMLYHGRMP-DYEKYZERSA-N 1 0 252.402 2.412 10 0 CEAERO C[C@H]([C@@H]1CCCO1)[N@@H+]1CCN[C@@](C)(c2ccccc2)C1 ZINC000086127727 179235942 /nfs/dbraw/zinc/23/59/42/179235942.db2.gz QZSYZHYYROKBPN-HYVNUMGLSA-N 1 0 274.408 2.375 10 0 CEAERO CCn1cc(N2CC[NH2+][C@@H](c3ccccc3)C2)cn1 ZINC000086127959 179236067 /nfs/dbraw/zinc/23/60/67/179236067.db2.gz FMEBXVVEEFGWKK-OAHLLOKOSA-N 1 0 256.353 2.054 10 0 CEAERO CC[C@@]1(C)CN(CCOc2cccc(C)c2)CC[NH2+]1 ZINC000086145305 179238166 /nfs/dbraw/zinc/23/81/66/179238166.db2.gz YZWWZEZKUAPOMF-INIZCTEOSA-N 1 0 262.397 2.448 10 0 CEAERO CC[C@H]1CC[C@H](NC(=O)COc2ccc(C[NH3+])cc2)[C@@H]1C ZINC000086082847 179228414 /nfs/dbraw/zinc/22/84/14/179228414.db2.gz CVJCNOFCZVZZLR-INWMFGNUSA-N 1 0 290.407 2.465 10 0 CEAERO CC[C@H]1CC[C@H]([NH2+]CC(=O)NC2CCCC2)[C@@H]1C ZINC000086095894 179229524 /nfs/dbraw/zinc/22/95/24/179229524.db2.gz GKKWLIOHDQRMDL-DYEKYZERSA-N 1 0 252.402 2.460 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(c2cnn(C(C)C)c2)CC[NH2+]1 ZINC000086148260 179239922 /nfs/dbraw/zinc/23/99/22/179239922.db2.gz SDRLGHDHAQYVDY-OCCSQVGLSA-N 1 0 250.390 2.288 10 0 CEAERO C[C@]1(c2ccccc2)CN(Cc2cscn2)CC[NH2+]1 ZINC000086149429 179240513 /nfs/dbraw/zinc/24/05/13/179240513.db2.gz BWTRNNHOEKBKJT-OAHLLOKOSA-N 1 0 273.405 2.464 10 0 CEAERO CCn1cc(N2C[C@H](Cc3ccccc3)[NH2+]C[C@@H]2C)cn1 ZINC000086154310 179241525 /nfs/dbraw/zinc/24/15/25/179241525.db2.gz YUOGQPKYTGMSBI-HOCLYGCPSA-N 1 0 284.407 2.312 10 0 CEAERO Cc1ncc(CN2C[C@@H](C)[NH2+]C[C@@H]2C(C)C)s1 ZINC000086173020 179244064 /nfs/dbraw/zinc/24/40/64/179244064.db2.gz NVBQFWSRMGTVME-ZWNOBZJWSA-N 1 0 253.415 2.270 10 0 CEAERO Cc1ncc(CN2C[C@@H](C(C)C)[NH2+]C[C@@H]2C)s1 ZINC000086173014 179244561 /nfs/dbraw/zinc/24/45/61/179244561.db2.gz NWJMIYTVTOYOQU-GWCFXTLKSA-N 1 0 253.415 2.270 10 0 CEAERO CC[C@@H]1CN[C@@H](C(C)C)C[N@@H+]1[C@@H]1CCC[C@@H]1OC ZINC000086174367 179245520 /nfs/dbraw/zinc/24/55/20/179245520.db2.gz FLPBHLWQBGVHBA-TUVASFSCSA-N 1 0 254.418 2.262 10 0 CEAERO CC[C@H](C)[C@H]1CN(Cc2cnc(C)cn2)[C@@H](CC)C[NH2+]1 ZINC000086174977 179245556 /nfs/dbraw/zinc/24/55/56/179245556.db2.gz GQJQNHVGKMBJQZ-VBNZEHGJSA-N 1 0 276.428 2.384 10 0 CEAERO CO[C@@H]1CCC[C@H]1N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000086177638 179246722 /nfs/dbraw/zinc/24/67/22/179246722.db2.gz LNRYEPXNFBHWHJ-BZUAXINKSA-N 1 0 260.381 2.200 10 0 CEAERO CCOC[C@@H](C)[N@@H+]1CCN[C@@](C)(c2ccccc2)C1 ZINC000086146012 179238889 /nfs/dbraw/zinc/23/88/89/179238889.db2.gz ZTPZRWXMKFBXJY-GDBMZVCRSA-N 1 0 262.397 2.232 10 0 CEAERO Cc1cc(CN2CC[NH2+][C@](C)(c3ccccc3)C2)no1 ZINC000086146035 179239179 /nfs/dbraw/zinc/23/91/79/179239179.db2.gz ICGIJYNPPCFEGN-INIZCTEOSA-N 1 0 271.364 2.304 10 0 CEAERO Cc1cc(CN2CC[NH2+][C@@H](C3CCCCC3)C2)no1 ZINC000086146055 179239273 /nfs/dbraw/zinc/23/92/73/179239273.db2.gz ZTPXYDGXGAKEAA-OAHLLOKOSA-N 1 0 263.385 2.337 10 0 CEAERO COc1ccc(CN2CC[NH2+][C@@H](c3ccccc3)C2)cn1 ZINC000086148623 179239514 /nfs/dbraw/zinc/23/95/14/179239514.db2.gz SDFLUIHMOFVWMQ-MRXNPFEDSA-N 1 0 283.375 2.237 10 0 CEAERO CC[C@H](C)[C@H]1CN(Cc2ccc3c(c2)OCO3)CC[NH2+]1 ZINC000086148222 179239820 /nfs/dbraw/zinc/23/98/20/179239820.db2.gz GZTZLJFPHHUVNZ-GXTWGEPZSA-N 1 0 276.380 2.235 10 0 CEAERO CCC[C@@H]1CN(C[C@@H]2Cc3ccccc3O2)CC[NH2+]1 ZINC000086146998 179239848 /nfs/dbraw/zinc/23/98/48/179239848.db2.gz HKQDYFZALUOCKS-CABCVRRESA-N 1 0 260.381 2.064 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1CCc1ccncc1 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CC[C@@H]1CN[C@@](C)(C2CC2)C[N@@H+]1[C@@H]1CCC[C@@H]1OC ZINC000086261315 179259853 /nfs/dbraw/zinc/25/98/53/179259853.db2.gz REDORSUYUSGWAP-LVQVYYBASA-N 1 0 266.429 2.406 10 0 CEAERO CC[C@H]1C[N@H+]([C@@H]2CCC[C@@H]2OC)[C@H](C(C)C)CN1 ZINC000086261376 179259952 /nfs/dbraw/zinc/25/99/52/179259952.db2.gz XQCOLXIZXRGKCY-XGUBFFRZSA-N 1 0 254.418 2.262 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C2CC2)CN1Cc1ccc2c(c1)OCO2 ZINC000086263410 179260593 /nfs/dbraw/zinc/26/05/93/179260593.db2.gz WMIVNLBNLUFNIT-LSDHHAIUSA-N 1 0 288.391 2.378 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](C2CCCCC2)CN1Cc1nccn1C ZINC000086264827 179260973 /nfs/dbraw/zinc/26/09/73/179260973.db2.gz STTGANOFNXNHSI-UKRRQHHQSA-N 1 0 276.428 2.163 10 0 CEAERO CC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1ccnc(OC)c1 ZINC000086263813 179261174 /nfs/dbraw/zinc/26/11/74/179261174.db2.gz KJWWFKRFJZNXDH-WBVHZDCISA-N 1 0 289.423 2.443 10 0 CEAERO CC(C)[C@H]1CN[C@](C)(C2CC2)C[N@@H+]1[C@@H]1CCCOC1 ZINC000086265156 179261611 /nfs/dbraw/zinc/26/16/11/179261611.db2.gz 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ZINC000086597216 179310671 /nfs/dbraw/zinc/31/06/71/179310671.db2.gz JJFJZGPGPWUYBA-UHFFFAOYSA-N 1 0 273.174 2.469 10 0 CEAERO COC[C@H]1CCN([C@@H](C[NH3+])c2ccc(OC)c(Cl)c2)C1 ZINC000086595227 179310744 /nfs/dbraw/zinc/31/07/44/179310744.db2.gz YDWJBLBYIOVFLN-FZMZJTMJSA-N 1 0 298.814 2.317 10 0 CEAERO COC[C@@H]1CCN([C@@H](C[NH3+])c2ccc(OC)c(Cl)c2)C1 ZINC000086595224 179311141 /nfs/dbraw/zinc/31/11/41/179311141.db2.gz YDWJBLBYIOVFLN-RISCZKNCSA-N 1 0 298.814 2.317 10 0 CEAERO COCCN([C@H](C[NH3+])c1ccc(OC)c(Cl)c1)C1CC1 ZINC000086594976 179311151 /nfs/dbraw/zinc/31/11/51/179311151.db2.gz APVDIGVEOHSURR-CQSZACIVSA-N 1 0 298.814 2.459 10 0 CEAERO C[NH+]1CCC(Nc2nc(Cl)ncc2Cl)CC1 ZINC000086621897 179311806 /nfs/dbraw/zinc/31/18/06/179311806.db2.gz CDNOLFQHPLLPHI-UHFFFAOYSA-N 1 0 261.156 2.290 10 0 CEAERO COC[C@H]([NH2+]C[C@H](O)c1cc(C)ccc1OC)C(C)C ZINC000086700377 179321430 /nfs/dbraw/zinc/32/14/30/179321430.db2.gz VVEIRWLLHUWMJU-GJZGRUSLSA-N 1 0 281.396 2.298 10 0 CEAERO COC[C@@H]([NH2+]C[C@H](O)c1cc(C)ccc1OC)C(C)C ZINC000086700383 179321503 /nfs/dbraw/zinc/32/15/03/179321503.db2.gz VVEIRWLLHUWMJU-CABCVRRESA-N 1 0 281.396 2.298 10 0 CEAERO CS(=O)(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1Cl ZINC000086669935 179317404 /nfs/dbraw/zinc/31/74/04/179317404.db2.gz LDRPQRGTDAMDBW-QWHCGFSZSA-N 1 0 287.812 2.395 10 0 CEAERO CS(=O)(=O)[C@@H]1CCC[C@H]1[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000086673601 179317739 /nfs/dbraw/zinc/31/77/39/179317739.db2.gz ZBLWUYVUZZCMQC-HXFJTEJXSA-N 1 0 297.464 2.366 10 0 CEAERO CC(C)[C@@H](C)[NH+]1CCC([N@@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000086776197 179328192 /nfs/dbraw/zinc/32/81/92/179328192.db2.gz DIEYUAMAUAQSHE-TZMCWYRMSA-N 1 0 268.401 2.044 10 0 CEAERO CCN(Cc1cnc(Cl)s1)[C@H]1CCC[NH2+]C1 ZINC000086777865 179328889 /nfs/dbraw/zinc/32/88/89/179328889.db2.gz BXKLHZUBSAINCA-VIFPVBQESA-N 1 0 259.806 2.370 10 0 CEAERO [NH3+]CC[C@@H]1CCCCN1Cc1cnc(Cl)s1 ZINC000086777885 179329173 /nfs/dbraw/zinc/32/91/73/179329173.db2.gz SWZWJCJUZRCKJL-VIFPVBQESA-N 1 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/nfs/dbraw/zinc/35/51/52/179355152.db2.gz XOIDQTVVXQAXNV-OAHLLOKOSA-N 1 0 277.412 2.443 10 0 CEAERO CC[N@@H+]1CCC[C@](NCCOC)(c2nccs2)CC1 ZINC000086851706 179359700 /nfs/dbraw/zinc/35/97/00/179359700.db2.gz XWOUFQODTWJUKQ-CQSZACIVSA-N 1 0 283.441 2.080 10 0 CEAERO CCCn1nccc1[C@]1(O)CCC[N@@H+](C(C)C)CC1 ZINC000086867635 179360129 /nfs/dbraw/zinc/36/01/29/179360129.db2.gz ZPKHOFIESXODQZ-HNNXBMFYSA-N 1 0 265.401 2.375 10 0 CEAERO CCOC(=O)[C@H](CC)[C@@]1(O)CCC[N@@H+](C(C)C)CC1 ZINC000086868295 179360955 /nfs/dbraw/zinc/36/09/55/179360955.db2.gz LNAKUJDAJMVRED-DZGCQCFKSA-N 1 0 271.401 2.201 10 0 CEAERO CC[N@@H+]1CCC[C@H]([NH+](CC(=O)[O-])C2CCCC2)CC1 ZINC000086868784 179362185 /nfs/dbraw/zinc/36/21/85/179362185.db2.gz MYQOKFOCFUESIG-AWEZNQCLSA-N 1 0 268.401 2.190 10 0 CEAERO c1ccc(CN2CC[C@H]([NH2+][C@@H]3CCCOCC3)C2)cc1 ZINC000086871641 179364263 /nfs/dbraw/zinc/36/42/63/179364263.db2.gz QTMHXTHRXHLDTP-SJORKVTESA-N 1 0 274.408 2.420 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH2+]C)c1ccc(OC)cc1 ZINC000086978343 179372672 /nfs/dbraw/zinc/37/26/72/179372672.db2.gz WYUOUXXFHJBAQW-CQSZACIVSA-N 1 0 285.409 2.171 10 0 CEAERO CC[NH2+][C@H](CCCS(=O)(=O)CC)CC(F)(F)F ZINC000086979050 179372702 /nfs/dbraw/zinc/37/27/02/179372702.db2.gz PGSDLJGPIQYMFS-SECBINFHSA-N 1 0 275.336 2.132 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH2+]C)c1cccc(C)c1 ZINC000086978898 179372748 /nfs/dbraw/zinc/37/27/48/179372748.db2.gz IAKSPVNBOTXLEL-AWEZNQCLSA-N 1 0 269.410 2.470 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH3+])c1cccc(F)c1 ZINC000086978488 179372780 /nfs/dbraw/zinc/37/27/80/179372780.db2.gz VYQWRMYRQHSUEF-LBPRGKRZSA-N 1 0 259.346 2.040 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH3+])Cc1ccc(F)cc1F ZINC000086979813 179373076 /nfs/dbraw/zinc/37/30/76/179373076.db2.gz KBQHNSLOMJDBMM-LBPRGKRZSA-N 1 0 291.363 2.050 10 0 CEAERO CC[C@H]([NH3+])Cc1ccccc1OCCCS(=O)(=O)CC ZINC000086980018 179373229 /nfs/dbraw/zinc/37/32/29/179373229.db2.gz JNFLTBSILAMIBD-AWEZNQCLSA-N 1 0 299.436 2.170 10 0 CEAERO COC(=O)[C@@]1(N2CCC[NH2+]CC2)CCCC(C)(C)CC1 ZINC000086915580 179367274 /nfs/dbraw/zinc/36/72/74/179367274.db2.gz QKWUDKQMAMVFRF-MRXNPFEDSA-N 1 0 282.428 2.184 10 0 CEAERO CC(C)[C@@H]1CCC[C@@H]([NH2+]CC(=O)NC2CC2)CC1 ZINC000086939632 179367605 /nfs/dbraw/zinc/36/76/05/179367605.db2.gz UPGICGCZCHSFPR-CHWSQXEVSA-N 1 0 252.402 2.460 10 0 CEAERO C[C@@H]1SCCC[C@]1(CN)[N@H+](C)[C@@H]1CCSC1 ZINC000086946115 179367810 /nfs/dbraw/zinc/36/78/10/179367810.db2.gz KHZUNRKKJJCQFU-QJPTWQEYSA-N 1 0 260.472 2.037 10 0 CEAERO CC(C)[C@H]1CCC[C@](C(=O)[O-])([N@@H+]2CCC[NH2+]CC2)CC1 ZINC000086949802 179368706 /nfs/dbraw/zinc/36/87/06/179368706.db2.gz ZLVMFCGVSDRUCV-HOCLYGCPSA-N 1 0 282.428 2.341 10 0 CEAERO CCN(CC)CC[NH2+][C@@]1(C(N)=O)CCC[C@H](C(C)C)CC1 ZINC000086949376 179368914 /nfs/dbraw/zinc/36/89/14/179368914.db2.gz SJVRAJOWEGGFNU-RDJZCZTQSA-N 1 0 297.487 2.378 10 0 CEAERO CCC[C@@H]1CCC[C@](CO)([NH+]2CCNCC2)CC1 ZINC000086952230 179368919 /nfs/dbraw/zinc/36/89/19/179368919.db2.gz LCHBFPHFMSTGPM-CABCVRRESA-N 1 0 254.418 2.003 10 0 CEAERO CCC[C@@H]1CCC[C@]([NH2+]C[C@@H]2CCCO2)(C(N)=O)CC1 ZINC000086949347 179369043 /nfs/dbraw/zinc/36/90/43/179369043.db2.gz OPBDMUBVOJBMBK-IJEWVQPXSA-N 1 0 282.428 2.360 10 0 CEAERO C[C@@H]1SCCC[C@]1(CO)[NH2+]Cc1cccs1 ZINC000086968903 179370848 /nfs/dbraw/zinc/37/08/48/179370848.db2.gz YWQRXDATWZPHNF-CMPLNLGQSA-N 1 0 257.424 2.484 10 0 CEAERO C[NH2+][C@H](CCCOC)Cc1ccc(OC)c(F)c1 ZINC000086969796 179370962 /nfs/dbraw/zinc/37/09/62/179370962.db2.gz OFRQSLDWFPIVHM-GFCCVEGCSA-N 1 0 255.333 2.391 10 0 CEAERO CCS(=O)(=O)CCCOc1cccc2c1CC[C@@H]2[NH2+]C ZINC000086973053 179371395 /nfs/dbraw/zinc/37/13/95/179371395.db2.gz UAMMTWOOQDJLIH-AWEZNQCLSA-N 1 0 297.420 2.097 10 0 CEAERO CCS(=O)(=O)CCC[C@@](C)([NH3+])c1cccc(OC)c1 ZINC000086977387 179371936 /nfs/dbraw/zinc/37/19/36/179371936.db2.gz KRKFMWMUDWHCCA-CQSZACIVSA-N 1 0 285.409 2.084 10 0 CEAERO CCS(=O)(=O)CCC[C@](C)([NH3+])c1ccccc1C ZINC000086977328 179371970 /nfs/dbraw/zinc/37/19/70/179371970.db2.gz NZEVUAZWANHOSK-AWEZNQCLSA-N 1 0 269.410 2.384 10 0 CEAERO CC[C@](C)(O)C[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000087011775 179378865 /nfs/dbraw/zinc/37/88/65/179378865.db2.gz FYJHDMIORWXGCK-CVEARBPZSA-N 1 0 262.397 2.012 10 0 CEAERO C[C@H]([NH2+]CC1(O)CCCC1)c1ccc(NC(N)=O)cc1 ZINC000087016760 179380395 /nfs/dbraw/zinc/38/03/95/179380395.db2.gz YZXJVMIKOXGNDE-NSHDSACASA-N 1 0 277.368 2.133 10 0 CEAERO CC(C)(O)C[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000087027490 179381791 /nfs/dbraw/zinc/38/17/91/179381791.db2.gz GAFRRBNEBWXYAK-LLVKDONJSA-N 1 0 277.286 2.099 10 0 CEAERO CCC(O)(CC)C[NH2+]C[C@@H](O)COc1ccc(C)cc1C ZINC000087028614 179381864 /nfs/dbraw/zinc/38/18/64/179381864.db2.gz FEXCUBMDSCFPOY-OAHLLOKOSA-N 1 0 295.423 2.184 10 0 CEAERO CCC(O)(CC)C[NH2+]C[C@@H](O)c1cc(F)ccc1F ZINC000087028486 179381885 /nfs/dbraw/zinc/38/18/85/179381885.db2.gz NQYVVLRXCGONAU-CYBMUJFWSA-N 1 0 273.323 2.139 10 0 CEAERO CCc1ccc(C[C@@H]([NH3+])[C@H]2CSCCO2)s1 ZINC000086987942 179374540 /nfs/dbraw/zinc/37/45/40/179374540.db2.gz AKNORABLRPFWQL-VXGBXAGGSA-N 1 0 257.424 2.312 10 0 CEAERO COc1ccc([C@@H](O)[C@@H]2CCCCC[NH2+]2)cc1F ZINC000086994452 179375879 /nfs/dbraw/zinc/37/58/79/179375879.db2.gz WBTWPDVKRPNYTQ-GXTWGEPZSA-N 1 0 253.317 2.400 10 0 CEAERO C[NH2+]C[C@@H]1CCCN(C)[C@@H]1c1ccc(OC)c(F)c1 ZINC000086994653 179376104 /nfs/dbraw/zinc/37/61/04/179376104.db2.gz QWQUOIANXXWSDM-SWLSCSKDSA-N 1 0 266.360 2.437 10 0 CEAERO CCCN1CC[C@@H]([NH3+])[C@@H]1c1ccc(OC)c(F)c1 ZINC000086995388 179376188 /nfs/dbraw/zinc/37/61/88/179376188.db2.gz OCUHIKKLSPHADI-OCCSQVGLSA-N 1 0 252.333 2.318 10 0 CEAERO [NH3+][C@@H](c1ccc2[nH]c(=O)[nH]c2c1)c1c(F)cc(F)cc1F ZINC000086996447 179376773 /nfs/dbraw/zinc/37/67/73/179376773.db2.gz RLEHMVFBPLDXMI-ZDUSSCGKSA-N 1 0 293.248 2.322 10 0 CEAERO CC(C)N(CCC[NH3+])C(=O)c1c(F)cc(F)cc1F ZINC000086995694 179376934 /nfs/dbraw/zinc/37/69/34/179376934.db2.gz ABFCDPDBMLBCMG-UHFFFAOYSA-N 1 0 274.286 2.303 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1CNC(=O)c1c(F)cc(F)cc1F ZINC000086998966 179377862 /nfs/dbraw/zinc/37/78/62/179377862.db2.gz VWZKVBJPFCDZIN-PRHODGIISA-N 1 0 286.297 2.351 10 0 CEAERO Cc1cc2ncc(C[NH2+]CC3(O)CCC(C)CC3)cn2n1 ZINC000087044107 179387980 /nfs/dbraw/zinc/38/79/80/179387980.db2.gz DCHBVSSSKWWEPR-UHFFFAOYSA-N 1 0 288.395 2.069 10 0 CEAERO [NH3+][C@H]1COC[C@@H]1c1nc2cc(Br)ccc2o1 ZINC000087049587 179388873 /nfs/dbraw/zinc/38/88/73/179388873.db2.gz CIVFDRYTFXGTON-YUMQZZPRSA-N 1 0 283.125 2.031 10 0 CEAERO COC(=O)c1occc1C[NH2+]C[C@]1(O)CCC[C@@H](C)C1 ZINC000087050928 179388922 /nfs/dbraw/zinc/38/89/22/179388922.db2.gz PITVVUSQHDSEPY-ABAIWWIYSA-N 1 0 281.352 2.097 10 0 CEAERO CC[C@H]1C[NH2+]C[C@H](c2cc(OC)c(OC)cc2OC)O1 ZINC000087090211 179394311 /nfs/dbraw/zinc/39/43/11/179394311.db2.gz ARUPHGAXQKWUSV-ZUZCIYMTSA-N 1 0 281.352 2.152 10 0 CEAERO CC[C@H]1C[NH2+]C[C@@H](c2ccc(OC)c(OC)c2)O1 ZINC000087090249 179394343 /nfs/dbraw/zinc/39/43/43/179394343.db2.gz WXRFZCDNLFVAEM-FZMZJTMJSA-N 1 0 251.326 2.143 10 0 CEAERO CCCSCc1noc(C[C@@H]([NH2+]C)C(C)C)n1 ZINC000087108422 179395796 /nfs/dbraw/zinc/39/57/96/179395796.db2.gz CUPAMAADWMALJX-SNVBAGLBSA-N 1 0 257.403 2.499 10 0 CEAERO Cc1ccccc1NC(=O)C[NH2+]C[C@@]1(O)CCC[C@H](C)C1 ZINC000087065621 179390062 /nfs/dbraw/zinc/39/00/62/179390062.db2.gz SUSFALXEEAFXAH-SUMWQHHRSA-N 1 0 290.407 2.464 10 0 CEAERO CCCSCc1nc(C)cc(C[NH2+]CCOC)n1 ZINC000087108213 179395481 /nfs/dbraw/zinc/39/54/81/179395481.db2.gz RCCXKQQHTAHZOY-UHFFFAOYSA-N 1 0 269.414 2.164 10 0 CEAERO Cc1ccc(NC(=O)C[NH2+]C[C@@]2(O)CCC[C@H](C)C2)cc1 ZINC000087064542 179390312 /nfs/dbraw/zinc/39/03/12/179390312.db2.gz MAAUJNGLBNLGNU-WMLDXEAASA-N 1 0 290.407 2.464 10 0 CEAERO CCC[NH2+][C@@H](COC)Cc1nc(CSCCC)no1 ZINC000087108348 179395613 /nfs/dbraw/zinc/39/56/13/179395613.db2.gz OIZQLBFJBLARAM-LLVKDONJSA-N 1 0 287.429 2.270 10 0 CEAERO Cc1nc(C)c(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)o1 ZINC000670991203 539614517 /nfs/dbraw/zinc/61/45/17/539614517.db2.gz GYHMLUBKOZYNIB-HIFRSBDPSA-N 1 0 264.369 2.418 10 0 CEAERO [NH3+]CCC(=O)Nc1ccc(Cl)c(Br)c1 ZINC000087153094 179398081 /nfs/dbraw/zinc/39/80/81/179398081.db2.gz QKTDOBRKPFQOEQ-UHFFFAOYSA-N 1 0 277.549 2.390 10 0 CEAERO COCC[C@@](C)(O)Cc1[nH+]cc(C)c(OC)c1C ZINC000087165981 179398725 /nfs/dbraw/zinc/39/87/25/179398725.db2.gz KDUXWDIYOYNMAZ-CQSZACIVSA-N 1 0 253.342 2.037 10 0 CEAERO CCC[NH2+][C@H](C[C@@H]1CCCO1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000087214205 179402262 /nfs/dbraw/zinc/40/22/62/179402262.db2.gz ZVYDMMTVSDFIPF-GXTWGEPZSA-N 1 0 289.379 2.466 10 0 CEAERO CC[NH2+][C@@H](C[C@H]1CCCO1)c1ccc2[nH]c(=O)oc2c1 ZINC000087213938 179402522 /nfs/dbraw/zinc/40/25/22/179402522.db2.gz IFDYPXAHTJSXAP-YPMHNXCESA-N 1 0 276.336 2.341 10 0 CEAERO C[C@@H](O)[C@@H](C)Oc1ccc(C[NH3+])cc1Br ZINC000087125607 179396215 /nfs/dbraw/zinc/39/62/15/179396215.db2.gz ZNYLAVGRJYZREA-HTQZYQBOSA-N 1 0 274.158 2.056 10 0 CEAERO COc1ccc([C@H](O)[C@H](C[NH3+])CC(C)C)cc1OC ZINC000087379180 179417796 /nfs/dbraw/zinc/41/77/96/179417796.db2.gz UPQAKQSPWIBKMV-WFASDCNBSA-N 1 0 267.369 2.358 10 0 CEAERO CCCc1ccc(NC(=O)CSC(N)=[NH2+])cc1 ZINC000087464419 179429796 /nfs/dbraw/zinc/42/97/96/179429796.db2.gz OIAHMTILPHLRGM-UHFFFAOYSA-N 1 0 251.355 2.204 10 0 CEAERO [NH3+]CCN(Cc1ccccc1)c1nc(C2CC2)ns1 ZINC000087639676 179461065 /nfs/dbraw/zinc/46/10/65/179461065.db2.gz FIFMMIQHBPPTMA-UHFFFAOYSA-N 1 0 274.393 2.381 10 0 CEAERO C[C@@H]1CCC[C@H](C[NH3+])N1c1nc(C2CC2)ns1 ZINC000087642755 179462230 /nfs/dbraw/zinc/46/22/30/179462230.db2.gz FTTLDJMDUWIKOO-PSASIEDQSA-N 1 0 252.387 2.122 10 0 CEAERO CCCc1nsc(N2CCC[C@@H]2C[NH2+]C2CC2)n1 ZINC000087643720 179463176 /nfs/dbraw/zinc/46/31/76/179463176.db2.gz KQLODUPHNCQMMN-LLVKDONJSA-N 1 0 266.414 2.211 10 0 CEAERO COc1ccc(NC(=O)[C@H](C)CCC[C@H](C)[NH3+])cc1O ZINC000087694180 179471051 /nfs/dbraw/zinc/47/10/51/179471051.db2.gz GDKSNMKUVYWLTM-MNOVXSKESA-N 1 0 280.368 2.493 10 0 CEAERO COc1ncccc1NC(=O)[C@@H](C)CCC[C@@H](C)[NH3+] ZINC000087693985 179471131 /nfs/dbraw/zinc/47/11/31/179471131.db2.gz JYFCWHYHQZATHN-WDEREUQCSA-N 1 0 265.357 2.182 10 0 CEAERO Cc1ccc(Br)cc1C(=O)NCC[NH2+]C(C)C ZINC000087744081 179479755 /nfs/dbraw/zinc/47/97/55/179479755.db2.gz LKVKXPPGKFGMBR-UHFFFAOYSA-N 1 0 299.212 2.485 10 0 CEAERO CC[C@H](C[NH3+])C(=O)N(Cc1ccco1)CC(F)(F)F ZINC000087524521 179440806 /nfs/dbraw/zinc/44/08/06/179440806.db2.gz CCGGIVGCIBTMIG-SECBINFHSA-N 1 0 278.274 2.155 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)NCCSc1ccccc1 ZINC000087528581 179441179 /nfs/dbraw/zinc/44/11/79/179441179.db2.gz XAXUNRAGVMWSMX-LBPRGKRZSA-N 1 0 266.410 2.270 10 0 CEAERO CC(C)[C@H](C[NH3+])C(=O)N(Cc1ccsc1)C1CC1 ZINC000087530816 179441754 /nfs/dbraw/zinc/44/17/54/179441754.db2.gz VTFAPNQWKLOJDF-ZDUSSCGKSA-N 1 0 266.410 2.470 10 0 CEAERO CCOC(=O)c1ccsc1NC(=O)[C@@H](C[NH3+])C(C)C ZINC000087532345 179442024 /nfs/dbraw/zinc/44/20/24/179442024.db2.gz YUACKEADNUNCIV-JTQLQIEISA-N 1 0 284.381 2.094 10 0 CEAERO CCOC(=O)C[C@@](C)(CCc1ccc2c(c1)OCO2)[NH2+]C ZINC000087547352 179443739 /nfs/dbraw/zinc/44/37/39/179443739.db2.gz CYYTVOINEQDWKY-MRXNPFEDSA-N 1 0 293.363 2.279 10 0 CEAERO C[NH2+]C1(CC(=O)NCCCOCC(C)C)CCCCC1 ZINC000087576814 179448163 /nfs/dbraw/zinc/44/81/63/179448163.db2.gz PJCDJPFFQRAKTJ-UHFFFAOYSA-N 1 0 284.444 2.478 10 0 CEAERO CCOC(=O)c1cccc([C@H]2CCCCN(CC[NH3+])C2)c1 ZINC000616629908 348540273 /nfs/dbraw/zinc/54/02/73/348540273.db2.gz WFZBZZBEFFXKSJ-INIZCTEOSA-N 1 0 290.407 2.392 10 0 CEAERO CC(=O)Nc1ccc([C@@H]2CCCN(CC[NH3+])CC2)cc1 ZINC000616629306 348540515 /nfs/dbraw/zinc/54/05/15/348540515.db2.gz VEKQCPHOFINOLR-CQSZACIVSA-N 1 0 275.396 2.173 10 0 CEAERO OCc1ccc([C@@H]2C[N@H+](Cc3ccccc3)CCN2)cc1 ZINC000616632570 348541216 /nfs/dbraw/zinc/54/12/16/348541216.db2.gz RDJMOYHUFWBWFB-SFHVURJKSA-N 1 0 282.387 2.325 10 0 CEAERO Nc1cccc([C@H]2C[N@H+](Cc3ccccc3)CCN2)c1 ZINC000616633505 348541810 /nfs/dbraw/zinc/54/18/10/348541810.db2.gz YVAQEWVQVXDHJD-QGZVFWFLSA-N 1 0 267.376 2.415 10 0 CEAERO CC(C)[N@@H+]1CCCOC[C@@H]1c1ccc(CCO)cc1 ZINC000616645163 348545252 /nfs/dbraw/zinc/54/52/52/348545252.db2.gz HGESLYVFAYTMLL-MRXNPFEDSA-N 1 0 263.381 2.393 10 0 CEAERO CC(C)(C)[N@@H+]1CCO[C@@H](c2ccc(CCO)cc2)C1 ZINC000616645310 348545582 /nfs/dbraw/zinc/54/55/82/348545582.db2.gz OQSVQDOGOKGBEL-OAHLLOKOSA-N 1 0 263.381 2.393 10 0 CEAERO CC(C)[C@@H]1COCCC[N@@H+]1CCNC(=O)OC(C)(C)C ZINC000616646439 348546068 /nfs/dbraw/zinc/54/60/68/348546068.db2.gz WHEVCZSBGDFLJQ-ZDUSSCGKSA-N 1 0 286.416 2.258 10 0 CEAERO CC(C)(C)[N@@H+]1CCO[C@H](c2ccccc2CCO)C1 ZINC000616648082 348546221 /nfs/dbraw/zinc/54/62/21/348546221.db2.gz OHBWRTSYDXSPCS-HNNXBMFYSA-N 1 0 263.381 2.393 10 0 CEAERO c1cnn([C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000616652275 348548563 /nfs/dbraw/zinc/54/85/63/348548563.db2.gz JVVUEDWKLRIFTJ-HNNXBMFYSA-N 1 0 257.337 2.304 10 0 CEAERO Cc1nn(C)c(C[C@H](C)[C@@H](C)C[NH3+])c1Br ZINC000087939080 179527446 /nfs/dbraw/zinc/52/74/46/179527446.db2.gz FAXVTARCXKZQFG-YUMQZZPRSA-N 1 0 274.206 2.264 10 0 CEAERO CC[C@@H](C)CN(C)c1nc[nH+]c(NN)c1C(C)C ZINC000087852803 179501301 /nfs/dbraw/zinc/50/13/01/179501301.db2.gz HZRALSSPPWOYPK-SNVBAGLBSA-N 1 0 251.378 2.368 10 0 CEAERO CC(C)=CC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccccc1 ZINC000616569796 348523420 /nfs/dbraw/zinc/52/34/20/348523420.db2.gz KHAAPPJMKUWTHJ-GJZGRUSLSA-N 1 0 258.365 2.215 10 0 CEAERO O=C(N[C@@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)C1CCC1 ZINC000616570129 348523689 /nfs/dbraw/zinc/52/36/89/348523689.db2.gz LYUMPTCDRRTXTL-LSDHHAIUSA-N 1 0 276.355 2.188 10 0 CEAERO [NH3+][C@@H]1CN(C(=O)CC2CC2)CC[C@H]1c1ccccc1 ZINC000616571642 348524055 /nfs/dbraw/zinc/52/40/55/348524055.db2.gz QEYOJWIENBIATN-LSDHHAIUSA-N 1 0 258.365 2.130 10 0 CEAERO CC(C)C[C@H]1CC[NH2+]C[C@H]1NC(=O)C1CCCC1 ZINC000616571707 348524069 /nfs/dbraw/zinc/52/40/69/348524069.db2.gz REAKJSXSIWGWKQ-ZIAGYGMSSA-N 1 0 252.402 2.317 10 0 CEAERO Nc1ncccc1[C@@H]1CCc2ccccc2N1CC[NH3+] ZINC000616595454 348528376 /nfs/dbraw/zinc/52/83/76/348528376.db2.gz LVXYZKSTPPKFQZ-HNNXBMFYSA-N 1 0 268.364 2.116 10 0 CEAERO NNc1cccc(NCc2cc(F)ccc2F)[nH+]1 ZINC000087877776 179507653 /nfs/dbraw/zinc/50/76/53/179507653.db2.gz LLBUZUVLTQZWIU-UHFFFAOYSA-N 1 0 250.252 2.258 10 0 CEAERO CC(C)(C)[N@@H+]1CCOCC[C@H]1c1ccccc1C(N)=O ZINC000616598321 348529023 /nfs/dbraw/zinc/52/90/23/348529023.db2.gz OZZIFDHNWIIWAM-AWEZNQCLSA-N 1 0 276.380 2.347 10 0 CEAERO CC(C)[C@H]1CCOCC[N@@H+]1CCNC(=O)OC(C)(C)C ZINC000616599774 348530525 /nfs/dbraw/zinc/53/05/25/348530525.db2.gz WLMWHVMERMEWEA-CYBMUJFWSA-N 1 0 286.416 2.258 10 0 CEAERO CC(=O)[C@H]1CCC[N@H+](CCNC(=O)OC(C)(C)C)CC1 ZINC000616601131 348531260 /nfs/dbraw/zinc/53/12/60/348531260.db2.gz OIHMPKJZLRYGOM-ZDUSSCGKSA-N 1 0 284.400 2.202 10 0 CEAERO CC(C)[N@@H+]1CCOC[C@@H]1c1cccc2nnccc21 ZINC000616602413 348531271 /nfs/dbraw/zinc/53/12/71/348531271.db2.gz RIGLMSTVJJGUTN-OAHLLOKOSA-N 1 0 257.337 2.412 10 0 CEAERO [NH3+]CCN1CCC[C@@H](c2cccc3cnccc32)C1 ZINC000616608714 348532851 /nfs/dbraw/zinc/53/28/51/348532851.db2.gz BLROOUXKMSMADC-CQSZACIVSA-N 1 0 255.365 2.373 10 0 CEAERO CC(=O)Nc1ccc([C@@H]2COCC[N@@H+](C(C)C)C2)cc1 ZINC000616658976 348551252 /nfs/dbraw/zinc/55/12/52/348551252.db2.gz ALAVUAPRQXOVQO-HNNXBMFYSA-N 1 0 276.380 2.469 10 0 CEAERO OCC[N@@H+]1CCC[C@H](c2cc3ccccc3cn2)C1 ZINC000616618431 348536015 /nfs/dbraw/zinc/53/60/15/348536015.db2.gz UWOUZMUEIQHZJN-HNNXBMFYSA-N 1 0 256.349 2.407 10 0 CEAERO C[C@H](C[NH3+])[S@](=O)Cc1ccc(Br)cc1F ZINC000088068086 179543909 /nfs/dbraw/zinc/54/39/09/179543909.db2.gz DXYSGFDCAYIIGP-MLXNANBUSA-N 1 0 294.189 2.184 10 0 CEAERO CC(C)([NH3+])C[S@](=O)Cc1cc(Br)cs1 ZINC000088071422 179544238 /nfs/dbraw/zinc/54/42/38/179544238.db2.gz QBIKFMUNJMFOTC-AWEZNQCLSA-N 1 0 296.255 2.497 10 0 CEAERO CC[C@H]([NH3+])C[S@](=O)Cc1cccc(Br)c1 ZINC000088073885 179544603 /nfs/dbraw/zinc/54/46/03/179544603.db2.gz CCJZBWNMTUFHSB-NHYWBVRUSA-N 1 0 290.226 2.435 10 0 CEAERO C[C@@](O)(CCc1ccc2c(c1)CCO2)[C@@H]1CCC[NH2+]C1 ZINC000088103329 179548877 /nfs/dbraw/zinc/54/88/77/179548877.db2.gz OWYGUYNSWSFFJB-NVXWUHKLSA-N 1 0 275.392 2.305 10 0 CEAERO CC[C@H]([NH3+])Cc1cnn(CCc2ccc3c(c2)CCO3)c1 ZINC000088106363 179549894 /nfs/dbraw/zinc/54/98/94/179549894.db2.gz UTGHPJQCDGUBSC-INIZCTEOSA-N 1 0 285.391 2.341 10 0 CEAERO COc1ccc(C[NH3+])c(Sc2nncs2)c1 ZINC000088128536 179552877 /nfs/dbraw/zinc/55/28/77/179552877.db2.gz VBQISZUTRVGRBY-UHFFFAOYSA-N 1 0 253.352 2.157 10 0 CEAERO C[C@@H](C[NH3+])C[S@](=O)c1ccc(Br)cc1 ZINC000088144596 179556361 /nfs/dbraw/zinc/55/63/61/179556361.db2.gz BNRNOXYNIWHGKN-RMLUDKJBSA-N 1 0 276.199 2.152 10 0 CEAERO c1nc([C@H]2CC[N@H+](Cc3ccccc3)CCO2)c[nH]1 ZINC000616662199 348553031 /nfs/dbraw/zinc/55/30/31/348553031.db2.gz DKAUNPOSKHXOSG-OAHLLOKOSA-N 1 0 257.337 2.373 10 0 CEAERO [NH3+]CCN1C[C@H](c2ccccc2CCO)Cc2ccccc21 ZINC000616674143 348556702 /nfs/dbraw/zinc/55/67/02/348556702.db2.gz YBWOXQBVRWPPML-QGZVFWFLSA-N 1 0 296.414 2.326 10 0 CEAERO [NH3+]CCN1C[C@@H](c2ccc(CCO)cc2)Cc2ccccc21 ZINC000616673444 348556718 /nfs/dbraw/zinc/55/67/18/348556718.db2.gz XYMZPMWRDDXVCV-SFHVURJKSA-N 1 0 296.414 2.326 10 0 CEAERO [NH3+]CCN1CCc2ccccc2[C@@H]1OC(F)(F)F ZINC000616679658 348557988 /nfs/dbraw/zinc/55/79/88/348557988.db2.gz WWGFEFRNUIGLPF-NSHDSACASA-N 1 0 260.259 2.038 10 0 CEAERO Nc1cccc([C@H]2CN(CC[NH3+])c3ccccc3N2)c1 ZINC000616682386 348559701 /nfs/dbraw/zinc/55/97/01/348559701.db2.gz BJBXJMTVHMCUDI-OAHLLOKOSA-N 1 0 268.364 2.201 10 0 CEAERO COc1ccc(OCCOc2cccc(C(N)=[NH2+])c2)cc1 ZINC000088402378 179594297 /nfs/dbraw/zinc/59/42/97/179594297.db2.gz MERALOQYHWCUOB-UHFFFAOYSA-N 1 0 286.331 2.437 10 0 CEAERO CN(CCC(F)(F)F)C(=O)[C@H]1CCC[C@H](C[NH3+])C1 ZINC000088438960 179602764 /nfs/dbraw/zinc/60/27/64/179602764.db2.gz RXSPJUGBBNIPPO-UWVGGRQHSA-N 1 0 266.307 2.162 10 0 CEAERO Cc1ccc(CN(C)C(=O)[C@@H]2C[NH2+]C[C@H](C)C2)cc1 ZINC000088449765 179605892 /nfs/dbraw/zinc/60/58/92/179605892.db2.gz FITDIAQFQDOQJE-HIFRSBDPSA-N 1 0 260.381 2.199 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C(=O)N(C)c2ccc(F)cc2)C1 ZINC000088450776 179606086 /nfs/dbraw/zinc/60/60/86/179606086.db2.gz DOXZKDSBTHIKJP-QWRGUYRKSA-N 1 0 250.317 2.034 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H](C(=O)N2CCCC(C)(C)CC2)C1 ZINC000088451422 179606534 /nfs/dbraw/zinc/60/65/34/179606534.db2.gz JLUFIWXMOYOAGE-OLZOCXBDSA-N 1 0 252.402 2.271 10 0 CEAERO Cc1cncc(C(=O)N[C@@]2(C[NH3+])CCC[C@@H](C)C2)c1 ZINC000088452104 179607354 /nfs/dbraw/zinc/60/73/54/179607354.db2.gz PCSDYCZQPRJLKK-ABAIWWIYSA-N 1 0 261.369 2.027 10 0 CEAERO CC[NH2+][C@H](Cn1c(=O)oc2cccnc21)c1ccccc1 ZINC000088396914 179590943 /nfs/dbraw/zinc/59/09/43/179590943.db2.gz VQWMPJASSQLEJH-CYBMUJFWSA-N 1 0 283.331 2.340 10 0 CEAERO C[NH2+][C@@H](Cc1ncnn1C)Cc1c(Cl)cccc1Cl ZINC000088581968 179629693 /nfs/dbraw/zinc/62/96/93/179629693.db2.gz ZOYWTNRXQXODME-SECBINFHSA-N 1 0 299.205 2.495 10 0 CEAERO CCCn1ncnc1CN1CCCC[C@@H]1C[NH2+]CC(C)C ZINC000088595385 179632781 /nfs/dbraw/zinc/63/27/81/179632781.db2.gz UYSSCWBTABBWQK-OAHLLOKOSA-N 1 0 293.459 2.288 10 0 CEAERO C[NH2+][C@H](Cc1ncnn1C(C)C)Cc1cccc(OC)c1 ZINC000088610972 179638065 /nfs/dbraw/zinc/63/80/65/179638065.db2.gz RXBDQORHRZEQST-AWEZNQCLSA-N 1 0 288.395 2.241 10 0 CEAERO CCn1ncnc1C[C@H]([NH3+])Cc1ccccc1Cl ZINC000088611283 179638593 /nfs/dbraw/zinc/63/85/93/179638593.db2.gz XYBMWLUJGZCKQN-LLVKDONJSA-N 1 0 264.760 2.064 10 0 CEAERO C[NH2+][C@@H](Cc1ncnn1CC(C)C)c1cccc(C)n1 ZINC000088612240 179639393 /nfs/dbraw/zinc/63/93/93/179639393.db2.gz PWKSRSDXNUJTEX-AWEZNQCLSA-N 1 0 273.384 2.141 10 0 CEAERO CC(C)n1ncnc1C[C@H]([NH3+])[C@H]1CCc2ccccc21 ZINC000088616940 179639895 /nfs/dbraw/zinc/63/98/95/179639895.db2.gz KFESXXCVQBSJLX-GJZGRUSLSA-N 1 0 270.380 2.459 10 0 CEAERO CC(C)CSC[C@@H]([NH3+])Cc1ncnn1CC(C)C ZINC000088612787 179640032 /nfs/dbraw/zinc/64/00/32/179640032.db2.gz CONIAPPPXNQCAK-LBPRGKRZSA-N 1 0 270.446 2.193 10 0 CEAERO CCn1ncnc1C[C@](CC)(C[NH2+]C)c1ccccc1 ZINC000088621404 179641331 /nfs/dbraw/zinc/64/13/31/179641331.db2.gz NCUHCDJHZHCFDP-MRXNPFEDSA-N 1 0 272.396 2.408 10 0 CEAERO CC(C)[NH2+]Cc1nnnn1[C@@H]1CCCCC[C@@H]1C ZINC000088514933 179616298 /nfs/dbraw/zinc/61/62/98/179616298.db2.gz LWXQUPHXJRSSMT-NWDGAFQWSA-N 1 0 251.378 2.312 10 0 CEAERO [NH3+][C@@H](Cc1ccc2ccccc2n1)c1ncccn1 ZINC000088529858 179618398 /nfs/dbraw/zinc/61/83/98/179618398.db2.gz OVXNVKJHTUQCTO-ZDUSSCGKSA-N 1 0 250.305 2.267 10 0 CEAERO CC[NH2+][C@H](Cc1ccncc1)[C@@H]1COc2ccccc2O1 ZINC000088531018 179618763 /nfs/dbraw/zinc/61/87/63/179618763.db2.gz BURSXPGXCRXBGW-PBHICJAKSA-N 1 0 284.359 2.442 10 0 CEAERO Cc1ccccc1S(=O)(=O)NC1(C[NH3+])CCCCCC1 ZINC000088714785 179656906 /nfs/dbraw/zinc/65/69/06/179656906.db2.gz AHIWKJYYPRKBDN-UHFFFAOYSA-N 1 0 296.436 2.325 10 0 CEAERO C[NH2+]CCCc1nnc([C@H]2Cc3ccccc3O2)s1 ZINC000088811679 179676182 /nfs/dbraw/zinc/67/61/82/179676182.db2.gz KBSAFDJELFFIJB-GFCCVEGCSA-N 1 0 275.377 2.366 10 0 CEAERO CCC[NH2+]Cc1nnc(-c2cccc3c2OCCO3)s1 ZINC000088814361 179677039 /nfs/dbraw/zinc/67/70/39/179677039.db2.gz UYABDZVDPBEMCE-UHFFFAOYSA-N 1 0 291.376 2.476 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]Cc2ccc(C)cc2Cl)C1 ZINC000233486946 539672109 /nfs/dbraw/zinc/67/21/09/539672109.db2.gz BAHVNITUISBRES-AWEZNQCLSA-N 1 0 282.815 2.459 10 0 CEAERO CCOc1cc(N[C@H](C[NH3+])C2CCCC2)nc(C)n1 ZINC000233806781 539681714 /nfs/dbraw/zinc/68/17/14/539681714.db2.gz KXCXWKCAYOXUGT-GFCCVEGCSA-N 1 0 264.373 2.113 10 0 CEAERO CCOC(=O)c1cccnc1N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089108402 179704728 /nfs/dbraw/zinc/70/47/28/179704728.db2.gz UOPNVQRGVMLRFZ-YPMHNXCESA-N 1 0 277.368 2.188 10 0 CEAERO Cc1ccc(CC(=O)N(C)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089111219 179705800 /nfs/dbraw/zinc/70/58/00/179705800.db2.gz GHMZWHJVDVDMBQ-HUUCEWRRSA-N 1 0 260.381 2.123 10 0 CEAERO CCC[NH2+]C[C@H](C)S(=O)(=O)N1CCCC(C)(C)CC1 ZINC000089049564 179693178 /nfs/dbraw/zinc/69/31/78/179693178.db2.gz UPQFAQQZBDEIEJ-ZDUSSCGKSA-N 1 0 290.473 2.216 10 0 CEAERO Cc1cc(S(=O)(=O)NC2(C)CCCC2)sc1C[NH3+] ZINC000089049038 179693441 /nfs/dbraw/zinc/69/34/41/179693441.db2.gz QPNCROCOGXBRGJ-UHFFFAOYSA-N 1 0 288.438 2.126 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1Nc1ccc2c(c1)OCCCO2 ZINC000089147216 179723441 /nfs/dbraw/zinc/72/34/41/179723441.db2.gz GWTOASUDZXOFKL-YPMHNXCESA-N 1 0 262.353 2.387 10 0 CEAERO COc1ccc(N[C@H]2CCC[C@H]2C[NH3+])c(OC)c1 ZINC000089147095 179722727 /nfs/dbraw/zinc/72/27/27/179722727.db2.gz HDGCZIWAQVPKHS-JQWIXIFHSA-N 1 0 250.342 2.243 10 0 CEAERO CCN(C(=O)c1cccn1CC)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089114964 179709550 /nfs/dbraw/zinc/70/95/50/179709550.db2.gz NDYDKLDBBWGCOX-CHWSQXEVSA-N 1 0 263.385 2.098 10 0 CEAERO Cc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2C[NH3+])cc1O ZINC000089118602 179710845 /nfs/dbraw/zinc/71/08/45/179710845.db2.gz FKOHVUBXAITZES-KGLIPLIRSA-N 1 0 276.380 2.290 10 0 CEAERO CCCn1cccc1C(=O)N(C)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089119747 179712007 /nfs/dbraw/zinc/71/20/07/179712007.db2.gz BJASIBBVJWYCGH-UONOGXRCSA-N 1 0 277.412 2.488 10 0 CEAERO CC[C@H]([NH3+])Cc1ccc(Sc2nncn2C)c(F)c1 ZINC000104296212 185958555 /nfs/dbraw/zinc/95/85/55/185958555.db2.gz PLTDZFWMEOUVRC-JTQLQIEISA-N 1 0 280.372 2.385 10 0 CEAERO CC(C)[NH2+]Cc1ccc(SCCS(C)(=O)=O)cc1 ZINC000104299503 185958615 /nfs/dbraw/zinc/95/86/15/185958615.db2.gz FNUDFJXJBPRGRN-UHFFFAOYSA-N 1 0 287.450 2.321 10 0 CEAERO CCn1nc(CO[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000089175128 179740568 /nfs/dbraw/zinc/74/05/68/179740568.db2.gz LJZWIAYYNMZAGQ-LBPRGKRZSA-N 1 0 259.353 2.325 10 0 CEAERO Cn1nc(C[C@@]2([NH3+])CCCOCC2)c2ccccc21 ZINC000089176756 179742123 /nfs/dbraw/zinc/74/21/23/179742123.db2.gz JLQAGDRSZKBLME-OAHLLOKOSA-N 1 0 259.353 2.014 10 0 CEAERO Cn1nc(C[N@@H+]2CCC[C@H]2CCCO)c2ccccc21 ZINC000089178796 179743578 /nfs/dbraw/zinc/74/35/78/179743578.db2.gz VCGJLNRNZICIGQ-ZDUSSCGKSA-N 1 0 273.380 2.310 10 0 CEAERO CCC[NH2+]C[C@H]1CCCN1Cc1cc(CC)nn1CC ZINC000089185805 179746897 /nfs/dbraw/zinc/74/68/97/179746897.db2.gz MMFBZKSDNXHMME-OAHLLOKOSA-N 1 0 278.444 2.429 10 0 CEAERO CCc1cc(COc2ccc(C(N)=[NH2+])cc2)n(CC)n1 ZINC000089185554 179747130 /nfs/dbraw/zinc/74/71/30/179747130.db2.gz HZTNPDQJNZPPHH-UHFFFAOYSA-N 1 0 272.352 2.328 10 0 CEAERO C[C@H]([NH2+]C[C@H]1CCCO1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400427981 233178486 /nfs/dbraw/zinc/17/84/86/233178486.db2.gz ZDDSFXNZQLHVMH-MELADBBJSA-N 1 0 298.427 2.401 10 0 CEAERO COc1ccccc1[C@@](C)([NH3+])Cc1cc(C)nn1C ZINC000089190736 179749032 /nfs/dbraw/zinc/74/90/32/179749032.db2.gz SFQJXJPHGDJYIA-HNNXBMFYSA-N 1 0 259.353 2.154 10 0 CEAERO CCc1cc(C[C@]2([NH3+])CCc3ccccc32)n(C)n1 ZINC000089190606 179749070 /nfs/dbraw/zinc/74/90/70/179749070.db2.gz BBCXXGVIAYFSQK-MRXNPFEDSA-N 1 0 255.365 2.325 10 0 CEAERO CCn1nc(C)cc1C[C@@H]([NH3+])c1ccccc1OC ZINC000089192440 179749118 /nfs/dbraw/zinc/74/91/18/179749118.db2.gz SUFMLQWGCAJINZ-CQSZACIVSA-N 1 0 259.353 2.463 10 0 CEAERO CCN(CC)c1ccc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])cn1 ZINC000089452522 539717090 /nfs/dbraw/zinc/71/70/90/539717090.db2.gz FKLDIXAVRSWKQT-GXTWGEPZSA-N 1 0 290.411 2.241 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCCC1CCCCC1 ZINC000089454482 539717267 /nfs/dbraw/zinc/71/72/67/539717267.db2.gz UTOXBXIHYDGWAJ-KGLIPLIRSA-N 1 0 252.402 2.448 10 0 CEAERO Cc1ccccc1OCCN(C)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089455716 539717313 /nfs/dbraw/zinc/71/73/13/539717313.db2.gz DPHUNBIELLHLHD-CABCVRRESA-N 1 0 290.407 2.207 10 0 CEAERO Cc1cc(C[C@]2(C[NH2+]C(C)(C)C)CCOC2)n(C)n1 ZINC000089206394 179754114 /nfs/dbraw/zinc/75/41/14/179754114.db2.gz KQVDLGWRLHIWDI-HNNXBMFYSA-N 1 0 265.401 2.066 10 0 CEAERO CC1CCC(CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089462315 539718566 /nfs/dbraw/zinc/71/85/66/539718566.db2.gz UUYHDBUTUCVZRE-PQAZSJQKSA-N 1 0 252.402 2.304 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N(CC1CC1)CC1CC1 ZINC000089462901 539718818 /nfs/dbraw/zinc/71/88/18/539718818.db2.gz MGRPFFLNQWWGTH-UONOGXRCSA-N 1 0 250.386 2.010 10 0 CEAERO CC1(C)CCC(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089463112 539718820 /nfs/dbraw/zinc/71/88/20/539718820.db2.gz KVNFWUZIDSCDGW-YPMHNXCESA-N 1 0 252.402 2.446 10 0 CEAERO COc1ccc(N(C)C(=O)[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089461201 539718941 /nfs/dbraw/zinc/71/89/41/539718941.db2.gz XMRXCSHBFJUVPM-SMDDNHRTSA-N 1 0 262.353 2.033 10 0 CEAERO CCC[C@H]1CN(Cc2c(Cl)c(C)nn2CC)CC[NH2+]1 ZINC000089304434 179767551 /nfs/dbraw/zinc/76/75/51/179767551.db2.gz WYNUUSLZGBYRRL-LBPRGKRZSA-N 1 0 284.835 2.439 10 0 CEAERO CCc1nn(C)c(CN2CCC([C@H](C)[NH3+])CC2)c1Cl ZINC000089322905 179769359 /nfs/dbraw/zinc/76/93/59/179769359.db2.gz IKCJMDPJWWVWJO-JTQLQIEISA-N 1 0 284.835 2.195 10 0 CEAERO CCc1nn(CC)c(C[C@@H]([NH3+])CCCOC)c1Cl ZINC000089360457 179773192 /nfs/dbraw/zinc/77/31/92/179773192.db2.gz AIMAQJULGRVTGS-JTQLQIEISA-N 1 0 273.808 2.415 10 0 CEAERO CC[C@H](C)[C@H]1CN(Cc2c(Cl)c(C)nn2C)CC[NH2+]1 ZINC000089270190 179763327 /nfs/dbraw/zinc/76/33/27/179763327.db2.gz FKUIURSLSCWKBW-CMPLNLGQSA-N 1 0 284.835 2.202 10 0 CEAERO CCn1nc(C)c(Cl)c1CN1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000089282101 179764361 /nfs/dbraw/zinc/76/43/61/179764361.db2.gz QOMJQNHVRUCRKW-ZJUUUORDSA-N 1 0 270.808 2.047 10 0 CEAERO CC[NH2+][C@H](COC)Cc1c(Cl)c(C)nn1CC ZINC000089295655 179765935 /nfs/dbraw/zinc/76/59/35/179765935.db2.gz XSRVHWWKOPZEMO-JTQLQIEISA-N 1 0 259.781 2.032 10 0 CEAERO CC[NH2+][C@@H](COCC)Cc1c(Cl)c(C)nn1CC ZINC000089298653 179766682 /nfs/dbraw/zinc/76/66/82/179766682.db2.gz UIQNVKCHXUBGOO-LLVKDONJSA-N 1 0 273.808 2.422 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1C(=O)NCCc1ccsc1 ZINC000089396421 179780147 /nfs/dbraw/zinc/78/01/47/179780147.db2.gz PHVRHMUNKORXGB-STQMWFEESA-N 1 0 266.410 2.172 10 0 CEAERO COc1ccc(CN(C)C(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1F ZINC000089454528 179793642 /nfs/dbraw/zinc/79/36/42/179793642.db2.gz OALJPJTYJZWRIA-CHWSQXEVSA-N 1 0 294.370 2.168 10 0 CEAERO C[C@H](OC[C@H]1CCCC[C@@H]1C[NH3+])C(=O)NC(C)(C)C ZINC000089535635 179812475 /nfs/dbraw/zinc/81/24/75/179812475.db2.gz WDCRYCGRBHRHNM-YNEHKIRRSA-N 1 0 270.417 2.071 10 0 CEAERO CCCCCNC(=O)[C@H](C)OC[C@H]1CCC[C@@H]1C[NH3+] ZINC000089537321 179812857 /nfs/dbraw/zinc/81/28/57/179812857.db2.gz QTRIKYLAYBGELG-BFHYXJOUSA-N 1 0 270.417 2.073 10 0 CEAERO Cc1ccc(C(=O)NC[C@H]2CCC[C@@H]2C[NH3+])c(C)c1 ZINC000089500559 179804876 /nfs/dbraw/zinc/80/48/76/179804876.db2.gz IYMPKXRNSHBGCQ-ZIAGYGMSSA-N 1 0 260.381 2.408 10 0 CEAERO CC[C@H](C)n1ccc(CN2CC([NH3+])(C(C)C)C2)n1 ZINC000089665626 179844806 /nfs/dbraw/zinc/84/48/06/179844806.db2.gz DAFGHAROAOWHQS-LBPRGKRZSA-N 1 0 250.390 2.023 10 0 CEAERO CC(C)CCSc1nnnn1CC[NH2+]C(C)(C)C ZINC000089688619 179846750 /nfs/dbraw/zinc/84/67/50/179846750.db2.gz DSINPBQKFQIFSE-UHFFFAOYSA-N 1 0 271.434 2.199 10 0 CEAERO CC[NH+](CC)Cc1ccc(CN[C@@H](C)C(=O)OC)cc1 ZINC000090273181 179945517 /nfs/dbraw/zinc/94/55/17/179945517.db2.gz GLFPENBMLUTAGU-ZDUSSCGKSA-N 1 0 278.396 2.180 10 0 CEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C(=O)CCc1cccc(C)c1 ZINC000090330388 179962394 /nfs/dbraw/zinc/96/23/94/179962394.db2.gz CXBSRKBFQUBPCY-IXDOHACOSA-N 1 0 286.419 2.384 10 0 CEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1c1nc(C(C)(C)C)ns1 ZINC000090333879 179964037 /nfs/dbraw/zinc/96/40/37/179964037.db2.gz QEOHHWAOBFZYGN-OUAUKWLOSA-N 1 0 280.441 2.270 10 0 CEAERO CC(C)CN(CC(C)C)C(=O)CSC[C@H](C)[NH3+] ZINC000090343749 179969642 /nfs/dbraw/zinc/96/96/42/179969642.db2.gz LZRLQDSQVVXYBC-LBPRGKRZSA-N 1 0 260.447 2.207 10 0 CEAERO C[C@H]([NH3+])CCSCc1nnc(-c2ccco2)o1 ZINC000090346842 179970932 /nfs/dbraw/zinc/97/09/32/179970932.db2.gz TUTHTJALRASWOT-QMMMGPOBSA-N 1 0 253.327 2.300 10 0 CEAERO CC(C)(C)CCO[C@@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000090348611 179971227 /nfs/dbraw/zinc/97/12/27/179971227.db2.gz HFMONAKAHIPMHG-VXGBXAGGSA-N 1 0 257.374 2.062 10 0 CEAERO C[C@@H](C[NH3+])CSCc1cc(=O)n2cc(Cl)ccc2n1 ZINC000090349788 179971478 /nfs/dbraw/zinc/97/14/78/179971478.db2.gz XVVUFCRSLHOIED-VIFPVBQESA-N 1 0 297.811 2.176 10 0 CEAERO C[C@@H](C[NH3+])CSCC(=O)N(C)Cc1ccccc1F ZINC000090349960 179972296 /nfs/dbraw/zinc/97/22/96/179972296.db2.gz XYRLCVUIDKHISE-NSHDSACASA-N 1 0 284.400 2.112 10 0 CEAERO CCn1c2ccc(Cl)cc2nc1[C@H]1COC[C@@H]1[NH3+] ZINC000090363724 179977723 /nfs/dbraw/zinc/97/77/23/179977723.db2.gz LMBYEDVPBWZPED-UWVGGRQHSA-N 1 0 265.744 2.151 10 0 CEAERO [NH3+][C@@H]1COC[C@@H]1c1nc2ccccc2n1-c1ccccc1 ZINC000090363650 179977962 /nfs/dbraw/zinc/97/79/62/179977962.db2.gz YXYPHRVEVHFXSC-UONOGXRCSA-N 1 0 279.343 2.467 10 0 CEAERO COc1ccc([C@H](C)NC(=O)[C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000090310615 179955540 /nfs/dbraw/zinc/95/55/40/179955540.db2.gz YODDEFHJOAEBHR-DYEKYZERSA-N 1 0 276.380 2.261 10 0 CEAERO CCC[NH2+]C[C@H]1CCCN(S(=O)(=O)CCC(C)C)C1 ZINC000104428241 185998080 /nfs/dbraw/zinc/99/80/80/185998080.db2.gz DNDKLETWPMIVRV-CQSZACIVSA-N 1 0 290.473 2.074 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1Nc1cccc(C(F)(F)F)n1 ZINC000090313371 179956685 /nfs/dbraw/zinc/95/66/85/179956685.db2.gz GIEBRFFHDGYPHV-XLDPMVHQSA-N 1 0 275.274 2.017 10 0 CEAERO CC[NH2+][C@H]1COC[C@H]1c1nc2cnccc2n1C(C)(C)C ZINC000090472924 179990127 /nfs/dbraw/zinc/99/01/27/179990127.db2.gz KUUPAWHIOXGRFY-YPMHNXCESA-N 1 0 288.395 2.278 10 0 CEAERO CC[NH2+][C@@H]1COC[C@@H]1C(=O)N(Cc1ccccc1)C(C)C ZINC000090487612 179991344 /nfs/dbraw/zinc/99/13/44/179991344.db2.gz QSMXCHTYOMEKNL-JKSUJKDBSA-N 1 0 290.407 2.048 10 0 CEAERO O[C@H]1COCC[C@H]1[NH2+]Cc1cccc(Cl)c1Cl ZINC000623764749 350106215 /nfs/dbraw/zinc/10/62/15/350106215.db2.gz JKVNCWHZMNWVMR-MNOVXSKESA-N 1 0 276.163 2.233 10 0 CEAERO CC(C)Cc1ccc(C[NH2+][C@H]2CCOC[C@@H]2O)cc1 ZINC000623765677 350106348 /nfs/dbraw/zinc/10/63/48/350106348.db2.gz VZJVGCCHXGEQLH-HOTGVXAUSA-N 1 0 263.381 2.125 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1c1nncn1C1CCCCC1 ZINC000090534705 179999725 /nfs/dbraw/zinc/99/97/25/179999725.db2.gz IVQXARDUBMUZIG-KGLIPLIRSA-N 1 0 278.400 2.265 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(F)cc1C ZINC000090539104 180000263 /nfs/dbraw/zinc/00/02/63/180000263.db2.gz AGULAXIDYGJPGB-GXTWGEPZSA-N 1 0 280.343 2.087 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000090540693 180000392 /nfs/dbraw/zinc/00/03/92/180000392.db2.gz GNEMGSWFOBLKFG-XUWVNRHRSA-N 1 0 294.439 2.040 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)N(CC)c1cccc(C)c1 ZINC000090542709 180000675 /nfs/dbraw/zinc/00/06/75/180000675.db2.gz OJMPLLZPOLGDLN-HOTGVXAUSA-N 1 0 290.407 2.363 10 0 CEAERO CCCC[C@H](CC)CNC(=O)[C@H]1COC[C@@H]1[NH2+]CCC ZINC000090543242 180000913 /nfs/dbraw/zinc/00/09/13/180000913.db2.gz SIGVOUCPDFEXSB-KKUMJFAQSA-N 1 0 284.444 2.334 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)N(C)C1CCC(CC)CC1 ZINC000090542569 180001163 /nfs/dbraw/zinc/00/11/63/180001163.db2.gz HIHNGOVDAOQOAX-FJBKBRRZSA-N 1 0 296.455 2.428 10 0 CEAERO COc1ccc(CSCC2C[NH2+]C2)cc1OC ZINC000090712820 180028596 /nfs/dbraw/zinc/02/85/96/180028596.db2.gz PKGNSPABHKEVAG-UHFFFAOYSA-N 1 0 253.367 2.156 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1CN(C)Cc1cccs1 ZINC000090566145 180005216 /nfs/dbraw/zinc/00/52/16/180005216.db2.gz KFRXVKXNLAMYJR-OCCSQVGLSA-N 1 0 268.426 2.195 10 0 CEAERO C[C@@]1(c2nc3cc(F)ccc3s2)COC[C@H]1[NH3+] ZINC000090573017 180007493 /nfs/dbraw/zinc/00/74/93/180007493.db2.gz GPONTLLWLCZPRC-ZYHUDNBSSA-N 1 0 252.314 2.051 10 0 CEAERO CCCn1c2cc(F)ccc2nc1[C@@]1(C)COC[C@H]1[NH3+] ZINC000090571859 180007799 /nfs/dbraw/zinc/00/77/99/180007799.db2.gz ILEGBBBFMFTFAB-HIFRSBDPSA-N 1 0 277.343 2.201 10 0 CEAERO CCCn1c2ccc(F)cc2nc1[C@]1(C)COC[C@H]1[NH3+] ZINC000090571722 180007983 /nfs/dbraw/zinc/00/79/83/180007983.db2.gz WBAJJIFLDQECMO-UKRRQHHQSA-N 1 0 277.343 2.201 10 0 CEAERO C[C@@]1(c2nc(-c3ccccc3Cl)no2)COC[C@@H]1[NH3+] ZINC000090573649 180008030 /nfs/dbraw/zinc/00/80/30/180008030.db2.gz LIBCORRZBFDYBP-GXFFZTMASA-N 1 0 279.727 2.005 10 0 CEAERO C[C@@]1(C(=O)Nc2ccc3ccccc3c2)COC[C@H]1[NH3+] ZINC000090585809 180009416 /nfs/dbraw/zinc/00/94/16/180009416.db2.gz FAGHZMHRZGHYHB-GDBMZVCRSA-N 1 0 270.332 2.142 10 0 CEAERO CCN(Cc1ccccc1Cl)C(=O)[C@]1(C)COC[C@@H]1[NH3+] ZINC000090592299 180010577 /nfs/dbraw/zinc/01/05/77/180010577.db2.gz OQEXHZWMHXHDEE-DZGCQCFKSA-N 1 0 296.798 2.052 10 0 CEAERO CCCC[NH+](CCCC)[C@@H](CN)CC(OC)OC ZINC000090625047 180015657 /nfs/dbraw/zinc/01/56/57/180015657.db2.gz MXMLXLMKYPLJBL-CYBMUJFWSA-N 1 0 260.422 2.225 10 0 CEAERO COC(C[C@H](C[NH3+])N(C)Cc1ccc(Cl)s1)OC ZINC000090625165 180015845 /nfs/dbraw/zinc/01/58/45/180015845.db2.gz MOCTYIWXILAAOF-SECBINFHSA-N 1 0 292.832 2.170 10 0 CEAERO Cc1ccc(C=O)cc1OCCCCN1CC[NH+](C)CC1 ZINC000090669013 180020006 /nfs/dbraw/zinc/02/00/06/180020006.db2.gz XZWNEXZTVBWAEA-UHFFFAOYSA-N 1 0 290.407 2.214 10 0 CEAERO C[C@@H](O[C@H](C)C(F)(F)F)C(=O)Nc1cccc(C[NH3+])c1 ZINC000090671959 180021023 /nfs/dbraw/zinc/02/10/23/180021023.db2.gz CNNUYODNEGPQOK-RKDXNWHRSA-N 1 0 290.285 2.440 10 0 CEAERO C[NH2+][C@](C)(CO)CCCCO[C@@H](C)C(F)(F)F ZINC000090675986 180022558 /nfs/dbraw/zinc/02/25/58/180022558.db2.gz FLAOZEMXXKASRC-UWVGGRQHSA-N 1 0 257.296 2.095 10 0 CEAERO CN(CC[C@H]1CCCC[NH2+]1)CC(=O)Nc1ccc(F)cc1 ZINC000090693384 180025239 /nfs/dbraw/zinc/02/52/39/180025239.db2.gz HQSIIKDJZPZSPX-CQSZACIVSA-N 1 0 293.386 2.228 10 0 CEAERO CN(CC[C@@H]1CCCC[NH2+]1)CC(=O)Nc1cccc(F)c1 ZINC000090693463 180025407 /nfs/dbraw/zinc/02/54/07/180025407.db2.gz YSAKFLXQRDGIJL-AWEZNQCLSA-N 1 0 293.386 2.228 10 0 CEAERO FC(F)(F)COCCN1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000090693919 180026052 /nfs/dbraw/zinc/02/60/52/180026052.db2.gz IHABLOLOGDLERA-VXGBXAGGSA-N 1 0 280.334 2.029 10 0 CEAERO CN(c1ncncc1Br)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000090781827 180039374 /nfs/dbraw/zinc/03/93/74/180039374.db2.gz KMQJHOBQNNVACJ-KOLCDFICSA-N 1 0 299.216 2.193 10 0 CEAERO CCCOc1cc(N(C)CC[NH2+]C(C)(C)C)ncn1 ZINC000090785440 180039923 /nfs/dbraw/zinc/03/99/23/180039923.db2.gz MVOZIORRAYLJMN-UHFFFAOYSA-N 1 0 266.389 2.090 10 0 CEAERO CCOc1cc(NC[C@H]2CCCC[C@@H]2C[NH3+])ncn1 ZINC000090784830 180040261 /nfs/dbraw/zinc/04/02/61/180040261.db2.gz PAVHTSYKNVPMSV-VXGBXAGGSA-N 1 0 264.373 2.052 10 0 CEAERO CC(C)Oc1cc(N[C@@H](C[NH3+])c2ccccc2)ncn1 ZINC000090786635 180040693 /nfs/dbraw/zinc/04/06/93/180040693.db2.gz JGZWMUGTXQSJRZ-ZDUSSCGKSA-N 1 0 272.352 2.376 10 0 CEAERO CCC[NH2+]C[C@H]1CCCN1c1ncnc(OCC)c1C ZINC000090789878 180042202 /nfs/dbraw/zinc/04/22/02/180042202.db2.gz WFLASGBXDRPCPO-CYBMUJFWSA-N 1 0 278.400 2.152 10 0 CEAERO CCOc1ncnc(NCC[NH+]2CCC(C)CC2)c1C ZINC000090790959 180042839 /nfs/dbraw/zinc/04/28/39/180042839.db2.gz SLEORKGOENTOGN-UHFFFAOYSA-N 1 0 278.400 2.328 10 0 CEAERO CCOc1ncnc(N[C@H](C[NH+](C)C)C(C)C)c1C ZINC000090791055 180043132 /nfs/dbraw/zinc/04/31/32/180043132.db2.gz JRIYNIPZWWHSSK-GFCCVEGCSA-N 1 0 266.389 2.182 10 0 CEAERO COc1ccc([C@H](C)[NH2+]C[C@@H](C)[S@](C)=O)c(OC)c1 ZINC000090841832 180043270 /nfs/dbraw/zinc/04/32/70/180043270.db2.gz OOVIDSYFRNTDSL-RMDKCXRXSA-N 1 0 285.409 2.121 10 0 CEAERO CC[C@H]([NH2+]C[C@@H](C)[S@](C)=O)c1ccc2c(c1)CCO2 ZINC000090841655 180043519 /nfs/dbraw/zinc/04/35/19/180043519.db2.gz FHALJTZVHSJHKV-CILWKZBWSA-N 1 0 281.421 2.429 10 0 CEAERO C[NH2+][C@@H]1C[C@@H](OC2CCOCC2)C12CCCCC2 ZINC000090862598 180047309 /nfs/dbraw/zinc/04/73/09/180047309.db2.gz QQCNPMHLTUWBGD-ZIAGYGMSSA-N 1 0 253.386 2.493 10 0 CEAERO CC[NH2+][C@@H]1C[C@H](Oc2ccc(S(C)(=O)=O)cc2)C1(C)C ZINC000090861995 180047376 /nfs/dbraw/zinc/04/73/76/180047376.db2.gz MOWASJCLHZVSND-KGLIPLIRSA-N 1 0 297.420 2.246 10 0 CEAERO C[NH2+]Cc1cccc(SCC(=O)NCC(C)C)c1 ZINC000090870992 180049056 /nfs/dbraw/zinc/04/90/56/180049056.db2.gz YFTHOOVYUYQGEZ-UHFFFAOYSA-N 1 0 266.410 2.270 10 0 CEAERO COc1ncccc1C[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000090874319 180049842 /nfs/dbraw/zinc/04/98/42/180049842.db2.gz AGMHWQDSLNGBNI-AWEZNQCLSA-N 1 0 270.332 2.184 10 0 CEAERO CC[NH2+]Cc1cccc(SC[C@@H](O)COCC)c1 ZINC000090871295 180049903 /nfs/dbraw/zinc/04/99/03/180049903.db2.gz VTEKNCJNOGFLLI-ZDUSSCGKSA-N 1 0 269.410 2.286 10 0 CEAERO CCC[NH2+]Cc1cccc(S[C@H](C)C(N)=O)c1 ZINC000090871727 180050101 /nfs/dbraw/zinc/05/01/01/180050101.db2.gz TVRSWOBJMINVKZ-SNVBAGLBSA-N 1 0 252.383 2.152 10 0 CEAERO CC(C)C[C@@H]1C[NH2+]CCN1C[C@@H]1Cc2ccccc2O1 ZINC000090878268 180051682 /nfs/dbraw/zinc/05/16/82/180051682.db2.gz GBVRKDUEFHMVSO-CVEARBPZSA-N 1 0 274.408 2.310 10 0 CEAERO CCC(CC)[N@H+](CCO)C[C@H]1Cc2ccccc2O1 ZINC000090876821 180051712 /nfs/dbraw/zinc/05/17/12/180051712.db2.gz RHPTXBSZOIBGRC-OAHLLOKOSA-N 1 0 263.381 2.473 10 0 CEAERO [NH3+]Cc1nn(C[C@@H]2Cc3ccccc3O2)c2ccccc12 ZINC000090877723 180052301 /nfs/dbraw/zinc/05/23/01/180052301.db2.gz KGLQGZFKKKALAL-ZDUSSCGKSA-N 1 0 279.343 2.499 10 0 CEAERO C[C@H]1CN(C[C@@H]2Cc3ccccc3O2)C(C)(C)C[NH2+]1 ZINC000090878281 180052355 /nfs/dbraw/zinc/05/23/55/180052355.db2.gz FCUILNIPQWSVFL-JSGCOSHPSA-N 1 0 260.381 2.062 10 0 CEAERO Fc1ccc2c(c1)C[C@@H](C[NH2+]Cc1cccnc1)O2 ZINC000090892055 180053568 /nfs/dbraw/zinc/05/35/68/180053568.db2.gz WIWIROLTUDZZAW-AWEZNQCLSA-N 1 0 258.296 2.314 10 0 CEAERO COC[C@H]([NH2+]C[C@@H]1Cc2cc(F)ccc2O1)C(C)C ZINC000090892964 180054757 /nfs/dbraw/zinc/05/47/57/180054757.db2.gz PGICMBNUTNCQKU-KBPBESRZSA-N 1 0 267.344 2.390 10 0 CEAERO NC(=[NH2+])c1cccc(OC[C@@H]2Cc3cc(F)ccc3O2)c1 ZINC000090893389 180054774 /nfs/dbraw/zinc/05/47/74/180054774.db2.gz IACWDPGYYBNSGZ-AWEZNQCLSA-N 1 0 286.306 2.492 10 0 CEAERO Fc1ccc2c(c1)C[C@@H](COC[C@H]1CCCC[NH2+]1)O2 ZINC000090893684 180055511 /nfs/dbraw/zinc/05/55/11/180055511.db2.gz UAUFCSSPPIBGQH-KGLIPLIRSA-N 1 0 265.328 2.288 10 0 CEAERO Cc1nn(C[C@H]2Cc3cc(F)ccc3O2)c(C)c1C[NH3+] ZINC000090894370 180055667 /nfs/dbraw/zinc/05/56/67/180055667.db2.gz BZLQDVSQHGSGGA-CYBMUJFWSA-N 1 0 275.327 2.101 10 0 CEAERO Cc1cc(C[NH2+]C[C@@H]2Cc3cc(C)ccc3O2)on1 ZINC000090897825 180056850 /nfs/dbraw/zinc/05/68/50/180056850.db2.gz PICRKUOGQZTMQR-ZDUSSCGKSA-N 1 0 258.321 2.385 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[NH2+][C@H]1CCN(C3CC3)C1)O2 ZINC000090897806 180057167 /nfs/dbraw/zinc/05/71/67/180057167.db2.gz JWYFCVBJGAZKNI-GOEBONIOSA-N 1 0 272.392 2.125 10 0 CEAERO CC[C@@H]([NH3+])Cc1nccn1C[C@H]1Cc2cc(C)ccc2O1 ZINC000090901600 180059332 /nfs/dbraw/zinc/05/93/32/180059332.db2.gz CHBDCKXZAYMWSO-HUUCEWRRSA-N 1 0 285.391 2.475 10 0 CEAERO [NH3+]C[C@H](c1cc2ccccc2o1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905674 180060117 /nfs/dbraw/zinc/06/01/17/180060117.db2.gz WIBNFRVBSNESCD-HZSPNIEDSA-N 1 0 272.348 2.296 10 0 CEAERO C[C@](C[NH3+])(CCc1ccccc1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905823 180061437 /nfs/dbraw/zinc/06/14/37/180061437.db2.gz HCBAIQFBQBSZDY-IXDOHACOSA-N 1 0 274.408 2.200 10 0 CEAERO CC[NH2+]Cc1ccccc1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000090907873 180062075 /nfs/dbraw/zinc/06/20/75/180062075.db2.gz IICZYMRCJIYUJV-IYBDPMFKSA-N 1 0 260.381 2.159 10 0 CEAERO [NH3+][C@H](CCN1C[C@H]2CC[C@@H](C1)O2)c1ccccc1F ZINC000090907531 180062177 /nfs/dbraw/zinc/06/21/77/180062177.db2.gz HNQHYZWMGFYKOV-TYNCELHUSA-N 1 0 264.344 2.079 10 0 CEAERO [NH3+]CCc1nc(CN2CCOc3ccccc3C2)cs1 ZINC000090958627 180075112 /nfs/dbraw/zinc/07/51/12/180075112.db2.gz VAJDJKRICSDNBA-UHFFFAOYSA-N 1 0 289.404 2.039 10 0 CEAERO CCOCCC[NH2+]Cc1sccc1NC(C)=O ZINC000090959020 180075656 /nfs/dbraw/zinc/07/56/56/180075656.db2.gz IJMODOMNYYHJRY-UHFFFAOYSA-N 1 0 256.371 2.223 10 0 CEAERO COC[C@H](C)C[NH2+]Cc1sccc1NC(C)=O ZINC000090960543 180075694 /nfs/dbraw/zinc/07/56/94/180075694.db2.gz BHWFZAITGCAPAD-SECBINFHSA-N 1 0 256.371 2.079 10 0 CEAERO CC(C)[C@@H](CNCc1ccccc1N)[NH+]1CCCC1 ZINC000090961342 180076155 /nfs/dbraw/zinc/07/61/55/180076155.db2.gz SZAYDPHEPCMLIV-MRXNPFEDSA-N 1 0 261.413 2.479 10 0 CEAERO C[C@H]([NH2+]Cc1ccccc1N)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000090962095 180076324 /nfs/dbraw/zinc/07/63/24/180076324.db2.gz QMBDVMOPLSARJQ-JTQLQIEISA-N 1 0 282.347 2.289 10 0 CEAERO CCN1CCC[C@H]([NH2+]Cc2ccccc2NC(C)=O)C1 ZINC000090962324 180076337 /nfs/dbraw/zinc/07/63/37/180076337.db2.gz KUFPAUAYFBTOKX-HNNXBMFYSA-N 1 0 275.396 2.219 10 0 CEAERO [NH3+]C[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc21 ZINC000090987174 180080852 /nfs/dbraw/zinc/08/08/52/180080852.db2.gz ICZYKWCGZPFXLE-DOTOQJQBSA-N 1 0 280.371 2.013 10 0 CEAERO O=C([C@@H]1Cc2ccccc21)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000090985464 180080907 /nfs/dbraw/zinc/08/09/07/180080907.db2.gz ZBEABTLICZDSTA-IKGGRYGDSA-N 1 0 284.403 2.459 10 0 CEAERO [NH3+]C[C@@H](NC(=O)[C@@H]1Cc2ccccc21)c1ccccc1 ZINC000090987170 180080972 /nfs/dbraw/zinc/08/09/72/180080972.db2.gz LLLBIANNMXJUOT-HZPDHXFCSA-N 1 0 266.344 2.143 10 0 CEAERO C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1Cc2ccccc21 ZINC000090985555 180081021 /nfs/dbraw/zinc/08/10/21/180081021.db2.gz AENURWPRLMTXRF-GOEBONIOSA-N 1 0 272.392 2.317 10 0 CEAERO CC(C)(C)OC[C@@H](O)C[NH2+]C[C@H]1Cc2ccccc21 ZINC000090992510 180081881 /nfs/dbraw/zinc/08/18/81/180081881.db2.gz RFKDAVBARVSDHR-KGLIPLIRSA-N 1 0 263.381 2.092 10 0 CEAERO CCc1nc2c(n1C[C@@H]1Cc3ccccc31)CC[NH2+]C2 ZINC000090993439 180081888 /nfs/dbraw/zinc/08/18/88/180081888.db2.gz IIGJXXDIJNDPPK-ZDUSSCGKSA-N 1 0 267.376 2.431 10 0 CEAERO [NH3+]CC1(C(=O)NC[C@H]2Cc3ccccc32)CCCCC1 ZINC000090992992 180081909 /nfs/dbraw/zinc/08/19/09/180081909.db2.gz OQSQUNFMKGOGJB-CQSZACIVSA-N 1 0 272.392 2.352 10 0 CEAERO O[C@H](C[NH2+]C[C@@H]1Cc2ccccc21)COC1CCCC1 ZINC000090992462 180081962 /nfs/dbraw/zinc/08/19/62/180081962.db2.gz ILBIVYFGBOQKJM-LSDHHAIUSA-N 1 0 275.392 2.236 10 0 CEAERO Cc1nccn1CCn1cc(C[NH3+])c2ccccc21 ZINC000090995007 180082677 /nfs/dbraw/zinc/08/26/77/180082677.db2.gz NOZAFMBMORYOPH-UHFFFAOYSA-N 1 0 254.337 2.305 10 0 CEAERO CC[NH2+]Cc1cn(Cc2nnc(C)o2)c2ccccc12 ZINC000090995385 180082922 /nfs/dbraw/zinc/08/29/22/180082922.db2.gz LRRFRNMJDMDPQO-UHFFFAOYSA-N 1 0 270.336 2.491 10 0 CEAERO CC[NH2+]Cc1cccn1CC(=O)Nc1ccc(F)cc1 ZINC000090996046 180083198 /nfs/dbraw/zinc/08/31/98/180083198.db2.gz WVXGTAHULKZUQX-UHFFFAOYSA-N 1 0 275.327 2.375 10 0 CEAERO COc1c(C)cnc(Cn2cccc2CC[NH3+])c1C ZINC000091004898 180084025 /nfs/dbraw/zinc/08/40/25/180084025.db2.gz LZLBZYIWRSVJKB-UHFFFAOYSA-N 1 0 259.353 2.058 10 0 CEAERO Cc1nn(C)c(Cn2ccc(C[C@@H](C)[NH3+])c2)c1Cl ZINC000091006065 180084874 /nfs/dbraw/zinc/08/48/74/180084874.db2.gz RIWIMVCHDGMWOR-SECBINFHSA-N 1 0 266.776 2.121 10 0 CEAERO CC(C)[C@H](CN(C)C)[NH2+]Cc1c[nH]c2ncccc12 ZINC000091017610 180086953 /nfs/dbraw/zinc/08/69/53/180086953.db2.gz DUMWBLJEVDUANK-AWEZNQCLSA-N 1 0 260.385 2.239 10 0 CEAERO C[C@@H]1CCC[C@@H](C[NH3+])N1Cc1c[nH]c2ncccc12 ZINC000091019720 180087635 /nfs/dbraw/zinc/08/76/35/180087635.db2.gz SFOJJYRPMYJOGE-YPMHNXCESA-N 1 0 258.369 2.265 10 0 CEAERO CC(C)C[C@](C)(O)C[NH2+]Cc1c[nH]c2ncccc12 ZINC000091019166 180087656 /nfs/dbraw/zinc/08/76/56/180087656.db2.gz RBMTXYRYKDIQMA-HNNXBMFYSA-N 1 0 261.369 2.450 10 0 CEAERO CCCn1cncc1Cn1cc(C[NH3+])c2cccnc21 ZINC000091019236 180087663 /nfs/dbraw/zinc/08/76/63/180087663.db2.gz WBZGWFFMHPVAOY-UHFFFAOYSA-N 1 0 269.352 2.150 10 0 CEAERO C[NH2+]Cc1cn(Cc2c(C)noc2C)c2ncccc12 ZINC000091019665 180087923 /nfs/dbraw/zinc/08/79/23/180087923.db2.gz CCNCURYICGLHDA-UHFFFAOYSA-N 1 0 270.336 2.409 10 0 CEAERO CC[NH2+]Cc1cn(Cc2cnn(CC)c2)c2ncccc12 ZINC000091020070 180088185 /nfs/dbraw/zinc/08/81/85/180088185.db2.gz FALZVBLTGOULRR-UHFFFAOYSA-N 1 0 283.379 2.411 10 0 CEAERO c1c(C[NH2+]C2CC2)c2cccnc2n1Cc1ncccn1 ZINC000091020878 180088719 /nfs/dbraw/zinc/08/87/19/180088719.db2.gz GOSNKAXGAOICPB-UHFFFAOYSA-N 1 0 279.347 2.127 10 0 CEAERO [NH3+]CCc1cn(CCc2ccccn2)c2ncccc12 ZINC000091021513 180088747 /nfs/dbraw/zinc/08/87/47/180088747.db2.gz DHVZBGDIICUBEW-UHFFFAOYSA-N 1 0 266.348 2.175 10 0 CEAERO C[C@H]([NH3+])Cc1cn(CC(F)(F)F)c2ncccc12 ZINC000091021817 180088959 /nfs/dbraw/zinc/08/89/59/180088959.db2.gz COYLRDVURZTEDG-QMMMGPOBSA-N 1 0 257.259 2.488 10 0 CEAERO CC(C)(C)CCOC(=O)c1csc(CC[NH3+])n1 ZINC000090940009 180068017 /nfs/dbraw/zinc/06/80/17/180068017.db2.gz MIOLRCJEZMMALW-UHFFFAOYSA-N 1 0 256.371 2.237 10 0 CEAERO [NH3+]CCc1nc(-c2nc3cccnc3s2)cs1 ZINC000090936129 180068404 /nfs/dbraw/zinc/06/84/04/180068404.db2.gz ANOXGFMNPKQHFW-UHFFFAOYSA-N 1 0 262.363 2.316 10 0 CEAERO Cc1ccc(NC(=O)c2csc(CC[NH3+])n2)cc1F ZINC000090946005 180069306 /nfs/dbraw/zinc/06/93/06/180069306.db2.gz BPDIVKWDVHLYNC-UHFFFAOYSA-N 1 0 279.340 2.344 10 0 CEAERO [NH3+]CCc1nc(-c2n[nH]c(-c3ccccc3)n2)cs1 ZINC000090945093 180069468 /nfs/dbraw/zinc/06/94/68/180069468.db2.gz MFHGMLOTAFLQEI-UHFFFAOYSA-N 1 0 271.349 2.096 10 0 CEAERO [NH3+]CCc1nc(-c2nncn2C2CCCC2)cs1 ZINC000090945143 180069520 /nfs/dbraw/zinc/06/95/20/180069520.db2.gz YAUZKQOEEBYSBG-UHFFFAOYSA-N 1 0 263.370 2.018 10 0 CEAERO CCCn1cccc1C[NH2+]C[C@@H]1CCC[C@@H]1CO ZINC000091127992 180099450 /nfs/dbraw/zinc/09/94/50/180099450.db2.gz OKGZYCKFFGZTDB-UONOGXRCSA-N 1 0 250.386 2.396 10 0 CEAERO CCn1cccc1C[NH2+]C[C@H]1CCCC[C@H]1CO ZINC000091128007 180099607 /nfs/dbraw/zinc/09/96/07/180099607.db2.gz NXXMZQZDTRPESA-KGLIPLIRSA-N 1 0 250.386 2.396 10 0 CEAERO CCn1c(C[C@@H]2CSCC[NH2+]2)nc2cc(F)ccc21 ZINC000091128526 180100551 /nfs/dbraw/zinc/10/05/51/180100551.db2.gz KBFHSCNOYGRNKK-LLVKDONJSA-N 1 0 279.384 2.443 10 0 CEAERO CCCNC(=O)C[C@@H](CN)[N@@H+]1CCC[C@@H](CCC)CC1 ZINC000091317704 180133863 /nfs/dbraw/zinc/13/38/63/180133863.db2.gz CNNLXVTUOBCLMU-CABCVRRESA-N 1 0 283.460 2.132 10 0 CEAERO CC(C)NC(=O)C[C@@H](C[NH3+])N(Cc1cccs1)C(C)C ZINC000091318497 180133873 /nfs/dbraw/zinc/13/38/73/180133873.db2.gz VUOQPQHUAOFICL-ZDUSSCGKSA-N 1 0 297.468 2.201 10 0 CEAERO CCCNC(=O)C[C@H](C[NH3+])N(C)[C@@H](C)c1ccccc1F ZINC000091317532 180134043 /nfs/dbraw/zinc/13/40/43/180134043.db2.gz VNGRXSCHRIPUNW-QWHCGFSZSA-N 1 0 295.402 2.062 10 0 CEAERO CC(C)NC(=O)C[C@@H](C[NH3+])N1CCC2(CCCCC2)CC1 ZINC000091318671 180134081 /nfs/dbraw/zinc/13/40/81/180134081.db2.gz RRRODFIZEINDME-HNNXBMFYSA-N 1 0 295.471 2.275 10 0 CEAERO CCN(CC)C(=O)C[C@H](C[NH3+])N(CC)c1cccc(C)c1 ZINC000091322709 180134740 /nfs/dbraw/zinc/13/47/40/180134740.db2.gz BDRPSNACUHDALJ-MRXNPFEDSA-N 1 0 291.439 2.407 10 0 CEAERO C[C@H](CO)CSc1cc(C(N)=[NH2+])c2ccccc2n1 ZINC000091256584 180115326 /nfs/dbraw/zinc/11/53/26/180115326.db2.gz XSRTURICAADHRA-SECBINFHSA-N 1 0 275.377 2.239 10 0 CEAERO COc1cccc([C@H]([NH3+])CSC[C@@H](C)CO)c1 ZINC000091260673 180116231 /nfs/dbraw/zinc/11/62/31/180116231.db2.gz ZLUNXRTXWRPZPN-GXFFZTMASA-N 1 0 255.383 2.057 10 0 CEAERO CCCN(Cc1cncn1C(C)C)[C@@H]1CC[NH2+]C1 ZINC000091273012 180117922 /nfs/dbraw/zinc/11/79/22/180117922.db2.gz UMRKFKIDISAVBN-CYBMUJFWSA-N 1 0 250.390 2.038 10 0 CEAERO C[NH2+][C@@H]1CCCc2nc(-c3cncn3C3CC3)ncc21 ZINC000091274876 180119097 /nfs/dbraw/zinc/11/90/97/180119097.db2.gz YLNQXMIRWXMRJI-GFCCVEGCSA-N 1 0 269.352 2.272 10 0 CEAERO CN(CC1CCCC1)[C@H](C[NH3+])c1cncn1C1CC1 ZINC000091276566 180119645 /nfs/dbraw/zinc/11/96/45/180119645.db2.gz UVQUMFFCUCDSFA-CQSZACIVSA-N 1 0 262.401 2.340 10 0 CEAERO CN(c1cccc(F)c1)[C@H](C[NH3+])c1cncn1C1CC1 ZINC000091276494 180120023 /nfs/dbraw/zinc/12/00/23/180120023.db2.gz BHTARUNFRTXHLP-CQSZACIVSA-N 1 0 274.343 2.493 10 0 CEAERO CCC1CCN([C@@H](C[NH3+])c2cncn2C2CC2)CC1 ZINC000091276335 180120408 /nfs/dbraw/zinc/12/04/08/180120408.db2.gz GCEJQFRTUNPCSJ-AWEZNQCLSA-N 1 0 262.401 2.340 10 0 CEAERO Cn1cncc1COc1cccc2c1CCC[C@H]2[NH3+] ZINC000091278492 180120915 /nfs/dbraw/zinc/12/09/15/180120915.db2.gz MAWGSOPLXFNVPM-CQSZACIVSA-N 1 0 257.337 2.335 10 0 CEAERO Fc1cccc2c1nc(C[C@@H]1C[NH2+]CCO1)n2C1CC1 ZINC000091293293 180124336 /nfs/dbraw/zinc/12/43/36/180124336.db2.gz HRVVPEXSMPMXIH-LLVKDONJSA-N 1 0 275.327 2.041 10 0 CEAERO CC[C@@H]1CCC[C@H](c2noc(C[C@@H]3C[NH2+]CCO3)n2)C1 ZINC000091295191 180124747 /nfs/dbraw/zinc/12/47/47/180124747.db2.gz KQFPODMCMWANRK-FRRDWIJNSA-N 1 0 279.384 2.284 10 0 CEAERO O=C(C[C@H]1C[NH2+]CCO1)Nc1ccccc1C(F)(F)F ZINC000091298921 180125433 /nfs/dbraw/zinc/12/54/33/180125433.db2.gz XKWVROXSFYPNMD-VIFPVBQESA-N 1 0 288.269 2.022 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCNC1=O)c1ccc(F)cc1C(F)(F)F ZINC000624010423 350169718 /nfs/dbraw/zinc/16/97/18/350169718.db2.gz OKAAGMHHUYCYJG-RDDDGLTNSA-N 1 0 290.260 2.384 10 0 CEAERO OC1CC([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000091429337 180153002 /nfs/dbraw/zinc/15/30/02/180153002.db2.gz WBNPTWDVGUWLSV-UHFFFAOYSA-N 1 0 283.755 2.114 10 0 CEAERO C[NH2+]Cc1cncc(Oc2cccc(F)c2F)n1 ZINC000091435232 180154310 /nfs/dbraw/zinc/15/43/10/180154310.db2.gz GPYMTPPYYJOHHH-UHFFFAOYSA-N 1 0 251.236 2.267 10 0 CEAERO CCC[C@]1(Cc2ncnn2CC(C)C)CCC[NH2+]1 ZINC000091445375 180156460 /nfs/dbraw/zinc/15/64/60/180156460.db2.gz WAMVSTUCPLILKF-CQSZACIVSA-N 1 0 250.390 2.399 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccc(C)o1)N(C)CC1CC(O)C1 ZINC000091451132 180158657 /nfs/dbraw/zinc/15/86/57/180158657.db2.gz RXNSYCQNKOUTQS-NSOJWWLLSA-N 1 0 266.385 2.069 10 0 CEAERO C[N@@H+](Cc1cc2ccccc2nc1N)CC1CC(O)C1 ZINC000091451229 180159274 /nfs/dbraw/zinc/15/92/74/180159274.db2.gz GOLJYVWGJCZZSP-UHFFFAOYSA-N 1 0 271.364 2.020 10 0 CEAERO CN(C(=O)c1ccncc1Cl)[C@H]1CCCC[C@H]1C[NH3+] ZINC000091457166 180160861 /nfs/dbraw/zinc/16/08/61/180160861.db2.gz NEXMCSSFIZEYIN-GWCFXTLKSA-N 1 0 281.787 2.325 10 0 CEAERO C[NH2+]CCCc1nnc(-c2ccncc2Cl)s1 ZINC000091465379 180163959 /nfs/dbraw/zinc/16/39/59/180163959.db2.gz SMYCAUOXXQMFQG-UHFFFAOYSA-N 1 0 268.773 2.406 10 0 CEAERO COc1ccc(C)cc1C[C@@H](O)C[NH2+]C(C)(C)C ZINC000091466996 180164165 /nfs/dbraw/zinc/16/41/65/180164165.db2.gz GZSKXAPIFKAAPO-CYBMUJFWSA-N 1 0 251.370 2.295 10 0 CEAERO CCC[NH2+]C[C@H](O)Cc1ccn(C2CCCCC2)n1 ZINC000091467995 180164545 /nfs/dbraw/zinc/16/45/45/180164545.db2.gz JHEGUOSCCDJNOK-OAHLLOKOSA-N 1 0 265.401 2.291 10 0 CEAERO CCC(CC)n1ccc(C[C@H](O)C[NH2+]C(C)C)n1 ZINC000091469795 180164861 /nfs/dbraw/zinc/16/48/61/180164861.db2.gz VPOAGGYOKRKKQH-AWEZNQCLSA-N 1 0 253.390 2.146 10 0 CEAERO COc1cccc(C[C@@](C)(O)CC[NH2+]C(C)C)c1 ZINC000091468115 180165020 /nfs/dbraw/zinc/16/50/20/180165020.db2.gz JDXBEWKQIUTPQT-HNNXBMFYSA-N 1 0 251.370 2.377 10 0 CEAERO CN(CC1CC([NH3+])C1)C(=O)Nc1ccc(F)cc1 ZINC000091474232 180165247 /nfs/dbraw/zinc/16/52/47/180165247.db2.gz GTTWUDYHYJBIJF-UHFFFAOYSA-N 1 0 251.305 2.027 10 0 CEAERO CSC1(C(N)=S)CC[NH+](Cc2ccncc2)CC1 ZINC000091478104 180166078 /nfs/dbraw/zinc/16/60/78/180166078.db2.gz PVQIFDWJVSJFDS-UHFFFAOYSA-N 1 0 281.450 2.065 10 0 CEAERO C[NH2+][C@@H]1CCN(c2cc(C(F)(F)F)ccc2C)C1=O ZINC000091480235 180166706 /nfs/dbraw/zinc/16/67/06/180166706.db2.gz OJUCSEPKRCFZDK-SNVBAGLBSA-N 1 0 272.270 2.339 10 0 CEAERO CC(C)c1ccccc1NC(=O)C[N@H+](C)CC1CC(O)C1 ZINC000091490849 180170097 /nfs/dbraw/zinc/17/00/97/180170097.db2.gz CSZWHOUTWQRVEM-UHFFFAOYSA-N 1 0 290.407 2.451 10 0 CEAERO CCCc1ccc(S(=O)(=O)N[C@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000091496817 180172409 /nfs/dbraw/zinc/17/24/09/180172409.db2.gz QZAHAXFLVKRFHU-DOMZBBRYSA-N 1 0 296.436 2.058 10 0 CEAERO C[NH+](C)[C@H]1CCCN(CC(=O)c2ccc(F)cc2F)C1 ZINC000091395582 180146189 /nfs/dbraw/zinc/14/61/89/180146189.db2.gz LANITUDOUBICNH-LBPRGKRZSA-N 1 0 282.334 2.174 10 0 CEAERO OC1CC(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000091416076 180149765 /nfs/dbraw/zinc/14/97/65/180149765.db2.gz OQJZTBGAEXAGQY-SEQHWMEXSA-N 1 0 251.292 2.468 10 0 CEAERO COCCN(CC(C)C)c1cncc(C[NH2+]C(C)(C)C)n1 ZINC000091419956 180150959 /nfs/dbraw/zinc/15/09/59/180150959.db2.gz QGAIBOLLVBPSMN-UHFFFAOYSA-N 1 0 294.443 2.474 10 0 CEAERO CC(C)[C@H]1CCCN1c1cncc(C[NH2+]C2CC2)n1 ZINC000091422188 180151431 /nfs/dbraw/zinc/15/14/31/180151431.db2.gz TYHAESZGASYDSZ-CQSZACIVSA-N 1 0 260.385 2.353 10 0 CEAERO Cc1cccc(NCCN2CCC[C@H]([NH+](C)C)C2)c1 ZINC000091427977 180152680 /nfs/dbraw/zinc/15/26/80/180152680.db2.gz UGLLSQHCZHEDDL-INIZCTEOSA-N 1 0 261.413 2.433 10 0 CEAERO CC[NH+](CC)[C@@H]1CCN(c2c(N)c(C(C)C)nn2C)C1 ZINC000091557409 180190847 /nfs/dbraw/zinc/19/08/47/180190847.db2.gz IXLGVEIQZJWEIB-GFCCVEGCSA-N 1 0 279.432 2.046 10 0 CEAERO CC(C)n1ncnc1C[C@H](O)C(C)(C)[NH+]1CCCCC1 ZINC000091564006 180192729 /nfs/dbraw/zinc/19/27/29/180192729.db2.gz HQOFVTZQQATNRS-ZDUSSCGKSA-N 1 0 280.416 2.027 10 0 CEAERO CCC[NH2+][C@@H](c1ccnn1C)C(C)(C)N1CCCC1 ZINC000091563590 180192776 /nfs/dbraw/zinc/19/27/76/180192776.db2.gz YUENQPPZTSBHNO-AWEZNQCLSA-N 1 0 264.417 2.335 10 0 CEAERO C[NH2+][C@H](Cc1ccncc1)C(C)(C)N1CCCCC1 ZINC000091564976 180193482 /nfs/dbraw/zinc/19/34/82/180193482.db2.gz OBSDTEVTXFRBSR-OAHLLOKOSA-N 1 0 261.413 2.477 10 0 CEAERO CCOc1ccccc1[C@H]([NH3+])C(C)(C)N1CCOCC1 ZINC000091566359 180193899 /nfs/dbraw/zinc/19/38/99/180193899.db2.gz QAQVUSRLQHUIBL-HNNXBMFYSA-N 1 0 278.396 2.196 10 0 CEAERO C[NH2+][C@H](c1ccccc1C)C(C)(C)N1CCOCC1 ZINC000091566434 180194106 /nfs/dbraw/zinc/19/41/06/180194106.db2.gz ONDRLSWMJAGYJZ-OAHLLOKOSA-N 1 0 262.397 2.366 10 0 CEAERO C[NH2+][C@@H](c1cc(C)ccc1OC)C(C)(C)N1CCOCC1 ZINC000091566740 180194702 /nfs/dbraw/zinc/19/47/02/180194702.db2.gz YHJXSDVUJFHOPQ-INIZCTEOSA-N 1 0 292.423 2.375 10 0 CEAERO C[NH2+][C@H](Cc1cnccc1N)C(C)(C)N1CCCCCC1 ZINC000091568308 180194898 /nfs/dbraw/zinc/19/48/98/180194898.db2.gz QTBLCNMDSMQBAQ-MRXNPFEDSA-N 1 0 290.455 2.449 10 0 CEAERO CC[C@H](C)n1ccc(C[C@H](N)[C@@](C)(CC)[NH+](C)C)n1 ZINC000091569721 180195601 /nfs/dbraw/zinc/19/56/01/180195601.db2.gz KBHBIIUGACRRSR-AEGPPILISA-N 1 0 266.433 2.454 10 0 CEAERO CCC[NH2+][C@@H](c1cnccc1N)[C@](C)(CC)N(C)C ZINC000091571890 180196073 /nfs/dbraw/zinc/19/60/73/180196073.db2.gz MDIDLHZZBFNSCS-GJZGRUSLSA-N 1 0 264.417 2.435 10 0 CEAERO CCCn1ncnc1CC(=O)[C@@](C)(CC)[NH+](CC)CC ZINC000091572678 180196321 /nfs/dbraw/zinc/19/63/21/180196321.db2.gz UWXCZQZXERYJPT-OAHLLOKOSA-N 1 0 280.416 2.310 10 0 CEAERO CCC[NH2+][C@@H](Cc1cnn(C)c1)[C@](C)(CC)N(C)C ZINC000091571830 180196403 /nfs/dbraw/zinc/19/64/03/180196403.db2.gz RYQNXLZBRPELCL-GJZGRUSLSA-N 1 0 266.433 2.061 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@H](N)Cc1cc(C)nn1C ZINC000091573884 180196604 /nfs/dbraw/zinc/19/66/04/180196604.db2.gz VUAACVKDOSMVQK-CABCVRRESA-N 1 0 266.433 2.109 10 0 CEAERO CC[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1=O)c1cccs1 ZINC000105088517 186041967 /nfs/dbraw/zinc/04/19/67/186041967.db2.gz XBZPUUTYGPWBIG-WDEREUQCSA-N 1 0 278.377 2.079 10 0 CEAERO CC(C)c1nn(C)c(N[C@@H](C)C[NH+]2CCCCC2)c1N ZINC000091584024 180199707 /nfs/dbraw/zinc/19/97/07/180199707.db2.gz WDKVUBZBYQJWFD-LBPRGKRZSA-N 1 0 279.432 2.412 10 0 CEAERO CCN(CC)[C@](C)(CC)[C@H](Cc1cnn(C)c1)[NH2+]C ZINC000091599269 180202107 /nfs/dbraw/zinc/20/21/07/180202107.db2.gz XOXSBMUTCIEJAM-LSDHHAIUSA-N 1 0 266.433 2.061 10 0 CEAERO CCN(CC)[C@](C)(CC)[C@H](Cc1cc(C)nn1C)[NH2+]C ZINC000091599678 180202337 /nfs/dbraw/zinc/20/23/37/180202337.db2.gz PIXHWFDFNFZTBS-JKSUJKDBSA-N 1 0 280.460 2.370 10 0 CEAERO CCN[C@H](c1nccn1C)[C@@](C)(CC)[NH+]1CCCC1 ZINC000091607254 180204137 /nfs/dbraw/zinc/20/41/37/180204137.db2.gz FHBWTIHSYMNWHJ-UKRRQHHQSA-N 1 0 264.417 2.335 10 0 CEAERO CCC(CC)CNC(=O)NC[C@H](C)[NH+](CC)CC ZINC000105124996 186044145 /nfs/dbraw/zinc/04/41/45/186044145.db2.gz KSDCQCNWQPZAOL-LBPRGKRZSA-N 1 0 257.422 2.452 10 0 CEAERO CC[C@](C)([C@H](NC)c1cccnc1N)[NH+]1CCCC1 ZINC000091607006 180204607 /nfs/dbraw/zinc/20/46/07/180204607.db2.gz XWFMDDJOLBNEIC-UKRRQHHQSA-N 1 0 262.401 2.189 10 0 CEAERO CCN[C@@H](c1cnccn1)[C@](C)(CC)[NH+]1CCCC1 ZINC000091607191 180204759 /nfs/dbraw/zinc/20/47/59/180204759.db2.gz SXCKZMOIHAGAKF-GJZGRUSLSA-N 1 0 262.401 2.392 10 0 CEAERO CC[C@](C)([C@@H](O)c1cnn(C)c1)[NH+]1CCCCC1 ZINC000091608776 180205764 /nfs/dbraw/zinc/20/57/64/180205764.db2.gz CYONVEGRFVPVOI-UONOGXRCSA-N 1 0 251.374 2.108 10 0 CEAERO CC[C@@](C)([C@@H](O)c1cccnc1N)[NH+]1CCCCC1 ZINC000091608551 180205766 /nfs/dbraw/zinc/20/57/66/180205766.db2.gz UFJUXUAOFKVLDS-ZFWWWQNUSA-N 1 0 263.385 2.352 10 0 CEAERO CC[C@@](C)([C@H](O)c1cnn(C)c1)[NH+]1CCCCC1 ZINC000091608773 180205887 /nfs/dbraw/zinc/20/58/87/180205887.db2.gz CYONVEGRFVPVOI-KGLIPLIRSA-N 1 0 251.374 2.108 10 0 CEAERO CC[C@](C)([C@H]([NH2+]C)c1cncnc1)N1CCCCC1 ZINC000091609654 180205942 /nfs/dbraw/zinc/20/59/42/180205942.db2.gz WACQUKVVJCWXCL-HUUCEWRRSA-N 1 0 262.401 2.392 10 0 CEAERO CC[C@](C)([C@H]([NH3+])Cc1ccsc1)N1CCOCC1 ZINC000091611894 180206465 /nfs/dbraw/zinc/20/64/65/180206465.db2.gz ZUHGHVPHWSWFNU-ZIAGYGMSSA-N 1 0 268.426 2.119 10 0 CEAERO CC[C@@](C)([C@@H]([NH3+])Cc1ccccc1C)N1CCOCC1 ZINC000091611919 180206481 /nfs/dbraw/zinc/20/64/81/180206481.db2.gz RROKEBMGTYILPV-IRXDYDNUSA-N 1 0 276.424 2.366 10 0 CEAERO CC[NH2+][C@H](c1ccoc1)[C@](C)(CC)N1CCOCC1 ZINC000091612981 180206997 /nfs/dbraw/zinc/20/69/97/180206997.db2.gz NMIIJGGWIZPIEL-CABCVRRESA-N 1 0 266.385 2.431 10 0 CEAERO CC[C@](C)([C@H]([NH3+])c1ccc(F)c(F)c1)N1CCOCC1 ZINC000091611926 180207153 /nfs/dbraw/zinc/20/71/53/180207153.db2.gz BXIPGYAFNCATNA-HUUCEWRRSA-N 1 0 284.350 2.466 10 0 CEAERO CC[NH2+][C@H](Cc1ccccn1)[C@@](C)(CC)N1CCOCC1 ZINC000091612778 180207364 /nfs/dbraw/zinc/20/73/64/180207364.db2.gz HYZJOVXVJSFICE-IAGOWNOFSA-N 1 0 291.439 2.103 10 0 CEAERO CC[C@](C)([C@H]([NH2+]C)C1CCCC1)N1CCOCC1 ZINC000091612378 180207446 /nfs/dbraw/zinc/20/74/46/180207446.db2.gz AUWLLKLNVUKUCK-HUUCEWRRSA-N 1 0 254.418 2.266 10 0 CEAERO CC[NH2+][C@H](c1ccco1)[C@](C)(CC)N1CCOCC1 ZINC000091612889 180207471 /nfs/dbraw/zinc/20/74/71/180207471.db2.gz KNMHUQWACNHULP-CABCVRRESA-N 1 0 266.385 2.431 10 0 CEAERO CCCn1ccnc1[C@](C)(O)CC[NH2+]CC(C)C ZINC000091502882 180175447 /nfs/dbraw/zinc/17/54/47/180175447.db2.gz CICWCHHFUQIALR-CQSZACIVSA-N 1 0 253.390 2.136 10 0 CEAERO COCC[NH2+]CC[C@](C)(O)Cc1ccccc1Cl ZINC000091505549 180176092 /nfs/dbraw/zinc/17/60/92/180176092.db2.gz MPCRWWNOJALPHU-AWEZNQCLSA-N 1 0 271.788 2.260 10 0 CEAERO Cc1cc(F)cc(NC(=O)C[C@H]2CCC[NH2+]C2)c1 ZINC000091514008 180176784 /nfs/dbraw/zinc/17/67/84/180176784.db2.gz YMZWSPINZQEVJY-LLVKDONJSA-N 1 0 250.317 2.462 10 0 CEAERO COCC[NH2+]CC[C@](C)(O)CCc1ccsc1 ZINC000091523484 180178050 /nfs/dbraw/zinc/17/80/50/180178050.db2.gz AUWBIHDBFULECY-CYBMUJFWSA-N 1 0 257.399 2.058 10 0 CEAERO CCCC1CCC(c2noc(C[C@@](C)(O)C[NH3+])n2)CC1 ZINC000091523670 180178130 /nfs/dbraw/zinc/17/81/30/180178130.db2.gz IJQZGJIPFUBGAN-KOHJWAIASA-N 1 0 281.400 2.396 10 0 CEAERO C[C@@](O)(C[NH3+])Cc1nc(C2CCC(C)(C)CC2)no1 ZINC000091523665 180178269 /nfs/dbraw/zinc/17/82/69/180178269.db2.gz VZWCDLRJMSAXKG-AWEZNQCLSA-N 1 0 267.373 2.006 10 0 CEAERO CC(C)(C)n1c2ccccc2nc1C[C@@](C)(O)C[NH3+] ZINC000091520775 180178315 /nfs/dbraw/zinc/17/83/15/180178315.db2.gz DJRGBOFHWUMPEB-OAHLLOKOSA-N 1 0 261.369 2.044 10 0 CEAERO CC[C@@H](C)n1ccc(C[C@H](N)C(C)(C)[NH+](C)C)n1 ZINC000091528389 180179952 /nfs/dbraw/zinc/17/99/52/180179952.db2.gz IFNPDIBCMLUGQE-YPMHNXCESA-N 1 0 252.406 2.064 10 0 CEAERO CC[NH2+][C@H](Cc1cnn(C)c1)C(C)(C)N(CC)CC ZINC000091531375 180180437 /nfs/dbraw/zinc/18/04/37/180180437.db2.gz YPEMPVGNZIPIRK-CQSZACIVSA-N 1 0 266.433 2.061 10 0 CEAERO CC[NH+](CC)C(C)(C)[C@@H](N)Cc1ccn(C(C)C)n1 ZINC000091530547 180180979 /nfs/dbraw/zinc/18/09/79/180180979.db2.gz SHIHAANCYYYRIS-AWEZNQCLSA-N 1 0 266.433 2.454 10 0 CEAERO CC(C)([C@@H](O)c1ccc2c(c1)OCCO2)[NH+]1CCCC1 ZINC000091533205 180181340 /nfs/dbraw/zinc/18/13/40/180181340.db2.gz JDPMXLLUQJKDKW-HNNXBMFYSA-N 1 0 277.364 2.366 10 0 CEAERO [NH3+]C1CC(CNC(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000091538469 180183196 /nfs/dbraw/zinc/18/31/96/180183196.db2.gz YSLMZBZTEJHXDX-UHFFFAOYSA-N 1 0 272.270 2.173 10 0 CEAERO [NH3+][C@H]1CC[C@H](C(=O)Nc2cc(F)c(F)cc2F)C1 ZINC000091546036 180186822 /nfs/dbraw/zinc/18/68/22/180186822.db2.gz CYKSKSSEGZDYPJ-BQBZGAKWSA-N 1 0 258.243 2.170 10 0 CEAERO CC(C)(CNC(=O)[C@@H]1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000091546812 180187548 /nfs/dbraw/zinc/18/75/48/180187548.db2.gz ABNOMPJYIPHGEB-OCCSQVGLSA-N 1 0 260.381 2.208 10 0 CEAERO CC(C)c1nn(C)c(NC[C@H](C)C[NH+]2CCCC2)c1N ZINC000091554879 180189664 /nfs/dbraw/zinc/18/96/64/180189664.db2.gz WHBHVRGKIRADCP-LBPRGKRZSA-N 1 0 279.432 2.270 10 0 CEAERO CCC(CC)([C@H](N)Cc1cccnc1N)[NH+]1CCCC1 ZINC000091634816 180211554 /nfs/dbraw/zinc/21/15/54/180211554.db2.gz GQVRCLSASYQTBP-CQSZACIVSA-N 1 0 276.428 2.188 10 0 CEAERO CC[NH2+][C@@H](Cc1cc(C)nn1C)C1(N(C)C)CCCC1 ZINC000091638093 180212235 /nfs/dbraw/zinc/21/22/35/180212235.db2.gz SVUHSJUMCGCBCM-HNNXBMFYSA-N 1 0 278.444 2.124 10 0 CEAERO Nc1cc(CC(=O)C2([NH+]3CCCC3)CCCC2)ccn1 ZINC000091639983 180212549 /nfs/dbraw/zinc/21/25/49/180212549.db2.gz QLKDAVWHYOYYQJ-UHFFFAOYSA-N 1 0 273.380 2.184 10 0 CEAERO CN[C@@H](c1cnccn1)C1([NH+]2CCCC2)CCCC1 ZINC000091640875 180213000 /nfs/dbraw/zinc/21/30/00/180213000.db2.gz IAIPMKQKSWIXRO-AWEZNQCLSA-N 1 0 260.385 2.146 10 0 CEAERO CCn1ncnc1C[C@@H](O)C1([NH+]2CCCCC2)CCCC1 ZINC000091641546 180213158 /nfs/dbraw/zinc/21/31/58/180213158.db2.gz OADBKZLZRZUPIN-CQSZACIVSA-N 1 0 292.427 2.000 10 0 CEAERO O[C@H]([C@@H]1CCOC1)C1([NH+]2CCCCC2)CCCC1 ZINC000091641537 180213318 /nfs/dbraw/zinc/21/33/18/180213318.db2.gz FGQPYFLDFUHUPC-ZIAGYGMSSA-N 1 0 253.386 2.183 10 0 CEAERO Cn1ccnc1[C@@H](N)C1([NH+]2CCCCC2)CCCC1 ZINC000091641890 180213379 /nfs/dbraw/zinc/21/33/79/180213379.db2.gz BWHQGMRITUVHPI-CYBMUJFWSA-N 1 0 262.401 2.219 10 0 CEAERO COc1cccc([C@@H]([NH3+])C2(N3CCOCC3)CCCC2)c1 ZINC000091642886 180214168 /nfs/dbraw/zinc/21/41/68/180214168.db2.gz GSKCBJMFSFBFPK-MRXNPFEDSA-N 1 0 290.407 2.340 10 0 CEAERO [NH3+][C@H](c1ccccc1F)C1(N2CCOCC2)CCCC1 ZINC000091642968 180214233 /nfs/dbraw/zinc/21/42/33/180214233.db2.gz JTIXGCAZPRSKBS-OAHLLOKOSA-N 1 0 278.371 2.471 10 0 CEAERO CCn1nccc1[C@H](N)C1([NH+](C)C)CCCCC1 ZINC000091647033 180215732 /nfs/dbraw/zinc/21/57/32/180215732.db2.gz IKDLRYBGVRPXIT-ZDUSSCGKSA-N 1 0 250.390 2.167 10 0 CEAERO C[NH2+][C@@H](Cc1ccnc(N)c1)C1(N(C)C)CCCCC1 ZINC000091647407 180215843 /nfs/dbraw/zinc/21/58/43/180215843.db2.gz KDQLXSHJBZSXKR-AWEZNQCLSA-N 1 0 276.428 2.059 10 0 CEAERO CC1CCC([C@@H](N)Cc2ccncc2)([NH+](C)C)CC1 ZINC000091648980 180216233 /nfs/dbraw/zinc/21/62/33/180216233.db2.gz PBSWVDPBTKYACX-SIWZUTFBSA-N 1 0 261.413 2.462 10 0 CEAERO Cc1cc(C[C@H](O)C2([NH+](C)C)CCC(C)CC2)n(C)n1 ZINC000091648503 180216623 /nfs/dbraw/zinc/21/66/23/180216623.db2.gz CHCBMXJAZDKPFF-NRAUKZCXSA-N 1 0 279.428 2.142 10 0 CEAERO C[NH2+][C@@H](c1cnn(C)c1)C1(N(C)C)CCCCCC1 ZINC000091654515 180217056 /nfs/dbraw/zinc/21/70/56/180217056.db2.gz WAAYYKGXIUPXMG-AWEZNQCLSA-N 1 0 264.417 2.335 10 0 CEAERO CCn1cc(C[C@H](N)C2([NH+](C)C)CCCCCC2)cn1 ZINC000091654137 180217239 /nfs/dbraw/zinc/21/72/39/180217239.db2.gz FIJNLIJIYPXNEO-HNNXBMFYSA-N 1 0 278.444 2.427 10 0 CEAERO C[N@@H+]1CCCC[C@H]1CNc1nc(Cl)ncc1F ZINC000091655516 180217672 /nfs/dbraw/zinc/21/76/72/180217672.db2.gz MFQGDETXJXGENX-QMMMGPOBSA-N 1 0 258.728 2.165 10 0 CEAERO CC[N@@H+]1CCC[C@H](Nc2nc(Cl)ncc2C)C1 ZINC000091658471 180218359 /nfs/dbraw/zinc/21/83/59/180218359.db2.gz DOTOYSDSGPMXNO-JTQLQIEISA-N 1 0 254.765 2.335 10 0 CEAERO Cc1cnc(Cl)nc1NC[C@H]1CCC[N@@H+](C)C1 ZINC000091658751 180218742 /nfs/dbraw/zinc/21/87/42/180218742.db2.gz CSDQQIYBCMNMAT-SNVBAGLBSA-N 1 0 254.765 2.192 10 0 CEAERO O=C(CC[NH2+][C@@H]1CCCc2cccnc21)N1CCCC1 ZINC000091660325 180218838 /nfs/dbraw/zinc/21/88/38/180218838.db2.gz GBGDQHPABUYZMZ-CQSZACIVSA-N 1 0 273.380 2.061 10 0 CEAERO CC[C@H](NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccco1 ZINC000091662292 180219498 /nfs/dbraw/zinc/21/94/98/180219498.db2.gz ALZTVOLRKGUFSL-MCIONIFRSA-N 1 0 264.369 2.184 10 0 CEAERO Cc1nc(Cl)c(C)c(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000091677198 180225455 /nfs/dbraw/zinc/22/54/55/180225455.db2.gz VJBGBPGVBVHYRL-NEPJUHHUSA-N 1 0 296.802 2.022 10 0 CEAERO C[NH2+][C@H](c1ccccc1C(F)(F)F)[C@H]1CN(C)CCO1 ZINC000091717729 180232873 /nfs/dbraw/zinc/23/28/73/180232873.db2.gz YMXOENWVMLLFDP-CHWSQXEVSA-N 1 0 288.313 2.297 10 0 CEAERO CC[NH2+][C@H](CCCc1ccccc1)[C@@H]1CN(C)CCO1 ZINC000091718883 180233238 /nfs/dbraw/zinc/23/32/38/180233238.db2.gz STHKKDUQCWEAQN-SJORKVTESA-N 1 0 276.424 2.318 10 0 CEAERO CCC[NH2+][C@H](c1c(F)cccc1F)[C@H]1CN(C)CCO1 ZINC000091719161 180234027 /nfs/dbraw/zinc/23/40/27/180234027.db2.gz DXJINSXNMORVAV-HIFRSBDPSA-N 1 0 284.350 2.336 10 0 CEAERO CCC[NH2+][C@H](c1cccc(C)c1)[C@@H]1CN(C)CCO1 ZINC000091719203 180234251 /nfs/dbraw/zinc/23/42/51/180234251.db2.gz YCTDZZWNFQSUGW-JKSUJKDBSA-N 1 0 262.397 2.366 10 0 CEAERO CCC[NH2+][C@H](Cc1cc(F)ccc1F)CN(C)C ZINC000091720017 180235668 /nfs/dbraw/zinc/23/56/68/180235668.db2.gz SKNADLDETODVFL-CYBMUJFWSA-N 1 0 256.340 2.437 10 0 CEAERO CCC[NH2+][C@H](Cc1ccccc1OC)CN(C)C ZINC000091720133 180235977 /nfs/dbraw/zinc/23/59/77/180235977.db2.gz OPJHHZLFJJFQPR-CQSZACIVSA-N 1 0 250.386 2.168 10 0 CEAERO N[C@H](c1cnc2ccccc2c1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720622 180236578 /nfs/dbraw/zinc/23/65/78/180236578.db2.gz XUOXLWZKRXNQLW-HYVNUMGLSA-N 1 0 283.375 2.098 10 0 CEAERO [NH3+][C@H](Cc1ccc(Cl)s1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091720496 180236765 /nfs/dbraw/zinc/23/67/65/180236765.db2.gz UNERCHWNKACLOX-YUSALJHKSA-N 1 0 286.828 2.135 10 0 CEAERO CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CCOC[C@H]2O)cc1 ZINC000624235877 350239491 /nfs/dbraw/zinc/23/94/91/350239491.db2.gz RFCIZFXUWXNIOA-VBNZEHGJSA-N 1 0 279.380 2.274 10 0 CEAERO CCCOc1ccc([C@H](C)[NH2+][C@H]2CCOC[C@@H]2O)cc1 ZINC000624236154 350239719 /nfs/dbraw/zinc/23/97/19/350239719.db2.gz XGXFRVPLUDJBEU-RCBQFDQVSA-N 1 0 279.380 2.276 10 0 CEAERO C[NH2+][C@H](CCc1ccccc1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721467 180238951 /nfs/dbraw/zinc/23/89/51/180238951.db2.gz YVOIXEWYALPBLX-BRWVUGGUSA-N 1 0 274.408 2.070 10 0 CEAERO CCc1ccc(C(=O)N(CCC[NH3+])CC(C)C)o1 ZINC000091759298 180247437 /nfs/dbraw/zinc/24/74/37/180247437.db2.gz MPXZKLOFJLLKPM-UHFFFAOYSA-N 1 0 252.358 2.289 10 0 CEAERO CCc1ccc(C(=O)N(C)[C@@H]2CCC[C@@H]2C[NH3+])o1 ZINC000091762939 180248301 /nfs/dbraw/zinc/24/83/01/180248301.db2.gz KXJQQABFVOJGCG-ZYHUDNBSSA-N 1 0 250.342 2.041 10 0 CEAERO CCc1ccc(C(=O)N(CC)[C@@H]2CCC[C@H]2C[NH3+])o1 ZINC000091762956 180248470 /nfs/dbraw/zinc/24/84/70/180248470.db2.gz RQNQOWZJOBMCGV-WCQYABFASA-N 1 0 264.369 2.432 10 0 CEAERO CC1(C)OCC[C@H]1[NH2+]C[C@@H]1CCCO[C@H]1c1cn[nH]c1 ZINC000624242982 350242412 /nfs/dbraw/zinc/24/24/12/350242412.db2.gz ANCHQNGJFFXISW-IACUBPJLSA-N 1 0 279.384 2.035 10 0 CEAERO CC[C@@H]1CN([C@@H](C)c2ccc(C(=O)OC)o2)CC[N@@H+]1C ZINC000091782577 180254655 /nfs/dbraw/zinc/25/46/55/180254655.db2.gz VFCGGQMSIVZAKV-NWDGAFQWSA-N 1 0 280.368 2.153 10 0 CEAERO Cc1ccc(C)n1NC(=O)[C@@H](C)CCC[C@H](C)[NH3+] ZINC000091787728 180256711 /nfs/dbraw/zinc/25/67/11/180256711.db2.gz SZCLJNKXURDLLY-QWRGUYRKSA-N 1 0 251.374 2.329 10 0 CEAERO Cc1ccc(C)n1NC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000091795690 180258032 /nfs/dbraw/zinc/25/80/32/180258032.db2.gz KMJDVPQTOBYEOP-HNNXBMFYSA-N 1 0 269.348 2.062 10 0 CEAERO COC(=O)COc1c(C)cc(C[NH2+][C@@H]2C[C@H]2C)cc1C ZINC000105437220 186057046 /nfs/dbraw/zinc/05/70/46/186057046.db2.gz DYAMOFZFTSJLDU-QMTHXVAHSA-N 1 0 277.364 2.353 10 0 CEAERO CC[NH2+][C@H](C)c1cccn1CC(=O)NC(C)(C)CC ZINC000091801974 180258895 /nfs/dbraw/zinc/25/88/95/180258895.db2.gz UYXAOIOPRQNBSN-GFCCVEGCSA-N 1 0 265.401 2.463 10 0 CEAERO CC[NH2+][C@@H](C)c1cccn1CC(=O)NC(C)(C)CC ZINC000091801975 180259087 /nfs/dbraw/zinc/25/90/87/180259087.db2.gz UYXAOIOPRQNBSN-LBPRGKRZSA-N 1 0 265.401 2.463 10 0 CEAERO CCCCNC(=O)Cn1cccc1[C@@H](C)[NH2+]CC ZINC000091801748 180259330 /nfs/dbraw/zinc/25/93/30/180259330.db2.gz KKSKBTONUYZIQE-GFCCVEGCSA-N 1 0 251.374 2.075 10 0 CEAERO CCN(C(=O)c1csc(C)n1)C1CCC([NH3+])CC1 ZINC000091850364 180272547 /nfs/dbraw/zinc/27/25/47/180272547.db2.gz KTYJBKMXYKDYJC-UHFFFAOYSA-N 1 0 267.398 2.184 10 0 CEAERO CCN(C(=O)c1n[nH]c2ccccc21)C1CCC([NH3+])CC1 ZINC000091850185 180272558 /nfs/dbraw/zinc/27/25/58/180272558.db2.gz QYLVFRRAYHIWQB-UHFFFAOYSA-N 1 0 286.379 2.295 10 0 CEAERO CCn1nc(C)cc1C[N@H+](C)C1CCC2(CC1)OCCO2 ZINC000091853524 180273411 /nfs/dbraw/zinc/27/34/11/180273411.db2.gz JLFVHHIOOJDZCY-UHFFFAOYSA-N 1 0 293.411 2.329 10 0 CEAERO COc1cccc(C[N@H+](C)C2CCC3(CC2)OCCO3)n1 ZINC000091853617 180273848 /nfs/dbraw/zinc/27/38/48/180273848.db2.gz SOZZTDKTXFEXLN-UHFFFAOYSA-N 1 0 292.379 2.208 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)CCC(F)(F)F)CC1 ZINC000091854420 180274292 /nfs/dbraw/zinc/27/42/92/180274292.db2.gz KJDDGSUGNUDNAK-UHFFFAOYSA-N 1 0 266.307 2.318 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)c2cccc(OC)c2O)CC1 ZINC000091854532 180274466 /nfs/dbraw/zinc/27/44/66/180274466.db2.gz XJGKHFOOWIIMLK-UHFFFAOYSA-N 1 0 292.379 2.003 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)c2cc(C)oc2C)CC1 ZINC000091854533 180274784 /nfs/dbraw/zinc/27/47/84/180274784.db2.gz LLCWUNMCADNWLR-UHFFFAOYSA-N 1 0 264.369 2.499 10 0 CEAERO CC[NH2+][C@@H](C)c1ccn(CC(=O)N(CC)CC)c1 ZINC000091804865 180259823 /nfs/dbraw/zinc/25/98/23/180259823.db2.gz FCHNOICQUYHEKM-LBPRGKRZSA-N 1 0 251.374 2.027 10 0 CEAERO CC[NH2+][C@H](C)c1ccn(CC(=O)N[C@H](C)CC)c1 ZINC000091804910 180260227 /nfs/dbraw/zinc/26/02/27/180260227.db2.gz ITQTTYGNMRXPLN-VXGBXAGGSA-N 1 0 251.374 2.073 10 0 CEAERO CC[C@@H]([NH3+])c1ccn(CC(=O)N[C@H](C)C(C)C)c1 ZINC000091816264 180261522 /nfs/dbraw/zinc/26/15/22/180261522.db2.gz UJCFJSWGRGIUNY-DGCLKSJQSA-N 1 0 251.374 2.059 10 0 CEAERO CCC(CC)NC(=O)Cn1ccc([C@H]([NH3+])CC)c1 ZINC000091816459 180262220 /nfs/dbraw/zinc/26/22/20/180262220.db2.gz UYNFHVQOOVMZKV-CYBMUJFWSA-N 1 0 251.374 2.203 10 0 CEAERO CC[NH2+][C@H](CC)c1ccn(CC(=O)N(C)C(C)C)c1 ZINC000091817276 180263387 /nfs/dbraw/zinc/26/33/87/180263387.db2.gz SKPFDAXQGHABRX-CQSZACIVSA-N 1 0 265.401 2.416 10 0 CEAERO CCC[C@H]([NH2+]CC)c1ccn(C[C@@H](C)C(N)=O)c1 ZINC000091822661 180264148 /nfs/dbraw/zinc/26/41/48/180264148.db2.gz JSJIWUDFPFCNMO-YPMHNXCESA-N 1 0 251.374 2.060 10 0 CEAERO CCN(CC)C(=O)N(CCC[NH3+])c1ccccc1OC ZINC000091961441 180293056 /nfs/dbraw/zinc/29/30/56/180293056.db2.gz MLGQTDOAIXJZJM-UHFFFAOYSA-N 1 0 279.384 2.312 10 0 CEAERO CCN(CC)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000091962080 180293251 /nfs/dbraw/zinc/29/32/51/180293251.db2.gz ZNGKSOAGLKPKKE-STQMWFEESA-N 1 0 253.390 2.055 10 0 CEAERO CCN(C(=O)N1CCCCC1)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000091969550 180294505 /nfs/dbraw/zinc/29/45/05/180294505.db2.gz SPNLCJPZVVNOEL-KGLIPLIRSA-N 1 0 267.417 2.432 10 0 CEAERO CCC[NH2+]C1CCC(N(C)C(=O)CCOCC)CC1 ZINC000091869747 180276995 /nfs/dbraw/zinc/27/69/95/180276995.db2.gz DGPZBVVAYORGIB-UHFFFAOYSA-N 1 0 270.417 2.182 10 0 CEAERO C[NH2+]C1CCC(Nc2cc(OC(C)C)ncn2)CC1 ZINC000091873568 180279116 /nfs/dbraw/zinc/27/91/16/180279116.db2.gz UGCHIEVFRPSDQS-UHFFFAOYSA-N 1 0 264.373 2.206 10 0 CEAERO CCOc1cc([C@H](O)CC[NH3+])ccc1OC(F)F ZINC000091909061 180284852 /nfs/dbraw/zinc/28/48/52/180284852.db2.gz WOYXDYKTBGLPJN-SECBINFHSA-N 1 0 261.268 2.069 10 0 CEAERO [NH3+]C[C@@]1([C@H](O)c2cccnc2)CCCc2ccccc21 ZINC000091910121 180285189 /nfs/dbraw/zinc/28/51/89/180285189.db2.gz XQRDAWVSKWXMJE-SJORKVTESA-N 1 0 268.360 2.348 10 0 CEAERO CCC[C@H](C)[C@H](O)[C@@]1(C[NH3+])COc2ccccc2C1 ZINC000091917830 180285693 /nfs/dbraw/zinc/28/56/93/180285693.db2.gz DCTOATXTIJYZQS-RCBQFDQVSA-N 1 0 263.381 2.364 10 0 CEAERO [NH3+]C[C@]1([C@H](O)Cc2ccccc2)CCc2ccccc21 ZINC000091914003 180286112 /nfs/dbraw/zinc/28/61/12/180286112.db2.gz LJXCZTYXKIRPTR-QZTJIDSGSA-N 1 0 267.372 2.433 10 0 CEAERO [NH3+]CCOc1ccccc1NC(=O)N1CCCCCC1 ZINC000091971031 180295080 /nfs/dbraw/zinc/29/50/80/180295080.db2.gz UEFDUBUNFZUFCM-UHFFFAOYSA-N 1 0 277.368 2.432 10 0 CEAERO Brc1cn2c(C[NH2+]CC3CCC3)cnc2cn1 ZINC000092049210 180311939 /nfs/dbraw/zinc/31/19/39/180311939.db2.gz LLHHTFACAQIULZ-UHFFFAOYSA-N 1 0 295.184 2.382 10 0 CEAERO CC[C@@H]([NH2+]C)c1ccc(OC[C@@H]2CN(CC)CCO2)cc1 ZINC000092051168 180313005 /nfs/dbraw/zinc/31/30/05/180313005.db2.gz YVJHKSJFJCBEIL-DLBZAZTESA-N 1 0 292.423 2.457 10 0 CEAERO CC[C@H]([NH3+])Cc1ccc(OC[C@H]2CN(CC)CCO2)cc1 ZINC000092060619 180314910 /nfs/dbraw/zinc/31/49/10/180314910.db2.gz KLDMKASWMCFKLX-DOTOQJQBSA-N 1 0 292.423 2.066 10 0 CEAERO CCN(C(=O)N1CCCCC1)C1CCC([NH3+])CC1 ZINC000091969579 180295201 /nfs/dbraw/zinc/29/52/01/180295201.db2.gz QYFUDEOUDBIMPU-UHFFFAOYSA-N 1 0 253.390 2.184 10 0 CEAERO C[C@H]([NH3+])[C@H]1CCCN(C(=O)N2CCCCCC2)C1 ZINC000091971656 180295736 /nfs/dbraw/zinc/29/57/36/180295736.db2.gz ARZTZPJEHCJKNN-STQMWFEESA-N 1 0 253.390 2.042 10 0 CEAERO CC1CCN(C(=O)NC2(C[NH3+])CCC(C)CC2)CC1 ZINC000091972818 180296059 /nfs/dbraw/zinc/29/60/59/180296059.db2.gz HDVWNCKSHXRCIY-UHFFFAOYSA-N 1 0 267.417 2.336 10 0 CEAERO CCN(C(=O)N1CCC(C)CC1)[C@](C)(CC)C[NH3+] ZINC000091972934 180296190 /nfs/dbraw/zinc/29/61/90/180296190.db2.gz GUPCHRUZYVDEBM-CQSZACIVSA-N 1 0 255.406 2.288 10 0 CEAERO CCC(CC)N(CC[NH3+])C(=O)N1CCC[C@H](C)C1 ZINC000091993176 180300517 /nfs/dbraw/zinc/30/05/17/180300517.db2.gz CHYXXHNHCZQUAB-LBPRGKRZSA-N 1 0 255.406 2.288 10 0 CEAERO CC1CCN(C(=O)N(C)Cc2cccc(C(N)=[NH2+])c2)CC1 ZINC000091993243 180300518 /nfs/dbraw/zinc/30/05/18/180300518.db2.gz SQRWWWAWMYVSLY-UHFFFAOYSA-N 1 0 288.395 2.254 10 0 CEAERO CC1CCN(C(=O)NCc2ccc(C(N)=[NH2+])cc2F)CC1 ZINC000091993327 180300631 /nfs/dbraw/zinc/30/06/31/180300631.db2.gz BQQFYPFWHGJNLK-UHFFFAOYSA-N 1 0 292.358 2.051 10 0 CEAERO C[NH2+]Cc1nc(C)ccc1OC[C@H]1Cc2ccccc2O1 ZINC000091994528 180300866 /nfs/dbraw/zinc/30/08/66/180300866.db2.gz FYRPMNYMDKVCHG-CQSZACIVSA-N 1 0 284.359 2.492 10 0 CEAERO C[NH2+]Cc1nc(C)ccc1OCc1c(C)noc1C ZINC000091994579 180301511 /nfs/dbraw/zinc/30/15/11/180301511.db2.gz UBAMLPBNSXDSJF-UHFFFAOYSA-N 1 0 261.325 2.293 10 0 CEAERO CC[NH2+]Cc1nc(C)ccc1O[C@@H](C)C(=O)N[C@H](C)CC ZINC000091994793 180301564 /nfs/dbraw/zinc/30/15/64/180301564.db2.gz XYTQGEBCMVXICO-YPMHNXCESA-N 1 0 293.411 2.182 10 0 CEAERO CC[C@@H](O)COc1ccc(C)nc1C[NH2+]CC(C)C ZINC000091996386 180301763 /nfs/dbraw/zinc/30/17/63/180301763.db2.gz JWYIKDMPGYTPJO-CYBMUJFWSA-N 1 0 266.385 2.285 10 0 CEAERO COCCOCCOc1ccc(C)nc1C[NH2+]CC(C)C ZINC000091996361 180301880 /nfs/dbraw/zinc/30/18/80/180301880.db2.gz MPTLSJMPSWMRRM-UHFFFAOYSA-N 1 0 296.411 2.177 10 0 CEAERO COCCOCCOc1ccc(C)nc1C[NH2+]C(C)(C)C ZINC000091996074 180302288 /nfs/dbraw/zinc/30/22/88/180302288.db2.gz ZWOSAMLRCGWVHM-UHFFFAOYSA-N 1 0 296.411 2.320 10 0 CEAERO C[C@@H](O)c1ccccc1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092001994 180304686 /nfs/dbraw/zinc/30/46/86/180304686.db2.gz NMURNOQGMKOFMH-MCIONIFRSA-N 1 0 260.381 2.413 10 0 CEAERO C[C@H]([NH3+])c1cccc(-n2nnc(-c3ccccc3)n2)c1 ZINC000092024012 180308806 /nfs/dbraw/zinc/30/88/06/180308806.db2.gz DFUXILPIZMEPFU-NSHDSACASA-N 1 0 265.320 2.349 10 0 CEAERO CC[NH2+][C@@H](C=C(C)C)[C@](C)(CC)N1CCOCC1 ZINC000092128193 180329472 /nfs/dbraw/zinc/32/94/72/180329472.db2.gz BJTWREICYXULOT-GJZGRUSLSA-N 1 0 254.418 2.432 10 0 CEAERO CC[NH2+][C@@H](Cc1ccn(C(C)C)n1)C(C)(C)OC ZINC000092139703 180333704 /nfs/dbraw/zinc/33/37/04/180333704.db2.gz ZBRKUPQYDFEAKC-ZDUSSCGKSA-N 1 0 253.390 2.410 10 0 CEAERO CCC[NH2+][C@H](c1c(C)ccnc1N)C(C)(C)OC ZINC000092140002 180333715 /nfs/dbraw/zinc/33/37/15/180333715.db2.gz YNUKOAXMEUSFEV-GFCCVEGCSA-N 1 0 251.374 2.438 10 0 CEAERO C[NH2+]CCCc1c(C)nc(C(C)(C)OC)nc1C ZINC000092140980 180333785 /nfs/dbraw/zinc/33/37/85/180333785.db2.gz AMLUPOLBKFLRMJ-UHFFFAOYSA-N 1 0 251.374 2.127 10 0 CEAERO C[NH2+][C@@H](c1ccc(OC)cc1OC)C(C)(C)OC ZINC000092138828 180333789 /nfs/dbraw/zinc/33/37/89/180333789.db2.gz HSZRVZZCHLJVNV-ZDUSSCGKSA-N 1 0 253.342 2.389 10 0 CEAERO COCC[NH2+]C[C@H](C)c1c(C)nc(C(C)(C)OC)nc1C ZINC000092141084 180333840 /nfs/dbraw/zinc/33/38/40/180333840.db2.gz ZUHZAMPYDBUQAB-NSHDSACASA-N 1 0 295.427 2.314 10 0 CEAERO Cc1cc(N)ccc1NC(=O)C[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000092080680 180318886 /nfs/dbraw/zinc/31/88/86/180318886.db2.gz ZNRAWKCGIUCDKB-RYUDHWBXSA-N 1 0 261.369 2.104 10 0 CEAERO C[C@@H]1C[NH+](Cc2cc(N)cc3c2OCOC3)C[C@H]1C ZINC000092081191 180319797 /nfs/dbraw/zinc/31/97/97/180319797.db2.gz ACWBHPBSDPSZPQ-GHMZBOCLSA-N 1 0 262.353 2.223 10 0 CEAERO CCC[NH2+]Cc1c(C)nn(C)c1N1C[C@H](C)[C@@H](C)C1 ZINC000092086765 180320371 /nfs/dbraw/zinc/32/03/71/180320371.db2.gz UIPXEYFCWDNXIN-RYUDHWBXSA-N 1 0 264.417 2.320 10 0 CEAERO CCCN[C@@](C)(CC[N@@H+]1C[C@H](C)[C@H](C)C1)C(=O)OCC ZINC000092087690 180320975 /nfs/dbraw/zinc/32/09/75/180320975.db2.gz YCTHIJHDOFBWQO-LZWOXQAQSA-N 1 0 284.444 2.286 10 0 CEAERO C[C@@H]1CN(c2ncc(C[NH2+]C3CC3)s2)C[C@H]1C ZINC000092089673 180321157 /nfs/dbraw/zinc/32/11/57/180321157.db2.gz MSENHKCNDFNZQO-NXEZZACHSA-N 1 0 251.399 2.487 10 0 CEAERO CCC[NH2+][C@H](CN1C(=O)[C@H](C)[C@H](C)C1=O)c1ccccc1 ZINC000092094013 180322778 /nfs/dbraw/zinc/32/27/78/180322778.db2.gz ABUUGRJCLLRALI-VNHYZAJKSA-N 1 0 288.391 2.368 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2ccc(F)cc2Br)C1 ZINC000092201799 180342799 /nfs/dbraw/zinc/34/27/99/180342799.db2.gz HLJIDRTXMCOKLR-VXNVDRBHSA-N 1 0 299.143 2.430 10 0 CEAERO COc1cc(Cl)c(C)cc1NC(=O)[C@@H]1C=C[C@H]([NH3+])C1 ZINC000092201186 180342825 /nfs/dbraw/zinc/34/28/25/180342825.db2.gz UBCGKLADLURUBV-ZJUUUORDSA-N 1 0 280.755 2.499 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2ccc(Br)cc2F)C1 ZINC000092201299 180342839 /nfs/dbraw/zinc/34/28/39/180342839.db2.gz ZWMJUAJGZBSODF-VXNVDRBHSA-N 1 0 299.143 2.430 10 0 CEAERO Cc1cc(NC(=O)[C@H]2C=C[C@H]([NH3+])C2)c2ccccc2n1 ZINC000092201258 180342927 /nfs/dbraw/zinc/34/29/27/180342927.db2.gz KWQKAARRAGCBHV-RYUDHWBXSA-N 1 0 267.332 2.385 10 0 CEAERO COc1c(C)ccc(NC(=O)[C@H]2C=C[C@H]([NH3+])C2)c1C ZINC000092202280 180343030 /nfs/dbraw/zinc/34/30/30/180343030.db2.gz CYLDRPNEMUXILD-RYUDHWBXSA-N 1 0 260.337 2.154 10 0 CEAERO CC(C)Oc1ccccc1NC(=O)[C@@H]1C=C[C@H]([NH3+])C1 ZINC000092202285 180343052 /nfs/dbraw/zinc/34/30/52/180343052.db2.gz AZHFZXLDJJKSCF-NEPJUHHUSA-N 1 0 260.337 2.316 10 0 CEAERO CC(C)[C@H](NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1)c1ccccc1 ZINC000092202761 180343384 /nfs/dbraw/zinc/34/33/84/180343384.db2.gz LYDLFXQTGBBHFL-KFWWJZLASA-N 1 0 258.365 2.403 10 0 CEAERO CCC(=O)Nc1cccc(NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)c1C ZINC000092203806 180343721 /nfs/dbraw/zinc/34/37/21/180343721.db2.gz MXBKLFVPPNEJKP-VXGBXAGGSA-N 1 0 287.363 2.185 10 0 CEAERO C[C@@H]1C[NH2+]C(C)(C)CN1C[C@@H]1COc2ccccc21 ZINC000092307315 180360092 /nfs/dbraw/zinc/36/00/92/180360092.db2.gz UPFTVGFKQMQMDZ-CHWSQXEVSA-N 1 0 260.381 2.235 10 0 CEAERO CN(Cc1ccccc1Cl)C(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092204401 180343798 /nfs/dbraw/zinc/34/37/98/180343798.db2.gz JTPJZQGTUKDEPB-CMPLNLGQSA-N 1 0 264.756 2.202 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)Nc2cccc(-n3cccc3)c2)C1 ZINC000092203836 180343889 /nfs/dbraw/zinc/34/38/89/180343889.db2.gz QJJLHMPUQHDMOL-OLZOCXBDSA-N 1 0 267.332 2.319 10 0 CEAERO C[NH2+]Cc1c(C)nn(C[C@@H]2COc3ccccc32)c1C ZINC000092304770 180360111 /nfs/dbraw/zinc/36/01/11/180360111.db2.gz BBAXIIFJRIZDDE-CYBMUJFWSA-N 1 0 271.364 2.396 10 0 CEAERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1cc(F)ccc1F ZINC000105872262 186080374 /nfs/dbraw/zinc/08/03/74/186080374.db2.gz MJCLLJOZSQSEKZ-KOLCDFICSA-N 1 0 278.306 2.222 10 0 CEAERO CCN(C(=O)[C@@H]1C=C[C@@H]([NH3+])C1)[C@@H](C)c1cccc(O)c1 ZINC000092205716 180344204 /nfs/dbraw/zinc/34/42/04/180344204.db2.gz PQUGTIPZLPJQDS-IACUBPJLSA-N 1 0 274.364 2.205 10 0 CEAERO Cc1ccc2cccc(NC(=O)[C@H]3C=C[C@H]([NH3+])C3)c2n1 ZINC000092207455 180344233 /nfs/dbraw/zinc/34/42/33/180344233.db2.gz IQLCQANDQJCACI-STQMWFEESA-N 1 0 267.332 2.385 10 0 CEAERO CC(C)[C@@H]1C[NH2+]CCN1C[C@@H]1COc2ccccc21 ZINC000092307255 180360244 /nfs/dbraw/zinc/36/02/44/180360244.db2.gz CHOYRDMJXYJDPM-HIFRSBDPSA-N 1 0 260.381 2.092 10 0 CEAERO C[C@@H]([NH2+]CC1(O)CCSCC1)c1ccc2c(c1)OCO2 ZINC000151630086 539797796 /nfs/dbraw/zinc/79/77/96/539797796.db2.gz UZUNDTQSVYLBBG-LLVKDONJSA-N 1 0 295.404 2.324 10 0 CEAERO CSc1ccc(C(=O)N2C[C@@H]3C[NH2+]C[C@H]3C2(C)C)cc1 ZINC000092232593 180348957 /nfs/dbraw/zinc/34/89/57/180348957.db2.gz WRAHHZCNCALWNM-GXTWGEPZSA-N 1 0 290.432 2.479 10 0 CEAERO CSc1ccc(C(=O)N2C[C@@H]3C[NH2+]C[C@@H]3C2(C)C)cc1 ZINC000092232594 180348994 /nfs/dbraw/zinc/34/89/94/180348994.db2.gz WRAHHZCNCALWNM-JSGCOSHPSA-N 1 0 290.432 2.479 10 0 CEAERO C[NH2+]C1CCC(NC(=O)[C@H]2Cc3ccccc3S2)CC1 ZINC000092232620 180349107 /nfs/dbraw/zinc/34/91/07/180349107.db2.gz RHITVLMFKMOILW-SSDMNJCBSA-N 1 0 290.432 2.350 10 0 CEAERO CC[NH2+]CCc1nnc([C@@H]2CSc3ccccc32)o1 ZINC000092240372 180351610 /nfs/dbraw/zinc/35/16/10/180351610.db2.gz OXQRUAKPDWRGMK-LLVKDONJSA-N 1 0 275.377 2.459 10 0 CEAERO CCCNC(=O)CC[NH2+]C[C@H]1Cc2ccccc2S1 ZINC000092243716 180351615 /nfs/dbraw/zinc/35/16/15/180351615.db2.gz IVWYEZSPLHKJAV-CYBMUJFWSA-N 1 0 278.421 2.209 10 0 CEAERO OCC1CC[NH+](C[C@@H]2Cc3ccccc3S2)CC1 ZINC000092270244 180355998 /nfs/dbraw/zinc/35/59/98/180355998.db2.gz NSUPSXUKMCIECH-AWEZNQCLSA-N 1 0 263.406 2.408 10 0 CEAERO CCN(C)CC[NH2+]C[C@H]1CSc2ccccc21 ZINC000092275453 180356803 /nfs/dbraw/zinc/35/68/03/180356803.db2.gz VABRHHCJAIGDCA-LBPRGKRZSA-N 1 0 250.411 2.417 10 0 CEAERO Cn1c(C[NH3+])nnc1SC[C@@H]1CSc2ccccc21 ZINC000092288373 180357738 /nfs/dbraw/zinc/35/77/38/180357738.db2.gz JFWFVYMPACENEM-VIFPVBQESA-N 1 0 292.433 2.255 10 0 CEAERO OC1(C2CC2)C[NH+](C[C@H]2CSc3ccccc32)C1 ZINC000092292790 180358048 /nfs/dbraw/zinc/35/80/48/180358048.db2.gz BRBILXRUONMCAI-NSHDSACASA-N 1 0 261.390 2.333 10 0 CEAERO c1ccc2c(c1)OC[C@H]2CN1CCC[C@@H]1C[NH2+]C1CC1 ZINC000092302629 180359680 /nfs/dbraw/zinc/35/96/80/180359680.db2.gz HMVXIUNQMACHGO-UKRRQHHQSA-N 1 0 272.392 2.379 10 0 CEAERO COc1ccc(-c2noc([C@H]3C=C[C@@H]([NH3+])C3)n2)cc1 ZINC000092181389 180338301 /nfs/dbraw/zinc/33/83/01/180338301.db2.gz GZQCEACWYJNICQ-WDEREUQCSA-N 1 0 257.293 2.116 10 0 CEAERO COc1cccc(-c2noc([C@H]3C=C[C@H]([NH3+])C3)n2)c1 ZINC000092181415 180338508 /nfs/dbraw/zinc/33/85/08/180338508.db2.gz CIZXOBGUORSMNU-QWRGUYRKSA-N 1 0 257.293 2.116 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](c2nc(-c3cc(F)cc(F)c3)no2)C1 ZINC000092181589 180338966 /nfs/dbraw/zinc/33/89/66/180338966.db2.gz UDUUSSIYKZSTTJ-WRWORJQWSA-N 1 0 263.247 2.386 10 0 CEAERO CC(C)(C)SCc1noc([C@@H]2C=C[C@@H]([NH3+])C2)n1 ZINC000092181985 180338991 /nfs/dbraw/zinc/33/89/91/180338991.db2.gz JJCCFFCXYYFZEU-RKDXNWHRSA-N 1 0 253.371 2.472 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](c2nc([C@@H]3CCOc4ccccc43)no2)C1 ZINC000092182126 180339103 /nfs/dbraw/zinc/33/91/03/180339103.db2.gz GULHAKPRCAMTSO-NQBHXWOUSA-N 1 0 283.331 2.355 10 0 CEAERO c1ccc2c(c1)OC[C@H]2CN1CC[NH2+]C2(CCCC2)C1 ZINC000092307235 180360711 /nfs/dbraw/zinc/36/07/11/180360711.db2.gz FPSCWSYOXUOHDG-CQSZACIVSA-N 1 0 272.392 2.381 10 0 CEAERO COCCCCC[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105909955 186090036 /nfs/dbraw/zinc/09/00/36/186090036.db2.gz VOTBSLHWUCXJDL-UHFFFAOYSA-N 1 0 278.400 2.170 10 0 CEAERO C[NH2+]C[C@H](C)Cc1c(C)nn(-c2ccccn2)c1C ZINC000092320684 180361780 /nfs/dbraw/zinc/36/17/80/180361780.db2.gz ZMEDBJPTQGYZNR-LLVKDONJSA-N 1 0 258.369 2.282 10 0 CEAERO Cc1nn(-c2ncccn2)c(C)c1[C@@H](C)C[NH2+]C1CC1 ZINC000092321489 180362465 /nfs/dbraw/zinc/36/24/65/180362465.db2.gz JOQSHRSWTBCWRJ-JTQLQIEISA-N 1 0 271.368 2.135 10 0 CEAERO Cc1nn(C)c(C)c1CNC(=O)CC[C@H](CC[NH3+])C(C)C ZINC000092327614 180363265 /nfs/dbraw/zinc/36/32/65/180363265.db2.gz ABTZYHPASYIPDK-CQSZACIVSA-N 1 0 294.443 2.054 10 0 CEAERO Cc1noc(C)c1[C@@H](C)NC(=O)CCC[NH2+]C(C)C ZINC000092329964 180363573 /nfs/dbraw/zinc/36/35/73/180363573.db2.gz MVPUDINGDIIXQF-SNVBAGLBSA-N 1 0 267.373 2.247 10 0 CEAERO Cc1noc(C)c1CN[C@@H](C)[C@H]1CCC[N@H+](C)C1 ZINC000092329168 180364059 /nfs/dbraw/zinc/36/40/59/180364059.db2.gz HSUJNHRUUBKXNO-GWCFXTLKSA-N 1 0 251.374 2.111 10 0 CEAERO Cc1noc(C)c1[C@H](C)N1CC[NH2+][C@H](C(C)C)C1 ZINC000092342458 180365907 /nfs/dbraw/zinc/36/59/07/180365907.db2.gz XACJEWDGTHSTTB-AAEUAGOBSA-N 1 0 251.374 2.282 10 0 CEAERO [NH3+]CC1(OCc2ccnc3ccccc23)CCOCC1 ZINC000092347217 180366593 /nfs/dbraw/zinc/36/65/93/180366593.db2.gz GRBVDMOLTBYZTI-UHFFFAOYSA-N 1 0 272.348 2.259 10 0 CEAERO Cc1cc(C[NH2+]CCCc2nnc[nH]2)c2ccccc2n1 ZINC000092345789 180366755 /nfs/dbraw/zinc/36/67/55/180366755.db2.gz UCPVXUPXMVDKFW-UHFFFAOYSA-N 1 0 281.363 2.384 10 0 CEAERO CC[C@@H]1CN(Cc2ccnc3ccccc23)CC[NH2+]1 ZINC000092365526 180368886 /nfs/dbraw/zinc/36/88/86/180368886.db2.gz TXTYCQRCBSOZOP-CQSZACIVSA-N 1 0 255.365 2.419 10 0 CEAERO C[C@H]1CN(Cc2ccnc3ccccc23)CCC[NH2+]1 ZINC000092365801 180368930 /nfs/dbraw/zinc/36/89/30/180368930.db2.gz GIGGCBJQJMDXIP-ZDUSSCGKSA-N 1 0 255.365 2.419 10 0 CEAERO CN(Cc1ccc(F)cc1)Cc1cccc(NN)[nH+]1 ZINC000092369815 180369772 /nfs/dbraw/zinc/36/97/72/180369772.db2.gz APXKEBYQMBXTFB-UHFFFAOYSA-N 1 0 260.316 2.138 10 0 CEAERO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CC(C)(C)O)C1 ZINC000106385219 186111308 /nfs/dbraw/zinc/11/13/08/186111308.db2.gz GXAZONNPVXFRAK-LBPRGKRZSA-N 1 0 286.416 2.089 10 0 CEAERO CCNc1cccc(C[N@H+](CCCO)C(C)C)n1 ZINC000092370044 180370154 /nfs/dbraw/zinc/37/01/54/180370154.db2.gz YGVXNJHTPIFGIM-UHFFFAOYSA-N 1 0 251.374 2.106 10 0 CEAERO CN(Cc1ccco1)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106426362 186116119 /nfs/dbraw/zinc/11/61/19/186116119.db2.gz BFSOGXXQJDCUAH-MRXNPFEDSA-N 1 0 286.375 2.411 10 0 CEAERO COc1ccc2c(c1)[C@@H]([NH2+]CC(OC)OC)CCC2 ZINC000092383683 180372877 /nfs/dbraw/zinc/37/28/77/180372877.db2.gz YPMVUPKJLVRNQK-AWEZNQCLSA-N 1 0 265.353 2.281 10 0 CEAERO NNc1[nH+]c(-c2ccc(O)cc2)nc2c1CCCC2 ZINC000106865764 186144757 /nfs/dbraw/zinc/14/47/57/186144757.db2.gz WYNKOXQLGWEQDI-UHFFFAOYSA-N 1 0 256.309 2.014 10 0 CEAERO CCn1c(C)[nH+]c(-c2c(OC)cc(OC)cc2OC)c1N ZINC000106831091 186137660 /nfs/dbraw/zinc/13/76/60/186137660.db2.gz UHKMTRPEWPXHSL-UHFFFAOYSA-N 1 0 291.351 2.486 10 0 CEAERO CC[NH2+][C@@H]1c2cc(OC)ccc2CC[C@@H]1n1cncn1 ZINC000092386011 180373586 /nfs/dbraw/zinc/37/35/86/180373586.db2.gz HBDKNCLRJNAEAU-LSDHHAIUSA-N 1 0 272.352 2.125 10 0 CEAERO COC[C@H](C)O[C@H]1CCc2ccc(OC)cc2[C@@H]1[NH3+] ZINC000092386848 180373650 /nfs/dbraw/zinc/37/36/50/180373650.db2.gz BZAGYTPUZCCUJG-LKTVYLICSA-N 1 0 265.353 2.061 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@H](N1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000092385167 180373826 /nfs/dbraw/zinc/37/38/26/180373826.db2.gz MOYDJUFDORPPDQ-AWBCAMRRSA-N 1 0 290.407 2.119 10 0 CEAERO C[NH2+][C@@H]1c2cc(OC)ccc2CC[C@@H]1OC[C@@H]1CCCO1 ZINC000092386456 180373900 /nfs/dbraw/zinc/37/39/00/180373900.db2.gz ZVQRIRDYEWZEIX-BHYGNILZSA-N 1 0 291.391 2.466 10 0 CEAERO COc1ccc2c(c1)[C@](CN)([NH+]1CCCC1)CCC2 ZINC000092384535 180374006 /nfs/dbraw/zinc/37/40/06/180374006.db2.gz RSBSRIXDRFCESQ-INIZCTEOSA-N 1 0 260.381 2.281 10 0 CEAERO CC[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1=O)C1CCCCC1 ZINC000107290503 186166827 /nfs/dbraw/zinc/16/68/27/186166827.db2.gz MGUQDKBUWAZNHZ-ZIAGYGMSSA-N 1 0 278.396 2.225 10 0 CEAERO COc1ccc(C(C)C)cc1NC(=O)CCC[NH3+] ZINC000107294662 186168426 /nfs/dbraw/zinc/16/84/26/186168426.db2.gz KRZGVVDHAATWIE-UHFFFAOYSA-N 1 0 250.342 2.496 10 0 CEAERO Cc1cccc(Cn2cc(CC[NH3+])c3cccnc32)n1 ZINC000092432593 180384348 /nfs/dbraw/zinc/38/43/48/180384348.db2.gz CVTPDPVXGNIHNB-UHFFFAOYSA-N 1 0 266.348 2.289 10 0 CEAERO C[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CCS1 ZINC000106917639 186150933 /nfs/dbraw/zinc/15/09/33/186150933.db2.gz AOLIUCPBEHOPQS-HIFRSBDPSA-N 1 0 292.448 2.123 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC000107064347 186157266 /nfs/dbraw/zinc/15/72/66/186157266.db2.gz WJSMABOEOXFLIH-CQSZACIVSA-N 1 0 298.427 2.402 10 0 CEAERO CCCNC(=O)C[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000107843919 186195413 /nfs/dbraw/zinc/19/54/13/186195413.db2.gz BAILACLBGDSPGL-UHFFFAOYSA-N 1 0 292.276 2.460 10 0 CEAERO COCC[NH2+]CC(=O)Nc1c2ncsc2ccc1Cl ZINC000092495326 180396897 /nfs/dbraw/zinc/39/68/97/180396897.db2.gz UEXPWTXXARYXAQ-UHFFFAOYSA-N 1 0 299.783 2.124 10 0 CEAERO CCCCCN(CCCCC)C(=O)C[NH2+]CCOC ZINC000092495902 180397849 /nfs/dbraw/zinc/39/78/49/180397849.db2.gz INPJRZWZLFECGW-UHFFFAOYSA-N 1 0 272.433 2.431 10 0 CEAERO CNc1cc(N2CCC[C@@H]2C[NH2+]CC(C)(C)C)ncn1 ZINC000109070368 186242672 /nfs/dbraw/zinc/24/26/72/186242672.db2.gz XFMRFXUNUDAPHE-GFCCVEGCSA-N 1 0 277.416 2.123 10 0 CEAERO CCOC(=O)[C@H]1CCCC[N@@H+]1CC1(O)CCCCC1 ZINC000109121520 186243879 /nfs/dbraw/zinc/24/38/79/186243879.db2.gz ITPJOFXLFZVJAQ-CYBMUJFWSA-N 1 0 269.385 2.099 10 0 CEAERO C[C@@H](c1ccc(F)c(F)c1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000108644821 186225009 /nfs/dbraw/zinc/22/50/09/186225009.db2.gz GRDHWGRFWNNGRR-MVWJERBFSA-N 1 0 252.308 2.177 10 0 CEAERO CC(C)[C@@H]1C(=O)NC(=O)C[C@@]12CCC[N@@H+](C(C)C)CC2 ZINC000092689879 180429764 /nfs/dbraw/zinc/42/97/64/180429764.db2.gz QDBMMACKIXPXPR-ZBFHGGJFSA-N 1 0 280.412 2.186 10 0 CEAERO C[NH2+][C@@H]1CCCC[C@H]1c1nc(-c2ccccn2)no1 ZINC000109497400 186257052 /nfs/dbraw/zinc/25/70/52/186257052.db2.gz RVFWSSSNWCQOCM-GHMZBOCLSA-N 1 0 258.325 2.377 10 0 CEAERO C[NH2+][C@@H](C)[C@H](C)c1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000109505715 186257198 /nfs/dbraw/zinc/25/71/98/186257198.db2.gz SDKJZMFOLSNHBZ-UWVGGRQHSA-N 1 0 291.351 2.465 10 0 CEAERO C[NH2+][C@H](Cc1nc(Cc2ccc(F)cc2)no1)C1CC1 ZINC000109501606 186257254 /nfs/dbraw/zinc/25/72/54/186257254.db2.gz BNQLKARCGLMAMZ-CYBMUJFWSA-N 1 0 275.327 2.340 10 0 CEAERO C[NH2+][C@H](Cc1nc(-c2cnccn2)no1)c1ccccc1 ZINC000109507089 186257539 /nfs/dbraw/zinc/25/75/39/186257539.db2.gz VXUNZHQHMPFMHW-GFCCVEGCSA-N 1 0 281.319 2.030 10 0 CEAERO C[NH2+][C@@H](Cc1nc(-c2ccc(OC)cc2)no1)C1CC1 ZINC000109503253 186257728 /nfs/dbraw/zinc/25/77/28/186257728.db2.gz KKUVFTNPFPGLLB-ZDUSSCGKSA-N 1 0 273.336 2.286 10 0 CEAERO CC[NH2+][C@@H](C)[C@@H](CC)c1nc(-c2cnccn2)no1 ZINC000109507110 186257788 /nfs/dbraw/zinc/25/77/88/186257788.db2.gz ONQCSBRDJKYZPX-VHSXEESVSA-N 1 0 261.329 2.018 10 0 CEAERO COc1cccc(Cc2noc([C@H]3CCC[C@H]3[NH3+])n2)c1 ZINC000109513087 186258103 /nfs/dbraw/zinc/25/81/03/186258103.db2.gz CEELWUQKEJVXQW-QWHCGFSZSA-N 1 0 273.336 2.264 10 0 CEAERO CCC[NH2+][C@@H](Cc1nc(CSC)no1)C1CC1 ZINC000109508919 186258227 /nfs/dbraw/zinc/25/82/27/186258227.db2.gz PCCAKKLASPXOQY-JTQLQIEISA-N 1 0 255.387 2.253 10 0 CEAERO C[NH2+][C@H](Cc1nc(COc2ccccc2)no1)C(C)C ZINC000109509443 186258300 /nfs/dbraw/zinc/25/83/00/186258300.db2.gz NKPAXRXXQGCJLJ-CYBMUJFWSA-N 1 0 275.352 2.435 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1c1nc(CCc2ccccc2)no1 ZINC000109515479 186258303 /nfs/dbraw/zinc/25/83/03/186258303.db2.gz KFBMAVJYPHSBOV-OLZOCXBDSA-N 1 0 257.337 2.450 10 0 CEAERO C[NH2+][C@@H](C)[C@@H](C)c1nc(Cc2cccs2)no1 ZINC000109510478 186258412 /nfs/dbraw/zinc/25/84/12/186258412.db2.gz INWKQXDUMTXRMN-BDAKNGLRSA-N 1 0 251.355 2.433 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@H]1c1nc(Cc2cccnc2)no1 ZINC000109510552 186258610 /nfs/dbraw/zinc/25/86/10/186258610.db2.gz BHRDXYALMHPMNZ-CHWSQXEVSA-N 1 0 272.352 2.430 10 0 CEAERO CCC[NH2+][C@@H](C)[C@H](CC)c1nc(CCOC)no1 ZINC000109517050 186258995 /nfs/dbraw/zinc/25/89/95/186258995.db2.gz UKZBXUFFSSGQBF-QWRGUYRKSA-N 1 0 255.362 2.140 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1c1nc(Cc2ccccc2F)no1 ZINC000109516519 186259086 /nfs/dbraw/zinc/25/90/86/186259086.db2.gz KQRBJMFEBIGJFO-CMPLNLGQSA-N 1 0 261.300 2.394 10 0 CEAERO c1ccc(C[C@@H]2CSC(N[C@@H]3CCCOC3)=[NH+]2)cc1 ZINC000109548873 186262334 /nfs/dbraw/zinc/26/23/34/186262334.db2.gz MCZWEECRIFYCSV-ZIAGYGMSSA-N 1 0 276.405 2.469 10 0 CEAERO CC[NH2+]C[C@H]1CCN(Cc2ccc(OC)cc2OC)C1 ZINC000109554408 186262941 /nfs/dbraw/zinc/26/29/41/186262941.db2.gz KMAFXQKPWDTEHE-CYBMUJFWSA-N 1 0 278.396 2.135 10 0 CEAERO CC[NH2+][C@H]1c2ccc(Oc3cccnc3)cc2NC1=O ZINC000109575659 186263473 /nfs/dbraw/zinc/26/34/73/186263473.db2.gz PEJPDFPLPRZYEU-AWEZNQCLSA-N 1 0 269.304 2.477 10 0 CEAERO C[C@H](O)c1ccc(N2CC[C@@H]([NH+](C)C)C2)c(F)c1 ZINC000109584729 186263958 /nfs/dbraw/zinc/26/39/58/186263958.db2.gz FPSBWYOKUYTPRB-CMPLNLGQSA-N 1 0 252.333 2.019 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1C(=S)NC1CCCCC1 ZINC000109671238 186268652 /nfs/dbraw/zinc/26/86/52/186268652.db2.gz NKRGDDSWXKPRTP-CYBMUJFWSA-N 1 0 269.458 2.220 10 0 CEAERO CCOC(=O)CN(C(C)C)[C@@H](CC[NH3+])c1ccccc1 ZINC000109685067 186269137 /nfs/dbraw/zinc/26/91/37/186269137.db2.gz ZBXGATUCTBJCKL-HNNXBMFYSA-N 1 0 278.396 2.350 10 0 CEAERO CC[C@H]([NH2+]CCc1nncn1C)c1cccs1 ZINC000109421580 186251260 /nfs/dbraw/zinc/25/12/60/186251260.db2.gz NYODCQBEVLSSNC-JTQLQIEISA-N 1 0 250.371 2.160 10 0 CEAERO CCc1ccc([C@@H](C)[NH2+]CCc2nncn2C)cc1 ZINC000109420749 186251338 /nfs/dbraw/zinc/25/13/38/186251338.db2.gz QGGIZPQBZINXPA-GFCCVEGCSA-N 1 0 258.369 2.271 10 0 CEAERO Cn1cnnc1CC[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000109422457 186251526 /nfs/dbraw/zinc/25/15/26/186251526.db2.gz DCUIVWMLBOXGKB-GFCCVEGCSA-N 1 0 292.383 2.323 10 0 CEAERO CCCC[C@@H](CC)C(=O)N1CCN([C@@H](C[NH3+])CCC)CC1 ZINC000109449315 186253091 /nfs/dbraw/zinc/25/30/91/186253091.db2.gz DIUAORPXVYKKNN-HZPDHXFCSA-N 1 0 297.487 2.474 10 0 CEAERO CCC[C@H](C(N)=S)[NH+]1CCN(C[C@@H](C)CCC)CC1 ZINC000109470184 186254598 /nfs/dbraw/zinc/25/45/98/186254598.db2.gz OGVBGBDRHLMJMA-UONOGXRCSA-N 1 0 285.501 2.495 10 0 CEAERO CC[C@@H](c1noc(-c2ccc(C)s2)n1)N1CC[NH2+]CC1 ZINC000109474682 186255058 /nfs/dbraw/zinc/25/50/58/186255058.db2.gz JKFXFSSCCFSTPX-NSHDSACASA-N 1 0 292.408 2.463 10 0 CEAERO C[C@@H](c1nc2c(s1)C[C@H](C)CC2)N1CC[NH2+]CC1 ZINC000109472171 186255125 /nfs/dbraw/zinc/25/51/25/186255125.db2.gz MWTFEEGPXWEDHN-MNOVXSKESA-N 1 0 265.426 2.234 10 0 CEAERO CC[C@H](c1noc(-c2ccc(C)cc2)n1)N1CC[NH2+]CC1 ZINC000109474597 186255353 /nfs/dbraw/zinc/25/53/53/186255353.db2.gz GKOIJSUCBOEALA-CQSZACIVSA-N 1 0 286.379 2.401 10 0 CEAERO Cc1nnc(SCC[NH2+][C@H]2CCCC[C@@H]2C)n1C ZINC000110250133 186288679 /nfs/dbraw/zinc/28/86/79/186288679.db2.gz HRIRFDBSQFLDPH-JQWIXIFHSA-N 1 0 268.430 2.384 10 0 CEAERO CCc1nc(Cc2ccc(F)cc2)[nH+]c(NN)c1C ZINC000110468504 186297900 /nfs/dbraw/zinc/29/79/00/186297900.db2.gz RKEJXSKUZICWDY-UHFFFAOYSA-N 1 0 260.316 2.363 10 0 CEAERO [NH3+]Cc1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1 ZINC000110535783 186301831 /nfs/dbraw/zinc/30/18/31/186301831.db2.gz ZTJDMRMPDVHDCD-UHFFFAOYSA-N 1 0 266.304 2.274 10 0 CEAERO CC[NH2+]C[C@H](O[C@H]1CCOC1)c1cccc(F)c1 ZINC000110529503 186302144 /nfs/dbraw/zinc/30/21/44/186302144.db2.gz HZRHVRDVBZDJEJ-KBPBESRZSA-N 1 0 253.317 2.282 10 0 CEAERO C[NH2+]Cc1cc2ccccc2c(O[C@H]2CCOC2)n1 ZINC000110532706 186302233 /nfs/dbraw/zinc/30/22/33/186302233.db2.gz CDTFQQYIFIGHQZ-ZDUSSCGKSA-N 1 0 258.321 2.122 10 0 CEAERO C[C@@](O)(c1cccc2cnccc21)[C@@H]1CCC[NH2+]C1 ZINC000110552180 186303704 /nfs/dbraw/zinc/30/37/04/186303704.db2.gz JLWZMVXNLCSLQR-CJNGLKHVSA-N 1 0 256.349 2.442 10 0 CEAERO C[C@@H]1CCC[C@H](NC(=O)Cc2ccc(C[NH3+])cc2)C1 ZINC000110612033 186304869 /nfs/dbraw/zinc/30/48/69/186304869.db2.gz PDCWVEJFNLPJJH-DOMZBBRYSA-N 1 0 260.381 2.383 10 0 CEAERO COc1cccc(N(C)C(=O)Cc2ccc(C[NH3+])cc2)c1 ZINC000110613770 186304918 /nfs/dbraw/zinc/30/49/18/186304918.db2.gz XASGWQSJVFABRG-UHFFFAOYSA-N 1 0 284.359 2.359 10 0 CEAERO C[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc(C[NH3+])cc1 ZINC000110611691 186305025 /nfs/dbraw/zinc/30/50/25/186305025.db2.gz DBFGMSHOPMOBLF-DOMZBBRYSA-N 1 0 260.381 2.383 10 0 CEAERO COc1cc(N2CC[C@H]([NH+]3CCCC3)C2)c(N)cc1F ZINC000110628016 186306210 /nfs/dbraw/zinc/30/62/10/186306210.db2.gz JWAYZFIUVLOJMK-NSHDSACASA-N 1 0 279.359 2.091 10 0 CEAERO COC[C@@H](C)Cn1c(N)[nH+]c2cc(F)c(OC)cc21 ZINC000110630031 186307612 /nfs/dbraw/zinc/30/76/12/186307612.db2.gz LKFOXGPQVZTWSY-QMMMGPOBSA-N 1 0 267.304 2.049 10 0 CEAERO CN(Cc1ccc2ncccc2c1)[C@H]1CCC[NH2+]C1 ZINC000110932110 186333340 /nfs/dbraw/zinc/33/33/40/186333340.db2.gz ZBLHTFGXBKBVLZ-HNNXBMFYSA-N 1 0 255.365 2.419 10 0 CEAERO CN(C(=O)Cc1c(F)cccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000110927407 186333629 /nfs/dbraw/zinc/33/36/29/186333629.db2.gz QMQORYBWJDCJFN-JTQLQIEISA-N 1 0 284.762 2.232 10 0 CEAERO CCN(c1nncc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000110947489 186335222 /nfs/dbraw/zinc/33/52/22/186335222.db2.gz XNTOXVXMDASSLW-ZDUSSCGKSA-N 1 0 256.353 2.208 10 0 CEAERO CCN(CCOc1ccccc1C(C)=O)[C@@H]1CCC[NH2+]C1 ZINC000110943715 186335611 /nfs/dbraw/zinc/33/56/11/186335611.db2.gz PURAMZDFEMVBOR-OAHLLOKOSA-N 1 0 290.407 2.342 10 0 CEAERO CCN(c1ccc(C(N)=O)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000110947436 186335759 /nfs/dbraw/zinc/33/57/59/186335759.db2.gz OPBATFJCJCXHFG-NSHDSACASA-N 1 0 281.787 2.017 10 0 CEAERO CCCN(Cc1cc(C)c(C(=O)OC)o1)[C@@H]1CCC[NH2+]C1 ZINC000110946692 186335760 /nfs/dbraw/zinc/33/57/60/186335760.db2.gz ZHXSEAMAAWCVNT-CYBMUJFWSA-N 1 0 294.395 2.339 10 0 CEAERO CCN(Cc1cc(C(C)=O)ccc1OC)[C@H]1CCC[NH2+]C1 ZINC000110945172 186335939 /nfs/dbraw/zinc/33/59/39/186335939.db2.gz ZRABNTWJMCTKQQ-INIZCTEOSA-N 1 0 290.407 2.472 10 0 CEAERO CSc1ccc(OCc2cc(C[NH3+])no2)cc1 ZINC000110985249 186338666 /nfs/dbraw/zinc/33/86/66/186338666.db2.gz BHNCIKJHWAZRDZ-UHFFFAOYSA-N 1 0 250.323 2.434 10 0 CEAERO COCCN([C@@H](C[NH3+])c1ccc(C)c(F)c1)[C@@H](C)COC ZINC000110977603 186339092 /nfs/dbraw/zinc/33/90/92/186339092.db2.gz JUEPAEZCBCJQTO-BBRMVZONSA-N 1 0 298.402 2.117 10 0 CEAERO C[NH2+][C@H](C)c1cccc(NC(=O)N2CCN(C)[C@@H](C)C2)c1 ZINC000110694732 186313282 /nfs/dbraw/zinc/31/32/82/186313282.db2.gz REIMOMPTGMBSJK-QWHCGFSZSA-N 1 0 290.411 2.135 10 0 CEAERO C[C@H]1CN(Cc2c(N)cccc2Br)CC[N@@H+]1C ZINC000110700663 186315110 /nfs/dbraw/zinc/31/51/10/186315110.db2.gz GGDTYDREGBZZFH-JTQLQIEISA-N 1 0 298.228 2.167 10 0 CEAERO C[C@H]1CN(Cc2nc3sccc3c(Cl)n2)CC[N@@H+]1C ZINC000110717457 186315250 /nfs/dbraw/zinc/31/52/50/186315250.db2.gz MREDSWMOCGGMSA-VIFPVBQESA-N 1 0 296.827 2.481 10 0 CEAERO CC[C@H]1CN(CCNc2cccc(F)c2)CC[N@@H+]1C ZINC000110757378 186322161 /nfs/dbraw/zinc/32/21/61/186322161.db2.gz DPPIRRGGSSLUAE-HNNXBMFYSA-N 1 0 265.376 2.264 10 0 CEAERO Cc1nc(C[NH3+])sc1-c1nc2ccccc2n1C ZINC000110790733 186323948 /nfs/dbraw/zinc/32/39/48/186323948.db2.gz ZIPKCBPDGWDPBV-UHFFFAOYSA-N 1 0 258.350 2.464 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(SCCS(C)(=O)=O)cc1 ZINC000111005072 186341885 /nfs/dbraw/zinc/34/18/85/186341885.db2.gz SSCWXDZPIHQPFB-JTQLQIEISA-N 1 0 273.423 2.104 10 0 CEAERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1c(N)cccc1Cl ZINC000111012666 186342719 /nfs/dbraw/zinc/34/27/19/186342719.db2.gz XJXIOLSTKASPGX-JTQLQIEISA-N 1 0 281.787 2.088 10 0 CEAERO C[C@@H]([NH2+][C@H]1CCC(=O)NC1)c1nc2ccccc2s1 ZINC000111015753 186344120 /nfs/dbraw/zinc/34/41/20/186344120.db2.gz YCWPXEBLWDCVSK-ZJUUUORDSA-N 1 0 275.377 2.226 10 0 CEAERO CCCc1[nH+]c2cc(N)ccc2n1[C@H]1CCC(=O)NC1 ZINC000111024795 186345553 /nfs/dbraw/zinc/34/55/53/186345553.db2.gz AANLHMUVEIQAIZ-NSHDSACASA-N 1 0 272.352 2.022 10 0 CEAERO NC(=[NH2+])c1cc(F)ccc1-n1ccc(C(F)(F)F)n1 ZINC000111034942 186346854 /nfs/dbraw/zinc/34/68/54/186346854.db2.gz BUTVTSGVVSMLOM-UHFFFAOYSA-N 1 0 272.205 2.314 10 0 CEAERO C[NH+]1CCC(CNc2ccc(F)cc2C(N)=S)CC1 ZINC000111032081 186346936 /nfs/dbraw/zinc/34/69/36/186346936.db2.gz YJYRVJZFAIZWQO-UHFFFAOYSA-N 1 0 281.400 2.214 10 0 CEAERO CC[NH+]1CCC(N(C)c2ccc(F)cc2C(N)=S)CC1 ZINC000111031878 186347024 /nfs/dbraw/zinc/34/70/24/186347024.db2.gz KRHMTNDRBBVSBN-UHFFFAOYSA-N 1 0 295.427 2.380 10 0 CEAERO COc1ccc([C@@H]([C@@H](C)[NH3+])N(C)C[C@@H]2CCCOC2)cc1 ZINC000111154765 186360938 /nfs/dbraw/zinc/36/09/38/186360938.db2.gz SAVUHVVVUWZXHK-JKIFEVAISA-N 1 0 292.423 2.442 10 0 CEAERO COc1ccccc1[C@H]([C@@H](C)[NH3+])N(C)CC1CCOCC1 ZINC000111155901 186361469 /nfs/dbraw/zinc/36/14/69/186361469.db2.gz FBWRVMXKDHVSDO-DYVFJYSZSA-N 1 0 292.423 2.442 10 0 CEAERO Cc1ccc([C@@H](CN)[N@H+](C)CC2CCOCC2)s1 ZINC000111155835 186362409 /nfs/dbraw/zinc/36/24/09/186362409.db2.gz IHEGZJRBJRNRLE-CYBMUJFWSA-N 1 0 268.426 2.415 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccccn1)N(C)CC1CCOCC1 ZINC000111155611 186362964 /nfs/dbraw/zinc/36/29/64/186362964.db2.gz HTLHBYRVYIKJEP-GDBMZVCRSA-N 1 0 277.412 2.218 10 0 CEAERO COc1ccc([C@H]([C@H](C)N)[N@H+](C)CC2CCOCC2)cc1 ZINC000111156242 186363211 /nfs/dbraw/zinc/36/32/11/186363211.db2.gz MBRFBOXSRHTNRD-GUYCJALGSA-N 1 0 292.423 2.442 10 0 CEAERO CC(C)(C)S(=O)(=O)N(c1ccc(C[NH3+])cc1)C1CC1 ZINC000111071321 186351037 /nfs/dbraw/zinc/35/10/37/186351037.db2.gz XNWLUCYYRGQJKM-UHFFFAOYSA-N 1 0 282.409 2.242 10 0 CEAERO CCN(C(=O)C[NH2+]C[C@@H]1C[C@H]2CC[C@@H]1C2)C1CC1 ZINC000111087977 186351504 /nfs/dbraw/zinc/35/15/04/186351504.db2.gz ZJMRGZVTKXFXPP-XQQFMLRXSA-N 1 0 250.386 2.023 10 0 CEAERO O=c1cc(C[NH2+]C[C@H]2C[C@H]3CC[C@@H]2C3)nc2ccccn12 ZINC000111089997 186351822 /nfs/dbraw/zinc/35/18/22/186351822.db2.gz SJFZICFZUGFUOD-BFHYXJOUSA-N 1 0 283.375 2.220 10 0 CEAERO CN(C[C@@H]1C[C@H]2CC[C@@H]1C2)C(=O)C[C@@H]1CCCC[NH2+]1 ZINC000111092174 186352556 /nfs/dbraw/zinc/35/25/56/186352556.db2.gz JOAQEEFNWSCRDC-XGUBFFRZSA-N 1 0 264.413 2.413 10 0 CEAERO CCCOCCOC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000111106291 186352815 /nfs/dbraw/zinc/35/28/15/186352815.db2.gz UQEPKPRTWRLNGO-ZDUSSCGKSA-N 1 0 251.326 2.046 10 0 CEAERO [NH3+]Cc1cc2c(nc1Sc1ccncn1)CCCC2 ZINC000111114620 186353368 /nfs/dbraw/zinc/35/33/68/186353368.db2.gz XKNVCNZZBGWKLS-UHFFFAOYSA-N 1 0 272.377 2.360 10 0 CEAERO CCCOCCOC[C@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000111111294 186353585 /nfs/dbraw/zinc/35/35/85/186353585.db2.gz AJKRNMHNYRYPCB-UONOGXRCSA-N 1 0 273.417 2.365 10 0 CEAERO CCCOCCOC[C@@H]([NH2+]C)c1cc(OC)ccc1OC ZINC000111108225 186354166 /nfs/dbraw/zinc/35/41/66/186354166.db2.gz HPAVQCYWYJWQGU-OAHLLOKOSA-N 1 0 297.395 2.408 10 0 CEAERO CCCOCCOC[C@H]([NH2+]C)c1cc(OC)ccc1OC ZINC000111108222 186354181 /nfs/dbraw/zinc/35/41/81/186354181.db2.gz HPAVQCYWYJWQGU-HNNXBMFYSA-N 1 0 297.395 2.408 10 0 CEAERO CCOCCN(CC)Cc1cc(C[NH2+]C(C)C)no1 ZINC000111124069 186354340 /nfs/dbraw/zinc/35/43/40/186354340.db2.gz WHMGMIDRWUSURS-UHFFFAOYSA-N 1 0 269.389 2.031 10 0 CEAERO CCOCCN(CC)C[C@H]([NH2+]C)c1cccc(OC)c1 ZINC000111118298 186355215 /nfs/dbraw/zinc/35/52/15/186355215.db2.gz FHOIHHQTWGBFQV-INIZCTEOSA-N 1 0 280.412 2.314 10 0 CEAERO CCOCCN(CC)[C@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000111117775 186355350 /nfs/dbraw/zinc/35/53/50/186355350.db2.gz HZRKWFLEUZECPP-CYBMUJFWSA-N 1 0 290.329 2.462 10 0 CEAERO CN(CCC[NH+](C)C)Cc1ccc(N)c2cccnc12 ZINC000111130625 186356030 /nfs/dbraw/zinc/35/60/30/186356030.db2.gz URKGXPQUQDODJJ-UHFFFAOYSA-N 1 0 272.396 2.201 10 0 CEAERO CN(C)CC[N@H+](C)C[C@H](O)C12CC3CC(CC(C3)C1)C2 ZINC000111142907 186358353 /nfs/dbraw/zinc/35/83/53/186358353.db2.gz RVFBGIHBVKUWCI-KLZNEWFBSA-N 1 0 280.456 2.057 10 0 CEAERO Cc1ccc([C@H](O)[C@@H](C)N(C)CCC[NH+](C)C)cc1 ZINC000111143915 186359156 /nfs/dbraw/zinc/35/91/56/186359156.db2.gz ZULADHGJVIQDLU-GDBMZVCRSA-N 1 0 264.413 2.300 10 0 CEAERO COc1ccccc1[C@@H]([C@@H](C)[NH3+])N(C)C[C@@H]1CCCOC1 ZINC000111154479 186359776 /nfs/dbraw/zinc/35/97/76/186359776.db2.gz WMGKHJZKGBXIFK-JKIFEVAISA-N 1 0 292.423 2.442 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1cccnc1)N(C)C[C@@H]1CCCOC1 ZINC000111154333 186360004 /nfs/dbraw/zinc/36/00/04/186360004.db2.gz ROEVTLKJPWNLKX-BPUTZDHNSA-N 1 0 277.412 2.218 10 0 CEAERO C[NH2+]C1CCC(NC(=O)[C@@H]2CCOc3ccccc32)CC1 ZINC000111186216 186367637 /nfs/dbraw/zinc/36/76/37/186367637.db2.gz HLNSNPANWIODKP-SSDMNJCBSA-N 1 0 288.391 2.200 10 0 CEAERO C[N@@H+](Cc1cccc(C(N)=S)c1)C[C@H]1CCCOC1 ZINC000111163064 186364260 /nfs/dbraw/zinc/36/42/60/186364260.db2.gz CUTVTJYQWZJCTF-CYBMUJFWSA-N 1 0 278.421 2.179 10 0 CEAERO C[N@H+](C[C@H]1CCCOC1)[C@@H]1CCc2ccccc2[C@@H]1O ZINC000111168655 186364505 /nfs/dbraw/zinc/36/45/05/186364505.db2.gz BFAHGOLDJYJCMJ-XYPHTWIQSA-N 1 0 275.392 2.393 10 0 CEAERO CC[NH2+]CCCc1nnc(-c2ccc3c(c2)COC3)o1 ZINC000111307049 186394888 /nfs/dbraw/zinc/39/48/88/186394888.db2.gz DXRHEZCPBAOOSQ-UHFFFAOYSA-N 1 0 273.336 2.309 10 0 CEAERO CN(C)c1nnc(SCCC[NH2+]C(C)(C)C)s1 ZINC000111316512 186395524 /nfs/dbraw/zinc/39/55/24/186395524.db2.gz WYPWIZLETTUXFL-UHFFFAOYSA-N 1 0 274.459 2.474 10 0 CEAERO C[C@@H]([NH3+])[C@H](Sc1nnc(N(C)C)s1)c1cccnc1 ZINC000111315257 186396044 /nfs/dbraw/zinc/39/60/44/186396044.db2.gz IGRYRCXIRPBKEZ-SCZZXKLOSA-N 1 0 295.437 2.180 10 0 CEAERO Nc1c([C@@H]2CCCOC2)[nH+]cn1Cc1ccccc1 ZINC000111318318 186396068 /nfs/dbraw/zinc/39/60/68/186396068.db2.gz XCFIIZGEMRDUTK-CYBMUJFWSA-N 1 0 257.337 2.408 10 0 CEAERO C[C@H]([NH3+])[C@@H](Sc1nnc(N(C)C)s1)c1cccnc1 ZINC000111315259 186396414 /nfs/dbraw/zinc/39/64/14/186396414.db2.gz IGRYRCXIRPBKEZ-WCBMZHEXSA-N 1 0 295.437 2.180 10 0 CEAERO CCN(c1ccc(F)cc1)[C@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111321124 186396878 /nfs/dbraw/zinc/39/68/78/186396878.db2.gz ZLPQNACFFAHLHK-IUODEOHRSA-N 1 0 266.360 2.406 10 0 CEAERO C[C@@H]1CCCC[C@@H]1[N@H+](C)[C@@H](CN)[C@@H]1CCCOC1 ZINC000111321004 186397251 /nfs/dbraw/zinc/39/72/51/186397251.db2.gz IBGSANRUDNXLGR-KBXIAJHMSA-N 1 0 254.418 2.251 10 0 CEAERO [NH3+][C@@H](c1nc2c(s1)CCCC2)[C@@H]1CCCOC1 ZINC000111322164 186397289 /nfs/dbraw/zinc/39/72/89/186397289.db2.gz VROQJBJWCNIYCO-BXKDBHETSA-N 1 0 252.383 2.448 10 0 CEAERO CCC[NH2+]C[C@]1(CN(C)Cc2ccccn2)CCCOC1 ZINC000111325509 186399085 /nfs/dbraw/zinc/39/90/85/186399085.db2.gz LSWOGUFOQHAXKA-KRWDZBQOSA-N 1 0 291.439 2.310 10 0 CEAERO CCCN(CC(F)(F)F)C[C@@]1(C[NH2+]C)CCCOC1 ZINC000111326300 186399167 /nfs/dbraw/zinc/39/91/67/186399167.db2.gz XVZIYPIULANYRM-LBPRGKRZSA-N 1 0 282.350 2.277 10 0 CEAERO O=C(OCCc1cccs1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111241309 186374968 /nfs/dbraw/zinc/37/49/68/186374968.db2.gz CWVOGMCKDJJVLA-NSHDSACASA-N 1 0 293.310 2.376 10 0 CEAERO Cc1ccccc1Cc1noc([C@H]2C[NH2+]C[C@@H]2C)n1 ZINC000111256558 186378799 /nfs/dbraw/zinc/37/87/99/186378799.db2.gz RRVLHZPIJKXGJR-AAEUAGOBSA-N 1 0 257.337 2.292 10 0 CEAERO COCCn1c2ccccc2nc1[C@H]1C[NH2+]C[C@@H]1C ZINC000111256127 186379575 /nfs/dbraw/zinc/37/95/75/186379575.db2.gz FHHMJWKFKUWZGL-RYUDHWBXSA-N 1 0 259.353 2.006 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)OCc1ccccc1Cl ZINC000111257491 186379660 /nfs/dbraw/zinc/37/96/60/186379660.db2.gz XQCUJIHEPJREGP-KOLCDFICSA-N 1 0 253.729 2.239 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000111263759 186382107 /nfs/dbraw/zinc/38/21/07/186382107.db2.gz XDVLAVUVQWDLGM-IONNQARKSA-N 1 0 256.708 2.273 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(Cl)cc1F ZINC000111266003 186382642 /nfs/dbraw/zinc/38/26/42/186382642.db2.gz DYWDLTWYSOEDSP-VXNVDRBHSA-N 1 0 256.708 2.273 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000111266965 186383273 /nfs/dbraw/zinc/38/32/73/186383273.db2.gz NJSFGXLAKMTVFG-WFASDCNBSA-N 1 0 273.380 2.081 10 0 CEAERO Cc1ccc(CN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)C2CC2)cc1 ZINC000111268815 186384325 /nfs/dbraw/zinc/38/43/25/186384325.db2.gz QTXDEIDTAFYJRD-CZUORRHYSA-N 1 0 272.392 2.342 10 0 CEAERO [NH3+]Cc1ccc(C(=O)Nc2cnc3ccccc3c2)nc1 ZINC000111282369 186390082 /nfs/dbraw/zinc/39/00/82/186390082.db2.gz MUFFNRYLEFFXKV-UHFFFAOYSA-N 1 0 278.315 2.341 10 0 CEAERO C[NH2+]C[C@@H]1CCCCN1C(=O)c1ccc2cc[nH]c2c1 ZINC000111289142 186391037 /nfs/dbraw/zinc/39/10/37/186391037.db2.gz WZODRPLUZOEJCR-AWEZNQCLSA-N 1 0 271.364 2.382 10 0 CEAERO C[C@@H]1CN(c2nc3ccccc3cc2CC[NH3+])CCCO1 ZINC000111482734 186422748 /nfs/dbraw/zinc/42/27/48/186422748.db2.gz ZZGYJJNNCRKMTR-CYBMUJFWSA-N 1 0 285.391 2.351 10 0 CEAERO CCCN(C)c1nc2ccccn2c1C[C@@H]([NH3+])CC ZINC000111492014 186423960 /nfs/dbraw/zinc/42/39/60/186423960.db2.gz ZOVLTVWFOGNJCF-LBPRGKRZSA-N 1 0 260.385 2.460 10 0 CEAERO C[C@H]([NH3+])Cc1cc(F)c(N(C)C[C@@H]2CCCO2)c(F)c1 ZINC000111505287 186424747 /nfs/dbraw/zinc/42/47/47/186424747.db2.gz DEDZTBCLWJKQOG-JQWIXIFHSA-N 1 0 284.350 2.470 10 0 CEAERO Cc1nn(C)c(N(C)Cc2ccoc2C)c1C[C@@H](C)[NH3+] ZINC000111510586 186425065 /nfs/dbraw/zinc/42/50/65/186425065.db2.gz YSCVRMMZOFSZMC-SNVBAGLBSA-N 1 0 276.384 2.156 10 0 CEAERO CCCO[C@H]1CCCN(c2c(C[C@@H](C)[NH3+])c(C)nn2C)C1 ZINC000111511230 186425672 /nfs/dbraw/zinc/42/56/72/186425672.db2.gz IYNVNWITQGDNGV-OCCSQVGLSA-N 1 0 294.443 2.014 10 0 CEAERO CCC[NH2+]Cc1ccc(Sc2nc(N)cc(N)n2)cc1 ZINC000111570130 186428941 /nfs/dbraw/zinc/42/89/41/186428941.db2.gz OKYCRPCUTRHPCR-UHFFFAOYSA-N 1 0 289.408 2.292 10 0 CEAERO Cc1nn(C)c(SCc2ccco2)c1CC[NH3+] ZINC000111583392 186429310 /nfs/dbraw/zinc/42/93/10/186429310.db2.gz MAURRHTZBZAQIL-UHFFFAOYSA-N 1 0 251.355 2.115 10 0 CEAERO CN(C)c1nnc(Sc2ccc(CC[NH3+])cc2F)s1 ZINC000111583149 186429470 /nfs/dbraw/zinc/42/94/70/186429470.db2.gz JQJJVRDUYBWUEC-UHFFFAOYSA-N 1 0 298.412 2.396 10 0 CEAERO CC[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C)c1 ZINC000111720271 186450225 /nfs/dbraw/zinc/45/02/25/186450225.db2.gz IRWYMWCCDUONFX-AWEZNQCLSA-N 1 0 296.436 2.148 10 0 CEAERO CC(C)[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000111720679 186450398 /nfs/dbraw/zinc/45/03/98/186450398.db2.gz FGVHNGBTBGNTOO-AWEZNQCLSA-N 1 0 296.436 2.228 10 0 CEAERO CCn1c(COC2CC[NH2+]CC2)nc2ccccc21 ZINC000111756540 186453590 /nfs/dbraw/zinc/45/35/90/186453590.db2.gz OLKSFDQXOFUGEH-UHFFFAOYSA-N 1 0 259.353 2.325 10 0 CEAERO CC[C@]1(C(=O)NCc2cc(F)ccc2F)CCC[NH2+]C1 ZINC000111406369 186414613 /nfs/dbraw/zinc/41/46/13/186414613.db2.gz TWOUPEJXKLXNBJ-HNNXBMFYSA-N 1 0 282.334 2.361 10 0 CEAERO CC[N@H+](CC(=O)N[C@@H](C)c1ccc(C)o1)C1CC1 ZINC000131062281 366016129 /nfs/dbraw/zinc/01/61/29/366016129.db2.gz UBEUKNMASNWFLL-NSHDSACASA-N 1 0 250.342 2.250 10 0 CEAERO CCC[NH2+]CC1CCN(c2ncnc(OCC)c2C)CC1 ZINC000090789871 535157992 /nfs/dbraw/zinc/15/79/92/535157992.db2.gz IDVVGHNRNPZUTE-UHFFFAOYSA-N 1 0 292.427 2.400 10 0 CEAERO CCC[NH2+][C@H](Cc1csc(C)n1)[C@@H]1CCOC1 ZINC000113150611 186555594 /nfs/dbraw/zinc/55/55/94/186555594.db2.gz RSQIITBUMFXWPX-DGCLKSJQSA-N 1 0 254.399 2.399 10 0 CEAERO COC(=O)c1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)s1 ZINC000119181416 186807888 /nfs/dbraw/zinc/80/78/88/186807888.db2.gz BCRICAXUAJYTIB-NWDGAFQWSA-N 1 0 294.420 2.203 10 0 CEAERO COCCN1CC[C@@H]([NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000070300398 363068174 /nfs/dbraw/zinc/06/81/74/363068174.db2.gz SRFNNMNKCZZXJY-OLZOCXBDSA-N 1 0 272.751 2.200 10 0 CEAERO c1cnn(CC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000130402329 187492021 /nfs/dbraw/zinc/49/20/21/187492021.db2.gz OQTBZSNWIUNHFW-UHFFFAOYSA-N 1 0 256.353 2.190 10 0 CEAERO C[C@@H]1CN(C(=O)C2CCC3(CC3)CC2)C[C@@H]1C[NH3+] 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260.168 2.419 10 0 CEAERO C[C@@H]1CN(C(=O)Nc2ccc(Cl)cc2)C[C@@H]1C[NH3+] ZINC000630582146 351792596 /nfs/dbraw/zinc/79/25/96/351792596.db2.gz QWOQOJHUPZEQFW-ZJUUUORDSA-N 1 0 267.760 2.399 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)N(CCC(F)(F)F)CC1CC1 ZINC000121875370 187002285 /nfs/dbraw/zinc/00/22/85/187002285.db2.gz KQCNPZBDCYHGEE-SNVBAGLBSA-N 1 0 266.307 2.305 10 0 CEAERO COc1ccc(C)cc1[C@H](C)[NH2+]C[C@H](C)N1CCOCC1 ZINC000123354570 187086437 /nfs/dbraw/zinc/08/64/37/187086437.db2.gz ZRZJYZIVACLZEZ-GJZGRUSLSA-N 1 0 292.423 2.375 10 0 CEAERO [NH3+]C[C@@H]1CCCN1CCOc1cccc(Cl)c1 ZINC000123462307 187093525 /nfs/dbraw/zinc/09/35/25/187093525.db2.gz JNZHJBQUVOHDAR-LBPRGKRZSA-N 1 0 254.761 2.142 10 0 CEAERO CC[C@](C)(O)C[N@@H+]1CC[C@H](CNc2cccc(C)n2)C1 ZINC000123484826 187094876 /nfs/dbraw/zinc/09/48/76/187094876.db2.gz CJUJRIUELWLBNX-ZBFHGGJFSA-N 1 0 277.412 2.285 10 0 CEAERO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CCOCC2)cc1 ZINC000123537189 187097312 /nfs/dbraw/zinc/09/73/12/187097312.db2.gz 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CEAERO Cc1ncccc1C[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000131949912 366103776 /nfs/dbraw/zinc/10/37/76/366103776.db2.gz YBXXSZFUBHKNFC-HNNXBMFYSA-N 1 0 256.353 2.461 10 0 CEAERO O[C@@H]1CCCC[C@@H]1[C@H]1CCC[N@@H+]1CCOCC1CC1 ZINC000337278004 366122321 /nfs/dbraw/zinc/12/23/21/366122321.db2.gz FXWNRIUAHVGPAY-BZUAXINKSA-N 1 0 267.413 2.429 10 0 CEAERO CC[N@@H+]1C[C@H](C)N(C(=O)C[C@@H]2CCCCC(=O)N2)C[C@H]1C ZINC000328675699 202005987 /nfs/dbraw/zinc/00/59/87/202005987.db2.gz QYZOSZNHAOGKRE-RDBSUJKOSA-N 1 0 295.427 2.217 10 0 CEAERO O[C@@H]1CCCC[C@H]1[NH+]1CCC(Nc2ccccn2)CC1 ZINC000132846864 366174303 /nfs/dbraw/zinc/17/43/03/366174303.db2.gz GLSMQXABTJVXEH-HUUCEWRRSA-N 1 0 275.396 2.261 10 0 CEAERO Cc1cc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])c(C)s1 ZINC000157726738 540043715 /nfs/dbraw/zinc/04/37/15/540043715.db2.gz KUQFCMKCUDTLEN-CMPLNLGQSA-N 1 0 252.383 2.222 10 0 CEAERO CO[C@@]1(CO)CCC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000401897808 540100607 /nfs/dbraw/zinc/10/06/07/540100607.db2.gz ZEWCLXQLVPGJHE-OLZOCXBDSA-N 1 0 277.355 2.285 10 0 CEAERO C[C@@H]1CCN(c2cncc(Br)c2)[C@H](C[NH3+])C1 ZINC000261580718 540149089 /nfs/dbraw/zinc/14/90/89/540149089.db2.gz NCPWEHFZBQXBNK-KOLCDFICSA-N 1 0 284.201 2.408 10 0 CEAERO Cc1ccc(O[C@H](C)CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000261695513 540150373 /nfs/dbraw/zinc/15/03/73/540150373.db2.gz IANYLHIVGCJRRK-IIAWOOMASA-N 1 0 290.407 2.254 10 0 CEAERO C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[C@H]2C2CCCCC2)C1 ZINC000247232580 283115333 /nfs/dbraw/zinc/11/53/33/283115333.db2.gz DAXANSUNHRXNMH-SNPRPXQTSA-N 1 0 264.413 2.271 10 0 CEAERO C[C@@H](Cc1cccs1)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054306891 540208240 /nfs/dbraw/zinc/20/82/40/540208240.db2.gz ZMSMVISPIYTKEO-NWDGAFQWSA-N 1 0 266.410 2.185 10 0 CEAERO OCCN1CCC[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000384441721 540208558 /nfs/dbraw/zinc/20/85/58/540208558.db2.gz YDFKGTCNTAFYMV-QGZVFWFLSA-N 1 0 274.408 2.110 10 0 CEAERO C[C@H](C[C@H]1CCCC[NH2+]1)N1C(=O)c2ccccc2C1=O ZINC000575479031 366291913 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COc1ccc(C)cc1[C@@H](C)NC(=O)CC[NH2+]C1CC1 ZINC000037612831 538843461 /nfs/dbraw/zinc/84/34/61/538843461.db2.gz QFAAGAHMYFBDRF-GFCCVEGCSA-N 1 0 276.380 2.323 10 0 CEAERO CS[C@@H]1CC[N@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000294163265 198934084 /nfs/dbraw/zinc/93/40/84/198934084.db2.gz BITUWJLTBXDGEG-LSDHHAIUSA-N 1 0 281.421 2.001 10 0 CEAERO C[C@H]([NH2+]CCCOc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000578004988 366429125 /nfs/dbraw/zinc/42/91/25/366429125.db2.gz ZCGRRXCNDLBPHP-GJZGRUSLSA-N 1 0 262.397 2.433 10 0 CEAERO COc1c(C)ccc(NC(=O)[C@]2(C)CCC[NH2+]2)c1C ZINC000079512572 363611078 /nfs/dbraw/zinc/61/10/78/363611078.db2.gz JSQIKJMXKXZMDD-HNNXBMFYSA-N 1 0 262.353 2.393 10 0 CEAERO Cc1cc(N(C)C)ccc1NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079513183 363611190 /nfs/dbraw/zinc/61/11/90/363611190.db2.gz NXRJGIRNYMJRBU-OAHLLOKOSA-N 1 0 261.369 2.142 10 0 CEAERO CC(C)[C@H]1CCCN(C(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC000079521854 363612741 /nfs/dbraw/zinc/61/27/41/363612741.db2.gz XZHOJVWTWQUQJV-DZGCQCFKSA-N 1 0 252.402 2.413 10 0 CEAERO Cc1nnc([C@H](C)[NH2+]C[C@H]2CCC[C@H](O)C2)s1 ZINC000391952867 540416685 /nfs/dbraw/zinc/41/66/85/540416685.db2.gz HDDQVQIUDUKTCR-LSJOCFKGSA-N 1 0 255.387 2.048 10 0 CEAERO C/C=C(\C)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000685939260 540635282 /nfs/dbraw/zinc/63/52/82/540635282.db2.gz KCEHJFKHHGFPOW-CFRHYJNPSA-N 1 0 276.355 2.354 10 0 CEAERO CCC[N@@H+]1CC[C@H](N)C12CCN(C(=O)OC(C)(C)C)CC2 ZINC000685953140 540648385 /nfs/dbraw/zinc/64/83/85/540648385.db2.gz GKZLAAWRCOTEIC-ZDUSSCGKSA-N 1 0 297.443 2.199 10 0 CEAERO CCC[C@H](C(=O)Nc1ccc(-c2nnco2)cc1)[NH+](C)C ZINC000138065062 366550571 /nfs/dbraw/zinc/55/05/71/366550571.db2.gz ADLHYSPTSHLAOV-CYBMUJFWSA-N 1 0 288.351 2.405 10 0 CEAERO Cc1cc([C@@H]2C[NH2+]C[C@]2(C)N)ccc1Br ZINC000685965601 540664582 /nfs/dbraw/zinc/66/45/82/540664582.db2.gz KZPMLTXXKQDYTO-JQWIXIFHSA-N 1 0 269.186 2.162 10 0 CEAERO Nc1ccc(S[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000148264465 366579640 /nfs/dbraw/zinc/57/96/40/366579640.db2.gz JOFSAVLLVAEWEV-MRVPVSSYSA-N 1 0 273.199 2.485 10 0 CEAERO Cc1nn(C)cc1CN[C@H](C[NH+](C)C)c1ccccc1 ZINC000148868094 366585113 /nfs/dbraw/zinc/58/51/13/366585113.db2.gz RQONEQGDSSYECU-MRXNPFEDSA-N 1 0 272.396 2.121 10 0 CEAERO CCC[C@H]([NH3+])C(=O)Nc1nc(-c2ccco2)cs1 ZINC000236960388 370666054 /nfs/dbraw/zinc/66/60/54/370666054.db2.gz QWRVZKHCSCGYKA-QMMMGPOBSA-N 1 0 265.338 2.469 10 0 CEAERO Cn1cc(CCC(=O)N2CC[C@H]([NH+](C)C)C2)c2ccccc21 ZINC000151430697 366644065 /nfs/dbraw/zinc/64/40/65/366644065.db2.gz CJQXQBWLCGKHPP-HNNXBMFYSA-N 1 0 299.418 2.273 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NOCc1ccccc1 ZINC000177317585 189043571 /nfs/dbraw/zinc/04/35/71/189043571.db2.gz ACLAIYCDZBXAFG-OAHLLOKOSA-N 1 0 291.395 2.244 10 0 CEAERO CCc1ccc([C@@H](C)[NH2+][C@@H](C)CS(C)(=O)=O)cc1 ZINC000081899612 363745759 /nfs/dbraw/zinc/74/57/59/363745759.db2.gz ZLMXLLASKUULFV-NWDGAFQWSA-N 1 0 269.410 2.333 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc21 ZINC000223382188 283584603 /nfs/dbraw/zinc/58/46/03/283584603.db2.gz XQKQNSRGDJUXMY-RBSFLKMASA-N 1 0 258.365 2.308 10 0 CEAERO C[C@@H]1C[C@@H]1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179147732 189173211 /nfs/dbraw/zinc/17/32/11/189173211.db2.gz VSXJJUWDXYDMNV-REBRKWNGSA-N 1 0 273.380 2.139 10 0 CEAERO COc1cc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)ccc1Cl ZINC000179342268 189187384 /nfs/dbraw/zinc/18/73/84/189187384.db2.gz LYQOJHRRISMCMW-GFCCVEGCSA-N 1 0 294.782 2.269 10 0 CEAERO CCC[C@H](C(=O)N[C@H](C)COCc1ccccc1)[NH+](C)C ZINC000179468294 189196253 /nfs/dbraw/zinc/19/62/53/189196253.db2.gz FFVCULVUHKVJLN-GDBMZVCRSA-N 1 0 292.423 2.438 10 0 CEAERO CCC(C)(C)C1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC000676234589 540907594 /nfs/dbraw/zinc/90/75/94/540907594.db2.gz DZJFUNRSIKLQIF-WXRRBKDZSA-N 1 0 252.402 2.460 10 0 CEAERO Cc1cccnc1C[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000180472043 189257248 /nfs/dbraw/zinc/25/72/48/189257248.db2.gz OBWGLHJPGABLOI-OAHLLOKOSA-N 1 0 256.353 2.461 10 0 CEAERO COC(=O)C1(c2ccccc2Cl)CC[NH2+]CC1 ZINC000000022417 361116484 /nfs/dbraw/zinc/11/64/84/361116484.db2.gz UIGOGSKCKDTMTR-UHFFFAOYSA-N 1 0 253.729 2.134 10 0 CEAERO CCC[C@@H](C)[NH2+]C[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000180566692 189262255 /nfs/dbraw/zinc/26/22/55/189262255.db2.gz ADQLAFYURKXWFO-OLZOCXBDSA-N 1 0 277.416 2.265 10 0 CEAERO COc1ccc([C@@H](C)[NH2+][C@H]2CCc3ncnn3C2)cc1F ZINC000180605818 189265544 /nfs/dbraw/zinc/26/55/44/189265544.db2.gz PKVJOEHKPROTOR-PWSUYJOCSA-N 1 0 290.342 2.091 10 0 CEAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H](C)c1ccccn1)CC2 ZINC000180504998 189259414 /nfs/dbraw/zinc/25/94/14/189259414.db2.gz CDGCGAQYDQBHPM-STQMWFEESA-N 1 0 285.395 2.462 10 0 CEAERO Cc1cccc(CCC[N@H+]2CCN(C[C@@H](C)O)[C@H](C)C2)c1 ZINC000181093836 189288646 /nfs/dbraw/zinc/28/86/46/189288646.db2.gz DUTBXOONUQFSLO-IAGOWNOFSA-N 1 0 290.451 2.315 10 0 CEAERO CCC[N@@H+]1CCC[C@@H](c2cccc3[nH]c(=O)[nH]c32)C1 ZINC000003783473 361290391 /nfs/dbraw/zinc/29/03/91/361290391.db2.gz HCSVLTDRVZVWRM-LLVKDONJSA-N 1 0 259.353 2.446 10 0 CEAERO Cc1ccc(C[C@@H](C)C(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000181200400 189290539 /nfs/dbraw/zinc/29/05/39/189290539.db2.gz YRQWCKHQVMCNFF-ZBFHGGJFSA-N 1 0 274.408 2.336 10 0 CEAERO O[C@@H](C[N@@H+]1CC[C@H](Oc2cccnc2)C1)c1ccccc1 ZINC000152428960 366697145 /nfs/dbraw/zinc/69/71/45/366697145.db2.gz VAPGOEWHBWXNDT-IRXDYDNUSA-N 1 0 284.359 2.268 10 0 CEAERO CCC[C@@H](C)[NH2+][C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182337225 189320650 /nfs/dbraw/zinc/32/06/50/189320650.db2.gz BQYXHLPVBBRCSU-YPMHNXCESA-N 1 0 278.400 2.002 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(Br)cc1 ZINC000082558838 363770240 /nfs/dbraw/zinc/77/02/40/363770240.db2.gz JIJYHIIQAWCTLL-LDYMZIIASA-N 1 0 283.169 2.243 10 0 CEAERO Cc1ccc(NS(=O)(=O)c2ccc(CC[NH3+])cc2)cc1 ZINC000011849311 361366431 /nfs/dbraw/zinc/36/64/31/361366431.db2.gz AANMGLGWNGVYQC-UHFFFAOYSA-N 1 0 290.388 2.297 10 0 CEAERO COCCC[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000083799048 363787523 /nfs/dbraw/zinc/78/75/23/363787523.db2.gz ZALRVYWDTDUFKU-ZDUSSCGKSA-N 1 0 286.416 2.260 10 0 CEAERO Cc1cnn([C@@H]2CCC[N@H+](CCCn3ccnc3)C2)c1 ZINC000182761994 189333695 /nfs/dbraw/zinc/33/36/95/189333695.db2.gz CQZPGHVYWAREJV-OAHLLOKOSA-N 1 0 273.384 2.115 10 0 CEAERO Cc1ccc(O)c(C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)c1 ZINC000083704037 363783731 /nfs/dbraw/zinc/78/37/31/363783731.db2.gz KLYIFARGOLCTJH-KBPBESRZSA-N 1 0 288.391 2.399 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccnc(O[C@@H](C)CC)c1 ZINC000183068361 189345039 /nfs/dbraw/zinc/34/50/39/189345039.db2.gz KPJRCVXIRXEPEH-TYNCELHUSA-N 1 0 293.411 2.249 10 0 CEAERO C[NH+](C)C[C@@H]1CN(CCSc2ccc(F)cc2)CCO1 ZINC000155267677 366812556 /nfs/dbraw/zinc/81/25/56/366812556.db2.gz VHJHROQBCYWVEI-CQSZACIVSA-N 1 0 298.427 2.180 10 0 CEAERO Cc1cccc2c(NC[C@H](O)c3cnn(C)c3)cc[nH+]c12 ZINC000301678312 201133101 /nfs/dbraw/zinc/13/31/01/201133101.db2.gz QYCMHPSVIHRDQW-HNNXBMFYSA-N 1 0 282.347 2.422 10 0 CEAERO C[C@H]1CCCC[C@]1(C[NH3+])N1C(=O)c2ccccc2C1=O ZINC000155785455 366822709 /nfs/dbraw/zinc/82/27/09/366822709.db2.gz XSBRMMIVVCEPGW-MEDUHNTESA-N 1 0 272.348 2.190 10 0 CEAERO Cc1cc(C)c(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)[nH]1 ZINC000155916801 366823731 /nfs/dbraw/zinc/82/37/31/366823731.db2.gz MNJQGHLGSGYFKR-KBPBESRZSA-N 1 0 275.396 2.188 10 0 CEAERO O=C(/C=C/c1ccc(O)cc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000183502704 189360706 /nfs/dbraw/zinc/36/07/06/189360706.db2.gz DRFMEHQZROURKC-RZIFZGNASA-N 1 0 286.375 2.102 10 0 CEAERO [NH3+][C@H]1CCOc2ccc(I)cc21 ZINC000016082996 361483430 /nfs/dbraw/zinc/48/34/30/361483430.db2.gz IMWOQKPUSMKPEC-QMMMGPOBSA-N 1 0 275.089 2.074 10 0 CEAERO C[C@@H](NC(=O)CC[C@H]1CCC[NH2+]1)c1ccc2c(c1)OCO2 ZINC000261646445 296045631 /nfs/dbraw/zinc/04/56/31/296045631.db2.gz JGAJKKULSNQBFZ-DGCLKSJQSA-N 1 0 290.363 2.125 10 0 CEAERO CCOc1ccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000027932533 361663404 /nfs/dbraw/zinc/66/34/04/361663404.db2.gz VIYWIIWKNGUECB-AWEZNQCLSA-N 1 0 274.364 2.006 10 0 CEAERO CCC[C@@H](C(=O)NC[C@@H](C)c1nc(C)cs1)[NH+](C)C ZINC000186001174 189427571 /nfs/dbraw/zinc/42/75/71/189427571.db2.gz MRTVOJIOWBBRDP-PWSUYJOCSA-N 1 0 283.441 2.402 10 0 CEAERO COc1ccsc1[C@@H](C)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000186207363 189432970 /nfs/dbraw/zinc/43/29/70/189432970.db2.gz OYWSTTIOBJXIKB-NXEZZACHSA-N 1 0 278.381 2.014 10 0 CEAERO CCc1cc(N(C)C[C@H]2CCC[N@H+]2CC)nc(C)n1 ZINC000302114409 201345087 /nfs/dbraw/zinc/34/50/87/201345087.db2.gz VPVYZBSNQJJPJA-CQSZACIVSA-N 1 0 262.401 2.268 10 0 CEAERO C[NH+](C)C[C@@H]1CN(CCSCc2ccccc2)CCO1 ZINC000186417149 189438904 /nfs/dbraw/zinc/43/89/04/189438904.db2.gz ODENPNVVPNMWJC-MRXNPFEDSA-N 1 0 294.464 2.182 10 0 CEAERO Cc1nc(C[N@@H+]2CCC[C@H]2CCCO)sc1C ZINC000088538080 363906693 /nfs/dbraw/zinc/90/66/93/363906693.db2.gz WEPSEYFAFSSBBW-LBPRGKRZSA-N 1 0 254.399 2.497 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc2cc[nH]c21 ZINC000089697601 363993608 /nfs/dbraw/zinc/99/36/08/363993608.db2.gz CULVZEIBVNJLKB-GXTWGEPZSA-N 1 0 283.375 2.477 10 0 CEAERO CCC[C@@H](C(=O)Nc1ccc(OC)nc1C)[NH+](C)C ZINC000092601988 364088188 /nfs/dbraw/zinc/08/81/88/364088188.db2.gz UMJMBSJWXWIHQE-LBPRGKRZSA-N 1 0 265.357 2.067 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc2c(c1)CCN2 ZINC000092630064 364090286 /nfs/dbraw/zinc/09/02/86/364090286.db2.gz BRVWPUWZPJDCDE-OAHLLOKOSA-N 1 0 287.407 2.211 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)c1ncncc1Br ZINC000092670775 364096310 /nfs/dbraw/zinc/09/63/10/364096310.db2.gz JMKOJGZRDRYUGW-JTQLQIEISA-N 1 0 299.216 2.160 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(C)n1 ZINC000092696131 364099677 /nfs/dbraw/zinc/09/96/77/364099677.db2.gz YICOLIUEEBGZIR-HZPDHXFCSA-N 1 0 259.397 2.449 10 0 CEAERO CCCC(=O)N[C@H]1CCC[N@H+](Cc2cccnc2C)C1 ZINC000092708629 364101069 /nfs/dbraw/zinc/10/10/69/364101069.db2.gz IYNZIHQFZHRJOD-HNNXBMFYSA-N 1 0 275.396 2.271 10 0 CEAERO CN(c1cccnn1)C1CC[NH+](Cc2ccco2)CC1 ZINC000093272407 364156716 /nfs/dbraw/zinc/15/67/16/364156716.db2.gz RXCNHPLHPRYJGH-UHFFFAOYSA-N 1 0 272.352 2.170 10 0 CEAERO [NH3+][C@@H]1CC[C@H](C(=O)Nc2cccc(Oc3cccnn3)c2)C1 ZINC000237970379 370763025 /nfs/dbraw/zinc/76/30/25/370763025.db2.gz SPWHSELJLBCPFU-NWDGAFQWSA-N 1 0 298.346 2.335 10 0 CEAERO [NH3+][C@@H]1CC[C@H](C(=O)Nc2ccc(N3CCCCC3)cn2)C1 ZINC000237967810 370763263 /nfs/dbraw/zinc/76/32/63/370763263.db2.gz CFPBEKRHGLJBSV-QWHCGFSZSA-N 1 0 288.395 2.138 10 0 CEAERO Cc1c(C[NH2+]C[C@H](c2ccco2)N2CCCC2)cnn1C ZINC000093649272 364208257 /nfs/dbraw/zinc/20/82/57/364208257.db2.gz CGXDIPFYBHZTAK-OAHLLOKOSA-N 1 0 288.395 2.248 10 0 CEAERO [NH3+][C@@H]1CC[C@H](C(=O)NCc2cccc(OCC(F)F)c2)C1 ZINC000237997170 370765165 /nfs/dbraw/zinc/76/51/65/370765165.db2.gz YQUSWDAXUBUHBC-NWDGAFQWSA-N 1 0 298.333 2.074 10 0 CEAERO [NH3+][C@H]1CCC[C@H](C(=O)NCCOC2CCCCCC2)C1 ZINC000237914176 370759117 /nfs/dbraw/zinc/75/91/17/370759117.db2.gz OWPIOEVREJICEG-KBPBESRZSA-N 1 0 282.428 2.360 10 0 CEAERO CCOc1nc2ccccc2nc1N1CCC[C@H](C[NH3+])C1 ZINC000095069693 364329766 /nfs/dbraw/zinc/32/97/66/364329766.db2.gz 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C[C@H]([NH3+])[C@H]1CCCN(c2ccc(OC(F)F)cn2)C1 ZINC000262217040 371839027 /nfs/dbraw/zinc/83/90/27/371839027.db2.gz MHKZYTXLECMVMW-UWVGGRQHSA-N 1 0 271.311 2.247 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+][C@@H]2C[C@@H](C)CC[C@H]2C)C1 ZINC000263524255 371940779 /nfs/dbraw/zinc/94/07/79/371940779.db2.gz SNRSGZRAJBCBOL-FKQQDJLNSA-N 1 0 282.428 2.338 10 0 CEAERO CCCCS[C@H](C)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000262653772 371891843 /nfs/dbraw/zinc/89/18/43/371891843.db2.gz YVQQNHKFNVPBKT-WOPDTQHZSA-N 1 0 258.431 2.152 10 0 CEAERO C[C@H](COCc1ccccc1)[NH2+][C@H]1CN(C)C[C@H]1C ZINC000361661559 372011761 /nfs/dbraw/zinc/01/17/61/372011761.db2.gz GLDKOLXISWQMFA-FMKPAKJESA-N 1 0 262.397 2.131 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1nnc(C)s1 ZINC000362273627 372293874 /nfs/dbraw/zinc/29/38/74/372293874.db2.gz BPFXJHRTFGVCGN-OLZOCXBDSA-N 1 0 280.441 2.295 10 0 CEAERO Cc1sc(-c2ccco2)nc1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000237714801 189887907 /nfs/dbraw/zinc/88/79/07/189887907.db2.gz WDRAPBYXUZOCFZ-SNVBAGLBSA-N 1 0 291.376 2.275 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1ccc2c(c1)OCCCO2 ZINC000054290076 541878199 /nfs/dbraw/zinc/87/81/99/541878199.db2.gz QLGGSEQSILEEJN-GFCCVEGCSA-N 1 0 290.363 2.176 10 0 CEAERO O=C(CCC1CC[NH2+]CC1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000237949162 189894787 /nfs/dbraw/zinc/89/47/87/189894787.db2.gz FRZWNMYATDEFHC-GASCZTMLSA-N 1 0 264.413 2.415 10 0 CEAERO [NH3+]C[C@H]1CCCN1C(=O)c1ccc(OCC2CC2)cc1 ZINC000238050773 189898599 /nfs/dbraw/zinc/89/85/99/189898599.db2.gz XNGNMWMIFBCZAY-CQSZACIVSA-N 1 0 274.364 2.039 10 0 CEAERO COCCC1(C(=O)Nc2cccc(F)c2)CC[NH2+]CC1 ZINC000643614667 373221152 /nfs/dbraw/zinc/22/11/52/373221152.db2.gz GUQFZKXNRZMMLP-UHFFFAOYSA-N 1 0 280.343 2.171 10 0 CEAERO CN(Cc1ccc(F)cc1F)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054307803 541887052 /nfs/dbraw/zinc/88/70/52/541887052.db2.gz SIPFMJJUVLJLLA-NSHDSACASA-N 1 0 282.334 2.313 10 0 CEAERO COc1ccccc1[C@@H](C)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054308807 541887161 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ZINC000279409068 374865424 /nfs/dbraw/zinc/86/54/24/374865424.db2.gz VSHOAVJLRFXNKX-CVEARBPZSA-N 1 0 263.381 2.395 10 0 CEAERO c1ccc2oc(N3CC[C@H]4C[NH2+]C[C@H]4CC3)nc2c1 ZINC000381791276 375180075 /nfs/dbraw/zinc/18/00/75/375180075.db2.gz CEXJYZMIIGGUOA-TXEJJXNPSA-N 1 0 257.337 2.264 10 0 CEAERO CC(C)(C)c1ccnc(N[C@H](CC[NH3+])C(F)F)n1 ZINC000383568169 375203955 /nfs/dbraw/zinc/20/39/55/375203955.db2.gz WJHPPMRVFWENHD-MRVPVSSYSA-N 1 0 258.316 2.169 10 0 CEAERO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1ncccc1C(=O)OC ZINC000383643081 375204948 /nfs/dbraw/zinc/20/49/48/375204948.db2.gz FFTNDKMLGLPMGF-BXUZGUMPSA-N 1 0 262.353 2.489 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCc1cccc(Cl)c1 ZINC000384480473 375211849 /nfs/dbraw/zinc/21/18/49/375211849.db2.gz PRUYYCLZPVSUJC-SMDDNHRTSA-N 1 0 280.799 2.387 10 0 CEAERO CC[NH2+][C@H](C)CNc1cncc(Br)c1 ZINC000387660620 375279909 /nfs/dbraw/zinc/27/99/09/375279909.db2.gz NDZBWJWEKYUBTN-MRVPVSSYSA-N 1 0 258.163 2.254 10 0 CEAERO C[C@@H]([NH2+]C1CCN(CCO)CC1)[C@H]1CC2CCC1CC2 ZINC000399011470 375354259 /nfs/dbraw/zinc/35/42/59/375354259.db2.gz BIKDPAYSRHGZBS-ARAOSMHQSA-N 1 0 280.456 2.248 10 0 CEAERO C[C@H]1CCC[C@@H]([NH2+]C2CCN(CCO)CC2)CC1 ZINC000399153037 375359289 /nfs/dbraw/zinc/35/92/89/375359289.db2.gz CAGPUFSYQCOOAR-UONOGXRCSA-N 1 0 254.418 2.002 10 0 CEAERO COc1ccc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)cc1Cl ZINC000282187970 375423546 /nfs/dbraw/zinc/42/35/46/375423546.db2.gz BTKAMQDNNCENSI-CABZTGNLSA-N 1 0 282.771 2.105 10 0 CEAERO CCn1nccc1C[NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC000282629160 375535136 /nfs/dbraw/zinc/53/51/36/375535136.db2.gz GCUFJSQUHOSYOK-GFCCVEGCSA-N 1 0 296.415 2.248 10 0 CEAERO COc1ccc([C@H](C)[NH2+][C@H]2CCC(=O)N[C@@H]2C)cc1F ZINC000282509417 375502320 /nfs/dbraw/zinc/50/23/20/375502320.db2.gz YVPNRKWKINDOHY-CWSCBRNRSA-N 1 0 280.343 2.152 10 0 CEAERO C[C@@H](C[NH2+]Cc1cncs1)N(C)C(=O)OC(C)(C)C ZINC000282674504 375545264 /nfs/dbraw/zinc/54/52/64/375545264.db2.gz JTYYCGRBQXWVII-JTQLQIEISA-N 1 0 285.413 2.488 10 0 CEAERO O=C([C@H]1CCc2ccccc21)N1CCC2(C1)CC[NH2+]CC2 ZINC000334268932 206284512 /nfs/dbraw/zinc/28/45/12/206284512.db2.gz QBJOIHUCVAKQHX-INIZCTEOSA-N 1 0 284.403 2.319 10 0 CEAERO CN(C(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1ccc(C(C)(C)C)cc1 ZINC000261759891 190043845 /nfs/dbraw/zinc/04/38/45/190043845.db2.gz FFCKKXKNXZWWPC-CABCVRRESA-N 1 0 290.407 2.453 10 0 CEAERO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)[C@H](OC)c1ccccc1F ZINC000262175921 190050287 /nfs/dbraw/zinc/05/02/87/190050287.db2.gz YKBPZCBVNUMASI-GVARAGBVSA-N 1 0 296.386 2.391 10 0 CEAERO C[S@@](=O)c1cccc(NC(=O)CCCCCC[NH3+])c1 ZINC000262602483 190058478 /nfs/dbraw/zinc/05/84/78/190058478.db2.gz DITPNBQJJHTELB-LJQANCHMSA-N 1 0 282.409 2.272 10 0 CEAERO NC(=O)[C@]1(O)CCC[N@H+](CC2CCCCCC2)C1 ZINC000335917229 295021632 /nfs/dbraw/zinc/02/16/32/295021632.db2.gz IJFJSXUVBSLJGB-AWEZNQCLSA-N 1 0 254.374 2.319 10 0 CEAERO C[S@](=O)Cc1cccc(NC(=O)CCCCCC[NH3+])c1 ZINC000262660189 190060142 /nfs/dbraw/zinc/06/01/42/190060142.db2.gz ZAXSJIHNYWEWQT-FQEVSTJZSA-N 1 0 296.436 2.413 10 0 CEAERO CCCOc1ccc(CNC(=O)[C@@](C)([NH3+])CCC)cn1 ZINC000262720390 190061131 /nfs/dbraw/zinc/06/11/31/190061131.db2.gz YUHCSYMDXVFXJQ-HNNXBMFYSA-N 1 0 279.384 2.004 10 0 CEAERO [NH3+][C@@H]1CC[C@H](Nc2ccc(Br)cn2)C1 ZINC000306553984 376549999 /nfs/dbraw/zinc/54/99/99/376549999.db2.gz LEISHEJNLOFPLQ-BDAKNGLRSA-N 1 0 256.147 2.136 10 0 CEAERO C[C@H]([NH3+])[C@H]1C[C@H]1c1ncc(I)s1 ZINC000306716161 376553813 /nfs/dbraw/zinc/55/38/13/376553813.db2.gz AWTKKKZTOYTLCV-KVQBGUIXSA-N 1 0 294.161 2.198 10 0 CEAERO [NH3+][C@H]1CCO[C@@H]1c1ccc(I)cc1 ZINC000307431259 376565825 /nfs/dbraw/zinc/56/58/25/376565825.db2.gz WQUXZGIOJJIDHX-VHSXEESVSA-N 1 0 289.116 2.080 10 0 CEAERO CC(C)c1nsc(N2C[C@@H](C)[C@](C)(C[NH3+])C2)n1 ZINC000310102067 376615134 /nfs/dbraw/zinc/61/51/34/376615134.db2.gz YGNCXDYBQHBJDK-BXKDBHETSA-N 1 0 254.403 2.083 10 0 CEAERO CCn1nc(C)c([C@H](C)NC[C@@H](C)C[NH+](C)C)c1C ZINC000311821735 376688504 /nfs/dbraw/zinc/68/85/04/376688504.db2.gz NITIYLCIKWRCLU-NEPJUHHUSA-N 1 0 266.433 2.368 10 0 CEAERO COCc1nc(CN[C@@H](C)C[N@H+](C)C(C)C)cs1 ZINC000685626415 542170901 /nfs/dbraw/zinc/17/09/01/542170901.db2.gz NXOPEQRPOCWSKE-NSHDSACASA-N 1 0 271.430 2.108 10 0 CEAERO C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@@H](O)C(C)(C)C ZINC000293662747 377685100 /nfs/dbraw/zinc/68/51/00/377685100.db2.gz PSMPRHZJVIRXAZ-SMDDNHRTSA-N 1 0 251.370 2.320 10 0 CEAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(O)ccc2F)C1 ZINC000296568510 378578720 /nfs/dbraw/zinc/57/87/20/378578720.db2.gz QGRQKRMVJRIBFT-NHYWBVRUSA-N 1 0 292.354 2.088 10 0 CEAERO CCc1nn(C)cc1C[N@@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000180140712 542262060 /nfs/dbraw/zinc/26/20/60/542262060.db2.gz WYOSSGWUUPCOTJ-OAHLLOKOSA-N 1 0 287.411 2.325 10 0 CEAERO CCC1(CC)CN(c2ccccn2)CC[S@]1=O ZINC000302231749 379340224 /nfs/dbraw/zinc/34/02/24/379340224.db2.gz XWHLKEPNJOLHMI-QGZVFWFLSA-N 1 0 252.383 2.209 10 0 CEAERO COC(=O)c1cccnc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000302357257 379361354 /nfs/dbraw/zinc/36/13/54/379361354.db2.gz NLHSLURBPMLPDL-RYUDHWBXSA-N 1 0 262.353 2.346 10 0 CEAERO CCC[C@H](C)[N@H+](C)Cc1ncccc1C(=O)OC ZINC000302420995 379369433 /nfs/dbraw/zinc/36/94/33/379369433.db2.gz UGZVHVWGVXRRGF-NSHDSACASA-N 1 0 250.342 2.489 10 0 CEAERO COc1c(F)cc(F)cc1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261619115 183672490 /nfs/dbraw/zinc/67/24/90/183672490.db2.gz ANZGAAZSNIBZOV-PSASIEDQSA-N 1 0 284.306 2.287 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)/C=C\c1cccc(O)c1 ZINC000492518391 380585907 /nfs/dbraw/zinc/58/59/07/380585907.db2.gz BGJHUOFSFBPXCG-WHLNPGIBSA-N 1 0 290.407 2.498 10 0 CEAERO C[C@@H]1C[C@@H](O)C[N@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000334746444 207008197 /nfs/dbraw/zinc/00/81/97/207008197.db2.gz PYBOGMFQIRNKJL-CZUORRHYSA-N 1 0 271.364 2.075 10 0 CEAERO C[C@@H]1CN(C(=O)/C=C\c2ccc(Cl)s2)C[C@H]1[NH3+] ZINC000493612400 381086596 /nfs/dbraw/zinc/08/65/96/381086596.db2.gz ARUFGRPIKWVFSO-SRIDUCRUSA-N 1 0 270.785 2.220 10 0 CEAERO Clc1ccc(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)c(Cl)c1 ZINC000334819816 207132010 /nfs/dbraw/zinc/13/20/10/207132010.db2.gz JKLRGQJOWQZFDO-QWHCGFSZSA-N 1 0 287.190 2.166 10 0 CEAERO Cc1ccccc1[C@H](CN1CCOCC1)[NH2+][C@H]1C[C@@H]1C ZINC000183552394 542292631 /nfs/dbraw/zinc/29/26/31/542292631.db2.gz YGGBKMCVDSSZCM-XIRDDKMYSA-N 1 0 274.408 2.366 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)N(C)CCC[NH+](C)C)o1 ZINC000185250109 542304042 /nfs/dbraw/zinc/30/40/42/542304042.db2.gz HBUSCAFUKYDFKT-LBPRGKRZSA-N 1 0 267.373 2.242 10 0 CEAERO C[NH2+][C@H]1c2ccc(OC)cc2CC[C@@H]1Sc1nc[nH]n1 ZINC000081850636 184597476 /nfs/dbraw/zinc/59/74/76/184597476.db2.gz GJHSRJDQHURHKJ-STQMWFEESA-N 1 0 290.392 2.181 10 0 CEAERO CC[NH2+][C@H]1CCOC[C@H]1Sc1nc2ccccc2[nH]1 ZINC000081862854 184598428 /nfs/dbraw/zinc/59/84/28/184598428.db2.gz UYTODYSMMBCSIA-QWHCGFSZSA-N 1 0 277.393 2.422 10 0 CEAERO [NH3+]C[C@@]1(OCc2ccc3c(c2)CCC3)CCCOC1 ZINC000086722249 184610767 /nfs/dbraw/zinc/61/07/67/184610767.db2.gz CQPLEHPWLKNGHB-INIZCTEOSA-N 1 0 261.365 2.200 10 0 CEAERO CCC[NH2+]CCCCS(=O)(=O)N(C)[C@H](C)C(C)C ZINC000088963146 184615767 /nfs/dbraw/zinc/61/57/67/184615767.db2.gz ROBVWDHRASKTRE-CYBMUJFWSA-N 1 0 278.462 2.072 10 0 CEAERO CC[C@H]1CCCN(S(=O)(=O)c2csc(C[NH3+])c2)C1 ZINC000088965326 184615772 /nfs/dbraw/zinc/61/57/72/184615772.db2.gz ZIQZZLWOHXQUGA-JTQLQIEISA-N 1 0 288.438 2.018 10 0 CEAERO CCC[NH2+]C[C@](C)(O)COc1cccc(C)c1C ZINC000090822712 184618344 /nfs/dbraw/zinc/61/83/44/184618344.db2.gz ZWWWZFWKCNOQER-HNNXBMFYSA-N 1 0 251.370 2.433 10 0 CEAERO CCC[NH2+]C[C@@](C)(O)COc1c(OC)cc(C)cc1OC ZINC000090824003 184618647 /nfs/dbraw/zinc/61/86/47/184618647.db2.gz UDDZEGXASYHDSX-MRXNPFEDSA-N 1 0 297.395 2.142 10 0 CEAERO C[C@@H]1CCCC[C@@H]1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000246779073 296335098 /nfs/dbraw/zinc/33/50/98/296335098.db2.gz BDTMFKPRDAJRKZ-TUVASFSCSA-N 1 0 279.428 2.443 10 0 CEAERO CC[N@@H+]1C[C@@H](C)[C@H](NCc2ccc(Br)o2)C1 ZINC000381296590 542351853 /nfs/dbraw/zinc/35/18/53/542351853.db2.gz GQZNTNRRUXMGFN-MWLCHTKSSA-N 1 0 287.201 2.472 10 0 CEAERO Cc1cc2c(n1CCCC(=O)NC1CC1)CCC[C@H]2[NH3+] ZINC000092997642 184641254 /nfs/dbraw/zinc/64/12/54/184641254.db2.gz UAFHHKKHECLNEE-CQSZACIVSA-N 1 0 275.396 2.191 10 0 CEAERO CC(C)[NH2+]C[C@@H]1CCO[C@H]1c1cn2ccccc2n1 ZINC000092866448 184632956 /nfs/dbraw/zinc/63/29/56/184632956.db2.gz BYSGGIXWHWPGHZ-SWLSCSKDSA-N 1 0 259.353 2.410 10 0 CEAERO CCOC(=O)C[C@]1([NH2+]C)CCc2ccc(OC)cc21 ZINC000092861442 184633058 /nfs/dbraw/zinc/63/30/58/184633058.db2.gz AXCDVPXIJIKYTE-OAHLLOKOSA-N 1 0 263.337 2.009 10 0 CEAERO CC[NH2+]C[C@H]1CCO[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000092863404 184633317 /nfs/dbraw/zinc/63/33/17/184633317.db2.gz ZYEFUYLAUIYPGZ-ABAIWWIYSA-N 1 0 295.379 2.400 10 0 CEAERO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cc(Cl)ccc1F ZINC000092951164 184637313 /nfs/dbraw/zinc/63/73/13/184637313.db2.gz PQQNEMOZMPXLFW-IONNQARKSA-N 1 0 256.708 2.416 10 0 CEAERO CCn1nc(C)cc1CC1(c2ccccc2)C[NH2+]C1 ZINC000093195926 184654778 /nfs/dbraw/zinc/65/47/78/184654778.db2.gz KHUYQMPEOFAVAC-UHFFFAOYSA-N 1 0 255.365 2.295 10 0 CEAERO CC[NH2+]C[C@@H](Cc1ncnn1C)c1cccc(Cl)c1 ZINC000093165473 184653266 /nfs/dbraw/zinc/65/32/66/184653266.db2.gz HYZUTLGONUQBHB-GFCCVEGCSA-N 1 0 278.787 2.404 10 0 CEAERO CCOC(OCC)[C@@H]([NH3+])c1cc(C)ccc1OC ZINC000093306632 184661716 /nfs/dbraw/zinc/66/17/16/184661716.db2.gz JSEASCSUMHSUAW-ZDUSSCGKSA-N 1 0 253.342 2.403 10 0 CEAERO [NH3+][C@H]1CCC[C@H](Nc2cc3c(cc2Cl)NC(=O)CO3)C1 ZINC000093212209 184656144 /nfs/dbraw/zinc/65/61/44/184656144.db2.gz DNVFZVLLOWWEBI-IUCAKERBSA-N 1 0 295.770 2.353 10 0 CEAERO CCCn1c2ccc(F)cc2nc1COCC[NH3+] ZINC000093228584 184657028 /nfs/dbraw/zinc/65/70/28/184657028.db2.gz OFTBSLBVSMEXIP-UHFFFAOYSA-N 1 0 251.305 2.061 10 0 CEAERO CC[C@H](C)CN(CC)S(=O)(=O)c1ccc(C[NH2+]C)cc1 ZINC000093264168 184658976 /nfs/dbraw/zinc/65/89/76/184658976.db2.gz DMUQGMYGGJKIDL-ZDUSSCGKSA-N 1 0 298.452 2.463 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1coc(C2CCC2)n1 ZINC000194551879 542361098 /nfs/dbraw/zinc/36/10/98/542361098.db2.gz OTGDFDHPUSQYKG-CYBMUJFWSA-N 1 0 291.395 2.498 10 0 CEAERO C[C@H](OC1CCCCCC1)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000237558491 299553871 /nfs/dbraw/zinc/55/38/71/299553871.db2.gz KIGZRODRLCFNLO-GZBFAFLISA-N 1 0 282.428 2.358 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nn(C)cc1Cl ZINC000335446151 208477793 /nfs/dbraw/zinc/47/77/93/208477793.db2.gz ZDSYZEJQHCTBMK-NEPJUHHUSA-N 1 0 282.819 2.132 10 0 CEAERO CC[C@@H]1C[C@@]2(C[NH+]=C(N)N2c2cccc(OC)c2)CCO1 ZINC000093388109 184669755 /nfs/dbraw/zinc/66/97/55/184669755.db2.gz XMBNHOPBDLIBLT-CZUORRHYSA-N 1 0 289.379 2.158 10 0 CEAERO [NH3+]Cc1c(F)cccc1-n1ccc(C(F)(F)F)n1 ZINC000093395578 184670925 /nfs/dbraw/zinc/67/09/25/184670925.db2.gz NQCBLLNOBQKKJM-UHFFFAOYSA-N 1 0 259.206 2.489 10 0 CEAERO CC[C@H](C)S(=O)(=O)[C@H]1CCc2ccccc2[C@@H]1[NH3+] ZINC000081938156 177903832 /nfs/dbraw/zinc/90/38/32/177903832.db2.gz DPSCMPIEGPFCDQ-BPNCWPANSA-N 1 0 267.394 2.215 10 0 CEAERO [NH3+][C@@H](CS(=O)(=O)Cc1ccccc1)c1ccccc1 ZINC000081923791 177897866 /nfs/dbraw/zinc/89/78/66/177897866.db2.gz GBLJTKARUOGFIH-HNNXBMFYSA-N 1 0 275.373 2.301 10 0 CEAERO CC[NH2+][C@@H]1CCCC[C@@H]1S(=O)(=O)c1cccc(OC)c1 ZINC000081923485 177896768 /nfs/dbraw/zinc/89/67/68/177896768.db2.gz GTPYWFHZLKHAII-CABCVRRESA-N 1 0 297.420 2.390 10 0 CEAERO [NH3+][C@H]1CCCCC[C@@H]1S(=O)(=O)c1ccc(F)cc1 ZINC000081921287 177895392 /nfs/dbraw/zinc/89/53/92/177895392.db2.gz NXMMWLGAANKBJN-STQMWFEESA-N 1 0 271.357 2.259 10 0 CEAERO Cc1ccc(C)c([C@@H](C)[NH2+][C@@H](C)CS(C)(=O)=O)c1 ZINC000081900162 177883434 /nfs/dbraw/zinc/88/34/34/177883434.db2.gz MMYSNVHGVQHVMX-QWHCGFSZSA-N 1 0 269.410 2.387 10 0 CEAERO CC[NH2+][C@H](CSc1n[nH]c(=O)n1CC)c1ccccc1 ZINC000081879843 177874051 /nfs/dbraw/zinc/87/40/51/177874051.db2.gz CJDXSBRFCAZBBO-GFCCVEGCSA-N 1 0 292.408 2.034 10 0 CEAERO CCC[NH2+][C@@H](C)CCCSc1n[nH]c(=O)n1CCC ZINC000081879061 177872445 /nfs/dbraw/zinc/87/24/45/177872445.db2.gz DVDBHICCAFJCSQ-NSHDSACASA-N 1 0 286.445 2.242 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2C[C@H]1Sc1ncccn1 ZINC000081871197 177869773 /nfs/dbraw/zinc/86/97/73/177869773.db2.gz NTRAJHVDOJAHEI-CHWSQXEVSA-N 1 0 257.362 2.454 10 0 CEAERO Cn1cnnc1S[C@H]1CCCc2ccccc2[C@H]1[NH3+] ZINC000081866906 177866790 /nfs/dbraw/zinc/86/67/90/177866790.db2.gz BKCUQBNOAHOUBI-QWHCGFSZSA-N 1 0 274.393 2.312 10 0 CEAERO CCC[NH2+][C@@H](CSc1nnnn1C)c1ccc(C)cc1 ZINC000081844153 177865681 /nfs/dbraw/zinc/86/56/81/177865681.db2.gz AZJHOFDZPZWJRR-ZDUSSCGKSA-N 1 0 291.424 2.352 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C)n2)C12CCOCC2 ZINC000186262438 270249351 /nfs/dbraw/zinc/24/93/51/270249351.db2.gz NRURQULYCBDRCV-HZPDHXFCSA-N 1 0 290.407 2.454 10 0 CEAERO CCOC(=O)CCC[NH2+]Cc1ccc(O)c(Cl)c1 ZINC000081545272 177815182 /nfs/dbraw/zinc/81/51/82/177815182.db2.gz WXKAAKCUJDUQKE-UHFFFAOYSA-N 1 0 271.744 2.479 10 0 CEAERO O=C(N[C@H]1CCCc2occc21)[C@@H]1CCCCC[NH2+]1 ZINC000081018039 177755588 /nfs/dbraw/zinc/75/55/88/177755588.db2.gz QRWLRJUUAXPHGK-STQMWFEESA-N 1 0 262.353 2.305 10 0 CEAERO Cc1ccc2n1CCN(C(=O)[C@@H]1CCCCC[NH2+]1)[C@H]2C ZINC000081015881 177755421 /nfs/dbraw/zinc/75/54/21/177755421.db2.gz BARRDGCCQDTPHR-KBPBESRZSA-N 1 0 275.396 2.232 10 0 CEAERO O=C(Nc1ccc2c(c1)OCCCO2)[C@@H]1CCCCC[NH2+]1 ZINC000080993194 177749472 /nfs/dbraw/zinc/74/94/72/177749472.db2.gz WACMZQXUAMGMIQ-ZDUSSCGKSA-N 1 0 290.363 2.319 10 0 CEAERO NC(=O)c1cc(F)ccc1OCC1([NH3+])CCCCCC1 ZINC000080901552 177725640 /nfs/dbraw/zinc/72/56/40/177725640.db2.gz KPWPMVOCOGEUGL-UHFFFAOYSA-N 1 0 280.343 2.355 10 0 CEAERO CC[C@@](C)(CO)[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000080898345 177724944 /nfs/dbraw/zinc/72/49/44/177724944.db2.gz XFESXIDOKXIXLQ-STQMWFEESA-N 1 0 257.761 2.124 10 0 CEAERO CCC[NH2+][C@@H](C)c1csc(N2CCn3ccnc3C2)n1 ZINC000080830871 177712622 /nfs/dbraw/zinc/71/26/22/177712622.db2.gz OITJSJRNQFKNRL-NSHDSACASA-N 1 0 291.424 2.420 10 0 CEAERO CCOC1CCN(c2nc([C@@H](C)[NH2+]C)cs2)CC1 ZINC000080805232 177710390 /nfs/dbraw/zinc/71/03/90/177710390.db2.gz KFYYBRKKEGCHBT-SNVBAGLBSA-N 1 0 269.414 2.429 10 0 CEAERO CCOCC[N@H+](CC)C[C@H](C(N)=S)c1ccccc1 ZINC000080797802 177708878 /nfs/dbraw/zinc/70/88/78/177708878.db2.gz PYTOAJFCORUPMA-AWEZNQCLSA-N 1 0 280.437 2.415 10 0 CEAERO CCC[NH2+][C@@H](c1c(C)ccnc1N)[C@H](C)OCC ZINC000080744224 177697516 /nfs/dbraw/zinc/69/75/16/177697516.db2.gz LKBAAZRVVYKXGK-WCQYABFASA-N 1 0 251.374 2.438 10 0 CEAERO COc1ccc2cc([C@@H]3NC(=O)CC[C@@H]3[NH3+])ccc2c1 ZINC000080695821 177693096 /nfs/dbraw/zinc/69/30/96/177693096.db2.gz BAUOBWQQCFLUOG-HOCLYGCPSA-N 1 0 270.332 2.127 10 0 CEAERO COC[C@H](C)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000246329885 285329466 /nfs/dbraw/zinc/32/94/66/285329466.db2.gz HTGDMBRTSFXEDX-HRCADAONSA-N 1 0 296.455 2.382 10 0 CEAERO C[NH2+][C@@H]1CCC[C@@H]1CCN1CCc2ccccc2C1=O ZINC000093557655 184691126 /nfs/dbraw/zinc/69/11/26/184691126.db2.gz NNYHKVLUBSXEQH-GDBMZVCRSA-N 1 0 272.392 2.463 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1CCSc1nnnn1-c1ccccc1 ZINC000093578527 184691714 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ZINC000093748938 184712874 /nfs/dbraw/zinc/71/28/74/184712874.db2.gz BGLXRFNOGFPPQO-RDJZCZTQSA-N 1 0 294.439 2.469 10 0 CEAERO CCOC(=O)[C@]1(NC2CC2)CCC[C@H]([NH+]2CCCC2)C1 ZINC000093748416 184713005 /nfs/dbraw/zinc/71/30/05/184713005.db2.gz LKMGRUAAUFXXAJ-HOCLYGCPSA-N 1 0 280.412 2.079 10 0 CEAERO COC(=O)[C@]1(N)CCC[C@H]([NH+](CC(C)C)CC(C)C)C1 ZINC000093751228 184713735 /nfs/dbraw/zinc/71/37/35/184713735.db2.gz TXCSAZTXEJDEGI-HOCLYGCPSA-N 1 0 284.444 2.414 10 0 CEAERO CCN[C@]1(C(=O)OCC)CCC[C@H]([N@H+](CC)C2CC2)C1 ZINC000093749945 184713801 /nfs/dbraw/zinc/71/38/01/184713801.db2.gz XNMUOBBCLYNZNN-GOEBONIOSA-N 1 0 282.428 2.325 10 0 CEAERO CCCc1nccn1[C@H]1CCC[C@](CO)([NH2+]C2CC2)C1 ZINC000093784004 184720868 /nfs/dbraw/zinc/72/08/68/184720868.db2.gz MCWLZSDGMRSDHU-HOCLYGCPSA-N 1 0 277.412 2.434 10 0 CEAERO CCCCOCCO[C@@H]1CCC[C@@](CO)([NH2+]CCC)C1 ZINC000093784853 184721963 /nfs/dbraw/zinc/72/19/63/184721963.db2.gz KDLSMRCLSCVEJD-HZPDHXFCSA-N 1 0 287.444 2.493 10 0 CEAERO COCCS[C@H]1CCC[C@](CO)([NH2+]C(C)C)C1 ZINC000093787090 184722594 /nfs/dbraw/zinc/72/25/94/184722594.db2.gz JKYYQISDELNJKG-STQMWFEESA-N 1 0 261.431 2.038 10 0 CEAERO COc1ccc(NC(=O)N(C)CC2CC[NH2+]CC2)cc1 ZINC000094023561 184751172 /nfs/dbraw/zinc/75/11/72/184751172.db2.gz PMGXZHCYWWYCLT-UHFFFAOYSA-N 1 0 277.368 2.159 10 0 CEAERO CN(CC1CC[NH2+]CC1)c1nc(C(C)(C)C)ns1 ZINC000094043147 184752076 /nfs/dbraw/zinc/75/20/76/184752076.db2.gz DRKJCTMYOHIAIS-UHFFFAOYSA-N 1 0 268.430 2.271 10 0 CEAERO CC[NH2+][C@H](C)[C@H](C)c1nc(-c2ccc(F)cn2)no1 ZINC000094051298 184752635 /nfs/dbraw/zinc/75/26/35/184752635.db2.gz SMPPNEFOWWHWHJ-DTWKUNHWSA-N 1 0 264.304 2.372 10 0 CEAERO Clc1ccc(-n2cccn2)c(N[C@@H]2CC[NH2+]C2)c1 ZINC000094087002 184754668 /nfs/dbraw/zinc/75/46/68/184754668.db2.gz KKPRYCUTTUXPQV-LLVKDONJSA-N 1 0 262.744 2.300 10 0 CEAERO CCCn1c2ccccc2nc1CC1(O)CC[NH+](C)CC1 ZINC000094166982 184758876 /nfs/dbraw/zinc/75/88/76/184758876.db2.gz CDJVKUNCRRDHJR-UHFFFAOYSA-N 1 0 287.407 2.446 10 0 CEAERO CC[NH2+][C@H](c1ccc2c(c1)CC(=O)N2C)[C@@H]1CCO[C@@H]1C ZINC000094176467 184759546 /nfs/dbraw/zinc/75/95/46/184759546.db2.gz QUBKCUCFVFIYGJ-JDSLSITLSA-N 1 0 288.391 2.281 10 0 CEAERO CCN(C[C@H](C)C[NH3+])C(=O)c1ccc(F)c(F)c1F ZINC000094183446 184760048 /nfs/dbraw/zinc/76/00/48/184760048.db2.gz LCXBXQBZXHBVBN-MRVPVSSYSA-N 1 0 274.286 2.161 10 0 CEAERO Cn1c(Cl)cnc1COc1ccc(C[NH2+]C2CC2)nc1 ZINC000094210875 184762869 /nfs/dbraw/zinc/76/28/69/184762869.db2.gz XWCVUOLXGREMQK-UHFFFAOYSA-N 1 0 292.770 2.300 10 0 CEAERO CCOC(=O)[C@H](CC)Oc1ccc(C[C@@H]([NH3+])CC)nc1 ZINC000094216527 184764436 /nfs/dbraw/zinc/76/44/36/184764436.db2.gz ZRHOSZPQUSRJCD-FZMZJTMJSA-N 1 0 280.368 2.082 10 0 CEAERO COc1cc(C[NH3+])c(Cc2nccs2)cc1OC ZINC000094253779 184770173 /nfs/dbraw/zinc/77/01/73/184770173.db2.gz GFNUMRUZKMDSSZ-UHFFFAOYSA-N 1 0 264.350 2.210 10 0 CEAERO C[C@H]1C[N@H+](C[C@@H]2CCCC(C)(C)C2=O)CCN1C ZINC000094285806 184775697 /nfs/dbraw/zinc/77/56/97/184775697.db2.gz PFEOTLAFDVFQSL-STQMWFEESA-N 1 0 252.402 2.018 10 0 CEAERO CC1(C)CC[C@@H](Oc2ccc3c(c2)CCC(=O)N3)[C@H]1[NH3+] ZINC000094307654 184778282 /nfs/dbraw/zinc/77/82/82/184778282.db2.gz LWZYYHHCFGUZIQ-UKRRQHHQSA-N 1 0 274.364 2.466 10 0 CEAERO CC1(C)CCC[C@]1(C[NH3+])N1CCN(c2nccs2)CC1 ZINC000094309163 184778301 /nfs/dbraw/zinc/77/83/01/184778301.db2.gz VVAZTOKYTJZYEO-OAHLLOKOSA-N 1 0 294.468 2.173 10 0 CEAERO COc1ccccc1C[C@]1(C[NH3+])CCC(C)(C)[C@@H]1O ZINC000094314678 184779164 /nfs/dbraw/zinc/77/91/64/184779164.db2.gz VLWIJWGHLRYZCS-HOCLYGCPSA-N 1 0 263.381 2.364 10 0 CEAERO CC1(C)CCC[C@](C[NH3+])(CC[C@@H]2CCCO2)[C@@H]1O ZINC000094320602 184780152 /nfs/dbraw/zinc/78/01/52/184780152.db2.gz WELZIMBAEPNPFJ-GZBFAFLISA-N 1 0 255.402 2.462 10 0 CEAERO CCc1nccn1-c1nc(C(F)(F)F)ccc1C[NH3+] ZINC000094334383 184782333 /nfs/dbraw/zinc/78/23/33/184782333.db2.gz JOJCUJNHDVTUNX-UHFFFAOYSA-N 1 0 270.258 2.307 10 0 CEAERO CC1(C)CCCC[C@@H]1NC(=O)c1cc[nH+]c(NN)c1 ZINC000094332665 184782424 /nfs/dbraw/zinc/78/24/24/184782424.db2.gz CFZUKZIRJDHJFM-NSHDSACASA-N 1 0 262.357 2.066 10 0 CEAERO CC(C)Oc1cccc(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000094339674 184783893 /nfs/dbraw/zinc/78/38/93/184783893.db2.gz WTBCTBUMCWBEGI-SWLSCSKDSA-N 1 0 276.380 2.283 10 0 CEAERO Cc1cc(COc2c(F)cc(C[C@@H](C)[NH3+])cc2F)n(C)n1 ZINC000094350083 184787150 /nfs/dbraw/zinc/78/71/50/184787150.db2.gz DJZYHKBWBKTUHJ-SECBINFHSA-N 1 0 295.333 2.475 10 0 CEAERO C1C[NH2+]C[C@H](O[C@@H]2CCOC3(CCSCC3)C2)C1 ZINC000094380800 184791408 /nfs/dbraw/zinc/79/14/08/184791408.db2.gz LANIAVBJQXOCCU-CHWSQXEVSA-N 1 0 271.426 2.200 10 0 CEAERO [NH3+]C1(CO[C@H]2CCO[C@]3(CCOC3)C2)CCCCC1 ZINC000094381104 184791692 /nfs/dbraw/zinc/79/16/92/184791692.db2.gz OFIUTDAUBBJYEF-DZGCQCFKSA-N 1 0 269.385 2.003 10 0 CEAERO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCOC3(CCC3)C2)C1 ZINC000094410488 184794288 /nfs/dbraw/zinc/79/42/88/184794288.db2.gz NXQZOHHJNXZUML-ZIAGYGMSSA-N 1 0 281.396 2.363 10 0 CEAERO CC(C)(C)[NH2+]Cc1cn([C@H]2CCOC3(CCC3)C2)nn1 ZINC000094419111 184794859 /nfs/dbraw/zinc/79/48/59/184794859.db2.gz CENPDEDEIABQTP-ZDUSSCGKSA-N 1 0 278.400 2.440 10 0 CEAERO CCCOc1ncnc(N[C@@H](CC(C)C)C[NH+](C)C)c1N ZINC000094734047 184848984 /nfs/dbraw/zinc/84/89/84/184848984.db2.gz OVDCPPALXKSFPY-LBPRGKRZSA-N 1 0 295.431 2.236 10 0 CEAERO C[NH2+][C@H](Cc1c(Cl)c(C)nn1C)[C@]1(C)CCCO1 ZINC000094783401 184862712 /nfs/dbraw/zinc/86/27/12/184862712.db2.gz GMWOOBMMSJPULJ-YPMHNXCESA-N 1 0 271.792 2.082 10 0 CEAERO CCOC(=O)[C@](C[N@@H+]1CCC(CC)(CC)C1)(NC)C1CC1 ZINC000094810092 184871804 /nfs/dbraw/zinc/87/18/04/184871804.db2.gz MXYHXQMDRPLQLC-QGZVFWFLSA-N 1 0 296.455 2.430 10 0 CEAERO C[C@H]([NH3+])Cc1c(N2CCC(C)(C)C2)nc2ccccn21 ZINC000094813398 184872236 /nfs/dbraw/zinc/87/22/36/184872236.db2.gz LFCIKCLEDYVWRP-LBPRGKRZSA-N 1 0 272.396 2.460 10 0 CEAERO CC[NH+](CC)[C@@H]1CCN(Cc2nc3cc(N)ccc3o2)C1 ZINC000094494918 184810076 /nfs/dbraw/zinc/81/00/76/184810076.db2.gz JLQRTYGQSRVARN-CYBMUJFWSA-N 1 0 288.395 2.326 10 0 CEAERO CCOc1ccc([C@@H]([NH3+])[C@@H]2CSCCO2)cc1 ZINC000094502271 184811209 /nfs/dbraw/zinc/81/12/09/184811209.db2.gz GMZJEQCPSFYGOE-QWHCGFSZSA-N 1 0 253.367 2.217 10 0 CEAERO C[NH2+][C@@H](Cc1ccc(OC)c(F)c1)[C@H]1CSCCO1 ZINC000094502772 184811310 /nfs/dbraw/zinc/81/13/10/184811310.db2.gz FZEXBCJRKSAZRR-GXTWGEPZSA-N 1 0 285.384 2.097 10 0 CEAERO CCOc1ccc([C@@H]([NH2+]C)[C@@H]2CSCCO2)cc1 ZINC000094502757 184811449 /nfs/dbraw/zinc/81/14/49/184811449.db2.gz MUSUWEXYDHIMHZ-UONOGXRCSA-N 1 0 267.394 2.478 10 0 CEAERO COc1ccc(CC[C@H]([NH3+])[C@@H]2CSCCO2)cc1 ZINC000094502488 184811607 /nfs/dbraw/zinc/81/16/07/184811607.db2.gz NFHBLVZRODGVCF-KBPBESRZSA-N 1 0 267.394 2.087 10 0 CEAERO Cc1ccn2nc(NC[C@@H]([NH3+])c3ccccc3)nc2c1 ZINC000094607838 184825493 /nfs/dbraw/zinc/82/54/93/184825493.db2.gz WXXKKXBDLALICL-CYBMUJFWSA-N 1 0 267.336 2.150 10 0 CEAERO CC[C@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000094647553 184832929 /nfs/dbraw/zinc/83/29/29/184832929.db2.gz QEILDZQHMCCTCL-XJFOESAGSA-N 1 0 252.402 2.460 10 0 CEAERO CC1CCC(CNC(=O)[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000094648386 184833826 /nfs/dbraw/zinc/83/38/26/184833826.db2.gz ZDKZUEXWTYBIJJ-GNRIBBGQSA-N 1 0 252.402 2.317 10 0 CEAERO C[C@H](NC(=O)[C@H]1CCC[NH2+][C@@H]1C)c1cccc(F)c1 ZINC000094647618 184834293 /nfs/dbraw/zinc/83/42/93/184834293.db2.gz GDQYBFMCRPEERC-WDMOLILDSA-N 1 0 264.344 2.391 10 0 CEAERO C[NH2+][C@H](C)CCc1ccc(O[C@H](C)[C@@H](C)O)cc1 ZINC000094652862 184835004 /nfs/dbraw/zinc/83/50/04/184835004.db2.gz AEVFLYXTELULJX-JHJVBQTASA-N 1 0 251.370 2.375 10 0 CEAERO CCn1nc(C)cc1C[C@@H](C)[C@H](C)[NH2+]CCOC ZINC000094656213 184835751 /nfs/dbraw/zinc/83/57/51/184835751.db2.gz ICNUFELIQYVCKD-YPMHNXCESA-N 1 0 253.390 2.015 10 0 CEAERO Cc1ncccc1Oc1nc2c(cc1C(N)=[NH2+])CCC2 ZINC000094673232 184837616 /nfs/dbraw/zinc/83/76/16/184837616.db2.gz IITPZQOHMHFNGT-UHFFFAOYSA-N 1 0 268.320 2.350 10 0 CEAERO COCC[NH2+]C[C@H](Cc1cccc(O)c1)C(C)C ZINC000094688470 184839488 /nfs/dbraw/zinc/83/94/88/184839488.db2.gz YLOUFWPEMIFGPR-AWEZNQCLSA-N 1 0 251.370 2.443 10 0 CEAERO CC(C)C[C@@H](C[NH3+])C(=O)Nc1cccc(-c2nnco2)c1 ZINC000094699501 184842178 /nfs/dbraw/zinc/84/21/78/184842178.db2.gz CPNRQYAAWYIPQN-LBPRGKRZSA-N 1 0 288.351 2.296 10 0 CEAERO Cc1ccccc1OCCN(C)C(=O)[C@@H](C[NH3+])CC(C)C ZINC000094698402 184842866 /nfs/dbraw/zinc/84/28/66/184842866.db2.gz DKTYGZNGNMXCMT-OAHLLOKOSA-N 1 0 292.423 2.453 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@H]1Nc1ccc2nccnc2n1 ZINC000094726387 184847088 /nfs/dbraw/zinc/84/70/88/184847088.db2.gz BQJCPHWBPZTJAG-GHMZBOCLSA-N 1 0 257.341 2.097 10 0 CEAERO CC(C)(C)[NH2+]Cc1ccn(Cc2nccs2)n1 ZINC000094978879 184910216 /nfs/dbraw/zinc/91/02/16/184910216.db2.gz KUTIAMCDMZYALV-UHFFFAOYSA-N 1 0 250.371 2.276 10 0 CEAERO CCOCCCC(=O)Nc1ccccc1[C@H](C)[NH3+] ZINC000095035440 184920678 /nfs/dbraw/zinc/92/06/78/184920678.db2.gz RDAZXLBMFJLRTI-NSHDSACASA-N 1 0 250.342 2.462 10 0 CEAERO CC(C)CN(C(=O)c1ccc(NN)[nH+]c1)C1CCCC1 ZINC000094851635 184881110 /nfs/dbraw/zinc/88/11/10/184881110.db2.gz RQSASESKXCBBSA-UHFFFAOYSA-N 1 0 276.384 2.408 10 0 CEAERO c1nc2c(c(N3CCC[C@@H]3[C@@H]3CCC[NH2+]3)n1)CCCC2 ZINC000094872453 184885111 /nfs/dbraw/zinc/88/51/11/184885111.db2.gz FYAHGSWUBDNXEB-LSDHHAIUSA-N 1 0 272.396 2.076 10 0 CEAERO CCC[NH2+][C@H]1CCOC[C@@H]1N(CC)Cc1ccccn1 ZINC000094913020 184891850 /nfs/dbraw/zinc/89/18/50/184891850.db2.gz HFYYFUQUVNQIHL-HOTGVXAUSA-N 1 0 277.412 2.061 10 0 CEAERO CCC[NH2+][C@H]1CCCc2nc(-c3ncc[nH]3)ncc21 ZINC000094939434 184897413 /nfs/dbraw/zinc/89/74/13/184897413.db2.gz BGDTYUICBDZBTI-NSHDSACASA-N 1 0 257.341 2.244 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)N[C@H](C)c1ccc(C)c(F)c1 ZINC000094956363 184903431 /nfs/dbraw/zinc/90/34/31/184903431.db2.gz JRFJQPWCCNMREI-MNOVXSKESA-N 1 0 252.333 2.296 10 0 CEAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)c1ccc2c(c1)CCC2 ZINC000282121057 195511191 /nfs/dbraw/zinc/51/11/91/195511191.db2.gz AUFFQLYOZLRMNK-MKBNYLNASA-N 1 0 272.392 2.493 10 0 CEAERO NC(=[NH2+])c1cccc(N2CC[C@@H]3CCCC[C@@H]3C2)n1 ZINC000081620605 134501324 /nfs/dbraw/zinc/50/13/24/134501324.db2.gz BCPIXLIURLNSKP-NWDGAFQWSA-N 1 0 258.369 2.382 10 0 CEAERO C[NH2+]C[C@@H]1CCCN(c2ncnc3c(C)csc32)C1 ZINC000222330127 134937966 /nfs/dbraw/zinc/93/79/66/134937966.db2.gz UIOKWLZQUJIRRX-NSHDSACASA-N 1 0 276.409 2.436 10 0 CEAERO COC[C@H](C)Oc1ccc(F)cc1N1CCC([NH3+])CC1 ZINC000070378404 134946471 /nfs/dbraw/zinc/94/64/71/134946471.db2.gz OIDUIRRTTOUXCP-NSHDSACASA-N 1 0 282.359 2.167 10 0 CEAERO CCC[NH2+]C[C@H]1CCCCN1c1cncc(OCC)n1 ZINC000071176886 134960030 /nfs/dbraw/zinc/96/00/30/134960030.db2.gz JOUFDNSOTNEXTK-CYBMUJFWSA-N 1 0 278.400 2.234 10 0 CEAERO CN(C)c1ccc(N2CCC[C@H]([NH2+]C3CC3)C2)cc1 ZINC000071199180 134961218 /nfs/dbraw/zinc/96/12/18/134961218.db2.gz NREWYIGPJSLWAE-AWEZNQCLSA-N 1 0 259.397 2.473 10 0 CEAERO C[NH2+][C@H]1CCN([C@@H](C)C(=O)NC(C)C)c2ccccc21 ZINC000071325580 134964067 /nfs/dbraw/zinc/96/40/67/134964067.db2.gz YOSYWCGBBUIJAA-JSGCOSHPSA-N 1 0 275.396 2.070 10 0 CEAERO COc1cc(N2CC[NH2+][C@H](C)C2)c(OC)cc1Cl ZINC000083517928 135026820 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135058226 /nfs/dbraw/zinc/05/82/26/135058226.db2.gz JSEOZJXTBBIRIG-OAHLLOKOSA-N 1 0 270.380 2.393 10 0 CEAERO C[C@@H](C[NH3+])CSCC(=O)N1CCCc2ccccc21 ZINC000090349564 135062938 /nfs/dbraw/zinc/06/29/38/135062938.db2.gz SYMDLEPCYXRGNF-LBPRGKRZSA-N 1 0 278.421 2.294 10 0 CEAERO CCOc1cc(N2CCC[C@@H](C[NH2+]C(C)C)C2)ncn1 ZINC000090784345 135064624 /nfs/dbraw/zinc/06/46/24/135064624.db2.gz KNDFWRUVAVQUEQ-ZDUSSCGKSA-N 1 0 278.400 2.090 10 0 CEAERO CCOc1cc(N2CCCC[C@H]2C[NH2+]C(C)C)ncn1 ZINC000090784616 135064630 /nfs/dbraw/zinc/06/46/30/135064630.db2.gz ZWBYERUURKGJOT-ZDUSSCGKSA-N 1 0 278.400 2.232 10 0 CEAERO CCOc1cc(N2CCC[C@@H](C[NH2+]CC(C)C)C2)ncn1 ZINC000090784632 135065153 /nfs/dbraw/zinc/06/51/53/135065153.db2.gz LZXZWMXVUUCUSM-AWEZNQCLSA-N 1 0 292.427 2.337 10 0 CEAERO [NH3+]Cc1cc2ccccc2nc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905341 135066018 /nfs/dbraw/zinc/06/60/18/135066018.db2.gz PXUSQANOSWRQIL-OKILXGFUSA-N 1 0 269.348 2.061 10 0 CEAERO c1ccc(N2C[C@H]3CC[C@@H](C2)O3)c(C[NH2+]C2CC2)c1 ZINC000090906716 135066029 /nfs/dbraw/zinc/06/60/29/135066029.db2.gz QTPYCAZAXPKQPS-GASCZTMLSA-N 1 0 258.365 2.306 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(c2ccc(C=O)cc2F)C1 ZINC000091392351 135068342 /nfs/dbraw/zinc/06/83/42/135068342.db2.gz GJENEPJSRJPZJK-GFCCVEGCSA-N 1 0 250.317 2.169 10 0 CEAERO C[C@@H]1c2ccsc2CCN1c1cncc(C[NH3+])n1 ZINC000091419863 135069326 /nfs/dbraw/zinc/06/93/26/135069326.db2.gz RUIWNFIPFDXUPS-SECBINFHSA-N 1 0 260.366 2.121 10 0 CEAERO COCC1CCN(c2cncc(C[NH2+]C(C)(C)C)n2)CC1 ZINC000091421817 135069373 /nfs/dbraw/zinc/06/93/73/135069373.db2.gz CZOSXDLSRHOIFS-UHFFFAOYSA-N 1 0 292.427 2.228 10 0 CEAERO CNc1cc[nH+]c(CN2c3ccccc3O[C@H](C)C2=O)c1 ZINC000092419654 135076081 /nfs/dbraw/zinc/07/60/81/135076081.db2.gz WLHYTHGWLUDKLE-LLVKDONJSA-N 1 0 283.331 2.437 10 0 CEAERO Nc1cc[nH+]c(CN2CCN(c3ccc(F)cc3)CC2)c1 ZINC000092418016 135076319 /nfs/dbraw/zinc/07/63/19/135076319.db2.gz LPUXMFFNWHYCRJ-UHFFFAOYSA-N 1 0 286.354 2.125 10 0 CEAERO C[C@H]1CN(c2cccc(F)c2C(N)=[NH2+])CC(C)(C)O1 ZINC000093408879 135080891 /nfs/dbraw/zinc/08/08/91/135080891.db2.gz QPEHTQOUIHICFJ-VIFPVBQESA-N 1 0 265.332 2.113 10 0 CEAERO Cc1cccc(N2CC[NH+]([C@@H]3CC[C@@H](O)C3)CC2)c1C ZINC000093798451 135082696 /nfs/dbraw/zinc/08/26/96/135082696.db2.gz FANYMYKBKNANFU-HZPDHXFCSA-N 1 0 274.408 2.339 10 0 CEAERO c1cc(N2CCCCC2)ncc1NCC1CC[NH2+]CC1 ZINC000094009849 135083079 /nfs/dbraw/zinc/08/30/79/135083079.db2.gz MATNXQGEUPXAQN-UHFFFAOYSA-N 1 0 274.412 2.483 10 0 CEAERO CC[C@@](C)([NH3+])C(=O)N1CCCc2cc(OC)ccc21 ZINC000094236804 135084298 /nfs/dbraw/zinc/08/42/98/135084298.db2.gz NZKSYLBRJVFISC-OAHLLOKOSA-N 1 0 262.353 2.102 10 0 CEAERO C[C@@H]1CN(Cc2cccc3c2OC(C)(C)C3)C[C@@H]1[NH3+] ZINC000235394337 394483610 /nfs/dbraw/zinc/48/36/10/394483610.db2.gz CBCOJUJDJIYSMS-RISCZKNCSA-N 1 0 260.381 2.179 10 0 CEAERO C[C@@H]1C[N@H+](C[C@H]2CCC[C@@H](C)C2)C[C@H]1N1CCOCC1 ZINC000245541829 394501285 /nfs/dbraw/zinc/50/12/85/394501285.db2.gz QTNHFSAOPZNQDT-WCXIOVBPSA-N 1 0 280.456 2.465 10 0 CEAERO CC[C@@H](C(N)=O)[N@@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000246447490 394516198 /nfs/dbraw/zinc/51/61/98/394516198.db2.gz DQUZFSMPZDIRLJ-KBPBESRZSA-N 1 0 292.354 2.127 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CCC(=O)OC(C)(C)C ZINC000245973779 394507484 /nfs/dbraw/zinc/50/74/84/394507484.db2.gz FYEUGNKUCUAPSL-KBPBESRZSA-N 1 0 282.428 2.277 10 0 CEAERO C[C@H](O)C[N@@H+]1CCN(Cc2ccccc2Cl)C[C@H]1C ZINC000247737071 394535079 /nfs/dbraw/zinc/53/50/79/394535079.db2.gz MXPOFHOIRXIEET-OLZOCXBDSA-N 1 0 282.815 2.227 10 0 CEAERO FC(F)(F)c1cnc(O[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000051868406 394555764 /nfs/dbraw/zinc/55/57/64/394555764.db2.gz MYTGJJYAPLBTTJ-SSDOTTSWSA-N 1 0 266.650 2.495 10 0 CEAERO Brc1cncc(NC[C@H]2CCC[NH2+]C2)c1 ZINC000261532182 394601651 /nfs/dbraw/zinc/60/16/51/394601651.db2.gz JNOJNSMAZQNKNL-VIFPVBQESA-N 1 0 270.174 2.256 10 0 CEAERO C[C@H]1CN(c2ncc(Br)cc2Cl)C[C@H]1[NH3+] ZINC000261531909 394601685 /nfs/dbraw/zinc/60/16/85/394601685.db2.gz IIHHLNPDBKOEBH-IMTBSYHQSA-N 1 0 290.592 2.281 10 0 CEAERO C[NH2+][C@H]1CCCN(c2cncc(Br)c2)C1 ZINC000261530923 394601804 /nfs/dbraw/zinc/60/18/04/394601804.db2.gz DNDXBGNXRWREMG-JTQLQIEISA-N 1 0 270.174 2.032 10 0 CEAERO Cc1nc(N2CC[C@]3(CC[NH2+]C3)C2)ccc1Br ZINC000261547460 394602092 /nfs/dbraw/zinc/60/20/92/394602092.db2.gz IDBICCDAIKBCSU-ZDUSSCGKSA-N 1 0 296.212 2.342 10 0 CEAERO CC[C@](C)(O)C[N@H+](C)CCOc1cccc(C)c1 ZINC000123236399 394824721 /nfs/dbraw/zinc/82/47/21/394824721.db2.gz UKIBGOYQUICDQK-HNNXBMFYSA-N 1 0 251.370 2.467 10 0 CEAERO C[C@H]1CC(CC[N@@H+]2CCN3C(=O)NC[C@@H]3C2)C[C@H](C)C1 ZINC000152143554 394988963 /nfs/dbraw/zinc/98/89/63/394988963.db2.gz JVYUKUAZSOHGQR-UMVBOHGHSA-N 1 0 279.428 2.158 10 0 CEAERO CCCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158880321 395056297 /nfs/dbraw/zinc/05/62/97/395056297.db2.gz LNVFTXXNDBAEGS-BFHYXJOUSA-N 1 0 270.417 2.037 10 0 CEAERO CCC[C@H](C(=O)N1CC[C@@H](Nc2ccccc2)C1)[NH+](C)C ZINC000161985781 395068164 /nfs/dbraw/zinc/06/81/64/395068164.db2.gz QZADQSGZSTTZTJ-HZPDHXFCSA-N 1 0 289.423 2.430 10 0 CEAERO C[C@@H]1CN(C(=O)CCSc2ccc(F)cc2)C[C@H]1[NH3+] ZINC000423940110 395031515 /nfs/dbraw/zinc/03/15/15/395031515.db2.gz BNYVEXPLBGKBAQ-ZWNOBZJWSA-N 1 0 282.384 2.114 10 0 CEAERO C[NH+](C)CCCNC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000158222642 395040721 /nfs/dbraw/zinc/04/07/21/395040721.db2.gz NTSYXFRBHUKXRU-ZIAGYGMSSA-N 1 0 252.402 2.271 10 0 CEAERO COC[C@H](C)[N@@H+]1CC[C@H](CNc2cccc(C)n2)C1 ZINC000173780160 395115717 /nfs/dbraw/zinc/11/57/17/395115717.db2.gz ZHBULTBXOIHZPV-UONOGXRCSA-N 1 0 263.385 2.159 10 0 CEAERO COCC1([NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000494419015 395112508 /nfs/dbraw/zinc/11/25/08/395112508.db2.gz SAFAFSIRDZXRJZ-ZDUSSCGKSA-N 1 0 298.427 2.402 10 0 CEAERO C[C@H](c1ccccn1)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000177126010 395146337 /nfs/dbraw/zinc/14/63/37/395146337.db2.gz UYWPKQWYPSOSSJ-CQSZACIVSA-N 1 0 283.379 2.145 10 0 CEAERO CCCC[C@H](COC)NC(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000177526463 395151568 /nfs/dbraw/zinc/15/15/68/395151568.db2.gz YIRUTFDWPBIICS-HUUCEWRRSA-N 1 0 299.459 2.317 10 0 CEAERO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000399181759 395241902 /nfs/dbraw/zinc/24/19/02/395241902.db2.gz DBWHMSFQEPDIQG-XJKSGUPXSA-N 1 0 271.364 2.218 10 0 CEAERO O[C@@H]1CCCC[C@H]1[C@H]1CCC[N@@H+]1CCC1(O)CCC1 ZINC000396784151 395218389 /nfs/dbraw/zinc/21/83/89/395218389.db2.gz LVLJLOXRSFUILE-RRFJBIMHSA-N 1 0 267.413 2.307 10 0 CEAERO COCC[N@H+](C)CCNC(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000183602089 395259475 /nfs/dbraw/zinc/25/94/75/395259475.db2.gz JVEZMRJUGRRVMG-UONOGXRCSA-N 1 0 284.444 2.143 10 0 CEAERO CCn1c(C)nnc1C[NH2+][C@@H]1C[C@@H](OC)C1(CC)CC ZINC000191381124 395357061 /nfs/dbraw/zinc/35/70/61/395357061.db2.gz GQVUWCMEBMUOSB-CHWSQXEVSA-N 1 0 280.416 2.290 10 0 CEAERO CCC[C@@]1(COC)CCC[N@@H+]1Cc1nnc(CC)n1C ZINC000194936708 395454060 /nfs/dbraw/zinc/45/40/60/395454060.db2.gz VQMUGENRAFDOFX-HNNXBMFYSA-N 1 0 280.416 2.159 10 0 CEAERO CCCCOC[C@@H](O)C[N@@H+]1CCCC[C@H](SC)C1 ZINC000195196399 395461328 /nfs/dbraw/zinc/46/13/28/395461328.db2.gz YIYPQAPWJUCUBV-KBPBESRZSA-N 1 0 275.458 2.382 10 0 CEAERO c1ccc2c(c1)CC[C@@H]([NH+]1CCC3(CC1)OCCO3)C2 ZINC000584615361 395665520 /nfs/dbraw/zinc/66/55/20/395665520.db2.gz ODUGSSAEVZLVAS-MRXNPFEDSA-N 1 0 273.376 2.383 10 0 CEAERO COCc1nc(C[NH2+]CCC[C@@H]2CCOC2)cs1 ZINC000648815993 395990795 /nfs/dbraw/zinc/99/07/95/395990795.db2.gz CFWIIEFMUIUGCV-LLVKDONJSA-N 1 0 270.398 2.196 10 0 CEAERO CC(C)OC1CCC(NC(=O)[C@@]2(C)CCCC[NH2+]2)CC1 ZINC000649375508 396133233 /nfs/dbraw/zinc/13/32/33/396133233.db2.gz DEHSTQWADDSXEG-ZBCRRDGASA-N 1 0 282.428 2.371 10 0 CEAERO CN1CCC[C@H]1C[NH2+][C@H](CCO)C1CCCCC1 ZINC000649577090 396196280 /nfs/dbraw/zinc/19/62/80/396196280.db2.gz XRGZXXDCBVHNJP-LSDHHAIUSA-N 1 0 254.418 2.002 10 0 CEAERO Cc1ccc(Cl)c(OCC(=O)N[C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000647017090 396404058 /nfs/dbraw/zinc/40/40/58/396404058.db2.gz RIWMLLSVMDWPBR-YPMHNXCESA-N 1 0 296.798 2.284 10 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1 0 285.428 2.365 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)C2(Cc3ccccc3F)CC2)C1 ZINC000188439382 153053731 /nfs/dbraw/zinc/05/37/31/153053731.db2.gz GXASBGCUMFYOCA-CQSZACIVSA-N 1 0 290.382 2.311 10 0 CEAERO O[C@H](CC1CCCC1)C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000190737470 153140808 /nfs/dbraw/zinc/14/08/08/153140808.db2.gz TWAMATJFPLWZNB-NVXWUHKLSA-N 1 0 290.407 2.476 10 0 CEAERO CC(C)[NH+](CCNC(=O)[C@H]1CCCO[C@H]1C)C(C)C ZINC000191297795 153168112 /nfs/dbraw/zinc/16/81/12/153168112.db2.gz KIGRZEXAJKEKGF-KBPBESRZSA-N 1 0 270.417 2.037 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)NCc2ccc(C3CC3)cc2)C1 ZINC000191608718 153179327 /nfs/dbraw/zinc/17/93/27/153179327.db2.gz MZEKLACXSRNDSH-INIZCTEOSA-N 1 0 287.407 2.410 10 0 CEAERO CC(C)C[C@@]1(CO)CCC[N@@H+]1C[C@H](O)COC(C)(C)C ZINC000191659715 153183978 /nfs/dbraw/zinc/18/39/78/153183978.db2.gz FUURODIQIJWKGH-GOEBONIOSA-N 1 0 287.444 2.035 10 0 CEAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCO[C@@H]1CCCCO1 ZINC000193062898 153227225 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ZINC000178632932 165250932 /nfs/dbraw/zinc/25/09/32/165250932.db2.gz BEFBYFHZKBRWCM-MNOVXSKESA-N 1 0 282.409 2.029 10 0 CEAERO C[C@H]([NH3+])CCNC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000178646604 165253613 /nfs/dbraw/zinc/25/36/13/165253613.db2.gz UUCXMLVSKXYGOV-ZWKOPEQDSA-N 1 0 266.772 2.297 10 0 CEAERO CC(C)CSCCCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000178957114 165264265 /nfs/dbraw/zinc/26/42/65/165264265.db2.gz AHXGYOSUIUXOEG-AWEZNQCLSA-N 1 0 299.484 2.255 10 0 CEAERO O=C(Nc1ccc2c(c1)COC2)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179413973 165278535 /nfs/dbraw/zinc/27/85/35/165278535.db2.gz QSPOCRGDAFLNIX-OAHLLOKOSA-N 1 0 287.363 2.029 10 0 CEAERO CC[C@H]1CN(Cc2cnn(C(C)C)c2)CC[N@@H+]1CCOC ZINC000179512664 165284697 /nfs/dbraw/zinc/28/46/97/165284697.db2.gz ZRJNGVXEMOLJGX-INIZCTEOSA-N 1 0 294.443 2.007 10 0 CEAERO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182347476 165368805 /nfs/dbraw/zinc/36/88/05/165368805.db2.gz VBHRACCHPMEUOO-IACUBPJLSA-N 1 0 292.427 2.248 10 0 CEAERO CCn1c(C)nnc1C[NH2+][C@H](C)[C@@H]1COc2ccccc21 ZINC000185575691 165461460 /nfs/dbraw/zinc/46/14/60/165461460.db2.gz LLRNFLWYFXCKHH-RISCZKNCSA-N 1 0 286.379 2.261 10 0 CEAERO CN(C)c1ccc(NC(=O)C[NH+]2CCCCC2)cc1 ZINC000005022679 170057012 /nfs/dbraw/zinc/05/70/12/170057012.db2.gz RMUXVPNZXHCHBC-UHFFFAOYSA-N 1 0 261.369 2.177 10 0 CEAERO CC(C)Cc1ccc([C@@H](C)C(=O)N2CC[NH2+]CC2)cc1 ZINC000005384340 170092967 /nfs/dbraw/zinc/09/29/67/170092967.db2.gz VZBLBQBGJBTMHP-CQSZACIVSA-N 1 0 274.408 2.420 10 0 CEAERO C[C@@H]1CC(O)C[C@@H](C)[NH+]1CCN(C)Cc1ccc(F)cc1 ZINC000191194496 287230137 /nfs/dbraw/zinc/23/01/37/287230137.db2.gz YSLZATFQDPVZDN-ZIAGYGMSSA-N 1 0 294.414 2.491 10 0 CEAERO Cc1cc(N)n(-c2nc3ccccc3n2CCC[NH+](C)C)n1 ZINC000008409866 170335148 /nfs/dbraw/zinc/33/51/48/170335148.db2.gz WSLVFCCGUAPWRO-UHFFFAOYSA-N 1 0 298.394 2.064 10 0 CEAERO C[NH+](C)CC(C)(C)CNC(=O)c1cc(Cl)ccc1N ZINC000019270351 170766888 /nfs/dbraw/zinc/76/68/88/170766888.db2.gz HGKZWIJSBOVTGN-UHFFFAOYSA-N 1 0 283.803 2.240 10 0 CEAERO CC[C@H]([NH3+])c1ccccc1OCC(=O)NCC1CC1 ZINC000019397336 170783331 /nfs/dbraw/zinc/78/33/31/170783331.db2.gz OCDVYTHIEQEEQJ-ZDUSSCGKSA-N 1 0 262.353 2.001 10 0 CEAERO CCc1cccc(CC)c1NS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000019515391 170822385 /nfs/dbraw/zinc/82/23/85/170822385.db2.gz FFAWUTGNSOIKIO-AWEZNQCLSA-N 1 0 296.436 2.305 10 0 CEAERO CC[C@@H]([NH3+])c1ccc(O[C@@H]2CCCCNC2=O)cc1 ZINC000019813289 170879817 /nfs/dbraw/zinc/87/98/17/170879817.db2.gz XSAKAVITYSZZLC-ZIAGYGMSSA-N 1 0 262.353 2.144 10 0 CEAERO [NH3+][C@H](Cc1ccccc1F)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000019842685 170890431 /nfs/dbraw/zinc/89/04/31/170890431.db2.gz VGMSWAMAUXSGLK-GFCCVEGCSA-N 1 0 271.295 2.238 10 0 CEAERO COc1ccc(CC[NH2+]C[C@@H]2CCCO2)cc1OC ZINC000020040380 170975572 /nfs/dbraw/zinc/97/55/72/170975572.db2.gz WHCBRSPDTTYUIW-ZDUSSCGKSA-N 1 0 265.353 2.015 10 0 CEAERO COc1cc([C@H](C)[NH2+]CCN2CCCC2)ccc1O ZINC000020126910 171011838 /nfs/dbraw/zinc/01/18/38/171011838.db2.gz DYMRJPFYVKLQID-LBPRGKRZSA-N 1 0 264.369 2.147 10 0 CEAERO C[C@@H]([NH2+]CCC(=O)N1CCCC1)c1ccc(F)cc1 ZINC000020127228 171012018 /nfs/dbraw/zinc/01/20/18/171012018.db2.gz IGANAFATPIIWCB-GFCCVEGCSA-N 1 0 264.344 2.489 10 0 CEAERO CCCC(=O)N(CCC[NH3+])c1cccc(OC)c1 ZINC000020233628 171095394 /nfs/dbraw/zinc/09/53/94/171095394.db2.gz NDFSLLRGEDBUKI-UHFFFAOYSA-N 1 0 250.342 2.177 10 0 CEAERO CN(Cc1cccc(F)c1)c1ccc(C(N)=[NH2+])cn1 ZINC000020266739 171123283 /nfs/dbraw/zinc/12/32/83/171123283.db2.gz LLFSVOKEDUAFTI-UHFFFAOYSA-N 1 0 258.300 2.141 10 0 CEAERO COC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CCC[NH2+]C2)c1 ZINC000020269827 171125752 /nfs/dbraw/zinc/12/57/52/171125752.db2.gz NWGZILYVXJVCQS-SNVBAGLBSA-N 1 0 296.754 2.065 10 0 CEAERO CCc1ccccc1OC[C@@H](C[NH3+])N1CCCCC1 ZINC000020400803 171181341 /nfs/dbraw/zinc/18/13/41/171181341.db2.gz KFCHZYAEJNPTDN-OAHLLOKOSA-N 1 0 262.397 2.441 10 0 CEAERO CCCCOCCO[C@H]1COc2ccccc2[C@H]1[NH3+] ZINC000020509985 171230234 /nfs/dbraw/zinc/23/02/34/171230234.db2.gz KGZYTRPVENAREO-LSDHHAIUSA-N 1 0 265.353 2.281 10 0 CEAERO CCOC(=O)[C@H](C[NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC000020580146 171257112 /nfs/dbraw/zinc/25/71/12/171257112.db2.gz IFWNNPTXLPWLPB-JTQLQIEISA-N 1 0 275.270 2.386 10 0 CEAERO C[NH+](C)CC(C)(C)CN1C(=S)N=NC1C1CC1 ZINC000020588895 171260461 /nfs/dbraw/zinc/26/04/61/171260461.db2.gz BGHSEQHMRLYCFE-UHFFFAOYSA-N 1 0 254.403 2.032 10 0 CEAERO O=C(C[NH2+]C1CCCC1)Nc1ccc(Br)cn1 ZINC000021265161 171300509 /nfs/dbraw/zinc/30/05/09/171300509.db2.gz NYCLOZJWPXOACB-UHFFFAOYSA-N 1 0 298.184 2.315 10 0 CEAERO CCC[NH+](CCC)CC(=O)Nc1ccc(F)c(N)c1 ZINC000022151432 171358654 /nfs/dbraw/zinc/35/86/54/171358654.db2.gz KPHYXJBPBCAARF-UHFFFAOYSA-N 1 0 267.348 2.468 10 0 CEAERO C[C@@H](C(=O)Nc1ccc(Cl)c(N)c1)[NH+]1CCCC1 ZINC000022155439 171361800 /nfs/dbraw/zinc/36/18/00/171361800.db2.gz FJVFKHNPUHJAEF-VIFPVBQESA-N 1 0 267.760 2.345 10 0 CEAERO COc1ccc(N)cc1NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000022163073 171364707 /nfs/dbraw/zinc/36/47/07/171364707.db2.gz XZFUAMNFHBAVIM-LBPRGKRZSA-N 1 0 291.395 2.480 10 0 CEAERO COc1ccc(N)cc1NC(=O)CC[N@@H+]1CCC[C@H](C)C1 ZINC000022164586 171365198 /nfs/dbraw/zinc/36/51/98/171365198.db2.gz WKXQWZIVVXLOMU-LBPRGKRZSA-N 1 0 291.395 2.338 10 0 CEAERO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)Nc2ccccc2N)C1 ZINC000022170760 171367605 /nfs/dbraw/zinc/36/76/05/171367605.db2.gz GBCMHLGXXXFWQC-TXEJJXNPSA-N 1 0 261.369 2.185 10 0 CEAERO C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccccc1C[NH3+] ZINC000022171565 171368115 /nfs/dbraw/zinc/36/81/15/171368115.db2.gz ULZMUNYPWKCQTH-DGCLKSJQSA-N 1 0 282.409 2.002 10 0 CEAERO CCCCS(=O)(=O)Nc1ccccc1[C@H](C)[NH3+] ZINC000022211057 171373369 /nfs/dbraw/zinc/37/33/69/171373369.db2.gz NVMHXSLBIVMXHD-JTQLQIEISA-N 1 0 256.371 2.248 10 0 CEAERO [NH3+]C[C@@H](c1cccnc1)N1CCc2ccccc2C1 ZINC000022216049 171375761 /nfs/dbraw/zinc/37/57/61/171375761.db2.gz JHLCTKRJCCGYFE-INIZCTEOSA-N 1 0 253.349 2.140 10 0 CEAERO Cc1ccc(-c2nnc(CNCCC[NH+](C)C)o2)cc1 ZINC000030824497 171623980 /nfs/dbraw/zinc/62/39/80/171623980.db2.gz ZMINYJPSBTUPBH-UHFFFAOYSA-N 1 0 274.368 2.086 10 0 CEAERO CCC[NH2+]C[C@H](O)COc1c(C)cc(C)cc1C ZINC000032106935 171698684 /nfs/dbraw/zinc/69/86/84/171698684.db2.gz CJHMKTCMSBIKQK-AWEZNQCLSA-N 1 0 251.370 2.351 10 0 CEAERO CC(C)C[NH2+]C[C@@H](O)COc1cccc(Cl)c1 ZINC000032110455 171702379 /nfs/dbraw/zinc/70/23/79/171702379.db2.gz AQBFBVJGGOPKRL-GFCCVEGCSA-N 1 0 257.761 2.325 10 0 CEAERO CC(C)[NH2+]C[C@H](O)COc1ccc2c(c1)CCCC2 ZINC000032113134 171706406 /nfs/dbraw/zinc/70/64/06/171706406.db2.gz XUMDSIINXOURQF-HNNXBMFYSA-N 1 0 263.381 2.303 10 0 CEAERO O[C@@H](C[NH2+]C1CCCCC1)COCc1ccccc1 ZINC000033852096 171822461 /nfs/dbraw/zinc/82/24/61/171822461.db2.gz LCCMCZUJHRNSJL-INIZCTEOSA-N 1 0 263.381 2.486 10 0 CEAERO CCC[NH2+][C@H](C)c1ccc(OCCC(N)=O)cc1 ZINC000034819521 171872679 /nfs/dbraw/zinc/87/26/79/171872679.db2.gz XLUYWESKQSGVEO-LLVKDONJSA-N 1 0 250.342 2.001 10 0 CEAERO CCCNC(=O)[C@@H](C)[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000035010940 171927899 /nfs/dbraw/zinc/92/78/99/171927899.db2.gz JIHOADCANNHZJX-IBEXFIOLSA-N 1 0 264.413 2.315 10 0 CEAERO O=C(CC[NH2+]C1C2CC3CC(C2)CC1C3)N1CCCC1 ZINC000035162117 172022147 /nfs/dbraw/zinc/02/21/47/172022147.db2.gz JNFDDXRLIPRSPQ-UHFFFAOYSA-N 1 0 276.424 2.413 10 0 CEAERO C[C@@H]([NH2+]CC(=O)Nc1c(F)cccc1F)C1CC1 ZINC000035174497 172027842 /nfs/dbraw/zinc/02/78/42/172027842.db2.gz LWDMMYJXKVHMBJ-MRVPVSSYSA-N 1 0 254.280 2.291 10 0 CEAERO Cc1nc(-c2ccc(NC(=O)[C@H]3CCC[NH2+]3)cc2)co1 ZINC000035230219 172070903 /nfs/dbraw/zinc/07/09/03/172070903.db2.gz HCDCWJZZFFOTDV-CYBMUJFWSA-N 1 0 271.320 2.341 10 0 CEAERO [NH3+]Cc1cnc(-c2ccc(Br)cc2)nc1 ZINC000035323082 172125557 /nfs/dbraw/zinc/12/55/57/172125557.db2.gz UKUGBMCVJRXSHM-UHFFFAOYSA-N 1 0 264.126 2.365 10 0 CEAERO Cn1cc([C@H]([NH3+])c2ccc(Br)s2)cn1 ZINC000035381556 172164760 /nfs/dbraw/zinc/16/47/60/172164760.db2.gz WCZGBYITWLKNDD-VIFPVBQESA-N 1 0 272.171 2.292 10 0 CEAERO CC[NH2+][C@@H](c1cnn(C)c1)c1cncc(Br)c1 ZINC000035555652 172262112 /nfs/dbraw/zinc/26/21/12/172262112.db2.gz NMJAZFOUICZSCA-GFCCVEGCSA-N 1 0 295.184 2.277 10 0 CEAERO C[C@H]([NH2+]C1CCS(=O)(=O)CC1)c1ccc(F)cc1 ZINC000035652249 172328671 /nfs/dbraw/zinc/32/86/71/172328671.db2.gz JOHJFNJHKCFHQA-JTQLQIEISA-N 1 0 271.357 2.054 10 0 CEAERO C[C@H](NC(=O)Cc1ccccc1F)[C@H]1CCCC[NH2+]1 ZINC000035690544 172358622 /nfs/dbraw/zinc/35/86/22/172358622.db2.gz KTOVLWHCDPEYED-SMDDNHRTSA-N 1 0 264.344 2.015 10 0 CEAERO [NH3+]Cc1ccc(Sc2nc[nH]n2)cc1C(F)(F)F ZINC000035720037 172374865 /nfs/dbraw/zinc/37/48/65/172374865.db2.gz FPUXJXCCEFATHR-UHFFFAOYSA-N 1 0 274.271 2.433 10 0 CEAERO CCC[NH+]1CCC([C@@H](C)Nc2cnn(C)c2)CC1 ZINC000035737407 172390470 /nfs/dbraw/zinc/39/04/70/172390470.db2.gz NDLVXNRYGNBYSH-GFCCVEGCSA-N 1 0 250.390 2.343 10 0 CEAERO CC(C)N(CCC[NH3+])C(=O)c1cc(F)cc(F)c1 ZINC000036731326 172663045 /nfs/dbraw/zinc/66/30/45/172663045.db2.gz RCRMTZVEMGCYQI-UHFFFAOYSA-N 1 0 256.296 2.164 10 0 CEAERO COC(=O)c1cc(NC(=O)[C@H]2CCC[NH2+]C2)ccc1Cl ZINC000037005970 172865126 /nfs/dbraw/zinc/86/51/26/172865126.db2.gz LHIMBRDUSHGOTP-VIFPVBQESA-N 1 0 296.754 2.065 10 0 CEAERO CCC[C@@]1([NH2+]C[C@@H](O)COCc2ccccc2)CCOC1 ZINC000285585053 196334861 /nfs/dbraw/zinc/33/48/61/196334861.db2.gz OPGTUUZGBMITTC-IAGOWNOFSA-N 1 0 293.407 2.113 10 0 CEAERO C[C@H]1CCSCC[N@@H+]1C[C@@H](O)COCc1ccccc1 ZINC000285599607 196339585 /nfs/dbraw/zinc/33/95/85/196339585.db2.gz BVVGOQQOYCHKBB-GOEBONIOSA-N 1 0 295.448 2.392 10 0 CEAERO CCCCOCCC(=O)Nc1ccc(C[NH3+])cc1 ZINC000037093309 172947528 /nfs/dbraw/zinc/94/75/28/172947528.db2.gz APZWDWHJOKXVSV-UHFFFAOYSA-N 1 0 250.342 2.291 10 0 CEAERO Cc1ccsc1[C@H](C[NH3+])N(C)[C@@H]1CCSC1 ZINC000037174487 173008393 /nfs/dbraw/zinc/00/83/93/173008393.db2.gz VJJHUYQOCGCYRG-MNOVXSKESA-N 1 0 256.440 2.494 10 0 CEAERO C[N@H+](CCC(=O)Nc1ccccc1N)[C@@H]1CCSC1 ZINC000037174208 173008889 /nfs/dbraw/zinc/00/88/89/173008889.db2.gz UIVBTIGAESOSMP-LLVKDONJSA-N 1 0 279.409 2.035 10 0 CEAERO CNC(=O)C[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000037224723 173044564 /nfs/dbraw/zinc/04/45/64/173044564.db2.gz NCLSDUPANGLGEG-LBPRGKRZSA-N 1 0 264.369 2.118 10 0 CEAERO C[C@H](C[NH2+]CCc1ccc(Cl)cc1Cl)C(N)=O ZINC000037227272 173046931 /nfs/dbraw/zinc/04/69/31/173046931.db2.gz YHIIBIPXFCMMNA-MRVPVSSYSA-N 1 0 275.179 2.247 10 0 CEAERO COC(=O)c1ccccc1C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000037242272 173058429 /nfs/dbraw/zinc/05/84/29/173058429.db2.gz COBIOCBWSZMLED-RISCZKNCSA-N 1 0 263.337 2.130 10 0 CEAERO CNC(=O)C[NH2+][C@@H](Cc1cccs1)c1cccs1 ZINC000037254198 173065404 /nfs/dbraw/zinc/06/54/04/173065404.db2.gz SRBXINDDBKTLOK-NSHDSACASA-N 1 0 280.418 2.429 10 0 CEAERO COC1CCN([C@@H](C[NH3+])c2cccc(Cl)c2)CC1 ZINC000037265871 173074567 /nfs/dbraw/zinc/07/45/67/173074567.db2.gz RNQTWKBMACDQQT-AWEZNQCLSA-N 1 0 268.788 2.451 10 0 CEAERO Cc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2C)c(N)c1 ZINC000037272035 173083571 /nfs/dbraw/zinc/08/35/71/173083571.db2.gz VAWQHORVQJYFIE-LBPRGKRZSA-N 1 0 261.369 2.390 10 0 CEAERO Cc1cccc([C@@H]([NH3+])c2ccc3[nH]c(=O)oc3c2)c1 ZINC000037308709 173111769 /nfs/dbraw/zinc/11/17/69/173111769.db2.gz WHANAHKXJPEWNH-CQSZACIVSA-N 1 0 254.289 2.478 10 0 CEAERO CO[C@H]1C[NH2+][C@H](c2nc3ccccc3n2C2CC2)C1 ZINC000037323691 173124172 /nfs/dbraw/zinc/12/41/72/173124172.db2.gz YWKGLTGAOPARSE-YPMHNXCESA-N 1 0 257.337 2.421 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](c2nc3cc(Cl)ccc3n2C)C1 ZINC000037440317 173210170 /nfs/dbraw/zinc/21/01/70/173210170.db2.gz BNIWGQPZZFRNTG-ONGXEEELSA-N 1 0 265.744 2.276 10 0 CEAERO C[C@@H](O)[C@H]([NH3+])c1nc2cc(Cl)ccc2n1C1CC1 ZINC000037440806 173210483 /nfs/dbraw/zinc/21/04/83/173210483.db2.gz CJDGUUPKHUSMFN-KRTXAFLBSA-N 1 0 265.744 2.405 10 0 CEAERO C[C@H]([NH3+])Cc1nc2cc(Br)ccc2[nH]1 ZINC000037441165 173210837 /nfs/dbraw/zinc/21/08/37/173210837.db2.gz QAHHHWBJPWCGGC-LURJTMIESA-N 1 0 254.131 2.215 10 0 CEAERO C[C@H]([NH3+])Cc1nc2cc(Br)ccc2n1C ZINC000037441320 173211227 /nfs/dbraw/zinc/21/12/27/173211227.db2.gz QQHLEZUXFYVPDQ-ZETCQYMHSA-N 1 0 268.158 2.226 10 0 CEAERO CCn1c2c(cccc2Cl)nc1[C@H]([NH3+])[C@H](C)O ZINC000037443969 173211926 /nfs/dbraw/zinc/21/19/26/173211926.db2.gz RRTVQNSLBDXGST-OIBJUYFYSA-N 1 0 253.733 2.090 10 0 CEAERO [NH3+][C@@H](Cc1cccc(Br)c1)c1cnccn1 ZINC000037467120 173226933 /nfs/dbraw/zinc/22/69/33/173226933.db2.gz PEAQMGIWWQRZDQ-NSHDSACASA-N 1 0 278.153 2.482 10 0 CEAERO C[C@@H]([NH3+])CC(=O)N[C@H](C)c1ccccc1Br ZINC000037476522 173227854 /nfs/dbraw/zinc/22/78/54/173227854.db2.gz LMPBMJLXVBGJCG-RKDXNWHRSA-N 1 0 285.185 2.364 10 0 CEAERO C[NH2+][C@@H]1CCN(c2ccccc2Br)C1 ZINC000037483490 173228661 /nfs/dbraw/zinc/22/86/61/173228661.db2.gz SIABZAHJFNEAKP-SECBINFHSA-N 1 0 255.159 2.247 10 0 CEAERO CCCCCC[C@](C)(C[NH3+])N(CCOC)CCOC ZINC000037489491 173231808 /nfs/dbraw/zinc/23/18/08/173231808.db2.gz FLLLNBQVNCIPSV-OAHLLOKOSA-N 1 0 274.449 2.269 10 0 CEAERO CC(C)[C@H](C)N(C)C(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000037504736 173239866 /nfs/dbraw/zinc/23/98/66/173239866.db2.gz ZXCLKDBNYCUKIH-XDQVBPFNSA-N 1 0 252.402 2.410 10 0 CEAERO O=c1[nH]c2c(s1)C[N@H+](CCc1ccccc1)CC2 ZINC000037527545 173250999 /nfs/dbraw/zinc/25/09/99/173250999.db2.gz SBVOKFSPGQKUKJ-UHFFFAOYSA-N 1 0 260.362 2.450 10 0 CEAERO CC[C@H](C(=O)N(C)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000037540790 173262756 /nfs/dbraw/zinc/26/27/56/173262756.db2.gz LPKZSADETNGRPF-GJZGRUSLSA-N 1 0 260.381 2.391 10 0 CEAERO CCCN(C(=O)CCc1ccco1)[C@H]1CCC[NH2+]C1 ZINC000037541544 173263359 /nfs/dbraw/zinc/26/33/59/173263359.db2.gz OKENBHHYTNAIQT-ZDUSSCGKSA-N 1 0 264.369 2.203 10 0 CEAERO CN(C(=O)Nc1ccccc1F)[C@H]1CCC[NH2+]C1 ZINC000037541708 173263778 /nfs/dbraw/zinc/26/37/78/173263778.db2.gz MMARZLGQGKCMFP-JTQLQIEISA-N 1 0 251.305 2.041 10 0 CEAERO COC(=O)CCCOc1ccc(C)cc1[C@@H](C)[NH3+] ZINC000037710675 173631158 /nfs/dbraw/zinc/63/11/58/173631158.db2.gz HATCSZUBNRCJNI-LLVKDONJSA-N 1 0 251.326 2.347 10 0 CEAERO CCOc1cccc(C[C@@H](C)[NH3+])c1OCCOC ZINC000037728468 173647557 /nfs/dbraw/zinc/64/75/57/173647557.db2.gz XXXHRYNRCSRPTF-LLVKDONJSA-N 1 0 253.342 2.000 10 0 CEAERO CC[C@@H]([NH2+]C)c1ccc(OCCC(=O)N(C)C)cc1 ZINC000037897678 173825269 /nfs/dbraw/zinc/82/52/69/173825269.db2.gz VGXYPGGVEAINHE-CQSZACIVSA-N 1 0 264.369 2.214 10 0 CEAERO CC[C@@H]1CCCN1C(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000037914973 173849320 /nfs/dbraw/zinc/84/93/20/173849320.db2.gz SYOWVBIWMYFJTP-HUUCEWRRSA-N 1 0 258.365 2.102 10 0 CEAERO CCOC(=O)[C@@H](NCC[NH+](C)C)c1ccccc1Cl ZINC000037965190 173910283 /nfs/dbraw/zinc/91/02/83/173910283.db2.gz XLVKZDVPDMJGRW-ZDUSSCGKSA-N 1 0 284.787 2.095 10 0 CEAERO C[C@@H](CNc1ccnc(C(=O)N(C)C)c1)[NH+]1CCCCC1 ZINC000038029268 174019771 /nfs/dbraw/zinc/01/97/71/174019771.db2.gz KADTZQGVBSKMPP-ZDUSSCGKSA-N 1 0 290.411 2.070 10 0 CEAERO CCC[C@H](C)NC(=O)[C@@H](C)N(CC[NH3+])Cc1ccccc1 ZINC000038033205 174030582 /nfs/dbraw/zinc/03/05/82/174030582.db2.gz DZFQMNJKTKUJFT-LSDHHAIUSA-N 1 0 291.439 2.141 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1cc(Cl)ccc1O ZINC000038049215 174059867 /nfs/dbraw/zinc/05/98/67/174059867.db2.gz ZGURLHBPHUAZQU-MNOVXSKESA-N 1 0 268.744 2.045 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)c1ccccc1Br ZINC000038049281 174059955 /nfs/dbraw/zinc/05/99/55/174059955.db2.gz FXOQMBIUQXODBB-RYUDHWBXSA-N 1 0 297.196 2.449 10 0 CEAERO CC[C@H](C)[NH2+][C@@](CC)(C(N)=O)c1ccc(F)cc1 ZINC000038065511 174076311 /nfs/dbraw/zinc/07/63/11/174076311.db2.gz DCBUZVZBPJKZBY-IINYFYTJSA-N 1 0 252.333 2.304 10 0 CEAERO C[C@@H](Cc1ccco1)[NH2+]Cc1ccccc1C(N)=O ZINC000038093045 174106905 /nfs/dbraw/zinc/10/69/05/174106905.db2.gz AOEMVUULZHUCCF-NSHDSACASA-N 1 0 258.321 2.099 10 0 CEAERO C[C@H]1c2ccsc2CCN1C(=O)C1([NH3+])CCCC1 ZINC000038100934 174116321 /nfs/dbraw/zinc/11/63/21/174116321.db2.gz BNFNOGQLNNTKOZ-JTQLQIEISA-N 1 0 264.394 2.465 10 0 CEAERO OC[C@@H]([NH2+]C1CC1)c1ccccc1Br ZINC000038124319 174131101 /nfs/dbraw/zinc/13/11/01/174131101.db2.gz MNCKERZJAZKWKY-LLVKDONJSA-N 1 0 256.143 2.235 10 0 CEAERO OCCn1c2ccc(C(F)(F)F)cc2nc1[C@H]1CCC[NH2+]1 ZINC000040401156 174253277 /nfs/dbraw/zinc/25/32/77/174253277.db2.gz ANHHEERDOBOOGC-SNVBAGLBSA-N 1 0 299.296 2.472 10 0 CEAERO C[C@H](NC(=O)C[NH2+]C1CC1)c1ccc(Br)cc1 ZINC000040415377 174255690 /nfs/dbraw/zinc/25/56/90/174255690.db2.gz GNIICFZTXLSHDI-VIFPVBQESA-N 1 0 297.196 2.378 10 0 CEAERO CSCC[C@H]([NH3+])C(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000040467333 174275356 /nfs/dbraw/zinc/27/53/56/174275356.db2.gz YRQXMLNHKATVIY-SRVKXCTJSA-N 1 0 258.431 2.104 10 0 CEAERO CCCCN(CC(F)(F)F)C(=O)[C@@H]([NH3+])CCSC ZINC000040467781 174276485 /nfs/dbraw/zinc/27/64/85/174276485.db2.gz FDWRUANAGDZLHW-VIFPVBQESA-N 1 0 286.363 2.258 10 0 CEAERO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC2CC2)cc1OC ZINC000040491137 174292381 /nfs/dbraw/zinc/29/23/81/174292381.db2.gz JSPHCQIOYAQYIL-QWRGUYRKSA-N 1 0 292.379 2.022 10 0 CEAERO COc1ccc([C@H](C)NC(=O)CCCCC[NH3+])cc1OC ZINC000040491241 174292594 /nfs/dbraw/zinc/29/25/94/174292594.db2.gz KDOGJTYZBJFHNQ-LBPRGKRZSA-N 1 0 294.395 2.400 10 0 CEAERO CCCCOCC[NH2+][C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000040506849 174302181 /nfs/dbraw/zinc/30/21/81/174302181.db2.gz QKDXOUVUOCLJGT-CQSZACIVSA-N 1 0 297.420 2.311 10 0 CEAERO CC(C)C[C@H]([NH3+])C(=O)NCc1cc2c(s1)CCC2 ZINC000040627976 174356978 /nfs/dbraw/zinc/35/69/78/174356978.db2.gz RIAQNDQVCXIGML-LBPRGKRZSA-N 1 0 266.410 2.226 10 0 CEAERO COC(=O)[C@@H](C)C[NH2+]Cc1cc2c(s1)CCC2 ZINC000040627048 174357023 /nfs/dbraw/zinc/35/70/23/174357023.db2.gz KROBYIAXDJHGKZ-VIFPVBQESA-N 1 0 253.367 2.136 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](C(=O)N[C@@H](C)c2ccc(C(C)C)cc2)C1 ZINC000040633179 174359716 /nfs/dbraw/zinc/35/97/16/174359716.db2.gz SJZJNEUIJYWDBF-RCBQFDQVSA-N 1 0 290.407 2.364 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](c2nc(-c3cc(C)oc3C)c[nH]2)C1 ZINC000040637754 174361632 /nfs/dbraw/zinc/36/16/32/174361632.db2.gz OSLFCXGPCYYEFM-ZYHUDNBSSA-N 1 0 261.325 2.336 10 0 CEAERO C[C@@H]([NH2+]CCc1nccn1C)c1nc2ccccc2n1C ZINC000040638812 174362703 /nfs/dbraw/zinc/36/27/03/174362703.db2.gz VZLLUXKAVXASFE-GFCCVEGCSA-N 1 0 283.379 2.200 10 0 CEAERO C[C@@H]1CCC[C@](CNCC(=O)OC(C)(C)C)([NH+](C)C)C1 ZINC000040669300 174368207 /nfs/dbraw/zinc/36/82/07/174368207.db2.gz KAYYASSEEZPWSD-CJNGLKHVSA-N 1 0 284.444 2.428 10 0 CEAERO C[C@H]1CCC[C@@](CNCC(=O)NC2CCCC2)([NH+](C)C)C1 ZINC000040669816 174368485 /nfs/dbraw/zinc/36/84/85/174368485.db2.gz QZHXBRSTEQEAPT-WMLDXEAASA-N 1 0 295.471 2.145 10 0 CEAERO C=COCCC[NH2+][C@H]1CCN(CCc2ccccc2)C1 ZINC000040671305 174369812 /nfs/dbraw/zinc/36/98/12/174369812.db2.gz LMCQDJSVURKATI-KRWDZBQOSA-N 1 0 274.408 2.443 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCCN(C)C1)c1ccc2c(c1)CCO2 ZINC000040673090 174371502 /nfs/dbraw/zinc/37/15/02/174371502.db2.gz ICYQDFWEVCEBAT-IUODEOHRSA-N 1 0 260.381 2.366 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCN(C)C1)CCO2 ZINC000040673109 174371602 /nfs/dbraw/zinc/37/16/02/174371602.db2.gz BQUXFVVDDFAICP-SWLSCSKDSA-N 1 0 276.380 2.203 10 0 CEAERO CCOC1CC[NH+](Cc2cc3c(cc2N)OCCO3)CC1 ZINC000040678392 174374190 /nfs/dbraw/zinc/37/41/90/174374190.db2.gz JTUUMEYSWLQBJS-UHFFFAOYSA-N 1 0 292.379 2.041 10 0 CEAERO C[N@@H+]1CCC[C@H](Nc2ccc3cc(N)ccc3n2)C1 ZINC000040715786 174382719 /nfs/dbraw/zinc/38/27/19/174382719.db2.gz BFWWBUWBMFDCQQ-ZDUSSCGKSA-N 1 0 256.353 2.323 10 0 CEAERO c1ccc2c(c1)cnnc2NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746437 174391321 /nfs/dbraw/zinc/39/13/21/174391321.db2.gz PANLYOGSDDHUPY-FUNVUKJBSA-N 1 0 254.337 2.325 10 0 CEAERO COc1ccc(CCC(=O)N2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040749680 174394348 /nfs/dbraw/zinc/39/43/48/174394348.db2.gz CGPCRIPVJBTJHI-GOOCMWNKSA-N 1 0 288.391 2.109 10 0 CEAERO CN(C)Nc1[nH+]cnc(Oc2cccc3cccnc32)c1N ZINC000040752116 174395506 /nfs/dbraw/zinc/39/55/06/174395506.db2.gz FWMZDYQAQANNMU-UHFFFAOYSA-N 1 0 296.334 2.288 10 0 CEAERO c1cc(-c2ccc(C[NH2+]C[C@@H]3CCOC3)cc2)n[nH]1 ZINC000040768515 174398717 /nfs/dbraw/zinc/39/87/17/174398717.db2.gz WQLYBYCVQRWYMY-ZDUSSCGKSA-N 1 0 257.337 2.203 10 0 CEAERO Cc1nn(-c2ccc(Cl)nn2)c(C)c1C[NH2+]C1CC1 ZINC000040932406 174436141 /nfs/dbraw/zinc/43/61/41/174436141.db2.gz WZGCHIKMILPMAL-UHFFFAOYSA-N 1 0 277.759 2.185 10 0 CEAERO CC[C@@H](C)[C@H]([NH3+])C(=O)OCc1ccc(OC)cc1 ZINC000040954030 174438508 /nfs/dbraw/zinc/43/85/08/174438508.db2.gz WGUSAFMQFJCAOO-MFKMUULPSA-N 1 0 251.326 2.112 10 0 CEAERO COc1cccc(C[N@@H+]2C[C@@H](C)C[C@H](O)C2)c1F ZINC000401783620 414754259 /nfs/dbraw/zinc/75/42/59/414754259.db2.gz CGUUQWMBNAYIFK-JQWIXIFHSA-N 1 0 253.317 2.037 10 0 CEAERO CC(C)([NH3+])c1cn(Cc2ccccc2OC(F)F)nn1 ZINC000070118800 414765366 /nfs/dbraw/zinc/76/53/66/414765366.db2.gz DGJAYBUJNLHCCW-UHFFFAOYSA-N 1 0 282.294 2.122 10 0 CEAERO C[C@@H](NC(=O)CCC(C)(C)[NH3+])c1ccc2c(c1)OCCO2 ZINC000070087073 414765805 /nfs/dbraw/zinc/76/58/05/414765805.db2.gz OBHKPJFTQKMDCX-LLVKDONJSA-N 1 0 292.379 2.153 10 0 CEAERO CN(CCOc1ccc(C(N)=[NH2+])cc1)c1ccccc1 ZINC000041068637 174469498 /nfs/dbraw/zinc/46/94/98/174469498.db2.gz QXAGUCIGZLFNIY-UHFFFAOYSA-N 1 0 269.348 2.486 10 0 CEAERO CC(C)[C@H]([NH3+])Cc1nc(Cc2cccc(F)c2)no1 ZINC000104068771 414778777 /nfs/dbraw/zinc/77/87/77/414778777.db2.gz BPWVIACPDGZGIV-GFCCVEGCSA-N 1 0 263.316 2.325 10 0 CEAERO Fc1cccc(Cl)c1CN1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404276189 414779332 /nfs/dbraw/zinc/77/93/32/414779332.db2.gz RYNSSRZULIIXLR-UONOGXRCSA-N 1 0 284.762 2.042 10 0 CEAERO CC(C)[C@H]([NH3+])c1noc(-c2ccc(N(C)C)cc2)n1 ZINC000041123275 174488255 /nfs/dbraw/zinc/48/82/55/174488255.db2.gz SVBAFFFMYYDLOI-LBPRGKRZSA-N 1 0 260.341 2.458 10 0 CEAERO COc1cc(C[C@H]2CCC[NH2+]2)cc(OC)c1OC ZINC000041321016 174517630 /nfs/dbraw/zinc/51/76/30/174517630.db2.gz QPHGCORXEVDPBJ-LLVKDONJSA-N 1 0 251.326 2.007 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC(C)(C1CC1)C1CC1 ZINC000662916039 414801251 /nfs/dbraw/zinc/80/12/51/414801251.db2.gz SLNMDYUFLAQFMH-GWCFXTLKSA-N 1 0 250.386 2.069 10 0 CEAERO COc1ccc([C@@H]([NH3+])CS(=O)(=O)c2ccccc2)cc1 ZINC000041479487 174559965 /nfs/dbraw/zinc/55/99/65/174559965.db2.gz VPVODUMJKYQLRV-HNNXBMFYSA-N 1 0 291.372 2.169 10 0 CEAERO CN(C(=O)Cc1cccc(Cl)c1)[C@H](C[NH3+])C(F)(F)F ZINC000662979694 414816263 /nfs/dbraw/zinc/81/62/63/414816263.db2.gz XJJYMUWXNYKCAB-SNVBAGLBSA-N 1 0 294.704 2.231 10 0 CEAERO C[C@H]([NH3+])c1cccc(NC(=O)N2CCSCC2)c1 ZINC000041712135 174613678 /nfs/dbraw/zinc/61/36/78/174613678.db2.gz RORPDHNKFDKSGU-JTQLQIEISA-N 1 0 265.382 2.287 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]1)NC1CCC(C(F)(F)F)CC1 ZINC000042167777 174649475 /nfs/dbraw/zinc/64/94/75/174649475.db2.gz BMWNFMGOUGYQID-VQXHTEKXSA-N 1 0 278.318 2.366 10 0 CEAERO CCC[C@H](C)NC(=O)COc1ccc(C[NH3+])cc1Cl ZINC000042321641 174684955 /nfs/dbraw/zinc/68/49/55/174684955.db2.gz CKAMJWXDAMIQKI-JTQLQIEISA-N 1 0 284.787 2.482 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)c1cccs1 ZINC000653059995 414892098 /nfs/dbraw/zinc/89/20/98/414892098.db2.gz UUTBUQBWWNTJKP-IWSPIJDZSA-N 1 0 292.326 2.323 10 0 CEAERO CC1(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CCCC1 ZINC000653089034 414900780 /nfs/dbraw/zinc/90/07/80/414900780.db2.gz VPEKFVJCRZHVJZ-NXEZZACHSA-N 1 0 278.318 2.081 10 0 CEAERO C[NH2+]C[C@H](C)Nc1ncc(Br)cc1C ZINC000663279201 414903127 /nfs/dbraw/zinc/90/31/27/414903127.db2.gz PTZJKHPOWCDZQA-QMMMGPOBSA-N 1 0 258.163 2.172 10 0 CEAERO O[C@@H]1CC[C@H]2C[N@H+](Cc3ccc4c[nH]nc4c3)C[C@H]2C1 ZINC000660805924 414982556 /nfs/dbraw/zinc/98/25/56/414982556.db2.gz GTRRSSXVVZJPQD-RRFJBIMHSA-N 1 0 271.364 2.156 10 0 CEAERO CC1CCC(N(C)C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CC1 ZINC000653446013 414996610 /nfs/dbraw/zinc/99/66/10/414996610.db2.gz KEAWKVOLGLYRSD-KIDURHIOSA-N 1 0 292.345 2.421 10 0 CEAERO C[C@@H]1CC[C@@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)[C@@H](C)C1 ZINC000653446397 414997236 /nfs/dbraw/zinc/99/72/36/414997236.db2.gz CCONIENUZLNEDH-IYKVGLELSA-N 1 0 292.345 2.325 10 0 CEAERO CC[C@H](C)N(CCOC)[C@@H](CC[NH3+])C(F)(F)F ZINC000042562979 174798215 /nfs/dbraw/zinc/79/82/15/174798215.db2.gz HHKVFKMAZFHZMG-UWVGGRQHSA-N 1 0 256.312 2.013 10 0 CEAERO Cc1nnc(N(C)[C@@H]2CCCC[C@@H]2C)c(C(N)=[NH2+])c1C ZINC000042607920 174820586 /nfs/dbraw/zinc/82/05/86/174820586.db2.gz XBTJXDLBAGWSHJ-JOYOIKCWSA-N 1 0 275.400 2.392 10 0 CEAERO CC1=C[C@H](C)C[C@H](C[NH2+]C[C@H]2CC(=O)N(C)C2)C1 ZINC000657695450 415051010 /nfs/dbraw/zinc/05/10/10/415051010.db2.gz LZRSAPCIBPFKBF-FPMFFAJLSA-N 1 0 250.386 2.047 10 0 CEAERO CN1C[C@@H](C[NH2+]Cc2cccc(Br)c2)CC1=O ZINC000657694361 415051435 /nfs/dbraw/zinc/05/14/35/415051435.db2.gz LAJZPKCDEPZZTK-LLVKDONJSA-N 1 0 297.196 2.017 10 0 CEAERO [NH3+]C[C@]1(N(Cc2ccco2)C2CC2)CCSC1 ZINC000042692921 174841356 /nfs/dbraw/zinc/84/13/56/174841356.db2.gz SGXQKZYZESTUMB-CYBMUJFWSA-N 1 0 252.383 2.078 10 0 CEAERO CN(Cc1cscn1)[C@H](C[NH3+])Cc1ccccc1 ZINC000042864453 174894311 /nfs/dbraw/zinc/89/43/11/174894311.db2.gz SWPVLVDKWZNYPI-AWEZNQCLSA-N 1 0 261.394 2.145 10 0 CEAERO [NH3+]C[C@H](OC[C@H]1CCCCO1)c1ccc(F)cc1 ZINC000042916600 174916213 /nfs/dbraw/zinc/91/62/13/174916213.db2.gz MQDICVVDBLPZTF-KGLIPLIRSA-N 1 0 253.317 2.411 10 0 CEAERO COc1ccc([C@H](C[NH3+])OC[C@H]2CCCCO2)cc1 ZINC000042963166 174927890 /nfs/dbraw/zinc/92/78/90/174927890.db2.gz HERYOJIXRCNKLJ-CABCVRRESA-N 1 0 265.353 2.281 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1cccc(F)c1)N(C)CC(=O)NC(C)C ZINC000042973029 174936576 /nfs/dbraw/zinc/93/65/76/174936576.db2.gz MEVFWAVUTPLEPO-GOEBONIOSA-N 1 0 295.402 2.061 10 0 CEAERO C[C@H]([NH3+])[C@H](OC[C@@H]1CCOC1)c1cccc(F)c1 ZINC000042974303 174937734 /nfs/dbraw/zinc/93/77/34/174937734.db2.gz BOTUWENDILSZIE-WDMOLILDSA-N 1 0 253.317 2.267 10 0 CEAERO C[C@H]([NH3+])[C@H](c1cccc(Cl)c1)N1CCC[C@H](O)C1 ZINC000043014516 174941158 /nfs/dbraw/zinc/94/11/58/174941158.db2.gz NUVIQUYPVXKYCV-LEWSCRJBSA-N 1 0 268.788 2.185 10 0 CEAERO COc1cccc([C@H](C[NH3+])n2cc(Cl)cn2)c1 ZINC000043028887 174948288 /nfs/dbraw/zinc/94/82/88/174948288.db2.gz COPDJXPOPYGBGY-LBPRGKRZSA-N 1 0 251.717 2.093 10 0 CEAERO CCOC(=O)CS[C@H](c1cccc(OC)c1)[C@H](C)[NH3+] ZINC000043032822 174949191 /nfs/dbraw/zinc/94/91/91/174949191.db2.gz INGZZPWCIXMJHV-HZMBPMFUSA-N 1 0 283.393 2.380 10 0 CEAERO CCOC1CCC([NH2+]CCn2cc(C)cn2)CC1 ZINC000657910884 415122530 /nfs/dbraw/zinc/12/25/30/415122530.db2.gz RKLOZNLFLKBFFR-UHFFFAOYSA-N 1 0 251.374 2.129 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1cnn(C)c1)N(C)Cc1cccs1 ZINC000043127230 174978385 /nfs/dbraw/zinc/97/83/85/174978385.db2.gz ZIRSFRMKDFOKAB-ZWNOBZJWSA-N 1 0 264.398 2.002 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1cnn(C)c1)N(Cc1ccco1)C1CC1 ZINC000043232248 174985800 /nfs/dbraw/zinc/98/58/00/174985800.db2.gz NXZYZQJGWKNSKZ-HOTGVXAUSA-N 1 0 288.395 2.456 10 0 CEAERO CC[C@H]([NH3+])[C@H](Oc1ccccc1F)c1cnn(C)c1 ZINC000043233653 174986145 /nfs/dbraw/zinc/98/61/45/174986145.db2.gz NGSBORSRWBHKFR-GXTWGEPZSA-N 1 0 263.316 2.417 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Oc1ccccc1F)c1cnn(C)c1 ZINC000043233662 174986267 /nfs/dbraw/zinc/98/62/67/174986267.db2.gz NGSBORSRWBHKFR-OCCSQVGLSA-N 1 0 263.316 2.417 10 0 CEAERO Cn1cc([C@H](C[NH3+])Oc2ccc3c(c2)CCCC3)cn1 ZINC000043236778 174987603 /nfs/dbraw/zinc/98/76/03/174987603.db2.gz WADIQJRKGHHFER-INIZCTEOSA-N 1 0 271.364 2.378 10 0 CEAERO C[C@H]([NH3+])[C@@H](Oc1ccc(S(C)(=O)=O)cc1)C(C)(C)C ZINC000043297186 174998883 /nfs/dbraw/zinc/99/88/83/174998883.db2.gz QGTWALKLNXYNJR-GXFFZTMASA-N 1 0 285.409 2.231 10 0 CEAERO Cc1cccc([C@H](C[NH3+])N(C)C[C@@H]2CCCO2)c1C ZINC000043314846 175004491 /nfs/dbraw/zinc/00/44/91/175004491.db2.gz PELWDQNMOPPJGJ-HOCLYGCPSA-N 1 0 262.397 2.414 10 0 CEAERO CC[NH2+][C@@H](c1cccc(C)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000043315512 175004779 /nfs/dbraw/zinc/00/47/79/175004779.db2.gz ZMSFVFQARNCYJD-UKRRQHHQSA-N 1 0 281.421 2.389 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccco1)N1CCCSCC1 ZINC000043335653 175011282 /nfs/dbraw/zinc/01/12/82/175011282.db2.gz OKZKVGCLBMOMGF-WCQYABFASA-N 1 0 254.399 2.497 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccco1)N(CCO)C1CCCCC1 ZINC000043336136 175011788 /nfs/dbraw/zinc/01/17/88/175011788.db2.gz YLZOUAJOWMRTMO-IUODEOHRSA-N 1 0 266.385 2.295 10 0 CEAERO COCCN(CC(C)C)[C@@H](c1ccco1)[C@@H](C)[NH3+] ZINC000043335917 175012014 /nfs/dbraw/zinc/01/20/14/175012014.db2.gz ZIJRMXSBDMHVEZ-TZMCWYRMSA-N 1 0 254.374 2.272 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Oc1ccccc1C(N)=O)c1ccco1 ZINC000043337308 175012507 /nfs/dbraw/zinc/01/25/07/175012507.db2.gz GYBDHZBENRBISW-RISCZKNCSA-N 1 0 274.320 2.236 10 0 CEAERO C[C@H]([NH3+])[C@H](c1ccccn1)N(CCO)C1CCCCC1 ZINC000043340845 175014491 /nfs/dbraw/zinc/01/44/91/175014491.db2.gz KGILPGZHJAXIMN-XJKSGUPXSA-N 1 0 277.412 2.097 10 0 CEAERO CC[C@H]([NH3+])[C@H](Oc1ccc(C(N)=O)cc1)c1ccccn1 ZINC000043343228 175015680 /nfs/dbraw/zinc/01/56/80/175015680.db2.gz AUTPASMPTFYSSW-ZFWWWQNUSA-N 1 0 285.347 2.038 10 0 CEAERO CCOC(=O)CS[C@@H](c1ccccn1)[C@@H]([NH3+])CC ZINC000043345099 175016395 /nfs/dbraw/zinc/01/63/95/175016395.db2.gz JXJXFNRWHWHDGS-GXFFZTMASA-N 1 0 268.382 2.156 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1cccnc1)N(C)CCc1ccccn1 ZINC000043345941 175017114 /nfs/dbraw/zinc/01/71/14/175017114.db2.gz UHJZGJDDPJYASA-DLBZAZTESA-N 1 0 284.407 2.430 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1cccnc1)N(C)CCc1ccncc1 ZINC000043347088 175017855 /nfs/dbraw/zinc/01/78/55/175017855.db2.gz DQAZNCNYSCJMSX-IAGOWNOFSA-N 1 0 284.407 2.430 10 0 CEAERO CCN(CC(F)(F)F)[C@H](c1cccnc1)[C@@H](C)[NH3+] ZINC000043348582 175018623 /nfs/dbraw/zinc/01/86/23/175018623.db2.gz CIUHORLZZWSBPE-KOLCDFICSA-N 1 0 261.291 2.354 10 0 CEAERO Cc1ncsc1CCO[C@H](c1cccnc1)[C@H](C)[NH3+] ZINC000043350377 175019190 /nfs/dbraw/zinc/01/91/90/175019190.db2.gz KYLJGRYXACTHGN-HZMBPMFUSA-N 1 0 277.393 2.494 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccncc1)N(C)CCc1ccccn1 ZINC000043353158 175020311 /nfs/dbraw/zinc/02/03/11/175020311.db2.gz HWLJIHKWHHEPHG-DLBZAZTESA-N 1 0 284.407 2.430 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccncc1)N(C)Cc1cccnc1 ZINC000043353487 175020803 /nfs/dbraw/zinc/02/08/03/175020803.db2.gz CIRFVGMYHBDTFV-HZPDHXFCSA-N 1 0 270.380 2.387 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccncc1)N(C)Cc1ccncc1 ZINC000043353497 175020971 /nfs/dbraw/zinc/02/09/71/175020971.db2.gz ZQGLXKZKDWWZCZ-HZPDHXFCSA-N 1 0 270.380 2.387 10 0 CEAERO [NH3+]C[C@H](c1ccncc1)N(Cc1ccco1)C1CC1 ZINC000043354772 175022136 /nfs/dbraw/zinc/02/21/36/175022136.db2.gz NLIAYHQVPYQBQA-OAHLLOKOSA-N 1 0 257.337 2.339 10 0 CEAERO C[C@H]([NH3+])[C@H](c1ccncc1)N(CCO)C1CCCCC1 ZINC000043354613 175022652 /nfs/dbraw/zinc/02/26/52/175022652.db2.gz JKNUKXUQSPEBJU-XJKSGUPXSA-N 1 0 277.412 2.097 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1ccncc1)n1ccc(C(F)(F)F)n1 ZINC000043355038 175023127 /nfs/dbraw/zinc/02/31/27/175023127.db2.gz BDWZBLFHLTYBRP-KCJUWKMLSA-N 1 0 270.258 2.234 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)N1CCC(CO)CC1 ZINC000043364003 175024598 /nfs/dbraw/zinc/02/45/98/175024598.db2.gz OVSGGGHRCOUOKI-HIFRSBDPSA-N 1 0 266.385 2.071 10 0 CEAERO Cc1ccc([C@H]([C@@H](C)[NH3+])N2CCCC[C@@H]2CCO)o1 ZINC000043363835 175024824 /nfs/dbraw/zinc/02/48/24/175024824.db2.gz WSPQHPKCAJLBHX-NFAWXSAZSA-N 1 0 266.385 2.213 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)N(C)C[C@@H]1CCCO1 ZINC000043364764 175025276 /nfs/dbraw/zinc/02/52/76/175025276.db2.gz LJRPIMFFYYDANA-YDHLFZDLSA-N 1 0 266.385 2.477 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccc(C)o1)N(CCOC)C1CC1 ZINC000043364916 175025293 /nfs/dbraw/zinc/02/52/93/175025293.db2.gz MXMQOIVORUXKCU-DZGCQCFKSA-N 1 0 266.385 2.477 10 0 CEAERO Cc1ccc([C@H](C[NH3+])Oc2cccc(S(C)(=O)=O)c2)o1 ZINC000043366994 175027024 /nfs/dbraw/zinc/02/70/24/175027024.db2.gz KMKARXKRUZWPRS-AWEZNQCLSA-N 1 0 295.360 2.070 10 0 CEAERO Cc1ccc([C@H](Sc2n[nH]c(C)n2)[C@H](C)[NH3+])o1 ZINC000043367739 175027557 /nfs/dbraw/zinc/02/75/57/175027557.db2.gz ZOOWSYPNMNAIFD-OIBJUYFYSA-N 1 0 252.343 2.195 10 0 CEAERO CC[C@H]([NH3+])[C@@H](N(C)Cc1ccccn1)C(F)(F)F ZINC000043377328 175030119 /nfs/dbraw/zinc/03/01/19/175030119.db2.gz XZVHULMRGDYIAT-WDEREUQCSA-N 1 0 261.291 2.182 10 0 CEAERO CC[C@H]([NH3+])[C@@H](N1CCN(C(C)(C)C)CC1)C(F)(F)F ZINC000043378326 175030362 /nfs/dbraw/zinc/03/03/62/175030362.db2.gz LDJMGDXAMDFNEF-WDEREUQCSA-N 1 0 281.366 2.071 10 0 CEAERO CC[C@H]([NH3+])[C@H](N(CCOC)CC(C)C)C(F)(F)F ZINC000043378662 175030741 /nfs/dbraw/zinc/03/07/41/175030741.db2.gz HZQPGRWFXXLUBI-QWRGUYRKSA-N 1 0 270.339 2.259 10 0 CEAERO CCC(CC)N(CCO)[C@@H]([C@H]([NH3+])CC)C(F)(F)F ZINC000043378967 175030853 /nfs/dbraw/zinc/03/08/53/175030853.db2.gz BNQIXKCHVPJXAV-MNOVXSKESA-N 1 0 270.339 2.138 10 0 CEAERO [NH3+]CC1(CC(=O)OC[C@H]2CCCCO2)CCCCC1 ZINC000043413994 175037772 /nfs/dbraw/zinc/03/77/72/175037772.db2.gz FECXZGCJMNJIAO-CYBMUJFWSA-N 1 0 269.385 2.398 10 0 CEAERO C[NH2+]Cc1nc(-c2ccccc2Br)no1 ZINC000043560553 175066496 /nfs/dbraw/zinc/06/64/96/175066496.db2.gz QYIXTFLWYOQUCL-UHFFFAOYSA-N 1 0 268.114 2.219 10 0 CEAERO C[NH2+][C@@H](CN1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000043807983 175108942 /nfs/dbraw/zinc/10/89/42/175108942.db2.gz ITIUGCRVFUTTFI-ZDUSSCGKSA-N 1 0 288.313 2.298 10 0 CEAERO CCC[NH2+][C@@H](CN1CCOCC1)c1cc(C)ccc1OC ZINC000043808706 175108999 /nfs/dbraw/zinc/10/89/99/175108999.db2.gz NOBOUWBKJOHPAF-INIZCTEOSA-N 1 0 292.423 2.377 10 0 CEAERO CC[C@@H]1CC[C@H]([NH2+]C)[C@H](N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000043811302 175110311 /nfs/dbraw/zinc/11/03/11/175110311.db2.gz DQJLDFVESHTIGH-QKGCVVFFSA-N 1 0 254.418 2.262 10 0 CEAERO CCC[NH2+][C@H]1CCOC[C@H]1N(C)C1CCCCC1 ZINC000043815168 175111989 /nfs/dbraw/zinc/11/19/89/175111989.db2.gz AIBCGADYUOPFDG-LSDHHAIUSA-N 1 0 254.418 2.408 10 0 CEAERO C[NH2+][C@H]1CCOC[C@H]1N1CCC(Cc2ccccc2)CC1 ZINC000043819734 175113754 /nfs/dbraw/zinc/11/37/54/175113754.db2.gz FIVCQDKKCHYDND-ZWKOTPCHSA-N 1 0 288.435 2.318 10 0 CEAERO CC[NH2+][C@@H](CN(C)CC)c1cc(OC)ccc1OC ZINC000043820455 175114019 /nfs/dbraw/zinc/11/40/19/175114019.db2.gz DBELRMHPAPCLBQ-AWEZNQCLSA-N 1 0 266.385 2.306 10 0 CEAERO CC[NH2+][C@@H](CN(C)C1CC1)c1cc(OC)ccc1OC ZINC000043823166 175114851 /nfs/dbraw/zinc/11/48/51/175114851.db2.gz JUQIWXKVALNIMX-HNNXBMFYSA-N 1 0 278.396 2.449 10 0 CEAERO C[NH2+][C@H]1c2ccc(OC)cc2CC[C@@H]1N(C)C1CC1 ZINC000043822873 175114867 /nfs/dbraw/zinc/11/48/67/175114867.db2.gz QMVSNPZJYYBUIX-HOTGVXAUSA-N 1 0 260.381 2.365 10 0 CEAERO C[NH2+][C@H](CN1CCC(OC)CC1)c1ccccc1C ZINC000043889991 175117857 /nfs/dbraw/zinc/11/78/57/175117857.db2.gz FRDHZRDFAHFNRS-MRXNPFEDSA-N 1 0 262.397 2.366 10 0 CEAERO C[NH2+][C@@H](CN(C)Cc1ccncc1)c1ccccc1OC ZINC000043893821 175118679 /nfs/dbraw/zinc/11/86/79/175118679.db2.gz OZPBNNJSTUUXQO-INIZCTEOSA-N 1 0 285.391 2.483 10 0 CEAERO CCC[NH2+][C@H]1c2ccccc2OC[C@H]1N1CCOC[C@@H]1C ZINC000043891918 175118838 /nfs/dbraw/zinc/11/88/38/175118838.db2.gz GJDCCPWEKXLHBS-LXZKKBNFSA-N 1 0 290.407 2.209 10 0 CEAERO CCC[NH2+][C@H](CN1CCOC[C@@H]1C)c1cccc(OC)c1 ZINC000043891834 175118846 /nfs/dbraw/zinc/11/88/46/175118846.db2.gz LRGLKADHKMFGAC-WMLDXEAASA-N 1 0 292.423 2.457 10 0 CEAERO C[NH2+][C@H](c1ccccc1)[C@@H](C)N(C)C1CCOCC1 ZINC000043898111 175120990 /nfs/dbraw/zinc/12/09/90/175120990.db2.gz JMIFSMFZZDYMTH-CJNGLKHVSA-N 1 0 262.397 2.446 10 0 CEAERO CC[NH2+][C@@H]1CCCCC[C@H]1N(C)C1CCOCC1 ZINC000043898365 175121132 /nfs/dbraw/zinc/12/11/32/175121132.db2.gz UUXPHPIWQUKBNT-HUUCEWRRSA-N 1 0 254.418 2.408 10 0 CEAERO C[NH2+][C@@H](CN(C)CC(F)(F)F)c1ccc2c(c1)OCO2 ZINC000043900609 175122160 /nfs/dbraw/zinc/12/21/60/175122160.db2.gz KOPXQMVBTARHDK-JTQLQIEISA-N 1 0 290.285 2.170 10 0 CEAERO CC[NH2+][C@H]1CCOC[C@@H]1N(C)Cc1cccc(C)c1 ZINC000043909967 175123160 /nfs/dbraw/zinc/12/31/60/175123160.db2.gz ISBZSNDHZSWNKC-HOTGVXAUSA-N 1 0 262.397 2.194 10 0 CEAERO C[NH2+][C@H]1CCC2(C[C@@H]1N(CC(C)C)CC(C)C)OCCO2 ZINC000043909586 175123405 /nfs/dbraw/zinc/12/34/05/175123405.db2.gz PZZFYMURBOBVBG-HOTGVXAUSA-N 1 0 298.471 2.484 10 0 CEAERO CC[NH2+][C@@H]1CCC2(C[C@@H]1N(C)CCC(C)C)OCCO2 ZINC000043914912 175124510 /nfs/dbraw/zinc/12/45/10/175124510.db2.gz UTTXYVNSXDODAI-CABCVRRESA-N 1 0 284.444 2.238 10 0 CEAERO CC[NH2+][C@H](CN(C)C[C@@H]1CCCO1)c1ccc(OC)cc1 ZINC000043966095 175127438 /nfs/dbraw/zinc/12/74/38/175127438.db2.gz MXIRCVNBLAEJJB-DLBZAZTESA-N 1 0 292.423 2.457 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2OC[C@@H]1N(C)C[C@@H]1CCCO1 ZINC000043966160 175127457 /nfs/dbraw/zinc/12/74/57/175127457.db2.gz QPMMTRBJCOZGSE-JLJPHGGASA-N 1 0 290.407 2.209 10 0 CEAERO C[NH2+][C@@H]1CCCCC[C@@H]1N(C)C[C@@H]1CCCCO1 ZINC000043966363 175127958 /nfs/dbraw/zinc/12/79/58/175127958.db2.gz RKDHHLAGFRFJOX-ZNMIVQPWSA-N 1 0 254.418 2.408 10 0 CEAERO C[NH2+][C@H](CN(C)Cc1cnn(C)c1)c1cc(C)ccc1C ZINC000043967173 175128357 /nfs/dbraw/zinc/12/83/57/175128357.db2.gz YJAMXXDCKXEKAG-QGZVFWFLSA-N 1 0 286.423 2.429 10 0 CEAERO CCC[NH2+][C@@H]1CCOC[C@H]1N(CCC)CC1CC1 ZINC000043967501 175128498 /nfs/dbraw/zinc/12/84/98/175128498.db2.gz MAMUOBUECJCCQP-HUUCEWRRSA-N 1 0 254.418 2.266 10 0 CEAERO C[NH2+][C@H](c1ccccc1)[C@H](C)N(C)Cc1cnn(C)c1 ZINC000043967123 175128533 /nfs/dbraw/zinc/12/85/33/175128533.db2.gz HTUHXKOUTZWSFQ-BBRMVZONSA-N 1 0 272.396 2.201 10 0 CEAERO C[NH2+][C@H](CN(C)Cc1cnn(C)c1)c1ccccc1C ZINC000043967169 175128597 /nfs/dbraw/zinc/12/85/97/175128597.db2.gz XBXLEFLQCVBLBU-MRXNPFEDSA-N 1 0 272.396 2.121 10 0 CEAERO CC[NH2+][C@H](CN(CC)CCOC)c1ccccc1 ZINC000043968598 175129427 /nfs/dbraw/zinc/12/94/27/175129427.db2.gz POTUGKLCTWIHBZ-OAHLLOKOSA-N 1 0 250.386 2.306 10 0 CEAERO C[NH2+][C@@H](CN(CCOC)C1CC1)c1cc(C)ccc1OC ZINC000043969755 175131342 /nfs/dbraw/zinc/13/13/42/175131342.db2.gz DKAYYYGDEQHYMS-INIZCTEOSA-N 1 0 292.423 2.375 10 0 CEAERO C[NH2+][C@H](CN(CCCOC)CCOC)c1ccccc1C ZINC000043970907 175131808 /nfs/dbraw/zinc/13/18/08/175131808.db2.gz NZEHZRARZYWMCE-QGZVFWFLSA-N 1 0 294.439 2.240 10 0 CEAERO CCc1ccc([C@H](O)C[N@H+](C)C2CCN(C)CC2)cc1 ZINC000044121210 175142516 /nfs/dbraw/zinc/14/25/16/175142516.db2.gz FFCXBFPOALJKSZ-QGZVFWFLSA-N 1 0 276.424 2.308 10 0 CEAERO [NH3+]C[C@H]1CCCCN1CC(=O)Nc1ccc(Cl)cc1 ZINC000044557064 175202484 /nfs/dbraw/zinc/20/24/84/175202484.db2.gz UXMRJMLBWHRHEH-CYBMUJFWSA-N 1 0 281.787 2.092 10 0 CEAERO C[C@H](CN1CCCC1=O)[NH2+][C@H]1CCCc2cc(O)ccc21 ZINC000044747391 175243138 /nfs/dbraw/zinc/24/31/38/175243138.db2.gz IODGUQDFIYYSJM-WBMJQRKESA-N 1 0 288.391 2.370 10 0 CEAERO C[C@H](NC(=O)C1(C[NH3+])CCCCC1)c1ccco1 ZINC000044762699 175246814 /nfs/dbraw/zinc/24/68/14/175246814.db2.gz HTAOHGJDJRPUTG-NSHDSACASA-N 1 0 250.342 2.366 10 0 CEAERO CCCC1CCC(NC(=O)C2(C[NH3+])CCOCC2)CC1 ZINC000044763801 175247817 /nfs/dbraw/zinc/24/78/17/175247817.db2.gz QCDUCMJVAUOSLB-UHFFFAOYSA-N 1 0 282.428 2.217 10 0 CEAERO CCCN(CCC)C(=O)[C@H](C[NH3+])Cc1ccccc1 ZINC000044796530 175254477 /nfs/dbraw/zinc/25/44/77/175254477.db2.gz PHXYRAMEDBVAMV-HNNXBMFYSA-N 1 0 262.397 2.453 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)N1CCCC[C@H]1CCO ZINC000044795117 175254875 /nfs/dbraw/zinc/25/48/75/175254875.db2.gz ICNPPXGAMDHKBI-AWEZNQCLSA-N 1 0 284.444 2.295 10 0 CEAERO CCOc1ccc(NC(=O)[C@H](CC)C[NH3+])cc1OCC ZINC000044798654 175255178 /nfs/dbraw/zinc/25/51/78/175255178.db2.gz AHPHCKSFWRGULN-LLVKDONJSA-N 1 0 280.368 2.407 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)N(C)C[C@H]1CCCO1 ZINC000044804563 175256465 /nfs/dbraw/zinc/25/64/65/175256465.db2.gz OOIUSACIHKVUIY-CYBMUJFWSA-N 1 0 270.417 2.169 10 0 CEAERO Cc1cc(CNC(=O)Nc2cccc([C@@H](C)[NH3+])c2)on1 ZINC000045015757 175290879 /nfs/dbraw/zinc/29/08/79/175290879.db2.gz ODYAUNWHKIYNCG-SNVBAGLBSA-N 1 0 274.324 2.324 10 0 CEAERO C[N@H+](CC(=O)Nc1ccc(F)c(N)c1)CC(C)(C)C ZINC000045064588 175299619 /nfs/dbraw/zinc/29/96/19/175299619.db2.gz CYIHSYSMBVMFRV-UHFFFAOYSA-N 1 0 267.348 2.324 10 0 CEAERO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+]CCOCCC(C)C ZINC000045106866 175308398 /nfs/dbraw/zinc/30/83/98/175308398.db2.gz YDTMAUNRCXAEIY-UONOGXRCSA-N 1 0 272.433 2.332 10 0 CEAERO Cc1nn(C)c(C)c1[C@H](C)[NH2+][C@@H](C)CN1CCCC1 ZINC000045172380 175321643 /nfs/dbraw/zinc/32/16/43/175321643.db2.gz XRZSKUYQGWIJPJ-RYUDHWBXSA-N 1 0 264.417 2.172 10 0 CEAERO Cc1nn(C)c(C)c1[C@H](C)[NH2+]CC[C@@H]1CCCO1 ZINC000045172043 175321773 /nfs/dbraw/zinc/32/17/73/175321773.db2.gz ANLOCDRPFQOPMQ-GWCFXTLKSA-N 1 0 251.374 2.257 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)NC[C@H]1CCC[N@H+](C)C1 ZINC000045172733 175321933 /nfs/dbraw/zinc/32/19/33/175321933.db2.gz PYMBWAJMJHEGDQ-BXUZGUMPSA-N 1 0 264.417 2.029 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]C[C@@H]1CCCCN1C ZINC000045172745 175322397 /nfs/dbraw/zinc/32/23/97/175322397.db2.gz KQFJCLOTJVPMQS-RISCZKNCSA-N 1 0 264.417 2.172 10 0 CEAERO CCC[NH2+][C@](C)(CCN(CC)c1ccccc1C)C(N)=O ZINC000045223103 175331200 /nfs/dbraw/zinc/33/12/00/175331200.db2.gz AOWWRCYCPHZKLD-QGZVFWFLSA-N 1 0 291.439 2.455 10 0 CEAERO CCN[C@](C)(CC[NH+]1CCC(C)CC1)C(=O)OCC ZINC000045225549 175332999 /nfs/dbraw/zinc/33/29/99/175332999.db2.gz KPFPFADFSZTQSG-OAHLLOKOSA-N 1 0 270.417 2.040 10 0 CEAERO COC(=O)[C@](C)(CC[NH+]1C[C@H](C)C[C@@H](C)C1)NC1CC1 ZINC000045224738 175333008 /nfs/dbraw/zinc/33/30/08/175333008.db2.gz FJUJTANHCBYQPL-IOASZLSFSA-N 1 0 282.428 2.038 10 0 CEAERO CC(C)[NH2+][C@@](C)(CC[NH+]1CCCCCC1)C(=O)[O-] ZINC000045228844 175334079 /nfs/dbraw/zinc/33/40/79/175334079.db2.gz LRZGKQZBUNTULZ-AWEZNQCLSA-N 1 0 256.390 2.094 10 0 CEAERO CCC[NH2+][C@@](C)(CC[NH+](CCC)CCC)C(=O)[O-] ZINC000045230404 175334879 /nfs/dbraw/zinc/33/48/79/175334879.db2.gz AWSRTJDZJPTGPM-AWEZNQCLSA-N 1 0 258.406 2.341 10 0 CEAERO CCC[NH2+][C@@](C)(CC[N@H+](C)C1CCCCC1)C(=O)[O-] ZINC000045231223 175335052 /nfs/dbraw/zinc/33/50/52/175335052.db2.gz XBOFGZGFFJVNSY-HNNXBMFYSA-N 1 0 270.417 2.484 10 0 CEAERO CCC[NH+](CCC)CC[C@@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000045230420 175335291 /nfs/dbraw/zinc/33/52/91/175335291.db2.gz VPEQCYXMHKPYCN-CQSZACIVSA-N 1 0 256.390 2.094 10 0 CEAERO CCN[C@](C)(CC[N@H+](CC)CC(C)C)C(=O)OCC ZINC000045264210 175337474 /nfs/dbraw/zinc/33/74/74/175337474.db2.gz BAHMPHDDXIYBOJ-OAHLLOKOSA-N 1 0 272.433 2.286 10 0 CEAERO CCOC(=O)[C@](C[N@H+](C)[C@@H](C)CC)(NC)c1ccccc1 ZINC000045263779 175337905 /nfs/dbraw/zinc/33/79/05/175337905.db2.gz PWFHDENKVCRFRP-WMLDXEAASA-N 1 0 292.423 2.395 10 0 CEAERO CCCN[C@@](C[N@H+](C)CC)(C(=O)OC)c1ccccc1 ZINC000045264619 175338133 /nfs/dbraw/zinc/33/81/33/175338133.db2.gz BLKDHKGPNDMWGQ-MRXNPFEDSA-N 1 0 278.396 2.006 10 0 CEAERO CCC[N@H+](C)C[C@@](NC)(C(=O)OCC)c1ccccc1 ZINC000045264309 175338407 /nfs/dbraw/zinc/33/84/07/175338407.db2.gz IFDOBLVNXPFADK-INIZCTEOSA-N 1 0 278.396 2.006 10 0 CEAERO CCCN[C@@](C[N@H+](C)C1CC1)(C(=O)OC)c1ccccc1 ZINC000045265028 175338673 /nfs/dbraw/zinc/33/86/73/175338673.db2.gz HEEIKFOARYPQMU-QGZVFWFLSA-N 1 0 290.407 2.149 10 0 CEAERO CCC[N@H+](CC[C@](C)([NH2+]C(C)C)C(=O)[O-])C(C)C ZINC000045266874 175339401 /nfs/dbraw/zinc/33/94/01/175339401.db2.gz VAOONVSKIHTGNZ-AWEZNQCLSA-N 1 0 258.406 2.338 10 0 CEAERO CCC[N@H+](CC)C[C@@](NCC)(C(=O)OC)c1ccccc1 ZINC000045267457 175339564 /nfs/dbraw/zinc/33/95/64/175339564.db2.gz NLARNCIEAZCVJW-KRWDZBQOSA-N 1 0 292.423 2.396 10 0 CEAERO CCCN[C@@](C)(C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)OC ZINC000045272090 175343007 /nfs/dbraw/zinc/34/30/07/175343007.db2.gz OQASZOKORXBVHO-UXLLHSPISA-N 1 0 296.455 2.430 10 0 CEAERO CN[C@](C)(CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)OC ZINC000045272144 175343233 /nfs/dbraw/zinc/34/32/33/175343233.db2.gz KTEVEZDYKLQNSC-SQWLQELKSA-N 1 0 282.428 2.040 10 0 CEAERO CCN[C@@](C)(CC[N@H+](C)[C@@H](C)C(C)(C)C)C(=O)OC ZINC000045274816 175345117 /nfs/dbraw/zinc/34/51/17/175345117.db2.gz ITNAVIDLWOMNJG-WFASDCNBSA-N 1 0 272.433 2.284 10 0 CEAERO CCCN[C@](C)(C[N@H+](CCC)CC1CC1)C(=O)OC ZINC000045276829 175346306 /nfs/dbraw/zinc/34/63/06/175346306.db2.gz RVTRBDHOGSRTNT-OAHLLOKOSA-N 1 0 270.417 2.040 10 0 CEAERO CCOC(=O)[C@@](C)(C[N@H+](CC(C)C)C1CC1)NC1CC1 ZINC000045277518 175347505 /nfs/dbraw/zinc/34/75/05/175347505.db2.gz JPHHUMOTCBHKLP-MRXNPFEDSA-N 1 0 282.428 2.181 10 0 CEAERO CN[C@](C)(CC[N@H+](C)C1CCC(C)CC1)C(=O)OC ZINC000045280599 175350148 /nfs/dbraw/zinc/35/01/48/175350148.db2.gz YZXSMRMYUGICCY-SSDMNJCBSA-N 1 0 270.417 2.038 10 0 CEAERO CCN[C@](C)(C[N@H+](C)[C@@H](C)CC(C)C)C(=O)OCC ZINC000045279952 175350173 /nfs/dbraw/zinc/35/01/73/175350173.db2.gz NIKAUUOSGDVWAG-DZGCQCFKSA-N 1 0 272.433 2.284 10 0 CEAERO CC[NH2+][C@](C)(CCCN(CC)c1ccccc1C)C(N)=O ZINC000045369963 175363596 /nfs/dbraw/zinc/36/35/96/175363596.db2.gz RKRLRENTJUIVPC-QGZVFWFLSA-N 1 0 291.439 2.455 10 0 CEAERO CC[NH2+][C@@](C)(CCC[N@H+]1C[C@H](C)C[C@H](C)C1)C(=O)[O-] ZINC000045373431 175364906 /nfs/dbraw/zinc/36/49/06/175364906.db2.gz OMEDJNZWFKRCFU-GUTXKFCHSA-N 1 0 270.417 2.197 10 0 CEAERO CC[N@H+](CCCC[C@@](C)([NH2+]C1CC1)C(=O)[O-])C(C)C ZINC000045383615 175371060 /nfs/dbraw/zinc/37/10/60/175371060.db2.gz GMRKLOBJPBMJEV-OAHLLOKOSA-N 1 0 270.417 2.482 10 0 CEAERO CCN[C@](C)(CCCC[N@H+](C)C1CC1)C(=O)OCC ZINC000045383194 175371325 /nfs/dbraw/zinc/37/13/25/175371325.db2.gz FHWLJJRZRCTPIP-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CC[N@H+](CCC[C@](C)([NH2+]C)C(=O)[O-])C1CCCC1 ZINC000045390530 175374285 /nfs/dbraw/zinc/37/42/85/175374285.db2.gz YAWCGKSSJLJWDI-AWEZNQCLSA-N 1 0 256.390 2.094 10 0 CEAERO CCN[C@@](C)(CCC[N@H+](C)C(CC)CC)C(=O)OC ZINC000045391599 175374888 /nfs/dbraw/zinc/37/48/88/175374888.db2.gz WGWDJUSBWSHFDG-HNNXBMFYSA-N 1 0 272.433 2.428 10 0 CEAERO CCC[NH2+][C@@](C)(CCC[N@H+](C)[C@@H](C)C1CC1)C(=O)[O-] ZINC000045392941 175375256 /nfs/dbraw/zinc/37/52/56/175375256.db2.gz DWGOKPAZCKNNEJ-WFASDCNBSA-N 1 0 270.417 2.340 10 0 CEAERO CCOC(=O)[C@@H](C[NH+](CC(C)C)CC(C)C)NC1CC1 ZINC000045420381 175378464 /nfs/dbraw/zinc/37/84/64/175378464.db2.gz XHROCDZPTANLES-OAHLLOKOSA-N 1 0 284.444 2.284 10 0 CEAERO Cc1nc(NC2CC[NH2+]CC2)cc(-c2ccccn2)n1 ZINC000045950873 175388485 /nfs/dbraw/zinc/38/84/85/175388485.db2.gz WVZQLLNHAPYDQC-UHFFFAOYSA-N 1 0 269.352 2.011 10 0 CEAERO CN1C[C@@H](C[NH2+][C@H](c2ccccc2)C2CC2)CC1=O ZINC000658238830 415272146 /nfs/dbraw/zinc/27/21/46/415272146.db2.gz JGEVZXRBAFSKDC-MLGOLLRUSA-N 1 0 258.365 2.206 10 0 CEAERO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1cccc(F)c1F ZINC000658241650 415274612 /nfs/dbraw/zinc/27/46/12/415274612.db2.gz YNOGDCAQHLEBMY-ZJUUUORDSA-N 1 0 268.307 2.094 10 0 CEAERO Cc1cc(C)cc([C@H](C)[NH2+]C[C@H]2CC(=O)N(C)C2)c1 ZINC000658243460 415277231 /nfs/dbraw/zinc/27/72/31/415277231.db2.gz DIGSUPMCMNWVFW-UONOGXRCSA-N 1 0 260.381 2.432 10 0 CEAERO CN1C[C@H](C[NH2+][C@H](C2CC2)C2CCCC2)CC1=O ZINC000658242916 415277537 /nfs/dbraw/zinc/27/75/37/415277537.db2.gz WETWFVBYEBXGPS-NHYWBVRUSA-N 1 0 250.386 2.023 10 0 CEAERO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC(=O)N(C)C2)c(C)c1 ZINC000658246111 415280336 /nfs/dbraw/zinc/28/03/36/415280336.db2.gz XOWQLKZXWMEZAA-ZIAGYGMSSA-N 1 0 260.381 2.432 10 0 CEAERO [NH3+]C[C@H](c1nc(-c2cccnc2)no1)c1ccccc1 ZINC000061609350 175651260 /nfs/dbraw/zinc/65/12/60/175651260.db2.gz KFIQCAGLFOFUEH-ZDUSSCGKSA-N 1 0 266.304 2.222 10 0 CEAERO Cc1ccc2cccc(NC(=O)[C@H]3CC[NH2+]C3)c2n1 ZINC000062117003 175663158 /nfs/dbraw/zinc/66/31/58/175663158.db2.gz UANKGTIQUONOOU-LBPRGKRZSA-N 1 0 255.321 2.091 10 0 CEAERO COc1cccc(C(=O)N(C)[C@@H]2CCC[NH2+]CC2)c1C ZINC000659305753 415502052 /nfs/dbraw/zinc/50/20/52/415502052.db2.gz XOUGXCVQHLGTCG-CYBMUJFWSA-N 1 0 276.380 2.218 10 0 CEAERO CCC1(C(=O)N2C[C@@H](C)S[C@H](C)C2)CC[NH2+]CC1 ZINC000070386667 175904266 /nfs/dbraw/zinc/90/42/66/175904266.db2.gz QLWAKACDGAEEDC-VXGBXAGGSA-N 1 0 270.442 2.119 10 0 CEAERO CCc1nc(N2C[C@@H](C)S[C@@H](C)C2)sc1C[NH3+] ZINC000070387059 175905270 /nfs/dbraw/zinc/90/52/70/175905270.db2.gz YFNDDBZBMLRZMU-DTORHVGOSA-N 1 0 271.455 2.494 10 0 CEAERO CC[NH2+][C@@H](Cc1ccccc1OC)Cc1cnccc1N ZINC000070400897 175910551 /nfs/dbraw/zinc/91/05/51/175910551.db2.gz WIWAJAYKBYMORG-HNNXBMFYSA-N 1 0 285.391 2.436 10 0 CEAERO C(CC1CC[NH2+]CC1)c1nc([C@@H]2C[C@H]3CC[C@@H]2O3)no1 ZINC000070427681 175923614 /nfs/dbraw/zinc/92/36/14/175923614.db2.gz GAPBRZRVLBALSS-UPJWGTAASA-N 1 0 277.368 2.037 10 0 CEAERO Cc1cc(N2CC[C@H]([NH3+])C2)nc(-c2ccc(F)cc2)n1 ZINC000070455941 175940415 /nfs/dbraw/zinc/94/04/15/175940415.db2.gz DVYUXYKGPFLMBF-ZDUSSCGKSA-N 1 0 272.327 2.129 10 0 CEAERO CCC[NH2+]Cc1ccc(-n2cc(C(F)(F)F)cn2)nn1 ZINC000070467756 175947801 /nfs/dbraw/zinc/94/78/01/175947801.db2.gz WRHNJCJDGDOIKX-UHFFFAOYSA-N 1 0 285.273 2.181 10 0 CEAERO CCCN(CC(F)(F)F)C[C@](CO)([NH2+]C1CC1)C1CC1 ZINC000070513975 175962460 /nfs/dbraw/zinc/96/24/60/175962460.db2.gz AUECDUKJFIESMY-CYBMUJFWSA-N 1 0 294.361 2.154 10 0 CEAERO OC[C@](COCC(F)(F)F)([NH2+]C1CC1)c1ccccc1 ZINC000070517841 175965813 /nfs/dbraw/zinc/96/58/13/175965813.db2.gz GRCOMXMYXUFPQP-CYBMUJFWSA-N 1 0 289.297 2.205 10 0 CEAERO CCC[NH2+]C[C@H](C)CN1c2cc(F)cc(F)c2C(=O)C1=O ZINC000070527563 175971640 /nfs/dbraw/zinc/97/16/40/175971640.db2.gz HMKBBBBMWRELCO-VIFPVBQESA-N 1 0 296.317 2.130 10 0 CEAERO CC[NH2+][C@H](CN1CCc2ccccc2C1=O)C1CC1 ZINC000070536557 175976007 /nfs/dbraw/zinc/97/60/07/175976007.db2.gz JCERFGNRIFINGU-OAHLLOKOSA-N 1 0 258.365 2.073 10 0 CEAERO [NH3+][C@H]1CCC[C@H](c2nc(Cc3ccccn3)no2)C1 ZINC000070557266 175985259 /nfs/dbraw/zinc/98/52/59/175985259.db2.gz LYAYUQDXWVMWDE-QWRGUYRKSA-N 1 0 258.325 2.040 10 0 CEAERO CC(C)[NH2+]C[C@@H](O)CSc1ncccc1Cl ZINC000070615085 175997358 /nfs/dbraw/zinc/99/73/58/175997358.db2.gz MARLKWUGEORKAR-SECBINFHSA-N 1 0 260.790 2.186 10 0 CEAERO COc1ccc(Br)cc1[C@H]1OCC[C@@H]1C[NH3+] ZINC000070674111 176000496 /nfs/dbraw/zinc/00/04/96/176000496.db2.gz TUVSEPNVKCYTJJ-PELKAZGASA-N 1 0 286.169 2.494 10 0 CEAERO [NH3+]Cc1ccnn1Cc1ccccc1Br ZINC000070708218 176002632 /nfs/dbraw/zinc/00/26/32/176002632.db2.gz ISQQGOXYXLWBFZ-UHFFFAOYSA-N 1 0 266.142 2.153 10 0 CEAERO [NH3+]Cc1cc(F)ccc1Cn1cc(Br)cn1 ZINC000070849439 176008797 /nfs/dbraw/zinc/00/87/97/176008797.db2.gz IGXJDHHCDHTINS-UHFFFAOYSA-N 1 0 284.132 2.292 10 0 CEAERO CCOC(=O)C1CCN(C[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000070941099 176014838 /nfs/dbraw/zinc/01/48/38/176014838.db2.gz WNRYJSQGFZSRIU-MRXNPFEDSA-N 1 0 290.407 2.004 10 0 CEAERO [NH3+]CCN(C(=O)CCOc1ccccc1)C1CCCC1 ZINC000070943652 176016600 /nfs/dbraw/zinc/01/66/00/176016600.db2.gz XWSYEUHJTPRZQS-UHFFFAOYSA-N 1 0 276.380 2.185 10 0 CEAERO [NH3+]CCN(C1CCCC1)S(=O)(=O)CC1CCCCC1 ZINC000070975283 176018143 /nfs/dbraw/zinc/01/81/43/176018143.db2.gz XONIGDFGSRFYKK-UHFFFAOYSA-N 1 0 288.457 2.100 10 0 CEAERO C[C@H](c1ccccc1)N1CCC[C@@H]([NH2+]C2CC2)C1=O ZINC000071032703 176023877 /nfs/dbraw/zinc/02/38/77/176023877.db2.gz HZSJSORIBVDVBE-IUODEOHRSA-N 1 0 258.365 2.491 10 0 CEAERO Cc1ccc([C@H](C)N2CCC[C@@H]([NH2+]C3CC3)C2=O)o1 ZINC000071033759 176024254 /nfs/dbraw/zinc/02/42/54/176024254.db2.gz CDOHXRJJLJTOQT-WCQYABFASA-N 1 0 262.353 2.392 10 0 CEAERO C[C@@H](c1cccc(F)c1)N1CC[C@@H]([NH2+]C2CC2)C1=O ZINC000071034924 176024556 /nfs/dbraw/zinc/02/45/56/176024556.db2.gz GSZALWPIFVLEAJ-IINYFYTJSA-N 1 0 262.328 2.240 10 0 CEAERO CC(C)[NH2+][C@@H]1CCCN(C[C@H]2CC=CCC2)C1=O ZINC000071034558 176024766 /nfs/dbraw/zinc/02/47/66/176024766.db2.gz MAYXHXZOLJYBHH-UONOGXRCSA-N 1 0 250.386 2.332 10 0 CEAERO CC(C)[NH2+][C@H]1CCCN(C(C2CC2)C2CC2)C1=O ZINC000071037225 176025795 /nfs/dbraw/zinc/02/57/95/176025795.db2.gz ONXQKKKULLGPQK-ZDUSSCGKSA-N 1 0 250.386 2.164 10 0 CEAERO CC[NH2+][C@@H]1CCCN([C@H](C)CCc2ccco2)C1=O ZINC000071036769 176026150 /nfs/dbraw/zinc/02/61/50/176026150.db2.gz FMUIDOJXPGJZTH-TZMCWYRMSA-N 1 0 264.369 2.201 10 0 CEAERO CC(C)[NH2+][C@@H]1CCCN(CCc2cccc(F)c2)C1=O ZINC000071040533 176027568 /nfs/dbraw/zinc/02/75/68/176027568.db2.gz HFKNTLMLYFTUIT-OAHLLOKOSA-N 1 0 278.371 2.357 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN([C@@H](C)c2cccs2)C1=O ZINC000071040238 176027742 /nfs/dbraw/zinc/02/77/42/176027742.db2.gz DCJYNXCZTBLZKI-WDEREUQCSA-N 1 0 252.383 2.408 10 0 CEAERO Cc1ccc(CN2CCC[C@@H]([NH2+]C3CC3)C2=O)s1 ZINC000071042032 176028433 /nfs/dbraw/zinc/02/84/33/176028433.db2.gz CXWMBTXJYNKIPC-CYBMUJFWSA-N 1 0 264.394 2.300 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCN1Cc1cccc(Cl)c1 ZINC000071042466 176028768 /nfs/dbraw/zinc/02/87/68/176028768.db2.gz IQLQXVQULNZZNV-ZDUSSCGKSA-N 1 0 264.756 2.193 10 0 CEAERO C[C@H](c1ccsc1)N1CC[C@H]([NH2+]C2CC2)C1=O ZINC000071042810 176028999 /nfs/dbraw/zinc/02/89/99/176028999.db2.gz QHGDVKYYUMEFQQ-SKDRFNHKSA-N 1 0 250.367 2.162 10 0 CEAERO CC(C)[NH2+][C@@H]1CCCN([C@@H]2CCOc3ccccc32)C1=O ZINC000071043261 176029437 /nfs/dbraw/zinc/02/94/37/176029437.db2.gz JJMZANOLPMZQLW-HUUCEWRRSA-N 1 0 288.391 2.499 10 0 CEAERO CC(C)[NH2+][C@@H]1CCCN([C@H]2COc3ccccc32)C1=O ZINC000071044280 176029739 /nfs/dbraw/zinc/02/97/39/176029739.db2.gz JNLGUVVTSZCGDH-KGLIPLIRSA-N 1 0 274.364 2.109 10 0 CEAERO c1ccc2c(c1)CCO[C@@H]2C[NH2+][C@H]1CCN(C2CC2)C1 ZINC000071090994 176031154 /nfs/dbraw/zinc/03/11/54/176031154.db2.gz KXRUZEGLUTYCGA-WMLDXEAASA-N 1 0 272.392 2.127 10 0 CEAERO CCN(C[C@@H]1OCCc2ccccc21)C1CC[NH2+]CC1 ZINC000071092165 176032302 /nfs/dbraw/zinc/03/23/02/176032302.db2.gz WYFNTZYWWBUIOY-KRWDZBQOSA-N 1 0 274.408 2.374 10 0 CEAERO C[C@@H]([NH3+])c1cnn(C[C@H]2OCCc3ccccc32)c1 ZINC000071098916 176032467 /nfs/dbraw/zinc/03/24/67/176032467.db2.gz XAEYXLORXWFBGP-IAQYHMDHSA-N 1 0 257.337 2.217 10 0 CEAERO COc1cc(OC)cc(O[C@@H](C)C[NH2+]C[C@@H]2CCCO2)c1 ZINC000071137862 176036185 /nfs/dbraw/zinc/03/61/85/176036185.db2.gz QXZKEGFRHNJIMI-STQMWFEESA-N 1 0 295.379 2.240 10 0 CEAERO CC[C@H]1CCCC[C@@]1(CN)[N@H+](CCOC)C1CC1 ZINC000071161893 176046453 /nfs/dbraw/zinc/04/64/53/176046453.db2.gz WCSGAWSWYLCRJB-ZFWWWQNUSA-N 1 0 254.418 2.395 10 0 CEAERO CC[NH2+][C@H]1CCOC[C@H]1Oc1cc(F)ccc1F ZINC000071167429 176049265 /nfs/dbraw/zinc/04/92/65/176049265.db2.gz ZLPDPHSMNZDMPZ-WCQYABFASA-N 1 0 257.280 2.111 10 0 CEAERO COc1ccc(C[C@@](C)(C[NH3+])N2CCCO[C@@H](C)C2)cc1 ZINC000071169348 176049785 /nfs/dbraw/zinc/04/97/85/176049785.db2.gz FZRNUMPUMXKLOI-YOEHRIQHSA-N 1 0 292.423 2.066 10 0 CEAERO Fc1ccc(F)c(OCC[NH2+]C[C@H]2CCCO2)c1 ZINC000071168961 176049925 /nfs/dbraw/zinc/04/99/25/176049925.db2.gz BGIOZNYLNXYYDB-LLVKDONJSA-N 1 0 257.280 2.112 10 0 CEAERO CC[C@@H](C)[NH2+][C@@](C)(CO)Cc1ccc(OC)cc1 ZINC000071169931 176050416 /nfs/dbraw/zinc/05/04/16/176050416.db2.gz XVSUYHGXZUXNQI-IUODEOHRSA-N 1 0 251.370 2.377 10 0 CEAERO CC[C@@H](C)[NH2+][C@](C)(CO)Cc1ccc(OC)cc1 ZINC000071169929 176050557 /nfs/dbraw/zinc/05/05/57/176050557.db2.gz XVSUYHGXZUXNQI-DOMZBBRYSA-N 1 0 251.370 2.377 10 0 CEAERO CCCOc1cncc(N(CC[NH3+])C2CCCCC2)n1 ZINC000071177410 176055266 /nfs/dbraw/zinc/05/52/66/176055266.db2.gz SJDGGRDZRZDZCX-UHFFFAOYSA-N 1 0 278.400 2.363 10 0 CEAERO CC[NH2+]Cc1cc(C)c(O[C@@H]2CCN(C)C2=O)c(C)c1 ZINC000071182790 176057971 /nfs/dbraw/zinc/05/79/71/176057971.db2.gz IDEBUQGENGCAIX-CQSZACIVSA-N 1 0 276.380 2.022 10 0 CEAERO CC[NH2+][C@@H](CC)c1ccc(O[C@H]2CCN(C)C2=O)cc1 ZINC000071182950 176058245 /nfs/dbraw/zinc/05/82/45/176058245.db2.gz AXSQBPJJCHLVHL-GJZGRUSLSA-N 1 0 276.380 2.357 10 0 CEAERO CC[NH2+][C@H](C)CCc1ccc(O[C@H]2CCN(C)C2=O)cc1 ZINC000071182931 176058251 /nfs/dbraw/zinc/05/82/51/176058251.db2.gz KPGVNMPHRRPCIB-CJNGLKHVSA-N 1 0 290.407 2.227 10 0 CEAERO C[NH2+][C@H](C)c1cc(Cl)ccc1O[C@@H]1CCN(C)C1=O ZINC000071183087 176058307 /nfs/dbraw/zinc/05/83/07/176058307.db2.gz XDIURKZKOPLBQB-NOZJJQNGSA-N 1 0 282.771 2.230 10 0 CEAERO CN1CC[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)C1=O ZINC000071183872 176059169 /nfs/dbraw/zinc/05/91/69/176059169.db2.gz VIDPMEOJHGYDLT-NSHDSACASA-N 1 0 272.270 2.026 10 0 CEAERO CC(=O)c1cc(F)ccc1N(C)C[C@H]1CC[N@H+](C)C1 ZINC000071189371 176064577 /nfs/dbraw/zinc/06/45/77/176064577.db2.gz UPHBWTGUMNQSMG-LBPRGKRZSA-N 1 0 264.344 2.416 10 0 CEAERO CNc1ccc(Cl)cc1C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071193183 176075347 /nfs/dbraw/zinc/07/53/47/176075347.db2.gz TUSDPMZWBDPTOM-LLVKDONJSA-N 1 0 295.814 2.405 10 0 CEAERO Fc1ccc(N2CC[C@H]([NH2+]C3CC3)C2)c(F)c1F ZINC000071198023 176076792 /nfs/dbraw/zinc/07/67/92/176076792.db2.gz CCSJHZAPWVQBHB-VIFPVBQESA-N 1 0 256.271 2.435 10 0 CEAERO CC(C)[NH2+][C@H]1CCN(CCc2cccc(F)c2)C1 ZINC000071199145 176077123 /nfs/dbraw/zinc/07/71/23/176077123.db2.gz WNCXSBGSTSRYHJ-HNNXBMFYSA-N 1 0 250.361 2.441 10 0 CEAERO COc1ccc(CN2CC[C@H]([NH2+]C(C)C)C2)cc1OC ZINC000071199115 176077177 /nfs/dbraw/zinc/07/71/77/176077177.db2.gz NHFJFMGTTUFMHP-AWEZNQCLSA-N 1 0 278.396 2.276 10 0 CEAERO Cc1cccc(OCCN2CC[C@H]([NH2+]C(C)C)C2)c1 ZINC000071200347 176077481 /nfs/dbraw/zinc/07/74/81/176077481.db2.gz HDGSEAFWUIVMDY-HNNXBMFYSA-N 1 0 262.397 2.446 10 0 CEAERO CCC[NH2+][C@H]1CCCN(CCc2nc(C)cs2)C1 ZINC000071200236 176077550 /nfs/dbraw/zinc/07/75/50/176077550.db2.gz VLSMHMWZVYRUOO-ZDUSSCGKSA-N 1 0 267.442 2.458 10 0 CEAERO Cc1csc(CCN2CCC[C@@H]([NH2+]C(C)C)C2)n1 ZINC000071200234 176077886 /nfs/dbraw/zinc/07/78/86/176077886.db2.gz COTCAPPNHVOVDX-CYBMUJFWSA-N 1 0 267.442 2.456 10 0 CEAERO COc1cc(F)ccc1N1CC[C@H]([NH2+]C(C)C)C1 ZINC000071200907 176077948 /nfs/dbraw/zinc/07/79/48/176077948.db2.gz SSLOEMZYUIGPNU-LBPRGKRZSA-N 1 0 252.333 2.411 10 0 CEAERO CC(C)(C)[C@@H]([NH3+])Cn1cc(C(F)(F)F)ccc1=O ZINC000071211992 176083667 /nfs/dbraw/zinc/08/36/67/176083667.db2.gz XXMXDEZBKVIRFC-VIFPVBQESA-N 1 0 262.275 2.241 10 0 CEAERO CCC[C@H](Cn1cc(C(F)(F)F)ccc1=O)[NH2+]C ZINC000071211951 176083934 /nfs/dbraw/zinc/08/39/34/176083934.db2.gz PNLZUUFNOQXTDF-SNVBAGLBSA-N 1 0 262.275 2.255 10 0 CEAERO C[C@H]([NH2+]CCn1cc(C(F)(F)F)ccc1=O)C1CC1 ZINC000071212172 176084371 /nfs/dbraw/zinc/08/43/71/176084371.db2.gz MZKBSYIYTAHYBL-VIFPVBQESA-N 1 0 274.286 2.255 10 0 CEAERO Cn1ccnc1Cn1ccc2c1CC(C)(C)C[C@H]2[NH3+] ZINC000071275891 176106843 /nfs/dbraw/zinc/10/68/43/176106843.db2.gz MQQXKPYMVOZING-GFCCVEGCSA-N 1 0 258.369 2.242 10 0 CEAERO C[NH2+]CCCCCCOc1cccc(S(C)(=O)=O)c1 ZINC000071291360 176110814 /nfs/dbraw/zinc/11/08/14/176110814.db2.gz ZDQMYLOVKNQRDS-UHFFFAOYSA-N 1 0 285.409 2.249 10 0 CEAERO CCOC(=O)CCCCC[NH2+]CCc1ccncc1 ZINC000071293579 176111797 /nfs/dbraw/zinc/11/17/97/176111797.db2.gz WLHLERYCYMSUDZ-UHFFFAOYSA-N 1 0 264.369 2.337 10 0 CEAERO CCOC(=O)CCCCC[NH2+]Cc1cccnc1OC ZINC000071293566 176111886 /nfs/dbraw/zinc/11/18/86/176111886.db2.gz GHQLQTCBUSZZKW-UHFFFAOYSA-N 1 0 280.368 2.303 10 0 CEAERO CC(C)c1ccc([C@H](O)C[NH2+]C[C@H](O)C2CC2)cc1 ZINC000071306072 176115497 /nfs/dbraw/zinc/11/54/97/176115497.db2.gz JBURPOKGVZIXPC-CVEARBPZSA-N 1 0 263.381 2.204 10 0 CEAERO CCN(C(=O)c1ccc(Cl)cc1OC)[C@@H]1CC[NH2+]C1 ZINC000071312395 176119133 /nfs/dbraw/zinc/11/91/33/176119133.db2.gz QYXYRDJVMDOVSS-LLVKDONJSA-N 1 0 282.771 2.173 10 0 CEAERO CCN(C(=O)c1ccc(F)cc1Cl)[C@@H]1CC[NH2+]C1 ZINC000071312666 176119237 /nfs/dbraw/zinc/11/92/37/176119237.db2.gz PUCFOOXVKKUFEE-SNVBAGLBSA-N 1 0 270.735 2.303 10 0 CEAERO CCN(c1cccc(C(F)(F)F)n1)[C@H]1CC[NH2+]C1 ZINC000071314175 176120357 /nfs/dbraw/zinc/12/03/57/176120357.db2.gz APMCNQJJNZUXRE-VIFPVBQESA-N 1 0 259.275 2.289 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCN1Cc1ccc(Cl)s1 ZINC000071321630 176122400 /nfs/dbraw/zinc/12/24/00/176122400.db2.gz SCCDXURHNAGUAD-JTQLQIEISA-N 1 0 270.785 2.254 10 0 CEAERO CCCN(c1cnc2ccccc2n1)[C@H]1CC[NH2+]C1 ZINC000071332346 176125545 /nfs/dbraw/zinc/12/55/45/176125545.db2.gz HUTHEWHZLIVPTQ-LBPRGKRZSA-N 1 0 256.353 2.208 10 0 CEAERO CCCN(c1ccc(S(=O)(=O)CC)cc1)[C@@H]1CC[NH2+]C1 ZINC000071332761 176126134 /nfs/dbraw/zinc/12/61/34/176126134.db2.gz LRBPQVZQLDENAM-CQSZACIVSA-N 1 0 296.436 2.059 10 0 CEAERO Cc1ccc(C(=O)NC[C@@H]2[NH2+]CCC[C@@H]2C)cc1F ZINC000071338547 176128642 /nfs/dbraw/zinc/12/86/42/176128642.db2.gz LQOKMHUHWXDXFQ-FZMZJTMJSA-N 1 0 264.344 2.252 10 0 CEAERO Cc1cccc(CCC(=O)NC[C@H]2[NH2+]CCC[C@@H]2C)c1 ZINC000071338778 176129001 /nfs/dbraw/zinc/12/90/01/176129001.db2.gz BXYDJDUDOWFGQP-GOEBONIOSA-N 1 0 274.408 2.432 10 0 CEAERO Cc1ccc(CC(=O)NC[C@@H]2[NH2+]CCC[C@H]2C)cc1C ZINC000071338825 176129098 /nfs/dbraw/zinc/12/90/98/176129098.db2.gz SILVZIREYJWKES-CJNGLKHVSA-N 1 0 274.408 2.350 10 0 CEAERO Cc1ccc(CC(=O)NC[C@H]2[NH2+]CCC[C@H]2C)cc1C ZINC000071338824 176129101 /nfs/dbraw/zinc/12/91/01/176129101.db2.gz SILVZIREYJWKES-CZUORRHYSA-N 1 0 274.408 2.350 10 0 CEAERO C[C@@H]1CCC[NH2+][C@@H]1CNC(=O)CC1CCCCC1 ZINC000071338724 176129161 /nfs/dbraw/zinc/12/91/61/176129161.db2.gz CNOGLYDFJRBHJU-TZMCWYRMSA-N 1 0 252.402 2.461 10 0 CEAERO C[C@H]1CCC[NH2+][C@@H]1CNC(=O)C1CCCCCC1 ZINC000071338801 176129178 /nfs/dbraw/zinc/12/91/78/176129178.db2.gz CSXUFQFZXPQJPD-GXTWGEPZSA-N 1 0 252.402 2.461 10 0 CEAERO C[C@@H]1CCC[NH2+][C@H]1CNC(=O)Nc1ccccc1F ZINC000071338941 176129504 /nfs/dbraw/zinc/12/95/04/176129504.db2.gz NOPPNOPYOHBBIQ-MFKMUULPSA-N 1 0 265.332 2.335 10 0 CEAERO Cc1cccnc1C[NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000071339582 176129817 /nfs/dbraw/zinc/12/98/17/176129817.db2.gz OKQBJHYOFRVZAG-NSHDSACASA-N 1 0 282.347 2.410 10 0 CEAERO CC[C@@H]1CN(CCn2ccnc2C)[C@H](C(C)(C)C)C[NH2+]1 ZINC000071344284 176130752 /nfs/dbraw/zinc/13/07/52/176130752.db2.gz TYAUNAHFLSNKOT-CABCVRRESA-N 1 0 278.444 2.290 10 0 CEAERO Cc1cccnc1CNC(=O)Nc1cccc(C[NH3+])c1 ZINC000071345507 176131427 /nfs/dbraw/zinc/13/14/27/176131427.db2.gz GXVHGIBVJNIEDH-UHFFFAOYSA-N 1 0 270.336 2.170 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1Cc1ncccn1 ZINC000071347010 176131844 /nfs/dbraw/zinc/13/18/44/176131844.db2.gz IFUJAWASHHVNLO-UONOGXRCSA-N 1 0 276.428 2.321 10 0 CEAERO CC[C@H]1CN[C@@H](C(C)(C)C)C[N@@H+]1CCCn1ccnc1 ZINC000071346199 176132202 /nfs/dbraw/zinc/13/22/02/176132202.db2.gz MNYPGDFMXHSCMU-LSDHHAIUSA-N 1 0 278.444 2.372 10 0 CEAERO COCCOCCN1C[C@@H](C(C)(C)C)[NH2+]C[C@@]1(C)C1CC1 ZINC000071349153 176132365 /nfs/dbraw/zinc/13/23/65/176132365.db2.gz OPWBOMZYLMVEHO-RDJZCZTQSA-N 1 0 298.471 2.138 10 0 CEAERO CC[C@]1(C)C[NH2+][C@H](C(C)(C)C)CN1Cc1cnn(C)c1 ZINC000071348648 176132498 /nfs/dbraw/zinc/13/24/98/176132498.db2.gz DFYSUOZOOYPCJF-GOEBONIOSA-N 1 0 278.444 2.409 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@@H](C(C)(C)C)CN1Cc1ncccn1 ZINC000071348539 176133202 /nfs/dbraw/zinc/13/32/02/176133202.db2.gz LCDJSJOONNRJIX-CJNGLKHVSA-N 1 0 276.428 2.465 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@@H](CC(C)C)CN1Cc1ncccn1 ZINC000071351745 176134996 /nfs/dbraw/zinc/13/49/96/176134996.db2.gz GLQIRQXSLVEJLO-HOCLYGCPSA-N 1 0 276.428 2.465 10 0 CEAERO C[C@H]1C[NH2+][C@@H](Cc2ccccc2)CN1C[C@@H]1CCCO1 ZINC000071352516 176135626 /nfs/dbraw/zinc/13/56/26/176135626.db2.gz XSMOPRVWOQTSPZ-XIRDDKMYSA-N 1 0 274.408 2.070 10 0 CEAERO CCOCCN1C[C@H](Cc2ccccc2)[NH2+]CC1(C)C ZINC000071353228 176135632 /nfs/dbraw/zinc/13/56/32/176135632.db2.gz UBROFCGQRHSCLI-INIZCTEOSA-N 1 0 276.424 2.318 10 0 CEAERO CC[C@@H](C)[C@H]1CN(Cc2ncccn2)[C@@](C)(CC)C[NH2+]1 ZINC000071355880 176136675 /nfs/dbraw/zinc/13/66/75/176136675.db2.gz HKKUFINDSDRPSN-FMKPAKJESA-N 1 0 276.428 2.465 10 0 CEAERO CC[C@H](C)[C@@H]1CN(CCn2cccn2)[C@@](C)(CC)C[NH2+]1 ZINC000071355887 176136802 /nfs/dbraw/zinc/13/68/02/176136802.db2.gz MHXWJXWJKYXESC-JYJNAYRXSA-N 1 0 278.444 2.372 10 0 CEAERO CC[C@H](C)[C@H]1C[NH2+][C@@](C)(CC)CN1Cc1cnn(C)c1 ZINC000071357191 176137818 /nfs/dbraw/zinc/13/78/18/176137818.db2.gz SLCUDJFXRNLFLD-IMJJTQAJSA-N 1 0 278.444 2.409 10 0 CEAERO C[C@@]1(C2CC2)C[NH2+]C2(CCCC2)CN1CCn1cccn1 ZINC000071359188 176137860 /nfs/dbraw/zinc/13/78/60/176137860.db2.gz FOQOWUVKDBMBDE-INIZCTEOSA-N 1 0 288.439 2.270 10 0 CEAERO CC[C@]1(C)CN(CCn2cccn2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000071358088 176137882 /nfs/dbraw/zinc/13/78/82/176137882.db2.gz GBQGGDLNEJWNKC-HZPDHXFCSA-N 1 0 276.428 2.126 10 0 CEAERO CC[C@@]1(C)CN(Cc2cnn(C)c2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000071358139 176137913 /nfs/dbraw/zinc/13/79/13/176137913.db2.gz RLTCTRUHHRILRO-JKSUJKDBSA-N 1 0 276.428 2.163 10 0 CEAERO CCn1c(C[NH3+])nnc1SCc1cccc(OC)c1 ZINC000071374639 176139854 /nfs/dbraw/zinc/13/98/54/176139854.db2.gz CXBHLIUDXZNLTH-UHFFFAOYSA-N 1 0 278.381 2.058 10 0 CEAERO Cc1cccc(N)c1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000071376440 176141075 /nfs/dbraw/zinc/14/10/75/176141075.db2.gz DIHJTBCIQIIHGN-UHFFFAOYSA-N 1 0 275.396 2.181 10 0 CEAERO C[N@H+](CCN1[C@@H]2CCC[C@H]1CC(=O)C2)C1CCCC1 ZINC000071379308 176143773 /nfs/dbraw/zinc/14/37/73/176143773.db2.gz KACLCAXYRFYSKE-GASCZTMLSA-N 1 0 264.413 2.447 10 0 CEAERO NC(=O)c1cc2ccccc2nc1N[C@@H]1CCCC[C@H]1[NH3+] ZINC000071386027 176147534 /nfs/dbraw/zinc/14/75/34/176147534.db2.gz LOXSOQDUECQRNB-TZMCWYRMSA-N 1 0 284.363 2.016 10 0 CEAERO CC[C@@H](O)COc1ccc(C[NH3+])cc1C(F)(F)F ZINC000071398363 176151822 /nfs/dbraw/zinc/15/18/22/176151822.db2.gz LDGLQLWQRKLZGT-SECBINFHSA-N 1 0 263.259 2.314 10 0 CEAERO Cc1cc(C2CCCC2)nc(N2CCC[NH2+]CC2)n1 ZINC000071397928 176151840 /nfs/dbraw/zinc/15/18/40/176151840.db2.gz KAPRKHKRNQVBLO-UHFFFAOYSA-N 1 0 260.385 2.242 10 0 CEAERO CC[NH+](CC)CCN[C@@](C)(C(=O)OC)C1CCCCC1 ZINC000071399827 176152241 /nfs/dbraw/zinc/15/22/41/176152241.db2.gz GFYHLXBULNPJJL-MRXNPFEDSA-N 1 0 284.444 2.430 10 0 CEAERO [NH3+][C@@H](CCC(=O)N1CCCC[C@H]1CCO)c1ccccc1 ZINC000071400183 176152739 /nfs/dbraw/zinc/15/27/39/176152739.db2.gz UNVISYVKLNAWRZ-HOTGVXAUSA-N 1 0 290.407 2.230 10 0 CEAERO CCOC(=O)COc1ccc(C)cc1C[NH2+]C(C)C ZINC000071406612 176155643 /nfs/dbraw/zinc/15/56/43/176155643.db2.gz SFKTVVHOXUVGIV-UHFFFAOYSA-N 1 0 265.353 2.435 10 0 CEAERO CCS(=O)(=O)CCOc1ccc(C)cc1C[NH2+]C(C)C ZINC000071406571 176155825 /nfs/dbraw/zinc/15/58/25/176155825.db2.gz VVRWBQFZRILANY-UHFFFAOYSA-N 1 0 299.436 2.307 10 0 CEAERO CCC[NH2+]Cc1cc(C)ccc1O[C@@H](C)C(=O)N(C)C ZINC000071406312 176155887 /nfs/dbraw/zinc/15/58/87/176155887.db2.gz NUSAMAKQMKUIFO-ZDUSSCGKSA-N 1 0 278.396 2.350 10 0 CEAERO Cc1ccc(OCCC(=O)N(C)C)c(C[NH2+]C(C)C)c1 ZINC000071406455 176155974 /nfs/dbraw/zinc/15/59/74/176155974.db2.gz MFJDUBFFKDIIOE-UHFFFAOYSA-N 1 0 278.396 2.350 10 0 CEAERO CC[C@H](Oc1ccc(C)cc1C[NH2+]CC(C)C)C(N)=O ZINC000071407295 176156126 /nfs/dbraw/zinc/15/61/26/176156126.db2.gz VUVBFQSFUSMQJA-AWEZNQCLSA-N 1 0 278.396 2.383 10 0 CEAERO CCS(=O)(=O)CCOc1ccc(C)cc1C[NH2+]C1CC1 ZINC000071406922 176156517 /nfs/dbraw/zinc/15/65/17/176156517.db2.gz QCKXRXLWRUORLC-UHFFFAOYSA-N 1 0 297.420 2.061 10 0 CEAERO Cc1ccc(O[C@H]2CCCCNC2=O)c(C[NH2+]C2CC2)c1 ZINC000071407037 176156535 /nfs/dbraw/zinc/15/65/35/176156535.db2.gz OXJMFGTXMYSEJH-INIZCTEOSA-N 1 0 288.391 2.295 10 0 CEAERO Cc1ccc(OCCOCC(F)(F)F)c(CC[NH3+])c1 ZINC000071411379 176157228 /nfs/dbraw/zinc/15/72/28/176157228.db2.gz PNXBKGQNXNZGEW-UHFFFAOYSA-N 1 0 277.286 2.454 10 0 CEAERO Cc1ccc(OCC(=O)N2CCCCC2)c(C[C@@H](C)[NH3+])c1 ZINC000071411865 176157531 /nfs/dbraw/zinc/15/75/31/176157531.db2.gz NJKVTHXGOIIWHB-CQSZACIVSA-N 1 0 290.407 2.276 10 0 CEAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000071413004 176158255 /nfs/dbraw/zinc/15/82/55/176158255.db2.gz WAUSXIHYHRUYFV-QDCKZUPOSA-N 1 0 291.439 2.252 10 0 CEAERO CO[C@](C)(C[NH3+])c1ccc(Br)s1 ZINC000071571736 176197396 /nfs/dbraw/zinc/19/73/96/176197396.db2.gz CWAGANMSVVPVPN-MRVPVSSYSA-N 1 0 250.161 2.331 10 0 CEAERO COc1ccc(C[C@@H]([NH3+])CN(C)C)cc1C(C)C ZINC000071572681 176198722 /nfs/dbraw/zinc/19/87/22/176198722.db2.gz LZHYEEKCAMBHQT-CYBMUJFWSA-N 1 0 250.386 2.250 10 0 CEAERO c1cc2c(cc1SC1CC[NH2+]CC1)OCCO2 ZINC000071573388 176199643 /nfs/dbraw/zinc/19/96/43/176199643.db2.gz INZAZOJTTIVUAU-UHFFFAOYSA-N 1 0 251.351 2.302 10 0 CEAERO [NH3+]Cc1nccn1-c1ccccc1Br ZINC000071573920 176200666 /nfs/dbraw/zinc/20/06/66/176200666.db2.gz BZCNNEODTXMLPC-UHFFFAOYSA-N 1 0 252.115 2.094 10 0 CEAERO O[C@@H](C[NH2+]C1CC1)Cc1ccc(C(F)(F)F)cc1 ZINC000071585116 176210592 /nfs/dbraw/zinc/21/05/92/176210592.db2.gz ADHZGACTGAFDMP-GFCCVEGCSA-N 1 0 259.271 2.361 10 0 CEAERO C[NH2+][C@H](C(=O)c1ccc(OC)c(C)c1OC)C(C)C ZINC000071597836 176221575 /nfs/dbraw/zinc/22/15/75/176221575.db2.gz QCHWAMCVHNAEEJ-ZDUSSCGKSA-N 1 0 265.353 2.439 10 0 CEAERO O[C@@H](C[NH2+]C1CC1)Cc1ccc(Br)cc1 ZINC000071601356 176228218 /nfs/dbraw/zinc/22/82/18/176228218.db2.gz GCRAUHQKQXAOIU-GFCCVEGCSA-N 1 0 270.170 2.105 10 0 CEAERO Brc1ccccc1CC[C@H]1COCC[NH2+]1 ZINC000071601322 176228375 /nfs/dbraw/zinc/22/83/75/176228375.db2.gz CCUPNTVHWAHUTO-NSHDSACASA-N 1 0 270.170 2.370 10 0 CEAERO COc1ccc(Br)cc1[C@@H](O)[C@H]([NH3+])C(C)C ZINC000071644296 176239561 /nfs/dbraw/zinc/23/95/61/176239561.db2.gz NNSIDCGLZZVBRA-VXGBXAGGSA-N 1 0 288.185 2.474 10 0 CEAERO Cc1n[nH]c(C)c1CNC(=O)c1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC000072173716 176333617 /nfs/dbraw/zinc/33/36/17/176333617.db2.gz KSRUTZNKDISPDG-OAHLLOKOSA-N 1 0 298.390 2.033 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)N1CCC(C2CCC2)CC1 ZINC000662631076 415913555 /nfs/dbraw/zinc/91/35/55/415913555.db2.gz PBEFEQOXMBKEHV-ZDUSSCGKSA-N 1 0 264.413 2.415 10 0 CEAERO CO[C@@H](CNC(=O)C[C@@H]([NH3+])C(C)C)C1CCCCC1 ZINC000662732516 415947340 /nfs/dbraw/zinc/94/73/40/415947340.db2.gz CTNRBKCUFIZGQC-KGLIPLIRSA-N 1 0 270.417 2.071 10 0 CEAERO C[NH2+]CCCCCC(=O)N1CCc2ccccc2C1 ZINC000076326257 176989689 /nfs/dbraw/zinc/98/96/89/176989689.db2.gz ISHLVVDCNCOPCY-UHFFFAOYSA-N 1 0 260.381 2.351 10 0 CEAERO CC(C)NC(=O)CC[C@H](C[NH3+])c1cccc(F)c1 ZINC000076656723 177045890 /nfs/dbraw/zinc/04/58/90/177045890.db2.gz MKRBXUKHRWUPKC-GFCCVEGCSA-N 1 0 252.333 2.173 10 0 CEAERO CCCNC(=O)[C@@H](CC[NH3+])c1cccc(Cl)c1 ZINC000076658718 177047855 /nfs/dbraw/zinc/04/78/55/177047855.db2.gz YZZQGUKEHUFBHU-LBPRGKRZSA-N 1 0 254.761 2.299 10 0 CEAERO COc1ccc(OC[C@@H](C[NH3+])c2cccnc2)cc1 ZINC000076666112 177051051 /nfs/dbraw/zinc/05/10/51/177051051.db2.gz VZFWSLFTBQNCHB-CYBMUJFWSA-N 1 0 258.321 2.212 10 0 CEAERO CC(=O)c1ccc(NC(=O)[C@@H](CC[NH3+])C(C)C)cc1 ZINC000076674777 177055508 /nfs/dbraw/zinc/05/55/08/177055508.db2.gz HLZFVHVPGUQRLI-AWEZNQCLSA-N 1 0 262.353 2.449 10 0 CEAERO CC(C)(C)OC(=O)N[C@@H]1C(C)(C)C12CC[NH2+]CC2 ZINC000076695633 177060235 /nfs/dbraw/zinc/06/02/35/177060235.db2.gz CDMYHBIYWJSRLE-SNVBAGLBSA-N 1 0 254.374 2.289 10 0 CEAERO Cc1cc(Br)c2nc([C@H](C)[NH3+])cn2c1 ZINC000076792254 177097298 /nfs/dbraw/zinc/09/72/98/177097298.db2.gz DJLAZUGKEAGPPN-ZETCQYMHSA-N 1 0 254.131 2.425 10 0 CEAERO Cc1ccc(C)c(C[NH+]2CCN(CCn3ccnc3)CC2)c1 ZINC000077120166 177226241 /nfs/dbraw/zinc/22/62/41/177226241.db2.gz HYKAZBAZXFIUNF-UHFFFAOYSA-N 1 0 298.434 2.318 10 0 CEAERO C[C@H]1COC[C@H](C)[NH+]1CCC(=O)N1CCc2ccccc21 ZINC000077366351 177257576 /nfs/dbraw/zinc/25/75/76/177257576.db2.gz XTDJEIKDZAGNDW-KBPBESRZSA-N 1 0 288.391 2.075 10 0 CEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H]1CC=CCC1 ZINC000077552867 177280745 /nfs/dbraw/zinc/28/07/45/177280745.db2.gz XCGQRJBPBJOZEK-STQMWFEESA-N 1 0 253.390 2.125 10 0 CEAERO C[C@@H]([NH2+]CC1(O)CCCCC1)C(=O)Nc1ccccc1 ZINC000078515925 177349109 /nfs/dbraw/zinc/34/91/09/177349109.db2.gz QHCAVFZDTDICNW-CYBMUJFWSA-N 1 0 276.380 2.298 10 0 CEAERO CC(C)(C)[NH2+]C[C@H](O)c1cnn(-c2ccccc2)c1 ZINC000078626102 177361859 /nfs/dbraw/zinc/36/18/59/177361859.db2.gz QJCNWCDROFIEAI-AWEZNQCLSA-N 1 0 259.353 2.294 10 0 CEAERO Cc1cc(N[C@H](C)CS(C)(=O)=O)c2ccccc2[nH+]1 ZINC000078637865 177362920 /nfs/dbraw/zinc/36/29/20/177362920.db2.gz WZMUBFBFRYCELJ-LLVKDONJSA-N 1 0 278.377 2.388 10 0 CEAERO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(N)c(Cl)c2)C1 ZINC000078894970 177402788 /nfs/dbraw/zinc/40/27/88/177402788.db2.gz HTDFOLSYGZUQPR-GFCCVEGCSA-N 1 0 295.814 2.479 10 0 CEAERO CC[C@@H](CC[NH3+])CCC(=O)N(C)C[C@H]1CCCCO1 ZINC000079212412 177448127 /nfs/dbraw/zinc/44/81/27/177448127.db2.gz LBXCMTXIPWRRIM-ZIAGYGMSSA-N 1 0 270.417 2.169 10 0 CEAERO CCC[C@H](CC[NH3+])CCC(=O)N[C@@H](CO)CC(C)C ZINC000079239893 177454165 /nfs/dbraw/zinc/45/41/65/177454165.db2.gz XCGXXYOFIOXODJ-UONOGXRCSA-N 1 0 272.433 2.055 10 0 CEAERO CC(C)[C@@H]1CCC(=O)N(C[C@H]2CCC[NH2+]C2)CC1 ZINC000079249157 177456586 /nfs/dbraw/zinc/45/65/86/177456586.db2.gz WIOHZTRKUQAAHP-UONOGXRCSA-N 1 0 252.402 2.271 10 0 CEAERO CC(C)[C@H](CC[NH3+])CCC(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000079255169 177459175 /nfs/dbraw/zinc/45/91/75/177459175.db2.gz ZPEIWNTUWLQXJX-RDBSUJKOSA-N 1 0 270.417 2.071 10 0 CEAERO CCN(C(=O)CC[C@@H](CC[NH3+])C(C)C)[C@@H](C)COC ZINC000079276841 177461099 /nfs/dbraw/zinc/46/10/99/177461099.db2.gz PVWPDXLSAIQFAS-KBPBESRZSA-N 1 0 272.433 2.271 10 0 CEAERO CCCCN(CCO)C(=O)CC[C@@H](CC[NH3+])C(C)(C)C ZINC000079291049 177464784 /nfs/dbraw/zinc/46/47/84/177464784.db2.gz WSIPZQUZDMMRDP-AWEZNQCLSA-N 1 0 286.460 2.399 10 0 CEAERO CCN[C@@](C)(CC[N@@H+]1CCC[C@@H](CC)CC1)C(=O)OC ZINC000079365797 177472961 /nfs/dbraw/zinc/47/29/61/177472961.db2.gz WESKFQUIYVQKSU-ZBFHGGJFSA-N 1 0 284.444 2.430 10 0 CEAERO CC[NH2+]CCCc1nnc(-c2ccc(Cl)cn2)o1 ZINC000079731361 177545705 /nfs/dbraw/zinc/54/57/05/177545705.db2.gz GVZJCGUANLEDLY-UHFFFAOYSA-N 1 0 266.732 2.327 10 0 CEAERO CC[NH2+]Cc1cn(CCOCCOC)c2ccccc12 ZINC000080066222 177604414 /nfs/dbraw/zinc/60/44/14/177604414.db2.gz OLJICHXJJZOVAD-UHFFFAOYSA-N 1 0 276.380 2.414 10 0 CEAERO CCOc1cc(N2CCC([NH2+]CC3CC3)CC2)nc(C)n1 ZINC000133686858 419432803 /nfs/dbraw/zinc/43/28/03/419432803.db2.gz JATHKOUUONYCBY-UHFFFAOYSA-N 1 0 290.411 2.152 10 0 CEAERO CCOc1ccc(NC(=O)C[C@@H]([NH3+])C(C)C)cc1 ZINC000136292730 419442010 /nfs/dbraw/zinc/44/20/10/419442010.db2.gz WBMXXAMVDBZMQI-CYBMUJFWSA-N 1 0 250.342 2.397 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H](C)Cc1cccs1 ZINC000136338471 419443490 /nfs/dbraw/zinc/44/34/90/419443490.db2.gz ZBUCHMSOWJIUMX-PWSUYJOCSA-N 1 0 254.399 2.169 10 0 CEAERO Cc1ccccc1C[C@@H](C)NC(=O)C[C@@H]([NH3+])C(C)C ZINC000136369076 419444126 /nfs/dbraw/zinc/44/41/26/419444126.db2.gz KVXDJSHDOOGZER-UKRRQHHQSA-N 1 0 262.397 2.416 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)N1CCCc2ccccc2C1 ZINC000136459504 419446104 /nfs/dbraw/zinc/44/61/04/419446104.db2.gz ZZJOPOGQMUKKHF-OAHLLOKOSA-N 1 0 260.381 2.335 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CCc2ccccc2C1 ZINC000136450459 419448005 /nfs/dbraw/zinc/44/80/05/419448005.db2.gz ZGRXZMMWGIQKEA-HUUCEWRRSA-N 1 0 260.381 2.034 10 0 CEAERO COc1ccc([C@@H](C)NC(=O)C[C@@H]([NH3+])C(C)C)cc1 ZINC000136481095 419448259 /nfs/dbraw/zinc/44/82/59/419448259.db2.gz SSBGEPKQNIIEKY-BXUZGUMPSA-N 1 0 264.369 2.246 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000136427792 419448421 /nfs/dbraw/zinc/44/84/21/419448421.db2.gz MYKYRCGREOFKFF-GFCCVEGCSA-N 1 0 286.322 2.278 10 0 CEAERO CN(C)C[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)c1ccccc1 ZINC000667770092 419795635 /nfs/dbraw/zinc/79/56/35/419795635.db2.gz OMTFDPQIHLWBMA-IXDOHACOSA-N 1 0 274.408 2.446 10 0 CEAERO C[C@H]1CCCN(c2ccncc2Br)[C@H]1C[NH3+] ZINC000252835397 299853343 /nfs/dbraw/zinc/85/33/43/299853343.db2.gz UQRGNOCUEZNRJZ-CABZTGNLSA-N 1 0 284.201 2.408 10 0 CEAERO [NH3+][C@H]1CCCN(C(=O)c2ccc(F)cc2C(F)(F)F)C1 ZINC000334661713 270335775 /nfs/dbraw/zinc/33/57/75/270335775.db2.gz ONJRELVGTQXCTL-VIFPVBQESA-N 1 0 290.260 2.408 10 0 CEAERO C[C@@H]1C[N@H+](C[C@H](O)COCc2ccccc2)CC(C)(C)O1 ZINC000068481417 260142035 /nfs/dbraw/zinc/14/20/35/260142035.db2.gz ZEUAMYGUMVZQDB-ZBFHGGJFSA-N 1 0 293.407 2.063 10 0 CEAERO CC[C@H](C)[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000181124880 260565745 /nfs/dbraw/zinc/56/57/45/260565745.db2.gz OVAWLFJROVMNFG-AWEZNQCLSA-N 1 0 264.417 2.078 10 0 CEAERO CO[C@H](CN(C)[C@@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000425415259 264293115 /nfs/dbraw/zinc/29/31/15/264293115.db2.gz FPNUHYPSWFKIQK-CMPLNLGQSA-N 1 0 257.374 2.073 10 0 CEAERO C[C@H](CCC1CC1)[NH2+]C[C@@H](O)COCc1ccco1 ZINC000398101495 270355651 /nfs/dbraw/zinc/35/56/51/270355651.db2.gz XHKSTDOUTSNRGE-TZMCWYRMSA-N 1 0 267.369 2.325 10 0 CEAERO Cc1ccc(F)cc1NC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000094647016 274746648 /nfs/dbraw/zinc/74/66/48/274746648.db2.gz NSPCPUVRUZOCIR-JQWIXIFHSA-N 1 0 250.317 2.461 10 0 CEAERO CC[C@@H]1CN(C(=O)C[C@@H]2CCC[C@@H]2C)CC[N@@H+]1C[C@@H](C)O ZINC000185995133 270247908 /nfs/dbraw/zinc/24/79/08/270247908.db2.gz OQAJFEOIQJFXAN-XUWVNRHRSA-N 1 0 296.455 2.116 10 0 CEAERO CSCCC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000192932987 270281987 /nfs/dbraw/zinc/28/19/87/270281987.db2.gz SABNIWJBDLZBOG-CYBMUJFWSA-N 1 0 266.410 2.159 10 0 CEAERO CCOc1ncccc1NC(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000194342045 270297915 /nfs/dbraw/zinc/29/79/15/270297915.db2.gz UTDXELPQOMKDDL-LBPRGKRZSA-N 1 0 292.383 2.086 10 0 CEAERO C[C@H](CC[NH2+]C[C@@H]1CCCOC1)NC(=O)OC(C)(C)C ZINC000224803682 270309158 /nfs/dbraw/zinc/30/91/58/270309158.db2.gz QOCNMKXGIBHAFZ-OLZOCXBDSA-N 1 0 286.416 2.306 10 0 CEAERO COc1cc(NC(=O)[C@@]2(C)CCC[NH2+]2)ccc1Cl ZINC000232201597 270314585 /nfs/dbraw/zinc/31/45/85/270314585.db2.gz ZSAGEORRTSFBEW-CYBMUJFWSA-N 1 0 268.744 2.429 10 0 CEAERO CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)c1cccs1 ZINC000393023734 270341393 /nfs/dbraw/zinc/34/13/93/270341393.db2.gz SSDKVVQEMQEWAW-GARJFASQSA-N 1 0 252.383 2.456 10 0 CEAERO CCc1nc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)cs1 ZINC000398732290 270362120 /nfs/dbraw/zinc/36/21/20/270362120.db2.gz LRZNTVGYQVMEGJ-DMDPSCGWSA-N 1 0 266.410 2.298 10 0 CEAERO CC1(C)CCC[NH2+][C@H]1C(=O)N[C@H]1COc2ccccc21 ZINC000232947283 273579985 /nfs/dbraw/zinc/57/99/85/273579985.db2.gz UIDCPZBPRYWRRQ-JSGCOSHPSA-N 1 0 274.364 2.015 10 0 CEAERO C[C@@H]1CCCN(c2cnc3ccccc3n2)[C@H]1C[NH3+] ZINC000252114932 274291911 /nfs/dbraw/zinc/29/19/11/274291911.db2.gz IJTNSLQYHNUEQR-RISCZKNCSA-N 1 0 256.353 2.193 10 0 CEAERO Cc1cc(C)c2c(c1)N(C(=O)[C@H](C)C1C[NH2+]C1)CCC2 ZINC000262053525 274687424 /nfs/dbraw/zinc/68/74/24/274687424.db2.gz HQJFSEQPFQBFSZ-CYBMUJFWSA-N 1 0 272.392 2.438 10 0 CEAERO Fc1cc(Cl)cnc1N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261550961 274909496 /nfs/dbraw/zinc/90/94/96/274909496.db2.gz LQMXPGHPSAHISF-LDYMZIIASA-N 1 0 255.724 2.062 10 0 CEAERO [NH3+]Cc1ccccc1-c1ccc(Cn2cncn2)cc1 ZINC000022143265 274953909 /nfs/dbraw/zinc/95/39/09/274953909.db2.gz HJMVOPQMLXEGQO-UHFFFAOYSA-N 1 0 264.332 2.452 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@@H]2CCC[NH2+]C[C@H]2C1 ZINC000098090094 275520324 /nfs/dbraw/zinc/52/03/24/275520324.db2.gz XTHNUAFJOORFFY-RYUDHWBXSA-N 1 0 254.374 2.243 10 0 CEAERO CC(C)n1ccnc1CN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261893907 275787818 /nfs/dbraw/zinc/78/78/18/275787818.db2.gz VTUYSYQNOJRHCU-GFCCVEGCSA-N 1 0 250.390 2.023 10 0 CEAERO CCC[C@H](C(=O)NC[C@H](OC)c1ccccc1)[NH+](C)C ZINC000178651744 276038383 /nfs/dbraw/zinc/03/83/83/276038383.db2.gz WXFTXHUTKYENER-CABCVRRESA-N 1 0 278.396 2.221 10 0 CEAERO CC[NH+](CC)C[C@@H](C)N[C@@H]1CC(=O)N(C)c2ccccc21 ZINC000045693267 276104830 /nfs/dbraw/zinc/10/48/30/276104830.db2.gz VDAMTONGTKQSJI-UKRRQHHQSA-N 1 0 289.423 2.414 10 0 CEAERO CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@@H](C)[NH3+])o1 ZINC000157379336 276690707 /nfs/dbraw/zinc/69/07/07/276690707.db2.gz IJPCTNSJFYWJCN-LOWVWBTDSA-N 1 0 264.369 2.489 10 0 CEAERO Cn1ccnc1C[N@H+](C)C[C@H]1CCOc2ccccc2C1 ZINC000095529458 277000293 /nfs/dbraw/zinc/00/02/93/277000293.db2.gz FGVNKDLDWZVDQP-AWEZNQCLSA-N 1 0 285.391 2.493 10 0 CEAERO CC(=O)Nc1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1 ZINC000072397519 277074414 /nfs/dbraw/zinc/07/44/14/277074414.db2.gz KRPIUDZFESOZPM-GUYCJALGSA-N 1 0 287.407 2.314 10 0 CEAERO C[NH2+]C[C@H]1CCCN1c1cccc(C(F)(F)F)n1 ZINC000053704043 277285931 /nfs/dbraw/zinc/28/59/31/277285931.db2.gz JLVWYXLGGDCXHG-SECBINFHSA-N 1 0 259.275 2.289 10 0 CEAERO C[C@@H]([NH2+][C@H]1CCSC1)c1ccc(S(C)(=O)=O)cc1 ZINC000219241379 277634364 /nfs/dbraw/zinc/63/43/64/277634364.db2.gz HJTKKSLWKPQDJG-PWSUYJOCSA-N 1 0 285.434 2.246 10 0 CEAERO CC(C)[C@@H]1CN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CCS1 ZINC000246255106 277806045 /nfs/dbraw/zinc/80/60/45/277806045.db2.gz KGALBULMWHADQU-XQQFMLRXSA-N 1 0 270.442 2.104 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc2ccccc2c1O ZINC000312728731 278081739 /nfs/dbraw/zinc/08/17/39/278081739.db2.gz IUOFATXSQIPVAL-YGRLFVJLSA-N 1 0 270.332 2.107 10 0 CEAERO C[C@@H]([NH3+])CCNC(=O)C[C@@H]1CCCc2ccccc21 ZINC000178667891 278306557 /nfs/dbraw/zinc/30/65/57/278306557.db2.gz YXFBSNIUAAQBJZ-OCCSQVGLSA-N 1 0 260.381 2.350 10 0 CEAERO C[C@@H]([NH3+])[C@@H]1CCN(c2cccc(C(F)(F)F)n2)C1 ZINC000127304088 278314446 /nfs/dbraw/zinc/31/44/46/278314446.db2.gz HVFZODYFLDPDDM-RKDXNWHRSA-N 1 0 259.275 2.274 10 0 CEAERO C[C@H]1CC(NC(=O)[C@]2(C)CCCC[NH2+]2)C[C@H](C)C1 ZINC000136188644 278326189 /nfs/dbraw/zinc/32/61/89/278326189.db2.gz FRZYQXKDTKDYBH-JMSVASOKSA-N 1 0 252.402 2.460 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(F)c(F)c1 ZINC000105872287 278376296 /nfs/dbraw/zinc/37/62/96/278376296.db2.gz WDKFSRRCCVLDSE-MWLCHTKSSA-N 1 0 278.306 2.222 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@@H]2C[NH3+])CC1 ZINC000091304155 278393609 /nfs/dbraw/zinc/39/36/09/278393609.db2.gz KBQCLINUFRQRTK-RISCZKNCSA-N 1 0 254.374 2.372 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@]2(C[C@@H]2C[NH3+])CC1 ZINC000091304152 278397491 /nfs/dbraw/zinc/39/74/91/278397491.db2.gz KBQCLINUFRQRTK-BXUZGUMPSA-N 1 0 254.374 2.372 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@H](C)c2ccccc21 ZINC000261791566 278842122 /nfs/dbraw/zinc/84/21/22/278842122.db2.gz UYMLOVIJCUMDSV-OUCADQQQSA-N 1 0 258.365 2.382 10 0 CEAERO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)CC(C)(C)C1 ZINC000037982698 278919920 /nfs/dbraw/zinc/91/99/20/278919920.db2.gz SKZDUKMNAFAJMP-FRRDWIJNSA-N 1 0 273.442 2.226 10 0 CEAERO Cc1cnc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)o1 ZINC000374175918 279011786 /nfs/dbraw/zinc/01/17/86/279011786.db2.gz URZXIFJDTJWOEA-MCIONIFRSA-N 1 0 264.369 2.499 10 0 CEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000282289568 279027023 /nfs/dbraw/zinc/02/70/23/279027023.db2.gz IYFWKQPONNMSNE-CABZTGNLSA-N 1 0 286.297 2.462 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1cccc(F)c1Cl ZINC000261559333 279114660 /nfs/dbraw/zinc/11/46/60/279114660.db2.gz TXGFLDIXIOEELK-GMSGAONNSA-N 1 0 256.708 2.041 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ncc(F)cc1F ZINC000191963644 279133235 /nfs/dbraw/zinc/13/32/35/279133235.db2.gz DEDMMCZBHCZGAX-LLVKDONJSA-N 1 0 285.338 2.066 10 0 CEAERO C[C@H](CNC(=O)[C@@H]1CCCO[C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000249208044 279341142 /nfs/dbraw/zinc/34/11/42/279341142.db2.gz CDKCTLBICRISGE-APIJFGDWSA-N 1 0 282.428 2.038 10 0 CEAERO C[C@H](Cn1cccn1)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000343574823 279386570 /nfs/dbraw/zinc/38/65/70/279386570.db2.gz PJOYUXZAUZEVKQ-YIYPIFLZSA-N 1 0 251.374 2.065 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H](C(=O)N2C[C@@H]3CCCC[C@@H]3C2)C1 ZINC000237865005 279671473 /nfs/dbraw/zinc/67/14/73/279671473.db2.gz LALDQTPCQKFCAB-YIYPIFLZSA-N 1 0 250.386 2.153 10 0 CEAERO CCC[C@@H](C(=O)NCC[C@@H](OCC)C(C)C)[NH+](C)C ZINC000126712750 279840741 /nfs/dbraw/zinc/84/07/41/279840741.db2.gz GQVIRTORANHAOP-UONOGXRCSA-N 1 0 272.433 2.284 10 0 CEAERO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000249299842 280027984 /nfs/dbraw/zinc/02/79/84/280027984.db2.gz NUVIYVJGJUSBAX-ZOBORPQBSA-N 1 0 252.402 2.123 10 0 CEAERO O=C(Nc1nc2c(s1)C[NH2+]CC2)c1cc(Cl)c[nH]1 ZINC000036233181 280058012 /nfs/dbraw/zinc/05/80/12/280058012.db2.gz NFFNNCORAXFEEB-UHFFFAOYSA-N 1 0 282.756 2.023 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1cc2c(s1)CCCC2 ZINC000261560329 280113601 /nfs/dbraw/zinc/11/36/01/280113601.db2.gz FHGZAJKKSHWIBH-GXSJLCMTSA-N 1 0 264.394 2.189 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc3c(c2O)CCCC3)C1 ZINC000185820551 280126718 /nfs/dbraw/zinc/12/67/18/280126718.db2.gz REDOCUXSAAMBGR-ZDUSSCGKSA-N 1 0 288.391 2.047 10 0 CEAERO CCCC[C@@H](C(=O)OC)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000245475083 280243293 /nfs/dbraw/zinc/24/32/93/280243293.db2.gz ROCAAVSJJBXVNF-KGLIPLIRSA-N 1 0 270.417 2.134 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1scnc1C1CC1 ZINC000245854900 280262542 /nfs/dbraw/zinc/26/25/42/280262542.db2.gz JXNZFTJRGZFAQZ-PWSUYJOCSA-N 1 0 291.420 2.329 10 0 CEAERO C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000246104191 280274110 /nfs/dbraw/zinc/27/41/10/280274110.db2.gz QJXLNFMRDHLERF-BARDWOONSA-N 1 0 279.428 2.301 10 0 CEAERO COC(=O)[C@@H]1CCC[N@H+](CCN(C)c2ccccc2)C1 ZINC000246126608 280275642 /nfs/dbraw/zinc/27/56/42/280275642.db2.gz AQKZNTNUJYWMBH-CQSZACIVSA-N 1 0 276.380 2.008 10 0 CEAERO CCSCC[C@@H](C)NC(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000246368378 280289294 /nfs/dbraw/zinc/28/92/94/280289294.db2.gz QDACUQPYAZPDMT-OLZOCXBDSA-N 1 0 287.473 2.302 10 0 CEAERO CN(CCN1CC[N@@H+]2CCCC[C@H]2C1)c1ccccc1 ZINC000246752383 280308872 /nfs/dbraw/zinc/30/88/72/280308872.db2.gz ZJNQKHFUIJLACH-KRWDZBQOSA-N 1 0 273.424 2.293 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccncc1Cl ZINC000246917821 280314052 /nfs/dbraw/zinc/31/40/52/280314052.db2.gz IUSYCHVAAJSSGG-YPMHNXCESA-N 1 0 265.788 2.404 10 0 CEAERO CCOCC[N@@H+]1CCN(Cc2ccncc2Cl)C[C@H]1C ZINC000247519064 280332604 /nfs/dbraw/zinc/33/26/04/280332604.db2.gz NFFFFBUVSJKOKO-CYBMUJFWSA-N 1 0 297.830 2.278 10 0 CEAERO CCOC(=O)C1CCC(O)(C[N@@H+]2CC[C@H](C)[C@H]2C)CC1 ZINC000248744711 280362318 /nfs/dbraw/zinc/36/23/18/280362318.db2.gz FCZRAIMXNOQWTB-RNDNHVFHSA-N 1 0 283.412 2.201 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccnn2C)C12CCOCC2 ZINC000248877787 280371077 /nfs/dbraw/zinc/37/10/77/280371077.db2.gz JVYUTHWQFXXKDE-BPLDGKMQSA-N 1 0 293.411 2.045 10 0 CEAERO CC[C@H]1CC[C@H](C(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000248996901 280378734 /nfs/dbraw/zinc/37/87/34/280378734.db2.gz MHFVKRHFSBKYHZ-MGPQQGTHSA-N 1 0 252.402 2.365 10 0 CEAERO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CCC[C@@H]2C[NH3+])c(C)c1 ZINC000089091787 280396019 /nfs/dbraw/zinc/39/60/19/280396019.db2.gz DCWCDINWTIWRSR-ZIAGYGMSSA-N 1 0 296.436 2.018 10 0 CEAERO Brc1cc(CNC[C@@H]2CC[NH2+]C2)cs1 ZINC000397980229 280689136 /nfs/dbraw/zinc/68/91/36/280689136.db2.gz DZBXYRUDKJCAIW-MRVPVSSYSA-N 1 0 275.215 2.210 10 0 CEAERO CC(C)c1ccc(OCC(=O)N2CC[C@@H]([NH3+])[C@@H]2C)cc1 ZINC000423643066 281073899 /nfs/dbraw/zinc/07/38/99/281073899.db2.gz MAPUILMVXIBNTA-SWLSCSKDSA-N 1 0 276.380 2.137 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C)c(O)c1 ZINC000181143717 281191927 /nfs/dbraw/zinc/19/19/27/281191927.db2.gz XCXCGUUZZPWMIW-LSDHHAIUSA-N 1 0 288.391 2.399 10 0 CEAERO Cc1nc2c(c(N3C[C@H]4CCC[N@H+]4C[C@H]3C)n1)CCCC2 ZINC000302046565 282012268 /nfs/dbraw/zinc/01/22/68/282012268.db2.gz LBAXXTRZUGTZJM-TZMCWYRMSA-N 1 0 286.423 2.337 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)/C=C/c2cncc(C)c2)C1 ZINC000151552431 289061197 /nfs/dbraw/zinc/06/11/97/289061197.db2.gz JSFQTYKVIFHHCD-LQYUOIDQSA-N 1 0 273.380 2.004 10 0 CEAERO COc1cc([C@H](C)[NH2+]C[C@H](C)N2CCOCC2)ccc1F ZINC000152726100 289096256 /nfs/dbraw/zinc/09/62/56/289096256.db2.gz VLTUPQKRMHIMQC-STQMWFEESA-N 1 0 296.386 2.206 10 0 CEAERO COc1ccccc1/C=C/C[N@@H+]1CCC[C@H](NC(C)=O)C1 ZINC000153882645 289125663 /nfs/dbraw/zinc/12/56/63/289125663.db2.gz QAFYPZHJCPLIMK-WHWKNOJMSA-N 1 0 288.391 2.309 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc(N(C)C)c2)C1 ZINC000155427085 289174130 /nfs/dbraw/zinc/17/41/30/289174130.db2.gz YIJYIRPKGFNMPD-CJNGLKHVSA-N 1 0 289.423 2.211 10 0 CEAERO CC1CCC(CN2CCO[C@H](C[NH+](C)C)C2)CC1 ZINC000156650082 289199940 /nfs/dbraw/zinc/19/99/40/289199940.db2.gz XZPXXDWXPYJYGA-YMAMQOFZSA-N 1 0 254.418 2.075 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1cnn(Cc2ccccc2)c1 ZINC000309541738 289277911 /nfs/dbraw/zinc/27/79/11/289277911.db2.gz MDJPFEYVUORING-HNNXBMFYSA-N 1 0 298.390 2.260 10 0 CEAERO C[C@H](O)C[N@@H+]1CCN([C@@H](C)c2cc(F)ccc2F)C[C@@H]1C ZINC000247544875 290116401 /nfs/dbraw/zinc/11/64/01/290116401.db2.gz DJFHDMNNJXFDRM-AVGNSLFASA-N 1 0 298.377 2.413 10 0 CEAERO C[C@H](c1c(F)cccc1F)N(C)C(=O)[C@@H](C)C1C[NH2+]C1 ZINC000262207531 290212361 /nfs/dbraw/zinc/21/23/61/290212361.db2.gz NSDWKPTYYCAIKZ-VHSXEESVSA-N 1 0 282.334 2.340 10 0 CEAERO COc1ccc([C@@H]([NH2+][C@H]2CCC(=O)N(C)C2)C2CC2)cc1 ZINC000084062510 295217490 /nfs/dbraw/zinc/21/74/90/295217490.db2.gz IHSQGYADSUQJAP-YOEHRIQHSA-N 1 0 288.391 2.357 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1C(=O)c1cccc(Cl)c1F ZINC000131076236 295245983 /nfs/dbraw/zinc/24/59/83/295245983.db2.gz WEVRSPMZOQDZDX-VIFPVBQESA-N 1 0 270.735 2.433 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N1CCc2ccccc21 ZINC000246450166 297098012 /nfs/dbraw/zinc/09/80/12/297098012.db2.gz MRXORTGUCWRAIY-HIFRSBDPSA-N 1 0 285.391 2.338 10 0 CEAERO C[C@H]([NH2+]CC1CC(O)C1)c1cncc(Br)c1 ZINC000528018604 297778499 /nfs/dbraw/zinc/77/84/99/297778499.db2.gz NBHNHQVRNTVHAB-QTZUAFFRSA-N 1 0 285.185 2.266 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)C1(c2ccccc2)CCC1 ZINC000335500473 300703199 /nfs/dbraw/zinc/70/31/99/300703199.db2.gz PQHRBKCQPQPPFM-GXTWGEPZSA-N 1 0 258.365 2.056 10 0 CEAERO Cc1ccccc1CC(=O)NCC[C@H]1CCCC[NH2+]1 ZINC000019516670 302095520 /nfs/dbraw/zinc/09/55/20/302095520.db2.gz NVZSZZVUMRYROZ-OAHLLOKOSA-N 1 0 260.381 2.186 10 0 CEAERO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000191344174 302159169 /nfs/dbraw/zinc/15/91/69/302159169.db2.gz HMRJEDOOVFJOKC-SNPRPXQTSA-N 1 0 258.365 2.048 10 0 CEAERO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000130084064 302162322 /nfs/dbraw/zinc/16/23/22/302162322.db2.gz XDWHXZSUDCMNFL-KBMXLJTQSA-N 1 0 272.392 2.214 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000061883011 303423728 /nfs/dbraw/zinc/42/37/28/303423728.db2.gz WNDBSBNWUHSKGJ-JQOLXWHASA-N 1 0 276.424 2.446 10 0 CEAERO OC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000300740991 304828935 /nfs/dbraw/zinc/82/89/35/304828935.db2.gz VSUPDMBRAFNPLQ-MELADBBJSA-N 1 0 253.386 2.229 10 0 CEAERO OCC[C@@H]1CC[N@H+](Cc2cccnc2C(F)(F)F)C1 ZINC000528392889 313250508 /nfs/dbraw/zinc/25/05/08/313250508.db2.gz UMPNQFIIGGCWII-JTQLQIEISA-N 1 0 274.286 2.305 10 0 CEAERO Cc1nc(NCCC[NH2+]C(C)C)ccc1Br ZINC000573467615 314159876 /nfs/dbraw/zinc/15/98/76/314159876.db2.gz MEJSCSQPVPCKKG-UHFFFAOYSA-N 1 0 286.217 2.374 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)N1CCC[C@H]1C1CCC1 ZINC000577124177 314344484 /nfs/dbraw/zinc/34/44/84/314344484.db2.gz IXWPYHZRGGTCCJ-OCCSQVGLSA-N 1 0 250.386 2.167 10 0 CEAERO Cc1cc(C)n(C[C@@H]2CN(c3cc[nH+]cc3C)CCO2)n1 ZINC000191980832 321792526 /nfs/dbraw/zinc/79/25/26/321792526.db2.gz NDBZSKHEFGHZGR-HNNXBMFYSA-N 1 0 286.379 2.109 10 0 CEAERO [NH3+]C[C@H]1CC[C@H](Nc2ccc(OC(F)F)cn2)C1 ZINC000382446807 321840030 /nfs/dbraw/zinc/84/00/30/321840030.db2.gz BFZUXHSPZHXMMO-IUCAKERBSA-N 1 0 257.284 2.222 10 0 CEAERO Cc1nnsc1CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000384304221 321851470 /nfs/dbraw/zinc/85/14/70/321851470.db2.gz ZYRHTKVAIXIKER-RWMBFGLXSA-N 1 0 280.441 2.247 10 0 CEAERO C[C@H](CC[NH2+][C@@H]1C[C@H](C)O[C@@H]1C)NC(=O)OC(C)(C)C ZINC000385101166 321857901 /nfs/dbraw/zinc/85/79/01/321857901.db2.gz HQYPOSBCPAGFON-YVECIDJPSA-N 1 0 286.416 2.445 10 0 CEAERO CC(C)[C@]1(C)C[C@H]1[NH2+]C[C@@H](O)COCc1ccco1 ZINC000397202039 329344432 /nfs/dbraw/zinc/34/44/32/329344432.db2.gz WNEMIEUBLIHCJK-YUELXQCFSA-N 1 0 267.369 2.181 10 0 CEAERO CC(C)[NH2+]C[C@H](CCS(C)(=O)=O)Cc1ccccc1 ZINC000052952990 519724600 /nfs/dbraw/zinc/72/46/00/519724600.db2.gz XGMZEUUIJSVOBY-OAHLLOKOSA-N 1 0 283.437 2.278 10 0 CEAERO CC(C)[NH2+]Cc1cnn([C@H]2CCCCC[C@H]2O)c1 ZINC000054600478 519728312 /nfs/dbraw/zinc/72/83/12/519728312.db2.gz GNAHTGWYYAWMFW-UONOGXRCSA-N 1 0 251.374 2.247 10 0 CEAERO CCCC1CC[NH+](CC[C@@](C)(N)C(=O)OCC)CC1 ZINC000050905723 519901710 /nfs/dbraw/zinc/90/17/10/519901710.db2.gz TZYDIMLKZHDWFD-OAHLLOKOSA-N 1 0 270.417 2.169 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N(Cc1ccc(C)o1)C1CC1 ZINC000061295599 519904145 /nfs/dbraw/zinc/90/41/45/519904145.db2.gz NBEVXWPJSFQOHO-UHFFFAOYSA-N 1 0 264.369 2.467 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1ccc(OCC)c(OC)c1 ZINC000061291938 519907530 /nfs/dbraw/zinc/90/75/30/519907530.db2.gz UQFFWDLXCMGIBP-UHFFFAOYSA-N 1 0 280.368 2.421 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N[C@@H](C)CCc1ccco1 ZINC000061298529 519905520 /nfs/dbraw/zinc/90/55/20/519905520.db2.gz RHVLNJNKEIPAOQ-NSHDSACASA-N 1 0 252.358 2.105 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)NCCSc1ccccc1 ZINC000061266166 519936550 /nfs/dbraw/zinc/93/65/50/519936550.db2.gz RQFSAUDWMBHKKT-GFCCVEGCSA-N 1 0 266.410 2.141 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N[C@@H]1CCCc2occc21 ZINC000061267242 519937302 /nfs/dbraw/zinc/93/73/02/519937302.db2.gz MMUFZJTWSSBABY-ZYHUDNBSSA-N 1 0 250.342 2.019 10 0 CEAERO CCC[NH2+]Cc1cnc(N(C)C2CCOCC2)s1 ZINC000054904584 519962424 /nfs/dbraw/zinc/96/24/24/519962424.db2.gz CAABMNYFYIOFSO-UHFFFAOYSA-N 1 0 269.414 2.258 10 0 CEAERO CCC[NH2+]Cc1sc(N(C)[C@H](C)COC)nc1C ZINC000054998804 519975740 /nfs/dbraw/zinc/97/57/40/519975740.db2.gz WUYQTWXXBFUXNE-SNVBAGLBSA-N 1 0 271.430 2.422 10 0 CEAERO CC[NH2+]C[C@H]1CC[C@@H](CN(CC(F)(F)F)C(C)C)O1 ZINC000052502886 519978258 /nfs/dbraw/zinc/97/82/58/519978258.db2.gz OEGYERIPSYZARH-NEPJUHHUSA-N 1 0 282.350 2.416 10 0 CEAERO CC[NH2+]Cc1nnnn1-c1cc(Cl)cc(Cl)c1 ZINC000054744694 520024738 /nfs/dbraw/zinc/02/47/38/520024738.db2.gz WSFZUGRZXFEVCR-UHFFFAOYSA-N 1 0 272.139 2.079 10 0 CEAERO CC[NH2+]Cc1sc(N2CCSCC2)nc1C ZINC000054996156 520033942 /nfs/dbraw/zinc/03/39/42/520033942.db2.gz DWOFGPVDGPVGHP-UHFFFAOYSA-N 1 0 257.428 2.114 10 0 CEAERO CCC[NH2+][C@H](CC[N@H+](C)C1CCCCC1)C(=O)[O-] ZINC000062442989 520069301 /nfs/dbraw/zinc/06/93/01/520069301.db2.gz MNHPVSYIIJMZAX-CYBMUJFWSA-N 1 0 256.390 2.094 10 0 CEAERO CCCN[C@H](CC[N@H+](CC)[C@@H](C)CC)C(=O)OC ZINC000062446586 520072037 /nfs/dbraw/zinc/07/20/37/520072037.db2.gz MZKDOHMQYWBOLP-QWHCGFSZSA-N 1 0 258.406 2.038 10 0 CEAERO CCN[C@@H](CC[N@H+](C)C1CCC(CC)CC1)C(=O)OC ZINC000062526014 520083065 /nfs/dbraw/zinc/08/30/65/520083065.db2.gz VNZKPOYUGNFHCK-NRXISQOPSA-N 1 0 284.444 2.428 10 0 CEAERO CCC[NH2+][C@H](CSCc1cccc(C)c1)C(N)=O ZINC000054966455 520084380 /nfs/dbraw/zinc/08/43/80/520084380.db2.gz HTQXOFDGLXWTDJ-CYBMUJFWSA-N 1 0 266.410 2.082 10 0 CEAERO CC[NH2+][C@@](C)(CO)c1ccc(F)c(Br)c1 ZINC000061689757 520136172 /nfs/dbraw/zinc/13/61/72/520136172.db2.gz NLVHHBUHGUWFQA-NSHDSACASA-N 1 0 276.149 2.405 10 0 CEAERO CC[NH2+][C@@](C)(C[C@@H](C)Sc1cccc(OC)c1)C(N)=O ZINC000068634254 520142005 /nfs/dbraw/zinc/14/20/05/520142005.db2.gz NFAITBODKLDVJJ-ABAIWWIYSA-N 1 0 296.436 2.419 10 0 CEAERO CC[NH2+][C@@](C)(C[C@H](C)Oc1ccc(C)c(C)c1)C(N)=O ZINC000068656042 520147092 /nfs/dbraw/zinc/14/70/92/520147092.db2.gz RSIZTTYVEHAWSN-BBRMVZONSA-N 1 0 278.396 2.314 10 0 CEAERO CCN[C@@](C[N@H+](C)CC1CCC1)(C(=O)OCC)C1CC1 ZINC000069231933 520150011 /nfs/dbraw/zinc/15/00/11/520150011.db2.gz KIUBEZPYMMHKOB-MRXNPFEDSA-N 1 0 282.428 2.040 10 0 CEAERO CCOC[C@H](O)COc1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000069275955 520164113 /nfs/dbraw/zinc/16/41/13/520164113.db2.gz GHROUGOPIVRXAE-AWEZNQCLSA-N 1 0 281.396 2.351 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)NCc1ccc(Cl)cc1 ZINC000061269282 520165672 /nfs/dbraw/zinc/16/56/72/520165672.db2.gz ALTXLAIAUMZJHD-SNVBAGLBSA-N 1 0 254.761 2.344 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)NCCCN(C)c1ccccc1 ZINC000061268867 520165724 /nfs/dbraw/zinc/16/57/24/520165724.db2.gz CLVAXFMPLXAVDM-CQSZACIVSA-N 1 0 277.412 2.017 10 0 CEAERO CCCCOCCOC[C@@H]1CC[C@H](C[NH2+]C(C)C)O1 ZINC000052629034 520789768 /nfs/dbraw/zinc/78/97/68/520789768.db2.gz AOQXOXFGURBNAX-CABCVRRESA-N 1 0 273.417 2.365 10 0 CEAERO CCN(CC)c1nc(C)c(C[NH2+]C(C)C)c(C)n1 ZINC000054854328 520925338 /nfs/dbraw/zinc/92/53/38/520925338.db2.gz IUVLCKZELDBREQ-UHFFFAOYSA-N 1 0 250.390 2.438 10 0 CEAERO CCC(C)(C)N(C)CC(=O)c1ccc(O)cc1O ZINC000069441453 521299700 /nfs/dbraw/zinc/29/97/00/521299700.db2.gz WHRALEIAIRNZQV-UHFFFAOYSA-N 1 0 251.326 2.401 10 0 CEAERO CCC(C)(C)[N@H+](C)C[C@](N)(C(=O)OC)c1ccccc1 ZINC000069443448 521305514 /nfs/dbraw/zinc/30/55/14/521305514.db2.gz ZOGMFAZJXDZVFR-MRXNPFEDSA-N 1 0 278.396 2.134 10 0 CEAERO CCCc1nc(N2CCO[C@H](C)C2)sc1C[NH2+]CC ZINC000054995661 521534876 /nfs/dbraw/zinc/53/48/76/521534876.db2.gz JBFOIUWSZYLQDE-LLVKDONJSA-N 1 0 283.441 2.430 10 0 CEAERO CCS(=O)(=O)CC[C@H](C[NH3+])Cc1ccccc1Cl ZINC000052948572 521646073 /nfs/dbraw/zinc/64/60/73/521646073.db2.gz XJZDDHBELQDDGA-NSHDSACASA-N 1 0 289.828 2.282 10 0 CEAERO CCC[N@H+](CC[C@@H](NCC)C(=O)OCC)CC1CC1 ZINC000062459976 521670057 /nfs/dbraw/zinc/67/00/57/521670057.db2.gz KQGANJNVGBWETC-CQSZACIVSA-N 1 0 270.417 2.040 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N1CCC[C@@H]1Cc1ccccc1 ZINC000061317052 521932983 /nfs/dbraw/zinc/93/29/83/521932983.db2.gz IDKGSVJDTPWOLW-CQSZACIVSA-N 1 0 260.381 2.218 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N[C@@H](C)c1cc(F)ccc1OC ZINC000061316407 521936429 /nfs/dbraw/zinc/93/64/29/521936429.db2.gz UQMCSKBIRMXLEA-VIFPVBQESA-N 1 0 268.332 2.010 10 0 CEAERO CC[C@@H](C)CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C)c1 ZINC000054489147 521998038 /nfs/dbraw/zinc/99/80/38/521998038.db2.gz BCDCJVRQPGJHOP-NEPJUHHUSA-N 1 0 284.425 2.291 10 0 CEAERO C[NH2+]C[C@@H](OC[C@@H]1CCCO1)c1ccccc1F ZINC000050494515 522035659 /nfs/dbraw/zinc/03/56/59/522035659.db2.gz JMBOYAUMZBBDGO-SMDDNHRTSA-N 1 0 253.317 2.282 10 0 CEAERO C[NH2+]C[C@H](CC(C)C)[C@H]1CS(=O)(=O)c2ccccc21 ZINC000052967706 522073447 /nfs/dbraw/zinc/07/34/47/522073447.db2.gz QJVWQSFBPGNOTR-GXTWGEPZSA-N 1 0 281.421 2.439 10 0 CEAERO C[NH2+]C[C@H](CCC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000052950260 522074479 /nfs/dbraw/zinc/07/44/79/522074479.db2.gz HTPLCRXSSCNIGL-RYUDHWBXSA-N 1 0 261.431 2.083 10 0 CEAERO C[NH2+]C[C@H]1CCCN(CC(=O)c2ccc(C)cc2)C1 ZINC000050158848 522085280 /nfs/dbraw/zinc/08/52/80/522085280.db2.gz PDQQBNCLSGSEKZ-CQSZACIVSA-N 1 0 260.381 2.109 10 0 CEAERO C[NH2+]Cc1cnc(N2C[C@H](C)O[C@@H](C)C2)c(Cl)c1 ZINC000051399808 522149616 /nfs/dbraw/zinc/14/96/16/522149616.db2.gz KZLVEYFOFKQCIS-UWVGGRQHSA-N 1 0 269.776 2.068 10 0 CEAERO C[NH2+]Cc1nc(C(C)C)ncc1N(C)[C@H]1CCSC1 ZINC000051442336 522152551 /nfs/dbraw/zinc/15/25/51/522152551.db2.gz HGSACBJAVMTNMG-NSHDSACASA-N 1 0 280.441 2.261 10 0 CEAERO COC(=O)c1cc(C[N@@H+]2CCC[C@H]2CCCO)cs1 ZINC000411218528 533793022 /nfs/dbraw/zinc/79/30/22/533793022.db2.gz OOLXYNWMYHKUHA-LBPRGKRZSA-N 1 0 283.393 2.272 10 0 CEAERO COC[C@@H](C)N(C)Cc1csc(C[NH2+]C(C)(C)C)n1 ZINC000052511279 522221169 /nfs/dbraw/zinc/22/11/69/522221169.db2.gz AOZFJWHGRPYAFI-LLVKDONJSA-N 1 0 285.457 2.498 10 0 CEAERO CCc1nc(N(C)[C@@H]2CCSC2)sc1C[NH2+]C ZINC000054997008 522380807 /nfs/dbraw/zinc/38/08/07/522380807.db2.gz LYWTUWWTIGFVOY-SECBINFHSA-N 1 0 271.455 2.367 10 0 CEAERO CCc1nc(N(C)[C@H](C)COC)sc1C[NH2+]C1CC1 ZINC000054998834 522381041 /nfs/dbraw/zinc/38/10/41/522381041.db2.gz WJLLXTGSKFPVEC-SNVBAGLBSA-N 1 0 283.441 2.429 10 0 CEAERO CCN[C@@]1(C(N)=O)CCC[C@H]([NH+](CC(C)C)CC(C)C)C1 ZINC000093751230 517668816 /nfs/dbraw/zinc/66/88/16/517668816.db2.gz ARSKSOWFDLCEHA-RDJZCZTQSA-N 1 0 297.487 2.377 10 0 CEAERO C(CN1CCO[C@@H]2CCC[C@@H]21)[NH2+]CC1CCCC1 ZINC000053425743 518389306 /nfs/dbraw/zinc/38/93/06/518389306.db2.gz RITMZCJUYSFDQJ-LSDHHAIUSA-N 1 0 252.402 2.020 10 0 CEAERO CC(=O)c1cnc(N2CCN(CC(C)C)CC2)s1 ZINC000055076160 518480265 /nfs/dbraw/zinc/48/02/65/518480265.db2.gz KUHYUDILUYRETK-UHFFFAOYSA-N 1 0 267.398 2.124 10 0 CEAERO CC(C)(C)[NH2+]CCCN(CCO)Cc1ccccc1 ZINC000050515553 518755920 /nfs/dbraw/zinc/75/59/20/518755920.db2.gz XWISZRYOLGGFDK-UHFFFAOYSA-N 1 0 264.413 2.259 10 0 CEAERO CC(C)(C)[NH2+]CCN1C(=O)CCc2ccc(F)cc21 ZINC000048784707 518757449 /nfs/dbraw/zinc/75/74/49/518757449.db2.gz QOCOOGAKXBLHDE-UHFFFAOYSA-N 1 0 264.344 2.493 10 0 CEAERO CC(C)(C)[NH2+]CCc1nnc(-c2ccc3c(c2)OCO3)o1 ZINC000050620672 518758677 /nfs/dbraw/zinc/75/86/77/518758677.db2.gz HFAWBCWRDRKUKY-UHFFFAOYSA-N 1 0 289.335 2.396 10 0 CEAERO CC(C)(C)[NH2+]Cc1c(Cl)cccc1N1CCNC(=O)C1 ZINC000062734820 518762458 /nfs/dbraw/zinc/76/24/58/518762458.db2.gz PQKKEOJYNPNING-UHFFFAOYSA-N 1 0 295.814 2.164 10 0 CEAERO CC(C)(C)[NH2+]Cc1ccccc1N1CCC[C@H]1C(N)=O ZINC000062735009 518766786 /nfs/dbraw/zinc/76/67/86/518766786.db2.gz AOVKZCNUALDTLG-AWEZNQCLSA-N 1 0 275.396 2.029 10 0 CEAERO CC(C)(C)[NH2+]Cc1ccccc1N1CCC(C(N)=O)CC1 ZINC000062734527 518766903 /nfs/dbraw/zinc/76/69/03/518766903.db2.gz KNTYITNSCPMOJS-UHFFFAOYSA-N 1 0 289.423 2.276 10 0 CEAERO CC(C)(C)SCC(=O)N[C@@H]1CCCCC[C@H]1[NH3+] ZINC000063212428 518905872 /nfs/dbraw/zinc/90/58/72/518905872.db2.gz LVSFZXQOYRQWEF-GHMZBOCLSA-N 1 0 258.431 2.294 10 0 CEAERO CC(C)(C)c1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000063175299 519045391 /nfs/dbraw/zinc/04/53/91/519045391.db2.gz QRIUEFREHIVVAC-KBPBESRZSA-N 1 0 296.436 2.142 10 0 CEAERO CC(C)(C)c1noc(CN2CCC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000051359760 519134720 /nfs/dbraw/zinc/13/47/20/519134720.db2.gz ODOBRNRRVDPPBZ-NWDGAFQWSA-N 1 0 278.400 2.084 10 0 CEAERO CC(C)(C)n1ccnc(Oc2ccc(C[NH3+])cc2)c1=O ZINC000061770621 519168149 /nfs/dbraw/zinc/16/81/49/519168149.db2.gz PNBPPIYCURXAKS-UHFFFAOYSA-N 1 0 273.336 2.249 10 0 CEAERO CC(C)C[C@@H]([NH3+])[C@@H](O)c1cnn(-c2ccccc2)c1 ZINC000054929522 519225843 /nfs/dbraw/zinc/22/58/43/519225843.db2.gz HNIAKCMXDZNEOV-CABCVRRESA-N 1 0 259.353 2.279 10 0 CEAERO Cc1nc(C[C@@H]2CCC[N@H+](CCOCC3CC3)C2)no1 ZINC000172771254 534411497 /nfs/dbraw/zinc/41/14/97/534411497.db2.gz GBGZQPSGYRUOGF-AWEZNQCLSA-N 1 0 279.384 2.059 10 0 CEAERO CC(C)C[C@@H]1C[NH2+][C@H](C(C)C)CN1Cc1ncccn1 ZINC000068703311 519274142 /nfs/dbraw/zinc/27/41/42/519274142.db2.gz FKZQDIZPGZIWNP-CABCVRRESA-N 1 0 276.428 2.321 10 0 CEAERO CC(C)C[C@H](CN(C)C)[NH2+]CC(=O)Nc1ccccc1F ZINC000049555995 519340187 /nfs/dbraw/zinc/34/01/87/519340187.db2.gz KOFSNVSXBGMBDW-CYBMUJFWSA-N 1 0 295.402 2.330 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)Nc1cc2c(cc1N)CC(=O)N2 ZINC000049555034 519343208 /nfs/dbraw/zinc/34/32/08/519343208.db2.gz POTLIOGWXNTVBE-GFCCVEGCSA-N 1 0 290.411 2.152 10 0 CEAERO CC(C)C[C@H]1C[NH2+][C@H](C(C)C)CN1Cc1ncccn1 ZINC000068703313 519414366 /nfs/dbraw/zinc/41/43/66/519414366.db2.gz FKZQDIZPGZIWNP-GJZGRUSLSA-N 1 0 276.428 2.321 10 0 CEAERO CC(C)Cn1cnnc1CC1(C[NH3+])CCCCC1 ZINC000054526296 519531781 /nfs/dbraw/zinc/53/17/81/519531781.db2.gz VMALWAMFNZCLBP-UHFFFAOYSA-N 1 0 250.390 2.386 10 0 CEAERO CC(C)C1CCC(C[NH3+])(N2CCOC[C@H]2C)CC1 ZINC000054557035 519560192 /nfs/dbraw/zinc/56/01/92/519560192.db2.gz MAHUSWRQNHQBMJ-WLYUNCDWSA-N 1 0 254.418 2.251 10 0 CEAERO CC(C)C1CCC(C[NH3+])(N2CCOC[C@@H]2C)CC1 ZINC000054557036 519560396 /nfs/dbraw/zinc/56/03/96/519560396.db2.gz MAHUSWRQNHQBMJ-NFOMZHRRSA-N 1 0 254.418 2.251 10 0 CEAERO CC(C)N(CC(F)(F)F)[C@H](C)C[NH2+]C[C@@H]1CCCO1 ZINC000053494445 519638778 /nfs/dbraw/zinc/63/87/78/519638778.db2.gz CVKXBRCTQDBVHV-NEPJUHHUSA-N 1 0 282.350 2.416 10 0 CEAERO CC(C)N(CC(N)=O)c1ccc(F)cc1C[NH2+]C(C)(C)C ZINC000062737560 519640440 /nfs/dbraw/zinc/64/04/40/519640440.db2.gz LLPYOINZDMEPBW-UHFFFAOYSA-N 1 0 295.402 2.414 10 0 CEAERO CC(C)[N@@H+](Cc1ccnc(C(N)=S)c1)CC1CC1 ZINC000068752545 519662291 /nfs/dbraw/zinc/66/22/91/519662291.db2.gz QMKBBPCHFNKOQH-UHFFFAOYSA-N 1 0 263.410 2.336 10 0 CEAERO CC(C)N(Cc1cc[nH+]c(NN)c1)CC(F)(F)F ZINC000052718915 519662769 /nfs/dbraw/zinc/66/27/69/519662769.db2.gz UNDRTNXUPAFMLF-UHFFFAOYSA-N 1 0 262.279 2.140 10 0 CEAERO CC(C)CCOCC[NH2+][C@@H]1CCN2CCCC[C@H]12 ZINC000049564842 519669015 /nfs/dbraw/zinc/66/90/15/519669015.db2.gz QDRYOLKUXCPLNE-HUUCEWRRSA-N 1 0 254.418 2.266 10 0 CEAERO CC(C)[NH+]1CCN(Cc2ccc(Cl)cc2N)CC1 ZINC000050442961 519682312 /nfs/dbraw/zinc/68/23/12/519682312.db2.gz VWZHHEBYQQRCOK-UHFFFAOYSA-N 1 0 267.804 2.448 10 0 CEAERO CC(C)[NH2+]CC1(CN2CCO[C@@H]3CCC[C@@H]32)CCOCC1 ZINC000052182850 519719672 /nfs/dbraw/zinc/71/96/72/519719672.db2.gz PMZXKJQVFPVUHM-JKSUJKDBSA-N 1 0 296.455 2.035 10 0 CEAERO CC(C)[NH2+]CCCc1nnc(-c2ccc3c(c2)OCO3)o1 ZINC000050617547 519721402 /nfs/dbraw/zinc/72/14/02/519721402.db2.gz DKFBNLBIPRTSKK-UHFFFAOYSA-N 1 0 289.335 2.396 10 0 CEAERO CC(C)[NH2+]C[C@@H](Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000052951212 519723017 /nfs/dbraw/zinc/72/30/17/519723017.db2.gz HJBKZCALYIRYST-JKSUJKDBSA-N 1 0 295.448 2.278 10 0 CEAERO CC(C)[NH2+]Cc1nnnn1[C@@H](C)c1cccc(Cl)c1 ZINC000054747764 519729494 /nfs/dbraw/zinc/72/94/94/519729494.db2.gz JVCKOJMHFOCBCD-JTQLQIEISA-N 1 0 279.775 2.434 10 0 CEAERO CC(C)[NH2+][C@@H](CCO[C@@H]1CCCc2ccccc21)C(N)=O ZINC000062544546 519734825 /nfs/dbraw/zinc/73/48/25/519734825.db2.gz FAENNNWEIKRMLF-JKSUJKDBSA-N 1 0 290.407 2.323 10 0 CEAERO CC(C)[NH2+][C@@](CO[C@@H]1CCC[C@@H](C)C1)(C(N)=O)C1CC1 ZINC000069195367 519737638 /nfs/dbraw/zinc/73/76/38/519737638.db2.gz WXTXRUVOVHCJDN-XNRPHZJLSA-N 1 0 282.428 2.214 10 0 CEAERO CC(C)C[NH2+]C[C@@H](C(C)C)N1C[C@H](C)O[C@@H](C)C1 ZINC000052380066 519744543 /nfs/dbraw/zinc/74/45/43/519744543.db2.gz IJWOETKDGIDAKV-KKUMJFAQSA-N 1 0 256.434 2.366 10 0 CEAERO CC(C)OC(=O)COc1cc(F)ccc1[C@H](C)[NH3+] ZINC000062745117 519747482 /nfs/dbraw/zinc/74/74/82/519747482.db2.gz RAMVSBSVAJIUMS-VIFPVBQESA-N 1 0 255.289 2.176 10 0 CEAERO CC(C)C[NH2+]Cc1cnc(Cc2ccccn2)nc1 ZINC000054856647 519748347 /nfs/dbraw/zinc/74/83/47/519748347.db2.gz KACJRLVTYAPEME-UHFFFAOYSA-N 1 0 256.353 2.208 10 0 CEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc2c[nH]nc2c1 ZINC000061670581 519775678 /nfs/dbraw/zinc/77/56/78/519775678.db2.gz NBPCVUMASZBJQH-AWEZNQCLSA-N 1 0 288.395 2.269 10 0 CEAERO CC(C)Oc1cccc(C(=O)NC[C@H]2CCCC[NH2+]2)c1 ZINC000061666086 519782392 /nfs/dbraw/zinc/78/23/92/519782392.db2.gz JEAOYUHLCVNQSA-CQSZACIVSA-N 1 0 276.380 2.346 10 0 CEAERO CC(C)[C@@H]1CCC(=O)[C@@H](C[NH+]2CCC(CO)CC2)C1 ZINC000054558811 519801771 /nfs/dbraw/zinc/80/17/71/519801771.db2.gz NEZIPMQNXIAMKX-HUUCEWRRSA-N 1 0 267.413 2.332 10 0 CEAERO CC(C)[C@H](CN(C)C)[NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000049197184 519814877 /nfs/dbraw/zinc/81/48/77/519814877.db2.gz YIFQMYANFDIFES-NHYWBVRUSA-N 1 0 290.411 2.093 10 0 CEAERO CC(C)[C@H](C[NH2+]C1CC1)N(C)CCc1ccncc1 ZINC000052483016 519815885 /nfs/dbraw/zinc/81/58/85/519815885.db2.gz LOJLNMWDMIPYGL-INIZCTEOSA-N 1 0 261.413 2.333 10 0 CEAERO CCC[NH+]1CCC(NC(=O)c2cc(N)c(C)s2)CC1 ZINC000049550904 519846252 /nfs/dbraw/zinc/84/62/52/519846252.db2.gz RNJRFNWEEAGKHD-UHFFFAOYSA-N 1 0 281.425 2.243 10 0 CEAERO CCC[NH+]1CCC(O)([C@H](C(=O)OCC)C(C)C)CC1 ZINC000052254638 519847925 /nfs/dbraw/zinc/84/79/25/519847925.db2.gz RZVOIQLTXARENR-ZDUSSCGKSA-N 1 0 271.401 2.059 10 0 CEAERO CCC[NH+]1CCN(C(=O)c2cccc3c2NCCC3)CC1 ZINC000050957398 519856859 /nfs/dbraw/zinc/85/68/59/519856859.db2.gz APHVOEUJYQQDOQ-UHFFFAOYSA-N 1 0 287.407 2.213 10 0 CEAERO CCCC1(C(=O)N2CCC[C@@H](OCC)C2)CC[NH2+]CC1 ZINC000062850003 519887391 /nfs/dbraw/zinc/88/73/91/519887391.db2.gz NCTUPPSAUZUIIH-CQSZACIVSA-N 1 0 282.428 2.184 10 0 CEAERO CCCNC(=O)[C@@H](C)Oc1cc(F)ccc1[C@@H](C)[NH3+] ZINC000062745686 519888748 /nfs/dbraw/zinc/88/87/48/519888748.db2.gz HYXIUJUWAKCESG-NXEZZACHSA-N 1 0 268.332 2.139 10 0 CEAERO CCCNC(=O)[C@@H](C)Oc1cccc2c1CC[C@@H]2[NH2+]C ZINC000062799276 519889168 /nfs/dbraw/zinc/88/91/68/519889168.db2.gz YRVUIVNUNZLSRV-RISCZKNCSA-N 1 0 276.380 2.187 10 0 CEAERO CCCC1(c2nnc3n2CCCCC3)CC[NH2+]CC1 ZINC000062845555 519893158 /nfs/dbraw/zinc/89/31/58/519893158.db2.gz FTVUSAQJNLFLSF-UHFFFAOYSA-N 1 0 262.401 2.426 10 0 CEAERO CCOCCC[NH2+]CCOc1cc(F)cc(F)c1 ZINC000054934890 519897060 /nfs/dbraw/zinc/89/70/60/519897060.db2.gz JKLDNTSSVQYGDG-UHFFFAOYSA-N 1 0 259.296 2.360 10 0 CEAERO CCCC1CCC([NH2+]C[C@@H](O)COc2cnsn2)CC1 ZINC000049545127 519898691 /nfs/dbraw/zinc/89/86/91/519898691.db2.gz YDLXXATYRZPVCW-WXRRBKDZSA-N 1 0 299.440 2.226 10 0 CEAERO CCCC1CC[NH+](C[C@](NC)(C(=O)OCC)C2CC2)CC1 ZINC000069231676 519902074 /nfs/dbraw/zinc/90/20/74/519902074.db2.gz SYJIHMRCSQSRCV-QGZVFWFLSA-N 1 0 296.455 2.430 10 0 CEAERO CCCC1CC[NH+](C[C@@](N)(C(=O)OCC)C2CC2)CC1 ZINC000069231663 519902377 /nfs/dbraw/zinc/90/23/77/519902377.db2.gz NSBDBUUUGVWTQZ-INIZCTEOSA-N 1 0 282.428 2.169 10 0 CEAERO CCCC1CC[NH+](C[C@H](NCC)C(=O)OCC)CC1 ZINC000050905865 519902395 /nfs/dbraw/zinc/90/23/95/519902395.db2.gz UVSAWKLRPQBEHX-AWEZNQCLSA-N 1 0 270.417 2.040 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N(C)Cc1ccc(F)cc1 ZINC000061289454 519903256 /nfs/dbraw/zinc/90/32/56/519903256.db2.gz ZZUOAMZOTXMGHG-UHFFFAOYSA-N 1 0 252.333 2.172 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N(CC(F)(F)F)C(C)C ZINC000061295458 519903405 /nfs/dbraw/zinc/90/34/05/519903405.db2.gz GKJKNIPXRKRZIG-UHFFFAOYSA-N 1 0 254.296 2.174 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N(C)CCOc1ccc(C)cc1 ZINC000061294377 519903558 /nfs/dbraw/zinc/90/35/58/519903558.db2.gz OZTASWUHRUORKO-UHFFFAOYSA-N 1 0 278.396 2.220 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N1CCN(c2ccccc2C)CC1 ZINC000061298889 519904547 /nfs/dbraw/zinc/90/45/47/519904547.db2.gz QKZYMFKBQJAAKY-UHFFFAOYSA-N 1 0 289.423 2.032 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1ccc(C)cc1C(=O)OC ZINC000061290695 519906511 /nfs/dbraw/zinc/90/65/11/519906511.db2.gz WESUVHRNLAONLY-UHFFFAOYSA-N 1 0 278.352 2.108 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1cccc(-c2n[nH]c(C)n2)c1 ZINC000061293787 519907583 /nfs/dbraw/zinc/90/75/83/519907583.db2.gz FYJPXZXJAQNRDQ-UHFFFAOYSA-N 1 0 287.367 2.107 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1cnc2c(cnn2C(C)C)c1 ZINC000061298728 519908044 /nfs/dbraw/zinc/90/80/44/519908044.db2.gz HDEORGNNJFGIJW-UHFFFAOYSA-N 1 0 289.383 2.339 10 0 CEAERO CCC[NH2+]CCCc1c(C)nc(-c2cnccn2)nc1C ZINC000054837664 519914240 /nfs/dbraw/zinc/91/42/40/519914240.db2.gz WNFNULARMPPURB-UHFFFAOYSA-N 1 0 285.395 2.483 10 0 CEAERO CC[NH2+]CCC(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000061627013 519916867 /nfs/dbraw/zinc/91/68/67/519916867.db2.gz FEQGXZAOHGAPOZ-UHFFFAOYSA-N 1 0 274.286 2.321 10 0 CEAERO CC[NH2+]CCC(=O)N[C@H]1CCCc2sccc21 ZINC000061365582 519917266 /nfs/dbraw/zinc/91/72/66/519917266.db2.gz MJLZWZKEFVOGAV-NSHDSACASA-N 1 0 252.383 2.241 10 0 CEAERO CC[NH2+]CCC(=O)Nc1ccc(NC(=O)OCC)cc1 ZINC000061291639 519918059 /nfs/dbraw/zinc/91/80/59/519918059.db2.gz HHDMFRRTPXCJAE-UHFFFAOYSA-N 1 0 279.340 2.193 10 0 CEAERO CC[NH2+]CCN1CCN(c2cccc(C)c2C)CC1 ZINC000058621568 519920811 /nfs/dbraw/zinc/92/08/11/519920811.db2.gz QQSAFAXOUQZTDD-UHFFFAOYSA-N 1 0 261.413 2.035 10 0 CEAERO CC[NH2+]CCCc1nnc(-c2ccc(OC)cc2)o1 ZINC000050617124 519920934 /nfs/dbraw/zinc/92/09/34/519920934.db2.gz AYAIVWDGSPVXHV-UHFFFAOYSA-N 1 0 261.325 2.287 10 0 CEAERO CC(C)n1c(S[C@@H](C[NH3+])c2ccccc2F)n[nH]c1=O ZINC000061595223 519924170 /nfs/dbraw/zinc/92/41/70/519924170.db2.gz IUFPTUNZCLERSY-NSHDSACASA-N 1 0 296.371 2.084 10 0 CEAERO CC[NH2+]CCc1nnc(-c2ccc(C)c(OC)c2)o1 ZINC000050619739 519930050 /nfs/dbraw/zinc/93/00/50/519930050.db2.gz UNMAOIGFVRVOAG-UHFFFAOYSA-N 1 0 261.325 2.206 10 0 CEAERO CCC[NH2+]C[C@H]1OCCN(C)[C@@H]1c1ccccc1OC ZINC000070285772 519940512 /nfs/dbraw/zinc/94/05/12/519940512.db2.gz INBVYQWJRVPARW-HZPDHXFCSA-N 1 0 278.396 2.067 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1nc(C(C)C)cs1 ZINC000061267760 519942895 /nfs/dbraw/zinc/94/28/95/519942895.db2.gz HDGGXOBSWLEQAN-SECBINFHSA-N 1 0 255.387 2.451 10 0 CEAERO CC[NH2+]C[C@@H](C)CN1CCN(c2cccc(C)c2)CC1 ZINC000052418926 519943196 /nfs/dbraw/zinc/94/31/96/519943196.db2.gz ONCOEBCHCRZCAZ-MRXNPFEDSA-N 1 0 275.440 2.363 10 0 CEAERO CC[NH2+]C[C@@H](C)CN(C)Cc1ccccc1OC ZINC000052542235 519943637 /nfs/dbraw/zinc/94/36/37/519943637.db2.gz MCZLPYLNOBHXIN-CYBMUJFWSA-N 1 0 250.386 2.373 10 0 CEAERO CC[NH2+]C[C@@H](C)N1CCc2cc(OC)c(OC)cc2C1 ZINC000052417223 519944506 /nfs/dbraw/zinc/94/45/06/519944506.db2.gz CJBUZRSBARLWMJ-GFCCVEGCSA-N 1 0 278.396 2.060 10 0 CEAERO CC[NH2+]C[C@@H](C)n1nc(C)c(Br)c1C ZINC000052573737 519944938 /nfs/dbraw/zinc/94/49/38/519944938.db2.gz XMSCOGNCYRDDFR-SSDOTTSWSA-N 1 0 260.179 2.433 10 0 CEAERO CC[NH2+]C[C@@H](CC1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000052950649 519945020 /nfs/dbraw/zinc/94/50/20/519945020.db2.gz UTPZZVZWIZJWST-UONOGXRCSA-N 1 0 273.442 2.227 10 0 CEAERO CC[NH2+]C[C@@H]1CC[C@@H](CN(CC(F)(F)F)C2CC2)O1 ZINC000052503617 519951394 /nfs/dbraw/zinc/95/13/94/519951394.db2.gz OBJKZCMLXHNRDA-RYUDHWBXSA-N 1 0 280.334 2.170 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N(C)Cc1ccc(CC)cc1 ZINC000061230182 519959043 /nfs/dbraw/zinc/95/90/43/519959043.db2.gz TVJDBEJGBDJTIQ-ZDUSSCGKSA-N 1 0 262.397 2.453 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N(C)CCOc1ccc(C)cc1 ZINC000061235623 519959296 /nfs/dbraw/zinc/95/92/96/519959296.db2.gz QGNRFGRFDDMWQS-AWEZNQCLSA-N 1 0 278.396 2.078 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N[C@@H](C)c1ccc(OC)cc1OC ZINC000061230862 519963138 /nfs/dbraw/zinc/96/31/38/519963138.db2.gz WQMDQARQMWHQBF-RYUDHWBXSA-N 1 0 294.395 2.127 10 0 CEAERO CC[NH2+]C[C@H](c1ccccc1)N(C)[C@@H](C)COC ZINC000052511977 519976185 /nfs/dbraw/zinc/97/61/85/519976185.db2.gz XBASXYMRKIVARU-DZGCQCFKSA-N 1 0 250.386 2.304 10 0 CEAERO CC[NH2+]C[C@H]1CC[C@@H](CN(C)c2cccc(OC)c2)O1 ZINC000052516799 519978328 /nfs/dbraw/zinc/97/83/28/519978328.db2.gz LHMQBHQZRZFPGR-CVEARBPZSA-N 1 0 278.396 2.289 10 0 CEAERO CC[NH2+]Cc1c(C)nn([C@H]2CCCCC[C@H]2O)c1C ZINC000054600450 519985715 /nfs/dbraw/zinc/98/57/15/519985715.db2.gz HRDRGGKUHWHQNZ-LSDHHAIUSA-N 1 0 265.401 2.476 10 0 CEAERO CC[NH2+]Cc1cc(CN2CCOCC2(C)C)c(C)o1 ZINC000052546204 519991671 /nfs/dbraw/zinc/99/16/71/519991671.db2.gz BAJBROJXZITFQE-UHFFFAOYSA-N 1 0 266.385 2.308 10 0 CEAERO CC[NH2+]Cc1ccc(OC[C@@H](C)O)c(Br)c1 ZINC000062701146 520000052 /nfs/dbraw/zinc/00/00/52/520000052.db2.gz UOCCTOPKAKDWDZ-SECBINFHSA-N 1 0 288.185 2.318 10 0 CEAERO CCC[NH2+][C@@H](CN(CC)C[C@@H]1CCCO1)C1CC1 ZINC000069074223 520009217 /nfs/dbraw/zinc/00/92/17/520009217.db2.gz QYVMVEMJLYZTDV-GJZGRUSLSA-N 1 0 254.418 2.266 10 0 CEAERO CCC[NH2+][C@@H](c1ccc2c(c1)NC(=O)CO2)[C@@H]1CCOC1 ZINC000048625865 520018461 /nfs/dbraw/zinc/01/84/61/520018461.db2.gz PTWSHIRPBUAAFI-WBMJQRKESA-N 1 0 290.363 2.095 10 0 CEAERO CCC[NH2+][C@@H]1CCC2(C[C@H]1N(CC)CC1CC1)OCCO2 ZINC000069237785 520019791 /nfs/dbraw/zinc/01/97/91/520019791.db2.gz YVTJMQCPJIDPEY-HZPDHXFCSA-N 1 0 296.455 2.382 10 0 CEAERO CC[NH2+]Cc1nc(CN2C[C@H]3CC[C@@H]2C3)cs1 ZINC000052543773 520021906 /nfs/dbraw/zinc/02/19/06/520021906.db2.gz JVSZSMSVCDTMBT-CMPLNLGQSA-N 1 0 251.399 2.237 10 0 CEAERO CCC[NH2+][C@@H]1COc2cc(OCC(=O)NC(C)C)ccc21 ZINC000062805227 520027011 /nfs/dbraw/zinc/02/70/11/520027011.db2.gz MVHWEXJVAKHVCF-CQSZACIVSA-N 1 0 292.379 2.023 10 0 CEAERO CCC[NH2+][C@@](C)(CCCN(C)c1ccc(F)cc1)C(N)=O ZINC000049965674 520035036 /nfs/dbraw/zinc/03/50/36/520035036.db2.gz RGORMPILBOBKOX-INIZCTEOSA-N 1 0 295.402 2.286 10 0 CEAERO CCC[NH2+][C@@](C)(C[C@@H](C)n1ncc2ccccc21)C(N)=O ZINC000068649724 520044250 /nfs/dbraw/zinc/04/42/50/520044250.db2.gz MLFFRURSZACXOB-WBMJQRKESA-N 1 0 288.395 2.231 10 0 CEAERO CCCN[C@@](C[N@H+](C)C[C@@H](C)CC)(C(=O)OC)C1CC1 ZINC000069098498 520050460 /nfs/dbraw/zinc/05/04/60/520050460.db2.gz KVSPQQAKDGHRQJ-XJKSGUPXSA-N 1 0 284.444 2.286 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1F ZINC000061269770 520060260 /nfs/dbraw/zinc/06/02/60/520060260.db2.gz FDOIBKIUFBXZBU-NSHDSACASA-N 1 0 252.333 2.172 10 0 CEAERO CCC[NH2+][C@H](C)c1cccc(NC(=O)[C@H]2COCCO2)c1 ZINC000055297712 520066245 /nfs/dbraw/zinc/06/62/45/520066245.db2.gz GUUNLKSSLHMRTG-IUODEOHRSA-N 1 0 292.379 2.101 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N[C@H](C)c1ccccc1F ZINC000061271477 520066392 /nfs/dbraw/zinc/06/63/92/520066392.db2.gz KYWCYDYSIRRKTN-WDEREUQCSA-N 1 0 252.333 2.391 10 0 CEAERO CCC[NH2+][C@H](C)c1cnn([C@H]2CCC[C@@H]2O)c1C ZINC000054599610 520067013 /nfs/dbraw/zinc/06/70/13/520067013.db2.gz RXCKHAGOXZAFRT-SWHYSGLUSA-N 1 0 251.374 2.338 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000061273564 520067070 /nfs/dbraw/zinc/06/70/70/520067070.db2.gz PBSDHUNZASGRCI-WDEREUQCSA-N 1 0 252.333 2.391 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1cc(F)c(F)cc1F ZINC000061274864 520068049 /nfs/dbraw/zinc/06/80/49/520068049.db2.gz JGYMISIYYXGHBL-ZETCQYMHSA-N 1 0 260.259 2.431 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1OCCOC ZINC000061271588 520068653 /nfs/dbraw/zinc/06/86/53/520068653.db2.gz QKNXYKPKUUUIAZ-ZDUSSCGKSA-N 1 0 294.395 2.347 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1cc(C(=O)OC)ccc1Cl ZINC000061270796 520068781 /nfs/dbraw/zinc/06/87/81/520068781.db2.gz BBWZTZZDIJZHPZ-VIFPVBQESA-N 1 0 298.770 2.453 10 0 CEAERO CCCN[C@H](C[N@H+](C)C(C)(C)CC)C(=O)OCC ZINC000069446472 520081531 /nfs/dbraw/zinc/08/15/31/520081531.db2.gz BBSNHLDQXBITLN-GFCCVEGCSA-N 1 0 258.406 2.038 10 0 CEAERO CC[NH2+][C@@H](CCCS(C)(=O)=O)c1ccc(C)cc1 ZINC000063016866 520084898 /nfs/dbraw/zinc/08/48/98/520084898.db2.gz PRCBNOLIBCLURK-AWEZNQCLSA-N 1 0 269.410 2.470 10 0 CEAERO CCN[C@@H](CC[N@H+](CC)CC(CC)CC)C(=O)OC ZINC000062461764 520087126 /nfs/dbraw/zinc/08/71/26/520087126.db2.gz CLWUMLLYAXGGBN-AWEZNQCLSA-N 1 0 272.433 2.286 10 0 CEAERO CCN[C@@H](CC[NH+]1CCCCCCC1)C(=O)OCC ZINC000062438730 520088208 /nfs/dbraw/zinc/08/82/08/520088208.db2.gz CGUISPFTXPYKJK-AWEZNQCLSA-N 1 0 270.417 2.184 10 0 CEAERO CCN(C(=O)c1ccc(NN)[nH+]c1)c1cccc(F)c1 ZINC000051094741 520088455 /nfs/dbraw/zinc/08/84/55/520088455.db2.gz YVRUJRPZIKOOAF-UHFFFAOYSA-N 1 0 274.299 2.173 10 0 CEAERO CCC[NH2+][C@H](c1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1CCCCO1 ZINC000050962520 520090885 /nfs/dbraw/zinc/09/08/85/520090885.db2.gz KLYOKCTVFKKQSU-LSDHHAIUSA-N 1 0 289.379 2.466 10 0 CEAERO CC[NH2+][C@@H](Cn1ccc(=O)c2ccccc21)C1CC1 ZINC000069078359 520107519 /nfs/dbraw/zinc/10/75/19/520107519.db2.gz UDRIOWRKHAOTIH-AWEZNQCLSA-N 1 0 256.349 2.390 10 0 CEAERO CC[NH2+][C@@H]1CCCC[C@H]1N1CCN(CC(F)(F)F)CC1 ZINC000061941166 520116978 /nfs/dbraw/zinc/11/69/78/520116978.db2.gz CCVLRFQESHQALQ-CHWSQXEVSA-N 1 0 293.377 2.087 10 0 CEAERO CCCN[C@](C[N@H+](CCC)C1CC1)(C(=O)OC)C1CC1 ZINC000069098163 520119736 /nfs/dbraw/zinc/11/97/36/520119736.db2.gz GDEWHELTYLZCOB-INIZCTEOSA-N 1 0 282.428 2.182 10 0 CEAERO CCCN[C@](C[N@H+](C)[C@@H](C)CC)(C(=O)OC)C1CC1 ZINC000069096674 520120117 /nfs/dbraw/zinc/12/01/17/520120117.db2.gz VALSNUWSXPLQDK-WFASDCNBSA-N 1 0 270.417 2.038 10 0 CEAERO CC[NH2+][C@@](C)(CCCCO[C@H](C)CC(C)C)C(N)=O ZINC000045503780 520130483 /nfs/dbraw/zinc/13/04/83/520130483.db2.gz CQMHMPJNLKMKIL-HIFRSBDPSA-N 1 0 272.433 2.461 10 0 CEAERO CC[NH2+][C@@](C)(CCCCO[C@@H](C)CC(C)C)C(N)=O ZINC000045503778 520131016 /nfs/dbraw/zinc/13/10/16/520131016.db2.gz CQMHMPJNLKMKIL-ZFWWWQNUSA-N 1 0 272.433 2.461 10 0 CEAERO CCN[C@@](C)(C[C@@H](C)[N@H+](C)C1CCCCCC1)C(N)=O ZINC000068626718 520136608 /nfs/dbraw/zinc/13/66/08/520136608.db2.gz HKAJUGQWKPAIJW-CJNGLKHVSA-N 1 0 283.460 2.273 10 0 CEAERO CCN[C@@](C)(C[C@H](C)[N@H+](C)C1CCCCCC1)C(N)=O ZINC000068626724 520143048 /nfs/dbraw/zinc/14/30/48/520143048.db2.gz HKAJUGQWKPAIJW-BBRMVZONSA-N 1 0 283.460 2.273 10 0 CEAERO CCN[C@@](C[N@H+](C)C[C@@H](C)CC)(C(=O)OCC)C1CC1 ZINC000069098593 520150501 /nfs/dbraw/zinc/15/05/01/520150501.db2.gz HBFDDVSEGDWIBZ-XJKSGUPXSA-N 1 0 284.444 2.286 10 0 CEAERO CCCNc1ccc(C)cc1C(=O)N[C@@H]1CC[N@H+](C)C1 ZINC000053004428 520154589 /nfs/dbraw/zinc/15/45/89/520154589.db2.gz VIJOEZFGHJRXDJ-CYBMUJFWSA-N 1 0 275.396 2.251 10 0 CEAERO CC[NH2+][C@@](COc1ccc(C(C)C)cc1)(C(N)=O)C1CC1 ZINC000069197025 520156323 /nfs/dbraw/zinc/15/63/23/520156323.db2.gz ACQFOQYFXXSKEE-QGZVFWFLSA-N 1 0 290.407 2.432 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N1CCN(c2ccccc2C)CC1 ZINC000061273950 520164976 /nfs/dbraw/zinc/16/49/76/520164976.db2.gz ODOVLYVOYGAHBK-OAHLLOKOSA-N 1 0 289.423 2.032 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000061270871 520168540 /nfs/dbraw/zinc/16/85/40/520168540.db2.gz HFGWZLBCBOQVQG-VXGBXAGGSA-N 1 0 292.379 2.023 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N[C@H](C)c1ccccc1F ZINC000061271478 520168789 /nfs/dbraw/zinc/16/87/89/520168789.db2.gz KYWCYDYSIRRKTN-GHMZBOCLSA-N 1 0 252.333 2.391 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1cccc(NC(=O)OC)c1 ZINC000061271555 520171120 /nfs/dbraw/zinc/17/11/20/520171120.db2.gz SYAGNCJKZVFSTD-SNVBAGLBSA-N 1 0 279.340 2.192 10 0 CEAERO CC[NH2+][C@H](C)CCCS(=O)(=O)c1ccccc1 ZINC000061702731 520172268 /nfs/dbraw/zinc/17/22/68/520172268.db2.gz UMTWIJCHSBWPLE-GFCCVEGCSA-N 1 0 255.383 2.239 10 0 CEAERO CCCCC[N@H+](CC[C@H]([NH2+]CC)C(=O)[O-])C(C)C ZINC000062463204 520175843 /nfs/dbraw/zinc/17/58/43/520175843.db2.gz GJLMXBAVRSQNTQ-ZDUSSCGKSA-N 1 0 258.406 2.340 10 0 CEAERO CCCNc1ccccc1C(=O)NCCC[NH+](C)C ZINC000050743271 520177126 /nfs/dbraw/zinc/17/71/26/520177126.db2.gz QACSRIAEYHYUKL-UHFFFAOYSA-N 1 0 263.385 2.190 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(OCCC(=O)OC)c(OC)c1 ZINC000069317062 520179905 /nfs/dbraw/zinc/17/99/05/520179905.db2.gz FWIWAFLBBBHSGR-LLVKDONJSA-N 1 0 281.352 2.308 10 0 CEAERO CC[NH2+][C@H](CCSc1ccc2c(c1)CCC2)C(N)=O ZINC000062600465 520194666 /nfs/dbraw/zinc/19/46/66/520194666.db2.gz PMFWVLQTFFBKIB-CQSZACIVSA-N 1 0 278.421 2.121 10 0 CEAERO CC[NH2+][C@H](c1cc(C)ccc1OC)[C@H]1COCCO1 ZINC000055300888 520206283 /nfs/dbraw/zinc/20/62/83/520206283.db2.gz HVBUBHNZEQVIRV-HUUCEWRRSA-N 1 0 265.353 2.070 10 0 CEAERO CCN[C@](C)(C[C@@H](C)[N@H+](C)CC1CCC1)C(=O)OCC ZINC000068642747 520234315 /nfs/dbraw/zinc/23/43/15/520234315.db2.gz SNHXOGPICLKUDF-CZUORRHYSA-N 1 0 284.444 2.428 10 0 CEAERO CCN[C@](C)(C[C@@H](C)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(N)=O ZINC000068627063 520235334 /nfs/dbraw/zinc/23/53/34/520235334.db2.gz DVBZJHZILFWJEG-JYYAWHABSA-N 1 0 295.471 2.131 10 0 CEAERO CC[NH2+][C@](C)(C[C@@H](C)Oc1ccc2c(c1)CCC2)C(N)=O ZINC000068654505 520237748 /nfs/dbraw/zinc/23/77/48/520237748.db2.gz JZYJPYUZKXMOJR-SJKOYZFVSA-N 1 0 290.407 2.186 10 0 CEAERO CCNc1cc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)ccn1 ZINC000050777065 520264834 /nfs/dbraw/zinc/26/48/34/520264834.db2.gz IPMFNFICCFFLRM-CQSZACIVSA-N 1 0 292.427 2.220 10 0 CEAERO CCCO[C@@H]1CCCN(C(=O)[C@@](C)([NH3+])c2ccccc2)C1 ZINC000052882603 520269339 /nfs/dbraw/zinc/26/93/39/520269339.db2.gz RVXJWIPAYLKXIZ-WBVHZDCISA-N 1 0 290.407 2.278 10 0 CEAERO CCNc1ccc(C(=O)NC[C@@H]2CC[N@H+](CC)C2)cc1 ZINC000050770008 520289014 /nfs/dbraw/zinc/28/90/14/520289014.db2.gz JXIBSQVBWFXRCQ-ZDUSSCGKSA-N 1 0 275.396 2.190 10 0 CEAERO CCNc1ccc(C)cc1C(=O)NCC[NH+](CC)CC ZINC000053000321 520296789 /nfs/dbraw/zinc/29/67/89/520296789.db2.gz KULZVWSLWIOZKM-UHFFFAOYSA-N 1 0 277.412 2.498 10 0 CEAERO CCN(CC(=O)NC)c1ccccc1C[NH2+]CC(C)C ZINC000062737292 520330436 /nfs/dbraw/zinc/33/04/36/520330436.db2.gz SKCCWJYUSXAIAI-UHFFFAOYSA-N 1 0 277.412 2.005 10 0 CEAERO CCCOc1ccc(C[C@H](C[NH3+])C(=O)OCC)cc1 ZINC000052919406 520377538 /nfs/dbraw/zinc/37/75/38/520377538.db2.gz PLNQWTOXSGTHLI-CYBMUJFWSA-N 1 0 265.353 2.156 10 0 CEAERO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@H](C)C2CCCC2)C1(C)C ZINC000157483031 520396362 /nfs/dbraw/zinc/39/63/62/520396362.db2.gz LHLLRKHGPSPVAB-AXAPSJFSSA-N 1 0 282.428 2.214 10 0 CEAERO CCCC[NH+](CCCC)C[C@](NCC)(C(N)=O)C1CC1 ZINC000069096510 520495552 /nfs/dbraw/zinc/49/55/52/520495552.db2.gz WUPIHLNLZZFZBM-MRXNPFEDSA-N 1 0 283.460 2.132 10 0 CEAERO CCO[C@H](C[NH3+])COc1cccc2c1OC(C)(C)C2 ZINC000062740207 520520271 /nfs/dbraw/zinc/52/02/71/520520271.db2.gz VFLQETVOFAPKOY-GFCCVEGCSA-N 1 0 265.353 2.143 10 0 CEAERO CCCC[N@H+](CC[C@@H](NCC)C(=O)OCC)C1CC1 ZINC000062459041 520538661 /nfs/dbraw/zinc/53/86/61/520538661.db2.gz SCQIVRVLSOPBRS-CQSZACIVSA-N 1 0 270.417 2.182 10 0 CEAERO CCCCNC(=O)[C@@H](C)[NH2+][C@H]1CCOc2ccccc21 ZINC000052928792 520651446 /nfs/dbraw/zinc/65/14/46/520651446.db2.gz APDQALPVLXWGDI-OCCSQVGLSA-N 1 0 276.380 2.405 10 0 CEAERO CCC[C@@H](C)NC(=O)[C@@H](C)[NH2+]C[C@@H](C)CSC ZINC000069447859 520657543 /nfs/dbraw/zinc/65/75/43/520657543.db2.gz OUGNBEUKSLUJPZ-IJLUTSLNSA-N 1 0 260.447 2.268 10 0 CEAERO CCC[C@@H](C)NC(=O)[C@H](C)OCC[C@@H]1CCCC[NH2+]1 ZINC000051861903 520662435 /nfs/dbraw/zinc/66/24/35/520662435.db2.gz YFVPBFBVOSHMCS-RDBSUJKOSA-N 1 0 270.417 2.229 10 0 CEAERO CCOc1cc(C)ccc1NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000164128101 520686017 /nfs/dbraw/zinc/68/60/17/520686017.db2.gz BAFCFPGBVBTSMN-NSHDSACASA-N 1 0 262.353 2.188 10 0 CEAERO CCN(CC)CC[NH2+]C1(CO)C2CC3CC(C2)CC1C3 ZINC000069394130 520688357 /nfs/dbraw/zinc/68/83/57/520688357.db2.gz ROJSOJGNXOOLQI-UHFFFAOYSA-N 1 0 280.456 2.105 10 0 CEAERO CCC[C@@H](C[NH2+]CCOC)Cc1cnn(CC)c1 ZINC000054662890 520709354 /nfs/dbraw/zinc/70/93/54/520709354.db2.gz FCGIVOSFSMJWKV-CYBMUJFWSA-N 1 0 253.390 2.098 10 0 CEAERO CCCCOC(=O)COc1ccc2c(c1)OC[C@H]2[NH2+]C ZINC000062804012 520714060 /nfs/dbraw/zinc/71/40/60/520714060.db2.gz VEFFRWLZIYIZSF-CYBMUJFWSA-N 1 0 279.336 2.062 10 0 CEAERO CCOc1cc(C[C@@H](C)[NH3+])ccc1OCc1ncccn1 ZINC000054461794 520734483 /nfs/dbraw/zinc/73/44/83/520734483.db2.gz MXFYTEDIFQPKRQ-GFCCVEGCSA-N 1 0 287.363 2.344 10 0 CEAERO CC[NH+](CC)Cc1ccccc1NCc1cn(C)nn1 ZINC000054860038 520760242 /nfs/dbraw/zinc/76/02/42/520760242.db2.gz YBFQHPXCNYPMJM-UHFFFAOYSA-N 1 0 273.384 2.269 10 0 CEAERO CCC[C@@H](O)[C@H](CC)[NH+]1CCN(CC(C)C)CC1 ZINC000055080871 520808625 /nfs/dbraw/zinc/80/86/25/520808625.db2.gz HCSXQONIZHWORH-LSDHHAIUSA-N 1 0 256.434 2.200 10 0 CEAERO CC[NH+](CC)[C@@H]1CCN(C(=O)CCc2cccc(N)c2)C1 ZINC000062983651 520842506 /nfs/dbraw/zinc/84/25/06/520842506.db2.gz GZNCXYGAKZTYHG-MRXNPFEDSA-N 1 0 289.423 2.144 10 0 CEAERO CCC[C@@H]1C[NH2+][C@H](C(C)C)CN1CCn1ccnc1C ZINC000068695577 520845004 /nfs/dbraw/zinc/84/50/04/520845004.db2.gz DWXRWQQJECNDJJ-CVEARBPZSA-N 1 0 278.444 2.290 10 0 CEAERO CCOC(=O)N1CCC(N2CCCCC2=[NH2+])CC1 ZINC000049584139 520922330 /nfs/dbraw/zinc/92/23/30/520922330.db2.gz ZPGILZTXKDLSEF-UHFFFAOYSA-N 1 0 253.346 2.070 10 0 CEAERO CCC[C@@]1(C(=O)N2CCC[C@H]2c2cc(C)no2)CC[NH2+]C1 ZINC000062896064 520941046 /nfs/dbraw/zinc/94/10/46/520941046.db2.gz QLSPYMVQBZMJBK-XJKSGUPXSA-N 1 0 291.395 2.426 10 0 CEAERO CCC[C@@]1(C(=O)N(C)Cc2cnc(C)s2)CC[NH2+]C1 ZINC000062895772 520941582 /nfs/dbraw/zinc/94/15/82/520941582.db2.gz MIDPBHKIQOFREL-CQSZACIVSA-N 1 0 281.425 2.190 10 0 CEAERO CCC[C@@]1(C(=O)N[C@H]2C[C@@H]2c2ccccc2)CC[NH2+]C1 ZINC000062902553 520942655 /nfs/dbraw/zinc/94/26/55/520942655.db2.gz RGOJLSVRKHWCFC-HLLBOEOZSA-N 1 0 272.392 2.439 10 0 CEAERO CC1CCC(NC(=O)[C@@H]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000055146052 520949155 /nfs/dbraw/zinc/94/91/55/520949155.db2.gz ZOXZYCCTOPGULB-CEUNDQEZSA-N 1 0 252.402 2.446 10 0 CEAERO CCN(CC1CC1)[C@@H](C[NH3+])c1ccc(OC)cc1OC ZINC000069237590 520966451 /nfs/dbraw/zinc/96/64/51/520966451.db2.gz CXFTVQJEFLRJDK-HNNXBMFYSA-N 1 0 278.396 2.436 10 0 CEAERO CCN(CCC[NH3+])C(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000050518199 521011945 /nfs/dbraw/zinc/01/19/45/521011945.db2.gz TZGWSKWSKHBFOY-UHFFFAOYSA-N 1 0 288.313 2.445 10 0 CEAERO CCOc1ccc(NC(=O)C(C)(C)[NH2+]C)c(C)c1 ZINC000061316767 521052292 /nfs/dbraw/zinc/05/22/92/521052292.db2.gz HRMDIHFVBAGESG-UHFFFAOYSA-N 1 0 250.342 2.330 10 0 CEAERO CCOc1ccc(NC(=O)[C@H](C)C2C[NH2+]C2)c(C)c1 ZINC000164135602 521107062 /nfs/dbraw/zinc/10/70/62/521107062.db2.gz TUBMQORTSVOZFH-LLVKDONJSA-N 1 0 262.353 2.188 10 0 CEAERO CCOC(=O)[C@@](C)(CCC[NH+]1Cc2ccccc2C1)NC ZINC000050912265 521145011 /nfs/dbraw/zinc/14/50/11/521145011.db2.gz CWUKWXKEFOXLRR-QGZVFWFLSA-N 1 0 290.407 2.324 10 0 CEAERO CCOC(=O)[C@@](C)(C[C@H](C)[N@H+](C)C[C@@H]1C[C@@H]1C)NC1CC1 ZINC000068647614 521149112 /nfs/dbraw/zinc/14/91/12/521149112.db2.gz CZKUNCYDFHCRDH-AYMQEEERSA-N 1 0 296.455 2.427 10 0 CEAERO CC[N@H+](CC[C@H]1CCCC[NH+]1C)C(C)(C)C(=O)[O-] ZINC000061175623 521159728 /nfs/dbraw/zinc/15/97/28/521159728.db2.gz XUXPGVHQQMAECJ-GFCCVEGCSA-N 1 0 256.390 2.046 10 0 CEAERO CCOC(=O)[C@@](C[N@@H+]1CCCC1(C)C)(NC1CC1)C1CC1 ZINC000069232869 521166005 /nfs/dbraw/zinc/16/60/05/521166005.db2.gz BFIUEPNASBCLDP-KRWDZBQOSA-N 1 0 294.439 2.325 10 0 CEAERO CCN(C[C@@H](C)C[NH3+])C(=O)c1cccc2cccnc21 ZINC000061410481 521202194 /nfs/dbraw/zinc/20/21/94/521202194.db2.gz WBSMPYPNWHQUFA-LBPRGKRZSA-N 1 0 271.364 2.292 10 0 CEAERO CCC[C@](C)(C[NH2+]C)Cc1nnnn1-c1ccccc1 ZINC000054656482 521267018 /nfs/dbraw/zinc/26/70/18/521267018.db2.gz AJSJQSMNUJMLNC-HNNXBMFYSA-N 1 0 273.384 2.231 10 0 CEAERO CCOc1ccc([C@H]2[C@@H]([NH3+])CCC(=O)N2C(C)C)cc1 ZINC000062211528 521274950 /nfs/dbraw/zinc/27/49/50/521274950.db2.gz XAMZJLVCLIKGEM-HOCLYGCPSA-N 1 0 276.380 2.485 10 0 CEAERO CCC(C)(C)[N@H+](C)CCCC[C@@](C)([NH2+]C)C(=O)[O-] ZINC000069446824 521301230 /nfs/dbraw/zinc/30/12/30/521301230.db2.gz XPVBWDBPBRPSAP-CQSZACIVSA-N 1 0 258.406 2.340 10 0 CEAERO CCN(Cc1ccc(F)c(F)c1)C(=O)C(C)(C)[NH2+]C ZINC000061317438 521316640 /nfs/dbraw/zinc/31/66/40/521316640.db2.gz PDIOSEIRGMIJEJ-UHFFFAOYSA-N 1 0 270.323 2.311 10 0 CEAERO CCOC(=O)[C@](C)(C[C@H](C)[N@H+]1C[C@H](C)C[C@H](C)C1)NC ZINC000068618203 521323577 /nfs/dbraw/zinc/32/35/77/521323577.db2.gz DVFDLLPMRIBDNL-FQLMCAECSA-N 1 0 284.444 2.284 10 0 CEAERO CCOc1cccc(C[NH2+]C(C)C)c1O[C@@H](CC)C(N)=O ZINC000061675790 521358320 /nfs/dbraw/zinc/35/83/20/521358320.db2.gz OUJAVFCBWKUAKB-ZDUSSCGKSA-N 1 0 294.395 2.226 10 0 CEAERO CCN(Cc1ccccc1)Cc1ccc[nH+]c1NN ZINC000052724786 521371739 /nfs/dbraw/zinc/37/17/39/521371739.db2.gz JDEVGOUQFAZVKM-UHFFFAOYSA-N 1 0 256.353 2.389 10 0 CEAERO CCN(Cc1ccccc1)c1ccnc(C(N)=[NH2+])c1 ZINC000061814048 521377018 /nfs/dbraw/zinc/37/70/18/521377018.db2.gz UZZWUAWMHBRBRM-UHFFFAOYSA-N 1 0 254.337 2.392 10 0 CEAERO CCCc1cc(NN)[nH+]c(-c2cccc(OC)c2)n1 ZINC000051152681 521380407 /nfs/dbraw/zinc/38/04/07/521380407.db2.gz XLKIBJRIJFULOL-UHFFFAOYSA-N 1 0 258.325 2.390 10 0 CEAERO CCOc1cccc(OCc2ccnc(C(N)=[NH2+])c2)c1 ZINC000068762709 521403958 /nfs/dbraw/zinc/40/39/58/521403958.db2.gz OBPBIBAJSWBNLP-UHFFFAOYSA-N 1 0 271.320 2.343 10 0 CEAERO CCCc1ccc([C@@H](CN2CCN(C)C2=O)[NH2+]C)cc1 ZINC000052885587 521415493 /nfs/dbraw/zinc/41/54/93/521415493.db2.gz WDUIOVPPQRTDHL-OAHLLOKOSA-N 1 0 275.396 2.267 10 0 CEAERO CCN(Cc1ccncc1)[C@]1(C[NH3+])CCCSC1 ZINC000061590193 521424765 /nfs/dbraw/zinc/42/47/65/521424765.db2.gz WPODUZBQQXHPLK-AWEZNQCLSA-N 1 0 265.426 2.128 10 0 CEAERO CCCc1ccccc1-n1nnnc1C[NH2+]CC(C)C ZINC000054762462 521430340 /nfs/dbraw/zinc/43/03/40/521430340.db2.gz MPQNAACNGPNOSF-UHFFFAOYSA-N 1 0 273.384 2.360 10 0 CEAERO CCN(Cc1[nH+]c(NN)ccc1Cl)C[C@@H]1CCCO1 ZINC000061631328 521450778 /nfs/dbraw/zinc/45/07/78/521450778.db2.gz FJMRETQKJQGQOS-JTQLQIEISA-N 1 0 284.791 2.022 10 0 CEAERO CCN([C@](C)(CC)C[NH3+])S(=O)(=O)c1ccc(C)c(C)c1 ZINC000050093536 521477421 /nfs/dbraw/zinc/47/74/21/521477421.db2.gz OZSMWQMVFICMIU-OAHLLOKOSA-N 1 0 298.452 2.441 10 0 CEAERO CCN([C@H](C)COC)[C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062711245 521477734 /nfs/dbraw/zinc/47/77/34/521477734.db2.gz JQWDUJJTSHERHA-RNCFNFMXSA-N 1 0 290.329 2.461 10 0 CEAERO CCOc1ccccc1OC[C@H]1CC[C@@H](C[NH2+]C)O1 ZINC000052654163 521567251 /nfs/dbraw/zinc/56/72/51/521567251.db2.gz FBQBZINZDVZUGY-QWHCGFSZSA-N 1 0 265.353 2.231 10 0 CEAERO CCC(CC)NC(=O)Cn1ccnc1C[NH2+]C(C)(C)C ZINC000051015455 521578668 /nfs/dbraw/zinc/57/86/68/521578668.db2.gz ZQCJXUXZBHYOOW-UHFFFAOYSA-N 1 0 280.416 2.076 10 0 CEAERO CCCN(CC(F)(F)F)C(=O)C[C@@H](C)[NH2+]CC ZINC000061272265 521584513 /nfs/dbraw/zinc/58/45/13/521584513.db2.gz QXOHYGDQFFVVDH-SECBINFHSA-N 1 0 254.296 2.175 10 0 CEAERO CCCN(CC)c1nc2ccccn2c1C[NH2+]CCOC ZINC000062735247 521618782 /nfs/dbraw/zinc/61/87/82/521618782.db2.gz LSPWSNJAAHCIJN-UHFFFAOYSA-N 1 0 290.411 2.307 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)[C@@H](C)c2cccnc2)C1 ZINC000068587665 521619557 /nfs/dbraw/zinc/61/95/57/521619557.db2.gz DVTIPZMGDJBIAY-DZGCQCFKSA-N 1 0 290.411 2.268 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@H](C)CC2)C1 ZINC000068884983 521619864 /nfs/dbraw/zinc/61/98/64/521619864.db2.gz BOTBYRRZCWYDTK-UONOGXRCSA-N 1 0 267.417 2.302 10 0 CEAERO CCOc1ncccc1NC(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050944391 521623000 /nfs/dbraw/zinc/62/30/00/521623000.db2.gz QSWPTSYGVJGNMU-GFCCVEGCSA-N 1 0 277.368 2.341 10 0 CEAERO CCS(=O)(=O)CC[C@H]1C[C@@H](C(C)C)CC[C@@H]1[NH3+] ZINC000054630588 521645888 /nfs/dbraw/zinc/64/58/88/521645888.db2.gz ZBIIHIUBMAYBKK-AVGNSLFASA-N 1 0 261.431 2.211 10 0 CEAERO CCC[NH+](CCC)CC[C@H](NCC)C(=O)OCC ZINC000062442044 521646985 /nfs/dbraw/zinc/64/69/85/521646985.db2.gz QRZADFKKTJBWJU-ZDUSSCGKSA-N 1 0 258.406 2.040 10 0 CEAERO CCOC1CCN(C(=O)[C@H]2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000055161884 521655294 /nfs/dbraw/zinc/65/52/94/521655294.db2.gz ROFOVOGQBCMXJN-KBPBESRZSA-N 1 0 282.428 2.169 10 0 CEAERO CCOC1CCN([C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000069266083 521658113 /nfs/dbraw/zinc/65/81/13/521658113.db2.gz JIRAXRXOWCTGQZ-INIZCTEOSA-N 1 0 260.381 2.332 10 0 CEAERO CCCn1ccnc(N(CCC[NH3+])c2ccccc2)c1=O ZINC000061757779 521659471 /nfs/dbraw/zinc/65/94/71/521659471.db2.gz QFJZAGOTJZKYTJ-UHFFFAOYSA-N 1 0 286.379 2.140 10 0 CEAERO CCCN(CC[NH3+])C(=O)c1cccc2cccnc21 ZINC000061410405 521660508 /nfs/dbraw/zinc/66/05/08/521660508.db2.gz BPZQCFJSPTYYKC-UHFFFAOYSA-N 1 0 257.337 2.046 10 0 CEAERO CCCN(CC[NH3+])C(=O)[C@@H]1CCCc2ccccc21 ZINC000054668352 521660529 /nfs/dbraw/zinc/66/05/29/521660529.db2.gz KLPDSWADECELSM-OAHLLOKOSA-N 1 0 260.381 2.304 10 0 CEAERO CCC[N@H+](CCO)C[C@@H]1C[C@H](C(C)C)CC[C@@H]1O ZINC000054561356 521667664 /nfs/dbraw/zinc/66/76/64/521667664.db2.gz DYKPMZZROSROFW-ILXRZTDVSA-N 1 0 257.418 2.124 10 0 CEAERO CCC1(CC)CC(=O)N(C[C@H]2CCC[C@H](C)[NH2+]2)C1=O ZINC000051574797 521683211 /nfs/dbraw/zinc/68/32/11/521683211.db2.gz QVYWJUDNUJSVQX-NWDGAFQWSA-N 1 0 266.385 2.082 10 0 CEAERO CCCN1C(=O)CC[C@@H]([NH3+])[C@@H]1c1ccc(OCC)cc1 ZINC000062212074 521698813 /nfs/dbraw/zinc/69/88/13/521698813.db2.gz JTALWWHXDHQXMA-ZBFHGGJFSA-N 1 0 276.380 2.486 10 0 CEAERO CCNC(=O)CC[NH2+]Cc1cccc2ccccc21 ZINC000052061526 521735920 /nfs/dbraw/zinc/73/59/20/521735920.db2.gz XXCFDRKUMLIKOD-UHFFFAOYSA-N 1 0 256.349 2.456 10 0 CEAERO CN(C)C[C@H]1CCC[N@@H+]1[C@@H]1CCCc2ccccc2[C@@H]1O ZINC000061652622 521873150 /nfs/dbraw/zinc/87/31/50/521873150.db2.gz HOFLOIMQRHDTAD-NXHRZFHOSA-N 1 0 288.435 2.451 10 0 CEAERO COC(=O)c1cc(N[C@H](C)C[NH+]2CCCCC2)ccc1N ZINC000049503221 521897000 /nfs/dbraw/zinc/89/70/00/521897000.db2.gz XGBLTJSTNFISMR-GFCCVEGCSA-N 1 0 291.395 2.342 10 0 CEAERO C[NH2+]CC1(CN(CC(F)(F)F)C(C)C)CCOCC1 ZINC000052182242 521970387 /nfs/dbraw/zinc/97/03/87/521970387.db2.gz KXWOTXPPWCSPAZ-UHFFFAOYSA-N 1 0 282.350 2.275 10 0 CEAERO C[NH2+]C1CCC(NC(=O)c2cc(F)ccc2C)CC1 ZINC000062664862 521948898 /nfs/dbraw/zinc/94/88/98/521948898.db2.gz PJIPTBYISCTSRP-UHFFFAOYSA-N 1 0 264.344 2.395 10 0 CEAERO COCC[C@H]([NH3+])c1nc(-c2ccc(OC)c(OC)c2)c[nH]1 ZINC000052811157 521951481 /nfs/dbraw/zinc/95/14/81/521951481.db2.gz VCDWTDSEYKHTBA-NSHDSACASA-N 1 0 291.351 2.130 10 0 CEAERO CC[C@@H](C)CN(C)c1ncc(C[NH2+]CCOC)s1 ZINC000054903124 521975626 /nfs/dbraw/zinc/97/56/26/521975626.db2.gz ONJORWHYMWESSU-LLVKDONJSA-N 1 0 271.430 2.361 10 0 CEAERO C[NH2+]CCCc1nnc(-c2cccc(OC(F)F)c2)o1 ZINC000050616708 522003422 /nfs/dbraw/zinc/00/34/22/522003422.db2.gz NRVJCIFWBWGVAD-UHFFFAOYSA-N 1 0 283.278 2.490 10 0 CEAERO C[NH2+]CCN(C)[C@@H](C)C(=O)c1ccc(Br)cc1 ZINC000070303501 522007660 /nfs/dbraw/zinc/00/76/60/522007660.db2.gz JXBSWWWLUMXPJQ-JTQLQIEISA-N 1 0 299.212 2.172 10 0 CEAERO C[NH2+]CCc1nnc(-c2ccc(Cl)cc2OC)o1 ZINC000050619632 522022729 /nfs/dbraw/zinc/02/27/29/522022729.db2.gz IRTXYYQHABWFCD-UHFFFAOYSA-N 1 0 267.716 2.161 10 0 CEAERO CC[C@H](C)c1ccccc1OC[C@@]([NH3+])(C(N)=O)C1CC1 ZINC000069197822 522049524 /nfs/dbraw/zinc/04/95/24/522049524.db2.gz JIMQTXIKZUGKOL-ZBEGNZNMSA-N 1 0 276.380 2.172 10 0 CEAERO C[NH2+]C[C@@H]1CC[C@@H](Cn2cc(-c3ccccc3)cn2)O1 ZINC000054962026 522059607 /nfs/dbraw/zinc/05/96/07/522059607.db2.gz OPTSWJGZEUDGQS-HOTGVXAUSA-N 1 0 271.364 2.317 10 0 CEAERO C[NH2+]C[C@H](C)c1c(C)nc(-c2ccncc2)nc1C ZINC000054854664 522073541 /nfs/dbraw/zinc/07/35/41/522073541.db2.gz VAWNQXIGWUNXGN-JTQLQIEISA-N 1 0 256.353 2.478 10 0 CEAERO C[NH2+]C[C@H](OC[C@@H]1CCCO1)c1ccccc1F ZINC000050494512 522076185 /nfs/dbraw/zinc/07/61/85/522076185.db2.gz JMBOYAUMZBBDGO-FZMZJTMJSA-N 1 0 253.317 2.282 10 0 CEAERO C[NH2+]C[C@H](OC[C@H]1CCOC1)c1ccc(OC)cc1 ZINC000050501227 522077970 /nfs/dbraw/zinc/07/79/70/522077970.db2.gz FTWIIUCWTYZYSL-WFASDCNBSA-N 1 0 265.353 2.009 10 0 CEAERO C[NH2+]Cc1c(C)nn(C)c1N1CCC[C@@H](C)[C@@H]1C ZINC000050566044 522101563 /nfs/dbraw/zinc/10/15/63/522101563.db2.gz JURXGOIPVMLGJH-PWSUYJOCSA-N 1 0 250.390 2.073 10 0 CEAERO C[NH2+]Cc1cc(Cn2cc(Br)cn2)c(C)o1 ZINC000052577586 522111958 /nfs/dbraw/zinc/11/19/58/522111958.db2.gz FCHUATDGQUNCDL-UHFFFAOYSA-N 1 0 284.157 2.315 10 0 CEAERO C[NH2+]Cc1ccc(CN2CCN(c3ccccc3)CC2)o1 ZINC000052417307 522115900 /nfs/dbraw/zinc/11/59/00/522115900.db2.gz PNEHFFWCZUAGLC-UHFFFAOYSA-N 1 0 285.391 2.321 10 0 CEAERO CC[C@H](CC1CC1)NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000070256969 522119510 /nfs/dbraw/zinc/11/95/10/522119510.db2.gz UCXNFIXHYPPHGB-OLZOCXBDSA-N 1 0 250.386 2.071 10 0 CEAERO C[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)nn1 ZINC000054934398 522125087 /nfs/dbraw/zinc/12/50/87/522125087.db2.gz MBURTYRUMNKKSU-UHFFFAOYSA-N 1 0 251.236 2.267 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(Cc2ccccc2C(N)=S)CC1 ZINC000055066711 522125768 /nfs/dbraw/zinc/12/57/68/522125768.db2.gz PFIGVPRRDJJVMU-CYBMUJFWSA-N 1 0 291.464 2.237 10 0 CEAERO CC[C@@H](C)[NH+]1CCN([C@@H]2CCc3ccccc3[C@@H]2O)CC1 ZINC000055069439 522128475 /nfs/dbraw/zinc/12/84/75/522128475.db2.gz GVBZXMDHCPJUBA-OLMNPRSZSA-N 1 0 288.435 2.451 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(c2ccc(F)cc2CO)CC1 ZINC000055067969 522134245 /nfs/dbraw/zinc/13/42/45/522134245.db2.gz DABGEEHYXFKNFE-GFCCVEGCSA-N 1 0 266.360 2.239 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(c2nc3c(s2)[C@@H](O)CCC3)CC1 ZINC000055076428 522137991 /nfs/dbraw/zinc/13/79/91/522137991.db2.gz JMGSGBQBQWHWIM-YPMHNXCESA-N 1 0 295.452 2.433 10 0 CEAERO C[NH2+]Cc1ccccc1OCCN(C)CC(F)(F)F ZINC000052483303 522140338 /nfs/dbraw/zinc/14/03/38/522140338.db2.gz UGBDAGFHZCNCRB-UHFFFAOYSA-N 1 0 276.302 2.279 10 0 CEAERO C[NH2+]Cc1nnc(-c2ccccc2OC(F)F)o1 ZINC000050615339 522156981 /nfs/dbraw/zinc/15/69/81/522156981.db2.gz FAUJEOWWOQMHLU-UHFFFAOYSA-N 1 0 255.224 2.057 10 0 CEAERO CC[C@H](CCOCC(F)(F)F)C[NH2+]CCOC ZINC000054663595 522167948 /nfs/dbraw/zinc/16/79/48/522167948.db2.gz UURJFLYUYGZYOH-SNVBAGLBSA-N 1 0 257.296 2.218 10 0 CEAERO CN(C)c1ccccc1NC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000061611775 522297171 /nfs/dbraw/zinc/29/71/71/522297171.db2.gz MICNJRQBDBVMGE-AWEZNQCLSA-N 1 0 283.375 2.434 10 0 CEAERO C[NH2+][C@@H](C)C(=O)Nc1ccc(Cl)c2cccnc12 ZINC000054074525 522320220 /nfs/dbraw/zinc/32/02/20/522320220.db2.gz XSEMKUWEESVEQV-QMMMGPOBSA-N 1 0 263.728 2.435 10 0 CEAERO C[NH2+][C@@H](C)C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000052395619 522322621 /nfs/dbraw/zinc/32/26/21/522322621.db2.gz BLCNBGMWQSCQHG-BDAKNGLRSA-N 1 0 285.185 2.234 10 0 CEAERO C[NH2+][C@@H](C)Cc1nc(-c2nccc3ccccc32)no1 ZINC000069316567 522324741 /nfs/dbraw/zinc/32/47/41/522324741.db2.gz RMPHLHIDAWCZAZ-JTQLQIEISA-N 1 0 268.320 2.435 10 0 CEAERO C[NH2+][C@@H](C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)o1 ZINC000050618252 522338806 /nfs/dbraw/zinc/33/88/06/522338806.db2.gz VJTMQBNHKFEUER-QMMMGPOBSA-N 1 0 293.323 2.043 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccccc1Cl)N1CC[C@H](O)C1 ZINC000061710011 522343796 /nfs/dbraw/zinc/34/37/96/522343796.db2.gz KSMUXKNBYBOBQZ-BPNCWPANSA-N 1 0 268.788 2.185 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1cnn(C)c1)n1ncc2ccccc21 ZINC000050524072 522345870 /nfs/dbraw/zinc/34/58/70/522345870.db2.gz JOSWGXACPDVWSP-ZFWWWQNUSA-N 1 0 269.352 2.097 10 0 CEAERO C[NH2+][C@@H](Cc1csc(-c2nc[nH]n2)n1)c1ccccc1 ZINC000051966050 522363055 /nfs/dbraw/zinc/36/30/55/522363055.db2.gz ZAAUSIMMMDKTBC-LBPRGKRZSA-N 1 0 285.376 2.431 10 0 CEAERO C[NH2+][C@@H]1CCO[C@H](c2cccc(OC)c2OC)C1 ZINC000070340514 522394787 /nfs/dbraw/zinc/39/47/87/522394787.db2.gz CYYGDCZDIUKWLZ-MFKMUULPSA-N 1 0 251.326 2.143 10 0 CEAERO CN[C@@](C)(C[C@H](C)[N@H+](C)CC1CCCCC1)C(=O)OC ZINC000068638384 522418251 /nfs/dbraw/zinc/41/82/51/522418251.db2.gz OUFWPFJHCBTTQC-BBRMVZONSA-N 1 0 284.444 2.428 10 0 CEAERO C[NH2+][C@@](C)(C[C@H](C)[N@@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000068632771 522420151 /nfs/dbraw/zinc/42/01/51/522420151.db2.gz RXFPXLDUSIARTC-BJJXKVORSA-N 1 0 282.428 2.482 10 0 CEAERO COC[C@@H](O)COc1c(C)cc(C[NH2+]C(C)C)cc1C ZINC000069053406 522425675 /nfs/dbraw/zinc/42/56/75/522425675.db2.gz OESXXOAXHMVYLM-OAHLLOKOSA-N 1 0 281.396 2.188 10 0 CEAERO COC[C@@H](O)COc1ccc(C)cc1C[NH2+]CC(C)C ZINC000069053992 522426580 /nfs/dbraw/zinc/42/65/80/522426580.db2.gz MEJSRZYQTHHOTO-OAHLLOKOSA-N 1 0 281.396 2.127 10 0 CEAERO COc1cc(C[NH2+]CC2(O)CCCCCC2)ccn1 ZINC000062070227 522443969 /nfs/dbraw/zinc/44/39/69/522443969.db2.gz MHWXMXMMLLUYOY-UHFFFAOYSA-N 1 0 264.369 2.265 10 0 CEAERO C[NH2+][C@H](C)c1nnc(-c2cc(OC)ccc2OC)o1 ZINC000050618586 522453665 /nfs/dbraw/zinc/45/36/65/522453665.db2.gz IIWXZCINQQBFFV-MRVPVSSYSA-N 1 0 263.297 2.034 10 0 CEAERO C[NH2+][C@H](C)c1sc(N2CCC(OC)CC2)nc1C ZINC000054903148 522456252 /nfs/dbraw/zinc/45/62/52/522456252.db2.gz MZLVLOGTGQSQAS-SECBINFHSA-N 1 0 269.414 2.347 10 0 CEAERO C[NH2+][C@H]1CCCc2cc(OC[C@@H](O)COC(C)C)ccc21 ZINC000070099521 522499130 /nfs/dbraw/zinc/49/91/30/522499130.db2.gz VDFBGEPVIYFNRV-YOEHRIQHSA-N 1 0 293.407 2.448 10 0 CEAERO C[NH2+][C@H]1CCCc2c1cc(OC)c(OC)c2OC ZINC000054742713 522499369 /nfs/dbraw/zinc/49/93/69/522499369.db2.gz FAPMIELPVFMTBD-NSHDSACASA-N 1 0 251.326 2.309 10 0 CEAERO COC(C)(C)C[C@@H](C)[NH2+][C@@H](CO)Cc1ccccc1 ZINC000063218398 522504399 /nfs/dbraw/zinc/50/43/99/522504399.db2.gz AJIKVEULQXWVNU-UKRRQHHQSA-N 1 0 265.397 2.383 10 0 CEAERO C[NH2+][C@H]1CCO[C@H](c2cc(OC)c(OC)cc2OC)C1 ZINC000070340567 522505193 /nfs/dbraw/zinc/50/51/93/522505193.db2.gz AXOGABMBVYYGNH-GWCFXTLKSA-N 1 0 281.352 2.152 10 0 CEAERO C[NH2+][C@H]1CCc2c1cccc2OCc1nccn1C ZINC000062799081 522505612 /nfs/dbraw/zinc/50/56/12/522505612.db2.gz NTZFZNVDHVPXIX-ZDUSSCGKSA-N 1 0 257.337 2.206 10 0 CEAERO CCc1nc2ccccc2n1[C@@H](c1cnn(C)c1)[C@H](C)[NH3+] ZINC000062807217 522507042 /nfs/dbraw/zinc/50/70/42/522507042.db2.gz ALGPTMMUZGWITK-MEDUHNTESA-N 1 0 283.379 2.269 10 0 CEAERO C[NH2+][C@](C)(CCCC[NH+]1CCC(C)(C)CC1)C(=O)[O-] ZINC000061822035 522514407 /nfs/dbraw/zinc/51/44/07/522514407.db2.gz IACWALPDXSZKQG-OAHLLOKOSA-N 1 0 270.417 2.341 10 0 CEAERO C[NH2+][C@](C)(CCCSCc1ccccc1)C(N)=O ZINC000045556785 522515512 /nfs/dbraw/zinc/51/55/12/522515512.db2.gz JONQDVMXFVVSHV-CQSZACIVSA-N 1 0 266.410 2.163 10 0 CEAERO C[NH2+][C@](C)(CCCSc1ccccc1C)C(N)=O ZINC000045591717 522516084 /nfs/dbraw/zinc/51/60/84/522516084.db2.gz KMFRLAPHTQOKGH-CQSZACIVSA-N 1 0 266.410 2.331 10 0 CEAERO CC[C@@H](C[NH2+]C1CC1)N(C)Cc1csc(C)n1 ZINC000052505738 522546027 /nfs/dbraw/zinc/54/60/27/522546027.db2.gz XZCIRLQWCIBWOQ-ZDUSSCGKSA-N 1 0 253.415 2.414 10 0 CEAERO CC[C@H](NC(=O)c1cc[nH+]c(NN)c1)C1CCCCC1 ZINC000052345129 522546532 /nfs/dbraw/zinc/54/65/32/522546532.db2.gz WCRPSUPNJGXOQB-ZDUSSCGKSA-N 1 0 276.384 2.456 10 0 CEAERO CC[C@H](NC(=O)c1c[nH+]c(NN)c(Cl)c1)C(C)C ZINC000051113493 522549662 /nfs/dbraw/zinc/54/96/62/522549662.db2.gz UXVBHUMGAHHOQX-JTQLQIEISA-N 1 0 270.764 2.185 10 0 CEAERO CN(CC(F)(F)F)c1nc2c(s1)[C@H]([NH3+])CCC2 ZINC000054896137 522579358 /nfs/dbraw/zinc/57/93/58/522579358.db2.gz LOSZVIFWSGAQOC-ZCFIWIBFSA-N 1 0 265.304 2.478 10 0 CEAERO CCc1nccn1-c1cnc(C(C)C)nc1C[NH2+]C ZINC000051518111 522579563 /nfs/dbraw/zinc/57/95/63/522579563.db2.gz AKFZNGQTDKVQBU-UHFFFAOYSA-N 1 0 259.357 2.068 10 0 CEAERO CCc1nccn1C[C@@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000052593189 522585925 /nfs/dbraw/zinc/58/59/25/522585925.db2.gz SFPADKUFRBKTKD-STQMWFEESA-N 1 0 265.401 2.381 10 0 CEAERO COC[C@H](C)N(C)[C@@H](C[NH2+]C1CC1)c1ccccc1 ZINC000052511987 522595201 /nfs/dbraw/zinc/59/52/01/522595201.db2.gz ONNAXGXLWPZWAK-BBRMVZONSA-N 1 0 262.397 2.446 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccc(OC)c(OCc2ncccn2)c1 ZINC000054461844 522642624 /nfs/dbraw/zinc/64/26/24/522642624.db2.gz XGNIXSQUUWDFPE-CYBMUJFWSA-N 1 0 287.363 2.344 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccnc(Cc2ccccc2OC)n1 ZINC000054834741 522644904 /nfs/dbraw/zinc/64/49/04/522644904.db2.gz FIVIRNSHCJXSSQ-CYBMUJFWSA-N 1 0 271.364 2.356 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccnc(-c2ccc(OC)c(OC)c2)n1 ZINC000054834949 522645379 /nfs/dbraw/zinc/64/53/79/522645379.db2.gz NNMQVDQNYCUPHW-GFCCVEGCSA-N 1 0 287.363 2.441 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](N(C)Cc1nccn1C)C(C)(C)C ZINC000062247562 522646777 /nfs/dbraw/zinc/64/67/77/522646777.db2.gz GDTVRWMRPKESSS-DGCLKSJQSA-N 1 0 252.406 2.004 10 0 CEAERO CC[C@@H]([NH3+])[C@](O)(c1ccc(F)c(F)c1)C(F)(F)F ZINC000062784732 522654989 /nfs/dbraw/zinc/65/49/89/522654989.db2.gz PTHOBYHQIACRIP-NXEZZACHSA-N 1 0 269.213 2.452 10 0 CEAERO CC[C@@H]([NH3+])c1cnn(Cc2ncc(C)c(OC)c2C)c1 ZINC000054717191 522657417 /nfs/dbraw/zinc/65/74/17/522657417.db2.gz YKRCODTXNLARJF-CYBMUJFWSA-N 1 0 274.368 2.362 10 0 CEAERO CNc1nc2ccccc2cc1C[N@@H+]1CCC[C@H](CO)C1 ZINC000050791787 522690132 /nfs/dbraw/zinc/69/01/32/522690132.db2.gz OSOPQFQGHSBSOL-ZDUSSCGKSA-N 1 0 285.391 2.481 10 0 CEAERO CNc1ncccc1C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000050721270 522705695 /nfs/dbraw/zinc/70/56/95/522705695.db2.gz NNAFVRKGIRTNFF-CYBMUJFWSA-N 1 0 290.411 2.118 10 0 CEAERO COC1CCN([C@@H](C[NH3+])c2cccc3cccnc32)CC1 ZINC000069502432 522707856 /nfs/dbraw/zinc/70/78/56/522707856.db2.gz PJRNHGJQTXCLHW-INIZCTEOSA-N 1 0 285.391 2.345 10 0 CEAERO COc1cc(OC)c(OC)cc1C[NH2+][C@@H]1C[C@H]1C ZINC000052269563 522828125 /nfs/dbraw/zinc/82/81/25/522828125.db2.gz UUUOACBRDQFQSP-MWLCHTKSSA-N 1 0 251.326 2.210 10 0 CEAERO CC[C@@H]([NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)C(C)C ZINC000049129687 522865217 /nfs/dbraw/zinc/86/52/17/522865217.db2.gz RFNZOAPJTDAYLZ-CABCVRRESA-N 1 0 299.436 2.148 10 0 CEAERO CN(CC[NH2+]C[C@H]1CCCO1)c1ccccc1F ZINC000053434354 522867112 /nfs/dbraw/zinc/86/71/12/522867112.db2.gz BDLDBMZIFJRGAX-GFCCVEGCSA-N 1 0 252.333 2.031 10 0 CEAERO COc1cc(OC)cc(OC[C@@H]2CCCC[NH2+]2)c1 ZINC000068835542 522872516 /nfs/dbraw/zinc/87/25/16/522872516.db2.gz NQVGACFMQQCROA-NSHDSACASA-N 1 0 251.326 2.225 10 0 CEAERO CN(CC[C@H]1CCCC[NH2+]1)C(=O)CC[C@@H]1CCCCO1 ZINC000069388404 522933923 /nfs/dbraw/zinc/93/39/23/522933923.db2.gz VPWOUQUGWBQFJB-CABCVRRESA-N 1 0 282.428 2.326 10 0 CEAERO C[N@H+](CCc1ccncc1)CCc1ccccc1N ZINC000052918405 522977502 /nfs/dbraw/zinc/97/75/02/522977502.db2.gz WHENLMJBQDYWCH-UHFFFAOYSA-N 1 0 255.365 2.381 10 0 CEAERO CC[C@H]1CCCC[N@@H+]1Cc1ccnc(C(N)=S)c1 ZINC000068751897 523027946 /nfs/dbraw/zinc/02/79/46/523027946.db2.gz PJBDWBAJJYGGLI-LBPRGKRZSA-N 1 0 263.410 2.480 10 0 CEAERO CC[C@H]1CCCC[C@@H]1n1nnnc1C[NH2+]C(C)C ZINC000054748044 523050570 /nfs/dbraw/zinc/05/05/70/523050570.db2.gz PRHWMNKVTKXVRO-RYUDHWBXSA-N 1 0 251.378 2.312 10 0 CEAERO COC(=O)CCOc1ccc(OC)cc1C[NH2+]CC(C)C ZINC000069317487 523106042 /nfs/dbraw/zinc/10/60/42/523106042.db2.gz XPVJHTNGLMDVMX-UHFFFAOYSA-N 1 0 295.379 2.383 10 0 CEAERO CN(C[C@H]1CCCO1)[C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062710611 523127840 /nfs/dbraw/zinc/12/78/40/523127840.db2.gz AFNWTHWJLVUXQS-MFKMUULPSA-N 1 0 288.313 2.215 10 0 CEAERO CC[C@H]1CCC[C@H](NS(=O)(=O)c2ccccc2C[NH3+])C1 ZINC000068602103 523143211 /nfs/dbraw/zinc/14/32/11/523143211.db2.gz RJRMWWIPLWAOLL-JSGCOSHPSA-N 1 0 296.436 2.392 10 0 CEAERO CN(Cc1ccc(F)cc1)Cc1cccnc1C(N)=[NH2+] ZINC000061658102 523251665 /nfs/dbraw/zinc/25/16/65/523251665.db2.gz ZRZXRPNZUNMIDE-UHFFFAOYSA-N 1 0 272.327 2.137 10 0 CEAERO CCn1c2cc(F)ccc2nc1[C@H](C)N1CC[NH2+]CC1 ZINC000052124673 523257393 /nfs/dbraw/zinc/25/73/93/523257393.db2.gz JGAWDDOGUYLICU-NSHDSACASA-N 1 0 276.359 2.162 10 0 CEAERO COC(=O)N1CC[N@H+](CCc2ccccc2)[C@@H](C)C1 ZINC000062691165 523429751 /nfs/dbraw/zinc/42/97/51/523429751.db2.gz GGRAHWVPENJRKL-ZDUSSCGKSA-N 1 0 262.353 2.002 10 0 CEAERO C[N@@H+](Cc1ccnc(C(N)=S)c1)CC1CCCC1 ZINC000068753080 523451904 /nfs/dbraw/zinc/45/19/04/523451904.db2.gz CPISBBRHQQPJGZ-UHFFFAOYSA-N 1 0 263.410 2.338 10 0 CEAERO CCn1cc([C@@H]([NH3+])c2ccc3ncccc3c2)cn1 ZINC000062802099 523464739 /nfs/dbraw/zinc/46/47/39/523464739.db2.gz QMPGDFQTPRGABU-HNNXBMFYSA-N 1 0 252.321 2.499 10 0 CEAERO COCCC[C@@]1(C[NH2+]CCOC)C[C@H]2CC[C@@H]1C2 ZINC000054639268 523468229 /nfs/dbraw/zinc/46/82/29/523468229.db2.gz QEHJBFWRGRDJIA-ZNMIVQPWSA-N 1 0 255.402 2.455 10 0 CEAERO CC[C@](C)([NH3+])c1noc(CC[C@H]2CCCCO2)n1 ZINC000069403531 523474132 /nfs/dbraw/zinc/47/41/32/523474132.db2.gz LVWMKYWGHYOYSB-MFKMUULPSA-N 1 0 253.346 2.155 10 0 CEAERO CN(Cc1cscn1)C(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050951578 523532360 /nfs/dbraw/zinc/53/23/60/523532360.db2.gz SDPQROXRODPRAU-NSHDSACASA-N 1 0 267.398 2.024 10 0 CEAERO CN(Cc1cscn1)C[C@](C)([NH3+])c1ccccc1 ZINC000052883605 523540446 /nfs/dbraw/zinc/54/04/46/523540446.db2.gz JSJHLYGOKCITFS-AWEZNQCLSA-N 1 0 261.394 2.449 10 0 CEAERO CC[C@]1(C(=O)N[C@@H](C)c2ccc(C)o2)CC[NH2+]C1 ZINC000062892210 523541974 /nfs/dbraw/zinc/54/19/74/523541974.db2.gz BPQGMOIAFBIUPE-FZMZJTMJSA-N 1 0 250.342 2.155 10 0 CEAERO COC(=O)[C@@H](CC[N@@H+]1CCCC(C)(C)C1)NC(C)C ZINC000069516713 523571197 /nfs/dbraw/zinc/57/11/97/523571197.db2.gz CMJOAWREFHUOPV-CYBMUJFWSA-N 1 0 270.417 2.038 10 0 CEAERO COC(=O)[C@@H](CC[N@H+](CC(C)C)C(C)C)NC(C)C ZINC000062525432 523572569 /nfs/dbraw/zinc/57/25/69/523572569.db2.gz JMZSAFQXIFTKSA-CQSZACIVSA-N 1 0 272.433 2.283 10 0 CEAERO COCC[N@H+](C)CCn1ccc2c1CC(C)(C)CC2=O ZINC000061380767 523619426 /nfs/dbraw/zinc/61/94/26/523619426.db2.gz UUKPJSQYCCZQDW-UHFFFAOYSA-N 1 0 278.396 2.221 10 0 CEAERO CN(c1ccc(Br)cn1)[C@H]1CCC[N@H+](C)C1 ZINC000053250797 523633651 /nfs/dbraw/zinc/63/36/51/523633651.db2.gz VCGOKFAOMFYPPY-NSHDSACASA-N 1 0 284.201 2.375 10 0 CEAERO COCCN(C1CC1)[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+] ZINC000054555503 523642144 /nfs/dbraw/zinc/64/21/44/523642144.db2.gz MRZMUWKNBWEKSJ-VHDGCEQUSA-N 1 0 254.418 2.249 10 0 CEAERO CC[C@@](C)([NH3+])c1noc(-c2ccc3nccnc3c2)n1 ZINC000061418860 523645517 /nfs/dbraw/zinc/64/55/17/523645517.db2.gz DYRVXMJEPRXYJB-CQSZACIVSA-N 1 0 269.308 2.264 10 0 CEAERO COCC[N@H+](CC(C)C)C[C@](C)(N)c1ccccc1 ZINC000052883544 523679419 /nfs/dbraw/zinc/67/94/19/523679419.db2.gz KPSRXWNBADOLQQ-INIZCTEOSA-N 1 0 264.413 2.465 10 0 CEAERO CC[C@@]1(C(=O)N2CC[C@@H](C)C[C@@H]2C)CCC[NH2+]C1 ZINC000062860899 523692313 /nfs/dbraw/zinc/69/23/13/523692313.db2.gz FVZBYALDTVQBRU-VNHYZAJKSA-N 1 0 252.402 2.413 10 0 CEAERO CN1C(=O)C[C@@H]([NH3+])[C@H]1c1ccc(Cl)cc1Cl ZINC000062208841 523702490 /nfs/dbraw/zinc/70/24/90/523702490.db2.gz RGVFKTXRBWEYGZ-MWLCHTKSSA-N 1 0 259.136 2.224 10 0 CEAERO COc1ccc(C(=O)NC[C@H]2CCC[C@H](C)[NH2+]2)cc1F ZINC000061668785 523710684 /nfs/dbraw/zinc/71/06/84/523710684.db2.gz DVUIEDPZLGSQRQ-CMPLNLGQSA-N 1 0 280.343 2.095 10 0 CEAERO CCn1nccc1[C@@H](Cc1nc(C)cs1)[NH2+]C ZINC000069472217 523744325 /nfs/dbraw/zinc/74/43/25/523744325.db2.gz PQHYYMDCDRGLDR-SNVBAGLBSA-N 1 0 250.371 2.171 10 0 CEAERO COCCN(c1ccc(Cl)cc1C(N)=[NH2+])[C@@H](C)COC ZINC000052860168 523782861 /nfs/dbraw/zinc/78/28/61/523782861.db2.gz SHVKNFCTMWKWAL-JTQLQIEISA-N 1 0 299.802 2.112 10 0 CEAERO COc1ccc(C)cc1C(=O)N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000052943838 523801829 /nfs/dbraw/zinc/80/18/29/523801829.db2.gz FKNIVYLJUNMAQB-LSDHHAIUSA-N 1 0 288.391 2.360 10 0 CEAERO C[N@@H+]1CCC[C@@H](CNc2ccc3c(c2)OCCO3)C1 ZINC000054239837 523814367 /nfs/dbraw/zinc/81/43/67/523814367.db2.gz PMWSOWLXNUNBOY-LBPRGKRZSA-N 1 0 262.353 2.212 10 0 CEAERO C[N@@H+]1CCC[C@@H](Nc2cccc(Br)n2)C1 ZINC000069017784 523818094 /nfs/dbraw/zinc/81/80/94/523818094.db2.gz FQPBGIJULWRNKM-SECBINFHSA-N 1 0 270.174 2.350 10 0 CEAERO CO[C@H](C(=O)N[C@@H]1CCCCC[C@@H]1[NH3+])c1ccccc1 ZINC000063210358 523830108 /nfs/dbraw/zinc/83/01/08/523830108.db2.gz ZSWTZSNPXASGLV-ZNMIVQPWSA-N 1 0 276.380 2.150 10 0 CEAERO COCCN1C[C@@H](C(C)C)[NH2+]C[C@H]1c1ccccc1 ZINC000062660376 523884072 /nfs/dbraw/zinc/88/40/72/523884072.db2.gz QZGZBOOKJWCKIL-HOTGVXAUSA-N 1 0 262.397 2.304 10 0 CEAERO COc1ccc(C=O)cc1C[N@@H+]1CCC[C@@H]1CCCO ZINC000052761326 523884828 /nfs/dbraw/zinc/88/48/28/523884828.db2.gz GLRWNSLPJPBBNT-OAHLLOKOSA-N 1 0 277.364 2.245 10 0 CEAERO CN(C(=O)Nc1ccccc1F)[C@H]1CCC[NH2+]CC1 ZINC000226459513 523889384 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COc1ccc(C[NH2+]CC(C)C)cc1OC[C@H](C)O ZINC000062732532 524069365 /nfs/dbraw/zinc/06/93/65/524069365.db2.gz KYHBLUMYQGMQLS-LBPRGKRZSA-N 1 0 267.369 2.200 10 0 CEAERO C[C@H]1CCC[C@@H](C(=O)NCCC2CCCC2)[C@@H]1[NH3+] ZINC000055130610 524127368 /nfs/dbraw/zinc/12/73/68/524127368.db2.gz BZKQRKMUYNXXLA-IACUBPJLSA-N 1 0 252.402 2.446 10 0 CEAERO C[C@H](CC[NH+](C)C)Nc1ccccc1C(N)=S ZINC000049560158 524169757 /nfs/dbraw/zinc/16/97/57/524169757.db2.gz LDCWDHUFOYCOSW-SNVBAGLBSA-N 1 0 251.399 2.073 10 0 CEAERO C[C@@H]1CCCN(C(=O)C2CCC(C[NH3+])CC2)[C@H]1C ZINC000055148165 524186597 /nfs/dbraw/zinc/18/65/97/524186597.db2.gz WJGXPJJKHOWPAO-KBHBFKLGSA-N 1 0 252.402 2.399 10 0 CEAERO C[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2C[NH3+])[C@@H]1C ZINC000050564990 524237874 /nfs/dbraw/zinc/23/78/74/524237874.db2.gz XEAFWSYWBSEUFG-CHWSQXEVSA-N 1 0 296.436 2.096 10 0 CEAERO Cc1ccc(CC(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1C ZINC000061883725 524270627 /nfs/dbraw/zinc/27/06/27/524270627.db2.gz MPLVRASJKXIIGN-HUUCEWRRSA-N 1 0 260.381 2.090 10 0 CEAERO Cc1ccc(CC(=O)N[C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000063210785 524271587 /nfs/dbraw/zinc/27/15/87/524271587.db2.gz WMKIMZVOKNHCRI-GJZGRUSLSA-N 1 0 260.381 2.314 10 0 CEAERO Cc1ccc(CCC(=O)N2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000052946117 524291205 /nfs/dbraw/zinc/29/12/05/524291205.db2.gz RSHWOPUWMGZBDM-MQVJKMGUSA-N 1 0 272.392 2.408 10 0 CEAERO C[C@H](C[NH3+])C(=O)Nc1cccc(NC(=O)c2ccco2)c1 ZINC000054344877 524305049 /nfs/dbraw/zinc/30/50/49/524305049.db2.gz LVLZZPRHFHDJJW-SNVBAGLBSA-N 1 0 287.319 2.065 10 0 CEAERO C[C@H]1CCN(c2cc(C(N)=[NH2+])c3ccccc3n2)C1 ZINC000068797830 524305534 /nfs/dbraw/zinc/30/55/34/524305534.db2.gz VJIVNJPDFDNTJI-JTQLQIEISA-N 1 0 254.337 2.365 10 0 CEAERO C[C@H](CN1CCCC1)[NH2+][C@H](C)c1ccc(NC(N)=O)cc1 ZINC000049151229 524318407 /nfs/dbraw/zinc/31/84/07/524318407.db2.gz KSPPJGSNKVDFBB-CHWSQXEVSA-N 1 0 290.411 2.312 10 0 CEAERO C[C@H](CN1CCCCC1)[NH2+]C[C@@H](O)c1cccs1 ZINC000049501243 524333612 /nfs/dbraw/zinc/33/36/12/524333612.db2.gz NAPWEDRDPRYGCA-CHWSQXEVSA-N 1 0 268.426 2.246 10 0 CEAERO C[C@H](C[NH+]1CCCCC1)NCc1nccn1C(F)F ZINC000049501706 524333931 /nfs/dbraw/zinc/33/39/31/524333931.db2.gz NWJALHFUOGUMMS-LLVKDONJSA-N 1 0 272.343 2.242 10 0 CEAERO Cc1cc(C)c([C@H]([NH3+])Cn2ccc(=O)cc2)c(C)c1 ZINC000061627972 524335610 /nfs/dbraw/zinc/33/56/10/524335610.db2.gz UYNUKJXVYFMLEC-OAHLLOKOSA-N 1 0 256.349 2.474 10 0 CEAERO C[C@@H](CC(=O)N[C@@H](C)c1ccccn1)[C@H]1CCC[NH2+]C1 ZINC000157722780 524379300 /nfs/dbraw/zinc/37/93/00/524379300.db2.gz LIAUMXIRLWKHEQ-IHRRRGAJSA-N 1 0 275.396 2.285 10 0 CEAERO COc1ccccc1CCN(C)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000156332870 524406521 /nfs/dbraw/zinc/40/65/21/524406521.db2.gz MOSHCCIZRPERLN-GJZGRUSLSA-N 1 0 290.407 2.214 10 0 CEAERO COc1ccc(N2CC[C@@H](C[NH2+]CC(C)C)C2)cn1 ZINC000053012209 524440798 /nfs/dbraw/zinc/44/07/98/524440798.db2.gz YTCJVZJBRMKAHM-ZDUSSCGKSA-N 1 0 263.385 2.162 10 0 CEAERO Cc1cccc(CS[C@H](C)C(=O)N2CC[NH2+]CC2)c1 ZINC000054966296 524461370 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ZINC000069134929 524699960 /nfs/dbraw/zinc/69/99/60/524699960.db2.gz DQJKBNUPHWIYJA-QWRGUYRKSA-N 1 0 290.342 2.058 10 0 CEAERO Cc1cc(C[NH2+]C2CCN(C3CC3)CC2)c(C)n1C ZINC000052790225 524752263 /nfs/dbraw/zinc/75/22/63/524752263.db2.gz NDSPJDHEJPJEHG-UHFFFAOYSA-N 1 0 261.413 2.358 10 0 CEAERO C[C@@H](CNc1cc(Cl)ccc1C(N)=S)[NH+](C)C ZINC000062788463 524753205 /nfs/dbraw/zinc/75/32/05/524753205.db2.gz HHAUETOLDCWKHH-QMMMGPOBSA-N 1 0 271.817 2.336 10 0 CEAERO Cc1cc(C[NH2+]CCCOC[C@H]2CCCO2)c(C)n1C ZINC000052789744 524754724 /nfs/dbraw/zinc/75/47/24/524754724.db2.gz GZBCWVGLGOTSQE-MRXNPFEDSA-N 1 0 280.412 2.317 10 0 CEAERO C[C@@H]1CN(C(=O)C2CC2)CC[N@@H+]1CCc1ccccc1 ZINC000062691018 524758398 /nfs/dbraw/zinc/75/83/98/524758398.db2.gz WIOZXKJSSSNIMH-CQSZACIVSA-N 1 0 272.392 2.172 10 0 CEAERO Cc1cccc(O[C@@H](C)C[C@](C)([NH2+]C2CC2)C(N)=O)c1C ZINC000068655468 524776297 /nfs/dbraw/zinc/77/62/97/524776297.db2.gz NWWRKMDTJFWBGT-SJCJKPOMSA-N 1 0 290.407 2.457 10 0 CEAERO Cc1cc(C[C@@H](C)[NH3+])nc(Cc2ccccc2F)n1 ZINC000054835116 524820774 /nfs/dbraw/zinc/82/07/74/524820774.db2.gz HYNPHQJMSGKZBG-SNVBAGLBSA-N 1 0 259.328 2.405 10 0 CEAERO COc1ccsc1C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000161682911 524873799 /nfs/dbraw/zinc/87/37/99/524873799.db2.gz GMFYBTSZUKWAOR-LLVKDONJSA-N 1 0 276.361 2.187 10 0 CEAERO COc1ccc(OC)c([C@H]([NH3+])Cc2cccnc2)c1 ZINC000055234825 524908425 /nfs/dbraw/zinc/90/84/25/524908425.db2.gz KDJLVTULWBRPNC-CQSZACIVSA-N 1 0 258.321 2.341 10 0 CEAERO C[C@H]1C[C@H](OC(=O)CN2CCC[NH2+]CC2)CC(C)(C)C1 ZINC000061145862 524936968 /nfs/dbraw/zinc/93/69/68/524936968.db2.gz OXALZSWVAZAFHU-KBPBESRZSA-N 1 0 282.428 2.040 10 0 CEAERO Cc1ccc(N2CCC(C[NH2+]CC(C)C)CC2)nn1 ZINC000053691631 524938260 /nfs/dbraw/zinc/93/82/60/524938260.db2.gz QBWJRDIVSNRWDG-UHFFFAOYSA-N 1 0 262.401 2.247 10 0 CEAERO C[C@@H]1CN(CCn2cccn2)[C@H](C2CCCCC2)C[NH2+]1 ZINC000068699262 524961753 /nfs/dbraw/zinc/96/17/53/524961753.db2.gz STYKPWLCDWTSFK-ZBFHGGJFSA-N 1 0 276.428 2.126 10 0 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CATBJJAQZCJBIG-ZFWWWQNUSA-N 1 0 281.421 2.464 10 0 CEAERO C[C@]([NH3+])(C(=O)Nc1nc(C2CC2)cs1)C1CC1 ZINC000049237156 525147507 /nfs/dbraw/zinc/14/75/07/525147507.db2.gz JAGZHSDDFYLUGT-GFCCVEGCSA-N 1 0 251.355 2.086 10 0 CEAERO C[C@](O)(COc1ccc2c(c1)OC[C@@H]2[NH3+])c1ccccc1 ZINC000062803390 525183235 /nfs/dbraw/zinc/18/32/35/525183235.db2.gz HQCCGDWYAUVYBM-RDJZCZTQSA-N 1 0 285.343 2.365 10 0 CEAERO COc1ccc([C@@H](O)[C@H]([NH3+])CC(C)C)c(OC)c1OC ZINC000054929608 525208694 /nfs/dbraw/zinc/20/86/94/525208694.db2.gz ZBIIVRLUZZRGHM-DGCLKSJQSA-N 1 0 283.368 2.119 10 0 CEAERO COc1ccc([C@@H](O)[C@@H]([NH3+])c2ccccc2)cc1OC ZINC000054682352 525208873 /nfs/dbraw/zinc/20/88/73/525208873.db2.gz WTJNLWXCIYIEEW-JKSUJKDBSA-N 1 0 273.332 2.437 10 0 CEAERO C[C@@H](NC(=O)[C@@H](C[NH3+])c1ccccc1)c1ccncc1 ZINC000061611308 525262891 /nfs/dbraw/zinc/26/28/91/525262891.db2.gz RMKYDVWCQUDBST-DOMZBBRYSA-N 1 0 269.348 2.001 10 0 CEAERO CS(=O)(=O)c1ccc(Sc2cc(C[NH3+])ccn2)cc1 ZINC000063131474 525265064 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CSC[C@@H](C)CNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000069448775 525617124 /nfs/dbraw/zinc/61/71/24/525617124.db2.gz TWBNIBLCFPYQPF-AAEUAGOBSA-N 1 0 266.410 2.192 10 0 CEAERO C[C@@H]([NH2+][C@H](C(=O)[O-])c1ccccc1)[C@@H]1CCC[N@H+](C)C1 ZINC000050509519 525656200 /nfs/dbraw/zinc/65/62/00/525656200.db2.gz AJFRDKVIGLPPMT-YUELXQCFSA-N 1 0 276.380 2.132 10 0 CEAERO C[C@@H]([NH2+][C@H]1CCCS(=O)(=O)C1)c1ccc2c(c1)CCC2 ZINC000069141032 525680132 /nfs/dbraw/zinc/68/01/32/525680132.db2.gz LJUUQNZFWCVLQF-WBMJQRKESA-N 1 0 293.432 2.403 10 0 CEAERO C[C@@H](Nc1nccn(C2CC2)c1=O)c1ccc(C[NH3+])cc1 ZINC000061759141 525733087 /nfs/dbraw/zinc/73/30/87/525733087.db2.gz BGXMFGPSMNBZME-LLVKDONJSA-N 1 0 284.363 2.210 10 0 CEAERO Cc1c(Cl)cccc1NS(=O)(=O)C1CC[NH2+]CC1 ZINC000049640673 525779565 /nfs/dbraw/zinc/77/95/65/525779565.db2.gz MXIIKIZFRWTTPR-UHFFFAOYSA-N 1 0 288.800 2.142 10 0 CEAERO Cc1ccc([C@@H](O)[C@H](C)[N@@H+]2CCC[C@@H]2CN(C)C)cc1 ZINC000061652608 525781965 /nfs/dbraw/zinc/78/19/65/525781965.db2.gz HOYXKIRDBRCSNU-UAGQMJEPSA-N 1 0 276.424 2.443 10 0 CEAERO Cc1ccc(-c2nc(CN3[C@H](C)C[NH2+]C[C@H]3C)no2)cc1 ZINC000069134660 525812949 /nfs/dbraw/zinc/81/29/49/525812949.db2.gz KUGMVJBEOWPQOA-CHWSQXEVSA-N 1 0 286.379 2.227 10 0 CEAERO Cc1ccc(-c2nc([C@@H]3CCC[NH2+]C3)no2)c(C)n1 ZINC000062256756 525821626 /nfs/dbraw/zinc/82/16/26/525821626.db2.gz CNFXBBKYQISGJP-LLVKDONJSA-N 1 0 258.325 2.215 10 0 CEAERO C[C@H](O)c1cccc(NC(=O)N[C@@H](C)CC[NH+](C)C)c1 ZINC000049562067 525859154 /nfs/dbraw/zinc/85/91/54/525859154.db2.gz YISGKLABJBZIEH-RYUDHWBXSA-N 1 0 279.384 2.202 10 0 CEAERO C[C@@H](O)c1ccccc1NC(=O)CC1CC[NH2+]CC1 ZINC000049547380 525871507 /nfs/dbraw/zinc/87/15/07/525871507.db2.gz PRQRYYGIIYTZLD-LLVKDONJSA-N 1 0 262.353 2.068 10 0 CEAERO C[C@H](O)c1cnc(N2CC[NH+](C3CCCC3)CC2)s1 ZINC000054911552 525874989 /nfs/dbraw/zinc/87/49/89/525874989.db2.gz WKLKSCQXYYITQY-NSHDSACASA-N 1 0 281.425 2.261 10 0 CEAERO C[C@@]1(c2ccc3c(c2)OCCO3)C[C@@H]1C[NH2+]C1CC1 ZINC000054596125 525891641 /nfs/dbraw/zinc/89/16/41/525891641.db2.gz HDGQYEQNMMRFGK-WBMJQRKESA-N 1 0 259.349 2.487 10 0 CEAERO C[C@@]1(c2ccccc2)CN(Cc2ccncc2)CC[NH2+]1 ZINC000068693747 525902215 /nfs/dbraw/zinc/90/22/15/525902215.db2.gz UVKRHAGWZGFUTA-KRWDZBQOSA-N 1 0 267.376 2.402 10 0 CEAERO C[C@@]1(c2nc(Cc3ccccc3)no2)CCC[NH2+]C1 ZINC000062871656 525910354 /nfs/dbraw/zinc/91/03/54/525910354.db2.gz DXRJFONFDAIOGO-OAHLLOKOSA-N 1 0 257.337 2.302 10 0 CEAERO C[NH2+][C@H]1CCCN(c2cccc(C(F)(F)F)n2)C1 ZINC000053204685 536415366 /nfs/dbraw/zinc/41/53/66/536415366.db2.gz QILISLRSIQVCIH-VIFPVBQESA-N 1 0 259.275 2.289 10 0 CEAERO C[C@H](Oc1cccc2c1CC[C@H]2[NH3+])C(=O)NC(C)(C)C ZINC000062798660 525952086 /nfs/dbraw/zinc/95/20/86/525952086.db2.gz HZWOPOFSAIGWMM-GXFFZTMASA-N 1 0 276.380 2.315 10 0 CEAERO COc1cccc(C[NH2+]C(C)(C)C)c1OCCCO ZINC000062732259 526009106 /nfs/dbraw/zinc/00/91/06/526009106.db2.gz CYSUPQXFQKMKNX-UHFFFAOYSA-N 1 0 267.369 2.345 10 0 CEAERO COc1cccc(C[NH2+][C@@H](CN(C)C)C(C)C)c1 ZINC000049195111 526031888 /nfs/dbraw/zinc/03/18/88/526031888.db2.gz LYZYKEAHUYMSRQ-HNNXBMFYSA-N 1 0 250.386 2.371 10 0 CEAERO COc1cccc(COCc2cccnc2C(N)=[NH2+])c1 ZINC000061658486 526055439 /nfs/dbraw/zinc/05/54/39/526055439.db2.gz VUVNJBUUQBCKGJ-UHFFFAOYSA-N 1 0 271.320 2.091 10 0 CEAERO C[C@@H](c1nc(-c2cnccn2)no1)[C@H]([NH3+])c1ccccc1 ZINC000157958759 526164617 /nfs/dbraw/zinc/16/46/17/526164617.db2.gz POVYHYCDCDHRDU-MFKMUULPSA-N 1 0 281.319 2.330 10 0 CEAERO Cc1ccc(C(=O)NC[C@H]2CC[C@H](C)[NH2+]C2)c(C)c1 ZINC000062036673 526182828 /nfs/dbraw/zinc/18/28/28/526182828.db2.gz WBUXXOPKLZWZJG-KBPBESRZSA-N 1 0 260.381 2.421 10 0 CEAERO COc1cccc(OC)c1C(=O)N[C@@H]1CCCCC[C@H]1[NH3+] ZINC000063211342 526217145 /nfs/dbraw/zinc/21/71/45/526217145.db2.gz DZZUEZXRAWBPTL-VXGBXAGGSA-N 1 0 292.379 2.094 10 0 CEAERO Cc1ccc2cccc(OC[C@@H]3CC[C@@H](C[NH3+])O3)c2n1 ZINC000052698010 526239216 /nfs/dbraw/zinc/23/92/16/526239216.db2.gz OUUOKWHYDDGBTC-KBPBESRZSA-N 1 0 272.348 2.428 10 0 CEAERO Cc1ccc2[nH]c(SC[C@@H](O)C[NH2+]C3CC3)nc2c1 ZINC000061440384 526254607 /nfs/dbraw/zinc/25/46/07/526254607.db2.gz HACXTUGYAGVVAE-NSHDSACASA-N 1 0 277.393 2.076 10 0 CEAERO C[C@H](CC(N)=O)C[C@H]([NH3+])c1ccc(Br)cc1 ZINC000061829955 526259869 /nfs/dbraw/zinc/25/98/69/526259869.db2.gz HSJBGZBUDQAMCR-KWQFWETISA-N 1 0 285.185 2.351 10 0 CEAERO Cc1nn(CCCOCC(F)(F)F)c(C)c1[C@H](C)[NH3+] ZINC000054716560 526280411 /nfs/dbraw/zinc/28/04/11/526280411.db2.gz FQZUEGPHJNPCCJ-QMMMGPOBSA-N 1 0 279.306 2.489 10 0 CEAERO Cc1nn(C[C@@H](O)C[N@@H+](C)C2CCCCCC2)c(C)c1N ZINC000069368289 526284295 /nfs/dbraw/zinc/28/42/95/526284295.db2.gz IVWJEWOHRXSJEC-HNNXBMFYSA-N 1 0 294.443 2.098 10 0 CEAERO c1[nH]c2ccccc2c1CC[NH2+]Cc1ccncn1 ZINC000054788728 526393272 /nfs/dbraw/zinc/39/32/72/526393272.db2.gz GCZUSFOCUYINJJ-UHFFFAOYSA-N 1 0 252.321 2.290 10 0 CEAERO c1c(COCC[C@H]2CCCC[NH2+]2)nc2ccccn12 ZINC000051862179 526401704 /nfs/dbraw/zinc/40/17/04/526401704.db2.gz SQNPBUZUEXVISZ-CYBMUJFWSA-N 1 0 259.353 2.383 10 0 CEAERO Cc1csc2nc(C)c(CN[C@@H](C)CC[NH+](C)C)n12 ZINC000049554051 526452535 /nfs/dbraw/zinc/45/25/35/526452535.db2.gz BHSRANAOPYCERJ-JTQLQIEISA-N 1 0 280.441 2.442 10 0 CEAERO c1ccc2nc(CN3CC[NH2+][C@@H](C4CC4)C3)ccc2c1 ZINC000068692671 526516625 /nfs/dbraw/zinc/51/66/25/526516625.db2.gz GYXJMYHINUZSRF-QGZVFWFLSA-N 1 0 267.376 2.419 10 0 CEAERO Cc1nnc(Sc2cccc(Cl)c2C[NH3+])[nH]1 ZINC000052905699 526533893 /nfs/dbraw/zinc/53/38/93/526533893.db2.gz KCBUBTDOWHZIGU-UHFFFAOYSA-N 1 0 254.746 2.376 10 0 CEAERO c1cnc2ccc(CN3CC[NH2+]C[C@H]3C3CC3)cc2c1 ZINC000068695906 526544694 /nfs/dbraw/zinc/54/46/94/526544694.db2.gz RXIFHHQVBZZSAH-KRWDZBQOSA-N 1 0 267.376 2.419 10 0 CEAERO O=C(CC[C@@H]1CCCC[NH2+]1)NC[C@H]1Cc2ccccc21 ZINC000050945245 526548470 /nfs/dbraw/zinc/54/84/70/526548470.db2.gz WGPFZQLSKNFDIZ-CABCVRRESA-N 1 0 272.392 2.365 10 0 CEAERO O=C(CC[C@@H]1CCCC[NH2+]1)NCc1ccsc1 ZINC000063154763 526548599 /nfs/dbraw/zinc/54/85/99/526548599.db2.gz POXVAWRDMJUWFZ-LBPRGKRZSA-N 1 0 252.383 2.287 10 0 CEAERO O=C(CC[C@H]1CCCC[NH2+]1)NCc1cccs1 ZINC000050941402 526565646 /nfs/dbraw/zinc/56/56/46/526565646.db2.gz DLFVSNNNSYEVDF-LLVKDONJSA-N 1 0 252.383 2.287 10 0 CEAERO O=C(CC[C@H]1CCCC[NH2+]1)Nc1ccc2c[nH]nc2c1 ZINC000050944828 526565666 /nfs/dbraw/zinc/56/56/66/526565666.db2.gz UJNIKEXTZNMGBP-GFCCVEGCSA-N 1 0 272.352 2.424 10 0 CEAERO c1csc(CC[NH2+]CCSc2ncccn2)c1 ZINC000053618588 526578985 /nfs/dbraw/zinc/57/89/85/526578985.db2.gz DXVMOVUIRPBLFV-UHFFFAOYSA-N 1 0 265.407 2.463 10 0 CEAERO c1csc(CNC[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)n1 ZINC000049538978 526580900 /nfs/dbraw/zinc/58/09/00/526580900.db2.gz DYSCUZSGHFZFDY-WOPDTQHZSA-N 1 0 251.399 2.153 10 0 CEAERO Cc1oc(CN2CCOC[C@@H]2C)cc1C[NH2+]C1CC1 ZINC000052475812 526771769 /nfs/dbraw/zinc/77/17/69/526771769.db2.gz QCQRMCWMWAOXTP-NSHDSACASA-N 1 0 264.369 2.061 10 0 CEAERO NC(=[NH2+])c1cc(COc2cc(F)ccc2F)ccn1 ZINC000068762748 526819460 /nfs/dbraw/zinc/81/94/60/526819460.db2.gz PBCSIGWQNBGVBJ-UHFFFAOYSA-N 1 0 263.247 2.223 10 0 CEAERO NC(=[NH2+])c1cc(CN2CCCc3ccccc32)ccn1 ZINC000068761039 526819977 /nfs/dbraw/zinc/81/99/77/526819977.db2.gz MYVPMGFAMCCXGE-UHFFFAOYSA-N 1 0 266.348 2.318 10 0 CEAERO NC(=[NH2+])c1ccc(N2CCSCC2)c(Cl)c1 ZINC000062793963 526822974 /nfs/dbraw/zinc/82/29/74/526822974.db2.gz TVOYFAMETOVFBD-UHFFFAOYSA-N 1 0 255.774 2.177 10 0 CEAERO Cc1ncc(C[NH2+]CCn2c(C)nc3ccccc32)[nH]1 ZINC000054798587 526887797 /nfs/dbraw/zinc/88/77/97/526887797.db2.gz IMLSPIZALYSYQY-UHFFFAOYSA-N 1 0 269.352 2.166 10 0 CEAERO Cc1nc(Cc2nc3c(s2)C[NH2+]CC3)cs1 ZINC000055296771 526929155 /nfs/dbraw/zinc/92/91/55/526929155.db2.gz IRTBHAPFYHBYRI-UHFFFAOYSA-N 1 0 251.380 2.145 10 0 CEAERO NC(=O)c1c(Cl)cccc1N[C@@H]1CCCC[C@H]1[NH3+] ZINC000052906015 527018463 /nfs/dbraw/zinc/01/84/63/527018463.db2.gz LPNCJXZRPBVQBV-NXEZZACHSA-N 1 0 267.760 2.121 10 0 CEAERO NC(=O)c1ccc(Cl)cc1OCC[C@H]1CCCC[NH2+]1 ZINC000062786589 527053485 /nfs/dbraw/zinc/05/34/85/527053485.db2.gz AWSPKXOSJDGRTR-LLVKDONJSA-N 1 0 282.771 2.350 10 0 CEAERO NC(=O)c1ccc(Cl)cc1OC1CCC([NH3+])CC1 ZINC000062786616 527053708 /nfs/dbraw/zinc/05/37/08/527053708.db2.gz GRNARKMSLIAPLZ-UHFFFAOYSA-N 1 0 268.744 2.088 10 0 CEAERO [NH3+]CCCN(c1ncnc2c1CCC2)C1CCCC1 ZINC000061276277 527180141 /nfs/dbraw/zinc/18/01/41/527180141.db2.gz VCEQHTRFMVHUME-UHFFFAOYSA-N 1 0 260.385 2.063 10 0 CEAERO [NH3+]CCC[C@@H]1CCCN1C(=O)CC[C@H]1CCCCO1 ZINC000069405742 527182979 /nfs/dbraw/zinc/18/29/79/527182979.db2.gz SRZGIKSEHDXVEH-ZIAGYGMSSA-N 1 0 268.401 2.066 10 0 CEAERO [NH3+]C[C@@H](Sc1nnc2ccccn21)c1ccco1 ZINC000061406375 527206718 /nfs/dbraw/zinc/20/67/18/527206718.db2.gz AXEUYPHDVLGQIF-SNVBAGLBSA-N 1 0 260.322 2.114 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1Sc1nnc2ccccn21 ZINC000061407149 527210857 /nfs/dbraw/zinc/21/08/57/527210857.db2.gz KXPQAANGHNFWQQ-WDEREUQCSA-N 1 0 262.382 2.339 10 0 CEAERO [NH3+]C[C@@H]1CC[C@H](COc2cccc3cccnc32)O1 ZINC000052693910 527219783 /nfs/dbraw/zinc/21/97/83/527219783.db2.gz HZGAFFUNWKGVFF-QWHCGFSZSA-N 1 0 258.321 2.120 10 0 CEAERO [NH3+]Cc1cc(COc2cccc(F)c2F)ccn1 ZINC000068751919 527247790 /nfs/dbraw/zinc/24/77/90/527247790.db2.gz GSCGAGFSAIRMEL-UHFFFAOYSA-N 1 0 250.248 2.398 10 0 CEAERO [NH3+]Cc1cc2ccccc2nc1N1CCC[C@@H]1CCCO ZINC000052761680 527250219 /nfs/dbraw/zinc/25/02/19/527250219.db2.gz BSNDBMFIGKRVMW-OAHLLOKOSA-N 1 0 285.391 2.435 10 0 CEAERO [NH3+]Cc1ccc(N(C(=O)[C@H]2CCCCO2)C2CC2)cc1 ZINC000050958422 527255089 /nfs/dbraw/zinc/25/50/89/527255089.db2.gz QUJRYTZQCGKJKS-OAHLLOKOSA-N 1 0 274.364 2.210 10 0 CEAERO [NH3+]Cc1ccc(NC(=O)c2ccc3ncccc3c2)nc1 ZINC000061410589 527255604 /nfs/dbraw/zinc/25/56/04/527255604.db2.gz DUXAIAOBPXPGRQ-UHFFFAOYSA-N 1 0 278.315 2.341 10 0 CEAERO [NH3+][C@@H](Cc1ccccc1Br)c1cncnc1 ZINC000055335183 527337605 /nfs/dbraw/zinc/33/76/05/527337605.db2.gz BCVNPKAXWBSTKD-LBPRGKRZSA-N 1 0 278.153 2.482 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@@H]1NC(=O)c1cc(F)ccc1F ZINC000063211636 527341340 /nfs/dbraw/zinc/34/13/40/527341340.db2.gz GUBMUOCUNUCASX-OLZOCXBDSA-N 1 0 268.307 2.355 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@H]1NC(=O)Cc1ccsc1 ZINC000063210685 527341614 /nfs/dbraw/zinc/34/16/14/527341614.db2.gz MDPDEECLDQLWBK-VXGBXAGGSA-N 1 0 252.383 2.067 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@H]1NC(=O)c1ccc(F)cc1F ZINC000063212172 527341962 /nfs/dbraw/zinc/34/19/62/527341962.db2.gz AQAZGDGTSDONNO-CHWSQXEVSA-N 1 0 268.307 2.355 10 0 CEAERO [NH3+][C@H]1CCCCC[C@@H]1NC(=O)CCOc1ccccc1 ZINC000063211018 527394046 /nfs/dbraw/zinc/39/40/46/527394046.db2.gz GOZYZVGLBFQCNG-GJZGRUSLSA-N 1 0 276.380 2.232 10 0 CEAERO [NH3+][C@H]1CCC(=O)N(C2CC2)[C@@H]1c1cccc(Cl)c1 ZINC000062211705 527394400 /nfs/dbraw/zinc/39/44/00/527394400.db2.gz CSUAQNYUQPVGSK-GXTWGEPZSA-N 1 0 264.756 2.493 10 0 CEAERO [NH3+][C@H]1CCCCC[C@@H]1NC(=O)c1cccn1C1CC1 ZINC000063210877 527395629 /nfs/dbraw/zinc/39/56/29/527395629.db2.gz DTRWKTMQFPRNDK-STQMWFEESA-N 1 0 261.369 2.213 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCc2ccccc21 ZINC000063172426 527404695 /nfs/dbraw/zinc/40/46/95/527404695.db2.gz CVOQCJQIVBIPEW-ILXRZTDVSA-N 1 0 258.365 2.103 10 0 CEAERO O=C(Nc1nc2c(s1)C[NH2+]CC2)C1(c2ccccc2)CC1 ZINC000061618318 527512845 /nfs/dbraw/zinc/51/28/45/527512845.db2.gz UFXBKZKCHCAHNP-UHFFFAOYSA-N 1 0 299.399 2.459 10 0 CEAERO Cc1nn(C)c(-n2cc(-c3ccccc3)cn2)c1C[NH3+] ZINC000054961625 527596418 /nfs/dbraw/zinc/59/64/18/527596418.db2.gz GZFYBWUBXDEDBI-UHFFFAOYSA-N 1 0 267.336 2.040 10 0 CEAERO FC(F)(F)CO[C@@H]1CCC[C@@H]([NH2+]Cc2cncnc2)C1 ZINC000054767842 527671452 /nfs/dbraw/zinc/67/14/52/527671452.db2.gz DKXNXBYNBPCDIP-VXGBXAGGSA-N 1 0 289.301 2.456 10 0 CEAERO FC(F)(F)CO[C@H]1CCC[C@H]([NH2+]Cc2ccncn2)C1 ZINC000054789530 527672038 /nfs/dbraw/zinc/67/20/38/527672038.db2.gz GOYVXJXBYDUSAB-JQWIXIFHSA-N 1 0 289.301 2.456 10 0 CEAERO Cc1nn(C)c(N2CCSCC2)c1C[NH2+]C(C)(C)C ZINC000062734938 527676629 /nfs/dbraw/zinc/67/66/29/527676629.db2.gz YWYNGYBKSPXDDR-UHFFFAOYSA-N 1 0 282.457 2.170 10 0 CEAERO Cc1nn(C2CC[NH2+]CC2)c(C)c1Br ZINC000050593341 527700973 /nfs/dbraw/zinc/70/09/73/527700973.db2.gz MMQSQTDUAPYYJZ-UHFFFAOYSA-N 1 0 258.163 2.187 10 0 CEAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1cc(C(=O)OC)c(C)n1C ZINC000291318817 527830929 /nfs/dbraw/zinc/83/09/29/527830929.db2.gz YPBJFSQHGBAEIA-RISCZKNCSA-N 1 0 264.369 2.398 10 0 CEAERO CCCn1cc(C[NH2+][C@@H](CC(C)C)CN(C)C)cn1 ZINC000116916430 528846668 /nfs/dbraw/zinc/84/66/68/528846668.db2.gz XLVMPCBOFUHQGY-HNNXBMFYSA-N 1 0 266.433 2.359 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1noc(C(C)C)n1 ZINC000175335253 529098857 /nfs/dbraw/zinc/09/88/57/529098857.db2.gz QLSPZHUSKLQUKD-LBPRGKRZSA-N 1 0 266.389 2.109 10 0 CEAERO CCS(=O)(=O)c1ccccc1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000093213809 529173325 /nfs/dbraw/zinc/17/33/25/529173325.db2.gz PUYWWLKZTGAPQN-VXGBXAGGSA-N 1 0 282.409 2.162 10 0 CEAERO CC(C)C[NH2+]Cc1cncc(N2C[C@@H](C)OC(C)(C)C2)n1 ZINC000091420400 535169296 /nfs/dbraw/zinc/16/92/96/535169296.db2.gz WKWABTKQMZOJBB-CYBMUJFWSA-N 1 0 292.427 2.226 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccnc(N2CCCC[C@@H]2CO)c1 ZINC000094998527 535186562 /nfs/dbraw/zinc/18/65/62/535186562.db2.gz JPFCODXHIXHDHX-DZGCQCFKSA-N 1 0 277.412 2.493 10 0 CEAERO CCCc1noc(-c2ccc(N3CCC([NH3+])CC3)nc2)n1 ZINC000070457757 535552947 /nfs/dbraw/zinc/55/29/47/535552947.db2.gz IKCUAOZALQPDIW-UHFFFAOYSA-N 1 0 287.367 2.012 10 0 CEAERO COc1ccc(Br)c(N2CC[NH2+][C@@H](C)C2)c1 ZINC000083869881 536630405 /nfs/dbraw/zinc/63/04/05/536630405.db2.gz UWHXEFBDGUADDM-VIFPVBQESA-N 1 0 285.185 2.256 10 0 CEAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1sccc1Cl ZINC000309781300 538741981 /nfs/dbraw/zinc/74/19/81/538741981.db2.gz MYVQPZZHMFEAJX-APPZFPTMSA-N 1 0 258.774 2.158 10 0 CEAERO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)/C=C/c1ccccc1 ZINC000015120926 560228823 /nfs/dbraw/zinc/22/88/23/560228823.db2.gz MIGGJPIAMPJCES-XACNLCELSA-N 1 0 258.365 2.251 10 0 in-vitro CEAERO CC(C)n1cc([C@H]2C[NH2+]C[C@@H]2C(=O)OC(C)(C)C)cn1 ZINC000757188939 574511826 /nfs/dbraw/zinc/51/18/26/574511826.db2.gz LFSCOIIDAAAEBY-OLZOCXBDSA-N 1 0 279.384 2.109 10 0 CEAERO CC(C)(C)OC(=O)N(CCF)c1ccc(C[NH3+])nc1 ZINC000757135990 574510149 /nfs/dbraw/zinc/51/01/49/574510149.db2.gz XMLIQRNLNAZCOV-UHFFFAOYSA-N 1 0 269.320 2.251 10 0 CEAERO CCC1(CC)CNC2(C[C@H]3CC[C@@H](C2)[N@H+]3C)OC1 ZINC000757153497 574511102 /nfs/dbraw/zinc/51/11/02/574511102.db2.gz WYDXQQFHPRMUFR-NNQSOWQGSA-N 1 0 252.402 2.366 10 0 CEAERO CN(C)c1cc[nH+]c(-c2cccc(F)c2C=O)c1N ZINC000757572111 574514148 /nfs/dbraw/zinc/51/41/48/574514148.db2.gz OBSSMXLKABSSNQ-UHFFFAOYSA-N 1 0 259.284 2.348 10 0 CEAERO CCNC(=O)C[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000725268825 567924470 /nfs/dbraw/zinc/92/44/70/567924470.db2.gz CCPXGLQLZFBAOZ-ZETCQYMHSA-N 1 0 291.214 2.079 10 0 CEAERO C[C@H]([NH3+])[C@@H]1COc2cccc(Br)c2C1 ZINC000675063771 570365911 /nfs/dbraw/zinc/36/59/11/570365911.db2.gz OJRXLRWCTUTSBJ-YUMQZZPRSA-N 1 0 256.143 2.347 10 0 CEAERO C[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2)C[C@@H]1[NH3+] ZINC000235351931 625335461 /nfs/dbraw/zinc/33/54/61/625335461.db2.gz FXHNTSXFTXIBBA-SKDRFNHKSA-N 1 0 258.287 2.484 10 0 CEAERO C[N@H+](Cc1nc2c(s1)CCC2)C1(CO)CCSCC1 ZINC000095986726 625504081 /nfs/dbraw/zinc/50/40/81/625504081.db2.gz OJFKVQVDXJPSEV-UHFFFAOYSA-N 1 0 298.477 2.322 10 0 CEAERO Cc1csc2c1ncnc2N1CC[C@](C)(C[NH3+])C1 ZINC000235962313 625579150 /nfs/dbraw/zinc/57/91/50/625579150.db2.gz DWYDFLHGDFGTQG-CYBMUJFWSA-N 1 0 262.382 2.175 10 0 CEAERO CC(C)C[C@@H](C[NH3+])c1nc(N2C[C@@H]3CCC[C@@H]3C2)no1 ZINC000757124849 622780764 /nfs/dbraw/zinc/78/07/64/622780764.db2.gz PSZZAJQCMDGNKP-XQQFMLRXSA-N 1 0 278.400 2.394 10 0 CEAERO CCOCCN(C(=O)OC(C)(C)C)c1ccc(C[NH3+])nc1 ZINC000757134181 622817647 /nfs/dbraw/zinc/81/76/47/622817647.db2.gz LAVVATDKQKRBPT-UHFFFAOYSA-N 1 0 295.383 2.318 10 0 CEAERO CCn1c(C)nn(CN(C)C[C@@H]2CCC[N@@H+]2CC)c1=S ZINC000177160738 625620670 /nfs/dbraw/zinc/62/06/70/625620670.db2.gz IQIAHWBZIBXBLR-ZDUSSCGKSA-N 1 0 297.472 2.116 10 0 CEAERO CCC[C@@H]1CC(=O)N(CN(C)C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000177158062 625620944 /nfs/dbraw/zinc/62/09/44/625620944.db2.gz YNVABNCVSQWJDC-CABCVRRESA-N 1 0 281.444 2.009 10 0 CEAERO [NH3+]CCCCCCNc1ncncc1Br ZINC000236171010 623313079 /nfs/dbraw/zinc/31/30/79/623313079.db2.gz VPWRUORKSMVLFM-UHFFFAOYSA-N 1 0 273.178 2.170 10 0 CEAERO Cc1oc(-c2cccs2)nc1CN1C[C@H](C)[C@H]([NH3+])C1 ZINC000261569934 623381838 /nfs/dbraw/zinc/38/18/38/623381838.db2.gz NWJBZRRVCCOJBJ-GXSJLCMTSA-N 1 0 277.393 2.491 10 0 CEAERO C[C@H](C(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C)c1ccccc1 ZINC000261631240 623407206 /nfs/dbraw/zinc/40/72/06/623407206.db2.gz VZQYKHAQHALAST-PWNZVWSESA-N 1 0 260.381 2.293 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)N[C@@H](C)C(=O)OC(C)(C)C ZINC000090814931 623639999 /nfs/dbraw/zinc/63/99/99/623639999.db2.gz VXYGLJDYXUNVNT-QWHCGFSZSA-N 1 0 272.433 2.283 10 0 CEAERO [NH3+]C[C@H](O)c1ccc(Br)cc1Cl ZINC000084586234 623901954 /nfs/dbraw/zinc/90/19/54/623901954.db2.gz LUOILOMMQKDPPF-QMMMGPOBSA-N 1 0 250.523 2.095 10 0 CEAERO C[C@H](O)[C@H](C)[NH2+]Cc1c(F)cccc1Br ZINC000309055297 624490263 /nfs/dbraw/zinc/49/02/63/624490263.db2.gz UCXICHKPKPUNJQ-YUMQZZPRSA-N 1 0 276.149 2.447 10 0 CEAERO CCc1cc2c(ncnc2N(C)C[C@H](C)[NH3+])s1 ZINC000111375736 624515667 /nfs/dbraw/zinc/51/56/67/624515667.db2.gz DHVBYCKDNINUGR-QMMMGPOBSA-N 1 0 250.371 2.037 10 0 CEAERO Cc1nc2ccccc2nc1N1CCC[C@H](C[NH3+])C1 ZINC000052099582 624773888 /nfs/dbraw/zinc/77/38/88/624773888.db2.gz FQXRDMZTCVGHIP-GFCCVEGCSA-N 1 0 256.353 2.113 10 0 CEAERO OCCC[C@@H]1CCC[N@@H+]1CCSC(F)(F)F ZINC000123705005 624794824 /nfs/dbraw/zinc/79/48/24/624794824.db2.gz MRSXLOZYKBCELM-VIFPVBQESA-N 1 0 257.321 2.476 10 0 CEAERO COc1csc(-c2nc(C[C@H]3CCC[NH2+]C3)no2)c1 ZINC000161966118 625018642 /nfs/dbraw/zinc/01/86/42/625018642.db2.gz SMPZSUSJNCUSSK-SECBINFHSA-N 1 0 279.365 2.349 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cnc(Cl)cc1C ZINC000236902419 625264758 /nfs/dbraw/zinc/26/47/58/625264758.db2.gz IOMQHSXPEQVYOY-WRWORJQWSA-N 1 0 255.749 2.355 10 0 CEAERO Cc1nc(N2CCCC[C@@H]2C[NH3+])ccc1Br ZINC000235983859 625809366 /nfs/dbraw/zinc/80/93/66/625809366.db2.gz RGRQVGCXGGYMOH-SNVBAGLBSA-N 1 0 284.201 2.470 10 0 CEAERO CCC[C@H]([NH3+])C(=O)Nc1cc(Cl)cc(C(=O)OC)c1 ZINC000178139456 625948591 /nfs/dbraw/zinc/94/85/91/625948591.db2.gz PSZXEUMMEIAFCD-NSHDSACASA-N 1 0 284.743 2.193 10 0 CEAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1cnc2ccccc2c1 ZINC000311280553 627632802 /nfs/dbraw/zinc/63/28/02/627632802.db2.gz ZINBPHWCULVAHN-GDBMZVCRSA-N 1 0 256.349 2.485 10 0 CEAERO C[NH2+]C1(C(=O)N[C@H](C)c2ccc(F)c(F)c2)CCC1 ZINC000311529725 627673005 /nfs/dbraw/zinc/67/30/05/627673005.db2.gz FIPGTFALOFHBNC-SECBINFHSA-N 1 0 268.307 2.284 10 0 CEAERO Cc1cccnc1-c1noc(CC[C@H]2CCC[NH2+]2)n1 ZINC000311819858 627701976 /nfs/dbraw/zinc/70/19/76/627701976.db2.gz DOHKEWMGYGDLFM-LLVKDONJSA-N 1 0 258.325 2.125 10 0 CEAERO CC(=O)[C@@H]1CCCN(CC(=O)Nc2cccc(F)c2)C1 ZINC000111690119 627827673 /nfs/dbraw/zinc/82/76/73/627827673.db2.gz CPGCKZTWRHNCKD-GFCCVEGCSA-N 1 0 278.327 2.065 10 0 CEAERO CC(C)C1CCC(C[NH2+][C@H]2CCCN(CCO)C2)CC1 ZINC000395078474 627976382 /nfs/dbraw/zinc/97/63/82/627976382.db2.gz VBTQCFUXSNLTHS-JCYILVPMSA-N 1 0 282.472 2.495 10 0 CEAERO C[C@H]1CN(C(=S)Nc2ccccc2)C[C@H]1[NH+](C)C ZINC000123124359 628354649 /nfs/dbraw/zinc/35/46/49/628354649.db2.gz HIQHTSJEFAKAKE-WCQYABFASA-N 1 0 263.410 2.265 10 0 CEAERO C[NH2+]C[C@@H]1CCCCN1c1ccc(Br)cn1 ZINC000053706545 628512773 /nfs/dbraw/zinc/51/27/73/628512773.db2.gz QUBCLOUIWHYRPD-NSHDSACASA-N 1 0 284.201 2.422 10 0 CEAERO CN(C)C[C@H]([NH2+][C@H]1COCC1(C)C)c1ccccc1 ZINC000313089812 628579363 /nfs/dbraw/zinc/57/93/63/628579363.db2.gz SNDQBVWOVPZLOE-GJZGRUSLSA-N 1 0 262.397 2.304 10 0 CEAERO CCOc1cccc(CCNC(=O)[C@H]([NH3+])[C@H](C)CC)c1 ZINC000236880944 628718079 /nfs/dbraw/zinc/71/80/79/628718079.db2.gz ZOHCJPDQGBSFJH-IUODEOHRSA-N 1 0 278.396 2.117 10 0 CEAERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C1CCN(CCO)CC1 ZINC000399245583 628787176 /nfs/dbraw/zinc/78/71/76/628787176.db2.gz JZUYOMDBPLFZGI-DJIMGWMZSA-N 1 0 282.472 2.494 10 0 CEAERO Clc1ccc(CCN[C@H]2CC[NH2+]C2)cc1Cl ZINC000259192989 628795845 /nfs/dbraw/zinc/79/58/45/628795845.db2.gz WOXYGXLSPZXULR-JTQLQIEISA-N 1 0 259.180 2.487 10 0 CEAERO COc1cc(NC(=O)[C@H]2CCC[NH2+][C@@H]2C)cc(OC)c1 ZINC000094646837 628869840 /nfs/dbraw/zinc/86/98/40/628869840.db2.gz IXIRAYITYUHVKL-YGRLFVJLSA-N 1 0 278.352 2.030 10 0 CEAERO C[C@H]1CN(c2cncc(Br)c2)CC[C@H]1[NH3+] ZINC000261536443 628935702 /nfs/dbraw/zinc/93/57/02/628935702.db2.gz RSURMPLYISPCQH-GZMMTYOYSA-N 1 0 270.174 2.018 10 0 CEAERO Fc1cc(Cl)cnc1N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261550960 628936645 /nfs/dbraw/zinc/93/66/45/628936645.db2.gz LQMXPGHPSAHISF-KWQFWETISA-N 1 0 255.724 2.062 10 0 CEAERO Cc1cc(C(=O)N2CC[C@H]([NH3+])[C@H]2C)ccc1Br ZINC000261560215 628938793 /nfs/dbraw/zinc/93/87/93/628938793.db2.gz UNPQFZAWOQSWDO-SKDRFNHKSA-N 1 0 297.196 2.319 10 0 CEAERO CCc1cc2c(ncnc2N2CC[C@@H]([NH3+])[C@H]2C)s1 ZINC000261586556 628941035 /nfs/dbraw/zinc/94/10/35/628941035.db2.gz ULHZBJZLCIYPKI-LDYMZIIASA-N 1 0 262.382 2.180 10 0 CEAERO C[C@H](Oc1cccc(Cl)c1)C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000261579131 628941715 /nfs/dbraw/zinc/94/17/15/628941715.db2.gz DPAPRYFCPWUXGZ-OUJBWJOFSA-N 1 0 282.771 2.055 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)C1C2CC3CC(C2)CC1C3 ZINC000261584983 628942125 /nfs/dbraw/zinc/94/21/25/628942125.db2.gz IBJSUUNSXSUJQC-ROZWMTPISA-N 1 0 262.397 2.007 10 0 CEAERO Cc1nccnc1NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000261589460 628942691 /nfs/dbraw/zinc/94/26/91/628942691.db2.gz KTXPMXZHWYFRHR-AWEZNQCLSA-N 1 0 254.337 2.084 10 0 CEAERO CCc1ccc(O)c(NC(=O)CC[C@H]2CCC[NH2+]2)c1 ZINC000261596363 628943692 /nfs/dbraw/zinc/94/36/92/628943692.db2.gz OOHQFANSSPKBMJ-GFCCVEGCSA-N 1 0 262.353 2.425 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1Cc1cc(Cl)c2c(c1)OCCO2 ZINC000261637006 628954201 /nfs/dbraw/zinc/95/42/01/628954201.db2.gz WONZJENXQWWUOZ-BXKDBHETSA-N 1 0 282.771 2.033 10 0 CEAERO CC[NH+](CC)CCCNC(=O)c1cncc2cccnc21 ZINC000222620240 629183881 /nfs/dbraw/zinc/18/38/81/629183881.db2.gz FRRHEAFOIZPHER-UHFFFAOYSA-N 1 0 286.379 2.092 10 0 CEAERO Cc1sc2ncnc(N3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)c2c1C ZINC000261758741 629184347 /nfs/dbraw/zinc/18/43/47/629184347.db2.gz NNDDTPKIILQTHV-QJPTWQEYSA-N 1 0 288.420 2.482 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@@H]([NH3+])C2CCOCC2)cc1F ZINC000261892676 629304776 /nfs/dbraw/zinc/30/47/76/629304776.db2.gz VSBAYANUZUKYQH-NHYWBVRUSA-N 1 0 294.370 2.065 10 0 CEAERO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCC2C[NH2+]C2)cc1 ZINC000262014842 629439671 /nfs/dbraw/zinc/43/96/71/629439671.db2.gz KUSNDHUWDORROI-HOTGVXAUSA-N 1 0 272.392 2.249 10 0 CEAERO CCc1ccc(CCNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000237168816 629835979 /nfs/dbraw/zinc/83/59/79/629835979.db2.gz ZJIZGAMECIPXCV-HUUCEWRRSA-N 1 0 260.381 2.035 10 0 CEAERO CCC[C@@H](C(=O)Nc1cnn([C@H]2CCCCO2)c1)[NH+](C)C ZINC000912565842 638729569 /nfs/dbraw/zinc/72/95/69/638729569.db2.gz MERSFEPXLOTLGW-UONOGXRCSA-N 1 0 294.399 2.251 10 0 CEAERO COC(=O)[C@@H]1C[NH2+]C[C@]12CCC[C@H](C(F)(F)F)C2 ZINC000166435575 639463382 /nfs/dbraw/zinc/46/33/82/639463382.db2.gz NOMIFGKAJPRNTJ-ATZCPNFKSA-N 1 0 265.275 2.118 10 0 CEAERO 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[NH3+]CC[C@H]1CCCCN1S(=O)(=O)/C=C\c1ccccc1 ZINC000216579431 652990424 /nfs/dbraw/zinc/99/04/24/652990424.db2.gz CSQSBSKJZJKRMF-VSKPTYQZSA-N 1 0 294.420 2.190 10 0 CEAERO [NH3+]CC[C@H]1CCCN(S(=O)(=O)/C=C\c2ccccc2)C1 ZINC000216612429 652992978 /nfs/dbraw/zinc/99/29/78/652992978.db2.gz HOBHUGPRAQVPNB-HMVFGEFZSA-N 1 0 294.420 2.048 10 0 CEAERO C[NH+](C)CC1CCN(c2ncc(N)cc2Cl)CC1 ZINC000234231470 721945601 /nfs/dbraw/zinc/94/56/01/721945601.db2.gz PWJRHLSKJRNDHA-UHFFFAOYSA-N 1 0 268.792 2.095 10 0 CEAERO C[NH2+][C@H](C)CCCS(=O)(=O)c1ccccc1C ZINC000081978065 177910164 /nfs/dbraw/zinc/91/01/64/177910164.db2.gz CNYVHNCRNDJWHF-GFCCVEGCSA-N 1 0 255.383 2.157 10 0 CEAERO O=C(Nc1ccc(-c2ccccn2)cc1)[C@H]1CCC[NH2+]1 ZINC000082258019 177930903 /nfs/dbraw/zinc/93/09/03/177930903.db2.gz ODCFITXGPZRLSO-OAHLLOKOSA-N 1 0 267.332 2.439 10 0 CEAERO [NH3+][C@@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000082456782 178034277 /nfs/dbraw/zinc/03/42/77/178034277.db2.gz QRCKZRWIRPIZFS-ONGXEEELSA-N 1 0 256.143 2.485 10 0 CEAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H]1Cc1ccco1 ZINC000095752772 185025220 /nfs/dbraw/zinc/02/52/20/185025220.db2.gz RTSRRILZGDBARZ-NSHDSACASA-N 1 0 266.341 2.031 10 0 CEAERO CCOC(=O)CSc1cccc(Cl)c1C[NH3+] ZINC000082619251 178127262 /nfs/dbraw/zinc/12/72/62/178127262.db2.gz HCGRWLNZDHSMPB-UHFFFAOYSA-N 1 0 259.758 2.454 10 0 CEAERO [NH3+]C1(C(=O)Nc2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000127705298 187327223 /nfs/dbraw/zinc/32/72/23/187327223.db2.gz YFALDIFQRWSDSH-UHFFFAOYSA-N 1 0 289.162 2.440 10 0 CEAERO COCCCSCc1[nH+]c(NN)ccc1Cl ZINC000082630264 178141079 /nfs/dbraw/zinc/14/10/79/178141079.db2.gz PNRWZHVXEPLTDP-UHFFFAOYSA-N 1 0 261.778 2.290 10 0 CEAERO Cc1nc2cc(Br)ccn2c1[C@H](C)[NH3+] ZINC000082694919 178190635 /nfs/dbraw/zinc/19/06/35/178190635.db2.gz XRAJDPQXRPVONF-LURJTMIESA-N 1 0 254.131 2.425 10 0 CEAERO CC(C)(C)OC(=O)NC[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000032625259 361747916 /nfs/dbraw/zinc/74/79/16/361747916.db2.gz OCBLBCHMNLRFCF-FZMZJTMJSA-N 1 0 254.374 2.291 10 0 CEAERO Cn1cc([C@H]([NH3+])Cc2ccc(Br)cc2)cn1 ZINC000034957670 361800362 /nfs/dbraw/zinc/80/03/62/361800362.db2.gz KCBNZBJQUOBHSV-GFCCVEGCSA-N 1 0 280.169 2.425 10 0 CEAERO COC(=O)C[C@H]([NH3+])c1cncc(-c2ccccc2)c1 ZINC000034436459 361790672 /nfs/dbraw/zinc/79/06/72/361790672.db2.gz YAHJZQDXUPXJRA-AWEZNQCLSA-N 1 0 256.305 2.312 10 0 CEAERO C[NH2+][C@H](C)C[S@](=O)c1ccc(Br)cc1 ZINC000082747031 178268943 /nfs/dbraw/zinc/26/89/43/178268943.db2.gz DMHMXVDWDCCVIN-XLKFXECMSA-N 1 0 276.199 2.165 10 0 CEAERO CCC(CC)(CO)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000224757166 282125667 /nfs/dbraw/zinc/12/56/67/282125667.db2.gz MHKYXJYSVBUSIA-XQQFMLRXSA-N 1 0 255.402 2.188 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000335499776 212179819 /nfs/dbraw/zinc/17/98/19/212179819.db2.gz JKTXTKZQPQZHJV-MFKMUULPSA-N 1 0 278.783 2.320 10 0 CEAERO C[NH2+][C@H](c1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000082998673 178333330 /nfs/dbraw/zinc/33/33/30/178333330.db2.gz HAYAOPNIWFZNSN-XCBNKYQSSA-N 1 0 279.814 2.097 10 0 CEAERO COc1cc(Cl)c([C@@H](O)[C@@H]2CCC[NH2+]2)cc1OC ZINC000083157360 178344366 /nfs/dbraw/zinc/34/43/66/178344366.db2.gz OUEOMWVGPGRWMQ-GXFFZTMASA-N 1 0 271.744 2.143 10 0 CEAERO C[C@@H](C[C@@](C)([NH3+])CO)Sc1ccc(Cl)cn1 ZINC000082905429 178329351 /nfs/dbraw/zinc/32/93/51/178329351.db2.gz LMSRCSWHHRBVJO-GZMMTYOYSA-N 1 0 260.790 2.315 10 0 CEAERO COc1ccc(C(=O)[C@H]2CCC[NH2+]2)c(Br)c1 ZINC000082954610 178330117 /nfs/dbraw/zinc/33/01/17/178330117.db2.gz HBTRXEDRORIIDK-LLVKDONJSA-N 1 0 284.153 2.392 10 0 CEAERO O[C@@H]1CC[C@@H]2C[N@H+](Cc3cncc(Cl)c3)C[C@H]2C1 ZINC000621301947 349553761 /nfs/dbraw/zinc/55/37/61/349553761.db2.gz MDBQMHCAIIYZGI-YRGRVCCFSA-N 1 0 266.772 2.328 10 0 CEAERO CC(C)[C@@H](C)NC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000125692773 365682585 /nfs/dbraw/zinc/68/25/85/365682585.db2.gz NOUYUICWSDCZJY-CHWSQXEVSA-N 1 0 255.406 2.205 10 0 CEAERO [NH3+]CCOc1cc(Cl)cc(Br)c1 ZINC000083253197 178370187 /nfs/dbraw/zinc/37/01/87/178370187.db2.gz FOKRGFPNPRNNNS-UHFFFAOYSA-N 1 0 250.523 2.440 10 0 CEAERO [NH3+]CCSCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000096751752 185111266 /nfs/dbraw/zinc/11/12/66/185111266.db2.gz DWZRJCLXIYREHA-UHFFFAOYSA-N 1 0 294.298 2.216 10 0 CEAERO CCCC1(C(=O)NC[C@@H](C)CSC)CC[NH2+]CC1 ZINC000083410968 178418887 /nfs/dbraw/zinc/41/88/87/178418887.db2.gz TUROWPYMGDHCKM-GFCCVEGCSA-N 1 0 272.458 2.272 10 0 CEAERO COCC[N@@H+](Cc1ccc(C)o1)C[C@@H](O)COC(C)(C)C ZINC000036097583 361828540 /nfs/dbraw/zinc/82/85/40/361828540.db2.gz RXPMXYZXCSDJPS-CQSZACIVSA-N 1 0 299.411 2.212 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1c1nc(-c2cncs2)no1 ZINC000096883010 185119086 /nfs/dbraw/zinc/11/90/86/185119086.db2.gz LJADSXBIGJARPB-HTQZYQBOSA-N 1 0 250.327 2.178 10 0 CEAERO Nc1cccc(OCCC[NH+]2CCSCC2)c1 ZINC000036671477 361850423 /nfs/dbraw/zinc/85/04/23/361850423.db2.gz XOJHLYJSTNJOII-UHFFFAOYSA-N 1 0 252.383 2.087 10 0 CEAERO COc1ccc(NC(C)=O)cc1[C@H](CC[NH3+])C1CC1 ZINC000096890722 185123588 /nfs/dbraw/zinc/12/35/88/185123588.db2.gz AZJICPKFOODLAY-CYBMUJFWSA-N 1 0 262.353 2.496 10 0 CEAERO COc1ccc([C@H](C)NC(=O)[C@H]2CCC[NH2+]C2)cc1F ZINC000037032568 361890264 /nfs/dbraw/zinc/89/02/64/361890264.db2.gz ZUUFALOAPSJLEB-JQWIXIFHSA-N 1 0 280.343 2.011 10 0 CEAERO [NH3+]Cc1cccc(NC(=O)NCc2ccccc2)c1 ZINC000037010083 361881366 /nfs/dbraw/zinc/88/13/66/361881366.db2.gz CEVLPHJYVAIEHX-UHFFFAOYSA-N 1 0 255.321 2.467 10 0 CEAERO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](C[NH3+])C[C@@H]2C1 ZINC000096958450 185141623 /nfs/dbraw/zinc/14/16/23/185141623.db2.gz QVCXWACNEJXOCZ-GRYCIOLGSA-N 1 0 254.374 2.228 10 0 CEAERO Cc1ccc(C[C@H](C)NC(=O)C[C@H]2CCC[NH2+]C2)s1 ZINC000080243453 344004368 /nfs/dbraw/zinc/00/43/68/344004368.db2.gz UDNGYLRZTNYTPC-WCQYABFASA-N 1 0 280.437 2.493 10 0 CEAERO CCc1ccc([C@@H](C)[NH2+]C[C@@H](O)Cn2cccn2)cc1 ZINC000038012717 361980682 /nfs/dbraw/zinc/98/06/82/361980682.db2.gz RUESTIHTZPCNDU-CZUORRHYSA-N 1 0 273.380 2.157 10 0 CEAERO C[C@H](NC(=O)C[NH2+]C1CC1)c1ccccc1Cl ZINC000040415373 361992063 /nfs/dbraw/zinc/99/20/63/361992063.db2.gz LGNRFTVTMVBQLJ-VIFPVBQESA-N 1 0 252.745 2.269 10 0 CEAERO Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@@H](CO)CC(C)C ZINC000040777762 361998554 /nfs/dbraw/zinc/99/85/54/361998554.db2.gz VYOSLLHWEBVKCI-CVEARBPZSA-N 1 0 295.423 2.040 10 0 CEAERO [NH3+][C@H]1CCCN(C(=O)c2cscc2C(F)(F)F)C1 ZINC000621619772 349645215 /nfs/dbraw/zinc/64/52/15/349645215.db2.gz DHYQSNACNXLPEB-ZETCQYMHSA-N 1 0 278.299 2.330 10 0 CEAERO C[C@H](NC(=O)C1([NH3+])CCOCC1)c1cccc(Cl)c1 ZINC000127836995 187336066 /nfs/dbraw/zinc/33/60/66/187336066.db2.gz ZMQSQHAWMNJJDZ-JTQLQIEISA-N 1 0 282.771 2.025 10 0 CEAERO Cc1c(C[NH2+]C[C@H]2OCCc3ccccc32)cnn1C ZINC000229810545 539178847 /nfs/dbraw/zinc/17/88/47/539178847.db2.gz VLVWHDRMUWXNCI-MRXNPFEDSA-N 1 0 271.364 2.132 10 0 CEAERO CCCn1cc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)cn1 ZINC000188401332 539178851 /nfs/dbraw/zinc/17/88/51/539178851.db2.gz MOYLQLKHMMJTCS-HNNXBMFYSA-N 1 0 273.384 2.154 10 0 CEAERO CC(C)(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCNC2=O)CC1 ZINC000668425387 539168825 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CC(C)(C)C(=O)N1CCC[C@H]([C@]23CC[C@H]2CC[NH2+]3)C1 ZINC000725263609 539212212 /nfs/dbraw/zinc/21/22/12/539212212.db2.gz VAVPIJJGYAUEHT-XEZPLFJOSA-N 1 0 264.413 2.413 10 0 CEAERO CCOC(=O)C1CC[NH+]([C@@H]2CC[C@H]3CC[C@H]32)CC1 ZINC000725263967 539212621 /nfs/dbraw/zinc/21/26/21/539212621.db2.gz YEEPTVTZURRHCZ-MRVWCRGKSA-N 1 0 251.370 2.450 10 0 CEAERO CC(C)[C@@H](C)C(=O)N1CCC2(CCC[C@@H]2[NH3+])CC1 ZINC000725265163 539213065 /nfs/dbraw/zinc/21/30/65/539213065.db2.gz KNCKJBRWUUQGPK-OLZOCXBDSA-N 1 0 252.402 2.399 10 0 CEAERO C[C@H](c1cnn(CC2CCC2)c1)[NH+]1CCC(CO)CC1 ZINC000725264526 539213136 /nfs/dbraw/zinc/21/31/36/539213136.db2.gz TZFMXTWTAAWNRN-CYBMUJFWSA-N 1 0 277.412 2.449 10 0 CEAERO CC(C)[C@H]1C[C@H]2CC[C@@H]([NH+]3CCOCC3)[C@@H](C1)C2=O ZINC000725268144 539214299 /nfs/dbraw/zinc/21/42/99/539214299.db2.gz BUZQEYQWPIFRQI-LXTVHRRPSA-N 1 0 265.397 2.349 10 0 CEAERO O=C(NC[C@@H]1CC[NH2+]C1)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000125921286 539225749 /nfs/dbraw/zinc/22/57/49/539225749.db2.gz KFQHDHDVPPYFOI-GMTAPVOTSA-N 1 0 278.318 2.081 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)C1 ZINC000092052909 539229518 /nfs/dbraw/zinc/22/95/18/539229518.db2.gz KDHGUQKPOLDSOY-GBJTYRQASA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)Cc1ccccc1 ZINC000305259873 539222365 /nfs/dbraw/zinc/22/23/65/539222365.db2.gz XMTDGABVECRJGV-ZBFHGGJFSA-N 1 0 264.413 2.210 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CC[C@@H]1CCOC1 ZINC000220398417 539256585 /nfs/dbraw/zinc/25/65/85/539256585.db2.gz JIIULZUPHIFAPE-BZUAXINKSA-N 1 0 266.429 2.362 10 0 CEAERO O=C(Cc1ccc(Br)cc1)[C@@H]1CCC[NH2+]1 ZINC000041387061 362032693 /nfs/dbraw/zinc/03/26/93/362032693.db2.gz MONMLUDECPHWOK-NSHDSACASA-N 1 0 268.154 2.313 10 0 CEAERO [NH3+][C@H]1CCC[S@@](=O)c2c(Br)cccc21 ZINC000040977259 362010179 /nfs/dbraw/zinc/01/01/79/362010179.db2.gz FCWPIJRWQWVDCS-XPTSAGLGSA-N 1 0 274.183 2.350 10 0 CEAERO [NH3+][C@@H]1CCC[S@](=O)c2c(Br)cccc21 ZINC000040977260 362011215 /nfs/dbraw/zinc/01/12/15/362011215.db2.gz FCWPIJRWQWVDCS-YMTOWFKASA-N 1 0 274.183 2.350 10 0 CEAERO C[C@@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H]1CCCO1 ZINC000042325821 362083119 /nfs/dbraw/zinc/08/31/19/362083119.db2.gz JDRLDJHIVVRGFF-YPMHNXCESA-N 1 0 297.443 2.162 10 0 CEAERO Cc1c(C[NH2+]CCCc2ncccc2C)cnn1C ZINC000294983313 199283363 /nfs/dbraw/zinc/28/33/63/199283363.db2.gz JZEPJQFSDKRCDT-UHFFFAOYSA-N 1 0 258.369 2.154 10 0 CEAERO C[C@H]([NH3+])[C@H](c1ccc(Br)s1)N(C)C ZINC000043259124 362140928 /nfs/dbraw/zinc/14/09/28/362140928.db2.gz QVIZICHNEQDMSN-IMTBSYHQSA-N 1 0 263.204 2.461 10 0 CEAERO Cc1ccc(C)c(OC[C@@H](O)C[NH2+][C@@H](CO)CC(C)C)c1 ZINC000040776989 343438539 /nfs/dbraw/zinc/43/85/39/343438539.db2.gz DTRJLFYUFXCZHF-CVEARBPZSA-N 1 0 295.423 2.040 10 0 CEAERO C[C@@H](NC(=O)[C@H]1CCC[NH2+]C1)c1cc(F)ccc1F ZINC000037007640 343424949 /nfs/dbraw/zinc/42/49/49/343424949.db2.gz NPCSSPJMIHDOMI-ZJUUUORDSA-N 1 0 268.307 2.142 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000037801404 343430803 /nfs/dbraw/zinc/43/08/03/343430803.db2.gz XLABUUIRCXJGGJ-OCCSQVGLSA-N 1 0 296.436 2.383 10 0 CEAERO FC(F)(F)COc1ccccc1N1CC[NH2+]CC1 ZINC000038955352 343434893 /nfs/dbraw/zinc/43/48/93/343434893.db2.gz STALANBIHAODET-UHFFFAOYSA-N 1 0 260.259 2.037 10 0 CEAERO O=C(NCC[NH2+]C[C@H](O)c1ccccc1)Nc1ccccc1 ZINC000040640918 343437714 /nfs/dbraw/zinc/43/77/14/343437714.db2.gz NDOIJOBFLZAZEY-INIZCTEOSA-N 1 0 299.374 2.131 10 0 CEAERO COCCC1(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)CCC1 ZINC000127369250 365743066 /nfs/dbraw/zinc/74/30/66/365743066.db2.gz PZPKJZNESUJLSW-KGLIPLIRSA-N 1 0 282.428 2.038 10 0 CEAERO C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CC3(C2)CCCC3)C1 ZINC000335338730 282265756 /nfs/dbraw/zinc/26/57/56/282265756.db2.gz OOKINHICOYZBOT-OLZOCXBDSA-N 1 0 265.401 2.055 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)NCCCOC1CCCCC1 ZINC000054308724 343587216 /nfs/dbraw/zinc/58/72/16/343587216.db2.gz BRUFKTTYWORVPI-AWEZNQCLSA-N 1 0 282.428 2.232 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)NCc1ccc(OC(F)F)cc1 ZINC000054308698 343587416 /nfs/dbraw/zinc/58/74/16/343587416.db2.gz RSYANVXOQCDMJY-LBPRGKRZSA-N 1 0 298.333 2.294 10 0 CEAERO CN(CC1CCCCC1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054291359 343587469 /nfs/dbraw/zinc/58/74/69/343587469.db2.gz ZJRNSZRCAYJFCI-AWEZNQCLSA-N 1 0 252.402 2.415 10 0 CEAERO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCOc1cccc(Cl)c1 ZINC000053815869 343580971 /nfs/dbraw/zinc/58/09/71/343580971.db2.gz UCVABUBSCNQEBQ-CQSZACIVSA-N 1 0 296.798 2.271 10 0 CEAERO C[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H]2O)CCN1Cc1ccccc1 ZINC000306740613 539341516 /nfs/dbraw/zinc/34/15/16/539341516.db2.gz CITCTBPBQQVLGG-KBAYOESNSA-N 1 0 288.435 2.496 10 0 CEAERO O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000126889525 187268849 /nfs/dbraw/zinc/26/88/49/187268849.db2.gz FNOBPZKOLZYPGF-FRRDWIJNSA-N 1 0 298.308 2.287 10 0 CEAERO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2O)c(F)c1 ZINC000228597690 539349616 /nfs/dbraw/zinc/34/96/16/539349616.db2.gz UEMUNKULFVTLEM-UONOGXRCSA-N 1 0 253.317 2.227 10 0 CEAERO CC[C@@H](O)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000083562671 178581561 /nfs/dbraw/zinc/58/15/61/178581561.db2.gz HJTSMQPVDQMJFD-WDEREUQCSA-N 1 0 258.159 2.262 10 0 CEAERO Cc1ccccc1CC[NH2+]C[C@@H](O)COCc1ccco1 ZINC000094183210 344235202 /nfs/dbraw/zinc/23/52/02/344235202.db2.gz COXZNYZXUAGVPG-MRXNPFEDSA-N 1 0 289.375 2.298 10 0 CEAERO C[C@@]1(O)CCN(Cc2cccs2)C[C@H]1[NH+]1CCCC1 ZINC000097942682 344246814 /nfs/dbraw/zinc/24/68/14/344246814.db2.gz JRXSPSRVZIXOGI-HUUCEWRRSA-N 1 0 280.437 2.169 10 0 CEAERO C[N@@H+](Cc1ccccc1)C[C@H](O)CN(CC(F)F)C1CC1 ZINC000106936276 344259847 /nfs/dbraw/zinc/25/98/47/344259847.db2.gz RRKCRIVJMOFNRX-HNNXBMFYSA-N 1 0 298.377 2.209 10 0 CEAERO [NH2+]=C1N[C@@H](c2ccc(NC(=O)c3ccc(F)cc3)cc2)CO1 ZINC000117022399 344288052 /nfs/dbraw/zinc/28/80/52/344288052.db2.gz YUENKGBLGZZEFC-CQSZACIVSA-N 1 0 299.305 2.464 10 0 CEAERO CC[NH2+][C@@H]1CCN(c2ccc(Br)cn2)C1 ZINC000117094805 344288376 /nfs/dbraw/zinc/28/83/76/344288376.db2.gz FHMGNUCCXOJXDG-SNVBAGLBSA-N 1 0 270.174 2.032 10 0 CEAERO C[C@@H]1C[C@@](O)(c2sccc2Br)C[N@@H+]1C ZINC000127582369 344330420 /nfs/dbraw/zinc/33/04/20/344330420.db2.gz SIQHJTDRSIQVGZ-XCBNKYQSSA-N 1 0 276.199 2.422 10 0 CEAERO [NH3+]Cc1ncc(Br)cc1Br ZINC000129815509 344346772 /nfs/dbraw/zinc/34/67/72/344346772.db2.gz LPWOKAPMJQZVMF-UHFFFAOYSA-N 1 0 265.936 2.065 10 0 CEAERO CSCC[C@@H]([NH3+])C(=O)N[C@H](C)c1cc(F)ccc1F ZINC000130852921 344355229 /nfs/dbraw/zinc/35/52/29/344355229.db2.gz OSBBTSOVHDAHGB-PRHODGIISA-N 1 0 288.363 2.222 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1OCc1ccc(Br)o1 ZINC000131335923 344357155 /nfs/dbraw/zinc/35/71/55/344357155.db2.gz CNKZFHXWCRIQAY-IUCAKERBSA-N 1 0 260.131 2.439 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1Oc1nc(Br)cs1 ZINC000131631581 344359398 /nfs/dbraw/zinc/35/93/98/344359398.db2.gz ZRWXBBQSNZOYFN-PHDIDXHHSA-N 1 0 263.160 2.164 10 0 CEAERO COc1cc([C@H](C)[NH2+][C@H](C)[C@H](C)CO)cc(OC)c1OC ZINC000131735744 344359651 /nfs/dbraw/zinc/35/96/51/344359651.db2.gz SSYPHWUOWLFSEN-UTUOFQBUSA-N 1 0 297.395 2.380 10 0 CEAERO OCC[NH2+][C@H]1CCCc2sc(Br)cc21 ZINC000132258641 344362586 /nfs/dbraw/zinc/36/25/86/344362586.db2.gz POAXXVGBSVOZTG-QMMMGPOBSA-N 1 0 276.199 2.470 10 0 CEAERO OC1CC(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000134854544 344378252 /nfs/dbraw/zinc/37/82/52/344378252.db2.gz XJABKKABMAEGTJ-IMXVTNBVSA-N 1 0 251.757 2.168 10 0 CEAERO COC(=O)c1ccc(C)c(NC(=O)C[C@@H]([NH3+])C(C)C)c1 ZINC000136328524 344384813 /nfs/dbraw/zinc/38/48/13/344384813.db2.gz FMOPDXBJDUOHCH-GFCCVEGCSA-N 1 0 278.352 2.094 10 0 CEAERO C[C@@H](Oc1ccc(F)c(Br)c1)C(N)=[NH2+] ZINC000137610887 344388020 /nfs/dbraw/zinc/38/80/20/344388020.db2.gz DUUFYFZUPDTNBE-RXMQYKEDSA-N 1 0 261.094 2.291 10 0 CEAERO O[C@@]1(c2ccc(Br)cc2)C[NH+]2CCC1CC2 ZINC000140214391 344397185 /nfs/dbraw/zinc/39/71/85/344397185.db2.gz RMLARMRXQRUGCT-CYBMUJFWSA-N 1 0 282.181 2.362 10 0 CEAERO c1ccc(-c2nnc(N3CC[N@@H+]4CCC[C@H]4C3)s2)cc1 ZINC000148269887 344413572 /nfs/dbraw/zinc/41/35/72/344413572.db2.gz NTNHXLQPFBPZBN-ZDUSSCGKSA-N 1 0 286.404 2.490 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1c1cc(N)c(N)cc1Cl ZINC000149096428 344414298 /nfs/dbraw/zinc/41/42/98/344414298.db2.gz VOQKCWMAUIFRIT-SECBINFHSA-N 1 0 268.792 2.035 10 0 CEAERO CN1c2ccccc2N(c2ccccc2)C[C@H]([NH3+])C1=O ZINC000149796350 344415373 /nfs/dbraw/zinc/41/53/73/344415373.db2.gz VCKOSXIHOXMFFN-ZDUSSCGKSA-N 1 0 267.332 2.128 10 0 CEAERO C[C@@H]1CS[C@]2(CCCN(C(=O)OC(C)(C)C)C2)[NH2+]1 ZINC000159143712 344453867 /nfs/dbraw/zinc/45/38/67/344453867.db2.gz XIQIMXQZEIXMSI-MFKMUULPSA-N 1 0 272.414 2.439 10 0 CEAERO CCC1CCC(NC(=O)N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000170832304 344491114 /nfs/dbraw/zinc/49/11/14/344491114.db2.gz LWVOCSHCUGHPLW-RUXDESIVSA-N 1 0 267.417 2.301 10 0 CEAERO CCCCS[C@H](C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170864618 344492055 /nfs/dbraw/zinc/49/20/55/344492055.db2.gz FLIKDMSABDSWOU-VXGBXAGGSA-N 1 0 258.431 2.071 10 0 CEAERO C[C@@]1(Nc2nc(Br)cs2)CC[NH2+]C1 ZINC000230750794 344573546 /nfs/dbraw/zinc/57/35/46/344573546.db2.gz DOBOZWOIVHBPSU-MRVPVSSYSA-N 1 0 262.176 2.070 10 0 CEAERO C[C@H]([NH3+])[C@H](O)c1c(Cl)cccc1Br ZINC000218531671 344536889 /nfs/dbraw/zinc/53/68/89/344536889.db2.gz LVGDBZMUPJXLPR-CDUCUWFYSA-N 1 0 264.550 2.483 10 0 CEAERO C[C@]1(c2ccc(I)cc2)C[C@H]1[NH3+] ZINC000235716203 344592312 /nfs/dbraw/zinc/59/23/12/344592312.db2.gz LBCQXQKYWYKXRD-NXEZZACHSA-N 1 0 273.117 2.280 10 0 CEAERO O[C@@H](c1cscc1Br)[C@H]1CCC[NH2+]1 ZINC000236544206 344595821 /nfs/dbraw/zinc/59/58/21/344595821.db2.gz OMDUUPMDFPQPDG-BDAKNGLRSA-N 1 0 262.172 2.296 10 0 CEAERO CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CCCNC1=O ZINC000050394202 362416323 /nfs/dbraw/zinc/41/63/23/362416323.db2.gz IRTRDBSMCKEBCY-WCQYABFASA-N 1 0 262.353 2.015 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCCNC1=O)c1ccc(Cl)s1 ZINC000050394896 362417960 /nfs/dbraw/zinc/41/79/60/362417960.db2.gz DDVMQLUJQIKORM-JGVFFNPUSA-N 1 0 258.774 2.331 10 0 CEAERO CC1CCC(N(C)C(=O)C[N@@H+]2CCC[C@H]2CCCO)CC1 ZINC000052762048 362474168 /nfs/dbraw/zinc/47/41/68/362474168.db2.gz ROGLALSDNJRMEO-GPANFISMSA-N 1 0 296.455 2.260 10 0 CEAERO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2CCCO)cc1F ZINC000052762847 362474204 /nfs/dbraw/zinc/47/42/04/362474204.db2.gz XWCYPRJGABNJQG-CQSZACIVSA-N 1 0 294.370 2.310 10 0 CEAERO O=C(C[N@H+]1CCC[C@H]1CCCO)NCCC1=CCCCC1 ZINC000052762852 362474310 /nfs/dbraw/zinc/47/43/10/362474310.db2.gz WBYQTKOQUWZRSM-INIZCTEOSA-N 1 0 294.439 2.230 10 0 CEAERO [NH3+]CCc1cc(Cl)ccc1I ZINC000238569552 344606607 /nfs/dbraw/zinc/60/66/07/344606607.db2.gz QMCBFQJGFGNYPS-UHFFFAOYSA-N 1 0 281.524 2.446 10 0 CEAERO [NH3+]Cc1ncc(Br)cc1OC(F)(F)F ZINC000238595683 344606963 /nfs/dbraw/zinc/60/69/63/344606963.db2.gz YVVQBXPSBZJZEV-UHFFFAOYSA-N 1 0 271.036 2.201 10 0 CEAERO C[C@@H]1CCC[C@H](NC(=O)C[C@@H]2CCC[NH2+]C2)[C@H]1C ZINC000251946921 344638585 /nfs/dbraw/zinc/63/85/85/344638585.db2.gz WLQCKADWDLRGBU-RFGFWPKPSA-N 1 0 252.402 2.317 10 0 CEAERO C[C@H]1C[N@H+](C)CCN1Cc1coc(Br)c1 ZINC000307142175 344720586 /nfs/dbraw/zinc/72/05/86/344720586.db2.gz DQJFPLXGXHOMOX-VIFPVBQESA-N 1 0 273.174 2.178 10 0 CEAERO C[C@H]1C[C@H](N2C[C@@H](C)[NH2+][C@@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000306571308 344714688 /nfs/dbraw/zinc/71/46/88/344714688.db2.gz FXJGVDUICZTVFH-DFGXFYAUSA-N 1 0 287.451 2.332 10 0 CEAERO O[C@H](c1ccc(Br)cc1Cl)C1C[NH2+]C1 ZINC000306637244 344715855 /nfs/dbraw/zinc/71/58/55/344715855.db2.gz FKYQBVYDSMTZJU-JTQLQIEISA-N 1 0 276.561 2.355 10 0 CEAERO C[C@H]1[N@H+](Cc2ccccc2)CC[C@]1(O)C1CCOCC1 ZINC000306669060 344716320 /nfs/dbraw/zinc/71/63/20/344716320.db2.gz KULUVTZJWOYXCJ-RHSMWYFYSA-N 1 0 275.392 2.439 10 0 CEAERO CN1CC[C@@H](C[NH2+][C@H]2CCSC2)[C@@H]1c1cccnc1 ZINC000328639482 344757453 /nfs/dbraw/zinc/75/74/53/344757453.db2.gz POEWTFPGSZKVRE-KKUMJFAQSA-N 1 0 277.437 2.170 10 0 CEAERO CCc1noc(C)c1CN(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000328604408 344755517 /nfs/dbraw/zinc/75/55/17/344755517.db2.gz JOOOLKVODQSZEH-LBPRGKRZSA-N 1 0 263.385 2.262 10 0 CEAERO [NH3+][C@H](Cc1ccc(F)cc1Br)[C@H]1CCOC1 ZINC000083716441 178722814 /nfs/dbraw/zinc/72/28/14/178722814.db2.gz SORQVXGWDMDNLP-JOYOIKCWSA-N 1 0 288.160 2.495 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]C/C=C\c2ccccc2)C1 ZINC000381567207 344824837 /nfs/dbraw/zinc/82/48/37/344824837.db2.gz MEQORXWGYGFKKN-HWYHOQROSA-N 1 0 260.381 2.010 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)NC[C@@H]1CC2CCC1CC2 ZINC000400134151 344860904 /nfs/dbraw/zinc/86/09/04/344860904.db2.gz WLDASAJTVRHNPV-SHWKFHJASA-N 1 0 264.413 2.319 10 0 CEAERO Cc1ccc(C[NH2+]CCc2csc(N)n2)s1 ZINC000083852594 178753957 /nfs/dbraw/zinc/75/39/57/178753957.db2.gz YFNMZMQAJPCNOL-UHFFFAOYSA-N 1 0 253.396 2.428 10 0 CEAERO [NH2+]=C(NCc1ccccc1)N1CCC(F)(F)CC1 ZINC000404765074 344882046 /nfs/dbraw/zinc/88/20/46/344882046.db2.gz FTYNATPZURIEBE-UHFFFAOYSA-N 1 0 253.296 2.442 10 0 CEAERO C[NH2+][C@@H](C[S@@](=O)c1ccc(F)cc1F)C1CC1 ZINC000084032025 178773437 /nfs/dbraw/zinc/77/34/37/178773437.db2.gz XRVSUHLKZNRTJS-GTNSWQLSSA-N 1 0 259.321 2.070 10 0 CEAERO CC[NH+](CC)CCOc1cnc(-c2ccco2)nc1 ZINC000584601782 344963034 /nfs/dbraw/zinc/96/30/34/344963034.db2.gz OEMVQAXIIOBWBK-UHFFFAOYSA-N 1 0 261.325 2.457 10 0 CEAERO CCOC(=O)CNc1cccc(OCC[NH+](CC)CC)c1 ZINC000584604718 344963576 /nfs/dbraw/zinc/96/35/76/344963576.db2.gz OKMUQSQBIIIPRR-UHFFFAOYSA-N 1 0 294.395 2.382 10 0 CEAERO C[NH+](C)CC[C@@]1(O)c2ccccc2Oc2cccnc21 ZINC000584615754 344965905 /nfs/dbraw/zinc/96/59/05/344965905.db2.gz RBTZHSVPFKABPO-MRXNPFEDSA-N 1 0 270.332 2.375 10 0 CEAERO C[NH2+]CCc1nnc(Cc2ccc(F)cc2)s1 ZINC000084103227 178791664 /nfs/dbraw/zinc/79/16/64/178791664.db2.gz IQEBAIBZBUBQPN-UHFFFAOYSA-N 1 0 251.330 2.030 10 0 CEAERO CCOC(=O)c1nc([C@@H]2CC[C@@H](C)[NH2+]C2)cs1 ZINC000584630031 344969528 /nfs/dbraw/zinc/96/95/28/344969528.db2.gz GALVSQIUWMTSTP-RKDXNWHRSA-N 1 0 254.355 2.175 10 0 CEAERO CC[NH2+]CCCc1nnc([C@H]2CCSC2)s1 ZINC000084118138 178796101 /nfs/dbraw/zinc/79/61/01/178796101.db2.gz FOVNMLCRUVISEL-VIFPVBQESA-N 1 0 257.428 2.301 10 0 CEAERO C[C@H]([NH3+])c1cccc(S[C@@H](C)C(=O)NC2CC2)c1 ZINC000084122337 178797308 /nfs/dbraw/zinc/79/73/08/178797308.db2.gz DPQAVKFXJLXZGA-UWVGGRQHSA-N 1 0 264.394 2.466 10 0 CEAERO CC[NH2+]Cc1nc(Br)c(Br)n1C ZINC000584881505 344995986 /nfs/dbraw/zinc/99/59/86/344995986.db2.gz JNELOYVBQOBACM-UHFFFAOYSA-N 1 0 296.994 2.055 10 0 CEAERO CC(C)(C)[C@H](Cn1ccnc1)NC(=O)CC1([NH3+])CCCC1 ZINC000084165072 178811504 /nfs/dbraw/zinc/81/15/04/178811504.db2.gz MLCCVIPELCBHSM-ZDUSSCGKSA-N 1 0 292.427 2.076 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1S(=O)(=O)c1ccccc1Cl ZINC000084267806 178835429 /nfs/dbraw/zinc/83/54/29/178835429.db2.gz GGGWAXROSONCAK-MWLCHTKSSA-N 1 0 273.785 2.241 10 0 CEAERO CCS(=O)(=O)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C[NH3+] ZINC000084269034 178835911 /nfs/dbraw/zinc/83/59/11/178835911.db2.gz YXKASVNOYJTYRX-IJLUTSLNSA-N 1 0 261.431 2.211 10 0 CEAERO C[NH2+][C@@H](C[C@H](C)COC)c1ccc2c(c1)OCCO2 ZINC000097077980 185522138 /nfs/dbraw/zinc/52/21/38/185522138.db2.gz VKKJWYLXLYDBGV-AAEUAGOBSA-N 1 0 265.353 2.391 10 0 CEAERO C[NH2+][C@@H]1CC[C@H](Cc2c(Br)c(C)nn2C)C1 ZINC000084276871 178840886 /nfs/dbraw/zinc/84/08/86/178840886.db2.gz ZIIJECOCFYGPIU-VHSXEESVSA-N 1 0 286.217 2.422 10 0 CEAERO COC(=O)[C@@](C)([NH3+])C[C@H](C)O[C@@H]1CCC[C@@H](C)C1 ZINC000084366166 178874721 /nfs/dbraw/zinc/87/47/21/178874721.db2.gz WBBQMLPTNPWQIF-CZXHOFHRSA-N 1 0 257.374 2.251 10 0 CEAERO C[NH+](C)C[C@H]1CN(C(=O)Nc2cccc(Cl)c2)CCO1 ZINC000116928810 232201167 /nfs/dbraw/zinc/20/11/67/232201167.db2.gz BJFBWCJJELBSEA-ZDUSSCGKSA-N 1 0 297.786 2.134 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc2[nH]ccc2c1 ZINC000229583236 539471978 /nfs/dbraw/zinc/47/19/78/539471978.db2.gz AWLBNIYQRRIMCF-MFKMUULPSA-N 1 0 257.337 2.038 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc2ccccc2[nH]1 ZINC000229588166 539472430 /nfs/dbraw/zinc/47/24/30/539472430.db2.gz NPCPMHKKJMYDCS-PWSUYJOCSA-N 1 0 257.337 2.038 10 0 CEAERO C[NH2+][C@@H](CCc1ccc(OC)cc1)c1cnsn1 ZINC000097197264 185558323 /nfs/dbraw/zinc/55/83/23/185558323.db2.gz CAXZUHIFOPYFIQ-LBPRGKRZSA-N 1 0 263.366 2.440 10 0 CEAERO CC[C@](O)(C[NH3+])c1cc(Br)ccc1F ZINC000084625622 178905997 /nfs/dbraw/zinc/90/59/97/178905997.db2.gz PKKGDAMFNSQYIH-JTQLQIEISA-N 1 0 262.122 2.145 10 0 CEAERO [NH3+]Cc1ncc(-c2ccc(Br)cc2)cn1 ZINC000084630147 178906108 /nfs/dbraw/zinc/90/61/08/178906108.db2.gz MXTXJTJNFGIEJK-UHFFFAOYSA-N 1 0 264.126 2.365 10 0 CEAERO CCn1nc(C)cc1[C@@H](Cc1c(Cl)c(C)nn1C)[NH2+]C ZINC000097273934 185575528 /nfs/dbraw/zinc/57/55/28/185575528.db2.gz UJLZZOKITMONDE-LLVKDONJSA-N 1 0 295.818 2.410 10 0 CEAERO CCC[NH2+][C@H](CCOCC)Cc1ncnn1CCC ZINC000097281809 185579387 /nfs/dbraw/zinc/57/93/87/185579387.db2.gz JGXOJWWNJXWRSS-CYBMUJFWSA-N 1 0 268.405 2.025 10 0 CEAERO CC(C)(C)c1nnsc1[C@@H]([NH3+])Cc1ccncc1 ZINC000097277861 185577667 /nfs/dbraw/zinc/57/76/67/185577667.db2.gz RJGSMRISSSFCHQ-JTQLQIEISA-N 1 0 262.382 2.473 10 0 CEAERO CCCOCC[C@H](Cc1ncnn1CC(C)C)[NH2+]CC ZINC000097278317 185577875 /nfs/dbraw/zinc/57/78/75/185577875.db2.gz YSRHNRYNDUCPJV-CQSZACIVSA-N 1 0 282.432 2.271 10 0 CEAERO CCn1nc(C)cc1C[C@@H]([NH3+])[C@@]1(C)CCCS1 ZINC000097281467 185578911 /nfs/dbraw/zinc/57/89/11/185578911.db2.gz SXDKTLUFFXQQJR-CHWSQXEVSA-N 1 0 253.415 2.367 10 0 CEAERO Cn1ccnc1C[C@H]([NH3+])[C@@H]1CSc2ccccc21 ZINC000097309909 185583107 /nfs/dbraw/zinc/58/31/07/185583107.db2.gz JLNOXBJFPTUJFM-NEPJUHHUSA-N 1 0 259.378 2.179 10 0 CEAERO CC[NH2+][C@H](CCOCC)[C@H]1CCOC2(CCOCC2)C1 ZINC000097311068 185583668 /nfs/dbraw/zinc/58/36/68/185583668.db2.gz NNVCSEOYARNHLT-LSDHHAIUSA-N 1 0 285.428 2.367 10 0 CEAERO CCC(CC)C[C@@H](C[C@H]1CCS(=O)(=O)C1)[NH2+]C ZINC000097384466 185596325 /nfs/dbraw/zinc/59/63/25/185596325.db2.gz PCQLHEBZGOIJBK-OLZOCXBDSA-N 1 0 261.431 2.226 10 0 CEAERO CC[NH2+][C@H](Cc1cccnc1)c1c(C)nn(C)c1C ZINC000097390768 185597100 /nfs/dbraw/zinc/59/71/00/185597100.db2.gz GZSBYBATECKCLT-CQSZACIVSA-N 1 0 258.369 2.325 10 0 CEAERO C[C@H]1CC(NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])C[C@@H](C)C1 ZINC000084981114 178938904 /nfs/dbraw/zinc/93/89/04/178938904.db2.gz MUKNCCWCPXPMBG-YJBUHQLJSA-N 1 0 252.402 2.445 10 0 CEAERO C[C@H](NC(=O)CC(C)(C)[NH3+])c1cc(F)ccc1F ZINC000084165658 539498978 /nfs/dbraw/zinc/49/89/78/539498978.db2.gz GWFVZIDRHJMICU-QMMMGPOBSA-N 1 0 256.296 2.269 10 0 CEAERO C[C@H](NC(=O)CC(C)(C)[NH3+])c1ccc(F)cc1F ZINC000084166013 539499891 /nfs/dbraw/zinc/49/98/91/539499891.db2.gz OFBQEMSFXTYIHC-QMMMGPOBSA-N 1 0 256.296 2.269 10 0 CEAERO C[NH2+][C@@H](CCc1ccncc1)c1cncc(OC)c1 ZINC000097380676 185594581 /nfs/dbraw/zinc/59/45/81/185594581.db2.gz SHQPQBFQBYHEPZ-HNNXBMFYSA-N 1 0 257.337 2.379 10 0 CEAERO CC[NH2+][C@@H](c1cncc(OC)c1)[C@H]1CCSC1 ZINC000097380832 185594638 /nfs/dbraw/zinc/59/46/38/185594638.db2.gz WGQXRSZZACLPEL-GXFFZTMASA-N 1 0 252.383 2.494 10 0 CEAERO O=S1(=O)CC[C@@H](C[NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000085126016 178952224 /nfs/dbraw/zinc/95/22/24/178952224.db2.gz CJALDNIIRDIFJH-WHXUTIOJSA-N 1 0 299.358 2.132 10 0 CEAERO COC(=O)C[C@@](C)(c1ccc(F)c(F)c1)[C@H](C)[NH3+] ZINC000097431052 185601254 /nfs/dbraw/zinc/60/12/54/185601254.db2.gz RRGILRVYSMAHGF-ISVAXAHUSA-N 1 0 257.280 2.133 10 0 CEAERO CCCC[C@H](CC)COC[C@H](O)C[NH2+]C[C@@H](C)CCO ZINC000097441059 185605236 /nfs/dbraw/zinc/60/52/36/185605236.db2.gz MGHWEZBDAHLULG-HRCADAONSA-N 1 0 289.460 2.188 10 0 CEAERO C[C@H](CO)CSc1ccc(Cl)cc1C(N)=[NH2+] ZINC000085139195 178955235 /nfs/dbraw/zinc/95/52/35/178955235.db2.gz CTJIOKRTMQITLU-SSDOTTSWSA-N 1 0 258.774 2.345 10 0 CEAERO C[C@@H](CO)CSc1cccc(Cl)c1C(N)=[NH2+] ZINC000085139234 178955714 /nfs/dbraw/zinc/95/57/14/178955714.db2.gz OVVAKOMRIAVYSS-ZETCQYMHSA-N 1 0 258.774 2.345 10 0 CEAERO CCC(CC)n1ccc(C[NH2+]C[C@H](O)C2CC2)n1 ZINC000085174512 178962818 /nfs/dbraw/zinc/96/28/18/178962818.db2.gz NNCJTBSHYLVVML-AWEZNQCLSA-N 1 0 251.374 2.105 10 0 CEAERO CCC(CC)N(CC[NH3+])Cc1ccn(C(C)C)n1 ZINC000085171219 178961473 /nfs/dbraw/zinc/96/14/73/178961473.db2.gz PRLASDOXZJUYLU-UHFFFAOYSA-N 1 0 252.406 2.413 10 0 CEAERO CCC[NH2+][C@H](CCOC)Cc1ccn(C(C)C)n1 ZINC000085169791 178961957 /nfs/dbraw/zinc/96/19/57/178961957.db2.gz ISWTYWSYAAMYSF-CYBMUJFWSA-N 1 0 253.390 2.411 10 0 CEAERO CC[C@H]1CN(c2cncc(OC(C)C)n2)[C@@H](CC)C[NH2+]1 ZINC000086466481 136512599 /nfs/dbraw/zinc/51/25/99/136512599.db2.gz OAKNLDVGPXAZPQ-STQMWFEESA-N 1 0 278.400 2.231 10 0 CEAERO CC[NH2+][C@](C)(CO)CCN(CC)c1ccc(F)cc1 ZINC000085214452 178978916 /nfs/dbraw/zinc/97/89/16/178978916.db2.gz ZZXNZNZHQCRKDW-HNNXBMFYSA-N 1 0 268.376 2.403 10 0 CEAERO CN1CCN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])c2ccccc21 ZINC000094753926 136514634 /nfs/dbraw/zinc/51/46/34/136514634.db2.gz ZLKWYKMMCNVDBX-KGLIPLIRSA-N 1 0 287.407 2.377 10 0 CEAERO CC[C@H]1CN(c2ncnc3c2CCCC3)[C@@H](CC)C[NH2+]1 ZINC000094872550 136515005 /nfs/dbraw/zinc/51/50/05/136515005.db2.gz ZDKRSCYOPUTNOP-STQMWFEESA-N 1 0 274.412 2.322 10 0 CEAERO C[NH2+][C@H](c1ccc2c(c1)CCC(=O)N2C)[C@@]1(C)CCCO1 ZINC000094788855 136515059 /nfs/dbraw/zinc/51/50/59/136515059.db2.gz GUMWHVXJTZHHQJ-IAGOWNOFSA-N 1 0 288.391 2.425 10 0 CEAERO CCC[NH2+][C@@](CO)(CN(CC)CC(F)(F)F)C1CC1 ZINC000085241587 178981443 /nfs/dbraw/zinc/98/14/43/178981443.db2.gz MNFKWHLKKFNVDE-GFCCVEGCSA-N 1 0 282.350 2.011 10 0 CEAERO CC[NH2+][C@](C)(CO)C[C@@H](C)N(CC(F)(F)F)C(C)C ZINC000085241526 178981794 /nfs/dbraw/zinc/98/17/94/178981794.db2.gz JNWDNPMXYMZHEB-NEPJUHHUSA-N 1 0 284.366 2.398 10 0 CEAERO COc1ccc(OC)c([C@H](NN)C(C)(C)[NH+]2CCCC2)c1 ZINC000097581398 185629429 /nfs/dbraw/zinc/62/94/29/185629429.db2.gz SZBPUMKEBBLGMR-HNNXBMFYSA-N 1 0 293.411 2.083 10 0 CEAERO C[NH+](C)C1([C@H](NN)[C@@H]2CCOC3(CCC3)C2)CCCCC1 ZINC000097589601 185633803 /nfs/dbraw/zinc/63/38/03/185633803.db2.gz IOVZQQFCEVAAFN-HUUCEWRRSA-N 1 0 295.471 2.432 10 0 CEAERO C[NH2+][C@](C)(CO)C[C@@H](C)Oc1cc(C)cc(C)c1 ZINC000085284775 179002537 /nfs/dbraw/zinc/00/25/37/179002537.db2.gz AFQHQOKZAVTXAJ-HIFRSBDPSA-N 1 0 251.370 2.431 10 0 CEAERO CC[NH+](CC)CC[C@@H](NN)c1ccc(F)c(F)c1F ZINC000097591642 185635047 /nfs/dbraw/zinc/63/50/47/185635047.db2.gz KQJBMDNLUCKCLL-LLVKDONJSA-N 1 0 275.318 2.340 10 0 CEAERO CC[NH2+][C@](C)(CO)CCOc1ccc(F)cc1F ZINC000085283075 179000670 /nfs/dbraw/zinc/00/06/70/179000670.db2.gz DPPZEZMEDDTTFW-ZDUSSCGKSA-N 1 0 259.296 2.094 10 0 CEAERO CC(C)(C)c1ccccc1OC[C@]([NH3+])(CO)C1CC1 ZINC000085283291 179000762 /nfs/dbraw/zinc/00/07/62/179000762.db2.gz KYCIHPKHNRNECG-MRXNPFEDSA-N 1 0 263.381 2.463 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)C[C@H](C)OCC(F)(F)F ZINC000085282803 179000870 /nfs/dbraw/zinc/00/08/70/179000870.db2.gz HGNYAOIZTFOEDJ-UWVGGRQHSA-N 1 0 257.296 2.093 10 0 CEAERO CCC[NH2+][C@@](C)(CO)COc1cccc(C)c1C ZINC000085283925 179001720 /nfs/dbraw/zinc/00/17/20/179001720.db2.gz FLOHZXFAFMLOBS-HNNXBMFYSA-N 1 0 251.370 2.433 10 0 CEAERO Cc1cccc(OC[C@](C)(CO)[NH2+]C(C)C)c1C ZINC000085283879 179001744 /nfs/dbraw/zinc/00/17/44/179001744.db2.gz IGZDFOTZYYZPNO-HNNXBMFYSA-N 1 0 251.370 2.431 10 0 CEAERO CCC[NH2+][C@@](C)(CO)COc1ccc(C)cc1C ZINC000085283494 179001746 /nfs/dbraw/zinc/00/17/46/179001746.db2.gz LYYCTBVDPWJNBC-HNNXBMFYSA-N 1 0 251.370 2.433 10 0 CEAERO C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1Cc1ccc(Br)o1 ZINC000085284366 179001990 /nfs/dbraw/zinc/00/19/90/179001990.db2.gz SNYOEERNCQSIKK-KKZNHRDASA-N 1 0 285.185 2.082 10 0 CEAERO CCC[NH2+][C@](C)(CO)COc1cc(C)cc(C)c1 ZINC000085284807 179002639 /nfs/dbraw/zinc/00/26/39/179002639.db2.gz WJLFQADJFLAMIS-OAHLLOKOSA-N 1 0 251.370 2.433 10 0 CEAERO CCc1ccc(OC[C@](C)(CO)[NH2+]C(C)C)cc1 ZINC000085284109 179002172 /nfs/dbraw/zinc/00/21/72/179002172.db2.gz FUTAPYDHHWABIK-HNNXBMFYSA-N 1 0 251.370 2.377 10 0 CEAERO Cc1cc(C)c(OC[C@@H](CO)[NH2+]C(C)C)c(C)c1 ZINC000085266671 178996691 /nfs/dbraw/zinc/99/66/91/178996691.db2.gz BPCJAFZYWDUIKM-CQSZACIVSA-N 1 0 251.370 2.350 10 0 CEAERO CCCCOCCO[C@H](C)C[C@@](C)(CO)[NH2+]C1CC1 ZINC000085267955 178997316 /nfs/dbraw/zinc/99/73/16/178997316.db2.gz ZJAJNMLBRDXGDZ-HIFRSBDPSA-N 1 0 273.417 2.101 10 0 CEAERO CCCN(c1ncccc1Br)C1C[NH2+]C1 ZINC000085271446 178998559 /nfs/dbraw/zinc/99/85/59/178998559.db2.gz UDBLELLOTANJIQ-UHFFFAOYSA-N 1 0 270.174 2.032 10 0 CEAERO OC[C@@](COc1cccc(F)c1)([NH2+]C1CC1)C1CC1 ZINC000085285520 179003228 /nfs/dbraw/zinc/00/32/28/179003228.db2.gz ULTGTHSXIAEGTD-HNNXBMFYSA-N 1 0 265.328 2.098 10 0 CEAERO CC(C)(C)c1cccc(OC[C@]([NH3+])(CO)C2CC2)c1 ZINC000085286517 179004043 /nfs/dbraw/zinc/00/40/43/179004043.db2.gz MCFCOOQYUUCOCM-MRXNPFEDSA-N 1 0 263.381 2.463 10 0 CEAERO CC[NH2+][C@H](CO)CCOc1cc(C)cc(C)c1C ZINC000085286081 179004237 /nfs/dbraw/zinc/00/42/37/179004237.db2.gz WYWJTELLWUQJFI-AWEZNQCLSA-N 1 0 251.370 2.351 10 0 CEAERO CC[NH2+][C@@](CO)(CO[C@H](C)CC)c1ccccc1 ZINC000085286977 179004857 /nfs/dbraw/zinc/00/48/57/179004857.db2.gz CZVXMMQZPREVIB-HIFRSBDPSA-N 1 0 251.370 2.299 10 0 CEAERO CC[NH2+][C@](C)(CO)CSc1nc2cc(C)ccc2[nH]1 ZINC000085288338 179005336 /nfs/dbraw/zinc/00/53/36/179005336.db2.gz WRVWTRSAPLVNCG-CQSZACIVSA-N 1 0 279.409 2.324 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)C[C@H](C)Sc1ccncn1 ZINC000085289923 179005759 /nfs/dbraw/zinc/00/57/59/179005759.db2.gz SSPZHISYTMFPJW-WCQYABFASA-N 1 0 269.414 2.096 10 0 CEAERO COc1cccc(S[C@H](C)C[C@](C)([NH3+])CO)c1 ZINC000085291087 179006539 /nfs/dbraw/zinc/00/65/39/179006539.db2.gz AQZDFAOGQWQISR-MFKMUULPSA-N 1 0 255.383 2.276 10 0 CEAERO COc1cccc(SCC[C@H](CO)[NH2+]C2CC2)c1 ZINC000085291142 179007220 /nfs/dbraw/zinc/00/72/20/179007220.db2.gz ZNNKIQDXNVIQKC-GFCCVEGCSA-N 1 0 267.394 2.290 10 0 CEAERO CC(C)[NH2+][C@@H](CO)CCSc1nc2ccccc2[nH]1 ZINC000085291750 179007350 /nfs/dbraw/zinc/00/73/50/179007350.db2.gz CWLAWTQZPVPQJO-LLVKDONJSA-N 1 0 279.409 2.404 10 0 CEAERO C[C@@H](C[C@](C)([NH3+])CO)Sc1nc2ccccc2[nH]1 ZINC000085291686 179007492 /nfs/dbraw/zinc/00/74/92/179007492.db2.gz XGXOGWFGDAJEAS-ZANVPECISA-N 1 0 265.382 2.143 10 0 CEAERO C[NH2+][C@@](C)(CO)CCCOc1cc(C)cc(C)c1 ZINC000085284797 179002976 /nfs/dbraw/zinc/00/29/76/179002976.db2.gz OQWFZQFPFJHDRM-OAHLLOKOSA-N 1 0 251.370 2.433 10 0 CEAERO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@](O)(CN)c1ccccc1 ZINC000085304279 179011486 /nfs/dbraw/zinc/01/14/86/179011486.db2.gz IKJCMQZWIZKTMS-FMKPAKJESA-N 1 0 262.397 2.096 10 0 CEAERO CN(C)c1cccc(OCCCC[C@](C)(O)C[NH3+])c1 ZINC000085305379 179012210 /nfs/dbraw/zinc/01/22/10/179012210.db2.gz CWXKCOYMYBOWOU-HNNXBMFYSA-N 1 0 266.385 2.011 10 0 CEAERO C[C@@H](C[NH3+])SCc1nc(-c2ccsc2)no1 ZINC000085307616 179012622 /nfs/dbraw/zinc/01/26/22/179012622.db2.gz WLELKDATIZWGGQ-ZETCQYMHSA-N 1 0 255.368 2.379 10 0 CEAERO CC(C)C[C@@H](C)OC[C@](O)(C[NH3+])c1ccccc1 ZINC000085306190 179012840 /nfs/dbraw/zinc/01/28/40/179012840.db2.gz UWRDCXFZUNYHGM-UKRRQHHQSA-N 1 0 251.370 2.284 10 0 CEAERO COc1ccc(S[C@H](C)C[C@@](C)(O)C[NH3+])cc1 ZINC000085308573 179013278 /nfs/dbraw/zinc/01/32/78/179013278.db2.gz VFFOBMLOCPYEMF-ZWNOBZJWSA-N 1 0 255.383 2.276 10 0 CEAERO CCCCN(CC[C@@](C)(O)C[NH3+])c1ccccc1 ZINC000085301935 179010170 /nfs/dbraw/zinc/01/01/70/179010170.db2.gz WLXIKEIFHYXSPD-OAHLLOKOSA-N 1 0 250.386 2.393 10 0 CEAERO CCCN(CCCC[C@](C)(O)C[NH3+])CC(F)(F)F ZINC000085300660 179010249 /nfs/dbraw/zinc/01/02/49/179010249.db2.gz MLBXWUOADUKKDG-NSHDSACASA-N 1 0 270.339 2.141 10 0 CEAERO CC[NH+](CC)CCCNC(=O)N[C@H]1COc2ccccc21 ZINC000060586410 362666508 /nfs/dbraw/zinc/66/65/08/362666508.db2.gz ZOEXWWLACNEUNK-AWEZNQCLSA-N 1 0 291.395 2.151 10 0 CEAERO CO[C@@H]1CCC[C@H](OC(=O)[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000085331274 179020976 /nfs/dbraw/zinc/02/09/76/179020976.db2.gz FMYRGLNOEYXYGV-XQHKEYJVSA-N 1 0 255.358 2.005 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1cc(F)cc(F)c1 ZINC000085356992 179030657 /nfs/dbraw/zinc/03/06/57/179030657.db2.gz UOYWLRXEPCSSJC-NEPJUHHUSA-N 1 0 254.280 2.421 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)NCc1ccc(Cl)cc1 ZINC000085357630 179030742 /nfs/dbraw/zinc/03/07/42/179030742.db2.gz FSVJKHSPQAILGV-RYUDHWBXSA-N 1 0 252.745 2.084 10 0 CEAERO Cc1ccc(CN(C)C(=O)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000085357658 179030896 /nfs/dbraw/zinc/03/08/96/179030896.db2.gz UTROJMSDGCBBNE-LSDHHAIUSA-N 1 0 260.381 2.471 10 0 CEAERO CN(C(=O)[C@@H]1CCC[C@@H]1[NH3+])[C@H]1CCc2ccccc21 ZINC000085358862 179031178 /nfs/dbraw/zinc/03/11/78/179031178.db2.gz WZHXKAZUWGNVSI-ILXRZTDVSA-N 1 0 258.365 2.260 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1c(F)cccc1F ZINC000085357981 179031358 /nfs/dbraw/zinc/03/13/58/179031358.db2.gz AJUJAHLFZMCUQV-LDYMZIIASA-N 1 0 254.280 2.421 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)N(Cc1ccccc1)C1CC1 ZINC000085358762 179031499 /nfs/dbraw/zinc/03/14/99/179031499.db2.gz BTTCQJFFXYMHSQ-LSDHHAIUSA-N 1 0 258.365 2.305 10 0 CEAERO CC(=O)Nc1ccc(F)c(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000085359848 179032506 /nfs/dbraw/zinc/03/25/06/179032506.db2.gz VWXKQZVRFTXPNH-AAEUAGOBSA-N 1 0 293.342 2.240 10 0 CEAERO O=C(Nc1cc(F)c(F)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000061119081 362677771 /nfs/dbraw/zinc/67/77/71/362677771.db2.gz AZSSOPZUQKDQJL-ZETCQYMHSA-N 1 0 258.243 2.042 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)N[C@H](c1ccccc1)C1CC1 ZINC000085363280 179034705 /nfs/dbraw/zinc/03/47/05/179034705.db2.gz LZSUAQHTJZYIMP-SOUVJXGZSA-N 1 0 258.365 2.381 10 0 CEAERO CCC(=O)Nc1cccc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])c1C ZINC000085364569 179035480 /nfs/dbraw/zinc/03/54/80/179035480.db2.gz VGYMAEOZBWAXPM-RYUDHWBXSA-N 1 0 289.379 2.409 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)N1CCC[C@@H]1Cc1ccccc1 ZINC000085367695 179037573 /nfs/dbraw/zinc/03/75/73/179037573.db2.gz ZMYYLCBHNLUELV-OAGGEKHMSA-N 1 0 272.392 2.348 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000085368094 179037910 /nfs/dbraw/zinc/03/79/10/179037910.db2.gz CUFZAZJYUOODEW-CABCVRRESA-N 1 0 276.355 2.444 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)N(Cc1cccc(O)c1)C1CC1 ZINC000085369296 179039313 /nfs/dbraw/zinc/03/93/13/179039313.db2.gz FEZWEMUCBCMRSB-CABCVRRESA-N 1 0 274.364 2.011 10 0 CEAERO C[C@@H](NC(=O)[C@H]1CCC[C@@H]1[NH3+])c1ccc(F)cc1 ZINC000085370719 179040824 /nfs/dbraw/zinc/04/08/24/179040824.db2.gz BVGXPJHKMJJQHB-ICCXJUOJSA-N 1 0 250.317 2.130 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)NCc1ccccc1OC(F)F ZINC000085371968 179041868 /nfs/dbraw/zinc/04/18/68/179041868.db2.gz FSXXKHHVBRWFIM-MNOVXSKESA-N 1 0 284.306 2.032 10 0 CEAERO CC(C)c1csc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])n1 ZINC000085372594 179042139 /nfs/dbraw/zinc/04/21/39/179042139.db2.gz ZDXYIRPLNFUDHE-IUCAKERBSA-N 1 0 253.371 2.332 10 0 CEAERO CC[C@@H](NC(=O)[C@H]1CCC[C@@H]1[NH3+])c1cccs1 ZINC000085372659 179042302 /nfs/dbraw/zinc/04/23/02/179042302.db2.gz BZEWINNCAORIPY-GARJFASQSA-N 1 0 252.383 2.443 10 0 CEAERO Cc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2[NH3+])s1 ZINC000085373706 179042627 /nfs/dbraw/zinc/04/26/27/179042627.db2.gz PPDXFDTYCPWAND-VXGBXAGGSA-N 1 0 252.383 2.190 10 0 CEAERO CC[C@H](NC(=O)[C@@H]1CCCC[C@@H]1[NH3+])c1nccs1 ZINC000085376270 179044503 /nfs/dbraw/zinc/04/45/03/179044503.db2.gz BKDWGPZOFJWKMZ-VWYCJHECSA-N 1 0 267.398 2.228 10 0 CEAERO C[C@H]1COCCN1c1cccc(Cl)c1CC[NH3+] ZINC000111479607 136532303 /nfs/dbraw/zinc/53/23/03/136532303.db2.gz LSKMWTMNTNTGPA-JTQLQIEISA-N 1 0 254.761 2.066 10 0 CEAERO CCNC(=O)C[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000085433403 179060721 /nfs/dbraw/zinc/06/07/21/179060721.db2.gz XUYVYMIGBNWLNN-VIFPVBQESA-N 1 0 263.366 2.083 10 0 CEAERO CC[C@H](C)n1ccc(CN2CC[NH2+]C(C)(C)C2)n1 ZINC000085435124 179062100 /nfs/dbraw/zinc/06/21/00/179062100.db2.gz NCZRLNYWYPWXNQ-LBPRGKRZSA-N 1 0 250.390 2.038 10 0 CEAERO CCc1ccc([C@H](C)[NH2+]CC(=O)NC2CCOCC2)cc1 ZINC000062768601 362722944 /nfs/dbraw/zinc/72/29/44/362722944.db2.gz KZFYICIQCDDQJP-ZDUSSCGKSA-N 1 0 290.407 2.195 10 0 CEAERO CC(C)(C)[C@H]1C[NH2+]CCN1CCCOCC(F)(F)F ZINC000085451687 179065827 /nfs/dbraw/zinc/06/58/27/179065827.db2.gz SPQWGDHXJPCDEN-LLVKDONJSA-N 1 0 282.350 2.275 10 0 CEAERO CCC[C@@H]1C[NH2+][C@H](C)CN1Cc1ccn(C(C)C)n1 ZINC000085453522 179067165 /nfs/dbraw/zinc/06/71/65/179067165.db2.gz NDNXREMTWKZRSQ-UKRRQHHQSA-N 1 0 264.417 2.426 10 0 CEAERO CC[C@]1(C)C[NH2+][C@@H](C)CN1Cc1cccc(OC)n1 ZINC000085454172 179067210 /nfs/dbraw/zinc/06/72/10/179067210.db2.gz AZPONGXKHYEKKB-SWLSCSKDSA-N 1 0 263.385 2.053 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C)CN1Cc1ccn(C(C)C)n1 ZINC000085453315 179067374 /nfs/dbraw/zinc/06/73/74/179067374.db2.gz VEOOEILYNYDTJJ-JSGCOSHPSA-N 1 0 250.390 2.036 10 0 CEAERO C[C@H]1CN(C[C@@H]2CCCCO2)[C@H](C(C)(C)C)C[NH2+]1 ZINC000085454767 179067972 /nfs/dbraw/zinc/06/79/72/179067972.db2.gz BXNJHSMTIRSOLP-IHRRRGAJSA-N 1 0 254.418 2.264 10 0 CEAERO CC(C)S(=O)(=O)c1ccc(CCCC[NH3+])cc1 ZINC000098130218 185691021 /nfs/dbraw/zinc/69/10/21/185691021.db2.gz OVWIGBTYSDYNON-UHFFFAOYSA-N 1 0 255.383 2.150 10 0 CEAERO CC[C@@H]1CN([C@@H]2CCOC2)[C@H](c2ccccc2)C[NH2+]1 ZINC000085473885 179077799 /nfs/dbraw/zinc/07/77/99/179077799.db2.gz HKMYZWQNENQCNC-OAGGEKHMSA-N 1 0 260.381 2.200 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1[C@@H]1CCOC1 ZINC000085475742 179078654 /nfs/dbraw/zinc/07/86/54/179078654.db2.gz VFBVEVNLZYRNSM-MGPQQGTHSA-N 1 0 254.418 2.264 10 0 CEAERO CC[C@H](C)[C@@H]1CN[C@H](C(C)(C)C)C[N@@H+]1CCOC ZINC000085476080 179079499 /nfs/dbraw/zinc/07/94/99/179079499.db2.gz WLXJFUQLRZSZAR-IHRRRGAJSA-N 1 0 256.434 2.367 10 0 CEAERO COCCN1C[C@@H](C(C)(C)C)[NH2+]C[C@@H]1C(C)(C)C ZINC000085486101 179080201 /nfs/dbraw/zinc/08/02/01/179080201.db2.gz IGGRPEORPOAHCZ-QWHCGFSZSA-N 1 0 256.434 2.367 10 0 CEAERO CC[C@]1(C)C[NH2+][C@H](C(C)(C)C)CN1[C@@H]1CCOC1 ZINC000085486403 179080538 /nfs/dbraw/zinc/08/05/38/179080538.db2.gz SKWFYPUNRUKYHS-VNHYZAJKSA-N 1 0 254.418 2.264 10 0 CEAERO COCC[N@@H+]1C[C@H](C(C)(C)C)NC[C@@]1(C)C1CC1 ZINC000085486742 179081466 /nfs/dbraw/zinc/08/14/66/179081466.db2.gz SFQLZPIPFNNVRJ-HIFRSBDPSA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@@H](C)[C@H]1CNC(C)(C)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085470329 179075381 /nfs/dbraw/zinc/07/53/81/179075381.db2.gz MTRMFCQVGKNLBB-HZSPNIEDSA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1CC(F)(F)F ZINC000085510736 179085719 /nfs/dbraw/zinc/08/57/19/179085719.db2.gz MXGDQRRJXADABU-MNOVXSKESA-N 1 0 250.308 2.401 10 0 CEAERO COCCC[N@@H+]1C[C@@](C)(C2CC2)NC[C@@H]1C(C)C ZINC000085512054 179086259 /nfs/dbraw/zinc/08/62/59/179086259.db2.gz UDXPWEDVCHOCKW-CABCVRRESA-N 1 0 254.418 2.121 10 0 CEAERO C[C@]1(C2CC2)CN(Cc2ncccn2)C2(CCCC2)C[NH2+]1 ZINC000085515765 179087658 /nfs/dbraw/zinc/08/76/58/179087658.db2.gz TVPGFCLZNKAYPE-MRXNPFEDSA-N 1 0 286.423 2.363 10 0 CEAERO CCn1cc(CN2C[C@@](C)(CC)[NH2+]CC2(C)C)cn1 ZINC000085496451 179082926 /nfs/dbraw/zinc/08/29/26/179082926.db2.gz XPPUILVYXALBSH-OAHLLOKOSA-N 1 0 264.417 2.256 10 0 CEAERO CCC[C@@H]1CNC2(CCCC2)C[N@@H+]1CCOCC ZINC000085497887 179083313 /nfs/dbraw/zinc/08/33/13/179083313.db2.gz ODOZYDAPDRKCHO-CQSZACIVSA-N 1 0 254.418 2.410 10 0 CEAERO CC[C@]1(C)CNC2(CCCC2)C[N@@H+]1CCCOC ZINC000085498594 179083481 /nfs/dbraw/zinc/08/34/81/179083481.db2.gz OXQJILOEKYOWCF-CQSZACIVSA-N 1 0 254.418 2.410 10 0 CEAERO C[C@H]1C[NH2+]C2(CCCCC2)CN1C[C@@H]1CCCO1 ZINC000085498861 179083504 /nfs/dbraw/zinc/08/35/04/179083504.db2.gz WPSVYFOORHGBPJ-KBPBESRZSA-N 1 0 252.402 2.162 10 0 CEAERO CCC[C@H]1CNC2(CCCC2)C[N@@H+]1CCOCC ZINC000085497889 179083539 /nfs/dbraw/zinc/08/35/39/179083539.db2.gz ODOZYDAPDRKCHO-AWEZNQCLSA-N 1 0 254.418 2.410 10 0 CEAERO CC(=O)c1ccc(NC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000062984089 362737957 /nfs/dbraw/zinc/73/79/57/362737957.db2.gz YMYKFQHJSRYKID-AWEZNQCLSA-N 1 0 275.352 2.057 10 0 CEAERO CC[C@@H]1CN[C@@H](c2ccccc2)C[N@@H+]1CCn1cccn1 ZINC000085505278 179084370 /nfs/dbraw/zinc/08/43/70/179084370.db2.gz YOZYBOOTOXFNKO-IAGOWNOFSA-N 1 0 284.407 2.308 10 0 CEAERO CCC[C@H]1C[NH2+][C@@H](C2CC2)CN1Cc1ccncc1 ZINC000085523860 179088912 /nfs/dbraw/zinc/08/89/12/179088912.db2.gz YMTVCXAIZIZRGJ-JKSUJKDBSA-N 1 0 259.397 2.434 10 0 CEAERO CC(C)C[C@H]1C[NH2+][C@H](C2CC2)CN1Cc1ncccn1 ZINC000085525726 179089175 /nfs/dbraw/zinc/08/91/75/179089175.db2.gz RYNQQJWFIHEMRQ-GJZGRUSLSA-N 1 0 274.412 2.075 10 0 CEAERO CCOCCN1C[C@H](C2CC2)[NH2+]C[C@@H]1c1ccccc1 ZINC000085527118 179089378 /nfs/dbraw/zinc/08/93/78/179089378.db2.gz BUKWUFKTDBJVDT-IAGOWNOFSA-N 1 0 274.408 2.448 10 0 CEAERO CC(C)C[C@H]1CN[C@@H](C2CC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085525999 179089581 /nfs/dbraw/zinc/08/95/81/179089581.db2.gz HWENSUTYUPZXRA-CWRNSKLLSA-N 1 0 266.429 2.121 10 0 CEAERO CC[NH2+][C@](C)(C[C@@H](C)Oc1cc(C)ccc1F)C(N)=O ZINC000085560542 179094298 /nfs/dbraw/zinc/09/42/98/179094298.db2.gz PVULUMOJMYFWJD-IAQYHMDHSA-N 1 0 282.359 2.145 10 0 CEAERO CCCc1nc2c(n1[C@@H](C)[C@@H]1CCCO1)CC[NH2+]C2 ZINC000085570140 179096249 /nfs/dbraw/zinc/09/62/49/179096249.db2.gz ILVBRTXTKNZSOR-FZMZJTMJSA-N 1 0 263.385 2.221 10 0 CEAERO CC(C)Cc1nc2c(n1[C@H]1CCCC[C@@H]1O)CC[NH2+]C2 ZINC000085571259 179096968 /nfs/dbraw/zinc/09/69/68/179096968.db2.gz MQBIJCKLDNBKMC-GJZGRUSLSA-N 1 0 277.412 2.203 10 0 CEAERO CC(C)Cc1nc2c(n1[C@@H]1CCCC[C@H]1O)CC[NH2+]C2 ZINC000085571261 179097225 /nfs/dbraw/zinc/09/72/25/179097225.db2.gz MQBIJCKLDNBKMC-HUUCEWRRSA-N 1 0 277.412 2.203 10 0 CEAERO C[C@@H]1CC[NH2+][C@](C)(C2CC2)CN1Cc1ccncc1 ZINC000085623932 179106967 /nfs/dbraw/zinc/10/69/67/179106967.db2.gz KMSHHMCYDVKXNY-CJNGLKHVSA-N 1 0 259.397 2.434 10 0 CEAERO C[C@H](Cn1ccnc1)n1c2c(nc1C(F)(F)F)C[NH2+]CC2 ZINC000085573573 179099612 /nfs/dbraw/zinc/09/96/12/179099612.db2.gz LTHXSLULMPUEQM-SECBINFHSA-N 1 0 299.300 2.005 10 0 CEAERO COCCn1c2c(nc1C1CCCCC1)C[NH2+]CC2 ZINC000085606111 179100487 /nfs/dbraw/zinc/10/04/87/179100487.db2.gz HDEMCTWWNMERJF-UHFFFAOYSA-N 1 0 263.385 2.223 10 0 CEAERO C[C@@H]([NH3+])CCNS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000063171227 362754484 /nfs/dbraw/zinc/75/44/84/362754484.db2.gz LWIWRKMNAMNRAQ-SSDOTTSWSA-N 1 0 297.207 2.009 10 0 CEAERO COc1cccc(CN2CCC[NH2+][C@H](C3CC3)C2)c1 ZINC000085616589 179103646 /nfs/dbraw/zinc/10/36/46/179103646.db2.gz ZLPFPASUBJSYKU-INIZCTEOSA-N 1 0 260.381 2.269 10 0 CEAERO CC[C@@]1(C)CN(Cc2cccc(OC)n2)CCC[NH2+]1 ZINC000085616980 179104614 /nfs/dbraw/zinc/10/46/14/179104614.db2.gz QFDBUTUIKYBHBE-HNNXBMFYSA-N 1 0 263.385 2.054 10 0 CEAERO Cc1cc(C[NH2+][C@H]2[C@@H]3CCCO[C@@H]3C2(C)C)on1 ZINC000085675878 179112709 /nfs/dbraw/zinc/11/27/09/179112709.db2.gz XGQBBUNTDLPQQU-AVGNSLFASA-N 1 0 250.342 2.276 10 0 CEAERO CCO[C@H]1C[C@H]([NH2+]C[C@@H](C)N(C)C)C12CCCC2 ZINC000085680297 179113468 /nfs/dbraw/zinc/11/34/68/179113468.db2.gz HPMQFTIFDHVQTM-RDBSUJKOSA-N 1 0 254.418 2.264 10 0 CEAERO CC1(C)[C@H]([NH2+][C@@H]2CCC[C@@H]2n2ccnc2)[C@@H]2CCO[C@@H]21 ZINC000085634163 179108759 /nfs/dbraw/zinc/10/87/59/179108759.db2.gz ZIXHLRSEHVUNGN-ZQNQSHIBSA-N 1 0 275.396 2.380 10 0 CEAERO COC(=O)CC[NH2+]Cc1ccc(Br)c(C)c1 ZINC000085706700 179121584 /nfs/dbraw/zinc/12/15/84/179121584.db2.gz UNAVPJPXHIIUCC-UHFFFAOYSA-N 1 0 286.169 2.410 10 0 CEAERO C[NH2+][C@@H](C)C1CCN(c2cnc3ccccc3n2)CC1 ZINC000111717090 136564188 /nfs/dbraw/zinc/56/41/88/136564188.db2.gz FSMXYBXSQJKZNA-LBPRGKRZSA-N 1 0 270.380 2.454 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccnc(C2CC2)n1 ZINC000174924005 136565900 /nfs/dbraw/zinc/56/59/00/136565900.db2.gz KZNFTHFHGPMYTO-UONOGXRCSA-N 1 0 272.396 2.417 10 0 CEAERO CC[C@](C)([C@@H](Cc1ccccc1)[NH2+]C)N1CCOCC1 ZINC000085750140 179142474 /nfs/dbraw/zinc/14/24/74/179142474.db2.gz IIEHEEIFTNBTIA-IAGOWNOFSA-N 1 0 276.424 2.318 10 0 CEAERO CCCn1cc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cn1 ZINC000129357564 365851145 /nfs/dbraw/zinc/85/11/45/365851145.db2.gz ZXWAHYKKLNFTMY-CVEARBPZSA-N 1 0 277.412 2.420 10 0 CEAERO C[NH2+][C@@H](Cc1cccc(Br)c1)CN(C)C ZINC000085798839 179173022 /nfs/dbraw/zinc/17/30/22/179173022.db2.gz LMZVKMWTYDLNFI-LBPRGKRZSA-N 1 0 271.202 2.141 10 0 CEAERO [NH3+]Cc1ccccc1NC(=O)[C@H]1OCCc2ccccc21 ZINC000085810127 179177658 /nfs/dbraw/zinc/17/76/58/179177658.db2.gz JUOOAIKJYMSLPF-INIZCTEOSA-N 1 0 282.343 2.398 10 0 CEAERO [NH3+][C@@]1(c2nc3ccccc3n2CC(F)(F)F)CCOC1 ZINC000085849980 179188050 /nfs/dbraw/zinc/18/80/50/179188050.db2.gz LGYKWAYHHXQDHO-LBPRGKRZSA-N 1 0 285.269 2.173 10 0 CEAERO COc1ccc(Br)cc1[C@@H](O)[C@@H](C)C[NH3+] ZINC000085902359 179195912 /nfs/dbraw/zinc/19/59/12/179195912.db2.gz NNMJHNGJLHLFSH-CPCISQLKSA-N 1 0 274.158 2.086 10 0 CEAERO [NH3+]CC[C@]1(O)CCc2cc(Br)ccc2C1 ZINC000085902297 179195983 /nfs/dbraw/zinc/19/59/83/179195983.db2.gz JOLXCLXAMISHGX-GFCCVEGCSA-N 1 0 270.170 2.018 10 0 CEAERO [NH3+]CC1([C@H](O)c2ccc(Br)o2)CCC1 ZINC000085902617 179196129 /nfs/dbraw/zinc/19/61/29/179196129.db2.gz ZQAFYNAYYRWMAP-SECBINFHSA-N 1 0 260.131 2.205 10 0 CEAERO CC[C@@](C)(C[NH3+])[C@H](O)c1ccc(Br)o1 ZINC000085902574 179196196 /nfs/dbraw/zinc/19/61/96/179196196.db2.gz CRAQNBSHFZQZSO-ZJUUUORDSA-N 1 0 262.147 2.451 10 0 CEAERO CC(C)(C[NH3+])[C@@H](O)c1ccc(Br)cc1 ZINC000085902651 179196453 /nfs/dbraw/zinc/19/64/53/179196453.db2.gz GZWRBJWNNKDQFT-JTQLQIEISA-N 1 0 258.159 2.467 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1CNC(=O)c1ccccc1F ZINC000085965013 179205414 /nfs/dbraw/zinc/20/54/14/179205414.db2.gz FQHMFZOPECITIO-MFKMUULPSA-N 1 0 250.317 2.073 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1CNC(=O)c1cccc2ncccc21 ZINC000085966446 179205902 /nfs/dbraw/zinc/20/59/02/179205902.db2.gz ISDXHALSOZCSHJ-SWLSCSKDSA-N 1 0 283.375 2.482 10 0 CEAERO COc1ccc(NC(=O)NC[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000085970411 179206545 /nfs/dbraw/zinc/20/65/45/179206545.db2.gz IQCZTFVNLZYKQV-FZMZJTMJSA-N 1 0 277.368 2.334 10 0 CEAERO CCS(=O)(=O)c1ccc(NC[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000085973800 179207443 /nfs/dbraw/zinc/20/74/43/179207443.db2.gz NDFJDNRWVUEMQB-DOMZBBRYSA-N 1 0 296.436 2.410 10 0 CEAERO CC[NH2+][C@H](CCO)CSc1ccc(F)c(F)c1 ZINC000085927832 179202861 /nfs/dbraw/zinc/20/28/61/179202861.db2.gz XVQNWTPHDWPEIA-SECBINFHSA-N 1 0 261.337 2.417 10 0 CEAERO C[C@H]1[C@@H]([NH3+])CC[C@@H]1S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000086040982 179222311 /nfs/dbraw/zinc/22/23/11/179222311.db2.gz GCJNWQYRMLPABG-LKTVYLICSA-N 1 0 279.405 2.075 10 0 CEAERO C([C@@H]1CCCOC1)[N@@H+]1CCN[C@@H](C2CCCCC2)C1 ZINC000086146254 179238597 /nfs/dbraw/zinc/23/85/97/179238597.db2.gz UTCXJKTVXYBLSO-GOEBONIOSA-N 1 0 266.429 2.267 10 0 CEAERO CCOCCCN1CC[NH2+][C@@H](C2CCCCC2)C1 ZINC000086125635 179236001 /nfs/dbraw/zinc/23/60/01/179236001.db2.gz LHCOVLWCOOGNCN-OAHLLOKOSA-N 1 0 254.418 2.267 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(Cc2csc(C)n2)CC[NH2+]1 ZINC000086144226 179237464 /nfs/dbraw/zinc/23/74/64/179237464.db2.gz CNLRGXKLASLLKX-MFKMUULPSA-N 1 0 253.415 2.271 10 0 CEAERO CC[C@H](C)[C@@H]1CN(Cc2csc(C)n2)CC[NH2+]1 ZINC000086144227 179237550 /nfs/dbraw/zinc/23/75/50/179237550.db2.gz CNLRGXKLASLLKX-GWCFXTLKSA-N 1 0 253.415 2.271 10 0 CEAERO CC[C@@H](C)[C@H]1CN(Cc2nc(C)cs2)CC[NH2+]1 ZINC000086144299 179237859 /nfs/dbraw/zinc/23/78/59/179237859.db2.gz BSSMUWQJXFDVMK-ZYHUDNBSSA-N 1 0 253.415 2.271 10 0 CEAERO C[C@@H]1CC[C@H](n2nnnc2C[NH2+]C(C)(C)C)[C@@H]1C ZINC000086082224 179227955 /nfs/dbraw/zinc/22/79/55/179227955.db2.gz AUUBHHHEBKAZGU-MXWKQRLJSA-N 1 0 251.378 2.168 10 0 CEAERO CC[C@@H]1CC[C@@H](NC(=O)CC2CC[NH2+]CC2)[C@@H]1C ZINC000086094152 179228761 /nfs/dbraw/zinc/22/87/61/179228761.db2.gz FVROSXNYCAYMFC-MRVWCRGKSA-N 1 0 252.402 2.317 10 0 CEAERO CC[C@@H]1CC[C@@H](NC(=O)[C@H]([NH3+])Cc2ccccc2)[C@@H]1C ZINC000086094022 179228894 /nfs/dbraw/zinc/22/88/94/179228894.db2.gz OCXSQSGHZWJVAH-DTZQCDIJSA-N 1 0 274.408 2.497 10 0 CEAERO C[C@H](C(N)=S)[N@H+](C)CCSc1ccccc1 ZINC000086099460 179229369 /nfs/dbraw/zinc/22/93/69/179229369.db2.gz IRHVFWSMDKDKIZ-SNVBAGLBSA-N 1 0 254.424 2.385 10 0 CEAERO CO[C@H]1CCC[C@H]1[N@@H+]1CCN[C@](C)(c2ccccc2)C1 ZINC000086146802 179239938 /nfs/dbraw/zinc/23/99/38/179239938.db2.gz RAXORBZZYUDPNB-IKGGRYGDSA-N 1 0 274.408 2.375 10 0 CEAERO CC[C@H](C)[C@H]1CN(CCOC2CCCC2)CC[NH2+]1 ZINC000086149496 179240672 /nfs/dbraw/zinc/24/06/72/179240672.db2.gz COTDFFAMIAKGPB-DZGCQCFKSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C(C)C)CN1[C@@H](C)[C@@H]1CCCO1 ZINC000086154101 179241141 /nfs/dbraw/zinc/24/11/41/179241141.db2.gz XECWMGBZIWPRDG-XQLPTFJDSA-N 1 0 254.418 2.262 10 0 CEAERO Clc1ccc2snc(N3CC[NH2+]CC3)c2c1 ZINC000065739371 362845380 /nfs/dbraw/zinc/84/53/80/362845380.db2.gz JKDFFXCLXIRDAK-UHFFFAOYSA-N 1 0 253.758 2.359 10 0 in-vitro CEAERO CC[C@H](C)[C@H]1CN(c2cnn(CCOC)c2)[C@@H](CC)C[NH2+]1 ZINC000086173152 179244334 /nfs/dbraw/zinc/24/43/34/179244334.db2.gz GMARBGZIINFKSB-OFQRWUPVSA-N 1 0 294.443 2.132 10 0 CEAERO C[C@@H]1CN[C@@H](Cc2ccccc2)C[N@@H+]1C[C@@H]1CCCOC1 ZINC000086174001 179244876 /nfs/dbraw/zinc/24/48/76/179244876.db2.gz TZMAPDSSSPHANL-NJAFHUGGSA-N 1 0 288.435 2.318 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1CCc1nccs1 ZINC000086175406 179245877 /nfs/dbraw/zinc/24/58/77/179245877.db2.gz UARHDDNRDYZDCA-CHWSQXEVSA-N 1 0 267.442 2.394 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C)CN1CCc1nc(C)cs1 ZINC000086175392 179245991 /nfs/dbraw/zinc/24/59/91/179245991.db2.gz UDYFUCDYHQUEIQ-CMPLNLGQSA-N 1 0 253.415 2.066 10 0 CEAERO CC[C@@H]1CN([C@@H](C)COC)[C@H](c2ccccc2)C[NH2+]1 ZINC000086180057 179246217 /nfs/dbraw/zinc/24/62/17/179246217.db2.gz SGEXSGYYQHXGDN-IMJJTQAJSA-N 1 0 262.397 2.446 10 0 CEAERO CCC[C@@H](COC)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000086177932 179246535 /nfs/dbraw/zinc/24/65/35/179246535.db2.gz LPAPULODQVUABS-JKSUJKDBSA-N 1 0 262.397 2.448 10 0 CEAERO COCC[C@H](C)[N@@H+]1C[C@H](C(C)C)NC[C@@H]1C(C)C ZINC000086176607 179246697 /nfs/dbraw/zinc/24/66/97/179246697.db2.gz FPRZNUPDHKSLDA-RRFJBIMHSA-N 1 0 256.434 2.366 10 0 CEAERO CO[C@@H]1CCC[C@H]1N1CC[NH2+][C@H](C2CCCCC2)C1 ZINC000086146829 179239585 /nfs/dbraw/zinc/23/95/85/179239585.db2.gz NPMVMBPKXFRUSC-ARFHVFGLSA-N 1 0 266.429 2.408 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1c1cnn(C)c1 ZINC000086218282 179249751 /nfs/dbraw/zinc/24/97/51/179249751.db2.gz IYFOLNZFDPULIT-LSDHHAIUSA-N 1 0 262.401 2.023 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@@H](C2CC2)CN1CCc1ccccn1 ZINC000086221446 179250882 /nfs/dbraw/zinc/25/08/82/179250882.db2.gz OMYPSNDCJWLQML-SJORKVTESA-N 1 0 273.424 2.333 10 0 CEAERO C[C@H]1CN[C@H](C2CCCCC2)C[N@@H+]1C1CCOCC1 ZINC000086218797 179251233 /nfs/dbraw/zinc/25/12/33/179251233.db2.gz TUPNDUKOIQQILN-BBRMVZONSA-N 1 0 266.429 2.408 10 0 CEAERO C[C@@H]1C[NH2+]C2(CCCC2)CN1CCc1cccnc1 ZINC000086223252 179251601 /nfs/dbraw/zinc/25/16/01/179251601.db2.gz NCVYUAHGZWNATD-CQSZACIVSA-N 1 0 259.397 2.231 10 0 CEAERO C[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1CCc1ccncc1 ZINC000086223304 179251792 /nfs/dbraw/zinc/25/17/92/179251792.db2.gz OWGQUHUEIHMTLE-CZUORRHYSA-N 1 0 259.397 2.087 10 0 CEAERO CCC1(CC)CN(CCc2ccncc2)[C@H](C)C[NH2+]1 ZINC000086223336 179252348 /nfs/dbraw/zinc/25/23/48/179252348.db2.gz VHPVAGWCOGHWAJ-CQSZACIVSA-N 1 0 261.413 2.477 10 0 CEAERO CC[C@H]1CN(CCc2cccnc2)[C@H](C(C)C)C[NH2+]1 ZINC000086223249 179252409 /nfs/dbraw/zinc/25/24/09/179252409.db2.gz UKIMEZMFZZZYTJ-HOTGVXAUSA-N 1 0 261.413 2.333 10 0 CEAERO Cc1noc(CN2C[C@](C)(c3ccccc3)[NH2+]C[C@@H]2C)n1 ZINC000086260320 179259047 /nfs/dbraw/zinc/25/90/47/179259047.db2.gz NPLOIKPNNZHWLP-BLLLJJGKSA-N 1 0 286.379 2.087 10 0 CEAERO CC[C@H]1C[NH2+][C@@](C)(CC)CN1Cc1cc(C)no1 ZINC000086260394 179259400 /nfs/dbraw/zinc/25/94/00/179259400.db2.gz KONCSHDRUASXJH-JSGCOSHPSA-N 1 0 251.374 2.336 10 0 CEAERO C[C@@H]1C[NH2+][C@](C)(C2CC2)CN1C[C@@H]1Cc2ccccc2O1 ZINC000086261671 179259937 /nfs/dbraw/zinc/25/99/37/179259937.db2.gz ZMFVYWTZGFDKNV-SKDZVZGDSA-N 1 0 286.419 2.453 10 0 CEAERO C[C@@H]1C[NH2+][C@H](c2ccccc2)CN1[C@@H]1CCCOC1 ZINC000086265141 179261275 /nfs/dbraw/zinc/26/12/75/179261275.db2.gz JHLLOCYGLFVGCH-BMFZPTHFSA-N 1 0 260.381 2.200 10 0 CEAERO CCC[C@H](COC)[N@@H+]1C[C@H](C2CC2)NC[C@@H]1CC ZINC000086267558 179261651 /nfs/dbraw/zinc/26/16/51/179261651.db2.gz SOCFRTZPPOYFMB-RRFJBIMHSA-N 1 0 254.418 2.264 10 0 CEAERO Brc1csc(N[C@H]2C[NH+]3CCC2CC3)n1 ZINC000086278651 179262663 /nfs/dbraw/zinc/26/26/63/179262663.db2.gz KGZKYTJHJVJMIL-QMMMGPOBSA-N 1 0 288.214 2.412 10 0 CEAERO Brc1csc(NCC[NH+]2CCCC2)n1 ZINC000086279803 179263552 /nfs/dbraw/zinc/26/35/52/179263552.db2.gz SZJOEEDDVBWKPU-UHFFFAOYSA-N 1 0 276.203 2.413 10 0 CEAERO CC(C)C[C@H]1CN(CCc2cccnc2)CCC[NH2+]1 ZINC000086288728 179264639 /nfs/dbraw/zinc/26/46/39/179264639.db2.gz YPBXSMNSHGPYTB-INIZCTEOSA-N 1 0 261.413 2.334 10 0 CEAERO C[C@@H]1CN[C@H](C(C)(C)C)C[N@@H+]1CC[C@@H]1CCCO1 ZINC000086258892 179256901 /nfs/dbraw/zinc/25/69/01/179256901.db2.gz SAOUKWKZUGIBCS-RDBSUJKOSA-N 1 0 254.418 2.264 10 0 CEAERO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2CO)c(F)c1 ZINC000231311351 539567130 /nfs/dbraw/zinc/56/71/30/539567130.db2.gz PXROSVRJQSJLIV-SWLSCSKDSA-N 1 0 267.344 2.475 10 0 CEAERO CC[C@H]1CN(Cc2ccc(OC)cc2OC)CCC[NH2+]1 ZINC000086297669 179267589 /nfs/dbraw/zinc/26/75/89/179267589.db2.gz NHMBNGCCYGMSDB-AWEZNQCLSA-N 1 0 278.396 2.278 10 0 CEAERO c1ccc(C[C@H]2CN([C@@H]3CCCOC3)CCC[NH2+]2)cc1 ZINC000086297589 179267720 /nfs/dbraw/zinc/26/77/20/179267720.db2.gz JMKXAVCGVUUPCE-DLBZAZTESA-N 1 0 274.408 2.072 10 0 CEAERO COc1cc(CN2CCC[NH2+][C@H](CC(C)C)C2)ccn1 ZINC000086296316 179268049 /nfs/dbraw/zinc/26/80/49/179268049.db2.gz XWCTXTIXYLMTQJ-OAHLLOKOSA-N 1 0 277.412 2.300 10 0 CEAERO COC(=O)CC[C@H]([NH3+])Cc1ccc2ccccc2n1 ZINC000086317296 179269642 /nfs/dbraw/zinc/26/96/42/179269642.db2.gz MBNUMNOTFUZDNV-LBPRGKRZSA-N 1 0 258.321 2.058 10 0 CEAERO [NH3+]C[C@@H](NC[C@@H]1CCCO1)c1cc(Cl)cs1 ZINC000086333401 179273709 /nfs/dbraw/zinc/27/37/09/179273709.db2.gz UZFXKVKLAPBXAK-VHSXEESVSA-N 1 0 260.790 2.170 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(c2nc3c(s2)CCC[C@@H]3O)CC1 ZINC000086444732 179294816 /nfs/dbraw/zinc/29/48/16/179294816.db2.gz YFYAWCMAUXJODR-NEPJUHHUSA-N 1 0 295.452 2.433 10 0 CEAERO CC[C@@H]1CN(C(=O)c2cccc(N(C)C)c2)[C@@H](CC)C[NH2+]1 ZINC000086446365 179294879 /nfs/dbraw/zinc/29/48/79/179294879.db2.gz LQQAAHDXYRUFBR-CABCVRRESA-N 1 0 289.423 2.355 10 0 CEAERO CC[C@@H]1CN(C(=O)c2cc(Cl)c[nH]2)[C@@H](CC)C[NH2+]1 ZINC000086447170 179296048 /nfs/dbraw/zinc/29/60/48/179296048.db2.gz FDHLFTSWXMNNKQ-MNOVXSKESA-N 1 0 269.776 2.271 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)CCc1ccco1 ZINC000086447329 179295482 /nfs/dbraw/zinc/29/54/82/179295482.db2.gz HVLLWMJFWPWADI-QWHCGFSZSA-N 1 0 264.369 2.201 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)[C@H]1C[C@H]1c1ccccc1Cl ZINC000261862862 290827814 /nfs/dbraw/zinc/82/78/14/290827814.db2.gz YQHATWAARMVUHX-USWWRNFRSA-N 1 0 266.772 2.168 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)c1cccs1 ZINC000086447948 179295796 /nfs/dbraw/zinc/29/57/96/179295796.db2.gz APLVDYDQISEKAS-WDEREUQCSA-N 1 0 252.383 2.351 10 0 CEAERO C[NH2+][C@H]1CCCc2sc(C[C@@H]3CCCO3)nc21 ZINC000086439076 179292579 /nfs/dbraw/zinc/29/25/79/179292579.db2.gz RJTUFSSWSQBNRF-UWVGGRQHSA-N 1 0 252.383 2.461 10 0 CEAERO CC[C@@H](CC[NH3+])CCC(=O)NOCc1ccccc1 ZINC000086437201 179292585 /nfs/dbraw/zinc/29/25/85/179292585.db2.gz FKYMJUXUXNBTAF-CYBMUJFWSA-N 1 0 264.369 2.390 10 0 CEAERO [NH3+]C1(CC(=O)NOCc2ccccc2)CCCCC1 ZINC000086436926 179292718 /nfs/dbraw/zinc/29/27/18/179292718.db2.gz RTICRRSPMMERNA-UHFFFAOYSA-N 1 0 262.353 2.286 10 0 CEAERO c1ccc2c(c1)C[C@H]2c1noc([C@H]2CCC[NH2+]C2)n1 ZINC000086486493 179301689 /nfs/dbraw/zinc/30/16/89/179301689.db2.gz SOHBSPFQXDVDEU-WCQYABFASA-N 1 0 255.321 2.225 10 0 CEAERO C[NH2+][C@@H](Cc1cnccc1N)[C@@H]1Cc2ccccc21 ZINC000086488956 179302204 /nfs/dbraw/zinc/30/22/04/179302204.db2.gz GHKRXBXVWRKJHS-ZBFHGGJFSA-N 1 0 253.349 2.134 10 0 CEAERO CC[C@@H]([NH3+])Cc1cnc([C@H]2Cc3ccccc32)nc1 ZINC000086490822 179302611 /nfs/dbraw/zinc/30/26/11/179302611.db2.gz HHTGGBMJDRMSSP-HIFRSBDPSA-N 1 0 253.349 2.444 10 0 CEAERO CC[C@H]1CN(CC(=O)Nc2ccccc2F)[C@@H](CC)C[NH2+]1 ZINC000086465731 179297131 /nfs/dbraw/zinc/29/71/31/179297131.db2.gz YNVHVORTJFOXMS-STQMWFEESA-N 1 0 293.386 2.227 10 0 CEAERO CC[C@@H]1CN(CCc2scnc2C)[C@@H](CC)C[NH2+]1 ZINC000086465532 179297230 /nfs/dbraw/zinc/29/72/30/179297230.db2.gz RCEGINXVDZPSJW-OLZOCXBDSA-N 1 0 267.442 2.456 10 0 CEAERO CC[C@@H]1CN(C[C@@H]2COC3(CCCC3)O2)[C@@H](CC)C[NH2+]1 ZINC000086465227 179297243 /nfs/dbraw/zinc/29/72/43/179297243.db2.gz PSDOKRVSNNEYQG-QLFBSQMISA-N 1 0 282.428 2.135 10 0 CEAERO C[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2F)[C@@H](C)C[NH2+]1 ZINC000086469105 179299708 /nfs/dbraw/zinc/29/97/08/179299708.db2.gz GLTNLFHRDCHBKW-UWVGGRQHSA-N 1 0 299.777 2.100 10 0 CEAERO C[C@H]1CN(Cc2ncc(C(C)(C)C)o2)[C@@H](C)C[NH2+]1 ZINC000086469529 179300095 /nfs/dbraw/zinc/30/00/95/179300095.db2.gz GAMFOVLTFYIZBO-QWRGUYRKSA-N 1 0 251.374 2.154 10 0 CEAERO C[C@@](O)(CC[NH3+])c1cscc1Br ZINC000086558368 179307906 /nfs/dbraw/zinc/30/79/06/179307906.db2.gz YEMOJZBDBBBYFP-MRVPVSSYSA-N 1 0 250.161 2.067 10 0 CEAERO C[NH2+]CCc1nc2cc(F)c(Br)cc2[nH]1 ZINC000086598600 179310664 /nfs/dbraw/zinc/31/06/64/179310664.db2.gz RPIXFEBFZOLCCP-UHFFFAOYSA-N 1 0 272.121 2.226 10 0 CEAERO CC[NH2+]CC(C)(C)Cn1cc(Br)cn1 ZINC000086595958 179310756 /nfs/dbraw/zinc/31/07/56/179310756.db2.gz HTWCWRGZKPMBNZ-UHFFFAOYSA-N 1 0 260.179 2.281 10 0 CEAERO COc1ccc([C@@H]([NH2+]C2CCCC2)C(N)=O)cc1Cl ZINC000086595420 179310822 /nfs/dbraw/zinc/31/08/22/179310822.db2.gz SYQYQDDAOHHFLQ-CYBMUJFWSA-N 1 0 282.771 2.407 10 0 CEAERO CCc1cc2c(ncnc2NC[C@H](C)C[NH3+])s1 ZINC000086634513 179314736 /nfs/dbraw/zinc/31/47/36/179314736.db2.gz MZTKNOWRIADLEK-MRVPVSSYSA-N 1 0 250.371 2.260 10 0 CEAERO C[C@@H]1C[NH+]=C(NC[C@H]2Cc3ccccc3O2)SC1 ZINC000086633269 179314768 /nfs/dbraw/zinc/31/47/68/179314768.db2.gz SWGRLZVZUDDNCO-ZYHUDNBSSA-N 1 0 262.378 2.319 10 0 CEAERO C[C@H]1C[NH+]=C(NC[C@H]2Cc3ccccc3O2)SC1 ZINC000086633272 179314804 /nfs/dbraw/zinc/31/48/04/179314804.db2.gz SWGRLZVZUDDNCO-CMPLNLGQSA-N 1 0 262.378 2.319 10 0 CEAERO Cc1csc(S[C@H]2CCC[C@@]([NH3+])(CO)C2)n1 ZINC000086617588 179311785 /nfs/dbraw/zinc/31/17/85/179311785.db2.gz RTNLPCISQZRVOM-ONGXEEELSA-N 1 0 258.412 2.176 10 0 CEAERO Cc1nc(S[C@@H](c2cnn(C)c2)[C@H](C)[NH3+])nc(C)c1C ZINC000086643636 179315742 /nfs/dbraw/zinc/31/57/42/179315742.db2.gz WMVXTWYHVJPQNN-TVQRCGJNSA-N 1 0 291.424 2.316 10 0 CEAERO COCCC[NH2+]CCSc1nc(C)c(C)c(C)n1 ZINC000086645262 179316639 /nfs/dbraw/zinc/31/66/39/179316639.db2.gz HFQPGODFZGKVPS-UHFFFAOYSA-N 1 0 269.414 2.120 10 0 CEAERO CC[NH2+][C@H](Cc1ccccc1)[C@@H]1CN(C(C)C)CCO1 ZINC000086655225 179316790 /nfs/dbraw/zinc/31/67/90/179316790.db2.gz QWLJQNJLESQNFE-SJORKVTESA-N 1 0 276.424 2.316 10 0 CEAERO Cc1cccc(C[NH2+][C@H]2CCC[C@@H]2S(C)(=O)=O)c1 ZINC000086671434 179317529 /nfs/dbraw/zinc/31/75/29/179317529.db2.gz PKXRWIUHNMDKDT-KBPBESRZSA-N 1 0 267.394 2.050 10 0 CEAERO CS(=O)(=O)[C@H]1CCC[C@H]1[NH2+]CCSc1ccccc1 ZINC000086675298 179318514 /nfs/dbraw/zinc/31/85/14/179318514.db2.gz GNJYLXZTNVAQLM-KGLIPLIRSA-N 1 0 299.461 2.334 10 0 CEAERO CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2S(C)(=O)=O)[C@@H]1C ZINC000086676250 179318985 /nfs/dbraw/zinc/31/89/85/179318985.db2.gz CXPAQJATVUXRNZ-RGDJUOJXSA-N 1 0 273.442 2.366 10 0 CEAERO C[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[C@@H]1S(C)(=O)=O ZINC000086676013 179319305 /nfs/dbraw/zinc/31/93/05/179319305.db2.gz QIOWMJKKJHOIJG-SNPRPXQTSA-N 1 0 281.421 2.173 10 0 CEAERO CCOC(=O)[C@]1(NCC[NH+](CC)CC)CCC[C@H]1C ZINC000086678045 179319444 /nfs/dbraw/zinc/31/94/44/179319444.db2.gz DGJQSCGMKCCJCR-HIFRSBDPSA-N 1 0 270.417 2.040 10 0 CEAERO CC[C@@H](C(C)C)[NH+]1CCC([N@@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000086776221 179327898 /nfs/dbraw/zinc/32/78/98/179327898.db2.gz SCLAYHPOSSLPAB-LSDHHAIUSA-N 1 0 282.428 2.434 10 0 CEAERO CCC[NH+]1CCC([N@@H+]2CC[C@@](CC)(C(=O)[O-])C2)CC1 ZINC000086780668 179329834 /nfs/dbraw/zinc/32/98/34/179329834.db2.gz IYWRFNXWRAFPPC-OAHLLOKOSA-N 1 0 268.401 2.048 10 0 CEAERO CC(C)C1CCC(C[NH3+])(OCCC(=O)NC2CC2)CC1 ZINC000086713563 179322645 /nfs/dbraw/zinc/32/26/45/179322645.db2.gz ARBBUPPDPKXTBR-UHFFFAOYSA-N 1 0 282.428 2.215 10 0 CEAERO C[C@H]1CCC[C@](C[NH3+])(OCC(=O)NCc2ccccc2)C1 ZINC000086712360 179322719 /nfs/dbraw/zinc/32/27/19/179322719.db2.gz GZGQYPUTMBGBOM-YOEHRIQHSA-N 1 0 290.407 2.227 10 0 CEAERO CC(C)OC[C@H](O)COC1(C[NH3+])CCC(C(C)C)CC1 ZINC000086713545 179322843 /nfs/dbraw/zinc/32/28/43/179322843.db2.gz KZMBHENJELXKQH-PCKAHOCUSA-N 1 0 287.444 2.333 10 0 CEAERO CCNC(=O)CCOC1(C[NH3+])CCC(C(C)(C)C)CC1 ZINC000086713678 179322976 /nfs/dbraw/zinc/32/29/76/179322976.db2.gz FVMGMOLOIOAPTJ-UHFFFAOYSA-N 1 0 284.444 2.463 10 0 CEAERO CC[C@@](C)([NH3+])C(=O)N(C)Cc1ccc(Br)o1 ZINC000086803723 179336853 /nfs/dbraw/zinc/33/68/53/179336853.db2.gz ORKWBGGILPHLMV-LLVKDONJSA-N 1 0 289.173 2.128 10 0 CEAERO C[C@@H]([NH3+])c1nc(-c2ncc(Cl)cc2Cl)n[nH]1 ZINC000086784424 179332468 /nfs/dbraw/zinc/33/24/68/179332468.db2.gz BPZXXMWPDURRCH-SCSAIBSYSA-N 1 0 258.112 2.193 10 0 CEAERO COC(=O)[C@@]1(Nc2cccc(F)c2)CCC[N@H+](C)CC1 ZINC000086833312 179349193 /nfs/dbraw/zinc/34/91/93/179349193.db2.gz WNNRXJKKKKXJPN-OAHLLOKOSA-N 1 0 280.343 2.265 10 0 CEAERO COC(=O)[C@]1(Nc2cccc(OC)c2)CCC[N@H+](C)CC1 ZINC000086833301 179349405 /nfs/dbraw/zinc/34/94/05/179349405.db2.gz UXDPDIYNTZJBOK-INIZCTEOSA-N 1 0 292.379 2.135 10 0 CEAERO CC(C)[NH+]1CCC([N@@H+]2CCC[C@H](CCC(=O)[O-])C2)CC1 ZINC000086810025 179340105 /nfs/dbraw/zinc/34/01/05/179340105.db2.gz UGJOYXGSIXNUGG-CQSZACIVSA-N 1 0 282.428 2.436 10 0 CEAERO CCC[N@@H+]1CCC[C@@](Nc2ccc(F)cc2)(C(N)=O)CC1 ZINC000086849369 179357820 /nfs/dbraw/zinc/35/78/20/179357820.db2.gz MXMPSJDQWUUYDI-INIZCTEOSA-N 1 0 293.386 2.358 10 0 CEAERO CCC[N@@H+]1CCC[C@H](NCc2nnc3ccccn32)CC1 ZINC000086836776 179351782 /nfs/dbraw/zinc/35/17/82/179351782.db2.gz NWKLRDAEQGNPQD-AWEZNQCLSA-N 1 0 287.411 2.083 10 0 CEAERO CCN(C(=O)/C=C\c1ccco1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000104000047 185879112 /nfs/dbraw/zinc/87/91/12/185879112.db2.gz UPYOIJPRAOIEKE-HHYRSUKSSA-N 1 0 274.364 2.424 10 0 CEAERO CC[N@@H+]1CCC[C@@](O)([C@@H]2Cc3ccccc3N2)CC1 ZINC000086851902 179359876 /nfs/dbraw/zinc/35/98/76/179359876.db2.gz VTIIOVZNULEKPQ-HOTGVXAUSA-N 1 0 260.381 2.260 10 0 CEAERO CC1(C)CC[C@@H](S(=O)(=O)c2cccs2)[C@@H]1[NH3+] ZINC000086866844 179360399 /nfs/dbraw/zinc/36/03/99/179360399.db2.gz FEORCXQPLNJTQF-SCZZXKLOSA-N 1 0 259.396 2.038 10 0 CEAERO Cc1cnc(N)c([C@]2(O)CCC[N@@H+](C(C)C)CC2)c1 ZINC000086867655 179360667 /nfs/dbraw/zinc/36/06/67/179360667.db2.gz SLGCQCZEPDBTSF-HNNXBMFYSA-N 1 0 263.385 2.054 10 0 CEAERO CCC[N@@H+]1CCC[C@](C(=O)[O-])([NH+](CC)CC)CC1 ZINC000086867809 179360876 /nfs/dbraw/zinc/36/08/76/179360876.db2.gz UOWDULIOZPBLNZ-AWEZNQCLSA-N 1 0 256.390 2.048 10 0 CEAERO CC[N@@H+]1CCC[C@@H]([NH+]2CCC(CCC(=O)[O-])CC2)CC1 ZINC000086868877 179361859 /nfs/dbraw/zinc/36/18/59/179361859.db2.gz JDQMXOBPQHJORO-OAHLLOKOSA-N 1 0 282.428 2.438 10 0 CEAERO CCC[N@@H+]1CCC[C@@H]([NH+]2CC[C@@](C)(C(=O)[O-])C2)CC1 ZINC000086869101 179362060 /nfs/dbraw/zinc/36/20/60/179362060.db2.gz LSMPNFOOGBGZQN-UKRRQHHQSA-N 1 0 268.401 2.048 10 0 CEAERO [NH3+][C@]1(c2ccc3c(c2)OCCCO3)CCCOCC1 ZINC000086870258 179363346 /nfs/dbraw/zinc/36/33/46/179363346.db2.gz XOAVQTPCZLIPRM-OAHLLOKOSA-N 1 0 263.337 2.202 10 0 CEAERO COc1ccc([C@@]2([NH3+])CCCOCC2)cc1OC ZINC000086870423 179363754 /nfs/dbraw/zinc/36/37/54/179363754.db2.gz YISMJNPXFIQHDX-CQSZACIVSA-N 1 0 251.326 2.058 10 0 CEAERO CC[N@@H+]1CCC[C@@](NCCOC)(c2nc(C)cs2)CC1 ZINC000086851695 179359249 /nfs/dbraw/zinc/35/92/49/179359249.db2.gz XJMFBRWJZXMYGF-HNNXBMFYSA-N 1 0 297.468 2.389 10 0 CEAERO CCS(=O)(=O)CCCC1([NH3+])C[C@H](C)C[C@@H](C)C1 ZINC000086977490 179372403 /nfs/dbraw/zinc/37/24/03/179372403.db2.gz ISOVPXIUQFLIEM-VXGBXAGGSA-N 1 0 261.431 2.355 10 0 CEAERO CCS(=O)(=O)CCC[C@H](C[NH3+])Cc1ccc(OC)cc1 ZINC000086980683 179373087 /nfs/dbraw/zinc/37/30/87/179373087.db2.gz NAYDPLDLRDUUNH-AWEZNQCLSA-N 1 0 299.436 2.028 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH2+]C)[C@H]1Cc2ccccc21 ZINC000086979866 179373252 /nfs/dbraw/zinc/37/32/52/179373252.db2.gz RYRWZDJFJKVKKL-GJZGRUSLSA-N 1 0 281.421 2.129 10 0 CEAERO C1Cc2nc([C@@H]3CSCCS3)sc2C[NH2+]1 ZINC000086985335 179373791 /nfs/dbraw/zinc/37/37/91/179373791.db2.gz BHJCIJYXFPXBEU-VIFPVBQESA-N 1 0 258.437 2.310 10 0 CEAERO Cc1nc([C@@H]2CSCCS2)ncc1[C@@H](C)[NH3+] ZINC000086985381 179373607 /nfs/dbraw/zinc/37/36/07/179373607.db2.gz DMKRGEOXHNWWIM-XCBNKYQSSA-N 1 0 255.412 2.326 10 0 CEAERO CCOC(=O)[C@]1(N2CCC[NH2+]CC2)CCC[C@H](C)CC1 ZINC000086891879 179366478 /nfs/dbraw/zinc/36/64/78/179366478.db2.gz RWJDIKZZKDYZMM-HOCLYGCPSA-N 1 0 282.428 2.184 10 0 CEAERO CC[C@H]1CCC[C@@](C[NH3+])(N2CCn3ccnc3C2)CC1 ZINC000086913304 179367119 /nfs/dbraw/zinc/36/71/19/179367119.db2.gz BQSFFYQTZQLDTC-GOEBONIOSA-N 1 0 276.428 2.387 10 0 CEAERO CCOC(=O)[C@@]1(N2CC[NH2+]CC2)CCC[C@H](CC)CC1 ZINC000086915886 179367246 /nfs/dbraw/zinc/36/72/46/179367246.db2.gz RWOWLNLRKFRRRZ-GOEBONIOSA-N 1 0 282.428 2.184 10 0 CEAERO CC[C@H]1CCC[C@@]([NH3+])(CCCS(C)(=O)=O)CC1 ZINC000086896331 179367356 /nfs/dbraw/zinc/36/73/56/179367356.db2.gz ADKURBFPUYOBJE-QWHCGFSZSA-N 1 0 261.431 2.499 10 0 CEAERO CCC[C@@H]1CCC[C@@H]([NH2+]CCCS(N)(=O)=O)CC1 ZINC000086945856 179367896 /nfs/dbraw/zinc/36/78/96/179367896.db2.gz BTAAKVXXNDSLLS-CHWSQXEVSA-N 1 0 276.446 2.004 10 0 CEAERO CCC[C@@H]1CCC[C@@](C(=O)[O-])([N@@H+]2CCC[NH2+]CC2)CC1 ZINC000086949795 179368379 /nfs/dbraw/zinc/36/83/79/179368379.db2.gz QKIAOFNKCWZOGL-GDBMZVCRSA-N 1 0 282.428 2.486 10 0 CEAERO CC(C)[C@H]1CCC[C@@](C[NH3+])(N2CCn3cnnc3C2)CC1 ZINC000086949092 179369058 /nfs/dbraw/zinc/36/90/58/179369058.db2.gz MVZSLIWQGOGAJQ-GOEBONIOSA-N 1 0 291.443 2.028 10 0 CEAERO CC[NH2+][C@H](C)[C@H](CC)c1nc(CCCOC)no1 ZINC000086971913 179370499 /nfs/dbraw/zinc/37/04/99/179370499.db2.gz SDHZKNLOGUZKOS-MNOVXSKESA-N 1 0 255.362 2.140 10 0 CEAERO CCC[NH2+][C@H](C)c1cnc(CCCOC)nc1C ZINC000086971519 179370803 /nfs/dbraw/zinc/37/08/03/179370803.db2.gz PGXVHQYEGKHCBX-LLVKDONJSA-N 1 0 251.374 2.425 10 0 CEAERO CC[NH2+][C@@H](C1CCOCC1)[C@@H]1CSCCS1 ZINC000086984379 179373756 /nfs/dbraw/zinc/37/37/56/179373756.db2.gz FVARYLNFTWBBEF-RYUDHWBXSA-N 1 0 261.456 2.240 10 0 CEAERO CCS(=O)(=O)CCC[C@](C)([NH3+])Cc1ccc(OC)cc1 ZINC000086977445 179371925 /nfs/dbraw/zinc/37/19/25/179371925.db2.gz YHPPMYCQSOZUEQ-HNNXBMFYSA-N 1 0 299.436 2.170 10 0 CEAERO CCC[NH2+][C@@H](CCCS(=O)(=O)CC)C[C@H]1CCCO1 ZINC000086978859 179372349 /nfs/dbraw/zinc/37/23/49/179372349.db2.gz UIYWVCAQZHKOPC-UONOGXRCSA-N 1 0 291.457 2.139 10 0 CEAERO CCC(O)(CC)C[NH2+]C[C@@H](C(=O)OC)c1ccccc1 ZINC000087028269 179381995 /nfs/dbraw/zinc/38/19/95/179381995.db2.gz GDHNYBUPUXYXHN-CQSZACIVSA-N 1 0 279.380 2.084 10 0 CEAERO CCC(O)(CC)C[NH2+][C@H]1CCS(=O)(=O)c2ccccc21 ZINC000087015198 179380243 /nfs/dbraw/zinc/38/02/43/179380243.db2.gz BTBNVVBEAGZJNF-ZDUSSCGKSA-N 1 0 297.420 2.046 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]CC2(O)CCCC2)c1C ZINC000087016916 179380628 /nfs/dbraw/zinc/38/06/28/179380628.db2.gz GGHYLXCINRQSHK-NSHDSACASA-N 1 0 265.401 2.476 10 0 CEAERO CC[C@](C)(O)C[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000087028072 179381663 /nfs/dbraw/zinc/38/16/63/179381663.db2.gz LPSRJJRPLCNUDG-OLZOCXBDSA-N 1 0 257.761 2.124 10 0 CEAERO CC(C)[NH2+]Cc1cnc([C@@H]2CSCCO2)s1 ZINC000086989823 179374710 /nfs/dbraw/zinc/37/47/10/179374710.db2.gz UCILYFMNRDHWOQ-JTQLQIEISA-N 1 0 258.412 2.446 10 0 CEAERO CCOCCN(CC)[C@@H](C[NH3+])c1ccc(OC)c(F)c1 ZINC000086992286 179375251 /nfs/dbraw/zinc/37/52/51/179375251.db2.gz YVYYDLQUCLHPKD-AWEZNQCLSA-N 1 0 284.375 2.193 10 0 CEAERO COCC[NH2+]C[C@H]1C[C@H]1c1ccc(OC)c(F)c1 ZINC000086995554 179376710 /nfs/dbraw/zinc/37/67/10/179376710.db2.gz NDRWXOVYKZUAMG-NEPJUHHUSA-N 1 0 253.317 2.174 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1C(=O)c1c(F)cc(F)cc1F ZINC000086997901 179377562 /nfs/dbraw/zinc/37/75/62/179377562.db2.gz PDMHDNWSQNFQMK-VIFPVBQESA-N 1 0 272.270 2.057 10 0 CEAERO c1cc2c(cc1[C@H]1C[NH2+]CC3(CCCC3)O1)OCCO2 ZINC000087007869 179378285 /nfs/dbraw/zinc/37/82/85/179378285.db2.gz BWUYKSSMAZJVSJ-OAHLLOKOSA-N 1 0 275.348 2.432 10 0 CEAERO C[C@H]([NH2+]C[C@@]1(O)CCC[C@@H](C)C1)c1nccn1C ZINC000087049995 179388934 /nfs/dbraw/zinc/38/89/34/179388934.db2.gz SBDBUUKEELMSRE-MBNYWOFBSA-N 1 0 251.374 2.012 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](c2nc(CSC(C)(C)C)no2)C1 ZINC000087115798 179395560 /nfs/dbraw/zinc/39/55/60/179395560.db2.gz IFUKYCCIKKAPFN-IUCAKERBSA-N 1 0 271.386 2.151 10 0 CEAERO CC1CCC(O)(C[NH2+]C[C@H](O)c2ccccc2)CC1 ZINC000087061832 179389595 /nfs/dbraw/zinc/38/95/95/179389595.db2.gz UBUPUHCGOMGDKM-SIWZUTFBSA-N 1 0 263.381 2.251 10 0 CEAERO C[C@H]1CCC[C@](O)(C[NH2+]CC(=O)Nc2ccccc2F)C1 ZINC000087064776 179389877 /nfs/dbraw/zinc/38/98/77/179389877.db2.gz QOOSHCNMEWLPGD-BLLLJJGKSA-N 1 0 294.370 2.295 10 0 CEAERO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]CC1(O)CCC(C)(C)CC1 ZINC000087063962 179390375 /nfs/dbraw/zinc/39/03/75/179390375.db2.gz NITGJNQISMGYCH-OLZOCXBDSA-N 1 0 284.444 2.211 10 0 CEAERO CCC1CCC(O)(CNC(=O)CC2([NH3+])CCCCC2)CC1 ZINC000087070473 179391163 /nfs/dbraw/zinc/39/11/63/179391163.db2.gz JFYIWUPEXGKAIL-UHFFFAOYSA-N 1 0 296.455 2.486 10 0 CEAERO O=C(CC[C@H]1CCCC[NH2+]1)NCC1(O)CCCCCC1 ZINC000087089931 179393634 /nfs/dbraw/zinc/39/36/34/179393634.db2.gz QRHQKDAYZZEEIP-CQSZACIVSA-N 1 0 282.428 2.110 10 0 CEAERO CCC[NH2+][C@H]1CCCN(CC2(O)CCCCCC2)C1=O ZINC000087089775 179393635 /nfs/dbraw/zinc/39/36/35/179393635.db2.gz UUBMSQJADVRMSA-AWEZNQCLSA-N 1 0 282.428 2.062 10 0 CEAERO C[NH2+][C@H](CCCS(C)(=O)=O)CSC1CCCCC1 ZINC000087149637 179397568 /nfs/dbraw/zinc/39/75/68/179397568.db2.gz WJILCSCYAXYGAF-GFCCVEGCSA-N 1 0 293.498 2.465 10 0 CEAERO CCCN(CCC[NH3+])C(=O)c1c(C)oc(C)c1C ZINC000087188166 179399687 /nfs/dbraw/zinc/39/96/87/179399687.db2.gz QIYMRFFYCLIDPV-UHFFFAOYSA-N 1 0 252.358 2.406 10 0 CEAERO [NH3+]CCCN(C(=O)C[C@@H]1CCCO1)c1ccccc1F ZINC000087203774 179401065 /nfs/dbraw/zinc/40/10/65/179401065.db2.gz HPNGWMAAPNNDEL-LBPRGKRZSA-N 1 0 280.343 2.077 10 0 CEAERO C[NH2+][C@@H](C)c1ccccc1NC(=O)C[C@@H]1CCCO1 ZINC000087209620 179401598 /nfs/dbraw/zinc/40/15/98/179401598.db2.gz RDUXZFAGEBJMQX-RYUDHWBXSA-N 1 0 262.353 2.475 10 0 CEAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)N1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000087212152 179402072 /nfs/dbraw/zinc/40/20/72/179402072.db2.gz CXTHSWBCEUVDDW-STGWMILLSA-N 1 0 294.439 2.037 10 0 CEAERO [NH3+]CCc1nc2ccccc2n1CCC[C@@H]1CCCO1 ZINC000087277416 179407362 /nfs/dbraw/zinc/40/73/62/179407362.db2.gz VFSBSCZKVYRKSC-CYBMUJFWSA-N 1 0 273.380 2.497 10 0 CEAERO CC(C)[C@H](C[NH3+])NC(=O)CCc1c[nH]c2ccccc12 ZINC000087403729 179420123 /nfs/dbraw/zinc/42/01/23/179420123.db2.gz MFKPFDTZKCJUMT-HNNXBMFYSA-N 1 0 273.380 2.200 10 0 CEAERO CC(C)c1ccc(S(=O)(=O)N[C@@H](C[NH3+])C(C)C)cc1 ZINC000087404900 179420223 /nfs/dbraw/zinc/42/02/23/179420223.db2.gz PWDAHSNGJUDXHJ-AWEZNQCLSA-N 1 0 284.425 2.072 10 0 CEAERO CCCc1nnsc1C(=O)N(CCC)[C@@H]1CCC[NH2+]C1 ZINC000087455855 179428217 /nfs/dbraw/zinc/42/82/17/179428217.db2.gz FWHAJXDIMLVREV-LLVKDONJSA-N 1 0 296.440 2.095 10 0 CEAERO OC1(C[NH2+]Cc2ccccc2-n2cccn2)CCCC1 ZINC000087459872 179429208 /nfs/dbraw/zinc/42/92/08/179429208.db2.gz DEOFZXRDUDCKPA-UHFFFAOYSA-N 1 0 271.364 2.267 10 0 CEAERO CCC[NH2+][C@@H](CC[C@@H]1CCCO1)c1cnn(C)c1 ZINC000087423622 179424039 /nfs/dbraw/zinc/42/40/39/179424039.db2.gz IFZFTGHYCXNGOV-KBPBESRZSA-N 1 0 251.374 2.420 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2c[nH]nc2C)C12CCOCC2 ZINC000248633325 539638478 /nfs/dbraw/zinc/63/84/78/539638478.db2.gz IXOWLVRIFRPZKS-BYCMXARLSA-N 1 0 293.411 2.343 10 0 CEAERO C[C@@H]([NH2+][C@@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C)[C@@H]1CCCO1 ZINC000248632879 539638566 /nfs/dbraw/zinc/63/85/66/539638566.db2.gz WXXDMGAQJIQCAE-RMEBNNNOSA-N 1 0 282.428 2.322 10 0 CEAERO C[NH2+]CCOCCc1sccc1Br ZINC000087631959 179459720 /nfs/dbraw/zinc/45/97/20/179459720.db2.gz FPIJVUQPZSYHFO-UHFFFAOYSA-N 1 0 264.188 2.289 10 0 CEAERO CCc1nsc(N2CCC([C@H]3CCC[NH2+]3)CC2)n1 ZINC000087642627 179462575 /nfs/dbraw/zinc/46/25/75/179462575.db2.gz LRLLPCSMUCZBLQ-LLVKDONJSA-N 1 0 266.414 2.069 10 0 CEAERO C[C@H]([NH3+])CCC[C@H](C)C(=O)N[C@@H](C)c1cccnc1 ZINC000087684557 179470563 /nfs/dbraw/zinc/47/05/63/179470563.db2.gz LQJAPOAGWFGONO-AVGNSLFASA-N 1 0 263.385 2.412 10 0 CEAERO COCCN(CC(C)C)C(=O)[C@@H](C)CCC[C@H](C)[NH3+] ZINC000087695925 179471868 /nfs/dbraw/zinc/47/18/68/179471868.db2.gz LIUONQLHJZBYNB-KBPBESRZSA-N 1 0 272.433 2.271 10 0 CEAERO Cc1nnc(S[C@@H](C)c2ccccc2)n1CC[NH3+] ZINC000087711341 179476412 /nfs/dbraw/zinc/47/64/12/179476412.db2.gz DFFJNVFLQFBHSS-JTQLQIEISA-N 1 0 262.382 2.399 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000087514743 179437862 /nfs/dbraw/zinc/43/78/62/179437862.db2.gz RYENHOYLMBUOBI-QMMMGPOBSA-N 1 0 256.733 2.272 10 0 CEAERO CCOc1ccc(NC(=O)[C@@H](CC)C[NH3+])cc1OC ZINC000087519516 179439036 /nfs/dbraw/zinc/43/90/36/179439036.db2.gz UEQSAAFTVIFCRJ-JTQLQIEISA-N 1 0 266.341 2.017 10 0 CEAERO CC(C)[C@H](C[NH3+])C(=O)N[C@@H](C)Cc1c(F)cccc1F ZINC000087523394 179440320 /nfs/dbraw/zinc/44/03/20/179440320.db2.gz GTATVACNXZIUAH-JQWIXIFHSA-N 1 0 284.350 2.243 10 0 CEAERO c1nc(CC[NH2+][C@H]2CCCN(Cc3ccccc3)C2)c[nH]1 ZINC000087537852 179442606 /nfs/dbraw/zinc/44/26/06/179442606.db2.gz CNXHGRQHIDEPOS-KRWDZBQOSA-N 1 0 284.407 2.206 10 0 CEAERO CCC[NH2+][C@](C)(CCO)Cc1ccccc1OC ZINC000087563762 179446942 /nfs/dbraw/zinc/44/69/42/179446942.db2.gz PUHHZRLTPNPAHB-OAHLLOKOSA-N 1 0 251.370 2.378 10 0 CEAERO [NH3+]CCN1CCCC[C@H](c2cccc3ccnnc32)C1 ZINC000616627544 348539426 /nfs/dbraw/zinc/53/94/26/348539426.db2.gz KJLHQAURVCGCHJ-AWEZNQCLSA-N 1 0 270.380 2.158 10 0 CEAERO CC(C)(C)OC(=O)NCC[C@H]1COCC[N@@H+]1C(C)(C)C ZINC000616638712 348543145 /nfs/dbraw/zinc/54/31/45/348543145.db2.gz ZWGAVBALDMQLCS-LBPRGKRZSA-N 1 0 286.416 2.401 10 0 CEAERO CC(C)(C)[N@@H+]1CCOC[C@@H](c2ccc(CCO)cc2)C1 ZINC000616660035 348552064 /nfs/dbraw/zinc/55/20/64/348552064.db2.gz JTIPISRBPXMZGO-INIZCTEOSA-N 1 0 277.408 2.436 10 0 CEAERO Cc1nn([C@H]2CC[C@@H]2C[NH3+])c(C)c1Br ZINC000087923532 179523711 /nfs/dbraw/zinc/52/37/11/179523711.db2.gz XJSPHLBAFZZBRV-BDAKNGLRSA-N 1 0 258.163 2.172 10 0 CEAERO c1ccc(C[N@@H+]2CCCO[C@@H](c3ncccn3)C2)cc1 ZINC000616651005 348548047 /nfs/dbraw/zinc/54/80/47/348548047.db2.gz IFXSZFSMOAGXIO-OAHLLOKOSA-N 1 0 269.348 2.440 10 0 CEAERO C[C@@H]([NH2+]CCCn1cnc2ccccc21)C(C)(C)O ZINC000087817390 179492432 /nfs/dbraw/zinc/49/24/32/179492432.db2.gz SLOYIMNUUUTDOY-GFCCVEGCSA-N 1 0 261.369 2.175 10 0 CEAERO CC[N@@H+]1CCCO[C@@H](c2cnnc3ccccc32)C1 ZINC000616653301 348549206 /nfs/dbraw/zinc/54/92/06/348549206.db2.gz LLNZLKVFQOOYHJ-OAHLLOKOSA-N 1 0 257.337 2.413 10 0 CEAERO CC[NH2+][C@H](c1ccc(F)c(F)c1F)[C@@H]1COCCO1 ZINC000087858147 179503149 /nfs/dbraw/zinc/50/31/49/179503149.db2.gz RIYVVPHCYUFTSB-GXFFZTMASA-N 1 0 275.270 2.170 10 0 CEAERO CCC[NH2+][C@@H](Cc1cccs1)[C@@H]1COCCO1 ZINC000087858394 179503202 /nfs/dbraw/zinc/50/32/02/179503202.db2.gz KZDNANIGJNVSQL-STQMWFEESA-N 1 0 255.383 2.074 10 0 CEAERO COC(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)CC[NH2+]C1 ZINC000616574733 348524869 /nfs/dbraw/zinc/52/48/69/348524869.db2.gz XBYLLSXBKXWFPO-LBPRGKRZSA-N 1 0 274.147 2.398 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1coc(C2CCC2)n1 ZINC000248751786 539647468 /nfs/dbraw/zinc/64/74/68/539647468.db2.gz HASSGJFRORHGTE-YPMHNXCESA-N 1 0 289.379 2.251 10 0 CEAERO CC(C)[N@@H+]1CCOC[C@@H](c2cc3ccccc3nn2)C1 ZINC000616596847 348529118 /nfs/dbraw/zinc/52/91/18/348529118.db2.gz CTFIDUFJAZWYMS-AWEZNQCLSA-N 1 0 271.364 2.454 10 0 CEAERO [NH3+]CCN1CCOCC[C@H]1c1ccc(Cl)cc1 ZINC000616599079 348529929 /nfs/dbraw/zinc/52/99/29/348529929.db2.gz WTBGYGRFYJWUKL-ZDUSSCGKSA-N 1 0 254.761 2.062 10 0 CEAERO CC[C@H](Nc1nc(NN)[nH+]cc1C)c1nccs1 ZINC000087881350 179509160 /nfs/dbraw/zinc/50/91/60/179509160.db2.gz XMECQSJZPQRRJM-QMMMGPOBSA-N 1 0 264.358 2.090 10 0 CEAERO [NH3+]CCN1CCCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000616599176 348530380 /nfs/dbraw/zinc/53/03/80/348530380.db2.gz REMYRJKWLYPAPU-CYBMUJFWSA-N 1 0 254.761 2.062 10 0 CEAERO Cc1c[nH+]c(NN)nc1Oc1ccc(F)cc1F ZINC000087881091 179509404 /nfs/dbraw/zinc/50/94/04/179509404.db2.gz JJNZDJTXRSAGTL-UHFFFAOYSA-N 1 0 252.224 2.141 10 0 CEAERO Cc1ccc(C[C@H](C)Nc2cc(NN)[nH+]cn2)s1 ZINC000087881299 179509499 /nfs/dbraw/zinc/50/94/99/179509499.db2.gz OKTULRMGWDDGFR-QMMMGPOBSA-N 1 0 263.370 2.175 10 0 CEAERO CC(C)[N@@H+]1CCOC[C@H]1CCNC(=O)OC(C)(C)C ZINC000616600873 348530828 /nfs/dbraw/zinc/53/08/28/348530828.db2.gz JMQQBBQMJAWJFI-GFCCVEGCSA-N 1 0 272.389 2.010 10 0 CEAERO CC(=O)Nc1ccccc1[C@@H]1C[N@@H+](C(C)(C)C)CCN1 ZINC000616600823 348531112 /nfs/dbraw/zinc/53/11/12/348531112.db2.gz BXONTSHUKVTQQW-HNNXBMFYSA-N 1 0 275.396 2.390 10 0 CEAERO c1ccc(CN2CCOCC[C@@H]2c2ccnnc2)cc1 ZINC000616659391 348551088 /nfs/dbraw/zinc/55/10/88/348551088.db2.gz QLQLDXQRIZBRLW-MRXNPFEDSA-N 1 0 269.348 2.440 10 0 CEAERO CCOC(=O)N1CC[NH2+]C[C@H]1c1cncc2ccccc21 ZINC000616605128 348532755 /nfs/dbraw/zinc/53/27/55/348532755.db2.gz SYDQNGCIIFUARM-HNNXBMFYSA-N 1 0 285.347 2.338 10 0 CEAERO NNc1nc(NCC(C2CC2)C2CC2)c(Cl)c[nH+]1 ZINC000087889449 179513008 /nfs/dbraw/zinc/51/30/08/179513008.db2.gz WHBFIWVGMHIXAK-UHFFFAOYSA-N 1 0 267.764 2.264 10 0 CEAERO OCC[N@@H+]1CCC[C@H](c2cccc3cnccc32)C1 ZINC000616617959 348535627 /nfs/dbraw/zinc/53/56/27/348535627.db2.gz NTIMEONLNQWFPG-AWEZNQCLSA-N 1 0 256.349 2.407 10 0 CEAERO Cc1c[nH+]c(NN)nc1OC1C[C@H](C)C[C@@H](C)C1 ZINC000087890870 179514330 /nfs/dbraw/zinc/51/43/30/179514330.db2.gz ACITZAIOLVOWJN-RKDXNWHRSA-N 1 0 250.346 2.274 10 0 CEAERO C[C@@H]([NH3+])Cc1cnc([C@@H]2CCc3ccccc32)nc1 ZINC000088040617 179537991 /nfs/dbraw/zinc/53/79/91/179537991.db2.gz DHGKFJYHGQKHDS-IAQYHMDHSA-N 1 0 253.349 2.444 10 0 CEAERO C[C@@H]1CN(CCSc2ccccc2F)CC[NH2+]1 ZINC000088060491 179543310 /nfs/dbraw/zinc/54/33/10/179543310.db2.gz GXHSTNVJTVCLIT-LLVKDONJSA-N 1 0 254.374 2.212 10 0 CEAERO [NH3+]CCC[S@](=O)Cc1cc(Br)ccc1F ZINC000088066850 179544087 /nfs/dbraw/zinc/54/40/87/179544087.db2.gz IVOVVJWEXLOJHQ-OAHLLOKOSA-N 1 0 294.189 2.186 10 0 CEAERO CC[C@@H]([NH3+])C[S@](=O)CCSc1ccccc1 ZINC000088072585 179544578 /nfs/dbraw/zinc/54/45/78/179544578.db2.gz LOUNCOWFWSCWPP-BZNIZROVSA-N 1 0 257.424 2.265 10 0 CEAERO C[C@@H](CC[NH3+])[S@](=O)Cc1cccc(Br)c1 ZINC000088087712 179546718 /nfs/dbraw/zinc/54/67/18/179546718.db2.gz HQIZJLYXHXLNIM-VFZGTOFNSA-N 1 0 290.226 2.435 10 0 CEAERO C[C@H](C[NH3+])C[S@](=O)CCSc1ccccc1 ZINC000088089139 179546886 /nfs/dbraw/zinc/54/68/86/179546886.db2.gz OPKVPGJTBXFMKJ-BZNIZROVSA-N 1 0 257.424 2.122 10 0 CEAERO C[C@](O)(CCc1ccc2c(c1)CCO2)[C@H]1CCC[NH2+]C1 ZINC000088103332 179549282 /nfs/dbraw/zinc/54/92/82/179549282.db2.gz OWYGUYNSWSFFJB-RDJZCZTQSA-N 1 0 275.392 2.305 10 0 CEAERO C[C@H](c1ccc2c(c1)OCO2)N1CC[NH2+]CC1(C)C ZINC000088138501 179555553 /nfs/dbraw/zinc/55/55/53/179555553.db2.gz AIKFYWUCRQMGCS-LLVKDONJSA-N 1 0 262.353 2.160 10 0 CEAERO CCOC(=O)[C@@H](C)Oc1cccc2c1CCC[C@H]2[NH3+] ZINC000088151226 179557930 /nfs/dbraw/zinc/55/79/30/179557930.db2.gz QOGVJNJNOKMCCT-ZWNOBZJWSA-N 1 0 263.337 2.353 10 0 CEAERO CC[N@@H+]1CCOC[C@@H](c2cccc3ccnnc32)C1 ZINC000616661962 348552902 /nfs/dbraw/zinc/55/29/02/348552902.db2.gz WVHJKKTWMXGUTP-ZDUSSCGKSA-N 1 0 257.337 2.066 10 0 CEAERO c1nc([C@@H]2CC[N@H+](Cc3ccccc3)CCO2)c[nH]1 ZINC000616662895 348553903 /nfs/dbraw/zinc/55/39/03/348553903.db2.gz DKAUNPOSKHXOSG-HNNXBMFYSA-N 1 0 257.337 2.373 10 0 CEAERO Nc1ccccc1[C@@H]1Cc2ccccc2N(CC[NH3+])C1 ZINC000616670949 348555862 /nfs/dbraw/zinc/55/58/62/348555862.db2.gz CBJOUJHVPGWIFR-CQSZACIVSA-N 1 0 267.376 2.374 10 0 CEAERO C[C@]1(c2nc([C@H]3COc4ccccc4C3)no2)CC[NH2+]C1 ZINC000087996332 179532501 /nfs/dbraw/zinc/53/25/01/179532501.db2.gz QSBVRSFLNCLQNY-WBMJQRKESA-N 1 0 285.347 2.039 10 0 CEAERO COc1ccccc1OCC[N@H+](CCC(N)=S)C(C)C ZINC000088401978 179593952 /nfs/dbraw/zinc/59/39/52/179593952.db2.gz SRHNGXBJPAVRHL-UHFFFAOYSA-N 1 0 296.436 2.461 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1cnn(C)c1)N(C)CCC(F)(F)F ZINC000088416350 179596580 /nfs/dbraw/zinc/59/65/80/179596580.db2.gz VYCCLFUZZOETAA-WDEREUQCSA-N 1 0 278.322 2.083 10 0 CEAERO CC1(C(=O)Nc2ncccc2Br)CC[NH2+]CC1 ZINC000088447112 179604528 /nfs/dbraw/zinc/60/45/28/179604528.db2.gz BTIXJQCFWUUNLG-UHFFFAOYSA-N 1 0 298.184 2.172 10 0 CEAERO Cc1cccc(CN(C)C(=O)[C@@H]2C[NH2+]C[C@H](C)C2)c1 ZINC000088450110 179605896 /nfs/dbraw/zinc/60/58/96/179605896.db2.gz CJPRMAQENOMLFB-HIFRSBDPSA-N 1 0 260.381 2.199 10 0 CEAERO CC[C@H]([NH3+])[C@@H](N(C)CC1CCOCC1)C(F)(F)F ZINC000104197193 185927036 /nfs/dbraw/zinc/92/70/36/185927036.db2.gz JXXQVOOHHZNEMK-WDEREUQCSA-N 1 0 268.323 2.013 10 0 CEAERO COCc1ccc([C@@H](C[NH3+])N(C)Cc2cccnc2)cc1 ZINC000088568742 179626829 /nfs/dbraw/zinc/62/68/29/179626829.db2.gz RFLRTFVCRPGCGS-QGZVFWFLSA-N 1 0 285.391 2.360 10 0 CEAERO CCC[NH2+][C@H](Cc1ncnn1C)Cc1cccc(F)c1 ZINC000088581859 179629443 /nfs/dbraw/zinc/62/94/43/179629443.db2.gz BMMRMONTFGYPSK-AWEZNQCLSA-N 1 0 276.359 2.108 10 0 CEAERO CC(C)[NH2+]C[C@H](Cc1ncnn1C)Cc1cccc(F)c1 ZINC000088583100 179630177 /nfs/dbraw/zinc/63/01/77/179630177.db2.gz ZLVHNIMKPXOXKY-AWEZNQCLSA-N 1 0 290.386 2.354 10 0 CEAERO CCCC1CCC([C@@H]([NH3+])Cc2ncnn2C)CC1 ZINC000088582436 179630244 /nfs/dbraw/zinc/63/02/44/179630244.db2.gz BHFRFLGONOTKKN-BPCQOVAHSA-N 1 0 250.390 2.291 10 0 CEAERO CCn1ncnc1COc1ccc(C2=CC[NH2+]CC2)cc1 ZINC000088586144 179631462 /nfs/dbraw/zinc/63/14/62/179631462.db2.gz OKAAMKRQJIMBSJ-UHFFFAOYSA-N 1 0 284.363 2.254 10 0 CEAERO CCC[NH2+][C@H](COCCC)Cc1ncnn1C(C)C ZINC000088611335 179638631 /nfs/dbraw/zinc/63/86/31/179638631.db2.gz BLLLOJICECDDNP-ZDUSSCGKSA-N 1 0 268.405 2.196 10 0 CEAERO CCCn1ncnc1Cn1cc(C[NH2+]C(C)(C)C)c(C)n1 ZINC000088623666 179642048 /nfs/dbraw/zinc/64/20/48/179642048.db2.gz ZBDBEGRUZHISMZ-UHFFFAOYSA-N 1 0 290.415 2.129 10 0 CEAERO CC[C@@H]1C[NH2+][C@@](C)(CC)CN1Cc1ncnn1C(C)C ZINC000088625546 179642395 /nfs/dbraw/zinc/64/23/95/179642395.db2.gz MYUGTKDBKYMEHS-HIFRSBDPSA-N 1 0 279.432 2.212 10 0 CEAERO COc1cccc(C(=O)NCCCC[N@H+](C)C(C)C)c1N ZINC000088652154 179647465 /nfs/dbraw/zinc/64/74/65/179647465.db2.gz YZXUJSOSTPHJDD-UHFFFAOYSA-N 1 0 293.411 2.128 10 0 CEAERO C[C@@H]1CC[C@H](C)CN1c1nc2ccccn2c1CC[NH3+] ZINC000088712709 179655909 /nfs/dbraw/zinc/65/59/09/179655909.db2.gz XSCDVDYGTXEGBQ-QWHCGFSZSA-N 1 0 272.396 2.460 10 0 CEAERO CCC[NH2+]CCc1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC000088976356 179688044 /nfs/dbraw/zinc/68/80/44/179688044.db2.gz GQDTYJIQDHISFE-UHFFFAOYSA-N 1 0 298.452 2.306 10 0 CEAERO CC(C)CN(C1CC1)S(=O)(=O)c1cc(C[NH3+])cs1 ZINC000089004358 179691025 /nfs/dbraw/zinc/69/10/25/179691025.db2.gz IQTKDIYBNSPYFM-UHFFFAOYSA-N 1 0 288.438 2.016 10 0 CEAERO COC(=O)[C@@](N)(C[N@@H+]1CCC[C@@H]1C(C)C)c1ccccc1 ZINC000088847368 179681736 /nfs/dbraw/zinc/68/17/36/179681736.db2.gz GDIPBVHKDZHJBF-NVXWUHKLSA-N 1 0 290.407 2.134 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc(Cl)c1F ZINC000104228682 185936895 /nfs/dbraw/zinc/93/68/95/185936895.db2.gz AZMFBTGEDNWBNV-JGVFFNPUSA-N 1 0 256.708 2.273 10 0 CEAERO CN(C(=O)c1ccc(Cl)o1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089110194 179705415 /nfs/dbraw/zinc/70/54/15/179705415.db2.gz PQAQUBRYEHDUDZ-RKDXNWHRSA-N 1 0 256.733 2.132 10 0 CEAERO C[NH+](C)CCCCNc1ccc(F)cc1C(N)=S ZINC000104251951 185944336 /nfs/dbraw/zinc/94/43/36/185944336.db2.gz DJSAKKXBELOFQG-UHFFFAOYSA-N 1 0 269.389 2.214 10 0 CEAERO CC[NH2+]CCCCS(=O)(=O)N1CCC[C@@H](CC)CC1 ZINC000089047207 179693590 /nfs/dbraw/zinc/69/35/90/179693590.db2.gz YBOWUFYKWWHDDA-CQSZACIVSA-N 1 0 290.473 2.218 10 0 CEAERO CC(C)c1nnsc1C(=O)N(C)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089132057 179713617 /nfs/dbraw/zinc/71/36/17/179713617.db2.gz SAFHNGUTLNTHRV-GHMZBOCLSA-N 1 0 296.440 2.251 10 0 CEAERO COc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000089131920 179713751 /nfs/dbraw/zinc/71/37/51/179713751.db2.gz MJURPFAUYIUSHH-ZFWWWQNUSA-N 1 0 276.380 2.285 10 0 CEAERO C[C@H]([NH3+])Cc1cc2ccccc2nc1-n1ccnc1 ZINC000104263882 185948245 /nfs/dbraw/zinc/94/82/45/185948245.db2.gz RLJFATKKJUMNSN-NSHDSACASA-N 1 0 252.321 2.310 10 0 CEAERO C[NH2+][C@H](Cc1nn(C)c2ccccc12)C1CCOCC1 ZINC000089178148 179743221 /nfs/dbraw/zinc/74/32/21/179743221.db2.gz FHZXSAQMENPLCX-CQSZACIVSA-N 1 0 273.380 2.130 10 0 CEAERO Cc1ccc(C(=O)N[C@@]2(C[NH3+])CCC[C@H](C)C2)cn1 ZINC000104305079 185960468 /nfs/dbraw/zinc/96/04/68/185960468.db2.gz MRZFRBRTRQBMQN-NHYWBVRUSA-N 1 0 261.369 2.027 10 0 CEAERO Cc1nn(C)c(C[C@@H]([NH3+])COc2ccccc2)c1Cl ZINC000089251334 179760706 /nfs/dbraw/zinc/76/07/06/179760706.db2.gz ZGPVCAMHBCRUSE-LLVKDONJSA-N 1 0 279.771 2.331 10 0 CEAERO COCC[NH2+]C[C@@H](Cc1c(Cl)c(C)nn1C)C(C)C ZINC000089255765 179761238 /nfs/dbraw/zinc/76/12/38/179761238.db2.gz ADMJDVVOXINHHM-GFCCVEGCSA-N 1 0 287.835 2.433 10 0 CEAERO Cc1nc(Cn2nccc2C[NH2+]CC(C)C)cs1 ZINC000089257012 179761439 /nfs/dbraw/zinc/76/14/39/179761439.db2.gz APSCKCHOCLAUJG-UHFFFAOYSA-N 1 0 264.398 2.442 10 0 CEAERO CCCSC[C@@H](Cc1cc(C)nn1C)[NH2+]CC ZINC000089198693 179751670 /nfs/dbraw/zinc/75/16/70/179751670.db2.gz ZAXCRJOGOVKVLV-GFCCVEGCSA-N 1 0 255.431 2.392 10 0 CEAERO COc1ccc(OC)c(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089449140 539716265 /nfs/dbraw/zinc/71/62/65/539716265.db2.gz YODKDMWTRSXCJN-PWSUYJOCSA-N 1 0 278.352 2.017 10 0 CEAERO CCOc1cccc(CC[NH3+])c1OCc1cc(C)nn1C ZINC000089201992 179753038 /nfs/dbraw/zinc/75/30/38/179753038.db2.gz CTHLLBPEPLZHOK-UHFFFAOYSA-N 1 0 289.379 2.207 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCCC1CCCCC1 ZINC000089454486 539717179 /nfs/dbraw/zinc/71/71/79/539717179.db2.gz UTOXBXIHYDGWAJ-UONOGXRCSA-N 1 0 252.402 2.448 10 0 CEAERO C[C@H]([NH2+][C@H]1CCCOC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400346927 233176072 /nfs/dbraw/zinc/17/60/72/233176072.db2.gz KUDMXXMFUIHDMG-IHRRRGAJSA-N 1 0 298.427 2.401 10 0 CEAERO CC[NH2+][C@@H](Cc1c(Cl)c(CC)nn1C)[C@@H]1CCOC1 ZINC000089329090 179770087 /nfs/dbraw/zinc/77/00/87/179770087.db2.gz JAQUXEHEKOABEH-PWSUYJOCSA-N 1 0 285.819 2.193 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1C(=O)NCCc1ccccc1 ZINC000089386359 179777818 /nfs/dbraw/zinc/77/78/18/179777818.db2.gz KFOPQAHCGIBCQU-LSDHHAIUSA-N 1 0 260.381 2.110 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1cccc(-n2cccn2)c1 ZINC000089451463 179792217 /nfs/dbraw/zinc/79/22/17/179792217.db2.gz QGELNDWGZKCGQM-WFASDCNBSA-N 1 0 284.363 2.186 10 0 CEAERO Cc1nn(C(C)C)c(C)c1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089455079 179794356 /nfs/dbraw/zinc/79/43/56/179794356.db2.gz DMSZYNFEDVYPPZ-CHWSQXEVSA-N 1 0 278.400 2.394 10 0 CEAERO CCOC(=O)c1ccccc1NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089459767 179795263 /nfs/dbraw/zinc/79/52/63/179795263.db2.gz SHXAFIMVIISIKC-RYUDHWBXSA-N 1 0 290.363 2.177 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000089460970 179795705 /nfs/dbraw/zinc/79/57/05/179795705.db2.gz JVNQQAIXQXFOII-APIJFGDWSA-N 1 0 258.365 2.034 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1CNC(=O)Cc1ccc(F)cc1 ZINC000089531033 179811199 /nfs/dbraw/zinc/81/11/99/179811199.db2.gz XHXQHRPRKYVFCZ-UONOGXRCSA-N 1 0 278.371 2.250 10 0 CEAERO COc1cccc(F)c1C(=O)NC[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089530949 179811234 /nfs/dbraw/zinc/81/12/34/179811234.db2.gz KSKYYUJEXUXDDY-NEPJUHHUSA-N 1 0 294.370 2.329 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@H]1CNC(=O)Cc1ccccc1 ZINC000089531870 179811348 /nfs/dbraw/zinc/81/13/48/179811348.db2.gz BTAPXCGLDCQGEF-CABCVRRESA-N 1 0 260.381 2.110 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1COc1ncnc2c1CCC2 ZINC000089537928 179813289 /nfs/dbraw/zinc/81/32/89/179813289.db2.gz RKAUYVCLGZBUSU-NWDGAFQWSA-N 1 0 261.369 2.109 10 0 CEAERO [NH3+]CCC[C@@H]1CCCN1c1ncnc2ccsc21 ZINC000104326034 185969735 /nfs/dbraw/zinc/96/97/35/185969735.db2.gz QLQSGXYHDYAXTH-SNVBAGLBSA-N 1 0 262.382 2.399 10 0 CEAERO O=c1[nH]c([NH2+]C[C@H]2CCC[C@@H]2CO)cc2ccccc21 ZINC000089497704 179804176 /nfs/dbraw/zinc/80/41/76/179804176.db2.gz JPBVLXBQYAXAEW-CHWSQXEVSA-N 1 0 272.348 2.349 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1CNC(=O)C1CCCCCC1 ZINC000089500657 179804840 /nfs/dbraw/zinc/80/48/40/179804840.db2.gz RAXFYTOCLBRRJX-UONOGXRCSA-N 1 0 252.402 2.448 10 0 CEAERO Cc1ccc(CCC(=O)NC[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089500224 179805070 /nfs/dbraw/zinc/80/50/70/179805070.db2.gz SIVGUOUJRRTUQU-HOTGVXAUSA-N 1 0 274.408 2.419 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1CNC(=O)CCC1CCCC1 ZINC000089500829 179805468 /nfs/dbraw/zinc/80/54/68/179805468.db2.gz JLFXVUGASOAZQG-UONOGXRCSA-N 1 0 252.402 2.448 10 0 CEAERO CCCc1nsc(NC[C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000089501280 179805549 /nfs/dbraw/zinc/80/55/49/179805549.db2.gz JNRWFDHCWZOCEJ-ZJUUUORDSA-N 1 0 254.403 2.278 10 0 CEAERO COc1cccc([C@H](C[NH3+])Sc2cnccn2)c1 ZINC000104351223 185978868 /nfs/dbraw/zinc/97/88/68/185978868.db2.gz SNLRNOWORPYKCR-LBPRGKRZSA-N 1 0 261.350 2.277 10 0 CEAERO C[C@H](NC(=O)C[C@@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000089746459 179858441 /nfs/dbraw/zinc/85/84/41/179858441.db2.gz QYAQZZQXAHFVIX-QWRGUYRKSA-N 1 0 250.317 2.003 10 0 CEAERO C[C@@H]1CCC[C@@](CO)(C[N@H+](CCO)C2CCCC2)C1 ZINC000089630442 179832823 /nfs/dbraw/zinc/83/28/23/179832823.db2.gz JTQBZSCWMAQEOR-ZBFHGGJFSA-N 1 0 269.429 2.412 10 0 CEAERO COc1cccc([C@@H]2C[NH2+]C[C@@H]2NC(=O)OC(C)(C)C)c1 ZINC000068575224 362945131 /nfs/dbraw/zinc/94/51/31/362945131.db2.gz HTRFINCTPOSBHF-KBPBESRZSA-N 1 0 292.379 2.275 10 0 CEAERO CC(C)C[C@](C)(O)CNC(=O)CC[C@H](CC[NH3+])C(C)C ZINC000090272550 179944826 /nfs/dbraw/zinc/94/48/26/179944826.db2.gz RODWBGAIIHQRJH-ZBFHGGJFSA-N 1 0 286.460 2.301 10 0 CEAERO CN1CCO[C@H](C[NH2+]Cc2csc(C(F)(F)F)c2)C1 ZINC000623404974 350010716 /nfs/dbraw/zinc/01/07/16/350010716.db2.gz SHCQVUSOQXKRRI-SNVBAGLBSA-N 1 0 294.342 2.187 10 0 CEAERO CC[C@@H](C)[C@H](C(=O)N(C)C1C[NH2+]C1)c1ccccc1 ZINC000090289735 179949643 /nfs/dbraw/zinc/94/96/43/179949643.db2.gz XAIPEJIZZKZKNL-DOMZBBRYSA-N 1 0 260.381 2.247 10 0 CEAERO CC(C)C[NH2+]Cc1cncn1C[C@@H]1CCCOC1 ZINC000090241839 179939403 /nfs/dbraw/zinc/93/94/03/179939403.db2.gz MCGWOKKLJVQFAV-ZDUSSCGKSA-N 1 0 251.374 2.055 10 0 CEAERO Cc1cc(Cl)c(CN2C[C@H]3C[NH2+]C[C@H]3C2)c(Cl)n1 ZINC000090322414 179958578 /nfs/dbraw/zinc/95/85/78/179958578.db2.gz NRASGCBSXJFPFW-AOOOYVTPSA-N 1 0 286.206 2.348 10 0 CEAERO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1Cc1ncc(C(C)(C)C)o1 ZINC000090326762 179958880 /nfs/dbraw/zinc/95/88/80/179958880.db2.gz WECUPKXZMAVUJE-IJLUTSLNSA-N 1 0 263.385 2.012 10 0 CEAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)CC1CCCC1 ZINC000090331238 179962223 /nfs/dbraw/zinc/96/22/23/179962223.db2.gz KDGYMRPHPBRRRV-MGPQQGTHSA-N 1 0 250.386 2.023 10 0 CEAERO Cc1ccc(C)c(CC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2(C)C)c1 ZINC000090336238 179965053 /nfs/dbraw/zinc/96/50/53/179965053.db2.gz WSORVWNZPPHXEG-HZPDHXFCSA-N 1 0 286.419 2.302 10 0 CEAERO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1C(=O)c1ccccc1Cl ZINC000090335705 179965058 /nfs/dbraw/zinc/96/50/58/179965058.db2.gz DEZGFCDOGCLCKL-CMPLNLGQSA-N 1 0 278.783 2.410 10 0 CEAERO CCN(C(=O)CSC[C@H](C)[NH3+])c1ccccc1 ZINC000090344027 179969544 /nfs/dbraw/zinc/96/95/44/179969544.db2.gz HFASHWHSPYFEAH-NSHDSACASA-N 1 0 252.383 2.120 10 0 CEAERO C[C@@H]([NH3+])CCSCC(=O)Nc1ccc(F)cc1 ZINC000090346191 179970538 /nfs/dbraw/zinc/97/05/38/179970538.db2.gz ZITSJMNXCZHAON-SECBINFHSA-N 1 0 256.346 2.235 10 0 CEAERO COC(=O)c1cc(CSCC[C@@H](C)[NH3+])oc1C ZINC000090346726 179970664 /nfs/dbraw/zinc/97/06/64/179970664.db2.gz ZNHYXHVATAVYNG-MRVPVSSYSA-N 1 0 257.355 2.345 10 0 CEAERO CC[NH2+][C@@](C)(CCCOCCC(C)(C)C)C(N)=O ZINC000090350252 179972262 /nfs/dbraw/zinc/97/22/62/179972262.db2.gz HJMWZEKZLDGSFD-AWEZNQCLSA-N 1 0 258.406 2.073 10 0 CEAERO C[C@H](CC[NH3+])SCC(=O)N1CCc2ccccc21 ZINC000090354629 179973353 /nfs/dbraw/zinc/97/33/53/179973353.db2.gz VNBFBZVHPNGVFI-LLVKDONJSA-N 1 0 264.394 2.046 10 0 CEAERO CC[C@H]([NH3+])CSCC(=O)N[C@H](C)c1cccs1 ZINC000090356564 179974934 /nfs/dbraw/zinc/97/49/34/179974934.db2.gz UXOHUWLZDUFUOL-ZJUUUORDSA-N 1 0 272.439 2.396 10 0 CEAERO [NH3+][C@H]1COC[C@H]1c1nc2cccc(Cl)c2n1C1CC1 ZINC000090363835 179977760 /nfs/dbraw/zinc/97/77/60/179977760.db2.gz LJHVCTLFOLIRNO-KOLCDFICSA-N 1 0 277.755 2.466 10 0 CEAERO CC[NH2+][C@@H]1COC[C@@H]1c1nc2c(cccc2Cl)[nH]1 ZINC000090472621 179989135 /nfs/dbraw/zinc/98/91/35/179989135.db2.gz CFHVYBLNCNFCQD-GZMMTYOYSA-N 1 0 265.744 2.308 10 0 CEAERO O[C@H]1COCC[C@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000623765092 350106274 /nfs/dbraw/zinc/10/62/74/350106274.db2.gz NPZYCSYXQZWLEL-CVEARBPZSA-N 1 0 257.333 2.079 10 0 CEAERO CC[NH2+][C@@H]1COC[C@H]1CN(C)c1ccc(C)cc1C ZINC000090494653 179992733 /nfs/dbraw/zinc/99/27/33/179992733.db2.gz HQYGYEFCLMJHQE-HUUCEWRRSA-N 1 0 262.397 2.364 10 0 CEAERO c1ccc(-c2noc(CSCC3C[NH2+]C3)n2)cc1 ZINC000090712504 180028436 /nfs/dbraw/zinc/02/84/36/180028436.db2.gz JQNSROXUZRRVCS-UHFFFAOYSA-N 1 0 261.350 2.189 10 0 CEAERO CCCCCC[C@H](C)NC(=O)[C@@H]1COC[C@@H]1[NH2+]CCC ZINC000090541258 180000207 /nfs/dbraw/zinc/00/02/07/180000207.db2.gz UKHHRJCRTPDGJH-ZNMIVQPWSA-N 1 0 284.444 2.476 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)N(C)C1CCCCCC1 ZINC000090540663 180000468 /nfs/dbraw/zinc/00/04/68/180000468.db2.gz JHBQTPGDHAJURK-HUUCEWRRSA-N 1 0 282.428 2.182 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000090538871 180000526 /nfs/dbraw/zinc/00/05/26/180000526.db2.gz KRLCXWRGEQXLAI-QWHCGFSZSA-N 1 0 282.771 2.293 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N1CCCC(C)(C)CC1 ZINC000090546381 180001066 /nfs/dbraw/zinc/00/10/66/180001066.db2.gz ZPPFQEBALZNOMO-UONOGXRCSA-N 1 0 282.428 2.040 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1CN1CCc2sccc2C1 ZINC000090565982 180005937 /nfs/dbraw/zinc/00/59/37/180005937.db2.gz KNNRRQPQPIUVFN-KBPBESRZSA-N 1 0 280.437 2.121 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1CN(C)c1ccccc1C ZINC000090566716 180006707 /nfs/dbraw/zinc/00/67/07/180006707.db2.gz OJCSTEAHZRNKSK-HUUCEWRRSA-N 1 0 262.397 2.446 10 0 CEAERO CCCn1c2ccc(F)cc2nc1[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090571721 180007876 /nfs/dbraw/zinc/00/78/76/180007876.db2.gz WBAJJIFLDQECMO-ZFWWWQNUSA-N 1 0 277.343 2.201 10 0 CEAERO CC(C)c1ccccc1NC(=O)[C@]1(C)COC[C@H]1[NH3+] ZINC000090580477 180008426 /nfs/dbraw/zinc/00/84/26/180008426.db2.gz DFMNRKDJTAAQSI-UKRRQHHQSA-N 1 0 262.353 2.112 10 0 CEAERO CC(C)CCN(CCC(C)C)C(=O)[C@]1(C)COC[C@@H]1[NH3+] ZINC000090591425 180010130 /nfs/dbraw/zinc/01/01/30/180010130.db2.gz AJTAXNBCDGIFKK-GOEBONIOSA-N 1 0 284.444 2.271 10 0 CEAERO CCCCN(C(=O)[C@]1(C)COC[C@@H]1[NH3+])c1ccccc1 ZINC000090605517 180011301 /nfs/dbraw/zinc/01/13/01/180011301.db2.gz FOONSCUUOZIMJH-GOEBONIOSA-N 1 0 276.380 2.184 10 0 CEAERO CCC1CCC([N@H+](C)C[C@]2(C)COC[C@@H]2N)CC1 ZINC000090606833 180011318 /nfs/dbraw/zinc/01/13/18/180011318.db2.gz BWKDKCVTJUIXGZ-PFSRBDOWSA-N 1 0 254.418 2.251 10 0 CEAERO C[NH2+][C@H]1CCN(CCOC2CCCCC2)[C@H](C)C1 ZINC000104437963 186002236 /nfs/dbraw/zinc/00/22/36/186002236.db2.gz KBQPWKWTXDDUIZ-KGLIPLIRSA-N 1 0 254.418 2.408 10 0 CEAERO COC(C[C@@H](C[NH3+])N(C)c1ccc(C)cc1C)OC ZINC000090625272 180015414 /nfs/dbraw/zinc/01/54/14/180015414.db2.gz BBONPZARQXBZGZ-ZDUSSCGKSA-N 1 0 266.385 2.076 10 0 CEAERO C[C@@H](O[C@@H](C)C(F)(F)F)C(=O)Nc1cccc(C[NH3+])c1 ZINC000090671957 180021011 /nfs/dbraw/zinc/02/10/11/180021011.db2.gz CNNUYODNEGPQOK-BDAKNGLRSA-N 1 0 290.285 2.440 10 0 CEAERO CC(C)[NH2+]Cc1ccc(O[C@@H](C)C(F)(F)F)nn1 ZINC000090675364 180022365 /nfs/dbraw/zinc/02/23/65/180022365.db2.gz PSYPZEQQMUJVAZ-QMMMGPOBSA-N 1 0 263.263 2.304 10 0 CEAERO CCC[NH2+][C@@](C)(CO)CCO[C@@H](C)C(F)(F)F ZINC000090676007 180022536 /nfs/dbraw/zinc/02/25/36/180022536.db2.gz RIYCYDHQGXJQTP-VHSXEESVSA-N 1 0 257.296 2.095 10 0 CEAERO CC(C)[NH2+][C@](CO)(CO[C@H](C)C(F)(F)F)C1CC1 ZINC000090676033 180022595 /nfs/dbraw/zinc/02/25/95/180022595.db2.gz NULCCLKCJIIINY-MWLCHTKSSA-N 1 0 269.307 2.093 10 0 CEAERO CC[NH+](CC)C[C@H](C)Nc1ccnc(C(=O)OC)c1 ZINC000090737926 180034069 /nfs/dbraw/zinc/03/40/69/180034069.db2.gz HQVCAXNOHXUVBN-NSHDSACASA-N 1 0 265.357 2.010 10 0 CEAERO COC(=O)c1cc(N[C@H](CC(C)C)C[NH+](C)C)ccn1 ZINC000090737753 180034388 /nfs/dbraw/zinc/03/43/88/180034388.db2.gz LWRJPACCUUOXOH-CYBMUJFWSA-N 1 0 279.384 2.256 10 0 CEAERO CCCOc1cc(N2CCC[C@H]2C[NH2+]CC(C)C)ncn1 ZINC000090785455 180040234 /nfs/dbraw/zinc/04/02/34/180040234.db2.gz RESKTXQBQULETH-AWEZNQCLSA-N 1 0 292.427 2.480 10 0 CEAERO CC(C)Oc1cc(N[C@H](C)[C@@H]2CCC[NH2+]C2)ncn1 ZINC000090786067 180040307 /nfs/dbraw/zinc/04/03/07/180040307.db2.gz DIIBZPUEUZUJQK-VXGBXAGGSA-N 1 0 264.373 2.064 10 0 CEAERO COc1cc(N2CCC[C@@H]2C[NH2+]C(C)(C)C)nc(C)n1 ZINC000090787290 180040909 /nfs/dbraw/zinc/04/09/09/180040909.db2.gz YRJHEZOZLCADOB-GFCCVEGCSA-N 1 0 278.400 2.151 10 0 CEAERO COc1ncnc(N(CCC[NH3+])C2CCCCC2)c1C ZINC000090788680 180041139 /nfs/dbraw/zinc/04/11/39/180041139.db2.gz QSCRLLSHLQIIDJ-UHFFFAOYSA-N 1 0 278.400 2.282 10 0 CEAERO CCOc1ncnc(OC[C@@H]2CCCC[C@H]2C[NH3+])c1C ZINC000090789859 180041811 /nfs/dbraw/zinc/04/18/11/180041811.db2.gz WTCLUCRGFKEACH-STQMWFEESA-N 1 0 279.384 2.328 10 0 CEAERO CCOc1ncnc(O[C@H]2CCCC[C@@H]2C[NH3+])c1C ZINC000090789854 180041841 /nfs/dbraw/zinc/04/18/41/180041841.db2.gz SQOSNFOACQUCNL-NEPJUHHUSA-N 1 0 265.357 2.080 10 0 CEAERO CCOc1ncnc(OC[C@@H]2CCCC[C@@H]2C[NH3+])c1C ZINC000090789857 180042083 /nfs/dbraw/zinc/04/20/83/180042083.db2.gz WTCLUCRGFKEACH-OLZOCXBDSA-N 1 0 279.384 2.328 10 0 CEAERO CCOc1ncnc(N[C@H]2CCCC[C@H]2C[NH3+])c1C ZINC000090789714 180042290 /nfs/dbraw/zinc/04/22/90/180042290.db2.gz PGMQHZQFSZGNIE-RYUDHWBXSA-N 1 0 264.373 2.113 10 0 CEAERO CC[NH2+][C@@H]1C[C@@H](Oc2cccc(S(C)(=O)=O)c2)C1(C)C ZINC000090862048 180046984 /nfs/dbraw/zinc/04/69/84/180046984.db2.gz NRNFPHSPIJUCAM-ZIAGYGMSSA-N 1 0 297.420 2.246 10 0 CEAERO CCC1(CC)[C@H]([NH3+])C[C@@H]1Oc1ccc(S(C)(=O)=O)cc1 ZINC000090861987 180047096 /nfs/dbraw/zinc/04/70/96/180047096.db2.gz OUEMVTFGNWPLNY-KGLIPLIRSA-N 1 0 297.420 2.375 10 0 CEAERO C[NH2+]Cc1cccc(S[C@H](C)C(=O)NC(C)C)c1 ZINC000090870655 180048958 /nfs/dbraw/zinc/04/89/58/180048958.db2.gz KZTNPOQHKFRUQQ-LLVKDONJSA-N 1 0 266.410 2.411 10 0 CEAERO CCN(CC)C(=O)CSc1cccc(C[NH2+]C)c1 ZINC000090870994 180049121 /nfs/dbraw/zinc/04/91/21/180049121.db2.gz MSWWRXMOJCRUDP-UHFFFAOYSA-N 1 0 266.410 2.367 10 0 CEAERO CCNC(=O)CCSc1cccc(C[NH2+]CC)c1 ZINC000090871115 180049446 /nfs/dbraw/zinc/04/94/46/180049446.db2.gz VGLBMHBOGVCNIT-UHFFFAOYSA-N 1 0 266.410 2.414 10 0 CEAERO CC(C)CNC(=O)CSc1cccc(C[NH3+])c1 ZINC000090870609 180049507 /nfs/dbraw/zinc/04/95/07/180049507.db2.gz VEENEJWYKRCNEH-UHFFFAOYSA-N 1 0 252.383 2.010 10 0 CEAERO CC(C)[NH2+]Cc1cccc(SCCC(N)=O)c1 ZINC000090871754 180049744 /nfs/dbraw/zinc/04/97/44/180049744.db2.gz BNHXIQJTGQMCOE-UHFFFAOYSA-N 1 0 252.383 2.152 10 0 CEAERO CC(C)C[C@](C)(O)C[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000090874814 180051018 /nfs/dbraw/zinc/05/10/18/180051018.db2.gz BDCYUZXYPCAYLB-HOCLYGCPSA-N 1 0 263.381 2.377 10 0 CEAERO CC(C)[N@H+](CCC(N)=S)C[C@@H]1Cc2ccccc2O1 ZINC000090874936 180051100 /nfs/dbraw/zinc/05/11/00/180051100.db2.gz SUHNLOHFLWWMIK-ZDUSSCGKSA-N 1 0 278.421 2.377 10 0 CEAERO OCC[N@@H+](Cc1ccccc1)C[C@H]1Cc2ccccc2O1 ZINC000090876827 180051847 /nfs/dbraw/zinc/05/18/47/180051847.db2.gz YEGSUEUJYDDBHW-QGZVFWFLSA-N 1 0 283.371 2.485 10 0 CEAERO CCC1(CC)C[NH2+]CCN1C[C@@H]1Cc2ccccc2O1 ZINC000090878258 180051960 /nfs/dbraw/zinc/05/19/60/180051960.db2.gz LCLXVMVHMVANNG-HNNXBMFYSA-N 1 0 274.408 2.454 10 0 CEAERO [NH3+]CC1(OC[C@H]2Cc3cc(F)ccc3O2)CCCC1 ZINC000090878966 180052855 /nfs/dbraw/zinc/05/28/55/180052855.db2.gz LJNIMYXCJCEVNS-CYBMUJFWSA-N 1 0 265.328 2.417 10 0 CEAERO O[C@H](C[NH2+]C[C@H]1Cc2cc(F)ccc2O1)c1ccccc1 ZINC000090892135 180053985 /nfs/dbraw/zinc/05/39/85/180053985.db2.gz FACURIIBOPKFBI-HZPDHXFCSA-N 1 0 287.334 2.452 10 0 CEAERO [NH3+]CCN(C[C@@H]1Cc2cc(F)ccc2O1)C1CCCC1 ZINC000090891816 180054084 /nfs/dbraw/zinc/05/40/84/180054084.db2.gz KDPWCZSAHDCXLV-HNNXBMFYSA-N 1 0 278.371 2.333 10 0 CEAERO Cc1cc(C[NH2+]C[C@@H]2Cc3cc(F)ccc3O2)no1 ZINC000090892571 180054630 /nfs/dbraw/zinc/05/46/30/180054630.db2.gz MDOZOCMAVXQRSQ-ZDUSSCGKSA-N 1 0 262.284 2.215 10 0 CEAERO Fc1ccc2c(c1)C[C@@H](COC[C@@H]1CCCC[NH2+]1)O2 ZINC000090893682 180054755 /nfs/dbraw/zinc/05/47/55/180054755.db2.gz UAUFCSSPPIBGQH-KBPBESRZSA-N 1 0 265.328 2.288 10 0 CEAERO CC(=O)C1CC[NH+](C[C@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090893214 180055126 /nfs/dbraw/zinc/05/51/26/180055126.db2.gz RJBDOXDOLNQBJZ-OAHLLOKOSA-N 1 0 277.339 2.430 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[NH2+]C1(CO)CCCC1)O2 ZINC000090897934 180056664 /nfs/dbraw/zinc/05/66/64/180056664.db2.gz MYHAUYUEXZZKEQ-CQSZACIVSA-N 1 0 261.365 2.193 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](C[NH2+]C[C@@H]1CCCCO1)O2 ZINC000090897765 180057531 /nfs/dbraw/zinc/05/75/31/180057531.db2.gz OZODBIMNOAZKIK-GJZGRUSLSA-N 1 0 261.365 2.457 10 0 CEAERO Cc1ccc2c(c1)C[C@H](CSc1nc(N)cc(N)[nH+]1)O2 ZINC000090898809 180057709 /nfs/dbraw/zinc/05/77/09/180057709.db2.gz VXJBIZAOCMHBOB-SNVBAGLBSA-N 1 0 288.376 2.045 10 0 CEAERO CC[C@@]1(C)C[NH2+]CCN1C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090902456 180059772 /nfs/dbraw/zinc/05/97/72/180059772.db2.gz NXRUXERLAREIGG-RDJZCZTQSA-N 1 0 274.408 2.372 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](C[C@@]1(CO)CCC[NH2+]C1)O2 ZINC000090902818 180059896 /nfs/dbraw/zinc/05/98/96/180059896.db2.gz KMEGYWJDTGUPRH-HOCLYGCPSA-N 1 0 261.365 2.051 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C)CN1C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090902471 180059943 /nfs/dbraw/zinc/05/99/43/180059943.db2.gz QCDHVJPBEKTGPB-IMJJTQAJSA-N 1 0 274.408 2.371 10 0 CEAERO O[C@@H](C[NH2+]C[C@@H]1Cc2cc(Cl)ccc2O1)C1CC1 ZINC000090904776 180060089 /nfs/dbraw/zinc/06/00/89/180060089.db2.gz LODIBKNGPGFOSS-STQMWFEESA-N 1 0 267.756 2.004 10 0 CEAERO Clc1ccc2c(c1)C[C@@H](C[NH2+][C@H]1CN3CCC1CC3)O2 ZINC000090903392 180060106 /nfs/dbraw/zinc/06/01/06/180060106.db2.gz ZIEWXBMOEXJKOK-GJZGRUSLSA-N 1 0 292.810 2.327 10 0 CEAERO CC(C)(C)c1nc(N2C[C@H]3CC[C@@H](C2)O3)sc1C[NH3+] ZINC000090908184 180061636 /nfs/dbraw/zinc/06/16/36/180061636.db2.gz QJXIMIJBGKFHPB-AOOOYVTPSA-N 1 0 281.425 2.267 10 0 CEAERO CC(C)(C)[NH2+]Cc1nc(CN2C[C@H]3CC[C@@H](C2)O3)cs1 ZINC000090907968 180061727 /nfs/dbraw/zinc/06/17/27/180061727.db2.gz FEBBZCMALFRTBI-BETUJISGSA-N 1 0 295.452 2.394 10 0 CEAERO CCC[C@@H](C[NH3+])[C@@](C)(O)COCc1ccccc1 ZINC000669377267 539759277 /nfs/dbraw/zinc/75/92/77/539759277.db2.gz LIARZDJFKROLCL-GJZGRUSLSA-N 1 0 251.370 2.329 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+]CCc1nccs1 ZINC000090960689 180075962 /nfs/dbraw/zinc/07/59/62/180075962.db2.gz FNHNLVZUBYUHHI-UHFFFAOYSA-N 1 0 281.406 2.495 10 0 CEAERO CC[NH2+][C@H](C[C@H]1Cc2ccccc21)[C@@H]1COCCO1 ZINC000090980725 180078839 /nfs/dbraw/zinc/07/88/39/180078839.db2.gz ODONFOBDTVTJJV-BMFZPTHFSA-N 1 0 261.365 2.110 10 0 CEAERO CCCN(C(=O)[C@@H]1Cc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000090983542 180080028 /nfs/dbraw/zinc/08/00/28/180080028.db2.gz KOVRISNAPSSQNU-GDBMZVCRSA-N 1 0 272.392 2.317 10 0 CEAERO [NH3+][C@@H](c1ccc2c(c1)C(=O)NCC2)[C@@H]1Cc2ccccc21 ZINC000090984381 180080192 /nfs/dbraw/zinc/08/01/92/180080192.db2.gz JDOJDSGTDOBQCE-SJORKVTESA-N 1 0 278.355 2.312 10 0 CEAERO CCc1noc(Cn2cc(C[NH3+])c3ccccc32)n1 ZINC000090995035 180082800 /nfs/dbraw/zinc/08/28/00/180082800.db2.gz WCXKNJHICKENST-UHFFFAOYSA-N 1 0 256.309 2.094 10 0 CEAERO CC(C)CCNC(=O)Cn1cc(C[NH3+])c2ccccc21 ZINC000090995013 180082850 /nfs/dbraw/zinc/08/28/50/180082850.db2.gz XGVOAKBYWDEQSQ-UHFFFAOYSA-N 1 0 273.380 2.262 10 0 CEAERO C[NH2+]Cc1cccn1CC(=O)Nc1ccccc1C ZINC000090995781 180083010 /nfs/dbraw/zinc/08/30/10/180083010.db2.gz YWWJBXRJDIVHQS-UHFFFAOYSA-N 1 0 257.337 2.155 10 0 CEAERO COCC[NH2+]Cc1cccn1CCC(F)(F)F ZINC000091002007 180084069 /nfs/dbraw/zinc/08/40/69/180084069.db2.gz YYVJXYJZLSRXHW-UHFFFAOYSA-N 1 0 250.264 2.177 10 0 CEAERO CCN(Cc1c[nH]c2ncccc12)[C@@H]1CCC[NH2+]C1 ZINC000091019666 180087806 /nfs/dbraw/zinc/08/78/06/180087806.db2.gz ICVAKHFVVCFAIU-CYBMUJFWSA-N 1 0 258.369 2.137 10 0 CEAERO c1[nH]c2ncccc2c1CN1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000091019483 180088070 /nfs/dbraw/zinc/08/80/70/180088070.db2.gz CXRASQLUTUFOSG-GJZGRUSLSA-N 1 0 270.380 2.279 10 0 CEAERO C[C@@H]([NH3+])Cc1cn(Cc2cccnc2)c2ncccc12 ZINC000091021772 180088903 /nfs/dbraw/zinc/08/89/03/180088903.db2.gz OLRDWZXVWRSKRR-GFCCVEGCSA-N 1 0 266.348 2.369 10 0 CEAERO Cc1ccnc(-c2noc(-c3csc(CC[NH3+])n3)n2)c1 ZINC000090939073 180068370 /nfs/dbraw/zinc/06/83/70/180068370.db2.gz RAIYIFLPFQNOOZ-UHFFFAOYSA-N 1 0 287.348 2.065 10 0 CEAERO c1cnc2c(c1)nc(C[C@H]1CSCC[NH2+]1)n2C1CC1 ZINC000091128715 180100515 /nfs/dbraw/zinc/10/05/15/180100515.db2.gz GWHRSABCVPBNNW-JTQLQIEISA-N 1 0 274.393 2.014 10 0 CEAERO Fc1ccc2oc(C[C@@H]3CSCC[NH2+]3)nc2c1 ZINC000091129353 180101093 /nfs/dbraw/zinc/10/10/93/180101093.db2.gz MRRZNTQACDEIPP-SECBINFHSA-N 1 0 252.314 2.214 10 0 CEAERO COc1ccc([C@@H](C)NC(=O)C2CCC([NH3+])CC2)cc1 ZINC000090310186 539760114 /nfs/dbraw/zinc/76/01/14/539760114.db2.gz AUGWJLCFLYKJKI-LMWSTFAQSA-N 1 0 276.380 2.390 10 0 CEAERO CCCNC(=O)C[C@H](C[NH3+])N1CCC2(CCCCC2)CC1 ZINC000091317509 180133859 /nfs/dbraw/zinc/13/38/59/180133859.db2.gz KTCGGNFNBBWLFF-OAHLLOKOSA-N 1 0 295.471 2.276 10 0 CEAERO CCCC1CCN([C@@H](C[NH3+])CC(=O)N2CCCCC2)CC1 ZINC000091325400 180135164 /nfs/dbraw/zinc/13/51/64/180135164.db2.gz DUZACZGUSMKRJT-MRXNPFEDSA-N 1 0 295.471 2.228 10 0 CEAERO Cc1nc(C[C@@](C[NH3+])(c2ccccc2)[C@H](C)O)cs1 ZINC000091327770 180135944 /nfs/dbraw/zinc/13/59/44/180135944.db2.gz QKWOTDCOFSZIHE-NHYWBVRUSA-N 1 0 276.405 2.272 10 0 CEAERO O=C(NCCc1ccccn1)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000091359138 180140643 /nfs/dbraw/zinc/14/06/43/180140643.db2.gz BLFPYTILJXQMSA-KBMXLJTQSA-N 1 0 287.407 2.051 10 0 CEAERO Cc1cccnc1CNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091361258 180141050 /nfs/dbraw/zinc/14/10/50/180141050.db2.gz MZJOOXDBSUYFMD-KKUMJFAQSA-N 1 0 287.407 2.317 10 0 CEAERO COCCCN(CCOC)C[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091362581 180141560 /nfs/dbraw/zinc/14/15/60/180141560.db2.gz HTRDFESBIZMJAJ-ULQDDVLXSA-N 1 0 298.471 2.282 10 0 CEAERO CC[C@@H]1COCCN1C[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091362337 180141592 /nfs/dbraw/zinc/14/15/92/180141592.db2.gz NZANWNSFQPSNNL-JONQDZQNSA-N 1 0 266.429 2.408 10 0 CEAERO C[C@H](CO)CS[C@H]1CCc2ccccc2[C@@H]1[NH3+] ZINC000091261036 180116074 /nfs/dbraw/zinc/11/60/74/180116074.db2.gz KRWAMQKNNIYZNS-SWHYSGLUSA-N 1 0 251.395 2.363 10 0 CEAERO COc1cccc([C@H]([NH3+])CSC[C@H](C)CO)c1 ZINC000091260675 180116188 /nfs/dbraw/zinc/11/61/88/180116188.db2.gz ZLUNXRTXWRPZPN-ZWNOBZJWSA-N 1 0 255.383 2.057 10 0 CEAERO C[C@@H](CCO)Sc1nc2c(cc1C(N)=[NH2+])CCCC2 ZINC000091263977 180116526 /nfs/dbraw/zinc/11/65/26/180116526.db2.gz VPXFGNLGPDZQOI-VIFPVBQESA-N 1 0 279.409 2.107 10 0 CEAERO CC[NH2+][C@H]1C(=O)Nc2cc(S[C@@H](C)CCO)ccc21 ZINC000091264463 180116542 /nfs/dbraw/zinc/11/65/42/180116542.db2.gz CJGKQXVGPQCWMV-TVQRCGJNSA-N 1 0 280.393 2.152 10 0 CEAERO CC(C)n1cncc1[C@H](O)[C@H]1[NH2+]CCc2ccccc21 ZINC000091273571 180117780 /nfs/dbraw/zinc/11/77/80/180117780.db2.gz XLGPPWHVCDGASN-HOTGVXAUSA-N 1 0 271.364 2.384 10 0 CEAERO CC(C)n1cncc1[C@H]([NH2+]C1CCCCCC1)C(N)=O ZINC000091272619 180118208 /nfs/dbraw/zinc/11/82/08/180118208.db2.gz SMKHEIKXTLENQB-AWEZNQCLSA-N 1 0 278.400 2.303 10 0 CEAERO CCCN(CCC)[C@H](C[NH3+])c1cncn1C1CC1 ZINC000091276189 180118808 /nfs/dbraw/zinc/11/88/08/180118808.db2.gz UVEBAUNTBZMDAL-CYBMUJFWSA-N 1 0 250.390 2.340 10 0 CEAERO CCCCN(CC)[C@H](C[NH3+])c1cncn1C1CC1 ZINC000091276199 180120376 /nfs/dbraw/zinc/12/03/76/180120376.db2.gz JJNIFHXJPXIUAL-CYBMUJFWSA-N 1 0 250.390 2.340 10 0 CEAERO C[C@H](NC(=O)C[C@H]1CSCC[NH2+]1)c1ccsc1 ZINC000091291156 180122710 /nfs/dbraw/zinc/12/27/10/180122710.db2.gz RPWCYJIXAKRKAF-ONGXEEELSA-N 1 0 270.423 2.020 10 0 CEAERO O=C(C[C@@H]1CSCC[NH2+]1)Nc1c(F)cc(F)cc1F ZINC000091291825 180122765 /nfs/dbraw/zinc/12/27/65/180122765.db2.gz GZMXUNHGMAOYQK-MRVPVSSYSA-N 1 0 290.310 2.138 10 0 CEAERO CC(C)n1c(C[C@H]2C[NH2+]CCO2)nc2c1cccc2F ZINC000091293290 180124301 /nfs/dbraw/zinc/12/43/01/180124301.db2.gz KMKCCBQNSQJMMH-NSHDSACASA-N 1 0 277.343 2.287 10 0 CEAERO COc1ccc2ccccc2c1C[NH2+]C1CC(O)C1 ZINC000091432232 180153681 /nfs/dbraw/zinc/15/36/81/180153681.db2.gz SYSIKJPOAXQQFR-UHFFFAOYSA-N 1 0 257.333 2.461 10 0 CEAERO CCCOCCOc1cncc(C[NH2+]CC(C)C)n1 ZINC000091435336 180154131 /nfs/dbraw/zinc/15/41/31/180154131.db2.gz HVRVRBULCXVCDS-UHFFFAOYSA-N 1 0 267.373 2.028 10 0 CEAERO C[C@@H](O)c1ccc(NC(=O)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091433274 180154427 /nfs/dbraw/zinc/15/44/27/180154427.db2.gz CGOFOXOWLFRYIZ-DOMZBBRYSA-N 1 0 291.395 2.298 10 0 CEAERO C[NH2+]Cc1cncc(Oc2cc(F)cc(F)c2)n1 ZINC000091435211 180154517 /nfs/dbraw/zinc/15/45/17/180154517.db2.gz JCSPZQFOHVHYKP-UHFFFAOYSA-N 1 0 251.236 2.267 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1cccs1)N(C)CC1CC(O)C1 ZINC000091451651 180158940 /nfs/dbraw/zinc/15/89/40/180158940.db2.gz NCBDVLFNZWZHNK-CXHDDBMJSA-N 1 0 268.426 2.229 10 0 CEAERO C[N@@H+](Cc1ccc(N)cc1Br)CC1CC(O)C1 ZINC000091461640 180161347 /nfs/dbraw/zinc/16/13/47/180161347.db2.gz LPUCUTDVLDJKIR-UHFFFAOYSA-N 1 0 299.212 2.234 10 0 CEAERO CC[C@@H](N)[C@H](c1ccccc1C)[N@H+](C)CC1CC(O)C1 ZINC000091463321 180162246 /nfs/dbraw/zinc/16/22/46/180162246.db2.gz VTOQRJAUUBRGGB-MMADZMRASA-N 1 0 276.424 2.476 10 0 CEAERO CC[NH2+]CC[C@@](C)(O)Cc1nn(CC)c2ccccc12 ZINC000091464688 180163326 /nfs/dbraw/zinc/16/33/26/180163326.db2.gz NXEFFDYPSIFVNJ-MRXNPFEDSA-N 1 0 275.396 2.349 10 0 CEAERO CC(C)C[NH2+]C[C@@H](O)Cc1ccn(C2CCCC2)n1 ZINC000091466283 180164010 /nfs/dbraw/zinc/16/40/10/180164010.db2.gz PDOMJGSTFVTMDC-HNNXBMFYSA-N 1 0 265.401 2.147 10 0 CEAERO Cc1ccc(CCC(=O)N(C)CC2CC([NH3+])C2)cc1 ZINC000091470847 180164804 /nfs/dbraw/zinc/16/48/04/180164804.db2.gz ILJZJCMZZCKTGM-UHFFFAOYSA-N 1 0 260.381 2.123 10 0 CEAERO Cc1cc(OCC[NH+]2CC(CO)C2)ccc1C(C)C ZINC000091468139 180164842 /nfs/dbraw/zinc/16/48/42/180164842.db2.gz LKUIFIPVYOBIEA-UHFFFAOYSA-N 1 0 263.381 2.421 10 0 CEAERO CCc1nn(CC)c(C[C@H](O)C[NH2+]CC(C)C)c1Cl ZINC000091469512 180164953 /nfs/dbraw/zinc/16/49/53/180164953.db2.gz ITLHWSGHRHTORD-NSHDSACASA-N 1 0 287.835 2.268 10 0 CEAERO CC(C)[NH2+]CC[C@](C)(O)Cc1ccncc1Cl ZINC000091468121 180165027 /nfs/dbraw/zinc/16/50/27/180165027.db2.gz IWUURWIVLOQCNG-ZDUSSCGKSA-N 1 0 256.777 2.417 10 0 CEAERO CCN1C(=O)C[C@@H]([NH3+])[C@@H]1c1ccc(Br)c(C)c1 ZINC000091476280 180165936 /nfs/dbraw/zinc/16/59/36/180165936.db2.gz VUSWGADBXIFGPG-YPMHNXCESA-N 1 0 297.196 2.378 10 0 CEAERO CSC1(C(N)=S)CC[NH+](CCc2cccnc2)CC1 ZINC000091478929 180166104 /nfs/dbraw/zinc/16/61/04/180166104.db2.gz NGJNQJRDFRRTHT-UHFFFAOYSA-N 1 0 295.477 2.108 10 0 CEAERO C[NH2+]CC1CC(O[C@H](C)C(=O)Nc2ccccc2)C1 ZINC000091476582 180166264 /nfs/dbraw/zinc/16/62/64/180166264.db2.gz RJYNUKFEGYMBJL-LKSINWNRSA-N 1 0 262.353 2.028 10 0 CEAERO CC[C@H](C)[C@@H](C(=O)N1CC(C[NH3+])C1)c1ccccc1 ZINC000091488029 180167858 /nfs/dbraw/zinc/16/78/58/180167858.db2.gz KNWIEARZMMQSNX-SWLSCSKDSA-N 1 0 260.381 2.233 10 0 CEAERO CSC1(C(N)=S)CC[NH+](Cc2ccccn2)CC1 ZINC000091488577 180168309 /nfs/dbraw/zinc/16/83/09/180168309.db2.gz LTMGKFKBHHJRTC-UHFFFAOYSA-N 1 0 281.450 2.065 10 0 CEAERO CC1(C)C(C(=O)N[C@@H]2c3ccccc3C[C@H]2[NH3+])C1(C)C ZINC000091494707 180171452 /nfs/dbraw/zinc/17/14/52/180171452.db2.gz KTNRRRKFWJUGFR-CHWSQXEVSA-N 1 0 272.392 2.410 10 0 CEAERO C[N@H+](CC1CC(O)C1)CC(C)(C)[C@H](N)c1ccccc1 ZINC000091499454 180173888 /nfs/dbraw/zinc/17/38/88/180173888.db2.gz RLDXACCDAUAONU-AVVWSFFYSA-N 1 0 276.424 2.415 10 0 CEAERO CC(C)n1c(=S)[nH]nc1N1CCC[C@@H]([NH+](C)C)C1 ZINC000091392144 180145157 /nfs/dbraw/zinc/14/51/57/180145157.db2.gz OXKSQEBKHLLTMH-SNVBAGLBSA-N 1 0 269.418 2.052 10 0 CEAERO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2N)C1 ZINC000091393047 180145399 /nfs/dbraw/zinc/14/53/99/180145399.db2.gz PQUQAVRZCSDEKI-NSHDSACASA-N 1 0 281.787 2.088 10 0 CEAERO CC(C)Cc1ccc([C@@H](C)NC(=O)C2C[NH2+]C2)cc1 ZINC000091395849 180146076 /nfs/dbraw/zinc/14/60/76/180146076.db2.gz GNEZZAOPNURQMI-GFCCVEGCSA-N 1 0 260.381 2.282 10 0 CEAERO C[NH+](C)[C@H]1CCCN(C(=O)c2c(N)cccc2Cl)C1 ZINC000091395422 180146254 /nfs/dbraw/zinc/14/62/54/180146254.db2.gz MLNDUJDWZHGWRB-JTQLQIEISA-N 1 0 281.787 2.088 10 0 CEAERO CCOC(=O)[C@H]1C[C@@]12CC[N@H+](Cc1ccccc1)C2 ZINC000104853503 186028976 /nfs/dbraw/zinc/02/89/76/186028976.db2.gz FCWLRKKKNGDVQE-GDBMZVCRSA-N 1 0 259.349 2.462 10 0 CEAERO c1ncc(C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)o1 ZINC000091415110 180149122 /nfs/dbraw/zinc/14/91/22/180149122.db2.gz MXXVAJWIKCWLOC-HNNXBMFYSA-N 1 0 271.364 2.429 10 0 CEAERO C[NH2+]Cc1cncc(-n2cc(-c3ccccc3)cn2)n1 ZINC000091422528 180151172 /nfs/dbraw/zinc/15/11/72/180151172.db2.gz ZWRMHPPSQZAXHV-UHFFFAOYSA-N 1 0 265.320 2.049 10 0 CEAERO Cc1cc(C)n(-c2cncc(C[NH2+]C(C)(C)C)n2)n1 ZINC000091422353 180151381 /nfs/dbraw/zinc/15/13/81/180151381.db2.gz YZWXFPMLUSVHID-UHFFFAOYSA-N 1 0 259.357 2.167 10 0 CEAERO CCC[NH2+]Cc1cncc(-n2ccnc2CCC)n1 ZINC000091422537 180151508 /nfs/dbraw/zinc/15/15/08/180151508.db2.gz SLFLHONZYSYPHE-UHFFFAOYSA-N 1 0 259.357 2.114 10 0 CEAERO CN(C)[C@@H]1CCC[N@@H+]([C@@H]2CCCc3ccccc3[C@@H]2O)C1 ZINC000091427694 180151716 /nfs/dbraw/zinc/15/17/16/180151716.db2.gz GSAUXZMBEPIDQT-NXHRZFHOSA-N 1 0 288.435 2.451 10 0 CEAERO [NH3+]Cc1ccc2c(c1)nc(C1CC(O)C1)n2C1CC1 ZINC000091430506 180152748 /nfs/dbraw/zinc/15/27/48/180152748.db2.gz NXUVZAPXVJKCDN-UHFFFAOYSA-N 1 0 257.337 2.068 10 0 CEAERO CCC[NH2+][C@H](Cc1cnccc1N)C(C)(C)N1CCCC1 ZINC000091563637 180192972 /nfs/dbraw/zinc/19/29/72/180192972.db2.gz ZWMSBCGYWMFUKW-MRXNPFEDSA-N 1 0 290.455 2.449 10 0 CEAERO Cc1cc(CC(=O)C(C)(C)[NH+]2CCCCC2)n(C)n1 ZINC000091563731 180193016 /nfs/dbraw/zinc/19/30/16/180193016.db2.gz YSZQAAMLXLTCRA-UHFFFAOYSA-N 1 0 263.385 2.105 10 0 CEAERO CCc1ccc([C@@H](O)C(C)(C)[NH+]2CCOCC2)cc1 ZINC000091565676 180193374 /nfs/dbraw/zinc/19/33/74/180193374.db2.gz KUONQJXFHWAQDN-OAHLLOKOSA-N 1 0 263.381 2.393 10 0 CEAERO CC(C)([C@@H]([NH3+])c1ccc(F)c(F)c1F)N1CCOCC1 ZINC000091566326 180194000 /nfs/dbraw/zinc/19/40/00/180194000.db2.gz ULMGAGWAKSRPKW-ZDUSSCGKSA-N 1 0 288.313 2.215 10 0 CEAERO C[NH2+][C@H](c1cccc(C)c1)C(C)(C)N1CCOCC1 ZINC000091566581 180194195 /nfs/dbraw/zinc/19/41/95/180194195.db2.gz FAICPIKLRAHCDI-OAHLLOKOSA-N 1 0 262.397 2.366 10 0 CEAERO C[NH2+][C@@H](c1ccc(F)cc1F)C(C)(C)N1CCOCC1 ZINC000091566460 180194216 /nfs/dbraw/zinc/19/42/16/180194216.db2.gz NQOKWWKVWURNEW-AWEZNQCLSA-N 1 0 284.350 2.336 10 0 CEAERO COc1ccc(Cl)cc1[C@@H]([NH3+])C(C)(C)N1CCOCC1 ZINC000091566311 180194250 /nfs/dbraw/zinc/19/42/50/180194250.db2.gz RNQVRPAYITXRPM-CQSZACIVSA-N 1 0 298.814 2.459 10 0 CEAERO Cn1ccnc1[C@@H](N)C(C)(C)[NH+]1CCCCCC1 ZINC000091567873 180194723 /nfs/dbraw/zinc/19/47/23/180194723.db2.gz HNCLKSUGWYNPPM-GFCCVEGCSA-N 1 0 250.390 2.075 10 0 CEAERO CCCn1cc([C@H]([NH2+]CC)C(C)(C)N2CCOCC2)cn1 ZINC000091567008 180194882 /nfs/dbraw/zinc/19/48/82/180194882.db2.gz IGNBXBWDMMGJBO-HNNXBMFYSA-N 1 0 294.443 2.055 10 0 CEAERO Cn1cc([C@@H](O)C(C)(C)[NH+]2CCCCCC2)cn1 ZINC000091567686 180194973 /nfs/dbraw/zinc/19/49/73/180194973.db2.gz WYQSJCRBEQGUMQ-CYBMUJFWSA-N 1 0 251.374 2.108 10 0 CEAERO CC[NH2+][C@H](c1cnccc1C)C(C)(C)N1CCOCC1 ZINC000091566979 180195023 /nfs/dbraw/zinc/19/50/23/180195023.db2.gz MGGQOYWJWAMZFL-OAHLLOKOSA-N 1 0 277.412 2.151 10 0 CEAERO CC[C@](C)([C@@H](O)Cc1nn(C)c2ccccc12)[NH+](C)C ZINC000091569287 180195644 /nfs/dbraw/zinc/19/56/44/180195644.db2.gz OHLQTUUZGLJERJ-JKSUJKDBSA-N 1 0 275.396 2.207 10 0 CEAERO CCn1nc(C)c(Cl)c1C[C@H](N)[C@@](C)(CC)[NH+](C)C ZINC000091569959 180195718 /nfs/dbraw/zinc/19/57/18/180195718.db2.gz OGUFSTRGZCBLIG-GXTWGEPZSA-N 1 0 286.851 2.465 10 0 CEAERO CCCn1nccc1[C@H]([NH2+]C)[C@](C)(CC)N(C)C ZINC000091570498 180195730 /nfs/dbraw/zinc/19/57/30/180195730.db2.gz QXAJHAKRUCKSKO-KBPBESRZSA-N 1 0 252.406 2.284 10 0 CEAERO CC[C@@](C)([C@@H](N)Cc1ccncc1Cl)[NH+](C)C ZINC000091569762 180195764 /nfs/dbraw/zinc/19/57/64/180195764.db2.gz SGGXBJBDABVYOM-STQMWFEESA-N 1 0 255.793 2.335 10 0 CEAERO CCCn1ncnc1C[C@@H](N)[C@@](C)(CC)[NH+](CC)CC ZINC000091574049 180197295 /nfs/dbraw/zinc/19/72/95/180197295.db2.gz SKPBGIIAKKUNMG-UKRRQHHQSA-N 1 0 281.448 2.068 10 0 CEAERO CCN1C(=O)C[C@H]([NH2+][C@@H](c2cccs2)C(C)C)C1=O ZINC000105113204 186042174 /nfs/dbraw/zinc/04/21/74/186042174.db2.gz QJOKYFCLTBUFLJ-GXFFZTMASA-N 1 0 280.393 2.182 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@@H](NC)c1cnccc1N ZINC000091599380 180202146 /nfs/dbraw/zinc/20/21/46/180202146.db2.gz MPVIFXRUOOVBCO-LSDHHAIUSA-N 1 0 264.417 2.435 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@@H](NC)c1cnccn1 ZINC000091599176 180202617 /nfs/dbraw/zinc/20/26/17/180202617.db2.gz ISSCSNQPDVWGKT-KBPBESRZSA-N 1 0 250.390 2.248 10 0 CEAERO CC[C@](C)(C(=O)c1c(C)ccnc1N)[NH+]1CCCC1 ZINC000091601751 180202841 /nfs/dbraw/zinc/20/28/41/180202841.db2.gz UCDQZYVMZZURCA-OAHLLOKOSA-N 1 0 261.369 2.419 10 0 CEAERO CC[C@@](C)([C@H](O)Cc1ncnn1CC(C)C)[NH+]1CCCC1 ZINC000091603491 180203563 /nfs/dbraw/zinc/20/35/63/180203563.db2.gz SDNAOOQILMLUDL-ZBFHGGJFSA-N 1 0 294.443 2.102 10 0 CEAERO CC[NH2+][C@@H](Cc1cccnc1N)[C@@](C)(CC)N1CCCC1 ZINC000091607272 180204080 /nfs/dbraw/zinc/20/40/80/180204080.db2.gz QVGUEFWTRQKCMO-DOTOQJQBSA-N 1 0 290.455 2.449 10 0 CEAERO CC[C@](C)([C@H](Cc1ccccn1)[NH2+]C)N1CCCC1 ZINC000091606062 180204483 /nfs/dbraw/zinc/20/44/83/180204483.db2.gz LXNADALMEJNUMT-JKSUJKDBSA-N 1 0 261.413 2.477 10 0 CEAERO CC[C@@](C)([C@H]([NH2+]C)c1cnn(C)c1)N1CCCCC1 ZINC000091609861 180205208 /nfs/dbraw/zinc/20/52/08/180205208.db2.gz MHHRFSNTJSVIRU-CABCVRRESA-N 1 0 264.417 2.335 10 0 CEAERO CC[C@@](C)([C@H](N)C1CCOCC1)[NH+]1CCCCC1 ZINC000091608953 180205574 /nfs/dbraw/zinc/20/55/74/180205574.db2.gz BPRZZOZNOAWIOL-CABCVRRESA-N 1 0 254.418 2.395 10 0 CEAERO CC[C@@](C)([C@H](O)Cc1cccnc1N)[NH+]1CCCCC1 ZINC000091608725 180205760 /nfs/dbraw/zinc/20/57/60/180205760.db2.gz HCNYIUUYSZWMMM-ZBFHGGJFSA-N 1 0 277.412 2.222 10 0 CEAERO CC[C@@](C)([C@@H]([NH3+])Cc1ccccc1F)N1CCOCC1 ZINC000091611567 180206794 /nfs/dbraw/zinc/20/67/94/180206794.db2.gz KZAMACGYPMXSRY-HOTGVXAUSA-N 1 0 280.387 2.196 10 0 CEAERO CC[C@@](C)([C@@H](O)Cc1ccc(F)cc1)[NH+]1CCOCC1 ZINC000091611415 180206852 /nfs/dbraw/zinc/20/68/52/180206852.db2.gz UAZRHUVESINQFL-HOTGVXAUSA-N 1 0 281.371 2.230 10 0 CEAERO CC[C@@](C)([C@@H]([NH3+])Cc1cccc(F)c1)N1CCOCC1 ZINC000091611863 180206854 /nfs/dbraw/zinc/20/68/54/180206854.db2.gz JZPRHLAGVIXLPU-HOTGVXAUSA-N 1 0 280.387 2.196 10 0 CEAERO CC[NH2+][C@@H](CC1CC1)[C@@](C)(CC)N1CCOCC1 ZINC000091612904 180207344 /nfs/dbraw/zinc/20/73/44/180207344.db2.gz QLMGEYMYCLQNBY-LSDHHAIUSA-N 1 0 254.418 2.266 10 0 CEAERO CC[NH2+][C@@H](c1cnn(CC)c1)[C@](C)(CC)N1CCOCC1 ZINC000091612999 180207541 /nfs/dbraw/zinc/20/75/41/180207541.db2.gz MEOWRJXSAPBRFI-HOTGVXAUSA-N 1 0 294.443 2.055 10 0 CEAERO CCC(CC)([C@@H]([NH2+]C)c1cccnc1N)N(C)C ZINC000091614591 180208032 /nfs/dbraw/zinc/20/80/32/180208032.db2.gz UGYVUQZRPIPHQJ-LBPRGKRZSA-N 1 0 250.390 2.045 10 0 CEAERO CCN(CC)C(CC)(CC)[C@H](Cc1cnn(C)c1)[NH2+]C ZINC000091616194 180208136 /nfs/dbraw/zinc/20/81/36/180208136.db2.gz WKSKZAWAMYRWIV-HNNXBMFYSA-N 1 0 280.460 2.451 10 0 CEAERO CCC(CC)([C@H](O)Cc1c(Cl)c(C)nn1C)[NH+](C)C ZINC000091613767 180208148 /nfs/dbraw/zinc/20/81/48/180208148.db2.gz CMOYBFPOOIXGTJ-GFCCVEGCSA-N 1 0 287.835 2.406 10 0 CEAERO Cc1cc(F)cc(NS(=O)(=O)C[C@H]2CCCC[NH2+]2)c1 ZINC000091516511 180177458 /nfs/dbraw/zinc/17/74/58/180177458.db2.gz UEUHZQDKIFTHTM-GFCCVEGCSA-N 1 0 286.372 2.018 10 0 CEAERO C[C@@](O)(C[NH3+])Cc1nc(-c2cccc3ccccc32)no1 ZINC000091522894 180178412 /nfs/dbraw/zinc/17/84/12/180178412.db2.gz XCSBDYYCGPPTAF-INIZCTEOSA-N 1 0 283.331 2.142 10 0 CEAERO Cc1cc(C(=O)NCC2CC([NH3+])C2)c2ccccc2n1 ZINC000091524762 180178666 /nfs/dbraw/zinc/17/86/66/180178666.db2.gz YWDLGXYGJNYYMC-UHFFFAOYSA-N 1 0 269.348 2.010 10 0 CEAERO C[NH+](C)C(C)(C)C(=O)CCc1ccc2c(c1)CCO2 ZINC000091528052 180180025 /nfs/dbraw/zinc/18/00/25/180180025.db2.gz YXEPETUJTXGURA-UHFFFAOYSA-N 1 0 261.365 2.463 10 0 CEAERO C[NH2+][C@H](Cc1nn(C)c2ccccc12)C(C)(C)N(C)C ZINC000091528624 180180341 /nfs/dbraw/zinc/18/03/41/180180341.db2.gz UBNVKJWAZOLSLL-OAHLLOKOSA-N 1 0 274.412 2.044 10 0 CEAERO CC[NH2+][C@@H](Cc1cnn(C)c1)C(C)(C)N(CC)CC ZINC000091531373 180180795 /nfs/dbraw/zinc/18/07/95/180180795.db2.gz YPEMPVGNZIPIRK-AWEZNQCLSA-N 1 0 266.433 2.061 10 0 CEAERO CCC[NH2+][C@@H](c1nccn1CC)C(C)(C)N(C)C ZINC000091529546 180180982 /nfs/dbraw/zinc/18/09/82/180180982.db2.gz MWMLTMAJNMGXID-LBPRGKRZSA-N 1 0 252.406 2.284 10 0 CEAERO CCc1cc(C[C@@H]([NH3+])C(C)(C)N2CCCC2)n(CC)n1 ZINC000091533975 180181218 /nfs/dbraw/zinc/18/12/18/180181218.db2.gz FHBZHPQWZBAGNL-OAHLLOKOSA-N 1 0 278.444 2.210 10 0 CEAERO CCCn1cc([C@H]([NH2+]C)C(C)(C)N2CCCC2)cn1 ZINC000091534846 180181951 /nfs/dbraw/zinc/18/19/51/180181951.db2.gz KFEAPTNSSZXMMH-AWEZNQCLSA-N 1 0 264.417 2.428 10 0 CEAERO CC[NH2+][C@H](Cc1cc(CC)nn1C)C(C)(C)N1CCCC1 ZINC000091535601 180182244 /nfs/dbraw/zinc/18/22/44/180182244.db2.gz BCZHKBIKQNULCS-MRXNPFEDSA-N 1 0 292.471 2.378 10 0 CEAERO CC[NH2+][C@@H](c1cccnc1N)C(C)(C)N1CCCC1 ZINC000091535951 180182396 /nfs/dbraw/zinc/18/23/96/180182396.db2.gz SGGZGDYUOJHNAX-ZDUSSCGKSA-N 1 0 262.401 2.189 10 0 CEAERO COc1ccccc1CC[N@H+](C)C[C@@H](O)COC(C)(C)C ZINC000104962726 186037010 /nfs/dbraw/zinc/03/70/10/186037010.db2.gz NDBSNCMITWWTEE-OAHLLOKOSA-N 1 0 295.423 2.346 10 0 CEAERO CCc1nc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)sc1C ZINC000091543341 180185078 /nfs/dbraw/zinc/18/50/78/180185078.db2.gz WCTZVZYPCKKBNJ-DTWKUNHWSA-N 1 0 253.371 2.080 10 0 CEAERO CCN(C(=O)[C@@H]1CC[C@H]([NH3+])C1)[C@@H](C)c1cccc(O)c1 ZINC000091544640 180185755 /nfs/dbraw/zinc/18/57/55/180185755.db2.gz GGRISHCMTYYURF-YUTCNCBUSA-N 1 0 276.380 2.429 10 0 CEAERO [NH3+][C@H]1CC[C@H](C(=O)Nc2cccc(OC(F)F)c2)C1 ZINC000091545365 180186203 /nfs/dbraw/zinc/18/62/03/180186203.db2.gz XYCKVWWVEHJEIO-IUCAKERBSA-N 1 0 270.279 2.354 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](C(=O)Nc2c(F)cc(F)cc2F)C1 ZINC000091546519 180187017 /nfs/dbraw/zinc/18/70/17/180187017.db2.gz MVOPTMDZWFGRTL-HTRCEHHLSA-N 1 0 258.243 2.170 10 0 CEAERO [NH3+][C@H]1CC[C@@H](C(=O)N(Cc2ccco2)CC(F)(F)F)C1 ZINC000091546298 180187187 /nfs/dbraw/zinc/18/71/87/180187187.db2.gz KSNCEBJHWMGFCJ-ZJUUUORDSA-N 1 0 290.285 2.298 10 0 CEAERO CCn1nccc1[C@H]([NH2+]C)C1(N(C)C)CCCC1 ZINC000091637554 180211920 /nfs/dbraw/zinc/21/19/20/180211920.db2.gz IPRFUTQJROFDLI-ZDUSSCGKSA-N 1 0 250.390 2.038 10 0 CEAERO CC[NH+](CC)C1([C@H](NC)c2cnccn2)CCCC1 ZINC000091639450 180212222 /nfs/dbraw/zinc/21/22/22/180212222.db2.gz RTLGGYKBVGWNGH-CQSZACIVSA-N 1 0 262.401 2.392 10 0 CEAERO CCn1nc(C)cc1C[C@@H]([NH2+]C)C1(N(C)C)CCCC1 ZINC000091637728 180212449 /nfs/dbraw/zinc/21/24/49/180212449.db2.gz ROTLYLNHLIIKSF-OAHLLOKOSA-N 1 0 278.444 2.216 10 0 CEAERO CC[NH2+][C@H](c1cnccc1N)C1(N(C)C)CCCC1 ZINC000091638012 180212616 /nfs/dbraw/zinc/21/26/16/180212616.db2.gz HBYDOUGMEBBLLU-CQSZACIVSA-N 1 0 262.401 2.189 10 0 CEAERO Cc1cc(C[C@@H](N)C2([NH+]3CCCC3)CCCC2)n(C)n1 ZINC000091640679 180212974 /nfs/dbraw/zinc/21/29/74/180212974.db2.gz JKUMLWQGPCTWLD-OAHLLOKOSA-N 1 0 276.428 2.007 10 0 CEAERO N[C@H]([C@H]1CCOC1)C1([NH+]2CCCCC2)CCCC1 ZINC000091641834 180213310 /nfs/dbraw/zinc/21/33/10/180213310.db2.gz DLISJRKMHDDZHO-UONOGXRCSA-N 1 0 252.402 2.149 10 0 CEAERO C[NH2+][C@@H](CC1CCOCC1)C1(N2CCOCC2)CCCC1 ZINC000091643139 180213814 /nfs/dbraw/zinc/21/38/14/180213814.db2.gz GVRASXAPKAFKDX-INIZCTEOSA-N 1 0 296.455 2.036 10 0 CEAERO C[NH2+][C@H](CC1CC1)C1(N2CCOCC2)CCCC1 ZINC000091643198 180214190 /nfs/dbraw/zinc/21/41/90/180214190.db2.gz HGFSXKCYJWSYTD-CQSZACIVSA-N 1 0 252.402 2.020 10 0 CEAERO Cc1cnc(N)c([C@H](O)C2([NH+](C)C)CCCCC2)c1 ZINC000091646865 180215182 /nfs/dbraw/zinc/21/51/82/180215182.db2.gz WBMBIRSMFRLNET-ZDUSSCGKSA-N 1 0 263.385 2.270 10 0 CEAERO CC[NH2+][C@H](Cc1ncnn1CC)C1(N(C)C)CCCCC1 ZINC000091647975 180215193 /nfs/dbraw/zinc/21/51/93/180215193.db2.gz NLMXETADZGUKAF-CQSZACIVSA-N 1 0 293.459 2.083 10 0 CEAERO CCn1nccc1[C@@H](O)C1([NH+](C)C)CCCCC1 ZINC000091646625 180215689 /nfs/dbraw/zinc/21/56/89/180215689.db2.gz DAZGKEICYDDACC-CYBMUJFWSA-N 1 0 251.374 2.201 10 0 CEAERO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCS[C@@H](C)C2)C1 ZINC000105272993 186048330 /nfs/dbraw/zinc/04/83/30/186048330.db2.gz AOKGYRIADCSFHT-UONOGXRCSA-N 1 0 299.484 2.254 10 0 CEAERO C[NH2+][C@H](c1cnccc1N)[C@@]1(N(C)C)CCC[C@@H](C)C1 ZINC000091652667 180216987 /nfs/dbraw/zinc/21/69/87/180216987.db2.gz CSHNNMYIQNIXMK-DAXOMENPSA-N 1 0 276.428 2.435 10 0 CEAERO C[N@@H+]1CCCC[C@H]1COc1nc(Cl)ncc1F ZINC000091655071 180217432 /nfs/dbraw/zinc/21/74/32/180217432.db2.gz IVZUAGIDYBCBRF-QMMMGPOBSA-N 1 0 259.712 2.132 10 0 CEAERO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCS[C@@H](C)C2)C1 ZINC000105272986 186049268 /nfs/dbraw/zinc/04/92/68/186049268.db2.gz AOKGYRIADCSFHT-KBPBESRZSA-N 1 0 299.484 2.254 10 0 CEAERO CC(C)(C)c1nsc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000091673075 180223914 /nfs/dbraw/zinc/22/39/14/180223914.db2.gz AEOVGBWVZNXAIO-GHMZBOCLSA-N 1 0 296.440 2.111 10 0 CEAERO CC[NH2+][C@@H](c1cc(C)ccc1C)[C@H]1CN(C)CCO1 ZINC000091718696 180233114 /nfs/dbraw/zinc/23/31/14/180233114.db2.gz ZWIAPBSGOQYRTD-CVEARBPZSA-N 1 0 262.397 2.285 10 0 CEAERO CC[NH2+][C@H](Cc1cccc(Cl)c1)[C@H]1CN(C)CCO1 ZINC000091718845 180233183 /nfs/dbraw/zinc/23/31/83/180233183.db2.gz GHHCORXOTNOMKS-HUUCEWRRSA-N 1 0 282.815 2.191 10 0 CEAERO CCC[NH2+][C@H](Cc1cccc(F)c1F)[C@H]1CN(C)CCO1 ZINC000091718981 180233570 /nfs/dbraw/zinc/23/35/70/180233570.db2.gz GGLITWFWVWCVBW-HUUCEWRRSA-N 1 0 298.377 2.206 10 0 CEAERO CC[NH2+][C@H](Cc1cccc(Cl)c1)[C@@H]1CN(C)CCO1 ZINC000091718843 180233645 /nfs/dbraw/zinc/23/36/45/180233645.db2.gz GHHCORXOTNOMKS-CABCVRRESA-N 1 0 282.815 2.191 10 0 CEAERO CC[NH2+][C@@H](c1cc(Cl)ccc1OC)[C@@H]1CN(C)CCO1 ZINC000091718706 180233825 /nfs/dbraw/zinc/23/38/25/180233825.db2.gz WMHYBEPKUKODHA-GJZGRUSLSA-N 1 0 298.814 2.330 10 0 CEAERO CCC[NH2+][C@H](c1c(F)cccc1F)[C@@H]1CN(C)CCO1 ZINC000091719159 180234064 /nfs/dbraw/zinc/23/40/64/180234064.db2.gz DXJINSXNMORVAV-ZFWWWQNUSA-N 1 0 284.350 2.336 10 0 CEAERO CCC[NH2+][C@H](CCc1cccs1)[C@@H]1CN(C)CCO1 ZINC000091719143 180234220 /nfs/dbraw/zinc/23/42/20/180234220.db2.gz JJPOGGCYVNXDEY-CABCVRRESA-N 1 0 282.453 2.380 10 0 CEAERO CCC[NH2+][C@@H](c1ccc(C)cc1)[C@H]1CN(C)CCO1 ZINC000091719236 180234470 /nfs/dbraw/zinc/23/44/70/180234470.db2.gz IFUKMIUUNGCWHB-CVEARBPZSA-N 1 0 262.397 2.366 10 0 CEAERO N[C@H](c1cnc2ccccc2c1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720624 180235593 /nfs/dbraw/zinc/23/55/93/180235593.db2.gz XUOXLWZKRXNQLW-DJIMGWMZSA-N 1 0 283.375 2.098 10 0 CEAERO CCc1ccc([C@H](CC)[NH2+][C@H]2CCOC[C@H]2O)cc1 ZINC000624235838 350239764 /nfs/dbraw/zinc/23/97/64/350239764.db2.gz QQCJPGLLTZHMBJ-HRCADAONSA-N 1 0 263.381 2.440 10 0 CEAERO O[C@H]1COCC[C@H]1[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000624238199 350241217 /nfs/dbraw/zinc/24/12/17/350241217.db2.gz MFPGBFCRZFGHMS-AXVKAWJUSA-N 1 0 281.783 2.325 10 0 CEAERO O[C@H]1COCC[C@@H]1[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000624238200 350241339 /nfs/dbraw/zinc/24/13/39/350241339.db2.gz MFPGBFCRZFGHMS-MOQPVCNJSA-N 1 0 281.783 2.325 10 0 CEAERO C[NH2+][C@H](c1cc(F)ccc1C)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721357 180238360 /nfs/dbraw/zinc/23/83/60/180238360.db2.gz HSKDOPKYWQTBRB-VNQPRFMTSA-N 1 0 278.371 2.258 10 0 CEAERO CCc1ccc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)o1 ZINC000091762458 180247730 /nfs/dbraw/zinc/24/77/30/180247730.db2.gz QIRZJBCVJMSYBZ-GXTWGEPZSA-N 1 0 276.380 2.446 10 0 CEAERO CCc1ccc(C(=O)N2CCC([C@H](C)[NH3+])CC2)o1 ZINC000091762668 180248568 /nfs/dbraw/zinc/24/85/68/180248568.db2.gz NLIXYFMDHVJGJZ-JTQLQIEISA-N 1 0 250.342 2.041 10 0 CEAERO COCCC[N@H+](CCOC)[C@H](C)c1ccc(C(=O)OC)o1 ZINC000091781506 180253320 /nfs/dbraw/zinc/25/33/20/180253320.db2.gz PEOVFJHFBCGPKR-GFCCVEGCSA-N 1 0 299.367 2.112 10 0 CEAERO COC[C@@H](C)[N@H+](C)[C@@H](C)c1ccc(C(=O)OC)o1 ZINC000091781335 180254057 /nfs/dbraw/zinc/25/40/57/180254057.db2.gz UMAFCQDMWJLODD-ZJUUUORDSA-N 1 0 255.314 2.094 10 0 CEAERO CC[NH2+][C@@H](C)c1cccn1CC(=O)N[C@H](C)CC ZINC000091801519 180258804 /nfs/dbraw/zinc/25/88/04/180258804.db2.gz BGVQRBLNVPCEMS-NEPJUHHUSA-N 1 0 251.374 2.073 10 0 CEAERO CC[NH2+][C@@H](C)c1cccn1CC(=O)N(C)C(C)C ZINC000091801827 180259211 /nfs/dbraw/zinc/25/92/11/180259211.db2.gz HNLOUKFDNDCSKH-LBPRGKRZSA-N 1 0 251.374 2.025 10 0 CEAERO C[NH2+][C@@H]1CC(C)(C)Cc2nc([C@@H]3CN(C)CCO3)sc21 ZINC000091722478 180240051 /nfs/dbraw/zinc/24/00/51/180240051.db2.gz ODXJTMRVRMZTBP-PWSUYJOCSA-N 1 0 295.452 2.379 10 0 CEAERO CC[NH2+][C@H](Cc1ccccc1C)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721823 180240172 /nfs/dbraw/zinc/24/01/72/180240172.db2.gz NADDXUHFDFQHNV-KZNAEPCWSA-N 1 0 288.435 2.379 10 0 CEAERO CC[NH2+][C@H](CCc1ccccc1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091722009 180240343 /nfs/dbraw/zinc/24/03/43/180240343.db2.gz QKEBSKRPJARDBM-KURKYZTESA-N 1 0 288.435 2.461 10 0 CEAERO CC[NH2+][C@H](Cc1ccc(F)cc1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721891 180241072 /nfs/dbraw/zinc/24/10/72/180241072.db2.gz ZYEMSUKMQZHYHP-BRWVUGGUSA-N 1 0 292.398 2.210 10 0 CEAERO Cc1noc(CC[NH2+]Cc2cnc(C(C)(C)C)s2)n1 ZINC000105469003 186058687 /nfs/dbraw/zinc/05/86/87/186058687.db2.gz VTGNNQNJKCVYAA-UHFFFAOYSA-N 1 0 280.397 2.464 10 0 CEAERO C[N@H+](CC1CCOCC1)C1CCC2(CC1)OCCO2 ZINC000091853778 180273987 /nfs/dbraw/zinc/27/39/87/180273987.db2.gz UVXQPSXCBGKXGK-UHFFFAOYSA-N 1 0 269.385 2.031 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)c2cc(OC)ccc2O)CC1 ZINC000091854535 180274324 /nfs/dbraw/zinc/27/43/24/180274324.db2.gz KLMPZYQYQZLTAG-UHFFFAOYSA-N 1 0 292.379 2.003 10 0 CEAERO CCC[NH2+][C@H](C)c1cccn1CC(=O)N(CC)CC ZINC000091802444 180259700 /nfs/dbraw/zinc/25/97/00/180259700.db2.gz HHXGOWRXRYVQGW-CYBMUJFWSA-N 1 0 265.401 2.417 10 0 CEAERO CCC[NH2+][C@H](C)c1cccn1CCCC(=O)NC ZINC000091802545 180260207 /nfs/dbraw/zinc/26/02/07/180260207.db2.gz XEAYBAREDYVCAO-GFCCVEGCSA-N 1 0 251.374 2.075 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccn(CC(=O)NC(C)(C)C)c1 ZINC000091806332 180260482 /nfs/dbraw/zinc/26/04/82/180260482.db2.gz GJYIKWYNUCQJBK-LBPRGKRZSA-N 1 0 265.401 2.463 10 0 CEAERO CCC[NH2+][C@H](C)c1ccn(CCCC(=O)NC)c1 ZINC000091805999 180260848 /nfs/dbraw/zinc/26/08/48/180260848.db2.gz HIKSYTOOZJPAHJ-GFCCVEGCSA-N 1 0 251.374 2.075 10 0 CEAERO CCC[NH2+][C@@H](CC)c1ccn(C[C@@H](C)C(N)=O)c1 ZINC000091817630 180263234 /nfs/dbraw/zinc/26/32/34/180263234.db2.gz ZEDZBKVZDIKZMU-YPMHNXCESA-N 1 0 251.374 2.060 10 0 CEAERO CCC[NH2+][C@H](CCC)c1ccn(CC(=O)N(C)C)c1 ZINC000091823390 180263830 /nfs/dbraw/zinc/26/38/30/180263830.db2.gz MJECQNGZOGPTEH-CQSZACIVSA-N 1 0 265.401 2.417 10 0 CEAERO CCC[C@@H]([NH3+])c1ccn(CC(=O)N[C@@H](C)C(C)C)c1 ZINC000091820979 180263984 /nfs/dbraw/zinc/26/39/84/180263984.db2.gz OXASIESQERTWNU-GXTWGEPZSA-N 1 0 265.401 2.449 10 0 CEAERO CCC[C@@H]([NH2+]C)c1ccn(CC(=O)N[C@H](C)CC)c1 ZINC000091821778 180264129 /nfs/dbraw/zinc/26/41/29/180264129.db2.gz DIMJHXAIJZMFIB-TZMCWYRMSA-N 1 0 265.401 2.463 10 0 CEAERO CCC[C@H]([NH2+]CC)c1ccn(CCC(=O)N(C)C)c1 ZINC000091822739 180264180 /nfs/dbraw/zinc/26/41/80/180264180.db2.gz KFWSHHTVJZGIET-AWEZNQCLSA-N 1 0 265.401 2.417 10 0 CEAERO CC[NH2+][C@@H](c1ccn(CCC(=O)OC)c1)C(C)C ZINC000091827776 180264622 /nfs/dbraw/zinc/26/46/22/180264622.db2.gz XZGYBGGKJOMIRM-CQSZACIVSA-N 1 0 252.358 2.358 10 0 CEAERO CC(C)Oc1cc(NCc2ccc(C[NH3+])cc2)ncn1 ZINC000090785993 539786310 /nfs/dbraw/zinc/78/63/10/539786310.db2.gz VLWYDICUHVHNLC-UHFFFAOYSA-N 1 0 272.352 2.335 10 0 CEAERO [NH3+]C1CCC(NC(=O)/C=C/c2ccc(F)cc2)CC1 ZINC000091843033 180269097 /nfs/dbraw/zinc/26/90/97/180269097.db2.gz VSTVWLBTWAKAAV-XCVCLJGOSA-N 1 0 262.328 2.225 10 0 CEAERO CN(c1ccc(C(N)=O)c(Cl)c1)C1CCC([NH3+])CC1 ZINC000091849508 180271372 /nfs/dbraw/zinc/27/13/72/180271372.db2.gz XBYVIQNRFCHHSJ-UHFFFAOYSA-N 1 0 281.787 2.145 10 0 CEAERO CCN(C(=O)Cc1ccc(OC)cc1)C1CCC([NH3+])CC1 ZINC000091850461 180271749 /nfs/dbraw/zinc/27/17/49/180271749.db2.gz SGVSQYAKJDPVOJ-UHFFFAOYSA-N 1 0 290.407 2.356 10 0 CEAERO COCC[NH2+]Cc1ncoc1-c1cccc(F)c1 ZINC000091959419 180292014 /nfs/dbraw/zinc/29/20/14/180292014.db2.gz WEFNBLPNPSNNNI-UHFFFAOYSA-N 1 0 250.273 2.217 10 0 CEAERO COCC[NH2+]Cc1ncoc1-c1ccc(OC)cc1 ZINC000091959701 180292493 /nfs/dbraw/zinc/29/24/93/180292493.db2.gz WLZQRFXYGIESOD-UHFFFAOYSA-N 1 0 262.309 2.086 10 0 CEAERO C[NH2+]Cc1ncoc1-c1cc(OC)c(OC)cc1OC ZINC000091957675 180292671 /nfs/dbraw/zinc/29/26/71/180292671.db2.gz MFHFIIZEFODGNN-UHFFFAOYSA-N 1 0 278.308 2.087 10 0 CEAERO CCC1CCC(C[NH3+])(NC(=O)N2CCCC2)CC1 ZINC000091963067 180293081 /nfs/dbraw/zinc/29/30/81/180293081.db2.gz SFWRAOXHWUYNNM-UHFFFAOYSA-N 1 0 253.390 2.090 10 0 CEAERO CCN(CC)C(=O)N1CC[NH2+]CC12CCCCC2 ZINC000091962130 180293401 /nfs/dbraw/zinc/29/34/01/180293401.db2.gz URGZAEGAVWSCBD-UHFFFAOYSA-N 1 0 253.390 2.056 10 0 CEAERO CC(C)[NH2+]C[C@@H]1CCCN(C(=O)N2CCCCC2)C1 ZINC000091969457 180294510 /nfs/dbraw/zinc/29/45/10/180294510.db2.gz UBMLKUSYXLCCBL-AWEZNQCLSA-N 1 0 267.417 2.302 10 0 CEAERO CCC[NH2+]C1CCC(N(C)C(=O)NC2CC2)CC1 ZINC000091869812 180276848 /nfs/dbraw/zinc/27/68/48/180276848.db2.gz DNQHCNNFECYQOY-UHFFFAOYSA-N 1 0 253.390 2.101 10 0 CEAERO CC[NH2+]C1CCC(N(C)c2cc(CC)ncn2)CC1 ZINC000091870782 180277135 /nfs/dbraw/zinc/27/71/35/180277135.db2.gz YRNDUDVQZFEQHQ-UHFFFAOYSA-N 1 0 262.401 2.396 10 0 CEAERO C[NH2+]C1CCC(N(C)c2cc(C)cc3ncnn32)CC1 ZINC000091873693 180278603 /nfs/dbraw/zinc/27/86/03/180278603.db2.gz UTADLBJUJCQVPT-UHFFFAOYSA-N 1 0 273.384 2.005 10 0 CEAERO CC(C)C1CCC(C[NH3+])(C2(O)CCOCC2)CC1 ZINC000091907524 180283784 /nfs/dbraw/zinc/28/37/84/180283784.db2.gz HVQBMTHQNSOYMQ-UHFFFAOYSA-N 1 0 255.402 2.319 10 0 CEAERO COc1ccc([C@H](O)C2(C[NH3+])CCC2)cc1OC(F)F ZINC000091909139 180284542 /nfs/dbraw/zinc/28/45/42/180284542.db2.gz ZDLMMBDVBIKYJM-LBPRGKRZSA-N 1 0 287.306 2.459 10 0 CEAERO [NH3+]CC1([C@H](O)c2ccc3c(c2)OCCO3)CCCCC1 ZINC000091909282 180284545 /nfs/dbraw/zinc/28/45/45/180284545.db2.gz CZFZELRNBMOHEA-OAHLLOKOSA-N 1 0 277.364 2.400 10 0 CEAERO [NH3+]C[C@]1([C@@H](O)c2ccccn2)CCCc2ccccc21 ZINC000091910172 180285188 /nfs/dbraw/zinc/28/51/88/180285188.db2.gz SDJZKGGFOBEDQY-DLBZAZTESA-N 1 0 268.360 2.348 10 0 CEAERO CCCC1CCC(C[NH3+])([C@H](O)[C@@H]2CCOC2)CC1 ZINC000091912167 180285357 /nfs/dbraw/zinc/28/53/57/180285357.db2.gz YKEVUGXJEYPFTG-PIOWNMBXSA-N 1 0 255.402 2.319 10 0 CEAERO C[C@@H](C[C@@H](O)C1(C[NH3+])CCOCC1)c1ccccc1 ZINC000091913791 180285370 /nfs/dbraw/zinc/28/53/70/180285370.db2.gz BHBGFILIXBHLGM-DZGCQCFKSA-N 1 0 263.381 2.297 10 0 CEAERO CC(C)(C)C[C@H](O)[C@]1(C[NH3+])COc2ccccc2C1 ZINC000091918067 180286077 /nfs/dbraw/zinc/28/60/77/180286077.db2.gz WHWQOZBXRCRVHG-GOEBONIOSA-N 1 0 263.381 2.364 10 0 CEAERO [NH3+]CC1([C@@H](O)c2cccc3cccnc32)CCOCC1 ZINC000091918217 180286664 /nfs/dbraw/zinc/28/66/64/180286664.db2.gz WSOAVXGEOWQEQK-HNNXBMFYSA-N 1 0 272.348 2.024 10 0 CEAERO CC[C@@](C)(C[NH3+])[C@@](C)(O)Cc1ccc(OC)c(OC)c1 ZINC000091919798 180286675 /nfs/dbraw/zinc/28/66/75/180286675.db2.gz DSZVVMIFMTXEFM-HOTGVXAUSA-N 1 0 281.396 2.372 10 0 CEAERO CC[C@@](O)(C1CC1)[C@@]1(C[NH3+])CCOc2ccccc21 ZINC000091921769 180286774 /nfs/dbraw/zinc/28/67/74/180286774.db2.gz YWUMBRMXFXJUPH-HZPDHXFCSA-N 1 0 261.365 2.217 10 0 CEAERO [NH3+]C[C@@]1([C@]2(O)CCCOCC2)CCc2ccccc2C1 ZINC000091922860 180286852 /nfs/dbraw/zinc/28/68/52/180286852.db2.gz DPDMOPDLHLMQLX-SJORKVTESA-N 1 0 275.392 2.052 10 0 CEAERO CCN1CCO[C@H](COc2ccc([C@@H](C)[NH2+]C)cc2)C1 ZINC000092051115 180312167 /nfs/dbraw/zinc/31/21/67/180312167.db2.gz IBNSUASBLVHSFN-CJNGLKHVSA-N 1 0 278.396 2.067 10 0 CEAERO CCC1CCC(C[NH3+])(OC[C@@H]2CN(CC)CCO2)CC1 ZINC000092050589 180312305 /nfs/dbraw/zinc/31/23/05/180312305.db2.gz CCOGNKNQSUZMNC-PCKAHOCUSA-N 1 0 284.444 2.021 10 0 CEAERO CC[C@@H]([NH2+]C)c1ccccc1OC[C@H]1CN(CC)CCO1 ZINC000092051113 180312341 /nfs/dbraw/zinc/31/23/41/180312341.db2.gz RSYKFIJXLQYAJP-GDBMZVCRSA-N 1 0 292.423 2.457 10 0 CEAERO CC[NH2+]Cc1cc(C)c(OC[C@@H]2CN(C)CCO2)c(C)c1 ZINC000092054028 180312849 /nfs/dbraw/zinc/31/28/49/180312849.db2.gz CNRMMGWPCLSLPU-INIZCTEOSA-N 1 0 292.423 2.122 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(OC[C@@H]2CN(C)CCO2)cc1 ZINC000092054167 180312964 /nfs/dbraw/zinc/31/29/64/180312964.db2.gz TXJOJXAACYMABS-CJNGLKHVSA-N 1 0 278.396 2.067 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)N2CCC(C)CC2)CC1 ZINC000091972087 180295457 /nfs/dbraw/zinc/29/54/57/180295457.db2.gz LWBPWYGNWHILPU-UHFFFAOYSA-N 1 0 267.417 2.301 10 0 CEAERO CCN(C(=O)N1CCCCCC1)C1CC[NH2+]CC1 ZINC000091971566 180295495 /nfs/dbraw/zinc/29/54/95/180295495.db2.gz DMUPDGPPSFTTNA-UHFFFAOYSA-N 1 0 253.390 2.056 10 0 CEAERO [NH3+]CC[C@@H]1CCCN(C(=O)N2CCCCCC2)C1 ZINC000091971653 180295498 /nfs/dbraw/zinc/29/54/98/180295498.db2.gz WJTXKQHUVGTZCH-ZDUSSCGKSA-N 1 0 253.390 2.043 10 0 CEAERO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)N2CCCCCC2)C1 ZINC000091971657 180295683 /nfs/dbraw/zinc/29/56/83/180295683.db2.gz ARZTZPJEHCJKNN-OLZOCXBDSA-N 1 0 253.390 2.042 10 0 CEAERO C[C@H]1CCCN(C(=O)N(C)C2(C[NH3+])CCCCC2)C1 ZINC000091972845 180296236 /nfs/dbraw/zinc/29/62/36/180296236.db2.gz IIPXSJJIBIYKRJ-ZDUSSCGKSA-N 1 0 267.417 2.432 10 0 CEAERO C[C@H]1CCCN(C(=O)N2CCC[C@H]2C2CC[NH2+]CC2)C1 ZINC000091973205 180296656 /nfs/dbraw/zinc/29/66/56/180296656.db2.gz ABCGKHKVHUKCDY-ZFWWWQNUSA-N 1 0 279.428 2.302 10 0 CEAERO CC[C@H]1CN(Cc2nc(C)ccc2O)[C@@H](CC)C[NH2+]1 ZINC000091996180 180302157 /nfs/dbraw/zinc/30/21/57/180302157.db2.gz CDGPSDWMWFFEKO-STQMWFEESA-N 1 0 263.385 2.058 10 0 CEAERO Cc1ccc(OCCOCC(F)(F)F)c(C[C@H](C)[NH3+])n1 ZINC000092000153 180303533 /nfs/dbraw/zinc/30/35/33/180303533.db2.gz RNDMSLJPXOKTLH-VIFPVBQESA-N 1 0 292.301 2.237 10 0 CEAERO CCCCOCCOc1ccc(C)nc1CC[NH3+] ZINC000091999737 180303607 /nfs/dbraw/zinc/30/36/07/180303607.db2.gz XQHXPUJOJMQSGY-UHFFFAOYSA-N 1 0 252.358 2.087 10 0 CEAERO Cc1ccc(C(=O)CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000092002062 180304303 /nfs/dbraw/zinc/30/43/03/180304303.db2.gz YWZIGGOVBFXFOT-CVEARBPZSA-N 1 0 272.392 2.346 10 0 CEAERO CCC[C@H](C)N(C)S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092115709 180327348 /nfs/dbraw/zinc/32/73/48/180327348.db2.gz XGFJHXPQQBHDBF-JTQLQIEISA-N 1 0 288.388 2.094 10 0 CEAERO CC[NH2+][C@H](Cc1ccn(C(C)C)n1)C(C)(C)OC ZINC000092139706 180333594 /nfs/dbraw/zinc/33/35/94/180333594.db2.gz ZBRKUPQYDFEAKC-CYBMUJFWSA-N 1 0 253.390 2.410 10 0 CEAERO CCC[NH2+][C@@H](Cc1ncnn1C(C)C)C(C)(C)OC ZINC000092140206 180333675 /nfs/dbraw/zinc/33/36/75/180333675.db2.gz GLFUXQCMGPLRPL-LBPRGKRZSA-N 1 0 268.405 2.195 10 0 CEAERO C[NH2+][C@H](c1ccc(OC)cc1OC)C(C)(C)OC ZINC000092138827 180333820 /nfs/dbraw/zinc/33/38/20/180333820.db2.gz HSZRVZZCHLJVNV-CYBMUJFWSA-N 1 0 253.342 2.389 10 0 CEAERO COC(C)(C)c1nc(C)c(C[NH2+]C(C)C)c(C)n1 ZINC000092141019 180333876 /nfs/dbraw/zinc/33/38/76/180333876.db2.gz CQLBQIOUODDBNH-UHFFFAOYSA-N 1 0 251.374 2.473 10 0 CEAERO CC[NH2+][C@@](C)(CCCC[N@@H+]1C[C@H](C)[C@H](C)C1)C(=O)[O-] ZINC000092087398 180321256 /nfs/dbraw/zinc/32/12/56/180321256.db2.gz YLYPSPNZEQIIGM-GUTXKFCHSA-N 1 0 270.417 2.197 10 0 CEAERO C[C@@H]1CN(c2ccc(C[NH2+]C(C)(C)C)nn2)C[C@H]1C ZINC000092089035 180321764 /nfs/dbraw/zinc/32/17/64/180321764.db2.gz FGFHXYLOARUYLX-VXGBXAGGSA-N 1 0 262.401 2.457 10 0 CEAERO CC[NH2+][C@H](CN1C(=O)[C@H](C)[C@H](C)C1=O)c1ccc(C)cc1 ZINC000092093968 180323011 /nfs/dbraw/zinc/32/30/11/180323011.db2.gz HBDROPZYTNEMMH-VNHYZAJKSA-N 1 0 288.391 2.287 10 0 CEAERO CC(C)N(Cc1ccccc1)C(=O)[C@@H]1C=C[C@H]([NH3+])C1 ZINC000092201426 180342702 /nfs/dbraw/zinc/34/27/02/180342702.db2.gz BSDPRRGWEQOOPW-CABCVRRESA-N 1 0 258.365 2.327 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)Nc2ccc(Br)cc2F)C1 ZINC000092201300 180342771 /nfs/dbraw/zinc/34/27/71/180342771.db2.gz ZWMJUAJGZBSODF-CBAPKCEASA-N 1 0 299.143 2.430 10 0 CEAERO Cc1c(Cl)cccc1NC(=O)[C@H]1C=C[C@H]([NH3+])C1 ZINC000092201209 180342872 /nfs/dbraw/zinc/34/28/72/180342872.db2.gz ZWLHFCVBPXQQFS-UWVGGRQHSA-N 1 0 250.729 2.490 10 0 CEAERO COc1cc(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)c(OC)cc1Cl ZINC000092201226 180343027 /nfs/dbraw/zinc/34/30/27/180343027.db2.gz PLZCDLWCTHOUON-BDAKNGLRSA-N 1 0 296.754 2.199 10 0 CEAERO CC(C)C(=O)Nc1cccc(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)c1 ZINC000092203475 180343273 /nfs/dbraw/zinc/34/32/73/180343273.db2.gz NVSGTIXMSJSPCX-NWDGAFQWSA-N 1 0 287.363 2.123 10 0 CEAERO CN(Cc1c(F)cccc1Cl)C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092204422 180343635 /nfs/dbraw/zinc/34/36/35/180343635.db2.gz WBDYHKJCZGVBDT-NXEZZACHSA-N 1 0 282.746 2.341 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)Nc2ccc(N3CCCC3)cc2)C1 ZINC000092203815 180343778 /nfs/dbraw/zinc/34/37/78/180343778.db2.gz WQHMHRNGTSOPJV-STQMWFEESA-N 1 0 271.364 2.129 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)Nc2cccc(N3CCCC3)c2)C1 ZINC000092204139 180343848 /nfs/dbraw/zinc/34/38/48/180343848.db2.gz QGMLKJXNPQMADN-QWHCGFSZSA-N 1 0 271.364 2.129 10 0 CEAERO C[C@H](NC(=O)[C@H]1C=C[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000092206669 180344194 /nfs/dbraw/zinc/34/41/94/180344194.db2.gz NBLGWWNHCNYNGI-XHVZSJERSA-N 1 0 264.756 2.421 10 0 CEAERO CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1C=C[C@H]([NH3+])C1 ZINC000092205277 180344314 /nfs/dbraw/zinc/34/43/14/180344314.db2.gz GBKGFJWTLXUVIQ-RYUDHWBXSA-N 1 0 280.318 2.217 10 0 CEAERO CCC[C@@H]1CN(C[C@@H]2COc3ccccc32)CC[NH2+]1 ZINC000092307219 180360125 /nfs/dbraw/zinc/36/01/25/180360125.db2.gz BPYBUNCXXIQOQL-ZIAGYGMSSA-N 1 0 260.381 2.237 10 0 CEAERO CCN(C(=O)[C@@H]1CSc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000092239398 180350808 /nfs/dbraw/zinc/35/08/08/180350808.db2.gz SSQFJASMEUYYQB-DGCLKSJQSA-N 1 0 276.405 2.086 10 0 CEAERO C[C@H]([NH3+])Cc1noc([C@H]2CSc3ccccc32)n1 ZINC000092240242 180351722 /nfs/dbraw/zinc/35/17/22/180351722.db2.gz NNTVDDGHZCUWPP-WPRPVWTQSA-N 1 0 261.350 2.197 10 0 CEAERO CN(C(=O)[C@@H]1CSc2ccccc21)[C@@H]1CCC[C@H]1C[NH3+] ZINC000092239719 180351847 /nfs/dbraw/zinc/35/18/47/180351847.db2.gz AIXWAUXXGOBNAZ-IACUBPJLSA-N 1 0 290.432 2.462 10 0 CEAERO CN(CC[NH2+]C1CC1)C[C@H]1Cc2ccccc2S1 ZINC000092262992 180355093 /nfs/dbraw/zinc/35/50/93/180355093.db2.gz HURHDEICVBRQFO-CQSZACIVSA-N 1 0 262.422 2.387 10 0 CEAERO Cn1ccnc1CC[NH2+]C[C@H]1CSc2ccccc21 ZINC000092275335 180356258 /nfs/dbraw/zinc/35/62/58/180356258.db2.gz MZELTBCYYUZKCW-LBPRGKRZSA-N 1 0 273.405 2.442 10 0 CEAERO CCOC(=O)CC[N@H+](C)C[C@@H]1COc2ccccc21 ZINC000092305685 180360496 /nfs/dbraw/zinc/36/04/96/180360496.db2.gz ZXXXUKMQMJUFIZ-GFCCVEGCSA-N 1 0 263.337 2.048 10 0 CEAERO C[NH2+]Cc1c(C)nn(C[C@H]2COc3ccccc32)c1C ZINC000092304772 180360585 /nfs/dbraw/zinc/36/05/85/180360585.db2.gz BBAXIIFJRIZDDE-ZDUSSCGKSA-N 1 0 271.364 2.396 10 0 CEAERO Cc1cccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1 ZINC000105883297 186082994 /nfs/dbraw/zinc/08/29/94/186082994.db2.gz SJPZRAZFCRPYOF-INIZCTEOSA-N 1 0 270.380 2.499 10 0 CEAERO CC(C)C[C@@H]1CN(C[C@@H]2COc3ccccc32)CC[NH2+]1 ZINC000092307227 180360834 /nfs/dbraw/zinc/36/08/34/180360834.db2.gz FJGWYKAMJYGCJK-HUUCEWRRSA-N 1 0 274.408 2.483 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](c2nc(Cc3ccccc3F)no2)C1 ZINC000092181566 180338814 /nfs/dbraw/zinc/33/88/14/180338814.db2.gz OPXXGSFXNDMLGG-GHMZBOCLSA-N 1 0 259.284 2.170 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](c2nc(C3Cc4ccccc4C3)no2)C1 ZINC000092182140 180338823 /nfs/dbraw/zinc/33/88/23/180338823.db2.gz MUABMLTVMCJWNI-GXTWGEPZSA-N 1 0 267.332 2.323 10 0 CEAERO CC(C)CCOCC[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105909967 186089868 /nfs/dbraw/zinc/08/98/68/186089868.db2.gz ZCTMMMSWMVRXLY-UHFFFAOYSA-N 1 0 292.427 2.416 10 0 CEAERO CC[NH2+]C[C@@H](C)Cc1c(C)nn(-c2cc(C)ncn2)c1C ZINC000092322847 180362195 /nfs/dbraw/zinc/36/21/95/180362195.db2.gz XECJYLQCVJZXHZ-NSHDSACASA-N 1 0 287.411 2.376 10 0 CEAERO CCOC(=O)CCC[NH2+]CCOc1ccccc1OC ZINC000105938375 186093375 /nfs/dbraw/zinc/09/33/75/186093375.db2.gz JMSFGGNSWQBRDR-UHFFFAOYSA-N 1 0 281.352 2.007 10 0 CEAERO Cc1nn(C)c(C)c1C[NH2+]CCC[C@@H]1CCCO1 ZINC000092330670 180363772 /nfs/dbraw/zinc/36/37/72/180363772.db2.gz LZIKEXYNDMQTDI-CYBMUJFWSA-N 1 0 251.374 2.086 10 0 CEAERO Cc1noc(C)c1CNCC[C@H]1CCCC[N@H+]1C ZINC000092339579 180365264 /nfs/dbraw/zinc/36/52/64/180365264.db2.gz XODDMOQIFZTIJI-CYBMUJFWSA-N 1 0 251.374 2.255 10 0 CEAERO COCC[N@@H+]1CCN(Cc2cccc(F)c2F)C[C@H]1C ZINC000106108903 186103119 /nfs/dbraw/zinc/10/31/19/186103119.db2.gz OFWBUHUXOJWPSO-GFCCVEGCSA-N 1 0 284.350 2.117 10 0 CEAERO Cc1noc(C)c1[C@@H](C)N1CCC[C@@H]([NH2+]C2CC2)C1=O ZINC000092341994 180365800 /nfs/dbraw/zinc/36/58/00/180365800.db2.gz LTFUWBXQAPLTIS-ZWNOBZJWSA-N 1 0 277.368 2.095 10 0 CEAERO Cc1noc(C)c1CN1C[C@@H](C(C)C)[NH2+]C[C@@H]1C ZINC000092342607 180366577 /nfs/dbraw/zinc/36/65/77/180366577.db2.gz FXYZASJQQNSIBE-HZMBPMFUSA-N 1 0 251.374 2.110 10 0 CEAERO NNc1cccc(CN2CC[C@H](c3ccccc3)C2)[nH+]1 ZINC000092369276 180370118 /nfs/dbraw/zinc/37/01/18/180370118.db2.gz AZZWICLTSXVGJV-AWEZNQCLSA-N 1 0 268.364 2.357 10 0 CEAERO CCNc1cccc(CN(C)C2CC[NH+](CC)CC2)n1 ZINC000092369348 180370266 /nfs/dbraw/zinc/37/02/66/180370266.db2.gz VUJJYKCLPVZWFJ-UHFFFAOYSA-N 1 0 276.428 2.430 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CCC(=O)NC(C)C ZINC000105895757 186086433 /nfs/dbraw/zinc/08/64/33/186086433.db2.gz HSZPARRCLGZFFD-AWEZNQCLSA-N 1 0 292.427 2.089 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@H](S(=O)(=O)CC(C)C)CC2 ZINC000092388604 180374540 /nfs/dbraw/zinc/37/45/40/180374540.db2.gz LWXRADHIVHKUBP-CABCVRRESA-N 1 0 297.420 2.081 10 0 CEAERO COCCS[C@@H]1CCc2ccc(OC)cc2[C@H]1[NH3+] ZINC000092389356 180375707 /nfs/dbraw/zinc/37/57/07/180375707.db2.gz ROOLMVGARLVAFT-ZIAGYGMSSA-N 1 0 267.394 2.389 10 0 CEAERO CC(C)[C@H](CO)[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000092400293 180377386 /nfs/dbraw/zinc/37/73/86/180377386.db2.gz VZECCDPMQCNVKA-STQMWFEESA-N 1 0 291.313 2.345 10 0 CEAERO OCC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccn1 ZINC000092407032 180380299 /nfs/dbraw/zinc/38/02/99/180380299.db2.gz OVVRPFGYFJADDQ-CYBMUJFWSA-N 1 0 254.761 2.472 10 0 CEAERO COc1ccc(CN(C)Cc2cc(N)cc[nH+]2)cc1 ZINC000092418562 180380850 /nfs/dbraw/zinc/38/08/50/180380850.db2.gz NYINOPORGIZKIQ-UHFFFAOYSA-N 1 0 257.337 2.304 10 0 CEAERO CN(Cc1cc(Cl)ccn1)C[C@H]1CC[N@H+](C)C1 ZINC000092416753 180381280 /nfs/dbraw/zinc/38/12/80/180381280.db2.gz NZVIQLDURBSSSR-NSHDSACASA-N 1 0 253.777 2.119 10 0 CEAERO CCCNc1cc[nH+]c(CN2CCn3ccnc3C2)c1 ZINC000092419102 180381804 /nfs/dbraw/zinc/38/18/04/180381804.db2.gz UBORTHGPEKFESX-UHFFFAOYSA-N 1 0 271.368 2.116 10 0 CEAERO CCCNc1cc[nH+]c(CSCC(=O)OC)c1 ZINC000092420902 180382225 /nfs/dbraw/zinc/38/22/25/180382225.db2.gz QWPOGECAKQCTMJ-UHFFFAOYSA-N 1 0 254.355 2.310 10 0 CEAERO CCOCCO[C@H]1CCc2ccc(OC)cc2[C@@H]1[NH2+]C ZINC000092386387 180373389 /nfs/dbraw/zinc/37/33/89/180373389.db2.gz AZVXEAARFGCLPV-HOTGVXAUSA-N 1 0 279.380 2.324 10 0 CEAERO CCOCCO[C@H]1CCc2ccc(OC)cc2[C@H]1[NH3+] ZINC000092386399 180373451 /nfs/dbraw/zinc/37/34/51/180373451.db2.gz QCUHETCOTWIWFH-LSDHHAIUSA-N 1 0 265.353 2.063 10 0 CEAERO COc1ccc2c(c1)[C@@](C[NH3+])(N1CCSCC1)CCC2 ZINC000092384591 180374094 /nfs/dbraw/zinc/37/40/94/180374094.db2.gz MWXRWLKSRRKPAG-MRXNPFEDSA-N 1 0 292.448 2.234 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@H](OCC1CCOCC1)CC2 ZINC000092386805 180374206 /nfs/dbraw/zinc/37/42/06/180374206.db2.gz LZSMHCQMHSBJFW-SJORKVTESA-N 1 0 291.391 2.453 10 0 CEAERO CC[C@H](C)N1C(=O)C[C@H]([NH2+][C@@H](C)C2CCCCC2)C1=O ZINC000107290422 186167287 /nfs/dbraw/zinc/16/72/87/186167287.db2.gz UMTYTZGUDHUZBK-OBJOEFQTSA-N 1 0 280.412 2.471 10 0 CEAERO CCOCC[N@@H+]1CCN(Cc2nc(C)cs2)C[C@H]1CC ZINC000130490188 365961566 /nfs/dbraw/zinc/96/15/66/365961566.db2.gz NERLVEHEPKJSIS-CQSZACIVSA-N 1 0 297.468 2.384 10 0 CEAERO Cc1nnc(-c2ccccc2NC(=O)C[NH2+]C(C)(C)C)o1 ZINC000092460645 180389621 /nfs/dbraw/zinc/38/96/21/180389621.db2.gz JNEADUOFDWIERE-UHFFFAOYSA-N 1 0 288.351 2.372 10 0 CEAERO CC(C)c1ccc(-c2nnc3n2C[C@H]([NH3+])CC3)cc1 ZINC000107820516 186193349 /nfs/dbraw/zinc/19/33/49/186193349.db2.gz PHQGEKKUEYWNFZ-CYBMUJFWSA-N 1 0 256.353 2.342 10 0 CEAERO COc1ccc(-c2cn3c(n2)[C@H](C)C[C@@H]([NH3+])C3)cc1OC ZINC000107827686 186194168 /nfs/dbraw/zinc/19/41/68/186194168.db2.gz JLUGXNOEJMQCLL-ZYHUDNBSSA-N 1 0 287.363 2.402 10 0 CEAERO CC[C@@H](C)C[NH2+][C@@H]1CC(=O)N(C2CCCCCC2)C1=O ZINC000107862976 186194986 /nfs/dbraw/zinc/19/49/86/186194986.db2.gz VJLJIXXQNAJOQJ-TZMCWYRMSA-N 1 0 280.412 2.472 10 0 CEAERO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)C3)cc1F ZINC000107926133 186198085 /nfs/dbraw/zinc/19/80/85/186198085.db2.gz MDWKEZKAPFCOEU-FUNVUKJBSA-N 1 0 265.328 2.322 10 0 CEAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccc2[nH]ccc2c1 ZINC000107594857 186180419 /nfs/dbraw/zinc/18/04/19/186180419.db2.gz PUERBOAVAMHPOJ-GFCCVEGCSA-N 1 0 271.364 2.192 10 0 CEAERO C[N@@H+]1CCC[C@H](Cn2c3ccncc3[nH]c2=S)C1 ZINC000092514498 180399508 /nfs/dbraw/zinc/39/95/08/180399508.db2.gz UCULLRBVJUATQY-JTQLQIEISA-N 1 0 262.382 2.436 10 0 CEAERO CC(C)=CCN1C[C@@H](C)O[C@@H](c2nc(C)no2)C1 ZINC000625907445 350597796 /nfs/dbraw/zinc/59/77/96/350597796.db2.gz WXXVQQHKXMJRFA-ZYHUDNBSSA-N 1 0 251.330 2.106 10 0 CEAERO C[NH2+][C@H](C)[C@H](c1nc(C[C@@H]2CCCO2)no1)C(C)C ZINC000109495923 186256715 /nfs/dbraw/zinc/25/67/15/186256715.db2.gz VFQRICSIYRMKNN-NTZNESFSSA-N 1 0 267.373 2.139 10 0 CEAERO C[NH2+][C@@H](C)[C@@H](c1nc(-c2ccncc2)no1)C(C)C ZINC000109498547 186256723 /nfs/dbraw/zinc/25/67/23/186256723.db2.gz SRPCJHKMIPZTMF-JQWIXIFHSA-N 1 0 260.341 2.479 10 0 CEAERO C[NH2+][C@@H](Cc1nc(-c2ccccn2)no1)C(C)(C)C ZINC000109497345 186257042 /nfs/dbraw/zinc/25/70/42/186257042.db2.gz KFTJTMYFTFJGGW-NSHDSACASA-N 1 0 260.341 2.308 10 0 CEAERO COc1ccc(-c2noc([C@H]3CCC[C@H]3[NH3+])n2)cc1 ZINC000109502983 186257520 /nfs/dbraw/zinc/25/75/20/186257520.db2.gz RJXPDOQDFJLGCJ-NWDGAFQWSA-N 1 0 259.309 2.340 10 0 CEAERO COc1cccc(Cc2noc(C[C@@H]([NH3+])C(C)C)n2)c1 ZINC000109513103 186258198 /nfs/dbraw/zinc/25/81/98/186258198.db2.gz LJGPMTGUTKPWIA-CYBMUJFWSA-N 1 0 275.352 2.195 10 0 CEAERO C[NH2+][C@@H](C)[C@H](C)c1nc(Cc2cccs2)no1 ZINC000109510481 186258238 /nfs/dbraw/zinc/25/82/38/186258238.db2.gz INWKQXDUMTXRMN-IUCAKERBSA-N 1 0 251.355 2.433 10 0 CEAERO C[NH2+][C@H](Cc1nc(Cc2nc(C)cs2)no1)C(C)C ZINC000109511083 186258645 /nfs/dbraw/zinc/25/86/45/186258645.db2.gz BTTAFTAPEKSIKN-SNVBAGLBSA-N 1 0 280.397 2.212 10 0 CEAERO CCC[C@@H](Cc1nc(-c2ncccc2C)no1)[NH2+]C ZINC000109519140 186258919 /nfs/dbraw/zinc/25/89/19/186258919.db2.gz BWMYQTGJHXVJKW-NSHDSACASA-N 1 0 260.341 2.371 10 0 CEAERO CC[C@@H](Cc1nc(Cc2ccc(OC)cc2)no1)[NH2+]C ZINC000109520847 186259055 /nfs/dbraw/zinc/25/90/55/186259055.db2.gz OCTAEDZBNBTPPQ-LBPRGKRZSA-N 1 0 275.352 2.210 10 0 CEAERO C[NH2+][C@@H]1CCC[C@H]1c1nc(-c2ncccc2C)no1 ZINC000109519061 186259254 /nfs/dbraw/zinc/25/92/54/186259254.db2.gz VDDSTGOHOOEHOR-GHMZBOCLSA-N 1 0 258.325 2.296 10 0 CEAERO C[NH2+][C@H](C)c1cccc(NC(=O)N[C@@H]2CCCOC2)c1 ZINC000109552737 186262474 /nfs/dbraw/zinc/26/24/74/186262474.db2.gz ZTWBMBQGWRKLPS-BXUZGUMPSA-N 1 0 277.368 2.268 10 0 CEAERO CC[NH2+][C@H]1C(=O)Nc2cc(OCc3ccco3)ccc21 ZINC000109573566 186264129 /nfs/dbraw/zinc/26/41/29/186264129.db2.gz RKHKCRMUBLPMRW-CQSZACIVSA-N 1 0 272.304 2.461 10 0 CEAERO CCC[NH2+][C@@H]1C(=O)Nc2cc(OC[C@H]3CCOC3)ccc21 ZINC000109576580 186264182 /nfs/dbraw/zinc/26/41/82/186264182.db2.gz OVXAPFODWHAEMA-NHYWBVRUSA-N 1 0 290.363 2.095 10 0 CEAERO COC[C@@H](C)N(C)c1cc(CO)[nH+]c2ccccc21 ZINC000109594539 186264588 /nfs/dbraw/zinc/26/45/88/186264588.db2.gz KDOQYVHOTZNHJR-LLVKDONJSA-N 1 0 260.337 2.198 10 0 CEAERO CCOC(=O)CN([C@@H](CC[NH3+])c1ccccc1)C1CC1 ZINC000109604468 186267547 /nfs/dbraw/zinc/26/75/47/186267547.db2.gz LDNHQGHYNYQNGQ-HNNXBMFYSA-N 1 0 276.380 2.104 10 0 CEAERO Cc1nnc(S[C@@H]2CCCCC[C@H]2C[NH3+])n1C ZINC000109687061 186268881 /nfs/dbraw/zinc/26/88/81/186268881.db2.gz RODFWICMWVBLDE-WDEREUQCSA-N 1 0 254.403 2.123 10 0 CEAERO CN(Cc1c(F)c(F)c(F)c(F)c1F)[C@H]1CC[NH2+]C1 ZINC000109387054 186250365 /nfs/dbraw/zinc/25/03/65/186250365.db2.gz ZGZVDHUZECMKOF-LURJTMIESA-N 1 0 280.240 2.176 10 0 CEAERO Cc1ccccc1C1CC([NH2+]CCc2nncn2C)C1 ZINC000109422059 186251254 /nfs/dbraw/zinc/25/12/54/186251254.db2.gz AWMCAKXBMDYCEW-UHFFFAOYSA-N 1 0 270.380 2.202 10 0 CEAERO CC[C@H]([NH2+]CCc1nncn1C)c1ccc(F)cc1 ZINC000109421337 186252126 /nfs/dbraw/zinc/25/21/26/186252126.db2.gz GYXNXURFVLMBOI-ZDUSSCGKSA-N 1 0 262.332 2.238 10 0 CEAERO Cc1cc(C2CCCC2)nc([C@@H](C)N2CC[NH2+]CC2)n1 ZINC000109475775 186254687 /nfs/dbraw/zinc/25/46/87/186254687.db2.gz BZBJMZLKDXENFB-CYBMUJFWSA-N 1 0 274.412 2.409 10 0 CEAERO C[C@H](c1nc(-c2ccccn2)cs1)N1CC[NH2+]CC1 ZINC000109471949 186254713 /nfs/dbraw/zinc/25/47/13/186254713.db2.gz YXESLBWIOYUCIN-LLVKDONJSA-N 1 0 274.393 2.171 10 0 CEAERO CCC[C@H](c1noc(-c2ccoc2)n1)N1CC[NH2+]CC1 ZINC000109475050 186254972 /nfs/dbraw/zinc/25/49/72/186254972.db2.gz KMCUUFLFMSDEFX-GFCCVEGCSA-N 1 0 276.340 2.076 10 0 CEAERO Cc1ccsc1-c1nc([C@H](C)N2CC[NH2+]CC2)no1 ZINC000109474120 186254993 /nfs/dbraw/zinc/25/49/93/186254993.db2.gz GCJGMMHTLRGRGQ-JTQLQIEISA-N 1 0 278.381 2.073 10 0 CEAERO C[C@H](c1noc(-c2cccc(Cl)c2)n1)N1CC[NH2+]CC1 ZINC000109473876 186255081 /nfs/dbraw/zinc/25/50/81/186255081.db2.gz JKWNGLFHFKJDDT-SNVBAGLBSA-N 1 0 292.770 2.356 10 0 CEAERO CC(C)(c1ncc(-c2ccccc2)cn1)N1CC[NH2+]CC1 ZINC000109476179 186255174 /nfs/dbraw/zinc/25/51/74/186255174.db2.gz RFLFSOLEXPSCLL-UHFFFAOYSA-N 1 0 282.391 2.284 10 0 CEAERO CCc1ccc(-c2nc([C@H](C)N3CC[NH2+]CC3)no2)cc1 ZINC000109474076 186255260 /nfs/dbraw/zinc/25/52/60/186255260.db2.gz LVSPQLABVCMLQH-LBPRGKRZSA-N 1 0 286.379 2.265 10 0 CEAERO CCOC(=O)[C@@](C)(N)CC[N@H+](CCC(C)C)C1CC1 ZINC000109956574 186281418 /nfs/dbraw/zinc/28/14/18/186281418.db2.gz ITGCKXUXRCYTQQ-HNNXBMFYSA-N 1 0 270.417 2.168 10 0 CEAERO Cc1nc(N2CC[C@@H]([NH+]3CCCCC3)C2)sc1CO ZINC000110276249 186289543 /nfs/dbraw/zinc/28/95/43/186289543.db2.gz HTWVXXZFMPESTE-GFCCVEGCSA-N 1 0 281.425 2.008 10 0 CEAERO CC[NH+](CC)[C@@H]1CCN(c2ccccc2C(N)=S)C1 ZINC000110278380 186290024 /nfs/dbraw/zinc/29/00/24/186290024.db2.gz GBBQHOSAIYTROL-GFCCVEGCSA-N 1 0 277.437 2.241 10 0 CEAERO CC[NH2+]Cc1ccc(OCCO)c(C(F)(F)F)c1 ZINC000110443789 186296680 /nfs/dbraw/zinc/29/66/80/186296680.db2.gz VDUDCMHJVWSOGH-UHFFFAOYSA-N 1 0 263.259 2.186 10 0 CEAERO CCc1nc(-c2ccc3c(c2)CCN3C)[nH+]c(NN)c1C ZINC000110477644 186299126 /nfs/dbraw/zinc/29/91/26/186299126.db2.gz QOAISACEHVANNC-UHFFFAOYSA-N 1 0 283.379 2.292 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](O[C@@H]1CCOC1)c1ccccc1OC ZINC000110525736 186301008 /nfs/dbraw/zinc/30/10/08/186301008.db2.gz NVBRKAQTKUFLGT-KYOSRNDESA-N 1 0 265.353 2.279 10 0 CEAERO C[NH2+][C@@H](CO[C@H]1CCOC1)c1cc2ccccc2o1 ZINC000110526854 186301173 /nfs/dbraw/zinc/30/11/73/186301173.db2.gz RSTGZZMMPGNFHL-STQMWFEESA-N 1 0 261.321 2.499 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)Cc2ccc(C[NH3+])cc2)o1 ZINC000110612787 186305620 /nfs/dbraw/zinc/30/56/20/186305620.db2.gz FRKXRPNZUJUQBX-LBPRGKRZSA-N 1 0 272.348 2.467 10 0 CEAERO COc1cc(N(CC[NH+](C)C)CC(C)C)c(N)cc1F ZINC000110627315 186307077 /nfs/dbraw/zinc/30/70/77/186307077.db2.gz JPRJCJLTLHLPQX-UHFFFAOYSA-N 1 0 283.391 2.441 10 0 CEAERO CCOc1cc(N2CCC[C@@H]2C[NH+](C)C)c(N)cc1F ZINC000110634609 186307818 /nfs/dbraw/zinc/30/78/18/186307818.db2.gz QRRHAMDBTAIJKS-LLVKDONJSA-N 1 0 281.375 2.337 10 0 CEAERO Cc1cc(C)cc(S(=O)(=O)N2CCC([C@H](C)[NH3+])CC2)c1 ZINC000110648358 186309752 /nfs/dbraw/zinc/30/97/52/186309752.db2.gz JSZCEFVLNYWQCT-ZDUSSCGKSA-N 1 0 296.436 2.051 10 0 CEAERO NC(=O)c1ccc(NCC[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000110793300 186325243 /nfs/dbraw/zinc/32/52/43/186325243.db2.gz CBRXVAAYQFUGNB-JTQLQIEISA-N 1 0 281.787 2.241 10 0 CEAERO CCC[C@]1(C(=O)N2CCC[C@H](C)CC2)CC[NH2+]C1 ZINC000110814531 186326222 /nfs/dbraw/zinc/32/62/22/186326222.db2.gz SSQVYCYEUPKIPZ-ZFWWWQNUSA-N 1 0 252.402 2.415 10 0 CEAERO COC(=O)[C@](N)(C[N@H+](C)CC1CCCC1)c1ccccc1 ZINC000110840552 186328868 /nfs/dbraw/zinc/32/88/68/186328868.db2.gz DMYAZLDSNOWLFV-KRWDZBQOSA-N 1 0 290.407 2.136 10 0 CEAERO Nc1ccc2[nH]c(CCSc3cnccn3)[nH+]c2c1 ZINC000110912437 186333005 /nfs/dbraw/zinc/33/30/05/186333005.db2.gz HABLMSNVOSVVKE-UHFFFAOYSA-N 1 0 271.349 2.270 10 0 CEAERO CN(Cc1noc(-c2ccc(F)cc2)n1)[C@H]1CCC[NH2+]C1 ZINC000110930093 186333085 /nfs/dbraw/zinc/33/30/85/186333085.db2.gz XVCPBJNYIPSWEI-ZDUSSCGKSA-N 1 0 290.342 2.060 10 0 CEAERO CCc1cc2c(ncnc2N(C)[C@@H]2CCC[NH2+]C2)s1 ZINC000110933143 186333356 /nfs/dbraw/zinc/33/33/56/186333356.db2.gz POZLNRWDFDZALT-SNVBAGLBSA-N 1 0 276.409 2.442 10 0 CEAERO CCN1CCC[C@H]1C[NH2+]Cc1[nH]nnc1-c1ccccc1 ZINC000110924289 186333601 /nfs/dbraw/zinc/33/36/01/186333601.db2.gz DXNFHVHIDYJCBK-AWEZNQCLSA-N 1 0 285.395 2.046 10 0 CEAERO Cc1cc(Cl)ccc1NC(=O)CN(C)[C@@H]1CCC[NH2+]C1 ZINC000110930269 186334025 /nfs/dbraw/zinc/33/40/25/186334025.db2.gz OWPITVLKSBCELG-CYBMUJFWSA-N 1 0 295.814 2.271 10 0 CEAERO CCCN(C(=O)c1cccn1CC)[C@@H]1CCC[NH2+]C1 ZINC000110940924 186334325 /nfs/dbraw/zinc/33/43/25/186334325.db2.gz XHNJQYPFNPHTKD-CYBMUJFWSA-N 1 0 263.385 2.112 10 0 CEAERO CCN([C@@H]1CCC[NH2+]C1)S(=O)(=O)c1cc(C)cc(C)c1 ZINC000110941400 186334702 /nfs/dbraw/zinc/33/47/02/186334702.db2.gz RRONGQMDJMQPHE-CQSZACIVSA-N 1 0 296.436 2.066 10 0 CEAERO CCCN(C(=O)c1cc(Cl)c[nH]1)[C@@H]1CCC[NH2+]C1 ZINC000110941058 186334796 /nfs/dbraw/zinc/33/47/96/186334796.db2.gz KRQGFHZCNMYCRQ-LLVKDONJSA-N 1 0 269.776 2.272 10 0 CEAERO CCCN(C(=O)c1cccs1)[C@H]1CCC[NH2+]C1 ZINC000110940602 186334915 /nfs/dbraw/zinc/33/49/15/186334915.db2.gz SKCLAMFYDNSTNC-NSHDSACASA-N 1 0 252.383 2.352 10 0 CEAERO CCCN(c1ccc(Cl)cc1C(N)=O)[C@@H]1CCC[NH2+]C1 ZINC000110948578 186335874 /nfs/dbraw/zinc/33/58/74/186335874.db2.gz YVWFSLPWJIJIDG-GFCCVEGCSA-N 1 0 295.814 2.407 10 0 CEAERO CCCN(Cc1c(C)nn(C)c1Cl)[C@H]1CCC[NH2+]C1 ZINC000110945416 186335986 /nfs/dbraw/zinc/33/59/86/186335986.db2.gz QKNXXRYVAQDVPH-LBPRGKRZSA-N 1 0 284.835 2.346 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(C)cc1O[C@H]1CCCCNC1=O ZINC000110959958 186336278 /nfs/dbraw/zinc/33/62/78/186336278.db2.gz REKVFULCJJBSNV-JSGCOSHPSA-N 1 0 276.380 2.323 10 0 CEAERO Cc1ccc([C@H](C)[NH3+])c(OCC(=O)OC(C)C)c1 ZINC000110957781 186336759 /nfs/dbraw/zinc/33/67/59/186336759.db2.gz FSLQZUGBCONGGT-NSHDSACASA-N 1 0 251.326 2.345 10 0 CEAERO COC[C@@H](C)[NH2+]CCOc1ccc(SC)cc1 ZINC000110986058 186338592 /nfs/dbraw/zinc/33/85/92/186338592.db2.gz CNTRCJQOHBGZPF-LLVKDONJSA-N 1 0 255.383 2.412 10 0 CEAERO C[C@@H]1CN(Cc2c(N)cccc2Br)CC[N@@H+]1C ZINC000110700660 186313864 /nfs/dbraw/zinc/31/38/64/186313864.db2.gz GGDTYDREGBZZFH-SNVBAGLBSA-N 1 0 298.228 2.167 10 0 CEAERO CCOc1ccc(N)cc1CN1CC[N@H+](C)[C@@H](CC)C1 ZINC000110703546 186314665 /nfs/dbraw/zinc/31/46/65/186314665.db2.gz ZGGUABKYFAUSAB-HNNXBMFYSA-N 1 0 277.412 2.194 10 0 CEAERO CC[C@H]1CN(Cc2cc([C@@H](C)O)ccc2OC)CC[N@@H+]1C ZINC000110736010 186316877 /nfs/dbraw/zinc/31/68/77/186316877.db2.gz PZOBGGCVDCFLNM-CJNGLKHVSA-N 1 0 292.423 2.275 10 0 CEAERO CCc1ccc([C@@H](O)C[N@@H+]2CCN(C)C(C)(C)C2)cc1 ZINC000110736294 186318013 /nfs/dbraw/zinc/31/80/13/186318013.db2.gz QVMXLLQLTVFMRJ-INIZCTEOSA-N 1 0 276.424 2.308 10 0 CEAERO CCNc1cc(CN2CC[N@H+](C)C(C)(C)C2)ccn1 ZINC000110743246 186318415 /nfs/dbraw/zinc/31/84/15/186318415.db2.gz XOKWFKVLPUAWIK-UHFFFAOYSA-N 1 0 262.401 2.039 10 0 CEAERO CCOC(=O)c1cc(C)sc1NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000110777641 186322749 /nfs/dbraw/zinc/32/27/49/186322749.db2.gz YHDSLRXRDVDIBV-CQSZACIVSA-N 1 0 296.392 2.171 10 0 CEAERO CCOC(CCN1CC[NH+](C(C)(C)C)CC1)OCC ZINC000110785189 186324602 /nfs/dbraw/zinc/32/46/02/186324602.db2.gz JHNBDBCVDCKNDC-UHFFFAOYSA-N 1 0 272.433 2.192 10 0 CEAERO CS(=O)(=O)CCS[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000111003955 186341613 /nfs/dbraw/zinc/34/16/13/186341613.db2.gz SCJVRKZXJAVWCV-NSHDSACASA-N 1 0 293.841 2.118 10 0 CEAERO C[NH2+][C@H](C)c1c(F)cccc1SCCS(C)(=O)=O ZINC000111005133 186342203 /nfs/dbraw/zinc/34/22/03/186342203.db2.gz UIMNOOLHUAIVAR-SECBINFHSA-N 1 0 291.413 2.243 10 0 CEAERO CN(C[C@@H]1CCCO1)[C@@H](C[NH3+])c1cccc(F)c1F ZINC000111039515 186346447 /nfs/dbraw/zinc/34/64/47/186346447.db2.gz LMJUGDPTOXLYPQ-GWCFXTLKSA-N 1 0 270.323 2.075 10 0 CEAERO C[C@@H](N)[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111154410 186360819 /nfs/dbraw/zinc/36/08/19/186360819.db2.gz UKZNCLFGKQCVRV-IJEWVQPXSA-N 1 0 262.397 2.433 10 0 CEAERO CC[NH2+][C@@H]1CCCC[C@@H]1N(C)C[C@@H]1CCCOC1 ZINC000111160363 186362705 /nfs/dbraw/zinc/36/27/05/186362705.db2.gz VMXLMCHVGKJFCL-ZNMIVQPWSA-N 1 0 254.418 2.266 10 0 CEAERO CN(C[C@@H]1CCCOC1)c1ccc(Cl)cc1C(N)=[NH2+] ZINC000111164005 186363327 /nfs/dbraw/zinc/36/33/27/186363327.db2.gz DMYFYDSSFVTSCT-JTQLQIEISA-N 1 0 281.787 2.487 10 0 CEAERO [NH3+]CCCCCCC(=O)NC[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000111086119 186352128 /nfs/dbraw/zinc/35/21/28/186352128.db2.gz DEUSULCPSRKCQI-BFHYXJOUSA-N 1 0 252.402 2.448 10 0 CEAERO CCCOCCOC[C@@H]([NH2+]C)c1ccc2c(c1)OCCO2 ZINC000111107883 186352250 /nfs/dbraw/zinc/35/22/50/186352250.db2.gz PRTQDHOZMABAIY-CQSZACIVSA-N 1 0 295.379 2.162 10 0 CEAERO CCCOCCOCCCOc1ccc(C[NH3+])cc1 ZINC000111106463 186352647 /nfs/dbraw/zinc/35/26/47/186352647.db2.gz ZVZNIITVORQEDI-UHFFFAOYSA-N 1 0 267.369 2.357 10 0 CEAERO CCCOCCOC[C@H]([NH2+]C)c1ccc(OC)c(OC)c1 ZINC000111107890 186352650 /nfs/dbraw/zinc/35/26/50/186352650.db2.gz XYUXISPWDHXQKL-AWEZNQCLSA-N 1 0 297.395 2.408 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1ccncn1)c1ccccn1 ZINC000111113470 186353379 /nfs/dbraw/zinc/35/33/79/186353379.db2.gz NFUXPUFDOVJBHB-GWCFXTLKSA-N 1 0 260.366 2.442 10 0 CEAERO CCCC1(C(=O)N(CC)CCOCC)CC[NH2+]CC1 ZINC000111124953 186354580 /nfs/dbraw/zinc/35/45/80/186354580.db2.gz PYYXFTFPMZLRFE-UHFFFAOYSA-N 1 0 270.417 2.041 10 0 CEAERO CCOCCN(CC)[C@@H](C[NH3+])c1cccc(OCC)c1 ZINC000111117275 186354862 /nfs/dbraw/zinc/35/48/62/186354862.db2.gz PJOCWQNUJJQMPW-INIZCTEOSA-N 1 0 280.412 2.444 10 0 CEAERO COc1ccc([C@H](N)C[N@H+](C)CC2CCOCC2)cc1 ZINC000111161940 186363476 /nfs/dbraw/zinc/36/34/76/186363476.db2.gz MMYYNMZKDQFXDC-MRXNPFEDSA-N 1 0 278.396 2.053 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1cccnc1)N(C)C[C@@H]1CCCOC1 ZINC000111154329 186360354 /nfs/dbraw/zinc/36/03/54/186360354.db2.gz ROEVTLKJPWNLKX-CWRNSKLLSA-N 1 0 277.412 2.218 10 0 CEAERO C[N@H+](CC1CCOCC1)[C@H]1CCc2ccccc2[C@@H]1N ZINC000111162105 186363979 /nfs/dbraw/zinc/36/39/79/186363979.db2.gz SDHPUMXSORDLKT-IRXDYDNUSA-N 1 0 274.408 2.360 10 0 CEAERO C[NH2+]Cc1nc(N(C)C[C@@H]2CCCOC2)ccc1Cl ZINC000111173951 186364684 /nfs/dbraw/zinc/36/46/84/186364684.db2.gz WDXQYMQQIDPOJH-NSHDSACASA-N 1 0 283.803 2.317 10 0 CEAERO Cc1nc(N(C)C[C@H]2CCCOC2)sc1[C@@H](C)[NH3+] ZINC000111177016 186364920 /nfs/dbraw/zinc/36/49/20/186364920.db2.gz LJBJCROVKCWJIS-MWLCHTKSSA-N 1 0 269.414 2.334 10 0 CEAERO CCNc1ncccc1C[N@H+](C)C[C@@H]1CCCOC1 ZINC000111170711 186365356 /nfs/dbraw/zinc/36/53/56/186365356.db2.gz FOLJUZDJWLMWBG-ZDUSSCGKSA-N 1 0 263.385 2.372 10 0 CEAERO CC[C@@H]([NH3+])Cc1noc([C@@H]2CCOc3ccccc32)n1 ZINC000111189447 186367340 /nfs/dbraw/zinc/36/73/40/186367340.db2.gz GIXKABXSAWIGIM-ZYHUDNBSSA-N 1 0 273.336 2.264 10 0 CEAERO CCN(c1ccc(F)cc1)[C@@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111321122 186396565 /nfs/dbraw/zinc/39/65/65/186396565.db2.gz ZLPQNACFFAHLHK-DOMZBBRYSA-N 1 0 266.360 2.406 10 0 CEAERO C[NH2+]C[C@@]1(CN2c3ccccc3C[C@@H]2C)CCCOC1 ZINC000111324224 186397203 /nfs/dbraw/zinc/39/72/03/186397203.db2.gz VSNLFCXTEQPSLP-WMLDXEAASA-N 1 0 274.408 2.454 10 0 CEAERO C[NH2+]C[C@]1(CN(C)c2cccc(OC)c2)CCCOC1 ZINC000111326787 186398067 /nfs/dbraw/zinc/39/80/67/186398067.db2.gz UCWOIEDSRKOMPB-INIZCTEOSA-N 1 0 278.396 2.148 10 0 CEAERO CC[NH2+]C[C@]1(CN(C)Cc2ccco2)CCCOC1 ZINC000111325132 186398177 /nfs/dbraw/zinc/39/81/77/186398177.db2.gz WCXLZPURKKHCFR-HNNXBMFYSA-N 1 0 266.385 2.118 10 0 CEAERO CC[N@H+](Cc1ccccc1)C[C@@]1(CO)CCCOC1 ZINC000111331099 186399825 /nfs/dbraw/zinc/39/98/25/186399825.db2.gz OBBVRQDDGHLRCJ-MRXNPFEDSA-N 1 0 263.381 2.298 10 0 CEAERO Cc1nn(-c2ccccn2)c2ncc(C[NH2+]C3CC3)cc12 ZINC000111339780 186401862 /nfs/dbraw/zinc/40/18/62/186401862.db2.gz ZAKWBMNRRODBPF-UHFFFAOYSA-N 1 0 279.347 2.376 10 0 CEAERO CCCOCc1noc([C@@H](CC)[C@H](C)[NH2+]CC)n1 ZINC000111234917 186373388 /nfs/dbraw/zinc/37/33/88/186373388.db2.gz HSULCUCQWWHHID-QWRGUYRKSA-N 1 0 255.362 2.488 10 0 CEAERO CC1CCC(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000111243256 186374337 /nfs/dbraw/zinc/37/43/37/186374337.db2.gz QNLDFVXVWLNYGP-RTYFJBAXSA-N 1 0 278.318 2.223 10 0 CEAERO FC(F)(F)[C@]1(c2nc3ccccc3[nH]2)CC[NH2+]C1 ZINC000111239750 186375033 /nfs/dbraw/zinc/37/50/33/186375033.db2.gz QKYQBXMEGQYLJV-LLVKDONJSA-N 1 0 255.243 2.356 10 0 CEAERO FC(F)(F)[C@@]1(c2n[nH]c(C3CCCC3)n2)CC[NH2+]C1 ZINC000111241363 186375100 /nfs/dbraw/zinc/37/51/00/186375100.db2.gz NMOARXKXYYGGBX-NSHDSACASA-N 1 0 274.290 2.256 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccccc1OC(F)(F)F ZINC000111263166 186381001 /nfs/dbraw/zinc/38/10/01/186381001.db2.gz KOXZNVZRRKHSKB-IUCAKERBSA-N 1 0 288.269 2.379 10 0 CEAERO Cc1nc2ccc(NC(=O)[C@H]3C[NH2+]C[C@H]3C)cc2s1 ZINC000111265088 186381304 /nfs/dbraw/zinc/38/13/04/186381304.db2.gz RLPGGXDEKWIRJF-KCJUWKMLSA-N 1 0 275.377 2.399 10 0 CEAERO CC(C)OC(=O)c1ccc(NC(=O)[C@@H]2C[NH2+]C[C@@H]2C)cc1 ZINC000111265151 186381344 /nfs/dbraw/zinc/38/13/44/186381344.db2.gz SIJZNSJKNRRJHY-SMDDNHRTSA-N 1 0 290.363 2.046 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000111263892 186381437 /nfs/dbraw/zinc/38/14/37/186381437.db2.gz PKSAXEAXZHRZGC-YOEHRIQHSA-N 1 0 286.419 2.323 10 0 CEAERO CCc1ccc([C@H](C)NC(=O)[C@@H]2C[NH2+]C[C@@H]2C)cc1 ZINC000111265155 186381602 /nfs/dbraw/zinc/38/16/02/186381602.db2.gz YKTZAEMEMQDABZ-SLEUVZQESA-N 1 0 260.381 2.282 10 0 CEAERO CC(C)C(=O)Nc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@@H]2C)cc1 ZINC000111265128 186382079 /nfs/dbraw/zinc/38/20/79/186382079.db2.gz QBIGGMLCQDZBQI-SMDDNHRTSA-N 1 0 289.379 2.075 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(OC(F)F)cc1 ZINC000111263877 186382162 /nfs/dbraw/zinc/38/21/62/186382162.db2.gz LAZYWBAWPMYTMB-KCJUWKMLSA-N 1 0 270.279 2.082 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc(OC(F)F)c1 ZINC000111265705 186382174 /nfs/dbraw/zinc/38/21/74/186382174.db2.gz PUIWOWYTEURUGV-LDYMZIIASA-N 1 0 270.279 2.082 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)N(Cc1ccco1)C1CCCC1 ZINC000111268770 186384021 /nfs/dbraw/zinc/38/40/21/186384021.db2.gz HSHVTXMDVAICQU-WFASDCNBSA-N 1 0 276.380 2.406 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000111268708 186384479 /nfs/dbraw/zinc/38/44/79/186384479.db2.gz VCUIXMIAEYGIIF-XHDPSFHLSA-N 1 0 276.355 2.172 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000111272592 186385062 /nfs/dbraw/zinc/38/50/62/186385062.db2.gz FXQQKGPODXXZBM-SKDRFNHKSA-N 1 0 286.297 2.177 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)N1CCC2(CCCC2)CC1 ZINC000111272823 186385331 /nfs/dbraw/zinc/38/53/31/186385331.db2.gz OJQRBEMXLUYOMA-QWHCGFSZSA-N 1 0 250.386 2.025 10 0 CEAERO Cc1ccccc1CN(C)C(=O)c1ccc(C[NH3+])cn1 ZINC000111281500 186387952 /nfs/dbraw/zinc/38/79/52/186387952.db2.gz HYDKLIUEDSNUCQ-UHFFFAOYSA-N 1 0 269.348 2.121 10 0 CEAERO CC(C)CCC[C@@H](C)NC(=O)c1ccc(C[NH3+])cn1 ZINC000111281801 186388303 /nfs/dbraw/zinc/38/83/03/186388303.db2.gz HECOQHMPMUVJFR-GFCCVEGCSA-N 1 0 263.385 2.485 10 0 CEAERO CC[C@@H]([NH3+])CNC(=O)[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000111303708 186393696 /nfs/dbraw/zinc/39/36/96/186393696.db2.gz JPSLHKSCWFFJHT-QLFBSQMISA-N 1 0 276.380 2.008 10 0 CEAERO CCN(C)c1c(CC[NH3+])c(C)nn1-c1ccccc1 ZINC000111478999 186422196 /nfs/dbraw/zinc/42/21/96/186422196.db2.gz QESFBNCSCDTJDM-UHFFFAOYSA-N 1 0 258.369 2.138 10 0 CEAERO Cc1nn(C)c(N(C)c2ccc(C)cc2)c1CC[NH3+] ZINC000111484272 186422279 /nfs/dbraw/zinc/42/22/79/186422279.db2.gz JPPGOAPCOUJVOW-UHFFFAOYSA-N 1 0 258.369 2.306 10 0 CEAERO C[C@H]([NH3+])Cc1ccccc1N(C)CC1CCOCC1 ZINC000111497586 186423888 /nfs/dbraw/zinc/42/38/88/186423888.db2.gz JCDNVFUYKYZKHW-ZDUSSCGKSA-N 1 0 262.397 2.439 10 0 CEAERO Cc1nn(C)c(Oc2cccc(N(C)C)c2)c1C[C@H](C)[NH3+] ZINC000111524381 186425521 /nfs/dbraw/zinc/42/55/21/186425521.db2.gz XIJNBTMOBMCWCU-NSHDSACASA-N 1 0 288.395 2.477 10 0 CEAERO CC[C@H]([NH3+])Cc1c(C)nn(C)c1-n1nc(C)c(Cl)c1C ZINC000111513387 186425686 /nfs/dbraw/zinc/42/56/86/186425686.db2.gz CTSHJAIDBMRHEL-NSHDSACASA-N 1 0 295.818 2.464 10 0 CEAERO C[C@@H]1C[C@@H](C(=O)NCC2(C)CCCC2)CC[C@@H]1[NH3+] ZINC000111624571 186433141 /nfs/dbraw/zinc/43/31/41/186433141.db2.gz ZAJZZXLBXDNYHU-AGIUHOORSA-N 1 0 252.402 2.446 10 0 CEAERO C[C@H]1CCC[C@H](C(=O)NCCOC2CCCCC2)[C@@H]1[NH3+] ZINC000111651212 186437026 /nfs/dbraw/zinc/43/70/26/186437026.db2.gz SUHFSYHZZSSPNR-AEGPPILISA-N 1 0 282.428 2.215 10 0 CEAERO CC(C)(C)[NH2+]C[C@@H]1CCCN(S(=O)(=O)C(C)(C)C)C1 ZINC000111719788 186449805 /nfs/dbraw/zinc/44/98/05/186449805.db2.gz NMOHBFYQUYRWFP-LBPRGKRZSA-N 1 0 290.473 2.215 10 0 CEAERO O=C(NCCOC1CC[NH2+]CC1)Nc1cccc(Cl)c1 ZINC000111789462 186457027 /nfs/dbraw/zinc/45/70/27/186457027.db2.gz PXKKCHMBDDZLFS-UHFFFAOYSA-N 1 0 297.786 2.230 10 0 CEAERO Cc1ccc(C(=O)N2CCC[C@H]2CCC[NH3+])c(O)c1 ZINC000111370946 186408321 /nfs/dbraw/zinc/40/83/21/186408321.db2.gz YQFFMVIHBVXWBP-GFCCVEGCSA-N 1 0 262.353 2.044 10 0 CEAERO COc1ccc(C(=O)NC2(C[NH3+])CCC(C)CC2)cc1F ZINC000111370431 186408874 /nfs/dbraw/zinc/40/88/74/186408874.db2.gz CSPPHASGBCBZOK-UHFFFAOYSA-N 1 0 294.370 2.472 10 0 CEAERO CC1CCC(C[NH3+])(Nc2ncnc3c2CCC3)CC1 ZINC000111379124 186409866 /nfs/dbraw/zinc/40/98/66/186409866.db2.gz YLGTUYINRUATOT-UHFFFAOYSA-N 1 0 260.385 2.285 10 0 CEAERO CC[N@H+](C[C@H](O)COCc1ccccc1)CC1CC1 ZINC000070015499 363020343 /nfs/dbraw/zinc/02/03/43/363020343.db2.gz IQILHARFPJUQCD-INIZCTEOSA-N 1 0 263.381 2.296 10 0 CEAERO CO[C@@H]1C[NH2+][C@@](C)(c2nc(-c3ccccc3F)no2)C1 ZINC000629677876 351465048 /nfs/dbraw/zinc/46/50/48/351465048.db2.gz CMFDBCLNYQTTIW-LKFCYVNXSA-N 1 0 277.299 2.099 10 0 CEAERO CCN1CCC[C@H]([NH2+]Cc2ccc(Br)cn2)C1 ZINC000070396502 363078485 /nfs/dbraw/zinc/07/84/85/363078485.db2.gz OWGPXXJATOGLJT-ZDUSSCGKSA-N 1 0 298.228 2.418 10 0 CEAERO C[C@@H]1CN(C(=O)c2cscc2C(F)(F)F)C[C@H]1C[NH3+] ZINC000630093700 351616609 /nfs/dbraw/zinc/61/66/09/351616609.db2.gz PDRGWMRXABKVSE-HTQZYQBOSA-N 1 0 292.326 2.434 10 0 CEAERO CO[C@@H]1CN(CCCOCc2ccccc2)[C@](C)(C[NH3+])C1 ZINC000630364191 351713194 /nfs/dbraw/zinc/71/31/94/351713194.db2.gz DNHGSJWMQYHJQF-IRXDYDNUSA-N 1 0 292.423 2.031 10 0 CEAERO CC(C)(C)[N@H+](CC(N)=O)Cc1ccc2ccccc2n1 ZINC000131451314 366055427 /nfs/dbraw/zinc/05/54/27/366055427.db2.gz JZWQHTTUERCYJG-UHFFFAOYSA-N 1 0 271.364 2.321 10 0 CEAERO C[C@]12C[NH2+]C[C@@]1(C)CN(c1nc3ccccc3o1)C2 ZINC000630538942 351777324 /nfs/dbraw/zinc/77/73/24/351777324.db2.gz RYKKUBFDMFVSBE-GASCZTMLSA-N 1 0 257.337 2.264 10 0 CEAERO [NH3+][C@H]1CCCCCN(c2nnc(C(F)(F)F)s2)C1 ZINC000630548632 351779990 /nfs/dbraw/zinc/77/99/90/351779990.db2.gz HLEJDCKWFNKQDL-ZETCQYMHSA-N 1 0 280.319 2.265 10 0 CEAERO CC(C)Oc1cncc(N[C@H]2CC[C@H](C[NH3+])CC2)n1 ZINC000630558027 351785429 /nfs/dbraw/zinc/78/54/29/351785429.db2.gz JSTZBNUJZJVZMW-HAQNSBGRSA-N 1 0 264.373 2.193 10 0 CEAERO CC[C@@H]1CC[N@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000131594122 366068478 /nfs/dbraw/zinc/06/84/78/366068478.db2.gz ZDUOJNXKTLZJBM-ZBFHGGJFSA-N 1 0 263.381 2.296 10 0 CEAERO Cc1sc2ncnc(N3C[C@@H](C[NH3+])[C@H](C)C3)c2c1C ZINC000630566745 351787959 /nfs/dbraw/zinc/78/79/59/351787959.db2.gz FYHBQKCXDHORAR-LDYMZIIASA-N 1 0 276.409 2.339 10 0 CEAERO C[C@H]1CN(c2ncc(Cl)cc2Cl)C[C@@H]1C[NH3+] ZINC000630573560 351789190 /nfs/dbraw/zinc/78/91/90/351789190.db2.gz UYQFAXGZFYJLPU-YUMQZZPRSA-N 1 0 260.168 2.419 10 0 CEAERO Cc1cnc(N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)nc1C ZINC000630525275 351772545 /nfs/dbraw/zinc/77/25/45/351772545.db2.gz CWGGQKQTUMLFIT-MNOVXSKESA-N 1 0 288.317 2.057 10 0 CEAERO [NH3+]C1(CNc2ncccc2C(F)(F)F)CCOCC1 ZINC000630525566 351772698 /nfs/dbraw/zinc/77/26/98/351772698.db2.gz GUEWDTKJNFTYNA-UHFFFAOYSA-N 1 0 275.274 2.020 10 0 CEAERO [NH3+]C[C@H]1CN(c2ncncc2Cl)CC[C@H]1C(F)(F)F ZINC000630527229 351773423 /nfs/dbraw/zinc/77/34/23/351773423.db2.gz PPXFTZHEEKXSMY-JGVFFNPUSA-N 1 0 294.708 2.094 10 0 CEAERO COc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)N1CCOCC1 ZINC000123340707 187085812 /nfs/dbraw/zinc/08/58/12/187085812.db2.gz VFTDWFUKBACKIZ-ZIAGYGMSSA-N 1 0 278.396 2.067 10 0 CEAERO Cc1ccccc1CCNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000094183564 539870821 /nfs/dbraw/zinc/87/08/21/539870821.db2.gz GPHSQSYTDJSTTN-GJZGRUSLSA-N 1 0 260.381 2.029 10 0 CEAERO C[C@H](C[C@H]1COCCN1)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000133571621 187693842 /nfs/dbraw/zinc/69/38/42/187693842.db2.gz IVABATPKWNXZGI-MDZLAQPJSA-N 1 0 284.350 2.382 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CCc2ccccc2CC1 ZINC000094648568 539883861 /nfs/dbraw/zinc/88/38/61/539883861.db2.gz RNHRDLZRKZWJKB-CJNGLKHVSA-N 1 0 272.392 2.002 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC000252649647 539884946 /nfs/dbraw/zinc/88/49/46/539884946.db2.gz XJAFXPKTIOKFQT-YJNKXOJESA-N 1 0 254.418 2.121 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@H](C)c2sccc2C)C1 ZINC000252744196 539897607 /nfs/dbraw/zinc/89/76/07/539897607.db2.gz RFBJBOYUDMFCCB-CHWSQXEVSA-N 1 0 268.426 2.428 10 0 CEAERO CC[C@@H]1CN2CCCC[C@H]2C[N@@H+]1C[C@@H]1CCCO1 ZINC000252692648 539893344 /nfs/dbraw/zinc/89/33/44/539893344.db2.gz AQHGKJFKKKSHGE-ILXRZTDVSA-N 1 0 252.402 2.114 10 0 CEAERO Cc1occc1CN(C)C(=O)C1CCC([NH3+])CC1 ZINC000042449888 539971588 /nfs/dbraw/zinc/97/15/88/539971588.db2.gz LSZYRXDNBHRYSW-UHFFFAOYSA-N 1 0 250.342 2.064 10 0 CEAERO CCC[C@H](C(=O)N[C@@H](C)CNc1ccccc1)[NH+](C)C ZINC000153975641 188115542 /nfs/dbraw/zinc/11/55/42/188115542.db2.gz XCBLYAFOSAIBMU-DZGCQCFKSA-N 1 0 277.412 2.334 10 0 CEAERO CCC[C@@H](C(=O)N1CCN(c2cccs2)CC1)[NH+](C)C ZINC000154061406 188120892 /nfs/dbraw/zinc/12/08/92/188120892.db2.gz CZJXILUJMLUEOQ-ZDUSSCGKSA-N 1 0 295.452 2.127 10 0 CEAERO Cc1ncc(/C=C/C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)s1 ZINC000155289149 188195902 /nfs/dbraw/zinc/19/59/02/188195902.db2.gz YEYKANDQYSEDGA-YNVXZPTESA-N 1 0 293.436 2.310 10 0 CEAERO Cc1nc(C)c(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)s1 ZINC000155313290 188198420 /nfs/dbraw/zinc/19/84/20/188198420.db2.gz OJHYWFHRFOQHIN-CABZTGNLSA-N 1 0 281.425 2.218 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(F)cc2)C1 ZINC000155754494 188225699 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C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C1CC1 ZINC000073654702 363239578 /nfs/dbraw/zinc/23/95/78/363239578.db2.gz PAEVCKQQJMQJBA-CMPLNLGQSA-N 1 0 254.374 2.384 10 0 CEAERO Cn1cc([C@H]2CCCN2CC[NH+]2CCCCC2)cn1 ZINC000132276658 366132374 /nfs/dbraw/zinc/13/23/74/366132374.db2.gz JUPUWXHYJWOVPJ-OAHLLOKOSA-N 1 0 262.401 2.043 10 0 CEAERO C[C@@H]1CCC[C@H](C[N@@H+]2CCO[C@H](Cn3cccn3)C2)C1 ZINC000133396083 366218784 /nfs/dbraw/zinc/21/87/84/366218784.db2.gz MGEULEDXIREOHZ-PMPSAXMXSA-N 1 0 277.412 2.410 10 0 CEAERO Cc1cc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])c(C)s1 ZINC000157726594 540043718 /nfs/dbraw/zinc/04/37/18/540043718.db2.gz KUQFCMKCUDTLEN-PWSUYJOCSA-N 1 0 252.383 2.222 10 0 CEAERO Cn1nc(NC(=O)OC(C)(C)C)cc1C[NH2+]C1CC1 ZINC000675051659 540065305 /nfs/dbraw/zinc/06/53/05/540065305.db2.gz WQUVECSHPPRHTP-UHFFFAOYSA-N 1 0 266.345 2.019 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@H]2CCC23CCCC3)C1 ZINC000682731882 540148688 /nfs/dbraw/zinc/14/86/88/540148688.db2.gz DCNRJBZNYRSVCV-KGLIPLIRSA-N 1 0 252.402 2.020 10 0 CEAERO CC1CCN(c2ccc(NC(=O)C3C[NH2+]C3)cc2)CC1 ZINC000091407891 535285933 /nfs/dbraw/zinc/28/59/33/535285933.db2.gz LHFGJGNYUASMRK-UHFFFAOYSA-N 1 0 273.380 2.081 10 0 CEAERO C[C@H]([NH2+]CCCN(C)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000570077248 299236349 /nfs/dbraw/zinc/23/63/49/299236349.db2.gz RLBPNHWTMNVZOC-JKSUJKDBSA-N 1 0 275.440 2.491 10 0 CEAERO CCOC1(C)CC[NH+](C[C@@H]2CCC[C@H](O)C2)CC1 ZINC000385262048 540227283 /nfs/dbraw/zinc/22/72/83/540227283.db2.gz WDWNPSONGXCZPD-KGLIPLIRSA-N 1 0 255.402 2.429 10 0 CEAERO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccc(F)cn1 ZINC000134063992 366282495 /nfs/dbraw/zinc/28/24/95/366282495.db2.gz WCWDCHRMTPQYID-MJVIPROJSA-N 1 0 252.333 2.422 10 0 CEAERO COCc1cc(C[NH3+])cc(Br)c1OC ZINC000575601623 366298017 /nfs/dbraw/zinc/29/80/17/366298017.db2.gz FZDDOSPJYAHKSE-UHFFFAOYSA-N 1 0 260.131 2.063 10 0 CEAERO CC1(C)C[C@]1([NH3+])c1ccc(I)cn1 ZINC000575558038 366295588 /nfs/dbraw/zinc/29/55/88/366295588.db2.gz BCTHORXPZFPHGN-JTQLQIEISA-N 1 0 288.132 2.270 10 0 CEAERO c1coc(C[N@@H+]2CC[C@@H](Nc3ncnc4c3CCC4)C2)c1 ZINC000075877038 363496443 /nfs/dbraw/zinc/49/64/43/363496443.db2.gz KOENBSWGBATHBD-GFCCVEGCSA-N 1 0 284.363 2.245 10 0 CEAERO C[C@@H]1CC[C@H]([NH2+]CCC2CCOCC2)[C@@H](n2cncn2)C1 ZINC000328882621 202096164 /nfs/dbraw/zinc/09/61/64/202096164.db2.gz LVCKCVQYADPILY-KBMXLJTQSA-N 1 0 292.427 2.414 10 0 CEAERO CC(C)C[NH+]1CCN(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000079122152 363580482 /nfs/dbraw/zinc/58/04/82/363580482.db2.gz OUWZGRUVCWMJTM-ZDUSSCGKSA-N 1 0 255.406 2.014 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCC[C@@H]1c1cccnc1 ZINC000227399449 538822426 /nfs/dbraw/zinc/82/24/26/538822426.db2.gz OGLPPIQPEVHBOE-NWANDNLSSA-N 1 0 273.380 2.120 10 0 CEAERO Cc1nc2ccccc2nc1NC[C@@H]1CCCC[NH2+]1 ZINC000052099576 538874414 /nfs/dbraw/zinc/87/44/14/538874414.db2.gz RONPIXITUWFBSO-LBPRGKRZSA-N 1 0 256.353 2.492 10 0 CEAERO C[C@@H](NC(=O)[C@@]1(C)CCC[NH2+]1)c1ccc(F)c(F)c1 ZINC000079513442 538891013 /nfs/dbraw/zinc/89/10/13/538891013.db2.gz IRXIVCYZNGRWCE-YMTOWFKASA-N 1 0 268.307 2.284 10 0 CEAERO CC[C@@H]1CC[C@@H](C)N(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000386110507 540281478 /nfs/dbraw/zinc/28/14/78/540281478.db2.gz TZMBJKSIEOLABA-AAVRWANBSA-N 1 0 252.402 2.399 10 0 CEAERO CC[C@@H]1CCCN(C(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000079339401 363590900 /nfs/dbraw/zinc/59/09/00/363590900.db2.gz FNVUGFOXLQDFRE-ZIAGYGMSSA-N 1 0 252.402 2.415 10 0 CEAERO COc1cccc(C[NH2+]C[C@H]2CCC[C@H]2O)c1F ZINC000165871161 540326223 /nfs/dbraw/zinc/32/62/23/540326223.db2.gz FYVIHQCOUZLVRW-ZYHUDNBSSA-N 1 0 253.317 2.085 10 0 CEAERO [NH3+]C1CCN(c2ncc(Cl)cc2Br)CC1 ZINC000162810672 283415902 /nfs/dbraw/zinc/41/59/02/283415902.db2.gz IWKHCSZTZUDWRY-UHFFFAOYSA-N 1 0 290.592 2.425 10 0 CEAERO Cc1csc([C@@H](C)[NH2+]C[C@@H](O)COC(C)(C)C)n1 ZINC000080314134 363656831 /nfs/dbraw/zinc/65/68/31/363656831.db2.gz BNULEWMJYKCSHP-GHMZBOCLSA-N 1 0 272.414 2.278 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1c1cccc(C(F)(F)F)n1 ZINC000044559889 283460838 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C[C@@H](Cc1ccsc1)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000579581475 366666492 /nfs/dbraw/zinc/66/64/92/366666492.db2.gz QZWNRWIEZQVGLN-DMDPSCGWSA-N 1 0 266.410 2.183 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1ccc2ncccc2c1 ZINC000061883774 283516764 /nfs/dbraw/zinc/51/67/64/283516764.db2.gz DSPRPPKTHVOCCF-UKRRQHHQSA-N 1 0 269.348 2.092 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](Nc2ccnc(C3CC3)n2)C1 ZINC000176797685 189009823 /nfs/dbraw/zinc/00/98/23/189009823.db2.gz FGIXGPMPPLUVOA-YPMHNXCESA-N 1 0 260.385 2.495 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(COC)cc1 ZINC000176963890 189017453 /nfs/dbraw/zinc/01/74/53/189017453.db2.gz RCZDPVYWYXMQLD-INIZCTEOSA-N 1 0 290.407 2.389 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cnc(C)s1 ZINC000176980977 189018407 /nfs/dbraw/zinc/01/84/07/189018407.db2.gz PQUFPAJPWDRXLW-LLVKDONJSA-N 1 0 267.398 2.008 10 0 CEAERO CC(C)C[C@@H](C[NH3+])Nc1nccc(C(F)(F)F)n1 ZINC000081587110 363733015 /nfs/dbraw/zinc/73/30/15/363733015.db2.gz ZEPMERXJZMRITP-QMMMGPOBSA-N 1 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ANTGFPMSBPMIKZ-HNNXBMFYSA-N 1 0 278.396 2.222 10 0 CEAERO Cc1ccc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1O ZINC000181184685 189290079 /nfs/dbraw/zinc/29/00/79/189290079.db2.gz LAFSQTGKJSORKN-JSGCOSHPSA-N 1 0 276.380 2.159 10 0 CEAERO O=C(c1ccc(-n2ccnc2)cc1)C1CC[NH2+]CC1 ZINC000004262661 361307657 /nfs/dbraw/zinc/30/76/57/361307657.db2.gz HMSOFTWOECICPS-UHFFFAOYSA-N 1 0 255.321 2.055 10 0 CEAERO CC[NH+](CC)CCNc1cc(N2CCC[C@@H](C)C2)ncn1 ZINC000152854779 366717894 /nfs/dbraw/zinc/71/78/94/366717894.db2.gz FMQHTEBUKABABM-CQSZACIVSA-N 1 0 291.443 2.467 10 0 CEAERO COc1cccc(C[NH3+])c1Oc1nc(C)cc(C)n1 ZINC000011849431 361365961 /nfs/dbraw/zinc/36/59/61/361365961.db2.gz YYDLGPYTRRRAGA-UHFFFAOYSA-N 1 0 259.309 2.353 10 0 CEAERO [NH3+][C@@H](Cn1cccn1)c1ccc(Br)cc1 ZINC000011849830 361366597 /nfs/dbraw/zinc/36/65/97/361366597.db2.gz FUMVJFJUIGNJAX-NSHDSACASA-N 1 0 266.142 2.346 10 0 CEAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CCc1cccnc1 ZINC000083704299 363784924 /nfs/dbraw/zinc/78/49/24/363784924.db2.gz 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ZINC000089163701 363943061 /nfs/dbraw/zinc/94/30/61/363943061.db2.gz IWNFXBIOTRVJIO-UKRRQHHQSA-N 1 0 271.364 2.327 10 0 CEAERO O=C(N[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccc2n[nH]cc2c1 ZINC000089196925 363946799 /nfs/dbraw/zinc/94/67/99/363946799.db2.gz HZECIBIWEYMBFU-AWEZNQCLSA-N 1 0 298.390 2.310 10 0 CEAERO Cc1ccc(F)c(C(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)c1 ZINC000089710203 363994227 /nfs/dbraw/zinc/99/42/27/363994227.db2.gz FXLRYFDZMKNPOP-BXUZGUMPSA-N 1 0 264.344 2.156 10 0 CEAERO CC(=O)Nc1ccccc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000092616211 364087803 /nfs/dbraw/zinc/08/78/03/364087803.db2.gz YLBIFRDOEDNLSA-MRXNPFEDSA-N 1 0 287.407 2.315 10 0 CEAERO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3cccn3C)C2)no1 ZINC000092814308 364109335 /nfs/dbraw/zinc/10/93/35/364109335.db2.gz SSKWRVXVGYWYGA-ZDUSSCGKSA-N 1 0 274.368 2.171 10 0 CEAERO [NH3+]CC1(C(=O)N2CCC(c3nccs3)CC2)CCCC1 ZINC000334661074 364147020 /nfs/dbraw/zinc/14/70/20/364147020.db2.gz BSEUGXRWQVKLGX-UHFFFAOYSA-N 1 0 293.436 2.368 10 0 CEAERO c1cc(C[N@@H+]2CCCN(c3cccnn3)CC2)cs1 ZINC000093151005 364147479 /nfs/dbraw/zinc/14/74/79/364147479.db2.gz LHTRUFNWKUHUBL-UHFFFAOYSA-N 1 0 274.393 2.250 10 0 CEAERO C[C@H](C[NH2+]C[C@@H](C)c1ccccc1)N1CCOCC1 ZINC000237519579 370728187 /nfs/dbraw/zinc/72/81/87/370728187.db2.gz GFKSZJKJNQHNRA-HUUCEWRRSA-N 1 0 262.397 2.100 10 0 CEAERO [NH3+][C@H]1CC[C@@H](C(=O)N(CCC(F)(F)F)CC2CC2)C1 ZINC000237929616 370759654 /nfs/dbraw/zinc/75/96/54/370759654.db2.gz DXOCBCOYUTTZDC-MNOVXSKESA-N 1 0 278.318 2.305 10 0 CEAERO Clc1cnc(OCCC[C@@H]2CCC[NH2+]C2)nc1 ZINC000095070063 364329929 /nfs/dbraw/zinc/32/99/29/364329929.db2.gz YWLDLAOKTXOWPS-JTQLQIEISA-N 1 0 255.749 2.289 10 0 CEAERO Cc1cc(Cl)nc(OCC[C@@H]2CCCC[NH2+]2)n1 ZINC000095068954 364330082 /nfs/dbraw/zinc/33/00/82/364330082.db2.gz JSXRTGFXSFNNIW-JTQLQIEISA-N 1 0 255.749 2.349 10 0 CEAERO CNc1nc2ccccc2nc1OC[C@@H]1CCCC[NH2+]1 ZINC000095071402 364330810 /nfs/dbraw/zinc/33/08/10/364330810.db2.gz HFBNMCAPRMTYRI-NSHDSACASA-N 1 0 272.352 2.192 10 0 CEAERO Cc1ccsc1C(=O)N(C)C[C@H]1CCCC[NH2+]1 ZINC000095070749 364331408 /nfs/dbraw/zinc/33/14/08/364331408.db2.gz YERYPXWDQCQREN-LLVKDONJSA-N 1 0 252.383 2.271 10 0 CEAERO CN(c1nc2ccccc2nc1Cl)[C@H]1CCC[NH2+]C1 ZINC000095070566 364331532 /nfs/dbraw/zinc/33/15/32/364331532.db2.gz WPJOSOTVUGREFA-JTQLQIEISA-N 1 0 276.771 2.471 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]CC2(C)COC2)c1C ZINC000094721886 364290997 /nfs/dbraw/zinc/29/09/97/364290997.db2.gz GQVGVMKPPUKAJN-JTQLQIEISA-N 1 0 251.374 2.207 10 0 CEAERO C[C@@H](NC(=O)C1(C)C[NH2+]C1)c1ccc(Br)cc1 ZINC000335017866 364357511 /nfs/dbraw/zinc/35/75/11/364357511.db2.gz OUYAKZJRBHGHBC-SECBINFHSA-N 1 0 297.196 2.236 10 0 CEAERO CCC(=O)Nc1ccc(C)c(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)c1 ZINC000097093738 364445814 /nfs/dbraw/zinc/44/58/14/364445814.db2.gz FZCIYQXQVOZRJQ-VXGBXAGGSA-N 1 0 289.379 2.409 10 0 CEAERO O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@@H]1CCCC[NH2+]1 ZINC000156837405 366838766 /nfs/dbraw/zinc/83/87/66/366838766.db2.gz NWHPTOOTIGTZEK-MXWKQRLJSA-N 1 0 278.318 2.366 10 0 CEAERO C[C@@H](C[NH3+])[C@@H](O)c1cccc(F)c1Br ZINC000156252543 366828824 /nfs/dbraw/zinc/82/88/24/366828824.db2.gz NVJNJNBTFZXIHM-QUBYGPBYSA-N 1 0 262.122 2.216 10 0 CEAERO [NH3+][C@H]1CN(C(=O)Oc2ccccc2)CC12CCCC2 ZINC000098090089 364529998 /nfs/dbraw/zinc/52/99/98/364529998.db2.gz OKDAPKXLHRKQEX-ZDUSSCGKSA-N 1 0 260.337 2.389 10 0 CEAERO [NH3+]CCNc1c(C(=O)C(F)(F)F)cnc2ccccc21 ZINC000097757691 364517629 /nfs/dbraw/zinc/51/76/29/364517629.db2.gz LELYVJIYQLLZIA-UHFFFAOYSA-N 1 0 283.253 2.350 10 0 CEAERO CC(C)CC[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105803680 364702408 /nfs/dbraw/zinc/70/24/08/364702408.db2.gz JYRLKZNLPORZCA-CQSZACIVSA-N 1 0 262.401 2.423 10 0 CEAERO COc1cccc(C(=O)N(C)[C@@H]2CCC[NH2+]CC2)c1F ZINC000335636314 212351442 /nfs/dbraw/zinc/35/14/42/212351442.db2.gz AMODAJIBPQHFQF-LLVKDONJSA-N 1 0 280.343 2.048 10 0 CEAERO CC(=O)c1csc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000113227146 364877276 /nfs/dbraw/zinc/87/72/76/364877276.db2.gz IMPZDVATRRTOMJ-ZWNOBZJWSA-N 1 0 292.404 2.259 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC000113232941 364879107 /nfs/dbraw/zinc/87/91/07/364879107.db2.gz BOOJVSRTQZWOIZ-NWDGAFQWSA-N 1 0 290.411 2.016 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCc1ccccn1 ZINC000113229790 364879240 /nfs/dbraw/zinc/87/92/40/364879240.db2.gz RTKMTBNWTXMEDY-GOEBONIOSA-N 1 0 287.407 2.099 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc(-c2ccccc2)no1 ZINC000113271931 364882390 /nfs/dbraw/zinc/88/23/90/364882390.db2.gz JDZSAMYJKPRQQI-UKRRQHHQSA-N 1 0 298.390 2.405 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCc1cccs1 ZINC000113575415 364905293 /nfs/dbraw/zinc/90/52/93/364905293.db2.gz NIZNFJZRLPBJIR-QWHCGFSZSA-N 1 0 293.436 2.169 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1Cc2ccccc21 ZINC000113601174 364906563 /nfs/dbraw/zinc/90/65/63/364906563.db2.gz OFUJHUUEUKCFHZ-VNQPRFMTSA-N 1 0 299.418 2.204 10 0 CEAERO COC[C@H](C)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000113898526 364916690 /nfs/dbraw/zinc/91/66/90/364916690.db2.gz HTGDMBRTSFXEDX-JYJNAYRXSA-N 1 0 296.455 2.382 10 0 CEAERO Cn1cc([C@H]2CC[N@H+](C[C@](C)(O)c3ccccc3)C2)cn1 ZINC000116320781 365051623 /nfs/dbraw/zinc/05/16/23/365051623.db2.gz OJPVERNWYCDKIW-YOEHRIQHSA-N 1 0 285.391 2.117 10 0 CEAERO Cc1ncc(C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)s1 ZINC000116320475 365051718 /nfs/dbraw/zinc/05/17/18/365051718.db2.gz KEQSAGHFIVXHBU-LLVKDONJSA-N 1 0 262.382 2.175 10 0 CEAERO Cc1nn(C)c(Cl)c1C[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000116317848 365051855 /nfs/dbraw/zinc/05/18/55/365051855.db2.gz SWTVCSVQFABAIF-LLVKDONJSA-N 1 0 293.802 2.105 10 0 CEAERO CCCCCNC(=O)N1CC[N@H+](CCOCC)[C@@H](CC)C1 ZINC000117021852 365089247 /nfs/dbraw/zinc/08/92/47/365089247.db2.gz IIURULDSMUAJPR-HNNXBMFYSA-N 1 0 299.459 2.319 10 0 CEAERO CCCCCC(=O)N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC000117306331 365100664 /nfs/dbraw/zinc/10/06/64/365100664.db2.gz NTLNSSPADZAURA-AWEZNQCLSA-N 1 0 270.417 2.136 10 0 CEAERO CC[C@H](C)[C@H](C)NC(=O)N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000117484863 365109757 /nfs/dbraw/zinc/10/97/57/365109757.db2.gz VHVXZEKJAYBHTE-SOUVJXGZSA-N 1 0 299.459 2.173 10 0 CEAERO C[NH+](C)C[C@H]1CN(CCSc2ccccc2)CCO1 ZINC000117880780 365130353 /nfs/dbraw/zinc/13/03/53/365130353.db2.gz RPQHTKWEPHBYOQ-AWEZNQCLSA-N 1 0 280.437 2.041 10 0 CEAERO C[C@H]1SCC[N@H+](C[C@@H](O)COCc2ccccc2)[C@@H]1C ZINC000118534436 365162816 /nfs/dbraw/zinc/16/28/16/365162816.db2.gz VTROOSJAPURTND-IIAWOOMASA-N 1 0 295.448 2.390 10 0 CEAERO CCc1ccc([C@H](COC)[NH2+]C[C@](C)(O)CC)o1 ZINC000119087960 365214809 /nfs/dbraw/zinc/21/48/09/365214809.db2.gz OOJLYGCIGQNBER-GXTWGEPZSA-N 1 0 255.358 2.280 10 0 CEAERO CCC(C)(C)CCNC(=O)C1(CCOC)CC[NH2+]CC1 ZINC000638866751 370807806 /nfs/dbraw/zinc/80/78/06/370807806.db2.gz UHKYNNGWORSFIJ-UHFFFAOYSA-N 1 0 284.444 2.335 10 0 CEAERO CCC1(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)CCOCC1 ZINC000335979127 365246398 /nfs/dbraw/zinc/24/63/98/365246398.db2.gz MBZWPNDVABBMFS-ZIAGYGMSSA-N 1 0 253.386 2.447 10 0 CEAERO C[NH+](C)CCNC(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000119334022 365255651 /nfs/dbraw/zinc/25/56/51/365255651.db2.gz MCXNDRIBXVLVQH-AWEZNQCLSA-N 1 0 279.359 2.064 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1ccccc1 ZINC000245415667 370815403 /nfs/dbraw/zinc/81/54/03/370815403.db2.gz DKZDISXCSKQCAG-CVEARBPZSA-N 1 0 287.407 2.184 10 0 CEAERO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000119943571 365348887 /nfs/dbraw/zinc/34/88/87/365348887.db2.gz IUKDJZJVCCFDMF-XQQFMLRXSA-N 1 0 278.421 2.323 10 0 CEAERO CC[C@@H](C)C[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000120398058 365418329 /nfs/dbraw/zinc/41/83/29/365418329.db2.gz JJGYOEJBVMXYSI-CYBMUJFWSA-N 1 0 262.401 2.423 10 0 CEAERO CC[C@@H](C)C[N@@H+]1CCCN(Cc2cnn(CC)c2)CC1 ZINC000120537001 365438359 /nfs/dbraw/zinc/43/83/59/365438359.db2.gz LADVZMMMUWPDTH-OAHLLOKOSA-N 1 0 278.444 2.457 10 0 CEAERO C[C@@H]1COC[C@@H](C)[NH+]1Cc1ccc(-n2ccnc2)cc1 ZINC000120773845 365474396 /nfs/dbraw/zinc/47/43/96/365474396.db2.gz OIFTWBQXXMJFDS-ZIAGYGMSSA-N 1 0 271.364 2.482 10 0 CEAERO C[NH+](C)C[C@@H]1CN(Cc2nc(C(C)(C)C)cs2)CCO1 ZINC000120609872 365449561 /nfs/dbraw/zinc/44/95/61/365449561.db2.gz DTRCNIDENJGVNO-GFCCVEGCSA-N 1 0 297.468 2.203 10 0 CEAERO C[C@H](C[C@H](C)[NH3+])Nc1ccncc1Br ZINC000160031883 366967221 /nfs/dbraw/zinc/96/72/21/366967221.db2.gz DREKJORIAFYMOH-JGVFFNPUSA-N 1 0 258.163 2.382 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)N(CC)C[C@@H](O)c1ccc(C)cc1 ZINC000161953905 367124426 /nfs/dbraw/zinc/12/44/26/367124426.db2.gz FDXIPADSSJNTHL-HUUCEWRRSA-N 1 0 278.396 2.004 10 0 CEAERO Cc1ccc(C[C@H](C)NC(=O)N2CC[C@H]([NH+](C)C)C2)s1 ZINC000162121953 367139508 /nfs/dbraw/zinc/13/95/08/367139508.db2.gz WZTHCUGLTQOHNZ-AAEUAGOBSA-N 1 0 295.452 2.333 10 0 CEAERO CCC[C@@H](C(=O)NC[C@H](C)Oc1ccccc1)[NH+](C)C ZINC000162143583 367140688 /nfs/dbraw/zinc/14/06/88/367140688.db2.gz LCKZVNSUFHVEBX-ZFWWWQNUSA-N 1 0 278.396 2.300 10 0 CEAERO CC[C@](C)(O)C[N@H+](C)CCOCc1ccccc1 ZINC000161522558 367093951 /nfs/dbraw/zinc/09/39/51/367093951.db2.gz JCCXBFAHMCFBBT-HNNXBMFYSA-N 1 0 251.370 2.296 10 0 CEAERO [NH3+]Cc1cn(-c2ccc(C(F)(F)F)nc2)nc1Cl ZINC000584619502 367174059 /nfs/dbraw/zinc/17/40/59/367174059.db2.gz RHMLBWQVJXHWHB-UHFFFAOYSA-N 1 0 276.649 2.398 10 0 CEAERO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)C[C@H]1C[NH3+] ZINC000638887083 370821650 /nfs/dbraw/zinc/82/16/50/370821650.db2.gz CXKGLXXQLCNOPD-KKOKHZNYSA-N 1 0 292.345 2.408 10 0 CEAERO C[C@H](Oc1cccc(Cl)c1)C(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638891218 370823923 /nfs/dbraw/zinc/82/39/23/370823923.db2.gz ZGMWMPUYXUPFPN-SRVKXCTJSA-N 1 0 296.798 2.161 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)N[C@H]1CCCC[C@@H]1C ZINC000245459030 370823936 /nfs/dbraw/zinc/82/39/36/370823936.db2.gz DELMPPCBUJBNRK-XHSDSOJGSA-N 1 0 295.471 2.097 10 0 CEAERO C[C@@H]1CN(C(=O)CCc2ccccc2Cl)C[C@@H]1C[NH3+] ZINC000638890016 370824073 /nfs/dbraw/zinc/82/40/73/370824073.db2.gz WIMVVSXEAJEDMD-YPMHNXCESA-N 1 0 280.799 2.326 10 0 CEAERO 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2.236 10 0 CEAERO Cc1cc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@@H]2C)c(C)o1 ZINC000282485840 375495427 /nfs/dbraw/zinc/49/54/27/375495427.db2.gz XEPZQZRVTOTSFB-OPQQBVKSSA-N 1 0 250.342 2.214 10 0 CEAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc(F)ccc1Cl ZINC000282519104 375505515 /nfs/dbraw/zinc/50/55/15/375505515.db2.gz YATYJPQPDHWWMD-PRHODGIISA-N 1 0 270.735 2.236 10 0 CEAERO C[C@H](C[NH2+][C@@H](C)c1cnccn1)N(C)C(=O)OC(C)(C)C ZINC000282754611 375566871 /nfs/dbraw/zinc/56/68/71/375566871.db2.gz BATNBXWXCFXUHS-NEPJUHHUSA-N 1 0 294.399 2.383 10 0 CEAERO CCC[C@@](C)([NH3+])C(=O)NCc1ccnc(O[C@@H](C)CC)c1 ZINC000262101165 190048678 /nfs/dbraw/zinc/04/86/78/190048678.db2.gz CWNMPCOSYYPZAG-BLLLJJGKSA-N 1 0 293.411 2.393 10 0 CEAERO COC(=O)c1cccnc1C[N@H+](C)[C@@H](C)C(C)C ZINC000305928985 376533409 /nfs/dbraw/zinc/53/34/09/376533409.db2.gz JGTGXAUGRNQYEV-NSHDSACASA-N 1 0 250.342 2.345 10 0 CEAERO C[C@H]([NH2+]CC(=O)N1CCC1)c1ccc(Cl)s1 ZINC000309701528 376600200 /nfs/dbraw/zinc/60/02/00/376600200.db2.gz MUGFYCJPBUCXBY-QMMMGPOBSA-N 1 0 258.774 2.284 10 0 CEAERO CC[C@@H](C)C[N@H+](C)Cc1ncccc1C(=O)OC ZINC000310618642 376628710 /nfs/dbraw/zinc/62/87/10/376628710.db2.gz KJEMTJNPZOYLCF-LLVKDONJSA-N 1 0 250.342 2.346 10 0 CEAERO C[C@H](CCCC[NH3+])Nc1nccc(C(F)(F)F)n1 ZINC000310987869 376646572 /nfs/dbraw/zinc/64/65/72/376646572.db2.gz KTIYLDRNYFKUBL-MRVPVSSYSA-N 1 0 262.279 2.425 10 0 CEAERO Cc1cc(C(C)C)nc(N2C[C@@H]3CCC[C@]3(C[NH3+])C2)n1 ZINC000312639754 376723913 /nfs/dbraw/zinc/72/39/13/376723913.db2.gz DAUUQIGVVYUATL-BBRMVZONSA-N 1 0 274.412 2.474 10 0 CEAERO [NH3+][C@@H]1CN(c2ncccc2F)C[C@H]1c1ccccc1 ZINC000311697249 376682337 /nfs/dbraw/zinc/68/23/37/376682337.db2.gz GWGIPXZGHKFKNX-GXTWGEPZSA-N 1 0 257.312 2.152 10 0 CEAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)N[C@@H]2C)c2ccccc21 ZINC000290211626 376688385 /nfs/dbraw/zinc/68/83/85/376688385.db2.gz HIRGZERYGMGGPM-FIXIBIHLSA-N 1 0 258.365 2.492 10 0 CEAERO Cc1cc2ccccc2nc1N1CCCO[C@H](C[NH3+])C1 ZINC000313351519 376744682 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542237704 /nfs/dbraw/zinc/23/77/04/542237704.db2.gz WBFYXWJJPFNZMY-CYBMUJFWSA-N 1 0 277.412 2.470 10 0 CEAERO C[C@@H]([NH2+]CC1CC(O)C1)c1cncc(Br)c1 ZINC000528018605 379880101 /nfs/dbraw/zinc/88/01/01/379880101.db2.gz NBHNHQVRNTVHAB-YDNLMGDJSA-N 1 0 285.185 2.266 10 0 CEAERO CN(CC[N@H+](C)CC1(O)CCCC1)Cc1ccc(F)cc1 ZINC000181773654 542275893 /nfs/dbraw/zinc/27/58/93/542275893.db2.gz BXIKSPKBBDHKAG-UHFFFAOYSA-N 1 0 294.414 2.494 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)/C=C\c1scnc1C ZINC000492737069 380671764 /nfs/dbraw/zinc/67/17/64/380671764.db2.gz CNAPEVOKAIDWEJ-WSROAFLRSA-N 1 0 293.436 2.407 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)/C=C\C3CCCCC3)C[C@@H]12 ZINC000493141338 380815538 /nfs/dbraw/zinc/81/55/38/380815538.db2.gz QFVCJIOOKBLQPQ-DKTCWMBNSA-N 1 0 262.397 2.319 10 0 CEAERO O=C1CC2(CN1)CC[NH+](C[C@@H]1CCCC(F)(F)C1)CC2 ZINC000335927632 296314989 /nfs/dbraw/zinc/31/49/89/296314989.db2.gz NYHKXILSCLJELO-GFCCVEGCSA-N 1 0 286.366 2.414 10 0 CEAERO C[C@@]1(C(=O)N2CCC(c3nccs3)CC2)CCC[NH2+]C1 ZINC000334943583 207331835 /nfs/dbraw/zinc/33/18/35/207331835.db2.gz UEORZRBSAZIWCV-OAHLLOKOSA-N 1 0 293.436 2.239 10 0 CEAERO COC[C@@H](C)C[NH2+][C@@H](C)COCc1ccccc1 ZINC000188059254 542319622 /nfs/dbraw/zinc/31/96/22/542319622.db2.gz ZPSFHUITNWGKKM-KBPBESRZSA-N 1 0 251.370 2.464 10 0 CEAERO CC(C)(C)n1cc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)cn1 ZINC000188418986 542322032 /nfs/dbraw/zinc/32/20/32/542322032.db2.gz IZFVHOIKOQJAAK-HNNXBMFYSA-N 1 0 287.411 2.499 10 0 CEAERO [NH3+]C1CCC(c2nc(Cc3ccccn3)no2)CC1 ZINC000037562316 184540600 /nfs/dbraw/zinc/54/06/00/184540600.db2.gz WGTHWPFWGDQITL-UHFFFAOYSA-N 1 0 258.325 2.040 10 0 CEAERO CC[C@H](Sc1ccc([C@@H](C)[NH2+]C)cc1)C(N)=O ZINC000079578859 184593933 /nfs/dbraw/zinc/59/39/33/184593933.db2.gz QQKYPQVBIWPUKI-SKDRFNHKSA-N 1 0 252.383 2.323 10 0 CEAERO CC(C)n1ccc(CO[C@]2(C[NH3+])CC[C@@H](C)C2)n1 ZINC000086723179 184610762 /nfs/dbraw/zinc/61/07/62/184610762.db2.gz HETKEHTXNKNMRW-TZMCWYRMSA-N 1 0 251.374 2.498 10 0 CEAERO CC[C@@H](C)CN(C)S(=O)(=O)c1ccc(C[NH2+]C)s1 ZINC000088952770 184615565 /nfs/dbraw/zinc/61/55/65/184615565.db2.gz KRVQGHOLDAPMHJ-SNVBAGLBSA-N 1 0 290.454 2.134 10 0 CEAERO CC[NH+]1CCC(N(C)[C@H](C)C(=O)OC(C)(C)C)CC1 ZINC000090815331 184617819 /nfs/dbraw/zinc/61/78/19/184617819.db2.gz DSRXBKDOUVXZCU-GFCCVEGCSA-N 1 0 270.417 2.133 10 0 CEAERO Cc1ccccc1N(C)C[C@@](C)(O)C[NH2+]C(C)C ZINC000090822195 184618738 /nfs/dbraw/zinc/61/87/38/184618738.db2.gz FMPKAHFEZPFGKJ-HNNXBMFYSA-N 1 0 250.386 2.180 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1COC(=O)N1CCCCC1 ZINC000092744667 184624801 /nfs/dbraw/zinc/62/48/01/184624801.db2.gz KXLJJSDCDKNMKW-QWHCGFSZSA-N 1 0 254.374 2.374 10 0 CEAERO Cc1ccccc1N(CCC[NH3+])CCC(C)(C)O ZINC000092800739 184627270 /nfs/dbraw/zinc/62/72/70/184627270.db2.gz KAQAVIUWDOMNCH-UHFFFAOYSA-N 1 0 250.386 2.311 10 0 CEAERO C[NH2+]Cc1ccc(S(=O)(=O)NC2C(C)(C)C2(C)C)cc1 ZINC000092820302 184629480 /nfs/dbraw/zinc/62/94/80/184629480.db2.gz UNYSKMRGFISJBO-UHFFFAOYSA-N 1 0 296.436 2.119 10 0 CEAERO CC[C@@](C)([NH3+])COC(=O)Nc1ccccc1OC ZINC000092744049 184624442 /nfs/dbraw/zinc/62/44/42/184624442.db2.gz VYCWVJTXUWZMTQ-CYBMUJFWSA-N 1 0 252.314 2.371 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)N(CC)CC(C)(C)O ZINC000092971440 184639454 /nfs/dbraw/zinc/63/94/54/184639454.db2.gz ODOPDSNTVURARQ-UHFFFAOYSA-N 1 0 272.433 2.151 10 0 CEAERO CC1CCC(C[NH2+]CCCC(=O)NC2CC2)CC1 ZINC000092987432 184641304 /nfs/dbraw/zinc/64/13/04/184641304.db2.gz OGOCTFAZOOJTGP-UHFFFAOYSA-N 1 0 252.402 2.461 10 0 CEAERO COC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1cc(F)ccc1F ZINC000093029623 184643491 /nfs/dbraw/zinc/64/34/91/184643491.db2.gz WWPCACXFSJQAKS-IUCAKERBSA-N 1 0 257.280 2.252 10 0 CEAERO CCOc1ccccc1[C@H]1OCC[C@H]1C[NH2+]CCOC ZINC000092881980 184633633 /nfs/dbraw/zinc/63/36/33/184633633.db2.gz UQUMCADGQIOXJK-BBRMVZONSA-N 1 0 279.380 2.399 10 0 CEAERO CCS(=O)(=O)CCCC1(Cc2ccccc2)C[NH2+]C1 ZINC000093195638 184654716 /nfs/dbraw/zinc/65/47/16/184654716.db2.gz ONSRQKUSKLRFQL-UHFFFAOYSA-N 1 0 281.421 2.034 10 0 CEAERO CCOCC[NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000093205897 184655416 /nfs/dbraw/zinc/65/54/16/184655416.db2.gz FICUJJJLWILYIX-RYUDHWBXSA-N 1 0 272.389 2.058 10 0 CEAERO CCC[C@@H](C[NH3+])[C@H](O)c1cc(OC)ccc1OC ZINC000093081135 184647307 /nfs/dbraw/zinc/64/73/07/184647307.db2.gz WTOVHCOWNVNASA-HZMBPMFUSA-N 1 0 253.342 2.112 10 0 CEAERO COCCCC[NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000093208068 184655794 /nfs/dbraw/zinc/65/57/94/184655794.db2.gz MEVQKEKVJVWKTF-STQMWFEESA-N 1 0 286.416 2.448 10 0 CEAERO CCC[NH2+]C[C@H](CCS(C)(=O)=O)c1ccccc1F ZINC000093177328 184653699 /nfs/dbraw/zinc/65/36/99/184653699.db2.gz HDGAODUTNAHLGA-LBPRGKRZSA-N 1 0 287.400 2.344 10 0 CEAERO COc1ccccc1NC(=O)O[C@@H]1CC[C@@H]([NH3+])C1 ZINC000093220363 184656656 /nfs/dbraw/zinc/65/66/56/184656656.db2.gz TWHSNONXRZKKDY-NXEZZACHSA-N 1 0 250.298 2.124 10 0 CEAERO CCN[C@@](C)(C[N@H+](CC)C[C@@H](C)CC)C(=O)OCC ZINC000093252780 184658815 /nfs/dbraw/zinc/65/88/15/184658815.db2.gz UWAKWBUBGVKBQY-ZFWWWQNUSA-N 1 0 272.433 2.286 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)N(C(C)C)C(C)C ZINC000175337502 285239006 /nfs/dbraw/zinc/23/90/06/285239006.db2.gz CLGFLZPEFYWAED-OAHLLOKOSA-N 1 0 283.460 2.048 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)OC(C)(C)C ZINC000252576072 285242370 /nfs/dbraw/zinc/24/23/70/285242370.db2.gz HUBXULBQGWFXQF-CHWSQXEVSA-N 1 0 270.417 2.133 10 0 CEAERO C[C@H](C[C@@H]1CCCC[NH2+]1)Nc1ccc(CC(N)=O)cc1 ZINC000093485507 184681836 /nfs/dbraw/zinc/68/18/36/184681836.db2.gz QNLLGSQBGAYKSX-DOMZBBRYSA-N 1 0 275.396 2.047 10 0 CEAERO CCCOc1cccc([C@@H]2CNC(=[NH2+])N2C2CC2)c1 ZINC000093373850 184668188 /nfs/dbraw/zinc/66/81/88/184668188.db2.gz TYXJNPMDPHWTBM-AWEZNQCLSA-N 1 0 259.353 2.309 10 0 CEAERO C[C@@]1(c2cnccn2)CNC(=[NH2+])N1c1cccc(Cl)c1 ZINC000093379130 184669278 /nfs/dbraw/zinc/66/92/78/184669278.db2.gz KVNHNRPHGDHXTE-AWEZNQCLSA-N 1 0 287.754 2.390 10 0 CEAERO NC(=O)c1ccc(F)c(N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000093451965 184677269 /nfs/dbraw/zinc/67/72/69/184677269.db2.gz CXEIOWWMIKYDMV-KWCYVHTRSA-N 1 0 291.370 2.257 10 0 CEAERO C[C@@H]([NH3+])[C@H](C)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000081935646 177903084 /nfs/dbraw/zinc/90/30/84/177903084.db2.gz OZETUOKRWUMCML-SFYZADRCSA-N 1 0 281.299 2.215 10 0 CEAERO CC[NH2+][C@@H]1CCC[C@H]1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000081934724 177901702 /nfs/dbraw/zinc/90/17/02/177901702.db2.gz BTPKOHRKCSWGMF-CHWSQXEVSA-N 1 0 289.347 2.269 10 0 CEAERO CC[NH2+][C@@H]1CCCC[C@@H]1Sc1nnc(C)n1C ZINC000081886303 177878020 /nfs/dbraw/zinc/87/80/20/177878020.db2.gz LBVOAHHJXHKJGD-MNOVXSKESA-N 1 0 254.403 2.136 10 0 CEAERO C[NH2+][C@@H]1CCCCC[C@@H]1Sc1nnc(C)n1C ZINC000081886286 177878028 /nfs/dbraw/zinc/87/80/28/177878028.db2.gz OPGKKLZYJYIJED-MNOVXSKESA-N 1 0 254.403 2.136 10 0 CEAERO CCCn1c(=O)[nH]nc1S[C@H]1CC(C)(C)CC[C@@H]1[NH2+]C ZINC000081879217 177872399 /nfs/dbraw/zinc/87/23/99/177872399.db2.gz NVTQUAICUFIZJO-QWRGUYRKSA-N 1 0 298.456 2.240 10 0 CEAERO CC[NH2+][C@@H](CSCC(=O)OC)c1ccccc1 ZINC000081792916 177861425 /nfs/dbraw/zinc/86/14/25/177861425.db2.gz DYVPPQMLLCVOSM-LBPRGKRZSA-N 1 0 253.367 2.243 10 0 CEAERO C[C@H](Sc1nnnn1C1CC1)[C@@H]([NH3+])c1ccccc1 ZINC000081867680 177868278 /nfs/dbraw/zinc/86/82/78/177868278.db2.gz PLYGLDGCWYWPQZ-JOYOIKCWSA-N 1 0 275.381 2.189 10 0 CEAERO COC[C@H]1CCN(c2cc(C[NH2+]C(C)C)ccn2)C1 ZINC000081117056 177773719 /nfs/dbraw/zinc/77/37/19/177773719.db2.gz XMRKIRVQSQSUMS-AWEZNQCLSA-N 1 0 263.385 2.052 10 0 CEAERO C[NH2+]Cc1cc(N2CC[C@H](COC)C2)c2ccccc2n1 ZINC000081117067 177773347 /nfs/dbraw/zinc/77/33/47/177773347.db2.gz YEIMOAIMSUHABH-ZDUSSCGKSA-N 1 0 285.391 2.427 10 0 CEAERO CCC[NH2+]Cc1ccnc(N2CC[C@@H](COC)C2)c1 ZINC000081117220 177773220 /nfs/dbraw/zinc/77/32/20/177773220.db2.gz UNSZMKKMLDNEBI-CQSZACIVSA-N 1 0 263.385 2.054 10 0 CEAERO CC(C)[C@H](C)C[NH2+]C[C@@H](O)c1ccc2c(c1)OCO2 ZINC000081058800 177762504 /nfs/dbraw/zinc/76/25/04/177762504.db2.gz DVKXOEGDUOESBP-DGCLKSJQSA-N 1 0 265.353 2.330 10 0 CEAERO Cc1sc2ncnc(OCC(C)(C)[NH3+])c2c1C ZINC000080801504 177709377 /nfs/dbraw/zinc/70/93/77/177709377.db2.gz UVXXJIIVKNQMPT-UHFFFAOYSA-N 1 0 251.355 2.424 10 0 CEAERO CCO[C@@H](C)[C@@H](Cc1ccc(OC)c(F)c1)[NH2+]C ZINC000080743344 177697309 /nfs/dbraw/zinc/69/73/09/177697309.db2.gz OFUGJSQSAKADGZ-GXFFZTMASA-N 1 0 255.333 2.390 10 0 CEAERO CCOC(=O)CC1([NH+]2CCCCC2)CCN(CC)CC1 ZINC000080692045 177692957 /nfs/dbraw/zinc/69/29/57/177692957.db2.gz YWQCUJRIHVBQPF-UHFFFAOYSA-N 1 0 282.428 2.280 10 0 CEAERO CCOC(=O)CC[C@H]([NH3+])Cc1cccc2[nH]ccc21 ZINC000080354998 177644493 /nfs/dbraw/zinc/64/44/93/177644493.db2.gz UTQCBCNGKOCMAK-LBPRGKRZSA-N 1 0 260.337 2.381 10 0 CEAERO CC[NH2+]Cc1cccc2c1ccn2CC(=O)NC(C)C ZINC000080336275 177643557 /nfs/dbraw/zinc/64/35/57/177643557.db2.gz HBSDFTSDMYUPHV-UHFFFAOYSA-N 1 0 273.380 2.275 10 0 CEAERO Cc1ccc(C[C@@H](C)NC(=O)c2ccc(NN)[nH+]c2)s1 ZINC000080252942 177632200 /nfs/dbraw/zinc/63/22/00/177632200.db2.gz FPFWSAHRNTUUEH-SECBINFHSA-N 1 0 290.392 2.098 10 0 CEAERO Cc1ccc(C[C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C)s1 ZINC000080245160 177631100 /nfs/dbraw/zinc/63/11/00/177631100.db2.gz FBKAEYNLWWOITD-KOLCDFICSA-N 1 0 254.399 2.054 10 0 CEAERO C[NH2+][C@@H]1CCC[C@H]1CCN1CCc2ccccc2C1=O ZINC000093557657 184690751 /nfs/dbraw/zinc/69/07/51/184690751.db2.gz NNYHKVLUBSXEQH-GOEBONIOSA-N 1 0 272.392 2.463 10 0 CEAERO OC[C@]1([NH2+]C2CC2)CCC[C@H]1CCn1cc(Cl)cn1 ZINC000093618843 184696682 /nfs/dbraw/zinc/69/66/82/184696682.db2.gz GWWSCIOITSGDNR-SMDDNHRTSA-N 1 0 283.803 2.210 10 0 CEAERO CCOc1ccc(OCC[C@H]2CCC[C@@]2([NH3+])CO)cc1 ZINC000093621048 184697099 /nfs/dbraw/zinc/69/70/99/184697099.db2.gz MVEILUABLFBTSB-CZUORRHYSA-N 1 0 279.380 2.344 10 0 CEAERO Cc1ccc(F)c(OCC[C@@H]2CCC[C@]2([NH3+])CO)c1 ZINC000093621899 184697836 /nfs/dbraw/zinc/69/78/36/184697836.db2.gz IRCPDJJSJHFOGA-WFASDCNBSA-N 1 0 267.344 2.393 10 0 CEAERO CCC[NH2+][C@]1(C(N)=O)CCC[C@H]1CCO[C@@H](C)CC ZINC000093625449 184698025 /nfs/dbraw/zinc/69/80/25/184698025.db2.gz IRRMBNQUQOUXIN-KCQAQPDRSA-N 1 0 270.417 2.215 10 0 CEAERO C[NH2+][C@@]1(C(N)=O)CCC[C@H]1CCOc1cc(C)ccc1F ZINC000093626126 184698360 /nfs/dbraw/zinc/69/83/60/184698360.db2.gz YDQUEBLZLCVZFB-LRDDRELGSA-N 1 0 294.370 2.147 10 0 CEAERO CCC[NH2+]C[C@H](C)CC[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093702308 184707989 /nfs/dbraw/zinc/70/79/89/184707989.db2.gz KDSIKXFXPPNZKA-KGLIPLIRSA-N 1 0 290.473 2.074 10 0 CEAERO C[NH2+][C@@H](CCC(C)C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700123 184708126 /nfs/dbraw/zinc/70/81/26/184708126.db2.gz AKJKRZPYLYQMFN-KGLIPLIRSA-N 1 0 290.473 2.072 10 0 CEAERO CCC[NH2+][C@@]1(CO)CCC[C@H](OCCOCCC)C1 ZINC000093784594 184721903 /nfs/dbraw/zinc/72/19/03/184721903.db2.gz JACGXJQZECUOOH-GJZGRUSLSA-N 1 0 273.417 2.103 10 0 CEAERO CC[NH2+][C@@]1(CO)CCC[C@@H](Oc2ccc(F)cc2)C1 ZINC000093785556 184722232 /nfs/dbraw/zinc/72/22/32/184722232.db2.gz ZUILFGVLCDWRHT-CABCVRRESA-N 1 0 267.344 2.488 10 0 CEAERO C[C@H](C[NH2+][C@H](C)c1ccccc1N(C)C)N1CCOCC1 ZINC000093941878 184745230 /nfs/dbraw/zinc/74/52/30/184745230.db2.gz BEGVBOGUUMLBIP-HUUCEWRRSA-N 1 0 291.439 2.124 10 0 CEAERO CCC[NH2+][C@H](C)c1cc(F)ccc1SC[C@@H](O)CO ZINC000093958086 184745716 /nfs/dbraw/zinc/74/57/16/184745716.db2.gz XUCJKAGTGVLVBN-PWSUYJOCSA-N 1 0 287.400 2.332 10 0 CEAERO CC1(C)C([NH3+])C(C)(C)C1NC(=O)CC[C@@H]1CCCCO1 ZINC000094006262 184749500 /nfs/dbraw/zinc/74/95/00/184749500.db2.gz MSPQVOLLDBHQOZ-XGNXJENSSA-N 1 0 282.428 2.214 10 0 CEAERO CCCn1ccnc1Cc1cc(OC)c(OC)cc1C[NH3+] ZINC000094141369 184755871 /nfs/dbraw/zinc/75/58/71/184755871.db2.gz QEVFNTMRTALTES-UHFFFAOYSA-N 1 0 289.379 2.360 10 0 CEAERO CCC[NH2+][C@@H](Cc1nccn1CC)Cc1ccccn1 ZINC000094145297 184756677 /nfs/dbraw/zinc/75/66/77/184756677.db2.gz IZRFQUGOPQSWKZ-OAHLLOKOSA-N 1 0 272.396 2.451 10 0 CEAERO CCCn1ccnc1C[C@@H](Cc1csc(C)n1)[NH2+]C ZINC000094159596 184757928 /nfs/dbraw/zinc/75/79/28/184757928.db2.gz MZQLKUIABATHCW-GFCCVEGCSA-N 1 0 278.425 2.431 10 0 CEAERO Cc1ccccc1N(CCC[NH3+])C(=O)[C@H]1CCO[C@H]1C ZINC000094173443 184759365 /nfs/dbraw/zinc/75/93/65/184759365.db2.gz KXRXZYQXOKLNSW-KBPBESRZSA-N 1 0 276.380 2.102 10 0 CEAERO CCn1c(C[C@H]([NH2+]C)[C@H](C)OC)nc2ccccc21 ZINC000094172017 184759407 /nfs/dbraw/zinc/75/94/07/184759407.db2.gz SECYSGFNOYCJKY-AAEUAGOBSA-N 1 0 261.369 2.222 10 0 CEAERO CC[C@H]([NH3+])Cc1ccc(O[C@H](C)C(=O)NC(C)(C)C)cn1 ZINC000094216513 184764063 /nfs/dbraw/zinc/76/40/63/184764063.db2.gz MOBZONXZQRAMLC-NEPJUHHUSA-N 1 0 293.411 2.043 10 0 CEAERO C[NH2+]C1CCC(NC(=O)c2cscc2C)CC1 ZINC000094248439 184769914 /nfs/dbraw/zinc/76/99/14/184769914.db2.gz LDTNIWHHCMGAGC-UHFFFAOYSA-N 1 0 252.383 2.317 10 0 CEAERO CCC[C@@]1(c2nnc3cc(C)nc(C)n32)CCC[NH2+]C1 ZINC000094258860 184770382 /nfs/dbraw/zinc/77/03/82/184770382.db2.gz YIHRTWBNGJJEEN-OAHLLOKOSA-N 1 0 273.384 2.162 10 0 CEAERO [NH3+]C1(CC(=O)Nc2cc(F)cc(F)c2F)CCC1 ZINC000094295345 184777600 /nfs/dbraw/zinc/77/76/00/184777600.db2.gz MJQQICDHWWJGRE-UHFFFAOYSA-N 1 0 258.243 2.314 10 0 CEAERO CC1(C)CC[C@H]([S@@](=O)Cc2ccccc2)[C@@H]1[NH3+] ZINC000094311981 184778596 /nfs/dbraw/zinc/77/85/96/184778596.db2.gz IZRWRSRQUVAKAA-GDZNZVCISA-N 1 0 251.395 2.451 10 0 CEAERO CCOc1cc(C(F)(F)F)nc(C2CC[NH2+]CC2)n1 ZINC000094333980 184782266 /nfs/dbraw/zinc/78/22/66/184782266.db2.gz NWDLPBGZYFJTEW-UHFFFAOYSA-N 1 0 275.274 2.361 10 0 CEAERO CN(CC1CC[NH+](C)CC1)c1nc2cc(N)ccc2o1 ZINC000094352346 184787492 /nfs/dbraw/zinc/78/74/92/184787492.db2.gz KSJYHIAGJARHEU-UHFFFAOYSA-N 1 0 274.368 2.188 10 0 CEAERO C[NH+]1CCC(CNc2nc3ccc(N)cc3o2)CC1 ZINC000094354095 184787526 /nfs/dbraw/zinc/78/75/26/184787526.db2.gz LINHFRBBMCOOAM-UHFFFAOYSA-N 1 0 260.341 2.164 10 0 CEAERO [NH3+]Cc1cccc(O[C@@H]2CCOC3(CCOCC3)C2)c1 ZINC000094361744 184788890 /nfs/dbraw/zinc/78/88/90/184788890.db2.gz VYJCVZRIPDAMOU-OAHLLOKOSA-N 1 0 277.364 2.252 10 0 CEAERO CCC1CCC(O)(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000094374180 184790954 /nfs/dbraw/zinc/79/09/54/184790954.db2.gz RNQBAKHWDHPRIO-MYBQVCMBSA-N 1 0 297.439 2.245 10 0 CEAERO [NH3+]C1CCC(O[C@@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000094381069 184791688 /nfs/dbraw/zinc/79/16/88/184791688.db2.gz UNIATLAPRHJKBT-NWINJMCUSA-N 1 0 271.426 2.328 10 0 CEAERO [NH3+][C@@H]1C=C([C@@H]2CCOC3(CCOCC3)C2)CCC1 ZINC000094416652 184794981 /nfs/dbraw/zinc/79/49/81/184794981.db2.gz NIFKIWCLAXETHG-KGLIPLIRSA-N 1 0 251.370 2.400 10 0 CEAERO CCN(Cc1ccncc1)C(=O)[C@H]1CCCCC[C@H]1[NH3+] ZINC000094751732 184853248 /nfs/dbraw/zinc/85/32/48/184853248.db2.gz OMDKURWCZINVAU-LSDHHAIUSA-N 1 0 275.396 2.338 10 0 CEAERO C[C@]1(c2noc([C@H]3CCCC[C@@H]3[NH3+])n2)CCCO1 ZINC000094781074 184862589 /nfs/dbraw/zinc/86/25/89/184862589.db2.gz MCNFBZLCOISPMC-OUJBWJOFSA-N 1 0 251.330 2.080 10 0 CEAERO C[C@@]1(c2noc(-c3ccccc3CC[NH3+])n2)CCCO1 ZINC000094781341 184863227 /nfs/dbraw/zinc/86/32/27/184863227.db2.gz HJBHNPOUHUJXBA-HNNXBMFYSA-N 1 0 273.336 2.263 10 0 CEAERO CC[C@@H]1CC(=O)N(Cc2cc(C[NH3+])ccc2F)C1 ZINC000094793279 184865883 /nfs/dbraw/zinc/86/58/83/184865883.db2.gz KBMCUBIZHPJWCQ-SNVBAGLBSA-N 1 0 250.317 2.043 10 0 CEAERO COc1ccc(OCC[NH2+]C[C@@]2(C)CCCO2)cc1 ZINC000094801556 184867690 /nfs/dbraw/zinc/86/76/90/184867690.db2.gz RJQUBZFEHSFAPS-OAHLLOKOSA-N 1 0 265.353 2.233 10 0 CEAERO COC(=O)[C@@H](C[NH2+]C[C@@]1(C)CCCO1)c1ccccc1 ZINC000094801875 184867840 /nfs/dbraw/zinc/86/78/40/184867840.db2.gz RDEFMNUMSQKCID-GOEBONIOSA-N 1 0 277.364 2.102 10 0 CEAERO COc1cccc(N2C(=[NH2+])NC[C@@]23CS[C@@H](C)C3)c1 ZINC000094475244 184807815 /nfs/dbraw/zinc/80/78/15/184807815.db2.gz YKQVRZLCMZYXIW-HZMBPMFUSA-N 1 0 277.393 2.094 10 0 CEAERO CC1(C)CCSC[C@@H]1[NH2+]CCCC(=O)NC1CC1 ZINC000094483889 184808423 /nfs/dbraw/zinc/80/84/23/184808423.db2.gz QIVGEEWNNOJYPK-LBPRGKRZSA-N 1 0 270.442 2.167 10 0 CEAERO C[C@H](Cn1ccnc1)[NH2+][C@H]1CSCCC1(C)C ZINC000094483098 184808536 /nfs/dbraw/zinc/80/85/36/184808536.db2.gz XDGMVZVBYWLSGT-NEPJUHHUSA-N 1 0 253.415 2.393 10 0 CEAERO CC[NH2+][C@@H](c1cc(Cl)cnc1N)[C@@H]1CSCCO1 ZINC000094503569 184811539 /nfs/dbraw/zinc/81/15/39/184811539.db2.gz IZUFABNTUIWPMW-QWRGUYRKSA-N 1 0 287.816 2.100 10 0 CEAERO C[C@]12CC3CC([NH2+]CCOCCO)(C1)C[C@@](C)(C3)C2 ZINC000094544578 184815612 /nfs/dbraw/zinc/81/56/12/184815612.db2.gz KBRDHHFGMAQHSY-IRHLINNNSA-N 1 0 267.413 2.334 10 0 CEAERO CC[NH2+]Cc1nnnn1C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000094545297 184816031 /nfs/dbraw/zinc/81/60/31/184816031.db2.gz JEBXZPVGJOBQOP-PYCGDYPRSA-N 1 0 289.427 2.488 10 0 CEAERO Cc1ccc2nc(NC(=O)[C@@H]3CC[C@@H](C[NH3+])O3)sc2c1 ZINC000094563049 184818444 /nfs/dbraw/zinc/81/84/44/184818444.db2.gz DHQWUHKJZHWWAD-ONGXEEELSA-N 1 0 291.376 2.050 10 0 CEAERO [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2c(Cl)cccc2Cl)O1 ZINC000094572784 184821400 /nfs/dbraw/zinc/82/14/00/184821400.db2.gz QNHZHIPJFCIBOV-XCBNKYQSSA-N 1 0 289.162 2.438 10 0 CEAERO Cc1ccc(-c2cnc(N3CCC[NH2+]CC3)nc2)cc1 ZINC000094577244 184821801 /nfs/dbraw/zinc/82/18/01/184821801.db2.gz GWMZNAKISKGCQR-UHFFFAOYSA-N 1 0 268.364 2.252 10 0 CEAERO Cc1ccn2nc(NC[C@H](C)C[NH+]3CCCC3)nc2c1 ZINC000094605664 184825037 /nfs/dbraw/zinc/82/50/37/184825037.db2.gz ASQVKGICPJPUSJ-ZDUSSCGKSA-N 1 0 273.384 2.182 10 0 CEAERO C[NH2+][C@@]1(CO)CCC[C@H]1CCSc1ccncc1 ZINC000094616512 184827417 /nfs/dbraw/zinc/82/74/17/184827417.db2.gz NAUUIYIWLKLIIT-GXTWGEPZSA-N 1 0 266.410 2.314 10 0 CEAERO CCN(CC)C(=O)[C@@H](C)Oc1ccc(F)cc1[C@@H](C)[NH3+] ZINC000094619965 184828042 /nfs/dbraw/zinc/82/80/42/184828042.db2.gz IFBDCUBJCPJDLW-GHMZBOCLSA-N 1 0 282.359 2.481 10 0 CEAERO C[C@@H]1CC[C@]([NH3+])([C@@H]2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC000094640262 184832154 /nfs/dbraw/zinc/83/21/54/184832154.db2.gz WDIKREOWDWGWAO-FVCCEPFGSA-N 1 0 259.415 2.107 10 0 CEAERO C[NH2+][C@H](Cc1ccccc1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094641632 184832414 /nfs/dbraw/zinc/83/24/14/184832414.db2.gz WTHQDZXMQUPZOJ-OWCLPIDISA-N 1 0 295.448 2.421 10 0 CEAERO CC[C@@H]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)[C@@H]1C ZINC000094648625 184834146 /nfs/dbraw/zinc/83/41/46/184834146.db2.gz DQHAWFWNWMQZEX-KSTCHIGDSA-N 1 0 252.402 2.315 10 0 CEAERO C[C@@H]([NH3+])Cc1ccc(OCc2cccc(O)c2)cn1 ZINC000094687319 184839350 /nfs/dbraw/zinc/83/93/50/184839350.db2.gz VWFMVTZJUUWKFM-LLVKDONJSA-N 1 0 258.321 2.256 10 0 CEAERO C[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1ccc(O)cc1 ZINC000094690260 184839943 /nfs/dbraw/zinc/83/99/43/184839943.db2.gz UNAIEJKVNABGCP-MLGOLLRUSA-N 1 0 260.381 2.355 10 0 CEAERO C[C@H]1CCC[C@H](CNC(=O)Cc2cccc(F)c2F)[NH2+]1 ZINC000094712170 184845730 /nfs/dbraw/zinc/84/57/30/184845730.db2.gz XVDXAPDOZRCYNA-CMPLNLGQSA-N 1 0 282.334 2.154 10 0 CEAERO CCC[C@@H](CC[NH3+])CCC(=O)N(C)CCOCC1CC1 ZINC000094988427 184911651 /nfs/dbraw/zinc/91/16/51/184911651.db2.gz BZKUDFWWYNSCOY-CQSZACIVSA-N 1 0 284.444 2.417 10 0 CEAERO CO[C@@H]1CCC[C@@H](Oc2cc([C@@H](C)[NH3+])ccn2)C1 ZINC000095001971 184913483 /nfs/dbraw/zinc/91/34/83/184913483.db2.gz CRTFPJAKTBHTGL-RAIGVLPGSA-N 1 0 250.342 2.438 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@@H]([C@H](CCO)[NH2+]C2CC2)C1 ZINC000095084712 184939196 /nfs/dbraw/zinc/93/91/96/184939196.db2.gz PSGLTJIXVJZIHG-OCCSQVGLSA-N 1 0 298.427 2.137 10 0 CEAERO [NH3+]CC1(Nc2ncnc3c2CCCC3)CCCCC1 ZINC000094873137 184885152 /nfs/dbraw/zinc/88/51/52/184885152.db2.gz CIXJOLZEKAUHTM-UHFFFAOYSA-N 1 0 260.385 2.429 10 0 CEAERO CC[C@H](C[NH3+])C(=O)NCc1cc(C)c(F)c(C)c1 ZINC000094894120 184889412 /nfs/dbraw/zinc/88/94/12/184889412.db2.gz GOIOVZGUTLKEEB-GFCCVEGCSA-N 1 0 252.333 2.044 10 0 CEAERO CC[C@H](CCO)C[NH2+][C@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000094949425 184901462 /nfs/dbraw/zinc/90/14/62/184901462.db2.gz ALBKOZSQTXMDCL-VXGBXAGGSA-N 1 0 292.379 2.077 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)C[NH2+]C(C)C)cc1F ZINC000094956487 184903858 /nfs/dbraw/zinc/90/38/58/184903858.db2.gz NZZQCFWTQRGURB-LLVKDONJSA-N 1 0 252.333 2.309 10 0 CEAERO CCC[NH2+]C[C@@H]1CCCCN1Cc1nccs1 ZINC000094967472 184907405 /nfs/dbraw/zinc/90/74/05/184907405.db2.gz BCQQWWBCJPRZEK-LBPRGKRZSA-N 1 0 253.415 2.497 10 0 CEAERO C[C@@H](Nc1ccc(N2CCCC2)nc1)[C@H]1CC[NH2+]C1 ZINC000400534025 533554505 /nfs/dbraw/zinc/55/45/05/533554505.db2.gz SNTRSHWNVZYLBG-OLZOCXBDSA-N 1 0 260.385 2.092 10 0 CEAERO C[C@@H](Nc1ccc(OCC(F)(F)F)nc1)[C@@H]1CC[NH2+]C1 ZINC000400454398 533555746 /nfs/dbraw/zinc/55/57/46/533555746.db2.gz PLVUTBBMVPPRMP-NXEZZACHSA-N 1 0 289.301 2.433 10 0 CEAERO OCCNc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC000013488082 134494736 /nfs/dbraw/zinc/49/47/36/134494736.db2.gz BWIGAKMTCNFCFE-UHFFFAOYSA-N 1 0 269.348 2.049 10 0 CEAERO Cc1cc(C)nc(N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000037918270 134850930 /nfs/dbraw/zinc/85/09/30/134850930.db2.gz DDHDTRKFKLLXAO-KBPBESRZSA-N 1 0 260.385 2.062 10 0 CEAERO C[C@@H](C[NH2+]C1CC1)CN1C(=O)COc2ccc(Cl)cc21 ZINC000070527100 134952416 /nfs/dbraw/zinc/95/24/16/134952416.db2.gz ZKKLXPVUYXPPQY-JTQLQIEISA-N 1 0 294.782 2.454 10 0 CEAERO CC[NH2+][C@@H]1CCCN(c2cc(F)ccc2C)C1=O ZINC000071033498 134955331 /nfs/dbraw/zinc/95/53/31/134955331.db2.gz SCXSZAPWHDMSAH-GFCCVEGCSA-N 1 0 250.317 2.239 10 0 CEAERO CC(C)Oc1cncc(N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000071175973 134958829 /nfs/dbraw/zinc/95/88/29/134958829.db2.gz JYJBDLHRQZEEJF-KBPBESRZSA-N 1 0 290.411 2.232 10 0 CEAERO Nc1cc[nH+]cc1C(=O)N1CCCc2ccccc21 ZINC000082322447 135006928 /nfs/dbraw/zinc/00/69/28/135006928.db2.gz AJAWROOJZXRCCX-UHFFFAOYSA-N 1 0 253.305 2.257 10 0 CEAERO C[C@@H]1Cc2ccccc2N(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000085375352 135036586 /nfs/dbraw/zinc/03/65/86/135036586.db2.gz TUIRZGCMKNGZAL-BNOWGMLFSA-N 1 0 258.365 2.339 10 0 CEAERO CN1C(=O)C[C@@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)c2ccccc21 ZINC000085963539 135038675 /nfs/dbraw/zinc/03/86/75/135038675.db2.gz PQGLTBSYLCONLG-BJJXKVORSA-N 1 0 288.391 2.235 10 0 CEAERO c1ccc(C[C@H]2CN(c3cccnc3)CC[NH2+]2)cc1 ZINC000086122171 135038783 /nfs/dbraw/zinc/03/87/83/135038783.db2.gz UVEZYMAABVLSNW-HNNXBMFYSA-N 1 0 253.349 2.103 10 0 CEAERO c1cc(N2CC[NH2+][C@H](C3CC3)C2)ccc1N1CCCC1 ZINC000086148781 135039502 /nfs/dbraw/zinc/03/95/02/135039502.db2.gz XEGMQYLVUGYULP-KRWDZBQOSA-N 1 0 271.408 2.475 10 0 CEAERO C[C@@H]1CCC[C@]1(C[NH3+])N1CCN(c2ccccc2F)CC1 ZINC000086676606 135048248 /nfs/dbraw/zinc/04/82/48/135048248.db2.gz IQETVHJVIUZCNR-RHSMWYFYSA-N 1 0 291.414 2.465 10 0 CEAERO C[C@@H]1C[C@@H]([NH3+])CN(c2ccc(Br)cn2)C1 ZINC000087042893 135049068 /nfs/dbraw/zinc/04/90/68/135049068.db2.gz ZTICGXVOHMSWAT-PSASIEDQSA-N 1 0 270.174 2.018 10 0 CEAERO Cc1cc(Br)cnc1N1C[C@@H](C)C[C@H]([NH3+])C1 ZINC000087043129 135049115 /nfs/dbraw/zinc/04/91/15/135049115.db2.gz APTOEWHUVBAEFP-KWQFWETISA-N 1 0 284.201 2.326 10 0 CEAERO [NH3+][C@H]1Cc2ccccc2N(CCC[C@@H]2CCCO2)C1 ZINC000087266449 135049821 /nfs/dbraw/zinc/04/98/21/135049821.db2.gz NSSTVRPAYFBGKR-LSDHHAIUSA-N 1 0 260.381 2.336 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H](C(=O)N2C[C@@H](C)Cc3ccccc32)C1 ZINC000088451192 135054819 /nfs/dbraw/zinc/05/48/19/135054819.db2.gz JNISRXRMUMMFHR-KCQAQPDRSA-N 1 0 272.392 2.457 10 0 CEAERO [NH3+][C@H]1CCN(CCOC(F)(F)F)c2ccccc21 ZINC000089051131 135057685 /nfs/dbraw/zinc/05/76/85/135057685.db2.gz QYANSETXUJLFSW-JTQLQIEISA-N 1 0 260.259 2.433 10 0 CEAERO C[NH2+]CCCCS(=O)(=O)N1C[C@@H](C)Cc2ccccc21 ZINC000089036102 135057742 /nfs/dbraw/zinc/05/77/42/135057742.db2.gz PVZUGDDLUJYXOQ-ZDUSSCGKSA-N 1 0 296.436 2.015 10 0 CEAERO CC(C)C[C@@H](C)[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000089733345 135060368 /nfs/dbraw/zinc/06/03/68/135060368.db2.gz CJZKGXYVZHPXIO-ZIAGYGMSSA-N 1 0 262.401 2.470 10 0 CEAERO CCn1cncc1[C@H](C[NH3+])N1CCCc2ccccc21 ZINC000090174263 135062443 /nfs/dbraw/zinc/06/24/43/135062443.db2.gz INEJBYVPJAQSNU-HNNXBMFYSA-N 1 0 270.380 2.356 10 0 CEAERO CCCn1cncc1CN1C[C@H]([NH3+])Cc2ccccc21 ZINC000090236430 135062814 /nfs/dbraw/zinc/06/28/14/135062814.db2.gz MGEJVSTXKYCBLA-CQSZACIVSA-N 1 0 270.380 2.183 10 0 CEAERO CCOc1ncnc(N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1C ZINC000090789555 135065633 /nfs/dbraw/zinc/06/56/33/135065633.db2.gz AILRPKZSZNNWNT-KGLIPLIRSA-N 1 0 290.411 2.152 10 0 CEAERO CC(C)(C)[NH2+]Cc1ccnc(N2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000090907715 135066632 /nfs/dbraw/zinc/06/66/32/135066632.db2.gz LFOCAIPEJYNEKC-OKILXGFUSA-N 1 0 275.396 2.337 10 0 CEAERO C[NH+](C)[C@H]1CCCN(c2c(F)cc(N)cc2F)C1 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CC1(C)CC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)[C@@H]1O ZINC000094319369 135086113 /nfs/dbraw/zinc/08/61/13/135086113.db2.gz XJNLVYONPVNUQS-HOCLYGCPSA-N 1 0 289.423 2.001 10 0 CEAERO Nc1ccc2nc(N3CC[N@@H+]4CCCC[C@@H]4C3)ccc2c1 ZINC000094439049 135087841 /nfs/dbraw/zinc/08/78/41/135087841.db2.gz WPEHATBAQHRYIJ-OAHLLOKOSA-N 1 0 282.391 2.492 10 0 CEAERO CCc1cnc(CN2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)o1 ZINC000300404588 394454991 /nfs/dbraw/zinc/45/49/91/394454991.db2.gz GQHBQOMWSJHEKZ-OLZOCXBDSA-N 1 0 263.385 2.296 10 0 CEAERO C[C@@H]1CN(C(=O)c2cc3c(s2)CCCC3)C[C@@H]1[NH3+] ZINC000235372993 394483673 /nfs/dbraw/zinc/48/36/73/394483673.db2.gz WXFWKRODDBJQBN-KOLCDFICSA-N 1 0 264.394 2.046 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCc2ccccc2F)C1 ZINC000052500721 394558295 /nfs/dbraw/zinc/55/82/95/394558295.db2.gz RTWYVPRVYHFDJN-CQSZACIVSA-N 1 0 293.386 2.152 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1c(F)c(F)nc(F)c1F ZINC000251752435 394569142 /nfs/dbraw/zinc/56/91/42/394569142.db2.gz LKBSWXJEEVUACI-YUMQZZPRSA-N 1 0 289.276 2.311 10 0 CEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCSC(C)(C)C2)C1 ZINC000246820350 394521767 /nfs/dbraw/zinc/52/17/67/394521767.db2.gz DMPWTAOBYVRNCQ-QWHCGFSZSA-N 1 0 299.484 2.252 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1C[C@@H]1C(C)C ZINC000249361370 394554082 /nfs/dbraw/zinc/55/40/82/394554082.db2.gz SOTKZTFZYMXBFF-TUVASFSCSA-N 1 0 264.413 2.364 10 0 CEAERO COc1c(C[N@H+](C)[C@H](C)C2(C)CC2)c(C)nn1C ZINC000091900684 394659342 /nfs/dbraw/zinc/65/93/42/394659342.db2.gz KPJJQFPLNJPCDB-LLVKDONJSA-N 1 0 251.374 2.358 10 0 CEAERO Cc1nc([C@@H]2CCCN(C(=O)[C@H]3CCC[NH2+]3)C2)sc1C ZINC000261789592 394607276 /nfs/dbraw/zinc/60/72/76/394607276.db2.gz UUNDOLFFDGOCSH-CHWSQXEVSA-N 1 0 293.436 2.218 10 0 CEAERO CC(C)n1ncc2cc(CN3C[C@H](C)[NH2+]C[C@H]3C)cnc21 ZINC000261997065 394610962 /nfs/dbraw/zinc/61/09/62/394610962.db2.gz KUYCZHJIPIPXNB-QWHCGFSZSA-N 1 0 287.411 2.194 10 0 CEAERO CC(C)C[C@@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)N(C)C 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CCC[C@H](C(=O)NC[C@H]1CCCO[C@@H]1C(C)C)[NH+](C)C ZINC000132962753 394940952 /nfs/dbraw/zinc/94/09/52/394940952.db2.gz KDUHTDLIOARKRV-RBSFLKMASA-N 1 0 284.444 2.284 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCCCOC(C)C ZINC000133327497 394948926 /nfs/dbraw/zinc/94/89/26/394948926.db2.gz CCOCGVHBGKKQTH-OAHLLOKOSA-N 1 0 299.459 2.221 10 0 CEAERO C[C@@H]1CC[C@@H](C(=O)N2CCC(CCC[NH+](C)C)CC2)O1 ZINC000133319868 394948987 /nfs/dbraw/zinc/94/89/87/394948987.db2.gz UYMYFFMTQOVXEB-HIFRSBDPSA-N 1 0 282.428 2.134 10 0 CEAERO COC[C@H](C)[N@@H+]1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000173780147 395115812 /nfs/dbraw/zinc/11/58/12/395115812.db2.gz ZHBULTBXOIHZPV-KBPBESRZSA-N 1 0 263.385 2.159 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(Cl)c[nH]1 ZINC000175015266 395129566 /nfs/dbraw/zinc/12/95/66/395129566.db2.gz HGGIRPKWYNNEAA-NWDGAFQWSA-N 1 0 281.787 2.367 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C)o1 ZINC000175032308 395130936 /nfs/dbraw/zinc/13/09/36/395130936.db2.gz XXCOUQDLMOIODY-QWHCGFSZSA-N 1 0 262.353 2.287 10 0 CEAERO Cc1ccc([C@H]2CCCC[N@@H+]2CCCC(=O)NC(N)=O)o1 ZINC000172868832 395107160 /nfs/dbraw/zinc/10/71/60/395107160.db2.gz AEFVJWXTNLRVTN-GFCCVEGCSA-N 1 0 293.367 2.090 10 0 CEAERO C[C@H]1CC[C@@H](C(=O)N(CC[NH+](C)C)C2CCCCC2)O1 ZINC000178260320 300029750 /nfs/dbraw/zinc/02/97/50/300029750.db2.gz CPLIDMMVUCKWOA-ZFWWWQNUSA-N 1 0 282.428 2.277 10 0 CEAERO CC(C)([NH3+])c1cn(Cc2cnc3ccccc3c2)nn1 ZINC000379668113 395164986 /nfs/dbraw/zinc/16/49/86/395164986.db2.gz ALTNGHUNIMIXPM-UHFFFAOYSA-N 1 0 267.336 2.068 10 0 CEAERO CC[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1C[C@@H](OC)C1CC1 ZINC000381182957 395172737 /nfs/dbraw/zinc/17/27/37/395172737.db2.gz IXLRGTDIIKJJJE-BZUAXINKSA-N 1 0 266.429 2.360 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@@H](C)c2csc(C)c2)C1 ZINC000381427673 395175669 /nfs/dbraw/zinc/17/56/69/395175669.db2.gz BYXRMHGBSBBOJN-JSGCOSHPSA-N 1 0 268.426 2.428 10 0 CEAERO [NH3+]C1CCC(C(=O)Nc2ccc3c(c2)CCCO3)CC1 ZINC000383869332 395189330 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/nfs/dbraw/zinc/07/21/08/165072108.db2.gz LBEFWTUOYCGNAK-ZIAGYGMSSA-N 1 0 267.417 2.443 10 0 CEAERO CSCCC[N@@H+]1CCC[C@H](Cc2noc(C)n2)C1 ZINC000173645690 165078660 /nfs/dbraw/zinc/07/86/60/165078660.db2.gz UFYULHBQOHALKJ-GFCCVEGCSA-N 1 0 269.414 2.386 10 0 CEAERO CCc1cnc(NC(=O)N[C@H]2CCC[N@@H+](CC)C2)s1 ZINC000174224451 165096052 /nfs/dbraw/zinc/09/60/52/165096052.db2.gz HDJIMBSMHXAMCP-JTQLQIEISA-N 1 0 282.413 2.311 10 0 CEAERO CC(C)[C@@H](C)NC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000175525772 165137401 /nfs/dbraw/zinc/13/74/01/165137401.db2.gz LXGDGAWDCDBYEZ-CQSZACIVSA-N 1 0 299.459 2.173 10 0 CEAERO C[C@H]([NH2+]CCOCC(F)(F)C(F)(F)F)[C@@H]1CCCO1 ZINC000175971513 165152086 /nfs/dbraw/zinc/15/20/86/165152086.db2.gz PXVGXQJAHSJEOW-IUCAKERBSA-N 1 0 291.260 2.358 10 0 CEAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)CC2CCCC2)CC1 ZINC000176875572 165177093 /nfs/dbraw/zinc/17/70/93/165177093.db2.gz GQJMJLQWHUNIKF-CQSZACIVSA-N 1 0 296.455 2.118 10 0 CEAERO CCOc1ncccc1C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000177005506 165181167 /nfs/dbraw/zinc/18/11/67/165181167.db2.gz JSSMRCRAKFIXLF-ZDUSSCGKSA-N 1 0 291.395 2.037 10 0 CEAERO C[C@@H]1C[N@H+](CCC(C)(C)C)C[C@@H]1N1CCOCC1 ZINC000177276362 165193059 /nfs/dbraw/zinc/19/30/59/165193059.db2.gz HWEAZMFFMWQUMQ-KGLIPLIRSA-N 1 0 254.418 2.075 10 0 CEAERO CCc1cc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)oc1CC ZINC000178577067 165248884 /nfs/dbraw/zinc/24/88/84/165248884.db2.gz OJHXDCNVFUEMKS-ZDUSSCGKSA-N 1 0 276.380 2.325 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cnn(C(C)C)c1 ZINC000179559028 165285815 /nfs/dbraw/zinc/28/58/15/165285815.db2.gz UCDIMFUILARKRJ-HNNXBMFYSA-N 1 0 264.417 2.380 10 0 CEAERO COCCC[C@@H](C)[NH2+][C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000180520206 165313312 /nfs/dbraw/zinc/31/33/12/165313312.db2.gz IJBFHUAUTVSVNU-CHWSQXEVSA-N 1 0 280.416 2.121 10 0 CEAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H](C)C(C)C)CC2 ZINC000180505257 165313778 /nfs/dbraw/zinc/31/37/78/165313778.db2.gz VJWWHCDNWVKKCX-VXGBXAGGSA-N 1 0 250.390 2.350 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)OC(C)(C)C ZINC000180836048 165320130 /nfs/dbraw/zinc/32/01/30/165320130.db2.gz FYEUGNKUCUAPSL-UONOGXRCSA-N 1 0 282.428 2.277 10 0 CEAERO Cn1c(C[NH2+][C@@H](CCO)C2CCCCC2)nnc1C1CC1 ZINC000181492114 165344601 /nfs/dbraw/zinc/34/46/01/165344601.db2.gz FZWBPDQUQRUSFU-AWEZNQCLSA-N 1 0 292.427 2.113 10 0 CEAERO c1cc(C2CC[NH+](CCO[C@H]3CCCCO3)CC2)n[nH]1 ZINC000181670699 165352969 /nfs/dbraw/zinc/35/29/69/165352969.db2.gz KSCCQHZULXPWES-HNNXBMFYSA-N 1 0 279.384 2.132 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCCCOC(C)C ZINC000181922437 165360053 /nfs/dbraw/zinc/36/00/53/165360053.db2.gz JLIHQNKOVFMUFE-OAHLLOKOSA-N 1 0 299.459 2.317 10 0 CEAERO Cc1ccccc1C[N@@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246564004 165483986 /nfs/dbraw/zinc/48/39/86/165483986.db2.gz VAQBQNVSJNKTPM-RDJZCZTQSA-N 1 0 274.408 2.148 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(C(=O)c2c[nH]c3ccccc23)C1 ZINC000003788487 169912580 /nfs/dbraw/zinc/91/25/80/169912580.db2.gz CQLMPRVJRPPDRW-GFCCVEGCSA-N 1 0 271.364 2.334 10 0 CEAERO CC(C)C[C@@](CC[NH2+]C(C)C)(C(N)=O)c1ccccn1 ZINC000005138300 170070095 /nfs/dbraw/zinc/07/00/95/170070095.db2.gz LOOAPMDVMHIKDJ-MRXNPFEDSA-N 1 0 277.412 2.239 10 0 in-vitro CEAERO CC[NH+](CC)CCn1nc(-c2ccccc2)ccc1=O ZINC000005388293 170093208 /nfs/dbraw/zinc/09/32/08/170093208.db2.gz IRTYEKDQTLTOKJ-UHFFFAOYSA-N 1 0 271.364 2.252 10 0 CEAERO CCc1ccc(OC[C@@H](O)C[NH3+])c(C(C)(C)C)c1 ZINC000008028916 170314828 /nfs/dbraw/zinc/31/48/28/170314828.db2.gz LHDUOQRQMOFEIP-LBPRGKRZSA-N 1 0 251.370 2.245 10 0 CEAERO [NH3+]Cc1c(OCCN2CCOCC2)ccc2ccccc21 ZINC000011955340 170461805 /nfs/dbraw/zinc/46/18/05/170461805.db2.gz GREAUWKKZZMKEA-UHFFFAOYSA-N 1 0 286.375 2.010 10 0 CEAERO O=C(NCc1ccccc1F)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000019433368 170798483 /nfs/dbraw/zinc/79/84/83/170798483.db2.gz KCUMKOFKLIBMCO-BYCMXARLSA-N 1 0 276.355 2.363 10 0 CEAERO [NH3+][C@@H](c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1F ZINC000019842781 170891490 /nfs/dbraw/zinc/89/14/90/170891490.db2.gz LALFRGWVYGIVHP-ZDUSSCGKSA-N 1 0 257.268 2.043 10 0 CEAERO Oc1ccc2c(c1)OC[C@@H]2[NH2+]CCc1ccccn1 ZINC000019916839 170926121 /nfs/dbraw/zinc/92/61/21/170926121.db2.gz YDOCVTWNIIJMIS-AWEZNQCLSA-N 1 0 256.305 2.053 10 0 CEAERO CCOc1ccc(C[NH2+][C@H]2CN3CCC2CC3)cc1 ZINC000019946061 170936623 /nfs/dbraw/zinc/93/66/23/170936623.db2.gz DBVCLHFYXXRSEN-INIZCTEOSA-N 1 0 260.381 2.269 10 0 CEAERO COc1ccc(CC[NH2+]C[C@H]2CCCO2)cc1OC ZINC000020040383 170975756 /nfs/dbraw/zinc/97/57/56/170975756.db2.gz WHCBRSPDTTYUIW-CYBMUJFWSA-N 1 0 265.353 2.015 10 0 CEAERO CC(C)CC[NH2+]C[C@H](CC(C)C)N1CCOCC1 ZINC000020144276 171029850 /nfs/dbraw/zinc/02/98/50/171029850.db2.gz CDGYOVYDXKCWKU-HNNXBMFYSA-N 1 0 256.434 2.369 10 0 CEAERO C[C@@H]([NH2+]CCc1cccs1)C(=O)NC(C)(C)C ZINC000020358499 171157388 /nfs/dbraw/zinc/15/73/88/171157388.db2.gz DWIQYIJDSDKBOG-SNVBAGLBSA-N 1 0 254.399 2.183 10 0 CEAERO CCCNC(=O)[C@@H](C)[NH2+]CCCN(C)c1ccccc1 ZINC000020361870 171159884 /nfs/dbraw/zinc/15/98/84/171159884.db2.gz LYQUNCXSEWJGAY-CQSZACIVSA-N 1 0 277.412 2.017 10 0 CEAERO [NH3+]CCc1nn2c(nnc2-c2ccccc2Cl)s1 ZINC000020391711 171180076 /nfs/dbraw/zinc/18/00/76/171180076.db2.gz LKNAYKXBXOKFNL-UHFFFAOYSA-N 1 0 279.756 2.007 10 0 CEAERO CCOc1cc2c(cc1C[NH2+]CCN(C)C)O[C@@H](C)C2 ZINC000022141147 171355145 /nfs/dbraw/zinc/35/51/45/171355145.db2.gz ZPGWZMGDYSJENI-LBPRGKRZSA-N 1 0 278.396 2.060 10 0 CEAERO COc1cc(N)ccc1NC(=O)CC[NH+]1CCC(C)CC1 ZINC000022155242 171362171 /nfs/dbraw/zinc/36/21/71/171362171.db2.gz QONWPLPRLAMTAK-UHFFFAOYSA-N 1 0 291.395 2.338 10 0 CEAERO CC(C)[N@H+](C)CCC(=O)Nc1ccc(F)c(N)c1 ZINC000022170609 171367689 /nfs/dbraw/zinc/36/76/89/171367689.db2.gz WHUOZBGWWAJQIY-UHFFFAOYSA-N 1 0 253.321 2.077 10 0 CEAERO [NH3+]Cc1ccc(Oc2ccc3c(c2)CCC(=O)N3)nc1 ZINC000022171088 171368382 /nfs/dbraw/zinc/36/83/82/171368382.db2.gz WSPZUZFMMWWECW-UHFFFAOYSA-N 1 0 269.304 2.217 10 0 CEAERO COc1cc(N)ccc1NC(=O)C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000022172522 171368722 /nfs/dbraw/zinc/36/87/22/171368722.db2.gz JOUYSKGPBSVUOV-RYUDHWBXSA-N 1 0 291.395 2.479 10 0 CEAERO [NH3+]C[C@@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000022173455 171369381 /nfs/dbraw/zinc/36/93/81/171369381.db2.gz RBPYRKOQYXOBEX-GFCCVEGCSA-N 1 0 259.305 2.177 10 0 CEAERO C[C@@H]1CN([C@@H](C[NH3+])c2ccc(OC(F)F)cc2)CCO1 ZINC000022218415 171376986 /nfs/dbraw/zinc/37/69/86/171376986.db2.gz UWOKNOAYIVEAOZ-MFKMUULPSA-N 1 0 286.322 2.009 10 0 CEAERO COc1ccc([C@@H](N)C[N@H+](C)C(C)C)c(OC)c1 ZINC000022564987 171391745 /nfs/dbraw/zinc/39/17/45/171391745.db2.gz JYWBQINQNMATBU-ZDUSSCGKSA-N 1 0 252.358 2.044 10 0 CEAERO C[NH2+][C@@H](C)c1ccccc1Sc1nccc(=O)[nH]1 ZINC000034669215 171855881 /nfs/dbraw/zinc/85/58/81/171855881.db2.gz OJRIZRLYIYIPNN-VIFPVBQESA-N 1 0 261.350 2.202 10 0 CEAERO C[NH2+][C@@H](C)c1cccc(O[C@@H](C)C(=O)NC(C)C)c1 ZINC000034821986 171875118 /nfs/dbraw/zinc/87/51/18/171875118.db2.gz FRJOSPWKLFXSIP-RYUDHWBXSA-N 1 0 264.369 2.259 10 0 CEAERO CC[NH2+]Cc1c(C)nn(C)c1N(CC)CC(C)C ZINC000034825073 171879797 /nfs/dbraw/zinc/87/97/97/171879797.db2.gz HDUUJGUPAQEBGX-UHFFFAOYSA-N 1 0 252.406 2.320 10 0 CEAERO COC(=O)c1cc(C[NH2+][C@H](C)[C@H]2CCCO2)oc1C ZINC000035273875 172094131 /nfs/dbraw/zinc/09/41/31/172094131.db2.gz XEKFTMGGTZHHSF-NOZJJQNGSA-N 1 0 267.325 2.032 10 0 CEAERO C[C@H]([NH3+])c1ccc2ccccc2c1O[C@@H](C)C(N)=O ZINC000035427253 172194412 /nfs/dbraw/zinc/19/44/12/172194412.db2.gz PQENBEDAGNGBHA-UWVGGRQHSA-N 1 0 258.321 2.112 10 0 CEAERO CN(c1nc2sccn2c1C[NH2+]C1CC1)C1CC1 ZINC000035430076 172198453 /nfs/dbraw/zinc/19/84/53/172198453.db2.gz NMUCXJVHVSKNKU-UHFFFAOYSA-N 1 0 262.382 2.246 10 0 CEAERO C[NH2+][C@H](c1cccnc1)c1ccc(OC)c(OC)c1 ZINC000035463283 172211039 /nfs/dbraw/zinc/21/10/39/172211039.db2.gz WFBLDVIWWKWIKB-HNNXBMFYSA-N 1 0 258.321 2.408 10 0 CEAERO C[NH2+][C@H](c1ccoc1C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000035488370 172223179 /nfs/dbraw/zinc/22/31/79/172223179.db2.gz MCCMLPJYZQFFDC-ZDUSSCGKSA-N 1 0 257.293 2.066 10 0 CEAERO CC[NH2+][C@@H](Cc1ccc(OC)cc1)c1cnn(C)c1 ZINC000035556206 172262789 /nfs/dbraw/zinc/26/27/89/172262789.db2.gz IENLRRXQWJLVPA-HNNXBMFYSA-N 1 0 259.353 2.322 10 0 CEAERO O=C(CN1CC[NH2+]CC1)c1ccc(-c2ccccc2)cc1 ZINC000035577185 172273708 /nfs/dbraw/zinc/27/37/08/172273708.db2.gz LJJZFRPKWQDWBK-UHFFFAOYSA-N 1 0 280.371 2.442 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N[C@H](C)C(C)C)cc1 ZINC000035633676 172317260 /nfs/dbraw/zinc/31/72/60/172317260.db2.gz RZZKEBWJQVSPSN-NEPJUHHUSA-N 1 0 284.425 2.290 10 0 CEAERO CC[NH2+][C@H](C)c1cccc(NC(=O)COCC)c1 ZINC000035635389 172320192 /nfs/dbraw/zinc/32/01/92/172320192.db2.gz OGHDIFDUYUIBGA-LLVKDONJSA-N 1 0 250.342 2.332 10 0 CEAERO CCC[NH2+]CCOc1c(OC)cc(C)cc1OC ZINC000035679107 172349502 /nfs/dbraw/zinc/34/95/02/172349502.db2.gz UDVSBUKHRLRCNJ-UHFFFAOYSA-N 1 0 253.342 2.391 10 0 CEAERO C[C@@H](NC(=O)Cc1ccc(F)cc1)[C@H]1CCCC[NH2+]1 ZINC000035690811 172359466 /nfs/dbraw/zinc/35/94/66/172359466.db2.gz SNGWRJYYBJPEJZ-BXUZGUMPSA-N 1 0 264.344 2.015 10 0 CEAERO C[C@H](NC(=O)c1cccc(C[NH3+])c1)c1ccccn1 ZINC000035694385 172363229 /nfs/dbraw/zinc/36/32/29/172363229.db2.gz YAEMIFXOKUFTCM-NSHDSACASA-N 1 0 255.321 2.031 10 0 CEAERO C[N@H+](CCCn1cc(N)ccc1=O)Cc1ccsc1 ZINC000035718356 172371991 /nfs/dbraw/zinc/37/19/91/172371991.db2.gz UYBOGVCKMCGPDS-UHFFFAOYSA-N 1 0 277.393 2.014 10 0 CEAERO C[C@H](NC(=O)[C@H]([NH3+])Cc1ccccc1)c1cccs1 ZINC000035736836 172389659 /nfs/dbraw/zinc/38/96/59/172389659.db2.gz CZYVZORSEYHVDA-WCQYABFASA-N 1 0 274.389 2.495 10 0 CEAERO COc1ccc(Br)cc1[C@H](O)[C@H]1CCC[NH2+]1 ZINC000036176972 172496437 /nfs/dbraw/zinc/49/64/37/172496437.db2.gz LCZIFQDPOOOSLT-PWSUYJOCSA-N 1 0 286.169 2.243 10 0 CEAERO CC[C@@H](CC(N)=S)[N@H+](C)CCc1ccccn1 ZINC000036677916 172651358 /nfs/dbraw/zinc/65/13/58/172651358.db2.gz PPICKFHPMVYVFB-LBPRGKRZSA-N 1 0 251.399 2.011 10 0 CEAERO CC(C)C[C@H]([NH3+])C(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000037018341 172880397 /nfs/dbraw/zinc/88/03/97/172880397.db2.gz MEYJIVCWMPDXDR-VIFPVBQESA-N 1 0 284.743 2.381 10 0 CEAERO COc1ccc(OC)c(C[NH2+][C@@H]2CCC[C@@H](O)C2)c1 ZINC000037166264 173000961 /nfs/dbraw/zinc/00/09/61/173000961.db2.gz LKRYNCMGPUJNBD-CHWSQXEVSA-N 1 0 265.353 2.097 10 0 CEAERO Cc1ccc([C@H](C[NH3+])N(C)[C@@H]2CCSC2)s1 ZINC000037174543 173009550 /nfs/dbraw/zinc/00/95/50/173009550.db2.gz HKIHGVZVVWTHKI-MNOVXSKESA-N 1 0 256.440 2.494 10 0 CEAERO CC(C)[NH2+]Cc1ccc(I)o1 ZINC000037186244 173017150 /nfs/dbraw/zinc/01/71/50/173017150.db2.gz WGCZVIZOGPOHFK-UHFFFAOYSA-N 1 0 265.094 2.382 10 0 CEAERO CNC(=O)C[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000037208009 173029454 /nfs/dbraw/zinc/02/94/54/173029454.db2.gz YNGKXPKEYROWIK-UHFFFAOYSA-N 1 0 278.299 2.134 10 0 CEAERO COCCOCCC[NH2+][C@H](C)c1scnc1C ZINC000037237713 173055480 /nfs/dbraw/zinc/05/54/80/173055480.db2.gz HEOYTOKMOVMLFD-SNVBAGLBSA-N 1 0 258.387 2.155 10 0 CEAERO CCC[NH2+][C@@H]1CCN(c2cc(OC)ccc2OC)C1 ZINC000037240724 173056988 /nfs/dbraw/zinc/05/69/88/173056988.db2.gz YDYWLGSSNSABJI-GFCCVEGCSA-N 1 0 264.369 2.282 10 0 CEAERO OCC[NH2+][C@@H]1CCOc2c(Cl)cc(Cl)cc21 ZINC000037250662 173062685 /nfs/dbraw/zinc/06/26/85/173062685.db2.gz RYLSFTMRRJHBRJ-SNVBAGLBSA-N 1 0 262.136 2.399 10 0 CEAERO CCNC(=O)C[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000037262537 173072736 /nfs/dbraw/zinc/07/27/36/173072736.db2.gz KJSNKEVJNWXTQV-AWEZNQCLSA-N 1 0 250.317 2.003 10 0 CEAERO CC[C@@H](C)C[N@H+](C)CC(=O)Nc1ccc(C)cc1N ZINC000037273548 173085451 /nfs/dbraw/zinc/08/54/51/173085451.db2.gz QMIOJWRLKXCETC-LLVKDONJSA-N 1 0 263.385 2.494 10 0 CEAERO COC(=O)CC[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000037301373 173107139 /nfs/dbraw/zinc/10/71/39/173107139.db2.gz JAKQUBYYNOYMMN-UHFFFAOYSA-N 1 0 299.754 2.154 10 0 CEAERO Cc1ncsc1[C@H](C)[NH2+]C1CCC(C(N)=O)CC1 ZINC000037319474 173120145 /nfs/dbraw/zinc/12/01/45/173120145.db2.gz POORGZHRQFPGMG-WHXUTIOJSA-N 1 0 267.398 2.146 10 0 CEAERO C[N@@H+]1CC[C@H](CNc2ccc(Br)cn2)C1 ZINC000037485179 173229402 /nfs/dbraw/zinc/22/94/02/173229402.db2.gz UBJNDSDNPKVRCC-SECBINFHSA-N 1 0 270.174 2.208 10 0 CEAERO COCCN(CCOC)[C@]1(C[NH3+])C[C@H](C)CC(C)(C)C1 ZINC000037489430 173230789 /nfs/dbraw/zinc/23/07/89/173230789.db2.gz RTCNCEIPGOGQIU-GDBMZVCRSA-N 1 0 286.460 2.125 10 0 CEAERO CCC[NH2+][C@](C)(C(N)=O)c1ccc(C(F)(F)F)cc1 ZINC000037513779 173244854 /nfs/dbraw/zinc/24/48/54/173244854.db2.gz JISLQJQJXATDJN-LBPRGKRZSA-N 1 0 274.286 2.406 10 0 CEAERO CCC[NH2+][C@@](C)(C(N)=O)c1ccc(SC)cc1 ZINC000037513894 173245508 /nfs/dbraw/zinc/24/55/08/173245508.db2.gz ORIZIFNMFZQNQE-CYBMUJFWSA-N 1 0 252.383 2.109 10 0 CEAERO C[N@@H+]1CCCN(Cc2ccc(N)cc2Br)CC1 ZINC000037515936 173247706 /nfs/dbraw/zinc/24/77/06/173247706.db2.gz JUVFCJMJXLNLES-UHFFFAOYSA-N 1 0 298.228 2.169 10 0 CEAERO CCCN(C(=O)c1ccoc1C)[C@H]1CCC[NH2+]C1 ZINC000037541594 173263945 /nfs/dbraw/zinc/26/39/45/173263945.db2.gz NONFLKJYGFHKOL-LBPRGKRZSA-N 1 0 250.342 2.192 10 0 CEAERO CC[NH2+][C@@H](C)CCc1ccc(OC[C@H](C)O)cc1 ZINC000037707513 173628319 /nfs/dbraw/zinc/62/83/19/173628319.db2.gz DAGWUPZSLULOEO-STQMWFEESA-N 1 0 251.370 2.377 10 0 CEAERO CC[NH2+][C@H](C)c1cc(C)ccc1OCC(=O)OC ZINC000037710884 173630918 /nfs/dbraw/zinc/63/09/18/173630918.db2.gz QHTUPWDMYQXEOK-LLVKDONJSA-N 1 0 251.326 2.217 10 0 CEAERO CCN(Cc1cccc(C)c1)C(=O)C1CC[NH2+]CC1 ZINC000037808627 173751849 /nfs/dbraw/zinc/75/18/49/173751849.db2.gz DGVVAIGDXKWMQO-UHFFFAOYSA-N 1 0 260.381 2.343 10 0 CEAERO Cc1cc(C)nc(N(CC[NH3+])Cc2ccccc2)n1 ZINC000038033146 174030607 /nfs/dbraw/zinc/03/06/07/174030607.db2.gz XJBQBZPLGQGMGJ-UHFFFAOYSA-N 1 0 256.353 2.059 10 0 CEAERO CC(C)C(=O)Nc1ccc(NC2CC[NH2+]CC2)cc1 ZINC000038040986 174041405 /nfs/dbraw/zinc/04/14/05/174041405.db2.gz VCERSANFPLHMRP-UHFFFAOYSA-N 1 0 261.369 2.445 10 0 CEAERO CC[NH2+]CCCNc1ccc(C(N)=O)c(C(F)(F)F)c1 ZINC000038043386 174050294 /nfs/dbraw/zinc/05/02/94/174050294.db2.gz WESQDRKJBYVSMJ-UHFFFAOYSA-N 1 0 289.301 2.216 10 0 CEAERO CCn1c(C[NH2+][C@H]2CCC[C@@H](O)C2)nc2ccccc21 ZINC000038046841 174055769 /nfs/dbraw/zinc/05/57/69/174055769.db2.gz IJQFWKJZEICZEN-QWHCGFSZSA-N 1 0 273.380 2.449 10 0 CEAERO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2COCCO2)c(C)n1 ZINC000038061085 174072624 /nfs/dbraw/zinc/07/26/24/174072624.db2.gz OWLARFVRFOUMKJ-GXTWGEPZSA-N 1 0 264.369 2.073 10 0 CEAERO CC[C@H](C)[NH2+][C@]1(C(N)=O)CCSc2ccccc21 ZINC000038065301 174075964 /nfs/dbraw/zinc/07/59/64/174075964.db2.gz XIKFQQQAZUDMCG-IINYFYTJSA-N 1 0 264.394 2.251 10 0 CEAERO CC[C@H](C)[NH2+][C@@]1(C(N)=O)CCSc2ccccc21 ZINC000038065303 174076060 /nfs/dbraw/zinc/07/60/60/174076060.db2.gz XIKFQQQAZUDMCG-HZMBPMFUSA-N 1 0 264.394 2.251 10 0 CEAERO CCOc1ccccc1[C@@](C)([NH2+][C@H](C)CC)C(N)=O ZINC000038065586 174077092 /nfs/dbraw/zinc/07/70/92/174077092.db2.gz UPFQYDLVOXVWDJ-IAQYHMDHSA-N 1 0 264.369 2.174 10 0 CEAERO COc1ccc([C@@H](CO)[NH2+]C2CC2)cc1Br ZINC000038124410 174130772 /nfs/dbraw/zinc/13/07/72/174130772.db2.gz AULBMAZACCXVAY-LLVKDONJSA-N 1 0 286.169 2.243 10 0 CEAERO C[C@H](CNC(=O)[C@@H]1Cc2ccccc2N1)[NH+]1CCCCC1 ZINC000040469006 174277809 /nfs/dbraw/zinc/27/78/09/174277809.db2.gz HHEYBIAMAOKYAA-CJNGLKHVSA-N 1 0 287.407 2.014 10 0 CEAERO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC2CC2)cc1OC ZINC000040491140 174292238 /nfs/dbraw/zinc/29/22/38/174292238.db2.gz JSPHCQIOYAQYIL-GHMZBOCLSA-N 1 0 292.379 2.022 10 0 CEAERO O[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1-n1cccn1 ZINC000040495631 174294255 /nfs/dbraw/zinc/29/42/55/174294255.db2.gz RXYOPYKMMMSBNO-GOEBONIOSA-N 1 0 271.364 2.265 10 0 CEAERO CCCO[C@@H]1CCCN(C(=O)CC[NH2+]C(C)(C)C)C1 ZINC000040501392 174297749 /nfs/dbraw/zinc/29/77/49/174297749.db2.gz CFOBVAPTDXGRBX-CYBMUJFWSA-N 1 0 270.417 2.182 10 0 CEAERO Cc1nnc(Sc2nc(C)cc(C)c2C(N)=[NH2+])s1 ZINC000040515383 174306379 /nfs/dbraw/zinc/30/63/79/174306379.db2.gz ZQKIOWZPRPZLFS-UHFFFAOYSA-N 1 0 279.394 2.294 10 0 CEAERO COC(=O)C[C@H](C)[NH2+][C@H](C)c1sc(C)nc1C ZINC000040518624 174307850 /nfs/dbraw/zinc/30/78/50/174307850.db2.gz CERCSJIZHNOHSX-JGVFFNPUSA-N 1 0 256.371 2.362 10 0 CEAERO Cc1nc(C)c([C@@H](C)NC(=O)C2CCC([NH3+])CC2)s1 ZINC000040519032 174308597 /nfs/dbraw/zinc/30/85/97/174308597.db2.gz MYMYCUTUPYAFSZ-OIKLOGQESA-N 1 0 281.425 2.455 10 0 CEAERO CCC[C@](C)([NH3+])C(=O)N[C@@H](C)c1sc(C)nc1C ZINC000040519134 174308770 /nfs/dbraw/zinc/30/87/70/174308770.db2.gz CSCQPQMETBGJGJ-ZANVPECISA-N 1 0 269.414 2.455 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](C(=O)N[C@@H](c2ccc(F)cc2)C(C)C)C1 ZINC000040632935 174359646 /nfs/dbraw/zinc/35/96/46/174359646.db2.gz VNENGSKHZQQDSC-SOUVJXGZSA-N 1 0 294.370 2.016 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](c2nc(-c3c(F)cccc3F)c[nH]2)C1 ZINC000040637831 174361755 /nfs/dbraw/zinc/36/17/55/174361755.db2.gz UEMUOESJPWUXPK-LDYMZIIASA-N 1 0 279.290 2.404 10 0 CEAERO c1ccc(CCN2CC[C@H]([NH2+]Cc3ccccn3)C2)cc1 ZINC000040671207 174368900 /nfs/dbraw/zinc/36/89/00/174368900.db2.gz RFTDRBKCFVMVDU-SFHVURJKSA-N 1 0 281.403 2.488 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCN(C)C1)CCO2 ZINC000040673110 174371351 /nfs/dbraw/zinc/37/13/51/174371351.db2.gz BQUXFVVDDFAICP-IUODEOHRSA-N 1 0 276.380 2.203 10 0 CEAERO CC(C)=CCN1CCC([NH2+][C@@H]2CCCN(C)C2)CC1 ZINC000040673051 174371670 /nfs/dbraw/zinc/37/16/70/174371670.db2.gz ZQPYCGFVYZTOSE-MRXNPFEDSA-N 1 0 265.445 2.101 10 0 CEAERO CC(C)([NH2+][C@@H]1CCSc2ccccc21)C(N)=O ZINC000040674171 174372680 /nfs/dbraw/zinc/37/26/80/174372680.db2.gz IDBCEZSHMSYXCE-SNVBAGLBSA-N 1 0 250.367 2.077 10 0 CEAERO CCOC1CCN([C@@H](C[NH3+])c2ccsc2)CC1 ZINC000040689123 174375762 /nfs/dbraw/zinc/37/57/62/174375762.db2.gz DPNVAQWFVDKRCV-ZDUSSCGKSA-N 1 0 254.399 2.249 10 0 CEAERO CCNc1ncnc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1N ZINC000040707331 174379658 /nfs/dbraw/zinc/37/96/58/174379658.db2.gz GSDUELPIXKIREI-UHFFFAOYSA-N 1 0 292.431 2.212 10 0 CEAERO Cc1nnc(Oc2cccc(N(C)C)c2)c(C[NH3+])c1C ZINC000040714112 174382016 /nfs/dbraw/zinc/38/20/16/174382016.db2.gz QWMJCNYLJKTNLV-UHFFFAOYSA-N 1 0 272.352 2.410 10 0 CEAERO CC(C)COc1nc(N[C@H]2CCC[N@H+](C)C2)ccc1N ZINC000040715767 174382648 /nfs/dbraw/zinc/38/26/48/174382648.db2.gz WUGLACWUJVVFKU-LBPRGKRZSA-N 1 0 278.400 2.205 10 0 CEAERO C[C@H]1CCN([C@@H](C[NH3+])c2cnn(-c3ccccc3)c2)C1 ZINC000040717583 174384833 /nfs/dbraw/zinc/38/48/33/174384833.db2.gz NIHISDLDIDBVTH-BBRMVZONSA-N 1 0 270.380 2.214 10 0 CEAERO COc1cccc([C@H](C[NH3+])N2CC[C@@H](C)C2)c1OC ZINC000040717432 174384918 /nfs/dbraw/zinc/38/49/18/174384918.db2.gz DUQWFQKLLYQGQG-YPMHNXCESA-N 1 0 264.369 2.045 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccccc1Cl ZINC000040749672 174394533 /nfs/dbraw/zinc/39/45/33/174394533.db2.gz QGFZCXDXWOHVJI-YHWZYXNKSA-N 1 0 278.783 2.363 10 0 CEAERO Cc1cccn2cc(CN3[C@@H]4CC[C@H]3CC([NH3+])C4)nc12 ZINC000040750273 174395395 /nfs/dbraw/zinc/39/53/95/174395395.db2.gz AXNQJMZRDFYKAR-LQDVMPOASA-N 1 0 270.380 2.097 10 0 CEAERO Cc1nnc(N2[C@@H]3CC[C@H]2CC([NH3+])C3)c2ccccc12 ZINC000040750526 174395549 /nfs/dbraw/zinc/39/55/49/174395549.db2.gz LWCWVBOVDGHTDJ-YHWZYXNKSA-N 1 0 268.364 2.397 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2c1nncc2ccccc21 ZINC000040750557 174395573 /nfs/dbraw/zinc/39/55/73/174395573.db2.gz XVWJJYCVKLKKIH-YHWZYXNKSA-N 1 0 254.337 2.088 10 0 CEAERO CC(C)(C)[C@H]([NH3+])C(=O)Nc1ccc(-c2nnco2)cc1 ZINC000040828985 174411241 /nfs/dbraw/zinc/41/12/41/174411241.db2.gz IUMDOXQTZMQYAK-LLVKDONJSA-N 1 0 274.324 2.049 10 0 CEAERO C[C@@H]([NH3+])CCNC(=O)c1cccn1Cc1ccccc1 ZINC000063170299 414764257 /nfs/dbraw/zinc/76/42/57/414764257.db2.gz CBCAJAWCABFEMJ-CYBMUJFWSA-N 1 0 271.364 2.004 10 0 CEAERO COc1ccc([C@@H](C)NC(=O)CCCC[NH3+])cc1OC ZINC000070203061 414769966 /nfs/dbraw/zinc/76/99/66/414769966.db2.gz HIGCVPRRHNPSPG-LLVKDONJSA-N 1 0 280.368 2.010 10 0 CEAERO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](O)C2)c(F)c1 ZINC000404594073 414789349 /nfs/dbraw/zinc/78/93/49/414789349.db2.gz OIGUFTIGAMXPHF-VXGBXAGGSA-N 1 0 253.317 2.227 10 0 CEAERO [NH3+]C1CCC(C(=O)NC[C@@H]2CC3CCC2CC3)CC1 ZINC000400127289 414747291 /nfs/dbraw/zinc/74/72/91/414747291.db2.gz SUSSHSHYRKDRDJ-IHXHZNKUSA-N 1 0 264.413 2.446 10 0 CEAERO C[C@@H]1CN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CCc2ccccc21 ZINC000404846575 414790869 /nfs/dbraw/zinc/79/08/69/414790869.db2.gz PAAAMYPVOMIOHL-SNPRPXQTSA-N 1 0 272.392 2.302 10 0 CEAERO C[NH+](C)CCC(=O)NCC1(c2cccc(Cl)c2)CC1 ZINC000041536475 174566438 /nfs/dbraw/zinc/56/64/38/174566438.db2.gz NQTPNGQIQQMLLY-UHFFFAOYSA-N 1 0 280.799 2.440 10 0 CEAERO CN(C(=O)[C@H]1CCCC2(CC2)C1)[C@H](C[NH3+])C(F)(F)F ZINC000662986385 414819112 /nfs/dbraw/zinc/81/91/12/414819112.db2.gz DLCPEWMYYSDLAR-VHSXEESVSA-N 1 0 278.318 2.305 10 0 CEAERO Cc1nc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)co1 ZINC000660464479 414835564 /nfs/dbraw/zinc/83/55/64/414835564.db2.gz LLTKINIFUFEALW-ZNMIVQPWSA-N 1 0 264.369 2.499 10 0 CEAERO Cc1cc(N2C[C@@H](C[NH3+])C[C@H]2C)ncc1Br ZINC000228899101 414846115 /nfs/dbraw/zinc/84/61/15/414846115.db2.gz NPFHHNKLJGYCNJ-NXEZZACHSA-N 1 0 284.201 2.326 10 0 CEAERO C[C@H]([NH3+])c1ccc(NC(=O)NCCc2cccnc2)cc1 ZINC000041717294 174615965 /nfs/dbraw/zinc/61/59/65/174615965.db2.gz BMNIBVFMHBLSNW-LBPRGKRZSA-N 1 0 284.363 2.466 10 0 CEAERO C[C@H](Cc1ccsc1)NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000310822179 414858165 /nfs/dbraw/zinc/85/81/65/414858165.db2.gz JYEDXHBEJHGZAZ-DGCLKSJQSA-N 1 0 266.410 2.328 10 0 CEAERO O[C@H]1CCC[C@H]([NH2+]Cc2ccc(F)c(F)c2F)C1 ZINC000657325753 414859667 /nfs/dbraw/zinc/85/96/67/414859667.db2.gz KQTNYJBLISOTQW-UWVGGRQHSA-N 1 0 259.271 2.497 10 0 CEAERO O[C@H]1CCC[C@@H]([NH2+]Cc2ccc(F)c(F)c2F)C1 ZINC000657325755 414861652 /nfs/dbraw/zinc/86/16/52/414861652.db2.gz KQTNYJBLISOTQW-ZJUUUORDSA-N 1 0 259.271 2.497 10 0 CEAERO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1CCn1cc(Cl)cn1 ZINC000312221642 414863003 /nfs/dbraw/zinc/86/30/03/414863003.db2.gz BDNNEMMKXJHAPF-GJZGRUSLSA-N 1 0 296.846 2.485 10 0 CEAERO CCN(Cc1ccc(OC)c(F)c1)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000042168730 174650097 /nfs/dbraw/zinc/65/00/97/174650097.db2.gz TVUKIKPFXQQOIW-ZDUSSCGKSA-N 1 0 294.370 2.325 10 0 CEAERO [NH3+]CCCCNC(=O)c1cc(Cl)nc2ccccc21 ZINC000042288152 174674806 /nfs/dbraw/zinc/67/48/06/174674806.db2.gz MARHXKRUDKHNSV-UHFFFAOYSA-N 1 0 277.755 2.357 10 0 CEAERO Cc1[nH]c2ccccc2c1C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000653053212 414888857 /nfs/dbraw/zinc/88/88/57/414888857.db2.gz ZPMCKCBKFHNWKM-DGCLKSJQSA-N 1 0 271.364 2.334 10 0 CEAERO C[C@@H]1CC(NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C[C@@H](C)C1 ZINC000653092201 414903684 /nfs/dbraw/zinc/90/36/84/414903684.db2.gz VDKMAVBNLFNMCP-GAIPPQHRSA-N 1 0 292.345 2.325 10 0 CEAERO C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)[C@H](C)C1 ZINC000653446399 414996501 /nfs/dbraw/zinc/99/65/01/414996501.db2.gz CCONIENUZLNEDH-OOCWMUITSA-N 1 0 292.345 2.325 10 0 CEAERO C[C@@H](N(C)S(=O)(=O)c1ccc(C[NH3+])cc1)C(C)(C)C ZINC000042768290 174870107 /nfs/dbraw/zinc/87/01/07/174870107.db2.gz ULKPKXPGEGSNFQ-LLVKDONJSA-N 1 0 284.425 2.200 10 0 CEAERO OCC1CC([NH2+]Cc2cc(Cl)cc3c2OCC3)C1 ZINC000657811114 415089638 /nfs/dbraw/zinc/08/96/38/415089638.db2.gz QXKQQKUMNHWYPT-UHFFFAOYSA-N 1 0 267.756 2.135 10 0 CEAERO COc1ccc([C@@H](C[NH3+])OC[C@@H]2CCCCO2)cc1 ZINC000042963158 174927747 /nfs/dbraw/zinc/92/77/47/174927747.db2.gz HERYOJIXRCNKLJ-LSDHHAIUSA-N 1 0 265.353 2.281 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cccc(OC)c1)n1nc(C)nc1C ZINC000043029002 174948289 /nfs/dbraw/zinc/94/82/89/174948289.db2.gz ROKKIVXIMBGNFX-CABCVRRESA-N 1 0 274.368 2.230 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccccc1F)n1nc(C)nc1C ZINC000043046424 174957119 /nfs/dbraw/zinc/95/71/19/174957119.db2.gz FFMVVEZBGZURJJ-ZIAGYGMSSA-N 1 0 262.332 2.361 10 0 CEAERO C[C@H]([NH3+])[C@H](Oc1ccc(C(N)=O)cc1)c1ccccc1F ZINC000043048020 174957341 /nfs/dbraw/zinc/95/73/41/174957341.db2.gz OGCSLOKILWKYPM-BONVTDFDSA-N 1 0 288.322 2.392 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1ccccc1Br)N1CCOCC1 ZINC000043090345 174964039 /nfs/dbraw/zinc/96/40/39/174964039.db2.gz VEDMYIBLORIDGF-MFKMUULPSA-N 1 0 299.212 2.170 10 0 CEAERO C[C@]1(C2CC2)C[N@H+](C[C@@H]2CCC[C@@H](O)C2)CCO1 ZINC000661172004 415121427 /nfs/dbraw/zinc/12/14/27/415121427.db2.gz PVVRXRLLNZEBEE-BPLDGKMQSA-N 1 0 253.386 2.038 10 0 CEAERO CCN(Cc1cccs1)[C@@H](c1cnn(C)c1)[C@@H](C)[NH3+] ZINC000043129069 174979761 /nfs/dbraw/zinc/97/97/61/174979761.db2.gz USUREUKKZWOLBU-BXUZGUMPSA-N 1 0 278.425 2.392 10 0 CEAERO Cc1ccsc1[C@@H]([C@H](C)[NH3+])N1CCN(C2CC2)CC1 ZINC000043248506 174992873 /nfs/dbraw/zinc/99/28/73/174992873.db2.gz RRLOHEMPBHESOV-GXTWGEPZSA-N 1 0 279.453 2.225 10 0 CEAERO Cc1ccsc1[C@H](Sc1nncn1C)[C@@H](C)[NH3+] ZINC000043251002 174994066 /nfs/dbraw/zinc/99/40/66/174994066.db2.gz NWBJUQWKHVEUQM-PSASIEDQSA-N 1 0 268.411 2.366 10 0 CEAERO CC[NH2+][C@@H](c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000043300987 175001636 /nfs/dbraw/zinc/00/16/36/175001636.db2.gz FWJJNIGWFWWCAS-GXFFZTMASA-N 1 0 287.812 2.425 10 0 CEAERO COC[C@H](C)N(C)[C@@H](C[NH3+])c1cccc(C)c1C ZINC000043314944 175004670 /nfs/dbraw/zinc/00/46/70/175004670.db2.gz IAARLTPUUGTAAC-WFASDCNBSA-N 1 0 250.386 2.270 10 0 CEAERO CCC[NH2+][C@H]1CCN(c2cc(OC)ccc2Cl)C1=O ZINC000043318016 175005047 /nfs/dbraw/zinc/00/50/47/175005047.db2.gz KJXZDIWYTUPQMA-LBPRGKRZSA-N 1 0 282.771 2.454 10 0 CEAERO O=C(Nc1cccc(N[C@H]2CCC[NH2+]C2)c1)C1CC1 ZINC000043324434 175007126 /nfs/dbraw/zinc/00/71/26/175007126.db2.gz RIIWSBBSQLLZFA-AWEZNQCLSA-N 1 0 259.353 2.199 10 0 CEAERO COc1cc(C)c(N[C@@H]2CCC[NH2+]C2)cc1OC ZINC000043326435 175008059 /nfs/dbraw/zinc/00/80/59/175008059.db2.gz PLXLWNQTVBYROV-LLVKDONJSA-N 1 0 250.342 2.176 10 0 CEAERO FC(F)(F)CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCNC2)C1 ZINC000043326959 175008639 /nfs/dbraw/zinc/00/86/39/175008639.db2.gz PDPFFFYNZBEROV-QJPTWQEYSA-N 1 0 280.334 2.218 10 0 CEAERO CCN(C[C@@H]1CCCO1)[C@@H](c1ccco1)[C@@H](C)[NH3+] ZINC000043335743 175011010 /nfs/dbraw/zinc/01/10/10/175011010.db2.gz YYXXSCAFIHNWRZ-MBNYWOFBSA-N 1 0 252.358 2.169 10 0 CEAERO C[C@@H]([NH3+])[C@@H](Oc1ccc(S(C)(=O)=O)cc1)c1ccco1 ZINC000043337842 175012504 /nfs/dbraw/zinc/01/25/04/175012504.db2.gz JUYAUPTXLIQEHN-QMTHXVAHSA-N 1 0 295.360 2.150 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1nccc(=O)[nH]1)c1ccco1 ZINC000043338396 175013096 /nfs/dbraw/zinc/01/30/96/175013096.db2.gz KRQAXQGKVSOLPI-KCJUWKMLSA-N 1 0 265.338 2.346 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccccn1)N(C)Cc1cccnc1 ZINC000043339253 175013187 /nfs/dbraw/zinc/01/31/87/175013187.db2.gz DJXYTMHCFFLJBP-GOEBONIOSA-N 1 0 270.380 2.387 10 0 CEAERO CC[C@H]([NH3+])[C@H](SCCC(=O)OC)c1ccco1 ZINC000043338525 175013275 /nfs/dbraw/zinc/01/32/75/175013275.db2.gz YJRUAIBLVATVPJ-CABZTGNLSA-N 1 0 257.355 2.354 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccccn1)N(C)CCc1ccncc1 ZINC000043339604 175013589 /nfs/dbraw/zinc/01/35/89/175013589.db2.gz KEQBVOUPOINHEH-WBVHZDCISA-N 1 0 284.407 2.430 10 0 CEAERO CCC(CC)N(CCO)[C@H](c1ccccn1)[C@H]([NH3+])CC ZINC000043340835 175014861 /nfs/dbraw/zinc/01/48/61/175014861.db2.gz SGFYOWGETBRPMY-ZBFHGGJFSA-N 1 0 279.428 2.343 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccccn1)N(CC)[C@@H](C)COC ZINC000043341150 175015133 /nfs/dbraw/zinc/01/51/33/175015133.db2.gz YXAZSPDZPKHQRA-GZBFAFLISA-N 1 0 265.401 2.217 10 0 CEAERO CCCCOCCO[C@H](c1ccccn1)[C@H](C)[NH3+] ZINC000043343340 175015833 /nfs/dbraw/zinc/01/58/33/175015833.db2.gz OXRUSEXYRRYZBE-JSGCOSHPSA-N 1 0 252.358 2.303 10 0 CEAERO [NH3+]C[C@@H](Sc1nnc2n1CCCCC2)c1ccccn1 ZINC000043344493 175016242 /nfs/dbraw/zinc/01/62/42/175016242.db2.gz CGKGAOXTTFDZRP-GFCCVEGCSA-N 1 0 289.408 2.192 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1cccnc1)N(CCO)C1CCCCC1 ZINC000043348319 175018671 /nfs/dbraw/zinc/01/86/71/175018671.db2.gz RAZDGZOPJPFQHL-IAGOWNOFSA-N 1 0 291.439 2.487 10 0 CEAERO COc1cc(C)ccc1O[C@@H](C[NH3+])c1cccnc1 ZINC000043349949 175019293 /nfs/dbraw/zinc/01/92/93/175019293.db2.gz IVZSHVCEMNKQCA-HNNXBMFYSA-N 1 0 258.321 2.477 10 0 CEAERO [NH3+]C[C@H](Oc1ccc2c(c1)CCC(=O)N2)c1cccnc1 ZINC000043349214 175019403 /nfs/dbraw/zinc/01/94/03/175019403.db2.gz PXJUPVANLIGECW-HNNXBMFYSA-N 1 0 283.331 2.045 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1nc(C)cc(=O)[nH]1)c1cccnc1 ZINC000043352031 175019542 /nfs/dbraw/zinc/01/95/42/175019542.db2.gz OQVYAOIJEXUFRD-DGCLKSJQSA-N 1 0 290.392 2.456 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccncc1)N(C)Cc1ccccn1 ZINC000043353507 175020870 /nfs/dbraw/zinc/02/08/70/175020870.db2.gz HLFWHWHHOKELOB-JKSUJKDBSA-N 1 0 270.380 2.387 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccncc1)N(C)CC(F)(F)F ZINC000043353852 175021012 /nfs/dbraw/zinc/02/10/12/175021012.db2.gz NKOCAEFYKPQBCW-MNOVXSKESA-N 1 0 261.291 2.354 10 0 CEAERO CCCN(CC(F)(F)F)[C@@H](C[NH3+])c1ccncc1 ZINC000043354833 175022074 /nfs/dbraw/zinc/02/20/74/175022074.db2.gz CWRWRERZIPNFNK-NSHDSACASA-N 1 0 261.291 2.356 10 0 CEAERO [NH3+]C[C@H](Sc1nnc2n1CCCCC2)c1ccncc1 ZINC000043363171 175023986 /nfs/dbraw/zinc/02/39/86/175023986.db2.gz XKCCBCRHIFNWAO-LBPRGKRZSA-N 1 0 289.408 2.192 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)N1CCN(CC)CC1 ZINC000043363780 175023988 /nfs/dbraw/zinc/02/39/88/175023988.db2.gz URGKFIYPMPKOBH-ZFWWWQNUSA-N 1 0 265.401 2.004 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1n[nH]c(C)n1)c1ccncc1 ZINC000043363601 175024319 /nfs/dbraw/zinc/02/43/19/175024319.db2.gz YICUCBPKGJRWEJ-MNOVXSKESA-N 1 0 263.370 2.079 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccc(C)o1)N(CC)CCOC ZINC000043364876 175025206 /nfs/dbraw/zinc/02/52/06/175025206.db2.gz GLRMCKWKTHCEEH-GXTWGEPZSA-N 1 0 254.374 2.335 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)N(CC)CCOC ZINC000043364874 175025398 /nfs/dbraw/zinc/02/53/98/175025398.db2.gz GLRMCKWKTHCEEH-JSGCOSHPSA-N 1 0 254.374 2.335 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)N(CCOC)C1CC1 ZINC000043364914 175025863 /nfs/dbraw/zinc/02/58/63/175025863.db2.gz MXMQOIVORUXKCU-ZFWWWQNUSA-N 1 0 266.385 2.477 10 0 CEAERO C[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)c2ccsc2S1 ZINC000658055701 415179300 /nfs/dbraw/zinc/17/93/00/415179300.db2.gz UKQBTHZQYUVIAH-SFGNSQDASA-N 1 0 268.407 2.152 10 0 CEAERO CC[C@H]([NH3+])[C@@H](N(C)Cc1cc(C)on1)C(F)(F)F ZINC000043377731 175030368 /nfs/dbraw/zinc/03/03/68/175030368.db2.gz YACHATQNNYWTSK-VHSXEESVSA-N 1 0 265.279 2.083 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](N(C)C[C@@H]1CCCCO1)C(F)(F)F ZINC000043378356 175030431 /nfs/dbraw/zinc/03/04/31/175030431.db2.gz UQTLLOSNVRAMQB-HBNTYKKESA-N 1 0 268.323 2.156 10 0 CEAERO CCN(CC(F)(F)F)[C@@H]([C@@H](C)[NH3+])C(F)(F)F ZINC000043379219 175030757 /nfs/dbraw/zinc/03/07/57/175030757.db2.gz MXNFEOAGBYIBHA-RITPCOANSA-N 1 0 252.202 2.149 10 0 CEAERO CC[C@H]([NH3+])[C@@H](N(CC)[C@@H](C)COC)C(F)(F)F ZINC000043379238 175030808 /nfs/dbraw/zinc/03/08/08/175030808.db2.gz NGYIDOZCEWWDNZ-LPEHRKFASA-N 1 0 256.312 2.011 10 0 CEAERO CC[C@H]([NH3+])[C@@H](N(CCO)C1CCCCC1)C(F)(F)F ZINC000043378983 175030881 /nfs/dbraw/zinc/03/08/81/175030881.db2.gz QFCFZCSYFNTTQE-NWDGAFQWSA-N 1 0 282.350 2.282 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](N(C)Cc1cscn1)C(F)(F)F ZINC000043379309 175031053 /nfs/dbraw/zinc/03/10/53/175031053.db2.gz NSNIWKDWSKWPBQ-RKDXNWHRSA-N 1 0 267.320 2.243 10 0 CEAERO C[C@@H]([NH3+])[C@H](Oc1cccc(N(C)C)c1)C(F)(F)F ZINC000043385355 175031848 /nfs/dbraw/zinc/03/18/48/175031848.db2.gz IJZZZAJEFUEUDV-KCJUWKMLSA-N 1 0 262.275 2.410 10 0 CEAERO NC(=[NH2+])c1cc2c(nc1-n1cnc3ccccc31)CCC2 ZINC000043406848 175037110 /nfs/dbraw/zinc/03/71/10/175037110.db2.gz YWPKERRIQXBISW-UHFFFAOYSA-N 1 0 277.331 2.193 10 0 CEAERO CC[C@@H](C)c1ccc(NC(=O)[C@H]2C[NH2+]CCO2)cc1 ZINC000043708513 175102002 /nfs/dbraw/zinc/10/20/02/175102002.db2.gz XFUJGWSGHNTPSZ-BXUZGUMPSA-N 1 0 262.353 2.127 10 0 CEAERO C[NH2+][C@@H]1CCC2(C[C@H]1N(C)C1CCCCC1)OCCO2 ZINC000043815017 175111492 /nfs/dbraw/zinc/11/14/92/175111492.db2.gz KYALIEXRPOKIDZ-HUUCEWRRSA-N 1 0 282.428 2.135 10 0 CEAERO C[NH2+][C@H]1CCC2(C[C@H]1N1CCCCCCC1)OCCO2 ZINC000043819101 175114025 /nfs/dbraw/zinc/11/40/25/175114025.db2.gz SHVIBJNRFAVOOP-LSDHHAIUSA-N 1 0 282.428 2.136 10 0 CEAERO CCC[NH2+][C@H](CN(C)CC)c1ccc2c(c1)OCCO2 ZINC000043820945 175114074 /nfs/dbraw/zinc/11/40/74/175114074.db2.gz IKOCVRZWCAFYJU-CQSZACIVSA-N 1 0 278.396 2.450 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2CC[C@H]1N1CCOC[C@@H]1C ZINC000043891639 175118417 /nfs/dbraw/zinc/11/84/17/175118417.db2.gz LFYQZLOPIOXALV-XKQJLSEDSA-N 1 0 274.408 2.373 10 0 CEAERO C[NH2+][C@@H](CN(C)Cc1cccnc1)c1ccccc1 ZINC000043893353 175118632 /nfs/dbraw/zinc/11/86/32/175118632.db2.gz BHLSJQJJVOSRCQ-INIZCTEOSA-N 1 0 255.365 2.474 10 0 CEAERO CCC[NH2+][C@H]1CCC2(C[C@H]1N(C)[C@@H](C)C1CC1)OCCO2 ZINC000043895190 175119168 /nfs/dbraw/zinc/11/91/68/175119168.db2.gz DROQSSPVKDRSHR-CWRNSKLLSA-N 1 0 296.455 2.381 10 0 CEAERO C[NH2+][C@@H](CN(C)[C@@H](C)C1CC1)c1ccc2c(c1)OCCO2 ZINC000043894714 175119403 /nfs/dbraw/zinc/11/94/03/175119403.db2.gz FQAMXSJUROAIFO-WFASDCNBSA-N 1 0 290.407 2.449 10 0 CEAERO CC[NH2+][C@@H](CN1CCOC(C)(C)C1)c1ccccc1 ZINC000043897790 175120562 /nfs/dbraw/zinc/12/05/62/175120562.db2.gz AYSSTAGROBYDKW-HNNXBMFYSA-N 1 0 262.397 2.448 10 0 CEAERO CCOc1ccccc1[C@H](CN1CCOC(C)(C)C1)[NH2+]C ZINC000043897708 175120693 /nfs/dbraw/zinc/12/06/93/175120693.db2.gz GFEWMAKRERCLAY-HNNXBMFYSA-N 1 0 292.423 2.457 10 0 CEAERO C[NH2+][C@@H](CN1CCOC(C)(C)C1)c1ccccc1C ZINC000043897680 175120709 /nfs/dbraw/zinc/12/07/09/175120709.db2.gz QRQDRWVPISLRLN-HNNXBMFYSA-N 1 0 262.397 2.366 10 0 CEAERO CC[NH2+][C@H]1CCOC[C@@H]1N(CC(C)C)CC(C)C ZINC000043909693 175123322 /nfs/dbraw/zinc/12/33/22/175123322.db2.gz GLFRQJDZANJZLA-GJZGRUSLSA-N 1 0 256.434 2.367 10 0 CEAERO CCC[NH2+][C@@H]1CCOC[C@H]1N(C)Cc1ccccc1OC ZINC000043912362 175123735 /nfs/dbraw/zinc/12/37/35/175123735.db2.gz HLUSWHFSLYGIGT-HZPDHXFCSA-N 1 0 292.423 2.284 10 0 CEAERO C[NH2+][C@@H](CN1CCOCC1(C)C)c1cccc(OC)c1 ZINC000043916694 175125792 /nfs/dbraw/zinc/12/57/92/175125792.db2.gz PIINLEIDULYRBQ-HNNXBMFYSA-N 1 0 278.396 2.067 10 0 CEAERO CCC1CCC(N(C)[C@@H]2COCC[C@@H]2[NH2+]C)CC1 ZINC000043968981 175130183 /nfs/dbraw/zinc/13/01/83/175130183.db2.gz SJZCHVYWUYTMSD-PFSRBDOWSA-N 1 0 254.418 2.264 10 0 CEAERO C[NH2+][C@@H](CN(C)[C@@H](C)COC)c1ccc(C)cc1 ZINC000043969024 175130729 /nfs/dbraw/zinc/13/07/29/175130729.db2.gz XJXCWCFNEGEJRW-ZFWWWQNUSA-N 1 0 250.386 2.222 10 0 CEAERO C[NH2+][C@H]1c2ccccc2CC[C@H]1N(CCOC)C1CC1 ZINC000043969818 175131328 /nfs/dbraw/zinc/13/13/28/175131328.db2.gz UPYJAAYHJPVEHG-SJORKVTESA-N 1 0 274.408 2.373 10 0 CEAERO CCO[C@@H]1CCCN([C@@H]2Cc3ccccc3[C@@H]2[NH2+]C)C1 ZINC000043971399 175133046 /nfs/dbraw/zinc/13/30/46/175133046.db2.gz HRUSZQVSIVIBBK-OIISXLGYSA-N 1 0 274.408 2.373 10 0 CEAERO CC(C)N1C[C@H](c2ccccc2)C2(CC[NH2+]CC2)C1=O ZINC000044137440 175146054 /nfs/dbraw/zinc/14/60/54/175146054.db2.gz IRDZOTDFHMHRBZ-OAHLLOKOSA-N 1 0 272.392 2.391 10 0 CEAERO Brc1ccc(NC[C@H]2CCC[NH2+]C2)nc1 ZINC000044503043 175186312 /nfs/dbraw/zinc/18/63/12/175186312.db2.gz LQVYQAKPMYHAGF-VIFPVBQESA-N 1 0 270.174 2.256 10 0 CEAERO COc1ccc(OC)c(CN2CCCC[C@H]2C[NH3+])c1 ZINC000044539771 175200689 /nfs/dbraw/zinc/20/06/89/175200689.db2.gz SRMYRUCBFAPKIU-ZDUSSCGKSA-N 1 0 264.369 2.017 10 0 CEAERO Cc1noc(COc2ccc3c(c2)CCC[C@@H]3[NH3+])n1 ZINC000044732431 175240858 /nfs/dbraw/zinc/24/08/58/175240858.db2.gz BNSZVVBLHZJNSQ-ZDUSSCGKSA-N 1 0 259.309 2.293 10 0 CEAERO C[NH2+][C@@H]1CCCc2cc(OCCC(=O)N(C)C)ccc21 ZINC000044745157 175241646 /nfs/dbraw/zinc/24/16/46/175241646.db2.gz XOEUKEVKASLUTI-OAHLLOKOSA-N 1 0 276.380 2.141 10 0 CEAERO C[C@H](NC(=O)C1(C[NH3+])CCCCC1)c1ccncc1 ZINC000044762634 175246783 /nfs/dbraw/zinc/24/67/83/175246783.db2.gz HAZYITNKKCNTLM-LBPRGKRZSA-N 1 0 261.369 2.168 10 0 CEAERO CC[C@@H](C)N(CCOC)C(=O)C1(C[NH3+])CCCCC1 ZINC000044764118 175248206 /nfs/dbraw/zinc/24/82/06/175248206.db2.gz ZQXOKAOFKTYSAS-CYBMUJFWSA-N 1 0 270.417 2.169 10 0 CEAERO [NH3+]CC1(C(=O)N(CCO)C2CCCC2)CCCCCC1 ZINC000044764094 175248324 /nfs/dbraw/zinc/24/83/24/175248324.db2.gz BUPYMFHEKJFEJV-UHFFFAOYSA-N 1 0 282.428 2.049 10 0 CEAERO CCCN1CCN(C(=O)C(C[NH3+])(CCC)CCC)CC1 ZINC000044793511 175254234 /nfs/dbraw/zinc/25/42/34/175254234.db2.gz JVIYBAXECAZXNL-UHFFFAOYSA-N 1 0 283.460 2.086 10 0 CEAERO CN(Cc1ccccc1)C(=O)[C@@H](C[NH3+])Cc1ccccc1 ZINC000044796872 175254613 /nfs/dbraw/zinc/25/46/13/175254613.db2.gz OFEYLQQXUSWLEY-QGZVFWFLSA-N 1 0 282.387 2.463 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)Nc1ccc(OC)cc1OC ZINC000044797723 175254652 /nfs/dbraw/zinc/25/46/52/175254652.db2.gz CIGGIECNUNDAMU-JTQLQIEISA-N 1 0 266.341 2.017 10 0 CEAERO [NH3+]C[C@@H](Cc1ccccc1)C(=O)N1CCc2ccccc21 ZINC000044794418 175254813 /nfs/dbraw/zinc/25/48/13/175254813.db2.gz NWKFGQKYNIRYDT-MRXNPFEDSA-N 1 0 280.371 2.393 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)Nc1cc(OC)ccc1OC ZINC000044798574 175255063 /nfs/dbraw/zinc/25/50/63/175255063.db2.gz LYUBNHVUBQJBJG-JTQLQIEISA-N 1 0 266.341 2.017 10 0 CEAERO C[C@@H](NC(=O)[C@@H](C[NH3+])Cc1ccccc1)c1ccncc1 ZINC000044801142 175255669 /nfs/dbraw/zinc/25/56/69/175255669.db2.gz ZXXZBZSTUIDPML-CZUORRHYSA-N 1 0 283.375 2.076 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)NCCc1ccncc1 ZINC000044802868 175256063 /nfs/dbraw/zinc/25/60/63/175256063.db2.gz UEBDWBLWOKTJOO-UHFFFAOYSA-N 1 0 277.412 2.286 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)N(C)[C@H](C)COC ZINC000044805133 175256340 /nfs/dbraw/zinc/25/63/40/175256340.db2.gz QYSHUTVZVSXTOG-GFCCVEGCSA-N 1 0 258.406 2.025 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)N(CCO)C1CCCC1 ZINC000044807507 175256855 /nfs/dbraw/zinc/25/68/55/175256855.db2.gz WNNXWUMOEYASNC-UHFFFAOYSA-N 1 0 284.444 2.295 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N[C@H](C)CCc1ccccc1 ZINC000044808353 175257009 /nfs/dbraw/zinc/25/70/09/175257009.db2.gz PEZAYTMXUDFHCO-UKRRQHHQSA-N 1 0 262.397 2.499 10 0 CEAERO CCN(C[C@H]1C[C@H](OC)C[NH2+]1)c1cccc(F)c1 ZINC000044881216 175269463 /nfs/dbraw/zinc/26/94/63/175269463.db2.gz DMUSZUHDSZILMN-OCCSQVGLSA-N 1 0 252.333 2.029 10 0 CEAERO CCN(c1c(C[NH3+])c(C)nn1C)c1cccc(F)c1 ZINC000044928376 175278790 /nfs/dbraw/zinc/27/87/90/175278790.db2.gz IAMWPVZCHODCQE-UHFFFAOYSA-N 1 0 262.332 2.484 10 0 CEAERO C[C@H](CNc1cc2c(cc1N)CC(=O)N2)[NH+]1CCCCC1 ZINC000044989215 175285823 /nfs/dbraw/zinc/28/58/23/175285823.db2.gz YVRNTNJPBVRTQK-LLVKDONJSA-N 1 0 288.395 2.050 10 0 CEAERO C[C@@H](Cn1c(N)cc2ccccc2c1=O)[NH+]1CCCCC1 ZINC000045006815 175289091 /nfs/dbraw/zinc/28/90/91/175289091.db2.gz GUNZFQJGUUWNFO-ZDUSSCGKSA-N 1 0 285.391 2.458 10 0 CEAERO COC(=O)c1ccc(NC[C@@H](C)[NH+]2CCCCC2)c(N)c1 ZINC000045015606 175291065 /nfs/dbraw/zinc/29/10/65/175291065.db2.gz DMWDNYHKZVKHAQ-GFCCVEGCSA-N 1 0 291.395 2.342 10 0 CEAERO NC[C@@]1([N@@H+]2CCC[C@@H]2C2CCCC2)CN2CCC1CC2 ZINC000045071302 175301606 /nfs/dbraw/zinc/30/16/06/175301606.db2.gz FTTOVVNVWMNOMC-IAGOWNOFSA-N 1 0 277.456 2.064 10 0 CEAERO C[N@H+](C[C@@H](O)c1ccc(C(N)=S)cc1)CC(C)(C)C ZINC000045073853 175302659 /nfs/dbraw/zinc/30/26/59/175302659.db2.gz NPDZVZFKTGPFOF-CYBMUJFWSA-N 1 0 280.437 2.332 10 0 CEAERO C[N@H+](C[C@@H](O)c1ccc2c(c1)OCO2)CC(C)(C)C ZINC000045087292 175303979 /nfs/dbraw/zinc/30/39/79/175303979.db2.gz SXXHNDGNLIWRHP-GFCCVEGCSA-N 1 0 265.353 2.427 10 0 CEAERO O=C([C@@H]1CCCC[NH2+]1)N1CCC[C@@H]1C1CCCC1 ZINC000045088279 175304538 /nfs/dbraw/zinc/30/45/38/175304538.db2.gz RIDPXMVTWJXVAR-UONOGXRCSA-N 1 0 250.386 2.310 10 0 CEAERO C[C@H](CNc1ccc2scnc2c1N)[NH+](C)C ZINC000045105950 175307731 /nfs/dbraw/zinc/30/77/31/175307731.db2.gz SPULJCPEFJSYRH-MRVPVSSYSA-N 1 0 250.371 2.241 10 0 CEAERO Cn1ccnc1CCNC1=[NH+]C[C@H](c2ccccc2)S1 ZINC000045136081 175313517 /nfs/dbraw/zinc/31/35/17/175313517.db2.gz GZRGNEHWLTWINH-CYBMUJFWSA-N 1 0 286.404 2.396 10 0 CEAERO C[NH2+][C@H](C)c1cccc(S(=O)(=O)N[C@H]2CC2(C)C)c1 ZINC000045138148 175314527 /nfs/dbraw/zinc/31/45/27/175314527.db2.gz VCVGZIUKYQPSCO-MFKMUULPSA-N 1 0 282.409 2.044 10 0 CEAERO Cc1nn(C)c(C)c1-c1c[nH]c(C2([NH3+])CCCC2)n1 ZINC000045169485 175319817 /nfs/dbraw/zinc/31/98/17/175319817.db2.gz HXEPVRYWSJKYOQ-UHFFFAOYSA-N 1 0 259.357 2.155 10 0 CEAERO Cc1nn(C)c(C)c1-c1c[nH]c(CC[NH2+]C(C)(C)C)n1 ZINC000045169582 175320561 /nfs/dbraw/zinc/32/05/61/175320561.db2.gz BBIBWJUGEHJTMS-UHFFFAOYSA-N 1 0 275.400 2.358 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CCOC2)c1C ZINC000045171515 175320895 /nfs/dbraw/zinc/32/08/95/175320895.db2.gz LPPAWTPONGJKIZ-MFKMUULPSA-N 1 0 251.374 2.207 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+][C@@H]2CCCN(C)C2)c1C ZINC000045172150 175321566 /nfs/dbraw/zinc/32/15/66/175321566.db2.gz LFOAMOBFKJAJPJ-SMDDNHRTSA-N 1 0 264.417 2.265 10 0 CEAERO CC[N@H+](C[C@](C)(NC1CC1)C(=O)OC)C1CCCCC1 ZINC000045224084 175332342 /nfs/dbraw/zinc/33/23/42/175332342.db2.gz GLMHHDJJQHELJM-INIZCTEOSA-N 1 0 282.428 2.325 10 0 CEAERO CCN[C@@](C[NH+]1CCCC1)(C(=O)OCC)c1ccccc1 ZINC000045225700 175332726 /nfs/dbraw/zinc/33/27/26/175332726.db2.gz CKOLUIKDPJRECR-QGZVFWFLSA-N 1 0 290.407 2.150 10 0 CEAERO CCOC(=O)[C@@](C)(CC[N@H+](CC)CC(C)C)NC1CC1 ZINC000045264248 175337631 /nfs/dbraw/zinc/33/76/31/175337631.db2.gz UFCWKAPVXTXZMI-MRXNPFEDSA-N 1 0 284.444 2.428 10 0 CEAERO CCOC(=O)[C@@](C[N@H+](C)CC)(NC(C)C)c1ccccc1 ZINC000045264635 175338146 /nfs/dbraw/zinc/33/81/46/175338146.db2.gz FVPSLZZKVHEEOT-KRWDZBQOSA-N 1 0 292.423 2.395 10 0 CEAERO CCN[C@](C[N@H+](C)C1CC1)(C(=O)OCC)c1ccccc1 ZINC000045265011 175338377 /nfs/dbraw/zinc/33/83/77/175338377.db2.gz JJJFNUQLMILACD-KRWDZBQOSA-N 1 0 290.407 2.149 10 0 CEAERO CCC[N@H+](CC)C[C@@](NC)(C(=O)OC)c1ccccc1 ZINC000045267442 175339983 /nfs/dbraw/zinc/33/99/83/175339983.db2.gz SCULVYPSNJOGGQ-INIZCTEOSA-N 1 0 278.396 2.006 10 0 CEAERO CCCCC[N@H+](C)C[C@@](NCC)(C(N)=O)c1ccccc1 ZINC000045268084 175340116 /nfs/dbraw/zinc/34/01/16/175340116.db2.gz OIZOSZJKUVUGLC-KRWDZBQOSA-N 1 0 291.439 2.099 10 0 CEAERO CC[N@H+](C[C@](C)(NC(C)C)C(=O)OC)C1CCCC1 ZINC000045269236 175340656 /nfs/dbraw/zinc/34/06/56/175340656.db2.gz AZBSSDPJPWFJFB-HNNXBMFYSA-N 1 0 270.417 2.181 10 0 CEAERO CCCCC[N@H+](C)CC[C@@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000045268199 175340888 /nfs/dbraw/zinc/34/08/88/175340888.db2.gz UAYULLFHDDQOCT-CQSZACIVSA-N 1 0 256.390 2.094 10 0 CEAERO CCCN[C@](C)(C[N@H+](C)C(CC)CC)C(=O)OC ZINC000045269650 175341222 /nfs/dbraw/zinc/34/12/22/175341222.db2.gz XCCAWFMPJFMFTB-CQSZACIVSA-N 1 0 258.406 2.038 10 0 CEAERO CN[C@@](C[N@H+](C)[C@@H](C)C(C)C)(C(=O)OC)c1ccccc1 ZINC000045269805 175341335 /nfs/dbraw/zinc/34/13/35/175341335.db2.gz QXRUZHUSQWLCQO-WMLDXEAASA-N 1 0 292.423 2.251 10 0 CEAERO CCCN[C@](C)(CC[N@H+](C)C(CC)CC)C(=O)OC ZINC000045269736 175341919 /nfs/dbraw/zinc/34/19/19/175341919.db2.gz DHXVPUGTBSAVRY-OAHLLOKOSA-N 1 0 272.433 2.428 10 0 CEAERO CCN[C@@](C)(C[N@H+](C)C1CCCCCC1)C(=O)OC ZINC000045271903 175342519 /nfs/dbraw/zinc/34/25/19/175342519.db2.gz IKINTBDKUDUADG-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CCN[C@](C)(C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)OC ZINC000045272079 175343076 /nfs/dbraw/zinc/34/30/76/175343076.db2.gz XIHOFDXMFOHSFN-SQWLQELKSA-N 1 0 282.428 2.040 10 0 CEAERO CCCN[C@@](C)(CC[N@H+](CCC)CC1CC1)C(=O)OC ZINC000045276923 175346475 /nfs/dbraw/zinc/34/64/75/175346475.db2.gz GGKRATVILGBSIG-INIZCTEOSA-N 1 0 284.444 2.430 10 0 CEAERO CCCC[N@H+](CC[C@@](C)(NC)C(=O)OCC)C1CC1 ZINC000045276338 175346737 /nfs/dbraw/zinc/34/67/37/175346737.db2.gz DNOQDJDDTDPHKK-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CCN[C@@](C)(C[N@H+](C)[C@@H](C)CC(C)C)C(=O)OCC ZINC000045279950 175350391 /nfs/dbraw/zinc/35/03/91/175350391.db2.gz NIKAUUOSGDVWAG-ZFWWWQNUSA-N 1 0 272.433 2.284 10 0 CEAERO CCOC(=O)[C@](C)(N)CC[N@H+](C)[C@@H](C)CC(C)C ZINC000045280002 175350520 /nfs/dbraw/zinc/35/05/20/175350520.db2.gz BCJPWOMTOCAQOI-GXTWGEPZSA-N 1 0 258.406 2.023 10 0 CEAERO CC(C)C[N@H+](CC[C@](C)([NH2+]C1CC1)C(=O)[O-])C(C)C ZINC000045280741 175351351 /nfs/dbraw/zinc/35/13/51/175351351.db2.gz DQNDZRJHSFJLHZ-HNNXBMFYSA-N 1 0 270.417 2.338 10 0 CEAERO CCCN[C@@](C)(C[N@H+](C)CCC(C)C)C(=O)OCC ZINC000045281235 175351570 /nfs/dbraw/zinc/35/15/70/175351570.db2.gz VQKUIBPEYNEQCY-HNNXBMFYSA-N 1 0 272.433 2.286 10 0 CEAERO CCN(CCC[C@](C)([NH2+]C)C(N)=O)c1ccccc1C ZINC000045369950 175363977 /nfs/dbraw/zinc/36/39/77/175363977.db2.gz LUMJVYLIJVOUFO-INIZCTEOSA-N 1 0 277.412 2.065 10 0 CEAERO CCCC[N@H+](CC)CCCC[C@@](C)(NC)C(=O)OC ZINC000045370459 175364447 /nfs/dbraw/zinc/36/44/47/175364447.db2.gz XSPRCRFIDVSUCD-OAHLLOKOSA-N 1 0 272.433 2.430 10 0 CEAERO CCOC(=O)[C@@](C)(CCCC[NH+]1CCC(C)CC1)NC ZINC000045374789 175365950 /nfs/dbraw/zinc/36/59/50/175365950.db2.gz KVUAHBLLDDCLGX-MRXNPFEDSA-N 1 0 284.444 2.430 10 0 CEAERO CCC[NH2+][C@@](C)(CCCC[NH+](CC)CC)C(=O)[O-] ZINC000045375807 175366486 /nfs/dbraw/zinc/36/64/86/175366486.db2.gz QYTKKXZOLJTBNP-AWEZNQCLSA-N 1 0 258.406 2.341 10 0 CEAERO CC(C)[NH2+][C@](C)(CCC[NH+]1CCCCCC1)C(=O)[O-] ZINC000045377500 175367131 /nfs/dbraw/zinc/36/71/31/175367131.db2.gz OOUZQAKVELYXFO-OAHLLOKOSA-N 1 0 270.417 2.484 10 0 CEAERO CCCN[C@H](C[N@H+]1[C@H](C)CCC[C@@H]1C)C(=O)OCC ZINC000045379481 175367974 /nfs/dbraw/zinc/36/79/74/175367974.db2.gz XJFWUYAYRJHTPZ-HZSPNIEDSA-N 1 0 270.417 2.181 10 0 CEAERO CCC[NH2+][C@@](C)(CCC[N@H+](C)[C@@H](C)CC)C(=O)[O-] ZINC000045381362 175370531 /nfs/dbraw/zinc/37/05/31/175370531.db2.gz LORNRYOIIJRHND-JSGCOSHPSA-N 1 0 258.406 2.340 10 0 CEAERO CCC[NH2+][C@](C)(CCCC[N@H+](C)C1CC1)C(=O)[O-] ZINC000045383123 175370966 /nfs/dbraw/zinc/37/09/66/175370966.db2.gz NAIKCGLZPFZTTG-CQSZACIVSA-N 1 0 256.390 2.094 10 0 CEAERO CCCCC[N@H+](C)CCCC[C@@](C)(NC)C(=O)OC ZINC000045387955 175374246 /nfs/dbraw/zinc/37/42/46/175374246.db2.gz PXAARCGSYNBWKH-OAHLLOKOSA-N 1 0 272.433 2.430 10 0 CEAERO CCOC(=O)[C@@](C)(CCCC[N@H+](C)[C@@H](C)C1CC1)NC ZINC000045392847 175375865 /nfs/dbraw/zinc/37/58/65/175375865.db2.gz VYKMLZNAUSCIDJ-XJKSGUPXSA-N 1 0 284.444 2.428 10 0 CEAERO C[NH2+][C@](C)(CCC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)[O-] ZINC000045419326 175377648 /nfs/dbraw/zinc/37/76/48/175377648.db2.gz STJBXKNRNAVAFL-SQWLQELKSA-N 1 0 282.428 2.341 10 0 CEAERO CCc1cc(N2CC[C@H]([NH3+])C2)nc(-c2ccccc2)n1 ZINC000045947138 175387758 /nfs/dbraw/zinc/38/77/58/175387758.db2.gz XMBPQZXUENVSPC-ZDUSSCGKSA-N 1 0 268.364 2.243 10 0 CEAERO CCc1nc(C)c(CC)c(NC[C@H]2CCC[NH2+]C2)n1 ZINC000045955050 175389124 /nfs/dbraw/zinc/38/91/24/175389124.db2.gz BIFRRDJIXIJMQA-LBPRGKRZSA-N 1 0 262.401 2.321 10 0 CEAERO CN1C[C@H](C[NH2+][C@H]2CCCC[C@@H]2C2CC2)CC1=O ZINC000658239775 415271304 /nfs/dbraw/zinc/27/13/04/415271304.db2.gz NTFPFOYQLGNWRF-YUTCNCBUSA-N 1 0 250.386 2.023 10 0 CEAERO Cc1cc([C@@H](C)[NH2+]C[C@H]2CC(=O)N(C)C2)c(C)o1 ZINC000658241270 415273900 /nfs/dbraw/zinc/27/39/00/415273900.db2.gz CQYVULXBQPRABT-ZYHUDNBSSA-N 1 0 250.342 2.025 10 0 CEAERO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)CC2 ZINC000658243468 415279139 /nfs/dbraw/zinc/27/91/39/415279139.db2.gz DJTLNLISLJBZBZ-WFASDCNBSA-N 1 0 258.365 2.050 10 0 CEAERO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC(=O)N(C)C2)s1 ZINC000658246074 415280775 /nfs/dbraw/zinc/28/07/75/415280775.db2.gz XABPHUDYFCDGCE-GHMZBOCLSA-N 1 0 252.383 2.185 10 0 CEAERO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1cc(F)ccc1F ZINC000658245592 415280934 /nfs/dbraw/zinc/28/09/34/415280934.db2.gz SRTJXBLMGVQBJQ-NXEZZACHSA-N 1 0 268.307 2.094 10 0 CEAERO CCS(=O)(=O)c1ccccc1N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000050163871 175510800 /nfs/dbraw/zinc/51/08/00/175510800.db2.gz KVNHQOIANBRPLW-STQMWFEESA-N 1 0 296.436 2.280 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](C)C1CCC(F)(F)CC1 ZINC000655526393 415326669 /nfs/dbraw/zinc/32/66/69/415326669.db2.gz PTSKQTVXLPERQJ-GXSJLCMTSA-N 1 0 262.344 2.444 10 0 CEAERO COc1ccc(OC)c([C@H](C)[NH2+]C2CC(CO)C2)c1 ZINC000658351918 415334403 /nfs/dbraw/zinc/33/44/03/415334403.db2.gz QWJHQBGUWPHJJW-UNXYVOJBSA-N 1 0 265.353 2.125 10 0 CEAERO CN(CCC1CC[NH2+]CC1)C(=O)[C@@H]1COc2ccccc21 ZINC000070392018 175906939 /nfs/dbraw/zinc/90/69/39/175906939.db2.gz GGYMPXWUWQNBJL-OAHLLOKOSA-N 1 0 288.391 2.011 10 0 CEAERO CCCN(C(=O)[C@@H]1COc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000070391984 175906975 /nfs/dbraw/zinc/90/69/75/175906975.db2.gz WPJYLGQLFKPELJ-UKRRQHHQSA-N 1 0 288.391 2.153 10 0 CEAERO C[C@H]1CCC[C@](C[NH3+])(NC(=O)[C@@H]2COc3ccccc32)C1 ZINC000070393869 175908117 /nfs/dbraw/zinc/90/81/17/175908117.db2.gz DWTYPPKKZCBPAZ-QEORTHHSSA-N 1 0 288.391 2.186 10 0 CEAERO CC[NH2+][C@@H](C)[C@H](O)c1cc2c(c(Cl)c1)OCO2 ZINC000070399052 175910115 /nfs/dbraw/zinc/91/01/15/175910115.db2.gz ZFFSHUXLMXOIBG-CPCISQLKSA-N 1 0 257.717 2.100 10 0 CEAERO Nc1ncccc1C[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC000070407280 175913664 /nfs/dbraw/zinc/91/36/64/175913664.db2.gz YVOSXDJCJYZVQO-ZDUSSCGKSA-N 1 0 263.291 2.055 10 0 CEAERO CCCc1cc(N[C@H]2CCC[NH2+]C2)nc(-c2cnccn2)n1 ZINC000070456542 175940803 /nfs/dbraw/zinc/94/08/03/175940803.db2.gz FBTURYCQSFVKMM-ZDUSSCGKSA-N 1 0 298.394 2.050 10 0 CEAERO COc1ccc(-c2noc([C@H]3CCC[NH2+]C3)n2)cc1F ZINC000070458799 175941278 /nfs/dbraw/zinc/94/12/78/175941278.db2.gz FDLFHFFJEUBFRZ-JTQLQIEISA-N 1 0 277.299 2.351 10 0 CEAERO COC(=O)[C@](C)(CC[NH+](CC1CC1)CC1CC1)NC(C)C ZINC000070506757 175959165 /nfs/dbraw/zinc/95/91/65/175959165.db2.gz XAMVTHKVAJNWAL-KRWDZBQOSA-N 1 0 296.455 2.428 10 0 CEAERO CC(C)[NH2+]C[C@H](C)Cn1ncc2ccccc2c1=O ZINC000070526614 175971025 /nfs/dbraw/zinc/97/10/25/175971025.db2.gz ITUAOFNHJTXRQH-LBPRGKRZSA-N 1 0 259.353 2.031 10 0 CEAERO CC[C@@H](C)N(CCOC)C(=O)c1ccccc1CC[NH3+] ZINC000070552785 175981943 /nfs/dbraw/zinc/98/19/43/175981943.db2.gz ABGCAPUJOPNMPV-CYBMUJFWSA-N 1 0 278.396 2.075 10 0 CEAERO CC(=O)Nc1ccc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1C ZINC000070574532 175989961 /nfs/dbraw/zinc/98/99/61/175989961.db2.gz UEFCSNSESIPEFB-QWHCGFSZSA-N 1 0 289.379 2.409 10 0 CEAERO C[C@@H]([NH2+]C[C@H]1CCC(=O)N1)c1ccc(Cl)s1 ZINC000070680434 176001355 /nfs/dbraw/zinc/00/13/55/176001355.db2.gz OIGSOUZLEJKECD-HTQZYQBOSA-N 1 0 258.774 2.331 10 0 CEAERO Cc1ccc(O)c(C(=O)N(CC[NH3+])C2CCCC2)c1 ZINC000070943594 176016424 /nfs/dbraw/zinc/01/64/24/176016424.db2.gz CFWHFXIORJGYFZ-UHFFFAOYSA-N 1 0 262.353 2.044 10 0 CEAERO [NH3+]Cc1ccc(OCCn2cc(C(F)(F)F)cn2)cc1 ZINC000070989817 176018911 /nfs/dbraw/zinc/01/89/11/176018911.db2.gz SXQIKRAVBYGPFH-UHFFFAOYSA-N 1 0 285.269 2.440 10 0 CEAERO CC[NH2+][C@@H]1CCCN([C@H](C)Cc2ccccc2)C1=O ZINC000071031353 176022330 /nfs/dbraw/zinc/02/23/30/176022330.db2.gz CVDJDMNGQVZGGP-UKRRQHHQSA-N 1 0 260.381 2.218 10 0 CEAERO CC(C)[NH2+][C@H]1CCN([C@@H](C)Cc2ccccc2)C1=O ZINC000071031336 176022677 /nfs/dbraw/zinc/02/26/77/176022677.db2.gz NNMQEPMCWYPNDT-ZFWWWQNUSA-N 1 0 260.381 2.217 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCN1c1cccc(Br)c1 ZINC000071032524 176023625 /nfs/dbraw/zinc/02/36/25/176023625.db2.gz QHZCRGLZRIANPS-LBPRGKRZSA-N 1 0 295.180 2.306 10 0 CEAERO CC(C)[NH2+][C@@H]1CCCN(Cc2ccc(F)c(F)c2)C1=O ZINC000071034459 176024917 /nfs/dbraw/zinc/02/49/17/176024917.db2.gz ZXVAVMYLTYWENZ-CQSZACIVSA-N 1 0 282.334 2.454 10 0 CEAERO Cc1ccc([C@H](C)N2CC[C@H]([NH2+]C3CC3)C2=O)cc1 ZINC000071036614 176026131 /nfs/dbraw/zinc/02/61/31/176026131.db2.gz VFYJKCFGTNLZFW-WFASDCNBSA-N 1 0 258.365 2.409 10 0 CEAERO C[NH2+][C@H]1CCCN(Cc2ccc(Cl)cc2)C1=O ZINC000071038664 176027216 /nfs/dbraw/zinc/02/72/16/176027216.db2.gz ZCLCBNJJSWZPAL-LBPRGKRZSA-N 1 0 252.745 2.050 10 0 CEAERO CC(C)[NH2+][C@H]1CCCN([C@H](C)c2cccnc2)C1=O ZINC000071040078 176027313 /nfs/dbraw/zinc/02/73/13/176027313.db2.gz CHLMLQGMHIWDEK-OCCSQVGLSA-N 1 0 261.369 2.132 10 0 CEAERO CCCc1ccc(N2CC[C@@H]([NH2+]C3CC3)C2=O)cc1 ZINC000071039719 176027349 /nfs/dbraw/zinc/02/73/49/176027349.db2.gz XRWJCEPQBORONW-OAHLLOKOSA-N 1 0 258.365 2.496 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCCN1Cc1cc(F)ccc1F ZINC000071043752 176029811 /nfs/dbraw/zinc/02/98/11/176029811.db2.gz QTFTWMKLHUNMHX-CQSZACIVSA-N 1 0 280.318 2.208 10 0 CEAERO C[C@@H](Cn1ccnc1)[NH2+]C[C@H]1OCCc2ccccc21 ZINC000071090882 176031524 /nfs/dbraw/zinc/03/15/24/176031524.db2.gz FXXVMILERCASHJ-XJKSGUPXSA-N 1 0 271.364 2.175 10 0 CEAERO CC[NH2+]Cc1cnn(C[C@@H]2OCCc3ccccc32)c1 ZINC000071098955 176032556 /nfs/dbraw/zinc/03/25/56/176032556.db2.gz MZLCLPZIYWOWSO-INIZCTEOSA-N 1 0 271.364 2.307 10 0 CEAERO CC[C@@H]1CCC[C@H](OC[C@]([NH2+]C2CC2)(C(N)=O)C2CC2)C1 ZINC000071134040 176035641 /nfs/dbraw/zinc/03/56/41/176035641.db2.gz UZLDSQUEGUTOCY-ISTRZQFTSA-N 1 0 294.439 2.358 10 0 CEAERO CN1C(=O)Cc2ccc([C@@H]([NH3+])CC3CCCC3)cc2C1=O ZINC000071139396 176037942 /nfs/dbraw/zinc/03/79/42/176037942.db2.gz CHCHXVYVZSLLPM-HNNXBMFYSA-N 1 0 286.375 2.421 10 0 CEAERO C[NH2+]C[C@@H]1CCN(c2ncccc2C(F)(F)F)C1 ZINC000071148195 176044169 /nfs/dbraw/zinc/04/41/69/176044169.db2.gz OFVWDKYINJEWRH-VIFPVBQESA-N 1 0 259.275 2.146 10 0 CEAERO CC[NH2+]Cc1ccccc1N1C(=O)C(C)=C(C)C1=O ZINC000071164317 176047059 /nfs/dbraw/zinc/04/70/59/176047059.db2.gz 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YWNZWJSPNXJYAX-UHFFFAOYSA-N 1 0 266.389 2.219 10 0 CEAERO CC(C)[NH2+]CCCOc1cncc(OC(C)C)n1 ZINC000071176731 176055314 /nfs/dbraw/zinc/05/53/14/176055314.db2.gz WDXOODWGGRADIO-UHFFFAOYSA-N 1 0 253.346 2.031 10 0 CEAERO CN(Cc1ccc(Cl)s1)c1cnc(C[NH3+])cn1 ZINC000071177910 176055843 /nfs/dbraw/zinc/05/58/43/176055843.db2.gz WXDQTPYGCNNLKC-UHFFFAOYSA-N 1 0 268.773 2.287 10 0 CEAERO Cc1ccc2[nH]c(Sc3cnc(C(N)=[NH2+])cn3)nc2c1 ZINC000071180577 176056595 /nfs/dbraw/zinc/05/65/95/176056595.db2.gz DKSDOTBSVWVOIM-UHFFFAOYSA-N 1 0 284.348 2.097 10 0 CEAERO CC(C)C[NH2+]Cc1cccc(O[C@@H]2CCN(C)C2=O)c1 ZINC000071183170 176058683 /nfs/dbraw/zinc/05/86/83/176058683.db2.gz LUJRXRXFVIXIFK-OAHLLOKOSA-N 1 0 276.380 2.042 10 0 CEAERO CCC[C@H]([NH2+][C@H]1CCN(C)C1=O)c1cccs1 ZINC000071183726 176059112 /nfs/dbraw/zinc/05/91/12/176059112.db2.gz CPWHIOFFQGLCEK-QWRGUYRKSA-N 1 0 252.383 2.410 10 0 CEAERO Cc1ccc(C[NH3+])c(N[C@H](CO)Cc2ccccc2)c1 ZINC000071187512 176060793 /nfs/dbraw/zinc/06/07/93/176060793.db2.gz NUYXJPBNFSPGSF-INIZCTEOSA-N 1 0 270.376 2.469 10 0 CEAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cc(Cl)ccc1O ZINC000071190638 176068784 /nfs/dbraw/zinc/06/87/84/176068784.db2.gz INTWYYIECBKCTM-SNVBAGLBSA-N 1 0 282.771 2.069 10 0 CEAERO Cc1noc2ncnc(NCc3ccc(CC[NH3+])cc3)c12 ZINC000071194730 176076068 /nfs/dbraw/zinc/07/60/68/176076068.db2.gz ZVIGDJDQEIFXAV-UHFFFAOYSA-N 1 0 283.335 2.040 10 0 CEAERO CCOC(=O)c1ncsc1NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000071202017 176078289 /nfs/dbraw/zinc/07/82/89/176078289.db2.gz BZFZXTIPOCEWHS-NSHDSACASA-N 1 0 297.424 2.462 10 0 CEAERO C[C@@H]([NH3+])CCCCn1cc(C(F)(F)F)ccc1=O ZINC000071211971 176083775 /nfs/dbraw/zinc/08/37/75/176083775.db2.gz ALUMXBBSYWUBQR-SECBINFHSA-N 1 0 262.275 2.385 10 0 CEAERO CCC[NH2+][C@H](C)Cn1cc(C(F)(F)F)ccc1=O ZINC000071212002 176083973 /nfs/dbraw/zinc/08/39/73/176083973.db2.gz RFEQTONFPFBZFA-SECBINFHSA-N 1 0 262.275 2.255 10 0 CEAERO CC[C@H](C)N(CC)S(=O)(=O)c1ccc(F)c(C[NH3+])c1 ZINC000071239752 176094592 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176105204 /nfs/dbraw/zinc/10/52/04/176105204.db2.gz DZTGIIKVDUZDHY-UHFFFAOYSA-N 1 0 252.321 2.258 10 0 CEAERO CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1nccn1C ZINC000071275935 176106831 /nfs/dbraw/zinc/10/68/31/176106831.db2.gz LQHCCCJHIFWHOW-GOOCMWNKSA-N 1 0 276.428 2.305 10 0 CEAERO CCOC(=O)CCCCC[NH2+]C[C@@H]1CCCCN1C ZINC000071293934 176111463 /nfs/dbraw/zinc/11/14/63/176111463.db2.gz AAVRCWMOEMSJKX-AWEZNQCLSA-N 1 0 270.417 2.184 10 0 CEAERO CCOC(=O)CCCCC[NH2+]CCN1CCCCC1 ZINC000071293892 176111542 /nfs/dbraw/zinc/11/15/42/176111542.db2.gz AKXFNSDWOCCBQD-UHFFFAOYSA-N 1 0 270.417 2.185 10 0 CEAERO CCOC(=O)CCCCC[N@H+](CC)C[C@H](C)C(N)=S ZINC000071297621 176112638 /nfs/dbraw/zinc/11/26/38/176112638.db2.gz DGLYRUBSTZEQSP-LBPRGKRZSA-N 1 0 288.457 2.354 10 0 CEAERO COc1ccc([C@H](C)N(C)[C@@H]2CC[NH2+]C2)cc1F ZINC000071309695 176116929 /nfs/dbraw/zinc/11/69/29/176116929.db2.gz BTJKBCHALJITIV-CMPLNLGQSA-N 1 0 252.333 2.189 10 0 CEAERO CCN(Cc1cc(F)c(F)c(F)c1)[C@@H]1CC[NH2+]C1 ZINC000071312357 176119278 /nfs/dbraw/zinc/11/92/78/176119278.db2.gz QVIDZFIGAGHBQR-SNVBAGLBSA-N 1 0 258.287 2.288 10 0 CEAERO CCN(C(=O)[C@@H](C)Oc1cccc(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000071312459 176119385 /nfs/dbraw/zinc/11/93/85/176119385.db2.gz SBJLLYLOEJNOJI-DGCLKSJQSA-N 1 0 296.798 2.318 10 0 CEAERO CCN(Cc1nnc(-c2ccc(C)cc2)o1)[C@H]1CC[NH2+]C1 ZINC000071313985 176120413 /nfs/dbraw/zinc/12/04/13/176120413.db2.gz YQRMEAAYNIORMI-AWEZNQCLSA-N 1 0 286.379 2.229 10 0 CEAERO CCN(c1nnc(C)c2ccccc21)[C@H]1CC[NH2+]C1 ZINC000071314295 176121239 /nfs/dbraw/zinc/12/12/39/176121239.db2.gz SPOXWKGKJHCHFF-LBPRGKRZSA-N 1 0 256.353 2.126 10 0 CEAERO CCCN(c1ncnc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000071332520 176125701 /nfs/dbraw/zinc/12/57/01/176125701.db2.gz IVSLLWNBRRHUTD-LBPRGKRZSA-N 1 0 256.353 2.208 10 0 CEAERO C[C@@H]1CCC[NH2+][C@@H]1CNC(=O)c1ccccc1OC(F)F ZINC000071338636 176128972 /nfs/dbraw/zinc/12/89/72/176128972.db2.gz OTSPSOGNQWNGBM-ZYHUDNBSSA-N 1 0 298.333 2.406 10 0 CEAERO C[C@H]1CCC[NH2+][C@@H]1CN1C(=O)CC2(CCCCCC2)C1=O ZINC000071339244 176129331 /nfs/dbraw/zinc/12/93/31/176129331.db2.gz ZWZLDYACRGGDAR-UONOGXRCSA-N 1 0 292.423 2.474 10 0 CEAERO C[C@@H]1CCC[NH2+][C@H]1CN1C(=O)CC2(CCCC2)CC1=O ZINC000071339279 176129476 /nfs/dbraw/zinc/12/94/76/176129476.db2.gz KJGTXJPVJUGWQI-OLZOCXBDSA-N 1 0 278.396 2.084 10 0 CEAERO COc1c(C)cnc(CN2CC(C)(C)[NH2+]C[C@H]2C)c1C ZINC000071342213 176130190 /nfs/dbraw/zinc/13/01/90/176130190.db2.gz YEGBPFSTQWWWQT-GFCCVEGCSA-N 1 0 277.412 2.279 10 0 CEAERO COCCC[N@@H+]1CC(C)(C)NC[C@H]1Cc1ccccc1 ZINC000071343036 176131017 /nfs/dbraw/zinc/13/10/17/176131017.db2.gz YIVURKQYIXSFTI-MRXNPFEDSA-N 1 0 276.424 2.318 10 0 CEAERO CC[C@H]1CN(CCOCCOC)[C@H](C2CCCCC2)C[NH2+]1 ZINC000071344571 176131128 /nfs/dbraw/zinc/13/11/28/176131128.db2.gz KFJGWZUBZCUUMI-IRXDYDNUSA-N 1 0 298.471 2.282 10 0 CEAERO CC[C@H]1C[N@H+](CCCn2ccnc2)C2(CCCC2)CN1 ZINC000071345210 176131502 /nfs/dbraw/zinc/13/15/02/176131502.db2.gz BWSLGUKZDGGJKW-HNNXBMFYSA-N 1 0 276.428 2.270 10 0 CEAERO CC[C@H]1CN(Cc2cnn(CC)c2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000071345655 176131814 /nfs/dbraw/zinc/13/18/14/176131814.db2.gz CGHNXZXTUXBMHK-JKSUJKDBSA-N 1 0 276.428 2.256 10 0 CEAERO CC[C@H]1CN(CCn2ccnc2C)[C@@](C)(C2CC2)C[NH2+]1 ZINC000071345624 176131912 /nfs/dbraw/zinc/13/19/12/176131912.db2.gz DUKNPDOFRNBWKH-JKSUJKDBSA-N 1 0 276.428 2.044 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1CCn1cccn1 ZINC000071346873 176131946 /nfs/dbraw/zinc/13/19/46/176131946.db2.gz NFVJBEPUSIBHCJ-HUUCEWRRSA-N 1 0 278.444 2.372 10 0 CEAERO Cc1nccn1CCN1C[C@@H](C(C)(C)C)[NH2+]CC1(C)C ZINC000071348438 176133157 /nfs/dbraw/zinc/13/31/57/176133157.db2.gz REXOELVGWICNHH-AWEZNQCLSA-N 1 0 278.444 2.290 10 0 CEAERO COCCC[N@@H+]1C[C@@H](Cc2ccccc2)NC[C@@H]1C1CC1 ZINC000071353127 176135443 /nfs/dbraw/zinc/13/54/43/176135443.db2.gz SKXQAEPFVPUGSA-QZTJIDSGSA-N 1 0 288.435 2.318 10 0 CEAERO C[C@@H]1C[NH2+][C@H](Cc2ccccc2)CN1Cc1ccccn1 ZINC000071352522 176135759 /nfs/dbraw/zinc/13/57/59/176135759.db2.gz NQSORYKMRXALJV-CRAIPNDOSA-N 1 0 281.403 2.487 10 0 CEAERO CC[C@H](C)[C@@H]1C[N@H+](CCCn2ccnc2)[C@H](C2CC2)CN1 ZINC000071355255 176136660 /nfs/dbraw/zinc/13/66/60/176136660.db2.gz VVGJVWPKEZDRIM-XIRDDKMYSA-N 1 0 290.455 2.372 10 0 CEAERO CC[C@H](C)[C@H]1CN(CCOCCOC)C2(CCCC2)C[NH2+]1 ZINC000071356177 176136754 /nfs/dbraw/zinc/13/67/54/176136754.db2.gz WZVSEDDUEQEYMQ-JKSUJKDBSA-N 1 0 298.471 2.282 10 0 CEAERO CC[C@@H](C)[C@@H]1C[N@H+](CCCn2ccnc2)[C@H](C2CC2)CN1 ZINC000071355254 176136839 /nfs/dbraw/zinc/13/68/39/176136839.db2.gz VVGJVWPKEZDRIM-PVAVHDDUSA-N 1 0 290.455 2.372 10 0 CEAERO Cn1cc(CN2CC3(CCCC3)[NH2+]CC23CCCC3)cn1 ZINC000071359137 176137280 /nfs/dbraw/zinc/13/72/80/176137280.db2.gz ODEZGBCOOIACCU-UHFFFAOYSA-N 1 0 288.439 2.451 10 0 CEAERO CC[C@@]1(C)CN(C[C@@H]2CCCCO2)C(C)(C)C[NH2+]1 ZINC000071357601 176137380 /nfs/dbraw/zinc/13/73/80/176137380.db2.gz TVXFLBSYSKZUSS-ZFWWWQNUSA-N 1 0 254.418 2.408 10 0 CEAERO CCn1cc(CN2CC3(CCCCC3)[NH2+]C[C@H]2C)cn1 ZINC000071359317 176137565 /nfs/dbraw/zinc/13/75/65/176137565.db2.gz UOBYAWNUYGMJKS-CQSZACIVSA-N 1 0 276.428 2.400 10 0 CEAERO CCC[C@@H]1C[NH2+]C2(CCCC2)CN1Cc1ncccn1 ZINC000071358408 176138072 /nfs/dbraw/zinc/13/80/72/176138072.db2.gz DZPCDPKXLATXGT-CQSZACIVSA-N 1 0 274.412 2.363 10 0 CEAERO NC(=[NH2+])c1cc2ccccc2nc1-n1cc(Cl)cn1 ZINC000071390275 176148445 /nfs/dbraw/zinc/14/84/45/176148445.db2.gz FAYNUKCQGYMWGZ-UHFFFAOYSA-N 1 0 271.711 2.358 10 0 CEAERO CC(C)N(CCCO)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000071400898 176153268 /nfs/dbraw/zinc/15/32/68/176153268.db2.gz PMVPVGVNATXLEI-OAHLLOKOSA-N 1 0 278.396 2.086 10 0 CEAERO CCCNC(=O)[C@H](C)Oc1ccc(C)cc1C[NH2+]C ZINC000071403665 176155412 /nfs/dbraw/zinc/15/54/12/176155412.db2.gz DNQZBAMUCFDEBG-LBPRGKRZSA-N 1 0 264.369 2.008 10 0 CEAERO Cc1ccc(OCC(=O)NCCC(C)C)c(C[C@@H](C)[NH3+])c1 ZINC000071411745 176157148 /nfs/dbraw/zinc/15/71/48/176157148.db2.gz BLXKYVGXIUSQEJ-CQSZACIVSA-N 1 0 292.423 2.426 10 0 CEAERO C[C@@H]1CC[NH2+]C[C@H]1N1C(=O)CC2(CCCCC2)CC1=O ZINC000071413303 176158601 /nfs/dbraw/zinc/15/86/01/176158601.db2.gz UXNASKAEZQTHCD-CHWSQXEVSA-N 1 0 278.396 2.084 10 0 CEAERO c1csc([C@H]2CCCCN2C[C@H]2CCC3(C[NH2+]C3)O2)n1 ZINC000662260287 415727781 /nfs/dbraw/zinc/72/77/81/415727781.db2.gz KNAAJEJRWCKMPI-CHWSQXEVSA-N 1 0 293.436 2.191 10 0 CEAERO Cc1cc(Br)c(=O)n(C2CC[NH+](C)CC2)c1 ZINC000071517734 176194139 /nfs/dbraw/zinc/19/41/39/176194139.db2.gz JQLGFTYTTRPZOR-UHFFFAOYSA-N 1 0 285.185 2.186 10 0 CEAERO CC[NH+](CC)CCCCNC(=O)CCCSC ZINC000071541636 176195798 /nfs/dbraw/zinc/19/57/98/176195798.db2.gz VUSYODTVEGDTQZ-UHFFFAOYSA-N 1 0 260.447 2.368 10 0 CEAERO C[NH2+][C@@H](CO)COc1ccc(-c2ccccc2)cc1 ZINC000071582470 176207094 /nfs/dbraw/zinc/20/70/94/176207094.db2.gz ARZFMZXMFWRVSL-HNNXBMFYSA-N 1 0 257.333 2.313 10 0 CEAERO COc1ccc(OCCn2cccc2CC[NH3+])cc1 ZINC000071586451 176212645 /nfs/dbraw/zinc/21/26/45/176212645.db2.gz KJXHUSRXHYTXRO-UHFFFAOYSA-N 1 0 260.337 2.077 10 0 CEAERO CCN(CC)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000071999548 176308240 /nfs/dbraw/zinc/30/82/40/176308240.db2.gz RVBRMHXFVXOOSR-HNNXBMFYSA-N 1 0 277.412 2.211 10 0 CEAERO C[C@@H]1C[C@@H]1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072094692 176314728 /nfs/dbraw/zinc/31/47/28/176314728.db2.gz PVIHZSHOPHNAKT-SNPRPXQTSA-N 1 0 258.365 2.176 10 0 CEAERO NC(=O)CC[C@H]1CCC[N@H+](Cc2cccc3nccnc23)C1 ZINC000072167974 176331832 /nfs/dbraw/zinc/33/18/32/176331832.db2.gz HQSFSQXDOXHUKA-CYBMUJFWSA-N 1 0 298.390 2.107 10 0 CEAERO NC(=O)c1ccccc1Oc1cccc([C@H]2CCC[NH2+]2)n1 ZINC000072364668 176379592 /nfs/dbraw/zinc/37/95/92/176379592.db2.gz AHUSCWFOTLNHJR-GFCCVEGCSA-N 1 0 283.331 2.397 10 0 CEAERO OCCC[C@H]1CCC[N@@H+]1Cc1cnc2ccccc2n1 ZINC000659871822 415751066 /nfs/dbraw/zinc/75/10/66/415751066.db2.gz XHLUECWWWRGGCF-CQSZACIVSA-N 1 0 271.364 2.367 10 0 CEAERO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C1CC1 ZINC000073654693 176482526 /nfs/dbraw/zinc/48/25/26/176482526.db2.gz PAEVCKQQJMQJBA-PWSUYJOCSA-N 1 0 254.374 2.384 10 0 CEAERO CCCCOC[C@H](O)C[NH2+]C[C@@H]1CCC[C@H]2C[C@H]21 ZINC000656708259 415827505 /nfs/dbraw/zinc/82/75/05/415827505.db2.gz BYAQGPXTVUCLCK-BYNSBNAKSA-N 1 0 255.402 2.190 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@H]2C[C@H]([NH3+])C2)cc1F ZINC000662643012 415917094 /nfs/dbraw/zinc/91/70/94/415917094.db2.gz IQYQCIKSCQFSDF-DLOVCJGASA-N 1 0 250.317 2.049 10 0 CEAERO O=C(CC[NH+]1CCCCC1)NCc1ccccc1F ZINC000074693755 176600532 /nfs/dbraw/zinc/60/05/32/176600532.db2.gz NPBJIBOLTRAHBG-UHFFFAOYSA-N 1 0 264.344 2.318 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)N1CCC[C@H](C2CCC2)C1 ZINC000662716542 415941961 /nfs/dbraw/zinc/94/19/61/415941961.db2.gz UVZNDTBOZVPSOB-HIFRSBDPSA-N 1 0 264.413 2.415 10 0 CEAERO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1C[C@@H]1C)CC(C)C ZINC000076055916 176894663 /nfs/dbraw/zinc/89/46/63/176894663.db2.gz HBFFVFPSYYTMLW-IHRRRGAJSA-N 1 0 269.433 2.451 10 0 CEAERO COc1cc(C)c(C(=O)[C@H](C)[NH2+]C2CC2)c(OC)c1 ZINC000076362323 177002643 /nfs/dbraw/zinc/00/26/43/177002643.db2.gz JKANZOXVZBXNJF-JTQLQIEISA-N 1 0 263.337 2.335 10 0 CEAERO C[NH2+]CCC(=O)N[C@@H](C)c1c(C)cc(C)cc1OC ZINC000076369173 177006306 /nfs/dbraw/zinc/00/63/06/177006306.db2.gz FWCPDXRXXZREEN-LBPRGKRZSA-N 1 0 264.369 2.099 10 0 CEAERO C[NH2+]CCC(=O)N[C@H](C)c1c(C)cc(C)cc1OC ZINC000076369164 177006492 /nfs/dbraw/zinc/00/64/92/177006492.db2.gz FWCPDXRXXZREEN-GFCCVEGCSA-N 1 0 264.369 2.099 10 0 CEAERO C[NH2+]CCN(C)CCc1ccc2c(c1)CCCS2 ZINC000076369766 177006618 /nfs/dbraw/zinc/00/66/18/177006618.db2.gz YBHAHORECYYTPT-UHFFFAOYSA-N 1 0 264.438 2.419 10 0 CEAERO CCNC(=O)[C@@H](CCC[NH3+])c1cccc(Cl)c1 ZINC000076658926 177047393 /nfs/dbraw/zinc/04/73/93/177047393.db2.gz WZPBLQAXJCJGHE-LBPRGKRZSA-N 1 0 254.761 2.299 10 0 CEAERO COc1ccccc1N(CC[NH3+])Cc1ccncc1 ZINC000076664283 177050566 /nfs/dbraw/zinc/05/05/66/177050566.db2.gz GWBBLAIFENPGDI-UHFFFAOYSA-N 1 0 257.337 2.056 10 0 CEAERO [NH3+]CCN(Cc1ccccn1)Cc1ccccc1F ZINC000076668712 177052530 /nfs/dbraw/zinc/05/25/30/177052530.db2.gz UQYBBJYOMLZCEY-UHFFFAOYSA-N 1 0 259.328 2.182 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@H]([NH3+])C[C@@H]2C1 ZINC000076695207 177059877 /nfs/dbraw/zinc/05/98/77/177059877.db2.gz AFDHNDBUQDWTBZ-TUAOUCFPSA-N 1 0 254.374 2.371 10 0 CEAERO Cc1cc2nc([C@H](C)[NH3+])cn2cc1Br ZINC000076792495 177097116 /nfs/dbraw/zinc/09/71/16/177097116.db2.gz FCZFXPDNZUKLAH-ZETCQYMHSA-N 1 0 254.131 2.425 10 0 CEAERO Cc1noc(C)c1CCC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000077729623 177296710 /nfs/dbraw/zinc/29/67/10/177296710.db2.gz UBHMHFUDFXUJBF-CQSZACIVSA-N 1 0 295.427 2.317 10 0 CEAERO OC1CCC([NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000078066679 177320647 /nfs/dbraw/zinc/32/06/47/177320647.db2.gz HBTTUZQMUHTLAB-UHFFFAOYSA-N 1 0 274.408 2.108 10 0 CEAERO Cc1cc(C[NH2+][C@@H](C)CS(C)(=O)=O)c2ccccc2n1 ZINC000078639911 177363690 /nfs/dbraw/zinc/36/36/90/177363690.db2.gz VPRQIUVNKCKEJQ-LBPRGKRZSA-N 1 0 292.404 2.066 10 0 CEAERO CCC(CC)[N@H+](CCO)C[C@H](O)COCc1ccccc1 ZINC000078643326 177364831 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ZINC000079475526 177497891 /nfs/dbraw/zinc/49/78/91/177497891.db2.gz OIVPGGAXWMOENH-VIFPVBQESA-N 1 0 268.324 2.196 10 0 CEAERO COc1ccc(NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])cc1OC ZINC000079522928 177515793 /nfs/dbraw/zinc/51/57/93/177515793.db2.gz HMDGQBIMJCESAM-MMDVMMEASA-N 1 0 290.363 2.016 10 0 CEAERO CCN(C[C@@H](C)C(N)=[NH2+])C(=O)Nc1ccc(OC)cc1 ZINC000079778963 177557180 /nfs/dbraw/zinc/55/71/80/177557180.db2.gz HOJMXLMCXYWUQO-SNVBAGLBSA-N 1 0 278.356 2.121 10 0 CEAERO CCN(C(=O)NC1CC1)[C@]1(C[NH3+])CCC[C@H](C)C1 ZINC000079869095 177572950 /nfs/dbraw/zinc/57/29/50/177572950.db2.gz IUFKBNZIIPCXHY-SMDDNHRTSA-N 1 0 253.390 2.088 10 0 CEAERO Cc1nn([C@H](c2cccnc2)[C@H](C)[NH3+])cc1Cl ZINC000080008860 177594807 /nfs/dbraw/zinc/59/48/07/177594807.db2.gz ARPDAKWGDLCVBS-UFBFGSQYSA-N 1 0 250.733 2.177 10 0 CEAERO Cc1nn(-c2nc3c(cc2C(N)=[NH2+])CCCC3)cc1Cl ZINC000080011800 177595043 /nfs/dbraw/zinc/59/50/43/177595043.db2.gz ZNSWNGJQABAIMB-UHFFFAOYSA-N 1 0 289.770 2.392 10 0 CEAERO CC[C@](C)(CO)[NH2+]CC(=O)Nc1cccc(Cl)c1 ZINC000080108602 177610076 /nfs/dbraw/zinc/61/00/76/177610076.db2.gz XLAKWRNWPRDAIO-CYBMUJFWSA-N 1 0 270.760 2.029 10 0 CEAERO C[C@@H]1CCN(C(=O)Cc2cccc3cccnc32)[C@@H](C[NH3+])C1 ZINC000261651079 287524601 /nfs/dbraw/zinc/52/46/01/287524601.db2.gz BIWFASHWUQONSX-CZUORRHYSA-N 1 0 297.402 2.363 10 0 CEAERO C[C@H]1C[C@@H](c2nc(COCC3CC3)no2)CC[N@@H+]1C ZINC000333846153 228216714 /nfs/dbraw/zinc/21/67/14/228216714.db2.gz MIVQWJZJNHBFAY-JQWIXIFHSA-N 1 0 265.357 2.194 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000136324813 419443260 /nfs/dbraw/zinc/44/32/60/419443260.db2.gz GZXSKQGPPQORCV-SNVBAGLBSA-N 1 0 298.770 2.423 10 0 CEAERO COc1ccccc1[C@@H](C)NC(=O)C[C@@H]([NH3+])C(C)C ZINC000136433412 419446235 /nfs/dbraw/zinc/44/62/35/419446235.db2.gz LWTGTRYBFHOLSH-DGCLKSJQSA-N 1 0 264.369 2.246 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCC(C(F)(F)F)CC1 ZINC000136478073 419447350 /nfs/dbraw/zinc/44/73/50/419447350.db2.gz MMKJCMQZFAKQCL-JTQLQIEISA-N 1 0 266.307 2.161 10 0 CEAERO Cc1nc2cc(NC(=O)C[C@@H]([NH3+])C(C)C)ccc2o1 ZINC000136431297 419447801 /nfs/dbraw/zinc/44/78/01/419447801.db2.gz UAWWCKQBMUWCOV-LLVKDONJSA-N 1 0 261.325 2.448 10 0 CEAERO CCOc1ccc(CN(C)C(=O)C[C@@H]([NH3+])C(C)C)cc1 ZINC000136373434 419447993 /nfs/dbraw/zinc/44/79/93/419447993.db2.gz KBHXQZSSWUCWKQ-OAHLLOKOSA-N 1 0 278.396 2.417 10 0 CEAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C)s1 ZINC000393033505 270341385 /nfs/dbraw/zinc/34/13/85/270341385.db2.gz WTAGIDDYULUFBG-GARJFASQSA-N 1 0 252.383 2.374 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000497221704 262111926 /nfs/dbraw/zinc/11/19/26/262111926.db2.gz WAUKSZZUYOZCQO-BFHYXJOUSA-N 1 0 298.427 2.279 10 0 CEAERO CCCCOC[C@H](O)C[N@H+](C)[C@@H](C)c1ccco1 ZINC000195172710 262247537 /nfs/dbraw/zinc/24/75/37/262247537.db2.gz PTDAIKUPSJEKFD-QWHCGFSZSA-N 1 0 255.358 2.450 10 0 CEAERO CCO[C@H]1C[C@H]([NH2+]Cc2cccc(C)n2)C12CCOCC2 ZINC000186262419 270249669 /nfs/dbraw/zinc/24/96/69/270249669.db2.gz NRURQULYCBDRCV-HOTGVXAUSA-N 1 0 290.407 2.454 10 0 CEAERO CCC(CC)NC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000193015706 270282749 /nfs/dbraw/zinc/28/27/49/270282749.db2.gz ZGHZHCQHSHTQSX-CYBMUJFWSA-N 1 0 257.422 2.451 10 0 CEAERO C[NH+](C)C[C@H](NC(=O)CCc1ccccn1)c1ccccc1 ZINC000194425214 270298978 /nfs/dbraw/zinc/29/89/78/270298978.db2.gz JBRDVNHNWNPCKZ-KRWDZBQOSA-N 1 0 297.402 2.433 10 0 CEAERO C[C@H](CC[NH2+]C1CCOCC1)NC(=O)OC(C)(C)C ZINC000230656248 270314155 /nfs/dbraw/zinc/31/41/55/270314155.db2.gz KRHATWYTLUZPMT-LLVKDONJSA-N 1 0 272.389 2.058 10 0 CEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000393036586 270341160 /nfs/dbraw/zinc/34/11/60/270341160.db2.gz XXTGODHYNPXQQN-ZDCRXTMVSA-N 1 0 278.318 2.364 10 0 CEAERO C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000392885229 270341399 /nfs/dbraw/zinc/34/13/99/270341399.db2.gz AWHNXHKHXALREQ-UTLUCORTSA-N 1 0 266.307 2.364 10 0 CEAERO C[C@H]1NC(=O)CC[C@H]1[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000392868161 270341457 /nfs/dbraw/zinc/34/14/57/270341457.db2.gz ITIUWRWUIDRYTD-FVCCEPFGSA-N 1 0 252.402 2.458 10 0 CEAERO Cc1nc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)cs1 ZINC000398721231 270361903 /nfs/dbraw/zinc/36/19/03/270361903.db2.gz RXMDKKPRUWBTAM-DMDPSCGWSA-N 1 0 252.383 2.044 10 0 CEAERO CCOc1ccccc1OCC[N@@H+]1C[C@H](O)CC[C@@H]1C ZINC000399455737 270370090 /nfs/dbraw/zinc/37/00/90/270370090.db2.gz IDXUHKLZYHVWQD-UONOGXRCSA-N 1 0 279.380 2.309 10 0 CEAERO C[NH+](C)[C@H]1CCCN(c2ccnc(C(F)(F)F)n2)C1 ZINC000091440458 273816438 /nfs/dbraw/zinc/81/64/38/273816438.db2.gz YGVBPKNLOUFZCG-VIFPVBQESA-N 1 0 274.290 2.026 10 0 CEAERO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](C)[C@H](OC)c1ccc(F)cc1 ZINC000262526118 287717422 /nfs/dbraw/zinc/71/74/22/287717422.db2.gz GMBIYAVHSHWBSY-JLUCKKNBSA-N 1 0 296.386 2.391 10 0 CEAERO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000262578100 287717911 /nfs/dbraw/zinc/71/79/11/287717911.db2.gz PJEJSJLQACQGLT-CYDGBPFRSA-N 1 0 270.417 2.070 10 0 CEAERO C[C@@H]([NH3+])[C@@H]1CCCN(c2nc(C(F)(F)F)ns2)C1 ZINC000228790264 274239080 /nfs/dbraw/zinc/23/90/80/274239080.db2.gz OAYKUOMXACHKKX-RNFRBKRXSA-N 1 0 280.319 2.121 10 0 CEAERO C[C@@H]1CN(C(=O)N2CCc3c2cccc3F)C[C@@]1(C)C[NH3+] ZINC000334967623 274324937 /nfs/dbraw/zinc/32/49/37/274324937.db2.gz PCUGTNGLWPIHJJ-BDJLRTHQSA-N 1 0 291.370 2.225 10 0 CEAERO C[C@@H]1CN(c2ncc(Br)cc2Cl)C[C@@H]1[NH3+] ZINC000235398159 274369187 /nfs/dbraw/zinc/36/91/87/274369187.db2.gz IIHHLNPDBKOEBH-MUWHJKNJSA-N 1 0 290.592 2.281 10 0 CEAERO C[C@H]1CCN(c2ccc3c(n2)CCCC3=O)[C@@H](C[NH3+])C1 ZINC000333922642 274563097 /nfs/dbraw/zinc/56/30/97/274563097.db2.gz RPCRZQVTPKYMCW-NWDGAFQWSA-N 1 0 273.380 2.164 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1csc(-c2ccoc2)n1 ZINC000193638202 274632394 /nfs/dbraw/zinc/63/23/94/274632394.db2.gz QWKUBYYRXMISGO-MWLCHTKSSA-N 1 0 291.376 2.273 10 0 CEAERO C[C@@H]1CC[C@H](NC(=O)N2CC[C@H]([NH+](C)C)C2)[C@H](C)C1 ZINC000113623072 287777220 /nfs/dbraw/zinc/77/72/20/287777220.db2.gz NGAYVMAQAZMBOF-MQYQWHSLSA-N 1 0 267.417 2.157 10 0 CEAERO Cc1c2ccccc2[nH]c(=O)c1C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000157684810 274669084 /nfs/dbraw/zinc/66/90/84/274669084.db2.gz DYLLDGUBSLHDKI-DGCLKSJQSA-N 1 0 299.374 2.106 10 0 CEAERO FC(F)(F)c1ccc(N2CC[C@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000261580878 274906729 /nfs/dbraw/zinc/90/67/29/274906729.db2.gz FSASLCUAFDRPDH-UWVGGRQHSA-N 1 0 271.286 2.146 10 0 CEAERO Brc1ccc(N2CC[C@]3(CC[NH2+]C3)C2)nc1 ZINC000261571712 275369871 /nfs/dbraw/zinc/36/98/71/275369871.db2.gz HTEDETHYNRSDCU-LBPRGKRZSA-N 1 0 282.185 2.034 10 0 CEAERO CC(C)(C)OC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000071482207 275823136 /nfs/dbraw/zinc/82/31/36/275823136.db2.gz NHFQVUKXYIVIDF-GFCCVEGCSA-N 1 0 254.374 2.386 10 0 CEAERO CC1=C[C@H](C)C[C@H](C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)C1 ZINC000352944068 275924647 /nfs/dbraw/zinc/92/46/47/275924647.db2.gz NQEPBXDDMVWEIU-AHLTXXRQSA-N 1 0 250.386 2.236 10 0 CEAERO CC(C)n1ccnc1CN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261893908 276085929 /nfs/dbraw/zinc/08/59/29/276085929.db2.gz VTUYSYQNOJRHCU-LBPRGKRZSA-N 1 0 250.390 2.023 10 0 CEAERO CCCCOC[C@H](O)C[N@@H+]1CCCCC[C@@H]1C[C@H](C)O ZINC000300312376 276238552 /nfs/dbraw/zinc/23/85/52/276238552.db2.gz DKDWPXOFZFHWMO-ARFHVFGLSA-N 1 0 287.444 2.180 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N1CCCc2cc(F)ccc21 ZINC000236806209 276284951 /nfs/dbraw/zinc/28/49/51/276284951.db2.gz DUCWJEPJWMEZGY-LBPRGKRZSA-N 1 0 250.317 2.232 10 0 CEAERO CCc1ccc([C@@H]2CCCCN2C(=O)C[NH+](C)C)o1 ZINC000173750399 276670621 /nfs/dbraw/zinc/67/06/21/276670621.db2.gz SOKBRMNSYYXMFC-ZDUSSCGKSA-N 1 0 264.369 2.457 10 0 CEAERO CN1CCO[C@@H](C[NH2+][C@@H]2CCSc3ccc(F)cc32)C1 ZINC000180500226 277119800 /nfs/dbraw/zinc/11/98/00/277119800.db2.gz JWHLPNNQOMCATB-GXTWGEPZSA-N 1 0 296.411 2.283 10 0 CEAERO CN1CCO[C@H](C[NH2+]Cc2c(Cl)cccc2Cl)C1 ZINC000105472272 277127804 /nfs/dbraw/zinc/12/78/04/277127804.db2.gz SLORSEIUEZQHGI-SNVBAGLBSA-N 1 0 289.206 2.414 10 0 CEAERO C[N@@H+]1CC[C@]2(CCN(C(=O)N[C@H]3CCc4ccccc43)C2)C1 ZINC000291575408 277184786 /nfs/dbraw/zinc/18/47/86/277184786.db2.gz DORSAOAXFVPEEA-WMZOPIPTSA-N 1 0 299.418 2.411 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@H]([C@H](CCO)[NH2+]C2CC2)C1 ZINC000095084711 277186847 /nfs/dbraw/zinc/18/68/47/277186847.db2.gz PSGLTJIXVJZIHG-JSGCOSHPSA-N 1 0 298.427 2.137 10 0 CEAERO COCCCCC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248062136 277203908 /nfs/dbraw/zinc/20/39/08/277203908.db2.gz LXVJRVVCMQZHKQ-GJZGRUSLSA-N 1 0 255.402 2.430 10 0 CEAERO CC(C)(C)OC1CC(N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000334473131 277209944 /nfs/dbraw/zinc/20/99/44/277209944.db2.gz IUDCAPWTZUMUIU-HSBZDZAISA-N 1 0 252.402 2.113 10 0 CEAERO C[C@@H]1CCCC[C@H]1OCCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261699980 277688369 /nfs/dbraw/zinc/68/83/69/277688369.db2.gz IGFFNJWNTOARFA-KBUPBQIOSA-N 1 0 282.428 2.073 10 0 CEAERO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CN(C)CCO1 ZINC000180496895 277747734 /nfs/dbraw/zinc/74/77/34/277747734.db2.gz VOJVLHNSHXXYKN-DLBZAZTESA-N 1 0 294.414 2.313 10 0 CEAERO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC[C@@H]2O)CCO1 ZINC000135642934 277822743 /nfs/dbraw/zinc/82/27/43/277822743.db2.gz OIYDGLYPAQPLMV-KBXIAJHMSA-N 1 0 255.402 2.473 10 0 CEAERO C[C@@H]1CN(C(=O)c2cc(Cl)ccc2Cl)C[C@H]1[NH3+] ZINC000235360070 277851007 /nfs/dbraw/zinc/85/10/07/277851007.db2.gz SRKRLPYKGKMNTE-RDDDGLTNSA-N 1 0 273.163 2.413 10 0 CEAERO CC(C)[C@H]1CCCN(C(=O)[C@H]([NH3+])C2CCOCC2)CC1 ZINC000261967667 277935690 /nfs/dbraw/zinc/93/56/90/277935690.db2.gz LJFOISPFNKYWDH-DZGCQCFKSA-N 1 0 282.428 2.025 10 0 CEAERO C[C@@H]1C[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)[C@@H](C)O1 ZINC000414273645 278013391 /nfs/dbraw/zinc/01/33/91/278013391.db2.gz ZHRDEWJOQPBADA-HUXGKSLCSA-N 1 0 253.386 2.203 10 0 CEAERO C[C@@H](Cn1cccn1)[NH2+][C@H]1CCOc2ccccc21 ZINC000037155073 278301150 /nfs/dbraw/zinc/30/11/50/278301150.db2.gz FTFRQPOJHMGWHB-JSGCOSHPSA-N 1 0 257.337 2.385 10 0 CEAERO C[C@@H]1C[C@H](C[NH3+])CN1c1ccnc(C(F)(F)F)c1 ZINC000261566916 278961180 /nfs/dbraw/zinc/96/11/80/278961180.db2.gz IIFGOPJEHAKPGX-RKDXNWHRSA-N 1 0 259.275 2.274 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)C1 ZINC000263530543 279059696 /nfs/dbraw/zinc/05/96/96/279059696.db2.gz WGHHQDCKIIWHEA-APSKQVOWSA-N 1 0 282.428 2.338 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1csc2c1CCCC2 ZINC000335501375 279114658 /nfs/dbraw/zinc/11/46/58/279114658.db2.gz SDQOPEURXNPSFZ-BXKDBHETSA-N 1 0 264.394 2.189 10 0 CEAERO C[C@@](CCc1ccc(O)cc1)([NH2+]C1CCCC1)C(N)=O ZINC000037968896 279148288 /nfs/dbraw/zinc/14/82/88/279148288.db2.gz UHZPORIWPYEZBZ-INIZCTEOSA-N 1 0 276.380 2.101 10 0 CEAERO C[C@H](C1CCN(c2cnccn2)CC1)[NH+]1CCCC1 ZINC000077422797 279243468 /nfs/dbraw/zinc/24/34/68/279243468.db2.gz QWBYIABORBTWDK-CYBMUJFWSA-N 1 0 260.385 2.177 10 0 CEAERO C[C@@H]1C[N@H+](CC2CCC(C)CC2)C[C@H]1N1CCOCC1 ZINC000180236954 288150489 /nfs/dbraw/zinc/15/04/89/288150489.db2.gz FAEWWXOUOJHGCZ-MNAZLIDISA-N 1 0 280.456 2.465 10 0 CEAERO [NH3+][C@H](CO)c1cc(Br)cc(Br)c1 ZINC000072199729 279684808 /nfs/dbraw/zinc/68/48/08/279684808.db2.gz BSESVAZJMMNEGU-MRVPVSSYSA-N 1 0 294.974 2.204 10 0 CEAERO Cc1cccc([C@H](C)[NH2+][C@H](C)C[C@@H]2COCCN2)c1 ZINC000134121016 280013807 /nfs/dbraw/zinc/01/38/07/280013807.db2.gz QBUBRQPMWNHFNM-IJEWVQPXSA-N 1 0 262.397 2.413 10 0 CEAERO Cc1cccc(C[N@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000177236134 280102982 /nfs/dbraw/zinc/10/29/82/280102982.db2.gz ROBBQKCPLDJOME-DOTOQJQBSA-N 1 0 274.408 2.148 10 0 CEAERO COCC[N@H+](C)CCCNC(=O)N[C@@H](C)c1cccs1 ZINC000193083532 280184813 /nfs/dbraw/zinc/18/48/13/280184813.db2.gz WEPNDUKBNYRVLU-LBPRGKRZSA-N 1 0 299.440 2.077 10 0 CEAERO CCOC(=O)COCC[NH2+][C@H](C)c1cccc(C)c1 ZINC000233682762 280219931 /nfs/dbraw/zinc/21/99/31/280219931.db2.gz WGIPAXDXLRFLBA-CYBMUJFWSA-N 1 0 265.353 2.225 10 0 CEAERO CCC[C@H](C(=O)N[C@@H]1C[C@](C)(OC)C1(C)C)[NH+](C)C ZINC000245519216 280247281 /nfs/dbraw/zinc/24/72/81/280247281.db2.gz SDMQRKBHZSBHJA-JMSVASOKSA-N 1 0 270.417 2.037 10 0 CEAERO CC[C@H](NC(=O)N(C)C[C@H]1CCC[N@@H+]1CC)[C@H]1CCCO1 ZINC000245860381 280262883 /nfs/dbraw/zinc/26/28/83/280262883.db2.gz DFDYNISRIADGGJ-QLFBSQMISA-N 1 0 297.443 2.070 10 0 CEAERO O=C1NCCC[C@@H]1C[N@@H+]1CCCC12CCCCC2 ZINC000334558159 280286419 /nfs/dbraw/zinc/28/64/19/280286419.db2.gz XKDMSJYCXHIOJX-CYBMUJFWSA-N 1 0 250.386 2.311 10 0 CEAERO O=C1NCCC[C@@H]1C[N@@H+]1CCSC2(CCCCC2)C1 ZINC000334519993 280286933 /nfs/dbraw/zinc/28/69/33/280286933.db2.gz UNLICLXKGUHRMG-CYBMUJFWSA-N 1 0 282.453 2.264 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ccnc(C2CC2)n1 ZINC000246443090 280293974 /nfs/dbraw/zinc/29/39/74/280293974.db2.gz KZNFTHFHGPMYTO-KBPBESRZSA-N 1 0 272.396 2.417 10 0 CEAERO C[C@H]1C[N@H+](C[C@H]2CN(c3ccccc3)C(=O)O2)CCS1 ZINC000246617063 280303649 /nfs/dbraw/zinc/30/36/49/280303649.db2.gz GXVUWQAHZWQNMZ-JSGCOSHPSA-N 1 0 292.404 2.449 10 0 CEAERO CC[C@@H]1CN(C(=O)N[C@H](C)CC(C)C)CC[N@@H+]1CCOC ZINC000246622214 280304055 /nfs/dbraw/zinc/30/40/55/280304055.db2.gz QPYAIOLRFILOKE-HUUCEWRRSA-N 1 0 299.459 2.173 10 0 CEAERO COc1cccc(OCCN2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000246690251 280306423 /nfs/dbraw/zinc/30/64/23/280306423.db2.gz MGSMLAFSMRXJGH-HNNXBMFYSA-N 1 0 290.407 2.244 10 0 CEAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCOCC1CC1 ZINC000247072277 280319651 /nfs/dbraw/zinc/31/96/51/280319651.db2.gz WQKOYJJXANZIHF-ZNMIVQPWSA-N 1 0 281.396 2.219 10 0 CEAERO CC[C@H](C)CN(C)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247334730 280326806 /nfs/dbraw/zinc/32/68/06/280326806.db2.gz NDOJEXHVMZZADA-BFHYXJOUSA-N 1 0 269.433 2.403 10 0 CEAERO Cc1cc(C(=O)N2CC[C@H]([NH3+])[C@H]2C)cc(C)c1F ZINC000335507056 280336605 /nfs/dbraw/zinc/33/66/05/280336605.db2.gz IVRAVWFZSCTFCL-PWSUYJOCSA-N 1 0 250.317 2.004 10 0 CEAERO CCO[C@@H]1C[C@@](CO)([NH2+][C@H](C)C2CCC2)C1(C)C ZINC000248643702 280356865 /nfs/dbraw/zinc/35/68/65/280356865.db2.gz DWXBBPTVQAIYBX-KYOSRNDESA-N 1 0 255.402 2.331 10 0 CEAERO CCCCOC[C@H](O)C[N@H+](C)[C@H]1C[C@@H](OCC)C1(C)C ZINC000248645257 280357139 /nfs/dbraw/zinc/35/71/39/280357139.db2.gz GEOPOHQSYXVJHG-QLFBSQMISA-N 1 0 287.444 2.299 10 0 CEAERO Cc1ccc(Cl)cc1C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000261557113 280843720 /nfs/dbraw/zinc/84/37/20/280843720.db2.gz RFDNATDTUHTFGJ-JOYOIKCWSA-N 1 0 252.745 2.210 10 0 CEAERO CC(C)COc1cccc(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC000423643163 281073882 /nfs/dbraw/zinc/07/38/82/281073882.db2.gz MFNMFLBGAMTPCK-IUODEOHRSA-N 1 0 276.380 2.283 10 0 CEAERO CC(C)c1cccc(OCC(=O)N2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC000423672114 281077838 /nfs/dbraw/zinc/07/78/38/281077838.db2.gz NUBYEHLCQFVUOE-IUODEOHRSA-N 1 0 276.380 2.137 10 0 CEAERO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3ncnn3C1)[C@@H](C)C2 ZINC000245931263 281126537 /nfs/dbraw/zinc/12/65/37/281126537.db2.gz IILHNVZULQINRZ-RVSPLBMKSA-N 1 0 282.391 2.424 10 0 CEAERO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CC1=CCCOC1 ZINC000375850772 281186264 /nfs/dbraw/zinc/18/62/64/281186264.db2.gz SOVGTBCGNKGXBQ-JKSUJKDBSA-N 1 0 264.413 2.282 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCOCC(F)(F)C(F)F ZINC000189311384 288305574 /nfs/dbraw/zinc/30/55/74/288305574.db2.gz CVPPPJYLFUZCFX-GHMZBOCLSA-N 1 0 298.324 2.072 10 0 CEAERO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C[C@H]1CN(C)CCO1 ZINC000246415252 281304932 /nfs/dbraw/zinc/30/49/32/281304932.db2.gz MTSDIFULPJNFBM-IJEWVQPXSA-N 1 0 274.408 2.464 10 0 CEAERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1nncs1 ZINC000128925837 281382366 /nfs/dbraw/zinc/38/23/66/281382366.db2.gz LZIGZFPKFOWTBV-JTQLQIEISA-N 1 0 276.365 2.136 10 0 CEAERO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000069135401 281383207 /nfs/dbraw/zinc/38/32/07/281383207.db2.gz PNTXQGLUOOEGLE-STQMWFEESA-N 1 0 267.394 2.223 10 0 CEAERO C[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000187900807 288864764 /nfs/dbraw/zinc/86/47/64/288864764.db2.gz DNBGCBOPSOYCNO-JYJNAYRXSA-N 1 0 294.439 2.278 10 0 CEAERO CCOCCC1(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)CCC1 ZINC000124035481 289052015 /nfs/dbraw/zinc/05/20/15/289052015.db2.gz JEZKWPJIVZVUMV-LSDHHAIUSA-N 1 0 296.455 2.428 10 0 CEAERO CCCC(=O)N[C@H]1CCCN(CC[NH+]2CCC(C)CC2)C1 ZINC000153702934 289120612 /nfs/dbraw/zinc/12/06/12/289120612.db2.gz VZRPPQJLWNRWLL-INIZCTEOSA-N 1 0 295.471 2.099 10 0 CEAERO CCCC1(CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000154201631 289138482 /nfs/dbraw/zinc/13/84/82/289138482.db2.gz HGFXLEDTBUBRBM-KBPBESRZSA-N 1 0 279.428 2.445 10 0 CEAERO CC[C@@H]1CN(Cc2cccc(OC)c2)CC[N@@H+]1CCOC ZINC000155094578 289164704 /nfs/dbraw/zinc/16/47/04/289164704.db2.gz NSAQHMVIKBQZQH-MRXNPFEDSA-N 1 0 292.423 2.238 10 0 CEAERO CCc1cnccc1C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000155284331 289170552 /nfs/dbraw/zinc/17/05/52/289170552.db2.gz UUUPZGKSJYTKRV-CQSZACIVSA-N 1 0 277.412 2.350 10 0 CEAERO C[C@H](C(=O)N(CC1CCCCC1)C1CC1)C1C[NH2+]C1 ZINC000164253430 289257253 /nfs/dbraw/zinc/25/72/53/289257253.db2.gz HSHLPBPYLRRQMW-LBPRGKRZSA-N 1 0 264.413 2.413 10 0 CEAERO C[C@H](O)C[N@@H+]1CCN([C@@H](C)c2ccccc2F)C[C@@H]1C ZINC000247772650 290116257 /nfs/dbraw/zinc/11/62/57/290116257.db2.gz PQUNMEFDTNESON-IHRRRGAJSA-N 1 0 280.387 2.274 10 0 CEAERO Cc1sc2ncnc(N3CC[C@@H]([NH3+])[C@H]3C)c2c1C ZINC000261568494 294089337 /nfs/dbraw/zinc/08/93/37/294089337.db2.gz JEBPZFKOZMKCGG-PSASIEDQSA-N 1 0 262.382 2.234 10 0 CEAERO COc1ccc(N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cn1 ZINC000093450689 295164445 /nfs/dbraw/zinc/16/44/45/295164445.db2.gz PSJJTPFAXFANMJ-HZSPNIEDSA-N 1 0 261.369 2.423 10 0 CEAERO COc1ccc([C@@H]([NH2+][C@@H]2CCC(=O)NC2)C2CC2)cc1 ZINC000111017463 295216986 /nfs/dbraw/zinc/21/69/86/295216986.db2.gz FNZIJUYVJMUOKV-CJNGLKHVSA-N 1 0 274.364 2.015 10 0 CEAERO [NH3+][C@H](C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C1CCOCC1 ZINC000261774248 295328560 /nfs/dbraw/zinc/32/85/60/295328560.db2.gz MMHQGCJJFHCNFE-XZDPQHSOSA-N 1 0 294.439 2.215 10 0 CEAERO [NH3+][C@H]1CCC[C@@H](C(=O)N2CCC(C(F)(F)F)CC2)C1 ZINC000088420858 295335450 /nfs/dbraw/zinc/33/54/50/295335450.db2.gz OMVQQXCHKDOKQD-KOLCDFICSA-N 1 0 278.318 2.305 10 0 CEAERO O=C(C1C[NH2+]C1)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000262207390 295454544 /nfs/dbraw/zinc/45/45/44/295454544.db2.gz IJFSEAGVZVUJHN-INIZCTEOSA-N 1 0 270.376 2.274 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)C(C)(C)C2CCCC2)C1 ZINC000163102522 297458149 /nfs/dbraw/zinc/45/81/49/297458149.db2.gz JIFMEMQGYPKHIH-ZDUSSCGKSA-N 1 0 252.402 2.365 10 0 CEAERO CCc1ccc(CC)c(NC(=O)[C@H]2C[C@@H](OC)C[NH2+]2)c1 ZINC000517358779 297620362 /nfs/dbraw/zinc/62/03/62/297620362.db2.gz UPOMQBQBYFNHMM-UKRRQHHQSA-N 1 0 276.380 2.127 10 0 CEAERO C[C@H](CNC(=O)[C@H]1CCCO[C@H]1C)[NH+]1CCC(C)CC1 ZINC000251257720 298761180 /nfs/dbraw/zinc/76/11/80/298761180.db2.gz YKDSZKQTUYGWLW-ILXRZTDVSA-N 1 0 282.428 2.038 10 0 CEAERO O=C(CC[NH2+]C1CC1)N1CCCC[C@H]1c1nccs1 ZINC000565667917 298916873 /nfs/dbraw/zinc/91/68/73/298916873.db2.gz XFAZUJPYNCNLRB-LBPRGKRZSA-N 1 0 279.409 2.339 10 0 CEAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1cccnc1Cl ZINC000083704006 300307633 /nfs/dbraw/zinc/30/76/33/300307633.db2.gz MHMFYBURIXHOJN-NWDGAFQWSA-N 1 0 293.798 2.434 10 0 CEAERO Cc1ccccc1[C@@H](C)N1CCO[C@H](C[NH+](C)C)C1 ZINC000130366402 302118717 /nfs/dbraw/zinc/11/87/17/302118717.db2.gz PBKYSHFWENECLL-HUUCEWRRSA-N 1 0 262.397 2.318 10 0 CEAERO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000246727141 302164281 /nfs/dbraw/zinc/16/42/81/302164281.db2.gz YAGJGHDVDNBSRR-QCEMKRCNSA-N 1 0 272.392 2.342 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000261768930 303426180 /nfs/dbraw/zinc/42/61/80/303426180.db2.gz OEACDKDEAGMFMS-NJVJYBDUSA-N 1 0 264.413 2.446 10 0 CEAERO CC1(C)CN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)CC[NH2+]1 ZINC000175390551 312698532 /nfs/dbraw/zinc/69/85/32/312698532.db2.gz DREPPFAHMNGHPC-VXGBXAGGSA-N 1 0 294.345 2.279 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)N1CCC[C@@H]1C1CCC1 ZINC000577124175 314344601 /nfs/dbraw/zinc/34/46/01/314344601.db2.gz IXWPYHZRGGTCCJ-GXTWGEPZSA-N 1 0 250.386 2.167 10 0 CEAERO Cc1c(C[NH2+][C@H](C)[C@H](C)NC(=O)OC(C)(C)C)cnn1C ZINC000381101471 321832613 /nfs/dbraw/zinc/83/26/13/321832613.db2.gz ZPPBYEPIHPORCZ-MNOVXSKESA-N 1 0 296.415 2.120 10 0 CEAERO Cn1ccc([C@@H]2[NH2+]C[C@]23CCN(C(=O)OC(C)(C)C)C3)c1 ZINC000536958514 330383798 /nfs/dbraw/zinc/38/37/98/330383798.db2.gz GLUIVEHQRVZPJX-BBRMVZONSA-N 1 0 291.395 2.297 10 0 CEAERO CC(C)(C)[NH2+]C[C@@H]1CCN(CCc2ccccn2)C1 ZINC000053012178 518761135 /nfs/dbraw/zinc/76/11/35/518761135.db2.gz KLZUKUHWIPVTID-AWEZNQCLSA-N 1 0 261.413 2.334 10 0 CEAERO CC(C)(C)[NH2+]Cc1ccnc(Cc2cccnc2)n1 ZINC000054792040 518765731 /nfs/dbraw/zinc/76/57/31/518765731.db2.gz PNQIRLGHIXNTHU-UHFFFAOYSA-N 1 0 256.353 2.351 10 0 CEAERO CC(C)(C)[NH2+]Cc1nccn1CCc1ccccn1 ZINC000051015416 518769137 /nfs/dbraw/zinc/76/91/37/518769137.db2.gz IXLWIVMIZUZBLP-UHFFFAOYSA-N 1 0 258.369 2.409 10 0 CEAERO CC(C)[NH2+]Cc1nnnn1-c1ccc(Cl)cc1Cl ZINC000054744687 519729690 /nfs/dbraw/zinc/72/96/90/519729690.db2.gz XLAXIIISVSLYEE-UHFFFAOYSA-N 1 0 286.166 2.467 10 0 CEAERO CC(C)C[NH2+]C[C@@H]1CCCCN1C[C@@H]1CCCO1 ZINC000053653010 519744842 /nfs/dbraw/zinc/74/48/42/519744842.db2.gz MDSHZJLFVKIHFY-GJZGRUSLSA-N 1 0 254.418 2.266 10 0 CEAERO CC(C)C[NH2+]Cc1occc1CN1CCO[C@@H](C)C1 ZINC000052382747 519749519 /nfs/dbraw/zinc/74/95/19/519749519.db2.gz AVPAFWYZZAVKOL-ZDUSSCGKSA-N 1 0 266.385 2.246 10 0 CEAERO CC(C)[C@@H](CN(C)C)[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000049199083 519793543 /nfs/dbraw/zinc/79/35/43/519793543.db2.gz ADTBQPCQHWVRAY-CYBMUJFWSA-N 1 0 295.393 2.189 10 0 CEAERO CCC1CCC(NS(=O)(=O)C[C@H]2CCCC[NH2+]2)CC1 ZINC000049631393 519856748 /nfs/dbraw/zinc/85/67/48/519856748.db2.gz ANSBABYMFYCYRQ-JXQTWKCFSA-N 1 0 288.457 2.017 10 0 CEAERO CCCC1CCN([C@H]2COCC[C@@H]2[NH2+]CC)CC1 ZINC000050893604 519903364 /nfs/dbraw/zinc/90/33/64/519903364.db2.gz FLHMGBJRXROFTB-GJZGRUSLSA-N 1 0 254.418 2.266 10 0 CEAERO CCC[NH2+]C1CCN(c2cnn(C(C)C)c2)CC1 ZINC000061683369 519907954 /nfs/dbraw/zinc/90/79/54/519907954.db2.gz WEKKNXDIFMOLNL-UHFFFAOYSA-N 1 0 250.390 2.432 10 0 CEAERO CC[NH2+]CC(C)(C)[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000054637977 519911508 /nfs/dbraw/zinc/91/15/08/519911508.db2.gz KJCMVOHFAUJDDB-GFCCVEGCSA-N 1 0 267.394 2.193 10 0 CEAERO CCC[NH2+]C[C@@H](CCS(=O)(=O)CC)CC(C)C ZINC000052968188 519920881 /nfs/dbraw/zinc/92/08/81/519920881.db2.gz GTZUSONVLLLSLK-ZDUSSCGKSA-N 1 0 263.447 2.473 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N(C)CCCOc1ccccc1 ZINC000061236467 519931399 /nfs/dbraw/zinc/93/13/99/519931399.db2.gz NOZXTKCHSCNZOL-CQSZACIVSA-N 1 0 278.396 2.160 10 0 CEAERO CCC[NH2+]Cc1ccc(O[C@H](CC)C(N)=O)c(Cl)c1 ZINC000061676019 519951744 /nfs/dbraw/zinc/95/17/44/519951744.db2.gz DISCMMAPAWPXSL-GFCCVEGCSA-N 1 0 284.787 2.482 10 0 CEAERO CC[NH2+]C[C@@H]1CC[C@H](COc2ccc(OC)cc2)O1 ZINC000052676863 519955391 /nfs/dbraw/zinc/95/53/91/519955391.db2.gz FKKWEFPUGMBKFZ-LSDHHAIUSA-N 1 0 265.353 2.231 10 0 CEAERO CCC[NH2+]Cc1ccoc1CN1CCSCC1 ZINC000052425533 519959659 /nfs/dbraw/zinc/95/96/59/519959659.db2.gz NLFVLXQZVVPBOA-UHFFFAOYSA-N 1 0 254.399 2.328 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000061230311 519960757 /nfs/dbraw/zinc/96/07/57/519960757.db2.gz HCUBAEORNIPDGS-MJBXVCDLSA-N 1 0 252.402 2.413 10 0 CEAERO CC[NH2+]Cc1nc(N2CCO[C@@H](CC)C2)ccc1Cl ZINC000051444528 520019680 /nfs/dbraw/zinc/01/96/80/520019680.db2.gz GNRXVGJMQYARSW-NSHDSACASA-N 1 0 283.803 2.460 10 0 CEAERO CC[NH2+]Cc1nnnn1[C@@H](C)c1cc(C)sc1C ZINC000054747091 520027628 /nfs/dbraw/zinc/02/76/28/520027628.db2.gz CHTSCLPJNURLSX-VIFPVBQESA-N 1 0 265.386 2.070 10 0 CEAERO CCC[NH2+][C@@H]1CCN(c2ccc(F)cc2OC)C1 ZINC000049568607 520024713 /nfs/dbraw/zinc/02/47/13/520024713.db2.gz WSFRVCVYIDATQZ-GFCCVEGCSA-N 1 0 252.333 2.413 10 0 CEAERO CCCN[C@@](C[N@H+](CC)C(C)C)(C(=O)OC)C1CC1 ZINC000069097108 520050273 /nfs/dbraw/zinc/05/02/73/520050273.db2.gz LVPBDPWSCMYSJJ-OAHLLOKOSA-N 1 0 270.417 2.038 10 0 CEAERO CCCN[C@H](CC[N@H+](C)CC1CCC1)C(=O)OCC ZINC000062532322 520069224 /nfs/dbraw/zinc/06/92/24/520069224.db2.gz PWAXVZBFDRKJGL-CQSZACIVSA-N 1 0 270.417 2.040 10 0 CEAERO CC[NH2+][C@@H](CC[NH+]1CCC(C(C)(C)C)CC1)C(=O)[O-] ZINC000062530590 520089027 /nfs/dbraw/zinc/08/90/27/520089027.db2.gz BMKPUHYXHZKLLG-ZDUSSCGKSA-N 1 0 270.417 2.197 10 0 CEAERO CCOC[C@@H](O)COc1ccccc1[C@@H](CC)[NH2+]C ZINC000069275129 520106906 /nfs/dbraw/zinc/10/69/06/520106906.db2.gz MCXAHXBSYRKKQD-TZMCWYRMSA-N 1 0 267.369 2.133 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)NCc1cccc(OCC)c1 ZINC000061271397 520167061 /nfs/dbraw/zinc/16/70/61/520167061.db2.gz VPMVIXNZTFLTQI-GFCCVEGCSA-N 1 0 264.369 2.090 10 0 CEAERO CC[NH2+][C@H](C)Cc1nc(COc2ccccc2)no1 ZINC000061213133 520173238 /nfs/dbraw/zinc/17/32/38/520173238.db2.gz YCBJJHXJOGTCMQ-LLVKDONJSA-N 1 0 261.325 2.189 10 0 CEAERO CC[NH2+][C@H](CC[N@H+](CC)C1CCCCC1)C(=O)[O-] ZINC000062439114 520186751 /nfs/dbraw/zinc/18/67/51/520186751.db2.gz CAUUBOGHYJEWGV-CYBMUJFWSA-N 1 0 256.390 2.094 10 0 CEAERO CC[NH2+][C@H](Cc1csc(C)n1)C1CCOCC1 ZINC000069309952 520204872 /nfs/dbraw/zinc/20/48/72/520204872.db2.gz BWAVVHTXIISTPF-CYBMUJFWSA-N 1 0 254.399 2.399 10 0 CEAERO CCCC[N@H+](CC)C[C@@](NCCC)(C(=O)OC)C1CC1 ZINC000069090145 520477489 /nfs/dbraw/zinc/47/74/89/520477489.db2.gz BIVVPHOBZXNDMW-INIZCTEOSA-N 1 0 284.444 2.430 10 0 CEAERO CCCCOCCOC[C@@H](O)C[NH2+][C@H](CC)C(C)C ZINC000049130052 520788399 /nfs/dbraw/zinc/78/83/99/520788399.db2.gz RJSDEWUOVWVFAS-LSDHHAIUSA-N 1 0 275.433 2.205 10 0 CEAERO CCCC[C@@H](C)NS(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000050888245 521007620 /nfs/dbraw/zinc/00/76/20/521007620.db2.gz RUMSTQQQUXPWAB-GFCCVEGCSA-N 1 0 284.425 2.143 10 0 CEAERO CCCC[C@@H](CC)COC[C@@H](O)C[NH2+]CCN(C)CC ZINC000054112017 521036889 /nfs/dbraw/zinc/03/68/89/521036889.db2.gz SDULWACHMHKANN-CVEARBPZSA-N 1 0 288.476 2.122 10 0 CEAERO CCC[C@H](C)[N@H+](C)C[C@](NCC)(C(=O)OC)C1CC1 ZINC000069100275 521037114 /nfs/dbraw/zinc/03/71/14/521037114.db2.gz NZJQMULQMKNXNK-SWLSCSKDSA-N 1 0 270.417 2.038 10 0 CEAERO CCN(C[C@]1(C[NH3+])CCOC1)c1ccc(F)cc1 ZINC000051251674 521275090 /nfs/dbraw/zinc/27/50/90/521275090.db2.gz BPRUYFRJGCTFJO-CQSZACIVSA-N 1 0 252.333 2.017 10 0 CEAERO CCCc1nc(N(C)C2CC2)sc1C[NH2+]CCOC ZINC000054996415 521529394 /nfs/dbraw/zinc/52/93/94/521529394.db2.gz MXSOKTXKTADLJV-UHFFFAOYSA-N 1 0 283.441 2.430 10 0 CEAERO CCCc1nc(N2CC[NH+](CC(C)C)CC2)sc1CO ZINC000055076658 521533056 /nfs/dbraw/zinc/53/30/56/521533056.db2.gz CEFSRFLWDJQEQP-UHFFFAOYSA-N 1 0 297.468 2.366 10 0 CEAERO CCS(=O)(=O)CC[C@@H](C[NH3+])Cc1cccc(Cl)c1 ZINC000052948029 521644484 /nfs/dbraw/zinc/64/44/84/521644484.db2.gz RWDPCLGAFYJZNK-GFCCVEGCSA-N 1 0 289.828 2.282 10 0 CEAERO CCS[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC)C1)C(C)C ZINC000067156325 521720667 /nfs/dbraw/zinc/72/06/67/521720667.db2.gz HZBSVHPQYGQZJX-CHWSQXEVSA-N 1 0 272.458 2.365 10 0 CEAERO COCC[C@H]([NH3+])C(=O)Nc1c2ncsc2ccc1Cl ZINC000052791889 521944379 /nfs/dbraw/zinc/94/43/79/521944379.db2.gz SYCSSTOSHVIYPA-QMMMGPOBSA-N 1 0 299.783 2.252 10 0 CEAERO COCC[C@H]([NH3+])C(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC000052792085 521945212 /nfs/dbraw/zinc/94/52/12/521945212.db2.gz XSQTVOPGVGNZSP-KBPBESRZSA-N 1 0 282.359 2.003 10 0 CEAERO C[NH2+]Cc1cnc(OC2CCOCC2)c(Cl)c1 ZINC000051522274 522149917 /nfs/dbraw/zinc/14/99/17/522149917.db2.gz RJALAEJKLYLFON-UHFFFAOYSA-N 1 0 256.733 2.012 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)N[C@H](C)Cc1ccc(F)cc1 ZINC000062033873 522228270 /nfs/dbraw/zinc/22/82/70/522228270.db2.gz IQLJBDUAPIZHCS-VXGBXAGGSA-N 1 0 266.360 2.261 10 0 CEAERO C[NH2+][C@H](C)C(=O)Nc1ccc(Br)c(C)c1 ZINC000052395608 522438736 /nfs/dbraw/zinc/43/87/36/522438736.db2.gz KTNCFNPSXNQULR-MRVPVSSYSA-N 1 0 271.158 2.304 10 0 CEAERO C[NH2+][C@H](CCCS(C)(=O)=O)[C@H]1CCC[C@@H](C)C1 ZINC000063017206 522457796 /nfs/dbraw/zinc/45/77/96/522457796.db2.gz CRYFQAZJKHGSPU-FRRDWIJNSA-N 1 0 261.431 2.226 10 0 CEAERO C[C@H]([NH2+]C[C@@H]1CCCO1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400427979 533882138 /nfs/dbraw/zinc/88/21/38/533882138.db2.gz ZDDSFXNZQLHVMH-IHRRRGAJSA-N 1 0 298.427 2.401 10 0 CEAERO CCCCNC(=O)CN(CCC)C(CC)(CC)C[NH3+] ZINC000050092600 517560450 /nfs/dbraw/zinc/56/04/50/517560450.db2.gz KCXJKXGWCJLYFV-UHFFFAOYSA-N 1 0 271.449 2.132 10 0 CEAERO CC[C@H]1C[C@@]2(C[NH+]=C(N)N2Cc2ccccc2)CCO1 ZINC000093356996 517835484 /nfs/dbraw/zinc/83/54/84/517835484.db2.gz UKEINEAZEVBHBU-GOEBONIOSA-N 1 0 273.380 2.145 10 0 CEAERO C(OC1(C[NH2+]C2CC2)CCCCC1)[C@H]1CCOC1 ZINC000050501271 518400280 /nfs/dbraw/zinc/40/02/80/518400280.db2.gz HPYFWADQOQDHHP-ZDUSSCGKSA-N 1 0 253.386 2.494 10 0 CEAERO CC(C)(C)CC(C)(C)[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000069136525 518629144 /nfs/dbraw/zinc/62/91/44/518629144.db2.gz XIPOUPQAKLRGLS-NSHDSACASA-N 1 0 261.431 2.368 10 0 CEAERO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CC1(C(N)=O)CCOCC1 ZINC000153180097 518973507 /nfs/dbraw/zinc/97/35/07/518973507.db2.gz HKPPTAXPGWLRFT-KBPBESRZSA-N 1 0 296.455 2.463 10 0 CEAERO CC(C)(C)[C@H]1CN(Cc2cn3ccccc3n2)CC[NH2+]1 ZINC000068692807 518980835 /nfs/dbraw/zinc/98/08/35/518980835.db2.gz PXVWVIHVHOWCJP-CQSZACIVSA-N 1 0 272.396 2.154 10 0 CEAERO CC(C)C[C@@H]1CSC(N[C@@H](C)Cn2ccnc2)=[NH+]1 ZINC000049236456 519276737 /nfs/dbraw/zinc/27/67/37/519276737.db2.gz XKKDHVLQMVYBJN-NWDGAFQWSA-N 1 0 266.414 2.379 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)Nc1cc2c(cc1N)OCCO2 ZINC000049554992 519343221 /nfs/dbraw/zinc/34/32/21/519343221.db2.gz IIESFVFFZSNXGH-GFCCVEGCSA-N 1 0 293.411 2.428 10 0 CEAERO CC(C)(c1nc(C2CC2)cs1)N1CC[NH2+]CC1 ZINC000069086600 519381784 /nfs/dbraw/zinc/38/17/84/519381784.db2.gz YYLDQXOLZMVHFJ-UHFFFAOYSA-N 1 0 251.399 2.161 10 0 CEAERO CC(C)C(=O)Nc1cccc(CNC(=O)CC[C@@H](C)[NH3+])c1 ZINC000070317576 519525782 /nfs/dbraw/zinc/52/57/82/519525782.db2.gz JXKGOPFOMASBNS-GFCCVEGCSA-N 1 0 291.395 2.025 10 0 CEAERO CC(C)CCC[C@@H](C)NS(=O)(=O)C[C@@H]1CCCC[NH2+]1 ZINC000049631408 519645548 /nfs/dbraw/zinc/64/55/48/519645548.db2.gz ZAKXJVALUPTTMR-KGLIPLIRSA-N 1 0 290.473 2.263 10 0 CEAERO CC(C)N(CC[NH3+])C(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000050518205 519645946 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CC(C)[C@@H]1CN[C@@H](C(C)C)C[N@@H+]1CCCn1ccnc1 ZINC000068702683 519804776 /nfs/dbraw/zinc/80/47/76/519804776.db2.gz PCGXTZJEQDJJMV-CVEARBPZSA-N 1 0 278.444 2.228 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@@H](C)CN1Cc1cn2ccccc2n1 ZINC000068697729 519804816 /nfs/dbraw/zinc/80/48/16/519804816.db2.gz DHMNSWHGYZMXNY-ZFWWWQNUSA-N 1 0 272.396 2.153 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@@H](C)CN1CCOc1ccccc1 ZINC000062660346 519804867 /nfs/dbraw/zinc/80/48/67/519804867.db2.gz YGDLZTQUCKNPSP-HOCLYGCPSA-N 1 0 262.397 2.384 10 0 CEAERO CC(C)[C@H](C[NH+](C)C)Nc1cc2c(cc1N)NC(=O)CC2 ZINC000049194771 519815042 /nfs/dbraw/zinc/81/50/42/519815042.db2.gz BQWHVFZRFOPSTQ-HNNXBMFYSA-N 1 0 290.411 2.152 10 0 CEAERO CC(C)[C@H](C[NH2+]C1CC1)N1CCN(c2nccs2)CC1 ZINC000052417598 519815755 /nfs/dbraw/zinc/81/57/55/519815755.db2.gz DQCBQGLWCJMEFZ-AWEZNQCLSA-N 1 0 294.468 2.042 10 0 CEAERO CC(C)[C@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1cccs1 ZINC000068802616 519820881 /nfs/dbraw/zinc/82/08/81/519820881.db2.gz BNADLJDSOZRPGB-HIFRSBDPSA-N 1 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WLZIGVODUXLEPB-CQSZACIVSA-N 1 0 266.433 2.219 10 0 CEAERO CCCNC(=O)[C@H](C)Oc1cc(F)ccc1[C@H](C)[NH2+]C ZINC000062746477 519893622 /nfs/dbraw/zinc/89/36/22/519893622.db2.gz HDKRVPSTJIFSEV-QWRGUYRKSA-N 1 0 282.359 2.400 10 0 CEAERO CCOCCC[NH2+]CCN(C)Cc1ccc(OC)cc1 ZINC000053432396 519896558 /nfs/dbraw/zinc/89/65/58/519896558.db2.gz PGYOSOPVTHZXSZ-UHFFFAOYSA-N 1 0 280.412 2.143 10 0 CEAERO CCCC1CCC(NC(=O)c2cc[nH+]c(NN)c2)CC1 ZINC000051117750 519898230 /nfs/dbraw/zinc/89/82/30/519898230.db2.gz MVORNPCEUFRZNW-UHFFFAOYSA-N 1 0 276.384 2.456 10 0 CEAERO CCN(C(=O)C(C)(C)[NH2+]C)[C@H](C)c1cccc(O)c1 ZINC000061317745 519900032 /nfs/dbraw/zinc/90/00/32/519900032.db2.gz XYVMZMZBKVZPIX-LLVKDONJSA-N 1 0 264.369 2.300 10 0 CEAERO CCCC1CCN([C@H]2CC3(CC[C@H]2[NH2+]C)OCCO3)CC1 ZINC000050893620 519903593 /nfs/dbraw/zinc/90/35/93/519903593.db2.gz ZCXFPDJXQXDEKM-CVEARBPZSA-N 1 0 296.455 2.382 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000061295963 519904572 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519908047 /nfs/dbraw/zinc/90/80/47/519908047.db2.gz SVRKHXYBQJXTHX-GOOCMWNKSA-N 1 0 282.428 2.325 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1ccccc1-c1n[nH]c(C)n1 ZINC000061291516 519908330 /nfs/dbraw/zinc/90/83/30/519908330.db2.gz WXWPNFWGWWBGTJ-UHFFFAOYSA-N 1 0 287.367 2.107 10 0 CEAERO CC[NH2+]CCC(=O)N(C)[C@@H](C)c1ccccc1OC ZINC000061294942 519915262 /nfs/dbraw/zinc/91/52/62/519915262.db2.gz QTGXVWQTIWPYAP-LBPRGKRZSA-N 1 0 264.369 2.214 10 0 CEAERO CC[NH2+]CCC(=O)N(C)[C@H](C)c1cc(F)ccc1F ZINC000061294967 519915268 /nfs/dbraw/zinc/91/52/68/519915268.db2.gz DIYUJAIZRMNIJK-SNVBAGLBSA-N 1 0 270.323 2.484 10 0 CEAERO CC[NH2+]CCC(=O)N1CCC[C@@H]1Cc1ccccc1 ZINC000061294561 519915571 /nfs/dbraw/zinc/91/55/71/519915571.db2.gz WMBJUNFPLGKAMI-OAHLLOKOSA-N 1 0 260.381 2.220 10 0 CEAERO CC[NH2+]CCC(=O)N1CC=C(c2ccccc2)CC1 ZINC000061294624 519915656 /nfs/dbraw/zinc/91/56/56/519915656.db2.gz BUWZIEFVYXNHQG-UHFFFAOYSA-N 1 0 258.365 2.302 10 0 CEAERO CC[NH2+]CCC(=O)NCc1cccc(Br)c1 ZINC000061298967 519916791 /nfs/dbraw/zinc/91/67/91/519916791.db2.gz GBBMBVWGUCHQFC-UHFFFAOYSA-N 1 0 285.185 2.065 10 0 CEAERO CC[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000061287546 519917799 /nfs/dbraw/zinc/91/77/99/519917799.db2.gz KLFAMGYAAWGWSO-UHFFFAOYSA-N 1 0 271.158 2.387 10 0 CEAERO CC[NH2+]CCCN1CCN(c2ccccc2Cl)CC1 ZINC000048784570 519919461 /nfs/dbraw/zinc/91/94/61/519919461.db2.gz CXEOTKGBHUJZEL-UHFFFAOYSA-N 1 0 281.831 2.462 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000061231543 519939369 /nfs/dbraw/zinc/93/93/69/519939369.db2.gz GANFKXUUYHBZLR-GFCCVEGCSA-N 1 0 272.352 2.056 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccc(OC)c(F)c1 ZINC000061229318 519940771 /nfs/dbraw/zinc/94/07/71/519940771.db2.gz WGWMFKVJFBQYSY-SECBINFHSA-N 1 0 254.305 2.018 10 0 CEAERO CC[NH2+]C[C@@H](C)c1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000061220385 519944618 /nfs/dbraw/zinc/94/46/18/519944618.db2.gz KOUGCNXDJIYYET-SNVBAGLBSA-N 1 0 291.351 2.467 10 0 CEAERO CCC[NH2+]Cc1ccc(OCCOC(C)C)nc1 ZINC000051526658 519952399 /nfs/dbraw/zinc/95/23/99/519952399.db2.gz IXXHONVGZHPNIC-UHFFFAOYSA-N 1 0 252.358 2.385 10 0 CEAERO CCC[NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000052382312 519953921 /nfs/dbraw/zinc/95/39/21/519953921.db2.gz XKGDXBOWWKQZDO-CQSZACIVSA-N 1 0 262.397 2.407 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000061235791 519962145 /nfs/dbraw/zinc/96/21/45/519962145.db2.gz NEFBQAZILTYQAZ-LBPRGKRZSA-N 1 0 285.391 2.298 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)NCCc1ccc(Cl)cc1 ZINC000061267410 519962296 /nfs/dbraw/zinc/96/22/96/519962296.db2.gz LNUAXNRHVQJDJH-NSHDSACASA-N 1 0 268.788 2.244 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)NCc1nc2ccccc2s1 ZINC000061267089 519963011 /nfs/dbraw/zinc/96/30/11/519963011.db2.gz DIKYJJDNMYYKHB-JTQLQIEISA-N 1 0 277.393 2.158 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N[C@@H](C)c1c(F)cccc1F ZINC000061234569 519963112 /nfs/dbraw/zinc/96/31/12/519963112.db2.gz ZHLPRSAJXXDAAN-UWVGGRQHSA-N 1 0 270.323 2.388 10 0 CEAERO CC(C)n1cc(NC(=O)[C@@H](C[NH3+])Cc2ccccc2)cn1 ZINC000061683342 519963823 /nfs/dbraw/zinc/96/38/23/519963823.db2.gz ZQZICZHDHFINJP-CQSZACIVSA-N 1 0 286.379 2.220 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N[C@H](C)c1cccc(OC)c1 ZINC000061234562 519964282 /nfs/dbraw/zinc/96/42/82/519964282.db2.gz VPQFNDBMOUACQA-NWDGAFQWSA-N 1 0 264.369 2.118 10 0 CEAERO CCOCC[NH2+]CCn1cc(-c2ccccc2)cn1 ZINC000054962335 519965755 /nfs/dbraw/zinc/96/57/55/519965755.db2.gz SIHLYVBCEITFNQ-UHFFFAOYSA-N 1 0 259.353 2.176 10 0 CEAERO CCC[NH2+]Cc1nnnn1[C@@H]1CCCc2sccc21 ZINC000061367314 519972095 /nfs/dbraw/zinc/97/20/95/519972095.db2.gz VOQQANNNHRSJRS-LLVKDONJSA-N 1 0 277.397 2.160 10 0 CEAERO CCC[NH2+]Cc1nnnn1[C@@H]1CCCc2ccccc21 ZINC000054746444 519972789 /nfs/dbraw/zinc/97/27/89/519972789.db2.gz QACDOPHKKJMLPS-CQSZACIVSA-N 1 0 271.368 2.098 10 0 CEAERO CCC[NH2+]Cc1nnnn1[C@H](C)c1ccccc1C ZINC000054747904 519972807 /nfs/dbraw/zinc/97/28/07/519972807.db2.gz PUMJGODGDMNNDS-GFCCVEGCSA-N 1 0 259.357 2.090 10 0 CEAERO CC[NH2+]C[C@H](O)c1ccc(Br)cc1F ZINC000055027919 519972845 /nfs/dbraw/zinc/97/28/45/519972845.db2.gz FSUHYXZYFWBWGO-JTQLQIEISA-N 1 0 262.122 2.231 10 0 CEAERO CCC[NH2+]Cc1nnnn1[C@H](C)c1ccc(Cl)cc1 ZINC000054747658 519973717 /nfs/dbraw/zinc/97/37/17/519973717.db2.gz TYTLYEPBQJKLAF-SNVBAGLBSA-N 1 0 279.775 2.435 10 0 CEAERO CC[NH2+]C[C@H](OC[C@H]1CCOC1)c1ccc(OC)cc1 ZINC000050501233 519974583 /nfs/dbraw/zinc/97/45/83/519974583.db2.gz OEYISLBHUOUZID-BBRMVZONSA-N 1 0 279.380 2.399 10 0 CEAERO CC[NH2+]C[C@H](c1ccccc1)N1CCOC(C)(C)C1 ZINC000052481920 519976004 /nfs/dbraw/zinc/97/60/04/519976004.db2.gz XPVBAONGCJVLRA-OAHLLOKOSA-N 1 0 262.397 2.448 10 0 CEAERO CC[NH2+]C[C@H]1CC[C@H](CN(CC(F)(F)F)C(C)C)O1 ZINC000052502884 519979902 /nfs/dbraw/zinc/97/99/02/519979902.db2.gz OEGYERIPSYZARH-VXGBXAGGSA-N 1 0 282.350 2.416 10 0 CEAERO CC[NH2+]Cc1c(C)cc(C)nc1OCCOCC ZINC000051524264 519983100 /nfs/dbraw/zinc/98/31/00/519983100.db2.gz OSDIZJPNOSPVDO-UHFFFAOYSA-N 1 0 252.358 2.223 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccc(NC(=O)N2CC[C@H](O)C2)cc1 ZINC000061713722 519988783 /nfs/dbraw/zinc/98/87/83/519988783.db2.gz LTGDAVXNZWCSAZ-WFASDCNBSA-N 1 0 291.395 2.346 10 0 CEAERO CC[NH2+]Cc1cc(OCCOC)nc2ccccc12 ZINC000051526776 519993807 /nfs/dbraw/zinc/99/38/07/519993807.db2.gz XOXWTFLNYCRVAV-UHFFFAOYSA-N 1 0 260.337 2.370 10 0 CEAERO CC[NH2+]Cc1nnc(-c2cccc3ncccc32)o1 ZINC000061439319 520025252 /nfs/dbraw/zinc/02/52/52/520025252.db2.gz PHCATARXSCWPJX-UHFFFAOYSA-N 1 0 254.293 2.394 10 0 CEAERO CCC[NH2+][C@@H]1COc2cc(OC[C@H](O)CC)ccc21 ZINC000062805117 520027517 /nfs/dbraw/zinc/02/75/17/520027517.db2.gz VHZOSWDHGJIHCZ-BXUZGUMPSA-N 1 0 265.353 2.269 10 0 CEAERO CCC[NH2+][C@@](C)(CSCc1cccc(C)c1)C(N)=O ZINC000054966384 520038407 /nfs/dbraw/zinc/03/84/07/520038407.db2.gz RPAIPRYPXVKEKR-HNNXBMFYSA-N 1 0 280.437 2.472 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000061269952 520063904 /nfs/dbraw/zinc/06/39/04/520063904.db2.gz VDBAJTBGMCVKKQ-BFHYXJOUSA-N 1 0 252.402 2.413 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N[C@@H](C)c1ccc(OC)c(F)c1 ZINC000061270964 520065090 /nfs/dbraw/zinc/06/50/90/520065090.db2.gz PIHXDXVMWDXJOA-QWRGUYRKSA-N 1 0 282.359 2.400 10 0 CEAERO CC[NH2+][C@@H](C)c1cc(C)ccc1OC[C@H](O)COC ZINC000069053636 520074110 /nfs/dbraw/zinc/07/41/10/520074110.db2.gz LZLOQRWBQKQFPL-QWHCGFSZSA-N 1 0 267.369 2.052 10 0 CEAERO CC[NH2+][C@@H](C)[C@@H](O)c1cc(Br)ccc1OC ZINC000069939444 520074501 /nfs/dbraw/zinc/07/45/01/520074501.db2.gz HRPCVDQWPLWQSD-QPUJVOFHSA-N 1 0 288.185 2.489 10 0 CEAERO CC[NH2+][C@@H](C)c1cnc(N2CCN(C3CC3)CC2)s1 ZINC000054909512 520079410 /nfs/dbraw/zinc/07/94/10/520079410.db2.gz ZEALKKLZJORNBP-NSHDSACASA-N 1 0 280.441 2.098 10 0 CEAERO CC[NH2+][C@@H](C)c1cnc(Cc2ccccn2)nc1C ZINC000054962992 520079602 /nfs/dbraw/zinc/07/96/02/520079602.db2.gz CIQIRCCQFDEMOB-NSHDSACASA-N 1 0 256.353 2.441 10 0 CEAERO CCC[NH2+][C@H](CSc1ccc(Cl)cc1)C(N)=O ZINC000045555082 520087023 /nfs/dbraw/zinc/08/70/23/520087023.db2.gz IIZAWZMKXDYYTC-LLVKDONJSA-N 1 0 272.801 2.286 10 0 CEAERO CCOC[C@@H](O)C[N@H+](Cc1ccsc1)C1CC1 ZINC000069276900 520095191 /nfs/dbraw/zinc/09/51/91/520095191.db2.gz AASQIZLPACGJDO-ZDUSSCGKSA-N 1 0 255.383 2.110 10 0 CEAERO CCC[NH2+][C@H]1c2ccc(OC)cc2CC[C@H]1S(C)(=O)=O ZINC000054930623 520097581 /nfs/dbraw/zinc/09/75/81/520097581.db2.gz YJJFKQZWRJAIOF-CABCVRRESA-N 1 0 297.420 2.095 10 0 CEAERO CCCCCCOC[C@@H](O)C[NH2+][C@H](CN(C)C)C(C)C ZINC000049204357 520100221 /nfs/dbraw/zinc/10/02/21/520100221.db2.gz YMTVWFUQNGUOHB-JKSUJKDBSA-N 1 0 288.476 2.120 10 0 CEAERO CC[NH2+][C@@H](CS(C)(=O)=O)c1cc2ccccc2o1 ZINC000054930450 520102605 /nfs/dbraw/zinc/10/26/05/520102605.db2.gz GAOAXOIIZHSQLW-NSHDSACASA-N 1 0 267.350 2.128 10 0 CEAERO CC[NH2+][C@@H](Cc1cnn(CC)c1)Cc1csc(C)n1 ZINC000055295375 520106476 /nfs/dbraw/zinc/10/64/76/520106476.db2.gz YOMCCPAKYFPRGW-ZDUSSCGKSA-N 1 0 278.425 2.431 10 0 CEAERO CC[NH2+][C@@H](Cc1ccccc1OC)c1cncnc1 ZINC000052887289 520106487 /nfs/dbraw/zinc/10/64/87/520106487.db2.gz IIMWLBHFHXLIQL-AWEZNQCLSA-N 1 0 257.337 2.379 10 0 CEAERO CC[NH2+][C@@H](Cc1cnn(CC)c1)Cc1ccccn1 ZINC000050542780 520106602 /nfs/dbraw/zinc/10/66/02/520106602.db2.gz LMGRQAJGQAZVTD-HNNXBMFYSA-N 1 0 258.369 2.061 10 0 CEAERO CC[NH2+][C@@H](Cc1ncc[nH]1)c1ccc2c(c1)CCO2 ZINC000050892163 520107986 /nfs/dbraw/zinc/10/79/86/520107986.db2.gz HYINKQPKOGWYBD-ZDUSSCGKSA-N 1 0 257.337 2.238 10 0 CEAERO CC[NH2+][C@@H](Cn1ncccc1=O)c1ccc(CC)cc1 ZINC000061402159 520108335 /nfs/dbraw/zinc/10/83/35/520108335.db2.gz YAIAPDXMSXQDSZ-HNNXBMFYSA-N 1 0 271.364 2.157 10 0 CEAERO CC[NH2+][C@@H](Cc1nc(C)cs1)c1cnn(C)c1 ZINC000055268880 520108451 /nfs/dbraw/zinc/10/84/51/520108451.db2.gz NBTQEIGFXSAIQO-NSHDSACASA-N 1 0 250.371 2.078 10 0 CEAERO CC[NH2+][C@@H](c1ccc2c(c1)CC(C)(C)O2)[C@H]1COCCO1 ZINC000055301515 520111939 /nfs/dbraw/zinc/11/19/39/520111939.db2.gz OPMFLBQWMZTBBL-CVEARBPZSA-N 1 0 291.391 2.466 10 0 CEAERO CCCN[C@](C)(C[C@H](C)[N@H+](C)[C@@H](C)C1CC1)C(=O)OC ZINC000068625427 520114557 /nfs/dbraw/zinc/11/45/57/520114557.db2.gz GEXLVNHZQVCBKO-HEHGZKQESA-N 1 0 284.444 2.427 10 0 CEAERO CCCN[C@](C[N@H+](C)C1CCCCCC1)(C(N)=O)C1CC1 ZINC000069100544 520116927 /nfs/dbraw/zinc/11/69/27/520116927.db2.gz HZOSGMPPFLHGMX-KRWDZBQOSA-N 1 0 295.471 2.275 10 0 CEAERO CC[NH2+][C@@H]1CCCc2nc(N3CCOC[C@@H]3C)sc21 ZINC000054903544 520119137 /nfs/dbraw/zinc/11/91/37/520119137.db2.gz DVJVJRKLPYKDNC-WDEREUQCSA-N 1 0 281.425 2.355 10 0 CEAERO CC[NH2+][C@@H]1COc2cc(OCc3noc(CC)n3)ccc21 ZINC000062804602 520124511 /nfs/dbraw/zinc/12/45/11/520124511.db2.gz UNKHBCQKOLTDAG-GFCCVEGCSA-N 1 0 289.335 2.254 10 0 CEAERO CCCNc1cc(C)nc(CC[NH+](CC)CC)n1 ZINC000050849014 520136313 /nfs/dbraw/zinc/13/63/13/520136313.db2.gz CFGUSTGXWNEUQP-UHFFFAOYSA-N 1 0 250.390 2.491 10 0 CEAERO CC[NH2+][C@@](C)(C[C@@H](C)N(CC)c1cccc(C)c1)C(N)=O ZINC000068627767 520139259 /nfs/dbraw/zinc/13/92/59/520139259.db2.gz HTCNZISJEBXXMW-PBHICJAKSA-N 1 0 291.439 2.453 10 0 CEAERO CC[NH2+][C@@](C)(C[C@@H](C)n1c(C)nc2ccccc21)C(N)=O ZINC000068648771 520142858 /nfs/dbraw/zinc/14/28/58/520142858.db2.gz NTRIBPMURVQKRN-BZNIZROVSA-N 1 0 288.395 2.149 10 0 CEAERO CCN[C@@](C[N@H+](C)C(C)(C)CC)(C(=O)OC)C1CC1 ZINC000069446628 520147227 /nfs/dbraw/zinc/14/72/27/520147227.db2.gz AWCPNCUTKGQQFY-OAHLLOKOSA-N 1 0 270.417 2.038 10 0 CEAERO CC[NH2+][C@@](CN(CC)c1ccc(C)cc1)(C(N)=O)C1CC1 ZINC000069231310 520152692 /nfs/dbraw/zinc/15/26/92/520152692.db2.gz XRPPLUUFSSPKQA-QGZVFWFLSA-N 1 0 289.423 2.065 10 0 CEAERO CCN[C@@](C[N@H+](CC)C1CCCC1)(C(=O)OC)C1CC1 ZINC000069099313 520152730 /nfs/dbraw/zinc/15/27/30/520152730.db2.gz XUBNDNBHJDGROU-MRXNPFEDSA-N 1 0 282.428 2.182 10 0 CEAERO CC[NH2+][C@@](CSc1ccc(OC)cc1)(C(N)=O)C1CC1 ZINC000069186985 520157901 /nfs/dbraw/zinc/15/79/01/520157901.db2.gz TXSMBBKYKODPNF-OAHLLOKOSA-N 1 0 294.420 2.031 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N(C)Cc1ccc(F)c(F)c1 ZINC000061272026 520161754 /nfs/dbraw/zinc/16/17/54/520161754.db2.gz XUAPNKRIPUMHGP-SNVBAGLBSA-N 1 0 270.323 2.311 10 0 CEAERO CCOC[C@H](O)COc1ccccc1C[NH2+]CC(C)C ZINC000069275977 520165509 /nfs/dbraw/zinc/16/55/09/520165509.db2.gz QPVMOPPDYKUOPC-HNNXBMFYSA-N 1 0 281.396 2.208 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1cccc(-n2ccnc2)c1 ZINC000061270309 520170581 /nfs/dbraw/zinc/17/05/81/520170581.db2.gz MCFSLLRHRMGBIR-GFCCVEGCSA-N 1 0 272.352 2.199 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000061268945 520171093 /nfs/dbraw/zinc/17/10/93/520171093.db2.gz LCBHBWRADISFSF-MRVPVSSYSA-N 1 0 286.278 2.335 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1sccc1C(=O)OCC ZINC000061273856 520172047 /nfs/dbraw/zinc/17/20/47/520172047.db2.gz QTQRVVCPRVPTFA-SECBINFHSA-N 1 0 284.381 2.251 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1cccnc1OC(C)C ZINC000061274036 520172278 /nfs/dbraw/zinc/17/22/78/520172278.db2.gz FZTWMHZTBYEVAO-LLVKDONJSA-N 1 0 265.357 2.195 10 0 CEAERO CC[NH2+][C@H](C)Cc1nc(-c2cccc(OC)c2)no1 ZINC000061212991 520173679 /nfs/dbraw/zinc/17/36/79/520173679.db2.gz RODWPLMOJRDGSZ-SNVBAGLBSA-N 1 0 261.325 2.286 10 0 CEAERO CCCCC[N@H+](C[C@](NC)(C(=O)OC)C1CC1)C(C)C ZINC000069132327 520174252 /nfs/dbraw/zinc/17/42/52/520174252.db2.gz GWCMWMAXFKGTBY-MRXNPFEDSA-N 1 0 284.444 2.428 10 0 CEAERO CC[NH2+][C@H](C)c1ccccc1-n1ccc(C(=O)N(C)C)n1 ZINC000070328222 520179452 /nfs/dbraw/zinc/17/94/52/520179452.db2.gz YYKWANMMIKQHHP-GFCCVEGCSA-N 1 0 286.379 2.245 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(O[C@H](CC)C(N)=O)c(OC)c1 ZINC000061675823 520179893 /nfs/dbraw/zinc/17/98/93/520179893.db2.gz ZQLJGNIQPWMKAV-ZYHUDNBSSA-N 1 0 280.368 2.008 10 0 CEAERO CCCNc1ccnc(C(=O)NCC(C)(C)C[NH+](C)C)c1 ZINC000050719978 520185115 /nfs/dbraw/zinc/18/51/15/520185115.db2.gz RJAJJIRTALJXHH-UHFFFAOYSA-N 1 0 292.427 2.221 10 0 CEAERO CCCNc1ncccc1C(=O)NCC(C)(C)C[NH+](C)C ZINC000050719983 520193126 /nfs/dbraw/zinc/19/31/26/520193126.db2.gz SLXFHAZGZPFVRE-UHFFFAOYSA-N 1 0 292.427 2.221 10 0 CEAERO CC[NH2+][C@H](Cc1ccc(OC)c(OC)c1)c1nccn1C ZINC000069473578 520202952 /nfs/dbraw/zinc/20/29/52/520202952.db2.gz JOSSTVSWRCBRGZ-CYBMUJFWSA-N 1 0 289.379 2.331 10 0 CEAERO CC[NH2+][C@H]1COc2cc(OCCCOC)ccc21 ZINC000062804950 520220765 /nfs/dbraw/zinc/22/07/65/520220765.db2.gz AZLGBOZSLNWBHH-ZDUSSCGKSA-N 1 0 251.326 2.145 10 0 CEAERO CCN[C@](C)(C[C@@H](C)[N@@H+]1CCCC(C)(C)C1)C(=O)OC ZINC000068647816 520236602 /nfs/dbraw/zinc/23/66/02/520236602.db2.gz USVDOIFTUFBNNC-CZUORRHYSA-N 1 0 284.444 2.428 10 0 CEAERO CCN[C@](C[N@H+](C)C(C)(C)CC)(C(=O)OC)C1CC1 ZINC000069446631 520242742 /nfs/dbraw/zinc/24/27/42/520242742.db2.gz AWCPNCUTKGQQFY-HNNXBMFYSA-N 1 0 270.417 2.038 10 0 CEAERO CC[NH2+][C@](CN1CCC2(CCCC2)CC1)(C(=O)[O-])C1CC1 ZINC000069232568 520246400 /nfs/dbraw/zinc/24/64/00/520246400.db2.gz MUHZHCZGPOEHII-KRWDZBQOSA-N 1 0 294.439 2.486 10 0 CEAERO CC[NH2+][C@](COc1cc(C)cc(C)c1C)(C(N)=O)C1CC1 ZINC000069197887 520251601 /nfs/dbraw/zinc/25/16/01/520251601.db2.gz KWXAIPUOGCZEDK-KRWDZBQOSA-N 1 0 290.407 2.234 10 0 CEAERO CCNc1ccc(C(=O)N2CC[NH+]([C@H](C)CC)CC2)cn1 ZINC000055085344 520284933 /nfs/dbraw/zinc/28/49/33/520284933.db2.gz LUIZFWUBKJJENK-CYBMUJFWSA-N 1 0 290.411 2.070 10 0 CEAERO CCNc1ccc(C(=O)NCC2CC[NH+](C)CC2)cc1 ZINC000050787972 520286407 /nfs/dbraw/zinc/28/64/07/520286407.db2.gz XAQRKFNQZKRSIK-UHFFFAOYSA-N 1 0 275.396 2.190 10 0 CEAERO CCNc1ccc(C(=O)N[C@H]2CCC[N@H+](CC)C2)cc1 ZINC000050777719 520294211 /nfs/dbraw/zinc/29/42/11/520294211.db2.gz SKUMXJJBVCTWDT-HNNXBMFYSA-N 1 0 275.396 2.333 10 0 CEAERO CCO[C@@H](C[NH3+])COc1cccc(C(F)(F)F)c1 ZINC000062740320 520310949 /nfs/dbraw/zinc/31/09/49/520310949.db2.gz NKMQCKUKDUKOFS-NSHDSACASA-N 1 0 263.259 2.448 10 0 CEAERO CCNc1ccccc1C(=O)NCC[NH+](CC)CC ZINC000050727165 520337747 /nfs/dbraw/zinc/33/77/47/520337747.db2.gz XQQVJYUMKAGODS-UHFFFAOYSA-N 1 0 263.385 2.190 10 0 CEAERO CCNc1ncccc1CN1CC[NH+]([C@H](C)CC)CC1 ZINC000055071213 520378159 /nfs/dbraw/zinc/37/81/59/520378159.db2.gz ALCOUXGEDHEMQE-CQSZACIVSA-N 1 0 276.428 2.430 10 0 CEAERO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[C@H](C[NH3+])C1 ZINC000055162112 520418415 /nfs/dbraw/zinc/41/84/15/520418415.db2.gz MCGLSVJPUVIORZ-UWVGGRQHSA-N 1 0 266.307 2.162 10 0 CEAERO CCCOc1ccc([C@@H]2[C@H]([NH3+])CC(=O)N2CC)cc1 ZINC000062209081 520424046 /nfs/dbraw/zinc/42/40/46/520424046.db2.gz ZNEWTKQZUOXSGT-UKRRQHHQSA-N 1 0 262.353 2.096 10 0 CEAERO CCCOc1ccc([C@H]2[C@@H](C[NH2+]CC)OCCN2C)cc1 ZINC000070285560 520433485 /nfs/dbraw/zinc/43/34/85/520433485.db2.gz CZHJLGMFDQGONG-SJORKVTESA-N 1 0 292.423 2.457 10 0 CEAERO CCCOc1cccc(C(=O)N(CCC[NH3+])C2CC2)c1 ZINC000061667228 520440343 /nfs/dbraw/zinc/44/03/43/520440343.db2.gz ICACCDAYAMHGNQ-UHFFFAOYSA-N 1 0 276.380 2.429 10 0 CEAERO CCCOc1cccc([C@@H](C[NH3+])N(CC)CCOC)c1 ZINC000052921140 520465498 /nfs/dbraw/zinc/46/54/98/520465498.db2.gz BEKVFZJOBCYCMS-MRXNPFEDSA-N 1 0 280.412 2.444 10 0 CEAERO CC1(C)CN(c2ccc(Cl)cc2C[NH3+])CCO1 ZINC000052856918 520493949 /nfs/dbraw/zinc/49/39/49/520493949.db2.gz KPFDTKZTRQUYMZ-UHFFFAOYSA-N 1 0 254.761 2.414 10 0 CEAERO CCCOc1nc(N2CC[C@@H]([NH+]3CCCC3)C2)ccc1N ZINC000062975986 520495676 /nfs/dbraw/zinc/49/56/76/520495676.db2.gz YPTMWPWQHXEIPF-CYBMUJFWSA-N 1 0 290.411 2.127 10 0 CEAERO CC1(C)CSC(NC[C@H]2Cc3ccccc3O2)=[NH+]1 ZINC000051087012 520515416 /nfs/dbraw/zinc/51/54/16/520515416.db2.gz YIRQCALDRKBFAY-LLVKDONJSA-N 1 0 262.378 2.461 10 0 CEAERO CCO[C@H](C[NH3+])CCSc1nnc(C2CC2)n1C1CC1 ZINC000062741911 520517872 /nfs/dbraw/zinc/51/78/72/520517872.db2.gz FQJRBCUIRDUYAM-LBPRGKRZSA-N 1 0 296.440 2.336 10 0 CEAERO CCN(CC)C(=O)[C@@H](C[NH3+])Cc1ccc2ncccc2c1 ZINC000069500535 520521803 /nfs/dbraw/zinc/52/18/03/520521803.db2.gz YPDADIJOQWNFEQ-OAHLLOKOSA-N 1 0 285.391 2.221 10 0 CEAERO CCCS(=O)(=O)NC[C@@H](CC(C)C)[NH+]1CCCCC1 ZINC000049737331 520532367 /nfs/dbraw/zinc/53/23/67/520532367.db2.gz CJNRBMZJTPEBAY-CQSZACIVSA-N 1 0 290.473 2.216 10 0 CEAERO CCCS(=O)(=O)c1ccc(OC2CC[NH2+]CC2)cc1 ZINC000051865567 520542914 /nfs/dbraw/zinc/54/29/14/520542914.db2.gz ZTKUMUIPTYIMHE-UHFFFAOYSA-N 1 0 283.393 2.001 10 0 CEAERO CCN(CC)C(=O)c1cc(N[C@@H]2CCCC[NH2+]C2)ccn1 ZINC000070121261 520544253 /nfs/dbraw/zinc/54/42/53/520544253.db2.gz AMXJMCPWZHEXFT-CQSZACIVSA-N 1 0 290.411 2.118 10 0 CEAERO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccccc1NN ZINC000051092248 520628807 /nfs/dbraw/zinc/62/88/07/520628807.db2.gz XTRWOAJJJWZNIR-CYBMUJFWSA-N 1 0 292.427 2.213 10 0 CEAERO CCCCNC(=O)[C@H](C)[NH2+][C@H]1CCc2ccccc2C1 ZINC000052396226 520669278 /nfs/dbraw/zinc/66/92/78/520669278.db2.gz VVLOFFZYZLJKPK-BBRMVZONSA-N 1 0 274.408 2.438 10 0 CEAERO CC[NH+](CC)CCNC(=O)c1cccc2c1NCCC2 ZINC000050957351 520684907 /nfs/dbraw/zinc/68/49/07/520684907.db2.gz WOFNTPVAQIYNDX-UHFFFAOYSA-N 1 0 275.396 2.116 10 0 CEAERO CCOc1cc(C[C@@H]([NH3+])CC)ccc1O[C@H](CC)C(N)=O ZINC000061678389 520734103 /nfs/dbraw/zinc/73/41/03/520734103.db2.gz MSLNZFOPZBDAOQ-QWHCGFSZSA-N 1 0 294.395 2.008 10 0 CEAERO CCCCOCCOC[C@@H]1CC[C@H](C[NH2+]C2CC2)O1 ZINC000052629038 520789024 /nfs/dbraw/zinc/78/90/24/520789024.db2.gz VXIZXTIWTGXYRK-CABCVRRESA-N 1 0 271.401 2.119 10 0 CEAERO CCOC(=O)C[C@@]1([NH+]2CCOCC2)CCC[C@H](C)[C@@H]1C ZINC000068633928 520860388 /nfs/dbraw/zinc/86/03/88/520860388.db2.gz JYBHYDMZCQJDOH-DZKIICNBSA-N 1 0 283.412 2.467 10 0 CEAERO CC1CCC(C[NH3+])(N(C)S(=O)(=O)c2ccccc2)CC1 ZINC000050092777 520915076 /nfs/dbraw/zinc/91/50/76/520915076.db2.gz HHZSEFZOLFXZPK-UHFFFAOYSA-N 1 0 296.436 2.215 10 0 CEAERO CCN(CC)c1nc(C)cc(C[NH2+]CC(C)C)n1 ZINC000054832312 520924962 /nfs/dbraw/zinc/92/49/62/520924962.db2.gz AHVIUQKHAHFPJN-UHFFFAOYSA-N 1 0 250.390 2.377 10 0 CEAERO CCC[C@@]1(C(=O)N[C@H](C)c2cccnc2)CC[NH2+]C1 ZINC000062890653 520942894 /nfs/dbraw/zinc/94/28/94/520942894.db2.gz IUIJBKSKQUWLMV-IUODEOHRSA-N 1 0 261.369 2.039 10 0 CEAERO CC[N@H+](CC1CC1)C[C@@](NC)(C(=O)OC)c1ccccc1 ZINC000069239448 520956959 /nfs/dbraw/zinc/95/69/59/520956959.db2.gz AOIMNAYNAABRFJ-KRWDZBQOSA-N 1 0 290.407 2.006 10 0 CEAERO CCC[C@H](C)C[C@H](C[NH2+]CC)[C@@H]1CCS(=O)(=O)C1 ZINC000052950580 521026584 /nfs/dbraw/zinc/02/65/84/521026584.db2.gz DFEWZGIUGJRIDI-BFHYXJOUSA-N 1 0 275.458 2.473 10 0 CEAERO CCOC(=O)[C@@H](C)Oc1c(C)cc(CC[NH3+])cc1C ZINC000049955321 521032268 /nfs/dbraw/zinc/03/22/68/521032268.db2.gz WVBVACYLZMHOLP-GFCCVEGCSA-N 1 0 265.353 2.135 10 0 CEAERO CCOC(=O)[C@@H](C)n1c(N)[nH+]c2cccc(Cl)c21 ZINC000049374757 521044552 /nfs/dbraw/zinc/04/45/52/521044552.db2.gz JEQVKIICTQKYOG-SSDOTTSWSA-N 1 0 267.716 2.396 10 0 CEAERO CCOC(=O)[C@@H](CC[N@H+](C)C1CCCCC1)NC1CC1 ZINC000062442878 521055319 /nfs/dbraw/zinc/05/53/19/521055319.db2.gz UPTXTIOPHRZAII-OAHLLOKOSA-N 1 0 282.428 2.325 10 0 CEAERO CCC[C@H](C[NH2+]C)[C@H]1CS(=O)(=O)c2ccccc21 ZINC000052969131 521101174 /nfs/dbraw/zinc/10/11/74/521101174.db2.gz ZSSPPHUYOBIZGQ-DGCLKSJQSA-N 1 0 267.394 2.193 10 0 CEAERO CCC[C@H]([NH3+])c1cc2[nH]c(=O)[nH]c2cc1Br ZINC000052094345 521121953 /nfs/dbraw/zinc/12/19/53/521121953.db2.gz QTZDRMGNTXOZLX-QMMMGPOBSA-N 1 0 284.157 2.419 10 0 CEAERO CCOC(=O)[C@@](C)([NH3+])CCCO[C@H]1CCC[C@H](OC)C1 ZINC000069541972 521152893 /nfs/dbraw/zinc/15/28/93/521152893.db2.gz RIAUAKAZYOQZAQ-YDHLFZDLSA-N 1 0 287.400 2.021 10 0 CEAERO CCOC(=O)[C@@](C)([NH3+])C[C@H](C)n1cnc2ccccc21 ZINC000068648926 521156914 /nfs/dbraw/zinc/15/69/14/521156914.db2.gz FOFQEXYPKUXZSU-NHYWBVRUSA-N 1 0 275.352 2.268 10 0 CEAERO CCOC(=O)[C@@]1(N2CCC[NH2+]CC2)CCC[C@@H](C)[C@@H]1C ZINC000068631409 521183428 /nfs/dbraw/zinc/18/34/28/521183428.db2.gz JLFWCQYICIQGEM-IJEWVQPXSA-N 1 0 282.428 2.040 10 0 CEAERO CCC[C@H]1CN(CCOC)[C@H](c2ccccc2)C[NH2+]1 ZINC000068701347 521220677 /nfs/dbraw/zinc/22/06/77/521220677.db2.gz UFNUXKXMHAQISO-HOTGVXAUSA-N 1 0 262.397 2.448 10 0 CEAERO CCC[C@H]1C[NH2+][C@H](C)CN1Cc1cn2ccccc2n1 ZINC000068697589 521223871 /nfs/dbraw/zinc/22/38/71/521223871.db2.gz VGMVVZSTSORQFG-HIFRSBDPSA-N 1 0 272.396 2.297 10 0 CEAERO CCN(C[C@@]1(C[NH2+]C)CCOC1)c1cccc(C)c1 ZINC000051249812 521235104 /nfs/dbraw/zinc/23/51/04/521235104.db2.gz OFVAKGGISVKKGZ-INIZCTEOSA-N 1 0 262.397 2.447 10 0 CEAERO CCOc1ccc([C@@](C)([NH3+])COC)cc1OCC ZINC000055198918 521251067 /nfs/dbraw/zinc/25/10/67/521251067.db2.gz RKAGQZRSOPFMAH-AWEZNQCLSA-N 1 0 253.342 2.304 10 0 CEAERO CCC[C@]1(C(=O)NCc2ccc(F)cc2F)CC[NH2+]C1 ZINC000062903576 521298640 /nfs/dbraw/zinc/29/86/40/521298640.db2.gz JXMWCTMNHBSBSN-HNNXBMFYSA-N 1 0 282.334 2.361 10 0 CEAERO CCN(Cc1ccc(OC)cc1)C(=O)C(C)(C)[NH2+]C ZINC000061317419 521325283 /nfs/dbraw/zinc/32/52/83/521325283.db2.gz DWHZAGFEBRPCMD-UHFFFAOYSA-N 1 0 264.369 2.042 10 0 CEAERO CCOC(=O)[C@](C[NH+]1CCC(C)(CC)CC1)(NC)C1CC1 ZINC000069232522 521340195 /nfs/dbraw/zinc/34/01/95/521340195.db2.gz NUISHCRFWOIEFZ-QGZVFWFLSA-N 1 0 296.455 2.430 10 0 CEAERO CCOC(=O)[C@](C[NH+]1CCC(C)CC1)(NC1CC1)C1CC1 ZINC000069092557 521341052 /nfs/dbraw/zinc/34/10/52/521341052.db2.gz KHYFGCJGFCTQRT-QGZVFWFLSA-N 1 0 294.439 2.182 10 0 CEAERO CCCc1cc(NN)[nH+]c(Cc2csc(C)n2)n1 ZINC000055296725 521381437 /nfs/dbraw/zinc/38/14/37/521381437.db2.gz FCLKIWIZUWCTMZ-UHFFFAOYSA-N 1 0 263.370 2.070 10 0 CEAERO CCOc1cccc(NC(=O)c2cc[nH+]c(NN)c2)c1 ZINC000051117886 521398475 /nfs/dbraw/zinc/39/84/75/521398475.db2.gz CIRSLWDWCDQKSO-UHFFFAOYSA-N 1 0 272.308 2.018 10 0 CEAERO CCOc1cccc(OCC[C@@H](C[NH3+])OCC)c1 ZINC000062741847 521402275 /nfs/dbraw/zinc/40/22/75/521402275.db2.gz SSMLGYRXBQRICK-AWEZNQCLSA-N 1 0 253.342 2.218 10 0 CEAERO CCOc1cccc(O[C@@H](c2cnn(C)c2)[C@H](C)[NH3+])c1 ZINC000051845402 521404077 /nfs/dbraw/zinc/40/40/77/521404077.db2.gz DFSLOZONXXUOPS-XHDPSFHLSA-N 1 0 275.352 2.286 10 0 CEAERO CCOC(=O)c1c(C2CC2)csc1NC(=O)[C@H](C)[NH2+]C ZINC000052395749 521404076 /nfs/dbraw/zinc/40/40/76/521404076.db2.gz RFEVZTVZJSRVFH-QMMMGPOBSA-N 1 0 296.392 2.349 10 0 CEAERO CCCc1ccc(S(=O)(=O)N2[C@H](C)C[NH2+]C[C@@H]2C)cc1 ZINC000069134082 521408617 /nfs/dbraw/zinc/40/86/17/521408617.db2.gz RZCBJHJNWPPDSL-BETUJISGSA-N 1 0 296.436 2.010 10 0 CEAERO CCCc1ccc([C@@H]([NH3+])Cn2nc(C)ccc2=O)cc1 ZINC000061810417 521414822 /nfs/dbraw/zinc/41/48/22/521414822.db2.gz WQLCATVHVCLYQJ-HNNXBMFYSA-N 1 0 271.364 2.204 10 0 CEAERO CCN(Cc1csc(C[NH2+]C(C)C)n1)[C@@H](C)COC ZINC000052504653 521443035 /nfs/dbraw/zinc/44/30/35/521443035.db2.gz RCZCUQRSUGKECX-LBPRGKRZSA-N 1 0 285.457 2.498 10 0 CEAERO CCOc1ccccc1C(=O)CN1CCC[C@H]1C[NH+](C)C ZINC000061645784 521449525 /nfs/dbraw/zinc/44/95/25/521449525.db2.gz ORVJYHRJVHFIAR-AWEZNQCLSA-N 1 0 290.407 2.294 10 0 CEAERO CCC(CC)(CO)[NH2+]C[C@@H](O)c1ccc(F)c(F)c1 ZINC000053070550 521458856 /nfs/dbraw/zinc/45/88/56/521458856.db2.gz MPIFWELOYMLNNG-CYBMUJFWSA-N 1 0 273.323 2.139 10 0 CEAERO CCC(CC)(CO)[NH2+]Cc1ccc(O)c(OC)c1 ZINC000053046607 521458916 /nfs/dbraw/zinc/45/89/16/521458916.db2.gz JCKSWNOYDDBXLR-UHFFFAOYSA-N 1 0 253.342 2.042 10 0 CEAERO CCN(c1ccccc1)S(=O)(=O)CCC[NH2+]C(C)C ZINC000049641545 521497093 /nfs/dbraw/zinc/49/70/93/521497093.db2.gz PEQNSGBIKIJPED-UHFFFAOYSA-N 1 0 284.425 2.231 10 0 CEAERO CCN1C(=O)C[C@H]([NH3+])[C@H]1c1ccc2cc(OC)ccc2c1 ZINC000070293249 521524011 /nfs/dbraw/zinc/52/40/11/521524011.db2.gz ZPIANXKCTWTKEC-DOTOQJQBSA-N 1 0 284.359 2.469 10 0 CEAERO CCCc1nc(N(C)[C@@H](C)COC)sc1C[NH3+] ZINC000054998795 521529013 /nfs/dbraw/zinc/52/90/13/521529013.db2.gz LJSJRJFXXDAKCR-VIFPVBQESA-N 1 0 257.403 2.025 10 0 CEAERO CCCc1[nH+]c2cc(N)ccc2n1[C@H](C)C(=O)NCC ZINC000052855460 521541793 /nfs/dbraw/zinc/54/17/93/521541793.db2.gz ASBBTZYWXPAZQG-SNVBAGLBSA-N 1 0 274.368 2.268 10 0 CEAERO CCC(CC)[N@H+](C)CC[C@H](NC(C)C)C(=O)OC ZINC000062448976 521542574 /nfs/dbraw/zinc/54/25/74/521542574.db2.gz HCEYSIAOVAYZGU-ZDUSSCGKSA-N 1 0 258.406 2.037 10 0 CEAERO CC[NH+]1CCC(CNc2ncccc2C(=O)OC)CC1 ZINC000050046090 521551045 /nfs/dbraw/zinc/55/10/45/521551045.db2.gz RGUVCRAKOZNPDY-UHFFFAOYSA-N 1 0 277.368 2.012 10 0 CEAERO CCC(CC)[NH2+]CCn1cnc2ccsc2c1=O ZINC000053529408 521595775 /nfs/dbraw/zinc/59/57/75/521595775.db2.gz CLRCAXKMAAMATA-UHFFFAOYSA-N 1 0 265.382 2.236 10 0 CEAERO CCCN(CC)c1nc2sccn2c1C[NH2+]CCOC ZINC000062735244 521618550 /nfs/dbraw/zinc/61/85/50/521618550.db2.gz RPKYVGHEBFLGAW-UHFFFAOYSA-N 1 0 296.440 2.368 10 0 CEAERO CCCn1c(=S)[nH]nc1N1CC[NH+]([C@H](C)CC)CC1 ZINC000055068986 521619420 /nfs/dbraw/zinc/61/94/20/521619420.db2.gz JHOGVQXDGQSGSI-LLVKDONJSA-N 1 0 283.445 2.271 10 0 CEAERO CCC1(C(=O)Nc2ccccc2OC)CC[NH2+]CC1 ZINC000062847578 521673407 /nfs/dbraw/zinc/67/34/07/521673407.db2.gz QPRDKHDNJVLKRS-UHFFFAOYSA-N 1 0 262.353 2.414 10 0 CEAERO CCC1(CC)C[NH2+][C@H](C(C)C)CN1Cc1ncccn1 ZINC000068704477 521690337 /nfs/dbraw/zinc/69/03/37/521690337.db2.gz MCLFHMQZBPXCLU-AWEZNQCLSA-N 1 0 276.428 2.465 10 0 CEAERO CCSc1ccccc1NC(=O)[C@@H]([NH3+])CCOC ZINC000052808145 521777785 /nfs/dbraw/zinc/77/77/85/521777785.db2.gz UWSAXUZVSFYSLX-JTQLQIEISA-N 1 0 268.382 2.101 10 0 CEAERO COc1c(C)cnc(CN2CC[NH2+]C3(CCCC3)C2)c1C ZINC000068693307 521811018 /nfs/dbraw/zinc/81/10/18/521811018.db2.gz DCDNHAPDOGWDIG-UHFFFAOYSA-N 1 0 289.423 2.425 10 0 CEAERO C[NH+](C)C[C@@H]1CCCN1CC(=O)c1c[nH]c2ccccc12 ZINC000061645620 521835728 /nfs/dbraw/zinc/83/57/28/521835728.db2.gz RUTGJJCOOVGWCL-ZDUSSCGKSA-N 1 0 285.391 2.377 10 0 CEAERO C[NH+](C)C[C@@H]1CCCN1CC(=O)c1ccc2c(c1)CCC2 ZINC000061645672 521835936 /nfs/dbraw/zinc/83/59/36/521835936.db2.gz VSWGSOHJFGNQIE-KRWDZBQOSA-N 1 0 286.419 2.384 10 0 CEAERO COC(=O)c1cc(CN[C@@H](C[NH+](C)C)C(C)C)oc1C ZINC000049198837 521860272 /nfs/dbraw/zinc/86/02/72/521860272.db2.gz UCZHSSIYIWICOR-AWEZNQCLSA-N 1 0 282.384 2.050 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1c1ccc(C=O)cc1F ZINC000061644948 521874436 /nfs/dbraw/zinc/87/44/36/521874436.db2.gz LOPZYBVVWFBDDY-GFCCVEGCSA-N 1 0 250.317 2.169 10 0 CEAERO CCc1ccccc1[C@@H](C[NH3+])N(C)[C@@H](C)COC ZINC000052203769 521930455 /nfs/dbraw/zinc/93/04/55/521930455.db2.gz ATLHVVDFNYTLLC-SWLSCSKDSA-N 1 0 250.386 2.216 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N(C)[C@H](C)c1ccccc1F ZINC000061317168 521930924 /nfs/dbraw/zinc/93/09/24/521930924.db2.gz WUYNGJGCXIBISC-SNVBAGLBSA-N 1 0 252.333 2.343 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N[C@@H](C)Cc1ccccc1Cl ZINC000061300705 521936590 /nfs/dbraw/zinc/93/65/90/521936590.db2.gz DTUCZQLSLCAFGI-JTQLQIEISA-N 1 0 268.788 2.385 10 0 CEAERO C[NH2+]C(C)(C)C(=O)Nc1cccc(Br)c1 ZINC000061300198 521942787 /nfs/dbraw/zinc/94/27/87/521942787.db2.gz SOQNFRMTIXWEPC-UHFFFAOYSA-N 1 0 271.158 2.386 10 0 CEAERO COCC[C@H]([NH3+])c1nc(-c2ccc(OC)cc2OC)c[nH]1 ZINC000052811295 521951500 /nfs/dbraw/zinc/95/15/00/521951500.db2.gz VPPLVQYJBZTJBO-LBPRGKRZSA-N 1 0 291.351 2.130 10 0 CEAERO CC[C@@H](C)CN(C)Cc1[nH+]c(NN)ccc1Cl ZINC000061639097 521969963 /nfs/dbraw/zinc/96/99/63/521969963.db2.gz LCTSUGSTPXLUEG-SECBINFHSA-N 1 0 256.781 2.499 10 0 CEAERO C[NH2+]CCCc1nnc(-c2ccc(Br)o2)o1 ZINC000050616840 522000838 /nfs/dbraw/zinc/00/08/38/522000838.db2.gz MYZMRQMFRHSXRG-UHFFFAOYSA-N 1 0 286.129 2.244 10 0 CEAERO C[NH2+]CCCc1nnc(-c2cccc3cccnc32)o1 ZINC000061439373 522002870 /nfs/dbraw/zinc/00/28/70/522002870.db2.gz CCDHAUMWMIGICQ-UHFFFAOYSA-N 1 0 268.320 2.437 10 0 CEAERO C[NH2+]CCOCc1cc(Br)cs1 ZINC000051841787 522012437 /nfs/dbraw/zinc/01/24/37/522012437.db2.gz GZHMGHNSDYFART-UHFFFAOYSA-N 1 0 250.161 2.247 10 0 CEAERO COCCc1ccc(OCc2cccnc2C(N)=[NH2+])cc1 ZINC000061658763 522013341 /nfs/dbraw/zinc/01/33/41/522013341.db2.gz QHQLKBMICMFIHO-UHFFFAOYSA-N 1 0 285.347 2.134 10 0 CEAERO C[NH2+]CC[C@H]1CCCCN1C(=O)CCc1ccco1 ZINC000070191868 522018201 /nfs/dbraw/zinc/01/82/01/522018201.db2.gz DRWBNHNACHEOJW-CYBMUJFWSA-N 1 0 264.369 2.203 10 0 CEAERO C[NH2+]CCc1c(C)nc(N2CCCCCC2)nc1C ZINC000054838099 522020309 /nfs/dbraw/zinc/02/03/09/522020309.db2.gz DRFNAHSFQKHQNK-UHFFFAOYSA-N 1 0 262.401 2.236 10 0 CEAERO C[NH2+]CCc1nnc(-c2ccc3ncccc3c2)o1 ZINC000061439488 522022507 /nfs/dbraw/zinc/02/25/07/522022507.db2.gz IPKDOGGPWNGXRI-UHFFFAOYSA-N 1 0 254.293 2.047 10 0 CEAERO C[NH2+]C[C@@H](Cc1cnn(C)c1)Cc1cccc(C)c1 ZINC000052976347 522034406 /nfs/dbraw/zinc/03/44/06/522034406.db2.gz FKVRYEOEHWVJNS-OAHLLOKOSA-N 1 0 257.381 2.349 10 0 CEAERO C[NH2+]C[C@H](OCCOC)c1ccccc1Br ZINC000050495928 522076066 /nfs/dbraw/zinc/07/60/66/522076066.db2.gz LXLNFGLLUIPPDB-LBPRGKRZSA-N 1 0 288.185 2.373 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1C(=O)CSc1ccccc1 ZINC000063167214 522078662 /nfs/dbraw/zinc/07/86/62/522078662.db2.gz LVWLVLATFVQHRK-CYBMUJFWSA-N 1 0 278.421 2.379 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1C(=O)c1ccc(F)cc1 ZINC000063167774 522079750 /nfs/dbraw/zinc/07/97/50/522079750.db2.gz QKFQLGURGWTUOM-CYBMUJFWSA-N 1 0 250.317 2.040 10 0 CEAERO C[NH2+]C[C@]1(Cc2ccc(OC)c(F)c2)CCOC1 ZINC000054663693 522098500 /nfs/dbraw/zinc/09/85/00/522098500.db2.gz LPGYDNAWRKANMN-CQSZACIVSA-N 1 0 253.317 2.003 10 0 CEAERO C[NH2+]Cc1cc(CN2CCO[C@H]3CCC[C@@H]32)oc1C ZINC000052540181 522109299 /nfs/dbraw/zinc/10/92/99/522109299.db2.gz VNDINRLTGOQVEH-GJZGRUSLSA-N 1 0 264.369 2.061 10 0 CEAERO CC[C@@H](C)N1CC[NH+](CC(CC)(CC)CO)CC1 ZINC000055072896 522118044 /nfs/dbraw/zinc/11/80/44/522118044.db2.gz FPWKQUNHBZDLHO-CQSZACIVSA-N 1 0 256.434 2.201 10 0 CEAERO C[NH2+]Cc1cccc(OCCn2nnc3ccccc32)c1 ZINC000052576632 522134585 /nfs/dbraw/zinc/13/45/85/522134585.db2.gz UTGIBTPBSLZZDK-UHFFFAOYSA-N 1 0 282.347 2.230 10 0 CEAERO C[NH2+]Cc1sc(N(C)[C@H]2CCSC2)nc1C ZINC000054996983 522168075 /nfs/dbraw/zinc/16/80/75/522168075.db2.gz SWDKXMVBXVLCNT-VIFPVBQESA-N 1 0 257.428 2.113 10 0 CEAERO CC[C@H](C[NH2+]C1CC1)N1CCN(c2ccccc2F)CC1 ZINC000052374681 522191247 /nfs/dbraw/zinc/19/12/47/522191247.db2.gz SRPGUXUWMAZJPR-OAHLLOKOSA-N 1 0 291.414 2.478 10 0 CEAERO COc1cc(C)c(CN2[C@@H](C)C[NH2+]C[C@@H]2C)cc1OC ZINC000069134818 522195297 /nfs/dbraw/zinc/19/52/97/522195297.db2.gz CCKMBPCRHLGLLM-STQMWFEESA-N 1 0 278.396 2.194 10 0 CEAERO COC[C@@H](C)N(C)c1cccc(Cl)c1C(N)=[NH2+] ZINC000052905596 522222388 /nfs/dbraw/zinc/22/23/88/522222388.db2.gz HCVPRWSHGRWSMI-MRVPVSSYSA-N 1 0 255.749 2.095 10 0 CEAERO COC[C@@H](C)[NH2+]CCSc1cccc(OC)c1 ZINC000053605646 522250821 /nfs/dbraw/zinc/25/08/21/522250821.db2.gz BGFVGJPKFKEIHG-LLVKDONJSA-N 1 0 255.383 2.412 10 0 CEAERO COC(=O)c1ccccc1CN[C@H](C)C[NH+]1CCCC1 ZINC000049150717 522265286 /nfs/dbraw/zinc/26/52/86/522265286.db2.gz WLSOVOVZTJQEOP-CYBMUJFWSA-N 1 0 276.380 2.047 10 0 CEAERO CC[C@H]([NH3+])Cc1cnn([C@@H]2CCC[C@H](OC)C2)c1 ZINC000070339494 522335148 /nfs/dbraw/zinc/33/51/48/522335148.db2.gz HIELZGAXFXHOPW-MJBXVCDLSA-N 1 0 251.374 2.293 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1CC)c1ccsc1 ZINC000061594216 522339344 /nfs/dbraw/zinc/33/93/44/522339344.db2.gz MOAKZRUDIAHVAG-UWVGGRQHSA-N 1 0 298.437 2.224 10 0 CEAERO CC[C@H]([NH3+])[C@@](O)(c1ccc(OC)c(F)c1)C(F)(F)F ZINC000062784659 522342820 /nfs/dbraw/zinc/34/28/20/522342820.db2.gz HDZCWOABXGQJPY-QWRGUYRKSA-N 1 0 281.249 2.322 10 0 CEAERO CC[C@H]([NH3+])c1noc(-c2ccc3nccnc3c2)n1 ZINC000061418779 522348036 /nfs/dbraw/zinc/34/80/36/522348036.db2.gz NZCIWJVWAMEHLL-VIFPVBQESA-N 1 0 255.281 2.090 10 0 CEAERO C[NH2+][C@@H](COc1c(OC)cccc1OC)C1CC1 ZINC000069080229 522358188 /nfs/dbraw/zinc/35/81/88/522358188.db2.gz ALTYRUOCTBAJQX-NSHDSACASA-N 1 0 251.326 2.081 10 0 CEAERO C[NH2+][C@@H](c1cncnc1)c1ccc2ncccc2c1 ZINC000062802217 522373981 /nfs/dbraw/zinc/37/39/81/522373981.db2.gz XLCPALYERNEFNX-OAHLLOKOSA-N 1 0 250.305 2.334 10 0 CEAERO C[NH2+][C@@H]1CCC2(C[C@@H]1Oc1cc(F)cc(F)c1)OCCO2 ZINC000054932650 522377750 /nfs/dbraw/zinc/37/77/50/522377750.db2.gz IAKRGVYMFNMANF-KGLIPLIRSA-N 1 0 299.317 2.227 10 0 CEAERO CCc1nc(N2CC[C@@H](C)C2)sc1C[NH2+]CCOC ZINC000054998464 522387767 /nfs/dbraw/zinc/38/77/67/522387767.db2.gz XSSMUBVVMODKJD-LLVKDONJSA-N 1 0 283.441 2.288 10 0 CEAERO C[NH2+][C@@H]1CCCc2nc(N3CCN(C4CC4)CC3)sc21 ZINC000054909504 522389696 /nfs/dbraw/zinc/38/96/96/522389696.db2.gz DHUANLAFMOPPKQ-GFCCVEGCSA-N 1 0 292.452 2.024 10 0 CEAERO C[NH2+][C@@H]1CCCc2nc(Cc3csc(C)n3)ncc21 ZINC000055296596 522390658 /nfs/dbraw/zinc/39/06/58/522390658.db2.gz BXXWNZTUJZMGQH-GFCCVEGCSA-N 1 0 274.393 2.429 10 0 CEAERO C[NH2+][C@@H]1COc2cc(O[C@@H](C)C(=O)NC(C)(C)C)ccc21 ZINC000062804385 522401312 /nfs/dbraw/zinc/40/13/12/522401312.db2.gz ZMDXOQDSPPVBLK-GXFFZTMASA-N 1 0 292.379 2.022 10 0 CEAERO C[NH2+][C@@](C)(CCCSCc1cccc(C)c1)C(N)=O ZINC000054966510 522410554 /nfs/dbraw/zinc/41/05/54/522410554.db2.gz IHDJGZXPDMPZTM-HNNXBMFYSA-N 1 0 280.437 2.472 10 0 CEAERO C[NH2+][C@H](C)c1ccc(F)cc1OCc1nccn1C ZINC000062746253 522446661 /nfs/dbraw/zinc/44/66/61/522446661.db2.gz KSJOPXAPTDOEQW-SNVBAGLBSA-N 1 0 263.316 2.419 10 0 CEAERO C[NH2+][C@H](C)c1ccc(OC)c(CN2C[C@H](C)CC2=O)c1 ZINC000062816281 522449287 /nfs/dbraw/zinc/44/92/87/522449287.db2.gz BDVGYAQTJBDACE-VXGBXAGGSA-N 1 0 276.380 2.344 10 0 CEAERO C[NH2+][C@H](CS(C)(=O)=O)c1cccc(C(F)(F)F)c1 ZINC000054930225 522471747 /nfs/dbraw/zinc/47/17/47/522471747.db2.gz KPMDPKYRXSBZJO-SNVBAGLBSA-N 1 0 281.299 2.011 10 0 CEAERO COC[C@@H]1CCN(C2(C[NH3+])CCC(C(F)(F)F)CC2)C1 ZINC000069375141 522476394 /nfs/dbraw/zinc/47/63/94/522476394.db2.gz ATOMNZQITOXQIB-PNESKVBLSA-N 1 0 294.361 2.405 10 0 CEAERO C[NH2+][C@H](c1ccco1)c1ccc2c(c1)CCC(=O)N2C ZINC000062806507 522484918 /nfs/dbraw/zinc/48/49/18/522484918.db2.gz XWOAGTSUWXPNFI-INIZCTEOSA-N 1 0 270.332 2.497 10 0 CEAERO COc1cc(C[C@@H](C)[NH3+])cc(OC)c1OC1CCOCC1 ZINC000069310703 522502141 /nfs/dbraw/zinc/50/21/41/522502141.db2.gz BJYUGVKMNCSKIV-LLVKDONJSA-N 1 0 295.379 2.151 10 0 CEAERO C[NH2+][C@H]1CCc2c1cccc2OCc1nc(C)no1 ZINC000062799048 522505514 /nfs/dbraw/zinc/50/55/14/522505514.db2.gz DMRCBMDBRHDTSO-LBPRGKRZSA-N 1 0 259.309 2.164 10 0 CEAERO CCc1nc2ccccc2n1[C@H](c1cnn(C)c1)[C@@H](C)[NH3+] ZINC000062807216 522506326 /nfs/dbraw/zinc/50/63/26/522506326.db2.gz ALGPTMMUZGWITK-BZNIZROVSA-N 1 0 283.379 2.269 10 0 CEAERO C[NH2+][C@H]1COc2cc(OC[C@H](O)c3ccccc3)ccc21 ZINC000062804276 522507822 /nfs/dbraw/zinc/50/78/22/522507822.db2.gz WKKFXWKDFWKXSP-HOTGVXAUSA-N 1 0 285.343 2.452 10 0 CEAERO CN[C@](C)(C[C@@H](C)[N@H+](C)CC1CCCCC1)C(=O)OC ZINC000068638390 522518770 /nfs/dbraw/zinc/51/87/70/522518770.db2.gz OUFWPFJHCBTTQC-CZUORRHYSA-N 1 0 284.444 2.428 10 0 CEAERO C[NH2+][C@](COc1ccc2ccccc2c1)(C(N)=O)C1CC1 ZINC000069197783 522529930 /nfs/dbraw/zinc/52/99/30/522529930.db2.gz KMQCSIMPKFDNFM-KRWDZBQOSA-N 1 0 284.359 2.072 10 0 CEAERO C[NH2+][C@](COc1ccc(C(C)(C)C)cc1)(C(N)=O)C1CC1 ZINC000069197223 522530666 /nfs/dbraw/zinc/53/06/66/522530666.db2.gz JSRHTLLOUWSNDB-KRWDZBQOSA-N 1 0 290.407 2.216 10 0 CEAERO CC[C@@H](C[NH2+]C)N1CCN(c2cccc(C)c2)CC1 ZINC000052418914 522545148 /nfs/dbraw/zinc/54/51/48/522545148.db2.gz ILBLXKPNRXYHAJ-HNNXBMFYSA-N 1 0 261.413 2.115 10 0 CEAERO CNc1ccc(C(=O)NCC(C)(C)C[NH+](C)C)cc1 ZINC000050720029 522586163 /nfs/dbraw/zinc/58/61/63/522586163.db2.gz NCLPSMWBOXVCBP-UHFFFAOYSA-N 1 0 263.385 2.046 10 0 CEAERO CN(CC1(C[NH3+])CCOCC1)c1ccc(F)cc1 ZINC000052182895 522593202 /nfs/dbraw/zinc/59/32/02/522593202.db2.gz MBMABBIQJRHEGD-UHFFFAOYSA-N 1 0 252.333 2.017 10 0 CEAERO CNc1ccc(C)cc1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000053003988 522606738 /nfs/dbraw/zinc/60/67/38/522606738.db2.gz ZOLZSNFYXOFKKU-LBPRGKRZSA-N 1 0 273.380 2.003 10 0 CEAERO CNc1ccc(Cl)c(CSc2nc(N)cc(N)[nH+]2)n1 ZINC000061640766 522624382 /nfs/dbraw/zinc/62/43/82/522624382.db2.gz IFLBUVRILVNQJR-UHFFFAOYSA-N 1 0 296.787 2.023 10 0 CEAERO COc1cc(N)ccc1NC(=O)C[NH+]1CCC(C)(C)CC1 ZINC000061818151 522626220 /nfs/dbraw/zinc/62/62/20/522626220.db2.gz DVFKONILHJOVAS-UHFFFAOYSA-N 1 0 291.395 2.338 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccnc(-c2cccc(OC)c2)n1 ZINC000054834915 522644736 /nfs/dbraw/zinc/64/47/36/522644736.db2.gz GRNAOHAGULOHIA-GFCCVEGCSA-N 1 0 257.337 2.432 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cccc(F)c1)N1CCn2ccnc2C1 ZINC000062246610 522653812 /nfs/dbraw/zinc/65/38/12/522653812.db2.gz PLKFADMYRCDMRX-ZBFHGGJFSA-N 1 0 288.370 2.316 10 0 CEAERO COC1CCN([C@H](C[NH3+])c2cccc3cccnc32)CC1 ZINC000069502434 522708453 /nfs/dbraw/zinc/70/84/53/522708453.db2.gz PJRNHGJQTXCLHW-MRXNPFEDSA-N 1 0 285.391 2.345 10 0 CEAERO COC1CCN(c2cc(Cl)ccc2C(N)=[NH2+])CC1 ZINC000062788802 522709337 /nfs/dbraw/zinc/70/93/37/522709337.db2.gz SLVXZPMUALEIMF-UHFFFAOYSA-N 1 0 267.760 2.239 10 0 CEAERO CN(CC[NH2+]Cc1cccs1)[C@@H]1CCSC1 ZINC000053379304 522865996 /nfs/dbraw/zinc/86/59/96/522865996.db2.gz YXQJGMQAHFCVNA-LLVKDONJSA-N 1 0 256.440 2.275 10 0 CEAERO COc1cc([C@@H]([NH3+])c2ccnn2C)cc(Cl)c1OC ZINC000069467535 522913721 /nfs/dbraw/zinc/91/37/21/522913721.db2.gz KQNFIXHLUSDDEQ-GFCCVEGCSA-N 1 0 281.743 2.139 10 0 CEAERO CC[C@@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2)C1=O)C(C)C ZINC000049128569 522921380 /nfs/dbraw/zinc/92/13/80/522921380.db2.gz RNWOHMWKNJKKLV-ZIAGYGMSSA-N 1 0 274.364 2.343 10 0 CEAERO CC[C@@H]([NH2+][C@@H]1CCCS(=O)(=O)C1)c1ccc(F)cc1 ZINC000069142857 522925590 /nfs/dbraw/zinc/92/55/90/522925590.db2.gz DGLJJPDNOZUNOM-ZIAGYGMSSA-N 1 0 285.384 2.444 10 0 CEAERO CC[C@@H]([NH2+][C@H]1CC(=O)N(C(C)C)C1=O)C1CCCCC1 ZINC000052336416 522945934 /nfs/dbraw/zinc/94/59/34/522945934.db2.gz BRVAODHKQDGTCK-KGLIPLIRSA-N 1 0 280.412 2.471 10 0 CEAERO CN(C[C@@H]1CCCCO1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000069266174 523035468 /nfs/dbraw/zinc/03/54/68/523035468.db2.gz VLLQMFQVSNYWDY-GOEBONIOSA-N 1 0 260.381 2.332 10 0 CEAERO CC[C@@H](Oc1ccc(C[NH2+]CC(C)C)cc1OC)C(N)=O ZINC000062731892 523039374 /nfs/dbraw/zinc/03/93/74/523039374.db2.gz KAAMWCFUWNVIRO-CYBMUJFWSA-N 1 0 294.395 2.084 10 0 CEAERO COC(=O)CCOc1ccc2ccccc2c1C[NH3+] ZINC000069317231 523107786 /nfs/dbraw/zinc/10/77/86/523107786.db2.gz IRGDDJOBDXKXLR-UHFFFAOYSA-N 1 0 259.305 2.240 10 0 CEAERO CN(C[C@H]1CC[N@H+](C)C1)c1cccc(Br)n1 ZINC000069018493 523139121 /nfs/dbraw/zinc/13/91/21/523139121.db2.gz SACWJSFRAYEGGJ-JTQLQIEISA-N 1 0 284.201 2.232 10 0 CEAERO CCn1c(S[C@H](C[NH3+])c2cccc(Cl)c2)n[nH]c1=O ZINC000061594261 523245973 /nfs/dbraw/zinc/24/59/73/523245973.db2.gz YTRXSHFCMUTBHZ-SNVBAGLBSA-N 1 0 298.799 2.037 10 0 CEAERO CC[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc(C[NH3+])c2)C1 ZINC000068602181 523281907 /nfs/dbraw/zinc/28/19/07/523281907.db2.gz GJJHVYPHPCSICF-TZMCWYRMSA-N 1 0 296.436 2.392 10 0 CEAERO CO[C@@H](C(=O)N(CCC[NH3+])CC(C)C)c1ccccc1 ZINC000050436925 523310334 /nfs/dbraw/zinc/31/03/34/523310334.db2.gz DSFSHLQLCRBKOH-OAHLLOKOSA-N 1 0 278.396 2.208 10 0 CEAERO CO[C@@H](C(=O)NCc1cccc(C[NH3+])c1)c1ccccc1 ZINC000050436884 523325606 /nfs/dbraw/zinc/32/56/06/523325606.db2.gz JUFXZKSZCBBLIV-MRXNPFEDSA-N 1 0 284.359 2.149 10 0 CEAERO CC[C@H]1COCCN1c1ccc(Cl)cc1C(N)=[NH2+] ZINC000052860069 523337398 /nfs/dbraw/zinc/33/73/98/523337398.db2.gz SBYVDFFZYGMSTM-JTQLQIEISA-N 1 0 267.760 2.239 10 0 CEAERO CC[C@H]1CO[C@@H](C)CN1Cc1[nH+]c(NN)ccc1Cl ZINC000061638562 523345907 /nfs/dbraw/zinc/34/59/07/523345907.db2.gz JBHFJOIZMIDCKR-UWVGGRQHSA-N 1 0 284.791 2.020 10 0 CEAERO CC(C)(C)NC(=O)C[C@@H](C[NH3+])N1CCCc2ccccc21 ZINC000091320745 534703432 /nfs/dbraw/zinc/70/34/32/534703432.db2.gz DZQPGCKHFDQPMJ-AWEZNQCLSA-N 1 0 289.423 2.071 10 0 CEAERO COCCC[NH2+]C[C@H](C)N(C)Cc1cccs1 ZINC000053490783 523373766 /nfs/dbraw/zinc/37/37/66/523373766.db2.gz ZMTGMRLOYLXGBW-LBPRGKRZSA-N 1 0 256.415 2.195 10 0 CEAERO CCn1cc(CN2CC[NH2+]C[C@H]2C2CCCCC2)cn1 ZINC000068697082 523376248 /nfs/dbraw/zinc/37/62/48/523376248.db2.gz CJGTZWKPYBYMLY-INIZCTEOSA-N 1 0 276.428 2.257 10 0 CEAERO CCn1cc(C[C@@H]([NH3+])c2ccc(F)cc2F)cn1 ZINC000062774242 523394023 /nfs/dbraw/zinc/39/40/23/523394023.db2.gz UEOIFCUSHZPSJR-CYBMUJFWSA-N 1 0 251.280 2.424 10 0 CEAERO CCn1cc([C@@H](Cc2nc(C)cs2)[NH2+]C)cn1 ZINC000055268335 523464684 /nfs/dbraw/zinc/46/46/84/523464684.db2.gz HWZWZFFCWVISBK-LLVKDONJSA-N 1 0 250.371 2.171 10 0 CEAERO CCn1cc([C@H]([NH3+])c2ccc3ncccc3c2)cn1 ZINC000062802098 523479790 /nfs/dbraw/zinc/47/97/90/523479790.db2.gz QMPGDFQTPRGABU-OAHLLOKOSA-N 1 0 252.321 2.499 10 0 CEAERO CC[C@@H]1COCCN1c1nc2c(s1)[C@H]([NH3+])CCC2 ZINC000054896009 523503545 /nfs/dbraw/zinc/50/35/45/523503545.db2.gz XBAHSSPGVHDRCF-NXEZZACHSA-N 1 0 267.398 2.094 10 0 CEAERO CC[C@@H]1CO[C@H](C)CN1c1ccccc1C[NH2+]CCOC ZINC000062736913 523519469 /nfs/dbraw/zinc/51/94/69/523519469.db2.gz NELZEVQCTAYROB-GDBMZVCRSA-N 1 0 292.423 2.426 10 0 CEAERO CC[C@]1(C(=O)N(C)c2ccccc2OC)CCC[NH2+]C1 ZINC000062860606 523534087 /nfs/dbraw/zinc/53/40/87/523534087.db2.gz ZRBYQOUIAFRYFY-INIZCTEOSA-N 1 0 276.380 2.438 10 0 CEAERO CC[C@]1(C(=O)NCc2ccc(C)cc2)CCC[NH2+]C1 ZINC000062852661 523539410 /nfs/dbraw/zinc/53/94/10/523539410.db2.gz KVCWGXOPYGESLF-INIZCTEOSA-N 1 0 260.381 2.391 10 0 CEAERO CC[C@]1(C(=O)N[C@H]2CCCC[C@@H]2C)CCC[NH2+]C1 ZINC000062852516 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CC[C@@]1(C(=O)N(C)Cc2ccc(C)o2)CCC[NH2+]C1 ZINC000062853683 523690575 /nfs/dbraw/zinc/69/05/75/523690575.db2.gz KEHXIIQXXXLIMJ-OAHLLOKOSA-N 1 0 264.369 2.326 10 0 CEAERO CCc1c(C)nn(CC[NH2+][C@@H](C)[C@@H]2CCCO2)c1C ZINC000053540873 523713936 /nfs/dbraw/zinc/71/39/36/523713936.db2.gz ZIJOTMHOLCPJRS-WFASDCNBSA-N 1 0 265.401 2.219 10 0 CEAERO CCc1c(C)nn(C[C@H]2CC[C@@H](C[NH2+]C3CC3)O2)c1C ZINC000052592202 523716121 /nfs/dbraw/zinc/71/61/21/523716121.db2.gz ARASJYSOMWGFAG-LSDHHAIUSA-N 1 0 277.412 2.362 10 0 CEAERO CCc1c(C)nn([C@@H](C)C[C@](C)([NH2+]C(C)C)C(N)=O)c1C ZINC000068649229 523716862 /nfs/dbraw/zinc/71/68/62/523716862.db2.gz SSNUXSGIHFVMOQ-ZBEGNZNMSA-N 1 0 294.443 2.255 10 0 CEAERO C[NH+]1CCC(Oc2cccc(Br)n2)CC1 ZINC000069017211 523782866 /nfs/dbraw/zinc/78/28/66/523782866.db2.gz GWVHDSRCAMAHSM-UHFFFAOYSA-N 1 0 271.158 2.317 10 0 CEAERO COC(=O)[C@@](C)(C[N@@H+]1CCCC(C)(C)C1)NC(C)C ZINC000069516830 523815573 /nfs/dbraw/zinc/81/55/73/523815573.db2.gz QIZADSYJCLAWNO-OAHLLOKOSA-N 1 0 270.417 2.038 10 0 CEAERO C[N@@H+]1CCC[C@@H](Nc2cc(Cl)ccc2C(N)=S)C1 ZINC000062788160 523817077 /nfs/dbraw/zinc/81/70/77/523817077.db2.gz OJRKOJVHKAFDDV-SNVBAGLBSA-N 1 0 283.828 2.480 10 0 CEAERO COC(=O)[C@@](C[N@H+](CC(C)C)C1CC1)(NC(C)C)C1CC1 ZINC000069132036 523822879 /nfs/dbraw/zinc/82/28/79/523822879.db2.gz HPMWWCUVNVHLPL-KRWDZBQOSA-N 1 0 296.455 2.427 10 0 CEAERO COC(=O)[C@@](C[N@@H+]1CCCC(C)(C)C1)(NC(C)C)C1CC1 ZINC000069516903 523823498 /nfs/dbraw/zinc/82/34/98/523823498.db2.gz HPBFKCAIDGPSNR-KRWDZBQOSA-N 1 0 296.455 2.428 10 0 CEAERO CO[C@H](C(=O)NCC[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000050437503 523827657 /nfs/dbraw/zinc/82/76/57/523827657.db2.gz XMJQDHOJRZLWIB-CABCVRRESA-N 1 0 276.380 2.023 10 0 CEAERO CCc1ccc(C(=O)CN2CCC[C@H]2C[NH+](C)C)cc1 ZINC000061645711 523879391 /nfs/dbraw/zinc/87/93/91/523879391.db2.gz CBBJKNYWMQXQKT-INIZCTEOSA-N 1 0 274.408 2.458 10 0 CEAERO COC(=O)[C@H](N[C@@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000050507061 523930772 /nfs/dbraw/zinc/93/07/72/523930772.db2.gz WZNRYHOAAOXMSN-XJKSGUPXSA-N 1 0 290.407 2.221 10 0 CEAERO COCC[NH2+]CC1(Cc2ccccc2)CCOCC1 ZINC000061674604 523936127 /nfs/dbraw/zinc/93/61/27/523936127.db2.gz IHKWVTAQYLIEQG-UHFFFAOYSA-N 1 0 263.381 2.262 10 0 CEAERO CC[C@H](C)[N@H+](CCOC)Cc1ccnc(NC)c1 ZINC000052729280 523938768 /nfs/dbraw/zinc/93/87/68/523938768.db2.gz RNCQOKSLSKORAK-LBPRGKRZSA-N 1 0 251.374 2.370 10 0 CEAERO COCC[NH2+]CCc1c(C)nc(CC(C)(C)C)nc1C ZINC000068849285 523939311 /nfs/dbraw/zinc/93/93/11/523939311.db2.gz DXAXDJLJMZWCJQ-UHFFFAOYSA-N 1 0 279.428 2.461 10 0 CEAERO COCC[NH2+]C[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000062721062 523941541 /nfs/dbraw/zinc/94/15/41/523941541.db2.gz DTJOEKJOAJZUOU-VHSXEESVSA-N 1 0 259.271 2.443 10 0 CEAERO COCC[NH2+]C[C@]1(Cc2ccc(F)cc2F)CCOC1 ZINC000054666456 523945884 /nfs/dbraw/zinc/94/58/84/523945884.db2.gz IFXJNUOPPOBSKD-OAHLLOKOSA-N 1 0 285.334 2.150 10 0 CEAERO COCC[NH2+]Cc1c(C)nc(N2CCCCCC2)nc1C ZINC000054854590 523946056 /nfs/dbraw/zinc/94/60/56/523946056.db2.gz NCUCWWNYOZOPEJ-UHFFFAOYSA-N 1 0 292.427 2.210 10 0 CEAERO COCC[NH2+]C[C@]1(Cc2ccc(C)cc2)CCOC1 ZINC000054666376 523946310 /nfs/dbraw/zinc/94/63/10/523946310.db2.gz HKXVZSGMKLYLHK-MRXNPFEDSA-N 1 0 263.381 2.180 10 0 CEAERO COCC[NH2+]Cc1cc(F)ccc1-n1ccnc1C ZINC000062738608 523950136 /nfs/dbraw/zinc/95/01/36/523950136.db2.gz VGPIWJPXZZYXGH-UHFFFAOYSA-N 1 0 263.316 2.056 10 0 CEAERO CC[C@H](C)[NH+]1CCN(C(=O)c2ccc3c(c2)CCN3)CC1 ZINC000055078082 523951230 /nfs/dbraw/zinc/95/12/30/523951230.db2.gz HFIYDSFMUNOJNR-ZDUSSCGKSA-N 1 0 287.407 2.211 10 0 CEAERO COCC[NH2+]Cc1ccc(-n2nnc3ccccc32)cc1 ZINC000062738637 523951291 /nfs/dbraw/zinc/95/12/91/523951291.db2.gz RBFQWTZBCNKCCR-UHFFFAOYSA-N 1 0 282.347 2.157 10 0 CEAERO COCC[NH2+]Cc1ccc(OC)c(OCC(F)(F)F)c1 ZINC000062732589 523951706 /nfs/dbraw/zinc/95/17/06/523951706.db2.gz LTBYNAHTUDKIEY-UHFFFAOYSA-N 1 0 293.285 2.372 10 0 CEAERO COCC[NH2+]Cc1ccccc1-n1nnc2ccccc21 ZINC000062738640 523954770 /nfs/dbraw/zinc/95/47/70/523954770.db2.gz MHEIIWBLGNUWOR-UHFFFAOYSA-N 1 0 282.347 2.157 10 0 CEAERO CC[C@H](C)[NH+]1CCN(Cc2cc(C=O)ccc2OC)CC1 ZINC000055068375 523955133 /nfs/dbraw/zinc/95/51/33/523955133.db2.gz AVKKEAIPNPMEFL-AWEZNQCLSA-N 1 0 290.407 2.424 10 0 CEAERO COCC[NH2+]Cc1ccccc1N1C[C@@H](C)OC(C)(C)C1 ZINC000062738010 523956063 /nfs/dbraw/zinc/95/60/63/523956063.db2.gz NNMNQXYXAYYKIS-CQSZACIVSA-N 1 0 292.423 2.426 10 0 CEAERO CC[C@H](C)[NH+]1CCN(Cc2ccc(C(N)=S)cc2)CC1 ZINC000055066687 523956297 /nfs/dbraw/zinc/95/62/97/523956297.db2.gz JGAWNWIFCDBMON-ZDUSSCGKSA-N 1 0 291.464 2.237 10 0 CEAERO CC[C@H](C)[NH+]1CCN(Cc2ccnc(NC)c2)CC1 ZINC000055071269 523957025 /nfs/dbraw/zinc/95/70/25/523957025.db2.gz ULEZFSUXXUFZGZ-ZDUSSCGKSA-N 1 0 262.401 2.039 10 0 CEAERO CN(C(=O)c1c[nH+]c(NN)c(Cl)c1)C1CCCCC1 ZINC000051096149 523958313 /nfs/dbraw/zinc/95/83/13/523958313.db2.gz DFUHWEFIRBKEIH-UHFFFAOYSA-N 1 0 282.775 2.425 10 0 CEAERO CO[C@H]1CCC[C@H](Oc2ccc(C(N)=[NH2+])cc2F)C1 ZINC000070330230 523983893 /nfs/dbraw/zinc/98/38/93/523983893.db2.gz AFXLZXHJLFCLTI-QWRGUYRKSA-N 1 0 266.316 2.446 10 0 CEAERO COC(=O)[C@](C)([NH3+])C[C@H](C)n1c(C)nc2ccccc21 ZINC000068648797 524002442 /nfs/dbraw/zinc/00/24/42/524002442.db2.gz QMQSXEGPLAYWHI-ZUZCIYMTSA-N 1 0 275.352 2.186 10 0 CEAERO COC(=O)[C@](C[N@H+](C)C1CCCC1)(NC(C)C)C1CC1 ZINC000069097445 524003997 /nfs/dbraw/zinc/00/39/97/524003997.db2.gz LRVAGDMGYOOZKH-MRXNPFEDSA-N 1 0 282.428 2.181 10 0 CEAERO COC(=O)[C@](C[NH+]1CCC(C)CC1)(NC(C)C)C1CC1 ZINC000069092599 524004824 /nfs/dbraw/zinc/00/48/24/524004824.db2.gz RKCYCBWNIQPLLQ-MRXNPFEDSA-N 1 0 282.428 2.038 10 0 CEAERO COc1ccc(C[NH3+])cc1O[C@H]1CCC[C@H](OC)C1 ZINC000070322294 524016490 /nfs/dbraw/zinc/01/64/90/524016490.db2.gz XROKZSNTUIXJGD-STQMWFEESA-N 1 0 265.353 2.490 10 0 CEAERO CN1c2ccc([C@H]([NH3+])[C@@H]3CCCCO3)cc2CCC1=O ZINC000062806387 524033058 /nfs/dbraw/zinc/03/30/58/524033058.db2.gz CGOYSVUSKPCIML-HOCLYGCPSA-N 1 0 274.364 2.165 10 0 CEAERO COCCO[C@H](C[NH2+]C(C)C)c1ccccc1OC ZINC000050496049 524034141 /nfs/dbraw/zinc/03/41/41/524034141.db2.gz UYTTUPOGGBXCGY-OAHLLOKOSA-N 1 0 267.369 2.397 10 0 CEAERO COc1ccc(CN2CC[C@H](C[NH2+]C3CC3)C2)cc1 ZINC000053011079 524037531 /nfs/dbraw/zinc/03/75/31/524037531.db2.gz ZBELQVNMDLAENL-CQSZACIVSA-N 1 0 260.381 2.269 10 0 CEAERO C[NH+](C)CCCOc1cccc(Br)n1 ZINC000069017203 524058274 /nfs/dbraw/zinc/05/82/74/524058274.db2.gz BFMMZMRUPNQUQS-UHFFFAOYSA-N 1 0 259.147 2.175 10 0 CEAERO CNC(=O)CCCOc1cc(OC)ccc1C[NH2+]C(C)C ZINC000068816573 524065323 /nfs/dbraw/zinc/06/53/23/524065323.db2.gz DRHVFRBGOQTTAT-UHFFFAOYSA-N 1 0 294.395 2.098 10 0 CEAERO COc1ccc(C[NH2+]C(C)(C)C)cc1O[C@@H]1CCOC1=O ZINC000062732467 524068988 /nfs/dbraw/zinc/06/89/88/524068988.db2.gz XDHZGWVUJHLJPV-CYBMUJFWSA-N 1 0 293.363 2.278 10 0 CEAERO C[C@H]1CCCN(Cc2nc3ccccc3[nH]2)[C@@H]1C[NH3+] ZINC000070177688 524097897 /nfs/dbraw/zinc/09/78/97/524097897.db2.gz GRHUUCRBYLEXKG-SMDDNHRTSA-N 1 0 258.369 2.122 10 0 CEAERO CNC(=O)[C@H](C)Oc1c(C[NH2+]C(C)(C)C)cccc1OC ZINC000062732209 524099411 /nfs/dbraw/zinc/09/94/11/524099411.db2.gz RWTDYPCMKMNELF-NSHDSACASA-N 1 0 294.395 2.097 10 0 CEAERO CNC(=O)[C@H](CC(C)C)[NH2+]Cc1ccc(F)cc1C ZINC000050576381 524101656 /nfs/dbraw/zinc/10/16/56/524101656.db2.gz HYPDNSOUPVPLKD-AWEZNQCLSA-N 1 0 266.360 2.384 10 0 CEAERO C[C@H]1CCC[C@@H](NC(=O)[C@@H](C[NH3+])c2ccccc2)C1 ZINC000061611218 524150054 /nfs/dbraw/zinc/15/00/54/524150054.db2.gz MIKCHPBOHAIHCC-CFVMTHIKSA-N 1 0 260.381 2.424 10 0 CEAERO COc1ccc(C[C@H]([NH3+])CC2CCOCC2)cc1OC ZINC000053829368 524156562 /nfs/dbraw/zinc/15/65/62/524156562.db2.gz NOMWWFZQHSZELK-CQSZACIVSA-N 1 0 279.380 2.390 10 0 CEAERO Cc1ccc(C)c(NC(=O)c2ccc(NN)[nH+]c2)c1 ZINC000051096132 524159160 /nfs/dbraw/zinc/15/91/60/524159160.db2.gz XOQBYVHQCMVPQI-UHFFFAOYSA-N 1 0 256.309 2.236 10 0 CEAERO C[C@H](CC[NH+](C)C)NC(=O)c1c[nH]c2ccccc12 ZINC000049561853 524159938 /nfs/dbraw/zinc/15/99/38/524159938.db2.gz BSXIOCGOCUIHBO-LLVKDONJSA-N 1 0 259.353 2.238 10 0 CEAERO C[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc(NN)[nH+]c1 ZINC000051119153 524163311 /nfs/dbraw/zinc/16/33/11/524163311.db2.gz RBDCHOMSAPOXQC-ZYHUDNBSSA-N 1 0 262.357 2.018 10 0 CEAERO COc1ccc(Cc2nc(C)cc(C[C@@H](C)[NH3+])n2)cc1 ZINC000054835109 524164954 /nfs/dbraw/zinc/16/49/54/524164954.db2.gz YMEHOZGKXSQITH-LLVKDONJSA-N 1 0 271.364 2.274 10 0 CEAERO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000063213071 524193384 /nfs/dbraw/zinc/19/33/84/524193384.db2.gz ZSAWLJGKEAYCMN-UONOGXRCSA-N 1 0 296.436 2.242 10 0 CEAERO Cc1cc(C)c(C)c(OCCC(=O)N2CCC[C@H]([NH3+])C2)c1 ZINC000157894407 524246775 /nfs/dbraw/zinc/24/67/75/524246775.db2.gz ILUDKSZZDGFCMO-HNNXBMFYSA-N 1 0 290.407 2.330 10 0 CEAERO C[C@@H](C(=O)Nc1ccc(Cl)c(F)c1)C1C[NH2+]C1 ZINC000164034150 524252970 /nfs/dbraw/zinc/25/29/70/524252970.db2.gz PFKNTTQSYSZGLZ-SSDOTTSWSA-N 1 0 256.708 2.273 10 0 CEAERO C[C@H](C[N@H+](C)CCCOc1ccccc1)C(N)=S ZINC000061815850 524294475 /nfs/dbraw/zinc/29/44/75/524294475.db2.gz DNAXPYSQFRXIGO-GFCCVEGCSA-N 1 0 266.410 2.310 10 0 CEAERO Cc1cccc(C)c1NS(=O)(=O)C[C@H]1CCCC[NH2+]1 ZINC000049630881 524303504 /nfs/dbraw/zinc/30/35/04/524303504.db2.gz PMDJXHHTNPCKEY-CYBMUJFWSA-N 1 0 282.409 2.187 10 0 CEAERO C[C@H](C[NH+]1CCCC1)N[C@H](c1ccco1)c1nccn1C ZINC000049150910 524318997 /nfs/dbraw/zinc/31/89/97/524318997.db2.gz DEDBYCSVBNGOMI-UKRRQHHQSA-N 1 0 288.395 2.176 10 0 CEAERO C[C@@H]1CCC[C@@H](c2noc(CN3CCC[NH2+]CC3)n2)C1 ZINC000061145736 524320524 /nfs/dbraw/zinc/32/05/24/524320524.db2.gz QDMFIHQCHRKICU-CHWSQXEVSA-N 1 0 278.400 2.159 10 0 CEAERO C[C@H]1CC[C@@H](C(=O)N(C)Cc2ccccc2F)C[NH2+]1 ZINC000048874363 524329265 /nfs/dbraw/zinc/32/92/65/524329265.db2.gz RZDQHHOPKKFLER-NWDGAFQWSA-N 1 0 264.344 2.172 10 0 CEAERO C[C@@H]1CCC[C@H](C(=O)NCc2ccc(F)c(F)c2)[NH2+]1 ZINC000049575592 524347861 /nfs/dbraw/zinc/34/78/61/524347861.db2.gz NLPLQJZFXPSGSP-NOZJJQNGSA-N 1 0 268.307 2.112 10 0 CEAERO Cc1ccc(CN(C(=O)[C@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000062114856 524358535 /nfs/dbraw/zinc/35/85/35/524358535.db2.gz HDUKMPLAVBYAFI-AWEZNQCLSA-N 1 0 258.365 2.096 10 0 CEAERO Cc1cccc(CN(C)C(=O)[C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000048871459 524371607 /nfs/dbraw/zinc/37/16/07/524371607.db2.gz ASDVPGVHVDDBFK-ZFWWWQNUSA-N 1 0 260.381 2.342 10 0 CEAERO C[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCC[C@H](C)[C@@H]2[NH3+])C1 ZINC000055126952 524403080 /nfs/dbraw/zinc/40/30/80/524403080.db2.gz OCHXHUIRUZRGPN-HTOAHKCRSA-N 1 0 252.402 2.445 10 0 CEAERO Cc1cc(C)cc(N(C)CCN2CCC[NH2+]CC2)c1 ZINC000061275762 524405088 /nfs/dbraw/zinc/40/50/88/524405088.db2.gz IXYYZYMJKLQVFJ-UHFFFAOYSA-N 1 0 261.413 2.035 10 0 CEAERO C[C@H]1CC[C@H](CNC(=O)C(C)(C)c2ccccc2)C[NH2+]1 ZINC000062036880 524408064 /nfs/dbraw/zinc/40/80/64/524408064.db2.gz MOMSGOGJYULTKR-KBPBESRZSA-N 1 0 274.408 2.469 10 0 CEAERO C[C@@H]1CCC[C@](CO)([NH2+]CC2(O)CCCCC2)C1 ZINC000053125907 524430534 /nfs/dbraw/zinc/43/05/34/524430534.db2.gz MQDZEJBLQZJVSH-KGLIPLIRSA-N 1 0 255.402 2.212 10 0 CEAERO C[C@@H](CC[NH+](C)C)N[C@H]1CC(=O)N(C)c2ccccc21 ZINC000049554360 524479138 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Cc1ccc(O[C@H](C)C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000157835648 525465508 /nfs/dbraw/zinc/46/55/08/525465508.db2.gz ZCOBCWQJSSTYPP-UMVBOHGHSA-N 1 0 276.380 2.006 10 0 CEAERO CSCCC[NH2+]CC(=O)NC1CCCCCC1 ZINC000069447055 525477192 /nfs/dbraw/zinc/47/71/92/525477192.db2.gz AXHYHECTQSAXPR-UHFFFAOYSA-N 1 0 258.431 2.168 10 0 CEAERO C[C@@H]1Cc2ccccc2N1Cc1ccc[nH+]c1NN ZINC000052724490 525534097 /nfs/dbraw/zinc/53/40/97/525534097.db2.gz UBDAITUIFSPGQY-LLVKDONJSA-N 1 0 254.337 2.318 10 0 CEAERO Cc1cc([C@H](C[NH3+])N2CCOC(C)(C)C2)ccc1F ZINC000050546111 525535569 /nfs/dbraw/zinc/53/55/69/525535569.db2.gz QPSYOANJZSDIGH-AWEZNQCLSA-N 1 0 266.360 2.245 10 0 CEAERO COc1ccc2c(c1)CCc1[nH]c(C[NH2+]C3CC3)nc1-2 ZINC000069236436 525536108 /nfs/dbraw/zinc/53/61/08/525536108.db2.gz XYCHTOYCYGKXPD-UHFFFAOYSA-N 1 0 269.348 2.436 10 0 CEAERO Cc1cccnc1[C@@H]([NH3+])c1ccc2c(c1)OCCO2 ZINC000055227116 525547307 /nfs/dbraw/zinc/54/73/07/525547307.db2.gz UXEIZNATLFXVEH-AWEZNQCLSA-N 1 0 256.305 2.209 10 0 CEAERO CSC[C@@H](C)C[NH2+]CC(=O)NC1CCCCC1 ZINC000069447423 525621683 /nfs/dbraw/zinc/62/16/83/525621683.db2.gz JYTTUNFYWBPHRB-NSHDSACASA-N 1 0 258.431 2.024 10 0 CEAERO CSC[C@@H](C)C[NH2+]C[C@@H](O)COC1CCCCC1 ZINC000069447240 525622222 /nfs/dbraw/zinc/62/22/22/525622222.db2.gz CCSDIGAXMPYPOW-QWHCGFSZSA-N 1 0 275.458 2.285 10 0 CEAERO CSC[C@@H](C)C[NH2+][C@H](C)C(=O)N1CCCCCC1 ZINC000069448127 525623518 /nfs/dbraw/zinc/62/35/18/525623518.db2.gz QAZMYQLHTCFWOG-QWHCGFSZSA-N 1 0 272.458 2.366 10 0 CEAERO CSC[C@@H](C)C[NH2+][C@H]1CS(=O)(=O)c2ccccc21 ZINC000069441271 525623568 /nfs/dbraw/zinc/62/35/68/525623568.db2.gz BXEPGYXZZPOMGD-JQWIXIFHSA-N 1 0 285.434 2.104 10 0 CEAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000068612108 525646730 /nfs/dbraw/zinc/64/67/30/525646730.db2.gz CCWOTOGFXSZGEX-ZOWXZIJZSA-N 1 0 296.436 2.248 10 0 CEAERO CSC[C@H](C)C[NH2+]C[C@@H](O)CO[C@@H](C)CC(C)C ZINC000069447275 525681614 /nfs/dbraw/zinc/68/16/14/525681614.db2.gz DFSMRHGTNHDKFF-HZSPNIEDSA-N 1 0 277.474 2.387 10 0 CEAERO Cc1cc2ncnn2c(N2CCCC[C@H]2C[NH2+]C2CC2)c1 ZINC000053699969 525687102 /nfs/dbraw/zinc/68/71/02/525687102.db2.gz JVVGYYGNIKYCNM-AWEZNQCLSA-N 1 0 285.395 2.149 10 0 CEAERO C[C@@H](Nc1ccc(Cl)cc1C(N)=O)[C@@H]1CCC[NH2+]C1 ZINC000052858779 525704840 /nfs/dbraw/zinc/70/48/40/525704840.db2.gz XROPUPDRXNVJSV-NXEZZACHSA-N 1 0 281.787 2.239 10 0 CEAERO Cc1ccnc(S[C@@H](c2ccccn2)[C@@H](C)[NH3+])n1 ZINC000051331382 525710273 /nfs/dbraw/zinc/71/02/73/525710273.db2.gz ACRQZUUNBYXDJO-ZYHUDNBSSA-N 1 0 260.366 2.361 10 0 CEAERO C[C@@](CCC[NH+]1Cc2ccccc2C1)([NH2+]C1CC1)C(=O)[O-] ZINC000050912256 525739115 /nfs/dbraw/zinc/73/91/15/525739115.db2.gz JMEVNPUSDRNNFQ-KRWDZBQOSA-N 1 0 288.391 2.378 10 0 CEAERO C[C@H](O)CN(C)c1nc2sccn2c1C[NH2+]C(C)(C)C ZINC000062738148 525745391 /nfs/dbraw/zinc/74/53/91/525745391.db2.gz HVFKBLZAUMLVJM-JTQLQIEISA-N 1 0 296.440 2.101 10 0 CEAERO C[C@@]([NH3+])(C(=O)NC[C@H]1CC=CCC1)c1ccccc1 ZINC000052883054 525747085 /nfs/dbraw/zinc/74/70/85/525747085.db2.gz ZMKBUGOSCBXAPX-BBRMVZONSA-N 1 0 258.365 2.333 10 0 CEAERO Cc1ccc([C@@H](C)n2nnnc2C[NH2+]C(C)(C)C)cc1 ZINC000054747990 525756727 /nfs/dbraw/zinc/75/67/27/525756727.db2.gz MEPZWDWNKMOAOQ-GFCCVEGCSA-N 1 0 273.384 2.479 10 0 CEAERO Cc1ccc([C@@H]([NH3+])CCN(C)Cc2nccn2C)cc1 ZINC000062323426 525766897 /nfs/dbraw/zinc/76/68/97/525766897.db2.gz BOYHXWVJOHTNNZ-HNNXBMFYSA-N 1 0 272.396 2.250 10 0 CEAERO Cc1c(F)cccc1NC(=O)c1ccc(NN)[nH+]c1 ZINC000051094616 525812916 /nfs/dbraw/zinc/81/29/16/525812916.db2.gz RMSRRKALYKBZDI-UHFFFAOYSA-N 1 0 260.272 2.067 10 0 CEAERO C[C@H](O)c1ccccc1NC(=O)c1ccc(C[NH3+])cc1 ZINC000049547291 525860991 /nfs/dbraw/zinc/86/09/91/525860991.db2.gz JDQLLTTUIFXEFB-NSHDSACASA-N 1 0 270.332 2.451 10 0 CEAERO C[C@@]1(c2ccccc2)C[N@H+](C[C@@H]2CCCCO2)CCN1 ZINC000068693704 525901009 /nfs/dbraw/zinc/90/10/09/525901009.db2.gz LJSJVGSTAZLNGN-IRXDYDNUSA-N 1 0 274.408 2.376 10 0 CEAERO COc1cccc(CN(C)c2ncc(C[NH3+])s2)c1 ZINC000054898818 525919704 /nfs/dbraw/zinc/91/97/04/525919704.db2.gz UFIDRIBTHZUAKX-UHFFFAOYSA-N 1 0 263.366 2.247 10 0 CEAERO Cc1ccc(-n2nnnc2C[NH2+]CC(C)C)c(C)c1 ZINC000054744414 525936444 /nfs/dbraw/zinc/93/64/44/525936444.db2.gz KDZZTNQDAYBKKB-UHFFFAOYSA-N 1 0 259.357 2.025 10 0 CEAERO Cc1ccc(-n2nnnc2C[NH2+]CC(C)C)cc1Cl ZINC000054744708 525937484 /nfs/dbraw/zinc/93/74/84/525937484.db2.gz GRRVJLFCVJMMKM-UHFFFAOYSA-N 1 0 279.775 2.370 10 0 CEAERO COc1cccc(CN2C[C@@H](C(C)C)[NH2+]CC2(C)C)n1 ZINC000068704007 525954251 /nfs/dbraw/zinc/95/42/51/525954251.db2.gz AWOHMBOESRNNEG-AWEZNQCLSA-N 1 0 277.412 2.299 10 0 CEAERO Cc1ccc([C@H](O)CNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])cc1 ZINC000262928478 525976801 /nfs/dbraw/zinc/97/68/01/525976801.db2.gz HOONSOYROJBHGE-INMHGKMJSA-N 1 0 290.407 2.052 10 0 CEAERO Cc1cnc(CNC2[C@@H]3CCC[C@H]2C[N@@H+](C(C)C)C3)cn1 ZINC000061320819 526037332 /nfs/dbraw/zinc/03/73/32/526037332.db2.gz YCDJSFAFTIJTMO-FKEKPDDDSA-N 1 0 288.439 2.384 10 0 CEAERO COc1cccc(N(C)C(=O)CC[NH2+]C(C)(C)C)c1 ZINC000049972344 526127961 /nfs/dbraw/zinc/12/79/61/526127961.db2.gz IAJCOIIVJKAKBI-UHFFFAOYSA-N 1 0 264.369 2.436 10 0 CEAERO CSc1cccc(NC(=O)c2ccc(NN)[nH+]c2)c1 ZINC000051089141 526135289 /nfs/dbraw/zinc/13/52/89/526135289.db2.gz MSBBGGASTSWDII-UHFFFAOYSA-N 1 0 274.349 2.341 10 0 CEAERO Cc1ccc(C(C)C)c(O[C@H](C)C[C@](C)([NH3+])C(N)=O)c1 ZINC000068655715 526249449 /nfs/dbraw/zinc/24/94/49/526249449.db2.gz OPUCRHQPHUCGIE-WBMJQRKESA-N 1 0 278.396 2.479 10 0 CEAERO Cc1ccc2[nH]c(Sc3nccnc3C[NH3+])nc2c1 ZINC000061440490 526256232 /nfs/dbraw/zinc/25/62/32/526256232.db2.gz KJPIEDRLWZJEQH-UHFFFAOYSA-N 1 0 271.349 2.271 10 0 CEAERO Cc1nn([C@H](c2ccncc2)[C@@H](C)[NH3+])c(C)c1Cl ZINC000050586402 526306191 /nfs/dbraw/zinc/30/61/91/526306191.db2.gz AVLMRZIKOIGSIO-OQPBUACISA-N 1 0 264.760 2.485 10 0 CEAERO O=C(NCC[NH+]1CCCCC1)[C@H]1CCc2ccccc2N1 ZINC000049575581 526308058 /nfs/dbraw/zinc/30/80/58/526308058.db2.gz ZVQLERAQRHKYTJ-MRXNPFEDSA-N 1 0 287.407 2.015 10 0 CEAERO Cc1nnc(COc2cccc(C[NH2+]CC(C)C)c2)n1C ZINC000062731468 526348739 /nfs/dbraw/zinc/34/87/39/526348739.db2.gz OBGXAQJVDOCATL-UHFFFAOYSA-N 1 0 288.395 2.448 10 0 CEAERO c1ccc2c(c1)C[C@H](c1nnc(CC[NH2+]C3CC3)o1)O2 ZINC000050620437 526508418 /nfs/dbraw/zinc/50/84/18/526508418.db2.gz IBOLZPBWOGFQCE-CYBMUJFWSA-N 1 0 271.320 2.040 10 0 CEAERO O=C(CC[C@@H]1CCCC[NH2+]1)NCCc1ccc(F)cc1 ZINC000050939267 526546961 /nfs/dbraw/zinc/54/69/61/526546961.db2.gz RSASMYANRFTJNT-HNNXBMFYSA-N 1 0 278.371 2.407 10 0 CEAERO c1csc(CNC[C@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)n1 ZINC000049538979 526580293 /nfs/dbraw/zinc/58/02/93/526580293.db2.gz DYSCUZSGHFZFDY-UTUOFQBUSA-N 1 0 251.399 2.153 10 0 CEAERO C[NH2+]Cc1c(Cl)cccc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090906730 536469047 /nfs/dbraw/zinc/46/90/47/536469047.db2.gz BKHDWLYOGOBBFU-PHIMTYICSA-N 1 0 266.772 2.427 10 0 CEAERO NC(=[NH2+])c1cc(COc2ccc(F)c(F)c2)ccn1 ZINC000068762570 526818850 /nfs/dbraw/zinc/81/88/50/526818850.db2.gz QSNZAMCMFKZULP-UHFFFAOYSA-N 1 0 263.247 2.223 10 0 CEAERO NC(=[NH2+])c1cc(Cl)ccc1N1CCSCC1 ZINC000052860011 526821124 /nfs/dbraw/zinc/82/11/24/526821124.db2.gz DWZXVGUMQSJKPC-UHFFFAOYSA-N 1 0 255.774 2.177 10 0 CEAERO NC(=[NH2+])c1cccc(CSc2nnc3ccccn32)c1 ZINC000061406843 526823939 /nfs/dbraw/zinc/82/39/39/526823939.db2.gz XGTCWNMESIOIOU-UHFFFAOYSA-N 1 0 283.360 2.306 10 0 CEAERO O=C(COCC[C@@H]1CCC[NH2+]C1)Nc1cccc(F)c1 ZINC000051917679 526931801 /nfs/dbraw/zinc/93/18/01/526931801.db2.gz LMZATLKIRJOPPK-LBPRGKRZSA-N 1 0 280.343 2.171 10 0 CEAERO Cc1nc(N(C)C)nc(C)c1[C@H](C)C[NH2+]C(C)C ZINC000054854997 526949151 /nfs/dbraw/zinc/94/91/51/526949151.db2.gz UGSDTIYMZICYOG-SNVBAGLBSA-N 1 0 250.390 2.261 10 0 CEAERO Cc1nc(N(C)CC(F)(F)F)sc1[C@@H](C)[NH3+] ZINC000054896123 526950449 /nfs/dbraw/zinc/95/04/49/526950449.db2.gz GQPVNGNNQQASOZ-RXMQYKEDSA-N 1 0 253.293 2.470 10 0 CEAERO Cc1nc(N2C[C@H](C)OC[C@@H]2C)sc1C[NH2+]C1CC1 ZINC000054997266 526973632 /nfs/dbraw/zinc/97/36/32/526973632.db2.gz PHSFJTIQHGNIRK-UWVGGRQHSA-N 1 0 281.425 2.317 10 0 CEAERO O=C1CCc2cc(F)ccc2N1CCC[NH2+]C1CC1 ZINC000048785151 526997169 /nfs/dbraw/zinc/99/71/69/526997169.db2.gz WEVCNWIENMGYFL-UHFFFAOYSA-N 1 0 262.328 2.247 10 0 CEAERO C[C@H]1CC[C@H](NC(=O)NC(C)(C)CCC[NH3+])CC1 ZINC000417556980 527011613 /nfs/dbraw/zinc/01/16/13/527011613.db2.gz QBMSEAFBCWKNSY-HAQNSBGRSA-N 1 0 255.406 2.382 10 0 CEAERO O=C1C[C@@H]([NH2+]C[C@@H]2CC=CCC2)C(=O)N1C1CCCCC1 ZINC000045629442 527020323 /nfs/dbraw/zinc/02/03/23/527020323.db2.gz PUJURGZFEXZSJM-UKRRQHHQSA-N 1 0 290.407 2.393 10 0 CEAERO NC(=O)c1ccc(N2C[C@@H]3C[C@H]([NH3+])CC[C@@H]3C2)c(Cl)c1 ZINC000062791292 527059400 /nfs/dbraw/zinc/05/94/00/527059400.db2.gz GNYJYGVKWOEVCC-GRYCIOLGSA-N 1 0 293.798 2.003 10 0 CEAERO Cn1c(Cl)cnc1COc1ccc2c(c1)OC[C@H]2[NH3+] ZINC000062803580 527071080 /nfs/dbraw/zinc/07/10/80/527071080.db2.gz VOUXAUOUTALXQM-SNVBAGLBSA-N 1 0 279.727 2.045 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)N1CCC[C@H]1c1cccnc1 ZINC000054306164 527119315 /nfs/dbraw/zinc/11/93/15/527119315.db2.gz HZRJUQAMBBYOCO-ZFWWWQNUSA-N 1 0 273.380 2.135 10 0 CEAERO NC(=S)c1ccc(N[C@@H]2C[NH+]3CCC2CC3)c(Cl)c1 ZINC000062795154 527119854 /nfs/dbraw/zinc/11/98/54/527119854.db2.gz OWEHMQKNRXWPQB-CYBMUJFWSA-N 1 0 295.839 2.480 10 0 CEAERO [NH3+]C1CCC(CCC(=O)N2CCO[C@H]3CCC[C@@H]32)CC1 ZINC000055137672 527139056 /nfs/dbraw/zinc/13/90/56/527139056.db2.gz IHOVKRVEQLEAQV-WUCCLRPBSA-N 1 0 280.412 2.064 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1c(F)cccc1F ZINC000054290633 527167607 /nfs/dbraw/zinc/16/76/07/527167607.db2.gz PRYRLYXIDCIYIX-SECBINFHSA-N 1 0 254.280 2.293 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)N[C@H]1CCOc2ccccc21 ZINC000054292908 527168144 /nfs/dbraw/zinc/16/81/44/527168144.db2.gz SDXBQHYFZNBUSS-OCCSQVGLSA-N 1 0 274.364 2.016 10 0 CEAERO [NH3+]CCCCOc1cccc(I)c1 ZINC000052696486 527177283 /nfs/dbraw/zinc/17/72/83/527177283.db2.gz PUSWQFLJLQFWMR-UHFFFAOYSA-N 1 0 291.132 2.409 10 0 CEAERO [NH3+]CCCOCCOc1ccc(Br)cc1 ZINC000051865308 527182122 /nfs/dbraw/zinc/18/21/22/527182122.db2.gz FCQYSKKWMHOBOV-UHFFFAOYSA-N 1 0 274.158 2.193 10 0 CEAERO [NH3+]CC[C@@H]1CCC[C@H](C(=O)NCC2CCCC2)C1 ZINC000055147076 527192945 /nfs/dbraw/zinc/19/29/45/527192945.db2.gz HUEYQKSORJERCW-JSGCOSHPSA-N 1 0 252.402 2.448 10 0 CEAERO [NH3+]C[C@@H](c1ccccn1)n1cc(-c2ccccc2)cn1 ZINC000054960788 527207474 /nfs/dbraw/zinc/20/74/74/527207474.db2.gz IUGXPFOZSADKOH-INIZCTEOSA-N 1 0 264.332 2.493 10 0 CEAERO [NH3+]C[C@@H](c1ccccc1C(F)(F)F)N1CCCOCC1 ZINC000061916666 527207585 /nfs/dbraw/zinc/20/75/85/527207585.db2.gz BJGCNNGVKBFZJS-ZDUSSCGKSA-N 1 0 288.313 2.428 10 0 CEAERO [NH3+]C[C@@H]1CCN(Cc2nc(Cl)ccc2Cl)C1 ZINC000061630488 527217700 /nfs/dbraw/zinc/21/77/00/527217700.db2.gz MELNITINFPMBIJ-QMMMGPOBSA-N 1 0 260.168 2.169 10 0 CEAERO [NH3+]C[C@@H]1CC[C@H](COCc2ccccc2Cl)O1 ZINC000052623076 527219246 /nfs/dbraw/zinc/21/92/46/527219246.db2.gz MCLIQPLHDOYBHW-NWDGAFQWSA-N 1 0 255.745 2.363 10 0 CEAERO [NH3+]C[C@H](Cc1ccc(F)cc1F)C(=O)N1CCCCC1 ZINC000050304944 527225325 /nfs/dbraw/zinc/22/53/25/527225325.db2.gz HUJGGPFUFKTHBG-LBPRGKRZSA-N 1 0 282.334 2.095 10 0 CEAERO Cn1cc(C[C@@H]([NH3+])c2cc(F)c(F)c(F)c2)cn1 ZINC000050543168 527229710 /nfs/dbraw/zinc/22/97/10/527229710.db2.gz LTBVOWXOARQWPQ-LLVKDONJSA-N 1 0 255.243 2.080 10 0 CEAERO [NH3+]C[C@H](c1ccc2ncccc2c1)N1CCSCC1 ZINC000069502294 527230521 /nfs/dbraw/zinc/23/05/21/527230521.db2.gz KFJAOUMSQKJCAO-OAHLLOKOSA-N 1 0 273.405 2.283 10 0 CEAERO [NH3+]C[C@]1(N2CCN(c3ccccc3)CC2)CCCSC1 ZINC000061589921 527243172 /nfs/dbraw/zinc/24/31/72/527243172.db2.gz JXPPDEOTUFKEFD-MRXNPFEDSA-N 1 0 291.464 2.033 10 0 CEAERO [NH3+]C[C@]1(c2ccc(F)cc2)COc2ccccc2N1 ZINC000062714086 527243249 /nfs/dbraw/zinc/24/32/49/527243249.db2.gz RKNBICKZQOXEEL-OAHLLOKOSA-N 1 0 258.296 2.484 10 0 CEAERO [NH3+]Cc1ccc(F)cc1CN1C(=O)COc2ccccc21 ZINC000069401941 527254712 /nfs/dbraw/zinc/25/47/12/527254712.db2.gz TZPLUUFUEMNYCT-UHFFFAOYSA-N 1 0 286.306 2.210 10 0 CEAERO [NH3+]Cc1ccc(NC(=O)c2ccc3nccnc3c2)cc1 ZINC000061410245 527255639 /nfs/dbraw/zinc/25/56/39/527255639.db2.gz PRRZDZWAFBHAJC-UHFFFAOYSA-N 1 0 278.315 2.341 10 0 CEAERO [NH3+]Cc1ccc(Sc2nnc3ccccn32)c(F)c1 ZINC000061407111 527257556 /nfs/dbraw/zinc/25/75/56/527257556.db2.gz JSKVJZDAVPFJNQ-UHFFFAOYSA-N 1 0 274.324 2.478 10 0 CEAERO [NH3+]Cc1ccc(O[C@@H]2CCOC2)c(C(F)(F)F)c1 ZINC000070072021 527257778 /nfs/dbraw/zinc/25/77/78/527257778.db2.gz KIMAMUBPCIZPRR-SECBINFHSA-N 1 0 261.243 2.332 10 0 CEAERO [NH3+]Cc1cnn([C@H]2CCC[C@H]2O)c1-c1ccccc1 ZINC000054599538 527264363 /nfs/dbraw/zinc/26/43/63/527264363.db2.gz DHAZBXXNTMIUCG-UONOGXRCSA-N 1 0 257.337 2.095 10 0 CEAERO [NH3+]Cc1cnn([C@@H]2CCC[C@@H]2O)c1-c1ccccc1 ZINC000054599535 527264608 /nfs/dbraw/zinc/26/46/08/527264608.db2.gz DHAZBXXNTMIUCG-KGLIPLIRSA-N 1 0 257.337 2.095 10 0 CEAERO [NH3+]Cc1ncccc1CN(Cc1ccco1)C1CC1 ZINC000061656850 527265681 /nfs/dbraw/zinc/26/56/81/527265681.db2.gz YBULKKKENVARFS-UHFFFAOYSA-N 1 0 257.337 2.298 10 0 CEAERO NNc1cc(C(=O)N[C@@H]2CCCc3sccc32)cc[nH+]1 ZINC000061374243 527273285 /nfs/dbraw/zinc/27/32/85/527273285.db2.gz BNLWZACLIJGLTC-LLVKDONJSA-N 1 0 288.376 2.236 10 0 CEAERO NNc1ccc(Cl)c(CN2CCCCCCC2=O)[nH+]1 ZINC000061639244 527280153 /nfs/dbraw/zinc/28/01/53/527280153.db2.gz KPQYBFTWXISORJ-UHFFFAOYSA-N 1 0 282.775 2.313 10 0 CEAERO [NH3+][C@H](CCN1CCSCC1)c1ccccc1F ZINC000053977840 527385107 /nfs/dbraw/zinc/38/51/07/527385107.db2.gz CSXPUAZICJUHQG-CYBMUJFWSA-N 1 0 254.374 2.264 10 0 CEAERO [NH3+][C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1COCCO1 ZINC000055299128 527391106 /nfs/dbraw/zinc/39/11/06/527391106.db2.gz GBANYBUJRQHRND-WDEREUQCSA-N 1 0 262.136 2.409 10 0 CEAERO [NH3+][C@H]1COc2cc(OCc3nccn3C(F)F)ccc21 ZINC000062803577 527417530 /nfs/dbraw/zinc/41/75/30/527417530.db2.gz MVNPPYBCYKRJFW-JTQLQIEISA-N 1 0 281.262 2.249 10 0 CEAERO Cn1ccnc1[C@@H]([NH3+])Cc1ccccc1Br ZINC000069029870 527451067 /nfs/dbraw/zinc/45/10/67/527451067.db2.gz ACZMPFXCTARHGO-NSHDSACASA-N 1 0 280.169 2.425 10 0 CEAERO O=c1c2ccccc2ncn1CC[NH2+]CCc1ccsc1 ZINC000053526046 527467472 /nfs/dbraw/zinc/46/74/72/527467472.db2.gz XBOQCKXSEKSVGD-UHFFFAOYSA-N 1 0 299.399 2.290 10 0 CEAERO OCCC[C@@H]1CCC[N@@H+]1Cc1cccnc1Cl ZINC000052759550 527545303 /nfs/dbraw/zinc/54/53/03/527545303.db2.gz OKIWEZLXXQBSCL-LBPRGKRZSA-N 1 0 254.761 2.472 10 0 CEAERO OCCn1cc(C[NH2+][C@@H]2CCCC[C@H]2C(F)(F)F)cn1 ZINC000068691068 527575683 /nfs/dbraw/zinc/57/56/83/527575683.db2.gz XPCSPBURWFMRCK-VXGBXAGGSA-N 1 0 291.317 2.086 10 0 CEAERO OCCn1cc(C[NH2+][C@H]2CCCc3ccccc32)cn1 ZINC000068690581 527576129 /nfs/dbraw/zinc/57/61/29/527576129.db2.gz LLJDRTJZWHXPHC-INIZCTEOSA-N 1 0 271.364 2.043 10 0 CEAERO OC[C@@H]([NH2+]C[C@@H]1CCCO1)c1ccc2ncccc2c1 ZINC000069504741 527582141 /nfs/dbraw/zinc/58/21/41/527582141.db2.gz JOFXRCZPDMSJSX-GOEBONIOSA-N 1 0 272.348 2.037 10 0 CEAERO OCc1cccnc1O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061702237 527637826 /nfs/dbraw/zinc/63/78/26/527637826.db2.gz CMLLWKPBXNIYMQ-MRXNPFEDSA-N 1 0 284.359 2.227 10 0 CEAERO CC(C)CC[NH2+]CCOc1ccc(S(C)(=O)=O)cc1 ZINC000053589093 527741894 /nfs/dbraw/zinc/74/18/94/527741894.db2.gz ZIRBHDVXOIGCBQ-UHFFFAOYSA-N 1 0 285.409 2.105 10 0 CEAERO CCN(CC)c1ccc(N[C@H](C)[C@H]2CC[NH2+]C2)cn1 ZINC000400332061 528313922 /nfs/dbraw/zinc/31/39/22/528313922.db2.gz FCNBOKSSNCDYFJ-OLZOCXBDSA-N 1 0 262.401 2.338 10 0 CEAERO CCOCC[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000093315862 528714798 /nfs/dbraw/zinc/71/47/98/528714798.db2.gz YESRTRLRHDCYGZ-UONOGXRCSA-N 1 0 278.396 2.221 10 0 CEAERO CCC(O)(CC)C[NH+]1CCN(c2ccccc2OC)CC1 ZINC000165198245 528966016 /nfs/dbraw/zinc/96/60/16/528966016.db2.gz PAFZLEKTGJDVIA-UHFFFAOYSA-N 1 0 292.423 2.368 10 0 CEAERO CCC[NH2+][C@@H]1CCN(Cc2ncnn2C)c2ccccc21 ZINC000088571487 535187699 /nfs/dbraw/zinc/18/76/99/535187699.db2.gz MABCOMOAAJYJQK-CQSZACIVSA-N 1 0 285.395 2.266 10 0 CEAERO CC[NH2+]CC1CCN(c2cc(OCC)nc(C)n2)CC1 ZINC000090788119 535461420 /nfs/dbraw/zinc/46/14/20/535461420.db2.gz FBSRMDBBMSOFHN-UHFFFAOYSA-N 1 0 278.400 2.010 10 0 CEAERO CC[NH2+]Cc1cc(N2CCOCC2)c2ccccc2n1 ZINC000109587113 535478795 /nfs/dbraw/zinc/47/87/95/535478795.db2.gz NYENATKWOQOSMS-UHFFFAOYSA-N 1 0 271.364 2.181 10 0 CEAERO CCOCCCOc1ccccc1N1CCC([NH3+])CC1 ZINC000087326254 535553291 /nfs/dbraw/zinc/55/32/91/535553291.db2.gz SAWUNPFGDIOQES-UHFFFAOYSA-N 1 0 278.396 2.420 10 0 CEAERO C[NH2+][C@@H]1CCN(C(=O)c2cc(C)nn2C)c2ccccc21 ZINC000090120311 536373665 /nfs/dbraw/zinc/37/36/65/536373665.db2.gz WESJKCGWGGODMP-CYBMUJFWSA-N 1 0 284.363 2.040 10 0 CEAERO C[NH2+][C@H](C)[C@@H]1CCCN(c2cnc3ccccc3n2)C1 ZINC000111716762 536405738 /nfs/dbraw/zinc/40/57/38/536405738.db2.gz XKVJEICLQFBPCH-CHWSQXEVSA-N 1 0 270.380 2.454 10 0 CEAERO COC(=O)c1ccc(N2CCC[C@@H](CC[NH3+])C2)c(F)c1F ZINC000094272162 536733015 /nfs/dbraw/zinc/73/30/15/536733015.db2.gz PKQKVTWWSQLTPR-JTQLQIEISA-N 1 0 298.333 2.317 10 0 CEAERO COC(=O)c1ccc(N2C[C@H](C[NH3+])CC[C@@H]2C)c(F)c1F ZINC000094272182 536739278 /nfs/dbraw/zinc/73/92/78/536739278.db2.gz YHQGKWLIAYYZGS-UWVGGRQHSA-N 1 0 298.333 2.315 10 0 CEAERO COc1ccc2c(c1)CCCN2C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089459860 536969471 /nfs/dbraw/zinc/96/94/71/536969471.db2.gz ZOVUYBXBECIUEW-UKRRQHHQSA-N 1 0 288.391 2.349 10 0 CEAERO CC[NH+](CC)[C@@H](C)CNC(=O)CCCc1cccnc1 ZINC000062348049 538753369 /nfs/dbraw/zinc/75/33/69/538753369.db2.gz VPUCWHXCHSPXBD-AWEZNQCLSA-N 1 0 277.412 2.251 10 0 CEAERO C[C@H](Cc1ccc(O)cc1)[N@H+](C)C[C@@H]1CCCN1C ZINC000211686185 538809371 /nfs/dbraw/zinc/80/93/71/538809371.db2.gz FLQROAJTXBVCQU-HIFRSBDPSA-N 1 0 262.397 2.349 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCCc1ccc(Cl)s1 ZINC000227423788 538834079 /nfs/dbraw/zinc/83/40/79/538834079.db2.gz ZYVPENQOBMQJPZ-KOLCDFICSA-N 1 0 286.828 2.435 10 0 CEAERO C[C@H](NC(=O)[C@]1(C)CCC[NH2+]1)c1cc(F)ccc1F ZINC000079512995 538890695 /nfs/dbraw/zinc/89/06/95/538890695.db2.gz CFCYQXYZGZWMKD-XPTSAGLGSA-N 1 0 268.307 2.284 10 0 CEAERO CCC[C@]1(C[NH3+])CN(C(=O)[C@H](C)C(C)(C)C)CCO1 ZINC000675059497 570365675 /nfs/dbraw/zinc/36/56/75/570365675.db2.gz QGWIDOXAAFRQLF-WFASDCNBSA-N 1 0 270.417 2.025 10 0 CEAERO CCCCNC(=O)N([C@@H](CC[NH3+])C(F)(F)F)C1CC1 ZINC000675059613 570365705 /nfs/dbraw/zinc/36/57/05/570365705.db2.gz SKURQWGFYZSPBK-JTQLQIEISA-N 1 0 281.322 2.240 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C)C1 ZINC000229021002 574437674 /nfs/dbraw/zinc/43/76/74/574437674.db2.gz FNWLBRZKMAOUOC-BYNSBNAKSA-N 1 0 254.418 2.121 10 0 CEAERO Cc1ccc([C@H]2C[NH2+]C[C@@H]2C(=O)OC(C)(C)C)nc1 ZINC000757191209 574512035 /nfs/dbraw/zinc/51/20/35/574512035.db2.gz RZODTMFXOYZCEF-RYUDHWBXSA-N 1 0 262.353 2.035 10 0 CEAERO [NH3+]C[C@]12CCC[C@H]1CN(c1ccncc1Br)C2 ZINC000310272208 574802464 /nfs/dbraw/zinc/80/24/64/574802464.db2.gz TVZHPFOFNQZSPT-GWCFXTLKSA-N 1 0 296.212 2.409 10 0 CEAERO c1cc2c(s1)CCO[C@H]2C[NH2+][C@H]1CCSC1 ZINC000309647115 625228419 /nfs/dbraw/zinc/22/84/19/625228419.db2.gz WHWGGXIXIZGZOS-ONGXEEELSA-N 1 0 255.408 2.457 10 0 CEAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(C)(C)F ZINC000309764025 625311980 /nfs/dbraw/zinc/31/19/80/625311980.db2.gz YXRHYQPIZCWTGL-LBPRGKRZSA-N 1 0 266.360 2.371 10 0 CEAERO COc1cc(-c2cnn(CC[NH3+])c2)ccc1Cl ZINC000310323529 625479184 /nfs/dbraw/zinc/47/91/84/625479184.db2.gz YAODWSHRRZQOCO-UHFFFAOYSA-N 1 0 251.717 2.171 10 0 CEAERO COc1ccc(OCC(=O)O[C@H](C)C[NH+]2CCCC2)cc1 ZINC000000525008 622547752 /nfs/dbraw/zinc/54/77/52/622547752.db2.gz FMDGVXCYNVORGD-CYBMUJFWSA-N 1 0 293.363 2.102 10 0 CEAERO CCC(CC)[C@H]([NH3+])CS(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000757147526 622916608 /nfs/dbraw/zinc/91/66/08/622916608.db2.gz CKPRFMIMPZCHSH-SGMGOOAPSA-N 1 0 290.473 2.058 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cn1cnc(-c2ccccc2)n1 ZINC000177157072 625618560 /nfs/dbraw/zinc/61/85/60/625618560.db2.gz DOQSKCSFXNRSLF-INIZCTEOSA-N 1 0 299.422 2.319 10 0 CEAERO C[NH2+][C@@H]1CCCN(c2cc(C(F)(F)F)ccn2)C1 ZINC000090803855 623116315 /nfs/dbraw/zinc/11/63/15/623116315.db2.gz MNXWVZSFMNEKDE-SNVBAGLBSA-N 1 0 259.275 2.289 10 0 CEAERO C[C@H](NC(=O)[C@@H]1[NH2+]CCCC1(C)C)C1CCCC1 ZINC000235519477 625624111 /nfs/dbraw/zinc/62/41/11/625624111.db2.gz SWXFWKNRKYKFRT-AAEUAGOBSA-N 1 0 252.402 2.460 10 0 CEAERO CCc1cnc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2CC)o1 ZINC000221100776 623371420 /nfs/dbraw/zinc/37/14/20/623371420.db2.gz FOMMFQGMSHFTET-QWHCGFSZSA-N 1 0 263.385 2.296 10 0 CEAERO c1ccc2sc(N3CC[C@@]4(CC[NH2+]C4)C3)nc2c1 ZINC000261555045 623375690 /nfs/dbraw/zinc/37/56/90/623375690.db2.gz BFHWHIKVIYIYDQ-CQSZACIVSA-N 1 0 259.378 2.486 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1csc2ccccc12 ZINC000261559968 623378429 /nfs/dbraw/zinc/37/84/29/623378429.db2.gz DXNRPNVHTLNNQQ-BXKDBHETSA-N 1 0 260.362 2.463 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)c1cc(C(C)C)n(C(C)(C)C)n1 ZINC000261859328 623498586 /nfs/dbraw/zinc/49/85/86/623498586.db2.gz YGMGBILAJDGYIV-NSHDSACASA-N 1 0 280.416 2.099 10 0 CEAERO Cc1c(C[NH2+][C@@H](Cn2ccnc2)C(C)(C)C)cnn1C ZINC000093649965 623683107 /nfs/dbraw/zinc/68/31/07/623683107.db2.gz QCYVAPFWMPTZEL-AWEZNQCLSA-N 1 0 275.400 2.130 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)Nc1cccc(F)c1 ZINC000061884451 623694920 /nfs/dbraw/zinc/69/49/20/623694920.db2.gz VQUWSXXYAWSHIY-JOYOIKCWSA-N 1 0 251.305 2.075 10 0 CEAERO CC(C)[NH2+]Cc1cnn(-c2ccc(Cl)cc2)n1 ZINC000051174668 623699239 /nfs/dbraw/zinc/69/92/39/623699239.db2.gz PMSAFBONDFYXTL-UHFFFAOYSA-N 1 0 250.733 2.419 10 0 CEAERO C[NH2+]CCc1noc(Cc2ccc(Cl)cc2)n1 ZINC000051850853 624624616 /nfs/dbraw/zinc/62/46/16/624624616.db2.gz SXRZRUURGQIGGP-UHFFFAOYSA-N 1 0 251.717 2.076 10 0 CEAERO COC[C@H]([NH3+])C(=O)N[C@@H](C)c1cc(Cl)ccc1Cl ZINC000262278698 624904594 /nfs/dbraw/zinc/90/45/94/624904594.db2.gz LJQNFMKFCQYSAE-CPCISQLKSA-N 1 0 291.178 2.144 10 0 CEAERO C[NH2+]CCc1noc(-c2cccc(Cl)c2F)n1 ZINC000131187488 625001332 /nfs/dbraw/zinc/00/13/32/625001332.db2.gz VSNKQHMAXZUROS-UHFFFAOYSA-N 1 0 255.680 2.291 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)[C@@H]2C[NH2+]C[C@H]2C)c(C)c1 ZINC000235297426 625260007 /nfs/dbraw/zinc/26/00/07/625260007.db2.gz JJMZPVBZBFRCTL-UMVBOHGHSA-N 1 0 260.381 2.336 10 0 CEAERO [NH3+][C@@H](CC1CC1)C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000311351325 627642526 /nfs/dbraw/zinc/64/25/26/627642526.db2.gz LZOQBZDPXCTVFH-ILDUYXDCSA-N 1 0 278.318 2.351 10 0 CEAERO Cc1cc2c(ncnc2N2CC[C@H]3[NH2+]CC[C@H]3C2)s1 ZINC000311698462 627691194 /nfs/dbraw/zinc/69/11/94/627691194.db2.gz LRHUSSLYGIMRDB-CMPLNLGQSA-N 1 0 274.393 2.188 10 0 CEAERO [NH3+][C@@H](CC1CC1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000311817061 627701395 /nfs/dbraw/zinc/70/13/95/627701395.db2.gz JJANJDZGALBCMU-LSDHHAIUSA-N 1 0 258.365 2.308 10 0 CEAERO CON(C)C(=O)C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000309862913 628069421 /nfs/dbraw/zinc/06/94/21/628069421.db2.gz NJTWTMKAXNHVEP-SSDOTTSWSA-N 1 0 262.762 2.072 10 0 CEAERO C[C@@H]1CN(Cc2cccc3c2NCCC3)C[C@H]1[NH+](C)C ZINC000312461437 628275146 /nfs/dbraw/zinc/27/51/46/628275146.db2.gz FGPQHZISHUHEDF-CZUORRHYSA-N 1 0 273.424 2.427 10 0 CEAERO C[C@H](CC[NH2+][C@H]1COCC1(C)C)NC(=O)OC(C)(C)C ZINC000312982091 628571468 /nfs/dbraw/zinc/57/14/68/628571468.db2.gz QUKWJEOOMFFWAK-NEPJUHHUSA-N 1 0 286.416 2.304 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N(C)c1ccc(OC)c(F)c1 ZINC000236941533 628741772 /nfs/dbraw/zinc/74/17/72/628741772.db2.gz UXCOHZRKKIWAHL-NOZJJQNGSA-N 1 0 268.332 2.171 10 0 CEAERO OCCN1CCC([NH2+][C@@H](c2ccccc2)C2CC2)CC1 ZINC000399127900 628777341 /nfs/dbraw/zinc/77/73/41/628777341.db2.gz UIXRQRGFPZFSTE-KRWDZBQOSA-N 1 0 274.408 2.184 10 0 CEAERO Clc1ccc(CCN[C@@H]2CC[NH2+]C2)cc1Cl ZINC000259192992 628795509 /nfs/dbraw/zinc/79/55/09/628795509.db2.gz WOXYGXLSPZXULR-SNVBAGLBSA-N 1 0 259.180 2.487 10 0 CEAERO CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)[N@H+](CC2(OC)CCC2)C1 ZINC000888102583 628871897 /nfs/dbraw/zinc/87/18/97/628871897.db2.gz BMGGVWWZCQYVGS-KGLIPLIRSA-N 1 0 293.411 2.357 10 0 CEAERO C[NH2+][C@H]1CCCN(c2ccnc(-c3ccccc3)n2)C1 ZINC000261562473 628938555 /nfs/dbraw/zinc/93/85/55/628938555.db2.gz TZDBWZYATIGGMY-AWEZNQCLSA-N 1 0 268.364 2.332 10 0 CEAERO Brc1ccc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)nc1 ZINC000261593367 628942706 /nfs/dbraw/zinc/94/27/06/628942706.db2.gz WSGKUICVJRINNV-MWLCHTKSSA-N 1 0 282.185 2.032 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)CO[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000261683160 628987897 /nfs/dbraw/zinc/98/78/97/628987897.db2.gz HVEUHARJCDVANN-LJISPDSOSA-N 1 0 284.444 2.188 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)c1cc(-c2cccc(Cl)c2)no1 ZINC000261697241 629099352 /nfs/dbraw/zinc/09/93/52/629099352.db2.gz IWZUIHOQYDEHEI-SECBINFHSA-N 1 0 293.754 2.333 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)Cc1cc(F)c(F)c(F)c1 ZINC000237036711 629170569 /nfs/dbraw/zinc/17/05/69/629170569.db2.gz ORTQZYDCOIFFGG-ISVAXAHUSA-N 1 0 288.313 2.436 10 0 CEAERO O=C(CCCc1ccccc1)N[C@H]1C[NH+]2CCC1CC2 ZINC000222592464 629184136 /nfs/dbraw/zinc/18/41/36/629184136.db2.gz OVCVPIKTHDYKLR-INIZCTEOSA-N 1 0 272.392 2.220 10 0 CEAERO O=C(CC[C@H]1CCC[NH2+]1)Nc1ccc(Cn2cccn2)cc1 ZINC000262553472 631124800 /nfs/dbraw/zinc/12/48/00/631124800.db2.gz SVHCTFFRXGRFLW-OAHLLOKOSA-N 1 0 298.390 2.402 10 0 CEAERO CC[C@H](Oc1ccccc1F)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000248875455 631432966 /nfs/dbraw/zinc/43/29/66/631432966.db2.gz QPDXKHMPNNWKKW-YUTCNCBUSA-N 1 0 294.370 2.240 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)c1ccccc1NC(=O)C(C)(C)C ZINC000261671700 631691822 /nfs/dbraw/zinc/69/18/22/631691822.db2.gz GTCJMKLMJCQUQA-NSHDSACASA-N 1 0 291.395 2.009 10 0 CEAERO C[NH2+][C@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000055421495 639363083 /nfs/dbraw/zinc/36/30/83/639363083.db2.gz YGXDGWIEPDKOMA-GFCCVEGCSA-N 1 0 261.369 2.223 10 0 CEAERO CCCOc1ccnc(N[C@@H](C)[C@H]2CCC[NH2+]C2)n1 ZINC000164787395 639395092 /nfs/dbraw/zinc/39/50/92/639395092.db2.gz ZNLIXZOSJRXPRS-RYUDHWBXSA-N 1 0 264.373 2.065 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1Nc1ccc(C(F)(F)F)nn1 ZINC000167120303 639508426 /nfs/dbraw/zinc/50/84/26/639508426.db2.gz UVJRFHSKZYKDAO-SFYZADRCSA-N 1 0 260.263 2.035 10 0 CEAERO CN1CCC[C@H]1C[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000226016545 639519093 /nfs/dbraw/zinc/51/90/93/639519093.db2.gz FZJIVXXITAPSLS-KBPBESRZSA-N 1 0 297.443 2.070 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC(CC)(CC)SC ZINC000226376014 639541286 /nfs/dbraw/zinc/54/12/86/639541286.db2.gz RPFKMVSDDBRPFP-GHMZBOCLSA-N 1 0 260.447 2.398 10 0 CEAERO CCCOc1ccnc(N2CCC(CC[NH2+]C)CC2)n1 ZINC000226655300 639561681 /nfs/dbraw/zinc/56/16/81/639561681.db2.gz RVCGJYFHKSFAOI-UHFFFAOYSA-N 1 0 278.400 2.091 10 0 CEAERO C/C=C(/C)C[N@@H+]1CC[C@@H](CNC(=O)CC2CC2)C1 ZINC000229548257 639707362 /nfs/dbraw/zinc/70/73/62/639707362.db2.gz RMHFLFAEAIKYLZ-DXCZGNEWSA-N 1 0 250.386 2.191 10 0 CEAERO CCCc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000061884196 639727531 /nfs/dbraw/zinc/72/75/31/639727531.db2.gz HHTOTOGHAFGZDM-UKRRQHHQSA-N 1 0 296.436 2.045 10 0 CEAERO CC(C)Cc1nnc(NC(=O)C[C@@H]([NH3+])C(C)(C)C)s1 ZINC000230294630 639753321 /nfs/dbraw/zinc/75/33/21/639753321.db2.gz BUZBOWRKCZXGGO-SECBINFHSA-N 1 0 284.429 2.439 10 0 CEAERO CN(Cc1ccnc(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000231669038 639870037 /nfs/dbraw/zinc/87/00/37/639870037.db2.gz LZNQVTVHYHJMMQ-GFCCVEGCSA-N 1 0 253.777 2.309 10 0 CEAERO Cc1nn(C)c(C[NH2+][C@H](C)[C@@H]2CCCO2)c1Cl ZINC000089231855 640195549 /nfs/dbraw/zinc/19/55/49/640195549.db2.gz BGFGNQCDTHBIFQ-KCJUWKMLSA-N 1 0 257.765 2.039 10 0 CEAERO COCC[N@@H+]1CCN(CCOc2ccccc2C)C[C@H]1C ZINC000105913926 640974947 /nfs/dbraw/zinc/97/49/47/640974947.db2.gz JLXVTZVGDOUTCJ-MRXNPFEDSA-N 1 0 292.423 2.026 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000182349299 641649334 /nfs/dbraw/zinc/64/93/34/641649334.db2.gz AMUOATQSRJQXFF-BDJLRTHQSA-N 1 0 290.407 2.261 10 0 CEAERO [NH3+][C@H]1CCC[C@H](C(=O)N(Cc2ccccn2)C2CC2)C1 ZINC000070576066 641684800 /nfs/dbraw/zinc/68/48/00/641684800.db2.gz QTZPVRMKHJHJMV-STQMWFEESA-N 1 0 273.380 2.090 10 0 CEAERO C[NH2+]C[C@@H]1CCN(c2ncnc3sc(C)c(C)c32)C1 ZINC000071148234 641728417 /nfs/dbraw/zinc/72/84/17/641728417.db2.gz GQXHVQVJZMUHJW-NSHDSACASA-N 1 0 276.409 2.354 10 0 CEAERO CC(=O)Oc1ccc(C[NH2+][C@@H](CO)c2ccccc2)cc1 ZINC000183671201 641777422 /nfs/dbraw/zinc/77/74/22/641777422.db2.gz VOIKMSSHFBGTJE-KRWDZBQOSA-N 1 0 285.343 2.435 10 0 CEAERO C[C@@H]1CCCN1c1nc(-c2cccnc2)nc2c1CC[NH2+]C2 ZINC000071753859 641804096 /nfs/dbraw/zinc/80/40/96/641804096.db2.gz XDVKQEANEDWRRX-GFCCVEGCSA-N 1 0 295.390 2.173 10 0 CEAERO c1nc2ccccn2c1C[NH2+]Cc1cnc2ccccn12 ZINC000073648000 642570039 /nfs/dbraw/zinc/57/00/39/642570039.db2.gz ABLJPTFQSDCKJF-UHFFFAOYSA-N 1 0 277.331 2.272 10 0 CEAERO C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)c1ccc2ccccc2c1 ZINC000109691473 642880245 /nfs/dbraw/zinc/88/02/45/642880245.db2.gz OUDPPZZGVHIUMT-IRXDYDNUSA-N 1 0 298.386 2.084 10 0 CEAERO CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCS2(=O)=O)cc1 ZINC000126970051 651039540 /nfs/dbraw/zinc/03/95/40/651039540.db2.gz VLOWJDVXZZZWED-DOMZBBRYSA-N 1 0 281.421 2.477 10 0 CEAERO C[C@@H](C[NH3+])c1noc(Cc2ccc(F)cc2F)n1 ZINC000123143563 648821213 /nfs/dbraw/zinc/82/12/13/648821213.db2.gz YYCAFDIDLLWSQH-ZETCQYMHSA-N 1 0 253.252 2.001 10 0 CEAERO COc1ccc(C)cc1[C@H](C)NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000123671348 649097580 /nfs/dbraw/zinc/09/75/80/649097580.db2.gz MBZVDDSXVAHGKK-SMDDNHRTSA-N 1 0 276.380 2.308 10 0 CEAERO COc1ccc(CN2CCCC[C@@H]2C[NH3+])cc1OC ZINC000019843319 649594801 /nfs/dbraw/zinc/59/48/01/649594801.db2.gz FWJVFCJRQKRFAH-CYBMUJFWSA-N 1 0 264.369 2.017 10 0 CEAERO CCOc1cncc(N[C@H](C[NH3+])C2CCCCC2)n1 ZINC000130843102 652348029 /nfs/dbraw/zinc/34/80/29/652348029.db2.gz YWNLTBHLPPKGNG-GFCCVEGCSA-N 1 0 264.373 2.195 10 0 CEAERO C[NH2+][C@H](CS(=O)(=O)C1CCCC1)c1ccc(OC)cc1 ZINC000081988068 177914354 /nfs/dbraw/zinc/91/43/54/177914354.db2.gz ITBOVAUBQBRTIJ-OAHLLOKOSA-N 1 0 297.420 2.313 10 0 CEAERO CC[NH2+][C@H](CC)C[S@@](=O)c1ccccc1OC ZINC000081999829 177916917 /nfs/dbraw/zinc/91/69/17/177916917.db2.gz MOAYFPVZMRGLPV-DIFFPNOSSA-N 1 0 255.383 2.191 10 0 CEAERO CC(C)(CNC(=O)C[NH3+])c1ccc(Cl)cc1Cl ZINC000082254718 177928304 /nfs/dbraw/zinc/92/83/04/177928304.db2.gz OFOZPOYQENSCIC-UHFFFAOYSA-N 1 0 275.179 2.346 10 0 CEAERO COC(=O)c1ccc([C@H](C)N2C[C@H]([NH+](C)C)[C@@H](C)C2)o1 ZINC000124401119 187136096 /nfs/dbraw/zinc/13/60/96/187136096.db2.gz IVPCPACCIJGIMU-SRVKXCTJSA-N 1 0 280.368 2.009 10 0 CEAERO O[C@@H](C[C@@H]1CCC[N@@H+]1CCC1OCCO1)c1ccccc1 ZINC000124491266 187139487 /nfs/dbraw/zinc/13/94/87/187139487.db2.gz CNXBICPVWKULNQ-HOTGVXAUSA-N 1 0 291.391 2.338 10 0 CEAERO C[NH2+]Cc1sc(N2CCC(C)CC2)nc1COC ZINC000082447235 178025796 /nfs/dbraw/zinc/02/57/96/178025796.db2.gz OMPIPFJTQDWXQM-UHFFFAOYSA-N 1 0 269.414 2.245 10 0 CEAERO CN(C(=O)c1ccc(Cl)s1)[C@@H]1CCC[NH2+]C1 ZINC000082499340 178064438 /nfs/dbraw/zinc/06/44/38/178064438.db2.gz DRKMWZIIWCYHRG-MRVPVSSYSA-N 1 0 258.774 2.226 10 0 CEAERO CCCNC(=O)C[N@H+](C)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000121182999 365532658 /nfs/dbraw/zinc/53/26/58/365532658.db2.gz VJYYQSHGCGIRPZ-KGLIPLIRSA-N 1 0 282.428 2.182 10 0 CEAERO CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)NC(C)C)C12CCCC2 ZINC000121237072 365539395 /nfs/dbraw/zinc/53/93/95/365539395.db2.gz YGWSAIQYJGHULY-KGLIPLIRSA-N 1 0 282.428 2.181 10 0 CEAERO CC[C@@H](C)[NH2+]CCSc1nnc(N(C)C)s1 ZINC000082580227 178119105 /nfs/dbraw/zinc/11/91/05/178119105.db2.gz UPCBLZAKZPGAEO-MRVPVSSYSA-N 1 0 260.432 2.084 10 0 CEAERO C[C@@H]1C[C@@H]1CN(C)c1ncc(Br)cc1C[NH3+] ZINC000082650285 178141674 /nfs/dbraw/zinc/14/16/74/178141674.db2.gz OZFYHFJXKLJYGA-PSASIEDQSA-N 1 0 284.201 2.395 10 0 CEAERO [NH3+]Cc1cnn(-c2ccccc2F)c1C(F)(F)F ZINC000082661924 178150022 /nfs/dbraw/zinc/15/00/22/178150022.db2.gz YWCHFKYDKUYVQV-UHFFFAOYSA-N 1 0 259.206 2.489 10 0 CEAERO C[C@H]([NH3+])c1cnc2c(Br)cc(F)cn12 ZINC000082693656 178188421 /nfs/dbraw/zinc/18/84/21/178188421.db2.gz LASGPCAGRHGELM-YFKPBYRVSA-N 1 0 258.094 2.256 10 0 CEAERO CC(C)C[C@@H]([NH3+])c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000034939148 361798952 /nfs/dbraw/zinc/79/89/52/361798952.db2.gz VUGBMIFXEOZYHK-SECBINFHSA-N 1 0 261.325 2.380 10 0 CEAERO O=[S@@](CC[NH2+]C1CC1)c1ccccc1Br ZINC000082747344 178269417 /nfs/dbraw/zinc/26/94/17/178269417.db2.gz LQTNIVPZRSRDDU-OAHLLOKOSA-N 1 0 288.210 2.309 10 0 CEAERO CO[C@@H]1C[N@H+](Cc2ccccc2F)[C@@H]2CCCO[C@H]12 ZINC000096065906 185084169 /nfs/dbraw/zinc/08/41/69/185084169.db2.gz FJICGEZFGKRXPF-KFWWJZLASA-N 1 0 265.328 2.204 10 0 CEAERO CC[C@H](CC[NH3+])S(=O)(=O)c1ccc(Cl)cc1 ZINC000082789713 178294734 /nfs/dbraw/zinc/29/47/34/178294734.db2.gz JZZDKYDPXUXAJR-SNVBAGLBSA-N 1 0 261.774 2.241 10 0 CEAERO C[C@@H]([NH3+])[C@@H](CO)Sc1ccccc1Br ZINC000082987978 178332256 /nfs/dbraw/zinc/33/22/56/178332256.db2.gz TUNZOGTZZOCCOF-GMSGAONNSA-N 1 0 276.199 2.249 10 0 CEAERO C[C@H](O)CC[NH2+]CCOc1cccc(Br)c1 ZINC000082996659 178333146 /nfs/dbraw/zinc/33/31/46/178333146.db2.gz ORHXIULPKPMWKM-JTQLQIEISA-N 1 0 288.185 2.188 10 0 CEAERO [NH3+][C@@]1(Cc2cc(Br)cs2)CCOC1 ZINC000083186671 178352250 /nfs/dbraw/zinc/35/22/50/178352250.db2.gz PSPXRDANALHCTJ-SECBINFHSA-N 1 0 262.172 2.171 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](c2ccccc2Br)O1 ZINC000036673170 361850035 /nfs/dbraw/zinc/85/00/35/361850035.db2.gz CQFGVXSNTPGXLO-KCJUWKMLSA-N 1 0 256.143 2.499 10 0 CEAERO COc1cc(OC)c(C(C)(C)CC[NH3+])cc1OC ZINC000096889951 185123927 /nfs/dbraw/zinc/12/39/27/185123927.db2.gz YKDCOAAKLZVDNJ-UHFFFAOYSA-N 1 0 253.342 2.339 10 0 CEAERO C[C@@]1(c2cncn2CCc2ccsc2)CC[NH2+]C1 ZINC000097022211 185153490 /nfs/dbraw/zinc/15/34/90/185153490.db2.gz YASYUSWPKGEPNP-CQSZACIVSA-N 1 0 261.394 2.438 10 0 CEAERO CCCCN(CC(F)(F)F)C(=O)[C@@H]([NH3+])CCC ZINC000037812037 361948316 /nfs/dbraw/zinc/94/83/16/361948316.db2.gz WHXVIJPIRMBNQO-VIFPVBQESA-N 1 0 254.296 2.305 10 0 CEAERO CC1CCC(Nc2nc(N3CCCC3)nc(N)[nH+]2)CC1 ZINC000097030781 185154601 /nfs/dbraw/zinc/15/46/01/185154601.db2.gz ITEIODZBRLQTNL-UHFFFAOYSA-N 1 0 276.388 2.045 10 0 CEAERO CC[NH2+]Cc1cc2cc(OCC)ccc2n(C)c1=O ZINC000039288609 361987698 /nfs/dbraw/zinc/98/76/98/361987698.db2.gz KBWQXSZYGWOXPO-UHFFFAOYSA-N 1 0 260.337 2.047 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CCC[C@@H]2[NH3+])C1 ZINC000307067046 539169137 /nfs/dbraw/zinc/16/91/37/539169137.db2.gz VIKVXDCBECSADD-SRVKXCTJSA-N 1 0 254.374 2.371 10 0 CEAERO CC(C)[C@H](C)NC(=O)N[C@@H]1CC[NH2+]CC[C@@H]1C(F)(F)F ZINC000725262893 539211907 /nfs/dbraw/zinc/21/19/07/539211907.db2.gz QXJDKIQGELQBLB-GARJFASQSA-N 1 0 295.349 2.261 10 0 CEAERO O=C(CC1CC1)N1CCC[C@H]([C@@]23CC[C@@H]2CC[NH2+]3)C1 ZINC000725263579 539212065 /nfs/dbraw/zinc/21/20/65/539212065.db2.gz RXQGGVDMEBITLR-IJEWVQPXSA-N 1 0 262.397 2.167 10 0 CEAERO CC(C)[C@@H]1C[C@H]2CC[C@@H]([NH+]3CCOCC3)[C@@H](C1)C2=O ZINC000725268143 539214451 /nfs/dbraw/zinc/21/44/51/539214451.db2.gz BUZQEYQWPIFRQI-KBUPBQIOSA-N 1 0 265.397 2.349 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C2CCCCC2)C1 ZINC000247200216 282200040 /nfs/dbraw/zinc/20/00/40/282200040.db2.gz BULYPOHBAHCMLF-ILXRZTDVSA-N 1 0 264.413 2.365 10 0 CEAERO O[C@@H]1CC[C@@H]2C[N@H+](CCOCc3ccccc3)C[C@H]2C1 ZINC000398926907 539262842 /nfs/dbraw/zinc/26/28/42/539262842.db2.gz NHEGXVQDPZLGPL-BRWVUGGUSA-N 1 0 275.392 2.296 10 0 CEAERO C[C@@H]1CCCCC[C@@H]1[NH2+]C1CCN(CCO)CC1 ZINC000399178798 539263850 /nfs/dbraw/zinc/26/38/50/539263850.db2.gz KSTXQPHMMIAZTE-HIFRSBDPSA-N 1 0 254.418 2.002 10 0 CEAERO CCOc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CN(CC)CCO1 ZINC000223644414 539268615 /nfs/dbraw/zinc/26/86/15/539268615.db2.gz PUPBZGXJFQTVGN-HUUCEWRRSA-N 1 0 292.423 2.457 10 0 CEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cscc1Cl ZINC000309745985 539272951 /nfs/dbraw/zinc/27/29/51/539272951.db2.gz FPNCHMBQBWYXLZ-XVKPBYJWSA-N 1 0 258.774 2.158 10 0 CEAERO Cn1nc(C[NH2+][C@@H]2CCCCC[C@H]2O)c2ccccc21 ZINC000135720566 539288774 /nfs/dbraw/zinc/28/87/74/539288774.db2.gz NZXGORXLSKJVEJ-CZUORRHYSA-N 1 0 273.380 2.357 10 0 CEAERO C[C@H]1C[C@H]([NH2+]CCCn2ccnn2)CC(C)(C)C1 ZINC000126497537 187244158 /nfs/dbraw/zinc/24/41/58/187244158.db2.gz SKNITPBYTBJHHJ-STQMWFEESA-N 1 0 250.390 2.473 10 0 CEAERO CS[C@@H](C)C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000042853424 362124899 /nfs/dbraw/zinc/12/48/99/362124899.db2.gz BRKTYVYGLWAQDX-AAEUAGOBSA-N 1 0 266.410 2.157 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCCC[C@H](SC)C2)C1 ZINC000126629767 187252333 /nfs/dbraw/zinc/25/23/33/187252333.db2.gz JHDJORZKTGSKLZ-KGLIPLIRSA-N 1 0 299.484 2.398 10 0 CEAERO CCC(C)(C)[NH2+]C[C@@H](O)COC(=O)c1ccccc1F ZINC000025972206 343388363 /nfs/dbraw/zinc/38/83/63/343388363.db2.gz GEMZLPWAZAYNNW-LLVKDONJSA-N 1 0 283.343 2.122 10 0 CEAERO Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H](CO)CC(C)C ZINC000040777758 343438427 /nfs/dbraw/zinc/43/84/27/343438427.db2.gz VYOSLLHWEBVKCI-HZPDHXFCSA-N 1 0 295.423 2.040 10 0 CEAERO Cc1ccc(C[NH2+][C@@H]2CCCNC2=O)cc1Br ZINC000127895542 187339124 /nfs/dbraw/zinc/33/91/24/187339124.db2.gz KKTKPCZSRBVUSO-GFCCVEGCSA-N 1 0 297.196 2.126 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1CCCC[NH2+]1)c1cc(F)ccc1F ZINC000037007632 343425071 /nfs/dbraw/zinc/42/50/71/343425071.db2.gz XVTNCKBLUXLPMI-RNCFNFMXSA-N 1 0 268.307 2.284 10 0 CEAERO CSCC[C@H]([NH3+])C(=O)N[C@@H](C)c1cc(F)ccc1F ZINC000040462427 343437926 /nfs/dbraw/zinc/43/79/26/343437926.db2.gz OSBBTSOVHDAHGB-UFBFGSQYSA-N 1 0 288.363 2.222 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1C(=O)Cc1c[nH]c2ccccc12 ZINC000044541861 343474376 /nfs/dbraw/zinc/47/43/76/343474376.db2.gz BHFNPENUJARCGO-ZDUSSCGKSA-N 1 0 271.364 2.050 10 0 CEAERO CCc1cc2c(ncnc2N2CC[C@@H]([NH3+])[C@@H](C)C2)s1 ZINC000227076761 136387738 /nfs/dbraw/zinc/38/77/38/136387738.db2.gz ITEHECBAIXIKJK-JOYOIKCWSA-N 1 0 276.409 2.427 10 0 CEAERO O[C@@H](C[NH2+]CCc1ccsc1)COCc1ccco1 ZINC000049181158 343535124 /nfs/dbraw/zinc/53/51/24/343535124.db2.gz YYSGEOJBQTVWHG-ZDUSSCGKSA-N 1 0 281.377 2.051 10 0 CEAERO Cc1ncc(C[N@H+](C)C[C@@H](O)COC(C)(C)C)s1 ZINC000052101183 343556179 /nfs/dbraw/zinc/55/61/79/343556179.db2.gz VTSXIYVWPLSKQL-LLVKDONJSA-N 1 0 272.414 2.059 10 0 CEAERO OCCN1CCC([NH2+][C@@H]2CCCC[C@H]2C2CC2)CC1 ZINC000679577856 539330991 /nfs/dbraw/zinc/33/09/91/539330991.db2.gz WGZKVTWBDTZCTL-JKSUJKDBSA-N 1 0 266.429 2.002 10 0 CEAERO COc1ccc(OC)c(C[N@@H+]2CCC[C@H](O)[C@H]2C)c1 ZINC000295041988 199315709 /nfs/dbraw/zinc/31/57/09/199315709.db2.gz OUWIEAOGCQKFBE-RISCZKNCSA-N 1 0 265.353 2.049 10 0 CEAERO CC(C)(C)c1cc(NC(=O)C[C@H]2CCC[NH2+]C2)n[nH]1 ZINC000228347248 539337651 /nfs/dbraw/zinc/33/76/51/539337651.db2.gz QAYMURRCDKIAOH-SNVBAGLBSA-N 1 0 264.373 2.035 10 0 CEAERO CC1(C[NH2+]Cc2ccccc2N2CCCC2)COC1 ZINC000083523171 178559290 /nfs/dbraw/zinc/55/92/90/178559290.db2.gz DJIQKFUGRJEGDJ-UHFFFAOYSA-N 1 0 260.381 2.413 10 0 CEAERO O=C(N[C@@H]1CC[NH2+]C1)c1ccccc1COc1ccccc1 ZINC000126950827 187272788 /nfs/dbraw/zinc/27/27/88/187272788.db2.gz SZVFEMSLDGKKNY-OAHLLOKOSA-N 1 0 296.370 2.357 10 0 CEAERO CCc1ccccc1CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000084203213 344082463 /nfs/dbraw/zinc/08/24/63/344082463.db2.gz TVIRAALDLGUSSF-ZDUSSCGKSA-N 1 0 260.381 2.255 10 0 CEAERO Cc1ccc([C@@H](C)[NH2+]CCN2C(=O)CCC2=O)c(C)c1 ZINC000089683035 344127837 /nfs/dbraw/zinc/12/78/37/344127837.db2.gz OLLAVCLTLUIGAG-CYBMUJFWSA-N 1 0 274.364 2.103 10 0 CEAERO CC(C)(C)c1ncc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000049516063 362368808 /nfs/dbraw/zinc/36/88/08/362368808.db2.gz DBBFTKDCOPCKBC-NSHDSACASA-N 1 0 293.436 2.361 10 0 CEAERO O=C1c2ccccc2C(=O)N1Cc1ccc2c(c1)C[NH2+]C2 ZINC000097830220 344246201 /nfs/dbraw/zinc/24/62/01/344246201.db2.gz ASLHBQJDMPLWAN-UHFFFAOYSA-N 1 0 278.311 2.086 10 0 CEAERO COC(=O)c1csc(C[N@@H+]2CCC[C@@H]2CCCO)c1 ZINC000602461119 347042070 /nfs/dbraw/zinc/04/20/70/347042070.db2.gz BDFVZBIPGMAVPB-GFCCVEGCSA-N 1 0 283.393 2.272 10 0 CEAERO CCOC(=O)c1ccc(N2CC[NH+](C3CC3)CC2)cc1 ZINC000113031273 344275717 /nfs/dbraw/zinc/27/57/17/344275717.db2.gz HGHVEAURVOVZTM-UHFFFAOYSA-N 1 0 274.364 2.148 10 0 CEAERO COC1(Cc2ccccc2)CCC(N2CC[NH2+]CC2)CC1 ZINC000113693584 344277521 /nfs/dbraw/zinc/27/75/21/344277521.db2.gz QOJBUBOKLNFQFY-UHFFFAOYSA-N 1 0 288.435 2.462 10 0 CEAERO c1cc2c(ncc3ncn([C@@H]4CCCC[NH2+]C4)c32)[nH]1 ZINC000118524763 344291978 /nfs/dbraw/zinc/29/19/78/344291978.db2.gz ODIJDHYUYWTLHD-SNVBAGLBSA-N 1 0 255.325 2.227 10 0 CEAERO [NH3+]C[C@@H]1CCCN1Cc1ncc(-c2ccc(F)cc2)o1 ZINC000128170852 344334895 /nfs/dbraw/zinc/33/48/95/344334895.db2.gz URXXGABOYAQJPS-ZDUSSCGKSA-N 1 0 275.327 2.404 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1Oc1ncccc1Br ZINC000131582743 344358682 /nfs/dbraw/zinc/35/86/82/344358682.db2.gz KHNXKKJCRCERMP-RKDXNWHRSA-N 1 0 257.131 2.103 10 0 CEAERO C[NH2+]Cc1c[nH]nc1-c1ccc(Br)o1 ZINC000131871789 344360264 /nfs/dbraw/zinc/36/02/64/344360264.db2.gz ZPYSZEGQEQVEIX-UHFFFAOYSA-N 1 0 256.103 2.152 10 0 CEAERO CCOC(=O)c1ccc(NC(=O)C[C@H]([NH3+])C(C)C)cc1 ZINC000136438092 344385098 /nfs/dbraw/zinc/38/50/98/344385098.db2.gz KJRMTNXWDBZBOS-ZDUSSCGKSA-N 1 0 278.352 2.175 10 0 CEAERO C[C@H]([NH3+])[C@H](O)c1ccc(Cl)c(Br)c1 ZINC000137197685 344387527 /nfs/dbraw/zinc/38/75/27/344387527.db2.gz CYCYAVBXLCJGEI-CDUCUWFYSA-N 1 0 264.550 2.483 10 0 CEAERO Fc1ccc(O[C@H]2CC[NH2+]C2)cc1Br ZINC000137599907 344387788 /nfs/dbraw/zinc/38/77/88/344387788.db2.gz KBRAGJQQOHKVLV-QMMMGPOBSA-N 1 0 260.106 2.329 10 0 CEAERO O=C(c1ccc(C(F)(F)F)nc1)C1CC[NH2+]CC1 ZINC000141974355 344402014 /nfs/dbraw/zinc/40/20/14/344402014.db2.gz UGFXDGBSWDWJGB-UHFFFAOYSA-N 1 0 258.243 2.283 10 0 CEAERO O=[N+]([O-])c1ccc(N2CC[NH2+]CC2)c2ccccc21 ZINC000141872113 344402025 /nfs/dbraw/zinc/40/20/25/344402025.db2.gz MHGRYJAQVFYAFH-UHFFFAOYSA-N 1 0 257.293 2.158 10 0 CEAERO C[C@](CC1CC1)(NC(=O)OCc1ccccc1)C(=[NH2+])NO ZINC000146303250 344410121 /nfs/dbraw/zinc/41/01/21/344410121.db2.gz UOWFFOSPFHMHKC-OAHLLOKOSA-N 1 0 291.351 2.428 10 0 CEAERO COC(=O)c1ccc(N[C@@H](C[NH3+])C2CCCCC2)nc1C ZINC000147699737 344412863 /nfs/dbraw/zinc/41/28/63/344412863.db2.gz BUTGUXJRJNALLO-AWEZNQCLSA-N 1 0 291.395 2.496 10 0 CEAERO C[C@H]([NH3+])CNc1ncc(Cl)cc1Br ZINC000162818786 344468676 /nfs/dbraw/zinc/46/86/76/344468676.db2.gz FASCPUCOMZDQMR-YFKPBYRVSA-N 1 0 264.554 2.257 10 0 CEAERO Cc1cccc(CSCC(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000170860776 344492027 /nfs/dbraw/zinc/49/20/27/344492027.db2.gz BXYYVQAGQNKOQF-HNNXBMFYSA-N 1 0 292.448 2.391 10 0 CEAERO C[C@H](Nc1ncnc2ccsc21)[C@@H]1CCC[NH2+]C1 ZINC000050163933 362407163 /nfs/dbraw/zinc/40/71/63/362407163.db2.gz UFRLTLGIJPCTQR-VHSXEESVSA-N 1 0 262.382 2.491 10 0 CEAERO C[C@]1(C(=O)NCCc2ccc(Cl)s2)CCC[NH2+]1 ZINC000227423772 344553009 /nfs/dbraw/zinc/55/30/09/344553009.db2.gz ALQWOVOLGMGBHR-GFCCVEGCSA-N 1 0 272.801 2.202 10 0 CEAERO [NH3+]Cc1cc(Br)cc(-n2ccnc2)c1 ZINC000227599963 344555225 /nfs/dbraw/zinc/55/52/25/344555225.db2.gz WZXCIYDEDAPOIE-UHFFFAOYSA-N 1 0 252.115 2.094 10 0 CEAERO CCCCOC[C@@H](O)C[NH2+]C[C@@]1(C)CCCS1 ZINC000227894656 344557596 /nfs/dbraw/zinc/55/75/96/344557596.db2.gz FQZARMZUAAGWSW-QWHCGFSZSA-N 1 0 261.431 2.039 10 0 CEAERO C[C@H]1SCC[C@@]12C[NH+]=C(N)N2Cc1ccccc1 ZINC000235643292 344592037 /nfs/dbraw/zinc/59/20/37/344592037.db2.gz PLQVGPRAWYVTIJ-BXUZGUMPSA-N 1 0 261.394 2.081 10 0 CEAERO CC(C)C[C@@H](CN(C)C)[NH2+]C[C@@H](O)CC1CCCC1 ZINC000232130254 344576986 /nfs/dbraw/zinc/57/69/86/344576986.db2.gz TXBFKDYLLPIJQB-HOTGVXAUSA-N 1 0 270.461 2.494 10 0 CEAERO Brc1ccc(NC[C@@H]2CCC[NH2+]2)cn1 ZINC000232482797 344578190 /nfs/dbraw/zinc/57/81/90/344578190.db2.gz OAMAGGRYJADHTD-QMMMGPOBSA-N 1 0 256.147 2.008 10 0 CEAERO CCC1(CNC(=O)C[C@H]2CCC[NH2+]C2)CCCC1 ZINC000232988622 344580458 /nfs/dbraw/zinc/58/04/58/344580458.db2.gz GONGXSFKFOEBDM-CYBMUJFWSA-N 1 0 252.402 2.463 10 0 CEAERO CC[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H]1CCCO ZINC000052761857 362473393 /nfs/dbraw/zinc/47/33/93/362473393.db2.gz IZCZFZPZUYNZMT-LSDHHAIUSA-N 1 0 282.428 2.014 10 0 CEAERO COc1c(C)cnc(C[N@@H+]2CCC[C@@H]2CCCO)c1C ZINC000052762759 362473450 /nfs/dbraw/zinc/47/34/50/362473450.db2.gz XKSIESYHTGDIHZ-CQSZACIVSA-N 1 0 278.396 2.444 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1C(=O)CCOc1cccc(Cl)c1 ZINC000237826227 344605006 /nfs/dbraw/zinc/60/50/06/344605006.db2.gz RZEBUOZEBAUNNW-ZDUSSCGKSA-N 1 0 296.798 2.449 10 0 CEAERO C[C@@H]([NH3+])c1sccc1I ZINC000238383043 344606730 /nfs/dbraw/zinc/60/67/30/344606730.db2.gz RTYIRPMPKRHQHF-SCSAIBSYSA-N 1 0 253.108 2.372 10 0 CEAERO CCO[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCC[C@H]([NH3+])C2)C1(C)C ZINC000262280777 344654301 /nfs/dbraw/zinc/65/43/01/344654301.db2.gz KVRKOFSNQLCBEL-XDQVBPFNSA-N 1 0 282.428 2.166 10 0 CEAERO CC[C@@H]1CCC[C@@H](NC(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000251803983 344637792 /nfs/dbraw/zinc/63/77/92/344637792.db2.gz OGFPQMBHZFFEEU-MGPQQGTHSA-N 1 0 252.402 2.461 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@H]2CCCc3ccccc32)C1 ZINC000252668355 344640949 /nfs/dbraw/zinc/64/09/49/344640949.db2.gz VLWMNCZLZZQGJK-WBVHZDCISA-N 1 0 274.408 2.374 10 0 CEAERO C[C@H]([NH3+])[C@H](C)Nc1nc(Br)cs1 ZINC000307146924 344720264 /nfs/dbraw/zinc/72/02/64/344720264.db2.gz OBKFWVWTVTWOID-WHFBIAKZSA-N 1 0 250.165 2.053 10 0 CEAERO CC(C)(C)[C@H](O)C[NH2+]CCCOc1ccccc1 ZINC000310810637 344731653 /nfs/dbraw/zinc/73/16/53/344731653.db2.gz BUAGXBTZCYYIMM-CQSZACIVSA-N 1 0 251.370 2.452 10 0 CEAERO CCCCOC[C@@H](O)C[NH2+]Cc1sc(C)nc1C ZINC000311021397 344732744 /nfs/dbraw/zinc/73/27/44/344732744.db2.gz ZEQMIYMDKNVTMW-LBPRGKRZSA-N 1 0 272.414 2.027 10 0 CEAERO Cc1nnsc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000311588662 344734925 /nfs/dbraw/zinc/73/49/25/344734925.db2.gz ZLDPSQOYZFJVLD-YNEHKIRRSA-N 1 0 281.425 2.362 10 0 CEAERO CCC[N@H+](Cc1ncccc1C(=O)OC)C(C)C ZINC000305923845 344711124 /nfs/dbraw/zinc/71/11/24/344711124.db2.gz IKXUOSNCKJKXAJ-UHFFFAOYSA-N 1 0 250.342 2.489 10 0 CEAERO C[N@@H+]1CC[C@@H](Oc2cc(N)cc(C(F)(F)F)c2)C1 ZINC000306083383 344711570 /nfs/dbraw/zinc/71/15/70/344711570.db2.gz JADIYJCBIDJEEN-SNVBAGLBSA-N 1 0 260.259 2.371 10 0 CEAERO O[C@@H](c1csc(Br)c1)[C@@H]1C=CC[NH2+]1 ZINC000306392942 344713262 /nfs/dbraw/zinc/71/32/62/344713262.db2.gz FTFQXJKMYLTQKN-CBAPKCEASA-N 1 0 260.156 2.072 10 0 CEAERO C[N@H+](CC1CC1)C[C@H]1CN(Cc2cccs2)CCO1 ZINC000328633224 344757161 /nfs/dbraw/zinc/75/71/61/344757161.db2.gz LXABDPWSCUUSCP-AWEZNQCLSA-N 1 0 280.437 2.291 10 0 CEAERO O=C(c1ccncc1Cl)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000328644034 344757839 /nfs/dbraw/zinc/75/78/39/344757839.db2.gz RODPYURFGOHIED-SNVBAGLBSA-N 1 0 279.771 2.092 10 0 CEAERO CC(C)(C)[C@@H](O)C[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000324503529 344754003 /nfs/dbraw/zinc/75/40/03/344754003.db2.gz OOPNLFRMSPENDC-OLZOCXBDSA-N 1 0 287.469 2.428 10 0 CEAERO N#Cc1c(F)cccc1N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000381922500 344825866 /nfs/dbraw/zinc/82/58/66/344825866.db2.gz VGKFLPGFOAQFQS-NHYWBVRUSA-N 1 0 259.328 2.263 10 0 CEAERO CCOC(=O)CC[C@H](O)C[NH2+][C@H](C)c1cccc(C)c1 ZINC000385458746 344830250 /nfs/dbraw/zinc/83/02/50/344830250.db2.gz VHDRTVKNMSWALC-HIFRSBDPSA-N 1 0 279.380 2.350 10 0 CEAERO C[NH2+][C@H]1CCC[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000403277810 344874757 /nfs/dbraw/zinc/87/47/57/344874757.db2.gz QQLWTGKOMTYRPF-RYUDHWBXSA-N 1 0 272.348 2.061 10 0 CEAERO CC1(C)CCC(C[N@@H+]2CC[C@@H]3OCCN[C@@H]3C2)CC1 ZINC000404188266 344878617 /nfs/dbraw/zinc/87/86/17/344878617.db2.gz GRINXYNDHWNVHM-CABCVRRESA-N 1 0 266.429 2.266 10 0 CEAERO [NH2+]=C1NC[C@@H](c2ccns2)N1Cc1ccccc1 ZINC000404449803 344880795 /nfs/dbraw/zinc/88/07/95/344880795.db2.gz FVKTXUJYBZDTEW-NSHDSACASA-N 1 0 258.350 2.224 10 0 CEAERO C[NH2+][C@H](C)CCC[S@](=O)c1cc(F)ccc1F ZINC000084037189 178776601 /nfs/dbraw/zinc/77/66/01/178776601.db2.gz ODAQFEUVGRNRLF-VVVCHXIZSA-N 1 0 261.337 2.461 10 0 CEAERO COc1ccc([C@@H](C)[NH3+])cc1C[S@](=O)C1CCOCC1 ZINC000084053344 178779580 /nfs/dbraw/zinc/77/95/80/178779580.db2.gz QQPCXLORYPLBFW-BIBXISHDSA-N 1 0 297.420 2.143 10 0 CEAERO CCOC(=O)[C@H](CC)Oc1ccc([C@H](C)[NH3+])cc1 ZINC000084098180 178788818 /nfs/dbraw/zinc/78/88/18/178788818.db2.gz JGJWKNWJEIXHRK-GWCFXTLKSA-N 1 0 251.326 2.427 10 0 CEAERO O=C1CC2(CCCCC2)C(=O)N1CCC[NH+]1CCCC1 ZINC000584624905 344968243 /nfs/dbraw/zinc/96/82/43/344968243.db2.gz LSLSASIUVUGQCJ-UHFFFAOYSA-N 1 0 278.396 2.182 10 0 CEAERO CCOC(=O)[C@H](Cc1ccccc1)[C@@]1(C)[NH2+]CCS1 ZINC000584630398 344969124 /nfs/dbraw/zinc/96/91/24/344969124.db2.gz UISQDOCJMXYKTH-ZFWWWQNUSA-N 1 0 279.405 2.461 10 0 CEAERO CN1c2ccccc2-c2ccc(F)cc2[C@H]([NH3+])C1=O ZINC000584640222 344971578 /nfs/dbraw/zinc/97/15/78/344971578.db2.gz TWTJHCQHLKYNAD-AWEZNQCLSA-N 1 0 256.280 2.469 10 0 CEAERO CNc1c(N)c[nH+]c2ccc(N3CCCCC3)cc21 ZINC000584882199 344996283 /nfs/dbraw/zinc/99/62/83/344996283.db2.gz UDGJBSMCJQFIGK-UHFFFAOYSA-N 1 0 256.353 2.271 10 0 CEAERO OCC1(C[C@H]2CO2)CC[NH+](Cc2ccccc2)CC1 ZINC000584882382 344996584 /nfs/dbraw/zinc/99/65/84/344996584.db2.gz FXTYRYNUUBIIFP-HNNXBMFYSA-N 1 0 261.365 2.050 10 0 CEAERO C[C@@H](NC(=O)CC1([NH3+])CCCCC1)c1ccccn1 ZINC000084164179 178810667 /nfs/dbraw/zinc/81/06/67/178810667.db2.gz VZFFTNDZTRSFQL-GFCCVEGCSA-N 1 0 261.369 2.311 10 0 CEAERO [NH3+]C1(CC(=O)NCc2cccc(F)c2)CCCCC1 ZINC000084163627 178810685 /nfs/dbraw/zinc/81/06/85/178810685.db2.gz RDZCCXLSCUGSOC-UHFFFAOYSA-N 1 0 264.344 2.494 10 0 CEAERO [NH3+]C1(CC(=O)N2CCC[C@H]2c2cccnc2)CCCC1 ZINC000084164569 178811239 /nfs/dbraw/zinc/81/12/39/178811239.db2.gz PUZHBGVNDDWYKR-AWEZNQCLSA-N 1 0 273.380 2.407 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1cccc(F)c1F ZINC000054291089 362521514 /nfs/dbraw/zinc/52/15/14/362521514.db2.gz WXBLYMLDYSOXSS-VIFPVBQESA-N 1 0 254.280 2.293 10 0 CEAERO COC(=O)c1ccc(F)cc1NC(=O)CC1([NH3+])CCCC1 ZINC000084168598 178813184 /nfs/dbraw/zinc/81/31/84/178813184.db2.gz VIXJYFGJOJEWJA-UHFFFAOYSA-N 1 0 294.326 2.212 10 0 CEAERO [NH3+]C1(CC(=O)N(C[C@H]2CCOC2)C2CC2)CCCCC1 ZINC000084182725 178816842 /nfs/dbraw/zinc/81/68/42/178816842.db2.gz WVPOXUCYXGBKQV-CYBMUJFWSA-N 1 0 280.412 2.066 10 0 CEAERO CCC(CC)N(CCOC)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054292014 362523131 /nfs/dbraw/zinc/52/31/31/362523131.db2.gz ZVTYGMYTWMUNPJ-CYBMUJFWSA-N 1 0 270.417 2.040 10 0 CEAERO Cc1nc(NC(=O)C[C@@H]2CCC[NH2+]C2)sc1C ZINC000054308924 362526522 /nfs/dbraw/zinc/52/65/22/362526522.db2.gz IJBXZNUZWGFUPC-JTQLQIEISA-N 1 0 253.371 2.088 10 0 CEAERO CCc1cc2c(ncnc2N2CC[NH2+]C[C@@H]2C)s1 ZINC000054375262 362533919 /nfs/dbraw/zinc/53/39/19/362533919.db2.gz QDYCKSSQQIDOTB-VIFPVBQESA-N 1 0 262.382 2.052 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)CSCc1ccc(F)cc1 ZINC000591676582 345273810 /nfs/dbraw/zinc/27/38/10/345273810.db2.gz YCWMKZDLDABTBQ-TZMCWYRMSA-N 1 0 296.411 2.303 10 0 CEAERO [NH3+]C[C@H]1CCCN1C(=O)CSCc1ccc(F)cc1 ZINC000592304078 345342507 /nfs/dbraw/zinc/34/25/07/345342507.db2.gz YQIQGRGNSCOZGP-CYBMUJFWSA-N 1 0 282.384 2.009 10 0 CEAERO CCCN[C@@](C)(C[C@H](C)[N@H+](C)CCC)C(=O)OC ZINC000084305380 178852417 /nfs/dbraw/zinc/85/24/17/178852417.db2.gz TUZBIWFMBDTRSE-JSGCOSHPSA-N 1 0 258.406 2.038 10 0 CEAERO COc1ccc(Cl)cc1NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000097092327 185529180 /nfs/dbraw/zinc/52/91/80/185529180.db2.gz OBLAHUQNDWRHHQ-WPRPVWTQSA-N 1 0 268.744 2.415 10 0 CEAERO CC[NH2+][C@H](C)C[C@@H](C)S(=O)(=O)c1ccc(OC)cc1 ZINC000084356645 178867273 /nfs/dbraw/zinc/86/72/73/178867273.db2.gz WOIPLDHISJLBCH-VXGBXAGGSA-N 1 0 285.409 2.246 10 0 CEAERO Cn1nccc1[C@H]([NH3+])c1ccccc1OC(F)(F)F ZINC000097116430 185539662 /nfs/dbraw/zinc/53/96/62/185539662.db2.gz CHQMVSNUVOZKMC-LLVKDONJSA-N 1 0 271.242 2.367 10 0 CEAERO C[NH2+][C@@H](C[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1C ZINC000097120666 185540054 /nfs/dbraw/zinc/54/00/54/185540054.db2.gz KLKPDVBDTREYMN-FZMZJTMJSA-N 1 0 285.384 2.219 10 0 CEAERO CCCOc1ccc([C@@H]([NH3+])C[C@H]2CCS(=O)(=O)C2)cc1 ZINC000097128160 185541960 /nfs/dbraw/zinc/54/19/60/185541960.db2.gz LVWVTMYLUASYGN-DOMZBBRYSA-N 1 0 297.420 2.300 10 0 CEAERO C[NH2+][C@@H]1CC[C@@H](S(=O)(=O)Cc2cccc(C)c2)C1 ZINC000084433907 178887624 /nfs/dbraw/zinc/88/76/24/178887624.db2.gz WQPJLVPBMGALFQ-ZIAGYGMSSA-N 1 0 267.394 2.050 10 0 CEAERO CCC[NH2+][C@H]1CC[C@H](Sc2ncnc3[nH]cnc32)C1 ZINC000084435804 178888329 /nfs/dbraw/zinc/88/83/29/178888329.db2.gz DVSPIZZRQRQYIQ-UWVGGRQHSA-N 1 0 277.397 2.366 10 0 CEAERO COC[C@H](C)N(C)c1cc(C[NH3+])c2ccccc2n1 ZINC000051397409 522594819 /nfs/dbraw/zinc/59/48/19/522594819.db2.gz YMGZVGVLTZUTDF-NSHDSACASA-N 1 0 259.353 2.165 10 0 CEAERO CCC[NH2+][C@@H](c1cc(CC)nn1C)C1CCOCC1 ZINC000097181041 185556535 /nfs/dbraw/zinc/55/65/35/185556535.db2.gz OEEHFYKLHPLYIK-OAHLLOKOSA-N 1 0 265.401 2.450 10 0 CEAERO COc1c(C)cnc(C[C@](C)(O)C[NH2+]CC(C)C)c1C ZINC000097210916 185564429 /nfs/dbraw/zinc/56/44/29/185564429.db2.gz SFILVMKZIAOSBJ-INIZCTEOSA-N 1 0 280.412 2.246 10 0 CEAERO C[NH2+][C@H](C[C@H]1CCS(=O)(=O)C1)c1csc(C)c1 ZINC000097227087 185568248 /nfs/dbraw/zinc/56/82/48/185568248.db2.gz NJUXATOGDKJTSK-ZYHUDNBSSA-N 1 0 273.423 2.142 10 0 CEAERO Cc1cc(C[C@H]([NH3+])COc2cccc(Cl)c2)n(C)n1 ZINC000097273076 185575356 /nfs/dbraw/zinc/57/53/56/185575356.db2.gz LOMUZGYSIDGEMJ-LBPRGKRZSA-N 1 0 279.771 2.331 10 0 CEAERO CC(C)C[NH2+]C[C@@](C)(O)Cc1ccncc1Cl ZINC000097241078 185572066 /nfs/dbraw/zinc/57/20/66/185572066.db2.gz UTHXRQWFVGOHTG-ZDUSSCGKSA-N 1 0 256.777 2.274 10 0 CEAERO Cc1cc(C[C@H]([NH3+])CCOc2cccc(C)c2)n(C)n1 ZINC000097273155 185575522 /nfs/dbraw/zinc/57/55/22/185575522.db2.gz XPWBNRGPEHAPNT-CQSZACIVSA-N 1 0 273.380 2.376 10 0 CEAERO CCOCC[C@@H]([NH3+])Cc1nc2ccccc2n1CC ZINC000097303642 185580830 /nfs/dbraw/zinc/58/08/30/185580830.db2.gz UMARRBNZMPEDRY-GFCCVEGCSA-N 1 0 261.369 2.353 10 0 CEAERO CC[NH2+][C@H](Cc1ncnn1C)[C@@H]1CSc2ccccc21 ZINC000097275271 185575821 /nfs/dbraw/zinc/57/58/21/185575821.db2.gz FPYIQZRETQZODT-CHWSQXEVSA-N 1 0 288.420 2.225 10 0 CEAERO CCc1nn(C)c(C[C@H]([NH3+])c2cc(C)nn2CC)c1Cl ZINC000097276230 185576269 /nfs/dbraw/zinc/57/62/69/185576269.db2.gz OCRHMEIALIVQCS-JTQLQIEISA-N 1 0 295.818 2.403 10 0 CEAERO C[NH2+][C@@H](CCc1ccco1)Cc1ncnn1C(C)C ZINC000097277513 185577148 /nfs/dbraw/zinc/57/71/48/185577148.db2.gz KZWCGKWNDXHXRG-LBPRGKRZSA-N 1 0 262.357 2.215 10 0 CEAERO C[C@H]1CC(OCCC(=O)N(C)CCC[NH3+])C[C@@H](C)C1 ZINC000084960139 178934298 /nfs/dbraw/zinc/93/42/98/178934298.db2.gz RAPGCDQLJLKEKL-PBWFPOADSA-N 1 0 270.417 2.025 10 0 CEAERO C[NH2+][C@H](C[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)s1 ZINC000097346802 185588025 /nfs/dbraw/zinc/58/80/25/185588025.db2.gz YHSDDFIVBLBTAC-DTWKUNHWSA-N 1 0 293.841 2.487 10 0 CEAERO CCCOCC[C@H](Cc1cn2ccsc2n1)[NH2+]C ZINC000097349422 185588130 /nfs/dbraw/zinc/58/81/30/185588130.db2.gz CTMCQTKTCOTVOL-LLVKDONJSA-N 1 0 267.398 2.343 10 0 CEAERO C[NH2+]CC[C@](C)(O)Cc1ccc(F)cc1Br ZINC000084997509 178941665 /nfs/dbraw/zinc/94/16/65/178941665.db2.gz CIDRMFLTJPTBIQ-LBPRGKRZSA-N 1 0 290.176 2.491 10 0 CEAERO C[C@H]1CC[C@H](OCCC(=O)N(C)CCC[NH3+])C[C@@H]1C ZINC000085011952 178942408 /nfs/dbraw/zinc/94/24/08/178942408.db2.gz ANXQDEAZDJWBKQ-IHRRRGAJSA-N 1 0 270.417 2.025 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](CCO)c1cnn(-c2ccccc2)c1 ZINC000097435287 185603512 /nfs/dbraw/zinc/60/35/12/185603512.db2.gz QVDOGLUOZYNFNJ-LSDHHAIUSA-N 1 0 259.353 2.076 10 0 CEAERO Cn1cnnc1CC[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000085126321 178952391 /nfs/dbraw/zinc/95/23/91/178952391.db2.gz QFLSBOUERBDDMD-UHFFFAOYSA-N 1 0 276.306 2.068 10 0 CEAERO CC(C)([NH3+])[C@@H](O)c1cc(Br)ccc1F ZINC000085071702 178947646 /nfs/dbraw/zinc/94/76/46/178947646.db2.gz JAMFWORANIFTCA-VIFPVBQESA-N 1 0 262.122 2.359 10 0 CEAERO CC[C@H]([NH3+])[C@@H](CC(=O)OC)c1ccc(COC)cc1 ZINC000097432420 185602450 /nfs/dbraw/zinc/60/24/50/185602450.db2.gz XAYBXSMRKPONTI-KBPBESRZSA-N 1 0 265.353 2.217 10 0 CEAERO CC[NH2+][C@H](CCCOC)Cn1cnc2ccccc21 ZINC000097462305 185610487 /nfs/dbraw/zinc/61/04/87/185610487.db2.gz IYXIMLKSVZFJMZ-CYBMUJFWSA-N 1 0 261.369 2.441 10 0 CEAERO C[NH2+][C@@H](c1cncc(F)c1)c1cccc2c1OCC2 ZINC000097460693 185611290 /nfs/dbraw/zinc/61/12/90/185611290.db2.gz OVKSAUWXSVLCFL-AWEZNQCLSA-N 1 0 258.296 2.464 10 0 CEAERO CC(C)[C@H]1CCN(C(=O)C2CCC(C[NH3+])CC2)C1 ZINC000097467399 185612110 /nfs/dbraw/zinc/61/21/10/185612110.db2.gz JPQMSQVXSVYWNK-RUXDESIVSA-N 1 0 252.402 2.256 10 0 CEAERO Cc1nc(C[C@@H]([NH3+])Cc2ccn(C(C)C)n2)cs1 ZINC000085170032 178961567 /nfs/dbraw/zinc/96/15/67/178961567.db2.gz YVHBCJOWONZGKU-NSHDSACASA-N 1 0 264.398 2.341 10 0 CEAERO C[NH2+]CC1(Cc2ccn(C(C)C)n2)CCOCC1 ZINC000085171004 178961836 /nfs/dbraw/zinc/96/18/36/178961836.db2.gz BNDSCOWCDGKSFP-UHFFFAOYSA-N 1 0 251.374 2.023 10 0 CEAERO CCCN(CC[NH2+]C)Cc1ccn([C@@H](C)CC)n1 ZINC000085179851 178963617 /nfs/dbraw/zinc/96/36/17/178963617.db2.gz AZRCJSTZSCJSFT-ZDUSSCGKSA-N 1 0 252.406 2.286 10 0 CEAERO Cc1cccnc1CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000295124025 199357612 /nfs/dbraw/zinc/35/76/12/199357612.db2.gz XRTDFVRCWQCMFQ-BPLDGKMQSA-N 1 0 260.381 2.336 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@H](CC1CCOCC1)NN ZINC000097583631 185631435 /nfs/dbraw/zinc/63/14/35/185631435.db2.gz INUVYXADRNXPTR-GJZGRUSLSA-N 1 0 271.449 2.146 10 0 CEAERO Cc1cc(Cl)c(CN(C)C2C[NH2+]C2)c(Cl)n1 ZINC000085257994 178989955 /nfs/dbraw/zinc/98/99/55/178989955.db2.gz ICRSMUPYZLYIHP-UHFFFAOYSA-N 1 0 260.168 2.100 10 0 CEAERO Cn1nccc1C1CC[NH+](Cc2cccc3nccn32)CC1 ZINC000179981301 232396820 /nfs/dbraw/zinc/39/68/20/232396820.db2.gz VUOQJZLVSIHHHP-UHFFFAOYSA-N 1 0 295.390 2.447 10 0 CEAERO CCc1ccc(O[C@@H](C)C[C@@](C)(CO)[NH2+]C)cc1 ZINC000085284094 179002333 /nfs/dbraw/zinc/00/23/33/179002333.db2.gz ROBIVYBSLMSSEF-WFASDCNBSA-N 1 0 251.370 2.377 10 0 CEAERO CC(C)(C)c1ccc(OC[C@@]([NH3+])(CO)C2CC2)cc1 ZINC000085284341 179002392 /nfs/dbraw/zinc/00/23/92/179002392.db2.gz VGKNPEGYJIEZJP-INIZCTEOSA-N 1 0 263.381 2.463 10 0 CEAERO CC[NH2+][C@](C)(CO)C[C@@H](C)n1ccc(C(F)(F)F)n1 ZINC000085264340 178994690 /nfs/dbraw/zinc/99/46/90/178994690.db2.gz QJIMCROQSCLBFI-KOLCDFICSA-N 1 0 279.306 2.214 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)CCOc1cccc(F)c1 ZINC000085285497 179003258 /nfs/dbraw/zinc/00/32/58/179003258.db2.gz XWSIZMSDFLZJIF-AWEZNQCLSA-N 1 0 255.333 2.344 10 0 CEAERO CC(C)[NH2+][C@](CO)(COc1cccc(F)c1)C1CC1 ZINC000085285518 179003662 /nfs/dbraw/zinc/00/36/62/179003662.db2.gz IREHHJADEUFGAQ-OAHLLOKOSA-N 1 0 267.344 2.344 10 0 CEAERO CC(C)(C)c1cccc(OCC[C@@](C)([NH3+])CO)c1 ZINC000085286513 179003840 /nfs/dbraw/zinc/00/38/40/179003840.db2.gz CQJUGYNYBSYMDY-OAHLLOKOSA-N 1 0 251.370 2.463 10 0 CEAERO Cc1cc(C(C)(C)C)ccc1OC[C@@](C)([NH3+])CO ZINC000085286575 179003977 /nfs/dbraw/zinc/00/39/77/179003977.db2.gz IYJJPJAKISYJNO-HNNXBMFYSA-N 1 0 251.370 2.381 10 0 CEAERO Cc1cc(C)c(C)c(O[C@H](C)C[C@](C)([NH3+])CO)c1 ZINC000085286062 179004125 /nfs/dbraw/zinc/00/41/25/179004125.db2.gz JBQPEIMCEMWJAC-DOMZBBRYSA-N 1 0 251.370 2.479 10 0 CEAERO C[NH2+][C@@H](CO)CCOc1cccc(C(C)(C)C)c1 ZINC000085286530 179004246 /nfs/dbraw/zinc/00/42/46/179004246.db2.gz VXKSYSJPHOGLPE-CYBMUJFWSA-N 1 0 251.370 2.333 10 0 CEAERO C[C@@H]1CC(OCC[C@@H](CO)[NH2+]C2CC2)C[C@@H](C)C1 ZINC000085287571 179004485 /nfs/dbraw/zinc/00/44/85/179004485.db2.gz ZCWHJWAOVBVSMF-OBJOEFQTSA-N 1 0 255.402 2.331 10 0 CEAERO Cc1cccc(CSC[C@]([NH3+])(CO)C2CC2)c1 ZINC000085289029 179005194 /nfs/dbraw/zinc/00/51/94/179005194.db2.gz WFFUYRLIZQNMTH-CQSZACIVSA-N 1 0 251.395 2.328 10 0 CEAERO CC[NH2+][C@@](C)(CO)C[C@H](C)Sc1nc(C)cc(C)n1 ZINC000085288028 179005283 /nfs/dbraw/zinc/00/52/83/179005283.db2.gz MFDYIYKXHXEUJK-GXTWGEPZSA-N 1 0 283.441 2.325 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)CCSC1CCOCC1 ZINC000085290188 179006381 /nfs/dbraw/zinc/00/63/81/179006381.db2.gz YLSXUAANIBZCLT-CYBMUJFWSA-N 1 0 261.431 2.038 10 0 CEAERO C[C@]([NH3+])(CO)CCCSc1ncnc2ccccc21 ZINC000085297260 179008625 /nfs/dbraw/zinc/00/86/25/179008625.db2.gz WLBPGPXXMOVXHD-CQSZACIVSA-N 1 0 277.393 2.212 10 0 CEAERO COc1ccccc1S[C@@H](C)C[C@@](C)([NH3+])CO ZINC000085297522 179009122 /nfs/dbraw/zinc/00/91/22/179009122.db2.gz KXTNQAMKYHSCJJ-GXFFZTMASA-N 1 0 255.383 2.276 10 0 CEAERO Cc1cnc(S[C@@H](C)C[C@@](C)(CO)[NH2+]C2CC2)nc1 ZINC000085297775 179009212 /nfs/dbraw/zinc/00/92/12/179009212.db2.gz QBNPCSVMBGRLSQ-FZMZJTMJSA-N 1 0 281.425 2.159 10 0 CEAERO COc1ccccc1S[C@@H](C)C[C@](C)([NH3+])CO ZINC000085297518 179009391 /nfs/dbraw/zinc/00/93/91/179009391.db2.gz KXTNQAMKYHSCJJ-GWCFXTLKSA-N 1 0 255.383 2.276 10 0 CEAERO CC[NH2+][C@@](CO)(CSCc1ccco1)C1CC1 ZINC000085297967 179009443 /nfs/dbraw/zinc/00/94/43/179009443.db2.gz BGCDULYONJROAG-ZDUSSCGKSA-N 1 0 255.383 2.263 10 0 CEAERO CCCCN(CC[C@](C)(O)C[NH3+])c1ccccc1 ZINC000085301930 179009708 /nfs/dbraw/zinc/00/97/08/179009708.db2.gz WLXIKEIFHYXSPD-HNNXBMFYSA-N 1 0 250.386 2.393 10 0 CEAERO CC[NH2+][C@](C)(CO)CCOc1ccc(C)c(C)c1 ZINC000085284712 179002996 /nfs/dbraw/zinc/00/29/96/179002996.db2.gz MRZLKNJBZJQPHV-HNNXBMFYSA-N 1 0 251.370 2.433 10 0 CEAERO CCc1nc2ccccc2n1[C@@H](C)C[C@@](C)(O)C[NH3+] ZINC000085304537 179012007 /nfs/dbraw/zinc/01/20/07/179012007.db2.gz KDSXEKGFWZTMEV-XHDPSFHLSA-N 1 0 261.369 2.260 10 0 CEAERO C[C@H]1C[C@@H](OC[C@@](O)(C[NH3+])C2CC2)CC(C)(C)C1 ZINC000085305698 179012149 /nfs/dbraw/zinc/01/21/49/179012149.db2.gz SSTRQHTVSZJUEK-LNSITVRQSA-N 1 0 255.402 2.318 10 0 CEAERO C[C@](O)(C[NH3+])CCCCOc1cccc(F)c1F ZINC000085305201 179012212 /nfs/dbraw/zinc/01/22/12/179012212.db2.gz OCSGPYHENRRLEN-CYBMUJFWSA-N 1 0 259.296 2.224 10 0 CEAERO C[C@](O)(C[NH3+])CCSc1ccc2c(c1)CCC2 ZINC000085308808 179013284 /nfs/dbraw/zinc/01/32/84/179013284.db2.gz OGWWSZSWKOHMOT-CQSZACIVSA-N 1 0 251.395 2.367 10 0 CEAERO C[C@@H]([NH3+])CSCC(=O)Nc1ccc(Cl)cc1 ZINC000085313104 179014115 /nfs/dbraw/zinc/01/41/15/179014115.db2.gz INGNFRZOOBQQPW-MRVPVSSYSA-N 1 0 258.774 2.359 10 0 CEAERO C[C@](O)(C[NH3+])CCSc1nc2ccccc2s1 ZINC000085320523 179014223 /nfs/dbraw/zinc/01/42/23/179014223.db2.gz VHUWEMBXODOBAD-GFCCVEGCSA-N 1 0 268.407 2.488 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)OCCc1cccs1 ZINC000085331214 179020736 /nfs/dbraw/zinc/02/07/36/179020736.db2.gz DOZFARXXDGPHAK-NEPJUHHUSA-N 1 0 253.367 2.351 10 0 CEAERO COc1ccc(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])c(OC)c1 ZINC000085355412 179030231 /nfs/dbraw/zinc/03/02/31/179030231.db2.gz KFUQLJYKSIOHAY-VXGBXAGGSA-N 1 0 278.352 2.160 10 0 CEAERO COc1ccc2nc(NC(=O)[C@@H]3CCC[C@H]3[NH3+])sc2c1 ZINC000085356422 179030446 /nfs/dbraw/zinc/03/04/46/179030446.db2.gz RCXHHPXSVPUSST-NXEZZACHSA-N 1 0 291.376 2.371 10 0 CEAERO CC(=O)Nc1ccc(C)c(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000085359596 179031694 /nfs/dbraw/zinc/03/16/94/179031694.db2.gz WLVNYRVSVSFZCA-ZIAGYGMSSA-N 1 0 289.379 2.409 10 0 CEAERO CCOCc1ccccc1NC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085359269 179031778 /nfs/dbraw/zinc/03/17/78/179031778.db2.gz PTQSHELFQYUXFI-STQMWFEESA-N 1 0 262.353 2.289 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1cccc(-n2cccn2)c1 ZINC000085359621 179032071 /nfs/dbraw/zinc/03/20/71/179032071.db2.gz IQDODNCRHTTZSJ-GJZGRUSLSA-N 1 0 284.363 2.328 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1ccccc1N1CCCC1 ZINC000085360955 179033033 /nfs/dbraw/zinc/03/30/33/179033033.db2.gz AUNVGZGAVPLDAD-CHWSQXEVSA-N 1 0 273.380 2.353 10 0 CEAERO CC(C)OC(=O)c1ccc(NC(=O)[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000085360925 179033221 /nfs/dbraw/zinc/03/32/21/179033221.db2.gz SBOHSIPDCQZJPC-UONOGXRCSA-N 1 0 290.363 2.318 10 0 CEAERO COC(=O)c1cc(F)ccc1NC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085364892 179036026 /nfs/dbraw/zinc/03/60/26/179036026.db2.gz FZSIVPGEOQFWAC-CMPLNLGQSA-N 1 0 294.326 2.068 10 0 CEAERO COC(=O)c1cc(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])ccc1F ZINC000085362512 179034007 /nfs/dbraw/zinc/03/40/07/179034007.db2.gz HWHPJFVRMPIDCN-ZWNOBZJWSA-N 1 0 294.326 2.068 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000085362909 179034205 /nfs/dbraw/zinc/03/42/05/179034205.db2.gz UKFIHYPNWPWRPW-MLZVIGOLSA-N 1 0 262.397 2.055 10 0 CEAERO CN(Cc1ccc(OC(F)F)cc1)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085366543 179036977 /nfs/dbraw/zinc/03/69/77/179036977.db2.gz WBVNIWOBPDNYOK-STQMWFEESA-N 1 0 298.333 2.374 10 0 CEAERO CCN(CCc1ccccc1)C(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085368677 179038562 /nfs/dbraw/zinc/03/85/62/179038562.db2.gz LWKGRLCUUHLIGL-LSDHHAIUSA-N 1 0 260.381 2.205 10 0 CEAERO Cc1ccc(CN(C(=O)[C@H]2CCC[C@@H]2[NH3+])C(C)C)o1 ZINC000085368831 179038570 /nfs/dbraw/zinc/03/85/70/179038570.db2.gz DHVHAHPWBJWPNR-KBPBESRZSA-N 1 0 264.369 2.452 10 0 CEAERO COc1ccc(C)cc1CN(C)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085371901 179041666 /nfs/dbraw/zinc/04/16/66/179041666.db2.gz ZGSFANMISYHPQN-KBPBESRZSA-N 1 0 276.380 2.089 10 0 CEAERO COc1ccccc1N(C)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085373420 179042988 /nfs/dbraw/zinc/04/29/88/179042988.db2.gz RIVGEXFVOHUWEG-NWDGAFQWSA-N 1 0 262.353 2.176 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1CCCC[C@@H]1[NH3+])c1ccsc1 ZINC000085374463 179043671 /nfs/dbraw/zinc/04/36/71/179043671.db2.gz ONDBIEYDLFASTL-JLLWLGSASA-N 1 0 252.383 2.443 10 0 CEAERO Cc1oc2ccccc2c1C[NH2+][C@@H]1CCCNC1=O ZINC000123299166 282460389 /nfs/dbraw/zinc/46/03/89/282460389.db2.gz RARROHORWHQOPZ-CYBMUJFWSA-N 1 0 258.321 2.109 10 0 CEAERO FC(F)(F)CN(CCc1cccnc1)C1CC[NH2+]CC1 ZINC000085402766 179052646 /nfs/dbraw/zinc/05/26/46/179052646.db2.gz FHZSYTYUDCQUJA-UHFFFAOYSA-N 1 0 287.329 2.240 10 0 CEAERO COc1ccccc1CN1CC[NH2+][C@](C)(C2CC2)C1 ZINC000085435599 179061867 /nfs/dbraw/zinc/06/18/67/179061867.db2.gz IVCFLOJCHDOLRK-INIZCTEOSA-N 1 0 260.381 2.269 10 0 CEAERO C([C@@H]1CCCCO1)N1CC[NH2+][C@@H](C2CCCCC2)C1 ZINC000085435527 179062408 /nfs/dbraw/zinc/06/24/08/179062408.db2.gz MCGJCJRTTJECLR-JKSUJKDBSA-N 1 0 266.429 2.410 10 0 CEAERO CCC[C@@H]1CN(Cc2ncccn2)[C@@](C)(CC)C[NH2+]1 ZINC000085466070 179071587 /nfs/dbraw/zinc/07/15/87/179071587.db2.gz ISVSHRWNRHHTBH-HIFRSBDPSA-N 1 0 262.401 2.219 10 0 CEAERO CCC[C@@H]1CN(C[C@@H]2CCCO2)[C@@](C)(CC)C[NH2+]1 ZINC000085466089 179071827 /nfs/dbraw/zinc/07/18/27/179071827.db2.gz WBKMTBFSCGGNMX-ILXRZTDVSA-N 1 0 254.418 2.408 10 0 CEAERO CCC[C@H]1CN(Cc2cnn(C)c2)[C@@](C)(CC)C[NH2+]1 ZINC000085466164 179071897 /nfs/dbraw/zinc/07/18/97/179071897.db2.gz USIRBXJWIZGREW-GJZGRUSLSA-N 1 0 264.417 2.163 10 0 CEAERO CCC[C@H]1C[NH2+]C(C)(C)CN1CCOCC(F)(F)F ZINC000085469500 179074399 /nfs/dbraw/zinc/07/43/99/179074399.db2.gz MNEHVMQWFGMYSO-NSHDSACASA-N 1 0 282.350 2.418 10 0 CEAERO CCC[C@H]1CN[C@@H](C(C)C)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085450855 179065394 /nfs/dbraw/zinc/06/53/94/179065394.db2.gz CAPZPRMJOHJYAX-SOUVJXGZSA-N 1 0 254.418 2.121 10 0 CEAERO CO[C@H]1CCC[C@@H]([N@@H+]2C[C@H](C(C)C)NC[C@@H]2C)C1 ZINC000085450358 179065525 /nfs/dbraw/zinc/06/55/25/179065525.db2.gz SEHOVQRLJGLIEO-LJISPDSOSA-N 1 0 254.418 2.262 10 0 CEAERO CC[C@H](C)[C@@H]1C[NH2+]CCN1CCOCCC(C)C ZINC000085452705 179066096 /nfs/dbraw/zinc/06/60/96/179066096.db2.gz CBBOTTGUFFPEHV-GJZGRUSLSA-N 1 0 256.434 2.369 10 0 CEAERO c1ccc(CN2CC[NH2+]C[C@@H]2C2CCCCC2)nc1 ZINC000085452960 179067037 /nfs/dbraw/zinc/06/70/37/179067037.db2.gz GWSGRDNDNPQRCS-MRXNPFEDSA-N 1 0 259.397 2.436 10 0 CEAERO C[C@H]1CN(CCCOCC(F)(F)F)C(C)(C)C[NH2+]1 ZINC000085454019 179067090 /nfs/dbraw/zinc/06/70/90/179067090.db2.gz VWIKIPNJTVLQGV-JTQLQIEISA-N 1 0 268.323 2.028 10 0 CEAERO COc1ccc(Cl)cc1CC[NH2+]CC(C)(C)O ZINC000098130386 185690588 /nfs/dbraw/zinc/69/05/88/185690588.db2.gz NECJTQYEZGRFRZ-UHFFFAOYSA-N 1 0 257.761 2.252 10 0 CEAERO CC[C@H]1C[N@H+](CC2CCOCC2)[C@@](C)(C2CC2)CN1 ZINC000085475143 179079204 /nfs/dbraw/zinc/07/92/04/179079204.db2.gz CXOCDJIEUIZMGY-JKSUJKDBSA-N 1 0 266.429 2.266 10 0 CEAERO COCC[N@@H+]1C[C@H](C(C)(C)C)NC[C@@H]1CC(C)C ZINC000085476176 179079490 /nfs/dbraw/zinc/07/94/90/179079490.db2.gz OYIRMNVFABFGLL-UONOGXRCSA-N 1 0 256.434 2.367 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC(C)C)CN1Cc1cnn(C)c1 ZINC000085487505 179081131 /nfs/dbraw/zinc/08/11/31/179081131.db2.gz PJFMZFAFFVOYQE-LSDHHAIUSA-N 1 0 264.417 2.019 10 0 CEAERO CCC[C@@H]1CN[C@](C)(CC)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085495208 179081769 /nfs/dbraw/zinc/08/17/69/179081769.db2.gz ISGVXKSWAMNDFI-RRFJBIMHSA-N 1 0 254.418 2.266 10 0 CEAERO CCCCOCCN1CC(C)(C)[NH2+]C[C@@H]1C1CC1 ZINC000085470576 179076210 /nfs/dbraw/zinc/07/62/10/179076210.db2.gz DBNGAALNUODAAJ-CQSZACIVSA-N 1 0 254.418 2.266 10 0 CEAERO [NH3+]Cc1c[nH]c(-c2ccc(Br)cc2)n1 ZINC000062820812 362724544 /nfs/dbraw/zinc/72/45/44/362724544.db2.gz WUYUUXMKFYKAHY-UHFFFAOYSA-N 1 0 252.115 2.298 10 0 CEAERO CC(C)[C@@H]1CN[C@H](c2ccccc2)C[N@@H+]1[C@@H]1CCOC1 ZINC000085506256 179084792 /nfs/dbraw/zinc/08/47/92/179084792.db2.gz PLSRNSHIYRTPEE-IKGGRYGDSA-N 1 0 274.408 2.446 10 0 CEAERO CCC[C@@H]1C[NH2+][C@H](C2CC2)CN1Cc1cccc(OC)n1 ZINC000085523526 179088769 /nfs/dbraw/zinc/08/87/69/179088769.db2.gz BBCZLPPQJGGIEL-CVEARBPZSA-N 1 0 289.423 2.443 10 0 CEAERO Cn1cc([C@H]2CC[N@H+](Cc3cccc4c3OCO4)C2)cn1 ZINC000128409880 187368924 /nfs/dbraw/zinc/36/89/24/187368924.db2.gz GVFOTXTZXYQIKI-LBPRGKRZSA-N 1 0 285.347 2.138 10 0 CEAERO CC(C)(C)[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1CCn1cccn1 ZINC000085513926 179086680 /nfs/dbraw/zinc/08/66/80/179086680.db2.gz JQSMABXGNXNGIZ-DOTOQJQBSA-N 1 0 290.455 2.372 10 0 CEAERO CCC1(CC)C[N@H+](CCCOC)[C@H](C2CC2)CN1 ZINC000085518994 179087367 /nfs/dbraw/zinc/08/73/67/179087367.db2.gz DTHGUUSBPORFAT-AWEZNQCLSA-N 1 0 254.418 2.266 10 0 CEAERO CCC[C@H]1CN[C@H](C2CC2)C[N@@H+]1CC1CCOCC1 ZINC000085523785 179088552 /nfs/dbraw/zinc/08/85/52/179088552.db2.gz CBVZWGYSRIAPOR-HOTGVXAUSA-N 1 0 266.429 2.266 10 0 CEAERO CC[C@H]1CNC2(CCCCC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085498980 179082971 /nfs/dbraw/zinc/08/29/71/179082971.db2.gz BEIBPVCFMIUUNZ-GJZGRUSLSA-N 1 0 266.429 2.410 10 0 CEAERO CCOCCN1CC2(CCCC2)[NH2+]C[C@@]1(C)CC ZINC000085498589 179083108 /nfs/dbraw/zinc/08/31/08/179083108.db2.gz MUYAOZWZBSLQLP-CQSZACIVSA-N 1 0 254.418 2.410 10 0 CEAERO CCC[C@H]1CN[C@@H](c2ccccc2)C[N@@H+]1CCOC ZINC000085506003 179084158 /nfs/dbraw/zinc/08/41/58/179084158.db2.gz ASBJMDMDNXXWOQ-JKSUJKDBSA-N 1 0 262.397 2.448 10 0 CEAERO CC[C@@H]1CN[C@H](c2ccccc2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085505512 179084548 /nfs/dbraw/zinc/08/45/48/179084548.db2.gz ZQWPDMGQHXDUBZ-UAGQMJEPSA-N 1 0 274.408 2.448 10 0 CEAERO [NH3+]C1CC(Oc2ccc(I)cc2)C1 ZINC000085523739 179088741 /nfs/dbraw/zinc/08/87/41/179088741.db2.gz GJGKVIVYIHFRSR-UHFFFAOYSA-N 1 0 289.116 2.160 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@H](C2CC2)CN1CCOCC(F)(F)F ZINC000085524138 179088808 /nfs/dbraw/zinc/08/88/08/179088808.db2.gz ZZBZWYHKELGSPM-STQMWFEESA-N 1 0 294.361 2.274 10 0 CEAERO CC(C)C[C@@H]1CN[C@@H](C2CC2)C[N@@H+]1CCCn1ccnc1 ZINC000085525551 179089387 /nfs/dbraw/zinc/08/93/87/179089387.db2.gz NVGUQLIITIVEPX-IAGOWNOFSA-N 1 0 290.455 2.372 10 0 CEAERO CC(C)C[C@H]1C[NH2+][C@@H](C2CC2)CN1Cc1ncccn1 ZINC000085525737 179089671 /nfs/dbraw/zinc/08/96/71/179089671.db2.gz RYNQQJWFIHEMRQ-LSDHHAIUSA-N 1 0 274.412 2.075 10 0 CEAERO CC[C@]1(C)C[NH2+][C@H](C2CC2)CN1CC(F)(F)F ZINC000085528574 179091107 /nfs/dbraw/zinc/09/11/07/179091107.db2.gz JXJKUVAMUUCHIO-WDEREUQCSA-N 1 0 250.308 2.401 10 0 CEAERO CC[C@@]1(C)CN[C@H](C2CC2)C[N@@H+]1CCCn1ccnc1 ZINC000085528184 179091200 /nfs/dbraw/zinc/09/12/00/179091200.db2.gz NWEAVQMYAXQLIE-HOTGVXAUSA-N 1 0 276.428 2.126 10 0 CEAERO CCOCCN1C[C@@H](C2CC2)[NH2+]C[C@@H]1Cc1ccccc1 ZINC000085527531 179091231 /nfs/dbraw/zinc/09/12/31/179091231.db2.gz GFBATXBBOPYUQO-ROUUACIJSA-N 1 0 288.435 2.318 10 0 CEAERO C[C@@H]1C[NH2+][C@H](C2CCCCC2)CN1Cc1ncccn1 ZINC000085529654 179091314 /nfs/dbraw/zinc/09/13/14/179091314.db2.gz CRKUUADVQUQASM-HIFRSBDPSA-N 1 0 274.412 2.219 10 0 CEAERO Cc1ccc(F)c(O[C@@H](c2cnn(C)c2)[C@@H](C)[NH3+])c1 ZINC000085533354 179091845 /nfs/dbraw/zinc/09/18/45/179091845.db2.gz UMJNMIYTFRZOIV-QMTHXVAHSA-N 1 0 263.316 2.335 10 0 CEAERO COCC[N@@H+]1C[C@@](C)(c2ccccc2)NCC1(C)C ZINC000085532583 179091991 /nfs/dbraw/zinc/09/19/91/179091991.db2.gz JCOHDYHJDGEBBO-INIZCTEOSA-N 1 0 262.397 2.232 10 0 CEAERO Cc1ccc(F)c(OCC[NH2+]C[C@H]2CCOC2)c1 ZINC000085564128 179094603 /nfs/dbraw/zinc/09/46/03/179094603.db2.gz DGXPZPWLYFCPQF-GFCCVEGCSA-N 1 0 253.317 2.139 10 0 CEAERO CC[NH2+][C@](CO)(COc1cc(C)ccc1F)C1CC1 ZINC000085565113 179094760 /nfs/dbraw/zinc/09/47/60/179094760.db2.gz BEWVURMVELWQAN-OAHLLOKOSA-N 1 0 267.344 2.264 10 0 CEAERO COC[C@H](C)n1c2c(nc1C(C)(C)C)C[NH2+]CC2 ZINC000085568420 179094839 /nfs/dbraw/zinc/09/48/39/179094839.db2.gz FOXGCRKZSWVQOQ-JTQLQIEISA-N 1 0 251.374 2.034 10 0 CEAERO Cc1nc2c(n1CCc1ccc(F)cc1)CC[NH2+]C2 ZINC000085568512 179095378 /nfs/dbraw/zinc/09/53/78/179095378.db2.gz GEDYFDUGEQFYPW-UHFFFAOYSA-N 1 0 259.328 2.219 10 0 CEAERO FC(F)Oc1ccc(-n2cnc3c2CC[NH2+]C3)cc1 ZINC000085567211 179095413 /nfs/dbraw/zinc/09/54/13/179095413.db2.gz FEBYLOFUCOPPKO-UHFFFAOYSA-N 1 0 265.263 2.119 10 0 CEAERO C[C@H]([C@H]1CCCO1)n1c2c(nc1C1CC1)C[NH2+]CC2 ZINC000085570124 179096222 /nfs/dbraw/zinc/09/62/22/179096222.db2.gz HGBXVVZRBDTLDP-QMTHXVAHSA-N 1 0 261.369 2.146 10 0 CEAERO C[C@H]1CC[NH2+][C@@](C)(C2CC2)CN1Cc1ccncc1 ZINC000085623930 179106701 /nfs/dbraw/zinc/10/67/01/179106701.db2.gz KMSHHMCYDVKXNY-XJKSGUPXSA-N 1 0 259.397 2.434 10 0 CEAERO C[C@H]1CC[NH2+][C@@H](C2CC2)CN1CCC(F)(F)F ZINC000085626452 179106707 /nfs/dbraw/zinc/10/67/07/179106707.db2.gz WYTPFTUXWDDKNA-GXSJLCMTSA-N 1 0 250.308 2.401 10 0 CEAERO C[C@@H]1CC[NH2+][C@@H](C2CC2)CN1CCOCC(F)(F)F ZINC000085626276 179106850 /nfs/dbraw/zinc/10/68/50/179106850.db2.gz OVFZBXPXQRQYQS-ZYHUDNBSSA-N 1 0 280.334 2.028 10 0 CEAERO COc1ccccc1CN1CCC[NH2+][C@H](C2CC2)C1 ZINC000085616185 179103599 /nfs/dbraw/zinc/10/35/99/179103599.db2.gz VBNLYWZQUOWNET-HNNXBMFYSA-N 1 0 260.381 2.269 10 0 CEAERO CCOCC[N@@H+]1CCCN[C@@](C)(c2ccccc2)C1 ZINC000085615446 179103869 /nfs/dbraw/zinc/10/38/69/179103869.db2.gz AHGOAVSHLGBFJX-MRXNPFEDSA-N 1 0 262.397 2.234 10 0 CEAERO Cn1cc(CN2CCC[NH2+][C@@H](C3CCCCC3)C2)cn1 ZINC000085615428 179104383 /nfs/dbraw/zinc/10/43/83/179104383.db2.gz YNHJIZOAIUEMBK-MRXNPFEDSA-N 1 0 276.428 2.164 10 0 CEAERO C[C@]1(c2ccccc2)C[N@H+](C[C@@H]2CCCO2)CCCN1 ZINC000085615638 179104444 /nfs/dbraw/zinc/10/44/44/179104444.db2.gz PSOCMLCQXGDOAZ-DLBZAZTESA-N 1 0 274.408 2.376 10 0 CEAERO CC(C)C[C@@H]1C[N@H+](C[C@@H]2CCOC2)[C@@H](C)CCN1 ZINC000085622139 179105470 /nfs/dbraw/zinc/10/54/70/179105470.db2.gz TWVQVRCRHANQOV-SOUVJXGZSA-N 1 0 254.418 2.121 10 0 CEAERO CC1(C)[C@H]([NH2+]CCCCn2ccnc2)[C@H]2CCO[C@@H]21 ZINC000085637372 179110106 /nfs/dbraw/zinc/11/01/06/179110106.db2.gz BSAMAVYLTWGWMP-MCIONIFRSA-N 1 0 263.385 2.066 10 0 CEAERO Cc1csc(CC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)n1 ZINC000085638327 179110180 /nfs/dbraw/zinc/11/01/80/179110180.db2.gz NRZPKYXWGZDBSU-RTXFEEFZSA-N 1 0 266.410 2.397 10 0 CEAERO C[C@@H](CN1CCCC1)[NH2+][C@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085675454 179112576 /nfs/dbraw/zinc/11/25/76/179112576.db2.gz IIEXYNIQSKVNPJ-AJNGGQMLSA-N 1 0 266.429 2.264 10 0 CEAERO CCC[NH2+]CCc1ccc(OC)c(OC)c1OC ZINC000085696760 179115779 /nfs/dbraw/zinc/11/57/79/179115779.db2.gz XLXPUAVPJLGXPN-UHFFFAOYSA-N 1 0 253.342 2.255 10 0 CEAERO Clc1cc(CC[NH2+]C2CC2)cc2c1OCCO2 ZINC000085696899 179116129 /nfs/dbraw/zinc/11/61/29/179116129.db2.gz QHSKKLSNHQAMMH-UHFFFAOYSA-N 1 0 253.729 2.406 10 0 CEAERO C[C@@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1nnc2ccccn21 ZINC000085632543 179108792 /nfs/dbraw/zinc/10/87/92/179108792.db2.gz JCOJKUOQHWRQAU-XWUBHJNHSA-N 1 0 286.379 2.193 10 0 CEAERO COC[C@H](C)N(C)c1ccc(Cl)cc1C(N)=[NH2+] ZINC000052860136 522595431 /nfs/dbraw/zinc/59/54/31/522595431.db2.gz HRPNIUMUDLPJCS-QMMMGPOBSA-N 1 0 255.749 2.095 10 0 CEAERO Cc1c([C@@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cnn1C ZINC000085635112 179109069 /nfs/dbraw/zinc/10/90/69/179109069.db2.gz ZYBRWQUUBMFXFG-MWQHPAIMSA-N 1 0 263.385 2.193 10 0 CEAERO Cc1cc([C@@H]2[C@H]([NH3+])CCN2C)ccc1Br ZINC000085708658 179122999 /nfs/dbraw/zinc/12/29/99/179122999.db2.gz ZVAXKPRZSVSWNQ-VXGBXAGGSA-N 1 0 269.186 2.461 10 0 CEAERO Cc1cc([C@@H]2[C@@H]([NH3+])CCN2C)ccc1Br ZINC000085708662 179123059 /nfs/dbraw/zinc/12/30/59/179123059.db2.gz ZVAXKPRZSVSWNQ-NWDGAFQWSA-N 1 0 269.186 2.461 10 0 CEAERO C[NH+](C)C(C)(C)[C@@H](O)c1occc1Br ZINC000085735758 179134229 /nfs/dbraw/zinc/13/42/29/179134229.db2.gz MGOJPPMUJZEGER-VIFPVBQESA-N 1 0 262.147 2.416 10 0 CEAERO C[C@@H]([NH3+])C1CCN(c2nncc3ccccc32)CC1 ZINC000104433458 136554618 /nfs/dbraw/zinc/55/46/18/136554618.db2.gz ROFJIKZSQOBXNS-LLVKDONJSA-N 1 0 256.353 2.193 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000111265985 136561287 /nfs/dbraw/zinc/56/12/87/136561287.db2.gz UHPSGVLELPWUDA-BBRMVZONSA-N 1 0 287.407 2.471 10 0 CEAERO CCS[C@@H]1CC[C@H](N(C)C(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000236893490 370648531 /nfs/dbraw/zinc/64/85/31/370648531.db2.gz WRZGDPQJWGIELD-FVCCEPFGSA-N 1 0 270.442 2.246 10 0 CEAERO C[C@H]([NH2+][C@@H](CN(C)C)c1ccccc1)[C@@H]1CCCO1 ZINC000336816841 365859203 /nfs/dbraw/zinc/85/92/03/365859203.db2.gz NOMNIVKBFYYXBO-BPUTZDHNSA-N 1 0 262.397 2.446 10 0 CEAERO C[NH2+][C@@H](Cc1ccccc1Br)CN(C)C ZINC000085799217 179173148 /nfs/dbraw/zinc/17/31/48/179173148.db2.gz ZIXSDXJIJRGZCM-NSHDSACASA-N 1 0 271.202 2.141 10 0 CEAERO [NH3+][C@@]1(C(=O)Nc2nc3ccc(Cl)cc3s2)CCOC1 ZINC000085867355 179191788 /nfs/dbraw/zinc/19/17/88/179191788.db2.gz UFFOMYZSBARWOL-LBPRGKRZSA-N 1 0 297.767 2.006 10 0 CEAERO CCCCc1ccc(NC(=O)[C@]2([NH3+])CCOC2)cc1 ZINC000085868925 179192667 /nfs/dbraw/zinc/19/26/67/179192667.db2.gz DPCMPPQPDHLQDT-HNNXBMFYSA-N 1 0 262.353 2.086 10 0 CEAERO C[C@H](C[NH3+])[C@](C)(O)c1ccc(Br)cc1 ZINC000085899362 179195922 /nfs/dbraw/zinc/19/59/22/179195922.db2.gz HPCAUOKTMQGOKC-KCJUWKMLSA-N 1 0 258.159 2.251 10 0 CEAERO Cc1ccc(C(=O)NC[C@H]2CCCC[C@H]2[NH3+])cc1F ZINC000085965371 179205372 /nfs/dbraw/zinc/20/53/72/179205372.db2.gz WIPJYNRIYVNHNB-TZMCWYRMSA-N 1 0 264.344 2.381 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(F)cc1F ZINC000085967651 179206210 /nfs/dbraw/zinc/20/62/10/179206210.db2.gz CNTCZISYGQQQCJ-NOZJJQNGSA-N 1 0 268.307 2.212 10 0 CEAERO COc1ccccc1NC(=O)NC[C@H]1CCCC[C@H]1[NH3+] ZINC000085970405 179206863 /nfs/dbraw/zinc/20/68/63/179206863.db2.gz AVNIROAHBBFIBX-VXGBXAGGSA-N 1 0 277.368 2.334 10 0 CEAERO CCS(=O)(=O)c1ccc(NC[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000085973809 179207098 /nfs/dbraw/zinc/20/70/98/179207098.db2.gz NDFJDNRWVUEMQB-IUODEOHRSA-N 1 0 296.436 2.410 10 0 CEAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000085974142 179207843 /nfs/dbraw/zinc/20/78/43/179207843.db2.gz GUEZGIOLPRLEQI-STQMWFEESA-N 1 0 263.337 2.056 10 0 CEAERO CCCCCc1ccc(NC(=O)[C@@]2([NH3+])CCOC2)cc1 ZINC000085912318 179197239 /nfs/dbraw/zinc/19/72/39/179197239.db2.gz UFXISXVCLPVPRY-MRXNPFEDSA-N 1 0 276.380 2.476 10 0 CEAERO C[N@H+](Cc1ccc2ccccc2n1)CC1(CO)CC1 ZINC000065370922 362811168 /nfs/dbraw/zinc/81/11/68/362811168.db2.gz FDEALDYLMGBKFU-UHFFFAOYSA-N 1 0 256.349 2.439 10 0 CEAERO CCC[NH2+][C@@H](CCO)C[S@](=O)c1ccc2c(c1)CCC2 ZINC000085927432 179202430 /nfs/dbraw/zinc/20/24/30/179202430.db2.gz VAHZECQAZMGOQY-MGPUTAFESA-N 1 0 295.448 2.034 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000085980071 179209223 /nfs/dbraw/zinc/20/92/23/179209223.db2.gz QKXWYGSXVAHXJD-SWHYSGLUSA-N 1 0 265.401 2.239 10 0 CEAERO C[C@H](O)CC[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000085989395 179213485 /nfs/dbraw/zinc/21/34/85/179213485.db2.gz NSSHHQAJHGCNGR-CABZTGNLSA-N 1 0 277.286 2.099 10 0 CEAERO CCC[NH2+][C@H]1CC[C@@H](Sc2nnnn2C2CC2)[C@@H]1C ZINC000086044742 179222764 /nfs/dbraw/zinc/22/27/64/179222764.db2.gz YLXVDVSWRMOBNX-ADEWGFFLSA-N 1 0 281.429 2.267 10 0 CEAERO CCC[NH2+][C@@H]1CC[C@H](Sc2nc(C)cc(=O)[nH]2)[C@@H]1C ZINC000086044836 179222780 /nfs/dbraw/zinc/22/27/80/179222780.db2.gz WPLWHRCHXZXDOM-UTUOFQBUSA-N 1 0 281.425 2.337 10 0 CEAERO CCC[NH2+][C@H]1CC[C@H](Sc2n[nH]c(=O)n2C2CC2)[C@@H]1C ZINC000086045685 179222938 /nfs/dbraw/zinc/22/29/38/179222938.db2.gz NELVFWGROLZNHB-USWWRNFRSA-N 1 0 296.440 2.165 10 0 CEAERO CCC[NH2+][C@@H]1CC[C@H](Sc2nccc(=O)[nH]2)[C@@H]1C ZINC000086043768 179223233 /nfs/dbraw/zinc/22/32/33/179223233.db2.gz HGIBAEZVEIMJAI-MXWKQRLJSA-N 1 0 267.398 2.441 10 0 CEAERO C[C@@H]1CC[C@@H](NC(=O)c2ccc(CC[NH3+])cc2)[C@@H]1C ZINC000086075541 179225343 /nfs/dbraw/zinc/22/53/43/179225343.db2.gz DCBNRPQUWCYBGF-LALPHHSUSA-N 1 0 260.381 2.352 10 0 CEAERO CC[NH2+][C@H](c1cc(C)sc1C)[C@H]1CCS(=O)(=O)C1 ZINC000086021224 179218995 /nfs/dbraw/zinc/21/89/95/179218995.db2.gz QAPJYSRNYVXPEH-AAEUAGOBSA-N 1 0 287.450 2.450 10 0 CEAERO CCC[C@H](C)NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000603582519 347380612 /nfs/dbraw/zinc/38/06/12/347380612.db2.gz WURJRGVEIHLTMZ-RWMBFGLXSA-N 1 0 253.390 2.053 10 0 CEAERO CC[C@]1(C)CN(CCc2cccc(F)c2)CC[NH2+]1 ZINC000086128053 179235764 /nfs/dbraw/zinc/23/57/64/179235764.db2.gz VTYWZJDMTZXZIF-OAHLLOKOSA-N 1 0 250.361 2.442 10 0 CEAERO CCC[C@H](C)NC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000605011182 347439122 /nfs/dbraw/zinc/43/91/22/347439122.db2.gz YYRXVIDQWXKWGN-BFHYXJOUSA-N 1 0 267.417 2.443 10 0 CEAERO Cc1csc(CN2CC[NH2+][C@H](CC(C)C)C2)n1 ZINC000086144339 179237435 /nfs/dbraw/zinc/23/74/35/179237435.db2.gz CPDSPGRVHCYMIG-GFCCVEGCSA-N 1 0 253.415 2.271 10 0 CEAERO Cc1ncc(CN2CC[NH2+][C@@H](C(C)(C)C)C2)s1 ZINC000086144151 179237617 /nfs/dbraw/zinc/23/76/17/179237617.db2.gz VBOWAZYKIKPRJO-GFCCVEGCSA-N 1 0 253.415 2.271 10 0 CEAERO CC[C@@H]1CC[C@H](NC(=O)c2ccc(C[NH3+])cn2)[C@@H]1C ZINC000086082850 179228047 /nfs/dbraw/zinc/22/80/47/179228047.db2.gz MDOYOBDOFJHJSY-RTXFEEFZSA-N 1 0 261.369 2.095 10 0 CEAERO CC[C@H]1CC[C@@H](NC(=O)c2ccc(C[NH3+])cn2)[C@@H]1C ZINC000086082853 179228496 /nfs/dbraw/zinc/22/84/96/179228496.db2.gz MDOYOBDOFJHJSY-KGYLQXTDSA-N 1 0 261.369 2.095 10 0 CEAERO CC[C@H]1CC[C@@H](NC(=O)[C@H]([NH3+])Cc2ccccc2)[C@@H]1C ZINC000086094025 179228912 /nfs/dbraw/zinc/22/89/12/179228912.db2.gz OCXSQSGHZWJVAH-SLBVQIDZSA-N 1 0 274.408 2.497 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)Nc2cccc(Br)c2)C1 ZINC000086089453 179229120 /nfs/dbraw/zinc/22/91/20/179229120.db2.gz UFUULYGDYJAZPU-SCZZXKLOSA-N 1 0 281.153 2.291 10 0 CEAERO c1ccc(C[C@H]2CN(CCOC3CCCC3)CC[NH2+]2)cc1 ZINC000086149522 179240593 /nfs/dbraw/zinc/24/05/93/179240593.db2.gz YOGLPUSBLNOJCP-KRWDZBQOSA-N 1 0 288.435 2.462 10 0 CEAERO CC[C@@H]1CN[C@@H](Cc2ccccc2)C[N@@H+]1C1CCOCC1 ZINC000086154441 179241268 /nfs/dbraw/zinc/24/12/68/179241268.db2.gz XXOYDDVIKCACCF-DLBZAZTESA-N 1 0 288.435 2.461 10 0 CEAERO CC[C@H](C)[C@@H]1CN(c2cnn(C)c2)[C@H](C(C)C)C[NH2+]1 ZINC000086154172 179241672 /nfs/dbraw/zinc/24/16/72/179241672.db2.gz FASZLCIGJOMJTO-QEJZJMRPSA-N 1 0 264.417 2.269 10 0 CEAERO CC[C@H](C)[C@@H]1C[N@H+](C[C@@H](C)COC)[C@@H](CC)CN1 ZINC000086174260 179245251 /nfs/dbraw/zinc/24/52/51/179245251.db2.gz NMUZBTCUDMMQQJ-QPSCCSFWSA-N 1 0 256.434 2.367 10 0 CEAERO Cc1cnc(CN2C[C@@H](C)[NH2+]C[C@@H]2c2ccccc2)cn1 ZINC000086174961 179245410 /nfs/dbraw/zinc/24/54/10/179245410.db2.gz CYMYRUTXASTZIK-RHSMWYFYSA-N 1 0 282.391 2.320 10 0 CEAERO CC(C)[C@@H]1CN(CCc2cscn2)[C@@H](C)C[NH2+]1 ZINC000086175797 179245664 /nfs/dbraw/zinc/24/56/64/179245664.db2.gz PYYPUHIXAMOUDS-AAEUAGOBSA-N 1 0 253.415 2.004 10 0 CEAERO COC[C@H](C)C[N@@H+]1C[C@@H](Cc2ccccc2)NC[C@@H]1C ZINC000086174270 179245740 /nfs/dbraw/zinc/24/57/40/179245740.db2.gz XAFVUWHPRIVZMA-HLLBOEOZSA-N 1 0 276.424 2.174 10 0 CEAERO CC(C)[C@@H]1CN(c2cnn(C(C)C)c2)[C@@H](C)C[NH2+]1 ZINC000086175111 179245784 /nfs/dbraw/zinc/24/57/84/179245784.db2.gz HXUIDOHTEAFNQS-JSGCOSHPSA-N 1 0 250.390 2.287 10 0 CEAERO CC(C)[C@H]1CN(CCc2cscn2)[C@@H](C)C[NH2+]1 ZINC000086175799 179245850 /nfs/dbraw/zinc/24/58/50/179245850.db2.gz PYYPUHIXAMOUDS-WCQYABFASA-N 1 0 253.415 2.004 10 0 CEAERO COc1cc(CN2CC[NH2+]C[C@@H]2c2ccccc2)ccn1 ZINC000086177787 179246202 /nfs/dbraw/zinc/24/62/02/179246202.db2.gz KHOANTJFCJAKNP-MRXNPFEDSA-N 1 0 283.375 2.237 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@H](C)CN1[C@@H]1COc2ccccc21 ZINC000086176288 179246603 /nfs/dbraw/zinc/24/66/03/179246603.db2.gz PZCGTFCVPDDUNZ-VHDGCEQUSA-N 1 0 260.381 2.438 10 0 CEAERO Cc1nccc(CN2CC[NH2+][C@H](C3CCCCC3)C2)n1 ZINC000086146298 179239217 /nfs/dbraw/zinc/23/92/17/179239217.db2.gz WYDKJRFDKZZLJM-INIZCTEOSA-N 1 0 274.412 2.139 10 0 CEAERO CC[C@@H](C)[C@H]1CN(CCc2nccs2)CC[NH2+]1 ZINC000086148894 179239564 /nfs/dbraw/zinc/23/95/64/179239564.db2.gz OSLSUZILFVDHEZ-VXGBXAGGSA-N 1 0 253.415 2.006 10 0 CEAERO Cc1csc(CCN2CC[NH2+][C@@H](CC(C)C)C2)n1 ZINC000086148879 179239644 /nfs/dbraw/zinc/23/96/44/179239644.db2.gz IADPTDOSZCZNNA-ZDUSSCGKSA-N 1 0 267.442 2.314 10 0 CEAERO Cc1cccc(CN2CC[NH2+][C@H](Cc3ccccc3)C2)n1 ZINC000086147054 179239812 /nfs/dbraw/zinc/23/98/12/179239812.db2.gz RUUYUUZITBRQIW-GOSISDBHSA-N 1 0 281.403 2.407 10 0 CEAERO Cc1csc(CCN2CC[NH2+][C@](C)(C3CC3)C2)n1 ZINC000086148857 179239896 /nfs/dbraw/zinc/23/98/96/179239896.db2.gz NEGFTWKVIHTUHB-AWEZNQCLSA-N 1 0 265.426 2.068 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](C2CC2)CN1CCc1ccc(F)cc1 ZINC000086180936 179247942 /nfs/dbraw/zinc/24/79/42/179247942.db2.gz FWHFKQDAJJZSLB-MLGOLLRUSA-N 1 0 262.372 2.441 10 0 CEAERO CCC1(CC)CN(c2cnn(C)c2)[C@@H](C(C)C)C[NH2+]1 ZINC000086218363 179249553 /nfs/dbraw/zinc/24/95/53/179249553.db2.gz RDCAJYLJRJYFCG-CQSZACIVSA-N 1 0 264.417 2.413 10 0 CEAERO CC[C@H]1C[NH2+][C@H](c2ccccc2)CN1c1cnn(C)c1 ZINC000086218331 179249759 /nfs/dbraw/zinc/24/97/59/179249759.db2.gz YCOSJWVNWFWJJY-HOCLYGCPSA-N 1 0 270.380 2.350 10 0 CEAERO C[C@H]1C[NH2+]C(C)(C)CN1CCc1cccc(F)c1 ZINC000086218747 179250683 /nfs/dbraw/zinc/25/06/83/179250683.db2.gz BULPDPZASZNIQR-LBPRGKRZSA-N 1 0 250.361 2.441 10 0 CEAERO CC(C)[C@H]1C[NH2+][C@H](C2CC2)CN1CCc1cccnc1 ZINC000086223217 179251966 /nfs/dbraw/zinc/25/19/66/179251966.db2.gz LBXYTGRKAMITLZ-DLBZAZTESA-N 1 0 273.424 2.333 10 0 CEAERO C[C@@H]1C[NH2+]C2(CCCC2)CN1CCc1ccncc1 ZINC000086223350 179252120 /nfs/dbraw/zinc/25/21/20/179252120.db2.gz ZEUVCBDZCMVOCX-CQSZACIVSA-N 1 0 259.397 2.231 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C2CC2)CN1Cc1cnc(C)s1 ZINC000086226743 179252828 /nfs/dbraw/zinc/25/28/28/179252828.db2.gz ONWSBDLJQSNQIE-JSGCOSHPSA-N 1 0 265.426 2.414 10 0 CEAERO COCc1nc(CNC[C@@H]2CC[N@@H+](C(C)C)C2)cs1 ZINC000608054821 347558433 /nfs/dbraw/zinc/55/84/33/347558433.db2.gz DRUVKBUFVYQGIT-LBPRGKRZSA-N 1 0 283.441 2.109 10 0 CEAERO CCC[C@@H](C[NH3+])Nc1nc(Br)cs1 ZINC000086290984 179265440 /nfs/dbraw/zinc/26/54/40/179265440.db2.gz WESMMLDRURTNAD-LURJTMIESA-N 1 0 264.192 2.445 10 0 CEAERO Cc1cc(CN2C[C@H](C3CC3)[NH2+]C[C@@H]2C(C)C)on1 ZINC000086260379 179259441 /nfs/dbraw/zinc/25/94/41/179259441.db2.gz OJFJVLQUXYQKBY-HUUCEWRRSA-N 1 0 263.385 2.191 10 0 CEAERO CC[C@@H]1C[NH2+]C(CC)(CC)CN1Cc1nc(C)no1 ZINC000086260275 179259601 /nfs/dbraw/zinc/25/96/01/179259601.db2.gz IQPKQYFXECLLOL-GFCCVEGCSA-N 1 0 266.389 2.121 10 0 CEAERO CC[C@H]1CN[C@@](C)(CC)C[N@@H+]1[C@@H]1CCC[C@@H]1OC ZINC000086261358 179259930 /nfs/dbraw/zinc/25/99/30/179259930.db2.gz JBFDCTUIJSLFOV-XGUBFFRZSA-N 1 0 254.418 2.406 10 0 CEAERO CC[C@H]1CN[C@](C)(C2CC2)C[N@@H+]1C[C@@H](C)COC ZINC000086260926 179260276 /nfs/dbraw/zinc/26/02/76/179260276.db2.gz ZOSWXZLCHGQPPR-SNPRPXQTSA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@H]1C[NH2+][C@@](C)(CC)CN1Cc1ccnc(OC)c1 ZINC000086263844 179261119 /nfs/dbraw/zinc/26/11/19/179261119.db2.gz JZULXTWHHHAETM-HOCLYGCPSA-N 1 0 277.412 2.443 10 0 CEAERO C[C@H]1C[NH2+][C@H](C(C)(C)C)CN1CCc1nccs1 ZINC000086264348 179261354 /nfs/dbraw/zinc/26/13/54/179261354.db2.gz HNFAYDHYWMNJID-RYUDHWBXSA-N 1 0 267.442 2.394 10 0 CEAERO C[C@H]1C[NH2+][C@](C)(C2CC2)CN1CCOC1CCCC1 ZINC000086265654 179261618 /nfs/dbraw/zinc/26/16/18/179261618.db2.gz SZOABFOMOYAENC-BBRMVZONSA-N 1 0 266.429 2.408 10 0 CEAERO CC[C@@H]1CN(CCOC2CCCC2)[C@@H](CC)C[NH2+]1 ZINC000086265704 179261661 /nfs/dbraw/zinc/26/16/61/179261661.db2.gz FEDPVBBUFYHOEG-KGLIPLIRSA-N 1 0 254.418 2.408 10 0 CEAERO C[C@@H]1C[NH2+][C@H](C2CC2)CN1[C@@H]1COc2ccccc21 ZINC000086267133 179262510 /nfs/dbraw/zinc/26/25/10/179262510.db2.gz YJEVDYISORFEMW-BYCMXARLSA-N 1 0 258.365 2.192 10 0 CEAERO C[N@@H+]1CCCN(c2nc(Br)cs2)CC1 ZINC000086279443 179263213 /nfs/dbraw/zinc/26/32/13/179263213.db2.gz VGLMMCHEMWALJX-UHFFFAOYSA-N 1 0 276.203 2.048 10 0 CEAERO c1csc(CN2CCC[NH2+]C3(CCCC3)C2)n1 ZINC000086289978 179264569 /nfs/dbraw/zinc/26/45/69/179264569.db2.gz VRBKXIIAQOFAAR-UHFFFAOYSA-N 1 0 251.399 2.251 10 0 CEAERO c1ccc(C[C@@H]2C[N@@H+](C3CCOCC3)CCCN2)cc1 ZINC000086287263 179264801 /nfs/dbraw/zinc/26/48/01/179264801.db2.gz ZKLDTHGOVHVBJF-MRXNPFEDSA-N 1 0 274.408 2.072 10 0 CEAERO CC[C@@H]([NH3+])CNc1nc(Br)cs1 ZINC000086290858 179265285 /nfs/dbraw/zinc/26/52/85/179265285.db2.gz BBIDNDNWAZLJHS-RXMQYKEDSA-N 1 0 250.165 2.055 10 0 CEAERO CCN1CCO[C@H](C[NH2+]C)[C@@H]1c1ccc2ccccc2n1 ZINC000086317393 179270591 /nfs/dbraw/zinc/27/05/91/179270591.db2.gz JUIBBGHPXYHHJC-SJORKVTESA-N 1 0 285.391 2.216 10 0 CEAERO Cc1cc(CN2CCC[NH2+][C@H](CC(C)C)C2)no1 ZINC000086292093 179266077 /nfs/dbraw/zinc/26/60/77/179266077.db2.gz XGAZXXWONLBJPO-CYBMUJFWSA-N 1 0 251.374 2.193 10 0 CEAERO CCC[C@H]1CN(Cc2ccnc(OC)c2)CCC[NH2+]1 ZINC000086296327 179267549 /nfs/dbraw/zinc/26/75/49/179267549.db2.gz WIERCQZRMSOKNT-AWEZNQCLSA-N 1 0 263.385 2.054 10 0 CEAERO CC1(C)CN(C[C@H]2Cc3ccccc3O2)CCC[NH2+]1 ZINC000086293829 179268171 /nfs/dbraw/zinc/26/81/71/179268171.db2.gz MZULBAXBEUTGPN-CQSZACIVSA-N 1 0 260.381 2.064 10 0 CEAERO C(CN1CCC[NH2+][C@H](C2CC2)C1)OC1CCCC1 ZINC000086298017 179268518 /nfs/dbraw/zinc/26/85/18/179268518.db2.gz SNYULSVKNOAUDA-HNNXBMFYSA-N 1 0 252.402 2.020 10 0 CEAERO [NH3+]Cc1ccc(N(C(=O)c2ccncc2F)C2CC2)cc1 ZINC000086315830 179268808 /nfs/dbraw/zinc/26/88/08/179268808.db2.gz JBEHPJGZXOUIKG-UHFFFAOYSA-N 1 0 285.322 2.489 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](Oc2ncccc2Br)C1 ZINC000086408331 179286117 /nfs/dbraw/zinc/28/61/17/179286117.db2.gz LZUZEUMJRNEAPI-HTQZYQBOSA-N 1 0 257.131 2.103 10 0 CEAERO CC[C@H]1COCCN1c1nc2c(s1)CCC[C@@H]2[NH2+]C ZINC000086442945 179293652 /nfs/dbraw/zinc/29/36/52/179293652.db2.gz CFMWZACKPMTCKR-QWRGUYRKSA-N 1 0 281.425 2.355 10 0 CEAERO C[NH2+][C@@H]1CCCc2sc(N3CCOCC3(C)C)nc21 ZINC000086443854 179293861 /nfs/dbraw/zinc/29/38/61/179293861.db2.gz YCYKRCWYNWWITE-SNVBAGLBSA-N 1 0 281.425 2.355 10 0 CEAERO C[NH2+][C@H]1CCCc2sc(N3CCOCC3(C)C)nc21 ZINC000086443853 179293921 /nfs/dbraw/zinc/29/39/21/179293921.db2.gz YCYKRCWYNWWITE-JTQLQIEISA-N 1 0 281.425 2.355 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)c1ccc(C)nc1C ZINC000086446151 179294716 /nfs/dbraw/zinc/29/47/16/179294716.db2.gz KVRZEVNWHWKVRP-UONOGXRCSA-N 1 0 275.396 2.301 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)c1cc(OC)ccc1O ZINC000086446222 179294830 /nfs/dbraw/zinc/29/48/30/179294830.db2.gz ORHXIHNGBUUXBX-NWDGAFQWSA-N 1 0 292.379 2.003 10 0 CEAERO CC[C@@H]1CN(C(=O)Cc2ccccc2)[C@H](CC)C[NH2+]1 ZINC000086446910 179295536 /nfs/dbraw/zinc/29/55/36/179295536.db2.gz VYIOHYZWQJZVPW-HUUCEWRRSA-N 1 0 260.381 2.218 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)c1cccc(F)c1 ZINC000086446998 179295585 /nfs/dbraw/zinc/29/55/85/179295585.db2.gz VXJRYZKHXPCBBQ-UONOGXRCSA-N 1 0 264.344 2.428 10 0 CEAERO CC[C@H]1CN(C(=O)c2cccs2)[C@@H](CC)C[NH2+]1 ZINC000086447951 179295647 /nfs/dbraw/zinc/29/56/47/179295647.db2.gz APLVDYDQISEKAS-QWRGUYRKSA-N 1 0 252.383 2.351 10 0 CEAERO CC[C@@H]1CN(C(=O)c2cccc(F)c2)[C@@H](CC)C[NH2+]1 ZINC000086446996 179295776 /nfs/dbraw/zinc/29/57/76/179295776.db2.gz VXJRYZKHXPCBBQ-KGLIPLIRSA-N 1 0 264.344 2.428 10 0 CEAERO CCCC1(C(=O)NOCc2ccccc2)CC[NH2+]CC1 ZINC000086437052 179292846 /nfs/dbraw/zinc/29/28/46/179292846.db2.gz NULSNYCZUCBVFA-UHFFFAOYSA-N 1 0 276.380 2.404 10 0 CEAERO [NH3+][C@@H]1COC[C@H]1c1nc2ccc(Br)cc2s1 ZINC000086479304 179300613 /nfs/dbraw/zinc/30/06/13/179300613.db2.gz NZARRPHTFJZGSE-HTQZYQBOSA-N 1 0 299.193 2.500 10 0 CEAERO CNC(=O)[C@H]1C[C@@H](c2cc(C)c(C)cc2C)CC[NH2+]1 ZINC000086492925 179302223 /nfs/dbraw/zinc/30/22/23/179302223.db2.gz UCJGGKQZINJPQW-DZGCQCFKSA-N 1 0 260.381 2.193 10 0 CEAERO CC[C@H]1CN(CC(=O)Nc2ccc(C)cc2)[C@@H](CC)C[NH2+]1 ZINC000086464269 179296491 /nfs/dbraw/zinc/29/64/91/179296491.db2.gz YARVNFVUJNGPOU-HOCLYGCPSA-N 1 0 289.423 2.396 10 0 CEAERO CC[C@@H]1CN(Cc2nccn2C(F)F)[C@@H](CC)C[NH2+]1 ZINC000086463785 179296519 /nfs/dbraw/zinc/29/65/19/179296519.db2.gz RTYZWSVORHVMBF-MNOVXSKESA-N 1 0 272.343 2.241 10 0 CEAERO CC[C@@H]1CN(Cc2nc(C(C)(C)C)no2)[C@@H](CC)C[NH2+]1 ZINC000086463773 179296593 /nfs/dbraw/zinc/29/65/93/179296593.db2.gz DCIMHZFMMLJZJK-NEPJUHHUSA-N 1 0 280.416 2.330 10 0 CEAERO CC[C@H]1CN(Cc2ncc(Cl)n2C)[C@@H](CC)C[NH2+]1 ZINC000086464846 179297179 /nfs/dbraw/zinc/29/71/79/179297179.db2.gz KMXRJBVYXGOZPB-QWRGUYRKSA-N 1 0 270.808 2.036 10 0 CEAERO CCS(=O)(=O)CC[C@@H]([NH3+])Cc1ccc(Cl)cc1 ZINC000086567588 179308096 /nfs/dbraw/zinc/30/80/96/179308096.db2.gz IMNIINRFFBLQLY-GFCCVEGCSA-N 1 0 275.801 2.035 10 0 CEAERO COC(=O)[C@]1([NH3+])CC[C@@H](Sc2cccs2)C1 ZINC000086629766 179314494 /nfs/dbraw/zinc/31/44/94/179314494.db2.gz RNFBSVLJTXYMSR-KCJUWKMLSA-N 1 0 257.380 2.263 10 0 CEAERO CCn1c2ccc(C[NH3+])cc2nc1-c1cnn(C)c1C ZINC000086641885 179314890 /nfs/dbraw/zinc/31/48/90/179314890.db2.gz LMQLJWOYCIKJRV-UHFFFAOYSA-N 1 0 269.352 2.224 10 0 CEAERO Cc1nc(S[C@H](C[NH3+])C(F)(F)F)nc(C)c1C ZINC000086643394 179315729 /nfs/dbraw/zinc/31/57/29/179315729.db2.gz KMWVWTBTKVZBEY-MRVPVSSYSA-N 1 0 265.304 2.384 10 0 CEAERO COC[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)NC(=O)CO2)C(C)C ZINC000086695545 179320586 /nfs/dbraw/zinc/32/05/86/179320586.db2.gz OAZYJILVIACKFQ-SMDDNHRTSA-N 1 0 292.379 2.339 10 0 CEAERO C[NH+](C)C[C@H](O)Cc1cc(F)cc(Br)c1 ZINC000086696006 179320657 /nfs/dbraw/zinc/32/06/57/179320657.db2.gz SVIASSCHXAXWKB-LLVKDONJSA-N 1 0 276.149 2.053 10 0 CEAERO Cc1nc(SCC[NH2+]C[C@@H]2CCOC2)nc(C)c1C ZINC000086645146 179316779 /nfs/dbraw/zinc/31/67/79/179316779.db2.gz NUPPOCMMPNNZHJ-ZDUSSCGKSA-N 1 0 281.425 2.120 10 0 CEAERO C[C@H]([NH2+][C@H]1CCC[C@@H]1S(C)(=O)=O)c1cccs1 ZINC000086671757 179317541 /nfs/dbraw/zinc/31/75/41/179317541.db2.gz ZFUBYPUCXMRKFD-NHCYSSNCSA-N 1 0 273.423 2.364 10 0 CEAERO CS(=O)(=O)[C@H]1CCC[C@H]1[NH2+]CC1CCCCC1 ZINC000086672218 179317568 /nfs/dbraw/zinc/31/75/68/179317568.db2.gz ZYABCIHXHCBUJK-OLZOCXBDSA-N 1 0 259.415 2.122 10 0 CEAERO Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2S(C)(=O)=O)c1 ZINC000086671433 179317678 /nfs/dbraw/zinc/31/76/78/179317678.db2.gz PKXRWIUHNMDKDT-KGLIPLIRSA-N 1 0 267.394 2.050 10 0 CEAERO CS(=O)(=O)[C@H]1CCC[C@H]1[NH2+]CCCOc1ccccc1 ZINC000086675871 179319471 /nfs/dbraw/zinc/31/94/71/179319471.db2.gz GTNNCZWWAUQQSS-CABCVRRESA-N 1 0 297.420 2.011 10 0 CEAERO CCOC(=O)[C@]1(NCC[NH+](CC)CC)CCC[C@@H]1C ZINC000086678040 179319587 /nfs/dbraw/zinc/31/95/87/179319587.db2.gz DGJQSCGMKCCJCR-ZFWWWQNUSA-N 1 0 270.417 2.040 10 0 CEAERO C[C@@H]1CCCC[C@H]1[N@H+](C)Cc1c[nH]c(=NN)s1 ZINC000086767655 179325572 /nfs/dbraw/zinc/32/55/72/179325572.db2.gz ZOPMOSPCLDOQAO-MWLCHTKSSA-N 1 0 254.403 2.439 10 0 CEAERO CCNC(=O)[C@H](C)OC1(C[NH3+])CCC(C(C)C)CC1 ZINC000086713478 179322629 /nfs/dbraw/zinc/32/26/29/179322629.db2.gz FHMCFAPAXGXRRZ-OPFPJEHXSA-N 1 0 270.417 2.071 10 0 CEAERO CC[C@H](C)NC(=O)COC1(C[NH3+])CCC(CC)CC1 ZINC000086713157 179322943 /nfs/dbraw/zinc/32/29/43/179322943.db2.gz MLRRAZCBBDLANA-OPFPJEHXSA-N 1 0 270.417 2.215 10 0 CEAERO C[NH2+][C@@H](Cc1csc(C)n1)Cc1nccs1 ZINC000086827576 179348480 /nfs/dbraw/zinc/34/84/80/179348480.db2.gz HVHMFEADAIDPIC-VIFPVBQESA-N 1 0 253.396 2.281 10 0 CEAERO C[N@@H+]1CCC[C@@H](Nc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000086817816 179345972 /nfs/dbraw/zinc/34/59/72/179345972.db2.gz PZGOSIZXOVWPBZ-CQSZACIVSA-N 1 0 287.407 2.475 10 0 CEAERO C[C@H](N[C@@H]1CCC[N@H+](C)CC1)c1nnc2n1CCCCC2 ZINC000086818505 179346346 /nfs/dbraw/zinc/34/63/46/179346346.db2.gz YWHKQSWXEAEHRO-UONOGXRCSA-N 1 0 291.443 2.139 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2ccccc2CC(N)=O)CC1 ZINC000086839843 179352170 /nfs/dbraw/zinc/35/21/70/179352170.db2.gz KSWDUYNGANEZLX-CQSZACIVSA-N 1 0 275.396 2.001 10 0 CEAERO CCC[N@@H+]1CCC[C@@H](N[C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000086841711 179352850 /nfs/dbraw/zinc/35/28/50/179352850.db2.gz DEZJIIRRNVFFHY-JKSUJKDBSA-N 1 0 295.471 2.242 10 0 CEAERO CCC[N@@H+]1CCC[C@H](NCc2ccnc(OC)c2)CC1 ZINC000086844677 179354802 /nfs/dbraw/zinc/35/48/02/179354802.db2.gz VKVDXKBLOOPHKX-HNNXBMFYSA-N 1 0 277.412 2.444 10 0 CEAERO CCC[N@@H+]1CCC[C@@H](NCc2ccnc(OC)c2)CC1 ZINC000086844680 179355125 /nfs/dbraw/zinc/35/51/25/179355125.db2.gz VKVDXKBLOOPHKX-OAHLLOKOSA-N 1 0 277.412 2.444 10 0 CEAERO CCCn1cc([C@]2(O)CCC[N@H+](CCC)CC2)cn1 ZINC000086852837 179359658 /nfs/dbraw/zinc/35/96/58/179359658.db2.gz QXYCXNPNRLVNJW-HNNXBMFYSA-N 1 0 265.401 2.377 10 0 CEAERO CC[N@@H+]1CCC[C@](CO)(Nc2cccc(F)c2)CC1 ZINC000086868156 179360724 /nfs/dbraw/zinc/36/07/24/179360724.db2.gz JXUGIUCDBBNLAH-HNNXBMFYSA-N 1 0 266.360 2.475 10 0 CEAERO CC(C)[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000086869168 179361355 /nfs/dbraw/zinc/36/13/55/179361355.db2.gz JEBIHQQXDJRHCB-SOUVJXGZSA-N 1 0 282.428 2.482 10 0 CEAERO CCC[N@@H+]1CCC[C@H]([NH+](C)CCCC(=O)[O-])CC1 ZINC000086869213 179361777 /nfs/dbraw/zinc/36/17/77/179361777.db2.gz URCYQNRRBKHXTF-ZDUSSCGKSA-N 1 0 256.390 2.048 10 0 CEAERO CCC[N@@H+]1CCC[C@@H]([NH+](CC(=O)[O-])CC(C)C)CC1 ZINC000086869087 179362528 /nfs/dbraw/zinc/36/25/28/179362528.db2.gz SEMSCINLEJGMDL-CQSZACIVSA-N 1 0 270.417 2.294 10 0 CEAERO O=C1CCCN1c1ccc(C[NH2+][C@@H]2CCCOCC2)cc1 ZINC000086869886 179363378 /nfs/dbraw/zinc/36/33/78/179363378.db2.gz GJVWWWUWMQFUBC-OAHLLOKOSA-N 1 0 288.391 2.472 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCCOCC1)c1ccc(NC(N)=O)cc1 ZINC000086873196 179364629 /nfs/dbraw/zinc/36/46/29/179364629.db2.gz BSHJURAGRXAUQX-WCQYABFASA-N 1 0 277.368 2.397 10 0 CEAERO CC[N@@H+]1CCC[C@@]([NH2+]C2CCCCC2)(C(=O)[O-])CC1 ZINC000086850408 179358336 /nfs/dbraw/zinc/35/83/36/179358336.db2.gz AEJHVSLLTAEYCF-HNNXBMFYSA-N 1 0 268.401 2.238 10 0 CEAERO CC[NH2+][C@@H](CCCS(=O)(=O)CC)CC(F)(F)F ZINC000086979049 179372483 /nfs/dbraw/zinc/37/24/83/179372483.db2.gz PGSDLJGPIQYMFS-VIFPVBQESA-N 1 0 275.336 2.132 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH3+])c1ccc(C)c(F)c1 ZINC000086978638 179372496 /nfs/dbraw/zinc/37/24/96/179372496.db2.gz AWQGRUGOOWCZOT-ZDUSSCGKSA-N 1 0 273.373 2.349 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH3+])c1ccc(F)c(C)c1 ZINC000086978966 179372741 /nfs/dbraw/zinc/37/27/41/179372741.db2.gz RHRJLLSXMVPJQQ-CYBMUJFWSA-N 1 0 273.373 2.349 10 0 CEAERO CCS(=O)(=O)CCC[C@@H](C[NH3+])Cc1ccccc1 ZINC000086980663 179372880 /nfs/dbraw/zinc/37/28/80/179372880.db2.gz NKFFQRNDNLMWLY-CQSZACIVSA-N 1 0 269.410 2.019 10 0 CEAERO CN(c1ccccc1F)[C@]1(C[NH3+])CCCOCC1 ZINC000086875582 179365453 /nfs/dbraw/zinc/36/54/53/179365453.db2.gz XQGDYRSYQYTDIH-CQSZACIVSA-N 1 0 252.333 2.160 10 0 CEAERO CCN(Cc1cccs1)[C@@]1(C[NH3+])CCCOCC1 ZINC000086875227 179365664 /nfs/dbraw/zinc/36/56/64/179365664.db2.gz AJNVFGCCTJOCBD-AWEZNQCLSA-N 1 0 268.426 2.468 10 0 CEAERO CSC[C@@H]([NH3+])[C@@H]1CCOC2(CCSCC2)C1 ZINC000086911931 179367030 /nfs/dbraw/zinc/36/70/30/179367030.db2.gz CMZDDRFRXHCOND-GHMZBOCLSA-N 1 0 261.456 2.369 10 0 CEAERO Brc1csc(N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000086933287 179368001 /nfs/dbraw/zinc/36/80/01/179368001.db2.gz QXZFABQXRKSQSL-MRVPVSSYSA-N 1 0 288.214 2.190 10 0 CEAERO CC(C)[C@@H]1CCC[C@H]([NH2+]C2CCN(CC(N)=O)CC2)CC1 ZINC000086943265 179368117 /nfs/dbraw/zinc/36/81/17/179368117.db2.gz WUOMQGZPZHKCJA-CABCVRRESA-N 1 0 295.471 2.131 10 0 CEAERO CCN(CC)CC[NH2+][C@]1(C(N)=O)CCC[C@@H](C(C)C)CC1 ZINC000086949377 179368437 /nfs/dbraw/zinc/36/84/37/179368437.db2.gz SJVRAJOWEGGFNU-NVXWUHKLSA-N 1 0 297.487 2.378 10 0 CEAERO CCC[C@H]1CCC[C@@](CO)([NH+]2CCNCC2)CC1 ZINC000086952227 179368835 /nfs/dbraw/zinc/36/88/35/179368835.db2.gz LCHBFPHFMSTGPM-LSDHHAIUSA-N 1 0 254.418 2.003 10 0 CEAERO CCC[C@H](CC[NH3+])CCc1nc(CCCOC)no1 ZINC000086962860 179369687 /nfs/dbraw/zinc/36/96/87/179369687.db2.gz JDPZSRVYPNNXGU-LBPRGKRZSA-N 1 0 269.389 2.346 10 0 CEAERO CC[NH2+][C@@H](CCCOC)c1cc(Cl)cnc1N ZINC000086970203 179370664 /nfs/dbraw/zinc/37/06/64/179370664.db2.gz JPKQJGZTYLZGMH-NSHDSACASA-N 1 0 257.765 2.394 10 0 CEAERO CCS(=O)(=O)CCCOc1cc(F)ccc1[C@@H](C)[NH3+] ZINC000086973029 179371442 /nfs/dbraw/zinc/37/14/42/179371442.db2.gz HZTZFQSXHINJIR-SNVBAGLBSA-N 1 0 289.372 2.049 10 0 CEAERO CCS(=O)(=O)CCCOc1ccccc1C[NH2+]C(C)C ZINC000086972720 179371636 /nfs/dbraw/zinc/37/16/36/179371636.db2.gz XHROIKWTBVHYTD-UHFFFAOYSA-N 1 0 299.436 2.388 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C ZINC000086976316 179371834 /nfs/dbraw/zinc/37/18/34/179371834.db2.gz MLYFCRUCDQUQTQ-UKRRQHHQSA-N 1 0 281.421 2.334 10 0 CEAERO CCS(=O)(=O)CCC[C@@](C)([NH3+])c1ccc(OC)cc1 ZINC000086977381 179372208 /nfs/dbraw/zinc/37/22/08/179372208.db2.gz BVCVSZPVTJVARJ-CQSZACIVSA-N 1 0 285.409 2.084 10 0 CEAERO CCC(O)(CC)C[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC000087028490 179381753 /nfs/dbraw/zinc/38/17/53/179381753.db2.gz QZPCCUDXSLSDPL-GFCCVEGCSA-N 1 0 273.323 2.139 10 0 CEAERO COc1ccc([C@H](C[NH3+])N2CCSC[C@@H]2C)cc1F ZINC000086992361 179375256 /nfs/dbraw/zinc/37/52/56/179375256.db2.gz QQRHIQYCQSXJDO-GWCFXTLKSA-N 1 0 284.400 2.271 10 0 CEAERO COc1ccc([C@H](O)[C@@H]2CCCCC[NH2+]2)cc1F ZINC000086994449 179376011 /nfs/dbraw/zinc/37/60/11/179376011.db2.gz WBTWPDVKRPNYTQ-JSGCOSHPSA-N 1 0 253.317 2.400 10 0 CEAERO COc1ccc([C@H]2[C@H]([NH3+])CCCC(=O)N2C2CC2)cc1F ZINC000086995329 179376021 /nfs/dbraw/zinc/37/60/21/179376021.db2.gz CSGKMUWLCQFFOW-CJNGLKHVSA-N 1 0 292.354 2.378 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@@H]1NC(=O)c1c(F)cc(F)cc1F ZINC000086997972 179377490 /nfs/dbraw/zinc/37/74/90/179377490.db2.gz FPQAZTIJSQCLJZ-NEPJUHHUSA-N 1 0 286.297 2.494 10 0 CEAERO CC[C@]1(C)C[NH2+]C[C@H](c2ccc3c(c2)OCCO3)O1 ZINC000087006684 179378633 /nfs/dbraw/zinc/37/86/33/179378633.db2.gz SGUVUAKIJCEZJJ-HUUCEWRRSA-N 1 0 263.337 2.287 10 0 CEAERO C[C@H]1C[C@H]([NH3+])CN(c2nc(Br)cs2)C1 ZINC000087043152 179387639 /nfs/dbraw/zinc/38/76/39/179387639.db2.gz SBISYWWGGKMEJM-BQBZGAKWSA-N 1 0 276.203 2.079 10 0 CEAERO CCC1CCC(O)(C[NH2+]C2CCN(C)CC2)CC1 ZINC000087053283 179388975 /nfs/dbraw/zinc/38/89/75/179388975.db2.gz YKKFUCWWKZVXCM-UHFFFAOYSA-N 1 0 254.418 2.002 10 0 CEAERO COc1cccc(N2CCC[C@@H]2C[NH2+]CC(C)C)n1 ZINC000104119391 185898465 /nfs/dbraw/zinc/89/84/65/185898465.db2.gz OAKOOWCQUFOPCI-CYBMUJFWSA-N 1 0 263.385 2.305 10 0 CEAERO CCC(O)(CC)C[NH2+]C[C@H](O)CO[C@H](C)c1ccccc1 ZINC000087028617 179382349 /nfs/dbraw/zinc/38/23/49/179382349.db2.gz WNNFKOKZSOEQLN-ZBFHGGJFSA-N 1 0 295.423 2.266 10 0 CEAERO Cc1ccccc1NC(=O)C[NH2+]CC1(O)CCCCC1 ZINC000087029318 179382558 /nfs/dbraw/zinc/38/25/58/179382558.db2.gz BZZFDGURCBLVIE-UHFFFAOYSA-N 1 0 276.380 2.218 10 0 CEAERO COc1cc(OC)c([C@H]2C[NH2+]CC(C)(C)O2)c(OC)c1 ZINC000087090422 179394377 /nfs/dbraw/zinc/39/43/77/179394377.db2.gz AWEIOTOLQAOTMI-CYBMUJFWSA-N 1 0 281.352 2.152 10 0 CEAERO CC(C)(C)SCc1noc(CC[NH2+]C2CC2)n1 ZINC000087115653 179395270 /nfs/dbraw/zinc/39/52/70/179395270.db2.gz VDILBSMRFGQLDD-UHFFFAOYSA-N 1 0 255.387 2.396 10 0 CEAERO CCC[NH2+][C@@H](COC)Cc1nc(CSC(C)C)no1 ZINC000087115101 179395272 /nfs/dbraw/zinc/39/52/72/179395272.db2.gz HOVKBXIOEWMWFR-LLVKDONJSA-N 1 0 287.429 2.268 10 0 CEAERO CC[NH2+][C@@H](CSC(C)C)Cc1cccnc1N ZINC000087113123 179395334 /nfs/dbraw/zinc/39/53/34/179395334.db2.gz RHBPERJRMMTDSN-GFCCVEGCSA-N 1 0 253.415 2.326 10 0 CEAERO CC(C)n1ccc(C[NH2+]C[C@@]2(O)CCC[C@@H](C)C2)n1 ZINC000087064301 179389834 /nfs/dbraw/zinc/38/98/34/179389834.db2.gz FJVNCKXLYJYXGV-UKRRQHHQSA-N 1 0 265.401 2.495 10 0 CEAERO C[C@H]([NH2+]C[C@]1(O)CCC[C@@H](C)C1)C(=O)NC1CCCCC1 ZINC000087065686 179389849 /nfs/dbraw/zinc/38/98/49/179389849.db2.gz BUCSMSJRDQALLA-KEYYUXOJSA-N 1 0 296.455 2.355 10 0 CEAERO C[C@@H]1CCC[C@@](O)(C[NH2+]CC(=O)Nc2ccccc2)C1 ZINC000087065151 179389904 /nfs/dbraw/zinc/38/99/04/179389904.db2.gz UQYWXIOIZWOXHR-CJNGLKHVSA-N 1 0 276.380 2.156 10 0 CEAERO COc1cccc(C[NH2+]C[C@@]2(O)CCC[C@H](C)C2)n1 ZINC000087064089 179389919 /nfs/dbraw/zinc/38/99/19/179389919.db2.gz YHWKXGTUSOKKAK-SWLSCSKDSA-N 1 0 264.369 2.121 10 0 CEAERO C[C@H]1CCC[C@](O)(C[NH2+]CC2(O)CCCCC2)C1 ZINC000087065429 179390010 /nfs/dbraw/zinc/39/00/10/179390010.db2.gz XWFKXZZIPFIHKL-DZGCQCFKSA-N 1 0 255.402 2.212 10 0 CEAERO CC1(C)CCC(O)(C[NH2+]C[C@H]2CCCCO2)CC1 ZINC000087063667 179390185 /nfs/dbraw/zinc/39/01/85/179390185.db2.gz ADBGFNFJJFPXAX-CYBMUJFWSA-N 1 0 255.402 2.476 10 0 CEAERO CC1(C)CCC(O)(C[NH2+]C[C@@H]2CCCCO2)CC1 ZINC000087063666 179390365 /nfs/dbraw/zinc/39/03/65/179390365.db2.gz ADBGFNFJJFPXAX-ZDUSSCGKSA-N 1 0 255.402 2.476 10 0 CEAERO CCCC1(C(=O)NC[C@@]2(O)CCC[C@@H](C)C2)CC[NH2+]CC1 ZINC000087069379 179391196 /nfs/dbraw/zinc/39/11/96/179391196.db2.gz BOIFXGNRIDWWKG-RHSMWYFYSA-N 1 0 296.455 2.214 10 0 CEAERO CCC[NH2+][C@H]1CCCN(CC2(O)CCC(CC)CC2)C1=O ZINC000087071348 179391396 /nfs/dbraw/zinc/39/13/96/179391396.db2.gz GOWIHAPHYJXBGB-CKDBGZEDSA-N 1 0 296.455 2.308 10 0 CEAERO CCOc1cc2c(cc1[C@@H]1C[NH2+]CCO1)O[C@H](C)C2 ZINC000087090033 179393670 /nfs/dbraw/zinc/39/36/70/179393670.db2.gz DUWGHONOLBGTTL-BMIGLBTASA-N 1 0 263.337 2.070 10 0 CEAERO Nc1cc(C[C@H]([NH3+])CSC2CCCC2)ccn1 ZINC000087144017 179397577 /nfs/dbraw/zinc/39/75/77/179397577.db2.gz XTNIORPYWOOVFA-NSHDSACASA-N 1 0 251.399 2.209 10 0 CEAERO COc1c(C)c[nH+]c(C[C@H](O)C2CCOCC2)c1C ZINC000087180983 179399166 /nfs/dbraw/zinc/39/91/66/179399166.db2.gz SHLPLAIKVKGXDH-AWEZNQCLSA-N 1 0 265.353 2.037 10 0 CEAERO Cc1nn(CCC[C@H]2CCCO2)c(C)c1C[C@@H](C)[NH3+] ZINC000087277333 179407341 /nfs/dbraw/zinc/40/73/41/179407341.db2.gz IXBQTVDKRSDCOZ-RISCZKNCSA-N 1 0 265.401 2.349 10 0 CEAERO COc1ccc([C@H](O)[C@H](C[NH3+])c2ccccc2)cc1 ZINC000087349735 179414920 /nfs/dbraw/zinc/41/49/20/179414920.db2.gz NOUDFWNZAMAECM-CVEARBPZSA-N 1 0 257.333 2.471 10 0 CEAERO C[C@@H](C[NH3+])[C@H](O)c1ccc(F)c(C(F)(F)F)c1 ZINC000087375482 179417231 /nfs/dbraw/zinc/41/72/31/179417231.db2.gz XGMHFHCRFZDVMG-WKEGUHRASA-N 1 0 251.223 2.473 10 0 CEAERO CCC[C@@H](C[NH3+])NC(=O)Cc1ccc(Br)cc1 ZINC000087387443 179419011 /nfs/dbraw/zinc/41/90/11/179419011.db2.gz DPHUQSYEGUIUHP-LBPRGKRZSA-N 1 0 299.212 2.235 10 0 CEAERO Cn1ccc([C@@H]([NH3+])c2ccccc2C(F)(F)F)n1 ZINC000087424194 179423486 /nfs/dbraw/zinc/42/34/86/179423486.db2.gz LHGVDFSGIPYCOH-NSHDSACASA-N 1 0 255.243 2.487 10 0 CEAERO CC(C)C[NH2+]Cc1cnc(-c2ccn(C)n2)s1 ZINC000087426175 179423932 /nfs/dbraw/zinc/42/39/32/179423932.db2.gz AMPAVKGOTOBFBX-UHFFFAOYSA-N 1 0 250.371 2.289 10 0 CEAERO CCC[NH2+][C@@H]1CCCC[C@@H]1c1nc(-c2ccn(C)n2)no1 ZINC000087426766 179424265 /nfs/dbraw/zinc/42/42/65/179424265.db2.gz AESVDNBCZTZFGJ-NWDGAFQWSA-N 1 0 289.383 2.496 10 0 CEAERO Cc1ccccc1CNC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000248619270 539638454 /nfs/dbraw/zinc/63/84/54/539638454.db2.gz SMGFOOHHAICHDU-IJEWVQPXSA-N 1 0 290.407 2.157 10 0 CEAERO CCN(CC(F)(F)F)C(=O)C(C)(C)C(C)(C)[NH3+] ZINC000087629215 179459027 /nfs/dbraw/zinc/45/90/27/179459027.db2.gz DDRZKOKRXRTMRH-UHFFFAOYSA-N 1 0 254.296 2.161 10 0 CEAERO Cc1nsc(N(CCC[NH3+])C2CCCCC2)n1 ZINC000087632218 179459830 /nfs/dbraw/zinc/45/98/30/179459830.db2.gz GWPDDHHODAGFDE-UHFFFAOYSA-N 1 0 254.403 2.334 10 0 CEAERO [NH3+]Cc1ccccc1CNc1nc(C2CC2)ns1 ZINC000087642515 179462380 /nfs/dbraw/zinc/46/23/80/179462380.db2.gz IKCFUQVDXUZXER-UHFFFAOYSA-N 1 0 260.366 2.486 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@H]1Nc1nc(C2CC2)ns1 ZINC000087642645 179462439 /nfs/dbraw/zinc/46/24/39/179462439.db2.gz PPKFOOJJLPOPDV-NXEZZACHSA-N 1 0 252.387 2.487 10 0 CEAERO CC[C@@H](C)n1ccc(C[C@H]([NH2+]C)C2CCOCC2)n1 ZINC000087811190 179489645 /nfs/dbraw/zinc/48/96/45/179489645.db2.gz YJWMERHJASBILW-DOMZBBRYSA-N 1 0 265.401 2.411 10 0 CEAERO C[C@@H]([NH3+])CCC[C@@H](C)C(=O)N=c1[nH]c2ccccc2[nH]1 ZINC000087702666 179473709 /nfs/dbraw/zinc/47/37/09/179473709.db2.gz YWVFZWXMHVLRQL-GHMZBOCLSA-N 1 0 274.368 2.077 10 0 CEAERO C[C@@H]1C[C@H]([NH3+])CN(C(=O)c2sccc2Cl)C1 ZINC000087722152 179477344 /nfs/dbraw/zinc/47/73/44/179477344.db2.gz LJFIGSIVNSYVMC-SFYZADRCSA-N 1 0 258.774 2.211 10 0 CEAERO CCN(Cc1ccc(OC)c(F)c1)C(=O)[C@@H](C[NH3+])C(C)C ZINC000087524533 179440803 /nfs/dbraw/zinc/44/08/03/179440803.db2.gz ATTLKIHNZBZQNM-ZDUSSCGKSA-N 1 0 296.386 2.414 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)NCCCOCc1ccccc1 ZINC000087531992 179441878 /nfs/dbraw/zinc/44/18/78/179441878.db2.gz OLEQPDKTJXWVGY-HNNXBMFYSA-N 1 0 278.396 2.085 10 0 CEAERO CCCOC(=O)c1ccc(NC(=O)[C@H](C[NH3+])C(C)C)cc1 ZINC000087532199 179441966 /nfs/dbraw/zinc/44/19/66/179441966.db2.gz FYBWMOAAMLNZPT-CQSZACIVSA-N 1 0 292.379 2.423 10 0 CEAERO CCC[NH2+]C1(CC(=O)OCC)Cc2ccccc2C1 ZINC000087551179 179445590 /nfs/dbraw/zinc/44/55/90/179445590.db2.gz SASKPRPEJJZSAW-UHFFFAOYSA-N 1 0 261.365 2.477 10 0 CEAERO C[NH2+]C1(CC(=O)NC[C@@]2(O)CCC[C@H](C)C2)CCCCC1 ZINC000087578090 179449143 /nfs/dbraw/zinc/44/91/43/179449143.db2.gz BALPBSIFNCVLNE-WMLDXEAASA-N 1 0 296.455 2.356 10 0 CEAERO Nc1ccc([C@@H]2COCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000616659979 348551744 /nfs/dbraw/zinc/55/17/44/348551744.db2.gz LUGDAFBCKVWKFH-INIZCTEOSA-N 1 0 283.375 2.110 10 0 CEAERO OCc1cccc([C@H]2C[NH2+]CCN2Cc2ccccc2)c1 ZINC000616637792 348542906 /nfs/dbraw/zinc/54/29/06/348542906.db2.gz YWKRJAYBTVQLPB-GOSISDBHSA-N 1 0 282.387 2.325 10 0 CEAERO CC[N@@H+]1CCOCC[C@H]1CCNC(=O)OC(C)(C)C ZINC000616660280 348552173 /nfs/dbraw/zinc/55/21/73/348552173.db2.gz WSOAOBIQPWPPMP-GFCCVEGCSA-N 1 0 272.389 2.012 10 0 CEAERO Nc1ccc([C@H]2CCOCC[N@@H+]2Cc2ccccc2)cn1 ZINC000616657536 348550709 /nfs/dbraw/zinc/55/07/09/348550709.db2.gz BQDSLZZMWBZKOF-MRXNPFEDSA-N 1 0 283.375 2.458 10 0 CEAERO CC(C)CN(CC(C)C)c1nc(NN)[nH+]cc1F ZINC000087864010 179505042 /nfs/dbraw/zinc/50/50/42/179505042.db2.gz RUCFGDBGJITJFF-UHFFFAOYSA-N 1 0 255.341 2.020 10 0 CEAERO CCC(CC)N(CCOC)c1cccc(NN)[nH+]1 ZINC000087866862 179505397 /nfs/dbraw/zinc/50/53/97/179505397.db2.gz VNDPHOYHDVBYQN-UHFFFAOYSA-N 1 0 252.362 2.009 10 0 CEAERO [NH3+]CCN1c2ccccc2NC[C@H]1c1cccc(CO)c1 ZINC000616584970 348527160 /nfs/dbraw/zinc/52/71/60/348527160.db2.gz NURXJIYQINHICX-KRWDZBQOSA-N 1 0 283.375 2.111 10 0 CEAERO c1ccc(C[N@@H+]2CCO[C@H](c3cncnc3)CC2)cc1 ZINC000616592301 348527429 /nfs/dbraw/zinc/52/74/29/348527429.db2.gz CYMSFMQJVGRQFW-INIZCTEOSA-N 1 0 269.348 2.440 10 0 CEAERO CCCCCCNc1cc(NN)[nH+]c(SC)n1 ZINC000087879646 179508605 /nfs/dbraw/zinc/50/86/05/179508605.db2.gz FJGZTRSXWUSBTG-UHFFFAOYSA-N 1 0 255.391 2.476 10 0 CEAERO [NH3+]CCN1CCC[C@@H](c2cnnc3ccccc32)CC1 ZINC000616602284 348531391 /nfs/dbraw/zinc/53/13/91/348531391.db2.gz WXHUBTMGKXNEPL-CYBMUJFWSA-N 1 0 270.380 2.158 10 0 CEAERO [NH3+]CCN1CCC[C@@H](c2cc3ccccc3nn2)CC1 ZINC000616601224 348531410 /nfs/dbraw/zinc/53/14/10/348531410.db2.gz MIFLYYLOZICNSS-CYBMUJFWSA-N 1 0 270.380 2.158 10 0 CEAERO Cc1cc(CNc2cc(C)[nH+]c(NN)n2)sc1C ZINC000087886268 179510917 /nfs/dbraw/zinc/51/09/17/179510917.db2.gz KLMPXSUKUSSSEO-UHFFFAOYSA-N 1 0 263.370 2.361 10 0 CEAERO CC(=O)Nc1cccc([C@@H]2CCCCN(CC[NH3+])C2)c1 ZINC000616605642 348532571 /nfs/dbraw/zinc/53/25/71/348532571.db2.gz RRZNXGKQDJPFLH-OAHLLOKOSA-N 1 0 275.396 2.173 10 0 CEAERO CN(CCc1cccs1)c1nc(NN)[nH+]cc1Cl ZINC000087893570 179515434 /nfs/dbraw/zinc/51/54/34/179515434.db2.gz QDTIVMRZMNYHCR-UHFFFAOYSA-N 1 0 283.788 2.156 10 0 CEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H](C(F)F)C1 ZINC000616620548 348537048 /nfs/dbraw/zinc/53/70/48/348537048.db2.gz LPLASVFAJLMVPS-SNVBAGLBSA-N 1 0 278.343 2.488 10 0 CEAERO [NH3+]CCN1CCC[C@@H](c2cc3ccccc3cn2)C1 ZINC000616620448 348537242 /nfs/dbraw/zinc/53/72/42/348537242.db2.gz KLYBMFVHOFEEHA-OAHLLOKOSA-N 1 0 255.365 2.373 10 0 CEAERO NNc1nc(Nc2ccc(F)cc2)c(Cl)c[nH+]1 ZINC000087896843 179515751 /nfs/dbraw/zinc/51/57/51/179515751.db2.gz QGYACYNXMGHRPZ-UHFFFAOYSA-N 1 0 253.668 2.298 10 0 CEAERO [NH3+]CCN1CCC[C@@H](c2ccc3cnccc3c2)C1 ZINC000616621206 348537486 /nfs/dbraw/zinc/53/74/86/348537486.db2.gz QCDFZLMRFXGHSH-MRXNPFEDSA-N 1 0 255.365 2.373 10 0 CEAERO Nc1cc[nH+]cc1C[C@@H](O)[C@H]1CCc2ccccc21 ZINC000088016129 179535833 /nfs/dbraw/zinc/53/58/33/179535833.db2.gz REMPIPSVWBNIGW-GOEBONIOSA-N 1 0 254.333 2.297 10 0 CEAERO C[NH2+][C@H](c1cccnc1N)[C@H]1COc2ccccc2C1 ZINC000088021548 179536221 /nfs/dbraw/zinc/53/62/21/179536221.db2.gz MSTYXAZVPQJOBL-DOMZBBRYSA-N 1 0 269.348 2.176 10 0 CEAERO Nc1cc(C[C@@H]([NH3+])[C@H]2CCc3ccccc32)ccn1 ZINC000088030177 179537104 /nfs/dbraw/zinc/53/71/04/179537104.db2.gz IYUQDHCHNRPONU-LSDHHAIUSA-N 1 0 253.349 2.264 10 0 CEAERO COCCC[C@@H](C[NH2+]CCOC)c1ccccc1 ZINC000088099567 179547439 /nfs/dbraw/zinc/54/74/39/179547439.db2.gz KLBVKNTYCYBWBT-HNNXBMFYSA-N 1 0 251.370 2.433 10 0 CEAERO COc1cc(C[NH2+]CCc2ccc3c(c2)CCO3)ccn1 ZINC000088102055 179548026 /nfs/dbraw/zinc/54/80/26/179548026.db2.gz OHPRXVKIBUPGEV-UHFFFAOYSA-N 1 0 284.359 2.357 10 0 CEAERO C[NH2+]C[C@@H]1CCN(c2c3nsnc3ccc2Cl)C1 ZINC000088120764 179552468 /nfs/dbraw/zinc/55/24/68/179552468.db2.gz VLNUSJNPLBYATA-QMMMGPOBSA-N 1 0 282.800 2.390 10 0 CEAERO [NH3+][C@H]1CCCc2c(OCc3ncccn3)cccc21 ZINC000088150834 179557278 /nfs/dbraw/zinc/55/72/78/179557278.db2.gz FAFWAQDGDMTMCK-ZDUSSCGKSA-N 1 0 255.321 2.392 10 0 CEAERO C[NH2+][C@H]1CCCc2c(O[C@@H](C)C(=O)NC3CC3)cccc21 ZINC000088151393 179557665 /nfs/dbraw/zinc/55/76/65/179557665.db2.gz JPUSBSYXERKTLM-NHYWBVRUSA-N 1 0 288.391 2.329 10 0 CEAERO CNC(=O)CCCOc1cccc2c1CCC[C@H]2[NH2+]C ZINC000088151869 179557991 /nfs/dbraw/zinc/55/79/91/179557991.db2.gz MWCPYUUSFDGXRM-CQSZACIVSA-N 1 0 276.380 2.188 10 0 CEAERO CCC[NH2+][C@@H]1CCCc2c(OC[C@H](O)COC)cccc21 ZINC000088152404 179557995 /nfs/dbraw/zinc/55/79/95/179557995.db2.gz VZGPZLMQWFYYQT-CZUORRHYSA-N 1 0 293.407 2.450 10 0 CEAERO CC(C)c1nsc(N2CCC([C@H](C)[NH3+])CC2)n1 ZINC000087642677 539653226 /nfs/dbraw/zinc/65/32/26/539653226.db2.gz KLCNFMNHGAYMGV-VIFPVBQESA-N 1 0 254.403 2.225 10 0 CEAERO CN(C(=O)OC(C)(C)C)[C@H]1COCC[N@@H+](C(C)(C)C)C1 ZINC000616661999 348552976 /nfs/dbraw/zinc/55/29/76/348552976.db2.gz YBHWAZCDSDVOCJ-GFCCVEGCSA-N 1 0 286.416 2.353 10 0 CEAERO c1ccc(C[N@@H+]2CCO[C@@H](c3ccncn3)CC2)cc1 ZINC000616663548 348554008 /nfs/dbraw/zinc/55/40/08/348554008.db2.gz SFIXWAIBHXPPIV-MRXNPFEDSA-N 1 0 269.348 2.440 10 0 CEAERO Nc1cccc([C@H]2CCc3ccccc3N2CC[NH3+])n1 ZINC000616668966 348555134 /nfs/dbraw/zinc/55/51/34/348555134.db2.gz LYSIODOZFHLKPI-OAHLLOKOSA-N 1 0 268.364 2.116 10 0 CEAERO CC(C)[N@@H+]1CCc2ccccc2[C@@H]1c1c[nH]nc1N ZINC000616679302 348557859 /nfs/dbraw/zinc/55/78/59/348557859.db2.gz TUWGNSNKMOMQIV-CQSZACIVSA-N 1 0 256.353 2.178 10 0 CEAERO OCC[N@@H+]1CCc2ccccc2[C@@H]1c1ccccn1 ZINC000616679655 348558429 /nfs/dbraw/zinc/55/84/29/348558429.db2.gz WRFYPBUPPNZYFW-MRXNPFEDSA-N 1 0 254.333 2.021 10 0 CEAERO CN(CCc1ccccc1)C[C@@](CO)([NH2+]C1CC1)C1CC1 ZINC000088244084 179569571 /nfs/dbraw/zinc/56/95/71/179569571.db2.gz JZOTVYCTRHNKTI-SFHVURJKSA-N 1 0 288.435 2.054 10 0 CEAERO CC[C@H](C[NH3+])CC(=O)NCc1ccc(Cl)s1 ZINC000087987473 179531236 /nfs/dbraw/zinc/53/12/36/179531236.db2.gz VDENMISIVAKUBT-QMMMGPOBSA-N 1 0 260.790 2.393 10 0 CEAERO CC[N@H+](CCOc1ccccc1OC)C[C@@H](C)C(N)=S ZINC000088401948 179594106 /nfs/dbraw/zinc/59/41/06/179594106.db2.gz XEONURQTWVHECQ-GFCCVEGCSA-N 1 0 296.436 2.318 10 0 CEAERO CCOc1ccccc1OCCC[C@@H](COC)[NH2+]C ZINC000088413344 179594458 /nfs/dbraw/zinc/59/44/58/179594458.db2.gz FEDKHBHZOOKALT-ZDUSSCGKSA-N 1 0 267.369 2.479 10 0 CEAERO CCC[NH2+][C@@](C)(CO)CN1CCC(C(F)(F)F)CC1 ZINC000088439689 179602461 /nfs/dbraw/zinc/60/24/61/179602461.db2.gz YQVXUTLASBJXPF-GFCCVEGCSA-N 1 0 282.350 2.011 10 0 CEAERO C[C@H]1Cc2ccccc2N1C(=O)[C@H]1C[NH2+]C[C@@H](C)C1 ZINC000088449209 179605413 /nfs/dbraw/zinc/60/54/13/179605413.db2.gz JSSSTMYTCHKHGB-SGMGOOAPSA-N 1 0 258.365 2.210 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000088449360 179605427 /nfs/dbraw/zinc/60/54/27/179605427.db2.gz PCWIWAUPOIZXRY-RYUDHWBXSA-N 1 0 290.363 2.032 10 0 CEAERO C[NH2+][C@@H](Cn1c(=O)oc2cccnc21)c1ccccc1C ZINC000088396898 179591052 /nfs/dbraw/zinc/59/10/52/179591052.db2.gz SCCGWRJEKGTDMR-ZDUSSCGKSA-N 1 0 283.331 2.259 10 0 CEAERO CCC[NH2+]C[C@H]1OCCN(C)[C@@H]1c1cccc(COC)c1 ZINC000088553158 179622409 /nfs/dbraw/zinc/62/24/09/179622409.db2.gz CLWGJVIKPCCSEG-IAGOWNOFSA-N 1 0 292.423 2.204 10 0 CEAERO CCC[NH2+][C@H](Cc1ncnn1C)c1cccc(OC)c1 ZINC000088581628 179629737 /nfs/dbraw/zinc/62/97/37/179629737.db2.gz HHFHOUFZIIGRES-CQSZACIVSA-N 1 0 274.368 2.107 10 0 CEAERO CCCC[C@](CC)(C[NH2+]CCOC)Cc1ncnn1C ZINC000088583241 179629995 /nfs/dbraw/zinc/62/99/95/179629995.db2.gz WDXMDPRQJWKMHE-HNNXBMFYSA-N 1 0 282.432 2.180 10 0 CEAERO CCCn1ncnc1COc1ccc([C@@H](C)[NH3+])cc1 ZINC000088585311 179630825 /nfs/dbraw/zinc/63/08/25/179630825.db2.gz KFQKIMPTSXUUDK-LLVKDONJSA-N 1 0 260.341 2.287 10 0 CEAERO CC[NH2+][C@@H](C)[C@H]1CCCCN1Cc1ncnn1C(C)C ZINC000088584839 179630865 /nfs/dbraw/zinc/63/08/65/179630865.db2.gz XWXPYTPQBZXKRR-UONOGXRCSA-N 1 0 279.432 2.212 10 0 CEAERO C[NH2+][C@@H](Cc1ncnn1C(C)C)c1ccc(OC)cc1 ZINC000088609829 179637323 /nfs/dbraw/zinc/63/73/23/179637323.db2.gz VFSXIKDJIJPNLV-AWEZNQCLSA-N 1 0 274.368 2.371 10 0 CEAERO CC(C)Cn1ncnc1C[C@@H]1[NH2+]CCc2ccccc21 ZINC000088612410 179639423 /nfs/dbraw/zinc/63/94/23/179639423.db2.gz VTYLWSWRFTXGEV-HNNXBMFYSA-N 1 0 270.380 2.364 10 0 CEAERO CC(C)[NH2+]CC1(Cc2ncnn2C(C)C)CCOCC1 ZINC000088621746 179641065 /nfs/dbraw/zinc/64/10/65/179641065.db2.gz JQPMYEVVXRWEGX-UHFFFAOYSA-N 1 0 280.416 2.196 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C(C)C)CN1Cc1ncnn1C(C)C ZINC000088624866 179641803 /nfs/dbraw/zinc/64/18/03/179641803.db2.gz CZNPTULDMVPAHA-UONOGXRCSA-N 1 0 279.432 2.067 10 0 CEAERO CCN1CCCC[C@@H]([NH3+])[C@@H]1c1cn2ccccc2n1 ZINC000088628214 179644109 /nfs/dbraw/zinc/64/41/09/179644109.db2.gz SVYWBYILVMGMTM-IUODEOHRSA-N 1 0 258.369 2.209 10 0 CEAERO CCc1nc(CC)n([C@@H](c2ccccc2OC)[C@@H](C)[NH3+])n1 ZINC000088739599 179661388 /nfs/dbraw/zinc/66/13/88/179661388.db2.gz UQTMKNNLOXIEPW-BDJLRTHQSA-N 1 0 288.395 2.348 10 0 CEAERO CCc1nc(CC)n([C@H](c2ccccc2F)[C@H](C)[NH3+])n1 ZINC000088739992 179662290 /nfs/dbraw/zinc/66/22/90/179662290.db2.gz VAGKARWZOMWILU-BONVTDFDSA-N 1 0 276.359 2.479 10 0 CEAERO CCCNS(=O)(=O)c1cc(C[NH2+]CCC)n(C2CC2)c1 ZINC000088976113 179688075 /nfs/dbraw/zinc/68/80/75/179688075.db2.gz JRWLEYPYUYONRR-UHFFFAOYSA-N 1 0 299.440 2.011 10 0 CEAERO CC[C@@H](C)NS(=O)(=O)c1cc(Cl)cc(C[NH3+])c1F ZINC000088978402 179689729 /nfs/dbraw/zinc/68/97/29/179689729.db2.gz DOJCACZDIGSLSA-SSDOTTSWSA-N 1 0 294.779 2.015 10 0 CEAERO CCCCN([C@@H](C)CC)S(=O)(=O)CCCC[NH2+]C ZINC000089006067 179691023 /nfs/dbraw/zinc/69/10/23/179691023.db2.gz UYNIJYLAYYZERO-ZDUSSCGKSA-N 1 0 278.462 2.216 10 0 CEAERO C[NH2+]CCCc1nnc([C@H]2COc3ccccc3C2)s1 ZINC000088811660 179676452 /nfs/dbraw/zinc/67/64/52/179676452.db2.gz CBWZGHDFYGESFK-GFCCVEGCSA-N 1 0 289.404 2.409 10 0 CEAERO C[NH2+]CCCc1nnc(-c2c(OC)cccc2OC)s1 ZINC000088811641 179676501 /nfs/dbraw/zinc/67/65/01/179676501.db2.gz AFFZCPLZSGNWPF-UHFFFAOYSA-N 1 0 293.392 2.374 10 0 CEAERO c1cc2c(c(-c3nnc(C[NH2+]C4CC4)s3)c1)OCCO2 ZINC000088815202 179677296 /nfs/dbraw/zinc/67/72/96/179677296.db2.gz VUHYDAIPBSTPDT-UHFFFAOYSA-N 1 0 289.360 2.228 10 0 CEAERO CC[NH2+]Cc1ccc(CC)c(S(=O)(=O)N[C@@H]2C[C@H]2C)c1 ZINC000089024362 179692463 /nfs/dbraw/zinc/69/24/63/179692463.db2.gz AHQIVNZYCQRDKK-BXUZGUMPSA-N 1 0 296.436 2.045 10 0 CEAERO CN(C(=O)c1ccc(F)cc1F)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089110548 179705182 /nfs/dbraw/zinc/70/51/82/179705182.db2.gz NXLNYCYQCJIBKS-TVQRCGJNSA-N 1 0 268.307 2.164 10 0 CEAERO CC(C)(C)c1ccc(S[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000104237264 185939867 /nfs/dbraw/zinc/93/98/67/185939867.db2.gz TZFQUQWQQVWIBN-OLZOCXBDSA-N 1 0 251.395 2.409 10 0 CEAERO CCCOc1cncc(N(CC)[C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000089116937 179711351 /nfs/dbraw/zinc/71/13/51/179711351.db2.gz BZLOBNKTUAUKQS-CHWSQXEVSA-N 1 0 278.400 2.219 10 0 CEAERO Cc1nnc(Sc2c(C[NH2+]C3CC3)c(C)nn2C)s1 ZINC000104290922 185956819 /nfs/dbraw/zinc/95/68/19/185956819.db2.gz FCLDKKUTKPZRIW-UHFFFAOYSA-N 1 0 295.437 2.292 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)N2CC[C@H](C[NH+](C)C)C2)o1 ZINC000129343848 187425225 /nfs/dbraw/zinc/42/52/25/187425225.db2.gz VQACJDANKGTJHN-QWHCGFSZSA-N 1 0 279.384 2.242 10 0 CEAERO CCn1nc(C)cc1COc1cccc(F)c1C[NH3+] ZINC000089180727 179744581 /nfs/dbraw/zinc/74/45/81/179744581.db2.gz NYCYBYLHWYXFDD-UHFFFAOYSA-N 1 0 263.316 2.388 10 0 CEAERO COc1ccc(OCc2c(Cl)c(C)nn2C)c(C[NH3+])c1 ZINC000089231304 179758757 /nfs/dbraw/zinc/75/87/57/179758757.db2.gz FRXIKIZYLLUWQY-UHFFFAOYSA-N 1 0 295.770 2.428 10 0 CEAERO CC[NH2+]C[C@H]1CCCN(Cc2c(Cl)c(C)nn2C)C1 ZINC000089234471 179759336 /nfs/dbraw/zinc/75/93/36/179759336.db2.gz QFIJNNSQRDZXKN-GFCCVEGCSA-N 1 0 284.835 2.203 10 0 CEAERO CO[C@H](C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400764638 233180590 /nfs/dbraw/zinc/18/05/90/233180590.db2.gz ZCJGKDZOQANDKY-AGIUHOORSA-N 1 0 286.416 2.256 10 0 CEAERO C[C@H]1C[C@@H](O)C[N@H+](CCCOCc2ccccc2)C1 ZINC000401715645 233185414 /nfs/dbraw/zinc/18/54/14/233185414.db2.gz WKEVFBYPEPMQCB-GOEBONIOSA-N 1 0 263.381 2.296 10 0 CEAERO Cc1cc(C[C@@H]([NH3+])Cc2cc(C)cc(C)c2)n(C)n1 ZINC000089194209 179750070 /nfs/dbraw/zinc/75/00/70/179750070.db2.gz WVCLNHSLBFQNKO-HNNXBMFYSA-N 1 0 257.381 2.458 10 0 CEAERO CCC[NH2+][C@H](Cc1cc(C)nn1C)C1CCOCC1 ZINC000089199487 179752295 /nfs/dbraw/zinc/75/22/95/179752295.db2.gz IIFLMDFAFZUUHU-OAHLLOKOSA-N 1 0 265.401 2.066 10 0 CEAERO CCN(Cc1ccc(OC)cc1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089457103 539717453 /nfs/dbraw/zinc/71/74/53/539717453.db2.gz CAAGPWXHGXKCCU-HOCLYGCPSA-N 1 0 290.407 2.419 10 0 CEAERO CCN(Cc1ccc(OC)cc1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089457099 539717551 /nfs/dbraw/zinc/71/75/51/539717551.db2.gz CAAGPWXHGXKCCU-ZBFHGGJFSA-N 1 0 290.407 2.419 10 0 CEAERO CN(CC1CCCCC1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089457325 539717590 /nfs/dbraw/zinc/71/75/90/539717590.db2.gz SIPYICRDCFZWFG-KGLIPLIRSA-N 1 0 252.402 2.400 10 0 CEAERO C[NH2+]C[C@@H](Cc1cc(C)nn1C)Cc1ccccc1F ZINC000089205921 179754046 /nfs/dbraw/zinc/75/40/46/179754046.db2.gz QMZXJVSHWPKDMC-CYBMUJFWSA-N 1 0 275.371 2.488 10 0 CEAERO COCC[NH2+]CC1(Cc2cc(C)nn2C)CCCC1 ZINC000089206111 179754068 /nfs/dbraw/zinc/75/40/68/179754068.db2.gz VOXVPIJFUPQUQB-UHFFFAOYSA-N 1 0 265.401 2.067 10 0 CEAERO CCc1cc(C[C@@]2(C[NH2+]C3CC3)CCOC2)n(CC)n1 ZINC000089206385 179754162 /nfs/dbraw/zinc/75/41/62/179754162.db2.gz PVVCLYLLRWFELX-MRXNPFEDSA-N 1 0 277.412 2.167 10 0 CEAERO CCc1cc(CN2CC[NH2+]C[C@H]2[C@@H](C)CC)n(CC)n1 ZINC000089208666 179754728 /nfs/dbraw/zinc/75/47/28/179754728.db2.gz DSCAELZDARCGFX-BBRMVZONSA-N 1 0 278.444 2.285 10 0 CEAERO CCc1cc(CN2C[C@@H](C3CC3)[NH2+]C[C@@H]2C)n(CC)n1 ZINC000089210950 179755748 /nfs/dbraw/zinc/75/57/48/179755748.db2.gz FYSAGRPLFKQELS-LRDDRELGSA-N 1 0 276.428 2.038 10 0 CEAERO CC[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089463045 539718931 /nfs/dbraw/zinc/71/89/31/539718931.db2.gz QEJILQUSNFAIJU-MCIONIFRSA-N 1 0 252.402 2.400 10 0 CEAERO CCn1nc(C)c(Cl)c1C[C@H]([NH3+])C1CCOCC1 ZINC000089297979 179766633 /nfs/dbraw/zinc/76/66/33/179766633.db2.gz VMHYLAPFJUSBDF-NSHDSACASA-N 1 0 271.792 2.161 10 0 CEAERO CN(Cc1ccco1)C(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089387944 179778391 /nfs/dbraw/zinc/77/83/91/179778391.db2.gz QLJAUZLNUQUUHE-YPMHNXCESA-N 1 0 250.342 2.003 10 0 CEAERO Cc1nc(Cc2noc([C@H]3CCC[C@H]3C[NH3+])n2)cs1 ZINC000089431226 179787219 /nfs/dbraw/zinc/78/72/19/179787219.db2.gz XCJLVMKIEHULKB-ONGXEEELSA-N 1 0 278.381 2.268 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1ccc2[nH]ccc2c1 ZINC000089459495 179795431 /nfs/dbraw/zinc/79/54/31/179795431.db2.gz ZTISSIWCNZNXGI-AAEUAGOBSA-N 1 0 257.337 2.481 10 0 CEAERO COc1ccc(N(C)C(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089461196 179795793 /nfs/dbraw/zinc/79/57/93/179795793.db2.gz XMRXCSHBFJUVPM-BXUZGUMPSA-N 1 0 262.353 2.033 10 0 CEAERO CN(C(=O)[C@H]1CCC[C@H]1C[NH3+])c1cccc(F)c1 ZINC000089461278 179795852 /nfs/dbraw/zinc/79/58/52/179795852.db2.gz BJYSCIXVNKCULC-GWCFXTLKSA-N 1 0 250.317 2.164 10 0 CEAERO CC(C)c1nc(COC[C@@H]2CCCC[C@@H]2C[NH3+])no1 ZINC000089535233 179812337 /nfs/dbraw/zinc/81/23/37/179812337.db2.gz OAWOLQHJMFKDBT-NEPJUHHUSA-N 1 0 267.373 2.475 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1CNC(=O)c1cc(F)cc(F)c1 ZINC000089500778 179805103 /nfs/dbraw/zinc/80/51/03/179805103.db2.gz LXNWBRIQBWFCRC-ZJUUUORDSA-N 1 0 268.307 2.070 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1CNC(=O)Nc1ccc(F)cc1 ZINC000089500839 179805420 /nfs/dbraw/zinc/80/54/20/179805420.db2.gz SLXQVFATPLJVMW-GHMZBOCLSA-N 1 0 265.332 2.322 10 0 CEAERO CCN(C[C@]1(C[NH3+])CCCOC1)c1cccc(F)c1 ZINC000104314453 185965738 /nfs/dbraw/zinc/96/57/38/185965738.db2.gz NYBALRVZVOKAFU-OAHLLOKOSA-N 1 0 266.360 2.408 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(F)c(F)c1 ZINC000089531100 179811015 /nfs/dbraw/zinc/81/10/15/179811015.db2.gz URPOFLIYJPSNDM-NWDGAFQWSA-N 1 0 282.334 2.460 10 0 CEAERO [NH3+]CCc1nc2ccccc2n1-c1ccc(F)cn1 ZINC000104330964 185971078 /nfs/dbraw/zinc/97/10/78/185971078.db2.gz GUNBSEFLQOSZBF-UHFFFAOYSA-N 1 0 256.284 2.061 10 0 CEAERO CCN(C(=O)Cc1ccc(Cl)cc1)[C@H]1CCC[NH2+]C1 ZINC000104329597 185971798 /nfs/dbraw/zinc/97/17/98/185971798.db2.gz ZWBFEFRKIKGOPU-AWEZNQCLSA-N 1 0 280.799 2.483 10 0 CEAERO CC(C)(C)c1csc(NC(=O)C[C@H]2CC[NH2+]C2)n1 ZINC000089747270 179859435 /nfs/dbraw/zinc/85/94/35/179859435.db2.gz BWPMJGGOZHCPPU-SECBINFHSA-N 1 0 267.398 2.379 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(C)cc1O[C@H](C)C(=O)NC ZINC000104335288 185974122 /nfs/dbraw/zinc/97/41/22/185974122.db2.gz MPYPGNOIGKZSOW-NWDGAFQWSA-N 1 0 264.369 2.179 10 0 CEAERO CCOc1cc2c(cc1CN(CC)C1C[NH2+]C1)O[C@H](C)C2 ZINC000090290746 179950491 /nfs/dbraw/zinc/95/04/91/179950491.db2.gz NKVFBCUHUAUOSL-GFCCVEGCSA-N 1 0 290.407 2.202 10 0 CEAERO CCN(Cc1cc(-c2ccc(C)cc2)no1)C1C[NH2+]C1 ZINC000090291874 179951321 /nfs/dbraw/zinc/95/13/21/179951321.db2.gz KNURNODEZRFIEG-UHFFFAOYSA-N 1 0 271.364 2.444 10 0 CEAERO CCCCN(C(=O)COC1CC[NH2+]CC1)[C@H](C)CC ZINC000104390783 185989853 /nfs/dbraw/zinc/98/98/53/185989853.db2.gz QWXVTIDDMWBFFU-CYBMUJFWSA-N 1 0 270.417 2.182 10 0 CEAERO CCc1ccc(N(C)[C@](C)(C[NH3+])CC(OC)OC)cc1 ZINC000090265955 179942340 /nfs/dbraw/zinc/94/23/40/179942340.db2.gz UGVCIMDZRJIZCF-INIZCTEOSA-N 1 0 280.412 2.412 10 0 CEAERO C[C@@H]([NH3+])CCSCC(=O)Nc1cccc(F)c1 ZINC000090346579 179970701 /nfs/dbraw/zinc/97/07/01/179970701.db2.gz MPIUZQCEKUQURW-SECBINFHSA-N 1 0 256.346 2.235 10 0 CEAERO C[C@@H](C[NH3+])CSC[C@@H]1COc2ccccc2O1 ZINC000090350022 179972316 /nfs/dbraw/zinc/97/23/16/179972316.db2.gz ZBAWELOZVDOVTO-QWRGUYRKSA-N 1 0 253.367 2.154 10 0 CEAERO CC[C@H]([NH3+])CSCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000090357154 179975671 /nfs/dbraw/zinc/97/56/71/179975671.db2.gz BCPOYLUMGYAPGK-LBPRGKRZSA-N 1 0 280.393 2.298 10 0 CEAERO CCn1c2ccc(Cl)cc2nc1[C@@H]1COC[C@@H]1[NH3+] ZINC000090363723 179977799 /nfs/dbraw/zinc/97/77/99/179977799.db2.gz LMBYEDVPBWZPED-ZJUUUORDSA-N 1 0 265.744 2.151 10 0 CEAERO CC[NH2+][C@H]1COC[C@H]1C(=O)OCc1cccc(Cl)c1 ZINC000090478160 179990670 /nfs/dbraw/zinc/99/06/70/179990670.db2.gz XOYJMJDXANWOMK-OLZOCXBDSA-N 1 0 283.755 2.008 10 0 CEAERO CC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1cccc(Cl)c1C ZINC000090487289 179991396 /nfs/dbraw/zinc/99/13/96/179991396.db2.gz JKVCGXAHJKJYPY-ZWNOBZJWSA-N 1 0 282.771 2.211 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)N(C)[C@@H](C)c1ccccc1 ZINC000090541765 180000216 /nfs/dbraw/zinc/00/02/16/180000216.db2.gz HWRAPKZOSFFSAA-NUEKZKHPSA-N 1 0 290.407 2.221 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1cccc(C)c1C ZINC000090539164 180000342 /nfs/dbraw/zinc/00/03/42/180000342.db2.gz XLUARFLUVHJHRJ-DZGCQCFKSA-N 1 0 276.380 2.257 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1cc(C)ccc1F ZINC000090539628 180000492 /nfs/dbraw/zinc/00/04/92/180000492.db2.gz CXNOONTZGIDLOM-BXUZGUMPSA-N 1 0 280.343 2.087 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000090538875 180000507 /nfs/dbraw/zinc/00/05/07/180000507.db2.gz KRLCXWRGEQXLAI-STQMWFEESA-N 1 0 282.771 2.293 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)N1CCC(C)(CC)CC1 ZINC000090545164 180001009 /nfs/dbraw/zinc/00/10/09/180001009.db2.gz ARXHETVPNCGPNY-KGLIPLIRSA-N 1 0 282.428 2.040 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1CN(C)Cc1ccc(C)o1 ZINC000090566134 180006011 /nfs/dbraw/zinc/00/60/11/180006011.db2.gz XVXQRAHXYICIPR-DZGCQCFKSA-N 1 0 266.385 2.034 10 0 CEAERO C[C@]1(c2nc(-c3cccc(Cl)c3)no2)COC[C@H]1[NH3+] ZINC000090573289 180007413 /nfs/dbraw/zinc/00/74/13/180007413.db2.gz JEQHBEYUJCRTPO-MFKMUULPSA-N 1 0 279.727 2.005 10 0 CEAERO CC(C)n1c2cccc(F)c2nc1[C@]1(C)COC[C@@H]1[NH3+] ZINC000090571792 180007809 /nfs/dbraw/zinc/00/78/09/180007809.db2.gz ZYXAKPIRSPSOFH-SWLSCSKDSA-N 1 0 277.343 2.372 10 0 CEAERO C[C@]1(c2nc(C3CCC(C)(C)CC3)no2)COC[C@H]1[NH3+] ZINC000090574148 180008585 /nfs/dbraw/zinc/00/85/85/180008585.db2.gz LRDLBOJYFTTWNG-ABAIWWIYSA-N 1 0 279.384 2.369 10 0 CEAERO C[C@]1(C(=O)Nc2cccc3ccccc32)COC[C@@H]1[NH3+] ZINC000090580167 180008827 /nfs/dbraw/zinc/00/88/27/180008827.db2.gz ZVTDARXZFUDHBB-HOCLYGCPSA-N 1 0 270.332 2.142 10 0 CEAERO CC(C)c1ccc([C@H](C)NC(=O)[C@@]2(C)COC[C@@H]2[NH3+])cc1 ZINC000090587307 180009484 /nfs/dbraw/zinc/00/94/84/180009484.db2.gz VXWITUFDIWHHTP-NUTKFTJISA-N 1 0 290.407 2.351 10 0 CEAERO CCCCN(C(=O)[C@@]1(C)COC[C@@H]1[NH3+])c1ccccc1 ZINC000090605518 180011254 /nfs/dbraw/zinc/01/12/54/180011254.db2.gz FOONSCUUOZIMJH-HOCLYGCPSA-N 1 0 276.380 2.184 10 0 CEAERO COC(C[C@@H](C[NH3+])N(C)[C@@H](C)c1cccs1)OC ZINC000090625192 180015894 /nfs/dbraw/zinc/01/58/94/180015894.db2.gz ZAVBOQHFDVATOR-QWRGUYRKSA-N 1 0 272.414 2.077 10 0 CEAERO CC(C)CC(=O)N1CCCSC[C@@H]1C[NH+]1CCCC1 ZINC000090700526 180027885 /nfs/dbraw/zinc/02/78/85/180027885.db2.gz UGFVPKRWUJJWLA-AWEZNQCLSA-N 1 0 284.469 2.462 10 0 CEAERO Cc1ccncc1[C@H]([NH3+])[C@@H]1COc2ccccc2O1 ZINC000090710174 180027899 /nfs/dbraw/zinc/02/78/99/180027899.db2.gz DRLRPVWTCOLLDA-GJZGRUSLSA-N 1 0 256.305 2.230 10 0 CEAERO CCOc1cc(N(CCC[NH3+])C2CCCCC2)ncn1 ZINC000090784251 180039653 /nfs/dbraw/zinc/03/96/53/180039653.db2.gz WXFVBMVIFWIYOZ-UHFFFAOYSA-N 1 0 278.400 2.363 10 0 CEAERO CCCOc1cc(N(CCC)[C@@H]2CCC[NH2+]C2)ncn1 ZINC000090785215 180039920 /nfs/dbraw/zinc/03/99/20/180039920.db2.gz KQCGKDQGCOIFBR-CYBMUJFWSA-N 1 0 278.400 2.234 10 0 CEAERO CCCOc1cc(NC[C@@H]2CCCC[C@H]2[NH3+])ncn1 ZINC000090785731 180040174 /nfs/dbraw/zinc/04/01/74/180040174.db2.gz YWQYFTPBDBVVIZ-NWDGAFQWSA-N 1 0 264.373 2.195 10 0 CEAERO CCOc1cc(OC[C@@H]2CCCC[C@H]2C[NH3+])ncn1 ZINC000090784575 180040228 /nfs/dbraw/zinc/04/02/28/180040228.db2.gz LWEYGVFJFCHCTR-RYUDHWBXSA-N 1 0 265.357 2.019 10 0 CEAERO CC(C)Oc1cc(NC[C@@H]2CCCC[C@H]2[NH3+])ncn1 ZINC000090786662 180040566 /nfs/dbraw/zinc/04/05/66/180040566.db2.gz ZMEPFQQMZQWNTD-NWDGAFQWSA-N 1 0 264.373 2.193 10 0 CEAERO CC(C)Oc1cc(NC[C@H]2CCCC[C@@H]2[NH3+])ncn1 ZINC000090786661 180040657 /nfs/dbraw/zinc/04/06/57/180040657.db2.gz ZMEPFQQMZQWNTD-NEPJUHHUSA-N 1 0 264.373 2.193 10 0 CEAERO CC(C)[NH2+]C[C@@H]1CCCN1c1cc(OC(C)C)ncn1 ZINC000090786375 180040763 /nfs/dbraw/zinc/04/07/63/180040763.db2.gz PLRUYZXXQDQXIF-ZDUSSCGKSA-N 1 0 278.400 2.231 10 0 CEAERO CCOc1ncnc(N[C@H]2c3ccccc3C[C@@H]2[NH3+])c1C ZINC000090790144 180041827 /nfs/dbraw/zinc/04/18/27/180041827.db2.gz QKLSOWXMBHJUBW-KBPBESRZSA-N 1 0 284.363 2.220 10 0 CEAERO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1cscn1 ZINC000104445007 186005207 /nfs/dbraw/zinc/00/52/07/186005207.db2.gz DEBQNUBKESBQTP-VGPLMAKISA-N 1 0 251.399 2.248 10 0 CEAERO CCOc1ncnc(NC[C@@H](C)C[NH+]2CCCC2)c1C ZINC000090791369 180042836 /nfs/dbraw/zinc/04/28/36/180042836.db2.gz IRPFXNFOIUSBPW-GFCCVEGCSA-N 1 0 278.400 2.328 10 0 CEAERO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H](C)[S@](C)=O)c1 ZINC000090842180 180043715 /nfs/dbraw/zinc/04/37/15/180043715.db2.gz XFSKMMNKZCJEJH-RMDKCXRXSA-N 1 0 282.409 2.063 10 0 CEAERO C[NH2+][C@@H]1C[C@H](Oc2cc(OC)cc(OC)c2)C1(C)C ZINC000090861677 180047053 /nfs/dbraw/zinc/04/70/53/180047053.db2.gz YEVAVWGJNIJMJZ-KGLIPLIRSA-N 1 0 265.353 2.469 10 0 CEAERO CC(C)C[NH2+]Cc1cccc(S[C@H](C)C(N)=O)c1 ZINC000090873002 180049826 /nfs/dbraw/zinc/04/98/26/180049826.db2.gz QCTSNMJWBRXXLI-LLVKDONJSA-N 1 0 266.410 2.398 10 0 CEAERO CN(C[C@H]1Cc2ccccc2O1)C1(C[NH3+])CCCC1 ZINC000090874032 180050195 /nfs/dbraw/zinc/05/01/95/180050195.db2.gz UXLCSHCBVMJGAW-CQSZACIVSA-N 1 0 260.381 2.193 10 0 CEAERO CC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090874992 180050662 /nfs/dbraw/zinc/05/06/62/180050662.db2.gz LQYRLHNSXQXRFX-GJZGRUSLSA-N 1 0 259.349 2.434 10 0 CEAERO c1ccc2c(c1)C[C@H](CN1CCC[C@@H]1C[NH2+]C1CC1)O2 ZINC000090875360 180051022 /nfs/dbraw/zinc/05/10/22/180051022.db2.gz SQYNORSSTOOKAO-HZPDHXFCSA-N 1 0 272.392 2.207 10 0 CEAERO CN(C[C@H]1Cc2ccccc2O1)c1cc[nH+]cc1N ZINC000090875429 180051171 /nfs/dbraw/zinc/05/11/71/180051171.db2.gz QXJUBYDRLWABNW-GFCCVEGCSA-N 1 0 255.321 2.104 10 0 CEAERO CCCN(C[C@H]1Cc2ccccc2O1)[C@@H]1CC[NH2+]C1 ZINC000090876253 180051361 /nfs/dbraw/zinc/05/13/61/180051361.db2.gz AJKHLYQMDBAFCD-HUUCEWRRSA-N 1 0 260.381 2.064 10 0 CEAERO COC(=O)C[C@@H]1CCCC[N@@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090876766 180052318 /nfs/dbraw/zinc/05/23/18/180052318.db2.gz NAHXPKPFWRRART-GJZGRUSLSA-N 1 0 289.375 2.408 10 0 CEAERO C[C@H](CN1CCCC1)[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892386 180053557 /nfs/dbraw/zinc/05/35/57/180053557.db2.gz SCLHPBYAPPIUIR-DOMZBBRYSA-N 1 0 278.371 2.203 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[NH2+]C[C@@H]1CCCC[C@@H]1O)O2 ZINC000090898184 180056683 /nfs/dbraw/zinc/05/66/83/180056683.db2.gz PXHJLTBXNYQNAQ-IMJJTQAJSA-N 1 0 275.392 2.439 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C)CN1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090896147 180057010 /nfs/dbraw/zinc/05/70/10/180057010.db2.gz DKIOUADAFXJWQU-DFBGVHRSSA-N 1 0 278.371 2.202 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](C[NH2+][C@@H](C)Cn1ccnc1)O2 ZINC000090897655 180057015 /nfs/dbraw/zinc/05/70/15/180057015.db2.gz IAIOLDDDXOLUDB-ZFWWWQNUSA-N 1 0 271.364 2.173 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[NH2+][C@@H](C)Cn1ccnc1)O2 ZINC000090897654 180057129 /nfs/dbraw/zinc/05/71/29/180057129.db2.gz IAIOLDDDXOLUDB-DZGCQCFKSA-N 1 0 271.364 2.173 10 0 CEAERO CC(C)C[C@H]1C[NH2+]CCN1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090896146 180057176 /nfs/dbraw/zinc/05/71/76/180057176.db2.gz PZRRKHLJMRZBEC-HOTGVXAUSA-N 1 0 292.398 2.449 10 0 CEAERO Cc1ccc2c(c1)C[C@H](CN(CCC(N)=[NH2+])C1CC1)O2 ZINC000090898689 180058005 /nfs/dbraw/zinc/05/80/05/180058005.db2.gz NDUQHSQVSVCKLQ-CQSZACIVSA-N 1 0 273.380 2.089 10 0 CEAERO OC1CC[NH+](C[C@@H]2Cc3cc(Cl)ccc3O2)CC1 ZINC000090900890 180058677 /nfs/dbraw/zinc/05/86/77/180058677.db2.gz GQVLJDUZLJJTDC-ZDUSSCGKSA-N 1 0 267.756 2.100 10 0 CEAERO CC[C@H]([NH3+])Cc1nccn1C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090901597 180058830 /nfs/dbraw/zinc/05/88/30/180058830.db2.gz CHBDCKXZAYMWSO-GJZGRUSLSA-N 1 0 285.391 2.475 10 0 CEAERO Cc1ccc2c(c1)C[C@H](CN1CC[NH2+]C[C@@H]1C(C)C)O2 ZINC000090902449 180059747 /nfs/dbraw/zinc/05/97/47/180059747.db2.gz GJUJWNUXERFCFE-HZPDHXFCSA-N 1 0 274.408 2.228 10 0 CEAERO CCC[NH2+][C@H](CN1C[C@H]2CC[C@@H](C1)O2)C(C)(C)C ZINC000090906050 180060743 /nfs/dbraw/zinc/06/07/43/180060743.db2.gz JIGJPFWZQVTNGP-HZSPNIEDSA-N 1 0 254.418 2.264 10 0 CEAERO Nc1nc2ccccc2cc1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000090907386 180061119 /nfs/dbraw/zinc/06/11/19/180061119.db2.gz AIZHMKXSAQROTE-OKILXGFUSA-N 1 0 269.348 2.180 10 0 CEAERO Cc1ccccc1[C@@H](O)CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907683 180061613 /nfs/dbraw/zinc/06/16/13/180061613.db2.gz VONMJYNPOKRBQV-LZWOXQAQSA-N 1 0 261.365 2.282 10 0 CEAERO CC1CCC(CO)(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000090907670 180062094 /nfs/dbraw/zinc/06/20/94/180062094.db2.gz JSQWIBPYYKDHJX-HFDVOGEKSA-N 1 0 253.386 2.038 10 0 CEAERO [NH3+][C@H](CCN1C[C@H]2CC[C@@H](C1)O2)c1ccc(F)cc1 ZINC000090907474 180062207 /nfs/dbraw/zinc/06/22/07/180062207.db2.gz QYTHJICAFRAKFX-QLFBSQMISA-N 1 0 264.344 2.079 10 0 CEAERO CC(C)(C)Cc1noc(-c2csc(C[NH3+])n2)n1 ZINC000090933571 180066468 /nfs/dbraw/zinc/06/64/68/180066468.db2.gz FVLUQCZMTBPKHF-UHFFFAOYSA-N 1 0 252.343 2.240 10 0 CEAERO CN(Cc1csc(CC[NH3+])n1)c1ccccc1F ZINC000090958481 180075082 /nfs/dbraw/zinc/07/50/82/180075082.db2.gz JRJWSKWVDKSMKQ-UHFFFAOYSA-N 1 0 265.357 2.420 10 0 CEAERO COCC1CCN(Cc2csc([C@H](C)[NH3+])n2)CC1 ZINC000090958696 180075193 /nfs/dbraw/zinc/07/51/93/180075193.db2.gz AHPHZMWGJBBPIH-JTQLQIEISA-N 1 0 269.414 2.021 10 0 CEAERO CC(C)C[C@@H](C[NH2+]Cc1sccc1N)N1CCOCC1 ZINC000090959189 180075760 /nfs/dbraw/zinc/07/57/60/180075760.db2.gz QIYOTCWNTIZMFO-ZDUSSCGKSA-N 1 0 297.468 2.167 10 0 CEAERO Nc1ccccc1C[NH2+][C@H]1CCC[C@H]1n1ccnc1 ZINC000090961942 180075955 /nfs/dbraw/zinc/07/59/55/180075955.db2.gz DCGGDHLBLQQWJY-LSDHHAIUSA-N 1 0 256.353 2.349 10 0 CEAERO CC[C@H](COC)[NH2+]Cc1sccc1NC(C)=O ZINC000090960772 180076274 /nfs/dbraw/zinc/07/62/74/180076274.db2.gz RTOLSHGOFMAXDG-SNVBAGLBSA-N 1 0 256.371 2.221 10 0 CEAERO CC(=O)Nc1ccccc1C[NH2+][C@H](C)CN1CCCC1 ZINC000090962383 180077474 /nfs/dbraw/zinc/07/74/74/180077474.db2.gz VECFAYPCGQEYSI-CYBMUJFWSA-N 1 0 275.396 2.219 10 0 CEAERO [NH3+]C[C@H](NC(=O)[C@@H]1Cc2ccccc21)c1ccccc1 ZINC000090987171 180080862 /nfs/dbraw/zinc/08/08/62/180080862.db2.gz LLLBIANNMXJUOT-CVEARBPZSA-N 1 0 266.344 2.143 10 0 CEAERO COc1cccc([C@H](C[NH3+])[C@@H](O)[C@@H]2Cc3ccccc32)c1 ZINC000090991904 180081330 /nfs/dbraw/zinc/08/13/30/180081330.db2.gz RXQYCYPNMSJKMJ-SQNIBIBYSA-N 1 0 283.371 2.438 10 0 CEAERO CC(C)N1CCO[C@@H](C[NH2+]C[C@@H]2Cc3ccccc32)C1 ZINC000090992780 180082095 /nfs/dbraw/zinc/08/20/95/180082095.db2.gz OHCBGIJPZZAGQY-HOTGVXAUSA-N 1 0 274.408 2.025 10 0 CEAERO C[NH2+]Cc1cccn1CCc1ccc2c(c1)CCO2 ZINC000090995717 180082944 /nfs/dbraw/zinc/08/29/44/180082944.db2.gz KNBJTVDBFCHYCW-UHFFFAOYSA-N 1 0 256.349 2.385 10 0 CEAERO COCc1cc(Cn2cccc2C[NH2+]CC(C)C)no1 ZINC000091001952 180083750 /nfs/dbraw/zinc/08/37/50/180083750.db2.gz VJZYGHCJJVLRGR-UHFFFAOYSA-N 1 0 277.368 2.416 10 0 CEAERO CC[C@@H](C)NC(=O)Cn1ccc(C[NH2+]CC(C)C)c1 ZINC000091004454 180083803 /nfs/dbraw/zinc/08/38/03/180083803.db2.gz DAOIYLJKHBWAEF-CYBMUJFWSA-N 1 0 265.401 2.148 10 0 CEAERO CC(C)C[NH2+]Cc1nccn1CC1CCOCC1 ZINC000091002910 180083808 /nfs/dbraw/zinc/08/38/08/180083808.db2.gz KORQAIZZTXSGGL-UHFFFAOYSA-N 1 0 251.374 2.055 10 0 CEAERO CCC[NH2+]Cc1ccn(Cc2noc(CCC)n2)c1 ZINC000091003423 180083869 /nfs/dbraw/zinc/08/38/69/180083869.db2.gz VEAOEZFWDIIADY-UHFFFAOYSA-N 1 0 262.357 2.372 10 0 CEAERO Cc1nn(Cc2ccno2)c(C)c1C[NH2+]CC(C)C ZINC000091002249 180083897 /nfs/dbraw/zinc/08/38/97/180083897.db2.gz JSGAWTGZWAKRGZ-UHFFFAOYSA-N 1 0 262.357 2.282 10 0 CEAERO C[NH2+]Cc1ccn(CCc2ccc3c(c2)CCO3)c1 ZINC000091002959 180084241 /nfs/dbraw/zinc/08/42/41/180084241.db2.gz OSBMMGADOGYOFM-UHFFFAOYSA-N 1 0 256.349 2.385 10 0 CEAERO CC[NH2+]Cc1cn(CCCC(=O)N(C)C)c2ncccc12 ZINC000091020215 180087771 /nfs/dbraw/zinc/08/77/71/180087771.db2.gz SSBSGIXLMJKPOB-UHFFFAOYSA-N 1 0 288.395 2.014 10 0 CEAERO CC[NH2+]Cc1cn(Cc2cc(C)on2)c2ncccc12 ZINC000091019998 180087941 /nfs/dbraw/zinc/08/79/41/180087941.db2.gz WRUFTOXAZDIXDZ-UHFFFAOYSA-N 1 0 270.336 2.491 10 0 CEAERO C[C@H]([NH3+])Cc1cn(C[C@H]2CCCO2)c2ncccc12 ZINC000091021744 180088775 /nfs/dbraw/zinc/08/87/75/180088775.db2.gz DCIFXAWXFXEFAB-WCQYABFASA-N 1 0 259.353 2.105 10 0 CEAERO CCn1cccc1C[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000091025377 180089643 /nfs/dbraw/zinc/08/96/43/180089643.db2.gz VRQSPVASJCTNBA-GFCCVEGCSA-N 1 0 289.345 2.482 10 0 CEAERO [NH3+]CCc1nc(-c2n[nH]c(-c3cccs3)n2)cs1 ZINC000090945211 180069415 /nfs/dbraw/zinc/06/94/15/180069415.db2.gz FIVYGTHSUQYNKJ-UHFFFAOYSA-N 1 0 277.378 2.158 10 0 CEAERO CCCn1cccc1C[NH2+]CCCC(=O)OCC ZINC000091127869 180099513 /nfs/dbraw/zinc/09/95/13/180099513.db2.gz CLPKDYGMZSDMKM-UHFFFAOYSA-N 1 0 252.358 2.331 10 0 CEAERO Cn1c(C[C@H]2CSCC[NH2+]2)nc2cc(Cl)ccc21 ZINC000091128541 180100095 /nfs/dbraw/zinc/10/00/95/180100095.db2.gz QTSPNSFDSGBEMI-JTQLQIEISA-N 1 0 281.812 2.474 10 0 CEAERO C[C@@H]1CCC[C@@H](OC(=O)C[C@@H]2CSCC[NH2+]2)C1 ZINC000091130014 180101354 /nfs/dbraw/zinc/10/13/54/180101354.db2.gz KKAXILVXPBQIBH-IJLUTSLNSA-N 1 0 257.399 2.203 10 0 CEAERO CCN(Cc1cccc(C)c1)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000091136103 180105059 /nfs/dbraw/zinc/10/50/59/180105059.db2.gz HYACYJIUEZOKHG-OAHLLOKOSA-N 1 0 292.448 2.439 10 0 CEAERO C[C@H]1C[C@@H](c2ccncc2NC(=O)C(F)(F)F)CC[NH2+]1 ZINC000669385006 539766173 /nfs/dbraw/zinc/76/61/73/539766173.db2.gz RYVWMPAVOKWVSK-IUCAKERBSA-N 1 0 287.285 2.438 10 0 CEAERO CC(C)NC(=O)C[C@@H](C[NH3+])N1CCCCc2ccccc21 ZINC000091318972 180133578 /nfs/dbraw/zinc/13/35/78/180133578.db2.gz DUJSJWFLDXOIMN-HNNXBMFYSA-N 1 0 289.423 2.071 10 0 CEAERO CC(C)(C)NC(=O)C[C@@H](CN)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000091321511 180134327 /nfs/dbraw/zinc/13/43/27/180134327.db2.gz RASFAIRVKDFRRB-LSDHHAIUSA-N 1 0 295.471 2.273 10 0 CEAERO Cc1nc(C[C@@](C[NH3+])(c2ccccc2)[C@@H](C)O)cs1 ZINC000091327768 180135877 /nfs/dbraw/zinc/13/58/77/180135877.db2.gz QKWOTDCOFSZIHE-ABAIWWIYSA-N 1 0 276.405 2.272 10 0 CEAERO CC[C@H](C)n1ncc(C[NH2+]CCOC)c1C1CC1 ZINC000091337834 180136552 /nfs/dbraw/zinc/13/65/52/180136552.db2.gz GFJOSGKUKHXWEO-NSHDSACASA-N 1 0 251.374 2.468 10 0 CEAERO Cc1cc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)on1 ZINC000091358733 180140366 /nfs/dbraw/zinc/14/03/66/180140366.db2.gz LSVIXZILUOZCME-SRVKXCTJSA-N 1 0 263.341 2.232 10 0 CEAERO Cc1csc(CNC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3[NH2+]2)n1 ZINC000091360256 180140969 /nfs/dbraw/zinc/14/09/69/180140969.db2.gz IWAKFOOBBZOLPY-AGIUHOORSA-N 1 0 293.436 2.379 10 0 CEAERO CN(CC(F)(F)F)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000091359892 180141040 /nfs/dbraw/zinc/14/10/40/180141040.db2.gz NRYDJUQNYUNHKZ-VWYCJHECSA-N 1 0 278.318 2.318 10 0 CEAERO C[NH2+][C@@H](CSC[C@H](C)CO)c1ccc(OC)cc1 ZINC000091260826 180116011 /nfs/dbraw/zinc/11/60/11/180116011.db2.gz ZWOCZQMFLKOOHF-RISCZKNCSA-N 1 0 269.410 2.317 10 0 CEAERO COc1ccc(OC)c([C@H]([NH3+])CSC[C@@H](C)CO)c1 ZINC000091261625 180116128 /nfs/dbraw/zinc/11/61/28/180116128.db2.gz URUVTHDCQMBBPH-GXFFZTMASA-N 1 0 285.409 2.065 10 0 CEAERO C[C@H](CO)CSC[C@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000091260484 180116162 /nfs/dbraw/zinc/11/61/62/180116162.db2.gz SJHRLYKICKXBTF-YPMHNXCESA-N 1 0 297.420 2.209 10 0 CEAERO CC(C)n1cncc1CN1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000091272968 180118156 /nfs/dbraw/zinc/11/81/56/180118156.db2.gz XEOITEHGVRCHND-GJZGRUSLSA-N 1 0 262.401 2.180 10 0 CEAERO Cn1cncc1COc1ccc(Br)cc1C[NH3+] ZINC000091278237 180120793 /nfs/dbraw/zinc/12/07/93/180120793.db2.gz GKDMRFCPEUXBIK-UHFFFAOYSA-N 1 0 296.168 2.220 10 0 CEAERO CCCC1CCN(C(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000091290913 180123320 /nfs/dbraw/zinc/12/33/20/180123320.db2.gz GDMZELYPAMIUTA-ZDUSSCGKSA-N 1 0 270.442 2.120 10 0 CEAERO CCCN(CC[C@H]1CSCC[NH2+]1)CC(F)(F)F ZINC000091292176 180123459 /nfs/dbraw/zinc/12/34/59/180123459.db2.gz JYAMWMLEYLVLPA-JTQLQIEISA-N 1 0 270.364 2.356 10 0 CEAERO O=C(C[C@@H]1C[NH2+]CCO1)Nc1ccc2sccc2c1 ZINC000091299896 180126804 /nfs/dbraw/zinc/12/68/04/180126804.db2.gz LPXIPSCWCAKZGA-GFCCVEGCSA-N 1 0 276.361 2.218 10 0 CEAERO CC(C)(C)OC(=O)N1CCCC[C@H]2[C@@H]1[C@]1(CCOC1)[C@H]2[NH3+] ZINC000669382896 539765741 /nfs/dbraw/zinc/76/57/41/539765741.db2.gz FPTCDFSSZUZYRO-IATRGZMQSA-N 1 0 296.411 2.140 10 0 CEAERO CCOc1ccc(Cl)cc1NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000091300521 180128055 /nfs/dbraw/zinc/12/80/55/180128055.db2.gz SXHCSSGYYCPQKU-NSHDSACASA-N 1 0 298.770 2.056 10 0 CEAERO [NH3+]Cc1cncc(Oc2cccc3cccnc32)n1 ZINC000091434825 180154377 /nfs/dbraw/zinc/15/43/77/180154377.db2.gz ZTMWQCFUKZPDFN-UHFFFAOYSA-N 1 0 252.277 2.276 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1cccc(F)c1)N(C)CC1CC(O)C1 ZINC000091451287 180158830 /nfs/dbraw/zinc/15/88/30/180158830.db2.gz RWKQDSBYUHVWLL-SPNRQUNLSA-N 1 0 280.387 2.307 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccsc1)N(C)CC1CC(O)C1 ZINC000091451823 180159237 /nfs/dbraw/zinc/15/92/37/180159237.db2.gz AEUKYDNXSOOFCG-FFKWVLBGSA-N 1 0 268.426 2.229 10 0 CEAERO [NH3+]CC1CC(OCc2cnn(-c3ccccc3)c2)C1 ZINC000091463699 180162667 /nfs/dbraw/zinc/16/26/67/180162667.db2.gz QZUXRAJEBJAWNL-UHFFFAOYSA-N 1 0 257.337 2.126 10 0 CEAERO C[NH2+]CC[C@@](C)(O)c1cccc(OC(F)(F)F)c1 ZINC000091464666 180162859 /nfs/dbraw/zinc/16/28/59/180162859.db2.gz WGQKMLRDNHSSPU-LLVKDONJSA-N 1 0 263.259 2.402 10 0 CEAERO CC[NH2+][C@H](C)c1nnc(-c2ccncc2Cl)o1 ZINC000091465263 180163572 /nfs/dbraw/zinc/16/35/72/180163572.db2.gz DILVPRKPUYLUQM-SSDOTTSWSA-N 1 0 252.705 2.456 10 0 CEAERO CCC[NH2+]CC[C@@](C)(O)c1ccc(OC)c(OC)c1 ZINC000091466449 180163644 /nfs/dbraw/zinc/16/36/44/180163644.db2.gz BPIDHYNADUBBGP-OAHLLOKOSA-N 1 0 267.369 2.301 10 0 CEAERO COCC[NH2+]C[C@H](O)Cc1ccc(Cl)cc1Cl ZINC000091467876 180164241 /nfs/dbraw/zinc/16/42/41/180164241.db2.gz ZACFJGLSKOVMLA-LLVKDONJSA-N 1 0 278.179 2.133 10 0 CEAERO CC(C)C[NH2+]C[C@@H](O)Cc1ccnc2ccccc12 ZINC000091468026 180164440 /nfs/dbraw/zinc/16/44/40/180164440.db2.gz PWTLQLYPPGCUJI-AWEZNQCLSA-N 1 0 258.365 2.384 10 0 CEAERO COc1ccc(CC[C@H](O)C[NH2+]C(C)(C)C)cc1 ZINC000091470556 180165010 /nfs/dbraw/zinc/16/50/10/180165010.db2.gz NCKQNLMWKPOEJM-ZDUSSCGKSA-N 1 0 251.370 2.377 10 0 CEAERO Cc1cc([C@H]([NH2+]CC2CC2)C(N)=O)ccc1Br ZINC000091471545 180165335 /nfs/dbraw/zinc/16/53/35/180165335.db2.gz VANQDIDHSJIEJE-LBPRGKRZSA-N 1 0 297.196 2.284 10 0 CEAERO CN(CC1CC([NH3+])C1)c1ccc(C(F)(F)F)cn1 ZINC000091472010 180165612 /nfs/dbraw/zinc/16/56/12/180165612.db2.gz HBOFVZYQFIJLSM-UHFFFAOYSA-N 1 0 259.275 2.274 10 0 CEAERO C[NH2+]CC1CC(Oc2ncccc2C(F)(F)F)C1 ZINC000091474352 180165783 /nfs/dbraw/zinc/16/57/83/180165783.db2.gz ALKUPEJPVJLNCI-UHFFFAOYSA-N 1 0 260.259 2.477 10 0 CEAERO CC[C@@H](C)[C@H](C(=O)N1CC(C[NH3+])C1)c1ccccc1 ZINC000091488026 180167939 /nfs/dbraw/zinc/16/79/39/180167939.db2.gz KNWIEARZMMQSNX-DOMZBBRYSA-N 1 0 260.381 2.233 10 0 CEAERO CSC1(C(N)=S)CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000091489043 180168553 /nfs/dbraw/zinc/16/85/53/180168553.db2.gz WQEUHWCFVFMXQM-LLVKDONJSA-N 1 0 288.482 2.039 10 0 CEAERO CC1(C)C(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2(C)C)C1(C)C ZINC000091492849 180170665 /nfs/dbraw/zinc/17/06/65/180170665.db2.gz WUCDKEBOUHDKSY-GHMZBOCLSA-N 1 0 264.413 2.125 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(Cc2ccc(Cl)c(N)c2)C1 ZINC000091394887 180146026 /nfs/dbraw/zinc/14/60/26/180146026.db2.gz QEHCBAAZOPFREU-GFCCVEGCSA-N 1 0 267.804 2.448 10 0 CEAERO O=C(Nc1ccc(OCc2ccccc2)cc1)C1C[NH2+]C1 ZINC000091411406 180148688 /nfs/dbraw/zinc/14/86/88/180148688.db2.gz ZXQZAUWXHYKRHF-UHFFFAOYSA-N 1 0 282.343 2.424 10 0 CEAERO CCC[NH2+]Cc1cncc(N(CC)CC(F)(F)F)n1 ZINC000091419774 180150870 /nfs/dbraw/zinc/15/08/70/180150870.db2.gz PYPZZKIEKJTBAY-UHFFFAOYSA-N 1 0 276.306 2.365 10 0 CEAERO CC[NH2+]Cc1cncc(N(C)c2ccccc2F)n1 ZINC000091420365 180150900 /nfs/dbraw/zinc/15/09/00/180150900.db2.gz XYPJRFFUBFWJLO-UHFFFAOYSA-N 1 0 260.316 2.493 10 0 CEAERO CC(C)(C)[NH2+]Cc1cncc(OCC(F)(F)F)n1 ZINC000091422747 180151326 /nfs/dbraw/zinc/15/13/26/180151326.db2.gz HVIUUOPVMADKSJ-UHFFFAOYSA-N 1 0 263.263 2.306 10 0 CEAERO C[NH2+]Cc1cncc(N2CCC[C@@H](C(C)C)CC2)n1 ZINC000091421948 180151397 /nfs/dbraw/zinc/15/13/97/180151397.db2.gz MYJFJSMPVZKXRS-CYBMUJFWSA-N 1 0 262.401 2.459 10 0 CEAERO CCC[NH2+]Cc1cncc(-n2cc(Cl)c(C)n2)n1 ZINC000091422579 180151463 /nfs/dbraw/zinc/15/14/63/180151463.db2.gz LQFLOVIQPYFFNF-UHFFFAOYSA-N 1 0 265.748 2.124 10 0 CEAERO O=C1N(Cc2ccccc2Cl)CCN1C1CC[NH2+]CC1 ZINC000091500630 180174833 /nfs/dbraw/zinc/17/48/33/180174833.db2.gz UFQODMQKIZXQQW-UHFFFAOYSA-N 1 0 293.798 2.330 10 0 CEAERO COc1cc([C@@H](C)[NH2+]CC2CC(O)C2)cc(OC)c1OC ZINC000091426158 180152016 /nfs/dbraw/zinc/15/20/16/180152016.db2.gz MPGDJFHUNASONA-XSRFYTQQSA-N 1 0 295.379 2.134 10 0 CEAERO CCn1nc(C)c(N)c1NCCCC[N@H+](C)C(C)C ZINC000091557715 180190897 /nfs/dbraw/zinc/19/08/97/180190897.db2.gz SSMNYACNFZJPMJ-UHFFFAOYSA-N 1 0 267.421 2.326 10 0 CEAERO CCn1nc(C)cc1C[C@@H](O)C(C)(C)[NH+]1CCCCC1 ZINC000091563952 180192433 /nfs/dbraw/zinc/19/24/33/180192433.db2.gz ASQIRWUYOIPXPQ-OAHLLOKOSA-N 1 0 279.428 2.379 10 0 CEAERO CC(C)([C@H](O)CCc1ccsc1)[NH+]1CCOCC1 ZINC000091565798 180193219 /nfs/dbraw/zinc/19/32/19/180193219.db2.gz ZOSIHVSOSUUZQY-CYBMUJFWSA-N 1 0 269.410 2.152 10 0 CEAERO C[NH2+][C@@H](c1cnccc1N)C(C)(C)N1CCCCC1 ZINC000091564799 180193550 /nfs/dbraw/zinc/19/35/50/180193550.db2.gz CEJABIJLXGXGJW-AWEZNQCLSA-N 1 0 262.401 2.189 10 0 CEAERO CC(C)([C@@H](O)C[C@@H]1Cc2ccccc21)[NH+]1CCOCC1 ZINC000091565809 180193622 /nfs/dbraw/zinc/19/36/22/180193622.db2.gz RNXMVMSSASRFNQ-HOCLYGCPSA-N 1 0 275.392 2.188 10 0 CEAERO CC[NH2+][C@@H](Cc1ncnn1CC)C(C)(C)N1CCCCC1 ZINC000091565294 180193772 /nfs/dbraw/zinc/19/37/72/180193772.db2.gz GPOCQVNIEYTIKK-AWEZNQCLSA-N 1 0 293.459 2.083 10 0 CEAERO Cc1cc(C)cc([C@@H]([NH3+])C(C)(C)N2CCOCC2)c1 ZINC000091566069 180194062 /nfs/dbraw/zinc/19/40/62/180194062.db2.gz LYVJTZIXZOERRE-OAHLLOKOSA-N 1 0 262.397 2.414 10 0 CEAERO CC(C)([C@@H]([NH3+])Cc1ccc(Cl)s1)N1CCOCC1 ZINC000091566228 180194184 /nfs/dbraw/zinc/19/41/84/180194184.db2.gz UZOSCCBVBPBIDX-NSHDSACASA-N 1 0 288.844 2.382 10 0 CEAERO C[NH2+][C@H](C[C@H]1Cc2ccccc21)C(C)(C)N1CCOCC1 ZINC000091566510 180194235 /nfs/dbraw/zinc/19/42/35/180194235.db2.gz LTPSEZISYLFZLZ-NVXWUHKLSA-N 1 0 288.435 2.415 10 0 CEAERO CCC[NH2+][C@@H](c1cnn(CC)c1)C(C)(C)N1CCOCC1 ZINC000091567196 180194875 /nfs/dbraw/zinc/19/48/75/180194875.db2.gz SHTKNBUOJPEFHA-HNNXBMFYSA-N 1 0 294.443 2.055 10 0 CEAERO CN[C@@H](c1nccn1C)C(C)(C)[NH+]1CCCCCC1 ZINC000091568193 180194919 /nfs/dbraw/zinc/19/49/19/180194919.db2.gz CMKRSJGJCDVPRH-ZDUSSCGKSA-N 1 0 264.417 2.335 10 0 CEAERO CCCn1ccnc1[C@@H]([NH2+]CC)C(C)(C)N1CCOCC1 ZINC000091567011 180194955 /nfs/dbraw/zinc/19/49/55/180194955.db2.gz DTYHYCJPBXWQOG-CQSZACIVSA-N 1 0 294.443 2.055 10 0 CEAERO CN[C@@H](c1cnccn1)C(C)(C)[NH+]1CCCCCC1 ZINC000091568159 180195098 /nfs/dbraw/zinc/19/50/98/180195098.db2.gz UHABXNPKAMYVRE-AWEZNQCLSA-N 1 0 262.401 2.392 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccncc1)C(C)(C)N1CCOCC1 ZINC000091567202 180195120 /nfs/dbraw/zinc/19/51/20/180195120.db2.gz IJQBZHPLWZYHFX-INIZCTEOSA-N 1 0 291.439 2.103 10 0 CEAERO CCC[NH2+][C@H](CC[C@@H]1CCCO1)C(C)(C)N1CCOCC1 ZINC000091567117 180195137 /nfs/dbraw/zinc/19/51/37/180195137.db2.gz ROJUTYZNFORTPO-JKSUJKDBSA-N 1 0 298.471 2.425 10 0 CEAERO CCc1cc(C[C@@H](N)[C@](C)(CC)[NH+](C)C)n(CC)n1 ZINC000091569955 180195395 /nfs/dbraw/zinc/19/53/95/180195395.db2.gz CHTPPCDWADNLSN-CABCVRRESA-N 1 0 266.433 2.066 10 0 CEAERO CC[C@@](C)([C@H](N)Cc1ccc(OC)c(F)c1)[NH+](C)C ZINC000091569644 180195501 /nfs/dbraw/zinc/19/55/01/180195501.db2.gz BRCKOKKNQWICIP-CABCVRRESA-N 1 0 268.376 2.434 10 0 CEAERO CCn1cc(C[C@@H](O)[C@@](C)(CC)[NH+](CC)CC)cn1 ZINC000091572941 180196070 /nfs/dbraw/zinc/19/60/70/180196070.db2.gz JHGNJTUNBSLLHD-HUUCEWRRSA-N 1 0 267.417 2.317 10 0 CEAERO CCn1cc(C[C@H](N)[C@@](C)(CC)[NH+](CC)CC)cn1 ZINC000091573695 180196090 /nfs/dbraw/zinc/19/60/90/180196090.db2.gz JPXQKTCEKVCDDM-LSDHHAIUSA-N 1 0 266.433 2.283 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@H](O)Cc1ccccn1 ZINC000091572757 180196296 /nfs/dbraw/zinc/19/62/96/180196296.db2.gz VQAYWQKMOQIEBK-HUUCEWRRSA-N 1 0 250.386 2.496 10 0 CEAERO CC[NH2+][C@@H](Cc1cc(C)nn1CC)[C@](C)(CC)N(C)C ZINC000091571370 180196675 /nfs/dbraw/zinc/19/66/75/180196675.db2.gz IHLZGLCXRLQODX-HOTGVXAUSA-N 1 0 280.460 2.462 10 0 CEAERO CCCc1nn(C)c(N2CC[C@H]([NH+]3CCCCC3)C2)c1N ZINC000091578665 180198212 /nfs/dbraw/zinc/19/82/12/180198212.db2.gz DARDOSKQFUDCOC-ZDUSSCGKSA-N 1 0 291.443 2.019 10 0 CEAERO CC[C@@](C)(C(=O)Cc1ccnc(N)c1)[NH+]1CCCC1 ZINC000091601743 180203304 /nfs/dbraw/zinc/20/33/04/180203304.db2.gz WSCDHPDQPGSKNV-HNNXBMFYSA-N 1 0 261.369 2.040 10 0 CEAERO CC[C@](C)([C@H](O)C1CCOCC1)[NH+]1CCCCC1 ZINC000091608286 180204453 /nfs/dbraw/zinc/20/44/53/180204453.db2.gz SPSBSJJDLNDVJW-HUUCEWRRSA-N 1 0 255.402 2.429 10 0 CEAERO CCn1ccnc1[C@@H](NC)[C@](C)(CC)[NH+]1CCCC1 ZINC000091606723 180204564 /nfs/dbraw/zinc/20/45/64/180204564.db2.gz QGKXBVUBYBPILG-HIFRSBDPSA-N 1 0 264.417 2.428 10 0 CEAERO CCN[C@H](c1ccnn1C)[C@@](C)(CC)[NH+]1CCCC1 ZINC000091607390 180204572 /nfs/dbraw/zinc/20/45/72/180204572.db2.gz UHKPJJBVGPGNPW-HUUCEWRRSA-N 1 0 264.417 2.335 10 0 CEAERO CCN[C@H](c1cnccn1)[C@@](C)(CC)[NH+]1CCCC1 ZINC000091607190 180204627 /nfs/dbraw/zinc/20/46/27/180204627.db2.gz SXCKZMOIHAGAKF-HUUCEWRRSA-N 1 0 262.401 2.392 10 0 CEAERO CC[C@](C)([C@H](O)Cc1cc(C)nn1C)[NH+]1CCCCC1 ZINC000091608570 180205598 /nfs/dbraw/zinc/20/55/98/180205598.db2.gz CHQHBCBNOKYRQH-HZPDHXFCSA-N 1 0 279.428 2.287 10 0 CEAERO CCCn1ncnc1C[C@H](N)[C@](C)(CC)[NH+]1CCCCC1 ZINC000091609451 180205703 /nfs/dbraw/zinc/20/57/03/180205703.db2.gz RXVOPZPJOPFTKT-HOCLYGCPSA-N 1 0 293.459 2.213 10 0 CEAERO CC[C@](C)([C@H]([NH3+])c1cccc(C)c1)N1CCOCC1 ZINC000091611854 180206303 /nfs/dbraw/zinc/20/63/03/180206303.db2.gz HUGCNYJHZDVZMW-HZPDHXFCSA-N 1 0 262.397 2.496 10 0 CEAERO CC[C@@](C)([C@H]([NH3+])Cc1ccc(C)cc1)N1CCOCC1 ZINC000091611741 180206603 /nfs/dbraw/zinc/20/66/03/180206603.db2.gz SQIXEQPRSHHNIK-SJORKVTESA-N 1 0 276.424 2.366 10 0 CEAERO CC[C@@](C)([C@H](O)c1ccc(OC)cc1)[NH+]1CCOCC1 ZINC000091611169 180206805 /nfs/dbraw/zinc/20/68/05/180206805.db2.gz VWXCKKIONSJPBH-CVEARBPZSA-N 1 0 279.380 2.230 10 0 CEAERO CC[C@](C)([C@H]([NH3+])c1ccccc1F)N1CCOCC1 ZINC000091611878 180206857 /nfs/dbraw/zinc/20/68/57/180206857.db2.gz FNVFXFAWOXPUHZ-HUUCEWRRSA-N 1 0 266.360 2.326 10 0 CEAERO CC[C@@](C)([C@H]([NH2+]C)c1ccco1)N1CCOCC1 ZINC000091612477 180207006 /nfs/dbraw/zinc/20/70/06/180207006.db2.gz YDGOODMHIXYULT-KGLIPLIRSA-N 1 0 252.358 2.041 10 0 CEAERO CC[C@@](C)([C@@H](Cc1ccsc1)[NH2+]C)N1CCOCC1 ZINC000091612489 180207498 /nfs/dbraw/zinc/20/74/98/180207498.db2.gz OYYCFCKSTXURSE-CABCVRRESA-N 1 0 282.453 2.380 10 0 CEAERO CC[C@](C)([C@H](Cc1cccc(F)c1)[NH2+]C)N1CCOCC1 ZINC000091612460 180207505 /nfs/dbraw/zinc/20/75/05/180207505.db2.gz RBANKWWDIRXBEM-DLBZAZTESA-N 1 0 294.414 2.457 10 0 CEAERO CC[NH2+][C@@H](Cc1cccnc1N)C(CC)(CC)N(C)C ZINC000091614739 180207804 /nfs/dbraw/zinc/20/78/04/180207804.db2.gz CTVUCGMQNBUNRX-AWEZNQCLSA-N 1 0 278.444 2.305 10 0 CEAERO CCC[NH2+][C@H](C1CC1)[C@@](C)(CC)N1CCOCC1 ZINC000091613194 180208036 /nfs/dbraw/zinc/20/80/36/180208036.db2.gz VHMUGSOBLMFYIF-HUUCEWRRSA-N 1 0 254.418 2.266 10 0 CEAERO CC(C)C[NH2+]CC[C@](C)(O)c1ccc2c(c1)OCCO2 ZINC000091504325 180175420 /nfs/dbraw/zinc/17/54/20/180175420.db2.gz AMQDGMKBOUZJNU-INIZCTEOSA-N 1 0 279.380 2.301 10 0 CEAERO CCc1cc(C[C@](C)(O)CC[NH2+]CC(C)C)n(CC)n1 ZINC000091505462 180176284 /nfs/dbraw/zinc/17/62/84/180176284.db2.gz CTTVRZRXOFTQIC-MRXNPFEDSA-N 1 0 281.444 2.395 10 0 CEAERO COCC[NH2+]CC[C@@](C)(O)c1cccc2cnccc21 ZINC000091523478 180177945 /nfs/dbraw/zinc/17/79/45/180177945.db2.gz ZRKKQCVMMZGHBM-MRXNPFEDSA-N 1 0 274.364 2.068 10 0 CEAERO CC(C)C1CCC(c2noc(C[C@@](C)(O)C[NH3+])n2)CC1 ZINC000091524039 180178216 /nfs/dbraw/zinc/17/82/16/180178216.db2.gz QAWSDKYSXGAYIN-KOHJWAIASA-N 1 0 281.400 2.252 10 0 CEAERO COCC[NH2+]CC[C@@](C)(O)c1ccc(C)c(C)c1 ZINC000091521062 180178452 /nfs/dbraw/zinc/17/84/52/180178452.db2.gz VYWVXBUETCZYQS-OAHLLOKOSA-N 1 0 251.370 2.137 10 0 CEAERO [NH3+]C1CC(CNC(=O)Cc2ccc3ccccc3c2)C1 ZINC000091525911 180179077 /nfs/dbraw/zinc/17/90/77/180179077.db2.gz MSXPVUADVQNAKV-UHFFFAOYSA-N 1 0 268.360 2.236 10 0 CEAERO CC[C@@H](C)n1ccc(CC(=O)C(C)(C)[NH+](C)C)n1 ZINC000091528122 180179537 /nfs/dbraw/zinc/17/95/37/180179537.db2.gz JSSVEPHIGQCFGL-LLVKDONJSA-N 1 0 251.374 2.306 10 0 CEAERO C[NH+](C)C(C)(C)[C@H](O)Cc1ccc2ccccc2n1 ZINC000091528201 180180001 /nfs/dbraw/zinc/18/00/01/180180001.db2.gz LJOZUMIWDMOIFL-OAHLLOKOSA-N 1 0 258.365 2.478 10 0 CEAERO CCc1cc(C[C@@H](O)C(C)(C)[NH+](CC)CC)n(C)n1 ZINC000091529989 180180411 /nfs/dbraw/zinc/18/04/11/180180411.db2.gz QYYZBQAHFRLTLN-CQSZACIVSA-N 1 0 267.417 2.006 10 0 CEAERO C[NH2+][C@@H](Cc1cccc(F)c1F)C(C)(C)N(C)C ZINC000091528572 180180619 /nfs/dbraw/zinc/18/06/19/180180619.db2.gz ABBIDLHABARMDE-LBPRGKRZSA-N 1 0 256.340 2.436 10 0 CEAERO CC[NH2+][C@@H](Cc1cc(C)nn1CC)C(C)(C)N(C)C ZINC000091529096 180180644 /nfs/dbraw/zinc/18/06/44/180180644.db2.gz AUYITCUANRZQKD-AWEZNQCLSA-N 1 0 266.433 2.072 10 0 CEAERO [NH3+][C@@H]1CC[C@H](C(=O)N(Cc2ccc(F)cc2)C2CC2)C1 ZINC000091541267 180183580 /nfs/dbraw/zinc/18/35/80/180183580.db2.gz DDIBETGVIXRSIM-GXTWGEPZSA-N 1 0 276.355 2.444 10 0 CEAERO CSc1ccc(CN(C)C(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000091541249 180183925 /nfs/dbraw/zinc/18/39/25/180183925.db2.gz FYLASYDTJVPVOU-QWHCGFSZSA-N 1 0 278.421 2.494 10 0 CEAERO CC(C)c1csc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)n1 ZINC000091544263 180185839 /nfs/dbraw/zinc/18/58/39/180185839.db2.gz FOEUXBPFUXTLNN-BDAKNGLRSA-N 1 0 253.371 2.332 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](C(=O)Nc2ccc3ncccc3c2)C1 ZINC000091544750 180185974 /nfs/dbraw/zinc/18/59/74/180185974.db2.gz OMUDAVZKUWTVEK-VXGBXAGGSA-N 1 0 255.321 2.301 10 0 CEAERO [NH3+][C@@H]1CC[C@H](C(=O)Nc2cc(F)c(F)c(F)c2)C1 ZINC000091546046 180187066 /nfs/dbraw/zinc/18/70/66/180187066.db2.gz BFTYCZFCUZXGNA-NKWVEPMBSA-N 1 0 258.243 2.170 10 0 CEAERO [NH3+][C@H]1CC[C@@H](C(=O)Nc2cnc3ccccc3c2)C1 ZINC000091548031 180187728 /nfs/dbraw/zinc/18/77/28/180187728.db2.gz JBCSLQGSTOTOMR-NEPJUHHUSA-N 1 0 255.321 2.301 10 0 CEAERO CCC(CC)([C@H](N)c1nccn1C)[NH+]1CCCC1 ZINC000091634808 180211032 /nfs/dbraw/zinc/21/10/32/180211032.db2.gz RCTPTWLSXYCFTC-GFCCVEGCSA-N 1 0 250.390 2.075 10 0 CEAERO CC[NH2+][C@@H](Cc1ccncc1)C1(N(C)C)CCCC1 ZINC000091638183 180211958 /nfs/dbraw/zinc/21/19/58/180211958.db2.gz GJQOTNTVFLIVIS-HNNXBMFYSA-N 1 0 261.413 2.477 10 0 CEAERO C[NH2+][C@@H](c1c(C)ccnc1N)C1(N(C)C)CCCC1 ZINC000091637579 180212116 /nfs/dbraw/zinc/21/21/16/180212116.db2.gz MRNJJCQBLBUCNH-ZDUSSCGKSA-N 1 0 262.401 2.107 10 0 CEAERO CC[NH2+][C@H](c1cccnc1N)C1(N(C)C)CCCC1 ZINC000091638216 180212317 /nfs/dbraw/zinc/21/23/17/180212317.db2.gz GLRHZIQBRGNXRD-CYBMUJFWSA-N 1 0 262.401 2.189 10 0 CEAERO CC[NH2+][C@@H](c1cc(C)cnc1N)C1(N(C)C)CCCC1 ZINC000091637961 180212535 /nfs/dbraw/zinc/21/25/35/180212535.db2.gz ULBVYLPLUVIBKA-AWEZNQCLSA-N 1 0 276.428 2.497 10 0 CEAERO CC[NH+](CC)C1([C@H](N)Cc2ncnn2C(C)C)CCCC1 ZINC000091639380 180212639 /nfs/dbraw/zinc/21/26/39/180212639.db2.gz LNQXAKZBTCEUAE-CQSZACIVSA-N 1 0 293.459 2.383 10 0 CEAERO Nc1ncccc1[C@H](O)C1([NH+]2CCCCC2)CCCC1 ZINC000091641640 180213593 /nfs/dbraw/zinc/21/35/93/180213593.db2.gz DPYXPWOEADPEBP-AWEZNQCLSA-N 1 0 275.396 2.496 10 0 CEAERO [NH3+][C@@H](c1ccccc1F)C1(N2CCOCC2)CCCC1 ZINC000091642967 180214054 /nfs/dbraw/zinc/21/40/54/180214054.db2.gz JTIXGCAZPRSKBS-HNNXBMFYSA-N 1 0 278.371 2.471 10 0 CEAERO CC(C)CC[C@H]([NH3+])C1(N2CCOCC2)CCCC1 ZINC000091642830 180214318 /nfs/dbraw/zinc/21/43/18/180214318.db2.gz JOZCYUULHWAMBT-AWEZNQCLSA-N 1 0 254.418 2.395 10 0 CEAERO CC[NH2+][C@@H](Cc1ncnn1CC)C1(N(C)C)CCCCC1 ZINC000091647974 180215125 /nfs/dbraw/zinc/21/51/25/180215125.db2.gz NLMXETADZGUKAF-AWEZNQCLSA-N 1 0 293.459 2.083 10 0 CEAERO C[NH+](C)C1([C@H](N)CC2CCOCC2)CCCCC1 ZINC000091647054 180215767 /nfs/dbraw/zinc/21/57/67/180215767.db2.gz UBFCIDZYFMEDOF-CQSZACIVSA-N 1 0 254.418 2.395 10 0 CEAERO C[C@H]1CCC[C@](C(=O)Cc2cccnc2N)([NH+](C)C)C1 ZINC000091650487 180216523 /nfs/dbraw/zinc/21/65/23/180216523.db2.gz ZKEAFSRRUKHHLJ-LRDDRELGSA-N 1 0 275.396 2.286 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CNc1nc(Cl)ncc1F ZINC000091655234 180217121 /nfs/dbraw/zinc/21/71/21/180217121.db2.gz YXZLRMBCAQNEPZ-QMMMGPOBSA-N 1 0 258.728 2.165 10 0 CEAERO C[NH2+][C@H](Cc1cnccc1N)C1(N(C)C)CCCCCC1 ZINC000091654427 180217443 /nfs/dbraw/zinc/21/74/43/180217443.db2.gz XSAOEHGFTGSASR-MRXNPFEDSA-N 1 0 290.455 2.449 10 0 CEAERO CC[NH+](CC)CC[C@H](O)Cc1ccccc1OC ZINC000091714440 180231534 /nfs/dbraw/zinc/23/15/34/180231534.db2.gz RTZGQJONIFVBQP-AWEZNQCLSA-N 1 0 251.370 2.331 10 0 CEAERO CC[NH+](CC)CC[C@@H](O)Cc1c(Cl)c(C)nn1C ZINC000091714287 180231681 /nfs/dbraw/zinc/23/16/81/180231681.db2.gz JULRGDVJIMZLLR-LLVKDONJSA-N 1 0 273.808 2.017 10 0 CEAERO CC(C)c1ccc(C[C@@H]([NH3+])[C@@H]2CN(C)CCO2)cc1 ZINC000091717306 180232361 /nfs/dbraw/zinc/23/23/61/180232361.db2.gz ZWVGJPNXGFSPPR-CVEARBPZSA-N 1 0 262.397 2.010 10 0 CEAERO CCC[NH2+][C@H](CCC1CC1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091722247 180239610 /nfs/dbraw/zinc/23/96/10/180239610.db2.gz JXNVHCOVQHKWSR-BZUAXINKSA-N 1 0 266.429 2.408 10 0 CEAERO CCC[NH2+][C@@H](c1ccc(OC)c(F)c1)[C@@H]1CN(C)CCO1 ZINC000091719518 180234148 /nfs/dbraw/zinc/23/41/48/180234148.db2.gz HJCCAQZMLDZTMR-HOTGVXAUSA-N 1 0 296.386 2.206 10 0 CEAERO CCC[NH2+][C@H](c1cccc(F)c1F)[C@@H]1CN(C)CCO1 ZINC000091719459 180234283 /nfs/dbraw/zinc/23/42/83/180234283.db2.gz BXRLRDCZTCHWKL-DZGCQCFKSA-N 1 0 284.350 2.336 10 0 CEAERO CCC[NH2+][C@@H](c1cccc(F)c1F)[C@@H]1CN(C)CCO1 ZINC000091719458 180234461 /nfs/dbraw/zinc/23/44/61/180234461.db2.gz BXRLRDCZTCHWKL-ZFWWWQNUSA-N 1 0 284.350 2.336 10 0 CEAERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1cc2c(s1)CCCC2 ZINC000624237222 350240109 /nfs/dbraw/zinc/24/01/09/350240109.db2.gz RZRFIMMETJDFDE-DRZSPHRISA-N 1 0 281.421 2.427 10 0 CEAERO C[NH2+][C@H](c1ccc(OC)cc1C)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721509 180238184 /nfs/dbraw/zinc/23/81/84/180238184.db2.gz BCSJASNYULCCIC-XOKHGSTOSA-N 1 0 290.407 2.127 10 0 CEAERO C[NH2+][C@H](Cc1cc(C)cc(C)c1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721477 180238453 /nfs/dbraw/zinc/23/84/53/180238453.db2.gz VKODIYHFPIQHKK-KURKYZTESA-N 1 0 288.435 2.297 10 0 CEAERO C[NH2+][C@H](c1csc(C)c1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721417 180239058 /nfs/dbraw/zinc/23/90/58/180239058.db2.gz VVMMUWKKKZQPGK-HZSPNIEDSA-N 1 0 266.410 2.180 10 0 CEAERO C[C@H]([NH3+])c1cccn1CCCOCC(F)(F)F ZINC000091799781 180258341 /nfs/dbraw/zinc/25/83/41/180258341.db2.gz VUBDDOJTGCMXJK-VIFPVBQESA-N 1 0 250.264 2.477 10 0 CEAERO CC[NH2+][C@@H](C)c1cccn1Cc1ncnn1CC(C)C ZINC000091801804 180258924 /nfs/dbraw/zinc/25/89/24/180258924.db2.gz JNKZLEIQNGCDBM-ZDUSSCGKSA-N 1 0 275.400 2.454 10 0 CEAERO CC[NH2+][C@@H]1CCCc2nc([C@H]3CN(C)CCO3)sc21 ZINC000091722468 180240178 /nfs/dbraw/zinc/24/01/78/180240178.db2.gz SXOIIJBXNRBQRX-ZYHUDNBSSA-N 1 0 281.425 2.133 10 0 CEAERO CCC[NH2+]Cc1cnc([C@@H]2CN3CCC[C@@H]3CO2)s1 ZINC000091722438 180240929 /nfs/dbraw/zinc/24/09/29/180240929.db2.gz GLNJQJNCIYGBEP-YPMHNXCESA-N 1 0 281.425 2.178 10 0 CEAERO CC(C)C[NH2+]Cc1cnc([C@@H]2CN3CCC[C@@H]3CO2)s1 ZINC000091723183 180242371 /nfs/dbraw/zinc/24/23/71/180242371.db2.gz MLRXBCORFBBKAG-OCCSQVGLSA-N 1 0 295.452 2.424 10 0 CEAERO CCC[NH2+][C@H](C)[C@@H](c1nc(CN(C)C)no1)C(C)C ZINC000091747680 180244731 /nfs/dbraw/zinc/24/47/31/180244731.db2.gz JZYZKRHMAZMRKX-YPMHNXCESA-N 1 0 268.405 2.259 10 0 CEAERO CCC[NH2+][C@@H]1CCCC[C@@H]1c1nc(CN(C)C)no1 ZINC000091747635 180244943 /nfs/dbraw/zinc/24/49/43/180244943.db2.gz XKXUTPJWZRFYIS-NWDGAFQWSA-N 1 0 266.389 2.157 10 0 CEAERO CCN(c1ncnc2c1CCC2)C1CCC([NH3+])CC1 ZINC000091851282 180272632 /nfs/dbraw/zinc/27/26/32/180272632.db2.gz XJQQJAOHQWFISF-UHFFFAOYSA-N 1 0 260.385 2.062 10 0 CEAERO CCCN(C(=O)c1cccn1C)C1CCC([NH3+])CC1 ZINC000091852102 180273254 /nfs/dbraw/zinc/27/32/54/180273254.db2.gz VGJKJAYZXQHSCV-UHFFFAOYSA-N 1 0 263.385 2.147 10 0 CEAERO C[N@H+](Cc1cn2ccccc2n1)C1CCC(=O)CC1 ZINC000091853894 180273909 /nfs/dbraw/zinc/27/39/09/180273909.db2.gz KULSATXLRQQKMB-UHFFFAOYSA-N 1 0 257.337 2.278 10 0 CEAERO CCC[NH2+][C@H](C)c1cccn1CCC(=O)N(C)C ZINC000091802497 180260189 /nfs/dbraw/zinc/26/01/89/180260189.db2.gz CJXATAWYRWGMJE-GFCCVEGCSA-N 1 0 251.374 2.027 10 0 CEAERO CC[C@H]([NH2+]C)c1ccn(CC(=O)N(CC)CC)c1 ZINC000091816585 180263032 /nfs/dbraw/zinc/26/30/32/180263032.db2.gz LGELKMXZXCVATI-ZDUSSCGKSA-N 1 0 251.374 2.027 10 0 CEAERO CCC[NH2+][C@@H](CC)c1ccn(CCS(=O)(=O)CC)c1 ZINC000091817867 180263396 /nfs/dbraw/zinc/26/33/96/180263396.db2.gz LTVIAOQLWBLOJC-AWEZNQCLSA-N 1 0 286.441 2.374 10 0 CEAERO CCCNC(=O)Cn1ccc([C@H](CC)[NH2+]CCC)c1 ZINC000091817555 180263428 /nfs/dbraw/zinc/26/34/28/180263428.db2.gz WEFOVCNPAIHDPD-AWEZNQCLSA-N 1 0 265.401 2.465 10 0 CEAERO CCC[NH2+][C@@H](CCC)c1ccn(CCOCCO)c1 ZINC000091823931 180263875 /nfs/dbraw/zinc/26/38/75/180263875.db2.gz GAFURWZRNIWCNF-HNNXBMFYSA-N 1 0 268.401 2.338 10 0 CEAERO C[NH2+][C@@H](c1ccn(CC(=O)NCC(F)(F)F)c1)C(C)C ZINC000091827088 180265089 /nfs/dbraw/zinc/26/50/89/180265089.db2.gz ZOKFZSLEJRTXKR-GFCCVEGCSA-N 1 0 291.317 2.083 10 0 CEAERO CCCCNC(=O)Cn1ccc([C@@H]([NH2+]CC)C2CC2)c1 ZINC000091838117 180267623 /nfs/dbraw/zinc/26/76/23/180267623.db2.gz YPEBNGVXUIJXBY-INIZCTEOSA-N 1 0 277.412 2.465 10 0 CEAERO CN(c1nc2ccccc2n1C)C1CCC([NH3+])CC1 ZINC000091849533 180271200 /nfs/dbraw/zinc/27/12/00/180271200.db2.gz RHNKVPRQYKGJNC-UHFFFAOYSA-N 1 0 258.369 2.279 10 0 CEAERO CCN(C(=O)c1cc(Cl)cn1C)C1CCC([NH3+])CC1 ZINC000091850399 180272024 /nfs/dbraw/zinc/27/20/24/180272024.db2.gz DFOAWISMGBGSDX-UHFFFAOYSA-N 1 0 283.803 2.411 10 0 CEAERO CCN(C(=O)C[C@@H]1C=CCC1)C1CCC([NH3+])CC1 ZINC000091850360 180272175 /nfs/dbraw/zinc/27/21/75/180272175.db2.gz GINXHIPZAAUETK-IYXRBSQSSA-N 1 0 250.386 2.461 10 0 CEAERO CC(C)C1CCC(C[NH3+])([C@H](O)c2cncn2C)CC1 ZINC000091926039 180287549 /nfs/dbraw/zinc/28/75/49/180287549.db2.gz MNILFBYLPAYSSU-HNFVBEJKSA-N 1 0 265.401 2.245 10 0 CEAERO C[C@H]1CCC[C@@](C[NH3+])(C2(O)CN(C(=O)OC(C)(C)C)C2)C1 ZINC000091925232 180287697 /nfs/dbraw/zinc/28/76/97/180287697.db2.gz YCIUASMRHBUCHG-SWLSCSKDSA-N 1 0 298.427 2.123 10 0 CEAERO C[NH2+][C@H]1COC[C@@H]1c1nc2ccc(F)cc2s1 ZINC000091939594 180289590 /nfs/dbraw/zinc/28/95/90/180289590.db2.gz HGKBDDCIYPPCOK-WPRPVWTQSA-N 1 0 252.314 2.137 10 0 CEAERO COCC[NH2+]Cc1ncoc1-c1cccc(OC)c1OC ZINC000091959641 180292276 /nfs/dbraw/zinc/29/22/76/180292276.db2.gz VFCFOCBAUGSDQA-UHFFFAOYSA-N 1 0 292.335 2.095 10 0 CEAERO CCN(C(=O)N1CCCC1)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000091968563 180294420 /nfs/dbraw/zinc/29/44/20/180294420.db2.gz CVJFLZIKMMKJRD-CHWSQXEVSA-N 1 0 253.390 2.042 10 0 CEAERO CCC1CCC(C[NH3+])(NC(=O)N2CCCCC2)CC1 ZINC000091969076 180294592 /nfs/dbraw/zinc/29/45/92/180294592.db2.gz ZWQKJUCRKLJIDQ-UHFFFAOYSA-N 1 0 267.417 2.480 10 0 CEAERO CCCc1nsc(NC2CCC([NH2+]C)CC2)n1 ZINC000091873457 180278256 /nfs/dbraw/zinc/27/82/56/180278256.db2.gz WJXFIELHHPNVQA-UHFFFAOYSA-N 1 0 254.403 2.433 10 0 CEAERO Cc1noc([C@H]2CN(c3cc[nH+]cc3C)C[C@@H](C)O2)n1 ZINC000624583143 350318439 /nfs/dbraw/zinc/31/84/39/350318439.db2.gz IPWNQGMOSGEKFE-ZWNOBZJWSA-N 1 0 274.324 2.048 10 0 CEAERO C[C@](O)(c1ccc(Cl)cc1)C1(C[NH3+])CCOCC1 ZINC000091905691 180283990 /nfs/dbraw/zinc/28/39/90/180283990.db2.gz GVWNDQPRJHBBAR-ZDUSSCGKSA-N 1 0 269.772 2.303 10 0 CEAERO CCc1ccc([C@](C)(O)C2(C[NH3+])CCOCC2)cc1 ZINC000091906808 180284145 /nfs/dbraw/zinc/28/41/45/180284145.db2.gz ZGSNOVHNPZKKBG-HNNXBMFYSA-N 1 0 263.381 2.212 10 0 CEAERO CC(C)Oc1cccc([C@H](O)C2(C[NH3+])CCOCC2)c1 ZINC000091908799 180284541 /nfs/dbraw/zinc/28/45/41/180284541.db2.gz ZFPNJMYLHHAIII-HNNXBMFYSA-N 1 0 279.380 2.263 10 0 CEAERO CC[C@@](C)(C[NH3+])[C@@H](O)c1ccc(OC)cc1OC ZINC000091909619 180284552 /nfs/dbraw/zinc/28/45/52/180284552.db2.gz GPXOJLKSYNFVJI-KBPBESRZSA-N 1 0 253.342 2.112 10 0 CEAERO CC[C@@H](C[NH3+])[C@@H](O)c1cc2c(c(Cl)c1)OCO2 ZINC000091909965 180284625 /nfs/dbraw/zinc/28/46/25/180284625.db2.gz SYVVISDWGDEGBQ-WRWORJQWSA-N 1 0 257.717 2.087 10 0 CEAERO [NH3+]CC1([C@H](O)c2ccccc2)Cc2ccccc2C1 ZINC000091909520 180284885 /nfs/dbraw/zinc/28/48/85/180284885.db2.gz KPVJWLDXFCBHFY-MRXNPFEDSA-N 1 0 253.345 2.464 10 0 CEAERO [NH3+]C[C@@]1([C@@H](O)c2cccnc2)CCc2ccccc2C1 ZINC000091910117 180285229 /nfs/dbraw/zinc/28/52/29/180285229.db2.gz SJUWYVMNMQZLLF-DLBZAZTESA-N 1 0 268.360 2.249 10 0 CEAERO CSCC[C@H](O)[C@@]1(C[NH3+])CCc2ccccc2C1 ZINC000091917475 180285660 /nfs/dbraw/zinc/28/56/60/180285660.db2.gz PFTOHHJDXBOGTH-GJZGRUSLSA-N 1 0 265.422 2.234 10 0 CEAERO [NH3+]C[C@@]1([C@@H](O)Cc2ccccc2)COc2ccccc2C1 ZINC000091914063 180286272 /nfs/dbraw/zinc/28/62/72/180286272.db2.gz WZTQHCZJKAWTOH-ZWKOTPCHSA-N 1 0 283.371 2.170 10 0 CEAERO CC(C)[C@@H]1C[C@](O)([C@@]2(C[NH3+])CC[C@@H](C)C2)CCO1 ZINC000091918853 180286644 /nfs/dbraw/zinc/28/66/44/180286644.db2.gz NOOAHSFPEOWBIP-QPSCCSFWSA-N 1 0 255.402 2.318 10 0 CEAERO CC[C@@H]([NH3+])c1ccc(OC[C@H]2CN(CC)CCO2)cc1 ZINC000092050962 180312070 /nfs/dbraw/zinc/31/20/70/180312070.db2.gz KKLQBGXEBGMOQB-HZPDHXFCSA-N 1 0 278.396 2.196 10 0 CEAERO CC1CCC(CC[NH2+]C[C@H]2CN(C)CCO2)CC1 ZINC000092055980 180313982 /nfs/dbraw/zinc/31/39/82/180313982.db2.gz VCUIWNKNPUKKLT-NRXISQOPSA-N 1 0 254.418 2.123 10 0 CEAERO CC[NH2+]C1CCN(C(=O)N2CCCCCC2)CC1 ZINC000091970881 180295150 /nfs/dbraw/zinc/29/51/50/180295150.db2.gz KWNNJUQRJDVCEO-UHFFFAOYSA-N 1 0 253.390 2.056 10 0 CEAERO CCCN(C(=O)N1CCC[C@@H](C)C1)C(C)(C)C[NH3+] ZINC000091972921 180295984 /nfs/dbraw/zinc/29/59/84/180295984.db2.gz KGHRYSYOQYXDHA-GFCCVEGCSA-N 1 0 255.406 2.288 10 0 CEAERO CCCN(C(=O)N1CCC[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000091973080 180296378 /nfs/dbraw/zinc/29/63/78/180296378.db2.gz UWAXIBIPIGHGSN-KBPBESRZSA-N 1 0 267.417 2.302 10 0 CEAERO C[C@@H]1CCCN(C(=O)N2CCC[C@@H]2[C@@H]2CCC[NH2+]C2)C1 ZINC000091973192 180296465 /nfs/dbraw/zinc/29/64/65/180296465.db2.gz XGANPNUHBZGVNH-RBSFLKMASA-N 1 0 279.428 2.302 10 0 CEAERO C[NH2+]CCC1CCN(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000091991287 180299889 /nfs/dbraw/zinc/29/98/89/180299889.db2.gz LFOHCYIYBXRVJC-CYBMUJFWSA-N 1 0 267.417 2.160 10 0 CEAERO CC1CCN(C(=O)Nc2ccc(C(N)=[NH2+])cc2)CC1 ZINC000091993278 180300541 /nfs/dbraw/zinc/30/05/41/180300541.db2.gz HQEYXACEAYNYDB-UHFFFAOYSA-N 1 0 260.341 2.234 10 0 CEAERO CC1CCN(C(=O)N(C)c2cccc(C(N)=[NH2+])c2)CC1 ZINC000091993298 180300584 /nfs/dbraw/zinc/30/05/84/180300584.db2.gz JFYLVOFQXTYSQQ-UHFFFAOYSA-N 1 0 274.368 2.259 10 0 CEAERO CCC[NH2+]Cc1nc(C)ccc1OC1CCOCC1 ZINC000091995014 180300948 /nfs/dbraw/zinc/30/09/48/180300948.db2.gz WAXIINDAIMMDTF-UHFFFAOYSA-N 1 0 264.369 2.447 10 0 CEAERO Cc1cc(C=O)ccc1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092001898 180303866 /nfs/dbraw/zinc/30/38/66/180303866.db2.gz TWRKDCLSNMCZQN-CABCVRRESA-N 1 0 258.365 2.480 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)Nc1ccc(C(=O)OC(C)C)cc1 ZINC000092133149 180330789 /nfs/dbraw/zinc/33/07/89/180330789.db2.gz FGZAWQJCXLHOPA-NSHDSACASA-N 1 0 278.352 2.046 10 0 CEAERO COc1c(C)c[nH+]c(C[C@@H](O)C(C)(C)OC)c1C ZINC000092138437 180333552 /nfs/dbraw/zinc/33/35/52/180333552.db2.gz BPOGWOSDARAZFL-GFCCVEGCSA-N 1 0 253.342 2.035 10 0 CEAERO CC[C@H](CC[NH3+])CCc1nc(C(C)(C)OC)no1 ZINC000092138076 180333561 /nfs/dbraw/zinc/33/35/61/180333561.db2.gz ICHFVIFYYHPCGD-JTQLQIEISA-N 1 0 255.362 2.259 10 0 CEAERO CCc1nn(CC)c(C[C@@H]([NH3+])C(C)(C)OC)c1Cl ZINC000092138748 180333589 /nfs/dbraw/zinc/33/35/89/180333589.db2.gz UNSZVVFOEWSIIB-LLVKDONJSA-N 1 0 273.808 2.414 10 0 CEAERO COC(C)(C)c1noc([C@@]2([NH3+])CCC[C@H](C)C2)n1 ZINC000092137772 180333656 /nfs/dbraw/zinc/33/36/56/180333656.db2.gz GXPQHTYVPQTJSV-TVQRCGJNSA-N 1 0 253.346 2.315 10 0 CEAERO C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C(C)(C)OC ZINC000092138975 180333718 /nfs/dbraw/zinc/33/37/18/180333718.db2.gz PFJHKMUYCUEZBW-ZDUSSCGKSA-N 1 0 251.326 2.143 10 0 CEAERO C[NH2+][C@H](C)[C@@H](c1nc(C(C)(C)OC)no1)C(C)C ZINC000092141579 180334177 /nfs/dbraw/zinc/33/41/77/180334177.db2.gz REFHRYIRPADGBQ-ZJUUUORDSA-N 1 0 255.362 2.299 10 0 CEAERO CC[NH2+][C@H](C)[C@@H](CC)c1nc(C(C)(C)OC)no1 ZINC000092141458 180334335 /nfs/dbraw/zinc/33/43/35/180334335.db2.gz NMGHLZLOSIQPLN-NXEZZACHSA-N 1 0 255.362 2.443 10 0 CEAERO C[C@@H]1C[NH+](CCC(=O)Nc2ccccc2N)C[C@H]1C ZINC000092080713 180318514 /nfs/dbraw/zinc/31/85/14/180318514.db2.gz CNSXFYTXCIZCCT-VXGBXAGGSA-N 1 0 261.369 2.185 10 0 CEAERO COc1cc(N)ccc1NC(=O)CC[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000092080742 180319313 /nfs/dbraw/zinc/31/93/13/180319313.db2.gz JIHSRRRFBUONDC-RYUDHWBXSA-N 1 0 291.395 2.194 10 0 CEAERO CCC[C@@H]1C[C@](CN)([N@@H+]2C[C@H](C)[C@H](C)C2)CCO1 ZINC000092082986 180319748 /nfs/dbraw/zinc/31/97/48/180319748.db2.gz AWVZMONCWYACRL-LXTVHRRPSA-N 1 0 254.418 2.251 10 0 CEAERO COc1cc(NC(=O)[C@H]2C=C[C@H]([NH3+])C2)c(OC)cc1Cl ZINC000092201225 180342690 /nfs/dbraw/zinc/34/26/90/180342690.db2.gz PLZCDLWCTHOUON-IUCAKERBSA-N 1 0 296.754 2.199 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)Nc2cc(Cl)ccc2F)C1 ZINC000092201929 180342758 /nfs/dbraw/zinc/34/27/58/180342758.db2.gz ZWDOYGJJYADVBT-APPZFPTMSA-N 1 0 254.692 2.321 10 0 CEAERO CN(C)c1c(Cl)cccc1NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092202295 180342908 /nfs/dbraw/zinc/34/29/08/180342908.db2.gz RVVJKMSRIRZOGD-NXEZZACHSA-N 1 0 279.771 2.248 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)N(Cc2ccccc2)C2CC2)C1 ZINC000092202023 180342948 /nfs/dbraw/zinc/34/29/48/180342948.db2.gz MTCCXJCNLQCVRX-ZIAGYGMSSA-N 1 0 256.349 2.081 10 0 CEAERO C[C@H](NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1)c1cccc(OC(F)F)c1 ZINC000092202508 180342996 /nfs/dbraw/zinc/34/29/96/180342996.db2.gz MJWCPPBFPCCYML-MVWJERBFSA-N 1 0 296.317 2.369 10 0 CEAERO C[C@H](NC(=O)[C@H]1C=C[C@@H]([NH3+])C1)c1ccc(F)cc1F ZINC000092202604 180343392 /nfs/dbraw/zinc/34/33/92/180343392.db2.gz DHJMKDZVHNWCAD-ATZCPNFKSA-N 1 0 266.291 2.045 10 0 CEAERO CN(C)c1ccc(Cl)cc1NC(=O)[C@@H]1C=C[C@H]([NH3+])C1 ZINC000092203498 180343545 /nfs/dbraw/zinc/34/35/45/180343545.db2.gz ANISKEMGMMJGAB-KOLCDFICSA-N 1 0 279.771 2.248 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)Nc2ccc(N3CCCC3)c(F)c2)C1 ZINC000092204251 180343576 /nfs/dbraw/zinc/34/35/76/180343576.db2.gz KONBQANDNTUYPU-NWDGAFQWSA-N 1 0 289.354 2.268 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)Nc2cccc(N3CCCC3)c2)C1 ZINC000092204141 180343578 /nfs/dbraw/zinc/34/35/78/180343578.db2.gz QGMLKJXNPQMADN-STQMWFEESA-N 1 0 271.364 2.129 10 0 CEAERO COc1ccc(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)cc1OC(F)F ZINC000092203788 180343686 /nfs/dbraw/zinc/34/36/86/180343686.db2.gz IKRASLDAUISIFJ-BDAKNGLRSA-N 1 0 298.289 2.139 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)N(Cc2cccs2)C2CC2)C1 ZINC000092204854 180343783 /nfs/dbraw/zinc/34/37/83/180343783.db2.gz YUSQUAZHOKISJR-GHMZBOCLSA-N 1 0 262.378 2.143 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)N(Cc2ccco2)CC(F)(F)F)C1 ZINC000092204531 180343807 /nfs/dbraw/zinc/34/38/07/180343807.db2.gz XDWZMGPPUIMNIS-UWVGGRQHSA-N 1 0 288.269 2.074 10 0 CEAERO Cc1cccc(CN(C(=O)[C@@H]2C=C[C@@H]([NH3+])C2)C2CC2)c1 ZINC000092204894 180344388 /nfs/dbraw/zinc/34/43/88/180344388.db2.gz DKLZNDNFCRTHRO-HUUCEWRRSA-N 1 0 270.376 2.389 10 0 CEAERO CC[N@H+](CCC(=O)OC)C[C@@H]1COc2ccccc21 ZINC000092305667 180360138 /nfs/dbraw/zinc/36/01/38/180360138.db2.gz IJUFDUXNEMUTKW-GFCCVEGCSA-N 1 0 263.337 2.048 10 0 CEAERO CCN(C(=O)[C@H]1CSc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000092239459 180350759 /nfs/dbraw/zinc/35/07/59/180350759.db2.gz ZQKQQOKBEROZPU-OCCSQVGLSA-N 1 0 290.432 2.476 10 0 CEAERO O=C(N[C@@H]1CCCC[NH2+]C1)[C@@H]1CSc2ccccc21 ZINC000092239513 180351033 /nfs/dbraw/zinc/35/10/33/180351033.db2.gz JYLGGVPDPNLWRA-DGCLKSJQSA-N 1 0 276.405 2.134 10 0 CEAERO CCCN(C(=O)[C@H]1CSc2ccccc21)C1C[NH2+]C1 ZINC000092239750 180351732 /nfs/dbraw/zinc/35/17/32/180351732.db2.gz ZXQQPOKRRXWNNI-ZDUSSCGKSA-N 1 0 276.405 2.086 10 0 CEAERO Cn1cc(C[NH2+]C[C@H]2Cc3ccccc3S2)cn1 ZINC000092243033 180351788 /nfs/dbraw/zinc/35/17/88/180351788.db2.gz GAGGTRNICVAYIZ-CYBMUJFWSA-N 1 0 259.378 2.227 10 0 CEAERO Cc1nnc(SCCSc2ccccc2)n1CC[NH3+] ZINC000092262742 180355099 /nfs/dbraw/zinc/35/50/99/180355099.db2.gz KULYAYFKSBXAJI-UHFFFAOYSA-N 1 0 294.449 2.430 10 0 CEAERO CCCC[NH+]1CCN([C@H](C)c2nc(CC)no2)CC1 ZINC000105865513 186081104 /nfs/dbraw/zinc/08/11/04/186081104.db2.gz WMYYRHAYXRIYHH-GFCCVEGCSA-N 1 0 266.389 2.111 10 0 CEAERO C[C@@H]1CN(C[C@@H]2COc3ccccc32)C(C)(C)C[NH2+]1 ZINC000092307291 180360482 /nfs/dbraw/zinc/36/04/82/180360482.db2.gz UKVFCWRRHJZNCZ-CHWSQXEVSA-N 1 0 260.381 2.235 10 0 CEAERO CC(C)[C@@H](CN(C)C)[NH2+]C[C@H]1COc2ccccc21 ZINC000092300137 180358316 /nfs/dbraw/zinc/35/83/16/180358316.db2.gz BMWACHBOSAGTOI-DZGCQCFKSA-N 1 0 262.397 2.338 10 0 CEAERO OC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1COc2ccccc21 ZINC000092300939 180358472 /nfs/dbraw/zinc/35/84/72/180358472.db2.gz CUKNTZPMRJRVGL-JKSUJKDBSA-N 1 0 283.371 2.356 10 0 CEAERO FC(F)(F)COCC[NH2+]C[C@@H]1COc2ccccc21 ZINC000092301019 180358805 /nfs/dbraw/zinc/35/88/05/180358805.db2.gz XPIKHSMSHDQSDG-SNVBAGLBSA-N 1 0 275.270 2.331 10 0 CEAERO [NH3+]CCN(C[C@H]1COc2ccccc21)C1CCCC1 ZINC000092298943 180358832 /nfs/dbraw/zinc/35/88/32/180358832.db2.gz KVGJFPLVLYGSRY-ZDUSSCGKSA-N 1 0 260.381 2.366 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(F)cc1 ZINC000105871168 186081496 /nfs/dbraw/zinc/08/14/96/186081496.db2.gz VELJRYFZBKWPIZ-ZWNOBZJWSA-N 1 0 260.316 2.083 10 0 CEAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](C[C@@H]3CCCCO3)C2)n1 ZINC000105884700 186082779 /nfs/dbraw/zinc/08/27/79/186082779.db2.gz GVRSFAQKLIAXCY-HOTGVXAUSA-N 1 0 292.427 2.176 10 0 CEAERO Fc1ccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)cc1F ZINC000105883319 186083211 /nfs/dbraw/zinc/08/32/11/186083211.db2.gz IEAVQAAQYQXLRY-ZDUSSCGKSA-N 1 0 292.333 2.469 10 0 CEAERO COC(=O)CCC[N@H+](C)C[C@@H]1COc2ccccc21 ZINC000092305677 180360852 /nfs/dbraw/zinc/36/08/52/180360852.db2.gz AFQWPIKQTLVCFU-GFCCVEGCSA-N 1 0 263.337 2.048 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)OCc2cccc(Cl)c2)C1 ZINC000092177588 180337342 /nfs/dbraw/zinc/33/73/42/180337342.db2.gz MJMLJQJVSKIYDK-JQWIXIFHSA-N 1 0 251.713 2.287 10 0 CEAERO COc1ccccc1-c1noc([C@H]2C=C[C@@H]([NH3+])C2)n1 ZINC000092181405 180338254 /nfs/dbraw/zinc/33/82/54/180338254.db2.gz RIBULWKYEKPHLK-VHSXEESVSA-N 1 0 257.293 2.116 10 0 CEAERO FC(F)(F)COCC[NH+]1CCC(Cn2cccn2)CC1 ZINC000105887188 186084138 /nfs/dbraw/zinc/08/41/38/186084138.db2.gz FANBGSWITRPQRB-UHFFFAOYSA-N 1 0 291.317 2.174 10 0 CEAERO COCC[N@@H+]1CCN(CCOc2cccc(C)c2)C[C@H]1C ZINC000105831826 186075261 /nfs/dbraw/zinc/07/52/61/186075261.db2.gz ZJTXOVALYMDXKV-MRXNPFEDSA-N 1 0 292.423 2.026 10 0 CEAERO CCOCCN1CC[N@H+](CCC(C)C)C[C@@H]1CC ZINC000105838208 186076507 /nfs/dbraw/zinc/07/65/07/186076507.db2.gz IAZGXPNXCFPAHJ-HNNXBMFYSA-N 1 0 256.434 2.465 10 0 CEAERO Cc1cnn([C@@H]2CCC[N@H+](Cc3cccnc3)C2)c1 ZINC000105901205 186087587 /nfs/dbraw/zinc/08/75/87/186087587.db2.gz JDLRVFJFNPAANC-OAHLLOKOSA-N 1 0 256.353 2.424 10 0 CEAERO Cc1cnn([C@@H]2CCC[N@H+](CCc3ccncc3)C2)c1 ZINC000105923427 186091025 /nfs/dbraw/zinc/09/10/25/186091025.db2.gz XTSTYFXNMYQXDF-MRXNPFEDSA-N 1 0 270.380 2.466 10 0 CEAERO CCOC(=O)CC[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000105922263 186091271 /nfs/dbraw/zinc/09/12/71/186091271.db2.gz STINDBLKGJEPFF-CYBMUJFWSA-N 1 0 279.384 2.127 10 0 CEAERO CC(C)(C)OC(=O)CC[NH+]1CCC(Cn2cccn2)CC1 ZINC000105920061 186091511 /nfs/dbraw/zinc/09/15/11/186091511.db2.gz GSROHDMAHBAWKP-UHFFFAOYSA-N 1 0 293.411 2.327 10 0 CEAERO COC(=O)CC[NH2+][C@@H]1CCCc2ccc(OC)cc21 ZINC000092383500 180372393 /nfs/dbraw/zinc/37/23/93/180372393.db2.gz ZYUQQBIEYOZCFA-CQSZACIVSA-N 1 0 263.337 2.225 10 0 CEAERO Cc1nn(C)c(C)c1CN[C@H]1CCC[N@@H+](C(C)C)CC1 ZINC000092325815 180362842 /nfs/dbraw/zinc/36/28/42/180362842.db2.gz VAYMAUSNANZSLS-HNNXBMFYSA-N 1 0 278.444 2.389 10 0 CEAERO Cc1noc(C)c1[C@H](C)[NH2+][C@H]1CCN(C(C)C)C1 ZINC000092326444 180363348 /nfs/dbraw/zinc/36/33/48/180363348.db2.gz RHLZLNMNRAKOGX-GWCFXTLKSA-N 1 0 251.374 2.425 10 0 CEAERO COc1ccc([C@H](C[NH3+])NCc2ccccc2)cc1OC ZINC000106024087 186098773 /nfs/dbraw/zinc/09/87/73/186098773.db2.gz NFDJTLOOUQNBGC-HNNXBMFYSA-N 1 0 286.375 2.493 10 0 CEAERO COCC[N@@H+]1CCN(Cc2ccc(F)c(F)c2)C[C@H]1C ZINC000106109514 186102196 /nfs/dbraw/zinc/10/21/96/186102196.db2.gz SFTXOGUISPMFTP-GFCCVEGCSA-N 1 0 284.350 2.117 10 0 CEAERO CCC[NH2+][C@H]1CCN([C@@H](C)c2c(C)noc2C)C1 ZINC000092339734 180365159 /nfs/dbraw/zinc/36/51/59/180365159.db2.gz CKHOEPUUHDSLJJ-AAEUAGOBSA-N 1 0 251.374 2.426 10 0 CEAERO COC(=O)[C@@H](C[NH2+]Cc1c(C)noc1C)c1ccccc1 ZINC000092339572 180365282 /nfs/dbraw/zinc/36/52/82/180365282.db2.gz SGPIGJZPOYIQOU-HNNXBMFYSA-N 1 0 288.347 2.338 10 0 CEAERO Cc1noc(C)c1CN1CCC[NH2+]C2(CCCC2)C1 ZINC000092342657 180366268 /nfs/dbraw/zinc/36/62/68/180366268.db2.gz YZANTWQHMTURGN-UHFFFAOYSA-N 1 0 263.385 2.400 10 0 CEAERO Cc1noc(C)c1CN1C[C@@H](CC(C)C)[NH2+]C[C@@H]1C ZINC000092342731 180366603 /nfs/dbraw/zinc/36/66/03/180366603.db2.gz NKEQDKCIPBTING-SMDDNHRTSA-N 1 0 265.401 2.500 10 0 CEAERO Cc1cc(NS(=O)(=O)c2ccc(N)cc2Cl)cc[nH+]1 ZINC000092348662 180367031 /nfs/dbraw/zinc/36/70/31/180367031.db2.gz VNTZQMHGRHRCTG-UHFFFAOYSA-N 1 0 297.767 2.426 10 0 CEAERO Nc1cc(N)[nH+]c(SCc2ccnc3ccccc23)n1 ZINC000092348240 180367750 /nfs/dbraw/zinc/36/77/50/180367750.db2.gz OHCGHMLCUWTVHT-UHFFFAOYSA-N 1 0 283.360 2.482 10 0 CEAERO CNc1cccc(C[N@H+](CCOC)CC(C)C)n1 ZINC000092368803 180369666 /nfs/dbraw/zinc/36/96/66/180369666.db2.gz RXYOGMOYHWYAGR-UHFFFAOYSA-N 1 0 251.374 2.228 10 0 CEAERO CC[NH+]1CCC(N(C)Cc2cccc(NC)n2)CC1 ZINC000092369350 180369793 /nfs/dbraw/zinc/36/97/93/180369793.db2.gz RWDBYLPJSDDAGS-UHFFFAOYSA-N 1 0 262.401 2.039 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C[C@H](O)c1c(F)cccc1F ZINC000106379316 186111659 /nfs/dbraw/zinc/11/16/59/186111659.db2.gz SVUPPZBJUIQJPX-WFASDCNBSA-N 1 0 298.377 2.414 10 0 CEAERO CCNc1cccc(CN2CC[NH+](CC(C)C)CC2)n1 ZINC000092370268 180370400 /nfs/dbraw/zinc/37/04/00/180370400.db2.gz WETUWTXOJDIWNS-UHFFFAOYSA-N 1 0 276.428 2.287 10 0 CEAERO c1ncn([C@@H]2CCC[N@@H+](CCc3ccccc3)C2)n1 ZINC000105898425 186085873 /nfs/dbraw/zinc/08/58/73/186085873.db2.gz RDLNWKZGAHUGLG-OAHLLOKOSA-N 1 0 256.353 2.158 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@@H](S(=O)(=O)CC(C)C)CC2 ZINC000092388606 180374737 /nfs/dbraw/zinc/37/47/37/180374737.db2.gz LWXRADHIVHKUBP-GJZGRUSLSA-N 1 0 297.420 2.081 10 0 CEAERO CC[NH2+][C@@H]1c2cc(OC)ccc2CC[C@@H]1S(=O)(=O)CC ZINC000092388588 180374789 /nfs/dbraw/zinc/37/47/89/180374789.db2.gz GCALLKJSODTWOV-LSDHHAIUSA-N 1 0 297.420 2.095 10 0 CEAERO COC[C@H](C)[N@H+](C)[C@@H]1CCc2ccc(OC)cc2[C@@H]1O ZINC000092387842 180374854 /nfs/dbraw/zinc/37/48/54/180374854.db2.gz NOJVCFVRAQPPOC-XZJROXQQSA-N 1 0 279.380 2.010 10 0 CEAERO C[C@H](NC(=O)[C@H](Cc1ccccc1)[NH+](C)C)c1ccccn1 ZINC000106426272 186117142 /nfs/dbraw/zinc/11/71/42/186117142.db2.gz FIVFNILWBABZDY-YOEHRIQHSA-N 1 0 297.402 2.432 10 0 CEAERO COc1cc(-c2noc(CCC(C)(C)[NH3+])n2)ccc1O ZINC000106455519 186118691 /nfs/dbraw/zinc/11/86/91/186118691.db2.gz AZVNDVARMYYEHN-UHFFFAOYSA-N 1 0 277.324 2.121 10 0 CEAERO CCNc1cc[nH+]c(CN(C)[C@@H]2CCSC2)c1 ZINC000092418124 180380887 /nfs/dbraw/zinc/38/08/87/180380887.db2.gz YVBUSMSIECYIML-CYBMUJFWSA-N 1 0 251.399 2.451 10 0 CEAERO COc1cc(OC)cc(OCc2cc(N)cc[nH+]2)c1 ZINC000092419983 180381959 /nfs/dbraw/zinc/38/19/59/180381959.db2.gz CTRZVKGXNNUTTG-UHFFFAOYSA-N 1 0 260.293 2.260 10 0 CEAERO COc1cc(OC)c(-c2[nH+]c(C)n(C)c2N)c(OC)c1 ZINC000106830913 186137423 /nfs/dbraw/zinc/13/74/23/186137423.db2.gz ZGPCEWIWMDGNPJ-UHFFFAOYSA-N 1 0 277.324 2.004 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@H](N1CCCO[C@@H](C)C1)CC2 ZINC000092385812 180373550 /nfs/dbraw/zinc/37/35/50/180373550.db2.gz WVYDYSPIVOYLMV-VUCTXSBTSA-N 1 0 290.407 2.121 10 0 CEAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@@H](OCC1CCOCC1)CC2 ZINC000092386810 180374028 /nfs/dbraw/zinc/37/40/28/180374028.db2.gz LZSMHCQMHSBJFW-DLBZAZTESA-N 1 0 291.391 2.453 10 0 CEAERO COc1cc(OC)c(C(C)(C)CC[NH3+])c(OC)c1 ZINC000107295777 186167864 /nfs/dbraw/zinc/16/78/64/186167864.db2.gz WBQAXGFJSCNPED-UHFFFAOYSA-N 1 0 253.342 2.339 10 0 CEAERO CC(C)[C@@H]([NH2+]Cc1cccc(Br)c1)C(N)=O ZINC000107322899 186169077 /nfs/dbraw/zinc/16/90/77/186169077.db2.gz NDNBQIBMMFXKMB-LLVKDONJSA-N 1 0 285.185 2.049 10 0 CEAERO C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)Cn1ccnc1 ZINC000130497589 365961836 /nfs/dbraw/zinc/96/18/36/365961836.db2.gz CKZGSJLSPDOCLG-STQMWFEESA-N 1 0 259.353 2.198 10 0 CEAERO Cc1cccc(CN2CCC[C@@H](C[NH2+]C3CC3)C2)n1 ZINC000092430071 180384478 /nfs/dbraw/zinc/38/44/78/180384478.db2.gz PTEMZTLFYZGKFS-AWEZNQCLSA-N 1 0 259.397 2.354 10 0 CEAERO CC[C@@H]([NH2+]CC(C)(C)NS(C)(=O)=O)c1ccc(C)cc1 ZINC000109041121 186241682 /nfs/dbraw/zinc/24/16/82/186241682.db2.gz BLYNBHPJWQZECU-CQSZACIVSA-N 1 0 298.452 2.364 10 0 CEAERO C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000109151635 186244240 /nfs/dbraw/zinc/24/42/40/186244240.db2.gz BGSOIPIWDZDUMU-RAIGVLPGSA-N 1 0 294.345 2.136 10 0 CEAERO CNC(=O)C1CC[NH+](C[C@@H]2Cc3ccccc3S2)CC1 ZINC000092661494 180425712 /nfs/dbraw/zinc/42/57/12/180425712.db2.gz AONLUZCVTXDQGU-AWEZNQCLSA-N 1 0 290.432 2.161 10 0 CEAERO Cc1cc(NC[C@H]2CN(C)CCO2)c2ccccc2[nH+]1 ZINC000108945682 186237470 /nfs/dbraw/zinc/23/74/70/186237470.db2.gz JYPYIIHMWONLJS-ZDUSSCGKSA-N 1 0 271.364 2.286 10 0 CEAERO CC[NH2+][C@H](Cc1nc(-c2ccccn2)no1)C1CC1 ZINC000109497553 186256983 /nfs/dbraw/zinc/25/69/83/186256983.db2.gz QXJMJUBDUNHLRT-GFCCVEGCSA-N 1 0 258.325 2.062 10 0 CEAERO CCC[NH2+][C@H]1CCC[C@@H]1c1nc(-c2cnccn2)no1 ZINC000109507079 186257364 /nfs/dbraw/zinc/25/73/64/186257364.db2.gz SJWTWMOVEVXAIC-QWRGUYRKSA-N 1 0 273.340 2.162 10 0 CEAERO C[NH2+][C@H](C)CCc1nc(-c2ccc(OC)cc2)no1 ZINC000109503192 186257864 /nfs/dbraw/zinc/25/78/64/186257864.db2.gz MPLRYJMFDOYHQG-SNVBAGLBSA-N 1 0 261.325 2.286 10 0 CEAERO C[NH2+][C@H](COC)Cc1nc(-c2ccc(F)c(Cl)c2)no1 ZINC000109514017 186257972 /nfs/dbraw/zinc/25/79/72/186257972.db2.gz TZZBDKWSZGHQKP-VIFPVBQESA-N 1 0 299.733 2.306 10 0 CEAERO C[NH2+][C@@H](C)Cc1nc(C2(c3ccccc3)CC2)no1 ZINC000109513577 186258002 /nfs/dbraw/zinc/25/80/02/186258002.db2.gz PPHLILNWDWCRBV-NSHDSACASA-N 1 0 257.337 2.300 10 0 CEAERO CC[C@@H](Cc1nc(COc2ccccc2)no1)[NH2+]C ZINC000109509428 186258048 /nfs/dbraw/zinc/25/80/48/186258048.db2.gz DYPGVAXUPPFUBD-NSHDSACASA-N 1 0 261.325 2.189 10 0 CEAERO Cc1nc(Cc2noc([C@H]3CCCC[C@@H]3[NH3+])n2)cs1 ZINC000109511380 186258088 /nfs/dbraw/zinc/25/80/88/186258088.db2.gz PNOJSNIRSAOIEW-QWRGUYRKSA-N 1 0 278.381 2.410 10 0 CEAERO CC[C@H](c1nc(Cc2nc(C)cs2)no1)[C@H](C)[NH3+] ZINC000109510926 186258324 /nfs/dbraw/zinc/25/83/24/186258324.db2.gz TTZUWIMSICYXKR-IUCAKERBSA-N 1 0 266.370 2.266 10 0 CEAERO [NH3+][C@H]1CCCCC[C@@H]1c1nc(Cc2cccnc2)no1 ZINC000109510550 186258329 /nfs/dbraw/zinc/25/83/29/186258329.db2.gz BHRDXYALMHPMNZ-STQMWFEESA-N 1 0 272.352 2.430 10 0 CEAERO C[NH2+][C@H](C)Cc1nc(-c2ccc3ccccc3n2)no1 ZINC000109515207 186258390 /nfs/dbraw/zinc/25/83/90/186258390.db2.gz RFPROQBEJVTRJZ-SNVBAGLBSA-N 1 0 268.320 2.435 10 0 CEAERO C[NH2+][C@H]1CCC[C@H]1c1nc(Cc2nc(C)cs2)no1 ZINC000109510998 186258406 /nfs/dbraw/zinc/25/84/06/186258406.db2.gz JICJEQWTKNSMIW-ZJUUUORDSA-N 1 0 278.381 2.281 10 0 CEAERO CC[C@@H](Cc1nc(Cc2cccs2)no1)[NH2+]C ZINC000109510357 186258537 /nfs/dbraw/zinc/25/85/37/186258537.db2.gz XNZRBABERJDCBK-VIFPVBQESA-N 1 0 251.355 2.262 10 0 CEAERO CCC[NH2+][C@@H](Cc1nc(COC)no1)c1ccccc1 ZINC000109518877 186258785 /nfs/dbraw/zinc/25/87/85/186258785.db2.gz CWMADLJJQJGDTI-ZDUSSCGKSA-N 1 0 275.352 2.499 10 0 CEAERO C[NH2+][C@H](Cc1nc(-c2ncccc2C)no1)C(C)C ZINC000109519185 186259173 /nfs/dbraw/zinc/25/91/73/186259173.db2.gz ADTJTBQPVCDRGN-LLVKDONJSA-N 1 0 260.341 2.227 10 0 CEAERO CC[C@H]([NH3+])Cc1nc(Cc2cc(F)cc(F)c2)no1 ZINC000109516820 186259483 /nfs/dbraw/zinc/25/94/83/186259483.db2.gz FVFORAFJIDLENW-NSHDSACASA-N 1 0 267.279 2.218 10 0 CEAERO [NH3+]Cc1ccc(CNC(=O)Cc2ccc(F)cc2)c(F)c1 ZINC000109540091 186260518 /nfs/dbraw/zinc/26/05/18/186260518.db2.gz GXUCIHJIVRXMIL-UHFFFAOYSA-N 1 0 290.313 2.282 10 0 CEAERO Cc1ccoc1C(=O)NCc1ccc(C[NH3+])cc1F ZINC000109540166 186260697 /nfs/dbraw/zinc/26/06/97/186260697.db2.gz TZZIRVLACVEVCE-UHFFFAOYSA-N 1 0 262.284 2.116 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+][C@@H]2CCCOC2)c1C ZINC000109546068 186262192 /nfs/dbraw/zinc/26/21/92/186262192.db2.gz SBDIPYXUQOYJHJ-ZWNOBZJWSA-N 1 0 251.374 2.349 10 0 CEAERO CC[NH2+][C@H]1C(=O)Nc2cc(OC[C@H]3CCCCO3)ccc21 ZINC000109574178 186263755 /nfs/dbraw/zinc/26/37/55/186263755.db2.gz RFBXUZHIGMGYBQ-IUODEOHRSA-N 1 0 290.363 2.237 10 0 CEAERO CC[NH2+][C@H]1C(=O)Nc2cc(OC[C@@H]3CCCCO3)ccc21 ZINC000109574172 186264234 /nfs/dbraw/zinc/26/42/34/186264234.db2.gz RFBXUZHIGMGYBQ-SWLSCSKDSA-N 1 0 290.363 2.237 10 0 CEAERO CCC[NH2+]Cc1cc(-n2cncn2)c2ccccc2n1 ZINC000109589682 186265174 /nfs/dbraw/zinc/26/51/74/186265174.db2.gz SAVXNCBMAGQCEY-UHFFFAOYSA-N 1 0 267.336 2.315 10 0 CEAERO COc1ccc(NC(=O)C[NH2+]C(C)(C)C)cc1F ZINC000109215942 186246218 /nfs/dbraw/zinc/24/62/18/186246218.db2.gz AJNVAYBSXARNLG-UHFFFAOYSA-N 1 0 254.305 2.161 10 0 CEAERO C[NH+](C)C[C@H](NC(=O)c1cc[nH]c1)c1ccccc1 ZINC000109250013 186246394 /nfs/dbraw/zinc/24/63/94/186246394.db2.gz KZANNTFSFYTHIK-AWEZNQCLSA-N 1 0 257.337 2.047 10 0 CEAERO C[C@@H]([NH2+]CCc1nncn1C)c1ccc2c(c1)CCC2 ZINC000109421664 186251468 /nfs/dbraw/zinc/25/14/68/186251468.db2.gz DNHMUVYDPRHVOZ-GFCCVEGCSA-N 1 0 270.380 2.197 10 0 CEAERO Nc1cccc(F)c1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000109427955 186251604 /nfs/dbraw/zinc/25/16/04/186251604.db2.gz LDQJGLNAMYMSJV-GFCCVEGCSA-N 1 0 263.360 2.078 10 0 CEAERO CC(C)[NH2+][C@]1(c2nc3c(s2)CCC3)CCOC1 ZINC000109432245 186252279 /nfs/dbraw/zinc/25/22/79/186252279.db2.gz CGIVKJVPOIUKRK-CYBMUJFWSA-N 1 0 252.383 2.245 10 0 CEAERO CC(C)(C[NH3+])N1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000109449903 186253023 /nfs/dbraw/zinc/25/30/23/186253023.db2.gz CANKMNUJQLKPKS-UHFFFAOYSA-N 1 0 295.471 2.228 10 0 CEAERO CC[C@@H](c1noc(C2CCCC2)n1)N1CC[NH2+]CC1 ZINC000109474516 186254688 /nfs/dbraw/zinc/25/46/88/186254688.db2.gz DUZJJCPNVDPOSN-LBPRGKRZSA-N 1 0 264.373 2.084 10 0 CEAERO C[C@@H](c1nc(C2CC2)cc(C2CC2)n1)N1CC[NH2+]CC1 ZINC000109475675 186254937 /nfs/dbraw/zinc/25/49/37/186254937.db2.gz VCTKEBAMDHPJTR-NSHDSACASA-N 1 0 272.396 2.198 10 0 CEAERO CCC[C@@H](c1nc(C)c(CC)c(C)n1)N1CC[NH2+]CC1 ZINC000109476092 186255060 /nfs/dbraw/zinc/25/50/60/186255060.db2.gz JUVVOVYQPZJIRS-HNNXBMFYSA-N 1 0 276.428 2.402 10 0 CEAERO CCOC(=O)[C@@](C)(C[N@H+](CCC(C)C)C1CC1)NC ZINC000109956386 186280986 /nfs/dbraw/zinc/28/09/86/186280986.db2.gz JULAWLWEUIGNJK-OAHLLOKOSA-N 1 0 270.417 2.038 10 0 CEAERO Cc1ccc(F)cc1NC(=O)CN1CCC([C@H](C)[NH3+])CC1 ZINC000110649848 186310296 /nfs/dbraw/zinc/31/02/96/186310296.db2.gz XVPCGNHEEGDFAF-LBPRGKRZSA-N 1 0 293.386 2.132 10 0 CEAERO C[NH+](C)[C@@H]1CCN(c2cccc(Cl)c2C(N)=S)C1 ZINC000110278286 186289605 /nfs/dbraw/zinc/28/96/05/186289605.db2.gz STJQLJNQQOERFD-SECBINFHSA-N 1 0 283.828 2.115 10 0 CEAERO C[NH2+][C@@H](Cc1nc(-c2cccc(C)n2)no1)C(C)C ZINC000110476115 186298412 /nfs/dbraw/zinc/29/84/12/186298412.db2.gz WCPXCTYRTFGKFG-LBPRGKRZSA-N 1 0 260.341 2.227 10 0 CEAERO CCC[C@@]1(c2nc(-c3cccc(C)n3)no2)CC[NH2+]C1 ZINC000110480716 186298830 /nfs/dbraw/zinc/29/88/30/186298830.db2.gz CAYOQFSIFCDMLZ-OAHLLOKOSA-N 1 0 272.352 2.471 10 0 CEAERO C[NH2+][C@@H](C)Cc1nc(-c2ccc3ncccc3c2)no1 ZINC000110514329 186300477 /nfs/dbraw/zinc/30/04/77/186300477.db2.gz VDDXRFVYQBRAGF-JTQLQIEISA-N 1 0 268.320 2.435 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](O[C@@H]1CCOC1)c1ccc(OC)cc1 ZINC000110525811 186300970 /nfs/dbraw/zinc/30/09/70/186300970.db2.gz SXONPPFREXHFFP-KFWWJZLASA-N 1 0 265.353 2.279 10 0 CEAERO COc1cc([C@@H]([NH3+])[C@H]2CCOC2)cc(Cl)c1OC ZINC000110533691 186301700 /nfs/dbraw/zinc/30/17/00/186301700.db2.gz PVTAYKMJKNTEPB-UFBFGSQYSA-N 1 0 271.744 2.394 10 0 CEAERO C[NH2+]C[C@H](O[C@H]1CCOC1)c1cccc(Cl)c1 ZINC000110529573 186302148 /nfs/dbraw/zinc/30/21/48/186302148.db2.gz FNYBLYJHKCOREI-STQMWFEESA-N 1 0 255.745 2.406 10 0 CEAERO CC1CCC(C[NH2+]C2CC2)(O[C@H]2CCOC2)CC1 ZINC000110530336 186302194 /nfs/dbraw/zinc/30/21/94/186302194.db2.gz UDBYRHXJCSCZEY-BLZCZZARSA-N 1 0 253.386 2.493 10 0 CEAERO O[C@@]1(c2cccc(OC(F)(F)F)c2)CCC[NH2+]C1 ZINC000110551266 186303043 /nfs/dbraw/zinc/30/30/43/186303043.db2.gz WNUABNCOERYVGB-NSHDSACASA-N 1 0 261.243 2.156 10 0 CEAERO CC(C)Oc1cc(N2CC[C@@H]([NH+](C)C)C2)c(N)cc1F ZINC000110641416 186307357 /nfs/dbraw/zinc/30/73/57/186307357.db2.gz SAUYPAAQABTKAK-LLVKDONJSA-N 1 0 281.375 2.335 10 0 CEAERO CCOc1cc(N2CCC[C@H]2C[NH+](C)C)c(N)cc1F ZINC000110634612 186307893 /nfs/dbraw/zinc/30/78/93/186307893.db2.gz QRRHAMDBTAIJKS-NSHDSACASA-N 1 0 281.375 2.337 10 0 CEAERO CCOc1cc(N2CC[C@H]([NH+]3CCCC3)C2)c(N)cc1F ZINC000110634714 186307919 /nfs/dbraw/zinc/30/79/19/186307919.db2.gz RDUDOBFALQBDBY-LBPRGKRZSA-N 1 0 293.386 2.481 10 0 CEAERO CC[C@@]1(C(=O)N2CCC[C@H](C)CC2)CCC[NH2+]C1 ZINC000110814931 186326559 /nfs/dbraw/zinc/32/65/59/186326559.db2.gz FFOAPJKAOIVRLR-DZGCQCFKSA-N 1 0 252.402 2.415 10 0 CEAERO C[NH2+][C@@](C)(CCCC[N@H+](C)CC1CCCC1)C(=O)[O-] ZINC000110841015 186328975 /nfs/dbraw/zinc/32/89/75/186328975.db2.gz AIHPKCVIFLIWIK-HNNXBMFYSA-N 1 0 270.417 2.341 10 0 CEAERO COc1ccc(OC)c([C@H](C)N(C)[C@@H]2CCC[NH2+]C2)c1 ZINC000110926186 186333211 /nfs/dbraw/zinc/33/32/11/186333211.db2.gz JKXDJOBNYLPBIQ-QWHCGFSZSA-N 1 0 278.396 2.449 10 0 CEAERO CCCc1nc(CN(C)[C@@H]2CCC[NH2+]C2)cs1 ZINC000110931138 186333338 /nfs/dbraw/zinc/33/33/38/186333338.db2.gz GDBUGTYPHSKROE-GFCCVEGCSA-N 1 0 253.415 2.279 10 0 CEAERO C[C@H](c1ccc2c(c1)OCCO2)N(C)[C@@H]1CCC[NH2+]C1 ZINC000110926653 186333536 /nfs/dbraw/zinc/33/35/36/186333536.db2.gz WJBRNBCWYQDDHO-TZMCWYRMSA-N 1 0 276.380 2.203 10 0 CEAERO CCCN(C(=O)c1cc(Cl)cn1C)[C@@H]1CCC[NH2+]C1 ZINC000110940756 186334448 /nfs/dbraw/zinc/33/44/48/186334448.db2.gz DDEFMZKERNNBDL-GFCCVEGCSA-N 1 0 283.803 2.283 10 0 CEAERO CCCN(Cc1c(C)nn(C)c1C)[C@@H]1CCC[NH2+]C1 ZINC000110938755 186334545 /nfs/dbraw/zinc/33/45/45/186334545.db2.gz VOXNDQDTVKLSSR-CQSZACIVSA-N 1 0 264.417 2.001 10 0 CEAERO CCN(C(=O)c1ccc2ccccc2n1)[C@@H]1CCC[NH2+]C1 ZINC000110939881 186334747 /nfs/dbraw/zinc/33/47/47/186334747.db2.gz RDPKPVKRVLOHAY-CQSZACIVSA-N 1 0 283.375 2.449 10 0 CEAERO CCN(C(=O)c1cc2ccccc2[nH]1)[C@H]1CCC[NH2+]C1 ZINC000110939807 186335035 /nfs/dbraw/zinc/33/50/35/186335035.db2.gz ZQXQVRFSOVZBMY-ZDUSSCGKSA-N 1 0 271.364 2.382 10 0 CEAERO CCN(CC(=O)Nc1ccc(C)c(C)c1)[C@H]1CCC[NH2+]C1 ZINC000110943509 186335219 /nfs/dbraw/zinc/33/52/19/186335219.db2.gz WSRPSLOGKRRQPI-INIZCTEOSA-N 1 0 289.423 2.316 10 0 CEAERO CCCN(c1cc(Cl)ccc1C(N)=O)[C@H]1CCC[NH2+]C1 ZINC000110947939 186335532 /nfs/dbraw/zinc/33/55/32/186335532.db2.gz MYYBFJRQFOPEDQ-LBPRGKRZSA-N 1 0 295.814 2.407 10 0 CEAERO Cc1ccc([C@H](C)[NH3+])c(O[C@@H](C)C(=O)NC2CC2)c1 ZINC000110958221 186336407 /nfs/dbraw/zinc/33/64/07/186336407.db2.gz RCMVNAHKZWQWNK-QWRGUYRKSA-N 1 0 262.353 2.061 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](C)c1nc(Cc2nc3ccccc3[nH]2)no1 ZINC000110951441 186336671 /nfs/dbraw/zinc/33/66/71/186336671.db2.gz VZVHWGHAOGYLFA-NXEZZACHSA-N 1 0 285.351 2.378 10 0 CEAERO C[NH2+][C@@H](C)[C@@H](C)c1nc(Cc2nc3ccccc3[nH]2)no1 ZINC000110951486 186336761 /nfs/dbraw/zinc/33/67/61/186336761.db2.gz ZQTZJDXTWPICKW-ZJUUUORDSA-N 1 0 285.351 2.248 10 0 CEAERO C[NH2+][C@H](C)c1ccc(C)cc1O[C@H](C)C(=O)OC ZINC000110960304 186336867 /nfs/dbraw/zinc/33/68/67/186336867.db2.gz ZXSHNESLXHQCJG-GHMZBOCLSA-N 1 0 251.326 2.216 10 0 CEAERO C[C@@H]1CN(Cc2ccc(N)cc2Br)CC[N@@H+]1C ZINC000110701255 186314263 /nfs/dbraw/zinc/31/42/63/186314263.db2.gz WDPSLBKSQQSKDX-SNVBAGLBSA-N 1 0 298.228 2.167 10 0 CEAERO C[C@@H]1CN(CCCC(=O)c2cccs2)CC[N@@H+]1C ZINC000110727305 186318265 /nfs/dbraw/zinc/31/82/65/186318265.db2.gz JZJHMUCFMYMLEX-GFCCVEGCSA-N 1 0 266.410 2.347 10 0 CEAERO C[N@@H+]1CCN(CCC(=O)c2cccc(F)c2)CC1(C)C ZINC000110744208 186318883 /nfs/dbraw/zinc/31/88/83/186318883.db2.gz AIKCJRZTVFCNLH-UHFFFAOYSA-N 1 0 278.371 2.425 10 0 CEAERO CC[C@H]1CN(Cc2cc3ccccc3nc2N)CC[N@@H+]1C ZINC000110742877 186319030 /nfs/dbraw/zinc/31/90/30/186319030.db2.gz KGTQEJCKRPSXGG-HNNXBMFYSA-N 1 0 284.407 2.343 10 0 CEAERO C[C@H]1CN(CCNc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000110756524 186319761 /nfs/dbraw/zinc/31/97/61/186319761.db2.gz RMUPJBAQIFCEIR-LBPRGKRZSA-N 1 0 267.804 2.388 10 0 CEAERO CCOC(CC[N@H+](CCO)C1CCCC1)OCC ZINC000110785679 186324536 /nfs/dbraw/zinc/32/45/36/186324536.db2.gz MOKWABYYHVOUSO-UHFFFAOYSA-N 1 0 259.390 2.013 10 0 CEAERO CCOC(CCN1CC[NH+]([C@@H](C)CC)CC1)OCC ZINC000110785931 186324581 /nfs/dbraw/zinc/32/45/81/186324581.db2.gz MDBYPYKYQOQTCO-AWEZNQCLSA-N 1 0 272.433 2.192 10 0 CEAERO CCOC(CC[NH+]1CCC(OCC)CC1)OCC ZINC000110785141 186324782 /nfs/dbraw/zinc/32/47/82/186324782.db2.gz MJXLJJNXGJEMPB-UHFFFAOYSA-N 1 0 259.390 2.277 10 0 CEAERO COc1cc(N(CC[NH+](C)C)CC(C)C)ccc1N ZINC000111053914 186348613 /nfs/dbraw/zinc/34/86/13/186348613.db2.gz WLSFIBVIHQXMRQ-UHFFFAOYSA-N 1 0 265.401 2.301 10 0 CEAERO C[NH2+][C@H](C)c1ccccc1SCCS(C)(=O)=O ZINC000111005167 186342300 /nfs/dbraw/zinc/34/23/00/186342300.db2.gz WXJMMARKCAOFGV-SNVBAGLBSA-N 1 0 273.423 2.104 10 0 CEAERO Nc1cccc(Cl)c1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000111012838 186343460 /nfs/dbraw/zinc/34/34/60/186343460.db2.gz AWLHSROZHUKIAK-NSHDSACASA-N 1 0 293.798 2.233 10 0 CEAERO O=C1CC[C@@H]([NH2+][C@@H](c2cccs2)C2CC2)CN1 ZINC000111016180 186344039 /nfs/dbraw/zinc/34/40/39/186344039.db2.gz NBEGWOQRMUNMHB-ZWNOBZJWSA-N 1 0 250.367 2.067 10 0 CEAERO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCC(=O)NC1 ZINC000111018502 186344747 /nfs/dbraw/zinc/34/47/47/186344747.db2.gz OZZLVBPMEXNAMQ-FRRDWIJNSA-N 1 0 252.402 2.460 10 0 CEAERO NC(=S)c1cc(F)ccc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000111032140 186346359 /nfs/dbraw/zinc/34/63/59/186346359.db2.gz XUFMXYAHVFVABD-SNVBAGLBSA-N 1 0 279.384 2.109 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]CC2(O)CCC2)c1C ZINC000130798122 365992333 /nfs/dbraw/zinc/99/23/33/365992333.db2.gz MQBOYJIMUXNMFZ-JTQLQIEISA-N 1 0 251.374 2.085 10 0 CEAERO CC[C@@H]([NH3+])[C@H](N(C)C[C@@H]1CCCOC1)C(F)(F)F ZINC000111154865 186360745 /nfs/dbraw/zinc/36/07/45/186360745.db2.gz AOJAEEKTZNIOPO-AXFHLTTASA-N 1 0 268.323 2.013 10 0 CEAERO COc1ccc(C[N@H+](C)CC2CCOCC2)cc1N ZINC000111156159 186361582 /nfs/dbraw/zinc/36/15/82/186361582.db2.gz VVROWJINUGHZRT-UHFFFAOYSA-N 1 0 264.369 2.136 10 0 CEAERO CCC[NH2+][C@@H]1CCC[C@@H]1N(C)C[C@@H]1CCCOC1 ZINC000111160594 186362697 /nfs/dbraw/zinc/36/26/97/186362697.db2.gz FAJKZQIXTNLWJM-ZNMIVQPWSA-N 1 0 254.418 2.266 10 0 CEAERO CN(CC1CCOCC1)[C@H](C[NH3+])c1c(F)cccc1F ZINC000111159629 186362911 /nfs/dbraw/zinc/36/29/11/186362911.db2.gz WOQCYLCCJMJYKL-CQSZACIVSA-N 1 0 284.350 2.323 10 0 CEAERO O[C@@H](C[NH2+]CC1CCOCC1)c1ccc(F)cc1F ZINC000111161786 186363562 /nfs/dbraw/zinc/36/35/62/186363562.db2.gz VEPKMEWSWCIUCD-AWEZNQCLSA-N 1 0 271.307 2.014 10 0 CEAERO CCCOCCOC[C@@H]1CC[C@H](C[NH2+]CC(C)C)O1 ZINC000111111336 186353626 /nfs/dbraw/zinc/35/36/26/186353626.db2.gz QNCDSMRAULMPNO-CABCVRRESA-N 1 0 273.417 2.223 10 0 CEAERO CCOCCN(CC)C[C@@H]([NH2+]C)c1ccc2c(c1)OCO2 ZINC000111119142 186355101 /nfs/dbraw/zinc/35/51/01/186355101.db2.gz TWILBNGMKUIETJ-CQSZACIVSA-N 1 0 294.395 2.034 10 0 CEAERO C[C@H](O)c1ccc(N(C)CCC[NH+](C)C)c(F)c1 ZINC000111139399 186357497 /nfs/dbraw/zinc/35/74/97/186357497.db2.gz XRYMVDLLTINZGM-NSHDSACASA-N 1 0 254.349 2.267 10 0 CEAERO CN(CC[C@@H](O)c1ccc(Cl)cc1)CC[NH+](C)C ZINC000111148561 186359374 /nfs/dbraw/zinc/35/93/74/186359374.db2.gz TUCVJWKWCNPILD-CQSZACIVSA-N 1 0 270.804 2.257 10 0 CEAERO CN(C)c1nnc(S[C@@H]2CCCC[C@@H]2C[NH3+])s1 ZINC000111316274 186396128 /nfs/dbraw/zinc/39/61/28/186396128.db2.gz NCYXCFCXHTVRMO-RKDXNWHRSA-N 1 0 272.443 2.214 10 0 CEAERO CN(C)c1nnc(S[C@@H](C[NH3+])c2cccs2)s1 ZINC000111315623 186396249 /nfs/dbraw/zinc/39/62/49/186396249.db2.gz SDIHERJROLTSKH-QMMMGPOBSA-N 1 0 286.451 2.458 10 0 CEAERO Cc1ccc([C@@H](C[NH3+])Sc2nnc(N(C)C)s2)o1 ZINC000111315412 186396454 /nfs/dbraw/zinc/39/64/54/186396454.db2.gz OJCMEDUKCQNAAS-SECBINFHSA-N 1 0 284.410 2.298 10 0 CEAERO Cc1ccc(C[N@@H+](C)C[C@]2(CO)CCCOC2)cc1 ZINC000111331084 186399419 /nfs/dbraw/zinc/39/94/19/186399419.db2.gz UCLLOCQCWGBCDN-INIZCTEOSA-N 1 0 263.381 2.216 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCOc2ccccc21 ZINC000111239334 186375052 /nfs/dbraw/zinc/37/50/52/186375052.db2.gz ROYMIDREASKJNM-VYHDIPPYSA-N 1 0 286.375 2.033 10 0 CEAERO CC[C@@H](NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)C(C)C ZINC000111246264 186376010 /nfs/dbraw/zinc/37/60/10/186376010.db2.gz VAWODYGEWNBJSZ-KOLCDFICSA-N 1 0 266.307 2.079 10 0 CEAERO CC[C@@H](NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)C(C)C ZINC000111246269 186376459 /nfs/dbraw/zinc/37/64/59/186376459.db2.gz VAWODYGEWNBJSZ-MWLCHTKSSA-N 1 0 266.307 2.079 10 0 CEAERO CC[C@H](NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)C(C)C ZINC000111246262 186376580 /nfs/dbraw/zinc/37/65/80/186376580.db2.gz VAWODYGEWNBJSZ-ONGXEEELSA-N 1 0 266.307 2.079 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1c1nc(Cc2cc(F)cc(F)c2)no1 ZINC000111256531 186378998 /nfs/dbraw/zinc/37/89/98/186378998.db2.gz SGMSINKEEDEKPC-PRHODGIISA-N 1 0 279.290 2.262 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1c1nnc2ccc(C(F)(F)F)cn21 ZINC000111256148 186379783 /nfs/dbraw/zinc/37/97/83/186379783.db2.gz HLWLHASUWKDXRG-IONNQARKSA-N 1 0 270.258 2.071 10 0 CEAERO CCOc1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2C)cc1OCC ZINC000111263127 186380138 /nfs/dbraw/zinc/38/01/38/186380138.db2.gz ZUYAZDZQBRXKCB-AAEUAGOBSA-N 1 0 292.379 2.278 10 0 CEAERO COc1ccc(NC(=O)[C@H]2C[NH2+]C[C@H]2C)cc1Cl ZINC000111262839 186380200 /nfs/dbraw/zinc/38/02/00/186380200.db2.gz VWFZQTPXHTZQSE-SCZZXKLOSA-N 1 0 268.744 2.143 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccccc1N1CCCC1 ZINC000111265162 186381882 /nfs/dbraw/zinc/38/18/82/186381882.db2.gz KYPNDJVSPDKAMD-STQMWFEESA-N 1 0 273.380 2.081 10 0 CEAERO Cc1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2C)c(Cl)c1 ZINC000111263783 186382176 /nfs/dbraw/zinc/38/21/76/186382176.db2.gz DSEACWHXBZQDCL-UWVGGRQHSA-N 1 0 252.745 2.442 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc(Cl)c1N(C)C ZINC000111264496 186382203 /nfs/dbraw/zinc/38/22/03/186382203.db2.gz ZHVIJOMSMOJNNS-VHSXEESVSA-N 1 0 281.787 2.200 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000111268001 186382442 /nfs/dbraw/zinc/38/24/42/186382442.db2.gz LNBWDPZXNVGXLB-FZMZJTMJSA-N 1 0 296.798 2.033 10 0 CEAERO CCN(Cc1cccc(F)c1)C(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000111268184 186383179 /nfs/dbraw/zinc/38/31/79/186383179.db2.gz HTQRQKYDEFISLQ-RISCZKNCSA-N 1 0 264.344 2.030 10 0 CEAERO CCC(=O)Nc1cccc(NC(=O)[C@H]2C[NH2+]C[C@H]2C)c1C ZINC000111266954 186383186 /nfs/dbraw/zinc/38/31/86/186383186.db2.gz MVNQMQDDSNALFK-PWSUYJOCSA-N 1 0 289.379 2.138 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc(N2CCCC2)c1 ZINC000111267502 186383416 /nfs/dbraw/zinc/38/34/16/186383416.db2.gz XGIBZPMTBRXHDA-IUODEOHRSA-N 1 0 273.380 2.081 10 0 CEAERO COc1cccc([C@H]2CCCN2C(=O)[C@@H]2C[NH2+]C[C@@H]2C)c1 ZINC000111268461 186383734 /nfs/dbraw/zinc/38/37/34/186383734.db2.gz OBRUAXHRXQTVRX-APHBMKBZSA-N 1 0 288.391 2.214 10 0 CEAERO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000111268483 186383942 /nfs/dbraw/zinc/38/39/42/186383942.db2.gz VLWPUQLPOYPUEY-JBLDHEPKSA-N 1 0 282.334 2.340 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N(C)CCOc1ccccc1Cl ZINC000111268339 186384366 /nfs/dbraw/zinc/38/43/66/186384366.db2.gz HSONUTQSZYYKCY-NEPJUHHUSA-N 1 0 296.798 2.033 10 0 CEAERO CCN(C(=O)[C@@H]1C[NH2+]C[C@@H]1C)[C@@H](C)c1cccc(O)c1 ZINC000111269972 186384541 /nfs/dbraw/zinc/38/45/41/186384541.db2.gz CNJWQYCYPLZBAI-SLEUVZQESA-N 1 0 276.380 2.157 10 0 CEAERO CC[N@@H+]1CC[C@H](CNc2ncnc(Cl)c2C)C1 ZINC000111296628 186392990 /nfs/dbraw/zinc/39/29/90/186392990.db2.gz QBJSULLSIMPITE-SNVBAGLBSA-N 1 0 254.765 2.192 10 0 CEAERO CCCN(C(=O)c1ccc2c(c1)COC2)[C@H]1CCC[NH2+]C1 ZINC000111305459 186393484 /nfs/dbraw/zinc/39/34/84/186393484.db2.gz DUTWQAUNVOTCCY-INIZCTEOSA-N 1 0 288.391 2.321 10 0 CEAERO COCCN(CC(C)C)c1nc2sccn2c1CC[NH3+] ZINC000111483599 186422914 /nfs/dbraw/zinc/42/29/14/186422914.db2.gz ITFDTADRHTYFCD-UHFFFAOYSA-N 1 0 296.440 2.006 10 0 CEAERO C[C@@H]([NH3+])Cc1c(N(C)[C@@H]2CCSC2)nc2sccn12 ZINC000111492329 186423315 /nfs/dbraw/zinc/42/33/15/186423315.db2.gz CNLZPSUDQDPSBZ-NXEZZACHSA-N 1 0 296.465 2.227 10 0 CEAERO C[C@H]1CCC[C@@H](C(=O)NCC2(C)CCCC2)[C@@H]1[NH3+] ZINC000111624598 186433126 /nfs/dbraw/zinc/43/31/26/186433126.db2.gz YGXQPBOZAKZZDA-YNEHKIRRSA-N 1 0 252.402 2.446 10 0 CEAERO CC1(CNC(=O)[C@H]2CCC[C@H](C[NH3+])C2)CCCC1 ZINC000111624646 186433281 /nfs/dbraw/zinc/43/32/81/186433281.db2.gz JUJYZMPPVWPNIP-STQMWFEESA-N 1 0 252.402 2.448 10 0 CEAERO CCN(C(=O)CN1CCCC[C@H]1C[NH2+]C(C)(C)C)C1CC1 ZINC000111703779 186448160 /nfs/dbraw/zinc/44/81/60/186448160.db2.gz KDRXUGZWGBJZMN-HNNXBMFYSA-N 1 0 295.471 2.240 10 0 CEAERO C[C@@H]1CCC[C@](C[NH3+])(NC(=O)c2ccc3c(c2)CCO3)C1 ZINC000111369567 186407615 /nfs/dbraw/zinc/40/76/15/186407615.db2.gz QUZJDKANPWUEHS-PXAZEXFGSA-N 1 0 288.391 2.259 10 0 CEAERO CO[C@H](C(=O)N1CCC[C@@H]1CCC[NH3+])c1ccccc1 ZINC000111370878 186408823 /nfs/dbraw/zinc/40/88/23/186408823.db2.gz DBGAJCCGCXMCJQ-GJZGRUSLSA-N 1 0 276.380 2.104 10 0 CEAERO COc1ccc(C(=O)N2CCC[C@H]2CCC[NH3+])cc1F ZINC000111371111 186408825 /nfs/dbraw/zinc/40/88/25/186408825.db2.gz UZJFJACQVMPTOK-GFCCVEGCSA-N 1 0 280.343 2.178 10 0 CEAERO CCc1cc(N[C@H](C[NH3+])Cc2ccccc2)ncn1 ZINC000111376569 186409383 /nfs/dbraw/zinc/40/93/83/186409383.db2.gz DLEUYPRVSFRIKB-AWEZNQCLSA-N 1 0 256.353 2.021 10 0 CEAERO Cc1ccc2c(c1)C(=O)N([C@@]1(C[NH3+])CCC[C@@H](C)C1)C2=O ZINC000111382528 186411447 /nfs/dbraw/zinc/41/14/47/186411447.db2.gz QTNQJFCNOIVGSS-PXAZEXFGSA-N 1 0 286.375 2.499 10 0 CEAERO C[C@H]([NH2+][C@@H]1CC(=O)N(C2CCCC2)C1=O)C1CCCC1 ZINC000112254727 186477456 /nfs/dbraw/zinc/47/74/56/186477456.db2.gz DDBKLHPLWUMXHL-SMDDNHRTSA-N 1 0 278.396 2.225 10 0 CEAERO CN1CC[C@H]([NH3+])[C@@H]1c1cccc(Br)c1 ZINC000069798748 363001337 /nfs/dbraw/zinc/00/13/37/363001337.db2.gz WWETYTHXTSHEFV-QWRGUYRKSA-N 1 0 255.159 2.153 10 0 CEAERO CC[NH2+][C@@H]1C(=O)Nc2cc(-n3cc(Cl)c(C)n3)ccc21 ZINC000112927294 186541098 /nfs/dbraw/zinc/54/10/98/186541098.db2.gz AMIMFTZLRJWFET-ZDUSSCGKSA-N 1 0 290.754 2.437 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1CCOc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000113383864 186575122 /nfs/dbraw/zinc/57/51/22/186575122.db2.gz BHOMDUDUIBQZFS-UMVBOHGHSA-N 1 0 288.391 2.057 10 0 CEAERO CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000629587605 351424073 /nfs/dbraw/zinc/42/40/73/351424073.db2.gz OCJBHAAPSIQPBG-LSDHHAIUSA-N 1 0 263.381 2.125 10 0 CEAERO C[C@@H]1CCN(C(=O)C(C)(C)c2ccccc2)C[C@H]1[NH3+] ZINC000070146241 363036933 /nfs/dbraw/zinc/03/69/33/363036933.db2.gz QNTASXPLNNJKFR-TZMCWYRMSA-N 1 0 260.381 2.160 10 0 CEAERO CC[C@@H]1CO[C@H](C)C[N@@H+]1C[C@H](O)COCc1ccccc1 ZINC000070194897 363053443 /nfs/dbraw/zinc/05/34/43/363053443.db2.gz FKURSMOSYWSBIP-OIISXLGYSA-N 1 0 293.407 2.063 10 0 CEAERO CC[C@@H]1CO[C@@H](C)C[N@@H+]1C[C@H](O)COCc1ccccc1 ZINC000070194901 363053687 /nfs/dbraw/zinc/05/36/87/363053687.db2.gz FKURSMOSYWSBIP-UAGQMJEPSA-N 1 0 293.407 2.063 10 0 CEAERO C[C@@H](NC(=O)C(C)(C)[C@H]1CCC[NH2+]C1)c1ccccn1 ZINC000120044842 186871707 /nfs/dbraw/zinc/87/17/07/186871707.db2.gz FPGVCKOGTRUSSV-OLZOCXBDSA-N 1 0 275.396 2.285 10 0 CEAERO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000120047171 186871825 /nfs/dbraw/zinc/87/18/25/186871825.db2.gz TZQDEFXRFZCIFS-RWMBFGLXSA-N 1 0 273.442 2.368 10 0 CEAERO C[C@@H](CC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)C(C)(C)C ZINC000261559198 295827642 /nfs/dbraw/zinc/82/76/42/295827642.db2.gz DPEMLDGRIMNNIS-SWLSCSKDSA-N 1 0 252.402 2.271 10 0 CEAERO [NH3+][C@H]1CCCN(c2ccc(-c3cccs3)nn2)C1 ZINC000070458416 363086002 /nfs/dbraw/zinc/08/60/02/363086002.db2.gz SIXVRESPOKOYBH-JTQLQIEISA-N 1 0 260.366 2.133 10 0 CEAERO CCOc1ccc(-c2ccc(N3CCC[C@H]([NH3+])C3)nn2)cc1 ZINC000070458939 363086087 /nfs/dbraw/zinc/08/60/87/363086087.db2.gz BJVHRWXTKHQZKT-AWEZNQCLSA-N 1 0 298.390 2.470 10 0 CEAERO [NH3+][C@H]1CCN(c2nccn3nc(-c4ccc(F)cc4)cc23)C1 ZINC000070458562 363086153 /nfs/dbraw/zinc/08/61/53/363086153.db2.gz ICYSOPPCDYJEIH-ZDUSSCGKSA-N 1 0 297.337 2.073 10 0 CEAERO Fc1cccc(-c2cc(N3CCC[NH2+]CC3)n[nH]2)c1 ZINC000070460010 363087375 /nfs/dbraw/zinc/08/73/75/363087375.db2.gz RHJABYZXPPKGCL-UHFFFAOYSA-N 1 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CCn1cc(C2CC[NH+](Cc3cncn3C)CC2)cn1 ZINC000177033770 189022469 /nfs/dbraw/zinc/02/24/69/189022469.db2.gz UBBBBKBJSZEXJI-UHFFFAOYSA-N 1 0 273.384 2.016 10 0 CEAERO CCc1nc(CC(=O)N(C)C[C@H]2CCC[N@H+]2CC)cs1 ZINC000177042349 189023152 /nfs/dbraw/zinc/02/31/52/189023152.db2.gz FNVDOLQTKXHVJB-CYBMUJFWSA-N 1 0 295.452 2.191 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1nc(C)cs1 ZINC000177320336 189043968 /nfs/dbraw/zinc/04/39/68/189043968.db2.gz ADIHALNITRFFRS-GFCCVEGCSA-N 1 0 296.440 2.077 10 0 CEAERO CCOc1ccccc1[C@@H](C)[NH2+][C@@H](C)CS(C)(=O)=O ZINC000081901646 363745282 /nfs/dbraw/zinc/74/52/82/363745282.db2.gz IEKQHOSEATUAAJ-NWDGAFQWSA-N 1 0 285.409 2.169 10 0 CEAERO C[NH2+]C[C@@H]1CCCN1c1ccnc(C(F)(F)F)c1 ZINC000261557948 283567085 /nfs/dbraw/zinc/56/70/85/283567085.db2.gz CXDISNFFWVTTBN-JTQLQIEISA-N 1 0 259.275 2.289 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]2CN(c3ccc(Cl)cn3)C[C@@H]21 ZINC000230133258 283579158 /nfs/dbraw/zinc/57/91/58/283579158.db2.gz KAQLMQHYJKKCJU-ADEWGFFLSA-N 1 0 251.761 2.299 10 0 CEAERO Cc1ccc(CC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1O ZINC000180352218 189251052 /nfs/dbraw/zinc/25/10/52/189251052.db2.gz ZCNWRTRFAPRDOH-DZGCQCFKSA-N 1 0 290.407 2.088 10 0 CEAERO CC[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1cc(C)ccc1OC ZINC000180490883 189258462 /nfs/dbraw/zinc/25/84/62/189258462.db2.gz RKPLLEFTJSZURI-GDBMZVCRSA-N 1 0 292.423 2.375 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc2c(c1)CCC2 ZINC000180582459 189263446 /nfs/dbraw/zinc/26/34/46/189263446.db2.gz WYVMSELXHBIVOB-MLGOLLRUSA-N 1 0 282.391 2.432 10 0 CEAERO CCc1cc(-c2ccccc2)nn(CC[NH+](C)C)c1=O ZINC000003624294 361286853 /nfs/dbraw/zinc/28/68/53/361286853.db2.gz JJKNEVNXGSPGQZ-UHFFFAOYSA-N 1 0 271.364 2.034 10 0 CEAERO CC[C@H](C)[C@H]([NH3+])C(=O)N(C)Cc1ncc(C)c(OC)c1C ZINC000182100624 189313923 /nfs/dbraw/zinc/31/39/23/189313923.db2.gz PGQFHVYIGAOTAD-HZMBPMFUSA-N 1 0 293.411 2.039 10 0 CEAERO COc1ccccc1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000182396439 189322232 /nfs/dbraw/zinc/32/22/32/189322232.db2.gz RESAVUWHRLDETG-OAHLLOKOSA-N 1 0 290.407 2.180 10 0 CEAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)OCC(F)(F)F ZINC000083704946 363784934 /nfs/dbraw/zinc/78/49/34/363784934.db2.gz SYLNSGJFFGIYKB-VHSXEESVSA-N 1 0 280.290 2.244 10 0 CEAERO C[C@@H](C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)N(C)C ZINC000083799402 363787234 /nfs/dbraw/zinc/78/72/34/363787234.db2.gz SMRJXXRZFPUNJB-UONOGXRCSA-N 1 0 299.459 2.173 10 0 CEAERO COC(=O)[C@H]1CC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000083798919 363787584 /nfs/dbraw/zinc/78/75/84/363787584.db2.gz VFOVKYLVBSMZND-ZDUSSCGKSA-N 1 0 270.332 2.230 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]C[C@H]2CCCO2)C1 ZINC000083799118 363787637 /nfs/dbraw/zinc/78/76/37/363787637.db2.gz QALOGWXYQCTNLX-ZIAGYGMSSA-N 1 0 298.427 2.402 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCOc1ccccc1 ZINC000083550749 363780066 /nfs/dbraw/zinc/78/00/66/363780066.db2.gz ZYPXSBLUWKEQFM-HUUCEWRRSA-N 1 0 260.381 2.234 10 0 CEAERO CCCS(=O)(=O)CC[NH2+][C@H](C)c1cccs1 ZINC000182548640 189327362 /nfs/dbraw/zinc/32/73/62/189327362.db2.gz KNTJOLBLBMOMCT-SNVBAGLBSA-N 1 0 261.412 2.224 10 0 CEAERO COC(=O)c1cccc(OCC[NH2+][C@@H](C)[C@@H]2CCCO2)c1 ZINC000183122728 189347476 /nfs/dbraw/zinc/34/74/76/189347476.db2.gz NDEMZKALIHNRQH-WFASDCNBSA-N 1 0 293.363 2.009 10 0 CEAERO Cc1ccccc1NC(=O)CC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000183145439 189348136 /nfs/dbraw/zinc/34/81/36/189348136.db2.gz AQQHVUNWVFVQAQ-UKRRQHHQSA-N 1 0 276.380 2.481 10 0 CEAERO C[C@H]([NH2+]Cc1cc(=O)oc2cc(O)ccc12)[C@@H]1CCCO1 ZINC000183180136 189349089 /nfs/dbraw/zinc/34/90/89/189349089.db2.gz VHVKKIDSWVIJBT-HZMBPMFUSA-N 1 0 289.331 2.156 10 0 CEAERO CC(C)c1nc2c(n1C)CC[N@H+](CCCn1ccnc1)C2 ZINC000183176314 189349488 /nfs/dbraw/zinc/34/94/88/189349488.db2.gz DTWYJMDFXAPNDP-UHFFFAOYSA-N 1 0 287.411 2.188 10 0 CEAERO CCOc1cncc(N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)n1 ZINC000301697530 201147439 /nfs/dbraw/zinc/14/74/39/201147439.db2.gz NTSJGMQZNVQVNI-VXGBXAGGSA-N 1 0 264.373 2.016 10 0 CEAERO Nc1c[nH+]ccc1N1CCN(c2ccc(F)cc2)CC1 ZINC000019763562 361549690 /nfs/dbraw/zinc/54/96/90/361549690.db2.gz HHMDYAKZNXFEGY-UHFFFAOYSA-N 1 0 272.327 2.130 10 0 CEAERO Cc1ccc(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)nc1 ZINC000184251841 189380527 /nfs/dbraw/zinc/38/05/27/189380527.db2.gz ABHOWHIXFPBMRJ-QWHCGFSZSA-N 1 0 276.384 2.240 10 0 CEAERO Cc1cccc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)n1 ZINC000026323487 361638936 /nfs/dbraw/zinc/63/89/36/361638936.db2.gz FMHWTLQYUWBQSB-MRXNPFEDSA-N 1 0 283.375 2.423 10 0 CEAERO CC(C)(C)[NH2+]C[C@@H](O)COC(=O)c1ccccc1Cl ZINC000025970343 361634512 /nfs/dbraw/zinc/63/45/12/361634512.db2.gz WPWJCMXOPDAHCR-SNVBAGLBSA-N 1 0 285.771 2.246 10 0 CEAERO c1ccc([C@]2(C3=[NH+]CCN3)COc3ccccc3O2)cc1 ZINC000026002575 361634619 /nfs/dbraw/zinc/63/46/19/361634619.db2.gz IYDBIPFBXGYQOK-KRWDZBQOSA-N 1 0 280.327 2.355 10 0 CEAERO O=C(Cc1ccc(Cl)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000027932906 361663205 /nfs/dbraw/zinc/66/32/05/361663205.db2.gz XKBGFCOOKCSVNW-AWEZNQCLSA-N 1 0 278.783 2.189 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]Cc2cccn2C)C12CCOCC2 ZINC000186367982 189437403 /nfs/dbraw/zinc/43/74/03/189437403.db2.gz CIEHYTGCPMWUKJ-LSDHHAIUSA-N 1 0 278.396 2.089 10 0 CEAERO CCOc1ccccc1OC[C@H](O)C[NH2+]CC(C)C ZINC000032115327 361728128 /nfs/dbraw/zinc/72/81/28/361728128.db2.gz BZNJLXYFLDXNEY-CYBMUJFWSA-N 1 0 267.369 2.071 10 0 CEAERO Fc1ccc2c(c1)OCCN2C[C@H]1CCC[NH2+]C1 ZINC000084885329 363824138 /nfs/dbraw/zinc/82/41/38/363824138.db2.gz NQXUFHRBWCUKMT-NSHDSACASA-N 1 0 250.317 2.024 10 0 CEAERO CCn1c(C[NH2+]C[C@H]2CCC[C@H]2O)nc2ccccc21 ZINC000089165048 363944614 /nfs/dbraw/zinc/94/46/14/363944614.db2.gz XISMOAJHCUIGME-IUODEOHRSA-N 1 0 273.380 2.307 10 0 CEAERO CC(C)[NH+](CCn1cc2[nH]cccc-2c1=O)C(C)C ZINC000089223364 363949927 /nfs/dbraw/zinc/94/99/27/363949927.db2.gz TXRSXYAIVVXSQL-UHFFFAOYSA-N 1 0 261.369 2.156 10 0 CEAERO CCCC[C@H](COC)[NH2+][C@H]1CCCn2nc(C)nc21 ZINC000090225289 364050851 /nfs/dbraw/zinc/05/08/51/364050851.db2.gz SCOQWLCIHAHKMQ-OLZOCXBDSA-N 1 0 266.389 2.216 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccncc1Cl ZINC000092632251 364090739 /nfs/dbraw/zinc/09/07/39/364090739.db2.gz KFSFJJXNDNXCSH-NSHDSACASA-N 1 0 281.787 2.291 10 0 CEAERO c1ncc(C[N@H+]2CC[C@H](CNc3ccccn3)C2)s1 ZINC000092812495 364110726 /nfs/dbraw/zinc/11/07/26/364110726.db2.gz VJKLHFCCXWRNCL-GFCCVEGCSA-N 1 0 274.393 2.472 10 0 CEAERO Cc1ccccc1C1(CNC(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000237694152 370745512 /nfs/dbraw/zinc/74/55/12/370745512.db2.gz ROUQRRVZXSTGBR-KBPBESRZSA-N 1 0 272.392 2.270 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC[C@H]1CCCC12CC2 ZINC000638794890 370756333 /nfs/dbraw/zinc/75/63/33/370756333.db2.gz HSCVUNXZELHRGL-XQQFMLRXSA-N 1 0 250.386 2.058 10 0 CEAERO [NH3+]CCCOC1CCN(c2ncc(Cl)cc2F)CC1 ZINC000094073064 364250278 /nfs/dbraw/zinc/25/02/78/364250278.db2.gz FAOHBOGADDMZDK-UHFFFAOYSA-N 1 0 287.766 2.208 10 0 CEAERO CCN1CCC[C@H]([NH2+][C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000094424057 364273327 /nfs/dbraw/zinc/27/33/27/364273327.db2.gz YRANKUUYSJNKPK-QWHCGFSZSA-N 1 0 254.418 2.406 10 0 CEAERO CCOc1nc2ccccc2nc1N(C)C[C@H]1CC[NH2+]C1 ZINC000095069677 364329881 /nfs/dbraw/zinc/32/98/81/364329881.db2.gz DYIFHOQVWATTOM-LBPRGKRZSA-N 1 0 286.379 2.074 10 0 CEAERO Clc1nc2ccccc2nc1NC[C@@H]1CCC[NH2+]1 ZINC000095070460 364330887 /nfs/dbraw/zinc/33/08/87/364330887.db2.gz FDKJCPZZEZDEFK-VIFPVBQESA-N 1 0 262.744 2.447 10 0 CEAERO C[NH2+][C@@H]1CCCN(Cc2ccc(Br)nc2)C1 ZINC000095071499 364332272 /nfs/dbraw/zinc/33/22/72/364332272.db2.gz BOLWZZVCMVGJJL-LLVKDONJSA-N 1 0 284.201 2.028 10 0 CEAERO Brc1cccc(OC[C@@H]2CCCC[NH2+]2)n1 ZINC000095092353 364338942 /nfs/dbraw/zinc/33/89/42/364338942.db2.gz LZYWSHLITAGHEH-VIFPVBQESA-N 1 0 271.158 2.365 10 0 CEAERO CCC[C@H](C(=O)N1CC(C)(C)OC(C)(C)C1)[NH+](C)C ZINC000188923334 283761390 /nfs/dbraw/zinc/76/13/90/283761390.db2.gz PZGVZGANQMEDAG-GFCCVEGCSA-N 1 0 270.417 2.133 10 0 CEAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCNC2=O)cc1F ZINC000094837846 364304347 /nfs/dbraw/zinc/30/43/47/364304347.db2.gz RBQQISAEHXMJGA-GXFFZTMASA-N 1 0 250.317 2.063 10 0 CEAERO Cc1ccc(CN(C)C(=O)[C@H]2CCC[NH2+][C@H]2C)s1 ZINC000335012044 364348918 /nfs/dbraw/zinc/34/89/18/364348918.db2.gz PGCMZUPWANMFOI-AAEUAGOBSA-N 1 0 266.410 2.403 10 0 CEAERO c1nc2c([nH]1)C[N@H+](CCc1c[nH]c3ccccc13)CC2 ZINC000095377085 364351192 /nfs/dbraw/zinc/35/11/92/364351192.db2.gz WROUBQDABGWMIJ-UHFFFAOYSA-N 1 0 266.348 2.492 10 0 CEAERO C[C@H](C[NH3+])[C@@H](O)c1cccc(F)c1Br ZINC000156252674 366828511 /nfs/dbraw/zinc/82/85/11/366828511.db2.gz NVJNJNBTFZXIHM-LHLIQPBNSA-N 1 0 262.122 2.216 10 0 CEAERO c1n[nH]cc1[C@@H]1CCCCN1CC[NH+]1CCCCC1 ZINC000158163280 366853868 /nfs/dbraw/zinc/85/38/68/366853868.db2.gz UMRLDZUSXIJARI-HNNXBMFYSA-N 1 0 262.401 2.423 10 0 CEAERO [NH3+]CCSc1ccc(I)cc1 ZINC000098095839 364531972 /nfs/dbraw/zinc/53/19/72/364531972.db2.gz TXVXTIGZFUDEBS-UHFFFAOYSA-N 1 0 279.146 2.342 10 0 CEAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cnc(C2CC2)nc1 ZINC000103241758 364635980 /nfs/dbraw/zinc/63/59/80/364635980.db2.gz OMXBNKQSZVLHNW-NSHDSACASA-N 1 0 291.399 2.206 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)c2coc3ccccc23)C1 ZINC000113170048 364873761 /nfs/dbraw/zinc/87/37/61/364873761.db2.gz CLLIIXBGDRRWDA-NSHDSACASA-N 1 0 258.321 2.209 10 0 CEAERO Cc1noc(C)c1[C@H](C)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113225745 364876977 /nfs/dbraw/zinc/87/69/77/364876977.db2.gz QZCSMYXUALQCLB-MJVIPROJSA-N 1 0 291.395 2.090 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CSc1ccccc1 ZINC000113223743 364877034 /nfs/dbraw/zinc/87/70/34/364877034.db2.gz FZOURKHDMSEUEN-ZIAGYGMSSA-N 1 0 290.432 2.474 10 0 CEAERO Cc1ccc(NC(=O)CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1 ZINC000113267646 364880469 /nfs/dbraw/zinc/88/04/69/364880469.db2.gz ACNRQFQKBKXHOH-GOEBONIOSA-N 1 0 287.407 2.102 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCOc1ccccc1F ZINC000113271148 364882232 /nfs/dbraw/zinc/88/22/32/364882232.db2.gz CFMUHDUZVUWIDS-ZIAGYGMSSA-N 1 0 278.371 2.373 10 0 CEAERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCS[C@H](C)C1 ZINC000113403995 364891904 /nfs/dbraw/zinc/89/19/04/364891904.db2.gz LFAGVKYJHJGKTJ-KGLIPLIRSA-N 1 0 299.484 2.398 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(N(C)C)c1 ZINC000113444787 364895212 /nfs/dbraw/zinc/89/52/12/364895212.db2.gz DREZXOUWNQTOMF-CZUORRHYSA-N 1 0 287.407 2.061 10 0 CEAERO Cn1cc([C@H]2CC[N@H+](Cc3ccc4c(c3)OCCO4)C2)cn1 ZINC000116315307 365050023 /nfs/dbraw/zinc/05/00/23/365050023.db2.gz VBPRBHQVHQZFIC-AWEZNQCLSA-N 1 0 299.374 2.181 10 0 CEAERO C[C@H]1C[C@H]1[NH2+]Cc1ccccc1OCC(=O)NCC1CC1 ZINC000116338860 365051113 /nfs/dbraw/zinc/05/11/13/365051113.db2.gz RBMSAKYJZPGLAA-SWLSCSKDSA-N 1 0 288.391 2.090 10 0 CEAERO CC(C)CCOCC[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116407682 365053664 /nfs/dbraw/zinc/05/36/64/365053664.db2.gz BADUBYLONIDLED-AWEZNQCLSA-N 1 0 265.401 2.272 10 0 CEAERO CCOCC[N@@H+]1CCN(C(=O)NCCC(C)C)C[C@H]1CC ZINC000117023499 365088726 /nfs/dbraw/zinc/08/87/26/365088726.db2.gz KPTDCDBDWDHKHL-OAHLLOKOSA-N 1 0 299.459 2.175 10 0 CEAERO CCOCC[N@@H+]1CCN(C(=O)N[C@@H](C)C(C)C)C[C@@H]1CC ZINC000117024421 365089055 /nfs/dbraw/zinc/08/90/55/365089055.db2.gz HEHHZLOSQWTURP-GJZGRUSLSA-N 1 0 299.459 2.173 10 0 CEAERO COCCCC[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000117876702 365130127 /nfs/dbraw/zinc/13/01/27/365130127.db2.gz HGFZMDIARAPNSV-CQSZACIVSA-N 1 0 263.385 2.242 10 0 CEAERO CCSCC[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000119107526 365218140 /nfs/dbraw/zinc/21/81/40/365218140.db2.gz XGCUNRGYYMQEBT-ZDUSSCGKSA-N 1 0 280.441 2.130 10 0 CEAERO Cc1cc(NC(=O)N2CC[C@H]([NH+](C)C)C2)cnc1Cl ZINC000119466377 365276674 /nfs/dbraw/zinc/27/66/74/365276674.db2.gz TZJTYRUYPUOCCC-NSHDSACASA-N 1 0 282.775 2.211 10 0 CEAERO CCC[C@@H](C(=O)NC[C@H](C)c1c(C)noc1C)[NH+](C)C ZINC000120366214 365414109 /nfs/dbraw/zinc/41/41/09/365414109.db2.gz IBNUDDLULKJOIK-GWCFXTLKSA-N 1 0 281.400 2.241 10 0 CEAERO CS[C@H](C)CNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000120785810 365475838 /nfs/dbraw/zinc/47/58/38/365475838.db2.gz QUPNSNNJEHFGTM-OCCSQVGLSA-N 1 0 295.452 2.340 10 0 CEAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc(NS(C)(=O)=O)cc1 ZINC000120469790 365429657 /nfs/dbraw/zinc/42/96/57/365429657.db2.gz OCKXPZNSVZKDEA-GBIKHYSHSA-N 1 0 268.382 2.117 10 0 CEAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CC[C@@H]1CCOC1=O ZINC000120495690 365432259 /nfs/dbraw/zinc/43/22/59/365432259.db2.gz VXANFTJLPQCODF-ZIAGYGMSSA-N 1 0 291.395 2.127 10 0 CEAERO CCc1noc([C@H](C)N2CC[NH+](C[C@@H](C)CC)CC2)n1 ZINC000120502305 365433760 /nfs/dbraw/zinc/43/37/60/365433760.db2.gz ZQQOEYVYFMTHSR-STQMWFEESA-N 1 0 280.416 2.357 10 0 CEAERO CC[C@H]1CN(Cc2cc(F)cc(F)c2)CC[N@@H+]1C[C@@H](C)O ZINC000120681340 365460162 /nfs/dbraw/zinc/46/01/62/365460162.db2.gz LQDBOZKDTLVATF-WBMJQRKESA-N 1 0 298.377 2.242 10 0 CEAERO CCC[C@@H](C(=O)Nc1ccc(C)cc1O)[NH+](C)C ZINC000159279306 366896634 /nfs/dbraw/zinc/89/66/34/366896634.db2.gz CKCUDHCSDXHBDO-LBPRGKRZSA-N 1 0 250.342 2.369 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](C)CC(C)(C)OC ZINC000245420558 370817010 /nfs/dbraw/zinc/81/70/10/370817010.db2.gz MWCQFRZHJLNVNH-KGLIPLIRSA-N 1 0 299.459 2.316 10 0 CEAERO Cc1ccc(Br)c(CN[C@@H]2CC[NH2+]C2)c1 ZINC000335562828 212271774 /nfs/dbraw/zinc/27/17/74/212271774.db2.gz XIAHTYZDUDWSLP-LLVKDONJSA-N 1 0 269.186 2.209 10 0 CEAERO C[N@@H+](Cc1ccc2c[nH]nc2c1)C[C@H]1CCc2nccn2C1 ZINC000583622093 367073136 /nfs/dbraw/zinc/07/31/36/367073136.db2.gz LDFFPGRKPHMCHM-CQSZACIVSA-N 1 0 295.390 2.454 10 0 CEAERO Cc1ccc(OC(F)F)c(CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000162015756 367129861 /nfs/dbraw/zinc/12/98/61/367129861.db2.gz PALJKPRZHKGZMM-PWSUYJOCSA-N 1 0 298.333 2.340 10 0 CEAERO CCC[C@@H](C(=O)Nc1ccn(CC(F)(F)F)n1)[NH+](C)C ZINC000162610173 367174411 /nfs/dbraw/zinc/17/44/11/367174411.db2.gz DLPSBMAEDFPZIH-VIFPVBQESA-N 1 0 292.305 2.114 10 0 CEAERO C[C@H]1CN(C(=O)c2c(F)cccc2Cl)C[C@H]1C[NH3+] ZINC000638884351 370818828 /nfs/dbraw/zinc/81/88/28/370818828.db2.gz HEBDCYZHBREJIJ-DTWKUNHWSA-N 1 0 270.735 2.146 10 0 CEAERO Cc1cc(Cl)ccc1OCC(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638885599 370819345 /nfs/dbraw/zinc/81/93/45/370819345.db2.gz OTEYPCHZKSYGBM-NWDGAFQWSA-N 1 0 296.798 2.080 10 0 CEAERO Cc1cc(Cl)ccc1OCC(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638885600 370819747 /nfs/dbraw/zinc/81/97/47/370819747.db2.gz OTEYPCHZKSYGBM-RYUDHWBXSA-N 1 0 296.798 2.080 10 0 CEAERO CSc1ccc(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000638886562 370820432 /nfs/dbraw/zinc/82/04/32/370820432.db2.gz LMSVODXCBANYLT-JQWIXIFHSA-N 1 0 264.394 2.075 10 0 CEAERO C[C@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@@H]1C[NH3+] ZINC000638888302 370822289 /nfs/dbraw/zinc/82/22/89/370822289.db2.gz XIZAPWOEDSEYTN-ONGXEEELSA-N 1 0 252.745 2.007 10 0 CEAERO C[C@@H]1CN(C(=O)c2ccc(Cl)cc2F)C[C@H]1C[NH3+] ZINC000638889869 370823008 /nfs/dbraw/zinc/82/30/08/370823008.db2.gz RDOFUQXRLLHRSA-RKDXNWHRSA-N 1 0 270.735 2.146 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)N[C@@H]1CCCC[C@H]1C ZINC000245459028 370823502 /nfs/dbraw/zinc/82/35/02/370823502.db2.gz DELMPPCBUJBNRK-BZUAXINKSA-N 1 0 295.471 2.097 10 0 CEAERO CC[C@H]1CC[C@H](C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)CC1 ZINC000638898050 370828550 /nfs/dbraw/zinc/82/85/50/370828550.db2.gz HINSATCPDUXFMM-XDQVBPFNSA-N 1 0 252.402 2.256 10 0 CEAERO c1ncn(C[C@@H]2CCC[N@H+](C[C@@H]3CC=CCC3)C2)n1 ZINC000245509130 370830211 /nfs/dbraw/zinc/83/02/11/370830211.db2.gz TZPDOPIHWBOICU-HUUCEWRRSA-N 1 0 260.385 2.346 10 0 CEAERO COCc1ccsc1C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000245515230 370832072 /nfs/dbraw/zinc/83/20/72/370832072.db2.gz DGFANCSGJBYFOK-YPMHNXCESA-N 1 0 294.420 2.203 10 0 CEAERO CC[C@@H]1CN(Cc2ccc(C)s2)CC[N@@H+]1C[C@H](C)O ZINC000245705226 370860679 /nfs/dbraw/zinc/86/06/79/370860679.db2.gz DZDWJLKUHCDAEY-GXTWGEPZSA-N 1 0 282.453 2.334 10 0 CEAERO C[NH+](C)C[C@H](NC(=O)Cc1ccoc1)c1ccccc1 ZINC000163776514 367264720 /nfs/dbraw/zinc/26/47/20/367264720.db2.gz WIYHBTXKMXQAJJ-HNNXBMFYSA-N 1 0 272.348 2.241 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)NCCc2cccc(Cl)c2)C1 ZINC000170826119 367426548 /nfs/dbraw/zinc/42/65/48/367426548.db2.gz ZTWJUGNXTJTNRJ-AWEZNQCLSA-N 1 0 295.814 2.228 10 0 CEAERO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1C[C@@H]1C)c1ccco1 ZINC000170813245 367421803 /nfs/dbraw/zinc/42/18/03/367421803.db2.gz HDVUQZZRDGVXLU-YNEHKIRRSA-N 1 0 279.384 2.370 10 0 CEAERO Cc1cc(F)ccc1NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000171071547 367471712 /nfs/dbraw/zinc/47/17/12/367471712.db2.gz HBWGKMYABCJBFS-LBPRGKRZSA-N 1 0 265.332 2.302 10 0 CEAERO COCc1ccccc1NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000171076805 367472678 /nfs/dbraw/zinc/47/26/78/367472678.db2.gz ZWDDMGWFASYEOL-ZDUSSCGKSA-N 1 0 277.368 2.001 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)NCCc2ccccc2Cl)C1 ZINC000170834830 367429418 /nfs/dbraw/zinc/42/94/18/367429418.db2.gz RAEUPMPOZFTRIV-ZDUSSCGKSA-N 1 0 295.814 2.228 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000170834879 367429459 /nfs/dbraw/zinc/42/94/59/367429459.db2.gz KUHITZIXFREUHV-KFWWJZLASA-N 1 0 291.370 2.027 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)NCc2cccc(Cl)c2)C1 ZINC000170861733 367434907 /nfs/dbraw/zinc/43/49/07/367434907.db2.gz ZFGZZOVWKQYOLJ-CYBMUJFWSA-N 1 0 281.787 2.186 10 0 CEAERO COc1ccccc1[C@H](C)CC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000171303157 367518497 /nfs/dbraw/zinc/51/84/97/367518497.db2.gz PCTGCZCDZMEFKN-KGLIPLIRSA-N 1 0 290.407 2.351 10 0 CEAERO C[C@H]1CN(Cc2csc(C3CC3)n2)C[C@H]1C[NH3+] ZINC000631839071 367579345 /nfs/dbraw/zinc/57/93/45/367579345.db2.gz ZKNOWSDHEOOMQX-GXSJLCMTSA-N 1 0 251.399 2.047 10 0 CEAERO CC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c1 ZINC000171620786 367580042 /nfs/dbraw/zinc/58/00/42/367580042.db2.gz YXUHBHIIZHMNIQ-MRXNPFEDSA-N 1 0 299.378 2.074 10 0 CEAERO CCCc1nc(CN2C[C@H](C)[C@@H](C[NH3+])C2)cs1 ZINC000631840946 367580735 /nfs/dbraw/zinc/58/07/35/367580735.db2.gz WTKMFELXRDHGCH-QWRGUYRKSA-N 1 0 253.415 2.122 10 0 CEAERO CCCc1nc(CN2C[C@@H](C)[C@@H](C[NH3+])C2)cs1 ZINC000631840945 367581861 /nfs/dbraw/zinc/58/18/61/367581861.db2.gz WTKMFELXRDHGCH-MNOVXSKESA-N 1 0 253.415 2.122 10 0 CEAERO COCCN(CC[NH+](C)C)C(=O)N[C@H](C)c1cccs1 ZINC000171587037 367573574 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CCC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[C@@H](SCC)C1 ZINC000246654972 370990745 /nfs/dbraw/zinc/99/07/45/370990745.db2.gz LLKGZIUXUYOULV-UTUOFQBUSA-N 1 0 258.431 2.246 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cncc(C)c1 ZINC000189964069 369582876 /nfs/dbraw/zinc/58/28/76/369582876.db2.gz HYWJXQHPUCFCBR-JKSUJKDBSA-N 1 0 259.397 2.449 10 0 CEAERO Cc1ccnc(N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)n1 ZINC000190449844 369625558 /nfs/dbraw/zinc/62/55/58/369625558.db2.gz PRBJSQPQXHSHLN-INIZCTEOSA-N 1 0 297.406 2.138 10 0 CEAERO CCOC(=O)C1CCC(O)(C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000191440924 369714223 /nfs/dbraw/zinc/71/42/23/369714223.db2.gz PKHPEKARPVUSQA-HLIUYOAVSA-N 1 0 283.412 2.203 10 0 CEAERO CC(C)(O)C[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192462512 369816292 /nfs/dbraw/zinc/81/62/92/369816292.db2.gz HXVTXDZBPDWYGX-UHFFFAOYSA-N 1 0 279.355 2.491 10 0 CEAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H](C)c1ccnn1C ZINC000192249617 369785134 /nfs/dbraw/zinc/78/51/34/369785134.db2.gz YVOKFKFFVLEJQC-CHWSQXEVSA-N 1 0 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/nfs/dbraw/zinc/90/28/86/371902886.db2.gz BLMYOIPEQFUHNC-XRGAULLZSA-N 1 0 272.392 2.307 10 0 CEAERO C/C(=C/c1nc([C@H]2C[NH2+]CCN2C)no1)C(C)(C)C ZINC000263229787 371932606 /nfs/dbraw/zinc/93/26/06/371932606.db2.gz NFMPEHJCWDNGAW-HIJJYWJESA-N 1 0 264.373 2.095 10 0 CEAERO [NH3+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000237956243 189895167 /nfs/dbraw/zinc/89/51/67/189895167.db2.gz IZNHEYGLBMLEEG-BFHYXJOUSA-N 1 0 278.783 2.393 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCc2cccc(OCC(F)F)c2)C1 ZINC000237991439 189896691 /nfs/dbraw/zinc/89/66/91/189896691.db2.gz YQUSWDAXUBUHBC-VXGBXAGGSA-N 1 0 298.333 2.074 10 0 CEAERO [NH3+][C@H]1CCC[C@@H](C(=O)NC2(c3ccccc3F)CC2)C1 ZINC000238011475 189897545 /nfs/dbraw/zinc/89/75/45/189897545.db2.gz RWXUCZGGCJFNJE-NEPJUHHUSA-N 1 0 276.355 2.449 10 0 CEAERO CC1([NH3+])CCN(c2ccncc2Br)CC1 ZINC000643028252 372918298 /nfs/dbraw/zinc/91/82/98/372918298.db2.gz CFWGDWAMJAIDAS-UHFFFAOYSA-N 1 0 270.174 2.162 10 0 CEAERO CO[C@@H]1C[C@H](CO)[N@H+](CCCCc2ccccc2)C1 ZINC000344701120 217280389 /nfs/dbraw/zinc/28/03/89/217280389.db2.gz DDQJDRSBWWQHGL-HZPDHXFCSA-N 1 0 263.381 2.091 10 0 CEAERO C[C@H]1C[C@H]1c1ccc(CCC(=O)N2C[C@@H](C)[C@H]([NH3+])C2)o1 ZINC000643600320 373211826 /nfs/dbraw/zinc/21/18/26/373211826.db2.gz HOCDHQQWXHIJKQ-OIMNJJJWSA-N 1 0 276.380 2.141 10 0 CEAERO CC[C@H](C)N(Cc1ccccc1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643620561 373224892 /nfs/dbraw/zinc/22/48/92/373224892.db2.gz AQSONRRQOIPUIO-GOEBONIOSA-N 1 0 290.407 2.050 10 0 CEAERO Cc1c2cccc(F)c2oc1C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000643590107 373207797 /nfs/dbraw/zinc/20/77/97/373207797.db2.gz NAZBXUZJHQEYSY-SKDRFNHKSA-N 1 0 276.311 2.442 10 0 CEAERO CC[C@H](NC(=O)[C@H]1C[NH2+]CCOC1)c1cccc(Cl)c1 ZINC000643633808 373227016 /nfs/dbraw/zinc/22/70/16/373227016.db2.gz SADWQBXEMRCEOU-JSGCOSHPSA-N 1 0 296.798 2.143 10 0 CEAERO C[C@@H](c1cccc(Cl)c1)N(C)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643633601 373227430 /nfs/dbraw/zinc/22/74/30/373227430.db2.gz NDPDYRLCNFANQJ-WCQYABFASA-N 1 0 296.798 2.095 10 0 CEAERO CCC[C@@H](CC)NC(=O)C1(CCOC)CC[NH2+]CC1 ZINC000643666554 373233000 /nfs/dbraw/zinc/23/30/00/373233000.db2.gz SXZBQHQKLMCCSR-CYBMUJFWSA-N 1 0 270.417 2.088 10 0 CEAERO COCCC1(C(=O)N2CCCC[C@@H](C)C2)CC[NH2+]CC1 ZINC000643793929 373268406 /nfs/dbraw/zinc/26/84/06/373268406.db2.gz KRTABCBBTQXABM-CQSZACIVSA-N 1 0 282.428 2.041 10 0 CEAERO COC[C@]1(c2nc(-c3ccc(F)cc3)no2)CCC[NH2+]1 ZINC000643935942 373305715 /nfs/dbraw/zinc/30/57/15/373305715.db2.gz PUSWLYNXVGZVJC-AWEZNQCLSA-N 1 0 277.299 2.101 10 0 CEAERO C[C@@H](NC(=O)[C@H]1[NH2+]CC1(C)C)c1ccc(F)c(F)c1 ZINC000644007407 373336023 /nfs/dbraw/zinc/33/60/23/373336023.db2.gz XKRHDGIXKIDGRD-PRHODGIISA-N 1 0 268.307 2.140 10 0 CEAERO C[C@@H](NC(=O)[C@H]1C[NH2+]CCC1(F)F)c1cccs1 ZINC000644016492 373340086 /nfs/dbraw/zinc/34/00/86/373340086.db2.gz XEWZOOVJYWSDPL-RKDXNWHRSA-N 1 0 274.336 2.170 10 0 CEAERO COc1ccc(C)cc1[C@@H](C)NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000644089457 373401132 /nfs/dbraw/zinc/40/11/32/373401132.db2.gz YFOJDPVNMWIFGU-RISCZKNCSA-N 1 0 276.380 2.179 10 0 CEAERO Brc1cccc(CN2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000272390468 373460828 /nfs/dbraw/zinc/46/08/28/373460828.db2.gz HCIFDGBHAPGFJS-LBPRGKRZSA-N 1 0 296.212 2.124 10 0 CEAERO C[C@H](CCc1ccccc1)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000247169629 220219015 /nfs/dbraw/zinc/21/90/15/220219015.db2.gz RALALFVGNMIERE-SJLPKXTDSA-N 1 0 288.435 2.414 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N(CC)CCC(F)(F)F ZINC000645815065 374203404 /nfs/dbraw/zinc/20/34/04/374203404.db2.gz YYDRCDBHLDBGRD-DTWKUNHWSA-N 1 0 254.296 2.161 10 0 CEAERO CN(Cc1ccc(Br)o1)C[C@@H]1CC[N@H+](C)C1 ZINC000276768425 374294561 /nfs/dbraw/zinc/29/45/61/374294561.db2.gz NXSHZMHZKBRPJF-SNVBAGLBSA-N 1 0 287.201 2.426 10 0 CEAERO C[C@@H]1CCC[C@H](CCNC(=O)[C@H]2CCC[C@@H]2[NH3+])C1 ZINC000251922408 189973010 /nfs/dbraw/zinc/97/30/10/189973010.db2.gz USDPMGGFVHACBK-MQYQWHSLSA-N 1 0 252.402 2.446 10 0 CEAERO CC1(C)[C@H]([NH2+]CCCc2nccs2)[C@H]2CCO[C@@H]21 ZINC000378451989 375103819 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ZINC000282432282 375482816 /nfs/dbraw/zinc/48/28/16/375482816.db2.gz TZZHUMNVDNGEBJ-RVBZMBCESA-N 1 0 268.307 2.283 10 0 CEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccccc1Cl ZINC000282471615 375492157 /nfs/dbraw/zinc/49/21/57/375492157.db2.gz UTSDMBXTNCMHAU-CABZTGNLSA-N 1 0 252.745 2.097 10 0 CEAERO C[C@H](COc1ccccc1)NC(=O)C[N@@H+]1CCCC[C@H]1C ZINC000255965487 189997712 /nfs/dbraw/zinc/99/77/12/189997712.db2.gz BSXYTWIMVKWVPG-HUUCEWRRSA-N 1 0 290.407 2.445 10 0 CEAERO [NH3+][C@H]1CC[C@H](Nc2ccc(Br)cn2)C1 ZINC000306553987 376549820 /nfs/dbraw/zinc/54/98/20/376549820.db2.gz LEISHEJNLOFPLQ-IUCAKERBSA-N 1 0 256.147 2.136 10 0 CEAERO C[C@H]1[C@H](N2CCCNC2=O)CC[N@@H+]1Cc1ccccc1 ZINC000306716662 376553774 /nfs/dbraw/zinc/55/37/74/376553774.db2.gz BRZFYBHZSWVLAT-DZGCQCFKSA-N 1 0 273.380 2.065 10 0 CEAERO CC(C)([NH3+])[C@H](F)Cc1ncccc1Br ZINC000306715236 376553898 /nfs/dbraw/zinc/55/38/98/376553898.db2.gz YKXXNZFONXJNKO-SECBINFHSA-N 1 0 261.138 2.462 10 0 CEAERO C[C@@H](NC(N)=[NH2+])c1ccc(F)cc1Br ZINC000306967178 376557636 /nfs/dbraw/zinc/55/76/36/376557636.db2.gz MQPNNXJUUDUBSO-RXMQYKEDSA-N 1 0 260.110 2.132 10 0 CEAERO OCC[C@H]1CC[N@H+](Cc2cnc3ccccc3c2)C1 ZINC000311276157 376661738 /nfs/dbraw/zinc/66/17/38/376661738.db2.gz HGUHIGCVOFQFIH-CYBMUJFWSA-N 1 0 256.349 2.439 10 0 CEAERO [NH3+][C@@H]1CC[C@H]2CN(c3nccc4ccccc43)C[C@@H]12 ZINC000311992062 376698385 /nfs/dbraw/zinc/69/83/85/376698385.db2.gz SJFBYECETZLAKX-NWANDNLSSA-N 1 0 253.349 2.408 10 0 CEAERO CCN1CC[C@@H]([NH2+][C@@H](C)c2cc(OC)ccc2OC)C1 ZINC000328448725 376851371 /nfs/dbraw/zinc/85/13/71/376851371.db2.gz COVSKAMFCOESCS-QWHCGFSZSA-N 1 0 278.396 2.449 10 0 CEAERO O=C(CC1CC1)N[C@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000616571656 542163523 /nfs/dbraw/zinc/16/35/23/542163523.db2.gz QOLUEHDVUFRQFE-CABCVRRESA-N 1 0 276.355 2.188 10 0 CEAERO O[C@@H](C[NH2+]CC(C1CC1)C1CC1)COCc1ccco1 ZINC000088458642 249306657 /nfs/dbraw/zinc/30/66/57/249306657.db2.gz AEUUCAGFRTYEHX-AWEZNQCLSA-N 1 0 279.380 2.183 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCc1cccc(C)n1 ZINC000566852787 377776565 /nfs/dbraw/zinc/77/65/65/377776565.db2.gz QBWHXTUSFHGZIM-IAGOWNOFSA-N 1 0 273.424 2.491 10 0 CEAERO C[NH+](C)C[C@@H](N[C@H]1CCn2ccnc21)c1ccccc1 ZINC000293880549 377803240 /nfs/dbraw/zinc/80/32/40/377803240.db2.gz FRQIOWRGSLYILW-LSDHHAIUSA-N 1 0 270.380 2.220 10 0 CEAERO C[C@H]1[C@@H](O)CCC[N@@H+]1CCCOc1ccc(F)cc1 ZINC000295836413 378324807 /nfs/dbraw/zinc/32/48/07/378324807.db2.gz CSTYEQBBMBFYGV-WFASDCNBSA-N 1 0 267.344 2.440 10 0 CEAERO NC(=O)[C@@H]1C[N@H+](C/C=C/c2ccccc2)C[C@H]1C(F)(F)F ZINC000299743837 379125511 /nfs/dbraw/zinc/12/55/11/379125511.db2.gz MOUFWLFWQVWQCP-SXQWRXASSA-N 1 0 298.308 2.295 10 0 CEAERO CC(C)(C)c1nccc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1 ZINC000301526854 379284101 /nfs/dbraw/zinc/28/41/01/379284101.db2.gz NSKVOGJWLHSTHP-CYBMUJFWSA-N 1 0 274.412 2.449 10 0 CEAERO NC(=O)c1c[nH+]ccc1NC[C@H]1C[C@H]1c1ccccc1 ZINC000302228701 379337592 /nfs/dbraw/zinc/33/75/92/379337592.db2.gz QVZPHTSGBJCRMV-OLZOCXBDSA-N 1 0 267.332 2.396 10 0 CEAERO CNc1c(Cl)ncnc1N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000302604775 379405068 /nfs/dbraw/zinc/40/50/68/379405068.db2.gz ZKBIECMTULOLOU-NXEZZACHSA-N 1 0 283.807 2.312 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)N2CCOCC2)C1(CC)CC ZINC000181437678 542273122 /nfs/dbraw/zinc/27/31/22/542273122.db2.gz RBZUZNSXCZGNCR-OWCLPIDISA-N 1 0 298.471 2.281 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)/C=C\c1cccc(O)c1 ZINC000492410231 380543613 /nfs/dbraw/zinc/54/36/13/380543613.db2.gz QTIQZGGXGVRIJL-JVCLFCCPSA-N 1 0 286.375 2.101 10 0 CEAERO COc1ccc(C[N@@H+]2C[C@H](C)C[C@H](O)C2)cc1F ZINC000334746429 207008876 /nfs/dbraw/zinc/00/88/76/207008876.db2.gz PUVZDENKKYVASF-PWSUYJOCSA-N 1 0 253.317 2.037 10 0 CEAERO C[C@H]1C[C@@H](O)C[N@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000334745951 207005535 /nfs/dbraw/zinc/00/55/35/207005535.db2.gz LNWAILVPOJXFSF-XJKSGUPXSA-N 1 0 271.364 2.075 10 0 CEAERO Cc1ncsc1/C=C\C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000492687518 380655146 /nfs/dbraw/zinc/65/51/46/380655146.db2.gz GTRXYSPCBNZBNW-SZZPACECSA-N 1 0 291.420 2.161 10 0 CEAERO COc1ccc([C@H]2[C@H]([NH3+])CCC(=O)N2C(C)C)c(OC)c1 ZINC000070986576 184574331 /nfs/dbraw/zinc/57/43/31/184574331.db2.gz UAZBGGVWIKAMLI-CJNGLKHVSA-N 1 0 292.379 2.103 10 0 CEAERO Cc1ccc(OCC(N)=O)c(-c2cccc3c2CC[NH2+]C3)c1 ZINC000071763333 184575291 /nfs/dbraw/zinc/57/52/91/184575291.db2.gz WCUWMWPBFVDJFO-UHFFFAOYSA-N 1 0 296.370 2.172 10 0 CEAERO C[NH2+]Cc1c(C)nn(C)c1N1CCc2ccccc2CC1 ZINC000079573879 184593591 /nfs/dbraw/zinc/59/35/91/184593591.db2.gz RXWMQEYEZSUTJZ-UHFFFAOYSA-N 1 0 284.407 2.053 10 0 CEAERO [NH3+][C@H](CSc1nc[nH]n1)C12CC3CC(CC(C3)C1)C2 ZINC000081851140 184597359 /nfs/dbraw/zinc/59/73/59/184597359.db2.gz RLXJBJCRKNFVDQ-KIPDHUPVSA-N 1 0 278.425 2.441 10 0 CEAERO C[NH2+][C@@H](C)[C@H](C)Sc1nnc2n1CCCCC2 ZINC000081865785 184598210 /nfs/dbraw/zinc/59/82/10/184598210.db2.gz SRTYOEZXDDEAGC-UWVGGRQHSA-N 1 0 254.403 2.093 10 0 CEAERO Cc1cc(Br)cnc1OC1CC[NH2+]CC1 ZINC000086708853 184609742 /nfs/dbraw/zinc/60/97/42/184609742.db2.gz PYWMGPQXTYKFNM-UHFFFAOYSA-N 1 0 271.158 2.283 10 0 CEAERO Cc1cc(Br)cnc1N[C@@H](C[NH3+])C1CC1 ZINC000086708608 184610069 /nfs/dbraw/zinc/61/00/69/184610069.db2.gz YVJWBWBTECTEQZ-JTQLQIEISA-N 1 0 270.174 2.302 10 0 CEAERO C[NH2+][C@H](CC[C@@H]1CCCO1)c1ccc2c(c1)CC(=O)N2 ZINC000087213309 184613008 /nfs/dbraw/zinc/61/30/08/184613008.db2.gz NTHCENXBZKKODX-UONOGXRCSA-N 1 0 274.364 2.401 10 0 CEAERO CC[NH2+]CCCS(=O)(=O)N(Cc1ccccc1)C(C)C ZINC000088915005 184614164 /nfs/dbraw/zinc/61/41/64/184614164.db2.gz RHPHEKIHLPZARE-UHFFFAOYSA-N 1 0 298.452 2.226 10 0 CEAERO CCN(C[C@@](C)(O)C[NH2+]C(C)C)c1ccc(F)cc1 ZINC000090822218 184618716 /nfs/dbraw/zinc/61/87/16/184618716.db2.gz RDDKOIMHEIKGHP-HNNXBMFYSA-N 1 0 268.376 2.401 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@@H](Sc1nnc(C)o1)C2 ZINC000092860684 184632316 /nfs/dbraw/zinc/63/23/16/184632316.db2.gz HCWBAMDTMJGMTK-RYUDHWBXSA-N 1 0 277.349 2.103 10 0 CEAERO O=C(CCC[NH2+]C[C@@H]1Cc2ccccc2S1)NC1CC1 ZINC000092996380 184641075 /nfs/dbraw/zinc/64/10/75/184641075.db2.gz ICJGELXVTXMQAO-AWEZNQCLSA-N 1 0 290.432 2.352 10 0 CEAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)CCCc1ccccc1 ZINC000092951330 184636960 /nfs/dbraw/zinc/63/69/60/184636960.db2.gz TZJUXTWSLQYSIJ-ZFWWWQNUSA-N 1 0 260.381 2.076 10 0 CEAERO C[C@H](Cc1cccs1)N(C)c1cc(C(N)=[NH2+])ccn1 ZINC000093268435 184659671 /nfs/dbraw/zinc/65/96/71/184659671.db2.gz HHLUXUJHNTVWJG-SNVBAGLBSA-N 1 0 274.393 2.495 10 0 CEAERO C[C@H](Cc1cccs1)N(C)C(=O)[C@H]1CCC[NH2+]C1 ZINC000093272356 184660357 /nfs/dbraw/zinc/66/03/57/184660357.db2.gz BHXHIZCTDBRKSF-NEPJUHHUSA-N 1 0 266.410 2.137 10 0 CEAERO COc1ccc(N[C@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000093209639 184655937 /nfs/dbraw/zinc/65/59/37/184655937.db2.gz IBDMECZVFATNFA-MNOVXSKESA-N 1 0 250.342 2.386 10 0 CEAERO CC[C@@H](C)CN(CC)C(=O)c1cnn(CCC[NH3+])c1C ZINC000093249811 184658127 /nfs/dbraw/zinc/65/81/27/184658127.db2.gz WCXSFQXJRPBFJW-GFCCVEGCSA-N 1 0 280.416 2.049 10 0 CEAERO COC[C@](C)(O)C[NH2+][C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000382559432 542364985 /nfs/dbraw/zinc/36/49/85/542364985.db2.gz KXGURBPAWRXPMU-LXTVHRRPSA-N 1 0 257.418 2.434 10 0 CEAERO O=C1NCCC[C@@H]1C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000335145834 296368030 /nfs/dbraw/zinc/36/80/30/296368030.db2.gz FQUSQRMGPYLGLN-ZBFHGGJFSA-N 1 0 262.397 2.335 10 0 CEAERO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)NS(C)(=O)=O)CC(C)(C)C1 ZINC000104428880 542371584 /nfs/dbraw/zinc/37/15/84/542371584.db2.gz PBEDMJYDBDQWKX-VXGBXAGGSA-N 1 0 290.473 2.119 10 0 CEAERO CC(C)(C)c1ncc(C[NH2+]CC[C@@H]2CCCO2)cn1 ZINC000388613274 542371389 /nfs/dbraw/zinc/37/13/89/542371389.db2.gz HJLNDMXGIAPSJF-ZDUSSCGKSA-N 1 0 263.385 2.433 10 0 CEAERO CCc1nnc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2CC)s1 ZINC000392153278 542375415 /nfs/dbraw/zinc/37/54/15/542375415.db2.gz ZREHTNMDDYJUGH-RYUDHWBXSA-N 1 0 280.441 2.159 10 0 CEAERO O=[S@@](C[C@@H]1CCC[NH2+]1)c1nc2ccccc2nc1Cl ZINC000095069775 285191188 /nfs/dbraw/zinc/19/11/88/285191188.db2.gz LHVWXDWJFLLSTO-ZRNGKTOUSA-N 1 0 295.795 2.143 10 0 CEAERO CCCN1C(=[NH2+])NC[C@]12CCCc1cc(OC)ccc12 ZINC000093373326 184668240 /nfs/dbraw/zinc/66/82/40/184668240.db2.gz LVIZFWYJJUKQRO-INIZCTEOSA-N 1 0 273.380 2.267 10 0 CEAERO C[C@@]1(c2cccc(O)c2)CNC(=[NH2+])N1Cc1cccs1 ZINC000093392573 184670640 /nfs/dbraw/zinc/67/06/40/184670640.db2.gz JFPREPHNWFIGIW-HNNXBMFYSA-N 1 0 287.388 2.499 10 0 CEAERO C[C@@H](C[C@H]1CCC[NH2+]1)Nc1ccc(-n2cc[nH]c2=O)cc1 ZINC000093465225 184678603 /nfs/dbraw/zinc/67/86/03/184678603.db2.gz KTVHYMUQNMZZTE-GXTWGEPZSA-N 1 0 286.379 2.108 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](C)n1nc(C)cc1C ZINC000177022901 285271808 /nfs/dbraw/zinc/27/18/08/285271808.db2.gz RCHHFVNXPFWNOA-CABCVRRESA-N 1 0 292.427 2.004 10 0 CEAERO CC(C)(C)[C@H]([NH3+])CS(=O)(=O)c1cc(F)ccc1F ZINC000081946058 177906876 /nfs/dbraw/zinc/90/68/76/177906876.db2.gz DFLLQNFRSXYDFL-LLVKDONJSA-N 1 0 277.336 2.112 10 0 CEAERO CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1S(=O)(=O)CCC ZINC000081939909 177904265 /nfs/dbraw/zinc/90/42/65/177904265.db2.gz OBFQCXHWTNTITH-AGIUHOORSA-N 1 0 261.431 2.368 10 0 CEAERO CC[C@@H](C)S(=O)(=O)Cc1cc([C@@H](C)[NH3+])ccc1OC ZINC000081936632 177902985 /nfs/dbraw/zinc/90/29/85/177902985.db2.gz XNDCTBLCHHFGSI-GHMZBOCLSA-N 1 0 285.409 2.428 10 0 CEAERO C[NH2+][C@H](CSc1nnc2ccccn21)C(C)(C)C ZINC000081880845 177875691 /nfs/dbraw/zinc/87/56/91/177875691.db2.gz AZDDTNUEYSDJBC-SNVBAGLBSA-N 1 0 264.398 2.456 10 0 CEAERO CCCn1c(S[C@@H]2C[C@@H](C(C)C)CC[C@@H]2[NH3+])n[nH]c1=O ZINC000081879101 177872554 /nfs/dbraw/zinc/87/25/54/177872554.db2.gz OUZUKADPPLGPSZ-SDDRHHMPSA-N 1 0 298.456 2.226 10 0 CEAERO CC[NH2+][C@H]1CCCCC[C@H]1Sc1nnnn1C1CC1 ZINC000081867717 177868021 /nfs/dbraw/zinc/86/80/21/177868021.db2.gz PNWQYGIIBNCZDV-NWDGAFQWSA-N 1 0 281.429 2.411 10 0 CEAERO CC[NH2+][C@H]1c2ccc(OC)cc2CC[C@H]1SCCO ZINC000081796734 177862685 /nfs/dbraw/zinc/86/26/85/177862685.db2.gz PQNIWBUAODLJSA-CABCVRRESA-N 1 0 281.421 2.386 10 0 CEAERO Cc1cc(OC(C)C)ccc1NC(=O)CC1C[NH2+]C1 ZINC000081749365 177853182 /nfs/dbraw/zinc/85/31/82/177853182.db2.gz BKWOABHMFLLGPC-UHFFFAOYSA-N 1 0 262.353 2.330 10 0 CEAERO COCC[C@@H](C)[NH2+][C@H](C)c1ccc(O)c(OC)c1 ZINC000081709186 177842123 /nfs/dbraw/zinc/84/21/23/177842123.db2.gz YPENKZTXIKAGJQ-GHMZBOCLSA-N 1 0 253.342 2.476 10 0 CEAERO CS(=O)(=O)CCC[C@@]1([NH3+])CCC[C@@H](C2CC2)C1 ZINC000081629914 177833204 /nfs/dbraw/zinc/83/32/04/177833204.db2.gz CMTYCQFDEXFNLR-OLZOCXBDSA-N 1 0 259.415 2.109 10 0 CEAERO CCN(Cc1ccccc1)c1cccc(C(N)=[NH2+])n1 ZINC000081620421 177832598 /nfs/dbraw/zinc/83/25/98/177832598.db2.gz BLHAIUYJWMILBS-UHFFFAOYSA-N 1 0 254.337 2.392 10 0 CEAERO O[C@@H]1CCCC[C@H]1[N@@H+]1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000299744671 285314144 /nfs/dbraw/zinc/31/41/44/285314144.db2.gz UCNMLDLPQJEYAF-KBRIMQKVSA-N 1 0 289.423 2.312 10 0 CEAERO C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000081001105 177753152 /nfs/dbraw/zinc/75/31/52/177753152.db2.gz HWSRNUZSTYFSKD-ZFWWWQNUSA-N 1 0 260.381 2.266 10 0 CEAERO C[C@@H]1CCC[C@@]([NH3+])(C(=O)N(C)Cc2ccoc2)C1 ZINC000080928419 177731235 /nfs/dbraw/zinc/73/12/35/177731235.db2.gz GLMJFHLKTWFKAH-RISCZKNCSA-N 1 0 250.342 2.146 10 0 CEAERO CCCS(=O)(=O)c1ccc(N[C@@](C)(CC)C[NH3+])cc1 ZINC000080885403 177723062 /nfs/dbraw/zinc/72/30/62/177723062.db2.gz NMWHICFYHOXDHV-AWEZNQCLSA-N 1 0 284.425 2.410 10 0 CEAERO Cn1cc(SC[C@@H](C(N)=[NH2+])c2ccccc2)cn1 ZINC000080795254 177707851 /nfs/dbraw/zinc/70/78/51/177707851.db2.gz OXQLGLCGEHFEHU-GFCCVEGCSA-N 1 0 260.366 2.232 10 0 CEAERO C[C@H]([NH2+]CCCc1nnc[nH]1)c1ccc(F)c(F)c1 ZINC000080566715 177670462 /nfs/dbraw/zinc/67/04/62/177670462.db2.gz HUOPTQCOPZEJGS-VIFPVBQESA-N 1 0 266.295 2.366 10 0 CEAERO CC[C@H]1CC[C@@](NCC[NH+](CC)CC)(C(=O)OC)C1 ZINC000080467921 177656423 /nfs/dbraw/zinc/65/64/23/177656423.db2.gz IOBUDTIESHEDBP-ZFWWWQNUSA-N 1 0 270.417 2.040 10 0 CEAERO CC[C@]1(C(=O)Nc2ccc(O)cc2C)CCC[NH2+]C1 ZINC000080358517 177644437 /nfs/dbraw/zinc/64/44/37/177644437.db2.gz ANCPWXDTEMMORV-HNNXBMFYSA-N 1 0 262.353 2.419 10 0 CEAERO COC(=O)Cn1ccc2c1cccc2C[NH2+]C(C)C ZINC000080336768 177643709 /nfs/dbraw/zinc/64/37/09/177643709.db2.gz SICFSTQFRJTKNW-UHFFFAOYSA-N 1 0 260.337 2.312 10 0 CEAERO C[NH2+]Cc1cccc2c1ccn2Cc1noc(C)n1 ZINC000080335909 177643729 /nfs/dbraw/zinc/64/37/29/177643729.db2.gz BWPPABWSRIULNH-UHFFFAOYSA-N 1 0 256.309 2.100 10 0 CEAERO Cc1ccc(C[C@H](C)[NH2+]CCC(=O)NC(C)C)s1 ZINC000080245855 177631113 /nfs/dbraw/zinc/63/11/13/177631113.db2.gz UHSKGHHJTPXNPV-NSHDSACASA-N 1 0 268.426 2.492 10 0 CEAERO CCC[NH2+][C@H]1CCC[C@H]1CCn1cnc(C)cc1=O ZINC000093556982 184690991 /nfs/dbraw/zinc/69/09/91/184690991.db2.gz KEQSDJLFCOKPON-KBPBESRZSA-N 1 0 263.385 2.110 10 0 CEAERO Cc1cnn(CC[C@H]2CCC[C@]2(CO)[NH2+]C(C)C)c1 ZINC000093618800 184696821 /nfs/dbraw/zinc/69/68/21/184696821.db2.gz OAWGGSUZAHJAEP-HUUCEWRRSA-N 1 0 265.401 2.111 10 0 CEAERO CC[NH2+][C@@]1(C(N)=O)CCC[C@H]1CCOC(C)(C)CC ZINC000093619271 184696828 /nfs/dbraw/zinc/69/68/28/184696828.db2.gz HYXYAGPAGJJREC-WFASDCNBSA-N 1 0 270.417 2.215 10 0 CEAERO Cc1ccccc1CS(=O)(=O)CC[C@@H]1CCC[C@@H]1[NH3+] ZINC000093623887 184697612 /nfs/dbraw/zinc/69/76/12/184697612.db2.gz WJUVJDSTIVEDHF-ZFWWWQNUSA-N 1 0 281.421 2.427 10 0 CEAERO CCc1ccc(OCC[C@@H]2CCC[C@]2([NH3+])C(N)=O)cc1 ZINC000093624515 184697671 /nfs/dbraw/zinc/69/76/71/184697671.db2.gz GUXQHTYSILEGHD-XJKSGUPXSA-N 1 0 276.380 2.001 10 0 CEAERO C[NH2+][C@@]1(CO)CCC[C@@H]1CCSC1CCOCC1 ZINC000093622376 184697919 /nfs/dbraw/zinc/69/79/19/184697919.db2.gz YUYZZUPFIAOGRU-TZMCWYRMSA-N 1 0 273.442 2.039 10 0 CEAERO C[NH2+][C@]1(C(N)=O)CCC[C@H]1CCSc1nc(C)cs1 ZINC000093629452 184698664 /nfs/dbraw/zinc/69/86/64/184698664.db2.gz JTGNIXOTQXEAAV-GXFFZTMASA-N 1 0 299.465 2.177 10 0 CEAERO Cc1c([C@@H](C[NH3+])N(C)c2cc(C)cc(C)c2)cnn1C ZINC000093650724 184702730 /nfs/dbraw/zinc/70/27/30/184702730.db2.gz UCTULUPPDLCZCO-MRXNPFEDSA-N 1 0 272.396 2.482 10 0 CEAERO CCN[C@]1(C(=O)OC)CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000093748936 184712684 /nfs/dbraw/zinc/71/26/84/184712684.db2.gz GURVWVDJKAZMDT-GDBMZVCRSA-N 1 0 282.428 2.326 10 0 CEAERO CCOC(=O)[C@]1(NC)CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000093748910 184712863 /nfs/dbraw/zinc/71/28/63/184712863.db2.gz QXKBFNBQRDXZII-HOCLYGCPSA-N 1 0 282.428 2.326 10 0 CEAERO CCOC(=O)[C@]1(NC2CC2)CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000093749056 184713404 /nfs/dbraw/zinc/71/34/04/184713404.db2.gz FFISHKCPGXXRDY-WBVHZDCISA-N 1 0 294.439 2.469 10 0 CEAERO Cc1cnc(S[C@H]2CCC[C@](CO)([NH2+]C3CC3)C2)nc1 ZINC000093787040 184721876 /nfs/dbraw/zinc/72/18/76/184721876.db2.gz IYFFTDGWOOXTIB-ZFWWWQNUSA-N 1 0 293.436 2.303 10 0 CEAERO C[NH2+][C@@]1(CO)CCC[C@H](Oc2ccc(F)cc2F)C1 ZINC000093785214 184721954 /nfs/dbraw/zinc/72/19/54/184721954.db2.gz CVRHPSHAVDEIOA-FZMZJTMJSA-N 1 0 271.307 2.237 10 0 CEAERO [NH3+][C@@]1(CO)CCC[C@@H](Oc2ccc3c(c2)CCC3)C1 ZINC000093785159 184722058 /nfs/dbraw/zinc/72/20/58/184722058.db2.gz QZTZSEANNDJDCA-CVEARBPZSA-N 1 0 261.365 2.187 10 0 CEAERO CCOc1ccc(O[C@H]2CCC[C@](CO)([NH2+]C)C2)cc1 ZINC000093785236 184722081 /nfs/dbraw/zinc/72/20/81/184722081.db2.gz YJMRVDRIGHDPJU-HOTGVXAUSA-N 1 0 279.380 2.357 10 0 CEAERO CCC[NH2+][C@]1(CO)CCC[C@H](Sc2nncs2)C1 ZINC000093786733 184722255 /nfs/dbraw/zinc/72/22/55/184722255.db2.gz QAOFJJVGMBDCRC-CMPLNLGQSA-N 1 0 287.454 2.304 10 0 CEAERO CCC[NH2+][C@@H]1CC[C@@H](n2nc(CC)nc2CC)C1 ZINC000093798379 184723086 /nfs/dbraw/zinc/72/30/86/184723086.db2.gz DYRPPVSUOASNAC-VXGBXAGGSA-N 1 0 250.390 2.496 10 0 CEAERO CC[NH2+][C@@H](CSC[C@H](O)CO)c1c(C)cc(C)cc1C ZINC000093961070 184746289 /nfs/dbraw/zinc/74/62/89/184746289.db2.gz VQELHIZMRXMRMY-CABCVRRESA-N 1 0 297.464 2.349 10 0 CEAERO C[NH2+][C@@H](CSC[C@@H](O)CO)c1cccc2ccccc21 ZINC000093961149 184746397 /nfs/dbraw/zinc/74/63/97/184746397.db2.gz XSNLOZRZWPVVEW-BBRMVZONSA-N 1 0 291.416 2.187 10 0 CEAERO CN(CC1CC[NH2+]CC1)C(=O)C1C(C)(C)C1(C)C ZINC000094021931 184750582 /nfs/dbraw/zinc/75/05/82/184750582.db2.gz QHNCAJJKVUHZQQ-UHFFFAOYSA-N 1 0 252.402 2.127 10 0 CEAERO C[C@H]([NH3+])c1nc(-c2nc(-c3ccc(F)cn3)no2)cs1 ZINC000094043965 184751921 /nfs/dbraw/zinc/75/19/21/184751921.db2.gz SCZAEUQUIMSQSJ-LURJTMIESA-N 1 0 291.311 2.414 10 0 CEAERO CCCN(c1ncc(Cl)cc1F)[C@@H]1CC[NH2+]C1 ZINC000094052544 184753158 /nfs/dbraw/zinc/75/31/58/184753158.db2.gz WOBRTLGYWWIKFP-SNVBAGLBSA-N 1 0 257.740 2.452 10 0 CEAERO CC[C@@H](C)NC(=O)CC[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000094087920 184754908 /nfs/dbraw/zinc/75/49/08/184754908.db2.gz JPICPHRZLVFNHE-IAQYHMDHSA-N 1 0 275.396 2.151 10 0 CEAERO Nc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CCC[C@@H]1CO ZINC000094089572 184754913 /nfs/dbraw/zinc/75/49/13/184754913.db2.gz YBSPXXCAJKNXPS-IOASZLSFSA-N 1 0 260.381 2.254 10 0 CEAERO CCn1ccnc1C[C@H]([NH3+])Cc1ccc(OC)c(OC)c1 ZINC000094145436 184756905 /nfs/dbraw/zinc/75/69/05/184756905.db2.gz VLZYLXBWZNWBFK-CYBMUJFWSA-N 1 0 289.379 2.033 10 0 CEAERO CCC[NH2+][C@H](COCC)Cc1nccn1CCC ZINC000094162353 184757588 /nfs/dbraw/zinc/75/75/88/184757588.db2.gz IZYQLSOVRXBJIY-ZDUSSCGKSA-N 1 0 253.390 2.240 10 0 CEAERO Cc1ccccc1CC[NH2+]C[C@@H](O)COC(C)(C)C ZINC000094183414 184760094 /nfs/dbraw/zinc/76/00/94/184760094.db2.gz TTXQTSGSKYTFHT-OAHLLOKOSA-N 1 0 265.397 2.303 10 0 CEAERO CCC[NH2+]Cc1ccc(OCCCOCC)cn1 ZINC000094210149 184762765 /nfs/dbraw/zinc/76/27/65/184762765.db2.gz ROGOPCDPTRRCEM-UHFFFAOYSA-N 1 0 252.358 2.387 10 0 CEAERO C[NH2+]C[C@@H]1CCCCN1C(=O)c1cscc1C ZINC000094248305 184769872 /nfs/dbraw/zinc/76/98/72/184769872.db2.gz WPTCRGOHYJBYNZ-NSHDSACASA-N 1 0 252.383 2.271 10 0 CEAERO COC1CC[NH+](C[C@@H]2CCCC(C)(C)[C@@H]2O)CC1 ZINC000094289220 184776201 /nfs/dbraw/zinc/77/62/01/184776201.db2.gz JWTGUSXDLNTJQJ-GXTWGEPZSA-N 1 0 255.402 2.284 10 0 CEAERO CCNc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cn1 ZINC000094465186 184805059 /nfs/dbraw/zinc/80/50/59/184805059.db2.gz QRUZKXGZPGMJHN-ZFWWWQNUSA-N 1 0 274.412 2.182 10 0 CEAERO C[C@@H]1CCC[NH2+][C@H]1C(=O)N[C@@H]1CCCCC1(C)C ZINC000094330077 184781371 /nfs/dbraw/zinc/78/13/71/184781371.db2.gz RPFYXAWNMZXVCF-JHJVBQTASA-N 1 0 252.402 2.460 10 0 CEAERO CCn1cc(COc2c(F)cc(CC[NH3+])cc2F)cn1 ZINC000094349670 184786731 /nfs/dbraw/zinc/78/67/31/184786731.db2.gz DOBHQEJGOQYJQL-UHFFFAOYSA-N 1 0 281.306 2.261 10 0 CEAERO CC[C@H]([NH3+])Cc1cc(F)c(O[C@@H](C)C(=O)OC)c(F)c1 ZINC000094350512 184786957 /nfs/dbraw/zinc/78/69/57/184786957.db2.gz VTRNGJLMVHUFHX-WPRPVWTQSA-N 1 0 287.306 2.185 10 0 CEAERO [NH3+]CC1(O[C@H]2CCOC3(CCOCC3)C2)CCCCC1 ZINC000094361897 184788976 /nfs/dbraw/zinc/78/89/76/184788976.db2.gz LAEIFYKINQSRNR-AWEZNQCLSA-N 1 0 283.412 2.393 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1CO[C@@H]1CCOC2(CCOCC2)C1 ZINC000094381257 184791803 /nfs/dbraw/zinc/79/18/03/184791803.db2.gz MIIIIXCNQJJNRE-ARFHVFGLSA-N 1 0 297.439 2.496 10 0 CEAERO C[NH2+][C@@H]([C@@H]1C[C@@H]1C)[C@@H]1CCOC2(CCOCC2)C1 ZINC000094406146 184793834 /nfs/dbraw/zinc/79/38/34/184793834.db2.gz BHRGTNVWTBBTGR-REWJHTLYSA-N 1 0 253.386 2.206 10 0 CEAERO CC[C@H]([NH2+]C)c1cnn([C@@H]2CCOC3(CCOCC3)C2)c1 ZINC000094412694 184794376 /nfs/dbraw/zinc/79/43/76/184794376.db2.gz STZGZDKSFGPQFO-CABCVRRESA-N 1 0 293.411 2.454 10 0 CEAERO CC[C@@H]([NH3+])c1cnn([C@H]2CCOC3(CCOCC3)C2)c1 ZINC000094412411 184794476 /nfs/dbraw/zinc/79/44/76/184794476.db2.gz QJLHOIIHCBRNIL-UONOGXRCSA-N 1 0 279.384 2.194 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1[C@@H]1CCOC2(CCOCC2)C1 ZINC000094411791 184794540 /nfs/dbraw/zinc/79/45/40/184794540.db2.gz QEMNSSJKXPIJKZ-HZSPNIEDSA-N 1 0 253.386 2.480 10 0 CEAERO c1cn([C@@H]2CCO[C@@]3(CCSC3)C2)nc1C[NH2+]C1CC1 ZINC000094414768 184795248 /nfs/dbraw/zinc/79/52/48/184795248.db2.gz VHOOMOKNIIERPX-CABCVRRESA-N 1 0 293.436 2.362 10 0 CEAERO COC(=O)C[C@@](C)(c1cc(F)c(C)cc1F)[C@@H](C)[NH3+] ZINC000094742491 184851097 /nfs/dbraw/zinc/85/10/97/184851097.db2.gz VAVWXISANRUDFN-YMTOWFKASA-N 1 0 271.307 2.441 10 0 CEAERO CC(C)(C)[NH2+]Cc1ccc(CO[C@@H]2CCOC2)nc1 ZINC000094761626 184855506 /nfs/dbraw/zinc/85/55/06/184855506.db2.gz OSDMJPSPAHJXRD-CQSZACIVSA-N 1 0 264.369 2.275 10 0 CEAERO CCn1ncnc1C[C@](C)([NH3+])c1ccc(C)c(F)c1 ZINC000094834188 184878112 /nfs/dbraw/zinc/87/81/12/184878112.db2.gz LBYROSJPMLDZGX-AWEZNQCLSA-N 1 0 262.332 2.162 10 0 CEAERO C[C@@H]1C[C@@]2(CNC(=[NH2+])N2c2ccc(F)cc2)CS1 ZINC000094475213 184808113 /nfs/dbraw/zinc/80/81/13/184808113.db2.gz HAZGHBJBULBFLA-NOZJJQNGSA-N 1 0 265.357 2.225 10 0 CEAERO CC[C@H]([NH3+])Cc1cnc([C@@H]2CSCCS2)nc1 ZINC000094500140 184810709 /nfs/dbraw/zinc/81/07/09/184810709.db2.gz CKDQIYDWUHQYEU-QWRGUYRKSA-N 1 0 269.439 2.278 10 0 CEAERO [NH3+]CC1CCC(c2nc([C@H]3CSCCO3)no2)CC1 ZINC000094501777 184811213 /nfs/dbraw/zinc/81/12/13/184811213.db2.gz GPPRBBQMHRNTCY-VQXHTEKXSA-N 1 0 283.397 2.107 10 0 CEAERO C[NH2+][C@H](Cc1ccccc1F)[C@@H]1CSCCO1 ZINC000094503219 184811326 /nfs/dbraw/zinc/81/13/26/184811326.db2.gz NCWIZGXCVJBRHB-OLZOCXBDSA-N 1 0 255.358 2.088 10 0 CEAERO C[NH2+][C@H](Cc1cccc(F)c1F)[C@@H]1CSCCO1 ZINC000094503155 184811422 /nfs/dbraw/zinc/81/14/22/184811422.db2.gz ZEFBYPICACMWSV-NEPJUHHUSA-N 1 0 273.348 2.227 10 0 CEAERO CC(C)CN(C(=O)[C@@H]1C=C[C@H]([NH3+])C1)C1CCCC1 ZINC000094847349 184879924 /nfs/dbraw/zinc/87/99/24/184879924.db2.gz HAWLNJYYCWMIMR-OLZOCXBDSA-N 1 0 250.386 2.317 10 0 CEAERO [NH2+]=C1NC[C@H](c2cccc(C3CC3)c2)N1C[C@@H]1CCCO1 ZINC000094526397 184813483 /nfs/dbraw/zinc/81/34/83/184813483.db2.gz IAKQRZMCTDEDOJ-JKSUJKDBSA-N 1 0 285.391 2.414 10 0 CEAERO CSc1ccccc1NC(=O)CN1C[C@H](C)C[C@@H]([NH3+])C1 ZINC000094551877 184817056 /nfs/dbraw/zinc/81/70/56/184817056.db2.gz QIWDCLGRDLJGGG-VXGBXAGGSA-N 1 0 293.436 2.016 10 0 CEAERO CCc1ccc(-c2noc([C@H]3CC[C@H](C[NH3+])O3)n2)cc1 ZINC000094560852 184818537 /nfs/dbraw/zinc/81/85/37/184818537.db2.gz IOVRSPJPDGMNIU-CHWSQXEVSA-N 1 0 273.336 2.478 10 0 CEAERO Cc1ccc(F)cc1-c1noc([C@H]2CC[C@@H](C[NH3+])O2)n1 ZINC000094560974 184818842 /nfs/dbraw/zinc/81/88/42/184818842.db2.gz AAJBXBIZROQHCH-CMPLNLGQSA-N 1 0 277.299 2.363 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1ccc(Cl)cc1 ZINC000094570394 184820027 /nfs/dbraw/zinc/82/00/27/184820027.db2.gz MIZBTQVGVBLEBM-WQAKAFBOSA-N 1 0 282.771 2.024 10 0 CEAERO COc1cccc([C@H]([NH3+])[C@H]2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC000094641437 184832085 /nfs/dbraw/zinc/83/20/85/184832085.db2.gz BUSITZQKAVLEAJ-QEJZJMRPSA-N 1 0 297.420 2.298 10 0 CEAERO COCC[NH2+]C[C@@H](C)Cc1cc(OC)cc(OC)c1 ZINC000094652122 184834634 /nfs/dbraw/zinc/83/46/34/184834634.db2.gz BTXXIBJTNKLBRQ-LBPRGKRZSA-N 1 0 267.369 2.118 10 0 CEAERO COc1cc(OC)cc([C@@H](O)C(C)(C)[NH+](C)C)c1 ZINC000094650754 184834808 /nfs/dbraw/zinc/83/48/08/184834808.db2.gz XGEJFHRAHBHMRB-CYBMUJFWSA-N 1 0 253.342 2.077 10 0 CEAERO COc1ccc(OCCO[C@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000094673495 184838486 /nfs/dbraw/zinc/83/84/86/184838486.db2.gz GQGIAUXTDDRASG-DOMZBBRYSA-N 1 0 265.353 2.231 10 0 CEAERO CC(C)C[C@H](C[NH3+])C(=O)N1CCC[C@H]1c1ccncc1 ZINC000094697244 184841735 /nfs/dbraw/zinc/84/17/35/184841735.db2.gz CDGSLVSZKVIJFO-CABCVRRESA-N 1 0 275.396 2.366 10 0 CEAERO COc1ccccc1N(C)C(=O)[C@@H](C[NH3+])CC(C)C ZINC000094699935 184842742 /nfs/dbraw/zinc/84/27/42/184842742.db2.gz AAOZZPPYMIFBDE-GFCCVEGCSA-N 1 0 264.369 2.279 10 0 CEAERO Cc1cc(F)c([C@@H]([NH3+])C[C@@H](C)CC(N)=O)cc1F ZINC000094708331 184844865 /nfs/dbraw/zinc/84/48/65/184844865.db2.gz RGPUZXKYIVNIQF-KRTXAFLBSA-N 1 0 256.296 2.175 10 0 CEAERO C[C@@]1(c2ccccc2)C[NH2+]CCN1Cc1nccs1 ZINC000094979293 184910189 /nfs/dbraw/zinc/91/01/89/184910189.db2.gz UKXCCKVQMOBBIP-HNNXBMFYSA-N 1 0 273.405 2.464 10 0 CEAERO C[C@H]1CN(Cc2nccs2)C2(CCCC2)C[NH2+]1 ZINC000094979399 184910190 /nfs/dbraw/zinc/91/01/90/184910190.db2.gz UQGKRLSUKZIAJC-NSHDSACASA-N 1 0 251.399 2.250 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@H](C)CN1Cc1nc(C)cs1 ZINC000094979377 184910218 /nfs/dbraw/zinc/91/02/18/184910218.db2.gz LUSLNGUQIKXIKU-MFKMUULPSA-N 1 0 253.415 2.414 10 0 CEAERO Cc1csc(C[C@]2(C[NH3+])CCC(C)(C)[C@@H]2O)n1 ZINC000094981945 184910375 /nfs/dbraw/zinc/91/03/75/184910375.db2.gz UIRMRMTYJUUGRL-AAEUAGOBSA-N 1 0 254.399 2.120 10 0 CEAERO CC[C@H]([NH3+])Cc1cccn1Cc1cccnc1OC ZINC000095010702 184915212 /nfs/dbraw/zinc/91/52/12/184915212.db2.gz VDKWSGSBTZDWAQ-ZDUSSCGKSA-N 1 0 259.353 2.220 10 0 CEAERO CN(CC[C@@H]1CCCC[NH2+]1)C(=O)Cc1ccc(F)c(F)c1 ZINC000095048483 184923883 /nfs/dbraw/zinc/92/38/83/184923883.db2.gz QQAOPKLHJSTBGF-ZDUSSCGKSA-N 1 0 296.361 2.498 10 0 CEAERO C[C@@H]1CCC[C@H](CNC(=O)Cc2c(F)cccc2F)[NH2+]1 ZINC000095048535 184924206 /nfs/dbraw/zinc/92/42/06/184924206.db2.gz AUCGUQQNCHRBAH-GHMZBOCLSA-N 1 0 282.334 2.154 10 0 CEAERO CN(C(=O)Cc1c(F)cccc1F)[C@H]1CCC[C@H]1C[NH3+] ZINC000095046990 184924448 /nfs/dbraw/zinc/92/44/48/184924448.db2.gz RLOINAUZNZYZMK-HZMBPMFUSA-N 1 0 282.334 2.093 10 0 CEAERO CC(C)c1nc(C(=O)Nc2ccc(C[NH+](C)C)cc2)n[nH]1 ZINC000095059520 184927421 /nfs/dbraw/zinc/92/74/21/184927421.db2.gz CACRDPPFBYQVGP-UHFFFAOYSA-N 1 0 287.367 2.242 10 0 CEAERO Clc1ccc(COCC[C@@H]2CCCC[NH2+]2)nn1 ZINC000095070501 184931781 /nfs/dbraw/zinc/93/17/81/184931781.db2.gz IMBZTSIGFZYTSB-JTQLQIEISA-N 1 0 255.749 2.179 10 0 CEAERO CN(Cc1ccc(Br)nc1)[C@@H]1CCC[NH2+]C1 ZINC000095070718 184931980 /nfs/dbraw/zinc/93/19/80/184931980.db2.gz NKLRNCFOUIFDSB-LLVKDONJSA-N 1 0 284.201 2.028 10 0 CEAERO COc1nc2ccccc2nc1OCC[C@@H]1CCC[NH2+]C1 ZINC000095071724 184933341 /nfs/dbraw/zinc/93/33/41/184933341.db2.gz IFASXBPTXOBMCC-LBPRGKRZSA-N 1 0 287.363 2.407 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N(C)C1CCC(C)(C)CC1 ZINC000094858758 184883678 /nfs/dbraw/zinc/88/36/78/184883678.db2.gz LWIAOFSXXKIOOW-YPMHNXCESA-N 1 0 252.402 2.269 10 0 CEAERO CC[C@H]([NH3+])[C@H](N(C)Cc1cccc(C)n1)C(F)(F)F ZINC000094911250 184890890 /nfs/dbraw/zinc/89/08/90/184890890.db2.gz XQBYPCHWWJGESU-RYUDHWBXSA-N 1 0 275.318 2.490 10 0 CEAERO CCN(Cc1ccccn1)C(=O)C1(C[NH3+])CCCCC1 ZINC000094912537 184892095 /nfs/dbraw/zinc/89/20/95/184892095.db2.gz GGDHVNKNKOKWHT-UHFFFAOYSA-N 1 0 275.396 2.339 10 0 CEAERO Cc1ccc(C(=O)NC[C@H](C)C[NH+]2CCCC2)c(N)c1 ZINC000094928927 184895774 /nfs/dbraw/zinc/89/57/74/184895774.db2.gz GRFQYXHAFFXZGP-ZDUSSCGKSA-N 1 0 275.396 2.039 10 0 CEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000282410475 195601772 /nfs/dbraw/zinc/60/17/72/195601772.db2.gz QEOJNXYIGATAIR-UFBFGSQYSA-N 1 0 270.735 2.236 10 0 CEAERO O[C@]12CCCC[C@@H]1C[N@H+](C[C@H]1CCC=CO1)CC2 ZINC000248881244 285379029 /nfs/dbraw/zinc/37/90/29/285379029.db2.gz KUGJRTDEBIYEDI-KFWWJZLASA-N 1 0 251.370 2.306 10 0 CEAERO C[C@@H]1CCC[C@](CNC(=O)[C@@H]2CCCO[C@@H]2C)([NH+](C)C)C1 ZINC000189898065 296493315 /nfs/dbraw/zinc/49/33/15/296493315.db2.gz JTJZBKNIRJZMOG-ANQUJSFKSA-N 1 0 296.455 2.428 10 0 CEAERO CC[NH2+][C@@H]1CCN(C(=O)c2ccnn2C)c2ccccc21 ZINC000071324472 134963108 /nfs/dbraw/zinc/96/31/08/134963108.db2.gz IVXKDEGMUPEFSQ-CYBMUJFWSA-N 1 0 284.363 2.121 10 0 CEAERO COc1ccc(OC)c(N2CC[NH2+]C3(CCCC3)C2)c1 ZINC000086123160 135038778 /nfs/dbraw/zinc/03/87/78/135038778.db2.gz HXXXTDCJELVXER-UHFFFAOYSA-N 1 0 276.380 2.426 10 0 CEAERO CC[C@@](C[NH3+])(C1CC1)N1CCN(C)c2ccccc21 ZINC000086120822 135038796 /nfs/dbraw/zinc/03/87/96/135038796.db2.gz ANAVAQIKUPKAIV-MRXNPFEDSA-N 1 0 259.397 2.460 10 0 CEAERO c1cnc2ccc(N3CC[NH2+][C@@H](C4CC4)C3)cc2c1 ZINC000086147733 135039177 /nfs/dbraw/zinc/03/91/77/135039177.db2.gz HURJZADVVXQWLQ-MRXNPFEDSA-N 1 0 253.349 2.423 10 0 CEAERO Cc1cc(Br)cnc1N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000086708600 135048241 /nfs/dbraw/zinc/04/82/41/135048241.db2.gz BJGUPICHAHJAFE-UWVGGRQHSA-N 1 0 284.201 2.339 10 0 CEAERO C[C@@H]1CCC[C@@]1(C[NH3+])N1CCN(C)c2ccccc21 ZINC000086677318 135048613 /nfs/dbraw/zinc/04/86/13/135048613.db2.gz DRCJUQAFBFOBEX-CJNGLKHVSA-N 1 0 259.397 2.460 10 0 CEAERO C[NH2+][C@H]1CCN(CC2(O)CCCC2)c2ccccc21 ZINC000087459263 135050215 /nfs/dbraw/zinc/05/02/15/135050215.db2.gz WCXDMNRFVMFMRT-AWEZNQCLSA-N 1 0 260.381 2.462 10 0 CEAERO Fc1cc(F)c(N2CC[NH2+][C@@H](C3CC3)C2)c(F)c1 ZINC000088724304 135056645 /nfs/dbraw/zinc/05/66/45/135056645.db2.gz YHWSILXWYZTDIJ-GFCCVEGCSA-N 1 0 256.271 2.292 10 0 CEAERO C[C@H]1CC[C@H](C)N(c2ccc(C[NH2+]C3CC3)nn2)C1 ZINC000088710957 135056677 /nfs/dbraw/zinc/05/66/77/135056677.db2.gz IFJZAKXCVQDDEL-RYUDHWBXSA-N 1 0 260.385 2.353 10 0 CEAERO CCc1cc(N2CCCC[C@H]2C[NH2+]C2CC2)nc(C)n1 ZINC000088760880 135056887 /nfs/dbraw/zinc/05/68/87/135056887.db2.gz VTHKLIVZUDVHNR-HNNXBMFYSA-N 1 0 274.412 2.458 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1Nc1ccc(N2CCOCC2)cc1 ZINC000089147837 135057988 /nfs/dbraw/zinc/05/79/88/135057988.db2.gz MCLVHCGBROPPBA-CJNGLKHVSA-N 1 0 275.396 2.063 10 0 CEAERO C[C@@H]([NH3+])CCSCC(=O)N1CCCc2ccccc21 ZINC000090345886 135062865 /nfs/dbraw/zinc/06/28/65/135062865.db2.gz QYNXGATUOICAGZ-GFCCVEGCSA-N 1 0 278.421 2.436 10 0 CEAERO C[C@H](C[NH3+])SCC(=O)N1CCCc2ccccc21 ZINC000090341888 135062963 /nfs/dbraw/zinc/06/29/63/135062963.db2.gz YZHIABJWCWNNNT-LLVKDONJSA-N 1 0 264.394 2.046 10 0 CEAERO CC[NH2+]C[C@@H]1CCCN(c2ncncc2Br)C1 ZINC000090782595 135064608 /nfs/dbraw/zinc/06/46/08/135064608.db2.gz MXYSXFQQTZUIPV-JTQLQIEISA-N 1 0 299.216 2.065 10 0 CEAERO CCCOc1cc(N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)ncn1 ZINC000090785184 135064929 /nfs/dbraw/zinc/06/49/29/135064929.db2.gz WVBTUYKWAOCHOV-KBPBESRZSA-N 1 0 290.411 2.376 10 0 CEAERO CCOc1ncnc(N2CCCC[C@@H]2C[NH2+]C2CC2)c1C ZINC000090789899 135065607 /nfs/dbraw/zinc/06/56/07/135065607.db2.gz NPYJLOZZZCXKSZ-CQSZACIVSA-N 1 0 290.411 2.295 10 0 CEAERO OCc1cc(N2C[C@H]3CC[C@@H](C2)O3)c2ccccc2[nH+]1 ZINC000090906833 135066117 /nfs/dbraw/zinc/06/61/17/135066117.db2.gz GEIOJMFMSKYXAO-BETUJISGSA-N 1 0 270.332 2.095 10 0 CEAERO CC[NH2+]Cc1nc(C(C)C)ncc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090907704 135066522 /nfs/dbraw/zinc/06/65/22/135066522.db2.gz LKVRDGAEPOLZBV-BETUJISGSA-N 1 0 290.411 2.077 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(c2c(N)ccc(F)c2F)C1 ZINC000091395481 135068750 /nfs/dbraw/zinc/06/87/50/135068750.db2.gz UTDNIIOEHHPNGO-SECBINFHSA-N 1 0 255.312 2.077 10 0 CEAERO C[C@H](O)c1c(F)cccc1N1CCC[C@H]([NH+](C)C)C1 ZINC000091393737 135068791 /nfs/dbraw/zinc/06/87/91/135068791.db2.gz VNIOZONFRNCGGP-RYUDHWBXSA-N 1 0 266.360 2.409 10 0 CEAERO C[C@@H]1C[C@@H](C)CN(c2cncc(C[NH2+]C3CC3)n2)C1 ZINC000091418839 135069498 /nfs/dbraw/zinc/06/94/98/135069498.db2.gz ZCQSXLLUEZVXOG-VXGBXAGGSA-N 1 0 260.385 2.211 10 0 CEAERO CCC[NH2+]Cc1cncc(N2C[C@H](C)S[C@@H](C)C2)n1 ZINC000091421888 135069980 /nfs/dbraw/zinc/06/99/80/135069980.db2.gz AQJDMUQIJYBQSK-RYUDHWBXSA-N 1 0 280.441 2.306 10 0 CEAERO CC[NH2+]Cc1cncc(N2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000091422122 135069990 /nfs/dbraw/zinc/06/99/90/135069990.db2.gz DYMFVUXYSAOACA-SNVBAGLBSA-N 1 0 288.317 2.365 10 0 CEAERO Cc1cccc2c1N(C(=O)[C@H]1CC[C@H]([NH3+])C1)CCC2 ZINC000091541550 135071539 /nfs/dbraw/zinc/07/15/39/135071539.db2.gz HFGBBJJFYMSNPR-KBPBESRZSA-N 1 0 258.365 2.402 10 0 CEAERO Cc1cccc2c1N(C(=O)[C@@H]1C=C[C@@H]([NH3+])C1)CCC2 ZINC000092206766 135075905 /nfs/dbraw/zinc/07/59/05/135075905.db2.gz NYLKDJWFFWRJPE-ZIAGYGMSSA-N 1 0 256.349 2.178 10 0 CEAERO CCC[NH2+]C[C@H](C)[C@@H](C)N1CCN(c2ccccn2)CC1 ZINC000093068416 135079099 /nfs/dbraw/zinc/07/90/99/135079099.db2.gz GMYGNXGAXCRMJE-JKSUJKDBSA-N 1 0 290.455 2.228 10 0 CEAERO [NH3+][C@@H]1Cc2ccccc2N([C@@H]2CCOC3(CCC3)C2)C1 ZINC000094384306 135086422 /nfs/dbraw/zinc/08/64/22/135086422.db2.gz BUQGGYPCNUFYBK-HUUCEWRRSA-N 1 0 272.392 2.478 10 0 CEAERO NC(=S)c1ccc(N2CC[N@@H+]3CCCC[C@@H]3C2)c(F)c1 ZINC000094440025 135087698 /nfs/dbraw/zinc/08/76/98/135087698.db2.gz QZDMTGQTHJDEQK-GFCCVEGCSA-N 1 0 293.411 2.134 10 0 CEAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ncc(CO)cc1Cl ZINC000094440245 135088911 /nfs/dbraw/zinc/08/89/11/135088911.db2.gz SQUZQDNCKSBUTO-DGCLKSJQSA-N 1 0 295.814 2.290 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)C1CCC(F)(F)CC1 ZINC000216251944 394451549 /nfs/dbraw/zinc/45/15/49/394451549.db2.gz NQTJVZLTFPNTBR-GHMZBOCLSA-N 1 0 260.328 2.056 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H](C)c1cccnc1 ZINC000245418409 394499073 /nfs/dbraw/zinc/49/90/73/394499073.db2.gz GNAIWFFPFCDOSW-IMJJTQAJSA-N 1 0 287.407 2.270 10 0 CEAERO CC[C@H](CSC)[N@H+](C)C[C@@H](O)COC(C)(C)C ZINC000245581051 394502062 /nfs/dbraw/zinc/50/20/62/394502062.db2.gz HEZOANIWAQPXOZ-VXGBXAGGSA-N 1 0 263.447 2.236 10 0 CEAERO C[C@@H]1CCC[C@@H](NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC000246466512 394516254 /nfs/dbraw/zinc/51/62/54/394516254.db2.gz QFOOXXZKLGWIPR-KFWWJZLASA-N 1 0 279.428 2.445 10 0 CEAERO CCCCCC[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246499075 394516698 /nfs/dbraw/zinc/51/66/98/394516698.db2.gz PUKSWBFTTUOUAF-CABCVRRESA-N 1 0 254.418 2.219 10 0 CEAERO C[C@@H]1CCN(c2cnc3ccccc3n2)C[C@H]1C[NH3+] ZINC000253200615 394576377 /nfs/dbraw/zinc/57/63/77/394576377.db2.gz XGQPVCNZRNCTRB-VXGBXAGGSA-N 1 0 256.353 2.051 10 0 CEAERO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCO[C@H]2C)C1 ZINC000253276754 394576392 /nfs/dbraw/zinc/57/63/92/394576392.db2.gz KFRCTNCJYVTDEW-ZNMIVQPWSA-N 1 0 282.428 2.038 10 0 CEAERO C[C@@H]1C[N@@H+](C[C@H](O)COCc2ccccc2)C[C@H](C)S1 ZINC000070384746 394587105 /nfs/dbraw/zinc/58/71/05/394587105.db2.gz GLDUWTVWYYESIM-LZWOXQAQSA-N 1 0 295.448 2.390 10 0 CEAERO NC1=[NH+]C[C@@H]([C@@H]2CCCSC2)N1Cc1ccccc1 ZINC000306818066 394518609 /nfs/dbraw/zinc/51/86/09/394518609.db2.gz DTVCKTAHEUVEGX-KGLIPLIRSA-N 1 0 275.421 2.329 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCCC[C@@H]2C)C1 ZINC000246835445 394522531 /nfs/dbraw/zinc/52/25/31/394522531.db2.gz DXSWKKUAFRZSJG-RDBSUJKOSA-N 1 0 267.417 2.299 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCS[C@@H](C)[C@H]2C)C1 ZINC000247513891 394531898 /nfs/dbraw/zinc/53/18/98/394531898.db2.gz YOAJVDVMKJYMDH-MQYQWHSLSA-N 1 0 299.484 2.251 10 0 CEAERO CCOC(C[N@H+]1[C@H](C(=O)OC)C[C@@H]2CCCC[C@@H]21)OCC ZINC000248397431 394539637 /nfs/dbraw/zinc/53/96/37/394539637.db2.gz LRHIHHZMSYQROG-IHRRRGAJSA-N 1 0 299.411 2.192 10 0 CEAERO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000324311037 394549873 /nfs/dbraw/zinc/54/98/73/394549873.db2.gz ZGBYCDYKMCCNGZ-NWDGAFQWSA-N 1 0 288.432 2.144 10 0 CEAERO O=C1C[C@@H]([NH2+]C2C3CC4CC(C3)CC2C4)CCCN1 ZINC000328271270 394551670 /nfs/dbraw/zinc/55/16/70/394551670.db2.gz PPJYXYJDAOLFGG-NUAPRZDKSA-N 1 0 262.397 2.069 10 0 CEAERO CCC[C@@H](CC)[NH2+]C[C@H](O)COCc1ccco1 ZINC000050404301 394555141 /nfs/dbraw/zinc/55/51/41/394555141.db2.gz VPIBTDZVKBWETB-OLZOCXBDSA-N 1 0 255.358 2.325 10 0 CEAERO OC1CC(C[NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC000091423686 394657074 /nfs/dbraw/zinc/65/70/74/394657074.db2.gz BRLVNLPLGNDAJK-UHFFFAOYSA-N 1 0 275.270 2.446 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1cnc2ccccc2n1 ZINC000113248392 394748121 /nfs/dbraw/zinc/74/81/21/394748121.db2.gz GDVLYYDIOKWQTB-QWHCGFSZSA-N 1 0 268.364 2.303 10 0 CEAERO Cc1oc2ccccc2c1C[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000281883582 394868130 /nfs/dbraw/zinc/86/81/30/394868130.db2.gz XKZGTGMXIMTZID-QMTHXVAHSA-N 1 0 272.348 2.498 10 0 CEAERO C[NH+](C)C[C@H]1CN([C@@H]2CCCc3ccc(F)cc32)CCO1 ZINC000132683863 394935867 /nfs/dbraw/zinc/93/58/67/394935867.db2.gz FOFWBDAMACBYAP-DOTOQJQBSA-N 1 0 292.398 2.466 10 0 CEAERO CCCC[C@H](C(=O)OC)N1CC[C@H](Oc2cccnc2)C1 ZINC000152224002 394990395 /nfs/dbraw/zinc/99/03/95/394990395.db2.gz OKXATPYRXNAFBR-LSDHHAIUSA-N 1 0 292.379 2.267 10 0 CEAERO Cc1cc(C)c(C(=O)N2CCO[C@H](C[NH+](C)C)C2)c(C)c1 ZINC000153615491 395012243 /nfs/dbraw/zinc/01/22/43/395012243.db2.gz CIDFEOVFLQXYMH-OAHLLOKOSA-N 1 0 290.407 2.014 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)C2CCCC2)C1 ZINC000172224121 395101571 /nfs/dbraw/zinc/10/15/71/395101571.db2.gz DKSGKUZFHIURLZ-JSGCOSHPSA-N 1 0 267.417 2.349 10 0 CEAERO Cc1cc(N2C[C@H](C[NH3+])C[C@@H]2C)ncc1Br ZINC000163966196 395085642 /nfs/dbraw/zinc/08/56/42/395085642.db2.gz NPFHHNKLJGYCNJ-UWVGGRQHSA-N 1 0 284.201 2.326 10 0 CEAERO CC(C)COc1ccc(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000423968973 395038103 /nfs/dbraw/zinc/03/81/03/395038103.db2.gz ZHAZAPPFPMMKNT-WFASDCNBSA-N 1 0 276.380 2.141 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)OC(C)(C)C ZINC000173828761 395116705 /nfs/dbraw/zinc/11/67/05/395116705.db2.gz AYKKOAJUSZVVJM-NWDGAFQWSA-N 1 0 254.374 2.480 10 0 CEAERO Cc1cnc(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)s1 ZINC000177029322 395145147 /nfs/dbraw/zinc/14/51/47/395145147.db2.gz CDTGVDCZMCBCNL-GXSJLCMTSA-N 1 0 282.413 2.302 10 0 CEAERO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)cc1 ZINC000398802924 395237966 /nfs/dbraw/zinc/23/79/66/395237966.db2.gz RVUAIXWSTNTMCY-SOUVJXGZSA-N 1 0 261.365 2.288 10 0 CEAERO O[C@@H]1CC[C@H]2C[N@H+](CCOc3ccccc3F)C[C@H]2C1 ZINC000398929926 395240586 /nfs/dbraw/zinc/24/05/86/395240586.db2.gz OGAKJRHCMRTDSD-BFHYXJOUSA-N 1 0 279.355 2.297 10 0 CEAERO CCN(CC)C(=O)CCC1CC[NH+](CC(C)(C)O)CC1 ZINC000182544555 395243982 /nfs/dbraw/zinc/24/39/82/395243982.db2.gz WLLQLZAHRHXERO-UHFFFAOYSA-N 1 0 284.444 2.118 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(C)Cc1ccsc1 ZINC000384266280 395191926 /nfs/dbraw/zinc/19/19/26/395191926.db2.gz PNQIKZIODBFIEE-CMPLNLGQSA-N 1 0 252.383 2.095 10 0 CEAERO Cc1cc(C)c(O)c(NC(=O)[C@H]2CCC[NH2+][C@H]2C)c1 ZINC000384255788 395192169 /nfs/dbraw/zinc/19/21/69/395192169.db2.gz OGVSTBWQRDSGNH-RYUDHWBXSA-N 1 0 262.353 2.336 10 0 CEAERO Cn1c(C[N@H+](C)C(C2CC2)C2CC2)nnc1C1CC1 ZINC000195122438 395459583 /nfs/dbraw/zinc/45/95/83/395459583.db2.gz KHTZYIKDBULUBX-UHFFFAOYSA-N 1 0 260.385 2.313 10 0 CEAERO CCCCOC[C@@H](O)C[N@H+](C)C(C1CC1)C1CC1 ZINC000195173506 395460663 /nfs/dbraw/zinc/46/06/63/395460663.db2.gz FXWJZGUSLXCZDH-AWEZNQCLSA-N 1 0 255.402 2.284 10 0 CEAERO CCCCOC[C@@H](O)C[N@H+](C)Cc1cc(Cl)cn1C ZINC000195183181 395461588 /nfs/dbraw/zinc/46/15/88/395461588.db2.gz ORJMQQDGNYVZLB-AWEZNQCLSA-N 1 0 288.819 2.288 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)COc2cc(C)ccc2C)C1 ZINC000194631456 395444224 /nfs/dbraw/zinc/44/42/24/395444224.db2.gz DDHXJWUNHKMOMP-HNNXBMFYSA-N 1 0 290.407 2.283 10 0 CEAERO O=C(N[C@@H](C1CCC1)C1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000648200829 395862198 /nfs/dbraw/zinc/86/21/98/395862198.db2.gz SXSRIZUREXTMJQ-LSDHHAIUSA-N 1 0 264.413 2.461 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)C1(c2cccc(Cl)c2)CCC1 ZINC000647031824 396405587 /nfs/dbraw/zinc/40/55/87/396405587.db2.gz CHVPAXNSEZPGHD-NSHDSACASA-N 1 0 280.799 2.486 10 0 CEAERO [NH3+]C1CCC(C(=O)Nc2ccc3c(c2)OCCCO3)CC1 ZINC000037622860 400118084 /nfs/dbraw/zinc/11/80/84/400118084.db2.gz HSPYRVGCMKYIHW-UHFFFAOYSA-N 1 0 290.363 2.304 10 0 CEAERO [NH3+]C1CCC(C(=O)Nc2ccc3nccnc3c2)CC1 ZINC000037765754 400119057 /nfs/dbraw/zinc/11/90/57/400119057.db2.gz YCYMMVDVONPTSH-UHFFFAOYSA-N 1 0 270.336 2.086 10 0 CEAERO CC(=O)Nc1cc(NC(=O)C2CCC([NH3+])CC2)ccc1F ZINC000037764737 400119146 /nfs/dbraw/zinc/11/91/46/400119146.db2.gz DSDSPBOBODUESH-UHFFFAOYSA-N 1 0 293.342 2.240 10 0 CEAERO CCCOc1ccc([C@H](C)[NH2+]CCC(N)=O)cc1 ZINC000036746950 400113703 /nfs/dbraw/zinc/11/37/03/400113703.db2.gz TXWDICOCIJVCRD-NSHDSACASA-N 1 0 250.342 2.001 10 0 CEAERO CC[C@@H]1CN(c2nc(C(F)(F)F)ns2)CC[C@H]1[NH3+] ZINC000300292531 400327109 /nfs/dbraw/zinc/32/71/09/400327109.db2.gz YXXXAOLUKPGERB-RNFRBKRXSA-N 1 0 280.319 2.121 10 0 CEAERO CC(C)(NC(=O)[C@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000388413219 400532368 /nfs/dbraw/zinc/53/23/68/400532368.db2.gz OGMJAFOITVZSPH-JSGCOSHPSA-N 1 0 260.381 2.413 10 0 CEAERO OCC[N@@H+](Cc1ccccc1)C[C@@H]1CCC[C@H](O)C1 ZINC000390806710 400542539 /nfs/dbraw/zinc/54/25/39/400542539.db2.gz KQRLCFCJCLETDM-CVEARBPZSA-N 1 0 263.381 2.032 10 0 CEAERO C[C@H](Cc1ccsc1)NC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000395277035 400555403 /nfs/dbraw/zinc/55/54/03/400555403.db2.gz QZWNRWIEZQVGLN-MDZLAQPJSA-N 1 0 266.410 2.183 10 0 CEAERO c1ccc(CN2C[C@H]3C[C@@H](C2)C3[NH2+]C[C@@H]2CCOC2)cc1 ZINC000399636573 400565092 /nfs/dbraw/zinc/56/50/92/400565092.db2.gz WYPIWFOSRVRTLT-XNHLSEOASA-N 1 0 286.419 2.133 10 0 CEAERO C[NH2+]CC(=O)Nc1ccc(Br)cc1Cl ZINC000037389145 173172078 /nfs/dbraw/zinc/17/20/78/173172078.db2.gz XFOSILWJPVPNNN-UHFFFAOYSA-N 1 0 277.549 2.260 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@@H](C2CC2)C2CCCC2)C1 ZINC000651294946 401309328 /nfs/dbraw/zinc/30/93/28/401309328.db2.gz OWRUAPDRKOSENJ-JKSUJKDBSA-N 1 0 266.429 2.266 10 0 CEAERO CCOCC[N@@H+]1CCN(C(=O)CC(C)(C)C)C[C@H]1CC ZINC000116771515 286084326 /nfs/dbraw/zinc/08/43/26/286084326.db2.gz RENBPLHPUZAHEG-CQSZACIVSA-N 1 0 284.444 2.382 10 0 CEAERO c1csc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)c1 ZINC000261882697 296639167 /nfs/dbraw/zinc/63/91/67/296639167.db2.gz FNLIPDBSCRCKDT-RBSFLKMASA-N 1 0 280.437 2.037 10 0 CEAERO CC(C)[NH+](CCCNC(=O)[C@@H]1CCCO[C@H]1C)C(C)C ZINC000188654497 153066520 /nfs/dbraw/zinc/06/65/20/153066520.db2.gz ALQASUUPPREPCY-LSDHHAIUSA-N 1 0 284.444 2.427 10 0 CEAERO C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2CCCO[C@@H]2C)C1 ZINC000188753952 153069553 /nfs/dbraw/zinc/06/95/53/153069553.db2.gz YDQFCDTXBQKOHN-BZUAXINKSA-N 1 0 296.455 2.430 10 0 CEAERO C[C@H]1OCCC[C@@H]1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000189691483 153105813 /nfs/dbraw/zinc/10/58/13/153105813.db2.gz OTSNBUPHMLOBOT-URGYJCLVSA-N 1 0 282.428 2.038 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NCc2nccn2-c2ccccc2)C1 ZINC000190851441 153148071 /nfs/dbraw/zinc/14/80/71/153148071.db2.gz YYUHKJLCIIRWTC-OAHLLOKOSA-N 1 0 284.407 2.446 10 0 CEAERO CC(C)CCC[C@H](C)NC(=O)C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000193127893 153228339 /nfs/dbraw/zinc/22/83/39/153228339.db2.gz JWLMNVYZNXFRKH-KKUMJFAQSA-N 1 0 284.444 2.475 10 0 CEAERO C=Cn1cc(C[NH+]2CCC(c3cc[nH]n3)CC2)cn1 ZINC000193851841 153242592 /nfs/dbraw/zinc/24/25/92/153242592.db2.gz FLWJHZJTYCYJNS-UHFFFAOYSA-N 1 0 257.341 2.086 10 0 CEAERO CCc1nnc(C[N@H+](C)[C@H]2CCCC[C@@H]2C)n1C ZINC000195060842 153271629 /nfs/dbraw/zinc/27/16/29/153271629.db2.gz KHOPESUINXWXKG-RYUDHWBXSA-N 1 0 250.390 2.388 10 0 CEAERO O=C(CCc1ccsc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195088793 153279136 /nfs/dbraw/zinc/27/91/36/153279136.db2.gz ZREGGXPRDSPIDI-AWEZNQCLSA-N 1 0 278.421 2.377 10 0 CEAERO CSc1ccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000195317279 153280486 /nfs/dbraw/zinc/28/04/86/153280486.db2.gz QTVWZPAZKOKFDF-ZDUSSCGKSA-N 1 0 276.405 2.329 10 0 CEAERO O=C(Cc1ccc2c(c1)CCC2)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195317172 153282100 /nfs/dbraw/zinc/28/21/00/153282100.db2.gz NRJIVPZUWBVWGE-KRWDZBQOSA-N 1 0 284.403 2.024 10 0 CEAERO CSc1ccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000195317269 153283190 /nfs/dbraw/zinc/28/31/90/153283190.db2.gz QTVWZPAZKOKFDF-CYBMUJFWSA-N 1 0 276.405 2.329 10 0 CEAERO CC(C)CCSCC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195337806 153286110 /nfs/dbraw/zinc/28/61/10/153286110.db2.gz ICIWYNUJEAZSCX-CYBMUJFWSA-N 1 0 270.442 2.072 10 0 CEAERO CC(C)NC(=O)CN1CCCC[C@H]1c1nccs1 ZINC000195367665 153289086 /nfs/dbraw/zinc/28/90/86/153289086.db2.gz YKYCXCXWIFAQQZ-NSHDSACASA-N 1 0 267.398 2.195 10 0 CEAERO CC(C)c1nc([C@@H]2CCCN2CCn2cccn2)no1 ZINC000195376145 153289415 /nfs/dbraw/zinc/28/94/15/153289415.db2.gz MANNAKDUMCDYSS-LBPRGKRZSA-N 1 0 275.356 2.227 10 0 CEAERO CSC[C@@](C)(O)C[NH2+][C@H]1CCc2ccccc21 ZINC000223783485 153317961 /nfs/dbraw/zinc/31/79/61/153317961.db2.gz NHMYVMGZGMREBW-KBPBESRZSA-N 1 0 251.395 2.378 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+][C@H]2C[C@@H](O)C2(C)C)c1C ZINC000228855493 153368993 /nfs/dbraw/zinc/36/89/93/153368993.db2.gz QJILSPOMNMVZIF-TVYUQYBPSA-N 1 0 265.401 2.330 10 0 CEAERO CC(C)c1ccc(NC(=O)CN2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000261636012 153795061 /nfs/dbraw/zinc/79/50/61/153795061.db2.gz GPBSQLZDQABQCT-SWLSCSKDSA-N 1 0 275.396 2.028 10 0 CEAERO COc1ccccc1CCN(C)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261656831 153802811 /nfs/dbraw/zinc/80/28/11/153802811.db2.gz DVLTZPYSMAANBN-HUUCEWRRSA-N 1 0 290.407 2.071 10 0 CEAERO CC(=O)Nc1ccc(F)c(NC(=O)C[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000261661553 153803244 /nfs/dbraw/zinc/80/32/44/153803244.db2.gz FFMWPFDEAULLCZ-GXFFZTMASA-N 1 0 293.342 2.240 10 0 CEAERO CC(C)(C)c1ccnc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000261818570 153848494 /nfs/dbraw/zinc/84/84/94/153848494.db2.gz TUOQSOSDEHONKL-YNEHKIRRSA-N 1 0 274.412 2.338 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)c1cc(Cl)ccc1OC(F)F ZINC000261868586 153862981 /nfs/dbraw/zinc/86/29/81/153862981.db2.gz ZJPSGCAMXAYQQV-ZETCQYMHSA-N 1 0 292.713 2.279 10 0 CEAERO [NH3+][C@H]1CC[C@H](c2nc(-c3ccc4c(c3)CCO4)no2)C1 ZINC000261949825 153882954 /nfs/dbraw/zinc/88/29/54/153882954.db2.gz FTOAMGISJVUSHD-RYUDHWBXSA-N 1 0 271.320 2.266 10 0 CEAERO Cc1ccc(C)c([C@@H](C)N(C)C(=O)[C@@H]2CC[C@H](C[NH3+])O2)c1 ZINC000262013637 153893939 /nfs/dbraw/zinc/89/39/39/153893939.db2.gz OHNNEMYNEQADRL-FMKPAKJESA-N 1 0 290.407 2.329 10 0 CEAERO FC(F)(F)c1ncc(CN2CC[C@]3(CC[NH2+]C3)C2)s1 ZINC000262151783 153918585 /nfs/dbraw/zinc/91/85/85/153918585.db2.gz ZZZRFLHYEXBUDW-NSHDSACASA-N 1 0 291.342 2.347 10 0 CEAERO O=C(N[C@@H](c1ccc(F)cc1)C1CCC1)C1C[NH2+]C1 ZINC000262230191 153927396 /nfs/dbraw/zinc/92/73/96/153927396.db2.gz MBXPYVZZKQHQMB-CQSZACIVSA-N 1 0 262.328 2.003 10 0 CEAERO CC(C)[C@@H]1OCC[C@H]1CNC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000262624779 153968997 /nfs/dbraw/zinc/96/89/97/153968997.db2.gz KMHKRXCTLWYSLE-QRTARXTBSA-N 1 0 296.455 2.190 10 0 CEAERO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)CC[NH2+]1 ZINC000262972148 154003707 /nfs/dbraw/zinc/00/37/07/154003707.db2.gz XSJOCLSIBWJOAC-OJAKKHQRSA-N 1 0 294.345 2.325 10 0 CEAERO CSc1ccccc1-c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263299934 154052162 /nfs/dbraw/zinc/05/21/62/154052162.db2.gz WYANJQFTFNMXLZ-LLVKDONJSA-N 1 0 290.392 2.035 10 0 CEAERO CCCc1nnc(NC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])s1 ZINC000263293496 154052767 /nfs/dbraw/zinc/05/27/67/154052767.db2.gz VZIMVRUOYLGEBV-NOZJJQNGSA-N 1 0 282.413 2.337 10 0 CEAERO O=C(CCC1CC[NH2+]CC1)Nc1ccnc2ccncc21 ZINC000263319105 154055932 /nfs/dbraw/zinc/05/59/32/154055932.db2.gz ZXTNWEWURGWDAU-UHFFFAOYSA-N 1 0 284.363 2.348 10 0 CEAERO C[C@@H]1CCC[C@@H]1[NH2+]C1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263461926 154095821 /nfs/dbraw/zinc/09/58/21/154095821.db2.gz BXJCGZKGZKCPHX-WPPJOMGTSA-N 1 0 280.412 2.092 10 0 CEAERO C[N@H+](CCOc1ccc(F)cc1)[C@H]1CCC[C@H]1O ZINC000352660112 154324697 /nfs/dbraw/zinc/32/46/97/154324697.db2.gz MJGDNIAYKSTLPH-UONOGXRCSA-N 1 0 253.317 2.050 10 0 CEAERO C[C@@H](C(=O)NCc1cccc2ccccc21)C1C[NH2+]C1 ZINC000164497293 162335198 /nfs/dbraw/zinc/33/51/98/162335198.db2.gz MZOURTVAHYDPER-GFCCVEGCSA-N 1 0 268.360 2.312 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@H](C)C2C[NH2+]C2)cc1F ZINC000164672874 162336964 /nfs/dbraw/zinc/33/69/64/162336964.db2.gz IHVQEEGDSYSLJH-MNOVXSKESA-N 1 0 264.344 2.167 10 0 CEAERO CO[C@H]1CCN(C(=O)Nc2ccc(Cl)cc2)[C@@H](C[NH3+])C1 ZINC000167287049 162357878 /nfs/dbraw/zinc/35/78/78/162357878.db2.gz JQBWEFGCBJDQOV-OLZOCXBDSA-N 1 0 297.786 2.310 10 0 CEAERO CCn1cnnc1[C@@H]1CCC[N@H+](C[Si](C)(C)C)C1 ZINC000171736215 162391095 /nfs/dbraw/zinc/39/10/95/162391095.db2.gz WHISOVPHPDGHLS-GFCCVEGCSA-N 1 0 266.465 2.355 10 0 CEAERO Brc1cncc(NC[C@@H]2CCC[NH2+]2)c1 ZINC000261527828 162540611 /nfs/dbraw/zinc/54/06/11/162540611.db2.gz HOCZZZUNEFOCJD-VIFPVBQESA-N 1 0 256.147 2.008 10 0 CEAERO CC(C)OCCC[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000171504303 165048194 /nfs/dbraw/zinc/04/81/94/165048194.db2.gz QPNGGNOWXUOJJL-CQSZACIVSA-N 1 0 251.374 2.372 10 0 CEAERO CC[C@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1nccs1 ZINC000172617069 165059855 /nfs/dbraw/zinc/05/98/55/165059855.db2.gz OHCPZQFKYDXQQJ-NEPJUHHUSA-N 1 0 294.424 2.084 10 0 CEAERO Cc1ccc([C@H](O)C[N@H+]2CC[C@H](c3cnn(C)c3)C2)cc1 ZINC000173761052 165084628 /nfs/dbraw/zinc/08/46/28/165084628.db2.gz SARQHPHXFTTYEK-DOTOQJQBSA-N 1 0 285.391 2.251 10 0 CEAERO C[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173921896 165086033 /nfs/dbraw/zinc/08/60/33/165086033.db2.gz OQQDICDFPBYOTI-JSGCOSHPSA-N 1 0 296.361 2.432 10 0 CEAERO CCn1c(C)nnc1CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000173938664 165092258 /nfs/dbraw/zinc/09/22/58/165092258.db2.gz PDEFOIYFLYTHII-CABCVRRESA-N 1 0 291.443 2.054 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCCCCOC ZINC000175034688 165124155 /nfs/dbraw/zinc/12/41/55/165124155.db2.gz PIWUCPCFYPCHNU-LSDHHAIUSA-N 1 0 254.418 2.362 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CC[C@@H]1CCCCO1 ZINC000177024029 165185816 /nfs/dbraw/zinc/18/58/16/165185816.db2.gz MATWUDMSMRSQHL-CABCVRRESA-N 1 0 282.428 2.278 10 0 CEAERO C[C@H](C[NH2+][C@@H](C)C1CCCCC1)N1CCOCC1 ZINC000177199284 165189804 /nfs/dbraw/zinc/18/98/04/165189804.db2.gz WGWDRRHCWJVGDN-KGLIPLIRSA-N 1 0 254.418 2.266 10 0 CEAERO Cn1cc([C@H]2CC[N@H+](Cc3cccc4nccn43)C2)cn1 ZINC000180330962 165305600 /nfs/dbraw/zinc/30/56/00/165305600.db2.gz AAHDIXNFMCFVOO-ZDUSSCGKSA-N 1 0 281.363 2.057 10 0 CEAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(C)o1)CC2 ZINC000180611457 165317877 /nfs/dbraw/zinc/31/78/77/165317877.db2.gz FFPSXZNKAJJDOV-VXGBXAGGSA-N 1 0 274.368 2.408 10 0 CEAERO Cc1nc(C[C@H]2CCC[N@H+](Cc3cnoc3C)C2)no1 ZINC000181682332 165352233 /nfs/dbraw/zinc/35/22/33/165352233.db2.gz UVMFWKZFJJCUMJ-GFCCVEGCSA-N 1 0 276.340 2.129 10 0 CEAERO Cn1cc([C@@H]2CC[N@H+](C[C@H](O)CCc3ccccc3)C2)cn1 ZINC000182393445 165369209 /nfs/dbraw/zinc/36/92/09/165369209.db2.gz IGSGNHNOLZUBRG-SJLPKXTDSA-N 1 0 299.418 2.203 10 0 CEAERO COCc1ccsc1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000182375328 165370981 /nfs/dbraw/zinc/37/09/81/165370981.db2.gz YRQGEKMRNGSQDN-YPMHNXCESA-N 1 0 296.436 2.353 10 0 CEAERO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCc1cccc(F)c1 ZINC000182635289 165375513 /nfs/dbraw/zinc/37/55/13/165375513.db2.gz HTEPNYGNKXZBDV-OAHLLOKOSA-N 1 0 278.371 2.311 10 0 CEAERO CCC[C@@H](C(=O)N[C@@H]1CC(C)(C)OC1(C)C)[NH+](C)C ZINC000183102698 165384045 /nfs/dbraw/zinc/38/40/45/165384045.db2.gz HAUZIOSUCRHGRI-NWDGAFQWSA-N 1 0 270.417 2.179 10 0 CEAERO Cn1cccc1-c1ccnc(SCC[NH+](C)C)n1 ZINC000006072429 170174063 /nfs/dbraw/zinc/17/40/63/170174063.db2.gz BAUNNMQIHMPUPR-UHFFFAOYSA-N 1 0 262.382 2.136 10 0 CEAERO Cc1ccccc1[C@@H](C[NH3+])S(=O)(=O)c1ccccc1 ZINC000008031134 170315123 /nfs/dbraw/zinc/31/51/23/170315123.db2.gz SSNMUGUGNVXBBJ-OAHLLOKOSA-N 1 0 275.373 2.469 10 0 CEAERO Cc1ccccc1[C@H](C[NH3+])S(=O)(=O)c1ccccc1 ZINC000008031137 170315290 /nfs/dbraw/zinc/31/52/90/170315290.db2.gz SSNMUGUGNVXBBJ-HNNXBMFYSA-N 1 0 275.373 2.469 10 0 CEAERO COC(=O)c1ccc(Cl)c(NC(=O)[C@@H]([NH3+])C(C)C)c1 ZINC000011958791 170462257 /nfs/dbraw/zinc/46/22/57/170462257.db2.gz FFCLULQCEPEZAR-NSHDSACASA-N 1 0 284.743 2.048 10 0 CEAERO COc1cccc(NC(=O)c2cccc(C[NH3+])c2)c1 ZINC000019399779 170784379 /nfs/dbraw/zinc/78/43/79/170784379.db2.gz LOWFBUUSLRNOQV-UHFFFAOYSA-N 1 0 256.305 2.406 10 0 CEAERO O=C([C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CCCCCC1 ZINC000019483294 170810751 /nfs/dbraw/zinc/81/07/51/170810751.db2.gz JOAZWPKBHKNPTB-HZSPNIEDSA-N 1 0 250.386 2.310 10 0 CEAERO C[C@@H]([NH3+])CCc1ccc(OCC(=O)N2CCCCC2)cc1 ZINC000019816582 170881140 /nfs/dbraw/zinc/88/11/40/170881140.db2.gz VIJMOVYXKRRPPF-CQSZACIVSA-N 1 0 290.407 2.358 10 0 CEAERO Cc1nc([C@@H](C)[NH2+]CCC(=O)N2CCCC2)c(C)s1 ZINC000020127421 171012835 /nfs/dbraw/zinc/01/28/35/171012835.db2.gz BERDDCIDFVIIAR-SNVBAGLBSA-N 1 0 281.425 2.423 10 0 CEAERO O=C(CC[NH2+]CCCc1ccccc1)N1CCCC1 ZINC000020127381 171012980 /nfs/dbraw/zinc/01/29/80/171012980.db2.gz TUFGJCKSFGVFAX-UHFFFAOYSA-N 1 0 260.381 2.221 10 0 CEAERO C[C@@H]([NH2+][C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCCC2 ZINC000020133359 171020964 /nfs/dbraw/zinc/02/09/64/171020964.db2.gz DNWHXHNKYKOFRJ-WBMJQRKESA-N 1 0 293.432 2.403 10 0 CEAERO C[NH+]1CCC(NCc2nc3ccccc3s2)CC1 ZINC000020135963 171023398 /nfs/dbraw/zinc/02/33/98/171023398.db2.gz BNGJQRYNOUJECC-UHFFFAOYSA-N 1 0 261.394 2.480 10 0 CEAERO CC(C)[C@H](CN[C@H]1COc2cc(O)ccc21)[NH+](C)C ZINC000020145798 171031051 /nfs/dbraw/zinc/03/10/51/171031051.db2.gz ZSHCUSBSMKGUBG-KBPBESRZSA-N 1 0 264.369 2.002 10 0 CEAERO [NH3+]Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1F ZINC000020189262 171054306 /nfs/dbraw/zinc/05/43/06/171054306.db2.gz XMWFWELWQDGOCQ-UHFFFAOYSA-N 1 0 298.314 2.224 10 0 CEAERO COc1cc(C[NH2+]CCCOC(C)C)ccc1O ZINC000020197851 171061941 /nfs/dbraw/zinc/06/19/41/171061941.db2.gz SZEFRWQVZLXGES-UHFFFAOYSA-N 1 0 253.342 2.306 10 0 CEAERO COC(=O)c1ccc(Cl)c(NC(=O)[C@H]2CCC[NH2+]C2)c1 ZINC000020269828 171125546 /nfs/dbraw/zinc/12/55/46/171125546.db2.gz NWGZILYVXJVCQS-JTQLQIEISA-N 1 0 296.754 2.065 10 0 CEAERO CCC[C@@H](C)NC(=O)[C@H](C)NCCC[NH+](CC)CC ZINC000020365735 171164246 /nfs/dbraw/zinc/16/42/46/171164246.db2.gz YJCNPWMGJHMQQF-KGLIPLIRSA-N 1 0 271.449 2.001 10 0 CEAERO Clc1ccccc1OCc1ncc2c(n1)CC[NH2+]C2 ZINC000020383475 171173976 /nfs/dbraw/zinc/17/39/76/171173976.db2.gz AHZAGQPQFAEMSB-UHFFFAOYSA-N 1 0 275.739 2.355 10 0 CEAERO CC(C)CNC(=O)[C@@H](C)Oc1ccccc1[C@@H](C)[NH3+] ZINC000020419494 171184334 /nfs/dbraw/zinc/18/43/34/171184334.db2.gz LLSKFRVYXHQLOK-VXGBXAGGSA-N 1 0 264.369 2.246 10 0 CEAERO CC[C@@H](C)NC(=O)[C@H](C)Oc1ccc([C@@H](C)[NH3+])cc1OC ZINC000020419852 171184838 /nfs/dbraw/zinc/18/48/38/171184838.db2.gz DFXWFWMBAZEDGS-UTUOFQBUSA-N 1 0 294.395 2.397 10 0 CEAERO CCCCNC(=O)[C@H](C)Oc1cccc([C@@H](C)[NH3+])c1 ZINC000020419759 171185362 /nfs/dbraw/zinc/18/53/62/171185362.db2.gz KGEDUTSNTDIHLM-NEPJUHHUSA-N 1 0 264.369 2.390 10 0 CEAERO O=C(NCCc1ccccc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000020563993 171252972 /nfs/dbraw/zinc/25/29/72/171252972.db2.gz XVTVURQJABBHOG-MRXNPFEDSA-N 1 0 287.407 2.109 10 0 CEAERO COc1ccc([C@@H]2C[C@H]2[C@@H](C)[NH3+])c(OC)c1OC ZINC000020594456 171263621 /nfs/dbraw/zinc/26/36/21/171263621.db2.gz HMVDXADTKUNJRS-MIMYLULJSA-N 1 0 251.326 2.163 10 0 CEAERO C[C@H]1Cc2ccccc2N1C(=O)C[C@@H]1CCCC[NH2+]1 ZINC000020597196 171265979 /nfs/dbraw/zinc/26/59/79/171265979.db2.gz YQWMEXWYBZPBIP-JSGCOSHPSA-N 1 0 258.365 2.496 10 0 CEAERO CCC[C@H](C)NS(=O)(=O)c1cccc([C@H](C)[NH3+])c1 ZINC000021814401 171331718 /nfs/dbraw/zinc/33/17/18/171331718.db2.gz KQOSHKJQDKOKIX-QWRGUYRKSA-N 1 0 270.398 2.173 10 0 CEAERO C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1cccc(C[NH3+])c1 ZINC000022167405 171366384 /nfs/dbraw/zinc/36/63/84/171366384.db2.gz RAVURAOAWSXAPB-RYUDHWBXSA-N 1 0 282.409 2.097 10 0 CEAERO C[C@@H]1CN([C@@H](C[NH3+])c2ccc(F)c(F)c2)C[C@@H](C)O1 ZINC000022168381 171366966 /nfs/dbraw/zinc/36/69/66/171366966.db2.gz CFVQXHGAFNUKCZ-RULNRJAQSA-N 1 0 270.323 2.074 10 0 CEAERO C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)Nc1ccccc1N ZINC000022177117 171370975 /nfs/dbraw/zinc/37/09/75/171370975.db2.gz NBFOUZHQFFFIEY-TXEJJXNPSA-N 1 0 261.369 2.470 10 0 CEAERO COc1ccc(NC(=O)[C@H](C)[NH+]2CCCCC2)c(N)c1 ZINC000022177899 171371278 /nfs/dbraw/zinc/37/12/78/171371278.db2.gz KKRNFZDCNXEPAN-NSHDSACASA-N 1 0 277.368 2.090 10 0 CEAERO C[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(C[NH3+])cc2)[C@@H]1C ZINC000022218377 171376904 /nfs/dbraw/zinc/37/69/04/171376904.db2.gz LNGKDXAKLPAGLJ-JMSVASOKSA-N 1 0 296.436 2.248 10 0 CEAERO Cc1ccc(NS(=O)(=O)c2cccc(C[NH3+])c2)cc1F ZINC000022220295 171377213 /nfs/dbraw/zinc/37/72/13/171377213.db2.gz XBGLJWRZSZWUCE-UHFFFAOYSA-N 1 0 294.351 2.394 10 0 CEAERO [NH3+][C@@H](CN1CCCCC1)c1ccc2c(c1)OCCCO2 ZINC000022562916 171391063 /nfs/dbraw/zinc/39/10/63/171391063.db2.gz CXDCXRFTAJGMRK-AWEZNQCLSA-N 1 0 276.380 2.334 10 0 CEAERO c1cc2c(cc1CC[NH2+]C[C@H]1CCCCO1)OCCO2 ZINC000035151161 172014701 /nfs/dbraw/zinc/01/47/01/172014701.db2.gz QSXLPGSXCCSHAX-CQSZACIVSA-N 1 0 277.364 2.159 10 0 CEAERO COCCCNC1=[NH+]C[C@H](c2ccccc2)S1 ZINC000035295266 172106926 /nfs/dbraw/zinc/10/69/26/172106926.db2.gz SIUCAQYGZGONOX-GFCCVEGCSA-N 1 0 250.367 2.457 10 0 CEAERO CC(C)[NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000035295563 172107302 /nfs/dbraw/zinc/10/73/02/172107302.db2.gz GQLVNALNDOOKAQ-NSHDSACASA-N 1 0 257.330 2.042 10 0 CEAERO C[NH+](C)CCCNc1ccc2scnc2c1N ZINC000035344368 172136434 /nfs/dbraw/zinc/13/64/34/172136434.db2.gz WOPFGHODLKJTEN-UHFFFAOYSA-N 1 0 250.371 2.242 10 0 CEAERO CCCS(=O)(=O)c1ccccc1NCCC[NH+](C)C ZINC000035348623 172142891 /nfs/dbraw/zinc/14/28/91/172142891.db2.gz QRVVYWXWSVJTMP-UHFFFAOYSA-N 1 0 284.425 2.234 10 0 CEAERO CCC[N@H+](Cc1ccccc1N)[C@H](C)C(=O)NCC ZINC000035365241 172155199 /nfs/dbraw/zinc/15/51/99/172155199.db2.gz MHDHRKDERFMGCL-GFCCVEGCSA-N 1 0 263.385 2.005 10 0 CEAERO CC(C)[NH2+]Cc1c(N2CCCC2)nc2sccn12 ZINC000035429554 172197474 /nfs/dbraw/zinc/19/74/74/172197474.db2.gz CFMXHJVREYBVOP-UHFFFAOYSA-N 1 0 264.398 2.494 10 0 CEAERO C[NH2+]Cc1c(Oc2cccnc2)nc2sccn12 ZINC000035430807 172199159 /nfs/dbraw/zinc/19/91/59/172199159.db2.gz XULNOQRALSHGOL-UHFFFAOYSA-N 1 0 260.322 2.303 10 0 CEAERO CC[C@@H](C)N(CC)c1nc2sccn2c1C[NH3+] ZINC000035430238 172199514 /nfs/dbraw/zinc/19/95/14/172199514.db2.gz XMXCWRREVARYKL-SECBINFHSA-N 1 0 252.387 2.479 10 0 CEAERO CC[C@@H](C)NS(=O)(=O)c1cccc([C@H](C)[NH2+]C)c1 ZINC000035632855 172315244 /nfs/dbraw/zinc/31/52/44/172315244.db2.gz ZMZRIPODIDKKCX-MNOVXSKESA-N 1 0 270.398 2.044 10 0 CEAERO CCCCCN(C)S(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000035679484 172350269 /nfs/dbraw/zinc/35/02/69/172350269.db2.gz HNZIRVRRQJQSNV-UHFFFAOYSA-N 1 0 290.454 2.060 10 0 CEAERO C[C@@H](NC(=O)Cc1ccccc1F)[C@H]1CCCC[NH2+]1 ZINC000035690546 172358794 /nfs/dbraw/zinc/35/87/94/172358794.db2.gz KTOVLWHCDPEYED-BXUZGUMPSA-N 1 0 264.344 2.015 10 0 CEAERO COc1ccccc1NC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000035690957 172359599 /nfs/dbraw/zinc/35/95/99/172359599.db2.gz IRTBPGBLDDOFCV-NWDGAFQWSA-N 1 0 277.368 2.205 10 0 CEAERO CCC[NH2+][C@@H]1CCCS(=O)(=O)c2ccccc21 ZINC000035760517 172398861 /nfs/dbraw/zinc/39/88/61/172398861.db2.gz BOTMFKMQMYGFSM-GFCCVEGCSA-N 1 0 253.367 2.295 10 0 CEAERO COc1cccc(C(=O)NCc2cccc(C[NH3+])c2)c1 ZINC000036201999 172515136 /nfs/dbraw/zinc/51/51/36/172515136.db2.gz SJXHJAAHHPPTNC-UHFFFAOYSA-N 1 0 270.332 2.084 10 0 CEAERO COc1ccc(C[NH3+])cc1OC[C@H]1CCCCO1 ZINC000036230662 172527645 /nfs/dbraw/zinc/52/76/45/172527645.db2.gz QIPCKCSGQDQAKI-GFCCVEGCSA-N 1 0 251.326 2.102 10 0 CEAERO [NH3+][C@@H](c1ccc(F)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000036892144 172784970 /nfs/dbraw/zinc/78/49/70/172784970.db2.gz BKYMXKGUULQUDZ-ZDUSSCGKSA-N 1 0 258.252 2.308 10 0 CEAERO CCC[N@H+](C)CCOc1ccccc1C(N)=S ZINC000037144551 172983233 /nfs/dbraw/zinc/98/32/33/172983233.db2.gz BPEFAMNQXXUJSA-UHFFFAOYSA-N 1 0 252.383 2.041 10 0 CEAERO COc1ccc(C[NH2+][C@H](CC(C)C)CN(C)C)cc1O ZINC000037166719 173001673 /nfs/dbraw/zinc/00/16/73/173001673.db2.gz NAYUPLNVVUHAKI-CQSZACIVSA-N 1 0 280.412 2.467 10 0 CEAERO CCCCC[NH2+][C@@H]1CCCc2c1cnn2CCO ZINC000037169123 173003505 /nfs/dbraw/zinc/00/35/05/173003505.db2.gz DQOBLPOAYVGYFL-CYBMUJFWSA-N 1 0 251.374 2.033 10 0 CEAERO OCC[NH2+][C@H]1CCOc2c(Cl)cc(Cl)cc21 ZINC000037250664 173062812 /nfs/dbraw/zinc/06/28/12/173062812.db2.gz RYLSFTMRRJHBRJ-JTQLQIEISA-N 1 0 262.136 2.399 10 0 CEAERO COc1ccccc1CC(=O)Nc1ccc(C[NH3+])cc1 ZINC000037295974 173100049 /nfs/dbraw/zinc/10/00/49/173100049.db2.gz MIJPYEVGYHIRGY-UHFFFAOYSA-N 1 0 270.332 2.335 10 0 CEAERO COc1ccccc1N(CCC[NH3+])C(=O)[C@@H]1C[C@@H]1C ZINC000037298183 173102030 /nfs/dbraw/zinc/10/20/30/173102030.db2.gz IOCVKVFPTYRTJK-NWDGAFQWSA-N 1 0 262.353 2.033 10 0 CEAERO COC(=O)CC[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000037302292 173108345 /nfs/dbraw/zinc/10/83/45/173108345.db2.gz XTZWMPWRXSSIBW-UHFFFAOYSA-N 1 0 277.242 2.238 10 0 CEAERO Cc1nc2sccn2c1C[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000037321072 173121652 /nfs/dbraw/zinc/12/16/52/173121652.db2.gz DMUSPNCTUDJDIB-MNOVXSKESA-N 1 0 265.382 2.097 10 0 CEAERO CC[C@H]([NH2+]C)c1ccc(OCCS(=O)(=O)CC)cc1 ZINC000037370296 173159235 /nfs/dbraw/zinc/15/92/35/173159235.db2.gz OVUQTWBXCSTNBX-AWEZNQCLSA-N 1 0 285.409 2.171 10 0 CEAERO CC(=O)Nc1cccc(NC(=O)C[NH2+]C2CCCC2)c1 ZINC000037386894 173171139 /nfs/dbraw/zinc/17/11/39/173171139.db2.gz UJGFBAAHKRRNIN-UHFFFAOYSA-N 1 0 275.352 2.116 10 0 CEAERO COC(=O)CCC[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000037417152 173194725 /nfs/dbraw/zinc/19/47/25/173194725.db2.gz CCYNMFCRSONZNB-NSHDSACASA-N 1 0 281.352 2.308 10 0 CEAERO C[NH+](C)CC(C)(C)Cn1c(N)nc2c1cccc2F ZINC000037421074 173197603 /nfs/dbraw/zinc/19/76/03/173197603.db2.gz VJRPYKSYVCEFPK-UHFFFAOYSA-N 1 0 264.348 2.345 10 0 CEAERO CCn1c2ccc(C)cc2nc1[C@H]1C[C@H](OC)C[NH2+]1 ZINC000037438196 173208452 /nfs/dbraw/zinc/20/84/52/173208452.db2.gz ZGOXRROJKBDULC-WCQYABFASA-N 1 0 259.353 2.414 10 0 CEAERO CCCn1c2ccc(Cl)cc2nc1[C@@H]([NH3+])[C@H](C)O ZINC000037440560 173210089 /nfs/dbraw/zinc/21/00/89/173210089.db2.gz YJCSHWIPJOCJLZ-UFBFGSQYSA-N 1 0 267.760 2.480 10 0 CEAERO CO[C@@H]1C[NH2+][C@@H](c2nc3cc(Cl)ccc3n2C)C1 ZINC000037440319 173210176 /nfs/dbraw/zinc/21/01/76/173210176.db2.gz BNIWGQPZZFRNTG-GXSJLCMTSA-N 1 0 265.744 2.276 10 0 CEAERO O=C(C[NH2+]C1CC1)N1CC=C(c2ccccc2)CC1 ZINC000037495217 173235172 /nfs/dbraw/zinc/23/51/72/173235172.db2.gz RIGJNABURHQDTD-UHFFFAOYSA-N 1 0 256.349 2.054 10 0 CEAERO CCCN(C(=O)CCc1ccco1)[C@@H]1CCC[NH2+]C1 ZINC000037541542 173263399 /nfs/dbraw/zinc/26/33/99/173263399.db2.gz OKENBHHYTNAIQT-CYBMUJFWSA-N 1 0 264.369 2.203 10 0 CEAERO CC[NH+](CC)C[C@@H]1CN(C(=O)c2ccc(C)cc2)CCO1 ZINC000037545234 173264235 /nfs/dbraw/zinc/26/42/35/173264235.db2.gz VQQJXRPXEBBDKK-MRXNPFEDSA-N 1 0 290.407 2.178 10 0 CEAERO COC(=O)CCC[C@H]([NH3+])c1ccc(OC)c(C)c1 ZINC000037636968 173584974 /nfs/dbraw/zinc/58/49/74/173584974.db2.gz CWDSQOBLCQBFIX-LBPRGKRZSA-N 1 0 251.326 2.347 10 0 CEAERO CC(C)(C)CC(=O)N1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000037915908 173849817 /nfs/dbraw/zinc/84/98/17/173849817.db2.gz SJPIJOXIBHBOGX-CYBMUJFWSA-N 1 0 252.402 2.413 10 0 CEAERO COc1cccc([C@H]([NH2+]C2CCCCC2)C(N)=O)c1 ZINC000037969748 173918135 /nfs/dbraw/zinc/91/81/35/173918135.db2.gz VRSNNIRQKXVIKK-AWEZNQCLSA-N 1 0 262.353 2.144 10 0 CEAERO Clc1cc2c(cc1NC1CC[NH2+]CC1)OCCO2 ZINC000038040911 174041402 /nfs/dbraw/zinc/04/14/02/174041402.db2.gz ZLMKUFZDTCVEGP-UHFFFAOYSA-N 1 0 268.744 2.275 10 0 CEAERO Cc1cc(C)cc(OC[C@H](O)C[NH2+]C[C@H]2CCCOC2)c1 ZINC000038045318 174053432 /nfs/dbraw/zinc/05/34/32/174053432.db2.gz NHCNECIZBBXTPB-HZPDHXFCSA-N 1 0 293.407 2.059 10 0 CEAERO CC[C@@H](C)[NH2+][C@H](C(N)=O)c1ccccc1OC(F)F ZINC000038065000 174075535 /nfs/dbraw/zinc/07/55/35/174075535.db2.gz RDSGFUSZHYYFDX-KCJUWKMLSA-N 1 0 272.295 2.203 10 0 CEAERO CCC[NH+]1CCC(N[C@H](C)CC)(C(=O)OCC)CC1 ZINC000038067403 174078898 /nfs/dbraw/zinc/07/88/98/174078898.db2.gz HHDFRHKCVIRFHZ-CYBMUJFWSA-N 1 0 270.417 2.182 10 0 CEAERO CCCN(CCC[NH3+])C(=O)Nc1cccc(F)c1 ZINC000038076346 174086883 /nfs/dbraw/zinc/08/68/83/174086883.db2.gz WXKKODDVPROPNB-UHFFFAOYSA-N 1 0 253.321 2.418 10 0 CEAERO CC(C)c1ccc([C@@H](O)C[NH2+]C[C@H]2CCOC2)cc1 ZINC000038094622 174108376 /nfs/dbraw/zinc/10/83/76/174108376.db2.gz BCKXQPLPYSPDFL-CJNGLKHVSA-N 1 0 263.381 2.470 10 0 CEAERO C[NH2+]C[C@@H](c1ccc(OC)cc1OC)N1CCCC1 ZINC000039795625 174173559 /nfs/dbraw/zinc/17/35/59/174173559.db2.gz OMLVNSNWCGLEAJ-AWEZNQCLSA-N 1 0 264.369 2.060 10 0 CEAERO CC(C)[C@@H](C)NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000040459277 174269006 /nfs/dbraw/zinc/26/90/06/174269006.db2.gz NSLZPLZUGOLXRH-RISCZKNCSA-N 1 0 273.380 2.198 10 0 CEAERO CSCC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000040462490 174271655 /nfs/dbraw/zinc/27/16/55/174271655.db2.gz PMKCKXRSTPAAAE-JTQLQIEISA-N 1 0 296.392 2.213 10 0 CEAERO COC(=O)C[C@@H](C)[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000040491084 174292554 /nfs/dbraw/zinc/29/25/54/174292554.db2.gz LHQOARUMXRQGBM-GHMZBOCLSA-N 1 0 281.352 2.306 10 0 CEAERO CCCO[C@H]1CCCN(C(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000040501370 174297514 /nfs/dbraw/zinc/29/75/14/174297514.db2.gz HSXIXQQBSMMCPA-GJZGRUSLSA-N 1 0 276.380 2.104 10 0 CEAERO Cc1nc(C)c([C@H](C)NC(=O)CC2CC[NH2+]CC2)s1 ZINC000040519079 174308649 /nfs/dbraw/zinc/30/86/49/174308649.db2.gz GRWHICYFRKDPPE-JTQLQIEISA-N 1 0 281.425 2.327 10 0 CEAERO C[NH2+]C[C@@H]1CCCN(Cc2nc3ccccc3o2)C1 ZINC000040599580 174350568 /nfs/dbraw/zinc/35/05/68/174350568.db2.gz ABKWOFBSXUSRRL-LBPRGKRZSA-N 1 0 259.353 2.259 10 0 CEAERO O=C1C[C@@H](c2ccccc2)C(=O)N1CC[C@@H]1CCCC[NH2+]1 ZINC000040605839 174353088 /nfs/dbraw/zinc/35/30/88/174353088.db2.gz GCGSBTNSUHWLGH-GJZGRUSLSA-N 1 0 286.375 2.061 10 0 CEAERO c1c(C[NH2+][C@H]2CN3CCC2CC3)sc2c1CCC2 ZINC000040625985 174356237 /nfs/dbraw/zinc/35/62/37/174356237.db2.gz UWODSGVMYWZQTI-AWEZNQCLSA-N 1 0 262.422 2.421 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccc(C(C)C)cc2)C1 ZINC000040630244 174358012 /nfs/dbraw/zinc/35/80/12/174358012.db2.gz ZWLZGWPVQPSQHU-ZIAGYGMSSA-N 1 0 262.353 2.125 10 0 CEAERO COc1ccc(C)cc1-c1c[nH]c([C@@H]2C[C@@H](OC)C[NH2+]2)n1 ZINC000040637857 174361635 /nfs/dbraw/zinc/36/16/35/174361635.db2.gz BAVDSWXRZJJUBU-YPMHNXCESA-N 1 0 287.363 2.443 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](CN(Cc2ccccc2)C(C)C)C1 ZINC000040637328 174362120 /nfs/dbraw/zinc/36/21/20/174362120.db2.gz NLEXTQRVCYFBKJ-HOTGVXAUSA-N 1 0 262.397 2.274 10 0 CEAERO Cn1ccnc1CC[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000040638522 174362882 /nfs/dbraw/zinc/36/28/82/174362882.db2.gz KUOOBCDYIXYDKN-UHFFFAOYSA-N 1 0 281.306 2.354 10 0 CEAERO COC(=O)CCC[NH2+]C[C@@]1(N(C)C)CCC[C@@H](C)C1 ZINC000040669224 174368126 /nfs/dbraw/zinc/36/81/26/174368126.db2.gz DZQKXNUTBWKNDQ-UKRRQHHQSA-N 1 0 270.417 2.040 10 0 CEAERO CCCCOC(=O)CNC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000040669304 174368190 /nfs/dbraw/zinc/36/81/90/174368190.db2.gz XSYDZBUEHQPPFT-HOCLYGCPSA-N 1 0 284.444 2.430 10 0 CEAERO C[C@H]([NH2+]C(C)(C)C(N)=O)c1ccc(Br)cc1 ZINC000040674049 174372380 /nfs/dbraw/zinc/37/23/80/174372380.db2.gz DSJDTSFWKBNIPK-QMMMGPOBSA-N 1 0 285.185 2.364 10 0 CEAERO CCOC1CC[NH+](CCOc2ccccc2N)CC1 ZINC000040678366 174374177 /nfs/dbraw/zinc/37/41/77/174374177.db2.gz SQVSUKCBXWPBHY-UHFFFAOYSA-N 1 0 264.369 2.149 10 0 CEAERO CCOC1CC[NH+]([C@H](CN)C2CCCCC2)CC1 ZINC000040678709 174374520 /nfs/dbraw/zinc/37/45/20/174374520.db2.gz PEZFUXOGCMUTJS-OAHLLOKOSA-N 1 0 254.418 2.395 10 0 CEAERO CCOC1CCN([C@H](C[NH3+])c2ccccc2F)CC1 ZINC000040678721 174374917 /nfs/dbraw/zinc/37/49/17/174374917.db2.gz WAMDHQUZJROPKG-OAHLLOKOSA-N 1 0 266.360 2.326 10 0 CEAERO CCOC1CCN([C@@H](C[NH3+])c2ccccc2OC)CC1 ZINC000040689121 174375958 /nfs/dbraw/zinc/37/59/58/174375958.db2.gz WBNXEWOIPIYCCH-HNNXBMFYSA-N 1 0 278.396 2.196 10 0 CEAERO C[N@@H+]1CCC[C@H](NC(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000040690810 174376891 /nfs/dbraw/zinc/37/68/91/174376891.db2.gz QDAZLCIRQXVXNO-VIFPVBQESA-N 1 0 288.178 2.212 10 0 CEAERO C[C@H]1CCN([C@@H](C[NH3+])c2cc(Cl)c3c(c2)OCCO3)C1 ZINC000040717379 174385024 /nfs/dbraw/zinc/38/50/24/174385024.db2.gz ATZNDUCDQGMQLJ-GWCFXTLKSA-N 1 0 296.798 2.453 10 0 CEAERO C[C@@H]1CCN(c2nc3ccccn3c2C[NH2+]C2CC2)C1 ZINC000040723777 174385973 /nfs/dbraw/zinc/38/59/73/174385973.db2.gz KHPZOSVFNPPIMU-GFCCVEGCSA-N 1 0 270.380 2.433 10 0 CEAERO CCCc1ccc([C@H]([NH3+])CN2C(=O)C[C@H](C)C2=O)cc1 ZINC000040739763 174390704 /nfs/dbraw/zinc/39/07/04/174390704.db2.gz RUTVBAPBUFNDAH-SMDDNHRTSA-N 1 0 274.364 2.034 10 0 CEAERO CCCN(CC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748546 174393815 /nfs/dbraw/zinc/39/38/15/174393815.db2.gz MUBTZKIHXNJNIB-PBWFPOADSA-N 1 0 282.428 2.323 10 0 CEAERO Cc1ccsc1C(=O)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749704 174394327 /nfs/dbraw/zinc/39/43/27/174394327.db2.gz NPSYXUWDOUILNP-FGWVZKOKSA-N 1 0 250.367 2.151 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c(s1)CCC2 ZINC000040749669 174394529 /nfs/dbraw/zinc/39/45/29/174394529.db2.gz DATKPDYGCKHXIN-YOGCLGLASA-N 1 0 276.405 2.331 10 0 CEAERO CCc1cc(N(CC)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ncn1 ZINC000040765305 174397749 /nfs/dbraw/zinc/39/77/49/174397749.db2.gz CFCXDYOOJTYHAS-PBWFPOADSA-N 1 0 260.385 2.148 10 0 CEAERO c1cc(C[NH2+]CCN2CCCCCC2)cc2c1OCO2 ZINC000040767053 174398214 /nfs/dbraw/zinc/39/82/14/174398214.db2.gz SGZHTXXXBNWDAO-UHFFFAOYSA-N 1 0 276.380 2.381 10 0 CEAERO CC(C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2Nc1ccc(=O)n(C)c1 ZINC000040769293 174399132 /nfs/dbraw/zinc/39/91/32/174399132.db2.gz XYRULXASUDFHQU-VMZNBEPHSA-N 1 0 289.423 2.306 10 0 CEAERO CC(C)N1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H](C)Cn1cccn1 ZINC000040769249 174399466 /nfs/dbraw/zinc/39/94/66/174399466.db2.gz HNEOYXIAEFALOJ-PMRDEQMMSA-N 1 0 290.455 2.370 10 0 CEAERO Cc1cc(C)c(Cn2cc(C(C)(C)[NH3+])nn2)c(C)c1 ZINC000070118680 414766011 /nfs/dbraw/zinc/76/60/11/414766011.db2.gz YDGIRMKKKHLTHK-UHFFFAOYSA-N 1 0 258.369 2.445 10 0 CEAERO CCC1(CC)CCCN(C(=O)C2(C[NH3+])CCOCC2)C1 ZINC000662884118 414785929 /nfs/dbraw/zinc/78/59/29/414785929.db2.gz LXFWKDXGAMLDHE-UHFFFAOYSA-N 1 0 282.428 2.171 10 0 CEAERO COc1ccc(CCc2nc(C(C)(C)[NH3+])no2)cc1 ZINC000041151419 174498881 /nfs/dbraw/zinc/49/88/81/174498881.db2.gz VOTSQGXOVKACPA-UHFFFAOYSA-N 1 0 261.325 2.057 10 0 CEAERO CN(C)CC[NH2+]CCOc1ccc2c(c1)CCCC2 ZINC000041355198 174533289 /nfs/dbraw/zinc/53/32/89/174533289.db2.gz HMLSNLHCUUGHEB-UHFFFAOYSA-N 1 0 262.397 2.095 10 0 CEAERO C[C@@H]1CCC[C@@H](C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000662976514 414816678 /nfs/dbraw/zinc/81/66/78/414816678.db2.gz GALUPSVXRPPYSH-BBBLOLIVSA-N 1 0 266.307 2.161 10 0 CEAERO C[NH2+][C@H](C)c1cccc(NC(=O)Nc2nncs2)c1 ZINC000041708058 174611451 /nfs/dbraw/zinc/61/14/51/174611451.db2.gz KLMFXSBULGIRKI-MRVPVSSYSA-N 1 0 277.353 2.463 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(NC(=O)NCC(=O)OCC)cc1 ZINC000041717071 174615728 /nfs/dbraw/zinc/61/57/28/174615728.db2.gz VPQNHHSCQZXVPX-LLVKDONJSA-N 1 0 293.367 2.042 10 0 CEAERO CC[C@@H](C)CN(CC)C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653100615 414906101 /nfs/dbraw/zinc/90/61/01/414906101.db2.gz SJYYYNUIIBVYBE-GMTAPVOTSA-N 1 0 280.334 2.279 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]1)Nc1cnc2ccccc2c1 ZINC000042166797 174648752 /nfs/dbraw/zinc/64/87/52/174648752.db2.gz PVFVOXNTFXNLEJ-LBPRGKRZSA-N 1 0 255.321 2.315 10 0 CEAERO C[C@H]1CCC[C@@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CC1 ZINC000653150480 414926304 /nfs/dbraw/zinc/92/63/04/414926304.db2.gz CESWHEPVGLPSCC-IRCOFANPSA-N 1 0 292.345 2.469 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](C(=O)N[C@@H](CC(C)C)c2ccccc2)C1 ZINC000042276905 174673675 /nfs/dbraw/zinc/67/36/75/174673675.db2.gz ZMVOCGXLJCVGLJ-JYJNAYRXSA-N 1 0 290.407 2.267 10 0 CEAERO CC[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653073083 414896357 /nfs/dbraw/zinc/89/63/57/414896357.db2.gz QGESVNOITJRNTI-GMTAPVOTSA-N 1 0 278.318 2.033 10 0 CEAERO C[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CC1 ZINC000653080634 414898618 /nfs/dbraw/zinc/89/86/18/414898618.db2.gz NSLAIJXGTMDHHP-GMTAPVOTSA-N 1 0 278.318 2.033 10 0 CEAERO C[NH2+]C[C@H](C)Nc1ccc(Br)c(C)n1 ZINC000663281310 414902736 /nfs/dbraw/zinc/90/27/36/414902736.db2.gz RPHCVVZXZBCAAW-ZETCQYMHSA-N 1 0 258.163 2.172 10 0 CEAERO OC1(C[NH2+][C@@H]2CC3CCC2CC3)CCSCC1 ZINC000660625678 414903207 /nfs/dbraw/zinc/90/32/07/414903207.db2.gz RGCGLQGNCDPGFY-WXRRBKDZSA-N 1 0 255.427 2.413 10 0 CEAERO CCN(CCC(N)=[NH2+])c1ncccc1C(F)(F)F ZINC000042453223 174745719 /nfs/dbraw/zinc/74/57/19/174745719.db2.gz OHQAWJUCHNJEIR-UHFFFAOYSA-N 1 0 260.263 2.253 10 0 CEAERO CC(C)c1ccc(NS(=O)(=O)CCCC[NH3+])cc1 ZINC000042525060 174774820 /nfs/dbraw/zinc/77/48/20/174774820.db2.gz CNRWJAZAQVIYND-UHFFFAOYSA-N 1 0 270.398 2.291 10 0 CEAERO CC(C)[C@H](C[NH2+]C[C@H]1CC(=O)N(C)C1)c1ccccc1 ZINC000657694787 415050469 /nfs/dbraw/zinc/05/04/69/415050469.db2.gz GKPWKFJIPRQPBC-ZBFHGGJFSA-N 1 0 274.408 2.494 10 0 CEAERO CN1C[C@@H](C[NH2+]CC2CCC(C)(C)CC2)CC1=O ZINC000657698281 415052714 /nfs/dbraw/zinc/05/27/14/415052714.db2.gz UITPFFAHSOQSMR-CYBMUJFWSA-N 1 0 252.402 2.271 10 0 CEAERO COC(=O)CN(C(=O)Nc1ccc([C@@H](C)[NH3+])cc1)C(C)C ZINC000042728488 174858029 /nfs/dbraw/zinc/85/80/29/174858029.db2.gz PZZMBLAOBJBOCW-LLVKDONJSA-N 1 0 293.367 2.122 10 0 CEAERO CCN(CC(F)(F)F)[C@@H](CC[NH3+])C(F)(F)F ZINC000042739807 174862355 /nfs/dbraw/zinc/86/23/55/174862355.db2.gz BCXXLOHOSCBOBI-LURJTMIESA-N 1 0 252.202 2.150 10 0 CEAERO CN(Cc1cscn1)Cc1ccc(C(N)=[NH2+])cc1F ZINC000042866115 174894843 /nfs/dbraw/zinc/89/48/43/174894843.db2.gz NMRRAJWQRHIPGG-UHFFFAOYSA-N 1 0 278.356 2.198 10 0 CEAERO CC[C@H]([NH3+])Cc1cc2c(cc1OCC(F)F)OCO2 ZINC000042878922 174901442 /nfs/dbraw/zinc/90/14/42/174901442.db2.gz BNCVAXHMZUZNIV-VIFPVBQESA-N 1 0 273.279 2.339 10 0 CEAERO COc1c(C[NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)c(C)nn1C ZINC000657657872 415037567 /nfs/dbraw/zinc/03/75/67/415037567.db2.gz UOFXVCITTWGLSJ-RWMBFGLXSA-N 1 0 263.385 2.263 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1ccccc1F)N(C)C[C@@H]1CCCO1 ZINC000043044661 174956507 /nfs/dbraw/zinc/95/65/07/174956507.db2.gz MHKWZHGXPGVQEZ-XUJVJEKNSA-N 1 0 266.360 2.325 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1cnn(C)c1)N(C)Cc1ccsc1 ZINC000043127241 174978562 /nfs/dbraw/zinc/97/85/62/174978562.db2.gz OKGPZWCJJSMBEL-MFKMUULPSA-N 1 0 264.398 2.002 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1cnn(C)c1)N(CC)Cc1ccncc1 ZINC000043129327 174979885 /nfs/dbraw/zinc/97/98/85/174979885.db2.gz LMYWSHAUBWJBBE-JKSUJKDBSA-N 1 0 287.411 2.116 10 0 CEAERO C[C@H]([NH3+])[C@@H](Oc1cccc2cccnc21)c1cnn(C)c1 ZINC000043235454 174987375 /nfs/dbraw/zinc/98/73/75/174987375.db2.gz HNVSFIVYENUKMF-MEDUHNTESA-N 1 0 282.347 2.436 10 0 CEAERO [NH3+]C[C@@H](c1ccc(Br)s1)n1cccn1 ZINC000043263187 174995521 /nfs/dbraw/zinc/99/55/21/174995521.db2.gz UMKXMXRRLMLHMA-ZETCQYMHSA-N 1 0 272.171 2.255 10 0 CEAERO CC(C)(C)[C@@H](C[NH3+])Sc1nnnn1-c1ccccc1 ZINC000043297600 174999450 /nfs/dbraw/zinc/99/94/50/174999450.db2.gz IPQBPGJQURUUKO-LLVKDONJSA-N 1 0 277.397 2.128 10 0 CEAERO CC(C)c1ccc([C@H]([NH3+])[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000043299985 175001115 /nfs/dbraw/zinc/00/11/15/175001115.db2.gz GJRJCSBBFCJVKF-KGLIPLIRSA-N 1 0 267.394 2.245 10 0 CEAERO CCC[NH2+][C@H](c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043301388 175002117 /nfs/dbraw/zinc/00/21/17/175002117.db2.gz CJEGHGHZXHAPIQ-HUUCEWRRSA-N 1 0 281.421 2.470 10 0 CEAERO FC1(F)Oc2ccc(N[C@H]3CCC[NH2+]C3)cc2O1 ZINC000043324082 175006499 /nfs/dbraw/zinc/00/64/99/175006499.db2.gz IRQBZFNRZXBPME-VIFPVBQESA-N 1 0 256.252 2.172 10 0 CEAERO c1ccc(-c2ncc(N[C@@H]3CCC[NH2+]C3)cn2)cc1 ZINC000043326545 175008235 /nfs/dbraw/zinc/00/82/35/175008235.db2.gz MUFVWZNFZWUKTJ-CYBMUJFWSA-N 1 0 254.337 2.308 10 0 CEAERO COCCOc1cc(C)ccc1N[C@@H]1CCC[NH2+]C1 ZINC000043327237 175008818 /nfs/dbraw/zinc/00/88/18/175008818.db2.gz GFOMVENXGHGNSZ-CYBMUJFWSA-N 1 0 264.369 2.184 10 0 CEAERO CCOC1CCN([C@H](c2ccco2)[C@H](C)[NH3+])CC1 ZINC000043335490 175011211 /nfs/dbraw/zinc/01/12/11/175011211.db2.gz DOOSJNDQYWAEFC-FZMZJTMJSA-N 1 0 252.358 2.169 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccco1)N(CCO)C1CCCC1 ZINC000043336148 175011898 /nfs/dbraw/zinc/01/18/98/175011898.db2.gz HHBJEPIOAIPKGD-HIFRSBDPSA-N 1 0 266.385 2.295 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccccn1)N1CCCC[C@@H]1CCO ZINC000043338899 175013363 /nfs/dbraw/zinc/01/33/63/175013363.db2.gz ANYDRRHYQMWZAO-YCPHGPKFSA-N 1 0 277.412 2.097 10 0 CEAERO [NH3+]C[C@H](Oc1ccc2c(c1)CCC(=O)N2)c1ccccn1 ZINC000043341770 175015061 /nfs/dbraw/zinc/01/50/61/175015061.db2.gz UMEBOJJTZRLWGK-HNNXBMFYSA-N 1 0 283.331 2.045 10 0 CEAERO C[C@@H]([NH3+])[C@@H](OCCc1ccccn1)c1ccccn1 ZINC000043343538 175015602 /nfs/dbraw/zinc/01/56/02/175015602.db2.gz QRBUCGQNBSSNEK-IUODEOHRSA-N 1 0 257.337 2.124 10 0 CEAERO [NH3+]C[C@H](OCc1ccc2c(c1)OCO2)c1ccccn1 ZINC000043342824 175015687 /nfs/dbraw/zinc/01/56/87/175015687.db2.gz HHDFYJZCJJRMPT-HNNXBMFYSA-N 1 0 272.304 2.027 10 0 CEAERO [NH3+]C[C@@H](c1cccnc1)N1CCC[C@@H]1c1ccncc1 ZINC000043346747 175017310 /nfs/dbraw/zinc/01/73/10/175017310.db2.gz BJUVIZDJIIMZQX-CVEARBPZSA-N 1 0 268.364 2.314 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1cccnc1)n1cnc2ccccc21 ZINC000043348772 175018464 /nfs/dbraw/zinc/01/84/64/175018464.db2.gz BTFYZKSLWVDHGY-NHYWBVRUSA-N 1 0 252.321 2.368 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccncc1)N(C)Cc1ccncc1 ZINC000043353498 175020934 /nfs/dbraw/zinc/02/09/34/175020934.db2.gz ZQGLXKZKDWWZCZ-HOTGVXAUSA-N 1 0 270.380 2.387 10 0 CEAERO CN(Cc1ccc(F)cc1)[C@@H](C[NH3+])c1ccncc1 ZINC000043353575 175021010 /nfs/dbraw/zinc/02/10/10/175021010.db2.gz SSFCHCOZCWXGQG-HNNXBMFYSA-N 1 0 259.328 2.353 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccncc1)N(C)Cc1ccccn1 ZINC000043353509 175021057 /nfs/dbraw/zinc/02/10/57/175021057.db2.gz HLFWHWHHOKELOB-HOTGVXAUSA-N 1 0 270.380 2.387 10 0 CEAERO CCN(CC(F)(F)F)[C@@H](c1ccncc1)[C@@H](C)[NH3+] ZINC000043354793 175022471 /nfs/dbraw/zinc/02/24/71/175022471.db2.gz WJVFOOROPJPRRA-MWLCHTKSSA-N 1 0 261.291 2.354 10 0 CEAERO [NH3+]C[C@@H](c1ccncc1)n1ccnc1-c1ccccc1 ZINC000043354989 175022988 /nfs/dbraw/zinc/02/29/88/175022988.db2.gz MSAMIJSFMLLUTE-HNNXBMFYSA-N 1 0 264.332 2.493 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccncc1)n1cnc2ccccc21 ZINC000043354912 175023146 /nfs/dbraw/zinc/02/31/46/175023146.db2.gz CGSWBENECHXFCX-IAQYHMDHSA-N 1 0 252.321 2.368 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccncc1)n1cc(Br)cn1 ZINC000043354985 175023179 /nfs/dbraw/zinc/02/31/79/175023179.db2.gz JWPJPSCEGZRXIL-NWDGAFQWSA-N 1 0 295.184 2.367 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1nccn1C)c1ccncc1 ZINC000043356406 175023576 /nfs/dbraw/zinc/02/35/76/175023576.db2.gz UBSXJCBLEWCASJ-RYUDHWBXSA-N 1 0 262.382 2.386 10 0 CEAERO Cc1ccc([C@H]([C@@H](C)[NH3+])N(C)CC(F)(F)F)o1 ZINC000043364513 175025920 /nfs/dbraw/zinc/02/59/20/175025920.db2.gz QGKQUQYIWJXEPX-SCZZXKLOSA-N 1 0 250.264 2.470 10 0 CEAERO C[C@@H]([NH3+])[C@H](N1CCC[C@@H]1c1cccnc1)C(F)(F)F ZINC000043377496 175030146 /nfs/dbraw/zinc/03/01/46/175030146.db2.gz BLQWJUSXVLMYFO-JLLWLGSASA-N 1 0 273.302 2.497 10 0 CEAERO C[C@H]([NH3+])[C@@H](Oc1ccc2c(c1)OCO2)C(F)(F)F ZINC000043384529 175031525 /nfs/dbraw/zinc/03/15/25/175031525.db2.gz FVKGMDHXHJKWEL-QUBYGPBYSA-N 1 0 263.215 2.072 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](OCCc1ccccn1)C(F)(F)F ZINC000043384883 175031640 /nfs/dbraw/zinc/03/16/40/175031640.db2.gz CVLFGJCFXCUQFB-GHMZBOCLSA-N 1 0 262.275 2.309 10 0 CEAERO Cc1ncsc1CCO[C@H]([C@@H](C)[NH3+])C(F)(F)F ZINC000043384369 175031798 /nfs/dbraw/zinc/03/17/98/175031798.db2.gz HTNWKZQXSINZSY-HZGVNTEJSA-N 1 0 268.304 2.289 10 0 CEAERO C[C@@H]([NH3+])[C@@H](Sc1nnc2n1CCCCC2)C(F)(F)F ZINC000043385765 175032181 /nfs/dbraw/zinc/03/21/81/175032181.db2.gz NKJOHQXVKNOPHK-VXNVDRBHSA-N 1 0 294.346 2.375 10 0 CEAERO OC[C@@H]([NH2+]C[C@H]1CCCO1)c1ccc(Cl)c(F)c1 ZINC000043391483 175034106 /nfs/dbraw/zinc/03/41/06/175034106.db2.gz WHDJQHYGRHGBTG-ZWNOBZJWSA-N 1 0 273.735 2.281 10 0 CEAERO CC[C@H]1COCCN1[C@@H](C[NH3+])c1cc(C)cc(C)c1 ZINC000043394196 175034804 /nfs/dbraw/zinc/03/48/04/175034804.db2.gz YOAANWQHGWGEGJ-HOTGVXAUSA-N 1 0 262.397 2.414 10 0 CEAERO CCC(CC)N(CCOC)c1nc(C)ccc1C[NH3+] ZINC000043396018 175035487 /nfs/dbraw/zinc/03/54/87/175035487.db2.gz WWWJLSWJHWJPML-UHFFFAOYSA-N 1 0 265.401 2.490 10 0 CEAERO C[NH2+]Cc1c(C)nn(Cc2ccccc2OC)c1C ZINC000043457545 175050200 /nfs/dbraw/zinc/05/02/00/175050200.db2.gz AYUYHCIEECNEEZ-UHFFFAOYSA-N 1 0 259.353 2.276 10 0 CEAERO C[NH2+]CCC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000043604038 175077773 /nfs/dbraw/zinc/07/77/73/175077773.db2.gz OOTRYEWBAZMCAZ-GFCCVEGCSA-N 1 0 260.381 2.352 10 0 CEAERO C[NH2+][C@H](c1ccccc1)[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000043811260 175109993 /nfs/dbraw/zinc/10/99/93/175109993.db2.gz BKMPRFHLEBSDRZ-FQLMCAECSA-N 1 0 262.397 2.445 10 0 CEAERO CCCCN(C)[C@@H]1CC2(CC[C@@H]1[NH2+]CCC)OCCO2 ZINC000043817141 175112390 /nfs/dbraw/zinc/11/23/90/175112390.db2.gz RKOJYNNOUPAUPX-LSDHHAIUSA-N 1 0 284.444 2.382 10 0 CEAERO C[NH2+][C@H]1CCCCC[C@H]1N(C)CCc1ccccn1 ZINC000043818702 175113980 /nfs/dbraw/zinc/11/39/80/175113980.db2.gz FKBOHABKRFVSIG-JKSUJKDBSA-N 1 0 261.413 2.477 10 0 CEAERO CCC[NH2+][C@H]1CCC2(C[C@@H]1N(C)[C@@H](C)CC)OCCO2 ZINC000043887772 175117480 /nfs/dbraw/zinc/11/74/80/175117480.db2.gz XSWPFCQTSMKOLD-KKUMJFAQSA-N 1 0 284.444 2.381 10 0 CEAERO C[NH2+][C@@H](CN1CCC(OC)CC1)c1ccccc1OC ZINC000043889924 175117655 /nfs/dbraw/zinc/11/76/55/175117655.db2.gz PLYIPCAXFMJNDP-HNNXBMFYSA-N 1 0 278.396 2.067 10 0 CEAERO CC[NH2+][C@@H](CN1CCC(OC)CC1)c1ccccc1 ZINC000043890135 175117802 /nfs/dbraw/zinc/11/78/02/175117802.db2.gz OAUPNEQVHXGAQV-INIZCTEOSA-N 1 0 262.397 2.448 10 0 CEAERO CCOc1ccc([C@@H](CN2CCOC[C@@H]2C)[NH2+]C)cc1 ZINC000043891111 175117975 /nfs/dbraw/zinc/11/79/75/175117975.db2.gz MXUPIUCROVFQIJ-XJKSGUPXSA-N 1 0 278.396 2.067 10 0 CEAERO CCC[NH2+][C@@H]1CCOC[C@H]1N(CC)C1CCCC1 ZINC000043890909 175118011 /nfs/dbraw/zinc/11/80/11/175118011.db2.gz BDXARPUKCXZVIC-HUUCEWRRSA-N 1 0 254.418 2.408 10 0 CEAERO C[NH2+][C@H]1c2ccccc2C[C@H]1N(C)Cc1ccccn1 ZINC000043894311 175119574 /nfs/dbraw/zinc/11/95/74/175119574.db2.gz DHXYXHMQQUWLPJ-SJORKVTESA-N 1 0 267.376 2.399 10 0 CEAERO CCC[NH2+][C@@H]1CCC[C@@H]1N(C)CCc1ccncc1 ZINC000043902244 175122664 /nfs/dbraw/zinc/12/26/64/175122664.db2.gz XPCRQQGDSMQNHV-CVEARBPZSA-N 1 0 261.413 2.477 10 0 CEAERO C[NH2+][C@H](CN1CCOCC1(C)C)c1ccc(OC)cc1 ZINC000043916686 175125781 /nfs/dbraw/zinc/12/57/81/175125781.db2.gz QGLOTQROTCYPMG-OAHLLOKOSA-N 1 0 278.396 2.067 10 0 CEAERO C[NH2+][C@H](CN(C)C[C@@H]1CCCCO1)c1ccc(OC)cc1 ZINC000043966413 175127955 /nfs/dbraw/zinc/12/79/55/175127955.db2.gz DFWUIUQFSPBHFS-DLBZAZTESA-N 1 0 292.423 2.457 10 0 CEAERO CCC[NH2+][C@H]1CCOC[C@H]1N(CCC)CC1CC1 ZINC000043967502 175128267 /nfs/dbraw/zinc/12/82/67/175128267.db2.gz MAMUOBUECJCCQP-LSDHHAIUSA-N 1 0 254.418 2.266 10 0 CEAERO CC[NH2+][C@@H](CN(C)[C@@H](C)COC)c1ccc2c(c1)OCO2 ZINC000043969215 175130695 /nfs/dbraw/zinc/13/06/95/175130695.db2.gz YWNATQJCDWWEIM-JSGCOSHPSA-N 1 0 294.395 2.033 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2C[C@@H]1N(C)[C@@H](C)COC ZINC000043969210 175130766 /nfs/dbraw/zinc/13/07/66/175130766.db2.gz JKZLXCIQUOBBJL-RCBQFDQVSA-N 1 0 262.397 2.229 10 0 CEAERO C[NH2+][C@H](c1ccc(OC)cc1)[C@H](C)N(CCOC)C1CC1 ZINC000043969737 175131274 /nfs/dbraw/zinc/13/12/74/175131274.db2.gz XLSKOIKUTDUIIJ-GUYCJALGSA-N 1 0 292.423 2.455 10 0 CEAERO CCCc1ccc([C@@H](O)C[NH+](CCOC)CCOC)cc1 ZINC000044177061 175149744 /nfs/dbraw/zinc/14/97/44/175149744.db2.gz SMVHXPHJXXYOJJ-KRWDZBQOSA-N 1 0 295.423 2.267 10 0 CEAERO CCOC(=O)CC[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000044299241 175161404 /nfs/dbraw/zinc/16/14/04/175161404.db2.gz BIAKIJACKKYZKW-NSHDSACASA-N 1 0 279.336 2.062 10 0 CEAERO CC[C@H]1CCCN1C(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000044427010 175175389 /nfs/dbraw/zinc/17/53/89/175175389.db2.gz NNQSJDBXEAMWQA-ZFWWWQNUSA-N 1 0 258.365 2.274 10 0 CEAERO Brc1ccc(NCC2CC[NH2+]CC2)nc1 ZINC000044509232 175187044 /nfs/dbraw/zinc/18/70/44/175187044.db2.gz RKKOFECGWLBIFW-UHFFFAOYSA-N 1 0 270.174 2.256 10 0 CEAERO CN(C(=O)COc1ccc2c(c1)CCC[C@@H]2[NH3+])C1CC1 ZINC000044732343 175240821 /nfs/dbraw/zinc/24/08/21/175240821.db2.gz WVZYZFMBCGHCIU-HNNXBMFYSA-N 1 0 274.364 2.022 10 0 CEAERO CCCCNC(=O)COc1ccc2c(c1)CCC[C@H]2[NH3+] ZINC000044732614 175241164 /nfs/dbraw/zinc/24/11/64/175241164.db2.gz GOQAZJJHUJSEIM-OAHLLOKOSA-N 1 0 276.380 2.318 10 0 CEAERO CC(C)NC(=O)[C@@H](C)Oc1ccc2c(c1)CCC[C@H]2[NH3+] ZINC000044744921 175241527 /nfs/dbraw/zinc/24/15/27/175241527.db2.gz COYYORKKGONDQG-IAQYHMDHSA-N 1 0 276.380 2.315 10 0 CEAERO CCNC(=O)COc1ccc2c(c1)CCC[C@H]2[NH2+]CC ZINC000044745627 175241884 /nfs/dbraw/zinc/24/18/84/175241884.db2.gz FAKJLFVVJUYXCQ-OAHLLOKOSA-N 1 0 276.380 2.188 10 0 CEAERO CCN(Cc1ccco1)C(=O)C1(C[NH3+])CCCC1 ZINC000044763269 175247076 /nfs/dbraw/zinc/24/70/76/175247076.db2.gz ZBTBHOJKEGWSAT-UHFFFAOYSA-N 1 0 250.342 2.147 10 0 CEAERO [NH3+]CC1(C(=O)N2C[C@@H]3CC[C@H]2C3)CCCCCC1 ZINC000044763913 175247890 /nfs/dbraw/zinc/24/78/90/175247890.db2.gz WFKSAGOTZAHITN-OLZOCXBDSA-N 1 0 250.386 2.297 10 0 CEAERO C[NH+](C)C(C)(C)CNC(=O)C1(C(N)=S)CCCCCC1 ZINC000044782576 175253848 /nfs/dbraw/zinc/25/38/48/175253848.db2.gz IHKXGLFZLGSSDL-UHFFFAOYSA-N 1 0 299.484 2.070 10 0 CEAERO Cc1cccc(NC(=O)[C@@H](C[NH3+])Cc2ccccc2)n1 ZINC000044799246 175255124 /nfs/dbraw/zinc/25/51/24/175255124.db2.gz HKSRTYOZKBEVNU-CQSZACIVSA-N 1 0 269.348 2.146 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)N1CCC(OC)CC1 ZINC000044800927 175255561 /nfs/dbraw/zinc/25/55/61/175255561.db2.gz IBCSKJQBGIQYQI-UHFFFAOYSA-N 1 0 270.417 2.169 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000044802484 175256253 /nfs/dbraw/zinc/25/62/53/175256253.db2.gz UWNBRSKWFRRVEX-BFHYXJOUSA-N 1 0 252.402 2.400 10 0 CEAERO CC(C)[C@@H](C[NH3+])C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000044806220 175256456 /nfs/dbraw/zinc/25/64/56/175256456.db2.gz XMYSORSRDFGMIT-GXFFZTMASA-N 1 0 252.333 2.234 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)Nc1ccc(OC)c(C)c1 ZINC000044806385 175256469 /nfs/dbraw/zinc/25/64/69/175256469.db2.gz ZHLDQQBFCIGAJT-NSHDSACASA-N 1 0 250.342 2.317 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)Nc1cccc(OCC)c1 ZINC000044806627 175256541 /nfs/dbraw/zinc/25/65/41/175256541.db2.gz VLOORIVIBKYOGB-LLVKDONJSA-N 1 0 250.342 2.399 10 0 CEAERO Cc1cc([C@H](C)NC(=O)[C@H](C[NH3+])C(C)C)c(C)o1 ZINC000044808558 175257490 /nfs/dbraw/zinc/25/74/90/175257490.db2.gz ZTZGWMMJUXXZRB-GXFFZTMASA-N 1 0 252.358 2.305 10 0 CEAERO CCN(C(=O)[C@@H]([NH3+])CCSC)c1cccc(F)c1 ZINC000044880604 175269396 /nfs/dbraw/zinc/26/93/96/175269396.db2.gz CEISCDZCWVKRPP-LBPRGKRZSA-N 1 0 270.373 2.259 10 0 CEAERO CCN(c1cccc(F)c1)[C@H](C[NH3+])[C@@H]1CCOC1 ZINC000044885495 175270583 /nfs/dbraw/zinc/27/05/83/175270583.db2.gz DPSYUZHZSKEPAL-BXUZGUMPSA-N 1 0 252.333 2.016 10 0 CEAERO C[C@H]([NH3+])c1ccc(NC(=O)NC[C@H]2CCCOC2)cc1 ZINC000044981680 175283511 /nfs/dbraw/zinc/28/35/11/175283511.db2.gz RWLIWQFOOPJTME-NWDGAFQWSA-N 1 0 277.368 2.254 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)NC[C@@H]1CCCOC1 ZINC000044982562 175283577 /nfs/dbraw/zinc/28/35/77/175283577.db2.gz IFICAMLSLUCVMH-ZDUSSCGKSA-N 1 0 270.417 2.075 10 0 CEAERO Cc1cc(C)c(C(N)=S)c(NC[C@H]2CCCOC2)[nH+]1 ZINC000044984261 175284101 /nfs/dbraw/zinc/28/41/01/175284101.db2.gz BQENJTMBAWKXQG-LLVKDONJSA-N 1 0 279.409 2.171 10 0 CEAERO CC[NH2+][C@H]1CCN(CC2CCC(CC)CC2)C1=O ZINC000044995026 175287413 /nfs/dbraw/zinc/28/74/13/175287413.db2.gz KDBVNSMRXOESMC-RUXDESIVSA-N 1 0 252.402 2.413 10 0 CEAERO COCC[C@](C)(C[NH3+])N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000045043325 175294911 /nfs/dbraw/zinc/29/49/11/175294911.db2.gz BNGWUFNAIVHBBN-RRFJBIMHSA-N 1 0 254.418 2.252 10 0 CEAERO C[C@@H]([NH2+]CCCS(N)(=O)=O)c1ccc(C(C)(C)C)cc1 ZINC000045066853 175300362 /nfs/dbraw/zinc/30/03/62/175300362.db2.gz CYOBXDPVRDJOBJ-GFCCVEGCSA-N 1 0 298.452 2.313 10 0 CEAERO C[N@H+](C[C@H](N)c1ccc2c(c1)OCCO2)CC(C)(C)C ZINC000045072677 175301922 /nfs/dbraw/zinc/30/19/22/175301922.db2.gz JOHTZRXYLFZSST-ZDUSSCGKSA-N 1 0 278.396 2.436 10 0 CEAERO O=C([C@H]1CCCC[NH2+]1)N1CCC[C@H]1C1CCCC1 ZINC000045088281 175304158 /nfs/dbraw/zinc/30/41/58/175304158.db2.gz RIDPXMVTWJXVAR-KGLIPLIRSA-N 1 0 250.386 2.310 10 0 CEAERO CO[C@H]1C[NH2+][C@H](CN2CCC[C@@H]2C2CCCC2)C1 ZINC000045089772 175304800 /nfs/dbraw/zinc/30/48/00/175304800.db2.gz RLPABYQAXXWJLH-RRFJBIMHSA-N 1 0 252.402 2.018 10 0 CEAERO C[NH2+]Cc1ccc(S(=O)(=O)N(C)CC(C)(C)C)cc1 ZINC000045090081 175305440 /nfs/dbraw/zinc/30/54/40/175305440.db2.gz LKDSFJQEQYGVBM-UHFFFAOYSA-N 1 0 284.425 2.073 10 0 CEAERO C[C@H](CNc1ccc(N)c(OC(C)(C)C)n1)[NH+](C)C ZINC000045105929 175307279 /nfs/dbraw/zinc/30/72/79/175307279.db2.gz CIWIZOMJGSJILG-SNVBAGLBSA-N 1 0 266.389 2.203 10 0 CEAERO C[C@H](Cn1c(N)nc2cc(Br)ccc21)[NH+](C)C ZINC000045108626 175308638 /nfs/dbraw/zinc/30/86/38/175308638.db2.gz WEDQQVXPCLGKLJ-MRVPVSSYSA-N 1 0 297.200 2.331 10 0 CEAERO C[C@@H](CN1C(=S)N=NC1c1cccs1)[NH+](C)C ZINC000045108452 175308930 /nfs/dbraw/zinc/30/89/30/175308930.db2.gz NKLTUSPQKCFMMX-QMMMGPOBSA-N 1 0 268.411 2.245 10 0 CEAERO CC[C@@H]([NH3+])c1cccc(S(=O)(=O)N[C@H]2CC2(C)C)c1 ZINC000045138173 175314451 /nfs/dbraw/zinc/31/44/51/175314451.db2.gz BNBPGHXBRXHKGO-OLZOCXBDSA-N 1 0 282.409 2.173 10 0 CEAERO CCN1CCC[C@@H]1C[NH2+][C@@H](C)c1c(C)nn(C)c1C ZINC000045167700 175319374 /nfs/dbraw/zinc/31/93/74/175319374.db2.gz FTDAZXWCZHIUAN-SMDDNHRTSA-N 1 0 264.417 2.172 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)NC[C@@H](C(C)C)[NH+](C)C ZINC000045168593 175320124 /nfs/dbraw/zinc/32/01/24/175320124.db2.gz PQNKYVJELFKJTK-RISCZKNCSA-N 1 0 266.433 2.274 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)N[C@@H](C)CC[NH+](C)C ZINC000045172568 175321436 /nfs/dbraw/zinc/32/14/36/175321436.db2.gz MAEXBJMECXHDKF-WDEREUQCSA-N 1 0 252.406 2.028 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@@H](C)N(C)C)c1C ZINC000045172006 175321583 /nfs/dbraw/zinc/32/15/83/175321583.db2.gz CYBFPEIHKDCHIC-MNOVXSKESA-N 1 0 252.406 2.121 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+][C@H]2CCN(C3CC3)C2)c1C ZINC000045172780 175322473 /nfs/dbraw/zinc/32/24/73/175322473.db2.gz QJLGGUQMFLZATF-RISCZKNCSA-N 1 0 276.428 2.407 10 0 CEAERO CCCC[N@H+](C)C[C@](NC(C)C)(C(N)=O)c1ccccc1 ZINC000045221946 175330738 /nfs/dbraw/zinc/33/07/38/175330738.db2.gz MDVBTMFVPKRKRS-QGZVFWFLSA-N 1 0 291.439 2.097 10 0 CEAERO CCN[C@@](C)(C[NH+]1CCCCCCC1)C(=O)OCC ZINC000045223667 175331211 /nfs/dbraw/zinc/33/12/11/175331211.db2.gz GQECBSBJQKNTOP-HNNXBMFYSA-N 1 0 270.417 2.184 10 0 CEAERO CCOC(=O)[C@@](C)(CC[NH+]1CCCCCCC1)NC ZINC000045223756 175331303 /nfs/dbraw/zinc/33/13/03/175331303.db2.gz FTHDJJFBTRGTRX-OAHLLOKOSA-N 1 0 270.417 2.184 10 0 CEAERO CCCC[N@H+](CC)C[C@](C)(NC(C)C)C(=O)OC ZINC000045223311 175331478 /nfs/dbraw/zinc/33/14/78/175331478.db2.gz OKQBYWKWQXBZSW-AWEZNQCLSA-N 1 0 258.406 2.038 10 0 CEAERO CCCN[C@](C)(CC[N@H+](CC)C1CCCCC1)C(N)=O ZINC000045224162 175331950 /nfs/dbraw/zinc/33/19/50/175331950.db2.gz HDMYKAAPRYKBRP-MRXNPFEDSA-N 1 0 283.460 2.275 10 0 CEAERO CCOC(=O)[C@@](C)(C[N@@H+]1CCCC[C@@H]1C)NC(C)C ZINC000045226991 175333279 /nfs/dbraw/zinc/33/32/79/175333279.db2.gz WHWQXQIFYVJKQY-DZGCQCFKSA-N 1 0 270.417 2.181 10 0 CEAERO CCC[NH+](CCC)C[C@@](C)(NCC)C(=O)OCC ZINC000045230319 175334348 /nfs/dbraw/zinc/33/43/48/175334348.db2.gz HQDZZTKLQRQTAY-CQSZACIVSA-N 1 0 258.406 2.040 10 0 CEAERO CCOC(=O)[C@](C)(C[NH+]1CCCCCC1)NC(C)C ZINC000045228803 175334377 /nfs/dbraw/zinc/33/43/77/175334377.db2.gz QRUOKHBYASHFIN-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CCC[NH+](CCC)CC[C@](C)(NCC)C(=O)OC ZINC000045230470 175334644 /nfs/dbraw/zinc/33/46/44/175334644.db2.gz PYDDYOXJOBMMHV-AWEZNQCLSA-N 1 0 258.406 2.040 10 0 CEAERO CCCN[C@](C)(C[N@H+](C)C1CCCCC1)C(=O)OC ZINC000045231163 175334817 /nfs/dbraw/zinc/33/48/17/175334817.db2.gz DUEIYFRESRYTFO-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CCOC(=O)[C@](C)(C[N@H+](C)C1CCCCC1)NC1CC1 ZINC000045231202 175335127 /nfs/dbraw/zinc/33/51/27/175335127.db2.gz LTYVPMUODYQIGF-INIZCTEOSA-N 1 0 282.428 2.325 10 0 CEAERO CCCN[C@@](C)(C[NH+](CCC)CCC)C(=O)OC ZINC000045230329 175335234 /nfs/dbraw/zinc/33/52/34/175335234.db2.gz BBYMHIRFNSAOPW-AWEZNQCLSA-N 1 0 258.406 2.040 10 0 CEAERO CCCN[C@](C[NH+](C)C)(C(=O)OCC)c1ccccc1 ZINC000045232254 175336086 /nfs/dbraw/zinc/33/60/86/175336086.db2.gz PBCKBJUFIUVPLY-INIZCTEOSA-N 1 0 278.396 2.006 10 0 CEAERO CCCC[NH+](CCCC)C[C@@](C)(NCCC)C(N)=O ZINC000045232725 175336221 /nfs/dbraw/zinc/33/62/21/175336221.db2.gz NATOLHUCTFVNDL-OAHLLOKOSA-N 1 0 271.449 2.132 10 0 CEAERO CCC[NH2+][C@@](C)(CN1CCCC[C@@H]1CC)C(=O)[O-] ZINC000045265775 175338525 /nfs/dbraw/zinc/33/85/25/175338525.db2.gz OSQQXZCQWXQVDU-JSGCOSHPSA-N 1 0 256.390 2.094 10 0 CEAERO CCCCC[N@H+](C)C[C@@](C)(NCCC)C(=O)OCC ZINC000045268151 175340367 /nfs/dbraw/zinc/34/03/67/175340367.db2.gz ZPGWIZACOBWUPF-OAHLLOKOSA-N 1 0 272.433 2.430 10 0 CEAERO CCCCC[N@H+](C)CC[C@@](C)(NC1CC1)C(=O)OC ZINC000045268277 175340735 /nfs/dbraw/zinc/34/07/35/175340735.db2.gz UDNYOFCVMMKYEM-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CCOC(=O)[C@@](C)(CC[N@H+](C)[C@@H](C)C1CC1)NC1CC1 ZINC000045270372 175341379 /nfs/dbraw/zinc/34/13/79/175341379.db2.gz NONGMLZQRQARAB-BLLLJJGKSA-N 1 0 282.428 2.181 10 0 CEAERO CCOC(=O)[C@](C)(CC[N@H+](C)[C@@H](C)C1CC1)NC1CC1 ZINC000045270375 175341610 /nfs/dbraw/zinc/34/16/10/175341610.db2.gz NONGMLZQRQARAB-LRDDRELGSA-N 1 0 282.428 2.181 10 0 CEAERO CCCN[C@@](C)(CC[N@H+](CC(C)C)C1CC1)C(=O)OC ZINC000045277565 175347429 /nfs/dbraw/zinc/34/74/29/175347429.db2.gz BIVCKAJNTOCGHR-INIZCTEOSA-N 1 0 284.444 2.428 10 0 CEAERO CC(C)[NH2+][C@@](C)(CC[N@H+](C)CC(C)(C)C)C(=O)[O-] ZINC000045279363 175349564 /nfs/dbraw/zinc/34/95/64/175349564.db2.gz ZMTRKGVJUSGLDT-AWEZNQCLSA-N 1 0 258.406 2.196 10 0 CEAERO CCCN[C@@](C)(CC[N@H+](C)C1CCC(C)CC1)C(N)=O ZINC000045280618 175350066 /nfs/dbraw/zinc/35/00/66/175350066.db2.gz MVQLTBZTRXEOIF-XUJLQICISA-N 1 0 283.460 2.131 10 0 CEAERO CCOC(=O)[C@](C)(CC[N@H+](CC1CC1)C(C)C)NC ZINC000045281033 175351355 /nfs/dbraw/zinc/35/13/55/175351355.db2.gz VKILIPQFGHDNJM-HNNXBMFYSA-N 1 0 270.417 2.038 10 0 CEAERO CCOC(=O)[C@@](C)(C[NH+]1CCC(CC)CC1)NC1CC1 ZINC000045281406 175351951 /nfs/dbraw/zinc/35/19/51/175351951.db2.gz ZLARQZNGBHHJEG-MRXNPFEDSA-N 1 0 282.428 2.182 10 0 CEAERO CCC1CC[NH+](CC[C@](C)([NH2+]C2CC2)C(=O)[O-])CC1 ZINC000045281424 175352196 /nfs/dbraw/zinc/35/21/96/175352196.db2.gz BJDPEVNOIGRFBP-HNNXBMFYSA-N 1 0 268.401 2.094 10 0 CEAERO CCN[C@@](C)(CC[N@H+](C)CC1CCCCC1)C(=O)OC ZINC000045281654 175352440 /nfs/dbraw/zinc/35/24/40/175352440.db2.gz BIEANDVWCBUTRQ-INIZCTEOSA-N 1 0 284.444 2.430 10 0 CEAERO CCN[C@@](C)(CC[NH+]1CCC(CC)CC1)C(=O)OCC ZINC000045281452 175352446 /nfs/dbraw/zinc/35/24/46/175352446.db2.gz HQOOVAPNCHDWGL-INIZCTEOSA-N 1 0 284.444 2.430 10 0 CEAERO CCCC[N@H+](C[C@](C)(NCC)C(=O)OC)[C@@H](C)CC ZINC000045282544 175352636 /nfs/dbraw/zinc/35/26/36/175352636.db2.gz RSKJKQSNWIXLOQ-ZFWWWQNUSA-N 1 0 272.433 2.428 10 0 CEAERO CCCC[N@H+](CC)C[C@H](NCCC)C(=O)OCC ZINC000045370299 175363974 /nfs/dbraw/zinc/36/39/74/175363974.db2.gz SOEZDCJWQDKJLW-ZDUSSCGKSA-N 1 0 258.406 2.040 10 0 CEAERO C[NH2+][C@@](C)(CCC[NH+]1CCCCCCC1)C(=O)[O-] ZINC000045371488 175364535 /nfs/dbraw/zinc/36/45/35/175364535.db2.gz CMTDGSCVFYYHIE-AWEZNQCLSA-N 1 0 256.390 2.095 10 0 CEAERO CCOC(=O)[C@](C)([NH3+])CCCN(C)c1ccccc1 ZINC000045376603 175366898 /nfs/dbraw/zinc/36/68/98/175366898.db2.gz AHUWDEGTGCEURM-OAHLLOKOSA-N 1 0 264.369 2.184 10 0 CEAERO COC(=O)[C@](C)(CCC[NH+]1CCCCCC1)NC1CC1 ZINC000045377563 175367480 /nfs/dbraw/zinc/36/74/80/175367480.db2.gz LWTYDTDADVTCKV-INIZCTEOSA-N 1 0 282.428 2.326 10 0 CEAERO CCC[NH+](CCC)CCC[C@](C)(NCC)C(=O)OC ZINC000045378609 175367793 /nfs/dbraw/zinc/36/77/93/175367793.db2.gz YVMHVDVHHNELGA-HNNXBMFYSA-N 1 0 272.433 2.430 10 0 CEAERO CCCC[NH+](CCCC)CCC[C@@](C)([NH3+])C(=O)[O-] ZINC000045380461 175369038 /nfs/dbraw/zinc/36/90/38/175369038.db2.gz IUPGFHSYARFOCH-CQSZACIVSA-N 1 0 258.406 2.471 10 0 CEAERO CN[C@@](C)(CCC[NH+]1[C@@H](C)CCC[C@@H]1C)C(=O)OC ZINC000045379696 175369502 /nfs/dbraw/zinc/36/95/02/175369502.db2.gz RRQFHIUUKDKFQG-YDHLFZDLSA-N 1 0 270.417 2.181 10 0 CEAERO CCOC(=O)[C@@](C)(CCCC[N@H+](C)CC)NC(C)C ZINC000045382753 175371442 /nfs/dbraw/zinc/37/14/42/175371442.db2.gz UBOQWWYJUVVCTD-OAHLLOKOSA-N 1 0 272.433 2.428 10 0 CEAERO CCC[NH2+][C@](C)(CCCC[N@H+](CC)C1CC1)C(=O)[O-] ZINC000045386302 175372365 /nfs/dbraw/zinc/37/23/65/175372365.db2.gz IIWRVKIMNXWDBH-OAHLLOKOSA-N 1 0 270.417 2.484 10 0 CEAERO CCOC(=O)[C@](C)(CCC[N@H+](CC)C1CC1)NC1CC1 ZINC000045386617 175372599 /nfs/dbraw/zinc/37/25/99/175372599.db2.gz BGXMSTCENYEQCP-INIZCTEOSA-N 1 0 282.428 2.325 10 0 CEAERO CCN[C@](C)(CCCC[N@H+](CC)C1CC1)C(=O)OC ZINC000045386370 175373051 /nfs/dbraw/zinc/37/30/51/175373051.db2.gz IJJYFKWIMPIOMR-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CCC[N@H+](CC)CCC[C@@](C)(NC)C(=O)OCC ZINC000045387063 175373263 /nfs/dbraw/zinc/37/32/63/175373263.db2.gz UBWQHLNVQYRAAU-CQSZACIVSA-N 1 0 258.406 2.040 10 0 CEAERO CCC[N@H+](CC)CCCC[C@@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000045386853 175373338 /nfs/dbraw/zinc/37/33/38/175373338.db2.gz AOXCLEFBRXXTIX-OAHLLOKOSA-N 1 0 270.417 2.484 10 0 CEAERO CCC(CC)[N@H+](C)CCCC[C@](C)(NC)C(=O)OC ZINC000045391414 175374530 /nfs/dbraw/zinc/37/45/30/175374530.db2.gz OVNOVQSWVZNVBN-HNNXBMFYSA-N 1 0 272.433 2.428 10 0 CEAERO CCC(CC)[N@H+](C)CCC[C@](C)(NC)C(=O)OC ZINC000045391574 175374882 /nfs/dbraw/zinc/37/48/82/175374882.db2.gz RRWSXNZSSQGSFE-AWEZNQCLSA-N 1 0 258.406 2.038 10 0 CEAERO CCCN[C@@H](C[N@H+](CC)C1CCCC1)C(=O)OCC ZINC000045390345 175374984 /nfs/dbraw/zinc/37/49/84/175374984.db2.gz BTHNYECNMLVRAW-AWEZNQCLSA-N 1 0 270.417 2.182 10 0 CEAERO CCCc1cc(N2CCC[NH2+]CC2)nc(C(C)C)n1 ZINC000045951076 175388324 /nfs/dbraw/zinc/38/83/24/175388324.db2.gz QLZXSCUHEMJSCB-UHFFFAOYSA-N 1 0 262.401 2.352 10 0 CEAERO CC[C@@H](NC(=O)C1CC[NH2+]CC1)c1cccs1 ZINC000049532082 175486324 /nfs/dbraw/zinc/48/63/24/175486324.db2.gz VMAQZNKQTGMGSC-LLVKDONJSA-N 1 0 252.383 2.315 10 0 CEAERO COc1ccc([C@@H](C)[NH2+]C2CC(CO)C2)cc1F ZINC000658352492 415332847 /nfs/dbraw/zinc/33/28/47/415332847.db2.gz XNNDLTDYDHEVOE-GRZMOONWSA-N 1 0 253.317 2.256 10 0 CEAERO CC(C)CO[C@@H]1C[C@H]([NH2+]C2CC(CO)C2)C1(C)C ZINC000658357425 415336792 /nfs/dbraw/zinc/33/67/92/415336792.db2.gz UUTFFRMIHKTLQH-CLRIEMFWSA-N 1 0 255.402 2.187 10 0 CEAERO CCC[C@]1(C(=O)NCc2ccc(OC)cc2)CC[NH2+]C1 ZINC000062888355 175676687 /nfs/dbraw/zinc/67/66/87/175676687.db2.gz QYASPPDQRRIMQU-INIZCTEOSA-N 1 0 276.380 2.091 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)C1CCC2(CC2)CC1 ZINC000659294338 415494318 /nfs/dbraw/zinc/49/43/18/415494318.db2.gz ZJBGYMAIDYYKKP-CHWSQXEVSA-N 1 0 250.386 2.200 10 0 CEAERO CO[C@H](CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)C1CCCCC1 ZINC000659385140 415555245 /nfs/dbraw/zinc/55/52/45/415555245.db2.gz VIXZCPOAEIZKLL-QLFBSQMISA-N 1 0 282.428 2.215 10 0 CEAERO CCS(=O)(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000070242691 175883863 /nfs/dbraw/zinc/88/38/63/175883863.db2.gz DZCZQGIQESSQMP-UHFFFAOYSA-N 1 0 268.382 2.044 10 0 CEAERO CC1(C)C[C@]([NH2+]C2CCCCCC2)(C(N)=O)CCO1 ZINC000070367879 175898028 /nfs/dbraw/zinc/89/80/28/175898028.db2.gz LSKOXBZWURDFKB-HNNXBMFYSA-N 1 0 268.401 2.112 10 0 CEAERO CC(=O)NCC[NH2+]Cc1[nH]c2ccccc2c1Cl ZINC000070374564 175899338 /nfs/dbraw/zinc/89/93/38/175899338.db2.gz LDEOPRIORUNBEW-UHFFFAOYSA-N 1 0 265.744 2.047 10 0 CEAERO [NH3+][C@@H](c1ccc2c(c1)CC(=O)N2)[C@@H]1COc2ccccc21 ZINC000070389988 175906641 /nfs/dbraw/zinc/90/66/41/175906641.db2.gz RUCCSLDVTBUZBD-DYVFJYSZSA-N 1 0 280.327 2.357 10 0 CEAERO C[NH2+][C@H](CCOc1ccccc1)Cc1cccnc1N ZINC000070406968 175913239 /nfs/dbraw/zinc/91/32/39/175913239.db2.gz IVKIWOOWALFGGY-CQSZACIVSA-N 1 0 271.364 2.263 10 0 CEAERO CCC[NH2+][C@@H](Cc1cccnc1N)C[C@H]1CCCO1 ZINC000070407159 175913375 /nfs/dbraw/zinc/91/33/75/175913375.db2.gz ZWUQIXFYRGNFDE-UONOGXRCSA-N 1 0 263.385 2.144 10 0 CEAERO COCCOCC[C@@H]([NH3+])Cc1ccccc1Cl ZINC000070482292 175953226 /nfs/dbraw/zinc/95/32/26/175953226.db2.gz JULCCKLLIXOKEY-GFCCVEGCSA-N 1 0 257.761 2.263 10 0 CEAERO C[C@@]1(c2cccc(Br)c2)C[C@]1(C[NH3+])CO ZINC000070500649 175958749 /nfs/dbraw/zinc/95/87/49/175958749.db2.gz BTFAFEMQUYGGGX-RYUDHWBXSA-N 1 0 270.170 2.048 10 0 CEAERO CC[NH2+][C@](C)(CCC[NH+](CC1CC1)CC1CC1)C(=O)[O-] ZINC000070506727 175959118 /nfs/dbraw/zinc/95/91/18/175959118.db2.gz LPWWPUSHQFMCRD-MRXNPFEDSA-N 1 0 282.428 2.341 10 0 CEAERO CC[NH2+][C@@](CO)(COc1ccccc1OCC)C1CC1 ZINC000070518353 175966110 /nfs/dbraw/zinc/96/61/10/175966110.db2.gz BXRROYKMSWUXNE-INIZCTEOSA-N 1 0 279.380 2.215 10 0 CEAERO C[C@@H](C[C@](C)(O)C[NH3+])Oc1c(F)c(F)c(F)c(F)c1F ZINC000070522060 175967740 /nfs/dbraw/zinc/96/77/40/175967740.db2.gz WVUZEOSVADWGQB-UJOLQPBBSA-N 1 0 299.239 2.249 10 0 CEAERO CC[C@@]1(C(=O)N[C@H]2COc3ccccc32)CCC[NH2+]C1 ZINC000070530502 175972991 /nfs/dbraw/zinc/97/29/91/175972991.db2.gz UMMTZJYCXOBHCM-XJKSGUPXSA-N 1 0 274.364 2.016 10 0 CEAERO C[C@H]1CCC[C@H](CCNC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000070540077 175976651 /nfs/dbraw/zinc/97/66/51/175976651.db2.gz NIKSIAGQVJKBMW-MJBXVCDLSA-N 1 0 252.402 2.461 10 0 CEAERO [NH3+]CCc1ccccc1C(=O)N1Cc2ccccc2C1 ZINC000070552917 175981944 /nfs/dbraw/zinc/98/19/44/175981944.db2.gz SPEKDWIIDXUUAS-UHFFFAOYSA-N 1 0 266.344 2.344 10 0 CEAERO [NH3+][C@H]1CCC[C@H](C(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000070575631 175990944 /nfs/dbraw/zinc/99/09/44/175990944.db2.gz PUTBJTCBVQUENW-DCAQKATOSA-N 1 0 278.318 2.305 10 0 CEAERO COCC[NH2+]C[C@@H](C)Sc1ccc(Cl)cn1 ZINC000070616102 175997599 /nfs/dbraw/zinc/99/75/99/175997599.db2.gz DIQNUGCDPJEMHD-SECBINFHSA-N 1 0 260.790 2.452 10 0 CEAERO C[C@@H]([NH3+])c1csc(N2C[C@H](C)S[C@@H](C)C2)n1 ZINC000070846606 176008661 /nfs/dbraw/zinc/00/86/61/176008661.db2.gz JEOLQBSKPPSWSR-XHNCKOQMSA-N 1 0 257.428 2.493 10 0 CEAERO C[NH2+][C@H](C)c1csc(N2CCCSCC2)n1 ZINC000070846158 176008945 /nfs/dbraw/zinc/00/89/45/176008945.db2.gz DXTYSVPVCDDSBP-SECBINFHSA-N 1 0 257.428 2.367 10 0 CEAERO CCN(c1ncccc1Br)[C@H]1CC[NH2+]C1 ZINC000070901175 176011235 /nfs/dbraw/zinc/01/12/35/176011235.db2.gz FILCRTUTEUKUGL-VIFPVBQESA-N 1 0 270.174 2.032 10 0 CEAERO COc1ccccc1NC(=O)N(CC[NH3+])C1CCCC1 ZINC000070943744 176016712 /nfs/dbraw/zinc/01/67/12/176016712.db2.gz QWUDWWWSNHBOEL-UHFFFAOYSA-N 1 0 277.368 2.430 10 0 CEAERO [NH3+]CCN(C(=O)Cc1ccccc1F)C1CCCC1 ZINC000070943687 176016817 /nfs/dbraw/zinc/01/68/17/176016817.db2.gz FNICNQGQAFAZEE-UHFFFAOYSA-N 1 0 264.344 2.098 10 0 CEAERO Cc1cc([C@H]2[C@H]([NH3+])CCC(=O)N2C2CC2)ccc1F ZINC000070987440 176018678 /nfs/dbraw/zinc/01/86/78/176018678.db2.gz JGJHLRYMKDCCFI-HIFRSBDPSA-N 1 0 262.328 2.287 10 0 CEAERO Nc1cc(N)[nH+]c(SC[C@H]2OCCc3ccccc32)n1 ZINC000071030709 176021736 /nfs/dbraw/zinc/02/17/36/176021736.db2.gz YXHUQXRJUCDKKO-LLVKDONJSA-N 1 0 288.376 2.047 10 0 CEAERO CCC[NH2+][C@H]1CCCN(Cc2ccc(C)cc2)C1=O ZINC000071033080 176023500 /nfs/dbraw/zinc/02/35/00/176023500.db2.gz KMFMAMQKVDHBCC-HNNXBMFYSA-N 1 0 260.381 2.486 10 0 CEAERO CCC[NH2+][C@@H]1CCCN(c2ccsc2C(=O)OC)C1=O ZINC000071032489 176023694 /nfs/dbraw/zinc/02/36/94/176023694.db2.gz WRBVTHWUKDVJJU-SNVBAGLBSA-N 1 0 296.392 2.030 10 0 CEAERO CC[NH2+][C@H]1CCCN(c2nc(C(C)C)cs2)C1=O ZINC000071033803 176024455 /nfs/dbraw/zinc/02/44/55/176024455.db2.gz XBFRNOCLOFRKGO-JTQLQIEISA-N 1 0 267.398 2.371 10 0 CEAERO C[NH2+][C@H]1CCCN([C@@H](C)CCc2ccccc2)C1=O ZINC000071035103 176024671 /nfs/dbraw/zinc/02/46/71/176024671.db2.gz DCDTTZPXISRRJD-ZFWWWQNUSA-N 1 0 260.381 2.218 10 0 CEAERO CC[NH2+][C@@H]1CCCN([C@@H](C)Cc2ccsc2)C1=O ZINC000071035424 176025208 /nfs/dbraw/zinc/02/52/08/176025208.db2.gz HKXFGBXJQYDPAH-WCQYABFASA-N 1 0 266.410 2.280 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCN1c1ccc(Br)cc1 ZINC000071035502 176025313 /nfs/dbraw/zinc/02/53/13/176025313.db2.gz PKOGYELPPCIXNT-GFCCVEGCSA-N 1 0 295.180 2.306 10 0 CEAERO CC[NH2+][C@H]1CCCN([C@H](C)Cc2ccsc2)C1=O ZINC000071035428 176025370 /nfs/dbraw/zinc/02/53/70/176025370.db2.gz HKXFGBXJQYDPAH-YPMHNXCESA-N 1 0 266.410 2.280 10 0 CEAERO CCc1cccc(C)c1N1CC[C@H]([NH2+]C2CC2)C1=O ZINC000071035855 176025417 /nfs/dbraw/zinc/02/54/17/176025417.db2.gz SOIKKKGETDARPO-AWEZNQCLSA-N 1 0 258.365 2.415 10 0 CEAERO CC[NH2+][C@@H]1CCCN([C@H](C)Cc2ccsc2)C1=O ZINC000071035426 176025488 /nfs/dbraw/zinc/02/54/88/176025488.db2.gz HKXFGBXJQYDPAH-DGCLKSJQSA-N 1 0 266.410 2.280 10 0 CEAERO Cc1nc(N2CCC[C@H]([NH2+]C(C)C)C2=O)sc1C ZINC000071037177 176025855 /nfs/dbraw/zinc/02/58/55/176025855.db2.gz QFVWYWCWJGGTEH-NSHDSACASA-N 1 0 267.398 2.253 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCN1c1ccc2c(c1)CCC2 ZINC000071037841 176026361 /nfs/dbraw/zinc/02/63/61/176026361.db2.gz FISVMTQZWGVVCI-HNNXBMFYSA-N 1 0 256.349 2.033 10 0 CEAERO CCCc1ccc(N2CC[C@H]([NH2+]C3CC3)C2=O)cc1 ZINC000071039718 176027134 /nfs/dbraw/zinc/02/71/34/176027134.db2.gz XRWJCEPQBORONW-HNNXBMFYSA-N 1 0 258.365 2.496 10 0 CEAERO CCOc1cccc(CN2CC[C@H]([NH2+]C(C)C)C2=O)c1 ZINC000071041314 176028283 /nfs/dbraw/zinc/02/82/83/176028283.db2.gz PYNDBRGZUTWEAG-HNNXBMFYSA-N 1 0 276.380 2.184 10 0 CEAERO COc1ccc(N2CC[C@H]([NH2+]C(C)C)C2=O)c(C)c1 ZINC000071042608 176028397 /nfs/dbraw/zinc/02/83/97/176028397.db2.gz SGQJEZSIQJNUCM-ZDUSSCGKSA-N 1 0 262.353 2.107 10 0 CEAERO Cc1ccc(CN2CCC[C@H]([NH2+]C(C)C)C2=O)o1 ZINC000071042601 176028485 /nfs/dbraw/zinc/02/84/85/176028485.db2.gz ULVFDTCUNSIPGV-ZDUSSCGKSA-N 1 0 250.342 2.077 10 0 CEAERO CC[NH2+][C@H]1CCCN(c2cc(F)c(F)c(F)c2)C1=O ZINC000071042887 176029061 /nfs/dbraw/zinc/02/90/61/176029061.db2.gz JUUIKXPEMJYLBN-NSHDSACASA-N 1 0 272.270 2.209 10 0 CEAERO C[C@@H](Cn1ccnc1)[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000071090884 176031168 /nfs/dbraw/zinc/03/11/68/176031168.db2.gz FXXVMILERCASHJ-BBRMVZONSA-N 1 0 271.364 2.175 10 0 CEAERO COc1ccc(CN2CCC[C@@H]2C[NH2+]C2CC2)cc1 ZINC000071137969 176036234 /nfs/dbraw/zinc/03/62/34/176036234.db2.gz KWGYXOOQBIWDNW-OAHLLOKOSA-N 1 0 260.381 2.412 10 0 CEAERO Cc1noc(C)c1C[NH2+][C@]1(CO)CCC[C@@H](C)C1 ZINC000071137725 176036426 /nfs/dbraw/zinc/03/64/26/176036426.db2.gz GFIWVNPTHAIZOL-QMTHXVAHSA-N 1 0 252.358 2.322 10 0 CEAERO CC[NH2+][C@H](c1ccc2c(c1)C(=O)N(C)C(=O)C2)C1CCC1 ZINC000071139496 176037923 /nfs/dbraw/zinc/03/79/23/176037923.db2.gz HUIAASBXGWBFII-INIZCTEOSA-N 1 0 286.375 2.292 10 0 CEAERO C[NH2+][C@@H](CC(C)C)c1ccc2c(c1)C(=O)N(C)C(=O)C2 ZINC000071139475 176037929 /nfs/dbraw/zinc/03/79/29/176037929.db2.gz WBESYLJFOTWYFI-AWEZNQCLSA-N 1 0 274.364 2.148 10 0 CEAERO C[C@H]1CCC[C@H]([N@H+](CC(N)=O)Cc2cccc(N)c2)C1 ZINC000071150522 176045193 /nfs/dbraw/zinc/04/51/93/176045193.db2.gz LNCJUSDLAQFNAT-WFASDCNBSA-N 1 0 275.396 2.135 10 0 CEAERO CC[C@@H]1CCCC[C@]1(C[NH3+])N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071162241 176046117 /nfs/dbraw/zinc/04/61/17/176046117.db2.gz RTFZFIGXCBZJJC-BZUAXINKSA-N 1 0 267.461 2.168 10 0 CEAERO COc1ccc(C[C@@H](C)N2CCCC[C@@H]2C[NH3+])cc1 ZINC000071169808 176050448 /nfs/dbraw/zinc/05/04/48/176050448.db2.gz ZJEOWKNJSYOTFF-UKRRQHHQSA-N 1 0 262.397 2.439 10 0 CEAERO CCCOc1cncc(N2CCC[C@@H]2C[NH2+]C(C)C)n1 ZINC000071176823 176055307 /nfs/dbraw/zinc/05/53/07/176055307.db2.gz RQZGQFGITFTXQU-CYBMUJFWSA-N 1 0 278.400 2.232 10 0 CEAERO CCCOc1cncc(N[C@@H]2c3ccccc3C[C@H]2[NH3+])n1 ZINC000071177459 176055426 /nfs/dbraw/zinc/05/54/26/176055426.db2.gz VURQSOKZBHBIKG-CZUORRHYSA-N 1 0 284.363 2.302 10 0 CEAERO CN(Cc1cccnc1Cl)C[C@H]1CC[N@H+](C)C1 ZINC000071189074 176064409 /nfs/dbraw/zinc/06/44/09/176064409.db2.gz QDHLLMBSCKFJLI-NSHDSACASA-N 1 0 253.777 2.119 10 0 CEAERO CN(C[C@@H]1CC[N@H+](C)C1)c1nc2ccccc2cc1CO ZINC000071189636 176065311 /nfs/dbraw/zinc/06/53/11/176065311.db2.gz RMIOVCPWNWZQCX-CYBMUJFWSA-N 1 0 285.391 2.115 10 0 CEAERO CN(Cc1cc2ccccc2nc1N)C[C@H]1CC[N@H+](C)C1 ZINC000071191096 176068036 /nfs/dbraw/zinc/06/80/36/176068036.db2.gz NMZNYZVQFPEWPM-ZDUSSCGKSA-N 1 0 284.407 2.201 10 0 CEAERO CC(C)[NH2+][C@H]1CCN(CCc2ccc(F)cc2)C1 ZINC000071198343 176077065 /nfs/dbraw/zinc/07/70/65/176077065.db2.gz OVSQNQCVOOEKHT-HNNXBMFYSA-N 1 0 250.361 2.441 10 0 CEAERO COc1ccc(CN2CC[C@@H]([NH2+]C(C)C)C2)cc1OC ZINC000071199114 176077228 /nfs/dbraw/zinc/07/72/28/176077228.db2.gz NHFJFMGTTUFMHP-CQSZACIVSA-N 1 0 278.396 2.276 10 0 CEAERO CCC[NH2+][C@H]1CCCN(Cc2csc(C)n2)C1 ZINC000071200775 176077708 /nfs/dbraw/zinc/07/77/08/176077708.db2.gz JGWXPXWIHXMCDS-LBPRGKRZSA-N 1 0 253.415 2.416 10 0 CEAERO COCCN(CCC(N)=[NH2+])Cc1ccc(Cl)cc1 ZINC000071229131 176091229 /nfs/dbraw/zinc/09/12/29/176091229.db2.gz YYGWURZDLLGAFQ-UHFFFAOYSA-N 1 0 269.776 2.114 10 0 CEAERO CC(C)(C)OC(=O)N1CCCC[C@@H]2CC[NH2+]C[C@H]21 ZINC000071257584 176095900 /nfs/dbraw/zinc/09/59/00/176095900.db2.gz SCYXEFDQDRMNIJ-VXGBXAGGSA-N 1 0 254.374 2.386 10 0 CEAERO COCC[N@H+](Cc1ccc(F)cc1C(N)=S)C1CC1 ZINC000071266008 176099140 /nfs/dbraw/zinc/09/91/40/176099140.db2.gz TUQLBQGUAXRNJE-UHFFFAOYSA-N 1 0 282.384 2.071 10 0 CEAERO C[C@H](Cn1cccn1)N1Cc2ccc(F)cc2C1=[NH2+] ZINC000071268861 176102483 /nfs/dbraw/zinc/10/24/83/176102483.db2.gz QKKYDOBKJKEBOE-SNVBAGLBSA-N 1 0 258.300 2.252 10 0 CEAERO CCOC(=O)CCCCC[NH2+]Cc1ccnc(OC)c1 ZINC000071297367 176112281 /nfs/dbraw/zinc/11/22/81/176112281.db2.gz JUVQJSLABMFEIS-UHFFFAOYSA-N 1 0 280.368 2.303 10 0 CEAERO CCOC(=O)CCCCC[NH2+][C@@H]1CCCC[C@H]1O ZINC000071297291 176112286 /nfs/dbraw/zinc/11/22/86/176112286.db2.gz DUJOLILZHVOPDG-CHWSQXEVSA-N 1 0 257.374 2.003 10 0 CEAERO C[C@H]([NH2+]C[C@H](O)C1CC1)c1ccc(-n2ccnc2)cc1 ZINC000071300573 176113537 /nfs/dbraw/zinc/11/35/37/176113537.db2.gz BCGVRKOSVJVPJD-LRDDRELGSA-N 1 0 271.364 2.294 10 0 CEAERO CC[NH+](CC)C[C@@H](O)CNCc1ccc(Cl)s1 ZINC000071308710 176116437 /nfs/dbraw/zinc/11/64/37/176116437.db2.gz RGVYNWXXFSHZTP-JTQLQIEISA-N 1 0 276.833 2.194 10 0 CEAERO CCN(C(=O)Cc1cccc(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000071312468 176119129 /nfs/dbraw/zinc/11/91/29/176119129.db2.gz JGQILBNIUDBFJF-ZDUSSCGKSA-N 1 0 266.772 2.093 10 0 CEAERO CCN(C(=O)c1cc(Cl)c(Cl)[nH]1)[C@@H]1CC[NH2+]C1 ZINC000071312554 176119277 /nfs/dbraw/zinc/11/92/77/176119277.db2.gz JWDIAAWRNDZPJI-SSDOTTSWSA-N 1 0 276.167 2.146 10 0 CEAERO CCc1cc2c(ncnc2N(CC)[C@H]2CC[NH2+]C2)s1 ZINC000071314195 176120672 /nfs/dbraw/zinc/12/06/72/176120672.db2.gz VPYJRPCKIAYFLI-JTQLQIEISA-N 1 0 276.409 2.442 10 0 CEAERO CCCN(Cc1cn2cccc(C)c2n1)[C@H]1CC[NH2+]C1 ZINC000071331400 176124928 /nfs/dbraw/zinc/12/49/28/176124928.db2.gz SOBIOECMHOWZRJ-HNNXBMFYSA-N 1 0 272.396 2.217 10 0 CEAERO Cc1ccccc1CCC(=O)NC[C@@H]1[NH2+]CCC[C@@H]1C ZINC000071338783 176129049 /nfs/dbraw/zinc/12/90/49/176129049.db2.gz QCJJTRPRMREEHL-HOCLYGCPSA-N 1 0 274.408 2.432 10 0 CEAERO C[C@H]1CCC[NH2+][C@H]1CNC(=O)C1CCCCCC1 ZINC000071338803 176129073 /nfs/dbraw/zinc/12/90/73/176129073.db2.gz CSXUFQFZXPQJPD-JSGCOSHPSA-N 1 0 252.402 2.461 10 0 CEAERO COc1ccc(NC(=O)NC[C@H]2[NH2+]CCC[C@H]2C)cc1 ZINC000071338958 176129578 /nfs/dbraw/zinc/12/95/78/176129578.db2.gz OXSLMSNGPJZLDI-BXUZGUMPSA-N 1 0 277.368 2.205 10 0 CEAERO CC(C)[C@@H]1CNC(C)(C)C[N@@H+]1CC1CCOCC1 ZINC000071342480 176130321 /nfs/dbraw/zinc/13/03/21/176130321.db2.gz PFJZQOZPDGDIKS-AWEZNQCLSA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@@H]1CN(Cc2cccc(OC)n2)[C@H](C2CC2)C[NH2+]1 ZINC000071344108 176131172 /nfs/dbraw/zinc/13/11/72/176131172.db2.gz GOBHDXAKGPYBFA-HIFRSBDPSA-N 1 0 275.396 2.053 10 0 CEAERO CC[C@H]1CN(Cc2cn3ccccc3n2)[C@H](C2CC2)C[NH2+]1 ZINC000071344180 176131224 /nfs/dbraw/zinc/13/12/24/176131224.db2.gz HVUORDXGTSWUSZ-HOCLYGCPSA-N 1 0 284.407 2.297 10 0 CEAERO CC[C@H]1CN(CCOCC(F)(F)F)[C@@](C)(C2CC2)C[NH2+]1 ZINC000071345589 176131355 /nfs/dbraw/zinc/13/13/55/176131355.db2.gz PTEMMPQHOPBVLG-QWHCGFSZSA-N 1 0 294.361 2.418 10 0 CEAERO CC[C@@]1(C)C[N@H+](CCn2ccnc2C)[C@H](C(C)C)CN1 ZINC000071356973 176136573 /nfs/dbraw/zinc/13/65/73/176136573.db2.gz LCBAUKKCDFOJSX-HOTGVXAUSA-N 1 0 278.444 2.290 10 0 CEAERO CC1(C)CNC2(CCCC2)C[N@@H+]1CCCn1ccnc1 ZINC000071358937 176137651 /nfs/dbraw/zinc/13/76/51/176137651.db2.gz MUASGFCCDJXIMQ-UHFFFAOYSA-N 1 0 276.428 2.270 10 0 CEAERO CC[C@@]1(C)C[NH2+]C2(CCCC2)CN1CCn1cccn1 ZINC000071359015 176137682 /nfs/dbraw/zinc/13/76/82/176137682.db2.gz PBTDDSXXGFDHEO-HNNXBMFYSA-N 1 0 276.428 2.270 10 0 CEAERO CCC[C@@H]1C[NH2+]C2(CCCC2)CN1Cc1cnn(C)c1 ZINC000071358460 176138037 /nfs/dbraw/zinc/13/80/37/176138037.db2.gz BTGFLKRZWWPLFF-OAHLLOKOSA-N 1 0 276.428 2.307 10 0 CEAERO [NH3+]Cc1nnc(SCc2ccnc(Cl)c2)n1C1CC1 ZINC000071376339 176141010 /nfs/dbraw/zinc/14/10/10/176141010.db2.gz SUDJBSSKSHFHEP-UHFFFAOYSA-N 1 0 295.799 2.412 10 0 CEAERO C[N@H+](CCNC(=O)c1cc(N)ccc1F)C1CCCC1 ZINC000071376466 176141016 /nfs/dbraw/zinc/14/10/16/176141016.db2.gz OEHRFRFGTURVAE-UHFFFAOYSA-N 1 0 279.359 2.012 10 0 CEAERO C[N@H+](CCNc1ccc(N)c2nonc21)C1CCCC1 ZINC000071377041 176141783 /nfs/dbraw/zinc/14/17/83/176141783.db2.gz NCXXABBTHCKCMX-UHFFFAOYSA-N 1 0 275.356 2.091 10 0 CEAERO C[C@@H](c1cccs1)[N@H+](C)CCn1ccc(N)n1 ZINC000071378060 176142826 /nfs/dbraw/zinc/14/28/26/176142826.db2.gz SJUFXMSYORGFJW-JTQLQIEISA-N 1 0 250.371 2.220 10 0 CEAERO Cc1ccc(N)c(C(=O)NCC[N@@H+](C)C2CCCC2)c1 ZINC000071380044 176144332 /nfs/dbraw/zinc/14/43/32/176144332.db2.gz KDGORZGUHONMDR-UHFFFAOYSA-N 1 0 275.396 2.181 10 0 CEAERO Cc1ccc(N)c(C(=O)NC[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC000071383413 176146579 /nfs/dbraw/zinc/14/65/79/176146579.db2.gz NWBQGBOQYYKBPD-MRXNPFEDSA-N 1 0 289.423 2.427 10 0 CEAERO CN(C)c1ccc(-c2nc([C@H]3CCC[NH2+]3)no2)cc1 ZINC000071396503 176150240 /nfs/dbraw/zinc/15/02/40/176150240.db2.gz SLSXECRFMQHYNV-GFCCVEGCSA-N 1 0 258.325 2.227 10 0 CEAERO [NH3+]Cc1ccc(OCCn2ccnc2)c(C(F)(F)F)c1 ZINC000071398313 176151773 /nfs/dbraw/zinc/15/17/73/176151773.db2.gz QLGWYXIDZHSYKC-UHFFFAOYSA-N 1 0 285.269 2.440 10 0 CEAERO COC(=O)[C@H](C)Oc1ccc(C)cc1C[NH2+]C(C)C ZINC000071406486 176156039 /nfs/dbraw/zinc/15/60/39/176156039.db2.gz VMPKYZZFJPMSLO-LBPRGKRZSA-N 1 0 265.353 2.433 10 0 CEAERO CCC[NH2+]Cc1cc(C)ccc1O[C@H](C)C(=O)NCC ZINC000071406328 176156050 /nfs/dbraw/zinc/15/60/50/176156050.db2.gz JOOZNLYUYYWYNM-CYBMUJFWSA-N 1 0 278.396 2.398 10 0 CEAERO COCC[NH2+]Cc1cc(C)ccc1OCC(=O)OC(C)C ZINC000071407404 176156465 /nfs/dbraw/zinc/15/64/65/176156465.db2.gz PGMALOCSCOQUQX-UHFFFAOYSA-N 1 0 295.379 2.061 10 0 CEAERO Cc1ccc(OCC(=O)N(C)C(C)C)c(C[C@@H](C)[NH3+])c1 ZINC000071412033 176157389 /nfs/dbraw/zinc/15/73/89/176157389.db2.gz SCWJLYONKJASMP-CYBMUJFWSA-N 1 0 278.396 2.130 10 0 CEAERO Cc1ccncc1NC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000071414217 176158947 /nfs/dbraw/zinc/15/89/47/176158947.db2.gz MLGYXEBDIIXMOH-RWMBFGLXSA-N 1 0 259.353 2.249 10 0 CEAERO COc1ccc(I)cc1[C@@H](C)[NH3+] ZINC000071463197 176179694 /nfs/dbraw/zinc/17/96/94/176179694.db2.gz UBDDSAAEFIGMMU-ZCFIWIBFSA-N 1 0 277.105 2.320 10 0 CEAERO CN1C[C@H](CC[NH3+])c2ccc(Br)cc21 ZINC000071484005 176189040 /nfs/dbraw/zinc/18/90/40/176189040.db2.gz LUGMEMWSFXFYND-QMMMGPOBSA-N 1 0 255.159 2.331 10 0 CEAERO COc1ccc2c(ccn(CC[NH+]3CCCCC3)c2=O)c1 ZINC000071503235 176192958 /nfs/dbraw/zinc/19/29/58/176192958.db2.gz ROQDPRRTINLNCY-UHFFFAOYSA-N 1 0 286.375 2.496 10 0 CEAERO Cc1cc2c([nH]c(SC3CC[NH+](C)CC3)nc2=O)s1 ZINC000071514825 176193452 /nfs/dbraw/zinc/19/34/52/176193452.db2.gz NXGKPOAELPGQRW-UHFFFAOYSA-N 1 0 295.433 2.479 10 0 CEAERO C[NH2+][C@H](C(=O)c1cc(OC)ccc1OC)C(C)C ZINC000071573097 176199740 /nfs/dbraw/zinc/19/97/40/176199740.db2.gz PENQBKRQNWQOEH-ZDUSSCGKSA-N 1 0 251.326 2.131 10 0 CEAERO CC(C)[C@@H]([NH3+])[C@@H](O)c1ccccc1Br ZINC000071583655 176208358 /nfs/dbraw/zinc/20/83/58/176208358.db2.gz OMXIQOUMTLIIMY-MNOVXSKESA-N 1 0 258.159 2.466 10 0 CEAERO CCc1ccc(OC)c(-c2c[nH]c(CC[NH2+]C)n2)c1 ZINC000071585552 176211598 /nfs/dbraw/zinc/21/15/98/176211598.db2.gz GNCDLRPJEPOUPP-UHFFFAOYSA-N 1 0 259.353 2.410 10 0 CEAERO C[NH2+][C@@H](C(=O)c1ccc(OC)c(C)c1OC)C(C)C ZINC000071597835 176221605 /nfs/dbraw/zinc/22/16/05/176221605.db2.gz QCHWAMCVHNAEEJ-CYBMUJFWSA-N 1 0 265.353 2.439 10 0 CEAERO CN(c1ccc2c(c1)CCN2C)C1CC[NH+](C)CC1 ZINC000071711307 176248684 /nfs/dbraw/zinc/24/86/84/176248684.db2.gz MQAFASCELMSEIU-UHFFFAOYSA-N 1 0 259.397 2.209 10 0 CEAERO CC(C)[C@@H](C)NC(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662348960 415796946 /nfs/dbraw/zinc/79/69/46/415796946.db2.gz YZKYZOGNQCLILP-SECBINFHSA-N 1 0 252.383 2.168 10 0 CEAERO CC[C@@H](C[NH3+])NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000074534331 176579713 /nfs/dbraw/zinc/57/97/13/176579713.db2.gz RBJPWSKKHVTKBO-ZCRIDZFUSA-N 1 0 252.745 2.207 10 0 CEAERO C[C@H]1CN(C(=O)Cc2c[nH]c3ccccc23)C[C@H](C)[NH+]1C ZINC000074556561 176586214 /nfs/dbraw/zinc/58/62/14/176586214.db2.gz RNNJNDHFKVUOAU-STQMWFEESA-N 1 0 285.391 2.261 10 0 CEAERO CC[C@@H]([NH2+]C)C(=O)N1CCCC[C@H]1c1nccs1 ZINC000662480271 415859107 /nfs/dbraw/zinc/85/91/07/415859107.db2.gz JFSFBTIVNRWPBY-MNOVXSKESA-N 1 0 267.398 2.195 10 0 CEAERO C[NH2+]CC[C@@H]1CCN(c2cc(OC)ccc2OC)C1 ZINC000076368789 177006046 /nfs/dbraw/zinc/00/60/46/177006046.db2.gz QZRLYVRFOCLYCO-GFCCVEGCSA-N 1 0 264.369 2.140 10 0 CEAERO C[NH2+]CCC(=O)N(C)c1ccc(OC)c(C(C)C)c1 ZINC000076369116 177006400 /nfs/dbraw/zinc/00/64/00/177006400.db2.gz DPLGGPOLCDKEQC-UHFFFAOYSA-N 1 0 264.369 2.391 10 0 CEAERO COc1cc(C)c([C@@H](O)[C@H](C)[NH2+]C2CC2)cc1OC ZINC000076372342 177008582 /nfs/dbraw/zinc/00/85/82/177008582.db2.gz TZOCVPKAQJTRGL-BONVTDFDSA-N 1 0 265.353 2.186 10 0 CEAERO C[NH2+]CCC(=O)OCc1cccc(Br)c1 ZINC000076413180 177020823 /nfs/dbraw/zinc/02/08/23/177020823.db2.gz UVQSOIGGOMLDGY-UHFFFAOYSA-N 1 0 272.142 2.102 10 0 CEAERO COc1cccc(OC[C@H](C[NH3+])c2ccncc2)c1 ZINC000076666186 177051002 /nfs/dbraw/zinc/05/10/02/177051002.db2.gz DVUVOHCRQCOCJL-ZDUSSCGKSA-N 1 0 258.321 2.212 10 0 CEAERO [NH3+]CCN(Cc1ccc(F)cc1)Cc1cccnc1 ZINC000076668724 177052385 /nfs/dbraw/zinc/05/23/85/177052385.db2.gz YJIVYQUPYHNCJN-UHFFFAOYSA-N 1 0 259.328 2.182 10 0 CEAERO O[C@]1(CNC2c3ccccc3-c3ccccc32)CC[NH2+]C1 ZINC000077353738 177255786 /nfs/dbraw/zinc/25/57/86/177255786.db2.gz HEDZJHGUBFZLRU-GOSISDBHSA-N 1 0 280.371 2.070 10 0 CEAERO C[NH2+][C@@H](C)CC(=O)Nc1ccc(OC(C)C)cc1 ZINC000077431958 177267532 /nfs/dbraw/zinc/26/75/32/177267532.db2.gz OGAASTJVPUSAQI-NSHDSACASA-N 1 0 250.342 2.410 10 0 CEAERO C[NH2+]CCN(C)Cc1cc(C)c(OC)c(C)c1C ZINC000077432373 177268199 /nfs/dbraw/zinc/26/81/99/177268199.db2.gz FECWCIVTGASUIM-UHFFFAOYSA-N 1 0 250.386 2.272 10 0 CEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@@H]1CC=CCC1 ZINC000077552871 177280680 /nfs/dbraw/zinc/28/06/80/177280680.db2.gz XCGQRJBPBJOZEK-QWHCGFSZSA-N 1 0 253.390 2.125 10 0 CEAERO O[C@H](c1cnn(-c2ccccc2)c1)[C@H]1CCCC[NH2+]1 ZINC000078597617 177358023 /nfs/dbraw/zinc/35/80/23/177358023.db2.gz FUOYUKTVEJQSBK-HUUCEWRRSA-N 1 0 257.337 2.048 10 0 CEAERO COC[C@@H](C)n1nc(C)c(C[NH2+]CC(C)C)c1C ZINC000078627592 177362270 /nfs/dbraw/zinc/36/22/70/177362270.db2.gz CGTSYNFTMOQRSF-LLVKDONJSA-N 1 0 253.390 2.453 10 0 CEAERO C[C@H](CS(C)(=O)=O)Nc1cc[nH+]c2ccccc12 ZINC000078637823 177362943 /nfs/dbraw/zinc/36/29/43/177362943.db2.gz ZNJHECLHYIJNGD-SNVBAGLBSA-N 1 0 264.350 2.080 10 0 CEAERO C[C@H](CC[NH3+])CCc1nc(CC(F)(F)F)no1 ZINC000079068932 177426787 /nfs/dbraw/zinc/42/67/87/177426787.db2.gz WQPCZEOALQCMKM-ZETCQYMHSA-N 1 0 251.252 2.092 10 0 CEAERO COc1ccc(CNC(=O)CC[C@H](C)CC[NH3+])c(OC)c1 ZINC000079120060 177437594 /nfs/dbraw/zinc/43/75/94/177437594.db2.gz HUWKUTMOXZTBAF-LBPRGKRZSA-N 1 0 294.395 2.085 10 0 CEAERO CCN(CC(F)(F)F)C(=O)CC[C@H](C)CC[NH3+] ZINC000079119616 177437692 /nfs/dbraw/zinc/43/76/92/177437692.db2.gz NPEJJMLQXVPIIK-VIFPVBQESA-N 1 0 254.296 2.162 10 0 CEAERO CC[C@@H](CC[NH3+])CCC(=O)N(C)Cc1ccccn1 ZINC000079208041 177446273 /nfs/dbraw/zinc/44/62/73/177446273.db2.gz ZSHLXTJYESMGFE-CYBMUJFWSA-N 1 0 263.385 2.195 10 0 CEAERO CC[C@H](CC[NH3+])CCC(=O)NCc1ccc(C)o1 ZINC000079212973 177448404 /nfs/dbraw/zinc/44/84/04/177448404.db2.gz DDIOXZAOSKPNMN-LBPRGKRZSA-N 1 0 252.358 2.359 10 0 CEAERO CC[C@H](CC[NH3+])CCC(=O)N[C@@H]1COc2ccccc21 ZINC000079213660 177448703 /nfs/dbraw/zinc/44/87/03/177448703.db2.gz LEZDRWCGBRPATC-GXTWGEPZSA-N 1 0 276.380 2.392 10 0 CEAERO CCC[C@H](CC[NH3+])CCC(=O)N(CC)C[C@H]1CCOC1 ZINC000079238887 177453649 /nfs/dbraw/zinc/45/36/49/177453649.db2.gz NASSAUZRJOORNZ-LSDHHAIUSA-N 1 0 284.444 2.417 10 0 CEAERO CC(C)[C@H]1CCC(=O)N(Cc2ccnc(C[NH3+])c2)CC1 ZINC000079248347 177456668 /nfs/dbraw/zinc/45/66/68/177456668.db2.gz RNEHHXLTLBMSEI-AWEZNQCLSA-N 1 0 275.396 2.325 10 0 CEAERO CC(C)[C@@H](CC[NH3+])CCC(=O)NCCc1ccco1 ZINC000079255098 177459402 /nfs/dbraw/zinc/45/94/02/177459402.db2.gz AUWSSLKVVZDJGI-CYBMUJFWSA-N 1 0 266.385 2.340 10 0 CEAERO Cc1cc(NC(=O)CC[C@@H](CC[NH3+])C(C)C)n[nH]1 ZINC000079278952 177462607 /nfs/dbraw/zinc/46/26/07/177462607.db2.gz BGHURESHQXHIQN-NSHDSACASA-N 1 0 252.362 2.058 10 0 CEAERO CC(C)[C@H]1CCCN(C(=O)c2cc[nH+]c(NN)c2)CC1 ZINC000079408918 177481858 /nfs/dbraw/zinc/48/18/58/177481858.db2.gz SWZSFXVUTRYBOP-LBPRGKRZSA-N 1 0 276.384 2.266 10 0 CEAERO C[C@]1(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)CCC[NH2+]1 ZINC000079512122 177510215 /nfs/dbraw/zinc/51/02/15/177510215.db2.gz AMYHCBJCUMHOLV-UMVBOHGHSA-N 1 0 250.386 2.167 10 0 CEAERO COc1cccc([C@@H](C)NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])c1 ZINC000079528081 177515932 /nfs/dbraw/zinc/51/59/32/177515932.db2.gz UTHFODAVOSGRNH-BBJCOLAGSA-N 1 0 288.391 2.246 10 0 CEAERO C[C@H](Cc1ccsc1)NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+] ZINC000079533627 177516700 /nfs/dbraw/zinc/51/67/00/177516700.db2.gz YZFWJZBEDKNYTE-CYDRSHDDSA-N 1 0 278.421 2.169 10 0 CEAERO CCC[NH2+][C@@H]1CCC(C)(C)C[C@@H]1N1CCOCC1 ZINC000079620487 177527024 /nfs/dbraw/zinc/52/70/24/177527024.db2.gz XLCSFFZXOXURCP-KGLIPLIRSA-N 1 0 254.418 2.266 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@H]1NC(=O)c1ccc(Cl)cn1 ZINC000079730534 177545011 /nfs/dbraw/zinc/54/50/11/177545011.db2.gz NORKTBJAKJNUIF-GHMZBOCLSA-N 1 0 267.760 2.125 10 0 CEAERO CC[C@@](C)(NC(=O)Nc1ccc(F)cc1)C(N)=[NH2+] ZINC000079780396 177557453 /nfs/dbraw/zinc/55/74/53/177557453.db2.gz SRVGZWQXMBMPPY-GFCCVEGCSA-N 1 0 252.293 2.052 10 0 CEAERO NC(=[NH2+])[C@@H]1CCCN1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000079807379 177562697 /nfs/dbraw/zinc/56/26/97/177562697.db2.gz YMSCMHZLNLFWEZ-PCPABOIYSA-N 1 0 290.411 2.065 10 0 CEAERO CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1[NH2+]C1CCN(C(N)=O)CC1 ZINC000080143985 177614437 /nfs/dbraw/zinc/61/44/37/177614437.db2.gz MBQSEPQSLDJWAF-KFNAQCHYSA-N 1 0 279.428 2.334 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)N1CCC2(CC2(F)F)CC1 ZINC000405102434 419401834 /nfs/dbraw/zinc/40/18/34/419401834.db2.gz IPEWQFUMAIKJSM-SNVBAGLBSA-N 1 0 260.328 2.008 10 0 CEAERO Cc1noc(C)c1[C@H](C)NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000136187255 419441275 /nfs/dbraw/zinc/44/12/75/419441275.db2.gz ZACCRUDDBHCTBZ-XPTSAGLGSA-N 1 0 265.357 2.001 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)N1CCC[C@@H]1c1cccnc1 ZINC000136313774 419443209 /nfs/dbraw/zinc/44/32/09/419443209.db2.gz OQKKEJJUJALDEX-ZIAGYGMSSA-N 1 0 261.369 2.119 10 0 CEAERO COc1ccc([C@@H](C)NC(=O)C[C@H]([NH3+])C(C)C)cc1F ZINC000136350748 419443474 /nfs/dbraw/zinc/44/34/74/419443474.db2.gz AUGZAGUMVDGTRS-MFKMUULPSA-N 1 0 282.359 2.385 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)NCc1nc2ccccc2s1 ZINC000136427184 419447807 /nfs/dbraw/zinc/44/78/07/419447807.db2.gz CEDVVGKXQCPQBQ-JTQLQIEISA-N 1 0 277.393 2.286 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)NCc1ccccc1Br ZINC000136439322 419448071 /nfs/dbraw/zinc/44/80/71/419448071.db2.gz WBGVENVJQBKNOH-GFCCVEGCSA-N 1 0 299.212 2.439 10 0 CEAERO CCOC(=O)c1ccc(N2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000201277215 419457360 /nfs/dbraw/zinc/45/73/60/419457360.db2.gz UQZOVDYOGULDHG-GFCCVEGCSA-N 1 0 262.353 2.004 10 0 CEAERO Cc1cc(NC=O)c(OC(C)C)cc1N1CC[NH+](C)CC1 ZINC000215979580 419461487 /nfs/dbraw/zinc/46/14/87/419461487.db2.gz FGANBKFFJPLZOP-UHFFFAOYSA-N 1 0 291.395 2.102 10 0 CEAERO COCc1nc(C[NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)cs1 ZINC000666429314 419664644 /nfs/dbraw/zinc/66/46/44/419664644.db2.gz PKVCKTHNPNILBB-DCAQKATOSA-N 1 0 270.398 2.193 10 0 CEAERO C[C@@H]1CCN(c2ccncc2Br)[C@H](C[NH3+])C1 ZINC000261532979 287605328 /nfs/dbraw/zinc/60/53/28/287605328.db2.gz FFOQUDGIMWXKTA-ZJUUUORDSA-N 1 0 284.201 2.408 10 0 CEAERO COc1cc(CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)ccc1C ZINC000237354176 260683405 /nfs/dbraw/zinc/68/34/05/260683405.db2.gz ZIIFOPZVSBWMBY-UONOGXRCSA-N 1 0 276.380 2.137 10 0 CEAERO CCC[C@@H](C)[NH+]1CCN(c2nccc(OCC)n2)CC1 ZINC000187683479 270255448 /nfs/dbraw/zinc/25/54/48/270255448.db2.gz UYLPJTNQLUVOGG-CYBMUJFWSA-N 1 0 278.400 2.186 10 0 CEAERO CCC[C@H](C)[NH+]1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000187682991 270255690 /nfs/dbraw/zinc/25/56/90/270255690.db2.gz JXZNEQMRVHFYQW-RYUDHWBXSA-N 1 0 266.389 2.245 10 0 CEAERO CCc1ccccc1CC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000191137243 270272231 /nfs/dbraw/zinc/27/22/31/270272231.db2.gz AZVZRXHZTVHYJD-KRWDZBQOSA-N 1 0 286.419 2.488 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)c2ccc(F)cc2)C1 ZINC000194170116 270293501 /nfs/dbraw/zinc/29/35/01/270293501.db2.gz FRXQLKQGPITULV-CYBMUJFWSA-N 1 0 279.359 2.456 10 0 CEAERO CC(C)(C)OC(=O)NCCC(C)(C)[NH2+]Cc1cocn1 ZINC000397276091 270352545 /nfs/dbraw/zinc/35/25/45/270352545.db2.gz LGOCIDLXUZNUHL-UHFFFAOYSA-N 1 0 283.372 2.458 10 0 CEAERO CCc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)nc1 ZINC000398758268 270362459 /nfs/dbraw/zinc/36/24/59/270362459.db2.gz AQNQFBOTDLOTCH-OFQRWUPVSA-N 1 0 260.381 2.237 10 0 CEAERO CCc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)nc1 ZINC000398758263 270362547 /nfs/dbraw/zinc/36/25/47/270362547.db2.gz AQNQFBOTDLOTCH-DZKIICNBSA-N 1 0 260.381 2.237 10 0 CEAERO COc1ccc(C)cc1[C@H](C)NC(=O)[C@@H]([NH3+])C1CCC1 ZINC000399094940 270366055 /nfs/dbraw/zinc/36/60/55/270366055.db2.gz XYCJJLPQYUFNEE-NHYWBVRUSA-N 1 0 276.380 2.308 10 0 CEAERO C[C@H]1CC[C@@H](O)CN1Cc1cc(-c2ccco2)on1 ZINC000399168195 270366415 /nfs/dbraw/zinc/36/64/15/270366415.db2.gz FUZPSHNIQPJBEF-CMPLNLGQSA-N 1 0 262.309 2.280 10 0 CEAERO CCCCN(CCCC)C(=O)C[N@@H+]1C[C@H](O)CC[C@@H]1C ZINC000399458848 270370363 /nfs/dbraw/zinc/37/03/63/270370363.db2.gz JBIYOMNVIHPRIY-LSDHHAIUSA-N 1 0 284.444 2.260 10 0 CEAERO Cc1cc(Br)cnc1NCC[C@H](C)[NH3+] ZINC000086708484 280312332 /nfs/dbraw/zinc/31/23/32/280312332.db2.gz FERYVPHYTUHWDV-QMMMGPOBSA-N 1 0 258.163 2.302 10 0 CEAERO CC(C)C[C@@H](CO)[NH2+][C@H]1CC(=O)N(C)c2ccccc21 ZINC000040776321 273517020 /nfs/dbraw/zinc/51/70/20/273517020.db2.gz WZBPADHDLRSANK-JSGCOSHPSA-N 1 0 276.380 2.091 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000236988615 273617396 /nfs/dbraw/zinc/61/73/96/273617396.db2.gz PFBYIVCJJAIVES-ZIAGYGMSSA-N 1 0 264.344 2.447 10 0 CEAERO COc1ccc2c(C)nc(N3CC[N@@H+]4CCC[C@@H]4C3)nc2c1 ZINC000067770238 274120862 /nfs/dbraw/zinc/12/08/62/274120862.db2.gz KDESNRZSJXXJNE-CYBMUJFWSA-N 1 0 298.390 2.231 10 0 CEAERO C[C@H]1CN(Cc2cc(F)cc(Br)c2)C[C@@H]1[NH3+] ZINC000235637471 274586965 /nfs/dbraw/zinc/58/69/65/274586965.db2.gz MIWXQQZIQQTBES-UFBFGSQYSA-N 1 0 287.176 2.367 10 0 CEAERO Clc1nc2ccccc2nc1NC1CC[NH2+]CC1 ZINC000040434729 274885330 /nfs/dbraw/zinc/88/53/30/274885330.db2.gz QICZYKLIHVADAP-UHFFFAOYSA-N 1 0 262.744 2.447 10 0 CEAERO CC(C)C[C@H](CO)[NH2+][C@H]1CC(=O)N(C)c2ccccc21 ZINC000040776323 275597134 /nfs/dbraw/zinc/59/71/34/275597134.db2.gz WZBPADHDLRSANK-OCCSQVGLSA-N 1 0 276.380 2.091 10 0 CEAERO CC1(C)CN(C(=O)N2CCc3ccccc32)CC[C@H]1[NH3+] ZINC000334965657 275836377 /nfs/dbraw/zinc/83/63/77/275836377.db2.gz DEBLJGOSJCFAIM-CQSZACIVSA-N 1 0 273.380 2.228 10 0 CEAERO CCC[N@@H+]1CCC[C@]2(C1)c1ccc(C)nc1NC2=O ZINC000089222053 276012119 /nfs/dbraw/zinc/01/21/19/276012119.db2.gz LBAJOUUZCOBCOF-HNNXBMFYSA-N 1 0 259.353 2.086 10 0 CEAERO CC1(C)C[C@@H](NC(=O)C[C@H]2CC[NH2+]C2)c2ccccc2O1 ZINC000129613606 276141322 /nfs/dbraw/zinc/14/13/22/276141322.db2.gz JDIJCRRUPJSLDG-TZMCWYRMSA-N 1 0 288.391 2.405 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCc3ccccc32)[C@@H]1OC ZINC000131393606 276353847 /nfs/dbraw/zinc/35/38/47/276353847.db2.gz JLQVNVVSJVXIOO-QXSJWSMHSA-N 1 0 261.365 2.456 10 0 CEAERO CCN1CC2(CC[NH+](CC[C@H](C)SC)CC2)OC1=O ZINC000072433633 276358263 /nfs/dbraw/zinc/35/82/63/276358263.db2.gz PMKDKARIAKPQKR-LBPRGKRZSA-N 1 0 286.441 2.435 10 0 CEAERO CN(C(=O)[C@@H]1Cc2ccccc2S1)[C@@H]1CCC[NH2+]CC1 ZINC000231477200 276742681 /nfs/dbraw/zinc/74/26/81/276742681.db2.gz QEEGOWOULPQRCW-HIFRSBDPSA-N 1 0 290.432 2.304 10 0 CEAERO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2O)cc1 ZINC000135608019 277075409 /nfs/dbraw/zinc/07/54/09/277075409.db2.gz SDWFOMBUDGIIOR-HZPDHXFCSA-N 1 0 276.380 2.428 10 0 CEAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1C[C@H]1CCC=CO1 ZINC000248824573 277105540 /nfs/dbraw/zinc/10/55/40/277105540.db2.gz FUJIBLNRUMOTIZ-YJNKXOJESA-N 1 0 279.380 2.485 10 0 CEAERO CC(C)(C)OC[C@@H](O)C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000175802362 277216126 /nfs/dbraw/zinc/21/61/26/277216126.db2.gz LGKIXNLXWZARGD-MJBXVCDLSA-N 1 0 255.402 2.284 10 0 CEAERO CC(C)(C[NH3+])C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000122958679 277298047 /nfs/dbraw/zinc/29/80/47/277298047.db2.gz HEZNGKPBOSXDAY-DTWKUNHWSA-N 1 0 266.307 2.209 10 0 CEAERO CC(C)CC[NH2+]Cc1cccnc1N1CCOCC1 ZINC000236731983 277356482 /nfs/dbraw/zinc/35/64/82/277356482.db2.gz ZROOHMCCJDCEMA-UHFFFAOYSA-N 1 0 263.385 2.054 10 0 CEAERO CC(C)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000226335774 277777335 /nfs/dbraw/zinc/77/73/35/277777335.db2.gz WOXKKAMBUHKYBI-MQYQWHSLSA-N 1 0 252.402 2.445 10 0 CEAERO COc1cccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2[NH3+])c1 ZINC000035571723 278022269 /nfs/dbraw/zinc/02/22/69/278022269.db2.gz DIPGATWUKWINFF-KGLIPLIRSA-N 1 0 292.379 2.357 10 0 CEAERO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCS2(=O)=O)CC(C)(C)C1 ZINC000251721239 278026905 /nfs/dbraw/zinc/02/69/05/278026905.db2.gz CAAUGOLSCKASQT-FRRDWIJNSA-N 1 0 273.442 2.368 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccccc1N(C)C ZINC000180581712 278376660 /nfs/dbraw/zinc/37/66/60/278376660.db2.gz XUIOXFGAPKRHFA-CHWSQXEVSA-N 1 0 285.395 2.010 10 0 CEAERO C[C@@H]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000252089854 278463534 /nfs/dbraw/zinc/46/35/34/278463534.db2.gz DLABEDVUPWLTDE-XJFOESAGSA-N 1 0 252.402 2.446 10 0 CEAERO CC(C)(C)OC[C@H](O)C[NH2+][C@H]1CC2CCC1CC2 ZINC000336795316 278468241 /nfs/dbraw/zinc/46/82/41/278468241.db2.gz JNSOTSICOSLKBE-PQAZSJQKSA-N 1 0 255.402 2.331 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1cccc(C(F)(F)F)c1F ZINC000261660378 278541393 /nfs/dbraw/zinc/54/13/93/278541393.db2.gz FBHIDLJZTMQBSK-OIBJUYFYSA-N 1 0 290.260 2.406 10 0 CEAERO CC(C)=CC[NH2+]CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC000237446837 278666152 /nfs/dbraw/zinc/66/61/52/278666152.db2.gz DEZQTBXQZRVABY-ZIAGYGMSSA-N 1 0 254.418 2.430 10 0 CEAERO CCC[C@@H](C(=O)NC[C@H]1CCOc2ccccc21)[NH+](C)C ZINC000154172207 278856225 /nfs/dbraw/zinc/85/62/25/278856225.db2.gz BSRSZEUEENFBBO-HIFRSBDPSA-N 1 0 290.407 2.399 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCc2ccc(F)cc21 ZINC000235305950 279033987 /nfs/dbraw/zinc/03/39/87/279033987.db2.gz TZTVSVKBCNBAPR-GXFFZTMASA-N 1 0 262.328 2.103 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cc2c(s1)CCC2 ZINC000189299620 279035626 /nfs/dbraw/zinc/03/56/26/279035626.db2.gz VBHPKNKZEUYEEO-GXSJLCMTSA-N 1 0 264.394 2.107 10 0 CEAERO Cc1nc(C)c([C@H](C)[NH2+][C@H]2CCc3ncnn3C2)s1 ZINC000180586078 279079534 /nfs/dbraw/zinc/07/95/34/279079534.db2.gz WHXGENYDXQFKLC-ONGXEEELSA-N 1 0 277.397 2.017 10 0 CEAERO CC(C)C[C@H](C)N(C)C(=O)CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247402208 279101325 /nfs/dbraw/zinc/10/13/25/279101325.db2.gz PLPLIPQXCQYJTK-XHSDSOJGSA-N 1 0 295.471 2.048 10 0 CEAERO C[C@H](C[C@H]1COCCN1)[NH2+][C@H]1CCc2ccccc21 ZINC000252961337 279373592 /nfs/dbraw/zinc/37/35/92/279373592.db2.gz OALVGAWHANEDKQ-INWMFGNUSA-N 1 0 260.381 2.031 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261706562 279653777 /nfs/dbraw/zinc/65/37/77/279653777.db2.gz IUXAFDPGKOAJOI-YIYPIFLZSA-N 1 0 250.386 2.010 10 0 CEAERO C[C@H]1CCN(Cc2ccc(Br)cn2)[C@H](C[NH3+])C1 ZINC000261541660 279723224 /nfs/dbraw/zinc/72/32/24/279723224.db2.gz LNWAYKQNGLAQRB-GWCFXTLKSA-N 1 0 298.228 2.403 10 0 CEAERO C[C@H]1CCN(c2nccc(C(F)(F)F)n2)[C@@H](C[NH3+])C1 ZINC000235630437 279731698 /nfs/dbraw/zinc/73/16/98/279731698.db2.gz PIMZJVCVGAMFIL-DTWKUNHWSA-N 1 0 274.290 2.059 10 0 CEAERO C[C@H]1CN(Cc2cc(Cl)c3c(c2)OCCCO3)C[C@@H]1[NH3+] ZINC000235722221 279865230 /nfs/dbraw/zinc/86/52/30/279865230.db2.gz IOFNVJHHSFYCKL-GWCFXTLKSA-N 1 0 296.798 2.280 10 0 CEAERO C[C@H]1CN(Cc2nc3ccc(Cl)cc3n2C)C[C@H]1[NH3+] ZINC000262009198 279873606 /nfs/dbraw/zinc/87/36/06/279873606.db2.gz MCJOFAFAXLXQLB-GXSJLCMTSA-N 1 0 278.787 2.006 10 0 CEAERO O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@H]1CCC[NH2+]C1 ZINC000161954610 279886802 /nfs/dbraw/zinc/88/68/02/279886802.db2.gz LUVDFFCCMWZYLG-GARJFASQSA-N 1 0 278.318 2.223 10 0 CEAERO Cc1cccc([C@H](C)[NH2+][C@@H](C)C[C@H]2COCCN2)c1 ZINC000134121208 280013846 /nfs/dbraw/zinc/01/38/46/280013846.db2.gz QBUBRQPMWNHFNM-DZKIICNBSA-N 1 0 262.397 2.413 10 0 CEAERO Cc1cc(C(=O)CN2CCS[C@@H](C)C2)c(C)n1C ZINC000134343428 280018651 /nfs/dbraw/zinc/01/86/51/280018651.db2.gz IJCCOMCHXNOPJW-NSHDSACASA-N 1 0 266.410 2.262 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CCCc2cc(F)ccc21 ZINC000335061504 280043612 /nfs/dbraw/zinc/04/36/12/280043612.db2.gz XBBFVOUKJIVBBV-RISCZKNCSA-N 1 0 276.355 2.493 10 0 CEAERO C[C@@H](Cc1ccccc1)C[N@@H+]1CCCNC(=O)[C@H]1C ZINC000189093862 280142684 /nfs/dbraw/zinc/14/26/84/280142684.db2.gz DEXWWBPJJLAQKA-UONOGXRCSA-N 1 0 260.381 2.076 10 0 CEAERO C[C@]1(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)CC[NH2+]C1 ZINC000219830681 280149276 /nfs/dbraw/zinc/14/92/76/280149276.db2.gz WXQJWQCHJDSSQU-SCVCMEIPSA-N 1 0 278.318 2.223 10 0 CEAERO C[C@H]([NH3+])CCNC(=O)/C=C\c1ccc(Cl)cc1 ZINC000214354347 280208014 /nfs/dbraw/zinc/20/80/14/280208014.db2.gz ACPQBORYVBYLLN-VAWSOJLPSA-N 1 0 252.745 2.207 10 0 CEAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(Cl)c(F)c1 ZINC000215000797 280208561 /nfs/dbraw/zinc/20/85/61/280208561.db2.gz JZHBFVRDGJQZRE-PWSUYJOCSA-N 1 0 286.778 2.460 10 0 CEAERO CCC[C@@H]1C[C@H]1[NH2+]C[C@@H](O)COc1ccccc1F ZINC000233306725 280219410 /nfs/dbraw/zinc/21/94/10/280219410.db2.gz ZESJVDVTXDUSNE-YRGRVCCFSA-N 1 0 267.344 2.344 10 0 CEAERO COC[C@H](C)OC[C@H](O)C[NH2+][C@@H](C)c1cccc(C)c1 ZINC000234846120 280220908 /nfs/dbraw/zinc/22/09/08/280220908.db2.gz OUCIVPUMSFOMLU-OFQRWUPVSA-N 1 0 281.396 2.058 10 0 CEAERO COC[C@H](O)CC[NH2+][C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000245604039 280252804 /nfs/dbraw/zinc/25/28/04/280252804.db2.gz QCHAXWITZXZJBP-APIJFGDWSA-N 1 0 257.418 2.434 10 0 CEAERO Cc1c([C@@H](C)[NH2+][C@@H]2CCc3ncnn3C2)cnn1C(C)C ZINC000191357319 280252975 /nfs/dbraw/zinc/25/29/75/280252975.db2.gz OCKMHVLCGFJPCH-DGCLKSJQSA-N 1 0 288.399 2.030 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H](C)[C@H]2C)C1 ZINC000246477441 280296338 /nfs/dbraw/zinc/29/63/38/280296338.db2.gz VPSOIDRXHQLFLP-MJBXVCDLSA-N 1 0 267.417 2.301 10 0 CEAERO Cc1cccc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c1O ZINC000246487641 280296807 /nfs/dbraw/zinc/29/68/07/280296807.db2.gz QZOSPKCAEAEDDW-OCCSQVGLSA-N 1 0 276.380 2.159 10 0 CEAERO C[C@H](O)C[N@@H+]1CCN(C(=O)CCCC(C)(C)C)C[C@@H]1C ZINC000246620175 280304077 /nfs/dbraw/zinc/30/40/77/280304077.db2.gz CYJUXDBTGCXPEB-KBPBESRZSA-N 1 0 284.444 2.116 10 0 CEAERO Cc1cc(Br)cnc1N1CC[C@H]([NH3+])[C@H]1C ZINC000261538511 280311498 /nfs/dbraw/zinc/31/14/98/280311498.db2.gz YIYDVSCAHXLIBT-SCZZXKLOSA-N 1 0 270.174 2.078 10 0 CEAERO CCc1ncc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2CC)s1 ZINC000246864836 280312706 /nfs/dbraw/zinc/31/27/06/280312706.db2.gz DNGJBMPINGJIPB-NEPJUHHUSA-N 1 0 293.436 2.404 10 0 CEAERO CN(C)c1ccccc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000246903725 280313637 /nfs/dbraw/zinc/31/36/37/280313637.db2.gz HYINAYWFLNYVMN-HNNXBMFYSA-N 1 0 259.397 2.033 10 0 CEAERO Cc1ccc(CCC[N@H+]2CCN(C[C@H](C)O)[C@@H](C)C2)cc1 ZINC000248445767 280347296 /nfs/dbraw/zinc/34/72/96/280347296.db2.gz GPZIPUAOCLVCQG-IRXDYDNUSA-N 1 0 290.451 2.315 10 0 CEAERO CC[C@@H]1CN(C(=O)C[C@@H]2CCC[C@H]2C)CC[N@@H+]1C[C@@H](C)O ZINC000249011104 280379532 /nfs/dbraw/zinc/37/95/32/280379532.db2.gz OQAJFEOIQJFXAN-LVQVYYBASA-N 1 0 296.455 2.116 10 0 CEAERO CC[C@H](SC)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1CC ZINC000246081083 281014618 /nfs/dbraw/zinc/01/46/18/281014618.db2.gz GEGALWRGXIKEGG-UPJWGTAASA-N 1 0 270.442 2.213 10 0 CEAERO CC(C)c1ccc(OCC(=O)N2CC[C@H]([NH3+])[C@H]2C)cc1 ZINC000423643062 281073933 /nfs/dbraw/zinc/07/39/33/281073933.db2.gz MAPUILMVXIBNTA-DOMZBBRYSA-N 1 0 276.380 2.137 10 0 CEAERO Cc1cccc(OCCC(=O)N2CC[C@H]([NH3+])[C@H]2C)c1C ZINC000423654354 281074984 /nfs/dbraw/zinc/07/49/84/281074984.db2.gz AMUSRMKMZUTINJ-KGLIPLIRSA-N 1 0 276.380 2.020 10 0 CEAERO Cc1ccc(OCCC(=O)N2CC[C@H]([NH3+])[C@H]2C)c(C)c1 ZINC000423670907 281077262 /nfs/dbraw/zinc/07/72/62/281077262.db2.gz MPKOJHNHKYUAAW-KGLIPLIRSA-N 1 0 276.380 2.020 10 0 CEAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)NC1CCCC1 ZINC000252892645 288296370 /nfs/dbraw/zinc/29/63/70/288296370.db2.gz OKMHSSXSRGONAJ-OCCSQVGLSA-N 1 0 265.401 2.197 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CSC(F)(F)F ZINC000246983321 288315548 /nfs/dbraw/zinc/31/55/48/288315548.db2.gz OQCPTXDRYPEYLH-UWVGGRQHSA-N 1 0 296.358 2.325 10 0 CEAERO Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000261991391 281343776 /nfs/dbraw/zinc/34/37/76/281343776.db2.gz STKARNUDEDGPQL-BRWVUGGUSA-N 1 0 274.408 2.242 10 0 CEAERO Cc1nc(NCC2([NH3+])CCC2)ccc1Br ZINC000235945704 281973724 /nfs/dbraw/zinc/97/37/24/281973724.db2.gz KFOYSSBCJNNTKW-UHFFFAOYSA-N 1 0 270.174 2.446 10 0 CEAERO COC[C@@H](C)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000153820265 289123539 /nfs/dbraw/zinc/12/35/39/289123539.db2.gz BMQKIMYTZISTBT-OAHLLOKOSA-N 1 0 296.455 2.384 10 0 CEAERO CC(=O)N[C@@H]1CCC[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC000153879724 289126139 /nfs/dbraw/zinc/12/61/39/289126139.db2.gz WSGMPIYVFQKYHB-MRXNPFEDSA-N 1 0 286.375 2.063 10 0 CEAERO C[C@H](OC1CCCCCC1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000154433869 289145244 /nfs/dbraw/zinc/14/52/44/289145244.db2.gz JUBXWCZULQWZFA-UONOGXRCSA-N 1 0 282.428 2.277 10 0 CEAERO COc1cccc2c1CC[C@@H]2NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000262328412 289259346 /nfs/dbraw/zinc/25/93/46/289259346.db2.gz XLNZCDVUVIHOTN-HUBLWGQQSA-N 1 0 288.391 2.316 10 0 CEAERO C[C@H]1CC2(CCC2)C[N@@H+]1[C@H]1CCN(C2CCOCC2)C1=O ZINC000334551774 290362005 /nfs/dbraw/zinc/36/20/05/290362005.db2.gz YRJWWEODYIQSGZ-ZFWWWQNUSA-N 1 0 292.423 2.031 10 0 CEAERO COc1ccc2c(c1OC)CCN(C[C@]1(C)CC[NH2+]C1)C2 ZINC000262002496 295277854 /nfs/dbraw/zinc/27/78/54/295277854.db2.gz LNARQSRXMYQUDF-QGZVFWFLSA-N 1 0 290.407 2.062 10 0 CEAERO [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCc3ccc(F)c(F)c32)C1 ZINC000334954445 295312968 /nfs/dbraw/zinc/31/29/68/295312968.db2.gz ZHIPFUWHWIKPSL-MNOVXSKESA-N 1 0 295.333 2.307 10 0 CEAERO C[C@@H]1C[C@H](C[NH3+])CN1c1nc(C(C)(C)C)ns1 ZINC000216212140 297398588 /nfs/dbraw/zinc/39/85/88/297398588.db2.gz KJXAJACXQJUVSS-RKDXNWHRSA-N 1 0 254.403 2.009 10 0 CEAERO CC(C)c1csc(NC(=O)N2CC[C@H]([NH+](C)C)C2)n1 ZINC000170874697 297472074 /nfs/dbraw/zinc/47/20/74/297472074.db2.gz XDVOMJLDGOKHLH-JTQLQIEISA-N 1 0 282.413 2.434 10 0 CEAERO C[C@H](C(=O)N1CCC[C@H]2CCCC[C@H]21)C1C[NH2+]C1 ZINC000226104968 298042610 /nfs/dbraw/zinc/04/26/10/298042610.db2.gz RYMQUSRCIQEKAY-OUCADQQQSA-N 1 0 250.386 2.023 10 0 CEAERO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261745228 298186787 /nfs/dbraw/zinc/18/67/87/298186787.db2.gz PPVGIERCSXJNKQ-APIJFGDWSA-N 1 0 295.471 2.129 10 0 CEAERO [NH3+]CC[C@@H](Nc1ncccc1Br)C(F)F ZINC000383444745 321848222 /nfs/dbraw/zinc/84/82/22/321848222.db2.gz GDEVAMVIXRIQDW-SSDOTTSWSA-N 1 0 280.116 2.239 10 0 CEAERO Cc1nnsc1CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000384304220 321851531 /nfs/dbraw/zinc/85/15/31/321851531.db2.gz ZYRHTKVAIXIKER-JHJVBQTASA-N 1 0 280.441 2.247 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N(C)CCc1cccs1 ZINC000384519377 321853051 /nfs/dbraw/zinc/85/30/51/321853051.db2.gz HOOJYBKKVYCLPC-YPMHNXCESA-N 1 0 266.410 2.137 10 0 CEAERO COc1ccc(CNC(=O)[C@@]2(C)CCC[NH2+]2)cc1Cl ZINC000582295876 322461461 /nfs/dbraw/zinc/46/14/61/322461461.db2.gz OMVDYFJEYDGUMP-CQSZACIVSA-N 1 0 282.771 2.107 10 0 CEAERO FC(F)(F)c1cc(N2CC[NH2+]CC2)nc2c1CCCC2 ZINC000521400948 328674254 /nfs/dbraw/zinc/67/42/54/328674254.db2.gz TUWDALUQEGUNCL-UHFFFAOYSA-N 1 0 285.313 2.389 10 0 CEAERO OC1CC(C[NH2+]Cc2c(F)cccc2Br)C1 ZINC000394926680 329211660 /nfs/dbraw/zinc/21/16/60/329211660.db2.gz BYOXVFSZXIJGMS-UHFFFAOYSA-N 1 0 288.160 2.449 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])[C@H]1c1cccc(N)c1 ZINC000536954253 330382850 /nfs/dbraw/zinc/38/28/50/330382850.db2.gz QZPJZXNISACYEL-QWHCGFSZSA-N 1 0 277.368 2.278 10 0 CEAERO CC(C)CCCNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000157087701 519640437 /nfs/dbraw/zinc/64/04/37/519640437.db2.gz ZRLTYVYZQLJIKV-KBPBESRZSA-N 1 0 269.433 2.451 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CCC2CCC2)C1 ZINC000155430803 519691641 /nfs/dbraw/zinc/69/16/41/519691641.db2.gz ZKULEEBUDUTBQW-OCCSQVGLSA-N 1 0 252.402 2.412 10 0 CEAERO CC(C)[NH2+]Cc1cnc(N2CCSCC2)s1 ZINC000054901798 519728652 /nfs/dbraw/zinc/72/86/52/519728652.db2.gz HGAABLKCQLCULS-UHFFFAOYSA-N 1 0 257.428 2.194 10 0 CEAERO CC(C)[C@@H](C[NH2+]C1CC1)N(C)CCc1ccccn1 ZINC000052423730 519794892 /nfs/dbraw/zinc/79/48/92/519794892.db2.gz OJDDACUECQIESI-MRXNPFEDSA-N 1 0 261.413 2.333 10 0 CEAERO CC[NH2+]CCC(=O)N(CC)Cc1ccc(F)c(F)c1 ZINC000061295753 519915224 /nfs/dbraw/zinc/91/52/24/519915224.db2.gz VMVMCHZAIDBFTL-UHFFFAOYSA-N 1 0 270.323 2.313 10 0 CEAERO CCC[NH2+]Cc1c(C)nn([C@@H]2CCCC[C@@H]2O)c1C ZINC000054599985 519941440 /nfs/dbraw/zinc/94/14/40/519941440.db2.gz WIEHQQPOXIXRJF-CABCVRRESA-N 1 0 265.401 2.476 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)NCc1ccccc1Br ZINC000061267631 519962878 /nfs/dbraw/zinc/96/28/78/519962878.db2.gz HBCIUOJZKURBNT-JTQLQIEISA-N 1 0 299.212 2.311 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000061231157 519964227 /nfs/dbraw/zinc/96/42/27/519964227.db2.gz VHRBFYZKBDMKOZ-VHSXEESVSA-N 1 0 270.323 2.388 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccc(C)c(OC)c1C ZINC000061230590 519967104 /nfs/dbraw/zinc/96/71/04/519967104.db2.gz NAROUDXBAAJKBY-NSHDSACASA-N 1 0 264.369 2.496 10 0 CEAERO CCCN[C@@H](CC[N@H+](CCC)C1CC1)C(=O)OCC ZINC000062447256 519997654 /nfs/dbraw/zinc/99/76/54/519997654.db2.gz FMYCIZTUCNSVJT-AWEZNQCLSA-N 1 0 270.417 2.182 10 0 CEAERO CCC[NH2+][C@@H](CCSc1ccccc1F)C(N)=O ZINC000062598407 520006671 /nfs/dbraw/zinc/00/66/71/520006671.db2.gz CKHPKYCZVSPADH-NSHDSACASA-N 1 0 270.373 2.161 10 0 CEAERO CCC[NH2+][C@@H](CCSc1ccc(OC)cc1)C(N)=O ZINC000062599091 520006947 /nfs/dbraw/zinc/00/69/47/520006947.db2.gz XZCJKYJTASGOTK-ZDUSSCGKSA-N 1 0 282.409 2.031 10 0 CEAERO CCC[NH2+][C@@](C)(C[C@H](C)n1ccnc1CCC)C(N)=O ZINC000068650276 520046488 /nfs/dbraw/zinc/04/64/88/520046488.db2.gz IMGZJMFRWRSWGI-WFASDCNBSA-N 1 0 280.416 2.030 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(F)cc1OCCC(=O)OC ZINC000069317638 520076576 /nfs/dbraw/zinc/07/65/76/520076576.db2.gz YWMWLDHDXPFGJW-JTQLQIEISA-N 1 0 269.316 2.438 10 0 CEAERO CCC[NH2+][C@H](CN1CCN(C)C1=O)c1ccccc1 ZINC000052885564 520082274 /nfs/dbraw/zinc/08/22/74/520082274.db2.gz XGKSSXXIANLWKI-CQSZACIVSA-N 1 0 261.369 2.095 10 0 CEAERO CCC[NH2+][C@H](CCSC1CCCCC1)C(N)=O ZINC000062600985 520079383 /nfs/dbraw/zinc/07/93/83/520079383.db2.gz OWHADVQTDOESDU-GFCCVEGCSA-N 1 0 258.431 2.296 10 0 CEAERO CCN[C@@H](CC[N@H+](CC(C)C)C1CC1)C(=O)OCC ZINC000062461093 520085671 /nfs/dbraw/zinc/08/56/71/520085671.db2.gz HMZDRZQOQRSIJF-AWEZNQCLSA-N 1 0 270.417 2.038 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)NCc1ccccc1OC(F)F ZINC000061273934 520167364 /nfs/dbraw/zinc/16/73/64/520167364.db2.gz RYLXPTIFCZYKNJ-SNVBAGLBSA-N 1 0 286.322 2.292 10 0 CEAERO CCN[C@H](CC[N@H+](C)[C@@H](C)C(C)(C)C)C(=O)OCC ZINC000062456515 520186652 /nfs/dbraw/zinc/18/66/52/520186652.db2.gz VYKFSEXVXXZCIV-QWHCGFSZSA-N 1 0 272.433 2.284 10 0 CEAERO CC[NH2+][C@H]1CCN([C@H](CC)c2cccs2)C1=O ZINC000049660070 520215402 /nfs/dbraw/zinc/21/54/02/520215402.db2.gz QWMLRRKDKPBBIS-WDEREUQCSA-N 1 0 252.383 2.410 10 0 CEAERO CCO[C@@H](C[NH3+])CCN(CC)c1ccc(F)cc1 ZINC000062741237 520307747 /nfs/dbraw/zinc/30/77/47/520307747.db2.gz SQLAHOYAZPLBOC-CQSZACIVSA-N 1 0 254.349 2.406 10 0 CEAERO CCCOc1ccc(NC(=O)C(C)(C)[NH2+]C)cc1 ZINC000061319248 520385423 /nfs/dbraw/zinc/38/54/23/520385423.db2.gz FKCNPCASBGHDEW-UHFFFAOYSA-N 1 0 250.342 2.412 10 0 CEAERO CCOC(=O)C[C@@]1([NH+]2CCOCC2)C[C@@H](C)CC[C@@H]1C ZINC000068633924 520860991 /nfs/dbraw/zinc/86/09/91/520860991.db2.gz MDAHJRPTIWXQPU-DZKIICNBSA-N 1 0 283.412 2.467 10 0 CEAERO CCOc1ccc(O[C@H](C)C[NH2+]CCCOC)cc1 ZINC000053564420 521181649 /nfs/dbraw/zinc/18/16/49/521181649.db2.gz INUMABKDAILUKU-CYBMUJFWSA-N 1 0 267.369 2.479 10 0 CEAERO CCN(C[C@@]1(C[NH2+]C)CCOC1)c1ccc(C)cc1 ZINC000051252544 521235773 /nfs/dbraw/zinc/23/57/73/521235773.db2.gz LQJQBZOCCYWOCJ-INIZCTEOSA-N 1 0 262.397 2.447 10 0 CEAERO CCN(Cc1cnn(C)c1)C1(C[NH3+])CCC(C)CC1 ZINC000050539248 521440484 /nfs/dbraw/zinc/44/04/84/521440484.db2.gz BSZSEPOHAPZTRX-UHFFFAOYSA-N 1 0 264.417 2.150 10 0 CEAERO CCCc1nc(N(C)[C@H]2CCC[N@H+](C)C2)sc1CO ZINC000055003699 521528810 /nfs/dbraw/zinc/52/88/10/521528810.db2.gz WIYMXWIQNDHJTI-NSHDSACASA-N 1 0 283.441 2.118 10 0 CEAERO CCC1(C(=O)Nc2cccnc2Cl)CC[NH2+]CC1 ZINC000062848585 521673354 /nfs/dbraw/zinc/67/33/54/521673354.db2.gz OSEFHNFHCWHHQU-UHFFFAOYSA-N 1 0 267.760 2.453 10 0 CEAERO CCC[N@H+](CC[C@H](NC(C)C)C(=O)OCC)C1CC1 ZINC000062447260 521670612 /nfs/dbraw/zinc/67/06/12/521670612.db2.gz NBKDNVGJYOOEBL-AWEZNQCLSA-N 1 0 270.417 2.181 10 0 CEAERO CCCN([C@](C)(CC)C[NH3+])S(=O)(=O)c1ccccc1 ZINC000050093570 521697259 /nfs/dbraw/zinc/69/72/59/521697259.db2.gz CRNPXRQPFSFOOB-CQSZACIVSA-N 1 0 284.425 2.215 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N[C@@H](C)c1c(F)cccc1F ZINC000061316664 521936373 /nfs/dbraw/zinc/93/63/73/521936373.db2.gz DKMJQPCCGWFLEZ-QMMMGPOBSA-N 1 0 256.296 2.140 10 0 CEAERO C[NH2+]CC1(CN(C)c2cccc(F)c2)CCOCC1 ZINC000052183250 521969225 /nfs/dbraw/zinc/96/92/25/521969225.db2.gz OREKPFAWIJAZIS-UHFFFAOYSA-N 1 0 266.360 2.278 10 0 CEAERO C[NH2+]Cc1cc(CN2CCO[C@H]3CCC[C@@H]32)c(C)o1 ZINC000052540361 522106927 /nfs/dbraw/zinc/10/69/27/522106927.db2.gz YSZQNWXSWIYEHQ-GJZGRUSLSA-N 1 0 264.369 2.061 10 0 CEAERO C[NH2+]Cc1cnn(Cc2ccc(F)cc2Cl)c1 ZINC000054719119 522148010 /nfs/dbraw/zinc/14/80/10/522148010.db2.gz FATNETHTBIGZLR-UHFFFAOYSA-N 1 0 253.708 2.443 10 0 CEAERO C[NH2+]Cc1nnc(-c2cccc(C(F)(F)F)c2)o1 ZINC000050615327 522157111 /nfs/dbraw/zinc/15/71/11/522157111.db2.gz QUSQCWOJQWKSJN-UHFFFAOYSA-N 1 0 257.215 2.475 10 0 CEAERO C[NH2+][C@@H](CCCS(C)(=O)=O)Cc1ccccc1Cl ZINC000063017180 522343247 /nfs/dbraw/zinc/34/32/47/522343247.db2.gz XUEURCGVEINQKU-LBPRGKRZSA-N 1 0 289.828 2.295 10 0 CEAERO C[NH2+][C@@H](CS(C)(=O)=O)c1ccc2ccccc2c1 ZINC000054930206 522357373 /nfs/dbraw/zinc/35/73/73/522357373.db2.gz DVIPCVWIZWDYOF-AWEZNQCLSA-N 1 0 263.362 2.145 10 0 CEAERO C[NH2+][C@@](C)(CCCOc1cc(C)cc(C)c1C)C(N)=O ZINC000045520109 522407436 /nfs/dbraw/zinc/40/74/36/522407436.db2.gz OXHBYCHJZWNYQM-INIZCTEOSA-N 1 0 278.396 2.234 10 0 CEAERO C[NH2+][C@H](C)c1cnc(N(C)C2CCOCC2)s1 ZINC000054904617 522454557 /nfs/dbraw/zinc/45/45/57/522454557.db2.gz YZVGCRJKAVVIIZ-SECBINFHSA-N 1 0 255.387 2.039 10 0 CEAERO COC[C@H](C)N(C)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000049041011 522591075 /nfs/dbraw/zinc/59/10/75/522591075.db2.gz XIKSSKJAHPYMQD-WDEREUQCSA-N 1 0 265.357 2.205 10 0 CEAERO C[NH2+]CC[C@H]1CCCCN1C(=O)c1c(F)cccc1OC ZINC000088081153 517971526 /nfs/dbraw/zinc/97/15/26/517971526.db2.gz NPJYHJFMDANMNK-GFCCVEGCSA-N 1 0 294.370 2.439 10 0 CEAERO COc1ccc(C[NH2+][C@]2(CO)CCC[C@@H](C)C2)cc1O ZINC000053115402 518152376 /nfs/dbraw/zinc/15/23/76/518152376.db2.gz GHNBAMRCGMXTIL-MLGOLLRUSA-N 1 0 279.380 2.432 10 0 CEAERO Cc1cccn2nc(N3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)nc12 ZINC000094607476 518191197 /nfs/dbraw/zinc/19/11/97/518191197.db2.gz NNNWCRKPZVMEHU-KGLIPLIRSA-N 1 0 285.395 2.006 10 0 CEAERO O=S1(=O)CCC[C@@H]([NH2+][C@@H]2CCCc3cc(F)ccc32)C1 ZINC000183285520 518203028 /nfs/dbraw/zinc/20/30/28/518203028.db2.gz IWMJGMXGQFLNBO-UKRRQHHQSA-N 1 0 297.395 2.370 10 0 CEAERO c1ccc2c(c1)C[NH2+]C[C@@H]2c1nc(-c2ccncc2)no1 ZINC000087611676 518203910 /nfs/dbraw/zinc/20/39/10/518203910.db2.gz USGUPOIBXUIGGS-AWEZNQCLSA-N 1 0 278.315 2.367 10 0 CEAERO CC(C)(C)C1CCC(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000054667747 518603369 /nfs/dbraw/zinc/60/33/69/518603369.db2.gz RRXCHEFPDYROGH-BPCQOVAHSA-N 1 0 252.402 2.317 10 0 CEAERO CC(C)(C)[NH2+]C[C@H](c1ccccc1)N1CCOCC1 ZINC000052378004 518760918 /nfs/dbraw/zinc/76/09/18/518760918.db2.gz LJBAVXGBQBWCPF-OAHLLOKOSA-N 1 0 262.397 2.448 10 0 CEAERO CC(C)(C)[NH2+]C[C@H]1CCCN(Cc2ncccn2)C1 ZINC000054460397 518761054 /nfs/dbraw/zinc/76/10/54/518761054.db2.gz FFMCIQSOCDGOGP-CYBMUJFWSA-N 1 0 262.401 2.077 10 0 CEAERO CC(C)(C)[NH2+]CC1([C@H]2CCS(=O)(=O)C2)CCCC1 ZINC000054655938 518754997 /nfs/dbraw/zinc/75/49/97/518754997.db2.gz IGYNVRKEISDJPA-LBPRGKRZSA-N 1 0 273.442 2.370 10 0 CEAERO CC(C)(C)[NH2+]C[C@@H]1CC[C@@H](COC2CCOCC2)O1 ZINC000052597336 518760718 /nfs/dbraw/zinc/76/07/18/518760718.db2.gz VUDDUFKHQHAYJF-KBPBESRZSA-N 1 0 271.401 2.118 10 0 CEAERO CC(C)(C)[NH2+]Cc1cccc(OCCn2cncn2)c1 ZINC000052575136 518766297 /nfs/dbraw/zinc/76/62/97/518766297.db2.gz YVEDMLXCTUKDNG-UHFFFAOYSA-N 1 0 274.368 2.245 10 0 CEAERO CC(C)(C)c1ccc(SCC[C@H]([NH3+])C(N)=O)cc1 ZINC000062600375 519047738 /nfs/dbraw/zinc/04/77/38/519047738.db2.gz YGTOHQHDHIPMHV-LBPRGKRZSA-N 1 0 266.410 2.279 10 0 CEAERO CC(C)(C[N@@H+]1CCC[C@H](CO)C1)C(=O)Nc1ccccc1 ZINC000050104446 519233770 /nfs/dbraw/zinc/23/37/70/519233770.db2.gz SFAKCMBNWJWLTC-AWEZNQCLSA-N 1 0 290.407 2.356 10 0 CEAERO CC(C)CC1(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])CCC1 ZINC000157691001 519623115 /nfs/dbraw/zinc/62/31/15/519623115.db2.gz YVJBHXBCISOPIT-QWHCGFSZSA-N 1 0 252.402 2.446 10 0 CEAERO CC(C)CCC[C@@H](C)[NH2+][C@@H]1CC(=O)N(C(C)C)C1=O ZINC000049128621 519645760 /nfs/dbraw/zinc/64/57/60/519645760.db2.gz LQJDHMNQYHWVQO-CHWSQXEVSA-N 1 0 268.401 2.327 10 0 CEAERO CC(C)[NH2+]CCCc1nnc(-c2cscn2)o1 ZINC000062362123 519721245 /nfs/dbraw/zinc/72/12/45/519721245.db2.gz NPDJAVXYDGYFCN-UHFFFAOYSA-N 1 0 252.343 2.124 10 0 CEAERO CC(C)C[NH+]1CCN(CC(=O)c2ccc(F)cc2)CC1 ZINC000055080135 519725623 /nfs/dbraw/zinc/72/56/23/519725623.db2.gz SRDDKGFEUIFSHR-UHFFFAOYSA-N 1 0 278.371 2.282 10 0 CEAERO CC(C)[NH2+]Cc1ccoc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000052380294 519727716 /nfs/dbraw/zinc/72/77/16/519727716.db2.gz ZMOWKYPVMLYMJN-BETUJISGSA-N 1 0 266.385 2.387 10 0 CEAERO CC(C)[NH2+]Cc1cnn([C@H]2CCCCC[C@@H]2O)c1 ZINC000054600476 519728547 /nfs/dbraw/zinc/72/85/47/519728547.db2.gz GNAHTGWYYAWMFW-KBPBESRZSA-N 1 0 251.374 2.247 10 0 CEAERO CC(C)C[NH2+]C[C@H](C(C)C)N1CCOCC1(C)C ZINC000052546018 519745562 /nfs/dbraw/zinc/74/55/62/519745562.db2.gz VFTAXWNYMMXPIH-CQSZACIVSA-N 1 0 256.434 2.367 10 0 CEAERO CC(C)C[NH2+]C[C@H](C)[C@H]1CS(=O)(=O)c2ccccc21 ZINC000052967337 519746080 /nfs/dbraw/zinc/74/60/80/519746080.db2.gz DFZPWQBQTAERSS-GXTWGEPZSA-N 1 0 281.421 2.439 10 0 CEAERO CC(C)C[NH2+]Cc1ccccc1O[C@@H]1CCCCNC1=O ZINC000062729364 519747922 /nfs/dbraw/zinc/74/79/22/519747922.db2.gz OIAJWIHPTZLIBO-MRXNPFEDSA-N 1 0 290.407 2.480 10 0 CEAERO CC(C)C[NH2+]Cc1ccccc1O[C@H](C)C(=O)NC1CC1 ZINC000062729403 519747975 /nfs/dbraw/zinc/74/79/75/519747975.db2.gz PCSSWIJOLNRZDD-CYBMUJFWSA-N 1 0 290.407 2.478 10 0 CEAERO CC(C)C[NH2+]Cc1ccnc(N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000051399731 519747988 /nfs/dbraw/zinc/74/79/88/519747988.db2.gz XZWYXOUFWZUQSJ-ZIAGYGMSSA-N 1 0 277.412 2.441 10 0 CEAERO CC(C)OCCC[NH2+]CCSc1nnc2ccccn21 ZINC000061408881 519764407 /nfs/dbraw/zinc/76/44/07/519764407.db2.gz LVIHSNWIKXUFIH-UHFFFAOYSA-N 1 0 294.424 2.226 10 0 CEAERO CC(C)C[C@@H](C)OC[C@]([NH2+]C(C)C)(C(N)=O)C1CC1 ZINC000069196506 519774027 /nfs/dbraw/zinc/77/40/27/519774027.db2.gz HFKCSWBXHHQJLL-IUODEOHRSA-N 1 0 270.417 2.070 10 0 CEAERO CC(C)Oc1nc(N[C@@H](C)C[NH+]2CCCC2)ccc1N ZINC000049152312 519785739 /nfs/dbraw/zinc/78/57/39/519785739.db2.gz SDDIPECAIOEVPW-LBPRGKRZSA-N 1 0 278.400 2.347 10 0 CEAERO CC(C)[C@@H]1CCc2nc(N3CC[NH2+]CC3)sc2C1 ZINC000054556887 519803502 /nfs/dbraw/zinc/80/35/02/519803502.db2.gz ZKXHRDCEOHDCBH-LLVKDONJSA-N 1 0 265.426 2.314 10 0 CEAERO CC(C)[C@@H]1C[NH2+]CCN1Cc1ccn(C2CCCC2)n1 ZINC000068695859 519804792 /nfs/dbraw/zinc/80/47/92/519804792.db2.gz KCSUQRUDMAALTA-INIZCTEOSA-N 1 0 276.428 2.428 10 0 CEAERO CC(C)[C@H]1CC[C@H]([NH3+])[C@H](N(C)Cc2nccn2C)C1 ZINC000062251520 519826060 /nfs/dbraw/zinc/82/60/60/519826060.db2.gz RUFAXGWNYCHAHT-MELADBBJSA-N 1 0 264.417 2.004 10 0 CEAERO CC(C)c1ccc(C(=O)CN2CCC[C@H]([NH3+])C2)cc1 ZINC000050149571 519834416 /nfs/dbraw/zinc/83/44/16/519834416.db2.gz KKUIKKAROIXDHK-HNNXBMFYSA-N 1 0 260.381 2.416 10 0 CEAERO CCC[NH+]1CCC(NC(=O)c2ccc(N)c(F)c2)CC1 ZINC000054413444 519846534 /nfs/dbraw/zinc/84/65/34/519846534.db2.gz LTYXEGYOMJUESM-UHFFFAOYSA-N 1 0 279.359 2.012 10 0 CEAERO CCC[NH+]1CCC(Nc2nc(Cl)nc(OCC)n2)CC1 ZINC000061516890 519847811 /nfs/dbraw/zinc/84/78/11/519847811.db2.gz FUWUBTMFIHQLOZ-UHFFFAOYSA-N 1 0 299.806 2.210 10 0 CEAERO CC(C)c1ccn(-c2nc3c(cc2C[NH3+])CCC3)n1 ZINC000052884148 519848272 /nfs/dbraw/zinc/84/82/72/519848272.db2.gz BNZKNWDIJOSQLO-UHFFFAOYSA-N 1 0 256.353 2.338 10 0 CEAERO CCCN1CC[NH+]([C@@H]2C[C@@H](C(C)C)CC[C@@H]2O)CC1 ZINC000054558124 519859779 /nfs/dbraw/zinc/85/97/79/519859779.db2.gz QOHPMNYDPXIIHD-XHSDSOJGSA-N 1 0 268.445 2.200 10 0 CEAERO CCOCCC[NH2+]CCn1nc(C)c(Cl)c1C ZINC000053536463 519896636 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CC[NH2+]Cc1cccc(OC)c1OC1CCOCC1 ZINC000069288914 520003643 /nfs/dbraw/zinc/00/36/43/520003643.db2.gz YAXHATZQSJXZFU-UHFFFAOYSA-N 1 0 265.353 2.363 10 0 CEAERO CC[NH2+]Cc1cccc(OC[C@H](O)C(F)(F)F)c1 ZINC000068876123 520007183 /nfs/dbraw/zinc/00/71/83/520007183.db2.gz SIYVFIPWCMIIRX-NSHDSACASA-N 1 0 263.259 2.098 10 0 CEAERO CC[NH2+]Cc1ccnc(N2CCCSCC2)c1 ZINC000051520762 520010055 /nfs/dbraw/zinc/01/00/55/520010055.db2.gz YIVLZNJAQNXKIS-UHFFFAOYSA-N 1 0 251.399 2.134 10 0 CEAERO CCC[NH2+][C@@H](Cn1cnc2ccccc2c1=O)C1CC1 ZINC000069077371 520015301 /nfs/dbraw/zinc/01/53/01/520015301.db2.gz JKCIFYLNBHBCMI-HNNXBMFYSA-N 1 0 271.364 2.175 10 0 CEAERO CC[NH2+]Cc1cnc(N2CC(=O)Nc3ccccc32)s1 ZINC000054902030 520016002 /nfs/dbraw/zinc/01/60/02/520016002.db2.gz SFFDAXZWNNZMID-UHFFFAOYSA-N 1 0 288.376 2.343 10 0 CEAERO CC(C)n1ccnc(N[C@H](C)c2ccc(C[NH3+])cc2)c1=O ZINC000061759079 520022779 /nfs/dbraw/zinc/02/27/79/520022779.db2.gz KQCIHQHHGWXLMH-GFCCVEGCSA-N 1 0 286.379 2.456 10 0 CEAERO CCC[NH2+][C@@H]1COc2cc(O[C@@H]3CCC[C@@H]3O)ccc21 ZINC000062805111 520026292 /nfs/dbraw/zinc/02/62/92/520026292.db2.gz ZRMXAJHIDJAGCY-QLFBSQMISA-N 1 0 277.364 2.412 10 0 CEAERO CCC[NH2+][C@@H]1CCc2c1cccc2OCC(=O)NCC ZINC000062800048 520027028 /nfs/dbraw/zinc/02/70/28/520027028.db2.gz DLJFRTNRAKOPQX-CQSZACIVSA-N 1 0 276.380 2.188 10 0 CEAERO CC[NH2+][C@@H](C)c1cnn(CCOCC(F)(F)F)c1 ZINC000054721357 520079437 /nfs/dbraw/zinc/07/94/37/520079437.db2.gz PHSLXJNFWRHIEP-VIFPVBQESA-N 1 0 265.279 2.133 10 0 CEAERO CCC[NH2+][C@@](CSC(C)(C)C)(C(N)=O)C1CC1 ZINC000069185236 520056737 /nfs/dbraw/zinc/05/67/37/520056737.db2.gz FLQADSFQQUNHSR-CYBMUJFWSA-N 1 0 258.431 2.152 10 0 CEAERO CCC[NH2+][C@H](C)c1ccc(F)cc1OCC(=O)NCC ZINC000062747445 520064648 /nfs/dbraw/zinc/06/46/48/520064648.db2.gz ZFDHGUIGTUMMOK-LLVKDONJSA-N 1 0 282.359 2.401 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N[C@H]1CCCc2occc21 ZINC000061273758 520066737 /nfs/dbraw/zinc/06/67/37/520066737.db2.gz XPALEBRGQILXEB-JQWIXIFHSA-N 1 0 250.342 2.161 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1ccc(-c2nnco2)cc1C ZINC000061271320 520067945 /nfs/dbraw/zinc/06/79/45/520067945.db2.gz CYALHYVLEPXYNT-NSHDSACASA-N 1 0 288.351 2.372 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000061270489 520068188 /nfs/dbraw/zinc/06/81/88/520068188.db2.gz CZHKACIGQRAJRH-QMMMGPOBSA-N 1 0 284.743 2.395 10 0 CEAERO CCC[NH2+][C@H](CC[N@H+](C)CC1CCCCC1)C(=O)[O-] ZINC000062526684 520070232 /nfs/dbraw/zinc/07/02/32/520070232.db2.gz XOROZQBLFNAYDU-CQSZACIVSA-N 1 0 270.417 2.341 10 0 CEAERO CCCN[C@H](CC[N@H+](C)[C@@H]1CCCC[C@@H]1C)C(=O)OC ZINC000062522743 520071956 /nfs/dbraw/zinc/07/19/56/520071956.db2.gz IIJQGWKUSQMWLV-RRFJBIMHSA-N 1 0 284.444 2.428 10 0 CEAERO CC[NH2+][C@@H](C)CCN1CCN(c2ccccc2F)CC1 ZINC000061275055 520072745 /nfs/dbraw/zinc/07/27/45/520072745.db2.gz DFKAFBOAVDAPCU-AWEZNQCLSA-N 1 0 279.403 2.336 10 0 CEAERO CCCCCCN(CCO)C(=O)C1(CC)CC[NH2+]CC1 ZINC000062849210 520075381 /nfs/dbraw/zinc/07/53/81/520075381.db2.gz BGRLOQOCRITYSV-UHFFFAOYSA-N 1 0 284.444 2.167 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(F)cc1OC[C@H](O)COCC ZINC000069276104 520076246 /nfs/dbraw/zinc/07/62/46/520076246.db2.gz KDPPCBAOLCSYGO-WCQYABFASA-N 1 0 285.359 2.272 10 0 CEAERO CC[NH2+][C@@H](C)c1ccccc1NC(=O)c1cc[nH]n1 ZINC000062775444 520078316 /nfs/dbraw/zinc/07/83/16/520078316.db2.gz IECLZZIVAVQIDV-JTQLQIEISA-N 1 0 258.325 2.333 10 0 CEAERO CC[NH2+][C@@H](C)c1cnn([C@@H]2CCCC[C@@H]2O)c1C ZINC000054600081 520079555 /nfs/dbraw/zinc/07/95/55/520079555.db2.gz LISHDHPLCBFZLD-GDLCADMTSA-N 1 0 251.374 2.338 10 0 CEAERO CCC[NH2+][C@H](c1cc(OC)ccc1OC)[C@@H]1COCCO1 ZINC000055300458 520089062 /nfs/dbraw/zinc/08/90/62/520089062.db2.gz UKQLMPRUAMNGLG-JKSUJKDBSA-N 1 0 295.379 2.160 10 0 CEAERO CCC[NH2+][C@H](c1ccc2c(c1)C[C@@H](C)O2)[C@@H]1COCCO1 ZINC000055300730 520090530 /nfs/dbraw/zinc/09/05/30/520090530.db2.gz XIOYMDSPUHWMAY-OAUYIBNBSA-N 1 0 291.391 2.466 10 0 CEAERO CCC[NH2+][C@H](c1ccc2c(c1)OCCO2)c1cnccn1 ZINC000055224744 520090981 /nfs/dbraw/zinc/09/09/81/520090981.db2.gz 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1 0 294.395 2.269 10 0 CEAERO CC[NH2+][C@H](C)CCCn1c2ccccc2nc(C)c1=O ZINC000052099151 520171975 /nfs/dbraw/zinc/17/19/75/520171975.db2.gz BJOLBPKFCKPLFU-GFCCVEGCSA-N 1 0 273.380 2.483 10 0 CEAERO CCCCC[N@H+](CC[C@H](NCCC)C(N)=O)C(C)C ZINC000062463162 520173976 /nfs/dbraw/zinc/17/39/76/520173976.db2.gz OQBQLBSDEJMYKQ-AWEZNQCLSA-N 1 0 271.449 2.131 10 0 CEAERO CCCNc1cccc(C(=O)N[C@@H](C[NH+](C)C)C(C)C)n1 ZINC000051071769 520174278 /nfs/dbraw/zinc/17/42/78/520174278.db2.gz MMIJXDWLVZPANZ-AWEZNQCLSA-N 1 0 292.427 2.220 10 0 CEAERO CC[NH2+][C@H](C)c1cc(C)ccc1OC[C@H](O)COCC ZINC000069275538 520176795 /nfs/dbraw/zinc/17/67/95/520176795.db2.gz VEAOPWIECVBFSK-ZIAGYGMSSA-N 1 0 281.396 2.442 10 0 CEAERO CCCNc1ccccc1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000050779261 520177561 /nfs/dbraw/zinc/17/75/61/520177561.db2.gz MDXOLLCIUCZYSF-CYBMUJFWSA-N 1 0 287.407 2.475 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(F)cc1O[C@@H]1CCOC1=O ZINC000062746957 520177547 /nfs/dbraw/zinc/17/75/47/520177547.db2.gz DWWJODCXDSYCNB-BXKDBHETSA-N 1 0 267.300 2.191 10 0 CEAERO CCCNc1ccccc1C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000050772916 520177922 /nfs/dbraw/zinc/17/79/22/520177922.db2.gz VCNVIDIKLSBPDN-CYBMUJFWSA-N 1 0 275.396 2.333 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(F)cc1O[C@@H](CC)C(N)=O ZINC000062746896 520178615 /nfs/dbraw/zinc/17/86/15/520178615.db2.gz LCYXNNUXXJMGDT-SKDRFNHKSA-N 1 0 268.332 2.139 10 0 CEAERO CC[NH2+][C@H](Cc1cnn(C)c1)c1ccc(OC)c(OC)c1 ZINC000050542312 520204266 /nfs/dbraw/zinc/20/42/66/520204266.db2.gz PUZXAKZBTJXWLU-CQSZACIVSA-N 1 0 289.379 2.331 10 0 CEAERO CC[NH2+][C@H](Cc1ccccc1OC)c1nccn1C ZINC000069473603 520204530 /nfs/dbraw/zinc/20/45/30/520204530.db2.gz QAJHNCAXIHXAET-CYBMUJFWSA-N 1 0 259.353 2.322 10 0 CEAERO CC[NH2+][C@H](c1ccccc1)[C@@H](C(C)C)S(C)(=O)=O ZINC000054930405 520209758 /nfs/dbraw/zinc/20/97/58/520209758.db2.gz QHGXJOTVFNATKR-ZIAGYGMSSA-N 1 0 269.410 2.406 10 0 CEAERO CC[NH2+][C@H](c1ccc2c(c1)CC(=O)N2C)[C@H]1CCCCO1 ZINC000050962164 520210643 /nfs/dbraw/zinc/21/06/43/520210643.db2.gz PTBZYXPJGQUPDF-NVXWUHKLSA-N 1 0 288.391 2.425 10 0 CEAERO CC[NH2+][C@H](c1ccccc1CC)[C@H]1CCS(=O)(=O)C1 ZINC000052201605 520211517 /nfs/dbraw/zinc/21/15/17/520211517.db2.gz OKESJWSZHUVVLF-ZFWWWQNUSA-N 1 0 281.421 2.334 10 0 CEAERO CC[NH2+][C@H]1CCOC[C@@H]1Oc1ccc(Cl)cc1 ZINC000049960404 520217269 /nfs/dbraw/zinc/21/72/69/520217269.db2.gz ZLOPNYOCGQERQS-STQMWFEESA-N 1 0 255.745 2.486 10 0 CEAERO CC[NH2+][C@H]1COc2cc(OCCn3ccnc3)ccc21 ZINC000062804658 520220786 /nfs/dbraw/zinc/22/07/86/520220786.db2.gz DYTYJHKJQGVIAJ-AWEZNQCLSA-N 1 0 273.336 2.005 10 0 CEAERO CC[NH2+][C@H]1COc2cc(OCCCC(=O)OC)ccc21 ZINC000062804694 520221317 /nfs/dbraw/zinc/22/13/17/520221317.db2.gz ACGLWKYSMGJDPE-ZDUSSCGKSA-N 1 0 279.336 2.062 10 0 CEAERO CC[NH2+][C@H]1COc2cc(O[C@@H]3CCCC[C@@H]3O)ccc21 ZINC000062804762 520222082 /nfs/dbraw/zinc/22/20/82/520222082.db2.gz QRGGFNPELRUORE-SOUVJXGZSA-N 1 0 277.364 2.412 10 0 CEAERO CC1(C(=O)N[C@@H]2CCOc3ccccc32)CC[NH2+]CC1 ZINC000062840236 520227684 /nfs/dbraw/zinc/22/76/84/520227684.db2.gz XGBCHXBQAHUULK-CYBMUJFWSA-N 1 0 274.364 2.016 10 0 CEAERO CCN[C@](C)(CC[N@@H+]1CCCC(C)(C)C1)C(=O)OCC ZINC000069516400 520229565 /nfs/dbraw/zinc/22/95/65/520229565.db2.gz QHSKEFCDOXYRDW-MRXNPFEDSA-N 1 0 284.444 2.430 10 0 CEAERO CC[NH2+][C@](C)(CCCOc1ccc(C)cc1OC)C(N)=O ZINC000045519960 520230059 /nfs/dbraw/zinc/23/00/59/520230059.db2.gz VTYOYTCVPPVQGD-MRXNPFEDSA-N 1 0 294.395 2.016 10 0 CEAERO CCN[C@](C)(C[C@H](C)[N@H+]1C[C@H](C)C[C@H](C)C1)C(=O)OC ZINC000068618141 520240868 /nfs/dbraw/zinc/24/08/68/520240868.db2.gz IOXKKLFNGGQGPN-KNCOVGOOSA-N 1 0 284.444 2.284 10 0 CEAERO CC[NH2+][C@](C)(C[C@H](C)Sc1ccc(OC)cc1)C(N)=O ZINC000068635827 520242827 /nfs/dbraw/zinc/24/28/27/520242827.db2.gz QGSHQZPNZRQSSD-XHDPSFHLSA-N 1 0 296.436 2.419 10 0 CEAERO CCCO[C@@H]1CCCN(C(=O)C[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC000055136853 520264087 /nfs/dbraw/zinc/26/40/87/520264087.db2.gz PPBZJPIHRNVYMU-KFWWJZLASA-N 1 0 282.428 2.312 10 0 CEAERO CCCCC[C@@H](C)[NH2+]CCSc1nncn1C ZINC000053609793 520287726 /nfs/dbraw/zinc/28/77/26/520287726.db2.gz RQCISJHOCFOTJN-LLVKDONJSA-N 1 0 256.419 2.466 10 0 CEAERO CCNc1ccc(C[N@H+](CCCO)C(C)C)cn1 ZINC000050818068 520299745 /nfs/dbraw/zinc/29/97/45/520299745.db2.gz YXVSJJPEVBSGOA-UHFFFAOYSA-N 1 0 251.374 2.106 10 0 CEAERO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[C@H](C)[C@@H]1[NH3+] ZINC000055137054 520417612 /nfs/dbraw/zinc/41/76/12/520417612.db2.gz UJYWFYYAAXHHMC-AEJSXWLSSA-N 1 0 266.307 2.161 10 0 CEAERO CC1(C)CCN(C(=O)c2cccc(CC[NH3+])c2)CC1 ZINC000061818777 520375801 /nfs/dbraw/zinc/37/58/01/520375801.db2.gz VTHBRXZDOAGRPU-UHFFFAOYSA-N 1 0 260.381 2.450 10 0 CEAERO CCCOc1cccc(C(=O)N(CC[NH3+])C(C)C)c1 ZINC000061667233 520440945 /nfs/dbraw/zinc/44/09/45/520440945.db2.gz JATNCBXIAYEHGY-UHFFFAOYSA-N 1 0 264.369 2.285 10 0 CEAERO CCCOc1ccccc1OCC[NH2+]CCCOC ZINC000053568022 520484492 /nfs/dbraw/zinc/48/44/92/520484492.db2.gz XRWIBOLWLRGPKT-UHFFFAOYSA-N 1 0 267.369 2.480 10 0 CEAERO CCO[C@H](C[NH3+])CCn1cnc2cc(C)c(C)cc21 ZINC000062741361 520517720 /nfs/dbraw/zinc/51/77/20/520517720.db2.gz ZJDFCGNNRIRUSI-ZDUSSCGKSA-N 1 0 261.369 2.407 10 0 CEAERO CCCS(=O)(=O)c1ccc(OC[C@H]2CCC[NH2+]2)cc1 ZINC000051866127 520542976 /nfs/dbraw/zinc/54/29/76/520542976.db2.gz MCVMZSAGKPYONR-GFCCVEGCSA-N 1 0 283.393 2.001 10 0 CEAERO CCOC(=O)CCC[NH2+]CCOc1ccccc1C ZINC000070247747 520656829 /nfs/dbraw/zinc/65/68/29/520656829.db2.gz CWFCECMYLJCVCH-UHFFFAOYSA-N 1 0 265.353 2.307 10 0 CEAERO CCCCNC(=O)[C@H](C)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000052396224 520669523 /nfs/dbraw/zinc/66/95/23/520669523.db2.gz VVLOFFZYZLJKPK-XJKSGUPXSA-N 1 0 274.408 2.438 10 0 CEAERO CC[NH+](CC)CCNC(=O)c1cc(C)ccc1NC ZINC000053000319 520682143 /nfs/dbraw/zinc/68/21/43/520682143.db2.gz ZDUKBWWNIKXATE-UHFFFAOYSA-N 1 0 263.385 2.108 10 0 CEAERO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc(C)ccc1N ZINC000053004263 520718146 /nfs/dbraw/zinc/71/81/46/520718146.db2.gz ZSVWVEKHBXOVKW-GFCCVEGCSA-N 1 0 263.385 2.037 10 0 CEAERO CCOc1cc(C[C@H]([NH3+])CC)ccc1O[C@H](CC)C(N)=O ZINC000061678390 520734435 /nfs/dbraw/zinc/73/44/35/520734435.db2.gz MSLNZFOPZBDAOQ-CHWSQXEVSA-N 1 0 294.395 2.008 10 0 CEAERO CCC[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)c1cccs1 ZINC000049546894 520745817 /nfs/dbraw/zinc/74/58/17/520745817.db2.gz OQPVSTKYEDQLFP-MNOVXSKESA-N 1 0 252.383 2.458 10 0 CEAERO CCCCOCCOc1ccc(OC)cc1C[NH3+] ZINC000049261410 520794131 /nfs/dbraw/zinc/79/41/31/520794131.db2.gz FHFANXVHTYLDON-UHFFFAOYSA-N 1 0 253.342 2.349 10 0 CEAERO CCOC(=O)COc1ccc(Cl)cc1[C@@H](C)[NH3+] ZINC000050209374 520803667 /nfs/dbraw/zinc/80/36/67/520803667.db2.gz OXONIGONLRSYRU-MRVPVSSYSA-N 1 0 257.717 2.302 10 0 CEAERO CCC[C@@]1(C(=O)Nc2ncc(C)s2)CC[NH2+]C1 ZINC000062889142 520944218 /nfs/dbraw/zinc/94/42/18/520944218.db2.gz GJBJMYGPLDOQPY-GFCCVEGCSA-N 1 0 253.371 2.170 10 0 CEAERO CCC[C@@]1(c2nc(CC(F)(F)F)no2)CC[NH2+]C1 ZINC000062918225 520968268 /nfs/dbraw/zinc/96/82/68/520968268.db2.gz PCNKVSXXUDNDSX-SNVBAGLBSA-N 1 0 263.263 2.206 10 0 CEAERO CCN(CC1CC1)c1nc2c(cc1C(N)=[NH2+])CCC2 ZINC000069238332 520970125 /nfs/dbraw/zinc/97/01/25/520970125.db2.gz YLUOXIPPEBEGHT-UHFFFAOYSA-N 1 0 258.369 2.091 10 0 CEAERO CCOC(=O)[C@@H](C)C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000051631368 521005544 /nfs/dbraw/zinc/00/55/44/521005544.db2.gz JSQMKCPCYYJJSY-SWLSCSKDSA-N 1 0 261.365 2.333 10 0 CEAERO CCCC[C@@H]([NH3+])C(=O)Nc1nc2c(s1)CCC2 ZINC000049547807 521074971 /nfs/dbraw/zinc/07/49/71/521074971.db2.gz GUFWIBIZUDLOTC-MRVPVSSYSA-N 1 0 253.371 2.088 10 0 CEAERO CCC[C@H](C[NH2+]C(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000052951976 521101117 /nfs/dbraw/zinc/10/11/17/521101117.db2.gz JHSWJZATGARPBL-NEPJUHHUSA-N 1 0 261.431 2.226 10 0 CEAERO CCN(CCOC)c1ccc(F)cc1C[NH2+]CCOC ZINC000062737249 521137608 /nfs/dbraw/zinc/13/76/08/521137608.db2.gz AGCVHTZQAKKMIL-UHFFFAOYSA-N 1 0 284.375 2.034 10 0 CEAERO CCN(CCOC)[C@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062710847 521138121 /nfs/dbraw/zinc/13/81/21/521138121.db2.gz MVOBRTWGXWXTRK-GFCCVEGCSA-N 1 0 276.302 2.072 10 0 CEAERO 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CC[C@@H]([NH3+])[C@@](O)(c1ccc(OC)c(F)c1)C(F)(F)F ZINC000062784660 522652270 /nfs/dbraw/zinc/65/22/70/522652270.db2.gz HDZCWOABXGQJPY-MNOVXSKESA-N 1 0 281.249 2.322 10 0 CEAERO CNc1nc2ccccc2cc1C[NH+]1CCC(O)CC1 ZINC000050792032 522688523 /nfs/dbraw/zinc/68/85/23/522688523.db2.gz ZTJLMAWINAARMZ-UHFFFAOYSA-N 1 0 271.364 2.233 10 0 CEAERO COC1CCN(c2ccc(Cl)cc2C[NH3+])CC1 ZINC000052856696 522709435 /nfs/dbraw/zinc/70/94/35/522709435.db2.gz KJLZPLFJXSPQAX-UHFFFAOYSA-N 1 0 254.761 2.414 10 0 CEAERO COc1cc(OC)c(OC)cc1C[NH2+][C@@H]1C[C@@H]1C ZINC000052269565 522826381 /nfs/dbraw/zinc/82/63/81/522826381.db2.gz UUUOACBRDQFQSP-GXSJLCMTSA-N 1 0 251.326 2.210 10 0 CEAERO CN(CC[NH+]1CCCC1)c1cc(CO)c2ccccc2n1 ZINC000063052651 522833030 /nfs/dbraw/zinc/83/30/30/522833030.db2.gz MQWOKDUPJDTTJX-UHFFFAOYSA-N 1 0 285.391 2.259 10 0 CEAERO COc1cc([C@@H](C)N[C@@H](C)CC[NH+](C)C)ccc1O ZINC000049553293 522908842 /nfs/dbraw/zinc/90/88/42/522908842.db2.gz MUOXBJYOWBBUPT-NWDGAFQWSA-N 1 0 266.385 2.392 10 0 CEAERO COCC1CC[NH+](Cc2ccc(N)c(F)c2)CC1 ZINC000070084575 522936396 /nfs/dbraw/zinc/93/63/96/522936396.db2.gz KMWXNNBBNCABOS-UHFFFAOYSA-N 1 0 252.333 2.266 10 0 CEAERO COc1cc([C@H](C)[NH3+])ccc1OCc1ncccn1 ZINC000054458266 522938051 /nfs/dbraw/zinc/93/80/51/522938051.db2.gz WXPISUUVQSHOFR-JTQLQIEISA-N 1 0 259.309 2.084 10 0 CEAERO CC[C@@H](Oc1ccc(OC)cc1C[NH2+]CC(C)C)C(N)=O ZINC000062727660 523043755 /nfs/dbraw/zinc/04/37/55/523043755.db2.gz KEQHMCCOMDNECT-CQSZACIVSA-N 1 0 294.395 2.084 10 0 CEAERO CC[C@@H](Oc1ccc(OC)cc1C[NH2+]C(C)(C)C)C(N)=O ZINC000062727573 523044180 /nfs/dbraw/zinc/04/41/80/523044180.db2.gz YHMYHOWDUFOEGV-CYBMUJFWSA-N 1 0 294.395 2.226 10 0 CEAERO COC(=O)CC[N@H+](Cc1ccccc1N)C(C)C ZINC000069318158 523068515 /nfs/dbraw/zinc/06/85/15/523068515.db2.gz UMXWITIFCOSHBV-UHFFFAOYSA-N 1 0 250.342 2.042 10 0 CEAERO COCc1ccccc1CNC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050945552 523094951 /nfs/dbraw/zinc/09/49/51/523094951.db2.gz RVRSVIHIYVKAGK-INIZCTEOSA-N 1 0 290.407 2.372 10 0 CEAERO 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OANJALKDOXZZTD-OAHLLOKOSA-N 1 0 291.351 2.193 10 0 CEAERO COc1ccc(C(=O)N[C@H]2CCCCC[C@H]2[NH3+])c(OC)c1 ZINC000063211009 523736165 /nfs/dbraw/zinc/73/61/65/523736165.db2.gz KGNUILJJUSEJHB-KGLIPLIRSA-N 1 0 292.379 2.094 10 0 CEAERO COCCN([C@@H](C)COC)[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000055023347 523781708 /nfs/dbraw/zinc/78/17/08/523781708.db2.gz RLXBEHARYJVYOS-ZFWWWQNUSA-N 1 0 293.411 2.037 10 0 CEAERO COc1ccc(C)cc1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000052943823 523801545 /nfs/dbraw/zinc/80/15/45/523801545.db2.gz MDGSWLWYHABLIC-FUNVUKJBSA-N 1 0 274.364 2.016 10 0 CEAERO COC(=O)[C@@](C)([NH3+])C[C@@H](C)n1cnc2cc(C)c(C)cc21 ZINC000068648718 523818739 /nfs/dbraw/zinc/81/87/39/523818739.db2.gz VEJZBJFIJXGFKD-WBMJQRKESA-N 1 0 289.379 2.495 10 0 CEAERO COC(=O)[C@@](C[N@H+](CC(C)C)C(C)C)(NC1CC1)C1CC1 ZINC000069147061 523822326 /nfs/dbraw/zinc/82/23/26/523822326.db2.gz CFFCWFZFXOBDHS-KRWDZBQOSA-N 1 0 296.455 2.427 10 0 CEAERO CN(C(=O)C[NH2+]CCc1ccc(Cl)cc1)C1CC1 ZINC000049305265 523826299 /nfs/dbraw/zinc/82/62/99/523826299.db2.gz VHCOFNZIKQTFQB-UHFFFAOYSA-N 1 0 266.772 2.093 10 0 CEAERO CN(C(=O)C[NH2+][C@H]1CCCc2sccc21)C1CC1 ZINC000061362057 523828180 /nfs/dbraw/zinc/82/81/80/523828180.db2.gz JFRZRDHMAMVBCN-LBPRGKRZSA-N 1 0 264.394 2.336 10 0 CEAERO CO[C@H](C(=O)NCc1cccc(C[NH3+])c1)c1ccccc1 ZINC000050436883 523829301 /nfs/dbraw/zinc/82/93/01/523829301.db2.gz JUFXZKSZCBBLIV-INIZCTEOSA-N 1 0 284.359 2.149 10 0 CEAERO COC(=O)[C@H](CC[N@H+](C)CC1CCCCC1)NC1CC1 ZINC000062526758 523898075 /nfs/dbraw/zinc/89/80/75/523898075.db2.gz QHAHSPWUAZFLAC-HNNXBMFYSA-N 1 0 282.428 2.182 10 0 CEAERO CC[C@H](C)[N@H+](CC)C[C@](NC(C)C)(C(=O)OC)C1CC1 ZINC000069097599 523933989 /nfs/dbraw/zinc/93/39/89/523933989.db2.gz VFZYJZGTOIAFIK-XJKSGUPXSA-N 1 0 284.444 2.427 10 0 CEAERO COCC[NH2+]CCCc1c(C)nc(C2CC2)nc1C ZINC000054837933 523935622 /nfs/dbraw/zinc/93/56/22/523935622.db2.gz XYSGUDAPAZBBCR-UHFFFAOYSA-N 1 0 263.385 2.139 10 0 CEAERO CC[C@H](C)N(CCOC)C(=O)CC1CCC([NH3+])CC1 ZINC000055140625 523937213 /nfs/dbraw/zinc/93/72/13/523937213.db2.gz RMSUCYLMUQLKRV-HSBZDZAISA-N 1 0 270.417 2.168 10 0 CEAERO CC[C@H](C)N(CCOC)C(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050951481 523938094 /nfs/dbraw/zinc/93/80/94/523938094.db2.gz SVNXVTDIPGJCRY-UONOGXRCSA-N 1 0 270.417 2.182 10 0 CEAERO CC[C@H](C)N(CCOC)Cc1[nH+]c(NN)ccc1Cl ZINC000061638498 523938696 /nfs/dbraw/zinc/93/86/96/523938696.db2.gz WMTWSBYDCDCTHS-JTQLQIEISA-N 1 0 286.807 2.268 10 0 CEAERO COCC[NH2+]C[C@@H]1C[C@]1(C)c1ccc(OC)c(OC)c1 ZINC000054599227 523941638 /nfs/dbraw/zinc/94/16/38/523941638.db2.gz CZWZOZAPMADQDN-XJKSGUPXSA-N 1 0 279.380 2.217 10 0 CEAERO COc1ccc(CC[NH3+])c(OCc2cccc(OC)n2)c1 ZINC000070094321 523941717 /nfs/dbraw/zinc/94/17/17/523941717.db2.gz CXYJSKXJATUNMG-UHFFFAOYSA-N 1 0 288.347 2.179 10 0 CEAERO COCC[NH2+]C[C@@H]1C[C@H]1c1cc(OC)ccc1OC ZINC000054598659 523941725 /nfs/dbraw/zinc/94/17/25/523941725.db2.gz LSCNFDJRHKJRCK-WCQYABFASA-N 1 0 265.353 2.043 10 0 CEAERO COCC[NH2+]C[C@H]1C[C@H]1c1cc(Cl)c2c(c1)OCCO2 ZINC000054598696 523944915 /nfs/dbraw/zinc/94/49/15/523944915.db2.gz KHJQUSQMAAPXOZ-NEPJUHHUSA-N 1 0 297.782 2.451 10 0 CEAERO CC[C@H](C)[NH+]1CCN(C(=O)Nc2cccc(N)c2)CC1 ZINC000055083784 523949453 /nfs/dbraw/zinc/94/94/53/523949453.db2.gz SILROEYSNUQAFA-LBPRGKRZSA-N 1 0 276.384 2.217 10 0 CEAERO COCC[NH2+]Cc1cc(F)ccc1N1CCOCC1(C)C ZINC000062737009 523950568 /nfs/dbraw/zinc/95/05/68/523950568.db2.gz PFXMRPLWDAARCC-UHFFFAOYSA-N 1 0 296.386 2.177 10 0 CEAERO CC[C@H](C)[NH+]1CCN(C(=O)c2cccc(N)c2C)CC1 ZINC000055063462 523951729 /nfs/dbraw/zinc/95/17/29/523951729.db2.gz IZJSBRLXWFDSEN-LBPRGKRZSA-N 1 0 275.396 2.134 10 0 CEAERO COCC[NH2+]Cc1cc2c(cc1OCC(C)C)OCO2 ZINC000062733980 523952139 /nfs/dbraw/zinc/95/21/39/523952139.db2.gz XVLRVQHYDPUVAX-UHFFFAOYSA-N 1 0 281.352 2.186 10 0 CEAERO COCC[NH2+]Cc1cccc(OCc2cc(C)on2)c1 ZINC000062731682 523954845 /nfs/dbraw/zinc/95/48/45/523954845.db2.gz IXYOFFNBJNJQDC-UHFFFAOYSA-N 1 0 276.336 2.298 10 0 CEAERO COCC[NH2+]Cc1ccccc1N1C[C@H](C)OC(C)(C)C1 ZINC000062738011 523955968 /nfs/dbraw/zinc/95/59/68/523955968.db2.gz NNMNQXYXAYYKIS-AWEZNQCLSA-N 1 0 292.423 2.426 10 0 CEAERO CC[C@H](C)[NH+]1CCN(Cc2ccccc2C(N)=S)CC1 ZINC000055066715 523957322 /nfs/dbraw/zinc/95/73/22/523957322.db2.gz PFIGVPRRDJJVMU-ZDUSSCGKSA-N 1 0 291.464 2.237 10 0 CEAERO COC(=O)[C@](C)(C[N@@H+]1CCCC(C)(C)C1)NC(C)C ZINC000069516827 523999124 /nfs/dbraw/zinc/99/91/24/523999124.db2.gz QIZADSYJCLAWNO-HNNXBMFYSA-N 1 0 270.417 2.038 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000050600295 524003321 /nfs/dbraw/zinc/00/33/21/524003321.db2.gz IFJVTRMLYLUULD-DZGCQCFKSA-N 1 0 260.381 2.391 10 0 CEAERO COC(=O)[C@](C[NH+]1C[C@H](C)C[C@@H](C)C1)(NC(C)C)C1CC1 ZINC000069091870 524004519 /nfs/dbraw/zinc/00/45/19/524004519.db2.gz NASOKQLIIAQGFF-CKEIUWERSA-N 1 0 296.455 2.284 10 0 CEAERO COc1ccc(C[NH3+])cc1COCC1CCOCC1 ZINC000052152994 524016501 /nfs/dbraw/zinc/01/65/01/524016501.db2.gz MPEDEQLVJDBRFX-UHFFFAOYSA-N 1 0 265.353 2.097 10 0 CEAERO CN1c2ccc([C@@H]([NH3+])C3CCOCC3)cc2CCC1=O ZINC000062806400 524033206 /nfs/dbraw/zinc/03/32/06/524033206.db2.gz NLGRGWBVMCTYFN-INIZCTEOSA-N 1 0 274.364 2.022 10 0 CEAERO COCCO[C@H](C[NH2+]C1CC1)c1ccc(F)cc1 ZINC000050495921 524034020 /nfs/dbraw/zinc/03/40/20/524034020.db2.gz BTFJMDFKLBMKAM-CQSZACIVSA-N 1 0 253.317 2.282 10 0 CEAERO COc1ccc(CN2CC[NH2+]C[C@]2(C)C2CC2)cc1OC ZINC000068696415 524034852 /nfs/dbraw/zinc/03/48/52/524034852.db2.gz XNTDZGMGBRSHIZ-QGZVFWFLSA-N 1 0 290.407 2.278 10 0 CEAERO C[NH+](C)C1CC[NH+]([C@@H]2CCCCC[C@H]2C(=O)[O-])CC1 ZINC000062752132 524040886 /nfs/dbraw/zinc/04/08/86/524040886.db2.gz XSQFUUWIDDNPNO-ZIAGYGMSSA-N 1 0 268.401 2.046 10 0 CEAERO C[NH+](C)C1CC[NH+]([C@@H]2CCCCC[C@@H]2C(=O)[O-])CC1 ZINC000062752130 524041255 /nfs/dbraw/zinc/04/12/55/524041255.db2.gz XSQFUUWIDDNPNO-UONOGXRCSA-N 1 0 268.401 2.046 10 0 CEAERO COCCOc1cccc(NC(=O)C[C@@H]2CCC[NH2+]C2)c1 ZINC000054307597 524055665 /nfs/dbraw/zinc/05/56/65/524055665.db2.gz QDKYKCDQVPOLPR-ZDUSSCGKSA-N 1 0 292.379 2.040 10 0 CEAERO COc1ccc(C[NH2+]C(C)(C)C)cc1OCCCO ZINC000062732493 524068717 /nfs/dbraw/zinc/06/87/17/524068717.db2.gz BJWAZBXKBGCEND-UHFFFAOYSA-N 1 0 267.369 2.345 10 0 CEAERO CNC(=O)CCOc1ccc(C[NH2+]C(C)(C)C)cc1OC ZINC000062731814 524069597 /nfs/dbraw/zinc/06/95/97/524069597.db2.gz GXTHFQPVLCBRAW-UHFFFAOYSA-N 1 0 294.395 2.098 10 0 CEAERO Cc1ccc(C)c(CC(=O)N[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000053144982 524093231 /nfs/dbraw/zinc/09/32/31/524093231.db2.gz PVCYTSYFMVNCJQ-CABCVRRESA-N 1 0 260.381 2.232 10 0 CEAERO Cc1cccc(-c2nnc(CN3[C@@H](C)C[NH2+]C[C@@H]3C)o2)c1 ZINC000069134221 524124238 /nfs/dbraw/zinc/12/42/38/524124238.db2.gz DHAGCDOEKHWYNT-STQMWFEESA-N 1 0 286.379 2.227 10 0 CEAERO C[C@H]1CCC[C@H](C(=O)NCc2ccc(F)cc2F)[NH2+]1 ZINC000051017940 524178509 /nfs/dbraw/zinc/17/85/09/524178509.db2.gz JKBCCNRKDUMVBQ-TVQRCGJNSA-N 1 0 268.307 2.112 10 0 CEAERO Cc1ccc(C)c(S(=O)(=O)N2C[C@H](C[NH3+])CC[C@@H]2C)c1 ZINC000070181101 524190393 /nfs/dbraw/zinc/19/03/93/524190393.db2.gz JAXUIHOSAZHIAR-KBPBESRZSA-N 1 0 296.436 2.051 10 0 CEAERO C[C@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)NCCC1CCCC1 ZINC000055130622 524203978 /nfs/dbraw/zinc/20/39/78/524203978.db2.gz QEIOYHISHVZIDB-FPMFFAJLSA-N 1 0 252.402 2.446 10 0 CEAERO Cc1cc(C)c(-c2cc(N3CC[NH2+]CC3)n[nH]2)c(C)c1 ZINC000062669882 524211722 /nfs/dbraw/zinc/21/17/22/524211722.db2.gz LAKSPFTVMWWYJV-UHFFFAOYSA-N 1 0 270.380 2.412 10 0 CEAERO COc1ccc(Cl)cc1NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000163825727 524238529 /nfs/dbraw/zinc/23/85/29/524238529.db2.gz QABARCDTORCDRQ-QMMMGPOBSA-N 1 0 268.744 2.143 10 0 CEAERO Cc1ccc(CC(=O)N2[C@H](C)C[NH2+]C[C@@H]2C)cc1C ZINC000069132642 524258430 /nfs/dbraw/zinc/25/84/30/524258430.db2.gz WUFXLABGPHTXRY-OKILXGFUSA-N 1 0 260.381 2.055 10 0 CEAERO C[C@H]1CCN(C(=O)c2ccccc2Br)C[C@@H]1[NH3+] ZINC000070145672 524272076 /nfs/dbraw/zinc/27/20/76/524272076.db2.gz JWRUHLAPHSBJRD-CABZTGNLSA-N 1 0 297.196 2.258 10 0 CEAERO Cc1cc(C)c(C[C@@H](C[NH3+])C(=O)NC2CC2)c(C)c1 ZINC000050304358 524274724 /nfs/dbraw/zinc/27/47/24/524274724.db2.gz OJAZHLJMBBXGDK-ZDUSSCGKSA-N 1 0 260.381 2.008 10 0 CEAERO C[C@@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)NCCC1CCCC1 ZINC000055130623 524302374 /nfs/dbraw/zinc/30/23/74/524302374.db2.gz QEIOYHISHVZIDB-MRVWCRGKSA-N 1 0 252.402 2.446 10 0 CEAERO C[C@H](C[NH+]1CCCC1)Nc1nc(Cl)nc(Cl)n1 ZINC000061518641 524321592 /nfs/dbraw/zinc/32/15/92/524321592.db2.gz IKHIYNKJHUPATJ-SSDOTTSWSA-N 1 0 276.171 2.075 10 0 CEAERO Cc1cccc(CCC(=O)N2[C@H]3C[NH2+]C[C@H]3C[C@@H]2C)c1 ZINC000051986067 524349240 /nfs/dbraw/zinc/34/92/40/524349240.db2.gz LJRLENAZYFERIF-IMJJTQAJSA-N 1 0 272.392 2.136 10 0 CEAERO C[C@H]1CC[C@H](CNC(=O)CCC2CCCC2)C[NH2+]1 ZINC000062036602 524407386 /nfs/dbraw/zinc/40/73/86/524407386.db2.gz GKUPPQCZGJJPBB-JSGCOSHPSA-N 1 0 252.402 2.461 10 0 CEAERO C[C@H]1CC[C@H](NC(=O)[C@H]([NH3+])Cc2ccccc2)C[C@@H]1C ZINC000068584385 524420184 /nfs/dbraw/zinc/42/01/84/524420184.db2.gz HJGKAPSRVGIPBJ-DARAHFNDSA-N 1 0 274.408 2.497 10 0 CEAERO COc1ccccc1CN(C)c1ccnc(C(N)=[NH2+])c1 ZINC000061814185 524437027 /nfs/dbraw/zinc/43/70/27/524437027.db2.gz CZWDFKPTEDKGIB-UHFFFAOYSA-N 1 0 270.336 2.011 10 0 CEAERO Cc1cc(C)cc(OCCCC[C@](C)([NH3+])C(N)=O)c1 ZINC000045516194 524442563 /nfs/dbraw/zinc/44/25/63/524442563.db2.gz KWWRENQBMLYVFP-HNNXBMFYSA-N 1 0 264.369 2.055 10 0 CEAERO C[C@@H](CC[NH+](C)C)n1c(N)cc2ccccc2c1=O ZINC000049559824 524481335 /nfs/dbraw/zinc/48/13/35/524481335.db2.gz LACIAVMRVCCPEQ-NSHDSACASA-N 1 0 259.353 2.096 10 0 CEAERO C[C@@H]1CC[C@@H](C(=O)NCC2CCCCC2)C[C@@H]1[NH3+] ZINC000055127142 524557567 /nfs/dbraw/zinc/55/75/67/524557567.db2.gz MOCVGQXEDTVEFB-BNOWGMLFSA-N 1 0 252.402 2.446 10 0 CEAERO C[C@@H](C[NH3+])C(=O)N1CCc2sccc2[C@@H]1C1CC1 ZINC000054340803 524580110 /nfs/dbraw/zinc/58/01/10/524580110.db2.gz UYVUQOHOGHZUIZ-ZANVPECISA-N 1 0 264.394 2.179 10 0 CEAERO C[C@@H](C[NH+]1CCCC1)N[C@H](c1ccco1)c1nccn1C ZINC000049150907 524595920 /nfs/dbraw/zinc/59/59/20/524595920.db2.gz DEDBYCSVBNGOMI-DZGCQCFKSA-N 1 0 288.395 2.176 10 0 CEAERO Cc1cc(C)nc(SCC[NH2+][C@H](C)[C@H]2CCCO2)n1 ZINC000053624016 524599448 /nfs/dbraw/zinc/59/94/48/524599448.db2.gz QYIKOYGJDQLPMV-CHWSQXEVSA-N 1 0 281.425 2.343 10 0 CEAERO Cc1cc(C)nc(SCC[NH2+][C@H](C)[C@@H]2CCCO2)n1 ZINC000053624014 524599579 /nfs/dbraw/zinc/59/95/79/524599579.db2.gz QYIKOYGJDQLPMV-OLZOCXBDSA-N 1 0 281.425 2.343 10 0 CEAERO C[C@@H](CN1CCCCC1)[NH2+]CC(=O)Nc1ccccc1F ZINC000049501827 524604281 /nfs/dbraw/zinc/60/42/81/524604281.db2.gz ZDOSOENTJGMPKS-ZDUSSCGKSA-N 1 0 293.386 2.228 10 0 CEAERO C[C@H](C[C@@](C)(NC1CC1)C(N)=O)[N@H+](C)C1CCCCCC1 ZINC000068627007 524630260 /nfs/dbraw/zinc/63/02/60/524630260.db2.gz XPFHLXNEFSTVAA-CXAGYDPISA-N 1 0 295.471 2.416 10 0 CEAERO C[C@@H](CN1CCOCC1)[NH2+][C@H]1CCCC[C@@H]1C(F)(F)F ZINC000069389969 524630629 /nfs/dbraw/zinc/63/06/29/524630629.db2.gz QDBMXUBDHPNVSV-AVGNSLFASA-N 1 0 294.361 2.418 10 0 CEAERO C[C@H]1CN(Cc2cn(C)nc2C2CCCCC2)C[C@@H]1[NH3+] ZINC000262023667 524639675 /nfs/dbraw/zinc/63/96/75/524639675.db2.gz NJFLHNNVLCZPJB-WFASDCNBSA-N 1 0 276.428 2.247 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C)N1C(=O)CCc1c[nH]c2ccccc12 ZINC000069133188 524698025 /nfs/dbraw/zinc/69/80/25/524698025.db2.gz LSXAMXMNMWTDCK-STQMWFEESA-N 1 0 285.391 2.309 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C)N1C(=O)c1ccccc1OC(F)F ZINC000069132570 524698660 /nfs/dbraw/zinc/69/86/60/524698660.db2.gz UHZCQLLOMBDWFX-UWVGGRQHSA-N 1 0 284.306 2.110 10 0 CEAERO C[C@H](Cc1ccsc1)[NH2+][C@@H]1CN2CCC1CC2 ZINC000049155897 524764377 /nfs/dbraw/zinc/76/43/77/524764377.db2.gz RPRIWZNOTFCWTD-BXUZGUMPSA-N 1 0 250.411 2.363 10 0 CEAERO Cc1ccc(F)c(C(=O)N[C@@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000052981608 524794692 /nfs/dbraw/zinc/79/46/92/524794692.db2.gz IKCXHXQXENJRBS-FZMZJTMJSA-N 1 0 264.344 2.395 10 0 CEAERO Cc1cc(C[C@@H](C)[NH3+])nc(COc2ccccc2)n1 ZINC000054835058 524818996 /nfs/dbraw/zinc/81/89/96/524818996.db2.gz XUDFRRDEAHSRRN-LLVKDONJSA-N 1 0 257.337 2.254 10 0 CEAERO C[C@@H]1CN(C(=O)c2c(F)cccc2Cl)[C@@H](C)C[NH2+]1 ZINC000062665705 524849973 /nfs/dbraw/zinc/84/99/73/524849973.db2.gz NDOYRQPLCYHOJH-BDAKNGLRSA-N 1 0 270.735 2.302 10 0 CEAERO C[C@H]1C[C@@H]1[NH2+]CC(=O)Nc1cccc(Br)c1 ZINC000052287810 524852046 /nfs/dbraw/zinc/85/20/46/524852046.db2.gz GNJFQJGUXBUDNU-KWQFWETISA-N 1 0 283.169 2.386 10 0 CEAERO C[C@@H](C[C@H](C[NH3+])N(C)Cc1nccn1C)c1ccccc1 ZINC000062249624 524852217 /nfs/dbraw/zinc/85/22/17/524852217.db2.gz HRBAQZBKDQIWGT-GOEBONIOSA-N 1 0 286.423 2.373 10 0 CEAERO C[C@H]([NH3+])[C@H](Sc1ncnc2[nH]cnc21)c1ccco1 ZINC000051036153 524854342 /nfs/dbraw/zinc/85/43/42/524854342.db2.gz JXFGZTHTALJEQA-XVKPBYJWSA-N 1 0 275.337 2.127 10 0 CEAERO C[C@@H](C[C@](C)([NH3+])C(N)=O)Oc1cccc(C(C)(C)C)c1 ZINC000068657524 524863540 /nfs/dbraw/zinc/86/35/40/524863540.db2.gz RMABWROKANZSQE-ZBEGNZNMSA-N 1 0 278.396 2.344 10 0 CEAERO C[C@H]([NH3+])c1cnc(N(C)Cc2cscn2)s1 ZINC000054896580 524868997 /nfs/dbraw/zinc/86/89/97/524868997.db2.gz APDUHJYUOJMQIU-ZETCQYMHSA-N 1 0 254.384 2.256 10 0 CEAERO C[C@H]1C[C@H]1[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000052273315 524963861 /nfs/dbraw/zinc/96/38/61/524963861.db2.gz SXDSUANJNZYROY-CMPLNLGQSA-N 1 0 254.374 2.384 10 0 CEAERO COc1nc(N(C)C)sc1C[NH2+]CCCSC ZINC000069432808 524976372 /nfs/dbraw/zinc/97/63/72/524976372.db2.gz WBLRGZSVXUKOIG-UHFFFAOYSA-N 1 0 275.443 2.060 10 0 CEAERO COc1ccc(O[C@@H](C)C[C@@](C)([NH2+]C(C)C)C(N)=O)cc1 ZINC000068656840 524982662 /nfs/dbraw/zinc/98/26/62/524982662.db2.gz JZQZGVMBSXTVAO-BLLLJJGKSA-N 1 0 294.395 2.095 10 0 CEAERO COc1ccc(O[C@H]2CCOC2=O)c(C[NH2+]CC(C)C)c1 ZINC000062727643 524989947 /nfs/dbraw/zinc/98/99/47/524989947.db2.gz YIQBWDSQBNOFBF-HNNXBMFYSA-N 1 0 293.363 2.135 10 0 CEAERO C[C@@H]([NH3+])Cc1nc(C2(c3ccccc3)CCOCC2)no1 ZINC000062783224 525000285 /nfs/dbraw/zinc/00/02/85/525000285.db2.gz SCJHXRKZLRNLMA-GFCCVEGCSA-N 1 0 287.363 2.056 10 0 CEAERO Cc1cc(F)ccc1[C@@H](C[NH3+])N1CCSCC1 ZINC000050578342 525002726 /nfs/dbraw/zinc/00/27/26/525002726.db2.gz FPQZMCUPVFZCNN-CYBMUJFWSA-N 1 0 254.374 2.183 10 0 CEAERO C[C@@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C1CC1)c1cccs1 ZINC000061594597 525003609 /nfs/dbraw/zinc/00/36/09/525003609.db2.gz SINLIUIAUUQMKJ-GMSGAONNSA-N 1 0 296.421 2.148 10 0 CEAERO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)CC[C@@H]1CCCCO1 ZINC000069399160 525005549 /nfs/dbraw/zinc/00/55/49/525005549.db2.gz NYJOLDGFMKTISJ-RDBSUJKOSA-N 1 0 268.401 2.064 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1ccccn1)N1CCOc2ccccc2C1 ZINC000063012304 525007046 /nfs/dbraw/zinc/00/70/46/525007046.db2.gz MZRUMJLTSPJCDM-DYVFJYSZSA-N 1 0 283.375 2.365 10 0 CEAERO Cc1cc(F)ccc1[C@H](C[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000050578099 525009327 /nfs/dbraw/zinc/00/93/27/525009327.db2.gz BAQJVUNCTGXJLF-ZOWXZIJZSA-N 1 0 266.360 2.243 10 0 CEAERO C[C@@H]([NH3+])[C@@](O)(c1ccccc1Cl)C(F)(F)F ZINC000062784754 525013832 /nfs/dbraw/zinc/01/38/32/525013832.db2.gz IUIMTKDSDKFNOE-HZGVNTEJSA-N 1 0 253.651 2.437 10 0 CEAERO C[C@@H]([NH3+])[C@@](O)(c1cc(F)ccc1F)C(F)(F)F ZINC000062784616 525015131 /nfs/dbraw/zinc/01/51/31/525015131.db2.gz DOWMMUVALXMRSD-MLUIRONXSA-N 1 0 255.186 2.062 10 0 CEAERO COc1ncccc1C(=O)N(CCC[NH3+])C1CCCCC1 ZINC000061442319 525035167 /nfs/dbraw/zinc/03/51/67/525035167.db2.gz NSZQYLTZUZPFCS-UHFFFAOYSA-N 1 0 291.395 2.214 10 0 CEAERO Cc1cc(N2CCC[C@@H](C[NH3+])C2)ncc1Br ZINC000163917455 525066471 /nfs/dbraw/zinc/06/64/71/525066471.db2.gz XLUFNTGEAHJCOW-JTQLQIEISA-N 1 0 284.201 2.328 10 0 CEAERO C[C@@H]1CN(c2cccc(Cl)c2C(N)=[NH2+])C[C@H](C)O1 ZINC000052904569 525067593 /nfs/dbraw/zinc/06/75/93/525067593.db2.gz ORZBYLOCKMCXDM-DTORHVGOSA-N 1 0 267.760 2.238 10 0 CEAERO CS(=O)(=O)CCC[C@H]([NH3+])c1ccc(Cl)cc1F ZINC000063017450 525119956 /nfs/dbraw/zinc/11/99/56/525119956.db2.gz UWEGMRFBWUQBMC-NSHDSACASA-N 1 0 279.764 2.304 10 0 CEAERO CS(=O)(=O)CCC[C@@H]1CCc2ccccc2[C@@H]1[NH3+] ZINC000063015827 525120735 /nfs/dbraw/zinc/12/07/35/525120735.db2.gz WAXYWQWJTZWTMQ-TZMCWYRMSA-N 1 0 267.394 2.074 10 0 CEAERO COc1ccc([C@@H](C)[NH3+])cc1Cn1ccc(C)cc1=O ZINC000061909092 525129030 /nfs/dbraw/zinc/12/90/30/525129030.db2.gz CMROBQXQIFPGGJ-GFCCVEGCSA-N 1 0 272.348 2.233 10 0 CEAERO CS(=O)(=O)C[C@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000069693708 525138128 /nfs/dbraw/zinc/13/81/28/525138128.db2.gz VQCIAPZEAWIUFU-VIFPVBQESA-N 1 0 268.165 2.038 10 0 CEAERO Cc1ccccc1CSC[C@@](C)([NH2+]C1CC1)C(N)=O ZINC000054964703 525183865 /nfs/dbraw/zinc/18/38/65/525183865.db2.gz TXVGJYUIKZNGKQ-OAHLLOKOSA-N 1 0 278.421 2.224 10 0 CEAERO COc1ccc([C@@H](O)C[NH2+][C@@]2(CO)CCC[C@@H](C)C2)cc1 ZINC000053125951 525206966 /nfs/dbraw/zinc/20/69/66/525206966.db2.gz LXVFBNGASGZASH-COXVUDFISA-N 1 0 293.407 2.259 10 0 CEAERO COc1ccc([C@@H](O)[C@@H]([NH3+])Cc2ccccc2)c(OC)c1 ZINC000054686254 525208714 /nfs/dbraw/zinc/20/87/14/525208714.db2.gz JMCYIFZVBPAFQN-DOTOQJQBSA-N 1 0 287.359 2.307 10 0 CEAERO CS(=O)(=O)[C@@H](c1ccccc1)[C@@H]([NH3+])Cc1ccccc1 ZINC000054930071 525231010 /nfs/dbraw/zinc/23/10/10/525231010.db2.gz HNQWEKPDGGIRND-HOTGVXAUSA-N 1 0 289.400 2.342 10 0 CEAERO Cc1cc(NC[C@H](C)C[NH3+])ncc1Br ZINC000164039644 525276268 /nfs/dbraw/zinc/27/62/68/525276268.db2.gz KYQLNRZTUXWROZ-SSDOTTSWSA-N 1 0 258.163 2.159 10 0 CEAERO Cc1ccccc1[C@H](C[NH3+])Sc1ncnc2[nH]cnc21 ZINC000051035984 525423259 /nfs/dbraw/zinc/42/32/59/525423259.db2.gz HVWRVLDSAJFRLF-NSHDSACASA-N 1 0 285.376 2.453 10 0 CEAERO COc1ccc([C@H]2[C@@H]([NH3+])CC(=O)N2C(C)C)cc1C ZINC000070293598 525434248 /nfs/dbraw/zinc/43/42/48/525434248.db2.gz LTZFWSUOYRHPOG-WFASDCNBSA-N 1 0 262.353 2.013 10 0 CEAERO Cc1ccc(OC[C@]([NH2+]C2CC2)(C(N)=O)C2CC2)cc1C ZINC000069197330 525443534 /nfs/dbraw/zinc/44/35/34/525443534.db2.gz WXZBACWJBSOFRB-QGZVFWFLSA-N 1 0 288.391 2.068 10 0 CEAERO COc1ccc([C@]2(C)C[C@@H]([NH3+])CCO2)c(OC)c1 ZINC000070341505 525444925 /nfs/dbraw/zinc/44/49/25/525444925.db2.gz RJVOWNPYPOHVCM-HZMBPMFUSA-N 1 0 251.326 2.057 10 0 CEAERO Cc1nc[nH]c1C[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000054795434 525463023 /nfs/dbraw/zinc/46/30/23/525463023.db2.gz NTHHCJBSAIONOL-HNNXBMFYSA-N 1 0 270.380 2.082 10 0 CEAERO Cc1cccn2cc(C[N@@H+]3CCC[C@H]3CCCO)nc12 ZINC000052763070 525469882 /nfs/dbraw/zinc/46/98/82/525469882.db2.gz OKTFQOYDRMXQQP-HNNXBMFYSA-N 1 0 273.380 2.380 10 0 CEAERO CSCCC[NH2+]Cc1[nH]nnc1-c1ccccc1 ZINC000069433737 525477308 /nfs/dbraw/zinc/47/73/08/525477308.db2.gz JHEXLLZFEOSQMR-UHFFFAOYSA-N 1 0 262.382 2.314 10 0 CEAERO CSCCC[NH2+]C[C@H](O)CO[C@@H](C)CC(C)C ZINC000069446386 525477558 /nfs/dbraw/zinc/47/75/58/525477558.db2.gz VQUDKACIZBYCKL-STQMWFEESA-N 1 0 263.447 2.141 10 0 CEAERO Cc1cccnc1N(CCC[NH3+])Cc1cccnc1 ZINC000051040714 525533347 /nfs/dbraw/zinc/53/33/47/525533347.db2.gz WILJYTWCUQHADH-UHFFFAOYSA-N 1 0 256.353 2.140 10 0 CEAERO CSC[C@@H](C)C[NH2+]Cc1cnc2c(c1)c(C)nn2C ZINC000069439462 525624174 /nfs/dbraw/zinc/62/41/74/525624174.db2.gz ZRSPVYGNXGHRMA-JTQLQIEISA-N 1 0 278.425 2.365 10 0 CEAERO CSC[C@H](C)C[NH2+]C[C@H](O)c1ccc2c(c1)OCCO2 ZINC000069447838 525680504 /nfs/dbraw/zinc/68/05/04/525680504.db2.gz PWYSZNYHBZIWMI-YPMHNXCESA-N 1 0 297.420 2.080 10 0 CEAERO CSC[C@H](C)C[NH2+]C[C@@H](O)COCc1ccccc1 ZINC000069447339 525680547 /nfs/dbraw/zinc/68/05/47/525680547.db2.gz LCXRUSQWHZBUNU-UKRRQHHQSA-N 1 0 283.437 2.153 10 0 CEAERO CSC[C@H](C)C[NH2+]CC(=O)N1CCc2sccc2C1 ZINC000069447182 525680880 /nfs/dbraw/zinc/68/08/80/525680880.db2.gz QOQFNIFOPIIGJO-LLVKDONJSA-N 1 0 298.477 2.222 10 0 CEAERO CSC[C@H](C)C[NH2+]CC(=O)Nc1ccc(F)cc1 ZINC000069447610 525681637 /nfs/dbraw/zinc/68/16/37/525681637.db2.gz YEKKJJQOWQJGAV-SNVBAGLBSA-N 1 0 270.373 2.353 10 0 CEAERO Cc1cc2ncnn2c(NCc2ccc(CC[NH3+])cc2)c1 ZINC000052899424 525685744 /nfs/dbraw/zinc/68/57/44/525685744.db2.gz QFOLWWPUNFDTIT-UHFFFAOYSA-N 1 0 281.363 2.151 10 0 CEAERO C[C@@]([NH3+])(c1nnc2n1CCCCC2)c1ccccc1 ZINC000052879290 525751490 /nfs/dbraw/zinc/75/14/90/525751490.db2.gz URFJTNUDCRQVRI-HNNXBMFYSA-N 1 0 256.353 2.227 10 0 CEAERO Cc1c(Cl)cccc1OCC(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000158014701 525782343 /nfs/dbraw/zinc/78/23/43/525782343.db2.gz RNHDZEOOGTYHQJ-AAEUAGOBSA-N 1 0 296.798 2.271 10 0 CEAERO C[C@@]1(c2ccccc2)C[NH2+]CCN1CCCn1ccnc1 ZINC000068696521 525902796 /nfs/dbraw/zinc/90/27/96/525902796.db2.gz CBJQWQRSTOQNSM-KRWDZBQOSA-N 1 0 284.407 2.094 10 0 CEAERO Cc1cn2c(CN[C@H](C)CC[NH+](C)C)c(C)nc2s1 ZINC000049553915 525916275 /nfs/dbraw/zinc/91/62/75/525916275.db2.gz QCXSNQHSMSJTPW-SNVBAGLBSA-N 1 0 280.441 2.442 10 0 CEAERO C[C@H](Oc1ccc(Cl)cc1C[NH2+]C(C)(C)C)C(N)=O ZINC000062730780 525931294 /nfs/dbraw/zinc/93/12/94/525931294.db2.gz BGRGIIPZMGDIKA-VIFPVBQESA-N 1 0 284.787 2.481 10 0 CEAERO Cc1ccc(=O)n(C[C@@H]([NH3+])c2ccc3ccccc3c2)n1 ZINC000061810451 525976482 /nfs/dbraw/zinc/97/64/82/525976482.db2.gz SUAUTJYLYYKOJF-MRXNPFEDSA-N 1 0 279.343 2.405 10 0 CEAERO Cc1cnc(C)c(N2CCCC[C@H]2C[NH2+]C2CC2)n1 ZINC000053699953 525984227 /nfs/dbraw/zinc/98/42/27/525984227.db2.gz QPIUFBWCCZWPJF-AWEZNQCLSA-N 1 0 260.385 2.204 10 0 CEAERO Cc1cc(-c2nnc(CCC[NH3+])o2)c2ccccc2n1 ZINC000050283604 526056639 /nfs/dbraw/zinc/05/66/39/526056639.db2.gz LHTYMUKVFFNLCY-UHFFFAOYSA-N 1 0 268.320 2.485 10 0 CEAERO C[C@@H](c1cccc(F)c1)n1nnnc1C[NH2+]C(C)(C)C ZINC000054747625 526072684 /nfs/dbraw/zinc/07/26/84/526072684.db2.gz SYLKTJVIWBUAAC-JTQLQIEISA-N 1 0 277.347 2.310 10 0 CEAERO Cc1ccc(C(=O)N2[C@@H](C[NH3+])CCC[C@@H]2C)cc1F ZINC000070152004 526141736 /nfs/dbraw/zinc/14/17/36/526141736.db2.gz URSYHBBJJZNONQ-WCQYABFASA-N 1 0 264.344 2.476 10 0 CEAERO C[C@H](c1cccs1)N(C)CC[NH2+]C[C@@H]1CCOC1 ZINC000053431742 526154041 /nfs/dbraw/zinc/15/40/41/526154041.db2.gz FZQXNFHOBGGIOC-OLZOCXBDSA-N 1 0 268.426 2.367 10 0 CEAERO COc1cccc(N2CC[NH+]([C@H](C)CC(C)=O)CC2)c1 ZINC000068610307 526154873 /nfs/dbraw/zinc/15/48/73/526154873.db2.gz ZAAZYGAPNGIIRN-CYBMUJFWSA-N 1 0 276.380 2.185 10 0 CEAERO COc1cccc(NC(=O)C[NH2+]C[C@H](C)CSC)c1 ZINC000069447435 526176559 /nfs/dbraw/zinc/17/65/59/526176559.db2.gz SYDIYBZGXLCTHR-NSHDSACASA-N 1 0 282.409 2.222 10 0 CEAERO C[C@H](C1CC1)N(CC(F)(F)F)C(=O)[C@]1(C)CC[NH2+]C1 ZINC000062894952 526204724 /nfs/dbraw/zinc/20/47/24/526204724.db2.gz NHFHCCUKBXFVCT-BXKDBHETSA-N 1 0 278.318 2.175 10 0 CEAERO C[C@H]1CC=CC[C@H]1COCC[NH2+]C1CCOCC1 ZINC000062768044 526237224 /nfs/dbraw/zinc/23/72/24/526237224.db2.gz JAUSTVKOOOZBAM-KBPBESRZSA-N 1 0 253.386 2.374 10 0 CEAERO Cc1cc(C(=O)N2C[C@H](C[NH3+])CC[C@@H]2C)c(C)o1 ZINC000070180512 526262559 /nfs/dbraw/zinc/26/25/59/526262559.db2.gz BULJCJJPYDNBGD-CABZTGNLSA-N 1 0 250.342 2.096 10 0 CEAERO Cc1cc(C(=O)N2[C@H](C)C[NH2+]C[C@H]2C)c2ccccc2n1 ZINC000069133354 526263229 /nfs/dbraw/zinc/26/32/29/526263229.db2.gz HTJZINOSOCNWBO-CHWSQXEVSA-N 1 0 283.375 2.366 10 0 CEAERO O=C([O-])[C@@H]1CCCC[C@@H]1[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062756978 526270334 /nfs/dbraw/zinc/27/03/34/526270334.db2.gz MKSATQPMYHUWPP-CVEARBPZSA-N 1 0 294.439 2.438 10 0 CEAERO O[C@H](C[NH2+]C1CCC1)COc1cccc(Cl)c1 ZINC000052209638 526275908 /nfs/dbraw/zinc/27/59/08/526275908.db2.gz BIISKGBPWZEMJZ-GFCCVEGCSA-N 1 0 255.745 2.222 10 0 CEAERO Cc1nn(CCCC[C@](C)([NH2+]C(C)C)C(N)=O)c(C)c1C ZINC000045438064 526280203 /nfs/dbraw/zinc/28/02/03/526280203.db2.gz BOGGVUGIASDWSP-INIZCTEOSA-N 1 0 294.443 2.221 10 0 CEAERO Cc1nn(C[C@H]2CC[C@@H](C[NH2+]C(C)C)O2)c(C)c1C ZINC000052591640 526286343 /nfs/dbraw/zinc/28/63/43/526286343.db2.gz LBCRKMNHMUAWNK-LSDHHAIUSA-N 1 0 265.401 2.354 10 0 CEAERO Cc1nn([C@@H](C[NH3+])c2ccccn2)c(C)c1Cl ZINC000050585985 526302503 /nfs/dbraw/zinc/30/25/03/526302503.db2.gz FYAARRKMEODVEH-NSHDSACASA-N 1 0 250.733 2.096 10 0 CEAERO Fc1ccc(-c2nnc(CC[NH2+]C3CC3)o2)c(F)c1 ZINC000050620330 526316708 /nfs/dbraw/zinc/31/67/08/526316708.db2.gz NRMMGKYICJOMED-UHFFFAOYSA-N 1 0 265.263 2.309 10 0 CEAERO Cc1csc(Cc2noc(C3([NH3+])CCCC3)n2)n1 ZINC000055266449 526369045 /nfs/dbraw/zinc/36/90/45/526369045.db2.gz BTNBJLPSDMGKIV-UHFFFAOYSA-N 1 0 264.354 2.153 10 0 CEAERO S=C1N=NC(C2CC2)N1[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000049569244 526389619 /nfs/dbraw/zinc/38/96/19/526389619.db2.gz ROWVWDBBCFKATK-QWRGUYRKSA-N 1 0 264.398 2.244 10 0 CEAERO c1ccc(C[C@H]2CN(Cc3cccnc3)CC[NH2+]2)cc1 ZINC000068694686 526477108 /nfs/dbraw/zinc/47/71/08/526477108.db2.gz WGISEHDHIZRXLV-KRWDZBQOSA-N 1 0 267.376 2.098 10 0 CEAERO O=C(CC[N@@H+]1CCCOCC1)c1cccc(F)c1 ZINC000061934083 526484910 /nfs/dbraw/zinc/48/49/10/526484910.db2.gz JHBZPWWKBXNZFO-UHFFFAOYSA-N 1 0 251.301 2.121 10 0 CEAERO c1ccn2c(c1)nnc2SCCC[C@@H]1CCC[NH2+]1 ZINC000061407755 526521535 /nfs/dbraw/zinc/52/15/35/526521535.db2.gz BDKDRINBLPIAHW-NSHDSACASA-N 1 0 262.382 2.354 10 0 CEAERO c1coc(-c2nc(CN3CCC[C@@H]3[C@@H]3CCC[NH2+]3)no2)c1 ZINC000051359724 526561997 /nfs/dbraw/zinc/56/19/97/526561997.db2.gz XVCYJFWWBAOFMO-NWDGAFQWSA-N 1 0 288.351 2.046 10 0 CEAERO c1csc(-c2n[nH]c(CC[C@H]3CCC[NH2+]C3)n2)c1 ZINC000054700138 526574678 /nfs/dbraw/zinc/57/46/78/526574678.db2.gz JRPATINEOWXWFR-SNVBAGLBSA-N 1 0 262.382 2.465 10 0 CEAERO c1nn(CC[NH2+]C[C@@H]2CCCO2)cc1-c1ccccc1 ZINC000054962380 526619404 /nfs/dbraw/zinc/61/94/04/526619404.db2.gz HGKSDEHQEZXGLB-INIZCTEOSA-N 1 0 271.364 2.319 10 0 CEAERO c1nnc(CC[C@H]2CCC[NH2+]C2)n1-c1ccccc1 ZINC000054526859 526622334 /nfs/dbraw/zinc/62/23/34/526622334.db2.gz PGGGUWVRQTZFHL-CYBMUJFWSA-N 1 0 256.353 2.200 10 0 CEAERO Cc1nc(C)n(Cc2oc3ccccc3c2C[NH3+])n1 ZINC000052574429 526765218 /nfs/dbraw/zinc/76/52/18/526765218.db2.gz BPQHTIGWRQPTDU-UHFFFAOYSA-N 1 0 256.309 2.148 10 0 CEAERO NC(=[NH2+])c1ccc(Cl)cc1OC1CCOCC1 ZINC000062789181 526821799 /nfs/dbraw/zinc/82/17/99/526821799.db2.gz UWOZRHGLYVEAQW-UHFFFAOYSA-N 1 0 254.717 2.182 10 0 CEAERO NC(=[NH2+])c1ncccc1Cn1ccnc1-c1cccs1 ZINC000061658477 526825044 /nfs/dbraw/zinc/82/50/44/526825044.db2.gz URWIUBJKHMILEX-UHFFFAOYSA-N 1 0 283.360 2.339 10 0 CEAERO NC(=[NH2+])c1ncccc1COc1cccc(F)c1F ZINC000062615566 526825585 /nfs/dbraw/zinc/82/55/85/526825585.db2.gz GFUPJKCZMDCVJT-UHFFFAOYSA-N 1 0 263.247 2.223 10 0 CEAERO O=C(c1ccsc1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063189593 526861725 /nfs/dbraw/zinc/86/17/25/526861725.db2.gz YHXVBPUJFMZNQQ-QWHCGFSZSA-N 1 0 264.394 2.495 10 0 CEAERO Cc1nc(Cc2cccc(F)c2)nc(C)c1CC[NH3+] ZINC000054836691 526928078 /nfs/dbraw/zinc/92/80/78/526928078.db2.gz KLBQJYCATOPAIF-UHFFFAOYSA-N 1 0 259.328 2.325 10 0 CEAERO Clc1ccc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)nn1 ZINC000049568903 526956442 /nfs/dbraw/zinc/95/64/42/526956442.db2.gz JNZTXTKWZHUVGA-VHSXEESVSA-N 1 0 252.749 2.169 10 0 CEAERO O=C1COc2ccc(Cl)cc2N1CCC[NH2+]C1CC1 ZINC000048785019 527015519 /nfs/dbraw/zinc/01/55/19/527015519.db2.gz OOORBABTUCJJJC-UHFFFAOYSA-N 1 0 280.755 2.208 10 0 CEAERO NC(=O)c1ccc(Cl)cc1N[C@H]1CCCC[C@@H]1[NH3+] ZINC000062785779 527053643 /nfs/dbraw/zinc/05/36/43/527053643.db2.gz ABJUVXRYQNNRSV-QWRGUYRKSA-N 1 0 267.760 2.121 10 0 CEAERO O=C(N[C@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1(c2ccccc2)CC1 ZINC000061617619 527068811 /nfs/dbraw/zinc/06/88/11/527068811.db2.gz JLHICVYQOHNVNO-LZWOXQAQSA-N 1 0 284.403 2.223 10 0 CEAERO Cc1nc2ccccc2n1Cc1ccc[nH+]c1NN ZINC000052726301 527172049 /nfs/dbraw/zinc/17/20/49/527172049.db2.gz ZCRKDSZJDICMNE-UHFFFAOYSA-N 1 0 253.309 2.074 10 0 CEAERO CC(=O)c1c(F)cccc1NC[C@H](O)C[NH+]1CCCCC1 ZINC000174684309 527176598 /nfs/dbraw/zinc/17/65/98/527176598.db2.gz SPZCQCMUODNIDH-ZDUSSCGKSA-N 1 0 294.370 2.287 10 0 CEAERO O=S(=O)(C[C@@H]1CCC[NH2+]1)Nc1cccc2c1CCCC2 ZINC000049640756 527182925 /nfs/dbraw/zinc/18/29/25/527182925.db2.gz GCDJYGQSALMEBQ-ZDUSSCGKSA-N 1 0 294.420 2.059 10 0 CEAERO [NH3+]C[C@@H](C(=O)NC[C@@H]1CC=CCC1)c1ccccc1 ZINC000061613187 527200581 /nfs/dbraw/zinc/20/05/81/527200581.db2.gz XWQNXPHLWODXLY-UKRRQHHQSA-N 1 0 258.365 2.201 10 0 CEAERO [NH3+]C[C@@H](c1nncn1C1CCCC1)c1ccccc1 ZINC000061609639 527208029 /nfs/dbraw/zinc/20/80/29/527208029.db2.gz IEIRKUOUCVBOAZ-CQSZACIVSA-N 1 0 256.353 2.484 10 0 CEAERO [NH3+]C[C@H](Oc1cc(F)cc(F)c1)c1cccnc1 ZINC000054932443 527229325 /nfs/dbraw/zinc/22/93/25/527229325.db2.gz AEPPRWRZSVHEIC-ZDUSSCGKSA-N 1 0 250.248 2.439 10 0 CEAERO [NH3+]C[C@H](c1cccc(Cl)c1)N1CCn2ccnc2C1 ZINC000062245956 527229901 /nfs/dbraw/zinc/22/99/01/527229901.db2.gz ZHLSNQLDBFUIQP-CYBMUJFWSA-N 1 0 276.771 2.052 10 0 CEAERO [NH3+]C[C@H](c1ccccc1F)N1CCC[C@@H]1CCCO ZINC000052757571 527230531 /nfs/dbraw/zinc/23/05/31/527230531.db2.gz STIWZPHVHRORKD-IUODEOHRSA-N 1 0 266.360 2.062 10 0 CEAERO Cn1cc(C[C@@]2(C[NH3+])CCCc3ccccc32)cn1 ZINC000054637459 527233065 /nfs/dbraw/zinc/23/30/65/527233065.db2.gz BPRYIVNOGJVXOG-MRXNPFEDSA-N 1 0 255.365 2.196 10 0 CEAERO [NH3+]Cc1cc(COc2ccc(F)c(F)c2)ccn1 ZINC000068751738 527247120 /nfs/dbraw/zinc/24/71/20/527247120.db2.gz JPQNNPNUBDXHSJ-UHFFFAOYSA-N 1 0 250.248 2.398 10 0 CEAERO [NH3+]Cc1cc(Cl)ccc1OCCn1cccn1 ZINC000049313556 527248872 /nfs/dbraw/zinc/24/88/72/527248872.db2.gz KKTRUBPYLIIEJK-UHFFFAOYSA-N 1 0 251.717 2.074 10 0 CEAERO [NH3+]Cc1ccc(N(C(=O)[C@@H]2CCCCO2)C2CC2)cc1 ZINC000050958420 527254487 /nfs/dbraw/zinc/25/44/87/527254487.db2.gz QUJRYTZQCGKJKS-HNNXBMFYSA-N 1 0 274.364 2.210 10 0 CEAERO [NH3+]Cc1cccc(C(=O)N2Cc3ccccc3C2)c1 ZINC000050910382 527258444 /nfs/dbraw/zinc/25/84/44/527258444.db2.gz DACFMIAMBXKZCT-UHFFFAOYSA-N 1 0 252.317 2.301 10 0 CEAERO [NH3+]Cc1cnn(CCOc2cccc(Br)c2)c1 ZINC000054716817 527264739 /nfs/dbraw/zinc/26/47/39/527264739.db2.gz UXTDXHZVSGZQJQ-UHFFFAOYSA-N 1 0 296.168 2.183 10 0 CEAERO [NH3+]Cc1nc(CN2CCc3sccc3C2)cs1 ZINC000052416542 527266442 /nfs/dbraw/zinc/26/64/42/527266442.db2.gz JYYMZJAYOPTSTG-UHFFFAOYSA-N 1 0 265.407 2.222 10 0 CEAERO O=C(Nc1ccc2n[nH]cc2c1)c1ccc2c(c1)C[NH2+]C2 ZINC000156680999 527266891 /nfs/dbraw/zinc/26/68/91/527266891.db2.gz LJCASNBVBBZGBY-UHFFFAOYSA-N 1 0 278.315 2.418 10 0 CEAERO NNc1ccc(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)c[nH+]1 ZINC000051090767 527275435 /nfs/dbraw/zinc/27/54/35/527275435.db2.gz ZSKOYEWKRNNKMP-DGCLKSJQSA-N 1 0 274.368 2.020 10 0 CEAERO O=C(Cc1ccccc1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000063189243 527276766 /nfs/dbraw/zinc/27/67/66/527276766.db2.gz DHTHLSNZBSNRRI-HZPDHXFCSA-N 1 0 272.392 2.362 10 0 CEAERO NNc1ccc(Cl)c(CN2CCO[C@@H]3CCCC[C@@H]32)[nH+]1 ZINC000061638611 527280570 /nfs/dbraw/zinc/28/05/70/527280570.db2.gz PIVVABCRYSPPLK-QWHCGFSZSA-N 1 0 296.802 2.164 10 0 CEAERO [NH3+][C@@H](Cn1ncccc1=O)c1cccc2ccccc21 ZINC000061402831 527337691 /nfs/dbraw/zinc/33/76/91/527337691.db2.gz ALHCYJANDIUUDX-HNNXBMFYSA-N 1 0 265.316 2.097 10 0 CEAERO [NH3+][C@@H](Cn1ccc(=O)cc1)c1cc2ccccc2o1 ZINC000061627943 527337994 /nfs/dbraw/zinc/33/79/94/527337994.db2.gz NYJQJXWPQRUBCN-ZDUSSCGKSA-N 1 0 254.289 2.295 10 0 CEAERO [NH3+][C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccccc1C(F)(F)F ZINC000070293796 527340837 /nfs/dbraw/zinc/34/08/37/527340837.db2.gz MPPLPNTYQGIDFS-YPMHNXCESA-N 1 0 284.281 2.469 10 0 CEAERO [NH3+][C@H]1CCN(c2ccc(Cl)c(C(F)(F)F)c2)C1=O ZINC000049648311 527411715 /nfs/dbraw/zinc/41/17/15/527411715.db2.gz VFFAQHTXQMUVRX-VIFPVBQESA-N 1 0 278.661 2.423 10 0 CEAERO Nc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000050442985 527451955 /nfs/dbraw/zinc/45/19/55/527451955.db2.gz HLTDQCGKVJFVGK-SNVBAGLBSA-N 1 0 254.761 2.127 10 0 CEAERO Nc1ccc(Cl)c(C[N@@H+]2CCC[C@H]2CCCO)n1 ZINC000061639123 527485555 /nfs/dbraw/zinc/48/55/55/527485555.db2.gz VSHREFCARJGDPH-JTQLQIEISA-N 1 0 269.776 2.054 10 0 CEAERO C(c1nc(C2CCCC2)no1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000157555332 527495975 /nfs/dbraw/zinc/49/59/75/527495975.db2.gz VEFAOUTZGGWKNR-CQSZACIVSA-N 1 0 290.411 2.397 10 0 CEAERO OCC1(C[N@@H+]2CCC[C@H]2C2CCCC2)CCOCC1 ZINC000052199614 527522388 /nfs/dbraw/zinc/52/23/88/527522388.db2.gz OJISGKDGBKLYKT-HNNXBMFYSA-N 1 0 267.413 2.430 10 0 CEAERO Nc1cnn(CC[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000050614650 527538906 /nfs/dbraw/zinc/53/89/06/527538906.db2.gz GFFWEBRPJTYHRV-UHFFFAOYSA-N 1 0 284.407 2.420 10 0 CEAERO OCC[N@@H+](Cc1ccccc1)C[C@H]1COC2(CCCC2)O1 ZINC000050515360 527549898 /nfs/dbraw/zinc/54/98/98/527549898.db2.gz SYGKGSIWJJGVFN-INIZCTEOSA-N 1 0 291.391 2.167 10 0 CEAERO OC[C@H]([NH2+]C[C@@H]1CCCO1)c1ccc2ncccc2c1 ZINC000069504747 527608973 /nfs/dbraw/zinc/60/89/73/527608973.db2.gz JOFXRCZPDMSJSX-HOCLYGCPSA-N 1 0 272.348 2.037 10 0 CEAERO Cn1nccc1[C@H]([NH3+])Cc1ccccc1Br ZINC000069021679 527628020 /nfs/dbraw/zinc/62/80/20/527628020.db2.gz HHFNWROPFWWERJ-LLVKDONJSA-N 1 0 280.169 2.425 10 0 CEAERO O[C@@H](C[NH2+]C1CC1)c1ccccc1Br ZINC000055029240 527651114 /nfs/dbraw/zinc/65/11/14/527651114.db2.gz BPDZXSGQZASOFX-NSHDSACASA-N 1 0 256.143 2.235 10 0 CEAERO FC(F)(F)CN(C[C@H]1CC[C@@H](C[NH2+]C2CC2)O1)C1CC1 ZINC000052503628 527666708 /nfs/dbraw/zinc/66/67/08/527666708.db2.gz LWIDGKBKONKVFV-QWHCGFSZSA-N 1 0 292.345 2.313 10 0 CEAERO Cc1nn(C)c(Cl)c1CN1[C@H](C)CCC[C@@H]1C[NH3+] ZINC000070155103 527667169 /nfs/dbraw/zinc/66/71/69/527667169.db2.gz FPQKFEUTNOWCDJ-MWLCHTKSSA-N 1 0 270.808 2.084 10 0 CEAERO FC(F)(F)CN1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC000068694646 527668007 /nfs/dbraw/zinc/66/80/07/527668007.db2.gz SPBZCMAMZDGAAH-GFCCVEGCSA-N 1 0 258.287 2.065 10 0 CEAERO Cc1nn(C)c(N2C[C@H]3CC[C@@H]2C3)c1C[NH2+]CC(C)C ZINC000062737432 527676438 /nfs/dbraw/zinc/67/64/38/527676438.db2.gz UQMHRMKVNOUBBF-UONOGXRCSA-N 1 0 276.428 2.463 10 0 CEAERO CC(C)n1ccnc1C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000412052156 528605296 /nfs/dbraw/zinc/60/52/96/528605296.db2.gz XKSHUZQMLSHKSO-BFHYXJOUSA-N 1 0 263.385 2.057 10 0 CEAERO CC[NH2+][C@H]1CCN(C(=O)c2cn[nH]c2)c2ccccc21 ZINC000071324550 535516601 /nfs/dbraw/zinc/51/66/01/535516601.db2.gz HBVZWWRYJHQBNB-ZDUSSCGKSA-N 1 0 270.336 2.111 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C)CN1c1ccc(F)c(OC)c1 ZINC000083393366 535825065 /nfs/dbraw/zinc/82/50/65/535825065.db2.gz VOJSCXGUKCQPCJ-WDEREUQCSA-N 1 0 252.333 2.411 10 0 CEAERO CC[C@@H]1COCCN1c1nc(C(F)(F)F)ccc1C[NH3+] ZINC000094334138 535837389 /nfs/dbraw/zinc/83/73/89/535837389.db2.gz XMUBJBYXUADVMV-SNVBAGLBSA-N 1 0 289.301 2.174 10 0 CEAERO CCc1cc(N2CCC([NH3+])CC2)nc(-c2ccncc2)n1 ZINC000070451841 536144705 /nfs/dbraw/zinc/14/47/05/536144705.db2.gz ZROMLDNJTVNKRF-UHFFFAOYSA-N 1 0 283.379 2.029 10 0 CEAERO C[NH2+][C@@H](C)[C@@H]1CCCN(c2nncc3ccccc32)C1 ZINC000111716811 536351040 /nfs/dbraw/zinc/35/10/40/536351040.db2.gz QUTYCIKKTYNUFD-GXTWGEPZSA-N 1 0 270.380 2.454 10 0 CEAERO C[NH+]1CCN(c2ncc(-c3cccs3)c3nc[nH]c32)CC1 ZINC000089203268 536425292 /nfs/dbraw/zinc/42/52/92/536425292.db2.gz ORULHQOWEDYJBQ-UHFFFAOYSA-N 1 0 299.403 2.438 10 0 CEAERO COC(=O)c1ccc(N2CCCC[C@H]2C[NH3+])c(F)c1F ZINC000094271989 536732845 /nfs/dbraw/zinc/73/28/45/536732845.db2.gz KPXOHSKOHRFECQ-VIFPVBQESA-N 1 0 284.306 2.069 10 0 CEAERO COC(=O)c1ccc(N2CCC[C@H](CC[NH3+])C2)c(F)c1F ZINC000094272161 536734433 /nfs/dbraw/zinc/73/44/33/536734433.db2.gz PKQKVTWWSQLTPR-SNVBAGLBSA-N 1 0 298.333 2.317 10 0 CEAERO COc1cccc(N2CCN(CC(C)(C)[C@@H](C)[NH3+])CC2)c1 ZINC000091402718 537122833 /nfs/dbraw/zinc/12/28/33/537122833.db2.gz AZONDKQRRCTWOP-CQSZACIVSA-N 1 0 291.439 2.191 10 0 CEAERO CC1CCC(C[NH2+]CC(=O)NC2CCCC2)CC1 ZINC000063145417 538764692 /nfs/dbraw/zinc/76/46/92/538764692.db2.gz ZVKZKCXNJCMSEM-UHFFFAOYSA-N 1 0 252.402 2.461 10 0 CEAERO Cc1occc1[C@H]1C[NH2+]C[C@H]1C(=O)OC(C)(C)C ZINC000757185739 574511707 /nfs/dbraw/zinc/51/17/07/574511707.db2.gz ABPIMMCXFSLHAP-VXGBXAGGSA-N 1 0 251.326 2.233 10 0 CEAERO Cc1ccc([C@H]2C[NH2+]C[C@H]2C(=O)OC(C)(C)C)nc1 ZINC000757191207 574511992 /nfs/dbraw/zinc/51/19/92/574511992.db2.gz RZODTMFXOYZCEF-NWDGAFQWSA-N 1 0 262.353 2.035 10 0 CEAERO FC(F)(F)[C@H]1CCC[C@@]2(C1)[NH2+]C1(COC1)CCO2 ZINC000757143496 574510261 /nfs/dbraw/zinc/51/02/61/574510261.db2.gz DIVSBJZORBIUTF-GXSJLCMTSA-N 1 0 265.275 2.214 10 0 CEAERO [NH3+]C[C@H]1CCN1c1ncc(Br)cc1Cl ZINC000757153017 574510859 /nfs/dbraw/zinc/51/08/59/574510859.db2.gz SLWILDDLYMAZHY-SSDOTTSWSA-N 1 0 276.565 2.035 10 0 CEAERO CC(C)CNC(=O)N1[C@@H](C(F)(F)F)CCC[C@H]1CC[NH3+] ZINC000675073847 574511265 /nfs/dbraw/zinc/51/12/65/574511265.db2.gz UTGRQUAVEXHFFL-WDEREUQCSA-N 1 0 295.349 2.486 10 0 CEAERO CC(C)[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000107323280 567850121 /nfs/dbraw/zinc/85/01/21/567850121.db2.gz RHTWRGVOWBRTET-NSHDSACASA-N 1 0 274.286 2.305 10 0 CEAERO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@@]34C[C@@H](CO3)[C@H]24)C1 ZINC000725272070 567925175 /nfs/dbraw/zinc/92/51/75/567925175.db2.gz YOJVJTBIOOUEDB-YCCFLXJFSA-N 1 0 293.407 2.219 10 0 CEAERO CC[C@H](COC)[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC000309861720 625332206 /nfs/dbraw/zinc/33/22/06/625332206.db2.gz IWGBMPNPODEJQA-NWDGAFQWSA-N 1 0 274.405 2.256 10 0 CEAERO CC(C)CCSCC(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000193487004 625563881 /nfs/dbraw/zinc/56/38/81/625563881.db2.gz HVFIIALNGCACSB-NWDGAFQWSA-N 1 0 258.431 2.022 10 0 CEAERO Cc1ccc(C(=O)N2CC[C@H]([NH3+])[C@H]2C)cc1Br ZINC000261565077 623511455 /nfs/dbraw/zinc/51/14/55/623511455.db2.gz YEKMFMRWSLPIEY-SKDRFNHKSA-N 1 0 297.196 2.319 10 0 CEAERO C[NH+](C)C1CCN(C[C@H](O)c2cc3ccccc3o2)CC1 ZINC000044132991 624455218 /nfs/dbraw/zinc/45/52/18/624455218.db2.gz SGHQOLABQJUTIA-HNNXBMFYSA-N 1 0 288.391 2.492 10 0 CEAERO C[C@@H]1CN(Cc2ccc(Br)cc2)C[C@@H]1[NH3+] ZINC000235350039 624712768 /nfs/dbraw/zinc/71/27/68/624712768.db2.gz LIJZKDXHXUETOD-SKDRFNHKSA-N 1 0 269.186 2.228 10 0 CEAERO Cc1c(Br)cccc1C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235360872 624714303 /nfs/dbraw/zinc/71/43/03/624714303.db2.gz AGKXEMFIALFLTR-PELKAZGASA-N 1 0 297.196 2.177 10 0 CEAERO CC(C)(C)c1ncc(/C=C\C(=O)N2CCC[C@H]([NH3+])C2)s1 ZINC000255615822 625266462 /nfs/dbraw/zinc/26/64/62/625266462.db2.gz MUGAGARXWCOIEI-ZADCQDASSA-N 1 0 293.436 2.404 10 0 CEAERO C[C@H]1CN(C(=O)Cc2cccc3ccccc32)C[C@@H]1[NH3+] ZINC000235719265 625722522 /nfs/dbraw/zinc/72/25/22/625722522.db2.gz JVXFLCCMDINIQR-LRDDRELGSA-N 1 0 268.360 2.188 10 0 CEAERO Cc1oc(-c2cccs2)nc1CN1C[C@H]([NH3+])[C@@H](C)C1 ZINC000235730969 625725505 /nfs/dbraw/zinc/72/55/05/625725505.db2.gz NWJBZRRVCCOJBJ-ONGXEEELSA-N 1 0 277.393 2.491 10 0 CEAERO [NH3+]CC[C@@H]1CCN(c2ccnc(C(F)(F)F)c2)C1 ZINC000310648920 625774608 /nfs/dbraw/zinc/77/46/08/625774608.db2.gz FXNHHPSTKRMTKM-SECBINFHSA-N 1 0 259.275 2.276 10 0 CEAERO [NH3+][C@H]1CC[C@H](c2nc(COCC(F)(F)C(F)F)no2)C1 ZINC000236329182 625925083 /nfs/dbraw/zinc/92/50/83/625925083.db2.gz PGJOHDDZBKXMRA-BQBZGAKWSA-N 1 0 297.252 2.081 10 0 CEAERO C[C@H](O)[C@H](C)[NH2+][C@@H](C)c1ccc(Br)nc1 ZINC000309061781 628027616 /nfs/dbraw/zinc/02/76/16/628027616.db2.gz XDSPLKHXCVCMJX-CIUDSAMLSA-N 1 0 273.174 2.264 10 0 CEAERO c1cncc([C@@H]2NCC[NH+]=C2NC2CCCCC2)c1 ZINC000075567293 628085012 /nfs/dbraw/zinc/08/50/12/628085012.db2.gz ZRPAHWLBEMMMTC-AWEZNQCLSA-N 1 0 258.369 2.047 10 0 CEAERO OC1(C(F)(F)F)CCC([NH2+]CC[C@@H]2CCCO2)CC1 ZINC000396323991 628208484 /nfs/dbraw/zinc/20/84/84/628208484.db2.gz PZUKOZBZBLVJJS-CXQJBGSLSA-N 1 0 281.318 2.381 10 0 CEAERO OC[C@H]1CCCC[C@@H]1[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000396426098 628224250 /nfs/dbraw/zinc/22/42/50/628224250.db2.gz RYAOCDAHNXTXCD-IGJPJIBNSA-N 1 0 295.345 2.363 10 0 CEAERO Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)on1 ZINC000309996572 628237252 /nfs/dbraw/zinc/23/72/52/628237252.db2.gz BWIAIIKEKHBBPA-SNVBAGLBSA-N 1 0 283.372 2.376 10 0 CEAERO C[C@H](C[C@H]1CCC(=O)N1)[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000313535454 628615053 /nfs/dbraw/zinc/61/50/53/628615053.db2.gz QGBWENJTIFGAMZ-IOCFZUKASA-N 1 0 276.424 2.458 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C)c(C(=O)N(C)C)c1 ZINC000236897935 628740300 /nfs/dbraw/zinc/74/03/00/628740300.db2.gz XAWGMARDWJFXDU-IINYFYTJSA-N 1 0 291.395 2.009 10 0 CEAERO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(CCO)CC1 ZINC000398947897 628765864 /nfs/dbraw/zinc/76/58/64/628765864.db2.gz AJPYUSYFJWAHQO-HOTGVXAUSA-N 1 0 268.445 2.248 10 0 CEAERO C[C@@H]([NH2+]C1CCN(CCO)CC1)C1CCCCC1 ZINC000399170123 628782305 /nfs/dbraw/zinc/78/23/05/628782305.db2.gz IEEKUFATSGZNCG-CYBMUJFWSA-N 1 0 254.418 2.002 10 0 CEAERO Cc1cnccc1C[NH2+][C@H]1CCC[C@H]1Oc1cnn(C)c1 ZINC000888098600 628868158 /nfs/dbraw/zinc/86/81/58/628868158.db2.gz JDOAFHSFJKDTBA-JKSUJKDBSA-N 1 0 286.379 2.213 10 0 CEAERO COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)O)cc1OC ZINC000094653923 628869799 /nfs/dbraw/zinc/86/97/99/628869799.db2.gz SEXREIIXVLTRLC-GARJFASQSA-N 1 0 253.342 2.124 10 0 CEAERO CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)[N@H+](CC2CCOCC2)C1 ZINC000888102935 628871370 /nfs/dbraw/zinc/87/13/70/628871370.db2.gz VZXIOTIDCUXNRW-CABCVRRESA-N 1 0 293.411 2.215 10 0 CEAERO CCNc1ccc(C)cc1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094467105 628927623 /nfs/dbraw/zinc/92/76/23/628927623.db2.gz RBYBXHMLZVPJRM-CQSZACIVSA-N 1 0 287.407 2.347 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1cc(Cl)ccc1F ZINC000261541476 628936533 /nfs/dbraw/zinc/93/65/33/628936533.db2.gz BBQFNIFPWLXUGF-HQJQHLMTSA-N 1 0 256.708 2.041 10 0 CEAERO CCC([NH3+])(CC)CNc1nc([C@H](C)OC)ns1 ZINC000261541562 628936544 /nfs/dbraw/zinc/93/65/44/628936544.db2.gz BIEQJPLTZMYROC-QMMMGPOBSA-N 1 0 258.391 2.175 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1ccc(F)cc1Cl ZINC000261550274 628936950 /nfs/dbraw/zinc/93/69/50/628936950.db2.gz LDTCXJVYFBLAPA-WRWORJQWSA-N 1 0 256.708 2.041 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1csc2ccccc12 ZINC000261559971 628938899 /nfs/dbraw/zinc/93/88/99/628938899.db2.gz DXNRPNVHTLNNQQ-SKDRFNHKSA-N 1 0 260.362 2.463 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1ccc(Cl)cc1F ZINC000261564185 628939069 /nfs/dbraw/zinc/93/90/69/628939069.db2.gz XOOJPQOTFVCGNI-RDDDGLTNSA-N 1 0 256.708 2.041 10 0 CEAERO Cc1nsc(NC[C@@H]2[NH2+]CCc3ccccc32)n1 ZINC000261574292 628939513 /nfs/dbraw/zinc/93/95/13/628939513.db2.gz MSBJQCZGFKPNCS-LBPRGKRZSA-N 1 0 260.366 2.145 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1cc2ccccc2s1 ZINC000261566074 628939981 /nfs/dbraw/zinc/93/99/81/628939981.db2.gz ICFWBWWLBUUACQ-MWLCHTKSSA-N 1 0 260.362 2.463 10 0 CEAERO Cn1cc([C@H]2CCC[N@@H+]2Cc2cccc(N)c2)cn1 ZINC000261583212 628942384 /nfs/dbraw/zinc/94/23/84/628942384.db2.gz HCASDRHOLALOTA-OAHLLOKOSA-N 1 0 256.353 2.339 10 0 CEAERO Cc1cnc([C@H](C)NC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)o1 ZINC000261600440 628944150 /nfs/dbraw/zinc/94/41/50/628944150.db2.gz WQHCSIBKLWNLSE-DYEKYZERSA-N 1 0 287.363 2.496 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1c1nc([C@H]2CCCO2)no1 ZINC000250997736 628945559 /nfs/dbraw/zinc/94/55/59/628945559.db2.gz DDIZBBMDCJATAM-GARJFASQSA-N 1 0 251.330 2.154 10 0 CEAERO C[NH2+][C@H](C)CNS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000261621479 628949688 /nfs/dbraw/zinc/94/96/88/628949688.db2.gz ABOWRRSODBTRKG-SECBINFHSA-N 1 0 298.452 2.115 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@H]1CCCc2ccccc21 ZINC000261635312 628953573 /nfs/dbraw/zinc/95/35/73/628953573.db2.gz WLHLAVGBQRYISO-BYCMXARLSA-N 1 0 258.365 2.055 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1Cc1cc(Cl)c2c(c1)OCCO2 ZINC000261637017 628954263 /nfs/dbraw/zinc/95/42/63/628954263.db2.gz WONZJENXQWWUOZ-SKDRFNHKSA-N 1 0 282.771 2.033 10 0 CEAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1ccc(CCC(C)C)cc1 ZINC000261666648 628976540 /nfs/dbraw/zinc/97/65/40/628976540.db2.gz GITNTZJLFGHFEJ-ZDUSSCGKSA-N 1 0 298.452 2.161 10 0 CEAERO CCOc1ccc(C(=O)N2CC[C@H]([NH3+])[C@H]2C)cc1OCC ZINC000261802667 629247665 /nfs/dbraw/zinc/24/76/65/629247665.db2.gz YWHVOFGCTFHDSA-YPMHNXCESA-N 1 0 292.379 2.046 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 ZINC000261834730 629264542 /nfs/dbraw/zinc/26/45/42/629264542.db2.gz VSHZSZOYEQUBLP-MNOVXSKESA-N 1 0 284.787 2.140 10 0 CEAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc2[nH]cnc2c1F ZINC000895706084 630308534 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COc1ccccc1/C=C\CN1C[C@H]([NH3+])[C@@H](C2CC2)C1 ZINC000229976802 639726694 /nfs/dbraw/zinc/72/66/94/639726694.db2.gz HJRAKTBSVBLGDG-CEFRJJNVSA-N 1 0 272.392 2.378 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+]Cc2nccs2)C1 ZINC000230166998 639742885 /nfs/dbraw/zinc/74/28/85/639742885.db2.gz JZUSSGHHBFFWTC-NSHDSACASA-N 1 0 297.424 2.490 10 0 CEAERO COC1CC([NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000230675333 639778090 /nfs/dbraw/zinc/77/80/90/639778090.db2.gz QLPZTINDJPUBEN-BLYZHGLHSA-N 1 0 298.427 2.447 10 0 CEAERO CCCC[N@H+](C)Cn1cnc2c1ncnc2NC(C)C ZINC000104652729 639967927 /nfs/dbraw/zinc/96/79/27/639967927.db2.gz GOEFRZYLHOWOJO-UHFFFAOYSA-N 1 0 276.388 2.336 10 0 CEAERO Cc1cc(F)ccc1C(=O)N1C[C@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000312943437 640169308 /nfs/dbraw/zinc/16/93/08/640169308.db2.gz GSNJJUAEPCBYJY-CHWSQXEVSA-N 1 0 276.355 2.158 10 0 CEAERO CCC(CC)(CNC(=O)C[C@@H]1CCC[NH2+]C1)SC ZINC000232896138 640961092 /nfs/dbraw/zinc/96/10/92/640961092.db2.gz USTNPYOFVNRYEE-LBPRGKRZSA-N 1 0 272.458 2.414 10 0 CEAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NC1CC1 ZINC000113973380 641237078 /nfs/dbraw/zinc/23/70/78/641237078.db2.gz UUPRZHFECHMJNI-DOMZBBRYSA-N 1 0 258.365 2.033 10 0 CEAERO CCC1(CC)CN(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)C(=O)O1 ZINC000180248715 641436294 /nfs/dbraw/zinc/43/62/94/641436294.db2.gz QWDDFRXNTJIHIU-KBPBESRZSA-N 1 0 295.427 2.123 10 0 CEAERO C[C@H]([NH2+]CCCOc1ccc(C#N)cc1)[C@@H]1CCCO1 ZINC000183154943 641716807 /nfs/dbraw/zinc/71/68/07/641716807.db2.gz PFDUVHKRVCYYFI-BBRMVZONSA-N 1 0 274.364 2.484 10 0 CEAERO CO[C@@H]1C[C@H](c2nnc(C)o2)[N@H+](CCc2cccs2)C1 ZINC000779894441 647370299 /nfs/dbraw/zinc/37/02/99/647370299.db2.gz ZWWXDMQDBWJARL-DGCLKSJQSA-N 1 0 293.392 2.444 10 0 CEAERO C[C@H](NC(=O)C[C@H]([NH3+])C1CC1)c1ccc(F)c(F)c1 ZINC000123661262 649095351 /nfs/dbraw/zinc/09/53/51/649095351.db2.gz VLTAYGKKNRVSKD-SDBXPKJASA-N 1 0 268.307 2.269 10 0 CEAERO C[C@H](NC(=O)CCC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000019473235 649375759 /nfs/dbraw/zinc/37/57/59/649375759.db2.gz KRFDFFRNNXZZEA-IKMFHRHGSA-N 1 0 264.413 2.446 10 0 CEAERO CCCn1cc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cn1 ZINC000125001319 649776187 /nfs/dbraw/zinc/77/61/87/649776187.db2.gz OUHPIJHFYBVXBT-GXTWGEPZSA-N 1 0 293.415 2.143 10 0 CEAERO CCC1(CO)CC[NH+](C[C@](C)(O)c2ccccc2)CC1 ZINC000128088888 651362631 /nfs/dbraw/zinc/36/26/31/651362631.db2.gz CMFUUBZAGLXIHY-INIZCTEOSA-N 1 0 277.408 2.379 10 0 CEAERO CCC1(CO)CC[NH+](C[C@@](C)(O)c2ccccc2)CC1 ZINC000128089092 651362671 /nfs/dbraw/zinc/36/26/71/651362671.db2.gz CMFUUBZAGLXIHY-MRXNPFEDSA-N 1 0 277.408 2.379 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1ncccc1Br ZINC000129547690 652012294 /nfs/dbraw/zinc/01/22/94/652012294.db2.gz RUDODYIECMKLLE-WPRPVWTQSA-N 1 0 270.174 2.397 10 0 CEAERO C[NH2+][C@H](C[S@](=O)c1ccccc1Cl)C1CC1 ZINC000082001675 177917951 /nfs/dbraw/zinc/91/79/51/177917951.db2.gz KSDULCZKZAVOQY-BDJLRTHQSA-N 1 0 257.786 2.446 10 0 CEAERO Cc1nc2ccccc2nc1N1CCC[C@@H](C[NH3+])C1 ZINC000052099583 282087951 /nfs/dbraw/zinc/08/79/51/282087951.db2.gz FQXRDMZTCVGHIP-LBPRGKRZSA-N 1 0 256.353 2.113 10 0 CEAERO COc1ccccc1C[C@@H]([NH2+][C@@H](C)CO)C(C)C ZINC000127633465 187321019 /nfs/dbraw/zinc/32/10/19/187321019.db2.gz XNQDOYRTGWOGKD-GXTWGEPZSA-N 1 0 251.370 2.233 10 0 CEAERO Brc1cccnc1NCC[C@@H]1CC[NH2+]C1 ZINC000082487652 178056449 /nfs/dbraw/zinc/05/64/49/178056449.db2.gz YBJPKJRCWCKOFK-VIFPVBQESA-N 1 0 270.174 2.256 10 0 CEAERO Cc1ccc(C[N@H+]2CCCN(Cc3cnn(C)c3)CC2)o1 ZINC000121555006 365584047 /nfs/dbraw/zinc/58/40/47/365584047.db2.gz BJAQDCWLKWQVOO-UHFFFAOYSA-N 1 0 288.395 2.029 10 0 CEAERO CC[C@@H](C)[C@H]([NH3+])c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000034939132 361799038 /nfs/dbraw/zinc/79/90/38/361799038.db2.gz OPIVTJSOFLQCET-OQPBUACISA-N 1 0 261.325 2.380 10 0 CEAERO C[C@@H](NC(=O)C1([NH3+])CCOCC1)c1ccc(Cl)s1 ZINC000127780068 187333113 /nfs/dbraw/zinc/33/31/13/187333113.db2.gz YZUNUCOYHJWEAC-MRVPVSSYSA-N 1 0 288.800 2.087 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1[S@](=O)c1ccc(Br)cc1 ZINC000082747108 178269011 /nfs/dbraw/zinc/26/90/11/178269011.db2.gz MZKUEBMSZRJCAK-PGUXBMHVSA-N 1 0 288.210 2.437 10 0 CEAERO C[C@@H]([NH3+])CC[S@](=O)c1ccccc1Br ZINC000082747251 178269062 /nfs/dbraw/zinc/26/90/62/178269062.db2.gz YKZHVKAGGHVDJN-XLKFXECMSA-N 1 0 276.199 2.294 10 0 CEAERO CC(=O)N1CCC([NH2+][C@H]2CCOc3ccccc32)CC1 ZINC000034996442 361803041 /nfs/dbraw/zinc/80/30/41/361803041.db2.gz LUWAPUOJFGKYNS-HNNXBMFYSA-N 1 0 274.364 2.111 10 0 CEAERO CC[C@H]([NH3+])C[S@](=O)c1ccccc1Br ZINC000082747342 178269423 /nfs/dbraw/zinc/26/94/23/178269423.db2.gz QQMHISREXVGKLY-RMLUDKJBSA-N 1 0 276.199 2.294 10 0 CEAERO CCC[C@@H](C(=O)NCc1nc(C)c(C)s1)[NH+](C)C ZINC000125015117 187165658 /nfs/dbraw/zinc/16/56/58/187165658.db2.gz FPWQZMDXONWIOD-NSHDSACASA-N 1 0 269.414 2.106 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@@H]1S(=O)(=O)c1cccs1 ZINC000082790076 178294968 /nfs/dbraw/zinc/29/49/68/178294968.db2.gz ZZRVSPQXHLGCJW-ZJUUUORDSA-N 1 0 259.396 2.039 10 0 CEAERO C[C@H]([NH3+])[C@H](CO)Sc1ccc(Br)cc1 ZINC000082987971 178332426 /nfs/dbraw/zinc/33/24/26/178332426.db2.gz GRJGRXSJIJLHKR-XVKPBYJWSA-N 1 0 276.199 2.249 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)Cc1cccc(C(F)(F)F)c1 ZINC000335500189 212179663 /nfs/dbraw/zinc/17/96/63/212179663.db2.gz NYAIUDUFVNVPPQ-JOYOIKCWSA-N 1 0 286.297 2.196 10 0 CEAERO C[C@@H](C[NH3+])[C@H](O)c1cc(Br)ccc1F ZINC000083021725 178334344 /nfs/dbraw/zinc/33/43/44/178334344.db2.gz IJFXOEYERQKFSJ-WKEGUHRASA-N 1 0 262.122 2.216 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cncc(Cl)c1 ZINC000621258081 349540336 /nfs/dbraw/zinc/54/03/36/349540336.db2.gz WXPOJTWAHYMCGS-RISCZKNCSA-N 1 0 265.788 2.404 10 0 CEAERO CC[NH2+][C@](C)(CO)CCSc1nc(C)cs1 ZINC000082903516 178329583 /nfs/dbraw/zinc/32/95/83/178329583.db2.gz GHHGNAKMFOKHDJ-NSHDSACASA-N 1 0 260.428 2.294 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)NCc1ccc(Cl)s1 ZINC000082922078 178330110 /nfs/dbraw/zinc/33/01/10/178330110.db2.gz BOQJQPBRQHEBRA-IUCAKERBSA-N 1 0 258.774 2.145 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)NCc1ccc(Cl)s1 ZINC000082922079 178330301 /nfs/dbraw/zinc/33/03/01/178330301.db2.gz BOQJQPBRQHEBRA-RKDXNWHRSA-N 1 0 258.774 2.145 10 0 CEAERO O[C@@H]1CC[C@H]2C[N@H+](Cc3cncc(Cl)c3)C[C@@H]2C1 ZINC000621301946 349553456 /nfs/dbraw/zinc/55/34/56/349553456.db2.gz MDBQMHCAIIYZGI-SGMGOOAPSA-N 1 0 266.772 2.328 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C)CN1CCc1ccc(F)cc1 ZINC000083383581 178386539 /nfs/dbraw/zinc/38/65/39/178386539.db2.gz XZLHGDPVFZGPTQ-IUODEOHRSA-N 1 0 250.361 2.441 10 0 CEAERO COc1cc(C)c(/C=C/C(=O)NCC[NH+](C)C)c(C)c1 ZINC000096754250 185111344 /nfs/dbraw/zinc/11/13/44/185111344.db2.gz QRGYKNFQXIMSJB-VOTSOKGWSA-N 1 0 276.380 2.003 10 0 CEAERO CC(C)[C@@H]1CN(Cc2cccc(F)c2F)CC[NH2+]1 ZINC000083399228 178412442 /nfs/dbraw/zinc/41/24/42/178412442.db2.gz CJCXZIZFQPCBFM-ZDUSSCGKSA-N 1 0 254.324 2.395 10 0 CEAERO C[NH2+][C@@](C)(C[C@@H](C)[N@H+](CCC(C)C)C1CC1)C(=O)[O-] ZINC000096818539 185115764 /nfs/dbraw/zinc/11/57/64/185115764.db2.gz HQFAWNLBUBYSFW-DOMZBBRYSA-N 1 0 270.417 2.338 10 0 CEAERO CCc1ccc(CN(C)C(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000036199682 361835528 /nfs/dbraw/zinc/83/55/28/361835528.db2.gz SCJMVECHLMIMDJ-HNNXBMFYSA-N 1 0 260.381 2.207 10 0 CEAERO CCOc1ccc([C@@H](C[NH3+])C2CC2)cc1NC(C)=O ZINC000096890671 185123607 /nfs/dbraw/zinc/12/36/07/185123607.db2.gz NSXWIPVCVFHEGW-ZDUSSCGKSA-N 1 0 262.353 2.496 10 0 CEAERO O=S1(=O)CCC([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000037142174 361899161 /nfs/dbraw/zinc/89/91/61/361899161.db2.gz GUGOWZBNIYLNBP-MWLCHTKSSA-N 1 0 299.358 2.274 10 0 CEAERO C[C@H]1C[NH2+]C[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000096958513 185141309 /nfs/dbraw/zinc/14/13/09/185141309.db2.gz FPINZJWMLCTLKJ-FZMZJTMJSA-N 1 0 254.374 2.243 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000096958510 185141776 /nfs/dbraw/zinc/14/17/76/185141776.db2.gz FPINZJWMLCTLKJ-BXUZGUMPSA-N 1 0 254.374 2.243 10 0 CEAERO Cc1cc(C)cc([C@@H](O)CN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000096991523 185149041 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ZINC000037801405 343430843 /nfs/dbraw/zinc/43/08/43/343430843.db2.gz XLABUUIRCXJGGJ-TZMCWYRMSA-N 1 0 296.436 2.383 10 0 CEAERO c1ccc2nc(C[NH2+]CC[C@@H]3CCCO3)cnc2c1 ZINC000038054764 343432821 /nfs/dbraw/zinc/43/28/21/343432821.db2.gz OKJRXRIGDHOHTB-ZDUSSCGKSA-N 1 0 257.337 2.289 10 0 CEAERO Cc1ccc2c(c1)C(=O)N(CC(C)(C)C[NH+](C)C)C2=O ZINC000038226996 343433610 /nfs/dbraw/zinc/43/36/10/343433610.db2.gz UKTWNVHEJNHMEA-UHFFFAOYSA-N 1 0 274.364 2.179 10 0 CEAERO [NH3+]Cc1c(-c2ccccc2O)ccc2c1NCCN2 ZINC000043173130 343462198 /nfs/dbraw/zinc/46/21/98/343462198.db2.gz QPMNQRKNPKTALW-UHFFFAOYSA-N 1 0 255.321 2.355 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@H](C)c2ccsc2)C1 ZINC000252646006 539321274 /nfs/dbraw/zinc/32/12/74/539321274.db2.gz RHXBAVLDCGSGPK-YPMHNXCESA-N 1 0 254.399 2.119 10 0 CEAERO Cc1csc2c1ncnc2N1CCCC[C@@H]([NH3+])C1 ZINC000082126544 539324460 /nfs/dbraw/zinc/32/44/60/539324460.db2.gz NMTRJDHBLOQFDS-SNVBAGLBSA-N 1 0 262.382 2.317 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)CSCC(F)(F)F)[C@@H](C)C1 ZINC000128225597 365780335 /nfs/dbraw/zinc/78/03/35/365780335.db2.gz KFMJHOPPGQYFAV-UWVGGRQHSA-N 1 0 298.374 2.127 10 0 CEAERO COc1ccc(OC)c(C[N@@H+]2CCC[C@@H](O)[C@H]2C)c1 ZINC000295041979 199316065 /nfs/dbraw/zinc/31/60/65/199316065.db2.gz OUWIEAOGCQKFBE-BXUZGUMPSA-N 1 0 265.353 2.049 10 0 CEAERO [NH3+][C@H](CNC(=O)OCc1ccccc1)Cc1ccccc1 ZINC000059221323 343652115 /nfs/dbraw/zinc/65/21/15/343652115.db2.gz NHWVAWJPZOHIOG-INIZCTEOSA-N 1 0 284.359 2.483 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCCOC2CCCC2)C1 ZINC000064241006 343687045 /nfs/dbraw/zinc/68/70/45/343687045.db2.gz IOGBNFSYFNVBSI-CQSZACIVSA-N 1 0 297.443 2.119 10 0 CEAERO C[C@@H](Oc1ccc(Br)c(F)c1)C(N)=[NH2+] ZINC000083576717 178582966 /nfs/dbraw/zinc/58/29/66/178582966.db2.gz UMHLCYJRAVOOFH-RXMQYKEDSA-N 1 0 261.094 2.291 10 0 CEAERO C[C@@H]([NH3+])c1ccc(F)cc1I ZINC000083593060 178602109 /nfs/dbraw/zinc/60/21/09/178602109.db2.gz SBWZBPGCWRISEJ-RXMQYKEDSA-N 1 0 265.069 2.450 10 0 CEAERO CC[C@H](C[NH3+])C(=O)Nc1cccc(Br)c1 ZINC000083603982 178612172 /nfs/dbraw/zinc/61/21/72/178612172.db2.gz GTOWGVGNMCTUIR-MRVPVSSYSA-N 1 0 271.158 2.373 10 0 CEAERO Cc1cc(F)ccc1C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000127078205 187280649 /nfs/dbraw/zinc/28/06/49/187280649.db2.gz SWVDRHLWSPWQOQ-GXFFZTMASA-N 1 0 250.317 2.004 10 0 CEAERO C[N@H+](CC(=O)Nc1ccccc1Cl)[C@H]1CCC[C@@H]1O ZINC000078480643 343954581 /nfs/dbraw/zinc/95/45/81/343954581.db2.gz GJILTXMACHIIAI-STQMWFEESA-N 1 0 282.771 2.124 10 0 CEAERO Cc1noc(-c2ccnc(NC[C@H]3CCC[N@@H+](C)C3)c2)n1 ZINC000091482610 344164785 /nfs/dbraw/zinc/16/47/85/344164785.db2.gz SSLCRMSCIHJAOU-GFCCVEGCSA-N 1 0 287.367 2.194 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@@H](C)c2ccccc2F)C1 ZINC000113267360 344276302 /nfs/dbraw/zinc/27/63/02/344276302.db2.gz HFTSMURWBDKUQX-STQMWFEESA-N 1 0 266.360 2.197 10 0 CEAERO OCCC1([NH+]2CCCC2)CCN(Cc2ccccc2)CC1 ZINC000113603791 344277259 /nfs/dbraw/zinc/27/72/59/344277259.db2.gz BLDGMXLDSDCBTB-UHFFFAOYSA-N 1 0 288.435 2.499 10 0 CEAERO C[C@@H]1C[C@](O)(c2sccc2Br)C[N@@H+]1C ZINC000127581893 344330573 /nfs/dbraw/zinc/33/05/73/344330573.db2.gz SIQHJTDRSIQVGZ-GMSGAONNSA-N 1 0 276.199 2.422 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cc(C(=O)OC)cs1 ZINC000602471637 347047082 /nfs/dbraw/zinc/04/70/82/347047082.db2.gz BZFPMAWAZWBCFC-ZDUSSCGKSA-N 1 0 296.436 2.451 10 0 CEAERO CC(C)CCC[C@@H](C)NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129700207 344346243 /nfs/dbraw/zinc/34/62/43/344346243.db2.gz SUUHOVICYJRLCN-CQSZACIVSA-N 1 0 283.460 2.001 10 0 CEAERO CCCC[C@H](C[NH3+])Nc1cncc(OC(C)C)n1 ZINC000130592593 344354063 /nfs/dbraw/zinc/35/40/63/344354063.db2.gz XKIVRCNOQQGNKT-LLVKDONJSA-N 1 0 252.362 2.193 10 0 CEAERO COc1cc([C@H](C)[NH2+][C@H](C)[C@@H](C)CO)cc(OC)c1OC ZINC000131735544 344359887 /nfs/dbraw/zinc/35/98/87/344359887.db2.gz SSYPHWUOWLFSEN-TUAOUCFPSA-N 1 0 297.395 2.380 10 0 CEAERO C[C@H](c1ccc(Br)o1)N1CC[C@H]([NH3+])C1 ZINC000131811915 344360369 /nfs/dbraw/zinc/36/03/69/344360369.db2.gz MBZQGSLDZOXJJW-SFYZADRCSA-N 1 0 259.147 2.136 10 0 CEAERO C[C@@H](c1ccc(Br)o1)N1CC[NH2+]CC1 ZINC000131809063 344360430 /nfs/dbraw/zinc/36/04/30/344360430.db2.gz PILVZVFRRIHMAK-QMMMGPOBSA-N 1 0 259.147 2.008 10 0 CEAERO [NH2+]=C1NC[C@@H](c2cncs2)N1Cc1ccccc1 ZINC000132177837 344362193 /nfs/dbraw/zinc/36/21/93/344362193.db2.gz RGXZNPSJBZZPBE-NSHDSACASA-N 1 0 258.350 2.015 10 0 CEAERO CSCCCCNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000153655899 344430368 /nfs/dbraw/zinc/43/03/68/344430368.db2.gz WJTNWTJRSZZGMW-CYBMUJFWSA-N 1 0 285.457 2.009 10 0 CEAERO CCN1CCO[C@H](C[NH2+]Cc2cc(C)c(C)cc2C)C1 ZINC000134438838 344374133 /nfs/dbraw/zinc/37/41/33/344374133.db2.gz RHZPZUFGDZYOPH-QGZVFWFLSA-N 1 0 276.424 2.422 10 0 CEAERO COC(=O)c1ccc(C)c(NC(=O)C[C@H]([NH3+])C(C)C)c1 ZINC000136328481 344384742 /nfs/dbraw/zinc/38/47/42/344384742.db2.gz FMOPDXBJDUOHCH-LBPRGKRZSA-N 1 0 278.352 2.094 10 0 CEAERO CC(C)(O)[C@H](CN1CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000139176706 344392477 /nfs/dbraw/zinc/39/24/77/344392477.db2.gz PDCLGEOHVQIEGP-CQSZACIVSA-N 1 0 282.815 2.100 10 0 CEAERO [NH3+][C@H]1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000140349353 344397702 /nfs/dbraw/zinc/39/77/02/344397702.db2.gz WRCZYLBCTOEROR-KGLIPLIRSA-N 1 0 262.353 2.430 10 0 CEAERO C[C@@H](COc1ccc(F)cc1C(F)(F)F)[NH2+]CCO ZINC000144476678 344407804 /nfs/dbraw/zinc/40/78/04/344407804.db2.gz UPUCSIUZEKVMGB-QMMMGPOBSA-N 1 0 281.249 2.194 10 0 CEAERO OC1(C[NH2+][C@H]2CCSc3c(F)cccc32)CCOCC1 ZINC000162590720 344468107 /nfs/dbraw/zinc/46/81/07/344468107.db2.gz BUMOREMNKUDJKX-ZDUSSCGKSA-N 1 0 297.395 2.494 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)NCC(C)(C)c2ccccc2)C1 ZINC000170830241 344490866 /nfs/dbraw/zinc/49/08/66/344490866.db2.gz MSFNYVUJGAQDOS-HNNXBMFYSA-N 1 0 289.423 2.310 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)[C@@]2(C)CCCc3ccccc32)C1 ZINC000170868198 344491702 /nfs/dbraw/zinc/49/17/02/344491702.db2.gz ZKZGGVDAHBDZPL-YJBOKZPZSA-N 1 0 286.419 2.443 10 0 CEAERO O[C@@]1(c2cccc(Br)c2)CCC[NH2+]C1 ZINC000215435342 344533865 /nfs/dbraw/zinc/53/38/65/344533865.db2.gz LHYAHQDJVIPXIK-NSHDSACASA-N 1 0 256.143 2.020 10 0 CEAERO C[C@@H](Nc1ncnc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000050164123 362407251 /nfs/dbraw/zinc/40/72/51/362407251.db2.gz PEJKVUUIQNMLEF-NEPJUHHUSA-N 1 0 256.353 2.430 10 0 CEAERO CCS[C@@H]1CCC[C@H]1NC(=O)C1CCC([NH3+])CC1 ZINC000225554672 344546940 /nfs/dbraw/zinc/54/69/40/344546940.db2.gz CARRJYYVMCDHSS-FIYWTHMPSA-N 1 0 270.442 2.294 10 0 CEAERO [NH3+]CC1(C(=O)c2cscc2Br)CC1 ZINC000226797054 344551440 /nfs/dbraw/zinc/55/14/40/344551440.db2.gz DYJYYSLRSLTIAG-UHFFFAOYSA-N 1 0 260.156 2.432 10 0 CEAERO CCc1nsc(N2CCc3ccccc3[C@H]2C[NH3+])n1 ZINC000227724841 344556361 /nfs/dbraw/zinc/55/63/61/344556361.db2.gz NCAKOCDAVYGOPO-GFCCVEGCSA-N 1 0 274.393 2.163 10 0 CEAERO CCCCOC[C@@H](O)C[NH2+]CCc1ccsc1 ZINC000227890372 344556978 /nfs/dbraw/zinc/55/69/78/344556978.db2.gz IUOUWOOJGIOPNG-ZDUSSCGKSA-N 1 0 257.399 2.058 10 0 CEAERO CCCCOC[C@@H](O)C[NH2+]C[C@]1(C)CCCS1 ZINC000227894665 344557546 /nfs/dbraw/zinc/55/75/46/344557546.db2.gz FQZARMZUAAGWSW-STQMWFEESA-N 1 0 261.431 2.039 10 0 CEAERO COc1ccc(C[N@@H+]2CC[C@H](CCO)C2)c(F)c1 ZINC000228635222 344563081 /nfs/dbraw/zinc/56/30/81/344563081.db2.gz HPOFIMIJOXKKMW-LLVKDONJSA-N 1 0 253.317 2.039 10 0 CEAERO C[C@@H]1CCC[C@@H](CNC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000235361320 344590179 /nfs/dbraw/zinc/59/01/79/344590179.db2.gz BDEIKEAWQFDLEG-MCIONIFRSA-N 1 0 252.402 2.319 10 0 CEAERO C[C@H]1CN(C(=O)c2cc3sccc3s2)C[C@@H]1[NH3+] ZINC000235689396 344592302 /nfs/dbraw/zinc/59/23/02/344592302.db2.gz DGUSUZMPWIZIPZ-YUMQZZPRSA-N 1 0 266.391 2.382 10 0 CEAERO CC(C)c1ccc([C@H](O)C[NH+]2CCC(O)CC2)cc1 ZINC000051590138 362432367 /nfs/dbraw/zinc/43/23/67/362432367.db2.gz MKNZPHXJCCHAEB-MRXNPFEDSA-N 1 0 263.381 2.300 10 0 CEAERO [NH3+][C@@H](CC1OCCO1)c1sccc1Br ZINC000236303703 344595447 /nfs/dbraw/zinc/59/54/47/344595447.db2.gz PZVSMRBACHRKQE-ZETCQYMHSA-N 1 0 278.171 2.273 10 0 CEAERO C[C@@H](C[NH3+])Nc1cnc(Cl)c(Br)c1 ZINC000235118072 344588818 /nfs/dbraw/zinc/58/88/18/344588818.db2.gz FYBAHDJCDRWMIE-YFKPBYRVSA-N 1 0 264.554 2.257 10 0 CEAERO O=C1NCCC[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000050394104 362416913 /nfs/dbraw/zinc/41/69/13/362416913.db2.gz ZTAXKZGCOHELEK-LLVKDONJSA-N 1 0 272.270 2.074 10 0 CEAERO CCn1ccnc1CN[C@@H](C[NH+](C)C)c1ccccc1 ZINC000051921101 362449378 /nfs/dbraw/zinc/44/93/78/362449378.db2.gz UZSVYAFGRSLGEG-HNNXBMFYSA-N 1 0 272.396 2.296 10 0 CEAERO [NH3+][C@H](CF)c1ccc(I)cc1 ZINC000238685014 344607524 /nfs/dbraw/zinc/60/75/24/344607524.db2.gz NVRNYKAZRQWZDP-MRVPVSSYSA-N 1 0 265.069 2.261 10 0 CEAERO CC[C@@H]1CN(C(=O)N[C@H](C)C(C)(C)C)CC[N@@H+]1CCOC ZINC000247116515 344619672 /nfs/dbraw/zinc/61/96/72/344619672.db2.gz NQMIFFCTGANSAY-ZIAGYGMSSA-N 1 0 299.459 2.173 10 0 CEAERO C[C@@H]([C@H]([NH3+])c1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000307144017 344720191 /nfs/dbraw/zinc/72/01/91/344720191.db2.gz LKTXRDJQQSLQOD-NHYWBVRUSA-N 1 0 280.327 2.371 10 0 CEAERO Cc1cc(C[NH3+])cc(N2C(=O)c3ccccc3C2=O)c1 ZINC000307633657 344724053 /nfs/dbraw/zinc/72/40/53/344724053.db2.gz OGFYJHHNQSXJSW-UHFFFAOYSA-N 1 0 266.300 2.254 10 0 CEAERO C[C@@H]1CCC[C@@H]1C[NH2+]C[C@H](O)COCc1ccco1 ZINC000300309646 344699302 /nfs/dbraw/zinc/69/93/02/344699302.db2.gz PZEGHMRDMGYXLH-MCIONIFRSA-N 1 0 267.369 2.183 10 0 CEAERO CS[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000300408822 344699823 /nfs/dbraw/zinc/69/98/23/344699823.db2.gz AZRPEEGMKFAKIH-WUHRBBMRSA-N 1 0 270.442 2.152 10 0 CEAERO O[C@@H](c1ccc(Br)cc1Cl)C1C[NH2+]C1 ZINC000306637245 344715869 /nfs/dbraw/zinc/71/58/69/344715869.db2.gz FKYQBVYDSMTZJU-SNVBAGLBSA-N 1 0 276.561 2.355 10 0 CEAERO C[N@H+](C[C@@H]1CCc2nccn2C1)[C@H]1Cc2ccccc2[C@H]1O ZINC000328631957 344757282 /nfs/dbraw/zinc/75/72/82/344757282.db2.gz LAMBRAYMYNYIRA-QANKJYHBSA-N 1 0 297.402 2.036 10 0 CEAERO Cc1ncccc1C[N@H+](C)C[C@@H]1CCc2nccn2C1 ZINC000328645207 344758217 /nfs/dbraw/zinc/75/82/17/344758217.db2.gz SCRBGTAALXAKDK-AWEZNQCLSA-N 1 0 270.380 2.281 10 0 CEAERO [NH3+]C[C@@H]1CC[C@@H](c2nc(CCCc3ccccc3)no2)O1 ZINC000328611771 344755712 /nfs/dbraw/zinc/75/57/12/344755712.db2.gz MQYDVLZGDAGDJF-KBPBESRZSA-N 1 0 287.363 2.424 10 0 CEAERO Cc1ncsc1C[N@H+](C)C[C@H]1CCc2nccn2C1 ZINC000328625695 344756454 /nfs/dbraw/zinc/75/64/54/344756454.db2.gz DKXNAGJSUHGHBZ-GFCCVEGCSA-N 1 0 276.409 2.342 10 0 CEAERO COCC[C@H]([NH3+])Cc1cc(OC)ccc1Br ZINC000083709623 178722487 /nfs/dbraw/zinc/72/24/87/178722487.db2.gz ZZHCUZGEIWURKO-JTQLQIEISA-N 1 0 288.185 2.364 10 0 CEAERO CC(C)(C)OC(=O)N1CCCc2nc(C[NH3+])ccc21 ZINC000393899847 344840724 /nfs/dbraw/zinc/84/07/24/344840724.db2.gz DCKHIBLVVGEXMB-UHFFFAOYSA-N 1 0 263.341 2.228 10 0 CEAERO CC[NH2+]CCCNc1cc(OC)c(C)cc1[N+](=O)[O-] ZINC000394039003 344841529 /nfs/dbraw/zinc/84/15/29/344841529.db2.gz JALVPWDQRLVOJO-UHFFFAOYSA-N 1 0 267.329 2.323 10 0 CEAERO OCCN1CCC[C@@H]([NH2+]Cc2ccc(F)cc2Cl)C1 ZINC000384749153 344829075 /nfs/dbraw/zinc/82/90/75/344829075.db2.gz RXBFSXKJFKKKHW-CYBMUJFWSA-N 1 0 286.778 2.025 10 0 CEAERO CCN1CCO[C@H](C[NH2+]C2CCC(CSC)CC2)C1 ZINC000385846800 344830795 /nfs/dbraw/zinc/83/07/95/344830795.db2.gz PADMUUVMZHLBHN-YMAMQOFZSA-N 1 0 286.485 2.219 10 0 CEAERO CC[C@@H]1CCC[C@@H]([NH2+]C2CCN(CCO)CC2)C1 ZINC000399191815 344857014 /nfs/dbraw/zinc/85/70/14/344857014.db2.gz QEYLJEIHHZCBMA-UKRRQHHQSA-N 1 0 254.418 2.002 10 0 CEAERO Nc1cc[nH+]cc1[C@@H](O)Cc1ccc(F)cc1F ZINC000083882387 178757325 /nfs/dbraw/zinc/75/73/25/178757325.db2.gz KTHMKDWGKPKDNJ-ZDUSSCGKSA-N 1 0 250.248 2.218 10 0 CEAERO CC(C)(C)c1csc(CN2CC[C@H]3OCC[NH2+][C@H]3C2)n1 ZINC000403985951 344878019 /nfs/dbraw/zinc/87/80/19/344878019.db2.gz CBNQILSRHSNGNC-NWDGAFQWSA-N 1 0 295.452 2.003 10 0 CEAERO c1ccc(-c2noc([C@@]34CCC[C@H]3C[NH2+]C4)n2)cc1 ZINC000407986759 344886449 /nfs/dbraw/zinc/88/64/49/344886449.db2.gz HMPDLAZETKCVNO-SWLSCSKDSA-N 1 0 255.321 2.378 10 0 CEAERO [NH3+][C@H](C[S@](=O)C1CCCCC1)c1ccc2c(c1)OCO2 ZINC000084040532 178776612 /nfs/dbraw/zinc/77/66/12/178776612.db2.gz MDPXDHFNKYXKSS-ZUOKHONESA-N 1 0 295.404 2.497 10 0 CEAERO C[C@@]1(Nc2ncc(C(F)(F)F)cn2)CCC[C@H]1[NH3+] ZINC000584614491 344965088 /nfs/dbraw/zinc/96/50/88/344965088.db2.gz SZJNKKUDYWPWKO-PSASIEDQSA-N 1 0 260.263 2.177 10 0 CEAERO [NH3+]C1(Cc2nc(COc3ccccc3)no2)CCCC1 ZINC000084144765 178801325 /nfs/dbraw/zinc/80/13/25/178801325.db2.gz YUFKIJDNVYIPLE-UHFFFAOYSA-N 1 0 273.336 2.463 10 0 CEAERO COCCC[NH2+]CCOc1ccc(C)cc1OC ZINC000053567844 362496990 /nfs/dbraw/zinc/49/69/90/362496990.db2.gz VFOWQPBGOBRJCX-UHFFFAOYSA-N 1 0 253.342 2.009 10 0 CEAERO CO[C@@H]1CCC[C@@H](OC(=O)CC2([NH3+])CCCC2)C1 ZINC000084148369 178804091 /nfs/dbraw/zinc/80/40/91/178804091.db2.gz UFFFVFBPVDEDMP-VXGBXAGGSA-N 1 0 255.358 2.149 10 0 CEAERO CC(C)([NH3+])CC(=O)N[C@H]1CCC[C@H](OCC(F)(F)F)C1 ZINC000084165475 178811395 /nfs/dbraw/zinc/81/13/95/178811395.db2.gz OIBLGFDTJCONQL-UWVGGRQHSA-N 1 0 296.333 2.120 10 0 CEAERO C[NH2+][C@@H](C)c1nc2cc(Br)cnc2[nH]1 ZINC000054053063 362507545 /nfs/dbraw/zinc/50/75/45/362507545.db2.gz JSLBUXMKLJXNKV-YFKPBYRVSA-N 1 0 255.119 2.001 10 0 CEAERO C[NH2+][C@H](C)c1nc2cc(Br)cnc2[nH]1 ZINC000054053064 362507685 /nfs/dbraw/zinc/50/76/85/362507685.db2.gz JSLBUXMKLJXNKV-RXMQYKEDSA-N 1 0 255.119 2.001 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000054307440 362526262 /nfs/dbraw/zinc/52/62/62/362526262.db2.gz GHGYVDPTPOTKSB-GFCCVEGCSA-N 1 0 284.363 2.405 10 0 CEAERO CC[C@H](CC[NH3+])S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000084270754 178837096 /nfs/dbraw/zinc/83/70/96/178837096.db2.gz NLZBPMCSZFWOGD-MRVPVSSYSA-N 1 0 279.764 2.380 10 0 CEAERO Cc1cccc(CS(=O)(=O)[C@@H](CC[NH3+])C(F)(F)F)c1 ZINC000084272259 178839088 /nfs/dbraw/zinc/83/90/88/178839088.db2.gz IMOUPNFWOKBCRD-NSHDSACASA-N 1 0 295.326 2.190 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@@H]1S(=O)(=O)CC1CCCC1 ZINC000084272698 178839707 /nfs/dbraw/zinc/83/97/07/178839707.db2.gz FITWUBFBOYQLRZ-OLZOCXBDSA-N 1 0 259.415 2.109 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1S(=O)(=O)Cc1ccccc1 ZINC000084268925 178836020 /nfs/dbraw/zinc/83/60/20/178836020.db2.gz HJZCAKQQLCNPKE-UONOGXRCSA-N 1 0 267.394 2.119 10 0 CEAERO CCn1nc(C[N@@H+]2CCC[C@@H](O)[C@H]2C)c2ccccc21 ZINC000295105508 199346808 /nfs/dbraw/zinc/34/68/08/199346808.db2.gz VMNGJLLOJBFJDT-MLGOLLRUSA-N 1 0 273.380 2.401 10 0 CEAERO CC[NH2+][C@](C)(C[C@@H](C)Oc1ccccc1C)C(N)=O ZINC000084393854 178880519 /nfs/dbraw/zinc/88/05/19/178880519.db2.gz AEKDQEIBGVGDIR-IUODEOHRSA-N 1 0 264.369 2.006 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(CC(C)C)C2CC2)C1 ZINC000057870481 362597739 /nfs/dbraw/zinc/59/77/39/362597739.db2.gz GUEDMDXUIGAZFX-CYBMUJFWSA-N 1 0 267.417 2.301 10 0 CEAERO [NH3+]CCC[C@H]1CCCN1C(=O)c1cccc(F)c1 ZINC000084585243 178900772 /nfs/dbraw/zinc/90/07/72/178900772.db2.gz GFJBYPXMXUPOKI-ZDUSSCGKSA-N 1 0 250.317 2.169 10 0 CEAERO CCC[NH2+][C@@H](c1cc(CC)nn1C)[C@@H]1CCOC1 ZINC000097181983 185557700 /nfs/dbraw/zinc/55/77/00/185557700.db2.gz SOWPAZDBCCHQPX-BXUZGUMPSA-N 1 0 251.374 2.060 10 0 CEAERO Cn1nc(C[C@@](C)(O)C[NH2+]C(C)(C)C)c2ccccc21 ZINC000097210629 185564538 /nfs/dbraw/zinc/56/45/38/185564538.db2.gz LCEPJPMJFRLSDR-MRXNPFEDSA-N 1 0 275.396 2.255 10 0 CEAERO O[C@@H]1C[NH2+][C@H](CNc2ccc(-c3ccccc3)cc2)C1 ZINC000097244333 185572391 /nfs/dbraw/zinc/57/23/91/185572391.db2.gz WVAIQRPULAOBMA-IRXDYDNUSA-N 1 0 268.360 2.488 10 0 CEAERO C[NH2+][C@@H](Cc1nn(C)c2ccccc12)C[C@@H](C)COC ZINC000097279445 185577614 /nfs/dbraw/zinc/57/76/14/185577614.db2.gz UWUPUPHEAJWCHY-CHWSQXEVSA-N 1 0 275.396 2.376 10 0 CEAERO C[NH2+][C@H](CCc1ccncc1)Cc1ncnn1CC(C)C ZINC000097278260 185578352 /nfs/dbraw/zinc/57/83/52/185578352.db2.gz BHCDJFUTGWSATG-OAHLLOKOSA-N 1 0 287.411 2.092 10 0 CEAERO CCCn1ncnc1C[C@@H]([NH3+])C1CCC(F)(F)CC1 ZINC000097282109 185578846 /nfs/dbraw/zinc/57/88/46/185578846.db2.gz QGJBSWXKVYTINM-LLVKDONJSA-N 1 0 272.343 2.383 10 0 CEAERO CC[NH2+][C@@](C)(CCCOC1C[C@H](C)C[C@H](C)C1)C(N)=O ZINC000084963000 178934955 /nfs/dbraw/zinc/93/49/55/178934955.db2.gz ZXQODJKOHHDTGC-DXBFTMOHSA-N 1 0 284.444 2.461 10 0 CEAERO C[C@H]1CC(NC(=O)C[NH2+]C2CCCC2)C[C@H](C)C1 ZINC000084977527 178937286 /nfs/dbraw/zinc/93/72/86/178937286.db2.gz FWBPBUJUWGCHSR-VXGBXAGGSA-N 1 0 252.402 2.460 10 0 CEAERO CC[NH2+][C@H](Cc1cccnc1)c1cc(C)nnc1C ZINC000097390830 185597446 /nfs/dbraw/zinc/59/74/46/185597446.db2.gz RGNRTUTYKPFISN-OAHLLOKOSA-N 1 0 256.353 2.382 10 0 CEAERO COCCOc1ccccc1[C@H]([NH3+])C[C@@H](C)COC ZINC000097415070 185598880 /nfs/dbraw/zinc/59/88/80/185598880.db2.gz KZUQWPMOCUGNDQ-TZMCWYRMSA-N 1 0 267.369 2.384 10 0 CEAERO CCOc1cncc([C@H](C[C@@H](C)COC)[NH2+]C)c1 ZINC000097381581 185594256 /nfs/dbraw/zinc/59/42/56/185594256.db2.gz CGWSDXBGYSKWHN-RISCZKNCSA-N 1 0 252.358 2.413 10 0 CEAERO CCC[NH2+][C@@H](CCCOCC)Cc1ccn(C)n1 ZINC000097380510 185594338 /nfs/dbraw/zinc/59/43/38/185594338.db2.gz PDIFCQMUAFUFCY-ZDUSSCGKSA-N 1 0 253.390 2.148 10 0 CEAERO CC[C@H]([NH3+])[C@]1(CC(=O)OC)CCOc2ccccc21 ZINC000097432376 185602621 /nfs/dbraw/zinc/60/26/21/185602621.db2.gz DGRBPQCGARFLKG-ZFWWWQNUSA-N 1 0 263.337 2.007 10 0 CEAERO CCc1cc([C@@H]([NH2+]C)[C@@H](C)CCOC)n(CC)n1 ZINC000097424688 185601149 /nfs/dbraw/zinc/60/11/49/185601149.db2.gz UIEHXIIOAVUHSY-FZMZJTMJSA-N 1 0 253.390 2.399 10 0 CEAERO COC(=O)C[C@](C)(C[NH3+])CCc1ccc(OC)cc1 ZINC000097430354 185601230 /nfs/dbraw/zinc/60/12/30/185601230.db2.gz PIJYPTKKDMVHGL-OAHLLOKOSA-N 1 0 265.353 2.156 10 0 CEAERO CN1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)CCC1=O ZINC000085134203 178954708 /nfs/dbraw/zinc/95/47/08/178954708.db2.gz JTNKKTSUKLRMBX-OUAUKWLOSA-N 1 0 278.318 2.318 10 0 CEAERO COc1ccc([C@H](SC[C@H](C)CO)[C@@H](C)[NH3+])cc1 ZINC000097459162 185610208 /nfs/dbraw/zinc/61/02/08/185610208.db2.gz IONFHJNJFGHHDC-JTNHKYCSSA-N 1 0 269.410 2.445 10 0 CEAERO CN(Cc1ccn(C2CCCC2)n1)C(C)(C)C[NH3+] ZINC000085172234 178961834 /nfs/dbraw/zinc/96/18/34/178961834.db2.gz XYIZMOFUGTVVHE-UHFFFAOYSA-N 1 0 250.390 2.167 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)CN(C)c1ccccc1F ZINC000085214739 178978529 /nfs/dbraw/zinc/97/85/29/178978529.db2.gz PKXJUBUZQKRENP-CQSZACIVSA-N 1 0 254.349 2.011 10 0 CEAERO CCc1ccc([C@H](C)[NH2+]CCCNS(=O)(=O)CC)cc1 ZINC000127566545 187316020 /nfs/dbraw/zinc/31/60/20/187316020.db2.gz RORFMCVIKHDHNE-ZDUSSCGKSA-N 1 0 298.452 2.229 10 0 CEAERO CC[NH+](CC)CC[C@@H](NN)c1cnc2ccccc2c1 ZINC000097591900 185634369 /nfs/dbraw/zinc/63/43/69/185634369.db2.gz VAKOPOPZVDJREF-MRXNPFEDSA-N 1 0 272.396 2.471 10 0 CEAERO COc1ccc(C)cc1[C@H](NN)C(C)(C)[NH+]1CCCC1 ZINC000097581254 185630171 /nfs/dbraw/zinc/63/01/71/185630171.db2.gz IHHCCESQRVNXKQ-HNNXBMFYSA-N 1 0 277.412 2.382 10 0 CEAERO CCOc1ccc([C@H](NN)[C@](C)(CC)[NH+](C)C)cc1 ZINC000097582963 185631265 /nfs/dbraw/zinc/63/12/65/185631265.db2.gz XNILVJHFRZJNKW-GJZGRUSLSA-N 1 0 265.401 2.320 10 0 CEAERO CC(C)Oc1cncc([C@H](NN)C2([NH+](C)C)CCCC2)c1 ZINC000097587743 185633362 /nfs/dbraw/zinc/63/33/62/185633362.db2.gz CAEHGRIMXRNUQC-HNNXBMFYSA-N 1 0 292.427 2.248 10 0 CEAERO CCC[NH2+][C@@H](CO)CN1CCC[C@H](C(C)(C)C)CC1 ZINC000085261512 178990979 /nfs/dbraw/zinc/99/09/79/178990979.db2.gz JUAYZTBQNGBBJY-LSDHHAIUSA-N 1 0 270.461 2.495 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)CCCOCC(F)(F)F ZINC000085282779 179000130 /nfs/dbraw/zinc/00/01/30/179000130.db2.gz ZVUXDLYOHADQOX-JTQLQIEISA-N 1 0 257.296 2.095 10 0 CEAERO [NH3+][C@H](CO)CCOc1ccccc1-c1ccccc1 ZINC000085283131 179000633 /nfs/dbraw/zinc/00/06/33/179000633.db2.gz TURFOLXMKDNFPH-AWEZNQCLSA-N 1 0 257.333 2.442 10 0 CEAERO Cc1cccc(OC[C@]([NH3+])(CO)c2ccccc2)c1 ZINC000085284895 179002565 /nfs/dbraw/zinc/00/25/65/179002565.db2.gz DFKYSQSSNXOGMV-MRXNPFEDSA-N 1 0 257.333 2.220 10 0 CEAERO CCC[NH2+][C@@](C)(CO)CCOc1ccc(F)cc1 ZINC000085285084 179002569 /nfs/dbraw/zinc/00/25/69/179002569.db2.gz BPEVHBKDCXAXDU-CQSZACIVSA-N 1 0 255.333 2.345 10 0 CEAERO CC[NH2+][C@@](C)(CO)C[C@H](C)Oc1cccc(OC)c1 ZINC000085284007 179001913 /nfs/dbraw/zinc/00/19/13/179001913.db2.gz CGOMQPIHLHYMRQ-SWLSCSKDSA-N 1 0 267.369 2.213 10 0 CEAERO CCc1ccc(O[C@H](C)C[C@@](C)(CO)[NH2+]C)cc1 ZINC000085284096 179002264 /nfs/dbraw/zinc/00/22/64/179002264.db2.gz ROBIVYBSLMSSEF-DOMZBBRYSA-N 1 0 251.370 2.377 10 0 CEAERO CC[NH2+][C@](C)(CO)CCCOc1cc(F)cc(F)c1 ZINC000085265226 178995370 /nfs/dbraw/zinc/99/53/70/178995370.db2.gz ZPKBYDMWDABEHC-AWEZNQCLSA-N 1 0 273.323 2.484 10 0 CEAERO CCC[NH2+][C@@](C)(CO)COc1cc(F)cc(F)c1 ZINC000085265221 178995421 /nfs/dbraw/zinc/99/54/21/178995421.db2.gz QRSZGDQRHBCJLR-ZDUSSCGKSA-N 1 0 259.296 2.094 10 0 CEAERO [NH3+][C@](CO)(COc1cccc2ccccc21)C1CC1 ZINC000085285564 179003583 /nfs/dbraw/zinc/00/35/83/179003583.db2.gz CTROMCXGTSFEIL-MRXNPFEDSA-N 1 0 257.333 2.318 10 0 CEAERO CC[NH2+][C@@](C)(CO)C[C@@H](C)Oc1ccccc1OC ZINC000085285345 179003666 /nfs/dbraw/zinc/00/36/66/179003666.db2.gz RVIKKEPUGKWJIE-IUODEOHRSA-N 1 0 267.369 2.213 10 0 CEAERO CC[NH2+][C@H](CO)COc1cccc(C(C)(C)C)c1 ZINC000085286488 179004143 /nfs/dbraw/zinc/00/41/43/179004143.db2.gz METAQSVBKSXVMF-CYBMUJFWSA-N 1 0 251.370 2.333 10 0 CEAERO Cc1ccc2[nH]c(SC[C@H](CO)[NH2+]C3CC3)nc2c1 ZINC000085288334 179005440 /nfs/dbraw/zinc/00/54/40/179005440.db2.gz SVHSZRXXCNZWTE-NSHDSACASA-N 1 0 277.393 2.076 10 0 CEAERO CCC[NH2+][C@](C)(CO)CCCSCCCOC ZINC000085289991 179006070 /nfs/dbraw/zinc/00/60/70/179006070.db2.gz KTYLOLDTVYWNEP-ZDUSSCGKSA-N 1 0 263.447 2.287 10 0 CEAERO C[C@@]([NH3+])(CO)CCCSc1nc2ccccc2[nH]1 ZINC000085291743 179007147 /nfs/dbraw/zinc/00/71/47/179007147.db2.gz COTWNTIUAFQHBC-ZDUSSCGKSA-N 1 0 265.382 2.145 10 0 CEAERO C[NH2+][C@@](CO)(CSc1nc2ccccc2[nH]1)C1CC1 ZINC000085291752 179007340 /nfs/dbraw/zinc/00/73/40/179007340.db2.gz IWGRHIBGSJYVEX-AWEZNQCLSA-N 1 0 277.393 2.016 10 0 CEAERO C[NH2+][C@](CO)(CSc1cccc(OC)c1)C1CC1 ZINC000085291166 179007448 /nfs/dbraw/zinc/00/74/48/179007448.db2.gz QAFJMWCKITXKPN-CQSZACIVSA-N 1 0 267.394 2.148 10 0 CEAERO CC[NH2+][C@H](CO)CCSc1nc2ccccc2o1 ZINC000085292341 179007765 /nfs/dbraw/zinc/00/77/65/179007765.db2.gz ROWIVTZJRVOKDS-JTQLQIEISA-N 1 0 266.366 2.280 10 0 CEAERO C[NH2+][C@](CO)(CSc1ccccn1)c1ccccc1 ZINC000085292011 179008033 /nfs/dbraw/zinc/00/80/33/179008033.db2.gz HXKGUVKBSSUNSL-OAHLLOKOSA-N 1 0 274.389 2.281 10 0 CEAERO CCCN(CCCC[C@@](C)(O)C[NH3+])CC(F)(F)F ZINC000085300664 179009934 /nfs/dbraw/zinc/00/99/34/179009934.db2.gz MLBXWUOADUKKDG-LLVKDONJSA-N 1 0 270.339 2.141 10 0 CEAERO COCCSCCCC[C@@](C)(CO)[NH2+]C(C)C ZINC000085298020 179009377 /nfs/dbraw/zinc/00/93/77/179009377.db2.gz CQCOVJDKCNKZAN-ZDUSSCGKSA-N 1 0 263.447 2.285 10 0 CEAERO COc1ccccc1SCCC[C@@](C)([NH3+])CO ZINC000085297573 179009451 /nfs/dbraw/zinc/00/94/51/179009451.db2.gz RBHHLSLNBGJZSF-CYBMUJFWSA-N 1 0 255.383 2.277 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)CCOc1ccc(F)cc1 ZINC000085285154 179002993 /nfs/dbraw/zinc/00/29/93/179002993.db2.gz DJSBRMLHCKFYAV-AWEZNQCLSA-N 1 0 255.333 2.344 10 0 CEAERO CCOC1([C@@H](Cc2c[nH+]ccc2N)NN)CCCCCC1 ZINC000097668415 185647990 /nfs/dbraw/zinc/64/79/90/185647990.db2.gz ZYXSALYKXZIJQK-OAHLLOKOSA-N 1 0 292.427 2.168 10 0 CEAERO CCCCN(C[C@](O)(C[NH3+])C1CC1)c1ccccc1 ZINC000085301957 179011401 /nfs/dbraw/zinc/01/14/01/179011401.db2.gz NDWCZAMLKVODRO-MRXNPFEDSA-N 1 0 262.397 2.393 10 0 CEAERO C[C@@H](C[C@@](C)(O)C[NH3+])n1ccnc1-c1ccccc1 ZINC000085304761 179012037 /nfs/dbraw/zinc/01/20/37/179012037.db2.gz GBNUOAOQBLTAQS-SWLSCSKDSA-N 1 0 259.353 2.211 10 0 CEAERO C[C@H](C[C@](C)(O)C[NH3+])OCCCc1ccccc1 ZINC000085305255 179012120 /nfs/dbraw/zinc/01/21/20/179012120.db2.gz PDODOFLXQVSBFX-HIFRSBDPSA-N 1 0 251.370 2.124 10 0 CEAERO CCOc1cccc(OCCCC[C@@](C)(O)C[NH3+])c1 ZINC000085304924 179012257 /nfs/dbraw/zinc/01/22/57/179012257.db2.gz NZYJPBZPYOBCII-OAHLLOKOSA-N 1 0 267.369 2.344 10 0 CEAERO CC(C)C[C@H](C)OC[C@](O)(C[NH3+])c1ccccc1 ZINC000085306192 179012852 /nfs/dbraw/zinc/01/28/52/179012852.db2.gz UWRDCXFZUNYHGM-DZGCQCFKSA-N 1 0 251.370 2.284 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1c1nnc2ccc(C(F)(F)F)cn21 ZINC000085324978 179017927 /nfs/dbraw/zinc/01/79/27/179017927.db2.gz JLZTZDQSQWLBPQ-DTWKUNHWSA-N 1 0 270.258 2.343 10 0 CEAERO COc1ccc(COC(=O)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000085331194 179020748 /nfs/dbraw/zinc/02/07/48/179020748.db2.gz GCLXITOSCAQBQP-ZIAGYGMSSA-N 1 0 263.337 2.256 10 0 CEAERO CC(=O)Nc1cccc(NC(=O)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000085357426 179030640 /nfs/dbraw/zinc/03/06/40/179030640.db2.gz LPTRSKURVLXDFG-UONOGXRCSA-N 1 0 275.352 2.101 10 0 CEAERO COc1c(C)ccc(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])c1C ZINC000085359551 179032059 /nfs/dbraw/zinc/03/20/59/179032059.db2.gz KMSHQDMFBSIIJN-NEPJUHHUSA-N 1 0 262.353 2.378 10 0 CEAERO CC(C)C(=O)Nc1ccc(NC(=O)[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000085360889 179032891 /nfs/dbraw/zinc/03/28/91/179032891.db2.gz JYAJTRIGQZYJFX-UONOGXRCSA-N 1 0 289.379 2.347 10 0 CEAERO CN(C)c1ccc(Cl)cc1NC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085363500 179034568 /nfs/dbraw/zinc/03/45/68/179034568.db2.gz DWKSBTOBKPGNTD-GHMZBOCLSA-N 1 0 281.787 2.472 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000085364641 179036108 /nfs/dbraw/zinc/03/61/08/179036108.db2.gz ZKWQFZBMKFYMDK-CHWSQXEVSA-N 1 0 260.337 2.078 10 0 CEAERO CC[C@H](c1ncc(Br)s1)N1CC[NH2+]CC1 ZINC000085352095 179029611 /nfs/dbraw/zinc/02/96/11/179029611.db2.gz XWOAXSYVTNMULW-MRVPVSSYSA-N 1 0 290.230 2.262 10 0 CEAERO CC[C@H]([NH3+])CSCc1csc(NC(C)=O)n1 ZINC000085349239 179029817 /nfs/dbraw/zinc/02/98/17/179029817.db2.gz QZYYTQKDBRZRBM-QMMMGPOBSA-N 1 0 259.400 2.072 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)N(Cc1ccco1)CC(F)(F)F ZINC000085366997 179037036 /nfs/dbraw/zinc/03/70/36/179037036.db2.gz CGYOJYKRADJMHH-WDEREUQCSA-N 1 0 290.285 2.298 10 0 CEAERO Cc1nn(C(C)C)c(C)c1NC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085366369 179037092 /nfs/dbraw/zinc/03/70/92/179037092.db2.gz OACZULNIPPJOCM-NWDGAFQWSA-N 1 0 264.373 2.147 10 0 CEAERO CCN(Cc1cccs1)C(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085367961 179037499 /nfs/dbraw/zinc/03/74/99/179037499.db2.gz OFNXKVJSYQMQDA-NWDGAFQWSA-N 1 0 252.383 2.224 10 0 CEAERO COc1ccc(CN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C2CC2)cc1 ZINC000085367187 179037752 /nfs/dbraw/zinc/03/77/52/179037752.db2.gz URLGTHWSKMKFRD-CVEARBPZSA-N 1 0 288.391 2.314 10 0 CEAERO COc1ccccc1[C@H](C)N(C)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085368148 179038278 /nfs/dbraw/zinc/03/82/78/179038278.db2.gz YYUGCOIBMJTFJI-UBHSHLNASA-N 1 0 276.380 2.342 10 0 CEAERO CN(CCc1ccccc1)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085368715 179038729 /nfs/dbraw/zinc/03/87/29/179038729.db2.gz UHVJYMNMZFYOPH-GJZGRUSLSA-N 1 0 260.381 2.205 10 0 CEAERO C[C@@H](CNC(=O)[C@@H]1CCCC[C@@H]1[NH3+])c1ccccc1 ZINC000085372054 179041598 /nfs/dbraw/zinc/04/15/98/179041598.db2.gz OEMHZUPVJNAEPE-CFVMTHIKSA-N 1 0 260.381 2.424 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)NCc1ccccc1OC(F)F ZINC000085371970 179041825 /nfs/dbraw/zinc/04/18/25/179041825.db2.gz FSXXKHHVBRWFIM-QWRGUYRKSA-N 1 0 284.306 2.032 10 0 CEAERO CN(C(=O)[C@@H]1CCCC[C@H]1[NH3+])c1ccccc1F ZINC000085373575 179042823 /nfs/dbraw/zinc/04/28/23/179042823.db2.gz VJKABRHKSGSFME-ZYHUDNBSSA-N 1 0 250.317 2.306 10 0 CEAERO CC(C)Oc1ccccc1[C@@H](C)NC(=O)[C@@H]1CC[NH2+]C1 ZINC000062114173 362707444 /nfs/dbraw/zinc/70/74/44/362707444.db2.gz NOZRZRSBQOLIMB-CHWSQXEVSA-N 1 0 276.380 2.261 10 0 CEAERO COC(C[NH2+][C@H]1C[C@H](OCC(C)C)C1(C)C)OC ZINC000085400639 179051999 /nfs/dbraw/zinc/05/19/99/179051999.db2.gz LSWXZYMAQHSPIQ-RYUDHWBXSA-N 1 0 259.390 2.035 10 0 CEAERO c1ccc2c(c1)CCC[C@@H]2CN1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC000085403079 179053319 /nfs/dbraw/zinc/05/33/19/179053319.db2.gz UMPBQUBOQQDGRZ-HLLBOEOZSA-N 1 0 256.393 2.400 10 0 CEAERO CC(C)(C[NH3+])c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C3(C)C)cc1 ZINC000085404195 179054029 /nfs/dbraw/zinc/05/40/29/179054029.db2.gz BNIHYUKNLXAAAB-BETUJISGSA-N 1 0 286.375 2.068 10 0 CEAERO CC[NH2+]C1CCC(N(C)S(=O)(=O)C2CCCC2)CC1 ZINC000097834537 185672566 /nfs/dbraw/zinc/67/25/66/185672566.db2.gz JFDPSTVQRHIEPB-UHFFFAOYSA-N 1 0 288.457 2.111 10 0 CEAERO c1ccc(OCCCN2CC[NH2+][C@H](C3CC3)C2)cc1 ZINC000085434889 179060868 /nfs/dbraw/zinc/06/08/68/179060868.db2.gz JZAAOSQLCBBJRY-INIZCTEOSA-N 1 0 260.381 2.139 10 0 CEAERO COCCC[N@@H+]1C[C@H](C(C)C)NC[C@@H]1CC(C)C ZINC000085466850 179072839 /nfs/dbraw/zinc/07/28/39/179072839.db2.gz VTZTXGWDHFHCGR-LSDHHAIUSA-N 1 0 256.434 2.367 10 0 CEAERO CC[C@@H](C)[C@@H]1C[N@@H+]([C@@H]2CCC[C@H](OC)C2)CCN1 ZINC000085449986 179065480 /nfs/dbraw/zinc/06/54/80/179065480.db2.gz SXXRLCHUUXBVGE-KBXIAJHMSA-N 1 0 254.418 2.264 10 0 CEAERO c1cc(CN2CC[NH2+]C[C@H]2C2CC2)cc2c1CCC2 ZINC000085451446 179065999 /nfs/dbraw/zinc/06/59/99/179065999.db2.gz QMIHWUIYIXQVOP-KRWDZBQOSA-N 1 0 256.393 2.359 10 0 CEAERO CCC[C@@H]1CN[C@H](C)C[N@@H+]1[C@@H]1CCC[C@H](OC)C1 ZINC000085453508 179066720 /nfs/dbraw/zinc/06/67/20/179066720.db2.gz ODFUVUKLZWKPCM-TUVASFSCSA-N 1 0 254.418 2.406 10 0 CEAERO CCn1cc(CN2C[C@@H](C)[NH2+]CC2(CC)CC)cn1 ZINC000085454324 179066811 /nfs/dbraw/zinc/06/68/11/179066811.db2.gz JHWWKDTVMGGYMI-CYBMUJFWSA-N 1 0 264.417 2.256 10 0 CEAERO CC[C@]1(C)CN[C@H](C)C[N@@H+]1CCCOCC(F)(F)F ZINC000085454204 179066893 /nfs/dbraw/zinc/06/68/93/179066893.db2.gz MJOJKQXQBPZWNF-VXGBXAGGSA-N 1 0 282.350 2.418 10 0 CEAERO CCC[C@H]1CN(CCCn2ccnc2)C(C)(C)C[NH2+]1 ZINC000085455483 179068049 /nfs/dbraw/zinc/06/80/49/179068049.db2.gz JUGXWAWSRQJUSZ-AWEZNQCLSA-N 1 0 264.417 2.126 10 0 CEAERO C[C@@H]1C[N@H+](C[C@@H]2CCOC2)[C@H](c2ccccc2)CN1 ZINC000085454534 179068111 /nfs/dbraw/zinc/06/81/11/179068111.db2.gz CYUMUYVLRNOYIS-YCPHGPKFSA-N 1 0 260.381 2.058 10 0 CEAERO CC[C@@H]1C[N@H+](CCOC)[C@H](C2CCCCC2)CN1 ZINC000085473950 179077921 /nfs/dbraw/zinc/07/79/21/179077921.db2.gz DYQCXRHEYBNMKF-CABCVRRESA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@@H]1C[N@H+](CCCOC)C2(CCCCC2)CN1 ZINC000085474919 179078532 /nfs/dbraw/zinc/07/85/32/179078532.db2.gz VXYVBBHUAHHCIT-CQSZACIVSA-N 1 0 254.418 2.410 10 0 CEAERO CC(C)[C@H]1CN[C@H](C(C)(C)C)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085475961 179078578 /nfs/dbraw/zinc/07/85/78/179078578.db2.gz VFDMRFSNWXDCFH-ZNMIVQPWSA-N 1 0 268.445 2.367 10 0 CEAERO CC[C@@H]1CN[C@H](CC(C)C)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085487460 179081378 /nfs/dbraw/zinc/08/13/78/179081378.db2.gz RIHSKLHGZMUVNP-RRFJBIMHSA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@@H](C)[C@H]1CN(C[C@@H]2CCCO2)C(C)(C)C[NH2+]1 ZINC000085492917 179082109 /nfs/dbraw/zinc/08/21/09/179082109.db2.gz SNZXDGXHDHYFLU-HZSPNIEDSA-N 1 0 254.418 2.264 10 0 CEAERO CCn1cc(CN2CC(C)(C)[NH2+]C[C@@]2(C)CC)cn1 ZINC000085471246 179075852 /nfs/dbraw/zinc/07/58/52/179075852.db2.gz VEXRKLNKXZRAAV-OAHLLOKOSA-N 1 0 264.417 2.256 10 0 CEAERO CC1(C)C[N@H+](C[C@H]2CCOC2)C2(CCCCC2)CN1 ZINC000085471525 179076301 /nfs/dbraw/zinc/07/63/01/179076301.db2.gz WHNJRWZNVNAISG-CQSZACIVSA-N 1 0 266.429 2.410 10 0 CEAERO CC[C@]1(C)CNC(C)(C)C[N@@H+]1CCCn1ccnc1 ZINC000085471143 179076416 /nfs/dbraw/zinc/07/64/16/179076416.db2.gz ONCSETJWCWRZEU-OAHLLOKOSA-N 1 0 264.417 2.126 10 0 CEAERO CC[C@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1ccccn1 ZINC000085510428 179085680 /nfs/dbraw/zinc/08/56/80/179085680.db2.gz FJQZVIGZGDZQRG-HOTGVXAUSA-N 1 0 259.397 2.434 10 0 CEAERO CC[C@H]1C[NH2+][C@@](C)(C2CC2)CN1CCOCC(F)(F)F ZINC000085510089 179085726 /nfs/dbraw/zinc/08/57/26/179085726.db2.gz IRCJXLOGCBXOTG-QWHCGFSZSA-N 1 0 294.361 2.418 10 0 CEAERO CC[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1ccccn1 ZINC000085510412 179086102 /nfs/dbraw/zinc/08/61/02/179086102.db2.gz FJQZVIGZGDZQRG-HZPDHXFCSA-N 1 0 259.397 2.434 10 0 CEAERO CCC1(CC)CN([C@@H]2CCOC2)[C@@](C)(CC)C[NH2+]1 ZINC000085520224 179087571 /nfs/dbraw/zinc/08/75/71/179087571.db2.gz XVIDTZLVWYSRBE-KGLIPLIRSA-N 1 0 254.418 2.408 10 0 CEAERO C[C@@]1(C2CC2)CN(CC(F)F)[C@](C)(C2CC2)C[NH2+]1 ZINC000085516110 179087848 /nfs/dbraw/zinc/08/78/48/179087848.db2.gz ODHPEMXMCNQXTM-KBPBESRZSA-N 1 0 258.356 2.494 10 0 CEAERO CC[C@H]1C[NH2+]C(CC)(CC)CN1Cc1cnn(C)c1 ZINC000085517561 179087859 /nfs/dbraw/zinc/08/78/59/179087859.db2.gz SMQSCHWQGCXRHJ-AWEZNQCLSA-N 1 0 264.417 2.163 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@](C)(CC)CN1Cc1ncccn1 ZINC000085494982 179082625 /nfs/dbraw/zinc/08/26/25/179082625.db2.gz VBWOVCYWZMDSHX-HIFRSBDPSA-N 1 0 262.401 2.219 10 0 CEAERO CC[C@]1(C)C[NH2+]C2(CCCC2)CN1[C@@H]1CCOC1 ZINC000085498622 179083167 /nfs/dbraw/zinc/08/31/67/179083167.db2.gz ZVQIVRFATZFLRG-ZIAGYGMSSA-N 1 0 252.402 2.162 10 0 CEAERO COCCC[N@@H+]1CC2(CCCC2)NC[C@@H]1C(C)C ZINC000085498027 179083845 /nfs/dbraw/zinc/08/38/45/179083845.db2.gz LKUHIRWZDBINEX-CQSZACIVSA-N 1 0 254.418 2.266 10 0 CEAERO CC(C)OCCN1CC2(CCCC2)[NH2+]C[C@H]1C1CC1 ZINC000085498231 179083872 /nfs/dbraw/zinc/08/38/72/179083872.db2.gz CHLCKLHDQKTCIB-HNNXBMFYSA-N 1 0 266.429 2.408 10 0 CEAERO COCC[N@@H+]1C[C@H](c2ccccc2)NC[C@@H]1C(C)C ZINC000085506381 179084626 /nfs/dbraw/zinc/08/46/26/179084626.db2.gz SJEVIJIKIBIPME-HZPDHXFCSA-N 1 0 262.397 2.304 10 0 CEAERO C([C@@H]1CCOC1)[N@@H+]1C[C@H](C2CC2)NCC12CCCC2 ZINC000085529181 179091242 /nfs/dbraw/zinc/09/12/42/179091242.db2.gz AIYCLMKZYPLBLB-DZGCQCFKSA-N 1 0 264.413 2.020 10 0 CEAERO CC[C@@H]1CN[C@@](C)(c2ccccc2)C[N@@H+]1[C@@H]1CCOC1 ZINC000085531923 179091316 /nfs/dbraw/zinc/09/13/16/179091316.db2.gz GYDQDCJRCSZANK-BRWVUGGUSA-N 1 0 274.408 2.375 10 0 CEAERO C[C@]1(C2CC2)CN[C@H](C2CC2)C[N@@H+]1C[C@@H]1CCCCO1 ZINC000085529424 179091584 /nfs/dbraw/zinc/09/15/84/179091584.db2.gz ALCHWPLITKZYIX-YESZJQIVSA-N 1 0 278.440 2.408 10 0 CEAERO C[C@@]1(C2CC2)C[NH2+][C@H](C2CC2)CN1CC(F)(F)F ZINC000085529455 179091656 /nfs/dbraw/zinc/09/16/56/179091656.db2.gz OTNMASNLTSAVAE-RYUDHWBXSA-N 1 0 262.319 2.401 10 0 CEAERO C[C@@]1(C2CC2)CN[C@@H](C2CC2)C[N@@H+]1C[C@@H]1CCCCO1 ZINC000085529427 179091675 /nfs/dbraw/zinc/09/16/75/179091675.db2.gz ALCHWPLITKZYIX-BBWFWOEESA-N 1 0 278.440 2.408 10 0 CEAERO C[C@@H]1C[NH2+][C@@](C)(c2ccccc2)CN1Cc1cnn(C)c1 ZINC000085531823 179091720 /nfs/dbraw/zinc/09/17/20/179091720.db2.gz WIHAMYFYBLZFDE-RHSMWYFYSA-N 1 0 284.407 2.129 10 0 CEAERO CCc1nc2c(n1-c1ccc(OC)c(F)c1)CC[NH2+]C2 ZINC000085570038 179095799 /nfs/dbraw/zinc/09/57/99/179095799.db2.gz PBNJHBDYZUYPAS-UHFFFAOYSA-N 1 0 275.327 2.228 10 0 CEAERO CO[C@@H]1CCC[C@H]1n1c(CC(C)C)nc2c1CC[NH2+]C2 ZINC000085570795 179096650 /nfs/dbraw/zinc/09/66/50/179096650.db2.gz BFPVJCVUYXDJOH-HUUCEWRRSA-N 1 0 277.412 2.467 10 0 CEAERO c1ccc(C[C@@H]2CN(Cc3ccncc3)CCC[NH2+]2)cc1 ZINC000085608807 179101180 /nfs/dbraw/zinc/10/11/80/179101180.db2.gz UYLXUDFCVMSJTM-GOSISDBHSA-N 1 0 281.403 2.488 10 0 CEAERO C[C@@]1(C2CC2)CN(CCOCC(F)(F)F)CCC[NH2+]1 ZINC000085612959 179103413 /nfs/dbraw/zinc/10/34/13/179103413.db2.gz ZSZXCOLKVKYINH-LBPRGKRZSA-N 1 0 280.334 2.029 10 0 CEAERO C[C@H]1CC[NH2+][C@@H](c2ccccc2)CN1Cc1cnn(C)c1 ZINC000085621610 179106040 /nfs/dbraw/zinc/10/60/40/179106040.db2.gz VPAXWWWYBPROPD-WMLDXEAASA-N 1 0 284.407 2.345 10 0 CEAERO CCN(CC)CC[NH2+][C@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085670397 179111316 /nfs/dbraw/zinc/11/13/16/179111316.db2.gz OVGNIRILLUHRKB-IHRRRGAJSA-N 1 0 254.418 2.121 10 0 CEAERO CC(C)[C@@H](C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N(C)C ZINC000085671489 179111415 /nfs/dbraw/zinc/11/14/15/179111415.db2.gz MUCHKUVUHSVGLK-YJNKXOJESA-N 1 0 268.445 2.366 10 0 CEAERO Cc1nccc(C[NH2+][C@H]2[C@H]3CCCO[C@@H]3C2(C)C)n1 ZINC000085674995 179111937 /nfs/dbraw/zinc/11/19/37/179111937.db2.gz LGXYNNLBZXGCGD-RDBSUJKOSA-N 1 0 261.369 2.078 10 0 CEAERO CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2nncn2C)C12CCCC2 ZINC000085679525 179113109 /nfs/dbraw/zinc/11/31/09/179113109.db2.gz DYRBCSAKNPTERH-AVGNSLFASA-N 1 0 278.400 2.204 10 0 CEAERO CCC[NH2+]CCc1cc(OC)c(OC)cc1OC ZINC000085696769 179115954 /nfs/dbraw/zinc/11/59/54/179115954.db2.gz JEHJCLZEHUVAFK-UHFFFAOYSA-N 1 0 253.342 2.255 10 0 CEAERO CN(C)[C@@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccco1 ZINC000085630162 179107745 /nfs/dbraw/zinc/10/77/45/179107745.db2.gz HUDRFYCDFBJUFA-JURCDPSOSA-N 1 0 278.396 2.285 10 0 CEAERO C[NH2+]CCc1nnc(-c2ccncc2Cl)s1 ZINC000085705154 179120609 /nfs/dbraw/zinc/12/06/09/179120609.db2.gz LOQRJJVXDOKVLV-UHFFFAOYSA-N 1 0 254.746 2.015 10 0 CEAERO COc1ccc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)cc1O ZINC000128430830 187369876 /nfs/dbraw/zinc/36/98/76/187369876.db2.gz RHNONGCYRFYOQK-CYBMUJFWSA-N 1 0 287.363 2.124 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)Nc1ccc(Br)c(C)n1 ZINC000085729079 179132023 /nfs/dbraw/zinc/13/20/23/179132023.db2.gz VTFNVPWFJMUBAJ-QMMMGPOBSA-N 1 0 286.173 2.076 10 0 CEAERO CC(C)Oc1cc(NC[C@@]2(C)CCC[NH2+]C2)ncn1 ZINC000129307873 365843680 /nfs/dbraw/zinc/84/36/80/365843680.db2.gz VUWCFHIEDQQYJX-AWEZNQCLSA-N 1 0 264.373 2.065 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)C1(c2cc(C)cc(C)c2)CC1 ZINC000261664973 290799588 /nfs/dbraw/zinc/79/95/88/290799588.db2.gz GFPAYPWOHKOOPC-ZDUSSCGKSA-N 1 0 260.381 2.059 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@H](C1CCCC1)C(F)(F)F ZINC000236922711 370655685 /nfs/dbraw/zinc/65/56/85/370655685.db2.gz AELXXJMUQGIPCL-VHSXEESVSA-N 1 0 266.307 2.351 10 0 CEAERO C[NH2+][C@H](Cc1ccccc1Br)CN(C)C ZINC000085799219 179173367 /nfs/dbraw/zinc/17/33/67/179173367.db2.gz ZIXSDXJIJRGZCM-LLVKDONJSA-N 1 0 271.202 2.141 10 0 CEAERO Cc1ccc(C)c(CC(=O)NC[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000085965848 179205301 /nfs/dbraw/zinc/20/53/01/179205301.db2.gz ABNYYFBWAYSHIY-GDBMZVCRSA-N 1 0 274.408 2.480 10 0 CEAERO Cc1ccc(C)c(CC(=O)NC[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000085965839 179205386 /nfs/dbraw/zinc/20/53/86/179205386.db2.gz ABNYYFBWAYSHIY-HOCLYGCPSA-N 1 0 274.408 2.480 10 0 CEAERO COc1cccc(NC(=O)NC[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000085970283 179206889 /nfs/dbraw/zinc/20/68/89/179206889.db2.gz NPYACGTVIJASID-BXUZGUMPSA-N 1 0 277.368 2.334 10 0 CEAERO COc1nc2sccn2c1C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000085973265 179207179 /nfs/dbraw/zinc/20/71/79/179207179.db2.gz CJQGHEJOOHPFDM-JQWIXIFHSA-N 1 0 295.408 2.045 10 0 CEAERO CC[C@@]1(C)C[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)CCO1 ZINC000085973713 179207400 /nfs/dbraw/zinc/20/74/00/179207400.db2.gz AJVFSSCKRIDMSO-XGUBFFRZSA-N 1 0 255.402 2.475 10 0 CEAERO C[NH2+][C@H](CCO)COc1ccc(C(C)C)c(C)c1 ZINC000085924413 179201062 /nfs/dbraw/zinc/20/10/62/179201062.db2.gz FSQRAXZCBRSWNY-CYBMUJFWSA-N 1 0 251.370 2.468 10 0 CEAERO CCC[NH2+][C@H](CCO)Cn1cnc2cc(C)c(C)cc21 ZINC000085923299 179201225 /nfs/dbraw/zinc/20/12/25/179201225.db2.gz WSTAXVQBICAIAB-CQSZACIVSA-N 1 0 275.396 2.404 10 0 CEAERO O[C@H]1CCCC[C@@H]1C[NH2+]CC1(O)CCCCCC1 ZINC000085987280 179213066 /nfs/dbraw/zinc/21/30/66/179213066.db2.gz BCKIWZHORDNSKV-KGLIPLIRSA-N 1 0 255.402 2.212 10 0 CEAERO C[C@H](O)CC[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000085989403 179213371 /nfs/dbraw/zinc/21/33/71/179213371.db2.gz NSSHHQAJHGCNGR-JOYOIKCWSA-N 1 0 277.286 2.099 10 0 CEAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CC(=O)N(C3CCCCC3)C2=O)[C@@H]1C ZINC000086075149 179225041 /nfs/dbraw/zinc/22/50/41/179225041.db2.gz QKRDGZXBMNLXEV-RJZRQDKASA-N 1 0 292.423 2.471 10 0 CEAERO CC[NH2+][C@H](Cc1cc(C)ccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000086026880 179220045 /nfs/dbraw/zinc/22/00/45/179220045.db2.gz AGJALYXKQJRYLH-GOEBONIOSA-N 1 0 295.448 2.259 10 0 CEAERO CCC[NH2+][C@@H]1CC[C@H](S(=O)(=O)C(C)(C)C)[C@@H]1C ZINC000086040865 179222097 /nfs/dbraw/zinc/22/20/97/179222097.db2.gz RYYUNRBNAWHWDT-UTUOFQBUSA-N 1 0 261.431 2.366 10 0 CEAERO Cc1ccc(C)c(S(=O)(=O)[C@@H]2CC[C@@H]([NH3+])[C@@H]2C)c1 ZINC000086040575 179222283 /nfs/dbraw/zinc/22/22/83/179222283.db2.gz ZTRCVEDXOCGZCB-YNEHKIRRSA-N 1 0 267.394 2.203 10 0 CEAERO Cc1nccc(CN2CC[NH2+][C@@](C)(c3ccccc3)C2)n1 ZINC000086146276 179238521 /nfs/dbraw/zinc/23/85/21/179238521.db2.gz AKIFWRBMVQPKTL-QGZVFWFLSA-N 1 0 282.391 2.106 10 0 CEAERO CCC[C@@H]1CN(CCc2ccc3c(c2)OCCO3)CC[NH2+]1 ZINC000086123533 179235282 /nfs/dbraw/zinc/23/52/82/179235282.db2.gz BESYNPRFVQHEJH-OAHLLOKOSA-N 1 0 290.407 2.074 10 0 CEAERO CCn1cc(N2CC[NH2+][C@](C)(c3ccccc3)C2)cn1 ZINC000086127910 179235676 /nfs/dbraw/zinc/23/56/76/179235676.db2.gz GLYGIKHTWKCUNX-INIZCTEOSA-N 1 0 270.380 2.228 10 0 CEAERO CC(C)[C@H]1CSC(NCCc2cscn2)=[NH+]1 ZINC000086127317 179235902 /nfs/dbraw/zinc/23/59/02/179235902.db2.gz OJMCRSCPUDTHFI-SNVBAGLBSA-N 1 0 255.412 2.403 10 0 CEAERO Cc1cccc(OCCN2CC[NH2+][C@H](C3CC3)C2)c1 ZINC000086145330 179237434 /nfs/dbraw/zinc/23/74/34/179237434.db2.gz AFZAHYZUNBMJIH-INIZCTEOSA-N 1 0 260.381 2.058 10 0 CEAERO Cc1csc(CN2CC[NH2+]C3(CCCC3)C2)n1 ZINC000086144280 179237479 /nfs/dbraw/zinc/23/74/79/179237479.db2.gz MOFVDJKMKWTVFF-UHFFFAOYSA-N 1 0 251.399 2.170 10 0 CEAERO CC[C@@H](C)[C@H]1CN(Cc2csc(C)n2)CC[NH2+]1 ZINC000086144228 179237564 /nfs/dbraw/zinc/23/75/64/179237564.db2.gz CNLRGXKLASLLKX-ZWNOBZJWSA-N 1 0 253.415 2.271 10 0 CEAERO Cn1cc([C@H]2CC[N@H+](Cc3c[nH]nc3C(C)(C)C)C2)cn1 ZINC000128494971 187374664 /nfs/dbraw/zinc/37/46/64/187374664.db2.gz GWAAOISDRMWDIX-LBPRGKRZSA-N 1 0 287.411 2.430 10 0 CEAERO c1csc(CCN2CC[NH2+]C3(CCCCC3)C2)n1 ZINC000086148897 179239903 /nfs/dbraw/zinc/23/99/03/179239903.db2.gz FCYSYFRWKJKLLH-UHFFFAOYSA-N 1 0 265.426 2.294 10 0 CEAERO Cc1csc(CCN2CC[NH2+][C@H](C(C)(C)C)C2)n1 ZINC000086148859 179240058 /nfs/dbraw/zinc/24/00/58/179240058.db2.gz VSVKFPVQMNNNNU-LBPRGKRZSA-N 1 0 267.442 2.314 10 0 CEAERO CSCC[N@@H+]1CCN[C@](C)(c2ccccc2)C1 ZINC000086149790 179240490 /nfs/dbraw/zinc/24/04/90/179240490.db2.gz HSFQAKZFUYCGCY-AWEZNQCLSA-N 1 0 250.411 2.170 10 0 CEAERO CCC[C@H](COC)[N@@H+]1CCNC2(CCCCC2)C1 ZINC000086150372 179240786 /nfs/dbraw/zinc/24/07/86/179240786.db2.gz UHCFNNHDZVYRCT-CQSZACIVSA-N 1 0 254.418 2.410 10 0 CEAERO Cc1nccc(CN2C[C@@H](C(C)C)[NH2+]C[C@@H]2C(C)C)n1 ZINC000086174034 179245345 /nfs/dbraw/zinc/24/53/45/179245345.db2.gz CHUWPIQCMBHXGH-JKSUJKDBSA-N 1 0 276.428 2.239 10 0 CEAERO C[C@H]1C[NH2+][C@@H](Cc2ccccc2)CN1[C@@H]1CCCOC1 ZINC000086175689 179245498 /nfs/dbraw/zinc/24/54/98/179245498.db2.gz QTCCXTXLSBWDBK-BHYGNILZSA-N 1 0 274.408 2.070 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C)CN1C[C@@H]1Cc2ccccc2O1 ZINC000086174464 179246001 /nfs/dbraw/zinc/24/60/01/179246001.db2.gz CRWPWINPKGYWOC-SNPRPXQTSA-N 1 0 260.381 2.062 10 0 CEAERO c1csc(CCN2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000086148917 179239631 /nfs/dbraw/zinc/23/96/31/179239631.db2.gz CPDNCWGYBLWIHJ-CQSZACIVSA-N 1 0 273.405 2.332 10 0 CEAERO CC(C)C[C@H]1CN(CCc2ccccn2)[C@@H](C)C[NH2+]1 ZINC000086221473 179250758 /nfs/dbraw/zinc/25/07/58/179250758.db2.gz JTGLQAOCIUDNCU-HOCLYGCPSA-N 1 0 261.413 2.333 10 0 CEAERO CC[C@@H]1CN(CCc2cccnc2)[C@H](C(C)C)C[NH2+]1 ZINC000086223248 179251931 /nfs/dbraw/zinc/25/19/31/179251931.db2.gz UKIMEZMFZZZYTJ-CVEARBPZSA-N 1 0 261.413 2.333 10 0 CEAERO CC[C@H]1C[NH2+][C@@](C)(CC)CN1CCc1ccncc1 ZINC000086223333 179252442 /nfs/dbraw/zinc/25/24/42/179252442.db2.gz HZCRIKLODGWIHW-HOTGVXAUSA-N 1 0 261.413 2.477 10 0 CEAERO CC[C@@]1(C)CN(c2cnn(CCOC)c2)[C@H](C(C)C)C[NH2+]1 ZINC000086227211 179253369 /nfs/dbraw/zinc/25/33/69/179253369.db2.gz QLZPNXQSLWUTQR-HOTGVXAUSA-N 1 0 294.443 2.132 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1Cc1ccnc(C)n1 ZINC000086260200 179258991 /nfs/dbraw/zinc/25/89/91/179258991.db2.gz HVCDAOVDZMMBGB-LSDHHAIUSA-N 1 0 276.428 2.384 10 0 CEAERO CC[C@H]1CN[C@@](C)(CC)C[N@@H+]1C[C@@H]1CCCOC1 ZINC000086260120 179259082 /nfs/dbraw/zinc/25/90/82/179259082.db2.gz CRODZUOMMZYCDQ-KKUMJFAQSA-N 1 0 254.418 2.266 10 0 CEAERO CCC[C@H]1CN(Cc2ccnc(C)n2)[C@H](C(C)C)C[NH2+]1 ZINC000086260256 179259344 /nfs/dbraw/zinc/25/93/44/179259344.db2.gz LEEMSAOYOBGTIE-HOCLYGCPSA-N 1 0 276.428 2.384 10 0 CEAERO Cc1cc(CN2C[C@@H](C3CC3)[NH2+]C[C@@H]2C(C)C)no1 ZINC000086259800 179259471 /nfs/dbraw/zinc/25/94/71/179259471.db2.gz WRQWDKXHYTZHEX-LSDHHAIUSA-N 1 0 263.385 2.191 10 0 CEAERO CC[C@H]1C[NH2+]C2(CCCC2)CN1Cc1cc(C)on1 ZINC000086259828 179259562 /nfs/dbraw/zinc/25/95/62/179259562.db2.gz HSCFBRQUBHYEJP-AWEZNQCLSA-N 1 0 263.385 2.480 10 0 CEAERO CC[C@@H]1C[NH2+][C@](C)(CC)CN1Cc1ccc(OC)nc1 ZINC000086263919 179260835 /nfs/dbraw/zinc/26/08/35/179260835.db2.gz QABPPKNSOORVTO-GDBMZVCRSA-N 1 0 277.412 2.443 10 0 CEAERO Cn1ccnc1CN1CC(C)(C)[NH2+]C[C@@H]1c1ccccc1 ZINC000086264790 179260942 /nfs/dbraw/zinc/26/09/42/179260942.db2.gz BESGHSLKGQQQBZ-OAHLLOKOSA-N 1 0 284.407 2.345 10 0 CEAERO COc1ccc(CN2CC(C)(C)[NH2+]C[C@@H]2C(C)C)cn1 ZINC000086263910 179260972 /nfs/dbraw/zinc/26/09/72/179260972.db2.gz QFVIYTWRBRHTEI-CQSZACIVSA-N 1 0 277.412 2.299 10 0 CEAERO CC[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1ccc(OC)nc1 ZINC000086263885 179261308 /nfs/dbraw/zinc/26/13/08/179261308.db2.gz UWAKTOMUXPXVKT-NVXWUHKLSA-N 1 0 289.423 2.443 10 0 CEAERO COCC[C@H](C)[N@@H+]1C[C@H](c2ccccc2)NC[C@@H]1C ZINC000086268060 179261673 /nfs/dbraw/zinc/26/16/73/179261673.db2.gz KJBQYXCABFKVNB-OFQRWUPVSA-N 1 0 262.397 2.446 10 0 CEAERO CC[C@@H](COC)[N@@H+]1C[C@H](c2ccccc2)NC[C@@H]1C ZINC000086267435 179262187 /nfs/dbraw/zinc/26/21/87/179262187.db2.gz PSCNTBYPORRJRJ-CWRNSKLLSA-N 1 0 262.397 2.446 10 0 CEAERO C[C@@H]1CN(c2nc(Br)cs2)C[C@H](C)[NH2+]1 ZINC000086278401 179262965 /nfs/dbraw/zinc/26/29/65/179262965.db2.gz FUPPPKNCKXZBDL-KNVOCYPGSA-N 1 0 276.203 2.092 10 0 CEAERO Fc1cccc(CCN2CCC[NH2+][C@@H](C3CC3)C2)c1 ZINC000086287258 179264493 /nfs/dbraw/zinc/26/44/93/179264493.db2.gz CGYINNMCVVANPV-MRXNPFEDSA-N 1 0 262.372 2.442 10 0 CEAERO CC(C)C[C@@H]1CN(CCc2cccnc2)CCC[NH2+]1 ZINC000086288727 179264966 /nfs/dbraw/zinc/26/49/66/179264966.db2.gz YPBXSMNSHGPYTB-MRXNPFEDSA-N 1 0 261.413 2.334 10 0 CEAERO C[C@@H]([NH3+])[C@@H]1CCCN(c2nc(Br)cs2)C1 ZINC000086290913 179265298 /nfs/dbraw/zinc/26/52/98/179265298.db2.gz BHMACTZTMJWPSA-HTQZYQBOSA-N 1 0 290.230 2.469 10 0 CEAERO Cc1cccc(OCCN2CC(C)(C)[NH2+]C[C@@H]2C)c1 ZINC000086257978 179256977 /nfs/dbraw/zinc/25/69/77/179256977.db2.gz WPOCEMUHWZINEV-AWEZNQCLSA-N 1 0 262.397 2.446 10 0 CEAERO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2CO)c(F)c1 ZINC000231311353 539567093 /nfs/dbraw/zinc/56/70/93/539567093.db2.gz PXROSVRJQSJLIV-WFASDCNBSA-N 1 0 267.344 2.475 10 0 CEAERO Cc1ncsc1CN1CCC[NH2+][C@H](C(C)C)C1 ZINC000086297161 179268384 /nfs/dbraw/zinc/26/83/84/179268384.db2.gz SAOUOEXZLUHGGX-LBPRGKRZSA-N 1 0 253.415 2.271 10 0 CEAERO CSCC[N@@H+]1CCCN[C@H](c2ccccc2)C1 ZINC000086298466 179268999 /nfs/dbraw/zinc/26/89/99/179268999.db2.gz DIYCMSTXTOUPQT-AWEZNQCLSA-N 1 0 250.411 2.386 10 0 CEAERO Cc1nn([C@H](C)[C@@H](C)C[NH3+])c(C)c1Br ZINC000086312853 179269255 /nfs/dbraw/zinc/26/92/55/179269255.db2.gz CDHHYAWMRDZYII-POYBYMJQSA-N 1 0 260.179 2.418 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](Oc2ccc(Br)cn2)C1 ZINC000086408110 179285903 /nfs/dbraw/zinc/28/59/03/179285903.db2.gz KXZSBZUNABXUTK-RKDXNWHRSA-N 1 0 257.131 2.103 10 0 CEAERO O[C@@H]1CCCc2sc(N3CC[NH+](CC4CC4)CC3)nc21 ZINC000086444722 179294612 /nfs/dbraw/zinc/29/46/12/179294612.db2.gz CIYANYNKGFSEMI-GFCCVEGCSA-N 1 0 293.436 2.045 10 0 CEAERO CC[C@@H]1CN(C(=O)c2cc(C)ccc2O)[C@@H](CC)C[NH2+]1 ZINC000086446328 179294689 /nfs/dbraw/zinc/29/46/89/179294689.db2.gz REXIUUBYSZLCQL-OLZOCXBDSA-N 1 0 276.380 2.303 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)c1ccsc1 ZINC000086446029 179294769 /nfs/dbraw/zinc/29/47/69/179294769.db2.gz PQKFTEPANLZBFS-NWDGAFQWSA-N 1 0 252.383 2.351 10 0 CEAERO CC[C@H]1CN(Cc2ccc(C(=O)OC)cc2)[C@@H](CC)C[NH2+]1 ZINC000086445575 179295182 /nfs/dbraw/zinc/29/51/82/179295182.db2.gz DHKIKTAIFDGFHV-HOTGVXAUSA-N 1 0 290.407 2.436 10 0 CEAERO CC[C@H]1CN(C(=O)Cc2ccccc2F)[C@@H](CC)C[NH2+]1 ZINC000086447319 179295928 /nfs/dbraw/zinc/29/59/28/179295928.db2.gz ZZASFTGTWDLAEK-KBPBESRZSA-N 1 0 278.371 2.357 10 0 CEAERO CCC([NH3+])(CC)CNc1ccccc1S(C)(=O)=O ZINC000130060842 365920928 /nfs/dbraw/zinc/92/09/28/365920928.db2.gz MQNRVJVVBCCWSU-UHFFFAOYSA-N 1 0 270.398 2.020 10 0 CEAERO Cc1cccc(-c2nc(CN3C[C@@H](C)[NH2+]C[C@@H]3C)no2)c1 ZINC000086470556 179300577 /nfs/dbraw/zinc/30/05/77/179300577.db2.gz REYHPCZBGZDWEP-OLZOCXBDSA-N 1 0 286.379 2.227 10 0 CEAERO CSCC[C@@H]1C[NH+]=C(N)N1Cc1cccs1 ZINC000086474720 179300733 /nfs/dbraw/zinc/30/07/33/179300733.db2.gz FHWWBRVOKDNRNM-SECBINFHSA-N 1 0 255.412 2.000 10 0 CEAERO CC(C)[N@H+](C)CCNc1ncc(N)cc1Br ZINC000086481295 179300974 /nfs/dbraw/zinc/30/09/74/179300974.db2.gz NAIVWWRQTBGCFM-UHFFFAOYSA-N 1 0 287.205 2.178 10 0 CEAERO CCn1cc(C[C@H]([NH2+]C)[C@@H]2Cc3ccccc32)cn1 ZINC000086488992 179302469 /nfs/dbraw/zinc/30/24/69/179302469.db2.gz DPJJXISBIYWNCX-CVEARBPZSA-N 1 0 255.365 2.373 10 0 CEAERO CC[C@H]([NH3+])Cc1cnc([C@H]2Cc3ccccc32)nc1 ZINC000086490821 179302526 /nfs/dbraw/zinc/30/25/26/179302526.db2.gz HHTGGBMJDRMSSP-ZFWWWQNUSA-N 1 0 253.349 2.444 10 0 CEAERO C[NH2+][C@H](Cc1nc([C@H]2Cc3ccccc32)no1)C1CC1 ZINC000086492241 179302625 /nfs/dbraw/zinc/30/26/25/179302625.db2.gz JQYQSDRVXZMDNJ-UONOGXRCSA-N 1 0 269.348 2.298 10 0 CEAERO COc1cc(Cl)ccc1C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000086467835 179297718 /nfs/dbraw/zinc/29/77/18/179297718.db2.gz CUNOGNKCFYXCQY-ZJUUUORDSA-N 1 0 282.771 2.171 10 0 CEAERO [NH3+][C@@]1(c2cscc2Br)CCCOC1 ZINC000086554051 179307274 /nfs/dbraw/zinc/30/72/74/179307274.db2.gz SBIDOBPYWNDUJS-VIFPVBQESA-N 1 0 262.172 2.475 10 0 CEAERO [NH3+]C1(c2ccc3c(c2)OCO3)CC2(C1)CCOCC2 ZINC000086539879 179307337 /nfs/dbraw/zinc/30/73/37/179307337.db2.gz UEYOZJICRBILTP-UHFFFAOYSA-N 1 0 261.321 2.160 10 0 CEAERO COc1ccc(C[C@@H]([NH3+])[C@@H](C)OC)cc1Br ZINC000086576507 179308376 /nfs/dbraw/zinc/30/83/76/179308376.db2.gz XUXFCCNIDJNHPC-LDYMZIIASA-N 1 0 288.185 2.362 10 0 CEAERO CO[C@H](C)[C@H]([NH3+])Cc1sccc1Br ZINC000086575830 179308602 /nfs/dbraw/zinc/30/86/02/179308602.db2.gz UOOOTHRVOSBPDK-HTRCEHHLSA-N 1 0 264.188 2.415 10 0 CEAERO CO[C@@H](C)[C@H]([NH3+])Cc1ccc(Br)cc1 ZINC000086576437 179308671 /nfs/dbraw/zinc/30/86/71/179308671.db2.gz LFNXLTGVPPMNKO-GZMMTYOYSA-N 1 0 258.159 2.354 10 0 CEAERO CCCNC(=O)[C@H](C)[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC000086584503 179308958 /nfs/dbraw/zinc/30/89/58/179308958.db2.gz YEAXJKCOLOLFTI-JTQLQIEISA-N 1 0 284.787 2.353 10 0 CEAERO Cc1cnc([C@H](C)NC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)o1 ZINC000231743960 539581151 /nfs/dbraw/zinc/58/11/51/539581151.db2.gz KYTVROLBKSRITJ-KGYLQXTDSA-N 1 0 279.384 2.186 10 0 CEAERO CC(C)n1ccnc1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334292156 539588749 /nfs/dbraw/zinc/58/87/49/539588749.db2.gz NCFDEWSDJAUUFW-OAHLLOKOSA-N 1 0 262.401 2.040 10 0 CEAERO Cc1nc(Sc2ncccc2C(N)=[NH2+])nc(C)c1C ZINC000086643807 179315611 /nfs/dbraw/zinc/31/56/11/179315611.db2.gz KNCSHIQOMFNXGH-UHFFFAOYSA-N 1 0 273.365 2.232 10 0 CEAERO CCC(CC)(CC)[NH2+][C@@H]1CC(=O)N(C(C)C)C1=O ZINC000086642492 179315618 /nfs/dbraw/zinc/31/56/18/179315618.db2.gz ZYQJJYUSFRVOBS-LLVKDONJSA-N 1 0 254.374 2.081 10 0 CEAERO CN(CC(C)(C)C[NH3+])c1ncccc1Br ZINC000086638640 179314867 /nfs/dbraw/zinc/31/48/67/179314867.db2.gz MBRLEDDUOHKXJQ-UHFFFAOYSA-N 1 0 272.190 2.265 10 0 CEAERO [NH3+][C@@]1(CO)CC[C@H](Sc2ccc(Cl)cn2)C1 ZINC000086637085 179315099 /nfs/dbraw/zinc/31/50/99/179315099.db2.gz RDEAYEPIQMKLQU-ONGXEEELSA-N 1 0 258.774 2.069 10 0 CEAERO C[C@@H]1C[NH+]=C(NCc2ccc3c(c2)OCO3)SC1 ZINC000086633443 179315185 /nfs/dbraw/zinc/31/51/85/179315185.db2.gz FWPGQEGDVGTKCG-SECBINFHSA-N 1 0 264.350 2.244 10 0 CEAERO COC(OC)[C@@H]([NH3+])Cc1cc(F)cc(Br)c1 ZINC000086696437 179320796 /nfs/dbraw/zinc/32/07/96/179320796.db2.gz GEDPFFXFQVFKHO-JTQLQIEISA-N 1 0 292.148 2.077 10 0 CEAERO COCC[NH2+]C[C@H](C)Sc1nc(C)c(C)c(C)n1 ZINC000086645408 179316644 /nfs/dbraw/zinc/31/66/44/179316644.db2.gz JFAXLTPFOBBUOS-VIFPVBQESA-N 1 0 269.414 2.118 10 0 CEAERO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2S(C)(=O)=O)[C@@H]1C ZINC000086670702 179317071 /nfs/dbraw/zinc/31/70/71/179317071.db2.gz GIWKFGSXADEFDF-RGDJUOJXSA-N 1 0 273.442 2.366 10 0 CEAERO CS(=O)(=O)[C@@H]1CCC[C@H]1[NH2+]CCCc1ccccc1 ZINC000086671057 179318054 /nfs/dbraw/zinc/31/80/54/179318054.db2.gz ZHHZOEDFBNLKQG-HUUCEWRRSA-N 1 0 281.421 2.175 10 0 CEAERO C[NH+](C)Cc1ccc(N[C@@H]2CCC[C@H]2S(C)(=O)=O)cc1 ZINC000086674569 179318857 /nfs/dbraw/zinc/31/88/57/179318857.db2.gz GDTHOQZPYLYLEH-HUUCEWRRSA-N 1 0 296.436 2.126 10 0 CEAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2S(C)(=O)=O)C[C@@H]1C ZINC000086676230 179318990 /nfs/dbraw/zinc/31/89/90/179318990.db2.gz WYIVMCLIQNCFIB-HTOAHKCRSA-N 1 0 273.442 2.366 10 0 CEAERO NN=c1[nH]cc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)s1 ZINC000086767401 179325819 /nfs/dbraw/zinc/32/58/19/179325819.db2.gz XMPJUJHGVPWPOG-WDEREUQCSA-N 1 0 266.414 2.441 10 0 CEAERO CCCNC(=O)[C@@H](C)OC1(C[NH3+])CCC(C(C)C)CC1 ZINC000086713475 179322622 /nfs/dbraw/zinc/32/26/22/179322622.db2.gz XJGHRBIRDADXDK-VQCLRJIVSA-N 1 0 284.444 2.461 10 0 CEAERO CCCC1CCC(C[NH3+])(O[C@@H](C)C(=O)OC)CC1 ZINC000086713421 179322993 /nfs/dbraw/zinc/32/29/93/179322993.db2.gz VCIRVFUJEKPBLT-DCBWTQNWSA-N 1 0 257.374 2.252 10 0 CEAERO C[N@@H+]1CCC[C@](Nc2ccc(Cl)cc2)(C(N)=O)CC1 ZINC000086819761 179347856 /nfs/dbraw/zinc/34/78/56/179347856.db2.gz MOKCCBBSTURNNK-CQSZACIVSA-N 1 0 281.787 2.092 10 0 CEAERO CCOc1ccc(N[C@H]2CCC[N@H+](C)CC2)cc1CO ZINC000086818804 179346336 /nfs/dbraw/zinc/34/63/36/179346336.db2.gz DSYHXUANNWCHGP-AWEZNQCLSA-N 1 0 278.396 2.474 10 0 CEAERO C[N@@H+]1CCC[C@H](Nc2ccc3oc(=O)[nH]c3c2)CC1 ZINC000086818437 179346598 /nfs/dbraw/zinc/34/65/98/179346598.db2.gz YOCNYDQIRGLBRO-JTQLQIEISA-N 1 0 261.325 2.017 10 0 CEAERO C[N@@H+]1CCC[C@@H](Nc2ccc(-n3cncn3)cc2)CC1 ZINC000086818644 179347076 /nfs/dbraw/zinc/34/70/76/179347076.db2.gz GLEMDTBVKDRIBZ-CYBMUJFWSA-N 1 0 271.368 2.164 10 0 CEAERO COc1ccc([C@]2(O)CCC[N@H+](C)CC2)c(OC)c1 ZINC000086834123 179350365 /nfs/dbraw/zinc/35/03/65/179350365.db2.gz ISCIDNYMPDAAHI-HNNXBMFYSA-N 1 0 265.353 2.007 10 0 CEAERO CC[N@@H+]1CCC[C@H](Nc2ccc(N(C)C)nc2)CC1 ZINC000086838371 179352060 /nfs/dbraw/zinc/35/20/60/179352060.db2.gz YKGYGMZCZLBKOD-ZDUSSCGKSA-N 1 0 262.401 2.434 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2ccc(NC(N)=O)cc2)CC1 ZINC000086840184 179352069 /nfs/dbraw/zinc/35/20/69/179352069.db2.gz QXUSIRAHMZYSLF-GFCCVEGCSA-N 1 0 276.384 2.464 10 0 CEAERO CCC[N@@H+]1CCC[C@H](N[C@@H](C)c2nnc3n2CCC3)CC1 ZINC000086840404 179353142 /nfs/dbraw/zinc/35/31/42/179353142.db2.gz XLYTZSAKQHCDFO-KBPBESRZSA-N 1 0 291.443 2.139 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NCc2cccc3c2OCO3)CC1 ZINC000086842415 179354015 /nfs/dbraw/zinc/35/40/15/179354015.db2.gz SQPBPDUDAHFNLG-CQSZACIVSA-N 1 0 276.380 2.379 10 0 CEAERO CCC[N@@H+]1CCC[C@](O)(c2cncc(F)c2)CC1 ZINC000086852507 179359945 /nfs/dbraw/zinc/35/99/45/179359945.db2.gz REZLMAPOZQFHOS-CQSZACIVSA-N 1 0 252.333 2.304 10 0 CEAERO CC[N@@H+]1CCC[C@](CO)(Nc2ccccc2F)CC1 ZINC000086868177 179360425 /nfs/dbraw/zinc/36/04/25/179360425.db2.gz JPCJXLLXZJVMOX-HNNXBMFYSA-N 1 0 266.360 2.475 10 0 CEAERO CCC[N@@H+]1CCC[C@H]([NH+](CC)CCC(=O)[O-])CC1 ZINC000086868856 179362236 /nfs/dbraw/zinc/36/22/36/179362236.db2.gz GSVZRTUOZJFLBD-ZDUSSCGKSA-N 1 0 256.390 2.048 10 0 CEAERO CCC[N@@H+]1CCC[C@@H]([NH+](CC)C(C)(C)C(=O)[O-])CC1 ZINC000086868922 179362274 /nfs/dbraw/zinc/36/22/74/179362274.db2.gz VMZIKILJIZFPMW-CYBMUJFWSA-N 1 0 270.417 2.436 10 0 CEAERO CC[N@@H+]1CCC[C@@H]([NH+]2CCC[C@@](CC)(C(=O)[O-])C2)CC1 ZINC000086869145 179362377 /nfs/dbraw/zinc/36/23/77/179362377.db2.gz NZUQCVBWPCTKAJ-GDBMZVCRSA-N 1 0 282.428 2.438 10 0 CEAERO CCC[C@](C)([NH2+][C@H]1CCC[N@@H+](C(C)C)CC1)C(=O)[O-] ZINC000086868657 179362465 /nfs/dbraw/zinc/36/24/65/179362465.db2.gz HVNZCNGIEKGVJX-ZFWWWQNUSA-N 1 0 270.417 2.482 10 0 CEAERO CC(C)[N@@H+]1CCC[C@]([NH2+]Cc2ccccc2)(C(=O)[O-])CC1 ZINC000086849875 179358505 /nfs/dbraw/zinc/35/85/05/179358505.db2.gz XMFYSHDFUKCNNO-QGZVFWFLSA-N 1 0 290.407 2.494 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH3+])c1cccc(F)c1 ZINC000086978490 179372443 /nfs/dbraw/zinc/37/24/43/179372443.db2.gz VYQWRMYRQHSUEF-GFCCVEGCSA-N 1 0 259.346 2.040 10 0 CEAERO CC[NH2+][C@@H](CCCS(=O)(=O)CC)Cc1ccccc1 ZINC000086978709 179372574 /nfs/dbraw/zinc/37/25/74/179372574.db2.gz MWLVIKSCMUAVRY-HNNXBMFYSA-N 1 0 283.437 2.422 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH2+]C)C1CCCCC1 ZINC000086978923 179372749 /nfs/dbraw/zinc/37/27/49/179372749.db2.gz UUXCXHHWHPGDSL-CYBMUJFWSA-N 1 0 261.431 2.370 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH2+]C)c1cc(F)ccc1F ZINC000086979687 179372898 /nfs/dbraw/zinc/37/28/98/179372898.db2.gz ROGQANVOZSRYCC-ZDUSSCGKSA-N 1 0 291.363 2.440 10 0 CEAERO CCOC(=O)C[C@@]1([NH+](CC)CC)CCCOCC1 ZINC000086877727 179365318 /nfs/dbraw/zinc/36/53/18/179365318.db2.gz ANUXGHCJAJIWBY-CQSZACIVSA-N 1 0 257.374 2.221 10 0 CEAERO C[NH2+][C@@]1(c2nc3c(s2)CCC3)CCCOCC1 ZINC000086876946 179365477 /nfs/dbraw/zinc/36/54/77/179365477.db2.gz XRKYIBKLAUFSCH-ZDUSSCGKSA-N 1 0 252.383 2.247 10 0 CEAERO CC[C@@H]1CCC[C@](CO)([NH2+]C[C@@H]2CCCO2)CC1 ZINC000086920863 179368106 /nfs/dbraw/zinc/36/81/06/179368106.db2.gz AWFASPMIYJYQHR-ILXRZTDVSA-N 1 0 255.402 2.476 10 0 CEAERO COC(=O)[C@@]1(NCC[NH+](C)C)CCC[C@H](C(C)C)CC1 ZINC000086949896 179368368 /nfs/dbraw/zinc/36/83/68/179368368.db2.gz WXDMLHAHNZGGRH-GOEBONIOSA-N 1 0 284.444 2.286 10 0 CEAERO CC[C@@H](C)n1ccc(C[C@H](CCCOC)[NH2+]C)n1 ZINC000086969862 179370508 /nfs/dbraw/zinc/37/05/08/179370508.db2.gz LYJDEEAJPIJZLU-OLZOCXBDSA-N 1 0 253.390 2.411 10 0 CEAERO CCC[NH2+][C@@H](C)[C@H](C)c1nc(CCCOC)no1 ZINC000086971903 179370727 /nfs/dbraw/zinc/37/07/27/179370727.db2.gz MREGESAWAODQJD-QWRGUYRKSA-N 1 0 255.362 2.140 10 0 CEAERO CCC[NH2+][C@H](CCCOC)c1c(C)ccnc1N ZINC000086970645 179370825 /nfs/dbraw/zinc/37/08/25/179370825.db2.gz JWUQLQYFXDVRLT-GFCCVEGCSA-N 1 0 251.374 2.440 10 0 CEAERO CCC[NH2+][C@@H](CCCOC)Cc1cccnc1N ZINC000086970588 179370844 /nfs/dbraw/zinc/37/08/44/179370844.db2.gz NVMZYPAAVGJWRN-ZDUSSCGKSA-N 1 0 251.374 2.001 10 0 CEAERO CCS(=O)(=O)CCC[C@@]1([NH3+])CCc2ccccc2C1 ZINC000086977396 179371949 /nfs/dbraw/zinc/37/19/49/179371949.db2.gz FIQGTOXMOQGKPM-OAHLLOKOSA-N 1 0 281.421 2.088 10 0 CEAERO CCC(O)(CC)C[NH2+][C@@H](C)c1ccc(NC(N)=O)cc1 ZINC000087015394 179379655 /nfs/dbraw/zinc/37/96/55/179379655.db2.gz SZFVVTLGKWQJCV-NSHDSACASA-N 1 0 279.384 2.379 10 0 CEAERO COc1nc2sccn2c1C[NH2+]CC1(O)CCCCC1 ZINC000087017655 179380920 /nfs/dbraw/zinc/38/09/20/179380920.db2.gz KKYAUKWKTROLBL-UHFFFAOYSA-N 1 0 295.408 2.189 10 0 CEAERO CCCn1cc([C@@H]([NH3+])[C@@H]2CSCCS2)cn1 ZINC000086984264 179374225 /nfs/dbraw/zinc/37/42/25/179374225.db2.gz IPEPAJLBOKNQQJ-WDEREUQCSA-N 1 0 257.428 2.142 10 0 CEAERO [NH3+][C@H](Cc1ccccc1Cl)[C@@H]1CSCCO1 ZINC000086987593 179374730 /nfs/dbraw/zinc/37/47/30/179374730.db2.gz HBAMAFLLDFOZEY-NEPJUHHUSA-N 1 0 257.786 2.342 10 0 CEAERO CCN([C@H](C)COC)[C@@H](C[NH3+])c1ccc(OC)c(F)c1 ZINC000086991972 179375060 /nfs/dbraw/zinc/37/50/60/179375060.db2.gz AAYJWMOHFVCGEA-RISCZKNCSA-N 1 0 284.375 2.191 10 0 CEAERO COc1ccc([C@H]([NH2+]C2CCCCC2)C(N)=O)cc1F ZINC000086992746 179375275 /nfs/dbraw/zinc/37/52/75/179375275.db2.gz STRXUQOFJIGTAW-AWEZNQCLSA-N 1 0 280.343 2.283 10 0 CEAERO COc1ccc([C@@H]2[C@@H]([NH3+])CCC(=O)N2CC(C)C)cc1F ZINC000086995205 179376126 /nfs/dbraw/zinc/37/61/26/179376126.db2.gz LKDZZIIELZSZJO-XJKSGUPXSA-N 1 0 294.370 2.481 10 0 CEAERO O[C@H](C[NH2+]CC1(O)CCCCC1)c1cccs1 ZINC000087029079 179382469 /nfs/dbraw/zinc/38/24/69/179382469.db2.gz NWOKWTIGYNZFHN-LLVKDONJSA-N 1 0 255.383 2.066 10 0 CEAERO OC1(C[NH2+]CC2(O)CCCCCC2)CCCCC1 ZINC000087029293 179382549 /nfs/dbraw/zinc/38/25/49/179382549.db2.gz BCJVRORJEHEPAJ-UHFFFAOYSA-N 1 0 255.402 2.357 10 0 CEAERO CC[C@H]1C[NH2+]C[C@@H](c2c(OC)cc(OC)cc2OC)O1 ZINC000087090293 179394385 /nfs/dbraw/zinc/39/43/85/179394385.db2.gz NTEWABMSCCUHBF-HZMBPMFUSA-N 1 0 281.352 2.152 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1c1nc(CSC(C)(C)C)no1 ZINC000087116016 179395160 /nfs/dbraw/zinc/39/51/60/179395160.db2.gz MQVUCKMOVRKJAS-IUCAKERBSA-N 1 0 255.387 2.424 10 0 CEAERO CCOC(=O)[C@@H](C)C[NH2+]CC1(O)CCC(C)(C)CC1 ZINC000087063679 179390481 /nfs/dbraw/zinc/39/04/81/179390481.db2.gz FFLJQUSCTOVCQR-LBPRGKRZSA-N 1 0 271.401 2.107 10 0 CEAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+]CC1(O)CCCCCC1 ZINC000087089317 179393554 /nfs/dbraw/zinc/39/35/54/179393554.db2.gz QKHSBZSENRLBGF-CYBMUJFWSA-N 1 0 284.444 2.355 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)OCc1cccc(Cl)c1 ZINC000087090531 179394063 /nfs/dbraw/zinc/39/40/63/179394063.db2.gz PRLAMEZROCQSEH-SKDRFNHKSA-N 1 0 253.729 2.239 10 0 CEAERO COC[C@@H](C)[NH2+]CCOCc1cccc(Cl)c1 ZINC000087096438 179394170 /nfs/dbraw/zinc/39/41/70/179394170.db2.gz YQWCGHBIHFUAPT-LLVKDONJSA-N 1 0 257.761 2.481 10 0 CEAERO C[NH2+][C@@H](CCCS(C)(=O)=O)CSC1CCCC1 ZINC000087144795 179397517 /nfs/dbraw/zinc/39/75/17/179397517.db2.gz QNWMSPOHAIXKML-NSHDSACASA-N 1 0 279.471 2.075 10 0 CEAERO C[NH2+][C@H](CSC1CCCC1)Cc1cccnc1N ZINC000087144460 179397542 /nfs/dbraw/zinc/39/75/42/179397542.db2.gz JWSSEHTUFVDLGR-LBPRGKRZSA-N 1 0 265.426 2.470 10 0 CEAERO [NH3+][C@@H]1CC(=O)N(c2ccc(Cl)c(Br)c2)C1 ZINC000087153286 179397873 /nfs/dbraw/zinc/39/78/73/179397873.db2.gz BUJVYWTZGLNREK-ZCFIWIBFSA-N 1 0 289.560 2.167 10 0 CEAERO COc1cccc(CC2(O)CC[NH+](C(C)C)CC2)c1 ZINC000087165861 179398461 /nfs/dbraw/zinc/39/84/61/179398461.db2.gz JRYLRCZJRONHMP-UHFFFAOYSA-N 1 0 263.381 2.473 10 0 CEAERO CC[NH2+][C@H](C[C@H]1CCCO1)c1ccc2c(c1)CC(=O)N2C ZINC000087213883 179402356 /nfs/dbraw/zinc/40/23/56/179402356.db2.gz JKGUDWCTWKIGBJ-HUUCEWRRSA-N 1 0 288.391 2.425 10 0 CEAERO C[NH2+]Cc1cc(Br)ccc1O[C@H](C)[C@H](C)O ZINC000087125409 179396124 /nfs/dbraw/zinc/39/61/24/179396124.db2.gz AGPZQBBECGAYRB-DTWKUNHWSA-N 1 0 288.185 2.317 10 0 CEAERO COc1ccc(OC)c([C@@H](O)[C@H](C[NH3+])c2ccccc2)c1 ZINC000087349864 179415240 /nfs/dbraw/zinc/41/52/40/179415240.db2.gz LKZFHBCCNMPRRC-NVXWUHKLSA-N 1 0 287.359 2.480 10 0 CEAERO COc1ccc([C@@H](C[NH3+])[C@H](O)c2occc2C)cc1 ZINC000087354226 179415451 /nfs/dbraw/zinc/41/54/51/179415451.db2.gz AGUDTAJYZHGOQD-KGLIPLIRSA-N 1 0 261.321 2.373 10 0 CEAERO [NH3+]C[C@@H](c1ccc(F)cc1F)[C@H](O)c1ccco1 ZINC000087382635 179418107 /nfs/dbraw/zinc/41/81/07/179418107.db2.gz WYVZSQKRMMRCPU-GWCFXTLKSA-N 1 0 253.248 2.334 10 0 CEAERO CC[C@@H](Cn1ccnc1-c1ccoc1)[NH+]1CCOCC1 ZINC000067675469 362917824 /nfs/dbraw/zinc/91/78/24/362917824.db2.gz AIXQMCQSBVWIDB-AWEZNQCLSA-N 1 0 275.352 2.254 10 0 CEAERO C[N@H+](CCCF)C[C@H](c1cccs1)N1CCOCC1 ZINC000128887316 187397288 /nfs/dbraw/zinc/39/72/88/187397288.db2.gz HVMPFIXHRHGEMG-CYBMUJFWSA-N 1 0 286.416 2.413 10 0 CEAERO [NH3+]Cc1cc(Cl)ccc1OCC1(O)CCCC1 ZINC000087459335 179429025 /nfs/dbraw/zinc/42/90/25/179429025.db2.gz PERZHPCHZBZLII-UHFFFAOYSA-N 1 0 255.745 2.483 10 0 CEAERO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000248494466 539636250 /nfs/dbraw/zinc/63/62/50/539636250.db2.gz KKUQVVGZUZCUHH-UMVBOHGHSA-N 1 0 297.420 2.006 10 0 CEAERO CC[C@H](C[NH3+])c1nc(Cc2cccc(OC)c2)no1 ZINC000087499484 179435849 /nfs/dbraw/zinc/43/58/49/179435849.db2.gz MDBPWQDVYVKWRN-LLVKDONJSA-N 1 0 261.325 2.121 10 0 CEAERO CC[C@H](C[NH3+])c1nc(-c2cc(F)cc(F)c2)no1 ZINC000087500017 179436080 /nfs/dbraw/zinc/43/60/80/179436080.db2.gz SDGZGKYPWHYDPE-SSDOTTSWSA-N 1 0 253.252 2.467 10 0 CEAERO [NH3+][C@H]1CC[C@@](O)(Cc2cc(Br)ccc2F)C1 ZINC000087654128 179463304 /nfs/dbraw/zinc/46/33/04/179463304.db2.gz NNYYGPZRDNEEGC-CMPLNLGQSA-N 1 0 288.160 2.373 10 0 CEAERO CC(C)(CC[NH3+])CCc1nnc2n1CCCCC2 ZINC000087663363 179467191 /nfs/dbraw/zinc/46/71/91/179467191.db2.gz MIWGHHFVGJDOME-UHFFFAOYSA-N 1 0 250.390 2.312 10 0 CEAERO C[C@@H](NC(=O)CCC(C)(C)CC[NH3+])c1ccncc1 ZINC000087684564 179470229 /nfs/dbraw/zinc/47/02/29/179470229.db2.gz UTGIKWFQFUGODQ-GFCCVEGCSA-N 1 0 263.385 2.414 10 0 CEAERO C[C@H]([NH3+])CCC[C@H](C)C(=O)N(C)Cc1ccccn1 ZINC000087684810 179470579 /nfs/dbraw/zinc/47/05/79/179470579.db2.gz OZEQJRNTNKTFFX-STQMWFEESA-N 1 0 263.385 2.194 10 0 CEAERO COCCN(C(=O)[C@H](C)CCC[C@H](C)[NH3+])[C@@H](C)C1CC1 ZINC000087696401 179471763 /nfs/dbraw/zinc/47/17/63/179471763.db2.gz ONBMBMLMQRTPTI-RDBSUJKOSA-N 1 0 284.444 2.414 10 0 CEAERO CC(C)(CC[NH3+])CCC(=O)N1CCCSCC1 ZINC000087699831 179472815 /nfs/dbraw/zinc/47/28/15/179472815.db2.gz QSKDFSWBDHXSSF-UHFFFAOYSA-N 1 0 258.431 2.107 10 0 CEAERO CCC[C@@H](COC)NC(=O)CCC(C)(C)CC[NH3+] ZINC000087703643 179473193 /nfs/dbraw/zinc/47/31/93/179473193.db2.gz WQXLPPUXGGUCAJ-LBPRGKRZSA-N 1 0 258.406 2.073 10 0 CEAERO [NH3+]CCc1cccc(-c2nc([C@H]3CCCO3)no2)c1 ZINC000087800879 179487508 /nfs/dbraw/zinc/48/75/08/179487508.db2.gz TXXZBFBFXRJZKO-GFCCVEGCSA-N 1 0 259.309 2.089 10 0 CEAERO CCc1nsc(S[C@H](C[NH3+])C(F)(F)F)n1 ZINC000087513480 179437926 /nfs/dbraw/zinc/43/79/26/179437926.db2.gz FYJKARIVHROHEI-SCSAIBSYSA-N 1 0 257.306 2.082 10 0 CEAERO Cc1nsc(S[C@H](C[NH3+])c2cccnc2)n1 ZINC000087513563 179438032 /nfs/dbraw/zinc/43/80/32/179438032.db2.gz ONBKWZCRWDEZAK-SECBINFHSA-N 1 0 252.368 2.034 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)N[C@H](C)c1cc(C)ccc1OC ZINC000087518120 179439167 /nfs/dbraw/zinc/43/91/67/179439167.db2.gz WXLAGSFQTSHGAQ-NEPJUHHUSA-N 1 0 264.369 2.166 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)Nc1ccc(C(=O)OC)cc1C ZINC000087522188 179439633 /nfs/dbraw/zinc/43/96/33/179439633.db2.gz HJPHIYFRJULKBQ-LBPRGKRZSA-N 1 0 278.352 2.095 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000087525132 179440677 /nfs/dbraw/zinc/44/06/77/179440677.db2.gz UCGHYSJKMZKYIV-LBPRGKRZSA-N 1 0 285.391 2.428 10 0 CEAERO CC[C@H](C[NH3+])C(=O)N(C)[C@@H](C)c1cc(F)ccc1F ZINC000087525735 179440776 /nfs/dbraw/zinc/44/07/76/179440776.db2.gz FPLVTIWPYGMLFD-VHSXEESVSA-N 1 0 270.323 2.469 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)N(CC(C)C)CC(F)(F)F ZINC000087526257 179441412 /nfs/dbraw/zinc/44/14/12/179441412.db2.gz XMRNHWJNGHXFDC-VIFPVBQESA-N 1 0 254.296 2.018 10 0 CEAERO CCC[C@H](C[NH3+])c1nc(-c2c(C)nn(C)c2C)c[nH]1 ZINC000087536864 179442491 /nfs/dbraw/zinc/44/24/91/179442491.db2.gz DIXLEPZZNSKNMK-LLVKDONJSA-N 1 0 261.373 2.269 10 0 CEAERO C[NH2+]C1(CC(=O)N(C)CC(F)(F)F)CCCCC1 ZINC000087577105 179449377 /nfs/dbraw/zinc/44/93/77/179449377.db2.gz GNLBZSRSZOGCBX-UHFFFAOYSA-N 1 0 266.307 2.320 10 0 CEAERO Cc1cc(CNC(=O)[C@@H]2CC23CC[NH2+]CC3)sc1C ZINC000087578216 179449876 /nfs/dbraw/zinc/44/98/76/179449876.db2.gz UPKLFTMHTPFELZ-ZDUSSCGKSA-N 1 0 278.421 2.371 10 0 CEAERO CC(=O)Nc1cccc([C@@H]2C[N@@H+](C(C)(C)C)CCN2)c1 ZINC000616634559 348542249 /nfs/dbraw/zinc/54/22/49/348542249.db2.gz VGNCQPUTLKCQOQ-HNNXBMFYSA-N 1 0 275.396 2.390 10 0 CEAERO OCc1ccc([C@@H]2C[NH2+]CCN2Cc2ccccc2)cc1 ZINC000616636200 348542533 /nfs/dbraw/zinc/54/25/33/348542533.db2.gz RPULVHUCESFWJO-SFHVURJKSA-N 1 0 282.387 2.325 10 0 CEAERO OCC[N@@H+]1CCCC[C@@H](c2cnnc3ccccc32)C1 ZINC000616651881 348548494 /nfs/dbraw/zinc/54/84/94/348548494.db2.gz BHMMOGQLCPNMBE-CYBMUJFWSA-N 1 0 271.364 2.192 10 0 CEAERO OCC[N@@H+]1CCCC[C@@H](c2ccc3ccnnc3c2)C1 ZINC000616656287 348550074 /nfs/dbraw/zinc/55/00/74/348550074.db2.gz VHFYSVFNDMKGLT-OAHLLOKOSA-N 1 0 271.364 2.192 10 0 CEAERO CC[NH2+][C@@H](Cc1ccc(CC)cc1)[C@@H]1COCCO1 ZINC000087857986 179502192 /nfs/dbraw/zinc/50/21/92/179502192.db2.gz OGHXDQWPLUFLQG-HOTGVXAUSA-N 1 0 263.381 2.185 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@H]2[NH2+]CCCC[C@H]2C1 ZINC000616580676 348526372 /nfs/dbraw/zinc/52/63/72/348526372.db2.gz ZUHFZOCISXQVFK-NWDGAFQWSA-N 1 0 254.374 2.386 10 0 CEAERO CC[N@@H+]1CCO[C@@H](c2ccc3ccnnc3c2)CC1 ZINC000616594997 348528616 /nfs/dbraw/zinc/52/86/16/348528616.db2.gz SJVRGVKSVJNTKV-OAHLLOKOSA-N 1 0 257.337 2.413 10 0 CEAERO [NH3+]CCN1CCCO[C@@H](c2cccc(Cl)c2)C1 ZINC000616598638 348529916 /nfs/dbraw/zinc/52/99/16/348529916.db2.gz OLLOMMVHOJHJDL-CYBMUJFWSA-N 1 0 254.761 2.062 10 0 CEAERO [NH3+]CCN1CCCOC[C@@H]1c1cccc(Cl)c1 ZINC000616599871 348530085 /nfs/dbraw/zinc/53/00/85/348530085.db2.gz RSNDVJMJBQTODY-CYBMUJFWSA-N 1 0 254.761 2.062 10 0 CEAERO CSc1nc(N[C@@H]2C[C@H]3CC[C@@H]2C3)cc(NN)[nH+]1 ZINC000087881270 179509450 /nfs/dbraw/zinc/50/94/50/179509450.db2.gz GFCWWJCBLHCESG-DJLDLDEBSA-N 1 0 265.386 2.085 10 0 CEAERO CC[C@@H](Nc1nc[nH+]c(NN)c1C)c1nccs1 ZINC000087881368 179509502 /nfs/dbraw/zinc/50/95/02/179509502.db2.gz FXYQNGOKEBWMKI-MRVPVSSYSA-N 1 0 264.358 2.090 10 0 CEAERO CC(=O)Nc1ccccc1[C@H]1CCC[N@H+](CCO)CC1 ZINC000616601168 348530884 /nfs/dbraw/zinc/53/08/84/348530884.db2.gz PAGLKNCSBBEJQK-AWEZNQCLSA-N 1 0 276.380 2.207 10 0 CEAERO CC(=O)Nc1cccc([C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000616612145 348533996 /nfs/dbraw/zinc/53/39/96/348533996.db2.gz WYRMFICYCSMKPD-HNNXBMFYSA-N 1 0 262.353 2.164 10 0 CEAERO CCOCOc1ccc(OC)cc1C[C@@H]([NH3+])CC ZINC000087888877 179513221 /nfs/dbraw/zinc/51/32/21/179513221.db2.gz CFDMSUPXAONHAI-LBPRGKRZSA-N 1 0 253.342 2.348 10 0 CEAERO CCOCOc1c(C[NH2+]CCOC)cccc1OCC ZINC000087888691 179513226 /nfs/dbraw/zinc/51/32/26/179513226.db2.gz FGBXMCMVNSESMP-UHFFFAOYSA-N 1 0 283.368 2.194 10 0 CEAERO OCC[N@@H+]1CCC[C@H](c2cccc3ccncc32)C1 ZINC000616617701 348535842 /nfs/dbraw/zinc/53/58/42/348535842.db2.gz FGCAKEYCXFSBKW-AWEZNQCLSA-N 1 0 256.349 2.407 10 0 CEAERO CCOC(=O)c1ccccc1C1CCN(CC[NH3+])CC1 ZINC000616619878 348536367 /nfs/dbraw/zinc/53/63/67/348536367.db2.gz SEXIYSUEQMCIFF-UHFFFAOYSA-N 1 0 276.380 2.001 10 0 CEAERO [NH3+]CCN1CCC[C@H](c2ccc3cccnc3c2)C1 ZINC000616620789 348537092 /nfs/dbraw/zinc/53/70/92/348537092.db2.gz LMPJOVZVCSYSJD-HNNXBMFYSA-N 1 0 255.365 2.373 10 0 CEAERO [NH3+]CCN1CCC[C@@H](c2ccc3ccncc3c2)C1 ZINC000616620517 348537120 /nfs/dbraw/zinc/53/71/20/348537120.db2.gz LDOMBLSEUIDALB-OAHLLOKOSA-N 1 0 255.365 2.373 10 0 CEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H](c2cn[nH]c2)C1 ZINC000616621049 348537282 /nfs/dbraw/zinc/53/72/82/348537282.db2.gz ZRNOOBIAEBQKBT-GFCCVEGCSA-N 1 0 294.399 2.114 10 0 CEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H](c2ncco2)C1 ZINC000616621479 348537422 /nfs/dbraw/zinc/53/74/22/348537422.db2.gz PKWCEMCMXLMLPL-LBPRGKRZSA-N 1 0 295.383 2.379 10 0 CEAERO CCn1cc(C[C@@H]([NH2+]C)C2Cc3ccccc3C2)cn1 ZINC000088029452 179537444 /nfs/dbraw/zinc/53/74/44/179537444.db2.gz FADYWJQNPFPEKN-QGZVFWFLSA-N 1 0 269.392 2.449 10 0 CEAERO C[NH2+][C@@H](C)Cc1nc([C@H]2CCc3ccccc3C2)no1 ZINC000088043443 179538284 /nfs/dbraw/zinc/53/82/84/179538284.db2.gz JLKFDXNBAWVWJX-FZMZJTMJSA-N 1 0 271.364 2.493 10 0 CEAERO Cc1cnc(C)c(N(C)c2ccc(C(N)=[NH2+])cc2)n1 ZINC000088057781 179540685 /nfs/dbraw/zinc/54/06/85/179540685.db2.gz HNBRVYOCOSTZHK-UHFFFAOYSA-N 1 0 255.325 2.145 10 0 CEAERO C[C@H]([NH3+])C[S@@](=O)Cc1ccc(Br)cc1F ZINC000088069838 179543808 /nfs/dbraw/zinc/54/38/08/179543808.db2.gz DARZVADCMBAWKO-ZIDLFYJRSA-N 1 0 294.189 2.184 10 0 CEAERO C[C@H](C[NH3+])[S@](=O)Cc1ccc(F)cc1Br ZINC000088067740 179543974 /nfs/dbraw/zinc/54/39/74/179543974.db2.gz URTSCWHATIPRNB-MLXNANBUSA-N 1 0 294.189 2.184 10 0 CEAERO COc1ccc(CCn2cc(C[C@H](C)[NH3+])cn2)cc1 ZINC000088106357 179550160 /nfs/dbraw/zinc/55/01/60/179550160.db2.gz QSNBUQDJNVUXJU-LBPRGKRZSA-N 1 0 259.353 2.024 10 0 CEAERO CCO[C@@H](C[NH3+])COc1cc(F)cc(Br)c1 ZINC000088138583 179555441 /nfs/dbraw/zinc/55/54/41/179555441.db2.gz GHTYNGMYXJBANR-NSHDSACASA-N 1 0 292.148 2.331 10 0 CEAERO Cc1cccc(-c2nnc(CN3CC[NH2+]CC3(C)C)o2)c1 ZINC000088139995 179556291 /nfs/dbraw/zinc/55/62/91/179556291.db2.gz KIGRGFBLFXSHPS-UHFFFAOYSA-N 1 0 286.379 2.229 10 0 CEAERO CC[NH2+][C@@H]1CCCc2c(OC[C@@H](O)COCC)cccc21 ZINC000088152026 179557888 /nfs/dbraw/zinc/55/78/88/179557888.db2.gz ASGOEBOAQGGNST-XJKSGUPXSA-N 1 0 293.407 2.450 10 0 CEAERO C[NH2+][C@@H]1CCCc2c(OCCCS(C)(=O)=O)cccc21 ZINC000088151443 179557892 /nfs/dbraw/zinc/55/78/92/179557892.db2.gz KAMIGRGVKXGIIV-CQSZACIVSA-N 1 0 297.420 2.097 10 0 CEAERO CCNC(=O)Nc1ccc(C(N)=[NH2+])c(C(F)(F)F)c1 ZINC000088191694 179562043 /nfs/dbraw/zinc/56/20/43/179562043.db2.gz URZIWJPHKUDEGB-UHFFFAOYSA-N 1 0 274.246 2.131 10 0 CEAERO CC(C)(C)[N@@H+]1CCOC[C@H](c2ccccc2CCO)C1 ZINC000616661337 348553043 /nfs/dbraw/zinc/55/30/43/348553043.db2.gz QXBYQWIKYXKROS-OAHLLOKOSA-N 1 0 277.408 2.436 10 0 CEAERO [NH3+]CCN1CC[C@@H](c2ccncc2)c2ccccc21 ZINC000616673804 348556758 /nfs/dbraw/zinc/55/67/58/348556758.db2.gz FCNXEZINYQDBET-AWEZNQCLSA-N 1 0 253.349 2.382 10 0 CEAERO [NH3+]CCN1CCc2ccccc2[C@H]1c1ccc(CO)cc1 ZINC000616679356 348558398 /nfs/dbraw/zinc/55/83/98/348558398.db2.gz GNGOQVIEMKVDGU-GOSISDBHSA-N 1 0 282.387 2.085 10 0 CEAERO Nc1cccc([C@H]2CNc3ccccc3N2CC[NH3+])c1 ZINC000616683105 348559720 /nfs/dbraw/zinc/55/97/20/348559720.db2.gz BZUMSFNALJPCEQ-MRXNPFEDSA-N 1 0 268.364 2.201 10 0 CEAERO Nc1ccccc1[C@@H]1CN(CC[NH3+])c2ccccc2N1 ZINC000616693458 348562830 /nfs/dbraw/zinc/56/28/30/348562830.db2.gz SWLIXXIBVJJSER-HNNXBMFYSA-N 1 0 268.364 2.201 10 0 CEAERO Cc1ccc(S(=O)(=O)CC2(CC[NH3+])CC2)cc1C ZINC000088272342 179572681 /nfs/dbraw/zinc/57/26/81/179572681.db2.gz HRLBPCSVLLREMW-UHFFFAOYSA-N 1 0 267.394 2.206 10 0 CEAERO CC[C@@H]1CC[C@H](c2noc([C@@H]3C[C@H](OC)C[NH2+]3)n2)C1 ZINC000087995716 179531757 /nfs/dbraw/zinc/53/17/57/179531757.db2.gz TZHBYTAAASZPDR-RHYQMDGZSA-N 1 0 265.357 2.413 10 0 CEAERO COc1ccccc1OCCN1CCC[NH2+][C@@H](C2CC2)C1 ZINC000088415627 179596462 /nfs/dbraw/zinc/59/64/62/179596462.db2.gz SJOFCTDOFWTZNA-OAHLLOKOSA-N 1 0 290.407 2.148 10 0 CEAERO CC[NH2+][C@@H]1CCOC[C@@H]1N1CCC(C(F)(F)F)CC1 ZINC000088419499 179597377 /nfs/dbraw/zinc/59/73/77/179597377.db2.gz PQJIQGIHZMLNCL-NEPJUHHUSA-N 1 0 280.334 2.028 10 0 CEAERO CC[C@@H](C[NH2+]CC(C)C)Oc1c(C)nn(C)c1C ZINC000088453835 179607323 /nfs/dbraw/zinc/60/73/23/179607323.db2.gz BSTJSGYWFKUGJS-ZDUSSCGKSA-N 1 0 253.390 2.440 10 0 CEAERO Cc1nn(C)c(C)c1Oc1ccc(F)cc1C(N)=[NH2+] ZINC000088453349 179607486 /nfs/dbraw/zinc/60/74/86/179607486.db2.gz FUPJTVXKSJTXPS-UHFFFAOYSA-N 1 0 262.288 2.252 10 0 CEAERO Cc1csc(CCNC(=O)C[C@H](C[NH3+])CC(C)C)n1 ZINC000088288968 179574867 /nfs/dbraw/zinc/57/48/67/179574867.db2.gz NBSNDSNOUGSXNS-GFCCVEGCSA-N 1 0 283.441 2.121 10 0 CEAERO CC(C)CCNC(=O)[C@@H](C)N1CC[NH2+]CC12CCCCC2 ZINC000088396282 179591377 /nfs/dbraw/zinc/59/13/77/179591377.db2.gz UFZKRXVNOSYBHG-OAHLLOKOSA-N 1 0 295.471 2.145 10 0 CEAERO CCCCCNC(=O)[C@@H](C)N1CC[NH2+]CC12CCCCC2 ZINC000088396276 179591472 /nfs/dbraw/zinc/59/14/72/179591472.db2.gz LFEHLVCNGBLFDX-OAHLLOKOSA-N 1 0 295.471 2.289 10 0 CEAERO COc1cc([C@H](C)[NH2+]CC2CCOCC2)ccc1O ZINC000104197218 185926553 /nfs/dbraw/zinc/92/65/53/185926553.db2.gz JWTVUDHXTVJUFU-NSHDSACASA-N 1 0 265.353 2.478 10 0 CEAERO CCCn1ncnc1CO[C@]1(C[NH3+])CCC[C@H](C)C1 ZINC000088584930 179630928 /nfs/dbraw/zinc/63/09/28/179630928.db2.gz QGMQESVVTCCALN-GXTWGEPZSA-N 1 0 266.389 2.112 10 0 CEAERO CCCn1ncnc1C[C@H]([NH3+])C1(c2ccccc2)CC1 ZINC000088612111 179639343 /nfs/dbraw/zinc/63/93/43/179639343.db2.gz VZEJSLWLFHIZOZ-AWEZNQCLSA-N 1 0 270.380 2.290 10 0 CEAERO CCC[C@H]1C[NH2+][C@@H](C(C)C)CN1Cc1ncnn1C(C)C ZINC000088624880 179641637 /nfs/dbraw/zinc/64/16/37/179641637.db2.gz NLAZSXXJUWYAPW-LSDHHAIUSA-N 1 0 293.459 2.458 10 0 CEAERO CC(C)Cn1ncnc1C[C@]1(C[NH3+])CCc2ccccc21 ZINC000088626932 179643139 /nfs/dbraw/zinc/64/31/39/179643139.db2.gz ORTXRXKDXXBDEG-KRWDZBQOSA-N 1 0 284.407 2.320 10 0 CEAERO C[NH+](C)CCCNC(=O)c1sc2ccc(F)cc2c1N ZINC000088639618 179645464 /nfs/dbraw/zinc/64/54/64/179645464.db2.gz JTEJTDYRVPPUMM-UHFFFAOYSA-N 1 0 295.383 2.304 10 0 CEAERO Nc1c2ccccc2sc1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000088638260 179645686 /nfs/dbraw/zinc/64/56/86/179645686.db2.gz DWRXPOISOUBJAH-SECBINFHSA-N 1 0 275.377 2.047 10 0 CEAERO C[C@H]1CCCCC[C@@H]1[NH2+]C1CCN(C(N)=O)CC1 ZINC000088506104 179615788 /nfs/dbraw/zinc/61/57/88/179615788.db2.gz DEWNIHZKTOBIKJ-AAEUAGOBSA-N 1 0 253.390 2.088 10 0 CEAERO C[NH2+][C@H](Cc1nc2ccccc2s1)[C@H]1CCOC1 ZINC000088518767 179617366 /nfs/dbraw/zinc/61/73/66/179617366.db2.gz VCVHAPIKFDMMJY-CMPLNLGQSA-N 1 0 262.378 2.463 10 0 CEAERO CCc1nc(CC)n([C@@H](c2cccc(OC)c2)[C@@H](C)[NH3+])n1 ZINC000088740058 179662024 /nfs/dbraw/zinc/66/20/24/179662024.db2.gz ZJBHIHXRBFITHH-BDJLRTHQSA-N 1 0 288.395 2.348 10 0 CEAERO CC[NH2+][C@H](Cn1nc(CC)nc1CC)C(C)(C)C ZINC000088740816 179662144 /nfs/dbraw/zinc/66/21/44/179662144.db2.gz HVFARIXUIMYOCW-LLVKDONJSA-N 1 0 252.406 2.427 10 0 CEAERO CCC[NH2+]C[C@@H](C)S(=O)(=O)N(C)c1cccc(C)c1 ZINC000089021054 179691893 /nfs/dbraw/zinc/69/18/93/179691893.db2.gz QRKHOPBMODUPDJ-CYBMUJFWSA-N 1 0 284.425 2.149 10 0 CEAERO C[NH2+]CCc1nnc(-c2cc(F)cc(F)c2)s1 ZINC000088822531 179677883 /nfs/dbraw/zinc/67/78/83/179677883.db2.gz OECDPZSXDAQOAJ-UHFFFAOYSA-N 1 0 255.293 2.245 10 0 CEAERO COC(=O)[C@H](CC[N@@H+]1CCC[C@@H]1C(C)C)NC(C)C ZINC000088846879 179681348 /nfs/dbraw/zinc/68/13/48/179681348.db2.gz HFXMLMJWEVDLGW-UONOGXRCSA-N 1 0 270.417 2.037 10 0 CEAERO CC/C(=C\CN1CC[C@@H]([NH+]2CCCCC2)C1)C(=O)OC ZINC000089076189 179697416 /nfs/dbraw/zinc/69/74/16/179697416.db2.gz CRTWSAMAGWUECG-KEQVLUGWSA-N 1 0 280.412 2.056 10 0 CEAERO CN(C(=O)CSC(C)(C)C)[C@H]1CCC[C@H]1C[NH3+] ZINC000089110185 179705097 /nfs/dbraw/zinc/70/50/97/179705097.db2.gz OKCMOODXAYTGCL-QWRGUYRKSA-N 1 0 258.431 2.104 10 0 CEAERO CCn1cc(Cl)cc1C(=O)N(C)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089109912 179705123 /nfs/dbraw/zinc/70/51/23/179705123.db2.gz AMKFTZZCOMROBF-CMPLNLGQSA-N 1 0 283.803 2.361 10 0 CEAERO CCN(c1nc2sccn2c1C[C@H](C)[NH3+])C1CC1 ZINC000104256391 185945576 /nfs/dbraw/zinc/94/55/76/185945576.db2.gz NYCUPBBIDXFUSI-VIFPVBQESA-N 1 0 264.398 2.274 10 0 CEAERO CN(C(=O)c1cccc(F)c1)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089119144 179711321 /nfs/dbraw/zinc/71/13/21/179711321.db2.gz RUVLIRQHWSZWGA-TZMCWYRMSA-N 1 0 264.344 2.415 10 0 CEAERO CC[C@H]([NH3+])Cc1ccc(N(C)CCOC)c(C)c1 ZINC000104276406 185952484 /nfs/dbraw/zinc/95/24/84/185952484.db2.gz GKFIIJSETGNCJO-AWEZNQCLSA-N 1 0 250.386 2.357 10 0 CEAERO CCCCN(CC[NH3+])Cc1nn(C)c2ccccc12 ZINC000089174990 179740565 /nfs/dbraw/zinc/74/05/65/179740565.db2.gz ZRNDKCQIHKJGMJ-UHFFFAOYSA-N 1 0 260.385 2.134 10 0 CEAERO CC[C@@H](C)[C@@H]1C[NH2+]CCN1Cc1nn(C)c2ccccc12 ZINC000089180275 179743984 /nfs/dbraw/zinc/74/39/84/179743984.db2.gz BBBPKYUIFVRHTA-DYVFJYSZSA-N 1 0 286.423 2.393 10 0 CEAERO CCc1cc(CN(CC)CC[NH2+]C(C)C)n(CC)n1 ZINC000089185733 179746757 /nfs/dbraw/zinc/74/67/57/179746757.db2.gz WZFVSDCQNQOILI-UHFFFAOYSA-N 1 0 266.433 2.285 10 0 CEAERO CCc1cc(CO[C@@H]2CCC[C@H]2C[NH3+])n(CC)n1 ZINC000089186809 179747545 /nfs/dbraw/zinc/74/75/45/179747545.db2.gz SCHXVODEWNKIKS-SMDDNHRTSA-N 1 0 251.374 2.109 10 0 CEAERO Cc1nn(C)c(CO[C@H]2CCCC[C@H]2C[NH3+])c1Cl ZINC000089234938 179759781 /nfs/dbraw/zinc/75/97/81/179759781.db2.gz MJVOTZUYRIYCIM-JQWIXIFHSA-N 1 0 271.792 2.416 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000089461593 539719233 /nfs/dbraw/zinc/71/92/33/539719233.db2.gz FXKIWXMQCKTFJA-IACUBPJLSA-N 1 0 252.402 2.446 10 0 CEAERO CCOc1ccccc1OCC[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401484558 233182452 /nfs/dbraw/zinc/18/24/52/233182452.db2.gz BVYZXJMZYAZHCQ-KGLIPLIRSA-N 1 0 279.380 2.167 10 0 CEAERO C[C@H]1C[C@H](O)C[N@H+](CCCOc2ccc(F)cc2)C1 ZINC000401522386 233183344 /nfs/dbraw/zinc/18/33/44/233183344.db2.gz CTSGBHSBJYBHRA-JSGCOSHPSA-N 1 0 267.344 2.297 10 0 CEAERO CCC[NH2+][C@@H](Cc1cc(CC)nn1C)C[C@H]1CCCO1 ZINC000089193187 179749943 /nfs/dbraw/zinc/74/99/43/179749943.db2.gz NPLWJJCCEOLYSL-GOEBONIOSA-N 1 0 279.428 2.462 10 0 CEAERO C[C@H]1C[C@H](O)C[N@H+](CCC(=O)c2ccc(F)cc2)C1 ZINC000401910207 233186028 /nfs/dbraw/zinc/18/60/28/233186028.db2.gz PYGZVHPVUIBVLV-FZMZJTMJSA-N 1 0 265.328 2.101 10 0 CEAERO CC[NH2+][C@@H](Cc1cc(CC)nn1CC)[C@@H]1CCCO1 ZINC000089199305 179752143 /nfs/dbraw/zinc/75/21/43/179752143.db2.gz ZXGPLIXGMSZYFX-GJZGRUSLSA-N 1 0 265.401 2.165 10 0 CEAERO Cc1nc2cc(NC(=O)[C@H]3CCC[C@@H]3C[NH3+])ccc2o1 ZINC000089459819 539718493 /nfs/dbraw/zinc/71/84/93/539718493.db2.gz YDCWTJLPDOWHKE-PWSUYJOCSA-N 1 0 273.336 2.450 10 0 CEAERO Cc1cc(CN2C[C@@H](C3CC3)[NH2+]C[C@@H]2C(C)(C)C)n(C)n1 ZINC000089211112 179755796 /nfs/dbraw/zinc/75/57/96/179755796.db2.gz RBQGJNYVGMQSNA-JKSUJKDBSA-N 1 0 290.455 2.327 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(Cc2cc(C)nn2CC)CCC[NH2+]1 ZINC000089211238 179755989 /nfs/dbraw/zinc/75/59/89/179755989.db2.gz UTBGIWOCPQBBLL-CJNGLKHVSA-N 1 0 278.444 2.421 10 0 CEAERO CCc1nn(CC)c(Cn2ccnc2C[C@H](C)[NH3+])c1Cl ZINC000089378546 179775011 /nfs/dbraw/zinc/77/50/11/179775011.db2.gz GZOYQUHUPZLASS-JTQLQIEISA-N 1 0 295.818 2.253 10 0 CEAERO CCO[C@H](C)[C@H]([NH3+])Cc1c(Cl)c(CC)nn1CC ZINC000089360288 179773113 /nfs/dbraw/zinc/77/31/13/179773113.db2.gz KLAWTEJYFGXZKV-NXEZZACHSA-N 1 0 273.808 2.414 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@@H]1C(=O)NCCc1ccccc1F ZINC000089386090 179777748 /nfs/dbraw/zinc/77/77/48/179777748.db2.gz LQICTBCWKAADLT-KGLIPLIRSA-N 1 0 278.371 2.250 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@H]1C(=O)NCCc1ccsc1 ZINC000089396408 179779962 /nfs/dbraw/zinc/77/99/62/179779962.db2.gz PHVRHMUNKORXGB-CHWSQXEVSA-N 1 0 266.410 2.172 10 0 CEAERO COC(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000089395515 179780079 /nfs/dbraw/zinc/78/00/79/179780079.db2.gz SWHCCGDJGPWYIZ-TZMCWYRMSA-N 1 0 290.363 2.177 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCc1ccc(Cl)s1 ZINC000089462958 179796838 /nfs/dbraw/zinc/79/68/38/179796838.db2.gz GFDRCVIEHFZDSY-SCZZXKLOSA-N 1 0 272.801 2.393 10 0 CEAERO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089456757 179794336 /nfs/dbraw/zinc/79/43/36/179794336.db2.gz YRNZYJQEPXUKOX-VHSXEESVSA-N 1 0 266.307 2.162 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1ccc(-c2nnco2)cc1 ZINC000089459634 179795402 /nfs/dbraw/zinc/79/54/02/179795402.db2.gz GUTLIWAHKSARCW-WCQYABFASA-N 1 0 286.335 2.050 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1c1nc(CC(F)(F)F)no1 ZINC000089383505 179776134 /nfs/dbraw/zinc/77/61/34/179776134.db2.gz NPMBIRCZOVFPCQ-YUMQZZPRSA-N 1 0 263.263 2.407 10 0 CEAERO NC(=O)c1cc(F)ccc1OC[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089537846 179813621 /nfs/dbraw/zinc/81/36/21/179813621.db2.gz NINHBHQCQOBSJC-GHMZBOCLSA-N 1 0 280.343 2.069 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1COc1cnc2ccccc2n1 ZINC000089538354 179813638 /nfs/dbraw/zinc/81/36/38/179813638.db2.gz XDDBHCGDUVTEHD-VXGBXAGGSA-N 1 0 257.337 2.384 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1CNC(=O)CCc1ccccc1 ZINC000089500689 179805007 /nfs/dbraw/zinc/80/50/07/179805007.db2.gz BSWPDQIFTRYEDY-LSDHHAIUSA-N 1 0 260.381 2.110 10 0 CEAERO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1CO)C(=O)N1CCCCCC1 ZINC000089527500 179810026 /nfs/dbraw/zinc/81/00/26/179810026.db2.gz WEALKDVXXASRPQ-HRCADAONSA-N 1 0 296.455 2.166 10 0 CEAERO Cc1cc(C(=O)NC[C@@H]2CCCC[C@@H]2C[NH3+])c(C)o1 ZINC000089531142 179811123 /nfs/dbraw/zinc/81/11/23/179811123.db2.gz XUEVGDPQIPPPHB-OLZOCXBDSA-N 1 0 264.369 2.391 10 0 CEAERO CCN(c1cnc2ccccc2n1)[C@@H]1CCC[NH2+]C1 ZINC000104328676 185971013 /nfs/dbraw/zinc/97/10/13/185971013.db2.gz JHJIKYQMXBMQML-GFCCVEGCSA-N 1 0 256.353 2.208 10 0 CEAERO C[C@H](NC(=O)C[C@H]1CC[NH2+]C1)c1cc(F)ccc1F ZINC000089741805 539730089 /nfs/dbraw/zinc/73/00/89/539730089.db2.gz FRNHWXNHEOFGLB-VHSXEESVSA-N 1 0 268.307 2.142 10 0 CEAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(C)CCN2C)CC(C)(C)C1 ZINC000068802827 362947480 /nfs/dbraw/zinc/94/74/80/362947480.db2.gz HMKJGIHWGKGELZ-QLFBSQMISA-N 1 0 267.461 2.037 10 0 CEAERO CN(Cc1ccc(Cl)cc1)[C@H](C[NH3+])c1cncn1C ZINC000090167495 179924205 /nfs/dbraw/zinc/92/42/05/179924205.db2.gz WDLNMRGGPQMOOY-CYBMUJFWSA-N 1 0 278.787 2.205 10 0 CEAERO C[C@](O)(CO)C[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000090286053 179949730 /nfs/dbraw/zinc/94/97/30/179949730.db2.gz IGQPDDUQBMCRCH-OWCLPIDISA-N 1 0 263.381 2.046 10 0 CEAERO CCOc1cc2c(cc1CN(CC)C1C[NH2+]C1)O[C@@H](C)C2 ZINC000090290745 179950601 /nfs/dbraw/zinc/95/06/01/179950601.db2.gz NKVFBCUHUAUOSL-LBPRGKRZSA-N 1 0 290.407 2.202 10 0 CEAERO CCCN(C(=O)Cc1cccc(Cl)c1)C1C[NH2+]C1 ZINC000090292859 179951411 /nfs/dbraw/zinc/95/14/11/179951411.db2.gz KFEXTFDHLVPCOK-UHFFFAOYSA-N 1 0 266.772 2.093 10 0 CEAERO CCC[NH2+]Cc1cncn1CCOCCC(C)C ZINC000090241916 179939435 /nfs/dbraw/zinc/93/94/35/179939435.db2.gz MZEXFSVCYMUGBE-UHFFFAOYSA-N 1 0 253.390 2.445 10 0 CEAERO COC(OC)[C@@](C)(C[NH3+])N(Cc1cccs1)C1CC1 ZINC000090266485 179942567 /nfs/dbraw/zinc/94/25/67/179942567.db2.gz JBFFEJFRFFEULT-CQSZACIVSA-N 1 0 284.425 2.049 10 0 CEAERO CC(C)n1cccc1C(=O)N1C[C@H]2C[NH2+]C[C@@H]2C1(C)C ZINC000090336084 179964993 /nfs/dbraw/zinc/96/49/93/179964993.db2.gz OUAHHHMASGOMOQ-OLZOCXBDSA-N 1 0 275.396 2.139 10 0 CEAERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)c1cc2c(s1)CCC2 ZINC000090335967 179965221 /nfs/dbraw/zinc/96/52/21/179965221.db2.gz GIJAXWHCXHRTNI-VXGBXAGGSA-N 1 0 290.432 2.307 10 0 CEAERO Cc1ccc(F)cc1NC(=O)CSC[C@@H](C)C[NH3+] ZINC000090349956 179972326 /nfs/dbraw/zinc/97/23/26/179972326.db2.gz OWGKVZSLOPNGHC-VIFPVBQESA-N 1 0 270.373 2.401 10 0 CEAERO C[C@H](CC[NH3+])SCC(=O)N(C)Cc1ccsc1 ZINC000090354282 179973547 /nfs/dbraw/zinc/97/35/47/179973547.db2.gz DRWOBXRPBASPTD-SNVBAGLBSA-N 1 0 272.439 2.177 10 0 CEAERO CC[C@H]([NH3+])CSCC(=O)Nc1cccnc1Cl ZINC000090356520 179974984 /nfs/dbraw/zinc/97/49/84/179974984.db2.gz YZMZEPWDHRLKLO-QMMMGPOBSA-N 1 0 273.789 2.144 10 0 CEAERO C[C@@H](NC(=O)CSCC(C)(C)[NH3+])c1ccc(F)cc1 ZINC000090358556 179976417 /nfs/dbraw/zinc/97/64/17/179976417.db2.gz SDMHEVJNIRRBFR-SNVBAGLBSA-N 1 0 284.400 2.473 10 0 CEAERO C[NH2+][C@H]1COC[C@@H]1c1nc2ccccc2n1CC(F)(F)F ZINC000090388736 179979945 /nfs/dbraw/zinc/97/99/45/179979945.db2.gz FHGFXMWQMAXWQX-ONGXEEELSA-N 1 0 299.296 2.300 10 0 CEAERO C[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000090431388 179985542 /nfs/dbraw/zinc/98/55/42/179985542.db2.gz YVUTZQRKKLTZAT-GZMMTYOYSA-N 1 0 289.162 2.166 10 0 CEAERO C[NH2+][C@H](C)C1CCN(c2cc(C(C)C)ncn2)CC1 ZINC000104428224 185998349 /nfs/dbraw/zinc/99/83/49/185998349.db2.gz LSHVEESGFGATBO-GFCCVEGCSA-N 1 0 262.401 2.424 10 0 CEAERO CC(C)Cc1ccc(C[NH2+][C@H]2CCOC[C@H]2O)cc1 ZINC000623765679 350106519 /nfs/dbraw/zinc/10/65/19/350106519.db2.gz VZJVGCCHXGEQLH-JKSUJKDBSA-N 1 0 263.381 2.125 10 0 CEAERO CCCCCN(C(=O)[C@@H]1COC[C@@H]1[NH2+]CC)C(C)C ZINC000090490162 179992346 /nfs/dbraw/zinc/99/23/46/179992346.db2.gz NKRSWULKZBQHCS-KGLIPLIRSA-N 1 0 270.417 2.038 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1c1nc2cccnc2n1CCC ZINC000090527327 179998195 /nfs/dbraw/zinc/99/81/95/179998195.db2.gz VDCMCVDIQKZQIA-JSGCOSHPSA-N 1 0 288.395 2.323 10 0 CEAERO c1ccc(-c2nc(CSCC3C[NH2+]C3)no2)cc1 ZINC000090713038 180028414 /nfs/dbraw/zinc/02/84/14/180028414.db2.gz VUMNKMJUOAOHMA-UHFFFAOYSA-N 1 0 261.350 2.189 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)Nc1cccc(OCC)c1 ZINC000090541586 180000372 /nfs/dbraw/zinc/00/03/72/180000372.db2.gz KYDMBXLYNJJHHH-CABCVRRESA-N 1 0 292.379 2.038 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N1CCC(C(C)(C)C)CC1 ZINC000090544507 180001105 /nfs/dbraw/zinc/00/11/05/180001105.db2.gz DXNSOBSKNYEFGG-LSDHHAIUSA-N 1 0 296.455 2.286 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N[C@@H](CC)C1CCCCC1 ZINC000090544678 180001315 /nfs/dbraw/zinc/00/13/15/180001315.db2.gz APKYGKMELTZWNX-HRCADAONSA-N 1 0 296.455 2.476 10 0 CEAERO COCc1cccc(C[NH2+]C[C@H](C)N2CCCC2)c1 ZINC000090714342 180028561 /nfs/dbraw/zinc/02/85/61/180028561.db2.gz CPLWQVZXZWBPHB-AWEZNQCLSA-N 1 0 262.397 2.407 10 0 CEAERO CC(=O)c1ccccc1OCCSCC1C[NH2+]C1 ZINC000090713161 180028584 /nfs/dbraw/zinc/02/85/84/180028584.db2.gz RXIRWWDFMZZSRD-UHFFFAOYSA-N 1 0 265.378 2.221 10 0 CEAERO Cc1ccc2c(c1)nc([C@]1(C)COC[C@@H]1[NH3+])n2C1CC1 ZINC000090571704 180007214 /nfs/dbraw/zinc/00/72/14/180007214.db2.gz XAYTYTVQBKOAJM-GOEBONIOSA-N 1 0 271.364 2.295 10 0 CEAERO CC(C)n1c2ccccc2nc1[C@]1(C)COC[C@H]1[NH3+] ZINC000090571670 180007429 /nfs/dbraw/zinc/00/74/29/180007429.db2.gz HRCYJYMZMDYYIO-UKRRQHHQSA-N 1 0 259.353 2.232 10 0 CEAERO C[C@@]1(c2nc(C3CCC(C)(C)CC3)no2)COC[C@H]1[NH3+] ZINC000090574146 180008516 /nfs/dbraw/zinc/00/85/16/180008516.db2.gz LRDLBOJYFTTWNG-IAQYHMDHSA-N 1 0 279.384 2.369 10 0 CEAERO CCc1cccc(CC)c1NC(=O)[C@]1(C)COC[C@@H]1[NH3+] ZINC000090580280 180008727 /nfs/dbraw/zinc/00/87/27/180008727.db2.gz XDRKNDZQCBAGCH-XJKSGUPXSA-N 1 0 276.380 2.114 10 0 CEAERO CCN(C(=O)[C@]1(C)COC[C@@H]1[NH3+])[C@H](C)c1ccc(F)cc1 ZINC000090593618 180009944 /nfs/dbraw/zinc/00/99/44/180009944.db2.gz OUOUJCGSABCAJT-DIOULYMOSA-N 1 0 294.370 2.099 10 0 CEAERO C[C@@H](O[C@@H](C)C(F)(F)F)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000090671937 180021078 /nfs/dbraw/zinc/02/10/78/180021078.db2.gz BVJJWHGKIKEEDK-BDAKNGLRSA-N 1 0 290.285 2.440 10 0 CEAERO C[C@@H](OCCC(=O)Nc1cccc(C[NH3+])c1)C(F)(F)F ZINC000090671941 180021228 /nfs/dbraw/zinc/02/12/28/180021228.db2.gz UACMSQMORKRWBW-SECBINFHSA-N 1 0 290.285 2.441 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)CCCO[C@H](C)C(F)(F)F ZINC000090675965 180022338 /nfs/dbraw/zinc/02/23/38/180022338.db2.gz KTZVZQOQAALGOW-GHMZBOCLSA-N 1 0 271.323 2.483 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)CCO[C@H](C)C(F)(F)F ZINC000090676040 180022438 /nfs/dbraw/zinc/02/24/38/180022438.db2.gz AGYWMGQGCRVKKI-ZJUUUORDSA-N 1 0 257.296 2.093 10 0 CEAERO C[C@H]1CCC[C@](CNc2nc(N)ns2)([NH+](C)C)C1 ZINC000090693080 180025606 /nfs/dbraw/zinc/02/56/06/180025606.db2.gz PVHXXRLVVGGULV-CABZTGNLSA-N 1 0 269.418 2.043 10 0 CEAERO C[C@@H]1CCC[C@](CNc2nc(N)ns2)([NH+](C)C)C1 ZINC000090693079 180025629 /nfs/dbraw/zinc/02/56/29/180025629.db2.gz PVHXXRLVVGGULV-SKDRFNHKSA-N 1 0 269.418 2.043 10 0 CEAERO CC(C)(C)C(=O)N1CCCSC[C@H]1C[NH+]1CCCC1 ZINC000090700525 180027769 /nfs/dbraw/zinc/02/77/69/180027769.db2.gz HSWFAWNHOPYVLF-CYBMUJFWSA-N 1 0 284.469 2.462 10 0 CEAERO Cc1ccc2c(c1)nc(-c1csc(C[NH3+])n1)n2C ZINC000090932814 180066587 /nfs/dbraw/zinc/06/65/87/180066587.db2.gz WZQAARVNLDOBMB-UHFFFAOYSA-N 1 0 258.350 2.464 10 0 CEAERO COC(=O)c1cc(NC[C@H](C)[NH+]2CCCCC2)ccn1 ZINC000090737364 180034013 /nfs/dbraw/zinc/03/40/13/180034013.db2.gz WOYZLZWLWGCWPN-LBPRGKRZSA-N 1 0 277.368 2.155 10 0 CEAERO CCn1c2ccncc2nc1-c1csc(C[NH3+])n1 ZINC000090932871 180066615 /nfs/dbraw/zinc/06/66/15/180066615.db2.gz NTNSPHZSJFSDQC-UHFFFAOYSA-N 1 0 259.338 2.033 10 0 CEAERO COC[C@H]([NH2+]C[C@H]1CCCN1CC(C)C)C(C)C ZINC000090773339 180038554 /nfs/dbraw/zinc/03/85/54/180038554.db2.gz CZIJCTIAFXAMQQ-CABCVRRESA-N 1 0 256.434 2.367 10 0 CEAERO CCOc1cc(N2CCC[C@H]2C[NH2+]C(C)(C)C)ncn1 ZINC000090784602 180040204 /nfs/dbraw/zinc/04/02/04/180040204.db2.gz YSBOCCGPAVSABW-LBPRGKRZSA-N 1 0 278.400 2.232 10 0 CEAERO CCCOc1cc(N(C)[C@H]2CCCC[C@@H]2C[NH3+])ncn1 ZINC000090785287 180040241 /nfs/dbraw/zinc/04/02/41/180040241.db2.gz GBVDLOAFZVTZIX-OLZOCXBDSA-N 1 0 278.400 2.219 10 0 CEAERO CC(C)Oc1cc(N[C@@H](C)[C@H]2CCC[NH2+]C2)ncn1 ZINC000090786068 180040275 /nfs/dbraw/zinc/04/02/75/180040275.db2.gz DIIBZPUEUZUJQK-RYUDHWBXSA-N 1 0 264.373 2.064 10 0 CEAERO CCOc1cc(NC[C@@H]2CCCC[C@H]2C[NH3+])ncn1 ZINC000090784831 180040280 /nfs/dbraw/zinc/04/02/80/180040280.db2.gz PAVHTSYKNVPMSV-RYUDHWBXSA-N 1 0 264.373 2.052 10 0 CEAERO COc1ncnc(N(CCC[NH3+])c2cccc(F)c2)c1C ZINC000090788674 180041316 /nfs/dbraw/zinc/04/13/16/180041316.db2.gz DYGCSHGHRPIKTQ-UHFFFAOYSA-N 1 0 290.342 2.420 10 0 CEAERO CCOc1cc(N(C)Cc2ccc(C[NH3+])cc2)nc(C)n1 ZINC000090787759 180041598 /nfs/dbraw/zinc/04/15/98/180041598.db2.gz ZTWAPLOZINPPCK-UHFFFAOYSA-N 1 0 286.379 2.279 10 0 CEAERO CC(C)CSC[C@H](C)[NH2+]C[C@@H](C)[S@](C)=O ZINC000090841988 180043580 /nfs/dbraw/zinc/04/35/80/180043580.db2.gz WGIPTZVTERKDSI-FIXISWKDSA-N 1 0 251.461 2.121 10 0 CEAERO C[C@@H](C[NH2+][C@@H](C)c1cccnc1Cl)[S@](C)=O ZINC000090842355 180044583 /nfs/dbraw/zinc/04/45/83/180044583.db2.gz NWVFVBRPCAMWHA-OMQMVUIESA-N 1 0 260.790 2.153 10 0 CEAERO C[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1F)[S@](C)=O ZINC000090842877 180044626 /nfs/dbraw/zinc/04/46/26/180044626.db2.gz WIXXXCJGMTWFEX-KSRUKNBBSA-N 1 0 261.337 2.382 10 0 CEAERO CC(C)CNC(=O)[C@H](C)Sc1cccc(C[NH3+])c1 ZINC000090870531 180049277 /nfs/dbraw/zinc/04/92/77/180049277.db2.gz YMAOGFWYZZFSLC-NSHDSACASA-N 1 0 266.410 2.398 10 0 CEAERO CCC[NH2+]Cc1cccc(SCC(=O)N(C)C)c1 ZINC000090871513 180049731 /nfs/dbraw/zinc/04/97/31/180049731.db2.gz QYBNOLUTEPPFMU-UHFFFAOYSA-N 1 0 266.410 2.367 10 0 CEAERO c1ccc2c(c1)C[C@@H](COCC[C@@H]1CCC[NH2+]C1)O2 ZINC000090875665 180050747 /nfs/dbraw/zinc/05/07/47/180050747.db2.gz JVHSMQBTYKJMEW-ZFWWWQNUSA-N 1 0 261.365 2.396 10 0 CEAERO COc1cc(C[NH2+]C[C@@H]2Cc3ccccc3O2)ccn1 ZINC000090874608 180051020 /nfs/dbraw/zinc/05/10/20/180051020.db2.gz XUYWRHJSIRHIFF-AWEZNQCLSA-N 1 0 270.332 2.184 10 0 CEAERO CC1(C)C[NH2+][C@H](C2CC2)CN1C[C@@H]1Cc2ccccc2O1 ZINC000090878320 180051666 /nfs/dbraw/zinc/05/16/66/180051666.db2.gz JZTZIUJQSSDDOW-HOTGVXAUSA-N 1 0 286.419 2.453 10 0 CEAERO CC[C@@](C)(C[NH3+])OC[C@@H]1Cc2cc(F)ccc2O1 ZINC000090878960 180053097 /nfs/dbraw/zinc/05/30/97/180053097.db2.gz BPODDDLNYQIUEA-JSGCOSHPSA-N 1 0 253.317 2.273 10 0 CEAERO Fc1ccc2c(c1)C[C@H](C[NH2+]CC[C@@H]1CCCO1)O2 ZINC000090892295 180053668 /nfs/dbraw/zinc/05/36/68/180053668.db2.gz AYFFDRSKBYBFMH-UONOGXRCSA-N 1 0 265.328 2.288 10 0 CEAERO CC[C@](C)(C[NH3+])N(C)C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090891792 180053996 /nfs/dbraw/zinc/05/39/96/180053996.db2.gz OPIDMJPLWAXBCL-DZGCQCFKSA-N 1 0 266.360 2.188 10 0 CEAERO O[C@@H](C[NH2+]C[C@@H]1Cc2cc(F)ccc2O1)c1ccccc1 ZINC000090892134 180054249 /nfs/dbraw/zinc/05/42/49/180054249.db2.gz FACURIIBOPKFBI-HOTGVXAUSA-N 1 0 287.334 2.452 10 0 CEAERO CCN(CC)C[C@@H](C)[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892627 180054906 /nfs/dbraw/zinc/05/49/06/180054906.db2.gz WUALJWPECDEEDY-DOMZBBRYSA-N 1 0 280.387 2.449 10 0 CEAERO CC(=O)[C@H]1CCC[N@H+](C[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090893212 180055188 /nfs/dbraw/zinc/05/51/88/180055188.db2.gz CTMHWNPVIPYPCS-WFASDCNBSA-N 1 0 277.339 2.430 10 0 CEAERO C[NH2+]C[C@@]1(C[C@H]2Cc3cc(F)ccc3O2)CCOC1 ZINC000090895178 180056225 /nfs/dbraw/zinc/05/62/25/180056225.db2.gz WFKQEGYTPQGXGQ-HIFRSBDPSA-N 1 0 265.328 2.145 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[NH2+][C@@H]1CCN(C3CC3)C1)O2 ZINC000090897804 180056879 /nfs/dbraw/zinc/05/68/79/180056879.db2.gz JWYFCVBJGAZKNI-GDBMZVCRSA-N 1 0 272.392 2.125 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](C[NH2+]CCN(C)C(C)C)O2 ZINC000090897953 180056943 /nfs/dbraw/zinc/05/69/43/180056943.db2.gz MQJXJAHWFQENAG-HNNXBMFYSA-N 1 0 262.397 2.228 10 0 CEAERO COc1cc(C[NH2+]C[C@H]2Cc3cc(C)ccc3O2)ccn1 ZINC000090897988 180057157 /nfs/dbraw/zinc/05/71/57/180057157.db2.gz KULRKVIEFWZLEF-OAHLLOKOSA-N 1 0 284.359 2.492 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](C[NH2+][C@H](C)Cn1ccnc1)O2 ZINC000090897657 180057163 /nfs/dbraw/zinc/05/71/63/180057163.db2.gz IAIOLDDDXOLUDB-HIFRSBDPSA-N 1 0 271.364 2.173 10 0 CEAERO C[NH2+]CC1CC(OC[C@@H]2Cc3cc(C)ccc3O2)C1 ZINC000090899188 180058130 /nfs/dbraw/zinc/05/81/30/180058130.db2.gz FAGMLIDWOSOBBG-ZALBZXLWSA-N 1 0 261.365 2.313 10 0 CEAERO COC(=O)[C@H](C)C[N@H+](C)C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090900868 180059370 /nfs/dbraw/zinc/05/93/70/180059370.db2.gz OFUDIWFXJGLXOK-OCCSQVGLSA-N 1 0 277.364 2.039 10 0 CEAERO COC[C@H](C)[NH2+]C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090903099 180059577 /nfs/dbraw/zinc/05/95/77/180059577.db2.gz VFORAHGLLWKKEZ-CABZTGNLSA-N 1 0 255.745 2.268 10 0 CEAERO C[NH2+]Cc1cnc(C)n1C[C@H]1Cc2cc(C)ccc2O1 ZINC000090901953 180059778 /nfs/dbraw/zinc/05/97/78/180059778.db2.gz OKVCFGPPBSRCNQ-OAHLLOKOSA-N 1 0 271.364 2.223 10 0 CEAERO CC(C)Oc1ccc([C@@H](O)CN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090906947 180061176 /nfs/dbraw/zinc/06/11/76/180061176.db2.gz WWJJNHVZFWSLBL-BBWFWOEESA-N 1 0 291.391 2.370 10 0 CEAERO Cc1ccc(C)c([C@@H](O)CN2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000090906970 180061397 /nfs/dbraw/zinc/06/13/97/180061397.db2.gz IQFLHWQISPOVTR-LZWOXQAQSA-N 1 0 261.365 2.200 10 0 CEAERO CC[NH2+][C@H](C)c1csc(N2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000090908128 180062330 /nfs/dbraw/zinc/06/23/30/180062330.db2.gz VXZQGGUCEJVSMI-MXWKQRLJSA-N 1 0 267.398 2.181 10 0 CEAERO C[NH2+][C@H](C)c1ccc(NC(=O)N2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090909157 180062966 /nfs/dbraw/zinc/06/29/66/180062966.db2.gz FQPQZOCVVCAEKX-DFBGVHRSSA-N 1 0 289.379 2.362 10 0 CEAERO Cc1cc(CNC(=O)c2csc(CC[NH3+])n2)sc1C ZINC000090957559 180074782 /nfs/dbraw/zinc/07/47/82/180074782.db2.gz HPZLKHHDJXQVRP-UHFFFAOYSA-N 1 0 295.433 2.253 10 0 CEAERO COCCN(Cc1csc([C@H](C)[NH3+])n1)CC(C)C ZINC000090958282 180075199 /nfs/dbraw/zinc/07/51/99/180075199.db2.gz WOKLPZKFLCQNRE-NSHDSACASA-N 1 0 271.430 2.267 10 0 CEAERO C[C@@H]([NH2+]Cc1sccc1N)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000090960127 180075435 /nfs/dbraw/zinc/07/54/35/180075435.db2.gz ZFKWXHDZPVPNQM-MRVPVSSYSA-N 1 0 288.376 2.351 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000090959277 180075677 /nfs/dbraw/zinc/07/56/77/180075677.db2.gz ZMLVYAPPQMXYFR-SKDRFNHKSA-N 1 0 268.382 2.364 10 0 CEAERO NC(=O)N1CCC([NH2+][C@H]2CCCc3cc(F)ccc32)CC1 ZINC000090964294 180077095 /nfs/dbraw/zinc/07/70/95/180077095.db2.gz SSNMJNDXKJIZRZ-HNNXBMFYSA-N 1 0 291.370 2.336 10 0 CEAERO CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1NC(C)=O ZINC000090962519 180077127 /nfs/dbraw/zinc/07/71/27/180077127.db2.gz KOMPPPUQJDVTDZ-HUUCEWRRSA-N 1 0 262.353 2.302 10 0 CEAERO COCC[NH2+]C[C@H]1CCCN1C[C@@H]1Cc2ccccc21 ZINC000090977532 180079100 /nfs/dbraw/zinc/07/91/00/180079100.db2.gz DFDFZXYUENLLMT-JKSUJKDBSA-N 1 0 274.408 2.027 10 0 CEAERO [NH3+]CCCN(C(=O)[C@H]1Cc2ccccc21)C1CCCC1 ZINC000090982577 180079339 /nfs/dbraw/zinc/07/93/39/180079339.db2.gz VXHUUZGJPYVUNX-INIZCTEOSA-N 1 0 272.392 2.446 10 0 CEAERO CN(C(=O)[C@@H]1Cc2ccccc21)c1ccc(C[NH3+])cc1 ZINC000090982603 180079420 /nfs/dbraw/zinc/07/94/20/180079420.db2.gz CJVHLMHKZGIXLQ-MRXNPFEDSA-N 1 0 266.344 2.448 10 0 CEAERO CN(CC[C@H]1CCCC[NH2+]1)C(=O)[C@@H]1Cc2ccccc21 ZINC000090983751 180080106 /nfs/dbraw/zinc/08/01/06/180080106.db2.gz VZOFKKYLBTXRMN-GDBMZVCRSA-N 1 0 272.392 2.317 10 0 CEAERO C[NH2+][C@@H](c1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1Cc2ccccc21 ZINC000090983978 180080153 /nfs/dbraw/zinc/08/01/53/180080153.db2.gz KEEDJBCVYCEIJG-CJNGLKHVSA-N 1 0 279.343 2.457 10 0 CEAERO C[C@@H]([NH3+])c1csc(NC(=O)[C@H]2Cc3ccccc32)n1 ZINC000090983487 180080366 /nfs/dbraw/zinc/08/03/66/180080366.db2.gz YGCSKHVACXIBOT-KCJUWKMLSA-N 1 0 273.361 2.441 10 0 CEAERO CN(C(=O)[C@@H]1Cc2ccccc21)[C@H]1CCCC[C@H]1C[NH3+] ZINC000090985642 180080843 /nfs/dbraw/zinc/08/08/43/180080843.db2.gz MPMGNKPJSUXTOM-IMJJTQAJSA-N 1 0 272.392 2.302 10 0 CEAERO C[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1Cc2ccccc21 ZINC000090985558 180080871 /nfs/dbraw/zinc/08/08/71/180080871.db2.gz AENURWPRLMTXRF-ZBFHGGJFSA-N 1 0 272.392 2.317 10 0 CEAERO CCN(C(=O)[C@@H]1Cc2ccccc21)[C@@H]1CCC[C@H]1C[NH3+] ZINC000090985637 180081026 /nfs/dbraw/zinc/08/10/26/180081026.db2.gz OSEDMMPLABTZPY-NUEKZKHPSA-N 1 0 272.392 2.302 10 0 CEAERO CCC[NH2+]Cc1cn(C[C@H](C)C(N)=O)c2ccccc12 ZINC000090995477 180082721 /nfs/dbraw/zinc/08/27/21/180082721.db2.gz ARLPTZAPSORVCF-LBPRGKRZSA-N 1 0 273.380 2.262 10 0 CEAERO CCC[NH2+]Cc1cccn1Cc1ncc(Cl)n1C ZINC000090996180 180083399 /nfs/dbraw/zinc/08/33/99/180083399.db2.gz DYPDDEYJQRVMRL-UHFFFAOYSA-N 1 0 266.776 2.423 10 0 CEAERO CCN(C(=O)Cn1cccc1C[NH2+]C(C)(C)C)C1CC1 ZINC000091001656 180083446 /nfs/dbraw/zinc/08/34/46/180083446.db2.gz OEWQQZANMOTYQG-UHFFFAOYSA-N 1 0 277.412 2.387 10 0 CEAERO C[C@H]([NH3+])Cc1cccn1Cc1cn2ccccc2n1 ZINC000091005321 180084752 /nfs/dbraw/zinc/08/47/52/180084752.db2.gz LEXFCBJWXKNCKT-LBPRGKRZSA-N 1 0 254.337 2.074 10 0 CEAERO OC1(C[NH2+]Cc2c[nH]c3ncccc23)CCCCC1 ZINC000091018889 180086749 /nfs/dbraw/zinc/08/67/49/180086749.db2.gz SNLCWOAXDHEYMB-UHFFFAOYSA-N 1 0 259.353 2.348 10 0 CEAERO CCN1CCC[C@@H]1C[NH2+]Cc1c[nH]c2ncccc12 ZINC000091016169 180086871 /nfs/dbraw/zinc/08/68/71/180086871.db2.gz VUEVBLUOEPUJSG-CYBMUJFWSA-N 1 0 258.369 2.137 10 0 CEAERO [NH3+]Cc1cn(C[C@H]2Cc3ccccc3O2)c2ncccc12 ZINC000091018859 180087008 /nfs/dbraw/zinc/08/70/08/180087008.db2.gz WDTUSHONIPBTJL-CQSZACIVSA-N 1 0 279.343 2.499 10 0 CEAERO FC(F)(F)COCC[NH2+]Cc1c[nH]c2ncccc12 ZINC000091018475 180087205 /nfs/dbraw/zinc/08/72/05/180087205.db2.gz GWUVYPMSHBHHFO-UHFFFAOYSA-N 1 0 273.258 2.231 10 0 CEAERO CCn1cccc1C[NH2+]C[C@H](c1ccco1)N(C)C ZINC000091022747 180088685 /nfs/dbraw/zinc/08/86/85/180088685.db2.gz MNUDHAOQLOYUFY-CQSZACIVSA-N 1 0 261.369 2.494 10 0 CEAERO CCCn1cccc1C[NH2+][C@@H](CC(C)C)C(=O)N(C)C ZINC000091023528 180088768 /nfs/dbraw/zinc/08/87/68/180088768.db2.gz AYYUZPCQSWLQQF-HNNXBMFYSA-N 1 0 279.428 2.491 10 0 CEAERO CCOC(=O)Cn1cc(C[NH2+]CC(C)C)c2cccnc21 ZINC000091021150 180088803 /nfs/dbraw/zinc/08/88/03/180088803.db2.gz OAELBNWCCVRCGU-UHFFFAOYSA-N 1 0 289.379 2.345 10 0 CEAERO CCn1cccc1C[NH2+][C@H]1CCCc2c1cnn2C ZINC000091024650 180089496 /nfs/dbraw/zinc/08/94/96/180089496.db2.gz LHUDOAFQOIFLQV-AWEZNQCLSA-N 1 0 258.369 2.409 10 0 CEAERO [NH3+]CCc1nc(C(=O)OC2CCCCC2)cs1 ZINC000090939565 180068264 /nfs/dbraw/zinc/06/82/64/180068264.db2.gz XZFSCPWVSZSMEW-UHFFFAOYSA-N 1 0 254.355 2.134 10 0 CEAERO Clc1ccc2[nH]c(C[C@@H]3CSCC[NH2+]3)nc2c1 ZINC000091128462 180100040 /nfs/dbraw/zinc/10/00/40/180100040.db2.gz ZRLYCJGGTBXHNZ-SECBINFHSA-N 1 0 267.785 2.464 10 0 CEAERO Cc1ccc2c(c1)nc(C[C@H]1CSCC[NH2+]1)n2C ZINC000091128501 180100439 /nfs/dbraw/zinc/10/04/39/180100439.db2.gz MDJGCAXPRULAIP-NSHDSACASA-N 1 0 261.394 2.129 10 0 CEAERO CCc1ccc([C@H](C)[NH2+]CCCS(=O)(=O)N(C)C)cc1 ZINC000104662546 186012437 /nfs/dbraw/zinc/01/24/37/186012437.db2.gz JTPCHVQOGVYGLB-ZDUSSCGKSA-N 1 0 298.452 2.181 10 0 CEAERO CCn1c(C)nnc1C[N@H+](C[C@@H](C)O)C1CCCCC1 ZINC000104684996 186014182 /nfs/dbraw/zinc/01/41/82/186014182.db2.gz FADZKAQYMGDXQM-GFCCVEGCSA-N 1 0 280.416 2.122 10 0 CEAERO CCCc1c(C[NH2+]C2CC2)cnn1-c1ccccn1 ZINC000091335654 180136281 /nfs/dbraw/zinc/13/62/81/180136281.db2.gz TZFGYNMBMGVFHP-UHFFFAOYSA-N 1 0 256.353 2.472 10 0 CEAERO COc1ccc([C@H](C[NH3+])S[C@H](C)CCO)cc1 ZINC000091262384 180116456 /nfs/dbraw/zinc/11/64/56/180116456.db2.gz ORJLWVWZOHHDLM-MFKMUULPSA-N 1 0 255.383 2.199 10 0 CEAERO CC[NH2+]Cc1c(S[C@H](C)CCO)nc2ccccn21 ZINC000091268230 180117007 /nfs/dbraw/zinc/11/70/07/180117007.db2.gz GLDAWJNBSWFOJN-LLVKDONJSA-N 1 0 279.409 2.307 10 0 CEAERO CC(C)N1C(=O)CCC[C@@H]([NH3+])[C@H]1c1cncn1C1CC1 ZINC000091275595 180119100 /nfs/dbraw/zinc/11/91/00/180119100.db2.gz VSSMVMGRYIVVJY-DOMZBBRYSA-N 1 0 276.384 2.007 10 0 CEAERO CN(C)c1cc[nH+]cc1NCc1cncn1C1CC1 ZINC000091274594 180119207 /nfs/dbraw/zinc/11/92/07/180119207.db2.gz XTCKIZVLWIRFIE-UHFFFAOYSA-N 1 0 257.341 2.291 10 0 CEAERO CN(c1ccc(F)cc1)[C@@H](C[NH3+])c1cncn1C1CC1 ZINC000091276469 180120147 /nfs/dbraw/zinc/12/01/47/180120147.db2.gz HSBGALVUTUHPHE-AWEZNQCLSA-N 1 0 274.343 2.493 10 0 CEAERO CCCCN([C@H](C[NH3+])c1cncn1C1CC1)C1CC1 ZINC000091276378 180120200 /nfs/dbraw/zinc/12/02/00/180120200.db2.gz NWEGNWNGNXLSAO-CQSZACIVSA-N 1 0 262.401 2.482 10 0 CEAERO CCC1CCN([C@H](C[NH3+])c2cncn2C2CC2)CC1 ZINC000091276336 180120306 /nfs/dbraw/zinc/12/03/06/180120306.db2.gz GCEJQFRTUNPCSJ-CQSZACIVSA-N 1 0 262.401 2.340 10 0 CEAERO COc1cccc(N(C)CC[C@@H]2CSCC[NH2+]2)c1 ZINC000091292215 180123782 /nfs/dbraw/zinc/12/37/82/180123782.db2.gz YNHFDGGZRKUABR-GFCCVEGCSA-N 1 0 266.410 2.227 10 0 CEAERO FC(F)(F)Cn1c(C[C@@H]2C[NH2+]CCO2)nc2ccccc21 ZINC000091293363 180124092 /nfs/dbraw/zinc/12/40/92/180124092.db2.gz VUQPRLJHDIHTQV-SNVBAGLBSA-N 1 0 299.296 2.130 10 0 CEAERO Clc1ccc2sc(C[C@H]3C[NH2+]CCO3)nc2c1 ZINC000091294571 180124644 /nfs/dbraw/zinc/12/46/44/180124644.db2.gz WCJMHIJPRVXALQ-VIFPVBQESA-N 1 0 268.769 2.481 10 0 CEAERO CNc1ccc(Cl)c(CN2CCC[C@H]([NH+](C)C)C2)n1 ZINC000091432867 180153635 /nfs/dbraw/zinc/15/36/35/180153635.db2.gz ONMNVYISERJRLM-NSHDSACASA-N 1 0 282.819 2.303 10 0 CEAERO CCNc1ncccc1CN1CCC[C@@H]([NH+](C)C)C1 ZINC000091432864 180153753 /nfs/dbraw/zinc/15/37/53/180153753.db2.gz FAMNRLQBGNGWPQ-CQSZACIVSA-N 1 0 262.401 2.039 10 0 CEAERO CCC[NH2+]Cc1cncc(O[C@@H](C)C(F)(F)F)n1 ZINC000091435607 180154478 /nfs/dbraw/zinc/15/44/78/180154478.db2.gz LRRYVZJIXIUUNY-QMMMGPOBSA-N 1 0 263.263 2.306 10 0 CEAERO CN(CC1CC(O)C1)[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000091451304 180158963 /nfs/dbraw/zinc/15/89/63/180158963.db2.gz FCEHXMPUVLEATH-DBRPNBKGSA-N 1 0 268.788 2.043 10 0 CEAERO C[NH2+]CC[C@@H]1CCCCN1C(=O)c1ccncc1Cl ZINC000091457069 180160428 /nfs/dbraw/zinc/16/04/28/180160428.db2.gz UWVMKVWXYMUBGP-NSHDSACASA-N 1 0 281.787 2.339 10 0 CEAERO C[N@H+](CC1CC(O)C1)[C@@H](CC(N)=S)c1ccccc1 ZINC000091461796 180161477 /nfs/dbraw/zinc/16/14/77/180161477.db2.gz QGTTYVZLAVJGIG-UBHUBRDASA-N 1 0 278.421 2.107 10 0 CEAERO CCCNc1ncccc1C[N@H+](C)CC1CC(O)C1 ZINC000091464420 180163013 /nfs/dbraw/zinc/16/30/13/180163013.db2.gz RJZVJKPDYOFMNL-UHFFFAOYSA-N 1 0 263.385 2.106 10 0 CEAERO COc1ccc(C[C@@H](O)C[NH2+]C(C)(C)C)cc1F ZINC000091465216 180163542 /nfs/dbraw/zinc/16/35/42/180163542.db2.gz VLSPMRMFTHHKNZ-LLVKDONJSA-N 1 0 255.333 2.126 10 0 CEAERO CC(C)[NH2+]CC[C@](C)(O)Cc1ccn(C(C)C)n1 ZINC000091465444 180163677 /nfs/dbraw/zinc/16/36/77/180163677.db2.gz LDENJZBNJBDGJP-AWEZNQCLSA-N 1 0 253.390 2.146 10 0 CEAERO CCC[NH2+]C[C@@H](O)Cc1ccc(OC(F)(F)F)cc1 ZINC000091467686 180164245 /nfs/dbraw/zinc/16/42/45/180164245.db2.gz ATKKRGBJKGUIBQ-NSHDSACASA-N 1 0 277.286 2.488 10 0 CEAERO CCC[NH2+]CC[C@](C)(O)Cc1nn(C)c2ccccc12 ZINC000091469641 180164704 /nfs/dbraw/zinc/16/47/04/180164704.db2.gz JTZPAHZVXUHDFN-INIZCTEOSA-N 1 0 275.396 2.257 10 0 CEAERO C[NH2+]CC[C@](C)(O)Cc1ccc(OC(F)(F)F)cc1 ZINC000091469309 180164954 /nfs/dbraw/zinc/16/49/54/180164954.db2.gz ZXRKLJHAAJSUKL-LBPRGKRZSA-N 1 0 277.286 2.488 10 0 CEAERO CN(CC1CC([NH3+])C1)C(=O)c1ccc2ccccc2c1O ZINC000091475679 180165870 /nfs/dbraw/zinc/16/58/70/180165870.db2.gz BUQWXQJFJJBKNB-UHFFFAOYSA-N 1 0 284.359 2.355 10 0 CEAERO Cc1nc2ccccc2nc1N(C)CC1CC([NH3+])C1 ZINC000091477145 180166064 /nfs/dbraw/zinc/16/60/64/180166064.db2.gz YPLKVENLBWQYGC-UHFFFAOYSA-N 1 0 256.353 2.112 10 0 CEAERO CC1(C)C(C(=O)N[C@@H]2CCCCC[C@@H]2[NH3+])C1(C)C ZINC000091492716 180170636 /nfs/dbraw/zinc/17/06/36/180170636.db2.gz FLXMGMCLXBJFMM-WDEREUQCSA-N 1 0 252.402 2.445 10 0 CEAERO CCC[NH2+][C@@H](Cc1ncccc1C)C(C)(C)S(C)(=O)=O ZINC000091384874 180143976 /nfs/dbraw/zinc/14/39/76/180143976.db2.gz UGQJPMPBJFFECS-AWEZNQCLSA-N 1 0 298.452 2.124 10 0 CEAERO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCc1nnc[nH]1 ZINC000091377361 180144201 /nfs/dbraw/zinc/14/42/01/180144201.db2.gz PBRYXOFBVZMQAR-JTQLQIEISA-N 1 0 264.760 2.221 10 0 CEAERO C[NH+](C)[C@H]1CCCN(CC(=O)c2ccc(F)c(F)c2)C1 ZINC000091392380 180144734 /nfs/dbraw/zinc/14/47/34/180144734.db2.gz BRTPUQJPTRYRMY-LBPRGKRZSA-N 1 0 282.334 2.174 10 0 CEAERO CC(C)n1c(=S)[nH]nc1N1CCC[C@H]([NH+](C)C)C1 ZINC000091392143 180144894 /nfs/dbraw/zinc/14/48/94/180144894.db2.gz OXKSQEBKHLLTMH-JTQLQIEISA-N 1 0 269.418 2.052 10 0 CEAERO CC(C)Cc1ccc([C@H](C)NC(=O)C2C[NH2+]C2)cc1 ZINC000091395850 180146273 /nfs/dbraw/zinc/14/62/73/180146273.db2.gz GNEZZAOPNURQMI-LBPRGKRZSA-N 1 0 260.381 2.282 10 0 CEAERO O=C(Nc1ccc(F)c(C(F)(F)F)c1)C1C[NH2+]C1 ZINC000091409312 180148238 /nfs/dbraw/zinc/14/82/38/180148238.db2.gz CISDMZFTDUJOFR-UHFFFAOYSA-N 1 0 262.206 2.002 10 0 CEAERO O=C(N[C@@H](c1cccs1)c1ccc(F)cc1)C1C[NH2+]C1 ZINC000091415312 180149628 /nfs/dbraw/zinc/14/96/28/180149628.db2.gz HTTBUDKHZQUUIN-CQSZACIVSA-N 1 0 290.363 2.312 10 0 CEAERO C[C@@H]([NH2+]C1CC(O)C1)c1ccccc1OC(F)F ZINC000091416289 180149728 /nfs/dbraw/zinc/14/97/28/180149728.db2.gz VBHGJLRJGKHWQW-XNWIYYODSA-N 1 0 257.280 2.462 10 0 CEAERO CCN(c1ccc(F)cc1)c1cncc(C[NH2+]C)n1 ZINC000091420020 180150882 /nfs/dbraw/zinc/15/08/82/180150882.db2.gz XXAFKXVHMXIWKD-UHFFFAOYSA-N 1 0 260.316 2.493 10 0 CEAERO Cc1nn(-c2cncc(C[NH2+]C3CC3)n2)c(C)c1Cl ZINC000091422264 180151315 /nfs/dbraw/zinc/15/13/15/180151315.db2.gz RPNJOYQRJCNQBC-UHFFFAOYSA-N 1 0 277.759 2.185 10 0 CEAERO CCc1c(C)nn(-c2cncc(C[NH2+]C3CC3)n2)c1C ZINC000091422450 180151342 /nfs/dbraw/zinc/15/13/42/180151342.db2.gz UYXAGJKNJWVMQL-UHFFFAOYSA-N 1 0 271.368 2.094 10 0 CEAERO C[C@H](NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1cccnc1 ZINC000105087728 186040657 /nfs/dbraw/zinc/04/06/57/186040657.db2.gz XQABPEMRGHKAPV-DZGCQCFKSA-N 1 0 288.395 2.022 10 0 CEAERO Cc1cccc(C[C@H](O)C(C)(C)[NH+]2CCOCC2)c1 ZINC000091565747 180193680 /nfs/dbraw/zinc/19/36/80/180193680.db2.gz LYVPGAUAYRWJIO-HNNXBMFYSA-N 1 0 263.381 2.009 10 0 CEAERO CC(C)([C@H](O)Cc1ccc(Cl)cc1)[NH+]1CCOCC1 ZINC000091565772 180193753 /nfs/dbraw/zinc/19/37/53/180193753.db2.gz RNXDIJOMMWGMHT-CQSZACIVSA-N 1 0 283.799 2.354 10 0 CEAERO CC(C)([C@@H]([NH3+])C[C@@H]1Cc2ccccc21)N1CCOCC1 ZINC000091566150 180193955 /nfs/dbraw/zinc/19/39/55/180193955.db2.gz VCRIUXQGHOWMSC-HOCLYGCPSA-N 1 0 274.408 2.155 10 0 CEAERO Cc1ccc(F)cc1[C@H]([NH3+])C(C)(C)N1CCOCC1 ZINC000091566341 180193983 /nfs/dbraw/zinc/19/39/83/180193983.db2.gz ONFZJNIWUHPVHO-AWEZNQCLSA-N 1 0 266.360 2.245 10 0 CEAERO Cc1ccc(F)c([C@H]([NH3+])C(C)(C)N2CCOCC2)c1 ZINC000091566317 180194156 /nfs/dbraw/zinc/19/41/56/180194156.db2.gz KLAKIUUUWFIALV-AWEZNQCLSA-N 1 0 266.360 2.245 10 0 CEAERO Cc1ccc([C@H]([NH3+])C(C)(C)N2CCOCC2)s1 ZINC000091566411 180194199 /nfs/dbraw/zinc/19/41/99/180194199.db2.gz CPRAXWAIHXZMAR-LBPRGKRZSA-N 1 0 254.399 2.167 10 0 CEAERO CC(C)([C@H]([NH3+])CCc1ccccc1)N1CCOCC1 ZINC000091566395 180194263 /nfs/dbraw/zinc/19/42/63/180194263.db2.gz KNVBXCVIAJVVQW-OAHLLOKOSA-N 1 0 262.397 2.057 10 0 CEAERO CC(C)([C@@H]([NH3+])c1ccccc1Cl)N1CCOCC1 ZINC000091566095 180194270 /nfs/dbraw/zinc/19/42/70/180194270.db2.gz SPLAWLBHKVCFSN-ZDUSSCGKSA-N 1 0 268.788 2.451 10 0 CEAERO CC[C@](C)(C(=O)Cc1ccn(C(C)C)n1)[NH+](C)C ZINC000091568791 180194741 /nfs/dbraw/zinc/19/47/41/180194741.db2.gz FFQVHSDQIZIXAK-CQSZACIVSA-N 1 0 251.374 2.306 10 0 CEAERO CCC[NH2+][C@@H](c1cncc(F)c1)C(C)(C)N1CCOCC1 ZINC000091567194 180194772 /nfs/dbraw/zinc/19/47/72/180194772.db2.gz VXOANBOYFYBGFA-HNNXBMFYSA-N 1 0 295.402 2.372 10 0 CEAERO CC[NH2+][C@@H](Cc1cccc(F)c1)C(C)(C)N1CCOCC1 ZINC000091566902 180194911 /nfs/dbraw/zinc/19/49/11/180194911.db2.gz MAHOCXCFZGVCMN-INIZCTEOSA-N 1 0 294.414 2.457 10 0 CEAERO CCC[NH2+][C@@H](CC[C@H]1CCCO1)C(C)(C)N1CCOCC1 ZINC000091567118 180195085 /nfs/dbraw/zinc/19/50/85/180195085.db2.gz ROJUTYZNFORTPO-CVEARBPZSA-N 1 0 298.471 2.425 10 0 CEAERO CCc1cc(C[C@H](N)[C@](C)(CC)[NH+](C)C)n(CC)n1 ZINC000091569954 180195439 /nfs/dbraw/zinc/19/54/39/180195439.db2.gz CHTPPCDWADNLSN-GJZGRUSLSA-N 1 0 266.433 2.066 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@@H](N)Cc1cc(C)nn1C ZINC000091573886 180196263 /nfs/dbraw/zinc/19/62/63/180196263.db2.gz VUAACVKDOSMVQK-GJZGRUSLSA-N 1 0 266.433 2.109 10 0 CEAERO CC[NH2+][C@H](Cc1cc(CC)nn1C)[C@](C)(CC)N(C)C ZINC000091571375 180196302 /nfs/dbraw/zinc/19/63/02/180196302.db2.gz OFTOORVXQSAZHK-CVEARBPZSA-N 1 0 280.460 2.233 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@H](N)Cc1ncnn1CC(C)C ZINC000091573472 180196314 /nfs/dbraw/zinc/19/63/14/180196314.db2.gz OWEKZTIWOPPQIK-ZBFHGGJFSA-N 1 0 295.475 2.314 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@H](N)Cc1ccnc(N)c1 ZINC000091573553 180196335 /nfs/dbraw/zinc/19/63/35/180196335.db2.gz BYWUQAUKIVVUNS-UKRRQHHQSA-N 1 0 264.417 2.044 10 0 CEAERO CC[NH2+][C@H](Cc1ncnn1C(C)C)[C@@](C)(CC)N(C)C ZINC000091571645 180196394 /nfs/dbraw/zinc/19/63/94/180196394.db2.gz GBTNFQMHXPOMRV-UKRRQHHQSA-N 1 0 281.448 2.110 10 0 CEAERO CC[NH2+][C@@H](Cc1ncnn1C(C)C)[C@](C)(CC)N(C)C ZINC000091571646 180196612 /nfs/dbraw/zinc/19/66/12/180196612.db2.gz GBTNFQMHXPOMRV-ZFWWWQNUSA-N 1 0 281.448 2.110 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)C(=O)Cc1ncnn1C(C)C ZINC000091572563 180196668 /nfs/dbraw/zinc/19/66/68/180196668.db2.gz HBWXDNOPLHICAN-OAHLLOKOSA-N 1 0 280.416 2.481 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@@H](O)Cc1ccccn1 ZINC000091572759 180196716 /nfs/dbraw/zinc/19/67/16/180196716.db2.gz VQAYWQKMOQIEBK-LSDHHAIUSA-N 1 0 250.386 2.496 10 0 CEAERO CCCc1nn(C)c(NC2CC[NH+](CCC)CC2)c1N ZINC000091583728 180199715 /nfs/dbraw/zinc/19/97/15/180199715.db2.gz QWSGMXRGNDOQCC-UHFFFAOYSA-N 1 0 279.432 2.241 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@@H](NC)c1cccnc1N ZINC000091600084 180202642 /nfs/dbraw/zinc/20/26/42/180202642.db2.gz WXLFPZPCBZZRNZ-DZGCQCFKSA-N 1 0 264.417 2.435 10 0 CEAERO CC[C@@](C)([C@H](O)CC1CCOCC1)[NH+]1CCCC1 ZINC000091603458 180203623 /nfs/dbraw/zinc/20/36/23/180203623.db2.gz JTSCQAONHADFHV-CABCVRRESA-N 1 0 255.402 2.429 10 0 CEAERO CCn1ccnc1[C@H](N)[C@](C)(CC)[NH+]1CCCC1 ZINC000091605578 180204264 /nfs/dbraw/zinc/20/42/64/180204264.db2.gz PMIFCTIWKNGWRY-JSGCOSHPSA-N 1 0 250.390 2.167 10 0 CEAERO CC[C@@](C)([C@H](O)Cc1ccccc1OC)[NH+]1CCOCC1 ZINC000091611345 180206174 /nfs/dbraw/zinc/20/61/74/180206174.db2.gz LOGCFUXMFIKLIY-SJORKVTESA-N 1 0 293.407 2.100 10 0 CEAERO CC[C@](C)([C@@H]([NH3+])Cc1cccs1)N1CCOCC1 ZINC000091611872 180206601 /nfs/dbraw/zinc/20/66/01/180206601.db2.gz INJYNVWXKKNHSA-UONOGXRCSA-N 1 0 268.426 2.119 10 0 CEAERO CC[C@@](C)([C@H]([NH3+])c1cccc(OC)c1)N1CCOCC1 ZINC000091611689 180206604 /nfs/dbraw/zinc/20/66/04/180206604.db2.gz JKLUNDRWURJEKC-CVEARBPZSA-N 1 0 278.396 2.196 10 0 CEAERO CC[C@@](C)([C@H]([NH3+])Cc1cccc(OC)c1)N1CCOCC1 ZINC000091612029 180206955 /nfs/dbraw/zinc/20/69/55/180206955.db2.gz KPRPNJFAFLYZBS-SJORKVTESA-N 1 0 292.423 2.066 10 0 CEAERO CC[C@](C)([C@H](CC[C@@H]1CCCO1)[NH2+]C)N1CCOCC1 ZINC000091612420 180207351 /nfs/dbraw/zinc/20/73/51/180207351.db2.gz IRDMLHZKYZQGIB-HRCADAONSA-N 1 0 284.444 2.035 10 0 CEAERO CCC(CC)([C@H](Cc1ncnn1C(C)C)[NH2+]C)N(C)C ZINC000091614597 180207800 /nfs/dbraw/zinc/20/78/00/180207800.db2.gz NPEFBVBISKNWKA-ZDUSSCGKSA-N 1 0 281.448 2.110 10 0 CEAERO CCC(CC)([C@@H]([NH2+]C)c1cc(C)cnc1N)N(C)C ZINC000091614313 180208013 /nfs/dbraw/zinc/20/80/13/180208013.db2.gz WBRQROSRYMYEAN-ZDUSSCGKSA-N 1 0 264.417 2.353 10 0 CEAERO CCCn1cc([C@H](O)C(CC)(CC)[NH+](C)C)cn1 ZINC000091613747 180208021 /nfs/dbraw/zinc/20/80/21/180208021.db2.gz BFTMPYCCHWNXQV-ZDUSSCGKSA-N 1 0 253.390 2.447 10 0 CEAERO CCn1ncnc1C[C@@H](O)C(CC)(CC)[NH+](CC)CC ZINC000091615459 180208112 /nfs/dbraw/zinc/20/81/12/180208112.db2.gz TZGBCZCYRDMXIM-CYBMUJFWSA-N 1 0 282.432 2.102 10 0 CEAERO CC(C)C[NH2+]CC[C@](C)(O)[C@@H]1Cc2ccccc2N1 ZINC000091520620 180178051 /nfs/dbraw/zinc/17/80/51/180178051.db2.gz SZFLXARZYCPWLF-HOTGVXAUSA-N 1 0 262.397 2.410 10 0 CEAERO CC(C)C[NH2+]CC[C@@](C)(O)c1cc(Cl)cnc1N ZINC000091523441 180178141 /nfs/dbraw/zinc/17/81/41/180178141.db2.gz MNSJFBXRYKRXJM-CYBMUJFWSA-N 1 0 271.792 2.160 10 0 CEAERO OC1CC(C[NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000091524463 180178257 /nfs/dbraw/zinc/17/82/57/180178257.db2.gz IRZBIRSGNRDBKK-UHFFFAOYSA-N 1 0 274.408 2.012 10 0 CEAERO OC1CC(C[NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000091538547 180182850 /nfs/dbraw/zinc/18/28/50/180182850.db2.gz UGAKPPTUZSDJNJ-UHFFFAOYSA-N 1 0 288.435 2.054 10 0 CEAERO CC(C)n1ncc2cc(NC(=O)[C@H]3CC[C@H]([NH3+])C3)cnc21 ZINC000091542445 180184675 /nfs/dbraw/zinc/18/46/75/180184675.db2.gz WIHPSBLGGUUMNH-JQWIXIFHSA-N 1 0 287.367 2.078 10 0 CEAERO CCN(C(=O)[C@H]1CC[C@H]([NH3+])C1)c1ccccc1F ZINC000091543821 180184985 /nfs/dbraw/zinc/18/49/85/180184985.db2.gz TWHPQMVCSRHGAX-QWRGUYRKSA-N 1 0 250.317 2.306 10 0 CEAERO O=C1C[C@@H]([NH2+]C(C2CC2)C2CC2)C(=O)N1C1CCCCC1 ZINC000105044876 186038253 /nfs/dbraw/zinc/03/82/53/186038253.db2.gz KFPOMCGDHFKPOJ-CQSZACIVSA-N 1 0 290.407 2.225 10 0 CEAERO CCN(Cc1ccc(OC)c(F)c1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091546303 180186808 /nfs/dbraw/zinc/18/68/08/180186808.db2.gz HHUHWFOZIYSLBP-STQMWFEESA-N 1 0 294.370 2.310 10 0 CEAERO [NH3+][C@@H]1CC[C@H](C(=O)Nc2cc(F)c(F)cc2F)C1 ZINC000091546038 180186819 /nfs/dbraw/zinc/18/68/19/180186819.db2.gz CYKSKSSEGZDYPJ-NKWVEPMBSA-N 1 0 258.243 2.170 10 0 CEAERO CCN(Cc1ccc(OC)c(F)c1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091546305 180186884 /nfs/dbraw/zinc/18/68/84/180186884.db2.gz HHUHWFOZIYSLBP-QWHCGFSZSA-N 1 0 294.370 2.310 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](C(=O)Nc2ccc(N3CCCC3)cc2)C1 ZINC000091546252 180186956 /nfs/dbraw/zinc/18/69/56/180186956.db2.gz FOTWDJCNJICAPS-CHWSQXEVSA-N 1 0 273.380 2.353 10 0 CEAERO [NH3+][C@H]1CC[C@H](C(=O)Nc2cnc3ccccc3c2)C1 ZINC000091548033 180187550 /nfs/dbraw/zinc/18/75/50/180187550.db2.gz JBCSLQGSTOTOMR-RYUDHWBXSA-N 1 0 255.321 2.301 10 0 CEAERO COc1ccccc1CN(C(=O)[C@@H]1CC[C@H]([NH3+])C1)C1CC1 ZINC000091549002 180188294 /nfs/dbraw/zinc/18/82/94/180188294.db2.gz BQKPOQJCVZDZCO-OCCSQVGLSA-N 1 0 288.391 2.314 10 0 CEAERO C[NH+](C)C1([C@@H](O)c2ccc3c(c2)OCCO3)CCCC1 ZINC000091636679 180211136 /nfs/dbraw/zinc/21/11/36/180211136.db2.gz AAGHLHAKUACVAU-HNNXBMFYSA-N 1 0 277.364 2.366 10 0 CEAERO C[NH+](C)C1([C@@H](N)c2cc(Cl)cnc2N)CCCC1 ZINC000091637180 180211308 /nfs/dbraw/zinc/21/13/08/180211308.db2.gz IYAYFXXLRHGCRX-NSHDSACASA-N 1 0 268.792 2.191 10 0 CEAERO CCC[NH2+][C@@H](c1cncnc1)C1(N(C)C)CCCC1 ZINC000091638285 180212369 /nfs/dbraw/zinc/21/23/69/180212369.db2.gz VOZZGBXCUOYYMR-AWEZNQCLSA-N 1 0 262.401 2.392 10 0 CEAERO N[C@H](Cc1ccccn1)C1([NH+]2CCCC2)CCCC1 ZINC000091640512 180212878 /nfs/dbraw/zinc/21/28/78/180212878.db2.gz BQCZEAQVQZLEQX-OAHLLOKOSA-N 1 0 259.397 2.360 10 0 CEAERO CCN[C@H](c1nccn1C)C1([NH+]2CCCC2)CCCC1 ZINC000091641150 180213368 /nfs/dbraw/zinc/21/33/68/180213368.db2.gz WLUKRIQZROWZHG-CQSZACIVSA-N 1 0 276.428 2.479 10 0 CEAERO Nc1cc(C[C@H](N)C2([NH+]3CCCCC3)CCCC2)ccn1 ZINC000091641838 180213541 /nfs/dbraw/zinc/21/35/41/180213541.db2.gz XPFVFWJMNSEYIN-HNNXBMFYSA-N 1 0 288.439 2.332 10 0 CEAERO O[C@@H](Cc1ccsc1)C1([NH+]2CCOCC2)CCCC1 ZINC000091642672 180214231 /nfs/dbraw/zinc/21/42/31/180214231.db2.gz KVERLWWYPUTERQ-AWEZNQCLSA-N 1 0 281.421 2.297 10 0 CEAERO CCN[C@@H](c1nccn1C)C1([NH+](C)C)CCCCC1 ZINC000091647800 180215112 /nfs/dbraw/zinc/21/51/12/180215112.db2.gz SLTUBSXJAARSAI-ZDUSSCGKSA-N 1 0 264.417 2.335 10 0 CEAERO CCn1ccnc1[C@H](O)C1([NH+](C)C)CCC(C)CC1 ZINC000091648413 180215451 /nfs/dbraw/zinc/21/54/51/180215451.db2.gz HOFRXANALMVSEK-OWYJLGKBSA-N 1 0 265.401 2.447 10 0 CEAERO CCn1cc(C[C@H](O)C2([NH+](C)C)CCCCC2)cn1 ZINC000091646717 180215580 /nfs/dbraw/zinc/21/55/80/180215580.db2.gz PLJYUNMXLWHPJU-AWEZNQCLSA-N 1 0 265.401 2.071 10 0 CEAERO C[NH2+][C@@H](c1cccnc1N)C1(N(C)C)CCCCC1 ZINC000091647686 180215685 /nfs/dbraw/zinc/21/56/85/180215685.db2.gz ZSMDSZWGJUZOEB-ZDUSSCGKSA-N 1 0 262.401 2.189 10 0 CEAERO C[NH2+][C@@H](Cc1cccnc1N)C1(N(C)C)CCC(C)CC1 ZINC000091649134 180216510 /nfs/dbraw/zinc/21/65/10/180216510.db2.gz AFSVWOKWHZQNKY-GULBITTBSA-N 1 0 290.455 2.305 10 0 CEAERO Cn1ccnc1[C@H](O)C1([NH+](C)C)CCCCCC1 ZINC000091653966 180217451 /nfs/dbraw/zinc/21/74/51/180217451.db2.gz OGKVGZLWVTUAEJ-LBPRGKRZSA-N 1 0 251.374 2.108 10 0 CEAERO Cc1cnc(Cl)nc1OCC[NH+]1CCCCC1 ZINC000091657820 180218593 /nfs/dbraw/zinc/21/85/93/180218593.db2.gz DJINOHWTIGIOQF-UHFFFAOYSA-N 1 0 255.749 2.303 10 0 CEAERO Nc1ccc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(Cl)c1 ZINC000091662822 180220307 /nfs/dbraw/zinc/22/03/07/180220307.db2.gz FDIZFRBPEMNCNS-NEPJUHHUSA-N 1 0 281.787 2.197 10 0 CEAERO CN1CCO[C@H](C[NH2+]Cc2[nH]c3ccccc3c2Cl)C1 ZINC000091667686 180223282 /nfs/dbraw/zinc/22/32/82/180223282.db2.gz MWBDWOWDSGRWOX-LLVKDONJSA-N 1 0 293.798 2.242 10 0 CEAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1nc2ccccc2s1 ZINC000091667201 180223365 /nfs/dbraw/zinc/22/33/65/180223365.db2.gz MCJIVRPZALCXOO-NEPJUHHUSA-N 1 0 291.420 2.278 10 0 CEAERO CC(C)(C)c1nsc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000091673077 180223855 /nfs/dbraw/zinc/22/38/55/180223855.db2.gz AEOVGBWVZNXAIO-MNOVXSKESA-N 1 0 296.440 2.111 10 0 CEAERO CCCOc1ccc([C@H]([NH2+]C)[C@@H]2CN(C)CCO2)cc1 ZINC000091718034 180232757 /nfs/dbraw/zinc/23/27/57/180232757.db2.gz WEBDDILCZPWRAF-HOTGVXAUSA-N 1 0 278.396 2.067 10 0 CEAERO CC[NH2+][C@H](c1ccc(F)c(F)c1F)[C@@H]1CN(C)CCO1 ZINC000091718735 180233229 /nfs/dbraw/zinc/23/32/29/180233229.db2.gz MJXSFSZRHJUXHA-SMDDNHRTSA-N 1 0 288.313 2.085 10 0 CEAERO CC[NH2+][C@H](Cc1ccc(Cl)s1)[C@@H]1CN(C)CCO1 ZINC000091718539 180233358 /nfs/dbraw/zinc/23/33/58/180233358.db2.gz YZIJUCIQBJJIRB-NEPJUHHUSA-N 1 0 288.844 2.253 10 0 CEAERO CCC[NH2+][C@@H](c1ccc(OC)c(F)c1)[C@H]1CN(C)CCO1 ZINC000091719520 180234438 /nfs/dbraw/zinc/23/44/38/180234438.db2.gz HJCCAQZMLDZTMR-CVEARBPZSA-N 1 0 296.386 2.206 10 0 CEAERO CC[NH2+][C@H](c1ccc(F)cc1F)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721583 180237475 /nfs/dbraw/zinc/23/74/75/180237475.db2.gz NASLAQINNQSJFB-DAXOMENPSA-N 1 0 296.361 2.479 10 0 CEAERO CCCN(C(=O)c1ccc(CC)o1)C1CC[NH2+]CC1 ZINC000091762447 180247529 /nfs/dbraw/zinc/24/75/29/180247529.db2.gz JMYWTNROSGJAIA-UHFFFAOYSA-N 1 0 264.369 2.446 10 0 CEAERO CCc1ccc(C(=O)NC2CCC([NH2+]C)CC2)o1 ZINC000091759667 180247533 /nfs/dbraw/zinc/24/75/33/180247533.db2.gz CFOOPKZZTXYGNZ-UHFFFAOYSA-N 1 0 250.342 2.102 10 0 CEAERO C[NH2+][C@@H](C)c1cccn1Cc1nc2ccccc2c(=O)[nH]1 ZINC000091801205 180259395 /nfs/dbraw/zinc/25/93/95/180259395.db2.gz VXCGVRDIVKSIPG-NSHDSACASA-N 1 0 282.347 2.053 10 0 CEAERO COc1ccc(NC(=O)Cn2cccc2[C@@H](C)[NH3+])cc1 ZINC000091800085 180259399 /nfs/dbraw/zinc/25/93/99/180259399.db2.gz PTPQVHSREWTGON-LLVKDONJSA-N 1 0 273.336 2.155 10 0 CEAERO CC[NH2+][C@H](C)c1cccn1CC(=O)N(CC)C1CC1 ZINC000091802263 180258702 /nfs/dbraw/zinc/25/87/02/180258702.db2.gz DGDRMCARGMJTQU-GFCCVEGCSA-N 1 0 263.385 2.170 10 0 CEAERO C[NH2+][C@@H](C)c1cccn1CC(=O)Nc1cccc(OC)c1 ZINC000091800873 180259035 /nfs/dbraw/zinc/25/90/35/180259035.db2.gz BFQNTDBNANULMX-LBPRGKRZSA-N 1 0 287.363 2.416 10 0 CEAERO Cc1ccccc1NC(=O)Cn1cccc1[C@H](C)[NH3+] ZINC000091799978 180259292 /nfs/dbraw/zinc/25/92/92/180259292.db2.gz OGALJFWHPUEJGI-LBPRGKRZSA-N 1 0 257.337 2.455 10 0 CEAERO CCN(C(=O)[C@H](OC)c1ccccc1)C1CCC([NH3+])CC1 ZINC000091850425 180272491 /nfs/dbraw/zinc/27/24/91/180272491.db2.gz LVSSMUYQRVJNDE-UYSNPLJNSA-N 1 0 290.407 2.493 10 0 CEAERO CCCN(c1ccc(C(N)=O)cc1)C1CCC([NH3+])CC1 ZINC000091852743 180272697 /nfs/dbraw/zinc/27/26/97/180272697.db2.gz XBBJQWBIKBSZGO-UHFFFAOYSA-N 1 0 275.396 2.272 10 0 CEAERO Cc1ccc(NC(=O)Cn2ccc([C@@H](C)[NH3+])c2)cc1 ZINC000091803563 180259877 /nfs/dbraw/zinc/25/98/77/180259877.db2.gz OGKHUYMCIMXHSQ-GFCCVEGCSA-N 1 0 257.337 2.455 10 0 CEAERO CCC[NH2+][C@@H](C)c1cccn1CC(=O)N(CC)CC ZINC000091802443 180260149 /nfs/dbraw/zinc/26/01/49/180260149.db2.gz HHXGOWRXRYVQGW-ZDUSSCGKSA-N 1 0 265.401 2.417 10 0 CEAERO CC[C@@H]([NH3+])c1ccn(CC(=O)N2CCCCCC2)c1 ZINC000091816090 180261778 /nfs/dbraw/zinc/26/17/78/180261778.db2.gz LHGPKLORKKUZHD-CQSZACIVSA-N 1 0 263.385 2.301 10 0 CEAERO CCC[C@H]([NH2+]CC)c1ccn(C[C@H](C)C(N)=O)c1 ZINC000091822665 180263774 /nfs/dbraw/zinc/26/37/74/180263774.db2.gz JSJIWUDFPFCNMO-AAEUAGOBSA-N 1 0 251.374 2.060 10 0 CEAERO CCC[C@H]([NH2+]CC)c1ccn(CC(=O)NC(C)C)c1 ZINC000091822702 180263873 /nfs/dbraw/zinc/26/38/73/180263873.db2.gz PPHSKROUGYFDGZ-AWEZNQCLSA-N 1 0 265.401 2.463 10 0 CEAERO CCC[C@H]([NH2+]C)c1ccn(CC(=O)N(C)C(C)C)c1 ZINC000091822094 180264069 /nfs/dbraw/zinc/26/40/69/180264069.db2.gz OZPCPZBARQPMPT-AWEZNQCLSA-N 1 0 265.401 2.416 10 0 CEAERO CC[NH2+][C@@H](c1ccn(CC(=O)NC(C)C)c1)C(C)C ZINC000091827526 180265038 /nfs/dbraw/zinc/26/50/38/180265038.db2.gz DJQOEMYUSCXRFR-OAHLLOKOSA-N 1 0 265.401 2.319 10 0 CEAERO CC[NH2+][C@@H](c1ccn(CC(=O)NCC2CC2)c1)C(C)C ZINC000091828079 180265261 /nfs/dbraw/zinc/26/52/61/180265261.db2.gz SCGHOCRHPKYGPH-MRXNPFEDSA-N 1 0 277.412 2.321 10 0 CEAERO NC(=O)c1ccc(Cl)cc1NC1CCC([NH3+])CC1 ZINC000091843614 180268815 /nfs/dbraw/zinc/26/88/15/180268815.db2.gz PKGPITNWXFPBFL-UHFFFAOYSA-N 1 0 267.760 2.121 10 0 CEAERO CN(c1cnnc2ccccc21)C1CCC([NH3+])CC1 ZINC000091849528 180271514 /nfs/dbraw/zinc/27/15/14/180271514.db2.gz SEVZXAINAOLIAI-UHFFFAOYSA-N 1 0 256.353 2.336 10 0 CEAERO CCN(C(=O)c1ccc(C)cc1O)C1CCC([NH3+])CC1 ZINC000091850349 180271934 /nfs/dbraw/zinc/27/19/34/180271934.db2.gz ZWLHEXYOLWSTTJ-UHFFFAOYSA-N 1 0 276.380 2.433 10 0 CEAERO C[NH2+][C@@H]1COC[C@@H]1c1nc2ccc(F)cc2s1 ZINC000091939593 180289146 /nfs/dbraw/zinc/28/91/46/180289146.db2.gz HGKBDDCIYPPCOK-WCBMZHEXSA-N 1 0 252.314 2.137 10 0 CEAERO CC(C)c1ccc(NC(=O)CSC(N)=[NH2+])cc1 ZINC000105651062 186066673 /nfs/dbraw/zinc/06/66/73/186066673.db2.gz JJNFYSZNBHJRLX-UHFFFAOYSA-N 1 0 251.355 2.375 10 0 CEAERO CCCN(C(=O)N(C)C)[C@]1(C[NH3+])CCC[C@H](C)C1 ZINC000091960674 180292405 /nfs/dbraw/zinc/29/24/05/180292405.db2.gz DJWHZDSVLXUCNF-GXTWGEPZSA-N 1 0 255.406 2.288 10 0 CEAERO CCCN(C(=O)N1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000091969153 180294544 /nfs/dbraw/zinc/29/45/44/180294544.db2.gz FMHAJWUVSBLZFX-CYBMUJFWSA-N 1 0 253.390 2.056 10 0 CEAERO C[NH2+]C1CCC(NS(=O)(=O)c2cc(C)cc(C)c2)CC1 ZINC000091872492 180277866 /nfs/dbraw/zinc/27/78/66/180277866.db2.gz MIQOGYBJSMUHCT-UHFFFAOYSA-N 1 0 296.436 2.112 10 0 CEAERO CCC[C@@](O)(c1ccccc1)C1(C[NH3+])CCOCC1 ZINC000091906242 180283877 /nfs/dbraw/zinc/28/38/77/180283877.db2.gz ZRRXHWBYZWCIMN-MRXNPFEDSA-N 1 0 263.381 2.430 10 0 CEAERO [NH3+]C[C@]1([C@H](O)c2ccc(Cl)c(Cl)c2)CCOC1 ZINC000091909710 180284611 /nfs/dbraw/zinc/28/46/11/180284611.db2.gz OTKACEQAJOHBFA-VXGBXAGGSA-N 1 0 276.163 2.392 10 0 CEAERO CC[C@@](C)(C[NH3+])[C@H](O)c1cc(OC)cc(OC)c1 ZINC000091911705 180285137 /nfs/dbraw/zinc/28/51/37/180285137.db2.gz HUYFRZRMRIQJLW-KGLIPLIRSA-N 1 0 253.342 2.112 10 0 CEAERO [NH3+]CC1([C@@H](O)c2ccc3c(c2)OCCCO3)CCC1 ZINC000091912485 180285204 /nfs/dbraw/zinc/28/52/04/180285204.db2.gz QWXKSBRUXVEWRM-AWEZNQCLSA-N 1 0 263.337 2.010 10 0 CEAERO [NH3+]C[C@]1([C@H](O)[C@H]2CC=CCC2)COc2ccccc2C1 ZINC000091913909 180285248 /nfs/dbraw/zinc/28/52/48/180285248.db2.gz KDXQAOZWGLVGTJ-XKQJLSEDSA-N 1 0 273.376 2.284 10 0 CEAERO CC[C@](C)(C[NH3+])[C@H](O)c1ccc2c(c1)OCCCO2 ZINC000091912464 180285314 /nfs/dbraw/zinc/28/53/14/180285314.db2.gz BZYMNZBTCUQEMH-HUUCEWRRSA-N 1 0 265.353 2.256 10 0 CEAERO [NH3+]C[C@@]1([C@@H](O)c2cccc(Cl)c2Cl)CCOC1 ZINC000091910607 180285338 /nfs/dbraw/zinc/28/53/38/180285338.db2.gz FZCNHKSZIIVOOW-RYUDHWBXSA-N 1 0 276.163 2.392 10 0 CEAERO [NH3+]C[C@@]1([C@@H](O)Cc2ccccc2)CCc2ccccc21 ZINC000091914000 180286309 /nfs/dbraw/zinc/28/63/09/180286309.db2.gz LJXCZTYXKIRPTR-ROUUACIJSA-N 1 0 267.372 2.433 10 0 CEAERO CC1CCC(C[NH3+])([C@]2(O)CCOC(C)(C)C2)CC1 ZINC000091918999 180286629 /nfs/dbraw/zinc/28/66/29/180286629.db2.gz CBSDOOPFDSWUTG-ZALBZXLWSA-N 1 0 255.402 2.462 10 0 CEAERO CC1(C)C[C@@](O)([C@@]2(C[NH3+])CCc3ccccc3C2)CCO1 ZINC000091918960 180286680 /nfs/dbraw/zinc/28/66/80/180286680.db2.gz MJJRMLWQYVOPNM-ZWKOTPCHSA-N 1 0 289.419 2.441 10 0 CEAERO CC1(C)C[C@](O)([C@]2(C[NH3+])CCc3ccccc32)CCO1 ZINC000091918941 180286760 /nfs/dbraw/zinc/28/67/60/180286760.db2.gz OGXWQSYNUFISMS-IRXDYDNUSA-N 1 0 275.392 2.149 10 0 CEAERO Nc1cccc(SC[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000091927319 180287472 /nfs/dbraw/zinc/28/74/72/180287472.db2.gz MISGPGZCKSSUER-JKSUJKDBSA-N 1 0 288.416 2.292 10 0 CEAERO CCN1CCO[C@@H](COc2ccccc2[C@@H](C)[NH2+]C)C1 ZINC000092051125 180311775 /nfs/dbraw/zinc/31/17/75/180311775.db2.gz FVUIWURQVGYWNJ-ZIAGYGMSSA-N 1 0 278.396 2.067 10 0 CEAERO CCN1CCO[C@@H](COC2(C[NH3+])CCC(C)(C)CC2)C1 ZINC000092050582 180311888 /nfs/dbraw/zinc/31/18/88/180311888.db2.gz AMILAPMKLMRHCX-CQSZACIVSA-N 1 0 284.444 2.021 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H]2CCCCC[C@@H]2C)C1 ZINC000092053021 180313398 /nfs/dbraw/zinc/31/33/98/180313398.db2.gz PLJFZNAXPVELAI-RRFJBIMHSA-N 1 0 254.418 2.266 10 0 CEAERO CN(C(=O)N1CCCCCC1)c1cccc(C(N)=[NH2+])c1 ZINC000091971993 180295759 /nfs/dbraw/zinc/29/57/59/180295759.db2.gz NWPUOVPBHHTVAK-UHFFFAOYSA-N 1 0 274.368 2.403 10 0 CEAERO C[C@@H]1CCCN(C(=O)NCc2cccc(C[NH3+])c2)C1 ZINC000091972679 180296184 /nfs/dbraw/zinc/29/61/84/180296184.db2.gz PMVBCTALGLBZNS-GFCCVEGCSA-N 1 0 261.369 2.087 10 0 CEAERO C[C@@H]1CCCN(C(=O)N2CCC[C@@H]2C2CC[NH2+]CC2)C1 ZINC000091973202 180296458 /nfs/dbraw/zinc/29/64/58/180296458.db2.gz ABCGKHKVHUKCDY-UKRRQHHQSA-N 1 0 279.428 2.302 10 0 CEAERO C[NH2+]CC[C@H]1CCCCN1C(=O)N1CCC[C@H](C)C1 ZINC000091991299 180299931 /nfs/dbraw/zinc/29/99/31/180299931.db2.gz SNRXLYZUKZAEQH-UONOGXRCSA-N 1 0 267.417 2.302 10 0 CEAERO C[C@H]1CCCN(C(=O)N2CCC[C@@H]2CCC[NH3+])C1 ZINC000091993193 180300396 /nfs/dbraw/zinc/30/03/96/180300396.db2.gz BYOFQFAMPJRBIU-STQMWFEESA-N 1 0 253.390 2.042 10 0 CEAERO C[C@H]1CCCN(C(=O)Nc2ccc(F)c(C(N)=[NH2+])c2)C1 ZINC000091993395 180300469 /nfs/dbraw/zinc/30/04/69/180300469.db2.gz CXRPCNXOFVBRAW-VIFPVBQESA-N 1 0 278.331 2.374 10 0 CEAERO CC1CCN(C(=O)Nc2ccccc2OCC(N)=[NH2+])CC1 ZINC000091993385 180300508 /nfs/dbraw/zinc/30/05/08/180300508.db2.gz NFJWKXNOBDYJJM-UHFFFAOYSA-N 1 0 290.367 2.265 10 0 CEAERO CC1CCN(C(=O)Nc2ccc(CC(N)=[NH2+])cc2)CC1 ZINC000091993282 180300547 /nfs/dbraw/zinc/30/05/47/180300547.db2.gz MJYDBGZDWAULJP-UHFFFAOYSA-N 1 0 274.368 2.429 10 0 CEAERO C[C@H]1CCCN(C(=O)N(CC[NH3+])C2CCCCC2)C1 ZINC000091993148 180300552 /nfs/dbraw/zinc/30/05/52/180300552.db2.gz ZDKDDNQGUALMRF-ZDUSSCGKSA-N 1 0 267.417 2.432 10 0 CEAERO Cc1ccc(OC[C@@H]2Cc3cc(F)ccc3O2)c(C[NH3+])n1 ZINC000091994012 180301459 /nfs/dbraw/zinc/30/14/59/180301459.db2.gz MOBGNCDQOXJPMT-ZDUSSCGKSA-N 1 0 288.322 2.370 10 0 CEAERO CCC[NH2+]Cc1nc(C)ccc1O[C@@H](C)COC ZINC000091995108 180302486 /nfs/dbraw/zinc/30/24/86/180302486.db2.gz LSQUDXLMPZWIPU-LBPRGKRZSA-N 1 0 252.358 2.303 10 0 CEAERO CC[C@@H]1CN(Cc2nc(C)ccc2O)[C@@H](CC)C[NH2+]1 ZINC000091996178 180302533 /nfs/dbraw/zinc/30/25/33/180302533.db2.gz CDGPSDWMWFFEKO-OLZOCXBDSA-N 1 0 263.385 2.058 10 0 CEAERO CCNc1cc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)ccn1 ZINC000092002829 180304916 /nfs/dbraw/zinc/30/49/16/180304916.db2.gz IZRUGNHPHNSBFR-CABCVRRESA-N 1 0 274.412 2.182 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000092133529 180331163 /nfs/dbraw/zinc/33/11/63/180331163.db2.gz PRHDFSKFFNAGII-SWLSCSKDSA-N 1 0 272.348 2.341 10 0 CEAERO O[C@H](C[NH+]1CCC(Nc2cccnn2)CC1)c1ccccc1 ZINC000105805166 186072160 /nfs/dbraw/zinc/07/21/60/186072160.db2.gz UWLSZRCQCAVMFE-MRXNPFEDSA-N 1 0 298.390 2.087 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)Nc1cccc(-n2cccc2)c1 ZINC000092133779 180331769 /nfs/dbraw/zinc/33/17/69/180331769.db2.gz GVWNEUOBXMNBNP-LBPRGKRZSA-N 1 0 257.337 2.271 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)N1CCCCC[C@H]1c1cccn1C ZINC000092134207 180331993 /nfs/dbraw/zinc/33/19/93/180331993.db2.gz CMQQXFPEBJLIRJ-ZFWWWQNUSA-N 1 0 277.412 2.324 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)N(Cc1cccc(C)c1)C1CC1 ZINC000092134372 180332120 /nfs/dbraw/zinc/33/21/20/180332120.db2.gz FFFVOXNZGMRZGC-CYBMUJFWSA-N 1 0 260.381 2.342 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)N(Cc1cccc(C)c1)C1CC1 ZINC000092134371 180332222 /nfs/dbraw/zinc/33/22/22/180332222.db2.gz FFFVOXNZGMRZGC-ZDUSSCGKSA-N 1 0 260.381 2.342 10 0 CEAERO C[C@@H]1CN([C@@H](C[NH3+])c2ccc3c(c2)OCCO3)C[C@H]1C ZINC000092082628 180319793 /nfs/dbraw/zinc/31/97/93/180319793.db2.gz SBGQCUGCXACUNP-BZPMIXESSA-N 1 0 276.380 2.045 10 0 CEAERO CC(C)N[C@@](CO)(C[N@@H+]1C[C@H](C)[C@H](C)C1)c1ccccc1 ZINC000092090206 180322231 /nfs/dbraw/zinc/32/22/31/180322231.db2.gz FLOKBQPOUYDRNI-SOLBZPMBSA-N 1 0 290.451 2.460 10 0 CEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2C[C@@H](C)[C@H](C)C2)cc1 ZINC000092091415 180322535 /nfs/dbraw/zinc/32/25/35/180322535.db2.gz GSDVPBCXEJMUDI-CHWSQXEVSA-N 1 0 296.436 2.073 10 0 CEAERO CCC[NH2+][C@H](C)CCCCN1C(=O)[C@H](C)[C@H](C)C1=O ZINC000092093997 180323264 /nfs/dbraw/zinc/32/32/64/180323264.db2.gz FTVSFNCPTYNABJ-UPJWGTAASA-N 1 0 268.401 2.186 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)C1 ZINC000092201883 180342749 /nfs/dbraw/zinc/34/27/49/180342749.db2.gz UNLUHXOEFWJLSO-IAGOWNOFSA-N 1 0 284.403 2.371 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)Nc2ccc(OC(F)F)cc2)C1 ZINC000092201876 180342769 /nfs/dbraw/zinc/34/27/69/180342769.db2.gz NLHUOANNAHEINS-IUCAKERBSA-N 1 0 268.263 2.130 10 0 CEAERO CCC(=O)Nc1ccc(C)c(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)c1 ZINC000092202514 180342809 /nfs/dbraw/zinc/34/28/09/180342809.db2.gz ZDDMRNVQUMEDOM-NWDGAFQWSA-N 1 0 287.363 2.185 10 0 CEAERO Cc1ccc(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)c(Cl)c1 ZINC000092201817 180342913 /nfs/dbraw/zinc/34/29/13/180342913.db2.gz YVDWLNRIFAXBNM-ZJUUUORDSA-N 1 0 250.729 2.490 10 0 CEAERO C[C@H](Cc1cccc(Cl)c1)NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092203020 180343526 /nfs/dbraw/zinc/34/35/26/180343526.db2.gz BVWBNQAMWSOLPE-MPKXVKKWSA-N 1 0 278.783 2.291 10 0 CEAERO Cc1nc2ccc(NC(=O)[C@H]3C=C[C@H]([NH3+])C3)cc2s1 ZINC000092202670 180343532 /nfs/dbraw/zinc/34/35/32/180343532.db2.gz UTOSAXSFHLVRTG-UWVGGRQHSA-N 1 0 273.361 2.447 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)N2CCC(c3ccccc3)CC2)C1 ZINC000092204757 180343610 /nfs/dbraw/zinc/34/36/10/180343610.db2.gz TVAYJHAZJFYRHP-JKSUJKDBSA-N 1 0 270.376 2.296 10 0 CEAERO CN(Cc1ccc(OC(F)F)cc1)C(=O)[C@H]1C=C[C@H]([NH3+])C1 ZINC000092204387 180343716 /nfs/dbraw/zinc/34/37/16/180343716.db2.gz SGPXFFULVIOUAJ-RYUDHWBXSA-N 1 0 296.317 2.150 10 0 CEAERO C[C@H](NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1)c1c(F)cccc1F ZINC000092204089 180343750 /nfs/dbraw/zinc/34/37/50/180343750.db2.gz VTRUFCAZNXVORN-IVZWLZJFSA-N 1 0 266.291 2.045 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)N(Cc2ccc(F)cc2)C2CC2)C1 ZINC000092204615 180343837 /nfs/dbraw/zinc/34/38/37/180343837.db2.gz LYXXBVJFTVTQRS-JSGCOSHPSA-N 1 0 274.339 2.220 10 0 CEAERO CCCC1CCC(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)CC1 ZINC000092206957 180344284 /nfs/dbraw/zinc/34/42/84/180344284.db2.gz XBYDYJFRBYINKJ-YIFLHPOLSA-N 1 0 250.386 2.365 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)NCc2ccc(C(F)(F)F)cc2)C1 ZINC000092207427 180344328 /nfs/dbraw/zinc/34/43/28/180344328.db2.gz LVPWIGMJHXRTHD-JQWIXIFHSA-N 1 0 284.281 2.225 10 0 CEAERO CC(C)(C)[NH2+]Cc1cn(C[C@H]2COc3ccccc32)nn1 ZINC000092308055 180360148 /nfs/dbraw/zinc/36/01/48/180360148.db2.gz VPTLVVGGCCVNFZ-LBPRGKRZSA-N 1 0 286.379 2.342 10 0 CEAERO CC(C)C[C@@H]1C[NH2+]CCN1C[C@@H]1COc2ccccc21 ZINC000092307273 180360239 /nfs/dbraw/zinc/36/02/39/180360239.db2.gz MCFNCPQYKOGERJ-HUUCEWRRSA-N 1 0 274.408 2.483 10 0 CEAERO CSc1ccccc1C(=O)N1[C@H](C)C[NH2+]C[C@@H]1C ZINC000092232190 180348382 /nfs/dbraw/zinc/34/83/82/180348382.db2.gz QPQOBGGCZXAXKN-PHIMTYICSA-N 1 0 264.394 2.231 10 0 CEAERO C[C@@H](CN1CCOCC1)[NH2+]CCSc1ccccc1 ZINC000092243287 180351599 /nfs/dbraw/zinc/35/15/99/180351599.db2.gz LFINNVYPPQELIO-AWEZNQCLSA-N 1 0 280.437 2.089 10 0 CEAERO O=C(n1ccnc1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000092253038 180352802 /nfs/dbraw/zinc/35/28/02/180352802.db2.gz RZPHKKACKJCWFH-UHFFFAOYSA-N 1 0 290.392 2.121 10 0 CEAERO C[C@@H](C[NH2+]Cc1cnn(-c2ccccc2)c1)N1CCCC1 ZINC000092252971 180353108 /nfs/dbraw/zinc/35/31/08/180353108.db2.gz WDYXYZLMUYWMHS-HNNXBMFYSA-N 1 0 284.407 2.446 10 0 CEAERO CC[N@@H+](CC(N)=S)C[C@@H]1Cc2ccccc2S1 ZINC000092261053 180354435 /nfs/dbraw/zinc/35/44/35/180354435.db2.gz OSHAXICJWASDHO-NSHDSACASA-N 1 0 266.435 2.311 10 0 CEAERO CCOC(=O)CC[NH2+]C[C@@H]1CSc2ccccc21 ZINC000092275350 180356702 /nfs/dbraw/zinc/35/67/02/180356702.db2.gz SUBUHKQJMBIRRC-LLVKDONJSA-N 1 0 265.378 2.419 10 0 CEAERO C[C@@H](C[NH2+]C[C@@H]1CSc2ccccc21)N(C)C ZINC000092275330 180356792 /nfs/dbraw/zinc/35/67/92/180356792.db2.gz BUPLYWQZARQNCX-NWDGAFQWSA-N 1 0 250.411 2.416 10 0 CEAERO OCCC[C@H]1CCC[N@@H+]1Cc1ncccc1Cl ZINC000625133206 350411337 /nfs/dbraw/zinc/41/13/37/350411337.db2.gz KZYQABNEEIDHGM-LLVKDONJSA-N 1 0 254.761 2.472 10 0 CEAERO C[C@H](CN1CCCC1)[NH2+]C[C@H]1COc2ccccc21 ZINC000092300086 180358897 /nfs/dbraw/zinc/35/88/97/180358897.db2.gz BRTLVWNQDACFBJ-KGLIPLIRSA-N 1 0 260.381 2.237 10 0 CEAERO OCC1([NH2+]C[C@@H]2COc3ccccc32)CCCCC1 ZINC000092300754 180358973 /nfs/dbraw/zinc/35/89/73/180358973.db2.gz XPVLXNULOHAHPF-CYBMUJFWSA-N 1 0 261.365 2.447 10 0 CEAERO [NH3+][C@H]1C=C[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000092181100 180338482 /nfs/dbraw/zinc/33/84/82/180338482.db2.gz QWIWLOQUDSQVNS-CBAPKCEASA-N 1 0 268.242 2.119 10 0 CEAERO CCC[NH2+][C@H](CN1C(=O)C[C@H](C)C1=O)c1ccccc1 ZINC000105832458 186075852 /nfs/dbraw/zinc/07/58/52/186075852.db2.gz LSHTXSPEPQENTE-GXTWGEPZSA-N 1 0 274.364 2.122 10 0 CEAERO CCOCC[N@@H+]1CCN(Cc2nccn2C(C)C)C[C@@H]1C ZINC000105835621 186076587 /nfs/dbraw/zinc/07/65/87/186076587.db2.gz HHJIUZVREOIEDI-HNNXBMFYSA-N 1 0 294.443 2.007 10 0 CEAERO CCOCC[N@@H+]1CCN(Cc2cccnc2)C[C@H]1CC ZINC000105838232 186077328 /nfs/dbraw/zinc/07/73/28/186077328.db2.gz MOZBKFAFLPIQKB-MRXNPFEDSA-N 1 0 277.412 2.014 10 0 CEAERO CC(C)(C)[NH2+]CC(=O)NCCSc1ccccc1 ZINC000105854796 186078406 /nfs/dbraw/zinc/07/84/06/186078406.db2.gz IBIGFUBNLJCNGN-UHFFFAOYSA-N 1 0 266.410 2.283 10 0 CEAERO CCOC(=O)CC[N@H+](C)C[C@H]1COc2ccccc21 ZINC000092305686 180359987 /nfs/dbraw/zinc/35/99/87/180359987.db2.gz ZXXXUKMQMJUFIZ-LBPRGKRZSA-N 1 0 263.337 2.048 10 0 CEAERO OCC[N@H+](C[C@@H]1COc2ccccc21)C1CCCC1 ZINC000092305721 180360005 /nfs/dbraw/zinc/36/00/05/180360005.db2.gz UVNDOJXERHMRBO-CYBMUJFWSA-N 1 0 261.365 2.400 10 0 CEAERO COCCCCC[N@@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000105909393 186087073 /nfs/dbraw/zinc/08/70/73/186087073.db2.gz DQYYTBMYQZYXGC-UHFFFAOYSA-N 1 0 292.427 2.114 10 0 CEAERO CNc1cc(N2CCC[C@@H]2C[NH2+]C2CCCC2)ncn1 ZINC000105904850 186087109 /nfs/dbraw/zinc/08/71/09/186087109.db2.gz AIKLTPWEQIPAFR-CYBMUJFWSA-N 1 0 275.400 2.019 10 0 CEAERO CCOCC[N@@H+]1CCN(Cc2ccccn2)C[C@H]1CC ZINC000105914825 186089130 /nfs/dbraw/zinc/08/91/30/186089130.db2.gz WAGGBSUHNWDWOK-MRXNPFEDSA-N 1 0 277.412 2.014 10 0 CEAERO CCc1nc(C[C@H]2CCCO2)nc(CC)c1CC[NH2+]C ZINC000092318393 180361766 /nfs/dbraw/zinc/36/17/66/180361766.db2.gz JLWBVJMFRJUXTN-GFCCVEGCSA-N 1 0 277.412 2.085 10 0 CEAERO Cc1cnn([C@H]2CCC[N@H+](Cc3ccccn3)C2)c1 ZINC000105923379 186091597 /nfs/dbraw/zinc/09/15/97/186091597.db2.gz UGKXPVVSMSYCQC-HNNXBMFYSA-N 1 0 256.353 2.424 10 0 CEAERO C[NH+](C)C[C@@H]1CN(Cc2ccc(Cl)cc2)CCO1 ZINC000105925402 186091615 /nfs/dbraw/zinc/09/16/15/186091615.db2.gz VZCKEIGRNYIPFX-CQSZACIVSA-N 1 0 268.788 2.102 10 0 CEAERO CCn1cnnc1C1CC[NH+](CCOC(C)(C)C)CC1 ZINC000105928559 186091870 /nfs/dbraw/zinc/09/18/70/186091870.db2.gz HBALSPYWQTVQKO-UHFFFAOYSA-N 1 0 280.416 2.293 10 0 CEAERO CC[NH2+]C[C@@H](C)c1c(C)nn(-c2ccc(C)nn2)c1C ZINC000092322868 180362337 /nfs/dbraw/zinc/36/23/37/180362337.db2.gz UYMXLZLOLFTUEJ-SNVBAGLBSA-N 1 0 273.384 2.301 10 0 CEAERO CCCC1(C(=O)NCc2c(C)noc2C)CC[NH2+]CC1 ZINC000092330325 180363707 /nfs/dbraw/zinc/36/37/07/180363707.db2.gz HUMPTELINZVBPH-UHFFFAOYSA-N 1 0 279.384 2.078 10 0 CEAERO CCC1(C(=O)N[C@H](C)c2c(C)noc2C)CC[NH2+]CC1 ZINC000092329846 180363925 /nfs/dbraw/zinc/36/39/25/180363925.db2.gz FPAWQZFKBXUPGG-SNVBAGLBSA-N 1 0 279.384 2.248 10 0 CEAERO CC[C@H]1CN(Cc2ccccc2F)CC[N@@H+]1C[C@@H](C)O ZINC000106101654 186101248 /nfs/dbraw/zinc/10/12/48/186101248.db2.gz ITKZFDYNXQNGLH-HIFRSBDPSA-N 1 0 280.387 2.103 10 0 CEAERO Cc1noc(C)c1[C@H](C)[NH2+]C[C@H]1CN(C(C)C)CCO1 ZINC000092339363 180364903 /nfs/dbraw/zinc/36/49/03/180364903.db2.gz DJIOWXOUJKSXRO-FZMZJTMJSA-N 1 0 281.400 2.051 10 0 CEAERO CC[C@@H]1CN(Cc2ccc(C)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000106103896 186103015 /nfs/dbraw/zinc/10/30/15/186103015.db2.gz DFTFMLSVZMXXBJ-NVXWUHKLSA-N 1 0 276.424 2.272 10 0 CEAERO Cc1noc(C)c1[C@H](C)N1CCC[C@H]([NH2+]C2CC2)C1=O ZINC000092341993 180365569 /nfs/dbraw/zinc/36/55/69/180365569.db2.gz LTFUWBXQAPLTIS-GWCFXTLKSA-N 1 0 277.368 2.095 10 0 CEAERO Cc1noc(C)c1CN1C[C@H](C(C)C)[NH2+]C[C@@H]1C ZINC000092342605 180366120 /nfs/dbraw/zinc/36/61/20/180366120.db2.gz FXYZASJQQNSIBE-IINYFYTJSA-N 1 0 251.374 2.110 10 0 CEAERO CCN(Cc1cc(C)nc2ccccc12)C1C[NH2+]C1 ZINC000092346050 180366220 /nfs/dbraw/zinc/36/62/20/180366220.db2.gz IOIMUSLVQWDGSM-UHFFFAOYSA-N 1 0 255.365 2.337 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C2CC2)CN1Cc1c(C)noc1C ZINC000092342632 180366631 /nfs/dbraw/zinc/36/66/31/180366631.db2.gz GUQZKIJGOQBEJH-ZFWWWQNUSA-N 1 0 263.385 2.254 10 0 CEAERO Cc1cc(C[C@@H](C[NH3+])C(=O)NC(C)C)c2ccccc2n1 ZINC000092344564 180366767 /nfs/dbraw/zinc/36/67/67/180366767.db2.gz IXTZECXNZPKCAF-AWEZNQCLSA-N 1 0 285.391 2.185 10 0 CEAERO Cc1cc(NC(=O)[C@H](C[NH3+])c2ccccc2)ccn1 ZINC000092349313 180367190 /nfs/dbraw/zinc/36/71/90/180367190.db2.gz XJJDAJHRAPPACC-CQSZACIVSA-N 1 0 255.321 2.071 10 0 CEAERO Cc1cc(NC(=O)[C@@H](C[NH3+])c2ccccc2)ccn1 ZINC000092349311 180367284 /nfs/dbraw/zinc/36/72/84/180367284.db2.gz XJJDAJHRAPPACC-AWEZNQCLSA-N 1 0 255.321 2.071 10 0 CEAERO CCN(Cc1cccc(Cl)n1)C1CC[NH2+]CC1 ZINC000092366668 180369252 /nfs/dbraw/zinc/36/92/52/180369252.db2.gz YWRGFGUJSHCWEH-UHFFFAOYSA-N 1 0 253.777 2.309 10 0 CEAERO CCc1nc(-c2cc(C)ccn2)nc(CC)c1CC[NH3+] ZINC000092308340 180361033 /nfs/dbraw/zinc/36/10/33/180361033.db2.gz WZDOIWIILXMEKF-UHFFFAOYSA-N 1 0 270.380 2.473 10 0 CEAERO COCCC[N@H+](C)[C@@H]1CCc2ccc(OC)cc2[C@@H]1O ZINC000092387933 180374462 /nfs/dbraw/zinc/37/44/62/180374462.db2.gz UMWWJKCUTVWDJT-CVEARBPZSA-N 1 0 279.380 2.012 10 0 CEAERO COc1ccc2c(c1)[C@H](O)[C@H]([N@H+](C)C1CCOCC1)CC2 ZINC000092387812 180374711 /nfs/dbraw/zinc/37/47/11/180374711.db2.gz LRKAPIHJYXEKIM-SJORKVTESA-N 1 0 291.391 2.154 10 0 CEAERO CC[NH2+][C@H]1c2cc(OC)ccc2CC[C@H]1SCCO ZINC000092389479 180375131 /nfs/dbraw/zinc/37/51/31/180375131.db2.gz DGOUTAWUAXSPAC-CABCVRRESA-N 1 0 281.421 2.386 10 0 CEAERO C[C@H](NC(=O)[C@H](Cc1ccccc1)[NH+](C)C)C1CC1 ZINC000106429881 186117104 /nfs/dbraw/zinc/11/71/04/186117104.db2.gz QNICIYPLARGYKH-WFASDCNBSA-N 1 0 260.381 2.074 10 0 CEAERO CCCNc1cc[nH+]c(CN(CCOC)[C@@H](C)COC)c1 ZINC000092418743 180380759 /nfs/dbraw/zinc/38/07/59/180380759.db2.gz IVEIBFLAJMCKAA-AWEZNQCLSA-N 1 0 295.427 2.387 10 0 CEAERO CC1(C)[C@H]2C[NH2+]C[C@H]2CN1Cc1cc(Cl)ccn1 ZINC000092417406 180380875 /nfs/dbraw/zinc/38/08/75/180380875.db2.gz IZYNYOYNTWYKJS-GWCFXTLKSA-N 1 0 265.788 2.165 10 0 CEAERO OCCC[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccn1 ZINC000092416609 180381440 /nfs/dbraw/zinc/38/14/40/180381440.db2.gz GHGMCCQMEMMOJY-CYBMUJFWSA-N 1 0 254.761 2.472 10 0 CEAERO CC[C@H](C)[NH2+][C@@]1(C(N)=O)CCCc2ccc(OC)cc21 ZINC000092384984 180373573 /nfs/dbraw/zinc/37/35/73/180373573.db2.gz SGECSRPUEOOLJS-ZBEGNZNMSA-N 1 0 276.380 2.100 10 0 CEAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@@H](N1CCC(OC)CC1)CC2 ZINC000092385544 180373910 /nfs/dbraw/zinc/37/39/10/180373910.db2.gz XKPCZJAJYXJFLT-DLBZAZTESA-N 1 0 290.407 2.121 10 0 CEAERO Cc1cccc(CN2Cc3ccccc3C[C@@H]2C[NH3+])n1 ZINC000092429962 180384421 /nfs/dbraw/zinc/38/44/21/180384421.db2.gz ALLFZWRLPJMFOL-QGZVFWFLSA-N 1 0 267.376 2.276 10 0 CEAERO COc1ccc(-c2cn3c(n2)[C@@H](C)C[C@H]([NH3+])C3)cc1 ZINC000107827623 186193978 /nfs/dbraw/zinc/19/39/78/186193978.db2.gz NOXGJMYEZJTFPH-JQWIXIFHSA-N 1 0 257.337 2.393 10 0 CEAERO COc1ccc(OC)c(-c2cn3c(n2)[C@@H](C)C[C@@H]([NH3+])C3)c1 ZINC000107827777 186194542 /nfs/dbraw/zinc/19/45/42/186194542.db2.gz BSZZPJMMIAFKIA-WDEREUQCSA-N 1 0 287.363 2.402 10 0 CEAERO CC[C@H](C)C[NH2+][C@@H]1CC(=O)N(C2CCCCC2)C1=O ZINC000107863016 186195177 /nfs/dbraw/zinc/19/51/77/186195177.db2.gz CWROIKQKSPWXSQ-WCQYABFASA-N 1 0 266.385 2.082 10 0 CEAERO Cc1cccc(O)c1C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000625606843 350534970 /nfs/dbraw/zinc/53/49/70/350534970.db2.gz RMMCCIWCEBHTRH-CHWSQXEVSA-N 1 0 274.364 2.009 10 0 CEAERO CCC[C@H](C(=O)N[C@H](C)c1cccc(O)c1)[NH+](C)C ZINC000130625900 365975810 /nfs/dbraw/zinc/97/58/10/365975810.db2.gz USSXRKLKHRPWKJ-BXUZGUMPSA-N 1 0 264.369 2.300 10 0 CEAERO CCNC(=O)C[NH2+]Cc1c[nH]c2cc(Cl)ccc12 ZINC000108647302 186224956 /nfs/dbraw/zinc/22/49/56/186224956.db2.gz KTLQAUUOWYFEPU-UHFFFAOYSA-N 1 0 265.744 2.047 10 0 CEAERO CC[NH2+][C@@H](Cc1nc(-c2ccccn2)no1)C1CC1 ZINC000109497550 186256351 /nfs/dbraw/zinc/25/63/51/186256351.db2.gz QXJMJUBDUNHLRT-LBPRGKRZSA-N 1 0 258.325 2.062 10 0 CEAERO [NH3+][C@H]1CCCCC[C@H]1c1nc(Cc2ccccn2)no1 ZINC000109499487 186257446 /nfs/dbraw/zinc/25/74/46/186257446.db2.gz USSQLNRPKCLKDW-OLZOCXBDSA-N 1 0 272.352 2.430 10 0 CEAERO CC(C)[C@H]([NH3+])Cc1nc(Cc2ccc(F)cc2)no1 ZINC000109501367 186257854 /nfs/dbraw/zinc/25/78/54/186257854.db2.gz GHVCQGIEUNRESO-GFCCVEGCSA-N 1 0 263.316 2.325 10 0 CEAERO C[NH2+][C@@H]1CCC[C@H]1c1nc(Cc2csc(C)n2)no1 ZINC000109511440 186258101 /nfs/dbraw/zinc/25/81/01/186258101.db2.gz YGWMJHLCBJQVOI-GHMZBOCLSA-N 1 0 278.381 2.281 10 0 CEAERO Cc1csc(Cc2noc([C@H]3CCC[C@@H]3[NH3+])n2)n1 ZINC000109510907 186258196 /nfs/dbraw/zinc/25/81/96/186258196.db2.gz WYRLKOCELVUJRP-IUCAKERBSA-N 1 0 264.354 2.020 10 0 CEAERO CC[NH2+][C@H]1CCCC[C@H]1c1nc(-c2cnccn2)no1 ZINC000109507195 186258199 /nfs/dbraw/zinc/25/81/99/186258199.db2.gz RLRILKIIJCCQJP-MNOVXSKESA-N 1 0 273.340 2.162 10 0 CEAERO CC[C@H]([NH3+])Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000109520944 186258852 /nfs/dbraw/zinc/25/88/52/186258852.db2.gz PHDWIKSIAODVBM-ZETCQYMHSA-N 1 0 271.242 2.434 10 0 CEAERO NNc1[nH+]c(Cc2ccccn2)nc2c1CCCCC2 ZINC000109522248 186259180 /nfs/dbraw/zinc/25/91/80/186259180.db2.gz NTKHWFCJKPHPFG-UHFFFAOYSA-N 1 0 269.352 2.017 10 0 CEAERO C[NH2+][C@H](C)CCc1nc(Cc2ccc(OC)cc2)no1 ZINC000109520877 186259443 /nfs/dbraw/zinc/25/94/43/186259443.db2.gz NXLGNGYUUFMUBP-LLVKDONJSA-N 1 0 275.352 2.210 10 0 CEAERO Cc1cccc(C(=O)NCc2ccc(C[NH3+])cc2F)c1O ZINC000109540274 186260587 /nfs/dbraw/zinc/26/05/87/186260587.db2.gz WCYOBSZOMKKPNX-UHFFFAOYSA-N 1 0 288.322 2.228 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+][C@H]2CCCOC2)c1C ZINC000109546075 186262062 /nfs/dbraw/zinc/26/20/62/186262062.db2.gz SBDIPYXUQOYJHJ-GWCFXTLKSA-N 1 0 251.374 2.349 10 0 CEAERO COc1ccc(CN2CCC[NH2+]C[C@H](C)C2)c(OC)c1 ZINC000109555063 186263267 /nfs/dbraw/zinc/26/32/67/186263267.db2.gz CMFLEFUEEGXQAI-ZDUSSCGKSA-N 1 0 278.396 2.135 10 0 CEAERO C[C@H]([NH2+]CCc1nncn1C)c1ccc2c(c1)CCC2 ZINC000109421662 186251227 /nfs/dbraw/zinc/25/12/27/186251227.db2.gz DNHMUVYDPRHVOZ-LBPRGKRZSA-N 1 0 270.380 2.197 10 0 CEAERO CC(C)[C@H]([NH2+]CCc1nncn1C)c1ccccc1 ZINC000109422576 186251499 /nfs/dbraw/zinc/25/14/99/186251499.db2.gz JSQDQZLKMWROBE-HNNXBMFYSA-N 1 0 258.369 2.345 10 0 CEAERO Nc1cccc(F)c1C[N@H+](CCO)C1CCCC1 ZINC000109427579 186251643 /nfs/dbraw/zinc/25/16/43/186251643.db2.gz LXSGTJAVJLQPGS-UHFFFAOYSA-N 1 0 252.333 2.145 10 0 CEAERO Cn1cnnc1CC[NH2+]Cc1c(Cl)cccc1Cl ZINC000109421450 186251738 /nfs/dbraw/zinc/25/17/38/186251738.db2.gz QIEVTDNRZVPEAR-UHFFFAOYSA-N 1 0 285.178 2.454 10 0 CEAERO Cn1cnnc1CC[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000109422374 186252039 /nfs/dbraw/zinc/25/20/39/186252039.db2.gz VDAFYNDIAWEUJO-MGPQQGTHSA-N 1 0 262.401 2.306 10 0 CEAERO CSc1ccc([C@H](C)[NH2+]CCc2nncn2C)cc1 ZINC000109421388 186252124 /nfs/dbraw/zinc/25/21/24/186252124.db2.gz QZKATQHBYMCJOF-NSHDSACASA-N 1 0 276.409 2.430 10 0 CEAERO [NH3+]C[C@]1(N2CCC(Cc3ccccc3)CC2)CCOC1 ZINC000109431550 186252311 /nfs/dbraw/zinc/25/23/11/186252311.db2.gz FSFCFJVGRSOYAL-QGZVFWFLSA-N 1 0 274.408 2.059 10 0 CEAERO Cc1sc(CN2CC[NH2+]CC2)nc1-c1ccco1 ZINC000109432498 186252448 /nfs/dbraw/zinc/25/24/48/186252448.db2.gz LJLDIIMWWAKBDT-UHFFFAOYSA-N 1 0 263.366 2.117 10 0 CEAERO CCC[C@H](C[NH3+])N1CCN(C(=O)CC2CCCCC2)CC1 ZINC000109449269 186253036 /nfs/dbraw/zinc/25/30/36/186253036.db2.gz KYYRZTVYUORKFQ-MRXNPFEDSA-N 1 0 295.471 2.228 10 0 CEAERO CCCC[C@H](CC)C(=O)N1CCN(C(C)(C)C[NH3+])CC1 ZINC000109450143 186253219 /nfs/dbraw/zinc/25/32/19/186253219.db2.gz OFKIMSOUGITIIS-AWEZNQCLSA-N 1 0 283.460 2.084 10 0 CEAERO CCC[C@@H](C(N)=S)[NH+]1CCN(C(=O)CC(C)(C)C)CC1 ZINC000109463741 186253872 /nfs/dbraw/zinc/25/38/72/186253872.db2.gz HBMFXDKQFLDWGM-LBPRGKRZSA-N 1 0 299.484 2.022 10 0 CEAERO Cc1ccccc1-c1nc(C(C)(C)N2CC[NH2+]CC2)no1 ZINC000109475341 186254837 /nfs/dbraw/zinc/25/48/37/186254837.db2.gz UYLQUPVAXKRDTK-UHFFFAOYSA-N 1 0 286.379 2.185 10 0 CEAERO CC(C)(c1noc([C@H]2C[C@H]3CC[C@@H]2C3)n1)N1CC[NH2+]CC1 ZINC000109475483 186254848 /nfs/dbraw/zinc/25/48/48/186254848.db2.gz JWUKXYOMODFOQK-XQQFMLRXSA-N 1 0 290.411 2.114 10 0 CEAERO CCC[C@H](c1nc(C)c(CC)c(C)n1)N1CC[NH2+]CC1 ZINC000109476095 186255021 /nfs/dbraw/zinc/25/50/21/186255021.db2.gz JUVVOVYQPZJIRS-OAHLLOKOSA-N 1 0 276.428 2.402 10 0 CEAERO CCC[C@@H](C)CN1CC[NH+]([C@@H](CCC)C(N)=S)CC1 ZINC000109470176 186255031 /nfs/dbraw/zinc/25/50/31/186255031.db2.gz OGVBGBDRHLMJMA-KGLIPLIRSA-N 1 0 285.501 2.495 10 0 CEAERO Cc1ccsc1-c1nc(C(C)(C)N2CC[NH2+]CC2)no1 ZINC000109475389 186255354 /nfs/dbraw/zinc/25/53/54/186255354.db2.gz CQFRMLIIJLKLNW-UHFFFAOYSA-N 1 0 292.408 2.247 10 0 CEAERO CCC[NH2+]Cc1c(C)nn([C@@H](C)C(=O)OCC)c1C ZINC000110118788 186286349 /nfs/dbraw/zinc/28/63/49/186286349.db2.gz JQDPMJAYQSLXPL-LBPRGKRZSA-N 1 0 267.373 2.124 10 0 CEAERO O=C(c1ccc(O)cc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000110325677 186291750 /nfs/dbraw/zinc/29/17/50/186291750.db2.gz MQNCUMOZSFIMPV-CQSZACIVSA-N 1 0 274.364 2.093 10 0 CEAERO CC[C@@H]([NH3+])[C@H](O[C@@H]1CCOC1)c1ccc(OC)cc1 ZINC000110525805 186301330 /nfs/dbraw/zinc/30/13/30/186301330.db2.gz SXONPPFREXHFFP-RBSFLKMASA-N 1 0 265.353 2.279 10 0 CEAERO CC[C@@H]([NH3+])Cc1noc([C@H]2COc3ccccc3C2)n1 ZINC000110541031 186302643 /nfs/dbraw/zinc/30/26/43/186302643.db2.gz VXQANZJPFOWNOQ-VXGBXAGGSA-N 1 0 273.336 2.068 10 0 CEAERO Cc1cccnc1NC(=O)Cc1ccc(C[NH3+])cc1 ZINC000110611914 186305227 /nfs/dbraw/zinc/30/52/27/186305227.db2.gz FIFCYAKRPLCETE-UHFFFAOYSA-N 1 0 255.321 2.030 10 0 CEAERO CC1CCN(C(=O)CC2CCC(C[NH3+])CC2)CC1 ZINC000110617126 186305349 /nfs/dbraw/zinc/30/53/49/186305349.db2.gz ZCDIMXSSWNGIRJ-UHFFFAOYSA-N 1 0 252.402 2.400 10 0 CEAERO COc1cc2c(cc1F)[nH+]c(N)n2CC[C@H]1CCCO1 ZINC000110629932 186308160 /nfs/dbraw/zinc/30/81/60/186308160.db2.gz DDEGSNDCOHUEGB-SECBINFHSA-N 1 0 279.315 2.335 10 0 CEAERO CC[C@]1(C(=O)N2CCC[C@H](C)CC2)CCC[NH2+]C1 ZINC000110814928 186326079 /nfs/dbraw/zinc/32/60/79/186326079.db2.gz FFOAPJKAOIVRLR-ZFWWWQNUSA-N 1 0 252.402 2.415 10 0 CEAERO CCCN[C@H](CC[N@H+](C)CC1CCCC1)C(=O)OC ZINC000110841179 186328183 /nfs/dbraw/zinc/32/81/83/186328183.db2.gz GUCRQLPTEFBPBI-CQSZACIVSA-N 1 0 270.417 2.040 10 0 CEAERO COC(=O)[C@](C)(CC[N@H+](C)CC1CCCC1)NC(C)C ZINC000110840955 186328667 /nfs/dbraw/zinc/32/86/67/186328667.db2.gz GXBRDPLYSNYSMP-INIZCTEOSA-N 1 0 284.444 2.428 10 0 CEAERO CN(Cc1cc(Cl)cc2c1OCOC2)[C@@H]1CCC[NH2+]C1 ZINC000110930113 186333108 /nfs/dbraw/zinc/33/31/08/186333108.db2.gz FITAYDZWPMHKCS-CQSZACIVSA-N 1 0 296.798 2.390 10 0 CEAERO Cc1cc(C)c(NC(=O)CN(C)[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000110929831 186334024 /nfs/dbraw/zinc/33/40/24/186334024.db2.gz QSXCACHCEFRWHF-OAHLLOKOSA-N 1 0 289.423 2.234 10 0 CEAERO CCCN(C(=O)c1n[nH]c2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000110940579 186334289 /nfs/dbraw/zinc/33/42/89/186334289.db2.gz DIHPAOPGJAOFNY-GFCCVEGCSA-N 1 0 286.379 2.167 10 0 CEAERO CCCN(Cc1c(C)nn(C)c1C)[C@H]1CCC[NH2+]C1 ZINC000110938758 186334389 /nfs/dbraw/zinc/33/43/89/186334389.db2.gz VOXNDQDTVKLSSR-AWEZNQCLSA-N 1 0 264.417 2.001 10 0 CEAERO CCN(CC(=O)Nc1c(C)cccc1C)[C@H]1CCC[NH2+]C1 ZINC000110942992 186335211 /nfs/dbraw/zinc/33/52/11/186335211.db2.gz IWBOLQWUVFIFFP-HNNXBMFYSA-N 1 0 289.423 2.316 10 0 CEAERO CC(C)c1cc(-n2c(CC[NH3+])nc3ccccc32)ncn1 ZINC000110949105 186335492 /nfs/dbraw/zinc/33/54/92/186335492.db2.gz XSSVVUUJWGLCDJ-UHFFFAOYSA-N 1 0 281.363 2.440 10 0 CEAERO CCN(CC(=O)Nc1cc(C)ccc1C)[C@H]1CCC[NH2+]C1 ZINC000110943256 186335694 /nfs/dbraw/zinc/33/56/94/186335694.db2.gz JNZNDMMGPKXTLZ-HNNXBMFYSA-N 1 0 289.423 2.316 10 0 CEAERO C[NH2+][C@H](C)c1ccc(C)cc1O[C@@H](C)C(=O)NC1CC1 ZINC000110959579 186336370 /nfs/dbraw/zinc/33/63/70/186336370.db2.gz QEBRMDRPAMAKPK-NEPJUHHUSA-N 1 0 276.380 2.321 10 0 CEAERO C[NH2+][C@H](C)c1ccc(C)cc1OCc1nnc(C)n1C ZINC000110959344 186336716 /nfs/dbraw/zinc/33/67/16/186336716.db2.gz GRBWNCMLVJAFKS-LLVKDONJSA-N 1 0 274.368 2.291 10 0 CEAERO C[C@H]1CN(Cc2ccc(N)cc2Br)CC[N@@H+]1C ZINC000110701257 186314146 /nfs/dbraw/zinc/31/41/46/186314146.db2.gz WDPSLBKSQQSKDX-JTQLQIEISA-N 1 0 298.228 2.167 10 0 CEAERO CCOC(CCN1CC[NH+]([C@H](C)CC)CC1)OCC ZINC000110785928 186324524 /nfs/dbraw/zinc/32/45/24/186324524.db2.gz MDBYPYKYQOQTCO-CQSZACIVSA-N 1 0 272.433 2.192 10 0 CEAERO CCC[C@H]([NH3+])C(=O)Nc1sc(C)cc1C(=O)OCC ZINC000110777771 186324560 /nfs/dbraw/zinc/32/45/60/186324560.db2.gz ULBXGDVPEJOWQT-JTQLQIEISA-N 1 0 284.381 2.299 10 0 CEAERO CCC[NH2+]CCN(C)c1ncnc2sc(C)cc21 ZINC000110779798 186324639 /nfs/dbraw/zinc/32/46/39/186324639.db2.gz QUXPDDWLUCEYQA-UHFFFAOYSA-N 1 0 264.398 2.436 10 0 CEAERO CCOC1CCN([C@H](C[NH3+])c2cccc(F)c2F)CC1 ZINC000111039390 186346654 /nfs/dbraw/zinc/34/66/54/186346654.db2.gz COZOGKSYNGBLAV-CQSZACIVSA-N 1 0 284.350 2.466 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CNc1ccc(F)cc1C(N)=S ZINC000111029973 186347121 /nfs/dbraw/zinc/34/71/21/186347121.db2.gz IOVKIXHBJLCOBA-NSHDSACASA-N 1 0 281.400 2.356 10 0 CEAERO CN(Cc1ccncc1)[C@@H](C[NH3+])c1cccc(F)c1F ZINC000111039279 186347245 /nfs/dbraw/zinc/34/72/45/186347245.db2.gz FHEWQYWTECZDSW-AWEZNQCLSA-N 1 0 277.318 2.492 10 0 CEAERO C[N@H+](C[C@@H]1CCCOC1)[C@@H]1CCCCCC[C@@H]1N ZINC000111160423 186361639 /nfs/dbraw/zinc/36/16/39/186361639.db2.gz WXXCOMHDHPEGHS-SOUVJXGZSA-N 1 0 254.418 2.395 10 0 CEAERO COc1ccc([C@@H](N)C[N@H+](C)C[C@@H]2CCCOC2)cc1 ZINC000111160660 186362566 /nfs/dbraw/zinc/36/25/66/186362566.db2.gz PAGZSCVXGLDGGZ-BBRMVZONSA-N 1 0 278.396 2.053 10 0 CEAERO [NH3+]C1(C(=O)NC[C@@H]2C[C@H]3CC[C@@H]2C3)CCCCC1 ZINC000111087775 186351470 /nfs/dbraw/zinc/35/14/70/186351470.db2.gz NFAJEMFTMBVETO-XQQFMLRXSA-N 1 0 250.386 2.200 10 0 CEAERO CN(C[C@H]1C[C@H]2CC[C@@H]1C2)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000111089065 186351517 /nfs/dbraw/zinc/35/15/17/186351517.db2.gz OEFRJGKDQDXEPY-BYNSBNAKSA-N 1 0 264.413 2.271 10 0 CEAERO O=C(C[NH2+]C[C@H]1C[C@H]2CC[C@@H]1C2)NC1CCCC1 ZINC000111088329 186352026 /nfs/dbraw/zinc/35/20/26/186352026.db2.gz IXHYJFKYQLGHBU-YNEHKIRRSA-N 1 0 250.386 2.071 10 0 CEAERO NC(=O)c1ccc(C[NH2+]C[C@H]2C[C@H]3CC[C@@H]2C3)c(F)c1 ZINC000111087847 186352195 /nfs/dbraw/zinc/35/21/95/186352195.db2.gz WEPVECGONWNYJD-MISXGVKJSA-N 1 0 276.355 2.450 10 0 CEAERO CCCOCCO[C@H](C[NH2+]C)c1ccc(OC)cc1 ZINC000111107351 186352332 /nfs/dbraw/zinc/35/23/32/186352332.db2.gz ZWJRQRPHWIBVCW-OAHLLOKOSA-N 1 0 267.369 2.399 10 0 CEAERO CCOCCN(CC)[C@H](C[NH3+])c1ccccc1F ZINC000111116665 186353797 /nfs/dbraw/zinc/35/37/97/186353797.db2.gz QIDLWUIBIOFHOP-CQSZACIVSA-N 1 0 254.349 2.184 10 0 CEAERO CCOCC[N@H+](CC)[C@H]1CCc2cc(OC)ccc2[C@@H]1O ZINC000111121317 186354499 /nfs/dbraw/zinc/35/44/99/186354499.db2.gz XDUAPFVOELJADG-IRXDYDNUSA-N 1 0 293.407 2.402 10 0 CEAERO CCOCCN(CC)[C@H]1Cc2ccccc2[C@@H]1[NH2+]C ZINC000111118728 186355177 /nfs/dbraw/zinc/35/51/77/186355177.db2.gz CAJYEFRBXOCNAX-HOTGVXAUSA-N 1 0 262.397 2.230 10 0 CEAERO CCOCCN(CC)[C@H](C[NH3+])c1cc(F)ccc1F ZINC000111117727 186355225 /nfs/dbraw/zinc/35/52/25/186355225.db2.gz SVYXQWRCWIVZMF-CQSZACIVSA-N 1 0 272.339 2.323 10 0 CEAERO CCOc1cc(N(C)CCC[NH+](C)C)ccc1N ZINC000111132326 186355927 /nfs/dbraw/zinc/35/59/27/186355927.db2.gz ZEPKTLHDHRDYGE-UHFFFAOYSA-N 1 0 251.374 2.055 10 0 CEAERO CCCNc1c(F)cccc1C(=O)N(C)CC[NH+](C)C ZINC000111151590 186359828 /nfs/dbraw/zinc/35/98/28/186359828.db2.gz IXLNLFARSVQDIR-UHFFFAOYSA-N 1 0 281.375 2.281 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1ccsc1)N(C)C[C@@H]1CCCOC1 ZINC000111154965 186359948 /nfs/dbraw/zinc/35/99/48/186359948.db2.gz RLLVKXUCDXPRHV-OBJOEFQTSA-N 1 0 268.426 2.495 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1CCOc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000111186380 186367615 /nfs/dbraw/zinc/36/76/15/186367615.db2.gz OLWXUXIMVHQJDK-YUELXQCFSA-N 1 0 288.391 2.200 10 0 CEAERO C[C@H]([C@H](O)c1ccccc1)[N@H+](C)CC1CCOCC1 ZINC000111168854 186363737 /nfs/dbraw/zinc/36/37/37/186363737.db2.gz SMPLCFPMUHLGQX-CJNGLKHVSA-N 1 0 263.381 2.467 10 0 CEAERO C[NH2+][C@H](CN(C)CC1CCOCC1)c1cccc(OC)c1 ZINC000111161954 186364274 /nfs/dbraw/zinc/36/42/74/186364274.db2.gz XQHLPXDHIIAKBW-QGZVFWFLSA-N 1 0 292.423 2.314 10 0 CEAERO CCCC1(C(=O)N(C)C[C@@H]2CCCOC2)CC[NH2+]CC1 ZINC000111173584 186365110 /nfs/dbraw/zinc/36/51/10/186365110.db2.gz VUJKTGAJPSLVOR-AWEZNQCLSA-N 1 0 282.428 2.041 10 0 CEAERO C[C@H](C[NH2+]C1CCCC1)N(C)CC1CCOCC1 ZINC000111176865 186365244 /nfs/dbraw/zinc/36/52/44/186365244.db2.gz WYHQSJCPWXRYLG-CYBMUJFWSA-N 1 0 254.418 2.266 10 0 CEAERO C[N@H+](CC1CCOCC1)CC1(CO)CCCCC1 ZINC000111173487 186365365 /nfs/dbraw/zinc/36/53/65/186365365.db2.gz HQDQUHABWVSVPE-UHFFFAOYSA-N 1 0 255.402 2.288 10 0 CEAERO C[C@@H](C[NH2+]C1CCCC1)N(C)CC1CCOCC1 ZINC000111176862 186365512 /nfs/dbraw/zinc/36/55/12/186365512.db2.gz WYHQSJCPWXRYLG-ZDUSSCGKSA-N 1 0 254.418 2.266 10 0 CEAERO C[N@H+](CC1CCOCC1)C[C@@H]1NCCc2ccccc21 ZINC000111179334 186366335 /nfs/dbraw/zinc/36/63/35/186366335.db2.gz PILORXWAYXZZDO-KRWDZBQOSA-N 1 0 274.408 2.232 10 0 CEAERO CN(C)c1nnc(Sc2ccc(C(N)=[NH2+])cc2F)s1 ZINC000111315964 186395776 /nfs/dbraw/zinc/39/57/76/186395776.db2.gz SXCRYEZITIZHEO-UHFFFAOYSA-N 1 0 297.384 2.178 10 0 CEAERO CN(C)c1nnc(S[C@@H](C[NH3+])c2ccsc2)s1 ZINC000111315462 186396308 /nfs/dbraw/zinc/39/63/08/186396308.db2.gz HYPWOHQADPZZOF-QMMMGPOBSA-N 1 0 286.451 2.458 10 0 CEAERO CC(C)(C)[NH2+]C[C@]1(CN2CCSCC2)CCCOC1 ZINC000111324542 186399244 /nfs/dbraw/zinc/39/92/44/186399244.db2.gz UPMXFJRSOLBUHG-HNNXBMFYSA-N 1 0 286.485 2.220 10 0 CEAERO Cc1cccc(-c2noc([C@]3(C(F)(F)F)CC[NH2+]C3)n2)n1 ZINC000111241076 186374795 /nfs/dbraw/zinc/37/47/95/186374795.db2.gz OJCPVIAFOOZJCV-LBPRGKRZSA-N 1 0 298.268 2.233 10 0 CEAERO Cc1nnc([C@]2(C(F)(F)F)CC[NH2+]C2)n1-c1ccccc1 ZINC000111241398 186374880 /nfs/dbraw/zinc/37/48/80/186374880.db2.gz ROUNMUHVYSUSTP-ZDUSSCGKSA-N 1 0 296.296 2.369 10 0 CEAERO CC[C@H]1CCCCN1C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111243558 186375061 /nfs/dbraw/zinc/37/50/61/186375061.db2.gz JLZVPYYRDMYPAW-JQWIXIFHSA-N 1 0 278.318 2.320 10 0 CEAERO CCC[NH2+]Cc1cccnc1N(CC)CCOCC ZINC000111238916 186375233 /nfs/dbraw/zinc/37/52/33/186375233.db2.gz AIUXZYCDIXTXJY-UHFFFAOYSA-N 1 0 265.401 2.444 10 0 CEAERO FC(F)(F)[C@]1(c2nncn2-c2ccccc2)CC[NH2+]C1 ZINC000111241473 186375264 /nfs/dbraw/zinc/37/52/64/186375264.db2.gz LKAVHTYBCNRKHK-GFCCVEGCSA-N 1 0 282.269 2.061 10 0 CEAERO Cc1ccccc1Cc1noc([C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000111256559 186379084 /nfs/dbraw/zinc/37/90/84/186379084.db2.gz RRVLHZPIJKXGJR-DGCLKSJQSA-N 1 0 257.337 2.292 10 0 CEAERO COc1ccc(-c2noc([C@@H]3C[NH2+]C[C@@H]3C)n2)cc1OC ZINC000111256450 186379117 /nfs/dbraw/zinc/37/91/17/186379117.db2.gz ATLGOHMKGDOQPJ-GXSJLCMTSA-N 1 0 289.335 2.077 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1c1nc(Cc2ccc(F)cc2)no1 ZINC000111256331 186379692 /nfs/dbraw/zinc/37/96/92/186379692.db2.gz TYZVGDQGKJSIDR-BXKDBHETSA-N 1 0 261.300 2.122 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc2ncccc21 ZINC000111263007 186380394 /nfs/dbraw/zinc/38/03/94/186380394.db2.gz SSWYEZXSTRQOMM-ZYHUDNBSSA-N 1 0 255.321 2.029 10 0 CEAERO COc1ccc2nc(NC(=O)[C@H]3C[NH2+]C[C@@H]3C)sc2c1 ZINC000111263243 186380727 /nfs/dbraw/zinc/38/07/27/186380727.db2.gz FYNTUQQOXJEMLR-WPRPVWTQSA-N 1 0 291.376 2.099 10 0 CEAERO CCCN(Cc1ccccc1)C(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000111264140 186381593 /nfs/dbraw/zinc/38/15/93/186381593.db2.gz AKUDFUXUVQZBFJ-DZGCQCFKSA-N 1 0 260.381 2.281 10 0 CEAERO CCN(CC)c1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000111264951 186381612 /nfs/dbraw/zinc/38/16/12/186381612.db2.gz OPTBXMFEIPSYFX-IUODEOHRSA-N 1 0 275.396 2.327 10 0 CEAERO CC[C@H](NC(=O)[C@@H]1C[NH2+]C[C@@H]1C)c1ccccc1OC ZINC000111265599 186381736 /nfs/dbraw/zinc/38/17/36/186381736.db2.gz BFCAHKMBQMCLKZ-YUTCNCBUSA-N 1 0 276.380 2.118 10 0 CEAERO CCOC(=O)Nc1ccc(NC(=O)[C@H]2C[NH2+]C[C@H]2C)cc1 ZINC000111265757 186382137 /nfs/dbraw/zinc/38/21/37/186382137.db2.gz YKOYUGOUHULCSP-MFKMUULPSA-N 1 0 291.351 2.049 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N(Cc1ccccc1)C1CC1 ZINC000111264073 186382239 /nfs/dbraw/zinc/38/22/39/186382239.db2.gz PVAOKIODJQKYKP-DOMZBBRYSA-N 1 0 258.365 2.033 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@@H]2C[NH2+]C[C@@H]2C)c(C)c1 ZINC000111267417 186382915 /nfs/dbraw/zinc/38/29/15/186382915.db2.gz JJMZPVBZBFRCTL-KCQAQPDRSA-N 1 0 260.381 2.336 10 0 CEAERO COc1cc(Cl)c(NC(=O)[C@@H]2C[NH2+]C[C@@H]2C)cc1OC ZINC000111265882 186383004 /nfs/dbraw/zinc/38/30/04/186383004.db2.gz JSGZIWPMJGZVKU-DTWKUNHWSA-N 1 0 298.770 2.151 10 0 CEAERO COc1ccccc1CN(C(=O)[C@H]1C[NH2+]C[C@H]1C)C1CC1 ZINC000111269303 186384293 /nfs/dbraw/zinc/38/42/93/186384293.db2.gz XNOFFSYHEWHLGP-DOMZBBRYSA-N 1 0 288.391 2.042 10 0 CEAERO CCN(C(=O)[C@H]1C[NH2+]C[C@H]1C)c1ccc(F)cc1 ZINC000111272250 186385303 /nfs/dbraw/zinc/38/53/03/186385303.db2.gz BIXITSWDNWWOHD-MFKMUULPSA-N 1 0 250.317 2.034 10 0 CEAERO COc1ccc(C)cc1NC(=O)c1ccc(C[NH3+])cn1 ZINC000111281280 186388605 /nfs/dbraw/zinc/38/86/05/186388605.db2.gz WVTHKEJBRNCETC-UHFFFAOYSA-N 1 0 271.320 2.110 10 0 CEAERO Cc1ccccc1[C@@H](C)NC(=O)c1ccc(C[NH3+])cn1 ZINC000111281849 186388787 /nfs/dbraw/zinc/38/87/87/186388787.db2.gz BFVXEHMWAZOGFJ-GFCCVEGCSA-N 1 0 269.348 2.340 10 0 CEAERO [NH3+]Cc1ccc(C(=O)N[C@H]2CCCc3ccccc32)nc1 ZINC000111282285 186388980 /nfs/dbraw/zinc/38/89/80/186388980.db2.gz CNKVEDDVCADDIJ-HNNXBMFYSA-N 1 0 281.359 2.348 10 0 CEAERO Cc1c(Cl)ncnc1OCC[C@H]1CCC[N@H+]1C ZINC000111294104 186391728 /nfs/dbraw/zinc/39/17/28/186391728.db2.gz CCKKGSSXHUILQG-SNVBAGLBSA-N 1 0 255.749 2.302 10 0 CEAERO CC[N@@H+]1CC[C@@H](CNc2ncnc(Cl)c2C)C1 ZINC000111296629 186392265 /nfs/dbraw/zinc/39/22/65/186392265.db2.gz QBJSULLSIMPITE-JTQLQIEISA-N 1 0 254.765 2.192 10 0 CEAERO CN(C[C@@H]1CCCOC1)c1ccc(F)cc1CC[NH3+] ZINC000111481546 186422621 /nfs/dbraw/zinc/42/26/21/186422621.db2.gz IGZSDDPLCSYKPZ-LBPRGKRZSA-N 1 0 266.360 2.190 10 0 CEAERO Cc1nc(C)n(-c2nc3ccccc3cc2C[C@@H](C)[NH3+])n1 ZINC000111514767 186426090 /nfs/dbraw/zinc/42/60/90/186426090.db2.gz ZUYKBSGLKMWTNJ-SNVBAGLBSA-N 1 0 281.363 2.322 10 0 CEAERO Cn1nnnc1Sc1ccccc1C[NH2+]C(C)(C)C ZINC000111555212 186427689 /nfs/dbraw/zinc/42/76/89/186427689.db2.gz CXJMVYFHWZYOPC-UHFFFAOYSA-N 1 0 277.397 2.249 10 0 CEAERO CCC[NH2+]C[C@@H]1CCCCN1Cc1cc(C)no1 ZINC000111702040 186445907 /nfs/dbraw/zinc/44/59/07/186445907.db2.gz JYHUVWJOSTVKMA-ZDUSSCGKSA-N 1 0 251.374 2.337 10 0 CEAERO CCCC[C@H](COC)[NH2+][C@@H](C)c1nnc2n1CCCC2 ZINC000131024136 366013390 /nfs/dbraw/zinc/01/33/90/366013390.db2.gz BIDGRZKGGSXNMT-QWHCGFSZSA-N 1 0 280.416 2.470 10 0 CEAERO COc1cccc(CC(=O)N[C@@H](C[NH3+])c2ccccc2)c1 ZINC000111364923 186405978 /nfs/dbraw/zinc/40/59/78/186405978.db2.gz ZPIIEWSYOYKRBA-INIZCTEOSA-N 1 0 284.359 2.054 10 0 CEAERO Cc1cc(C)c(C(N)=O)c(Nc2ccc(CC[NH3+])cc2)n1 ZINC000111375872 186409962 /nfs/dbraw/zinc/40/99/62/186409962.db2.gz OTXFYDQJAHDLQR-UHFFFAOYSA-N 1 0 284.363 2.042 10 0 CEAERO Cc1ncc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)o1 ZINC000628181552 350992967 /nfs/dbraw/zinc/99/29/67/350992967.db2.gz HKVSETTUMHNNTM-OCCSQVGLSA-N 1 0 250.342 2.110 10 0 CEAERO [NH3+]C1CCN(c2cc(-c3cc(F)cc(F)c3)[nH]n2)CC1 ZINC000070460108 363086856 /nfs/dbraw/zinc/08/68/56/363086856.db2.gz VDOHMULYQBYJDS-UHFFFAOYSA-N 1 0 278.306 2.282 10 0 CEAERO CC(C)c1cc(N2CC[C@H]([NH3+])C2)nc(-c2cccnc2)n1 ZINC000070455889 363084876 /nfs/dbraw/zinc/08/48/76/363084876.db2.gz VLAZHAAAHABSDR-ZDUSSCGKSA-N 1 0 283.379 2.199 10 0 CEAERO CCc1sc(C(=O)N2C[C@H](OC)C[C@]2(C)C[NH3+])cc1C ZINC000630357528 351710673 /nfs/dbraw/zinc/71/06/73/351710673.db2.gz DVVXWMFTKMMEQX-IAQYHMDHSA-N 1 0 296.436 2.197 10 0 CEAERO CO[C@H]1CN(Cc2ccc(Cl)s2)[C@](C)(C[NH3+])C1 ZINC000630361134 351712100 /nfs/dbraw/zinc/71/21/00/351712100.db2.gz LYKKSAXSIFLMDU-SKDRFNHKSA-N 1 0 274.817 2.340 10 0 CEAERO CO[C@@H]1CN(Cc2cccc(Cl)c2F)[C@@](C)(C[NH3+])C1 ZINC000630370100 351715591 /nfs/dbraw/zinc/71/55/91/351715591.db2.gz YOCSOPBBJLUNNH-SMDDNHRTSA-N 1 0 286.778 2.417 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)N[C@H](C)c1cnccn1 ZINC000070479117 363090148 /nfs/dbraw/zinc/09/01/48/363090148.db2.gz KBEXYRAMVRXYTL-CHWSQXEVSA-N 1 0 250.390 2.104 10 0 CEAERO CC[C@@H]1[NH2+]CC[C@H]1Nc1nccc(C(F)(F)F)n1 ZINC000630527355 351773386 /nfs/dbraw/zinc/77/33/86/351773386.db2.gz IFEATRBQMFHRMJ-JGVFFNPUSA-N 1 0 260.263 2.048 10 0 CEAERO Cc1ccnc(N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000630530122 351774026 /nfs/dbraw/zinc/77/40/26/351774026.db2.gz YKGXROBLCQJEMN-GHMZBOCLSA-N 1 0 273.302 2.354 10 0 CEAERO C(CC1CCCC1)C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000122287147 187024807 /nfs/dbraw/zinc/02/48/07/187024807.db2.gz SUWKIQFFQWLSNE-MRXNPFEDSA-N 1 0 266.429 2.363 10 0 CEAERO c1cnn(C[C@H]2C[N@H+](Cc3cccc4[nH]ccc43)CCO2)c1 ZINC000122325293 187027228 /nfs/dbraw/zinc/02/72/28/187027228.db2.gz GABDPBLRIKZHKR-OAHLLOKOSA-N 1 0 296.374 2.265 10 0 CEAERO C[C@H]1CN(Cc2ccc(Cl)nc2)C[C@@H]1[NH+](C)C ZINC000124117139 187123014 /nfs/dbraw/zinc/12/30/14/187123014.db2.gz MGBKHROIYDKQEC-JQWIXIFHSA-N 1 0 253.777 2.117 10 0 CEAERO CC[C@H]([NH2+]C[C@@H](C)N1CCOCC1)c1ccccc1 ZINC000123289759 187083153 /nfs/dbraw/zinc/08/31/53/187083153.db2.gz JZMKCLIHSTYDGU-ZBFHGGJFSA-N 1 0 262.397 2.448 10 0 CEAERO Cc1ccc(NC(=O)CN2CCC[C@H]2C[NH3+])cc1Cl ZINC000123430939 187091406 /nfs/dbraw/zinc/09/14/06/187091406.db2.gz MFRVYKDYKHWPOK-LBPRGKRZSA-N 1 0 281.787 2.010 10 0 CEAERO [NH3+]C[C@@H]1CCCN1CCC(=O)Nc1ccccc1Cl ZINC000123438271 187091682 /nfs/dbraw/zinc/09/16/82/187091682.db2.gz GUJWFFNCHFYRCF-NSHDSACASA-N 1 0 281.787 2.092 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCC1(C2CC2)CC1 ZINC000123825550 187110229 /nfs/dbraw/zinc/11/02/29/187110229.db2.gz PTBNUAIGZJRXQO-CQSZACIVSA-N 1 0 279.428 2.302 10 0 CEAERO Cc1cc(Br)cc(C(=O)N2CCC[C@@H]2C[NH3+])c1 ZINC000131500902 187568599 /nfs/dbraw/zinc/56/85/99/187568599.db2.gz SWADWYRFEHTYSF-GFCCVEGCSA-N 1 0 297.196 2.321 10 0 CEAERO CC(C)N(Cc1ccccn1)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000070576530 363098410 /nfs/dbraw/zinc/09/84/10/363098410.db2.gz DQKKGPZVWSKTNQ-UONOGXRCSA-N 1 0 275.396 2.336 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@H](C)Cc2ccc(F)cc2)C1 ZINC000252634957 539882958 /nfs/dbraw/zinc/88/29/58/539882958.db2.gz FKLODEZIMFNJPX-CZUORRHYSA-N 1 0 280.387 2.067 10 0 CEAERO C[C@H](NC(=O)CC1([NH3+])CCC1)c1ccc(F)c(F)c1 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C[NH2+][C@H](C)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000054071769 540200600 /nfs/dbraw/zinc/20/06/00/540200600.db2.gz RLGKMKZBDILWLG-MRVPVSSYSA-N 1 0 275.179 2.260 10 0 CEAERO CCCN(CC(F)(F)F)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054292098 540205897 /nfs/dbraw/zinc/20/58/97/540205897.db2.gz YTEFVCCEIRHVBJ-SNVBAGLBSA-N 1 0 266.307 2.177 10 0 CEAERO C[C@H]1OCC[C@@H]1[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000134241671 366302253 /nfs/dbraw/zinc/30/22/53/366302253.db2.gz JCUPSLGGDMYXAP-PWSUYJOCSA-N 1 0 275.377 2.472 10 0 CEAERO Clc1ccc2c(c1)nccc2NC[C@H]1C[NH2+]CCO1 ZINC000134271032 366305386 /nfs/dbraw/zinc/30/53/86/366305386.db2.gz OZWMPNSCGPGQPS-LLVKDONJSA-N 1 0 277.755 2.289 10 0 CEAERO [NH3+]C1CC(C(=O)c2cscc2Br)C1 ZINC000575507112 366293328 /nfs/dbraw/zinc/29/33/28/366293328.db2.gz SDXHJXCOCZKBGL-UHFFFAOYSA-N 1 0 260.156 2.431 10 0 CEAERO C[C@H]1C[N@H+](C[C@@H](O)COCc2ccccc2)C[C@H]1C ZINC000076112236 363522496 /nfs/dbraw/zinc/52/24/96/363522496.db2.gz ABJFZFPBRCBXMV-IJEWVQPXSA-N 1 0 263.381 2.152 10 0 CEAERO C[C@@H]1COC[C@H](C)N1Cc1cc2ccccc2[nH]c1=O ZINC000077368421 363545987 /nfs/dbraw/zinc/54/59/87/363545987.db2.gz DSYVVNLALJFZKJ-TXEJJXNPSA-N 1 0 272.348 2.137 10 0 CEAERO CSC(C)(C)CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000175517619 188954643 /nfs/dbraw/zinc/95/46/43/188954643.db2.gz QVLUWJGZKRAZGO-AWEZNQCLSA-N 1 0 294.464 2.417 10 0 CEAERO CCCCOC[C@@H](O)C[NH2+][C@H](C)c1c(C)noc1C ZINC000227894190 538769680 /nfs/dbraw/zinc/76/96/80/538769680.db2.gz PVGCPGWXNJPHEH-MFKMUULPSA-N 1 0 270.373 2.120 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NC(C1CC1)C1CC1 ZINC000079088060 363575886 /nfs/dbraw/zinc/57/58/86/363575886.db2.gz CYLIYJHRGAPIOW-CQSZACIVSA-N 1 0 281.444 2.451 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](O)C2)C12CCC2 ZINC000087710123 538806194 /nfs/dbraw/zinc/80/61/94/538806194.db2.gz XTGGRPWXHCNLJI-ZOBORPQBSA-N 1 0 253.386 2.227 10 0 CEAERO CC(C)[C@@H](C)NC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000079123249 363580982 /nfs/dbraw/zinc/58/09/82/363580982.db2.gz MSYPZVATRKLYRH-CYBMUJFWSA-N 1 0 267.417 2.301 10 0 CEAERO CCc1ccc(CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])s1 ZINC000227423232 538832809 /nfs/dbraw/zinc/83/28/09/538832809.db2.gz GXAALIVSAASCHO-GXFFZTMASA-N 1 0 266.410 2.302 10 0 CEAERO COc1ccc(C)cc1[C@H](C)NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079513797 538891042 /nfs/dbraw/zinc/89/10/42/538891042.db2.gz DYHHFBNMDOSDSI-BLLLJJGKSA-N 1 0 276.380 2.323 10 0 CEAERO CC(C)(C)c1nn2c(c1Br)NCC[C@H]2C[NH3+] ZINC000232516889 542255027 /nfs/dbraw/zinc/25/50/27/542255027.db2.gz MQCVAPVJQFSIOV-ZETCQYMHSA-N 1 0 287.205 2.259 10 0 CEAERO CC(C)C[C@@H]1CCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000307828735 540301968 /nfs/dbraw/zinc/30/19/68/540301968.db2.gz FEDWPHUARKHXAE-IHRRRGAJSA-N 1 0 252.402 2.256 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]Cc2cncn2C)c1C ZINC000353570889 540317211 /nfs/dbraw/zinc/31/72/11/540317211.db2.gz NZJJDACGOOQYHI-SNVBAGLBSA-N 1 0 261.373 2.104 10 0 CEAERO OC1CC(C[NH2+]Cc2cccc(F)c2Br)C1 ZINC000156782917 540346731 /nfs/dbraw/zinc/34/67/31/540346731.db2.gz KPRHBTGRTRMHHN-UHFFFAOYSA-N 1 0 288.160 2.449 10 0 CEAERO OCCOC1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000135388478 366434036 /nfs/dbraw/zinc/43/40/36/366434036.db2.gz GYICTWCLOZNWKB-UHFFFAOYSA-N 1 0 286.375 2.208 10 0 CEAERO O=C(OCc1ccccc1)N1CC[C@@H]([NH2+]C2CC2)[C@@H](F)C1 ZINC000203765482 540471902 /nfs/dbraw/zinc/47/19/02/540471902.db2.gz MXXHIMMQMBVVGB-LSDHHAIUSA-N 1 0 292.354 2.488 10 0 CEAERO CC(C)[C@H](C)NC(=O)NCCC[NH+]1CCCCC1 ZINC000078435377 540571933 /nfs/dbraw/zinc/57/19/33/540571933.db2.gz RMWCFFFYOYZFNX-ZDUSSCGKSA-N 1 0 255.406 2.206 10 0 CEAERO CN1CC[NH+]([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000685952217 540646709 /nfs/dbraw/zinc/64/67/09/540646709.db2.gz AULQVTOFZLFZPV-CQSZACIVSA-N 1 0 297.443 2.023 10 0 CEAERO Fc1ccccc1CC[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000137538758 366544124 /nfs/dbraw/zinc/54/41/24/366544124.db2.gz MGZSZDNSTBZRLZ-CQSZACIVSA-N 1 0 288.370 2.372 10 0 CEAERO [NH3+][C@@H]1CCc2[nH]c3nc(Br)ccc3c2C1 ZINC000144576985 366571738 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283525742 /nfs/dbraw/zinc/52/57/42/283525742.db2.gz NMOCQLXZOMIOFT-SNVBAGLBSA-N 1 0 260.284 2.440 10 0 CEAERO [NH3+]Cc1cc(C(=O)N[C@@H]2CCCc3ccccc32)ccn1 ZINC000130009087 283526968 /nfs/dbraw/zinc/52/69/68/283526968.db2.gz SPMJDLMIESMYSH-MRXNPFEDSA-N 1 0 281.359 2.348 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)/C=C/c1ccco1 ZINC000176984680 189018468 /nfs/dbraw/zinc/01/84/68/189018468.db2.gz MRNQDLHKZBTFTR-MMQHEFTJSA-N 1 0 262.353 2.236 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cc1cccc(F)c1 ZINC000176995443 189019580 /nfs/dbraw/zinc/01/95/80/189019580.db2.gz RYILRRDXGKHSMP-HNNXBMFYSA-N 1 0 278.371 2.311 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)/C=C/c1cncc(F)c1 ZINC000177014564 189020725 /nfs/dbraw/zinc/02/07/25/189020725.db2.gz SSRZGSBPXCCNCR-LQYUOIDQSA-N 1 0 291.370 2.177 10 0 CEAERO Cc1cccnc1NC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000177029274 189021724 /nfs/dbraw/zinc/02/17/24/189021724.db2.gz ZOWWVGYAOTVDDV-QWHCGFSZSA-N 1 0 276.384 2.240 10 0 CEAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1cccnc1 ZINC000178316946 189107033 /nfs/dbraw/zinc/10/70/33/189107033.db2.gz RZVBNEKMYUZRJX-HNNXBMFYSA-N 1 0 256.353 2.251 10 0 CEAERO Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178324322 189107566 /nfs/dbraw/zinc/10/75/66/189107566.db2.gz AKIKYKJXJKIEPQ-OAHLLOKOSA-N 1 0 287.411 2.206 10 0 CEAERO Cc1noc(C)c1C[N@H+]1CCC[C@H]1Cn1ccnc1C ZINC000178334216 189108246 /nfs/dbraw/zinc/10/82/46/189108246.db2.gz PAVKNQFNQBWPCG-AWEZNQCLSA-N 1 0 274.368 2.461 10 0 CEAERO CCC[C@H](C(=O)NCCCOc1ccccc1)[NH+](C)C ZINC000179108905 189170163 /nfs/dbraw/zinc/17/01/63/189170163.db2.gz TXZJWVNQSHXONH-OAHLLOKOSA-N 1 0 278.396 2.302 10 0 CEAERO O=C(/C=C/c1ccnc(Cl)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179225670 189178536 /nfs/dbraw/zinc/17/85/36/189178536.db2.gz JVNSFKVMCFNPRI-ITDFMYJTSA-N 1 0 291.782 2.055 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cnn2ccccc12 ZINC000179559100 189202559 /nfs/dbraw/zinc/20/25/59/189202559.db2.gz YNEZZTSWSZWMQT-OAHLLOKOSA-N 1 0 272.396 2.250 10 0 CEAERO CC(C)n1cc(C[NH2+]CC2C[C@H](C)O[C@@H](C)C2)nn1 ZINC000342174094 216246099 /nfs/dbraw/zinc/24/60/99/216246099.db2.gz UOXBPJJKSFYLFA-RYUDHWBXSA-N 1 0 266.389 2.152 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]Cc2cc(C)n[nH]2)c1C ZINC000675893512 540879701 /nfs/dbraw/zinc/87/97/01/540879701.db2.gz NCQBHJSDLFDZMX-SNVBAGLBSA-N 1 0 261.373 2.402 10 0 CEAERO Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1cccn1C ZINC000180132622 189238197 /nfs/dbraw/zinc/23/81/97/189238197.db2.gz UJEWLRZZBNCHRT-HNNXBMFYSA-N 1 0 258.369 2.195 10 0 CEAERO C[N@@H+]1CC(CO)=C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000000896007 361194667 /nfs/dbraw/zinc/19/46/67/361194667.db2.gz DAVNRFCJMIONPO-UKRRQHHQSA-N 1 0 254.333 2.040 10 0 in-vitro CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cn2ccccc2n1 ZINC000180829321 189278289 /nfs/dbraw/zinc/27/82/89/189278289.db2.gz VFCFOYXEYBSMFP-JKSUJKDBSA-N 1 0 284.407 2.393 10 0 CEAERO CC(C)n1nccc1C[NH2+][C@@H]1CCCCC[C@H]1O ZINC000342282010 216290254 /nfs/dbraw/zinc/29/02/54/216290254.db2.gz OONDGBMCJGENBF-ZIAGYGMSSA-N 1 0 251.374 2.247 10 0 CEAERO COc1ccc(CCNc2cc[nH+]cc2N)cc1OC ZINC000001846612 361224009 /nfs/dbraw/zinc/22/40/09/361224009.db2.gz ANCFJXIIXVJDGG-UHFFFAOYSA-N 1 0 273.336 2.336 10 0 CEAERO Cc1ccc(C[C@H](C)C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000181200459 189290856 /nfs/dbraw/zinc/29/08/56/189290856.db2.gz YRQWCKHQVMCNFF-GOEBONIOSA-N 1 0 274.408 2.336 10 0 CEAERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)NCc1cccnc1 ZINC000181536358 189299853 /nfs/dbraw/zinc/29/98/53/189299853.db2.gz UDWTZUYHCFHOHU-AWEZNQCLSA-N 1 0 283.375 2.357 10 0 CEAERO COC[C@H]([NH2+]C[C@H](O)COC(C)(C)C)c1ccccc1 ZINC000181698777 189304527 /nfs/dbraw/zinc/30/45/27/189304527.db2.gz BLNWCOZMMUHIDO-GJZGRUSLSA-N 1 0 281.396 2.140 10 0 CEAERO O[C@@H](C[C@@H]1CCC[NH2+]C1)CN1CCCc2ccccc21 ZINC000004707350 361327592 /nfs/dbraw/zinc/32/75/92/361327592.db2.gz SIRJWXUJMCZVAW-HOCLYGCPSA-N 1 0 274.408 2.190 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccnc(C)c1 ZINC000182134188 189314962 /nfs/dbraw/zinc/31/49/62/189314962.db2.gz BSPRTPQVRLIWMQ-LSDHHAIUSA-N 1 0 288.395 2.481 10 0 CEAERO c1ccc(COCCCN2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000182358548 189320943 /nfs/dbraw/zinc/32/09/43/189320943.db2.gz ODDXETFRUTZHKR-QGZVFWFLSA-N 1 0 274.408 2.373 10 0 CEAERO CSc1ccccc1CC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000082288533 363761643 /nfs/dbraw/zinc/76/16/43/363761643.db2.gz KSKHDLZZVPFIFZ-CYBMUJFWSA-N 1 0 278.421 2.114 10 0 CEAERO CCC[C@H](CC)[NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182338854 189320403 /nfs/dbraw/zinc/32/04/03/189320403.db2.gz UHMMVQQYCBUTLY-UONOGXRCSA-N 1 0 292.427 2.392 10 0 CEAERO CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000012506102 361386786 /nfs/dbraw/zinc/38/67/86/361386786.db2.gz IRRTYOSSILIGST-ZYANWLCNSA-N 1 0 254.374 2.417 10 0 CEAERO C[NH2+][C@H](C)C(=O)Nc1cc(OC)ccc1Br ZINC000083869599 363790128 /nfs/dbraw/zinc/79/01/28/363790128.db2.gz JJJZPMBNVUZCMX-SSDOTTSWSA-N 1 0 287.157 2.004 10 0 CEAERO Cc1ncc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c(C)n1 ZINC000182536519 189327488 /nfs/dbraw/zinc/32/74/88/189327488.db2.gz XVGFZIQAPYXYRA-INIZCTEOSA-N 1 0 298.390 2.126 10 0 CEAERO CNC(=O)[C@@H](C)CN(C)c1cc[nH+]c2c(C)cccc12 ZINC000301646368 201114125 /nfs/dbraw/zinc/11/41/25/201114125.db2.gz DDFMRAZATOOBBL-LBPRGKRZSA-N 1 0 271.364 2.362 10 0 CEAERO C[C@H](NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(F)c1F ZINC000183232462 189351655 /nfs/dbraw/zinc/35/16/55/189351655.db2.gz RSJABOUEVWIIOV-QWHCGFSZSA-N 1 0 298.377 2.462 10 0 CEAERO Cc1ccc([C@H](C)[NH2+]CCn2c(C)csc2=O)o1 ZINC000183087150 189345982 /nfs/dbraw/zinc/34/59/82/189345982.db2.gz ISCBEZJHTSVUKQ-NSHDSACASA-N 1 0 266.366 2.470 10 0 CEAERO CCc1oc(C(=O)OC)cc1C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000183156154 189348650 /nfs/dbraw/zinc/34/86/50/189348650.db2.gz PAFPXNSRLSCPEH-MFKMUULPSA-N 1 0 281.352 2.286 10 0 CEAERO C[C@@H](NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(F)c1F ZINC000183232481 189351550 /nfs/dbraw/zinc/35/15/50/189351550.db2.gz RSJABOUEVWIIOV-CHWSQXEVSA-N 1 0 298.377 2.462 10 0 CEAERO Cc1nnc(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)s1 ZINC000301691987 201143197 /nfs/dbraw/zinc/14/31/97/201143197.db2.gz KYAYANIXKUYTNF-CHWSQXEVSA-N 1 0 296.440 2.026 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cc(C)ccn1 ZINC000184099319 189375852 /nfs/dbraw/zinc/37/58/52/189375852.db2.gz DVYXTRZDFXNVFQ-ZDUSSCGKSA-N 1 0 276.384 2.338 10 0 CEAERO Clc1ccccc1-c1nnc(N2CC[NH2+]CC2)s1 ZINC000031978349 361724514 /nfs/dbraw/zinc/72/45/14/361724514.db2.gz JWZKAVMREHCVDX-UHFFFAOYSA-N 1 0 280.784 2.268 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](c2ccc(Br)cc2)O1 ZINC000032108965 361726913 /nfs/dbraw/zinc/72/69/13/361726913.db2.gz RNNLKNHVQCIWCM-KCJUWKMLSA-N 1 0 256.143 2.499 10 0 CEAERO CCCc1nsc(N[C@H]2CCC[N@H+](CC)C2)n1 ZINC000087640993 363865390 /nfs/dbraw/zinc/86/53/90/363865390.db2.gz BJIDMUHTFTYCRE-JTQLQIEISA-N 1 0 254.403 2.387 10 0 CEAERO CCCc1nsc(N2CCC(CC[NH2+]C)CC2)n1 ZINC000087642810 363866488 /nfs/dbraw/zinc/86/64/88/363866488.db2.gz FBGUBYALDJPRLJ-UHFFFAOYSA-N 1 0 268.430 2.317 10 0 CEAERO C[NH2+]CCC1CCN(c2nc(C3CC3)ns2)CC1 ZINC000087642812 363866841 /nfs/dbraw/zinc/86/68/41/363866841.db2.gz HQCMNNOETNCJJQ-UHFFFAOYSA-N 1 0 266.414 2.241 10 0 CEAERO CCc1cc2c(ncnc2N2C[C@H](C)[NH2+]C[C@@H]2C)s1 ZINC000086471130 363837228 /nfs/dbraw/zinc/83/72/28/363837228.db2.gz ZUONOFHNQUMULO-UWVGGRQHSA-N 1 0 276.409 2.440 10 0 CEAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000089160835 363941171 /nfs/dbraw/zinc/94/11/71/363941171.db2.gz GCAVFDPUMHDBEB-HOCLYGCPSA-N 1 0 271.364 2.123 10 0 CEAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cccc2cc[nH]c21 ZINC000088733411 363917851 /nfs/dbraw/zinc/91/78/51/363917851.db2.gz IWKFKJYXGQSNAL-LBPRGKRZSA-N 1 0 271.364 2.192 10 0 CEAERO COC(=O)c1cccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])c1C ZINC000089452773 363968370 /nfs/dbraw/zinc/96/83/70/363968370.db2.gz ODROLUPCJXLISG-AAEUAGOBSA-N 1 0 290.363 2.095 10 0 CEAERO COC(=O)c1cccc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c1C ZINC000089452769 363968451 /nfs/dbraw/zinc/96/84/51/363968451.db2.gz ODROLUPCJXLISG-DGCLKSJQSA-N 1 0 290.363 2.095 10 0 CEAERO Cc1cccc(NC[C@H]2CC[N@H+](CC3=CCCOC3)C2)n1 ZINC000092813346 364110356 /nfs/dbraw/zinc/11/03/56/364110356.db2.gz FXOZTPSHIPPRMZ-OAHLLOKOSA-N 1 0 287.407 2.471 10 0 CEAERO CCn1cnnc1[C@H]1CCC[N@H+](Cc2ncccc2C)C1 ZINC000093170038 364147166 /nfs/dbraw/zinc/14/71/66/364147166.db2.gz BPOYBPWVHYXDHE-AWEZNQCLSA-N 1 0 285.395 2.381 10 0 CEAERO [NH3+][C@H]1CC[C@@H](C(=O)NCc2cccc(OCC(F)F)c2)C1 ZINC000237935174 370760450 /nfs/dbraw/zinc/76/04/50/370760450.db2.gz YQUSWDAXUBUHBC-NEPJUHHUSA-N 1 0 298.333 2.074 10 0 CEAERO [NH3+][C@H]1CCC[C@@H](C(=O)NCCOC2CCCCCC2)C1 ZINC000237906524 370758815 /nfs/dbraw/zinc/75/88/15/370758815.db2.gz OWPIOEVREJICEG-KGLIPLIRSA-N 1 0 282.428 2.360 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCc1cccnc1 ZINC000094448617 364275557 /nfs/dbraw/zinc/27/55/57/364275557.db2.gz DNWULFBWZFYDGT-JKSUJKDBSA-N 1 0 259.397 2.183 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ncccc1C ZINC000094449766 364276059 /nfs/dbraw/zinc/27/60/59/364276059.db2.gz KPVIMENJQHTHFT-LSDHHAIUSA-N 1 0 259.397 2.449 10 0 CEAERO O=[S@](C[C@@H]1CCC[NH2+]1)c1nc2ccccc2s1 ZINC000095073565 364332755 /nfs/dbraw/zinc/33/27/55/364332755.db2.gz WCIQZBBYHIYWSJ-XYZCENFISA-N 1 0 266.391 2.156 10 0 CEAERO [NH3+][C@H]1CCOC[C@@H]1Cc1ccc(Br)cc1 ZINC000095077444 364333681 /nfs/dbraw/zinc/33/36/81/364333681.db2.gz HLMQHRGQRRTJRT-JQWIXIFHSA-N 1 0 270.170 2.355 10 0 CEAERO CCCC(=O)N[C@H]1CCC[N@H+](CCOc2ccccc2)C1 ZINC000101565184 364562472 /nfs/dbraw/zinc/56/24/72/364562472.db2.gz XZUUVGCADOYRMM-HNNXBMFYSA-N 1 0 290.407 2.446 10 0 CEAERO CCC[N@@H+]1CC[C@H](c2ccccc2)[C@@H](S(C)(=O)=O)C1 ZINC000100427461 364545751 /nfs/dbraw/zinc/54/57/51/364545751.db2.gz IIOIALXQCCSHAN-CABCVRRESA-N 1 0 281.421 2.299 10 0 CEAERO C[C@@H]1CC[NH2+]C[C@H]1Nc1ccc(Br)cn1 ZINC000335657961 212376233 /nfs/dbraw/zinc/37/62/33/212376233.db2.gz QJZMXJYHYHNZIT-PSASIEDQSA-N 1 0 270.174 2.254 10 0 CEAERO Cc1nc(C[C@@H]2CCC[N@H+](Cc3ccccn3)C2)no1 ZINC000103474141 364657570 /nfs/dbraw/zinc/65/75/70/364657570.db2.gz CKRMSHDTLXWOAM-ZDUSSCGKSA-N 1 0 272.352 2.228 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CCc1ccncc1 ZINC000104327416 364693407 /nfs/dbraw/zinc/69/34/07/364693407.db2.gz LOUBPUPQCRNWFZ-OAHLLOKOSA-N 1 0 277.412 2.107 10 0 CEAERO CN(CC[N@H+](C)C[C@H](O)COC(C)(C)C)c1ccccc1 ZINC000107792085 364711458 /nfs/dbraw/zinc/71/14/58/364711458.db2.gz AKIIQHFZCLRYRI-INIZCTEOSA-N 1 0 294.439 2.231 10 0 CEAERO CCS(=O)(=O)c1ccc(N[C@@H](C[NH3+])CC(C)C)cc1 ZINC000111377024 364732411 /nfs/dbraw/zinc/73/24/11/364732411.db2.gz BBIICPLYMXNBDH-CYBMUJFWSA-N 1 0 284.425 2.266 10 0 CEAERO Cc1cccc(CCN2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1 ZINC000335437105 364734268 /nfs/dbraw/zinc/73/42/68/364734268.db2.gz RMYKJUYFLLLBHI-ZBFHGGJFSA-N 1 0 259.397 2.101 10 0 CEAERO c1ccc(NC[C@@H]2CC[N@H+](CC3CCOCC3)C2)nc1 ZINC000112697428 364827876 /nfs/dbraw/zinc/82/78/76/364827876.db2.gz KDOSEEWALNWLNZ-HNNXBMFYSA-N 1 0 275.396 2.242 10 0 CEAERO Cc1cccc(OCC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000113233711 364878033 /nfs/dbraw/zinc/87/80/33/364878033.db2.gz KROAIQUXAXTZMZ-LSDHHAIUSA-N 1 0 288.391 2.069 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1ccsc1 ZINC000113230752 364878365 /nfs/dbraw/zinc/87/83/65/364878365.db2.gz PRHBWBMNCGIHGY-GXTWGEPZSA-N 1 0 278.421 2.376 10 0 CEAERO [NH3+]C[C@H]1CC[C@@H](Nc2ccc(Br)cn2)C1 ZINC000335582655 212294984 /nfs/dbraw/zinc/29/49/84/212294984.db2.gz RFEXGLPRVVOCKC-WCBMZHEXSA-N 1 0 270.174 2.383 10 0 CEAERO CC(C)(C)OC(=O)N[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000115079439 364984549 /nfs/dbraw/zinc/98/45/49/364984549.db2.gz QELMUWDFAGEENM-OAHLLOKOSA-N 1 0 262.353 2.400 10 0 CEAERO CCOCC[N@@H+]1CCN(C(=O)C2CCCC2)C[C@H]1CC ZINC000116770336 365068244 /nfs/dbraw/zinc/06/82/44/365068244.db2.gz IUSNHEAIADQYEA-OAHLLOKOSA-N 1 0 282.428 2.136 10 0 CEAERO C[NH+](C)C[C@@H]1CN(C(=O)CCC2CCCCC2)CCO1 ZINC000116794237 365069197 /nfs/dbraw/zinc/06/91/97/365069197.db2.gz SMDWQPDLSCHNRM-OAHLLOKOSA-N 1 0 282.428 2.136 10 0 CEAERO CCN(CC)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115845124 365029621 /nfs/dbraw/zinc/02/96/21/365029621.db2.gz QXVFMTQLHFBVNF-UHFFFAOYSA-N 1 0 281.375 2.439 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cc3cc(F)ccc3o2)C1 ZINC000117786543 365124698 /nfs/dbraw/zinc/12/46/98/365124698.db2.gz VWSNQNZAQNHFIL-GFCCVEGCSA-N 1 0 276.311 2.348 10 0 CEAERO CCc1cccc(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000118792520 365180113 /nfs/dbraw/zinc/18/01/13/365180113.db2.gz REZGHRSQDBIQIE-HNNXBMFYSA-N 1 0 291.395 2.043 10 0 CEAERO CCSCC[NH+]1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000119137059 365222241 /nfs/dbraw/zinc/22/22/41/365222241.db2.gz CTHMIJYQPACAKJ-INIZCTEOSA-N 1 0 294.464 2.091 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2cnn(-c3ccccc3)c2)C1 ZINC000118985364 365196385 /nfs/dbraw/zinc/19/63/85/365196385.db2.gz NOLHRMLVDFLBDK-OAHLLOKOSA-N 1 0 299.378 2.040 10 0 CEAERO CC(C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000119207233 365234797 /nfs/dbraw/zinc/23/47/97/365234797.db2.gz PWEDLTANQZGWLC-KBPBESRZSA-N 1 0 252.402 2.271 10 0 CEAERO CC[C@@](C)(O)CN[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000119476027 365278445 /nfs/dbraw/zinc/27/84/45/365278445.db2.gz LTWLOVXRCZYXPN-BLLLJJGKSA-N 1 0 289.379 2.472 10 0 CEAERO COCc1ccc(C[N@@H+]2CCC[C@H](n3cncn3)C2)cc1 ZINC000119499845 365282655 /nfs/dbraw/zinc/28/26/55/365282655.db2.gz RIWLWRYXJGBPOI-INIZCTEOSA-N 1 0 286.379 2.262 10 0 CEAERO CC[C@H](C)C[NH2+]C[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000120371277 365414122 /nfs/dbraw/zinc/41/41/22/365414122.db2.gz PZIHKDOHTVXXBT-STQMWFEESA-N 1 0 277.416 2.123 10 0 CEAERO CS[C@@H](C)CNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000120785647 365475815 /nfs/dbraw/zinc/47/58/15/365475815.db2.gz QUPNSNNJEHFGTM-JSGCOSHPSA-N 1 0 295.452 2.340 10 0 CEAERO COc1cc([C@H](C)[NH2+][C@@H]2C[C@@H]2C)ccc1S(C)(=O)=O ZINC000120470596 365429261 /nfs/dbraw/zinc/42/92/61/365429261.db2.gz PKCFTNIGVGPUPX-JBLDHEPKSA-N 1 0 283.393 2.158 10 0 CEAERO CC[C@H](C)C[NH2+][C@H]1CCc2nc(C(C)C)nn2C1 ZINC000120543183 365440785 /nfs/dbraw/zinc/44/07/85/365440785.db2.gz OIOHYXALLHDLSL-RYUDHWBXSA-N 1 0 250.390 2.352 10 0 CEAERO CO[C@H]1CCC[N@H+](CCN(C)Cc2ccc(F)cc2)C1 ZINC000159203046 366888492 /nfs/dbraw/zinc/88/84/92/366888492.db2.gz IWQBNYLPFBJNKI-INIZCTEOSA-N 1 0 280.387 2.368 10 0 CEAERO CCOCCN1CC[N@H+](C[C@H]2CC=CCC2)C[C@@H]1C ZINC000120868336 365487621 /nfs/dbraw/zinc/48/76/21/365487621.db2.gz FBWRGWLZRJAZOD-HOTGVXAUSA-N 1 0 266.429 2.385 10 0 CEAERO CC[C@@H]1C[N@H+](C[C@H]2CC=CCC2)CCN1CCOC ZINC000120918096 365495385 /nfs/dbraw/zinc/49/53/85/365495385.db2.gz QBPXOUASWACXMR-JKSUJKDBSA-N 1 0 266.429 2.385 10 0 CEAERO C[C@]1(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)CC[NH2+]C1 ZINC000062893407 291368653 /nfs/dbraw/zinc/36/86/53/291368653.db2.gz WXQJWQCHJDSSQU-NHCYSSNCSA-N 1 0 278.318 2.223 10 0 CEAERO O=C(NCc1cccc(Cl)c1Cl)[C@H]1C[C@H](F)C[NH2+]1 ZINC000582964658 366983293 /nfs/dbraw/zinc/98/32/93/366983293.db2.gz GQSYGNXRUYGNRN-WCBMZHEXSA-N 1 0 291.153 2.310 10 0 CEAERO O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@H]1CCC[NH2+]C1 ZINC000161954876 367124571 /nfs/dbraw/zinc/12/45/71/367124571.db2.gz LUVDFFCCMWZYLG-HBNTYKKESA-N 1 0 278.318 2.223 10 0 CEAERO C[C@@H]1CN(C(=O)c2ccc3c(c2)CCCC3)C[C@@H]1C[NH3+] ZINC000638883869 370818574 /nfs/dbraw/zinc/81/85/74/370818574.db2.gz BUKDBVFLECOZDK-WBMJQRKESA-N 1 0 272.392 2.232 10 0 CEAERO Cc1cc(OCC(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)ccc1Cl ZINC000638885979 370820319 /nfs/dbraw/zinc/82/03/19/370820319.db2.gz PSOYCJCPLHQHNN-NEPJUHHUSA-N 1 0 296.798 2.080 10 0 CEAERO CSc1ccc(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000638886560 370820437 /nfs/dbraw/zinc/82/04/37/370820437.db2.gz LMSVODXCBANYLT-CMPLNLGQSA-N 1 0 264.394 2.075 10 0 CEAERO C[C@H]1CN(C(=O)c2ccc(Cl)s2)C[C@@H]1C[NH3+] ZINC000638886772 370820567 /nfs/dbraw/zinc/82/05/67/370820567.db2.gz SOMDGXPEYGMKPQ-YUMQZZPRSA-N 1 0 258.774 2.068 10 0 CEAERO CSc1ccc(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000638886566 370820822 /nfs/dbraw/zinc/82/08/22/370820822.db2.gz LMSVODXCBANYLT-ZYHUDNBSSA-N 1 0 264.394 2.075 10 0 CEAERO C[C@@H]1CN(C(=O)CCSc2ccccc2)C[C@@H]1C[NH3+] ZINC000638887458 370821924 /nfs/dbraw/zinc/82/19/24/370821924.db2.gz VCPDKOGUXPPUOH-OLZOCXBDSA-N 1 0 278.421 2.222 10 0 CEAERO Cc1cc(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)sc1C ZINC000638889493 370823024 /nfs/dbraw/zinc/82/30/24/370823024.db2.gz VLJUSPFBPMYCPO-MWLCHTKSSA-N 1 0 252.383 2.032 10 0 CEAERO C[C@H]1CN(C(=O)c2cc(-c3cccs3)on2)C[C@@H]1C[NH3+] ZINC000638888598 370823134 /nfs/dbraw/zinc/82/31/34/370823134.db2.gz NTIBKPSYYHRYTE-UWVGGRQHSA-N 1 0 291.376 2.070 10 0 CEAERO C[C@@H]1CN(C(=O)CCCc2cccs2)C[C@@H]1C[NH3+] ZINC000638891277 370823888 /nfs/dbraw/zinc/82/38/88/370823888.db2.gz ZMMZWMZSUAUUKL-NEPJUHHUSA-N 1 0 266.410 2.124 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C)C(=O)Nc1ccccc1 ZINC000245465009 370824150 /nfs/dbraw/zinc/82/41/50/370824150.db2.gz IGASTTOZIXNEAZ-ZBFHGGJFSA-N 1 0 289.423 2.430 10 0 CEAERO O=C([C@H]1CC1(F)F)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000336245275 296094584 /nfs/dbraw/zinc/09/45/84/296094584.db2.gz UGQZMWQCTGAPQK-NWDGAFQWSA-N 1 0 272.339 2.119 10 0 CEAERO C[C@H](O)C[N@@H+]1CCN(Cc2ccc([C@@H]3C[C@@H]3C)o2)C[C@@H]1C ZINC000245698648 370859785 /nfs/dbraw/zinc/85/97/85/370859785.db2.gz CQWWZOJDGPHZNO-RZLSGREXSA-N 1 0 292.423 2.290 10 0 CEAERO CC(C)CN(C(=O)[C@H](C)C1C[NH2+]C1)C1CCCC1 ZINC000164668305 367292634 /nfs/dbraw/zinc/29/26/34/367292634.db2.gz UKBFGMPLUOKALL-GFCCVEGCSA-N 1 0 252.402 2.269 10 0 CEAERO C[C@@H]([NH2+]C1(CO)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000166194171 367319532 /nfs/dbraw/zinc/31/95/32/367319532.db2.gz FYYLJLPQCFVBTR-CHWSQXEVSA-N 1 0 298.427 2.137 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2CCCc3occc32)C1 ZINC000170830507 367428242 /nfs/dbraw/zinc/42/82/42/367428242.db2.gz GELXDBKFDBJXQX-DGCLKSJQSA-N 1 0 277.368 2.003 10 0 CEAERO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H]1COc2ccccc21 ZINC000171056615 367468820 /nfs/dbraw/zinc/46/88/20/367468820.db2.gz NVQSTRFDUCBOHD-TZMCWYRMSA-N 1 0 291.395 2.150 10 0 CEAERO Cc1cccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)c1C ZINC000171068018 367469997 /nfs/dbraw/zinc/46/99/97/367469997.db2.gz AEHUKNXAONSAJW-CYBMUJFWSA-N 1 0 261.369 2.471 10 0 CEAERO CCc1ccsc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170855863 367432571 /nfs/dbraw/zinc/43/25/71/367432571.db2.gz GOMFYHWZKSGATD-NSHDSACASA-N 1 0 252.383 2.087 10 0 CEAERO CCn1cc(CC(=O)N2CC[C@@H]([NH+](C)C)C2)c2ccccc21 ZINC000170863939 367433917 /nfs/dbraw/zinc/43/39/17/367433917.db2.gz UOHSKYXBDVDEAB-OAHLLOKOSA-N 1 0 299.418 2.366 10 0 CEAERO C[C@@H](CC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000170862203 367434577 /nfs/dbraw/zinc/43/45/77/367434577.db2.gz ZBRLLPMAWRJHIQ-ZFWWWQNUSA-N 1 0 260.381 2.343 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CCc1cscn1 ZINC000171204295 367496491 /nfs/dbraw/zinc/49/64/91/367496491.db2.gz UROQGTNBNVNWBX-CYBMUJFWSA-N 1 0 283.441 2.168 10 0 CEAERO Cc1nn(C)c(C)c1C[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000171410737 367536323 /nfs/dbraw/zinc/53/63/23/367536323.db2.gz SAKBPDFTVLWPCI-OAHLLOKOSA-N 1 0 273.384 2.108 10 0 CEAERO O=C(NCc1cccs1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000171573733 367569819 /nfs/dbraw/zinc/56/98/19/367569819.db2.gz VAJDSSPYGXCKMF-LBPRGKRZSA-N 1 0 279.409 2.128 10 0 CEAERO CCC[C@H](C)C[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000245873821 370881542 /nfs/dbraw/zinc/88/15/42/370881542.db2.gz SKOYCQKDSOWHIY-RRFJBIMHSA-N 1 0 254.418 2.075 10 0 CEAERO C[C@H]1COC[C@H](C)[NH+]1Cc1ccc(-n2cccn2)cc1 ZINC000172667496 367795471 /nfs/dbraw/zinc/79/54/71/367795471.db2.gz RFBCWKTXMREBKY-KBPBESRZSA-N 1 0 271.364 2.482 10 0 CEAERO CC1(C)[C@@H]2C[N@@H+](C[C@@H](O)COCc3ccccc3)C[C@@H]21 ZINC000172998419 367856674 /nfs/dbraw/zinc/85/66/74/367856674.db2.gz MSSRUSVGWXFNEW-OAGGEKHMSA-N 1 0 275.392 2.152 10 0 CEAERO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CCCC[C@H]1CO ZINC000245957940 370892770 /nfs/dbraw/zinc/89/27/70/370892770.db2.gz MEWFDFDSZWPJDL-AGIUHOORSA-N 1 0 271.401 2.247 10 0 CEAERO C[NH+](C)C[C@H](NC(=O)NCCC1CC1)c1ccccc1 ZINC000173561663 367922764 /nfs/dbraw/zinc/92/27/64/367922764.db2.gz JPSZRMUZHRPPMM-HNNXBMFYSA-N 1 0 275.396 2.389 10 0 CEAERO C[C@@H](CCOc1ccccc1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000174288844 368006379 /nfs/dbraw/zinc/00/63/79/368006379.db2.gz PDNALGPPNMPMEL-GJZGRUSLSA-N 1 0 290.407 2.254 10 0 CEAERO COc1cccc(-c2noc([C@H](C)[NH2+]CC(C)(C)O)n2)c1 ZINC000174327081 368010458 /nfs/dbraw/zinc/01/04/58/368010458.db2.gz AAFJHNSXQLYYHF-JTQLQIEISA-N 1 0 291.351 2.167 10 0 CEAERO C[C@H]1CN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)C[C@@H]1[NH3+] ZINC000335522458 212211628 /nfs/dbraw/zinc/21/16/28/212211628.db2.gz VJCPYGKZDIYXIN-GWCFXTLKSA-N 1 0 296.798 2.303 10 0 CEAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)C(C)C ZINC000176342776 368227771 /nfs/dbraw/zinc/22/77/71/368227771.db2.gz ZDTVYIZVQMGSDS-MJBXVCDLSA-N 1 0 267.417 2.299 10 0 CEAERO Cc1nc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c(C)s1 ZINC000178919983 368315047 /nfs/dbraw/zinc/31/50/47/368315047.db2.gz LRHVKXBPIFGAEO-CABZTGNLSA-N 1 0 281.425 2.218 10 0 CEAERO C[C@@H](c1ccccn1)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000177189587 368261410 /nfs/dbraw/zinc/26/14/10/368261410.db2.gz IHSZQBJEOIDYLR-STQMWFEESA-N 1 0 256.353 2.366 10 0 CEAERO Cc1nc(C)c([C@@H](C)[NH2+]C[C@H](C)N2CCOCC2)s1 ZINC000177730757 368280963 /nfs/dbraw/zinc/28/09/63/368280963.db2.gz DOWWGTZAKYAGQO-WDEREUQCSA-N 1 0 283.441 2.131 10 0 CEAERO Fc1ccc2c(c1)[C@@H]([N@@H+]1CC[C@H](N3CCOCC3)C1)CC2 ZINC000177821375 368281651 /nfs/dbraw/zinc/28/16/51/368281651.db2.gz KIMDIGMLMCBZQQ-RDJZCZTQSA-N 1 0 290.382 2.220 10 0 CEAERO Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1CN(C(C)C)C[C@@H]1C ZINC000178724346 368310659 /nfs/dbraw/zinc/31/06/59/368310659.db2.gz SZANJYJYUSBMJW-HUBLWGQQSA-N 1 0 264.417 2.108 10 0 CEAERO Cc1ccc(C)c(SCC(=O)N2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000335482632 212156719 /nfs/dbraw/zinc/15/67/19/212156719.db2.gz GSRAWRKMMSCYKE-STQMWFEESA-N 1 0 278.421 2.201 10 0 CEAERO CCCn1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CC)cn1 ZINC000184056032 368667649 /nfs/dbraw/zinc/66/76/49/368667649.db2.gz QFJRVCSQLXAUER-HOTGVXAUSA-N 1 0 276.428 2.352 10 0 CEAERO CC[C@H](C)[C@H](C)C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000184116859 368672507 /nfs/dbraw/zinc/67/25/07/368672507.db2.gz CJPRMRFBUKTHGB-ZNMIVQPWSA-N 1 0 298.471 2.220 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[C@H]1CCCCO1 ZINC000246189757 370924068 /nfs/dbraw/zinc/92/40/68/370924068.db2.gz OQBMOPBLSPVFPJ-RBSFLKMASA-N 1 0 280.412 2.031 10 0 CEAERO COCC[N@@H+]1CCN(Cc2cc(F)ccc2C)C[C@@H]1C ZINC000246054414 370903776 /nfs/dbraw/zinc/90/37/76/370903776.db2.gz YOJYEIQSQGXKEU-AWEZNQCLSA-N 1 0 280.387 2.287 10 0 CEAERO COC[C@@H](C)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000246090587 370906651 /nfs/dbraw/zinc/90/66/51/370906651.db2.gz GFUMIGBPCBDBKQ-QLFBSQMISA-N 1 0 284.444 2.143 10 0 CEAERO CCOC(C[NH+]1CCC(c2cnn(CC)c2)CC1)OCC ZINC000184960190 368731109 /nfs/dbraw/zinc/73/11/09/368731109.db2.gz AHJSSLPRXYKPNA-UHFFFAOYSA-N 1 0 295.427 2.482 10 0 CEAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C3(c4ccc(F)cc4)CC3)C[C@@H]12 ZINC000184984537 368731993 /nfs/dbraw/zinc/73/19/93/368731993.db2.gz BFJOPWJZDAHBIZ-NILFDRSVSA-N 1 0 288.366 2.053 10 0 CEAERO Cc1cccc(C)c1OC[C@@H](O)C[N@@H+]1CCS[C@@H](C)C1 ZINC000246174668 370920806 /nfs/dbraw/zinc/92/08/06/370920806.db2.gz TWXWHXRWRUQUOD-GJZGRUSLSA-N 1 0 295.448 2.480 10 0 CEAERO C[C@@H]1CC[C@H](C(=O)N2CC[C@@H](C[NH3+])c3ccccc32)O1 ZINC000639063596 370939300 /nfs/dbraw/zinc/93/93/00/370939300.db2.gz FPMMNICYMNZPRI-TYNCELHUSA-N 1 0 274.364 2.033 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)C2CCCC2)C1 ZINC000246294150 370942692 /nfs/dbraw/zinc/94/26/92/370942692.db2.gz DKSGKUZFHIURLZ-OCCSQVGLSA-N 1 0 267.417 2.349 10 0 CEAERO CCCn1nccc1NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246292885 370942774 /nfs/dbraw/zinc/94/27/74/370942774.db2.gz URAFMDGFUVQJPL-CHWSQXEVSA-N 1 0 293.415 2.143 10 0 CEAERO CCC1(CC)CCN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634751844 368862869 /nfs/dbraw/zinc/86/28/69/368862869.db2.gz YNUSBQCEQLZCTE-BBRMVZONSA-N 1 0 264.413 2.415 10 0 CEAERO CC[C@@H](NC(=O)[C@]12CCC[C@H]1C[NH2+]C2)c1nccs1 ZINC000634768976 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CEAERO Cc1ccc(CCC(=O)NC[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000089166650 184615967 /nfs/dbraw/zinc/61/59/67/184615967.db2.gz PYGMRWNVSVMARC-HUUCEWRRSA-N 1 0 260.381 2.171 10 0 CEAERO C[C@@](O)(C[NH2+]C1CC1)COc1ccc(F)cc1Cl ZINC000090824099 184618357 /nfs/dbraw/zinc/61/83/57/184618357.db2.gz RGCSSDPEOCEQIT-CYBMUJFWSA-N 1 0 273.735 2.361 10 0 CEAERO CCC[NH2+][C@H]1CCCN(C2C(C)(C)C2(C)C)C1=O ZINC000092818994 184629240 /nfs/dbraw/zinc/62/92/40/184629240.db2.gz SHKWUYRNAKKNPZ-NSHDSACASA-N 1 0 252.402 2.412 10 0 CEAERO CCOC(=O)CC[NH2+][C@H](C)c1ccc(F)c(OC)c1 ZINC000092825378 184629584 /nfs/dbraw/zinc/62/95/84/184629584.db2.gz IEYXLJMTEYUPCS-SNVBAGLBSA-N 1 0 269.316 2.438 10 0 CEAERO CC1CCN(C(=O)OCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000092743597 184624360 /nfs/dbraw/zinc/62/43/60/184624360.db2.gz NIJOFMCYVXXFNB-ZDUSSCGKSA-N 1 0 254.374 2.245 10 0 CEAERO CC[NH2+]C[C@@H]1CCO[C@@H]1c1cccc(OC)c1OC ZINC000092863214 184633281 /nfs/dbraw/zinc/63/32/81/184633281.db2.gz GTKRVKSAHMQXRP-FZMZJTMJSA-N 1 0 265.353 2.391 10 0 CEAERO COCC[NH2+]C[C@H]1CCO[C@@H]1c1cc(F)ccc1F ZINC000092881698 184633652 /nfs/dbraw/zinc/63/36/52/184633652.db2.gz PKUONJYYLPSIEB-YGRLFVJLSA-N 1 0 271.307 2.278 10 0 CEAERO Cn1cc([C@H]2CC[NH2+]C[C@H]2c2ccc(F)cc2)cn1 ZINC000093154641 184651974 /nfs/dbraw/zinc/65/19/74/184651974.db2.gz YYQPLHJKCURKRP-CABCVRRESA-N 1 0 259.328 2.420 10 0 CEAERO C[NH2+]C[C@@H](Cc1cc(C)nn1C)c1ccccc1F ZINC000093179030 184653457 /nfs/dbraw/zinc/65/34/57/184653457.db2.gz TWPIORQNZPXAKB-GFCCVEGCSA-N 1 0 261.344 2.413 10 0 CEAERO C[C@@H](C[NH2+]C[C@H]1CCCO1)N(C)CCc1cccs1 ZINC000093271934 184660107 /nfs/dbraw/zinc/66/01/07/184660107.db2.gz ZHJRFHPLTOURKC-UONOGXRCSA-N 1 0 282.453 2.380 10 0 CEAERO O=C1NCCC[C@@H]1C[N@@H+]1CCCC2(CCCC2)C1 ZINC000334559784 296367650 /nfs/dbraw/zinc/36/76/50/296367650.db2.gz DEMXVTDZRPEARS-CYBMUJFWSA-N 1 0 250.386 2.169 10 0 CEAERO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](O)CC(C)(C)C1 ZINC000335399240 208370400 /nfs/dbraw/zinc/37/04/00/208370400.db2.gz IGVMXTKIVCNVTI-GJZGRUSLSA-N 1 0 296.455 2.259 10 0 CEAERO CCc1ccc([C@@H](C)NC[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000289345227 197305134 /nfs/dbraw/zinc/30/51/34/197305134.db2.gz JXQCRCLSWQFZKE-CXAGYDPISA-N 1 0 276.424 2.355 10 0 CEAERO C=C(OCC)c1cc(OC)c(OC)cc1C[NH2+]C ZINC000725267693 542374174 /nfs/dbraw/zinc/37/41/74/542374174.db2.gz XYUDIPOXOFQHRN-UHFFFAOYSA-N 1 0 251.326 2.430 10 0 CEAERO CC(C)(O)CC[N@@H+]1CCCC[C@H]1[C@@H]1CCCC1=O ZINC000093490995 184683783 /nfs/dbraw/zinc/68/37/83/184683783.db2.gz ULJDUJDMKAFWLL-STQMWFEESA-N 1 0 253.386 2.371 10 0 CEAERO C[C@H]1C[C@@]2(C[NH+]=C(N)N2C2CCCCCC2)CCO1 ZINC000093376457 184668828 /nfs/dbraw/zinc/66/88/28/184668828.db2.gz VZLJXZDWKYGQHI-SWLSCSKDSA-N 1 0 265.401 2.277 10 0 CEAERO [NH2+]=C1NC[C@H](c2cncn2C2CC2)N1Cc1cccs1 ZINC000093392940 184670152 /nfs/dbraw/zinc/67/01/52/184670152.db2.gz WXBFUWPFDSCYEB-CYBMUJFWSA-N 1 0 287.392 2.151 10 0 CEAERO NC1=[NH+]CC2(C3CC4CC(C3)CC2C4)N1CC1CC1 ZINC000093393606 184670171 /nfs/dbraw/zinc/67/01/71/184670171.db2.gz WISIKWNKIDWXHL-UHFFFAOYSA-N 1 0 259.397 2.222 10 0 CEAERO CSc1ccc([C@H]2CNC(=[NH2+])N2CC2CC2)cc1 ZINC000093394373 184670493 /nfs/dbraw/zinc/67/04/93/184670493.db2.gz MKKPSDSNLMMSEI-CYBMUJFWSA-N 1 0 261.394 2.490 10 0 CEAERO [NH3+]CC1CCC(C(=O)N(CC(F)(F)F)C2CC2)CC1 ZINC000093425662 184673963 /nfs/dbraw/zinc/67/39/63/184673963.db2.gz LEORKUUUGVUDAK-UHFFFAOYSA-N 1 0 278.318 2.305 10 0 CEAERO C[C@@H](c1ccncc1)N(C)C(=O)C1CCC(C[NH3+])CC1 ZINC000093425338 184674309 /nfs/dbraw/zinc/67/43/09/184674309.db2.gz SJDXJMNSVHNVRG-OPFPJEHXSA-N 1 0 275.396 2.366 10 0 CEAERO CC[NH2+][C@H](CC)CS(=O)(=O)c1ccccc1C ZINC000081978116 177910048 /nfs/dbraw/zinc/91/00/48/177910048.db2.gz SSRSBPYLCRLVGM-GFCCVEGCSA-N 1 0 255.383 2.157 10 0 CEAERO C[NH2+][C@H](C)CCCCS(=O)(=O)c1ccc(OC)cc1 ZINC000081923298 177896774 /nfs/dbraw/zinc/89/67/74/177896774.db2.gz FPZFGNXTLNDTEG-GFCCVEGCSA-N 1 0 285.409 2.247 10 0 CEAERO C[NH2+][C@H]1CCCC[C@@H]1S(=O)(=O)c1ccccc1F ZINC000081922897 177895757 /nfs/dbraw/zinc/89/57/57/177895757.db2.gz IOQPNQVKIVEKIQ-AAEUAGOBSA-N 1 0 271.357 2.130 10 0 CEAERO Cc1nnc(S[C@H]2CCCCCC[C@@H]2[NH3+])n1C ZINC000081886210 177877969 /nfs/dbraw/zinc/87/79/69/177877969.db2.gz IVOHLOUOAVAFGX-QWRGUYRKSA-N 1 0 254.403 2.266 10 0 CEAERO CC[C@@H](SCC(=O)OC)[C@@H]([NH3+])c1ccccc1 ZINC000081794115 177861056 /nfs/dbraw/zinc/86/10/56/177861056.db2.gz DGJOGOCCDVMUSS-YPMHNXCESA-N 1 0 253.367 2.371 10 0 CEAERO C[NH2+][C@@H]1CCC2(C[C@H]1SCc1ccco1)OCCO2 ZINC000081773779 177857801 /nfs/dbraw/zinc/85/78/01/177857801.db2.gz QDQPGRAIGPXABY-CHWSQXEVSA-N 1 0 283.393 2.396 10 0 CEAERO CN(C)c1nnc(SC[C@@H]([NH3+])C(C)(C)C)s1 ZINC000081769290 177856792 /nfs/dbraw/zinc/85/67/92/177856792.db2.gz VASRVYPLJXNINS-SSDOTTSWSA-N 1 0 260.432 2.070 10 0 CEAERO C[C@H](C[NH2+]C[C@@H]1CCCO1)Oc1cncc(Cl)c1 ZINC000081703032 177841023 /nfs/dbraw/zinc/84/10/23/177841023.db2.gz NJSIFBGXFDEISJ-PWSUYJOCSA-N 1 0 270.760 2.271 10 0 CEAERO COC1CC[NH+]([C@]2(CN)CCC[C@@H](C3CC3)C2)CC1 ZINC000081640739 177834948 /nfs/dbraw/zinc/83/49/48/177834948.db2.gz UVJUVGZFWCJCCS-GDBMZVCRSA-N 1 0 266.429 2.395 10 0 CEAERO CC(C)N(CCC(N)=[NH2+])c1nccc(C(F)(F)F)n1 ZINC000081586411 177824566 /nfs/dbraw/zinc/82/45/66/177824566.db2.gz VGEOBDQRSHXMKF-UHFFFAOYSA-N 1 0 275.278 2.036 10 0 CEAERO CC(C)([NH3+])COCC(=O)Nc1cccc(Cl)c1 ZINC000080801261 177709319 /nfs/dbraw/zinc/70/93/19/177709319.db2.gz OYUWDDXMJRCYIN-UHFFFAOYSA-N 1 0 256.733 2.032 10 0 CEAERO CCO[C@H](C)c1noc(CC[C@H]2CCC[NH2+]C2)n1 ZINC000080741802 177697557 /nfs/dbraw/zinc/69/75/57/177697557.db2.gz CJTXCRHQSXKSJG-GHMZBOCLSA-N 1 0 253.346 2.099 10 0 CEAERO CC[NH2+][C@@H]1CCC[C@H]1CCN1C(=O)c2ccccc2C1=O ZINC000093556505 184691037 /nfs/dbraw/zinc/69/10/37/184691037.db2.gz WCSMIVFDHPALNP-SWLSCSKDSA-N 1 0 286.375 2.451 10 0 CEAERO C[NH2+][C@@H]1CCC[C@H]1CCn1c2ccccc2oc1=O ZINC000093556661 184691164 /nfs/dbraw/zinc/69/11/64/184691164.db2.gz YNNCYERTGALLIX-NWDGAFQWSA-N 1 0 260.337 2.373 10 0 CEAERO C[NH2+][C@@H]1CCC[C@@H]1CCn1c2ccccc2nc(C)c1=O ZINC000093557264 184691234 /nfs/dbraw/zinc/69/12/34/184691234.db2.gz MKHSAHSHBQHUTP-ZIAGYGMSSA-N 1 0 285.391 2.483 10 0 CEAERO Cc1cc(C)c(OCC[C@H]2CCC[C@]2([NH3+])C(N)=O)c(C)c1 ZINC000093617415 184696976 /nfs/dbraw/zinc/69/69/76/184696976.db2.gz DKFACISJTBVJKW-RHSMWYFYSA-N 1 0 290.407 2.364 10 0 CEAERO CC(C)[NH2+][C@@]1(C(N)=O)CCC[C@H]1CCOC1CCCC1 ZINC000093621576 184697122 /nfs/dbraw/zinc/69/71/22/184697122.db2.gz YGKZWCYKNOOMTN-BBRMVZONSA-N 1 0 282.428 2.358 10 0 CEAERO CC[NH2+][C@]1(CO)CCC[C@H]1CCOc1ccc(CO)cc1 ZINC000093619635 184697182 /nfs/dbraw/zinc/69/71/82/184697182.db2.gz RHRWUYQXIOOFIE-RDJZCZTQSA-N 1 0 293.407 2.089 10 0 CEAERO OC[C@@]1([NH2+]C2CC2)CCC[C@H]1CCOCC(F)(F)F ZINC000093620720 184697187 /nfs/dbraw/zinc/69/71/87/184697187.db2.gz ULBFCHAOLSKOJM-JQWIXIFHSA-N 1 0 281.318 2.239 10 0 CEAERO C[NH2+][C@H](C[C@H]1CCCN(S(C)(=O)=O)C1)CC(C)(C)C ZINC000093700321 184707847 /nfs/dbraw/zinc/70/78/47/184707847.db2.gz NHEFHZYCXAHCLS-CHWSQXEVSA-N 1 0 290.473 2.072 10 0 CEAERO C[NH2+][C@H](C)CC(C)(C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093702352 184707889 /nfs/dbraw/zinc/70/78/89/184707889.db2.gz UHUDBAXZSOSJQI-OLZOCXBDSA-N 1 0 290.473 2.072 10 0 CEAERO CCC[NH2+][C@@]1(CO)CCC[C@H](n2cc(Cl)cn2)C1 ZINC000093784198 184720961 /nfs/dbraw/zinc/72/09/61/184720961.db2.gz IJDOXOXPPSERKL-STQMWFEESA-N 1 0 271.792 2.382 10 0 CEAERO CC[NH2+][C@@]1(CO)CCC[C@@H](OCCOc2ccccc2)C1 ZINC000093785040 184721972 /nfs/dbraw/zinc/72/19/72/184721972.db2.gz HSJAQOHXFTUPFV-SJORKVTESA-N 1 0 293.407 2.365 10 0 CEAERO OC[C@@]1([NH2+]C2CC2)CCC[C@@H](Oc2ccccc2)C1 ZINC000093785581 184722230 /nfs/dbraw/zinc/72/22/30/184722230.db2.gz KVSXKSLJSVPNPI-HZPDHXFCSA-N 1 0 261.365 2.491 10 0 CEAERO C[NH2+][C@H](c1cc(C)ccc1OC)[C@H]1CN(C(C)C)CCO1 ZINC000093927179 184744005 /nfs/dbraw/zinc/74/40/05/184744005.db2.gz IYRTXCJZARABGB-IAGOWNOFSA-N 1 0 292.423 2.373 10 0 CEAERO CC[NH2+][C@H](c1ccccc1OC)[C@H]1CN(C(C)C)CCO1 ZINC000093927396 184744484 /nfs/dbraw/zinc/74/44/84/184744484.db2.gz UNZVRSQRTYPXPG-IAGOWNOFSA-N 1 0 292.423 2.455 10 0 CEAERO NC(=[NH2+])[C@@H]1CN(Cc2ccc(Cl)cc2Cl)CCO1 ZINC000093936722 184745040 /nfs/dbraw/zinc/74/50/40/184745040.db2.gz YJGDGZDMZYNPCZ-NSHDSACASA-N 1 0 288.178 2.130 10 0 CEAERO NC(=[NH2+])[C@@H]1CN(Cc2ccc(Cl)c(Cl)c2)CCO1 ZINC000093936665 184745133 /nfs/dbraw/zinc/74/51/33/184745133.db2.gz ONEWVVFULKQPNB-NSHDSACASA-N 1 0 288.178 2.130 10 0 CEAERO C[NH+](C)C(C)(C)COc1ccc(C(N)=S)cc1F ZINC000093955133 184745702 /nfs/dbraw/zinc/74/57/02/184745702.db2.gz VIUKINHAOYDBEX-UHFFFAOYSA-N 1 0 270.373 2.179 10 0 CEAERO CCN(CC1CC[NH2+]CC1)C(=O)c1cccs1 ZINC000094022511 184750094 /nfs/dbraw/zinc/75/00/94/184750094.db2.gz IJQXTLNWXMYKOU-UHFFFAOYSA-N 1 0 252.383 2.210 10 0 CEAERO CCN(CC1CC[NH2+]CC1)C(=O)c1c(F)cccc1OC ZINC000094022237 184750433 /nfs/dbraw/zinc/75/04/33/184750433.db2.gz IZKUSNRHINNSRO-UHFFFAOYSA-N 1 0 294.370 2.296 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1c1nc(-c2ccc(F)cn2)no1 ZINC000094044228 184752226 /nfs/dbraw/zinc/75/22/26/184752226.db2.gz CHNBSOTVUKLXIT-ZJUUUORDSA-N 1 0 262.288 2.256 10 0 CEAERO COC(=O)c1ccc(NC2CCC([NH3+])CC2)c(C)c1 ZINC000094080233 184753797 /nfs/dbraw/zinc/75/37/97/184753797.db2.gz SIZFYJOHWWGASL-UHFFFAOYSA-N 1 0 262.353 2.463 10 0 CEAERO CCc1ccc(C[C@@H]([NH3+])[C@](C)(CC)N2CCOCC2)nc1 ZINC000094138085 184755673 /nfs/dbraw/zinc/75/56/73/184755673.db2.gz ZCPPQQSMCLVIAB-SJORKVTESA-N 1 0 291.439 2.015 10 0 CEAERO CCn1ccnc1C[C@H](N)[C@](C)(CC)[NH+]1CCCCC1 ZINC000094163324 184758158 /nfs/dbraw/zinc/75/81/58/184758158.db2.gz GINNPWLEBKCOJE-HOCLYGCPSA-N 1 0 278.444 2.427 10 0 CEAERO CC[NH2+][C@H](COC)Cc1nc2ccccc2n1CC ZINC000094170988 184759262 /nfs/dbraw/zinc/75/92/62/184759262.db2.gz ZSUWUGXUKJOCFA-LBPRGKRZSA-N 1 0 261.369 2.223 10 0 CEAERO CCn1c(C[C@H]([NH3+])C[C@H]2CCCO2)nc2ccccc21 ZINC000094170658 184759266 /nfs/dbraw/zinc/75/92/66/184759266.db2.gz QRVMMOQOBAACMI-CHWSQXEVSA-N 1 0 273.380 2.495 10 0 CEAERO [NH3+]CCc1ccc(OCCc2ccc3c(c2)CCO3)cn1 ZINC000094215350 184763975 /nfs/dbraw/zinc/76/39/75/184763975.db2.gz MIDMDPAREBJPAV-UHFFFAOYSA-N 1 0 284.359 2.139 10 0 CEAERO C[NH2+][C@@H](Cc1nc2ccccc2s1)[C@@H](C)OC ZINC000094251569 184769892 /nfs/dbraw/zinc/76/98/92/184769892.db2.gz ZZESPZQHYWVYNP-KOLCDFICSA-N 1 0 250.367 2.462 10 0 CEAERO Cc1nc(C)c([C@@H](C)Nc2ccc(N)c(N)[nH+]2)s1 ZINC000094260184 184770862 /nfs/dbraw/zinc/77/08/62/184770862.db2.gz BLHSWHBBQATUAB-SSDOTTSWSA-N 1 0 263.370 2.492 10 0 CEAERO CC[C@@H](CC[NH3+])CCc1nc2nc(N(C)C)ccc2[nH]1 ZINC000094262986 184770886 /nfs/dbraw/zinc/77/08/86/184770886.db2.gz FJCYJSOPEVZWQX-LLVKDONJSA-N 1 0 275.400 2.283 10 0 CEAERO COc1ccccc1S(=O)(=O)[C@H]1CCCC(C)(C)[C@@H]1[NH3+] ZINC000094281937 184774894 /nfs/dbraw/zinc/77/48/94/184774894.db2.gz JRADZYQIMZBABI-UONOGXRCSA-N 1 0 297.420 2.375 10 0 CEAERO CC(C)(C)N1CC[NH+]([C@H]2CCCC(C)(C)[C@@H]2O)CC1 ZINC000094280232 184775175 /nfs/dbraw/zinc/77/51/75/184775175.db2.gz GPBJURDHVXXNJC-UONOGXRCSA-N 1 0 268.445 2.342 10 0 CEAERO COC(=O)C[C@](C)([NH3+])c1cccc(C(F)(F)F)c1 ZINC000094290044 184776670 /nfs/dbraw/zinc/77/66/70/184776670.db2.gz BYIIGMJECNREFS-NSHDSACASA-N 1 0 261.243 2.442 10 0 CEAERO Cc1cc(NC(=O)CC2([NH3+])CCC2)ncc1Br ZINC000094295791 184777666 /nfs/dbraw/zinc/77/76/66/184777666.db2.gz DIZFYFQLKDMUFJ-UHFFFAOYSA-N 1 0 298.184 2.363 10 0 CEAERO CCC[NH2+][C@H]1[C@H](Sc2nncn2C)CCC1(C)C ZINC000094312977 184779781 /nfs/dbraw/zinc/77/97/81/184779781.db2.gz WJGVMECKFZGTIG-MNOVXSKESA-N 1 0 268.430 2.464 10 0 CEAERO C[C@H]([NH3+])Cc1cc(F)c(O[C@H]2CCOC2)c(F)c1 ZINC000094350011 184786698 /nfs/dbraw/zinc/78/66/98/184786698.db2.gz SHRIROYQEPZXGE-WPRPVWTQSA-N 1 0 257.280 2.022 10 0 CEAERO C([NH2+][C@@H]1CCOC2(CCSCC2)C1)[C@H]1CCOC1 ZINC000094368912 184790180 /nfs/dbraw/zinc/79/01/80/184790180.db2.gz XWZOPOCRHOEKRQ-CHWSQXEVSA-N 1 0 271.426 2.057 10 0 CEAERO C(O[C@@H]1CCO[C@@]2(CCSC2)C1)C1CC[NH2+]CC1 ZINC000094380825 184791796 /nfs/dbraw/zinc/79/17/96/184791796.db2.gz RTVIVHZAFQIHNP-KGLIPLIRSA-N 1 0 271.426 2.057 10 0 CEAERO COC[C@](C)([NH3+])[C@H]1CCOC2(CCSCC2)C1 ZINC000094390897 184792785 /nfs/dbraw/zinc/79/27/85/184792785.db2.gz LNRUNGAOPZUWFQ-RYUDHWBXSA-N 1 0 259.415 2.043 10 0 CEAERO CC[NH+](CC)C(C)(C)[C@H](O)[C@H]1CCOC2(CCOCC2)C1 ZINC000094396704 184793303 /nfs/dbraw/zinc/79/33/03/184793303.db2.gz VXTXEYJBGNJTOP-LSDHHAIUSA-N 1 0 299.455 2.444 10 0 CEAERO CCOC[C@@H]([NH3+])[C@@H]1CCOC2(CCSCC2)C1 ZINC000094406208 184793999 /nfs/dbraw/zinc/79/39/99/184793999.db2.gz NYOZQUNDJHOLJP-VXGBXAGGSA-N 1 0 259.415 2.043 10 0 CEAERO CC(C)(C)[NH2+]C[C@@](C)(O)[C@@H]1CCOC2(CCOCC2)C1 ZINC000094418935 184795229 /nfs/dbraw/zinc/79/52/29/184795229.db2.gz QVPVFQCQJLQMPK-UKRRQHHQSA-N 1 0 285.428 2.101 10 0 CEAERO C[C@@H](CNc1ccc2nccnc2n1)[NH+]1CCCCC1 ZINC000094726006 184847678 /nfs/dbraw/zinc/84/76/78/184847678.db2.gz WMGIVRTWVKKPJK-LBPRGKRZSA-N 1 0 271.368 2.311 10 0 CEAERO CC(C)Oc1ncnc(NCC[NH+](C(C)C)C(C)C)c1N ZINC000094733221 184849287 /nfs/dbraw/zinc/84/92/87/184849287.db2.gz LGMZRFUMNPEWBY-UHFFFAOYSA-N 1 0 295.431 2.377 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1c1nc(-c2ccc(Cl)cn2)no1 ZINC000094842543 184879429 /nfs/dbraw/zinc/87/94/29/184879429.db2.gz PSFLBGWSWBRZRX-RKDXNWHRSA-N 1 0 264.716 2.380 10 0 CEAERO C[NH2+][C@@H](c1ccc2c(c1)CC(=O)N2)[C@]1(C)CCCO1 ZINC000094788242 184864668 /nfs/dbraw/zinc/86/46/68/184864668.db2.gz KXCRRGSCOPQUJI-GJZGRUSLSA-N 1 0 260.337 2.011 10 0 CEAERO CC(C)(C)[NH2+]Cc1cncn1C[C@]1(C)CCCO1 ZINC000094815396 184872607 /nfs/dbraw/zinc/87/26/07/184872607.db2.gz DNKATJCAXVUQGF-AWEZNQCLSA-N 1 0 251.374 2.340 10 0 CEAERO CCC[C@@H]([NH3+])Cc1nc(CCC(F)(F)F)no1 ZINC000094494120 184809877 /nfs/dbraw/zinc/80/98/77/184809877.db2.gz SXCISVNOOFFMPZ-SSDOTTSWSA-N 1 0 251.252 2.234 10 0 CEAERO CC[NH2+][C@H](Cc1nc([C@@H]2CSCCO2)no1)C(C)C ZINC000094505860 184812140 /nfs/dbraw/zinc/81/21/40/184812140.db2.gz NQZSNMBMGYTJED-MNOVXSKESA-N 1 0 285.413 2.051 10 0 CEAERO CSc1ccc(C(=O)N2C[C@@H](C)C[C@H]([NH3+])C2)cc1 ZINC000094548691 184815557 /nfs/dbraw/zinc/81/55/57/184815557.db2.gz AGONIGDRUQGWDO-JQWIXIFHSA-N 1 0 264.394 2.218 10 0 CEAERO COc1ccc2nc([C@@H]3CC[C@@H](C[NH3+])O3)sc2c1 ZINC000094560642 184817460 /nfs/dbraw/zinc/81/74/60/184817460.db2.gz YWFMGFHXLFTOOE-ONGXEEELSA-N 1 0 264.350 2.484 10 0 CEAERO [NH3+]C[C@@H]1CC[C@H](C(=O)Nc2c(Cl)cccc2Cl)O1 ZINC000094572787 184821835 /nfs/dbraw/zinc/82/18/35/184821835.db2.gz QNHZHIPJFCIBOV-OIBJUYFYSA-N 1 0 289.162 2.438 10 0 CEAERO COc1ccc(C[C@@H]([NH3+])Cc2cccc(F)c2)cn1 ZINC000094632351 184829971 /nfs/dbraw/zinc/82/99/71/184829971.db2.gz JAQMYYDGYYPCRH-AWEZNQCLSA-N 1 0 260.312 2.342 10 0 CEAERO COc1ccc(Cc2ncc(C[NH2+]C(C)(C)C)cn2)cn1 ZINC000094633650 184830217 /nfs/dbraw/zinc/83/02/17/184830217.db2.gz JUGBJTLCQWHHLX-UHFFFAOYSA-N 1 0 286.379 2.359 10 0 CEAERO COCc1cccc(NC(=O)[C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000094647602 184834053 /nfs/dbraw/zinc/83/40/53/184834053.db2.gz SRLIEMBZZCNIHD-RISCZKNCSA-N 1 0 262.353 2.160 10 0 CEAERO COc1cc(C[NH3+])cc(OC)c1OCc1cccc(O)c1 ZINC000094692112 184840571 /nfs/dbraw/zinc/84/05/71/184840571.db2.gz RILWWLNMEZLNBW-UHFFFAOYSA-N 1 0 289.331 2.447 10 0 CEAERO CCN(C(=O)Cc1cccc(F)c1F)[C@@H]1CCC[NH2+]C1 ZINC000094712054 184845379 /nfs/dbraw/zinc/84/53/79/184845379.db2.gz OIDJKNUXKOQWGY-GFCCVEGCSA-N 1 0 282.334 2.108 10 0 CEAERO C[NH2+][C@H](C)c1ccnc(N(C)[C@@H]2CCSC2)c1 ZINC000094998222 184911826 /nfs/dbraw/zinc/91/18/26/184911826.db2.gz ULKQGHNMYHFGPZ-ZYHUDNBSSA-N 1 0 251.399 2.304 10 0 CEAERO CC[NH2+][C@H](C)c1ccnc(N(C)CCCOC)c1 ZINC000094999630 184912135 /nfs/dbraw/zinc/91/21/35/184912135.db2.gz SKDKPRHGNPECLX-GFCCVEGCSA-N 1 0 251.374 2.225 10 0 CEAERO [NH3+]CCCN(C(=O)C[C@@H]1CCCCO1)c1ccccc1F ZINC000095030537 184918238 /nfs/dbraw/zinc/91/82/38/184918238.db2.gz FHLZTBRKXRBQEY-ZDUSSCGKSA-N 1 0 294.370 2.467 10 0 CEAERO O=C(Cc1ccc(F)cc1F)N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000095067597 184930610 /nfs/dbraw/zinc/93/06/10/184930610.db2.gz JTIDGZHADHEREL-LSDHHAIUSA-N 1 0 294.345 2.250 10 0 CEAERO CNc1nc2ccccc2nc1N(C)CC1CC[NH2+]CC1 ZINC000095071353 184933059 /nfs/dbraw/zinc/93/30/59/184933059.db2.gz ZYQVWSNXOWFFGW-UHFFFAOYSA-N 1 0 285.395 2.107 10 0 CEAERO CCC[NH2+]CCS(=O)(=O)N(CC(C)C)C1CCCC1 ZINC000094852731 184880894 /nfs/dbraw/zinc/88/08/94/184880894.db2.gz DJBWYHRMUOMKFA-UHFFFAOYSA-N 1 0 290.473 2.216 10 0 CEAERO CCC[NH2+][C@H](CO)CN(C)C1CCC(C)(C)CC1 ZINC000094862407 184883075 /nfs/dbraw/zinc/88/30/75/184883075.db2.gz CQNDTKFRAXLWMA-ZDUSSCGKSA-N 1 0 256.434 2.248 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@H]1Nc1ncnc2c1CCCC2 ZINC000094872488 184885767 /nfs/dbraw/zinc/88/57/67/184885767.db2.gz BNZDMIRZTRGLHB-TZMCWYRMSA-N 1 0 260.385 2.427 10 0 CEAERO Cc1cscc1CNC(=O)CC[C@H](C)CC[NH3+] ZINC000094877249 184886653 /nfs/dbraw/zinc/88/66/53/184886653.db2.gz RIUGYOJIRALEEM-JTQLQIEISA-N 1 0 254.399 2.438 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1cnn(C)c1)N(CC)Cc1ccccn1 ZINC000094911116 184891055 /nfs/dbraw/zinc/89/10/55/184891055.db2.gz PNMWBWSZOIZYER-HZPDHXFCSA-N 1 0 287.411 2.116 10 0 CEAERO Cc1ccc(C(=O)N2CCC[C@@H]2CCC[NH3+])c(F)c1 ZINC000094925447 184894596 /nfs/dbraw/zinc/89/45/96/184894596.db2.gz QOLOXEWHXAYKGN-LBPRGKRZSA-N 1 0 264.344 2.478 10 0 CEAERO C[NH2+][C@@H]1CCCCC[C@@H]1c1nc(-c2ncc[nH]2)no1 ZINC000094940671 184897040 /nfs/dbraw/zinc/89/70/40/184897040.db2.gz STKHJVXDGPYRMX-VHSXEESVSA-N 1 0 261.329 2.095 10 0 CEAERO CC[NH2+][C@H]1CCCCC[C@@H]1c1nc(-c2ncc[nH]2)no1 ZINC000094940787 184898381 /nfs/dbraw/zinc/89/83/81/184898381.db2.gz QWZXBCUAHLOQPA-QWRGUYRKSA-N 1 0 275.356 2.486 10 0 CEAERO CC[C@@H](CCO)C[NH2+]C[C@@H](O)c1cc(C)ccc1OC ZINC000094954050 184902708 /nfs/dbraw/zinc/90/27/08/184902708.db2.gz ZMKWIVMRRRGAAD-DZGCQCFKSA-N 1 0 281.396 2.035 10 0 CEAERO CC[C@@H](CC[NH3+])CNC(=O)CCOc1cccc(C)c1 ZINC000094961737 184906125 /nfs/dbraw/zinc/90/61/25/184906125.db2.gz IHLKPGHWIONNKQ-AWEZNQCLSA-N 1 0 278.396 2.255 10 0 CEAERO C[C@@H](NCc1ccn(Cc2ccccc2)n1)[C@H]1CC[NH2+]C1 ZINC000400509573 533463432 /nfs/dbraw/zinc/46/34/32/533463432.db2.gz FEKAPIUSMXMSHP-ZBFHGGJFSA-N 1 0 284.407 2.019 10 0 CEAERO C[C@@H]1CCc2ccccc2N1C(=O)[C@]1(C)CCC[NH2+]1 ZINC000079510119 134491914 /nfs/dbraw/zinc/49/19/14/134491914.db2.gz ZQYXIDXWIBPJGD-WBMJQRKESA-N 1 0 258.365 2.496 10 0 CEAERO O[C@H](C[C@@H]1CCC[NH2+]C1)CN1CCCc2ccccc21 ZINC000001688975 134637750 /nfs/dbraw/zinc/63/77/50/134637750.db2.gz SIRJWXUJMCZVAW-GOEBONIOSA-N 1 0 274.408 2.190 10 0 CEAERO Cc1cccc(N2CCN(CC[NH2+]C(C)C)CC2)c1 ZINC000037610417 134845603 /nfs/dbraw/zinc/84/56/03/134845603.db2.gz BNZCROXORBYTHW-UHFFFAOYSA-N 1 0 261.413 2.115 10 0 CEAERO C[NH2+]CC[C@H]1CCCCN1c1cncc(OC(C)C)n1 ZINC000071176392 134959503 /nfs/dbraw/zinc/95/95/03/134959503.db2.gz ZDOGKBFAKUUGPE-CYBMUJFWSA-N 1 0 278.400 2.232 10 0 CEAERO COc1cncc(N2CCCC[C@@H]2C[NH2+]CC(C)C)n1 ZINC000071176910 134959948 /nfs/dbraw/zinc/95/99/48/134959948.db2.gz UHWUDIWDKZAYLM-CYBMUJFWSA-N 1 0 278.400 2.090 10 0 CEAERO CC(C)[NH2+][C@@H](CO)CCN1CCCc2ccccc21 ZINC000085239000 135035462 /nfs/dbraw/zinc/03/54/62/135035462.db2.gz IUWQWECBYAGMMU-OAHLLOKOSA-N 1 0 262.397 2.188 10 0 CEAERO C[C@@H]1CCc2ccccc2N1C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085355390 135036149 /nfs/dbraw/zinc/03/61/49/135036149.db2.gz UXGZUBIUPNYBHB-BNOWGMLFSA-N 1 0 258.365 2.482 10 0 CEAERO C[C@H]1CCC[C@]1(C[NH3+])N1CCN(C)c2ccccc21 ZINC000086677321 135048458 /nfs/dbraw/zinc/04/84/58/135048458.db2.gz DRCJUQAFBFOBEX-XJKSGUPXSA-N 1 0 259.397 2.460 10 0 CEAERO C[C@H](CCC[C@H](C)[NH3+])C(=O)N1CC(=O)Nc2ccccc21 ZINC000087683756 135050769 /nfs/dbraw/zinc/05/07/69/135050769.db2.gz PCRHNFJAZIZVCG-NEPJUHHUSA-N 1 0 289.379 2.125 10 0 CEAERO CC[NH2+][C@H](C)[C@@H]1CCCCN1c1nc(C)cnc1C ZINC000088057509 135052525 /nfs/dbraw/zinc/05/25/25/135052525.db2.gz ZKFOZWNONWGCNU-OCCSQVGLSA-N 1 0 262.401 2.450 10 0 CEAERO NC(=S)CC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000088256862 135053614 /nfs/dbraw/zinc/05/36/14/135053614.db2.gz DNTINGUQJNWPQG-UHFFFAOYSA-N 1 0 289.448 2.265 10 0 CEAERO Cc1nnc(N2CCC[C@H](C(F)(F)F)C2)c(C[NH3+])c1C ZINC000088416167 135054238 /nfs/dbraw/zinc/05/42/38/135054238.db2.gz ZYVVHXBFXWRHBL-JTQLQIEISA-N 1 0 288.317 2.331 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C(=O)N2CCCc3ccccc32)C1 ZINC000088449519 135054679 /nfs/dbraw/zinc/05/46/79/135054679.db2.gz NRSGLZKABBFCKE-TZMCWYRMSA-N 1 0 258.365 2.211 10 0 CEAERO CC[NH2+]C[C@@H](C)S(=O)(=O)N1CCCc2cc(C)ccc21 ZINC000088928884 135057643 /nfs/dbraw/zinc/05/76/43/135057643.db2.gz ZQWZAVHIRHOVOM-CYBMUJFWSA-N 1 0 296.436 2.075 10 0 CEAERO CC[NH2+]C[C@H](C)S(=O)(=O)N1CCCc2cc(C)ccc21 ZINC000088928886 135057729 /nfs/dbraw/zinc/05/77/29/135057729.db2.gz ZQWZAVHIRHOVOM-ZDUSSCGKSA-N 1 0 296.436 2.075 10 0 CEAERO Cc1ccc2c(c1)CCCN2C[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090606473 135063529 /nfs/dbraw/zinc/06/35/29/135063529.db2.gz DJEJXTLSMXYUIU-HOTGVXAUSA-N 1 0 260.381 2.111 10 0 CEAERO CCOc1cc(N2CCC(C[NH2+]C(C)(C)C)CC2)ncn1 ZINC000090784589 135064616 /nfs/dbraw/zinc/06/46/16/135064616.db2.gz XJIADXWDUZOMCI-UHFFFAOYSA-N 1 0 292.427 2.480 10 0 CEAERO CC(C)Oc1cc(N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ncn1 ZINC000090786041 135065046 /nfs/dbraw/zinc/06/50/46/135065046.db2.gz OTATYHZWESQJHB-KBPBESRZSA-N 1 0 290.411 2.232 10 0 CEAERO CCOc1ncnc(N2CC[NH2+]CC23CCCCC3)c1C ZINC000090789694 135065564 /nfs/dbraw/zinc/06/55/64/135065564.db2.gz CBUMQLCCTDUUMB-UHFFFAOYSA-N 1 0 290.411 2.296 10 0 CEAERO Cc1ccc(C(N)=S)c(N2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000091395087 135068769 /nfs/dbraw/zinc/06/87/69/135068769.db2.gz VMSUFTUOPMIKPL-GFCCVEGCSA-N 1 0 277.437 2.160 10 0 CEAERO CC[C@@H]1CCCN(c2cncc(C[NH2+]C3CC3)n2)C1 ZINC000091419457 135069426 /nfs/dbraw/zinc/06/94/26/135069426.db2.gz GGFIBYZWJVYCIO-GFCCVEGCSA-N 1 0 260.385 2.355 10 0 CEAERO CCCO[C@H]1CCCN(c2cncc(C[NH2+]C(C)C)n2)C1 ZINC000091421006 135069509 /nfs/dbraw/zinc/06/95/09/135069509.db2.gz RQFXBXHIUCQJDH-HNNXBMFYSA-N 1 0 292.427 2.370 10 0 CEAERO CSC1(C[NH3+])CCN(c2ncnc3ccccc32)CC1 ZINC000091471087 135070353 /nfs/dbraw/zinc/07/03/53/135070353.db2.gz OMYZUGVVKCGXGY-UHFFFAOYSA-N 1 0 288.420 2.291 10 0 CEAERO C[C@@H]1CCCN(C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)C1 ZINC000091991329 135074608 /nfs/dbraw/zinc/07/46/08/135074608.db2.gz UUGNNDDHXFARII-OCCSQVGLSA-N 1 0 273.380 2.228 10 0 CEAERO NNc1cccc(CN2CCCc3ccccc32)[nH+]1 ZINC000092369966 135076295 /nfs/dbraw/zinc/07/62/95/135076295.db2.gz AHWCAFUPDKWXBN-UHFFFAOYSA-N 1 0 254.337 2.320 10 0 CEAERO C[C@H](C[C@H]1CCC[NH2+]1)Nc1ccc(N2CCOCC2)cc1 ZINC000093462722 135080983 /nfs/dbraw/zinc/08/09/83/135080983.db2.gz NUHRZYJHRFXLTA-GDBMZVCRSA-N 1 0 289.423 2.466 10 0 CEAERO CC[C@H](C)[NH+]1CCN(c2ccc([C@@H](C)O)c(O)c2)CC1 ZINC000093672548 135082006 /nfs/dbraw/zinc/08/20/06/135082006.db2.gz GKSYMZHEADGRLG-QWHCGFSZSA-N 1 0 278.396 2.366 10 0 CEAERO C[NH2+][C@]1(CO)CC[C@@H](N2CCCc3cc(C)ccc32)C1 ZINC000093855508 135082784 /nfs/dbraw/zinc/08/27/84/135082784.db2.gz ODKAQHVNQXDDLF-NVXWUHKLSA-N 1 0 274.408 2.251 10 0 CEAERO C[C@H]1OCC[C@]1(O)C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000300423705 394456928 /nfs/dbraw/zinc/45/69/28/394456928.db2.gz JSTHAGAZQJFZKI-CXTNEJHOSA-N 1 0 255.402 2.331 10 0 CEAERO CC(C)N1C[C@H]([NH2+][C@H](C)CC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000246135026 394509471 /nfs/dbraw/zinc/50/94/71/394509471.db2.gz AGYHKWFBOPPCNZ-MJBXVCDLSA-N 1 0 284.444 2.425 10 0 CEAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)OCC(F)(F)F ZINC000252662039 394572935 /nfs/dbraw/zinc/57/29/35/394572935.db2.gz SYLNSGJFFGIYKB-UWVGGRQHSA-N 1 0 280.290 2.244 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](n2c(=O)[nH]c3ccccc3c2=O)C1 ZINC000253552287 394578405 /nfs/dbraw/zinc/57/84/05/394578405.db2.gz UYPYAELOYPVIQI-BXUZGUMPSA-N 1 0 287.363 2.003 10 0 CEAERO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1ncc(N)s1 ZINC000306787164 394518065 /nfs/dbraw/zinc/51/80/65/394518065.db2.gz QCRPTMOLOZTZKT-GFCCVEGCSA-N 1 0 288.420 2.436 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1occc1C ZINC000246900295 394523006 /nfs/dbraw/zinc/52/30/06/394523006.db2.gz HNBXGJWOZKREAQ-STQMWFEESA-N 1 0 262.353 2.287 10 0 CEAERO C[C@@H]1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)[C@H]1C ZINC000247003323 394524903 /nfs/dbraw/zinc/52/49/03/394524903.db2.gz RFAYVSSZLVTJSB-YCPHGPKFSA-N 1 0 274.408 2.416 10 0 CEAERO CC(C)OCCCN1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000310558258 394534945 /nfs/dbraw/zinc/53/49/45/394534945.db2.gz AJAVIALXPAULHR-CABCVRRESA-N 1 0 254.418 2.360 10 0 CEAERO CC(C)OCCCN1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000310558259 394535318 /nfs/dbraw/zinc/53/53/18/394535318.db2.gz AJAVIALXPAULHR-GJZGRUSLSA-N 1 0 254.418 2.360 10 0 CEAERO C[C@](O)(C[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O)C(F)(F)F ZINC000312765259 394542482 /nfs/dbraw/zinc/54/24/82/394542482.db2.gz YWCZDTZLCCULOP-LOWDOPEQSA-N 1 0 295.345 2.315 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(C)n1 ZINC000248773851 394547150 /nfs/dbraw/zinc/54/71/50/394547150.db2.gz HLPMBUQJTIUMLO-KGLIPLIRSA-N 1 0 288.395 2.481 10 0 CEAERO C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@H](O)C(C)(C)C ZINC000324311036 394550065 /nfs/dbraw/zinc/55/00/65/394550065.db2.gz ZGBYCDYKMCCNGZ-NEPJUHHUSA-N 1 0 288.432 2.144 10 0 CEAERO CC(C)(C)CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000261971519 394610497 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CGOZYHPVINKAEQ-UHFFFAOYSA-N 1 0 279.771 2.300 10 0 CEAERO O[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@@H](N3CCCC3)C2)C1 ZINC000389109271 400536038 /nfs/dbraw/zinc/53/60/38/400536038.db2.gz PPMQLQPIGVKROB-ARFHVFGLSA-N 1 0 266.429 2.098 10 0 CEAERO Cc1cc(C(C)C)nc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)n1 ZINC000389399332 400538363 /nfs/dbraw/zinc/53/83/63/400538363.db2.gz IKCZMEMBKAWMEG-CHWSQXEVSA-N 1 0 260.385 2.097 10 0 CEAERO C[C@@H](COCc1ccccc1)[NH2+]C[C@@H](O)C(F)(F)F ZINC000390693236 400540846 /nfs/dbraw/zinc/54/08/46/400540846.db2.gz BCQMRNGZBWMJNQ-CMPLNLGQSA-N 1 0 277.286 2.105 10 0 CEAERO C[C@@H](COCc1ccccc1)[NH2+]C[C@](C)(O)C(F)(F)F ZINC000390634310 400541129 /nfs/dbraw/zinc/54/11/29/400541129.db2.gz CHZYGHDLQRZTSO-AAEUAGOBSA-N 1 0 291.313 2.495 10 0 CEAERO C[C@H](NC(=O)[C@@H]([NH3+])C1CCC1)c1cc(F)ccc1F ZINC000398972705 400562894 /nfs/dbraw/zinc/56/28/94/400562894.db2.gz XGVIHSRPUOZJKQ-SDBXPKJASA-N 1 0 268.307 2.269 10 0 CEAERO OCCN1CCC([NH2+][C@H](C2CC2)C2CCCC2)CC1 ZINC000651297125 401309066 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ZINC000180163465 286359515 /nfs/dbraw/zinc/35/95/15/286359515.db2.gz XPKJYQHUCZOMEY-IRXDYDNUSA-N 1 0 292.423 2.313 10 0 CEAERO Cc1n[nH]c(C)c1CCC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000194917264 153269572 /nfs/dbraw/zinc/26/95/72/153269572.db2.gz NREDHSNLNRSRQR-CQSZACIVSA-N 1 0 294.443 2.052 10 0 CEAERO O=C(CCCOc1ccccc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195313425 153282761 /nfs/dbraw/zinc/28/27/61/153282761.db2.gz HFFMYLNLGVIIRV-HNNXBMFYSA-N 1 0 288.391 2.152 10 0 CEAERO CCC(CC)NC(=O)[C@@H](C)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195507989 153294417 /nfs/dbraw/zinc/29/44/17/153294417.db2.gz NLBMWRGGVBEUIN-GFCCVEGCSA-N 1 0 292.427 2.282 10 0 CEAERO CC(C)(CCCO)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000224723095 153319605 /nfs/dbraw/zinc/31/96/05/153319605.db2.gz FNKMTQWIEXFGND-UPJWGTAASA-N 1 0 255.402 2.188 10 0 CEAERO CCN1CCC[C@H]([NH2+]Cc2ncc(Cl)s2)C1 ZINC000225328007 153324403 /nfs/dbraw/zinc/32/44/03/153324403.db2.gz YJMXWBBTJSFTLH-VIFPVBQESA-N 1 0 259.806 2.370 10 0 CEAERO Cc1cnc([C@H](C)N[C@@H](C)C(=O)NC2CCCC2)o1 ZINC000230643392 153395826 /nfs/dbraw/zinc/39/58/26/153395826.db2.gz YCTIEBFSJDPNMG-QWRGUYRKSA-N 1 0 265.357 2.081 10 0 CEAERO CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1(CC)CC ZINC000236887552 286373567 /nfs/dbraw/zinc/37/35/67/286373567.db2.gz BNTFPLTZQDIZPJ-YIYPIFLZSA-N 1 0 282.428 2.214 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC[C@H]1CC[C@@H](C)O1 ZINC000253550159 153745399 /nfs/dbraw/zinc/74/53/99/153745399.db2.gz ZREHDKOYQGEZBD-KLHDSHLOSA-N 1 0 294.439 2.419 10 0 CEAERO CC(=O)Nc1cccc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c1C ZINC000261745055 153826335 /nfs/dbraw/zinc/82/63/35/153826335.db2.gz MCUVWMXNGAWRLU-CHWSQXEVSA-N 1 0 289.379 2.267 10 0 CEAERO C[NH2+][C@H]1CCCN(Cc2nc3cc(F)ccc3o2)C1 ZINC000261781881 153839607 /nfs/dbraw/zinc/83/96/07/153839607.db2.gz PLHBNECQEYSSBJ-NSHDSACASA-N 1 0 263.316 2.151 10 0 CEAERO COc1ccc([C@H](C)C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261866311 153862471 /nfs/dbraw/zinc/86/24/71/153862471.db2.gz NPUXUSRKCYIDTK-SWLSCSKDSA-N 1 0 290.407 2.385 10 0 CEAERO C[C@@H]1CN(Cc2ccc(OCc3ccncc3)cc2)C[C@@H]1[NH3+] ZINC000261920022 153876809 /nfs/dbraw/zinc/87/68/09/153876809.db2.gz BMOKOTHASADRJT-KDOFPFPSSA-N 1 0 297.402 2.440 10 0 CEAERO CCOc1ccc(CN2C[C@H]([NH3+])[C@@H](C)C2)cc1OCC ZINC000262049556 153905225 /nfs/dbraw/zinc/90/52/25/153905225.db2.gz QAZYWIXOBIWBKV-JSGCOSHPSA-N 1 0 278.396 2.263 10 0 CEAERO C[C@H](C(=O)NCC1(c2cccc(Cl)c2)CC1)C1C[NH2+]C1 ZINC000262526675 153959009 /nfs/dbraw/zinc/95/90/09/153959009.db2.gz LLILPPCQPDNKGW-NSHDSACASA-N 1 0 292.810 2.343 10 0 CEAERO Cc1cccc(C(C)(C)NC(=O)[C@H](C)C2C[NH2+]C2)c1 ZINC000262581823 153963603 /nfs/dbraw/zinc/96/36/03/153963603.db2.gz UPNTYMPPIAEISM-GFCCVEGCSA-N 1 0 260.381 2.202 10 0 CEAERO C[NH2+]CCN(C)C(=O)[C@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000263078587 154016494 /nfs/dbraw/zinc/01/64/94/154016494.db2.gz CVDNMOCNNZTRHM-HOTGVXAUSA-N 1 0 290.407 2.141 10 0 CEAERO CC1CCC(Cc2nc([C@@H]3C[NH2+]CCN3C)no2)CC1 ZINC000263203123 154034124 /nfs/dbraw/zinc/03/41/24/154034124.db2.gz JHTOBOAIBJBUGJ-BPCQOVAHSA-N 1 0 278.400 2.015 10 0 CEAERO CN1CC[NH2+]C[C@H]1c1noc([C@H]2CCCc3ccccc32)n1 ZINC000263278635 154049626 /nfs/dbraw/zinc/04/96/26/154049626.db2.gz TWKXQGJHSSRXKK-GJZGRUSLSA-N 1 0 298.390 2.114 10 0 CEAERO CC(C)COc1ccc([C@@H](C)NC(=O)C2C[NH2+]C2)cc1 ZINC000263305259 154051850 /nfs/dbraw/zinc/05/18/50/154051850.db2.gz OHIZUGSLVSVSOM-GFCCVEGCSA-N 1 0 276.380 2.118 10 0 CEAERO O=C(NCC1(c2cccc(F)c2)CCCCC1)C1C[NH2+]C1 ZINC000263314464 154055185 /nfs/dbraw/zinc/05/51/85/154055185.db2.gz PWXMVSOSGLIRAF-UHFFFAOYSA-N 1 0 290.382 2.363 10 0 CEAERO O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)C1C[NH2+]C1 ZINC000263341743 154062529 /nfs/dbraw/zinc/06/25/29/154062529.db2.gz XSQHCAWKCLQOQT-CYBMUJFWSA-N 1 0 296.317 2.001 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+][C@@H]2CCC[C@@H](C)C2)C1 ZINC000263486600 154100073 /nfs/dbraw/zinc/10/00/73/154100073.db2.gz HNCLZGRQKKRPOF-IWMBGFJWSA-N 1 0 268.401 2.092 10 0 CEAERO COCCC[N@H+](C)CCNC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000246617019 292338508 /nfs/dbraw/zinc/33/85/08/292338508.db2.gz GXPDOOUTVOQHAQ-HOTGVXAUSA-N 1 0 296.455 2.287 10 0 CEAERO O[C@@]12CCCC[C@@H]1C[N@H+](CCOC1CCC1)CC2 ZINC000367737009 156231646 /nfs/dbraw/zinc/23/16/46/156231646.db2.gz JTICDMNTXSMCSA-UKRRQHHQSA-N 1 0 253.386 2.183 10 0 CEAERO COCCC[C@@H](C)C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000182274748 292377548 /nfs/dbraw/zinc/37/75/48/292377548.db2.gz YOZUBPIUXMRZDD-GDBMZVCRSA-N 1 0 292.423 2.468 10 0 CEAERO CCS[C@@H]1CCCC[C@H]1NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000175008674 286709924 /nfs/dbraw/zinc/70/99/24/286709924.db2.gz PRYWGMFZOATIEQ-BFHYXJOUSA-N 1 0 299.484 2.396 10 0 CEAERO [NH3+][C@@H]1CC[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2O)C1 ZINC000166458618 162349724 /nfs/dbraw/zinc/34/97/24/162349724.db2.gz VJWOAMARTWSHKQ-IONNQARKSA-N 1 0 288.269 2.477 10 0 CEAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](C[Si](C)(C)C)C2)n1 ZINC000171746522 162389096 /nfs/dbraw/zinc/38/90/96/162389096.db2.gz JIJGFJKKZYBHMG-AWEZNQCLSA-N 1 0 280.492 2.484 10 0 CEAERO C[C@@H]([NH3+])[C@H]1CCN(c2cncc(Br)c2)C1 ZINC000261536186 162541761 /nfs/dbraw/zinc/54/17/61/162541761.db2.gz QRGRLPMLAVZUEH-BDAKNGLRSA-N 1 0 270.174 2.018 10 0 CEAERO CC(C)[N@H+]1C[C@H](NS(=O)(=O)CCC(C)(C)C)[C@@H](C)C1 ZINC000173887417 165087294 /nfs/dbraw/zinc/08/72/94/165087294.db2.gz WYCVGIWVBJYVNX-STQMWFEESA-N 1 0 290.473 2.071 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCCCOC ZINC000174444562 165107825 /nfs/dbraw/zinc/10/78/25/165107825.db2.gz OVNHFTYCECKURU-LSDHHAIUSA-N 1 0 297.443 2.071 10 0 CEAERO CCC(CC)CS(=O)(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000175398086 165133284 /nfs/dbraw/zinc/13/32/84/165133284.db2.gz OGLLYSZANSPYJT-AWEZNQCLSA-N 1 0 290.473 2.169 10 0 CEAERO CC(C)[C@H](C)NC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000175525788 165138101 /nfs/dbraw/zinc/13/81/01/165138101.db2.gz LXGDGAWDCDBYEZ-AWEZNQCLSA-N 1 0 299.459 2.173 10 0 CEAERO CCCCc1noc(CN2CC[N@@H+]3CCCC[C@@H]3C2)n1 ZINC000177761952 165206723 /nfs/dbraw/zinc/20/67/23/165206723.db2.gz UUHIVYGPCICDTM-CYBMUJFWSA-N 1 0 278.400 2.082 10 0 CEAERO Cc1nccn1C[C@@H]1CCC[N@H+]1CCCOC(C)C ZINC000178331012 165233667 /nfs/dbraw/zinc/23/36/67/165233667.db2.gz OXXZVJHIDMUQJA-HNNXBMFYSA-N 1 0 265.401 2.471 10 0 CEAERO C[C@@H]([NH3+])CCNC(=O)c1cc(-c2cccc(Cl)c2)no1 ZINC000178655448 165251271 /nfs/dbraw/zinc/25/12/71/165251271.db2.gz NLCZFRIPFYPEAR-SECBINFHSA-N 1 0 293.754 2.462 10 0 CEAERO Cc1cc(C)c(C)c(OCCC(=O)NCC[C@@H](C)[NH3+])c1 ZINC000178631446 165253594 /nfs/dbraw/zinc/25/35/94/165253594.db2.gz JLLMNVJGDWUHAH-CYBMUJFWSA-N 1 0 278.396 2.234 10 0 CEAERO O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000178744376 165255884 /nfs/dbraw/zinc/25/58/84/165255884.db2.gz ZJXOOUMEYHVLPH-IHRRRGAJSA-N 1 0 278.783 2.312 10 0 CEAERO OC[C@H]1C[C@H](O)C[N@@H+]1Cc1sc2ccccc2c1Cl ZINC000179180097 165272037 /nfs/dbraw/zinc/27/20/37/165272037.db2.gz WENHXSYBBBNEGZ-ZJUUUORDSA-N 1 0 297.807 2.482 10 0 CEAERO COc1cc([C@H](C)[NH2+][C@@H]2CCc3ncnn3C2)ccc1F ZINC000180585342 165312965 /nfs/dbraw/zinc/31/29/65/165312965.db2.gz UULARGGWKLBEBI-CMPLNLGQSA-N 1 0 290.342 2.091 10 0 CEAERO COc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000180489275 165313676 /nfs/dbraw/zinc/31/36/76/165313676.db2.gz STEQOJKDBFYWIW-WCQYABFASA-N 1 0 298.814 2.330 10 0 CEAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cncc(F)c1)CC2 ZINC000180610339 165315835 /nfs/dbraw/zinc/31/58/35/165315835.db2.gz UAKUUMOAYVEFRH-GXFFZTMASA-N 1 0 289.358 2.040 10 0 CEAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)[C@@H](C)CC)CC2 ZINC000180623134 165317375 /nfs/dbraw/zinc/31/73/75/165317375.db2.gz LHVKFMNWUAVKIH-SDDRHHMPSA-N 1 0 250.390 2.180 10 0 CEAERO Cc1oncc1C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000181746058 165351725 /nfs/dbraw/zinc/35/17/25/165351725.db2.gz MIEIXBPQTPNIBT-CQSZACIVSA-N 1 0 259.309 2.031 10 0 CEAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3cnoc3C)C2)n1 ZINC000181691335 165354249 /nfs/dbraw/zinc/35/42/49/165354249.db2.gz MOXUDNRRPUVQLP-AWEZNQCLSA-N 1 0 289.383 2.104 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H](C)C1CC1 ZINC000245475300 287227910 /nfs/dbraw/zinc/22/79/10/287227910.db2.gz RUZOACDSFKYCCJ-BNOWGMLFSA-N 1 0 250.386 2.118 10 0 CEAERO CCOC(=O)c1ccc(NC[C@@H]2CCCC[NH2+]2)cc1 ZINC000004962449 170045738 /nfs/dbraw/zinc/04/57/38/170045738.db2.gz ASDCXLYVCIWULO-AWEZNQCLSA-N 1 0 262.353 2.417 10 0 CEAERO CCN(CC)C(=O)[C@]1(c2ccc(Cl)cc2)C[C@@H]1C[NH3+] ZINC000005649649 170124173 /nfs/dbraw/zinc/12/41/73/170124173.db2.gz NBBIANDDBKBHLU-DOMZBBRYSA-N 1 0 280.799 2.425 10 0 CEAERO COc1ccc(/C=C/C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]23)cc1 ZINC000005882761 170149785 /nfs/dbraw/zinc/14/97/85/170149785.db2.gz SBFIICJNXKHXND-GRLYAWNKSA-N 1 0 286.375 2.061 10 0 CEAERO CCCC[N@@H+]1Cc2cccc3[nH]c(=O)n(c32)C[C@H]1C ZINC000005973477 170164479 /nfs/dbraw/zinc/16/44/79/170164479.db2.gz YMZVHRRSDRGQNS-LLVKDONJSA-N 1 0 259.353 2.334 10 0 CEAERO Cc1ccc(S(=O)(=O)[C@H](C[NH3+])c2ccccc2)cc1 ZINC000008031125 170315202 /nfs/dbraw/zinc/31/52/02/170315202.db2.gz UNXFZIIZFGYAAQ-OAHLLOKOSA-N 1 0 275.373 2.469 10 0 CEAERO COc1cccc([C@@H](C[NH3+])S(=O)(=O)c2ccccc2)c1 ZINC000008037233 170315480 /nfs/dbraw/zinc/31/54/80/170315480.db2.gz WPPTVQFWYAZHIM-OAHLLOKOSA-N 1 0 291.372 2.169 10 0 CEAERO CCOc1cc(C[NH2+]C2CCC(O)CC2)ccc1O ZINC000019918490 170927378 /nfs/dbraw/zinc/92/73/78/170927378.db2.gz METZUGUGXOPGTG-UHFFFAOYSA-N 1 0 265.353 2.184 10 0 CEAERO C[C@@H]([NH3+])c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000020187955 171052554 /nfs/dbraw/zinc/05/25/54/171052554.db2.gz ZMKKCSGRNGCYBJ-GFCCVEGCSA-N 1 0 282.409 2.271 10 0 CEAERO CN(c1ccccc1)S(=O)(=O)c1ccc(F)c(C[NH3+])c1 ZINC000020189218 171054654 /nfs/dbraw/zinc/05/46/54/171054654.db2.gz SSCLYSZSWXQMLP-UHFFFAOYSA-N 1 0 294.351 2.110 10 0 CEAERO Cc1cc(C)c([C@H](C)[NH2+]CCOCCO)c(C)c1 ZINC000020198873 171062397 /nfs/dbraw/zinc/06/23/97/171062397.db2.gz YYJLLATTWSLZJB-AWEZNQCLSA-N 1 0 251.370 2.271 10 0 CEAERO C[N@@H+]1CCCN(c2ccc(Br)cc2N)CC1 ZINC000020217466 171079990 /nfs/dbraw/zinc/07/99/90/171079990.db2.gz PWIUFAFNNSLQJR-UHFFFAOYSA-N 1 0 284.201 2.173 10 0 CEAERO [NH3+]CCc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000020224430 171087267 /nfs/dbraw/zinc/08/72/67/171087267.db2.gz YARROWPFMREFNO-UHFFFAOYSA-N 1 0 284.315 2.169 10 0 CEAERO COc1ccccc1OCc1nc(CC[NH3+])cs1 ZINC000020399098 171181983 /nfs/dbraw/zinc/18/19/83/171181983.db2.gz HIOCLCDGWIPPNR-UHFFFAOYSA-N 1 0 264.350 2.232 10 0 CEAERO CCC(C)(C)OCC(=O)Nc1cccc(C[NH3+])c1 ZINC000020508857 171229683 /nfs/dbraw/zinc/22/96/83/171229683.db2.gz DWPLTBKDKDPAKH-UHFFFAOYSA-N 1 0 250.342 2.289 10 0 CEAERO O=C(Nc1ccc(F)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000020595474 171263947 /nfs/dbraw/zinc/26/39/47/171263947.db2.gz LQYBVGGJWOQVJT-MRVPVSSYSA-N 1 0 256.708 2.417 10 0 CEAERO CC[C@@H](C)[NH2+]Cc1cc(Cl)ccc1OCC(N)=O ZINC000020873344 171277275 /nfs/dbraw/zinc/27/72/75/171277275.db2.gz XCYHGVIZQYQJOE-SECBINFHSA-N 1 0 270.760 2.092 10 0 CEAERO C[C@@H]1CN(Cc2c[nH]c(-c3ccccc3)n2)CC[N@@H+]1C ZINC000020992421 171283867 /nfs/dbraw/zinc/28/38/67/171283867.db2.gz MZZQMNURTKQAOR-CYBMUJFWSA-N 1 0 270.380 2.213 10 0 CEAERO COc1ccc(NC(=O)CCC[NH+]2CCCC2)c(N)c1 ZINC000022152302 171359482 /nfs/dbraw/zinc/35/94/82/171359482.db2.gz WPRLKSPQCQBMRO-UHFFFAOYSA-N 1 0 277.368 2.092 10 0 CEAERO CC[NH+](CC)CC(=O)Nc1cc(Cl)ccc1N ZINC000022154638 171361183 /nfs/dbraw/zinc/36/11/83/171361183.db2.gz ODLKNQDFYZOGCN-UHFFFAOYSA-N 1 0 255.749 2.203 10 0 CEAERO COc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2C)c(N)c1 ZINC000022154343 171361456 /nfs/dbraw/zinc/36/14/56/171361456.db2.gz ZDCGZDNWERWOCA-NSHDSACASA-N 1 0 277.368 2.090 10 0 CEAERO C[NH+](C)CCC(=O)Nc1ccc(C(F)(F)F)cc1N ZINC000022167993 171366562 /nfs/dbraw/zinc/36/65/62/171366562.db2.gz KITXXNHSGDVZFN-UHFFFAOYSA-N 1 0 275.274 2.178 10 0 CEAERO CC[NH+](CC)CCCNC(=O)c1ccc(Cl)c(N)c1 ZINC000022168364 171366691 /nfs/dbraw/zinc/36/66/91/171366691.db2.gz ZZPAPHTWRWADCC-UHFFFAOYSA-N 1 0 283.803 2.384 10 0 CEAERO CC(C)[N@H+](C)[C@@H](C)C(=O)Nc1ccc(F)cc1N ZINC000022168933 171367213 /nfs/dbraw/zinc/36/72/13/171367213.db2.gz DWKUNKRHOPMIHB-VIFPVBQESA-N 1 0 253.321 2.075 10 0 CEAERO [NH3+]C[C@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000022173457 171369276 /nfs/dbraw/zinc/36/92/76/171369276.db2.gz RBPYRKOQYXOBEX-LBPRGKRZSA-N 1 0 259.305 2.177 10 0 CEAERO COc1ccc(C[NH3+])cc1Cn1cc(Br)cn1 ZINC000022200903 171372426 /nfs/dbraw/zinc/37/24/26/171372426.db2.gz MPSUUXQMTXHIPV-UHFFFAOYSA-N 1 0 296.168 2.161 10 0 CEAERO COc1cc(OC)c([C@@H](C[NH3+])N(C)C(C)C)cc1OC ZINC000022211193 171373512 /nfs/dbraw/zinc/37/35/12/171373512.db2.gz CYKNJGLKRZPCNM-GFCCVEGCSA-N 1 0 282.384 2.052 10 0 CEAERO Cc1ccccc1OCC(=O)Nc1ccccc1C[NH3+] ZINC000022216964 171375836 /nfs/dbraw/zinc/37/58/36/171375836.db2.gz QJFFXPVOTJZPTG-UHFFFAOYSA-N 1 0 270.332 2.471 10 0 CEAERO CC(C)[C@@](O)(C[NH3+])c1ccc(Br)cc1 ZINC000032110492 171702664 /nfs/dbraw/zinc/70/26/64/171702664.db2.gz JCGHFMLHMOLOTB-NSHDSACASA-N 1 0 258.159 2.251 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)C(=O)NCc1ccco1 ZINC000034937111 171896504 /nfs/dbraw/zinc/89/65/04/171896504.db2.gz PJJYQHZDRCONKK-SGMGOOAPSA-N 1 0 264.369 2.453 10 0 CEAERO C[NH2+]C[C@@H](O)COc1cc(C)ccc1C(C)(C)C ZINC000034958870 171904614 /nfs/dbraw/zinc/90/46/14/171904614.db2.gz OJLCMIQJEXSGDN-GFCCVEGCSA-N 1 0 251.370 2.252 10 0 CEAERO CCN(CC)C(=O)[C@H](C)[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000035206945 172052098 /nfs/dbraw/zinc/05/20/98/172052098.db2.gz TXMPAQFIKBQPOA-LBPRGKRZSA-N 1 0 294.395 2.050 10 0 CEAERO CC(C)c1ccc(C[NH2+][C@@]2(C)CCS(=O)(=O)C2)cc1 ZINC000035223136 172067149 /nfs/dbraw/zinc/06/71/49/172067149.db2.gz MIRWTKHYILSULQ-HNNXBMFYSA-N 1 0 281.421 2.477 10 0 CEAERO C[NH2+]Cc1c(N2CCCCC2)nc2sccn12 ZINC000035429914 172198469 /nfs/dbraw/zinc/19/84/69/172198469.db2.gz LYAKCVCKCKLNDU-UHFFFAOYSA-N 1 0 250.371 2.106 10 0 CEAERO COc1cccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2[NH3+])c1 ZINC000035571725 172267626 /nfs/dbraw/zinc/26/76/26/172267626.db2.gz DIPGATWUKWINFF-KBPBESRZSA-N 1 0 292.379 2.357 10 0 CEAERO CC(C)(C)OC(=O)N1C[C@@H]([NH3+])[C@@H](c2cccc(F)c2)C1 ZINC000035571743 172267685 /nfs/dbraw/zinc/26/76/85/172267685.db2.gz PODWONBIEUIEAX-CHWSQXEVSA-N 1 0 280.343 2.487 10 0 CEAERO C[C@@H](O)c1c(F)cccc1N1CCC[N@H+](C)CC1 ZINC000035631485 172313521 /nfs/dbraw/zinc/31/35/21/172313521.db2.gz OGORIKYMFWSOEV-LLVKDONJSA-N 1 0 252.333 2.021 10 0 CEAERO CC[C@H](C)NS(=O)(=O)c1ccc([C@@H](C)[NH2+]C)cc1 ZINC000035632866 172315361 /nfs/dbraw/zinc/31/53/61/172315361.db2.gz BLPQAQXKAJYCNM-WDEREUQCSA-N 1 0 270.398 2.044 10 0 CEAERO C[C@@H](NC(=O)C[C@@H]([NH3+])c1ccccc1)c1ccccn1 ZINC000035694944 172363597 /nfs/dbraw/zinc/36/35/97/172363597.db2.gz SBYAHDFEPDESFF-TZMCWYRMSA-N 1 0 269.348 2.349 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1Sc1nnnn1C1CCCC1 ZINC000035724034 172379141 /nfs/dbraw/zinc/37/91/41/172379141.db2.gz PJPRFOPPQMUXOL-ONGXEEELSA-N 1 0 267.402 2.008 10 0 CEAERO C[C@@H]([NH2+]CC(=O)N1CCc2sccc2C1)C1CC1 ZINC000035733567 172384792 /nfs/dbraw/zinc/38/47/92/172384792.db2.gz GQPWALHUUGCCDD-SNVBAGLBSA-N 1 0 264.394 2.021 10 0 CEAERO Cn1cc(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000035737434 172390220 /nfs/dbraw/zinc/39/02/20/172390220.db2.gz VLMUARFDMSTSHS-OAHLLOKOSA-N 1 0 270.380 2.497 10 0 CEAERO CCn1cc(N[C@H](C)[C@H]2CCC[N@H+](CC)C2)cn1 ZINC000035779803 172412905 /nfs/dbraw/zinc/41/29/05/172412905.db2.gz SVFFBPXNFIDBIA-OLZOCXBDSA-N 1 0 250.390 2.435 10 0 CEAERO CCOCCOc1ccc(C(F)(F)F)cc1C(N)=[NH2+] ZINC000036927101 172809337 /nfs/dbraw/zinc/80/93/37/172809337.db2.gz RMZWXUZFTNFKJS-UHFFFAOYSA-N 1 0 276.258 2.405 10 0 CEAERO COCCC[NH2+]Cc1c(C)nc2scc(C)n12 ZINC000037232381 173051462 /nfs/dbraw/zinc/05/14/62/173051462.db2.gz VTTGKBXQCNJHNF-UHFFFAOYSA-N 1 0 253.371 2.139 10 0 CEAERO COc1nc2sccn2c1C[NH2+]CCc1ccco1 ZINC000037259002 173069296 /nfs/dbraw/zinc/06/92/96/173069296.db2.gz HFHHWGUTEVNCJI-UHFFFAOYSA-N 1 0 277.349 2.330 10 0 CEAERO CC(C)Oc1ccccc1C[NH2+][C@H](C)C(=O)N(C)C ZINC000037267617 173077779 /nfs/dbraw/zinc/07/77/79/173077779.db2.gz NXLADKTXVXFGPM-GFCCVEGCSA-N 1 0 264.369 2.040 10 0 CEAERO O=C1NCCCC[C@@H]1[NH2+][C@H]1CSCc2ccccc21 ZINC000037282914 173089618 /nfs/dbraw/zinc/08/96/18/173089618.db2.gz UEJCMKDDOSCZHI-KBPBESRZSA-N 1 0 276.405 2.233 10 0 CEAERO Cc1ncsc1[C@H](C)[NH2+][C@@H](C)Cn1ccnc1 ZINC000037320427 173121361 /nfs/dbraw/zinc/12/13/61/173121361.db2.gz OVVABXQZEJGNEZ-ONGXEEELSA-N 1 0 250.371 2.387 10 0 CEAERO COc1ccc2[nH]cc([C@@H](O)C3CC[NH2+]CC3)c2c1 ZINC000037330582 173131673 /nfs/dbraw/zinc/13/16/73/173131673.db2.gz MBRQINUJOODXHX-HNNXBMFYSA-N 1 0 260.337 2.210 10 0 CEAERO O[C@H](C[NH2+]C1CC1)COc1cccc(C(F)(F)F)c1 ZINC000037372615 173161655 /nfs/dbraw/zinc/16/16/55/173161655.db2.gz MZFGGZATINEVQJ-LLVKDONJSA-N 1 0 275.270 2.197 10 0 CEAERO [NH3+][C@@H]1C[C@@H]1c1cc(Br)c2c(c1)OCCCO2 ZINC000037381763 173167682 /nfs/dbraw/zinc/16/76/82/173167682.db2.gz ORSRVWFSXGMYDJ-PSASIEDQSA-N 1 0 284.153 2.425 10 0 CEAERO CCOc1ccccc1NC(=O)C[NH2+][C@H](C)CC ZINC000037386349 173169222 /nfs/dbraw/zinc/16/92/22/173169222.db2.gz CNBWZWVPHDHNLG-LLVKDONJSA-N 1 0 250.342 2.412 10 0 CEAERO CCOc1cc2c(cc1C[NH2+]CC(OC)OC)O[C@@H](C)C2 ZINC000037388365 173171907 /nfs/dbraw/zinc/17/19/07/173171907.db2.gz WDJMFCPDSDUEQV-NSHDSACASA-N 1 0 295.379 2.117 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)N[C@@H](C)c1cc(OC)ccc1OC ZINC000037389646 173172940 /nfs/dbraw/zinc/17/29/40/173172940.db2.gz VHLALRDLGDHSAP-RYUDHWBXSA-N 1 0 294.395 2.269 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000037389648 173173167 /nfs/dbraw/zinc/17/31/67/173173167.db2.gz VHLALRDLGDHSAP-VXGBXAGGSA-N 1 0 294.395 2.269 10 0 CEAERO [NH3+]CCC(=O)Nc1ccc(Br)cc1Cl ZINC000037392452 173173720 /nfs/dbraw/zinc/17/37/20/173173720.db2.gz ODJNVQDSMYFIIY-UHFFFAOYSA-N 1 0 277.549 2.390 10 0 CEAERO COC(=O)CCC[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000037417186 173194768 /nfs/dbraw/zinc/19/47/68/173194768.db2.gz MOHDDZSUIXWRGI-UHFFFAOYSA-N 1 0 251.326 2.052 10 0 CEAERO CC(C)n1c2ccc(Cl)cc2nc1[C@H]([NH3+])CO ZINC000037440705 173210526 /nfs/dbraw/zinc/21/05/26/173210526.db2.gz HQLZWRMKFISINN-SECBINFHSA-N 1 0 253.733 2.263 10 0 CEAERO C[C@@H]([NH3+])c1nc2cc(Br)ccc2n1C ZINC000037441283 173211452 /nfs/dbraw/zinc/21/14/52/173211452.db2.gz JOFIJYGFOWYIKJ-ZCFIWIBFSA-N 1 0 254.131 2.356 10 0 CEAERO C[C@@H](O)[C@H]([NH3+])c1nc2cccc(Cl)c2n1C1CC1 ZINC000037444415 173211952 /nfs/dbraw/zinc/21/19/52/173211952.db2.gz GSTBNGNUIPKHAT-HQJQHLMTSA-N 1 0 265.744 2.405 10 0 CEAERO CC(C)[C@@H](C)N(C)C(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000037504735 173239828 /nfs/dbraw/zinc/23/98/28/173239828.db2.gz ZXCLKDBNYCUKIH-ZOBORPQBSA-N 1 0 252.402 2.410 10 0 CEAERO COc1cc([C@@H](C)[NH3+])ccc1O[C@H]1CCC[C@@H]1O ZINC000037698354 173622496 /nfs/dbraw/zinc/62/24/96/173622496.db2.gz YJTPVVKTOXCUHZ-USWWRNFRSA-N 1 0 251.326 2.007 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc(C)c(OCC(=O)OC)c(C)c1 ZINC000037723427 173641908 /nfs/dbraw/zinc/64/19/08/173641908.db2.gz KWCQTTHTVPFALZ-CYBMUJFWSA-N 1 0 265.353 2.135 10 0 CEAERO C[C@@H](Oc1ccc(Cl)cc1C[C@H](C)[NH3+])C(=O)N(C)C ZINC000037725778 173643807 /nfs/dbraw/zinc/64/38/07/173643807.db2.gz UUXMUULUBHKEQB-VHSXEESVSA-N 1 0 284.787 2.085 10 0 CEAERO COc1ccnc(N[C@@H](C)c2ccc(C[NH3+])cc2)n1 ZINC000037748127 173670241 /nfs/dbraw/zinc/67/02/41/173670241.db2.gz WWGFFJCOOZDMAM-JTQLQIEISA-N 1 0 258.325 2.117 10 0 CEAERO CCOCc1ccccc1C[NH2+]C[C@H](C)C(=O)OC ZINC000037762451 173689216 /nfs/dbraw/zinc/68/92/16/173689216.db2.gz BSAHPHASRUGKGN-LBPRGKRZSA-N 1 0 265.353 2.122 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1ccccc1F ZINC000037764149 173691473 /nfs/dbraw/zinc/69/14/73/173691473.db2.gz BGGDIQVDPIMWHT-WDEREUQCSA-N 1 0 250.317 2.003 10 0 CEAERO CCN(Cc1ccc(F)c(F)c1)C(=O)CCC[NH2+]C ZINC000037816613 173766042 /nfs/dbraw/zinc/76/60/42/173766042.db2.gz NWIBZMDJXRQIPX-UHFFFAOYSA-N 1 0 270.323 2.313 10 0 CEAERO CC(C)[NH+](CCNC[C@H](O)c1ccco1)C(C)C ZINC000037862852 173812350 /nfs/dbraw/zinc/81/23/50/173812350.db2.gz WZTHMUQRFJHKRT-ZDUSSCGKSA-N 1 0 254.374 2.021 10 0 CEAERO CCC(C)(C)NC(=O)[C@H](C)N(CC[NH3+])Cc1ccccc1 ZINC000038033209 174030521 /nfs/dbraw/zinc/03/05/21/174030521.db2.gz OHKKFVQTFWXMIJ-AWEZNQCLSA-N 1 0 291.439 2.141 10 0 CEAERO [NH3+]CCN(CCc1ccncc1)Cc1ccccc1 ZINC000038033262 174030939 /nfs/dbraw/zinc/03/09/39/174030939.db2.gz MCKNFRHZTFNJAF-UHFFFAOYSA-N 1 0 255.365 2.085 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c2ccccc12 ZINC000038049534 174060388 /nfs/dbraw/zinc/06/03/88/174060388.db2.gz VLXTTXXPVUJVBS-DZGCQCFKSA-N 1 0 271.364 2.097 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)c1c(F)cccc1Cl ZINC000038049574 174060513 /nfs/dbraw/zinc/06/05/13/174060513.db2.gz UTERPJCIMYXPID-WDEREUQCSA-N 1 0 270.735 2.479 10 0 CEAERO COc1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000038049867 174061107 /nfs/dbraw/zinc/06/11/07/174061107.db2.gz FBXUVNIDOAZLJW-QWHCGFSZSA-N 1 0 263.341 2.087 10 0 CEAERO COC(=O)CCC[C@@H]([NH3+])c1ccc2c(c1)CCCO2 ZINC000038058275 174068882 /nfs/dbraw/zinc/06/88/82/174068882.db2.gz XRHQEEQMFZZPAH-CYBMUJFWSA-N 1 0 263.337 2.355 10 0 CEAERO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2COCCO2)c(C)n1 ZINC000038061086 174072514 /nfs/dbraw/zinc/07/25/14/174072514.db2.gz OWLARFVRFOUMKJ-OCCSQVGLSA-N 1 0 264.369 2.073 10 0 CEAERO CC[C@H](C)[NH2+][C@@H](C(N)=O)c1ccc(SC)cc1 ZINC000038064833 174075540 /nfs/dbraw/zinc/07/55/40/174075540.db2.gz LUBFCEQDPUQYNG-JOYOIKCWSA-N 1 0 252.383 2.323 10 0 CEAERO CC[C@H](C)[NH2+][C@@](C)(C(N)=O)c1ccc(SC)cc1 ZINC000038065771 174076819 /nfs/dbraw/zinc/07/68/19/174076819.db2.gz WNBBLNVSOWAEHF-IINYFYTJSA-N 1 0 266.410 2.497 10 0 CEAERO C[C@H](CN[C@H](c1cccs1)c1nccn1C)[NH+](C)C ZINC000038087562 174099281 /nfs/dbraw/zinc/09/92/81/174099281.db2.gz YNFYFWSBPMHXCD-DGCLKSJQSA-N 1 0 278.425 2.111 10 0 CEAERO COc1ccc(C2CC([NH2+]C[C@H](C)N(C)C)C2)cc1 ZINC000038087767 174100330 /nfs/dbraw/zinc/10/03/30/174100330.db2.gz KMMSIFNOCLFUBG-GRTSSRMGSA-N 1 0 262.397 2.481 10 0 CEAERO COc1ccccc1C1CC([NH2+]C[C@H](C)N(C)C)C1 ZINC000038087787 174100922 /nfs/dbraw/zinc/10/09/22/174100922.db2.gz ARGOMFPTVAJTJF-HSBZDZAISA-N 1 0 262.397 2.481 10 0 CEAERO O[C@H](C[NH2+]CC[C@@H]1CCCO1)c1cccc(F)c1 ZINC000038096795 174111339 /nfs/dbraw/zinc/11/13/39/174111339.db2.gz NCNANCONGOUVQC-UONOGXRCSA-N 1 0 253.317 2.018 10 0 CEAERO OC[C@H]([NH2+]C1CC1)c1ccc(Br)cc1 ZINC000038124274 174130868 /nfs/dbraw/zinc/13/08/68/174130868.db2.gz XUPPADLDSBNTMT-NSHDSACASA-N 1 0 256.143 2.235 10 0 CEAERO CSCC[C@@H]([NH3+])C(=O)Nc1cccc2cccnc21 ZINC000038314579 174139751 /nfs/dbraw/zinc/13/97/51/174139751.db2.gz GRMLCRHYLSDBHS-LLVKDONJSA-N 1 0 275.377 2.254 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+]Cc2ccncc2)C1 ZINC000038957474 174160407 /nfs/dbraw/zinc/16/04/07/174160407.db2.gz YOGZYKSXONIFEO-AWEZNQCLSA-N 1 0 291.395 2.428 10 0 CEAERO CC(C)NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000040176565 174201820 /nfs/dbraw/zinc/20/18/20/174201820.db2.gz OSEIZZFYTLJRFO-BJJPWKGXSA-N 1 0 252.402 2.314 10 0 CEAERO COc1cc(C)ccc1NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000040464326 174274184 /nfs/dbraw/zinc/27/41/84/174274184.db2.gz SUAULHYWMJMKND-GFCCVEGCSA-N 1 0 250.342 2.316 10 0 CEAERO CC(C)(C)C[NH2+]C[C@@H](O)c1ccc2c(c1)OCO2 ZINC000040493402 174292902 /nfs/dbraw/zinc/29/29/02/174292902.db2.gz ZYLYHOFVFOXMRH-LLVKDONJSA-N 1 0 251.326 2.084 10 0 CEAERO Cc1ccccc1OC[C@H](O)C[NH2+]CC(C)(C)C ZINC000040493541 174293392 /nfs/dbraw/zinc/29/33/92/174293392.db2.gz DJXFENLAUAGJCR-CYBMUJFWSA-N 1 0 251.370 2.370 10 0 CEAERO COc1ccccc1NC(=O)C[NH2+]CC(C)(C)C ZINC000040493776 174293434 /nfs/dbraw/zinc/29/34/34/174293434.db2.gz GNZKMAJMGFDNLM-UHFFFAOYSA-N 1 0 250.342 2.269 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(Cl)ccc2N)C1 ZINC000040501646 174298421 /nfs/dbraw/zinc/29/84/21/174298421.db2.gz YSNFOPCPJRQNRC-NSHDSACASA-N 1 0 281.787 2.136 10 0 CEAERO CCN1CCC[C@@H]([NH2+]Cc2ccc3c(c2)OCCO3)C1 ZINC000040502488 174299123 /nfs/dbraw/zinc/29/91/23/174299123.db2.gz KVUCMRGJNYQGGH-CQSZACIVSA-N 1 0 276.380 2.032 10 0 CEAERO CCCCOCC[NH2+]C[C@@H](O)CO[C@H](C)CC(C)C ZINC000040507174 174302599 /nfs/dbraw/zinc/30/25/99/174302599.db2.gz FLHIGXFEWXZXNW-HUUCEWRRSA-N 1 0 275.433 2.205 10 0 CEAERO CCCCOCC[NH2+][C@@H](C)C(=O)NC(CC)CC ZINC000040507350 174302939 /nfs/dbraw/zinc/30/29/39/174302939.db2.gz DGNIRMPVSFDUOO-LBPRGKRZSA-N 1 0 258.406 2.086 10 0 CEAERO Cc1cc(C)c(C[NH3+])c(N(C)Cc2ccccn2)n1 ZINC000040509448 174303267 /nfs/dbraw/zinc/30/32/67/174303267.db2.gz POZCCQYVGAWCEQ-UHFFFAOYSA-N 1 0 256.353 2.189 10 0 CEAERO Cc1nc(C)c([C@@H](C)NC(=O)[C@@H]([NH3+])CC(C)C)s1 ZINC000040519048 174308822 /nfs/dbraw/zinc/30/88/22/174308822.db2.gz NEGDLFVDFPDMOG-KOLCDFICSA-N 1 0 269.414 2.311 10 0 CEAERO CN(C)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCCC1 ZINC000040614483 174353555 /nfs/dbraw/zinc/35/35/55/174353555.db2.gz AJTCPDZXZONSRV-ZDUSSCGKSA-N 1 0 279.384 2.468 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](c2nc(-c3ccccc3C)c[nH]2)C1 ZINC000040637843 174361669 /nfs/dbraw/zinc/36/16/69/174361669.db2.gz IWWHVBKSEFUFMV-AAEUAGOBSA-N 1 0 257.337 2.435 10 0 CEAERO Cc1nc([C@H](C)[NH2+]CCc2nccn2C)cs1 ZINC000040639110 174363955 /nfs/dbraw/zinc/36/39/55/174363955.db2.gz UQRTUUYSRFYZOF-VIFPVBQESA-N 1 0 250.371 2.078 10 0 CEAERO C[C@H]1CCC[C@](C[NH2+]C[C@@H]2CCCO2)(N(C)C)C1 ZINC000040669614 174367999 /nfs/dbraw/zinc/36/79/99/174367999.db2.gz OMALFSFEUNFCLC-KKUMJFAQSA-N 1 0 254.418 2.266 10 0 CEAERO CCCCOC(=O)CNC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000040669306 174368029 /nfs/dbraw/zinc/36/80/29/174368029.db2.gz XSYDZBUEHQPPFT-GOEBONIOSA-N 1 0 284.444 2.430 10 0 CEAERO C[C@H]([NH2+]C[C@]1(N(C)C)CCC[C@@H](C)C1)C(=O)NC(C)(C)C ZINC000040669871 174368287 /nfs/dbraw/zinc/36/82/87/174368287.db2.gz UCBSGYADHMOKOR-KEYYUXOJSA-N 1 0 297.487 2.390 10 0 CEAERO C[C@@H]1CCC[C@@](CNc2ncnc3nc[nH]c32)([NH+](C)C)C1 ZINC000040670083 174368615 /nfs/dbraw/zinc/36/86/15/174368615.db2.gz UWRCHWZQBAKKEC-IAQYHMDHSA-N 1 0 288.399 2.275 10 0 CEAERO [NH3+][C@@H](C(=O)N1CCOc2ccccc2C1)c1ccccc1 ZINC000040677759 174374304 /nfs/dbraw/zinc/37/43/04/174374304.db2.gz DNSAPJOYAQRHKJ-MRXNPFEDSA-N 1 0 282.343 2.108 10 0 CEAERO CCn1c2ccc(Cl)cc2nc1[C@@H]([NH3+])CCO ZINC000040710309 174380673 /nfs/dbraw/zinc/38/06/73/174380673.db2.gz LZWAZAGLCRNNJM-VIFPVBQESA-N 1 0 253.733 2.092 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CNc1ncc(Br)cc1N ZINC000040713594 174381527 /nfs/dbraw/zinc/38/15/27/174381527.db2.gz WZSZJYDQWBCWDR-SNVBAGLBSA-N 1 0 299.216 2.323 10 0 CEAERO C[C@H]1CCN(c2nc3sccn3c2C[NH2+]C2CC2)C1 ZINC000040723718 174385989 /nfs/dbraw/zinc/38/59/89/174385989.db2.gz HHKWIMZEVWPRPB-JTQLQIEISA-N 1 0 276.409 2.494 10 0 CEAERO [NH3+]Cc1ccc(NC(=O)Nc2ccc(CCO)cc2)cc1 ZINC000040739326 174390176 /nfs/dbraw/zinc/39/01/76/174390176.db2.gz HFVUYJHBWXWBOY-UHFFFAOYSA-N 1 0 285.347 2.324 10 0 CEAERO Cc1cccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000040740872 174390776 /nfs/dbraw/zinc/39/07/76/174390776.db2.gz RHMNAJZAHIALLN-PBWFPOADSA-N 1 0 259.353 2.400 10 0 CEAERO O=C(Nc1cccc(F)c1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040740887 174390963 /nfs/dbraw/zinc/39/09/63/174390963.db2.gz OUOUCJFHGRAJBI-FUNVUKJBSA-N 1 0 263.316 2.230 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(Cl)cc1 ZINC000040749708 174394339 /nfs/dbraw/zinc/39/43/39/174394339.db2.gz XWZATTRNHYYDMJ-AGUYFDCRSA-N 1 0 278.783 2.363 10 0 CEAERO O=C(Nc1ccc(Cl)c2ncccc12)[C@@H]1CC[NH2+]C1 ZINC000062114111 414758767 /nfs/dbraw/zinc/75/87/67/414758767.db2.gz KPVAZEPURWESDQ-SECBINFHSA-N 1 0 275.739 2.436 10 0 CEAERO C(C[N@@H+]1CC[C@@H]2OCCN[C@H]2C1)C1CCCCC1 ZINC000403995598 414771073 /nfs/dbraw/zinc/77/10/73/414771073.db2.gz KXKKQJNVXBGBRK-GJZGRUSLSA-N 1 0 252.402 2.020 10 0 CEAERO COc1cccc(NC(=O)NCC[C@@H]2CCCC[NH2+]2)c1 ZINC000041093196 174477947 /nfs/dbraw/zinc/47/79/47/174477947.db2.gz SNZKRIYLODCOIJ-LBPRGKRZSA-N 1 0 277.368 2.349 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1CC2CCC1CC2 ZINC000400120800 414747309 /nfs/dbraw/zinc/74/73/09/414747309.db2.gz WOMNYVVSDNBFKL-HKKVPVCXSA-N 1 0 264.413 2.317 10 0 CEAERO Cc1cc(F)cc(C(=O)N(C)[C@H](C[NH3+])C(F)(F)F)c1 ZINC000662982528 414818254 /nfs/dbraw/zinc/81/82/54/414818254.db2.gz ZFKZLBWROKNFCE-SNVBAGLBSA-N 1 0 278.249 2.096 10 0 CEAERO CN(C(=O)c1ccc(Cl)c(F)c1)[C@H](C[NH3+])C(F)(F)F ZINC000662985335 414818719 /nfs/dbraw/zinc/81/87/19/414818719.db2.gz UOSLKBFZTNOEIY-SECBINFHSA-N 1 0 298.667 2.441 10 0 CEAERO C[C@@H]1CCCC[C@@H]1C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662987190 414818743 /nfs/dbraw/zinc/81/87/43/414818743.db2.gz RTDKZRXQUNRKSF-UTLUCORTSA-N 1 0 266.307 2.161 10 0 CEAERO CCCNC(=O)CCn1c(C)cc2c1CCC[C@H]2[NH3+] ZINC000041722490 174618098 /nfs/dbraw/zinc/61/80/98/174618098.db2.gz QWQVYJAVEGCYDT-CYBMUJFWSA-N 1 0 263.385 2.049 10 0 CEAERO COc1ccc(F)cc1C[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000310980737 414858651 /nfs/dbraw/zinc/85/86/51/414858651.db2.gz JQXVNTQWQMHNMN-QWHCGFSZSA-N 1 0 253.317 2.227 10 0 CEAERO CC(C)OC(=O)c1ccc(NC(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000042166663 174648982 /nfs/dbraw/zinc/64/89/82/174648982.db2.gz WHPROSSEKMFFCE-AWEZNQCLSA-N 1 0 290.363 2.332 10 0 CEAERO CCC[NH+]1CCC(NCC(=O)Nc2ccccc2)CC1 ZINC000042314359 174682487 /nfs/dbraw/zinc/68/24/87/174682487.db2.gz DTAIMOXREIUEOF-UHFFFAOYSA-N 1 0 275.396 2.089 10 0 CEAERO COC(=O)C[C@H](C)[NH2+]CCc1ccc(Cl)cc1 ZINC000042396380 174708984 /nfs/dbraw/zinc/70/89/84/174708984.db2.gz RHKVWIHKDMMDBT-JTQLQIEISA-N 1 0 255.745 2.424 10 0 CEAERO CC(C)CC[C@H](C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653057185 414890369 /nfs/dbraw/zinc/89/03/69/414890369.db2.gz SEDDHKVQDYLQRA-HBNTYKKESA-N 1 0 280.334 2.325 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)C1CCCCC1 ZINC000653064738 414893704 /nfs/dbraw/zinc/89/37/04/414893704.db2.gz CKFRJJVBEFAUNS-YUSALJHKSA-N 1 0 292.345 2.469 10 0 CEAERO COCc1csc(C[NH2+]C[C@H]2CCC[C@H]2O)c1 ZINC000657377320 414896636 /nfs/dbraw/zinc/89/66/36/414896636.db2.gz BWMJUZBQYZKTIR-DGCLKSJQSA-N 1 0 255.383 2.145 10 0 CEAERO C[C@H]1CCCCCN1C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653446596 414997709 /nfs/dbraw/zinc/99/77/09/414997709.db2.gz MOBGDRLLWVBJPM-HBNTYKKESA-N 1 0 278.318 2.175 10 0 CEAERO C[C@@H]1CC[C@H](C)CN1C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653446591 414997778 /nfs/dbraw/zinc/99/77/78/414997778.db2.gz MMIZLKXPJDNALU-LNFKQOIKSA-N 1 0 278.318 2.031 10 0 CEAERO C[C@@H]1CC(C[NH2+]Cc2cnc3n2CCC3)C[C@@H](C)O1 ZINC000657458922 414949161 /nfs/dbraw/zinc/94/91/61/414949161.db2.gz RBLMSMIEJYYTCD-VXGBXAGGSA-N 1 0 263.385 2.123 10 0 CEAERO CN1C[C@H](C[NH2+]Cc2cccc(Cl)c2F)CC1=O ZINC000657697696 415053978 /nfs/dbraw/zinc/05/39/78/415053978.db2.gz RHDBOKWWADMPHG-VIFPVBQESA-N 1 0 270.735 2.047 10 0 CEAERO CN(Cc1cscn1)[C@H](C[NH3+])C1CCCCC1 ZINC000042863351 174893969 /nfs/dbraw/zinc/89/39/69/174893969.db2.gz UXZASHGVKLJUCB-CYBMUJFWSA-N 1 0 253.415 2.483 10 0 CEAERO CN(Cc1cscn1)C[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000042869510 174896651 /nfs/dbraw/zinc/89/66/51/174896651.db2.gz AKCBNOCENFSERF-AWEZNQCLSA-N 1 0 273.405 2.289 10 0 CEAERO [NH3+]Cc1cc2c(cc1OCc1ccccc1)OCO2 ZINC000042873660 174898478 /nfs/dbraw/zinc/89/84/78/174898478.db2.gz NWGVONQAUZWTJT-UHFFFAOYSA-N 1 0 257.289 2.453 10 0 CEAERO [NH3+]C[C@@H](OCCc1ccccn1)c1ccc(F)cc1 ZINC000042942330 174918514 /nfs/dbraw/zinc/91/85/14/174918514.db2.gz IYHOONWONROFQS-OAHLLOKOSA-N 1 0 260.312 2.480 10 0 CEAERO C[C@@H]1CC(C[NH2+][C@@H]2COC3(CCC3)C2)C[C@@H](C)O1 ZINC000658001477 415151667 /nfs/dbraw/zinc/15/16/67/415151667.db2.gz PAKOHRFUXFMOMU-BZPMIXESSA-N 1 0 253.386 2.491 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1cccc(F)c1)N(C)Cc1cnn(C)c1 ZINC000042972593 174935901 /nfs/dbraw/zinc/93/59/01/174935901.db2.gz YLVCVYLFPVVZFX-HOTGVXAUSA-N 1 0 290.386 2.470 10 0 CEAERO CC[C@H]([NH3+])[C@H](SCC(=O)OC)c1cccs1 ZINC000043114339 174974914 /nfs/dbraw/zinc/97/49/14/174974914.db2.gz HVVFKXIZJQQKSN-KWQFWETISA-N 1 0 259.396 2.433 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1nnnn1C)c1ccc(C)s1 ZINC000043246119 174991023 /nfs/dbraw/zinc/99/10/23/174991023.db2.gz PJZBOBNANPDYHV-PSASIEDQSA-N 1 0 283.426 2.151 10 0 CEAERO [NH3+][C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043299974 175000727 /nfs/dbraw/zinc/00/07/27/175000727.db2.gz NBZSYMMJUZUFBA-LDYMZIIASA-N 1 0 294.203 2.428 10 0 CEAERO C[NH2+][C@H](c1c(C)cc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000043300638 175001519 /nfs/dbraw/zinc/00/15/19/175001519.db2.gz NIYFPKJKWMNLMQ-HIFRSBDPSA-N 1 0 281.421 2.307 10 0 CEAERO CC[NH2+][C@H](c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300938 175001543 /nfs/dbraw/zinc/00/15/43/175001543.db2.gz MLZSKVYVRFRBDQ-ZIAGYGMSSA-N 1 0 267.394 2.080 10 0 CEAERO CC[NH2+][C@@H](c1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300821 175001793 /nfs/dbraw/zinc/00/17/93/175001793.db2.gz WABGGBONWWRVRT-MFKMUULPSA-N 1 0 289.347 2.050 10 0 CEAERO CC[NH+](CC)CCN[C@@H](CO)c1cccc(C)c1C ZINC000043316151 175004624 /nfs/dbraw/zinc/00/46/24/175004624.db2.gz WUGXQEAXEDPADM-INIZCTEOSA-N 1 0 264.413 2.268 10 0 CEAERO Cc1cccc([C@H](C[NH3+])N2CCSCC2)c1C ZINC000043314526 175004861 /nfs/dbraw/zinc/00/48/61/175004861.db2.gz SHICITKVGAIBJQ-AWEZNQCLSA-N 1 0 250.411 2.352 10 0 CEAERO CC[NH2+][C@@H]1CCN(c2cc(OC)ccc2Cl)C1=O ZINC000043318010 175005267 /nfs/dbraw/zinc/00/52/67/175005267.db2.gz BDUATCWRJQFYCR-LLVKDONJSA-N 1 0 268.744 2.063 10 0 CEAERO FC1(F)Oc2ccc(N[C@@H]3CCC[NH2+]C3)cc2O1 ZINC000043324080 175006515 /nfs/dbraw/zinc/00/65/15/175006515.db2.gz IRQBZFNRZXBPME-SECBINFHSA-N 1 0 256.252 2.172 10 0 CEAERO COC(=O)c1cc(Cl)ccc1N[C@H]1CCC[NH2+]C1 ZINC000043325883 175007814 /nfs/dbraw/zinc/00/78/14/175007814.db2.gz ZXRBDCNYMPFDOQ-JTQLQIEISA-N 1 0 268.744 2.291 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccccn1)n1cc(Cl)cn1 ZINC000043341462 175015232 /nfs/dbraw/zinc/01/52/32/175015232.db2.gz LLXDTTCYJNGARF-CMPLNLGQSA-N 1 0 250.733 2.258 10 0 CEAERO C[C@H]([NH3+])[C@@H](OCCc1ccccn1)c1ccccn1 ZINC000043343536 175015822 /nfs/dbraw/zinc/01/58/22/175015822.db2.gz QRBUCGQNBSSNEK-SWLSCSKDSA-N 1 0 257.337 2.124 10 0 CEAERO C[C@H]([NH3+])[C@H](OC[C@@H]1CCCCO1)c1ccccn1 ZINC000043342862 175015921 /nfs/dbraw/zinc/01/59/21/175015921.db2.gz MWSWMKMUZGNACH-OBJOEFQTSA-N 1 0 250.342 2.056 10 0 CEAERO Cc1ncsc1CCO[C@H](C[NH3+])c1ccccn1 ZINC000043342935 175015927 /nfs/dbraw/zinc/01/59/27/175015927.db2.gz OAGYEIHBCSLMBJ-GFCCVEGCSA-N 1 0 263.366 2.106 10 0 CEAERO CC[C@H]([NH3+])[C@H](OC[C@@H]1CCCCO1)c1ccccn1 ZINC000043342870 175016003 /nfs/dbraw/zinc/01/60/03/175016003.db2.gz GOGMCGJGCYDKNE-YDHLFZDLSA-N 1 0 264.369 2.446 10 0 CEAERO CCN(Cc1ccncc1)[C@H](c1ccncc1)[C@@H](C)[NH3+] ZINC000043354284 175021381 /nfs/dbraw/zinc/02/13/81/175021381.db2.gz GDJOMGOYPPPHKG-CJNGLKHVSA-N 1 0 270.380 2.387 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccncc1)N(CCO)C1CCCC1 ZINC000043354625 175022021 /nfs/dbraw/zinc/02/20/21/175022021.db2.gz KWMPFWARSJDPQN-JKSUJKDBSA-N 1 0 277.412 2.097 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1ccncc1)N(CCO)C1CCCCC1 ZINC000043354611 175022152 /nfs/dbraw/zinc/02/21/52/175022152.db2.gz JKNUKXUQSPEBJU-BBRMVZONSA-N 1 0 277.412 2.097 10 0 CEAERO CCC(CC)N(CCOC)[C@H](C[NH3+])c1ccncc1 ZINC000043354726 175022477 /nfs/dbraw/zinc/02/24/77/175022477.db2.gz XBVKTZDHDZVQSK-OAHLLOKOSA-N 1 0 265.401 2.218 10 0 CEAERO [NH3+]C[C@H](Oc1ccc2c(c1)CCC(=O)N2)c1ccncc1 ZINC000043355131 175023038 /nfs/dbraw/zinc/02/30/38/175023038.db2.gz PGTIHBQLKAOAGU-HNNXBMFYSA-N 1 0 283.331 2.045 10 0 CEAERO Cc1ccc([C@H]([C@H](C)[NH3+])N(C)[C@@H]2CCSC2)o1 ZINC000043364093 175024659 /nfs/dbraw/zinc/02/46/59/175024659.db2.gz QTPMFVAMHOSKCS-LOWVWBTDSA-N 1 0 254.399 2.414 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)N1CCCC[C@@H]1CO ZINC000043364604 175025650 /nfs/dbraw/zinc/02/56/50/175025650.db2.gz AXYMCMYNCZYNJJ-IPYPFGDCSA-N 1 0 266.385 2.213 10 0 CEAERO CCCCN(CCO)[C@H](c1ccc(C)o1)[C@@H](C)[NH3+] ZINC000043364869 175025855 /nfs/dbraw/zinc/02/58/55/175025855.db2.gz UEAXFYIMSKYFDB-OCCSQVGLSA-N 1 0 254.374 2.071 10 0 CEAERO Cc1ccc([C@@H]([C@H](C)[NH3+])N(CCO)C2CCCC2)o1 ZINC000043365202 175026647 /nfs/dbraw/zinc/02/66/47/175026647.db2.gz JREATOBTYMGGAC-SWLSCSKDSA-N 1 0 266.385 2.213 10 0 CEAERO CC[C@H]([NH3+])[C@H](N(C)CC(F)(F)F)C(F)(F)F ZINC000043377874 175030394 /nfs/dbraw/zinc/03/03/94/175030394.db2.gz NAPPGADHBPWYQR-WDSKDSINSA-N 1 0 252.202 2.149 10 0 CEAERO C[C@H]([NH3+])[C@@H](n1ccc(C(F)(F)F)n1)C(F)(F)F ZINC000043383177 175031216 /nfs/dbraw/zinc/03/12/16/175031216.db2.gz DJLSWANBTJYBNB-UJURSFKZSA-N 1 0 261.169 2.353 10 0 CEAERO CC[C@H]([NH3+])[C@H](Oc1ccc2c(c1)OCO2)C(F)(F)F ZINC000043384533 175031719 /nfs/dbraw/zinc/03/17/19/175031719.db2.gz JXHDCZJXDGWQSQ-KWQFWETISA-N 1 0 277.242 2.462 10 0 CEAERO C[C@H]([NH3+])[C@@H](Oc1cccc(N(C)C)c1)C(F)(F)F ZINC000043385357 175031846 /nfs/dbraw/zinc/03/18/46/175031846.db2.gz IJZZZAJEFUEUDV-GZMMTYOYSA-N 1 0 262.275 2.410 10 0 CEAERO C[C@H]1CN([C@@H](C[NH3+])c2ccc(Cl)c(F)c2)CCO1 ZINC000043390130 175033585 /nfs/dbraw/zinc/03/35/85/175033585.db2.gz AYAYYBNAIMTLHA-ZANVPECISA-N 1 0 272.751 2.200 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](c2nc(-c3cc(F)c(F)c(F)c3)no2)C1 ZINC000043391741 175034155 /nfs/dbraw/zinc/03/41/55/175034155.db2.gz KCFUHPXYWBJBEC-GMSGAONNSA-N 1 0 299.252 2.203 10 0 CEAERO NC(=[NH2+])c1cc2c(nc1OCc1ccco1)CCC2 ZINC000043406940 175037270 /nfs/dbraw/zinc/03/72/70/175037270.db2.gz GYSJGHFOUUZWAM-UHFFFAOYSA-N 1 0 257.293 2.026 10 0 CEAERO C[NH2+]CCc1nc2cc(Br)ccc2[nH]1 ZINC000043598784 175077366 /nfs/dbraw/zinc/07/73/66/175077366.db2.gz UIAJKSXGYUNINB-UHFFFAOYSA-N 1 0 254.131 2.087 10 0 CEAERO CCOc1ccc([C@H](C)[NH2+]C)cc1CN1CCOCC1 ZINC000043808199 175108971 /nfs/dbraw/zinc/10/89/71/175108971.db2.gz JNAZKNYUXHWGEZ-ZDUSSCGKSA-N 1 0 278.396 2.198 10 0 CEAERO CC[NH2+][C@H]1CCC2(C[C@@H]1N1CCCC[C@@H]1C)OCCO2 ZINC000043810134 175109876 /nfs/dbraw/zinc/10/98/76/175109876.db2.gz VPEGWCBXVVDMCA-KKUMJFAQSA-N 1 0 282.428 2.135 10 0 CEAERO C[NH2+][C@@H](CN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1C ZINC000043811368 175110089 /nfs/dbraw/zinc/11/00/89/175110089.db2.gz KYVWPSKJCPJADB-LZWOXQAQSA-N 1 0 262.397 2.365 10 0 CEAERO C[NH2+][C@H](CN(C)C(C)C)c1ccc(OC)cc1OC ZINC000043813034 175110991 /nfs/dbraw/zinc/11/09/91/175110991.db2.gz JQJUKQJBTHUIRZ-CQSZACIVSA-N 1 0 266.385 2.305 10 0 CEAERO CCC[NH2+][C@H]1CCOC[C@@H]1N1CCCCCCC1 ZINC000043819364 175114058 /nfs/dbraw/zinc/11/40/58/175114058.db2.gz MJBDLQBTSJTCKA-GJZGRUSLSA-N 1 0 254.418 2.410 10 0 CEAERO CC[NH2+][C@@H](CN1CCOC[C@@H]1C)c1ccc(OCC)cc1 ZINC000043891494 175118102 /nfs/dbraw/zinc/11/81/02/175118102.db2.gz LDXCVYQRGUAPFV-YOEHRIQHSA-N 1 0 292.423 2.457 10 0 CEAERO CC[NH2+][C@H](CN1CCOC[C@@H]1C)c1cc(C)ccc1OC ZINC000043891551 175118221 /nfs/dbraw/zinc/11/82/21/175118221.db2.gz JMFMDNJMFFAYNL-GOEBONIOSA-N 1 0 292.423 2.375 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2C[C@@H]1N1CCC(OC)CC1 ZINC000043890213 175118325 /nfs/dbraw/zinc/11/83/25/175118325.db2.gz GPXRTFIERXWJGV-DLBZAZTESA-N 1 0 274.408 2.373 10 0 CEAERO CCC[NH2+][C@@H]1CCCCC[C@@H]1N1CCOC[C@@H]1C ZINC000043891742 175118599 /nfs/dbraw/zinc/11/85/99/175118599.db2.gz WWWMSVOGNNIZAR-ZNMIVQPWSA-N 1 0 254.418 2.408 10 0 CEAERO C[NH2+][C@@H](CN(C)Cc1ccccn1)c1ccccc1 ZINC000043894229 175119107 /nfs/dbraw/zinc/11/91/07/175119107.db2.gz DUIZYACJWVXKCG-INIZCTEOSA-N 1 0 255.365 2.474 10 0 CEAERO CC[NH2+][C@@H]1CCC2(C[C@@H]1N(C)[C@@H](C)C(C)C)OCCO2 ZINC000043895591 175119192 /nfs/dbraw/zinc/11/91/92/175119192.db2.gz GZEKPLFGVMRXFH-ZNMIVQPWSA-N 1 0 284.444 2.236 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2OC[C@@H]1N(C)C1CCOCC1 ZINC000043898470 175120982 /nfs/dbraw/zinc/12/09/82/175120982.db2.gz AHKAWXLESDMPEV-DOTOQJQBSA-N 1 0 290.407 2.209 10 0 CEAERO C[NH2+][C@@H](CN(C)C1CCOCC1)c1cccc(OC)c1 ZINC000043898181 175121094 /nfs/dbraw/zinc/12/10/94/175121094.db2.gz VHYVCJVITYHYNM-INIZCTEOSA-N 1 0 278.396 2.067 10 0 CEAERO C[NH2+][C@@H](CN(C)C1CCOCC1)c1ccc(OC)cc1 ZINC000043898171 175121561 /nfs/dbraw/zinc/12/15/61/175121561.db2.gz UOWFSWVBCGAIMI-INIZCTEOSA-N 1 0 278.396 2.067 10 0 CEAERO CC[NH2+][C@H]1CCOC[C@H]1N(C)Cc1cccc(C)c1 ZINC000043909973 175123178 /nfs/dbraw/zinc/12/31/78/175123178.db2.gz ISBZSNDHZSWNKC-JKSUJKDBSA-N 1 0 262.397 2.194 10 0 CEAERO CCC[NH2+][C@@H]1CCOC[C@H]1N(C)Cc1ccc(OC)cc1 ZINC000043911725 175123572 /nfs/dbraw/zinc/12/35/72/175123572.db2.gz ZKCKNOPUUBZGCB-IAGOWNOFSA-N 1 0 292.423 2.284 10 0 CEAERO CCC[NH2+][C@@H]1CCOC[C@@H]1N(C)Cc1cccc(OC)c1 ZINC000043912038 175123652 /nfs/dbraw/zinc/12/36/52/175123652.db2.gz VMCHSFSCFGIDDN-SJORKVTESA-N 1 0 292.423 2.284 10 0 CEAERO CCc1ccc([C@@H]([NH2+]C)[C@H](C)N(C)CCOC)cc1 ZINC000043915624 175124925 /nfs/dbraw/zinc/12/49/25/175124925.db2.gz FYFUWXUQQLRHSK-BBRMVZONSA-N 1 0 264.413 2.476 10 0 CEAERO CC[NH2+][C@H](CN(C)CCOC)c1ccccc1C ZINC000043915934 175125045 /nfs/dbraw/zinc/12/50/45/175125045.db2.gz HLBIRBPZCKHIKR-OAHLLOKOSA-N 1 0 250.386 2.224 10 0 CEAERO C[NH2+][C@H](CN(C)CCOC)c1ccc(C)cc1C ZINC000043915427 175125161 /nfs/dbraw/zinc/12/51/61/175125161.db2.gz OLKSYPYEOQQRDJ-OAHLLOKOSA-N 1 0 250.386 2.142 10 0 CEAERO C[NH2+][C@H](c1ccccc1)[C@@H](C)N1CCOCC1(C)C ZINC000043916604 175125410 /nfs/dbraw/zinc/12/54/10/175125410.db2.gz WRMCWNCVRDCCFS-HIFRSBDPSA-N 1 0 262.397 2.446 10 0 CEAERO CC[NH2+][C@@H](CN1CCOCC1(C)C)c1cccc(OC)c1 ZINC000043917050 175125459 /nfs/dbraw/zinc/12/54/59/175125459.db2.gz SRZGSVMJPNUKKP-INIZCTEOSA-N 1 0 292.423 2.457 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2OC[C@@H]1N1CCOCC1(C)C ZINC000043917132 175125708 /nfs/dbraw/zinc/12/57/08/175125708.db2.gz KMDQYBRSZZLHDL-HOCLYGCPSA-N 1 0 290.407 2.209 10 0 CEAERO C[NH2+][C@H]1c2ccccc2CC[C@H]1N1CCOCC1(C)C ZINC000043916855 175125908 /nfs/dbraw/zinc/12/59/08/175125908.db2.gz MAYWXWMANLVXST-CVEARBPZSA-N 1 0 274.408 2.373 10 0 CEAERO C[NH2+][C@@H](c1ccccc1)[C@H](C)N(C)C[C@@H]1CCCO1 ZINC000043965767 175126944 /nfs/dbraw/zinc/12/69/44/175126944.db2.gz PWRBYDVJNCEWNN-CWRNSKLLSA-N 1 0 262.397 2.446 10 0 CEAERO C[NH2+][C@H](c1ccccc1)[C@@H](C)N(C)C[C@@H]1CCCO1 ZINC000043965765 175127292 /nfs/dbraw/zinc/12/72/92/175127292.db2.gz PWRBYDVJNCEWNN-KBMXLJTQSA-N 1 0 262.397 2.446 10 0 CEAERO CCOc1ccccc1[C@H](CN(C)C[C@@H]1CCCO1)[NH2+]C ZINC000043965899 175127312 /nfs/dbraw/zinc/12/73/12/175127312.db2.gz WIQPIFCWUOPCJG-HOCLYGCPSA-N 1 0 292.423 2.457 10 0 CEAERO CC[NH2+][C@H]1CCCC[C@@H]1N(C)C[C@@H]1CCCCO1 ZINC000043966618 175127784 /nfs/dbraw/zinc/12/77/84/175127784.db2.gz MYUKNXOYDIBYJM-KKUMJFAQSA-N 1 0 254.418 2.408 10 0 CEAERO CCC[NH2+][C@@H](CC)[C@H](C)N(C)Cc1cnn(C)c1 ZINC000043967315 175128469 /nfs/dbraw/zinc/12/84/69/175128469.db2.gz WITFYBVLCXRRQI-JSGCOSHPSA-N 1 0 252.406 2.019 10 0 CEAERO CCOc1ccc([C@H](CN(CC)CCOC)[NH2+]C)cc1 ZINC000043968523 175129740 /nfs/dbraw/zinc/12/97/40/175129740.db2.gz BUQPYFVJDBNQTG-INIZCTEOSA-N 1 0 280.412 2.314 10 0 CEAERO C[NH2+][C@@H](c1ccccc1)[C@H](C)N(CCOC)C1CC1 ZINC000043969613 175130240 /nfs/dbraw/zinc/13/02/40/175130240.db2.gz SKGFLPCKFQMCRY-XJKSGUPXSA-N 1 0 262.397 2.446 10 0 CEAERO CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N(CCCOC)CCOC ZINC000043970968 175131696 /nfs/dbraw/zinc/13/16/96/175131696.db2.gz PHVISCQNQQALPJ-PMPSAXMXSA-N 1 0 286.460 2.138 10 0 CEAERO Cc1ccc([C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000044117000 175142172 /nfs/dbraw/zinc/14/21/72/175142172.db2.gz PCLGQDVYHIIECX-IJEWVQPXSA-N 1 0 263.381 2.446 10 0 CEAERO [NH3+]CCc1c(F)cc(Br)c(F)c1F ZINC000044250054 175156547 /nfs/dbraw/zinc/15/65/47/175156547.db2.gz VZKYQQUWULSKCE-UHFFFAOYSA-N 1 0 254.049 2.368 10 0 CEAERO CCN1C(=O)/C(=C/C=C2/CCC[N@@H+]2CC)OC1=S ZINC000044709869 175235724 /nfs/dbraw/zinc/23/57/24/175235724.db2.gz DECLZXRSXROLLJ-DEFDFUCDSA-N 1 0 266.366 2.034 10 0 CEAERO CC[NH2+][C@H]1CCCc2cc(O[C@H]3CCOC3=O)ccc21 ZINC000044745558 175241821 /nfs/dbraw/zinc/24/18/21/175241821.db2.gz IEKHYFGNTWPXBF-GJZGRUSLSA-N 1 0 275.348 2.368 10 0 CEAERO CC[NH2+][C@@H]1CCCc2cc(OCC(=O)NC3CC3)ccc21 ZINC000044745633 175241941 /nfs/dbraw/zinc/24/19/41/175241941.db2.gz HBONKGBVAZPJIC-MRXNPFEDSA-N 1 0 288.391 2.331 10 0 CEAERO CC[NH2+][C@@H]1CCCc2cc(OCCS(C)(=O)=O)ccc21 ZINC000044745451 175242002 /nfs/dbraw/zinc/24/20/02/175242002.db2.gz MSZKHSLLWRTPHI-OAHLLOKOSA-N 1 0 297.420 2.097 10 0 CEAERO Cc1cc(N)ccc1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000044748946 175244292 /nfs/dbraw/zinc/24/42/92/175244292.db2.gz FXHGDXHWEVKPHR-UHFFFAOYSA-N 1 0 287.407 2.278 10 0 CEAERO [NH3+]CC1(C(=O)NCCc2cccnc2)CCCCCC1 ZINC000044763056 175246998 /nfs/dbraw/zinc/24/69/98/175246998.db2.gz NJSPRCPDZDIREZ-UHFFFAOYSA-N 1 0 275.396 2.040 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)C2(C[NH3+])CCCC2)o1 ZINC000044763680 175247455 /nfs/dbraw/zinc/24/74/55/175247455.db2.gz KSDLUKQPZMCMOK-NSHDSACASA-N 1 0 250.342 2.284 10 0 CEAERO [NH3+]CC1(C(=O)N2CCO[C@H]3CCC[C@H]32)CCCCCC1 ZINC000044764334 175248289 /nfs/dbraw/zinc/24/82/89/175248289.db2.gz NOMBVVIERGJDRJ-KGLIPLIRSA-N 1 0 280.412 2.066 10 0 CEAERO CC(C)[C@H](C[NH3+])C(=O)Nc1cccc2cccnc21 ZINC000044797753 175254609 /nfs/dbraw/zinc/25/46/09/175254609.db2.gz HAZNKWPUWDZRPP-LBPRGKRZSA-N 1 0 257.337 2.404 10 0 CEAERO CC1CCC(NC(=O)[C@@H](C[NH3+])Cc2ccccc2)CC1 ZINC000044796566 175254678 /nfs/dbraw/zinc/25/46/78/175254678.db2.gz VSXPUACAYXCOFD-OGVSOVDVSA-N 1 0 274.408 2.499 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)Nc1cc(OC)cc(OC)c1 ZINC000044798475 175254995 /nfs/dbraw/zinc/25/49/95/175254995.db2.gz ROSCXDVPHOABGA-JTQLQIEISA-N 1 0 266.341 2.017 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)NCC(F)(F)F ZINC000044799073 175255181 /nfs/dbraw/zinc/25/51/81/175255181.db2.gz PFKCDBZXZXBLJW-UHFFFAOYSA-N 1 0 254.296 2.210 10 0 CEAERO CC(C)[C@H](C[NH3+])C(=O)N[C@@H](C)c1cccc(F)c1 ZINC000044806365 175256529 /nfs/dbraw/zinc/25/65/29/175256529.db2.gz LTLQQVNHXFKPCK-GWCFXTLKSA-N 1 0 252.333 2.234 10 0 CEAERO CCN(CC(F)(F)F)C(=O)[C@@H](C[NH3+])Cc1ccccc1 ZINC000044808079 175257157 /nfs/dbraw/zinc/25/71/57/175257157.db2.gz SBWKGKQDHNXNIS-GFCCVEGCSA-N 1 0 288.313 2.215 10 0 CEAERO O=S(=O)(C[C@H]1CCC[NH2+]1)Nc1ccc2ccccc2c1 ZINC000044881436 175269906 /nfs/dbraw/zinc/26/99/06/175269906.db2.gz MZEUZGHLNQPVTL-OAHLLOKOSA-N 1 0 290.388 2.334 10 0 CEAERO C[C@@H](CNc1cc2c(cc1N)OCCO2)[NH+]1CCCCC1 ZINC000044988992 175285753 /nfs/dbraw/zinc/28/57/53/175285753.db2.gz NDEFAXYTSRIIRJ-LBPRGKRZSA-N 1 0 291.395 2.326 10 0 CEAERO CC1(NS(=O)(=O)CC[C@H]2CCCC[NH2+]2)CCCCC1 ZINC000045047163 175296497 /nfs/dbraw/zinc/29/64/97/175296497.db2.gz BYKMWSLKXODBNU-CYBMUJFWSA-N 1 0 288.457 2.161 10 0 CEAERO CC1(NS(=O)(=O)CCC2CC[NH2+]CC2)CCCCC1 ZINC000045047164 175296654 /nfs/dbraw/zinc/29/66/54/175296654.db2.gz IRZWLPJIGYIOBM-UHFFFAOYSA-N 1 0 288.457 2.018 10 0 CEAERO C[N@H+](CC(N)=S)Cc1ccc(C(F)(F)F)cc1 ZINC000045063086 175298808 /nfs/dbraw/zinc/29/88/08/175298808.db2.gz UXWSRNLFZXLTQC-UHFFFAOYSA-N 1 0 262.300 2.423 10 0 CEAERO CCC[NH+]1CCC(C[NH3+])(N(C)CC(C)(C)C)CC1 ZINC000045070645 175301233 /nfs/dbraw/zinc/30/12/33/175301233.db2.gz OCDQXPJOPGSDHY-UHFFFAOYSA-N 1 0 255.450 2.168 10 0 CEAERO C[C@]([NH3+])(C(=O)N1CCC[C@@H]1C1CCCC1)C1CC1 ZINC000045088356 175304033 /nfs/dbraw/zinc/30/40/33/175304033.db2.gz MPSZODUUSMUHIR-UKRRQHHQSA-N 1 0 250.386 2.295 10 0 CEAERO Cc1nc2sccn2c1C[NH2+]CCCCn1ccnc1 ZINC000045106123 175307543 /nfs/dbraw/zinc/30/75/43/175307543.db2.gz RGLDSHWQFKPWAD-UHFFFAOYSA-N 1 0 289.408 2.471 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(S(=O)(=O)N[C@H]2CC2(C)C)cc1 ZINC000045138132 175314428 /nfs/dbraw/zinc/31/44/28/175314428.db2.gz XIEICVWUSDMAAW-RISCZKNCSA-N 1 0 296.436 2.434 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]CC(C)(C)N(C)C ZINC000045168215 175319627 /nfs/dbraw/zinc/31/96/27/175319627.db2.gz DJCNOUNPDRBUOE-SNVBAGLBSA-N 1 0 252.406 2.028 10 0 CEAERO CC[C@@H](C)[NH2+]Cc1nc(-c2c(C)nn(C)c2C)c[nH]1 ZINC000045169497 175319745 /nfs/dbraw/zinc/31/97/45/175319745.db2.gz IVXFLBPAQIWGSC-SECBINFHSA-N 1 0 261.373 2.315 10 0 CEAERO CCC[NH2+][C@@](C)(CCN(CC)c1ccccc1C)C(N)=O ZINC000045223101 175331138 /nfs/dbraw/zinc/33/11/38/175331138.db2.gz AOWWRCYCPHZKLD-KRWDZBQOSA-N 1 0 291.439 2.455 10 0 CEAERO CCOC(=O)[C@](C)(C[N@H+]1C[C@H](C)C[C@H](C)C1)NC1CC1 ZINC000045224561 175332616 /nfs/dbraw/zinc/33/26/16/175332616.db2.gz KIPBRABMUFJBGL-ZENOOKHLSA-N 1 0 282.428 2.038 10 0 CEAERO CC(C)[NH2+][C@@](C)(CC[NH+]1C[C@H](C)C[C@@H](C)C1)C(=O)[O-] ZINC000045224602 175332851 /nfs/dbraw/zinc/33/28/51/175332851.db2.gz ZEOHBASBMAELOI-NFAWXSAZSA-N 1 0 270.417 2.196 10 0 CEAERO CCC[NH+](CCC)CC[C@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000045230416 175335285 /nfs/dbraw/zinc/33/52/85/175335285.db2.gz VPEQCYXMHKPYCN-AWEZNQCLSA-N 1 0 256.390 2.094 10 0 CEAERO CC[N@H+](CC[C@@](C)(NC1CC1)C(=O)OC)CC(C)C ZINC000045264244 175337598 /nfs/dbraw/zinc/33/75/98/175337598.db2.gz CEMLYLCHQUUUMS-OAHLLOKOSA-N 1 0 270.417 2.038 10 0 CEAERO CCOC(=O)[C@](C[N@H+](C)CC)(NC(C)C)c1ccccc1 ZINC000045264633 175338178 /nfs/dbraw/zinc/33/81/78/175338178.db2.gz FVPSLZZKVHEEOT-QGZVFWFLSA-N 1 0 292.423 2.395 10 0 CEAERO CCOC(=O)[C@@](C)(C[N@H+](C)C1CCCC1)NC(C)C ZINC000045266181 175339131 /nfs/dbraw/zinc/33/91/31/175339131.db2.gz FTTYGCVHKWGBCS-OAHLLOKOSA-N 1 0 270.417 2.181 10 0 CEAERO CCC[N@H+](CC[C@@](C)(NCC)C(=O)OCC)C(C)C ZINC000045266932 175339171 /nfs/dbraw/zinc/33/91/71/175339171.db2.gz OMNGELDHRYXTSL-OAHLLOKOSA-N 1 0 272.433 2.428 10 0 CEAERO CCN[C@@](C)(CC[N@H+](CC)[C@@H](C)CC)C(=O)OCC ZINC000045266588 175339235 /nfs/dbraw/zinc/33/92/35/175339235.db2.gz NIVFCMXTXIQVJI-ZFWWWQNUSA-N 1 0 272.433 2.428 10 0 CEAERO CCC[N@H+](CC)C[C@](NC)(C(=O)OC)c1ccccc1 ZINC000045267439 175339799 /nfs/dbraw/zinc/33/97/99/175339799.db2.gz SCULVYPSNJOGGQ-MRXNPFEDSA-N 1 0 278.396 2.006 10 0 CEAERO CCOC(=O)[C@](C)(C[N@H+](C)[C@@H](C)C(C)(C)C)NC1CC1 ZINC000045274757 175345188 /nfs/dbraw/zinc/34/51/88/175345188.db2.gz GJUCYNWSSKZGNC-LRDDRELGSA-N 1 0 284.444 2.427 10 0 CEAERO CCCN[C@@](C)(C[N@H+](CCC)CC1CC1)C(=O)OC ZINC000045276826 175346642 /nfs/dbraw/zinc/34/66/42/175346642.db2.gz RVTRBDHOGSRTNT-HNNXBMFYSA-N 1 0 270.417 2.040 10 0 CEAERO CC(C)C[N@H+](CC[C@](C)([NH2+]C(C)C)C(=O)[O-])C1CC1 ZINC000045277533 175347354 /nfs/dbraw/zinc/34/73/54/175347354.db2.gz KQTHASAXMGDCSP-HNNXBMFYSA-N 1 0 270.417 2.338 10 0 CEAERO COC(=O)[C@](C)(CC[N@H+](CC1CC1)C(C)C)NC1CC1 ZINC000045281062 175350774 /nfs/dbraw/zinc/35/07/74/175350774.db2.gz VAHYQCTULQXWPM-INIZCTEOSA-N 1 0 282.428 2.181 10 0 CEAERO CCOC(=O)[C@@](C)(CC[N@H+](CC(C)C)C(C)C)NC ZINC000045280756 175351438 /nfs/dbraw/zinc/35/14/38/175351438.db2.gz SDHOFKWBKRTXLL-OAHLLOKOSA-N 1 0 272.433 2.284 10 0 CEAERO COC(=O)[C@](C)(CC[N@H+](C)CCC(C)C)NC(C)C ZINC000045281306 175351485 /nfs/dbraw/zinc/35/14/85/175351485.db2.gz JHNSTABBRLURCN-HNNXBMFYSA-N 1 0 272.433 2.284 10 0 CEAERO CCCC[N@H+](C)CCC[C@@](C)(NCC)C(=O)OC ZINC000045368366 175363237 /nfs/dbraw/zinc/36/32/37/175363237.db2.gz HMUWBWMCPQDANB-CQSZACIVSA-N 1 0 258.406 2.040 10 0 CEAERO C[NH2+][C@@](C)(CCCCN1c2ccccc2C[C@@H]1C)C(N)=O ZINC000045369022 175363481 /nfs/dbraw/zinc/36/34/81/175363481.db2.gz XYSKWPUQHBQGHK-GUYCJALGSA-N 1 0 289.423 2.071 10 0 CEAERO CCOC(=O)[C@](C)(N)CCCC[NH+]1CCC(C)CC1 ZINC000045374768 175365545 /nfs/dbraw/zinc/36/55/45/175365545.db2.gz VUAKZUXSGBBQNC-OAHLLOKOSA-N 1 0 270.417 2.169 10 0 CEAERO CC[NH+](CC)CCC[C@](C)(NC(C)C)C(=O)OC ZINC000045375940 175366292 /nfs/dbraw/zinc/36/62/92/175366292.db2.gz JQTVXKOSLAJPGN-AWEZNQCLSA-N 1 0 258.406 2.038 10 0 CEAERO CCN[C@](C)(CCCC[NH+]1CCCCC1)C(=O)OC ZINC000045378250 175367443 /nfs/dbraw/zinc/36/74/43/175367443.db2.gz RQYSTSKBHWDZME-OAHLLOKOSA-N 1 0 270.417 2.184 10 0 CEAERO CCN[C@@](C)(CCCC[N@H+](C)C(C)C)C(=O)OC ZINC000045377973 175367641 /nfs/dbraw/zinc/36/76/41/175367641.db2.gz DSKLJIOEBHWURJ-AWEZNQCLSA-N 1 0 258.406 2.038 10 0 CEAERO C[N@H+](CCCC[C@@](C)([NH3+])C(=O)[O-])C1CCCCC1 ZINC000045378942 175367989 /nfs/dbraw/zinc/36/79/89/175367989.db2.gz ZWPOPRNHKYDYTG-CQSZACIVSA-N 1 0 256.390 2.223 10 0 CEAERO CCOC(=O)[C@@H](C[N@H+]1[C@H](C)CCC[C@@H]1C)NC(C)C ZINC000045379500 175368385 /nfs/dbraw/zinc/36/83/85/175368385.db2.gz ZTBQBFXDRLBDAY-HZSPNIEDSA-N 1 0 270.417 2.179 10 0 CEAERO CCC[NH2+][C@](C)(CCCC[N@H+](C)CCC)C(=O)[O-] ZINC000045382108 175370012 /nfs/dbraw/zinc/37/00/12/175370012.db2.gz MQQWZAGOSXYJTL-CQSZACIVSA-N 1 0 258.406 2.341 10 0 CEAERO CCCN[C@@H](C[N@@H+]1CCCC[C@@H]1CC)C(=O)OCC ZINC000045384021 175371477 /nfs/dbraw/zinc/37/14/77/175371477.db2.gz FEYJHGWABJVBQQ-KBPBESRZSA-N 1 0 270.417 2.182 10 0 CEAERO CCN[C@](C)(CCC[N@H+](CC)C(C)C)C(=O)OC ZINC000045383835 175371545 /nfs/dbraw/zinc/37/15/45/175371545.db2.gz PFVQNSZOPIDSNY-CQSZACIVSA-N 1 0 258.406 2.038 10 0 CEAERO CCCN[C@@H](C[N@H+](CCC)C(C)C)C(=O)OCC ZINC000045385710 175372028 /nfs/dbraw/zinc/37/20/28/175372028.db2.gz UADVNSFPCMKHCH-ZDUSSCGKSA-N 1 0 258.406 2.038 10 0 CEAERO CCC[N@H+](CCC[C@@](C)(NCC)C(=O)OC)C(C)C ZINC000045386011 175372042 /nfs/dbraw/zinc/37/20/42/175372042.db2.gz CMXATUGUKLJJPZ-OAHLLOKOSA-N 1 0 272.433 2.428 10 0 CEAERO COC(=O)[C@](C)(CCCC[N@H+](C)CC1CC1)NC(C)C ZINC000045419927 175377862 /nfs/dbraw/zinc/37/78/62/175377862.db2.gz TWIRZYOAKINZFF-INIZCTEOSA-N 1 0 284.444 2.428 10 0 CEAERO CCCN(CCCC[C@](C)([NH3+])C(=O)OC)CC(F)(F)F ZINC000045420803 175379191 /nfs/dbraw/zinc/37/91/91/175379191.db2.gz GTFJZZBBNQQTDU-LBPRGKRZSA-N 1 0 298.349 2.321 10 0 CEAERO CCCN[C@@H](C[N@H+](C)[C@@H](C)C(C)(C)C)C(=O)OCC ZINC000045420955 175380038 /nfs/dbraw/zinc/38/00/38/175380038.db2.gz RJUMUMURLDZIRR-STQMWFEESA-N 1 0 272.433 2.284 10 0 CEAERO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)O1 ZINC000658218080 415259057 /nfs/dbraw/zinc/25/90/57/415259057.db2.gz HIXPAMKMCDSQBB-DHGKCCLASA-N 1 0 253.386 2.347 10 0 CEAERO CC(C)n1ccnc1C[N@@H+]1CCCC[C@H]1[C@H](C)CO ZINC000661434003 415260833 /nfs/dbraw/zinc/26/08/33/415260833.db2.gz GJWYQZHLVPLIQY-KGLIPLIRSA-N 1 0 265.401 2.447 10 0 CEAERO CN1C[C@H](C[NH2+][C@H]2CCc3cc(Cl)ccc32)CC1=O ZINC000658243157 415277062 /nfs/dbraw/zinc/27/70/62/415277062.db2.gz BPFBHZWBCCCJEM-HZMBPMFUSA-N 1 0 278.783 2.395 10 0 CEAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(C)C2)cc1C ZINC000658245325 415280901 /nfs/dbraw/zinc/28/09/01/415280901.db2.gz RJDLSQYLDVCDHV-KGLIPLIRSA-N 1 0 260.381 2.432 10 0 CEAERO Cc1cc([C@@H](C)[NH2+]C[C@H]2CC(=O)N(C)C2)c(C)s1 ZINC000658244925 415281006 /nfs/dbraw/zinc/28/10/06/415281006.db2.gz NXUVEEYAUUSFLN-ZYHUDNBSSA-N 1 0 266.410 2.494 10 0 CEAERO [NH3+]Cc1ccc2c(c1)CCN2C(=O)c1ccccc1 ZINC000049453352 175478663 /nfs/dbraw/zinc/47/86/63/175478663.db2.gz QXZXZIDXYMHFCZ-UHFFFAOYSA-N 1 0 252.317 2.348 10 0 CEAERO CO[C@H](C(=O)Nc1ccc(C[NH3+])cc1)c1ccccc1 ZINC000050436847 175516220 /nfs/dbraw/zinc/51/62/20/175516220.db2.gz KZZVTMLMCLCIOK-HNNXBMFYSA-N 1 0 270.332 2.472 10 0 CEAERO COc1cc(OC)c([C@H]2CC[NH2+][C@H]2C)c(OC)c1 ZINC000051954206 175528447 /nfs/dbraw/zinc/52/84/47/175528447.db2.gz SHDTZZPNZWCWAK-ONGXEEELSA-N 1 0 251.326 2.178 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1ccc(Br)cn1 ZINC000054305831 175557215 /nfs/dbraw/zinc/55/72/15/175557215.db2.gz JPGBEPIIFHOJPT-SECBINFHSA-N 1 0 298.184 2.172 10 0 CEAERO C[C@H]([NH2+]C1CC(CO)C1)c1cncc(Br)c1 ZINC000658353371 415333904 /nfs/dbraw/zinc/33/39/04/415333904.db2.gz MOXOCQDKGHKMQT-QTZUAFFRSA-N 1 0 285.185 2.266 10 0 CEAERO O[C@H](C[NH2+]CCC1=CCCCC1)COCC1CC1 ZINC000055378648 175577497 /nfs/dbraw/zinc/57/74/97/175577497.db2.gz VBIYUABDXKMMQK-OAHLLOKOSA-N 1 0 253.386 2.254 10 0 CEAERO [NH3+]CCNc1nc(CCc2ccccc2)nc2c1CCC2 ZINC000057328604 175592250 /nfs/dbraw/zinc/59/22/50/175592250.db2.gz FZZHFQHEZQABLO-UHFFFAOYSA-N 1 0 282.391 2.121 10 0 CEAERO Cc1nc(-c2ccc(NC(=O)[C@H]3CC[NH2+]C3)cc2)co1 ZINC000062113686 175663343 /nfs/dbraw/zinc/66/33/43/175663343.db2.gz JOPWTVPUGGAANM-LBPRGKRZSA-N 1 0 271.320 2.198 10 0 CEAERO C[NH+](C)[C@@H]1CCN(Cc2cc(N)ccc2Cl)C1 ZINC000062963831 175678901 /nfs/dbraw/zinc/67/89/01/175678901.db2.gz CRUZPFWTQMBKGA-GFCCVEGCSA-N 1 0 253.777 2.058 10 0 CEAERO C[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)[C@H](C)C1 ZINC000659337381 415525679 /nfs/dbraw/zinc/52/56/79/415525679.db2.gz UFFQZHLLOSQPHI-GWOFURMSSA-N 1 0 278.318 2.031 10 0 CEAERO O=C([C@H]1CCC[NH2+]C1)N1CC[C@@H](C2CCCCC2)C1 ZINC000659357502 415536949 /nfs/dbraw/zinc/53/69/49/415536949.db2.gz JGHJEWQFUJSCCP-LSDHHAIUSA-N 1 0 264.413 2.415 10 0 CEAERO C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)[C@@H]1CCC[NH3+] ZINC000659375493 415547806 /nfs/dbraw/zinc/54/78/06/415547806.db2.gz LENPPNMBIZBOIV-UXXRCYHCSA-N 1 0 264.413 2.399 10 0 CEAERO CCCCCC[NH2+]C[C@H](O)COCc1ccco1 ZINC000070192200 175881595 /nfs/dbraw/zinc/88/15/95/175881595.db2.gz UZCZCGLVGTWSFO-ZDUSSCGKSA-N 1 0 255.358 2.327 10 0 CEAERO Cc1nc(CN(C)[C@@]2(C[NH3+])CCO[C@H](C(C)C)C2)cs1 ZINC000070365356 175894310 /nfs/dbraw/zinc/89/43/10/175894310.db2.gz VVDVJIUZVJSNLA-GJZGRUSLSA-N 1 0 297.468 2.416 10 0 CEAERO CC[C@@H]1C[C@](CN)([N@@H+]2CCCC(C)(C)C2)CCO1 ZINC000070366793 175896702 /nfs/dbraw/zinc/89/67/02/175896702.db2.gz MDJRQGWTIGYXOJ-UKRRQHHQSA-N 1 0 254.418 2.395 10 0 CEAERO Nc1cc[nH+]cc1C[C@@]1(O)CCCc2ccccc21 ZINC000070400113 175909891 /nfs/dbraw/zinc/90/98/91/175909891.db2.gz NPHNAAGNVLULAC-INIZCTEOSA-N 1 0 254.333 2.430 10 0 CEAERO C[NH2+][C@@H](Cc1cccc(C)c1)Cc1cccnc1N ZINC000070407329 175913704 /nfs/dbraw/zinc/91/37/04/175913704.db2.gz SXXRGZJWEBJKAZ-HNNXBMFYSA-N 1 0 255.365 2.345 10 0 CEAERO CCOC(=O)[C@H](C[NH+](CC1CC1)CC1CC1)NC(C)C ZINC000070506888 175959569 /nfs/dbraw/zinc/95/95/69/175959569.db2.gz IGRFNEJJQONYKF-HNNXBMFYSA-N 1 0 282.428 2.038 10 0 CEAERO CCC[NH2+][C@](C)(CO)CCCO[C@H]1CCC[C@H](OC)C1 ZINC000070516483 175965653 /nfs/dbraw/zinc/96/56/53/175965653.db2.gz OWCXQSSNQMKIGY-JYJNAYRXSA-N 1 0 287.444 2.491 10 0 CEAERO CC[NH2+][C@](C)(CO)C[C@H](C)Oc1cccc(COC)c1 ZINC000070516543 175965675 /nfs/dbraw/zinc/96/56/75/175965675.db2.gz MTPJABXQPNCRIF-BBRMVZONSA-N 1 0 281.396 2.351 10 0 CEAERO CC(C)[NH2+][C@@H](CO)CCOc1cccc2cccnc21 ZINC000070517808 175965933 /nfs/dbraw/zinc/96/59/33/175965933.db2.gz LQPNPUASVRASIQ-CQSZACIVSA-N 1 0 274.364 2.363 10 0 CEAERO C[C@H]1COc2ccc([C@@H](O)[C@@H]3CCC[NH2+]C3)cc2OC1 ZINC000070522244 175967564 /nfs/dbraw/zinc/96/75/64/175967564.db2.gz JRKDTXFIEQRGNV-NORZTCDRSA-N 1 0 277.364 2.127 10 0 CEAERO Cc1cc(C)nc(SC[C@](O)(C[NH3+])c2ccccc2)n1 ZINC000070522084 175967643 /nfs/dbraw/zinc/96/76/43/175967643.db2.gz ZNDSBOIYSUCWRQ-OAHLLOKOSA-N 1 0 289.404 2.032 10 0 CEAERO CCC[NH2+]C[C@H](C)CN1C(=O)C(=O)c2cc(C)cc(F)c21 ZINC000070527551 175971872 /nfs/dbraw/zinc/97/18/72/175971872.db2.gz LUTJNSXQFOHYKF-NSHDSACASA-N 1 0 292.354 2.299 10 0 CEAERO CC[NH2+][C@H](c1ccc2c(c1)C(=O)NCC2)[C@H]1C[C@@H]1C ZINC000070536660 175976021 /nfs/dbraw/zinc/97/60/21/175976021.db2.gz ZTAIPJYCZSMCBR-VZJVUDMVSA-N 1 0 258.365 2.279 10 0 CEAERO [NH3+]C[C@]1(CO)C[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000070553470 175982347 /nfs/dbraw/zinc/98/23/47/175982347.db2.gz DAGSJCUPFHOEBB-QWRGUYRKSA-N 1 0 261.243 2.010 10 0 CEAERO CC[NH2+]Cc1csc(N2CCCSCC2)n1 ZINC000070682078 176001525 /nfs/dbraw/zinc/00/15/25/176001525.db2.gz XAJHPHDFLLGBNN-UHFFFAOYSA-N 1 0 257.428 2.196 10 0 CEAERO Cc1nn(-c2ccc(Cl)c(C[NH3+])n2)cc1Cl ZINC000070704771 176002619 /nfs/dbraw/zinc/00/26/19/176002619.db2.gz CWHNWOKFSMXBJE-UHFFFAOYSA-N 1 0 257.124 2.341 10 0 CEAERO [NH3+][C@H]1CCC(=O)N[C@@H]1c1c(Cl)cccc1Cl ZINC000070824359 176007437 /nfs/dbraw/zinc/00/74/37/176007437.db2.gz PPTMLZBXMLQHEM-KWQFWETISA-N 1 0 259.136 2.272 10 0 CEAERO COc1ccccc1NC(=O)N1CCCC[C@H]1CC[NH3+] ZINC000070943757 176016253 /nfs/dbraw/zinc/01/62/53/176016253.db2.gz NGUSBVCTXJXYNV-LBPRGKRZSA-N 1 0 277.368 2.430 10 0 CEAERO [NH3+]CCN(C(=O)c1ccccc1F)C1CCCC1 ZINC000070943614 176016675 /nfs/dbraw/zinc/01/66/75/176016675.db2.gz ITRMYYWGVUZPOU-UHFFFAOYSA-N 1 0 250.317 2.169 10 0 CEAERO Cc1ccc([C@@H]2[C@@H]([NH3+])CCC(=O)N2C(C)C)s1 ZINC000070987026 176018541 /nfs/dbraw/zinc/01/85/41/176018541.db2.gz FCGGCBHSQMPWQD-GWCFXTLKSA-N 1 0 252.383 2.456 10 0 CEAERO Oc1ccc(C[NH2+][C@@H]2CCCOC2)cc1Br ZINC000071012610 176020793 /nfs/dbraw/zinc/02/07/93/176020793.db2.gz FXOGHHHOEXJTAZ-SNVBAGLBSA-N 1 0 286.169 2.423 10 0 CEAERO CC(C)[NH2+][C@H]1CCN(c2ccc(N3CCCC3)cc2)C1=O ZINC000071031286 176022488 /nfs/dbraw/zinc/02/24/88/176022488.db2.gz ZSFBGHBNKSTTJR-INIZCTEOSA-N 1 0 287.407 2.390 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN(c2cccc(F)c2F)C1=O ZINC000071031071 176022517 /nfs/dbraw/zinc/02/25/17/176022517.db2.gz VJFKIAGBPIGKLQ-SNVBAGLBSA-N 1 0 254.280 2.068 10 0 CEAERO CC(C)[NH2+][C@H]1CCN([C@@H](C)Cc2ccc(F)cc2)C1=O ZINC000071031258 176022567 /nfs/dbraw/zinc/02/25/67/176022567.db2.gz IQKUTBYUFVOGHJ-WFASDCNBSA-N 1 0 278.371 2.356 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN([C@@H](C)Cc2ccccc2)C1=O ZINC000071031335 176022659 /nfs/dbraw/zinc/02/26/59/176022659.db2.gz NNMQEPMCWYPNDT-DZGCQCFKSA-N 1 0 260.381 2.217 10 0 CEAERO CC[NH2+][C@@H]1CCCN(C[C@@H]2CCCC[C@@H]2C)C1=O ZINC000071031601 176023035 /nfs/dbraw/zinc/02/30/35/176023035.db2.gz ADJCTEOUMFEHDY-MELADBBJSA-N 1 0 252.402 2.413 10 0 CEAERO CC[NH2+][C@@H]1CCCN([C@H]2C[C@@H]2c2ccccc2)C1=O ZINC000071031702 176023200 /nfs/dbraw/zinc/02/32/00/176023200.db2.gz PFLKCKYRTUXKRV-KFWWJZLASA-N 1 0 258.365 2.143 10 0 CEAERO Cc1ccc([C@@H](C)N2CCC[C@H]([NH2+]C3CC3)C2=O)o1 ZINC000071033756 176024074 /nfs/dbraw/zinc/02/40/74/176024074.db2.gz CDOHXRJJLJTOQT-YPMHNXCESA-N 1 0 262.353 2.392 10 0 CEAERO CC[NH2+][C@H]1CCCN([C@H](C)c2ccc(C)o2)C1=O ZINC000071033748 176024095 /nfs/dbraw/zinc/02/40/95/176024095.db2.gz BWXZZRKSAADGPR-NEPJUHHUSA-N 1 0 250.342 2.250 10 0 CEAERO CC[NH2+][C@H]1CCCN(CCc2ccc(Cl)cc2)C1=O ZINC000071034439 176024901 /nfs/dbraw/zinc/02/49/01/176024901.db2.gz IOMGAOHMCQPDEL-AWEZNQCLSA-N 1 0 280.799 2.483 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCN1C12CC3CC(CC(C3)C1)C2 ZINC000071035700 176025211 /nfs/dbraw/zinc/02/52/11/176025211.db2.gz LZWXJAPNCCHDSO-BGCMAFRMSA-N 1 0 274.408 2.308 10 0 CEAERO CCOc1ccc(N2CC[C@H]([NH2+]C(C)C)C2=O)cc1 ZINC000071035742 176025378 /nfs/dbraw/zinc/02/53/78/176025378.db2.gz XWVIACHFZZOYJL-AWEZNQCLSA-N 1 0 262.353 2.189 10 0 CEAERO CC(C)[NH2+][C@H]1CCN(c2cc(F)ccc2F)C1=O ZINC000071037868 176026351 /nfs/dbraw/zinc/02/63/51/176026351.db2.gz MHGVAQCIFWUCHD-NSHDSACASA-N 1 0 254.280 2.068 10 0 CEAERO CCC[NH2+][C@H]1CCCN([C@@H](C)c2ccco2)C1=O ZINC000071040106 176027074 /nfs/dbraw/zinc/02/70/74/176027074.db2.gz ADWCRXHDJQYEHS-RYUDHWBXSA-N 1 0 250.342 2.331 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCCN1CCc1cccc(F)c1 ZINC000071040536 176027703 /nfs/dbraw/zinc/02/77/03/176027703.db2.gz NCSFSNIUKZUVIM-HNNXBMFYSA-N 1 0 276.355 2.111 10 0 CEAERO CCC[NH2+][C@@H]1CCCN(Cc2cccc(C)c2)C1=O ZINC000071041264 176028250 /nfs/dbraw/zinc/02/82/50/176028250.db2.gz NUEMWRSWNOMWSZ-OAHLLOKOSA-N 1 0 260.381 2.486 10 0 CEAERO CC(C)[NH2+][C@H]1CCN(c2ccc3ncccc3c2)C1=O ZINC000071042559 176028625 /nfs/dbraw/zinc/02/86/25/176028625.db2.gz ODNYIGNUFICGMX-HNNXBMFYSA-N 1 0 269.348 2.338 10 0 CEAERO C[NH2+][C@@H]1CCCN([C@H]2CCCc3sccc32)C1=O ZINC000071042765 176029187 /nfs/dbraw/zinc/02/91/87/176029187.db2.gz CNSVALSSPGXLHV-NEPJUHHUSA-N 1 0 264.394 2.336 10 0 CEAERO CC(C)C[C@H](CO)[NH2+]C[C@H]1OCCc2ccccc21 ZINC000071090799 176031635 /nfs/dbraw/zinc/03/16/35/176031635.db2.gz OEHRJUNRRICTSL-GDBMZVCRSA-N 1 0 263.381 2.297 10 0 CEAERO CC[C@@H]1CCC[C@H](O[C@@H](C[NH3+])c2cnn(C)c2)C1 ZINC000071130590 176035984 /nfs/dbraw/zinc/03/59/84/176035984.db2.gz AWTVCQRTOQJJIB-XBFCOCLRSA-N 1 0 251.374 2.405 10 0 CEAERO C[NH2+]C[C@H]1CCN([C@@H](C)c2nc3ccccc3n2C)C1 ZINC000071142281 176039906 /nfs/dbraw/zinc/03/99/06/176039906.db2.gz KNYNXZLOXAXESK-QWHCGFSZSA-N 1 0 272.396 2.176 10 0 CEAERO CCn1c(C[NH3+])nnc1S[C@@H]1CCC[C@H](C)C1 ZINC000071150266 176044938 /nfs/dbraw/zinc/04/49/38/176044938.db2.gz GHZNBTZPMVMHRT-VHSXEESVSA-N 1 0 254.403 2.428 10 0 CEAERO CC[C@H]1CCCC[C@]1(CN)[N@H+](CCOC)C1CC1 ZINC000071161895 176046215 /nfs/dbraw/zinc/04/62/15/176046215.db2.gz WCSGAWSWYLCRJB-DZGCQCFKSA-N 1 0 254.418 2.395 10 0 CEAERO CC[C@@H]1CN([C@@]2(C[NH3+])CCCC[C@@H]2CC)CCO1 ZINC000071161647 176046647 /nfs/dbraw/zinc/04/66/47/176046647.db2.gz VANLBCDIKUWURE-RRFJBIMHSA-N 1 0 254.418 2.395 10 0 CEAERO CC(C)(C)c1ccccc1NS(=O)(=O)C[C@H]1CCC[NH2+]1 ZINC000071174641 176054187 /nfs/dbraw/zinc/05/41/87/176054187.db2.gz YPKWFNCKFWLGLN-GFCCVEGCSA-N 1 0 296.436 2.478 10 0 CEAERO C[NH2+]Cc1c(O[C@@H]2CCN(C)C2=O)ccc2ccccc21 ZINC000071183002 176057953 /nfs/dbraw/zinc/05/79/53/176057953.db2.gz XXTLPOSMSLBRAO-MRXNPFEDSA-N 1 0 284.359 2.169 10 0 CEAERO CC[NH2+][C@H](C)CCc1ccc(O[C@@H]2CCN(C)C2=O)cc1 ZINC000071182929 176058225 /nfs/dbraw/zinc/05/82/25/176058225.db2.gz KPGVNMPHRRPCIB-CZUORRHYSA-N 1 0 290.407 2.227 10 0 CEAERO CN(C[C@@H]1CC[N@H+](C)C1)c1nc2ccc(N)cc2s1 ZINC000071188385 176062532 /nfs/dbraw/zinc/06/25/32/176062532.db2.gz DBHOTBAPTBGWAW-SNVBAGLBSA-N 1 0 276.409 2.266 10 0 CEAERO CN(Cc1ccc(N)cc1Cl)C[C@@H]1CC[N@H+](C)C1 ZINC000071188151 176062631 /nfs/dbraw/zinc/06/26/31/176062631.db2.gz SLZXKBJWFNKEKI-LLVKDONJSA-N 1 0 267.804 2.306 10 0 CEAERO CN(C[C@H]1CC[N@H+](C)C1)c1c(N)cccc1Cl ZINC000071188432 176063096 /nfs/dbraw/zinc/06/30/96/176063096.db2.gz IMINIEAEVITOOL-JTQLQIEISA-N 1 0 253.777 2.310 10 0 CEAERO CNc1c(F)cc(C(=O)N(C)C[C@H]2CC[N@H+](C)C2)cc1F ZINC000071193132 176075641 /nfs/dbraw/zinc/07/56/41/176075641.db2.gz PLFQRPATYIKJCP-JTQLQIEISA-N 1 0 297.349 2.030 10 0 CEAERO Fc1cc(N2CC[C@H]([NH2+]C3CC3)C2)cc(F)c1F ZINC000071199605 176077025 /nfs/dbraw/zinc/07/70/25/176077025.db2.gz OWHZIQNLTBTYSH-VIFPVBQESA-N 1 0 256.271 2.435 10 0 CEAERO COc1cccc(CN2CCC[C@@H]([NH2+]C3CC3)C2)c1 ZINC000071200072 176077189 /nfs/dbraw/zinc/07/71/89/176077189.db2.gz QTEAGTPPGLUYCK-OAHLLOKOSA-N 1 0 260.381 2.412 10 0 CEAERO Cc1csc(CCN2CCC[C@H]([NH2+]C3CC3)C2)n1 ZINC000071200237 176077614 /nfs/dbraw/zinc/07/76/14/176077614.db2.gz ZICUDKHOYVMVHU-ZDUSSCGKSA-N 1 0 265.426 2.210 10 0 CEAERO CCC[NH2+][C@H]1CCCN(Cc2ccc(OC)nc2)C1 ZINC000071200278 176077845 /nfs/dbraw/zinc/07/78/45/176077845.db2.gz RFPVRNJBZUFGGF-AWEZNQCLSA-N 1 0 263.385 2.054 10 0 CEAERO C[C@H]1CCC[C@H]1[NH2+][C@@H]1CS(=O)(=O)c2ccccc21 ZINC000071207037 176080418 /nfs/dbraw/zinc/08/04/18/176080418.db2.gz REXJPAGICMYCPS-CYZMBNFOSA-N 1 0 265.378 2.293 10 0 CEAERO C[C@H]1CCC[C@H]1[NH2+]Cc1cc(C(N)=O)ccc1F ZINC000071207303 176080896 /nfs/dbraw/zinc/08/08/96/176080896.db2.gz KEFHFFRWUZAIIA-TVQRCGJNSA-N 1 0 250.317 2.203 10 0 CEAERO [NH3+]Cc1ccccc1Cn1cc(C(F)(F)F)ccc1=O ZINC000071211914 176083612 /nfs/dbraw/zinc/08/36/12/176083612.db2.gz BQEGVCUVIHDKOE-UHFFFAOYSA-N 1 0 282.265 2.374 10 0 CEAERO [NH3+]Cc1cc(F)ccc1Cn1ncc2ccccc2c1=O ZINC000071263740 176096413 /nfs/dbraw/zinc/09/64/13/176096413.db2.gz VNTLTDFWVOOLKU-UHFFFAOYSA-N 1 0 283.306 2.043 10 0 CEAERO NC(=S)c1cc(F)ccc1C[N@@H+]1CCCSCC1 ZINC000071265907 176099475 /nfs/dbraw/zinc/09/94/75/176099475.db2.gz YKPVMZKHPZTCNO-UHFFFAOYSA-N 1 0 284.425 2.399 10 0 CEAERO NC(=S)c1cc(F)ccc1C[N@@H+]1CCC[C@@H]1CCCO ZINC000071266237 176099859 /nfs/dbraw/zinc/09/98/59/176099859.db2.gz ROJRQUXTZHDNDH-CYBMUJFWSA-N 1 0 296.411 2.197 10 0 CEAERO NC(=[NH2+])c1cc(F)ccc1CSc1nncs1 ZINC000071268397 176102131 /nfs/dbraw/zinc/10/21/31/176102131.db2.gz RWGBAIHHLGFZNK-UHFFFAOYSA-N 1 0 268.342 2.254 10 0 CEAERO CCOC(=O)CCCCC[N@H+](CCC(N)=S)C(C)C ZINC000071297631 176112722 /nfs/dbraw/zinc/11/27/22/176112722.db2.gz IGVDHPMLKISAJG-UHFFFAOYSA-N 1 0 288.457 2.497 10 0 CEAERO COc1ccc([C@H](C)N(C)[C@@H]2CC[NH2+]C2)cc1OC ZINC000071309351 176116947 /nfs/dbraw/zinc/11/69/47/176116947.db2.gz GBXBKMGJDCKRGR-WCQYABFASA-N 1 0 264.369 2.059 10 0 CEAERO CCOc1cc2c(cc1CN(C)[C@@H]1CC[NH2+]C1)O[C@H](C)C2 ZINC000071309439 176116972 /nfs/dbraw/zinc/11/69/72/176116972.db2.gz XAWAELXGTAFFSC-IUODEOHRSA-N 1 0 290.407 2.202 10 0 CEAERO CCN([C@@H](C)CCc1ccc2c(c1)OCO2)[C@@H]1CC[NH2+]C1 ZINC000071311959 176118784 /nfs/dbraw/zinc/11/87/84/176118784.db2.gz XTPBZQXLGWZOEP-DZGCQCFKSA-N 1 0 290.407 2.420 10 0 CEAERO CCN(C(=O)c1cc(Cl)cn1C1CC1)[C@H]1CC[NH2+]C1 ZINC000071312540 176119095 /nfs/dbraw/zinc/11/90/95/176119095.db2.gz OMDUDEDEVGWTCT-LBPRGKRZSA-N 1 0 281.787 2.300 10 0 CEAERO CCN(Cc1csc(C(C)C)n1)[C@H]1CC[NH2+]C1 ZINC000071314107 176120574 /nfs/dbraw/zinc/12/05/74/176120574.db2.gz YEMHRWMQZBMILE-LBPRGKRZSA-N 1 0 253.415 2.450 10 0 CEAERO CCCN(c1ncnc2sccc21)[C@H]1CC[NH2+]C1 ZINC000071332718 176125548 /nfs/dbraw/zinc/12/55/48/176125548.db2.gz XFUVUVLKDXQUKD-JTQLQIEISA-N 1 0 262.382 2.270 10 0 CEAERO CCCN(c1cc2ccccc2c(=O)[nH]1)[C@@H]1CC[NH2+]C1 ZINC000071332737 176125852 /nfs/dbraw/zinc/12/58/52/176125852.db2.gz CCOSKJGMYIPILW-CYBMUJFWSA-N 1 0 271.364 2.106 10 0 CEAERO CC(C)[C@H]1CN(Cc2ncccn2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000071342139 176130534 /nfs/dbraw/zinc/13/05/34/176130534.db2.gz ZYDQVNKVTSJMBT-GDBMZVCRSA-N 1 0 274.412 2.075 10 0 CEAERO COCCOCC[N@@H+]1CC(C)(C)NC[C@@H]1C1CCCCC1 ZINC000071343011 176131186 /nfs/dbraw/zinc/13/11/86/176131186.db2.gz YGBADIDCTQXAMG-MRXNPFEDSA-N 1 0 298.471 2.282 10 0 CEAERO COc1cccc(CN2CC(C)(C)[NH2+]C[C@@]2(C)C2CC2)n1 ZINC000071343370 176131237 /nfs/dbraw/zinc/13/12/37/176131237.db2.gz RMURLRYLYXMPJF-KRWDZBQOSA-N 1 0 289.423 2.443 10 0 CEAERO CC[C@H]1CN(Cc2cnn(CC)c2)C2(CCCC2)C[NH2+]1 ZINC000071345316 176131329 /nfs/dbraw/zinc/13/13/29/176131329.db2.gz DHAPZIXRELBLJQ-HNNXBMFYSA-N 1 0 276.428 2.400 10 0 CEAERO CC[C@@H]1CN(Cc2cccc(OC)n2)[C@@](C)(CC)C[NH2+]1 ZINC000071344911 176131542 /nfs/dbraw/zinc/13/15/42/176131542.db2.gz IGUADXRXWTVIQL-CJNGLKHVSA-N 1 0 277.412 2.443 10 0 CEAERO CCC[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1Cc1cnn(C)c1 ZINC000071346799 176131872 /nfs/dbraw/zinc/13/18/72/176131872.db2.gz GAPYWZPNRYCAOK-CABCVRRESA-N 1 0 278.444 2.409 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@H](CC(C)C)CN1CCn1cccn1 ZINC000071350294 176133499 /nfs/dbraw/zinc/13/34/99/176133499.db2.gz IZQNUGXKGWOSRG-JKSUJKDBSA-N 1 0 278.444 2.372 10 0 CEAERO Nc1ccn(CCC[N@@H+]2CCC[C@H]2c2cccnc2)n1 ZINC000071352052 176135098 /nfs/dbraw/zinc/13/50/98/176135098.db2.gz RGQOHJGXIWQSAU-AWEZNQCLSA-N 1 0 271.368 2.088 10 0 CEAERO c1cnc(CN2CC3(CCCCC3)[NH2+]C[C@H]2C2CC2)nc1 ZINC000071359716 176137131 /nfs/dbraw/zinc/13/71/31/176137131.db2.gz PRAWTHUTTLRKML-HNNXBMFYSA-N 1 0 286.423 2.363 10 0 CEAERO CC[C@@]1(C)CN(CCn2cccn2)C2(CCCC2)C[NH2+]1 ZINC000071357945 176137475 /nfs/dbraw/zinc/13/74/75/176137475.db2.gz PJOBUXUOCAAAFI-HNNXBMFYSA-N 1 0 276.428 2.270 10 0 CEAERO Cn1c(C[NH3+])nnc1SCc1ccc(Cl)cc1 ZINC000071373618 176139262 /nfs/dbraw/zinc/13/92/62/176139262.db2.gz HZWAQWWMXHMXGD-UHFFFAOYSA-N 1 0 268.773 2.220 10 0 CEAERO NC(=[NH2+])c1cc2ccccc2nc1OC[C@@H]1CCCO1 ZINC000071390323 176148476 /nfs/dbraw/zinc/14/84/76/176148476.db2.gz XTDXYKVQKZSBMT-NSHDSACASA-N 1 0 271.320 2.077 10 0 CEAERO CC[NH+](CC)CCCNC(=O)c1ccc(N)c(Cl)c1 ZINC000071394844 176149865 /nfs/dbraw/zinc/14/98/65/176149865.db2.gz NKPJVYNLNMNLRK-UHFFFAOYSA-N 1 0 283.803 2.384 10 0 CEAERO C[NH2+]Cc1cc(C)ccc1OCC(=O)NC(C)(C)C ZINC000071403716 176155305 /nfs/dbraw/zinc/15/53/05/176155305.db2.gz CBSMMNYARYJNCV-UHFFFAOYSA-N 1 0 264.369 2.008 10 0 CEAERO Cc1ccc(O[C@H]2CCOC2=O)c(C[NH2+]CC(C)C)c1 ZINC000071407326 176156228 /nfs/dbraw/zinc/15/62/28/176156228.db2.gz CWLBYFWKMGPUDY-HNNXBMFYSA-N 1 0 277.364 2.435 10 0 CEAERO CNC(=O)CCOc1ccc(C)cc1C[NH2+]C(C)(C)C ZINC000071407115 176156299 /nfs/dbraw/zinc/15/62/99/176156299.db2.gz JUYKTOIWCDZMKP-UHFFFAOYSA-N 1 0 278.396 2.398 10 0 CEAERO CCNC(=O)[C@@H](C)Oc1ccc(C)cc1C[NH2+]C(C)C ZINC000071406634 176156452 /nfs/dbraw/zinc/15/64/52/176156452.db2.gz IICRPKHUGVXFLM-CYBMUJFWSA-N 1 0 278.396 2.396 10 0 CEAERO COc1ccc2c(ccn(C3CC[NH+](C)CC3)c2=O)c1 ZINC000071503262 176192927 /nfs/dbraw/zinc/19/29/27/176192927.db2.gz XGHHCZQMPAMNSI-UHFFFAOYSA-N 1 0 272.348 2.277 10 0 CEAERO COc1cc([C@H](CO)[NH2+]C(C)C)c(OC)cc1C ZINC000071574798 176201934 /nfs/dbraw/zinc/20/19/34/176201934.db2.gz SPQXTBMSCVOXCN-LBPRGKRZSA-N 1 0 253.342 2.044 10 0 CEAERO [NH3+][C@@H](CO)CCOc1ccc(-c2ccccc2)cc1 ZINC000071582476 176207440 /nfs/dbraw/zinc/20/74/40/176207440.db2.gz MFLNKEHSEXTVAW-OAHLLOKOSA-N 1 0 257.333 2.442 10 0 CEAERO [NH3+][C@@H](CO)COc1ccc(Oc2ccccc2)cc1 ZINC000071585256 176210838 /nfs/dbraw/zinc/21/08/38/176210838.db2.gz NSNYDZPYIPVYKK-LBPRGKRZSA-N 1 0 259.305 2.177 10 0 CEAERO COC[C@@H]([NH3+])c1ccc(OC)c(Br)c1 ZINC000071585896 176211695 /nfs/dbraw/zinc/21/16/95/176211695.db2.gz VOGPLRCMUUHOQC-SECBINFHSA-N 1 0 260.131 2.104 10 0 CEAERO O[C@@]1(Cc2cccc(Br)c2)CCC[NH2+]C1 ZINC000071601331 176228434 /nfs/dbraw/zinc/22/84/34/176228434.db2.gz CBOGOKGSUDGFDG-GFCCVEGCSA-N 1 0 270.170 2.106 10 0 CEAERO Cc1ccc(C[N@@H+]2CCC[C@@](O)(CO)CC2)cc1C ZINC000072154105 176327923 /nfs/dbraw/zinc/32/79/23/176327923.db2.gz HIKOBVNEPHGJRL-INIZCTEOSA-N 1 0 263.381 2.013 10 0 CEAERO NC(=O)c1ccccc1Oc1cccc([C@@H]2CCC[NH2+]C2)n1 ZINC000072364669 176379769 /nfs/dbraw/zinc/37/97/69/176379769.db2.gz VZESULMAQDIWPI-GFCCVEGCSA-N 1 0 297.358 2.440 10 0 CEAERO Cc1cnc(N2CCC[C@@H](C3CC[NH2+]CC3)C2)nc1C ZINC000656609088 415784489 /nfs/dbraw/zinc/78/44/89/415784489.db2.gz LTISZLDCMNNLNC-OAHLLOKOSA-N 1 0 274.412 2.309 10 0 CEAERO O=C(NC1CCC(C2CCC2)CC1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000662734517 415948602 /nfs/dbraw/zinc/94/86/02/415948602.db2.gz BUGPYOKXYQKGMM-GNRIBBGQSA-N 1 0 268.376 2.162 10 0 CEAERO Cc1cc(C(=O)NCCC[NH+](C)C)ccc1OC(C)C ZINC000074949352 176639814 /nfs/dbraw/zinc/63/98/14/176639814.db2.gz JWOVYFYZGZGWEM-UHFFFAOYSA-N 1 0 278.396 2.464 10 0 CEAERO [NH3+]CCOc1c(F)cc(F)cc1Br ZINC000075914142 176828477 /nfs/dbraw/zinc/82/84/77/176828477.db2.gz CGMYKNZJRKEIDW-UHFFFAOYSA-N 1 0 252.058 2.065 10 0 CEAERO C[NH2+]CC(=O)N[C@@H](C)c1cc(C(C)C)ccc1OC ZINC000076368857 177005773 /nfs/dbraw/zinc/00/57/73/177005773.db2.gz XLAXKANKFPEBGY-NSHDSACASA-N 1 0 264.369 2.215 10 0 CEAERO CC[C@H](C)NC(=O)[C@H](CC[NH3+])c1ccc(F)cc1 ZINC000076656570 177045986 /nfs/dbraw/zinc/04/59/86/177045986.db2.gz DWELZSSIFXKWKK-GXFFZTMASA-N 1 0 252.333 2.173 10 0 CEAERO CC[C@H](C)NC(=O)[C@@H](CC[NH3+])c1ccc(F)cc1 ZINC000076656565 177045999 /nfs/dbraw/zinc/04/59/99/177045999.db2.gz DWELZSSIFXKWKK-GWCFXTLKSA-N 1 0 252.333 2.173 10 0 CEAERO COc1cccc(N(CC[NH3+])Cc2ccccn2)c1 ZINC000076664288 177050421 /nfs/dbraw/zinc/05/04/21/177050421.db2.gz JTNMZWMYMQNNQO-UHFFFAOYSA-N 1 0 257.337 2.056 10 0 CEAERO [NH3+]CCN(Cc1cccnc1)Cc1cccc(F)c1 ZINC000076668726 177052468 /nfs/dbraw/zinc/05/24/68/177052468.db2.gz PRSLALPCBCIDIC-UHFFFAOYSA-N 1 0 259.328 2.182 10 0 CEAERO CC[C@@H](CCC[NH3+])C(=O)Nc1ccc2c(c1)OCO2 ZINC000076679669 177057388 /nfs/dbraw/zinc/05/73/88/177057388.db2.gz BEWVZDCBENGSSB-JTQLQIEISA-N 1 0 264.325 2.119 10 0 CEAERO Cc1cc2nc([C@@H](C)[NH3+])cn2cc1Br ZINC000076792492 177097201 /nfs/dbraw/zinc/09/72/01/177097201.db2.gz FCZFXPDNZUKLAH-SSDOTTSWSA-N 1 0 254.131 2.425 10 0 CEAERO Cc1nc(C)c(C[NH2+]C[C@H](C(C)C)N(C)C)s1 ZINC000076866007 177125228 /nfs/dbraw/zinc/12/52/28/177125228.db2.gz KXOLTIPKVHWQKQ-GFCCVEGCSA-N 1 0 255.431 2.436 10 0 CEAERO CCn1ccnc1C[N@H+](C(C)C)C1CCOCC1 ZINC000077323649 177253284 /nfs/dbraw/zinc/25/32/84/177253284.db2.gz IUQOKHDXOITBNG-UHFFFAOYSA-N 1 0 251.374 2.292 10 0 CEAERO COCCC[C@H]1CCCC[N@@H+]1Cc1nnc(C)o1 ZINC000077390689 177262416 /nfs/dbraw/zinc/26/24/16/177262416.db2.gz DFCMLLPXIJDRES-GFCCVEGCSA-N 1 0 253.346 2.159 10 0 CEAERO Cc1nc2sccn2c1C[NH2+]CCCn1cccn1 ZINC000077400548 177263176 /nfs/dbraw/zinc/26/31/76/177263176.db2.gz HYHIANOIJOAITP-UHFFFAOYSA-N 1 0 275.381 2.081 10 0 CEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1CC=CCC1 ZINC000077570013 177281756 /nfs/dbraw/zinc/28/17/56/177281756.db2.gz BXPZSWKBXMJLAP-KGLIPLIRSA-N 1 0 267.417 2.371 10 0 CEAERO CC[C@H]([NH2+]C[C@@H]1CN(CC)CCO1)c1ccccc1 ZINC000078516235 177348792 /nfs/dbraw/zinc/34/87/92/177348792.db2.gz FVKWZGUSSJRCMD-CVEARBPZSA-N 1 0 262.397 2.448 10 0 CEAERO CCC[NH2+]C[C@@H](O)c1ccc(OC)c(OC)c1Cl ZINC000078626006 177361757 /nfs/dbraw/zinc/36/17/57/177361757.db2.gz KQZNBYOJLWUPEZ-SNVBAGLBSA-N 1 0 273.760 2.390 10 0 CEAERO Cc1cc(C[NH2+]C[C@H](O)C2CC2)c2ccccc2n1 ZINC000078739413 177379777 /nfs/dbraw/zinc/37/97/77/177379777.db2.gz JQPPMUFXUVNQMS-INIZCTEOSA-N 1 0 256.349 2.404 10 0 CEAERO CC(=O)Nc1ccc(NC(=O)CC[C@H](C)CC[NH3+])cc1 ZINC000079079194 177429911 /nfs/dbraw/zinc/42/99/11/177429911.db2.gz LYRQSNZSTRDKJE-NSHDSACASA-N 1 0 277.368 2.349 10 0 CEAERO COc1ccc(CN(C)C(=O)CC[C@H](C)CC[NH3+])cc1 ZINC000079118173 177436377 /nfs/dbraw/zinc/43/63/77/177436377.db2.gz SBRFCSRCSMBRNN-ZDUSSCGKSA-N 1 0 278.396 2.419 10 0 CEAERO CCOc1cccc(CNC(=O)CC[C@@H](C)CC[NH3+])c1 ZINC000079117954 177436514 /nfs/dbraw/zinc/43/65/14/177436514.db2.gz LCAGKBBXEPEQTF-CYBMUJFWSA-N 1 0 278.396 2.467 10 0 CEAERO CC[C@H](CC[NH3+])CCC(=O)OC[C@@H]1CCCCO1 ZINC000079202364 177444476 /nfs/dbraw/zinc/44/44/76/177444476.db2.gz CDPSVGRDALLSDO-STQMWFEESA-N 1 0 257.374 2.254 10 0 CEAERO CC[C@H](CC[NH3+])CCC(=O)N(C)CCc1ccccn1 ZINC000079207415 177445986 /nfs/dbraw/zinc/44/59/86/177445986.db2.gz WUMDOCPDDRYXFQ-AWEZNQCLSA-N 1 0 277.412 2.238 10 0 CEAERO CC[C@H](CC[NH3+])CCC(=O)NCCCOC(C)C ZINC000079212040 177447426 /nfs/dbraw/zinc/44/74/26/177447426.db2.gz 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ZINC000127005325 264246300 /nfs/dbraw/zinc/24/63/00/264246300.db2.gz ZUBJOQAESFEWCG-BLYZHGLHSA-N 1 0 252.402 2.460 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC[C@@H]2C)C1 ZINC000185920918 270246868 /nfs/dbraw/zinc/24/68/68/270246868.db2.gz OAXLWSVZUJTBER-IHRRRGAJSA-N 1 0 252.402 2.413 10 0 CEAERO CCC[C@H](C(=O)NCCc1cc(C)c(O)c(C)c1)[NH+](C)C ZINC000188745212 270258073 /nfs/dbraw/zinc/25/80/73/270258073.db2.gz QVKMDGORTSPUPI-OAHLLOKOSA-N 1 0 292.423 2.398 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(F)cc2OC)C1 ZINC000194335405 270296607 /nfs/dbraw/zinc/29/66/07/270296607.db2.gz FRAMVDLDTSWNIO-GFCCVEGCSA-N 1 0 295.358 2.440 10 0 CEAERO O=C(Cn1ccc2ccccc21)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195049675 270305672 /nfs/dbraw/zinc/30/56/72/270305672.db2.gz GVVPRUXABDQIFH-INIZCTEOSA-N 1 0 297.402 2.338 10 0 CEAERO Cc1ncc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)s1 ZINC000195221871 270307098 /nfs/dbraw/zinc/30/70/98/270307098.db2.gz DHBQWFUWHSDWFR-CYBMUJFWSA-N 1 0 289.404 2.484 10 0 CEAERO CC[C@@](C)(O)C[N@@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000229977551 270313269 /nfs/dbraw/zinc/31/32/69/270313269.db2.gz FKZWNANHSWARHS-OAHLLOKOSA-N 1 0 286.416 2.090 10 0 CEAERO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC(=O)N[C@@H]2C)C1 ZINC000392866157 270341336 /nfs/dbraw/zinc/34/13/36/270341336.db2.gz HKYQOCDJJVOMAA-YIYPIFLZSA-N 1 0 252.402 2.458 10 0 CEAERO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000392885227 270341520 /nfs/dbraw/zinc/34/15/20/270341520.db2.gz AWHNXHKHXALREQ-OPRDCNLKSA-N 1 0 266.307 2.364 10 0 CEAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C)CC(C)(C)C1 ZINC000392868163 270341929 /nfs/dbraw/zinc/34/19/29/270341929.db2.gz ITIUWRWUIDRYTD-MROQNXINSA-N 1 0 252.402 2.458 10 0 CEAERO CC[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)c1cccs1 ZINC000393023738 270341987 /nfs/dbraw/zinc/34/19/87/270341987.db2.gz SSDKVVQEMQEWAW-VWYCJHECSA-N 1 0 252.383 2.456 10 0 CEAERO CCCCOC[C@H](O)C[NH+]1C[C@@H](CC)O[C@H](CC)C1 ZINC000398692097 270361534 /nfs/dbraw/zinc/36/15/34/270361534.db2.gz SHGMJYRAXAPXNB-RBSFLKMASA-N 1 0 273.417 2.053 10 0 CEAERO COc1cccc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)c1 ZINC000398760704 270361984 /nfs/dbraw/zinc/36/19/84/270361984.db2.gz BWUDQUTWYUQNLC-RRFJBIMHSA-N 1 0 261.365 2.288 10 0 CEAERO Brc1cccnc1N[C@H]1CCC[NH2+]C1 ZINC000070950254 273476205 /nfs/dbraw/zinc/47/62/05/273476205.db2.gz NEFXAQTZJWBBRB-QMMMGPOBSA-N 1 0 256.147 2.008 10 0 CEAERO C[C@@H]1CN(c2ccnc(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000261590714 274365740 /nfs/dbraw/zinc/36/57/40/274365740.db2.gz XDZSNBFQDUSWKR-SCZZXKLOSA-N 1 0 259.275 2.274 10 0 CEAERO Cc1cc(N2CC[C@@H]([NH3+])[C@@H](C)C2)ncc1Br ZINC000231753519 274709495 /nfs/dbraw/zinc/70/94/95/274709495.db2.gz MBDAYSOVRHGECW-GXSJLCMTSA-N 1 0 284.201 2.326 10 0 CEAERO [NH3+][C@H]1CCCc2cc(Br)ccc2[C@@H]1O ZINC000008699471 274962908 /nfs/dbraw/zinc/96/29/08/274962908.db2.gz FSXATJHMTWILTN-QWRGUYRKSA-N 1 0 256.143 2.146 10 0 CEAERO O=C([C@@H]1CCCc2cccnc21)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000194162542 275005136 /nfs/dbraw/zinc/00/51/36/275005136.db2.gz YNQPZYZJYSYGDO-HZPDHXFCSA-N 1 0 299.418 2.198 10 0 CEAERO C/C(=C\c1ccccc1)C[NH2+]C[C@H](C)N1CCOCC1 ZINC000102420656 275401072 /nfs/dbraw/zinc/40/10/72/275401072.db2.gz ALJGOLDBZPIHNO-STTHAQSSSA-N 1 0 274.408 2.400 10 0 CEAERO CC(C)(C)C1CCN(C(=O)[C@@H]([NH3+])C2CCOCC2)CC1 ZINC000261895121 275509745 /nfs/dbraw/zinc/50/97/45/275509745.db2.gz VXFQXDZTCNHEEN-AWEZNQCLSA-N 1 0 282.428 2.025 10 0 CEAERO CC1(C)CCC(CNC(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000261585897 275810431 /nfs/dbraw/zinc/81/04/31/275810431.db2.gz UBLUVRHNDLRRKM-ZDUSSCGKSA-N 1 0 252.402 2.319 10 0 CEAERO CC1(C)CN(C(=O)c2noc3c2CCCCC3)CC[C@@H]1[NH3+] ZINC000335050881 275843702 /nfs/dbraw/zinc/84/37/02/275843702.db2.gz HFTHXDWPGHAMIG-ZDUSSCGKSA-N 1 0 291.395 2.143 10 0 CEAERO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]C[C@@H](O)C(F)(F)F ZINC000249422547 275909135 /nfs/dbraw/zinc/90/91/35/275909135.db2.gz HSFSWBOZTPWEAB-GARJFASQSA-N 1 0 269.307 2.093 10 0 CEAERO CC(C)[C@H]1[N@H+](CC2(O)CCCC2)C[C@]12CCCO2 ZINC000334527563 276034838 /nfs/dbraw/zinc/03/48/38/276034838.db2.gz GHAATUMLVBIIBR-UKRRQHHQSA-N 1 0 253.386 2.181 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2C[C@@H]3CCCC[C@@H]3C2)C1 ZINC000177437541 276375063 /nfs/dbraw/zinc/37/50/63/276375063.db2.gz WUHKNNSBWYUASV-ZNMIVQPWSA-N 1 0 279.428 2.302 10 0 CEAERO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)N1CCOCC1 ZINC000181738074 276462752 /nfs/dbraw/zinc/46/27/52/276462752.db2.gz LFPHJDICAAJBPJ-RBSFLKMASA-N 1 0 254.418 2.266 10 0 CEAERO CN1C(=O)C[C@@H]([NH2+]CC2(O)CCCCC2)c2ccccc21 ZINC000087017008 277012048 /nfs/dbraw/zinc/01/20/48/277012048.db2.gz SDOJKFRRQUCJCY-CQSZACIVSA-N 1 0 288.391 2.379 10 0 CEAERO CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000088445886 277749019 /nfs/dbraw/zinc/74/90/19/277749019.db2.gz VMDOOLBETQBMGB-OPRDCNLKSA-N 1 0 266.307 2.207 10 0 CEAERO C[C@@H]1CN(C(=O)c2cc3c(s2)CCCCC3)C[C@@H]1[NH3+] ZINC000235372873 278682966 /nfs/dbraw/zinc/68/29/66/278682966.db2.gz PKHSEWZPRIJCQD-PWSUYJOCSA-N 1 0 278.421 2.436 10 0 CEAERO CC(C)CC1(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)CCCC1 ZINC000155251433 278737696 /nfs/dbraw/zinc/73/76/96/278737696.db2.gz AOUWKDXJBYWPPK-HNNXBMFYSA-N 1 0 296.455 2.382 10 0 CEAERO Cc1ccc2nc(CN3CC[C@@H](C)C[C@@H]3C[NH3+])cn2c1 ZINC000235363267 278900006 /nfs/dbraw/zinc/90/00/06/278900006.db2.gz NWMCVBZWBGMZSE-IUODEOHRSA-N 1 0 272.396 2.202 10 0 CEAERO Cc1ccccc1[C@H](C)[NH2+]C1CCS(=O)(=O)CC1 ZINC000035652290 278962812 /nfs/dbraw/zinc/96/28/12/278962812.db2.gz CQCCXCYDUDORTG-LBPRGKRZSA-N 1 0 267.394 2.223 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1nc2c(s1)CCCC2 ZINC000335535423 279031046 /nfs/dbraw/zinc/03/10/46/279031046.db2.gz MNXNGRKRVWUDNL-UWVGGRQHSA-N 1 0 279.409 2.349 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CC[C@@H]1CC[C@@H](C)O1 ZINC000245422769 279297186 /nfs/dbraw/zinc/29/71/86/279297186.db2.gz AIHAAMWFEHAXTB-KFWWJZLASA-N 1 0 282.428 2.277 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC(C)(C)C ZINC000177428042 279324981 /nfs/dbraw/zinc/32/49/81/279324981.db2.gz MSNWUIPLDMVAPQ-LBPRGKRZSA-N 1 0 255.406 2.158 10 0 CEAERO C[C@H](Cn1cccn1)[NH2+][C@@H]1CCOc2ccccc21 ZINC000037155071 279387591 /nfs/dbraw/zinc/38/75/91/279387591.db2.gz FTFRQPOJHMGWHB-TZMCWYRMSA-N 1 0 257.337 2.385 10 0 CEAERO CC[C@H](OC1CCCCC1)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000157887802 288136024 /nfs/dbraw/zinc/13/60/24/288136024.db2.gz PFIHSTOJHKTLEY-YUELXQCFSA-N 1 0 282.428 2.358 10 0 CEAERO Fc1cccc(Cc2noc(C[C@H]3CCC[NH2+]C3)n2)c1 ZINC000054301494 279640427 /nfs/dbraw/zinc/64/04/27/279640427.db2.gz ODKVFEKHYBBQCA-GFCCVEGCSA-N 1 0 275.327 2.342 10 0 CEAERO CC(C)CC[NH+]1CCC(CNC(=O)N[C@H]2C[C@H]2C)CC1 ZINC000080217480 279690021 /nfs/dbraw/zinc/69/00/21/279690021.db2.gz NIHZBFZYLSTHCL-HIFRSBDPSA-N 1 0 281.444 2.452 10 0 CEAERO C[C@H]1NC(=O)CC[C@@H]1Nc1cc[nH+]c2ccccc12 ZINC000281660552 280040796 /nfs/dbraw/zinc/04/07/96/280040796.db2.gz ONMCJLTUXBOIFU-PWSUYJOCSA-N 1 0 255.321 2.314 10 0 CEAERO CCCC[C@H](NC[C@H]1CCC[N@@H+]1CC(C)C)C(=O)OC ZINC000135256328 280040824 /nfs/dbraw/zinc/04/08/24/280040824.db2.gz NKXDDRKPXLYZSU-CABCVRRESA-N 1 0 284.444 2.428 10 0 CEAERO C[C@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@@H]1N1CCOCC1 ZINC000177239112 280103185 /nfs/dbraw/zinc/10/31/85/280103185.db2.gz ZOEWPALVMLGYQD-LRDDRELGSA-N 1 0 296.361 2.117 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1cc(Cl)c2ccccc2n1 ZINC000335469058 280113686 /nfs/dbraw/zinc/11/36/86/280113686.db2.gz GSSFWFBNGBHWKU-JOYOIKCWSA-N 1 0 289.766 2.450 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)NCc2ccc(C(F)F)cc2)C1 ZINC000185703727 280125569 /nfs/dbraw/zinc/12/55/69/280125569.db2.gz KDMNXCGZHXKZBD-CYBMUJFWSA-N 1 0 297.349 2.470 10 0 CEAERO CC(C)c1nc2c(n1C)CC[N@H+](CC[C@H]1CCCO1)C2 ZINC000189228462 280146887 /nfs/dbraw/zinc/14/68/87/280146887.db2.gz FSORBYWGZKUEHS-CYBMUJFWSA-N 1 0 277.412 2.471 10 0 CEAERO Cc1c(CN2C[C@@H](C)[NH2+]Cc3ccccc32)cnn1C ZINC000334879238 280226064 /nfs/dbraw/zinc/22/60/64/280226064.db2.gz AMWCJDAAAMCUNI-GFCCVEGCSA-N 1 0 270.380 2.227 10 0 CEAERO Cc1c(C[NH2+][C@H]2CCOc3ccccc32)cnn1C ZINC000093649752 280227838 /nfs/dbraw/zinc/22/78/38/280227838.db2.gz OJFOZTVNVFNFQM-AWEZNQCLSA-N 1 0 257.337 2.342 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000245753460 280259674 /nfs/dbraw/zinc/25/96/74/280259674.db2.gz ZBNXWOABJXGYJY-LXTVHRRPSA-N 1 0 297.443 2.068 10 0 CEAERO COCCC1(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)CCC1 ZINC000246032401 280270576 /nfs/dbraw/zinc/27/05/76/280270576.db2.gz PZPKJZNESUJLSW-UONOGXRCSA-N 1 0 282.428 2.038 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CC[C@@H](C)C2)C1 ZINC000246424309 280292848 /nfs/dbraw/zinc/29/28/48/280292848.db2.gz CUCJVDFUFKAKKB-MCIONIFRSA-N 1 0 252.402 2.413 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1C[C@H]1C1CC1 ZINC000246457711 280294784 /nfs/dbraw/zinc/29/47/84/280294784.db2.gz NDDXMPIAFDAMOO-RDBSUJKOSA-N 1 0 252.402 2.125 10 0 CEAERO Cc1cc(Br)ccc1C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000261551861 280309663 /nfs/dbraw/zinc/30/96/63/280309663.db2.gz MLQQGIBFMXBEAZ-BXKDBHETSA-N 1 0 297.196 2.319 10 0 CEAERO CC[C@@H]1CN(C(=O)C[C@@H]2CC[C@@H](C)C2)CC[N@@H+]1C[C@@H](C)O ZINC000247659206 280337429 /nfs/dbraw/zinc/33/74/29/280337429.db2.gz PVAKYVWQIPBBFO-KLHDSHLOSA-N 1 0 296.455 2.116 10 0 CEAERO CC(=O)N[C@@H]1CCC[N@@H+](C[C@H]2CCCC[C@@H]2C)C1 ZINC000248483889 280349793 /nfs/dbraw/zinc/34/97/93/280349793.db2.gz JQEWTANGBLROCN-NWANDNLSSA-N 1 0 252.402 2.413 10 0 CEAERO CCCCOC[C@@H](O)C[N@H+]([C@H](C)C1CC1)C1CC1 ZINC000248662654 280358612 /nfs/dbraw/zinc/35/86/12/280358612.db2.gz YSFZADIRPBWJSC-DOMZBBRYSA-N 1 0 255.402 2.427 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1C[C@H]1C(C)C ZINC000249289287 280391286 /nfs/dbraw/zinc/39/12/86/280391286.db2.gz JWIAMBRXUCXQPZ-RDBSUJKOSA-N 1 0 252.402 2.221 10 0 CEAERO CCc1cccc(C[N@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000249291121 280391348 /nfs/dbraw/zinc/39/13/48/280391348.db2.gz MJRXLVPKCSBABQ-YJBOKZPZSA-N 1 0 288.435 2.402 10 0 CEAERO CCc1nccn1[C@@H]1CCC[N@H+](C[C@H](C)COC)C1 ZINC000249457104 280398028 /nfs/dbraw/zinc/39/80/28/280398028.db2.gz DQLDDAHMVPQZLN-UONOGXRCSA-N 1 0 265.401 2.365 10 0 CEAERO Cc1cc(C)cc(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)c1 ZINC000106379424 280417595 /nfs/dbraw/zinc/41/75/95/280417595.db2.gz QFDYPBBGZVBNEC-QGZVFWFLSA-N 1 0 274.408 2.256 10 0 CEAERO [NH3+]CC[C@H](Nc1ccc(C(F)(F)F)cn1)C(F)F ZINC000394829024 280670892 /nfs/dbraw/zinc/67/08/92/280670892.db2.gz YTUBLJATLAOFPE-ZETCQYMHSA-N 1 0 269.217 2.495 10 0 CEAERO CC1(C)CCC[C@H]1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000174982188 281064804 /nfs/dbraw/zinc/06/48/04/281064804.db2.gz AOTBDFWATHNRBD-ZIAGYGMSSA-N 1 0 279.428 2.445 10 0 CEAERO Cc1cccc(C(=O)N2CC[NH2+][C@H](C)C2)c1Br ZINC000189007223 281191177 /nfs/dbraw/zinc/19/11/77/281191177.db2.gz SLIQHJMTKCZVCY-SNVBAGLBSA-N 1 0 297.196 2.191 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000245470963 288304366 /nfs/dbraw/zinc/30/43/66/288304366.db2.gz XBLBURHQBIPIQJ-ZSAUSMIDSA-N 1 0 262.397 2.118 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(F)nc1 ZINC000189564719 281194899 /nfs/dbraw/zinc/19/48/99/281194899.db2.gz ZWZFAXHCGLZQTH-UONOGXRCSA-N 1 0 263.360 2.279 10 0 CEAERO Cc1cccc(NC(=O)[C@H]2CCCN2C2CC[NH2+]CC2)c1 ZINC000038042953 281241777 /nfs/dbraw/zinc/24/17/77/281241777.db2.gz REKLZVFXZBHDGD-MRXNPFEDSA-N 1 0 287.407 2.150 10 0 CEAERO CC[C@]1(C)CCCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261879808 281310276 /nfs/dbraw/zinc/31/02/76/281310276.db2.gz YXGBQXYSRIJQFA-UMVBOHGHSA-N 1 0 252.402 2.400 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000111264223 288326119 /nfs/dbraw/zinc/32/61/19/288326119.db2.gz ROEACTSMFIHHNC-SYQHCUMBSA-N 1 0 250.386 2.023 10 0 CEAERO CN(C)C(=O)C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000151719835 289065533 /nfs/dbraw/zinc/06/55/33/289065533.db2.gz HLVMWVPHPKZUCA-GFCCVEGCSA-N 1 0 297.196 2.114 10 0 CEAERO CC(=O)N[C@@H]1CCC[N@H+](Cc2sccc2C)C1 ZINC000153901698 289126928 /nfs/dbraw/zinc/12/69/28/289126928.db2.gz KSFDJMQLNAKEFX-GFCCVEGCSA-N 1 0 252.383 2.157 10 0 CEAERO CC(C)[C@@H](O)CC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000157209847 289209475 /nfs/dbraw/zinc/20/94/75/289209475.db2.gz JWJKCMUDJTUGIN-KGLIPLIRSA-N 1 0 284.444 2.020 10 0 CEAERO Cn1c(C[NH2+]C[C@H](O)C(C)(C)C)nc2ccccc21 ZINC000304007565 289270059 /nfs/dbraw/zinc/27/00/59/289270059.db2.gz BBLCDPYZRWXONY-ZDUSSCGKSA-N 1 0 261.369 2.070 10 0 CEAERO C[C@H](CC[NH2+][C@H]1CCn2ccnc21)NC(=O)OC(C)(C)C ZINC000294074180 289492412 /nfs/dbraw/zinc/49/24/12/289492412.db2.gz LBEKIVVQVWVEFJ-NEPJUHHUSA-N 1 0 294.399 2.221 10 0 CEAERO C[C@H](O)CN1CC[N@H+](CC2CCC(C)CC2)C[C@@H]1C ZINC000245784847 290112830 /nfs/dbraw/zinc/11/28/30/290112830.db2.gz UYCCRWXPTHQYOP-PYBGIAKNSA-N 1 0 268.445 2.200 10 0 CEAERO C[C@H](c1ccccc1F)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000246938311 290266225 /nfs/dbraw/zinc/26/62/25/290266225.db2.gz JXXJNLZYMSGHHO-ZIAGYGMSSA-N 1 0 278.371 2.293 10 0 CEAERO C[C@H]1CCCN(c2ccc(Br)cn2)[C@H]1C[NH3+] ZINC000252125263 290453669 /nfs/dbraw/zinc/45/36/69/290453669.db2.gz JZIFNDASHMKQNK-ONGXEEELSA-N 1 0 284.201 2.408 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@H]1CCO[C@H]1c1ccccc1 ZINC000261748948 295272281 /nfs/dbraw/zinc/27/22/81/295272281.db2.gz MLNQWHVIAZVXAA-WCVJEAGWSA-N 1 0 288.391 2.008 10 0 CEAERO COc1ccc2c3c1O[C@H]1C(OC)=CC=C4[C@@H](C2)[NH2+]CC[C@@]341 ZINC000065748263 295278648 /nfs/dbraw/zinc/27/86/48/295278648.db2.gz QKQQEIVDLRUZRP-UUWFMWQGSA-N 1 0 297.354 2.082 10 0 in-vitro CEAERO [NH3+][C@H]1CCC[C@H](C(=O)N2CCC(C(F)(F)F)CC2)C1 ZINC000088420857 295337178 /nfs/dbraw/zinc/33/71/78/295337178.db2.gz OMVQQXCHKDOKQD-ONGXEEELSA-N 1 0 278.318 2.305 10 0 CEAERO COCCC1CC[NH+](C[C@@H]2CCC[C@H](O)C2)CC1 ZINC000528580790 297839128 /nfs/dbraw/zinc/83/91/28/297839128.db2.gz IABBKMJRAIWKRS-CABCVRRESA-N 1 0 255.402 2.286 10 0 CEAERO C[C@H]1C[N@H+](C[C@H]2CCCC[C@H]2C)C[C@@H]1N1CCOCC1 ZINC000248488911 300267447 /nfs/dbraw/zinc/26/74/47/300267447.db2.gz MQRZKFPDQBMNOJ-TWMKSMIVSA-N 1 0 280.456 2.465 10 0 CEAERO [NH3+]C1(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)CCC1 ZINC000147746099 303356196 /nfs/dbraw/zinc/35/61/96/303356196.db2.gz KKCIXLAKRBXWCX-DTWKUNHWSA-N 1 0 264.291 2.105 10 0 CEAERO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCC[C@@H]3CCC[C@@H]32)C1 ZINC000227164813 303462532 /nfs/dbraw/zinc/46/25/32/303462532.db2.gz JVPIDZDBIMTCNT-FQUUOJAGSA-N 1 0 250.386 2.295 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000085364446 303487120 /nfs/dbraw/zinc/48/71/20/303487120.db2.gz DYMKUNMGLFXSDH-LXKPXOPUSA-N 1 0 278.318 2.351 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)N1CCC[C@H]1C1CCC1 ZINC000577124176 314344524 /nfs/dbraw/zinc/34/45/24/314344524.db2.gz IXWPYHZRGGTCCJ-JSGCOSHPSA-N 1 0 250.386 2.167 10 0 CEAERO Cc1cnc(C(C)(C)[NH2+]C[C@@H](O)COC(C)(C)C)s1 ZINC000183916233 321723992 /nfs/dbraw/zinc/72/39/92/321723992.db2.gz IJSUOMRWBFSYKN-LLVKDONJSA-N 1 0 286.441 2.452 10 0 CEAERO Cc1ccc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c(Cl)c1 ZINC000191251908 321787803 /nfs/dbraw/zinc/78/78/03/321787803.db2.gz RGTWBAOVCUVIMM-LBPRGKRZSA-N 1 0 296.798 2.051 10 0 CEAERO [NH3+]C[C@H](Nc1ccnc2cccnc21)C1CCCCC1 ZINC000379183365 321824949 /nfs/dbraw/zinc/82/49/49/321824949.db2.gz UTOSEQALOMJEMT-HNNXBMFYSA-N 1 0 270.380 2.371 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CC2CCC1CC2 ZINC000381689331 321836357 /nfs/dbraw/zinc/83/63/57/321836357.db2.gz NHPSNWCSZJEYDA-RSUORJDLSA-N 1 0 264.413 2.173 10 0 CEAERO CCS(=O)(=O)c1ccc(N[C@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000382453504 321840155 /nfs/dbraw/zinc/84/01/55/321840155.db2.gz OUOFILYDNZELKF-YPMHNXCESA-N 1 0 282.409 2.020 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1ccc2c(c1)CCCO2 ZINC000383874766 321849996 /nfs/dbraw/zinc/84/99/96/321849996.db2.gz VEQMVFSQDAGGQZ-LBPRGKRZSA-N 1 0 274.364 2.340 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@@H](C[NH3+])[C@@H]1c1cccnc1 ZINC000396153471 326985755 /nfs/dbraw/zinc/98/57/55/326985755.db2.gz CFEYMEPCXVSBOI-WCQYABFASA-N 1 0 277.368 2.338 10 0 CEAERO Nc1ncccc1CN1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000077436508 327132485 /nfs/dbraw/zinc/13/24/85/327132485.db2.gz GXCVTCVXBWSZIG-HNNXBMFYSA-N 1 0 288.439 2.362 10 0 CEAERO OC1CC(C[NH2+]Cc2cccc(Br)c2F)C1 ZINC000394935016 329218827 /nfs/dbraw/zinc/21/88/27/329218827.db2.gz PCEISBIDEGBLTL-UHFFFAOYSA-N 1 0 288.160 2.449 10 0 CEAERO CC(C)(C)[NH2+]Cc1nnnn1-c1cc(Cl)ccc1F ZINC000054745085 518769038 /nfs/dbraw/zinc/76/90/38/518769038.db2.gz NTDMMNROVJEZHQ-UHFFFAOYSA-N 1 0 283.738 2.343 10 0 CEAERO CC(C)(C)[NH2+]Cc1nnnn1-c1cccc(Cl)c1 ZINC000054744299 518770876 /nfs/dbraw/zinc/77/08/76/518770876.db2.gz UCXGZEDSWPZHNM-UHFFFAOYSA-N 1 0 265.748 2.204 10 0 CEAERO CC(C)[NH2+]C[C@H]1CC[C@H](Cn2ccc(C(F)(F)F)n2)O1 ZINC000052592660 519725546 /nfs/dbraw/zinc/72/55/46/519725546.db2.gz NRROJBSYDOQPPX-GHMZBOCLSA-N 1 0 291.317 2.448 10 0 CEAERO CC(C)[NH2+][C@@](CSC(C)(C)C)(C(N)=O)C1CC1 ZINC000069185220 519737761 /nfs/dbraw/zinc/73/77/61/519737761.db2.gz VXQRUSVUVNSUKE-CYBMUJFWSA-N 1 0 258.431 2.150 10 0 CEAERO CC(C)C[NH2+]C[C@@H]1CC[C@H](Cn2cc(Cl)cn2)O1 ZINC000052577289 519745358 /nfs/dbraw/zinc/74/53/58/519745358.db2.gz PSTQKNQFBZIJIQ-QWHCGFSZSA-N 1 0 271.792 2.330 10 0 CEAERO CCC1CC[NH+]([C@@H](C)C[C@@](C)(NC(C)C)C(N)=O)CC1 ZINC000068638337 519859478 /nfs/dbraw/zinc/85/94/78/519859478.db2.gz STOVSMDHMIDAEV-XJKSGUPXSA-N 1 0 283.460 2.129 10 0 CEAERO CCOCCC[NH2+]CCN(C)Cc1cccs1 ZINC000053381195 519896679 /nfs/dbraw/zinc/89/66/79/519896679.db2.gz WQFJXHQJSJYJSY-UHFFFAOYSA-N 1 0 256.415 2.196 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N[C@@H]1CCc2ccccc2C1 ZINC000061299411 519905636 /nfs/dbraw/zinc/90/56/36/519905636.db2.gz LJBISKFUDACCDL-CQSZACIVSA-N 1 0 260.381 2.048 10 0 CEAERO CCC[NH2+]Cc1cc(C)ccc1OC[C@H](O)COCC ZINC000069276255 519944646 /nfs/dbraw/zinc/94/46/46/519944646.db2.gz MSFGLTGQIZPIQB-OAHLLOKOSA-N 1 0 281.396 2.271 10 0 CEAERO CCC[NH2+]Cc1cccc(N(C)CCCOC)n1 ZINC000062035921 519954205 /nfs/dbraw/zinc/95/42/05/519954205.db2.gz PGXQEHJYFIUDHY-UHFFFAOYSA-N 1 0 251.374 2.054 10 0 CEAERO CC[NH2+]C[C@H]1CC[C@@H](COc2cccc(OC)c2)O1 ZINC000052655244 519978761 /nfs/dbraw/zinc/97/87/61/519978761.db2.gz PWEKMWKKQGSVOV-CABCVRRESA-N 1 0 265.353 2.231 10 0 CEAERO CC[NH2+]C[C@H]1C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000054590612 519982099 /nfs/dbraw/zinc/98/20/99/519982099.db2.gz NRTBFCRAIQRTQE-VXGBXAGGSA-N 1 0 265.353 2.425 10 0 CEAERO CCCN[C@@H](CC[N@H+](CC)[C@@H](C)CC)C(=O)OC ZINC000062446584 519994998 /nfs/dbraw/zinc/99/49/98/519994998.db2.gz MZKDOHMQYWBOLP-STQMWFEESA-N 1 0 258.406 2.038 10 0 CEAERO CCC[NH2+][C@@H](c1ccc(F)cc1F)[C@@H]1COCCO1 ZINC000055300562 520018617 /nfs/dbraw/zinc/01/86/17/520018617.db2.gz BPFOXNJUJBRLCB-KBPBESRZSA-N 1 0 271.307 2.421 10 0 CEAERO CC[NH2+]Cc1nnnn1[C@H](CC)C1CCCCC1 ZINC000054746859 520028556 /nfs/dbraw/zinc/02/85/56/520028556.db2.gz HXSPKSGCURNGNT-GFCCVEGCSA-N 1 0 251.378 2.314 10 0 CEAERO CCCN[C@@](C)(C[C@@H](C)[N@H+](CCC)CC1CC1)C(N)=O ZINC000068632030 520040199 /nfs/dbraw/zinc/04/01/99/520040199.db2.gz MCDVQEYQKPSSLU-CJNGLKHVSA-N 1 0 283.460 2.131 10 0 CEAERO CCC[NH2+][C@H](CCSc1ccc(OC)cc1)C(N)=O ZINC000062599092 520078261 /nfs/dbraw/zinc/07/82/61/520078261.db2.gz XZCJKYJTASGOTK-CYBMUJFWSA-N 1 0 282.409 2.031 10 0 CEAERO CCN[C@@H](CC[N@@H+]1CCC[C@@H](CC)C1)C(=O)OCC ZINC000062449626 520088949 /nfs/dbraw/zinc/08/89/49/520088949.db2.gz HQEKKMSDCABIJX-KGLIPLIRSA-N 1 0 270.417 2.040 10 0 CEAERO CCC[NH2+][C@H](c1ccc(OC)cc1)[C@H]1COCCO1 ZINC000055300435 520091347 /nfs/dbraw/zinc/09/13/47/520091347.db2.gz XTELAPXCQLWKCD-HUUCEWRRSA-N 1 0 265.353 2.151 10 0 CEAERO CC[NH2+][C@@H]1CCOC[C@@H]1Oc1cc(F)cc(F)c1 ZINC000054932615 520121096 /nfs/dbraw/zinc/12/10/96/520121096.db2.gz QJFVVESEDKEOFH-OLZOCXBDSA-N 1 0 257.280 2.111 10 0 CEAERO CCCNc1cc(C[N@H+](C)[C@@H](C)COC)ccn1 ZINC000052724772 520136888 /nfs/dbraw/zinc/13/68/88/520136888.db2.gz NGEZAOLSJJHURC-LBPRGKRZSA-N 1 0 251.374 2.370 10 0 CEAERO CCN[C@@](C)(C[C@H](C)[NH+]1CCC(C)CC1)C(=O)OCC ZINC000068618621 520145952 /nfs/dbraw/zinc/14/59/52/520145952.db2.gz MCQKYVMZSRXWAG-HOCLYGCPSA-N 1 0 284.444 2.428 10 0 CEAERO CCCCC[N@H+](C)C[C@](NCCC)(C(=O)OC)C1CC1 ZINC000069098317 520150996 /nfs/dbraw/zinc/15/09/96/520150996.db2.gz NPWVZFQXLGSNFB-MRXNPFEDSA-N 1 0 284.444 2.430 10 0 CEAERO CCOC[C@H](O)COc1ccc(C)cc1[C@H](C)[NH2+]C ZINC000069275530 520164570 /nfs/dbraw/zinc/16/45/70/520164570.db2.gz FULICNAXKWIIHK-STQMWFEESA-N 1 0 267.369 2.052 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1nc(CC)c(C)s1 ZINC000061274141 520172621 /nfs/dbraw/zinc/17/26/21/520172621.db2.gz AYWOEBOUIXKLAY-MRVPVSSYSA-N 1 0 255.387 2.341 10 0 CEAERO CCN[C@](C[N@H+](C)C1CCCCC1)(C(=O)OC)C1CC1 ZINC000069095900 520243243 /nfs/dbraw/zinc/24/32/43/520243243.db2.gz NOQWVQKFLAMCDZ-INIZCTEOSA-N 1 0 282.428 2.182 10 0 CEAERO CC1(C)CC[NH+](Cc2cccnc2C(N)=S)CC1 ZINC000061820071 520379465 /nfs/dbraw/zinc/37/94/65/520379465.db2.gz UOASJIPNTVIXAW-UHFFFAOYSA-N 1 0 263.410 2.338 10 0 CEAERO CCCC[N@H+](CC)C[C@](NC)(C(=O)OCC)C1CC1 ZINC000069090271 520479465 /nfs/dbraw/zinc/47/94/65/520479465.db2.gz AUNXMVAXHMNURZ-OAHLLOKOSA-N 1 0 270.417 2.040 10 0 CEAERO CC1(C)COCCN1c1ccc(Cl)cc1C[NH3+] ZINC000052857097 520506612 /nfs/dbraw/zinc/50/66/12/520506612.db2.gz RYMJNHFQRWEASR-UHFFFAOYSA-N 1 0 254.761 2.414 10 0 CEAERO CCOC(=O)[C@H](CC[N@H+](C)[C@@H](C)C1CC1)NC(C)C ZINC000062449438 521242619 /nfs/dbraw/zinc/24/26/19/521242619.db2.gz QWGWWMNKEKJOGI-JSGCOSHPSA-N 1 0 270.417 2.037 10 0 CEAERO CCN(C[C@H](C)C[NH3+])C(=O)c1cccc(F)c1F ZINC000054187468 521248782 /nfs/dbraw/zinc/24/87/82/521248782.db2.gz PDDJEUZXLIAROU-SECBINFHSA-N 1 0 256.296 2.022 10 0 CEAERO CCC(C)(C)[N@H+](C)CC(=O)Nc1ccc(C[NH3+])cc1 ZINC000069429366 521302312 /nfs/dbraw/zinc/30/23/12/521302312.db2.gz OBTMDNPRNKGBDZ-UHFFFAOYSA-N 1 0 263.385 2.204 10 0 CEAERO CCC(C)(C)N(C)S(=O)(=O)Cc1cccc(C[NH3+])c1 ZINC000069446310 521306648 /nfs/dbraw/zinc/30/66/48/521306648.db2.gz CHESWTFGGSZDNX-UHFFFAOYSA-N 1 0 284.425 2.096 10 0 CEAERO CCC(CC)(CO)[NH2+]C[C@H](O)c1ccc(F)cc1F ZINC000053070537 521459026 /nfs/dbraw/zinc/45/90/26/521459026.db2.gz JIGKKVAJBLKKJO-ZDUSSCGKSA-N 1 0 273.323 2.139 10 0 CEAERO CCCc1nc(N(C)[C@H](C)COC)sc1C[NH2+]C ZINC000054998842 521528471 /nfs/dbraw/zinc/52/84/71/521528471.db2.gz VEQAWGNTGBQFHZ-SNVBAGLBSA-N 1 0 271.430 2.286 10 0 CEAERO CCCN(CC[NH+](C)C)Cc1cccnc1NCC ZINC000052727991 521658184 /nfs/dbraw/zinc/65/81/84/521658184.db2.gz MTAOHMMZYZAMBE-UHFFFAOYSA-N 1 0 264.417 2.287 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N1CC=C(c2ccccc2)CC1 ZINC000061317079 521933149 /nfs/dbraw/zinc/93/31/49/521933149.db2.gz ZIXCIQLPIKMPPI-UHFFFAOYSA-N 1 0 258.365 2.300 10 0 CEAERO C[NH2+]CCc1nnc(Cc2cccc(Cl)c2)o1 ZINC000052945658 522022876 /nfs/dbraw/zinc/02/28/76/522022876.db2.gz BIRFFETUCPCRFZ-UHFFFAOYSA-N 1 0 251.717 2.076 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(c2ncc([C@@H](C)O)s2)CC1 ZINC000055076433 522136037 /nfs/dbraw/zinc/13/60/37/522136037.db2.gz ZKLVXTOFWXIDNY-GHMZBOCLSA-N 1 0 269.414 2.117 10 0 CEAERO C[NH2+][C@H](C)c1cnc(N2CCSC[C@@H]2C)s1 ZINC000069762120 522453160 /nfs/dbraw/zinc/45/31/60/522453160.db2.gz RQFXOBWDUGQCCN-DTWKUNHWSA-N 1 0 257.428 2.365 10 0 CEAERO CC(C)COC[C@@]([NH2+]C(C)C)(C(N)=O)c1ccccc1 ZINC000045501832 517424125 /nfs/dbraw/zinc/42/41/25/517424125.db2.gz VHZJRHSUWBBXLV-INIZCTEOSA-N 1 0 278.396 2.038 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1nnnn1C)c1ccc(Cl)cc1 ZINC000042950035 517771890 /nfs/dbraw/zinc/77/18/90/517771890.db2.gz SSPAYNRSCZFMQS-MNOVXSKESA-N 1 0 297.815 2.434 10 0 CEAERO C[C@H](C[N@@H+]1CCC[C@H](C(F)(F)F)C1)C(N)=S ZINC000083879763 518182059 /nfs/dbraw/zinc/18/20/59/518182059.db2.gz SJGNTMVAEWMIGC-SFYZADRCSA-N 1 0 254.321 2.183 10 0 CEAERO Cc1nnc(N(C)CC[NH2+]C(C)C)c2ccccc12 ZINC000053706973 518193916 /nfs/dbraw/zinc/19/39/16/518193916.db2.gz OWFKHXGJJBPHJQ-UHFFFAOYSA-N 1 0 258.369 2.372 10 0 CEAERO CC(C)(C)[NH2+]Cc1cc(F)ccc1N1CCC[C@@H]1C(N)=O ZINC000062734982 518764585 /nfs/dbraw/zinc/76/45/85/518764585.db2.gz LMUULZGJKUWGSP-CQSZACIVSA-N 1 0 293.386 2.168 10 0 CEAERO CC(C)(C)[NH2+]Cc1nnnn1[C@H]1CCCc2ccccc21 ZINC000054746455 518770932 /nfs/dbraw/zinc/77/09/32/518770932.db2.gz UAQKGAUZDIGCRI-AWEZNQCLSA-N 1 0 285.395 2.487 10 0 CEAERO CC(C)(C)c1ccc(C[NH2+][C@@H]2CCCNC2=O)s1 ZINC000149763647 519032751 /nfs/dbraw/zinc/03/27/51/519032751.db2.gz XZXUSUKIHUVINW-LLVKDONJSA-N 1 0 266.410 2.414 10 0 CEAERO CC(C)(C)n1ccnc(Oc2cccc(F)c2C[NH3+])c1=O ZINC000061770696 519168343 /nfs/dbraw/zinc/16/83/43/519168343.db2.gz GRVDXTGUDRJUIT-UHFFFAOYSA-N 1 0 291.326 2.388 10 0 CEAERO CC(C)([NH3+])CCC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000070087079 519297511 /nfs/dbraw/zinc/29/75/11/519297511.db2.gz ZEIBCEAOVPUITO-UHFFFAOYSA-N 1 0 264.413 2.445 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)Nc1ccnc(C(=O)N(C)C)c1 ZINC000049558163 519344367 /nfs/dbraw/zinc/34/43/67/519344367.db2.gz IFBUAIIJGRRVFM-CQSZACIVSA-N 1 0 292.427 2.172 10 0 CEAERO CC(C)Cn1ccnc(NC[C@H](C)[NH+]2CCCCC2)c1=O ZINC000061763908 519518978 /nfs/dbraw/zinc/51/89/78/519518978.db2.gz BGIPJQRELBSPIV-AWEZNQCLSA-N 1 0 292.427 2.186 10 0 CEAERO CC(C)CCNC(=O)[C@@H](C)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063190398 519658198 /nfs/dbraw/zinc/65/81/98/519658198.db2.gz YDOLSDDDCJBOJK-OWCLPIDISA-N 1 0 295.471 2.144 10 0 CEAERO CC(C)CN(CCC[NH3+])C(=O)CC[C@@H]1CCCCO1 ZINC000069383640 519715225 /nfs/dbraw/zinc/71/52/25/519715225.db2.gz LMPVRVYGKZMWLY-AWEZNQCLSA-N 1 0 270.417 2.169 10 0 CEAERO CC(C)[NH2+]C[C@H]1CCCN1CCOCC(F)(F)F ZINC000053649077 519725359 /nfs/dbraw/zinc/72/53/59/519725359.db2.gz CGKLKJSVHSFHQM-LLVKDONJSA-N 1 0 268.323 2.028 10 0 CEAERO CC(C)[NH2+]Cc1ccoc1CN1C[C@H](C)O[C@@H](C)C1 ZINC000052380296 519727733 /nfs/dbraw/zinc/72/77/33/519727733.db2.gz ZMOWKYPVMLYMJN-STQMWFEESA-N 1 0 266.385 2.387 10 0 CEAERO CC(C)[NH2+]Cc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC000054744871 519729804 /nfs/dbraw/zinc/72/98/04/519729804.db2.gz DBCYZNDZPCPFST-UHFFFAOYSA-N 1 0 285.273 2.179 10 0 CEAERO CC(C)[NH2+]Cc1sc(N2CCN(C)CC2)nc1C1CC1 ZINC000069146659 519729951 /nfs/dbraw/zinc/72/99/51/519729951.db2.gz BUPFTWPAPHYTCA-UHFFFAOYSA-N 1 0 294.468 2.270 10 0 CEAERO CC(C)[NH2+][C@@](C)(C[C@H](C)n1cnc2ccccc21)C(N)=O ZINC000068648954 519736994 /nfs/dbraw/zinc/73/69/94/519736994.db2.gz NYBUAJKEDZIMSG-LRDDRELGSA-N 1 0 288.395 2.229 10 0 CEAERO CC(C)[NH2+][C@@](CO[C@@H]1CCCC[C@@H]1C)(C(N)=O)C1CC1 ZINC000069196139 519737695 /nfs/dbraw/zinc/73/76/95/519737695.db2.gz VZRQQTMHWNGJCG-JGGQBBKZSA-N 1 0 282.428 2.214 10 0 CEAERO CC(C)N[C@](C[N@H+](C)CC1CCCCC1)(C(N)=O)C1CC1 ZINC000069183949 519740680 /nfs/dbraw/zinc/74/06/80/519740680.db2.gz HDSYAIDQBCNWSP-KRWDZBQOSA-N 1 0 295.471 2.131 10 0 CEAERO CC(C)C[NH2+]C[C@@H](C)n1nnc(-c2ccccc2)n1 ZINC000052574708 519744796 /nfs/dbraw/zinc/74/47/96/519744796.db2.gz CTHBRTGDFWUPSF-GFCCVEGCSA-N 1 0 259.357 2.147 10 0 CEAERO CC(C)C[NH2+]C[C@H]1CCCN1c1ncnc2c1CCC2 ZINC000061278262 519746119 /nfs/dbraw/zinc/74/61/19/519746119.db2.gz CFZNNILDUUNONI-CYBMUJFWSA-N 1 0 274.412 2.180 10 0 CEAERO CC(C)C[NH2+]Cc1nnnn1[C@H]1CCCc2ccccc21 ZINC000054746430 519748924 /nfs/dbraw/zinc/74/89/24/519748924.db2.gz OQMMNOGKCGRHGT-HNNXBMFYSA-N 1 0 285.395 2.344 10 0 CEAERO CC(C)C[NH2+]Cc1nnnn1[C@H](C)c1ccc(F)cc1 ZINC000054747369 519749093 /nfs/dbraw/zinc/74/90/93/519749093.db2.gz KIZLPWJLCKQSSM-LLVKDONJSA-N 1 0 277.347 2.167 10 0 CEAERO CC(C)C[NH2+][C@@H](C(N)=O)c1ccc2ncccc2c1 ZINC000069503106 519749234 /nfs/dbraw/zinc/74/92/34/519749234.db2.gz ICTQYBLBOXXTNE-CQSZACIVSA-N 1 0 257.337 2.007 10 0 CEAERO CC(C)CSC[C@]([NH2+]C(C)C)(C(N)=O)C1CC1 ZINC000069184216 519769605 /nfs/dbraw/zinc/76/96/05/519769605.db2.gz KAPNFVYRDUFFSQ-CYBMUJFWSA-N 1 0 258.431 2.008 10 0 CEAERO CC(C)Oc1cccc(-c2nc(C[C@@H](C)[NH3+])no2)c1 ZINC000061667137 519782230 /nfs/dbraw/zinc/78/22/30/519782230.db2.gz LYWNUWAIPOHKDE-SNVBAGLBSA-N 1 0 261.325 2.414 10 0 CEAERO CC(C)Oc1cccc(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)c1 ZINC000070076014 519782276 /nfs/dbraw/zinc/78/22/76/519782276.db2.gz QNBQMGRUTTYOTE-BETUJISGSA-N 1 0 276.380 2.296 10 0 CEAERO CC(C)Oc1cccc(C(=O)N2CCC[C@@H]([NH3+])C2)c1 ZINC000061666826 519782288 /nfs/dbraw/zinc/78/22/88/519782288.db2.gz KBACOCQTMFFKCG-CYBMUJFWSA-N 1 0 262.353 2.037 10 0 CEAERO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cccc2c1NCCC2 ZINC000050957974 519793503 /nfs/dbraw/zinc/79/35/03/519793503.db2.gz VUPNZNPVCJQLBD-OAHLLOKOSA-N 1 0 289.423 2.361 10 0 CEAERO CC(C)[C@@H](CN(C)C)[NH2+]CC1(O)CCCCCC1 ZINC000049204480 519793615 /nfs/dbraw/zinc/79/36/15/519793615.db2.gz QEPRVTSEAUXJIK-CQSZACIVSA-N 1 0 256.434 2.248 10 0 CEAERO CC(C)[C@@H](C[NH+](C)C)Nc1cc2c(cc1N)CCC(=O)N2 ZINC000049194802 519793878 /nfs/dbraw/zinc/79/38/78/519793878.db2.gz YSRORUHVMTXRHJ-OAHLLOKOSA-N 1 0 290.411 2.152 10 0 CEAERO CC(C)[C@@H]1CC[C@H]([NH3+])[C@H](N2CCOCC2(C)C)C1 ZINC000054555361 519803334 /nfs/dbraw/zinc/80/33/34/519803334.db2.gz FFBAIPJOJCSFQS-HZSPNIEDSA-N 1 0 254.418 2.249 10 0 CEAERO CC(C)[C@@H]1CN(C[C@@H]2CCCO2)[C@H](C(C)C)C[NH2+]1 ZINC000062625512 519804260 /nfs/dbraw/zinc/80/42/60/519804260.db2.gz XEWDXRVZFGXOCG-KKUMJFAQSA-N 1 0 254.418 2.120 10 0 CEAERO CC(C)[C@H](C[NH+](C)C)Nc1cc2c(cc1N)OCCO2 ZINC000049194641 519815004 /nfs/dbraw/zinc/81/50/04/519815004.db2.gz OOGHUKDXHVZMDH-ZDUSSCGKSA-N 1 0 279.384 2.038 10 0 CEAERO CC(C)c1ccc(S(=O)(=O)N2[C@H](C)C[NH2+]C[C@@H]2C)cc1 ZINC000069133795 519838631 /nfs/dbraw/zinc/83/86/31/519838631.db2.gz UEEZPZJSKJXNCX-BETUJISGSA-N 1 0 296.436 2.181 10 0 CEAERO CC(C)c1ccc(SCC[C@H]([NH3+])C(N)=O)cc1 ZINC000062598608 519838881 /nfs/dbraw/zinc/83/88/81/519838881.db2.gz UGRWVYYATHPABB-LBPRGKRZSA-N 1 0 252.383 2.105 10 0 CEAERO CC(C)c1cccc(OCC(=O)N[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000158044761 519842896 /nfs/dbraw/zinc/84/28/96/519842896.db2.gz HJFCMLFUAFEUCO-GDBMZVCRSA-N 1 0 290.407 2.432 10 0 CEAERO CCC[NH+]1CCC(NC(=O)c2cccc(F)c2NC)CC1 ZINC000054212206 519846360 /nfs/dbraw/zinc/84/63/60/519846360.db2.gz AWCYTYKLLYPUOF-UHFFFAOYSA-N 1 0 293.386 2.472 10 0 CEAERO CCC1CCN(C(=O)[C@@H]2[C@H](C)CCC[C@@H]2[NH3+])CC1 ZINC000055134699 519858368 /nfs/dbraw/zinc/85/83/68/519858368.db2.gz CSGLVIIUFWDVHD-KWCYVHTRSA-N 1 0 252.402 2.399 10 0 CEAERO CCCC(=O)N1CCN(c2ccc3[nH]c(C)[nH+]c3c2)CC1 ZINC000062578625 519869148 /nfs/dbraw/zinc/86/91/48/519869148.db2.gz HICXZDPSXMNZPC-UHFFFAOYSA-N 1 0 286.379 2.320 10 0 CEAERO CCCNC(=O)C[NH2+]C[C@@H]1CCCc2ccccc21 ZINC000070164353 519880400 /nfs/dbraw/zinc/88/04/00/519880400.db2.gz LOANUSHJCXTIJK-AWEZNQCLSA-N 1 0 260.381 2.222 10 0 CEAERO CCCn1nccc1[C@H]([NH3+])Cc1csc(C)n1 ZINC000069472253 519892427 /nfs/dbraw/zinc/89/24/27/519892427.db2.gz WPWOQFAZFJXFBB-LLVKDONJSA-N 1 0 250.371 2.301 10 0 CEAERO CCCC1CCC([NH2+][C@H](C)C(=O)NC(=O)NCC)CC1 ZINC000049545394 519899466 /nfs/dbraw/zinc/89/94/66/519899466.db2.gz OXUSRFWBKLKMED-PNESKVBLSA-N 1 0 283.416 2.169 10 0 CEAERO CCCC1CCN([C@@H](c2cnn(C)c2)[C@@H](C)[NH3+])CC1 ZINC000050892924 519903600 /nfs/dbraw/zinc/90/36/00/519903600.db2.gz GLYNIGYNFLMTLH-IUODEOHRSA-N 1 0 264.417 2.321 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N1CCn2c(C)ccc2[C@@H]1C ZINC000061293963 519904667 /nfs/dbraw/zinc/90/46/67/519904667.db2.gz FVRLXVPRXXMKEA-LBPRGKRZSA-N 1 0 263.385 2.088 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000061292137 519906176 /nfs/dbraw/zinc/90/61/76/519906176.db2.gz NSINYRKICHOEGV-LLVKDONJSA-N 1 0 294.395 2.269 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1sccc1C(=O)OCC ZINC000061298786 519908257 /nfs/dbraw/zinc/90/82/57/519908257.db2.gz JQLLZOVXAXVIMO-UHFFFAOYSA-N 1 0 284.381 2.251 10 0 CEAERO CC[NH2+]CCC(=O)N(C)Cc1ccc(Cl)cc1 ZINC000061294650 519915375 /nfs/dbraw/zinc/91/53/75/519915375.db2.gz PWMKEPNCYRDMIL-UHFFFAOYSA-N 1 0 254.761 2.298 10 0 CEAERO CC[NH2+]CCC(=O)Nc1ccc(NC(C)=O)c(Cl)c1 ZINC000061291295 519918180 /nfs/dbraw/zinc/91/81/80/519918180.db2.gz NNOYVRXICWOZEG-UHFFFAOYSA-N 1 0 283.759 2.237 10 0 CEAERO CCC[NH2+]C[C@@H](C)CN1CCN(c2ccccc2)CC1 ZINC000052417296 519919953 /nfs/dbraw/zinc/91/99/53/519919953.db2.gz IQTXXCONFLZZCU-MRXNPFEDSA-N 1 0 275.440 2.444 10 0 CEAERO CCC[NH2+]C[C@@H](C)COc1ccc(S(C)(=O)=O)cc1 ZINC000052702042 519920393 /nfs/dbraw/zinc/92/03/93/519920393.db2.gz ARSMGGVGHJFVBO-GFCCVEGCSA-N 1 0 285.409 2.105 10 0 CEAERO CCC[NH2+]C[C@@H]1CC[C@H](COCc2ccco2)O1 ZINC000052601992 519926273 /nfs/dbraw/zinc/92/62/73/519926273.db2.gz UTSRWSVTFWAPEV-GXTWGEPZSA-N 1 0 253.342 2.343 10 0 CEAERO CC[NH2+]CCc1nnc(-c2ccc(OC(F)F)cc2)o1 ZINC000050619717 519929324 /nfs/dbraw/zinc/92/93/24/519929324.db2.gz WBFDMOPSKKPPNC-UHFFFAOYSA-N 1 0 283.278 2.490 10 0 CEAERO CCN(C(=O)Cc1cccc(C)c1)[C@H]1CCC[NH2+]C1 ZINC000052127670 519931528 /nfs/dbraw/zinc/93/15/28/519931528.db2.gz CAGIZBACQKQIKL-HNNXBMFYSA-N 1 0 260.381 2.138 10 0 CEAERO CCC[NH2+]C[C@H]1OCCN(C)[C@@H]1c1ccccc1C ZINC000070286089 519939894 /nfs/dbraw/zinc/93/98/94/519939894.db2.gz OFQQJENZYXAIGK-HZPDHXFCSA-N 1 0 262.397 2.366 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccc(C)c(OC)c1C ZINC000061230588 519940554 /nfs/dbraw/zinc/94/05/54/519940554.db2.gz NAROUDXBAAJKBY-LLVKDONJSA-N 1 0 264.369 2.496 10 0 CEAERO CC[NH2+]C[C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000061220300 519945098 /nfs/dbraw/zinc/94/50/98/519945098.db2.gz DFNCEEGFNJADGR-SNVBAGLBSA-N 1 0 261.325 2.458 10 0 CEAERO CC[NH2+]C[C@@H](Cc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000052950533 519946351 /nfs/dbraw/zinc/94/63/51/519946351.db2.gz LOUCUJFTDPQMGA-HZPDHXFCSA-N 1 0 295.448 2.198 10 0 CEAERO CC[NH2+]C[C@@H](Cc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000052950515 519946468 /nfs/dbraw/zinc/94/64/68/519946468.db2.gz KUXWHXJFWAEXEW-HZPDHXFCSA-N 1 0 295.448 2.198 10 0 CEAERO CCC[NH2+]Cc1ccccc1CN1CCO[C@H](C)C1 ZINC000052382732 519957420 /nfs/dbraw/zinc/95/74/20/519957420.db2.gz DBEKCBOZSFNUHZ-CQSZACIVSA-N 1 0 262.397 2.407 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccc(C(=O)NC(C)C)cc1 ZINC000061234839 519966164 /nfs/dbraw/zinc/96/61/64/519966164.db2.gz HSOVHPNXHRUXRG-LBPRGKRZSA-N 1 0 291.395 2.009 10 0 CEAERO CC[NH2+]C[C@H](CCOC)Cc1ccccc1OC ZINC000052980267 519971373 /nfs/dbraw/zinc/97/13/73/519971373.db2.gz XCCIZHBYQHPPST-CYBMUJFWSA-N 1 0 251.370 2.500 10 0 CEAERO CC[NH2+]C[C@H](CC)Oc1c(OC)cccc1OC ZINC000052650113 519971589 /nfs/dbraw/zinc/97/15/89/519971589.db2.gz SIDIAABTHXVMNN-NSHDSACASA-N 1 0 253.342 2.471 10 0 CEAERO CC[NH2+]C[C@H](C)c1nc(-c2ccccc2OC)no1 ZINC000061220292 519971769 /nfs/dbraw/zinc/97/17/69/519971769.db2.gz TUOBGHILGFBNQR-JTQLQIEISA-N 1 0 261.325 2.458 10 0 CEAERO CC[NH2+]C[C@H]1CC[C@@H](COc2ccccc2F)O1 ZINC000052663899 519979555 /nfs/dbraw/zinc/97/95/55/519979555.db2.gz BRBKSRARIKVPSK-NEPJUHHUSA-N 1 0 253.317 2.362 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccc(F)cc1O[C@@H](C)C(N)=O ZINC000062747396 519989413 /nfs/dbraw/zinc/98/94/13/519989413.db2.gz JHUVMBXDOPDTIT-UWVGGRQHSA-N 1 0 268.332 2.139 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccc(C)cc1OC[C@H](O)COC ZINC000069054008 519989735 /nfs/dbraw/zinc/98/97/35/519989735.db2.gz FJZNVPQKJHGOCF-UONOGXRCSA-N 1 0 281.396 2.442 10 0 CEAERO CC[NH2+]Cc1cc(OC)ccc1O[C@H](C)C(=O)OCC ZINC000049954668 519993298 /nfs/dbraw/zinc/99/32/98/519993298.db2.gz BIDZTGHTOGQCSG-LLVKDONJSA-N 1 0 281.352 2.135 10 0 CEAERO CCC[NH2+][C@@H](CCO[C@H]1CCCc2ccccc21)C(N)=O ZINC000062544460 520004555 /nfs/dbraw/zinc/00/45/55/520004555.db2.gz IAJCSFVKZOORKX-HOTGVXAUSA-N 1 0 290.407 2.324 10 0 CEAERO CC[NH2+]Cc1ccoc1CN1CCO[C@@H]2CCC[C@@H]21 ZINC000052540170 520011108 /nfs/dbraw/zinc/01/11/08/520011108.db2.gz GJXOIMIKOUTNGH-UONOGXRCSA-N 1 0 264.369 2.142 10 0 CEAERO CC[NH2+]Cc1cnc(N(CC)[C@@H](C)COC)s1 ZINC000054906491 520015770 /nfs/dbraw/zinc/01/57/70/520015770.db2.gz XYFWNFBBDYPJKU-JTQLQIEISA-N 1 0 257.403 2.114 10 0 CEAERO CCC[NH2+][C@@H](c1ccc2c(c1)CC(=O)N2C)[C@@H]1CCOC1 ZINC000048625721 520017526 /nfs/dbraw/zinc/01/75/26/520017526.db2.gz RGAWCFGIFCQLTK-DYVFJYSZSA-N 1 0 288.391 2.283 10 0 CEAERO CC(C)n1ccnc(Oc2cccc(F)c2C[NH3+])c1=O ZINC000061770680 520022852 /nfs/dbraw/zinc/02/28/52/520022852.db2.gz XNEBHGZOQHXDLN-UHFFFAOYSA-N 1 0 277.299 2.214 10 0 CEAERO CC[NH2+]Cc1nnnn1-c1ccccc1-c1ccccc1 ZINC000054744758 520025647 /nfs/dbraw/zinc/02/56/47/520025647.db2.gz MTSRKZQGBXVKOV-UHFFFAOYSA-N 1 0 279.347 2.439 10 0 CEAERO CC[NH2+]Cc1nnnn1-c1c(Cl)ccc(C)c1Cl ZINC000054744394 520025861 /nfs/dbraw/zinc/02/58/61/520025861.db2.gz HAUBVZPAVLJDNF-UHFFFAOYSA-N 1 0 286.166 2.387 10 0 CEAERO CCC[NH2+][C@@H]1CCc2c1cccc2OC[C@H](C)C(N)=O 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ZINC000052978285 520065579 /nfs/dbraw/zinc/06/55/79/520065579.db2.gz GOVFBGXLCKIIAB-AWEZNQCLSA-N 1 0 251.370 2.500 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N[C@H]1CCc2ccccc2C1 ZINC000061274666 520066480 /nfs/dbraw/zinc/06/64/80/520066480.db2.gz SWGDFBARXRODMX-WFASDCNBSA-N 1 0 260.381 2.048 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1cccc(COC)c1 ZINC000061270169 520070613 /nfs/dbraw/zinc/07/06/13/520070613.db2.gz DGJKHXSDZAAMFM-NSHDSACASA-N 1 0 250.342 2.160 10 0 CEAERO CCOCCn1nc(C)c(C[NH2+]C(C)(C)C)c1C ZINC000054717509 520072406 /nfs/dbraw/zinc/07/24/06/520072406.db2.gz FTXHRWPJDKSNEC-UHFFFAOYSA-N 1 0 253.390 2.425 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(F)cc1O[C@@H](C)C(=O)N(C)C ZINC000062747002 520075986 /nfs/dbraw/zinc/07/59/86/520075986.db2.gz SGNDISJUHYBQAR-QWRGUYRKSA-N 1 0 282.359 2.352 10 0 CEAERO CC[NH2+][C@@H](C)c1cccc(NC(=O)c2ccnn2C)c1 ZINC000061665365 520078295 /nfs/dbraw/zinc/07/82/95/520078295.db2.gz AGLSBXYKQZRMTP-NSHDSACASA-N 1 0 272.352 2.343 10 0 CEAERO CCC[NH2+][C@H](CCOc1ccc(CCC)cc1)C(N)=O ZINC000062596148 520078487 /nfs/dbraw/zinc/07/84/87/520078487.db2.gz BJRGYSLVKRUEEN-OAHLLOKOSA-N 1 0 278.396 2.262 10 0 CEAERO CC[NH2+][C@@H](C)c1cnc(N2CCSCC2)s1 ZINC000054901838 520079694 /nfs/dbraw/zinc/07/96/94/520079694.db2.gz SPIYBUCPGWTJSF-VIFPVBQESA-N 1 0 257.428 2.367 10 0 CEAERO CCC[NH2+][C@H](Cn1c2ccccc2oc1=O)C1CC1 ZINC000069077198 520088328 /nfs/dbraw/zinc/08/83/28/520088328.db2.gz HPFVNOKFCFODSF-GFCCVEGCSA-N 1 0 260.337 2.373 10 0 CEAERO CCN[C@@H](CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)OCC ZINC000062451396 520089075 /nfs/dbraw/zinc/08/90/75/520089075.db2.gz IAWDLGGUVKJUKT-XHSDSOJGSA-N 1 0 296.455 2.430 10 0 CEAERO CCCCCCOC[C@@]([NH2+]C(C)C)(C(N)=O)C1CC1 ZINC000069195236 520099946 /nfs/dbraw/zinc/09/99/46/520099946.db2.gz SHTCQWNBBRDMGP-HNNXBMFYSA-N 1 0 270.417 2.215 10 0 CEAERO CC[NH2+][C@@H](CO[C@H](C)COC)c1ccc2c(c1)OCO2 ZINC000070207077 520099899 /nfs/dbraw/zinc/09/98/99/520099899.db2.gz LIJOLTXFGOOAAP-YPMHNXCESA-N 1 0 281.352 2.117 10 0 CEAERO CC[NH2+][C@@H](Cc1cnn(C)c1)c1ccccc1OC ZINC000050542251 520105675 /nfs/dbraw/zinc/10/56/75/520105675.db2.gz NBANKMOESVXMAG-AWEZNQCLSA-N 1 0 259.353 2.322 10 0 CEAERO CC[NH2+][C@@H](Cc1ccccc1OC)c1nccn1C ZINC000069473600 520106504 /nfs/dbraw/zinc/10/65/04/520106504.db2.gz QAJHNCAXIHXAET-ZDUSSCGKSA-N 1 0 259.353 2.322 10 0 CEAERO CC[NH2+][C@@H](c1ccc(OC)c(Cl)c1)[C@H]1COCCO1 ZINC000055299866 520109935 /nfs/dbraw/zinc/10/99/35/520109935.db2.gz LZTFCGIDLGTXPF-KGLIPLIRSA-N 1 0 285.771 2.415 10 0 CEAERO CCCN[C@](C[N@H+](C)CC1CC1)(C(=O)OCC)C1CC1 ZINC000069100715 520117886 /nfs/dbraw/zinc/11/78/86/520117886.db2.gz SSZFNHFUHSEQTH-INIZCTEOSA-N 1 0 282.428 2.040 10 0 CEAERO CC[NH2+][C@@H]1CC[C@H](c2ccccc2)C[C@@H]1S(C)(=O)=O ZINC000054930394 520122893 /nfs/dbraw/zinc/12/28/93/520122893.db2.gz MOLZUTWHLKZIJX-ZNMIVQPWSA-N 1 0 281.421 2.345 10 0 CEAERO CCC[NH2+][C@](COc1cc(C)cc(C)c1)(C(N)=O)C1CC1 ZINC000069197365 520123398 /nfs/dbraw/zinc/12/33/98/520123398.db2.gz YOHYWIZXULXSJA-KRWDZBQOSA-N 1 0 290.407 2.316 10 0 CEAERO CC[NH2+][C@@H]1COc2cc(O[C@H]3CCCC[C@@H]3O)ccc21 ZINC000062804763 520124655 /nfs/dbraw/zinc/12/46/55/520124655.db2.gz QRGGFNPELRUORE-ILXRZTDVSA-N 1 0 277.364 2.412 10 0 CEAERO CCN[C@@](C[N@H+](C)CC(C)(C)C)(C(=O)OCC)C1CC1 ZINC000069132529 520148871 /nfs/dbraw/zinc/14/88/71/520148871.db2.gz MVCZAAIAXLBBJZ-MRXNPFEDSA-N 1 0 284.444 2.286 10 0 CEAERO CCN[C@@](C[N@H+](C)[C@@H]1CCCC[C@@H]1C)(C(=O)OC)C1CC1 ZINC000069132449 520150538 /nfs/dbraw/zinc/15/05/38/520150538.db2.gz DVBIGHPJIOQKLU-YSVLISHTSA-N 1 0 296.455 2.428 10 0 CEAERO CCN[C@@](C[NH+]1CCC(CC)(CC)CC1)(C(N)=O)C1CC1 ZINC000069232559 520151415 /nfs/dbraw/zinc/15/14/15/520151415.db2.gz LXESMFVREFJPAX-QGZVFWFLSA-N 1 0 295.471 2.132 10 0 CEAERO CCCNc1ccc(CN2CC[NH+](CC)CC2)cn1 ZINC000050792123 520157373 /nfs/dbraw/zinc/15/73/73/520157373.db2.gz SGHSJXNZDZLHFV-UHFFFAOYSA-N 1 0 262.401 2.041 10 0 CEAERO CCCNc1ccc(Cl)c(C(=O)NCCC[NH+](C)C)n1 ZINC000050743326 520162327 /nfs/dbraw/zinc/16/23/27/520162327.db2.gz LGSNUXQOWCIGDL-UHFFFAOYSA-N 1 0 298.818 2.238 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)NCc1ccc(F)c(Cl)c1 ZINC000061274790 520166127 /nfs/dbraw/zinc/16/61/27/520166127.db2.gz BSAIXXNJOICRBF-SECBINFHSA-N 1 0 272.751 2.483 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1cc(-c2nnco2)ccc1C ZINC000061270708 520168131 /nfs/dbraw/zinc/16/81/31/520168131.db2.gz PUQKJYJEJCVVMD-LLVKDONJSA-N 1 0 288.351 2.372 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000061270925 520169450 /nfs/dbraw/zinc/16/94/50/520169450.db2.gz UNTFMOIBMVJAFY-LLVKDONJSA-N 1 0 272.352 2.403 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1cccc(-c2nnco2)c1 ZINC000061273705 520170428 /nfs/dbraw/zinc/17/04/28/520170428.db2.gz HNOKJPCPZGKPOG-SNVBAGLBSA-N 1 0 274.324 2.063 10 0 CEAERO CCCNc1cccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)n1 ZINC000053251018 520172202 /nfs/dbraw/zinc/17/22/02/520172202.db2.gz KTVRTNQJBFUFGV-CYBMUJFWSA-N 1 0 290.411 2.070 10 0 CEAERO CCCCC[N@H+](C[C@H](O)Cn1nc(C)c(N)c1C)C(C)C ZINC000069368695 520173889 /nfs/dbraw/zinc/17/38/89/520173889.db2.gz NKDHOLUXIXXBMT-HNNXBMFYSA-N 1 0 296.459 2.344 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(C)cc1OC[C@@H](O)COC ZINC000069054007 520176753 /nfs/dbraw/zinc/17/67/53/520176753.db2.gz YLTVIGFKSGGMED-OLZOCXBDSA-N 1 0 267.369 2.052 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(F)cc1O[C@@H](C)C(=O)OC ZINC000062746745 520177605 /nfs/dbraw/zinc/17/76/05/520177605.db2.gz LBAUHVRFKODXRF-ZJUUUORDSA-N 1 0 269.316 2.437 10 0 CEAERO CC[NH2+][C@H](C)c1cnn([C@@H]2CCCC[C@@H]2O)c1C ZINC000054600082 520181982 /nfs/dbraw/zinc/18/19/82/520181982.db2.gz LISHDHPLCBFZLD-HONMWMINSA-N 1 0 251.374 2.338 10 0 CEAERO CC[NH2+][C@H](CC)COc1c(OC)cccc1OC ZINC000050180761 520182818 /nfs/dbraw/zinc/18/28/18/520182818.db2.gz SOKVIKRIXDIPTQ-LLVKDONJSA-N 1 0 253.342 2.471 10 0 CEAERO CC[NH2+][C@H](CC)c1cccc(S(=O)(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000052295455 520185083 /nfs/dbraw/zinc/18/50/83/520185083.db2.gz KCNYHGLHLCUFFB-NILFDRSVSA-N 1 0 296.436 2.434 10 0 CEAERO CCCNc1ncccc1CN1CCC([NH+](C)C)CC1 ZINC000052720848 520196367 /nfs/dbraw/zinc/19/63/67/520196367.db2.gz YLAGQAOOKPOEQY-UHFFFAOYSA-N 1 0 276.428 2.430 10 0 CEAERO CC[NH2+][C@H](CCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000061624466 520196344 /nfs/dbraw/zinc/19/63/44/520196344.db2.gz RJKDXUWGOBOVQE-HUUCEWRRSA-N 1 0 281.421 2.032 10 0 CEAERO CC[NH2+][C@H](Cc1nc(C)cs1)c1nccn1C ZINC000069473810 520205847 /nfs/dbraw/zinc/20/58/47/520205847.db2.gz NFXSETMGCFZBOY-SNVBAGLBSA-N 1 0 250.371 2.078 10 0 CEAERO CC[NH2+][C@H](c1ccc2[nH]c(=O)[nH]c2c1)[C@H]1CCCCO1 ZINC000050962048 520209547 /nfs/dbraw/zinc/20/95/47/520209547.db2.gz XMPGRSYTIQOFJD-ZIAGYGMSSA-N 1 0 275.352 2.076 10 0 CEAERO CC[NH2+][C@H](c1nccn1C)c1ccc2c(c1)CCO2 ZINC000050892637 520212039 /nfs/dbraw/zinc/21/20/39/520212039.db2.gz MIWIWZRZSGCKSZ-AWEZNQCLSA-N 1 0 257.337 2.054 10 0 CEAERO CC[NH2+][C@H]1CCc2c1cccc2OCC(=O)N(C)CC ZINC000062799745 520219174 /nfs/dbraw/zinc/21/91/74/520219174.db2.gz LRVYIDLSCVRVFQ-AWEZNQCLSA-N 1 0 276.380 2.141 10 0 CEAERO CC[NH2+][C@](C)(CCC[NH+]1Cc2ccccc2C1)C(=O)[O-] ZINC000050912196 520228221 /nfs/dbraw/zinc/22/82/21/520228221.db2.gz SSPGXVPILLEALW-MRXNPFEDSA-N 1 0 276.380 2.235 10 0 CEAERO CC[NH2+][C@](C)(CO)CCCN1CCN(C)c2ccccc21 ZINC000070335526 520230761 /nfs/dbraw/zinc/23/07/61/520230761.db2.gz ATPOXCYCXVURBK-KRWDZBQOSA-N 1 0 291.439 2.084 10 0 CEAERO CCN[C@](C)(C[C@@H](C)[N@H+](CC1CC1)C(C)C)C(=O)OC ZINC000068637894 520236583 /nfs/dbraw/zinc/23/65/83/520236583.db2.gz QNJKTSHRAUMNMS-CZUORRHYSA-N 1 0 284.444 2.427 10 0 CEAERO CC[NH2+][C@](C)(C[C@@H](C)OCCCc1ccccc1)C(N)=O ZINC000068658028 520236715 /nfs/dbraw/zinc/23/67/15/520236715.db2.gz RSSBUZLXSNVKGN-RHSMWYFYSA-N 1 0 292.423 2.268 10 0 CEAERO CCN[C@](C[N@H+](C)C(C)(C)CC)(C(=O)OCC)C1CC1 ZINC000069446751 520241991 /nfs/dbraw/zinc/24/19/91/520241991.db2.gz UTZDRXJKUYVFOX-INIZCTEOSA-N 1 0 284.444 2.428 10 0 CEAERO CCCCCOCCC[C@@](C)([NH2+]CCC)C(N)=O ZINC000045544284 520246615 /nfs/dbraw/zinc/24/66/15/520246615.db2.gz GEDACGFAASHLRR-CQSZACIVSA-N 1 0 258.406 2.217 10 0 CEAERO CCCO[C@@H]1CCCN(C(=O)C2CCC(C[NH3+])CC2)C1 ZINC000055162074 520263999 /nfs/dbraw/zinc/26/39/99/520263999.db2.gz ZXCQGWZRSYXAIE-YMAMQOFZSA-N 1 0 282.428 2.169 10 0 CEAERO CCCO[C@@H]1CCCN(C(=O)[C@H](C[NH3+])c2ccccc2)C1 ZINC000061612558 520268033 /nfs/dbraw/zinc/26/80/33/520268033.db2.gz YHCWZVYMMIXJDI-HZPDHXFCSA-N 1 0 290.407 2.147 10 0 CEAERO CCNc1ccc(Cl)cc1C(=O)N[C@H]1CC[N@H+](C)C1 ZINC000050786421 520315741 /nfs/dbraw/zinc/31/57/41/520315741.db2.gz LSFCVPAJPQVCTA-NSHDSACASA-N 1 0 281.787 2.206 10 0 CEAERO CCN(CC(=O)c1ccccc1C)C1CC[NH2+]CC1 ZINC000050157766 520387426 /nfs/dbraw/zinc/38/74/26/520387426.db2.gz JQBQFRRYCNTOKQ-UHFFFAOYSA-N 1 0 260.381 2.252 10 0 CEAERO CCN(CC(F)(F)F)C(=O)[C@H]1C[C@H]([NH3+])CC[C@@H]1C ZINC000055137062 520419489 /nfs/dbraw/zinc/41/94/89/520419489.db2.gz KGJVHVPBXCOVNB-AEJSXWLSSA-N 1 0 266.307 2.161 10 0 CEAERO CCCOc1ccc([C@@H]2[C@H]([NH3+])CCC(=O)N2CC)cc1 ZINC000062211357 520423887 /nfs/dbraw/zinc/42/38/87/520423887.db2.gz VJDFCILISQCCCS-GDBMZVCRSA-N 1 0 276.380 2.486 10 0 CEAERO CCCOc1ccc([C@@H]2[C@@H]([NH3+])CCCC(=O)N2C)cc1 ZINC000070292361 520424835 /nfs/dbraw/zinc/42/48/35/520424835.db2.gz IFVZWQWPEQAFCI-GOEBONIOSA-N 1 0 276.380 2.486 10 0 CEAERO CCCOc1cccc([C@H]2[C@@H]([NH3+])CCN2CCOC)c1 ZINC000070300426 520471832 /nfs/dbraw/zinc/47/18/32/520471832.db2.gz YLMVOCCDLYDZGF-HOTGVXAUSA-N 1 0 278.396 2.196 10 0 CEAERO CC1(C)CN(Cc2cc(-c3ccco3)on2)CC[C@@H]1[NH3+] ZINC000261852328 520475180 /nfs/dbraw/zinc/47/51/80/520475180.db2.gz WWWUQWMWTSPIGR-AWEZNQCLSA-N 1 0 275.352 2.494 10 0 CEAERO CC1(C)CN(c2ccc(Cl)cc2C(N)=[NH2+])CCO1 ZINC000052860066 520494233 /nfs/dbraw/zinc/49/42/33/520494233.db2.gz DGRVQUHRFRURLE-UHFFFAOYSA-N 1 0 267.760 2.239 10 0 CEAERO CCCC[N@H+](CC[C@H]([NH2+]CC)C(=O)[O-])[C@@H](C)CC ZINC000062527609 520539529 /nfs/dbraw/zinc/53/95/29/520539529.db2.gz XPTTVLHKERIOSH-STQMWFEESA-N 1 0 258.406 2.340 10 0 CEAERO CCCS(=O)(=O)c1ccccc1N[C@@H]1CCC[C@@H]1[NH3+] ZINC000063177851 520544869 /nfs/dbraw/zinc/54/48/69/520544869.db2.gz GCNDSDIPWRULOW-NWDGAFQWSA-N 1 0 282.409 2.162 10 0 CEAERO CCCS(=O)(=O)c1ccccc1N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000053711963 520545005 /nfs/dbraw/zinc/54/50/05/520545005.db2.gz ANPGBYNZPNHUKU-BETUJISGSA-N 1 0 296.436 2.057 10 0 CEAERO CCCS(=O)(=O)c1ccccc1OC[C@@H]1CCCC[NH2+]1 ZINC000051883417 520545830 /nfs/dbraw/zinc/54/58/30/520545830.db2.gz GLUQNASRPRBUDU-ZDUSSCGKSA-N 1 0 297.420 2.391 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)Nc1cc(F)cc(F)c1F ZINC000061118054 520705897 /nfs/dbraw/zinc/70/58/97/520705897.db2.gz YDCPWWUWIKBASM-ZETCQYMHSA-N 1 0 260.259 2.417 10 0 CEAERO CCOc1cc(C[NH2+]C)ccc1OCCC(=O)NC(C)C ZINC000054047762 520708672 /nfs/dbraw/zinc/70/86/72/520708672.db2.gz OYMICYBJVKVEPZ-UHFFFAOYSA-N 1 0 294.395 2.098 10 0 CEAERO CC[NH+](CC)CCn1cc(NC(=O)c2ccccc2)cn1 ZINC000070286544 520714167 /nfs/dbraw/zinc/71/41/67/520714167.db2.gz GJQAQQSLCNIOTN-UHFFFAOYSA-N 1 0 286.379 2.477 10 0 CEAERO CCCCOCCNC(=O)[C@@H]1CCC[C@@H](CC[NH3+])C1 ZINC000055162046 520777253 /nfs/dbraw/zinc/77/72/53/520777253.db2.gz OYMGTWSBYSCDRB-UONOGXRCSA-N 1 0 270.417 2.075 10 0 CEAERO CCC[C@@H]1CN(CCn2ccnc2C)[C@H](C(C)C)C[NH2+]1 ZINC000068700698 520838553 /nfs/dbraw/zinc/83/85/53/520838553.db2.gz VLNLJEFRFIANQM-CVEARBPZSA-N 1 0 278.444 2.290 10 0 CEAERO CC[NH+](CC)[C@@H]1CCN(Cc2ccc(NC)nc2)C1 ZINC000062969471 520846606 /nfs/dbraw/zinc/84/66/06/520846606.db2.gz SAXTWNNWMKPODJ-CQSZACIVSA-N 1 0 262.401 2.039 10 0 CEAERO CCOC(=O)C[C@@]1([NH+]2CCOCC2)C[C@H](C)CC[C@@H]1C ZINC000068633916 520861491 /nfs/dbraw/zinc/86/14/91/520861491.db2.gz MDAHJRPTIWXQPU-YCPHGPKFSA-N 1 0 283.412 2.467 10 0 CEAERO CC1CCC(CNC(=O)[C@@H]2[NH2+]CCC[C@@H]2C)CC1 ZINC000063147061 520922390 /nfs/dbraw/zinc/92/23/90/520922390.db2.gz WGUCXVFMTXISBL-GNRIBBGQSA-N 1 0 252.402 2.317 10 0 CEAERO CC1CCC(CO)([NH2+]Cc2ccc3c(c2)OCCO3)CC1 ZINC000053113649 520925113 /nfs/dbraw/zinc/92/51/13/520925113.db2.gz FAFYDMFSOLTBJL-UHFFFAOYSA-N 1 0 291.391 2.489 10 0 CEAERO CCN(CC)c1nc(C)c(CC[NH2+]C2CC2)c(C)n1 ZINC000054853886 520925589 /nfs/dbraw/zinc/92/55/89/520925589.db2.gz KQCCVRNGLCRANX-UHFFFAOYSA-N 1 0 262.401 2.234 10 0 CEAERO CCC[C@@]1(C(=O)NCCc2ccc(O)cc2)CCC[NH2+]C1 ZINC000062858999 520942866 /nfs/dbraw/zinc/94/28/66/520942866.db2.gz TWKQLCPSOUWSIU-QGZVFWFLSA-N 1 0 290.407 2.221 10 0 CEAERO CCCC[C@@H](C)NS(=O)(=O)c1cccc2c1CC[NH2+]C2 ZINC000050889779 521010017 /nfs/dbraw/zinc/01/00/17/521010017.db2.gz PJPSXBOKBZJXBZ-GFCCVEGCSA-N 1 0 296.436 2.189 10 0 CEAERO CCOc1ccc(N)cc1CN1CC[NH+](CC(C)C)CC1 ZINC000055076902 521030292 /nfs/dbraw/zinc/03/02/92/521030292.db2.gz BDBLVLOWWGHTLC-UHFFFAOYSA-N 1 0 291.439 2.441 10 0 CEAERO CCOC(=O)[C@@H](C)Oc1ccc(C[C@H]([NH3+])CC)cc1 ZINC000049955374 521031376 /nfs/dbraw/zinc/03/13/76/521031376.db2.gz FQXIEUBTJRADPO-DGCLKSJQSA-N 1 0 265.353 2.297 10 0 CEAERO CCN(CC[NH2+]C[C@@H]1CCCO1)Cc1cccs1 ZINC000053438679 521079409 /nfs/dbraw/zinc/07/94/09/521079409.db2.gz CVGISZPKJNBRBO-ZDUSSCGKSA-N 1 0 268.426 2.339 10 0 CEAERO CCC[C@H](CC)NS(=O)(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050406171 521083323 /nfs/dbraw/zinc/08/33/23/521083323.db2.gz DECDBPNTVQBMDZ-QWHCGFSZSA-N 1 0 276.446 2.017 10 0 CEAERO CCC[C@H](C[NH2+]CC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000052952185 521101440 /nfs/dbraw/zinc/10/14/40/521101440.db2.gz KYADSQZXWOKTPR-CHWSQXEVSA-N 1 0 261.431 2.083 10 0 CEAERO CCCC[C@H](C)[NH2+][C@@H]1CC(=O)N([C@@H](C)CC)C1=O ZINC000050888000 521152863 /nfs/dbraw/zinc/15/28/63/521152863.db2.gz FKFPNHRDNAEJKG-SDDRHHMPSA-N 1 0 254.374 2.081 10 0 CEAERO CCOC(=O)[C@@](C[N@H+](C)CC1CCC1)(NC1CC1)C1CC1 ZINC000069231917 521164384 /nfs/dbraw/zinc/16/43/84/521164384.db2.gz BJVJNWHHYXAFAN-KRWDZBQOSA-N 1 0 294.439 2.182 10 0 CEAERO CCOc1ccc(OCCN2[C@H](C)C[NH2+]C[C@H]2C)cc1 ZINC000069134312 521174391 /nfs/dbraw/zinc/17/43/91/521174391.db2.gz VIPOMQPZPUBDCI-ZIAGYGMSSA-N 1 0 278.396 2.146 10 0 CEAERO CCOc1ccc(OCC[C@@H](C[NH3+])OCC)cc1 ZINC000062741537 521176335 /nfs/dbraw/zinc/17/63/35/521176335.db2.gz CBSKJQVHFUMCST-AWEZNQCLSA-N 1 0 253.342 2.218 10 0 CEAERO CCCC[C@H](CC)[NH2+]C1CCN(S(=O)(=O)CC)CC1 ZINC000069371444 521180146 /nfs/dbraw/zinc/18/01/46/521180146.db2.gz OXABAEBPFFPSIF-ZDUSSCGKSA-N 1 0 290.473 2.359 10 0 CEAERO CCOC(=O)[C@H](C)C[NH2+]Cc1ccc(F)cc1F ZINC000051017237 521188653 /nfs/dbraw/zinc/18/86/53/521188653.db2.gz GAFZCZSLOXOAAL-SECBINFHSA-N 1 0 257.280 2.254 10 0 CEAERO CCOC(=O)[C@H](C)Oc1ccc([C@@H](C)[NH2+]C)cc1 ZINC000049954782 521217176 /nfs/dbraw/zinc/21/71/76/521217176.db2.gz JJWJINKCYICPPL-MNOVXSKESA-N 1 0 251.326 2.297 10 0 CEAERO CCCC[C@](CC)(C[NH2+]C)[C@@H]1CCS(=O)(=O)C1 ZINC000054657751 521256111 /nfs/dbraw/zinc/25/61/11/521256111.db2.gz NJUUHNVXBBOFDJ-CHWSQXEVSA-N 1 0 261.431 2.227 10 0 CEAERO CC[N@H+](C[C@](NC)(C(=O)OC)C1CC1)C1CCCCC1 ZINC000069091384 521276442 /nfs/dbraw/zinc/27/64/42/521276442.db2.gz IPRIGRUEGWPTMX-MRXNPFEDSA-N 1 0 282.428 2.182 10 0 CEAERO CCC[C@]1(C(=O)N(C)Cc2cccc(O)c2)CC[NH2+]C1 ZINC000062896319 521297384 /nfs/dbraw/zinc/29/73/84/521297384.db2.gz YXEHJYATGQXSPL-INIZCTEOSA-N 1 0 276.380 2.130 10 0 CEAERO CCOC(=O)[C@](C[N@H+](CC1CC1)C(C)C)(NC)C1CC1 ZINC000069183623 521339029 /nfs/dbraw/zinc/33/90/29/521339029.db2.gz IYXWWTOTFAUUES-MRXNPFEDSA-N 1 0 282.428 2.038 10 0 CEAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@@H](CC(C)C)CN(C)C ZINC000049555881 521341628 /nfs/dbraw/zinc/34/16/28/521341628.db2.gz ULOHBVXYDJEJRW-KBPBESRZSA-N 1 0 285.476 2.246 10 0 CEAERO CCOc1cccc(C[NH2+]CC(C)C)c1OCC(=O)OC ZINC000062732744 521361943 /nfs/dbraw/zinc/36/19/43/521361943.db2.gz LPBLXTLCPDLNAM-UHFFFAOYSA-N 1 0 295.379 2.383 10 0 CEAERO CCCc1cc(N2Cc3ccccc3C[C@@H]2C[NH3+])ncn1 ZINC000053664339 521368558 /nfs/dbraw/zinc/36/85/58/521368558.db2.gz KWAZGNUTOWVCSX-MRXNPFEDSA-N 1 0 282.391 2.319 10 0 CEAERO CC[N@@H+](Cc1ccnc(C(N)=S)c1)CC(C)C ZINC000068751924 521411841 /nfs/dbraw/zinc/41/18/41/521411841.db2.gz FQMOJZURASPQSC-UHFFFAOYSA-N 1 0 251.399 2.194 10 0 CEAERO CC[N@H+](Cc1ccnc(C(N)=S)c1)C1CCCC1 ZINC000068751977 521412889 /nfs/dbraw/zinc/41/28/89/521412889.db2.gz RWCUUJRUCZCESL-UHFFFAOYSA-N 1 0 263.410 2.480 10 0 CEAERO CCCc1ccc([C@@](C)(O)C[NH2+]CCOC)cc1 ZINC000055033565 521416953 /nfs/dbraw/zinc/41/69/53/521416953.db2.gz CCTSBXAOMXNZGR-HNNXBMFYSA-N 1 0 251.370 2.083 10 0 CEAERO CCN(c1ccccc1C)S(=O)(=O)C[C@@H]1CCCC[NH2+]1 ZINC000049630740 521500493 /nfs/dbraw/zinc/50/04/93/521500493.db2.gz LQAXVKYABVJPAZ-AWEZNQCLSA-N 1 0 296.436 2.293 10 0 CEAERO CCCc1nc(N2CCO[C@H](CC)C2)sc1C[NH3+] ZINC000054997382 521534256 /nfs/dbraw/zinc/53/42/56/521534256.db2.gz XTAPUMVLHOILBQ-SNVBAGLBSA-N 1 0 269.414 2.170 10 0 CEAERO CCOc1ccccc1[C@@H](O)CN1CCC[C@@H]1C[NH+](C)C ZINC000061652620 521579459 /nfs/dbraw/zinc/57/94/59/521579459.db2.gz AHBLEQOYUWCUPP-ZBFHGGJFSA-N 1 0 292.423 2.145 10 0 CEAERO CCC[NH+](CCC)CC[C@H](NC(C)C)C(=O)OC ZINC000062442232 521646882 /nfs/dbraw/zinc/64/68/82/521646882.db2.gz FQMQIHGPSMYUIY-ZDUSSCGKSA-N 1 0 258.406 2.038 10 0 CEAERO CCCn1cc(NC(=O)CC[C@@H]2CCCC[NH2+]2)ccc1=O ZINC000050945691 521654831 /nfs/dbraw/zinc/65/48/31/521654831.db2.gz ZFGRAFZDUWGGRG-ZDUSSCGKSA-N 1 0 291.395 2.119 10 0 CEAERO CCCn1cc([C@H]([NH3+])Cc2csc(C)n2)cn1 ZINC000055294775 521655643 /nfs/dbraw/zinc/65/56/43/521655643.db2.gz OFJITGRUKWJOHH-GFCCVEGCSA-N 1 0 250.371 2.301 10 0 CEAERO CCCn1cccc1C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000063192776 521659042 /nfs/dbraw/zinc/65/90/42/521659042.db2.gz SQJBOEGWQTUGMH-CHWSQXEVSA-N 1 0 263.385 2.240 10 0 CEAERO CCCN(CC[NH+](C)C)c1nc2c(s1)[C@@H](O)CCC2 ZINC000054928007 521659105 /nfs/dbraw/zinc/65/91/05/521659105.db2.gz NVEFPICSIKKTDH-LBPRGKRZSA-N 1 0 283.441 2.291 10 0 CEAERO CCCN(CC[NH3+])C(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000050518206 521660097 /nfs/dbraw/zinc/66/00/97/521660097.db2.gz ZWVXXAXRGBWILZ-UHFFFAOYSA-N 1 0 288.313 2.445 10 0 CEAERO CCCN(CC[NH3+])C(=O)c1ccc2ncccc2c1 ZINC000061410415 521660219 /nfs/dbraw/zinc/66/02/19/521660219.db2.gz DLNYKWPDWGYOFK-UHFFFAOYSA-N 1 0 257.337 2.046 10 0 CEAERO CCC1(CC)CC[NH+](CC[C@@](C)(N)C(=O)OC)CC1 ZINC000062956383 521687423 /nfs/dbraw/zinc/68/74/23/521687423.db2.gz CYLIPYGAJKHCKI-CQSZACIVSA-N 1 0 270.417 2.169 10 0 CEAERO CCC1(CC)C[NH2+][C@H](C(C)C)CN1Cc1cnn(C)c1 ZINC000068704571 521690478 /nfs/dbraw/zinc/69/04/78/521690478.db2.gz YSZKABGQMIWYPX-HNNXBMFYSA-N 1 0 278.444 2.409 10 0 CEAERO CCC[N@H+](Cc1ccnc(C(N)=S)c1)C(C)C ZINC000068751906 521691123 /nfs/dbraw/zinc/69/11/23/521691123.db2.gz WAVHREIJZVPGAC-UHFFFAOYSA-N 1 0 251.399 2.336 10 0 CEAERO CCCN1C(=O)C[C@H]([NH3+])[C@H]1c1ccc(C)c(F)c1 ZINC000070293353 521699866 /nfs/dbraw/zinc/69/98/66/521699866.db2.gz PYAOLOBADWEMPL-GXTWGEPZSA-N 1 0 250.317 2.145 10 0 CEAERO CCNC(=O)COc1cc(C[NH2+]C(C)(C)C)ccc1OC ZINC000062732433 521738440 /nfs/dbraw/zinc/73/84/40/521738440.db2.gz UYMMGIYHNPDQRL-UHFFFAOYSA-N 1 0 294.395 2.098 10 0 CEAERO CCNC(=O)[C@H](C)Oc1ccc(C[NH2+]CC(C)C)cc1 ZINC000062728902 521745770 /nfs/dbraw/zinc/74/57/70/521745770.db2.gz UXOJATPXYQVWSK-ZDUSSCGKSA-N 1 0 278.396 2.336 10 0 CEAERO CN(C)CC[NH2+][C@H](CO)c1csc2ccccc12 ZINC000054465895 521792400 /nfs/dbraw/zinc/79/24/00/521792400.db2.gz SLABVVZXOIFGFM-CYBMUJFWSA-N 1 0 264.394 2.086 10 0 CEAERO COc1c(C)cnc(C[C@H]([NH3+])C[C@H]2CCCO2)c1C ZINC000053817766 521815080 /nfs/dbraw/zinc/81/50/80/521815080.db2.gz AKMBWXZUQDFRFA-CHWSQXEVSA-N 1 0 264.369 2.146 10 0 CEAERO CC[C@H](C)[C@@H](C)NC(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000051112894 521820361 /nfs/dbraw/zinc/82/03/61/521820361.db2.gz WSDCDJMVKLHXLW-JGVFFNPUSA-N 1 0 270.764 2.185 10 0 CEAERO C[NH+](C)C[C@@H]1CCCN1c1ccc(F)cc1C=O ZINC000061644962 521843991 /nfs/dbraw/zinc/84/39/91/521843991.db2.gz SWGGUSFXJNMBQI-ZDUSSCGKSA-N 1 0 250.317 2.169 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1CC(=O)c1ccc2c(c1)CCC2 ZINC000061645673 521866239 /nfs/dbraw/zinc/86/62/39/521866239.db2.gz VSWGSOHJFGNQIE-QGZVFWFLSA-N 1 0 286.419 2.384 10 0 CEAERO COCC[C@H]([NH3+])C(=O)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000052808814 521938981 /nfs/dbraw/zinc/93/89/81/521938981.db2.gz WVNVISGPSQVDOE-KBPBESRZSA-N 1 0 296.798 2.367 10 0 CEAERO C[NH2+]C(C)(C)C(=O)Nc1ccccc1Br ZINC000061300196 521945773 /nfs/dbraw/zinc/94/57/73/521945773.db2.gz HGJGARLQFXQDOZ-UHFFFAOYSA-N 1 0 271.158 2.386 10 0 CEAERO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2c1ccc(NC(C)=O)cc1 ZINC000054626994 521955342 /nfs/dbraw/zinc/95/53/42/521955342.db2.gz MFOYDSWREOEFJE-VHRNVKJDSA-N 1 0 273.380 2.364 10 0 CEAERO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2c1nc(C)c(C)s1 ZINC000054629682 521959286 /nfs/dbraw/zinc/95/92/86/521959286.db2.gz TZHBCCVNTQSRNV-YOGCLGLASA-N 1 0 251.399 2.479 10 0 CEAERO CCc1ccsc1C(=O)N1[C@@H](C)C[NH2+]C[C@@H]1C ZINC000069132652 521993415 /nfs/dbraw/zinc/99/34/15/521993415.db2.gz KRCVNDURCUFVEC-UWVGGRQHSA-N 1 0 252.383 2.133 10 0 CEAERO C[NH2+]CCCc1c(C)nc(CC(F)(F)F)nc1C ZINC000054837471 522000673 /nfs/dbraw/zinc/00/06/73/522000673.db2.gz KVBVTMTUXHCPIR-UHFFFAOYSA-N 1 0 261.291 2.350 10 0 CEAERO CC[C@@H](C)C[C@@H](C[NH2+]C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000052951407 522021826 /nfs/dbraw/zinc/02/18/26/522021826.db2.gz CTFCXDGGYZNJJN-MCIONIFRSA-N 1 0 275.458 2.472 10 0 CEAERO C[NH2+]CCc1nnc(-c2cccc(Br)c2)o1 ZINC000050619526 522023324 /nfs/dbraw/zinc/02/33/24/522023324.db2.gz NAMTXGVSDCTLJU-UHFFFAOYSA-N 1 0 282.141 2.261 10 0 CEAERO C[NH2+]CC[C@@H]1CCCCN1C(=O)CCOc1ccccc1 ZINC000070191989 522017042 /nfs/dbraw/zinc/01/70/42/522017042.db2.gz PIBPHHMPVWCSFJ-HNNXBMFYSA-N 1 0 290.407 2.446 10 0 CEAERO C[NH2+]CCc1noc(-c2cccc3ncccc32)n1 ZINC000061418893 522022757 /nfs/dbraw/zinc/02/27/57/522022757.db2.gz ZJRYCHUYDMZAKF-UHFFFAOYSA-N 1 0 254.293 2.047 10 0 CEAERO C[NH2+]CCc1nnc(-c2ccc(Cl)cc2F)o1 ZINC000050619515 522023173 /nfs/dbraw/zinc/02/31/73/522023173.db2.gz NJPAFTMZCVPQLE-UHFFFAOYSA-N 1 0 255.680 2.291 10 0 CEAERO C[NH2+]CCc1noc(-c2cc(Cl)ccc2F)n1 ZINC000051850703 522023674 /nfs/dbraw/zinc/02/36/74/522023674.db2.gz WMLYXOGEQINFJF-UHFFFAOYSA-N 1 0 255.680 2.291 10 0 CEAERO C[NH2+]C[C@@H](C)c1c(C)nc(-c2ccncc2)nc1C ZINC000054854665 522031945 /nfs/dbraw/zinc/03/19/45/522031945.db2.gz VAWNQXIGWUNXGN-SNVBAGLBSA-N 1 0 256.353 2.478 10 0 CEAERO C[NH2+]C[C@@H](C)c1c(C)nc(Cc2ccccn2)nc1C ZINC000054854655 522032303 /nfs/dbraw/zinc/03/23/03/522032303.db2.gz ROJKDSPDRZDQTQ-LLVKDONJSA-N 1 0 270.380 2.402 10 0 CEAERO C[NH2+]C[C@@](C)(O)c1ccc(F)c(Br)c1 ZINC000061689962 522063399 /nfs/dbraw/zinc/06/33/99/522063399.db2.gz AVKKRGBQMNCESJ-SNVBAGLBSA-N 1 0 262.122 2.015 10 0 CEAERO C[NH2+]C[C@H]1C[C@@H]1c1cc(Cl)c2c(c1)OCCO2 ZINC000054588876 522097746 /nfs/dbraw/zinc/09/77/46/522097746.db2.gz VNSWNEIGWTVUAD-NXEZZACHSA-N 1 0 253.729 2.434 10 0 CEAERO C[NH2+]Cc1c(-n2ccc(C3CC3)n2)nc2ccccn21 ZINC000052884841 522098286 /nfs/dbraw/zinc/09/82/86/522098286.db2.gz WUZGESAAQUCIIB-UHFFFAOYSA-N 1 0 267.336 2.117 10 0 CEAERO CCc1csc([C@@H]2CCC[N@H+](CCC(=O)OC)C2)n1 ZINC000157817404 522112498 /nfs/dbraw/zinc/11/24/98/522112498.db2.gz YPNUJEUWDLRVSQ-LLVKDONJSA-N 1 0 282.409 2.448 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc(C)ccc2N)CC1 ZINC000055085270 522115827 /nfs/dbraw/zinc/11/58/27/522115827.db2.gz BDJDRIGKUUCGFT-CYBMUJFWSA-N 1 0 275.396 2.134 10 0 CEAERO COc1cc(C(=O)NC[C@@H]2CCC[C@H](C)[NH2+]2)ccc1C ZINC000051573356 522116252 /nfs/dbraw/zinc/11/62/52/522116252.db2.gz AZJOVCSWJXOBKP-JSGCOSHPSA-N 1 0 276.380 2.264 10 0 CEAERO C[NH2+]Cc1ccc(N2CCC(C(C)(C)C)CC2)nn1 ZINC000051398465 522120791 /nfs/dbraw/zinc/12/07/91/522120791.db2.gz ZWQPCAVUDVWREP-UHFFFAOYSA-N 1 0 262.401 2.459 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(Cc2nc3cc(N)ccc3[nH]2)CC1 ZINC000055063492 522125732 /nfs/dbraw/zinc/12/57/32/522125732.db2.gz IBWVWKRPCQFTEW-GFCCVEGCSA-N 1 0 287.411 2.061 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(c2ncc(CO)cc2Cl)CC1 ZINC000055069086 522136228 /nfs/dbraw/zinc/13/62/28/522136228.db2.gz DGHLTBRPQAEMQP-LLVKDONJSA-N 1 0 283.803 2.148 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(c2n[nH]c(=S)n2C2CC2)CC1 ZINC000055069004 522136680 /nfs/dbraw/zinc/13/66/80/522136680.db2.gz ZMCUHJXGUYMQSO-SNVBAGLBSA-N 1 0 281.429 2.196 10 0 CEAERO C[NH2+]Cc1ccoc1CN(C)Cc1csc(C)n1 ZINC000052505781 522140894 /nfs/dbraw/zinc/14/08/94/522140894.db2.gz SFMDGRYGIAVHMW-UHFFFAOYSA-N 1 0 265.382 2.396 10 0 CEAERO C[NH2+]Cc1coc(CN2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000052573160 522148758 /nfs/dbraw/zinc/14/87/58/522148758.db2.gz OYEYWTRNKYBPDV-GJZGRUSLSA-N 1 0 264.369 2.142 10 0 CEAERO C[NH2+]Cc1nc(Cn2nc(C)c(C)c2C)cs1 ZINC000052591860 522151500 /nfs/dbraw/zinc/15/15/00/522151500.db2.gz WCWWLGRHRSZGEY-UHFFFAOYSA-N 1 0 250.371 2.033 10 0 CEAERO C[NH2+]Cc1nccn1Cc1sccc1Br ZINC000051004323 522154799 /nfs/dbraw/zinc/15/47/99/522154799.db2.gz CMUFTMZUJRQKGI-UHFFFAOYSA-N 1 0 286.198 2.475 10 0 CEAERO CC[C@H](C[NH2+]C)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000052443441 522191910 /nfs/dbraw/zinc/19/19/10/522191910.db2.gz MBOQSZXUOTWCKB-CQSZACIVSA-N 1 0 281.831 2.460 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)Nc1ccccc1[C@H](C)O ZINC000049547471 522228396 /nfs/dbraw/zinc/22/83/96/522228396.db2.gz ISLBMGQMFUFLGA-MNOVXSKESA-N 1 0 250.342 2.067 10 0 CEAERO CC[C@@H](C)[NH2+][C@@]1(C(N)=O)CCCc2sccc21 ZINC000061329947 522234223 /nfs/dbraw/zinc/23/42/23/522234223.db2.gz ODGDOADINUSIFM-RNCFNFMXSA-N 1 0 252.383 2.153 10 0 CEAERO CN(C)c1ccc([C@@H](O)[C@H]([NH3+])c2ccccc2)cc1 ZINC000054682924 522245374 /nfs/dbraw/zinc/24/53/74/522245374.db2.gz ANBLNQIKZPXWPE-HZPDHXFCSA-N 1 0 256.349 2.486 10 0 CEAERO Cc1cccc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1O ZINC000155443412 534623567 /nfs/dbraw/zinc/62/35/67/534623567.db2.gz QZOSPKCAEAEDDW-JSGCOSHPSA-N 1 0 276.380 2.159 10 0 CEAERO CN(C)c1cccc(OC[C@H]2CC[C@H](C[NH2+]C3CC3)O2)c1 ZINC000052703630 522281910 /nfs/dbraw/zinc/28/19/10/522281910.db2.gz FMUVKAFFVCOSHN-IAGOWNOFSA-N 1 0 290.407 2.431 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cc(F)cc(F)c1F ZINC000061118893 522303975 /nfs/dbraw/zinc/30/39/75/522303975.db2.gz FDHGLPUUOCHVCY-KSBSHMNSSA-N 1 0 260.259 2.416 10 0 CEAERO CC[C@H]([NH3+])Cc1noc(-c2cc(OC)cc(OC)c2)n1 ZINC000054184717 522336304 /nfs/dbraw/zinc/33/63/04/522336304.db2.gz ROJJMXLHCNWZMJ-JTQLQIEISA-N 1 0 277.324 2.034 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1CC)c1ccc(C)o1 ZINC000061594428 522339268 /nfs/dbraw/zinc/33/92/68/522339268.db2.gz HNFXBGNDJCHPBO-GXSJLCMTSA-N 1 0 296.396 2.063 10 0 CEAERO C[NH2+][C@@H](COC)Cc1ccc(Br)cc1 ZINC000049672380 522353950 /nfs/dbraw/zinc/35/39/50/522353950.db2.gz PRUNBKUCYBRUKS-LLVKDONJSA-N 1 0 258.159 2.226 10 0 CEAERO C[NH2+][C@@H](CN1c2ccccc2CCCC1=O)C1CC1 ZINC000069077391 522354722 /nfs/dbraw/zinc/35/47/22/522354722.db2.gz LGYSVQWQSADSQD-AWEZNQCLSA-N 1 0 258.365 2.354 10 0 CEAERO C[NH2+][C@@H](c1ccnn1C)C1(c2ccccc2)CCOCC1 ZINC000069468046 522371850 /nfs/dbraw/zinc/37/18/50/522371850.db2.gz HPCPJTWDSHXBIU-INIZCTEOSA-N 1 0 285.391 2.429 10 0 CEAERO C[NH2+][C@@H](c1ccc2c(c1)CCCC2)[C@@H]1COCCO1 ZINC000055299246 522372104 /nfs/dbraw/zinc/37/21/04/522372104.db2.gz FNFNBYJBUZXFPI-HOTGVXAUSA-N 1 0 261.365 2.241 10 0 CEAERO C[NH2+][C@@H](c1ccc2ncccc2c1)c1cnccn1 ZINC000069499993 522373084 /nfs/dbraw/zinc/37/30/84/522373084.db2.gz VVAMKBMOICAULW-HNNXBMFYSA-N 1 0 250.305 2.334 10 0 CEAERO C[NH2+][C@@H]1CCCc2nc(N3C[C@@H](C)O[C@@H](C)C3)sc21 ZINC000054900536 522390031 /nfs/dbraw/zinc/39/00/31/522390031.db2.gz RRNRPYRVZUSNPU-OUAUKWLOSA-N 1 0 281.425 2.354 10 0 CEAERO C[NH2+][C@@H]1COc2cc(O[C@@H]3CCCC[C@@H]3O)ccc21 ZINC000062804289 522400466 /nfs/dbraw/zinc/40/04/66/522400466.db2.gz QLDCCDQGOIJWLY-HZSPNIEDSA-N 1 0 263.337 2.022 10 0 CEAERO CCc1nc(NC(=O)[C@H]([NH3+])CC(C)C)sc1C ZINC000049184619 522400597 /nfs/dbraw/zinc/40/05/97/522400597.db2.gz HBNOWYOVIKHTAF-SECBINFHSA-N 1 0 255.387 2.326 10 0 CEAERO C[NH2+][C@@](C)(CCCCSc1nc(C)cs1)C(N)=O ZINC000045588282 522408992 /nfs/dbraw/zinc/40/89/92/522408992.db2.gz PKASRMODXRMELT-LBPRGKRZSA-N 1 0 287.454 2.177 10 0 CEAERO C[NH2+][C@@](C)(C[C@@H](C)[N@@H+]1CC[C@H](c2ccccc2)C1)C(=O)[O-] ZINC000068641733 522417595 /nfs/dbraw/zinc/41/75/95/522417595.db2.gz RHISECNTFSPNPC-KMFMINBZSA-N 1 0 290.407 2.317 10 0 CEAERO C[NH2+][C@H](C)c1ccc(F)cc1OCC(=O)N(C)C(C)C ZINC000062746634 522447850 /nfs/dbraw/zinc/44/78/50/522447850.db2.gz DFCNFAZDJMTIIK-LLVKDONJSA-N 1 0 282.359 2.352 10 0 CEAERO C[NH2+][C@H](C)c1ccc(Sc2nnnn2C)c(Cl)c1 ZINC000061699940 522451322 /nfs/dbraw/zinc/45/13/22/522451322.db2.gz WGZQMWRWANIBHC-SSDOTTSWSA-N 1 0 283.788 2.295 10 0 CEAERO C[NH2+][C@H](c1ccc2c(c1)CCC(=O)N2C)[C@H]1CCCCO1 ZINC000062806518 522482114 /nfs/dbraw/zinc/48/21/14/522482114.db2.gz OOUNZWIUGGAINT-NVXWUHKLSA-N 1 0 288.391 2.425 10 0 CEAERO C[NH2+][C@H](c1ccccc1)C(C)(C)CN1CCS(=O)CC1 ZINC000063019134 522485606 /nfs/dbraw/zinc/48/56/06/522485606.db2.gz YZDKJSDASUTPER-OAHLLOKOSA-N 1 0 294.464 2.038 10 0 CEAERO C[NH2+][C@H](c1ccnn1C)c1ccc(Br)cc1 ZINC000069020284 522485665 /nfs/dbraw/zinc/48/56/65/522485665.db2.gz DJIOZPWYFMHASL-LBPRGKRZSA-N 1 0 280.169 2.491 10 0 CEAERO CCc1nc2cc(N)ccc2n1[C@@H]1CCC[N@H+](C)C1 ZINC000052853666 522486361 /nfs/dbraw/zinc/48/63/61/522486361.db2.gz MQSZIXUQLMFDMX-GFCCVEGCSA-N 1 0 258.369 2.448 10 0 CEAERO C[NH2+][C@H]1CCCc2nc(N(C)C[C@@H]3CCCO3)sc21 ZINC000054907732 522498435 /nfs/dbraw/zinc/49/84/35/522498435.db2.gz YSVBRMQMIAEGCP-QWRGUYRKSA-N 1 0 281.425 2.355 10 0 CEAERO CN[C@](C)(CCCC[N@@H+]1CCCC(C)(C)C1)C(=O)OC ZINC000069516472 522514539 /nfs/dbraw/zinc/51/45/39/522514539.db2.gz LTRGYRXCISQILO-MRXNPFEDSA-N 1 0 284.444 2.430 10 0 CEAERO C[NH2+][C@](C)(CCSCc1cccc(C)c1)C(N)=O ZINC000054966529 522515403 /nfs/dbraw/zinc/51/54/03/522515403.db2.gz ZLMXICWGGWJQAX-CQSZACIVSA-N 1 0 266.410 2.082 10 0 CEAERO CCc1ncc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)s1 ZINC000068437547 522547540 /nfs/dbraw/zinc/54/75/40/522547540.db2.gz HLGMGWMFMINZJS-LLVKDONJSA-N 1 0 283.441 2.412 10 0 CEAERO CNc1ccc(Cl)cc1C(=O)NCCC[NH+](C)C ZINC000050743349 522626738 /nfs/dbraw/zinc/62/67/38/522626738.db2.gz IDGQGDYHABYHOV-UHFFFAOYSA-N 1 0 269.776 2.063 10 0 CEAERO CN(CC1CC1)[C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062710235 522633145 /nfs/dbraw/zinc/63/31/45/522633145.db2.gz CETZPVVJENVNDD-LBPRGKRZSA-N 1 0 258.287 2.446 10 0 CEAERO COc1cc(NC(=[NH2+])NC(C)C)cc(OC)c1OC ZINC000052069277 522638601 /nfs/dbraw/zinc/63/86/01/522638601.db2.gz SDOHCVOSMOKOLA-UHFFFAOYSA-N 1 0 267.329 2.057 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc(C)c(O[C@H](CC)C(N)=O)c(C)c1 ZINC000061678342 522642926 /nfs/dbraw/zinc/64/29/26/522642926.db2.gz YAQHXWZNENLPLI-ZIAGYGMSSA-N 1 0 278.396 2.226 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C(C)C)C(C)(C)C ZINC000061595156 522649003 /nfs/dbraw/zinc/64/90/03/522649003.db2.gz SKEUXSFBNNULPA-NXEZZACHSA-N 1 0 286.445 2.396 10 0 CEAERO CNc1cccc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC000051068659 522650756 /nfs/dbraw/zinc/65/07/56/522650756.db2.gz PMYAIBFTQQRXIF-ZDUSSCGKSA-N 1 0 290.411 2.118 10 0 CEAERO CC[C@@H]([NH3+])[C@H](OCC1CCOCC1)c1ccncc1 ZINC000052149233 522652009 /nfs/dbraw/zinc/65/20/09/522652009.db2.gz WANNWQWIKVEDJP-HUUCEWRRSA-N 1 0 264.369 2.303 10 0 CEAERO COC1CCN(c2ncc(C[NH2+]C(C)C)s2)CC1 ZINC000054903167 522708615 /nfs/dbraw/zinc/70/86/15/522708615.db2.gz ZECKVSBWXQVPDN-UHFFFAOYSA-N 1 0 269.414 2.256 10 0 CEAERO COC1CCN(c2cccc(Cl)c2C(N)=[NH2+])CC1 ZINC000052904986 522709008 /nfs/dbraw/zinc/70/90/08/522709008.db2.gz RPSMSIBBHBZQMB-UHFFFAOYSA-N 1 0 267.760 2.239 10 0 CEAERO CC[C@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2)C1=O)C(C)C ZINC000049128566 522709847 /nfs/dbraw/zinc/70/98/47/522709847.db2.gz RNWOHMWKNJKKLV-UONOGXRCSA-N 1 0 274.364 2.343 10 0 CEAERO CC[C@H]([NH2+][C@H]1CC(=O)N(C(C)C)C1=O)C1CCCCC1 ZINC000052336413 522749608 /nfs/dbraw/zinc/74/96/08/522749608.db2.gz BRVAODHKQDGTCK-KBPBESRZSA-N 1 0 280.412 2.471 10 0 CEAERO CC[C@@H](NC(=O)[C@H]1Cc2ccccc2C[NH2+]1)C(C)C ZINC000049146935 522772323 /nfs/dbraw/zinc/77/23/23/522772323.db2.gz PDSNALIAAVXQTH-HUUCEWRRSA-N 1 0 260.381 2.252 10 0 CEAERO COc1cc(OC)cc(-c2nnc(CC[NH2+]C(C)C)o2)c1 ZINC000050620119 522839260 /nfs/dbraw/zinc/83/92/60/522839260.db2.gz UYDGJVSXLOFIII-UHFFFAOYSA-N 1 0 291.351 2.294 10 0 CEAERO CC[C@H](Oc1c(C[NH2+]CC(C)C)cccc1OC)C(N)=O ZINC000062732329 522867924 /nfs/dbraw/zinc/86/79/24/522867924.db2.gz AZHBWPDRTPQMTD-ZDUSSCGKSA-N 1 0 294.395 2.084 10 0 CEAERO COC[C@](C)([NH3+])Cc1ccc(Br)cc1 ZINC000053173503 522883825 /nfs/dbraw/zinc/88/38/25/522883825.db2.gz 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523396755 /nfs/dbraw/zinc/39/67/55/523396755.db2.gz HHFZVILBHNQRDH-UHFFFAOYSA-N 1 0 277.759 2.048 10 0 CEAERO CN(Cc1cccnc1C(N)=[NH2+])c1cccc(F)c1 ZINC000061658372 523421440 /nfs/dbraw/zinc/42/14/40/523421440.db2.gz ZUNVUZBDHSFXMN-UHFFFAOYSA-N 1 0 258.300 2.141 10 0 CEAERO CC[C@](C)(C[NH2+]C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000054661556 523464113 /nfs/dbraw/zinc/46/41/13/523464113.db2.gz PKIVYAOZYDFHPC-DGCLKSJQSA-N 1 0 261.431 2.226 10 0 CEAERO CC[C@@H]1CN([C@@H](C[NH3+])c2cc(F)c(F)c(F)c2)CCO1 ZINC000062709998 523466703 /nfs/dbraw/zinc/46/67/03/523466703.db2.gz DDIXAXDWRMOGMT-MFKMUULPSA-N 1 0 288.313 2.215 10 0 CEAERO CC[C@@H]1COCCN1c1ncc([C@@H](C)[NH2+]C)s1 ZINC000054904711 523503054 /nfs/dbraw/zinc/50/30/54/523503054.db2.gz IWQLVRNOPIZVEB-NXEZZACHSA-N 1 0 255.387 2.039 10 0 CEAERO CC[C@@H]1CO[C@@H](C)CN1Cc1cc(C[NH2+]C)c(C)o1 ZINC000052570903 523507069 /nfs/dbraw/zinc/50/70/69/523507069.db2.gz ABCCAKXZNCJHDW-SMDDNHRTSA-N 1 0 266.385 2.307 10 0 CEAERO CC[C@@H]1CO[C@H](C)CN1Cc1cc(C)c(C[NH2+]C)o1 ZINC000052571291 523517165 /nfs/dbraw/zinc/51/71/65/523517165.db2.gz SOBJLPNAAOGTKZ-CHWSQXEVSA-N 1 0 266.385 2.307 10 0 CEAERO CN(Cc1cscn1)C[C@@](C)([NH3+])c1ccccc1 ZINC000052883604 523538876 /nfs/dbraw/zinc/53/88/76/523538876.db2.gz JSJHLYGOKCITFS-CQSZACIVSA-N 1 0 261.394 2.449 10 0 CEAERO CC[C@]1(C(=O)Nc2cccnc2Cl)CCC[NH2+]C1 ZINC000062855104 523545946 /nfs/dbraw/zinc/54/59/46/523545946.db2.gz SJJWGPRGXPKYOU-ZDUSSCGKSA-N 1 0 267.760 2.453 10 0 CEAERO CCn1ccnc1[C@@H]([NH3+])c1cccc2ncccc21 ZINC000061418606 523554409 /nfs/dbraw/zinc/55/44/09/523554409.db2.gz DRUSGICTVDUXIU-AWEZNQCLSA-N 1 0 252.321 2.499 10 0 CEAERO CCn1ccnc1[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C ZINC000069497817 523554686 /nfs/dbraw/zinc/55/46/86/523554686.db2.gz FZFQMNVQEWJLKP-CYBMUJFWSA-N 1 0 289.379 2.423 10 0 CEAERO CO[C@@H]1CCC[C@@H](OCC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000070323807 523616330 /nfs/dbraw/zinc/61/63/30/523616330.db2.gz FWWFHBHPDZSOQL-HUUCEWRRSA-N 1 0 292.379 2.058 10 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298.818 2.268 10 0 CEAERO C[N@@H+]1CCCC[C@@H]1CCNCc1cccc2c1OCO2 ZINC000052205798 523792878 /nfs/dbraw/zinc/79/28/78/523792878.db2.gz BJLNBMLXCXVNGR-CQSZACIVSA-N 1 0 276.380 2.379 10 0 CEAERO COc1ccc(C)cc1C[N@H+](C)C[C@H](C)C(N)=S ZINC000050704075 523808668 /nfs/dbraw/zinc/80/86/68/523808668.db2.gz GSSHUFHJWKACRB-NSHDSACASA-N 1 0 266.410 2.358 10 0 CEAERO C[N@@H+]1CCC[C@H](Nc2ccc(Cl)cc2C(N)=S)C1 ZINC000052858460 523845548 /nfs/dbraw/zinc/84/55/48/523845548.db2.gz ASSLCIKYJOEULE-JTQLQIEISA-N 1 0 283.828 2.480 10 0 CEAERO CC[C@H](C)CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C)cc1 ZINC000054489125 523886857 /nfs/dbraw/zinc/88/68/57/523886857.db2.gz YGKOTQFTFRLBFH-RYUDHWBXSA-N 1 0 284.425 2.291 10 0 CEAERO CN(C(=O)Nc1cccc(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000226459587 523888378 /nfs/dbraw/zinc/88/83/78/523888378.db2.gz QDRKDAQJKSEXHT-CYBMUJFWSA-N 1 0 265.332 2.432 10 0 CEAERO COC(=O)[C@H](CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)NC(C)C ZINC000062451576 523898923 /nfs/dbraw/zinc/89/89/23/523898923.db2.gz GASFVFMIWLLIBC-XHSDSOJGSA-N 1 0 296.455 2.428 10 0 CEAERO COCC[NH2+]CCCc1c(C)nc(C(C)C)nc1C ZINC000054837937 523935811 /nfs/dbraw/zinc/93/58/11/523935811.db2.gz OTWXCKOZYSUFTE-UHFFFAOYSA-N 1 0 265.401 2.385 10 0 CEAERO COCC[NH2+]C[C@@H]1C[C@H]1c1cc(Cl)c2c(c1)OCCO2 ZINC000054598695 523941385 /nfs/dbraw/zinc/94/13/85/523941385.db2.gz KHJQUSQMAAPXOZ-RYUDHWBXSA-N 1 0 297.782 2.451 10 0 CEAERO COCC[NH2+]C[C@@H]1C[C@H]1c1ccc(OC)c(OC)c1OC ZINC000054598595 523941841 /nfs/dbraw/zinc/94/18/41/523941841.db2.gz HDRWTOKBLBOVTC-WCQYABFASA-N 1 0 295.379 2.052 10 0 CEAERO COCC[NH2+]C[C@H]1C[C@@]1(C)c1ccc(F)cc1F ZINC000054599034 523944555 /nfs/dbraw/zinc/94/45/55/523944555.db2.gz RALZGLFOHNRZMA-QMTHXVAHSA-N 1 0 255.308 2.478 10 0 CEAERO CC[C@H](C)[NH+]1CCN(C(=O)c2cc(F)c(F)cc2N)CC1 ZINC000055064079 523951604 /nfs/dbraw/zinc/95/16/04/523951604.db2.gz PRSSVSXRPUFVBM-JTQLQIEISA-N 1 0 297.349 2.103 10 0 CEAERO COCC[NH2+]Cc1ccc(-n2cc(C)cn2)c(F)c1 ZINC000062738642 523952200 /nfs/dbraw/zinc/95/22/00/523952200.db2.gz YSONUJGPZXUKRZ-UHFFFAOYSA-N 1 0 263.316 2.056 10 0 CEAERO COCC[NH2+]Cc1ccc(OCCOC(C)C)cc1 ZINC000062729178 523953657 /nfs/dbraw/zinc/95/36/57/523953657.db2.gz XFRIDEFBBRNFHQ-UHFFFAOYSA-N 1 0 267.369 2.226 10 0 CEAERO COCC[NH2+]Cc1cccc(OCc2cscn2)c1 ZINC000062731694 523954140 /nfs/dbraw/zinc/95/41/40/523954140.db2.gz PGGGHLROIPNFIG-UHFFFAOYSA-N 1 0 278.377 2.458 10 0 CEAERO CC[C@H](C)[NH+]1CCN([C@H]2CNc3ccccc3C2)CC1 ZINC000055067311 523959254 /nfs/dbraw/zinc/95/92/54/523959254.db2.gz XTQVVGRXUMDJHC-GOEBONIOSA-N 1 0 273.424 2.439 10 0 CEAERO CC[C@H](C)[NH+]1CCN(c2ccc(CO)c(C)c2)CC1 ZINC000055068053 523960923 /nfs/dbraw/zinc/96/09/23/523960923.db2.gz IXTIRNTWQFIOPS-AWEZNQCLSA-N 1 0 262.397 2.408 10 0 CEAERO CN1CC[C@@H]([NH3+])[C@@H]1c1ccccc1Br ZINC000069798978 523961991 /nfs/dbraw/zinc/96/19/91/523961991.db2.gz OLMDBAOYGNVZBS-MNOVXSKESA-N 1 0 255.159 2.153 10 0 CEAERO COC(=O)[C@](C)(C[C@@H](C)[N@H+](C)CC1CCC1)NC(C)C ZINC000068642730 524000506 /nfs/dbraw/zinc/00/05/06/524000506.db2.gz IFTBHDKYJDSACO-CJNGLKHVSA-N 1 0 284.444 2.427 10 0 CEAERO COC(=O)[C@](C)(C[C@H](C)[N@@H+]1CCC[C@@H](C)C1)NC(C)C ZINC000068619519 524001311 /nfs/dbraw/zinc/00/13/11/524001311.db2.gz UVDHTIGITPOFOP-YCPHGPKFSA-N 1 0 284.444 2.427 10 0 CEAERO COc1ccc(C[N@H+](C)CC2(CO)CCOCC2)cc1F ZINC000052199072 524002151 /nfs/dbraw/zinc/00/21/51/524002151.db2.gz DFDVABWCLYKKOF-UHFFFAOYSA-N 1 0 297.370 2.055 10 0 CEAERO CCc1ccc(OCC[C@H]([NH3+])C(N)=O)c(C(C)(C)C)c1 ZINC000062546668 524007286 /nfs/dbraw/zinc/00/72/86/524007286.db2.gz AOCMRQIPRKWWSE-ZDUSSCGKSA-N 1 0 278.396 2.128 10 0 CEAERO CCc1ccc([C@@H](C[NH3+])N(C)C[C@@H]2CCCCO2)o1 ZINC000051725772 524028575 /nfs/dbraw/zinc/02/85/75/524028575.db2.gz DHVSTPWDCCSWID-UONOGXRCSA-N 1 0 266.385 2.343 10 0 CEAERO C[N@H+]1[C@@H]2CC[C@H]1CC(CNC(=O)c1cccc(Cl)n1)C2 ZINC000051073907 524031176 /nfs/dbraw/zinc/03/11/76/524031176.db2.gz VIHQUGKRIKUWSH-YOGCLGLASA-N 1 0 293.798 2.338 10 0 CEAERO CCc1cccc(C)c1NS(=O)(=O)C1CC[NH2+]CC1 ZINC000049632368 524066115 /nfs/dbraw/zinc/06/61/15/524066115.db2.gz XDLSJCDGVYFKNC-UHFFFAOYSA-N 1 0 282.409 2.051 10 0 CEAERO COc1ccc(C[NH2+]C(C)(C)C)c(OC[C@H](C)C(N)=O)c1 ZINC000062733109 524068968 /nfs/dbraw/zinc/06/89/68/524068968.db2.gz OWXBRZDXXHSOTL-NSHDSACASA-N 1 0 294.395 2.084 10 0 CEAERO CNC(=O)CC[NH2+]C1c2ccccc2Cc2ccccc21 ZINC000061669882 524068962 /nfs/dbraw/zinc/06/89/62/524068962.db2.gz JWYYDTKXCUPBPZ-UHFFFAOYSA-N 1 0 280.371 2.406 10 0 CEAERO CNC(=O)CCOc1ccc(OC)cc1C[NH2+]C(C)(C)C ZINC000062727567 524069851 /nfs/dbraw/zinc/06/98/51/524069851.db2.gz RQTGKVIGXASAJB-UHFFFAOYSA-N 1 0 294.395 2.098 10 0 CEAERO CNC(=O)COc1c(C)cc(C[NH2+]CC(C)C)cc1C ZINC000062728569 524074743 /nfs/dbraw/zinc/07/47/43/524074743.db2.gz LLTBDUBTNUKCMH-UHFFFAOYSA-N 1 0 278.396 2.174 10 0 CEAERO Cc1cc(C(=O)N[C@H]2CCC[C@H]2[NH3+])c2ccccc2n1 ZINC000063172784 524151263 /nfs/dbraw/zinc/15/12/63/524151263.db2.gz XKRINEKTSIDZAB-HIFRSBDPSA-N 1 0 269.348 2.153 10 0 CEAERO COc1ccc(C[C@H](C[NH3+])C(=O)NC(C)(C)C)cc1C ZINC000050596598 524153724 /nfs/dbraw/zinc/15/37/24/524153724.db2.gz NOAPRFYFYGRKDG-CYBMUJFWSA-N 1 0 278.396 2.036 10 0 CEAERO Cc1cccc(C(=O)CN2CCC[C@H]2C[NH+](C)C)c1 ZINC000061645743 524159837 /nfs/dbraw/zinc/15/98/37/524159837.db2.gz XUYJDKPIZJLFIL-HNNXBMFYSA-N 1 0 260.381 2.204 10 0 CEAERO C[C@H](CC[NH+](C)C)NCC(=O)Nc1ccccc1Cl ZINC000049557738 524162613 /nfs/dbraw/zinc/16/26/13/524162613.db2.gz FPWMFIGWDUWJLM-LLVKDONJSA-N 1 0 283.803 2.208 10 0 CEAERO COc1cccc([C@H](O)CN2CC[NH+](CC(C)C)CC2)c1 ZINC000055080945 524165566 /nfs/dbraw/zinc/16/55/66/524165566.db2.gz MBULIKCPVXSHTL-QGZVFWFLSA-N 1 0 292.423 2.002 10 0 CEAERO C[C@H]1CCC[C@@](CO)([NH2+]Cc2cccc3c2OCO3)C1 ZINC000053116346 524172578 /nfs/dbraw/zinc/17/25/78/524172578.db2.gz WDBNGCZHIJWDLH-BLLLJJGKSA-N 1 0 277.364 2.446 10 0 CEAERO Cc1ccc(C)c(OC[C@@](C)([NH2+]C(C)C)C(N)=O)c1C ZINC000045520298 524181324 /nfs/dbraw/zinc/18/13/24/524181324.db2.gz LPHFCOABKSZIOL-MRXNPFEDSA-N 1 0 278.396 2.233 10 0 CEAERO Cc1ccc(C)c(O[C@@H](C)C[C@@](C)([NH2+]C2CC2)C(N)=O)c1 ZINC000068655933 524184687 /nfs/dbraw/zinc/18/46/87/524184687.db2.gz KVOIQQWNAIOPAI-SUMWQHHRSA-N 1 0 290.407 2.457 10 0 CEAERO COc1ccc(Cl)cc1-n1nnnc1C[NH2+]CC(C)C ZINC000054744658 524190104 /nfs/dbraw/zinc/19/01/04/524190104.db2.gz MZLQZBMNNXFGBD-UHFFFAOYSA-N 1 0 295.774 2.070 10 0 CEAERO COc1cccc([S@@](=O)C2CCC([NH3+])CC2)c1 ZINC000055144807 524192045 /nfs/dbraw/zinc/19/20/45/524192045.db2.gz FAVJEDMDEFQIML-WDFXGECGSA-N 1 0 253.367 2.073 10 0 CEAERO C[C@H]1CCC[C@H](C[NH3+])N1C(=O)Cc1cccs1 ZINC000070151590 524195101 /nfs/dbraw/zinc/19/51/01/524195101.db2.gz HPDAABPMRWAXJR-WDEREUQCSA-N 1 0 252.383 2.019 10 0 CEAERO COc1ccc(Cl)cc1C1(O)CC[NH+](C)CC1 ZINC000055192384 524198773 /nfs/dbraw/zinc/19/87/73/524198773.db2.gz PYHOBBAYRXMHPE-UHFFFAOYSA-N 1 0 255.745 2.262 10 0 CEAERO COc1ccc(Cl)cc1[C@@](O)([C@H](C)[NH3+])C(F)(F)F ZINC000062784395 524254249 /nfs/dbraw/zinc/25/42/49/524254249.db2.gz ZQTSTTNCTGQJAO-WKEGUHRASA-N 1 0 283.677 2.446 10 0 CEAERO C[C@H]1CCN(C(=O)c2ccc3ncccc3c2)C[C@H]1[NH3+] ZINC000070146078 524269907 /nfs/dbraw/zinc/26/99/07/524269907.db2.gz ZUGKRBISRAZSQC-SMDDNHRTSA-N 1 0 269.348 2.044 10 0 CEAERO Cc1ccc(CCC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000052945795 524301139 /nfs/dbraw/zinc/30/11/39/524301139.db2.gz FRHWZTJNGKUMOC-GVDBMIGSSA-N 1 0 286.419 2.432 10 0 CEAERO C[C@H](CN1CCOCC1)[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000069389964 524359078 /nfs/dbraw/zinc/35/90/78/524359078.db2.gz QDBMXUBDHPNVSV-FRRDWIJNSA-N 1 0 294.361 2.418 10 0 CEAERO Cc1ccc(CN(C)C(=O)[C@]2(C)CC[NH2+]C2)c(C)c1 ZINC000062895005 524377778 /nfs/dbraw/zinc/37/77/78/524377778.db2.gz VHTHCSNLXCXGOG-MRXNPFEDSA-N 1 0 260.381 2.261 10 0 CEAERO C[C@@H]1CCC[C@H](SCC(=O)N2CCC[NH2+]CC2)C1 ZINC000054694788 524413681 /nfs/dbraw/zinc/41/36/81/524413681.db2.gz PICLYFKGQGUQOH-OLZOCXBDSA-N 1 0 270.442 2.120 10 0 CEAERO C[C@@H](CCC[NH2+]C1CC1)N(C)Cc1cscn1 ZINC000052503845 524458514 /nfs/dbraw/zinc/45/85/14/524458514.db2.gz FGZZKQMYUIDRMA-NSHDSACASA-N 1 0 253.415 2.496 10 0 CEAERO C[C@H](CNc1nc(Cl)nc(Cl)n1)[NH+]1CCCCC1 ZINC000061519028 524511711 /nfs/dbraw/zinc/51/17/11/524511711.db2.gz GNMSCKRVKCPRJK-MRVPVSSYSA-N 1 0 290.198 2.465 10 0 CEAERO COc1ccccc1N(C)C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000062860609 524524434 /nfs/dbraw/zinc/52/44/34/524524434.db2.gz ANHQPRKENGHUOM-OAHLLOKOSA-N 1 0 262.353 2.048 10 0 CEAERO C[C@@H](C[NH3+])c1noc(-c2cccc3cccnc32)n1 ZINC000061418929 524587329 /nfs/dbraw/zinc/58/73/29/524587329.db2.gz YJKXTXRMVQBYOW-VIFPVBQESA-N 1 0 254.293 2.347 10 0 CEAERO COc1ccc(NC(=O)[C@](C)([NH3+])c2ccccc2)cc1O ZINC000052881939 524620574 /nfs/dbraw/zinc/62/05/74/524620574.db2.gz HTIYBPCKBWEKJX-MRXNPFEDSA-N 1 0 286.331 2.213 10 0 CEAERO C[C@H](C[C@](C)(NC1CC1)C(N)=O)[N@H+](C)C1CCCCC1 ZINC000068621146 524654833 /nfs/dbraw/zinc/65/48/33/524654833.db2.gz ZZLQFZDRJXYHAA-WBMJQRKESA-N 1 0 281.444 2.026 10 0 CEAERO C[C@H]1CN(c2ncc(C[NH2+]C3CC3)s2)CC(C)(C)O1 ZINC000054908058 524678417 /nfs/dbraw/zinc/67/84/17/524678417.db2.gz ZBWYNZWHXKTKTO-JTQLQIEISA-N 1 0 281.425 2.399 10 0 CEAERO COc1ccccc1O[C@@H](C)C[C@](C)([NH2+]C(C)C)C(N)=O ZINC000068656621 524691355 /nfs/dbraw/zinc/69/13/55/524691355.db2.gz ACVYOLACYONBGH-LRDDRELGSA-N 1 0 294.395 2.095 10 0 CEAERO Cc1cc(CN2CCOCC2(C)C)oc1C[NH2+]C1CC1 ZINC000052546249 524700302 /nfs/dbraw/zinc/70/03/02/524700302.db2.gz KGHAWIDZSDUFFA-UHFFFAOYSA-N 1 0 278.396 2.451 10 0 CEAERO Cc1cc(CN2CCOC[C@H]2C)oc1C[NH2+]C(C)C ZINC000052476173 524700611 /nfs/dbraw/zinc/70/06/11/524700611.db2.gz CYCJEXGPHLNWSU-CYBMUJFWSA-N 1 0 266.385 2.307 10 0 CEAERO COc1ccccc1SCC[C@@H]([NH2+]C(C)C)C(N)=O ZINC000062601912 524708756 /nfs/dbraw/zinc/70/87/56/524708756.db2.gz VRANQOZAQVIUIT-LLVKDONJSA-N 1 0 282.409 2.029 10 0 CEAERO Cc1ccc(Cl)cc1NS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000049631629 524757651 /nfs/dbraw/zinc/75/76/51/524757651.db2.gz ZGOLVRJANIVGMU-LLVKDONJSA-N 1 0 288.800 2.142 10 0 CEAERO Cc1cc(C[NH2+]C[C@H](C(C)C)N(C)C)c(C)n1C ZINC000052789740 524758225 /nfs/dbraw/zinc/75/82/25/524758225.db2.gz LCJAQGZSEOQJOI-OAHLLOKOSA-N 1 0 251.418 2.318 10 0 CEAERO Cc1cccc(OC[C@]([NH2+]C(C)C)(C(N)=O)C2CC2)c1C ZINC000069197080 524764804 /nfs/dbraw/zinc/76/48/04/524764804.db2.gz WJQQBKHCJFKJIL-QGZVFWFLSA-N 1 0 290.407 2.314 10 0 CEAERO Cc1ccc(F)c(C(=O)N[C@@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000052981612 524795832 /nfs/dbraw/zinc/79/58/32/524795832.db2.gz IKCXHXQXENJRBS-SMDDNHRTSA-N 1 0 264.344 2.395 10 0 CEAERO Cc1cc(COc2ccc(S(C)(=O)=O)cc2)oc1C[NH3+] ZINC000052702134 524806770 /nfs/dbraw/zinc/80/67/70/524806770.db2.gz VUTCFZGVDYJMFR-UHFFFAOYSA-N 1 0 295.360 2.029 10 0 CEAERO Cc1ccc(F)cc1C(=O)N[C@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000062664899 524848138 /nfs/dbraw/zinc/84/81/38/524848138.db2.gz KCUWXIFWDPWGQR-SCRDCRAPSA-N 1 0 276.355 2.252 10 0 CEAERO C[C@H]([NH3+])[C@H](c1ccc(F)cc1)N1CCC[C@@H]1CCCO ZINC000052757563 524853485 /nfs/dbraw/zinc/85/34/85/524853485.db2.gz KKEKCGQFNWENQI-APHBMKBZSA-N 1 0 280.387 2.451 10 0 CEAERO COc1ccc(OC)c(NC(=O)C[C@@H]2CCC[NH2+]C2)c1 ZINC000054290124 524854304 /nfs/dbraw/zinc/85/43/04/524854304.db2.gz QALBJUAYMMQNMS-NSHDSACASA-N 1 0 278.352 2.032 10 0 CEAERO C[C@@H](C[C@](C)(N)C(N)=O)[N@@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000068648173 524859407 /nfs/dbraw/zinc/85/94/07/524859407.db2.gz QTUVMKMWVRQRFA-XEZPLFJOSA-N 1 0 283.460 2.116 10 0 CEAERO C[C@H]1C[C@H](C)CN(C(=O)c2cccc(CC[NH3+])c2)C1 ZINC000053661703 524880630 /nfs/dbraw/zinc/88/06/30/524880630.db2.gz WDQYFFRCHIZYEV-STQMWFEESA-N 1 0 260.381 2.306 10 0 CEAERO C[C@@H](Cc1c(F)cccc1F)[NH2+]Cc1cncnc1 ZINC000054767951 524885867 /nfs/dbraw/zinc/88/58/67/524885867.db2.gz BADGIEKCKBWDPA-JTQLQIEISA-N 1 0 263.291 2.476 10 0 CEAERO Cc1ccc(N(C)C[C@@]([NH3+])(CO)c2ccccc2)cc1 ZINC000070337861 524887152 /nfs/dbraw/zinc/88/71/52/524887152.db2.gz BVSGILDSYUPIIO-QGZVFWFLSA-N 1 0 270.376 2.278 10 0 CEAERO C[C@H](NC(=O)C1(C)CC[NH2+]CC1)c1ccsc1 ZINC000062841548 524900012 /nfs/dbraw/zinc/90/00/12/524900012.db2.gz ZEIBALVBOWPMFC-JTQLQIEISA-N 1 0 252.383 2.315 10 0 CEAERO C[C@H](NC(=O)C1(C)CC[NH2+]CC1)c1ccccc1F ZINC000062840407 524900129 /nfs/dbraw/zinc/90/01/29/524900129.db2.gz QISZPMHMGWSLGD-NSHDSACASA-N 1 0 264.344 2.393 10 0 CEAERO C[C@@H](Cc1ccco1)[NH2+][C@@H](C)c1nnc2n1CCC2 ZINC000062771623 524928686 /nfs/dbraw/zinc/92/86/86/524928686.db2.gz LUGNLPMRKDJQJV-QWRGUYRKSA-N 1 0 260.341 2.099 10 0 CEAERO COc1ccc(OCCC[NH+]2CCCC2)c(N)c1 ZINC000049331646 524944347 /nfs/dbraw/zinc/94/43/47/524944347.db2.gz WCQSBFJZKAWTRR-UHFFFAOYSA-N 1 0 250.342 2.142 10 0 CEAERO C[C@H](NC(=O)C[C@H]1CCC[NH2+]C1)c1cccs1 ZINC000054306087 524984089 /nfs/dbraw/zinc/98/40/89/524984089.db2.gz HRKCKEPWSCDMFF-WDEREUQCSA-N 1 0 252.383 2.315 10 0 CEAERO C[C@H]1Cc2ccccc2N1CC1(C[NH3+])CCOCC1 ZINC000052180994 524993026 /nfs/dbraw/zinc/99/30/26/524993026.db2.gz OUXUQJHAQULKAE-ZDUSSCGKSA-N 1 0 260.381 2.193 10 0 CEAERO C[C@@H]([NH3+])[C@@H](Sc1ncnc2[nH]cnc21)c1ccco1 ZINC000051036159 525007439 /nfs/dbraw/zinc/00/74/39/525007439.db2.gz JXFGZTHTALJEQA-GMSGAONNSA-N 1 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NKGDAKMFODAJTQ-AHIWAGSCSA-N 1 0 285.391 2.344 10 0 CEAERO C[C@@H]1CN(c2ccc(Cl)cc2C(N)=[NH2+])C[C@H](C)O1 ZINC000052859974 525065419 /nfs/dbraw/zinc/06/54/19/525065419.db2.gz MKXGMUDNOHUZSW-DTORHVGOSA-N 1 0 267.760 2.238 10 0 CEAERO C[C@@H]1CN(c2ncc(C[NH2+]C3CC3)s2)CC(C)(C)O1 ZINC000054908057 525073701 /nfs/dbraw/zinc/07/37/01/525073701.db2.gz ZBWYNZWHXKTKTO-SNVBAGLBSA-N 1 0 281.425 2.399 10 0 CEAERO C[C@@H](NC(=O)CC[C@@H]1CCCC[NH2+]1)c1cccc(O)c1 ZINC000050943503 525088969 /nfs/dbraw/zinc/08/89/69/525088969.db2.gz RXTYKJJMMOCWKP-OCCSQVGLSA-N 1 0 276.380 2.492 10 0 CEAERO C[C@@H]1C[NH2+]CCN1Cc1c(F)c(F)c(F)c(F)c1F ZINC000054372822 525093025 /nfs/dbraw/zinc/09/30/25/525093025.db2.gz NKLMTYCGKPCERO-ZCFIWIBFSA-N 1 0 280.240 2.176 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C)N1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000069133486 525095400 /nfs/dbraw/zinc/09/54/00/525095400.db2.gz WNJUCSLFGHWXMJ-INOYMQOOSA-N 1 0 291.439 2.347 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C)N1C(=O)c1ccc(Cl)s1 ZINC000068913238 525097257 /nfs/dbraw/zinc/09/72/57/525097257.db2.gz YLIRTBIMRGWQSD-HTQZYQBOSA-N 1 0 258.774 2.224 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H](C)N1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000069133305 525098763 /nfs/dbraw/zinc/09/87/63/525098763.db2.gz CYXBAOMAJDNNPC-LBJZDRIZSA-N 1 0 276.424 2.412 10 0 CEAERO C[C@@H]1COCCN1C[C@@](C)(C[NH2+]C1CC1)c1ccccc1 ZINC000051216809 525126450 /nfs/dbraw/zinc/12/64/50/525126450.db2.gz GGMBEICKISYLAU-CRAIPNDOSA-N 1 0 288.435 2.417 10 0 CEAERO C[C@@H]1COCCN1Cc1ccccc1C[NH2+]C1CC1 ZINC000052476105 525127047 /nfs/dbraw/zinc/12/70/47/525127047.db2.gz BIFHMQYUJSDBLD-CYBMUJFWSA-N 1 0 260.381 2.159 10 0 CEAERO C[C@H](NC(=O)[C@H]1CC[C@@H](C)[NH2+]C1)c1cccc(F)c1 ZINC000049532348 525178137 /nfs/dbraw/zinc/17/81/37/525178137.db2.gz AAWUZYJHPAIJLY-MDZLAQPJSA-N 1 0 264.344 2.391 10 0 CEAERO COc1ccc([C@@H](C[NH3+])N(C)[C@@H]2CCSC2)cc1C ZINC000050596611 525180227 /nfs/dbraw/zinc/18/02/27/525180227.db2.gz FMVNCRDITIMDHQ-ZIAGYGMSSA-N 1 0 280.437 2.441 10 0 CEAERO COc1ccc([C@@H]([NH3+])C[C@@H]2CCCO2)c(OC)c1 ZINC000055232821 525188992 /nfs/dbraw/zinc/18/89/92/525188992.db2.gz BYOBOQMKNBESOR-AAEUAGOBSA-N 1 0 251.326 2.273 10 0 CEAERO Cc1ccc(NC(=O)[C@H](C)[NH2+]C[C@@H]2CCCO2)cc1 ZINC000070204882 525212399 /nfs/dbraw/zinc/21/23/99/525212399.db2.gz XLXRKLKTOGLUCE-JSGCOSHPSA-N 1 0 262.353 2.091 10 0 CEAERO Cc1ccc(NS(=O)(=O)C[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000049631756 525292642 /nfs/dbraw/zinc/29/26/42/525292642.db2.gz KAIHUVBQOVCSMT-CYBMUJFWSA-N 1 0 282.409 2.045 10 0 CEAERO Cc1ccccc1O[C@H](C)C[C@](C)([NH2+]C(C)C)C(N)=O ZINC000068656366 525323561 /nfs/dbraw/zinc/32/35/61/525323561.db2.gz RSEQDBYOVFERSA-CJNGLKHVSA-N 1 0 278.396 2.394 10 0 CEAERO COc1ccc([C@H](O)C[NH2+][C@@H](C)CN2CCCCC2)cc1 ZINC000049501293 525377590 /nfs/dbraw/zinc/37/75/90/525377590.db2.gz QPZNRUSOPVXZDC-WMLDXEAASA-N 1 0 292.423 2.193 10 0 CEAERO Cc1cc([C@@H](C)NC(=O)c2cc[nH+]c(NN)c2)c(C)o1 ZINC000051119349 525460909 /nfs/dbraw/zinc/46/09/09/525460909.db2.gz WPOXIGWSEJBKQU-SECBINFHSA-N 1 0 274.324 2.068 10 0 CEAERO Cc1ccc(O[C@H](C)C[C@](C)([NH2+]C(C)C)C(N)=O)cc1 ZINC000068653541 525470791 /nfs/dbraw/zinc/47/07/91/525470791.db2.gz NVUAGEMFTDEQGO-CJNGLKHVSA-N 1 0 278.396 2.394 10 0 CEAERO C[C@@H]([NH2+]CCn1cnc2cc(F)c(F)cc21)[C@H]1CCCO1 ZINC000053530848 525470987 /nfs/dbraw/zinc/47/09/87/525470987.db2.gz GUTVQNHFIICZKC-MEBBXXQBSA-N 1 0 295.333 2.472 10 0 CEAERO Cc1cc([C@@H](C[NH3+])N2C[C@@H](C)O[C@@H](C)C2)ccc1F ZINC000050545817 525482052 /nfs/dbraw/zinc/48/20/52/525482052.db2.gz LBKLBLKGKJCTPE-TYNCELHUSA-N 1 0 266.360 2.243 10 0 CEAERO CSCC[NH2+][C@@H]1CC(=O)N(C)c2ccccc21 ZINC000069427529 525513613 /nfs/dbraw/zinc/51/36/13/525513613.db2.gz HGIIANFVQOBDKX-LLVKDONJSA-N 1 0 250.367 2.047 10 0 CEAERO C[C@@H]1Cc2ccccc2N1Cc1cccnc1C(N)=[NH2+] ZINC000061657784 525534965 /nfs/dbraw/zinc/53/49/65/525534965.db2.gz SBZOJMVVLRXRLC-LLVKDONJSA-N 1 0 266.348 2.317 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCCS(=O)(=O)C1)c1ccc(F)c(F)c1 ZINC000069135874 525557701 /nfs/dbraw/zinc/55/77/01/525557701.db2.gz LKGMVSYOMBXDQO-GXSJLCMTSA-N 1 0 289.347 2.193 10 0 CEAERO CSC[C@@H](C)C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000069448027 525622023 /nfs/dbraw/zinc/62/20/23/525622023.db2.gz KDMKSIWFCNVUOZ-GXFFZTMASA-N 1 0 257.374 2.448 10 0 CEAERO Cc1ccc(SC[C@@]([NH2+]C2CC2)(C(N)=O)C2CC2)cc1 ZINC000069186130 525662525 /nfs/dbraw/zinc/66/25/25/525662525.db2.gz NBUKQBGTEVYJOV-INIZCTEOSA-N 1 0 290.432 2.473 10 0 CEAERO C[C@@H]([NH2+][C@H]1CCCS(=O)(=O)C1)c1ccc(F)cc1 ZINC000069135325 525679040 /nfs/dbraw/zinc/67/90/40/525679040.db2.gz AQNZNNQLDUHEBA-MFKMUULPSA-N 1 0 271.357 2.054 10 0 CEAERO CSC[C@H](C)C[NH2+]CC(=O)Nc1c(F)cccc1F ZINC000069448132 525681647 /nfs/dbraw/zinc/68/16/47/525681647.db2.gz CVHKGLYPNGKYML-SECBINFHSA-N 1 0 288.363 2.492 10 0 CEAERO CSC[C@H](C)C[NH2+][C@H]1COc2cc(O)ccc21 ZINC000069435927 525682784 /nfs/dbraw/zinc/68/27/84/525682784.db2.gz LCWQAPNGERIVAL-SKDRFNHKSA-N 1 0 253.367 2.414 10 0 CEAERO C[C@@]([NH3+])(C(=O)N(CC(F)(F)F)C1CC1)c1ccccc1 ZINC000052882948 525743877 /nfs/dbraw/zinc/74/38/77/525743877.db2.gz NRRZNVMSAMVQNC-ZDUSSCGKSA-N 1 0 286.297 2.414 10 0 CEAERO C[C@@]1(C(=O)Nc2cc3c(cc2Cl)OCO3)CC[NH2+]C1 ZINC000062892277 525807589 /nfs/dbraw/zinc/80/75/89/525807589.db2.gz OQLYDILDFNAARR-CYBMUJFWSA-N 1 0 282.727 2.007 10 0 CEAERO Cc1c(N)cc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1F ZINC000049551061 525818140 /nfs/dbraw/zinc/81/81/40/525818140.db2.gz HKXZFNAGCUJFPW-ZDUSSCGKSA-N 1 0 295.402 2.422 10 0 CEAERO C[C@@]1(c2ccccc2)C[N@H+](CCCn2ccnc2)CCN1 ZINC000068693764 525901543 /nfs/dbraw/zinc/90/15/43/525901543.db2.gz ZXDAPWULPPZUEJ-KRWDZBQOSA-N 1 0 284.407 2.094 10 0 CEAERO C[C@H](Oc1cccc2c1CC[C@@H]2[NH3+])C(=O)NC1CCCC1 ZINC000062798666 525951404 /nfs/dbraw/zinc/95/14/04/525951404.db2.gz KWSUUMHIBLXPOK-NHYWBVRUSA-N 1 0 288.391 2.459 10 0 CEAERO Cc1ccc([C@H](C)n2nnnc2C[NH2+]C(C)C)s1 ZINC000054748120 525952054 /nfs/dbraw/zinc/95/20/54/525952054.db2.gz HGEVKWVAQVTRDU-JTQLQIEISA-N 1 0 265.386 2.150 10 0 CEAERO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000062894860 526056916 /nfs/dbraw/zinc/05/69/16/526056916.db2.gz JCZZDYLMXKYWFX-BMIGLBTASA-N 1 0 282.334 2.484 10 0 CEAERO C[C@H](c1ccc(F)cc1)N(C)C(=O)[C@@H](C)C1C[NH2+]C1 ZINC000164178112 526059489 /nfs/dbraw/zinc/05/94/89/526059489.db2.gz RSZJAFNPNQOIMS-WDEREUQCSA-N 1 0 264.344 2.201 10 0 CEAERO Cc1ccc(C(=O)N(C)Cc2cccc(C[NH3+])c2)c(C)n1 ZINC000055329940 526060322 /nfs/dbraw/zinc/06/03/22/526060322.db2.gz JHALGSIXOINKOV-UHFFFAOYSA-N 1 0 283.375 2.429 10 0 CEAERO Cc1cc(-c2nnc(CN3[C@@H](C)C[NH2+]C[C@@H]3C)o2)c(C)o1 ZINC000069134359 526061225 /nfs/dbraw/zinc/06/12/25/526061225.db2.gz SHTJROGQUYTXAR-UWVGGRQHSA-N 1 0 290.367 2.129 10 0 CEAERO CSc1ccc([C@@H](C[NH3+])N(C)Cc2cnn(C)c2)cc1 ZINC000048971841 526063209 /nfs/dbraw/zinc/06/32/09/526063209.db2.gz UYDVTMFGQGBUFK-OAHLLOKOSA-N 1 0 290.436 2.274 10 0 CEAERO Cc1ccc(C(=O)N2[C@@H](C)CCC[C@H]2C[NH3+])s1 ZINC000070152115 526141871 /nfs/dbraw/zinc/14/18/71/526141871.db2.gz HMLOBPAOGUZFID-ONGXEEELSA-N 1 0 252.383 2.398 10 0 CEAERO C[C@@H](c1nncn1C)n1ccc2c1CC(C)(C)C[C@H]2[NH3+] ZINC000050422291 526185530 /nfs/dbraw/zinc/18/55/30/526185530.db2.gz OFOOOVDWWJGFTR-CMPLNLGQSA-N 1 0 273.384 2.198 10 0 CEAERO COc1cccc(O[C@H](C)C[C@](C)([NH2+]C(C)C)C(N)=O)c1 ZINC000068655591 526240487 /nfs/dbraw/zinc/24/04/87/526240487.db2.gz LMXFFIPUQPCVLD-WBMJQRKESA-N 1 0 294.395 2.095 10 0 CEAERO Cc1ccc2n1CCN(C(=O)CCC1CC[NH2+]CC1)[C@@H]2C ZINC000050945901 526240575 /nfs/dbraw/zinc/24/05/75/526240575.db2.gz ZZRCIJGBOLECKU-CQSZACIVSA-N 1 0 289.423 2.480 10 0 CEAERO Cc1ccc(C(N)=O)c(N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000063190698 526252303 /nfs/dbraw/zinc/25/23/03/526252303.db2.gz HUVCRHLSLCTJMV-LSDHHAIUSA-N 1 0 287.407 2.205 10 0 CEAERO O[C@H](C[NH2+]C1CC1)c1ccc(Br)cc1F ZINC000055029286 526276310 /nfs/dbraw/zinc/27/63/10/526276310.db2.gz ODEATQIEEQEXDR-LLVKDONJSA-N 1 0 274.133 2.374 10 0 CEAERO Cc1nn(CCOCC(F)(F)F)c(C)c1[C@@H](C)[NH3+] ZINC000054716539 526281396 /nfs/dbraw/zinc/28/13/96/526281396.db2.gz FWWXJJIPBBSFFF-SSDOTTSWSA-N 1 0 265.279 2.099 10 0 CEAERO Cc1nn([C@@H](c2ccccn2)[C@@H](C)[NH3+])c(C)c1Cl ZINC000050586147 526302821 /nfs/dbraw/zinc/30/28/21/526302821.db2.gz FZRRZDOUBAPZQN-AMIZOPFISA-N 1 0 264.760 2.485 10 0 CEAERO Cc1nn([C@H](C)C[C@@](C)([NH2+]C2CC2)C(N)=O)c(C)c1Cl ZINC000068649814 526306488 /nfs/dbraw/zinc/30/64/88/526306488.db2.gz XZIACOKJQIOCPO-XLKFXECMSA-N 1 0 298.818 2.100 10 0 CEAERO O=C([O-])[C@H]1CCC[C@H]1[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000062753255 526325140 /nfs/dbraw/zinc/32/51/40/526325140.db2.gz OVEAGUBHBIESJN-LSDHHAIUSA-N 1 0 280.412 2.190 10 0 CEAERO O=C(CCC1CC[NH2+]CC1)N1CCC[C@@H]1c1ccc[nH]1 ZINC000050947428 526410116 /nfs/dbraw/zinc/41/01/16/526410116.db2.gz XGQXFZMGOUPRNL-OAHLLOKOSA-N 1 0 275.396 2.458 10 0 CEAERO c1ccc(C[C@H]2C[NH2+]CCN2Cc2ccncc2)cc1 ZINC000068696749 526476982 /nfs/dbraw/zinc/47/69/82/526476982.db2.gz NQMPVKSEFBAMOP-KRWDZBQOSA-N 1 0 267.376 2.098 10 0 CEAERO O=C(CC[N@H+]1CC[C@@H](O)C1)c1cccc(Br)c1 ZINC000061711718 526493059 /nfs/dbraw/zinc/49/30/59/526493059.db2.gz MYMSGKMVJDKNLU-GFCCVEGCSA-N 1 0 298.180 2.089 10 0 CEAERO O=C(CC[NH2+][C@@H]1CCCc2ccccc21)NC1CC1 ZINC000054049614 526515263 /nfs/dbraw/zinc/51/52/63/526515263.db2.gz SEJZKNUMODALKO-OAHLLOKOSA-N 1 0 258.365 2.322 10 0 CEAERO Cc1nnc(Sc2ccc(C[NH3+])cc2Cl)[nH]1 ZINC000062793406 526533997 /nfs/dbraw/zinc/53/39/97/526533997.db2.gz CIKPEZPLPKPBRQ-UHFFFAOYSA-N 1 0 254.746 2.376 10 0 CEAERO c1cnc2c(c1)cccc2CN1CC[NH2+]C[C@H]1C1CC1 ZINC000068695899 526542870 /nfs/dbraw/zinc/54/28/70/526542870.db2.gz XKGPLFSPQSTDDF-INIZCTEOSA-N 1 0 267.376 2.419 10 0 CEAERO O=C(CC[C@@H]1CCCC[NH2+]1)NCCc1ccccc1 ZINC000050939879 526547072 /nfs/dbraw/zinc/54/70/72/526547072.db2.gz KIESMUGBZZQDSL-HNNXBMFYSA-N 1 0 260.381 2.268 10 0 CEAERO O=C(CC[C@H]1CCCC[NH2+]1)OC[C@H]1CCCCO1 ZINC000050928560 526565286 /nfs/dbraw/zinc/56/52/86/526565286.db2.gz CHWXAWQQDSGROJ-CHWSQXEVSA-N 1 0 255.358 2.021 10 0 CEAERO Cc1oc(C[NH2+]C(C)(C)C)cc1CN1CCOCC1 ZINC000052377978 526775027 /nfs/dbraw/zinc/77/50/27/526775027.db2.gz IDVKQHOBHYVVCM-UHFFFAOYSA-N 1 0 266.385 2.308 10 0 CEAERO NC(=[NH2+])c1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000052860290 526820488 /nfs/dbraw/zinc/82/04/88/526820488.db2.gz PWXIAHCOYKVHTO-VIFPVBQESA-N 1 0 254.717 2.182 10 0 CEAERO NC(=[NH2+])c1ccc(Cl)cc1Sc1nnnn1C1CC1 ZINC000062789223 526823513 /nfs/dbraw/zinc/82/35/13/526823513.db2.gz QGHGGSBYTWNCTE-UHFFFAOYSA-N 1 0 294.771 2.097 10 0 CEAERO O=C(N[C@@H]1CCCC[NH2+]C1)c1cccc(OC(F)F)c1 ZINC000070120267 526884848 /nfs/dbraw/zinc/88/48/48/526884848.db2.gz FUWQASZKTLKVLH-LLVKDONJSA-N 1 0 284.306 2.160 10 0 CEAERO Cc1nc(CNC[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cs1 ZINC000049539058 526888114 /nfs/dbraw/zinc/88/81/14/526888114.db2.gz BEUYZHZWYQXNPJ-DYEKYZERSA-N 1 0 265.426 2.462 10 0 CEAERO O=C(COCC[C@@H]1CCC[NH2+]C1)Nc1ccc(F)cc1 ZINC000051917752 526931456 /nfs/dbraw/zinc/93/14/56/526931456.db2.gz XHGYWLHEQNHQJA-LBPRGKRZSA-N 1 0 280.343 2.171 10 0 CEAERO NC(=O)[C@H](CC[NH+]1CCC2(CCCCC2)CC1)NC1CC1 ZINC000062532839 526993080 /nfs/dbraw/zinc/99/30/80/526993080.db2.gz YVYKUXJGSOOMMT-HNNXBMFYSA-N 1 0 293.455 2.029 10 0 CEAERO O=C1CCc2ccccc2N1CCC[C@H]1CCC[NH2+]1 ZINC000052764823 526999560 /nfs/dbraw/zinc/99/95/60/526999560.db2.gz CVWJISLQOUJQIX-CQSZACIVSA-N 1 0 258.365 2.498 10 0 CEAERO NC(=S)C[C@@H](c1ccccc1)[NH+]1CCN(C2CC2)CC1 ZINC000055025077 527108592 /nfs/dbraw/zinc/10/85/92/527108592.db2.gz LRVQCDLVONCPSE-HNNXBMFYSA-N 1 0 289.448 2.184 10 0 CEAERO NC(=S)c1ccccc1C[N@@H+]1CCC[C@@H]1CCCO ZINC000052759773 527121009 /nfs/dbraw/zinc/12/10/09/527121009.db2.gz GCNPZTWYVWINDA-CYBMUJFWSA-N 1 0 278.421 2.058 10 0 CEAERO [NH3+]C1(C(=O)OCCc2cccs2)CCCCC1 ZINC000049585009 527129108 /nfs/dbraw/zinc/12/91/08/527129108.db2.gz PRAAZAKRJJSDFH-UHFFFAOYSA-N 1 0 253.367 2.495 10 0 CEAERO O=C(C[C@H]1CCCC[NH2+]1)N[C@H]1CCOc2ccccc21 ZINC000051987953 527160660 /nfs/dbraw/zinc/16/06/60/527160660.db2.gz LTRNQUYRJOSZHN-OCCSQVGLSA-N 1 0 274.364 2.159 10 0 CEAERO [NH3+]CC1CCC(C(=O)NCCC2CCCC2)CC1 ZINC000055148117 527164712 /nfs/dbraw/zinc/16/47/12/527164712.db2.gz FNHHCQDGZWEHES-UHFFFAOYSA-N 1 0 252.402 2.448 10 0 CEAERO [NH3+]CCCN(C(=O)CC[C@H]1CCCCO1)C1CCCC1 ZINC000069383350 527177294 /nfs/dbraw/zinc/17/72/94/527177294.db2.gz CNYUOJCEOIXIJZ-OAHLLOKOSA-N 1 0 282.428 2.456 10 0 CEAERO [NH3+]CCCN(C(=O)C1(c2ccccc2)CC1)C1CC1 ZINC000061617515 527177382 /nfs/dbraw/zinc/17/73/82/527177382.db2.gz UXNCVPJBNYFKJY-UHFFFAOYSA-N 1 0 258.365 2.058 10 0 CEAERO O=C(Nc1ccc(Cl)cn1)[C@@H]1CC12CC[NH2+]CC2 ZINC000070252199 527187007 /nfs/dbraw/zinc/18/70/07/527187007.db2.gz CFNGGRSUBNTCPJ-JTQLQIEISA-N 1 0 265.744 2.063 10 0 CEAERO NC(=O)c1ccccc1N1C[C@H](CC[NH3+])c2ccccc21 ZINC000063129565 527195238 /nfs/dbraw/zinc/19/52/38/527195238.db2.gz QAEVROIUAGBLRB-LBPRGKRZSA-N 1 0 281.359 2.370 10 0 CEAERO [NH3+]CCc1ccc(CNC(=O)c2cccs2)cc1 ZINC000052898930 527196332 /nfs/dbraw/zinc/19/63/32/527196332.db2.gz XMGGWXZPDKUTCX-UHFFFAOYSA-N 1 0 260.362 2.179 10 0 CEAERO [NH3+]CCc1ccc(CNC(=O)c2ccsc2)cc1 ZINC000052898951 527196909 /nfs/dbraw/zinc/19/69/09/527196909.db2.gz ZDTVVVORLBSFBE-UHFFFAOYSA-N 1 0 260.362 2.179 10 0 CEAERO [NH3+]CCc1nccn1Cc1ccc(OC(F)(F)F)cc1 ZINC000052304156 527198493 /nfs/dbraw/zinc/19/84/93/527198493.db2.gz MIYJVPCQRVDZKF-UHFFFAOYSA-N 1 0 285.269 2.331 10 0 CEAERO [NH3+]C[C@@H](Sc1ncnc2[nH]cnc21)c1cccs1 ZINC000051036103 527206608 /nfs/dbraw/zinc/20/66/08/527206608.db2.gz NJUBJRMQBRKZCX-MRVPVSSYSA-N 1 0 277.378 2.207 10 0 CEAERO [NH3+]C[C@@H](c1ccc(F)cc1)N1CCC[C@@H]1CCCO ZINC000052757558 527207815 /nfs/dbraw/zinc/20/78/15/527207815.db2.gz PVGYVGXZGSTLNG-CABCVRRESA-N 1 0 266.360 2.062 10 0 CEAERO [NH3+]C[C@@H]1CC[C@@H](Cn2cc(-c3ccccc3)cn2)O1 ZINC000054962058 527217467 /nfs/dbraw/zinc/21/74/67/527217467.db2.gz DVJGLKFZFGIGLD-GJZGRUSLSA-N 1 0 257.337 2.056 10 0 CEAERO [NH3+]C[C@@]1(Cc2ccc(F)cc2Br)CCOC1 ZINC000054637602 527222090 /nfs/dbraw/zinc/22/20/90/527222090.db2.gz PECSXHRWGQEGJN-LBPRGKRZSA-N 1 0 288.160 2.496 10 0 CEAERO [NH3+]C[C@H](c1cc2ccccc2o1)N1CCn2ccnc2C1 ZINC000068811982 527230299 /nfs/dbraw/zinc/23/02/99/527230299.db2.gz XRRGSOTTXZBQKL-CYBMUJFWSA-N 1 0 282.347 2.145 10 0 CEAERO [NH3+]C[C@H]1Cc2ccccc2CN1c1ncccc1F ZINC000054701266 527242346 /nfs/dbraw/zinc/24/23/46/527242346.db2.gz HHGZKZLZHYSIHZ-CYBMUJFWSA-N 1 0 257.312 2.111 10 0 CEAERO [NH3+]Cc1cc(Cn2ccnc2-c2ccccc2)ccn1 ZINC000068751009 527249064 /nfs/dbraw/zinc/24/90/64/527249064.db2.gz CMOOCRZSQJBVRT-UHFFFAOYSA-N 1 0 264.332 2.452 10 0 CEAERO [NH3+]Cc1cccc(CNC(=O)c2cccc(F)c2F)c1 ZINC000054187434 527259381 /nfs/dbraw/zinc/25/93/81/527259381.db2.gz USCVQUFERBMBIZ-UHFFFAOYSA-N 1 0 276.286 2.354 10 0 CEAERO [NH3+]Cc1ccnc(-c2cccc(Br)c2)n1 ZINC000054791095 527261084 /nfs/dbraw/zinc/26/10/84/527261084.db2.gz FSETZCPLFHZAML-UHFFFAOYSA-N 1 0 264.126 2.365 10 0 CEAERO [NH3+]Cc1cn(-c2cc(Br)ccc2Cl)nn1 ZINC000061692450 527262064 /nfs/dbraw/zinc/26/20/64/527262064.db2.gz OHWQENSNGLYKNH-UHFFFAOYSA-N 1 0 287.548 2.142 10 0 CEAERO [NH3+]Cc1cnn([C@@H]2CCCC[C@H]2O)c1-c1ccccc1 ZINC000054600019 527263973 /nfs/dbraw/zinc/26/39/73/527263973.db2.gz SBTUPMCGHIIBMH-HUUCEWRRSA-N 1 0 271.364 2.485 10 0 CEAERO [NH3+]Cc1sc(N2CCCSCC2)nc1C1CC1 ZINC000069181716 527268506 /nfs/dbraw/zinc/26/85/06/527268506.db2.gz YDWZZTJKUDRDOU-UHFFFAOYSA-N 1 0 269.439 2.423 10 0 CEAERO Cc1ncc(CNC[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)s1 ZINC000049538892 527270163 /nfs/dbraw/zinc/27/01/63/527270163.db2.gz YWAGBLRRUAMIKH-OBJOEFQTSA-N 1 0 265.426 2.462 10 0 CEAERO NNc1cc(C(=O)N2CCC[C@@H]2C2CCCC2)cc[nH+]1 ZINC000051113228 527271201 /nfs/dbraw/zinc/27/12/01/527271201.db2.gz XOMMSHQDBJSNMM-CYBMUJFWSA-N 1 0 274.368 2.162 10 0 CEAERO NNc1cc(C(=O)Nc2nc3ccccc3s2)cc[nH+]1 ZINC000051092499 527273990 /nfs/dbraw/zinc/27/39/90/527273990.db2.gz FRZFZKCHZUYBFH-UHFFFAOYSA-N 1 0 285.332 2.229 10 0 CEAERO NNc1[nH+]cc(C(=O)NCCc2cccs2)cc1Cl ZINC000051096611 527287102 /nfs/dbraw/zinc/28/71/02/527287102.db2.gz WKRMPKRSQCLSIN-UHFFFAOYSA-N 1 0 296.783 2.055 10 0 CEAERO O=C(Cc1ccccc1Cl)N[C@@H]1CCCC[NH2+]C1 ZINC000070120302 527287384 /nfs/dbraw/zinc/28/73/84/527287384.db2.gz SDPKEOIYFMATLA-GFCCVEGCSA-N 1 0 266.772 2.141 10 0 CEAERO Cn1cc(SCc2[nH+]c(NN)ccc2Cl)cn1 ZINC000061640249 527292138 /nfs/dbraw/zinc/29/21/38/527292138.db2.gz KWWMWGZYUQHUAA-UHFFFAOYSA-N 1 0 269.761 2.046 10 0 CEAERO [NH3+][C@@H]1CCCc2cc(OC[C@@H](O)C(F)(F)F)ccc21 ZINC000068877264 527361805 /nfs/dbraw/zinc/36/18/05/527361805.db2.gz ASWNOZIVKUBAEE-VXGBXAGGSA-N 1 0 275.270 2.325 10 0 CEAERO [NH3+][C@H](CC[C@@H]1CCCCO1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000069388869 527385780 /nfs/dbraw/zinc/38/57/80/527385780.db2.gz WXMAARULDXKYOH-NWDGAFQWSA-N 1 0 275.352 2.205 10 0 CEAERO [NH3+][C@H](Cc1ccncc1)c1ccc2c(c1)OCCCO2 ZINC000055229109 527390229 /nfs/dbraw/zinc/39/02/29/527390229.db2.gz UQMDMXHJMVRPAD-CQSZACIVSA-N 1 0 270.332 2.485 10 0 CEAERO [NH3+][C@H]1CCCCC[C@H]1NC(=O)Cc1noc2ccccc12 ZINC000063211197 527395400 /nfs/dbraw/zinc/39/54/00/527395400.db2.gz UQTCWWUBFMUYPR-QWHCGFSZSA-N 1 0 287.363 2.147 10 0 CEAERO Cn1nccc1[C@H]([NH3+])Cc1c(F)cccc1Cl ZINC000069467939 527628510 /nfs/dbraw/zinc/62/85/10/527628510.db2.gz ILMZXHZIUXPTBQ-LLVKDONJSA-N 1 0 253.708 2.455 10 0 CEAERO O[C@@H](C[NH2+]C1CCC1)COc1cccc(Cl)c1 ZINC000052209641 527651873 /nfs/dbraw/zinc/65/18/73/527651873.db2.gz BIISKGBPWZEMJZ-LBPRGKRZSA-N 1 0 255.745 2.222 10 0 CEAERO CCOC(=O)C1CCC(O)(C[N@@H+]2CC[C@H](C)[C@@H]2C)CC1 ZINC000190925496 528629268 /nfs/dbraw/zinc/62/92/68/528629268.db2.gz FCZRAIMXNOQWTB-ILGZHXLLSA-N 1 0 283.412 2.201 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)CCc2ccc(F)cc2F)C1 ZINC000178535883 529086847 /nfs/dbraw/zinc/08/68/47/529086847.db2.gz XMDYBQTXAXWNDY-AWEZNQCLSA-N 1 0 296.361 2.498 10 0 CEAERO CCC([NH3+])(CC)C(=O)N1CCCc2cc(OC)ccc21 ZINC000094245165 535182691 /nfs/dbraw/zinc/18/26/91/535182691.db2.gz QJIBELTYQKJJHM-UHFFFAOYSA-N 1 0 276.380 2.492 10 0 CEAERO CCC[NH2+][C@](C)(CCN1CCCc2ccccc21)C(N)=O ZINC000045231015 535192867 /nfs/dbraw/zinc/19/28/67/535192867.db2.gz YJCDMAOZHSQXFF-QGZVFWFLSA-N 1 0 289.423 2.073 10 0 CEAERO COc1cccc2c1N(C(=O)[C@@H]1CCCC[C@H]1[NH3+])CCC2 ZINC000085369550 536958673 /nfs/dbraw/zinc/95/86/73/536958673.db2.gz MJEMVNJSIGRPRA-ZIAGYGMSSA-N 1 0 288.391 2.492 10 0 CEAERO Cc1ncsc1[C@H]1C[NH2+]C[C@H]1C(=O)OC(C)(C)C ZINC000757191324 574511991 /nfs/dbraw/zinc/51/19/91/574511991.db2.gz UHOZQSWWLWMBTI-VHSXEESVSA-N 1 0 268.382 2.096 10 0 CEAERO C[C@H]1CC[C@H]([NH2+]C[C@@H](O)COCc2ccco2)CC1 ZINC000253136176 574508963 /nfs/dbraw/zinc/50/89/63/574508963.db2.gz SABWNXQYDSXBKL-MGPQQGTHSA-N 1 0 267.369 2.325 10 0 CEAERO CC1(C)C[NH2+]C2(CCSCC2)O[C@]12CCCOC2 ZINC000757145853 574510367 /nfs/dbraw/zinc/51/03/67/574510367.db2.gz PMVTVKNLTUHREL-ZDUSSCGKSA-N 1 0 271.426 2.405 10 0 CEAERO C[NH2+]CCOCCSc1cncc(C2CC2)c1 ZINC000757215719 574513058 /nfs/dbraw/zinc/51/30/58/574513058.db2.gz XGFNUNRJPIVWID-UHFFFAOYSA-N 1 0 252.383 2.287 10 0 CEAERO CCOC(=O)CCc1nc(C2([NH3+])CCCCCCC2)no1 ZINC000757182764 574511468 /nfs/dbraw/zinc/51/14/68/574511468.db2.gz KXBYRUJPNQPIIL-UHFFFAOYSA-N 1 0 295.383 2.464 10 0 CEAERO C[C@@H]1C[C@H](C)C[C@@]([NH3+])(CNC(=O)NC(C)(C)C)C1 ZINC000725255360 567915027 /nfs/dbraw/zinc/91/50/27/567915027.db2.gz ZWDQXRNMRNDSCA-GNXNZQSNSA-N 1 0 255.406 2.238 10 0 CEAERO CC(C)(C)OC(=O)N1CC(c2cnsc2)=C[C@@H]([NH3+])C1 ZINC000675077786 567956116 /nfs/dbraw/zinc/95/61/16/567956116.db2.gz ISCVVXIILVLQOZ-LLVKDONJSA-N 1 0 281.381 2.105 10 0 CEAERO C[NH2+]CCc1noc(-c2ccc(OC(F)F)cc2)n1 ZINC000051850686 625553728 /nfs/dbraw/zinc/55/37/28/625553728.db2.gz ANWNPFQRDRDOSX-UHFFFAOYSA-N 1 0 269.251 2.100 10 0 CEAERO COC(=O)[C@@H]1C[N@H+](C[C@H]2CCC(F)(F)C2)C[C@@H]1C ZINC000306057093 622862961 /nfs/dbraw/zinc/86/29/61/622862961.db2.gz XVYBEYFDGBHUEW-GARJFASQSA-N 1 0 261.312 2.163 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cn1nccc1-c1cccnc1 ZINC000177160654 625621299 /nfs/dbraw/zinc/62/12/99/625621299.db2.gz MVYJPEDBLYRVEG-MRXNPFEDSA-N 1 0 299.422 2.319 10 0 CEAERO CCc1cc2c(ncnc2N2CC[C@H](C[NH3+])C2)s1 ZINC000050249879 623373905 /nfs/dbraw/zinc/37/39/05/623373905.db2.gz MODKBBAPZKFDGU-SECBINFHSA-N 1 0 262.382 2.039 10 0 CEAERO C[NH2+]CCC1CCN(c2nnc(C(F)F)s2)CC1 ZINC000261584939 623400875 /nfs/dbraw/zinc/40/08/75/623400875.db2.gz SRRDBJITRZLASW-UHFFFAOYSA-N 1 0 276.356 2.302 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(Cc3nc4ccccc4s3)C[C@H]12 ZINC000261670011 623428100 /nfs/dbraw/zinc/42/81/00/623428100.db2.gz ZZINYJUPGGCXQX-GRYCIOLGSA-N 1 0 273.405 2.465 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)c1ccccc1NC(=O)C(C)(C)C ZINC000261671695 623428472 /nfs/dbraw/zinc/42/84/72/623428472.db2.gz GTCJMKLMJCQUQA-LLVKDONJSA-N 1 0 291.395 2.009 10 0 CEAERO Cc1ccc(NC(=O)C2CC([NH3+])C2)cc1Br ZINC000258773127 624187032 /nfs/dbraw/zinc/18/70/32/624187032.db2.gz QADWDQFFERHXNF-UHFFFAOYSA-N 1 0 283.169 2.433 10 0 CEAERO CS(=O)(=O)c1ccccc1NCCCCCC[NH3+] ZINC000235056992 624570431 /nfs/dbraw/zinc/57/04/31/624570431.db2.gz LUUYAEDKFMMMPL-UHFFFAOYSA-N 1 0 270.398 2.021 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@H]1Cc1ccccc1 ZINC000235282670 625216491 /nfs/dbraw/zinc/21/64/91/625216491.db2.gz YZPXNCXURBORRG-VNQPRFMTSA-N 1 0 272.392 2.076 10 0 CEAERO Cc1ccnc(NC[C@@H]2CC[NH2+]C2)c1Br ZINC000235935626 625795214 /nfs/dbraw/zinc/79/52/14/625795214.db2.gz PKINYBFPJFHSKY-SECBINFHSA-N 1 0 270.174 2.174 10 0 CEAERO COC[C@@H](N)c1nc(C(C2CCC2)C2CCC2)no1 ZINC000311570531 627679784 /nfs/dbraw/zinc/67/97/84/627679784.db2.gz FQIRIBOIWSYTME-LLVKDONJSA-N 1 0 265.357 2.400 10 0 CEAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NCc1cn(C)cn1 ZINC000309750645 627818891 /nfs/dbraw/zinc/81/88/91/627818891.db2.gz ZFVRTWXLYHGTEY-AWEZNQCLSA-N 1 0 272.396 2.030 10 0 CEAERO CC1=C[C@H](C)C[C@@H](C[NH2+][C@@H]2CCCN(CCO)C2)C1 ZINC000395245663 628007659 /nfs/dbraw/zinc/00/76/59/628007659.db2.gz REXPAMLICGHMLK-NUEKZKHPSA-N 1 0 266.429 2.025 10 0 CEAERO CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)/C=C\c1ccccc1 ZINC000312148014 628139690 /nfs/dbraw/zinc/13/96/90/628139690.db2.gz DTZYNIXGPHNPTG-KVPUOBJLSA-N 1 0 296.436 2.340 10 0 CEAERO C[C@H](C[NH2+][C@@H]1CCO[C@H]1C)N(C)C(=O)OC(C)(C)C ZINC000309934328 628169942 /nfs/dbraw/zinc/16/99/42/628169942.db2.gz AUVVGBOCQBHQRK-GRYCIOLGSA-N 1 0 272.389 2.009 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cccc(Cl)n2)C1 ZINC000183830644 628192599 /nfs/dbraw/zinc/19/25/99/628192599.db2.gz LNYKDSBHCPCHRU-JTQLQIEISA-N 1 0 282.775 2.341 10 0 CEAERO O[C@@H]1CCC[C@H]([NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000396328010 628207532 /nfs/dbraw/zinc/20/75/32/628207532.db2.gz WDGFWKPPFMDGMS-LVFLEHKBSA-N 1 0 281.318 2.116 10 0 CEAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NCc1cnccn1 ZINC000309875514 628223480 /nfs/dbraw/zinc/22/34/80/628223480.db2.gz HYTNYMNTRSUOHS-AWEZNQCLSA-N 1 0 270.380 2.087 10 0 CEAERO Cc1sc2ncnc(N3CCC[C@H]3C[NH3+])c2c1C ZINC000053663320 628488321 /nfs/dbraw/zinc/48/83/21/628488321.db2.gz OCMUHLXAHDHNMD-JTQLQIEISA-N 1 0 262.382 2.236 10 0 CEAERO Cc1sc2ncnc(N3CC[C@@H]([NH3+])[C@H](C)C3)c2c1C ZINC000094342397 628538511 /nfs/dbraw/zinc/53/85/11/628538511.db2.gz GMWMGIBHHRUDQS-LDYMZIIASA-N 1 0 276.409 2.482 10 0 CEAERO Fc1ccc(Cc2noc(CC[C@H]3CCC[NH2+]3)n2)cc1 ZINC000312802410 628539249 /nfs/dbraw/zinc/53/92/49/628539249.db2.gz KOLIRMGPJRSAQZ-CYBMUJFWSA-N 1 0 275.327 2.484 10 0 CEAERO [NH3+]C1CC(CNC(=O)c2cccc(OC(F)(F)F)c2)C1 ZINC000312939043 628564565 /nfs/dbraw/zinc/56/45/65/628564565.db2.gz HHKOFZDYDRQCOH-UHFFFAOYSA-N 1 0 288.269 2.052 10 0 CEAERO CN(C)C[C@@H]([NH2+][C@@H]1COCC1(C)C)c1ccccc1 ZINC000313089814 628579604 /nfs/dbraw/zinc/57/96/04/628579604.db2.gz SNDQBVWOVPZLOE-HUUCEWRRSA-N 1 0 262.397 2.304 10 0 CEAERO C[C@@H]([NH3+])[C@@H]1CCCN(c2ncc(Cl)cc2F)C1 ZINC000094052567 628750344 /nfs/dbraw/zinc/75/03/44/628750344.db2.gz YKKVXYTVZCPZBA-RKDXNWHRSA-N 1 0 257.740 2.438 10 0 CEAERO C[C@@H](CC[NH2+]C1CCN(CCO)CC1)c1ccccc1 ZINC000399082518 628774116 /nfs/dbraw/zinc/77/41/16/628774116.db2.gz QBBSBOJGPZJBGG-HNNXBMFYSA-N 1 0 276.424 2.227 10 0 CEAERO COC(=O)[C@H]1C[N@H+](Cc2cccc(F)c2)C[C@H]1C ZINC000094996999 628888597 /nfs/dbraw/zinc/88/85/97/628888597.db2.gz IHTYNSKUGZLFBH-MFKMUULPSA-N 1 0 251.301 2.067 10 0 CEAERO Cc1ccnc(N2C[C@H](C[NH3+])C[C@H]2C)c1Br ZINC000261533382 628935917 /nfs/dbraw/zinc/93/59/17/628935917.db2.gz HQACTOKQJJDKCA-ZJUUUORDSA-N 1 0 284.201 2.326 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1ccc(Br)s1 ZINC000261537046 628936687 /nfs/dbraw/zinc/93/66/87/628936687.db2.gz URFCTKBFEGVYTA-NKWVEPMBSA-N 1 0 289.198 2.072 10 0 CEAERO Cc1sc2nc(C)nc(N3CC[C@@H](C[NH3+])C3)c2c1C ZINC000261587239 628941600 /nfs/dbraw/zinc/94/16/00/628941600.db2.gz JKBIJIHBHJATFU-NSHDSACASA-N 1 0 276.409 2.402 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)c1cc(C(C)C)n(C(C)(C)C)n1 ZINC000261859326 629286073 /nfs/dbraw/zinc/28/60/73/629286073.db2.gz YGMGBILAJDGYIV-LLVKDONJSA-N 1 0 280.416 2.099 10 0 CEAERO Cc1nc([C@H](C)NC(=O)CC[C@@H]2CC[NH2+]C2)cs1 ZINC000261883871 629299506 /nfs/dbraw/zinc/29/95/06/629299506.db2.gz SEKVWFBWZAFLAK-GXSJLCMTSA-N 1 0 267.398 2.018 10 0 CEAERO Fc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000261905724 629310078 /nfs/dbraw/zinc/31/00/78/629310078.db2.gz IEJJHBAHDUNSQD-NUEKZKHPSA-N 1 0 278.371 2.072 10 0 CEAERO COC(=O)CCCCCCCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000237141875 629407575 /nfs/dbraw/zinc/40/75/75/629407575.db2.gz RHMGLAFYPIKWGD-ZIAGYGMSSA-N 1 0 298.427 2.134 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1c1nc(-c2cncs2)no1 ZINC000147421008 629586437 /nfs/dbraw/zinc/58/64/37/629586437.db2.gz DJRSFOHPSSDPLO-HTQZYQBOSA-N 1 0 250.327 2.036 10 0 CEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1cc(Cl)ccc1F ZINC000142594553 630000041 /nfs/dbraw/zinc/00/00/41/630000041.db2.gz OQBOAYWPCLMDLJ-GHMZBOCLSA-N 1 0 271.719 2.345 10 0 CEAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2cccc3c2NCCC3)C1 ZINC000163311114 631185882 /nfs/dbraw/zinc/18/58/82/631185882.db2.gz IBNYGKWQMRUNTD-HUUCEWRRSA-N 1 0 260.381 2.438 10 0 CEAERO CC[C@@H](C)[C@H]([NH3+])CS(=O)(=O)N1CCC(C)(CC)CC1 ZINC000757154101 631822818 /nfs/dbraw/zinc/82/28/18/631822818.db2.gz WBJKBGHAPIKVMF-CHWSQXEVSA-N 1 0 290.473 2.202 10 0 CEAERO COc1cccc([C@H]2C[NH2+]C[C@@H]2C(=O)OC(C)(C)C)c1 ZINC000757184124 631830054 /nfs/dbraw/zinc/83/00/54/631830054.db2.gz IWIRQCNWSDNQQO-KGLIPLIRSA-N 1 0 277.364 2.340 10 0 CEAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(F)cc1 ZINC000757185056 631830236 /nfs/dbraw/zinc/83/02/36/631830236.db2.gz PXUGXPRANQWVEY-OLZOCXBDSA-N 1 0 265.328 2.470 10 0 CEAERO CCCc1cncc(SC[C@H]2C[NH2+]CCO2)c1 ZINC000757208432 631836135 /nfs/dbraw/zinc/83/61/35/631836135.db2.gz GPDHYVRBCASBGF-GFCCVEGCSA-N 1 0 252.383 2.115 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]2CN(c3ccc(C(F)(F)F)nn3)C[C@H]21 ZINC000228552911 634309521 /nfs/dbraw/zinc/30/95/21/634309521.db2.gz ZWXOWLSTEFSGGN-OPRDCNLKSA-N 1 0 286.301 2.059 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000165914898 637255346 /nfs/dbraw/zinc/25/53/46/637255346.db2.gz FWALEVDGLMSYOQ-YNEHKIRRSA-N 1 0 294.361 2.418 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1ccc(Cl)nc1 ZINC000149612380 637360663 /nfs/dbraw/zinc/36/06/63/637360663.db2.gz SLKHTZAGPMUMTG-VIFPVBQESA-N 1 0 253.733 2.063 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CSC(C)(C)C)C1 ZINC000155676782 637734878 /nfs/dbraw/zinc/73/48/78/637734878.db2.gz UNXSCQPYUQVHIW-NEPJUHHUSA-N 1 0 272.458 2.363 10 0 CEAERO NC(=O)C[C@@H]([NH3+])c1cccc(OCc2ccccc2)c1 ZINC000044250474 638733336 /nfs/dbraw/zinc/73/33/36/638733336.db2.gz HVGUFHIVNAAOAM-OAHLLOKOSA-N 1 0 270.332 2.141 10 0 CEAERO [NH3+]C[C@H]1CCCN(c2cccc(C(F)(F)F)n2)C1 ZINC000044532224 639322155 /nfs/dbraw/zinc/32/21/55/639322155.db2.gz QJBWLTHCFNJSIR-SECBINFHSA-N 1 0 259.275 2.276 10 0 CEAERO CCO[C@@H]1C[C@H]([N@H+](C)CN2CCOC2=S)C12CCCC2 ZINC000156504042 639361322 /nfs/dbraw/zinc/36/13/22/639361322.db2.gz IXYWEFTWLGOKSA-QWHCGFSZSA-N 1 0 298.452 2.231 10 0 CEAERO Cc1ccc(CCC(=O)N[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000222568600 639383502 /nfs/dbraw/zinc/38/35/02/639383502.db2.gz DHZOMBSZUMVFIT-MRXNPFEDSA-N 1 0 272.392 2.138 10 0 CEAERO [NH3+]C1CC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1 ZINC000168441128 639569869 /nfs/dbraw/zinc/56/98/69/639569869.db2.gz LENBEEQXMVPZHO-QFSHSQKFSA-N 1 0 264.413 2.446 10 0 CEAERO CO[C@@H](c1noc(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1)C1CC1 ZINC000227329787 639584170 /nfs/dbraw/zinc/58/41/70/639584170.db2.gz JVRKSEOGJNZNPR-OOPHUOBASA-N 1 0 277.368 2.240 10 0 CEAERO C[C@@]1(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCC[NH2+]1 ZINC000227489508 639592834 /nfs/dbraw/zinc/59/28/34/639592834.db2.gz AQSCKASNQVYLGN-FOGDFJRCSA-N 1 0 278.318 2.366 10 0 CEAERO Cc1cc(N2CC[C@@H]([C@H](C)[NH3+])C2)ncc1Br ZINC000228899138 639663673 /nfs/dbraw/zinc/66/36/73/639663673.db2.gz IEXCRNDMNVNOGO-VHSXEESVSA-N 1 0 284.201 2.326 10 0 CEAERO CN(CC[NH+]1CCCC1)C[C@H](O)c1cc2ccccc2o1 ZINC000063052894 639821185 /nfs/dbraw/zinc/82/11/85/639821185.db2.gz NYHILPWXACBXJQ-HNNXBMFYSA-N 1 0 288.391 2.494 10 0 CEAERO Fc1ccc(-c2nc(C[C@H]3CCC[NH2+]C3)no2)cc1 ZINC000063084651 639823744 /nfs/dbraw/zinc/82/37/44/639823744.db2.gz CMYZGKCFSJVVQU-SNVBAGLBSA-N 1 0 261.300 2.418 10 0 CEAERO Cc1cnc([C@H](C)NC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)o1 ZINC000231743650 639875771 /nfs/dbraw/zinc/87/57/71/639875771.db2.gz WQHCSIBKLWNLSE-SGMGOOAPSA-N 1 0 287.363 2.496 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@@H]1C(=O)NCCSC(F)(F)F ZINC000231945992 639886594 /nfs/dbraw/zinc/88/65/94/639886594.db2.gz WIJCWMIVSGIWAU-BDAKNGLRSA-N 1 0 284.347 2.121 10 0 CEAERO CC(C)[NH+]1CCC(C(=O)N[C@@H]2COc3ccccc32)CC1 ZINC000174379261 639920926 /nfs/dbraw/zinc/92/09/26/639920926.db2.gz MDTUNFBHMLKGRO-OAHLLOKOSA-N 1 0 288.391 2.357 10 0 CEAERO C[C@H](NC(=O)[C@H]([NH3+])CC1CC1)c1ccc(F)c(F)c1 ZINC000312028134 639992212 /nfs/dbraw/zinc/99/22/12/639992212.db2.gz XCODPNLELZARDM-ISVAXAHUSA-N 1 0 268.307 2.269 10 0 CEAERO Cc1ccnc(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1Br ZINC000261549847 640050509 /nfs/dbraw/zinc/05/05/09/640050509.db2.gz KUEILQYSYWFBQS-DCAQKATOSA-N 1 0 296.212 2.326 10 0 CEAERO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(Cl)ccc3O)C[C@H]2C1 ZINC000312960501 640169806 /nfs/dbraw/zinc/16/98/06/640169806.db2.gz JJGCFATZNDTBTB-GHMZBOCLSA-N 1 0 294.782 2.069 10 0 CEAERO [NH3+]CC[C@@H]1CCCCN1S(=O)(=O)/C=C\c1ccccc1 ZINC000227165060 640427073 /nfs/dbraw/zinc/42/70/73/640427073.db2.gz CSQSBSKJZJKRMF-WVUXNXBLSA-N 1 0 294.420 2.190 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cn1ccc(C(F)(F)F)n1 ZINC000153238770 640438477 /nfs/dbraw/zinc/43/84/77/640438477.db2.gz DBLITCVLSMJGDA-GHMZBOCLSA-N 1 0 288.317 2.028 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cnn(-c2ccccc2)n1 ZINC000175340431 641324686 /nfs/dbraw/zinc/32/46/86/641324686.db2.gz GLVPRYLVVVSTHA-QGZVFWFLSA-N 1 0 299.422 2.183 10 0 CEAERO CCCCC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H]1CCCO ZINC000250814172 641555213 /nfs/dbraw/zinc/55/52/13/641555213.db2.gz IKNDWEKAEKDWDZ-CABCVRRESA-N 1 0 284.444 2.308 10 0 CEAERO Fc1ccc(Cc2noc([C@@H]3CCC[NH2+]3)n2)c(F)c1 ZINC000083882263 642277424 /nfs/dbraw/zinc/27/74/24/642277424.db2.gz DOARBKYUGJSASE-NSHDSACASA-N 1 0 265.263 2.363 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1Nc1ncccc1Br ZINC000084212811 642315352 /nfs/dbraw/zinc/31/53/52/642315352.db2.gz IVFUKDZVIAYOGC-WCBMZHEXSA-N 1 0 270.174 2.383 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1Nc1ncccc1Br ZINC000129547471 652011991 /nfs/dbraw/zinc/01/19/91/652011991.db2.gz RUDODYIECMKLLE-SCZZXKLOSA-N 1 0 270.174 2.397 10 0 CEAERO Cc1cc(F)cc(-c2noc(C3(N)CCOCC3)n2)c1 ZINC000131891135 652479212 /nfs/dbraw/zinc/47/92/12/652479212.db2.gz SBPJZWLYDBOMMO-UHFFFAOYSA-N 1 0 277.299 2.149 10 0 CEAERO Cc1sc2ncnc(N3C[C@@H](C[NH3+])C[C@@H]3C)c2c1C ZINC000216167164 652969225 /nfs/dbraw/zinc/96/92/25/652969225.db2.gz NYPIHMWDPWTIOI-GZMMTYOYSA-N 1 0 276.409 2.482 10 0 CEAERO C[NH2+][C@@H]1CCCC[C@H]1S(=O)(=O)c1cccc(C)c1 ZINC000081986792 177913118 /nfs/dbraw/zinc/91/31/18/177913118.db2.gz WVIFCDIHPDXUBM-ZIAGYGMSSA-N 1 0 267.394 2.299 10 0 CEAERO CCCCS(=O)(=O)Cc1cc([C@@H](C)[NH3+])ccc1OC ZINC000082009126 177917831 /nfs/dbraw/zinc/91/78/31/177917831.db2.gz NHTLFMOTDGFJPT-LLVKDONJSA-N 1 0 285.409 2.430 10 0 CEAERO C[NH2+][C@@H](C[S@@](=O)c1ccc(Cl)cc1)C1CC1 ZINC000082000347 177917960 /nfs/dbraw/zinc/91/79/60/177917960.db2.gz MYNYTSVEEOQVNN-LRDDRELGSA-N 1 0 257.786 2.446 10 0 CEAERO CC(C)(NC(=O)[C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000082259570 177932664 /nfs/dbraw/zinc/93/26/64/177932664.db2.gz VCJXMZNBMMXCLI-NSHDSACASA-N 1 0 264.344 2.177 10 0 CEAERO COc1ccccc1CC[C@H](C[NH3+])c1nccn1C ZINC000082296268 177950360 /nfs/dbraw/zinc/95/03/60/177950360.db2.gz OURFDBPZIQUTCB-CYBMUJFWSA-N 1 0 259.353 2.104 10 0 CEAERO Cc1nc2ccccc2nc1N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261868838 282088420 /nfs/dbraw/zinc/08/84/20/282088420.db2.gz YREAAIBGMLQIDN-MRXNPFEDSA-N 1 0 268.364 2.128 10 0 CEAERO CN(CC[NH3+])[C@H]1CCc2cc(Br)ccc2C1 ZINC000082491619 178059057 /nfs/dbraw/zinc/05/90/57/178059057.db2.gz SPHFORSUFNUGHY-ZDUSSCGKSA-N 1 0 283.213 2.197 10 0 CEAERO C[C@@]([NH3+])(CCO)c1ccc(Br)s1 ZINC000082554913 178089305 /nfs/dbraw/zinc/08/93/05/178089305.db2.gz OONAOAHAZMZFIY-MRVPVSSYSA-N 1 0 250.161 2.067 10 0 CEAERO CSc1ccc(-c2nnc(CC[NH3+])s2)cc1 ZINC000082555716 178091162 /nfs/dbraw/zinc/09/11/62/178091162.db2.gz CEDLDJUAULJPJV-UHFFFAOYSA-N 1 0 251.380 2.428 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccccc1Br ZINC000082558833 178095333 /nfs/dbraw/zinc/09/53/33/178095333.db2.gz SRBUMYNMWULBPM-IUCAKERBSA-N 1 0 283.169 2.243 10 0 CEAERO CC[C@@H]1CSC(NCCOCC(F)(F)F)=[NH+]1 ZINC000082627774 178140090 /nfs/dbraw/zinc/14/00/90/178140090.db2.gz CMRVAONASRQJDQ-SSDOTTSWSA-N 1 0 256.293 2.036 10 0 CEAERO Cc1cc(Br)cn2c([C@H](C)[NH3+])cnc12 ZINC000082693423 178187223 /nfs/dbraw/zinc/18/72/23/178187223.db2.gz QPPCQXMJQXOVTD-ZETCQYMHSA-N 1 0 254.131 2.425 10 0 CEAERO CC(C)C[C@H]([NH3+])/C=C/S(=O)(=O)c1ccccc1 ZINC000033414787 361778873 /nfs/dbraw/zinc/77/88/73/361778873.db2.gz XYLDCQLZPGCXTG-IDVQTMNDSA-N 1 0 253.367 2.347 10 0 CEAERO Cn1cc([C@H]([NH3+])c2ccccc2Br)cn1 ZINC000034957686 361799922 /nfs/dbraw/zinc/79/99/22/361799922.db2.gz JBNSSZDXQBPTAY-NSHDSACASA-N 1 0 266.142 2.231 10 0 CEAERO C[C@H]1CN(Cc2csc(Cl)n2)C[C@@H]1[NH+](C)C ZINC000294962240 199271465 /nfs/dbraw/zinc/27/14/65/199271465.db2.gz NDEVNBOSJMLVQX-WPRPVWTQSA-N 1 0 259.806 2.178 10 0 CEAERO C[C@H]1CN(Cc2csc(Cl)n2)C[C@H]1[NH+](C)C ZINC000294962238 199272009 /nfs/dbraw/zinc/27/20/09/199272009.db2.gz NDEVNBOSJMLVQX-WCBMZHEXSA-N 1 0 259.806 2.178 10 0 CEAERO [NH3+][C@@H](C[S@](=O)c1ccc(Br)cc1)C1CC1 ZINC000082747114 178268839 /nfs/dbraw/zinc/26/88/39/178268839.db2.gz GXLRMDYVIUIWMR-XHDPSFHLSA-N 1 0 288.210 2.294 10 0 CEAERO C[NH2+][C@@H](C)C[S@@](=O)c1ccccc1Br ZINC000082747278 178269135 /nfs/dbraw/zinc/26/91/35/178269135.db2.gz AWVDPLCOUPHQHK-RTHLEPHNSA-N 1 0 276.199 2.165 10 0 CEAERO [NH3+]Cc1cnn(-c2ccccc2Br)c1 ZINC000035778920 361823412 /nfs/dbraw/zinc/82/34/12/361823412.db2.gz APCCXSQELRMCPV-UHFFFAOYSA-N 1 0 252.115 2.094 10 0 CEAERO C[NH2+][C@](C)(C[C@H](C)Sc1cccs1)C(N)=O ZINC000082797656 178301650 /nfs/dbraw/zinc/30/16/50/178301650.db2.gz MCYJHPBGMLKWIS-GZMMTYOYSA-N 1 0 258.412 2.082 10 0 CEAERO CC[NH2+][C@H]1CC[C@H](S(=O)(=O)c2cccs2)C1 ZINC000082819980 178316497 /nfs/dbraw/zinc/31/64/97/178316497.db2.gz OJICNPSTPVGFSS-UWVGGRQHSA-N 1 0 259.396 2.052 10 0 CEAERO CCC[NH2+][C@H](CCO)CSc1nc(C)cs1 ZINC000082990594 178332879 /nfs/dbraw/zinc/33/28/79/178332879.db2.gz BEEUSVKYQYNISW-SNVBAGLBSA-N 1 0 260.428 2.294 10 0 CEAERO C[C@H](O)CC[NH2+]Cc1ccc(O)c(Br)c1 ZINC000082992854 178333425 /nfs/dbraw/zinc/33/34/25/178333425.db2.gz NCMUIXLRNKHPEB-QMMMGPOBSA-N 1 0 274.158 2.015 10 0 CEAERO COc1ccc([C@@H](O)[C@H](C)C[NH3+])cc1Br ZINC000083021702 178334191 /nfs/dbraw/zinc/33/41/91/178334191.db2.gz FZIHEALCTWJEPU-HQJQHLMTSA-N 1 0 274.158 2.086 10 0 CEAERO C[NH2+][C@H](CO)CSc1cccc(Br)c1 ZINC000082902428 178328627 /nfs/dbraw/zinc/32/86/27/178328627.db2.gz YDDRLSGDZDPCNI-SECBINFHSA-N 1 0 276.199 2.122 10 0 CEAERO C[C@](O)(C[NH3+])CSc1ccccc1Br ZINC000082917456 178329697 /nfs/dbraw/zinc/32/96/97/178329697.db2.gz MWFCAYPMUTUPIP-JTQLQIEISA-N 1 0 276.199 2.251 10 0 CEAERO [NH3+][C@]1(Cc2ccccc2Br)CCOC1 ZINC000083186620 178352296 /nfs/dbraw/zinc/35/22/96/178352296.db2.gz LCLPITYJISXXNS-NSHDSACASA-N 1 0 256.143 2.109 10 0 CEAERO Cc1ccc(S(=O)(=O)C[C@@H]2CCCC[NH2+]2)c(C)c1 ZINC000083309109 178380115 /nfs/dbraw/zinc/38/01/15/178380115.db2.gz WORLPWBQMLQFPS-ZDUSSCGKSA-N 1 0 267.394 2.219 10 0 CEAERO C[C@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)CCS1 ZINC000125300471 187178556 /nfs/dbraw/zinc/17/85/56/187178556.db2.gz BOOBFTWDSYFZFT-HSBZDZAISA-N 1 0 299.484 2.254 10 0 CEAERO CCN(C(=O)CSCC[NH3+])c1cccc(C)c1 ZINC000096751669 185111515 /nfs/dbraw/zinc/11/15/15/185111515.db2.gz GYPKNVCIKGFEBT-UHFFFAOYSA-N 1 0 252.383 2.040 10 0 CEAERO COc1ccc([C@H]2C[C@H]2C(=O)NCCCC[NH+](C)C)cc1 ZINC000096771704 185112107 /nfs/dbraw/zinc/11/21/07/185112107.db2.gz BOJQSIXXWHNBDW-HZPDHXFCSA-N 1 0 290.407 2.257 10 0 CEAERO C[C@@H]1CO[C@@H](c2ccccc2Br)C[NH2+]1 ZINC000036673408 361850062 /nfs/dbraw/zinc/85/00/62/361850062.db2.gz HIMIAVYXAVUXDB-LDYMZIIASA-N 1 0 256.143 2.499 10 0 CEAERO Oc1cccc2c1CC[C@H]2[NH2+]CCCn1ccnc1 ZINC000036852646 361864598 /nfs/dbraw/zinc/86/45/98/361864598.db2.gz SYPZMYJEXMKSIG-CQSZACIVSA-N 1 0 257.337 2.256 10 0 CEAERO CC(C)([NH3+])[C@H](O)Cc1ccccc1Br ZINC000096951302 185139562 /nfs/dbraw/zinc/13/95/62/185139562.db2.gz ALHALRGACSYYMK-SNVBAGLBSA-N 1 0 258.159 2.090 10 0 CEAERO COc1ccc(C)cc1[C@@H](C)NC(=O)C1([NH3+])CCCC1 ZINC000037616404 361912766 /nfs/dbraw/zinc/91/27/66/361912766.db2.gz PBVMEMSCPIJSGN-GFCCVEGCSA-N 1 0 276.380 2.452 10 0 CEAERO COCc1cccc(NC(=O)C2CCC([NH3+])CC2)c1 ZINC000037626894 361915499 /nfs/dbraw/zinc/91/54/99/361915499.db2.gz FPWNZCXUOPKYMB-UHFFFAOYSA-N 1 0 262.353 2.289 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000096958585 185142556 /nfs/dbraw/zinc/14/25/56/185142556.db2.gz UNWNLPIFWJPVTN-VXGBXAGGSA-N 1 0 254.374 2.386 10 0 CEAERO Cc1ccccc1C[NH2+][C@H](C)C(=O)N1CCCCC1 ZINC000037853390 361955698 /nfs/dbraw/zinc/95/56/98/361955698.db2.gz ZQRAMSBZQRJUTM-CQSZACIVSA-N 1 0 260.381 2.486 10 0 CEAERO C[NH2+]C[C@@H]1CCCN(c2ccc(Br)cn2)C1 ZINC000040602092 361995476 /nfs/dbraw/zinc/99/54/76/361995476.db2.gz UDGJQRNBHFSHCM-JTQLQIEISA-N 1 0 284.201 2.280 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCOC(C)C ZINC000173322519 529405446 /nfs/dbraw/zinc/40/54/46/529405446.db2.gz BXYZAWGIGWDLFE-HUUCEWRRSA-N 1 0 297.443 2.070 10 0 CEAERO CC(C)c1cc2nc(C3C[NH2+]C3)nn2c(Cl)c1 ZINC000725245729 539191783 /nfs/dbraw/zinc/19/17/83/539191783.db2.gz FMSLSAXOWUZYAJ-UHFFFAOYSA-N 1 0 250.733 2.193 10 0 CEAERO [NH3+][C@H]1C[C@]12CNc1ccc(Br)c(Cl)c12 ZINC000725247695 539192735 /nfs/dbraw/zinc/19/27/35/539192735.db2.gz UVCTXCZXPHUPRR-XVKPBYJWSA-N 1 0 273.561 2.497 10 0 CEAERO FC(F)(F)c1cc2nc(C3C[NH2+]C3)nn2c(Cl)c1 ZINC000725243229 539190611 /nfs/dbraw/zinc/19/06/11/539190611.db2.gz QWKFXPDIPQENRE-UHFFFAOYSA-N 1 0 276.649 2.088 10 0 CEAERO CC[C@]1(N)C[NH2+]C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000725262801 539211639 /nfs/dbraw/zinc/21/16/39/539211639.db2.gz RZDHXEUOPAANJN-NEPJUHHUSA-N 1 0 258.287 2.500 10 0 CEAERO O=C(CC1CC1)N1CCC[C@H]([C@]23CC[C@H]2CC[NH2+]3)C1 ZINC000725263578 539212081 /nfs/dbraw/zinc/21/20/81/539212081.db2.gz RXQGGVDMEBITLR-DZKIICNBSA-N 1 0 262.397 2.167 10 0 CEAERO CC(C)C(=O)N1CCC[C@H]([C@@]23CC[C@@H]2CC[NH2+]3)C1 ZINC000725263588 539212116 /nfs/dbraw/zinc/21/21/16/539212116.db2.gz SRVZFEKDYINDAK-VNHYZAJKSA-N 1 0 250.386 2.023 10 0 CEAERO CC(C)(C)OC(=O)c1cccc([C@H]2CC[NH2+]C[C@H]2N)c1 ZINC000725270907 539215207 /nfs/dbraw/zinc/21/52/07/539215207.db2.gz UYFYCCKTDJMKPO-ZIAGYGMSSA-N 1 0 276.380 2.046 10 0 CEAERO CCC[NH+]1CCN(c2ccc(C(C)=O)c(O)c2)CC1 ZINC000093668969 534931814 /nfs/dbraw/zinc/93/18/14/534931814.db2.gz VXLFXWAJFKOVDE-UHFFFAOYSA-N 1 0 262.353 2.127 10 0 CEAERO [NH3+]CCCc1cccc(I)c1 ZINC000044279587 362152087 /nfs/dbraw/zinc/15/20/87/362152087.db2.gz QYTBOYHQQDVFJK-UHFFFAOYSA-N 1 0 261.106 2.183 10 0 CEAERO [NH3+]CCc1c(Br)cncc1Br ZINC000044397800 362152424 /nfs/dbraw/zinc/15/24/24/362152424.db2.gz RRYFSTUVKDUMBE-UHFFFAOYSA-N 1 0 279.963 2.108 10 0 CEAERO O[C@H](C[C@H]1CCC[NH2+]C1)CN1CCCc2ccccc21 ZINC000017315744 343373459 /nfs/dbraw/zinc/37/34/59/343373459.db2.gz SIRJWXUJMCZVAW-GDBMZVCRSA-N 1 0 274.408 2.190 10 0 CEAERO CN(C)CC(C[NH3+])(c1ccccc1)c1ccccc1 ZINC000001641464 343351753 /nfs/dbraw/zinc/35/17/53/343351753.db2.gz ZHFLJXSRKYCDSA-UHFFFAOYSA-N 1 0 254.377 2.493 10 0 CEAERO CN(Cc1ccccc1)C[C@H](O)C[NH2+]Cc1ccccc1 ZINC000028711012 343397990 /nfs/dbraw/zinc/39/79/90/343397990.db2.gz SOYFXGWMZNSNJQ-GOSISDBHSA-N 1 0 284.403 2.269 10 0 CEAERO [NH3+]C[C@H](O)c1ccc(F)c(OCc2ccccc2)c1 ZINC000032241342 343412129 /nfs/dbraw/zinc/41/21/29/343412129.db2.gz LBXBEDXTBAXUPP-AWEZNQCLSA-N 1 0 261.296 2.397 10 0 CEAERO C[C@@H](NC(=O)C1CC[NH2+]CC1)c1cc(F)ccc1F ZINC000037007629 343425097 /nfs/dbraw/zinc/42/50/97/343425097.db2.gz VPQQTNKJSOXPOV-SECBINFHSA-N 1 0 268.307 2.142 10 0 CEAERO Cn1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000037560893 343428004 /nfs/dbraw/zinc/42/80/04/343428004.db2.gz FUMJAZGDQSPJGB-AWEZNQCLSA-N 1 0 256.353 2.107 10 0 CEAERO COc1ccc(CN(C)C(=O)C2CCC([NH3+])CC2)cc1 ZINC000037797861 343430717 /nfs/dbraw/zinc/43/07/17/343430717.db2.gz PQMPHXQOOKYDCA-UHFFFAOYSA-N 1 0 276.380 2.171 10 0 CEAERO C[C@H](O)CN1CC[N@H+](CC(C)(C)c2ccccc2)C[C@@H]1C ZINC000245851991 539313042 /nfs/dbraw/zinc/31/30/42/539313042.db2.gz MONJIIYXEASIQT-HOTGVXAUSA-N 1 0 290.451 2.351 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@H](C)c2cccc(OC)c2)C1 ZINC000148280119 539315171 /nfs/dbraw/zinc/31/51/71/539315171.db2.gz GGTOPGJIBPSWIO-CZUORRHYSA-N 1 0 278.396 2.067 10 0 CEAERO C[C@@H](CCc1ccco1)[NH2+]C[C@H](O)COCc1ccco1 ZINC000049566446 343537940 /nfs/dbraw/zinc/53/79/40/343537940.db2.gz VEKGHQRRTKUIFP-KBPBESRZSA-N 1 0 293.363 2.361 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)NCCCc1ccccc1 ZINC000054291024 343587338 /nfs/dbraw/zinc/58/73/38/343587338.db2.gz BYGGWYPMHPFIFA-OAHLLOKOSA-N 1 0 260.381 2.125 10 0 CEAERO CC(C)(C)c1cc(NC(=O)C2CCC([NH3+])CC2)n[nH]1 ZINC000228345694 539337469 /nfs/dbraw/zinc/33/74/69/539337469.db2.gz SLTYJDURQUBXIY-UHFFFAOYSA-N 1 0 264.373 2.163 10 0 CEAERO CC[C@H](O)[C@@H](C[NH3+])c1ccccc1Br ZINC000083565028 178581542 /nfs/dbraw/zinc/58/15/42/178581542.db2.gz FQNMMLPPKYZPKB-ONGXEEELSA-N 1 0 258.159 2.262 10 0 CEAERO COCCCNC(=O)C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000049283041 362351684 /nfs/dbraw/zinc/35/16/84/362351684.db2.gz CRURWUYFFNAKFP-SECBINFHSA-N 1 0 290.816 2.205 10 0 CEAERO COc1ccc(Br)cc1CN1CCC[C@H]1C[NH3+] ZINC000049596422 362372473 /nfs/dbraw/zinc/37/24/73/362372473.db2.gz JQTAJBMAVNXIFQ-LBPRGKRZSA-N 1 0 299.212 2.381 10 0 CEAERO CCC[N@H+](C[C@H](O)CN1CCCC1=O)CC1CCCCC1 ZINC000111684922 344271306 /nfs/dbraw/zinc/27/13/06/344271306.db2.gz OMCQWKCQDWSRES-INIZCTEOSA-N 1 0 296.455 2.262 10 0 CEAERO Cn1c2ccccc2nc1-c1cccc(N2CC[NH2+]CC2)n1 ZINC000116455773 344286613 /nfs/dbraw/zinc/28/66/13/344286613.db2.gz YSBGGTARBYNPLP-UHFFFAOYSA-N 1 0 293.374 2.045 10 0 CEAERO OCC[NH2+][C@@H]1CCCc2sc(Br)cc21 ZINC000132258851 344362682 /nfs/dbraw/zinc/36/26/82/344362682.db2.gz POAXXVGBSVOZTG-MRVPVSSYSA-N 1 0 276.199 2.470 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]Cc2ccc(SC)cc2)C1 ZINC000134437114 344374002 /nfs/dbraw/zinc/37/40/02/344374002.db2.gz KKUQPQSRWLGPQA-AWEZNQCLSA-N 1 0 280.437 2.219 10 0 CEAERO CCN1CCO[C@H](C[NH2+]Cc2ccc(SC)cc2)C1 ZINC000134437090 344374251 /nfs/dbraw/zinc/37/42/51/344374251.db2.gz KKUQPQSRWLGPQA-CQSZACIVSA-N 1 0 280.437 2.219 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]Cc2c(C)cc(C)cc2C)C1 ZINC000134439672 344374357 /nfs/dbraw/zinc/37/43/57/344374357.db2.gz RUYJPVZLXKYQRA-INIZCTEOSA-N 1 0 276.424 2.422 10 0 CEAERO CCN1CCO[C@H](C[NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC000134437980 344374435 /nfs/dbraw/zinc/37/44/35/344374435.db2.gz CPTFKORJQDONRM-GFCCVEGCSA-N 1 0 286.778 2.289 10 0 CEAERO COC(=O)c1ccc(N[C@H](C[NH3+])C2CCCCC2)nc1C ZINC000147699967 344412762 /nfs/dbraw/zinc/41/27/62/344412762.db2.gz BUTGUXJRJNALLO-CQSZACIVSA-N 1 0 291.395 2.496 10 0 CEAERO [NH3+][C@@H]1CC[C@H](Oc2ccncc2Br)C1 ZINC000159992656 344456728 /nfs/dbraw/zinc/45/67/28/344456728.db2.gz ARLIUZHHKQRINY-SFYZADRCSA-N 1 0 257.131 2.103 10 0 CEAERO CCSCC[C@H](C)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000160198631 344457714 /nfs/dbraw/zinc/45/77/14/344457714.db2.gz DRWBKQBDPZTQNC-RYUDHWBXSA-N 1 0 258.431 2.024 10 0 CEAERO C[C@H]([NH3+])[C@H](O)c1ccc(Br)cc1Cl ZINC000161040167 344463167 /nfs/dbraw/zinc/46/31/67/344463167.db2.gz LTRYGYQQHNPGAV-CDUCUWFYSA-N 1 0 264.550 2.483 10 0 CEAERO C[N@@H+]1CCCC[C@@H]1CCc1ccccc1NS(C)(=O)=O ZINC000165425336 344474312 /nfs/dbraw/zinc/47/43/12/344474312.db2.gz DSYUMUBBEYIOCA-CQSZACIVSA-N 1 0 296.436 2.475 10 0 CEAERO C[C@@H]1CC2(C[NH+]=C(N)N2Cc2ccccc2)C[C@@H](C)O1 ZINC000165617076 344474920 /nfs/dbraw/zinc/47/49/20/344474920.db2.gz QLOBWMCJSCWBIH-CHWSQXEVSA-N 1 0 273.380 2.143 10 0 CEAERO Cc1ccc(CCNC(=O)N2CC[C@H]([NH+](C)C)C2)c(C)c1 ZINC000170834513 344491283 /nfs/dbraw/zinc/49/12/83/344491283.db2.gz JQEOKLDCEXAYNO-INIZCTEOSA-N 1 0 289.423 2.191 10 0 CEAERO C[C@H]1CC[NH2+]C[C@@H]1Oc1nc(Br)cs1 ZINC000230205859 344571753 /nfs/dbraw/zinc/57/17/53/344571753.db2.gz LSTLNWFPQJXJTR-BQBZGAKWSA-N 1 0 277.187 2.282 10 0 CEAERO C[C@@H]([NH3+])[C@@H](O)c1c(Cl)cccc1Br ZINC000218531910 344536887 /nfs/dbraw/zinc/53/68/87/344536887.db2.gz LVGDBZMUPJXLPR-MLUIRONXSA-N 1 0 264.550 2.483 10 0 CEAERO CCc1nsc(N2CCc3ccccc3[C@@H]2C[NH3+])n1 ZINC000227724836 344556384 /nfs/dbraw/zinc/55/63/84/344556384.db2.gz NCAKOCDAVYGOPO-LBPRGKRZSA-N 1 0 274.393 2.163 10 0 CEAERO COc1cc2c(cc1CN1CCCC[C@H]1C[NH3+])O[C@@H](C)C2 ZINC000227876469 344556963 /nfs/dbraw/zinc/55/69/63/344556963.db2.gz ITHHJSGSOVPWIG-WFASDCNBSA-N 1 0 290.407 2.332 10 0 CEAERO CCCCOC[C@H](O)C[NH2+]C[C@@H]1CCCCS1 ZINC000227894578 344557551 /nfs/dbraw/zinc/55/75/51/344557551.db2.gz OJAUKWMGESHBQH-OLZOCXBDSA-N 1 0 261.431 2.039 10 0 CEAERO Cn1ncc(Br)c1[C@H]([NH3+])[C@H]1CC1(C)C ZINC000236088468 344593946 /nfs/dbraw/zinc/59/39/46/344593946.db2.gz VWXQWLCDECFFOX-HTRCEHHLSA-N 1 0 258.163 2.229 10 0 CEAERO Cn1ncc(Br)c1[C@@H]([NH3+])[C@@H]1CC1(C)C ZINC000236084976 344594011 /nfs/dbraw/zinc/59/40/11/344594011.db2.gz VWXQWLCDECFFOX-XPUUQOCRSA-N 1 0 258.163 2.229 10 0 CEAERO Clc1cc(CN2CC[NH2+]CC2)c(Cl)s1 ZINC000236046465 344594022 /nfs/dbraw/zinc/59/40/22/344594022.db2.gz XQNSKUPVNWBGPY-UHFFFAOYSA-N 1 0 251.182 2.460 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)C(C)(C)C)C1 ZINC000246537229 344616991 /nfs/dbraw/zinc/61/69/91/344616991.db2.gz HHZZBVDKICDPAD-NEPJUHHUSA-N 1 0 255.406 2.205 10 0 CEAERO Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H]2CCCO)c1C ZINC000052761966 362474397 /nfs/dbraw/zinc/47/43/97/362474397.db2.gz PSUDDUPXXSRVBP-HNNXBMFYSA-N 1 0 290.407 2.479 10 0 CEAERO COC(=O)c1ccc(Br)cc1[C@H](C)[NH3+] ZINC000238380679 344606406 /nfs/dbraw/zinc/60/64/06/344606406.db2.gz FKTRZVMYEOVEOF-LURJTMIESA-N 1 0 258.115 2.255 10 0 CEAERO [NH3+][C@@H](CF)c1cc2c(cc1Br)OCO2 ZINC000238575450 344607028 /nfs/dbraw/zinc/60/70/28/344607028.db2.gz UZJKKAGRSXXVFF-ZETCQYMHSA-N 1 0 262.078 2.147 10 0 CEAERO [NH3+][C@H](CF)c1ccccc1I ZINC000238685621 344607661 /nfs/dbraw/zinc/60/76/61/344607661.db2.gz UCDHVGQEIBTLMN-MRVPVSSYSA-N 1 0 265.069 2.261 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@H](C)c2ccc(F)c(F)c2)C1 ZINC000252951501 344642259 /nfs/dbraw/zinc/64/22/59/344642259.db2.gz DYFXEHBOCRNWGV-YPMHNXCESA-N 1 0 284.350 2.336 10 0 CEAERO Cc1nnsc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000311588658 344734855 /nfs/dbraw/zinc/73/48/55/344734855.db2.gz ZLDPSQOYZFJVLD-JHJVBQTASA-N 1 0 281.425 2.362 10 0 CEAERO C[C@@H]1CCC[C@@H](CNC(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000300677918 344701608 /nfs/dbraw/zinc/70/16/08/344701608.db2.gz BDEIKEAWQFDLEG-MGPQQGTHSA-N 1 0 252.402 2.319 10 0 CEAERO Brc1cncc(NCC2CC[NH2+]CC2)c1 ZINC000300881777 344701834 /nfs/dbraw/zinc/70/18/34/344701834.db2.gz RUFTXJAWUXXJKH-UHFFFAOYSA-N 1 0 270.174 2.256 10 0 CEAERO [NH3+][C@@H]1CCCO[C@@H]1c1cnn(Cc2ccccc2)c1 ZINC000306598929 344715183 /nfs/dbraw/zinc/71/51/83/344715183.db2.gz QLHNFDHMABRUDC-HUUCEWRRSA-N 1 0 257.337 2.110 10 0 CEAERO C[C@H]1C[C@H](N2CCNC2=O)CC[N@@H+]1Cc1ccccc1 ZINC000306595377 344715324 /nfs/dbraw/zinc/71/53/24/344715324.db2.gz KVEFTJDRGLOBEJ-DZGCQCFKSA-N 1 0 273.380 2.065 10 0 CEAERO O[C@H](C[NH2+][C@H](C1CC1)C1CCC1)COCc1ccco1 ZINC000324990345 344754584 /nfs/dbraw/zinc/75/45/84/344754584.db2.gz VGTSGGPRNABJQH-ZBFHGGJFSA-N 1 0 279.380 2.325 10 0 CEAERO COc1cc(N[C@H]2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1C ZINC000382468728 344826237 /nfs/dbraw/zinc/82/62/37/344826237.db2.gz OJKZKLBKARTVCR-QWRGUYRKSA-N 1 0 279.340 2.451 10 0 CEAERO N#Cc1cc(Br)cnc1NC[C@H]1CCCC[NH2+]1 ZINC000383330728 344826902 /nfs/dbraw/zinc/82/69/02/344826902.db2.gz GSTCTIZMSLEFJQ-LLVKDONJSA-N 1 0 295.184 2.270 10 0 CEAERO Cc1cccc([C@@H](C)[NH2+]C2CCN(CCO)CC2)c1 ZINC000399116667 344856917 /nfs/dbraw/zinc/85/69/17/344856917.db2.gz NAXWCGQMZSYYRI-CQSZACIVSA-N 1 0 262.397 2.102 10 0 CEAERO CC[NH2+][C@H](C)CC[S@@](=O)c1ccc(F)cc1F ZINC000084032228 178773147 /nfs/dbraw/zinc/77/31/47/178773147.db2.gz UUSQWSCYQPMBCF-XLFHBGCDSA-N 1 0 261.337 2.461 10 0 CEAERO CCC[NH2+][C@H](C)C[S@@](=O)c1cccc(OC)c1 ZINC000084003457 178770233 /nfs/dbraw/zinc/77/02/33/178770233.db2.gz UTXFOVHNWKKKKZ-DIFFPNOSSA-N 1 0 255.383 2.191 10 0 CEAERO C[NH2+][C@H](C[S@@](=O)C(C)C)c1ccc2c(c1)OCCCO2 ZINC000084042909 178777810 /nfs/dbraw/zinc/77/78/10/178777810.db2.gz ZYXOKKQIIJQTDS-XCLFUZPHSA-N 1 0 297.420 2.266 10 0 CEAERO CC[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccc(O)cc1 ZINC000084059247 178779854 /nfs/dbraw/zinc/77/98/54/178779854.db2.gz NIKJTYUUHKAUOG-JSGCOSHPSA-N 1 0 262.353 2.054 10 0 CEAERO C[C@]1(Nc2ncc(C(F)(F)F)cn2)CCC[C@H]1[NH3+] ZINC000584614492 344965093 /nfs/dbraw/zinc/96/50/93/344965093.db2.gz SZJNKKUDYWPWKO-SCZZXKLOSA-N 1 0 260.263 2.177 10 0 CEAERO COc1ccccc1OCC[NH2+]CCCCOC(C)=O ZINC000584616237 344966031 /nfs/dbraw/zinc/96/60/31/344966031.db2.gz GJCVZNFSCWBDSY-UHFFFAOYSA-N 1 0 281.352 2.007 10 0 CEAERO C[NH+](C)CCCN1C(=O)CC2(CCCCCC2)C1=O ZINC000584624855 344968237 /nfs/dbraw/zinc/96/82/37/344968237.db2.gz FFLCTCLUXHHESE-UHFFFAOYSA-N 1 0 266.385 2.038 10 0 CEAERO CCOC(=O)[C@@H](CC)Oc1ccc(C[C@@H](C)[NH3+])cc1 ZINC000084105761 178793099 /nfs/dbraw/zinc/79/30/99/178793099.db2.gz NTGWIXHGKMQPBQ-BXUZGUMPSA-N 1 0 265.353 2.297 10 0 CEAERO CCN(C[C@H]1CCCO1)C(=O)CC1([NH3+])CCCCC1 ZINC000084184973 178818494 /nfs/dbraw/zinc/81/84/94/178818494.db2.gz DLUVGNOPNAHZTJ-CYBMUJFWSA-N 1 0 268.401 2.066 10 0 CEAERO COc1ccc(-c2noc(C[C@H]3CCC[NH2+]C3)n2)cc1 ZINC000054301390 362524268 /nfs/dbraw/zinc/52/42/68/362524268.db2.gz ZOWXKUMTVLCKFI-LLVKDONJSA-N 1 0 273.336 2.287 10 0 CEAERO Cc1cc(N(C)C)ccc1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054306519 362525054 /nfs/dbraw/zinc/52/50/54/362525054.db2.gz PHCYVIKUOKORJZ-ZDUSSCGKSA-N 1 0 275.396 2.389 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)N1CCC[C@H]1c1ccncc1 ZINC000054306189 362525335 /nfs/dbraw/zinc/52/53/35/362525335.db2.gz BBGBENKMKFUEIV-ZFWWWQNUSA-N 1 0 273.380 2.135 10 0 CEAERO CCc1nc(NC(=O)C[C@@H]2CCC[NH2+]C2)sc1C ZINC000054308926 362526145 /nfs/dbraw/zinc/52/61/45/362526145.db2.gz KUQBSLULAWYIHK-JTQLQIEISA-N 1 0 267.398 2.342 10 0 CEAERO COCCOc1ccc(NC(=O)C[C@H]2CCC[NH2+]C2)cc1 ZINC000054307450 362526674 /nfs/dbraw/zinc/52/66/74/362526674.db2.gz QRRNEKFTOANKMD-CYBMUJFWSA-N 1 0 292.379 2.040 10 0 CEAERO [NH3+]C1(CCN2CCN(c3nccs3)CC2)CCCCC1 ZINC000084187957 178820763 /nfs/dbraw/zinc/82/07/63/178820763.db2.gz IBRUKEGWKQNFHO-UHFFFAOYSA-N 1 0 294.468 2.317 10 0 CEAERO CCc1ccccc1CN1CCC[C@H]([NH2+]C2CC2)C1=O ZINC000084208661 178825746 /nfs/dbraw/zinc/82/57/46/178825746.db2.gz UWVMVTNWTFSAGI-INIZCTEOSA-N 1 0 272.392 2.492 10 0 CEAERO COC[C@@H](C)C[C@@H]([NH3+])c1ccc2c(c1)OCCO2 ZINC000097077603 185522184 /nfs/dbraw/zinc/52/21/84/185522184.db2.gz WZGSNNSUHUURCH-CMPLNLGQSA-N 1 0 251.326 2.130 10 0 CEAERO C[NH2+][C@H](Cc1c(Br)c(C)nn1C)[C@H]1C[C@@H]1C ZINC000084274467 178839876 /nfs/dbraw/zinc/83/98/76/178839876.db2.gz XJGMBUFEZSNYBW-UJNFCWOMSA-N 1 0 286.217 2.278 10 0 CEAERO Cc1sc2ncnc(NCC(C)(C)[NH3+])c2c1C ZINC000096470185 232185303 /nfs/dbraw/zinc/18/53/03/232185303.db2.gz RBIZMSAAAFRLFF-UHFFFAOYSA-N 1 0 250.371 2.457 10 0 CEAERO CCOC(=O)[C@@](C)(N)C[C@@H](C)[N@H+](CC(C)C)C(C)C ZINC000084349087 178862530 /nfs/dbraw/zinc/86/25/30/178862530.db2.gz WDIYTOWIARAMMK-HIFRSBDPSA-N 1 0 272.433 2.412 10 0 CEAERO C[NH2+][C@H](C[C@H]1CCS(=O)(=O)C1)c1ccc(C)cc1C ZINC000097133962 185542988 /nfs/dbraw/zinc/54/29/88/185542988.db2.gz ZPSDUDILNIEKHN-UKRRQHHQSA-N 1 0 281.421 2.389 10 0 CEAERO CCSCC[C@H](C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000593910383 345550980 /nfs/dbraw/zinc/55/09/80/345550980.db2.gz VJXDYJQDOOOABB-IVZWLZJFSA-N 1 0 298.374 2.032 10 0 CEAERO CCC[NH2+][C@](C)(C[C@H](C)Oc1ccccc1)C(N)=O ZINC000084394114 178881699 /nfs/dbraw/zinc/88/16/99/178881699.db2.gz XWOSTCWDDWYLJM-SWLSCSKDSA-N 1 0 264.369 2.088 10 0 CEAERO CCCCCO[C@@H](C)C[C@@](C)([NH2+]CCC)C(N)=O ZINC000084396092 178881732 /nfs/dbraw/zinc/88/17/32/178881732.db2.gz PIMUEIWCYWCKNV-GXTWGEPZSA-N 1 0 258.406 2.215 10 0 CEAERO C[C@](O)(C[NH2+]C1CC1)Cc1ccn(C2CCCCC2)n1 ZINC000097210484 185564455 /nfs/dbraw/zinc/56/44/55/185564455.db2.gz NXJSDNWKPMGDSS-MRXNPFEDSA-N 1 0 277.412 2.434 10 0 CEAERO CC[NH2+][C@H](CCCS(=O)(=O)CC)[C@]1(C)CCCS1 ZINC000097217542 185566963 /nfs/dbraw/zinc/56/69/63/185566963.db2.gz KMNRCPOOUDIYFI-OLZOCXBDSA-N 1 0 293.498 2.465 10 0 CEAERO CC[NH2+][C@@H](C[C@@H]1CCS(=O)(=O)C1)c1ccsc1 ZINC000097222607 185568127 /nfs/dbraw/zinc/56/81/27/185568127.db2.gz WGCWBYUEHSGNJL-JQWIXIFHSA-N 1 0 273.423 2.224 10 0 CEAERO CCC[NH2+][C@H](C=C(C)C)C[C@@H]1CCS(=O)(=O)C1 ZINC000097283430 185579296 /nfs/dbraw/zinc/57/92/96/185579296.db2.gz HSQXCDQZYUMWIE-QWHCGFSZSA-N 1 0 259.415 2.146 10 0 CEAERO CCn1ccnc1C[C@@H]([NH3+])[C@@H]1Cc2ccccc2S1 ZINC000097304485 185581349 /nfs/dbraw/zinc/58/13/49/185581349.db2.gz JXCLCJZCLMANFU-OCCSQVGLSA-N 1 0 273.405 2.490 10 0 CEAERO CCC[NH2+][C@H](COC(C)(C)C)Cc1ncnn1CC ZINC000097280426 185577499 /nfs/dbraw/zinc/57/74/99/185577499.db2.gz SSUWHNHAUQXBJY-LBPRGKRZSA-N 1 0 268.405 2.024 10 0 CEAERO C[NH2+][C@H](Cc1ncnn1CC(C)C)c1cccnc1C ZINC000097278224 185577509 /nfs/dbraw/zinc/57/75/09/185577509.db2.gz NQYVPIAOECMFIV-CQSZACIVSA-N 1 0 273.384 2.141 10 0 CEAERO CCn1ncnc1C[C@@H]([NH3+])CCCc1ccccc1 ZINC000097280175 185578122 /nfs/dbraw/zinc/57/81/22/185578122.db2.gz IZTCWBBDGPSPEK-AWEZNQCLSA-N 1 0 258.369 2.191 10 0 CEAERO CCn1nc(C)cc1C[C@H]([NH2+]C)[C@H]1CCSC1 ZINC000097281546 185578879 /nfs/dbraw/zinc/57/88/79/185578879.db2.gz GOOBGKUSYIVYIG-AAEUAGOBSA-N 1 0 253.415 2.095 10 0 CEAERO CCc1ccc(C[C@H]([NH3+])c2cc(C)nnc2C)nc1 ZINC000097313586 185584400 /nfs/dbraw/zinc/58/44/00/185584400.db2.gz KAIZFVZTOCUXNG-HNNXBMFYSA-N 1 0 256.353 2.293 10 0 CEAERO C[NH+]1CCC(N2C(=O)COc3ccc(Cl)cc32)CC1 ZINC000075321662 136491572 /nfs/dbraw/zinc/49/15/72/136491572.db2.gz CHTFFADYGZTWHH-UHFFFAOYSA-N 1 0 280.755 2.160 10 0 CEAERO C[C@H](NC(=O)C[NH+](C)C)c1cccc(Br)c1 ZINC000170752891 232267489 /nfs/dbraw/zinc/26/74/89/232267489.db2.gz HENUHLSLVYMIFY-VIFPVBQESA-N 1 0 285.185 2.188 10 0 CEAERO Cc1cnc([C@@H]([NH3+])[C@H]2CCOC3(CCSCC3)C2)cn1 ZINC000097340558 185586871 /nfs/dbraw/zinc/58/68/71/185586871.db2.gz HFYRIXLKJKJENF-JSGCOSHPSA-N 1 0 293.436 2.477 10 0 CEAERO CC[NH2+][C@H](Cc1ccn(C)n1)[C@@H]1OCCc2ccccc21 ZINC000097353506 185588021 /nfs/dbraw/zinc/58/80/21/185588021.db2.gz PXEKWUIMXQRUPM-IAGOWNOFSA-N 1 0 285.391 2.255 10 0 CEAERO [NH3+][C@H](Cc1cncs1)Cn1cnc2ccccc21 ZINC000097386395 185595950 /nfs/dbraw/zinc/59/59/50/185595950.db2.gz WRQDYACSYIDZDE-SNVBAGLBSA-N 1 0 258.350 2.063 10 0 CEAERO [NH3+]C/C=C/COc1ccc(F)cc1Br ZINC000085054585 178944298 /nfs/dbraw/zinc/94/42/98/178944298.db2.gz INECPOVNCSKLAX-OWOJBTEDSA-N 1 0 260.106 2.482 10 0 CEAERO C[C@@](O)(CC[NH3+])Cc1ccccc1Br ZINC000084996801 178941364 /nfs/dbraw/zinc/94/13/64/178941364.db2.gz ZMMUUSBQYSHZLA-LLVKDONJSA-N 1 0 258.159 2.091 10 0 CEAERO C[NH2+][C@@H](Cc1ccn(C)n1)[C@@H]1Cc2ccccc2S1 ZINC000097380534 185594741 /nfs/dbraw/zinc/59/47/41/185594741.db2.gz JJALDXSWVXHORH-ZFWWWQNUSA-N 1 0 273.405 2.268 10 0 CEAERO C[C@H](CC[NH3+])CNC(=O)Nc1ccc(F)cc1F ZINC000097441053 185605159 /nfs/dbraw/zinc/60/51/59/185605159.db2.gz ACKUIYYDERISHF-MRVPVSSYSA-N 1 0 257.284 2.071 10 0 CEAERO CCC[NH2+][C@@](CO)(CN(C)C(C)(C)CC)C1CC1 ZINC000085212275 178974386 /nfs/dbraw/zinc/97/43/86/178974386.db2.gz HISBNYBKWVTHJB-OAHLLOKOSA-N 1 0 256.434 2.248 10 0 CEAERO CCCN(CC(F)(F)F)C[C@@](CO)([NH2+]CC)C1CC1 ZINC000085241743 178982725 /nfs/dbraw/zinc/98/27/25/178982725.db2.gz UMYHZUGUAGGCGR-LBPRGKRZSA-N 1 0 282.350 2.011 10 0 CEAERO C[C@H](O)[C@H](C)[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000094654599 136514310 /nfs/dbraw/zinc/51/43/10/136514310.db2.gz WDJOADZEHMXJNP-RYUDHWBXSA-N 1 0 268.788 2.231 10 0 CEAERO CC[NH+](CC)C1([C@@H](Cc2ccccn2)NN)CCCC1 ZINC000097587885 185633987 /nfs/dbraw/zinc/63/39/87/185633987.db2.gz VMLAJVJVWIJTMG-OAHLLOKOSA-N 1 0 276.428 2.111 10 0 CEAERO CCC(CC)([C@@H](Cc1ccncc1)NN)[NH+]1CCCC1 ZINC000097587336 185632707 /nfs/dbraw/zinc/63/27/07/185632707.db2.gz PTTKUJUDNMYVGQ-OAHLLOKOSA-N 1 0 276.428 2.111 10 0 CEAERO CC[NH2+][C@](CO)(COCC(F)(F)F)c1ccccc1 ZINC000085282788 179000623 /nfs/dbraw/zinc/00/06/23/179000623.db2.gz BZJUXTNZTAZTEI-GFCCVEGCSA-N 1 0 277.286 2.063 10 0 CEAERO CC[NH2+][C@](C)(CO)COc1ccccc1C(F)(F)F ZINC000085282963 179000654 /nfs/dbraw/zinc/00/06/54/179000654.db2.gz STUKLHOYYSVZAV-GFCCVEGCSA-N 1 0 277.286 2.445 10 0 CEAERO CC[NH2+][C@H](CO)COc1ccccc1C(F)(F)F ZINC000085282947 179000811 /nfs/dbraw/zinc/00/08/11/179000811.db2.gz UNCKVCLIGJFMCZ-SECBINFHSA-N 1 0 263.259 2.055 10 0 CEAERO CC[NH2+][C@](C)(CO)CCCOc1ccccc1F ZINC000085284464 179002013 /nfs/dbraw/zinc/00/20/13/179002013.db2.gz VEWSZRGSTISKDV-AWEZNQCLSA-N 1 0 255.333 2.345 10 0 CEAERO C[NH2+][C@H](CO)CCOc1cc(C)ccc1C(C)C ZINC000085284235 179002276 /nfs/dbraw/zinc/00/22/76/179002276.db2.gz OCEBVBGFWURHGZ-ZDUSSCGKSA-N 1 0 251.370 2.468 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)C[C@H](C)n1cc(Cl)cn1 ZINC000085263841 178994004 /nfs/dbraw/zinc/99/40/04/178994004.db2.gz PAEXWJVSIJKECY-CMPLNLGQSA-N 1 0 259.781 2.237 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCCCn1cc(Cl)c(C)n1 ZINC000085264917 178995516 /nfs/dbraw/zinc/99/55/16/178995516.db2.gz GUEHYMLZMZXLIG-CYBMUJFWSA-N 1 0 273.808 2.376 10 0 CEAERO CC[NH2+][C@](C)(CO)C[C@H](C)Oc1cccc(F)c1F ZINC000085266324 178996934 /nfs/dbraw/zinc/99/69/34/178996934.db2.gz QDTLLNITPWVVPT-HZMBPMFUSA-N 1 0 273.323 2.483 10 0 CEAERO CC[NH+](CC)CC[C@H](NN)c1cnc2ccccc2c1 ZINC000097591899 185634954 /nfs/dbraw/zinc/63/49/54/185634954.db2.gz VAKOPOPZVDJREF-INIZCTEOSA-N 1 0 272.396 2.471 10 0 CEAERO Cc1cc(C)c(C)c(O[C@H](C)C[C@@](C)([NH3+])CO)c1 ZINC000085286065 179003795 /nfs/dbraw/zinc/00/37/95/179003795.db2.gz JBQPEIMCEMWJAC-IUODEOHRSA-N 1 0 251.370 2.479 10 0 CEAERO Cc1ccc2cccc(OCC[C@](C)([NH3+])CO)c2n1 ZINC000085286544 179003854 /nfs/dbraw/zinc/00/38/54/179003854.db2.gz ZYMLRUBGKQGDPW-HNNXBMFYSA-N 1 0 260.337 2.022 10 0 CEAERO Cc1ccnc(SCC[C@@](C)(CO)[NH2+]C(C)C)n1 ZINC000085287866 179004517 /nfs/dbraw/zinc/00/45/17/179004517.db2.gz PTZSMCGAAKTUOO-ZDUSSCGKSA-N 1 0 269.414 2.016 10 0 CEAERO C[C@H](C[C@](C)(CO)[NH2+]C1CC1)SC1CCOCC1 ZINC000085290181 179006830 /nfs/dbraw/zinc/00/68/30/179006830.db2.gz KRDQWKIPZZWDRV-BXUZGUMPSA-N 1 0 273.442 2.180 10 0 CEAERO CC[NH2+][C@@H](CO)CCSc1nc2ccccc2[nH]1 ZINC000085291667 179007199 /nfs/dbraw/zinc/00/71/99/179007199.db2.gz LIYXZLDQWVXFPL-SNVBAGLBSA-N 1 0 265.382 2.016 10 0 CEAERO CC[NH2+][C@](C)(CO)CSc1cccc(OC)c1 ZINC000085291177 179007458 /nfs/dbraw/zinc/00/74/58/179007458.db2.gz MKNUKTIUZUUXPB-CYBMUJFWSA-N 1 0 255.383 2.148 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)C[C@@H](C)Sc1nncs1 ZINC000085292482 179007903 /nfs/dbraw/zinc/00/79/03/179007903.db2.gz ZEGGDVKSCVHRTE-KOLCDFICSA-N 1 0 275.443 2.158 10 0 CEAERO CCC[NH2+][C@@](C)(CO)C[C@@H](C)Sc1nnc(C)s1 ZINC000085297128 179008297 /nfs/dbraw/zinc/00/82/97/179008297.db2.gz ALSSDIPKBNYIFY-BXKDBHETSA-N 1 0 289.470 2.468 10 0 CEAERO CC[NH2+][C@@](C)(CO)CSc1ncnc2ccccc21 ZINC000085297268 179008431 /nfs/dbraw/zinc/00/84/31/179008431.db2.gz IWOHVWUWGYHLQM-AWEZNQCLSA-N 1 0 277.393 2.082 10 0 CEAERO CC[NH2+][C@](C)(CO)CCCSc1ncc(C)cn1 ZINC000085297803 179009030 /nfs/dbraw/zinc/00/90/30/179009030.db2.gz GSZCGEXJZMISDT-ZDUSSCGKSA-N 1 0 269.414 2.018 10 0 CEAERO Cc1cnc(SCCC[C@](C)(CO)[NH2+]C(C)C)nc1 ZINC000085297712 179009237 /nfs/dbraw/zinc/00/92/37/179009237.db2.gz ZKCVWBBVLJVACK-CQSZACIVSA-N 1 0 283.441 2.406 10 0 CEAERO CCC[NH2+][C@](CO)(CSc1ncc(C)cn1)C1CC1 ZINC000085297798 179009469 /nfs/dbraw/zinc/00/94/69/179009469.db2.gz FERTUMMAISVGDJ-CQSZACIVSA-N 1 0 281.425 2.018 10 0 CEAERO CCC[NH2+][C@](C)(CO)C[C@@H](C)Sc1ncc(C)cn1 ZINC000085297825 179009560 /nfs/dbraw/zinc/00/95/60/179009560.db2.gz DJBMQUWDDGJLDS-OCCSQVGLSA-N 1 0 283.441 2.406 10 0 CEAERO CCN(CC[C@H](O)C[NH3+])c1cccc2ccccc21 ZINC000085303895 179011349 /nfs/dbraw/zinc/01/13/49/179011349.db2.gz BCHOSLJNNPLPQN-AWEZNQCLSA-N 1 0 258.365 2.376 10 0 CEAERO Cc1ccccc1N(C)CCCC[C@@](C)(O)C[NH3+] ZINC000085303569 179011443 /nfs/dbraw/zinc/01/14/43/179011443.db2.gz QJFSPWVMNPFMMX-OAHLLOKOSA-N 1 0 250.386 2.311 10 0 CEAERO COc1cccc(N(C)CCCC[C@](C)(O)C[NH3+])c1 ZINC000085303445 179011618 /nfs/dbraw/zinc/01/16/18/179011618.db2.gz KWANARRGYSDVIE-HNNXBMFYSA-N 1 0 266.385 2.011 10 0 CEAERO C[C@@](O)(C[NH3+])CCSc1ccc2c(c1)CCC2 ZINC000085308817 179013162 /nfs/dbraw/zinc/01/31/62/179013162.db2.gz OGWWSZSWKOHMOT-AWEZNQCLSA-N 1 0 251.395 2.367 10 0 CEAERO Cc1ccc2[nH]c(SCC[C@](C)(O)C[NH3+])nc2c1 ZINC000085307971 179013388 /nfs/dbraw/zinc/01/33/88/179013388.db2.gz XCTMNBSQDUZVJM-ZDUSSCGKSA-N 1 0 265.382 2.063 10 0 CEAERO C[C@H]([NH3+])CSCc1nc(-c2ccsc2)no1 ZINC000085313152 179013842 /nfs/dbraw/zinc/01/38/42/179013842.db2.gz SJQVQXKCKMTWAL-ZETCQYMHSA-N 1 0 255.368 2.379 10 0 CEAERO C[C@H]([NH3+])CSCC(=O)Nc1cccc(Cl)c1 ZINC000085312815 179014050 /nfs/dbraw/zinc/01/40/50/179014050.db2.gz POWBTQSEDBFHPX-QMMMGPOBSA-N 1 0 258.774 2.359 10 0 CEAERO CC(=O)Nc1nc(CSCC[C@@H](C)[NH3+])cs1 ZINC000085317529 179014120 /nfs/dbraw/zinc/01/41/20/179014120.db2.gz XLCMKQRNJRKYET-SSDOTTSWSA-N 1 0 259.400 2.072 10 0 CEAERO COc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])c(OC)c1 ZINC000085355409 179030474 /nfs/dbraw/zinc/03/04/74/179030474.db2.gz KFUQLJYKSIOHAY-NEPJUHHUSA-N 1 0 278.352 2.160 10 0 CEAERO Cc1ccc(CN(C)C(=O)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000085357653 179030649 /nfs/dbraw/zinc/03/06/49/179030649.db2.gz UTROJMSDGCBBNE-GJZGRUSLSA-N 1 0 260.381 2.471 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1cc(F)cc(F)c1 ZINC000085356995 179030901 /nfs/dbraw/zinc/03/09/01/179030901.db2.gz UOYWLRXEPCSSJC-VXGBXAGGSA-N 1 0 254.280 2.421 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc2C1 ZINC000085356596 179031057 /nfs/dbraw/zinc/03/10/57/179031057.db2.gz CZOVWCPECPGFMP-GJZGRUSLSA-N 1 0 258.365 2.089 10 0 CEAERO CN(C)c1ccc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000085359046 179032114 /nfs/dbraw/zinc/03/21/14/179032114.db2.gz AHBCNSIRGCQKDZ-KBPBESRZSA-N 1 0 261.369 2.209 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000085361363 179033212 /nfs/dbraw/zinc/03/32/12/179033212.db2.gz VSNBLBUHCUBRGB-HUUCEWRRSA-N 1 0 284.363 2.328 10 0 CEAERO COc1ccc([C@H]2CCCN2C(=O)[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000085366796 179037096 /nfs/dbraw/zinc/03/70/96/179037096.db2.gz UHLAATKJSJGLRR-HRCADAONSA-N 1 0 288.391 2.486 10 0 CEAERO CCOc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])cc1CO ZINC000085369564 179038973 /nfs/dbraw/zinc/03/89/73/179038973.db2.gz FMKWEBKADDJBGL-KGLIPLIRSA-N 1 0 292.379 2.034 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)N(Cc1ccsc1)C1CC1 ZINC000085370547 179040599 /nfs/dbraw/zinc/04/05/99/179040599.db2.gz MAKATYAXAADBGU-QWHCGFSZSA-N 1 0 264.394 2.367 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000085370693 179040752 /nfs/dbraw/zinc/04/07/52/179040752.db2.gz NNUBJDDFSXIIMB-KBPBESRZSA-N 1 0 287.363 2.101 10 0 CEAERO COc1ccc([C@H](NC(=O)[C@H]2CCC[C@@H]2[NH3+])C2CC2)cc1 ZINC000085371937 179041703 /nfs/dbraw/zinc/04/17/03/179041703.db2.gz PHCOVKZSKXVABQ-HRCADAONSA-N 1 0 288.391 2.390 10 0 CEAERO Cc1occc1CN(C)C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085372391 179042101 /nfs/dbraw/zinc/04/21/01/179042101.db2.gz JIEZTDNOHMEBNQ-OLZOCXBDSA-N 1 0 250.342 2.064 10 0 CEAERO [NH3+]CCCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000061844168 362692803 /nfs/dbraw/zinc/69/28/03/362692803.db2.gz RHHAYSMJMSHLCF-UHFFFAOYSA-N 1 0 281.157 2.126 10 0 CEAERO CC(C)c1csc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])n1 ZINC000085372595 179042464 /nfs/dbraw/zinc/04/24/64/179042464.db2.gz ZDXYIRPLNFUDHE-RKDXNWHRSA-N 1 0 253.371 2.332 10 0 CEAERO CCN(C(=O)[C@@H]1CCC[C@@H]1[NH3+])c1ccccc1F ZINC000085373616 179042859 /nfs/dbraw/zinc/04/28/59/179042859.db2.gz GHWMORMSCUWPOJ-PWSUYJOCSA-N 1 0 250.317 2.306 10 0 CEAERO Cc1ccc(CNC(=O)[C@H]2CCCC[C@@H]2[NH3+])s1 ZINC000085373705 179042906 /nfs/dbraw/zinc/04/29/06/179042906.db2.gz PPDXFDTYCPWAND-RYUDHWBXSA-N 1 0 252.383 2.190 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000085374545 179043392 /nfs/dbraw/zinc/04/33/92/179043392.db2.gz WBSOIUSIOPCBGD-RYUDHWBXSA-N 1 0 286.297 2.449 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000085365821 179036390 /nfs/dbraw/zinc/03/63/90/179036390.db2.gz GJRBGYCRLGGQJN-PSASIEDQSA-N 1 0 288.269 2.493 10 0 CEAERO CCOCc1ccccc1CNC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085365399 179036580 /nfs/dbraw/zinc/03/65/80/179036580.db2.gz KOWNSTXXFPBDMC-HZPDHXFCSA-N 1 0 290.407 2.357 10 0 CEAERO [NH3+]Cc1ccc(N(C2CC2)S(=O)(=O)C2CCCC2)cc1 ZINC000097834608 185672865 /nfs/dbraw/zinc/67/28/65/185672865.db2.gz KMZWLMPGWMJEND-UHFFFAOYSA-N 1 0 294.420 2.387 10 0 CEAERO CC(C)C[C@@H]1CN[C@H](C)C[N@@H+]1CC1CCOCC1 ZINC000085454864 179068218 /nfs/dbraw/zinc/06/82/18/179068218.db2.gz ZPBXSYZKJQAJLZ-UKRRQHHQSA-N 1 0 254.418 2.121 10 0 CEAERO CCC[C@@H]1CN(CCOCC)C2(CCCC2)C[NH2+]1 ZINC000085466252 179071630 /nfs/dbraw/zinc/07/16/30/179071630.db2.gz WPSGMFWNRBUMNP-CQSZACIVSA-N 1 0 254.418 2.410 10 0 CEAERO CC[C@H](C)[C@H]1CN[C@H](C(C)C)C[N@@H+]1CCCOC ZINC000085466692 179071702 /nfs/dbraw/zinc/07/17/02/179071702.db2.gz SXTRVBSUVJISBB-SOUVJXGZSA-N 1 0 256.434 2.367 10 0 CEAERO CC[C@H](C)[C@@H]1CN(CCOCCC(C)C)CC[NH2+]1 ZINC000085449659 179064927 /nfs/dbraw/zinc/06/49/27/179064927.db2.gz SGIPRCBBLODRCU-GJZGRUSLSA-N 1 0 256.434 2.369 10 0 CEAERO CC[C@@H](C)[C@H]1CN(Cc2ccn(C(C)C)n2)CC[NH2+]1 ZINC000085450016 179065027 /nfs/dbraw/zinc/06/50/27/179065027.db2.gz WCQNTNLQHSVMTO-UKRRQHHQSA-N 1 0 264.417 2.284 10 0 CEAERO CC(C)C[C@@H]1C[NH2+]CCN1Cc1ccn(C(C)C)n1 ZINC000085453076 179066729 /nfs/dbraw/zinc/06/67/29/179066729.db2.gz AKOORMKKTDYDEM-OAHLLOKOSA-N 1 0 264.417 2.284 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C)CN1Cc1ccn(C(C)C)n1 ZINC000085453314 179066932 /nfs/dbraw/zinc/06/69/32/179066932.db2.gz VEOOEILYNYDTJJ-GXTWGEPZSA-N 1 0 250.390 2.036 10 0 CEAERO CCC(CC)n1ccc(CN2C[C@H](C)[NH2+]C[C@@H]2C)n1 ZINC000085453180 179067323 /nfs/dbraw/zinc/06/73/23/179067323.db2.gz LNAKILZWMRVXQN-STQMWFEESA-N 1 0 264.417 2.426 10 0 CEAERO C[C@@H]1C[N@H+](C[C@@H]2CCOC2)C2(CCCCC2)CN1 ZINC000085454508 179067768 /nfs/dbraw/zinc/06/77/68/179067768.db2.gz NVMNQRVSHBBHGI-KGLIPLIRSA-N 1 0 252.402 2.020 10 0 CEAERO CC[C@@H]1CN(CCOCC(F)(F)F)C(C)(C)C[NH2+]1 ZINC000085474125 179077751 /nfs/dbraw/zinc/07/77/51/179077751.db2.gz KMDWWMJFRKDWLQ-SNVBAGLBSA-N 1 0 268.323 2.028 10 0 CEAERO CC[C@H]1CN(CCOCC(F)(F)F)C(C)(C)C[NH2+]1 ZINC000085474129 179077843 /nfs/dbraw/zinc/07/78/43/179077843.db2.gz KMDWWMJFRKDWLQ-JTQLQIEISA-N 1 0 268.323 2.028 10 0 CEAERO CC[C@@H]1CN(CCCOC)[C@H](c2ccccc2)C[NH2+]1 ZINC000085473832 179078222 /nfs/dbraw/zinc/07/82/22/179078222.db2.gz BYPWIOFRTFJNNN-CVEARBPZSA-N 1 0 262.397 2.448 10 0 CEAERO C[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1CCOCC(F)(F)F ZINC000085475245 179078846 /nfs/dbraw/zinc/07/88/46/179078846.db2.gz ILDJAKAKGVAGNX-MNOVXSKESA-N 1 0 282.350 2.274 10 0 CEAERO COCC[N@@H+]1C[C@@H](C(C)(C)C)NC[C@@H]1CC(C)C ZINC000085476170 179079797 /nfs/dbraw/zinc/07/97/97/179079797.db2.gz OYIRMNVFABFGLL-KBPBESRZSA-N 1 0 256.434 2.367 10 0 CEAERO Cn1cc(CN2C[C@H](C(C)(C)C)[NH2+]CC2(C)C)cn1 ZINC000085486309 179080306 /nfs/dbraw/zinc/08/03/06/179080306.db2.gz BNBOHMBXKJZYKV-CYBMUJFWSA-N 1 0 264.417 2.019 10 0 CEAERO CCC[C@@H]1C[NH2+][C@](C)(CC)CN1CCn1cccn1 ZINC000085495016 179081908 /nfs/dbraw/zinc/08/19/08/179081908.db2.gz ASYYQLCJSSGNOK-HUUCEWRRSA-N 1 0 264.417 2.126 10 0 CEAERO CC[C@H](C)[C@H]1C[NH2+]C(C)(C)CN1Cc1cnn(C)c1 ZINC000085470374 179075329 /nfs/dbraw/zinc/07/53/29/179075329.db2.gz ICVIFIMAJGHODB-GXTWGEPZSA-N 1 0 264.417 2.019 10 0 CEAERO CC1(C)C[N@H+](CC2CCOCC2)C2(CCCC2)CN1 ZINC000085471471 179076371 /nfs/dbraw/zinc/07/63/71/179076371.db2.gz HRRBSRFZEKVEEI-UHFFFAOYSA-N 1 0 266.429 2.410 10 0 CEAERO CCC[C@H]1C[NH2+][C@H](C2CC2)CN1CCn1ccnc1C ZINC000085523436 179088753 /nfs/dbraw/zinc/08/87/53/179088753.db2.gz XWTZZHQBEYXSOP-HOTGVXAUSA-N 1 0 276.428 2.044 10 0 CEAERO CC[C@H]1C[NH2+][C@H](c2ccccc2)CN1Cc1ncccn1 ZINC000085505231 179085006 /nfs/dbraw/zinc/08/50/06/179085006.db2.gz XNIYCOAWKJYXFR-HOTGVXAUSA-N 1 0 282.391 2.402 10 0 CEAERO CC[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1CCOC(C)C ZINC000085509889 179085299 /nfs/dbraw/zinc/08/52/99/179085299.db2.gz HCNBFPVAXRRWQC-HUUCEWRRSA-N 1 0 254.418 2.264 10 0 CEAERO CC[C@H]1C[NH2+][C@](C)(C2CC2)CN1C[C@@H]1CCCCO1 ZINC000085510548 179086123 /nfs/dbraw/zinc/08/61/23/179086123.db2.gz CGOZZXRVKLYPFF-JYJNAYRXSA-N 1 0 266.429 2.408 10 0 CEAERO CC1(C)C[NH2+][C@@](C)(C2CC2)CN1C[C@@H]1CCCO1 ZINC000085514542 179086389 /nfs/dbraw/zinc/08/63/89/179086389.db2.gz YZQCUKPIUYBPFW-DZGCQCFKSA-N 1 0 252.402 2.018 10 0 CEAERO COCC[N@@H+]1C[C@](C)(C2CC2)NCC12CCCC2 ZINC000085515874 179087799 /nfs/dbraw/zinc/08/77/99/179087799.db2.gz JHGCRZWZMPZYNG-CQSZACIVSA-N 1 0 252.402 2.020 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@H](C2CC2)CN1CC(F)(F)F ZINC000085523717 179088390 /nfs/dbraw/zinc/08/83/90/179088390.db2.gz CVDJPZBBQOUYFA-GHMZBOCLSA-N 1 0 250.308 2.401 10 0 CEAERO CCC[C@@H]1C[NH2+][C@H](C2CC2)CN1Cc1ccccn1 ZINC000085523486 179088520 /nfs/dbraw/zinc/08/85/20/179088520.db2.gz ZAULLFZXYPMGIM-CVEARBPZSA-N 1 0 259.397 2.434 10 0 CEAERO CC[C@]1(C)C[N@H+](CC2CCOCC2)[C@H](C2CC2)CN1 ZINC000085495965 179082478 /nfs/dbraw/zinc/08/24/78/179082478.db2.gz YDZOCTBESMQBKR-JKSUJKDBSA-N 1 0 266.429 2.266 10 0 CEAERO CCC[C@H]1CNC2(CCCC2)C[N@@H+]1CCCOC ZINC000085497901 179083097 /nfs/dbraw/zinc/08/30/97/179083097.db2.gz KKXPXXCSJSHKQB-AWEZNQCLSA-N 1 0 254.418 2.410 10 0 CEAERO CC(=O)c1c(F)cccc1N1CC[C@@H]([NH+](C)C)C1 ZINC000062965985 362735500 /nfs/dbraw/zinc/73/55/00/362735500.db2.gz WFPUQCSLDJZMBA-LLVKDONJSA-N 1 0 250.317 2.169 10 0 CEAERO C[C@H]1CN[C@@H](c2ccccc2)C[N@@H+]1CC1CCOCC1 ZINC000085504874 179084321 /nfs/dbraw/zinc/08/43/21/179084321.db2.gz LDAZBRDCWLDSNX-WMLDXEAASA-N 1 0 274.408 2.448 10 0 CEAERO C[C@@]1(C2CC2)C[NH2+][C@@H](C2CC2)CN1CC(F)(F)F ZINC000085529457 179091548 /nfs/dbraw/zinc/09/15/48/179091548.db2.gz OTNMASNLTSAVAE-NEPJUHHUSA-N 1 0 262.319 2.401 10 0 CEAERO C[C@H]([NH3+])c1nc(CNCCC(F)(F)F)cs1 ZINC000085550429 179093054 /nfs/dbraw/zinc/09/30/54/179093054.db2.gz BWIFZKWGHHRQGJ-LURJTMIESA-N 1 0 253.293 2.205 10 0 CEAERO C[C@@H](Cc1ccc(F)cc1)n1cnc2c1CC[NH2+]C2 ZINC000085567394 179094912 /nfs/dbraw/zinc/09/49/12/179094912.db2.gz DCMMQXXARRLORG-NSHDSACASA-N 1 0 259.328 2.472 10 0 CEAERO C[C@H]([NH2+][C@H](CO)c1ccccc1)C(=O)Nc1ccccc1 ZINC000063002695 362741579 /nfs/dbraw/zinc/74/15/79/362741579.db2.gz DQXQHTMDPHFBGP-XJKSGUPXSA-N 1 0 284.359 2.337 10 0 CEAERO C[C@@H]1CC[NH2+][C@](C)(C2CC2)CN1CC(F)(F)F ZINC000085623853 179106713 /nfs/dbraw/zinc/10/67/13/179106713.db2.gz MGBRFRBXWZGYGA-KOLCDFICSA-N 1 0 250.308 2.401 10 0 CEAERO COc1cccc(CN2C[C@@H](C3CC3)[NH2+]CC[C@@H]2C)n1 ZINC000085626525 179106730 /nfs/dbraw/zinc/10/67/30/179106730.db2.gz HFLITRMRVOMXIZ-WFASDCNBSA-N 1 0 275.396 2.053 10 0 CEAERO O=C(NC[C@H]1CC[NH2+]C1)Nc1ccc(Br)cc1 ZINC000258197290 232526826 /nfs/dbraw/zinc/52/68/26/232526826.db2.gz PKNYVFKMCTUPRE-VIFPVBQESA-N 1 0 298.184 2.180 10 0 CEAERO COC(=O)CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000599397967 346513758 /nfs/dbraw/zinc/51/37/58/346513758.db2.gz WJDSTWFMRUAXAC-KFWWJZLASA-N 1 0 283.412 2.345 10 0 CEAERO CC(C)[C@H]1CN(Cc2cn3ccccc3n2)CCC[NH2+]1 ZINC000085608548 179101013 /nfs/dbraw/zinc/10/10/13/179101013.db2.gz OKOSEBAWRMNYNJ-OAHLLOKOSA-N 1 0 272.396 2.154 10 0 CEAERO CN(CC[C@@H]1CSCC[NH2+]1)Cc1cccs1 ZINC000085615399 179104774 /nfs/dbraw/zinc/10/47/74/179104774.db2.gz AVZRCYUMEXCRGW-LLVKDONJSA-N 1 0 256.440 2.275 10 0 CEAERO CC[C@@H](C)NC(=O)CC[NH2+][C@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085674942 179111809 /nfs/dbraw/zinc/11/18/09/179111809.db2.gz USQDZTDIZWIZAT-DHMWGJHJSA-N 1 0 282.428 2.084 10 0 CEAERO Cc1ncc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)s1 ZINC000085636574 179109752 /nfs/dbraw/zinc/10/97/52/179109752.db2.gz LQEVHUWJWRULQN-SRVKXCTJSA-N 1 0 252.383 2.355 10 0 CEAERO Cc1cc(C[NH2+]C(C)(C)C(N)=O)ccc1Br ZINC000085706807 179121692 /nfs/dbraw/zinc/12/16/92/179121692.db2.gz AASJLNQROJDJII-UHFFFAOYSA-N 1 0 285.185 2.111 10 0 CEAERO Cc1cc([C@@H]([NH2+]C2CC2)C(N)=O)ccc1Br ZINC000085707286 179122435 /nfs/dbraw/zinc/12/24/35/179122435.db2.gz WXTFFUIVIMHQDO-LLVKDONJSA-N 1 0 283.169 2.036 10 0 CEAERO Cc1[nH+]c(-c2ccc3c(c2)CCCN3C)c(N)n1C ZINC000106830804 136554696 /nfs/dbraw/zinc/55/46/96/136554696.db2.gz NJXOTCIBQCWXRV-UHFFFAOYSA-N 1 0 256.353 2.360 10 0 CEAERO CCOC(=O)c1ccc(NCC2(C)CC[NH2+]CC2)nc1 ZINC000129475650 365863072 /nfs/dbraw/zinc/86/30/72/365863072.db2.gz QVPZRVSFKCTPAY-UHFFFAOYSA-N 1 0 277.368 2.060 10 0 CEAERO C[NH2+][C@@H](Cc1cc(F)ccc1Br)CN(C)C ZINC000085798778 179172703 /nfs/dbraw/zinc/17/27/03/179172703.db2.gz ZMACMTGFWKDLCT-NSHDSACASA-N 1 0 289.192 2.280 10 0 CEAERO CN(C)C[C@@H]([NH3+])Cc1ccc(F)cc1Br ZINC000085798111 179173127 /nfs/dbraw/zinc/17/31/27/179173127.db2.gz PUAIQSHZQRPOGN-JTQLQIEISA-N 1 0 275.165 2.020 10 0 CEAERO C[NH2+][C@@H](Cc1ccc(Br)s1)CN(C)C ZINC000085798880 179173241 /nfs/dbraw/zinc/17/32/41/179173241.db2.gz WTYJTPDIBNDZJP-QMMMGPOBSA-N 1 0 277.231 2.203 10 0 CEAERO CN(Cc1ccc(C(C)(C)C)cc1)C(=O)[C@]1([NH3+])CCOC1 ZINC000085875003 179193948 /nfs/dbraw/zinc/19/39/48/179193948.db2.gz OXYKZLATWOBNGF-KRWDZBQOSA-N 1 0 290.407 2.060 10 0 CEAERO CC[C@@H](C[NH3+])[C@H](O)c1cc(Br)ccc1OC ZINC000085902376 179196169 /nfs/dbraw/zinc/19/61/69/179196169.db2.gz HNKWDPZLGVZVJN-UFBFGSQYSA-N 1 0 288.185 2.476 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1CNC(=O)c1c(F)cccc1F ZINC000085965476 179205512 /nfs/dbraw/zinc/20/55/12/179205512.db2.gz QNABIBJFVBPOBX-JOYOIKCWSA-N 1 0 268.307 2.212 10 0 CEAERO O[C@H]1CCCC[C@@H]1C[NH2+]Cc1[nH]nnc1-c1ccccc1 ZINC000085973580 179207402 /nfs/dbraw/zinc/20/74/02/179207402.db2.gz WSALWYFJFWAKQI-HIFRSBDPSA-N 1 0 286.379 2.112 10 0 CEAERO CCc1ncc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)s1 ZINC000085976171 179207728 /nfs/dbraw/zinc/20/77/28/179207728.db2.gz PAEGNJSPUNHBJG-JQWIXIFHSA-N 1 0 254.399 2.346 10 0 CEAERO Cc1ccc(NC(=O)[C@@]2([NH3+])CCOC2)cc1C(F)(F)F ZINC000085913209 179197842 /nfs/dbraw/zinc/19/78/42/179197842.db2.gz KGCUPZSJILWJGA-GFCCVEGCSA-N 1 0 288.269 2.070 10 0 CEAERO CC(C)(C[NH3+])[C@@H](O)c1cccc(Br)c1 ZINC000085915018 179198075 /nfs/dbraw/zinc/19/80/75/179198075.db2.gz BIIDJXXDZIYGAG-JTQLQIEISA-N 1 0 258.159 2.467 10 0 CEAERO CCC[NH2+][C@H](CCO)C[S@@](=O)c1ccccc1Cl ZINC000085926319 179201856 /nfs/dbraw/zinc/20/18/56/179201856.db2.gz BFWGZBZEDKPVJF-ZMZPIMSZSA-N 1 0 289.828 2.198 10 0 CEAERO C[C@H]1CN(Cc2[nH+]c(NN)ccc2Cl)C[C@H]1C ZINC000086012116 179214573 /nfs/dbraw/zinc/21/45/73/179214573.db2.gz OFHQANUGDCXTFJ-DTORHVGOSA-N 1 0 254.765 2.108 10 0 CEAERO O=C(C[NH2+]C[C@H]1CCCC[C@@H]1O)Nc1cccc(Cl)c1 ZINC000085985785 179211467 /nfs/dbraw/zinc/21/14/67/179211467.db2.gz HVMICDOZFNZCSY-RISCZKNCSA-N 1 0 296.798 2.419 10 0 CEAERO C[NH2+][C@@H](c1ccc2c(c1)CCCC2)[C@H]1CCS(=O)(=O)C1 ZINC000086020332 179217835 /nfs/dbraw/zinc/21/78/35/179217835.db2.gz SYLYDXMIMIFCAT-HOTGVXAUSA-N 1 0 293.432 2.261 10 0 CEAERO O[C@@H](C[NH2+]C[C@@H]1CCCC[C@@H]1O)c1c(F)cccc1F ZINC000085986417 179212014 /nfs/dbraw/zinc/21/20/14/179212014.db2.gz DTVHBMJOIXIFIQ-BPNCWPANSA-N 1 0 285.334 2.139 10 0 CEAERO CCC[C@@H](CC[NH3+])CCC(=O)NC[C@H]1CCCC[C@@H]1O ZINC000085987217 179212211 /nfs/dbraw/zinc/21/22/11/179212211.db2.gz WVMRAKPJJHFSBZ-KFWWJZLASA-N 1 0 284.444 2.199 10 0 CEAERO CC[NH2+][C@H]1CC[C@@H](Sc2nnc(N(C)C)s2)[C@@H]1C ZINC000086043708 179222740 /nfs/dbraw/zinc/22/27/40/179222740.db2.gz XGGBAHXZZTUIRP-KXUCPTDWSA-N 1 0 286.470 2.473 10 0 CEAERO C[C@@H]1CC[C@@H](NC(=O)COc2ccc(C[NH3+])cc2)[C@@H]1C ZINC000086068827 179224562 /nfs/dbraw/zinc/22/45/62/179224562.db2.gz ISQUFRSWCDTCMP-LALPHHSUSA-N 1 0 276.380 2.075 10 0 CEAERO CC[NH2+][C@@H](c1sccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000086022262 179218561 /nfs/dbraw/zinc/21/85/61/179218561.db2.gz IHSHNEAJCFPUBB-GHMZBOCLSA-N 1 0 273.423 2.142 10 0 CEAERO CCc1ccc(CC)c([C@H]([NH3+])[C@H]2CCS(=O)(=O)C2)c1 ZINC000086022895 179218568 /nfs/dbraw/zinc/21/85/68/179218568.db2.gz AKHPKCVPLBNPMQ-DZGCQCFKSA-N 1 0 281.421 2.246 10 0 CEAERO CCC[NH2+][C@H](c1cc(C)oc1C)[C@H]1CCS(=O)(=O)C1 ZINC000086022391 179218758 /nfs/dbraw/zinc/21/87/58/179218758.db2.gz HUSPGDURVDVXQR-JSGCOSHPSA-N 1 0 285.409 2.372 10 0 CEAERO CCC[NH2+][C@@H](Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000086025876 179219407 /nfs/dbraw/zinc/21/94/07/179219407.db2.gz SONTXSBLLBUCHH-AAEUAGOBSA-N 1 0 287.450 2.094 10 0 CEAERO C[NH2+][C@H]1CC[C@H](S(=O)(=O)c2ccc(F)c(F)c2)[C@@H]1C ZINC000086041160 179222083 /nfs/dbraw/zinc/22/20/83/179222083.db2.gz KADOXBWOSHFUJH-JCOFBHIZSA-N 1 0 289.347 2.125 10 0 CEAERO CCn1cc(N2CC[NH2+][C@@](C)(c3ccccc3)C2)cn1 ZINC000086127907 179235387 /nfs/dbraw/zinc/23/53/87/179235387.db2.gz GLYGIKHTWKCUNX-MRXNPFEDSA-N 1 0 270.380 2.228 10 0 CEAERO COc1ccc(CCN2CC[NH2+][C@H](C(C)C)C2)cc1OC ZINC000086123821 179235642 /nfs/dbraw/zinc/23/56/42/179235642.db2.gz SOJVQJIQXFCGBQ-HNNXBMFYSA-N 1 0 292.423 2.176 10 0 CEAERO CCOCCCN1CC[NH2+][C@H](C2CCCCC2)C1 ZINC000086125630 179235814 /nfs/dbraw/zinc/23/58/14/179235814.db2.gz LHCOVLWCOOGNCN-HNNXBMFYSA-N 1 0 254.418 2.267 10 0 CEAERO c1coc(CN2CC[NH2+][C@@H](Cc3ccccc3)C2)c1 ZINC000086124608 179236040 /nfs/dbraw/zinc/23/60/40/179236040.db2.gz ZCYPGYBEUAEXNS-HNNXBMFYSA-N 1 0 256.349 2.296 10 0 CEAERO CC[C@@]1(C)CN(CCc2ccc(F)cc2)CC[NH2+]1 ZINC000086124020 179236137 /nfs/dbraw/zinc/23/61/37/179236137.db2.gz QNJNXJSXEBJNQA-HNNXBMFYSA-N 1 0 250.361 2.442 10 0 CEAERO CC(C)(C)[NH2+]CC(=O)Nc1ncccc1Br ZINC000086137864 179236254 /nfs/dbraw/zinc/23/62/54/179236254.db2.gz PBYQUOAKLOJUKO-UHFFFAOYSA-N 1 0 286.173 2.171 10 0 CEAERO CNc1cc[nH+]c(Cn2cc(Br)cn2)c1 ZINC000086134785 179236604 /nfs/dbraw/zinc/23/66/04/179236604.db2.gz POORUGDOWHFIHZ-UHFFFAOYSA-N 1 0 267.130 2.131 10 0 CEAERO c1ccc(CCN2CC[NH2+][C@@H](C3CCCCC3)C2)nc1 ZINC000086130639 179236789 /nfs/dbraw/zinc/23/67/89/179236789.db2.gz ADPGGDCVHJSSFD-QGZVFWFLSA-N 1 0 273.424 2.478 10 0 CEAERO Cc1ncc(CN2CC[NH2+][C@@H](Cc3ccccc3)C2)s1 ZINC000086144169 179237883 /nfs/dbraw/zinc/23/78/83/179237883.db2.gz NXIZQLSZGHGZKD-HNNXBMFYSA-N 1 0 287.432 2.468 10 0 CEAERO COCCCC[N@@H+]1CCN[C@@](C)(c2ccccc2)C1 ZINC000086145855 179238332 /nfs/dbraw/zinc/23/83/32/179238332.db2.gz QPFCOIFTILCUAY-MRXNPFEDSA-N 1 0 262.397 2.234 10 0 CEAERO C[C@H]1[C@H](NC(=O)c2c[nH+]c(NN)c(Cl)c2)CC[C@@H]1C ZINC000086082071 179228002 /nfs/dbraw/zinc/22/80/02/179228002.db2.gz CJOHPGHSPWGAKR-VAOFZXAKSA-N 1 0 282.775 2.185 10 0 CEAERO C[C@H]1[C@H](NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CC[C@@H]1C ZINC000086082259 179228263 /nfs/dbraw/zinc/22/82/63/179228263.db2.gz IUASWUYLKIRQTH-ZUWCUPBKSA-N 1 0 252.402 2.445 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)Nc2ccccc2Br)C1 ZINC000086089434 179228708 /nfs/dbraw/zinc/22/87/08/179228708.db2.gz TZICVGDMESUDDY-BDAKNGLRSA-N 1 0 281.153 2.291 10 0 CEAERO Cc1cc(CN2CC[NH2+][C@@](C)(c3ccccc3)C2)no1 ZINC000086146034 179238728 /nfs/dbraw/zinc/23/87/28/179238728.db2.gz ICGIJYNPPCFEGN-MRXNPFEDSA-N 1 0 271.364 2.304 10 0 CEAERO CC[C@H]1CC[C@H](NC(=O)C2CCC([NH3+])CC2)[C@@H]1C ZINC000086094446 179228898 /nfs/dbraw/zinc/22/88/98/179228898.db2.gz LEZXNKFHDQBDJG-CJQNXBEJSA-N 1 0 252.402 2.445 10 0 CEAERO CC[C@@H]1CC[C@H](NC(=O)C[C@@H]2CCC[NH2+]C2)[C@@H]1C ZINC000086094181 179228972 /nfs/dbraw/zinc/22/89/72/179228972.db2.gz UFNADIGFJQJIAZ-RQJABVFESA-N 1 0 252.402 2.317 10 0 CEAERO CC[C@@H]1CN(CCc2cc(F)cc(F)c2)CC[NH2+]1 ZINC000086147681 179239931 /nfs/dbraw/zinc/23/99/31/179239931.db2.gz FBPNXQQXHQFDTO-CQSZACIVSA-N 1 0 254.324 2.191 10 0 CEAERO CC[C@@H](C)[C@H]1CN(c2cnn(C(C)C)c2)CC[NH2+]1 ZINC000086148266 179239971 /nfs/dbraw/zinc/23/99/71/179239971.db2.gz SDRLGHDHAQYVDY-TZMCWYRMSA-N 1 0 250.390 2.288 10 0 CEAERO c1nc(CCN2CC[NH2+]C3(CCCCC3)C2)cs1 ZINC000086149457 179240335 /nfs/dbraw/zinc/24/03/35/179240335.db2.gz ZEGOHPJKZXKDJM-UHFFFAOYSA-N 1 0 265.426 2.294 10 0 CEAERO CCn1cc(N2C[C@@H](C)[NH2+]C[C@@H]2c2ccccc2)cn1 ZINC000086154283 179241660 /nfs/dbraw/zinc/24/16/60/179241660.db2.gz PLKZCGSWVTVTSK-CZUORRHYSA-N 1 0 270.380 2.442 10 0 CEAERO CC[C@@H]1CN[C@H](C(C)C)C[N@@H+]1CC[C@@H]1CCCO1 ZINC000086173613 179245132 /nfs/dbraw/zinc/24/51/32/179245132.db2.gz HRNRTXPUVALYBD-ILXRZTDVSA-N 1 0 254.418 2.264 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C(C)C)CN1Cc1ccc(OC)nc1 ZINC000086175254 179245467 /nfs/dbraw/zinc/24/54/67/179245467.db2.gz PSEDWXXHEVBSBW-CABCVRRESA-N 1 0 277.412 2.299 10 0 CEAERO C[C@@H]1CN(CCc2cc(F)cc(F)c2)[C@@H](C)C[NH2+]1 ZINC000086174803 179245482 /nfs/dbraw/zinc/24/54/82/179245482.db2.gz JBFODKXXSJXJKB-MNOVXSKESA-N 1 0 254.324 2.190 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C(C)C)CN1Cc1ccnc(OC)c1 ZINC000086175225 179245546 /nfs/dbraw/zinc/24/55/46/179245546.db2.gz CHVFKGLLOBLAEU-GJZGRUSLSA-N 1 0 277.412 2.299 10 0 CEAERO COc1ccc(CCN2CC[NH2+]C[C@H]2C(C)C)cc1OC ZINC000086176946 179246663 /nfs/dbraw/zinc/24/66/63/179246663.db2.gz SBULPRJZHWOQIY-HNNXBMFYSA-N 1 0 292.423 2.176 10 0 CEAERO CO[C@H]1CCC[C@@H]1N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000086177637 179246822 /nfs/dbraw/zinc/24/68/22/179246822.db2.gz LNRYEPXNFBHWHJ-XHSDSOJGSA-N 1 0 260.381 2.200 10 0 CEAERO C[C@]1(C2CC2)CN(C[C@@H]2Cc3ccccc3O2)CC[NH2+]1 ZINC000086146980 179239721 /nfs/dbraw/zinc/23/97/21/179239721.db2.gz APLIBYJJULSZBI-DOTOQJQBSA-N 1 0 272.392 2.064 10 0 CEAERO CCC[C@@H]1CN(CCc2nc(C)cs2)CC[NH2+]1 ZINC000086148867 179239864 /nfs/dbraw/zinc/23/98/64/179239864.db2.gz QALASTPDDHIGON-GFCCVEGCSA-N 1 0 253.415 2.068 10 0 CEAERO C[C@@H]([C@@H]1CCCO1)N1C[C@](C)(C2CC2)[NH2+]C[C@@H]1C ZINC000086218162 179249866 /nfs/dbraw/zinc/24/98/66/179249866.db2.gz PUNYMNBAIQLWMV-NZBPQXDJSA-N 1 0 252.402 2.016 10 0 CEAERO CC[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1CCc1ccccn1 ZINC000086221422 179250519 /nfs/dbraw/zinc/25/05/19/179250519.db2.gz CYYQFPHHBWBAAN-IAGOWNOFSA-N 1 0 273.424 2.477 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C2CC2)CN1CCc1ccncc1 ZINC000086223329 179251683 /nfs/dbraw/zinc/25/16/83/179251683.db2.gz UQFBJGGCEWQPEC-HOTGVXAUSA-N 1 0 259.397 2.087 10 0 CEAERO O=C1NCCC[C@H]1[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000129752680 365892269 /nfs/dbraw/zinc/89/22/69/365892269.db2.gz AQKODDVFCQQVLK-CHWSQXEVSA-N 1 0 264.756 2.196 10 0 CEAERO Cc1ncc(CN2C[C@@H](C3CC3)[NH2+]C[C@@H]2C)s1 ZINC000086226777 179253052 /nfs/dbraw/zinc/25/30/52/179253052.db2.gz KWYXQDDEDCJRRY-ZANVPECISA-N 1 0 251.399 2.024 10 0 CEAERO CC(C)C[C@@H]1CN(Cc2nccs2)[C@@H](C)C[NH2+]1 ZINC000086226867 179253543 /nfs/dbraw/zinc/25/35/43/179253543.db2.gz ZWEPTVINCGPMHV-NWDGAFQWSA-N 1 0 253.415 2.352 10 0 CEAERO [NH3+][C@H]1CCO[C@@H]1c1ccc(F)c(Br)c1 ZINC000086249130 179255136 /nfs/dbraw/zinc/25/51/36/179255136.db2.gz KWSOPTRAZDPULB-VHSXEESVSA-N 1 0 260.106 2.377 10 0 CEAERO CC[C@H]1CNC2(CCCC2)C[N@@H+]1CCCCOC ZINC000086259462 179258052 /nfs/dbraw/zinc/25/80/52/179258052.db2.gz WQXXRHLZHDMJGB-AWEZNQCLSA-N 1 0 254.418 2.410 10 0 CEAERO C[C@@H]1CNC2(CCCCC2)C[N@@H+]1C[C@@H]1CCCOC1 ZINC000086260105 179259022 /nfs/dbraw/zinc/25/90/22/179259022.db2.gz GKCJUYNKQBWTBF-CABCVRRESA-N 1 0 266.429 2.410 10 0 CEAERO CC(C)[C@H]1CN[C@@H](C2CC2)C[N@@H+]1C[C@@H]1CCCOC1 ZINC000086260104 179259090 /nfs/dbraw/zinc/25/90/90/179259090.db2.gz MGLAEOUXNUXQAV-NUEKZKHPSA-N 1 0 266.429 2.121 10 0 CEAERO CC[C@@H]1CN[C@@](C)(CC)C[N@@H+]1C[C@@H]1CCCOC1 ZINC000086260119 179259141 /nfs/dbraw/zinc/25/91/41/179259141.db2.gz CRODZUOMMZYCDQ-ZNMIVQPWSA-N 1 0 254.418 2.266 10 0 CEAERO C[C@@H]1CNC2(CCCC2)C[N@@H+]1C[C@@H]1CCCOC1 ZINC000086260145 179259157 /nfs/dbraw/zinc/25/91/57/179259157.db2.gz YOEYITRWDPRGNR-KGLIPLIRSA-N 1 0 252.402 2.020 10 0 CEAERO CC[C@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1cc(C)on1 ZINC000086259780 179259204 /nfs/dbraw/zinc/25/92/04/179259204.db2.gz XYNHLVIWVLNYER-LSDHHAIUSA-N 1 0 263.385 2.336 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1Cc1cnc(C)cn1 ZINC000086263067 179260136 /nfs/dbraw/zinc/26/01/36/179260136.db2.gz WFECDDSVWQMSBU-HUUCEWRRSA-N 1 0 276.428 2.384 10 0 CEAERO CC[C@@H]1CN(C[C@@H]2Cc3ccccc3O2)[C@@H](CC)C[NH2+]1 ZINC000086261704 179260473 /nfs/dbraw/zinc/26/04/73/179260473.db2.gz IKLRVCXICREFQC-PMPSAXMXSA-N 1 0 274.408 2.453 10 0 CEAERO C[C@@H]1C[NH2+]C2(CCCC2)CN1CCc1cscn1 ZINC000086265597 179261831 /nfs/dbraw/zinc/26/18/31/179261831.db2.gz BWSSUCYIHYNGKU-GFCCVEGCSA-N 1 0 265.426 2.292 10 0 CEAERO CC[C@H]1CNC(CC)(CC)C[N@@H+]1[C@@H]1CCCOC1 ZINC000086265160 179262003 /nfs/dbraw/zinc/26/20/03/179262003.db2.gz KSMRHFGBUXLULI-UONOGXRCSA-N 1 0 254.418 2.408 10 0 CEAERO C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccccc1Br ZINC000086270604 179262272 /nfs/dbraw/zinc/26/22/72/179262272.db2.gz MELXDHWYDMHLHJ-RKDXNWHRSA-N 1 0 283.169 2.386 10 0 CEAERO CCC[C@H]1CN(Cc2nc(C)cs2)CCC[NH2+]1 ZINC000086290046 179264984 /nfs/dbraw/zinc/26/49/84/179264984.db2.gz ZJSPLBDXNIIXIR-LBPRGKRZSA-N 1 0 253.415 2.416 10 0 CEAERO [NH3+][C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1ccc2ccccc2n1 ZINC000086317433 179270144 /nfs/dbraw/zinc/27/01/44/179270144.db2.gz YWVVSAWSEIZGHV-DYVFJYSZSA-N 1 0 281.359 2.388 10 0 CEAERO CC(C)N1CCO[C@H](C[NH3+])[C@@H]1c1ccc2ccccc2n1 ZINC000086317397 179270287 /nfs/dbraw/zinc/27/02/87/179270287.db2.gz PNGPSQHCZIPTGK-SJORKVTESA-N 1 0 285.391 2.344 10 0 CEAERO COC(=O)c1cccnc1C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000336835015 365903722 /nfs/dbraw/zinc/90/37/22/365903722.db2.gz SZQQPPUZPLRINS-STQMWFEESA-N 1 0 274.364 2.490 10 0 CEAERO C[C@@H]1CCN(c2nc(Br)cs2)C[C@@H]1[NH3+] ZINC000086290888 179265821 /nfs/dbraw/zinc/26/58/21/179265821.db2.gz BTPNCHMYEYTPHR-RQJHMYQMSA-N 1 0 276.203 2.079 10 0 CEAERO Cc1ccc(CN2CCC[NH2+][C@](C)(C3CC3)C2)cn1 ZINC000086296264 179267911 /nfs/dbraw/zinc/26/79/11/179267911.db2.gz OTGJUBKMNQMCET-INIZCTEOSA-N 1 0 259.397 2.354 10 0 CEAERO CCC[C@@H]1CN(CCc2nc(C)cs2)CCC[NH2+]1 ZINC000086296768 179267916 /nfs/dbraw/zinc/26/79/16/179267916.db2.gz FWUZZIFLBWAZMM-CYBMUJFWSA-N 1 0 267.442 2.458 10 0 CEAERO Cc1cccc(CN2CCC[NH2+]C3(CCCC3)C2)n1 ZINC000086293951 179268021 /nfs/dbraw/zinc/26/80/21/179268021.db2.gz TUJJFXMYVOFNBF-UHFFFAOYSA-N 1 0 259.397 2.498 10 0 CEAERO CCC[C@H]1CN(C[C@@H]2Cc3ccccc3O2)CCC[NH2+]1 ZINC000086293854 179268194 /nfs/dbraw/zinc/26/81/94/179268194.db2.gz RBMJTKYIAVYNDE-HOTGVXAUSA-N 1 0 274.408 2.454 10 0 CEAERO CC(C)[C@H]1CN([C@@H]2COc3ccccc32)CCC[NH2+]1 ZINC000086299089 179268880 /nfs/dbraw/zinc/26/88/80/179268880.db2.gz SICWRMOQLNHHGD-HUUCEWRRSA-N 1 0 260.381 2.440 10 0 CEAERO [NH3+][C@H]1CC[C@@H](OCc2ccc(Br)o2)C1 ZINC000086405833 179285876 /nfs/dbraw/zinc/28/58/76/179285876.db2.gz WFDPIBBDGJQYEC-JGVFFNPUSA-N 1 0 260.131 2.439 10 0 CEAERO CC[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)[C@H](CC)C[NH2+]1 ZINC000086447290 179295985 /nfs/dbraw/zinc/29/59/85/179295985.db2.gz DLYRDPVVYBKVBX-CHWSQXEVSA-N 1 0 290.363 2.018 10 0 CEAERO C[NH2+][C@H]1CCCc2sc(N3CCOC(C)(C)C3)nc21 ZINC000086442916 179293773 /nfs/dbraw/zinc/29/37/73/179293773.db2.gz LOFQIECSVVOIFJ-JTQLQIEISA-N 1 0 281.425 2.355 10 0 CEAERO CC[C@H]1CN(C(=O)c2cccc(N(C)C)c2)[C@@H](CC)C[NH2+]1 ZINC000086446368 179294627 /nfs/dbraw/zinc/29/46/27/179294627.db2.gz LQQAAHDXYRUFBR-GJZGRUSLSA-N 1 0 289.423 2.355 10 0 CEAERO CC[C@@H]1CN(C(=O)c2ccccc2F)[C@H](CC)C[NH2+]1 ZINC000086447264 179295553 /nfs/dbraw/zinc/29/55/53/179295553.db2.gz IABHTNPBBFOBCN-VXGBXAGGSA-N 1 0 264.344 2.428 10 0 CEAERO CCC[NH2+][C@@H]1CCCc2sc(CS(C)(=O)=O)nc21 ZINC000086439758 179292951 /nfs/dbraw/zinc/29/29/51/179292951.db2.gz LVVODKUUHWWJPU-SECBINFHSA-N 1 0 288.438 2.065 10 0 CEAERO C[C@@]1(c2nc([C@H]3Cc4ccccc43)no2)CCC[NH2+]1 ZINC000086486595 179302018 /nfs/dbraw/zinc/30/20/18/179302018.db2.gz LYWHRNMTZFRKSK-WFASDCNBSA-N 1 0 255.321 2.356 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCC2(CCC2)CC1 ZINC000308703727 539577514 /nfs/dbraw/zinc/57/75/14/539577514.db2.gz WPUPRKDYWNUKDF-CHWSQXEVSA-N 1 0 250.386 2.167 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccnc([C@@H]2Cc3ccccc32)n1 ZINC000086490802 179302591 /nfs/dbraw/zinc/30/25/91/179302591.db2.gz YFRIWRLTTAGUNH-IUODEOHRSA-N 1 0 253.349 2.444 10 0 CEAERO C[C@H](c1nccs1)N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000086510916 179304512 /nfs/dbraw/zinc/30/45/12/179304512.db2.gz YAWRWVQILRITGY-GRYCIOLGSA-N 1 0 251.399 2.421 10 0 CEAERO C[C@]1(c2cc(F)c(Cl)cc2Cl)CNC(=[NH2+])N1 ZINC000086457658 179296186 /nfs/dbraw/zinc/29/61/86/179296186.db2.gz NRXLOZNPBDMBFQ-SNVBAGLBSA-N 1 0 262.115 2.266 10 0 CEAERO C[NH2+][C@H](Cc1ccccc1Br)C(OC)OC ZINC000086452270 179296193 /nfs/dbraw/zinc/29/61/93/179296193.db2.gz LVQNNGCAOFUJFI-LLVKDONJSA-N 1 0 288.185 2.199 10 0 CEAERO CC[C@@H]1CN(Cc2noc(CC(C)C)n2)[C@@H](CC)C[NH2+]1 ZINC000086464124 179296200 /nfs/dbraw/zinc/29/62/00/179296200.db2.gz HRPUZDXIPALQPH-OLZOCXBDSA-N 1 0 280.416 2.231 10 0 CEAERO COC(OC)[C@H]([NH3+])Cc1ccc(Br)cc1F ZINC000086451658 179296225 /nfs/dbraw/zinc/29/62/25/179296225.db2.gz QIONOEYPQXSSIV-SNVBAGLBSA-N 1 0 292.148 2.077 10 0 CEAERO C[NH2+][C@@H](Cc1ccc(Br)cc1)C(OC)OC ZINC000086452126 179296569 /nfs/dbraw/zinc/29/65/69/179296569.db2.gz HPKBTUOTAZHJBI-NSHDSACASA-N 1 0 288.185 2.199 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCC2(CCC2)CC1 ZINC000308703744 539577830 /nfs/dbraw/zinc/57/78/30/539577830.db2.gz WPUPRKDYWNUKDF-STQMWFEESA-N 1 0 250.386 2.167 10 0 CEAERO C[NH2+][C@@H](COC)c1cc(F)cc(Br)c1 ZINC000086526434 179305788 /nfs/dbraw/zinc/30/57/88/179305788.db2.gz QQTJYSNEKTUHAA-JTQLQIEISA-N 1 0 262.122 2.495 10 0 CEAERO CC[C@@H]1CN(Cc2nc(-c3ccco3)no2)[C@@H](CC)C[NH2+]1 ZINC000086465657 179297303 /nfs/dbraw/zinc/29/73/03/179297303.db2.gz RAOHCOMNIORMQT-NEPJUHHUSA-N 1 0 290.367 2.292 10 0 CEAERO CCCn1cc(Cl)cc1C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000086467723 179298092 /nfs/dbraw/zinc/29/80/92/179298092.db2.gz VWSKIZRLTYMNTR-MNOVXSKESA-N 1 0 283.803 2.374 10 0 CEAERO C[C@H]1CN(Cc2cc(Cl)cc3c2OCOC3)[C@@H](C)C[NH2+]1 ZINC000086469295 179299691 /nfs/dbraw/zinc/29/96/91/179299691.db2.gz BURNGEXOQZYGBH-QWRGUYRKSA-N 1 0 296.798 2.389 10 0 CEAERO CCCCC1CCC([NH3+])([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000086566148 179307625 /nfs/dbraw/zinc/30/76/25/179307625.db2.gz BZUBWXUEELWJIU-ROKHWSDSSA-N 1 0 273.442 2.499 10 0 CEAERO CCC[C@](C)([NH3+])[C@H]1CS(=O)(=O)c2ccccc21 ZINC000086566765 179307757 /nfs/dbraw/zinc/30/77/57/179307757.db2.gz LXAIGNBREDYYHD-AAEUAGOBSA-N 1 0 253.367 2.075 10 0 CEAERO CO[C@@H](C)[C@@H]([NH3+])Cc1ccc(F)c(Br)c1 ZINC000086576147 179308749 /nfs/dbraw/zinc/30/87/49/179308749.db2.gz CBTBFBJORARQRF-CPCISQLKSA-N 1 0 276.149 2.493 10 0 CEAERO Cc1cnc([C@@H](C)NC(=O)[C@@](C)([NH3+])c2ccccc2)o1 ZINC000231744755 539580832 /nfs/dbraw/zinc/58/08/32/539580832.db2.gz JCVSQRRRLWASNI-ABAIWWIYSA-N 1 0 273.336 2.034 10 0 CEAERO COc1ccc([C@@H](C[NH3+])N2CCOCC2(C)C)cc1Cl ZINC000086586609 179309807 /nfs/dbraw/zinc/30/98/07/179309807.db2.gz YFAYFGIKOPIQHG-CYBMUJFWSA-N 1 0 298.814 2.459 10 0 CEAERO CCCn1c2ccc(C[NH3+])cc2nc1-c1cc[nH]n1 ZINC000086641294 179314751 /nfs/dbraw/zinc/31/47/51/179314751.db2.gz NGJDICCFUHZXBB-UHFFFAOYSA-N 1 0 255.325 2.295 10 0 CEAERO COc1ccc([C@@H]2C[NH2+]C[C@@H](C)CO2)c(OC)c1 ZINC000086633887 179314934 /nfs/dbraw/zinc/31/49/34/179314934.db2.gz ZWJLVBLWKVHQQK-YGRLFVJLSA-N 1 0 251.326 2.001 10 0 CEAERO CN(C)Cc1nc2cc(C[NH3+])ccc2n1C(C)(C)C ZINC000086642004 179315283 /nfs/dbraw/zinc/31/52/83/179315283.db2.gz ILPPPTGRQFXMCM-UHFFFAOYSA-N 1 0 260.385 2.312 10 0 CEAERO C[NH+]1CCC(Oc2nc(Cl)ncc2Cl)CC1 ZINC000086621740 179311673 /nfs/dbraw/zinc/31/16/73/179311673.db2.gz BSDFZWWXCDUWQO-UHFFFAOYSA-N 1 0 262.140 2.256 10 0 CEAERO [NH3+]CCCOCc1cc(F)cc(Br)c1 ZINC000086694901 179321132 /nfs/dbraw/zinc/32/11/32/179321132.db2.gz KEMNZZOYODWPLF-UHFFFAOYSA-N 1 0 262.122 2.454 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccccc1)[C@@H]1CN(CC)CCO1 ZINC000086654269 179316542 /nfs/dbraw/zinc/31/65/42/179316542.db2.gz OJIVXIHFRVVDPP-IRXDYDNUSA-N 1 0 276.424 2.318 10 0 CEAERO CC[NH2+][C@@H](Cc1ccccc1)[C@H]1CN(C(C)C)CCO1 ZINC000086655226 179316553 /nfs/dbraw/zinc/31/65/53/179316553.db2.gz QWLJQNJLESQNFE-DLBZAZTESA-N 1 0 276.424 2.316 10 0 CEAERO CCCN1CCO[C@@H]([C@@H](Cc2ccccc2)[NH2+]CC)C1 ZINC000086654744 179316616 /nfs/dbraw/zinc/31/66/16/179316616.db2.gz YXYSMUCYHHCKTE-IAGOWNOFSA-N 1 0 276.424 2.318 10 0 CEAERO CS(=O)(=O)[C@H]1CCC[C@H]1[NH2+]CCC1=CCCCC1 ZINC000086670813 179317971 /nfs/dbraw/zinc/31/79/71/179317971.db2.gz KDQZZFLZXKQNOZ-KGLIPLIRSA-N 1 0 271.426 2.432 10 0 CEAERO CS(=O)(=O)[C@H]1CCC[C@@H]1[NH2+]CCC1CCCC1 ZINC000086674784 179318621 /nfs/dbraw/zinc/31/86/21/179318621.db2.gz WCNLGHVGYYRSMP-STQMWFEESA-N 1 0 259.415 2.122 10 0 CEAERO C[C@H]1CCC[C@@]1(C[NH3+])N1CCOc2ccccc2C1 ZINC000086677258 179319035 /nfs/dbraw/zinc/31/90/35/179319035.db2.gz QFFQRUVLQIRTLU-BBRMVZONSA-N 1 0 260.381 2.399 10 0 CEAERO COC[C@H]([NH2+][C@H]1COc2cc(O)ccc21)C(C)C ZINC000086682588 179319934 /nfs/dbraw/zinc/31/99/34/179319934.db2.gz FRCCVFQOYZAUBA-STQMWFEESA-N 1 0 251.326 2.086 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1Cc1cnc(Cl)s1 ZINC000086776826 179329042 /nfs/dbraw/zinc/32/90/42/179329042.db2.gz OLWRWUSKRCCICE-SECBINFHSA-N 1 0 259.806 2.323 10 0 CEAERO CC(C)CCNC(=O)[C@H](C)O[C@@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000086712907 179322573 /nfs/dbraw/zinc/32/25/73/179322573.db2.gz YTWRVTPHGMJICX-YCPHGPKFSA-N 1 0 284.444 2.461 10 0 CEAERO CCC(CC)NC(=O)CO[C@@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000086713098 179322648 /nfs/dbraw/zinc/32/26/48/179322648.db2.gz PBWKJCSKFMYGOX-DOMZBBRYSA-N 1 0 270.417 2.215 10 0 CEAERO C[C@@H]1CCC[C@](C[NH3+])(OCCOCC(F)(F)F)C1 ZINC000086712509 179322679 /nfs/dbraw/zinc/32/26/79/179322679.db2.gz YPUDACUAISQKDY-MNOVXSKESA-N 1 0 269.307 2.490 10 0 CEAERO COCCOCCOC1(C[NH3+])CCC(C(C)C)CC1 ZINC000086713567 179322766 /nfs/dbraw/zinc/32/27/66/179322766.db2.gz SGVLINYPBFMNJD-UHFFFAOYSA-N 1 0 273.417 2.210 10 0 CEAERO CCC1CCC(C[NH3+])(O[C@H](C)C(=O)NC(C)C)CC1 ZINC000086713298 179322802 /nfs/dbraw/zinc/32/28/02/179322802.db2.gz NPDVTMLASDUZRS-DNOWBOINSA-N 1 0 270.417 2.214 10 0 CEAERO CC(C)C1CCC(C[NH3+])(OCC(=O)N(C)C(C)C)CC1 ZINC000086713600 179322857 /nfs/dbraw/zinc/32/28/57/179322857.db2.gz LEDHMKXJZBATNZ-UHFFFAOYSA-N 1 0 284.444 2.414 10 0 CEAERO C[C@H]1CCC[C@](C[NH3+])(OCCCn2ccnc2)C1 ZINC000086713018 179322988 /nfs/dbraw/zinc/32/29/88/179322988.db2.gz CONJNJPIQOJOQM-KBPBESRZSA-N 1 0 251.374 2.197 10 0 CEAERO CCNC(=O)[C@H](C)OC1(C[NH3+])CCC(C(C)(C)C)CC1 ZINC000086713630 179322995 /nfs/dbraw/zinc/32/29/95/179322995.db2.gz DDYLMOYXPCJVTH-FUJMWEONSA-N 1 0 284.444 2.461 10 0 CEAERO CCC1CCC(C[NH3+])(OCC(=O)NCC(C)C)CC1 ZINC000086713171 179323001 /nfs/dbraw/zinc/32/30/01/179323001.db2.gz XZXNESKWOIYUNZ-UHFFFAOYSA-N 1 0 270.417 2.073 10 0 CEAERO C[C@H](O[C@]1(C[NH3+])CCC[C@@H](C)C1)C(=O)NCc1ccco1 ZINC000086712618 179323023 /nfs/dbraw/zinc/32/30/23/179323023.db2.gz GGRDKNHHGIYKFC-DVOMOZLQSA-N 1 0 294.395 2.209 10 0 CEAERO CCc1cc(NCc2ccc(C[NH3+])cc2F)ncn1 ZINC000103958452 185868054 /nfs/dbraw/zinc/86/80/54/185868054.db2.gz IGZZRQCFOWKCRH-UHFFFAOYSA-N 1 0 260.316 2.249 10 0 CEAERO COC(=O)c1ccccc1N[C@H]1CCC[N@H+](C)CC1 ZINC000086817487 179345163 /nfs/dbraw/zinc/34/51/63/179345163.db2.gz PVRFDSXHAMVCES-LBPRGKRZSA-N 1 0 262.353 2.369 10 0 CEAERO CCCn1cc(N[C@@H]2CCC[N@H+](C)CC2)ccc1=O ZINC000086818681 179346595 /nfs/dbraw/zinc/34/65/95/179346595.db2.gz UKRRMZQJLCGJTC-CYBMUJFWSA-N 1 0 263.385 2.155 10 0 CEAERO CNC(=O)Nc1ccc(N[C@H]2CCC[N@H+](C)CC2)cc1 ZINC000086818468 179346726 /nfs/dbraw/zinc/34/67/26/179346726.db2.gz DHNFKTBRMPHZCR-LBPRGKRZSA-N 1 0 276.384 2.334 10 0 CEAERO CCN[C@]1(c2nc(C)cs2)CCC[N@H+](C)CC1 ZINC000086833659 179350395 /nfs/dbraw/zinc/35/03/95/179350395.db2.gz UOHVRMQCHOBFPB-CYBMUJFWSA-N 1 0 253.415 2.372 10 0 CEAERO CCC[N@@H+]1CCC[C@@H](NCc2cc(C)on2)CC1 ZINC000086843486 179353424 /nfs/dbraw/zinc/35/34/24/179353424.db2.gz LESRZPJHWCSXNO-CYBMUJFWSA-N 1 0 251.374 2.337 10 0 CEAERO CCC[N@@H+]1CCC[C@](O)(c2c(C)ccnc2N)CC1 ZINC000086852741 179359890 /nfs/dbraw/zinc/35/98/90/179359890.db2.gz MLPOOIDEFLMMHK-OAHLLOKOSA-N 1 0 263.385 2.056 10 0 CEAERO CCC[N@@H+]1CCC[C@@](CC(=O)[O-])([NH+]2CCCC2)CC1 ZINC000086868477 179360391 /nfs/dbraw/zinc/36/03/91/179360391.db2.gz KRHYFUIBPXZRBK-OAHLLOKOSA-N 1 0 268.401 2.192 10 0 CEAERO CCC[N@@H+]1CCC[C@](O)([C@@H](CC)C(=O)OCC)CC1 ZINC000086868282 179360627 /nfs/dbraw/zinc/36/06/27/179360627.db2.gz GZWMLLADRCHHHE-DZGCQCFKSA-N 1 0 271.401 2.203 10 0 CEAERO Cc1ccnc(N)c1[C@@]1(O)CCC[N@@H+](C(C)C)CC1 ZINC000086867653 179360859 /nfs/dbraw/zinc/36/08/59/179360859.db2.gz AJGZDTMTEIVIJO-OAHLLOKOSA-N 1 0 263.385 2.054 10 0 CEAERO C[C@H]([NH2+]CCc1nncn1C)c1ccc(Cl)s1 ZINC000104060740 185888768 /nfs/dbraw/zinc/88/87/68/185888768.db2.gz SYOFMKPJWHGCDR-QMMMGPOBSA-N 1 0 270.789 2.423 10 0 CEAERO COc1ccc(OC)c([C@]2([NH3+])CCCOCC2)c1 ZINC000086870394 179363371 /nfs/dbraw/zinc/36/33/71/179363371.db2.gz YKXLPQJDAUSYQM-AWEZNQCLSA-N 1 0 251.326 2.058 10 0 CEAERO CC[N@@H+]1CCC[C@@](Nc2ccccc2Cl)(C(N)=O)CC1 ZINC000086849340 179357933 /nfs/dbraw/zinc/35/79/33/179357933.db2.gz KDWCGIMUCKVHDY-HNNXBMFYSA-N 1 0 295.814 2.482 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH3+])Cc1cccc(C)c1 ZINC000086979150 179373187 /nfs/dbraw/zinc/37/31/87/179373187.db2.gz IATIXLVBHDUAFS-CQSZACIVSA-N 1 0 269.410 2.080 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH3+])C1(c2ccccc2)CC1 ZINC000086979562 179373455 /nfs/dbraw/zinc/37/34/55/179373455.db2.gz ANHRDGLFSFSFIO-AWEZNQCLSA-N 1 0 281.421 2.260 10 0 CEAERO CCOC(=O)C[C@]1([NH+]2CCCCC2)CCCOCC1 ZINC000086877732 179365417 /nfs/dbraw/zinc/36/54/17/179365417.db2.gz BVPUSUGYDOUPPG-HNNXBMFYSA-N 1 0 269.385 2.365 10 0 CEAERO C[C@@H]1CN(c2nc(Br)cs2)CC[C@@H]1[NH3+] ZINC000086887286 179366324 /nfs/dbraw/zinc/36/63/24/179366324.db2.gz CAPNXJKFRPUJMS-RQJHMYQMSA-N 1 0 276.203 2.079 10 0 CEAERO CCS(=O)(=O)CCCOc1cccc2c1CC[C@H]2[NH2+]C ZINC000086973055 179371233 /nfs/dbraw/zinc/37/12/33/179371233.db2.gz UAMMTWOOQDJLIH-CQSZACIVSA-N 1 0 297.420 2.097 10 0 CEAERO CCS(=O)(=O)CCCn1ccc2c1cccc2C[NH2+]C ZINC000086977225 179371879 /nfs/dbraw/zinc/37/18/79/179371879.db2.gz KXUUOZLPSJPSPP-UHFFFAOYSA-N 1 0 294.420 2.186 10 0 CEAERO CCS(=O)(=O)CCC[C@@]1([NH3+])CCCc2ccccc21 ZINC000086977272 179371889 /nfs/dbraw/zinc/37/18/89/179371889.db2.gz WCXWWGCWSVTUII-HNNXBMFYSA-N 1 0 281.421 2.392 10 0 CEAERO CCS(=O)(=O)CCC[C@@](C)([NH3+])Cc1ccccc1 ZINC000086977444 179372185 /nfs/dbraw/zinc/37/21/85/179372185.db2.gz ZNVDNFLRFBNFLY-CQSZACIVSA-N 1 0 269.410 2.161 10 0 CEAERO COc1cc(C[NH2+]CC2(O)CCCCC2)ccc1O ZINC000087016943 179380334 /nfs/dbraw/zinc/38/03/34/179380334.db2.gz HKFFAEZBNXENRJ-UHFFFAOYSA-N 1 0 265.353 2.186 10 0 CEAERO C[NH2+]CCCNC(=O)c1cc(C)c(Br)s1 ZINC000087018481 179381287 /nfs/dbraw/zinc/38/12/87/179381287.db2.gz HUDCSHDVHZVPKL-UHFFFAOYSA-N 1 0 291.214 2.158 10 0 CEAERO CCC(O)(CC)C[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000087028392 179381594 /nfs/dbraw/zinc/38/15/94/179381594.db2.gz CPBFIDOAQIDYPO-HNNXBMFYSA-N 1 0 263.381 2.441 10 0 CEAERO CCC(O)(CC)C[NH2+]CC(=O)Nc1ccc(C)cc1 ZINC000087028318 179381678 /nfs/dbraw/zinc/38/16/78/179381678.db2.gz AXDGDUNRFOSKNB-UHFFFAOYSA-N 1 0 264.369 2.074 10 0 CEAERO CC(C)(C)[C@H](CC[NH3+])CCC(=O)NCC1(O)CCCC1 ZINC000087027402 179381785 /nfs/dbraw/zinc/38/17/85/179381785.db2.gz GVFFYSVECPZZIH-ZDUSSCGKSA-N 1 0 284.444 2.199 10 0 CEAERO [NH3+][C@H](Cc1cccc(Cl)c1)[C@@H]1CSCCO1 ZINC000086988100 179374600 /nfs/dbraw/zinc/37/46/00/179374600.db2.gz WQDCOTACJOCTMY-NEPJUHHUSA-N 1 0 257.786 2.342 10 0 CEAERO CCc1ccc(C[C@H]([NH3+])[C@@H]2CSCCO2)s1 ZINC000086987936 179374873 /nfs/dbraw/zinc/37/48/73/179374873.db2.gz AKNORABLRPFWQL-RYUDHWBXSA-N 1 0 257.424 2.312 10 0 CEAERO COCCN(CC(C)C)[C@@H](C[NH3+])c1ccc(OC)c(F)c1 ZINC000086991902 179375366 /nfs/dbraw/zinc/37/53/66/179375366.db2.gz KZTANVDHXVQOSF-HNNXBMFYSA-N 1 0 298.402 2.439 10 0 CEAERO CCCN1C(=O)CC[C@H]([NH3+])[C@H]1c1ccc(OC)c(F)c1 ZINC000086995167 179376090 /nfs/dbraw/zinc/37/60/90/179376090.db2.gz RZPUSZKNRLRIDG-SWLSCSKDSA-N 1 0 280.343 2.235 10 0 CEAERO O=C(c1c(F)cc(F)cc1F)N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000086997910 179377529 /nfs/dbraw/zinc/37/75/29/179377529.db2.gz VNTFYFIIXKXKPQ-STQMWFEESA-N 1 0 298.308 2.461 10 0 CEAERO CC[C@]1(C)C[NH2+]C[C@@H](c2ccc3c(c2)OCCO3)O1 ZINC000087006688 179378306 /nfs/dbraw/zinc/37/83/06/179378306.db2.gz SGUVUAKIJCEZJJ-LSDHHAIUSA-N 1 0 263.337 2.287 10 0 CEAERO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000066497711 362870705 /nfs/dbraw/zinc/87/07/05/362870705.db2.gz CATQJHXFWCETAQ-KGLIPLIRSA-N 1 0 250.386 2.476 10 0 CEAERO CCC1CCC(O)(C[NH2+][C@@H]2CCN(C3CC3)C2)CC1 ZINC000087053475 179388615 /nfs/dbraw/zinc/38/86/15/179388615.db2.gz ZCGKVHSRTXJSGH-NPCAHTBFSA-N 1 0 266.429 2.144 10 0 CEAERO C[C@@](O)(C[NH2+]CC1(O)CCCCC1)c1ccccc1 ZINC000087029266 179382596 /nfs/dbraw/zinc/38/25/96/179382596.db2.gz RRKVNRZMVQJFDL-OAHLLOKOSA-N 1 0 263.381 2.179 10 0 CEAERO C[NH2+][C@@H](CSC(C)(C)C)Cc1cnccc1N ZINC000087117743 179395384 /nfs/dbraw/zinc/39/53/84/179395384.db2.gz CVLTZGLWFHPCJT-LLVKDONJSA-N 1 0 253.415 2.326 10 0 CEAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+]CC1(O)CCC(C)CC1 ZINC000087061907 179389489 /nfs/dbraw/zinc/38/94/89/179389489.db2.gz XGLQNOZWCJOWCQ-UYJPIKCFSA-N 1 0 284.444 2.211 10 0 CEAERO C[C@H]1CCC[C@@](O)(C[NH2+]CC(=O)Nc2ccc(F)cc2)C1 ZINC000087064336 179390251 /nfs/dbraw/zinc/39/02/51/179390251.db2.gz OAMHVGVOMKUPCK-LRDDRELGSA-N 1 0 294.370 2.295 10 0 CEAERO CCC1CCC(O)(C[NH2+]CCCn2ccnc2)CC1 ZINC000087065986 179390281 /nfs/dbraw/zinc/39/02/81/179390281.db2.gz SGFDHJACTRFMFG-UHFFFAOYSA-N 1 0 265.401 2.194 10 0 CEAERO CCOC(=O)[C@H](C)C[NH2+]CC1(O)CCC(CC)CC1 ZINC000087066060 179390432 /nfs/dbraw/zinc/39/04/32/179390432.db2.gz LXJLFQHTPIELEK-DNOWBOINSA-N 1 0 271.401 2.107 10 0 CEAERO CCC[C@]1(C(=O)NCC2(O)CCC(C)(C)CC2)CC[NH2+]C1 ZINC000087068957 179391327 /nfs/dbraw/zinc/39/13/27/179391327.db2.gz LLFLVAXVQIVXHC-INIZCTEOSA-N 1 0 296.455 2.214 10 0 CEAERO CCC1CCC(O)(CNC(=O)C2(CC)CC[NH2+]CC2)CC1 ZINC000087070400 179391467 /nfs/dbraw/zinc/39/14/67/179391467.db2.gz DKVOFUFABPIKQI-UHFFFAOYSA-N 1 0 296.455 2.214 10 0 CEAERO CC[C@@H]1C[NH2+]C[C@H](c2c(OC)cc(OC)cc2OC)O1 ZINC000087090290 179394032 /nfs/dbraw/zinc/39/40/32/179394032.db2.gz NTEWABMSCCUHBF-QMTHXVAHSA-N 1 0 281.352 2.152 10 0 CEAERO OC1(Cc2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC000087166259 179398754 /nfs/dbraw/zinc/39/87/54/179398754.db2.gz ZYOHNKKZPCEYGK-UHFFFAOYSA-N 1 0 259.271 2.362 10 0 CEAERO CC[N@@H+]1CCC[C@](O)(Cc2cccc(OC)c2)CC1 ZINC000087186405 179399784 /nfs/dbraw/zinc/39/97/84/179399784.db2.gz BZNKOENPDBMWQJ-MRXNPFEDSA-N 1 0 263.381 2.475 10 0 CEAERO [NH3+]CC[C@@H]1CN(C(=O)C[C@H]2CCCO2)c2ccccc21 ZINC000087236884 179403565 /nfs/dbraw/zinc/40/35/65/179403565.db2.gz LFVGXYNQLAXLJL-CHWSQXEVSA-N 1 0 274.364 2.035 10 0 CEAERO COc1ccccc1N(CCC[NH3+])CC[C@@H]1CCCO1 ZINC000087246573 179404617 /nfs/dbraw/zinc/40/46/17/179404617.db2.gz ZNIOLXNZHDHQHN-AWEZNQCLSA-N 1 0 278.396 2.420 10 0 CEAERO OC[C@@H](Cc1ccccc1)[NH2+]CCC[C@H]1CCCO1 ZINC000087248032 179405184 /nfs/dbraw/zinc/40/51/84/179405184.db2.gz KDDBIRBDDAZIKB-CVEARBPZSA-N 1 0 263.381 2.139 10 0 CEAERO C[C@H]1C[NH+](CCC(=O)NCC2CCCCC2)C[C@H](C)O1 ZINC000066861420 362890196 /nfs/dbraw/zinc/89/01/96/362890196.db2.gz UFYDSMBKMBJZMR-KBPBESRZSA-N 1 0 282.428 2.182 10 0 CEAERO COc1ccc(Cl)cc1[C@@H](C[NH3+])[C@@H](O)C1CC1 ZINC000087375963 179417332 /nfs/dbraw/zinc/41/73/32/179417332.db2.gz RLVZSNNPCYZZPC-YPMHNXCESA-N 1 0 255.745 2.162 10 0 CEAERO [NH3+]C[C@@H](c1cc(F)cc(F)c1)[C@@H](O)c1cccnc1 ZINC000087382198 179417563 /nfs/dbraw/zinc/41/75/63/179417563.db2.gz QEIZJFQPGVLRIR-KBPBESRZSA-N 1 0 264.275 2.136 10 0 CEAERO CCC[C@@H](C[NH3+])NC(=O)[C@H]1CCCc2ccccc21 ZINC000087387900 179419127 /nfs/dbraw/zinc/41/91/27/179419127.db2.gz IHDAUYMCZJVXPD-ZFWWWQNUSA-N 1 0 260.381 2.350 10 0 CEAERO Cc1nc(C[C@H]([NH3+])[C@H]2CSCCS2)sc1C ZINC000087395611 179419446 /nfs/dbraw/zinc/41/94/46/179419446.db2.gz OTSDYHIRJDETST-VHSXEESVSA-N 1 0 274.480 2.478 10 0 CEAERO CCC[NH2+]CCc1c(C)nc(-c2ccn(C)n2)nc1C ZINC000087426340 179424326 /nfs/dbraw/zinc/42/43/26/179424326.db2.gz YAEKFZZTZOSXGU-UHFFFAOYSA-N 1 0 273.384 2.036 10 0 CEAERO CCC[NH2+][C@H](C)[C@@H](CC)c1nc(-c2ccn(C)n2)no1 ZINC000087426751 179424473 /nfs/dbraw/zinc/42/44/73/179424473.db2.gz GMXDJFGTYGRHOX-GHMZBOCLSA-N 1 0 277.372 2.352 10 0 CEAERO CN(CC[N@H+](C)C[C@H]1CCOC1)Cc1ccc(F)cc1 ZINC000248585094 539637919 /nfs/dbraw/zinc/63/79/19/539637919.db2.gz PSBMWYIKTZSHHE-OAHLLOKOSA-N 1 0 280.387 2.226 10 0 CEAERO C[C@@H]([NH2+][C@@H](C)C(=O)N1[C@H](C)CCC[C@H]1C)[C@@H]1CCCO1 ZINC000248632886 539638870 /nfs/dbraw/zinc/63/88/70/539638870.db2.gz WXXDMGAQJIQCAE-ZSAUSMIDSA-N 1 0 282.428 2.322 10 0 CEAERO CC(C)[C@H](C[NH3+])c1nc(Cc2nc3ccccc3[nH]2)no1 ZINC000087502330 179435973 /nfs/dbraw/zinc/43/59/73/179435973.db2.gz YRVLWXFTTKADED-JTQLQIEISA-N 1 0 285.351 2.235 10 0 CEAERO CC(C)([NH3+])C(C)(C)C(=O)N(Cc1ccncc1)C1CC1 ZINC000087627932 179458884 /nfs/dbraw/zinc/45/88/84/179458884.db2.gz LVTPHGOOUONSCU-UHFFFAOYSA-N 1 0 275.396 2.336 10 0 CEAERO O[C@@H](c1sccc1Br)[C@H]1CCC[NH2+]1 ZINC000087630960 179459633 /nfs/dbraw/zinc/45/96/33/179459633.db2.gz QBBNJOKXLAPABX-HTQZYQBOSA-N 1 0 262.172 2.296 10 0 CEAERO CCC1CCC(O)(CNC(=O)C(C)(C)C(C)(C)[NH3+])CC1 ZINC000087630271 179459786 /nfs/dbraw/zinc/45/97/86/179459786.db2.gz XMCBUEIHUPGRHM-UHFFFAOYSA-N 1 0 284.444 2.197 10 0 CEAERO CCc1nsc(N2CCC([C@@H]3CCC[NH2+]3)CC2)n1 ZINC000087642626 179462211 /nfs/dbraw/zinc/46/22/11/179462211.db2.gz LRLLPCSMUCZBLQ-NSHDSACASA-N 1 0 266.414 2.069 10 0 CEAERO CC(C)c1nsc(N[C@@H](C)[C@@H]2CCC[NH2+]C2)n1 ZINC000087642481 179462682 /nfs/dbraw/zinc/46/26/82/179462682.db2.gz MYJJFCFGFVLEFG-VHSXEESVSA-N 1 0 254.403 2.462 10 0 CEAERO CC(C)(CC[NH3+])CCC(=O)N1CCc2ncccc2C1 ZINC000087694562 179471833 /nfs/dbraw/zinc/47/18/33/179471833.db2.gz CDDALFPXCFIMAF-UHFFFAOYSA-N 1 0 275.396 2.122 10 0 CEAERO CC(C)(CC[NH3+])CCC(=O)N1CCc2ccc(O)cc2C1 ZINC000087696924 179471918 /nfs/dbraw/zinc/47/19/18/179471918.db2.gz IUHLVFILIRMYHE-UHFFFAOYSA-N 1 0 290.407 2.432 10 0 CEAERO CCC(CC)n1ccc(C[C@H]([NH3+])[C@H]2CCCO2)n1 ZINC000087802058 179487909 /nfs/dbraw/zinc/48/79/09/179487909.db2.gz MSZCDHHHKNJOBR-UONOGXRCSA-N 1 0 251.374 2.293 10 0 CEAERO CC[NH2+][C@@H](Cc1ccn(C(C)C)n1)[C@@H]1CCCO1 ZINC000087802640 179488159 /nfs/dbraw/zinc/48/81/59/179488159.db2.gz NOXAHSRQFMQLQA-KBPBESRZSA-N 1 0 251.374 2.164 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000087522420 179440069 /nfs/dbraw/zinc/44/00/69/179440069.db2.gz RJTFQTXSUSVJJQ-GFCCVEGCSA-N 1 0 272.352 2.390 10 0 CEAERO CC[C@H](C[NH3+])C(=O)N1CCC[C@@H]1Cc1ccccc1 ZINC000087525157 179440741 /nfs/dbraw/zinc/44/07/41/179440741.db2.gz QSJKBEKYRBARMY-HUUCEWRRSA-N 1 0 260.381 2.205 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)Nc1ccc(C(=O)N(CC)CC)cc1 ZINC000087532527 179441937 /nfs/dbraw/zinc/44/19/37/179441937.db2.gz WJPXQQNMIHRSHU-LBPRGKRZSA-N 1 0 291.395 2.092 10 0 CEAERO CCOC(=O)c1ccc([C@H]2CCC[N@H+](CCO)CC2)cc1 ZINC000616627774 348539328 /nfs/dbraw/zinc/53/93/28/348539328.db2.gz NFQPICKJRVHNLO-AWEZNQCLSA-N 1 0 291.391 2.425 10 0 CEAERO CC(C)CCOc1cc(NN)[nH+]c(C(C)(C)C)n1 ZINC000087910191 179517555 /nfs/dbraw/zinc/51/75/55/179517555.db2.gz WOLRIMFNQQNQPC-UHFFFAOYSA-N 1 0 252.362 2.485 10 0 CEAERO CC(C)c1nc(N(C)[C@@H](C)C(C)C)cc(NN)[nH+]1 ZINC000087909571 179517598 /nfs/dbraw/zinc/51/75/98/179517598.db2.gz OHEZTHIQZYTVMR-JTQLQIEISA-N 1 0 251.378 2.366 10 0 CEAERO CCOC(=O)c1ccc([C@@H]2CCC[N@H+](CCO)CC2)cc1 ZINC000616628144 348539494 /nfs/dbraw/zinc/53/94/94/348539494.db2.gz NFQPICKJRVHNLO-CQSZACIVSA-N 1 0 291.391 2.425 10 0 CEAERO [NH3+]CCN1CCCC[C@H](c2ccc3ccnnc3c2)C1 ZINC000616626730 348539518 /nfs/dbraw/zinc/53/95/18/348539518.db2.gz ARIDIQDQZSVRKY-HNNXBMFYSA-N 1 0 270.380 2.158 10 0 CEAERO CC(C)(C)OC(=O)Nc1cccc([C@H]2C[NH2+]CCN2)c1 ZINC000616628932 348540010 /nfs/dbraw/zinc/54/00/10/348540010.db2.gz GLQLUBJDCWLAFC-CYBMUJFWSA-N 1 0 277.368 2.268 10 0 CEAERO OCCc1ccccc1[C@@H]1CCCCC[N@H+]1CCO ZINC000616632227 348540830 /nfs/dbraw/zinc/54/08/30/348540830.db2.gz NAUCLDZZEBWVNY-INIZCTEOSA-N 1 0 263.381 2.131 10 0 CEAERO CCOC(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000616635562 348542512 /nfs/dbraw/zinc/54/25/12/348542512.db2.gz HWKTZYUNHIXSDR-LBPRGKRZSA-N 1 0 268.744 2.443 10 0 CEAERO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](C(C)(C)C)CCO1 ZINC000616645595 348545323 /nfs/dbraw/zinc/54/53/23/348545323.db2.gz SCIFARDNYJUOQM-NSHDSACASA-N 1 0 272.389 2.010 10 0 CEAERO c1n[nH]cc1[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000616650617 348547698 /nfs/dbraw/zinc/54/76/98/348547698.db2.gz CAZVYZOENHNEMQ-OAHLLOKOSA-N 1 0 257.337 2.373 10 0 CEAERO [NH3+]C[C@@]1(Cc2cccc(F)c2F)CCCC[C@H]1O ZINC000087931678 179526478 /nfs/dbraw/zinc/52/64/78/179526478.db2.gz WYTAWHABSLONIP-OCCSQVGLSA-N 1 0 255.308 2.387 10 0 CEAERO CCC1CCC(c2noc(C[C@H]([NH3+])COC)n2)CC1 ZINC000087939369 179527716 /nfs/dbraw/zinc/52/77/16/179527716.db2.gz ORTTVIRMFLXSPZ-MCIGGMRASA-N 1 0 267.373 2.270 10 0 CEAERO CCC[NH2+][C@H](Cc1ccccc1F)[C@@H]1COCCO1 ZINC000087858575 179502666 /nfs/dbraw/zinc/50/26/66/179502666.db2.gz ITVBRNYBBJHJBW-CABCVRRESA-N 1 0 267.344 2.152 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccc(F)cc1)[C@@H]1COCCO1 ZINC000087858494 179502777 /nfs/dbraw/zinc/50/27/77/179502777.db2.gz KFXQIKZEORQPPU-GJZGRUSLSA-N 1 0 267.344 2.152 10 0 CEAERO CC1(C(=O)N2CC[C@H](c3cccc(F)c3)[C@@H]([NH3+])C2)CC1 ZINC000616569820 348523448 /nfs/dbraw/zinc/52/34/48/348523448.db2.gz KSUKZZVUXBNAEG-KGLIPLIRSA-N 1 0 276.355 2.269 10 0 CEAERO C/C=C(\C)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccccc1 ZINC000616569762 348523654 /nfs/dbraw/zinc/52/36/54/348523654.db2.gz JYTQTTJOIRLDFS-KRGNKJTDSA-N 1 0 258.365 2.215 10 0 CEAERO COC(=O)[C@@]1(c2ccc(Cl)cc2Cl)CC[NH2+]C1 ZINC000616573748 348524067 /nfs/dbraw/zinc/52/40/67/348524067.db2.gz KVBRTMZPEQTVPV-LBPRGKRZSA-N 1 0 274.147 2.398 10 0 CEAERO CC(C)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000616571246 348524292 /nfs/dbraw/zinc/52/42/92/348524292.db2.gz PWTKTEJSHDDDCX-UONOGXRCSA-N 1 0 264.344 2.043 10 0 CEAERO Cc1csc([C@H](C)Nc2nc(NN)[nH+]cc2Cl)n1 ZINC000087881480 179509422 /nfs/dbraw/zinc/50/94/22/179509422.db2.gz WGRBXKTVOSAFRW-LURJTMIESA-N 1 0 284.776 2.354 10 0 CEAERO c1cc(N[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)n[nH]1 ZINC000616611326 348534259 /nfs/dbraw/zinc/53/42/59/348534259.db2.gz OQNMNLKVENFWPX-OAHLLOKOSA-N 1 0 270.380 2.298 10 0 CEAERO CCCN(CCC)c1cc(NN)[nH+]c(SC)n1 ZINC000087897617 179515535 /nfs/dbraw/zinc/51/55/35/179515535.db2.gz OJFXDNDJJXQMDU-UHFFFAOYSA-N 1 0 255.391 2.111 10 0 CEAERO Cc1nc(NC[C@@]2(C)CCCS2)c(C)c(NN)[nH+]1 ZINC000087896479 179515754 /nfs/dbraw/zinc/51/57/54/179515754.db2.gz MIHLOVCYVKLAPS-GFCCVEGCSA-N 1 0 267.402 2.077 10 0 CEAERO Cc1ccc(Br)c([C@H](O)[C@H](C)C[NH3+])c1 ZINC000088028135 179537296 /nfs/dbraw/zinc/53/72/96/179537296.db2.gz DGCNKUDQOFJYIP-LDYMZIIASA-N 1 0 258.159 2.386 10 0 CEAERO CCOc1cc2c(cc1CN1CC[NH2+][C@@H](C)C1)O[C@H](C)C2 ZINC000088058629 179541824 /nfs/dbraw/zinc/54/18/24/179541824.db2.gz WGNCPBKGNTXXQO-QWHCGFSZSA-N 1 0 290.407 2.202 10 0 CEAERO C[NH2+][C@H](CCc1ccc2c(c1)CCO2)c1cnn(C)c1 ZINC000088105578 179549977 /nfs/dbraw/zinc/54/99/77/179549977.db2.gz YWCMHRQFNBRARL-OAHLLOKOSA-N 1 0 271.364 2.248 10 0 CEAERO [NH3+]C1(C(=O)Nc2ccc(N3CCCCCC3)cc2)CC1 ZINC000088130808 179553379 /nfs/dbraw/zinc/55/33/79/179553379.db2.gz OZSOVOLZCKXSTA-UHFFFAOYSA-N 1 0 273.380 2.497 10 0 CEAERO COCCOCCOc1cccc2c1CCC[C@H]2[NH3+] ZINC000088151167 179557864 /nfs/dbraw/zinc/55/78/64/179557864.db2.gz OTJDCLSOADLTQU-CQSZACIVSA-N 1 0 265.353 2.065 10 0 CEAERO C[NH2+][C@H]1CCCc2c(O[C@H](C)C(=O)OC)cccc21 ZINC000088151626 179557964 /nfs/dbraw/zinc/55/79/64/179557964.db2.gz JBYWOTRZYBGGJA-MFKMUULPSA-N 1 0 263.337 2.224 10 0 CEAERO Cc1ccnc(Cl)c1NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000088188942 179561304 /nfs/dbraw/zinc/56/13/04/179561304.db2.gz WYIRWRDFGVXXEO-UWVGGRQHSA-N 1 0 267.760 2.499 10 0 CEAERO Cc1ccnc(Cl)c1NC(=O)CC1CC[NH2+]CC1 ZINC000088189073 179562201 /nfs/dbraw/zinc/56/22/01/179562201.db2.gz IGEGFGZDZHEWRG-UHFFFAOYSA-N 1 0 267.760 2.372 10 0 CEAERO CCOC(=O)c1ccccc1[C@H]1COCC[N@H+](CC)C1 ZINC000616661556 348552881 /nfs/dbraw/zinc/55/28/81/348552881.db2.gz UOKDQTSPQDAVBT-CYBMUJFWSA-N 1 0 277.364 2.299 10 0 CEAERO c1cn([C@H]2CC[N@H+](Cc3ccccc3)CCO2)cn1 ZINC000616662958 348553975 /nfs/dbraw/zinc/55/39/75/348553975.db2.gz MQHFWZDOJZVLKL-OAHLLOKOSA-N 1 0 257.337 2.304 10 0 CEAERO NC(=O)c1ccccc1[C@H]1CCc2ccccc2N1CC[NH3+] ZINC000616667724 348555469 /nfs/dbraw/zinc/55/54/69/348555469.db2.gz CJNWQOREEIAQRA-QGZVFWFLSA-N 1 0 295.386 2.238 10 0 CEAERO COc1ccccc1C[C@H](C)N(C)C(=[NH2+])NC(C)C ZINC000088204324 179565745 /nfs/dbraw/zinc/56/57/45/179565745.db2.gz JYEFEGOQPJCPKP-LBPRGKRZSA-N 1 0 263.385 2.491 10 0 CEAERO CC[N@@H+]1CCO[C@H](CCNC(=O)OC(C)(C)C)CC1 ZINC000616687262 348561015 /nfs/dbraw/zinc/56/10/15/348561015.db2.gz QZELALBIGLBSRF-GFCCVEGCSA-N 1 0 272.389 2.012 10 0 CEAERO [NH3+]CCN1C[C@@H](c2ccccc2CCO)Nc2ccccc21 ZINC000616692724 348562814 /nfs/dbraw/zinc/56/28/14/348562814.db2.gz OBAXQEFRDLXLKG-KRWDZBQOSA-N 1 0 297.402 2.153 10 0 CEAERO Nc1ccc([C@@H]2CN(CC[NH3+])c3ccccc3N2)cc1 ZINC000616693441 348562946 /nfs/dbraw/zinc/56/29/46/348562946.db2.gz RMHJOQOQWPLOED-HNNXBMFYSA-N 1 0 268.364 2.201 10 0 CEAERO COc1ccccc1OCCN1C[C@H](C(C)C)[NH2+]C[C@@H]1C ZINC000088415500 179595227 /nfs/dbraw/zinc/59/52/27/179595227.db2.gz RBDWDIMNJNAQPK-LSDHHAIUSA-N 1 0 292.423 2.392 10 0 CEAERO C[C@H]1CC[C@@H](C(=O)N2CCC(C(F)(F)F)CC2)C[NH2+]1 ZINC000088431600 179598737 /nfs/dbraw/zinc/59/87/37/179598737.db2.gz IDFOIVAUDSIMBX-VHSXEESVSA-N 1 0 278.318 2.175 10 0 CEAERO Cc1c(Br)cccc1C(=O)N[C@@H]1CCC[C@H]1[NH3+] ZINC000088441991 179603253 /nfs/dbraw/zinc/60/32/53/179603253.db2.gz AOYMZOBZYMLQER-VXGBXAGGSA-N 1 0 297.196 2.367 10 0 CEAERO Cc1cncc(C(=O)N(C)Cc2cccc(C[NH3+])c2)c1 ZINC000088448559 179605391 /nfs/dbraw/zinc/60/53/91/179605391.db2.gz QQCKDHLQNCXLDA-UHFFFAOYSA-N 1 0 269.348 2.121 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C(=O)N(C)C2CCCCCC2)C1 ZINC000088449998 179605737 /nfs/dbraw/zinc/60/57/37/179605737.db2.gz JMFNOGUIBMZROF-STQMWFEESA-N 1 0 252.402 2.413 10 0 CEAERO CCN(C(=O)[C@H]1C[NH2+]C[C@@H](C)C1)C1CCCCC1 ZINC000088449556 179605833 /nfs/dbraw/zinc/60/58/33/179605833.db2.gz DXCKYDHXSBCMQG-QWHCGFSZSA-N 1 0 252.402 2.413 10 0 CEAERO CC(C)N(CC(F)(F)F)C(=O)[C@H]1C[NH2+]C[C@@H](C)C1 ZINC000088450585 179605856 /nfs/dbraw/zinc/60/58/56/179605856.db2.gz OAOICFGOABATOW-VHSXEESVSA-N 1 0 266.307 2.031 10 0 CEAERO CCCN(CC(F)(F)F)C(=O)[C@H]1C[NH2+]C[C@H](C)C1 ZINC000088450579 179605899 /nfs/dbraw/zinc/60/58/99/179605899.db2.gz DHFJFWOVLWKYGV-NXEZZACHSA-N 1 0 266.307 2.033 10 0 CEAERO Cc1ccoc1C(=O)N1CC[NH2+]CC12CCCCC2 ZINC000088396042 179590980 /nfs/dbraw/zinc/59/09/80/179590980.db2.gz OUJODFILSMPFDV-UHFFFAOYSA-N 1 0 262.353 2.336 10 0 CEAERO CCC[NH2+][C@H](C)CCCn1c(=O)oc2cccnc21 ZINC000088396844 179591301 /nfs/dbraw/zinc/59/13/01/179591301.db2.gz NFFBNPMIVMPPSF-LLVKDONJSA-N 1 0 263.341 2.158 10 0 CEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2coc(C3CCC3)n2)C1 ZINC000248890558 539653652 /nfs/dbraw/zinc/65/36/52/539653652.db2.gz WAFMNQPDAWLROW-WCQYABFASA-N 1 0 291.395 2.401 10 0 CEAERO CCC1(CC)C[NH2+][C@H](CC(C)C)CN1Cc1ncnn1C ZINC000088583913 179630031 /nfs/dbraw/zinc/63/00/31/179630031.db2.gz XQUXDCULDQMZFG-CQSZACIVSA-N 1 0 293.459 2.194 10 0 CEAERO CC[NH2+][C@@H](Cc1ncnn1C)[C@H]1CCc2ccccc21 ZINC000088582535 179630340 /nfs/dbraw/zinc/63/03/40/179630340.db2.gz ZTLNRNUJAIBAHF-GJZGRUSLSA-N 1 0 270.380 2.066 10 0 CEAERO CCn1ncnc1C[C@](C)([NH3+])c1cc(C)ccc1C ZINC000088607191 179636457 /nfs/dbraw/zinc/63/64/57/179636457.db2.gz OKAAUHIGCYMEOB-HNNXBMFYSA-N 1 0 258.369 2.331 10 0 CEAERO CCC[NH2+][C@H](Cc1ncnn1C(C)C)C[C@H]1CCCO1 ZINC000088610598 179638101 /nfs/dbraw/zinc/63/81/01/179638101.db2.gz HPQMHTLYLKUHAO-UONOGXRCSA-N 1 0 280.416 2.339 10 0 CEAERO CCCn1ncnc1C[C@@H](CSC(C)C)[NH2+]CC ZINC000088612745 179639731 /nfs/dbraw/zinc/63/97/31/179639731.db2.gz DAHMIZDRSWMPGD-LBPRGKRZSA-N 1 0 270.446 2.350 10 0 CEAERO CCCn1ncnc1C[C@@H]([NH3+])[C@H]1CCc2ccccc2C1 ZINC000088617011 179639840 /nfs/dbraw/zinc/63/98/40/179639840.db2.gz GBVRISGASHMPEQ-JKSUJKDBSA-N 1 0 284.407 2.363 10 0 CEAERO CCCn1ncnc1C[C@@H]([NH3+])[C@H]1CCc2ccccc21 ZINC000088616959 179639945 /nfs/dbraw/zinc/63/99/45/179639945.db2.gz SJYBIKOXNNFIHZ-LSDHHAIUSA-N 1 0 270.380 2.288 10 0 CEAERO CCC[NH2+]CC1(Cc2ncnn2CCC)CCOCC1 ZINC000088621739 179641365 /nfs/dbraw/zinc/64/13/65/179641365.db2.gz GQSZJJHDFWAYJC-UHFFFAOYSA-N 1 0 280.416 2.027 10 0 CEAERO CCCn1ncnc1CN1CC(C)(C)[NH2+]C[C@H]1[C@@H](C)CC ZINC000088625264 179642247 /nfs/dbraw/zinc/64/22/47/179642247.db2.gz QRJLUPHQGDUJRR-KBPBESRZSA-N 1 0 293.459 2.287 10 0 CEAERO CCCn1ncnc1CN1C[C@@H]([C@@H](C)CC)[NH2+]CC1(C)C ZINC000088625529 179642387 /nfs/dbraw/zinc/64/23/87/179642387.db2.gz NDQIONIEOHUZCC-KBPBESRZSA-N 1 0 293.459 2.287 10 0 CEAERO CC(C)(C)[NH2+]Cc1ncnn1Cc1cc(F)ccc1F ZINC000088629223 179644661 /nfs/dbraw/zinc/64/46/61/179644661.db2.gz WKQMKXLNZYNDQS-UHFFFAOYSA-N 1 0 280.322 2.493 10 0 CEAERO C[NH+](C)CCCNC(=O)c1sc2ccccc2c1N ZINC000088638055 179645730 /nfs/dbraw/zinc/64/57/30/179645730.db2.gz UYABBHOEPZWAOV-UHFFFAOYSA-N 1 0 277.393 2.165 10 0 CEAERO [NH3+]C1CCC(C(=O)N2CCC[C@H]3CCC[C@H]32)CC1 ZINC000087769561 539662661 /nfs/dbraw/zinc/66/26/61/539662661.db2.gz ABRGXLMUICGCFB-BLYZHGLHSA-N 1 0 250.386 2.295 10 0 CEAERO Fc1cc(F)c(N2CC[C@H]([NH2+]C3CC3)C2)c(F)c1 ZINC000088724167 179658947 /nfs/dbraw/zinc/65/89/47/179658947.db2.gz MOEZMJKVNYHDQI-JTQLQIEISA-N 1 0 256.271 2.435 10 0 CEAERO CCc1nc(CC)n(Cc2cccc(C[NH2+]C)c2)n1 ZINC000088744165 179663012 /nfs/dbraw/zinc/66/30/12/179663012.db2.gz WVQMXRFKEUHAFS-UHFFFAOYSA-N 1 0 258.369 2.171 10 0 CEAERO COc1ccc(Cl)cc1NC(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000104219067 185934502 /nfs/dbraw/zinc/93/45/02/185934502.db2.gz RPIXKNVFAGEQHU-SCZZXKLOSA-N 1 0 268.744 2.143 10 0 CEAERO C[NH2+]CCCc1nnc(-c2ccc(C)nc2C)s1 ZINC000088811771 179676428 /nfs/dbraw/zinc/67/64/28/179676428.db2.gz WISVQQBKMIIXDK-UHFFFAOYSA-N 1 0 262.382 2.369 10 0 CEAERO CCCn1c2ccncc2nc1[C@]1(CC)CC[NH2+]C1 ZINC000088865062 179685101 /nfs/dbraw/zinc/68/51/01/179685101.db2.gz RSPJWYYLMLBGQS-OAHLLOKOSA-N 1 0 258.369 2.482 10 0 CEAERO C[C@]1(C2CC2)C[NH2+][C@@H](C2CC2)CN1CCOC(F)(F)F ZINC000089057666 179695448 /nfs/dbraw/zinc/69/54/48/179695448.db2.gz HMERYDKWVRRHPQ-CHWSQXEVSA-N 1 0 292.345 2.375 10 0 CEAERO C[C@H]1C[NH2+]C2(CCCC2)CN1CCOC(F)(F)F ZINC000089057397 179695484 /nfs/dbraw/zinc/69/54/84/179695484.db2.gz WXYMQOTYMOIACT-JTQLQIEISA-N 1 0 266.307 2.129 10 0 CEAERO CCc1ccc(C(=O)N(C)[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089110339 179705380 /nfs/dbraw/zinc/70/53/80/179705380.db2.gz XGVIJHHOVMFXIV-CABCVRRESA-N 1 0 260.381 2.448 10 0 CEAERO CN(C(=O)c1ccc2ncccc2c1)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089111208 179705790 /nfs/dbraw/zinc/70/57/90/179705790.db2.gz FMIZPKKKILMRNM-ZBFHGGJFSA-N 1 0 283.375 2.434 10 0 CEAERO CN(C(=O)CCc1ccccc1)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089110955 179706040 /nfs/dbraw/zinc/70/60/40/179706040.db2.gz GPADNXIIVQWLQW-CABCVRRESA-N 1 0 260.381 2.205 10 0 CEAERO CN(C(=O)c1cc(F)cc(F)c1)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089110979 179706308 /nfs/dbraw/zinc/70/63/08/179706308.db2.gz ACVSJLLOGPIYLF-RNCFNFMXSA-N 1 0 268.307 2.164 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1cccc2cc[nH]c21 ZINC000089091035 539688802 /nfs/dbraw/zinc/68/88/02/539688802.db2.gz GZJWFPANSQJRCT-DGCLKSJQSA-N 1 0 257.337 2.025 10 0 CEAERO CCN(C(=O)CCC(F)(F)F)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089114749 179709032 /nfs/dbraw/zinc/70/90/32/179709032.db2.gz MAAUARQIYGXAQH-ZJUUUORDSA-N 1 0 266.307 2.305 10 0 CEAERO CCN(c1ccc(C(N)=O)cc1Cl)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089116871 179710904 /nfs/dbraw/zinc/71/09/04/179710904.db2.gz ZUOPPTCIWXRJKB-YPMHNXCESA-N 1 0 295.814 2.393 10 0 CEAERO COc1cccc(F)c1C(=O)N(C)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089118388 179711229 /nfs/dbraw/zinc/71/12/29/179711229.db2.gz PIIOAIOOUXACOW-DGCLKSJQSA-N 1 0 294.370 2.424 10 0 CEAERO Cc1occc1C(=O)N(C)[C@H]1CCCC[C@H]1C[NH3+] ZINC000089118597 179711246 /nfs/dbraw/zinc/71/12/46/179711246.db2.gz VQBAQOMXLVLRJQ-AAEUAGOBSA-N 1 0 250.342 2.178 10 0 CEAERO C[C@@H]1CN(C(=O)/C=C\c2ccc(Cl)s2)C[C@@H]1[NH3+] ZINC000493612399 290872314 /nfs/dbraw/zinc/87/23/14/290872314.db2.gz ARUFGRPIKWVFSO-OCBRSHQWSA-N 1 0 270.785 2.220 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1Nc1cccnc1N1CCCC1 ZINC000089148327 179723890 /nfs/dbraw/zinc/72/38/90/179723890.db2.gz DBTTXPXMMGBYSF-OLZOCXBDSA-N 1 0 260.385 2.221 10 0 CEAERO CCn1nc(C)cc1CO[C@]1(C[NH3+])CC[C@@H](C)C1 ZINC000089180802 179744611 /nfs/dbraw/zinc/74/46/11/179744611.db2.gz LNIJOCCBRWIJPZ-BXUZGUMPSA-N 1 0 251.374 2.246 10 0 CEAERO CCC1(C)CCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089462210 539719186 /nfs/dbraw/zinc/71/91/86/539719186.db2.gz ZRXUGHNOYVXKEP-OLZOCXBDSA-N 1 0 252.402 2.400 10 0 CEAERO CCc1cc(C[C@H]([NH3+])[C@H]2Cc3ccccc32)n(C)n1 ZINC000089198503 179751715 /nfs/dbraw/zinc/75/17/15/179751715.db2.gz MMZDSIUAYKGKJL-HOTGVXAUSA-N 1 0 255.365 2.192 10 0 CEAERO CN(Cc1ccccc1F)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089450876 539716251 /nfs/dbraw/zinc/71/62/51/539716251.db2.gz YVNPXJZBLGVYID-AAEUAGOBSA-N 1 0 264.344 2.159 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(F)c(F)c1 ZINC000089449406 539716291 /nfs/dbraw/zinc/71/62/91/539716291.db2.gz QFIAWUAIGOUVSQ-WPRPVWTQSA-N 1 0 254.280 2.278 10 0 CEAERO CN(Cc1ccsc1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089450712 539716375 /nfs/dbraw/zinc/71/63/75/539716375.db2.gz CHZITGQCNWKTAA-NWDGAFQWSA-N 1 0 252.383 2.082 10 0 CEAERO COc1cccc(CN(C)C(=O)[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000089455132 539717217 /nfs/dbraw/zinc/71/72/17/539717217.db2.gz UPQLFWBGGOGXEV-DZGCQCFKSA-N 1 0 276.380 2.029 10 0 CEAERO CCN(Cc1cccs1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089456062 539717284 /nfs/dbraw/zinc/71/72/84/539717284.db2.gz FLZZYCFBIMGNEE-AAEUAGOBSA-N 1 0 266.410 2.472 10 0 CEAERO CCOc1cccc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000089454912 539717298 /nfs/dbraw/zinc/71/72/98/539717298.db2.gz ALFSCCBWGPVRFY-SMDDNHRTSA-N 1 0 262.353 2.399 10 0 CEAERO C[NH2+]C[C@@H](Cc1cc(C)nn1C)Cc1ccccc1OC ZINC000089205941 179754116 /nfs/dbraw/zinc/75/41/16/179754116.db2.gz IHYOHRBENAOZGK-CQSZACIVSA-N 1 0 287.407 2.358 10 0 CEAERO CCn1nc(C)cc1CN1CC[NH2+]C(CC)(CC)C1 ZINC000089208519 179754804 /nfs/dbraw/zinc/75/48/04/179754804.db2.gz GLDXNFJPBNFRDN-UHFFFAOYSA-N 1 0 264.417 2.175 10 0 CEAERO CCn1nc(C)c(Cl)c1CN1C[C@@H](C2CC2)[NH2+]C[C@@H]1C ZINC000089305221 179767320 /nfs/dbraw/zinc/76/73/20/179767320.db2.gz YJIDEPJWYAMJQO-GWCFXTLKSA-N 1 0 296.846 2.437 10 0 CEAERO CCc1nn(C)c(CN(CC)C[C@@H](C)C(N)=[NH2+])c1Cl ZINC000089320306 179769539 /nfs/dbraw/zinc/76/95/39/179769539.db2.gz QQRWZVALTYGCFS-SECBINFHSA-N 1 0 285.823 2.030 10 0 CEAERO CCc1nn(C)c(C[C@@H]([NH2+]C)[C@@H]2CCCOC2)c1Cl ZINC000089329170 179770022 /nfs/dbraw/zinc/77/00/22/179770022.db2.gz XTHZKUFHCZVSJZ-ZYHUDNBSSA-N 1 0 285.819 2.193 10 0 CEAERO Cc1nn(C)c(CN2CC3(CCCC3)[NH2+]C[C@H]2C)c1Cl ZINC000089270896 179763154 /nfs/dbraw/zinc/76/31/54/179763154.db2.gz ZBGGVBGBYDJQJR-LLVKDONJSA-N 1 0 296.846 2.488 10 0 CEAERO CCC[C@H]1C[NH2+][C@@H](C)CN1Cc1csc(C)n1 ZINC000089270296 179763375 /nfs/dbraw/zinc/76/33/75/179763375.db2.gz RESKKOLRQSIJRR-GWCFXTLKSA-N 1 0 253.415 2.414 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000089452212 179793064 /nfs/dbraw/zinc/79/30/64/179793064.db2.gz NDSADPNYDWISPP-DOMZBBRYSA-N 1 0 284.363 2.186 10 0 CEAERO COc1ccc(NC(=O)COC[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089536366 179812276 /nfs/dbraw/zinc/81/22/76/179812276.db2.gz GBFOHWJWJRZKDV-OLZOCXBDSA-N 1 0 292.379 2.025 10 0 CEAERO C[C@@]1([NH2+]CC2CCCCCC2)CCS(=O)(=O)C1 ZINC000089557510 179816054 /nfs/dbraw/zinc/81/60/54/179816054.db2.gz BXMAMAYIYGFFSW-CYBMUJFWSA-N 1 0 259.415 2.124 10 0 CEAERO OC[C@H]1CCC[C@H]1C[NH2+]CCc1ccc2c(c1)CCO2 ZINC000089497675 179804318 /nfs/dbraw/zinc/80/43/18/179804318.db2.gz POGHTOUMPQOGGV-JKSUJKDBSA-N 1 0 275.392 2.162 10 0 CEAERO COc1ccc(CC[NH2+]C[C@@H]2CCC[C@H]2CO)cc1 ZINC000089497341 179804335 /nfs/dbraw/zinc/80/43/35/179804335.db2.gz QFFUSRDYQFMFPD-GJZGRUSLSA-N 1 0 263.381 2.236 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1CNC(=O)C1CCCCCC1 ZINC000089500655 179805052 /nfs/dbraw/zinc/80/50/52/179805052.db2.gz RAXFYTOCLBRRJX-ZIAGYGMSSA-N 1 0 252.402 2.448 10 0 CEAERO Cc1ccc(F)c(C(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)c1 ZINC000089710204 179850841 /nfs/dbraw/zinc/85/08/41/179850841.db2.gz FXLRYFDZMKNPOP-FZMZJTMJSA-N 1 0 264.344 2.156 10 0 CEAERO C[C@H](NC(=O)C[C@H]1CC[NH2+]C1)c1ccc(F)cc1F ZINC000089741913 539730343 /nfs/dbraw/zinc/73/03/43/539730343.db2.gz WEXGYVDUYHQKAA-VHSXEESVSA-N 1 0 268.307 2.142 10 0 CEAERO Cc1cc2c(ncnc2NCC[C@@H]2CC[NH2+]C2)s1 ZINC000104360773 185983643 /nfs/dbraw/zinc/98/36/43/185983643.db2.gz BYJGJULWXIJQMI-JTQLQIEISA-N 1 0 262.382 2.411 10 0 CEAERO C[NH2+][C@H]1c2ccc(OC)cc2CC[C@@H]1SCCCO ZINC000090119921 179916878 /nfs/dbraw/zinc/91/68/78/179916878.db2.gz QKUUKYCLKHPUNE-GJZGRUSLSA-N 1 0 281.421 2.386 10 0 CEAERO CCN(C(=O)c1cc(SC)ccc1Cl)C1C[NH2+]C1 ZINC000090291144 179951307 /nfs/dbraw/zinc/95/13/07/179951307.db2.gz IRVOQQIRYVCVTP-UHFFFAOYSA-N 1 0 284.812 2.496 10 0 CEAERO CC(C)OC(=O)CN1CCCC[C@H]1C[NH2+]C(C)(C)C ZINC000104409090 185990483 /nfs/dbraw/zinc/99/04/83/185990483.db2.gz YBDGVHNPRBGXMJ-ZDUSSCGKSA-N 1 0 270.417 2.181 10 0 CEAERO COCc1cc(C(=O)Nc2ccccc2[C@H](C)[NH3+])no1 ZINC000090253524 179940669 /nfs/dbraw/zinc/94/06/69/179940669.db2.gz SNWAKHRAMMRBKM-VIFPVBQESA-N 1 0 275.308 2.093 10 0 CEAERO COC(OC)[C@](C)(C[NH3+])N(C)Cc1ccccc1Cl ZINC000090266420 179942756 /nfs/dbraw/zinc/94/27/56/179942756.db2.gz KEFOAXOUIZZPPM-AWEZNQCLSA-N 1 0 286.803 2.108 10 0 CEAERO C[C@H](CC(=O)N1C[C@H]2C[NH2+]C[C@@H]2C1)CC(C)(C)C ZINC000090321347 179957817 /nfs/dbraw/zinc/95/78/17/179957817.db2.gz OGAATHKIVAIDPB-JHJVBQTASA-N 1 0 252.402 2.127 10 0 CEAERO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1Cc1nc(Cl)ccc1Cl ZINC000090327839 179960014 /nfs/dbraw/zinc/96/00/14/179960014.db2.gz ZQHBHWRHJQQCEO-OPRDCNLKSA-N 1 0 286.206 2.428 10 0 CEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C(=O)c1cc(C)ccc1F ZINC000090331280 179962949 /nfs/dbraw/zinc/96/29/49/179962949.db2.gz JLMQKBUPCOKNDK-OSAQELSMSA-N 1 0 276.355 2.204 10 0 CEAERO C[C@@H]([NH3+])CSCC(=O)N(C)C1CCC(C)CC1 ZINC000090343898 179969245 /nfs/dbraw/zinc/96/92/45/179969245.db2.gz XDHSOWYUQJLAAH-MOENNCHZSA-N 1 0 258.431 2.104 10 0 CEAERO C[C@H]([NH3+])CCSCC(=O)Nc1ccc(F)cc1F ZINC000090345917 179970266 /nfs/dbraw/zinc/97/02/66/179970266.db2.gz PZQGGOIGLOBZPU-QMMMGPOBSA-N 1 0 274.336 2.374 10 0 CEAERO CC[C@H]([NH3+])CSCC(=O)N(C)c1ccccc1 ZINC000090357132 179975948 /nfs/dbraw/zinc/97/59/48/179975948.db2.gz FVGPWVXMUGRSIX-NSHDSACASA-N 1 0 252.383 2.120 10 0 CEAERO CCC[NH2+]Cc1cn(-c2cccc3cnccc32)nn1 ZINC000090300077 179953732 /nfs/dbraw/zinc/95/37/32/179953732.db2.gz XNIBQNMIKSOVAV-UHFFFAOYSA-N 1 0 267.336 2.315 10 0 CEAERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000090311263 179956512 /nfs/dbraw/zinc/95/65/12/179956512.db2.gz VHVACWLGUMWDIB-ZNMIVQPWSA-N 1 0 290.407 2.219 10 0 CEAERO O[C@H]1COCC[C@@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000623767650 350108126 /nfs/dbraw/zinc/10/81/26/350108126.db2.gz ZNDHQBSLSVPZRR-QQFIATSDSA-N 1 0 281.318 2.095 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1c1nc(CC(C)(C)C)no1 ZINC000090528737 179998452 /nfs/dbraw/zinc/99/84/52/179998452.db2.gz IGOHCFMKIBRLOB-GHMZBOCLSA-N 1 0 267.373 2.140 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1c1nc2ccc(F)cc2o1 ZINC000090529218 179998841 /nfs/dbraw/zinc/99/88/41/179998841.db2.gz LBESXFSXGOUHEI-PWSUYJOCSA-N 1 0 264.300 2.449 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccccc1OCC ZINC000090538543 180000348 /nfs/dbraw/zinc/00/03/48/180000348.db2.gz ROLGZXKZMRJKNX-TZMCWYRMSA-N 1 0 292.379 2.038 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)N(C)c1ccc(C)cc1C ZINC000090544419 180000857 /nfs/dbraw/zinc/00/08/57/180000857.db2.gz WQDJCQJNRLCZMJ-CABCVRRESA-N 1 0 290.407 2.281 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)N1CCC(C(C)(C)C)CC1 ZINC000090544510 180000999 /nfs/dbraw/zinc/00/09/99/180000999.db2.gz DXNSOBSKNYEFGG-CABCVRRESA-N 1 0 296.455 2.286 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1CN1CCc2ccccc21 ZINC000090566035 180005284 /nfs/dbraw/zinc/00/52/84/180005284.db2.gz GOJMDCFRGRNCML-CABCVRRESA-N 1 0 260.381 2.064 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1CN(C)Cc1cccs1 ZINC000090566143 180005359 /nfs/dbraw/zinc/00/53/59/180005359.db2.gz KFRXVKXNLAMYJR-JSGCOSHPSA-N 1 0 268.426 2.195 10 0 CEAERO C[C@]1(c2nc(-c3ccc(Cl)cc3)no2)COC[C@@H]1[NH3+] ZINC000090573119 180007249 /nfs/dbraw/zinc/00/72/49/180007249.db2.gz BYWCLPGYUDPPHL-GWCFXTLKSA-N 1 0 279.727 2.005 10 0 CEAERO C[C@@]1(C(=O)Nc2ccc3sccc3c2)COC[C@@H]1[NH3+] ZINC000090586461 180009534 /nfs/dbraw/zinc/00/95/34/180009534.db2.gz YTXIYCMVIRAXCW-GXTWGEPZSA-N 1 0 276.361 2.204 10 0 CEAERO CC[C@H](C)Oc1cccc(NC(=O)[C@@]2(C)COC[C@@H]2[NH3+])c1 ZINC000090602830 180010950 /nfs/dbraw/zinc/01/09/50/180010950.db2.gz LHZDJROULUXRTG-PJODQICGSA-N 1 0 292.379 2.166 10 0 CEAERO COC(C[C@@H](CN)[N@@H+]1CCC[C@H](C(C)(C)C)CC1)OC ZINC000090625407 180015434 /nfs/dbraw/zinc/01/54/34/180015434.db2.gz IFQGYPNAOFJUHV-KBPBESRZSA-N 1 0 286.460 2.471 10 0 CEAERO COC(C[C@@H](C[NH3+])N(Cc1cccs1)C(C)C)OC ZINC000090625190 180015736 /nfs/dbraw/zinc/01/57/36/180015736.db2.gz QUDPDPMZAYOAMR-LBPRGKRZSA-N 1 0 286.441 2.295 10 0 CEAERO CCCC1CCC([NH2+]Cc2cn(CCCO)nn2)CC1 ZINC000090638652 180017170 /nfs/dbraw/zinc/01/71/70/180017170.db2.gz KKXZCWVFPGRZQO-UHFFFAOYSA-N 1 0 280.416 2.109 10 0 CEAERO CCOC(=O)[C@](C)([NH3+])CCCCO[C@H](C)C(F)(F)F ZINC000090674338 180021574 /nfs/dbraw/zinc/02/15/74/180021574.db2.gz VNABBYBBEFLORY-MWLCHTKSSA-N 1 0 285.306 2.405 10 0 CEAERO COC(=O)[C@](C)([NH3+])CCCCO[C@H](C)C(F)(F)F ZINC000090674507 180021720 /nfs/dbraw/zinc/02/17/20/180021720.db2.gz VXCCSZGWNHQKTJ-PSASIEDQSA-N 1 0 271.279 2.015 10 0 CEAERO CC[NH2+]C[C@@H]1CC[C@@H](CO[C@@H](C)C(F)(F)F)O1 ZINC000090675478 180022511 /nfs/dbraw/zinc/02/25/11/180022511.db2.gz HNJUHVIJTJTCIH-GUBZILKMSA-N 1 0 255.280 2.111 10 0 CEAERO C[NH+](C)C[C@@H]1CSCCCN1C(=O)C1CCCCC1 ZINC000090699766 180027804 /nfs/dbraw/zinc/02/78/04/180027804.db2.gz ZZGMQCZPXSRHSN-CQSZACIVSA-N 1 0 284.469 2.462 10 0 CEAERO Cc1ccncc1[C@@H]([NH3+])[C@H]1COc2ccccc2O1 ZINC000090710177 180028050 /nfs/dbraw/zinc/02/80/50/180028050.db2.gz DRLRPVWTCOLLDA-HUUCEWRRSA-N 1 0 256.305 2.230 10 0 CEAERO COc1cc(NC2(C[NH3+])CCC(C)CC2)nc(C)n1 ZINC000090787501 180040448 /nfs/dbraw/zinc/04/04/48/180040448.db2.gz YUCYNXGMWZCBGN-UHFFFAOYSA-N 1 0 264.373 2.113 10 0 CEAERO Cc1nnc(Sc2ccc(CC[NH3+])c(C)c2)n1C ZINC000104445793 186004972 /nfs/dbraw/zinc/00/49/72/186004972.db2.gz RZHXGKXXISOYRS-UHFFFAOYSA-N 1 0 262.382 2.084 10 0 CEAERO CCOc1cc(N[C@@H]2CCCC[C@H]2C[NH3+])nc(C)n1 ZINC000090787962 180041516 /nfs/dbraw/zinc/04/15/16/180041516.db2.gz KAZUKYHANWVZOX-NWDGAFQWSA-N 1 0 264.373 2.113 10 0 CEAERO CCOc1ncnc(N2CC[NH2+]Cc3ccccc32)c1C ZINC000090789597 180041765 /nfs/dbraw/zinc/04/17/65/180041765.db2.gz IMVLVGRIKYEFRR-UHFFFAOYSA-N 1 0 284.363 2.425 10 0 CEAERO CCOc1ncnc(NC[C@H]2CCC[N@@H+]2CC)c1C ZINC000090790669 180041838 /nfs/dbraw/zinc/04/18/38/180041838.db2.gz BTELDDNDDAJMGV-GFCCVEGCSA-N 1 0 264.373 2.080 10 0 CEAERO CCOc1ncnc(NCC(C)(C)C[NH+](C)C)c1C ZINC000090790604 180042249 /nfs/dbraw/zinc/04/22/49/180042249.db2.gz QLJSSJBBOZVDKW-UHFFFAOYSA-N 1 0 266.389 2.183 10 0 CEAERO CCOc1ncnc(OC[C@H]2CCCC[C@H]2C[NH3+])c1C ZINC000090789860 180042288 /nfs/dbraw/zinc/04/22/88/180042288.db2.gz WTCLUCRGFKEACH-QWHCGFSZSA-N 1 0 279.384 2.328 10 0 CEAERO CCOc1cc(NC[C@H](C)C[NH+]2CCCC2)nc(C)n1 ZINC000090792452 180042521 /nfs/dbraw/zinc/04/25/21/180042521.db2.gz PNMPVPDDJXRNPB-LBPRGKRZSA-N 1 0 278.400 2.328 10 0 CEAERO Cn1c2cccc(F)c2nc1-c1csc(C[NH3+])n1 ZINC000090932837 180066952 /nfs/dbraw/zinc/06/69/52/180066952.db2.gz FXKMKPDTURYOQJ-UHFFFAOYSA-N 1 0 262.313 2.295 10 0 CEAERO C[NH2+][C@@H]1C[C@@H](OC[C@@H]2CCOC2)C12CCCCC2 ZINC000090862916 180047171 /nfs/dbraw/zinc/04/71/71/180047171.db2.gz MYIMBAHLJIHQCW-MGPQQGTHSA-N 1 0 253.386 2.350 10 0 CEAERO COc1c(C[NH2+]C[C@@H]2CCCC23CC3)c(C)nn1C ZINC000623824955 350118275 /nfs/dbraw/zinc/11/82/75/350118275.db2.gz TVLLWFBXAYFBNL-LBPRGKRZSA-N 1 0 263.385 2.407 10 0 CEAERO [NH3+]CCN(C[C@H]1Cc2ccccc2O1)C1CCCC1 ZINC000090874075 180050178 /nfs/dbraw/zinc/05/01/78/180050178.db2.gz RFZLUYLHNBSPHH-OAHLLOKOSA-N 1 0 260.381 2.193 10 0 CEAERO CNC(=O)[C@H](C)Sc1cccc(C[NH2+]C(C)C)c1 ZINC000090871896 180050296 /nfs/dbraw/zinc/05/02/96/180050296.db2.gz BCHGLUPNBVIWJE-NSHDSACASA-N 1 0 266.410 2.411 10 0 CEAERO CCC[NH2+]C[C@H]1CCCN1C[C@@H]1Cc2ccccc2O1 ZINC000090875357 180051092 /nfs/dbraw/zinc/05/10/92/180051092.db2.gz CPTDFBDMZHUYJY-CVEARBPZSA-N 1 0 274.408 2.454 10 0 CEAERO CC(C)C[C@](C)(O)C[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000090874816 180051219 /nfs/dbraw/zinc/05/12/19/180051219.db2.gz BDCYUZXYPCAYLB-ZBFHGGJFSA-N 1 0 263.381 2.377 10 0 CEAERO CC(=O)C1CC[NH+](C[C@@H]2Cc3ccccc3O2)CC1 ZINC000090874990 180051276 /nfs/dbraw/zinc/05/12/76/180051276.db2.gz NUMDDDFQYAJWOR-HNNXBMFYSA-N 1 0 259.349 2.291 10 0 CEAERO COC[C@@H]([NH2+]C[C@@H]1Cc2cc(F)ccc2O1)C(C)C ZINC000090892963 180054840 /nfs/dbraw/zinc/05/48/40/180054840.db2.gz PGICMBNUTNCQKU-UONOGXRCSA-N 1 0 267.344 2.390 10 0 CEAERO OC[C@@H]([NH2+]C[C@@H]1Cc2cc(F)ccc2O1)c1ccccc1 ZINC000090892759 180054875 /nfs/dbraw/zinc/05/48/75/180054875.db2.gz JMAMEOCRSIRQRV-JKSUJKDBSA-N 1 0 287.334 2.452 10 0 CEAERO C[NH2+]C[C@@H]1CCCN(C[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090893525 180054934 /nfs/dbraw/zinc/05/49/34/180054934.db2.gz WKCBLJBWOBGACM-WFASDCNBSA-N 1 0 278.371 2.061 10 0 CEAERO CC[N@H+](CCC(N)=S)C[C@H]1Cc2cc(F)ccc2O1 ZINC000090893168 180055248 /nfs/dbraw/zinc/05/52/48/180055248.db2.gz UFHZCYDTZFUIAN-GFCCVEGCSA-N 1 0 282.384 2.127 10 0 CEAERO CC[NH2+]Cc1ccnn1C[C@H]1Cc2cc(F)ccc2O1 ZINC000090895610 180056226 /nfs/dbraw/zinc/05/62/26/180056226.db2.gz FZEMJONZVDDRES-CQSZACIVSA-N 1 0 275.327 2.135 10 0 CEAERO CCC[C@@H]1CN(C[C@@H]2Cc3cc(F)ccc3O2)CC[NH2+]1 ZINC000090896097 180056257 /nfs/dbraw/zinc/05/62/57/180056257.db2.gz YBZUKBIPHVEBGV-CABCVRRESA-N 1 0 278.371 2.203 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1O)O2 ZINC000090897918 180057154 /nfs/dbraw/zinc/05/71/54/180057154.db2.gz IVTHXDXNLNQAHZ-KFWWJZLASA-N 1 0 261.365 2.192 10 0 CEAERO CCC[N@@H+](CC(N)=S)C[C@H]1Cc2cc(C)ccc2O1 ZINC000090898429 180057723 /nfs/dbraw/zinc/05/77/23/180057723.db2.gz GOUWLQLYFBRHEW-CYBMUJFWSA-N 1 0 278.421 2.297 10 0 CEAERO OC[C@H]1CCC[N@@H+]1C[C@H]1Cc2cc(Cl)ccc2O1 ZINC000090900973 180058720 /nfs/dbraw/zinc/05/87/20/180058720.db2.gz UDKBYYUYLPMZDM-CHWSQXEVSA-N 1 0 267.756 2.100 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[NH+]1CCC(CO)CC1)O2 ZINC000090900917 180059144 /nfs/dbraw/zinc/05/91/44/180059144.db2.gz SQCGEOJBLXUOQG-OAHLLOKOSA-N 1 0 261.365 2.003 10 0 CEAERO C[NH2+]Cc1cn(C[C@H]2Cc3cc(C)ccc3O2)nc1C ZINC000090901917 180059794 /nfs/dbraw/zinc/05/97/94/180059794.db2.gz CWJBSWQMJRHRNQ-OAHLLOKOSA-N 1 0 271.364 2.223 10 0 CEAERO CCCNC(=O)CC[NH2+]C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090904417 180060081 /nfs/dbraw/zinc/06/00/81/180060081.db2.gz OVMFPPFKQPNYRJ-ZDUSSCGKSA-N 1 0 296.798 2.149 10 0 CEAERO [NH3+]C[C@@H](c1ccc(OC(F)F)cc1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905904 180061194 /nfs/dbraw/zinc/06/11/94/180061194.db2.gz ZDUYVXAMCJUMSP-MJBXVCDLSA-N 1 0 298.333 2.151 10 0 CEAERO CN(C(=O)c1csc(CC[NH3+])n1)c1cccc(F)c1 ZINC000090953490 180074057 /nfs/dbraw/zinc/07/40/57/180074057.db2.gz YKOSTWQVSCMWND-UHFFFAOYSA-N 1 0 279.340 2.060 10 0 CEAERO CCCN(Cc1csc(CC[NH3+])n1)CC(F)(F)F ZINC000090958373 180075130 /nfs/dbraw/zinc/07/51/30/180075130.db2.gz XVASOZAHQLMRSH-UHFFFAOYSA-N 1 0 281.347 2.419 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+][C@H](CO)CC(C)C ZINC000090960409 180075529 /nfs/dbraw/zinc/07/55/29/180075529.db2.gz HRYKISMLLLKETJ-NSHDSACASA-N 1 0 270.398 2.203 10 0 CEAERO COCCCC[NH2+]Cc1sccc1NC(C)=O ZINC000090960507 180075573 /nfs/dbraw/zinc/07/55/73/180075573.db2.gz ISWBHOHTWVDAKP-UHFFFAOYSA-N 1 0 256.371 2.223 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+]CC1(O)CCCCC1 ZINC000090960843 180076132 /nfs/dbraw/zinc/07/61/32/180076132.db2.gz IGBLQJWOJKMFCM-UHFFFAOYSA-N 1 0 282.409 2.491 10 0 CEAERO COCC[C@H](C)[NH2+]Cc1sccc1NC(C)=O ZINC000090960804 180076213 /nfs/dbraw/zinc/07/62/13/180076213.db2.gz SAVPRSXTAIYKGE-VIFPVBQESA-N 1 0 256.371 2.221 10 0 CEAERO CC(=O)Nc1ccccc1C[NH2+][C@@H](CN(C)C)C(C)C ZINC000090962396 180077302 /nfs/dbraw/zinc/07/73/02/180077302.db2.gz ITHOIEQZQXBDKE-INIZCTEOSA-N 1 0 277.412 2.321 10 0 CEAERO [NH3+]Cc1cccc(NC(=O)[C@@H]2Cc3ccccc32)c1 ZINC000090982566 180079552 /nfs/dbraw/zinc/07/95/52/180079552.db2.gz KQYRHWHQAHHZEP-OAHLLOKOSA-N 1 0 252.317 2.424 10 0 CEAERO [NH3+]Cc1cccc(CNC(=O)[C@@H]2Cc3ccccc32)c1 ZINC000090982608 180079672 /nfs/dbraw/zinc/07/96/72/180079672.db2.gz QZGKWFDJNNWZMI-MRXNPFEDSA-N 1 0 266.344 2.101 10 0 CEAERO O=C(Nc1nc2c(s1)C[NH2+]CC2)[C@H]1Cc2ccccc21 ZINC000090985332 180080964 /nfs/dbraw/zinc/08/09/64/180080964.db2.gz MUMJXBYJJVUKRI-NSHDSACASA-N 1 0 285.372 2.067 10 0 CEAERO [NH3+][C@@H](CNC(=O)[C@@H]1Cc2ccccc21)c1ccccc1 ZINC000090985442 180080992 /nfs/dbraw/zinc/08/09/92/180080992.db2.gz PNJVJNOIBUDBLP-CVEARBPZSA-N 1 0 266.344 2.143 10 0 CEAERO CC[NH2+]Cc1cn(Cc2noc(C)n2)c2ccccc12 ZINC000090995407 180082619 /nfs/dbraw/zinc/08/26/19/180082619.db2.gz PWDAPGXBCZDYCM-UHFFFAOYSA-N 1 0 270.336 2.491 10 0 CEAERO C[NH2+]Cc1cccn1CC(=O)Nc1ccc(Cl)cc1 ZINC000090995824 180082855 /nfs/dbraw/zinc/08/28/55/180082855.db2.gz LMPLUUHIFZJDSS-UHFFFAOYSA-N 1 0 277.755 2.500 10 0 CEAERO CCC[NH2+]Cc1cccn1CC(=O)NC1CCCC1 ZINC000090996141 180083152 /nfs/dbraw/zinc/08/31/52/180083152.db2.gz QXAWOLYEGHXYCQ-UHFFFAOYSA-N 1 0 263.385 2.047 10 0 CEAERO CC(C)(C)NC(=O)Cn1cccc1C[NH2+]C(C)(C)C ZINC000091001626 180083342 /nfs/dbraw/zinc/08/33/42/180083342.db2.gz DNUPKZUVHALXSM-UHFFFAOYSA-N 1 0 265.401 2.291 10 0 CEAERO CCC[NH2+]Cc1cccn1Cc1ncnn1CC(C)C ZINC000090996192 180083370 /nfs/dbraw/zinc/08/33/70/180083370.db2.gz HGQRAPMGPPTGOS-UHFFFAOYSA-N 1 0 275.400 2.284 10 0 CEAERO CC(C)C[NH2+]Cc1cccn1CC(=O)N[C@H](C)C(C)C ZINC000091001875 180083513 /nfs/dbraw/zinc/08/35/13/180083513.db2.gz YTZXOAAFFRNRRS-CQSZACIVSA-N 1 0 279.428 2.394 10 0 CEAERO CCCCOC(=O)Cn1ccc(C[NH2+]CCC)c1 ZINC000091003496 180084178 /nfs/dbraw/zinc/08/41/78/180084178.db2.gz IHIBJSUWWFKRDV-UHFFFAOYSA-N 1 0 252.358 2.331 10 0 CEAERO CC(C)C[NH2+]Cc1ccn(CCCC(=O)N(C)C)c1 ZINC000091004544 180084283 /nfs/dbraw/zinc/08/42/83/180084283.db2.gz MEGDXIIFVPPOGV-UHFFFAOYSA-N 1 0 265.401 2.102 10 0 CEAERO CCC[NH2+]Cc1ccn(Cc2nc(CCC)no2)c1 ZINC000091003551 180084312 /nfs/dbraw/zinc/08/43/12/180084312.db2.gz VDTWTXGHKZFPCO-UHFFFAOYSA-N 1 0 262.357 2.372 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccn(CCOC(F)(F)F)c1 ZINC000091006310 180084748 /nfs/dbraw/zinc/08/47/48/180084748.db2.gz CSQPWPXNDYJRJL-SNVBAGLBSA-N 1 0 250.264 2.304 10 0 CEAERO CCN(Cc1ccc(OC)cc1)C(=O)C[NH2+]C(C)(C)C ZINC000091015731 180086210 /nfs/dbraw/zinc/08/62/10/180086210.db2.gz CCRKGKUZNJCEHY-UHFFFAOYSA-N 1 0 278.396 2.432 10 0 CEAERO O[C@@H](C[NH2+]Cc1c[nH]c2ncccc12)c1ccccc1 ZINC000091016363 180087183 /nfs/dbraw/zinc/08/71/83/180087183.db2.gz GTELYNDLUDKBDL-HNNXBMFYSA-N 1 0 267.332 2.386 10 0 CEAERO Cc1nc(Cn2cc(C[NH3+])c3cccnc32)cs1 ZINC000091018655 180087215 /nfs/dbraw/zinc/08/72/15/180087215.db2.gz DNNOTGWPYCFWKY-UHFFFAOYSA-N 1 0 258.350 2.308 10 0 CEAERO C[NH2+]Cc1cn(CCOCC(F)(F)F)c2ncccc12 ZINC000091019508 180087659 /nfs/dbraw/zinc/08/76/59/180087659.db2.gz ONBDJPNKJZQRIQ-UHFFFAOYSA-N 1 0 287.285 2.335 10 0 CEAERO CC[NH2+]Cc1cn(C[C@@H]2CCCO2)c2ncccc12 ZINC000091019947 180087967 /nfs/dbraw/zinc/08/79/67/180087967.db2.gz BEJJQQFHXQAGNB-ZDUSSCGKSA-N 1 0 259.353 2.325 10 0 CEAERO CC[NH2+]Cc1cn(CCCC(=O)OC)c2ncccc12 ZINC000091020062 180088229 /nfs/dbraw/zinc/08/82/29/180088229.db2.gz QHTJUYZMJXIRAO-UHFFFAOYSA-N 1 0 275.352 2.099 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1Cc1c[nH]c2ncccc12 ZINC000091019546 180088301 /nfs/dbraw/zinc/08/83/01/180088301.db2.gz LYWOPZFHDSNZIR-CYBMUJFWSA-N 1 0 258.369 2.137 10 0 CEAERO CC(C)C[NH2+]Cc1cn(C[C@H](C)O)c2ncccc12 ZINC000091021162 180088698 /nfs/dbraw/zinc/08/86/98/180088698.db2.gz VHNNATTXLAOHMO-LBPRGKRZSA-N 1 0 261.369 2.163 10 0 CEAERO CCn1cccc1C[NH2+]C[C@@H](CC(C)C)N1CCOCC1 ZINC000091023004 180088777 /nfs/dbraw/zinc/08/87/77/180088777.db2.gz NCILXSQAHOLPSY-QGZVFWFLSA-N 1 0 293.455 2.345 10 0 CEAERO C[C@@H]([NH3+])Cc1cn(Cc2ccncc2)c2ncccc12 ZINC000091021546 180088859 /nfs/dbraw/zinc/08/88/59/180088859.db2.gz BXBSIQQJGSYDRN-GFCCVEGCSA-N 1 0 266.348 2.369 10 0 CEAERO [NH3+]CCc1nc(-c2nc3cnccc3s2)cs1 ZINC000090936132 180067871 /nfs/dbraw/zinc/06/78/71/180067871.db2.gz VGGBCTBNJDMKOL-UHFFFAOYSA-N 1 0 262.363 2.316 10 0 CEAERO [NH3+]CCc1nc(-c2nc(Cc3ccccc3)no2)cs1 ZINC000090938533 180068099 /nfs/dbraw/zinc/06/80/99/180068099.db2.gz BUTVVXLZPROODH-UHFFFAOYSA-N 1 0 286.360 2.285 10 0 CEAERO CC(C)CCCOC(=O)c1csc(CC[NH3+])n1 ZINC000090939781 180068177 /nfs/dbraw/zinc/06/81/77/180068177.db2.gz KAFAXXODFFPWCI-UHFFFAOYSA-N 1 0 256.371 2.237 10 0 CEAERO Cn1c(C[C@@H]2CSCC[NH2+]2)nc2cccc(Cl)c21 ZINC000091128604 180100336 /nfs/dbraw/zinc/10/03/36/180100336.db2.gz WHHDNICNTLJZRF-SECBINFHSA-N 1 0 281.812 2.474 10 0 CEAERO CCCCC[N@H+](C(C)C)[C@H](CN)CC(=O)NCCC ZINC000091317353 180133570 /nfs/dbraw/zinc/13/35/70/180133570.db2.gz JNHYMVALZMREMR-AWEZNQCLSA-N 1 0 271.449 2.131 10 0 CEAERO CCN(c1cccc(C)c1)[C@H](C[NH3+])CC(=O)NC(C)C ZINC000091318335 180133726 /nfs/dbraw/zinc/13/37/26/180133726.db2.gz SCUOJMSAHAMUGU-HNNXBMFYSA-N 1 0 277.412 2.063 10 0 CEAERO CCN(CC)C(=O)C[C@H](CN)[N@H+](C)CC1CCCCC1 ZINC000091322785 180134597 /nfs/dbraw/zinc/13/45/97/180134597.db2.gz RKAPTKPCKQUDSP-OAHLLOKOSA-N 1 0 283.460 2.084 10 0 CEAERO COCC[NH2+]Cc1cnn(-c2cc(C)ccn2)c1C(F)F ZINC000091338368 180136295 /nfs/dbraw/zinc/13/62/95/180136295.db2.gz RKDSVKAWEADTSQ-UHFFFAOYSA-N 1 0 296.321 2.249 10 0 CEAERO CCCCn1ncc(C[NH2+]CCOC)c1C(F)F ZINC000091337706 180136327 /nfs/dbraw/zinc/13/63/27/180136327.db2.gz HTKPGVCTRPNMQH-UHFFFAOYSA-N 1 0 261.316 2.357 10 0 CEAERO CCC(CC)N(CCO)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091360764 180141195 /nfs/dbraw/zinc/14/11/95/180141195.db2.gz FULRLZAVGFGXSU-BPUTZDHNSA-N 1 0 296.455 2.307 10 0 CEAERO COC[C@H](C)N(C)C[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091362523 180141771 /nfs/dbraw/zinc/14/17/71/180141771.db2.gz FDIOMCJIXVOSPL-AJNGGQMLSA-N 1 0 254.418 2.264 10 0 CEAERO C[C@@H]1C[C@@H]1CN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091361386 180141908 /nfs/dbraw/zinc/14/19/08/180141908.db2.gz LAAHZURBKCRXHV-SEBNEYGDSA-N 1 0 264.413 2.412 10 0 CEAERO COc1ccc([C@H]([NH2+]CCNC(=O)C2CC2)C2CC2)cc1 ZINC000091263864 180116407 /nfs/dbraw/zinc/11/64/07/180116407.db2.gz PSMGNBOZXVFBEC-MRXNPFEDSA-N 1 0 288.391 2.262 10 0 CEAERO CCC[NH2+]Cc1c(C)nn(C)c1S[C@@H](C)CCO ZINC000091268359 180117164 /nfs/dbraw/zinc/11/71/64/180117164.db2.gz MNWOKLDZRBBPAW-JTQLQIEISA-N 1 0 271.430 2.091 10 0 CEAERO CCCN1CC[C@H](C[NH2+]C)[C@@H]1c1cncn1C1CC1 ZINC000091275430 180118918 /nfs/dbraw/zinc/11/89/18/180118918.db2.gz BOWYKKJGOUNBQK-IUODEOHRSA-N 1 0 262.401 2.210 10 0 CEAERO CN(c1ccccc1)[C@@H](C[NH3+])c1cncn1C1CC1 ZINC000091276154 180119004 /nfs/dbraw/zinc/11/90/04/180119004.db2.gz COPRDCSSBZQJMT-AWEZNQCLSA-N 1 0 256.353 2.354 10 0 CEAERO [NH3+]C[C@H](c1cncn1C1CC1)N1Cc2ccccc2C1 ZINC000091276506 180119694 /nfs/dbraw/zinc/11/96/94/180119694.db2.gz YSKRLMQRIGPAHE-OAHLLOKOSA-N 1 0 268.364 2.234 10 0 CEAERO c1ncn(C2CC2)c1CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000091277008 180119920 /nfs/dbraw/zinc/11/99/20/180119920.db2.gz SGFPTHWVGRWDFM-BBRMVZONSA-N 1 0 274.412 2.182 10 0 CEAERO COc1ccc(N[C@H](C[NH3+])c2cncn2C2CC2)cc1 ZINC000091276627 180120373 /nfs/dbraw/zinc/12/03/73/180120373.db2.gz QCQGHKUTMDJBJN-CQSZACIVSA-N 1 0 272.352 2.339 10 0 CEAERO Cc1ccc(N(C)C(=O)C[C@@H]2CSCC[NH2+]2)c(C)c1 ZINC000091290784 180122191 /nfs/dbraw/zinc/12/21/91/180122191.db2.gz CRYAQYOKJVJLKM-CYBMUJFWSA-N 1 0 278.421 2.361 10 0 CEAERO COc1ccc(CN(C)CC[C@H]2CSCC[NH2+]2)cc1 ZINC000091292074 180123907 /nfs/dbraw/zinc/12/39/07/180123907.db2.gz OSXJVBOHGUSPJK-AWEZNQCLSA-N 1 0 280.437 2.222 10 0 CEAERO CCn1c(C[C@@H]2C[NH2+]CCO2)nc2cccc(Cl)c21 ZINC000091293307 180124021 /nfs/dbraw/zinc/12/40/21/180124021.db2.gz UJTQICRYTDUPJN-SNVBAGLBSA-N 1 0 279.771 2.241 10 0 CEAERO CCC1CCC(c2noc(C[C@H]3C[NH2+]CCO3)n2)CC1 ZINC000091295182 180124524 /nfs/dbraw/zinc/12/45/24/180124524.db2.gz NIOBZNZPKLQKAC-BPCQOVAHSA-N 1 0 279.384 2.284 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(c2nc3c(s2)CCCC3=O)C1 ZINC000091432673 180153706 /nfs/dbraw/zinc/15/37/06/180153706.db2.gz JOCLIYGOYHNRSG-SNVBAGLBSA-N 1 0 279.409 2.193 10 0 CEAERO C[NH2+]Cc1cncc(Oc2cncc(Cl)c2)n1 ZINC000091435467 180154388 /nfs/dbraw/zinc/15/43/88/180154388.db2.gz IBXDGZBVXXVEFD-UHFFFAOYSA-N 1 0 250.689 2.037 10 0 CEAERO CC(C)(C)[NH2+]Cc1cncc(OC[C@H]2CCCCO2)n1 ZINC000091433423 180154506 /nfs/dbraw/zinc/15/45/06/180154506.db2.gz YVMLXABFVIYLGT-CYBMUJFWSA-N 1 0 279.384 2.313 10 0 CEAERO C[NH2+]Cc1cncc(Oc2cc(F)ccc2F)n1 ZINC000091435259 180154519 /nfs/dbraw/zinc/15/45/19/180154519.db2.gz CVPSNAZVJWYDME-UHFFFAOYSA-N 1 0 251.236 2.267 10 0 CEAERO CO[C@@H]1CCC[C@H](Oc2cncc(C[NH2+]C(C)C)n2)C1 ZINC000091435424 180154677 /nfs/dbraw/zinc/15/46/77/180154677.db2.gz GBGROLFAGAKWNO-KGLIPLIRSA-N 1 0 279.384 2.311 10 0 CEAERO CC[NH2+]Cc1cncc(Oc2cccc(N(C)C)c2)n1 ZINC000091435030 180154757 /nfs/dbraw/zinc/15/47/57/180154757.db2.gz JCPVHXIJKRVZMQ-UHFFFAOYSA-N 1 0 272.352 2.444 10 0 CEAERO COCC[N@H+](Cc1cccc(Cl)n1)[C@@H](C)COC ZINC000091439394 180156196 /nfs/dbraw/zinc/15/61/96/180156196.db2.gz WTTPJRLDXFKPAM-NSHDSACASA-N 1 0 272.776 2.218 10 0 CEAERO Cc1ccc([C@H](O)CCN2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091450290 180158217 /nfs/dbraw/zinc/15/82/17/180158217.db2.gz KLIKGIPWVRVPMF-DLBZAZTESA-N 1 0 276.424 2.445 10 0 CEAERO CN(CC1CC(O)C1)c1cc(Cl)ccc1C[NH3+] ZINC000091462216 180162109 /nfs/dbraw/zinc/16/21/09/180162109.db2.gz HIQYCAFXKLVZKU-UHFFFAOYSA-N 1 0 254.761 2.006 10 0 CEAERO CC[C@@H]([NH3+])Cc1noc(-c2ccncc2Cl)n1 ZINC000091464210 180163327 /nfs/dbraw/zinc/16/33/27/180163327.db2.gz FJYFKMPSTYATEP-SSDOTTSWSA-N 1 0 252.705 2.065 10 0 CEAERO CC(C)[NH2+]C[C@H](O)Cc1ccc(OC(F)(F)F)cc1 ZINC000091465522 180163801 /nfs/dbraw/zinc/16/38/01/180163801.db2.gz XQMGRSTXNSRHDP-LLVKDONJSA-N 1 0 277.286 2.487 10 0 CEAERO CCc1nn(CC)c(C[C@@](C)(O)CC[NH2+]C)c1Cl ZINC000091467915 180164154 /nfs/dbraw/zinc/16/41/54/180164154.db2.gz ZHADGHPGOLPXTK-ZDUSSCGKSA-N 1 0 273.808 2.022 10 0 CEAERO CC(C)C[NH2+]C[C@H](O)Cc1ccc2ccccc2n1 ZINC000091466638 180164514 /nfs/dbraw/zinc/16/45/14/180164514.db2.gz ZDHKINKHRNZURE-OAHLLOKOSA-N 1 0 258.365 2.384 10 0 CEAERO COc1cccc(C[C@](C)(O)CC[NH2+]C(C)C)c1 ZINC000091468116 180164693 /nfs/dbraw/zinc/16/46/93/180164693.db2.gz JDXBEWKQIUTPQT-OAHLLOKOSA-N 1 0 251.370 2.377 10 0 CEAERO CCC[NH2+]CC[C@](C)(O)c1ccc(OC)cc1OC ZINC000091470021 180164712 /nfs/dbraw/zinc/16/47/12/180164712.db2.gz XUJWHBUNUSDFQD-HNNXBMFYSA-N 1 0 267.369 2.301 10 0 CEAERO CCCCC1CCC(C(=O)N2CC(C[NH3+])C2)CC1 ZINC000091487736 180167978 /nfs/dbraw/zinc/16/79/78/180167978.db2.gz AGDCZPFTHXULFN-UHFFFAOYSA-N 1 0 252.402 2.400 10 0 CEAERO Cc1ccc(-c2nnc(C[N@H+](C)CC3CC(O)C3)o2)cc1 ZINC000091490870 180169981 /nfs/dbraw/zinc/16/99/81/180169981.db2.gz TUDQHJRTVXXDRS-UHFFFAOYSA-N 1 0 287.363 2.248 10 0 CEAERO CC1(C)C(C(=O)N[C@H](C[NH3+])c2ccccc2)C1(C)C ZINC000091494702 180171194 /nfs/dbraw/zinc/17/11/94/180171194.db2.gz DMDDFFNCPUZPQZ-GFCCVEGCSA-N 1 0 260.381 2.485 10 0 CEAERO CC1(C)C(C(=O)NC[C@@H]2CCC[C@@H]2C[NH3+])C1(C)C ZINC000091494729 180171395 /nfs/dbraw/zinc/17/13/95/180171395.db2.gz DQRHHZDVSVFDTL-MNOVXSKESA-N 1 0 252.402 2.160 10 0 CEAERO Cc1ccc(CC(=O)N[C@@H]2CCC[NH2+][C@H]2C)cc1C ZINC000091496638 180172762 /nfs/dbraw/zinc/17/27/62/180172762.db2.gz HMZLWQSKLPESBA-DZGCQCFKSA-N 1 0 260.381 2.103 10 0 CEAERO C[NH+](C)[C@H]1CCCN(Cc2ccc(N)c(Cl)c2)C1 ZINC000091392170 180144638 /nfs/dbraw/zinc/14/46/38/180144638.db2.gz DJLGHKGKHJFPHP-LBPRGKRZSA-N 1 0 267.804 2.448 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(Cc2ccc3nc(N)sc3c2)C1 ZINC000091392964 180145464 /nfs/dbraw/zinc/14/54/64/180145464.db2.gz KIKASCRRCLOATC-GFCCVEGCSA-N 1 0 290.436 2.405 10 0 CEAERO C[C@H](O)C(C)(C)CN1CCC([NH+]2CCCCC2)CC1 ZINC000091405782 180147864 /nfs/dbraw/zinc/14/78/64/180147864.db2.gz WOMFTOIMBFCPDR-AWEZNQCLSA-N 1 0 268.445 2.344 10 0 CEAERO O=C(N[C@H](c1cccs1)c1ccc(F)cc1)C1C[NH2+]C1 ZINC000091415313 180149734 /nfs/dbraw/zinc/14/97/34/180149734.db2.gz HTTBUDKHZQUUIN-AWEZNQCLSA-N 1 0 290.363 2.312 10 0 CEAERO CCc1cc(C[C@@H]([NH2+]C)C(C)(C)N2CCCCC2)n(C)n1 ZINC000091564881 180193601 /nfs/dbraw/zinc/19/36/01/180193601.db2.gz KMWDUGYFJUMHSA-MRXNPFEDSA-N 1 0 292.471 2.378 10 0 CEAERO C[NH2+][C@H](c1ccsc1)C(C)(C)N1CCOCC1 ZINC000091566453 180194052 /nfs/dbraw/zinc/19/40/52/180194052.db2.gz NLDPMRUADAQWFM-GFCCVEGCSA-N 1 0 254.399 2.119 10 0 CEAERO CC(C)([C@H]([NH3+])C[C@H]1Cc2ccccc21)N1CCOCC1 ZINC000091566151 180194065 /nfs/dbraw/zinc/19/40/65/180194065.db2.gz VCRIUXQGHOWMSC-GDBMZVCRSA-N 1 0 274.408 2.155 10 0 CEAERO CC(C)([C@@H](O)Cc1ccc2c(c1)CCC2)[NH+]1CCOCC1 ZINC000091565949 180194131 /nfs/dbraw/zinc/19/41/31/180194131.db2.gz PJGDOSARSUHUDG-KRWDZBQOSA-N 1 0 289.419 2.190 10 0 CEAERO CC[NH2+][C@@H](c1cccc(OC)c1)C(C)(C)N1CCOCC1 ZINC000091566834 180194587 /nfs/dbraw/zinc/19/45/87/180194587.db2.gz CDCVNKQNRGGFEV-INIZCTEOSA-N 1 0 292.423 2.457 10 0 CEAERO CCC[NH2+][C@H](c1ccnn1CC)C(C)(C)N1CCOCC1 ZINC000091567085 180195054 /nfs/dbraw/zinc/19/50/54/180195054.db2.gz HJBTYSRKRXYIPL-OAHLLOKOSA-N 1 0 294.443 2.055 10 0 CEAERO CCCn1ccnc1[C@@H](NC)[C@](C)(CC)[NH+](C)C ZINC000091570787 180195297 /nfs/dbraw/zinc/19/52/97/180195297.db2.gz XDPVQLMXAYOZOU-OCCSQVGLSA-N 1 0 252.406 2.284 10 0 CEAERO CC[C@@](C)([C@@H](N)Cc1ccc(OC)c(F)c1)[NH+](C)C ZINC000091569646 180195345 /nfs/dbraw/zinc/19/53/45/180195345.db2.gz BRCKOKKNQWICIP-GJZGRUSLSA-N 1 0 268.376 2.434 10 0 CEAERO CCc1cc(C[C@H](O)[C@](C)(CC)[NH+](C)C)n(CC)n1 ZINC000091569054 180195402 /nfs/dbraw/zinc/19/54/02/180195402.db2.gz VNCYUBHXZFLMJW-GJZGRUSLSA-N 1 0 267.417 2.099 10 0 CEAERO CC[C@](C)([C@@H](O)Cc1c(Cl)c(C)nn1C)[NH+](C)C ZINC000091569491 180195579 /nfs/dbraw/zinc/19/55/79/180195579.db2.gz AEGPMSAXPWXOKA-WCQYABFASA-N 1 0 273.808 2.016 10 0 CEAERO CCc1nn(C)c(C[C@@H](N)[C@](C)(CC)[NH+](C)C)c1Cl ZINC000091569787 180195795 /nfs/dbraw/zinc/19/57/95/180195795.db2.gz RUMSPCWBHPXYBE-OCCSQVGLSA-N 1 0 286.851 2.236 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@H](N)Cc1ncnn1CC(C)C ZINC000091573473 180196071 /nfs/dbraw/zinc/19/60/71/180196071.db2.gz OWEKZTIWOPPQIK-GDBMZVCRSA-N 1 0 295.475 2.314 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@@H](N)c1cnccc1N ZINC000091573710 180196290 /nfs/dbraw/zinc/19/62/90/180196290.db2.gz FFUHCZBPPQPTKX-KBPBESRZSA-N 1 0 250.390 2.174 10 0 CEAERO CCn1nccc1[C@H](O)[C@@](C)(CC)[NH+](CC)CC ZINC000091572771 180196434 /nfs/dbraw/zinc/19/64/34/180196434.db2.gz JGTZXSFXPFNLOL-UONOGXRCSA-N 1 0 253.390 2.447 10 0 CEAERO CCN(CC)[C@](C)(CC)[C@H]([NH3+])CCCS(=O)(=O)CC ZINC000091573469 180196474 /nfs/dbraw/zinc/19/64/74/180196474.db2.gz XCBZCJKFVOGESH-ZIAGYGMSSA-N 1 0 292.489 2.039 10 0 CEAERO CCC[NH2+][C@H](c1cnccn1)[C@@](C)(CC)N(C)C ZINC000091571781 180196618 /nfs/dbraw/zinc/19/66/18/180196618.db2.gz QTZLKZYICBQNLU-ZIAGYGMSSA-N 1 0 250.390 2.248 10 0 CEAERO CCC[NH2+][C@@H](c1nccn1C)[C@](C)(CC)N(C)C ZINC000091571886 180196710 /nfs/dbraw/zinc/19/67/10/180196710.db2.gz YPJHDJMNIMFYCQ-JSGCOSHPSA-N 1 0 252.406 2.191 10 0 CEAERO CCCN1C(=O)C[C@H]([NH2+][C@H](C)c2cccc(F)c2)C1=O ZINC000105088424 186042589 /nfs/dbraw/zinc/04/25/89/186042589.db2.gz WORPTAONAUGGET-MFKMUULPSA-N 1 0 278.327 2.014 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@@H](N)Cc1ncnn1C(C)C ZINC000091598925 180202066 /nfs/dbraw/zinc/20/20/66/180202066.db2.gz JSGFJVAVFDOUSQ-DZGCQCFKSA-N 1 0 281.448 2.239 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@@H](NC)c1cccnc1N ZINC000091600082 180202503 /nfs/dbraw/zinc/20/25/03/180202503.db2.gz WXLFPZPCBZZRNZ-ZFWWWQNUSA-N 1 0 264.417 2.435 10 0 CEAERO CC[C@@](C)([C@@H](N)Cc1ncnn1CC(C)C)[NH+]1CCCC1 ZINC000091604451 180203158 /nfs/dbraw/zinc/20/31/58/180203158.db2.gz UQPORGAQIQSKES-HOCLYGCPSA-N 1 0 293.459 2.068 10 0 CEAERO CC[C@@](C)([C@H](NC)c1cc(C)cnc1N)[NH+]1CCCC1 ZINC000091606172 180204051 /nfs/dbraw/zinc/20/40/51/180204051.db2.gz INOUANOGDVAXSK-ZBFHGGJFSA-N 1 0 276.428 2.497 10 0 CEAERO CC[NH2+][C@@H](c1cnn(C)c1)[C@](C)(CC)N1CCCC1 ZINC000091607387 180204613 /nfs/dbraw/zinc/20/46/13/180204613.db2.gz XMAHFVDEUUSWOS-GJZGRUSLSA-N 1 0 264.417 2.335 10 0 CEAERO CC[C@@](C)([C@@H](N)Cc1ncnn1C(C)C)[NH+]1CCCCC1 ZINC000091609539 180205742 /nfs/dbraw/zinc/20/57/42/180205742.db2.gz DSPKWGHGIBZJGK-HOCLYGCPSA-N 1 0 293.459 2.383 10 0 CEAERO CC[C@@](C)([C@@H](Cc1cccnc1N)[NH2+]C)N1CCCCC1 ZINC000091609745 180205876 /nfs/dbraw/zinc/20/58/76/180205876.db2.gz LHRNBRIKZZXRPL-WBVHZDCISA-N 1 0 290.455 2.449 10 0 CEAERO CC[C@](C)([C@H](N)c1cnn(C)c1)[NH+]1CCCCC1 ZINC000091609270 180205909 /nfs/dbraw/zinc/20/59/09/180205909.db2.gz MHIGEWKRKCQKHH-ZIAGYGMSSA-N 1 0 250.390 2.075 10 0 CEAERO CC[C@@](C)([C@H]([NH3+])c1ccc(F)c(F)c1)N1CCOCC1 ZINC000091611925 180206324 /nfs/dbraw/zinc/20/63/24/180206324.db2.gz BXIPGYAFNCATNA-CABCVRRESA-N 1 0 284.350 2.466 10 0 CEAERO CC[C@@](C)([C@@H](O)c1ccc(OC)cc1)[NH+]1CCOCC1 ZINC000091611171 180206522 /nfs/dbraw/zinc/20/65/22/180206522.db2.gz VWXCKKIONSJPBH-HOTGVXAUSA-N 1 0 279.380 2.230 10 0 CEAERO CC[C@](C)([C@@H]([NH3+])C1CCCCC1)N1CCOCC1 ZINC000091611852 180206672 /nfs/dbraw/zinc/20/66/72/180206672.db2.gz NJMUMDIROUTINL-LSDHHAIUSA-N 1 0 254.418 2.395 10 0 CEAERO CC[NH2+][C@H](CC1CCOCC1)[C@](C)(CC)N1CCOCC1 ZINC000091612797 180207172 /nfs/dbraw/zinc/20/71/72/180207172.db2.gz DNTNBNSRCBXAIQ-SJORKVTESA-N 1 0 298.471 2.282 10 0 CEAERO CC[C@@](C)([C@@H]([NH3+])c1ccc(OC)c(F)c1)N1CCOCC1 ZINC000091612163 180207536 /nfs/dbraw/zinc/20/75/36/180207536.db2.gz HYVCNWFLJVRDSB-HOTGVXAUSA-N 1 0 296.386 2.335 10 0 CEAERO CC[NH+](CC)C(CC)(CC)[C@@H](O)c1nccn1C ZINC000091615700 180207828 /nfs/dbraw/zinc/20/78/28/180207828.db2.gz WJENKJSIOLKTNM-LBPRGKRZSA-N 1 0 253.390 2.354 10 0 CEAERO CCc1cc(C[C@H]([NH2+]C)C(CC)(CC)N(C)C)n(C)n1 ZINC000091614452 180208097 /nfs/dbraw/zinc/20/80/97/180208097.db2.gz QJBUIFBARBOXPV-HNNXBMFYSA-N 1 0 280.460 2.233 10 0 CEAERO COCC[NH2+]CC[C@@](C)(O)Cc1ccc2c(c1)CCC2 ZINC000091521881 180178127 /nfs/dbraw/zinc/17/81/27/180178127.db2.gz ZSNXBAOUUNELPN-QGZVFWFLSA-N 1 0 277.408 2.095 10 0 CEAERO COCC[NH2+]CC[C@@](C)(O)Cc1cc(C)cc(C)c1 ZINC000091521056 180178160 /nfs/dbraw/zinc/17/81/60/180178160.db2.gz GCSNPTGNMUJYJQ-MRXNPFEDSA-N 1 0 265.397 2.223 10 0 CEAERO COCC[NH2+]CC[C@](C)(O)c1cc(Cl)ccc1OC ZINC000091519494 180178235 /nfs/dbraw/zinc/17/82/35/180178235.db2.gz COPATMSCHBJQKN-AWEZNQCLSA-N 1 0 287.787 2.182 10 0 CEAERO CCCn1c2ccc(Cl)cc2nc1C[C@](C)(O)C[NH3+] ZINC000091523229 180178455 /nfs/dbraw/zinc/17/84/55/180178455.db2.gz JLCKNLCSAKVAET-AWEZNQCLSA-N 1 0 281.787 2.352 10 0 CEAERO CCCS(=O)(=O)c1ccccc1NCC1CC([NH3+])C1 ZINC000091525276 180178910 /nfs/dbraw/zinc/17/89/10/180178910.db2.gz DEOVOZVOYMCJIP-UHFFFAOYSA-N 1 0 282.409 2.020 10 0 CEAERO COc1ccc([C@@H](O)C(C)(C)[NH+](C)C)cc1OC ZINC000091528187 180180024 /nfs/dbraw/zinc/18/00/24/180180024.db2.gz DIIVMDWBRNDIHL-CYBMUJFWSA-N 1 0 253.342 2.077 10 0 CEAERO C[NH2+][C@H](Cc1cccc(F)c1F)C(C)(C)N(C)C ZINC000091528571 180180326 /nfs/dbraw/zinc/18/03/26/180180326.db2.gz ABBIDLHABARMDE-GFCCVEGCSA-N 1 0 256.340 2.436 10 0 CEAERO CCC[NH2+][C@@H](Cc1ncnn1C(C)C)C(C)(C)N(C)C ZINC000091529638 180180805 /nfs/dbraw/zinc/18/08/05/180180805.db2.gz DGAKQZXFIZCHBW-ZDUSSCGKSA-N 1 0 281.448 2.110 10 0 CEAERO CCN(CC)C(C)(C)[C@@H]([NH2+]C)c1cc(C)cnc1N ZINC000091530709 180180962 /nfs/dbraw/zinc/18/09/62/180180962.db2.gz GUIVJYNVOXJEDR-ZDUSSCGKSA-N 1 0 264.417 2.353 10 0 CEAERO C[NH2+][C@H](CC[C@@H]1CCCO1)C(C)(C)N1CCCC1 ZINC000091534548 180181329 /nfs/dbraw/zinc/18/13/29/180181329.db2.gz BCACUXIIJDDZTR-UONOGXRCSA-N 1 0 254.418 2.408 10 0 CEAERO COc1ccccc1C[C@H](O)C(C)(C)[NH+]1CCCC1 ZINC000091533274 180181483 /nfs/dbraw/zinc/18/14/83/180181483.db2.gz SKVTUFSOYRDGQL-HNNXBMFYSA-N 1 0 263.381 2.473 10 0 CEAERO CCCn1ccnc1[C@H](O)C(C)(C)[NH+]1CCCC1 ZINC000091533395 180181537 /nfs/dbraw/zinc/18/15/37/180181537.db2.gz UPUFMMRMBOQSRO-LBPRGKRZSA-N 1 0 251.374 2.201 10 0 CEAERO CC[NH2+][C@@H](Cc1cnccc1N)C(C)(C)N1CCCC1 ZINC000091535717 180182378 /nfs/dbraw/zinc/18/23/78/180182378.db2.gz AQLQOYVZLSRROI-HNNXBMFYSA-N 1 0 276.428 2.059 10 0 CEAERO CC(C)CN(CC(F)(F)F)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091539449 180182874 /nfs/dbraw/zinc/18/28/74/180182874.db2.gz ZNTYSNSJQVDZCX-VHSXEESVSA-N 1 0 266.307 2.161 10 0 CEAERO OC1CC(C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000091538429 180183159 /nfs/dbraw/zinc/18/31/59/180183159.db2.gz BSQSHVFQZNVRLA-AQFXKWCLSA-N 1 0 274.408 2.012 10 0 CEAERO C[C@@H](NC(=O)[C@H]1CC[C@H]([NH3+])C1)c1ccccc1F ZINC000091542134 180184326 /nfs/dbraw/zinc/18/43/26/180184326.db2.gz RRVWAJXGTZYEDO-VWYCJHECSA-N 1 0 250.317 2.130 10 0 CEAERO CCN(C(=O)[C@H]1CC[C@H]([NH3+])C1)c1cccc(F)c1 ZINC000091546024 180187061 /nfs/dbraw/zinc/18/70/61/180187061.db2.gz OTXCTQWJRSCOJT-JQWIXIFHSA-N 1 0 250.317 2.306 10 0 CEAERO [NH3+][C@H]1CC[C@H](C(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000091546749 180187395 /nfs/dbraw/zinc/18/73/95/180187395.db2.gz WOKTVIZDMNZDEQ-RYUDHWBXSA-N 1 0 283.375 2.180 10 0 CEAERO CC(C)(CNC(=O)[C@H]1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000091546813 180187408 /nfs/dbraw/zinc/18/74/08/180187408.db2.gz ABNOMPJYIPHGEB-JSGCOSHPSA-N 1 0 260.381 2.208 10 0 CEAERO CCC(CC)(C(=O)Cc1cccnc1N)[NH+]1CCCC1 ZINC000091634293 180210032 /nfs/dbraw/zinc/21/00/32/180210032.db2.gz OUNIYSMQZCQRGP-UHFFFAOYSA-N 1 0 275.396 2.430 10 0 CEAERO CCC(CC)([C@H](N)Cc1cc(C)nn1C)[NH+]1CCCC1 ZINC000091634892 180211471 /nfs/dbraw/zinc/21/14/71/180211471.db2.gz WNEFSFBYTCCTJB-OAHLLOKOSA-N 1 0 278.444 2.253 10 0 CEAERO C[NH+](C)C1([C@H](N)Cc2ccncc2Cl)CCCC1 ZINC000091637212 180211602 /nfs/dbraw/zinc/21/16/02/180211602.db2.gz LYPUHFJGHNDKFA-CYBMUJFWSA-N 1 0 267.804 2.479 10 0 CEAERO COc1ccccc1C[C@H](O)C1([NH+](C)C)CCCC1 ZINC000091636761 180211722 /nfs/dbraw/zinc/21/17/22/180211722.db2.gz QPGSORIZCLEIOL-HNNXBMFYSA-N 1 0 263.381 2.473 10 0 CEAERO CCc1cc(CC(=O)C2([NH+](C)C)CCCC2)n(CC)n1 ZINC000091635909 180211734 /nfs/dbraw/zinc/21/17/34/180211734.db2.gz SZGNCNRVUBUWJQ-UHFFFAOYSA-N 1 0 277.412 2.451 10 0 CEAERO CC[NH+](CC)C1([C@@H](O)c2cnn(C)c2)CCCC1 ZINC000091638973 180212380 /nfs/dbraw/zinc/21/23/80/180212380.db2.gz LIUTZAOBFFJLEL-ZDUSSCGKSA-N 1 0 251.374 2.108 10 0 CEAERO CCCn1ccnc1[C@H](N)C1([NH+](C)C)CCCC1 ZINC000091637418 180212441 /nfs/dbraw/zinc/21/24/41/180212441.db2.gz IJAWQTNEARIKHJ-LBPRGKRZSA-N 1 0 250.390 2.167 10 0 CEAERO CCCn1nccc1[C@@H]([NH2+]C)C1(N(C)C)CCCC1 ZINC000091637642 180212446 /nfs/dbraw/zinc/21/24/46/180212446.db2.gz HLKGKWKJPMDYBW-CQSZACIVSA-N 1 0 264.417 2.428 10 0 CEAERO CC[C@H](C)C[C@H]([NH3+])C1(N2CCOCC2)CCCC1 ZINC000091642843 180213880 /nfs/dbraw/zinc/21/38/80/180213880.db2.gz SLBOAXNBOXAJSS-KBPBESRZSA-N 1 0 254.418 2.395 10 0 CEAERO CC[C@@H](C)C[C@@H]([NH3+])C1(N2CCOCC2)CCCC1 ZINC000091642844 180214171 /nfs/dbraw/zinc/21/41/71/180214171.db2.gz SLBOAXNBOXAJSS-ZIAGYGMSSA-N 1 0 254.418 2.395 10 0 CEAERO C[NH2+][C@H](c1ccco1)C1(N2CCOCC2)CCCC1 ZINC000091643192 180214299 /nfs/dbraw/zinc/21/42/99/180214299.db2.gz UKFQYYPEGSKFCW-CQSZACIVSA-N 1 0 264.369 2.185 10 0 CEAERO C[NH2+][C@H](CC1CCOCC1)C1(N2CCOCC2)CCCC1 ZINC000091643140 180214340 /nfs/dbraw/zinc/21/43/40/180214340.db2.gz GVRASXAPKAFKDX-MRXNPFEDSA-N 1 0 296.455 2.036 10 0 CEAERO CC[NH2+][C@@H](c1cccnc1)C1(N2CCOCC2)CCCC1 ZINC000091646259 180215176 /nfs/dbraw/zinc/21/51/76/180215176.db2.gz JPSXLKVVGCCMQA-INIZCTEOSA-N 1 0 289.423 2.377 10 0 CEAERO C[NH+](C)C1(C(=O)Cc2cccnc2N)CCCCC1 ZINC000091646538 180215506 /nfs/dbraw/zinc/21/55/06/180215506.db2.gz RNAJFTOHSQLZMD-UHFFFAOYSA-N 1 0 261.369 2.040 10 0 CEAERO CCc1cc(C[C@@H]([NH2+]C)C2(N(C)C)CCCCC2)n(C)n1 ZINC000091647564 180215800 /nfs/dbraw/zinc/21/58/00/180215800.db2.gz FUAMGFOLHVRTFW-MRXNPFEDSA-N 1 0 292.471 2.378 10 0 CEAERO C[NH+](C)C1([C@@H](O)c2cnccc2N)CCCCCC1 ZINC000091654014 180217174 /nfs/dbraw/zinc/21/71/74/180217174.db2.gz WZNKOQRCSYSIRW-AWEZNQCLSA-N 1 0 263.385 2.352 10 0 CEAERO Cn1cc([C@H](O)C2([NH+](C)C)CCCCCC2)cn1 ZINC000091653960 180217473 /nfs/dbraw/zinc/21/74/73/180217473.db2.gz NJTDKGANKJBZLM-ZDUSSCGKSA-N 1 0 251.374 2.108 10 0 CEAERO CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H]1CCCc2cccnc21 ZINC000091660945 180218438 /nfs/dbraw/zinc/21/84/38/180218438.db2.gz JBTWUJYTEPBTGT-TZMCWYRMSA-N 1 0 275.396 2.306 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccccc1F)[C@@H]1CN(C)CCO1 ZINC000091718922 180233250 /nfs/dbraw/zinc/23/32/50/180233250.db2.gz FHSWFFJELKHTDM-HOTGVXAUSA-N 1 0 280.387 2.067 10 0 CEAERO CCC[NH2+][C@H](CC1CCCC1)[C@@H]1CN(C)CCO1 ZINC000091718963 180233369 /nfs/dbraw/zinc/23/33/69/180233369.db2.gz HPJQDBPMOPIZOR-CABCVRRESA-N 1 0 254.418 2.266 10 0 CEAERO C[NH2+][C@H](C[C@H]1CCCc2ccccc21)[C@@H]1CN(C)CCO1 ZINC000091718173 180233589 /nfs/dbraw/zinc/23/35/89/180233589.db2.gz ISVXCMXURLMGPD-NXHRZFHOSA-N 1 0 288.435 2.415 10 0 CEAERO CC[NH2+][C@@H](C1CCC(C)CC1)[C@H]1CN(C)CCO1 ZINC000091718816 180233722 /nfs/dbraw/zinc/23/37/22/180233722.db2.gz FDZAEGIEQATPAM-CVSAEHQPSA-N 1 0 254.418 2.121 10 0 CEAERO CCC[NH2+][C@H](c1ccc(F)cc1)[C@H]1CN(C)CCO1 ZINC000091719341 180234138 /nfs/dbraw/zinc/23/41/38/180234138.db2.gz KETBDPYVOCECCB-HUUCEWRRSA-N 1 0 266.360 2.197 10 0 CEAERO CCC[NH2+][C@H](c1cccc(OC)c1)[C@H]1CN(C)CCO1 ZINC000091719045 180234261 /nfs/dbraw/zinc/23/42/61/180234261.db2.gz AEPSWFDWUPSTAK-HZPDHXFCSA-N 1 0 278.396 2.067 10 0 CEAERO CCC[NH2+][C@H](Cc1ccc(F)cc1F)[C@@H]1CN(C)CCO1 ZINC000091719431 180234450 /nfs/dbraw/zinc/23/44/50/180234450.db2.gz IRWXYVFZUFQBHT-CVEARBPZSA-N 1 0 298.377 2.206 10 0 CEAERO CCC[NH2+][C@H](c1ccccc1OCC)[C@@H]1CN(C)CCO1 ZINC000091719443 180234606 /nfs/dbraw/zinc/23/46/06/180234606.db2.gz PAGVVOGYCFCLFU-DLBZAZTESA-N 1 0 292.423 2.457 10 0 CEAERO CCC[NH2+][C@@H](Cc1c(Cl)c(CC)nn1C)CN(C)C ZINC000091719964 180235881 /nfs/dbraw/zinc/23/58/81/180235881.db2.gz XCCVAIICXISREY-NSHDSACASA-N 1 0 286.851 2.108 10 0 CEAERO [NH3+][C@H](Cc1c(F)cccc1Cl)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091720470 180236305 /nfs/dbraw/zinc/23/63/05/180236305.db2.gz ZWTVDZGFWTWMPB-KMUNFCNLSA-N 1 0 298.789 2.212 10 0 CEAERO CN[C@H](c1cc(F)ccc1F)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720894 180236385 /nfs/dbraw/zinc/23/63/85/180236385.db2.gz RZHINWOJJSCNRF-BYCMXARLSA-N 1 0 282.334 2.089 10 0 CEAERO O[C@H]1COCC[C@@H]1[NH2+]C1CCC2(CCCC2)CC1 ZINC000624238494 350241116 /nfs/dbraw/zinc/24/11/16/350241116.db2.gz SGZLKICCSANPPS-KBPBESRZSA-N 1 0 253.386 2.229 10 0 CEAERO C[NH2+][C@H](c1ccc(C)cc1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721189 180238501 /nfs/dbraw/zinc/23/85/01/180238501.db2.gz HMSNNWDSCFTADV-OWCLPIDISA-N 1 0 260.381 2.119 10 0 CEAERO CCC[C@@]1(C(=O)Nn2c(C)ccc2C)CCC[NH2+]C1 ZINC000091787771 180256328 /nfs/dbraw/zinc/25/63/28/180256328.db2.gz QVRJIRXXGMKWEU-OAHLLOKOSA-N 1 0 263.385 2.345 10 0 CEAERO O[C@@H]1CCCc2sc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)nc21 ZINC000091722639 180240530 /nfs/dbraw/zinc/24/05/30/180240530.db2.gz CJMLJGLEJUEZNK-MXWKQRLJSA-N 1 0 280.393 2.049 10 0 CEAERO Cc1noc(CC[NH2+]Cc2ccccc2OC(C)C)n1 ZINC000105470424 186058980 /nfs/dbraw/zinc/05/89/80/186058980.db2.gz DUHQVWIXWJYYTF-UHFFFAOYSA-N 1 0 275.352 2.498 10 0 CEAERO CN1CCO[C@@H](C[NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC000105472692 186059724 /nfs/dbraw/zinc/05/97/24/186059724.db2.gz UFPMMICZUHOLIF-INIZCTEOSA-N 1 0 276.424 2.404 10 0 CEAERO CCN(C(=O)c1ccccc1OC)C1CCC([NH3+])CC1 ZINC000091850279 180272334 /nfs/dbraw/zinc/27/23/34/180272334.db2.gz LBURBVAXHLWEMR-UHFFFAOYSA-N 1 0 276.380 2.427 10 0 CEAERO CCCN(C(=O)[C@H](O)c1ccccc1)C1CCC([NH3+])CC1 ZINC000091852052 180273211 /nfs/dbraw/zinc/27/32/11/180273211.db2.gz SWVCLTPHBPTMDA-UYSNPLJNSA-N 1 0 290.407 2.229 10 0 CEAERO CCC(CC)NC(=O)[C@@H](C)[N@H+](C)C1CCC(=O)CC1 ZINC000091854030 180273853 /nfs/dbraw/zinc/27/38/53/180273853.db2.gz YHHIAXJKQCGXLV-LLVKDONJSA-N 1 0 268.401 2.123 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)[C@@H]2COc3ccccc32)CC1 ZINC000091854423 180274694 /nfs/dbraw/zinc/27/46/94/180274694.db2.gz ONCLGNMAVOGKLQ-SSDMNJCBSA-N 1 0 288.391 2.152 10 0 CEAERO C[NH2+][C@H](C)c1ccn(CC(=O)Nc2cccc(OC)c2)c1 ZINC000091804337 180260216 /nfs/dbraw/zinc/26/02/16/180260216.db2.gz UVOKIBYJCXPHPW-GFCCVEGCSA-N 1 0 287.363 2.416 10 0 CEAERO CCC[NH2+][C@H](C)c1ccn(CC(=O)N(CC)CC)c1 ZINC000091805893 180260547 /nfs/dbraw/zinc/26/05/47/180260547.db2.gz QEXYXWDIAXMJMM-CYBMUJFWSA-N 1 0 265.401 2.417 10 0 CEAERO CCC[NH2+][C@@H](CC)c1ccn(CCC(=O)NCC)c1 ZINC000091817980 180262689 /nfs/dbraw/zinc/26/26/89/180262689.db2.gz IQXRCFCEGVASLK-AWEZNQCLSA-N 1 0 265.401 2.465 10 0 CEAERO CCC[NH2+][C@@H](CCC)c1ccn(C[C@@H](C)C(N)=O)c1 ZINC000091823458 180263880 /nfs/dbraw/zinc/26/38/80/180263880.db2.gz UZSASKPLLGMMEF-OCCSQVGLSA-N 1 0 265.401 2.450 10 0 CEAERO CCC[C@@H]([NH2+]C)c1ccn(CC(=O)N(C)CC)c1 ZINC000091822303 180263923 /nfs/dbraw/zinc/26/39/23/180263923.db2.gz PFWIYOCFAXGIKI-CYBMUJFWSA-N 1 0 251.374 2.027 10 0 CEAERO CCC[C@@H]([NH3+])c1ccn(CC(=O)NC(C)(C)C)c1 ZINC000091821146 180264098 /nfs/dbraw/zinc/26/40/98/180264098.db2.gz MGAQIFOSTMHWGP-GFCCVEGCSA-N 1 0 251.374 2.203 10 0 CEAERO CCC[C@@H]([NH2+]CC)c1ccn(C[C@@H](C)C(N)=O)c1 ZINC000091822663 180264125 /nfs/dbraw/zinc/26/41/25/180264125.db2.gz JSJIWUDFPFCNMO-DGCLKSJQSA-N 1 0 251.374 2.060 10 0 CEAERO CCCCNC(=O)Cn1ccc([C@@H]([NH3+])C(C)C)c1 ZINC000091825853 180264583 /nfs/dbraw/zinc/26/45/83/180264583.db2.gz IKFVLAQJZSPDGB-AWEZNQCLSA-N 1 0 251.374 2.060 10 0 CEAERO C[NH2+][C@H](c1ccn(CC(=O)OC(C)C)c1)C(C)C ZINC000091827179 180264614 /nfs/dbraw/zinc/26/46/14/180264614.db2.gz TWUOMTDJJNYETM-AWEZNQCLSA-N 1 0 252.358 2.356 10 0 CEAERO CCCCNC(=O)Cn1ccc([C@H]([NH3+])C(C)C)c1 ZINC000091825851 180265195 /nfs/dbraw/zinc/26/51/95/180265195.db2.gz IKFVLAQJZSPDGB-CQSZACIVSA-N 1 0 251.374 2.060 10 0 CEAERO CCC[NH2+][C@H](c1ccn(CCOCCO)c1)C(C)C ZINC000091828436 180266057 /nfs/dbraw/zinc/26/60/57/180266057.db2.gz IRYDXRXVBPYFAA-HNNXBMFYSA-N 1 0 268.401 2.194 10 0 CEAERO CCC[NH2+][C@H](c1ccn(CCC(=O)NC)c1)C1CC1 ZINC000091839172 180267763 /nfs/dbraw/zinc/26/77/63/180267763.db2.gz WNUOKCLPNMYAHZ-HNNXBMFYSA-N 1 0 263.385 2.075 10 0 CEAERO CN(c1nc(C2CC2)ns1)C1CCC([NH3+])CC1 ZINC000091849536 180270814 /nfs/dbraw/zinc/27/08/14/180270814.db2.gz FJMXYRHQDDBXMS-UHFFFAOYSA-N 1 0 252.387 2.122 10 0 CEAERO CN(c1ccc(Cl)cc1C(N)=O)C1CCC([NH3+])CC1 ZINC000091849481 180271003 /nfs/dbraw/zinc/27/10/03/180271003.db2.gz HRIAJIILZVBLMW-UHFFFAOYSA-N 1 0 281.787 2.145 10 0 CEAERO CCn1cncc1[C@H](O)C1(C[NH3+])CCC(C)(C)CC1 ZINC000091926141 180287579 /nfs/dbraw/zinc/28/75/79/180287579.db2.gz UFQNPNNUHAVIPK-ZDUSSCGKSA-N 1 0 265.401 2.482 10 0 CEAERO [NH3+]Cc1ncoc1-c1c(F)c(F)c(F)c(F)c1F ZINC000091957581 180292147 /nfs/dbraw/zinc/29/21/47/180292147.db2.gz NHCRTMDXFRBUGM-UHFFFAOYSA-N 1 0 264.153 2.496 10 0 CEAERO C[NH2+]Cc1ncoc1-c1cnn(-c2ccccc2)c1 ZINC000091957661 180292486 /nfs/dbraw/zinc/29/24/86/180292486.db2.gz NBXGIGPCPGQGBI-UHFFFAOYSA-N 1 0 254.293 2.247 10 0 CEAERO CCN(CC)C(=O)N(C)[C@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000091961599 180293172 /nfs/dbraw/zinc/29/31/72/180293172.db2.gz POGVTFLLWKYAJQ-TZMCWYRMSA-N 1 0 255.406 2.288 10 0 CEAERO NC(=[NH2+])C1(NC(=O)N2CCCC2)CCCCCCC1 ZINC000091968834 180294590 /nfs/dbraw/zinc/29/45/90/180294590.db2.gz NPWZFCZMWVTYLF-UHFFFAOYSA-N 1 0 266.389 2.211 10 0 CEAERO CCCOCCC(=O)N(C)C1CCC([NH2+]CC)CC1 ZINC000091869628 180276541 /nfs/dbraw/zinc/27/65/41/180276541.db2.gz LRUOAVSWIMCTRL-UHFFFAOYSA-N 1 0 270.417 2.182 10 0 CEAERO CC[NH2+]C1CCC(N(C)S(=O)(=O)c2ccccc2)CC1 ZINC000091869917 180277254 /nfs/dbraw/zinc/27/72/54/180277254.db2.gz AAMDDGUAIIMSQC-UHFFFAOYSA-N 1 0 296.436 2.228 10 0 CEAERO CCn1cccc1C(=O)N(C)C1CCC([NH2+]C)CC1 ZINC000091872326 180278045 /nfs/dbraw/zinc/27/80/45/180278045.db2.gz GGCYXDUFANNPLC-UHFFFAOYSA-N 1 0 263.385 2.111 10 0 CEAERO Cc1ccc(C)c([C@](C)(O)C2(C[NH3+])CCOCC2)c1 ZINC000091906964 180283774 /nfs/dbraw/zinc/28/37/74/180283774.db2.gz HNJUMSQUPAXGQQ-HNNXBMFYSA-N 1 0 263.381 2.266 10 0 CEAERO [NH3+]CC1(NC(=O)N2CCCCC2)CCCCCC1 ZINC000091969080 180294742 /nfs/dbraw/zinc/29/47/42/180294742.db2.gz UZYRSVYHLCTAKA-UHFFFAOYSA-N 1 0 253.390 2.234 10 0 CEAERO CC[C@@](C)(C[NH3+])[C@H](O)c1ccc(OC)cc1OC ZINC000091909617 180284841 /nfs/dbraw/zinc/28/48/41/180284841.db2.gz GPXOJLKSYNFVJI-KGLIPLIRSA-N 1 0 253.342 2.112 10 0 CEAERO CC[C@@](C)(C[NH3+])[C@H](O)c1cccc(OC)c1OC ZINC000091910463 180285059 /nfs/dbraw/zinc/28/50/59/180285059.db2.gz MLAAPFQYWAEMOM-KGLIPLIRSA-N 1 0 253.342 2.112 10 0 CEAERO [NH3+]C[C@@]1([C@@H](O)c2csc3ccccc32)CCOC1 ZINC000091912255 180285073 /nfs/dbraw/zinc/28/50/73/180285073.db2.gz AUACOJVIDYGXRE-KBPBESRZSA-N 1 0 263.362 2.300 10 0 CEAERO [NH3+]C[C@@]1([C@H](O)c2ccccn2)CCc2ccccc2C1 ZINC000091910163 180285108 /nfs/dbraw/zinc/28/51/08/180285108.db2.gz IFWJHQJMRFAVDK-IAGOWNOFSA-N 1 0 268.360 2.249 10 0 CEAERO CC[C@@](C)(C[NH3+])[C@@H](O)c1cc(OC)c(OC)c(OC)c1 ZINC000091910207 180285289 /nfs/dbraw/zinc/28/52/89/180285289.db2.gz KNYNIBCTGVDAPZ-GJZGRUSLSA-N 1 0 283.368 2.121 10 0 CEAERO [NH3+]CC1([C@@H](O)c2cc3ccccc3o2)CCOCC1 ZINC000091912055 180285326 /nfs/dbraw/zinc/28/53/26/180285326.db2.gz KFUDPBKKZJUHGE-AWEZNQCLSA-N 1 0 261.321 2.222 10 0 CEAERO CCn1cncc1[C@@H](O)C1(C[NH3+])CCCCCC1 ZINC000091926272 180287195 /nfs/dbraw/zinc/28/71/95/180287195.db2.gz NLLYEBSTPCFJJY-CYBMUJFWSA-N 1 0 251.374 2.236 10 0 CEAERO [NH3+]C[C@]1([C@H](O)c2cncn2C2CC2)CCc2ccccc21 ZINC000091926585 180287408 /nfs/dbraw/zinc/28/74/08/180287408.db2.gz JXEOMERSFGNWPC-IAGOWNOFSA-N 1 0 283.375 2.094 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]CCC2=CCCCC2)C1 ZINC000092052611 180313158 /nfs/dbraw/zinc/31/31/58/180313158.db2.gz YJYISFNYCBWODM-HNNXBMFYSA-N 1 0 252.402 2.187 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]CCc2ccc(Cl)cc2)C1 ZINC000092052310 180313494 /nfs/dbraw/zinc/31/34/94/180313494.db2.gz HXFWEAOGWNLBJV-HNNXBMFYSA-N 1 0 282.815 2.193 10 0 CEAERO CSc1cc(N)cc2c1ccn2C[C@@H]1C[N@H+](C)CCO1 ZINC000092056207 180313833 /nfs/dbraw/zinc/31/38/33/180313833.db2.gz OUPSQXOIBMMYSF-LBPRGKRZSA-N 1 0 291.420 2.276 10 0 CEAERO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N1CCCCCC1 ZINC000091971612 180295513 /nfs/dbraw/zinc/29/55/13/180295513.db2.gz YVULULUUZQWXGH-QWHCGFSZSA-N 1 0 253.390 2.184 10 0 CEAERO [NH3+]CCC1CCN(C(=O)N2CCCCCC2)CC1 ZINC000091971666 180295656 /nfs/dbraw/zinc/29/56/56/180295656.db2.gz FKBDZDTYBLINGU-UHFFFAOYSA-N 1 0 253.390 2.043 10 0 CEAERO O=C(Nc1nc2c(s1)C[NH2+]CC2)N1CCCCCC1 ZINC000091971543 180295705 /nfs/dbraw/zinc/29/57/05/180295705.db2.gz NOBCQBFXOBVWAF-UHFFFAOYSA-N 1 0 280.397 2.197 10 0 CEAERO C[C@H]1CCCN(C(=O)N(C)C2(C[NH3+])CCCC2)C1 ZINC000091972908 180295925 /nfs/dbraw/zinc/29/59/25/180295925.db2.gz IYZOZTKUJMHDHI-LBPRGKRZSA-N 1 0 253.390 2.042 10 0 CEAERO CC1CCN(C(=O)N2CCC[C@@H]2[C@H]2CCC[NH2+]C2)CC1 ZINC000091973190 180296462 /nfs/dbraw/zinc/29/64/62/180296462.db2.gz DRVCNEGRWHJDRM-LSDHHAIUSA-N 1 0 279.428 2.302 10 0 CEAERO CC1CCN(C(=O)N(C)[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000091991535 180299899 /nfs/dbraw/zinc/29/98/99/180299899.db2.gz QXXDGUMNVZZLIK-ZIAGYGMSSA-N 1 0 267.417 2.288 10 0 CEAERO C[C@@H]1CCCN(C(=O)Nc2cnn(C3CC[NH2+]CC3)c2)C1 ZINC000091991335 180299970 /nfs/dbraw/zinc/29/99/70/180299970.db2.gz HZRLSGGZMFOLMW-GFCCVEGCSA-N 1 0 291.399 2.071 10 0 CEAERO C[C@H]1CCCN(C(=O)N[C@H](C(N)=[NH2+])C2CCCCC2)C1 ZINC000091993344 180300291 /nfs/dbraw/zinc/30/02/91/180300291.db2.gz WYLCCOYEACKPGD-AAEUAGOBSA-N 1 0 280.416 2.313 10 0 CEAERO CC1CCN(C(=O)N[C@@]2(C[NH3+])CCC[C@H](C)C2)CC1 ZINC000091993183 180300406 /nfs/dbraw/zinc/30/04/06/180300406.db2.gz XADLDBIPDODDPH-ZFWWWQNUSA-N 1 0 267.417 2.336 10 0 CEAERO COC[C@@H](C)Oc1ccc(C)nc1C[NH2+]C(C)C ZINC000091995456 180301850 /nfs/dbraw/zinc/30/18/50/180301850.db2.gz WIAOHRWXQPIPII-GFCCVEGCSA-N 1 0 252.358 2.302 10 0 CEAERO CCCNC(=O)COc1ccc(C)nc1C[NH2+]CC(C)C ZINC000091996427 180302477 /nfs/dbraw/zinc/30/24/77/180302477.db2.gz ZMAVWITYRGVOCZ-UHFFFAOYSA-N 1 0 293.411 2.041 10 0 CEAERO CO[C@@H]1CCC[C@H](Oc2ccc(C)nc2CC[NH3+])C1 ZINC000091999658 180303459 /nfs/dbraw/zinc/30/34/59/180303459.db2.gz UKGZYIIWMQKSQY-OLZOCXBDSA-N 1 0 264.369 2.228 10 0 CEAERO COc1cc(C[NH2+]C[C@@H](C)N2CCCC2)cc(OC)c1 ZINC000092022413 180307450 /nfs/dbraw/zinc/30/74/50/180307450.db2.gz FSLYKLYTDIZXMN-CYBMUJFWSA-N 1 0 278.396 2.278 10 0 CEAERO CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)C[NH2+]C ZINC000092132632 180330552 /nfs/dbraw/zinc/33/05/52/180330552.db2.gz BMUWEOFMAKRNAI-RYUDHWBXSA-N 1 0 291.395 2.009 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)Nc1ccc(C(=O)OC(C)C)cc1 ZINC000092133150 180330724 /nfs/dbraw/zinc/33/07/24/180330724.db2.gz FGZAWQJCXLHOPA-LLVKDONJSA-N 1 0 278.352 2.046 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000092133768 180331421 /nfs/dbraw/zinc/33/14/21/180331421.db2.gz GTEMRDRWMXSWHQ-GFCCVEGCSA-N 1 0 261.369 2.081 10 0 CEAERO CCN(C(=O)[C@H](C)C[NH2+]C)[C@@H](C)c1cccc(O)c1 ZINC000092134952 180332879 /nfs/dbraw/zinc/33/28/79/180332879.db2.gz ASIYPAGNVZWWCA-NEPJUHHUSA-N 1 0 264.369 2.157 10 0 CEAERO C[NH2+][C@H](Cc1nn(C)c2ccccc12)C(C)(C)OC ZINC000092139053 180333476 /nfs/dbraw/zinc/33/34/76/180333476.db2.gz BANLFRBURXVZBD-CQSZACIVSA-N 1 0 261.369 2.129 10 0 CEAERO CCn1nc(C[C@@H]([NH3+])C(C)(C)OC)c2ccccc21 ZINC000092138751 180333516 /nfs/dbraw/zinc/33/35/16/180333516.db2.gz IQCRXVLBDYJQLJ-CQSZACIVSA-N 1 0 261.369 2.351 10 0 CEAERO COC(C)(C)c1noc(-c2ccc(CC[NH3+])cc2)n1 ZINC000092137929 180333906 /nfs/dbraw/zinc/33/39/06/180333906.db2.gz CQXUMPWYGDYAFN-UHFFFAOYSA-N 1 0 261.325 2.119 10 0 CEAERO COC(C)(C)c1noc(CCC(C)(C)CC[NH3+])n1 ZINC000092138064 180333909 /nfs/dbraw/zinc/33/39/09/180333909.db2.gz NMOZVHFJNYPHGA-UHFFFAOYSA-N 1 0 255.362 2.259 10 0 CEAERO COc1c(C[N@@H+]2CCCC[C@H](SC)C2)c(C)nn1C ZINC000092064168 180316842 /nfs/dbraw/zinc/31/68/42/180316842.db2.gz ANIFRVYIJAXCMK-LBPRGKRZSA-N 1 0 283.441 2.455 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(SC[C@@H]2CN(C)CCO2)cc1 ZINC000092080067 180318526 /nfs/dbraw/zinc/31/85/26/180318526.db2.gz JBGUXCZPGXZDPQ-JSGCOSHPSA-N 1 0 280.437 2.390 10 0 CEAERO CCN[C@](C)(CCC[N@@H+]1C[C@H](C)[C@H](C)C1)C(=O)OCC ZINC000092087519 180321187 /nfs/dbraw/zinc/32/11/87/180321187.db2.gz QLXFLXGCQBSSAH-IJEWVQPXSA-N 1 0 284.444 2.286 10 0 CEAERO C[C@@H]1C[NH+](Cc2nc3sccc3c(N)n2)C[C@H]1C ZINC000092087950 180321227 /nfs/dbraw/zinc/32/12/27/180321227.db2.gz SGNODXLHOLQVDI-RKDXNWHRSA-N 1 0 262.382 2.361 10 0 CEAERO COc1ccc([C@@H](O)C[N@@H+]2C[C@H](C)[C@H](C)C2)cc1OC ZINC000092087260 180321745 /nfs/dbraw/zinc/32/17/45/180321745.db2.gz JPWCOOLOJKWPBU-SCRDCRAPSA-N 1 0 279.380 2.325 10 0 CEAERO CC[C@@H]([NH3+])Cc1c(C)nn(C)c1N1C[C@H](C)[C@H](C)C1 ZINC000092090172 180322328 /nfs/dbraw/zinc/32/23/28/180322328.db2.gz SBUXNYIKLXWUDY-NTZNESFSSA-N 1 0 264.417 2.101 10 0 CEAERO COc1cc(Cl)c(C)cc1NC(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092201183 180342643 /nfs/dbraw/zinc/34/26/43/180342643.db2.gz UBCGKLADLURUBV-VHSXEESVSA-N 1 0 280.755 2.499 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)Nc2cccc3ncccc32)C1 ZINC000092201276 180342862 /nfs/dbraw/zinc/34/28/62/180342862.db2.gz USLCVPSEMNQULR-QWRGUYRKSA-N 1 0 253.305 2.077 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)Nc2ccc(OC(F)F)cc2)C1 ZINC000092201877 180342903 /nfs/dbraw/zinc/34/29/03/180342903.db2.gz NLHUOANNAHEINS-BDAKNGLRSA-N 1 0 268.263 2.130 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000092201369 180342978 /nfs/dbraw/zinc/34/29/78/180342978.db2.gz XUXBMZNCQKQKKZ-BDAKNGLRSA-N 1 0 286.253 2.427 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)Nc2cccc(OC(F)F)c2)C1 ZINC000092203048 180343235 /nfs/dbraw/zinc/34/32/35/180343235.db2.gz SUVNBJLPHRRXEQ-BDAKNGLRSA-N 1 0 268.263 2.130 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)N[C@@H](c2ccco2)c2ccccc2)C1 ZINC000092203388 180343248 /nfs/dbraw/zinc/34/32/48/180343248.db2.gz NLLSWFYGKDCHIP-SQWLQELKSA-N 1 0 282.343 2.389 10 0 CEAERO CCCOc1ccccc1NC(=O)[C@H]1C=C[C@H]([NH3+])C1 ZINC000092202654 180343258 /nfs/dbraw/zinc/34/32/58/180343258.db2.gz ZUJCVEFMMXMAEY-RYUDHWBXSA-N 1 0 260.337 2.317 10 0 CEAERO COc1cc(Cl)c(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)cc1OC ZINC000092203149 180343383 /nfs/dbraw/zinc/34/33/83/180343383.db2.gz JPTHEHMDFUVTTQ-DTWKUNHWSA-N 1 0 296.754 2.199 10 0 CEAERO CCCOc1ccccc1NC(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092202652 180343427 /nfs/dbraw/zinc/34/34/27/180343427.db2.gz ZUJCVEFMMXMAEY-NWDGAFQWSA-N 1 0 260.337 2.317 10 0 CEAERO CN(Cc1ccccc1Cl)C(=O)[C@H]1C=C[C@H]([NH3+])C1 ZINC000092204403 180343583 /nfs/dbraw/zinc/34/35/83/180343583.db2.gz JTPJZQGTUKDEPB-JQWIXIFHSA-N 1 0 264.756 2.202 10 0 CEAERO Cc1ccc(C)c([C@H](C)NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)c1 ZINC000092203822 180343674 /nfs/dbraw/zinc/34/36/74/180343674.db2.gz ZPBSKCQIXWJGND-MELADBBJSA-N 1 0 258.365 2.384 10 0 CEAERO CSc1ccc(CN(C)C(=O)[C@H]2C=C[C@@H]([NH3+])C2)cc1 ZINC000092204425 180343823 /nfs/dbraw/zinc/34/38/23/180343823.db2.gz YALXEJWLLJSFEN-QWHCGFSZSA-N 1 0 276.405 2.270 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)N2CCC(c3ccccc3)CC2)C1 ZINC000092204760 180343856 /nfs/dbraw/zinc/34/38/56/180343856.db2.gz TVAYJHAZJFYRHP-CVEARBPZSA-N 1 0 270.376 2.296 10 0 CEAERO COC(=O)CCC[N@H+](C)C[C@H]1COc2ccccc21 ZINC000092305678 180360101 /nfs/dbraw/zinc/36/01/01/180360101.db2.gz AFQWPIKQTLVCFU-LBPRGKRZSA-N 1 0 263.337 2.048 10 0 CEAERO CCC(=O)Nc1cccc(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)c1C ZINC000092203808 180343908 /nfs/dbraw/zinc/34/39/08/180343908.db2.gz MXBKLFVPPNEJKP-NEPJUHHUSA-N 1 0 287.363 2.185 10 0 CEAERO C[C@H](c1cccs1)N(C)C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092205481 180344138 /nfs/dbraw/zinc/34/41/38/180344138.db2.gz ZHDPFNAJTBFTBM-GMTAPVOTSA-N 1 0 250.367 2.171 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)N2CCC3(CCCCC3)CC2)C1 ZINC000092207451 180344171 /nfs/dbraw/zinc/34/41/71/180344171.db2.gz CTIADAYEZFZKRY-KBPBESRZSA-N 1 0 262.397 2.463 10 0 CEAERO C[C@H](NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1)c1ccccc1Cl ZINC000092206703 180344280 /nfs/dbraw/zinc/34/42/80/180344280.db2.gz VPZQNJRINAXCMI-HBNTYKKESA-N 1 0 264.756 2.421 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)N(CC2CCCCC2)C2CC2)C1 ZINC000092205334 180344282 /nfs/dbraw/zinc/34/42/82/180344282.db2.gz CTLWGEAUCFOHLX-KGLIPLIRSA-N 1 0 262.397 2.461 10 0 CEAERO CCOC(=O)c1cc(C)sc1NC(=O)[C@@H]1C=C[C@H]([NH3+])C1 ZINC000092207668 180344755 /nfs/dbraw/zinc/34/47/55/180344755.db2.gz YYSPLDIOLAQBML-ZJUUUORDSA-N 1 0 294.376 2.075 10 0 CEAERO Cc1nn(C[C@@H]2COc3ccccc32)c(C)c1CC[NH3+] ZINC000092306320 180360216 /nfs/dbraw/zinc/36/02/16/180360216.db2.gz DILBIQFDAIWTKI-CYBMUJFWSA-N 1 0 271.364 2.177 10 0 CEAERO CSc1ccccc1C(=O)N[C@@H]1CCC[C@H]1[NH3+] ZINC000092231996 180348426 /nfs/dbraw/zinc/34/84/26/180348426.db2.gz FHYOFZKZALDWJW-GHMZBOCLSA-N 1 0 250.367 2.018 10 0 CEAERO [NH3+]Cc1ccccc1CNC(=O)[C@@H]1Cc2ccccc2S1 ZINC000092231959 180348645 /nfs/dbraw/zinc/34/86/45/180348645.db2.gz FRLSIGDGBUFINR-INIZCTEOSA-N 1 0 298.411 2.479 10 0 CEAERO CSc1ccccc1C(=O)N1[C@@H](C)C[NH2+]C[C@@H]1C ZINC000092232191 180348665 /nfs/dbraw/zinc/34/86/65/180348665.db2.gz QPQOBGGCZXAXKN-QWRGUYRKSA-N 1 0 264.394 2.231 10 0 CEAERO CSc1ccccc1C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000092232199 180348738 /nfs/dbraw/zinc/34/87/38/180348738.db2.gz DRTXYTIIXNCARP-LLVKDONJSA-N 1 0 264.394 2.280 10 0 CEAERO C[N@H+](CC1CC(O)C1)C[C@H]1Cc2ccccc2S1 ZINC000092270286 180355431 /nfs/dbraw/zinc/35/54/31/180355431.db2.gz MQURAGFDZSETSE-UXUKBGGZSA-N 1 0 263.406 2.406 10 0 CEAERO CCCN(C[C@H]1Cc2ccccc2S1)C1C[NH2+]C1 ZINC000092268013 180355597 /nfs/dbraw/zinc/35/55/97/180355597.db2.gz NRLCIKOGHXIMGM-CQSZACIVSA-N 1 0 262.422 2.387 10 0 CEAERO C[C@@H]([NH3+])Cc1cnn(C[C@@H]2Cc3ccccc3S2)c1 ZINC000092271356 180356604 /nfs/dbraw/zinc/35/66/04/180356604.db2.gz YKZKGZCHPMBPOZ-RISCZKNCSA-N 1 0 273.405 2.490 10 0 CEAERO C[NH2+]Cc1cnn(C[C@H]2CSc3ccccc32)c1 ZINC000092294513 180357946 /nfs/dbraw/zinc/35/79/46/180357946.db2.gz CMCQNHFXAONBDN-LBPRGKRZSA-N 1 0 259.378 2.492 10 0 CEAERO CN(C[C@@H]1COc2ccccc21)C1(C[NH3+])CCCC1 ZINC000092298853 180358751 /nfs/dbraw/zinc/35/87/51/180358751.db2.gz ADFYDLBMYQTYQI-CYBMUJFWSA-N 1 0 260.381 2.366 10 0 CEAERO C[C@@H](CN1CCCC1)[NH2+]C[C@@H]1COc2ccccc21 ZINC000092300080 180358877 /nfs/dbraw/zinc/35/88/77/180358877.db2.gz BRTLVWNQDACFBJ-UONOGXRCSA-N 1 0 260.381 2.237 10 0 CEAERO CC[NH2+][C@H](CN1C(=O)C[C@H](C)C1=O)c1cc(C)ccc1C ZINC000105832585 186076351 /nfs/dbraw/zinc/07/63/51/186076351.db2.gz OTPCCRUHTJXXOV-DZGCQCFKSA-N 1 0 288.391 2.349 10 0 CEAERO CCc1nc(CN2CC[N@H+](CCOC)[C@H](CC)C2)cs1 ZINC000105836812 186077109 /nfs/dbraw/zinc/07/71/09/186077109.db2.gz GUAJUHIMMKFNMU-CQSZACIVSA-N 1 0 297.468 2.248 10 0 CEAERO OCCC[C@H]1CCC[N@@H+]1C[C@@H]1COc2ccccc21 ZINC000092305735 180359967 /nfs/dbraw/zinc/35/99/67/180359967.db2.gz RXTKZNVYMSSYQI-ZIAGYGMSSA-N 1 0 261.365 2.400 10 0 CEAERO CCOCC[N@@H+]1CCN(CCOC(C)(C)C)C[C@@H]1CC ZINC000105838552 186077793 /nfs/dbraw/zinc/07/77/93/186077793.db2.gz SQPICOIHWZRUFL-HNNXBMFYSA-N 1 0 286.460 2.234 10 0 CEAERO CC(C)N1C(=O)C[C@H]([NH2+][C@H](C)CCc2ccccc2)C1=O ZINC000105908587 186087842 /nfs/dbraw/zinc/08/78/42/186087842.db2.gz IFZDJLANDLMCBB-HIFRSBDPSA-N 1 0 288.391 2.133 10 0 CEAERO CCOCC[N@@H+]1CCN(Cc2ccccn2)C[C@@H]1CC ZINC000105914827 186088489 /nfs/dbraw/zinc/08/84/89/186088489.db2.gz WAGGBSUHNWDWOK-INIZCTEOSA-N 1 0 277.412 2.014 10 0 CEAERO CC[NH2+]CCc1c(CC)nc(-c2cnn(C)c2)nc1CC ZINC000092318652 180361671 /nfs/dbraw/zinc/36/16/71/180361671.db2.gz GEGYOEKFMCWARS-UHFFFAOYSA-N 1 0 287.411 2.154 10 0 CEAERO CC[NH2+]C[C@H](C)Cc1c(C)nn(-c2cc(C)ncn2)c1C ZINC000092322849 180362540 /nfs/dbraw/zinc/36/25/40/180362540.db2.gz XECJYLQCVJZXHZ-LLVKDONJSA-N 1 0 287.411 2.376 10 0 CEAERO COc1ccc(OCC[NH2+]CCCSC)cc1 ZINC000105943049 186093335 /nfs/dbraw/zinc/09/33/35/186093335.db2.gz UKDYQOWJJLYPQM-UHFFFAOYSA-N 1 0 255.383 2.417 10 0 CEAERO COc1cc(OC)cc([C@@H](C[NH3+])NCc2ccccc2)c1 ZINC000106024152 186098186 /nfs/dbraw/zinc/09/81/86/186098186.db2.gz GWAXBZYWMDNVRS-QGZVFWFLSA-N 1 0 286.375 2.493 10 0 CEAERO CC[C@@H]1CN(Cc2cccc(F)c2F)CC[N@@H+]1C[C@@H](C)O ZINC000106103336 186102218 /nfs/dbraw/zinc/10/22/18/186102218.db2.gz GAZXBZXGWWLCNK-TZMCWYRMSA-N 1 0 298.377 2.242 10 0 CEAERO Cc1noc(C)c1CN1CC[C@@H](C[NH2+]C(C)C)C1 ZINC000092339886 180365241 /nfs/dbraw/zinc/36/52/41/180365241.db2.gz OFECDOITCKPLJE-ZDUSSCGKSA-N 1 0 251.374 2.111 10 0 CEAERO Cc1cc([C@H](O)C2(C[NH3+])CCOCC2)c2ccccc2n1 ZINC000092347085 180366279 /nfs/dbraw/zinc/36/62/79/180366279.db2.gz SXAWVMZYQOVBBV-INIZCTEOSA-N 1 0 286.375 2.332 10 0 CEAERO Cc1cc(NC(=O)[C@@](C)([NH3+])c2ccccc2)ccn1 ZINC000092349921 180368379 /nfs/dbraw/zinc/36/83/79/180368379.db2.gz ZOBCXVJWNHLHQI-HNNXBMFYSA-N 1 0 255.321 2.203 10 0 CEAERO COc1ccc(C[N@H+](C)Cc2cccc(N)n2)cc1 ZINC000092369156 180369741 /nfs/dbraw/zinc/36/97/41/180369741.db2.gz RPULSIZZAVSJGE-UHFFFAOYSA-N 1 0 257.337 2.304 10 0 CEAERO CCNc1cccc(CN2CC[N@H+](C)C(C)(C)C2)n1 ZINC000092370828 180369803 /nfs/dbraw/zinc/36/98/03/180369803.db2.gz DJQWINRSCQGNHC-UHFFFAOYSA-N 1 0 262.401 2.039 10 0 CEAERO COc1cc(C)ccc1OCc1cccc(NN)[nH+]1 ZINC000092371758 180370742 /nfs/dbraw/zinc/37/07/42/180370742.db2.gz KWMACBBDVZLTQP-UHFFFAOYSA-N 1 0 259.309 2.263 10 0 CEAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CCCCC1 ZINC000106423659 186117047 /nfs/dbraw/zinc/11/70/47/186117047.db2.gz WQALIVORDCUARP-HNNXBMFYSA-N 1 0 260.381 2.172 10 0 CEAERO Cc1cc(C)n(C[C@@H]2C[N@H+](CCC(C)C)CCO2)n1 ZINC000105893674 186086553 /nfs/dbraw/zinc/08/65/53/186086553.db2.gz JPIAQAWHZDSTCJ-HNNXBMFYSA-N 1 0 265.401 2.247 10 0 CEAERO COc1ccc2c(c1)[C@H](O)[C@H]([N@H+](C)C[C@@H]1CCCO1)CC2 ZINC000092387856 180374685 /nfs/dbraw/zinc/37/46/85/180374685.db2.gz XZVYSDUCQOGDEM-UAGQMJEPSA-N 1 0 291.391 2.154 10 0 CEAERO CC[C@@H]([NH3+])[C@]1(CCO)CCCc2ccc(OC)cc21 ZINC000092390674 180375118 /nfs/dbraw/zinc/37/51/18/180375118.db2.gz LNUBOQSMUVVXSS-CVEARBPZSA-N 1 0 263.381 2.389 10 0 CEAERO CC(C)[C@@H](CO)Nc1c(C[NH3+])cnc2ccccc21 ZINC000092391521 180375282 /nfs/dbraw/zinc/37/52/82/180375282.db2.gz SHHMWZPGOPQOQF-CQSZACIVSA-N 1 0 259.353 2.122 10 0 CEAERO CC(C)[C@H](CO)[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000092393894 180376051 /nfs/dbraw/zinc/37/60/51/180376051.db2.gz JKHJUSRDEJXOQF-YPMHNXCESA-N 1 0 265.353 2.125 10 0 CEAERO COc1ccc2c(c1)[C@@H]([NH2+][C@@H](CO)C(C)C)CCO2 ZINC000092393270 180376292 /nfs/dbraw/zinc/37/62/92/180376292.db2.gz OIBNPQDQKHITAQ-KBPBESRZSA-N 1 0 265.353 2.125 10 0 CEAERO CC(C)[C@H](CO)[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000092400245 180377625 /nfs/dbraw/zinc/37/76/25/180377625.db2.gz ZYYYAUBIAGNZEU-STQMWFEESA-N 1 0 291.313 2.345 10 0 CEAERO COc1ccc(OC)c([C@H]2C[NH2+][C@H](C(C)C)CO2)c1 ZINC000092403448 180378025 /nfs/dbraw/zinc/37/80/25/180378025.db2.gz QQFYWKXTWNOKOP-DZGCQCFKSA-N 1 0 265.353 2.389 10 0 CEAERO CC(C)[C@@H]1CO[C@@H](c2nc3ccccc3n2C)C[NH2+]1 ZINC000092403208 180378315 /nfs/dbraw/zinc/37/83/15/180378315.db2.gz KOLQWLZWDRWZBX-GXTWGEPZSA-N 1 0 259.353 2.259 10 0 CEAERO CCNc1cc[nH+]c(CN2CCCC[C@@H]2CCO)c1 ZINC000092417992 180380737 /nfs/dbraw/zinc/38/07/37/180380737.db2.gz LNEWJVDZNJVZOY-OAHLLOKOSA-N 1 0 263.385 2.250 10 0 CEAERO CCNc1cc[nH+]c(CN2CCC[C@@H](C(=O)OCC)C2)c1 ZINC000092417871 180381480 /nfs/dbraw/zinc/38/14/80/180381480.db2.gz DWCDKZDOVZAGRE-CYBMUJFWSA-N 1 0 291.395 2.289 10 0 CEAERO OCC[N@H+](Cc1cc(Cl)ccn1)C1CCCC1 ZINC000092416467 180381540 /nfs/dbraw/zinc/38/15/40/180381540.db2.gz ASHAHFIXHREZFT-UHFFFAOYSA-N 1 0 254.761 2.472 10 0 CEAERO Nc1cc[nH+]c(CN2CCOc3ccccc3C2)c1 ZINC000092419161 180382365 /nfs/dbraw/zinc/38/23/65/180382365.db2.gz OTCMNIPATAYJSN-UHFFFAOYSA-N 1 0 255.321 2.058 10 0 CEAERO CCCNc1cc[nH+]c(Cn2cccc(C)c2=O)c1 ZINC000092419800 180382721 /nfs/dbraw/zinc/38/27/21/180382721.db2.gz VGBIRVNCKXPQMF-UHFFFAOYSA-N 1 0 257.337 2.422 10 0 CEAERO COc1ccc(OCc2cccc(C)n2)c(C[NH3+])c1 ZINC000092427247 180383567 /nfs/dbraw/zinc/38/35/67/180383567.db2.gz NEOZGEGOJVNQNA-UHFFFAOYSA-N 1 0 258.321 2.436 10 0 CEAERO CSc1ccsc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000107246911 186164367 /nfs/dbraw/zinc/16/43/67/186164367.db2.gz BVQWYYLOZNCYNB-VIFPVBQESA-N 1 0 270.423 2.246 10 0 CEAERO COc1ccc(C)cc1C[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000107926434 186198675 /nfs/dbraw/zinc/19/86/75/186198675.db2.gz UNRQNWMVEMVCAA-YIONKMFJSA-N 1 0 261.365 2.491 10 0 CEAERO CN(Cc1cccc2c1NCC2)C[C@@H]1CC[N@H+](C)C1 ZINC000130557246 365968370 /nfs/dbraw/zinc/96/83/70/365968370.db2.gz LJCUXCSNIYUWJM-CYBMUJFWSA-N 1 0 259.397 2.038 10 0 CEAERO CC[C@H](C)N1C(=O)C[C@@H]([NH2+][C@@H](C)c2ccsc2)C1=O ZINC000108291636 186211357 /nfs/dbraw/zinc/21/13/57/186211357.db2.gz QDAXYPZJDCXSAB-JBLDHEPKSA-N 1 0 280.393 2.325 10 0 CEAERO C[C@@H](CO)C[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000109122382 186244245 /nfs/dbraw/zinc/24/42/45/186244245.db2.gz YTMNYOJOLKQTPU-WBMJQRKESA-N 1 0 259.349 2.091 10 0 CEAERO CC[C@H](c1noc(-c2cccc(F)c2)n1)N1CC[NH2+]CC1 ZINC000109474612 186255370 /nfs/dbraw/zinc/25/53/70/186255370.db2.gz PYXKDPKYKLJMRT-CYBMUJFWSA-N 1 0 290.342 2.232 10 0 CEAERO [NH3+][C@H]1CCCCC[C@@H]1c1nc(Cc2ccccn2)no1 ZINC000109499490 186257324 /nfs/dbraw/zinc/25/73/24/186257324.db2.gz USSQLNRPKCLKDW-STQMWFEESA-N 1 0 272.352 2.430 10 0 CEAERO CC[NH2+][C@@H](C)[C@H](c1nc(-c2ncccn2)no1)C(C)C ZINC000109505580 186257663 /nfs/dbraw/zinc/25/76/63/186257663.db2.gz LYEQYHAJGFUDLJ-WDEREUQCSA-N 1 0 275.356 2.264 10 0 CEAERO CCC[C@H]([NH3+])Cc1nc(COc2ccccc2)no1 ZINC000109509283 186257951 /nfs/dbraw/zinc/25/79/51/186257951.db2.gz QNGVOGHDDQENBD-NSHDSACASA-N 1 0 261.325 2.319 10 0 CEAERO COc1cccc(Cc2noc(C[C@H]([NH3+])C(C)C)n2)c1 ZINC000109513107 186258031 /nfs/dbraw/zinc/25/80/31/186258031.db2.gz LJGPMTGUTKPWIA-ZDUSSCGKSA-N 1 0 275.352 2.195 10 0 CEAERO COC[C@H]([NH3+])Cc1nc(-c2ccc3ccccc3c2)no1 ZINC000109509750 186258181 /nfs/dbraw/zinc/25/81/81/186258181.db2.gz HKQQAPHQBRZEGG-CQSZACIVSA-N 1 0 283.331 2.406 10 0 CEAERO CC[NH2+][C@H]1CCC[C@H]1c1nc(Cc2ccncc2)no1 ZINC000109509035 186258263 /nfs/dbraw/zinc/25/82/63/186258263.db2.gz LWHIYSAMFNFYQV-OLZOCXBDSA-N 1 0 272.352 2.301 10 0 CEAERO CC[C@H](c1nc(Cc2ccncc2)no1)[C@@H](C)[NH2+]C ZINC000109509074 186258305 /nfs/dbraw/zinc/25/83/05/186258305.db2.gz QNOKJRZTHMLEIY-PWSUYJOCSA-N 1 0 260.341 2.157 10 0 CEAERO CC[C@@H](c1nc(COc2ccccc2)no1)[C@H](C)[NH3+] ZINC000109509278 186258643 /nfs/dbraw/zinc/25/86/43/186258643.db2.gz TUGIBYXFFVMZIM-CMPLNLGQSA-N 1 0 261.325 2.489 10 0 CEAERO CCCOCc1noc([C@@H]2CCCC[C@H]2[NH2+]C)n1 ZINC000109519786 186258795 /nfs/dbraw/zinc/25/87/95/186258795.db2.gz MPBPTNXKTAJORC-GHMZBOCLSA-N 1 0 253.346 2.242 10 0 CEAERO C[NH2+][C@H](C)[C@H](C)c1nc(Cc2ccc(OC)cc2)no1 ZINC000109520888 186258950 /nfs/dbraw/zinc/25/89/50/186258950.db2.gz TWHQFVBMSJXBDA-WDEREUQCSA-N 1 0 275.352 2.380 10 0 CEAERO CC[NH2+][C@@H](CC)Cc1nc(-c2ncccc2C)no1 ZINC000109519172 186259506 /nfs/dbraw/zinc/25/95/06/186259506.db2.gz UQINBFHSMJILNN-NSHDSACASA-N 1 0 260.341 2.371 10 0 CEAERO [NH3+]Cc1ccc(CNC(=O)c2cccc(F)c2F)c(F)c1 ZINC000109540342 186260677 /nfs/dbraw/zinc/26/06/77/186260677.db2.gz UXCLHVDFWLWTCN-UHFFFAOYSA-N 1 0 294.276 2.493 10 0 CEAERO CC(C)[C@@]1(C)CC(=O)N(Cc2ccc(C[NH3+])cc2F)C1=O ZINC000109540568 186261259 /nfs/dbraw/zinc/26/12/59/186261259.db2.gz NNLKOXKRGGBPQX-MRXNPFEDSA-N 1 0 292.354 2.206 10 0 CEAERO C[NH2+][C@H]1C(=O)Nc2cc(Oc3ccc(CO)cc3)ccc21 ZINC000109576373 186263875 /nfs/dbraw/zinc/26/38/75/186263875.db2.gz LNRAROSDFVNTBL-OAHLLOKOSA-N 1 0 284.315 2.184 10 0 CEAERO CN(Cc1nccn1C)c1cc(C[NH3+])nc2ccccc21 ZINC000109589589 186264566 /nfs/dbraw/zinc/26/45/66/186264566.db2.gz USELQOBXXQCPNG-UHFFFAOYSA-N 1 0 281.363 2.063 10 0 CEAERO CC(C)N(CCCO)c1cc(CO)[nH+]c2ccccc21 ZINC000109594579 186265199 /nfs/dbraw/zinc/26/51/99/186265199.db2.gz OOMKOIZGXVKYMG-UHFFFAOYSA-N 1 0 274.364 2.324 10 0 CEAERO CCCN(CC(=O)OCC)Cc1ccc(C[NH3+])cc1F ZINC000109604031 186268170 /nfs/dbraw/zinc/26/81/70/186268170.db2.gz JDPMOGYUKIZPRW-UHFFFAOYSA-N 1 0 282.359 2.060 10 0 CEAERO CCc1nccn1[C@@H]1CCCN(C(=O)c2cc[nH]c2)C1 ZINC000109284837 186247533 /nfs/dbraw/zinc/24/75/33/186247533.db2.gz JOAXSZMMEYDWGC-CYBMUJFWSA-N 1 0 272.352 2.251 10 0 CEAERO CCc1cc(N2CC[C@@H]([NH+](C)C)C2)nc(-c2ccccn2)n1 ZINC000109319585 186248493 /nfs/dbraw/zinc/24/84/93/186248493.db2.gz PEMTVERDFLYGAI-CQSZACIVSA-N 1 0 297.406 2.241 10 0 CEAERO Cn1cnnc1CC[NH2+][C@@H]1CCCc2ccccc21 ZINC000109421495 186251877 /nfs/dbraw/zinc/25/18/77/186251877.db2.gz JKWYBPNGVRKPHP-CQSZACIVSA-N 1 0 256.353 2.025 10 0 CEAERO Cc1ccc(CN2CC[NH+]([C@@H](C)C(N)=S)CC2)cc1C ZINC000109468165 186254281 /nfs/dbraw/zinc/25/42/81/186254281.db2.gz KZZFGIGJNBOYAO-AWEZNQCLSA-N 1 0 291.464 2.096 10 0 CEAERO CC[NH+](CC)[C@@H]1CCN(c2ncc([C@@H](C)O)s2)C1 ZINC000110271601 186289600 /nfs/dbraw/zinc/28/96/00/186289600.db2.gz YCTZPHHZRQCTLR-GHMZBOCLSA-N 1 0 269.414 2.117 10 0 CEAERO CCC1CCC([N@H+](CCOC)CCC(=O)OC)CC1 ZINC000110433817 186295759 /nfs/dbraw/zinc/29/57/59/186295759.db2.gz DTCHRENHQAMJNO-UHFFFAOYSA-N 1 0 271.401 2.467 10 0 CEAERO CCCOCc1noc([C@@H](C)[C@H](CC)[NH2+]CC)n1 ZINC000110470704 186298129 /nfs/dbraw/zinc/29/81/29/186298129.db2.gz LINWDEIEUUPOSP-QWRGUYRKSA-N 1 0 255.362 2.488 10 0 CEAERO CCOc1ccccc1[C@H](CO[C@H]1CCOC1)[NH2+]C ZINC000110526748 186301063 /nfs/dbraw/zinc/30/10/63/186301063.db2.gz FFHFUIVWSZWVAW-JSGCOSHPSA-N 1 0 265.353 2.151 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(NC(=O)Nc2ncc[nH]2)cc1 ZINC000110538992 186302353 /nfs/dbraw/zinc/30/23/53/186302353.db2.gz LMQUHWBEJWLTDC-VIFPVBQESA-N 1 0 259.313 2.334 10 0 CEAERO CC(C)CN(C(=O)Cc1ccc(C[NH3+])cc1)C1CC1 ZINC000110613095 186306036 /nfs/dbraw/zinc/30/60/36/186306036.db2.gz KZRNFPHRWBZCBJ-UHFFFAOYSA-N 1 0 260.381 2.335 10 0 CEAERO CCOc1cc(N(C)[C@@H]2CCC[N@H+](C)C2)c(N)cc1F ZINC000110634542 186307524 /nfs/dbraw/zinc/30/75/24/186307524.db2.gz ORZBLZQENJPVQN-LLVKDONJSA-N 1 0 281.375 2.337 10 0 CEAERO CCCOc1cc(N2CC[NH+](C3CC3)CC2)c(N)cc1F ZINC000110638787 186307807 /nfs/dbraw/zinc/30/78/07/186307807.db2.gz XUOBHGQRTCUSDA-UHFFFAOYSA-N 1 0 293.386 2.481 10 0 CEAERO CC(C)Oc1cc(N2CC[C@H]([NH+](C)C)C2)c(N)cc1F ZINC000110641414 186307906 /nfs/dbraw/zinc/30/79/06/186307906.db2.gz SAUYPAAQABTKAK-NSHDSACASA-N 1 0 281.375 2.335 10 0 CEAERO CCS(=O)(=O)c1ccc(NCC[C@H]2CCC[NH2+]C2)cc1 ZINC000110793348 186325192 /nfs/dbraw/zinc/32/51/92/186325192.db2.gz MWFXOYSWBQZAGV-CYBMUJFWSA-N 1 0 296.436 2.282 10 0 CEAERO CCN(C)[C@H](C[NH3+])c1ccc(OC)c(OC)c1Cl ZINC000110827689 186327883 /nfs/dbraw/zinc/32/78/83/186327883.db2.gz DGNWUYZOGHHUGZ-SNVBAGLBSA-N 1 0 272.776 2.309 10 0 CEAERO CC[NH2+][C@H]1CCC2(C[C@H]1N(C)CC1CCCC1)OCCO2 ZINC000110836488 186328170 /nfs/dbraw/zinc/32/81/70/186328170.db2.gz VVEBINKBJYHCRJ-JKSUJKDBSA-N 1 0 296.455 2.382 10 0 CEAERO CCC[NH2+][C@@](C)(CC[N@H+](C)CC1CCCC1)C(=O)[O-] ZINC000110840945 186328567 /nfs/dbraw/zinc/32/85/67/186328567.db2.gz VLLPYXZYZCHIPP-HNNXBMFYSA-N 1 0 270.417 2.341 10 0 CEAERO C[C@H]1CCC[C@H](C(=O)N(C)CC2CCCC2)[C@@H]1[NH3+] ZINC000110848172 186329831 /nfs/dbraw/zinc/32/98/31/186329831.db2.gz XUOBEKSKMYJUHD-FPMFFAJLSA-N 1 0 252.402 2.399 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)N(C)CC1CCCC1 ZINC000110848205 186330087 /nfs/dbraw/zinc/33/00/87/186330087.db2.gz SDJXCWVFYYITIH-UBHSHLNASA-N 1 0 252.402 2.399 10 0 CEAERO CN(C(=O)c1cc(Cl)ccc1F)[C@@H]1CCC[NH2+]C1 ZINC000110927464 186333303 /nfs/dbraw/zinc/33/33/03/186333303.db2.gz MDVRKMJXOIXHQQ-SNVBAGLBSA-N 1 0 270.735 2.303 10 0 CEAERO COc1ccc([C@@H](C)N(C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000110926521 186333401 /nfs/dbraw/zinc/33/34/01/186333401.db2.gz LHKMOUHQLXKRAE-TZMCWYRMSA-N 1 0 278.396 2.449 10 0 CEAERO CN(C(=O)c1ccc2ccccc2n1)[C@H]1CCC[NH2+]C1 ZINC000110927379 186333583 /nfs/dbraw/zinc/33/35/83/186333583.db2.gz SSSAAHOCFYUZAE-ZDUSSCGKSA-N 1 0 269.348 2.059 10 0 CEAERO CN(CCC(=O)Nc1ccccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000110931442 186333754 /nfs/dbraw/zinc/33/37/54/186333754.db2.gz AHWKFRYHHCQVMK-LBPRGKRZSA-N 1 0 295.814 2.352 10 0 CEAERO CCN(CC(=O)N(CC)C1=CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000110942774 186334523 /nfs/dbraw/zinc/33/45/23/186334523.db2.gz LBWIGXSMOQUQSY-INIZCTEOSA-N 1 0 293.455 2.367 10 0 CEAERO CCN(C(=O)COc1cccc(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000110939421 186334599 /nfs/dbraw/zinc/33/45/99/186334599.db2.gz USENBTLGJJRBDD-ZDUSSCGKSA-N 1 0 296.798 2.319 10 0 CEAERO CCN(Cc1ccc(OC)c(OC)c1)[C@H]1CCC[NH2+]C1 ZINC000110936982 186335078 /nfs/dbraw/zinc/33/50/78/186335078.db2.gz PEFCSHFHGDKPMH-AWEZNQCLSA-N 1 0 278.396 2.278 10 0 CEAERO CCCN(Cc1c(C)nn(C)c1Cl)[C@@H]1CCC[NH2+]C1 ZINC000110945413 186335707 /nfs/dbraw/zinc/33/57/07/186335707.db2.gz QKNXXRYVAQDVPH-GFCCVEGCSA-N 1 0 284.835 2.346 10 0 CEAERO CCN(Cc1noc(-c2cccs2)n1)[C@@H]1CCC[NH2+]C1 ZINC000110943029 186335709 /nfs/dbraw/zinc/33/57/09/186335709.db2.gz FPTJOLCEPLOXPU-LLVKDONJSA-N 1 0 292.408 2.372 10 0 CEAERO CCN(Cc1ccn(-c2ccccc2)n1)[C@@H]1CCC[NH2+]C1 ZINC000110943812 186336041 /nfs/dbraw/zinc/33/60/41/186336041.db2.gz ZBZDIPKPZFMCEE-QGZVFWFLSA-N 1 0 284.407 2.446 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(C)cc1OCC(=O)NC1CC1 ZINC000110960608 186337114 /nfs/dbraw/zinc/33/71/14/186337114.db2.gz YRBYKMYDWUHIRS-LBPRGKRZSA-N 1 0 276.380 2.323 10 0 CEAERO CCOC(=O)[C@@H](c1ccc(C)c(F)c1)N1CCC[NH2+]CC1 ZINC000110978466 186339050 /nfs/dbraw/zinc/33/90/50/186339050.db2.gz OQLPPCZXVWAHMB-OAHLLOKOSA-N 1 0 294.370 2.034 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Oc1ccccc1CO)c1ccncc1 ZINC000110992672 186339796 /nfs/dbraw/zinc/33/97/96/186339796.db2.gz PNWRZBJHTPTSOI-ZBFHGGJFSA-N 1 0 272.348 2.431 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)N1CCN(C)C(C)(C)C1 ZINC000110724246 186317144 /nfs/dbraw/zinc/31/71/44/186317144.db2.gz OXHQACVQMFTUJN-UHFFFAOYSA-N 1 0 283.460 2.084 10 0 CEAERO CC[C@H]1CN(CCNc2ccc(F)cc2)CC[N@@H+]1C ZINC000110757550 186321301 /nfs/dbraw/zinc/32/13/01/186321301.db2.gz WENDORZBVIKKNW-HNNXBMFYSA-N 1 0 265.376 2.264 10 0 CEAERO Cc1nc(C[NH3+])sc1-c1nc(-c2cccnc2)no1 ZINC000110790944 186324055 /nfs/dbraw/zinc/32/40/55/186324055.db2.gz NEHAIORWACRRJJ-UHFFFAOYSA-N 1 0 273.321 2.022 10 0 CEAERO CCOC(CC[N@H+](CCO)C(CC)CC)OCC ZINC000110785740 186324605 /nfs/dbraw/zinc/32/46/05/186324605.db2.gz GXSKJJDZBSUFAH-UHFFFAOYSA-N 1 0 261.406 2.259 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](SCCS(C)(=O)=O)c1ccc(C)o1 ZINC000111004476 186341773 /nfs/dbraw/zinc/34/17/73/186341773.db2.gz BOFKVJZXRVPAMT-ZYHUDNBSSA-N 1 0 291.438 2.144 10 0 CEAERO CC[NH+]1CCC(NC(=O)c2c(N)cccc2Cl)CC1 ZINC000111011280 186343197 /nfs/dbraw/zinc/34/31/97/186343197.db2.gz IQQSATNJLUGIFS-UHFFFAOYSA-N 1 0 281.787 2.136 10 0 CEAERO O=C1CC[C@H]([NH2+][C@@H](c2ccccc2)c2ccncc2)CN1 ZINC000111017373 186344359 /nfs/dbraw/zinc/34/43/59/186344359.db2.gz XRIGYJFGHYSLLW-RDJZCZTQSA-N 1 0 281.359 2.039 10 0 CEAERO CCN(C[C@@H]1CCCO1)[C@@H](C[NH3+])c1cccc(F)c1F ZINC000111039533 186346688 /nfs/dbraw/zinc/34/66/88/186346688.db2.gz ILMXAYPPZMPEQU-FZMZJTMJSA-N 1 0 284.350 2.466 10 0 CEAERO CC[C@H]1CO[C@H](C)CN1[C@@H](C[NH3+])c1cccc(F)c1F ZINC000111039489 186346842 /nfs/dbraw/zinc/34/68/42/186346842.db2.gz NJMXZAWRKYWPBK-SUNKGSAMSA-N 1 0 284.350 2.464 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]CC2(O)CCC2)c1C ZINC000130797926 365992393 /nfs/dbraw/zinc/99/23/93/365992393.db2.gz MQBOYJIMUXNMFZ-SNVBAGLBSA-N 1 0 251.374 2.085 10 0 CEAERO CN(Cc1ccncc1)[C@H](C[NH3+])c1cccc(F)c1F ZINC000111039281 186347248 /nfs/dbraw/zinc/34/72/48/186347248.db2.gz FHEWQYWTECZDSW-CQSZACIVSA-N 1 0 277.318 2.492 10 0 CEAERO C[NH+](C)CCC[N@H+](C)[C@@H](CC(=O)[O-])c1ccccc1 ZINC000111152315 186360755 /nfs/dbraw/zinc/36/07/55/186360755.db2.gz BTWLKAILOYBDIU-AWEZNQCLSA-N 1 0 264.369 2.086 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccco1)N(C)C[C@@H]1CCCOC1 ZINC000111154438 186361050 /nfs/dbraw/zinc/36/10/50/186361050.db2.gz XTZUFTNOBKTMCP-YDHLFZDLSA-N 1 0 266.385 2.416 10 0 CEAERO CC(C)CC[C@@](C)(CN)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111157858 186361633 /nfs/dbraw/zinc/36/16/33/186361633.db2.gz WMOAYYRBWGFBDT-GJZGRUSLSA-N 1 0 256.434 2.498 10 0 CEAERO C[C@H]([C@@H](N)c1ccccc1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111160419 186362002 /nfs/dbraw/zinc/36/20/02/186362002.db2.gz VANMXZVDRUYOJY-IJEWVQPXSA-N 1 0 262.397 2.433 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccncc1)N(C)CC1CCOCC1 ZINC000111156021 186363022 /nfs/dbraw/zinc/36/30/22/186363022.db2.gz NECANTIMDPTNJT-JKSUJKDBSA-N 1 0 277.412 2.218 10 0 CEAERO CCC1CCC(C[NH3+])(N(C)S(=O)(=O)C(C)(C)C)CC1 ZINC000111071399 186351296 /nfs/dbraw/zinc/35/12/96/186351296.db2.gz NCVOGGYURSGWSK-UHFFFAOYSA-N 1 0 290.473 2.344 10 0 CEAERO CN(C[C@@H]1C[C@H]2CC[C@@H]1C2)C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000111104971 186352760 /nfs/dbraw/zinc/35/27/60/186352760.db2.gz PDVLQUCAFIIKTG-ZQNQSHIBSA-N 1 0 264.413 2.399 10 0 CEAERO CCOCCN(CC)[C@@H](c1ccccc1OC)[C@@H](C)[NH3+] ZINC000111116656 186354095 /nfs/dbraw/zinc/35/40/95/186354095.db2.gz GVXZCIGGJFWKMZ-CZUORRHYSA-N 1 0 280.412 2.442 10 0 CEAERO CCOCCN(CC)Cc1cc(C[NH2+]CC(C)C)no1 ZINC000111123914 186354674 /nfs/dbraw/zinc/35/46/74/186354674.db2.gz AWDUAMLSUGMMHV-UHFFFAOYSA-N 1 0 283.416 2.279 10 0 CEAERO CCOCC[N@H+](CC)Cc1cccc(C(N)=S)c1 ZINC000111119344 186355005 /nfs/dbraw/zinc/35/50/05/186355005.db2.gz JZJOGMLBITXQQW-UHFFFAOYSA-N 1 0 266.410 2.179 10 0 CEAERO CN(CCC[NH+](C)C)c1ccc(C(N)=S)cc1Cl ZINC000111139072 186357184 /nfs/dbraw/zinc/35/71/84/186357184.db2.gz KKRCDUYGIPWPMR-UHFFFAOYSA-N 1 0 285.844 2.362 10 0 CEAERO CN(CC1CCOCC1)c1ccc(Cl)cc1C(N)=[NH2+] ZINC000111164066 186364100 /nfs/dbraw/zinc/36/41/00/186364100.db2.gz AELQGFVYCOZLAB-UHFFFAOYSA-N 1 0 281.787 2.487 10 0 CEAERO COc1ccc([C@H](O)C[N@H+](C)CC2CCOCC2)cc1 ZINC000111168963 186364442 /nfs/dbraw/zinc/36/44/42/186364442.db2.gz CSVCDDPFIBYYNP-MRXNPFEDSA-N 1 0 279.380 2.087 10 0 CEAERO O=C(NCC[C@H]1CCCC[NH2+]1)[C@H]1CCOc2ccccc21 ZINC000111186363 186367202 /nfs/dbraw/zinc/36/72/02/186367202.db2.gz UZNXXCPJHAQLOG-HIFRSBDPSA-N 1 0 288.391 2.201 10 0 CEAERO CN(Cc1ccccc1F)[C@@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111320797 186396982 /nfs/dbraw/zinc/39/69/82/186396982.db2.gz KVYQRMVFPJLWFM-HIFRSBDPSA-N 1 0 266.360 2.011 10 0 CEAERO CC(C)[NH2+]C[C@]1(CN(C)Cc2ccncc2)CCCOC1 ZINC000111325738 186399170 /nfs/dbraw/zinc/39/91/70/186399170.db2.gz MWAJGKIEPZFSEI-KRWDZBQOSA-N 1 0 291.439 2.308 10 0 CEAERO O=C(OC1CCCC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111241162 186374501 /nfs/dbraw/zinc/37/45/01/186374501.db2.gz FJGUHHFQNSZOFG-SNVBAGLBSA-N 1 0 251.248 2.014 10 0 CEAERO CC(C)N(Cc1ccccc1)C(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000111263233 186381008 /nfs/dbraw/zinc/38/10/08/186381008.db2.gz RRYPLWMTWCTJPA-DZGCQCFKSA-N 1 0 260.381 2.279 10 0 CEAERO Cc1ccc(NC(=O)[C@H]2C[NH2+]C[C@H]2C)c(Cl)c1 ZINC000111263786 186382160 /nfs/dbraw/zinc/38/21/60/186382160.db2.gz DSEACWHXBZQDCL-ZJUUUORDSA-N 1 0 252.745 2.442 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc(-c2cnco2)c1 ZINC000111267637 186382793 /nfs/dbraw/zinc/38/27/93/186382793.db2.gz GAGYTWVUNVXMKH-MFKMUULPSA-N 1 0 271.320 2.136 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@H]2C[NH2+]C[C@@H]2C)c(C)c1 ZINC000111267420 186383397 /nfs/dbraw/zinc/38/33/97/186383397.db2.gz JJMZPVBZBFRCTL-YDHLFZDLSA-N 1 0 260.381 2.336 10 0 CEAERO CC(C)N(Cc1cccs1)C(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000111271808 186383823 /nfs/dbraw/zinc/38/38/23/186383823.db2.gz PRXPUNQMVYHSHT-AAEUAGOBSA-N 1 0 266.410 2.341 10 0 CEAERO CCN(C(=O)[C@@H]1C[NH2+]C[C@@H]1C)c1cccc(F)c1 ZINC000111272099 186385063 /nfs/dbraw/zinc/38/50/63/186385063.db2.gz NCYVRJIFBYCLIE-GXFFZTMASA-N 1 0 250.317 2.034 10 0 CEAERO C[C@H](NC(=O)c1ccc(C[NH3+])cn1)c1ccccc1F ZINC000111281853 186387854 /nfs/dbraw/zinc/38/78/54/186387854.db2.gz NPHCSGLMNFAVBB-JTQLQIEISA-N 1 0 273.311 2.170 10 0 CEAERO C[C@@H](NC(=O)c1ccc(C[NH3+])cn1)C1CCCCC1 ZINC000111282327 186388563 /nfs/dbraw/zinc/38/85/63/186388563.db2.gz XMBRJEYJCYTVKB-LLVKDONJSA-N 1 0 261.369 2.239 10 0 CEAERO C[C@H](CCNC(=O)c1ccc(C[NH3+])cn1)c1ccccc1 ZINC000111282418 186389808 /nfs/dbraw/zinc/38/98/08/186389808.db2.gz ANUYMIKKSBAGJP-CYBMUJFWSA-N 1 0 283.375 2.464 10 0 CEAERO C[NH+](C)[C@@H]1CCN(c2ccc(N)cc2C(F)F)C1 ZINC000111292128 186390689 /nfs/dbraw/zinc/39/06/89/186390689.db2.gz SSCQHJZWYWTAKX-SNVBAGLBSA-N 1 0 255.312 2.347 10 0 CEAERO CCOC1CCN(c2ccc(F)cc2CC[NH3+])CC1 ZINC000111481842 186422643 /nfs/dbraw/zinc/42/26/43/186422643.db2.gz GBIJXZBBBFRZFP-UHFFFAOYSA-N 1 0 266.360 2.332 10 0 CEAERO Cc1nn(C)c(N2CCC[C@@H](C)[C@@H]2C)c1C[C@@H](C)[NH3+] ZINC000111495594 186423386 /nfs/dbraw/zinc/42/33/86/186423386.db2.gz LQBHGCKEDRFAHC-WZRBSPASSA-N 1 0 264.417 2.243 10 0 CEAERO Cc1nn(C)c(N(C)Cc2cccc(F)c2)c1C[C@H](C)[NH3+] ZINC000111490254 186423808 /nfs/dbraw/zinc/42/38/08/186423808.db2.gz CYPJNDHDNHWRGK-NSHDSACASA-N 1 0 290.386 2.394 10 0 CEAERO C[C@H]([NH3+])Cc1cc(F)c(N2CCCOCC2)c(F)c1 ZINC000111500692 186424535 /nfs/dbraw/zinc/42/45/35/186424535.db2.gz ONFNJWVILHZGLU-JTQLQIEISA-N 1 0 270.323 2.081 10 0 CEAERO CC[C@H]([NH3+])Cc1cc(F)ccc1N(C)CCOC ZINC000111509658 186424669 /nfs/dbraw/zinc/42/46/69/186424669.db2.gz XOBOQLBQVRILKH-ZDUSSCGKSA-N 1 0 254.349 2.188 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc(F)ccc1-n1nc(C)nc1C ZINC000111514734 186426018 /nfs/dbraw/zinc/42/60/18/186426018.db2.gz FDGVTXFYHUCDMV-CYBMUJFWSA-N 1 0 262.332 2.303 10 0 CEAERO Cc1cc(Sc2nncn2C)ccc1C[C@@H](C)[NH3+] ZINC000111581881 186430212 /nfs/dbraw/zinc/43/02/12/186430212.db2.gz PXVVYDNJTPWQGF-SNVBAGLBSA-N 1 0 262.382 2.164 10 0 CEAERO CCCCOC(=O)CN1CCC[C@H](C[NH2+]C(C)(C)C)C1 ZINC000111699885 186446860 /nfs/dbraw/zinc/44/68/60/186446860.db2.gz QIGZLPIFYMMQOY-CQSZACIVSA-N 1 0 284.444 2.430 10 0 CEAERO C[NH2+][C@H](C)[C@H]1CCCCN1CC(=O)Nc1cccc(F)c1 ZINC000111710319 186448903 /nfs/dbraw/zinc/44/89/03/186448903.db2.gz FQCNPVWXOGWZQX-IUODEOHRSA-N 1 0 293.386 2.227 10 0 CEAERO C[NH2+][C@H](C)C1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000111708683 186449386 /nfs/dbraw/zinc/44/93/86/186449386.db2.gz YDTPFIUXHKAGFM-GFCCVEGCSA-N 1 0 293.386 2.084 10 0 CEAERO CC(C)C[NH2+]CC1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000111719153 186450015 /nfs/dbraw/zinc/45/00/15/186450015.db2.gz SQYSRYMJQRTKHM-UHFFFAOYSA-N 1 0 290.473 2.072 10 0 CEAERO C[C@H]1C[C@H]1CN(C)C(=O)C1(C[NH3+])CCCCCC1 ZINC000111733353 186451377 /nfs/dbraw/zinc/45/13/77/186451377.db2.gz GKUBUTNBNBTGDC-STQMWFEESA-N 1 0 252.402 2.400 10 0 CEAERO c1nnc(COC2CC[NH2+]CC2)n1C1CCCCC1 ZINC000111757092 186453500 /nfs/dbraw/zinc/45/35/00/186453500.db2.gz AAYJHPRJOMNHHK-UHFFFAOYSA-N 1 0 264.373 2.052 10 0 CEAERO Fc1ccc2nc(COC3CC[NH2+]CC3)oc2c1 ZINC000111756808 186453944 /nfs/dbraw/zinc/45/39/44/186453944.db2.gz WTVIBOPZTJDYHP-UHFFFAOYSA-N 1 0 250.273 2.236 10 0 CEAERO COc1ccc([C@H](C)[NH2+][C@H]2CCCNC(=O)C2)cc1OC ZINC000111826030 186459872 /nfs/dbraw/zinc/45/98/72/186459872.db2.gz HPTVEWTZFMAVSO-AAEUAGOBSA-N 1 0 292.379 2.023 10 0 CEAERO COc1cccc(C(=O)N[C@@]2(C[NH3+])CCC[C@H](C)C2)c1 ZINC000111369697 186407475 /nfs/dbraw/zinc/40/74/75/186407475.db2.gz JLURXDRYLSISRA-LRDDRELGSA-N 1 0 276.380 2.333 10 0 CEAERO CCC(CC)N(CC[NH3+])C(=O)c1ccc2c(c1)OCCO2 ZINC000111368843 186407979 /nfs/dbraw/zinc/40/79/79/186407979.db2.gz WAEFPYBMUGSKDW-UHFFFAOYSA-N 1 0 292.379 2.047 10 0 CEAERO C[C@H]1CCC[C@](C[NH3+])(NC(=O)c2cccc(F)c2)C1 ZINC000111370059 186407988 /nfs/dbraw/zinc/40/79/88/186407988.db2.gz MWLXSNHJHSXNOC-NHYWBVRUSA-N 1 0 264.344 2.463 10 0 CEAERO Cc1ccc(C(=O)NC2(C[NH3+])CCC(C)CC2)c(O)c1 ZINC000111370357 186408136 /nfs/dbraw/zinc/40/81/36/186408136.db2.gz JSIHNPWVKXHTLB-UHFFFAOYSA-N 1 0 276.380 2.338 10 0 CEAERO Cc1sc2ncnc(N(C)C[C@@H](C)[NH3+])c2c1C ZINC000111375800 186409742 /nfs/dbraw/zinc/40/97/42/186409742.db2.gz DZQRFTCXHDPVMH-SSDOTTSWSA-N 1 0 250.371 2.092 10 0 CEAERO CCC[C@]1(C(=O)NCc2cc(F)ccc2F)CC[NH2+]C1 ZINC000111406200 186414207 /nfs/dbraw/zinc/41/42/07/186414207.db2.gz WACDIFXYJIBTRW-HNNXBMFYSA-N 1 0 282.334 2.361 10 0 CEAERO CC[NH2+]C[C@@H]1CCN(Cc2cc(F)ccc2F)C1 ZINC000111405937 186414215 /nfs/dbraw/zinc/41/42/15/186414215.db2.gz OFSFBMUNLDTNIO-NSHDSACASA-N 1 0 254.324 2.396 10 0 CEAERO CCC[NH2+][C@@H]1c2ccc(O[C@@H](C)COC)cc2NC1=O ZINC000112213865 186475685 /nfs/dbraw/zinc/47/56/85/186475685.db2.gz UYHUAGCLIRFUHU-IINYFYTJSA-N 1 0 278.352 2.093 10 0 CEAERO C[C@@H]([NH2+]CCn1ccccc1=O)c1ccccc1F ZINC000112091039 186469819 /nfs/dbraw/zinc/46/98/19/186469819.db2.gz HWMDKLBYAYLJMR-GFCCVEGCSA-N 1 0 260.312 2.338 10 0 CEAERO c1ccc2c(c1)CCC[C@@H]2C[NH2+]CCCN1CCOCC1 ZINC000113476006 186580169 /nfs/dbraw/zinc/58/01/69/186580169.db2.gz RSDKCQNNNRUBQX-QGZVFWFLSA-N 1 0 288.435 2.418 10 0 CEAERO COCc1cc(-c2cnn(CCC[NH3+])c2)cs1 ZINC000629746448 351495401 /nfs/dbraw/zinc/49/54/01/351495401.db2.gz BFMYHHCRPJTRLP-UHFFFAOYSA-N 1 0 251.355 2.107 10 0 CEAERO CCCCN(CC(F)(F)F)C(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000111268986 282764171 /nfs/dbraw/zinc/76/41/71/282764171.db2.gz ZLOCBJZHKQQUIG-ZJUUUORDSA-N 1 0 266.307 2.033 10 0 CEAERO CSC(C)(C)CNC(=O)C(C)(C)[C@H]1CCC[NH2+]C1 ZINC000119875015 186858735 /nfs/dbraw/zinc/85/87/35/186858735.db2.gz UZUUCEXJWRIOAU-NSHDSACASA-N 1 0 272.458 2.270 10 0 CEAERO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000120032938 186870666 /nfs/dbraw/zinc/87/06/66/186870666.db2.gz WHJUJCWTWHIEBU-XQQFMLRXSA-N 1 0 273.442 2.368 10 0 CEAERO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2C[C@@H]2C)c(OC)c1 ZINC000120421223 186898891 /nfs/dbraw/zinc/89/88/91/186898891.db2.gz VXNUYHNJYJSMMI-COPLHBTASA-N 1 0 292.379 2.419 10 0 CEAERO CCN1CCC[C@H]([NH2+][C@@H]2CCO[C@H](C(C)C)C2)C1 ZINC000070359366 363076060 /nfs/dbraw/zinc/07/60/60/363076060.db2.gz HHSQHDALPATEMF-ILXRZTDVSA-N 1 0 254.418 2.264 10 0 CEAERO [NH3+]C1CCN(C[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000070459726 363087342 /nfs/dbraw/zinc/08/73/42/363087342.db2.gz FAUNZQJOOLDENE-CYBMUJFWSA-N 1 0 288.313 2.162 10 0 CEAERO CO[C@H]1CN(Cc2ccc(Cl)c(F)c2)[C@](C)(C[NH3+])C1 ZINC000630365460 351713298 /nfs/dbraw/zinc/71/32/98/351713298.db2.gz ICNQSVDCIGXGAP-RISCZKNCSA-N 1 0 286.778 2.417 10 0 CEAERO C[C@H]1CC[C@H](Nc2nccc(C(F)(F)F)n2)C[NH2+]1 ZINC000630533589 351775187 /nfs/dbraw/zinc/77/51/87/351775187.db2.gz DUGZYTFPBFGZES-YUMQZZPRSA-N 1 0 260.263 2.048 10 0 CEAERO C[C@]12C[NH2+]C[C@@]1(C)CN(c1ncnc3ccccc31)C2 ZINC000630538439 351777494 /nfs/dbraw/zinc/77/74/94/351777494.db2.gz MAEMORUURLAEQG-IYBDPMFKSA-N 1 0 268.364 2.066 10 0 CEAERO Cn1c2ccccc2nc1N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000630539886 351778039 /nfs/dbraw/zinc/77/80/39/351778039.db2.gz MZRFWHVHWYEWNU-IYBDPMFKSA-N 1 0 270.380 2.009 10 0 CEAERO CCCc1nsc(N2CCCCC[C@@H]([NH3+])C2)n1 ZINC000630549991 351781477 /nfs/dbraw/zinc/78/14/77/351781477.db2.gz RPJDHZJCQCYRNK-SNVBAGLBSA-N 1 0 254.403 2.198 10 0 CEAERO [NH3+]C[C@@H]1CN(c2ccc(F)cn2)CC[C@H]1C(F)(F)F ZINC000630527060 351773404 /nfs/dbraw/zinc/77/34/04/351773404.db2.gz GVOMVAOHAAMVQI-PSASIEDQSA-N 1 0 277.265 2.184 10 0 CEAERO [NH3+][C@@H]1CCC[C@H](C(=O)N(CC2CC2)CC2CC2)C1 ZINC000070505385 363092970 /nfs/dbraw/zinc/09/29/70/363092970.db2.gz OHZURUWTRJIXBL-UONOGXRCSA-N 1 0 250.386 2.153 10 0 CEAERO C[C@]1(c2ccc(Br)s2)C[C@]1(C[NH3+])CO 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C[C@@H]1CN(Cc2cccc(Cl)n2)C[C@@H]1[NH+](C)C ZINC000124122328 187123159 /nfs/dbraw/zinc/12/31/59/187123159.db2.gz YDBSIAZCUSJYLE-PWSUYJOCSA-N 1 0 253.777 2.117 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)Cc1ccccc1O ZINC000124213621 187127047 /nfs/dbraw/zinc/12/70/47/187127047.db2.gz OZSFQGWPROZMGZ-CQSZACIVSA-N 1 0 278.396 2.027 10 0 CEAERO CC[C@](C)(O)C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000123433989 187091595 /nfs/dbraw/zinc/09/15/95/187091595.db2.gz NYCGMWZNLRSDGF-INIZCTEOSA-N 1 0 262.397 2.360 10 0 CEAERO O=C(CC[NH2+][C@H]1CCc2c1cccc2O)N1CCCCC1 ZINC000123763276 187108114 /nfs/dbraw/zinc/10/81/14/187108114.db2.gz KXNYLSQCHJHGCD-HNNXBMFYSA-N 1 0 288.391 2.372 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH2+]CCn1cc(C)cn1)CC2 ZINC000123949260 187115535 /nfs/dbraw/zinc/11/55/35/187115535.db2.gz JBRNKNIDKPXBDF-MRXNPFEDSA-N 1 0 271.364 2.477 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(C)c(N)c1 ZINC000092621279 539827514 /nfs/dbraw/zinc/82/75/14/539827514.db2.gz HKOAHNPHQAOYIA-CQSZACIVSA-N 1 0 275.396 2.134 10 0 CEAERO CN(CC[N@@H+]1CC[C@@H](c2cnn(C)c2)C1)c1ccccc1 ZINC000131737891 366082762 /nfs/dbraw/zinc/08/27/62/366082762.db2.gz YJOYSHYZMOXCGB-OAHLLOKOSA-N 1 0 284.407 2.346 10 0 CEAERO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NC[C@H](C)[NH3+])cc1 ZINC000249089657 539844940 /nfs/dbraw/zinc/84/49/40/539844940.db2.gz KALHGTVHYGJINZ-CQDKDKBSSA-N 1 0 260.381 2.377 10 0 CEAERO COc1ccccc1[C@H](C)NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000149311184 539869336 /nfs/dbraw/zinc/86/93/36/539869336.db2.gz XMAPTMRZCKCHDM-SGMGOOAPSA-N 1 0 276.380 2.247 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)CCOc1cccc(Cl)c1 ZINC000238025797 539884928 /nfs/dbraw/zinc/88/49/28/539884928.db2.gz JESDUJDQRQICJU-SMDDNHRTSA-N 1 0 296.798 2.353 10 0 CEAERO CCC[NH2+][C@@H](CO)CN1CCCc2cc(C)ccc21 ZINC000085216446 535186354 /nfs/dbraw/zinc/18/63/54/535186354.db2.gz KGNDYDHKFURISI-OAHLLOKOSA-N 1 0 262.397 2.108 10 0 CEAERO CCC[NH2+][C@@H](CO)CCN1CCCc2ccccc21 ZINC000085238968 535186748 /nfs/dbraw/zinc/18/67/48/535186748.db2.gz SATCMCPYKNVSOC-OAHLLOKOSA-N 1 0 262.397 2.190 10 0 CEAERO [NH3+][C@@H]1CC[C@H](C(=O)Nc2cccc3cccnc32)C1 ZINC000097092099 539947242 /nfs/dbraw/zinc/94/72/42/539947242.db2.gz MWCBPQZMUZJMTL-NWDGAFQWSA-N 1 0 255.321 2.301 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000250634796 539967247 /nfs/dbraw/zinc/96/72/47/539967247.db2.gz FFTCIQJCMFRIFI-VPOLOUISSA-N 1 0 278.318 2.351 10 0 CEAERO Cc1csc([C@H](C)NC(=O)[C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000250875642 539969292 /nfs/dbraw/zinc/96/92/92/539969292.db2.gz PBSRXGFYYSOUHH-GARJFASQSA-N 1 0 267.398 2.004 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)NCC1(c2ccc(F)cc2)CCC1 ZINC000236940230 370660576 /nfs/dbraw/zinc/66/05/76/370660576.db2.gz UBWBRXXHEZGGGF-CQSZACIVSA-N 1 0 278.371 2.491 10 0 CEAERO COc1cc(F)c(NC(=O)N2CC[C@H]([NH+](C)C)C2)cc1F ZINC000156116235 188244124 /nfs/dbraw/zinc/24/41/24/188244124.db2.gz WLZWBZNSHLQMQC-VIFPVBQESA-N 1 0 299.321 2.141 10 0 CEAERO CC1(C)CCc2ccccc2[C@H]1[NH2+]CCS(C)(=O)=O ZINC000156734374 188279003 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CC[C@H](O)CN1CC[NH+](C[C@H]2CCC[C@H](C)C2)CC1 ZINC000133413879 366221907 /nfs/dbraw/zinc/22/19/07/366221907.db2.gz XBRGQGWDERNABH-JYJNAYRXSA-N 1 0 268.445 2.201 10 0 CEAERO CC(=O)Nc1cccc2c1C[NH2+]C[C@@H]2C(F)(F)F ZINC000675056253 540074208 /nfs/dbraw/zinc/07/42/08/540074208.db2.gz NEZLLSLVYCYMJQ-JTQLQIEISA-N 1 0 258.243 2.394 10 0 CEAERO CCC(C)(C)[NH2+]C1CCC2(CS(=O)(=O)C2)CC1 ZINC000675056282 540074243 /nfs/dbraw/zinc/07/42/43/540074243.db2.gz GNVGQNMCZHRVQY-UHFFFAOYSA-N 1 0 259.415 2.122 10 0 CEAERO Cc1cc(C2=C[C@H]([NH3+])CN(C(=O)OC(C)(C)C)C2)sn1 ZINC000675078833 540119600 /nfs/dbraw/zinc/11/96/00/540119600.db2.gz UPLQFHHZADYAST-NSHDSACASA-N 1 0 295.408 2.413 10 0 CEAERO Cc1ccc(C[NH2+][C@H]2CCCN(CCO)C2)c(Cl)c1 ZINC000384275821 540204915 /nfs/dbraw/zinc/20/49/15/540204915.db2.gz ABBPCYWINMTDBD-AWEZNQCLSA-N 1 0 282.815 2.195 10 0 CEAERO C[C@@H](C[NH2+][C@@H]1CCc2ncnn2C1)Cc1ccccc1 ZINC000133866797 366263110 /nfs/dbraw/zinc/26/31/10/366263110.db2.gz SYOTVFPRULIVQG-UKRRQHHQSA-N 1 0 270.380 2.061 10 0 CEAERO Cc1sc2ncnc(N[C@H](C)CC[NH3+])c2c1C ZINC000134269501 366305809 /nfs/dbraw/zinc/30/58/09/366305809.db2.gz SIMQOTQJDPNIRY-SSDOTTSWSA-N 1 0 250.371 2.457 10 0 CEAERO C[C@H](CNC(=O)N[C@H]1C[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000076074358 363518185 /nfs/dbraw/zinc/51/81/85/363518185.db2.gz SAIWLQSBIWRISD-IOASZLSFSA-N 1 0 287.407 2.141 10 0 CEAERO C[NH+](C)[C@H]1CC[C@H](NC(=O)c2ccnn2C2CCCC2)C1 ZINC000329023627 202157163 /nfs/dbraw/zinc/15/71/63/202157163.db2.gz UMEKYJNYIRQTFW-JSGCOSHPSA-N 1 0 290.411 2.211 10 0 CEAERO CCCN(CC[NH+](CC)CC)C(=O)[C@@H]1CCCO[C@@H]1C ZINC000190269706 283234320 /nfs/dbraw/zinc/23/43/20/283234320.db2.gz WLSHSWHXTGPFJV-HUUCEWRRSA-N 1 0 284.444 2.382 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)OCC1CC1 ZINC000119617202 538794917 /nfs/dbraw/zinc/79/49/17/538794917.db2.gz WWQGPHGGYOKHEO-UKRRQHHQSA-N 1 0 282.428 2.038 10 0 CEAERO O=C1NCC[C@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC000676234639 538806153 /nfs/dbraw/zinc/80/61/53/538806153.db2.gz HMRPIFKTCAUOIX-YMAMQOFZSA-N 1 0 258.365 2.191 10 0 CEAERO Cc1sc([C@H](O)CC[NH3+])cc1Br ZINC000217657121 538867204 /nfs/dbraw/zinc/86/72/04/538867204.db2.gz NQBMMCQHVTYWII-SSDOTTSWSA-N 1 0 250.161 2.201 10 0 CEAERO [NH3+]C1CCC(C(=O)N2CCc3ccccc3CC2)CC1 ZINC000079572372 538887886 /nfs/dbraw/zinc/88/78/86/538887886.db2.gz PSBZNZJAPMVKGQ-UHFFFAOYSA-N 1 0 272.392 2.131 10 0 CEAERO C[C@@H]1CC[C@H]([NH+]2CCC(C3N=NC(=O)O3)CC2)C1 ZINC000336267035 213103962 /nfs/dbraw/zinc/10/39/62/213103962.db2.gz XZMRRTFRAMERGG-KOLCDFICSA-N 1 0 251.330 2.143 10 0 CEAERO C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCCCC[C@@H]2O)cc1 ZINC000135957532 366485573 /nfs/dbraw/zinc/48/55/73/366485573.db2.gz BDNBHPUAXLTFBL-HOTGVXAUSA-N 1 0 290.407 2.172 10 0 CEAERO Cc1csc([C@@H](C)NC(=O)C[C@H]2CCC[NH2+]C2)n1 ZINC000080272256 363653941 /nfs/dbraw/zinc/65/39/41/363653941.db2.gz IVDGUXJIVJNSPK-GHMZBOCLSA-N 1 0 267.398 2.018 10 0 CEAERO C[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)C(=O)Nc1ccccc1 ZINC000667859527 540524518 /nfs/dbraw/zinc/52/45/18/540524518.db2.gz RJHWBSTYWFMUSN-NILFDRSVSA-N 1 0 274.364 2.171 10 0 CEAERO CC(F)(F)Cc1nc([C@H]2CN3CCCC[C@@H]3CO2)no1 ZINC000329579396 202394686 /nfs/dbraw/zinc/39/46/86/202394686.db2.gz KSVKAHQJDZDMFS-NXEZZACHSA-N 1 0 287.310 2.193 10 0 CEAERO COc1ccccc1[C@H](C)NC[C@H](O)C[NH+]1CCCCC1 ZINC000151282379 366635882 /nfs/dbraw/zinc/63/58/82/366635882.db2.gz HYHYPHXRUYUANA-GJZGRUSLSA-N 1 0 292.423 2.193 10 0 CEAERO COc1ccc(F)c(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000176641317 189002675 /nfs/dbraw/zinc/00/26/75/189002675.db2.gz QXJHYMKFYGOFNE-LLVKDONJSA-N 1 0 293.342 2.146 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1COc2ccccc21 ZINC000177032619 189022744 /nfs/dbraw/zinc/02/27/44/189022744.db2.gz IBDYPMUJHKJLQJ-UKRRQHHQSA-N 1 0 288.391 2.105 10 0 CEAERO COc1cccc([C@@H](C)[NH2+]C[C@@H](C)N2CCOCC2)c1 ZINC000177199167 189036140 /nfs/dbraw/zinc/03/61/40/189036140.db2.gz NWSRGVXHWBBTPV-ZIAGYGMSSA-N 1 0 278.396 2.067 10 0 CEAERO C[C@@H](C[NH2+][C@@H](C)c1ccsc1)N1CCOCC1 ZINC000177731832 189066420 /nfs/dbraw/zinc/06/64/20/189066420.db2.gz DVTZUGBPQDONQP-RYUDHWBXSA-N 1 0 254.399 2.119 10 0 CEAERO COCc1cccc(CN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000179214628 189178297 /nfs/dbraw/zinc/17/82/97/189178297.db2.gz AIVYSELWNOARFV-MRXNPFEDSA-N 1 0 260.381 2.113 10 0 CEAERO CCC[C@@H](C(=O)NCCc1ccccc1C)[NH+](C)C ZINC000179238288 189179825 /nfs/dbraw/zinc/17/98/25/189179825.db2.gz FNRWOUHQTLHXBS-HNNXBMFYSA-N 1 0 262.397 2.384 10 0 CEAERO CCC[C@H](C(=O)N[C@@H]1CCOc2ccc(F)cc21)[NH+](C)C ZINC000179260929 189181603 /nfs/dbraw/zinc/18/16/03/189181603.db2.gz NFKNXNGKRFQLAD-ZIAGYGMSSA-N 1 0 294.370 2.496 10 0 CEAERO Cc1cnn(CC[NH2+][C@@H](C)c2ccc3c(c2)CCO3)c1 ZINC000179293170 189183939 /nfs/dbraw/zinc/18/39/39/189183939.db2.gz JFRLZFZPUPHTAJ-ZDUSSCGKSA-N 1 0 271.364 2.477 10 0 CEAERO COCc1ccc(CN2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000179547294 189201301 /nfs/dbraw/zinc/20/13/01/189201301.db2.gz SQMGKIVYTMJEJB-MRXNPFEDSA-N 1 0 260.381 2.113 10 0 CEAERO CSc1cc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)ccc1F ZINC000179814001 189221857 /nfs/dbraw/zinc/22/18/57/189221857.db2.gz JQIHHOADTXEDHW-LBPRGKRZSA-N 1 0 294.395 2.468 10 0 CEAERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3ncnn3C2)s1 ZINC000180596055 189264073 /nfs/dbraw/zinc/26/40/73/189264073.db2.gz FVOXRPUUHKFCMC-GHMZBOCLSA-N 1 0 262.382 2.314 10 0 CEAERO [NH3+][C@H]1CCC[C@H](NC(=O)N2CCc3ccc(F)c(F)c32)C1 ZINC000334954446 283633536 /nfs/dbraw/zinc/63/35/36/283633536.db2.gz ZHIPFUWHWIKPSL-QWRGUYRKSA-N 1 0 295.333 2.307 10 0 CEAERO CCCc1csc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000180693194 189270127 /nfs/dbraw/zinc/27/01/27/189270127.db2.gz PLVAULZVPQVOML-LBPRGKRZSA-N 1 0 294.424 2.408 10 0 CEAERO CCn1c(C)[n+](CC)c2cc(N(C)C(C)=O)ccc21 ZINC000000363031 361165876 /nfs/dbraw/zinc/16/58/76/361165876.db2.gz YSMHUIGKBKIZLW-UHFFFAOYSA-N 1 0 260.361 2.260 10 0 CEAERO Cc1ccc(C[C@H](C)C(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000181200422 189290744 /nfs/dbraw/zinc/29/07/44/189290744.db2.gz YRQWCKHQVMCNFF-HOCLYGCPSA-N 1 0 274.408 2.336 10 0 CEAERO CC[C@H](CSC)NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000181208248 189291368 /nfs/dbraw/zinc/29/13/68/189291368.db2.gz ODAXFWVDDJTGOZ-HUUCEWRRSA-N 1 0 294.464 2.417 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cnn(CC(C)C)c1 ZINC000181248421 189292131 /nfs/dbraw/zinc/29/21/31/189292131.db2.gz CVUPZXJSPINYTJ-HNNXBMFYSA-N 1 0 292.427 2.095 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)N[C@H](C1CCCC1)C(F)(F)F ZINC000236997436 370675017 /nfs/dbraw/zinc/67/50/17/370675017.db2.gz AELXXJMUQGIPCL-NXEZZACHSA-N 1 0 266.307 2.351 10 0 CEAERO C[C@H]([NH2+]CC(=O)N(C)C1CC1)c1ccc(F)c(F)c1 ZINC000181632598 189302655 /nfs/dbraw/zinc/30/26/55/189302655.db2.gz MBCLPYKMJVGFRU-VIFPVBQESA-N 1 0 268.307 2.236 10 0 CEAERO CCc1ccc([C@@H](C)[NH2+]CC(=O)Nc2nncs2)cc1 ZINC000182189703 189316624 /nfs/dbraw/zinc/31/66/24/189316624.db2.gz NZYHHJHWRXQFQR-SNVBAGLBSA-N 1 0 290.392 2.390 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)Cc2ccc(Cl)cc2)C1 ZINC000082286711 363759665 /nfs/dbraw/zinc/75/96/65/363759665.db2.gz HFMKGKAGAXKTCP-ZDUSSCGKSA-N 1 0 266.772 2.045 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)c2c(F)cccc2Cl)C1 ZINC000082287046 363760378 /nfs/dbraw/zinc/76/03/78/363760378.db2.gz CGVGGIVGAHEKIC-VIFPVBQESA-N 1 0 270.735 2.255 10 0 CEAERO CSCC[C@H]([NH3+])C(=O)Nc1cccc2cccnc21 ZINC000011755078 361363771 /nfs/dbraw/zinc/36/37/71/361363771.db2.gz GRMLCRHYLSDBHS-NSHDSACASA-N 1 0 275.377 2.254 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc2[nH]ccc2c1 ZINC000083550242 363778534 /nfs/dbraw/zinc/77/85/34/363778534.db2.gz XGJYALZZOPFZKE-SWLSCSKDSA-N 1 0 283.375 2.477 10 0 CEAERO Cc1ccc([C@@H](C)[NH2+]CCCS(=O)(=O)C(C)C)o1 ZINC000182579336 189328199 /nfs/dbraw/zinc/32/81/99/189328199.db2.gz QVCGDYCUBDWELP-GFCCVEGCSA-N 1 0 273.398 2.452 10 0 CEAERO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1F)[C@H]1CCCO1 ZINC000183093561 189346363 /nfs/dbraw/zinc/34/63/63/189346363.db2.gz ZSLTYKDPWCDRIL-NOZJJQNGSA-N 1 0 284.306 2.060 10 0 CEAERO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc1ccccc1)[C@@H]1CCCO1 ZINC000183104605 189347088 /nfs/dbraw/zinc/34/70/88/189347088.db2.gz YRUSQSJLNKSCBK-YCPHGPKFSA-N 1 0 290.407 2.191 10 0 CEAERO C[C@H]([NH2+]CC(=O)NCc1cccc(Cl)c1)[C@H]1CCCO1 ZINC000183151474 189348197 /nfs/dbraw/zinc/34/81/97/189348197.db2.gz UCOGHJNGZZVCBA-SMDDNHRTSA-N 1 0 296.798 2.113 10 0 CEAERO OC[C@H]1CCC[N@@H+]1C[C@H]1CCCN1c1ccncc1Cl ZINC000301696507 201145238 /nfs/dbraw/zinc/14/52/38/201145238.db2.gz BHJRCOABSICYDO-CHWSQXEVSA-N 1 0 295.814 2.161 10 0 CEAERO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@H]1C ZINC000183552526 189362081 /nfs/dbraw/zinc/36/20/81/189362081.db2.gz OFFCAAQQNPBKMT-NTZNESFSSA-N 1 0 263.337 2.297 10 0 CEAERO CCC[C@H](C(=O)NC[C@@H](C)c1ncc(C)s1)[NH+](C)C ZINC000184017026 189374669 /nfs/dbraw/zinc/37/46/69/189374669.db2.gz YLJKHXLKMVAOLM-ZYHUDNBSSA-N 1 0 283.441 2.402 10 0 CEAERO C[C@H]1C[C@@H]([NH2+]CCN2CCOCC2)CC(C)(C)C1 ZINC000019954885 361571056 /nfs/dbraw/zinc/57/10/56/361571056.db2.gz UXBQSTUDMQNZHQ-UONOGXRCSA-N 1 0 254.418 2.123 10 0 CEAERO COC(=O)[C@H]1[C@@H]2CC[C@H](C[C@H]1c1ccccc1)[N@@H+]2C ZINC000026649130 361644490 /nfs/dbraw/zinc/64/44/90/361644490.db2.gz OMBOXYLBBHNWHL-CBBWQLFWSA-N 1 0 259.349 2.426 10 0 CEAERO CC(C)(C[NH2+][C@H]1CCCN(CCO)C1)c1ccccc1 ZINC000678730326 541167478 /nfs/dbraw/zinc/16/74/78/541167478.db2.gz UVCZJBFYVBAOSY-INIZCTEOSA-N 1 0 276.424 2.011 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@@H](C)CC2CCCC2)C1 ZINC000679031147 541207494 /nfs/dbraw/zinc/20/74/94/541207494.db2.gz DNWWNFNXCQOFKD-ZFWWWQNUSA-N 1 0 254.418 2.266 10 0 CEAERO COc1ccccc1[C@@H](C)CNc1cc[nH+]cc1C(N)=O ZINC000302127240 201352758 /nfs/dbraw/zinc/35/27/58/201352758.db2.gz AVZJQYOUJXFKHE-NSHDSACASA-N 1 0 285.347 2.405 10 0 CEAERO CC1CCN(CC[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000085636556 363836168 /nfs/dbraw/zinc/83/61/68/363836168.db2.gz XACYPVLNWJVNJL-KKUMJFAQSA-N 1 0 266.429 2.121 10 0 CEAERO [NH3+]Cc1cc(C(=O)NC2C3CC4CC(C3)CC2C4)co1 ZINC000187254163 189462656 /nfs/dbraw/zinc/46/26/56/189462656.db2.gz KLFDNQUKZYMIJP-UHFFFAOYSA-N 1 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HVJUWADPMMTPMH-SECBINFHSA-N 1 0 298.745 2.279 10 0 CEAERO CC1CCC(C[NH2+]C2CCC(C(N)=O)CC2)CC1 ZINC000089576246 363979222 /nfs/dbraw/zinc/97/92/22/363979222.db2.gz BMEMDJPYMIRRPA-UHFFFAOYSA-N 1 0 252.402 2.446 10 0 CEAERO c1cnn(CC2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000090473525 364059464 /nfs/dbraw/zinc/05/94/64/364059464.db2.gz AAHPPVHRDFRGCT-UHFFFAOYSA-N 1 0 256.353 2.190 10 0 CEAERO Cc1nc(C[C@H]2CCC[N@H+](Cc3cncs3)C2)no1 ZINC000092813803 364110330 /nfs/dbraw/zinc/11/03/30/364110330.db2.gz RPSWAZJBFFVWRT-LLVKDONJSA-N 1 0 278.381 2.289 10 0 CEAERO [NH3+][C@@H]1CCC[C@H](C(=O)Nc2cccc(OCCF)c2)C1 ZINC000237978142 370764253 /nfs/dbraw/zinc/76/42/53/370764253.db2.gz DGRSYCJHEBHZAQ-NWDGAFQWSA-N 1 0 280.343 2.491 10 0 CEAERO Cc1c(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)cnn1C ZINC000093649271 364208923 /nfs/dbraw/zinc/20/89/23/364208923.db2.gz CGXDIPFYBHZTAK-HNNXBMFYSA-N 1 0 288.395 2.248 10 0 CEAERO COc1c(C[N@@H+]2CCC[C@H]2CSC)c(C)nn1C ZINC000093761260 364222794 /nfs/dbraw/zinc/22/27/94/364222794.db2.gz BBQKKBDAHVRCDQ-NSHDSACASA-N 1 0 269.414 2.065 10 0 CEAERO [NH3+][C@H]1CC[C@H](C(=O)Nc2ccc(N3CCCCC3)cn2)C1 ZINC000237901616 370759052 /nfs/dbraw/zinc/75/90/52/370759052.db2.gz CFPBEKRHGLJBSV-STQMWFEESA-N 1 0 288.395 2.138 10 0 CEAERO Cc1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)c(F)c1 ZINC000094239550 364261623 /nfs/dbraw/zinc/26/16/23/364261623.db2.gz RXPBLONIFIDKMT-RISCZKNCSA-N 1 0 264.344 2.156 10 0 CEAERO CSc1nc(Cl)cc(NC[C@H]2CCC[NH2+]C2)n1 ZINC000095071774 364332280 /nfs/dbraw/zinc/33/22/80/364332280.db2.gz CPEPCNRNSIYMLO-QMMMGPOBSA-N 1 0 272.805 2.263 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1NCc1cnc(Cl)nc1Cl ZINC000095072292 364332308 /nfs/dbraw/zinc/33/23/08/364332308.db2.gz MAIYHRUBZZNRPA-IUCAKERBSA-N 1 0 275.183 2.143 10 0 CEAERO [NH3+]CC1CCN(Cc2ccc(Br)nc2)CC1 ZINC000095072719 364332423 /nfs/dbraw/zinc/33/24/23/364332423.db2.gz GUJGASLRPXKPHM-UHFFFAOYSA-N 1 0 284.201 2.015 10 0 CEAERO O=[S@](c1nc2ccccc2s1)[C@@H]1CCC[NH2+]C1 ZINC000095073402 364332664 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364544248 /nfs/dbraw/zinc/54/42/48/364544248.db2.gz CTKCSDYLLGSFQU-OAHLLOKOSA-N 1 0 288.391 2.261 10 0 CEAERO C[C@H]1CC[NH2+]C[C@H]1Nc1ccc(Br)cn1 ZINC000335657963 212376395 /nfs/dbraw/zinc/37/63/95/212376395.db2.gz QJZMXJYHYHNZIT-WCBMZHEXSA-N 1 0 270.174 2.254 10 0 CEAERO COC[C@H](C)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000103433225 364653001 /nfs/dbraw/zinc/65/30/01/364653001.db2.gz QLJCEXAWEFSODP-HOTGVXAUSA-N 1 0 296.455 2.239 10 0 CEAERO CC[C@H](OC1CCCC1)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000112905172 364855162 /nfs/dbraw/zinc/85/51/62/364855162.db2.gz VGKNAFWQTHHJLC-ZFWWWQNUSA-N 1 0 282.428 2.325 10 0 CEAERO COC[C@H]1CCC[N@H+](C[C@@](C)(O)c2ccccc2)C1 ZINC000112988552 364862941 /nfs/dbraw/zinc/86/29/41/364862941.db2.gz BAYLJKMUHRXFIJ-GOEBONIOSA-N 1 0 263.381 2.253 10 0 CEAERO CCOc1cccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000113222337 364876524 /nfs/dbraw/zinc/87/65/24/364876524.db2.gz STYDSPJUNSFPJE-ZFWWWQNUSA-N 1 0 288.391 2.394 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cn2ccccc2n1 ZINC000113268608 364882222 /nfs/dbraw/zinc/88/22/22/364882222.db2.gz IYJCPEYXWJKYAA-DZGCQCFKSA-N 1 0 270.380 2.003 10 0 CEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccsc1Cl ZINC000335607280 212319435 /nfs/dbraw/zinc/31/94/35/212319435.db2.gz GRAHLJXXLXUUDG-CBAPKCEASA-N 1 0 258.774 2.158 10 0 CEAERO CC(C)Cc1nsc(N2C[C@H]([NH+](C)C)[C@@H](C)C2)n1 ZINC000302305771 201429614 /nfs/dbraw/zinc/42/96/14/201429614.db2.gz REHBKPIKUZLMQR-QWRGUYRKSA-N 1 0 268.430 2.123 10 0 CEAERO CNC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000114482677 364948148 /nfs/dbraw/zinc/94/81/48/364948148.db2.gz CYMQWEMHFVGXCG-MRXNPFEDSA-N 1 0 298.390 2.497 10 0 CEAERO CCCCc1noc(CN2CC[C@@H](c3cnn(C)c3)C2)n1 ZINC000116314125 365049876 /nfs/dbraw/zinc/04/98/76/365049876.db2.gz UPCNPAHQSFZIQD-GFCCVEGCSA-N 1 0 289.383 2.135 10 0 CEAERO CCCCc1nc(CN2CC[C@@H](c3cnn(C)c3)C2)no1 ZINC000116315243 365050177 /nfs/dbraw/zinc/05/01/77/365050177.db2.gz JCDURKHLEGIKQE-GFCCVEGCSA-N 1 0 289.383 2.135 10 0 CEAERO Cn1cc([C@H]2CC[N@H+](C[C@H](O)c3ccc(F)cc3)C2)cn1 ZINC000116319720 365051500 /nfs/dbraw/zinc/05/15/00/365051500.db2.gz NVGYVPOMCNUDMU-BBRMVZONSA-N 1 0 289.354 2.082 10 0 CEAERO CCC[C@@H](C)CC(=O)N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000117309655 365103297 /nfs/dbraw/zinc/10/32/97/365103297.db2.gz UTRIEHAQUNGPJW-HUUCEWRRSA-N 1 0 284.444 2.382 10 0 CEAERO Cc1csc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)n1 ZINC000117385442 365106576 /nfs/dbraw/zinc/10/65/76/365106576.db2.gz GFVIFTGQTYWSHJ-LBPRGKRZSA-N 1 0 289.408 2.000 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)c2cc3cc(F)ccc3o2)C1 ZINC000117786546 365125844 /nfs/dbraw/zinc/12/58/44/365125844.db2.gz VWSNQNZAQNHFIL-LBPRGKRZSA-N 1 0 276.311 2.348 10 0 CEAERO CCOCC[N@@H+]1CCN(c2nc(C)cc(C)n2)C[C@H]1CC ZINC000116871380 365076370 /nfs/dbraw/zinc/07/63/70/365076370.db2.gz BGPDYCRGQYIPKK-OAHLLOKOSA-N 1 0 292.427 2.031 10 0 CEAERO COCCN1CC[N@H+](C[C@@H](C)c2ccccc2)C[C@H]1C ZINC000116878814 365077783 /nfs/dbraw/zinc/07/77/83/365077783.db2.gz 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CC[NH2+][C@@H]1CCC2(C[C@@H]1Sc1ccccn1)OCCO2 ZINC000081864881 184598231 /nfs/dbraw/zinc/59/82/31/184598231.db2.gz LHOWLSPZXCXYFY-OLZOCXBDSA-N 1 0 294.420 2.447 10 0 CEAERO COc1ccc2[nH]c(S[C@@H](C)[C@H](C)[NH3+])nc2c1 ZINC000081866033 184598737 /nfs/dbraw/zinc/59/87/37/184598737.db2.gz NCZFFZVMKLCKCN-YUMQZZPRSA-N 1 0 251.355 2.399 10 0 CEAERO C[C@@H]1CC[C@](C[NH3+])(OCC(=O)NC2CCCCCC2)C1 ZINC000086724141 184610303 /nfs/dbraw/zinc/61/03/03/184610303.db2.gz GJDMZDXKIDRPBU-CJNGLKHVSA-N 1 0 282.428 2.360 10 0 CEAERO CCCCN(CC)S(=O)(=O)c1ccc(CCC[NH3+])cc1 ZINC000088916097 184614067 /nfs/dbraw/zinc/61/40/67/184614067.db2.gz CYGAOPYCNVTOFT-UHFFFAOYSA-N 1 0 298.452 2.389 10 0 CEAERO CC[C@H](C)N(C)S(=O)(=O)c1cc(C[NH2+]C)cc(C)c1C ZINC000088949048 184614862 /nfs/dbraw/zinc/61/48/62/184614862.db2.gz IIRUOJUWWWZJGY-LBPRGKRZSA-N 1 0 298.452 2.442 10 0 CEAERO CC1(C)[C@H]2C[NH2+]C[C@@H]2CN1C(=O)Cc1ccc(Cl)cc1 ZINC000090335604 184616262 /nfs/dbraw/zinc/61/62/62/184616262.db2.gz LVXGRXVDCIWCAW-OCCSQVGLSA-N 1 0 292.810 2.339 10 0 CEAERO CC1(C)C(CNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)C1(C)C ZINC000092818017 184628329 /nfs/dbraw/zinc/62/83/29/184628329.db2.gz XAHYTISSNZZZBJ-ZDUSSCGKSA-N 1 0 292.345 2.327 10 0 CEAERO COCC[NH2+]C[C@H]1CCO[C@H]1c1ccccc1F ZINC000092882547 184633497 /nfs/dbraw/zinc/63/34/97/184633497.db2.gz BOEGFXBACYKGBW-BXUZGUMPSA-N 1 0 253.317 2.139 10 0 CEAERO CCOCC[NH2+][C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000093205899 184655374 /nfs/dbraw/zinc/65/53/74/184655374.db2.gz FICUJJJLWILYIX-NWDGAFQWSA-N 1 0 272.389 2.058 10 0 CEAERO COC(=O)[C@H](C)[C@H](C)[NH+]1CCC(C(F)(F)F)CC1 ZINC000093037329 184644330 /nfs/dbraw/zinc/64/43/30/184644330.db2.gz MJSCMAONPVWBGH-BDAKNGLRSA-N 1 0 267.291 2.458 10 0 CEAERO C[NH2+]Cc1c[nH]nc1-c1cc(OC)c(OC)cc1C ZINC000093295725 184661654 /nfs/dbraw/zinc/66/16/54/184661654.db2.gz RSJJXYOKSUBAAQ-UHFFFAOYSA-N 1 0 261.325 2.122 10 0 CEAERO COc1ccc(NC(=O)O[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000093220400 184656612 /nfs/dbraw/zinc/65/66/12/184656612.db2.gz NCZQVXQEDYMEKU-SKDRFNHKSA-N 1 0 250.298 2.124 10 0 CEAERO NC(=O)c1cc(Cl)ccc1O[C@H]1CCC[C@@H]([NH3+])C1 ZINC000093219476 184656737 /nfs/dbraw/zinc/65/67/37/184656737.db2.gz HNWIVGPRWYQMBS-ZJUUUORDSA-N 1 0 268.744 2.088 10 0 CEAERO NC(=O)c1ccc(O[C@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000093219674 184656788 /nfs/dbraw/zinc/65/67/88/184656788.db2.gz SVDOZLIPOLQUBN-IUCAKERBSA-N 1 0 268.744 2.088 10 0 CEAERO C[NH2+]CC1CCN(C(=O)N[C@H]2CC[C@H](C)CC2)CC1 ZINC000335262321 208051623 /nfs/dbraw/zinc/05/16/23/208051623.db2.gz UKPKWWSAGYBLCR-MQMHXKEQSA-N 1 0 267.417 2.206 10 0 CEAERO COCCOCCC[NH2+][C@H]1C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21 ZINC000216405542 285091297 /nfs/dbraw/zinc/09/12/97/285091297.db2.gz AKHZHNUJGVHGOZ-JKJDWNRSSA-N 1 0 267.413 2.454 10 0 CEAERO O=C1NCCC[C@H]1C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000335145833 296370174 /nfs/dbraw/zinc/37/01/74/296370174.db2.gz FQUSQRMGPYLGLN-HOCLYGCPSA-N 1 0 262.397 2.335 10 0 CEAERO C[NH+]1CCC(O)(c2cccc(Br)c2)CC1 ZINC000199774830 542369063 /nfs/dbraw/zinc/36/90/63/542369063.db2.gz LZPJXGUWERISDQ-UHFFFAOYSA-N 1 0 270.170 2.362 10 0 CEAERO COC(=O)c1ccc(C[NH2+]CC2C[C@@H](C)O[C@H](C)C2)[nH]1 ZINC000281192327 195142904 /nfs/dbraw/zinc/14/29/04/195142904.db2.gz ILMAOIZBUCITKZ-GHMZBOCLSA-N 1 0 280.368 2.095 10 0 CEAERO C[C@@H](C[C@@H]1CCCC[NH2+]1)Nc1ccc2oc(=O)[nH]c2c1 ZINC000093485810 184682758 /nfs/dbraw/zinc/68/27/58/184682758.db2.gz SGLOQOONEMJFMA-QWRGUYRKSA-N 1 0 275.352 2.454 10 0 CEAERO COc1ccc([C@H]2CNC(=[NH2+])N2C(C)C)cc1Cl ZINC000093374480 184667984 /nfs/dbraw/zinc/66/79/84/184667984.db2.gz HWAJHXLWOJIHOO-LLVKDONJSA-N 1 0 267.760 2.428 10 0 CEAERO COc1ccccc1N1C(=[NH2+])NC[C@]1(C)c1cccnc1 ZINC000093388874 184670004 /nfs/dbraw/zinc/67/00/04/184670004.db2.gz SFKYRBPHIGABFP-MRXNPFEDSA-N 1 0 282.347 2.140 10 0 CEAERO COc1ccc([C@]2(C)CNC(=[NH2+])N2C2CCCC2)cc1 ZINC000093391476 184670593 /nfs/dbraw/zinc/67/05/93/184670593.db2.gz SWPHNCRUZQAWND-INIZCTEOSA-N 1 0 273.380 2.483 10 0 CEAERO CC[C@H]1C[N@H+](C[C@H](O)COCc2ccccc2)CCCO1 ZINC000281277696 195177451 /nfs/dbraw/zinc/17/74/51/195177451.db2.gz GEZPPSYRFTXGST-IRXDYDNUSA-N 1 0 293.407 2.065 10 0 CEAERO COc1cccc(S(=O)(=O)CCC[NH2+]C(C)(C)C)c1 ZINC000081923494 177896726 /nfs/dbraw/zinc/89/67/26/177896726.db2.gz MLJJDMPVEPHUHV-UHFFFAOYSA-N 1 0 285.409 2.247 10 0 CEAERO CCC[C@H](CS(=O)(=O)c1ccc(F)cc1)[NH2+]CC ZINC000081921395 177895269 /nfs/dbraw/zinc/89/52/69/177895269.db2.gz CZULMZGLLZCTOU-GFCCVEGCSA-N 1 0 273.373 2.378 10 0 CEAERO C[NH2+][C@H](C)CCS(=O)(=O)c1ccc(C)c(C)c1 ZINC000081922013 177895129 /nfs/dbraw/zinc/89/51/29/177895129.db2.gz YARRTVOCQAZVGJ-GFCCVEGCSA-N 1 0 255.383 2.075 10 0 CEAERO CCC[NH2+][C@@H](C)[C@H](C)Sc1n[nH]c(=O)n1C(C)C ZINC000081879416 177873451 /nfs/dbraw/zinc/87/34/51/177873451.db2.gz LLZAQJPCNLHFBV-UWVGGRQHSA-N 1 0 272.418 2.021 10 0 CEAERO CC[NH2+][C@H]1CCCC[C@H]1Sc1ncnc2[nH]cnc21 ZINC000081876572 177871336 /nfs/dbraw/zinc/87/13/36/177871336.db2.gz OTCXWDHZFWXDIB-VHSXEESVSA-N 1 0 277.397 2.366 10 0 CEAERO Cc1csc(S[C@H]2CC3(CC[C@H]2[NH3+])OCCO3)n1 ZINC000081870359 177869953 /nfs/dbraw/zinc/86/99/53/177869953.db2.gz JXYACMRWIHFRTG-ZJUUUORDSA-N 1 0 286.422 2.167 10 0 CEAERO CCC[NH2+][C@@H]1CCC[C@@H]1Sc1nc(C)cc(=O)[nH]1 ZINC000081868639 177868925 /nfs/dbraw/zinc/86/89/25/177868925.db2.gz NBGDXWVFKHFLEF-MNOVXSKESA-N 1 0 267.398 2.091 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2CCC[C@@H]1SCCO ZINC000081798166 177863147 /nfs/dbraw/zinc/86/31/47/177863147.db2.gz BWUMFGGTKASHHK-UONOGXRCSA-N 1 0 251.395 2.378 10 0 CEAERO COCC[C@H](C)NC(=O)Nc1cccc([C@H](C)[NH3+])c1 ZINC000081734914 177846125 /nfs/dbraw/zinc/84/61/25/177846125.db2.gz ZAZNMFWCOBQUNX-QWRGUYRKSA-N 1 0 265.357 2.253 10 0 CEAERO CCC[C@@H]1CC[C@H]([NH3+])[C@H](SCCS(C)(=O)=O)C1 ZINC000081769035 177855855 /nfs/dbraw/zinc/85/58/55/177855855.db2.gz YCEFVDHRVWLDDM-GRYCIOLGSA-N 1 0 279.471 2.060 10 0 CEAERO CC(C)c1nc2cc(NC(=O)CC3C[NH2+]C3)ccc2o1 ZINC000081748508 177853475 /nfs/dbraw/zinc/85/34/75/177853475.db2.gz UPAWCEYWLAVYIU-UHFFFAOYSA-N 1 0 273.336 2.499 10 0 CEAERO CCC[C@H]1C[C@@H]([NH2+]CCCC(=O)OCC)CCO1 ZINC000081544746 177814665 /nfs/dbraw/zinc/81/46/65/177814665.db2.gz XJBLIASNQFLHOY-STQMWFEESA-N 1 0 257.374 2.267 10 0 CEAERO CCC[NH2+][C@H](CCC)[C@H](CC)N1CCn2cnnc2C1 ZINC000081534184 177810488 /nfs/dbraw/zinc/81/04/88/177810488.db2.gz GMWRPGWMJYXDMD-KGLIPLIRSA-N 1 0 279.432 2.041 10 0 CEAERO COc1ccccc1C[C@H](C)NC(=O)[C@H]1CCCCC[NH2+]1 ZINC000080995663 177751027 /nfs/dbraw/zinc/75/10/27/177751027.db2.gz LGJXJQQCBNIBKJ-DZGCQCFKSA-N 1 0 290.407 2.275 10 0 CEAERO C[NH2+][C@H](C)Cc1nc(Cc2ccc(F)cc2F)no1 ZINC000080986016 177744599 /nfs/dbraw/zinc/74/45/99/177744599.db2.gz BKIMSLWCOMFPQI-MRVPVSSYSA-N 1 0 267.279 2.089 10 0 CEAERO C[C@@H]([NH2+]CCCc1nnc[nH]1)c1cc(F)ccc1F ZINC000080567637 177670825 /nfs/dbraw/zinc/67/08/25/177670825.db2.gz YSOUGBVSFAUXCR-SECBINFHSA-N 1 0 266.295 2.366 10 0 CEAERO C[C@H]1CC[C@@H]([NH2+][C@@H]2CCCc3c2cnn3CCO)C1 ZINC000080456852 177653323 /nfs/dbraw/zinc/65/33/23/177653323.db2.gz XUISYSRADWGFNX-OUCADQQQSA-N 1 0 263.385 2.031 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N[C@@H](C)c1nc(C)cs1 ZINC000080271823 177634561 /nfs/dbraw/zinc/63/45/61/177634561.db2.gz VBKCAAQASFKSEA-VIFPVBQESA-N 1 0 255.387 2.017 10 0 CEAERO NC(=O)[C@@]1([NH2+]C2CC2)CC[C@H](OCC2CCCCC2)C1 ZINC000093847298 184732081 /nfs/dbraw/zinc/73/20/81/184732081.db2.gz WSQYRUHKOCXCJW-GOEBONIOSA-N 1 0 280.412 2.112 10 0 CEAERO CC[NH2+][C@@H](COC)C1(c2ccccc2)CCOCC1 ZINC000093540155 184689141 /nfs/dbraw/zinc/68/91/41/184689141.db2.gz ZXXPAGWQHKCRGY-HNNXBMFYSA-N 1 0 263.381 2.359 10 0 CEAERO CCC[NH2+][C@]1(C(=O)[O-])CCC[C@@H]1CC[NH+]1CCCCC1 ZINC000093584492 184693231 /nfs/dbraw/zinc/69/32/31/184693231.db2.gz KGECXYAZCBVEEY-GDBMZVCRSA-N 1 0 282.428 2.486 10 0 CEAERO COC(=O)[C@@]1([NH3+])CCC[C@H]1CCn1cnc2ccccc21 ZINC000093597279 184694632 /nfs/dbraw/zinc/69/46/32/184694632.db2.gz FQLBEBDFARQOLW-BLLLJJGKSA-N 1 0 287.363 2.097 10 0 CEAERO [NH3+][C@@]1(CO)CCC[C@@H]1CCOc1ccc2c(c1)CCC2 ZINC000093620660 184697159 /nfs/dbraw/zinc/69/71/59/184697159.db2.gz KKNCGWAAACHEDG-NVXWUHKLSA-N 1 0 275.392 2.434 10 0 CEAERO C[NH2+][C@H]1CCC[C@H]1CCS(=O)(=O)c1ccccc1F ZINC000093622954 184697545 /nfs/dbraw/zinc/69/75/45/184697545.db2.gz JCMZGYPTBMAJMV-AAEUAGOBSA-N 1 0 285.384 2.378 10 0 CEAERO CC[NH2+][C@H]1CCC[C@H]1CCS(=O)(=O)C(C)(C)C ZINC000093623102 184697718 /nfs/dbraw/zinc/69/77/18/184697718.db2.gz OFZAVUKLQKVOKI-RYUDHWBXSA-N 1 0 261.431 2.368 10 0 CEAERO COCCSCC[C@H]1CCC[C@@]1(CO)[NH2+]C(C)C ZINC000093623399 184697772 /nfs/dbraw/zinc/69/77/72/184697772.db2.gz LASOSTWHADWREU-KGLIPLIRSA-N 1 0 275.458 2.285 10 0 CEAERO CCC[NH2+][C@H]1CCC[C@H]1CCS(=O)(=O)CCC ZINC000093623426 184697988 /nfs/dbraw/zinc/69/79/88/184697988.db2.gz MVVIXVNSFCQPGM-STQMWFEESA-N 1 0 261.431 2.370 10 0 CEAERO [NH3+]C[C@@]1(O)CCC[C@@H]1CCOc1ccc(F)cc1F ZINC000093627866 184698671 /nfs/dbraw/zinc/69/86/71/184698671.db2.gz CTFODRRLYCPFGY-YGRLFVJLSA-N 1 0 271.307 2.224 10 0 CEAERO Cc1c([C@H]2OCCC[C@H]2C[NH2+]C(C)C)cnn1C ZINC000093653207 184702428 /nfs/dbraw/zinc/70/24/28/184702428.db2.gz REBUHNAJXBHRLM-JSGCOSHPSA-N 1 0 251.374 2.194 10 0 CEAERO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1ccccc1CO ZINC000093677098 184704627 /nfs/dbraw/zinc/70/46/27/184704627.db2.gz FQXITTSEXRYGTE-QXMXGUDHSA-N 1 0 274.364 2.038 10 0 CEAERO CCn1c(C)cc(C[NH2+]C[C@H]2CCC[C@H]2O)c1C ZINC000093695632 184707241 /nfs/dbraw/zinc/70/72/41/184707241.db2.gz PMOXVUCMUTZKNK-UKRRQHHQSA-N 1 0 250.386 2.375 10 0 CEAERO CCC[C@@H](CCC[C@@H]1CCCN(S(C)(=O)=O)C1)[NH2+]C ZINC000093702235 184707922 /nfs/dbraw/zinc/70/79/22/184707922.db2.gz XZCSZOUZMRBQMI-KGLIPLIRSA-N 1 0 290.473 2.216 10 0 CEAERO CCC[NH+](CCC)[C@@H]1CCC[C@@]([NH2+]C)(C(=O)[O-])C1 ZINC000093749188 184712628 /nfs/dbraw/zinc/71/26/28/184712628.db2.gz QHMWZKPFOQBYIO-OCCSQVGLSA-N 1 0 256.390 2.094 10 0 CEAERO CO[C@H](C(=O)NC1C(C)(C)C([NH3+])C1(C)C)c1ccccc1 ZINC000094006107 184748891 /nfs/dbraw/zinc/74/88/91/184748891.db2.gz IQNHJBNPIQSPOX-GRTSSRMGSA-N 1 0 290.407 2.252 10 0 CEAERO O=C([C@H]1Cc2ccccc21)N(CC1CC[NH2+]CC1)C1CC1 ZINC000094023289 184750940 /nfs/dbraw/zinc/75/09/40/184750940.db2.gz GHKGIYYUFDIKPT-KRWDZBQOSA-N 1 0 284.403 2.317 10 0 CEAERO CC(C)N(CC1CC[NH2+]CC1)C(=O)c1ccncc1F ZINC000094023138 184751035 /nfs/dbraw/zinc/75/10/35/184751035.db2.gz FWMXWRXFLHDSNE-UHFFFAOYSA-N 1 0 279.359 2.071 10 0 CEAERO O=C(NC1CCCCC1)N(CC1CC[NH2+]CC1)C1CC1 ZINC000094023654 184751109 /nfs/dbraw/zinc/75/11/09/184751109.db2.gz GWKAKWXMCQQLCT-UHFFFAOYSA-N 1 0 279.428 2.493 10 0 CEAERO Cc1ccc(C(=O)N(CC2CC[NH2+]CC2)C(C)C)cn1 ZINC000094023086 184751139 /nfs/dbraw/zinc/75/11/39/184751139.db2.gz OEVWCUIHOLFXAI-UHFFFAOYSA-N 1 0 275.396 2.240 10 0 CEAERO CC[NH2+][C@@H](C)CCc1nc(-c2ccc(F)cn2)no1 ZINC000094051271 184752446 /nfs/dbraw/zinc/75/24/46/184752446.db2.gz CHKWUSJSIFDQBK-VIFPVBQESA-N 1 0 264.304 2.201 10 0 CEAERO CCc1ccc(C[C@@H](O)[C@@](C)(CC)[NH+](C)C)nc1 ZINC000094115142 184756125 /nfs/dbraw/zinc/75/61/25/184756125.db2.gz FEPMHPFVLAHNPC-HUUCEWRRSA-N 1 0 250.386 2.278 10 0 CEAERO C[NH2+][C@H](Cc1nc2ccccc2o1)[C@H]1CCO[C@@H]1C ZINC000094178668 184760001 /nfs/dbraw/zinc/76/00/01/184760001.db2.gz YJVKUFHXTKTDFF-NTZNESFSSA-N 1 0 260.337 2.383 10 0 CEAERO CCNc1ncc(C[N@H+](CC)[C@H](C)COC)s1 ZINC000094192676 184761192 /nfs/dbraw/zinc/76/11/92/184761192.db2.gz IKXZHSPEPNLVLP-SNVBAGLBSA-N 1 0 257.403 2.432 10 0 CEAERO CCC[NH2+]Cc1ccc(OCC(C)(C)C(=O)OC)cn1 ZINC000094210216 184763413 /nfs/dbraw/zinc/76/34/13/184763413.db2.gz VFVLYFHTEQBRIR-UHFFFAOYSA-N 1 0 280.368 2.159 10 0 CEAERO CC[C@@](C)([NH3+])C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000094234683 184767425 /nfs/dbraw/zinc/76/74/25/184767425.db2.gz GFQXOOLPJDKLOG-CYBMUJFWSA-N 1 0 254.761 2.426 10 0 CEAERO CCc1nc(CC)n([C@@H]2CCC(C)(C)[C@@H]2[NH2+]C)n1 ZINC000094307497 184778479 /nfs/dbraw/zinc/77/84/79/184778479.db2.gz RTTNUYMPQZJUBJ-ZWNOBZJWSA-N 1 0 250.390 2.352 10 0 CEAERO C[NH2+][C@@H]1[C@H](Sc2nnc(N(C)C)s2)CCC1(C)C ZINC000094312501 184778890 /nfs/dbraw/zinc/77/88/90/184778890.db2.gz YUNJQJWQAPCDOJ-RKDXNWHRSA-N 1 0 286.470 2.473 10 0 CEAERO CC[NH2+][C@@H]1[C@H](S(=O)(=O)CC(C)C)CCC1(C)C ZINC000094311157 184778918 /nfs/dbraw/zinc/77/89/18/184778918.db2.gz CHXQIYAIDCOEAZ-VXGBXAGGSA-N 1 0 261.431 2.224 10 0 CEAERO [NH3+]CCc1cc(F)c(OC[C@@H]2CCCCO2)c(F)c1 ZINC000094349860 184786897 /nfs/dbraw/zinc/78/68/97/184786897.db2.gz PGJGQMYASJWVLD-NSHDSACASA-N 1 0 271.307 2.414 10 0 CEAERO Fc1ccc(CC[NH2+][C@H]2CCO[C@]3(CCOC3)C2)cc1 ZINC000094365231 184789561 /nfs/dbraw/zinc/78/95/61/184789561.db2.gz ZAFYYRCLBUCYGJ-JKSUJKDBSA-N 1 0 279.355 2.296 10 0 CEAERO CCCNC(=O)[C@H](C)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000094369817 184790080 /nfs/dbraw/zinc/79/00/80/184790080.db2.gz BHLIJNMUDBVCFM-UONOGXRCSA-N 1 0 282.428 2.373 10 0 CEAERO CC[NH2+]Cc1cn([C@@H]2CCOC3(CCOCC3)C2)nc1C ZINC000094414624 184794430 /nfs/dbraw/zinc/79/44/30/184794430.db2.gz NUDXSJWFEVKOMY-OAHLLOKOSA-N 1 0 293.411 2.202 10 0 CEAERO C1C[C@@H]([C@@H]2CCCCC[NH2+]2)CC2(CCOCC2)O1 ZINC000094413931 184794453 /nfs/dbraw/zinc/79/44/53/184794453.db2.gz ZMUPIJHJNOVPRU-KGLIPLIRSA-N 1 0 253.386 2.494 10 0 CEAERO CC(C)C1(O)C[NH+]([C@@H]2CCOC3(CCSCC3)C2)C1 ZINC000094411150 184794561 /nfs/dbraw/zinc/79/45/61/184794561.db2.gz XBIYHVYYXWVIRO-CYBMUJFWSA-N 1 0 285.453 2.134 10 0 CEAERO CC(C)C[C@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)C(=O)N(C)C ZINC000094423055 184795645 /nfs/dbraw/zinc/79/56/45/184795645.db2.gz ADOUMCGOUBPGNZ-STQMWFEESA-N 1 0 284.444 2.425 10 0 CEAERO [NH3+][C@H]1CCCCC[C@H]1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000094749431 184852322 /nfs/dbraw/zinc/85/23/22/184852322.db2.gz ZYIQCQQEUZQYJI-OLZOCXBDSA-N 1 0 290.363 2.304 10 0 CEAERO C[NH2+][C@H](C)[C@@H](c1nc([C@@]2(C)CCCO2)no1)C(C)C ZINC000094785999 184863668 /nfs/dbraw/zinc/86/36/68/184863668.db2.gz GHPKAOLDMUZDMP-UHIISALHSA-N 1 0 267.373 2.443 10 0 CEAERO C[NH2+][C@@H](CCN1CCOC[C@@H]1C)c1cc(F)cc(F)c1 ZINC000094830221 184875864 /nfs/dbraw/zinc/87/58/64/184875864.db2.gz YIIJMYBKHOYNNX-NHYWBVRUSA-N 1 0 284.350 2.336 10 0 CEAERO COc1ccccc1CN(C)[C@]1(C[NH3+])CS[C@@H](C)C1 ZINC000094473409 184807231 /nfs/dbraw/zinc/80/72/31/184807231.db2.gz JHQCNQNILWWMMM-SWLSCSKDSA-N 1 0 280.437 2.350 10 0 CEAERO CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CSCC(C)(C)C1 ZINC000094488431 184809444 /nfs/dbraw/zinc/80/94/44/184809444.db2.gz QNWUMAAESNKVOR-RYUDHWBXSA-N 1 0 272.458 2.413 10 0 CEAERO CCC[NH2+][C@@H](Cc1cc(C)nn1CC)[C@@H]1CSCCO1 ZINC000094504801 184811635 /nfs/dbraw/zinc/81/16/35/184811635.db2.gz URNZGTXXPYQAKS-GJZGRUSLSA-N 1 0 297.468 2.254 10 0 CEAERO C[NH2+]CCc1cn(Cc2c(F)cccc2Cl)cn1 ZINC000094529746 184814583 /nfs/dbraw/zinc/81/45/83/184814583.db2.gz PCLBUVULTAUKEA-UHFFFAOYSA-N 1 0 267.735 2.486 10 0 CEAERO C[C@H]1C[C@@H]([NH3+])CN(C(=O)c2cc3ccccc3o2)C1 ZINC000094549733 184816340 /nfs/dbraw/zinc/81/63/40/184816340.db2.gz ITZXBQIZYSEOLW-CMPLNLGQSA-N 1 0 258.321 2.242 10 0 CEAERO C[C@@H]1C[C@H]([NH3+])CN(Cc2noc(-c3ccc(F)cc3)n2)C1 ZINC000094552581 184816414 /nfs/dbraw/zinc/81/64/14/184816414.db2.gz FLBNEDAZLMTEJW-MFKMUULPSA-N 1 0 290.342 2.045 10 0 CEAERO C[C@@H]1C[C@@H]([NH3+])CN(Cc2nc3ccccc3s2)C1 ZINC000094552859 184816477 /nfs/dbraw/zinc/81/64/77/184816477.db2.gz UACBHQWXXIXYOV-GHMZBOCLSA-N 1 0 261.394 2.465 10 0 CEAERO [NH3+]C[C@H]1CC[C@@H](c2nc(C3Cc4ccccc4C3)no2)O1 ZINC000094561185 184818746 /nfs/dbraw/zinc/81/87/46/184818746.db2.gz XKZRKUAVJHNLFH-KGLIPLIRSA-N 1 0 285.347 2.131 10 0 CEAERO Cc1cccn2nc(N[C@@H]3CCCCC[C@@H]3[NH3+])nc12 ZINC000094608036 184825836 /nfs/dbraw/zinc/82/58/36/184825836.db2.gz MCCNXBOFDZKBMD-NWDGAFQWSA-N 1 0 259.357 2.110 10 0 CEAERO C[NH2+][C@@H](C)c1cc(F)ccc1O[C@H](C)C(=O)NC(C)C ZINC000094619081 184827024 /nfs/dbraw/zinc/82/70/24/184827024.db2.gz DTQQSHHDPANQDQ-WDEREUQCSA-N 1 0 282.359 2.398 10 0 CEAERO CCc1ccc(C[C@H]([NH3+])Cc2ccc(OC)nc2)nc1 ZINC000094632181 184829538 /nfs/dbraw/zinc/82/95/38/184829538.db2.gz URDJHRLPYPCZFF-CQSZACIVSA-N 1 0 271.364 2.160 10 0 CEAERO C[NH2+]Cc1ccc(O[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000094634436 184830604 /nfs/dbraw/zinc/83/06/04/184830604.db2.gz WZGXEUVZIDVNLN-HUUCEWRRSA-N 1 0 297.420 2.141 10 0 CEAERO CC(C)C[C@@H](C[NH3+])C(=O)NCc1cccc(F)c1 ZINC000094697025 184841497 /nfs/dbraw/zinc/84/14/97/184841497.db2.gz FBDATINGLQDEFL-LBPRGKRZSA-N 1 0 252.333 2.063 10 0 CEAERO Cc1noc(C)c1[C@@H](C)NC(=O)[C@@H](C[NH3+])CC(C)C ZINC000094700982 184842302 /nfs/dbraw/zinc/84/23/02/184842302.db2.gz SFYFAGUKPXGWCY-BXKDBHETSA-N 1 0 267.373 2.090 10 0 CEAERO CC(C)C[C@@H](C[NH3+])C(=O)NCC1(O)CCC(C)(C)CC1 ZINC000094700712 184842706 /nfs/dbraw/zinc/84/27/06/184842706.db2.gz CNJGZTWRPJGZCW-ZDUSSCGKSA-N 1 0 284.444 2.055 10 0 CEAERO CC[NH+]1CCC(C[NH2+]Cc2cc(C(=O)[O-])cs2)CC1 ZINC000095005180 184913779 /nfs/dbraw/zinc/91/37/79/184913779.db2.gz ABECMHFDZSNEGH-UHFFFAOYSA-N 1 0 282.409 2.268 10 0 CEAERO COc1ncccc1COC[C@H]1CCCC[C@@H]1C[NH3+] ZINC000095008965 184914281 /nfs/dbraw/zinc/91/42/81/184914281.db2.gz TYVZFFNIIYTOHK-CHWSQXEVSA-N 1 0 264.369 2.372 10 0 CEAERO COc1ccc(CC[NH3+])cc1OCc1cccnc1OC ZINC000095009876 184914406 /nfs/dbraw/zinc/91/44/06/184914406.db2.gz XSZBEEAFLUPEIC-UHFFFAOYSA-N 1 0 288.347 2.179 10 0 CEAERO Cc1c(N)cccc1NC(=O)[C@@H](C)SCC[NH+](C)C ZINC000095020203 184917257 /nfs/dbraw/zinc/91/72/57/184917257.db2.gz UUKNFZWRCMFCTR-LLVKDONJSA-N 1 0 281.425 2.199 10 0 CEAERO COC[C@@H](C)CC(=O)N(CCC[NH3+])c1ccccc1 ZINC000095033438 184919585 /nfs/dbraw/zinc/91/95/85/184919585.db2.gz YYRILGDHHGRYRT-ZDUSSCGKSA-N 1 0 264.369 2.041 10 0 CEAERO CCOCCCC(=O)N(CCC[NH3+])c1cccc(C)c1 ZINC000095033453 184920125 /nfs/dbraw/zinc/92/01/25/184920125.db2.gz PPSMXHDUPBWNAW-UHFFFAOYSA-N 1 0 278.396 2.494 10 0 CEAERO [NH3+][C@@H](Cc1c(F)cccc1F)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000095048706 184924729 /nfs/dbraw/zinc/92/47/29/184924729.db2.gz GNSFRCMWCVRUGL-LBPRGKRZSA-N 1 0 289.285 2.377 10 0 CEAERO CC[NH2+][C@@H]1COC[C@H]1C(=O)N(C)C1CCC(C)(C)CC1 ZINC000094858702 184882669 /nfs/dbraw/zinc/88/26/69/184882669.db2.gz AOLUCBWLPXZTEI-ZIAGYGMSSA-N 1 0 282.428 2.038 10 0 CEAERO CC[NH2+][C@@H]1CCCN(Cc2sccc2CC)C1=O ZINC000094884868 184887288 /nfs/dbraw/zinc/88/72/88/184887288.db2.gz JSZHOCYFGDXITQ-GFCCVEGCSA-N 1 0 266.410 2.411 10 0 CEAERO CCCN(C(=O)NC1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000094890444 184888472 /nfs/dbraw/zinc/88/84/72/184888472.db2.gz RDNOYCZZFHPACV-ZDUSSCGKSA-N 1 0 253.390 2.103 10 0 CEAERO Cc1ccc(C(=O)N[C@H](C)[C@@H]2CCCC[NH2+]2)c(F)c1 ZINC000094915518 184892955 /nfs/dbraw/zinc/89/29/55/184892955.db2.gz KFPQNMXOCGYQPH-RISCZKNCSA-N 1 0 264.344 2.395 10 0 CEAERO CC[NH2+][C@@H]1CCCCC[C@@H]1c1nc(-c2ncc[nH]2)no1 ZINC000094940786 184898581 /nfs/dbraw/zinc/89/85/81/184898581.db2.gz QWZXBCUAHLOQPA-WDEREUQCSA-N 1 0 275.356 2.486 10 0 CEAERO Cc1cc(F)ccc1CC[NH2+]CC(=O)N(C)C(C)C ZINC000094954847 184902333 /nfs/dbraw/zinc/90/23/33/184902333.db2.gz YIOBRIJGPUIZEM-UHFFFAOYSA-N 1 0 266.360 2.133 10 0 CEAERO COc1cccc(N2C(N)=[NH+]C[C@@]2(C)C2(C)CC2)c1 ZINC000094955350 184902850 /nfs/dbraw/zinc/90/28/50/184902850.db2.gz KRPFFRWCFAZAKV-HNNXBMFYSA-N 1 0 259.353 2.389 10 0 CEAERO C[C@@](O)(C1(C)CC1)[C@]1(C[NH3+])COc2ccccc2C1 ZINC000094955087 184902875 /nfs/dbraw/zinc/90/28/75/184902875.db2.gz JRIBMYVXGSMOLQ-HZPDHXFCSA-N 1 0 261.365 2.118 10 0 CEAERO CCC[NH2+][C@@H]1CCN(CCc2ccc(F)cc2C)C1=O ZINC000094960539 184906249 /nfs/dbraw/zinc/90/62/49/184906249.db2.gz QLJBGGUVIJJHRE-OAHLLOKOSA-N 1 0 278.371 2.277 10 0 CEAERO CC(C)CNC(=O)[C@H](C)[NH2+][C@H]1CCc2c1cccc2O ZINC000228977845 130878051 /nfs/dbraw/zinc/87/80/51/130878051.db2.gz CWIVMHUIPXZHRT-FZMZJTMJSA-N 1 0 276.380 2.130 10 0 CEAERO NC(=S)CC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000037296259 134838618 /nfs/dbraw/zinc/83/86/18/134838618.db2.gz PJQWVULRZFEFGM-UHFFFAOYSA-N 1 0 283.828 2.138 10 0 CEAERO O=C1CCc2ccccc2N1CC[C@@H]1CCCC[NH2+]1 ZINC000041671225 134884191 /nfs/dbraw/zinc/88/41/91/134884191.db2.gz JZMKHDJFESULJZ-AWEZNQCLSA-N 1 0 258.365 2.498 10 0 CEAERO CC[NH2+]CCCN1C(=O)CCc2cc(F)ccc21 ZINC000042410403 134889795 /nfs/dbraw/zinc/88/97/95/134889795.db2.gz LUYLPHUNMMOLQP-UHFFFAOYSA-N 1 0 250.317 2.105 10 0 CEAERO C[NH2+][C@H]1CCOC[C@H]1N1CCCc2cc(C)ccc21 ZINC000043817930 134907219 /nfs/dbraw/zinc/90/72/19/134907219.db2.gz NMBNUTKOEVBTBG-GOEBONIOSA-N 1 0 260.381 2.125 10 0 CEAERO CCOc1cncc(N2CCCC[C@H]2C[NH2+]C(C)C)n1 ZINC000071176894 134959869 /nfs/dbraw/zinc/95/98/69/134959869.db2.gz QCTPNOYBXUUXPZ-ZDUSSCGKSA-N 1 0 278.400 2.232 10 0 CEAERO CCOc1cncc(N2CCC(C[NH2+]C(C)C)CC2)n1 ZINC000071176786 134960050 /nfs/dbraw/zinc/96/00/50/134960050.db2.gz YKMDVSOXGBVBAZ-UHFFFAOYSA-N 1 0 278.400 2.090 10 0 CEAERO CC[NH2+][C@@H](CO)CCN1CCCc2cc(C)ccc21 ZINC000085216434 135035677 /nfs/dbraw/zinc/03/56/77/135035677.db2.gz BBQPSNAEAYZSLF-OAHLLOKOSA-N 1 0 262.397 2.108 10 0 CEAERO CC[NH2+][C@@H](CCO)CN1CCCc2cc(C)ccc21 ZINC000085921630 135038437 /nfs/dbraw/zinc/03/84/37/135038437.db2.gz BWKBLSUBFZFXEM-HNNXBMFYSA-N 1 0 262.397 2.108 10 0 CEAERO C[N@@H+]1CCC[C@@H](Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000086817354 135048439 /nfs/dbraw/zinc/04/84/39/135048439.db2.gz AAWRWBPOZAHMQZ-OAHLLOKOSA-N 1 0 289.423 2.419 10 0 CEAERO Cc1ccc(C(N)=[NH2+])c(N2CCC[C@H](C(F)(F)F)C2)n1 ZINC000088421408 135054584 /nfs/dbraw/zinc/05/45/84/135054584.db2.gz ZVKUDMOALDMILF-VIFPVBQESA-N 1 0 286.301 2.453 10 0 CEAERO CC[NH2+]C[C@H](C)S(=O)(=O)N1c2ccccc2CC[C@@H]1C ZINC000088914936 135057626 /nfs/dbraw/zinc/05/76/26/135057626.db2.gz BRKVEFLAEAPNPL-STQMWFEESA-N 1 0 296.436 2.156 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1Nc1ccccc1N1CCOCC1 ZINC000089142851 135058353 /nfs/dbraw/zinc/05/83/53/135058353.db2.gz HBVJDPYOLUOMFI-GJZGRUSLSA-N 1 0 289.423 2.453 10 0 CEAERO CC[NH2+][C@@H]1COC[C@@H]1CN1c2ccccc2CC[C@@H]1C ZINC000090493438 135062834 /nfs/dbraw/zinc/06/28/34/135062834.db2.gz ZYCABHDXOGYZSR-CWRNSKLLSA-N 1 0 274.408 2.452 10 0 CEAERO CCOc1ncnc(N2C[C@@H](CC)[NH2+]C[C@@H]2CC)c1C ZINC000090789682 135065593 /nfs/dbraw/zinc/06/55/93/135065593.db2.gz KZTKMCGUGGICKF-OLZOCXBDSA-N 1 0 278.400 2.151 10 0 CEAERO CCC[NH2+]C[C@@H]1CCCCN1c1ncnc(OC)c1C ZINC000090789050 135065652 /nfs/dbraw/zinc/06/56/52/135065652.db2.gz CNWOASGKJAXXRA-ZDUSSCGKSA-N 1 0 278.400 2.152 10 0 CEAERO C[C@@H]([NH3+])c1c(F)cccc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090906391 135065924 /nfs/dbraw/zinc/06/59/24/135065924.db2.gz RWJFAJHUJIOGOE-MXWKQRLJSA-N 1 0 250.317 2.213 10 0 CEAERO Nc1ccccc1C[NH2+]C1CCN(c2ccccn2)CC1 ZINC000090961503 135066716 /nfs/dbraw/zinc/06/67/16/135066716.db2.gz HUMHMJPJDWKNNT-UHFFFAOYSA-N 1 0 282.391 2.422 10 0 CEAERO CC(C)C[NH2+]Cc1cccc(N2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000090907734 135066813 /nfs/dbraw/zinc/06/68/13/135066813.db2.gz MGQCNTIMIHYDSV-GASCZTMLSA-N 1 0 275.396 2.195 10 0 CEAERO Cc1cc(N2CCO[C@@H](C(N)=S)C2)c2ccccc2[nH+]1 ZINC000093934982 135082791 /nfs/dbraw/zinc/08/27/91/135082791.db2.gz IOGYWCCSDVXQAJ-CQSZACIVSA-N 1 0 287.388 2.035 10 0 CEAERO CC[C@](C)([NH3+])CN1CCN(c2ccc(F)cc2)CC1 ZINC000094239244 135084391 /nfs/dbraw/zinc/08/43/91/135084391.db2.gz OHECHAGPMUKZKX-HNNXBMFYSA-N 1 0 265.376 2.075 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]2CN(c3cnc4ccccc4n3)C[C@@H]21 ZINC000230134433 394479267 /nfs/dbraw/zinc/47/92/67/394479267.db2.gz QBMNFOGKVGWGIR-FRRDWIJNSA-N 1 0 268.364 2.193 10 0 CEAERO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000032629468 394489264 /nfs/dbraw/zinc/48/92/64/394489264.db2.gz GYKPRYVYGWAFFY-QWHCGFSZSA-N 1 0 253.367 2.039 10 0 CEAERO COC(=O)[C@@H]1C[NH2+]CC[C@H]1Cc1ccc(Cl)cc1 ZINC000039941215 394499042 /nfs/dbraw/zinc/49/90/42/394499042.db2.gz GLBHYYPYZIJNHF-WCQYABFASA-N 1 0 267.756 2.281 10 0 CEAERO C[C@@H]1CC[C@@H](C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)O1 ZINC000246135588 394509393 /nfs/dbraw/zinc/50/93/93/394509393.db2.gz ZYWXKYDTDWFYPT-DFBGVHRSSA-N 1 0 294.370 2.112 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CC[C@@H](C)[C@@H]2C)C1 ZINC000246729058 394520855 /nfs/dbraw/zinc/52/08/55/394520855.db2.gz ALQGFDPVYOBAIL-MQYQWHSLSA-N 1 0 267.417 2.155 10 0 CEAERO CCCCOC[C@H](O)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000248658962 394545107 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CC(C)CCOCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085637357 394643754 /nfs/dbraw/zinc/64/37/54/394643754.db2.gz VBIBFYZZNGKNBE-MJBXVCDLSA-N 1 0 255.402 2.452 10 0 CEAERO C[C@@H]1CC[NH2+][C@H](C(=O)N2CCC(c3nccs3)CC2)C1 ZINC000335600314 394780816 /nfs/dbraw/zinc/78/08/16/394780816.db2.gz IXUDXEAUYTZOKE-YPMHNXCESA-N 1 0 293.436 2.237 10 0 CEAERO CCC(CC)n1ccc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)n1 ZINC000281862996 394864156 /nfs/dbraw/zinc/86/41/56/394864156.db2.gz AORUXNPKJYSCRU-RISCZKNCSA-N 1 0 278.400 2.001 10 0 CEAERO CC[C@H](O)C[NH+]1CCN(Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000123556225 394828898 /nfs/dbraw/zinc/82/88/98/394828898.db2.gz GVASXCUEPCMUOZ-OFQRWUPVSA-N 1 0 292.423 2.292 10 0 CEAERO COC(=O)[C@H]1CCC[N@@H+]1C[C@@H]1CCOc2ccccc21 ZINC000127972464 394852986 /nfs/dbraw/zinc/85/29/86/394852986.db2.gz BRHXPZOLOROWMU-GXTWGEPZSA-N 1 0 275.348 2.190 10 0 CEAERO Cc1nnc([C@H](C)N2CC[N@@H+]3CCCC[C@@H]3C2)s1 ZINC000338273960 394910049 /nfs/dbraw/zinc/91/00/49/394910049.db2.gz 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COc1ccc(CN2CC[C@@H](C)C[C@H]2C[NH3+])c(OC)c1 ZINC000261634332 286307658 /nfs/dbraw/zinc/30/76/58/286307658.db2.gz FWOKDZAKSHTJQS-OCCSQVGLSA-N 1 0 278.396 2.263 10 0 CEAERO CC(C)c1nc2n(n1)C[C@H]([NH2+]Cc1ccc(F)nc1)CC2 ZINC000189071887 153079611 /nfs/dbraw/zinc/07/96/11/153079611.db2.gz YNAFCDUVAYGPCS-GFCCVEGCSA-N 1 0 289.358 2.040 10 0 CEAERO COc1c(C[N@H+](C)CC2(O)CCCCCC2)c(C)nn1C ZINC000190138878 153117420 /nfs/dbraw/zinc/11/74/20/153117420.db2.gz PMLOJLAPPRZAAX-UHFFFAOYSA-N 1 0 295.427 2.254 10 0 CEAERO CC1CC[NH+](CCCNC(=O)[C@H]2CCCO[C@@H]2C)CC1 ZINC000191229579 153164773 /nfs/dbraw/zinc/16/47/73/153164773.db2.gz WWVQMGFMMIIRQC-CABCVRRESA-N 1 0 282.428 2.040 10 0 CEAERO CC[NH+](CC)CCCN1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000191479048 153178146 /nfs/dbraw/zinc/17/81/46/153178146.db2.gz VIMIKLKYKMWFDA-HNNXBMFYSA-N 1 0 294.443 2.364 10 0 CEAERO C[C@@H]1C(=O)NCCC[N@H+]1CCSCc1ccccc1 ZINC000192809358 153218975 /nfs/dbraw/zinc/21/89/75/153218975.db2.gz HOKUDGMXNVEMOG-CYBMUJFWSA-N 1 0 278.421 2.130 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC1(SC)CC1 ZINC000195152294 153275445 /nfs/dbraw/zinc/27/54/45/153275445.db2.gz DGMOHLMJLMZAHX-QWHCGFSZSA-N 1 0 297.468 2.150 10 0 CEAERO Cc1ccc(CC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000195085309 153279182 /nfs/dbraw/zinc/27/91/82/153279182.db2.gz JLJFGFCRPKLQSA-MRXNPFEDSA-N 1 0 272.392 2.234 10 0 CEAERO CC(=O)NCCCN1CCCC[C@@H]1c1nccs1 ZINC000195372346 153287489 /nfs/dbraw/zinc/28/74/89/153287489.db2.gz OGDIDRARGCEDSZ-GFCCVEGCSA-N 1 0 267.398 2.196 10 0 CEAERO CCOC(=O)[C@H](C)N1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516347 153294298 /nfs/dbraw/zinc/29/42/98/153294298.db2.gz UUOXXSQKJQLJSO-UONOGXRCSA-N 1 0 291.395 2.075 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]CCN2CCSCC2)c1C ZINC000223476395 153317018 /nfs/dbraw/zinc/31/70/18/153317018.db2.gz JVVVNNXWOYKKKE-LBPRGKRZSA-N 1 0 296.484 2.219 10 0 CEAERO C[NH2+]Cc1cccc(NC(=O)c2cnc(C)s2)c1 ZINC000226206544 153333324 /nfs/dbraw/zinc/33/33/24/153333324.db2.gz GWKNBTVJEBQPKN-UHFFFAOYSA-N 1 0 261.350 2.423 10 0 CEAERO CC(C)c1ccccc1NC(=O)C[N@@H+]1CC[C@H](CCO)C1 ZINC000227566087 153346091 /nfs/dbraw/zinc/34/60/91/153346091.db2.gz SLWSXIMBLPUFQM-CQSZACIVSA-N 1 0 290.407 2.453 10 0 CEAERO CCCCN(CCCC)C(=O)C[N@@H+]1CC[C@H](CCO)C1 ZINC000227568687 153347267 /nfs/dbraw/zinc/34/72/67/153347267.db2.gz MLKBJNVUEBZGKS-OAHLLOKOSA-N 1 0 284.444 2.120 10 0 CEAERO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](CCO)C2)cc1Cl ZINC000227573071 153347472 /nfs/dbraw/zinc/34/74/72/153347472.db2.gz FZUHWGNWEBZEAE-LBPRGKRZSA-N 1 0 296.798 2.291 10 0 CEAERO OCC[C@H]1CC[N@H+](CCOc2ccc(Cl)cc2)C1 ZINC000227569017 153347849 /nfs/dbraw/zinc/34/78/49/153347849.db2.gz CDKJVHZZFROEDU-GFCCVEGCSA-N 1 0 269.772 2.423 10 0 CEAERO CC(C)c1cccc(NC(=O)C[N@@H+]2CC[C@H](CCO)C2)c1 ZINC000227568774 153347928 /nfs/dbraw/zinc/34/79/28/153347928.db2.gz HFDGQAYNYSIJGI-CQSZACIVSA-N 1 0 290.407 2.453 10 0 CEAERO C[C@H](CCC[NH3+])Nc1nc(C(F)(F)F)ns1 ZINC000228811826 153367405 /nfs/dbraw/zinc/36/74/05/153367405.db2.gz ACSMZTCSBCTFSR-RXMQYKEDSA-N 1 0 254.281 2.096 10 0 CEAERO Cc1cnc([C@@H](C)N[C@H](C)C(=O)NC2CCCC2)o1 ZINC000230643399 153392896 /nfs/dbraw/zinc/39/28/96/153392896.db2.gz YCTIEBFSJDPNMG-GHMZBOCLSA-N 1 0 265.357 2.081 10 0 CEAERO Cc1cnc([C@@H](C)NCC(=O)N2CCCCCC2)o1 ZINC000230641130 153393552 /nfs/dbraw/zinc/39/35/52/153393552.db2.gz IHNRXOLDWCXWGE-GFCCVEGCSA-N 1 0 265.357 2.036 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]C2CCCC2)C12CCOCC2 ZINC000186198291 286382709 /nfs/dbraw/zinc/38/27/09/286382709.db2.gz JMIBFNSRHRTXCT-UONOGXRCSA-N 1 0 253.386 2.493 10 0 CEAERO C[C@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CCCO1 ZINC000246819559 153570795 /nfs/dbraw/zinc/57/07/95/153570795.db2.gz BXKPGHJWLUXIRN-BFHYXJOUSA-N 1 0 299.459 2.220 10 0 CEAERO CO[C@H](C)c1nsc(NCC2(C)CC[NH2+]CC2)n1 ZINC000261562749 153760117 /nfs/dbraw/zinc/76/01/17/153760117.db2.gz GPVFDAZUWUDMSW-SECBINFHSA-N 1 0 270.402 2.047 10 0 CEAERO C[C@]1(CNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])CCCS1 ZINC000261570838 153765271 /nfs/dbraw/zinc/76/52/71/153765271.db2.gz 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CEAERO C[C@@H](c1ccccc1F)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000246938298 287151497 /nfs/dbraw/zinc/15/14/97/287151497.db2.gz JXXJNLZYMSGHHO-UONOGXRCSA-N 1 0 278.371 2.293 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CCC(=O)C[C@H]1C ZINC000245897889 287223253 /nfs/dbraw/zinc/22/32/53/287223253.db2.gz SVQQJGFBQCUSSH-KQTLUZQSSA-N 1 0 292.423 2.077 10 0 CEAERO Cc1cc(=[N+](C)C)cc(C)n1OCc1ccccc1 ZINC000005378959 170091674 /nfs/dbraw/zinc/09/16/74/170091674.db2.gz DUOQLEPVLFLRHJ-UHFFFAOYSA-N 1 0 257.357 2.286 10 0 CEAERO [NH3+]C[C@H](O)COc1ccccc1C(=O)CCc1ccccc1 ZINC000006096132 170176223 /nfs/dbraw/zinc/17/62/23/170176223.db2.gz HIGKMVIPYOFHBP-HNNXBMFYSA-N 1 0 299.370 2.201 10 0 world CEAERO O=C(Nc1cc(O)c2ccccc2c1)[C@@H]1CCC[NH2+]1 ZINC000006118037 170177008 /nfs/dbraw/zinc/17/70/08/170177008.db2.gz KMQNGXDZQAILQD-ZDUSSCGKSA-N 1 0 256.305 2.236 10 0 CEAERO [NH3+]C[C@H](c1ccccc1F)S(=O)(=O)c1cccs1 ZINC000008031213 170315429 /nfs/dbraw/zinc/31/54/29/170315429.db2.gz ZIWWHYIECWAGDN-LLVKDONJSA-N 1 0 285.365 2.361 10 0 CEAERO O=C(Nc1ccccc1OC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000019410215 170788936 /nfs/dbraw/zinc/78/89/36/170788936.db2.gz INAHSOPKGIIPAR-VIFPVBQESA-N 1 0 274.242 2.276 10 0 CEAERO CCOC(=O)N[C@@H](C[NH3+])c1c(C)cc(C)cc1C ZINC000019414345 170790710 /nfs/dbraw/zinc/79/07/10/170790710.db2.gz SCPKEXCVDDYJCE-LBPRGKRZSA-N 1 0 250.342 2.358 10 0 CEAERO O=C(Nc1ccc(F)c(F)c1F)[C@H]1CCC[NH2+]C1 ZINC000019413520 170790723 /nfs/dbraw/zinc/79/07/23/170790723.db2.gz VAECAQMOYSMEJL-ZETCQYMHSA-N 1 0 258.243 2.042 10 0 CEAERO C[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CC[C@H](C)[NH2+]C2)[C@H]1C ZINC000019470980 170804778 /nfs/dbraw/zinc/80/47/78/170804778.db2.gz VRXZDYKPCWUKOE-MBJXGIAVSA-N 1 0 252.402 2.315 10 0 CEAERO O=C(Cc1ccc(F)cc1)NCC[C@H]1CCCC[NH2+]1 ZINC000019503788 170816424 /nfs/dbraw/zinc/81/64/24/170816424.db2.gz XMZSHRQNVOPDEI-CQSZACIVSA-N 1 0 264.344 2.017 10 0 CEAERO C[NH2+]C[C@@H](O)CSc1cc(Cl)ccc1OC ZINC000019687009 170840323 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/nfs/dbraw/zinc/06/23/94/171062394.db2.gz YYJLLATTWSLZJB-CQSZACIVSA-N 1 0 251.370 2.271 10 0 CEAERO CCOc1ccccc1C[C@H](C[NH3+])c1nnc(C)o1 ZINC000020222291 171084717 /nfs/dbraw/zinc/08/47/17/171084717.db2.gz CGLODHPZRMKASZ-GFCCVEGCSA-N 1 0 261.325 2.062 10 0 CEAERO COc1ccc(C(=O)Nc2ccc(CC[NH3+])cc2)cc1 ZINC000020224408 171087129 /nfs/dbraw/zinc/08/71/29/171087129.db2.gz ACTOEWBTPKZTSD-UHFFFAOYSA-N 1 0 270.332 2.449 10 0 CEAERO CC(C)CN(C)[C@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000020226433 171092245 /nfs/dbraw/zinc/09/22/45/171092245.db2.gz KKJCSFUWEQFZDB-GFCCVEGCSA-N 1 0 250.342 2.003 10 0 CEAERO CCN(CC)[C@@H](C[NH2+][C@@H](C)C(=O)N(C)C)c1ccccc1 ZINC000020310087 171144266 /nfs/dbraw/zinc/14/42/66/171144266.db2.gz MIOGQSKCSIKGEG-HOCLYGCPSA-N 1 0 291.439 2.136 10 0 CEAERO C[C@@H]([NH2+]CCCN(C)c1ccccc1)C(=O)NC(C)(C)C ZINC000020361864 171160432 /nfs/dbraw/zinc/16/04/32/171160432.db2.gz BOPOBICTUDDGRR-CQSZACIVSA-N 1 0 291.439 2.406 10 0 CEAERO CCN(CC)C(=O)[C@H](C)[NH2+]CCc1ccc(F)cc1 ZINC000020364477 171162697 /nfs/dbraw/zinc/16/26/97/171162697.db2.gz MLDOLKLFKIYOJX-LBPRGKRZSA-N 1 0 266.360 2.215 10 0 CEAERO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]CCc1ccc(OC)cc1 ZINC000020364308 171163120 /nfs/dbraw/zinc/16/31/20/171163120.db2.gz KUOUCYDEYRDUDK-CHWSQXEVSA-N 1 0 278.396 2.131 10 0 CEAERO CCC[C@H](C)NC(=O)[C@H](C)Oc1cccc(C[NH3+])c1 ZINC000020386773 171176875 /nfs/dbraw/zinc/17/68/75/171176875.db2.gz JBGHSTHJYYOWJM-RYUDHWBXSA-N 1 0 264.369 2.217 10 0 CEAERO CCc1ccc(OC[C@@H](C[NH3+])N2CCCCC2)cc1 ZINC000020400811 171181482 /nfs/dbraw/zinc/18/14/82/171181482.db2.gz JZNOWZOAEFZCGR-OAHLLOKOSA-N 1 0 262.397 2.441 10 0 CEAERO CCc1cccc(OC[C@H](C[NH3+])N2CCCCC2)c1 ZINC000020400809 171181750 /nfs/dbraw/zinc/18/17/50/171181750.db2.gz QGCXBRTTXKGWQG-HNNXBMFYSA-N 1 0 262.397 2.441 10 0 CEAERO CN(CCC(N)=[NH2+])Cc1cccc(C(F)(F)F)c1 ZINC000020525858 171238368 /nfs/dbraw/zinc/23/83/68/171238368.db2.gz YYHVFNQGCFWZJD-UHFFFAOYSA-N 1 0 259.275 2.463 10 0 CEAERO Cc1ccc(CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000020563991 171253244 /nfs/dbraw/zinc/25/32/44/171253244.db2.gz JFTIVEZXLFFPNY-INIZCTEOSA-N 1 0 287.407 2.375 10 0 CEAERO COC(=O)C[C@@H]([NH3+])c1ccc2cc(OC)ccc2c1 ZINC000020577580 171256166 /nfs/dbraw/zinc/25/61/66/171256166.db2.gz BVHYAJDCFDZKTA-CQSZACIVSA-N 1 0 259.305 2.411 10 0 CEAERO COC(=O)C[C@H]([NH3+])c1ccccc1Br ZINC000020577466 171256355 /nfs/dbraw/zinc/25/63/55/171256355.db2.gz IJWZWRXYCPBAGA-VIFPVBQESA-N 1 0 258.115 2.012 10 0 CEAERO CCOC(=O)[C@H](C[NH3+])Cc1cccc(C(F)(F)F)c1 ZINC000020580349 171257106 /nfs/dbraw/zinc/25/71/06/171257106.db2.gz AWSILGQRPYWEDH-JTQLQIEISA-N 1 0 275.270 2.386 10 0 CEAERO COc1cccc([C@@H](Cn2cc[nH]c2=S)[NH+](C)C)c1 ZINC000020581175 171257245 /nfs/dbraw/zinc/25/72/45/171257245.db2.gz QPALMOJZRAFYOH-CYBMUJFWSA-N 1 0 277.393 2.483 10 0 CEAERO CO[C@@H]1C[NH2+][C@@H](c2nc(C3CCCCC3)no2)C1 ZINC000021817295 171332902 /nfs/dbraw/zinc/33/29/02/171332902.db2.gz HCDMFXXAFNCKPO-WDEREUQCSA-N 1 0 251.330 2.167 10 0 CEAERO Cc1cc(N)ccc1NC(=O)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000022153345 171360140 /nfs/dbraw/zinc/36/01/40/171360140.db2.gz STMSZDBYEHTSAR-BETUJISGSA-N 1 0 291.395 2.015 10 0 CEAERO C[C@@H](C(=O)Nc1ccc(F)c(N)c1)[NH+]1CCC(C)CC1 ZINC000022154335 171361303 /nfs/dbraw/zinc/36/13/03/171361303.db2.gz ICXDDNAFWIBKCE-NSHDSACASA-N 1 0 279.359 2.467 10 0 CEAERO C[C@@H]1CN([C@H](C[NH3+])c2ccc(F)c(F)c2)C[C@@H](C)O1 ZINC000022168387 171366850 /nfs/dbraw/zinc/36/68/50/171366850.db2.gz CFVQXHGAFNUKCZ-GPCCPHFNSA-N 1 0 270.323 2.074 10 0 CEAERO CC[C@@H]([NH3+])c1ccccc1OCC(=O)N[C@@H](C)CC ZINC000022174356 171369408 /nfs/dbraw/zinc/36/94/08/171369408.db2.gz YUNZRUUYWLHQRT-WCQYABFASA-N 1 0 264.369 2.390 10 0 CEAERO [NH3+]Cc1ccccc1NC(=O)COc1ccccc1 ZINC000022176122 171370434 /nfs/dbraw/zinc/37/04/34/171370434.db2.gz SWCAEVDQMYGHMI-UHFFFAOYSA-N 1 0 256.305 2.163 10 0 CEAERO [NH3+]Cc1cccc(NC(=O)COc2ccc(F)cc2)c1 ZINC000022215408 171375392 /nfs/dbraw/zinc/37/53/92/171375392.db2.gz ASBKVAUCWXDHCZ-UHFFFAOYSA-N 1 0 274.295 2.302 10 0 CEAERO CCN(CC)C(=O)COc1ccc(CC[C@@H](C)[NH3+])cc1 ZINC000022217200 171376069 /nfs/dbraw/zinc/37/60/69/171376069.db2.gz GGYUBJQVDTUZRW-CYBMUJFWSA-N 1 0 278.396 2.214 10 0 CEAERO CC[NH+](CC)CCCNC(=O)c1ccc2[nH]cnc2c1 ZINC000035132770 171998345 /nfs/dbraw/zinc/99/83/45/171998345.db2.gz ACFYRKFSPHKNMB-UHFFFAOYSA-N 1 0 274.368 2.025 10 0 CEAERO C[C@H]([NH2+]C1c2ccccc2-c2ccccc21)C(N)=O ZINC000035140056 172008148 /nfs/dbraw/zinc/00/81/48/172008148.db2.gz NJHAZTXJYPYCQO-JTQLQIEISA-N 1 0 252.317 2.220 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCc2ccccc21)C(=O)N1CCCC1 ZINC000035180661 172034013 /nfs/dbraw/zinc/03/40/13/172034013.db2.gz DTFBXTVMGWKHID-IUODEOHRSA-N 1 0 258.365 2.274 10 0 CEAERO C[C@@H]([NH2+]CCC(N)=O)c1ccc(C(F)(F)F)cc1 ZINC000035216586 172057904 /nfs/dbraw/zinc/05/79/04/172057904.db2.gz YMBYLOMZEZGMRJ-MRVPVSSYSA-N 1 0 260.259 2.231 10 0 CEAERO Cc1nc2sccn2c1C[NH2+]Cc1cccnc1 ZINC000035255527 172085121 /nfs/dbraw/zinc/08/51/21/172085121.db2.gz ABRMDIBXIFYNBA-UHFFFAOYSA-N 1 0 258.350 2.389 10 0 CEAERO O=C(C[NH2+]CC1CCC1)N1CCc2sccc2C1 ZINC000035415159 172189839 /nfs/dbraw/zinc/18/98/39/172189839.db2.gz UVXFBBZWKVGITH-UHFFFAOYSA-N 1 0 264.394 2.023 10 0 CEAERO C[NH2+]Cc1c(N2CCCCCC2)nc2sccn12 ZINC000035429701 172197954 /nfs/dbraw/zinc/19/79/54/172197954.db2.gz FTPUNBFGKYZFNY-UHFFFAOYSA-N 1 0 264.398 2.496 10 0 CEAERO CC[C@@H](C)CN(C)c1nc2sccn2c1C[NH3+] ZINC000035430273 172198903 /nfs/dbraw/zinc/19/89/03/172198903.db2.gz KTTIQAYRQLSQGY-SECBINFHSA-N 1 0 252.387 2.337 10 0 CEAERO C[NH2+][C@H](c1cnn(C)c1)c1cccc(Br)c1 ZINC000035500092 172234155 /nfs/dbraw/zinc/23/41/55/172234155.db2.gz ZMAXOHNITGKXPQ-LBPRGKRZSA-N 1 0 280.169 2.491 10 0 CEAERO CC[NH2+][C@@H](Cc1cccc(OC)c1)c1cnn(C)c1 ZINC000035555849 172261940 /nfs/dbraw/zinc/26/19/40/172261940.db2.gz UPIMUNQOIOJNGL-HNNXBMFYSA-N 1 0 259.353 2.322 10 0 CEAERO Nc1ccc2[nH]c(CCSc3nncs3)[nH+]c2c1 ZINC000035659201 172335875 /nfs/dbraw/zinc/33/58/75/172335875.db2.gz OXPRMWQQNNZDHV-UHFFFAOYSA-N 1 0 277.378 2.331 10 0 CEAERO [NH3+][C@@H]1CC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000035679605 172350393 /nfs/dbraw/zinc/35/03/93/172350393.db2.gz LREFEKIDGXPZSE-ZCFIWIBFSA-N 1 0 278.661 2.423 10 0 CEAERO CCC[C@H](C)[NH2+][C@@H]1CS(=O)(=O)c2ccccc21 ZINC000035688112 172356620 /nfs/dbraw/zinc/35/66/20/172356620.db2.gz PCHUZCABQOPZPG-CMPLNLGQSA-N 1 0 253.367 2.293 10 0 CEAERO C[C@@H](NC(=O)c1ccccc1F)[C@H]1CCCC[NH2+]1 ZINC000035690622 172358820 /nfs/dbraw/zinc/35/88/20/172358820.db2.gz MFPJYHCBTWAHNP-ZWNOBZJWSA-N 1 0 250.317 2.086 10 0 CEAERO C[C@H](NC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)c1ccncc1 ZINC000035693594 172362351 /nfs/dbraw/zinc/36/23/51/172362351.db2.gz ORPNXKMOTXVDCW-CYUUQNCZSA-N 1 0 273.380 2.180 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1Sc1nnnn1C1CCCC1 ZINC000035724033 172379382 /nfs/dbraw/zinc/37/93/82/172379382.db2.gz PJPRFOPPQMUXOL-GXSJLCMTSA-N 1 0 267.402 2.008 10 0 CEAERO C[C@H]1CS(=O)(=O)c2c(Cl)ccc(Cl)c2[C@@H]1[NH3+] ZINC000035755722 172396954 /nfs/dbraw/zinc/39/69/54/172396954.db2.gz WFGQKKKDCDCTQF-SSDLBLMSSA-N 1 0 280.176 2.417 10 0 CEAERO C[C@H]1C[C@H]([NH2+]C2CC2)c2ccccc2S1(=O)=O ZINC000035760593 172398317 /nfs/dbraw/zinc/39/83/17/172398317.db2.gz SZGOOMLXUMKWPP-CABZTGNLSA-N 1 0 251.351 2.046 10 0 CEAERO C[NH2+][C@@H]1c2cccc(Cl)c2S(=O)(=O)C[C@@H]1C ZINC000035761279 172399196 /nfs/dbraw/zinc/39/91/96/172399196.db2.gz WVNXRWIUNKBVDK-XVKPBYJWSA-N 1 0 259.758 2.024 10 0 CEAERO O=S1(=O)CCC[C@H]([NH2+]C2CC2)c2cc(F)ccc21 ZINC000035761533 172399638 /nfs/dbraw/zinc/39/96/38/172399638.db2.gz MEJABOATOGZQKA-LBPRGKRZSA-N 1 0 269.341 2.186 10 0 CEAERO C[C@@H]1CN([C@@H](C[NH3+])c2cccc(Cl)c2)[C@H](C)CO1 ZINC000035783363 172416035 /nfs/dbraw/zinc/41/60/35/172416035.db2.gz OXTRZDBLRGHIRY-GYSYKLTISA-N 1 0 268.788 2.449 10 0 CEAERO O=C(Nc1ccc(Cl)cc1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000036263471 172556590 /nfs/dbraw/zinc/55/65/90/172556590.db2.gz FCFGOEGVWLUNFI-JOYOIKCWSA-N 1 0 265.744 2.166 10 0 CEAERO CCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000036959854 172829588 /nfs/dbraw/zinc/82/95/88/172829588.db2.gz SCQJHLWUZMZZBM-RYUDHWBXSA-N 1 0 294.395 2.269 10 0 CEAERO C[C@H](Cc1ccco1)NC(=O)CCCCCC[NH3+] ZINC000037021216 172885080 /nfs/dbraw/zinc/88/50/80/172885080.db2.gz VALBGWQBLZSKES-GFCCVEGCSA-N 1 0 252.358 2.236 10 0 CEAERO Cc1ccccc1[C@H](C[NH3+])N(C)[C@@H]1CCSC1 ZINC000037174485 173008662 /nfs/dbraw/zinc/00/86/62/173008662.db2.gz VYPMANZPBUAJPD-OCCSQVGLSA-N 1 0 250.411 2.432 10 0 CEAERO O=S1(=O)CC[C@@H]([NH2+][C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000037188035 173018265 /nfs/dbraw/zinc/01/82/65/173018265.db2.gz JWMQZTNOUUXCOA-KGLIPLIRSA-N 1 0 283.368 2.054 10 0 CEAERO CCCC[NH2+][C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000037197939 173024876 /nfs/dbraw/zinc/02/48/76/173024876.db2.gz PYNIEVOXSBMRAO-GFCCVEGCSA-N 1 0 253.367 2.295 10 0 CEAERO Cc1csc2nc(C)c(C[NH2+]C[C@@H]3CCCO3)n12 ZINC000037215145 173035280 /nfs/dbraw/zinc/03/52/80/173035280.db2.gz LIFOHQPFWURNKK-NSHDSACASA-N 1 0 265.382 2.281 10 0 CEAERO CC(C)C(=O)NCC[NH2+][C@@H]1CSCc2ccccc21 ZINC000037220191 173038443 /nfs/dbraw/zinc/03/84/43/173038443.db2.gz CTTYASBPFQLYED-CQSZACIVSA-N 1 0 278.421 2.336 10 0 CEAERO [NH3+]C[C@H](c1cc(F)ccc1F)N1CCSCC1 ZINC000037233560 173052307 /nfs/dbraw/zinc/05/23/07/173052307.db2.gz RMFAIGOYBDJDBN-GFCCVEGCSA-N 1 0 258.337 2.013 10 0 CEAERO C[NH+]1CCC(NC(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000037249196 173061089 /nfs/dbraw/zinc/06/10/89/173061089.db2.gz ZDBPPJGHGATYAT-UHFFFAOYSA-N 1 0 288.178 2.212 10 0 CEAERO NC(=O)c1ccc(C[NH2+]CC2CCCC2)c(F)c1 ZINC000037258527 173069213 /nfs/dbraw/zinc/06/92/13/173069213.db2.gz VXUXQINUGBISCD-UHFFFAOYSA-N 1 0 250.317 2.204 10 0 CEAERO COC1CCN([C@H](C[NH3+])c2sccc2C)CC1 ZINC000037265853 173075325 /nfs/dbraw/zinc/07/53/25/173075325.db2.gz QFPLNQMZTVSTHM-GFCCVEGCSA-N 1 0 254.399 2.167 10 0 CEAERO COc1ccc(NC(=O)[C@@H]([NH3+])c2ccccc2)cc1F ZINC000037290828 173096005 /nfs/dbraw/zinc/09/60/05/173096005.db2.gz VEVAWEOLTKKSRO-AWEZNQCLSA-N 1 0 274.295 2.473 10 0 CEAERO [NH3+]CCCN(C(=O)[C@H]1CCCO1)C1CCCCCC1 ZINC000037299311 173103889 /nfs/dbraw/zinc/10/38/89/173103889.db2.gz BFZNGXIFDLOTKM-CQSZACIVSA-N 1 0 268.401 2.066 10 0 CEAERO Cc1ccc(C)c(S(=O)(=O)N(CCC[NH3+])C(C)C)c1 ZINC000037299352 173104086 /nfs/dbraw/zinc/10/40/86/173104086.db2.gz HJFFMLYEDOLIJJ-UHFFFAOYSA-N 1 0 284.425 2.051 10 0 CEAERO O=c1[nH]c(C[NH2+]CCc2ccccc2)nc2ccccc21 ZINC000037300612 173106592 /nfs/dbraw/zinc/10/65/92/173106592.db2.gz VOARDIYXRIIWOP-UHFFFAOYSA-N 1 0 279.343 2.255 10 0 CEAERO [NH3+][C@H](Cc1ccccc1)c1nnc2n1CCCCC2 ZINC000037323801 173124177 /nfs/dbraw/zinc/12/41/77/173124177.db2.gz OGXSRGKNGYCWOQ-CYBMUJFWSA-N 1 0 256.353 2.247 10 0 CEAERO CCOc1ccccc1/C=C1\SC(=O)N(CC[NH3+])C1=O ZINC000037326787 173128159 /nfs/dbraw/zinc/12/81/59/173128159.db2.gz AVQYNOLICLPPNI-XFXZXTDPSA-N 1 0 292.360 2.080 10 0 CEAERO O=C(C[NH2+]C1CCCC1)NCc1ccccc1Cl ZINC000037386825 173169578 /nfs/dbraw/zinc/16/95/78/173169578.db2.gz VUHNUFQYHSPVMF-UHFFFAOYSA-N 1 0 266.772 2.488 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)NCCCN(C)c1ccccc1 ZINC000037389584 173172333 /nfs/dbraw/zinc/17/23/33/173172333.db2.gz OLVUHTBHELHYBF-CQSZACIVSA-N 1 0 277.412 2.017 10 0 CEAERO C[C@H]1CCCC[N@@H+]1CCCNCC(=O)OC(C)(C)C ZINC000037394407 173174208 /nfs/dbraw/zinc/17/42/08/173174208.db2.gz CBALVYKDPHURNT-ZDUSSCGKSA-N 1 0 270.417 2.182 10 0 CEAERO [NH3+][C@@H](Cc1ccc(Br)cc1)c1cnccn1 ZINC000037467116 173226441 /nfs/dbraw/zinc/22/64/41/173226441.db2.gz JQIMSWTZSOQTRM-NSHDSACASA-N 1 0 278.153 2.482 10 0 CEAERO C[C@H]([NH3+])CC(=O)Nc1c(F)cc(F)cc1Br ZINC000037476112 173228006 /nfs/dbraw/zinc/22/80/06/173228006.db2.gz QWKXIKXOYGMZDH-YFKPBYRVSA-N 1 0 293.111 2.403 10 0 CEAERO COc1ccc(CC[NH2+]CCc2ccccn2)cc1OC ZINC000037486132 173229320 /nfs/dbraw/zinc/22/93/20/173229320.db2.gz HIDSXNTZIJESPQ-UHFFFAOYSA-N 1 0 286.375 2.474 10 0 CEAERO C[N@@H+]1CC[C@@H](CNc2ccc(Br)cn2)C1 ZINC000037485180 173229591 /nfs/dbraw/zinc/22/95/91/173229591.db2.gz UBJNDSDNPKVRCC-VIFPVBQESA-N 1 0 270.174 2.208 10 0 CEAERO CC(C)(C)OC[C@H](O)C[NH2+]CCCc1ccccc1 ZINC000037485800 173229604 /nfs/dbraw/zinc/22/96/04/173229604.db2.gz ITPYVDVPYKGDKW-OAHLLOKOSA-N 1 0 265.397 2.385 10 0 CEAERO O[C@H]1CCCC[C@@H]1[NH+]1CCN(Cc2ccccc2)CC1 ZINC000037490603 173232140 /nfs/dbraw/zinc/23/21/40/173232140.db2.gz RHZYYYBROVMBMN-IRXDYDNUSA-N 1 0 274.408 2.108 10 0 CEAERO CCN(C(=O)CSC(C)(C)C)C1CC[NH2+]CC1 ZINC000037537349 173257006 /nfs/dbraw/zinc/25/70/06/173257006.db2.gz MGLNXCHXBYZWGJ-UHFFFAOYSA-N 1 0 258.431 2.119 10 0 CEAERO CCN(C(=O)c1cc2c(s1)CCC2)C1CC[NH2+]CC1 ZINC000037537424 173257119 /nfs/dbraw/zinc/25/71/19/173257119.db2.gz VEHMFHAYLNOZAN-UHFFFAOYSA-N 1 0 278.421 2.451 10 0 CEAERO CCN(C(=O)c1cc(C)oc1C)[C@@H]1CCC[NH2+]C1 ZINC000037541186 173263102 /nfs/dbraw/zinc/26/31/02/173263102.db2.gz HYLNZZWTTOLDRL-GFCCVEGCSA-N 1 0 250.342 2.111 10 0 CEAERO CCN(C(=O)c1cc(C)oc1C)[C@H]1CCC[NH2+]C1 ZINC000037541187 173263171 /nfs/dbraw/zinc/26/31/71/173263171.db2.gz HYLNZZWTTOLDRL-LBPRGKRZSA-N 1 0 250.342 2.111 10 0 CEAERO CCN(C(=O)c1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC000037541195 173263350 /nfs/dbraw/zinc/26/33/50/173263350.db2.gz OMQQZFPNUCRNKL-ZDUSSCGKSA-N 1 0 250.317 2.040 10 0 CEAERO COc1ccc([C@@H]([NH3+])CCCCC(N)=O)cc1Cl ZINC000037636644 173584822 /nfs/dbraw/zinc/58/48/22/173584822.db2.gz ZRVYWLHGGDEGPB-NSHDSACASA-N 1 0 270.760 2.394 10 0 CEAERO Cc1occc1C(=O)N(C)Cc1ccc(C[NH3+])cc1 ZINC000037757835 173682273 /nfs/dbraw/zinc/68/22/73/173682273.db2.gz ARCOHHMSZHIKTG-UHFFFAOYSA-N 1 0 258.321 2.319 10 0 CEAERO CCOCc1ccccc1C[NH2+][C@H](C)CC(=O)OC ZINC000037762454 173689235 /nfs/dbraw/zinc/68/92/35/173689235.db2.gz UODAYNFQPMAAEQ-GFCCVEGCSA-N 1 0 265.353 2.264 10 0 CEAERO Cc1ccc(N)cc1NC(=O)CC[N@H+]1CCC[C@H]1C ZINC000037909860 173843012 /nfs/dbraw/zinc/84/30/12/173843012.db2.gz JMNPKHFNPCPKTG-GFCCVEGCSA-N 1 0 261.369 2.390 10 0 CEAERO CCc1ncc(C[NH2+][C@H](C)C(=O)N(CC)CC)s1 ZINC000037924540 173863095 /nfs/dbraw/zinc/86/30/95/173863095.db2.gz ZUUATKHCTCLVJI-SNVBAGLBSA-N 1 0 269.414 2.052 10 0 CEAERO [NH3+]CCN(CC(=O)Nc1ccccc1)Cc1ccccc1 ZINC000038033153 174030803 /nfs/dbraw/zinc/03/08/03/174030803.db2.gz GMRPVHJEMPVXPM-UHFFFAOYSA-N 1 0 283.375 2.086 10 0 CEAERO COC(=O)c1cc(Cl)ccc1NC1CC[NH2+]CC1 ZINC000038040943 174041371 /nfs/dbraw/zinc/04/13/71/174041371.db2.gz XFSHOBWPSCLDPE-UHFFFAOYSA-N 1 0 268.744 2.291 10 0 CEAERO c1nn(Cc2ccccc2)cc1NC1CC[NH2+]CC1 ZINC000038041559 174043586 /nfs/dbraw/zinc/04/35/86/174043586.db2.gz LJZNEOVEBTUJLZ-UHFFFAOYSA-N 1 0 256.353 2.095 10 0 CEAERO CC(C)(C)c1noc([C@H]2CCCN2C2CC[NH2+]CC2)n1 ZINC000038042515 174046281 /nfs/dbraw/zinc/04/62/81/174046281.db2.gz JKVATMFMBYCBGE-GFCCVEGCSA-N 1 0 278.400 2.256 10 0 CEAERO C[C@H](OC[C@H](O)C[NH2+]C[C@@H]1CCCOC1)c1ccccc1 ZINC000038045456 174054129 /nfs/dbraw/zinc/05/41/29/174054129.db2.gz PZOUQPBZDPEKPV-YQQAZPJKSA-N 1 0 293.407 2.141 10 0 CEAERO CCn1c(C[NH2+][C@H]2CCC[C@H](O)C2)nc2ccccc21 ZINC000038046839 174055741 /nfs/dbraw/zinc/05/57/41/174055741.db2.gz IJQFWKJZEICZEN-STQMWFEESA-N 1 0 273.380 2.449 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)c1cccc(Br)c1 ZINC000038048696 174059168 /nfs/dbraw/zinc/05/91/68/174059168.db2.gz ZXMRIGVXASKVAK-NWDGAFQWSA-N 1 0 297.196 2.449 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1cccc(OC(F)F)c1 ZINC000038048751 174059443 /nfs/dbraw/zinc/05/94/43/174059443.db2.gz GHXJZAOCTQTBLM-NEPJUHHUSA-N 1 0 284.306 2.288 10 0 CEAERO CCCc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000038050562 174062177 /nfs/dbraw/zinc/06/21/77/174062177.db2.gz ABXANVCPOFNRCB-LSDHHAIUSA-N 1 0 296.436 2.187 10 0 CEAERO CC[NH2+]C[C@@H](O)COc1cc(C(C)C)ccc1C ZINC000038053001 174064921 /nfs/dbraw/zinc/06/49/21/174064921.db2.gz IDDRPJZSKFQNLJ-CQSZACIVSA-N 1 0 251.370 2.468 10 0 CEAERO Cc1cccc(C2CC([NH2+]C[C@H]3COCCO3)C2)c1 ZINC000038060863 174071658 /nfs/dbraw/zinc/07/16/58/174071658.db2.gz JVEXOOBZQLOFCY-GPANFISMSA-N 1 0 261.365 2.246 10 0 CEAERO CC[C@@H](C)[NH2+][C@H](C(N)=O)c1ccc(SC)cc1 ZINC000038064830 174075514 /nfs/dbraw/zinc/07/55/14/174075514.db2.gz LUBFCEQDPUQYNG-SKDRFNHKSA-N 1 0 252.383 2.323 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)Nc1cccc(F)c1 ZINC000038076602 174087643 /nfs/dbraw/zinc/08/76/43/174087643.db2.gz MYJDPIILJFKWPU-RYUDHWBXSA-N 1 0 251.305 2.217 10 0 CEAERO CCC[NH2+][C@H](C[C@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC000038085362 174095767 /nfs/dbraw/zinc/09/57/67/174095767.db2.gz AMYLJLZEYUQMNB-VXGBXAGGSA-N 1 0 261.431 2.226 10 0 CEAERO COc1cc([C@H](C)[NH2+]C[C@@H](C)N(C)C)ccc1O ZINC000038088648 174101243 /nfs/dbraw/zinc/10/12/43/174101243.db2.gz ZRCHOJUSOVPNPW-MNOVXSKESA-N 1 0 252.358 2.002 10 0 CEAERO Cc1csc(CN[C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000038090988 174104487 /nfs/dbraw/zinc/10/44/87/174104487.db2.gz CTSRMOWXOFEGNL-DLOVCJGASA-N 1 0 253.415 2.270 10 0 CEAERO O[C@H](C[NH2+]CC[C@@H]1CCCO1)c1c(F)cccc1F ZINC000038096829 174110856 /nfs/dbraw/zinc/11/08/56/174110856.db2.gz IWDQLOBABSXBPV-GXFFZTMASA-N 1 0 271.307 2.157 10 0 CEAERO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COCc2ccco2)o1 ZINC000038097797 174111975 /nfs/dbraw/zinc/11/19/75/174111975.db2.gz NZDRCWATSFKIKY-OLZOCXBDSA-N 1 0 279.336 2.409 10 0 CEAERO CC[NH2+][C@@H](CCOC)Cc1ccc(OC)c(OC)c1 ZINC000038131533 174132140 /nfs/dbraw/zinc/13/21/40/174132140.db2.gz WZYXGMPBPDTPPB-ZDUSSCGKSA-N 1 0 267.369 2.261 10 0 CEAERO [NH3+][C@@H](Cc1ccccc1)C(=O)Nc1cccc(F)c1F ZINC000040230995 174209853 /nfs/dbraw/zinc/20/98/53/174209853.db2.gz BLDOSECAVBIZBO-LBPRGKRZSA-N 1 0 276.286 2.473 10 0 CEAERO COc1cc(C)ccc1NC(=O)[C@@H]([NH3+])CCSC ZINC000040464325 174273850 /nfs/dbraw/zinc/27/38/50/174273850.db2.gz DHALHZGOPCRXMX-JTQLQIEISA-N 1 0 268.382 2.023 10 0 CEAERO CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@H](C)Cc1c(F)cccc1F ZINC000040490595 174291842 /nfs/dbraw/zinc/29/18/42/174291842.db2.gz XNJJVRQCZJEEQE-RULNRJAQSA-N 1 0 284.350 2.385 10 0 CEAERO Cc1ncsc1CCOC[C@H](O)C[NH2+]CC(C)(C)C ZINC000040493219 174292719 /nfs/dbraw/zinc/29/27/19/174292719.db2.gz WFORHYBBHFLJAK-GFCCVEGCSA-N 1 0 286.441 2.007 10 0 CEAERO C[NH2+]C[C@H]1CCCN([C@@H](C)c2ccc3c(c2)OCCO3)C1 ZINC000040592362 174347705 /nfs/dbraw/zinc/34/77/05/174347705.db2.gz UYWMXJXAMRYXFU-UONOGXRCSA-N 1 0 290.407 2.450 10 0 CEAERO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2O)C1 ZINC000040594990 174348448 /nfs/dbraw/zinc/34/84/48/174348448.db2.gz OHFMIZPLCRNOGR-JTQLQIEISA-N 1 0 282.771 2.117 10 0 CEAERO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(Cl)cc2N)C1 ZINC000040620373 174354016 /nfs/dbraw/zinc/35/40/16/174354016.db2.gz RQMAFNFDWSFJKE-LLVKDONJSA-N 1 0 295.814 2.382 10 0 CEAERO CC(C)OC[C@@H](O)C[NH2+]Cc1cc2c(s1)CCC2 ZINC000040626848 174357040 /nfs/dbraw/zinc/35/70/40/174357040.db2.gz RXIDZNIILQRTAV-LBPRGKRZSA-N 1 0 269.410 2.112 10 0 CEAERO CCC(C)(C)C1CCC(NC(=O)[C@H]2C[C@@H](OC)C[NH2+]2)CC1 ZINC000040632680 174358900 /nfs/dbraw/zinc/35/89/00/174358900.db2.gz VPFIOEPRGOMXTJ-NEXFUWMNSA-N 1 0 296.455 2.475 10 0 CEAERO CO[C@H]1C[NH2+][C@H](C(=O)Nc2ccccc2OCC(C)C)C1 ZINC000040634342 174360443 /nfs/dbraw/zinc/36/04/43/174360443.db2.gz AATNXALPLWFROP-OCCSQVGLSA-N 1 0 292.379 2.037 10 0 CEAERO CO[C@@H]1C[NH2+][C@@H](c2nc(-c3cc(F)ccc3F)c[nH]2)C1 ZINC000040637688 174361666 /nfs/dbraw/zinc/36/16/66/174361666.db2.gz OPOYRNCUJVZWEG-JOYOIKCWSA-N 1 0 279.290 2.404 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](c2nc(-c3cccc(F)c3)c[nH]2)C1 ZINC000040637739 174361827 /nfs/dbraw/zinc/36/18/27/174361827.db2.gz VGJQQVWRFLABDW-VXGBXAGGSA-N 1 0 261.300 2.265 10 0 CEAERO CCOC(=O)C[C@H]([NH3+])c1cccc(OC(C)C)c1 ZINC000040641125 174364477 /nfs/dbraw/zinc/36/44/77/174364477.db2.gz ASWSHALRGABUNP-ZDUSSCGKSA-N 1 0 251.326 2.427 10 0 CEAERO Cc1cc(Nc2ncnc(Nc3cc[nH+]cc3)c2N)no1 ZINC000040680799 174375528 /nfs/dbraw/zinc/37/55/28/174375528.db2.gz OUNPHHRQGMAIJV-UHFFFAOYSA-N 1 0 283.295 2.237 10 0 CEAERO CCN(CC)c1ncnc(Nc2cc[nH+]cc2)c1N ZINC000040687513 174375699 /nfs/dbraw/zinc/37/56/99/174375699.db2.gz SQXCRBUYIPDLHW-UHFFFAOYSA-N 1 0 258.329 2.044 10 0 CEAERO CCOC1CCN(c2c(C[NH2+]C(C)C)c(C)nn2C)CC1 ZINC000040689844 174376494 /nfs/dbraw/zinc/37/64/94/174376494.db2.gz CSWYEMNIAGFFMG-UHFFFAOYSA-N 1 0 294.443 2.232 10 0 CEAERO COC(=O)C1(Nc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000040695386 174378275 /nfs/dbraw/zinc/37/82/75/174378275.db2.gz NTQCVMGCUDZOCR-UHFFFAOYSA-N 1 0 268.744 2.047 10 0 CEAERO CCCn1c2c(cccc2Cl)nc1[C@@H]([NH3+])CCO ZINC000040710381 174380769 /nfs/dbraw/zinc/38/07/69/174380769.db2.gz BCHOVRDSOCTOJH-JTQLQIEISA-N 1 0 267.760 2.482 10 0 CEAERO Cc1cc(N)ccc1NC(=O)CC[N@H+]1CC[C@@H](C)C1 ZINC000040716867 174384241 /nfs/dbraw/zinc/38/42/41/174384241.db2.gz RJIRFRZEOUYIQY-LLVKDONJSA-N 1 0 261.369 2.248 10 0 CEAERO COc1ccc([C@H](C[NH3+])N2CC[C@@H](C)C2)c(OC)c1 ZINC000040717464 174384943 /nfs/dbraw/zinc/38/49/43/174384943.db2.gz VDUZORXIZVXFNG-RISCZKNCSA-N 1 0 264.369 2.045 10 0 CEAERO Cc1nn([C@@H]2COc3ccccc3[C@@H]2[NH3+])c(C)c1C ZINC000040729829 174388444 /nfs/dbraw/zinc/38/84/44/174388444.db2.gz FAKCXUPJEMFVNN-HIFRSBDPSA-N 1 0 257.337 2.442 10 0 CEAERO CCN(C(=O)Cc1ccc(O)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747702 174392837 /nfs/dbraw/zinc/39/28/37/174392837.db2.gz DLTKMFUEQNPIOI-YIONKMFJSA-N 1 0 288.391 2.066 10 0 CEAERO CCc1cc(N(C)Cc2ccc(C[NH3+])cc2)ncn1 ZINC000040764953 174397667 /nfs/dbraw/zinc/39/76/67/174397667.db2.gz IXYBRBSVGHAESS-UHFFFAOYSA-N 1 0 256.353 2.134 10 0 CEAERO CO[C@H]1CCCC[C@@H]1[NH2+]CCN1CCCCCC1 ZINC000040767922 174398374 /nfs/dbraw/zinc/39/83/74/174398374.db2.gz GVEKRLKTUDZPCR-GJZGRUSLSA-N 1 0 254.418 2.410 10 0 CEAERO CC[NH2+]Cc1ccc(OC)cc1O[C@H](C)C(=O)NC(C)C ZINC000040903713 174429748 /nfs/dbraw/zinc/42/97/48/174429748.db2.gz JUVIIIQTTIZBOU-GFCCVEGCSA-N 1 0 294.395 2.097 10 0 CEAERO CCOc1ccc(C(C)=O)cc1CN1CC[C@@H]([NH+](C)C)C1 ZINC000062966681 414758710 /nfs/dbraw/zinc/75/87/10/414758710.db2.gz KATKOGYJKKRXIQ-MRXNPFEDSA-N 1 0 290.407 2.424 10 0 CEAERO C[C@H](NC(=O)CCC(C)(C)[NH3+])c1ccc2c(c1)OCCO2 ZINC000070087072 414765492 /nfs/dbraw/zinc/76/54/92/414765492.db2.gz OBHKPJFTQKMDCX-NSHDSACASA-N 1 0 292.379 2.153 10 0 CEAERO COc1ccc([C@@H](C)NC(=O)CCC(C)(C)[NH3+])cc1OC ZINC000070088009 414766403 /nfs/dbraw/zinc/76/64/03/414766403.db2.gz NMRUJLAUSAQRSR-LLVKDONJSA-N 1 0 294.395 2.399 10 0 CEAERO CCOC(=O)COC[C@@H]([NH3+])c1ccc(CC(C)C)cc1 ZINC000041071937 174471010 /nfs/dbraw/zinc/47/10/10/174471010.db2.gz HFJVFJWYUMJQRK-OAHLLOKOSA-N 1 0 279.380 2.465 10 0 CEAERO C[NH2+]Cc1ccccc1CNc1nc(C)cnc1C ZINC000404687150 414789502 /nfs/dbraw/zinc/78/95/02/414789502.db2.gz MOSPVKRYOAANKB-UHFFFAOYSA-N 1 0 256.353 2.425 10 0 CEAERO Cc1cc(C(C)C)nc(N(C)CC(C)(C)C[NH3+])n1 ZINC000122593093 414789799 /nfs/dbraw/zinc/78/97/99/414789799.db2.gz MKIFQVRXNFEIPE-UHFFFAOYSA-N 1 0 250.390 2.330 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC[C@H]1CC2CCC1CC2 ZINC000400112626 414747342 /nfs/dbraw/zinc/74/73/42/414747342.db2.gz KYYWCEHZGUIUKM-PCGVCOGMSA-N 1 0 264.413 2.304 10 0 CEAERO [NH3+]CC[C@@H](O)CCOc1cc(Cl)cc(Cl)c1 ZINC000041357934 174535407 /nfs/dbraw/zinc/53/54/07/174535407.db2.gz RCWLZMJRGLMUKX-SNVBAGLBSA-N 1 0 264.152 2.472 10 0 CEAERO CCOc1cncc(NCc2ccccc2C[NH2+]C)n1 ZINC000404865667 414790260 /nfs/dbraw/zinc/79/02/60/414790260.db2.gz ZPRMVVGJJKXMOP-UHFFFAOYSA-N 1 0 272.352 2.207 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CCc1c[nH]c2ccccc12 ZINC000312472186 414864751 /nfs/dbraw/zinc/86/47/51/414864751.db2.gz MLIINVCSLLOBNC-RISCZKNCSA-N 1 0 271.364 2.049 10 0 CEAERO Cc1ccc(S(=O)(=O)C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000041413156 174549856 /nfs/dbraw/zinc/54/98/56/174549856.db2.gz KSYMRAPNCPHVJR-OAHLLOKOSA-N 1 0 275.373 2.469 10 0 CEAERO C[NH+](C)CCC(=O)Nc1nc(-c2cccnc2)cs1 ZINC000041536578 174566405 /nfs/dbraw/zinc/56/64/05/174566405.db2.gz FSQXJZWPXGIHMV-UHFFFAOYSA-N 1 0 276.365 2.095 10 0 CEAERO CN(C(=O)CCC1CCCC1)[C@@H](C[NH3+])C(F)(F)F ZINC000662978670 414817190 /nfs/dbraw/zinc/81/71/90/414817190.db2.gz QZEZZVFGFXWJCA-JTQLQIEISA-N 1 0 266.307 2.305 10 0 CEAERO Cc1cc(F)ccc1C(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662985687 414819800 /nfs/dbraw/zinc/81/98/00/414819800.db2.gz YDUXPHUQCRFNCG-SNVBAGLBSA-N 1 0 278.249 2.096 10 0 CEAERO C[C@H](COCc1ccccc1)[NH2+]C[C@H](O)CC(F)(F)F ZINC000307951736 414854325 /nfs/dbraw/zinc/85/43/25/414854325.db2.gz UZVSECNVCZJEDZ-DGCLKSJQSA-N 1 0 291.313 2.495 10 0 CEAERO Cc1[nH]c2ccccc2c1C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000653141214 414921860 /nfs/dbraw/zinc/92/18/60/414921860.db2.gz ZJPICSDADHCQOV-PWSUYJOCSA-N 1 0 257.337 2.038 10 0 CEAERO CCC[NH2+]Cc1cnn(-c2ccc(Cl)nn2)c1C ZINC000042355560 174694249 /nfs/dbraw/zinc/69/42/49/174694249.db2.gz NIDOVUWIEJJRAX-UHFFFAOYSA-N 1 0 265.748 2.124 10 0 CEAERO CCC[NH2+]Cc1ccccc1N(CC)CC(=O)NCC ZINC000042370528 174700982 /nfs/dbraw/zinc/70/09/82/174700982.db2.gz YHGBCOWTAAFFOX-UHFFFAOYSA-N 1 0 277.412 2.149 10 0 CEAERO CN(C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)c1ccccc1 ZINC000653056343 414889701 /nfs/dbraw/zinc/88/97/01/414889701.db2.gz BASDJGSEAJYJAA-GHMZBOCLSA-N 1 0 272.270 2.047 10 0 CEAERO C[C@H]1CCC[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653067830 414895602 /nfs/dbraw/zinc/89/56/02/414895602.db2.gz MYKVBVUMIWHEKI-UKKRHICBSA-N 1 0 278.318 2.079 10 0 CEAERO CCCc1nccnc1N1CCC(CC[NH2+]C)CC1 ZINC000663272990 414900472 /nfs/dbraw/zinc/90/04/72/414900472.db2.gz UOHAPVIRFSUQOD-UHFFFAOYSA-N 1 0 262.401 2.255 10 0 CEAERO Brc1ccc(NCC23CC(C2)C[NH2+]3)nc1 ZINC000663274976 414901386 /nfs/dbraw/zinc/90/13/86/414901386.db2.gz XOAKHBCDWVDUMK-UHFFFAOYSA-N 1 0 268.158 2.008 10 0 CEAERO O=C1NCC[C@H]1[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000657525783 414987296 /nfs/dbraw/zinc/98/72/96/414987296.db2.gz VQNYPKIHFOBESM-CQSZACIVSA-N 1 0 272.373 2.393 10 0 CEAERO C[C@@H]1CC[C@@H](C)N(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653446589 414997371 /nfs/dbraw/zinc/99/73/71/414997371.db2.gz MMIZLKXPJDNALU-GWOFURMSSA-N 1 0 278.318 2.031 10 0 CEAERO Cc1cc(Cl)ccc1C[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000657696479 415050662 /nfs/dbraw/zinc/05/06/62/415050662.db2.gz UZNZCWROJMWWTK-LLVKDONJSA-N 1 0 266.772 2.216 10 0 CEAERO CN1C[C@@H](C[NH2+]C2CCC(C3CCC3)CC2)CC1=O ZINC000657697921 415052471 /nfs/dbraw/zinc/05/24/71/415052471.db2.gz XJWFKCJNWHZAKH-LRVUVFPRSA-N 1 0 264.413 2.413 10 0 CEAERO CN1C[C@@H](C[NH2+]Cc2cccc(C3CC3)c2)CC1=O ZINC000657697649 415052888 /nfs/dbraw/zinc/05/28/88/415052888.db2.gz UTCDAOIUVZVOJO-CYBMUJFWSA-N 1 0 258.365 2.132 10 0 CEAERO C[C@@H]1CCC[C@](C[NH3+])(N(C)Cc2cscn2)C1 ZINC000042863508 174894149 /nfs/dbraw/zinc/89/41/49/174894149.db2.gz MCCWVBBSMZNFOC-YPMHNXCESA-N 1 0 253.415 2.483 10 0 CEAERO Cc1ccc([C@H](Sc2nc(N)cc(N)n2)[C@H](C)[NH3+])cc1 ZINC000042912480 174910710 /nfs/dbraw/zinc/91/07/10/174910710.db2.gz QLDUAZHOKDDKME-TVQRCGJNSA-N 1 0 289.408 2.130 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)n1cncn1 ZINC000043022031 174945536 /nfs/dbraw/zinc/94/55/36/174945536.db2.gz UEPSFCMTEDFTAO-VXGBXAGGSA-N 1 0 295.184 2.367 10 0 CEAERO COc1cccc([C@@H](C[NH3+])n2cc(Br)cn2)c1 ZINC000043028912 174948357 /nfs/dbraw/zinc/94/83/57/174948357.db2.gz FJRDUYPRLWRVRL-GFCCVEGCSA-N 1 0 296.168 2.202 10 0 CEAERO [NH3+]C[C@@H](c1ccccc1F)n1cc(Br)cn1 ZINC000043046318 174956955 /nfs/dbraw/zinc/95/69/55/174956955.db2.gz UBZKIFHVBBOWLO-NSHDSACASA-N 1 0 284.132 2.333 10 0 CEAERO C[C@]1(C2CC2)C[N@H+](C[C@H]2CCC[C@@H](O)C2)CCO1 ZINC000661172005 415122035 /nfs/dbraw/zinc/12/20/35/415122035.db2.gz PVVRXRLLNZEBEE-NWANDNLSSA-N 1 0 253.386 2.038 10 0 CEAERO C[C@H]([NH3+])[C@H](c1ccsc1)N(C)Cc1cnn(C)c1 ZINC000043123435 174976595 /nfs/dbraw/zinc/97/65/95/174976595.db2.gz XWZYCPNLSDVPHP-GXFFZTMASA-N 1 0 264.398 2.002 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccsc1)N1CCCN(C(C)=O)CC1 ZINC000043123995 174977417 /nfs/dbraw/zinc/97/74/17/174977417.db2.gz BBFKICCWDYWUFS-HUUCEWRRSA-N 1 0 295.452 2.081 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccc(Cl)s1)N(C)CCO ZINC000043253046 174994313 /nfs/dbraw/zinc/99/43/13/174994313.db2.gz IMBFVDSSAPZGNH-GZMMTYOYSA-N 1 0 262.806 2.104 10 0 CEAERO NC(=[NH2+])c1ccc(Cn2ccc(C(F)(F)F)n2)c(F)c1 ZINC000043298660 174999602 /nfs/dbraw/zinc/99/96/02/174999602.db2.gz RROBAXZPNDGKDV-UHFFFAOYSA-N 1 0 286.232 2.373 10 0 CEAERO CC[NH2+][C@@H](c1cc(C)ccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000043301109 175001901 /nfs/dbraw/zinc/00/19/01/175001901.db2.gz BVBMGSQEISGMDC-DZGCQCFKSA-N 1 0 281.421 2.389 10 0 CEAERO COCCCN(CCOC)[C@@H](C[NH3+])c1cccc(C)c1C ZINC000043314993 175004531 /nfs/dbraw/zinc/00/45/31/175004531.db2.gz KJZUCKURUYLHJB-KRWDZBQOSA-N 1 0 294.439 2.288 10 0 CEAERO CCN(CCOC)[C@@H](C[NH3+])c1cccc(C)c1C ZINC000043314912 175004882 /nfs/dbraw/zinc/00/48/82/175004882.db2.gz DONSPHJLYJVQQA-HNNXBMFYSA-N 1 0 250.386 2.272 10 0 CEAERO CCCOC(=O)c1ccc(N[C@H]2CCC[NH2+]C2)cc1 ZINC000043325336 175006880 /nfs/dbraw/zinc/00/68/80/175006880.db2.gz YXMOQIABVPNUOM-AWEZNQCLSA-N 1 0 262.353 2.417 10 0 CEAERO COC(=O)c1ccc(Cl)c(N[C@@H]2CCC[NH2+]C2)c1 ZINC000043326413 175008036 /nfs/dbraw/zinc/00/80/36/175008036.db2.gz BZIJPKBPZSHSSG-SNVBAGLBSA-N 1 0 268.744 2.291 10 0 CEAERO c1cn(Cc2cccc(N[C@@H]3CCC[NH2+]C3)c2)cn1 ZINC000043326791 175008292 /nfs/dbraw/zinc/00/82/92/175008292.db2.gz PKPOXTXAPDSCFC-OAHLLOKOSA-N 1 0 256.353 2.095 10 0 CEAERO COc1ccc(O)c(C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1 ZINC000043334179 175010545 /nfs/dbraw/zinc/01/05/45/175010545.db2.gz JZNPRTGXHWSJEO-GFCCVEGCSA-N 1 0 294.395 2.107 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccco1)N(CCOC)C1CC1 ZINC000043335871 175011481 /nfs/dbraw/zinc/01/14/81/175011481.db2.gz JCCZPOOGWGARDY-GXTWGEPZSA-N 1 0 252.358 2.169 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1ccco1)n1ccc(C(F)(F)F)n1 ZINC000043336523 175012545 /nfs/dbraw/zinc/01/25/45/175012545.db2.gz ZSZXFKDSQZIOGP-XVKPBYJWSA-N 1 0 259.231 2.432 10 0 CEAERO Cc1ncsc1CCO[C@@H](C[NH3+])c1ccco1 ZINC000043337291 175012835 /nfs/dbraw/zinc/01/28/35/175012835.db2.gz PNYRTOIVSBFPAB-NSHDSACASA-N 1 0 252.339 2.304 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccccn1)N(CC)[C@@H](C)COC ZINC000043341146 175015280 /nfs/dbraw/zinc/01/52/80/175015280.db2.gz YXAZSPDZPKHQRA-GUTXKFCHSA-N 1 0 265.401 2.217 10 0 CEAERO [NH3+]C[C@@H](Oc1ccc(F)c(F)c1)c1ccccn1 ZINC000043343794 175016280 /nfs/dbraw/zinc/01/62/80/175016280.db2.gz HYHPJVIKZBLQJF-CYBMUJFWSA-N 1 0 250.248 2.439 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1cccnc1)N(C)CCc1ccncc1 ZINC000043347080 175017773 /nfs/dbraw/zinc/01/77/73/175017773.db2.gz GQLMYMVAWNWVFO-CJNGLKHVSA-N 1 0 270.380 2.039 10 0 CEAERO CCOC1CCN([C@@H](c2cccnc2)[C@H]([NH3+])CC)CC1 ZINC000043347182 175017985 /nfs/dbraw/zinc/01/79/85/175017985.db2.gz BPDINRYHXPKBGC-CVEARBPZSA-N 1 0 277.412 2.361 10 0 CEAERO CCCCOCCO[C@@H](c1cccnc1)[C@@H](C)[NH3+] ZINC000043350757 175019599 /nfs/dbraw/zinc/01/95/99/175019599.db2.gz AGQJGVKAZFSWEV-TZMCWYRMSA-N 1 0 252.358 2.303 10 0 CEAERO Cc1cc(=O)[nH]c(S[C@@H](c2cccnc2)[C@H](C)[NH3+])n1 ZINC000043352025 175019601 /nfs/dbraw/zinc/01/96/01/175019601.db2.gz UWJCTNZSQGUTQR-JOYOIKCWSA-N 1 0 276.365 2.066 10 0 CEAERO CCOC(=O)CS[C@H](c1cccnc1)[C@@H]([NH3+])CC ZINC000043352643 175020249 /nfs/dbraw/zinc/02/02/49/175020249.db2.gz VFJWCLGCUAVEEK-WCQYABFASA-N 1 0 268.382 2.156 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccncc1)N(C)CCc1ccncc1 ZINC000043353858 175020665 /nfs/dbraw/zinc/02/06/65/175020665.db2.gz JUMIUHHLGQIDCC-IAGOWNOFSA-N 1 0 284.407 2.430 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccncc1)N(CCO)C1CCCCC1 ZINC000043354616 175022366 /nfs/dbraw/zinc/02/23/66/175022366.db2.gz PAROMTZHMJTHDS-IAGOWNOFSA-N 1 0 291.439 2.487 10 0 CEAERO C[C@H]([NH3+])[C@H](c1ccncc1)N(C)Cc1cscn1 ZINC000043354851 175022534 /nfs/dbraw/zinc/02/25/34/175022534.db2.gz FGAYHVQXAAJDKT-GXFFZTMASA-N 1 0 262.382 2.058 10 0 CEAERO Cc1ncsc1CCO[C@H](c1ccncc1)[C@H](C)[NH3+] ZINC000043355734 175022981 /nfs/dbraw/zinc/02/29/81/175022981.db2.gz MCUUJOOZPDHOLZ-HZMBPMFUSA-N 1 0 277.393 2.494 10 0 CEAERO CCOC1CCN([C@H](c2ccc(C)o2)[C@@H](C)[NH3+])CC1 ZINC000043364573 175025968 /nfs/dbraw/zinc/02/59/68/175025968.db2.gz RFKZRUJECSQEGH-DOMZBBRYSA-N 1 0 266.385 2.477 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccc(C)o1)N(CCCO)C(C)C ZINC000043365170 175026883 /nfs/dbraw/zinc/02/68/83/175026883.db2.gz XDYCRFPROJNTQA-DZGCQCFKSA-N 1 0 268.401 2.459 10 0 CEAERO CCOC(=O)CS[C@@H](c1ccc(C)o1)[C@@H](C)[NH3+] ZINC000043367621 175027739 /nfs/dbraw/zinc/02/77/39/175027739.db2.gz KPNFJSZBUCGFBB-BXKDBHETSA-N 1 0 257.355 2.273 10 0 CEAERO CC[C@H]([NH3+])[C@H](N(C)Cc1cc(C)on1)C(F)(F)F ZINC000043377727 175030478 /nfs/dbraw/zinc/03/04/78/175030478.db2.gz YACHATQNNYWTSK-UWVGGRQHSA-N 1 0 265.279 2.083 10 0 CEAERO CC[C@@H]([NH3+])[C@H](N(CC)[C@@H](C)COC)C(F)(F)F ZINC000043379236 175030959 /nfs/dbraw/zinc/03/09/59/175030959.db2.gz NGYIDOZCEWWDNZ-AEJSXWLSSA-N 1 0 256.312 2.011 10 0 CEAERO CC[C@H]([NH3+])[C@@H](N(C)Cc1cscn1)C(F)(F)F ZINC000043379307 175031032 /nfs/dbraw/zinc/03/10/32/175031032.db2.gz NSNIWKDWSKWPBQ-DTWKUNHWSA-N 1 0 267.320 2.243 10 0 CEAERO CO[C@@H]1C[NH2+][C@@H](c2nc(-c3cc(F)cc(F)c3)no2)C1 ZINC000043387537 175033095 /nfs/dbraw/zinc/03/30/95/175033095.db2.gz PUULPVMVDNBZDT-WDEREUQCSA-N 1 0 281.262 2.064 10 0 CEAERO C[NH2+][C@@H](c1ccc(Cl)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043389106 175033221 /nfs/dbraw/zinc/03/32/21/175033221.db2.gz UBFWWMZWYDNIHD-SKDRFNHKSA-N 1 0 291.775 2.174 10 0 CEAERO CCC[NH2+]Cc1ccc(OCCC(N)=O)c(Cl)c1 ZINC000043479269 175055396 /nfs/dbraw/zinc/05/53/96/175055396.db2.gz ZPGRJTSTTXBUPV-UHFFFAOYSA-N 1 0 270.760 2.094 10 0 CEAERO C[NH2+][C@@H](CN1C[C@H](C)O[C@@H](C)C1)c1ccccc1OC ZINC000043811292 175110102 /nfs/dbraw/zinc/11/01/02/175110102.db2.gz WJHHLMJMXVRNBD-YDHLFZDLSA-N 1 0 278.396 2.065 10 0 CEAERO C[NH2+][C@@H](CN1C[C@H](C)O[C@@H](C)C1)c1ccc(OC)cc1 ZINC000043811326 175110122 /nfs/dbraw/zinc/11/01/22/175110122.db2.gz JQYVHSFZDLKNJH-XEZPLFJOSA-N 1 0 278.396 2.065 10 0 CEAERO CCN(C[C@@H]([NH2+]C)c1cc(OC)ccc1OC)C1CC1 ZINC000043821373 175114417 /nfs/dbraw/zinc/11/44/17/175114417.db2.gz QZIYZPQYQLQQCF-OAHLLOKOSA-N 1 0 278.396 2.449 10 0 CEAERO CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N1CCC(OC)CC1 ZINC000043890150 175117768 /nfs/dbraw/zinc/11/77/68/175117768.db2.gz PWQSAJRWRPHXHY-CFVMTHIKSA-N 1 0 254.418 2.264 10 0 CEAERO CC[NH2+][C@H](CN1CCOC[C@@H]1C)c1ccc(OC)cc1 ZINC000043891459 175118158 /nfs/dbraw/zinc/11/81/58/175118158.db2.gz SLPBLJOSMUPKEM-XJKSGUPXSA-N 1 0 278.396 2.067 10 0 CEAERO CC[NH2+][C@H]1CCCCC[C@H]1N1CCC(OC)CC1 ZINC000043890167 175118174 /nfs/dbraw/zinc/11/81/74/175118174.db2.gz WIVGINFARQVGLG-LSDHHAIUSA-N 1 0 254.418 2.408 10 0 CEAERO CCC[NH2+][C@H]1CCCC[C@@H]1N1CCC(OC)CC1 ZINC000043890418 175118248 /nfs/dbraw/zinc/11/82/48/175118248.db2.gz WHGKCFNODOERSW-GJZGRUSLSA-N 1 0 254.418 2.408 10 0 CEAERO C[NH2+][C@H](c1ccccc1)[C@@H](C)N1CCOC(C)(C)C1 ZINC000043897606 175120490 /nfs/dbraw/zinc/12/04/90/175120490.db2.gz XSUASYWDYFXXHO-HIFRSBDPSA-N 1 0 262.397 2.446 10 0 CEAERO CC[NH2+][C@@H](CN(C)C1CCOCC1)c1ccc(OC)cc1 ZINC000043898410 175120885 /nfs/dbraw/zinc/12/08/85/175120885.db2.gz GNPLQAAGDKAIBQ-KRWDZBQOSA-N 1 0 292.423 2.457 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2C[C@H]1N(C)C1CCOCC1 ZINC000043898417 175121486 /nfs/dbraw/zinc/12/14/86/175121486.db2.gz AJDSOEVYDSOEBZ-IAGOWNOFSA-N 1 0 274.408 2.373 10 0 CEAERO CC[C@@H]1COCCN1[C@@H]1CCc2ccccc2[C@@H]1[NH2+]C ZINC000043899060 175121550 /nfs/dbraw/zinc/12/15/50/175121550.db2.gz UKVGAHMKBVASHW-OIISXLGYSA-N 1 0 274.408 2.373 10 0 CEAERO CC[NH2+][C@H](CN(C)CC1CC1)c1ccc2c(c1)OCCO2 ZINC000043905941 175122773 /nfs/dbraw/zinc/12/27/73/175122773.db2.gz LEVSQZCLXDRDMM-OAHLLOKOSA-N 1 0 290.407 2.450 10 0 CEAERO CC[NH2+][C@H]1CCOC[C@@H]1N(C)Cc1ccccc1C ZINC000043910294 175123327 /nfs/dbraw/zinc/12/33/27/175123327.db2.gz GQRDZLSBDXWKHR-HOTGVXAUSA-N 1 0 262.397 2.194 10 0 CEAERO C[NH2+][C@H](CN(CCOC)CCOC)c1cc(C)ccc1C ZINC000043912534 175123683 /nfs/dbraw/zinc/12/36/83/175123683.db2.gz BJAAMKABMFYALF-QGZVFWFLSA-N 1 0 294.439 2.159 10 0 CEAERO C[NH2+][C@H]1c2ccccc2CCC[C@@H]1N(C)CCOC ZINC000043915173 175124215 /nfs/dbraw/zinc/12/42/15/175124215.db2.gz BVURQTZWDDYPRS-HOTGVXAUSA-N 1 0 262.397 2.230 10 0 CEAERO CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N(C)C[C@@H]1CCCO1 ZINC000043966031 175127097 /nfs/dbraw/zinc/12/70/97/175127097.db2.gz FTZVJIFIQSVXSN-XQLPTFJDSA-N 1 0 254.418 2.264 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2OC[C@@H]1N(C)C[C@@H]1CCCCO1 ZINC000043966481 175127743 /nfs/dbraw/zinc/12/77/43/175127743.db2.gz YBKHZTAMBXGAPF-JLJPHGGASA-N 1 0 290.407 2.209 10 0 CEAERO CCN(C[C@H]1CCCO1)[C@@H]1COc2ccccc2[C@@H]1[NH2+]C ZINC000043966812 175128110 /nfs/dbraw/zinc/12/81/10/175128110.db2.gz XXOHOWAIUZKHMY-UNEWFSDZSA-N 1 0 290.407 2.209 10 0 CEAERO C[NH2+][C@@H](c1ccccc1)[C@H](C)N(C)Cc1cnn(C)c1 ZINC000043967125 175128279 /nfs/dbraw/zinc/12/82/79/175128279.db2.gz HTUHXKOUTZWSFQ-XJKSGUPXSA-N 1 0 272.396 2.201 10 0 CEAERO C[NH2+][C@H]1CCCCCC[C@@H]1N(C)Cc1cnn(C)c1 ZINC000043967144 175128289 /nfs/dbraw/zinc/12/82/89/175128289.db2.gz WOKSLRRVHSVYKA-GJZGRUSLSA-N 1 0 264.417 2.163 10 0 CEAERO CCC[NH2+][C@@H]1c2ccccc2OC[C@H]1N(C)[C@@H](C)COC ZINC000043969535 175130681 /nfs/dbraw/zinc/13/06/81/175130681.db2.gz ONJLETLKZPEUNQ-YSVLISHTSA-N 1 0 292.423 2.455 10 0 CEAERO CCOc1ccccc1[C@@H](CN(CCOC)C1CC1)[NH2+]C ZINC000043969745 175131141 /nfs/dbraw/zinc/13/11/41/175131141.db2.gz SMCDMDKETULANK-MRXNPFEDSA-N 1 0 292.423 2.457 10 0 CEAERO CC[NH+]1CCN(C[C@@H](O)c2cc3ccccc3o2)CC1 ZINC000044114506 175141606 /nfs/dbraw/zinc/14/16/06/175141606.db2.gz WMEBYTXMRIBFNO-CQSZACIVSA-N 1 0 274.364 2.104 10 0 CEAERO Cc1nc(COc2ccc3c(c2)CCC[C@@H]3[NH3+])no1 ZINC000044732433 175240762 /nfs/dbraw/zinc/24/07/62/175240762.db2.gz RMNJIANQJUIBPK-ZDUSSCGKSA-N 1 0 259.309 2.293 10 0 CEAERO CCN(CC)C(=O)COc1ccc2c(c1)CCC[C@@H]2[NH3+] ZINC000044745005 175241701 /nfs/dbraw/zinc/24/17/01/175241701.db2.gz NAIQRBBXZLJVQV-HNNXBMFYSA-N 1 0 276.380 2.270 10 0 CEAERO CCS(=O)(=O)CCOc1ccc2c(c1)CCC[C@H]2[NH2+]C ZINC000044745340 175241721 /nfs/dbraw/zinc/24/17/21/175241721.db2.gz XRZAGYFGIRWITI-OAHLLOKOSA-N 1 0 297.420 2.097 10 0 CEAERO Oc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CN2CCC1CC2 ZINC000044746749 175242643 /nfs/dbraw/zinc/24/26/43/175242643.db2.gz UCDOBEQVUFGYQA-SJORKVTESA-N 1 0 272.392 2.453 10 0 CEAERO COc1ccccc1CNC(=O)C1(C[NH3+])CCCCC1 ZINC000044762053 175246449 /nfs/dbraw/zinc/24/64/49/175246449.db2.gz ATOZRXMREQHMGU-UHFFFAOYSA-N 1 0 276.380 2.221 10 0 CEAERO Cc1ccc(CN(C)C(=O)C2(C[NH3+])CCCCC2)o1 ZINC000044762653 175246772 /nfs/dbraw/zinc/24/67/72/175246772.db2.gz SAMSTYCDFBZNFP-UHFFFAOYSA-N 1 0 264.369 2.456 10 0 CEAERO [NH3+]CC1(C(=O)N2CCO[C@H]3CCC[C@@H]32)CCCCCC1 ZINC000044764332 175248238 /nfs/dbraw/zinc/24/82/38/175248238.db2.gz NOMBVVIERGJDRJ-KBPBESRZSA-N 1 0 280.412 2.066 10 0 CEAERO [NH3+]CC1(C(=O)N2CCO[C@H]3CCCC[C@H]32)CCCCC1 ZINC000044764346 175248750 /nfs/dbraw/zinc/24/87/50/175248750.db2.gz YQXRMPGLMGFRMU-KGLIPLIRSA-N 1 0 280.412 2.066 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)Nc1cc(OC)cc(OC)c1 ZINC000044798478 175255256 /nfs/dbraw/zinc/25/52/56/175255256.db2.gz ROSCXDVPHOABGA-SNVBAGLBSA-N 1 0 266.341 2.017 10 0 CEAERO C[C@@H](NC(=O)[C@H](C[NH3+])Cc1ccccc1)c1ccncc1 ZINC000044801138 175255385 /nfs/dbraw/zinc/25/53/85/175255385.db2.gz ZXXZBZSTUIDPML-CJNGLKHVSA-N 1 0 283.375 2.076 10 0 CEAERO C[C@H](NC(=O)[C@H](C[NH3+])Cc1ccccc1)c1ccco1 ZINC000044801380 175255548 /nfs/dbraw/zinc/25/55/48/175255548.db2.gz DJRZSPISJIIOGR-JSGCOSHPSA-N 1 0 272.348 2.274 10 0 CEAERO C[C@H](NC(=O)[C@@H](C[NH3+])Cc1ccccc1)c1ccccn1 ZINC000044801184 175255839 /nfs/dbraw/zinc/25/58/39/175255839.db2.gz YVFMJNVWHAAFKD-DZGCQCFKSA-N 1 0 283.375 2.076 10 0 CEAERO CC(C)[C@H](C[NH3+])C(=O)N[C@H](C)c1ccccc1F ZINC000044806333 175256322 /nfs/dbraw/zinc/25/63/22/175256322.db2.gz GAQSBMMRRMXCQA-PWSUYJOCSA-N 1 0 252.333 2.234 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000044806216 175256582 /nfs/dbraw/zinc/25/65/82/175256582.db2.gz DJAJGIWSOFOXFX-PWSUYJOCSA-N 1 0 252.333 2.378 10 0 CEAERO COc1ccc(NC(=O)[C@H](C[NH3+])C(C)C)cc1C ZINC000044806391 175256678 /nfs/dbraw/zinc/25/66/78/175256678.db2.gz JAKMWQMXKXELEK-GFCCVEGCSA-N 1 0 250.342 2.173 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N[C@@H](C)CCc1ccccc1 ZINC000044808350 175256931 /nfs/dbraw/zinc/25/69/31/175256931.db2.gz PEZAYTMXUDFHCO-DZGCQCFKSA-N 1 0 262.397 2.499 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N[C@@H](C)c1cc(C)oc1C ZINC000044808552 175257382 /nfs/dbraw/zinc/25/73/82/175257382.db2.gz UHAKAVHZIVEEHR-CMPLNLGQSA-N 1 0 252.358 2.449 10 0 CEAERO CNC(=O)CC[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000044990477 175286400 /nfs/dbraw/zinc/28/64/00/175286400.db2.gz KCRDANGJXPCMKC-GFCCVEGCSA-N 1 0 297.196 2.162 10 0 CEAERO C[C@H](N)[C@@H](c1cnn(C)c1)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045067054 175299973 /nfs/dbraw/zinc/29/99/73/175299973.db2.gz NXBNMSFXCYRGJI-MAZHCROVSA-N 1 0 276.428 2.463 10 0 CEAERO CCCNC(=O)CCn1c(N)[nH+]c2cc(Cl)ccc21 ZINC000045086393 175303748 /nfs/dbraw/zinc/30/37/48/175303748.db2.gz YUGJIILIGXVUPG-UHFFFAOYSA-N 1 0 280.759 2.188 10 0 CEAERO CCC[N@H+](CC(N)=S)Cc1cccc(OC)c1 ZINC000045093498 175307017 /nfs/dbraw/zinc/30/70/17/175307017.db2.gz KWUMKULGMCWHFU-UHFFFAOYSA-N 1 0 252.383 2.193 10 0 CEAERO CCc1n[nH]c(=S)n1C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000045135885 175313482 /nfs/dbraw/zinc/31/34/82/175313482.db2.gz NSNRZXXVYXNIJC-JTQLQIEISA-N 1 0 254.403 2.233 10 0 CEAERO Cc1c(C)n(C[C@H]2CC[N@@H+](C(C)C)C2)c2ncnc(N)c12 ZINC000045136391 175313874 /nfs/dbraw/zinc/31/38/74/175313874.db2.gz RAMWBOIEBUNNRZ-ZDUSSCGKSA-N 1 0 287.411 2.361 10 0 CEAERO CC(C)[N@@H+]1CC[C@H](CN2Cc3cccc(N)c3C2)C1 ZINC000045136406 175314031 /nfs/dbraw/zinc/31/40/31/175314031.db2.gz WQOSUJNAIMSWBR-CYBMUJFWSA-N 1 0 259.397 2.315 10 0 CEAERO Cc1nn(C)c(C)c1-c1c[nH]c([C@@H]([NH3+])c2ccccc2)n1 ZINC000045169406 175320091 /nfs/dbraw/zinc/32/00/91/175320091.db2.gz NEPZJAUCSFMWAK-HNNXBMFYSA-N 1 0 281.363 2.475 10 0 CEAERO CCN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1c(C)nn(CC)c1C ZINC000045171011 175320334 /nfs/dbraw/zinc/32/03/34/175320334.db2.gz MCOKBJYUDROAKX-YPMHNXCESA-N 1 0 294.443 2.427 10 0 CEAERO CCn1nc(C)c(-c2c[nH]c(C[C@@H]3CCC[NH2+]3)n2)c1C ZINC000045169640 175320631 /nfs/dbraw/zinc/32/06/31/175320631.db2.gz IMGQWNIMUKDOOS-LBPRGKRZSA-N 1 0 273.384 2.204 10 0 CEAERO COC(=O)[C@](C[NH+]1CCCC1)(NC(C)C)c1ccccc1 ZINC000045225723 175332984 /nfs/dbraw/zinc/33/29/84/175332984.db2.gz QFFIKRHNRNXYOQ-QGZVFWFLSA-N 1 0 290.407 2.149 10 0 CEAERO CCN[C@](C)(CC[N@@H+]1CCCC[C@@H]1C)C(=O)OCC ZINC000045227089 175333397 /nfs/dbraw/zinc/33/33/97/175333397.db2.gz NIUKCZJDSXODCD-DZGCQCFKSA-N 1 0 270.417 2.182 10 0 CEAERO COC(=O)[C@](C)(CC[N@@H+]1CCCC[C@@H]1C)NC(C)C ZINC000045227118 175333603 /nfs/dbraw/zinc/33/36/03/175333603.db2.gz MWJVJIQNXNOJFT-ZFWWWQNUSA-N 1 0 270.417 2.181 10 0 CEAERO CCCN[C@](C)(C[N@H+]1[C@H](C)CCC[C@@H]1C)C(=O)OC ZINC000045231791 175335373 /nfs/dbraw/zinc/33/53/73/175335373.db2.gz LXFMOCCIWZLESK-VNHYZAJKSA-N 1 0 270.417 2.181 10 0 CEAERO CCCCC[N@H+](C)C[C@](NCC)(C(N)=O)c1ccccc1 ZINC000045268082 175339618 /nfs/dbraw/zinc/33/96/18/175339618.db2.gz OIZOSZJKUVUGLC-QGZVFWFLSA-N 1 0 291.439 2.099 10 0 CEAERO CCN[C@@](C)(CC[N@H+](C)C[C@@H](C)CC)C(=O)OCC ZINC000045268469 175340494 /nfs/dbraw/zinc/34/04/94/175340494.db2.gz CUNHDDOIJPPODL-ZFWWWQNUSA-N 1 0 272.433 2.286 10 0 CEAERO CCN[C@@](C)(C[N@@H+]1CCC[C@@H](CC)C1)C(=O)OCC ZINC000045270453 175341468 /nfs/dbraw/zinc/34/14/68/175341468.db2.gz AQJFVFYNZDQCPR-HIFRSBDPSA-N 1 0 270.417 2.040 10 0 CEAERO CCOC(=O)[C@@](C)(CC[N@H+](C)C(CC)CC)NC ZINC000045269719 175341507 /nfs/dbraw/zinc/34/15/07/175341507.db2.gz CLUAMWINMHKVKH-CQSZACIVSA-N 1 0 258.406 2.038 10 0 CEAERO CCOC(=O)[C@@](C)(CC[N@H+](C)[C@@H](C)C(C)C)NC1CC1 ZINC000045269980 175341587 /nfs/dbraw/zinc/34/15/87/175341587.db2.gz BEHJDBPFBBUVFN-XJKSGUPXSA-N 1 0 284.444 2.427 10 0 CEAERO CCC(CC)[N@H+](C)C[C@@](N)(C(=O)OC)c1ccccc1 ZINC000045269573 175341838 /nfs/dbraw/zinc/34/18/38/175341838.db2.gz LECQNGSTHBFDRW-INIZCTEOSA-N 1 0 278.396 2.134 10 0 CEAERO CCCC[N@H+](CC[C@](C)([NH2+]C(C)C)C(=O)[O-])C1CC1 ZINC000045276311 175346677 /nfs/dbraw/zinc/34/66/77/175346677.db2.gz DITYNEORYVKXPU-HNNXBMFYSA-N 1 0 270.417 2.482 10 0 CEAERO CCN[C@](C)(CC[N@H+](CC(C)C)C1CC1)C(=O)OCC ZINC000045277562 175347707 /nfs/dbraw/zinc/34/77/07/175347707.db2.gz OVUWOEQGUPYGPH-MRXNPFEDSA-N 1 0 284.444 2.428 10 0 CEAERO CCOC(=O)[C@](N)(C[N@H+](C)CC(C)(C)C)c1ccccc1 ZINC000045279302 175349701 /nfs/dbraw/zinc/34/97/01/175349701.db2.gz VAYRSTWTOUZQAN-KRWDZBQOSA-N 1 0 292.423 2.382 10 0 CEAERO CCCN[C@@](C)(C[N@H+](CC1CC1)C(C)C)C(=O)OC ZINC000045280976 175350741 /nfs/dbraw/zinc/35/07/41/175350741.db2.gz VIAPNHIXGMNOEP-HNNXBMFYSA-N 1 0 270.417 2.038 10 0 CEAERO CCN[C@](C)(C[N@H+](CC1CC1)C(C)C)C(=O)OCC ZINC000045280972 175351079 /nfs/dbraw/zinc/35/10/79/175351079.db2.gz CVYLQNVVBOFLSX-OAHLLOKOSA-N 1 0 270.417 2.038 10 0 CEAERO CCOC(=O)[C@](C)(N)C[N@H+](C)C1CCC(CC)CC1 ZINC000045281090 175351820 /nfs/dbraw/zinc/35/18/20/175351820.db2.gz BPUOJUMNMKXGLX-SSDMNJCBSA-N 1 0 270.417 2.168 10 0 CEAERO CCCN[C@](C)(C[N@H+](C)C1CCC(CC)CC1)C(N)=O ZINC000045281113 175351836 /nfs/dbraw/zinc/35/18/36/175351836.db2.gz IJOAAGHWXJLNGY-ZBCRRDGASA-N 1 0 283.460 2.131 10 0 CEAERO CCCN[C@](C)(C[NH+]1CCC(CC)CC1)C(=O)OCC ZINC000045281389 175351874 /nfs/dbraw/zinc/35/18/74/175351874.db2.gz PTVXSZBYUQTPII-MRXNPFEDSA-N 1 0 284.444 2.430 10 0 CEAERO CCCN[C@@](C)(CC[N@H+](C)CCC(C)C)C(=O)OC ZINC000045281297 175352027 /nfs/dbraw/zinc/35/20/27/175352027.db2.gz RWZFBPVHHMJIET-HNNXBMFYSA-N 1 0 272.433 2.286 10 0 CEAERO CCC1CCC([N@H+](C)C[C@@](C)(NC(C)C)C(N)=O)CC1 ZINC000045281119 175352147 /nfs/dbraw/zinc/35/21/47/175352147.db2.gz ZASMNATYTPOYFW-ZBCRRDGASA-N 1 0 283.460 2.129 10 0 CEAERO CCCC[N@H+](CC[C@](C)(NCC)C(N)=O)[C@@H](C)CC ZINC000045282656 175353505 /nfs/dbraw/zinc/35/35/05/175353505.db2.gz QBEOMQKXYWATOT-ZFWWWQNUSA-N 1 0 271.449 2.131 10 0 CEAERO CCCC[N@H+](C)CCCC[C@@](C)(NC)C(=O)OCC ZINC000045368220 175362815 /nfs/dbraw/zinc/36/28/15/175362815.db2.gz ZJOQAVHDVVJRPZ-OAHLLOKOSA-N 1 0 272.433 2.430 10 0 CEAERO CCCC[N@H+](CC)C[C@@H](NCCC)C(=O)OCC ZINC000045370304 175363892 /nfs/dbraw/zinc/36/38/92/175363892.db2.gz SOEZDCJWQDKJLW-CYBMUJFWSA-N 1 0 258.406 2.040 10 0 CEAERO CCOC(=O)[C@@](C)(N)CCC[NH+]1CCCCCCC1 ZINC000045371544 175364090 /nfs/dbraw/zinc/36/40/90/175364090.db2.gz ABMHQPCHYLLDOT-HNNXBMFYSA-N 1 0 270.417 2.313 10 0 CEAERO CCCC[NH+](CCCC)C[C@@H](NCCC)C(=O)OC ZINC000045380521 175369323 /nfs/dbraw/zinc/36/93/23/175369323.db2.gz ZIJLRHWEOKQFSF-CQSZACIVSA-N 1 0 272.433 2.430 10 0 CEAERO CCC[N@H+](C)CCCC[C@](C)(NCC)C(=O)OC ZINC000045382169 175370320 /nfs/dbraw/zinc/37/03/20/175370320.db2.gz ZIDYOBTZGCAHBS-AWEZNQCLSA-N 1 0 258.406 2.040 10 0 CEAERO CCCN[C@](C)(CCCC[N@H+](C)C1CC1)C(=O)OC ZINC000045383208 175371043 /nfs/dbraw/zinc/37/10/43/175371043.db2.gz CDEKIZPEHGUFHV-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CC[NH2+][C@@](C)(CCCC[N@H+](CC)C1CC1)C(=O)[O-] ZINC000045386291 175371879 /nfs/dbraw/zinc/37/18/79/175371879.db2.gz CHFYWDKNNVTKIM-AWEZNQCLSA-N 1 0 256.390 2.094 10 0 CEAERO CC(C)[NH2+][C@](C)(CCC[N@H+](C)C1CCCC1)C(=O)[O-] ZINC000045384794 175372230 /nfs/dbraw/zinc/37/22/30/175372230.db2.gz CCJJPGFKFJBQSA-OAHLLOKOSA-N 1 0 270.417 2.482 10 0 CEAERO CCC[N@H+](CC)CCCC[C@](C)(NCC)C(=O)OC ZINC000045386902 175373412 /nfs/dbraw/zinc/37/34/12/175373412.db2.gz KDJHTOKDCIVUFQ-HNNXBMFYSA-N 1 0 272.433 2.430 10 0 CEAERO CCOC(=O)[C@](C)(CCC[N@H+](C)C[C@@H](C)CC)NC ZINC000045388645 175373741 /nfs/dbraw/zinc/37/37/41/175373741.db2.gz PRPBGBLOWLCLGL-ZFWWWQNUSA-N 1 0 272.433 2.286 10 0 CEAERO CCOC(=O)[C@H](C[N@H+](CC)C1CCCC1)NC(C)C ZINC000045390368 175374796 /nfs/dbraw/zinc/37/47/96/175374796.db2.gz YHSURFGDWOZFEQ-AWEZNQCLSA-N 1 0 270.417 2.181 10 0 CEAERO CCN[C@@H](C[N@H+](C)C1CCCCCC1)C(=O)OCC ZINC000045419077 175377194 /nfs/dbraw/zinc/37/71/94/175377194.db2.gz NFHLDEQUBYHTME-AWEZNQCLSA-N 1 0 270.417 2.182 10 0 CEAERO COC(=O)[C@H](C[N@H+](C)C1CCCCCC1)NC(C)C ZINC000045419097 175377309 /nfs/dbraw/zinc/37/73/09/175377309.db2.gz POLONNXEIPOLOT-AWEZNQCLSA-N 1 0 270.417 2.181 10 0 CEAERO C[NH2+][C@](C)(CCC[N@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000045419149 175377400 /nfs/dbraw/zinc/37/74/00/175377400.db2.gz UOEVMRGXHNCXIK-OAHLLOKOSA-N 1 0 270.417 2.484 10 0 CEAERO CCOC(=O)[C@](C)([NH3+])CCCN(CC(F)(F)F)C(C)C ZINC000045420509 175379233 /nfs/dbraw/zinc/37/92/33/175379233.db2.gz BNBWEOGCWNVBNV-GFCCVEGCSA-N 1 0 298.349 2.320 10 0 CEAERO COc1ccc(C[NH2+]CCc2c[nH]cn2)cc1Cl ZINC000045946368 175387919 /nfs/dbraw/zinc/38/79/19/175387919.db2.gz FEDOQLZVMWJJJI-UHFFFAOYSA-N 1 0 265.744 2.404 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+][C@H](C)C2(CO)CC2)c1C ZINC000658160861 415237822 /nfs/dbraw/zinc/23/78/22/415237822.db2.gz PRERUGCTZIXJHX-GXFFZTMASA-N 1 0 265.401 2.331 10 0 CEAERO CC(C)CC[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)C1CC1 ZINC000658239839 415275183 /nfs/dbraw/zinc/27/51/83/415275183.db2.gz FVFOSTMZPZHMRP-TZMCWYRMSA-N 1 0 252.402 2.269 10 0 CEAERO C[C@H](NC(=O)[C@H]1CC[C@@H]([NH3+])C1)C1CCC(F)(F)CC1 ZINC000655525199 415327345 /nfs/dbraw/zinc/32/73/45/415327345.db2.gz HOISKBXDESAWAW-ZMLRMANQSA-N 1 0 274.355 2.444 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)N[C@H](C)C1CCC(F)(F)CC1 ZINC000655526395 415328283 /nfs/dbraw/zinc/32/82/83/415328283.db2.gz PTSKQTVXLPERQJ-MWLCHTKSSA-N 1 0 262.344 2.444 10 0 CEAERO O=C([C@@H]1C[C@H]2C[C@H]2C1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000658941659 415367549 /nfs/dbraw/zinc/36/75/49/415367549.db2.gz LOOWDRLTAUVDIA-ARKGTOAJSA-N 1 0 276.424 2.413 10 0 CEAERO Cc1cc(C)nc(N(C)c2cccc(C(N)=[NH2+])c2)n1 ZINC000061952132 175658662 /nfs/dbraw/zinc/65/86/62/175658662.db2.gz MNTNZHGPCRJUOR-UHFFFAOYSA-N 1 0 255.325 2.145 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCC1C[C@H](C)C[C@@H](C)C1 ZINC000659344020 415533981 /nfs/dbraw/zinc/53/39/81/415533981.db2.gz VVWCFQTVYCOELB-HKUMRIAESA-N 1 0 252.402 2.030 10 0 CEAERO C[C@H]1CC(CNC(=O)[C@@]2(C)CCC[NH2+]2)C[C@H](C)C1 ZINC000659344124 415534280 /nfs/dbraw/zinc/53/42/80/415534280.db2.gz YLPSLQHRUICVDJ-LALPHHSUSA-N 1 0 252.402 2.317 10 0 CEAERO CO[C@H](CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C)C1CCCCC1 ZINC000659385156 415554559 /nfs/dbraw/zinc/55/45/59/415554559.db2.gz VTQATTZKDBJECR-BPLDGKMQSA-N 1 0 282.428 2.086 10 0 CEAERO CC(C)[NH2+]CCCC(=O)N1C[C@@H](C)S[C@H](C)C1 ZINC000070386674 175904462 /nfs/dbraw/zinc/90/44/62/175904462.db2.gz JLQFBDJRUKVWOX-VXGBXAGGSA-N 1 0 258.431 2.117 10 0 CEAERO C[NH2+][C@H](Cc1ccccc1F)Cc1cccnc1N ZINC000070407288 175913519 /nfs/dbraw/zinc/91/35/19/175913519.db2.gz GMNRDTNDNYMZJT-CYBMUJFWSA-N 1 0 259.328 2.176 10 0 CEAERO FC(F)(F)c1cnn(C[C@@H]2CC[C@H](C[NH2+]C3CC3)O2)c1 ZINC000070467862 175948003 /nfs/dbraw/zinc/94/80/03/175948003.db2.gz XKGGXNIPCODPGK-NEPJUHHUSA-N 1 0 289.301 2.202 10 0 CEAERO NC(=[NH2+])c1ccnc(Oc2cncc(Br)c2)c1 ZINC000070486897 175954528 /nfs/dbraw/zinc/95/45/28/175954528.db2.gz ASKLOVUUQXJACD-UHFFFAOYSA-N 1 0 293.124 2.315 10 0 CEAERO CCC[NH2+][C@@](CO)(Cn1cc(C(F)(F)F)cn1)C1CC1 ZINC000070515758 175964186 /nfs/dbraw/zinc/96/41/86/175964186.db2.gz WLBGTSIFDYEFPS-GFCCVEGCSA-N 1 0 291.317 2.043 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)CCOc1cccc(N(C)C)c1 ZINC000070516823 175965418 /nfs/dbraw/zinc/96/54/18/175965418.db2.gz POJCWSBTZIKYBT-INIZCTEOSA-N 1 0 280.412 2.271 10 0 CEAERO CC[NH2+]C[C@H](C)Cn1cnc2sc(C)c(C)c2c1=O ZINC000070527183 175971403 /nfs/dbraw/zinc/97/14/03/175971403.db2.gz DHYQUHADROKXFM-VIFPVBQESA-N 1 0 279.409 2.320 10 0 CEAERO CC(C)[NH2+]C[C@H](C)n1cc(I)cn1 ZINC000070678991 176000985 /nfs/dbraw/zinc/00/09/85/176000985.db2.gz NUVRHXLBTPEJIH-QMMMGPOBSA-N 1 0 293.152 2.047 10 0 CEAERO CC(C)[NH2+]Cc1csc(N2CCSCC2)n1 ZINC000070681815 176001514 /nfs/dbraw/zinc/00/15/14/176001514.db2.gz ZDVTYNMHNYMQNV-UHFFFAOYSA-N 1 0 257.428 2.194 10 0 CEAERO [NH3+]Cc1ccnn1Cc1cc(F)ccc1Br ZINC000070708273 176002271 /nfs/dbraw/zinc/00/22/71/176002271.db2.gz NUJDRQZIXIRMJW-UHFFFAOYSA-N 1 0 284.132 2.292 10 0 CEAERO CN(Cc1ccc(F)cc1)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000070726716 176003770 /nfs/dbraw/zinc/00/37/70/176003770.db2.gz BUQXNZQRRUGLIS-JSGCOSHPSA-N 1 0 264.344 2.302 10 0 CEAERO Cc1csc(CNC2=[NH+]C[C@H](C3CC3)S2)n1 ZINC000070888469 176010133 /nfs/dbraw/zinc/01/01/33/176010133.db2.gz XCGJNQYBMZEDFH-SECBINFHSA-N 1 0 253.396 2.423 10 0 CEAERO CCN(Cc1ccc(Br)o1)[C@@H]1CC[NH2+]C1 ZINC000070897989 176010418 /nfs/dbraw/zinc/01/04/18/176010418.db2.gz LVASJQQMXFHXGM-SECBINFHSA-N 1 0 273.174 2.226 10 0 CEAERO Cc1cc(C(=O)N(CC[NH3+])C2CCCC2)ccc1F ZINC000070943634 176016506 /nfs/dbraw/zinc/01/65/06/176016506.db2.gz VCMYJUNUUVCRTB-UHFFFAOYSA-N 1 0 264.344 2.478 10 0 CEAERO C[C@H](Cc1ccc(F)cc1)N1CC[C@@H]([NH2+]C2CC2)C1=O ZINC000071031264 176022532 /nfs/dbraw/zinc/02/25/32/176022532.db2.gz SJZOZMRXHPRTCO-IAQYHMDHSA-N 1 0 276.355 2.110 10 0 CEAERO CC[NH2+][C@@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000071032092 176023099 /nfs/dbraw/zinc/02/30/99/176023099.db2.gz KMEHZTSNUUMTKQ-SMDDNHRTSA-N 1 0 264.344 2.487 10 0 CEAERO Cc1ccc(F)cc1N1CC[C@@H]([NH2+]C(C)C)C1=O ZINC000071033489 176023403 /nfs/dbraw/zinc/02/34/03/176023403.db2.gz AXHSURYTRRLIIG-GFCCVEGCSA-N 1 0 250.317 2.237 10 0 CEAERO CC(C)[NH2+][C@H]1CCN([C@H](C)c2cccc(F)c2)C1=O ZINC000071034919 176024878 /nfs/dbraw/zinc/02/48/78/176024878.db2.gz CQJKMZGYWNEJSK-RISCZKNCSA-N 1 0 264.344 2.486 10 0 CEAERO CCCc1ccccc1N1CC[C@H]([NH2+]C2CC2)C1=O ZINC000071035331 176025348 /nfs/dbraw/zinc/02/53/48/176025348.db2.gz DPZCEFMFEKTEBV-AWEZNQCLSA-N 1 0 258.365 2.496 10 0 CEAERO CC[NH2+][C@@H]1CCCN(c2nc(C3CC3)cs2)C1=O ZINC000071036498 176025908 /nfs/dbraw/zinc/02/59/08/176025908.db2.gz NAPNWTDOSNVNBR-SNVBAGLBSA-N 1 0 265.382 2.125 10 0 CEAERO CC(C)[NH2+][C@H]1CCN(c2ccc3c(c2)OC(F)(F)O3)C1=O ZINC000071037936 176026606 /nfs/dbraw/zinc/02/66/06/176026606.db2.gz VRINPNPJCGUHPQ-JTQLQIEISA-N 1 0 298.289 2.111 10 0 CEAERO CCC[NH2+][C@@H]1CCCN([C@H](C)c2ccco2)C1=O ZINC000071040108 176027127 /nfs/dbraw/zinc/02/71/27/176027127.db2.gz ADWCRXHDJQYEHS-VXGBXAGGSA-N 1 0 250.342 2.331 10 0 CEAERO Cc1cccc(CN2CCC[C@H]([NH2+]C3CC3)C2=O)c1 ZINC000071041277 176028082 /nfs/dbraw/zinc/02/80/82/176028082.db2.gz HGUVVXYZTWXUMP-HNNXBMFYSA-N 1 0 258.365 2.238 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCCN1c1ccc2ncccc2c1 ZINC000071042584 176028670 /nfs/dbraw/zinc/02/86/70/176028670.db2.gz FLHKYVGVFQPHOF-MRXNPFEDSA-N 1 0 281.359 2.482 10 0 CEAERO Cc1cccc(CCN2CC[C@H]([NH2+]C(C)C)C2=O)c1 ZINC000071041980 176028753 /nfs/dbraw/zinc/02/87/53/176028753.db2.gz BLGADSGDKNFWJF-HNNXBMFYSA-N 1 0 260.381 2.136 10 0 CEAERO C[C@@H](c1ccsc1)N1CC[C@H]([NH2+]C2CC2)C1=O ZINC000071042808 176029280 /nfs/dbraw/zinc/02/92/80/176029280.db2.gz QHGDVKYYUMEFQQ-CABZTGNLSA-N 1 0 250.367 2.162 10 0 CEAERO CC[C@@H](CC1CC1)N1CCC[C@H]([NH2+]C2CC2)C1=O ZINC000071043910 176029815 /nfs/dbraw/zinc/02/98/15/176029815.db2.gz UEFZHXQLZBNNGI-KBPBESRZSA-N 1 0 250.386 2.308 10 0 CEAERO CC(C)[NH2+][C@H]1CCCN(Cc2cc(F)ccc2F)C1=O ZINC000071043748 176029938 /nfs/dbraw/zinc/02/99/38/176029938.db2.gz MMRHGODSFWXNOC-AWEZNQCLSA-N 1 0 282.334 2.454 10 0 CEAERO CCCN(C[C@H]1OCCc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000071092215 176031954 /nfs/dbraw/zinc/03/19/54/176031954.db2.gz WIZHAUJFAVNKJH-NVXWUHKLSA-N 1 0 274.408 2.374 10 0 CEAERO CCC(C)(C)[C@@H]([NH3+])c1ccc2c(c1)C(=O)N(C)C(=O)C2 ZINC000071139364 176037894 /nfs/dbraw/zinc/03/78/94/176037894.db2.gz YEZGMLNXPSGVOU-AWEZNQCLSA-N 1 0 274.364 2.277 10 0 CEAERO CCCC[C@H]([NH3+])c1ccc2c(c1)C(=O)N(C)C(=O)C2 ZINC000071139381 176038017 /nfs/dbraw/zinc/03/80/17/176038017.db2.gz ZZRAXZKEENWREX-ZDUSSCGKSA-N 1 0 260.337 2.031 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)c2cccc(Br)c2)C1 ZINC000071139996 176038442 /nfs/dbraw/zinc/03/84/42/176038442.db2.gz KBNDFAVGOMFOKT-LBPRGKRZSA-N 1 0 297.196 2.225 10 0 CEAERO C[NH2+]C[C@H]1CCN([C@@H](C)c2ccc(O)c(OC)c2)C1 ZINC000071141817 176040330 /nfs/dbraw/zinc/04/03/30/176040330.db2.gz NHHJOURWGPDYOK-NWDGAFQWSA-N 1 0 264.369 2.003 10 0 CEAERO COCC[N@H+](CCC(N)=S)[C@@H]1CCC[C@@H](C)C1 ZINC000071148216 176043940 /nfs/dbraw/zinc/04/39/40/176043940.db2.gz CZADAJKLHSCJQL-VXGBXAGGSA-N 1 0 258.431 2.190 10 0 CEAERO CCCOc1cncc(N2CCC[C@H]2C[NH2+]C(C)C)n1 ZINC000071176824 176055379 /nfs/dbraw/zinc/05/53/79/176055379.db2.gz RQZGQFGITFTXQU-ZDUSSCGKSA-N 1 0 278.400 2.232 10 0 CEAERO [NH3+]Cc1ccccc1N[C@H](CO)Cc1ccccc1 ZINC000071187506 176060902 /nfs/dbraw/zinc/06/09/02/176060902.db2.gz DAGXRMWTVSKJIZ-HNNXBMFYSA-N 1 0 256.349 2.161 10 0 CEAERO Cc1ccc(C(=O)[C@H](C)N(C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071189964 176065938 /nfs/dbraw/zinc/06/59/38/176065938.db2.gz DNFUADVQFQZBIU-LSDHHAIUSA-N 1 0 274.408 2.450 10 0 CEAERO CN(C[C@@H]1CC[N@H+](C)C1)c1cc(Cl)ccc1C(N)=S ZINC000071190392 176067187 /nfs/dbraw/zinc/06/71/87/176067187.db2.gz MPAPLIDNSSCCKX-SNVBAGLBSA-N 1 0 297.855 2.362 10 0 CEAERO C[C@@H](O)c1ccc(NC(=O)N(C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071193048 176075063 /nfs/dbraw/zinc/07/50/63/176075063.db2.gz ZFPGUFTZGDPPCD-CHWSQXEVSA-N 1 0 291.395 2.155 10 0 CEAERO CC(C)[NH2+][C@@H]1CCCN(c2cnn(C(C)C)c2)C1 ZINC000071199677 176077086 /nfs/dbraw/zinc/07/70/86/176077086.db2.gz JNJDAVKASNMCTD-CYBMUJFWSA-N 1 0 250.390 2.431 10 0 CEAERO COc1ccc(CCN2CC[C@@H]([NH2+]C3CC3)C2)cc1OC ZINC000071198243 176077137 /nfs/dbraw/zinc/07/71/37/176077137.db2.gz IUTCJVJIFYKXRK-OAHLLOKOSA-N 1 0 290.407 2.073 10 0 CEAERO CC[NH2+][C@H]1CCCN(CCOC2CCCCC2)C1 ZINC000071199912 176077185 /nfs/dbraw/zinc/07/71/85/176077185.db2.gz OBHMNKADUCFHTA-AWEZNQCLSA-N 1 0 254.418 2.410 10 0 CEAERO [NH3+]Cc1cc(F)ccc1Cn1ncc(=O)c2ccccc21 ZINC000071263832 176096635 /nfs/dbraw/zinc/09/66/35/176096635.db2.gz UEKRDTHQEXMGEC-UHFFFAOYSA-N 1 0 283.306 2.043 10 0 CEAERO COC[C@@H](O)C[NH2+]C(c1cccs1)c1cccs1 ZINC000071270919 176104275 /nfs/dbraw/zinc/10/42/75/176104275.db2.gz VMMKVFKHDXLGTD-JTQLQIEISA-N 1 0 283.418 2.496 10 0 CEAERO Cn1ccnc1Cn1ccc2c1CC(C)(C)C[C@@H]2[NH3+] ZINC000071275893 176106542 /nfs/dbraw/zinc/10/65/42/176106542.db2.gz MQQXKPYMVOZING-LBPRGKRZSA-N 1 0 258.369 2.242 10 0 CEAERO CCOC(=O)CCCCC[N@H+](CC)[C@H](C)COC ZINC000071293304 176111605 /nfs/dbraw/zinc/11/16/05/176111605.db2.gz YLUOUJFWGWZGFL-CYBMUJFWSA-N 1 0 259.390 2.467 10 0 CEAERO COc1ccc([C@@H]2C[NH2+]C[C@H](C3CC3)O2)cc1OC ZINC000071308848 176116271 /nfs/dbraw/zinc/11/62/71/176116271.db2.gz QAVZBLLPYGUBNF-CABCVRRESA-N 1 0 263.337 2.143 10 0 CEAERO CCN(Cc1ccc(O)c(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000071312376 176119161 /nfs/dbraw/zinc/11/91/61/176119161.db2.gz IGRIFMGRMCWACS-NSHDSACASA-N 1 0 254.761 2.229 10 0 CEAERO CCN(C(=O)CCc1c[nH]c2ccccc12)[C@@H]1CC[NH2+]C1 ZINC000071312636 176119292 /nfs/dbraw/zinc/11/92/92/176119292.db2.gz MNTHMHPSISAUGB-CQSZACIVSA-N 1 0 285.391 2.311 10 0 CEAERO CCCN(Cc1cn2cccc(C)c2n1)[C@@H]1CC[NH2+]C1 ZINC000071331398 176124847 /nfs/dbraw/zinc/12/48/47/176124847.db2.gz SOBIOECMHOWZRJ-OAHLLOKOSA-N 1 0 272.396 2.217 10 0 CEAERO CCCN(c1cnc2ccccc2n1)[C@@H]1CC[NH2+]C1 ZINC000071332345 176125590 /nfs/dbraw/zinc/12/55/90/176125590.db2.gz HUTHEWHZLIVPTQ-GFCCVEGCSA-N 1 0 256.353 2.208 10 0 CEAERO Cn1nccc1CNc1ccc(N)c2c[nH+]ccc12 ZINC000071333516 176126267 /nfs/dbraw/zinc/12/62/67/176126267.db2.gz GQHMDEHTBCURSE-UHFFFAOYSA-N 1 0 253.309 2.163 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(N2C(=O)c3ccncc3C2=O)cc1 ZINC000071336822 176128428 /nfs/dbraw/zinc/12/84/28/176128428.db2.gz VENYSLRBSXCZHQ-JTQLQIEISA-N 1 0 281.315 2.163 10 0 CEAERO C[C@H]1CCC[NH2+][C@@H]1CNC(=O)c1cccc(F)c1F ZINC000071338797 176128925 /nfs/dbraw/zinc/12/89/25/176128925.db2.gz QUWAZBRDNFPLGF-JOYOIKCWSA-N 1 0 268.307 2.083 10 0 CEAERO COc1ccc(CCC(=O)NC[C@H]2[NH2+]CCC[C@@H]2C)cc1 ZINC000071338633 176128980 /nfs/dbraw/zinc/12/89/80/176128980.db2.gz JZXZTGJGGHFINV-XJKSGUPXSA-N 1 0 290.407 2.132 10 0 CEAERO C[C@H]1CCC[NH2+][C@@H]1CNC(=O)c1cc(F)cc(F)c1 ZINC000071338617 176129015 /nfs/dbraw/zinc/12/90/15/176129015.db2.gz QYANOIDWSCXQRP-TVQRCGJNSA-N 1 0 268.307 2.083 10 0 CEAERO C[C@@H]1CCC[NH2+][C@@H]1CNC(=O)Nc1ccc(F)cc1F ZINC000071338970 176129359 /nfs/dbraw/zinc/12/93/59/176129359.db2.gz IYWUVFZZVRSCKA-NOZJJQNGSA-N 1 0 283.322 2.474 10 0 CEAERO C[C@@H]1CCC[NH2+][C@@H]1CN1C(=O)CC2(CCCC2)CC1=O ZINC000071339277 176129415 /nfs/dbraw/zinc/12/94/15/176129415.db2.gz KJGTXJPVJUGWQI-CHWSQXEVSA-N 1 0 278.396 2.084 10 0 CEAERO CCOCCN1C[C@@H](C(C)C)[NH2+]C[C@@]1(C)C1CC1 ZINC000071342115 176130161 /nfs/dbraw/zinc/13/01/61/176130161.db2.gz XFTFQJHYKWVNLP-GJZGRUSLSA-N 1 0 254.418 2.121 10 0 CEAERO COCCC[N@@H+]1CC(C)(C)NC[C@@H]1Cc1ccccc1 ZINC000071343037 176130822 /nfs/dbraw/zinc/13/08/22/176130822.db2.gz YIVURKQYIXSFTI-INIZCTEOSA-N 1 0 276.424 2.318 10 0 CEAERO CCC[C@H]1C[NH2+][C@H](C(C)(C)C)CN1Cc1cnn(C)c1 ZINC000071346801 176132141 /nfs/dbraw/zinc/13/21/41/176132141.db2.gz GAPYWZPNRYCAOK-GJZGRUSLSA-N 1 0 278.444 2.409 10 0 CEAERO CC(C)[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1CCn1cccn1 ZINC000071347213 176132190 /nfs/dbraw/zinc/13/21/90/176132190.db2.gz LDHFWVCHBVEFMG-HUUCEWRRSA-N 1 0 278.444 2.228 10 0 CEAERO CCC[C@@H]1C[NH2+][C@H](CC(C)C)CN1Cc1ncccn1 ZINC000071350273 176133320 /nfs/dbraw/zinc/13/33/20/176133320.db2.gz XEDZVBSEVVJLQY-HUUCEWRRSA-N 1 0 276.428 2.465 10 0 CEAERO Cc1nccn1CCN1C[C@H](CC(C)C)[NH2+]C[C@@H]1C1CC1 ZINC000071351160 176134556 /nfs/dbraw/zinc/13/45/56/176134556.db2.gz ABSDEHQWMBARGP-DLBZAZTESA-N 1 0 290.455 2.290 10 0 CEAERO CC(C)C[C@H]1C[N@H+](CCCn2ccnc2)[C@H](C2CC2)CN1 ZINC000071351109 176134599 /nfs/dbraw/zinc/13/45/99/176134599.db2.gz PVLUUKVXGPQJRJ-IRXDYDNUSA-N 1 0 290.455 2.372 10 0 CEAERO CC1CCC([N@H+](C)CCCn2ccc(N)n2)CC1 ZINC000071352197 176135114 /nfs/dbraw/zinc/13/51/14/176135114.db2.gz MTOCWWMLLVWJJK-UHFFFAOYSA-N 1 0 250.390 2.366 10 0 CEAERO CC[C@]1(C)C[NH2+][C@H](CC(C)C)CN1CCn1cccn1 ZINC000071351755 176135176 /nfs/dbraw/zinc/13/51/76/176135176.db2.gz JEEDUURZJLANQQ-HZPDHXFCSA-N 1 0 278.444 2.372 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](Cc2ccccc2)CN1CC(F)(F)F ZINC000071352572 176135324 /nfs/dbraw/zinc/13/53/24/176135324.db2.gz AHWMDIICEIJFJD-YPMHNXCESA-N 1 0 272.314 2.454 10 0 CEAERO CC[C@H]1CN[C@H](Cc2ccccc2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000071352819 176135593 /nfs/dbraw/zinc/13/55/93/176135593.db2.gz ZTCASCPKRKSFDF-KSZLIROESA-N 1 0 288.435 2.318 10 0 CEAERO C[C@H]1C[NH2+][C@H](Cc2ccccc2)CN1C[C@@H]1CCCO1 ZINC000071352512 176135731 /nfs/dbraw/zinc/13/57/31/176135731.db2.gz XSMOPRVWOQTSPZ-UAGQMJEPSA-N 1 0 274.408 2.070 10 0 CEAERO CC[C@@H](C)[C@H]1CN(CCn2cccn2)[C@H](C(C)C)C[NH2+]1 ZINC000071354830 176136942 /nfs/dbraw/zinc/13/69/42/176136942.db2.gz VYMSJKOTCHWNBF-OAGGEKHMSA-N 1 0 278.444 2.228 10 0 CEAERO CC[C@H]1C[NH2+][C@@](C)(CC)CN1CCOCC(F)(F)F ZINC000071356591 176136979 /nfs/dbraw/zinc/13/69/79/176136979.db2.gz KLVILLPNSRZAQT-RYUDHWBXSA-N 1 0 282.350 2.418 10 0 CEAERO CCOCC[N@@H+]1CC2(CCCC2)NC[C@@]1(C)C1CC1 ZINC000071359163 176137151 /nfs/dbraw/zinc/13/71/51/176137151.db2.gz POZWZVPCNDTASX-HNNXBMFYSA-N 1 0 266.429 2.410 10 0 CEAERO CC[C@@]1(C)CN(Cc2cnn(C)c2)C2(CCCC2)C[NH2+]1 ZINC000071357993 176137349 /nfs/dbraw/zinc/13/73/49/176137349.db2.gz UDFMPRRHTNYNIJ-HNNXBMFYSA-N 1 0 276.428 2.307 10 0 CEAERO C[C@H]1C[NH2+]C2(CCCC2)CN1Cc1cn2ccccc2n1 ZINC000071358257 176137407 /nfs/dbraw/zinc/13/74/07/176137407.db2.gz IQDSXMWSESIHTH-AWEZNQCLSA-N 1 0 284.407 2.441 10 0 CEAERO CCC[C@H]1C[NH2+]C2(CCCCC2)CN1CCOCCOC ZINC000071359508 176137678 /nfs/dbraw/zinc/13/76/78/176137678.db2.gz CMSCZWRISYRRHE-INIZCTEOSA-N 1 0 298.471 2.426 10 0 CEAERO CC(C)(C)OC(=O)N[C@@H](CCC[NH3+])C(F)(F)F ZINC000071373348 176138869 /nfs/dbraw/zinc/13/88/69/176138869.db2.gz MEEAYJYWIZLZMP-ZETCQYMHSA-N 1 0 256.268 2.181 10 0 CEAERO CCC1(CC)CC[NH+](CCn2ccc(N)n2)CC1 ZINC000071378311 176142929 /nfs/dbraw/zinc/14/29/29/176142929.db2.gz HOLOOSPQEPUVSW-UHFFFAOYSA-N 1 0 250.390 2.368 10 0 CEAERO CC[N@H+](C)CCNc1nc2ccccc2cc1C(N)=S ZINC000071386900 176148034 /nfs/dbraw/zinc/14/80/34/176148034.db2.gz AYUAUCPFMWNDBU-UHFFFAOYSA-N 1 0 288.420 2.233 10 0 CEAERO CCCOCCOc1nc2ccccc2cc1C(N)=[NH2+] ZINC000071390399 176148492 /nfs/dbraw/zinc/14/84/92/176148492.db2.gz VCYVMIGUKHBXLH-UHFFFAOYSA-N 1 0 273.336 2.324 10 0 CEAERO CCOC(=O)[C@](C)(C1CCCCC1)N1CCC[NH2+]CC1 ZINC000071399835 176152060 /nfs/dbraw/zinc/15/20/60/176152060.db2.gz HCQJTQAWKACYGA-INIZCTEOSA-N 1 0 282.428 2.184 10 0 CEAERO CC[C@H](C)NC(=O)[C@H](C)Oc1ccc(C)cc1C[NH2+]C ZINC000071403673 176155301 /nfs/dbraw/zinc/15/53/01/176155301.db2.gz BKPBAPOHUQOFQP-STQMWFEESA-N 1 0 278.396 2.396 10 0 CEAERO CCC[NH2+]Cc1cc(C)ccc1OCC(=O)OC ZINC000071406296 176156015 /nfs/dbraw/zinc/15/60/15/176156015.db2.gz JSVQGZQZWHNVED-UHFFFAOYSA-N 1 0 251.326 2.046 10 0 CEAERO COCC[NH2+]Cc1cc(C)ccc1O[C@@H]1CCCC[C@H]1O ZINC000071407507 176156170 /nfs/dbraw/zinc/15/61/70/176156170.db2.gz FNDWGLZCYRVSGK-NVXWUHKLSA-N 1 0 293.407 2.413 10 0 CEAERO CC[C@H]([NH3+])Cc1cc(C)ccc1O[C@H](C)C(=O)OC ZINC000071412160 176157480 /nfs/dbraw/zinc/15/74/80/176157480.db2.gz ZDWMWMHESNCJMH-YPMHNXCESA-N 1 0 265.353 2.215 10 0 CEAERO CC[C@H]([NH3+])Cc1cc(C)ccc1OCCC(=O)N(C)C ZINC000071412254 176157616 /nfs/dbraw/zinc/15/76/16/176157616.db2.gz TUZMATZHDMHPRO-AWEZNQCLSA-N 1 0 278.396 2.132 10 0 CEAERO CC[NH+](CC)CCn1ccc2cc(OC)ccc2c1=O ZINC000071503266 176192891 /nfs/dbraw/zinc/19/28/91/176192891.db2.gz UAXQEMWLLHFVKS-UHFFFAOYSA-N 1 0 274.364 2.352 10 0 CEAERO CC[NH2+][C@H](C)C(=O)c1ccc(OC)c(C)c1OC ZINC000071573214 176199871 /nfs/dbraw/zinc/19/98/71/176199871.db2.gz MRJVJVXYVMVUNG-SNVBAGLBSA-N 1 0 251.326 2.193 10 0 CEAERO CC(C)Oc1ccc([C@H](O)C[NH2+]C2CC2)cc1F ZINC000071574712 176201575 /nfs/dbraw/zinc/20/15/75/176201575.db2.gz YCUCMMHSYXYVTG-CYBMUJFWSA-N 1 0 253.317 2.398 10 0 CEAERO COc1ccc([C@H](O)[C@H](C)[NH2+]C(C)C)c(OC)c1 ZINC000071574775 176201908 /nfs/dbraw/zinc/20/19/08/176201908.db2.gz WPWHCEUDINNTRI-IINYFYTJSA-N 1 0 253.342 2.124 10 0 CEAERO COc1cc(Cl)c(C)cc1N1CCC[NH2+]CC1 ZINC000071576251 176203548 /nfs/dbraw/zinc/20/35/48/176203548.db2.gz BBRGBACQBPCBOV-UHFFFAOYSA-N 1 0 254.761 2.457 10 0 CEAERO CCOc1ccc(CC[C@H](O)[C@H]2CCC[NH2+]C2)cc1 ZINC000071596029 176219285 /nfs/dbraw/zinc/21/92/85/176219285.db2.gz LQPILNAAJGORIM-HOCLYGCPSA-N 1 0 263.381 2.378 10 0 CEAERO CCOc1ccc(CC[C@H](O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000071596027 176219363 /nfs/dbraw/zinc/21/93/63/176219363.db2.gz LQPILNAAJGORIM-ZBFHGGJFSA-N 1 0 263.381 2.378 10 0 CEAERO [NH3+]CCc1[nH]cnc1-c1cc(Br)cs1 ZINC000071611491 176231855 /nfs/dbraw/zinc/23/18/55/176231855.db2.gz SSQLOAQNCZZFHW-UHFFFAOYSA-N 1 0 272.171 2.402 10 0 CEAERO C[C@H](c1cc(Br)cs1)N1CC[NH2+]CC1 ZINC000071616038 176234883 /nfs/dbraw/zinc/23/48/83/176234883.db2.gz KKGPCUVWHBSWLN-MRVPVSSYSA-N 1 0 275.215 2.477 10 0 CEAERO COc1ccc([C@H]2Cc3n[nH]c(C)c3[C@H]([NH3+])C2)cc1 ZINC000072415382 176399766 /nfs/dbraw/zinc/39/97/66/176399766.db2.gz CAWAASIZQVUZHW-DGCLKSJQSA-N 1 0 257.337 2.457 10 0 CEAERO C[C@@H]1C[N@H+](C[C@@H]2CCC[C@@H](O)C2)C[C@](C)(C(F)F)O1 ZINC000662358585 415798572 /nfs/dbraw/zinc/79/85/72/415798572.db2.gz QGHUWBFQIYRVKE-HKUMRIAESA-N 1 0 277.355 2.282 10 0 CEAERO CC(C)[N@H+](C)C[C@@H](O)CN1CCC(c2nccs2)CC1 ZINC000656701634 415823643 /nfs/dbraw/zinc/82/36/43/415823643.db2.gz ZTYZZWHPFRENNJ-CQSZACIVSA-N 1 0 297.468 2.024 10 0 CEAERO COc1ccc(NC(=O)[C@H](CC[NH3+])C(C)C)cc1 ZINC000076654582 177044575 /nfs/dbraw/zinc/04/45/75/177044575.db2.gz UWAKALFOQLKERF-CYBMUJFWSA-N 1 0 250.342 2.255 10 0 CEAERO CCCN(C(=O)C[NH3+])c1ccc(OC(C)C)cc1 ZINC000076654919 177044941 /nfs/dbraw/zinc/04/49/41/177044941.db2.gz COUMHVQIGCGDBI-UHFFFAOYSA-N 1 0 250.342 2.176 10 0 CEAERO COc1ccc(OC[C@H](C[NH3+])c2ccncc2)cc1 ZINC000076666137 177051225 /nfs/dbraw/zinc/05/12/25/177051225.db2.gz HXRYZLUCGQNMCQ-ZDUSSCGKSA-N 1 0 258.321 2.212 10 0 CEAERO c1cc(NC2CC[NH+](Cc3ccccc3)CC2)n[nH]1 ZINC000076696349 177060300 /nfs/dbraw/zinc/06/03/00/177060300.db2.gz FZVFACVFYMHAEV-UHFFFAOYSA-N 1 0 256.353 2.486 10 0 CEAERO C[C@@H]1CCCCC[N@@H+]1CCCn1cnc2c1ncnc2N ZINC000078748836 177381709 /nfs/dbraw/zinc/38/17/09/177381709.db2.gz YRGKYEVEKHFWGF-GFCCVEGCSA-N 1 0 288.399 2.063 10 0 CEAERO COC(=O)c1cc(NC(=O)CC[C@@H](C)CC[NH3+])ccc1F ZINC000079190338 177441819 /nfs/dbraw/zinc/44/18/19/177441819.db2.gz OOBGPZKIBOCPCC-SNVBAGLBSA-N 1 0 296.342 2.316 10 0 CEAERO CC[C@@H](CC[NH3+])CCC(=O)NC[C@@H](c1ccco1)N(C)C ZINC000079211848 177447709 /nfs/dbraw/zinc/44/77/09/177447709.db2.gz KTSLGYFHUPWNAG-KGLIPLIRSA-N 1 0 295.427 2.154 10 0 CEAERO COCCN(C(=O)CC[C@@H](CC[NH3+])C(C)C)C1CC1 ZINC000079276896 177461262 /nfs/dbraw/zinc/46/12/62/177461262.db2.gz GFBAWDCOMFHEBP-ZDUSSCGKSA-N 1 0 270.417 2.025 10 0 CEAERO C[NH2+][C@@](C)(CCCSc1ccc(Cl)cn1)C(N)=O ZINC000079447878 177491671 /nfs/dbraw/zinc/49/16/71/177491671.db2.gz ZRQQLQFJTKDNKK-LBPRGKRZSA-N 1 0 287.816 2.071 10 0 CEAERO C[C@]1(C(=O)N2CC=C(c3ccccc3)CC2)CCC[NH2+]1 ZINC000079516929 177512602 /nfs/dbraw/zinc/51/26/02/177512602.db2.gz SVDZWHRMVIAJEW-QGZVFWFLSA-N 1 0 270.376 2.444 10 0 CEAERO C[C@]1(C(=O)Nc2nc(C3CC3)cs2)CCC[NH2+]1 ZINC000079520384 177514434 /nfs/dbraw/zinc/51/44/34/177514434.db2.gz XGLFXDYIHDJALN-GFCCVEGCSA-N 1 0 251.355 2.101 10 0 CEAERO C[C@]1(C(=O)N2CCC3(CCCC3)CC2)CCC[NH2+]1 ZINC000079521432 177515146 /nfs/dbraw/zinc/51/51/46/177515146.db2.gz RIDZSVQZUJETHV-CQSZACIVSA-N 1 0 250.386 2.311 10 0 CEAERO CC[C@@](C)([NH3+])c1noc(-c2ccc(Cl)cn2)n1 ZINC000079731241 177545520 /nfs/dbraw/zinc/54/55/20/177545520.db2.gz IEGWYUCIBJCYIK-LLVKDONJSA-N 1 0 252.705 2.369 10 0 CEAERO CC[C@@H](CC(N)=[NH2+])NC(=O)Nc1ccc(F)cc1F ZINC000079780693 177557779 /nfs/dbraw/zinc/55/77/79/177557779.db2.gz KPALKKLRMYCVTL-QMMMGPOBSA-N 1 0 270.283 2.191 10 0 CEAERO CC(C)CCOCC[N@@H+]1CCCC[C@H]1C(N)=S ZINC000079824291 177565451 /nfs/dbraw/zinc/56/54/51/177565451.db2.gz VZAZLXNILSXYRW-LBPRGKRZSA-N 1 0 258.431 2.190 10 0 CEAERO Cc1nn(CCOc2cccc(C[NH3+])c2)cc1Cl ZINC000080009902 177594352 /nfs/dbraw/zinc/59/43/52/177594352.db2.gz YZBWJCZAZSBAKD-UHFFFAOYSA-N 1 0 265.744 2.383 10 0 CEAERO NC(=O)[C@H]1CCC[NH2+][C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000080106040 177609855 /nfs/dbraw/zinc/60/98/55/177609855.db2.gz ONDAIBSKQZLLAK-WDEREUQCSA-N 1 0 272.270 2.231 10 0 CEAERO CC(C)CS(=O)(=O)N[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC000080191505 177622341 /nfs/dbraw/zinc/62/23/41/177622341.db2.gz RXDUIKZDJYKIFN-CYBMUJFWSA-N 1 0 288.457 2.017 10 0 CEAERO [NH3+][C@H]1CCC[C@H](C(=O)N2CCC3(CC3(F)F)CC2)C1 ZINC000405101330 419401624 /nfs/dbraw/zinc/40/16/24/419401624.db2.gz HWINYASBDXPGIM-QWRGUYRKSA-N 1 0 272.339 2.152 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCC2(CC2(F)F)CC1 ZINC000405110013 419402325 /nfs/dbraw/zinc/40/23/25/419402325.db2.gz MVDUGNKHLXRHOD-QWRGUYRKSA-N 1 0 272.339 2.009 10 0 CEAERO COc1ccc(OC)c([C@@H](C)NC(=O)C[C@H]([NH3+])C(C)C)c1 ZINC000136348762 419442902 /nfs/dbraw/zinc/44/29/02/419442902.db2.gz BXRDQSLCFCERLI-RISCZKNCSA-N 1 0 294.395 2.254 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H](C)CCc1ccccc1 ZINC000136437579 419447084 /nfs/dbraw/zinc/44/70/84/419447084.db2.gz HTMOVCBTIDOMLF-DZGCQCFKSA-N 1 0 262.397 2.497 10 0 CEAERO COc1ccc([C@H](C)NC(=O)C[C@@H]([NH3+])C(C)C)cc1 ZINC000136481031 419447389 /nfs/dbraw/zinc/44/73/89/419447389.db2.gz SSBGEPKQNIIEKY-SMDDNHRTSA-N 1 0 264.369 2.246 10 0 CEAERO Cc1cc(N)c(OC(C)C)cc1N1CC[NH+](C)CC1 ZINC000215976478 419461421 /nfs/dbraw/zinc/46/14/21/419461421.db2.gz PLVVFXPZTQAKMT-UHFFFAOYSA-N 1 0 263.385 2.116 10 0 CEAERO C[C@@H]1CC[NH2+]C[C@@H]1N=c1[nH]oc2ccc(Cl)cc21 ZINC000333873624 287620617 /nfs/dbraw/zinc/62/06/17/287620617.db2.gz CEEHZLDMMVZLPG-KCJUWKMLSA-N 1 0 265.744 2.313 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@H]1CCC(C)(C)O1 ZINC000187052299 270253268 /nfs/dbraw/zinc/25/32/68/270253268.db2.gz IXFNURBFQSVRBH-ZIAGYGMSSA-N 1 0 299.459 2.220 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)Cc1ccsc1 ZINC000193269065 262219364 /nfs/dbraw/zinc/21/93/64/262219364.db2.gz KXTBQVXRSGNNLV-CYBMUJFWSA-N 1 0 268.426 2.383 10 0 CEAERO C[C@H](CC[NH2+][C@H]1CCO[C@@H]1C)NC(=O)OC(C)(C)C ZINC000221975129 262319771 /nfs/dbraw/zinc/31/97/71/262319771.db2.gz ZXBYWHKXBSPJKV-UTUOFQBUSA-N 1 0 272.389 2.057 10 0 CEAERO CCOC[C@H](C)[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C ZINC000221977393 262851438 /nfs/dbraw/zinc/85/14/38/262851438.db2.gz RKQJPVBUHGSNRF-NEPJUHHUSA-N 1 0 274.405 2.304 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]C2CC(C)C2)C12CCOCC2 ZINC000186416241 270250066 /nfs/dbraw/zinc/25/00/66/270250066.db2.gz CAAFCQDUPODPFT-CLRIEMFWSA-N 1 0 253.386 2.349 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCOCC2)C12CCOCC2 ZINC000186443693 270250409 /nfs/dbraw/zinc/25/04/09/270250409.db2.gz KBIUXAGQNDOMIL-QLFBSQMISA-N 1 0 283.412 2.119 10 0 CEAERO Cc1ncc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)s1 ZINC000195221860 270307138 /nfs/dbraw/zinc/30/71/38/270307138.db2.gz DHBQWFUWHSDWFR-ZDUSSCGKSA-N 1 0 289.404 2.484 10 0 CEAERO Fc1ccc(Br)c(CNC[C@@H]2CC[NH2+]C2)c1 ZINC000398385193 270357947 /nfs/dbraw/zinc/35/79/47/270357947.db2.gz XDJIIGOZAPCYCQ-SECBINFHSA-N 1 0 287.176 2.287 10 0 CEAERO O[C@@H]1CC[C@H]2C[N@H+](Cc3ccncc3Cl)C[C@@H]2C1 ZINC000398704204 270361350 /nfs/dbraw/zinc/36/13/50/270361350.db2.gz AKJTVEXCKVMJMI-WCFLWFBJSA-N 1 0 266.772 2.328 10 0 CEAERO O[C@@H]1CC[C@@H]2C[N@H+](C[C@H]3Cc4ccccc43)C[C@H]2C1 ZINC000398771575 270363048 /nfs/dbraw/zinc/36/30/48/270363048.db2.gz HDMATWXUBYZFNK-KLHDSHLOSA-N 1 0 257.377 2.419 10 0 CEAERO C[C@@H](NC(=O)[C@H]([NH3+])C1CCC1)c1ccc(F)c(F)c1 ZINC000398968265 270364775 /nfs/dbraw/zinc/36/47/75/270364775.db2.gz SWAWOFRMETZWRL-AMIZOPFISA-N 1 0 268.307 2.269 10 0 CEAERO COc1ccc(C)cc1[C@H](C)NC(=O)[C@H]([NH3+])C1CCC1 ZINC000399094944 270366026 /nfs/dbraw/zinc/36/60/26/270366026.db2.gz XYCJJLPQYUFNEE-XHDPSFHLSA-N 1 0 276.380 2.308 10 0 CEAERO CC1(C)CN(c2ccc(C(F)(F)F)nn2)CC[C@@H]1[NH3+] ZINC000261610119 273585167 /nfs/dbraw/zinc/58/51/67/273585167.db2.gz SFOWCWSBLJSVGY-QMMMGPOBSA-N 1 0 274.290 2.059 10 0 CEAERO COCC[C@@H](C)NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000101777011 274038849 /nfs/dbraw/zinc/03/88/49/274038849.db2.gz GHGACAJSRJAPSN-HIFRSBDPSA-N 1 0 293.411 2.014 10 0 CEAERO Cc1c(Cl)cccc1C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000261567084 274662196 /nfs/dbraw/zinc/66/21/96/274662196.db2.gz ZOSYNJJRXXNNNS-JOYOIKCWSA-N 1 0 252.745 2.210 10 0 CEAERO O[C@@H]1CCCN(C[C@H]2CCC[NH2+]C2)c2ccc(F)cc21 ZINC000262044245 275053494 /nfs/dbraw/zinc/05/34/94/275053494.db2.gz YTTXRWIXIZVXPF-BLLLJJGKSA-N 1 0 278.371 2.459 10 0 CEAERO CC(C)([NH3+])CNC(=O)[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000127539769 275551755 /nfs/dbraw/zinc/55/17/55/275551755.db2.gz LZJCRZZZFKREQJ-ZIAGYGMSSA-N 1 0 276.380 2.008 10 0 CEAERO CCCCOCC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000118196602 275979413 /nfs/dbraw/zinc/97/94/13/275979413.db2.gz GFJWNIKYVKHSMA-OAHLLOKOSA-N 1 0 278.396 2.222 10 0 CEAERO CCOCCC[NH2+][C@H]1CC(=O)N(C)c2ccccc21 ZINC000037214761 276316765 /nfs/dbraw/zinc/31/67/65/276316765.db2.gz HJHGUEGSQCXDDA-ZDUSSCGKSA-N 1 0 262.353 2.110 10 0 CEAERO CCS(=O)(=O)c1ccc(NC[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000227668358 276393983 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CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](CC2CCCC2)C1 ZINC000189313450 277351199 /nfs/dbraw/zinc/35/11/99/277351199.db2.gz RCFXRJCZJVZIOP-QWHCGFSZSA-N 1 0 265.357 2.330 10 0 CEAERO CC(C)C[C@@H]1CCCN(C(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000262177029 277449431 /nfs/dbraw/zinc/44/94/31/277449431.db2.gz YWCCBKQRFRVFFR-DZGCQCFKSA-N 1 0 282.428 2.025 10 0 CEAERO COc1nc2ccccc2nc1N[C@@H]1CCCC[C@H]1[NH3+] ZINC000095071699 277484107 /nfs/dbraw/zinc/48/41/07/277484107.db2.gz KCWGBCHUBKMRTO-GHMZBOCLSA-N 1 0 272.352 2.320 10 0 CEAERO C[C@@H]1CCCN(c2cnc3ccccc3n2)[C@@H]1C[NH3+] ZINC000070178403 277698950 /nfs/dbraw/zinc/69/89/50/277698950.db2.gz IJTNSLQYHNUEQR-BXUZGUMPSA-N 1 0 256.353 2.193 10 0 CEAERO CC(C)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000164717145 277777328 /nfs/dbraw/zinc/77/73/28/277777328.db2.gz FDHRXVJXTKMCSH-UBHSHLNASA-N 1 0 252.402 2.173 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1c(F)cccc1Cl ZINC000261567632 278081684 /nfs/dbraw/zinc/08/16/84/278081684.db2.gz ZYZGKMWTRVXHDS-XCBNKYQSSA-N 1 0 256.708 2.041 10 0 CEAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)C1CCC(F)(F)CC1 ZINC000353244565 278265412 /nfs/dbraw/zinc/26/54/12/278265412.db2.gz ALMVTRNBMLFIGO-AAEUAGOBSA-N 1 0 276.371 2.121 10 0 CEAERO C[C@@H]([NH3+])CC(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000261817908 278305713 /nfs/dbraw/zinc/30/57/13/278305713.db2.gz HPEMGODKILDLPJ-NOZJJQNGSA-N 1 0 250.317 2.057 10 0 CEAERO CC1(C)CN(C(=O)c2c(F)cc(F)cc2F)CC[C@@H]1[NH3+] ZINC000261774190 278319179 /nfs/dbraw/zinc/31/91/79/278319179.db2.gz PARHPLWYJWZERB-NSHDSACASA-N 1 0 286.297 2.303 10 0 CEAERO Cc1c(Br)cccc1C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000261553234 278583217 /nfs/dbraw/zinc/58/32/17/278583217.db2.gz NQGZLVAIDULMMY-SKDRFNHKSA-N 1 0 297.196 2.319 10 0 CEAERO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)C[C@@H]1[NH3+] ZINC000235330869 278668466 /nfs/dbraw/zinc/66/84/66/278668466.db2.gz RBPQXLCKHDTWJF-DBIOUOCHSA-N 1 0 278.318 2.161 10 0 CEAERO Cc1cnc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)o1 ZINC000374175923 279011882 /nfs/dbraw/zinc/01/18/82/279011882.db2.gz URZXIFJDTJWOEA-MJBXVCDLSA-N 1 0 264.369 2.499 10 0 CEAERO CC(C)C[C@@H]1CCCN(C(=O)[C@@H](C)C2C[NH2+]C2)C1 ZINC000262345583 279022842 /nfs/dbraw/zinc/02/28/42/279022842.db2.gz FWYNVNXAZLGEKQ-STQMWFEESA-N 1 0 252.402 2.127 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1ccc(C(F)(F)F)nn1 ZINC000229602289 279033488 /nfs/dbraw/zinc/03/34/88/279033488.db2.gz LNXPHQJIDZHUSW-YUMQZZPRSA-N 1 0 260.263 2.048 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](OC)c1ccccc1 ZINC000177025680 279300306 /nfs/dbraw/zinc/30/03/06/279300306.db2.gz VFHMELIRDNBOSX-HZPDHXFCSA-N 1 0 290.407 2.317 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(F)cc1F ZINC000105872294 279522005 /nfs/dbraw/zinc/52/20/05/279522005.db2.gz FBVRZOHBTPSBRC-GXSJLCMTSA-N 1 0 278.306 2.222 10 0 CEAERO C[C@H]1CCN(C(=O)Nc2ccc(F)cc2)[C@@H](C[NH3+])C1 ZINC000235632900 279702561 /nfs/dbraw/zinc/70/25/61/279702561.db2.gz NDGLPKRCSUCBOX-GXFFZTMASA-N 1 0 265.332 2.417 10 0 CEAERO C[C@H]1CCN(C(=O)c2cccc3c2CCCN3)[C@H](C[NH3+])C1 ZINC000261809216 279712477 /nfs/dbraw/zinc/71/24/77/279712477.db2.gz NGRCJSYDQUCOIM-STQMWFEESA-N 1 0 287.407 2.244 10 0 CEAERO C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2)C[C@H]1[NH3+] ZINC000235687781 279817411 /nfs/dbraw/zinc/81/74/11/279817411.db2.gz DZDFVZOXFJJHMM-GZMMTYOYSA-N 1 0 272.270 2.125 10 0 CEAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCC[S@@](C)=O ZINC000127054852 279851479 /nfs/dbraw/zinc/85/14/79/279851479.db2.gz FESMXKNMVRHJJG-KXBFYZLASA-N 1 0 281.421 2.431 10 0 CEAERO CCOc1ccc2c(c1)OC1(CC[NH2+]CC1)CC2=O ZINC000011849210 279967338 /nfs/dbraw/zinc/96/73/38/279967338.db2.gz HRNORAZTVQMTQT-UHFFFAOYSA-N 1 0 261.321 2.173 10 0 CEAERO CCC[C@H](C(=O)N1C[C@H]2CCCC[C@@H]2C1)[NH+](C)C ZINC000133793101 280005858 /nfs/dbraw/zinc/00/58/58/280005858.db2.gz FTWCFFJXLUKFBR-MGPQQGTHSA-N 1 0 252.402 2.365 10 0 CEAERO CCO[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC)C1)c1ccccc1 ZINC000142192523 280075489 /nfs/dbraw/zinc/07/54/89/280075489.db2.gz UAQNUJPXBIJBIH-HZPDHXFCSA-N 1 0 290.407 2.365 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@H]2CCCN2C)c1C ZINC000154616959 280092978 /nfs/dbraw/zinc/09/29/78/280092978.db2.gz WMLPPNAYBXHVSK-SMDDNHRTSA-N 1 0 264.417 2.265 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)CSC)C12CCOCC2 ZINC000186347236 280128262 /nfs/dbraw/zinc/12/82/62/280128262.db2.gz NZBCKPVTWNDLGP-YNEHKIRRSA-N 1 0 273.442 2.302 10 0 CEAERO C[C@H]1C[N@H+](CCOCC(F)(F)C(F)F)CCS1 ZINC000189110857 280143129 /nfs/dbraw/zinc/14/31/29/280143129.db2.gz XCLVMUJFXWRQIK-QMMMGPOBSA-N 1 0 275.311 2.341 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H](C)C(C)C ZINC000245459032 280241572 /nfs/dbraw/zinc/24/15/72/280241572.db2.gz DEMMSRLTYHCTRB-UONOGXRCSA-N 1 0 269.433 2.404 10 0 CEAERO CCO[C@@H](C)c1noc(CN(C)C[C@@H]2CCC[N@@H+]2CC)n1 ZINC000245457614 280241577 /nfs/dbraw/zinc/24/15/77/280241577.db2.gz CDAUTMJMAFWRPP-STQMWFEESA-N 1 0 296.415 2.083 10 0 CEAERO CC[C@H](CC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](CC)C1)C(C)C ZINC000246982032 280316646 /nfs/dbraw/zinc/31/66/46/280316646.db2.gz UOLHLVXOYJIZMK-ARFHVFGLSA-N 1 0 298.471 2.362 10 0 CEAERO CCS[C@@H]1CCCC[C@H]1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000247069777 280319693 /nfs/dbraw/zinc/31/96/93/280319693.db2.gz PRYWGMFZOATIEQ-MGPQQGTHSA-N 1 0 299.484 2.396 10 0 CEAERO CSC1(CNC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)CCC1 ZINC000248656560 280357794 /nfs/dbraw/zinc/35/77/94/280357794.db2.gz RRHSZPYBZQBKIJ-QWHCGFSZSA-N 1 0 299.484 2.300 10 0 CEAERO Cc1cc(C(=O)N[C@H]2CCCC[C@H]2[NH3+])sc1C ZINC000087568210 280359192 /nfs/dbraw/zinc/35/91/92/280359192.db2.gz LCLNGIHQBSZCOE-MNOVXSKESA-N 1 0 252.383 2.365 10 0 CEAERO CCC[C@H](C)[N@@H+]1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000249279096 280390781 /nfs/dbraw/zinc/39/07/81/280390781.db2.gz MVUSFVVUIFWPMF-UONOGXRCSA-N 1 0 251.374 2.081 10 0 CEAERO CCc1cccc(CN2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c1 ZINC000249298292 280392245 /nfs/dbraw/zinc/39/22/45/280392245.db2.gz NGXZBYYIYUJZTE-GJZGRUSLSA-N 1 0 276.424 2.136 10 0 CEAERO CC(C)c1ccc(N(C)C(=O)C2([NH3+])CCOCC2)cc1 ZINC000261928666 280607115 /nfs/dbraw/zinc/60/71/15/280607115.db2.gz VZWYFOCCFBRUMW-UHFFFAOYSA-N 1 0 276.380 2.281 10 0 CEAERO Cc1ccc(NC(=O)[C@H]2CCC[NH2+][C@H]2C)c(C)c1O ZINC000335534709 280907376 /nfs/dbraw/zinc/90/73/76/280907376.db2.gz KQCDEASMAODWTE-RYUDHWBXSA-N 1 0 262.353 2.336 10 0 CEAERO CCOc1ccc(SCC(=O)N2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC000423639714 281072920 /nfs/dbraw/zinc/07/29/20/281072920.db2.gz JKEUCIONSSKOIL-BXUZGUMPSA-N 1 0 294.420 2.126 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC000423652566 281074345 /nfs/dbraw/zinc/07/43/45/281074345.db2.gz XVAVXSUWKKGZLG-JFGNBEQYSA-N 1 0 278.421 2.435 10 0 CEAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C(C)(C)C)CC2 ZINC000180615113 281526905 /nfs/dbraw/zinc/52/69/05/281526905.db2.gz ZJATXYLREWEUJK-QWRGUYRKSA-N 1 0 250.390 2.180 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)c2cccc(N(C)C)c2)[C@@H](C)C1 ZINC000155427189 289173871 /nfs/dbraw/zinc/17/38/71/289173871.db2.gz YIJYIRPKGFNMPD-BBRMVZONSA-N 1 0 289.423 2.211 10 0 CEAERO CSC[C@H](C)NC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000157186449 289209089 /nfs/dbraw/zinc/20/90/89/289209089.db2.gz CBXAHIGNDRPSCO-QWHCGFSZSA-N 1 0 287.473 2.158 10 0 CEAERO COc1c(C[NH+]2C[C@@H](C)C[C@H](C)C2)c(C)nn1C ZINC000158015551 289226577 /nfs/dbraw/zinc/22/65/77/289226577.db2.gz LLODLYBYZVYOJZ-QWRGUYRKSA-N 1 0 251.374 2.215 10 0 CEAERO CO[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)C1(C)C ZINC000300413958 293973208 /nfs/dbraw/zinc/97/32/08/293973208.db2.gz GBSWLEWGZDWNMG-NZEXEKPDSA-N 1 0 253.386 2.203 10 0 CEAERO [NH3+]CC1(C(=O)N2C[C@H]3CCCC[C@@H]3C2)CCCC1 ZINC000158764853 295220685 /nfs/dbraw/zinc/22/06/85/295220685.db2.gz SBILGPYDTFGGNY-CHWSQXEVSA-N 1 0 250.386 2.154 10 0 CEAERO Nc1n[nH]c2ccc(-c3cccc4c3CC[NH2+]C4)cc12 ZINC000071415787 295343966 /nfs/dbraw/zinc/34/39/66/295343966.db2.gz JRHSFNWRPJSCDL-UHFFFAOYSA-N 1 0 264.332 2.458 10 0 CEAERO O=C(N1CCC([C@@H]2CCCO2)CC1)C12CCC[NH+]1CCC2 ZINC000336010554 295566323 /nfs/dbraw/zinc/56/63/23/295566323.db2.gz ASZHTFQMLRMZQM-HNNXBMFYSA-N 1 0 292.423 2.032 10 0 CEAERO COC[C@H](C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000171522894 297479561 /nfs/dbraw/zinc/47/95/61/297479561.db2.gz AOHWLNBHPXSCMU-AWEZNQCLSA-N 1 0 290.407 2.181 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(Cc3cccnc3C(F)(F)F)C[C@H]12 ZINC000530219770 298055356 /nfs/dbraw/zinc/05/53/56/298055356.db2.gz QOPXXDVUHTVEJX-ADEWGFFLSA-N 1 0 285.313 2.270 10 0 CEAERO C[C@H](CC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)C(C)(C)C ZINC000261577407 298296603 /nfs/dbraw/zinc/29/66/03/298296603.db2.gz OHCARMOXVGSAEO-AGIUHOORSA-N 1 0 252.402 2.127 10 0 CEAERO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CCCC[C@H]1CO ZINC000245957947 298316336 /nfs/dbraw/zinc/31/63/36/298316336.db2.gz MEWFDFDSZWPJDL-FRRDWIJNSA-N 1 0 271.401 2.247 10 0 CEAERO C[C@H](CC(N)=O)[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000124179854 298352398 /nfs/dbraw/zinc/35/23/98/298352398.db2.gz PLJJDNHJHNAOSX-ZYHUDNBSSA-N 1 0 262.353 2.142 10 0 CEAERO Cc1ccc(S(=O)(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])c(C)c1 ZINC000235357072 301679968 /nfs/dbraw/zinc/67/99/68/301679968.db2.gz NAIHDLXBXLXDOJ-TZMCWYRMSA-N 1 0 296.436 2.051 10 0 CEAERO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000262877146 302164087 /nfs/dbraw/zinc/16/40/87/302164087.db2.gz VOCHKCHUGYVGPI-SYAUCNOPSA-N 1 0 272.392 2.213 10 0 CEAERO Cn1cc([C@H]2CCCN2C(=O)c2ccc3c(c2)C[NH2+]C3)cn1 ZINC000262519799 302935950 /nfs/dbraw/zinc/93/59/50/302935950.db2.gz NXXDMTALWVZZJS-MRXNPFEDSA-N 1 0 296.374 2.001 10 0 CEAERO [NH3+]CCCCCCC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000037815392 303374681 /nfs/dbraw/zinc/37/46/81/303374681.db2.gz YARFKEVVSCDPJJ-KGLIPLIRSA-N 1 0 268.401 2.066 10 0 CEAERO C[C@@H](Nc1ccc(C(=O)N(C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000576328322 314264286 /nfs/dbraw/zinc/26/42/86/314264286.db2.gz DRYAPPBWCDOUKX-TZMCWYRMSA-N 1 0 275.396 2.188 10 0 CEAERO Cc1cnc(C)c(N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)n1 ZINC000381056728 321832524 /nfs/dbraw/zinc/83/25/24/321832524.db2.gz LUCMJSWIJIDQJI-LSDHHAIUSA-N 1 0 268.364 2.025 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCSc1ccccc1 ZINC000384257653 321851137 /nfs/dbraw/zinc/85/11/37/321851137.db2.gz OQCSSDIKQDOAEW-GXTWGEPZSA-N 1 0 278.421 2.283 10 0 CEAERO CC(C)n1nccc1[C@H](C[NH3+])C1(CO)CCCC1 ZINC000536953067 330382663 /nfs/dbraw/zinc/38/26/63/330382663.db2.gz GUPXNQGTVIDJJL-LBPRGKRZSA-N 1 0 251.374 2.059 10 0 CEAERO Cn1ccc([C@H]2[NH2+]C[C@]23CCN(C(=O)OC(C)(C)C)C3)c1 ZINC000536958515 330383720 /nfs/dbraw/zinc/38/37/20/330383720.db2.gz GLUIVEHQRVZPJX-CJNGLKHVSA-N 1 0 291.395 2.297 10 0 CEAERO C[C@@H]1C[C@H](C)CN([C@@H]2C[NH2+]C[C@H](C(=O)OC(C)(C)C)C2)C1 ZINC000536960137 330384138 /nfs/dbraw/zinc/38/41/38/330384138.db2.gz PEDYCBZCIPOYTJ-BARDWOONSA-N 1 0 296.455 2.284 10 0 CEAERO CC(C)[NH2+][C@H](CCSCc1ccccc1)C(N)=O ZINC000062598165 519738393 /nfs/dbraw/zinc/73/83/93/519738393.db2.gz YRWDDRVLHLOECT-CYBMUJFWSA-N 1 0 266.410 2.162 10 0 CEAERO CC(C)C[NH2+]CCCN1CCO[C@@H]2CCCC[C@@H]21 ZINC000052573083 519743610 /nfs/dbraw/zinc/74/36/10/519743610.db2.gz APRCERRVTVEKLJ-LSDHHAIUSA-N 1 0 254.418 2.266 10 0 CEAERO CCC[NH2+]CC(=O)NCc1ccccc1C(F)(F)F ZINC000061626894 519908318 /nfs/dbraw/zinc/90/83/18/519908318.db2.gz VEZJYZKYSOKYMT-UHFFFAOYSA-N 1 0 274.286 2.321 10 0 CEAERO CCC[NH2+]C[C@H](CC)Oc1cccc(S(C)(=O)=O)c1 ZINC000052701432 519933070 /nfs/dbraw/zinc/93/30/70/519933070.db2.gz FBIJDTYFULILNJ-LBPRGKRZSA-N 1 0 285.409 2.247 10 0 CEAERO CCC[NH2+]Cc1cnn(CCOCCC(C)C)c1 ZINC000054719551 519965725 /nfs/dbraw/zinc/96/57/25/519965725.db2.gz QJSVLEKNHCOUKQ-UHFFFAOYSA-N 1 0 253.390 2.445 10 0 CEAERO CCC[NH2+]Cc1oc(CN(CCOC)CCOC)cc1C ZINC000052571541 519973097 /nfs/dbraw/zinc/97/30/97/519973097.db2.gz YIEORYJPTYIRJP-UHFFFAOYSA-N 1 0 298.427 2.182 10 0 CEAERO CC[NH2+]Cc1c(C)nc(Cc2ccncc2)nc1C ZINC000054854105 519982626 /nfs/dbraw/zinc/98/26/26/519982626.db2.gz XAJKXBYTMKGIID-UHFFFAOYSA-N 1 0 256.353 2.189 10 0 CEAERO CC[NH2+]C[C@]1(CCCOCC(F)(F)F)CCOC1 ZINC000054664344 519983165 /nfs/dbraw/zinc/98/31/65/519983165.db2.gz LYMOPZXSJBTZDH-NSHDSACASA-N 1 0 269.307 2.362 10 0 CEAERO CC[NH2+]Cc1c(C)nn(C)c1N1CCC[C@@H](C)[C@@H]1C ZINC000050566046 519983595 /nfs/dbraw/zinc/98/35/95/519983595.db2.gz ZKVFLBWGKGLCMN-YPMHNXCESA-N 1 0 264.417 2.463 10 0 CEAERO CCCN[C@@H](CC[N@@H+]1CCCC[C@@H]1C)C(=O)OCC ZINC000062440311 519998086 /nfs/dbraw/zinc/99/80/86/519998086.db2.gz WCQCCHUWJMZZGB-KBPBESRZSA-N 1 0 270.417 2.182 10 0 CEAERO CC[NH2+]Cc1nc(CN2CCO[C@@H]3CCC[C@@H]32)cs1 ZINC000052540074 520021231 /nfs/dbraw/zinc/02/12/31/520021231.db2.gz GUKYMWRASHDFAC-QWHCGFSZSA-N 1 0 281.425 2.006 10 0 CEAERO CC[NH2+]Cc1oc(CN2C[C@H](C)OC[C@@H]2C)cc1C ZINC000052476818 520028018 /nfs/dbraw/zinc/02/80/18/520028018.db2.gz FIONBZCRQLMFQZ-STQMWFEESA-N 1 0 266.385 2.307 10 0 CEAERO CC[NH2+]Cc1sc(N2C[C@@H](C)O[C@H](C)C2)nc1C ZINC000054995448 520034347 /nfs/dbraw/zinc/03/43/47/520034347.db2.gz LPUDFUZEUDFZJA-NXEZZACHSA-N 1 0 269.414 2.175 10 0 CEAERO CCC[NH2+][C@@](C)(C[C@@H](C)n1nc(C)c(C)c1C)C(N)=O ZINC000068649115 520045736 /nfs/dbraw/zinc/04/57/36/520045736.db2.gz AKFHDMLCOHNLSQ-BMIGLBTASA-N 1 0 280.416 2.003 10 0 CEAERO CCCCCCN(CCO)C(=O)[C@]1(CCC)CC[NH2+]C1 ZINC000062896139 520075053 /nfs/dbraw/zinc/07/50/53/520075053.db2.gz HNMUQDBWTJAJCY-MRXNPFEDSA-N 1 0 284.444 2.167 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N(C)CCOc1ccccc1F ZINC000061271881 520162168 /nfs/dbraw/zinc/16/21/68/520162168.db2.gz RQNYKHHVWYEYOO-GFCCVEGCSA-N 1 0 282.359 2.051 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N1CCn2c(C)ccc2[C@@H]1C ZINC000061271707 520164907 /nfs/dbraw/zinc/16/49/07/520164907.db2.gz RSJCGMSQGZTTDU-YPMHNXCESA-N 1 0 263.385 2.088 10 0 CEAERO CCN[C@H](CC[N@H+](CC)CC(CC)CC)C(=O)OC ZINC000062461768 520186516 /nfs/dbraw/zinc/18/65/16/520186516.db2.gz CLWUMLLYAXGGBN-CQSZACIVSA-N 1 0 272.433 2.286 10 0 CEAERO CCNc1cc(C[N@H+](CC)[C@H](C)COC)ccn1 ZINC000052724131 520271448 /nfs/dbraw/zinc/27/14/48/520271448.db2.gz QHFLQBDDXVDCTJ-GFCCVEGCSA-N 1 0 251.374 2.370 10 0 CEAERO CCN(CC(F)(F)F)C(=O)[C@@H]1[C@@H](C)CCC[C@@H]1[NH3+] ZINC000055137072 520417108 /nfs/dbraw/zinc/41/71/08/520417108.db2.gz KRXKTFISTMQIGC-LPEHRKFASA-N 1 0 266.307 2.161 10 0 CEAERO CCCOc1nc(Cl)nc(N[C@@H](C)CC[NH+](C)C)n1 ZINC000061539531 520493884 /nfs/dbraw/zinc/49/38/84/520493884.db2.gz MSKPVPGRHPQZQS-VIFPVBQESA-N 1 0 287.795 2.066 10 0 CEAERO CCO[C@H]1CCCN(c2nc(C)c([C@@H](C)[NH3+])s2)C1 ZINC000054898712 520529438 /nfs/dbraw/zinc/52/94/38/520529438.db2.gz CXVNUBOYVCXRDG-KOLCDFICSA-N 1 0 269.414 2.477 10 0 CEAERO CCOC(=O)CC(=O)C[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000068813959 520590784 /nfs/dbraw/zinc/59/07/84/520590784.db2.gz OCGNIHPCIDTVNS-WCQYABFASA-N 1 0 255.358 2.019 10 0 CEAERO CCOC(=O)[C@@](C)([NH3+])C[C@H](C)n1nc(C)c(CC)c1C ZINC000068649203 521156791 /nfs/dbraw/zinc/15/67/91/521156791.db2.gz VUVOSLRLKYLUNB-BONVTDFDSA-N 1 0 281.400 2.294 10 0 CEAERO CCC(C)(C)[N@H+](C)C[C@@H](O)COc1cccc(N)c1 ZINC000069427885 521305500 /nfs/dbraw/zinc/30/55/00/521305500.db2.gz NFZANSITBLDRHC-CYBMUJFWSA-N 1 0 266.385 2.129 10 0 CEAERO CCCN(CC(F)(F)F)C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000062857082 521586115 /nfs/dbraw/zinc/58/61/15/521586115.db2.gz SPJWZELCVPAKCS-LLVKDONJSA-N 1 0 266.307 2.177 10 0 CEAERO CCOc1nc(N[C@@H](C[NH+](C)C)C(C)C)ccc1N ZINC000049194698 521606010 /nfs/dbraw/zinc/60/60/10/521606010.db2.gz WMLUVDMQYAEASJ-LBPRGKRZSA-N 1 0 266.389 2.061 10 0 CEAERO CCCN(CC[NH2+][C@H](C)[C@@H]1CCCO1)CC(F)(F)F ZINC000053390605 521661629 /nfs/dbraw/zinc/66/16/29/521661629.db2.gz DGMIYKTYEZTOEV-NEPJUHHUSA-N 1 0 282.350 2.418 10 0 CEAERO CCCN(CC[C@H](C[NH3+])OCC)CC(F)(F)F ZINC000062741187 521669950 /nfs/dbraw/zinc/66/99/50/521669950.db2.gz VEROBDSWIZCXSO-SNVBAGLBSA-N 1 0 256.312 2.015 10 0 CEAERO CCCN1C(=O)C[C@@H]([NH2+][C@@H](C)c2ccc(C)s2)C1=O ZINC000049163189 521699701 /nfs/dbraw/zinc/69/97/01/521699701.db2.gz KRZRXLDHYYFZNU-WDEREUQCSA-N 1 0 280.393 2.245 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1Cc1ccc(Cl)cc1N ZINC000061641904 521870774 /nfs/dbraw/zinc/87/07/74/521870774.db2.gz GHVMETRQRNTIID-CYBMUJFWSA-N 1 0 267.804 2.448 10 0 CEAERO C[NH2+]C(C)(C)C(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000061300092 521940420 /nfs/dbraw/zinc/94/04/20/521940420.db2.gz INWJHJCLTJPDOD-UHFFFAOYSA-N 1 0 286.759 2.294 10 0 CEAERO C[NH2+]C[C@H](OC1CCOCC1)c1ccccc1OC ZINC000050486105 522075934 /nfs/dbraw/zinc/07/59/34/522075934.db2.gz GKAXELAYTWXCJW-HNNXBMFYSA-N 1 0 265.353 2.151 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(CC[C@@H](O)C(C)(C)C)CC1 ZINC000055073094 522122241 /nfs/dbraw/zinc/12/22/41/522122241.db2.gz KWFZEEAUCPMCSQ-ZIAGYGMSSA-N 1 0 256.434 2.200 10 0 CEAERO C[NH2+]Cc1cn(CCO[C@H]2C[C@H](C)CC(C)(C)C2)nn1 ZINC000052629348 522146077 /nfs/dbraw/zinc/14/60/77/522146077.db2.gz OFBBBAXIILCGHH-JSGCOSHPSA-N 1 0 280.416 2.229 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C(C)C)C(C)(C)C ZINC000061595153 522342343 /nfs/dbraw/zinc/34/23/43/522342343.db2.gz SKEUXSFBNNULPA-UWVGGRQHSA-N 1 0 286.445 2.396 10 0 CEAERO C[NH2+][C@H](C)c1ccc(NC(=O)NCCSC)cc1 ZINC000069463002 522448248 /nfs/dbraw/zinc/44/82/48/522448248.db2.gz AESHNRPBIYGBDI-SNVBAGLBSA-N 1 0 267.398 2.452 10 0 CEAERO COc1ccccc1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000051536351 534175331 /nfs/dbraw/zinc/17/53/31/534175331.db2.gz VLGUKIXDBKOKNA-CYBMUJFWSA-N 1 0 289.379 2.397 10 0 CEAERO CC(C)(C)[NH2+]Cc1ccnc(Cc2ccncc2)n1 ZINC000054792035 518766539 /nfs/dbraw/zinc/76/65/39/518766539.db2.gz WOXAQCQXESLQQN-UHFFFAOYSA-N 1 0 256.353 2.351 10 0 CEAERO CC(C)(C)[C@H](C[NH3+])Sc1nnc2ccccn21 ZINC000061406067 518957560 /nfs/dbraw/zinc/95/75/60/518957560.db2.gz XNFZXHLYBRGLKE-VIFPVBQESA-N 1 0 250.371 2.195 10 0 CEAERO CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)CN1CCC[NH2+]CC1 ZINC000061270205 518972926 /nfs/dbraw/zinc/97/29/26/518972926.db2.gz WFJCSNOGIJQEGL-LSDHHAIUSA-N 1 0 295.471 2.003 10 0 CEAERO CC(C)(C)c1ccc(OCC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000061708661 519039435 /nfs/dbraw/zinc/03/94/35/519039435.db2.gz XIIFFOSRNJTWCW-CQSZACIVSA-N 1 0 263.381 2.430 10 0 CEAERO CC(C)N(C(=O)[C@H]1CCCCO1)c1ccc(C[NH3+])cc1 ZINC000050958418 519574986 /nfs/dbraw/zinc/57/49/86/519574986.db2.gz GDQHYOPDNWPKBZ-OAHLLOKOSA-N 1 0 276.380 2.456 10 0 CEAERO CC(C)N(CCCO)c1ccc(Cl)cc1C(N)=[NH2+] ZINC000052860154 519645017 /nfs/dbraw/zinc/64/50/17/519645017.db2.gz ZEJOASZGDJSTBH-UHFFFAOYSA-N 1 0 269.776 2.221 10 0 CEAERO CC(C)[N@H+](Cc1cnn(C)c1)Cc1cccc(N)c1 ZINC000050540176 519662580 /nfs/dbraw/zinc/66/25/80/519662580.db2.gz VGBWZPRVLQDOLR-UHFFFAOYSA-N 1 0 258.369 2.413 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)c2csc(C3CC3)n2)[C@@H](C)C1 ZINC000155446288 519698019 /nfs/dbraw/zinc/69/80/19/519698019.db2.gz RPUSSNZTIJQBMX-JQWIXIFHSA-N 1 0 293.436 2.479 10 0 CEAERO CC(C)NC(=O)CC[N@H+](Cc1cccc(N)c1)C1CC1 ZINC000054048599 519702129 /nfs/dbraw/zinc/70/21/29/519702129.db2.gz QPGMSIMRCSWFPH-UHFFFAOYSA-N 1 0 275.396 2.148 10 0 CEAERO CC(C)NC(=O)CCOc1ccc2c(c1)CCC[C@H]2[NH3+] ZINC000054047859 519704151 /nfs/dbraw/zinc/70/41/51/519704151.db2.gz RSEZKVLPJOFGMB-OAHLLOKOSA-N 1 0 276.380 2.316 10 0 CEAERO CC(C)CN(CC(C)C)C(=O)CN1[C@H](C)CCC[C@@H]1C[NH3+] ZINC000070154992 519712681 /nfs/dbraw/zinc/71/26/81/519712681.db2.gz VPWIZOPXMXOWNB-HZPDHXFCSA-N 1 0 297.487 2.329 10 0 CEAERO CC(C)CN(CC(C)C)C(=O)c1cc[nH+]c(NN)c1 ZINC000051094365 519713201 /nfs/dbraw/zinc/71/32/01/519713201.db2.gz RFSDGSJBDCZVCQ-UHFFFAOYSA-N 1 0 264.373 2.121 10 0 CEAERO CC(C)CN(CC(C)C)C(=O)c1ccc(NN)[nH+]c1 ZINC000051094362 519713381 /nfs/dbraw/zinc/71/33/81/519713381.db2.gz UQESYORLGRZGMK-UHFFFAOYSA-N 1 0 264.373 2.121 10 0 CEAERO CC(C)C[NH+](CC[C@@H]([NH2+]C1CC1)C(=O)[O-])CC(C)C ZINC000062454435 519717502 /nfs/dbraw/zinc/71/75/02/519717502.db2.gz WNNUACSAAVPFMN-CQSZACIVSA-N 1 0 270.417 2.196 10 0 CEAERO CC(C)CN1C(=O)C[C@H]([NH3+])[C@@H]1c1ccc(F)cc1F ZINC000070294454 519719525 /nfs/dbraw/zinc/71/95/25/519719525.db2.gz MBPDVGDLWFLHAK-JSGCOSHPSA-N 1 0 268.307 2.222 10 0 CEAERO CC(C)[NH2+]CCCS(=O)(=O)N1c2ccccc2C[C@H]1C ZINC000049641219 519720853 /nfs/dbraw/zinc/72/08/53/519720853.db2.gz MOPJDOFBBPMMSU-CYBMUJFWSA-N 1 0 296.436 2.156 10 0 CEAERO CC(C)[NH2+]CCCc1nnc(Cc2cccc(O)c2)o1 ZINC000050617536 519721393 /nfs/dbraw/zinc/72/13/93/519721393.db2.gz RSPTWPFGLOGABI-UHFFFAOYSA-N 1 0 275.352 2.297 10 0 CEAERO CC(C)[NH2+]CC[C@H](C)N1CCN(c2nccs2)CC1 ZINC000052417722 519722073 /nfs/dbraw/zinc/72/20/73/519722073.db2.gz BKKNAIBOFXEVRN-ZDUSSCGKSA-N 1 0 282.457 2.042 10 0 CEAERO CC(C)[NH2+]C[C@@H]1CCCCN1c1nccn(C(C)C)c1=O ZINC000061775229 519723229 /nfs/dbraw/zinc/72/32/29/519723229.db2.gz FBCLPQOEQSXJKC-AWEZNQCLSA-N 1 0 292.427 2.181 10 0 CEAERO CC(C)[NH2+]Cc1cccc(OC[C@H](O)C(F)(F)F)c1 ZINC000068876141 519727268 /nfs/dbraw/zinc/72/72/68/519727268.db2.gz DCIBRXMMDMOEJD-LBPRGKRZSA-N 1 0 277.286 2.487 10 0 CEAERO CC(C)CN1CC[NH+]([C@H]2CCCCCC[C@H]2O)CC1 ZINC000055080999 519728506 /nfs/dbraw/zinc/72/85/06/519728506.db2.gz PNXUVASBSLOFQF-JKSUJKDBSA-N 1 0 268.445 2.344 10 0 CEAERO CC(C)C[NH+]1CCN(c2c(F)cc(N)cc2F)CC1 ZINC000055085647 519728627 /nfs/dbraw/zinc/72/86/27/519728627.db2.gz SEWJTXJBASNOSA-UHFFFAOYSA-N 1 0 269.339 2.325 10 0 CEAERO CC(C)[NH2+]Cc1nnnn1-c1ccccc1C(C)C ZINC000054744835 519729673 /nfs/dbraw/zinc/72/96/73/519729673.db2.gz IWLFBHOBFQYUFC-UHFFFAOYSA-N 1 0 259.357 2.284 10 0 CEAERO CC(C)N[C@@](C)(C[C@H](C)[N@H+](CC1CC1)C(C)C)C(N)=O ZINC000068637952 519736574 /nfs/dbraw/zinc/73/65/74/519736574.db2.gz GRHVNSFDHUWHFL-BBRMVZONSA-N 1 0 283.460 2.127 10 0 CEAERO CC(C)[NH2+][C@H](CCSC1CCCCC1)C(N)=O ZINC000062601100 519738382 /nfs/dbraw/zinc/73/83/82/519738382.db2.gz AQGQQTQVEPPZRF-GFCCVEGCSA-N 1 0 258.431 2.294 10 0 CEAERO CC(C)[NH2+][C@H](CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)[O-] ZINC000062451517 519738389 /nfs/dbraw/zinc/73/83/89/519738389.db2.gz LDHYMAJHJLPGID-RRFJBIMHSA-N 1 0 282.428 2.340 10 0 CEAERO CC(C)CNC(=O)[C@H](C)Oc1cc(F)ccc1[C@H](C)[NH3+] ZINC000062745669 519740437 /nfs/dbraw/zinc/74/04/37/519740437.db2.gz LOZQZUUVRNEGDZ-QWRGUYRKSA-N 1 0 282.359 2.385 10 0 CEAERO CC(C)C[NH2+]C[C@@H](C)CN1CCN(c2nccs2)CC1 ZINC000052417648 519744604 /nfs/dbraw/zinc/74/46/04/519744604.db2.gz FFZJQGBJBCLUEB-CQSZACIVSA-N 1 0 296.484 2.147 10 0 CEAERO CC(C)C[NH2+]C[C@@H]1CCCCN1c1ccnc(N(C)C)n1 ZINC000068690246 519745072 /nfs/dbraw/zinc/74/50/72/519745072.db2.gz HJMZJBANRJFSAV-AWEZNQCLSA-N 1 0 291.443 2.147 10 0 CEAERO CC(C)C[NH2+]C[C@H]1CCCCN1c1ccnc(N(C)C)n1 ZINC000068690247 519746002 /nfs/dbraw/zinc/74/60/02/519746002.db2.gz HJMZJBANRJFSAV-CQSZACIVSA-N 1 0 291.443 2.147 10 0 CEAERO CC(C)C[NH2+]C[C@H]1CC[C@H](COC[C@@H]2CCCCO2)O1 ZINC000052605257 519746530 /nfs/dbraw/zinc/74/65/30/519746530.db2.gz MEDKXVUCBJHGNC-OWCLPIDISA-N 1 0 285.428 2.365 10 0 CEAERO CC(C)C[NH2+]C[C@]1(Cc2cscn2)CCOC1 ZINC000054666164 519746601 /nfs/dbraw/zinc/74/66/01/519746601.db2.gz LMOXMSQVUHFYCC-CYBMUJFWSA-N 1 0 254.399 2.338 10 0 CEAERO CC(C)C[NH2+]Cc1ccccc1N(C)CC(=O)NC1CC1 ZINC000062737829 519747749 /nfs/dbraw/zinc/74/77/49/519747749.db2.gz ZZEOOOLDOAFDSA-UHFFFAOYSA-N 1 0 289.423 2.147 10 0 CEAERO CC(C)C[NH2+]Cc1ccccc1OCCC(=O)NC1CC1 ZINC000062729484 519747793 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2.307 10 0 CEAERO CC[NH2+]Cc1oc2ccccc2c1Cn1cncn1 ZINC000052575093 520031441 /nfs/dbraw/zinc/03/14/41/520031441.db2.gz DVUJJILILRXCHT-UHFFFAOYSA-N 1 0 256.309 2.182 10 0 CEAERO CCC[NH2+][C@@](C)(CCCN(C)c1ccccc1F)C(N)=O ZINC000050007799 520033761 /nfs/dbraw/zinc/03/37/61/520033761.db2.gz XNGDRZPEXGKSPC-INIZCTEOSA-N 1 0 295.402 2.286 10 0 CEAERO CCC[NH2+][C@@](C)(C[C@H](C)Oc1cccc(F)c1)C(N)=O ZINC000068656718 520046376 /nfs/dbraw/zinc/04/63/76/520046376.db2.gz XKXKPWBMDZELHX-NHYWBVRUSA-N 1 0 282.359 2.227 10 0 CEAERO CCC[NH2+][C@@](C)(C[C@H](C)n1ncc2ccccc21)C(N)=O ZINC000068649729 520046884 /nfs/dbraw/zinc/04/68/84/520046884.db2.gz MLFFRURSZACXOB-LRDDRELGSA-N 1 0 288.395 2.231 10 0 CEAERO CCC[NH2+][C@H](C)C1CCN(c2ccnc(N(C)C)n2)CC1 ZINC000068689913 520061669 /nfs/dbraw/zinc/06/16/69/520061669.db2.gz LTYXNGKWAPQXGZ-CYBMUJFWSA-N 1 0 291.443 2.147 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)NCCc1c[nH]c2ccccc12 ZINC000061273865 520063117 /nfs/dbraw/zinc/06/31/17/520063117.db2.gz 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ZINC000069076890 520087970 /nfs/dbraw/zinc/08/79/70/520087970.db2.gz BDZALWRDVMUABC-CQSZACIVSA-N 1 0 271.364 2.175 10 0 CEAERO CCC[NH2+][C@H](Cn1c2ccccc2nc(C)c1=O)C1CC1 ZINC000069078651 520089186 /nfs/dbraw/zinc/08/91/86/520089186.db2.gz FBXXCWSKPLKLTD-OAHLLOKOSA-N 1 0 285.391 2.483 10 0 CEAERO CCC[NH2+][C@H](Cn1nc(C)ccc1=O)c1ccccc1 ZINC000061810216 520089257 /nfs/dbraw/zinc/08/92/57/520089257.db2.gz XBJPFSJKZYQCGU-OAHLLOKOSA-N 1 0 271.364 2.293 10 0 CEAERO CCC[NH2+][C@H](c1ccc(OC)cc1F)[C@@H]1COCCO1 ZINC000055300780 520090155 /nfs/dbraw/zinc/09/01/55/520090155.db2.gz GSHLRRCFWMPAFN-LSDHHAIUSA-N 1 0 283.343 2.290 10 0 CEAERO CCC[NH2+][C@H]1CCCc2nc(N3CCN(C)CC3)sc21 ZINC000054900331 520094630 /nfs/dbraw/zinc/09/46/30/520094630.db2.gz BQOOAUMPWGZVAC-LBPRGKRZSA-N 1 0 294.468 2.272 10 0 CEAERO CC[NH2+][C@@H](Cc1nc(C)cs1)C1CCOCC1 ZINC000069309913 520108535 /nfs/dbraw/zinc/10/85/35/520108535.db2.gz VLRVODNMBVUMFA-LBPRGKRZSA-N 1 0 254.399 2.399 10 0 CEAERO CC[NH2+][C@@H](c1cc(OC)c(OC)cc1C)[C@H]1COCCO1 ZINC000055300916 520110138 /nfs/dbraw/zinc/11/01/38/520110138.db2.gz SHLSKPXPAUPKJR-CVEARBPZSA-N 1 0 295.379 2.078 10 0 CEAERO CCN(C(=O)c1cc[nH+]c(NN)c1)c1cccc(F)c1 ZINC000051094744 520110351 /nfs/dbraw/zinc/11/03/51/520110351.db2.gz ZGCXZHFAFSNSBZ-UHFFFAOYSA-N 1 0 274.299 2.173 10 0 CEAERO CC[NH2+][C@@H]1CCCc2cc(OC[C@@H](O)COCC)ccc21 ZINC000069275783 520119061 /nfs/dbraw/zinc/11/90/61/520119061.db2.gz FZZNGPIGVZKAQN-WMLDXEAASA-N 1 0 293.407 2.450 10 0 CEAERO CCCN[C@](C[N@H+](C)C[C@@H]1C[C@@H]1C)(C(=O)OCC)C1CC1 ZINC000069233518 520119842 /nfs/dbraw/zinc/11/98/42/520119842.db2.gz LYEVAQJPLYQZIF-ZQIUZPCESA-N 1 0 296.455 2.286 10 0 CEAERO CC[NH2+][C@@H]1CCOC[C@H]1Oc1cccc(F)c1F ZINC000062613454 520120235 /nfs/dbraw/zinc/12/02/35/520120235.db2.gz KTIFFDOYDHPIFR-ZYHUDNBSSA-N 1 0 257.280 2.111 10 0 CEAERO CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1N1CCOCC1 ZINC000054554568 520122869 /nfs/dbraw/zinc/12/28/69/520122869.db2.gz MNBZXXVVVYDTPB-ZNMIVQPWSA-N 1 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QQIQNLPLMUMYNQ-MRXNPFEDSA-N 1 0 282.428 2.038 10 0 CEAERO CCCNc1ccc(C)cc1C(=O)NCCC[NH+](C)C ZINC000053000595 520153885 /nfs/dbraw/zinc/15/38/85/520153885.db2.gz MBJZXCPRPUZHNL-UHFFFAOYSA-N 1 0 277.412 2.498 10 0 CEAERO CC[NH2+][C@@](CO[C@H]1CCCC[C@@H]1CC)(C(N)=O)C1CC1 ZINC000069195899 520157068 /nfs/dbraw/zinc/15/70/68/520157068.db2.gz JPTNVEZJBGGJNL-DUVNUKRYSA-N 1 0 282.428 2.215 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1cccc(-n2cccn2)c1 ZINC000061270120 520170951 /nfs/dbraw/zinc/17/09/51/520170951.db2.gz LPZSRLWDCOFRDV-GFCCVEGCSA-N 1 0 272.352 2.199 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1ccccc1-c1nnc(C)o1 ZINC000061270255 520171137 /nfs/dbraw/zinc/17/11/37/520171137.db2.gz RTJVSWMWRAODGC-SNVBAGLBSA-N 1 0 288.351 2.372 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(OCCO)c(Br)c1 ZINC000061698634 520180027 /nfs/dbraw/zinc/18/00/27/520180027.db2.gz ICEGUKGVBKJNRB-SECBINFHSA-N 1 0 288.185 2.491 10 0 CEAERO CC[NH2+][C@H](CN1CCN(C)c2ccccc21)C1CC1 ZINC000069075872 520198686 /nfs/dbraw/zinc/19/86/86/520198686.db2.gz PMHBIVVJKDBIFV-CQSZACIVSA-N 1 0 259.397 2.331 10 0 CEAERO CC[NH2+][C@H](CS(C)(=O)=O)c1ccc(OC)c(Cl)c1 ZINC000070128752 520201316 /nfs/dbraw/zinc/20/13/16/520201316.db2.gz MEDZEGNUZLQNQH-LLVKDONJSA-N 1 0 291.800 2.044 10 0 CEAERO CC[NH2+][C@H](Cc1ccc(OC)c(OC)c1)c1cnccn1 ZINC000069499693 520203214 /nfs/dbraw/zinc/20/32/14/520203214.db2.gz IZJHLRUGSLMWAJ-CYBMUJFWSA-N 1 0 287.363 2.387 10 0 CEAERO CC[NH2+][C@H](c1ccc(OC)c(C)c1)[C@H]1COCCO1 ZINC000055300292 520207941 /nfs/dbraw/zinc/20/79/41/520207941.db2.gz TTZOLGUHRSAMEA-HUUCEWRRSA-N 1 0 265.353 2.070 10 0 CEAERO CC1(C(=O)NCc2cccc(Cl)c2)CC[NH2+]CC1 ZINC000062839808 520225009 /nfs/dbraw/zinc/22/50/09/520225009.db2.gz ZYVASHGTGIOQGG-UHFFFAOYSA-N 1 0 266.772 2.346 10 0 CEAERO CCN[C@](C)(CCC[N@H+](CC)CC1CC1)C(=O)OC ZINC000069239516 520226770 /nfs/dbraw/zinc/22/67/70/520226770.db2.gz CXKIIIHKKMUNDC-OAHLLOKOSA-N 1 0 270.417 2.040 10 0 CEAERO CCN[C@](C)(C[C@@H](C)[N@H+](C)[C@@H](C)C1CC1)C(=O)OCC ZINC000068625511 520236081 /nfs/dbraw/zinc/23/60/81/520236081.db2.gz QQTGPDMVKUSPLP-DVOMOZLQSA-N 1 0 284.444 2.427 10 0 CEAERO CC[NH2+][C@](C)(C[C@@H](C)Oc1ccc(C)c(C)c1)C(N)=O ZINC000068656041 520236246 /nfs/dbraw/zinc/23/62/46/520236246.db2.gz RSIZTTYVEHAWSN-CZUORRHYSA-N 1 0 278.396 2.314 10 0 CEAERO CCCOCCC(=O)N(CCC[NH3+])c1ccc(C)cc1 ZINC000054433803 520250892 /nfs/dbraw/zinc/25/08/92/520250892.db2.gz CJRMGPUBWDPUKB-UHFFFAOYSA-N 1 0 278.396 2.494 10 0 CEAERO CCNc1ccc(C(=O)N2CC[NH+]([C@@H](C)CC)CC2)cn1 ZINC000055085345 520283120 /nfs/dbraw/zinc/28/31/20/520283120.db2.gz LUIZFWUBKJJENK-ZDUSSCGKSA-N 1 0 290.411 2.070 10 0 CEAERO CC1(C)CC(NC(=O)c2ccc(N)c(F)c2)CC(C)(C)[NH2+]1 ZINC000063010869 520284804 /nfs/dbraw/zinc/28/48/04/520284804.db2.gz BEABLTXJSLVNEO-UHFFFAOYSA-N 1 0 293.386 2.447 10 0 CEAERO CCNc1ccc(CN(C)C2CC[NH+](CC)CC2)cn1 ZINC000050816464 520298278 /nfs/dbraw/zinc/29/82/78/520298278.db2.gz JHLWCNUECKWDKA-UHFFFAOYSA-N 1 0 276.428 2.430 10 0 CEAERO CCNc1ccc(C[N@H+](CC)[C@@H](C)COC)cn1 ZINC000050814972 520300086 /nfs/dbraw/zinc/30/00/86/520300086.db2.gz NHPOSMHCOGBWDW-LBPRGKRZSA-N 1 0 251.374 2.370 10 0 CEAERO CCO[C@@H](C[NH3+])CN(Cc1ccsc1)C1CC1 ZINC000062739692 520308561 /nfs/dbraw/zinc/30/85/61/520308561.db2.gz FCXAWBYMTGDCNP-ZDUSSCGKSA-N 1 0 254.399 2.076 10 0 CEAERO CCO[C@@H]1CCCN(c2cc(C)ccc2C(N)=[NH2+])C1 ZINC000051579513 520321653 /nfs/dbraw/zinc/32/16/53/520321653.db2.gz MCLVYFBIGABOPG-GFCCVEGCSA-N 1 0 261.369 2.284 10 0 CEAERO CCNc1cccc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)n1 ZINC000051071509 520335559 /nfs/dbraw/zinc/33/55/59/520335559.db2.gz NNAYXCVCFUXTRY-CYBMUJFWSA-N 1 0 292.427 2.220 10 0 CEAERO CCNc1ccccc1C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061656059 520338496 /nfs/dbraw/zinc/33/84/96/520338496.db2.gz AZBJDBCFUQQGIL-CYBMUJFWSA-N 1 0 275.396 2.285 10 0 CEAERO CCNc1ncccc1C(=O)N(CC[NH+](C)C)CC(C)C ZINC000050774381 520372165 /nfs/dbraw/zinc/37/21/65/520372165.db2.gz SGXIKQRYFHETOJ-UHFFFAOYSA-N 1 0 292.427 2.173 10 0 CEAERO CCCOc1ccc(NC(=O)CC[NH2+]CC)cc1 ZINC000061299437 520388288 /nfs/dbraw/zinc/38/82/88/520388288.db2.gz HQKHBZNSPCFCFJ-UHFFFAOYSA-N 1 0 250.342 2.414 10 0 CEAERO CCN(CC(C)C)C(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000051126837 520413043 /nfs/dbraw/zinc/41/30/43/520413043.db2.gz SNPHFNXIESQBQW-UHFFFAOYSA-N 1 0 270.764 2.139 10 0 CEAERO CCCOc1ccc([C@@H](CO)NCC[NH+](CC)CC)cc1 ZINC000052920625 520417433 /nfs/dbraw/zinc/41/74/33/520417433.db2.gz URYKPSMDVIVCQI-QGZVFWFLSA-N 1 0 294.439 2.440 10 0 CEAERO CCN(CC(F)(F)F)c1ncc(C[NH2+]C)s1 ZINC000054906090 520422817 /nfs/dbraw/zinc/42/28/17/520422817.db2.gz BMHRBYHIVUCWBT-UHFFFAOYSA-N 1 0 253.293 2.251 10 0 CEAERO CCCOc1cccc(NC(=O)CC[NH2+]CC)c1 ZINC000061291482 520459274 /nfs/dbraw/zinc/45/92/74/520459274.db2.gz TWTNDOAORVXQIC-UHFFFAOYSA-N 1 0 250.342 2.414 10 0 CEAERO CCCOc1cccc([C@H]([NH2+]CC(C)C)C(N)=O)c1 ZINC000052921447 520469168 /nfs/dbraw/zinc/46/91/68/520469168.db2.gz IPWPWIWIAZOPAY-AWEZNQCLSA-N 1 0 264.369 2.247 10 0 CEAERO CC1(C)COCCN1c1ccc(Cl)cc1C(N)=[NH2+] ZINC000052860112 520506730 /nfs/dbraw/zinc/50/67/30/520506730.db2.gz CQSYOXCCIXETAR-UHFFFAOYSA-N 1 0 267.760 2.239 10 0 CEAERO CC1(C)COCCN1c1cc(C(N)=[NH2+])c2ccccc2n1 ZINC000068797872 520507164 /nfs/dbraw/zinc/50/71/64/520507164.db2.gz HNMLSUPRTFQBLW-UHFFFAOYSA-N 1 0 284.363 2.134 10 0 CEAERO CC1(C)COCCN1c1nc(C2CC2)c(C[NH3+])s1 ZINC000069181571 520508129 /nfs/dbraw/zinc/50/81/29/520508129.db2.gz PWTDJPJCZWOSER-UHFFFAOYSA-N 1 0 267.398 2.094 10 0 CEAERO CCO[C@H](C[NH3+])CN1CCc2sccc2[C@@H]1C ZINC000062739835 520518225 /nfs/dbraw/zinc/51/82/25/520518225.db2.gz UUTLGVPTPZQLLV-WDEREUQCSA-N 1 0 254.399 2.031 10 0 CEAERO CCO[C@H]1CCCN(c2nc(C3CC3)c(C[NH3+])s2)C1 ZINC000069181779 520529097 /nfs/dbraw/zinc/52/90/97/520529097.db2.gz HFZKUCJUGJAJCD-NSHDSACASA-N 1 0 281.425 2.485 10 0 CEAERO CCO[C@H]1CCCN(c2nc(CC)c(C[NH2+]C)s2)C1 ZINC000055002366 520529711 /nfs/dbraw/zinc/52/97/11/520529711.db2.gz PMRUNKUAHVKAJR-NSHDSACASA-N 1 0 283.441 2.430 10 0 CEAERO CCN(CC)C(=O)[C@H](C[NH3+])Cc1ccc(F)c(C)c1 ZINC000050544421 520536175 /nfs/dbraw/zinc/53/61/75/520536175.db2.gz JDWXPJPJGXLHNY-ZDUSSCGKSA-N 1 0 266.360 2.120 10 0 CEAERO CCCC[N@H+](CC[C@H](NCCC)C(N)=O)[C@@H](C)CC ZINC000062527578 520538187 /nfs/dbraw/zinc/53/81/87/520538187.db2.gz ZVSPDXPYSLITOC-KBPBESRZSA-N 1 0 271.449 2.131 10 0 CEAERO CCCC[N@H+](CC[C@H](NCC)C(=O)OCC)C1CC1 ZINC000062459037 520539320 /nfs/dbraw/zinc/53/93/20/520539320.db2.gz SCQIVRVLSOPBRS-AWEZNQCLSA-N 1 0 270.417 2.182 10 0 CEAERO CCOC(=O)CC(=O)C[NH+](CC(C)C)CC(C)C ZINC000068813772 520590422 /nfs/dbraw/zinc/59/04/22/520590422.db2.gz DKYJTMJHIKBECY-UHFFFAOYSA-N 1 0 257.374 2.123 10 0 CEAERO CCCCNC(=O)COc1cc(F)ccc1[C@@H](C)[NH3+] ZINC000062745202 520624860 /nfs/dbraw/zinc/62/48/60/520624860.db2.gz VCJQSJAHBXWNQJ-SNVBAGLBSA-N 1 0 268.332 2.141 10 0 CEAERO CCC[C@@H](C)[N@H+](C)C[C@](NCC)(C(=O)OCC)C1CC1 ZINC000069100236 520644595 /nfs/dbraw/zinc/64/45/95/520644595.db2.gz FCSOCCNBQNDOKG-CZUORRHYSA-N 1 0 284.444 2.428 10 0 CEAERO CC[NH+](CC)CCN[C@]1(C(=O)OC)C[C@@H](C)CC[C@@H]1C ZINC000068631278 520689352 /nfs/dbraw/zinc/68/93/52/520689352.db2.gz QAEDJDYHZWPBMA-OFQRWUPVSA-N 1 0 284.444 2.286 10 0 CEAERO CCOC(=O)CC[C@@H]([NH3+])Cc1ccc(F)c(F)c1 ZINC000069605819 520705579 /nfs/dbraw/zinc/70/55/79/520705579.db2.gz YSGLCOPNKAEOBI-SNVBAGLBSA-N 1 0 257.280 2.178 10 0 CEAERO CCOC(=O)CC[C@@H]([NH3+])Cc1cccc2cccnc21 ZINC000069605692 520705977 /nfs/dbraw/zinc/70/59/77/520705977.db2.gz VPXDCHNHNLJLSS-CQSZACIVSA-N 1 0 272.348 2.448 10 0 CEAERO CCC[C@@H]([NH3+])[C@H](CC)S(=O)(=O)c1ccccc1 ZINC000061702549 520727071 /nfs/dbraw/zinc/72/70/71/520727071.db2.gz WBHOZLYUJJXKGL-OLZOCXBDSA-N 1 0 255.383 2.366 10 0 CEAERO CCOc1cc(C[C@H]([NH3+])CC)ccc1OCCC(=O)OC ZINC000069318788 520733684 /nfs/dbraw/zinc/73/36/84/520733684.db2.gz LGOFMQPSJDGPRH-CYBMUJFWSA-N 1 0 295.379 2.307 10 0 CEAERO CCC[C@@H]([NH2+][C@@H](C)C(=O)NCCOC)c1cccs1 ZINC000049545054 520786953 /nfs/dbraw/zinc/78/69/53/520786953.db2.gz UYLWSVZEYPDBJL-NWDGAFQWSA-N 1 0 284.425 2.330 10 0 CEAERO CCCCOCCOCc1cc(C[NH2+]CC)no1 ZINC000052628951 520790732 /nfs/dbraw/zinc/79/07/32/520790732.db2.gz YOWWFBRWVKQYMR-UHFFFAOYSA-N 1 0 256.346 2.117 10 0 CEAERO CCOC(=O)COc1cccc(C[NH2+]CC(C)C)c1 ZINC000062731506 520806086 /nfs/dbraw/zinc/80/60/86/520806086.db2.gz CXIVOLDNZZFRMS-UHFFFAOYSA-N 1 0 265.353 2.374 10 0 CEAERO CCOC(=O)C[C@@H](C)[NH2+]CCCOc1ccccc1 ZINC000052092197 520836334 /nfs/dbraw/zinc/83/63/34/520836334.db2.gz GDDKGOMYDVAZPX-CYBMUJFWSA-N 1 0 265.353 2.387 10 0 CEAERO CCC[C@@H]1CN(CCOCCOC)C2(CCCC2)C[NH2+]1 ZINC000068702286 520838893 /nfs/dbraw/zinc/83/88/93/520838893.db2.gz PZZKVHLHAFFZGS-OAHLLOKOSA-N 1 0 284.444 2.036 10 0 CEAERO CC1CCC(NC(=O)[C@H]2CC[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000055124524 520951738 /nfs/dbraw/zinc/95/17/38/520951738.db2.gz QMZMULNFRWGZMW-WHWAKUBCSA-N 1 0 252.402 2.445 10 0 CEAERO CC[N@H+](CC1CC1)C[C@](NC)(C(=O)OC)c1ccccc1 ZINC000069239447 520957296 /nfs/dbraw/zinc/95/72/96/520957296.db2.gz AOIMNAYNAABRFJ-QGZVFWFLSA-N 1 0 290.407 2.006 10 0 CEAERO CC[N@H+](CC1CC1)[C@H](C)C(=O)Nc1ccc(F)cc1N ZINC000069236907 520967407 /nfs/dbraw/zinc/96/74/07/520967407.db2.gz VDNHDMKEMZEYGL-SNVBAGLBSA-N 1 0 279.359 2.467 10 0 CEAERO CCN(CC1CC1)[C@@H](C[NH3+])c1cccc(OC)c1OC ZINC000069237394 520969277 /nfs/dbraw/zinc/96/92/77/520969277.db2.gz KYKYLKJKEHSMEO-AWEZNQCLSA-N 1 0 278.396 2.436 10 0 CEAERO CCCC[C@@H](C[NH2+]CC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000052952093 521048928 /nfs/dbraw/zinc/04/89/28/521048928.db2.gz DWDBGFZZEFBWRB-UONOGXRCSA-N 1 0 275.458 2.473 10 0 CEAERO CCC[C@H](C)NC(=O)[C@H](C)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063190405 521053982 /nfs/dbraw/zinc/05/39/82/521053982.db2.gz BLNHVABWBJAEAO-YHUYYLMFSA-N 1 0 295.471 2.286 10 0 CEAERO CCOc1ccc(NC(=O)[C@@H](C)C2C[NH2+]C2)c(C)c1 ZINC000164135483 521101320 /nfs/dbraw/zinc/10/13/20/521101320.db2.gz TUBMQORTSVOZFH-NSHDSACASA-N 1 0 262.353 2.188 10 0 CEAERO CCCC[C@H](C)NC(=O)COc1ccc(C[NH3+])cc1 ZINC000050886694 521143805 /nfs/dbraw/zinc/14/38/05/521143805.db2.gz HWGFITBFFDIHFM-LBPRGKRZSA-N 1 0 264.369 2.219 10 0 CEAERO CCOC(=O)[C@@](C[N@H+](C)C(C)C)(NC(C)C)C1CC1 ZINC000069095460 521165111 /nfs/dbraw/zinc/16/51/11/521165111.db2.gz ZLRXVYQPJMPFII-HNNXBMFYSA-N 1 0 270.417 2.037 10 0 CEAERO CCOC(=O)[C@@]([NH3+])(CSCc1ccco1)C1CC1 ZINC000069184340 521173471 /nfs/dbraw/zinc/17/34/71/521173471.db2.gz JSMPIQAFMPYROW-CYBMUJFWSA-N 1 0 269.366 2.183 10 0 CEAERO CCCC[C@H](CC)COCC[C@@H]([NH2+]CC)C(N)=O ZINC000062543022 521180208 /nfs/dbraw/zinc/18/02/08/521180208.db2.gz OLVSGHFWKXGMFT-QWHCGFSZSA-N 1 0 258.406 2.073 10 0 CEAERO CCOC(=O)[C@H](CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)NC ZINC000062451387 521244914 /nfs/dbraw/zinc/24/49/14/521244914.db2.gz MBFPYMFQGVKRIE-ZNMIVQPWSA-N 1 0 282.428 2.040 10 0 CEAERO CCOC(=O)[C@H](C[N@@H+]1CCCC(C)(C)C1)NC(C)C ZINC000069516580 521249931 /nfs/dbraw/zinc/24/99/31/521249931.db2.gz WDPOKXWBRCMQSJ-ZDUSSCGKSA-N 1 0 270.417 2.038 10 0 CEAERO CCC[C@]1(C(=O)N(C)Cc2csc(C)n2)CC[NH2+]C1 ZINC000062902472 521297489 /nfs/dbraw/zinc/29/74/89/521297489.db2.gz PSVCLSUZZRPPRH-AWEZNQCLSA-N 1 0 281.425 2.190 10 0 CEAERO CCC(C)(C)N(C)c1c(C[C@@H](C)[NH3+])c(C)nn1C ZINC000069444077 521311074 /nfs/dbraw/zinc/31/10/74/521311074.db2.gz BXAOOVAPSGDJIJ-SNVBAGLBSA-N 1 0 252.406 2.243 10 0 CEAERO CCOC(=O)[C@](C)([NH3+])C[C@H](C)OCCOc1ccccc1 ZINC000068653709 521329626 /nfs/dbraw/zinc/32/96/26/521329626.db2.gz HBLMRNSXMPHQDD-XJKSGUPXSA-N 1 0 295.379 2.141 10 0 CEAERO CCOC(=O)[C@](C[N@H+](C)C(C)(C)CC)(NC)C1CC1 ZINC000069446962 521337520 /nfs/dbraw/zinc/33/75/20/521337520.db2.gz ZIDCIOGUTXDBMJ-OAHLLOKOSA-N 1 0 270.417 2.038 10 0 CEAERO CCOC(=O)[C@](C[N@@H+]1CCCC1(C)C)(NC1CC1)C1CC1 ZINC000069232868 521340508 /nfs/dbraw/zinc/34/05/08/521340508.db2.gz BFIUEPNASBCLDP-QGZVFWFLSA-N 1 0 294.439 2.325 10 0 CEAERO CCCc1cc(N2CCC[C@@H]2C[NH2+]C(C)C)ncn1 ZINC000053694426 521367529 /nfs/dbraw/zinc/36/75/29/521367529.db2.gz RNXOMHRVIZPLKS-CQSZACIVSA-N 1 0 262.401 2.396 10 0 CEAERO CCOc1cccc(C[C@@H]([NH3+])CC)c1OCCC(=O)OC ZINC000069318880 521380915 /nfs/dbraw/zinc/38/09/15/521380915.db2.gz JDWZCBAYDXUESP-ZDUSSCGKSA-N 1 0 295.379 2.307 10 0 CEAERO CCOc1cccc(OC[C@H]2CC[C@H](C[NH2+]C)O2)c1 ZINC000052594232 521402467 /nfs/dbraw/zinc/40/24/67/521402467.db2.gz JWRBMXVDCBMZDO-HUUCEWRRSA-N 1 0 265.353 2.231 10 0 CEAERO CCOc1cccc(O[C@@H]2CC3(CC[C@H]2[NH3+])OCCO3)c1 ZINC000051846241 521403631 /nfs/dbraw/zinc/40/36/31/521403631.db2.gz YEROTIJHTWZTCC-HUUCEWRRSA-N 1 0 293.363 2.087 10 0 CEAERO CCCN(C(=O)C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000062810260 521414245 /nfs/dbraw/zinc/41/42/45/521414245.db2.gz LVXVNOODZJNHHX-ULKQDVFKSA-N 1 0 264.291 2.070 10 0 CEAERO CCN(Cc1ccoc1C[NH2+]C)CC(F)(F)F ZINC000052503070 521424446 /nfs/dbraw/zinc/42/44/46/521424446.db2.gz YIOWUIAZPUILAI-UHFFFAOYSA-N 1 0 250.264 2.383 10 0 CEAERO CCN(c1c(C[NH2+]C(C)(C)C)c(C)nn1C)[C@@H](C)COC ZINC000062737880 521477709 /nfs/dbraw/zinc/47/77/09/521477709.db2.gz DXCBADOIWGKBOX-LBPRGKRZSA-N 1 0 296.459 2.478 10 0 CEAERO CCCc1nc(N2C[C@@H](C)OC[C@@H]2C)sc1C[NH2+]C ZINC000054997295 521534298 /nfs/dbraw/zinc/53/42/98/521534298.db2.gz MKWUOHWKAJFJQT-WDEREUQCSA-N 1 0 283.441 2.429 10 0 CEAERO CCCc1nc2cc(N)ccc2n1[C@H]1CC[N@H+](C)C1 ZINC000052854683 521541914 /nfs/dbraw/zinc/54/19/14/521541914.db2.gz CUIXGXPFMJECHK-LBPRGKRZSA-N 1 0 258.369 2.448 10 0 CEAERO CCC(CC)[N@H+](CCCC[C@@](C)([NH3+])C(=O)[O-])CCOC ZINC000045426610 521551842 /nfs/dbraw/zinc/55/18/42/521551842.db2.gz XBJFJKYYNYDDEN-OAHLLOKOSA-N 1 0 288.432 2.096 10 0 CEAERO CCC(CC)N(CCOC)C(=O)[C@H]1[C@@H](C)CCC[C@@H]1[NH3+] ZINC000055133768 521556336 /nfs/dbraw/zinc/55/63/36/521556336.db2.gz SBHCZHJFLMVCFJ-QEJZJMRPSA-N 1 0 284.444 2.414 10 0 CEAERO CCC(CC)N(CCOC)C(=O)[C@@H]1CCC[C@@H](C)[C@@H]1[NH3+] ZINC000055133745 521556821 /nfs/dbraw/zinc/55/68/21/521556821.db2.gz SRZUHJQPXHPQPD-YUELXQCFSA-N 1 0 284.444 2.414 10 0 CEAERO CCC(CC)[C@@H](C)NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000070256923 521601549 /nfs/dbraw/zinc/60/15/49/521601549.db2.gz XYZZXEPMRHDURZ-YPMHNXCESA-N 1 0 252.402 2.317 10 0 CEAERO CCOc1ncccc1NC(=O)CCC1CC[NH2+]CC1 ZINC000050944383 521622698 /nfs/dbraw/zinc/62/26/98/521622698.db2.gz PYDURYOQZMQLHL-UHFFFAOYSA-N 1 0 277.368 2.199 10 0 CEAERO CCCn1c(Sc2cccc(F)c2[C@H](C)[NH3+])n[nH]c1=O ZINC000061595909 521636118 /nfs/dbraw/zinc/63/61/18/521636118.db2.gz FNKYJAHYLGYATO-QMMMGPOBSA-N 1 0 296.371 2.291 10 0 CEAERO CCCn1cnnc1C1(c2ccccc2)CC[NH2+]CC1 ZINC000054498043 521663473 /nfs/dbraw/zinc/66/34/73/521663473.db2.gz RYWMGOCNMOFBCA-UHFFFAOYSA-N 1 0 270.380 2.358 10 0 CEAERO CCCn1nccc1-c1cc(OC)c(OC)cc1C[NH3+] ZINC000069469010 521671960 /nfs/dbraw/zinc/67/19/60/521671960.db2.gz GIYZTXKBULRVRH-UHFFFAOYSA-N 1 0 275.352 2.436 10 0 CEAERO CCS(=O)(=O)c1ccc(N2CCCC[C@@H]2CC[NH3+])cc1 ZINC000070073877 521688930 /nfs/dbraw/zinc/68/89/30/521688930.db2.gz LBBZOIQZCFFUAV-CYBMUJFWSA-N 1 0 296.436 2.188 10 0 CEAERO CCCN1C(=O)C[C@@H]([NH2+][C@@H](C)c2ccccc2C)C1=O ZINC000049525494 521699577 /nfs/dbraw/zinc/69/95/77/521699577.db2.gz RSCFNJYLZBMHGQ-GXTWGEPZSA-N 1 0 274.364 2.183 10 0 CEAERO CCCN1C(=O)C[C@H]([NH3+])[C@H]1c1ccc(Br)o1 ZINC000062209727 521699719 /nfs/dbraw/zinc/69/97/19/521699719.db2.gz FPKZPZPDRHCBLY-CPCISQLKSA-N 1 0 287.157 2.053 10 0 CEAERO CC[NH+]1CCN(c2cccc(Cl)c2C(N)=S)CC1 ZINC000052904280 521700277 /nfs/dbraw/zinc/70/02/77/521700277.db2.gz ZLSOEKRFABGAPU-UHFFFAOYSA-N 1 0 283.828 2.116 10 0 CEAERO CCCN1C(=O)C[C@H]([NH2+][C@H]2CCCc3sccc32)C1=O ZINC000061361939 521700627 /nfs/dbraw/zinc/70/06/27/521700627.db2.gz UQWPTXNAIONRHB-RYUDHWBXSA-N 1 0 292.404 2.253 10 0 CEAERO CCNC(=O)CCOc1ccc(C[NH2+]C(C)C)cc1OC ZINC000051757050 521736049 /nfs/dbraw/zinc/73/60/49/521736049.db2.gz XRFJVPCRGDRUMT-UHFFFAOYSA-N 1 0 294.395 2.098 10 0 CEAERO CCNC(=O)[C@H](C)Oc1ccccc1C[NH2+]CC(C)C ZINC000062729401 521745720 /nfs/dbraw/zinc/74/57/20/521745720.db2.gz SHSXCFIXNGMSMV-ZDUSSCGKSA-N 1 0 278.396 2.336 10 0 CEAERO COc1c(C)cnc(COC2CCC([NH3+])CC2)c1C ZINC000055142830 521814891 /nfs/dbraw/zinc/81/48/91/521814891.db2.gz SNSKOGKNCQRCGF-UHFFFAOYSA-N 1 0 264.369 2.494 10 0 CEAERO COCC[C@@H]([NH3+])C(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000052808531 521815918 /nfs/dbraw/zinc/81/59/18/521815918.db2.gz SAEIFEXEIVYCSN-ZWNOBZJWSA-N 1 0 284.787 2.223 10 0 CEAERO C[NH+](C)CCn1c2ccc(N)cc2nc1C(C)(C)C ZINC000052842604 521817600 /nfs/dbraw/zinc/81/76/00/521817600.db2.gz BPTNRIMQLHHFGK-UHFFFAOYSA-N 1 0 260.385 2.478 10 0 CEAERO COCC[C@@H]([NH3+])CN(Cc1ccsc1)C1CC1 ZINC000052810848 521830567 /nfs/dbraw/zinc/83/05/67/521830567.db2.gz YZTQNRLGUHIPIH-GFCCVEGCSA-N 1 0 254.399 2.076 10 0 CEAERO COCC[C@@H]([NH3+])c1nc(-c2ccc(OC)c(F)c2)c[nH]1 ZINC000052811220 521833873 /nfs/dbraw/zinc/83/38/73/521833873.db2.gz ARGUYYOLHYRDFW-LLVKDONJSA-N 1 0 279.315 2.261 10 0 CEAERO C[NH+](C)C[C@@H]1CCCN1CC(=O)c1cc(F)ccc1F ZINC000061645651 521835152 /nfs/dbraw/zinc/83/51/52/521835152.db2.gz CXEDXSAUKSCJIX-LBPRGKRZSA-N 1 0 282.334 2.174 10 0 CEAERO C[NH+](C)C[C@H](NC(=O)c1cscn1)c1ccccc1 ZINC000062663111 521858234 /nfs/dbraw/zinc/85/82/34/521858234.db2.gz MDHCCCHVWSXLEU-LBPRGKRZSA-N 1 0 275.377 2.176 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1c1ccc(Br)cn1 ZINC000061655921 521874418 /nfs/dbraw/zinc/87/44/18/521874418.db2.gz RPUUGZVZGNYASX-LLVKDONJSA-N 1 0 284.201 2.375 10 0 CEAERO CCc1ccccc1OC[C@]([NH2+]C1CC1)(C(N)=O)C1CC1 ZINC000069197964 521922495 /nfs/dbraw/zinc/92/24/95/521922495.db2.gz NFLRCRMYBYLTHZ-QGZVFWFLSA-N 1 0 288.391 2.014 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N(C)Cc1ccccc1Br ZINC000061316825 521931682 /nfs/dbraw/zinc/93/16/82/521931682.db2.gz ZKICGBZQZSICDM-UHFFFAOYSA-N 1 0 299.212 2.406 10 0 CEAERO C[NH2+]C(C)(C)C(=O)NCc1cccc2ccccc21 ZINC000061319264 521937235 /nfs/dbraw/zinc/93/72/35/521937235.db2.gz QCFMPVZKSMCVGQ-UHFFFAOYSA-N 1 0 256.349 2.454 10 0 CEAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 ZINC000061318546 521941114 /nfs/dbraw/zinc/94/11/14/521941114.db2.gz KYKCHVYWCPAKSV-UHFFFAOYSA-N 1 0 291.395 2.151 10 0 CEAERO C[NH2+]CCCc1c(C)nc(-c2cccnc2)nc1C ZINC000054837384 522000593 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ZINC000055068372 522127180 /nfs/dbraw/zinc/12/71/80/522127180.db2.gz AVKKEAIPNPMEFL-CQSZACIVSA-N 1 0 290.407 2.424 10 0 CEAERO C[NH2+]Cc1ccccc1Cn1nnc2ccccc21 ZINC000052576726 522136088 /nfs/dbraw/zinc/13/60/88/522136088.db2.gz CJTNGKODAVLRSP-UHFFFAOYSA-N 1 0 252.321 2.199 10 0 CEAERO C[NH2+]Cc1nnnn1C(c1ccccc1)c1ccccc1 ZINC000054745168 522156378 /nfs/dbraw/zinc/15/63/78/522156378.db2.gz ZTPAXOUMRXCOEG-UHFFFAOYSA-N 1 0 279.347 2.030 10 0 CEAERO C[NH2+]Cc1sc(N(C)C2CCOCC2)nc1C1CC1 ZINC000069179947 522164146 /nfs/dbraw/zinc/16/41/46/522164146.db2.gz MDKVGJALMRJALP-UHFFFAOYSA-N 1 0 281.425 2.355 10 0 CEAERO C[NH2+]Cc1sc(N2CCCO[C@@H](C)C2)nc1C1CC1 ZINC000069182164 522166964 /nfs/dbraw/zinc/16/69/64/522166964.db2.gz OHHUYTJUJFEZSL-JTQLQIEISA-N 1 0 281.425 2.355 10 0 CEAERO CC[C@@H](C)NC(=O)c1ccccc1NC(=O)C(C)(C)[NH2+]C ZINC000061300263 522223061 /nfs/dbraw/zinc/22/30/61/522223061.db2.gz RNCPROIDEIZZHI-LLVKDONJSA-N 1 0 291.395 2.151 10 0 CEAERO CN(C)c1ccc([C@@H](O)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000054682932 522245200 /nfs/dbraw/zinc/24/52/00/522245200.db2.gz ANBLNQIKZPXWPE-JKSUJKDBSA-N 1 0 256.349 2.486 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(F)cc1OCCC(=O)OC ZINC000069317631 522331573 /nfs/dbraw/zinc/33/15/73/522331573.db2.gz ZFWSQGUXXKFBNK-VIFPVBQESA-N 1 0 255.289 2.048 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(OC[C@H](O)C(F)(F)F)cc1 ZINC000068876355 522334667 /nfs/dbraw/zinc/33/46/67/522334667.db2.gz CAPYBWOINRWUMV-KWQFWETISA-N 1 0 263.259 2.269 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(Sc2nnnn2C)c(Cl)c1 ZINC000061699939 522335171 /nfs/dbraw/zinc/33/51/71/522335171.db2.gz WGZQMWRWANIBHC-ZETCQYMHSA-N 1 0 283.788 2.295 10 0 CEAERO CC[C@H]([NH3+])Cc1noc(C2(c3ccccc3)CC2)n1 ZINC000061618616 522337197 /nfs/dbraw/zinc/33/71/97/522337197.db2.gz IPFCSMXQCDJSBC-LBPRGKRZSA-N 1 0 257.337 2.429 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1cc(C)nn1C)c1cnn(C)c1 ZINC000052308962 522338478 /nfs/dbraw/zinc/33/84/78/522338478.db2.gz REBVCWQJTANVBR-AAEUAGOBSA-N 1 0 279.413 2.033 10 0 CEAERO CC[C@H]([NH3+])[C@@](O)(c1cccc(F)c1F)C(F)(F)F ZINC000070098421 522342038 /nfs/dbraw/zinc/34/20/38/522342038.db2.gz DYOYGEBIFDDOMW-WPRPVWTQSA-N 1 0 269.213 2.452 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccncc1)N1CCC[C@@H]1CCCO ZINC000052757222 522346410 /nfs/dbraw/zinc/34/64/10/522346410.db2.gz KXMAMQVNXFEJAO-PMPSAXMXSA-N 1 0 277.412 2.097 10 0 CEAERO CC[C@H]([NH3+])c1ccc(OCC(=O)N(C)C2CC2)cc1 ZINC000049303768 522346730 /nfs/dbraw/zinc/34/67/30/522346730.db2.gz XGSVERAMKQVKTR-AWEZNQCLSA-N 1 0 262.353 2.096 10 0 CEAERO C[NH2+][C@@H](CS(C)(=O)=O)c1ccc(CC(C)C)cc1 ZINC000054930249 522357551 /nfs/dbraw/zinc/35/75/51/522357551.db2.gz GYYNDEKZQKAAOL-AWEZNQCLSA-N 1 0 269.410 2.190 10 0 CEAERO CN(C)c1nccc(N(CCC(N)=[NH2+])c2ccccc2)n1 ZINC000068690054 522360638 /nfs/dbraw/zinc/36/06/38/522360638.db2.gz YTHVAOPLEXFRKY-UHFFFAOYSA-N 1 0 284.367 2.007 10 0 CEAERO C[NH2+][C@@H](c1c(OC)cc(OC)cc1OC)C1CCOCC1 ZINC000061671637 522365514 /nfs/dbraw/zinc/36/55/14/522365514.db2.gz KGSVETCPBFORNI-MRXNPFEDSA-N 1 0 295.379 2.400 10 0 CEAERO C[NH2+][C@@H](c1cnccn1)c1cncc2ccccc21 ZINC000069269845 522375089 /nfs/dbraw/zinc/37/50/89/522375089.db2.gz ACRXCCYQKZQHCF-OAHLLOKOSA-N 1 0 250.305 2.334 10 0 CEAERO C[NH2+][C@@H]1COc2cc(OCCCn3ccnc3)ccc21 ZINC000062804001 522398560 /nfs/dbraw/zinc/39/85/60/522398560.db2.gz ZLLFEYAGLHCXRJ-CQSZACIVSA-N 1 0 273.336 2.005 10 0 CEAERO C[NH2+][C@@H]1CCc2c1cccc2OCC(=O)N1CCCCC1 ZINC000062799398 522398999 /nfs/dbraw/zinc/39/89/99/522398999.db2.gz IZHKRBNUBKYNJH-OAHLLOKOSA-N 1 0 288.391 2.285 10 0 CEAERO C[NH2+][C@@](COc1cc(C)ccc1C(C)C)(C(N)=O)C1CC1 ZINC000069197191 522427128 /nfs/dbraw/zinc/42/71/28/522427128.db2.gz FAANGBANSIRIRX-QGZVFWFLSA-N 1 0 290.407 2.351 10 0 CEAERO C[NH2+][C@H](C)c1cnn(CCCOCC(F)(F)F)c1 ZINC000054721028 522453239 /nfs/dbraw/zinc/45/32/39/522453239.db2.gz ODVNPAJZFBQXHA-SECBINFHSA-N 1 0 265.279 2.133 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)NCc1ccccc1C(F)(F)F ZINC000061626534 522529262 /nfs/dbraw/zinc/52/92/62/522529262.db2.gz YFHNNHFGAMSMLY-VIFPVBQESA-N 1 0 274.286 2.307 10 0 CEAERO CC[C@@H](C[NH2+]C1CC1)[C@H]1CS(=O)(=O)c2ccccc21 ZINC000052973870 522545678 /nfs/dbraw/zinc/54/56/78/522545678.db2.gz QXELNUHONYOZKX-SMDDNHRTSA-N 1 0 279.405 2.336 10 0 CEAERO CNc1cc(C[N@H+](CCOC)[C@@H](C)C2CC2)ccn1 ZINC000052728540 522564383 /nfs/dbraw/zinc/56/43/83/522564383.db2.gz QNMGNKKYWHQOGG-LBPRGKRZSA-N 1 0 263.385 2.370 10 0 CEAERO COc1cc(F)c([C@@H]([NH3+])[C@H]2CCCCO2)cc1OC ZINC000061560339 522584365 /nfs/dbraw/zinc/58/43/65/522584365.db2.gz RKTGUYYMOSAZSE-BXUZGUMPSA-N 1 0 269.316 2.412 10 0 CEAERO CN(CC1CC1)[C@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062710238 522632428 /nfs/dbraw/zinc/63/24/28/522632428.db2.gz CETZPVVJENVNDD-GFCCVEGCSA-N 1 0 258.287 2.446 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc2c(cc1OC1CCOCC1)OCO2 ZINC000069310753 522642535 /nfs/dbraw/zinc/64/25/35/522642535.db2.gz GRNCIDUREHXVGT-GFCCVEGCSA-N 1 0 293.363 2.253 10 0 CEAERO CC[C@@H]([NH3+])[C@](O)(c1ccc(F)cc1F)C(F)(F)F ZINC000062784612 522655983 /nfs/dbraw/zinc/65/59/83/522655983.db2.gz JUYQBSSLNYTEQL-NXEZZACHSA-N 1 0 269.213 2.452 10 0 CEAERO CC[C@@H]([NH3+])[C@](O)(c1ccc(OC)c(OC)c1)C(F)(F)F ZINC000062784322 522656502 /nfs/dbraw/zinc/65/65/02/522656502.db2.gz SMNNJZKGHWYJOB-VXGBXAGGSA-N 1 0 293.285 2.191 10 0 CEAERO CC[C@@H]([NH3+])c1ccc(OC[C@H](O)C(F)(F)F)cc1 ZINC000068875657 522656538 /nfs/dbraw/zinc/65/65/38/522656538.db2.gz HSNJOUFVVDKLRF-MNOVXSKESA-N 1 0 263.259 2.398 10 0 CEAERO CC[C@@H]([NH3+])c1noc(-c2ccc(OC)c(F)c2)n1 ZINC000061669619 522657932 /nfs/dbraw/zinc/65/79/32/522657932.db2.gz LGTSYHIUTCTLBJ-SECBINFHSA-N 1 0 251.261 2.294 10 0 CEAERO CNc1ncccc1CN(CC[NH+](C)C)CC(C)C ZINC000052723855 522709788 /nfs/dbraw/zinc/70/97/88/522709788.db2.gz AVRGIJDQKLQDBQ-UHFFFAOYSA-N 1 0 264.417 2.143 10 0 CEAERO CCc1nnc(NC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)s1 ZINC000150690216 522763776 /nfs/dbraw/zinc/76/37/76/522763776.db2.gz HSOUJCYZKGXWLN-VHSXEESVSA-N 1 0 282.413 2.065 10 0 CEAERO CC[C@@H]([NH2+]C)c1ccccc1OCCC(=O)OC ZINC000069317017 522806835 /nfs/dbraw/zinc/80/68/35/522806835.db2.gz HYMPYZFHBUUPLK-GFCCVEGCSA-N 1 0 251.326 2.299 10 0 CEAERO CN(CCN1CCC[NH2+]CC1)Cc1ccccc1Cl ZINC000061275210 522831579 /nfs/dbraw/zinc/83/15/79/522831579.db2.gz DEGJAHBRXYZZQV-UHFFFAOYSA-N 1 0 281.831 2.067 10 0 CEAERO COc1cc(OC)c([C@H](O)[C@@H]([NH3+])CC(C)C)cc1OC ZINC000054929589 522833838 /nfs/dbraw/zinc/83/38/38/522833838.db2.gz IQGXLCMWGTVKOU-NHYWBVRUSA-N 1 0 283.368 2.119 10 0 CEAERO COc1cc(OC)cc(OCC[C@H]2CCC[NH2+]C2)c1 ZINC000070144028 522871737 /nfs/dbraw/zinc/87/17/37/522871737.db2.gz IXEMOFLURULQNS-GFCCVEGCSA-N 1 0 265.353 2.472 10 0 CEAERO COc1cc(OC)cc(O[C@H](C[NH3+])C(C)(C)C)c1 ZINC000068781960 522874223 /nfs/dbraw/zinc/87/42/23/522874223.db2.gz RGFKIJSFYFVDJI-CYBMUJFWSA-N 1 0 253.342 2.456 10 0 CEAERO COc1cc([C@@H](C)[NH2+]CCN(C)C2CC2)ccc1O ZINC000061992692 522904415 /nfs/dbraw/zinc/90/44/15/522904415.db2.gz OBYWXTOTGNSPTR-LLVKDONJSA-N 1 0 264.369 2.146 10 0 CEAERO COc1cc([C@H](O)[C@@H]([NH3+])CC(C)C)cc(OC)c1OC ZINC000054929249 522952944 /nfs/dbraw/zinc/95/29/44/522952944.db2.gz HNKZUUUXAHYQRL-FZMZJTMJSA-N 1 0 283.368 2.119 10 0 CEAERO CC[C@@H](Oc1cc(C[NH2+]C(C)(C)C)ccc1OC)C(N)=O ZINC000062732486 523037786 /nfs/dbraw/zinc/03/77/86/523037786.db2.gz VNQOSOKJUZXJBJ-GFCCVEGCSA-N 1 0 294.395 2.226 10 0 CEAERO CN(C[C@@H]1CCCOC1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000069267667 523061244 /nfs/dbraw/zinc/06/12/44/523061244.db2.gz NVDZGTICOPUXOP-XJKSGUPXSA-N 1 0 260.381 2.189 10 0 CEAERO COC(=O)CCOc1c(C)cc(C[C@@H](C)[NH3+])cc1C ZINC000069318671 523103543 /nfs/dbraw/zinc/10/35/43/523103543.db2.gz JOGXGVAHHJIVEZ-GFCCVEGCSA-N 1 0 265.353 2.135 10 0 CEAERO COC(=O)CCOc1c(C)cc(C[NH2+]C2CC2)cc1C ZINC000069316873 523103994 /nfs/dbraw/zinc/10/39/94/523103994.db2.gz NJWXVGFHYVOGFY-UHFFFAOYSA-N 1 0 277.364 2.497 10 0 CEAERO COC(=O)CCOc1ccc2c(c1)OC(C)(C)C[C@@H]2[NH3+] ZINC000069317347 523108670 /nfs/dbraw/zinc/10/86/70/523108670.db2.gz SQZWFVBQJVKTLY-LBPRGKRZSA-N 1 0 279.336 2.189 10 0 CEAERO COCc1nc(C)c(CCC[NH2+]CC(C)C)c(C)n1 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CC[C@](C)(O)C[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000161732434 523491281 /nfs/dbraw/zinc/49/12/81/523491281.db2.gz BAOCNGVAJYDTQT-KRWDZBQOSA-N 1 0 296.455 2.308 10 0 CEAERO CC[C@@H]1COCCN1c1ccc(Cl)cc1C(N)=[NH2+] ZINC000052860068 523501101 /nfs/dbraw/zinc/50/11/01/523501101.db2.gz SBYVDFFZYGMSTM-SNVBAGLBSA-N 1 0 267.760 2.239 10 0 CEAERO CC[C@@H]1CO[C@@H](C)CN1C(=O)CCC1CCC([NH3+])CC1 ZINC000055128325 523503711 /nfs/dbraw/zinc/50/37/11/523503711.db2.gz UHSITQJQBJZZKQ-VXGQWTEUSA-N 1 0 282.428 2.310 10 0 CEAERO CC[C@@H]1CO[C@H](C)CN1[C@@H]1C[NH2+]Cc2ccccc21 ZINC000069266126 523516625 /nfs/dbraw/zinc/51/66/25/523516625.db2.gz ZEALLKRYSMKHKZ-XNRPHZJLSA-N 1 0 260.381 2.330 10 0 CEAERO CC[C@]1(C(=O)N(C)Cc2cccs2)CCC[NH2+]C1 ZINC000062853788 523535001 /nfs/dbraw/zinc/53/50/01/523535001.db2.gz CSVBRWGLZJNTMG-AWEZNQCLSA-N 1 0 266.410 2.486 10 0 CEAERO CC[C@]1(C(=O)NCCN(C)c2ccccc2)CCC[NH2+]C1 ZINC000062859378 523537062 /nfs/dbraw/zinc/53/70/62/523537062.db2.gz ATVMHROQSNOSQN-KRWDZBQOSA-N 1 0 289.423 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253.651 2.437 10 0 CEAERO C[C@@H](C[C@@](C)([NH2+]C1CC1)C(=O)[O-])[NH+](CC1CC1)CC1CC1 ZINC000068647975 524852395 /nfs/dbraw/zinc/85/23/95/524852395.db2.gz MYOZOTYXJIRFEO-YVEFUNNKSA-N 1 0 294.439 2.482 10 0 CEAERO C[C@@H](C[C@@](C)(NC1CC1)C(N)=O)[N@H+](C)CC1CCCCC1 ZINC000068638487 524852859 /nfs/dbraw/zinc/85/28/59/524852859.db2.gz GIHKBGUVMLZRAD-SUMWQHHRSA-N 1 0 295.471 2.273 10 0 CEAERO C[C@H]([NH3+])c1ccc(S(=O)(=O)NCc2ccsc2)cc1 ZINC000063147478 524867207 /nfs/dbraw/zinc/86/72/07/524867207.db2.gz GSYNUWFOBFUSJF-JTQLQIEISA-N 1 0 296.417 2.246 10 0 CEAERO C[C@@H](Cc1ccc(F)cc1)[NH2+]C1CCS(=O)CC1 ZINC000062050578 524890536 /nfs/dbraw/zinc/89/05/36/524890536.db2.gz RKKIMVMCQYJNLY-JCDGYTILSA-N 1 0 269.385 2.257 10 0 CEAERO COc1nc(N[C@@H](CC(C)C)C[NH+](C)C)ccc1N ZINC000049555009 524987608 /nfs/dbraw/zinc/98/76/08/524987608.db2.gz LYAPWQCBYLQOOP-NSHDSACASA-N 1 0 266.389 2.061 10 0 CEAERO Cc1cc(F)ccc1[C@H](C[NH3+])N(C)C1CCOCC1 ZINC000050578636 525007486 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525166136 /nfs/dbraw/zinc/16/61/36/525166136.db2.gz MPEUOZJZDWBSJQ-UHFFFAOYSA-N 1 0 290.754 2.259 10 0 CEAERO C[C@]1(C(=O)N2CCC[C@H]3CCCC[C@@H]32)CC[NH2+]C1 ZINC000062891348 525193871 /nfs/dbraw/zinc/19/38/71/525193871.db2.gz OGZXAKCRTBNWGS-IPYPFGDCSA-N 1 0 250.386 2.167 10 0 CEAERO C[C@]1(C(=O)Nc2cccc3c(O)cccc23)CC[NH2+]C1 ZINC000062893255 525223815 /nfs/dbraw/zinc/22/38/15/525223815.db2.gz VRLPIINFGBBUNA-INIZCTEOSA-N 1 0 270.332 2.484 10 0 CEAERO Cc1ccccc1NC(=O)Cn1ccnc1C[NH2+]C(C)C ZINC000051005659 525244747 /nfs/dbraw/zinc/24/47/47/525244747.db2.gz IETXOOWIEKKYPE-UHFFFAOYSA-N 1 0 286.379 2.328 10 0 CEAERO C[C@]1(c2ccccc2)CN(CC(F)(F)F)CC[NH2+]1 ZINC000068693665 525330845 /nfs/dbraw/zinc/33/08/45/525330845.db2.gz DAVBZCGYRFFAAO-GFCCVEGCSA-N 1 0 258.287 2.369 10 0 CEAERO C[C@]1(c2nc(Cc3ccccc3F)no2)CCC[NH2+]C1 ZINC000062872240 525339662 /nfs/dbraw/zinc/33/96/62/525339662.db2.gz KOYQEOULDFRWDU-HNNXBMFYSA-N 1 0 275.327 2.441 10 0 CEAERO Cc1ccccc1[C@@H](C)n1nnnc1C[NH2+]C(C)C ZINC000054747905 525364630 /nfs/dbraw/zinc/36/46/30/525364630.db2.gz JHFYVHSLCVTJSJ-GFCCVEGCSA-N 1 0 259.357 2.089 10 0 CEAERO C[C@@H]1C[C@H](C)CN(C(=O)[C@@H]2CC[C@H](C)[C@@H]([NH3+])C2)C1 ZINC000055123658 525378465 /nfs/dbraw/zinc/37/84/65/525378465.db2.gz MYTUSGQTXPLPIM-VJTDZRGJSA-N 1 0 252.402 2.254 10 0 CEAERO Cc1cc([C@H](C)n2nnnc2C[NH2+]C(C)C)c(C)s1 ZINC000054747097 525534264 /nfs/dbraw/zinc/53/42/64/525534264.db2.gz HEMTZAOUOJDUSH-JTQLQIEISA-N 1 0 279.413 2.459 10 0 CEAERO Cc1ccn(-c2nc(C)cc(C)c2C[NH2+]C2CC2)n1 ZINC000052885159 525568391 /nfs/dbraw/zinc/56/83/91/525568391.db2.gz AAUOIIHKWPOZDL-UHFFFAOYSA-N 1 0 256.353 2.445 10 0 CEAERO C[C@H]([NH2+][C@H]1CCCc2sccc21)C(=O)NC1CC1 ZINC000061362444 525613518 /nfs/dbraw/zinc/61/35/18/525613518.db2.gz XAPVNPAFAPBORZ-CABZTGNLSA-N 1 0 264.394 2.382 10 0 CEAERO COc1ccc2c(ccn2CC[NH2+]C2CCOCC2)c1 ZINC000062767947 525616725 /nfs/dbraw/zinc/61/67/25/525616725.db2.gz MQZOLZWLXXDDHV-UHFFFAOYSA-N 1 0 274.364 2.419 10 0 CEAERO CSC[C@@H](C)C[NH2+][C@H]1CCCc2c1cnn2C ZINC000069437887 525623132 /nfs/dbraw/zinc/62/31/32/525623132.db2.gz DUAJHVVCIAVCFV-JQWIXIFHSA-N 1 0 253.415 2.386 10 0 CEAERO C[C@@H]1[C@@H](C)CCCN1C(=O)COc1ccc(C[NH3+])cc1 ZINC000050563581 525632605 /nfs/dbraw/zinc/63/26/05/525632605.db2.gz PAFUNWCIQNJPCS-QWHCGFSZSA-N 1 0 276.380 2.171 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCCS(=O)(=O)C1)c1ccccc1F ZINC000069136919 525637650 /nfs/dbraw/zinc/63/76/50/525637650.db2.gz IQUIZYLFAQYUPT-GHMZBOCLSA-N 1 0 271.357 2.054 10 0 CEAERO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)c1ccc(NC(N)=O)cc1 ZINC000052000412 525674811 /nfs/dbraw/zinc/67/48/11/525674811.db2.gz UKXWDCOYCSESMA-SWHYSGLUSA-N 1 0 277.368 2.131 10 0 CEAERO CSC[C@H](C)C[NH2+]Cc1cc(C(N)=O)ccc1F ZINC000069447442 525681314 /nfs/dbraw/zinc/68/13/14/525681314.db2.gz OBOPVZHZPSQUER-SECBINFHSA-N 1 0 270.373 2.013 10 0 CEAERO CSC[C@H](C)C[NH2+][C@@H](C)c1c(C)nc(C)[nH]c1=O ZINC000069438939 525682831 /nfs/dbraw/zinc/68/28/31/525682831.db2.gz UZMMPRZMEKGXEQ-BDAKNGLRSA-N 1 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/nfs/dbraw/zinc/78/93/39/525789339.db2.gz KOOWFPLQTAUFEJ-IIAWOOMASA-N 1 0 264.413 2.415 10 0 CEAERO Cc1ccsc1C(=O)N1[C@H](C)CCC[C@H]1C[NH3+] ZINC000070151775 525822798 /nfs/dbraw/zinc/82/27/98/525822798.db2.gz WOXUXJIOGNBAPP-MNOVXSKESA-N 1 0 252.383 2.398 10 0 CEAERO C[C@@]1(C2CC2)CN(CCc2cccs2)CC[NH2+]1 ZINC000068694061 525822636 /nfs/dbraw/zinc/82/26/36/525822636.db2.gz PFFUFEMLAHZNFY-AWEZNQCLSA-N 1 0 250.411 2.365 10 0 CEAERO Cc1ccsc1C(=O)N[C@H]1CCCCC[C@H]1[NH3+] ZINC000063211548 525825027 /nfs/dbraw/zinc/82/50/27/525825027.db2.gz NMVUJACYWFDRJB-MNOVXSKESA-N 1 0 252.383 2.446 10 0 CEAERO COc1cccc(CC[NH3+])c1OCC1CCOCC1 ZINC000052174812 525892432 /nfs/dbraw/zinc/89/24/32/525892432.db2.gz IOJGPXUCVSMTTQ-UHFFFAOYSA-N 1 0 265.353 2.002 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@H](C)[C@@H](C)[NH3+])cc1F ZINC000157001272 525905669 /nfs/dbraw/zinc/90/56/69/525905669.db2.gz LUYOXOIZDBIRTP-MXWKQRLJSA-N 1 0 252.333 2.295 10 0 CEAERO Cc1ccc([C@H](C[NH3+])N(CCO)Cc2ccccc2)cc1 ZINC000050513933 525952156 /nfs/dbraw/zinc/95/21/56/525952156.db2.gz WIRQNEXYLWWOMG-SFHVURJKSA-N 1 0 284.403 2.489 10 0 CEAERO Cc1ccc(C(N)=[NH2+])c(N(CCO)Cc2ccccc2)c1 ZINC000051580075 526013212 /nfs/dbraw/zinc/01/32/12/526013212.db2.gz OOZACGOLOZLGDA-UHFFFAOYSA-N 1 0 283.375 2.278 10 0 CEAERO COc1cccc(C[C@H](C)[NH3+])c1OC1CCOCC1 ZINC000069310665 526075422 /nfs/dbraw/zinc/07/54/22/526075422.db2.gz CONHHGQYJXOKHK-NSHDSACASA-N 1 0 265.353 2.143 10 0 CEAERO Cc1ccc2[nH]c(SCC[NH2+]CCN(C)C)nc2c1 ZINC000061441235 526102459 /nfs/dbraw/zinc/10/24/59/526102459.db2.gz UDOHOBHEJJWTDN-UHFFFAOYSA-N 1 0 278.425 2.115 10 0 CEAERO COc1cccc(N2CCN([C@@H](C)C[NH2+]C(C)C)CC2)c1 ZINC000052423672 526154336 /nfs/dbraw/zinc/15/43/36/526154336.db2.gz VMVABFNZYFJMRU-HNNXBMFYSA-N 1 0 291.439 2.204 10 0 CEAERO Cc1ccc2c(c1)[nH+]c(N)n2Cc1cnc(C)cn1 ZINC000061322034 526220206 /nfs/dbraw/zinc/22/02/06/526220206.db2.gz XOSJUSHPIDUBDV-UHFFFAOYSA-N 1 0 253.309 2.074 10 0 CEAERO COc1cccc(O[C@H](C)C[C@@](C)([NH2+]C(C)C)C(N)=O)c1 ZINC000068655592 526240300 /nfs/dbraw/zinc/24/03/00/526240300.db2.gz LMXFFIPUQPCVLD-MLGOLLRUSA-N 1 0 294.395 2.095 10 0 CEAERO Cc1ccc(C(C)C)cc1OC[C@]([NH3+])(C(N)=O)C1CC1 ZINC000069194058 526249421 /nfs/dbraw/zinc/24/94/21/526249421.db2.gz HYPFMLHMLXUFJT-MRXNPFEDSA-N 1 0 276.380 2.090 10 0 CEAERO C[C@H]1CCCC[C@@H]1OC(=O)c1c[nH]c(C2([NH3+])CCC2)n1 ZINC000048633735 526259023 /nfs/dbraw/zinc/25/90/23/526259023.db2.gz JWIUHVASJWRCLM-JQWIXIFHSA-N 1 0 277.368 2.483 10 0 CEAERO C[C@H]1CCCC[C@H]1[NH2+]CCSc1nncn1C ZINC000053609393 526262266 /nfs/dbraw/zinc/26/22/66/526262266.db2.gz JATALTUNEJMAKG-WDEREUQCSA-N 1 0 254.403 2.076 10 0 CEAERO FC(F)n1ccnc1C[NH2+]CCOc1ccccc1 ZINC000052396111 526271193 /nfs/dbraw/zinc/27/11/93/526271193.db2.gz ZLFKXQFLIQOYTN-UHFFFAOYSA-N 1 0 267.279 2.447 10 0 CEAERO Cc1nn(Cc2[nH+]c(NN)ccc2Cl)c(C)c1C ZINC000061639377 526298921 /nfs/dbraw/zinc/29/89/21/526298921.db2.gz KQCOFQJHIFMQFV-UHFFFAOYSA-N 1 0 265.748 2.191 10 0 CEAERO Cc1nn(Cc2cn3ccccc3n2)c(C)c1C[C@H](C)[NH3+] ZINC000062803238 526299294 /nfs/dbraw/zinc/29/92/94/526299294.db2.gz TXNCYUNWXKORAB-NSHDSACASA-N 1 0 283.379 2.086 10 0 CEAERO O[C@H]1CCCCCC[C@H]1[N@@H+]1CC[C@H](N2CCCC2)C1 ZINC000062968389 526302612 /nfs/dbraw/zinc/30/26/12/526302612.db2.gz WNFFEAYQSAOPSU-XHSDSOJGSA-N 1 0 266.429 2.240 10 0 CEAERO O=C([O-])[C@H]1CCCC[C@@H]1[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062756980 526319676 /nfs/dbraw/zinc/31/96/76/526319676.db2.gz MKSATQPMYHUWPP-HOTGVXAUSA-N 1 0 294.439 2.438 10 0 CEAERO Fc1ccc(-c2noc(C[C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000054301379 526319713 /nfs/dbraw/zinc/31/97/13/526319713.db2.gz HAIZUBOEVAHUSK-JTQLQIEISA-N 1 0 261.300 2.418 10 0 CEAERO Cc1csc(CNC[C@@](C)([NH3+])c2ccccc2)n1 ZINC000052883537 526356043 /nfs/dbraw/zinc/35/60/43/526356043.db2.gz ZPEDIASKWNOOJT-CQSZACIVSA-N 1 0 261.394 2.415 10 0 CEAERO Oc1cccc2c1CC[C@H]2[NH2+]CCN1CCCCC1 ZINC000049574820 526368660 /nfs/dbraw/zinc/36/86/60/526368660.db2.gz UNSWUPUPXLTLBX-OAHLLOKOSA-N 1 0 260.381 2.455 10 0 CEAERO Cc1nnc(Oc2cccc(F)c2F)c(C(N)=[NH2+])c1C ZINC000062615507 526376903 /nfs/dbraw/zinc/37/69/03/526376903.db2.gz LYILYCSINBRHDW-UHFFFAOYSA-N 1 0 278.262 2.448 10 0 CEAERO Cc1nnc(Sc2cc(C[NH3+])c3ccccc3n2)n1C ZINC000068797147 526390744 /nfs/dbraw/zinc/39/07/44/526390744.db2.gz HBWZDURUMNAKQJ-UHFFFAOYSA-N 1 0 285.376 2.282 10 0 CEAERO O=C(CC[N@H+]1CC[C@@H](O)C1)c1ccc(Br)cc1 ZINC000061711716 526492448 /nfs/dbraw/zinc/49/24/48/526492448.db2.gz RULGZBVKAZTCAA-GFCCVEGCSA-N 1 0 298.180 2.089 10 0 CEAERO O=C(CC[C@@H]1CCCC[NH2+]1)Nc1cccc2n[nH]cc21 ZINC000050945804 526547951 /nfs/dbraw/zinc/54/79/51/526547951.db2.gz KJQDHLUDXJAEKY-NSHDSACASA-N 1 0 272.352 2.424 10 0 CEAERO O=C(CC[C@H]1CCCC[NH2+]1)NCCc1cccs1 ZINC000050940099 526565617 /nfs/dbraw/zinc/56/56/17/526565617.db2.gz VIOBAWRYWOQIJB-GFCCVEGCSA-N 1 0 266.410 2.329 10 0 CEAERO O=C(c1c(F)cccc1F)N1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000051359009 526578367 /nfs/dbraw/zinc/57/83/67/526578367.db2.gz MIPFKHUNRKHVTN-OLZOCXBDSA-N 1 0 280.318 2.321 10 0 CEAERO NC(=[NH2+])c1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000052860291 526820726 /nfs/dbraw/zinc/82/07/26/526820726.db2.gz PWXIAHCOYKVHTO-SECBINFHSA-N 1 0 254.717 2.182 10 0 CEAERO NC(=[NH2+])c1ncccc1COCc1ccccc1F ZINC000069284569 526825303 /nfs/dbraw/zinc/82/53/03/526825303.db2.gz IHQIBIZQNDERTK-UHFFFAOYSA-N 1 0 259.284 2.222 10 0 CEAERO Cc1nc(N2CCOCC2)nc(C)c1[C@@H](C)C[NH2+]C(C)C ZINC000054854998 526970335 /nfs/dbraw/zinc/97/03/35/526970335.db2.gz HMIHXOHAAFXEDG-LBPRGKRZSA-N 1 0 292.427 2.032 10 0 CEAERO [NH3+]C1(c2nc(-c3n[nH]c(-c4cccs4)n3)c[nH]2)CCC1 ZINC000054700255 527132383 /nfs/dbraw/zinc/13/23/83/527132383.db2.gz FFHNSDHHWYYFJB-UHFFFAOYSA-N 1 0 286.364 2.261 10 0 CEAERO [NH3+]C1CCC(CCC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1 ZINC000055134196 527139046 /nfs/dbraw/zinc/13/90/46/527139046.db2.gz JXSAUAXRVQICOZ-QDIHITRGSA-N 1 0 294.439 2.454 10 0 CEAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2c1nc2c(s1)CCC2 ZINC000054602758 527145695 /nfs/dbraw/zinc/14/56/95/527145695.db2.gz HHGBKTCYFJNZMJ-FGWVZKOKSA-N 1 0 263.410 2.480 10 0 CEAERO [NH3+]CC1(Cc2nnnn2-c2ccccc2)CCCCC1 ZINC000054635544 527163130 /nfs/dbraw/zinc/16/31/30/527163130.db2.gz XEOBYLSHEVBZLF-UHFFFAOYSA-N 1 0 271.368 2.114 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)NCc1cccc(Cl)c1 ZINC000054306021 527167682 /nfs/dbraw/zinc/16/76/82/527167682.db2.gz MHIWRPFFEAMQBZ-GFCCVEGCSA-N 1 0 266.772 2.346 10 0 CEAERO Cc1nc2ccccn2c1CN[C@H](C)CC[NH+](C)C ZINC000049554056 527179838 /nfs/dbraw/zinc/17/98/38/527179838.db2.gz ZTWXGKBIFHNWRF-GFCCVEGCSA-N 1 0 260.385 2.073 10 0 CEAERO [NH3+]CC[C@@H]1CN(C(=O)Cc2cccnc2)c2ccccc21 ZINC000063127636 527192981 /nfs/dbraw/zinc/19/29/81/527192981.db2.gz IJPGAHMXEFBTSY-CQSZACIVSA-N 1 0 281.359 2.103 10 0 CEAERO [NH3+]CC[C@@H]1CN(CCO[C@@H]2CCCCO2)c2ccccc21 ZINC000063129161 527193116 /nfs/dbraw/zinc/19/31/16/527193116.db2.gz GYEZRXDUGINREO-RHSMWYFYSA-N 1 0 290.407 2.482 10 0 CEAERO [NH3+]CCc1cc(Cl)ccc1OCCn1cccn1 ZINC000049326320 527195455 /nfs/dbraw/zinc/19/54/55/527195455.db2.gz CRFCISYJLXOYRR-UHFFFAOYSA-N 1 0 265.744 2.117 10 0 CEAERO [NH3+]CCc1ccc(CNC(=O)c2c(F)cccc2F)cc1 ZINC000052898727 527196537 /nfs/dbraw/zinc/19/65/37/527196537.db2.gz NKJCTZKZURAXNQ-UHFFFAOYSA-N 1 0 290.313 2.396 10 0 CEAERO [NH3+]CCc1cnn(Cc2c(F)cccc2Cl)c1 ZINC000054740891 527197495 /nfs/dbraw/zinc/19/74/95/527197495.db2.gz LQCCTJJQXFPLSU-UHFFFAOYSA-N 1 0 253.708 2.225 10 0 CEAERO [NH3+]CCc1cnn(Cc2ccc(OC(F)(F)F)cc2)c1 ZINC000054740837 527197579 /nfs/dbraw/zinc/19/75/79/527197579.db2.gz QXQNCUIRPWSXQY-UHFFFAOYSA-N 1 0 285.269 2.331 10 0 CEAERO [NH3+]CCc1ccnc([C@H]2CCCc3ccccc32)n1 ZINC000063158635 527197779 /nfs/dbraw/zinc/19/77/79/527197779.db2.gz QMCXYDKPHGYMTI-HNNXBMFYSA-N 1 0 253.349 2.446 10 0 CEAERO [NH3+]C[C@@H]1CC[C@@H](COc2cccc3cccnc32)O1 ZINC000052693907 527217581 /nfs/dbraw/zinc/21/75/81/527217581.db2.gz HZGAFFUNWKGVFF-STQMWFEESA-N 1 0 258.321 2.120 10 0 CEAERO [NH3+]C[C@H](c1csc2ccccc12)N1CCOCC1 ZINC000054463829 527230655 /nfs/dbraw/zinc/23/06/55/527230655.db2.gz ASMQRTZCRLWCOY-CYBMUJFWSA-N 1 0 262.378 2.233 10 0 CEAERO Cn1cc(C[C@H]([NH3+])c2ccc(Cl)cc2F)cn1 ZINC000062785823 527232728 /nfs/dbraw/zinc/23/27/28/527232728.db2.gz YDVJMWQKDDBHLS-LBPRGKRZSA-N 1 0 253.708 2.455 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc(OCC2CC2)cc1 ZINC000157769011 527235406 /nfs/dbraw/zinc/23/54/06/527235406.db2.gz UQRAACJYKYCQTA-ZBFHGGJFSA-N 1 0 288.391 2.333 10 0 CEAERO NC(=O)CN(c1ccc(Cl)cc1C[NH3+])C1CCCC1 ZINC000052857393 527246954 /nfs/dbraw/zinc/24/69/54/527246954.db2.gz IWEWNQKUINIBFK-UHFFFAOYSA-N 1 0 281.787 2.033 10 0 CEAERO [NH3+]Cc1cc(CN(Cc2ccsc2)C2CC2)on1 ZINC000052542052 527247050 /nfs/dbraw/zinc/24/70/50/527247050.db2.gz SBZQVLDLUUMSLF-UHFFFAOYSA-N 1 0 263.366 2.359 10 0 CEAERO [NH3+]Cc1ccc([C@@H](O)Cn2ncc3ccccc32)cc1 ZINC000050524512 527258038 /nfs/dbraw/zinc/25/80/38/527258038.db2.gz AKYMWBYICNOSCY-INIZCTEOSA-N 1 0 267.332 2.229 10 0 CEAERO [NH3+]Cc1ccccc1NC(=O)CN1Cc2ccccc2C1 ZINC000050910511 527260863 /nfs/dbraw/zinc/26/08/63/527260863.db2.gz PMWHYLWZKBEYGQ-UHFFFAOYSA-N 1 0 281.359 2.100 10 0 CEAERO [NH3+]Cc1cnn(Cc2cccc(C(F)(F)F)c2)c1 ZINC000054716745 527264728 /nfs/dbraw/zinc/26/47/28/527264728.db2.gz NYJCFTFVWVFCJE-UHFFFAOYSA-N 1 0 255.243 2.409 10 0 CEAERO O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000069052705 527279217 /nfs/dbraw/zinc/27/92/17/527279217.db2.gz WJHNVUNQNQMXNL-FFSVYQOJSA-N 1 0 268.360 2.483 10 0 CEAERO [NH3+][C@@H](Cc1ccc(O)cc1)c1nncn1-c1ccccc1 ZINC000054526789 527335892 /nfs/dbraw/zinc/33/58/92/527335892.db2.gz MEKJRUFGYGCYGO-HNNXBMFYSA-N 1 0 280.331 2.215 10 0 CEAERO Cc1nccc(Cn2c(N)[nH+]c3ccc(F)c(F)c32)n1 ZINC000053170295 527344524 /nfs/dbraw/zinc/34/45/24/527344524.db2.gz NDYIPTZBEDYILU-UHFFFAOYSA-N 1 0 275.262 2.043 10 0 CEAERO O=c1c(Br)cccn1CC[C@H]1CCCC[NH2+]1 ZINC000057837176 527450440 /nfs/dbraw/zinc/45/04/40/527450440.db2.gz UPAMMEYCYCXDKH-SNVBAGLBSA-N 1 0 285.185 2.143 10 0 CEAERO O=c1ccc(Br)cn1CC[C@H]1CCC[NH2+]C1 ZINC000051919948 527485880 /nfs/dbraw/zinc/48/58/80/527485880.db2.gz KHNMNUGJMVBYGL-SNVBAGLBSA-N 1 0 285.185 2.001 10 0 CEAERO Nc1ccc(Cl)c(C[N@H+](CCO)C2CCCCC2)n1 ZINC000061638569 527485826 /nfs/dbraw/zinc/48/58/26/527485826.db2.gz QYYXMVBKWFVAPO-UHFFFAOYSA-N 1 0 283.803 2.444 10 0 CEAERO Nc1ccc(F)cc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062976113 527489561 /nfs/dbraw/zinc/48/95/61/527489561.db2.gz KTQWTTMPTSTZSN-ZDUSSCGKSA-N 1 0 263.360 2.473 10 0 CEAERO Nc1ccccc1CC[N@H+](CCO)C1CCCCC1 ZINC000052918605 527526357 /nfs/dbraw/zinc/52/63/57/527526357.db2.gz SXEUCIKXBDMCHB-UHFFFAOYSA-N 1 0 262.397 2.438 10 0 CEAERO Nc1cccnc1O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061702150 527530697 /nfs/dbraw/zinc/53/06/97/527530697.db2.gz XJGJPXLWBJDPET-AWEZNQCLSA-N 1 0 269.348 2.317 10 0 CEAERO OCCC[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)OCO2 ZINC000052762112 527544179 /nfs/dbraw/zinc/54/41/79/527544179.db2.gz AUXXBPGXQDUCAX-ZDUSSCGKSA-N 1 0 263.337 2.152 10 0 CEAERO OCCn1cc(C[NH2+][C@@H]2CCCc3ccccc32)cn1 ZINC000068690582 527575893 /nfs/dbraw/zinc/57/58/93/527575893.db2.gz LLJDRTJZWHXPHC-MRXNPFEDSA-N 1 0 271.364 2.043 10 0 CEAERO OC[C@@H]([NH2+]C[C@H]1CCCO1)c1cccc2cccnc21 ZINC000069504732 527582403 /nfs/dbraw/zinc/58/24/03/527582403.db2.gz WFQURJXNJXWUQF-UKRRQHHQSA-N 1 0 272.348 2.037 10 0 CEAERO Cn1nccc1[C@H]([NH3+])C1(c2ccccc2)CCOCC1 ZINC000069468043 527628567 /nfs/dbraw/zinc/62/85/67/527628567.db2.gz WZGINBWMEOIIHT-HNNXBMFYSA-N 1 0 271.364 2.168 10 0 CEAERO FC(F)(F)COCCN1CC[NH2+][C@H](c2ccccc2)C1 ZINC000068693544 527669729 /nfs/dbraw/zinc/66/97/29/527669729.db2.gz SAIODUNJUHNEKQ-ZDUSSCGKSA-N 1 0 288.313 2.212 10 0 CEAERO Cc1nn(C)c(N2CC[C@@H](c3ccccc3)C2)c1C[NH3+] ZINC000050600325 527676878 /nfs/dbraw/zinc/67/68/78/527676878.db2.gz OIOAIYZUTNWYAO-CQSZACIVSA-N 1 0 270.380 2.181 10 0 CEAERO FC(F)Oc1ccccc1-c1cc(N2CC[NH2+]CC2)n[nH]1 ZINC000062669943 527697141 /nfs/dbraw/zinc/69/71/41/527697141.db2.gz HEIUDTSPQSXDGY-UHFFFAOYSA-N 1 0 294.305 2.088 10 0 CEAERO CCCC(O)(CCC)CC(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000178517313 528009432 /nfs/dbraw/zinc/00/94/32/528009432.db2.gz WPPJPJBHCDFWSR-AWEZNQCLSA-N 1 0 284.444 2.308 10 0 CEAERO CCCCOC[C@H](O)C[NH2+][C@](C)(CO)C1CCCCC1 ZINC000195178500 528625872 /nfs/dbraw/zinc/62/58/72/528625872.db2.gz HSPIOZILFZYQCV-HZPDHXFCSA-N 1 0 287.444 2.085 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCS[C@H](C(C)C)C2)C1 ZINC000174234919 529088785 /nfs/dbraw/zinc/08/87/85/529088785.db2.gz HTLUWYBDFSBCPI-KBPBESRZSA-N 1 0 299.484 2.254 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2Cc3ccccc3C2)C1 ZINC000106334476 529089378 /nfs/dbraw/zinc/08/93/78/529089378.db2.gz OHQFZBIPMIPQPK-HNNXBMFYSA-N 1 0 273.380 2.196 10 0 CEAERO CCN1CCC[C@H]([NH2+]Cc2cncc(Br)c2)C1 ZINC000157876836 529091328 /nfs/dbraw/zinc/09/13/28/529091328.db2.gz DCVMCXFYXVWXRR-ZDUSSCGKSA-N 1 0 298.228 2.418 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)c2cccc(F)c2)[C@@H](C)C1 ZINC000155486678 529105272 /nfs/dbraw/zinc/10/52/72/529105272.db2.gz FPNHWEJQANFJHU-FZMZJTMJSA-N 1 0 264.344 2.284 10 0 CEAERO COC(=O)c1cc(N2CCC[C@@H](C[NH2+]C(C)C)C2)ccn1 ZINC000090739001 536513265 /nfs/dbraw/zinc/51/32/65/536513265.db2.gz OBFIMIAJFYKHIX-ZDUSSCGKSA-N 1 0 291.395 2.083 10 0 CEAERO CC(C)Cc1nnc(NC(=O)C[C@@H]([NH3+])C(C)C)s1 ZINC000225809317 538880962 /nfs/dbraw/zinc/88/09/62/538880962.db2.gz XTVVAKILQGKQKP-SECBINFHSA-N 1 0 270.402 2.049 10 0 CEAERO Cc1occc1[C@H]1C[NH2+]C[C@@H]1C(=O)OC(C)(C)C ZINC000757185727 574511663 /nfs/dbraw/zinc/51/16/63/574511663.db2.gz ABPIMMCXFSLHAP-NEPJUHHUSA-N 1 0 251.326 2.233 10 0 CEAERO COc1cc(NC(=O)C[C@@H]([NH3+])C(C)C)ccc1F ZINC000160342736 574511340 /nfs/dbraw/zinc/51/13/40/574511340.db2.gz HEFDUUQYFNOLEN-LLVKDONJSA-N 1 0 254.305 2.146 10 0 CEAERO CC(C)n1c(NC2CC[NH2+]CC2)nc2cccnc21 ZINC000757568667 574514156 /nfs/dbraw/zinc/51/41/56/574514156.db2.gz RAGYVPPMYZXORO-UHFFFAOYSA-N 1 0 259.357 2.176 10 0 CEAERO C[C@H](N1CCC[C@@]12C[NH2+]C[C@@H](C)C2)C(F)(F)F ZINC000757124390 574825813 /nfs/dbraw/zinc/82/58/13/574825813.db2.gz CFSQJXNUWOJPIJ-GARJFASQSA-N 1 0 250.308 2.401 10 0 CEAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@@]12CCCSC2 ZINC000757183325 622956427 /nfs/dbraw/zinc/95/64/27/622956427.db2.gz BECMSCSNYQZDFS-ZWNOBZJWSA-N 1 0 257.399 2.061 10 0 CEAERO C[C@H](NC(=O)[C@@H](C[NH3+])c1ccccc1)C1CCCC1 ZINC000070306843 622999654 /nfs/dbraw/zinc/99/96/54/622999654.db2.gz UXNUYJSXIUTMLC-WFASDCNBSA-N 1 0 260.381 2.424 10 0 CEAERO C[NH2+]C[C@H]1CCN(c2cc(C(F)(F)F)ccn2)C1 ZINC000090803940 623115774 /nfs/dbraw/zinc/11/57/74/623115774.db2.gz SIGGVXJCQBHVCF-SECBINFHSA-N 1 0 259.275 2.146 10 0 CEAERO c1csc(Cc2noc(CC[C@H]3CCC[NH2+]3)n2)c1 ZINC000261593225 623387246 /nfs/dbraw/zinc/38/72/46/623387246.db2.gz ZBBAAWPUIUQELM-SNVBAGLBSA-N 1 0 263.366 2.407 10 0 CEAERO COC[C@]1(C(=O)N[C@H](C)c2ccc(Cl)cc2)CC[NH2+]C1 ZINC000261657464 623422539 /nfs/dbraw/zinc/42/25/39/623422539.db2.gz DSRGWFHVVAVFJT-ABAIWWIYSA-N 1 0 296.798 2.143 10 0 CEAERO CCOC1CC[NH+](C[C@](C)(O)c2ccccc2)CC1 ZINC000052097065 625664430 /nfs/dbraw/zinc/66/44/30/625664430.db2.gz QSNDSVVTCUWKOW-INIZCTEOSA-N 1 0 263.381 2.395 10 0 CEAERO Cc1nsc(NCc2ccc(C[NH3+])cc2F)n1 ZINC000087632271 623958152 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ZINC000309876068 628224561 /nfs/dbraw/zinc/22/45/61/628224561.db2.gz WCOPSDADLMLMRO-NWDGAFQWSA-N 1 0 272.389 2.010 10 0 CEAERO C[C@@H]([NH2+]C1CSC1)c1ccc2c(c1)OCCO2 ZINC000396444418 628225063 /nfs/dbraw/zinc/22/50/63/628225063.db2.gz CJHXFDASUZLJPY-SECBINFHSA-N 1 0 251.351 2.224 10 0 CEAERO C[C@H]([NH2+]C1CSC1)c1ccc2c(c1)OCCO2 ZINC000396444420 628225097 /nfs/dbraw/zinc/22/50/97/628225097.db2.gz CJHXFDASUZLJPY-VIFPVBQESA-N 1 0 251.351 2.224 10 0 CEAERO O[C@@H](C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1)c1ccccc1 ZINC000313559578 628615415 /nfs/dbraw/zinc/61/54/15/628615415.db2.gz IWAFDOWBDFGHKN-ULQDDVLXSA-N 1 0 275.392 2.347 10 0 CEAERO CC[C@H]1CCCC[C@H]1[NH2+]C1CCN(CCO)CC1 ZINC000399157152 628781284 /nfs/dbraw/zinc/78/12/84/628781284.db2.gz DIULONDVVJAKEL-DZGCQCFKSA-N 1 0 254.418 2.002 10 0 CEAERO OCCN1CCC([NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000399200587 628783924 /nfs/dbraw/zinc/78/39/24/628783924.db2.gz UEOAUJDJNKIHKN-HNNXBMFYSA-N 1 0 292.448 2.270 10 0 CEAERO c1ccc2c(c1)OC[C@H]2[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000094373265 628836513 /nfs/dbraw/zinc/83/65/13/628836513.db2.gz DFOZEFSTVZKCFT-UKRRQHHQSA-N 1 0 289.375 2.438 10 0 CEAERO C[C@H](CCC[NH3+])Nc1ccccc1S(=O)(=O)C(F)F ZINC000094948101 628884017 /nfs/dbraw/zinc/88/40/17/628884017.db2.gz AAYGNSFVWNEUNY-SECBINFHSA-N 1 0 292.351 2.222 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)C[C@H]1CCCc2cc(OC)ccc21 ZINC000261615295 628949230 /nfs/dbraw/zinc/94/92/30/628949230.db2.gz APZVGIPKGMTBKD-TZMCWYRMSA-N 1 0 290.407 2.229 10 0 CEAERO O=C(CC[C@H]1CCC[NH2+]1)NCc1cc(F)ccc1F ZINC000261624152 628951201 /nfs/dbraw/zinc/95/12/01/628951201.db2.gz VACYHFHGGBDVCX-GFCCVEGCSA-N 1 0 268.307 2.113 10 0 CEAERO COc1cc(C)nc(NC[C@@H]2[NH2+]CCc3ccccc32)n1 ZINC000261668504 628978386 /nfs/dbraw/zinc/97/83/86/628978386.db2.gz LEAYOTQQLMOYSY-AWEZNQCLSA-N 1 0 284.363 2.093 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)Nc1cc(CC(C)(C)C)nn1C ZINC000237007594 629149882 /nfs/dbraw/zinc/14/98/82/629149882.db2.gz IEMSBPLBYRUMRX-LLVKDONJSA-N 1 0 266.389 2.075 10 0 CEAERO COC[C@@]1(CNc2nc3ccccc3nc2C)CCC[NH2+]1 ZINC000261753674 629182600 /nfs/dbraw/zinc/18/26/00/629182600.db2.gz UBRJDURCFJTCQQ-INIZCTEOSA-N 1 0 286.379 2.119 10 0 CEAERO CC(C)(C)c1ccnc(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000261818568 629255517 /nfs/dbraw/zinc/25/55/17/629255517.db2.gz TUOQSOSDEHONKL-XQQFMLRXSA-N 1 0 274.412 2.338 10 0 CEAERO Cc1cccc(OCCc2nc([C@@H](C)C[NH3+])no2)c1 ZINC000054158565 629261881 /nfs/dbraw/zinc/26/18/81/629261881.db2.gz KSLRPQKSXNSYJR-NSHDSACASA-N 1 0 261.325 2.062 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)[C@H]([NH3+])C2CCOCC2)cc1F ZINC000261892673 629304753 /nfs/dbraw/zinc/30/47/53/629304753.db2.gz VSBAYANUZUKYQH-IAQYHMDHSA-N 1 0 294.370 2.065 10 0 CEAERO C[C@@H]1CN(Cc2c(F)cccc2Br)C[C@@H]1[NH3+] ZINC000261930250 629339274 /nfs/dbraw/zinc/33/92/74/629339274.db2.gz CSUPKDMPMPGDOS-PELKAZGASA-N 1 0 287.176 2.367 10 0 CEAERO Cc1nc([C@@H](C)NC(=O)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000261990461 629413452 /nfs/dbraw/zinc/41/34/52/629413452.db2.gz YBSDWCDPQUKGSW-MWLCHTKSSA-N 1 0 279.409 2.018 10 0 CEAERO Cc1ccc(Br)c2c1NC(=O)C[C@H]2C[NH3+] ZINC000757175589 631828470 /nfs/dbraw/zinc/82/84/70/631828470.db2.gz LSPYRPJHLASYAZ-ZETCQYMHSA-N 1 0 269.142 2.142 10 0 CEAERO Cc1c(Br)ccc2c1NC(=O)C[C@@H]2C[NH3+] ZINC000757175322 631829074 /nfs/dbraw/zinc/82/90/74/631829074.db2.gz DEDKLAPZPJZDIZ-SSDOTTSWSA-N 1 0 269.142 2.142 10 0 CEAERO C[C@@H]1SCC[C@@]12C[NH2+]C[C@@H]2C(=O)OC(C)(C)C ZINC000757184092 631829832 /nfs/dbraw/zinc/82/98/32/631829832.db2.gz IXTKJVJNJMFGQE-OPQQBVKSSA-N 1 0 257.399 2.059 10 0 CEAERO CCOC(=O)CCc1nc(C2([NH3+])C[C@@H](C)C[C@H](C)C2)no1 ZINC000757184389 631830282 /nfs/dbraw/zinc/83/02/82/631830282.db2.gz WFGKRDSJKXAGFK-QWRGUYRKSA-N 1 0 295.383 2.175 10 0 CEAERO COc1cccc([C@@H]2C[NH2+]C[C@@H]2C(=O)OC(C)(C)C)c1 ZINC000757184122 631830310 /nfs/dbraw/zinc/83/03/10/631830310.db2.gz IWIRQCNWSDNQQO-KBPBESRZSA-N 1 0 277.364 2.340 10 0 CEAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccnc(Cl)c1 ZINC000757186638 631831442 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CCN1CCO[C@H](C[NH2+][C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000165969125 639443428 /nfs/dbraw/zinc/44/34/28/639443428.db2.gz BTLUDIRMAXHRSO-HZPDHXFCSA-N 1 0 296.455 2.179 10 0 CEAERO O[C@@H](C[N@@H+]1CCCOCC1)c1cccc(C(F)(F)F)c1 ZINC000059950761 639596548 /nfs/dbraw/zinc/59/65/48/639596548.db2.gz SFXIFNHKXJKJRY-ZDUSSCGKSA-N 1 0 289.297 2.461 10 0 CEAERO Cc1cc(Br)cnc1N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000228163715 639622074 /nfs/dbraw/zinc/62/20/74/639622074.db2.gz FGYSMFMPJBZJLW-VHSXEESVSA-N 1 0 284.201 2.326 10 0 CEAERO CCCCC[C@H](C)NC(=O)CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000231668495 639869698 /nfs/dbraw/zinc/86/96/98/639869698.db2.gz DDSRNRFLTVAJKO-LSDHHAIUSA-N 1 0 283.460 2.145 10 0 CEAERO COC1CC([NH2+][C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000231721207 639872858 /nfs/dbraw/zinc/87/28/58/639872858.db2.gz QRIOGZSZNNKTMP-FIYWTHMPSA-N 1 0 284.400 2.199 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1c1nc(-c2ccc(O)cc2)no1 ZINC000089430705 640430669 /nfs/dbraw/zinc/43/06/69/640430669.db2.gz WXDLPZQFAIZYQK-JQWIXIFHSA-N 1 0 259.309 2.285 10 0 CEAERO C[C@@H]1CC[NH2+][C@@H](C(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000126376443 650606300 /nfs/dbraw/zinc/60/63/00/650606300.db2.gz WOMIHCURSSHQDP-MRVWCRGKSA-N 1 0 274.364 2.015 10 0 CEAERO CC[C@H]1C[N@H+](CCc2cccs2)CCN1CCOC ZINC000105837338 640938301 /nfs/dbraw/zinc/93/83/01/640938301.db2.gz NDKZWYWARYTGBT-AWEZNQCLSA-N 1 0 282.453 2.333 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)CCCOc1ccccc1F ZINC000237987106 641415860 /nfs/dbraw/zinc/41/58/60/641415860.db2.gz LIIFMEHUGXYTBR-JSGCOSHPSA-N 1 0 294.370 2.228 10 0 CEAERO COC(=O)[C@@H]1C[N@H+](C[C@H]2CCOc3ccccc32)C[C@@H]1C ZINC000252738535 641584265 /nfs/dbraw/zinc/58/42/65/641584265.db2.gz BWWTUHUJZCKEHY-GZBFAFLISA-N 1 0 289.375 2.294 10 0 CEAERO C[C@H](NC(=O)[C@H]1CCC[C@H]([NH3+])C1)c1ccc2c(c1)OCO2 ZINC000070613809 641687576 /nfs/dbraw/zinc/68/75/76/641687576.db2.gz KBFDAZZTHVSHGQ-DRZSPHRISA-N 1 0 290.363 2.110 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]2CN(c3ccc(Br)cn3)C[C@@H]21 ZINC000230134118 642564979 /nfs/dbraw/zinc/56/49/79/642564979.db2.gz JTLDVDOKBBLDCL-ZMLRMANQSA-N 1 0 296.212 2.408 10 0 CEAERO CCCN(Cc1ccccc1)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000111264143 643755855 /nfs/dbraw/zinc/75/58/55/643755855.db2.gz AKUDFUXUVQZBFJ-UKRRQHHQSA-N 1 0 260.381 2.281 10 0 CEAERO Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000126841063 650975879 /nfs/dbraw/zinc/97/58/79/650975879.db2.gz IKELHCKRTKTUMH-STQMWFEESA-N 1 0 267.394 2.223 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H](C)Cc2cccc(F)c2)C1 ZINC000128712592 651557077 /nfs/dbraw/zinc/55/70/77/651557077.db2.gz HBJQTPDZTXNSOH-XJKSGUPXSA-N 1 0 280.387 2.067 10 0 CEAERO C[C@@H](NC(=O)c1coc(C[NH3+])c1)c1cccs1 ZINC000187246495 652345008 /nfs/dbraw/zinc/34/50/08/652345008.db2.gz OSQDTAVWQSEZRF-MRVPVSSYSA-N 1 0 250.323 2.291 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@H](C[NH3+])C[C@@H]1C1CC1 ZINC000215665817 652901537 /nfs/dbraw/zinc/90/15/37/652901537.db2.gz BTRIMTVHRBPUKJ-CMPLNLGQSA-N 1 0 254.374 2.371 10 0 CEAERO C[C@@H]1C[C@H](C[NH3+])CN1c1ncccc1C(F)(F)F ZINC000216205373 652969713 /nfs/dbraw/zinc/96/97/13/652969713.db2.gz ILOJZFGGUKVUCW-RKDXNWHRSA-N 1 0 259.275 2.274 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N1CCCCC1 ZINC000135581337 652973628 /nfs/dbraw/zinc/97/36/28/652973628.db2.gz IYHKMKAOGMLZAU-CYBMUJFWSA-N 1 0 253.390 2.008 10 0 CEAERO COCCC[S@](=O)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000081998371 177915990 /nfs/dbraw/zinc/91/59/90/177915990.db2.gz CGYWYKSRNCODNO-SJBDTSRBSA-N 1 0 275.458 2.314 10 0 CEAERO O=C(NC1(c2ccc(F)cc2)CCC1)[C@@H]1CCC[NH2+]1 ZINC000082257986 177931135 /nfs/dbraw/zinc/93/11/35/177931135.db2.gz NEYIRXBAZFDUDT-ZDUSSCGKSA-N 1 0 262.328 2.073 10 0 CEAERO C[NH2+]CCc1nnc(COc2cccc(C)c2)s1 ZINC000082297174 177950761 /nfs/dbraw/zinc/95/07/61/177950761.db2.gz WGQRINCDSIBWEC-UHFFFAOYSA-N 1 0 263.366 2.187 10 0 CEAERO C[N@@H+]1CCC[C@@H]1CC(=O)Nc1ccc(F)c(F)c1 ZINC000082339225 177970070 /nfs/dbraw/zinc/97/00/70/177970070.db2.gz QWNDHBMOKMPRTO-SNVBAGLBSA-N 1 0 254.280 2.388 10 0 CEAERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc2ccccc2n1 ZINC000124508959 187140617 /nfs/dbraw/zinc/14/06/17/187140617.db2.gz VIRULNSLHMXRDR-TZMCWYRMSA-N 1 0 283.375 2.321 10 0 CEAERO COCc1nc(N2CCCC[C@H]2C)sc1C[NH3+] ZINC000082447179 178025899 /nfs/dbraw/zinc/02/58/99/178025899.db2.gz BWGOVUCBXGBLFX-SECBINFHSA-N 1 0 255.387 2.127 10 0 CEAERO COCc1nc(N2CCCCCC2)sc1C[NH3+] ZINC000082447341 178026841 /nfs/dbraw/zinc/02/68/41/178026841.db2.gz NKYSYFNXVJXMOT-UHFFFAOYSA-N 1 0 255.387 2.129 10 0 CEAERO [NH3+]C[C@H](O[C@@H]1CCOC1)c1ccc(Br)cc1 ZINC000082452961 178031585 /nfs/dbraw/zinc/03/15/85/178031585.db2.gz HIYNQFOOYSCYDX-NEPJUHHUSA-N 1 0 286.169 2.254 10 0 CEAERO NC(=[NH2+])c1cc(F)ccc1Sc1nncs1 ZINC000082522802 178087804 /nfs/dbraw/zinc/08/78/04/178087804.db2.gz KMAUIAADHRWGOI-UHFFFAOYSA-N 1 0 254.315 2.112 10 0 CEAERO C[C@H]([NH3+])Cc1ccc(Br)cc1N(C)C ZINC000082611590 178125870 /nfs/dbraw/zinc/12/58/70/178125870.db2.gz BZLBTYDIEYUNRT-QMMMGPOBSA-N 1 0 257.175 2.405 10 0 CEAERO C[NH2+]CCc1noc(-c2sccc2Br)n1 ZINC000082614404 178126460 /nfs/dbraw/zinc/12/64/60/178126460.db2.gz BHVUSMYFPDMOOA-UHFFFAOYSA-N 1 0 288.170 2.323 10 0 CEAERO Cc1ccc([C@H](C)[NH2+]C2CCN(C(N)=O)CC2)cc1C ZINC000121516729 365578805 /nfs/dbraw/zinc/57/88/05/365578805.db2.gz LJRZYODUVTUFRP-ZDUSSCGKSA-N 1 0 275.396 2.497 10 0 CEAERO O[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1 ZINC000096028679 185067044 /nfs/dbraw/zinc/06/70/44/185067044.db2.gz HUVGDTRCZVNHGX-RTBURBONSA-N 1 0 296.414 2.412 10 0 CEAERO NC(=[NH2+])CCOc1ccc(Br)cc1F ZINC000034957342 361799936 /nfs/dbraw/zinc/79/99/36/361799936.db2.gz NCSMHSBCLLWXGN-UHFFFAOYSA-N 1 0 261.094 2.293 10 0 CEAERO COc1ccc(CN2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1OC ZINC000082728994 178245648 /nfs/dbraw/zinc/24/56/48/178245648.db2.gz GNUVNPRIRGKHKQ-CABCVRRESA-N 1 0 290.407 2.278 10 0 CEAERO CC[NH2+][C@H]1CC[C@@H](S(=O)(=O)c2cccs2)C1 ZINC000082819982 178316140 /nfs/dbraw/zinc/31/61/40/178316140.db2.gz OJICNPSTPVGFSS-VHSXEESVSA-N 1 0 259.396 2.052 10 0 CEAERO C[C@@H]([NH3+])[C@@H](CO)Sc1cccc(Br)c1 ZINC000082988170 178332412 /nfs/dbraw/zinc/33/24/12/178332412.db2.gz SPUBOHSHPXKUMP-GMSGAONNSA-N 1 0 276.199 2.249 10 0 CEAERO [NH3+][C@H](CCO)CSc1nc2ccccc2s1 ZINC000082988904 178332638 /nfs/dbraw/zinc/33/26/38/178332638.db2.gz WUCSSOSAHQEHGB-MRVPVSSYSA-N 1 0 254.380 2.098 10 0 CEAERO C[NH2+][C@@H](c1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 ZINC000082998675 178333027 /nfs/dbraw/zinc/33/30/27/178333027.db2.gz HAYAOPNIWFZNSN-OIBJUYFYSA-N 1 0 279.814 2.097 10 0 CEAERO [NH3+]CC1(c2ccc(Br)cc2)CC(=O)C1 ZINC000082999598 178334104 /nfs/dbraw/zinc/33/41/04/178334104.db2.gz NJVBEZKZEMLIOT-UHFFFAOYSA-N 1 0 254.127 2.009 10 0 CEAERO Cc1csc(SCC[C@H](CO)[NH2+]C(C)C)n1 ZINC000082907220 178329399 /nfs/dbraw/zinc/32/93/99/178329399.db2.gz RYZZEHNYPLLBKU-SNVBAGLBSA-N 1 0 260.428 2.293 10 0 CEAERO CCC[NH2+][C@H](CO)CSc1ccc(Cl)cn1 ZINC000082905440 178329419 /nfs/dbraw/zinc/32/94/19/178329419.db2.gz RWOGLZWIPPOWNP-SNVBAGLBSA-N 1 0 260.790 2.188 10 0 CEAERO C[C@]([NH3+])(CO)CCCSc1ncccc1Cl ZINC000082905479 178329695 /nfs/dbraw/zinc/32/96/95/178329695.db2.gz ZCYRJXNSNJTTLS-LLVKDONJSA-N 1 0 260.790 2.317 10 0 CEAERO C[C@@H](CO)C[NH2+]CCOc1cccc(Br)c1 ZINC000083386060 178394833 /nfs/dbraw/zinc/39/48/33/178394833.db2.gz SBOPYUZOOCMYAH-SNVBAGLBSA-N 1 0 288.185 2.046 10 0 CEAERO CCCC[C@@H](COC)[NH2+][C@@H]1CCCn2nc(COC)nc21 ZINC000125302727 187178807 /nfs/dbraw/zinc/17/88/07/187178807.db2.gz YOGSCQYBIIJEAY-QWHCGFSZSA-N 1 0 296.415 2.054 10 0 CEAERO CCCOc1ccccc1NC(=O)CSCC[NH3+] ZINC000096751693 185111417 /nfs/dbraw/zinc/11/14/17/185111417.db2.gz ATSAFZSBTHTBKX-UHFFFAOYSA-N 1 0 268.382 2.106 10 0 CEAERO CC[C@H]([NH3+])[C@@H](O)c1cc(Br)ccc1F ZINC000036779128 361856458 /nfs/dbraw/zinc/85/64/58/361856458.db2.gz YZXVMQXSMQCSMU-UWVGGRQHSA-N 1 0 262.122 2.359 10 0 CEAERO COc1ccc(-c2noc([C@H]3CCC[NH2+]C3)n2)cc1OC ZINC000036820248 361861335 /nfs/dbraw/zinc/86/13/35/361861335.db2.gz VMIWSNIMVPSLMI-NSHDSACASA-N 1 0 289.335 2.221 10 0 CEAERO CC[C@H](NC(=O)[C@H]1CCC[NH2+]C1)c1ccc(OC)cc1 ZINC000037030118 361888909 /nfs/dbraw/zinc/88/89/09/361888909.db2.gz HUAJMIMSKKEIAX-ZFWWWQNUSA-N 1 0 276.380 2.262 10 0 CEAERO Brc1ccc(-n2cncc2[C@H]2CC[NH2+]C2)nc1 ZINC000097014102 185151282 /nfs/dbraw/zinc/15/12/82/185151282.db2.gz KXMKUOIAZQUTJJ-VIFPVBQESA-N 1 0 293.168 2.107 10 0 CEAERO CC[C@@H]1CN(Cc2ccncc2Cl)CC[N@@H+]1CCOC ZINC000173680495 529397351 /nfs/dbraw/zinc/39/73/51/529397351.db2.gz UJSRSUYKCYZCJF-CQSZACIVSA-N 1 0 297.830 2.278 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000037799231 361941318 /nfs/dbraw/zinc/94/13/18/361941318.db2.gz VJHDGKORKUGXMR-ZDUSSCGKSA-N 1 0 284.787 2.305 10 0 CEAERO C[C@H](NC(=O)C[NH2+]C1CC1)c1cccc(Cl)c1 ZINC000037976049 361969539 /nfs/dbraw/zinc/96/95/39/361969539.db2.gz ZYCOGEYFBAYNIP-VIFPVBQESA-N 1 0 252.745 2.269 10 0 CEAERO C[NH2+]C[C@H]1CCCN(c2ncnc3ccsc32)C1 ZINC000040602034 361995248 /nfs/dbraw/zinc/99/52/48/361995248.db2.gz BHYKXSQFSHXEIZ-SNVBAGLBSA-N 1 0 262.382 2.127 10 0 CEAERO Cc1nccc(C[NH2+]C[C@H]2CCOc3ccccc32)n1 ZINC000159049768 282184250 /nfs/dbraw/zinc/18/42/50/282184250.db2.gz DPFCHGPRLICICB-CYBMUJFWSA-N 1 0 269.348 2.441 10 0 CEAERO CC(C)(C)OC(=O)N1CCO[C@@H](c2ccc(C[NH3+])cc2)C1 ZINC000117720306 539169611 /nfs/dbraw/zinc/16/96/11/539169611.db2.gz BEOPBNFOLOEFOJ-CQSZACIVSA-N 1 0 292.379 2.454 10 0 CEAERO CCc1cc(Br)cc2c1NC[C@]21C[C@@H]1[NH3+] ZINC000725247821 539192558 /nfs/dbraw/zinc/19/25/58/539192558.db2.gz ZQBSQBCRIXWFJW-CMPLNLGQSA-N 1 0 267.170 2.406 10 0 CEAERO CCc1cc2c(ncnc2N2C[C@@H]([NH3+])C[C@H]2C)s1 ZINC000385275781 539198778 /nfs/dbraw/zinc/19/87/78/539198778.db2.gz UMOHLBVDLQTXFD-BDAKNGLRSA-N 1 0 262.382 2.180 10 0 CEAERO CCCCNC(=O)N1CCC[C@H]([C@@]23CC[C@@H]2CC[NH2+]3)C1 ZINC000725263488 539212390 /nfs/dbraw/zinc/21/23/90/539212390.db2.gz JUJKVUWWPFETER-IJEWVQPXSA-N 1 0 279.428 2.350 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+][C@H]2CCC[C@@H](O)C2)c1C ZINC000218812833 539247717 /nfs/dbraw/zinc/24/77/17/539247717.db2.gz JMIWELCQXZFJIK-LEWSCRJBSA-N 1 0 265.401 2.474 10 0 CEAERO C[C@H](C[NH2+]C1C2CC3CC(C2)CC1C3)N1CCOCC1 ZINC000126138762 365699572 /nfs/dbraw/zinc/69/95/72/365699572.db2.gz NMBFEVWFJDUXQU-XXXXFFMBSA-N 1 0 278.440 2.121 10 0 CEAERO CCc1ncc(C[NH2+][C@H]2CCCC[C@H]2CO)s1 ZINC000084045712 539282242 /nfs/dbraw/zinc/28/22/42/539282242.db2.gz CQHOFMYLOXLEJB-JQWIXIFHSA-N 1 0 254.399 2.346 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1oc(C)nc1C ZINC000311829600 539286600 /nfs/dbraw/zinc/28/66/00/539286600.db2.gz LGECBYULQYGMRN-KBPBESRZSA-N 1 0 263.385 2.350 10 0 CEAERO COC(=O)[C@@H](CC(C)C)[N@H+](C)C[C@@H]1CCSC1 ZINC000449423950 282230435 /nfs/dbraw/zinc/23/04/35/282230435.db2.gz ORAWHAJABYXVKU-NWDGAFQWSA-N 1 0 259.415 2.259 10 0 CEAERO CCC[C@@H](C(=O)NCCc1cc(F)ccc1F)[NH+](C)C ZINC000127277234 365739230 /nfs/dbraw/zinc/73/92/30/365739230.db2.gz YDYAIKORKPOXRK-AWEZNQCLSA-N 1 0 284.350 2.354 10 0 CEAERO CCS(=O)(=O)c1ccccc1NCCC1(C[NH3+])CC1 ZINC000395838037 539293344 /nfs/dbraw/zinc/29/33/44/539293344.db2.gz CKIABMUUQJECGG-UHFFFAOYSA-N 1 0 282.409 2.021 10 0 CEAERO COC(=O)[C@H]1C[N@H+](C)CC[C@@H]1c1ccc(F)cc1 ZINC000013476910 343367580 /nfs/dbraw/zinc/36/75/80/343367580.db2.gz NTYATEQGMUSJQM-OLZOCXBDSA-N 1 0 251.301 2.034 10 0 CEAERO [NH3+]C1CN(Cc2ccccc2)CCN(Cc2ccccc2)C1 ZINC000036430385 343423189 /nfs/dbraw/zinc/42/31/89/343423189.db2.gz FLROFNGUNBQOIE-UHFFFAOYSA-N 1 0 295.430 2.332 10 0 CEAERO CC[NH+](CC)CCOC(=O)[C@@H](CO)c1ccc(Cl)cc1 ZINC000029412318 343400083 /nfs/dbraw/zinc/40/00/83/343400083.db2.gz UFNOFMWCLJLPJI-AWEZNQCLSA-N 1 0 299.798 2.301 10 0 CEAERO CCOc1ccccc1OC[C@H](O)C[NH2+]C1CCCC1 ZINC000032125990 343411748 /nfs/dbraw/zinc/41/17/48/343411748.db2.gz SEERPFLCXVIXGH-CQSZACIVSA-N 1 0 279.380 2.357 10 0 CEAERO CCOc1cc(C[NH3+])ccc1OC[C@H]1CCCO1 ZINC000034957153 343421275 /nfs/dbraw/zinc/42/12/75/343421275.db2.gz PVWGHHCIPIWYAA-GFCCVEGCSA-N 1 0 251.326 2.102 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)N[C@H](C)c1cc(F)ccc1F ZINC000037007721 343425111 /nfs/dbraw/zinc/42/51/11/343425111.db2.gz QIHFJHXDBSRYRR-PRHODGIISA-N 1 0 256.296 2.269 10 0 CEAERO COc1ccc(C[NH2+][C@H]2CCC[C@@H](O)C2)cc1OC ZINC000037164303 343426166 /nfs/dbraw/zinc/42/61/66/343426166.db2.gz DDUCQIYMZVLJLT-QWHCGFSZSA-N 1 0 265.353 2.097 10 0 CEAERO CCN(CC)c1ccc(NC(=O)C2CCC([NH3+])CC2)cn1 ZINC000037628472 343430469 /nfs/dbraw/zinc/43/04/69/343430469.db2.gz BDCZSCQKOZESQL-UHFFFAOYSA-N 1 0 290.411 2.384 10 0 CEAERO [NH3+]Cc1ccc(C(=O)NOCc2ccccc2)cc1 ZINC000038314063 343434227 /nfs/dbraw/zinc/43/42/27/343434227.db2.gz QLUHRFAPKULWRK-UHFFFAOYSA-N 1 0 256.305 2.007 10 0 CEAERO CCCCOC[C@@H](O)C[NH2+]C[C@H]1Cc2ccccc21 ZINC000227894090 539323445 /nfs/dbraw/zinc/32/34/45/539323445.db2.gz HCOYBQOVRYUXRX-CABCVRRESA-N 1 0 263.381 2.094 10 0 CEAERO CN(Cc1cccc(F)c1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054290596 343586968 /nfs/dbraw/zinc/58/69/68/343586968.db2.gz VSFCXYVTLIPHRL-LBPRGKRZSA-N 1 0 264.344 2.174 10 0 CEAERO CC[N@H+](C[C@H](O)COCc1ccccc1)C1CCC1 ZINC000336719399 365781649 /nfs/dbraw/zinc/78/16/49/365781649.db2.gz SCMWHHVZBXANRU-INIZCTEOSA-N 1 0 263.381 2.439 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000092133743 290705708 /nfs/dbraw/zinc/70/57/08/290705708.db2.gz LDDABUWFTSEKBE-IDKOKCKLSA-N 1 0 266.307 2.079 10 0 CEAERO C[C@@H](CC(=O)N[C@@H](C)c1ccccn1)[C@@H]1CCC[NH2+]C1 ZINC000127119195 187282783 /nfs/dbraw/zinc/28/27/83/187282783.db2.gz LIAUMXIRLWKHEQ-MELADBBJSA-N 1 0 275.396 2.285 10 0 CEAERO Cc1ccc(CN2CC[C@@](C)(O)[C@H]([NH+]3CCCC3)C2)s1 ZINC000097942666 344246739 /nfs/dbraw/zinc/24/67/39/344246739.db2.gz VKWPCRQKTRPJKV-HZPDHXFCSA-N 1 0 294.464 2.478 10 0 CEAERO COC(=O)[C@H]1C[N@H+](C)CC[C@@H]1c1ccc(C)c(F)c1 ZINC000114031466 344278919 /nfs/dbraw/zinc/27/89/19/344278919.db2.gz BGDRSBWHWDRRJM-OLZOCXBDSA-N 1 0 265.328 2.342 10 0 CEAERO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC000116924538 344288237 /nfs/dbraw/zinc/28/82/37/344288237.db2.gz BIEPZFCAZKUWNM-NEPJUHHUSA-N 1 0 287.281 2.470 10 0 CEAERO CC(=O)NC1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000124241129 344313743 /nfs/dbraw/zinc/31/37/43/344313743.db2.gz ZLFVZYTXMPCLLY-UHFFFAOYSA-N 1 0 283.375 2.335 10 0 CEAERO [NH3+][C@@H]1C[C@H]1c1ncc(Br)cc1Br ZINC000130024218 344348729 /nfs/dbraw/zinc/34/87/29/344348729.db2.gz DWIOQFVGWWIZFS-IYSWYEEDSA-N 1 0 291.974 2.421 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1OCc1ccc(Br)o1 ZINC000131336129 344357268 /nfs/dbraw/zinc/35/72/68/344357268.db2.gz CNKZFHXWCRIQAY-RKDXNWHRSA-N 1 0 260.131 2.439 10 0 CEAERO CCc1ccc(C[NH2+]C[C@H]2CN(CC)CCO2)s1 ZINC000134476100 344373908 /nfs/dbraw/zinc/37/39/08/344373908.db2.gz OLFQYFLHVVANLY-LBPRGKRZSA-N 1 0 268.426 2.121 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]Cc2cc(C)cc(C)c2)C1 ZINC000134434222 344374049 /nfs/dbraw/zinc/37/40/49/344374049.db2.gz RHKQFWTZFPAWBT-INIZCTEOSA-N 1 0 262.397 2.114 10 0 CEAERO CCN1CCO[C@H](CNc2cc[nH+]c3ccccc23)C1 ZINC000134510168 344374914 /nfs/dbraw/zinc/37/49/14/344374914.db2.gz GHKWUKSBHJIHLR-CYBMUJFWSA-N 1 0 271.364 2.367 10 0 CEAERO Cc1ccc(NC(=O)N[C@@H]2C[C@@H]2C)c(OCC[NH+](C)C)c1 ZINC000154618533 344435475 /nfs/dbraw/zinc/43/54/75/344435475.db2.gz DYBAEOKVICCBPY-GXTWGEPZSA-N 1 0 291.395 2.465 10 0 CEAERO Cc1cc(N2CC3(CN(C(=O)OC(C)(C)C)C3)C2)cc[nH+]1 ZINC000146462722 344410517 /nfs/dbraw/zinc/41/05/17/344410517.db2.gz AIKYOOFQVKFAHF-UHFFFAOYSA-N 1 0 289.379 2.447 10 0 CEAERO C[NH+](C)C[C@H]1CCN(c2cc(N)c([N+](=O)[O-])cc2Cl)C1 ZINC000149171338 344414986 /nfs/dbraw/zinc/41/49/86/344414986.db2.gz QDYSJENUSNQTIN-SECBINFHSA-N 1 0 298.774 2.218 10 0 CEAERO CC[C@H]1CCC[NH2+][C@@H]1CN1C(=O)c2ccccc2C1=O ZINC000159081917 344453357 /nfs/dbraw/zinc/45/33/57/344453357.db2.gz NRLRVDTZJBXFLV-SMDDNHRTSA-N 1 0 272.348 2.061 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]1)c1ccc(Br)o1 ZINC000164775901 344472798 /nfs/dbraw/zinc/47/27/98/344472798.db2.gz ISBVJAHYTAZCDG-SSDOTTSWSA-N 1 0 258.115 2.367 10 0 CEAERO [NH3+]Cc1ccc(N2C(=O)c3ccccc3C2=O)c(F)c1 ZINC000168301458 344480196 /nfs/dbraw/zinc/48/01/96/344480196.db2.gz NXPVVMUZPLPGHQ-UHFFFAOYSA-N 1 0 270.263 2.085 10 0 CEAERO Cc1cc(N(C)CC[NH+](C)C)nc2ccc(N)cc12 ZINC000168676414 344481130 /nfs/dbraw/zinc/48/11/30/344481130.db2.gz GEBDBJVPIAEUIU-UHFFFAOYSA-N 1 0 258.369 2.123 10 0 CEAERO C[C@@H]1C[C@@H]1NC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000170809429 344490605 /nfs/dbraw/zinc/49/06/05/344490605.db2.gz IPLKLXUWODMPQP-OCCSQVGLSA-N 1 0 267.417 2.349 10 0 CEAERO CC(C)(C)OC(=O)N1CC([C@@H]([NH3+])C2CCCC2)C1 ZINC000214776494 344533924 /nfs/dbraw/zinc/53/39/24/344533924.db2.gz NMMLZJDVAKZUKJ-LBPRGKRZSA-N 1 0 254.374 2.371 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1C(=O)[C@H]1CCc2ccccc2C1 ZINC000223549854 344542840 /nfs/dbraw/zinc/54/28/40/344542840.db2.gz VYNJEANWOPWJSZ-HOTGVXAUSA-N 1 0 272.392 2.131 10 0 CEAERO C[N@@H+]1CCC[C@H]1CNc1nc(Br)cs1 ZINC000226095896 344548618 /nfs/dbraw/zinc/54/86/18/344548618.db2.gz UOTRPEWFMXZTEZ-ZETCQYMHSA-N 1 0 276.203 2.412 10 0 CEAERO CCCCOC[C@H](O)C[NH2+][C@@H](C)Cc1cccs1 ZINC000227892537 344557455 /nfs/dbraw/zinc/55/74/55/344557455.db2.gz DSNKBVAMXZRMPM-QWHCGFSZSA-N 1 0 271.426 2.446 10 0 CEAERO OCC[C@@H]1CC[N@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000229395754 344567768 /nfs/dbraw/zinc/56/77/68/344567768.db2.gz OSKUFZLFJJDWGX-KBPBESRZSA-N 1 0 253.386 2.183 10 0 CEAERO C[C@@H]([NH3+])c1noc(-c2ccoc2Br)n1 ZINC000235174907 344589834 /nfs/dbraw/zinc/58/98/34/344589834.db2.gz JZCFKTPMRLHZDV-SCSAIBSYSA-N 1 0 258.075 2.112 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@H]1NC(=O)NCc1ccccc1 ZINC000232306474 344577325 /nfs/dbraw/zinc/57/73/25/344577325.db2.gz KTZOMFVHDAPQOV-ZIAGYGMSSA-N 1 0 261.369 2.146 10 0 CEAERO CCS[C@@H]1CCC[C@@H]1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000233973841 344583031 /nfs/dbraw/zinc/58/30/31/344583031.db2.gz GPDOGBDFKHINEG-RWMBFGLXSA-N 1 0 270.442 2.167 10 0 CEAERO CS[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COCc2ccco2)C1 ZINC000235220325 344589482 /nfs/dbraw/zinc/58/94/82/344589482.db2.gz QOJBDVFYZSDDIR-GZBFAFLISA-N 1 0 299.436 2.421 10 0 CEAERO CCc1nc(C[N@@H+]2CCC[C@@H]2CCCO)cs1 ZINC000052762943 362473539 /nfs/dbraw/zinc/47/35/39/362473539.db2.gz QUYIXETVTXTZGH-GFCCVEGCSA-N 1 0 254.399 2.442 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@H]1C[C@H](OCC)C1(CC)CC ZINC000262110441 344653801 /nfs/dbraw/zinc/65/38/01/344653801.db2.gz GXXBXBIZKUXPJM-AVGNSLFASA-N 1 0 270.417 2.214 10 0 CEAERO CO[C@H](C)c1cccc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000262630887 344654946 /nfs/dbraw/zinc/65/49/46/344654946.db2.gz WENQHELSIOUAHD-RTXFEEFZSA-N 1 0 262.353 2.460 10 0 CEAERO CC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CN(CC)CCO2)C1 ZINC000252512854 344640188 /nfs/dbraw/zinc/64/01/88/344640188.db2.gz BRCRJDLUDILMRK-KFWWJZLASA-N 1 0 254.418 2.266 10 0 CEAERO C[NH2+][C@H](C)c1nc(-c2ccc(Br)o2)no1 ZINC000258168864 344648400 /nfs/dbraw/zinc/64/84/00/344648400.db2.gz XHEHHOKJMGWUGJ-RXMQYKEDSA-N 1 0 272.102 2.373 10 0 CEAERO [NH3+][C@H]1C[C@@H]1c1cccc(I)c1 ZINC000307089454 344720045 /nfs/dbraw/zinc/72/00/45/344720045.db2.gz VEFCTWCDXVTTGZ-BDAKNGLRSA-N 1 0 259.090 2.106 10 0 CEAERO [NH3+]C[C@H]1C[C@@H]1c1ccc(I)cc1 ZINC000307336264 344721972 /nfs/dbraw/zinc/72/19/72/344721972.db2.gz HFNIKUAYDHNWDS-PSASIEDQSA-N 1 0 273.117 2.353 10 0 CEAERO Cc1ccc(C[NH2+][C@@H]2C[C@H]2CO)c(Br)c1 ZINC000309245481 344728907 /nfs/dbraw/zinc/72/89/07/344728907.db2.gz ZDQTWHWWSUUIKT-CMPLNLGQSA-N 1 0 270.170 2.228 10 0 CEAERO C[C@@H]([NH3+])[C@H](C)Nc1ccc(I)cc1 ZINC000306231124 344712423 /nfs/dbraw/zinc/71/24/23/344712423.db2.gz BTEPXRRSJUDCBY-SFYZADRCSA-N 1 0 290.148 2.439 10 0 CEAERO [NH3+][C@H]1CCc2cc(N3C(=O)c4ccccc4C3=O)ccc2C1 ZINC000306281254 344712936 /nfs/dbraw/zinc/71/29/36/344712936.db2.gz WGXVJLQDGNSKBI-ZDUSSCGKSA-N 1 0 292.338 2.303 10 0 CEAERO CC(C)(C)[C@@H](O)C[NH2+]CCOCc1ccccc1 ZINC000324597081 344754113 /nfs/dbraw/zinc/75/41/13/344754113.db2.gz HFTRXHPZJILXPN-AWEZNQCLSA-N 1 0 251.370 2.200 10 0 CEAERO Cc1cc(NC(=O)CC[C@H](CC[NH3+])C(C)C)n(C)n1 ZINC000083718479 178722786 /nfs/dbraw/zinc/72/27/86/178722786.db2.gz LPZSEOGMEHTGNE-GFCCVEGCSA-N 1 0 266.389 2.068 10 0 CEAERO Cc1c(CN(CCC[NH3+])c2cccc(F)c2)cnn1C ZINC000273214897 192077456 /nfs/dbraw/zinc/07/74/56/192077456.db2.gz ULXLSDPMOXALKI-UHFFFAOYSA-N 1 0 276.359 2.223 10 0 CEAERO CC[NH+](CC)CCNC(=O)[C@H]1Cc2ccccc2N[C@H]1C ZINC000083767916 178744736 /nfs/dbraw/zinc/74/47/36/178744736.db2.gz NCXOYCXYOWRKCL-ZFWWWQNUSA-N 1 0 289.423 2.117 10 0 CEAERO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1C[C@H]1CCC[C@@H](O)C1 ZINC000380748194 344823256 /nfs/dbraw/zinc/82/32/56/344823256.db2.gz NBKAFFFQZAKSMC-MJBXVCDLSA-N 1 0 283.412 2.344 10 0 CEAERO Cc1cc(C)c(C[NH2+][C@@H]2CCCN(CCO)C2)cc1C ZINC000384425984 344828327 /nfs/dbraw/zinc/82/83/27/344828327.db2.gz UJXABWROFONTHM-QGZVFWFLSA-N 1 0 276.424 2.158 10 0 CEAERO CCOC(=O)CC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1C ZINC000385406060 344830309 /nfs/dbraw/zinc/83/03/09/344830309.db2.gz FHYDCTJMZLNSGN-UONOGXRCSA-N 1 0 279.380 2.350 10 0 CEAERO OCCN1CCC([NH2+]CCC2CCCCC2)CC1 ZINC000399192400 344857174 /nfs/dbraw/zinc/85/71/74/344857174.db2.gz QMWIZVJVVSFEPC-UHFFFAOYSA-N 1 0 254.418 2.003 10 0 CEAERO CC[NH2+][C@@H](c1ccc(OC)cc1)[C@H](C)[S@](C)=O ZINC000084046769 178778291 /nfs/dbraw/zinc/77/82/91/178778291.db2.gz GOLUGJJWGJPINM-MNRXQERYSA-N 1 0 255.383 2.113 10 0 CEAERO COC(=O)CCCCCCc1cccnc1C[NH3+] ZINC000584652316 344973429 /nfs/dbraw/zinc/97/34/29/344973429.db2.gz OJEXVWHUOWPZGJ-UHFFFAOYSA-N 1 0 250.342 2.206 10 0 CEAERO [NH3+]C1(Cc2nc(Cc3ccccn3)no2)CCCCC1 ZINC000084143956 178801508 /nfs/dbraw/zinc/80/15/08/178801508.db2.gz BGFQPNIGPAATHV-UHFFFAOYSA-N 1 0 272.352 2.260 10 0 CEAERO Cc1nc(C)c([C@H](C)NC(=O)CC(C)(C)[NH3+])s1 ZINC000084183850 178818077 /nfs/dbraw/zinc/81/80/77/178818077.db2.gz HJECRXZBARUUFH-QMMMGPOBSA-N 1 0 255.387 2.065 10 0 CEAERO Cc1nc(CNC(=O)CC2([NH3+])CCCCC2)cs1 ZINC000084184812 178818619 /nfs/dbraw/zinc/81/86/19/178818619.db2.gz XSOBXNKVIGZSCB-UHFFFAOYSA-N 1 0 267.398 2.119 10 0 CEAERO C[C@H](NC(=O)C[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000054292945 362523196 /nfs/dbraw/zinc/52/31/96/362523196.db2.gz JPBLMHKGCVVSCC-STQMWFEESA-N 1 0 252.402 2.461 10 0 CEAERO C[C@@H]1CCC[C@H](N(C)C(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000054291366 362523289 /nfs/dbraw/zinc/52/32/89/362523289.db2.gz UKHWISLTTAZPBY-RDBSUJKOSA-N 1 0 252.402 2.413 10 0 CEAERO CC(=O)c1ccc(NC(=O)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000054308830 362526530 /nfs/dbraw/zinc/52/65/30/362526530.db2.gz NMLSHQRYJVZABF-LBPRGKRZSA-N 1 0 260.337 2.217 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1S(=O)(=O)c1ccc(F)cc1F ZINC000084269763 178836416 /nfs/dbraw/zinc/83/64/16/178836416.db2.gz GORKENYEWMGDAX-JOYOIKCWSA-N 1 0 289.347 2.256 10 0 CEAERO COc1ccc(-c2noc([C@@H]3CC[C@@H]([NH3+])C3)n2)cc1 ZINC000097067819 185520503 /nfs/dbraw/zinc/52/05/03/185520503.db2.gz AQJHVBPWZZXBHJ-GHMZBOCLSA-N 1 0 259.309 2.340 10 0 CEAERO [NH3+][C@@H]1CC[C@H](c2nc(Cc3nc4ccccc4[nH]3)no2)C1 ZINC000097068379 185521072 /nfs/dbraw/zinc/52/10/72/185521072.db2.gz ACKLWMLYINISRL-VHSXEESVSA-N 1 0 283.335 2.132 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)CSCc1ccc(F)cc1 ZINC000592332201 345342898 /nfs/dbraw/zinc/34/28/98/345342898.db2.gz GCRYOVSRINGWHW-BXUZGUMPSA-N 1 0 296.411 2.316 10 0 CEAERO [NH3+][C@H]1CC[C@@H](C(=O)Nc2cccc3ncccc32)C1 ZINC000097092202 185529067 /nfs/dbraw/zinc/52/90/67/185529067.db2.gz MHPJMKFDQJXIFO-MNOVXSKESA-N 1 0 255.321 2.301 10 0 CEAERO CN[C@@](C)(C[C@@H](C)[NH+]1CCCCCCC1)C(=O)OC ZINC000084296321 178848795 /nfs/dbraw/zinc/84/87/95/178848795.db2.gz QACYNLADWHNGCY-HIFRSBDPSA-N 1 0 270.417 2.182 10 0 CEAERO CCOC(=O)[C@](C)(C[C@H](C)[NH+]1CCCC1)NC(C)C ZINC000084298783 178849449 /nfs/dbraw/zinc/84/94/49/178849449.db2.gz AAEHQZVKUUHYJV-ZFWWWQNUSA-N 1 0 270.417 2.181 10 0 CEAERO COC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)nc1 ZINC000592180028 345334836 /nfs/dbraw/zinc/33/48/36/345334836.db2.gz GCTIVYGWBDRSDI-ZLKJLUDKSA-N 1 0 260.337 2.146 10 0 CEAERO CCc1nnc(NC[C@H]([NH3+])c2ccccc2)nc1CC ZINC000097837898 232187421 /nfs/dbraw/zinc/18/74/21/232187421.db2.gz FSMUVUHWUBEXNR-LBPRGKRZSA-N 1 0 271.368 2.108 10 0 CEAERO CC[NH2+][C@H](C)C[C@@H](C)S(=O)(=O)c1ccc(F)cc1 ZINC000084356429 178867484 /nfs/dbraw/zinc/86/74/84/178867484.db2.gz RMIRRZXYKVCIEQ-GHMZBOCLSA-N 1 0 273.373 2.376 10 0 CEAERO Cc1ccc(S(=O)(=O)[C@H](C)C[C@@H](C)[NH3+])cc1C ZINC000084356449 178867528 /nfs/dbraw/zinc/86/75/28/178867528.db2.gz YMHWXWLDDUWCFO-VXGBXAGGSA-N 1 0 255.383 2.203 10 0 CEAERO C[NH2+][C@@H](C)C[C@@H](C)S(=O)(=O)c1ccccc1C ZINC000084357388 178868296 /nfs/dbraw/zinc/86/82/96/178868296.db2.gz MGLOCRABUNKXHF-NWDGAFQWSA-N 1 0 255.383 2.155 10 0 CEAERO CCC(C)(C)O[C@H](C)C[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000084367039 178874890 /nfs/dbraw/zinc/87/48/90/178874890.db2.gz LXHNGRARILLNGU-BXUZGUMPSA-N 1 0 258.406 2.212 10 0 CEAERO C[NH2+][C@@H]1CC[C@@H](S(=O)(=O)c2ccc3c(c2)CCC3)C1 ZINC000084433379 178887420 /nfs/dbraw/zinc/88/74/20/178887420.db2.gz GYEOVJOUWIWKSA-UKRRQHHQSA-N 1 0 279.405 2.090 10 0 CEAERO CCC[NH2+][C@@H](c1ccnn1CCC)c1cc(C)nn1C ZINC000097185296 185557379 /nfs/dbraw/zinc/55/73/79/185557379.db2.gz SEOKMTSBJRURHV-HNNXBMFYSA-N 1 0 275.400 2.424 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)C2CCCCC2)C1 ZINC000057870604 362598123 /nfs/dbraw/zinc/59/81/23/362598123.db2.gz BNASCVOQKKNAJI-ZDUSSCGKSA-N 1 0 267.417 2.445 10 0 CEAERO [NH3+]Cc1ccc2c(c1)N(Cc1ccccc1)C(=O)CO2 ZINC000074335853 136483790 /nfs/dbraw/zinc/48/37/90/136483790.db2.gz RDUDRHLNJNWTNW-UHFFFAOYSA-N 1 0 268.316 2.071 10 0 CEAERO C[NH2+][C@@H](CC[C@H]1CCCO1)c1c(C)nn(C)c1C ZINC000097237882 185570540 /nfs/dbraw/zinc/57/05/40/185570540.db2.gz ZRRNIWZPXDGBTK-OLZOCXBDSA-N 1 0 251.374 2.257 10 0 CEAERO C[NH2+][C@@H](Cc1cc(C)nn1C)c1cccc(N(C)C)c1 ZINC000097273304 185575465 /nfs/dbraw/zinc/57/54/65/185575465.db2.gz IONBDPIFDZZYHI-INIZCTEOSA-N 1 0 272.396 2.298 10 0 CEAERO CCn1nc(C)cc1C[C@@H]([NH2+]C)c1c(C)nn(C)c1C ZINC000097281543 185579045 /nfs/dbraw/zinc/57/90/45/185579045.db2.gz WYJQQGLZCAZHSE-CQSZACIVSA-N 1 0 275.400 2.065 10 0 CEAERO CCc1nnsc1[C@@H](Cc1cc(C)nn1CC)[NH2+]C ZINC000097281362 185578444 /nfs/dbraw/zinc/57/84/44/185578444.db2.gz QVNPELLEROXFHO-GFCCVEGCSA-N 1 0 279.413 2.129 10 0 CEAERO CCn1ncnc1C[C@@H]([NH2+]C)C1CCC(F)(F)CC1 ZINC000097280473 185578747 /nfs/dbraw/zinc/57/87/47/185578747.db2.gz UIIBWCOZXMHVRM-LLVKDONJSA-N 1 0 272.343 2.254 10 0 CEAERO CC(C)OCCOC[C@@H](O)C[NH2+]C1C[C@H](C)C[C@H](C)C1 ZINC000084975774 178937095 /nfs/dbraw/zinc/93/70/95/178937095.db2.gz ONGUBCKPPIZTIL-QXULXFAOSA-N 1 0 287.444 2.203 10 0 CEAERO CCC[NH2+][C@H](Cc1ccco1)C[C@H]1CCS(=O)(=O)C1 ZINC000097385321 185595795 /nfs/dbraw/zinc/59/57/95/185595795.db2.gz ZDPXINRQEMBGAP-OLZOCXBDSA-N 1 0 285.409 2.015 10 0 CEAERO C[C@](O)(CC[NH3+])Cc1ccc(Br)cc1 ZINC000084997033 178941510 /nfs/dbraw/zinc/94/15/10/178941510.db2.gz RWDUDTMEJGTALL-NSHDSACASA-N 1 0 258.159 2.091 10 0 CEAERO COC(=O)C[C@H](c1cccc(F)c1F)C(C)(C)[NH3+] ZINC000097433837 185603283 /nfs/dbraw/zinc/60/32/83/185603283.db2.gz JTFRXEYNUXRICF-SECBINFHSA-N 1 0 257.280 2.349 10 0 CEAERO CC(C)[NH2+]CCCS(=O)(=O)N[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000085061054 178945395 /nfs/dbraw/zinc/94/53/95/178945395.db2.gz DNQNSRXXIUPHFD-HZSPNIEDSA-N 1 0 290.473 2.119 10 0 CEAERO CCc1ccccc1CNC(=O)C1CCC([NH3+])CC1 ZINC000084202923 539502023 /nfs/dbraw/zinc/50/20/23/539502023.db2.gz MDSAUEHFPQUOHP-UHFFFAOYSA-N 1 0 260.381 2.383 10 0 CEAERO CC[NH2+][C@@H](c1cc(C)nnc1C)[C@H](C)CCOC ZINC000097424809 185601372 /nfs/dbraw/zinc/60/13/72/185601372.db2.gz MSFZXFZKTBXWKZ-QMTHXVAHSA-N 1 0 251.374 2.417 10 0 CEAERO CCOc1ccccc1[C@@H](CC(=O)OC)[C@H]([NH3+])CC ZINC000097432021 185602340 /nfs/dbraw/zinc/60/23/40/185602340.db2.gz GAJUSAXWYNKOJN-CHWSQXEVSA-N 1 0 265.353 2.469 10 0 CEAERO C[NH2+][C@@H](c1ccc(OC2CC2)cc1)c1ccnnc1 ZINC000097454674 185609397 /nfs/dbraw/zinc/60/93/97/185609397.db2.gz JSJBRGGUVVQDGZ-HNNXBMFYSA-N 1 0 255.321 2.327 10 0 CEAERO Cc1ccc([C@H]([NH3+])c2c(Br)cnn2C)c(C)n1 ZINC000097461370 185611105 /nfs/dbraw/zinc/61/11/05/185611105.db2.gz NBQDLLMWGSYMLP-NSHDSACASA-N 1 0 295.184 2.243 10 0 CEAERO COCCn1ncc(Cl)c1[C@@H]([NH3+])CCc1ccco1 ZINC000097461839 185611251 /nfs/dbraw/zinc/61/12/51/185611251.db2.gz YBNGRZAOYOBHKN-LBPRGKRZSA-N 1 0 283.759 2.409 10 0 CEAERO [NH3+]CC1CCC(C(=O)N2C[C@@H]3CCC[C@H]3C2)CC1 ZINC000097467101 185611933 /nfs/dbraw/zinc/61/19/33/185611933.db2.gz SLWLTHLPCTYVFM-HOAMVYINSA-N 1 0 250.386 2.010 10 0 CEAERO CC[C@H](C)n1ccc(CN2CCC(C(N)=[NH2+])CC2)n1 ZINC000085179751 178963762 /nfs/dbraw/zinc/96/37/62/178963762.db2.gz MDQQFDJFSRYCAX-NSHDSACASA-N 1 0 263.389 2.002 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCCN(C)c1ccccc1F ZINC000085214766 178978707 /nfs/dbraw/zinc/97/87/07/178978707.db2.gz FRCAREQQJGOLFE-OAHLLOKOSA-N 1 0 268.376 2.403 10 0 CEAERO C[C@@H]([NH2+]CCn1cc(Cl)cn1)c1cncc(F)c1 ZINC000336787222 365807018 /nfs/dbraw/zinc/80/70/18/365807018.db2.gz DMOFTHQOUBGMSP-SECBINFHSA-N 1 0 268.723 2.421 10 0 CEAERO CC(C)[NH2+][C@H](CO)CN1CCC(C(C)(C)C)CC1 ZINC000085210996 178973305 /nfs/dbraw/zinc/97/33/05/178973305.db2.gz OECDDTZZNZRRET-AWEZNQCLSA-N 1 0 256.434 2.103 10 0 CEAERO CCC[NH2+][C@H](CO)CCN(CCC)CC(F)(F)F ZINC000085241710 178982886 /nfs/dbraw/zinc/98/28/86/178982886.db2.gz YZETVVZRKGVBHW-NSHDSACASA-N 1 0 270.339 2.011 10 0 CEAERO CC(C)[NH2+][C@H](CO)CCN1c2ccccc2C[C@@H]1C ZINC000085215861 178979399 /nfs/dbraw/zinc/97/93/99/178979399.db2.gz JDRXHQJAEUCURQ-ZFWWWQNUSA-N 1 0 262.397 2.187 10 0 CEAERO CSC1(C[NH3+])CCN(c2ncnc3c2CCCC3)CC1 ZINC000094871691 136514843 /nfs/dbraw/zinc/51/48/43/136514843.db2.gz HORFIGILXOCQMN-UHFFFAOYSA-N 1 0 292.452 2.016 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@H](Cc1csc(C)n1)NN ZINC000097584060 185630529 /nfs/dbraw/zinc/63/05/29/185630529.db2.gz GFMJETMUFQNFGQ-UONOGXRCSA-N 1 0 284.473 2.336 10 0 CEAERO CC[C@@](C)([C@H](NN)C1=COCCC1)[NH+]1CCCCC1 ZINC000097585076 185631141 /nfs/dbraw/zinc/63/11/41/185631141.db2.gz DGPSGPDRZPWDCX-CABCVRRESA-N 1 0 267.417 2.167 10 0 CEAERO CCc1ccccc1O[C@@H](C)C[C@](C)(CO)[NH2+]C ZINC000085286400 179003786 /nfs/dbraw/zinc/00/37/86/179003786.db2.gz FKGPGBKUDTXVSO-SWLSCSKDSA-N 1 0 251.370 2.377 10 0 CEAERO C[NH2+][C@](CO)(COc1c(C)ccc(C)c1C)C1CC1 ZINC000085286220 179003948 /nfs/dbraw/zinc/00/39/48/179003948.db2.gz AXNRKKLWPUXTJJ-MRXNPFEDSA-N 1 0 263.381 2.351 10 0 CEAERO C[C@@H]1CC[C@@H](OC[C@@](C)(CO)[NH2+]C2CC2)C[C@@H]1C ZINC000085287142 179004662 /nfs/dbraw/zinc/00/46/62/179004662.db2.gz XTHBBJDIRVGDSV-AYRXBEOTSA-N 1 0 255.402 2.331 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)C[C@H](C)Sc1ccncn1 ZINC000085289920 179005920 /nfs/dbraw/zinc/00/59/20/179005920.db2.gz SSPZHISYTMFPJW-AAEUAGOBSA-N 1 0 269.414 2.096 10 0 CEAERO COc1cccc(SCCC[C@](C)([NH3+])CO)c1 ZINC000085291146 179007335 /nfs/dbraw/zinc/00/73/35/179007335.db2.gz GXLJBNIEYUYPIO-ZDUSSCGKSA-N 1 0 255.383 2.277 10 0 CEAERO C[NH2+][C@](CO)(CSc1nc2ccccc2o1)C1CC1 ZINC000085292459 179007730 /nfs/dbraw/zinc/00/77/30/179007730.db2.gz JSQDSIUVBBDNCO-CQSZACIVSA-N 1 0 278.377 2.280 10 0 CEAERO CCC[NH2+][C@@](C)(CO)C[C@@H](C)Sc1ncccn1 ZINC000085292824 179008294 /nfs/dbraw/zinc/00/82/94/179008294.db2.gz XQPNLPSCVHHRMA-DGCLKSJQSA-N 1 0 269.414 2.098 10 0 CEAERO Cc1nnc(S[C@@H](C)C[C@](C)(CO)[NH2+]C(C)C)s1 ZINC000085297103 179008497 /nfs/dbraw/zinc/00/84/97/179008497.db2.gz YTHWSWCGUZPHAU-JOYOIKCWSA-N 1 0 289.470 2.466 10 0 CEAERO C[NH2+][C@@](C)(CO)CCCCOc1ccc(OC)cc1 ZINC000085285667 179003158 /nfs/dbraw/zinc/00/31/58/179003158.db2.gz LJZBBFOHADVIMH-OAHLLOKOSA-N 1 0 267.369 2.215 10 0 CEAERO CCc1ccc(N(C)CCC[C@](C)(O)C[NH3+])cc1 ZINC000085303605 179011156 /nfs/dbraw/zinc/01/11/56/179011156.db2.gz QOGZEFFAPXYCNW-HNNXBMFYSA-N 1 0 250.386 2.175 10 0 CEAERO CCN(CCCC[C@@](C)(O)C[NH3+])c1ccccc1 ZINC000085304289 179011523 /nfs/dbraw/zinc/01/15/23/179011523.db2.gz SSSHLJZGVNGZON-OAHLLOKOSA-N 1 0 250.386 2.393 10 0 CEAERO C[C@@H](C[C@](C)(O)C[NH3+])OCCCc1ccccc1 ZINC000085305250 179012200 /nfs/dbraw/zinc/01/22/00/179012200.db2.gz PDODOFLXQVSBFX-ZFWWWQNUSA-N 1 0 251.370 2.124 10 0 CEAERO Cc1nn(C)c(CS[C@@H](C)C[NH3+])c1Br ZINC000085306562 179012827 /nfs/dbraw/zinc/01/28/27/179012827.db2.gz LMLVORXWXRYJFM-LURJTMIESA-N 1 0 278.219 2.071 10 0 CEAERO Cc1ccc2[nH]c(SCCC[C@@](C)(O)C[NH3+])nc2c1 ZINC000085307938 179013093 /nfs/dbraw/zinc/01/30/93/179013093.db2.gz QEESCLOWVBOGBS-CQSZACIVSA-N 1 0 279.409 2.453 10 0 CEAERO COCCn1c2ccccc2nc1[C@@H]1CCC[C@@H]1[NH3+] ZINC000085321873 179015716 /nfs/dbraw/zinc/01/57/16/179015716.db2.gz ISEOTKMZOBKNAH-NEPJUHHUSA-N 1 0 259.353 2.278 10 0 CEAERO C[C@H]([NH3+])Cc1c(Cl)cccc1N1CCOCC1 ZINC000104254283 136526144 /nfs/dbraw/zinc/52/61/44/136526144.db2.gz LRKRTLYRJJYJKI-JTQLQIEISA-N 1 0 254.761 2.066 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1c1nc(CCOc2ccccc2)no1 ZINC000085325181 179017753 /nfs/dbraw/zinc/01/77/53/179017753.db2.gz IQSHBKDXMJKHFI-QWHCGFSZSA-N 1 0 273.336 2.286 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)OCc1ccccc1F ZINC000085331265 179020724 /nfs/dbraw/zinc/02/07/24/179020724.db2.gz KMYBWRFUTWKKHY-WCQYABFASA-N 1 0 251.301 2.386 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000085355404 179030232 /nfs/dbraw/zinc/03/02/32/179030232.db2.gz NEVXBKULGNHGFB-GQWBEDRXSA-N 1 0 262.397 2.199 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)NCc1ccccc1Cl ZINC000085355975 179030318 /nfs/dbraw/zinc/03/03/18/179030318.db2.gz WGCUSMCWEFUCSE-ZYHUDNBSSA-N 1 0 252.745 2.084 10 0 CEAERO CN(Cc1ccc(F)cc1)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085358726 179031250 /nfs/dbraw/zinc/03/12/50/179031250.db2.gz VUWSYCQEUCCDLX-KBPBESRZSA-N 1 0 264.344 2.302 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000085362904 179034128 /nfs/dbraw/zinc/03/41/28/179034128.db2.gz RCZXGSKGPWNRQH-KWKJMZLKSA-N 1 0 276.424 2.445 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)N[C@H](c1ccccc1)C1CC1 ZINC000085363276 179034538 /nfs/dbraw/zinc/03/45/38/179034538.db2.gz LZSUAQHTJZYIMP-QLFBSQMISA-N 1 0 258.365 2.381 10 0 CEAERO [NH3+][C@@H](c1ncc(I)s1)C1CC1 ZINC000085351985 179029472 /nfs/dbraw/zinc/02/94/72/179029472.db2.gz PDLVNMJIQDANJC-ZCFIWIBFSA-N 1 0 280.134 2.158 10 0 CEAERO Ic1cnc(C2CC[NH2+]CC2)s1 ZINC000085352047 179029889 /nfs/dbraw/zinc/02/98/89/179029889.db2.gz MBRNABPGJUWEGK-UHFFFAOYSA-N 1 0 294.161 2.215 10 0 CEAERO COc1cccc(CN(C)C(=O)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000085366450 179037111 /nfs/dbraw/zinc/03/71/11/179037111.db2.gz UKBITTLWISRQCT-HUUCEWRRSA-N 1 0 276.380 2.171 10 0 CEAERO COCCN(Cc1ccccc1)C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085366515 179037183 /nfs/dbraw/zinc/03/71/83/179037183.db2.gz FSKCXLOWUAEFLY-CVEARBPZSA-N 1 0 290.407 2.179 10 0 CEAERO Cc1cc(C)cc(OCCN(C)C(=O)[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000085367347 179037711 /nfs/dbraw/zinc/03/77/11/179037711.db2.gz HWYHTKMHINXGRQ-CVEARBPZSA-N 1 0 290.407 2.268 10 0 CEAERO Cc1nc(C)c([C@H](C)NC(=O)[C@@H]2CCC[C@@H]2[NH3+])s1 ZINC000085370583 179040683 /nfs/dbraw/zinc/04/06/83/179040683.db2.gz NURXFOFYPGEWQV-GDPRMGEGSA-N 1 0 267.398 2.065 10 0 CEAERO Cc1ccc(OC[C@H](C)NC(=O)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000085370567 179040727 /nfs/dbraw/zinc/04/07/27/179040727.db2.gz CVJVBMQFVYGJHO-BPUTZDHNSA-N 1 0 290.407 2.396 10 0 CEAERO COC(=O)c1c(C)c(C)sc1NC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085371676 179041591 /nfs/dbraw/zinc/04/15/91/179041591.db2.gz OEBDXUSMADPGBJ-UWVGGRQHSA-N 1 0 296.392 2.217 10 0 CEAERO COc1ccc([C@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])C2CC2)cc1 ZINC000085371934 179041900 /nfs/dbraw/zinc/04/19/00/179041900.db2.gz PHCOVKZSKXVABQ-OWCLPIDISA-N 1 0 288.391 2.390 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)NCc1cccc(Br)c1 ZINC000085372349 179042339 /nfs/dbraw/zinc/04/23/39/179042339.db2.gz VQDIDIUWGVRZFU-VXGBXAGGSA-N 1 0 297.196 2.193 10 0 CEAERO COc1ccccc1N(C)C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085373415 179042954 /nfs/dbraw/zinc/04/29/54/179042954.db2.gz RIVGEXFVOHUWEG-NEPJUHHUSA-N 1 0 262.353 2.176 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+][C@@H](C)Cn2cccn2)C1(C)C ZINC000085384885 179046633 /nfs/dbraw/zinc/04/66/33/179046633.db2.gz WDJKFDKAIPGWJQ-XQQFMLRXSA-N 1 0 251.374 2.065 10 0 CEAERO C[C@@H](Cc1c(F)cccc1F)NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085365788 179036372 /nfs/dbraw/zinc/03/63/72/179036372.db2.gz QUTPSQFDHVQERX-RBZYPMLTSA-N 1 0 282.334 2.139 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])c1ccccc1F ZINC000085365453 179036392 /nfs/dbraw/zinc/03/63/92/179036392.db2.gz VSMMYXOURNDGIH-XWIASGKRSA-N 1 0 250.317 2.130 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1ccc2nccnc2c1 ZINC000085365626 179036472 /nfs/dbraw/zinc/03/64/72/179036472.db2.gz STZIUYLHCMHCOA-VXGBXAGGSA-N 1 0 270.336 2.086 10 0 CEAERO CC(C)CO[C@H]1C[C@H]([NH2+][C@@H](C)CN2CCOCC2)C1(C)C ZINC000085400353 179051719 /nfs/dbraw/zinc/05/17/19/179051719.db2.gz RIZKAHFJFNRXFG-JYJNAYRXSA-N 1 0 298.471 2.136 10 0 CEAERO CCC[NH2+][C@H](Cc1cc(F)ccc1C)[C@H]1CN(C)CCO1 ZINC000097853790 185673302 /nfs/dbraw/zinc/67/33/02/185673302.db2.gz GQIMLSJQZNJLJE-IAGOWNOFSA-N 1 0 294.414 2.375 10 0 CEAERO CC[C@H]1CN(Cc2ccc3ncccc3c2)CC[NH2+]1 ZINC000085434564 179061067 /nfs/dbraw/zinc/06/10/67/179061067.db2.gz BTBWQJCPGWLAPR-HNNXBMFYSA-N 1 0 255.365 2.419 10 0 CEAERO CCC(CC)CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247470396 539539380 /nfs/dbraw/zinc/53/93/80/539539380.db2.gz VFJHICNPBDIPIR-OCCSQVGLSA-N 1 0 269.433 2.451 10 0 CEAERO Cc1ccc(-c2ccc(N3CC[C@H]([NH3+])C3)nn2)cc1C ZINC000062202246 362714240 /nfs/dbraw/zinc/71/42/40/362714240.db2.gz RFQVTEGOIKXOND-AWEZNQCLSA-N 1 0 268.364 2.298 10 0 CEAERO CCC[C@H]1CNC(C)(C)C[N@@H+]1CCCn1ccnc1 ZINC000085469466 179074736 /nfs/dbraw/zinc/07/47/36/179074736.db2.gz CAOGXIIRLPXRJC-AWEZNQCLSA-N 1 0 264.417 2.126 10 0 CEAERO CC[C@H](C)[C@@H]1C[N@@H+]([C@@H]2CCC[C@H](OC)C2)CCN1 ZINC000085449988 179064970 /nfs/dbraw/zinc/06/49/70/179064970.db2.gz SXXRLCHUUXBVGE-XGUBFFRZSA-N 1 0 254.418 2.264 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C(C)C)CN1C[C@@H]1CCCCO1 ZINC000085450553 179065171 /nfs/dbraw/zinc/06/51/71/179065171.db2.gz JLACBRKFFHTBQK-SOUVJXGZSA-N 1 0 254.418 2.264 10 0 CEAERO CC[C@@H](C)[C@@H]1C[NH2+]CCN1CCOc1ccccc1 ZINC000085452708 179065964 /nfs/dbraw/zinc/06/59/64/179065964.db2.gz RYYYOAMRAWOTPQ-ZBFHGGJFSA-N 1 0 262.397 2.385 10 0 CEAERO COc1ccccc1CN1CC[NH2+]C[C@@]1(C)C1CC1 ZINC000085452545 179066133 /nfs/dbraw/zinc/06/61/33/179066133.db2.gz XJRQNDPGESPQKK-INIZCTEOSA-N 1 0 260.381 2.269 10 0 CEAERO C[C@]1(C2CC2)C[NH2+]CCN1CCc1ccsc1 ZINC000085452534 179066223 /nfs/dbraw/zinc/06/62/23/179066223.db2.gz DWSGLALDLAKZJF-CQSZACIVSA-N 1 0 250.411 2.365 10 0 CEAERO CC[C@H](C)n1ccc(CN2CC[NH2+]C[C@@H]2C2CC2)n1 ZINC000085451406 179066492 /nfs/dbraw/zinc/06/64/92/179066492.db2.gz PNJPNDLQUNAPRH-SWLSCSKDSA-N 1 0 262.401 2.038 10 0 CEAERO CCC[C@H]1C[NH2+][C@H](C)CN1Cc1ccn(C(C)C)n1 ZINC000085453523 179067177 /nfs/dbraw/zinc/06/71/77/179067177.db2.gz NDNXREMTWKZRSQ-HIFRSBDPSA-N 1 0 264.417 2.426 10 0 CEAERO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)[C@H](C2CCCCC2)CN1 ZINC000085454586 179067661 /nfs/dbraw/zinc/06/76/61/179067661.db2.gz LDQXEWKKGUFGRN-KBMXLJTQSA-N 1 0 266.429 2.408 10 0 CEAERO CCC[C@H]1C[NH2+][C@@H](CC)CN1Cc1cnn(CC)c1 ZINC000085472739 179077415 /nfs/dbraw/zinc/07/74/15/179077415.db2.gz UJLZMYXPKHDBDF-GJZGRUSLSA-N 1 0 264.417 2.256 10 0 CEAERO CC[C@H]1CN(CCCOC)[C@H](c2ccccc2)C[NH2+]1 ZINC000085473834 179078081 /nfs/dbraw/zinc/07/80/81/179078081.db2.gz BYPWIOFRTFJNNN-HOTGVXAUSA-N 1 0 262.397 2.448 10 0 CEAERO CC[C@H]1CN(CCOCC(F)(F)F)[C@H](C2CC2)C[NH2+]1 ZINC000085473330 179078106 /nfs/dbraw/zinc/07/81/06/179078106.db2.gz MIVALYHVKCTNJY-RYUDHWBXSA-N 1 0 280.334 2.028 10 0 CEAERO CC[C@@H]1C[NH2+][C@](C)(CC)CN1CCn1ccnc1C ZINC000085494601 179082199 /nfs/dbraw/zinc/08/21/99/179082199.db2.gz QGXFETNARZRIGE-HUUCEWRRSA-N 1 0 264.417 2.044 10 0 CEAERO CC[C@H](C)[C@H]1CN(CCOC)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085494110 179082249 /nfs/dbraw/zinc/08/22/49/179082249.db2.gz JSMWIMGOQVAKJC-NWANDNLSSA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@H](C)[C@@H]1CN(C[C@@H]2CCCO2)[C@@H](CC)C[NH2+]1 ZINC000085490726 179081012 /nfs/dbraw/zinc/08/10/12/179081012.db2.gz IFNNISSICQGERY-AJNGGQMLSA-N 1 0 254.418 2.264 10 0 CEAERO CC1(C)C[NH2+][C@](C)(C2CC2)CN1Cc1ccccn1 ZINC000085514564 179086402 /nfs/dbraw/zinc/08/64/02/179086402.db2.gz PZPOMCOAXZHFBD-INIZCTEOSA-N 1 0 259.397 2.434 10 0 CEAERO Cc1nccn1CCN1C[C@](C)(C2CC2)[NH2+]C[C@@H]1C1CC1 ZINC000085513639 179086616 /nfs/dbraw/zinc/08/66/16/179086616.db2.gz FKMUTVBWLYUBOR-IAGOWNOFSA-N 1 0 288.439 2.044 10 0 CEAERO CCOCC[N@@H+]1C[C@@](C)(C2CC2)NC[C@@]1(C)C1CC1 ZINC000085516079 179087463 /nfs/dbraw/zinc/08/74/63/179087463.db2.gz KVLWIRIZBXELRU-HOTGVXAUSA-N 1 0 266.429 2.266 10 0 CEAERO C[C@@]1(C2CC2)C[N@H+](C[C@@H]2CCCO2)[C@](C)(C2CC2)CN1 ZINC000085516274 179087678 /nfs/dbraw/zinc/08/76/78/179087678.db2.gz WYFWGYVBTOUYAN-ULQDDVLXSA-N 1 0 278.440 2.408 10 0 CEAERO CCC1(CC)CN(CCn2cccn2)[C@H](C2CC2)C[NH2+]1 ZINC000085519228 179087993 /nfs/dbraw/zinc/08/79/93/179087993.db2.gz GOIGCBIRZIKFNO-HNNXBMFYSA-N 1 0 276.428 2.126 10 0 CEAERO CC[C@@H]1CN[C@H](C2CC2)C[N@@H+]1[C@@H]1CCC[C@H](OC)C1 ZINC000085522712 179088325 /nfs/dbraw/zinc/08/83/25/179088325.db2.gz RVMNIRVARGRZGM-WCVJEAGWSA-N 1 0 266.429 2.406 10 0 CEAERO CC[C@@]1(C)CN(CCn2cccn2)[C@@](C)(CC)C[NH2+]1 ZINC000085496705 179082872 /nfs/dbraw/zinc/08/28/72/179082872.db2.gz FESWGHYNYCYLIA-GJZGRUSLSA-N 1 0 264.417 2.126 10 0 CEAERO CC(C)OCCN1CC2(CCCCC2)[NH2+]C[C@@H]1C ZINC000085498809 179083410 /nfs/dbraw/zinc/08/34/10/179083410.db2.gz ZHGJZTWUHYRDKI-AWEZNQCLSA-N 1 0 254.418 2.408 10 0 CEAERO CC[C@@H]1CN[C@H](c2ccccc2)C[N@@H+]1CCn1cccn1 ZINC000085505269 179084397 /nfs/dbraw/zinc/08/43/97/179084397.db2.gz YOZYBOOTOXFNKO-SJORKVTESA-N 1 0 284.407 2.308 10 0 CEAERO CC(C)Cc1nc2c(n1C[C@H]1CCCOC1)CC[NH2+]C2 ZINC000085573054 179097956 /nfs/dbraw/zinc/09/79/56/179097956.db2.gz JDVAAHPSVVJWDK-CYBMUJFWSA-N 1 0 277.412 2.154 10 0 CEAERO COCCC[N@@H+]1C[C@H](C2CC2)NC[C@@H]1c1ccccc1 ZINC000085527129 179089540 /nfs/dbraw/zinc/08/95/40/179089540.db2.gz ZQXBTGISLQGHDN-IAGOWNOFSA-N 1 0 274.408 2.448 10 0 CEAERO c1ccc(CN2C[C@@H](C3CC3)[NH2+]C[C@@H]2C2CC2)nc1 ZINC000085526321 179089614 /nfs/dbraw/zinc/08/96/14/179089614.db2.gz GYSDQWOXQFGFNJ-JKSUJKDBSA-N 1 0 257.381 2.044 10 0 CEAERO Cn1cc(CN2C[C@H](C3CC3)[NH2+]CC23CCCCC3)cn1 ZINC000085529308 179090302 /nfs/dbraw/zinc/09/03/02/179090302.db2.gz RXMCVOXZSVYOKM-MRXNPFEDSA-N 1 0 288.439 2.307 10 0 CEAERO CC[C@]1(C)C[NH2+][C@@H](C2CC2)CN1CC(F)(F)F ZINC000085528577 179090722 /nfs/dbraw/zinc/09/07/22/179090722.db2.gz JXJKUVAMUUCHIO-GHMZBOCLSA-N 1 0 250.308 2.401 10 0 CEAERO C[C@H]([NH3+])c1nc(CN2CCCSCC2)cs1 ZINC000085550233 179093296 /nfs/dbraw/zinc/09/32/96/179093296.db2.gz FNRNKKGRKLGLSA-VIFPVBQESA-N 1 0 257.428 2.102 10 0 CEAERO Cc1ccc(F)c(O[C@@H](C)C[C@@](C)([NH2+]C2CC2)C(N)=O)c1 ZINC000085560176 179093905 /nfs/dbraw/zinc/09/39/05/179093905.db2.gz PPPPDJDDOIOKPW-MEDUHNTESA-N 1 0 294.370 2.288 10 0 CEAERO Cc1nn(C)c(Oc2cc(C)ccc2F)c1CC[NH3+] ZINC000085564750 179094530 /nfs/dbraw/zinc/09/45/30/179094530.db2.gz JNNSJGMVLOJHMD-UHFFFAOYSA-N 1 0 263.316 2.470 10 0 CEAERO Cc1ccc(F)c(OCCCC[C@@](C)([NH3+])CO)c1 ZINC000085565135 179094683 /nfs/dbraw/zinc/09/46/83/179094683.db2.gz IBJSLHRUXXDKFA-CQSZACIVSA-N 1 0 255.333 2.393 10 0 CEAERO FC(F)Oc1ccccc1-n1cnc2c1CC[NH2+]C2 ZINC000085567208 179095719 /nfs/dbraw/zinc/09/57/19/179095719.db2.gz TXKSZCWTXIGQTH-UHFFFAOYSA-N 1 0 265.263 2.119 10 0 CEAERO C[N@@H+]1CCCC[C@@H]1CCN[C@@H](CO)c1ccccc1 ZINC000063002194 362741078 /nfs/dbraw/zinc/74/10/78/362741078.db2.gz MJFONJPBMDTOLK-CVEARBPZSA-N 1 0 262.397 2.184 10 0 CEAERO C[C@@H]([NH2+][C@H](CO)c1ccccc1)C(=O)NC1CCCCC1 ZINC000063002832 362742194 /nfs/dbraw/zinc/74/21/94/362742194.db2.gz LIHOLCFZSLEKRD-CZUORRHYSA-N 1 0 290.407 2.147 10 0 CEAERO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](CO)c1ccccc1 ZINC000063002808 362742233 /nfs/dbraw/zinc/74/22/33/362742233.db2.gz KJMXEYSUDSINHV-YDHLFZDLSA-N 1 0 278.396 2.003 10 0 CEAERO COC[C@@H](C)Cn1c(CC(C)C)nc2c1CC[NH2+]C2 ZINC000085573257 179098118 /nfs/dbraw/zinc/09/81/18/179098118.db2.gz ZDODLPFWMWIDTB-LBPRGKRZSA-N 1 0 265.401 2.010 10 0 CEAERO c1cc(N2CCCC2)ncc1N[C@@H]1CCC[NH2+]CC1 ZINC000129004084 365818159 /nfs/dbraw/zinc/81/81/59/365818159.db2.gz UGGRQMYYEJJGTM-CYBMUJFWSA-N 1 0 260.385 2.236 10 0 CEAERO CC[C@H]1CN(Cc2ccn(C(C)C)n2)CCC[NH2+]1 ZINC000085614675 179104448 /nfs/dbraw/zinc/10/44/48/179104448.db2.gz BWEHKFBQVSPLPY-ZDUSSCGKSA-N 1 0 250.390 2.038 10 0 CEAERO [NH3+][C@H](c1cncnc1)c1cc(F)cc(Br)c1 ZINC000085633698 179108744 /nfs/dbraw/zinc/10/87/44/179108744.db2.gz UNUQZOKJQNWNDX-NSHDSACASA-N 1 0 282.116 2.426 10 0 CEAERO Cc1cc([C@H]2NC(=O)CC[C@@H]2[NH3+])ccc1Br ZINC000085708902 179122777 /nfs/dbraw/zinc/12/27/77/179122777.db2.gz ICTYAQOOMIQBGV-CMPLNLGQSA-N 1 0 283.169 2.036 10 0 CEAERO CN1CCN(CC2(C[NH3+])CCCC2)c2ccccc21 ZINC000104281598 136554163 /nfs/dbraw/zinc/55/41/63/136554163.db2.gz VAWATIHTLDKAIG-UHFFFAOYSA-N 1 0 259.397 2.462 10 0 CEAERO [NH3+]C[C@H]([C@@H]1CCCOC1)N1CCCc2ccccc21 ZINC000111320578 136561323 /nfs/dbraw/zinc/56/13/23/136561323.db2.gz NVTAQQCJVBVYER-GDBMZVCRSA-N 1 0 260.381 2.193 10 0 CEAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(Br)c(C)n1 ZINC000085729077 179131863 /nfs/dbraw/zinc/13/18/63/179131863.db2.gz AQFCRDDFZSIOOS-UHFFFAOYSA-N 1 0 286.173 2.089 10 0 CEAERO C[C@H]1CCc2ccccc2N1C(=O)[C@H]1CCC[NH2+]C1 ZINC000019410711 136577488 /nfs/dbraw/zinc/57/74/88/136577488.db2.gz UIYDFPCTFCJMAD-JSGCOSHPSA-N 1 0 258.365 2.354 10 0 CEAERO COc1ccc(F)cc1C[NH2+][C@H]1CCCC[C@H]1CO ZINC000336818298 365863175 /nfs/dbraw/zinc/86/31/75/365863175.db2.gz UXQPPOMCALXJGZ-FZMZJTMJSA-N 1 0 267.344 2.475 10 0 CEAERO CCOC(=O)c1ncc(CN2C[C@@H]3CCC[C@@H]32)s1 ZINC000602793340 347201177 /nfs/dbraw/zinc/20/11/77/347201177.db2.gz QJJXAESBOZMPPR-ONGXEEELSA-N 1 0 266.366 2.304 10 0 CEAERO [NH3+][C@]1(C(=O)Nc2cc(Cl)cc(Cl)c2)CCOC1 ZINC000085867702 179192036 /nfs/dbraw/zinc/19/20/36/179192036.db2.gz ZZXYSNDZNVWTOR-LLVKDONJSA-N 1 0 275.135 2.050 10 0 CEAERO C[C@H]([NH3+])[C@H]1CCCN(c2ncnc3sccc32)C1 ZINC000070175153 136708695 /nfs/dbraw/zinc/70/86/95/136708695.db2.gz AAGMWYLBNBNIKK-UWVGGRQHSA-N 1 0 262.382 2.255 10 0 CEAERO C[C@H](C[NH3+])[C@@]1(O)CCc2cc(Br)ccc2C1 ZINC000085902291 179195895 /nfs/dbraw/zinc/19/58/95/179195895.db2.gz BBHWGVIAXKLORN-NOZJJQNGSA-N 1 0 284.197 2.264 10 0 CEAERO COc1ccc(Br)cc1[C@H](O)C(C)(C)C[NH3+] ZINC000085902373 179196328 /nfs/dbraw/zinc/19/63/28/179196328.db2.gz YJMAIHBYPBJXPE-NSHDSACASA-N 1 0 288.185 2.476 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1CNC(=O)C1(c2ccccc2)CC1 ZINC000085966928 179205895 /nfs/dbraw/zinc/20/58/95/179205895.db2.gz HNIZOMOKIDBKQG-HIFRSBDPSA-N 1 0 272.392 2.352 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1CNC(=O)Cc1ccc(F)cc1 ZINC000085966578 179206141 /nfs/dbraw/zinc/20/61/41/179206141.db2.gz IZRXHYGCXTUQOX-OCCSQVGLSA-N 1 0 264.344 2.002 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1CNC(=O)c1cccc2cccnc21 ZINC000085966495 179206233 /nfs/dbraw/zinc/20/62/33/179206233.db2.gz DPCAHCJZJBYFTB-UKRRQHHQSA-N 1 0 283.375 2.482 10 0 CEAERO C[C@H]([NH3+])[C@@H](CO)Oc1ccccc1-c1ccccc1 ZINC000085919291 179199837 /nfs/dbraw/zinc/19/98/37/179199837.db2.gz UORAZIPYYXZDBF-BLLLJJGKSA-N 1 0 257.333 2.441 10 0 CEAERO C[C@H]([NH3+])[C@H](CO)Oc1ccc(Cc2ccccc2)cc1 ZINC000085919634 179199975 /nfs/dbraw/zinc/19/99/75/179199975.db2.gz MFKVXYQAGUWOSK-GUYCJALGSA-N 1 0 271.360 2.364 10 0 CEAERO CCC[NH2+][C@H](CCO)COc1cc(C)cc(C)c1 ZINC000085924618 179201025 /nfs/dbraw/zinc/20/10/25/179201025.db2.gz NZRVTAVCKKCLIB-CQSZACIVSA-N 1 0 251.370 2.433 10 0 CEAERO CCC[NH2+][C@H](CCO)CN(C)[C@@H]1CCCC[C@@H]1C ZINC000085922398 179201167 /nfs/dbraw/zinc/20/11/67/179201167.db2.gz LWZLTJFVOZVRPZ-RRFJBIMHSA-N 1 0 256.434 2.248 10 0 CEAERO C[NH2+][C@H](CCO)CN1CCC2(CCCCC2)CC1 ZINC000085922767 179201194 /nfs/dbraw/zinc/20/11/94/179201194.db2.gz PGPWAUPTPRRRBJ-CQSZACIVSA-N 1 0 254.418 2.003 10 0 CEAERO O=c1[nH]c([NH2+]C[C@H]2CCCC[C@@H]2O)cc2ccccc21 ZINC000086015667 179216096 /nfs/dbraw/zinc/21/60/96/179216096.db2.gz YPMNCTANISMZLW-OCCSQVGLSA-N 1 0 272.348 2.491 10 0 CEAERO COc1c(C)cnc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)c1C ZINC000085984801 179211791 /nfs/dbraw/zinc/21/17/91/179211791.db2.gz MGSWCAXSLILWSN-ZFWWWQNUSA-N 1 0 278.396 2.348 10 0 CEAERO C[NH2+][C@H](c1ccc2c(c1)CCCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000086020327 179217867 /nfs/dbraw/zinc/21/78/67/179217867.db2.gz SYLYDXMIMIFCAT-HZPDHXFCSA-N 1 0 293.432 2.261 10 0 CEAERO C[C@H]1[C@H]([NH2+]Cc2ccc(OCC(N)=O)cc2)CC[C@@H]1C ZINC000086070444 179224324 /nfs/dbraw/zinc/22/43/24/179224324.db2.gz LGPWKFBAVDJDTI-YWPYICTPSA-N 1 0 276.380 2.075 10 0 CEAERO C[C@@H]1[C@@H](C)CC[C@@H]1NC(=O)CCC1CC[NH2+]CC1 ZINC000086076019 179225591 /nfs/dbraw/zinc/22/55/91/179225591.db2.gz YYMNRCHPDORAGP-SCRDCRAPSA-N 1 0 252.402 2.317 10 0 CEAERO C[C@@H]1[C@@H](C)CC[C@@H]1[NH2+]Cc1cc(C(N)=O)ccc1F ZINC000086077835 179226012 /nfs/dbraw/zinc/22/60/12/179226012.db2.gz YVVWKCNDEIPMMI-RBZYPMLTSA-N 1 0 264.344 2.449 10 0 CEAERO CC[NH2+][C@@H](c1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 ZINC000086021236 179218417 /nfs/dbraw/zinc/21/84/17/179218417.db2.gz FNTQKKQOKGQCGX-GZMMTYOYSA-N 1 0 293.841 2.487 10 0 CEAERO [NH3+][C@@H](c1ccc(F)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000086022851 179218630 /nfs/dbraw/zinc/21/86/30/179218630.db2.gz VAZQCLJEDNYBQB-MEBBXXQBSA-N 1 0 293.363 2.413 10 0 CEAERO [NH3+][C@H](c1ccc(F)c2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000086022863 179218719 /nfs/dbraw/zinc/21/87/19/179218719.db2.gz VAZQCLJEDNYBQB-BONVTDFDSA-N 1 0 293.363 2.413 10 0 CEAERO CCC[NH2+][C@H](Cc1ccsc1)[C@H]1CCS(=O)(=O)C1 ZINC000086025590 179219171 /nfs/dbraw/zinc/21/91/71/179219171.db2.gz RNVDEBLJKFSZMK-QWHCGFSZSA-N 1 0 287.450 2.094 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccsc1)[C@H]1CCS(=O)(=O)C1 ZINC000086025585 179219297 /nfs/dbraw/zinc/21/92/97/179219297.db2.gz RNVDEBLJKFSZMK-STQMWFEESA-N 1 0 287.450 2.094 10 0 CEAERO CCC[NH2+][C@@H](Cc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000086026634 179220284 /nfs/dbraw/zinc/22/02/84/179220284.db2.gz KECJMXAIBKVOFK-CVEARBPZSA-N 1 0 295.448 2.340 10 0 CEAERO CCC(CC)N1C(=O)C[C@H]([NH2+]C(C)(C)CC)C1=O ZINC000102669868 185785373 /nfs/dbraw/zinc/78/53/73/185785373.db2.gz XOTPDLGUGMCLDL-NSHDSACASA-N 1 0 254.374 2.081 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CC[C@@H]1S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000086041441 179222229 /nfs/dbraw/zinc/22/22/29/179222229.db2.gz PUENWPHRGHUBNJ-HFKOZYHYSA-N 1 0 291.775 2.379 10 0 CEAERO C[C@H]1[C@@H]([NH3+])CC[C@@H]1S(=O)(=O)c1ccccc1Cl ZINC000086040380 179222257 /nfs/dbraw/zinc/22/22/57/179222257.db2.gz KSZDKFNWVPNSMS-LSJOCFKGSA-N 1 0 273.785 2.240 10 0 CEAERO CC[C@@H]1CC[C@H](n2nnnc2C[NH2+]CC(C)C)[C@@H]1C ZINC000086107390 179230901 /nfs/dbraw/zinc/23/09/01/179230901.db2.gz OOCUTOPODKRZII-UPJWGTAASA-N 1 0 265.405 2.416 10 0 CEAERO Cc1nc(CN2CC[NH2+][C@@H](CC(C)C)C2)cs1 ZINC000086144276 179237437 /nfs/dbraw/zinc/23/74/37/179237437.db2.gz RQPWWOVQFUCAQH-LBPRGKRZSA-N 1 0 253.415 2.271 10 0 CEAERO C[NH+](C)C[C@H]1CCN(CCC(=O)OCc2ccccc2)C1 ZINC000128497141 187374223 /nfs/dbraw/zinc/37/42/23/187374223.db2.gz PZRIMJMREYLXJR-MRXNPFEDSA-N 1 0 290.407 2.003 10 0 CEAERO Cc1nccc(CN2CC[NH2+][C@](C)(c3ccccc3)C2)n1 ZINC000086146277 179238328 /nfs/dbraw/zinc/23/83/28/179238328.db2.gz AKIFWRBMVQPKTL-KRWDZBQOSA-N 1 0 282.391 2.106 10 0 CEAERO CC[C@H]1CC[C@@H](NC(=O)C2(C)CC[NH2+]CC2)[C@@H]1C ZINC000086094205 179228962 /nfs/dbraw/zinc/22/89/62/179228962.db2.gz UJQVKGYBLHWOHX-FRRDWIJNSA-N 1 0 252.402 2.317 10 0 CEAERO CC[C@H]1CC[C@@H]([NH2+]Cc2cnc(N(C)C)n2C)[C@@H]1C ZINC000086091906 179229150 /nfs/dbraw/zinc/22/91/50/179229150.db2.gz VEOUUEDAOYHTHJ-MBNYWOFBSA-N 1 0 264.417 2.400 10 0 CEAERO Cn1cc([C@@H]2CC[N@H+](Cc3c[nH]nc3C(C)(C)C)C2)cn1 ZINC000128495196 187374693 /nfs/dbraw/zinc/37/46/93/187374693.db2.gz GWAAOISDRMWDIX-GFCCVEGCSA-N 1 0 287.411 2.430 10 0 CEAERO CC[C@H]1CC[C@@H](NC(=O)C[C@@H]2CCCC[NH2+]2)[C@@H]1C ZINC000086098757 179229613 /nfs/dbraw/zinc/22/96/13/179229613.db2.gz VGMJBLPHXRCGBI-ZOBORPQBSA-N 1 0 252.402 2.460 10 0 CEAERO COc1ccc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)cc1 ZINC000128507898 187375494 /nfs/dbraw/zinc/37/54/94/187375494.db2.gz ZTYJLZYTJSTNJG-CQSZACIVSA-N 1 0 271.364 2.418 10 0 CEAERO CC(C)C[C@H]1CN([C@@H]2COc3ccccc32)CC[NH2+]1 ZINC000086150111 179240666 /nfs/dbraw/zinc/24/06/66/179240666.db2.gz WBUHVVBFJTZETG-DZGCQCFKSA-N 1 0 260.381 2.440 10 0 CEAERO CC(C)[C@H]1C[N@H+](C2CCOCC2)[C@@H](C(C)C)CN1 ZINC000086154457 179241390 /nfs/dbraw/zinc/24/13/90/179241390.db2.gz PUHHMPPOLANDGF-HUUCEWRRSA-N 1 0 254.418 2.120 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@H](C)CN1c1cnn(C(C)C)c1 ZINC000086175118 179245676 /nfs/dbraw/zinc/24/56/76/179245676.db2.gz ARGHRVZHSIIEJX-OCCSQVGLSA-N 1 0 250.390 2.287 10 0 CEAERO Fc1cc(F)cc(CCN2CC[NH2+][C@H](C3CC3)C2)c1 ZINC000086147695 179239523 /nfs/dbraw/zinc/23/95/23/179239523.db2.gz CJPPUPFTVDVLQR-HNNXBMFYSA-N 1 0 266.335 2.191 10 0 CEAERO CC[C@H]1CN(CCc2ccncc2)[C@H](C(C)C)C[NH2+]1 ZINC000086223347 179251525 /nfs/dbraw/zinc/25/15/25/179251525.db2.gz TVMLOROCFYXRLP-HOTGVXAUSA-N 1 0 261.413 2.333 10 0 CEAERO C[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1CCc1cccnc1 ZINC000086223257 179252276 /nfs/dbraw/zinc/25/22/76/179252276.db2.gz QAAJXAFHGVEIPL-DZGCQCFKSA-N 1 0 261.413 2.333 10 0 CEAERO CC(C)[C@H]1C[NH2+][C@@H](C2CC2)CN1Cc1nccs1 ZINC000086226835 179252867 /nfs/dbraw/zinc/25/28/67/179252867.db2.gz XJDYMHGCMDQCOY-CHWSQXEVSA-N 1 0 265.426 2.352 10 0 CEAERO COCCn1cc(N2CC3(CCCCC3)[NH2+]C[C@@H]2C)cn1 ZINC000086227229 179254435 /nfs/dbraw/zinc/25/44/35/179254435.db2.gz TYOXPHCRMZSWGC-AWEZNQCLSA-N 1 0 292.427 2.031 10 0 CEAERO CCOC[C@H](C)[N@@H+]1CC2(CCCC2)NC[C@@H]1CC ZINC000086259738 179259015 /nfs/dbraw/zinc/25/90/15/179259015.db2.gz IRCITXLPZHDIGU-KBPBESRZSA-N 1 0 254.418 2.408 10 0 CEAERO Cc1cc(CN2C[C@H](CC(C)C)[NH2+]C[C@@H]2C)no1 ZINC000086259825 179259060 /nfs/dbraw/zinc/25/90/60/179259060.db2.gz JYXDLTVLODSRAS-AAEUAGOBSA-N 1 0 251.374 2.191 10 0 CEAERO CC[C@H]1C[NH2+][C@@](C)(CC)CN1Cc1cnc(C)cn1 ZINC000086263086 179259800 /nfs/dbraw/zinc/25/98/00/179259800.db2.gz XYFFRXSIKVPFIB-GJZGRUSLSA-N 1 0 262.401 2.138 10 0 CEAERO C[C@@H]1C[NH2+][C@H](C2CC2)CN1C[C@@H]1Cc2ccccc2O1 ZINC000086261707 179260115 /nfs/dbraw/zinc/26/01/15/179260115.db2.gz XEGNWGUZDQMXGL-KCXAZCMYSA-N 1 0 272.392 2.062 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](CC(C)C)CN1Cc1cnc(C)cn1 ZINC000086263115 179260581 /nfs/dbraw/zinc/26/05/81/179260581.db2.gz UEYYDZMTZSHXRA-GDBMZVCRSA-N 1 0 276.428 2.384 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](c2ccccc2)CN1Cc1nccn1C ZINC000086264841 179261201 /nfs/dbraw/zinc/26/12/01/179261201.db2.gz DKCDAJMDKZQBFE-CVEARBPZSA-N 1 0 284.407 2.345 10 0 CEAERO COc1ccc(CN2C[C@H](C3CC3)[NH2+]C[C@@H]2C(C)C)cn1 ZINC000086263906 179261440 /nfs/dbraw/zinc/26/14/40/179261440.db2.gz GGPQECWYCFPUAX-HZPDHXFCSA-N 1 0 289.423 2.299 10 0 CEAERO CCC1(CC)C[N@H+](CC[C@@H]2CCCO2)CCCN1 ZINC000086291425 179265118 /nfs/dbraw/zinc/26/51/18/179265118.db2.gz GLOIUSDYWDABTI-AWEZNQCLSA-N 1 0 254.418 2.410 10 0 CEAERO CC[C@@H]1CN[C@@](C)(C2CC2)C[N@@H+]1[C@@H](C)CCOC ZINC000086268065 179261629 /nfs/dbraw/zinc/26/16/29/179261629.db2.gz OUDFZEIVKIMHNZ-NWANDNLSSA-N 1 0 254.418 2.264 10 0 CEAERO CC(C)[C@H]1C[NH2+][C@@H](C2CC2)CN1Cc1cscn1 ZINC000086265440 179261807 /nfs/dbraw/zinc/26/18/07/179261807.db2.gz JGLLWTHKNOIQKM-ZIAGYGMSSA-N 1 0 265.426 2.352 10 0 CEAERO C[C@H]1C[NH2+][C@H](C2CC2)CN1CCOC1CCCCC1 ZINC000086265792 179261835 /nfs/dbraw/zinc/26/18/35/179261835.db2.gz SXIBJDAVOJBWKK-BBRMVZONSA-N 1 0 266.429 2.408 10 0 CEAERO COCC[C@H](C)[N@@H+]1C[C@@H](C2CC2)NC[C@@H]1C(C)C ZINC000086268090 179261933 /nfs/dbraw/zinc/26/19/33/179261933.db2.gz BNGWYSMZRIQHKU-AEGPPILISA-N 1 0 254.418 2.120 10 0 CEAERO C[C@@H]1C[NH2+][C@H](C2CC2)CN1CCOC1CCCCC1 ZINC000086265791 179262270 /nfs/dbraw/zinc/26/22/70/179262270.db2.gz SXIBJDAVOJBWKK-CJNGLKHVSA-N 1 0 266.429 2.408 10 0 CEAERO CC[C@H]1CN[C@@H](C(C)(C)C)C[N@@H+]1[C@@H]1CCCOC1 ZINC000086265168 179262276 /nfs/dbraw/zinc/26/22/76/179262276.db2.gz GFQWSDZFOZTCHQ-BFHYXJOUSA-N 1 0 254.418 2.264 10 0 CEAERO C[C@@H]1CN[C@@](C)(c2ccccc2)C[N@@H+]1[C@@H]1CCCOC1 ZINC000086265219 179262379 /nfs/dbraw/zinc/26/23/79/179262379.db2.gz JLLFEPIUGLKBMW-DJIMGWMZSA-N 1 0 274.408 2.375 10 0 CEAERO C[C@@H]([NH3+])[C@H]1CCCN(c2nc(Br)cs2)C1 ZINC000086290918 179265142 /nfs/dbraw/zinc/26/51/42/179265142.db2.gz BHMACTZTMJWPSA-SFYZADRCSA-N 1 0 290.230 2.469 10 0 CEAERO CCOCCC[N@@H+]1CCCN[C@H](c2ccccc2)C1 ZINC000086286260 179264600 /nfs/dbraw/zinc/26/46/00/179264600.db2.gz UFKLLSSXXLAPMN-INIZCTEOSA-N 1 0 262.397 2.450 10 0 CEAERO CC[C@H](C)[C@@H]1CN(CCc2ccccn2)CCC[NH2+]1 ZINC000086288173 179264953 /nfs/dbraw/zinc/26/49/53/179264953.db2.gz VZYSIVFLYFNYAO-HOCLYGCPSA-N 1 0 261.413 2.334 10 0 CEAERO CC1(C)C[NH2+]CCN1c1nc(Br)cs1 ZINC000086290993 179265328 /nfs/dbraw/zinc/26/53/28/179265328.db2.gz ZRBTWJRFJJWCDA-UHFFFAOYSA-N 1 0 276.203 2.094 10 0 CEAERO C[C@@H]1[NH2+]CC[C@@H]1c1nc2cc(Br)cnc2[nH]1 ZINC000086256081 179256408 /nfs/dbraw/zinc/25/64/08/179256408.db2.gz SGTGQRPKHOOLGR-XPUUQOCRSA-N 1 0 281.157 2.186 10 0 CEAERO COC[C@@H](C)C[N@@H+]1CCCN[C@H](c2ccccc2)C1 ZINC000086293235 179266089 /nfs/dbraw/zinc/26/60/89/179266089.db2.gz XXVFEDHKGLFNLB-HOCLYGCPSA-N 1 0 262.397 2.306 10 0 CEAERO CC(C)([NH3+])COc1nc(Br)cs1 ZINC000086291730 179266997 /nfs/dbraw/zinc/26/69/97/179266997.db2.gz ACXVNRGJPJFEPG-UHFFFAOYSA-N 1 0 251.149 2.022 10 0 CEAERO CC[C@H]1CN(c2nc3c(s2)CCC[C@@H]3[NH3+])CCO1 ZINC000086442757 179294023 /nfs/dbraw/zinc/29/40/23/179294023.db2.gz ASVJDVFURYCQEG-UWVGGRQHSA-N 1 0 267.398 2.094 10 0 CEAERO CCN(C[C@H]1CCCO1)c1nc2c(s1)CCC[C@@H]2[NH3+] ZINC000086443307 179294067 /nfs/dbraw/zinc/29/40/67/179294067.db2.gz ZHIGJGOFIVHBLU-MNOVXSKESA-N 1 0 281.425 2.485 10 0 CEAERO CCOC1CCN(c2nc3c(s2)CCC[C@@H]3[NH3+])CC1 ZINC000086443112 179294205 /nfs/dbraw/zinc/29/42/05/179294205.db2.gz JNLPQOREJLBVIX-NSHDSACASA-N 1 0 281.425 2.485 10 0 CEAERO CC[C@@H]1CN(Cc2ccc3c(c2)OCCO3)[C@@H](CC)C[NH2+]1 ZINC000086445467 179294784 /nfs/dbraw/zinc/29/47/84/179294784.db2.gz FHFVRDVXMNRQEH-CABCVRRESA-N 1 0 290.407 2.420 10 0 CEAERO CC[C@@H]1CN(C(=O)c2ccc(Cl)cn2)[C@H](CC)C[NH2+]1 ZINC000086446644 179294886 /nfs/dbraw/zinc/29/48/86/179294886.db2.gz MFCBFOYJUCFBGY-VXGBXAGGSA-N 1 0 281.787 2.338 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)Cc1ccc(F)cc1 ZINC000086446310 179294908 /nfs/dbraw/zinc/29/49/08/179294908.db2.gz BBOBTGVMMXXEST-LSDHHAIUSA-N 1 0 278.371 2.357 10 0 CEAERO CN(c1nc2c(s1)CCC[C@@H]2O)[C@@H]1CCC[N@H+](C)C1 ZINC000086444516 179294959 /nfs/dbraw/zinc/29/49/59/179294959.db2.gz YPPAHIKZSHAKNX-MNOVXSKESA-N 1 0 281.425 2.043 10 0 CEAERO CC[C@@H]1CN(C(=O)c2ccc(OC)c(F)c2)[C@H](CC)C[NH2+]1 ZINC000086446598 179295102 /nfs/dbraw/zinc/29/51/02/179295102.db2.gz RUOQSBMSGDOGKL-CHWSQXEVSA-N 1 0 294.370 2.437 10 0 CEAERO CC[C@H]1CN(C(=O)c2cccn2C2CC2)[C@@H](CC)C[NH2+]1 ZINC000086448009 179295503 /nfs/dbraw/zinc/29/55/03/179295503.db2.gz OYIONLMISIKOSZ-STQMWFEESA-N 1 0 275.396 2.426 10 0 CEAERO CCC[NH2+][C@@H]1CCCc2sc(-c3nc[nH]n3)nc21 ZINC000086439985 179293141 /nfs/dbraw/zinc/29/31/41/179293141.db2.gz MHQWEMPFCOKVAQ-MRVPVSSYSA-N 1 0 263.370 2.305 10 0 CEAERO NC1=[NH+]C[C@@H](C2CC2)N1c1cccc(Br)c1 ZINC000086474564 179300276 /nfs/dbraw/zinc/30/02/76/179300276.db2.gz HKYVYYYWKJXXRR-NSHDSACASA-N 1 0 280.169 2.362 10 0 CEAERO C[NH2+][C@H](Cc1cccnc1N)[C@H]1Cc2ccccc21 ZINC000086488632 179301681 /nfs/dbraw/zinc/30/16/81/179301681.db2.gz FPWWZOKXLFEAKB-LSDHHAIUSA-N 1 0 253.349 2.134 10 0 CEAERO CCC[C@@H]([NH3+])Cc1nc([C@H]2Cc3ccccc32)no1 ZINC000086492008 179302536 /nfs/dbraw/zinc/30/25/36/179302536.db2.gz DOMLQMYFJVIZJY-YPMHNXCESA-N 1 0 257.337 2.428 10 0 CEAERO CC[C@H]([NH3+])Cc1cc2c(cc1SC)OCCO2 ZINC000086506953 179303546 /nfs/dbraw/zinc/30/35/46/179303546.db2.gz AUNDWYDRHIKJOI-JTQLQIEISA-N 1 0 253.367 2.460 10 0 CEAERO CC[C@@H]1CN(CC(=O)N(C)c2ccccc2)[C@@H](CC)C[NH2+]1 ZINC000086463677 179296209 /nfs/dbraw/zinc/29/62/09/179296209.db2.gz JQBFQTABKJGLEB-CABCVRRESA-N 1 0 289.423 2.112 10 0 CEAERO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCC3(CCC3)CC2)C1 ZINC000308702807 539577730 /nfs/dbraw/zinc/57/77/30/539577730.db2.gz UZEVGQFLYUPUHJ-QWHCGFSZSA-N 1 0 250.386 2.297 10 0 CEAERO CCOC(=O)c1ccoc1CN1C[C@@H](CC)[NH2+]C[C@@H]1CC ZINC000086464009 179296506 /nfs/dbraw/zinc/29/65/06/179296506.db2.gz NEJQMYHBPSTWBE-OLZOCXBDSA-N 1 0 294.395 2.419 10 0 CEAERO CC[C@@H]1CN(Cc2ccoc2C(=O)OC)[C@@H](CC)C[NH2+]1 ZINC000086464434 179297130 /nfs/dbraw/zinc/29/71/30/179297130.db2.gz CHRCNKGEOPHROC-OLZOCXBDSA-N 1 0 280.368 2.029 10 0 CEAERO CC(C)Oc1cccc(C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)c1 ZINC000086467422 179297659 /nfs/dbraw/zinc/29/76/59/179297659.db2.gz TWZJVUPBZGDGBF-CHWSQXEVSA-N 1 0 276.380 2.296 10 0 CEAERO C[C@@H]1CN(Cc2cc(Cl)cc3c2OCOC3)[C@@H](C)C[NH2+]1 ZINC000086469293 179299738 /nfs/dbraw/zinc/29/97/38/179299738.db2.gz BURNGEXOQZYGBH-MNOVXSKESA-N 1 0 296.798 2.389 10 0 CEAERO Cc1cc(-c2nnc(CN3C[C@@H](C)[NH2+]C[C@@H]3C)o2)c(C)o1 ZINC000086469577 179299781 /nfs/dbraw/zinc/29/97/81/179299781.db2.gz ZCVNYUBIGVHNPG-ZJUUUORDSA-N 1 0 290.367 2.129 10 0 CEAERO Nc1ccc(Br)cc1S[C@H]1CC[NH2+]C1 ZINC000086479017 179300221 /nfs/dbraw/zinc/30/02/21/179300221.db2.gz DTRHRFCILIHVFY-QMMMGPOBSA-N 1 0 273.199 2.485 10 0 CEAERO C[C@@](O)(C[NH3+])Cc1nc2ccc(Cl)cc2s1 ZINC000086480013 179300258 /nfs/dbraw/zinc/30/02/58/179300258.db2.gz JFYCBHKIYSOPCD-NSHDSACASA-N 1 0 256.758 2.202 10 0 CEAERO [NH3+][C@H](Cc1csc2ccccc12)[C@@H]1CCS(=O)(=O)C1 ZINC000086566390 179307638 /nfs/dbraw/zinc/30/76/38/179307638.db2.gz DQKRIHZQJLDGMW-ZWNOBZJWSA-N 1 0 295.429 2.206 10 0 CEAERO COc1ccc([C@H]([NH2+]CC(C)C)C(N)=O)cc1Cl ZINC000086595390 179311198 /nfs/dbraw/zinc/31/11/98/179311198.db2.gz NSYKOBRFLABUIA-LBPRGKRZSA-N 1 0 270.760 2.121 10 0 CEAERO CCCCC1CCC([NH3+])(CCS(C)(=O)=O)CC1 ZINC000086566055 179307742 /nfs/dbraw/zinc/30/77/42/179307742.db2.gz WBPCZNQRMIGTJD-UHFFFAOYSA-N 1 0 261.431 2.499 10 0 CEAERO C[NH2+]CC[C@@](C)(O)c1cscc1Br ZINC000086558376 179307855 /nfs/dbraw/zinc/30/78/55/179307855.db2.gz YEQFOSGPIYSFJK-SECBINFHSA-N 1 0 264.188 2.328 10 0 CEAERO CO[C@H](C)[C@H]([NH3+])Cc1ccc(Br)cc1 ZINC000086576439 179308718 /nfs/dbraw/zinc/30/87/18/179308718.db2.gz LFNXLTGVPPMNKO-LDYMZIIASA-N 1 0 258.159 2.354 10 0 CEAERO CO[C@@H](C)[C@H]([NH3+])Cc1ccc(Br)cc1F ZINC000086575741 179308725 /nfs/dbraw/zinc/30/87/25/179308725.db2.gz FHVNSSGFSMROOC-WRWORJQWSA-N 1 0 276.149 2.493 10 0 CEAERO CO[C@@H](C)[C@H]([NH3+])Cc1ccccc1Br ZINC000086576313 179308827 /nfs/dbraw/zinc/30/88/27/179308827.db2.gz QKWPLPVCOCJLCD-GZMMTYOYSA-N 1 0 258.159 2.354 10 0 CEAERO CC[C@@H](C)[NH2+][C@@H](C(N)=O)c1ccc(OC)c(Cl)c1 ZINC000086595455 179311068 /nfs/dbraw/zinc/31/10/68/179311068.db2.gz NGFNCWVUZCLBDJ-PRHODGIISA-N 1 0 270.760 2.263 10 0 CEAERO COCCN([C@@H](C[NH3+])c1ccc(OC)c(Cl)c1)C1CC1 ZINC000086594974 179311078 /nfs/dbraw/zinc/31/10/78/179311078.db2.gz APVDIGVEOHSURR-AWEZNQCLSA-N 1 0 298.814 2.459 10 0 CEAERO CC(C)(C[NH2+]C1CC1)Cn1cc(Br)cn1 ZINC000086595953 179310787 /nfs/dbraw/zinc/31/07/87/179310787.db2.gz STMXGGHZUCWOSR-UHFFFAOYSA-N 1 0 272.190 2.424 10 0 CEAERO COC(=O)[C@]1([NH3+])CC[C@H](Sc2cccs2)C1 ZINC000086629760 179314069 /nfs/dbraw/zinc/31/40/69/179314069.db2.gz RNFBSVLJTXYMSR-KWQFWETISA-N 1 0 257.380 2.263 10 0 CEAERO COc1ccc([C@@H]2C[NH2+]C[C@@H](C)CO2)cc1OC ZINC000086633717 179314950 /nfs/dbraw/zinc/31/49/50/179314950.db2.gz JOULQLPHHPIFEP-YGRLFVJLSA-N 1 0 251.326 2.001 10 0 CEAERO [NH3+]Cc1ccc2c(c1)nc([C@H]1CCOC1)n2C1CC1 ZINC000086641604 179315029 /nfs/dbraw/zinc/31/50/29/179315029.db2.gz FAXLYXHJYSKZTN-NSHDSACASA-N 1 0 257.337 2.334 10 0 CEAERO C[C@H]1C[NH+]=C(NC[C@@H]2Cc3ccccc3O2)SC1 ZINC000086633266 179315242 /nfs/dbraw/zinc/31/52/42/179315242.db2.gz SWGRLZVZUDDNCO-JQWIXIFHSA-N 1 0 262.378 2.319 10 0 CEAERO COC[C@@H](NC(=O)Nc1cccc([C@H](C)[NH3+])c1)C(C)C ZINC000086706963 179322054 /nfs/dbraw/zinc/32/20/54/179322054.db2.gz UGBIIYULXPSLHY-SMDDNHRTSA-N 1 0 279.384 2.499 10 0 CEAERO Cc1nnc(Sc2nc(C)c(C)c(C)n2)c(C[NH3+])c1C ZINC000086644045 179316065 /nfs/dbraw/zinc/31/60/65/179316065.db2.gz BKFOXQAVPLIBRX-UHFFFAOYSA-N 1 0 289.408 2.419 10 0 CEAERO Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2S(C)(=O)=O)c1 ZINC000086671437 179317846 /nfs/dbraw/zinc/31/78/46/179317846.db2.gz PKXRWIUHNMDKDT-ZIAGYGMSSA-N 1 0 267.394 2.050 10 0 CEAERO CS(=O)(=O)[C@H]1CCC[C@@H]1[NH2+]CCSc1ccccc1 ZINC000086675296 179318734 /nfs/dbraw/zinc/31/87/34/179318734.db2.gz GNJYLXZTNVAQLM-KBPBESRZSA-N 1 0 299.461 2.334 10 0 CEAERO CCN1CC[C@@H]([NH2+][C@H](C)c2ccc(OC)cc2OC)C1 ZINC000336897079 365940270 /nfs/dbraw/zinc/94/02/70/365940270.db2.gz OQTFJDOQTWJATB-CHWSQXEVSA-N 1 0 278.396 2.449 10 0 CEAERO CCn1cc(CO[C@]2(C[NH3+])CCC[C@@H](C)C2)cn1 ZINC000086712831 179322665 /nfs/dbraw/zinc/32/26/65/179322665.db2.gz ZHSSAHUZLXASRH-TZMCWYRMSA-N 1 0 251.374 2.327 10 0 CEAERO CCOC(=O)[C@H](C)OC1(C[NH3+])CCC(CC)CC1 ZINC000086713307 179322909 /nfs/dbraw/zinc/32/29/09/179322909.db2.gz FUOXVLOJFKXAFY-DCBWTQNWSA-N 1 0 257.374 2.252 10 0 CEAERO CCC[NH+]1CCC([N@@H+]2CCC[C@@H](CC(=O)[O-])C2)CC1 ZINC000086757056 179323565 /nfs/dbraw/zinc/32/35/65/179323565.db2.gz LKTXELNNEHHMEA-ZDUSSCGKSA-N 1 0 268.401 2.048 10 0 CEAERO CCNC(=O)Cc1ccc(N[C@H]2CCC[N@H+](C)CC2)cc1 ZINC000086818380 179347247 /nfs/dbraw/zinc/34/72/47/179347247.db2.gz IAELVPCDLQFMBO-HNNXBMFYSA-N 1 0 289.423 2.261 10 0 CEAERO C[N@@H+]1CCC[C@H](Nc2cccc(-n3cnnc3)c2)CC1 ZINC000086817873 179345758 /nfs/dbraw/zinc/34/57/58/179345758.db2.gz UYNGUQXFCFOAON-ZDUSSCGKSA-N 1 0 271.368 2.164 10 0 CEAERO C[C@@H]1Oc2ccc(N[C@H]3CCC[N@H+](C)CC3)cc2NC1=O ZINC000086817788 179345765 /nfs/dbraw/zinc/34/57/65/179345765.db2.gz BIUIZOKBEMPQIJ-RYUDHWBXSA-N 1 0 289.379 2.302 10 0 CEAERO C[C@@H]1Oc2ccc(N[C@@H]3CCC[N@H+](C)CC3)cc2NC1=O ZINC000086817786 179346008 /nfs/dbraw/zinc/34/60/08/179346008.db2.gz BIUIZOKBEMPQIJ-NWDGAFQWSA-N 1 0 289.379 2.302 10 0 CEAERO CNC(=O)c1cccc(N[C@@H]2CCC[N@H+](C)CC2)c1C ZINC000086818325 179346437 /nfs/dbraw/zinc/34/64/37/179346437.db2.gz HXULVUQGGXLLPV-CYBMUJFWSA-N 1 0 275.396 2.251 10 0 CEAERO CCCN[C@]1(c2nccs2)CCC[N@H+](C)CC1 ZINC000086833685 179350261 /nfs/dbraw/zinc/35/02/61/179350261.db2.gz YTBYGBRMZDCTDS-CYBMUJFWSA-N 1 0 253.415 2.454 10 0 CEAERO CCC[N@@H+]1CCC[C@H](N[C@H](C(=O)OC)C(C)C)CC1 ZINC000086837392 179351649 /nfs/dbraw/zinc/35/16/49/179351649.db2.gz QIWGMZUJFXNAIE-KBPBESRZSA-N 1 0 270.417 2.038 10 0 CEAERO CC(C)[N@@H+]1CCC[C@@H](NCc2nnc3ccccn32)CC1 ZINC000086836772 179352042 /nfs/dbraw/zinc/35/20/42/179352042.db2.gz VGPZXBRZRPAMNV-CQSZACIVSA-N 1 0 287.411 2.082 10 0 CEAERO CCC[N@@H+]1CCC[C@H]([NH2+][C@@H](CC(C)C)C(=O)[O-])CC1 ZINC000086843295 179352591 /nfs/dbraw/zinc/35/25/91/179352591.db2.gz QMWOTKUFSHNGMO-KBPBESRZSA-N 1 0 270.417 2.340 10 0 CEAERO CC[N@@H+]1CCC[C@H](NCc2nc(C)cs2)CC1 ZINC000086842207 179352876 /nfs/dbraw/zinc/35/28/76/179352876.db2.gz RYGNDZRTLWGMLX-LBPRGKRZSA-N 1 0 253.415 2.416 10 0 CEAERO CCCn1ccnc1[C@@]1(O)CCC[N@@H+](C(C)C)CC1 ZINC000086867641 179360548 /nfs/dbraw/zinc/36/05/48/179360548.db2.gz GCLFELXJUVKKBG-OAHLLOKOSA-N 1 0 265.401 2.375 10 0 CEAERO CCC[N@@H+]1CCC[C@@](CO)(NCc2cccs2)CC1 ZINC000086868240 179360884 /nfs/dbraw/zinc/36/08/84/179360884.db2.gz GOSJMCSUZDOSTB-OAHLLOKOSA-N 1 0 282.453 2.465 10 0 CEAERO COC(=O)[C@H](C(C)C)[C@]1(O)CCC[N@@H+](C(C)C)CC1 ZINC000086868332 179360993 /nfs/dbraw/zinc/36/09/93/179360993.db2.gz YBUSPPUAYIJEJY-ZFWWWQNUSA-N 1 0 271.401 2.057 10 0 CEAERO CC[N@H+]([C@@H]1CCC[NH+](C(C)C)CC1)C(C)(C)C(=O)[O-] ZINC000086868924 179361863 /nfs/dbraw/zinc/36/18/63/179361863.db2.gz ZKWXWAIXDKDZLM-CYBMUJFWSA-N 1 0 270.417 2.434 10 0 CEAERO CCC[N@@H+]1CCC[C@H]([NH+](CCC(=O)[O-])C2CC2)CC1 ZINC000086868717 179361968 /nfs/dbraw/zinc/36/19/68/179361968.db2.gz BYMYAKJUOVYQMT-ZDUSSCGKSA-N 1 0 268.401 2.190 10 0 CEAERO CCC[C@H]([NH2+][C@H]1CCC[N@H+](CCC)CC1)C(=O)[O-] ZINC000086868673 179362498 /nfs/dbraw/zinc/36/24/98/179362498.db2.gz PXJJWANKMOMXFV-STQMWFEESA-N 1 0 256.390 2.094 10 0 CEAERO CCC[N@@H+]1CCC[C@@H]([NH+]2CCC[C@@H]2CC(=O)[O-])CC1 ZINC000086869202 179362575 /nfs/dbraw/zinc/36/25/75/179362575.db2.gz GNNWGQBZWLGPLB-ZIAGYGMSSA-N 1 0 268.401 2.190 10 0 CEAERO CC(C)C[NH+](CC(C)C)[C@]1(CN)CCCOCC1 ZINC000086875065 179365011 /nfs/dbraw/zinc/36/50/11/179365011.db2.gz PSWXQIRYORHVFS-OAHLLOKOSA-N 1 0 256.434 2.498 10 0 CEAERO CN(Cc1ccc(F)cc1)[C@]1(C[NH3+])CCCOCC1 ZINC000086875089 179364526 /nfs/dbraw/zinc/36/45/26/179364526.db2.gz YQVZFVSMBUDDRV-OAHLLOKOSA-N 1 0 266.360 2.156 10 0 CEAERO COC(=O)[C@]1(NC2CCCC2)CCC[N@@H+](C(C)C)CC1 ZINC000086850374 179358482 /nfs/dbraw/zinc/35/84/82/179358482.db2.gz DTHGORVQKDLMQT-INIZCTEOSA-N 1 0 282.428 2.325 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH3+])c1cc(F)cc(F)c1 ZINC000086979091 179372584 /nfs/dbraw/zinc/37/25/84/179372584.db2.gz HFCDFXYRBFDXMG-LBPRGKRZSA-N 1 0 277.336 2.180 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH3+])c1ccccc1C ZINC000086978626 179372757 /nfs/dbraw/zinc/37/27/57/179372757.db2.gz JUBHDUARBHCNSY-ZDUSSCGKSA-N 1 0 255.383 2.210 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH3+])c1ccc2ccccc2n1 ZINC000086979645 179373106 /nfs/dbraw/zinc/37/31/06/179373106.db2.gz JTBLCURWNJPSMG-ZDUSSCGKSA-N 1 0 292.404 2.450 10 0 CEAERO CCc1nn(CC)c(C=C2C[NH2+]C2)c1Br ZINC000086881941 179365428 /nfs/dbraw/zinc/36/54/28/179365428.db2.gz DZLUTGNWOOVIBL-UHFFFAOYSA-N 1 0 270.174 2.215 10 0 CEAERO C[C@H]1CCC[C@@](C[NH3+])(N2CCOCC2(C)C)CC1 ZINC000086890937 179366492 /nfs/dbraw/zinc/36/64/92/179366492.db2.gz ULCVQTRGYLPKQK-DZGCQCFKSA-N 1 0 254.418 2.395 10 0 CEAERO C[C@H]1SCCC[C@@H]1[NH2+]CCOCC(F)(F)F ZINC000086945017 179368045 /nfs/dbraw/zinc/36/80/45/179368045.db2.gz JVJWMCHDNCPYPN-BDAKNGLRSA-N 1 0 257.321 2.439 10 0 CEAERO CC(C)[C@@H]1CCC[C@@H]([NH2+]CCS(C)(=O)=O)CC1 ZINC000086943840 179368122 /nfs/dbraw/zinc/36/81/22/179368122.db2.gz UZRARYXEQCJTJJ-CHWSQXEVSA-N 1 0 261.431 2.226 10 0 CEAERO CC(C)(C)[C@@H]1CCC[C@@](CO)(N2CC[NH2+]CC2)CC1 ZINC000086962035 179369427 /nfs/dbraw/zinc/36/94/27/179369427.db2.gz JDUWGYMWLSZFIR-GDBMZVCRSA-N 1 0 268.445 2.249 10 0 CEAERO COCCCc1noc(CC[C@H](CC[NH3+])C(C)C)n1 ZINC000086963068 179369653 /nfs/dbraw/zinc/36/96/53/179369653.db2.gz PDDSQRQJNCCYDG-GFCCVEGCSA-N 1 0 269.389 2.202 10 0 CEAERO C[NH2+][C@@H](c1cnccc1C)[C@@H]1CSCCS1 ZINC000086984799 179373859 /nfs/dbraw/zinc/37/38/59/179373859.db2.gz LOJMBSYCWGOIFC-RYUDHWBXSA-N 1 0 254.424 2.499 10 0 CEAERO CC[NH2+][C@H](CC)[C@@H](C)c1nc(CCCOC)no1 ZINC000086972124 179370522 /nfs/dbraw/zinc/37/05/22/179370522.db2.gz CBIXYNDVXVKCKE-GHMZBOCLSA-N 1 0 255.362 2.140 10 0 CEAERO CC[NH2+][C@H]1CCC[C@@H](CCCS(=O)(=O)CC)C1 ZINC000086981718 179373766 /nfs/dbraw/zinc/37/37/66/179373766.db2.gz QDHMQYKPRFNCTD-STQMWFEESA-N 1 0 261.431 2.370 10 0 CEAERO CCC[NH2+][C@H](CCCCS(=O)(=O)CC)C1CC1 ZINC000086976641 179371813 /nfs/dbraw/zinc/37/18/13/179371813.db2.gz KXEARVPLTBLWEC-CYBMUJFWSA-N 1 0 261.431 2.370 10 0 CEAERO CCS(=O)(=O)CCC[NH2+][C@H](C)Cc1ccc(C)s1 ZINC000086974544 179372174 /nfs/dbraw/zinc/37/21/74/179372174.db2.gz MGRMYWLKTYVLAR-LLVKDONJSA-N 1 0 289.466 2.402 10 0 CEAERO CCC(O)(CC)C[NH2+]Cc1nnc(-c2ccccc2)o1 ZINC000087028536 179381801 /nfs/dbraw/zinc/38/18/01/179381801.db2.gz LGNZLYBXNDBMCM-UHFFFAOYSA-N 1 0 275.352 2.377 10 0 CEAERO CCC[C@H](CC[NH3+])CCC(=O)NCC(O)(CC)CC ZINC000087027260 179381870 /nfs/dbraw/zinc/38/18/70/179381870.db2.gz PBNPNSSHHZILKU-ZDUSSCGKSA-N 1 0 272.433 2.199 10 0 CEAERO [NH3+][C@@H]1CCCc2sc([C@H]3CSCCO3)nc21 ZINC000086989893 179374438 /nfs/dbraw/zinc/37/44/38/179374438.db2.gz OAJPVJVZNQXKER-HTQZYQBOSA-N 1 0 256.396 2.284 10 0 CEAERO [NH3+][C@H]1CCCCC[C@@H]1NC(=O)c1c(F)cc(F)cc1F ZINC000086997968 179377238 /nfs/dbraw/zinc/37/72/38/179377238.db2.gz FPQAZTIJSQCLJZ-RYUDHWBXSA-N 1 0 286.297 2.494 10 0 CEAERO [NH3+]Cc1ccccc1CNC(=O)c1c(F)cc(F)cc1F ZINC000086997931 179377387 /nfs/dbraw/zinc/37/73/87/179377387.db2.gz GPPYZFBEYVWRAS-UHFFFAOYSA-N 1 0 294.276 2.493 10 0 CEAERO CC1(C)C[NH2+]C[C@@H](c2ccc3c(c2)OCCCO3)O1 ZINC000087006456 179378315 /nfs/dbraw/zinc/37/83/15/179378315.db2.gz LWXFKBPGOGEEMU-AWEZNQCLSA-N 1 0 263.337 2.287 10 0 CEAERO CC1(C)C[NH2+]C[C@H](c2ccc3c(c2)OCCCO3)O1 ZINC000087006454 179378506 /nfs/dbraw/zinc/37/85/06/179378506.db2.gz LWXFKBPGOGEEMU-CQSZACIVSA-N 1 0 263.337 2.287 10 0 CEAERO CC1(C)CCC(O)(C[NH2+][C@@H]2CCN(C3CC3)C2)CC1 ZINC000087046531 179387915 /nfs/dbraw/zinc/38/79/15/179387915.db2.gz AOGKKZBABXNZDO-CYBMUJFWSA-N 1 0 266.429 2.144 10 0 CEAERO CCC1CCC(O)(C[NH2+]Cc2nccn2CC)CC1 ZINC000087053455 179388548 /nfs/dbraw/zinc/38/85/48/179388548.db2.gz UTOXZBWPSRJFGI-UHFFFAOYSA-N 1 0 265.401 2.324 10 0 CEAERO CCC(O)(CC)C[NH2+]c1cc2ccccc2c(=O)[nH]1 ZINC000087029791 179382437 /nfs/dbraw/zinc/38/24/37/179382437.db2.gz CYGNRXRECHPRHW-UHFFFAOYSA-N 1 0 260.337 2.491 10 0 CEAERO COCC[NH2+]C[C@@H](C)OCc1ccc(Cl)cc1 ZINC000087096828 179394305 /nfs/dbraw/zinc/39/43/05/179394305.db2.gz YFOAMIQORULXMG-LLVKDONJSA-N 1 0 257.761 2.481 10 0 CEAERO CCC[NH2+][C@@H](CSCC)Cc1cnccc1N ZINC000087106224 179394831 /nfs/dbraw/zinc/39/48/31/179394831.db2.gz VCRPSSNZKVMJRB-GFCCVEGCSA-N 1 0 253.415 2.328 10 0 CEAERO CC[NH2+][C@H](Cc1nc(CSCC)no1)C(C)C ZINC000087106688 179395040 /nfs/dbraw/zinc/39/50/40/179395040.db2.gz XOIFHZUUYCPCFG-SNVBAGLBSA-N 1 0 257.403 2.499 10 0 CEAERO CC(C)(C)OC[C@H](O)C[NH2+]CC1(O)CCC(C)(C)CC1 ZINC000087064075 179390085 /nfs/dbraw/zinc/39/00/85/179390085.db2.gz NZYANWUKXYJVAI-CYBMUJFWSA-N 1 0 287.444 2.083 10 0 CEAERO CC(C)[NH2+][C@@H]1CCCN(CC2(O)CCC(C)(C)CC2)C1=O ZINC000087071287 179391295 /nfs/dbraw/zinc/39/12/95/179391295.db2.gz SZNXNDFNFVGECS-CQSZACIVSA-N 1 0 296.455 2.307 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)OCc1ccc(Cl)cc1 ZINC000087090930 179394108 /nfs/dbraw/zinc/39/41/08/179394108.db2.gz MIBXVRYWZUISTA-CABZTGNLSA-N 1 0 253.729 2.239 10 0 CEAERO C[C@@H](Oc1ccc(Br)cc1C[NH3+])[C@H](C)O ZINC000087125343 179396501 /nfs/dbraw/zinc/39/65/01/179396501.db2.gz CEUGAWHHDFALBX-JGVFFNPUSA-N 1 0 274.158 2.056 10 0 CEAERO O[C@@]1(Cc2cccc(F)c2F)CC[N@@H+](C2CC2)C1 ZINC000087166281 179398865 /nfs/dbraw/zinc/39/88/65/179398865.db2.gz UEIUHMBRPJQMIO-CQSZACIVSA-N 1 0 253.292 2.107 10 0 CEAERO COc1c(C)c[nH+]c(C[C@@H](O)[C@@H]2CCCOC2)c1C ZINC000087181050 179399230 /nfs/dbraw/zinc/39/92/30/179399230.db2.gz KDPMQIXHKXZISO-TZMCWYRMSA-N 1 0 265.353 2.037 10 0 CEAERO CCN1CCC[C@@H]([NH2+]Cc2nc3ccccc3n2C)C1 ZINC000066989203 362897782 /nfs/dbraw/zinc/89/77/82/362897782.db2.gz MRGSXLATZMKKFA-CYBMUJFWSA-N 1 0 272.396 2.147 10 0 CEAERO C[C@H]([NH3+])C1CCN(C(=O)c2cc(Cl)ccc2O)CC1 ZINC000104140762 185908679 /nfs/dbraw/zinc/90/86/79/185908679.db2.gz DJVUKYCYDLIANQ-VIFPVBQESA-N 1 0 282.771 2.245 10 0 CEAERO CCn1c2ccc([C@@H]([NH3+])C[C@H]3CCCO3)cc2oc1=O ZINC000087214907 179402700 /nfs/dbraw/zinc/40/27/00/179402700.db2.gz HJIMPEJHYBADFQ-NEPJUHHUSA-N 1 0 276.336 2.183 10 0 CEAERO [NH3+]CC[C@H]1CN(C(=O)CC[C@H]2CCCO2)c2ccccc21 ZINC000087236894 179403462 /nfs/dbraw/zinc/40/34/62/179403462.db2.gz VOAMGMFHKYKGPZ-UONOGXRCSA-N 1 0 288.391 2.425 10 0 CEAERO C[NH2+]Cc1nn(CC[C@H]2CCCO2)c2ccccc12 ZINC000087278302 179407404 /nfs/dbraw/zinc/40/74/04/179407404.db2.gz WUVQNSFKTDCZPA-GFCCVEGCSA-N 1 0 259.353 2.325 10 0 CEAERO CC(C)CSCc1noc(CC[NH2+]C(C)C)n1 ZINC000087121523 179396191 /nfs/dbraw/zinc/39/61/91/179396191.db2.gz WDPHGJVWUMIYHX-UHFFFAOYSA-N 1 0 257.403 2.499 10 0 CEAERO CCOCCC[NH2+]C[C@H](c1cccc(OC)c1)N(C)C ZINC000087325156 179412797 /nfs/dbraw/zinc/41/27/97/179412797.db2.gz DUZOAMNSYSOVEO-MRXNPFEDSA-N 1 0 280.412 2.314 10 0 CEAERO CCOCCCOc1c(OC)cc(C[C@@H](C)[NH3+])cc1OC ZINC000087326116 179413152 /nfs/dbraw/zinc/41/31/52/179413152.db2.gz YZHHJEBGRSHZQR-GFCCVEGCSA-N 1 0 297.395 2.399 10 0 CEAERO CC[NH2+]Cc1ncc(-c2ccc3c(c2)OCCO3)o1 ZINC000087328533 179413214 /nfs/dbraw/zinc/41/32/14/179413214.db2.gz AIGQHQXQPGLKCS-UHFFFAOYSA-N 1 0 260.293 2.222 10 0 CEAERO CC(C)c1nnsc1C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000087442993 179426158 /nfs/dbraw/zinc/42/61/58/179426158.db2.gz JWJFQEMMBIEBEF-SNVBAGLBSA-N 1 0 282.413 2.005 10 0 CEAERO C[NH2+][C@H](Cc1ccc2c(c1)CCC2)c1cnn(C)c1 ZINC000087423240 179423710 /nfs/dbraw/zinc/42/37/10/179423710.db2.gz FNSGOUYZCJNUHC-MRXNPFEDSA-N 1 0 255.365 2.412 10 0 CEAERO CC[C@H]([NH3+])[C@H](C)c1nc(Cc2csc(C)n2)no1 ZINC000104165271 185915250 /nfs/dbraw/zinc/91/52/50/185915250.db2.gz SKGCYDLXEPPTAA-XVKPBYJWSA-N 1 0 266.370 2.266 10 0 CEAERO Cc1ccc(CNC(=O)C(C)(C)C(C)(C)[NH3+])s1 ZINC000087629395 179458841 /nfs/dbraw/zinc/45/88/41/179458841.db2.gz HCVGHMLDAAEFHR-UHFFFAOYSA-N 1 0 254.399 2.436 10 0 CEAERO [NH3+][C@H]1CC[C@@](O)(Cc2ccc(Br)cc2F)C1 ZINC000087654264 179464049 /nfs/dbraw/zinc/46/40/49/179464049.db2.gz JLRKGDRHHLFARW-CMPLNLGQSA-N 1 0 288.160 2.373 10 0 CEAERO Cc1nnc(SCc2cc(F)ccc2F)n1CC[NH3+] ZINC000087711502 179476448 /nfs/dbraw/zinc/47/64/48/179476448.db2.gz KPXDMXJFYIJSFX-UHFFFAOYSA-N 1 0 284.335 2.116 10 0 CEAERO Cc1cc([C@@H]([NH3+])CC(C)(C)C(N)=O)cc(C)c1F ZINC000087723334 179477951 /nfs/dbraw/zinc/47/79/51/179477951.db2.gz FFPUDFLRZXISDL-NSHDSACASA-N 1 0 252.333 2.344 10 0 CEAERO O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CCC[C@H]2CCC[C@@H]21 ZINC000087770405 179484011 /nfs/dbraw/zinc/48/40/11/179484011.db2.gz IUVAMRWALQRKFD-COXVUDFISA-N 1 0 284.403 2.492 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)Nc1ccccc1-n1ccnc1 ZINC000087516975 179438774 /nfs/dbraw/zinc/43/87/74/179438774.db2.gz IIYDUSPIPZJJTA-LBPRGKRZSA-N 1 0 272.352 2.186 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)Nc1ccc(C(=O)OC)cc1C ZINC000087522190 179439392 /nfs/dbraw/zinc/43/93/92/179439392.db2.gz HJPHIYFRJULKBQ-GFCCVEGCSA-N 1 0 278.352 2.095 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000087519646 179439672 /nfs/dbraw/zinc/43/96/72/179439672.db2.gz FZFFKIIMKNRTCX-FZLLLIJMSA-N 1 0 264.413 2.302 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N(CCCOCC)CC(F)(F)F ZINC000087526248 179441126 /nfs/dbraw/zinc/44/11/26/179441126.db2.gz AILJRLUGIYGJOP-LLVKDONJSA-N 1 0 298.349 2.179 10 0 CEAERO CC[NH2+][C@@](C)(CCO)c1cccc(OC(F)F)c1 ZINC000087564316 179446747 /nfs/dbraw/zinc/44/67/47/179446747.db2.gz ZJQDKBOYXGXNPF-ZDUSSCGKSA-N 1 0 259.296 2.495 10 0 CEAERO C[NH2+]C1(Cc2nncn2CC(C)C)CCCCC1 ZINC000087571804 179447473 /nfs/dbraw/zinc/44/74/73/179447473.db2.gz SISCCOPZADCBIA-UHFFFAOYSA-N 1 0 250.390 2.399 10 0 CEAERO CC(C)(C[NH3+])CCOc1ccc2c(c1)CCC(=O)N2 ZINC000087590964 179450968 /nfs/dbraw/zinc/45/09/68/179450968.db2.gz GJLJBUKMBKSJHZ-UHFFFAOYSA-N 1 0 262.353 2.325 10 0 CEAERO Cc1ccc(C)c(S(=O)(=O)CCC(C)(C)C[NH3+])c1 ZINC000087596307 179452643 /nfs/dbraw/zinc/45/26/43/179452643.db2.gz PTKCDRLJCCNADP-UHFFFAOYSA-N 1 0 269.410 2.452 10 0 CEAERO C[C@@H]1C[NH+](CCCC(C)(C)C(N)=S)C[C@@H](C)O1 ZINC000087607798 179453312 /nfs/dbraw/zinc/45/33/12/179453312.db2.gz SZTWCJFRJOKEST-GHMZBOCLSA-N 1 0 258.431 2.188 10 0 CEAERO c1cc(N[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)n[nH]1 ZINC000616628280 348539411 /nfs/dbraw/zinc/53/94/11/348539411.db2.gz MIZDFYTXSYENPY-HNNXBMFYSA-N 1 0 270.380 2.298 10 0 CEAERO c1nc([C@H]2C[N@H+](Cc3ccccc3)CCCO2)c[nH]1 ZINC000616650674 348547721 /nfs/dbraw/zinc/54/77/21/348547721.db2.gz CYCWXKDZCXLVKY-OAHLLOKOSA-N 1 0 257.337 2.373 10 0 CEAERO CC(C)[N@@H+]1CCCO[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000616650362 348547800 /nfs/dbraw/zinc/54/78/00/348547800.db2.gz YTWZMZNWUQWPTB-LBPRGKRZSA-N 1 0 272.389 2.310 10 0 CEAERO c1ccc(C[N@@H+]2CCCO[C@@H](c3cncnc3)C2)cc1 ZINC000616651384 348548678 /nfs/dbraw/zinc/54/86/78/348548678.db2.gz NBMMVCOBTMUWFY-MRXNPFEDSA-N 1 0 269.348 2.440 10 0 CEAERO c1cc(N[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)n[nH]1 ZINC000616654109 348549098 /nfs/dbraw/zinc/54/90/98/348549098.db2.gz MIZDFYTXSYENPY-OAHLLOKOSA-N 1 0 270.380 2.298 10 0 CEAERO CN(C(=O)OC(C)(C)C)c1cccc([C@@H]2C[NH2+]CCN2)c1 ZINC000616654124 348549447 /nfs/dbraw/zinc/54/94/47/348549447.db2.gz MIHRUZDQCWCXOP-AWEZNQCLSA-N 1 0 291.395 2.292 10 0 CEAERO COc1ccc(CN2Cc3ccccc3C2)cc1C(N)=[NH2+] ZINC000087827943 179496287 /nfs/dbraw/zinc/49/62/87/179496287.db2.gz XOKUMPMGDHRYHF-UHFFFAOYSA-N 1 0 281.359 2.495 10 0 CEAERO CC[NH2+][C@@H](CCc1cccs1)[C@@H]1COCCO1 ZINC000087857906 179502336 /nfs/dbraw/zinc/50/23/36/179502336.db2.gz RWXUIQQDHUJYHS-STQMWFEESA-N 1 0 255.383 2.074 10 0 CEAERO Nc1ccc([C@@H]2CCOCC[N@@H+]2Cc2ccccc2)cn1 ZINC000616597195 348529003 /nfs/dbraw/zinc/52/90/03/348529003.db2.gz BQDSLZZMWBZKOF-INIZCTEOSA-N 1 0 283.375 2.458 10 0 CEAERO CC[N@@H+]1CCOCC[C@H]1c1cnnc2ccccc21 ZINC000616597678 348529241 /nfs/dbraw/zinc/52/92/41/348529241.db2.gz ICQCJTPJQSGGIC-HNNXBMFYSA-N 1 0 257.337 2.413 10 0 CEAERO C[C@@H](Nc1nc(NN)[nH+]cc1Cl)C1CCCC1 ZINC000087879305 179508247 /nfs/dbraw/zinc/50/82/47/179508247.db2.gz JUQORJSIUWZULC-SSDOTTSWSA-N 1 0 255.753 2.406 10 0 CEAERO CC(=O)[C@H]1CCCC[N@H+](CCNC(=O)OC(C)(C)C)C1 ZINC000616604031 348532188 /nfs/dbraw/zinc/53/21/88/348532188.db2.gz ZXFVZJMXAQOFQF-ZDUSSCGKSA-N 1 0 284.400 2.202 10 0 CEAERO OCC[N@@H+]1CCCC[C@H]1c1cccc2ccnnc21 ZINC000616616687 348535870 /nfs/dbraw/zinc/53/58/70/348535870.db2.gz TUQPYQMRCCKYMB-AWEZNQCLSA-N 1 0 257.337 2.149 10 0 CEAERO [NH3+]CCN1CCC[C@@H](c2ccc3cccnc3c2)C1 ZINC000616620545 348537278 /nfs/dbraw/zinc/53/72/78/348537278.db2.gz LMPJOVZVCSYSJD-OAHLLOKOSA-N 1 0 255.365 2.373 10 0 CEAERO CC(C)(C)OC(=O)NCC[C@@H]1CCCCC[N@@H+]1CCO ZINC000616625678 348538575 /nfs/dbraw/zinc/53/85/75/348538575.db2.gz SZVAPLCAFFPMPG-ZDUSSCGKSA-N 1 0 286.416 2.138 10 0 CEAERO CCn1cc([C@H]([NH3+])[C@@H]2CCOc3ccccc32)cn1 ZINC000088019434 179536561 /nfs/dbraw/zinc/53/65/61/179536561.db2.gz MRDJPHLDAOFCFK-HIFRSBDPSA-N 1 0 257.337 2.469 10 0 CEAERO C[NH2+][C@H](c1cccnc1N)C1Cc2ccccc2C1 ZINC000088029546 179537034 /nfs/dbraw/zinc/53/70/34/179537034.db2.gz BLWRSSIOGWYZRX-HNNXBMFYSA-N 1 0 253.349 2.339 10 0 CEAERO C[NH2+][C@H](CCCS(C)(=O)=O)[C@H]1CCc2ccccc2C1 ZINC000088033481 179537250 /nfs/dbraw/zinc/53/72/50/179537250.db2.gz XQEQBWDTERIWAK-JKSUJKDBSA-N 1 0 295.448 2.204 10 0 CEAERO CC[NH2+]Cc1cnc([C@H]2COc3ccccc3C2)nc1 ZINC000088039869 179537895 /nfs/dbraw/zinc/53/78/95/179537895.db2.gz HZBOGZVYUVIDJK-CQSZACIVSA-N 1 0 269.348 2.305 10 0 CEAERO C[C@@H]([NH3+])C[S@](=O)Cc1sccc1Br ZINC000088069984 179543870 /nfs/dbraw/zinc/54/38/70/179543870.db2.gz VLEDIMSTGJIMSJ-CAAJLBCPSA-N 1 0 282.228 2.107 10 0 CEAERO C[C@H]([NH3+])C[S@@](=O)Cc1ccc(F)c(Br)c1 ZINC000088070025 179543915 /nfs/dbraw/zinc/54/39/15/179543915.db2.gz LQNGXRGLFHQBRV-ZIDLFYJRSA-N 1 0 294.189 2.184 10 0 CEAERO CS(=O)(=O)CCC[C@H](C[NH2+]C1CC1)c1ccccc1 ZINC000088098736 179546968 /nfs/dbraw/zinc/54/69/68/179546968.db2.gz LBRKBKWLUPPXOR-CQSZACIVSA-N 1 0 281.421 2.347 10 0 CEAERO C[C@H](C[NH3+])C[S@@](=O)Cc1ccc(Br)s1 ZINC000088089799 179547043 /nfs/dbraw/zinc/54/70/43/179547043.db2.gz ILEBAVIJUPWWNE-UOWDBTKRSA-N 1 0 296.255 2.354 10 0 CEAERO Cc1cc(-c2noc([C@H]3C[NH2+]C[C@H]3C)n2)cc(C)c1O ZINC000088153375 179558318 /nfs/dbraw/zinc/55/83/18/179558318.db2.gz PRUDSLLPOYQBFE-PWSUYJOCSA-N 1 0 273.336 2.382 10 0 CEAERO COc1ccc([C@H](C[NH3+])C[C@H](C)O)cc1Br ZINC000088187271 179560886 /nfs/dbraw/zinc/56/08/86/179560886.db2.gz NGPSMKWDCAPRGQ-WPRPVWTQSA-N 1 0 288.185 2.271 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1cnn(C)c1)N(C)CCc1ccccc1 ZINC000088193554 179562697 /nfs/dbraw/zinc/56/26/97/179562697.db2.gz YWXBLGMQYUVOIS-IRXDYDNUSA-N 1 0 286.423 2.373 10 0 CEAERO [NH3+]CCN1C[C@H](c2ccccc2CO)Nc2ccccc21 ZINC000616683868 348559674 /nfs/dbraw/zinc/55/96/74/348559674.db2.gz JCJUEGBXVXGOJE-MRXNPFEDSA-N 1 0 283.375 2.111 10 0 CEAERO [NH3+]CCN1C[C@H](c2ccc(CCO)cc2)Nc2ccccc21 ZINC000616686154 348560757 /nfs/dbraw/zinc/56/07/57/348560757.db2.gz XTZBQDJQARCLFR-QGZVFWFLSA-N 1 0 297.402 2.153 10 0 CEAERO [NH3+]CCN1c2ccccc2NC[C@@H]1c1ccc(CO)cc1 ZINC000616692525 348562703 /nfs/dbraw/zinc/56/27/03/348562703.db2.gz VIVFASVFFGSUJR-QGZVFWFLSA-N 1 0 283.375 2.111 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1cccnc1)N(C)CCC(F)(F)F ZINC000088416482 179596350 /nfs/dbraw/zinc/59/63/50/179596350.db2.gz YHDYXDHKLQWKFM-ONGXEEELSA-N 1 0 261.291 2.354 10 0 CEAERO COc1cc(F)ccc1NC(=O)[C@@H]1C[NH2+]C[C@H](C)C1 ZINC000088450384 179606120 /nfs/dbraw/zinc/60/61/20/179606120.db2.gz TYLFIFQZLSDHFK-ZJUUUORDSA-N 1 0 266.316 2.018 10 0 CEAERO COCc1ccccc1C[NH2+]CCN1CCCCC1 ZINC000088557180 179623925 /nfs/dbraw/zinc/62/39/25/179623925.db2.gz URQNEJXNKIJXAX-UHFFFAOYSA-N 1 0 262.397 2.409 10 0 CEAERO CC(C)Cn1ncnc1COC1(C[NH3+])CCC(C)CC1 ZINC000088584924 179630701 /nfs/dbraw/zinc/63/07/01/179630701.db2.gz NYZZIOCNHUBPQT-UHFFFAOYSA-N 1 0 280.416 2.358 10 0 CEAERO C[C@@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2ccc(F)cc2N)C1 ZINC000088699709 179652339 /nfs/dbraw/zinc/65/23/39/179652339.db2.gz XYPLMQHOSWTWIT-GHMZBOCLSA-N 1 0 279.359 2.467 10 0 CEAERO COc1ccccc1[C@@](C)([NH3+])Cc1ncnn1C(C)C ZINC000088607073 179636436 /nfs/dbraw/zinc/63/64/36/179636436.db2.gz CDTVVZXNFYXNBB-HNNXBMFYSA-N 1 0 274.368 2.284 10 0 CEAERO COc1cccc([C@@H]([NH3+])Cc2ncnn2CC(C)C)c1 ZINC000088609887 179637261 /nfs/dbraw/zinc/63/72/61/179637261.db2.gz TZURYRYHZDMWNS-AWEZNQCLSA-N 1 0 274.368 2.185 10 0 CEAERO C[NH2+][C@H](Cc1ncnn1CC(C)C)c1ccccc1OC ZINC000088609856 179637384 /nfs/dbraw/zinc/63/73/84/179637384.db2.gz QRSPMFXRMLURBN-CQSZACIVSA-N 1 0 288.395 2.446 10 0 CEAERO CC(C)C[C@@H]1CN(Cc2ncnn2C(C)C)C(C)(C)C[NH2+]1 ZINC000088625476 179642377 /nfs/dbraw/zinc/64/23/77/179642377.db2.gz HQXBGCMMZHHCTH-CQSZACIVSA-N 1 0 293.459 2.458 10 0 CEAERO CC(C)[C@@H]1CN(Cc2ncnn2C(C)C)[C@@H](C)CC[NH2+]1 ZINC000088625905 179643027 /nfs/dbraw/zinc/64/30/27/179643027.db2.gz LFWRHOFHSWHPJU-KBPBESRZSA-N 1 0 279.432 2.067 10 0 CEAERO CCc1nc(CC)n(C[C@H](C)C[NH2+]C(C)(C)C)n1 ZINC000088742655 179663016 /nfs/dbraw/zinc/66/30/16/179663016.db2.gz GCCAJKYSQRMYSS-LLVKDONJSA-N 1 0 252.406 2.427 10 0 CEAERO C[NH2+]Cc1ccccc1S(=O)(=O)NC1CCCCC1 ZINC000088974951 179688354 /nfs/dbraw/zinc/68/83/54/179688354.db2.gz SROHYYQWDJUBJW-UHFFFAOYSA-N 1 0 282.409 2.017 10 0 CEAERO CCCN(CC1CC1)S(=O)(=O)c1ccsc1C[NH3+] ZINC000088994839 179689998 /nfs/dbraw/zinc/68/99/98/179689998.db2.gz XJQWBRSHDAYGFC-UHFFFAOYSA-N 1 0 288.438 2.018 10 0 CEAERO C[NH2+]Cc1ccc(C)c(S(=O)(=O)N(C)CCC(C)C)c1 ZINC000088991631 179690119 /nfs/dbraw/zinc/69/01/19/179690119.db2.gz KKKAMFDQHVLSDM-UHFFFAOYSA-N 1 0 298.452 2.381 10 0 CEAERO CC(C)[NH2+]CCCCS(=O)(=O)NC1(C)CCCCC1 ZINC000089013343 179691016 /nfs/dbraw/zinc/69/10/16/179691016.db2.gz FUOXCLQZJHACPA-UHFFFAOYSA-N 1 0 290.473 2.407 10 0 CEAERO CCC[NH2+]C[C@H](C)S(=O)(=O)N(C)[C@@H](C)CC(C)C ZINC000089004998 179691231 /nfs/dbraw/zinc/69/12/31/179691231.db2.gz NTFOMXIMVBIWSO-STQMWFEESA-N 1 0 278.462 2.071 10 0 CEAERO COc1cc(Cl)ccc1-c1nnc(CC[NH3+])s1 ZINC000088811190 179676367 /nfs/dbraw/zinc/67/63/67/179676367.db2.gz MQECCJBFLVBYJD-UHFFFAOYSA-N 1 0 269.757 2.368 10 0 CEAERO NC(=[NH2+])CCN(CCOC(F)(F)F)c1ccccc1 ZINC000089052102 179694009 /nfs/dbraw/zinc/69/40/09/179694009.db2.gz PAGOSORJPNFKRR-UHFFFAOYSA-N 1 0 275.274 2.355 10 0 CEAERO FC(F)(F)OCCN1CC[NH2+]C[C@H]1C1CCCCC1 ZINC000089056829 179695037 /nfs/dbraw/zinc/69/50/37/179695037.db2.gz TVUMVQKGEBGBPI-LBPRGKRZSA-N 1 0 280.334 2.377 10 0 CEAERO CN(Cc1nc2ccccc2[nH]1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089112120 179707399 /nfs/dbraw/zinc/70/73/99/179707399.db2.gz NPZOKVWVOZZDFO-BXUZGUMPSA-N 1 0 258.369 2.122 10 0 CEAERO CCS(=O)(=O)c1ccccc1N[C@H]1CCC[C@@H]1C[NH3+] ZINC000089105918 179701455 /nfs/dbraw/zinc/70/14/55/179701455.db2.gz FTSTWUFMYPHAAW-NEPJUHHUSA-N 1 0 282.409 2.020 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1c(F)cc(F)cc1F ZINC000089107139 179703238 /nfs/dbraw/zinc/70/32/38/179703238.db2.gz PWWOBNZJQGOARI-QPUJVOFHSA-N 1 0 286.297 2.351 10 0 CEAERO CN(C(=O)c1nccc2ccccc21)[C@H]1CCC[C@H]1C[NH3+] ZINC000089110609 179705219 /nfs/dbraw/zinc/70/52/19/179705219.db2.gz JMZQYCFTDQYGKH-ZFWWWQNUSA-N 1 0 283.375 2.434 10 0 CEAERO CN(C(=O)CSC(C)(C)C)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089110183 179705491 /nfs/dbraw/zinc/70/54/91/179705491.db2.gz OKCMOODXAYTGCL-MNOVXSKESA-N 1 0 258.431 2.104 10 0 CEAERO CCOc1ccc(C(=O)N(C)[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089110743 179706288 /nfs/dbraw/zinc/70/62/88/179706288.db2.gz NFQGRJGUIHFRTB-HIFRSBDPSA-N 1 0 276.380 2.285 10 0 CEAERO CCN(C(=O)c1c(F)cccc1OC)[C@H]1CCC[C@H]1C[NH3+] ZINC000089113731 179708108 /nfs/dbraw/zinc/70/81/08/179708108.db2.gz WBOOPCTWVAFTHW-AAEUAGOBSA-N 1 0 294.370 2.424 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1Nc1ccccc1-n1ccnc1 ZINC000089148234 179723651 /nfs/dbraw/zinc/72/36/51/179723651.db2.gz TYCNYTNQRAMBQG-CHWSQXEVSA-N 1 0 256.353 2.412 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1Nc1ccc(Cn2cccn2)cc1 ZINC000089149944 179725055 /nfs/dbraw/zinc/72/50/55/179725055.db2.gz VFLXHLVTKCMUHH-GDBMZVCRSA-N 1 0 270.380 2.471 10 0 CEAERO Cc1ccnc(Sc2nc3sccn3c2CC[NH3+])n1 ZINC000104302087 185959052 /nfs/dbraw/zinc/95/90/52/185959052.db2.gz MMMOILFUOWRJIM-UHFFFAOYSA-N 1 0 291.405 2.147 10 0 CEAERO CCC[NH2+]C[C@H]1CCCN1Cc1cc(C)nn1CC ZINC000089185803 179746813 /nfs/dbraw/zinc/74/68/13/179746813.db2.gz YGRCJMXWDIXWTR-CQSZACIVSA-N 1 0 264.417 2.175 10 0 CEAERO C[NH2+][C@H](Cc1c(Cl)c(C)nn1C)Cc1ccncc1 ZINC000089251312 179760751 /nfs/dbraw/zinc/76/07/51/179760751.db2.gz COKQAMLNXZNIQA-LBPRGKRZSA-N 1 0 278.787 2.150 10 0 CEAERO CCn1nc(C)cc1C[C@@H]([NH3+])c1cccc(OC)c1 ZINC000089192480 179748939 /nfs/dbraw/zinc/74/89/39/179748939.db2.gz VHFXRYXOABTOPP-OAHLLOKOSA-N 1 0 259.353 2.463 10 0 CEAERO C[C@H]1C[C@H](O)C[N@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000401915712 233186388 /nfs/dbraw/zinc/18/63/88/233186388.db2.gz SNMAIMDNDKKDCT-HZMBPMFUSA-N 1 0 281.783 2.478 10 0 CEAERO CCC[NH2+][C@@H](CSCC)Cc1cc(C)nn1C ZINC000089198663 179751590 /nfs/dbraw/zinc/75/15/90/179751590.db2.gz PSMAYKXUBIKGJN-GFCCVEGCSA-N 1 0 255.431 2.392 10 0 CEAERO CCc1cc(C[C@H]([NH2+]C)[C@@H]2Cc3ccccc32)n(C)n1 ZINC000089198531 179751694 /nfs/dbraw/zinc/75/16/94/179751694.db2.gz FOXWICDYHSEOAZ-SJORKVTESA-N 1 0 269.392 2.453 10 0 CEAERO Cc1ccc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])c(F)c1 ZINC000089450174 539715770 /nfs/dbraw/zinc/71/57/70/539715770.db2.gz PWCKYPPWIVUKMP-MNOVXSKESA-N 1 0 250.317 2.448 10 0 CEAERO CN(Cc1cccs1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089450703 539715848 /nfs/dbraw/zinc/71/58/48/539715848.db2.gz RNXJKSKMKSKJNN-CMPLNLGQSA-N 1 0 252.383 2.082 10 0 CEAERO Cc1ccccc1CN(C)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089450866 539716006 /nfs/dbraw/zinc/71/60/06/539716006.db2.gz FYWFXOMIFDMVBD-DZGCQCFKSA-N 1 0 260.381 2.328 10 0 CEAERO CC[C@@H]1CN(Cc2cc(C)nn2CC)[C@H](C(C)C)C[NH2+]1 ZINC000089209704 179755011 /nfs/dbraw/zinc/75/50/11/179755011.db2.gz VYQVJNSUQWJJAQ-ZBFHGGJFSA-N 1 0 278.444 2.420 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(Cc2cc(C)nn2C)C(C)(C)C[NH2+]1 ZINC000089210322 179755377 /nfs/dbraw/zinc/75/53/77/179755377.db2.gz ZWESBHSXZUTRTF-DOMZBBRYSA-N 1 0 278.444 2.327 10 0 CEAERO CCC[C@H]1C[NH2+][C@@H](C2CC2)CN1Cc1cc(CC)nn1C ZINC000089211013 179755590 /nfs/dbraw/zinc/75/55/90/179755590.db2.gz LTBQQLHICQGSKF-DOTOQJQBSA-N 1 0 290.455 2.335 10 0 CEAERO CCS(=O)(=O)c1ccccc1NC[C@@]1(C)CCC[NH2+]C1 ZINC000129419596 187430023 /nfs/dbraw/zinc/43/00/23/187430023.db2.gz KSJADHKTKQQMAJ-HNNXBMFYSA-N 1 0 296.436 2.282 10 0 CEAERO CC1(C)CCC(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089463115 539718797 /nfs/dbraw/zinc/71/87/97/539718797.db2.gz KVNFWUZIDSCDGW-WCQYABFASA-N 1 0 252.402 2.446 10 0 CEAERO CCc1nn(C)c(COC[C@](C)([NH3+])CC)c1Cl ZINC000089321212 179769339 /nfs/dbraw/zinc/76/93/39/179769339.db2.gz CAWCHLCWQWAKCD-GFCCVEGCSA-N 1 0 259.781 2.280 10 0 CEAERO CCc1nn(C)c(CN2CC(C)(C)[NH2+]C[C@@H]2C)c1Cl ZINC000089346281 179771371 /nfs/dbraw/zinc/77/13/71/179771371.db2.gz LHNUAAUCXWZHQV-JTQLQIEISA-N 1 0 284.835 2.208 10 0 CEAERO Cc1nnc([C@@H]2CCC[C@@H]2C[NH3+])n1-c1ccccc1 ZINC000089437108 179788179 /nfs/dbraw/zinc/78/81/79/179788179.db2.gz WQJQZJVOBYBUNL-TZMCWYRMSA-N 1 0 256.353 2.418 10 0 CEAERO CN(CC1CCCCC1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089457323 179794658 /nfs/dbraw/zinc/79/46/58/179794658.db2.gz SIPYICRDCFZWFG-ZIAGYGMSSA-N 1 0 252.402 2.400 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1CNC(=O)CC[C@@H]1CCCCO1 ZINC000089531642 179811200 /nfs/dbraw/zinc/81/12/00/179811200.db2.gz QAHRPKZGGPZPAG-KKUMJFAQSA-N 1 0 282.428 2.217 10 0 CEAERO COc1cc(C(=O)NC[C@@H]2CCCC[C@H]2C[NH3+])ccc1C ZINC000089531223 179811380 /nfs/dbraw/zinc/81/13/80/179811380.db2.gz CNIMCYLSBCVALJ-GJZGRUSLSA-N 1 0 290.407 2.499 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1CNC(=O)C1(c2ccccc2)CC1 ZINC000089500382 179805020 /nfs/dbraw/zinc/80/50/20/179805020.db2.gz JLRDETDJKUNFLQ-KGLIPLIRSA-N 1 0 272.392 2.209 10 0 CEAERO CCC[C@H](CC[NH3+])CCC(=O)NC[C@H]1CCC[C@@H]1CO ZINC000089501720 179805602 /nfs/dbraw/zinc/80/56/02/179805602.db2.gz AHNANPOYNXLDHZ-RRFJBIMHSA-N 1 0 284.444 2.057 10 0 CEAERO COC(=O)C[C@H]([NH2+]C[C@@H]1CCCOC1)c1cccs1 ZINC000104318569 185966953 /nfs/dbraw/zinc/96/69/53/185966953.db2.gz XCLALZVQWPFXAS-RYUDHWBXSA-N 1 0 283.393 2.369 10 0 CEAERO CCCCN(CC[NH3+])C(=O)c1ccc(F)c(F)c1 ZINC000104320472 185967422 /nfs/dbraw/zinc/96/74/22/185967422.db2.gz YYYGFJAXFFJLOL-UHFFFAOYSA-N 1 0 256.296 2.166 10 0 CEAERO CCN(c1ncnc2sccc21)[C@H]1CCC[NH2+]C1 ZINC000104327523 185970051 /nfs/dbraw/zinc/97/00/51/185970051.db2.gz MRQFBBFIBPFOFX-JTQLQIEISA-N 1 0 262.382 2.270 10 0 CEAERO O=C(C[C@@H]1CC[NH2+]C1)Nc1cc(F)cc(F)c1F ZINC000089747857 179858847 /nfs/dbraw/zinc/85/88/47/179858847.db2.gz MZCJHIOEJHSZEJ-ZETCQYMHSA-N 1 0 258.243 2.042 10 0 CEAERO C[C@@H]([NH2+][C@H]1CCC(=O)NC1=O)c1ccc(C(C)(C)C)cc1 ZINC000089753236 179860346 /nfs/dbraw/zinc/86/03/46/179860346.db2.gz RGBMPTXTJMALGZ-RISCZKNCSA-N 1 0 288.391 2.440 10 0 CEAERO CCN(CCC[NH2+]CC1CCC(C)CC1)S(C)(=O)=O ZINC000089576775 179823358 /nfs/dbraw/zinc/82/33/58/179823358.db2.gz NBTBCXGXVZYMSM-UHFFFAOYSA-N 1 0 290.473 2.074 10 0 CEAERO CCN(C1C[NH2+]C1)C1CCC(C(F)(F)F)CC1 ZINC000090290735 179950421 /nfs/dbraw/zinc/95/04/21/179950421.db2.gz YKMFINLYDHEBFC-UHFFFAOYSA-N 1 0 250.308 2.401 10 0 CEAERO CCN(C(=O)Nc1ccc(C)c(Cl)c1)C1C[NH2+]C1 ZINC000090291336 179951342 /nfs/dbraw/zinc/95/13/42/179951342.db2.gz UIIFMQWPMOCYOG-UHFFFAOYSA-N 1 0 267.760 2.474 10 0 CEAERO CCCN([C@@H](C)Cc1ccc(OC)c(OC)c1)C1C[NH2+]C1 ZINC000090292468 179951502 /nfs/dbraw/zinc/95/15/02/179951502.db2.gz XHDSHRGONHMJFY-ZDUSSCGKSA-N 1 0 292.423 2.319 10 0 CEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C(=O)c1ccc(F)cc1F ZINC000090330880 179962183 /nfs/dbraw/zinc/96/21/83/179962183.db2.gz MYMDPVADDICBKS-LJWDBELGSA-N 1 0 280.318 2.035 10 0 CEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C(=O)c1cc(C)cc(C)c1 ZINC000090331080 179962382 /nfs/dbraw/zinc/96/23/82/179962382.db2.gz GNLMDXPWMPWUAG-OWCLPIDISA-N 1 0 272.392 2.373 10 0 CEAERO Cc1cccc(C(=O)N2C[C@@H]3C[NH2+]C[C@@H]3C2(C)C)c1C ZINC000090336331 179964983 /nfs/dbraw/zinc/96/49/83/179964983.db2.gz GBUHXWDIMXONMB-ZFWWWQNUSA-N 1 0 272.392 2.373 10 0 CEAERO COC(=O)c1cc(CS[C@@H](C)CC[NH3+])oc1C ZINC000090355034 179974234 /nfs/dbraw/zinc/97/42/34/179974234.db2.gz KXCUEPDZWCWDPO-QMMMGPOBSA-N 1 0 257.355 2.345 10 0 CEAERO CC(C)([NH3+])CSCC(=O)NCCSc1ccccc1 ZINC000090358263 179976276 /nfs/dbraw/zinc/97/62/76/179976276.db2.gz VIKJJMJYSULKNU-UHFFFAOYSA-N 1 0 298.477 2.365 10 0 CEAERO CCn1c([C@@H]2COC[C@H]2[NH3+])nc2cccc(Cl)c21 ZINC000090363817 179977946 /nfs/dbraw/zinc/97/79/46/179977946.db2.gz STGIMOOZOKJDLK-PSASIEDQSA-N 1 0 265.744 2.151 10 0 CEAERO CC[NH2+][C@H]1COC[C@@H]1c1nc2ccc(F)cc2n1CC ZINC000090472741 179989327 /nfs/dbraw/zinc/98/93/27/179989327.db2.gz WHMPPIZQTUXXBS-AAEUAGOBSA-N 1 0 277.343 2.287 10 0 CEAERO CCCCCC[C@H](C)NC(=O)[C@@H]1COC[C@@H]1[NH2+]CC ZINC000090489511 179992415 /nfs/dbraw/zinc/99/24/15/179992415.db2.gz XAXPXYAUGOUXBZ-MJBXVCDLSA-N 1 0 270.417 2.086 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1c1nc2cnccc2n1C(C)C ZINC000090527301 179997800 /nfs/dbraw/zinc/99/78/00/179997800.db2.gz NZWIRSVYQUUPJO-GXTWGEPZSA-N 1 0 288.395 2.494 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccc(C)c(C)c1 ZINC000090539273 180000228 /nfs/dbraw/zinc/00/02/28/180000228.db2.gz JGEDJLMOMRCVGH-HUUCEWRRSA-N 1 0 276.380 2.257 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccccc1Cl ZINC000090538940 180000311 /nfs/dbraw/zinc/00/03/11/180000311.db2.gz ZRACCUJXHICUHP-ZWNOBZJWSA-N 1 0 282.771 2.293 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)NC1CCC(C)(C)CC1 ZINC000090545918 180001123 /nfs/dbraw/zinc/00/11/23/180001123.db2.gz WFJGHVXAGZBJPJ-ZIAGYGMSSA-N 1 0 282.428 2.086 10 0 CEAERO Clc1ccc2nc(CSCC3C[NH2+]C3)cn2c1 ZINC000090712421 180028605 /nfs/dbraw/zinc/02/86/05/180028605.db2.gz SGPBGSUIPIMWIL-UHFFFAOYSA-N 1 0 267.785 2.440 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1CN(CC(F)(F)F)C1CC1 ZINC000090566609 180006795 /nfs/dbraw/zinc/00/67/95/180006795.db2.gz SVJRWAVBXGYITQ-PWSUYJOCSA-N 1 0 280.334 2.028 10 0 CEAERO C[C@]1(c2nc(-c3cccc(Cl)c3)no2)COC[C@@H]1[NH3+] ZINC000090573281 180007789 /nfs/dbraw/zinc/00/77/89/180007789.db2.gz JEQHBEYUJCRTPO-GWCFXTLKSA-N 1 0 279.727 2.005 10 0 CEAERO CCCCc1ccc(NC(=O)[C@@]2(C)COC[C@H]2[NH3+])cc1 ZINC000090582911 180008195 /nfs/dbraw/zinc/00/81/95/180008195.db2.gz ROYLSMDEBDPNJI-ZBFHGGJFSA-N 1 0 276.380 2.332 10 0 CEAERO C[C@]1(C(=O)Nc2ccccc2C(F)(F)F)COC[C@@H]1[NH3+] ZINC000090580299 180008498 /nfs/dbraw/zinc/00/84/98/180008498.db2.gz LLSWDPUZTJBTEQ-JQWIXIFHSA-N 1 0 288.269 2.008 10 0 CEAERO C[C@@]1(C(=O)Nc2cccc(C(F)(F)F)c2)COC[C@H]1[NH3+] ZINC000090580316 180008531 /nfs/dbraw/zinc/00/85/31/180008531.db2.gz WBHOXGSNOZTTIZ-ZYHUDNBSSA-N 1 0 288.269 2.008 10 0 CEAERO C[C@]1(C(=O)Nc2ccc(C(F)(F)F)cc2)COC[C@H]1[NH3+] ZINC000090580569 180008756 /nfs/dbraw/zinc/00/87/56/180008756.db2.gz IGHGYOCLQOOOMQ-PWSUYJOCSA-N 1 0 288.269 2.008 10 0 CEAERO C[C@]1(C(=O)Nc2c(Cl)cccc2Cl)COC[C@@H]1[NH3+] ZINC000090605893 180010904 /nfs/dbraw/zinc/01/09/04/180010904.db2.gz MAQSWXOEALFRCG-CABZTGNLSA-N 1 0 289.162 2.296 10 0 CEAERO COC(C[C@@H](C[NH3+])N(C)Cc1cccc(Cl)c1)OC ZINC000090625116 180015840 /nfs/dbraw/zinc/01/58/40/180015840.db2.gz SDTCIXJEMCOFBH-ZDUSSCGKSA-N 1 0 286.803 2.108 10 0 CEAERO C[NH+]1CCN(CC/C=C/c2ccc(C=O)cc2)CC1 ZINC000090669054 180020200 /nfs/dbraw/zinc/02/02/00/180020200.db2.gz YQPHSAUNPMIAQA-DUXPYHPUSA-N 1 0 258.365 2.150 10 0 CEAERO C[C@H](Oc1ccc(C[NH2+]C2CC2)nn1)C(F)(F)F ZINC000090675408 180022378 /nfs/dbraw/zinc/02/23/78/180022378.db2.gz VTMPJAXSBBFVGP-ZETCQYMHSA-N 1 0 261.247 2.058 10 0 CEAERO COC(=O)c1nc(C)cc(NCCCC[N@H+](C)C(C)C)n1 ZINC000090737918 180034415 /nfs/dbraw/zinc/03/44/15/180034415.db2.gz NSJIWQRJOYKXKP-UHFFFAOYSA-N 1 0 294.399 2.104 10 0 CEAERO CC[NH+](CC)C[C@@H](C)Nc1ccnc(C(=O)OC)c1 ZINC000090737925 180034516 /nfs/dbraw/zinc/03/45/16/180034516.db2.gz HQVCAXNOHXUVBN-LLVKDONJSA-N 1 0 265.357 2.010 10 0 CEAERO CC(C)[NH2+]C[C@H]1CCCN1c1ncncc1Br ZINC000090782584 180039507 /nfs/dbraw/zinc/03/95/07/180039507.db2.gz MIGUNJKVANDETR-SNVBAGLBSA-N 1 0 299.216 2.206 10 0 CEAERO CCOc1cc(N(CCC[NH3+])c2ccccc2)ncn1 ZINC000090784239 180039722 /nfs/dbraw/zinc/03/97/22/180039722.db2.gz ZEOIKDCUEDSONB-UHFFFAOYSA-N 1 0 272.352 2.362 10 0 CEAERO CCC[NH2+]C[C@@H]1CCCN1c1cc(OC(C)C)ncn1 ZINC000090786373 180040538 /nfs/dbraw/zinc/04/05/38/180040538.db2.gz RFWSIKHHADHWEE-ZDUSSCGKSA-N 1 0 278.400 2.232 10 0 CEAERO CCOc1cc(N(CC)CC[NH2+]C(C)C)nc(C)n1 ZINC000090788164 180041498 /nfs/dbraw/zinc/04/14/98/180041498.db2.gz FFHPTPXRHTXGMM-UHFFFAOYSA-N 1 0 266.389 2.008 10 0 CEAERO COc1ncnc(N2CCC[C@@H]2C[NH2+]C(C)(C)C)c1C ZINC000090789038 180041526 /nfs/dbraw/zinc/04/15/26/180041526.db2.gz WCLQUSZRNNNXIP-GFCCVEGCSA-N 1 0 278.400 2.151 10 0 CEAERO CCC[NH+]1CCC(Nc2ncnc(OCC)c2C)CC1 ZINC000090791115 180042887 /nfs/dbraw/zinc/04/28/87/180042887.db2.gz DVNLWXVHZRCFRM-UHFFFAOYSA-N 1 0 278.400 2.470 10 0 CEAERO CCOc1cc(N[C@@H](C)C[NH+]2CCCCC2)nc(C)n1 ZINC000090792148 180042892 /nfs/dbraw/zinc/04/28/92/180042892.db2.gz ZMMOPWXDUBZKKS-LBPRGKRZSA-N 1 0 278.400 2.470 10 0 CEAERO C[C@@H](C[NH2+]C1C2CC3CC(C2)CC1C3)[S@](C)=O ZINC000090842604 180044339 /nfs/dbraw/zinc/04/43/39/180044339.db2.gz XLJJEWTYMWRIMY-APDMSVHZSA-N 1 0 255.427 2.168 10 0 CEAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@]1(O)CCOC1 ZINC000090849501 180045299 /nfs/dbraw/zinc/04/52/99/180045299.db2.gz UKRJYIVGUAPZSH-UMVBOHGHSA-N 1 0 255.402 2.332 10 0 CEAERO CC[NH2+][C@H]1C[C@@H](OC2CCOCC2)C12CCCC2 ZINC000090862587 180047329 /nfs/dbraw/zinc/04/73/29/180047329.db2.gz DSKYOYMSTRKFBZ-UONOGXRCSA-N 1 0 253.386 2.493 10 0 CEAERO [NH3+][C@H]1C[C@@H](OCC2CCOCC2)C12CCCCC2 ZINC000090863591 180047731 /nfs/dbraw/zinc/04/77/31/180047731.db2.gz YLQWFAICHOKFKJ-UONOGXRCSA-N 1 0 253.386 2.480 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1Nc1snc2ccccc21 ZINC000090869472 180049140 /nfs/dbraw/zinc/04/91/40/180049140.db2.gz OZNKHFFXSHBQSP-JLLWLGSASA-N 1 0 263.366 2.213 10 0 CEAERO COCC[NH2+]Cc1cccc(SCC(=O)NC(C)C)c1 ZINC000090873280 180049906 /nfs/dbraw/zinc/04/99/06/180049906.db2.gz ZXJPFHHYZRYARJ-UHFFFAOYSA-N 1 0 296.436 2.039 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1C[C@@H]1Cc2ccccc2O1 ZINC000090875333 180050720 /nfs/dbraw/zinc/05/07/20/180050720.db2.gz QJHVDDRGEXRLGH-CABCVRRESA-N 1 0 260.381 2.064 10 0 CEAERO CC(C)[NH2+]C[C@H]1CCCN1C[C@@H]1Cc2ccccc2O1 ZINC000090875359 180051262 /nfs/dbraw/zinc/05/12/62/180051262.db2.gz JLNLXWXLGQKZPI-CVEARBPZSA-N 1 0 274.408 2.453 10 0 CEAERO CC(C)[N@H+](CCC(N)=S)C[C@H]1Cc2ccccc2O1 ZINC000090874937 180051373 /nfs/dbraw/zinc/05/13/73/180051373.db2.gz SUHNLOHFLWWMIK-CYBMUJFWSA-N 1 0 278.421 2.377 10 0 CEAERO CC[NH2+]Cc1cnn(C[C@H]2Cc3ccccc3O2)c1C ZINC000090877743 180051856 /nfs/dbraw/zinc/05/18/56/180051856.db2.gz NJNAWRVWNUHKNZ-OAHLLOKOSA-N 1 0 271.364 2.305 10 0 CEAERO CCC[NH2+]Cc1cnn(C[C@H]2Cc3ccccc3O2)c1 ZINC000090877765 180052172 /nfs/dbraw/zinc/05/21/72/180052172.db2.gz MMQGESDFIPBQOC-OAHLLOKOSA-N 1 0 271.364 2.386 10 0 CEAERO Fc1ccc2c(c1)C[C@@H](C[NH2+]CC[C@@H]1CCCO1)O2 ZINC000090892296 180053906 /nfs/dbraw/zinc/05/39/06/180053906.db2.gz AYFFDRSKBYBFMH-KBPBESRZSA-N 1 0 265.328 2.288 10 0 CEAERO O[C@H](C[NH2+]C[C@@H]1Cc2cc(F)ccc2O1)c1ccccc1 ZINC000090892133 180053967 /nfs/dbraw/zinc/05/39/67/180053967.db2.gz FACURIIBOPKFBI-JKSUJKDBSA-N 1 0 287.334 2.452 10 0 CEAERO C[C@H](CN1CCCC1)[NH2+]C[C@H]1Cc2cc(F)ccc2O1 ZINC000090892388 180054064 /nfs/dbraw/zinc/05/40/64/180054064.db2.gz SCLHPBYAPPIUIR-IUODEOHRSA-N 1 0 278.371 2.203 10 0 CEAERO Fc1ccc2c(c1)C[C@H](C[NH2+]CCOCC(F)(F)F)O2 ZINC000090892811 180054683 /nfs/dbraw/zinc/05/46/83/180054683.db2.gz CEFOOVGDNNBXRR-LLVKDONJSA-N 1 0 293.260 2.298 10 0 CEAERO Fc1ccc2c(c1)C[C@H](C[NH2+]CCCCn1ccnc1)O2 ZINC000090892599 180055353 /nfs/dbraw/zinc/05/53/53/180055353.db2.gz IPAVJGYDARJFGR-OAHLLOKOSA-N 1 0 289.354 2.396 10 0 CEAERO C[C@]1(C2CC2)C[NH2+]CCN1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090896139 180056713 /nfs/dbraw/zinc/05/67/13/180056713.db2.gz DPHOLGLDDIRTAC-DOTOQJQBSA-N 1 0 290.382 2.203 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](C[NH2+]C[C@@H]1CCCOC1)O2 ZINC000090897497 180056766 /nfs/dbraw/zinc/05/67/66/180056766.db2.gz DHJHANBZTLXCAU-ZFWWWQNUSA-N 1 0 261.365 2.315 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](C[NH2+]CCOCC(F)(F)F)O2 ZINC000090898055 180056782 /nfs/dbraw/zinc/05/67/82/180056782.db2.gz POBACDIECMAEHD-LBPRGKRZSA-N 1 0 289.297 2.467 10 0 CEAERO [NH3+]C[C@]1(C[C@@H]2Cc3cc(F)ccc3O2)CCCC[C@@H]1O ZINC000090896386 180056853 /nfs/dbraw/zinc/05/68/53/180056853.db2.gz DZAYQQWSFBUSPT-CWRNSKLLSA-N 1 0 279.355 2.399 10 0 CEAERO CCN(C[C@@H]1Cc2cc(C)ccc2O1)C(C)(C)C[NH3+] ZINC000090897014 180056964 /nfs/dbraw/zinc/05/69/64/180056964.db2.gz IZAWXWSGOLSVBI-AWEZNQCLSA-N 1 0 262.397 2.358 10 0 CEAERO Cc1ccc2c(c1)C[C@H](COCC1CC[NH2+]CC1)O2 ZINC000090899113 180058275 /nfs/dbraw/zinc/05/82/75/180058275.db2.gz ZOUBRGBFXJKHCL-OAHLLOKOSA-N 1 0 261.365 2.315 10 0 CEAERO CC(C)[N@H+](CCO)C[C@H]1Cc2cc(Cl)ccc2O1 ZINC000090900896 180058611 /nfs/dbraw/zinc/05/86/11/180058611.db2.gz BYLMVLPHGFYUIX-CYBMUJFWSA-N 1 0 269.772 2.346 10 0 CEAERO OC[C@@H]1CCC[N@@H+]1C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090901080 180058929 /nfs/dbraw/zinc/05/89/29/180058929.db2.gz UDKBYYUYLPMZDM-STQMWFEESA-N 1 0 267.756 2.100 10 0 CEAERO C[NH2+]Cc1cnn(C[C@H]2Cc3cc(C)ccc3O2)c1C ZINC000090901913 180059206 /nfs/dbraw/zinc/05/92/06/180059206.db2.gz IIVAUKGOLWLCEY-OAHLLOKOSA-N 1 0 271.364 2.223 10 0 CEAERO C[C@H](O)CC[NH2+]C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090905089 180059883 /nfs/dbraw/zinc/05/98/83/180059883.db2.gz OXQYZZSYRMYZFO-CABZTGNLSA-N 1 0 255.745 2.004 10 0 CEAERO Clc1ccc2c(c1)C[C@H](C[NH2+]CCn1ccnc1)O2 ZINC000090903935 180060076 /nfs/dbraw/zinc/06/00/76/180060076.db2.gz IBSYAZDMUYMRCX-CYBMUJFWSA-N 1 0 277.755 2.130 10 0 CEAERO Cc1cccc2[nH]c(-c3csc(CC[NH3+])n3)nc21 ZINC000090934742 180067292 /nfs/dbraw/zinc/06/72/92/180067292.db2.gz KBQDOQPTFQEFTJ-UHFFFAOYSA-N 1 0 258.350 2.496 10 0 CEAERO CCC[NH2+][C@H](C)CCCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090906100 180060756 /nfs/dbraw/zinc/06/07/56/180060756.db2.gz GHLQKKBMSOXLII-KFWWJZLASA-N 1 0 254.418 2.408 10 0 CEAERO CC1(C)CCC(C[NH3+])(N2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000090905728 180061076 /nfs/dbraw/zinc/06/10/76/180061076.db2.gz VOIPNMZARQDTPM-BETUJISGSA-N 1 0 252.402 2.147 10 0 CEAERO CCc1ccc([C@@H](CN2C[C@H]3CC[C@@H](C2)O3)[NH2+]C)cc1 ZINC000090906063 180061174 /nfs/dbraw/zinc/06/11/74/180061174.db2.gz QVWHHEFCYFMAHR-IXDOHACOSA-N 1 0 274.408 2.373 10 0 CEAERO CCCNc1cc(CN2C[C@H]3CC[C@@H](C2)O3)ccn1 ZINC000090907369 180061341 /nfs/dbraw/zinc/06/13/41/180061341.db2.gz ZMSXECKQOYPYPG-OKILXGFUSA-N 1 0 261.369 2.267 10 0 CEAERO [NH3+][C@@H](CCN1C[C@H]2CC[C@@H](C1)O2)c1ccccc1F ZINC000090907532 180061696 /nfs/dbraw/zinc/06/16/96/180061696.db2.gz HNQHYZWMGFYKOV-ZOWXZIJZSA-N 1 0 264.344 2.079 10 0 CEAERO CC[NH2+]Cc1oc(CN2C[C@H]3CC[C@@H](C2)O3)cc1C ZINC000090907971 180061990 /nfs/dbraw/zinc/06/19/90/180061990.db2.gz ANNOUITUKVFTQC-BETUJISGSA-N 1 0 264.369 2.061 10 0 CEAERO Cc1ccccc1[C@@H]([NH3+])CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000090907553 180062311 /nfs/dbraw/zinc/06/23/11/180062311.db2.gz FPLUPDFRCSWQLG-LZWOXQAQSA-N 1 0 260.381 2.248 10 0 CEAERO CC(C)N(Cc1csc(CC[NH3+])n1)CC(F)(F)F ZINC000090958376 180074521 /nfs/dbraw/zinc/07/45/21/180074521.db2.gz BPNKFPWHZLGRKF-UHFFFAOYSA-N 1 0 281.347 2.417 10 0 CEAERO Nc1ccccc1C[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000090962134 180076150 /nfs/dbraw/zinc/07/61/50/180076150.db2.gz PDNURDIBTNOOEY-NSHDSACASA-N 1 0 287.329 2.243 10 0 CEAERO CN(CCC1CC[NH2+]CC1)C(=O)[C@H]1Cc2ccccc21 ZINC000090983773 180080156 /nfs/dbraw/zinc/08/01/56/180080156.db2.gz JJPDHUVTLUUIFR-INIZCTEOSA-N 1 0 272.392 2.174 10 0 CEAERO CC1CCC(C[NH3+])(NC(=O)[C@H]2Cc3ccccc32)CC1 ZINC000090987199 180080911 /nfs/dbraw/zinc/08/09/11/180080911.db2.gz QVKVFAKNOMEDJN-VXKCQOAXSA-N 1 0 272.392 2.350 10 0 CEAERO CC(C)[NH2+]Cc1cn(CC(=O)N(C)C)c2ccccc12 ZINC000090995515 180082607 /nfs/dbraw/zinc/08/26/07/180082607.db2.gz NQLMWSSUCGWOJO-UHFFFAOYSA-N 1 0 273.380 2.228 10 0 CEAERO CC(C)C[NH2+]Cc1cccn1CC(=O)N1CCCCC1 ZINC000091001958 180083937 /nfs/dbraw/zinc/08/39/37/180083937.db2.gz XJUKARUKINROEO-UHFFFAOYSA-N 1 0 277.412 2.246 10 0 CEAERO CCC[NH2+]Cc1ccn(CC(=O)N[C@@H](C)C(C)C)c1 ZINC000091003413 180083939 /nfs/dbraw/zinc/08/39/39/180083939.db2.gz DEBXPDGVQXOVRU-ZDUSSCGKSA-N 1 0 265.401 2.148 10 0 CEAERO CC(C)C[NH2+]Cc1nccn1CCc1ccncc1 ZINC000091002810 180084059 /nfs/dbraw/zinc/08/40/59/180084059.db2.gz FXHKFTZXFTYNJH-UHFFFAOYSA-N 1 0 258.369 2.266 10 0 CEAERO CCN(CC)C(=O)Cn1ccc(C[NH2+]C(C)(C)C)c1 ZINC000091004221 180084242 /nfs/dbraw/zinc/08/42/42/180084242.db2.gz ILOUVRDXABEFPP-UHFFFAOYSA-N 1 0 265.401 2.245 10 0 CEAERO CCn1ccc(C[NH2+][C@H](CC(C)C)C(=O)N(C)C)c1 ZINC000091010318 180086322 /nfs/dbraw/zinc/08/63/22/180086322.db2.gz FHCXJXIXIKFHTE-CQSZACIVSA-N 1 0 265.401 2.101 10 0 CEAERO CC(C)c1nc(Cn2cc(C[NH3+])c3cccnc32)no1 ZINC000091018755 180086805 /nfs/dbraw/zinc/08/68/05/180086805.db2.gz HBTLNUSKXSDKFW-UHFFFAOYSA-N 1 0 271.324 2.050 10 0 CEAERO Cc1nn(C)c(Cn2cc(C[NH3+])c3cccnc32)c1Cl ZINC000091018766 180087056 /nfs/dbraw/zinc/08/70/56/180087056.db2.gz OTDNZTXDHNDMFF-UHFFFAOYSA-N 1 0 289.770 2.239 10 0 CEAERO CCCCOC(=O)Cn1cc(C[NH2+]CC)c2cccnc21 ZINC000091020049 180087690 /nfs/dbraw/zinc/08/76/90/180087690.db2.gz XHBPKLHYEPVZKB-UHFFFAOYSA-N 1 0 289.379 2.489 10 0 CEAERO CCC[NH2+]Cc1cn(CCCC(=O)OC)c2ncccc12 ZINC000091020330 180088175 /nfs/dbraw/zinc/08/81/75/180088175.db2.gz NQGDXFMOQIHPBL-UHFFFAOYSA-N 1 0 289.379 2.489 10 0 CEAERO CCOCCCn1cc(C[C@H](C)[NH3+])c2cccnc21 ZINC000091021646 180088609 /nfs/dbraw/zinc/08/86/09/180088609.db2.gz VWESQXRFAWKOQO-LBPRGKRZSA-N 1 0 261.369 2.353 10 0 CEAERO [NH3+]CCc1cn(CCc2cccnc2)c2ncccc12 ZINC000091021404 180088716 /nfs/dbraw/zinc/08/87/16/180088716.db2.gz WZGWXRYOEKFSBZ-UHFFFAOYSA-N 1 0 266.348 2.175 10 0 CEAERO CCn1cccc1C[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000091025375 180089661 /nfs/dbraw/zinc/08/96/61/180089661.db2.gz VRQSPVASJCTNBA-LBPRGKRZSA-N 1 0 289.345 2.482 10 0 CEAERO CC[N@H+]([C@H](CN)CC(=O)N1CCCCC1)C1CCCCC1 ZINC000091325105 180135172 /nfs/dbraw/zinc/13/51/72/180135172.db2.gz DVGNQYQMLVRGMI-INIZCTEOSA-N 1 0 295.471 2.371 10 0 CEAERO Cc1ccccc1N[C@@H](C[NH3+])CC(=O)N1CCCCC1 ZINC000091325685 180135209 /nfs/dbraw/zinc/13/52/09/180135209.db2.gz KAFXWXHXNXCVNI-CQSZACIVSA-N 1 0 275.396 2.137 10 0 CEAERO C[C@H](Cc1ccc(Cl)cc1)[NH2+]CC[S@@](C)=O ZINC000091341926 180137021 /nfs/dbraw/zinc/13/70/21/180137021.db2.gz CDRIGOKLYVXFIR-HWPZZCPQSA-N 1 0 259.802 2.239 10 0 CEAERO O=C(Nc1cccc(CO)c1)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091359826 180140277 /nfs/dbraw/zinc/14/02/77/180140277.db2.gz ARZUNBIOJPVPED-BPUTZDHNSA-N 1 0 288.391 2.428 10 0 CEAERO O=C(NCc1ccncc1)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091359222 180140582 /nfs/dbraw/zinc/14/05/82/180140582.db2.gz DEQDEVVMMGCYMJ-KKUMJFAQSA-N 1 0 273.380 2.009 10 0 CEAERO Cc1cc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)no1 ZINC000091358729 180140712 /nfs/dbraw/zinc/14/07/12/180140712.db2.gz CPKAGJIQGYTDBN-SRVKXCTJSA-N 1 0 263.341 2.232 10 0 CEAERO COc1ccccc1[C@@H]([NH3+])CSC[C@H](C)CO ZINC000091261598 180115999 /nfs/dbraw/zinc/11/59/99/180115999.db2.gz GEKRVWGFVHOIFC-PWSUYJOCSA-N 1 0 255.383 2.057 10 0 CEAERO COc1ccc([C@@H]([NH3+])CSC[C@H](C)CO)cc1 ZINC000091261408 180116033 /nfs/dbraw/zinc/11/60/33/180116033.db2.gz MCIGFKDKYYXXLL-MFKMUULPSA-N 1 0 255.383 2.057 10 0 CEAERO CC(C)n1cncc1CN1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000091272996 180117786 /nfs/dbraw/zinc/11/77/86/180117786.db2.gz MNRLCXVVJZNGJS-TZMCWYRMSA-N 1 0 250.390 2.166 10 0 CEAERO CC(C)n1cncc1[C@@H](CO)[NH2+]C1CCCCC1 ZINC000091273833 180117841 /nfs/dbraw/zinc/11/78/41/180117841.db2.gz VGOCDXGNQSPXMY-CYBMUJFWSA-N 1 0 251.374 2.420 10 0 CEAERO C[NH2+]C[C@H]1CCCN(C2CC2)[C@@H]1c1cncn1C1CC1 ZINC000091275395 180118499 /nfs/dbraw/zinc/11/84/99/180118499.db2.gz XOJRNUBQUGKHFJ-WBMJQRKESA-N 1 0 274.412 2.353 10 0 CEAERO c1ncn(C2CC2)c1CN1CC[NH2+]CC12CCCCC2 ZINC000091277096 180120464 /nfs/dbraw/zinc/12/04/64/180120464.db2.gz MIXPKPBRLFADEH-UHFFFAOYSA-N 1 0 274.412 2.326 10 0 CEAERO O[C@H](c1cncn1C1CC1)[C@H]1[NH2+]Cc2ccccc21 ZINC000091277438 180120469 /nfs/dbraw/zinc/12/04/69/180120469.db2.gz OYVGVQQWKVKDTA-LSDHHAIUSA-N 1 0 255.321 2.096 10 0 CEAERO CC[C@H](NC(=O)C[C@H]1CSCC[NH2+]1)c1cccs1 ZINC000091290504 180121753 /nfs/dbraw/zinc/12/17/53/180121753.db2.gz UZJSHLVYMHWQEM-QWRGUYRKSA-N 1 0 284.450 2.411 10 0 CEAERO Cc1ccccc1N(C)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000091290793 180122355 /nfs/dbraw/zinc/12/23/55/180122355.db2.gz OMLATVAGNQRNKP-GFCCVEGCSA-N 1 0 264.394 2.053 10 0 CEAERO CN(CC[C@@H]1CSCC[NH2+]1)c1cccc(F)c1 ZINC000091292235 180123895 /nfs/dbraw/zinc/12/38/95/180123895.db2.gz AISFAQVAGAPPAH-GFCCVEGCSA-N 1 0 254.374 2.357 10 0 CEAERO FC(F)(F)Cn1c(C[C@H]2C[NH2+]CCO2)nc2ccccc21 ZINC000091293364 180124232 /nfs/dbraw/zinc/12/42/32/180124232.db2.gz VUQPRLJHDIHTQV-JTQLQIEISA-N 1 0 299.296 2.130 10 0 CEAERO C[NH2+]Cc1cncc(Oc2ccc(C)cc2OC)n1 ZINC000091434026 180154196 /nfs/dbraw/zinc/15/41/96/180154196.db2.gz COLHIWJEEALWBT-UHFFFAOYSA-N 1 0 259.309 2.305 10 0 CEAERO C[NH2+]Cc1cncc(Oc2cc(OC)cc(OC)c2)n1 ZINC000091434002 180154709 /nfs/dbraw/zinc/15/47/09/180154709.db2.gz NTFYSOVBAJXPQI-UHFFFAOYSA-N 1 0 275.308 2.006 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(Cl)n1 ZINC000091439547 180156186 /nfs/dbraw/zinc/15/61/86/180156186.db2.gz VGBKJEXMSUOCBC-WCQYABFASA-N 1 0 265.788 2.404 10 0 CEAERO CN(CC1CC(O)C1)C(=O)CC[C@H](CC[NH3+])C(C)(C)C ZINC000091450675 180158129 /nfs/dbraw/zinc/15/81/29/180158129.db2.gz ZNHRSXHOPJHXBH-ROKHWSDSSA-N 1 0 284.444 2.007 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1cccc(OC)c1)N(C)CC1CC(O)C1 ZINC000091450856 180158675 /nfs/dbraw/zinc/15/86/75/180158675.db2.gz JOUOJFUBRJUGDU-MPCAOIJTSA-N 1 0 292.423 2.176 10 0 CEAERO CN(CC1CC(O)C1)[C@H](C[NH3+])c1ccccc1Cl ZINC000091460402 180161384 /nfs/dbraw/zinc/16/13/84/180161384.db2.gz ASFQQBVZTOQDFB-QIMFLAQGSA-N 1 0 268.788 2.043 10 0 CEAERO CN(CC1CC(O)C1)c1cc(Br)ccc1C[NH3+] ZINC000091461419 180161522 /nfs/dbraw/zinc/16/15/22/180161522.db2.gz HBXYWIQLWFSFGI-UHFFFAOYSA-N 1 0 299.212 2.115 10 0 CEAERO C[N@@H+](Cc1ccc(N)c2cccnc12)CC1CC(O)C1 ZINC000091462820 180162578 /nfs/dbraw/zinc/16/25/78/180162578.db2.gz MVUMBQRTUJANBA-UHFFFAOYSA-N 1 0 271.364 2.020 10 0 CEAERO Cc1ccc([C@@H]([C@H](C)N)[N@H+](C)CC2CC(O)C2)cc1 ZINC000091464197 180163050 /nfs/dbraw/zinc/16/30/50/180163050.db2.gz HMVHNTAXYSBWTJ-ADNDVJRGSA-N 1 0 262.397 2.086 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1cccc(C)c1)N(C)CC1CC(O)C1 ZINC000091464204 180163201 /nfs/dbraw/zinc/16/32/01/180163201.db2.gz SJWKHCYPBDMPTG-OKEQZYBDSA-N 1 0 276.424 2.476 10 0 CEAERO CCn1nc(C)c(Cl)c1C[C@H](O)C[NH2+]CC(C)C ZINC000091465972 180163765 /nfs/dbraw/zinc/16/37/65/180163765.db2.gz CEVNLJMIRGWGSO-NSHDSACASA-N 1 0 273.808 2.014 10 0 CEAERO CCCO[C@@H]1CCC[N@H+](CCC2OCCCO2)C1 ZINC000091465589 180163965 /nfs/dbraw/zinc/16/39/65/180163965.db2.gz ZTUJOBCKUBAQDT-CYBMUJFWSA-N 1 0 257.374 2.031 10 0 CEAERO CCn1nc(C)c(Cl)c1C[C@H](O)C[NH2+]C(C)(C)C ZINC000091466990 180164121 /nfs/dbraw/zinc/16/41/21/180164121.db2.gz YJSOSXKCRPBNJW-JTQLQIEISA-N 1 0 273.808 2.156 10 0 CEAERO CC[NH2+]C[C@@H](O)Cc1ccc(OC(F)(F)F)cc1 ZINC000091470521 180164688 /nfs/dbraw/zinc/16/46/88/180164688.db2.gz JCYAUZZLZLUGJG-JTQLQIEISA-N 1 0 263.259 2.098 10 0 CEAERO CCC[NH2+]C[C@@H](O)Cc1c(Cl)c(CC)nn1CC ZINC000091469790 180164940 /nfs/dbraw/zinc/16/49/40/180164940.db2.gz QKGWZRDLUQHVSV-JTQLQIEISA-N 1 0 273.808 2.022 10 0 CEAERO CN(CC1CC([NH3+])C1)C(=O)c1ccccc1OC(F)F ZINC000091472317 180165211 /nfs/dbraw/zinc/16/52/11/180165211.db2.gz MQVFPHWAMAQUIX-UHFFFAOYSA-N 1 0 284.306 2.097 10 0 CEAERO CSC1(C(N)=S)CC[NH+](CCc2ccncc2)CC1 ZINC000091478090 180166275 /nfs/dbraw/zinc/16/62/75/180166275.db2.gz UIWDQWSKNZLSHJ-UHFFFAOYSA-N 1 0 295.477 2.108 10 0 CEAERO [NH3+]CC1CN(C(=O)Nc2cccc3ccccc32)C1 ZINC000091488801 180168445 /nfs/dbraw/zinc/16/84/45/180168445.db2.gz NMDLYEOQUYVYTD-UHFFFAOYSA-N 1 0 255.321 2.262 10 0 CEAERO C[C@@H]1CCC[C@H](C[NH3+])N1C(=O)C1C(C)(C)C1(C)C ZINC000091492754 180170602 /nfs/dbraw/zinc/17/06/02/180170602.db2.gz ZBMJBUPZNAPYRH-GHMZBOCLSA-N 1 0 252.402 2.397 10 0 CEAERO Cc1ncccc1NC(=O)c1ccc(CC[NH3+])cc1 ZINC000091497123 180172435 /nfs/dbraw/zinc/17/24/35/180172435.db2.gz JRZOZBCYRJKBBW-UHFFFAOYSA-N 1 0 255.321 2.144 10 0 CEAERO Cc1ccc(C[C@H]([NH3+])c2ccc3c(c2)OCCO3)nc1 ZINC000091385296 180144070 /nfs/dbraw/zinc/14/40/70/180144070.db2.gz GDJMVRYXIFBGRO-AWEZNQCLSA-N 1 0 270.332 2.404 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(N)c(Cl)c2)C1 ZINC000091392637 180144854 /nfs/dbraw/zinc/14/48/54/180144854.db2.gz INRZMYZYDDQPHK-LLVKDONJSA-N 1 0 281.787 2.088 10 0 CEAERO CCOC(=O)c1ccc(NC2C[NH2+]C2)c(Br)c1 ZINC000091392999 180145743 /nfs/dbraw/zinc/14/57/43/180145743.db2.gz ODNKHVFRDCSMMQ-UHFFFAOYSA-N 1 0 299.168 2.010 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+]C2CC(O)C2)C12CCCCC2 ZINC000091423775 180151409 /nfs/dbraw/zinc/15/14/09/180151409.db2.gz NRHHFJCZRUVWGW-PQAZSJQKSA-N 1 0 253.386 2.227 10 0 CEAERO COc1ccc([C@@H](C)[NH2+]CC2CC(O)C2)cc1F ZINC000091423392 180151535 /nfs/dbraw/zinc/15/15/35/180151535.db2.gz RIVJDXHVQHBRHO-GRZMOONWSA-N 1 0 253.317 2.256 10 0 CEAERO c1sc([C@@H]2C[NH2+]CCO2)nc1-c1ccc2c(c1)OCO2 ZINC000091500818 180174834 /nfs/dbraw/zinc/17/48/34/180174834.db2.gz DZCKPFRJSHAWKN-ZDUSSCGKSA-N 1 0 290.344 2.200 10 0 CEAERO CCN1C(=O)C[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2)C1=O ZINC000105083265 186040553 /nfs/dbraw/zinc/04/05/53/186040553.db2.gz LDPITODWAAJHDC-SKDRFNHKSA-N 1 0 280.755 2.138 10 0 CEAERO CC(C)([C@@H](O)Cc1ccc(Cl)cc1)[NH+]1CCOCC1 ZINC000091565773 180193228 /nfs/dbraw/zinc/19/32/28/180193228.db2.gz RNXDIJOMMWGMHT-AWEZNQCLSA-N 1 0 283.799 2.354 10 0 CEAERO CC[NH2+][C@H](Cc1ccnc(N)c1)C(C)(C)N1CCCCC1 ZINC000091565071 180193477 /nfs/dbraw/zinc/19/34/77/180193477.db2.gz UPUIZLWKTYJOKU-OAHLLOKOSA-N 1 0 290.455 2.449 10 0 CEAERO CC(C)([C@@H]([NH3+])c1cccc(Cl)c1)N1CCOCC1 ZINC000091566240 180193963 /nfs/dbraw/zinc/19/39/63/180193963.db2.gz LQZHUGJSOPTLDB-ZDUSSCGKSA-N 1 0 268.788 2.451 10 0 CEAERO C[NH2+][C@@H](C[C@H]1Cc2ccccc21)C(C)(C)N1CCOCC1 ZINC000091566511 180194019 /nfs/dbraw/zinc/19/40/19/180194019.db2.gz LTPSEZISYLFZLZ-WBVHZDCISA-N 1 0 288.435 2.415 10 0 CEAERO Cc1cc([C@@H]([NH3+])C(C)(C)N2CCOCC2)ccc1F ZINC000091566097 180194186 /nfs/dbraw/zinc/19/41/86/180194186.db2.gz QHFXUZNKAADMDH-CQSZACIVSA-N 1 0 266.360 2.245 10 0 CEAERO C[NH2+][C@H](Cc1ccccc1F)C(C)(C)N1CCOCC1 ZINC000091566425 180194261 /nfs/dbraw/zinc/19/42/61/180194261.db2.gz GCJYRZGZGIGPJZ-OAHLLOKOSA-N 1 0 280.387 2.067 10 0 CEAERO CC[NH2+][C@H](CCC[C@@H]1CCCO1)C(C)(C)N1CCOCC1 ZINC000091567023 180194596 /nfs/dbraw/zinc/19/45/96/180194596.db2.gz MSGHQIUIPYZUNZ-HZPDHXFCSA-N 1 0 298.471 2.425 10 0 CEAERO CC[NH2+][C@H](CCC1CC1)C(C)(C)N1CCOCC1 ZINC000091566947 180194952 /nfs/dbraw/zinc/19/49/52/180194952.db2.gz OWKXVBVATAXRDN-CQSZACIVSA-N 1 0 254.418 2.266 10 0 CEAERO CC[NH2+][C@@H](Cc1ccsc1)C(C)(C)N1CCOCC1 ZINC000091566918 180195006 /nfs/dbraw/zinc/19/50/06/180195006.db2.gz RKOXHIITJZVYCL-AWEZNQCLSA-N 1 0 282.453 2.380 10 0 CEAERO C[NH2+][C@@H](CCC(F)(F)F)C(C)(C)N1CCOCC1 ZINC000091566745 180195114 /nfs/dbraw/zinc/19/51/14/180195114.db2.gz PHIURXIAHVKWGY-JTQLQIEISA-N 1 0 268.323 2.028 10 0 CEAERO CC[NH2+][C@@H](c1ccnn1CC)[C@](C)(CC)N(C)C ZINC000091571050 180195527 /nfs/dbraw/zinc/19/55/27/180195527.db2.gz XCODAOCTKQNOOT-KBPBESRZSA-N 1 0 252.406 2.284 10 0 CEAERO CCc1nn(C)c(C[C@H](N)[C@@](C)(CC)[NH+](C)C)c1Cl ZINC000091569784 180195897 /nfs/dbraw/zinc/19/58/97/180195897.db2.gz RUMSPCWBHPXYBE-GXTWGEPZSA-N 1 0 286.851 2.236 10 0 CEAERO CCN[C@@H](c1nccn1CC)[C@@](C)(CC)[NH+](C)C ZINC000091571475 180196522 /nfs/dbraw/zinc/19/65/22/180196522.db2.gz LOPGYFKQMSQKKV-GXTWGEPZSA-N 1 0 252.406 2.284 10 0 CEAERO CCc1cc(C[C@@H](N)[C@](C)(CC)[NH+](CC)CC)n(C)n1 ZINC000091573875 180196530 /nfs/dbraw/zinc/19/65/30/180196530.db2.gz IKYQQAGCYKWXHS-CVEARBPZSA-N 1 0 280.460 2.363 10 0 CEAERO CCCc1nn(C)c(NCC[NH+]2CCC(C)CC2)c1N ZINC000091579079 180198389 /nfs/dbraw/zinc/19/83/89/180198389.db2.gz RDPSRNFLAACBLH-UHFFFAOYSA-N 1 0 279.432 2.099 10 0 CEAERO CCCc1nn(C)c(NC[C@@H]2CC[N@@H+](C(C)C)C2)c1N ZINC000091584252 180199499 /nfs/dbraw/zinc/19/94/99/180199499.db2.gz IODCLUQIPGYZOH-LBPRGKRZSA-N 1 0 279.432 2.097 10 0 CEAERO CC[C@](C)([C@@H](O)c1cc(C)cnc1N)[NH+]1CCCC1 ZINC000091603714 180202974 /nfs/dbraw/zinc/20/29/74/180202974.db2.gz LRARUJLREUEGJH-DZGCQCFKSA-N 1 0 263.385 2.270 10 0 CEAERO CC[C@@](C)([C@@H](O)Cc1ncnn1C(C)C)[NH+]1CCCC1 ZINC000091602845 180203394 /nfs/dbraw/zinc/20/33/94/180203394.db2.gz DVDYEKGQJRYTQY-ZFWWWQNUSA-N 1 0 280.416 2.027 10 0 CEAERO CC[NH2+][C@H](Cc1cnn(C)c1)[C@@](C)(CC)N1CCCC1 ZINC000091607222 180204342 /nfs/dbraw/zinc/20/43/42/180204342.db2.gz AHMMOUVSAHXLAD-HZPDHXFCSA-N 1 0 278.444 2.205 10 0 CEAERO CC[C@](C)([C@H](Cc1cnn(C)c1)[NH2+]C)N1CCCCC1 ZINC000091609700 180205108 /nfs/dbraw/zinc/20/51/08/180205108.db2.gz RIIBHZPKSFRXFL-JKSUJKDBSA-N 1 0 278.444 2.205 10 0 CEAERO CC[C@@](C)([C@@H](Cc1cnn(C)c1)[NH2+]C)N1CCCCC1 ZINC000091609697 180205567 /nfs/dbraw/zinc/20/55/67/180205567.db2.gz RIIBHZPKSFRXFL-CVEARBPZSA-N 1 0 278.444 2.205 10 0 CEAERO CC[C@@](C)([C@H](N)c1nccn1C)[NH+]1CCCCC1 ZINC000091609133 180205902 /nfs/dbraw/zinc/20/59/02/180205902.db2.gz QWUNEDFWGWAVLM-OCCSQVGLSA-N 1 0 250.390 2.075 10 0 CEAERO CC[C@@](C)([C@H]([NH3+])c1ccc(OC)cc1)N1CCOCC1 ZINC000091611569 180206620 /nfs/dbraw/zinc/20/66/20/180206620.db2.gz ONNJOPJSLNTXJC-CVEARBPZSA-N 1 0 278.396 2.196 10 0 CEAERO CC[C@](C)([C@@H](O)Cc1ccccc1C)[NH+]1CCOCC1 ZINC000091611272 180206649 /nfs/dbraw/zinc/20/66/49/180206649.db2.gz YGGPNNZQRBALMO-DLBZAZTESA-N 1 0 277.408 2.399 10 0 CEAERO CC[C@@](C)([C@H](O)c1cccs1)[NH+]1CCOCC1 ZINC000091611053 180206816 /nfs/dbraw/zinc/20/68/16/180206816.db2.gz QIUHKZLCQLZPEF-OLZOCXBDSA-N 1 0 255.383 2.282 10 0 CEAERO CC[C@](C)([C@H]([NH3+])Cc1ccncc1Cl)N1CCOCC1 ZINC000091611710 180206848 /nfs/dbraw/zinc/20/68/48/180206848.db2.gz UNTZEHVBRVDCGL-HUUCEWRRSA-N 1 0 297.830 2.106 10 0 CEAERO CC[NH2+][C@H](CC1CCOCC1)[C@@](C)(CC)N1CCOCC1 ZINC000091612798 180207123 /nfs/dbraw/zinc/20/71/23/180207123.db2.gz DNTNBNSRCBXAIQ-IAGOWNOFSA-N 1 0 298.471 2.282 10 0 CEAERO CC[C@@](C)([C@H]([NH2+]C)c1cnccc1C)N1CCOCC1 ZINC000091612601 180207431 /nfs/dbraw/zinc/20/74/31/180207431.db2.gz IRFVFBCRHZYPMD-CVEARBPZSA-N 1 0 277.412 2.151 10 0 CEAERO CCn1nc(C)cc1C[C@H](O)C(CC)(CC)[NH+](C)C ZINC000091613486 180208303 /nfs/dbraw/zinc/20/83/03/180208303.db2.gz CQVHCTCIDLJARH-AWEZNQCLSA-N 1 0 267.417 2.235 10 0 CEAERO CC(C)c1ccc(-c2noc(C[C@](C)(O)C[NH3+])n2)cc1 ZINC000091523653 180177937 /nfs/dbraw/zinc/17/79/37/180177937.db2.gz ROIJZYGNIQGDDJ-HNNXBMFYSA-N 1 0 275.352 2.112 10 0 CEAERO COCC[NH2+]CC[C@@](C)(O)CCc1ccc(OC)cc1 ZINC000091523098 180178144 /nfs/dbraw/zinc/17/81/44/180178144.db2.gz YWWYVWGNPOBULY-INIZCTEOSA-N 1 0 281.396 2.005 10 0 CEAERO CCCn1ccnc1[C@@](C)(O)CC[NH2+]C(C)(C)C ZINC000091519800 180178227 /nfs/dbraw/zinc/17/82/27/180178227.db2.gz IGTKUFDMASJXLV-AWEZNQCLSA-N 1 0 253.390 2.279 10 0 CEAERO CCc1cc2c(ncnc2NCC2CC([NH3+])C2)s1 ZINC000091525271 180178610 /nfs/dbraw/zinc/17/86/10/180178610.db2.gz GHOBWRRTEGKGJF-UHFFFAOYSA-N 1 0 262.382 2.403 10 0 CEAERO C[C@@H]([NH2+]CC1CC(O)C1)c1ccc2c(c1)OCCCO2 ZINC000091525451 180179000 /nfs/dbraw/zinc/17/90/00/180179000.db2.gz RAUVGHWJMMLIPE-LKSINWNRSA-N 1 0 277.364 2.269 10 0 CEAERO C[NH+](C)C(C)(C)[C@H](N)Cc1ccc2ccccc2n1 ZINC000091528395 180179751 /nfs/dbraw/zinc/17/97/51/180179751.db2.gz MTGFCJRMECJSAK-OAHLLOKOSA-N 1 0 257.381 2.445 10 0 CEAERO CC[C@@H](C)n1ccc(C[C@H](O)C(C)(C)[NH+](C)C)n1 ZINC000091528195 180179907 /nfs/dbraw/zinc/17/99/07/180179907.db2.gz AZFJNLAJCQMKHV-YPMHNXCESA-N 1 0 253.390 2.098 10 0 CEAERO CCCn1cc([C@H](N)C(C)(C)[NH+](CC)CC)cn1 ZINC000091530536 180180577 /nfs/dbraw/zinc/18/05/77/180180577.db2.gz XUICCSRAQQGHJP-ZDUSSCGKSA-N 1 0 252.406 2.413 10 0 CEAERO CCCn1nccc1[C@H](O)C(C)(C)[NH+](CC)CC ZINC000091530112 180180814 /nfs/dbraw/zinc/18/08/14/180180814.db2.gz OCTSHLQPSDSRPR-ZDUSSCGKSA-N 1 0 253.390 2.447 10 0 CEAERO CCC[NH2+][C@H](c1c(C)ccnc1N)C(C)(C)N(C)C ZINC000091529343 180180901 /nfs/dbraw/zinc/18/09/01/180180901.db2.gz KGSWXOKCXQHBEA-CYBMUJFWSA-N 1 0 264.417 2.353 10 0 CEAERO CCCn1nccc1[C@@H]([NH2+]C)C(C)(C)N1CCCC1 ZINC000091534520 180181492 /nfs/dbraw/zinc/18/14/92/180181492.db2.gz SUFZJQZUDDBKFZ-CQSZACIVSA-N 1 0 264.417 2.428 10 0 CEAERO CCCn1cc([C@H](N)C(C)(C)[NH+]2CCCC2)cn1 ZINC000091534123 180181695 /nfs/dbraw/zinc/18/16/95/180181695.db2.gz XZFDQQKIKRFVMO-ZDUSSCGKSA-N 1 0 250.390 2.167 10 0 CEAERO CC[NH2+][C@@H](Cc1cc(C)nn1C)C(C)(C)N1CCCC1 ZINC000091535605 180182463 /nfs/dbraw/zinc/18/24/63/180182463.db2.gz TURLUKXJFHENFY-HNNXBMFYSA-N 1 0 278.444 2.124 10 0 CEAERO CCC1CCC(CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091546378 180186916 /nfs/dbraw/zinc/18/69/16/180186916.db2.gz YQXIBMNFYGVFSI-PQAZSJQKSA-N 1 0 252.402 2.446 10 0 CEAERO [NH3+][C@H]1CC[C@@H](C(=O)Nc2cc(F)c(F)cc2F)C1 ZINC000091546035 180187111 /nfs/dbraw/zinc/18/71/11/180187111.db2.gz CYKSKSSEGZDYPJ-RQJHMYQMSA-N 1 0 258.243 2.170 10 0 CEAERO CC(C)OC(=O)c1ccc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000091546619 180187170 /nfs/dbraw/zinc/18/71/70/180187170.db2.gz OSBHMDZGGCITAT-QWHCGFSZSA-N 1 0 290.363 2.318 10 0 CEAERO CC(C)C(=O)Nc1cccc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)c1 ZINC000091548099 180187589 /nfs/dbraw/zinc/18/75/89/180187589.db2.gz JBHGTCZVPXRECI-VXGBXAGGSA-N 1 0 289.379 2.347 10 0 CEAERO COc1c(C)cnc(C[C@H](O)C2([NH+](C)C)CCCC2)c1C ZINC000091636396 180210931 /nfs/dbraw/zinc/21/09/31/180210931.db2.gz UZZUQFRJVCXQGU-HNNXBMFYSA-N 1 0 292.423 2.485 10 0 CEAERO CCCn1cc([C@@H](O)C2([NH+](C)C)CCCC2)cn1 ZINC000091636869 180210967 /nfs/dbraw/zinc/21/09/67/180210967.db2.gz KIMSMIZEXUMGRO-CYBMUJFWSA-N 1 0 251.374 2.201 10 0 CEAERO CCn1cc([C@H]([NH2+]C)C2(N(C)C)CCCC2)cn1 ZINC000091637803 180212019 /nfs/dbraw/zinc/21/20/19/180212019.db2.gz SXMRGHPWQBRUQI-ZDUSSCGKSA-N 1 0 250.390 2.038 10 0 CEAERO CCN(CC)C1([C@H](Cc2ncnn2CC)[NH2+]C)CCCC1 ZINC000091639661 180212486 /nfs/dbraw/zinc/21/24/86/180212486.db2.gz GWOJJALIZJZFDI-AWEZNQCLSA-N 1 0 293.459 2.083 10 0 CEAERO CCn1ccnc1[C@@H](NC)C1([NH+](C)C)CCCC1 ZINC000091637784 180212703 /nfs/dbraw/zinc/21/27/03/180212703.db2.gz RSTDZMSJICDFGB-GFCCVEGCSA-N 1 0 250.390 2.038 10 0 CEAERO CCn1nc(C)cc1C[C@@H](N)C1([NH+](C)C)CCCCC1 ZINC000091647207 180215256 /nfs/dbraw/zinc/21/52/56/180215256.db2.gz HYYNMCKATSCCHH-OAHLLOKOSA-N 1 0 278.444 2.346 10 0 CEAERO CCCn1ncnc1C[C@H]([NH2+]C)C1(N(C)C)CCCCC1 ZINC000091647646 180215796 /nfs/dbraw/zinc/21/57/96/180215796.db2.gz INHMRRKPXGKOIU-AWEZNQCLSA-N 1 0 293.459 2.083 10 0 CEAERO CC(C)n1ncnc1C[C@H](N)C1([NH+](C)C)CCC(C)CC1 ZINC000091649018 180216191 /nfs/dbraw/zinc/21/61/91/180216191.db2.gz MZWNPQBYUFLQQL-BBBYJDLNSA-N 1 0 293.459 2.239 10 0 CEAERO C[NH2+][C@H](c1cnccn1)C1(N(C)C)CCC(C)CC1 ZINC000091649087 180216320 /nfs/dbraw/zinc/21/63/20/180216320.db2.gz AKAZUWIJKOTUAF-HNFVBEJKSA-N 1 0 262.401 2.248 10 0 CEAERO Cc1cnc(Cl)nc1N[C@H](C)C[NH+]1CCCC1 ZINC000091658460 180218934 /nfs/dbraw/zinc/21/89/34/180218934.db2.gz VITSEQDLIQKIDJ-SNVBAGLBSA-N 1 0 254.765 2.335 10 0 CEAERO Cc1cc2c(n1C[C@@H]1CN(C)CCO1)CC(C)(C)C[C@@H]2[NH3+] ZINC000091679126 180225200 /nfs/dbraw/zinc/22/52/00/180225200.db2.gz FUDAYPGHCYZUEK-ZFWWWQNUSA-N 1 0 291.439 2.099 10 0 CEAERO CCn1nc(C)cc1CC(=O)CC[NH+](CC)CC ZINC000091687964 180226757 /nfs/dbraw/zinc/22/67/57/180226757.db2.gz FCQABWFPGSFRSB-UHFFFAOYSA-N 1 0 251.374 2.055 10 0 CEAERO C[C@@H](Cc1cncs1)N1CC2(CC[NH2+]CC2)CCC1=O ZINC000091706898 180230081 /nfs/dbraw/zinc/23/00/81/180230081.db2.gz SBVJBAGNUBHBES-LBPRGKRZSA-N 1 0 293.436 2.066 10 0 CEAERO CCC[NH2+][C@H](CC(C)C)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091722073 180239551 /nfs/dbraw/zinc/23/95/51/180239551.db2.gz FKGKRYILLBQLHU-KFWWJZLASA-N 1 0 254.418 2.264 10 0 CEAERO CN1CCO[C@H]([C@@H]([NH3+])c2ccc(C(C)(C)C)cc2)C1 ZINC000091717068 180232176 /nfs/dbraw/zinc/23/21/76/180232176.db2.gz SPSDJVYGSVJFIM-GJZGRUSLSA-N 1 0 262.397 2.315 10 0 CEAERO O[C@H](Cc1ccc(F)cc1Cl)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091715551 180232298 /nfs/dbraw/zinc/23/22/98/180232298.db2.gz POXQJASXHASHEJ-YUELXQCFSA-N 1 0 299.773 2.246 10 0 CEAERO CCCn1nccc1[C@@H](CC[NH+](CC)CC)NC ZINC000091716122 180232403 /nfs/dbraw/zinc/23/24/03/180232403.db2.gz GECQUXLCIICFRB-CYBMUJFWSA-N 1 0 252.406 2.286 10 0 CEAERO CCC[NH2+][C@@H](Cc1cccc(F)c1F)[C@@H]1CN(C)CCO1 ZINC000091718978 180233729 /nfs/dbraw/zinc/23/37/29/180233729.db2.gz GGLITWFWVWCVBW-GJZGRUSLSA-N 1 0 298.377 2.206 10 0 CEAERO CCC[NH2+][C@@H](CCc1cccs1)[C@@H]1CN(C)CCO1 ZINC000091719142 180234174 /nfs/dbraw/zinc/23/41/74/180234174.db2.gz JJPOGGCYVNXDEY-GJZGRUSLSA-N 1 0 282.453 2.380 10 0 CEAERO CCC[NH2+][C@@H](Cc1cc(F)ccc1F)[C@H]1CN(C)CCO1 ZINC000091719272 180234330 /nfs/dbraw/zinc/23/43/30/180234330.db2.gz JIMFEDLILWEPCI-JKSUJKDBSA-N 1 0 298.377 2.206 10 0 CEAERO CCC[NH2+][C@H](c1ccc(OCC)cc1)[C@@H]1CN(C)CCO1 ZINC000091719087 180234480 /nfs/dbraw/zinc/23/44/80/180234480.db2.gz LXOPXURFXIYDOU-DLBZAZTESA-N 1 0 292.423 2.457 10 0 CEAERO CCC[NH2+][C@H](Cc1ccc(F)cc1)[C@H]1CN(C)CCO1 ZINC000091719361 180234652 /nfs/dbraw/zinc/23/46/52/180234652.db2.gz YINLFGNXYHABOM-HZPDHXFCSA-N 1 0 280.387 2.067 10 0 CEAERO CCCOc1ccc([C@H](C)[NH2+][C@H]2CCOC[C@H]2O)cc1 ZINC000624236155 350239187 /nfs/dbraw/zinc/23/91/87/350239187.db2.gz XGXFRVPLUDJBEU-VBNZEHGJSA-N 1 0 279.380 2.276 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1ccc2c(c1)CCCC2 ZINC000624235833 350239781 /nfs/dbraw/zinc/23/97/81/350239781.db2.gz QDEAGMYFTFKKIF-VUCTXSBTSA-N 1 0 275.392 2.366 10 0 CEAERO C[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1csc(Cl)c1 ZINC000624238220 350241147 /nfs/dbraw/zinc/24/11/47/350241147.db2.gz MNDZCLGACUIIGS-UJNFCWOMSA-N 1 0 261.774 2.202 10 0 CEAERO CCc1ccc(C[C@H]([NH2+]C)[C@@H]2CN3CCC[C@@H]3CO2)s1 ZINC000091721368 180238029 /nfs/dbraw/zinc/23/80/29/180238029.db2.gz BHRYCJYYNDIONM-KCXAZCMYSA-N 1 0 294.464 2.304 10 0 CEAERO CCc1ccc(C(=O)Nc2ccc(OCC[NH3+])cc2)o1 ZINC000091759190 180247293 /nfs/dbraw/zinc/24/72/93/180247293.db2.gz OHUFXSZYOMMWLB-UHFFFAOYSA-N 1 0 274.320 2.432 10 0 CEAERO CCc1ccc(C(=O)N2CCC[C@H]2[C@H]2CCC[NH2+]2)o1 ZINC000091762537 180248213 /nfs/dbraw/zinc/24/82/13/180248213.db2.gz GGMAEVUZMYECLX-OLZOCXBDSA-N 1 0 262.353 2.199 10 0 CEAERO COC(=O)c1ccc([C@H](C)SC[C@@H](C)C[NH3+])o1 ZINC000091779569 180251809 /nfs/dbraw/zinc/25/18/09/180251809.db2.gz DSGVXBSRPSTCRL-IUCAKERBSA-N 1 0 257.355 2.455 10 0 CEAERO Cc1nn(C)c(Cn2cccc2[C@H](C)[NH3+])c1Br ZINC000091800126 180258754 /nfs/dbraw/zinc/25/87/54/180258754.db2.gz QDSTYNPWZYWFQI-QMMMGPOBSA-N 1 0 297.200 2.361 10 0 CEAERO CC[NH2+][C@H](CCC1CC1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721851 180240886 /nfs/dbraw/zinc/24/08/86/180240886.db2.gz OVHPNZUILQHEAW-RBSFLKMASA-N 1 0 252.402 2.018 10 0 CEAERO CCC[NH2+][C@H](CC1CC1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091722215 180241056 /nfs/dbraw/zinc/24/10/56/180241056.db2.gz ACNVLNUHVYWUAP-RBSFLKMASA-N 1 0 252.402 2.018 10 0 CEAERO CN1CCO[C@@H](c2nc(-c3cccc(C[NH3+])c3)cs2)C1 ZINC000091723970 180242277 /nfs/dbraw/zinc/24/22/77/180242277.db2.gz BXNUNOSZALPJIG-CQSZACIVSA-N 1 0 289.404 2.272 10 0 CEAERO CCc1oc2ccccc2c1C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000105471611 186059289 /nfs/dbraw/zinc/05/92/89/186059289.db2.gz JDIDDXPPTHKCBQ-CYBMUJFWSA-N 1 0 288.391 2.415 10 0 CEAERO CCC(CC)NC(=O)Cn1ccc([C@@H](C)[NH2+]C)c1 ZINC000091804622 180259746 /nfs/dbraw/zinc/25/97/46/180259746.db2.gz XLCSPXDLIUQIIF-LLVKDONJSA-N 1 0 251.374 2.073 10 0 CEAERO C[C@@H]([NH3+])c1ccn(CC(=O)NC2CCCCCC2)c1 ZINC000091803576 180259819 /nfs/dbraw/zinc/25/98/19/180259819.db2.gz CHVFZKQWEOVVRQ-GFCCVEGCSA-N 1 0 263.385 2.347 10 0 CEAERO Cc1ccccc1NC(=O)Cn1ccc([C@@H](C)[NH3+])c1 ZINC000091803476 180259881 /nfs/dbraw/zinc/25/98/81/180259881.db2.gz GZUTTZCKELXNEK-GFCCVEGCSA-N 1 0 257.337 2.455 10 0 CEAERO CCC(C)(C)NC(=O)Cn1ccc([C@H](C)[NH2+]C)c1 ZINC000091804442 180259919 /nfs/dbraw/zinc/25/99/19/180259919.db2.gz WTYJZAGHHWKACS-NSHDSACASA-N 1 0 251.374 2.073 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccn(CC(=O)N(C)CC)c1 ZINC000091806472 180260658 /nfs/dbraw/zinc/26/06/58/180260658.db2.gz MSQYSOPBTVXXAF-LBPRGKRZSA-N 1 0 251.374 2.027 10 0 CEAERO CC[C@@H]([NH3+])c1ccn(CC(=O)N[C@@H](C)C(C)C)c1 ZINC000091816262 180262097 /nfs/dbraw/zinc/26/20/97/180262097.db2.gz UJCFJSWGRGIUNY-WCQYABFASA-N 1 0 251.374 2.059 10 0 CEAERO CC[NH2+][C@H](CC)c1ccn(CC(=O)NC(C)C)c1 ZINC000091817118 180262950 /nfs/dbraw/zinc/26/29/50/180262950.db2.gz XEZNFWMGOUGISP-CYBMUJFWSA-N 1 0 251.374 2.073 10 0 CEAERO CCC[C@H]([NH3+])c1ccn(CC(=O)N[C@H](C)C(C)C)c1 ZINC000091820982 180264028 /nfs/dbraw/zinc/26/40/28/180264028.db2.gz OXASIESQERTWNU-OCCSQVGLSA-N 1 0 265.401 2.449 10 0 CEAERO CCC[C@@H]([NH2+]CC)c1ccn(CC(=O)N(C)CC)c1 ZINC000091823170 180264035 /nfs/dbraw/zinc/26/40/35/180264035.db2.gz WVTSHCSRYPRBEV-CQSZACIVSA-N 1 0 265.401 2.417 10 0 CEAERO CCN(CC)C(=O)Cn1ccc([C@H]([NH3+])C(C)C)c1 ZINC000091825550 180264944 /nfs/dbraw/zinc/26/49/44/180264944.db2.gz YYZVOSDEMRUYGP-CQSZACIVSA-N 1 0 251.374 2.012 10 0 CEAERO CCn1ncnc1Cn1ccc([C@@H]([NH2+]C)C(C)C)c1 ZINC000091827369 180264956 /nfs/dbraw/zinc/26/49/56/180264956.db2.gz JXEKZYVZXISBBU-AWEZNQCLSA-N 1 0 261.373 2.064 10 0 CEAERO C[NH2+][C@H](c1ccn(CC(=O)NCC(F)(F)F)c1)C(C)C ZINC000091827086 180265046 /nfs/dbraw/zinc/26/50/46/180265046.db2.gz ZOKFZSLEJRTXKR-LBPRGKRZSA-N 1 0 291.317 2.083 10 0 CEAERO CCCCNC(=O)Cn1ccc([C@H]([NH2+]CC)C2CC2)c1 ZINC000091838114 180268202 /nfs/dbraw/zinc/26/82/02/180268202.db2.gz YPEBNGVXUIJXBY-MRXNPFEDSA-N 1 0 277.412 2.465 10 0 CEAERO CCN(C(=O)c1ccc(OC)cc1O)C1CCC([NH3+])CC1 ZINC000091850107 180271823 /nfs/dbraw/zinc/27/18/23/180271823.db2.gz KQHIXBORIBYJSO-UHFFFAOYSA-N 1 0 292.379 2.133 10 0 CEAERO CC(C)n1cncc1[C@H](O)[C@]1(C[NH3+])CCc2ccccc21 ZINC000091926465 180287680 /nfs/dbraw/zinc/28/76/80/180287680.db2.gz SQMGMLUIAQPDFD-IRXDYDNUSA-N 1 0 285.391 2.340 10 0 CEAERO CN(C)C(=O)Nc1ccc(C[NH3+])cc1C(F)(F)F ZINC000091960660 180292621 /nfs/dbraw/zinc/29/26/21/180292621.db2.gz KKPYQFNJCOHVJL-UHFFFAOYSA-N 1 0 261.247 2.258 10 0 CEAERO [NH3+]Cc1c(F)cccc1NC(=O)N1CCCCC1 ZINC000091969081 180294574 /nfs/dbraw/zinc/29/45/74/180294574.db2.gz WLTPQDPXOAAVMK-UHFFFAOYSA-N 1 0 251.305 2.302 10 0 CEAERO CC[NH2+]C1CCC(N(C)C(=O)c2ccc(O)cc2)CC1 ZINC000091869633 180276572 /nfs/dbraw/zinc/27/65/72/180276572.db2.gz BSCXLXFSCXZEBL-UHFFFAOYSA-N 1 0 276.380 2.385 10 0 CEAERO C[NH2+]C1CCC(NC(=O)CSC(C)(C)C)CC1 ZINC000091871538 180276875 /nfs/dbraw/zinc/27/68/75/180276875.db2.gz ZTOZCCAVXIZAIK-UHFFFAOYSA-N 1 0 258.431 2.165 10 0 CEAERO CC(C)(C)C1CCC(O)([C@]2(C[NH3+])CCOC2)CC1 ZINC000091904950 180284026 /nfs/dbraw/zinc/28/40/26/180284026.db2.gz CXNQXZZBZHHHHP-BLZCZZARSA-N 1 0 255.402 2.319 10 0 CEAERO Cc1ccc([C@](C)(O)C2(C[NH3+])CCOCC2)cc1C ZINC000091906886 180284282 /nfs/dbraw/zinc/28/42/82/180284282.db2.gz VOISUBCZSJOEJO-HNNXBMFYSA-N 1 0 263.381 2.266 10 0 CEAERO O=C(N1CCC[C@@H]1C1CC[NH2+]CC1)N1CCCCC1 ZINC000091969189 180294757 /nfs/dbraw/zinc/29/47/57/180294757.db2.gz OMYDJOUQRSWAGR-CQSZACIVSA-N 1 0 265.401 2.056 10 0 CEAERO [NH3+]CC1([C@@H](O)c2ccc(OC(F)F)cc2)CCOCC1 ZINC000091909009 180284608 /nfs/dbraw/zinc/28/46/08/180284608.db2.gz KMEDPMMGSJBQCJ-LBPRGKRZSA-N 1 0 287.306 2.077 10 0 CEAERO CC[C@](C)(C[NH3+])[C@@H](O)c1cc(OC)ccc1OC ZINC000091908842 180284834 /nfs/dbraw/zinc/28/48/34/180284834.db2.gz AENOJZPBFIPARJ-UONOGXRCSA-N 1 0 253.342 2.112 10 0 CEAERO [NH3+]C[C@@]1([C@@H](O)c2ccc(F)cc2)COc2ccccc2C1 ZINC000091910398 180285046 /nfs/dbraw/zinc/28/50/46/180285046.db2.gz PEYPYUQPBQISSQ-DLBZAZTESA-N 1 0 287.334 2.439 10 0 CEAERO COc1cccc([C@H](O)C2(C[NH3+])CCCC2)c1OC ZINC000091910461 180285328 /nfs/dbraw/zinc/28/53/28/180285328.db2.gz SAEHOFSSPJRQGV-AWEZNQCLSA-N 1 0 265.353 2.256 10 0 CEAERO [NH3+]C[C@]1([C@H](O)Cc2ccccc2)COc2ccccc2C1 ZINC000091914061 180286196 /nfs/dbraw/zinc/28/61/96/180286196.db2.gz WZTQHCZJKAWTOH-MSOLQXFVSA-N 1 0 283.371 2.170 10 0 CEAERO COc1ccc([C@@H](O)C2(C[NH3+])CCCC2)cc1F ZINC000091923928 180287405 /nfs/dbraw/zinc/28/74/05/180287405.db2.gz RQBAGTHPLUDXFV-CYBMUJFWSA-N 1 0 253.317 2.387 10 0 CEAERO CC[NH2+][C@H](CC)c1ccccc1OC[C@@H]1CN(C)CCO1 ZINC000092054153 180312894 /nfs/dbraw/zinc/31/28/94/180312894.db2.gz CFMZFUPOXKRWKR-GOEBONIOSA-N 1 0 292.423 2.457 10 0 CEAERO CCN1CCO[C@H](C[NH2+]C[C@@H]2CCCC[C@@H]2C)C1 ZINC000092052484 180313024 /nfs/dbraw/zinc/31/30/24/180313024.db2.gz OMQMWLNEVOWRAV-SOUVJXGZSA-N 1 0 254.418 2.123 10 0 CEAERO CCN1CCO[C@H](C[NH2+]C23CC4CC(CC(C4)C2)C3)C1 ZINC000092051700 180313460 /nfs/dbraw/zinc/31/34/60/180313460.db2.gz DFRFAWCLCMVYFU-YYUOFMGYSA-N 1 0 278.440 2.266 10 0 CEAERO [NH3+]CC[C@H]1CCCN(C(=O)N2CCCCCC2)C1 ZINC000091971652 180295664 /nfs/dbraw/zinc/29/56/64/180295664.db2.gz WJTXKQHUVGTZCH-CYBMUJFWSA-N 1 0 253.390 2.043 10 0 CEAERO C[C@@H]1CCCN(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000091990552 180299864 /nfs/dbraw/zinc/29/98/64/180299864.db2.gz WNBMUOOZWQZHAH-CHWSQXEVSA-N 1 0 265.401 2.103 10 0 CEAERO C[C@@H]1CCCN(C(=O)N2CCCC[C@H]2CC[NH3+])C1 ZINC000091991214 180299953 /nfs/dbraw/zinc/29/99/53/180299953.db2.gz ZFVNCJYJAFDZDG-OLZOCXBDSA-N 1 0 253.390 2.042 10 0 CEAERO C[C@H]1CCCN(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000091991031 180299979 /nfs/dbraw/zinc/29/99/79/180299979.db2.gz LPKFWGFISJVQPK-ZFWWWQNUSA-N 1 0 279.428 2.302 10 0 CEAERO CC1CCN(C(=O)Nc2cccc(F)c2C(N)=[NH2+])CC1 ZINC000091993312 180300600 /nfs/dbraw/zinc/30/06/00/180300600.db2.gz SENYYYYUABCQEY-UHFFFAOYSA-N 1 0 278.331 2.374 10 0 CEAERO CC[NH2+]Cc1nc(C)ccc1OCCOC(F)(F)F ZINC000091994761 180301573 /nfs/dbraw/zinc/30/15/73/180301573.db2.gz PZRQZTUFMZOQJX-UHFFFAOYSA-N 1 0 278.274 2.415 10 0 CEAERO CCCNC(=O)[C@@H](C)Oc1ccc(C)nc1C[NH2+]C(C)C ZINC000091995373 180302219 /nfs/dbraw/zinc/30/22/19/180302219.db2.gz VEIIGYULXCGCAF-CYBMUJFWSA-N 1 0 293.411 2.182 10 0 CEAERO CCCNC(=O)[C@H](C)Oc1ccc(C)nc1C[NH2+]C(C)C ZINC000091995374 180302222 /nfs/dbraw/zinc/30/22/22/180302222.db2.gz VEIIGYULXCGCAF-ZDUSSCGKSA-N 1 0 293.411 2.182 10 0 CEAERO COc1ccc(CNC[C@@H](C)[NH+]2CCCC2)c(OC)c1 ZINC000092022006 180307993 /nfs/dbraw/zinc/30/79/93/180307993.db2.gz JBHXQDUVYQAKOO-CYBMUJFWSA-N 1 0 278.396 2.278 10 0 CEAERO COCC[NH2+]C[C@@H]1CCCCN1C/C(Cl)=C/Cl ZINC000092026213 180308497 /nfs/dbraw/zinc/30/84/97/180308497.db2.gz XRNZXSHTYYBWHE-KGTBHZDVSA-N 1 0 281.227 2.396 10 0 CEAERO CCC(=O)Nc1cccc(NC(=O)[C@@H](C)C[NH2+]C)c1C ZINC000092133763 180331468 /nfs/dbraw/zinc/33/14/68/180331468.db2.gz ABVNBAHSTUPSOC-JTQLQIEISA-N 1 0 277.368 2.138 10 0 CEAERO CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H](C)C[NH2+]C ZINC000092134578 180332874 /nfs/dbraw/zinc/33/28/74/180332874.db2.gz CJYXINXUOSDCPN-SNVBAGLBSA-N 1 0 270.323 2.169 10 0 CEAERO C[C@H]1C[N@H+](CCC(=O)Nc2cccc(N)c2)C[C@H]1C ZINC000092080544 180318791 /nfs/dbraw/zinc/31/87/91/180318791.db2.gz GZUFMAHWLKPBSM-TXEJJXNPSA-N 1 0 261.369 2.185 10 0 CEAERO C[C@@H]1CN([C@@H](C[NH3+])c2ccc3c(c2)OCCCO3)C[C@H]1C ZINC000092082925 180319595 /nfs/dbraw/zinc/31/95/95/180319595.db2.gz YCKBAHNLPWHJEL-NFAWXSAZSA-N 1 0 290.407 2.436 10 0 CEAERO C[C@H]1C[NH+](Cc2cc(N)cc3c2OCOC3)C[C@@H]1C ZINC000092081190 180319672 /nfs/dbraw/zinc/31/96/72/180319672.db2.gz ACWBHPBSDPSZPQ-QWRGUYRKSA-N 1 0 262.353 2.223 10 0 CEAERO C[C@H]1C[N@@H+]([C@@H](CN)c2ccc3c(c2)CCO3)C[C@H]1C ZINC000092083607 180320280 /nfs/dbraw/zinc/32/02/80/180320280.db2.gz JZSOABACIKELBI-ZOWXZIJZSA-N 1 0 260.381 2.209 10 0 CEAERO C[C@@H]1CN(C(=O)C2(C[NH3+])CCCCCC2)C[C@H]1C ZINC000092087363 180321208 /nfs/dbraw/zinc/32/12/08/180321208.db2.gz AFSSXPWHLLPHJG-CHWSQXEVSA-N 1 0 252.402 2.400 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)NCc2cccc(C(F)(F)F)c2)C1 ZINC000092201272 180342816 /nfs/dbraw/zinc/34/28/16/180342816.db2.gz AMUXQYDEHUUXHL-JQWIXIFHSA-N 1 0 284.281 2.225 10 0 CEAERO Cc1nc2ccc(NC(=O)[C@@H]3C=C[C@@H]([NH3+])C3)cc2s1 ZINC000092202669 180343409 /nfs/dbraw/zinc/34/34/09/180343409.db2.gz UTOSAXSFHLVRTG-NXEZZACHSA-N 1 0 273.361 2.447 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)NC2CCC(C(F)(F)F)CC2)C1 ZINC000092203765 180343439 /nfs/dbraw/zinc/34/34/39/180343439.db2.gz ILVWZMGOBMLGTO-QPBDYMMBSA-N 1 0 276.302 2.127 10 0 CEAERO CCOc1cc(C)ccc1NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092204192 180343725 /nfs/dbraw/zinc/34/37/25/180343725.db2.gz FRJVADFQPCTYGQ-VXGBXAGGSA-N 1 0 260.337 2.236 10 0 CEAERO CCN(Cc1cccs1)C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092204814 180343784 /nfs/dbraw/zinc/34/37/84/180343784.db2.gz ISOFCJOKYRPEEV-GHMZBOCLSA-N 1 0 250.367 2.000 10 0 CEAERO Cc1ccc(CN(C)C(=O)[C@H]2C=C[C@H]([NH3+])C2)c(C)c1 ZINC000092204819 180343840 /nfs/dbraw/zinc/34/38/40/180343840.db2.gz UZENFKHCLRIARG-ZFWWWQNUSA-N 1 0 258.365 2.165 10 0 CEAERO C[C@@H](NC(=O)[C@H]1C=C[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000092206670 180344106 /nfs/dbraw/zinc/34/41/06/180344106.db2.gz NBLGWWNHCNYNGI-SUZMYJTESA-N 1 0 264.756 2.421 10 0 CEAERO CC[C@H](NC(=O)[C@H]1C=C[C@@H]([NH3+])C1)C1CCCCC1 ZINC000092207311 180344190 /nfs/dbraw/zinc/34/41/90/180344190.db2.gz ATQNPPIUDJNXFV-MJBXVCDLSA-N 1 0 250.386 2.365 10 0 CEAERO C[C@H](NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000092205814 180344387 /nfs/dbraw/zinc/34/43/87/180344387.db2.gz DVGGNJBKXBYPME-UFGOTCBOSA-N 1 0 264.756 2.421 10 0 CEAERO COc1ccccc1[C@H](C)N(C)C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092204919 180344420 /nfs/dbraw/zinc/34/44/20/180344420.db2.gz BCRWPDHVGVCOFC-YNEHKIRRSA-N 1 0 274.364 2.118 10 0 CEAERO CCC1(CC)CCN(C(=O)[C@@H]2C=C[C@@H]([NH3+])C2)CC1 ZINC000092207564 180344873 /nfs/dbraw/zinc/34/48/73/180344873.db2.gz LQTVLLWVUFVYQG-CHWSQXEVSA-N 1 0 250.386 2.319 10 0 CEAERO CSc1ccccc1C(=O)N1C[C@@H]2C[NH2+]C[C@@H]2C1(C)C ZINC000092232590 180349367 /nfs/dbraw/zinc/34/93/67/180349367.db2.gz HNSNLNLADYIBAN-AAEUAGOBSA-N 1 0 290.432 2.479 10 0 CEAERO C[C@H](C[NH3+])c1noc([C@H]2CSc3ccccc32)n1 ZINC000092240236 180351878 /nfs/dbraw/zinc/35/18/78/180351878.db2.gz UHDVXQBEJBKLIR-SCZZXKLOSA-N 1 0 261.350 2.369 10 0 CEAERO C[C@H](C(N)=S)[N@H+](C)C[C@@H]1Cc2ccccc2S1 ZINC000092261068 180354181 /nfs/dbraw/zinc/35/41/81/180354181.db2.gz QXAZIJKHRLTZBA-KOLCDFICSA-N 1 0 266.435 2.310 10 0 CEAERO C[NH2+][C@H]1CCCN(C[C@@H]2Cc3ccccc3S2)C1 ZINC000092267716 180355472 /nfs/dbraw/zinc/35/54/72/180355472.db2.gz UAPKYUJKYQIUBP-KBPBESRZSA-N 1 0 262.422 2.387 10 0 CEAERO OCC1(C[C@H]2Cc3ccccc3S2)CC[NH2+]CC1 ZINC000092273872 180356312 /nfs/dbraw/zinc/35/63/12/180356312.db2.gz YJQRBGHDRTYEQJ-CYBMUJFWSA-N 1 0 263.406 2.456 10 0 CEAERO C[NH2+]Cc1ccnn1C[C@H]1Cc2ccccc2S1 ZINC000092271915 180356509 /nfs/dbraw/zinc/35/65/09/180356509.db2.gz QBCJTJITSXYQPZ-CYBMUJFWSA-N 1 0 259.378 2.320 10 0 CEAERO CCCNC(=O)CC[NH2+]C[C@H]1CSc2ccccc21 ZINC000092275325 180356771 /nfs/dbraw/zinc/35/67/71/180356771.db2.gz LJDJEGCQAGJROM-LBPRGKRZSA-N 1 0 278.421 2.382 10 0 CEAERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1cc(F)ccc1F ZINC000105872260 186081206 /nfs/dbraw/zinc/08/12/06/186081206.db2.gz MJCLLJOZSQSEKZ-ONGXEEELSA-N 1 0 278.306 2.222 10 0 CEAERO CC[C@@H](C)NC(=O)CC[NH2+]C[C@H]1COc2ccccc21 ZINC000092299817 180358785 /nfs/dbraw/zinc/35/87/85/180358785.db2.gz XSKUTMYYKRJTEP-OLZOCXBDSA-N 1 0 276.380 2.057 10 0 CEAERO CC[NH2+]C[C@H]1CCCN1C[C@@H]1COc2ccccc21 ZINC000092302621 180359742 /nfs/dbraw/zinc/35/97/42/180359742.db2.gz BKQHPIDFUBFXQG-ZIAGYGMSSA-N 1 0 260.381 2.237 10 0 CEAERO Cc1cccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000105883299 186083642 /nfs/dbraw/zinc/08/36/42/186083642.db2.gz SJPZRAZFCRPYOF-MRXNPFEDSA-N 1 0 270.380 2.499 10 0 CEAERO CC[NH2+][C@@H](CN1C(=O)C[C@H](C)C1=O)c1cc(C)ccc1C ZINC000105832582 186075483 /nfs/dbraw/zinc/07/54/83/186075483.db2.gz OTPCCRUHTJXXOV-ZFWWWQNUSA-N 1 0 288.391 2.349 10 0 CEAERO Cc1cnn([C@@H]2CCC[N@@H+](CCOC(C)C)C2)c1 ZINC000105900578 186087906 /nfs/dbraw/zinc/08/79/06/186087906.db2.gz AQPMUVBAIUCRPD-CQSZACIVSA-N 1 0 251.374 2.253 10 0 CEAERO Cc1ccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000105919601 186089734 /nfs/dbraw/zinc/08/97/34/186089734.db2.gz GMMMPLMPDKUTSR-INIZCTEOSA-N 1 0 270.380 2.499 10 0 CEAERO COc1ccc(-n2nc(C)c(C[C@@H](C)[NH3+])c2C)cc1 ZINC000092320070 180361609 /nfs/dbraw/zinc/36/16/09/180361609.db2.gz PWUDJXYWHFYIRG-SNVBAGLBSA-N 1 0 259.353 2.387 10 0 CEAERO C[NH+](C)C[C@H]1CN(Cc2csc(C(C)(C)C)n2)CCO1 ZINC000105925701 186090415 /nfs/dbraw/zinc/09/04/15/186090415.db2.gz IYAOFSUTZMHUKZ-ZDUSSCGKSA-N 1 0 297.468 2.203 10 0 CEAERO CC[NH2+]CCCc1c(C)nn(-c2nc(C)cc(C)n2)c1C ZINC000092320475 180361639 /nfs/dbraw/zinc/36/16/39/180361639.db2.gz ZVXCHNSHSCCLCF-UHFFFAOYSA-N 1 0 287.411 2.438 10 0 CEAERO C[NH+](C)C[C@H]1CN(Cc2ccc(Cl)cc2)CCO1 ZINC000105925404 186091195 /nfs/dbraw/zinc/09/11/95/186091195.db2.gz VZCKEIGRNYIPFX-AWEZNQCLSA-N 1 0 268.788 2.102 10 0 CEAERO CCc1nc(C2CCOCC2)nc(CC)c1CC[NH2+]C ZINC000092318438 180361986 /nfs/dbraw/zinc/36/19/86/180361986.db2.gz VIPQOIMTVMHUPR-UHFFFAOYSA-N 1 0 277.412 2.257 10 0 CEAERO Cc1cnn([C@@H]2CCC[N@H+](C[C@H](O)COC(C)(C)C)C2)c1 ZINC000105923513 186091531 /nfs/dbraw/zinc/09/15/31/186091531.db2.gz MZSLGBDUESFBRE-CABCVRRESA-N 1 0 295.427 2.004 10 0 CEAERO CC[N@@H+]1CCC[C@@H]([C@@H](C)NCc2c(C)nn(C)c2C)C1 ZINC000092325054 180362746 /nfs/dbraw/zinc/36/27/46/180362746.db2.gz XJRJYRAAVXDJLM-IUODEOHRSA-N 1 0 278.444 2.247 10 0 CEAERO Cc1noc(C)c1[C@@H](C)NC(=O)CC[C@@H](C)CC[NH3+] ZINC000092329721 180363748 /nfs/dbraw/zinc/36/37/48/180363748.db2.gz WHLMBUZQJRORMZ-NXEZZACHSA-N 1 0 267.373 2.234 10 0 CEAERO C[C@@H](O)C[N@@H+]1CCN(Cc2ccccc2Cl)C[C@@H]1C ZINC000106101176 186101402 /nfs/dbraw/zinc/10/14/02/186101402.db2.gz MXPOFHOIRXIEET-QWHCGFSZSA-N 1 0 282.815 2.227 10 0 CEAERO CCOCC[N@@H+]1CCN(Cc2ccccc2F)C[C@@H]1C ZINC000106110641 186102430 /nfs/dbraw/zinc/10/24/30/186102430.db2.gz OAKJWFDIPADALV-AWEZNQCLSA-N 1 0 280.387 2.368 10 0 CEAERO CCC[NH2+]C[C@H]1CCN(Cc2c(C)noc2C)C1 ZINC000092339882 180365290 /nfs/dbraw/zinc/36/52/90/180365290.db2.gz JVFGSBPGMGZRLQ-CYBMUJFWSA-N 1 0 251.374 2.113 10 0 CEAERO CCC[NH2+][C@@H]1CCCN([C@@H](C)c2c(C)noc2C)C1=O ZINC000092342005 180365977 /nfs/dbraw/zinc/36/59/77/180365977.db2.gz JMMXBQKQIVMLCD-WCQYABFASA-N 1 0 279.384 2.343 10 0 CEAERO Cc1noc(C)c1[C@@H](C)N1CCC[NH2+][C@H](C2CC2)C1 ZINC000092342414 180366063 /nfs/dbraw/zinc/36/60/63/180366063.db2.gz ZRPHLKPRUQIUMR-RISCZKNCSA-N 1 0 263.385 2.426 10 0 CEAERO CCOC(=O)N[C@@H](C[NH3+])c1cc(C)nc2ccccc21 ZINC000092344469 180366153 /nfs/dbraw/zinc/36/61/53/180366153.db2.gz VPDNMENVVRXSLQ-AWEZNQCLSA-N 1 0 273.336 2.289 10 0 CEAERO CC[C@H]1C[NH2+]C(C)(C)CN1Cc1c(C)noc1C ZINC000092342693 180366386 /nfs/dbraw/zinc/36/63/86/180366386.db2.gz ZXCFDUBLGPCORV-LBPRGKRZSA-N 1 0 251.374 2.254 10 0 CEAERO CC[C@@H](O)C[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000106384897 186111496 /nfs/dbraw/zinc/11/14/96/186111496.db2.gz HTPBKYGAEGXJAG-NWDGAFQWSA-N 1 0 254.399 2.402 10 0 CEAERO Nc1cccc(CN2CCC([NH+]3CCCCC3)CC2)n1 ZINC000092368658 180370383 /nfs/dbraw/zinc/37/03/83/180370383.db2.gz FCIJBGXJFJGKFT-UHFFFAOYSA-N 1 0 274.412 2.114 10 0 CEAERO CCN(CC)C(=O)C[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000105894768 186086124 /nfs/dbraw/zinc/08/61/24/186086124.db2.gz XCWZDQOUANPUFX-CQSZACIVSA-N 1 0 292.427 2.042 10 0 CEAERO CCC[NH2+][C@]1(CC(N)=O)CCCc2ccc(OC)cc21 ZINC000092390494 180375329 /nfs/dbraw/zinc/37/53/29/180375329.db2.gz WGVCHKHHTSQLFH-INIZCTEOSA-N 1 0 276.380 2.102 10 0 CEAERO C[NH2+][C@H]1c2cc(OC)ccc2CC[C@H]1SCCCO ZINC000092390243 180375335 /nfs/dbraw/zinc/37/53/35/180375335.db2.gz JVJLKXRAXNNBPS-CABCVRRESA-N 1 0 281.421 2.386 10 0 CEAERO CC(C)[C@@H](CO)[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000092400291 180377382 /nfs/dbraw/zinc/37/73/82/180377382.db2.gz VZECCDPMQCNVKA-OLZOCXBDSA-N 1 0 291.313 2.345 10 0 CEAERO CC(C)[C@H](CO)[NH2+]C[C@H]1Cc2cc(Cl)ccc2O1 ZINC000092400478 180377593 /nfs/dbraw/zinc/37/75/93/180377593.db2.gz GTMHJUDCORTRBU-OLZOCXBDSA-N 1 0 269.772 2.250 10 0 CEAERO COCCC[N@H+](CCOC)Cc1cc(Cl)ccn1 ZINC000092416390 180380115 /nfs/dbraw/zinc/38/01/15/180380115.db2.gz QEZLRGUGKMUTFW-UHFFFAOYSA-N 1 0 272.776 2.220 10 0 CEAERO CN(Cc1cc(Cl)ccn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000092417133 180381528 /nfs/dbraw/zinc/38/15/28/180381528.db2.gz AOVROGMEDPWCEJ-ONXXMXGDSA-N 1 0 265.788 2.450 10 0 CEAERO Cc1ccc(C[N@@H+](C)Cc2cc(NN)ccn2)cc1 ZINC000092425134 180382964 /nfs/dbraw/zinc/38/29/64/180382964.db2.gz OATLWTOXCLUAHU-UHFFFAOYSA-N 1 0 256.353 2.308 10 0 CEAERO COCCCO[C@@H]1CCc2ccc(OC)cc2[C@H]1[NH3+] ZINC000092386734 180373638 /nfs/dbraw/zinc/37/36/38/180373638.db2.gz PEUYKWHWYZHIQX-HUUCEWRRSA-N 1 0 265.353 2.063 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@@H](OCC1CCOCC1)CC2 ZINC000092386809 180373687 /nfs/dbraw/zinc/37/36/87/180373687.db2.gz LZSMHCQMHSBJFW-IRXDYDNUSA-N 1 0 291.391 2.453 10 0 CEAERO COc1ccc2c(c1)[C@]([NH2+]C1CCCC1)(C(N)=O)CCC2 ZINC000092384954 180373768 /nfs/dbraw/zinc/37/37/68/180373768.db2.gz JCDCLRXNHHVHGZ-KRWDZBQOSA-N 1 0 288.391 2.244 10 0 CEAERO C[NH2+][C@H]1c2cc(OC)ccc2CC[C@H]1n1cccn1 ZINC000092385994 180373969 /nfs/dbraw/zinc/37/39/69/180373969.db2.gz XXEVSHXXNIAPOC-CABCVRRESA-N 1 0 257.337 2.340 10 0 CEAERO COc1ccc2c(c1)[C@H](N)[C@@H]([N@H+](C)CC1CC1)CC2 ZINC000092385649 180374159 /nfs/dbraw/zinc/37/41/59/180374159.db2.gz WXWNAKFMSLXBMC-HOTGVXAUSA-N 1 0 260.381 2.352 10 0 CEAERO C[NH2+][C@H]1c2cc(OC)ccc2CC[C@H]1N(C)C1CC1 ZINC000092385371 180374185 /nfs/dbraw/zinc/37/41/85/180374185.db2.gz KBEJXTAYTMNHCO-CVEARBPZSA-N 1 0 260.381 2.365 10 0 CEAERO COc1ccc(CN(C)CC[NH3+])cc1C(C)(C)C ZINC000107294827 186168233 /nfs/dbraw/zinc/16/82/33/186168233.db2.gz FCDYHQUYELXJDJ-UHFFFAOYSA-N 1 0 250.386 2.383 10 0 CEAERO Cc1cccc(CN2C[C@@H](C3CC3)[NH2+]CC[C@@H]2C)n1 ZINC000092433829 180384313 /nfs/dbraw/zinc/38/43/13/180384313.db2.gz KHYHDJCVNNHMPS-BBRMVZONSA-N 1 0 259.397 2.352 10 0 CEAERO Cc1cccc(Cn2c3ccccc3cc(C[NH3+])c2=O)n1 ZINC000092432520 180384459 /nfs/dbraw/zinc/38/44/59/180384459.db2.gz BPIFPHMZUALBAE-UHFFFAOYSA-N 1 0 279.343 2.212 10 0 CEAERO Cc1cccc(CN2C[C@@H](C3CC3)[NH2+]CC2(C)C)n1 ZINC000092433750 180384578 /nfs/dbraw/zinc/38/45/78/180384578.db2.gz NNVABDWAAAJFDA-HNNXBMFYSA-N 1 0 259.397 2.352 10 0 CEAERO CC[C@H]([NH2+]CCNCC(F)(F)F)c1nccs1 ZINC000092435276 180384906 /nfs/dbraw/zinc/38/49/06/180384906.db2.gz TXZUWFLKYDUOSB-QMMMGPOBSA-N 1 0 267.320 2.336 10 0 CEAERO COc1ccc(-c2cn3c(n2)[C@@H](C)C[C@@H]([NH3+])C3)cc1OC ZINC000107827688 186194554 /nfs/dbraw/zinc/19/45/54/186194554.db2.gz JLUGXNOEJMQCLL-CMPLNLGQSA-N 1 0 287.363 2.402 10 0 CEAERO CC(C)c1ccc(-c2nc3c(c(=O)[nH]2)C[NH2+]CC3)cc1 ZINC000108249629 186209365 /nfs/dbraw/zinc/20/93/65/186209365.db2.gz DVIOFOXQFVXWDD-UHFFFAOYSA-N 1 0 269.348 2.206 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000109124080 186243835 /nfs/dbraw/zinc/24/38/35/186243835.db2.gz CYEMSWYASTYWFO-UPJWGTAASA-N 1 0 294.345 2.231 10 0 CEAERO C[C@H](CO)C[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000109122384 186244213 /nfs/dbraw/zinc/24/42/13/186244213.db2.gz YTMNYOJOLKQTPU-BLLLJJGKSA-N 1 0 259.349 2.091 10 0 CEAERO Cc1ccsc1-c1nc([C@@H](C)N2CC[NH2+]CC2)no1 ZINC000109474118 186255416 /nfs/dbraw/zinc/25/54/16/186255416.db2.gz GCJGMMHTLRGRGQ-SNVBAGLBSA-N 1 0 278.381 2.073 10 0 CEAERO C[NH2+][C@H](Cc1nc(Cc2ccncc2)no1)C(C)(C)C ZINC000109509090 186258070 /nfs/dbraw/zinc/25/80/70/186258070.db2.gz QEBSTGKPFAUNHY-GFCCVEGCSA-N 1 0 274.368 2.232 10 0 CEAERO CC[NH2+][C@@H](COC)Cc1nc(Cc2ccc(C)cc2)no1 ZINC000109507903 186258256 /nfs/dbraw/zinc/25/82/56/186258256.db2.gz QVUFOHOMIBBXTP-CQSZACIVSA-N 1 0 289.379 2.136 10 0 CEAERO CC(C)[C@@H]([NH3+])Cc1nc(Cc2cccs2)no1 ZINC000109510237 186258420 /nfs/dbraw/zinc/25/84/20/186258420.db2.gz MVLYEIMUOGYOPL-JTQLQIEISA-N 1 0 251.355 2.248 10 0 CEAERO C[NH2+][C@H](Cc1nc(Cc2cccs2)no1)C1CC1 ZINC000109510532 186258497 /nfs/dbraw/zinc/25/84/97/186258497.db2.gz PAUKEIPPTGMOEF-LLVKDONJSA-N 1 0 263.366 2.262 10 0 CEAERO C[NH2+][C@H](Cc1nc(Cc2cccc(OC)c2)no1)C(C)C ZINC000109513207 186258692 /nfs/dbraw/zinc/25/86/92/186258692.db2.gz JFTRLCHXLLMLGW-CQSZACIVSA-N 1 0 289.379 2.456 10 0 CEAERO CCCOCc1noc([C@@H]2CCC[C@@H]2[NH2+]CC)n1 ZINC000109519705 186258724 /nfs/dbraw/zinc/25/87/24/186258724.db2.gz MUBCBAAFTCXCJN-MNOVXSKESA-N 1 0 253.346 2.242 10 0 CEAERO Cc1cc2ncnn2c(NCc2ccc(C[NH3+])cc2F)c1 ZINC000109540635 186260854 /nfs/dbraw/zinc/26/08/54/186260854.db2.gz CXPCBSUAYWNGRM-UHFFFAOYSA-N 1 0 285.326 2.248 10 0 CEAERO C[N@@H+]1CC[C@H](Nc2cc(C(=O)[O-])nc3ccccc32)C1 ZINC000109588396 186263930 /nfs/dbraw/zinc/26/39/30/186263930.db2.gz HSAGUEOYCNUMHH-JTQLQIEISA-N 1 0 271.320 2.049 10 0 CEAERO CCC[NH2+][C@@H]1c2ccc(OCCOC(C)C)cc2NC1=O ZINC000109574053 186263980 /nfs/dbraw/zinc/26/39/80/186263980.db2.gz PNOCKNZMGKVHOV-OAHLLOKOSA-N 1 0 292.379 2.483 10 0 CEAERO CC[NH2+][C@@H]1c2ccc(-n3nc(C)c(C)c3C)cc2NC1=O ZINC000109572973 186264306 /nfs/dbraw/zinc/26/43/06/186264306.db2.gz LURYIAZGRJLOLE-OAHLLOKOSA-N 1 0 284.363 2.400 10 0 CEAERO C[N@@H+]1CCC[C@H](Nc2cc(C(=O)[O-])nc3ccccc32)C1 ZINC000109587817 186264342 /nfs/dbraw/zinc/26/43/42/186264342.db2.gz GQVNRZLYTZZZQD-NSHDSACASA-N 1 0 285.347 2.439 10 0 CEAERO CCCCOCCOc1ccc2c(c1)NC(=O)[C@H]2[NH2+]CC ZINC000109575259 186264380 /nfs/dbraw/zinc/26/43/80/186264380.db2.gz QTHBXIGEQXRVFF-HNNXBMFYSA-N 1 0 292.379 2.485 10 0 CEAERO CCCN(CC(=O)OCC)Cc1cc(C[NH3+])ccc1F ZINC000109604034 186267791 /nfs/dbraw/zinc/26/77/91/186267791.db2.gz VKRHZQYQYWFXTR-UHFFFAOYSA-N 1 0 282.359 2.060 10 0 CEAERO CC[C@@H]([NH2+]CCc1nncn1C)c1cccs1 ZINC000109421583 186251973 /nfs/dbraw/zinc/25/19/73/186251973.db2.gz NYODCQBEVLSSNC-SNVBAGLBSA-N 1 0 250.371 2.160 10 0 CEAERO CCC[C@H](C[NH3+])N1CCN(C(=O)C2CCCCCC2)CC1 ZINC000109449389 186253192 /nfs/dbraw/zinc/25/31/92/186253192.db2.gz CHVNYWIOCAJUDY-MRXNPFEDSA-N 1 0 295.471 2.228 10 0 CEAERO C[C@@H](c1nc2c(s1)CCCCC2)N1CC[NH2+]CC1 ZINC000109471922 186254853 /nfs/dbraw/zinc/25/48/53/186254853.db2.gz HOFROXLHXCVTER-NSHDSACASA-N 1 0 265.426 2.378 10 0 CEAERO Cc1ccc(-c2nc([C@H](C)N3CC[NH2+]CC3)no2)cc1C ZINC000109473789 186254888 /nfs/dbraw/zinc/25/48/88/186254888.db2.gz SBGQXPGKUMIOHV-ZDUSSCGKSA-N 1 0 286.379 2.320 10 0 CEAERO Cc1ccc(F)c(-c2nc([C@@H](C)N3CC[NH2+]CC3)no2)c1 ZINC000109473590 186254968 /nfs/dbraw/zinc/25/49/68/186254968.db2.gz XHGWFVHYXJPVPF-LLVKDONJSA-N 1 0 290.342 2.150 10 0 CEAERO CCc1ccc(-c2nc([C@@H](C)N3CC[NH2+]CC3)no2)cc1 ZINC000109474073 186255077 /nfs/dbraw/zinc/25/50/77/186255077.db2.gz LVSPQLABVCMLQH-GFCCVEGCSA-N 1 0 286.379 2.265 10 0 CEAERO CCC[C@@H](c1noc(-c2ccoc2)n1)N1CC[NH2+]CC1 ZINC000109475047 186255079 /nfs/dbraw/zinc/25/50/79/186255079.db2.gz KMCUUFLFMSDEFX-LBPRGKRZSA-N 1 0 276.340 2.076 10 0 CEAERO Cc1nnc(SCC[NH2+]CCc2ccsc2)n1C ZINC000110250291 186288870 /nfs/dbraw/zinc/28/88/70/186288870.db2.gz NDAMJMIWXKAHKV-UHFFFAOYSA-N 1 0 282.438 2.109 10 0 CEAERO Cc1nc(N2CC[C@H]([NH+]3CCCC3)C2)sc1[C@@H](C)O ZINC000110271607 186289217 /nfs/dbraw/zinc/28/92/17/186289217.db2.gz UOBFRFRSRPYXLK-NEPJUHHUSA-N 1 0 281.425 2.179 10 0 CEAERO NC(=S)c1ccc(N2CC[C@H]([NH+]3CCCC3)C2)c(F)c1 ZINC000110278485 186289624 /nfs/dbraw/zinc/28/96/24/186289624.db2.gz VYCISQABMQLJGH-LBPRGKRZSA-N 1 0 293.411 2.134 10 0 CEAERO COC[C@@H](C)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000110438863 186296050 /nfs/dbraw/zinc/29/60/50/186296050.db2.gz KMADSUHAWWOZLP-CQSZACIVSA-N 1 0 270.417 2.041 10 0 CEAERO CCC(=O)[C@H](C)c1nc(CC[NH+](CC)CC)no1 ZINC000110468697 186298155 /nfs/dbraw/zinc/29/81/55/186298155.db2.gz JHBVTMXYPBNCDV-JTQLQIEISA-N 1 0 253.346 2.037 10 0 CEAERO CC[C@@]1(C(=O)Nc2nc3ccccc3[nH]2)CCC[NH2+]C1 ZINC000110538134 186301686 /nfs/dbraw/zinc/30/16/86/186301686.db2.gz MZWAATBZQMOTES-OAHLLOKOSA-N 1 0 272.352 2.281 10 0 CEAERO O=C(C[NH2+]C1CCCC1)Nc1nc2ccccc2[nH]1 ZINC000110538187 186302150 /nfs/dbraw/zinc/30/21/50/186302150.db2.gz MYHFMOOFWSTTPP-UHFFFAOYSA-N 1 0 258.325 2.034 10 0 CEAERO CC[C@@H]([NH3+])c1noc([C@@H]2COc3ccccc3C2)n1 ZINC000110540887 186302848 /nfs/dbraw/zinc/30/28/48/186302848.db2.gz XUUXPZNAMPUYOY-WDEREUQCSA-N 1 0 259.309 2.198 10 0 CEAERO COc1cc2c(cc1F)[nH+]c(N)n2[C@H](C)Cn1cccn1 ZINC000110629718 186307235 /nfs/dbraw/zinc/30/72/35/186307235.db2.gz VSAJATGIEXAFFF-SECBINFHSA-N 1 0 289.314 2.224 10 0 CEAERO COc1cc2c(cc1F)[nH+]c(N)n2C[C@H]1CCCOC1 ZINC000110629985 186307924 /nfs/dbraw/zinc/30/79/24/186307924.db2.gz GNLPSFJXDQFORL-SECBINFHSA-N 1 0 279.315 2.193 10 0 CEAERO C[C@H]([NH3+])C1CCN(C(=O)c2cccn2C2CC2)CC1 ZINC000110646590 186308244 /nfs/dbraw/zinc/30/82/44/186308244.db2.gz VKKZZTDERMDZNS-NSHDSACASA-N 1 0 261.369 2.022 10 0 CEAERO C[N@@H+](CC(=O)Nc1ccc(F)cc1N)CC1CCCC1 ZINC000110832629 186328125 /nfs/dbraw/zinc/32/81/25/186328125.db2.gz CDCAKWLQLQZEFL-UHFFFAOYSA-N 1 0 279.359 2.468 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1cnccn1)c1ccncc1 ZINC000110912607 186332519 /nfs/dbraw/zinc/33/25/19/186332519.db2.gz BADKQZCPNVJDFT-DGCLKSJQSA-N 1 0 260.366 2.442 10 0 CEAERO CC(C)N(C(=O)CN(C)[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000110929465 186333171 /nfs/dbraw/zinc/33/31/71/186333171.db2.gz JTLQBQJOGWXQEH-MRXNPFEDSA-N 1 0 295.471 2.240 10 0 CEAERO c1ccc(-c2nn[nH]c2C[NH2+]CCc2ccncc2)cc1 ZINC000110924948 186333845 /nfs/dbraw/zinc/33/38/45/186333845.db2.gz QJSFRLXZYCOFOU-UHFFFAOYSA-N 1 0 279.347 2.199 10 0 CEAERO CN(C(=O)Cc1c(F)cccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000110927404 186333988 /nfs/dbraw/zinc/33/39/88/186333988.db2.gz QMQORYBWJDCJFN-SNVBAGLBSA-N 1 0 284.762 2.232 10 0 CEAERO CCN(C(=O)c1ccc(Cl)o1)[C@@H]1CCC[NH2+]C1 ZINC000110940204 186334756 /nfs/dbraw/zinc/33/47/56/186334756.db2.gz SPELYEDJEGZAID-SECBINFHSA-N 1 0 256.733 2.147 10 0 CEAERO CCN(C(=O)c1cccc2cccnc21)[C@H]1CCC[NH2+]C1 ZINC000110939427 186334866 /nfs/dbraw/zinc/33/48/66/186334866.db2.gz VWURJALBTFALFD-AWEZNQCLSA-N 1 0 283.375 2.449 10 0 CEAERO CCN(CC(=O)N(CC)C1=CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000110942772 186335075 /nfs/dbraw/zinc/33/50/75/186335075.db2.gz LBWIGXSMOQUQSY-MRXNPFEDSA-N 1 0 293.455 2.367 10 0 CEAERO [NH3+]CCc1nc2ccccc2n1C[C@@H]1CCCCO1 ZINC000110948698 186335501 /nfs/dbraw/zinc/33/55/01/186335501.db2.gz GCSATUGMMKUALP-LBPRGKRZSA-N 1 0 259.353 2.107 10 0 CEAERO CCCN(C[C@H]1COC2(CCCC2)O1)[C@@H]1CCC[NH2+]C1 ZINC000110946748 186335653 /nfs/dbraw/zinc/33/56/53/186335653.db2.gz CNFUODOMNYFKDE-CABCVRRESA-N 1 0 282.428 2.136 10 0 CEAERO CCCN(Cc1ccc(C(=O)OC)o1)[C@@H]1CCC[NH2+]C1 ZINC000110945819 186335701 /nfs/dbraw/zinc/33/57/01/186335701.db2.gz RBAULRSSHFYLDJ-GFCCVEGCSA-N 1 0 280.368 2.030 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(C)cc1OC[C@@H](C)C(N)=O ZINC000110960657 186336539 /nfs/dbraw/zinc/33/65/39/186336539.db2.gz YBPAEEKEGJCQGM-NEPJUHHUSA-N 1 0 264.369 2.166 10 0 CEAERO CCN(C(=O)COc1cc(C)ccc1[C@@H](C)[NH3+])C1CC1 ZINC000110958294 186336882 /nfs/dbraw/zinc/33/68/82/186336882.db2.gz FOMOZCCHCYZKJH-GFCCVEGCSA-N 1 0 276.380 2.404 10 0 CEAERO CC[C@@H]1CN(CC(=O)c2ccccc2C)CC[N@@H+]1C ZINC000110728403 186317094 /nfs/dbraw/zinc/31/70/94/186317094.db2.gz QLTUMEFQMAPKIV-CQSZACIVSA-N 1 0 260.381 2.204 10 0 CEAERO CCNc1ccc(CN2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000110743184 186319002 /nfs/dbraw/zinc/31/90/02/186319002.db2.gz PCVVANHWWAIULO-UHFFFAOYSA-N 1 0 262.401 2.039 10 0 CEAERO C[C@H](O)c1cccc(NC(=O)N2CC[N@H+](C)C(C)(C)C2)c1 ZINC000110770210 186322752 /nfs/dbraw/zinc/32/27/52/186322752.db2.gz QJBZIZVNQPCZFQ-LBPRGKRZSA-N 1 0 291.395 2.298 10 0 CEAERO CCOC(CCN1CC[NH+](C2CCCC2)CC1)OCC ZINC000110785912 186324032 /nfs/dbraw/zinc/32/40/32/186324032.db2.gz LAOLDCNCKNRMBM-UHFFFAOYSA-N 1 0 284.444 2.336 10 0 CEAERO CCOC(C[N@H+](CCOC)[C@H](C)C1CC1)OCC ZINC000110783524 186324288 /nfs/dbraw/zinc/32/42/88/186324288.db2.gz KMALFYORZUEDLQ-GFCCVEGCSA-N 1 0 259.390 2.132 10 0 CEAERO CCOC(CCN1CC[NH+](CC(C)C)CC1)OCC ZINC000110785935 186324516 /nfs/dbraw/zinc/32/45/16/186324516.db2.gz XRLZLGOXHZDYBM-UHFFFAOYSA-N 1 0 272.433 2.049 10 0 CEAERO CCc1ccc(C(=O)NCC[C@H]2CCC[NH2+]C2)s1 ZINC000110791330 186324817 /nfs/dbraw/zinc/32/48/17/186324817.db2.gz LLMMDDBNEZQXEX-LLVKDONJSA-N 1 0 266.410 2.430 10 0 CEAERO Cc1cccc([C@@H](SCCS(C)(=O)=O)[C@H](C)[NH3+])c1 ZINC000111004435 186341650 /nfs/dbraw/zinc/34/16/50/186341650.db2.gz RZSQIFYADYWVIS-AAEUAGOBSA-N 1 0 287.450 2.161 10 0 CEAERO CC(C)[C@H]([NH2+][C@@H]1CCC(=O)NC1)c1cccs1 ZINC000111018738 186345170 /nfs/dbraw/zinc/34/51/70/186345170.db2.gz CAPSGCJBRLSWKM-MFKMUULPSA-N 1 0 252.383 2.313 10 0 CEAERO C[NH+](C)CC(C)(C)CNc1ccc(F)cc1C(N)=S ZINC000111029712 186346430 /nfs/dbraw/zinc/34/64/30/186346430.db2.gz IXGFJEKTRFUYAT-UHFFFAOYSA-N 1 0 283.416 2.460 10 0 CEAERO NC(=O)[C@@H]([NH2+]C1CCCCC1)c1cccc(F)c1F ZINC000111040351 186346973 /nfs/dbraw/zinc/34/69/73/186346973.db2.gz BNJNSWHMUTYYPZ-ZDUSSCGKSA-N 1 0 268.307 2.414 10 0 CEAERO CC(C)[C@@H](C[NH+](C)C)Nc1ccc(F)cc1C(N)=S ZINC000111031093 186347146 /nfs/dbraw/zinc/34/71/46/186347146.db2.gz RRKMLQWIBIQJKH-CYBMUJFWSA-N 1 0 283.416 2.458 10 0 CEAERO NC(=S)c1cc(F)ccc1NCC[NH+]1CCCCC1 ZINC000111031536 186347164 /nfs/dbraw/zinc/34/71/64/186347164.db2.gz KPDLIKIQCDPYIJ-UHFFFAOYSA-N 1 0 281.400 2.358 10 0 CEAERO CCCCCNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000130786774 365992722 /nfs/dbraw/zinc/99/27/22/365992722.db2.gz SLHZSNHZJWUNLM-STQMWFEESA-N 1 0 255.406 2.205 10 0 CEAERO Cc1c[nH+]ccc1N[C@H]1CC(=O)N(C2CCCCC2)C1=O ZINC000111042839 186347712 /nfs/dbraw/zinc/34/77/12/186347712.db2.gz ZWZBLVDXUUPBNG-AWEZNQCLSA-N 1 0 287.363 2.262 10 0 CEAERO Cc1c[nH+]ccc1N[C@@H]1CC(=O)N(C2CCCCC2)C1=O ZINC000111042835 186347716 /nfs/dbraw/zinc/34/77/16/186347716.db2.gz ZWZBLVDXUUPBNG-CQSZACIVSA-N 1 0 287.363 2.262 10 0 CEAERO O[C@H](C[NH2+]CC1CCOCC1)c1c(F)cccc1F ZINC000111162626 186363536 /nfs/dbraw/zinc/36/35/36/186363536.db2.gz MGKLKPQGEPGDMC-CYBMUJFWSA-N 1 0 271.307 2.014 10 0 CEAERO CC1CCC(CN)([N@H+](C)C[C@H]2CCCOC2)CC1 ZINC000111158777 186362220 /nfs/dbraw/zinc/36/22/20/186362220.db2.gz KSSLHBUABFGEMZ-SHARSMKWSA-N 1 0 254.418 2.252 10 0 CEAERO COc1ccc([C@@H]([C@@H](C)N)[N@H+](C)CC2CCOCC2)cc1 ZINC000111156249 186362296 /nfs/dbraw/zinc/36/22/96/186362296.db2.gz MBRFBOXSRHTNRD-CXAGYDPISA-N 1 0 292.423 2.442 10 0 CEAERO CCOc1cccc([C@@H](CN)[N@H+](C)CC2CCOCC2)c1 ZINC000111159316 186362930 /nfs/dbraw/zinc/36/29/30/186362930.db2.gz MHOPAEOYTFZRPQ-QGZVFWFLSA-N 1 0 292.423 2.444 10 0 CEAERO NC(=O)c1ccc(F)c(C[NH2+]C[C@@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000111086813 186351405 /nfs/dbraw/zinc/35/14/05/186351405.db2.gz BNFCFLVTSUHMEY-LOWVWBTDSA-N 1 0 276.355 2.450 10 0 CEAERO CCCOCCO[C@H]1COc2ccccc2[C@@H]1[NH2+]C ZINC000111108050 186353329 /nfs/dbraw/zinc/35/33/29/186353329.db2.gz IXXHZKYPYHSUHW-GJZGRUSLSA-N 1 0 265.353 2.151 10 0 CEAERO COC(C[NH2+][C@@H](C)Cc1c(F)cccc1F)OC ZINC000111112828 186353409 /nfs/dbraw/zinc/35/34/09/186353409.db2.gz JMOWRBCLYPBKQP-VIFPVBQESA-N 1 0 259.296 2.104 10 0 CEAERO CCOCCN(CC)c1ncc([C@H](C)[NH2+]C)s1 ZINC000111124543 186355185 /nfs/dbraw/zinc/35/51/85/186355185.db2.gz NFCHGQHXAZCWRV-JTQLQIEISA-N 1 0 257.403 2.286 10 0 CEAERO C[NH+](C)CCC[N@H+](C)CCCOc1ccc(C(=O)[O-])cc1 ZINC000111152322 186360084 /nfs/dbraw/zinc/36/00/84/186360084.db2.gz RGLYVQGIUVTWHM-UHFFFAOYSA-N 1 0 294.395 2.037 10 0 CEAERO C[N@H+](CC1CCOCC1)[C@@H]1CNc2ccccc2C1 ZINC000111164168 186364324 /nfs/dbraw/zinc/36/43/24/186364324.db2.gz UCTIUORKAHOYTG-HNNXBMFYSA-N 1 0 260.381 2.382 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)N(C)C[C@H]1CCCOC1 ZINC000111165732 186364395 /nfs/dbraw/zinc/36/43/95/186364395.db2.gz LMMBKXYUPHXNSP-CQSZACIVSA-N 1 0 284.444 2.417 10 0 CEAERO C[C@@H]1CCC(=O)[C@@H](C[N@H+](C)C[C@@H]2CCCOC2)C1 ZINC000111171089 186364710 /nfs/dbraw/zinc/36/47/10/186364710.db2.gz DEEMRHCSRLACOT-HZSPNIEDSA-N 1 0 253.386 2.350 10 0 CEAERO CCC[C@@]1(C(=O)N(C)C[C@H]2CCCOC2)CCC[NH2+]C1 ZINC000111173143 186364837 /nfs/dbraw/zinc/36/48/37/186364837.db2.gz YAXRJYCIVOSEJP-GDBMZVCRSA-N 1 0 282.428 2.041 10 0 CEAERO CCCC1(C(=O)N(C)CC2CCOCC2)CC[NH2+]CC1 ZINC000111174156 186365502 /nfs/dbraw/zinc/36/55/02/186365502.db2.gz XAMMXTUNVDRBKK-UHFFFAOYSA-N 1 0 282.428 2.041 10 0 CEAERO C[NH2+][C@@H](Cc1ncc[nH]1)[C@H]1CCOc2ccccc21 ZINC000111185549 186366307 /nfs/dbraw/zinc/36/63/07/186366307.db2.gz RNLPQYZALFNIJZ-AAEUAGOBSA-N 1 0 257.337 2.107 10 0 CEAERO CN(C[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)CC1CCOCC1 ZINC000111179396 186366842 /nfs/dbraw/zinc/36/68/42/186366842.db2.gz GSLBJXWBCNBDOX-XHSDSOJGSA-N 1 0 266.429 2.266 10 0 CEAERO CC[C@H]([NH3+])c1noc([C@@H]2CCOc3ccccc32)n1 ZINC000111189316 186367364 /nfs/dbraw/zinc/36/73/64/186367364.db2.gz GSKUCNOIEBSIQN-MNOVXSKESA-N 1 0 259.309 2.394 10 0 CEAERO CN(C)c1nnc(Sc2ccc(F)cc2C(N)=[NH2+])s1 ZINC000111315984 186396218 /nfs/dbraw/zinc/39/62/18/186396218.db2.gz WSLFRXXAFYTJDK-UHFFFAOYSA-N 1 0 297.384 2.178 10 0 CEAERO C[C@@H](c1cccs1)N(C)[C@@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111320946 186396593 /nfs/dbraw/zinc/39/65/93/186396593.db2.gz VYAFFVAYBGWDSK-XQQFMLRXSA-N 1 0 268.426 2.495 10 0 CEAERO CC(C)(C)C1CC[NH+]([C@H](CN)[C@H]2CCCOC2)CC1 ZINC000111321132 186396771 /nfs/dbraw/zinc/39/67/71/186396771.db2.gz OAEWMKOEABEZFH-DZGCQCFKSA-N 1 0 268.445 2.498 10 0 CEAERO CCN(c1cccc(F)c1)[C@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111321062 186396837 /nfs/dbraw/zinc/39/68/37/186396837.db2.gz LKHRKJCZBKPGTL-IUODEOHRSA-N 1 0 266.360 2.406 10 0 CEAERO C[NH2+]C[C@]1(CN(C)Cc2ccc(OC)cc2)CCCOC1 ZINC000111327234 186398526 /nfs/dbraw/zinc/39/85/26/186398526.db2.gz YAVHREAXCCJVKT-KRWDZBQOSA-N 1 0 292.423 2.143 10 0 CEAERO Cc1cc2ncc(C[NH2+][C@H](CC(C)C)CN(C)C)cn2n1 ZINC000111235312 186373121 /nfs/dbraw/zinc/37/31/21/186373121.db2.gz GFNIBBQKMMIOCX-OAHLLOKOSA-N 1 0 289.427 2.104 10 0 CEAERO CC(C)(C(N)=S)[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC000111234806 186373577 /nfs/dbraw/zinc/37/35/77/186373577.db2.gz RRYUUXGDMMLRKS-UHFFFAOYSA-N 1 0 295.427 2.008 10 0 CEAERO CC(C)CCc1noc([C@@]2(C(F)(F)F)CC[NH2+]C2)n1 ZINC000111240895 186374628 /nfs/dbraw/zinc/37/46/28/186374628.db2.gz NXPFEWUAVAQUAL-LLVKDONJSA-N 1 0 277.290 2.452 10 0 CEAERO CCOCc1ccccc1NC(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000111264304 186381167 /nfs/dbraw/zinc/38/11/67/186381167.db2.gz MBHCELHIIAZQME-WCQYABFASA-N 1 0 262.353 2.017 10 0 CEAERO CCC(=O)Nc1ccc(C)c(NC(=O)[C@@H]2C[NH2+]C[C@@H]2C)c1 ZINC000111264848 186381231 /nfs/dbraw/zinc/38/12/31/186381231.db2.gz ZWLVDAIJHZUSDC-WCQYABFASA-N 1 0 289.379 2.138 10 0 CEAERO CCOC(=O)Nc1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2C)cc1 ZINC000111265754 186381793 /nfs/dbraw/zinc/38/17/93/186381793.db2.gz YKOYUGOUHULCSP-GWCFXTLKSA-N 1 0 291.351 2.049 10 0 CEAERO CCc1ccc([C@H](C)NC(=O)[C@H]2C[NH2+]C[C@@H]2C)cc1 ZINC000111265159 186382119 /nfs/dbraw/zinc/38/21/19/186382119.db2.gz YKTZAEMEMQDABZ-HUBLWGQQSA-N 1 0 260.381 2.282 10 0 CEAERO Cc1cc([C@H](C)NC(=O)[C@H]2C[NH2+]C[C@@H]2C)c(C)s1 ZINC000111264380 186382125 /nfs/dbraw/zinc/38/21/25/186382125.db2.gz KZYZDJBRMAFMJX-FWDPORAESA-N 1 0 266.410 2.398 10 0 CEAERO COc1cc(Cl)c(NC(=O)[C@H]2C[NH2+]C[C@@H]2C)cc1OC ZINC000111265879 186382372 /nfs/dbraw/zinc/38/23/72/186382372.db2.gz JSGZIWPMJGZVKU-IUCAKERBSA-N 1 0 298.770 2.151 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc2c(O)cccc12 ZINC000111266537 186383285 /nfs/dbraw/zinc/38/32/85/186383285.db2.gz IWRRBOQVRXPIPH-GWCFXTLKSA-N 1 0 270.332 2.339 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000111271406 186383593 /nfs/dbraw/zinc/38/35/93/186383593.db2.gz GDUWVIKIDIHAOJ-INRQWTSDSA-N 1 0 276.424 2.175 10 0 CEAERO Cc1ccc(CN(C(=O)[C@H]2C[NH2+]C[C@H]2C)C(C)C)o1 ZINC000111269316 186384288 /nfs/dbraw/zinc/38/42/88/186384288.db2.gz OUTYQVYEKZDAQD-RISCZKNCSA-N 1 0 264.369 2.181 10 0 CEAERO CCC[NH2+][C@H](COC)Cc1nc([C@@H](C)CC)no1 ZINC000111275529 186386964 /nfs/dbraw/zinc/38/69/64/186386964.db2.gz FVHFFLZJDGKGRG-QWRGUYRKSA-N 1 0 255.362 2.140 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CNc1ncnc(Cl)c1C ZINC000111295943 186392124 /nfs/dbraw/zinc/39/21/24/186392124.db2.gz NZWRVXONNINSQD-JTQLQIEISA-N 1 0 254.765 2.335 10 0 CEAERO Cc1c(Cl)ncnc1N[C@H](C)C[NH+]1CCCC1 ZINC000111297504 186392334 /nfs/dbraw/zinc/39/23/34/186392334.db2.gz LNTSWDDZIFOYNH-SECBINFHSA-N 1 0 254.765 2.335 10 0 CEAERO CN(C[C@H]1CCCO1)c1c(F)cc(CC[NH3+])cc1F ZINC000111484334 186423161 /nfs/dbraw/zinc/42/31/61/186423161.db2.gz ZKSNGXFRGWDXDA-LLVKDONJSA-N 1 0 270.323 2.081 10 0 CEAERO CC[C@H]([NH3+])Cc1c(C)nn(C)c1N(C)[C@@H](C)C1CC1 ZINC000111493992 186423769 /nfs/dbraw/zinc/42/37/69/186423769.db2.gz UBFFUMBYRSZSQZ-AAEUAGOBSA-N 1 0 264.417 2.243 10 0 CEAERO Cc1cc(C[C@@H](C)[NH3+])ccc1N(C)C[C@@H]1CCCO1 ZINC000111505316 186425319 /nfs/dbraw/zinc/42/53/19/186425319.db2.gz LAZZVRCHPUSDMJ-HIFRSBDPSA-N 1 0 262.397 2.500 10 0 CEAERO C[C@H]1CC[C@H](C(=O)NCC2(C)CCCC2)C[C@@H]1[NH3+] ZINC000111624558 186433029 /nfs/dbraw/zinc/43/30/29/186433029.db2.gz KAWJBKVWXQBPSX-AVGNSLFASA-N 1 0 252.402 2.446 10 0 CEAERO Cn1ccnc1CN1CCC[C@H](C[NH2+]C(C)(C)C)C1 ZINC000111699860 186446095 /nfs/dbraw/zinc/44/60/95/186446095.db2.gz KOTXAKBGHBGEIA-CYBMUJFWSA-N 1 0 264.417 2.020 10 0 CEAERO C[NH2+][C@H](C)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000111714188 186449967 /nfs/dbraw/zinc/44/99/67/186449967.db2.gz XZBWSCDZXSUANM-KGLIPLIRSA-N 1 0 296.436 2.004 10 0 CEAERO CC(C)[NH2+]C[C@@H]1CCCN1c1ncc(Br)cn1 ZINC000111751417 186452022 /nfs/dbraw/zinc/45/20/22/186452022.db2.gz SFHDOWAGTVIVCF-NSHDSACASA-N 1 0 299.216 2.206 10 0 CEAERO CC(C)C[C@@H](C[NH3+])Nc1cc(Cl)ccc1C(N)=O ZINC000111830587 186461021 /nfs/dbraw/zinc/46/10/21/186461021.db2.gz SBAADVGMOSIKAA-JTQLQIEISA-N 1 0 269.776 2.224 10 0 CEAERO Cc1ccc(F)c(C(=O)N[C@@H](C[NH3+])Cc2ccccc2)c1 ZINC000111365917 186406302 /nfs/dbraw/zinc/40/63/02/186406302.db2.gz UULFPGQPPCRNKO-CQSZACIVSA-N 1 0 286.350 2.434 10 0 CEAERO [NH3+][C@H]1Cc2ccccc2[C@H]1NC(=O)c1c(F)cccc1F ZINC000111367110 186406738 /nfs/dbraw/zinc/40/67/38/186406738.db2.gz LKZDFVIOPAGDHY-DZGCQCFKSA-N 1 0 288.297 2.319 10 0 CEAERO [NH3+]C[C@H](Cc1ccccc1)NC(=O)Oc1ccccc1 ZINC000111371525 186408369 /nfs/dbraw/zinc/40/83/69/186408369.db2.gz FCCKDQRCYKSUQY-AWEZNQCLSA-N 1 0 270.332 2.345 10 0 CEAERO CO[C@@H](C(=O)N1CCC[C@H]1CCC[NH3+])c1ccccc1 ZINC000111370884 186408445 /nfs/dbraw/zinc/40/84/45/186408445.db2.gz DBGAJCCGCXMCJQ-HUUCEWRRSA-N 1 0 276.380 2.104 10 0 CEAERO Cc1ccc(S(=O)(=O)N[C@@]2(C[NH3+])CCC[C@H](C)C2)cc1 ZINC000111373887 186409184 /nfs/dbraw/zinc/40/91/84/186409184.db2.gz AETUHAOTDUWYLI-ZFWWWQNUSA-N 1 0 296.436 2.181 10 0 CEAERO CCN(CC)C(=O)c1cc(N[C@@H](C[NH3+])CC(C)C)ccn1 ZINC000111377203 186409565 /nfs/dbraw/zinc/40/95/65/186409565.db2.gz CPCRHTWPLGAZJH-CQSZACIVSA-N 1 0 292.427 2.349 10 0 CEAERO CCC[C@@]1(C(=O)NCc2cc(F)ccc2F)CC[NH2+]C1 ZINC000111406202 186414551 /nfs/dbraw/zinc/41/45/51/186414551.db2.gz WACDIFXYJIBTRW-OAHLLOKOSA-N 1 0 282.334 2.361 10 0 CEAERO Cc1ccc(CC(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1C ZINC000061883727 539811641 /nfs/dbraw/zinc/81/16/41/539811641.db2.gz MPLVRASJKXIIGN-CABCVRRESA-N 1 0 260.381 2.090 10 0 CEAERO CC1(C)CCC[N@@H+]1C[C@@H](O)COCc1ccccc1 ZINC000070069774 363026166 /nfs/dbraw/zinc/02/61/66/363026166.db2.gz ITFZHFRBNDPLOH-OAHLLOKOSA-N 1 0 263.381 2.439 10 0 CEAERO C[C@@H]([NH3+])CCC(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000070315945 363070865 /nfs/dbraw/zinc/07/08/65/363070865.db2.gz IFOHAFVFYCZMJF-KXUCPTDWSA-N 1 0 266.307 2.351 10 0 CEAERO CC[N@H+](C[C@@H](O)COCc1ccccc1)C(C)C ZINC000070197063 363053433 /nfs/dbraw/zinc/05/34/33/363053433.db2.gz UAUNPZDFXZEEOF-OAHLLOKOSA-N 1 0 251.370 2.294 10 0 CEAERO C[C@H]1CC[C@@H](Nc2ncccc2Br)C[NH2+]1 ZINC000630091401 351615357 /nfs/dbraw/zinc/61/53/57/351615357.db2.gz GSDKJBDPPLPKLZ-DTWKUNHWSA-N 1 0 270.174 2.397 10 0 CEAERO CCC[C@H](C(=O)N[C@H](C)CC(C)(C)OC)[NH+](C)C ZINC000120286410 186889832 /nfs/dbraw/zinc/88/98/32/186889832.db2.gz LTFFDFSAENWEHM-VXGBXAGGSA-N 1 0 258.406 2.037 10 0 CEAERO [NH3+][C@@H]1CCCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1 ZINC000070460131 363087327 /nfs/dbraw/zinc/08/73/27/363087327.db2.gz JRHMZXNFTMWEKJ-GFCCVEGCSA-N 1 0 260.316 2.143 10 0 CEAERO CSC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000131428441 366053069 /nfs/dbraw/zinc/05/30/69/366053069.db2.gz XLQGCUXZNNBWES-TZMCWYRMSA-N 1 0 280.437 2.027 10 0 CEAERO CCCc1nc(CN2C[C@H](OC)C[C@@]2(C)C[NH3+])cs1 ZINC000630361273 351712506 /nfs/dbraw/zinc/71/25/06/351712506.db2.gz IOCYEPMKBUFWBU-OCCSQVGLSA-N 1 0 283.441 2.034 10 0 CEAERO Cc1sc2nc(C)nc(NCCOCCC[NH3+])c2c1C ZINC000630534454 351775277 /nfs/dbraw/zinc/77/52/77/351775277.db2.gz LFNQVCKWIHTMSD-UHFFFAOYSA-N 1 0 294.424 2.394 10 0 CEAERO C[NH2+]CCOCCNc1ncc(Cl)cc1Cl ZINC000630527706 351774061 /nfs/dbraw/zinc/77/40/61/351774061.db2.gz SCXSMUJNOLYODT-UHFFFAOYSA-N 1 0 264.156 2.036 10 0 CEAERO c1cnn(CC2CC[NH+](Cc3cncs3)CC2)c1 ZINC000122057293 187012888 /nfs/dbraw/zinc/01/28/88/187012888.db2.gz MNCRIDSAGKIWMF-UHFFFAOYSA-N 1 0 262.382 2.252 10 0 CEAERO Cc1ccc(C(=O)N2CCC[C@H]([NH3+])C2)cc1Br ZINC000123063164 187069140 /nfs/dbraw/zinc/06/91/40/187069140.db2.gz VOMBZYDFRGNHJI-NSHDSACASA-N 1 0 297.196 2.321 10 0 CEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H](C)C1CCOCC1 ZINC000123072223 187069612 /nfs/dbraw/zinc/06/96/12/187069612.db2.gz DGBDHYHDQBSONU-HIFRSBDPSA-N 1 0 284.444 2.142 10 0 CEAERO CC[C@](C)(O)C[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000123299782 187084016 /nfs/dbraw/zinc/08/40/16/187084016.db2.gz PRHSKVLXRAEZPB-KRWDZBQOSA-N 1 0 290.407 2.042 10 0 CEAERO CCCC[C@H](C[NH3+])Nc1ccc(S(C)(=O)=O)cc1 ZINC000130539717 187502675 /nfs/dbraw/zinc/50/26/75/187502675.db2.gz TYMFXSPTRNPMBZ-GFCCVEGCSA-N 1 0 270.398 2.020 10 0 CEAERO O=C(NC[C@@H]1CC[NH2+]C1)Nc1cccc(C(F)(F)F)c1 ZINC000131863427 187592274 /nfs/dbraw/zinc/59/22/74/187592274.db2.gz LINLJAJBPKJAGI-SECBINFHSA-N 1 0 287.285 2.436 10 0 CEAERO CC(C)(C)OC(=O)N1[C@H](C[NH3+])CC[C@H]1C(F)(F)F ZINC000071372640 363108577 /nfs/dbraw/zinc/10/85/77/363108577.db2.gz GQOHUHQEYJOQJV-YUMQZZPRSA-N 1 0 268.279 2.276 10 0 CEAERO [NH3+]CCCNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000237783625 539868430 /nfs/dbraw/zinc/86/84/30/539868430.db2.gz BGIHYTMZHHWSOA-RKDXNWHRSA-N 1 0 270.735 2.048 10 0 CEAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1ccc(F)cn1 ZINC000271608871 191239057 /nfs/dbraw/zinc/23/90/57/191239057.db2.gz VLWPTGQMPXMCEE-MJVIPROJSA-N 1 0 252.333 2.422 10 0 CEAERO CCC[C@@H](C(=O)NCCc1ccc(Cl)nc1)[NH+](C)C ZINC000154836357 188164899 /nfs/dbraw/zinc/16/48/99/188164899.db2.gz ATOFSJMVAVPZLG-LBPRGKRZSA-N 1 0 283.803 2.124 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Cc2ccccc2F)C1 ZINC000155563571 188213888 /nfs/dbraw/zinc/21/38/88/188213888.db2.gz BVXZMSLJSOSMCF-DOMZBBRYSA-N 1 0 278.371 2.213 10 0 CEAERO CCC[C@H](C(=O)Nc1cccc(CC(=O)OC)c1)[NH+](C)C ZINC000156106995 188243382 /nfs/dbraw/zinc/24/33/82/188243382.db2.gz PQOPBQHPOPSWKL-CQSZACIVSA-N 1 0 292.379 2.071 10 0 CEAERO CCc1nc(CC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cs1 ZINC000155719144 188223129 /nfs/dbraw/zinc/22/31/29/188223129.db2.gz HPAXGHAMFKIUQV-WCQYABFASA-N 1 0 295.452 2.093 10 0 CEAERO CC[C@@H]1CN(C(=O)Nc2ccsc2)CC[N@@H+]1CCOC ZINC000157265085 188307155 /nfs/dbraw/zinc/30/71/55/188307155.db2.gz XKFLOCABBCSTKZ-CYBMUJFWSA-N 1 0 297.424 2.323 10 0 CEAERO Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000158379571 188372484 /nfs/dbraw/zinc/37/24/84/188372484.db2.gz HMRJEDOOVFJOKC-AEGPPILISA-N 1 0 258.365 2.048 10 0 CEAERO C[C@H]([NH3+])C(=O)NCCc1cccc(OCc2ccccc2)c1 ZINC000158132779 188359508 /nfs/dbraw/zinc/35/95/08/188359508.db2.gz KRFISTOZNRYVNK-AWEZNQCLSA-N 1 0 298.386 2.272 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2coc(-c3ccccc3)n2)C1 ZINC000158684534 188389360 /nfs/dbraw/zinc/38/93/60/188389360.db2.gz FKICXNHAJRSQQV-CYBMUJFWSA-N 1 0 285.347 2.118 10 0 CEAERO Nc1ccc2c(c1)C=[NH+]CCN2C(=O)COc1ccccc1 ZINC000073642411 363237432 /nfs/dbraw/zinc/23/74/32/363237432.db2.gz KPLGSPFTTZPQPX-UHFFFAOYSA-N 1 0 295.342 2.113 10 0 CEAERO O=C1NCCCC[C@@H]1[NH2+][C@@H]1COc2ccccc2C1 ZINC000328667276 202001276 /nfs/dbraw/zinc/00/12/76/202001276.db2.gz KRBAPEVSDZLSSV-STQMWFEESA-N 1 0 260.337 2.089 10 0 CEAERO FC(F)(F)c1ccnc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000132462585 366146486 /nfs/dbraw/zinc/14/64/86/366146486.db2.gz BFGONWCRPJEQRS-MNOVXSKESA-N 1 0 271.286 2.431 10 0 CEAERO CCC[C@H](C(=O)N[C@@H](C)c1nc2ccccc2[nH]1)[NH+](C)C ZINC000133161831 366201136 /nfs/dbraw/zinc/20/11/36/366201136.db2.gz YHUCVNPPUGZLIS-SMDDNHRTSA-N 1 0 288.395 2.470 10 0 CEAERO CNC(=O)[C@@H]([NH2+]Cc1ccc2ccccc2n1)C(C)C ZINC000178952141 542253185 /nfs/dbraw/zinc/25/31/85/542253185.db2.gz FARCABRJXUOJIY-HNNXBMFYSA-N 1 0 271.364 2.095 10 0 CEAERO Cc1ncc(C2=C[C@H]([NH3+])CN(C(=O)OC(C)(C)C)C2)s1 ZINC000675077649 540118374 /nfs/dbraw/zinc/11/83/74/540118374.db2.gz GVIREBKCPQNDIB-NSHDSACASA-N 1 0 295.408 2.413 10 0 CEAERO Cc1ncsc1C1=C[C@H]([NH3+])CN(C(=O)OC(C)(C)C)C1 ZINC000675079102 540119589 /nfs/dbraw/zinc/11/95/89/540119589.db2.gz WHQDSLDXCDJZDM-NSHDSACASA-N 1 0 295.408 2.413 10 0 CEAERO [NH3+]CC[C@@H]1CCC[C@@H](C(F)(F)F)N1C(=O)C1CC1 ZINC000675072475 540114112 /nfs/dbraw/zinc/11/41/12/540114112.db2.gz CVFFWJKSQWDNSD-UWVGGRQHSA-N 1 0 264.291 2.057 10 0 CEAERO CC(C)NC(=O)N1[C@@H](CC[NH3+])CCC[C@H]1C(F)(F)F ZINC000675072700 540114406 /nfs/dbraw/zinc/11/44/06/540114406.db2.gz GIAUNFGMUBBSFV-ZJUUUORDSA-N 1 0 281.322 2.239 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CCC[C@H]1C[NH3+])c1cccs1 ZINC000160730817 540120914 /nfs/dbraw/zinc/12/09/14/540120914.db2.gz OZTBQVROAHMSSS-GARJFASQSA-N 1 0 252.383 2.300 10 0 CEAERO OCCC[C@H]1CCC[N@@H+]1CCOCc1ccccc1 ZINC000380928802 540136932 /nfs/dbraw/zinc/13/69/32/540136932.db2.gz DWESKTOAAZSAIJ-MRXNPFEDSA-N 1 0 263.381 2.440 10 0 CEAERO O[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H](N3CCCCC3)C2)C1 ZINC000381929600 540145530 /nfs/dbraw/zinc/14/55/30/540145530.db2.gz WOVQVAVJRDSBMB-ARFHVFGLSA-N 1 0 266.429 2.098 10 0 CEAERO COc1ccc(N(C)C(=O)CC[C@H]2CCC[NH2+]2)cc1 ZINC000382240080 540147181 /nfs/dbraw/zinc/14/71/81/540147181.db2.gz XQWIGNJVNIHKMT-GFCCVEGCSA-N 1 0 262.353 2.190 10 0 CEAERO [NH3+]C[C@]12CCC[C@H]1CN(c1nc(C(F)(F)F)ns1)C2 ZINC000382539993 540148864 /nfs/dbraw/zinc/14/88/64/540148864.db2.gz XZWQIHSQJXABSA-XVKPBYJWSA-N 1 0 292.330 2.122 10 0 CEAERO CC1(C)CCC[C@@H]([NH2+][C@H]2CCCN(CCO)C2)CC1 ZINC000384670186 540212847 /nfs/dbraw/zinc/21/28/47/540212847.db2.gz CWAJSYOJAHIVFM-CABCVRRESA-N 1 0 268.445 2.392 10 0 CEAERO [NH3+]CCNc1cc(Cl)ccc1I ZINC000575478220 366291965 /nfs/dbraw/zinc/29/19/65/366291965.db2.gz KJLNIOHNURZWIM-UHFFFAOYSA-N 1 0 296.539 2.315 10 0 CEAERO C[NH2+]C[C@H]1CCCN(c2nc3ccccc3n2C)C1 ZINC000079047863 363569544 /nfs/dbraw/zinc/56/95/44/363569544.db2.gz DWDFNSFGZFUMJZ-GFCCVEGCSA-N 1 0 258.369 2.009 10 0 CEAERO CCCCOC[C@@H](O)C[NH2+][C@@H](C)c1c(C)noc1C ZINC000227894181 538769357 /nfs/dbraw/zinc/76/93/57/538769357.db2.gz PVGCPGWXNJPHEH-GWCFXTLKSA-N 1 0 270.373 2.120 10 0 CEAERO CCCN(CC[NH+](CC)CC)Cc1nnc(C(C)C)n1C ZINC000122533468 283235798 /nfs/dbraw/zinc/23/57/98/283235798.db2.gz KOEVTIKHYBJJGV-UHFFFAOYSA-N 1 0 295.475 2.492 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]([NH3+])CCC[C@@H]2C1 ZINC000238115333 538831954 /nfs/dbraw/zinc/83/19/54/538831954.db2.gz VIKVXDCBECSADD-GRYCIOLGSA-N 1 0 254.374 2.371 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)c1cc2ccc(F)cc2s1 ZINC000310641568 540348796 /nfs/dbraw/zinc/34/87/96/540348796.db2.gz BQVGEJBVGWMSAB-MRVPVSSYSA-N 1 0 266.341 2.378 10 0 CEAERO CSc1ccccc1NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079513617 363611744 /nfs/dbraw/zinc/61/17/44/363611744.db2.gz IGWLQYDAXFGDMR-CYBMUJFWSA-N 1 0 250.367 2.489 10 0 CEAERO COc1ccc(OC)c(C[NH2+][C@@H]2CCCCC[C@H]2O)c1 ZINC000135658555 366464975 /nfs/dbraw/zinc/46/49/75/366464975.db2.gz AQQCCMCTTGJTDP-HUUCEWRRSA-N 1 0 279.380 2.487 10 0 CEAERO CC[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)c1ccsc1 ZINC000296539431 199925737 /nfs/dbraw/zinc/92/57/37/199925737.db2.gz SECLMSPSQSOBKO-USWWRNFRSA-N 1 0 252.383 2.456 10 0 CEAERO Cc1ccc(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)c2cccnc12 ZINC000188709230 540480057 /nfs/dbraw/zinc/48/00/57/540480057.db2.gz KPTLWXZERFZZEH-GXFFZTMASA-N 1 0 273.311 2.182 10 0 CEAERO Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000077730130 540554289 /nfs/dbraw/zinc/55/42/89/540554289.db2.gz XKURZOYMAWRAPS-OAHLLOKOSA-N 1 0 292.423 2.466 10 0 CEAERO C/C=C(\C)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000685939265 540635065 /nfs/dbraw/zinc/63/50/65/540635065.db2.gz MUAPNNYJZOBIBH-IPAKFSETSA-N 1 0 276.355 2.354 10 0 CEAERO CCCN1CCC(=O)[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000685953450 540648907 /nfs/dbraw/zinc/64/89/07/540648907.db2.gz HFQAXBOIFIWIJP-MRXNPFEDSA-N 1 0 296.411 2.441 10 0 CEAERO CC[NH2+]Cc1cnc(C(Cl)(Cl)Cl)nc1 ZINC000685956200 540651325 /nfs/dbraw/zinc/65/13/25/540651325.db2.gz NSXMPRIVPYJNFO-UHFFFAOYSA-N 1 0 254.548 2.413 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1cccc2c1CCC2 ZINC000157595746 283481226 /nfs/dbraw/zinc/48/12/26/283481226.db2.gz RFGLEBNXSOLROM-SWLSCSKDSA-N 1 0 258.365 2.033 10 0 CEAERO CN1CC[NH+]([C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000685961516 540662737 /nfs/dbraw/zinc/66/27/37/540662737.db2.gz SIPIXKVIJVFEBX-INIZCTEOSA-N 1 0 297.443 2.023 10 0 CEAERO CC(C)(C)OC(=O)NC[C@@H]([NH3+])c1cccc(F)c1 ZINC000146763283 366574236 /nfs/dbraw/zinc/57/42/36/366574236.db2.gz QFUQQBUPPLTVQF-LLVKDONJSA-N 1 0 254.305 2.350 10 0 CEAERO Nc1ccc(S[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000148264681 366580196 /nfs/dbraw/zinc/58/01/96/366580196.db2.gz JOFSAVLLVAEWEV-QMMMGPOBSA-N 1 0 273.199 2.485 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)Cc1ccc(O)cc1 ZINC000150756725 366595405 /nfs/dbraw/zinc/59/54/05/366595405.db2.gz GWRPTKGNUUIZNY-CQSZACIVSA-N 1 0 278.396 2.027 10 0 CEAERO Cc1cncc(/C=C/C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1 ZINC000151262285 366635454 /nfs/dbraw/zinc/63/54/54/366635454.db2.gz WBDSHMLNYFTBAC-FYCOFBDGSA-N 1 0 289.423 2.496 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)C1 ZINC000151648934 366657664 /nfs/dbraw/zinc/65/76/64/366657664.db2.gz ICXGHVAXVAUYCD-CQSZACIVSA-N 1 0 299.378 2.245 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(Cl)o1 ZINC000176997106 189020015 /nfs/dbraw/zinc/02/00/15/189020015.db2.gz COTKVFNXBUZKSK-JTQLQIEISA-N 1 0 270.760 2.489 10 0 CEAERO CCc1nccn1[C@H]1CCC[N@H+](Cc2cncn2C)C1 ZINC000177058533 189025619 /nfs/dbraw/zinc/02/56/19/189025619.db2.gz RMCGLDWFIQKNEF-ZDUSSCGKSA-N 1 0 273.384 2.016 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)N1CCc2ccsc2C1 ZINC000571461009 299311061 /nfs/dbraw/zinc/31/10/61/299311061.db2.gz DWFIDQYFMKXBEH-LLVKDONJSA-N 1 0 264.394 2.023 10 0 CEAERO CCC[C@@H](C(=O)N(C)Cc1ccccc1OC)[NH+](C)C ZINC000179105233 189170062 /nfs/dbraw/zinc/17/00/62/189170062.db2.gz IFSMDDGDBAKNPH-AWEZNQCLSA-N 1 0 278.396 2.384 10 0 CEAERO CCC[C@@H](C(=O)Nc1cc(C(=O)OC)ccc1C)[NH+](C)C ZINC000179333346 189186696 /nfs/dbraw/zinc/18/66/96/189186696.db2.gz QLIGWCLVGGGXPP-AWEZNQCLSA-N 1 0 292.379 2.450 10 0 CEAERO [NH3+][C@@H]1CC[C@H]2CN(c3ccc4ccccc4n3)C[C@H]12 ZINC000261580919 283601040 /nfs/dbraw/zinc/60/10/40/283601040.db2.gz FUAPJBWEXOKKCE-MELADBBJSA-N 1 0 253.349 2.408 10 0 CEAERO CC(C)n1cc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)cn1 ZINC000179808080 189221250 /nfs/dbraw/zinc/22/12/50/189221250.db2.gz MRPCSWUOQYYHKP-AWEZNQCLSA-N 1 0 273.384 2.187 10 0 CEAERO Cc1ccc(C[N@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)c(C)c1 ZINC000180230723 189245207 /nfs/dbraw/zinc/24/52/07/189245207.db2.gz ZNIQFVYKLJVEMK-FUHWJXTLSA-N 1 0 288.435 2.456 10 0 CEAERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3ncnn3C2)s1 ZINC000180596091 189263871 /nfs/dbraw/zinc/26/38/71/189263871.db2.gz FVOXRPUUHKFCMC-MNOVXSKESA-N 1 0 262.382 2.314 10 0 CEAERO CCC[C@@H]1CN(C(=O)N[C@H](CC(C)C)C[NH+](C)C)CCO1 ZINC000120590933 283632865 /nfs/dbraw/zinc/63/28/65/283632865.db2.gz JVBKQVJGHDZWOG-HUUCEWRRSA-N 1 0 299.459 2.173 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)N[C@H](C)c1nc2ccccc2n1CC ZINC000236996885 370673693 /nfs/dbraw/zinc/67/36/93/370673693.db2.gz ZQUBFOGVUJFVGQ-VXGBXAGGSA-N 1 0 288.395 2.361 10 0 CEAERO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)CC3CC3)C2=O)n(C)n1 ZINC000182335803 189320860 /nfs/dbraw/zinc/32/08/60/189320860.db2.gz VAKMPGKUWLGGBQ-RISCZKNCSA-N 1 0 290.411 2.002 10 0 CEAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CCc1ccncc1 ZINC000083704520 363785030 /nfs/dbraw/zinc/78/50/30/363785030.db2.gz PLDZFUSPCMKLGZ-GOEBONIOSA-N 1 0 259.397 2.183 10 0 CEAERO CC[C@](C)(O)C[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000154523998 366777912 /nfs/dbraw/zinc/77/79/12/366777912.db2.gz KVCITUMBYWEKPY-DOMZBBRYSA-N 1 0 274.368 2.079 10 0 CEAERO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc1ccccc1)[C@H]1CCCO1 ZINC000183104642 189346719 /nfs/dbraw/zinc/34/67/19/189346719.db2.gz YRUSQSJLNKSCBK-IJEWVQPXSA-N 1 0 290.407 2.191 10 0 CEAERO CCOc1ccccc1NC(=O)C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000183173265 189348819 /nfs/dbraw/zinc/34/88/19/189348819.db2.gz XOZKSYRFNABJGJ-TZMCWYRMSA-N 1 0 292.379 2.181 10 0 CEAERO Cc1cc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc(=O)[nH]1 ZINC000183499433 189360294 /nfs/dbraw/zinc/36/02/94/189360294.db2.gz HUOSYKDZOUHWGK-HNNXBMFYSA-N 1 0 299.374 2.128 10 0 CEAERO CCCNC(=O)CNc1cc[nH+]c2c(C)cccc12 ZINC000301739826 201169695 /nfs/dbraw/zinc/16/96/95/201169695.db2.gz TXMVRUWTTWAKTR-UHFFFAOYSA-N 1 0 257.337 2.481 10 0 CEAERO Cc1ccc([C@H](C)[NH2+]Cc2ccc(S(N)(=O)=O)cc2)o1 ZINC000019910260 361567445 /nfs/dbraw/zinc/56/74/45/361567445.db2.gz YPBJAHYMEHNQQT-NSHDSACASA-N 1 0 294.376 2.086 10 0 CEAERO [NH3+]C[C@@H]1CCCN1CCOc1ccc(Cl)cc1 ZINC000019933336 361568677 /nfs/dbraw/zinc/56/86/77/361568677.db2.gz CZSKEZPJKBXMJI-LBPRGKRZSA-N 1 0 254.761 2.142 10 0 CEAERO C[C@@H]1C[C@@H]([NH2+]CCN2CCOCC2)CC(C)(C)C1 ZINC000019954881 361570665 /nfs/dbraw/zinc/57/06/65/361570665.db2.gz UXBQSTUDMQNZHQ-ZIAGYGMSSA-N 1 0 254.418 2.123 10 0 CEAERO O=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1CCC[NH2+]C1 ZINC000019411370 361532389 /nfs/dbraw/zinc/53/23/89/361532389.db2.gz JUKDKFYFBDQNSD-IXUJDMMCSA-N 1 0 262.397 2.071 10 0 CEAERO C[C@H]([NH2+]CCN1CCOCC1)c1ccc(F)c(Cl)c1 ZINC000020078474 361577782 /nfs/dbraw/zinc/57/77/82/361577782.db2.gz FGWWSQHPMCBTNQ-NSHDSACASA-N 1 0 286.778 2.462 10 0 CEAERO CC(C)[NH2+]C[C@@H](O)COc1cccc2cc(O)ccc21 ZINC000026837665 361645675 /nfs/dbraw/zinc/64/56/75/361645675.db2.gz LMAJNTFMXMHOBQ-CQSZACIVSA-N 1 0 275.348 2.283 10 0 CEAERO CC[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(F)cc1 ZINC000084222114 363803513 /nfs/dbraw/zinc/80/35/13/363803513.db2.gz XTRWKWNANKEGMI-GJZGRUSLSA-N 1 0 266.360 2.197 10 0 CEAERO OC1CC(C[NH2+]Cc2ccc(Br)cc2F)C1 ZINC000084446986 363811013 /nfs/dbraw/zinc/81/10/13/363811013.db2.gz IGVYXKGDIFONIZ-UHFFFAOYSA-N 1 0 288.160 2.449 10 0 CEAERO CCc1nsc(NCCC[NH2+]Cc2cccnc2)n1 ZINC000087642620 363865634 /nfs/dbraw/zinc/86/56/34/363865634.db2.gz ABULMDNYNMCFCM-UHFFFAOYSA-N 1 0 277.397 2.087 10 0 CEAERO CC(C)(C)OC(=O)NC[C@H]([NH3+])c1nccc2[nH]ccc21 ZINC000089220744 363949962 /nfs/dbraw/zinc/94/99/62/363949962.db2.gz CEIOTVMNWYBRIS-JTQLQIEISA-N 1 0 276.340 2.087 10 0 CEAERO CCc1noc(C)c1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000093093196 364141916 /nfs/dbraw/zinc/14/19/16/364141916.db2.gz BBMORERJNXJTAD-JQWIXIFHSA-N 1 0 292.383 2.246 10 0 CEAERO C[C@H](NC(=O)[C@H]1CC[NH2+]C1)c1ccc(F)cc1Cl ZINC000237527174 370730145 /nfs/dbraw/zinc/73/01/45/370730145.db2.gz WJODJWSVZFJZEJ-IUCAKERBSA-N 1 0 270.735 2.266 10 0 CEAERO CC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(OCC(=O)OC)cc1 ZINC000189207851 189525824 /nfs/dbraw/zinc/52/58/24/189525824.db2.gz MCSHBBZRVCMWTI-LRDDRELGSA-N 1 0 295.379 2.050 10 0 CEAERO O=C(CC[C@H]1CCC[NH2+]1)NC[C@H]1CCCC12CC2 ZINC000638794202 370755857 /nfs/dbraw/zinc/75/58/57/370755857.db2.gz BJNHJLAMQJWMAB-CHWSQXEVSA-N 1 0 250.386 2.215 10 0 CEAERO [NH3+][C@H]1CC[C@H](C(=O)Nc2nc(-c3ccccn3)cs2)C1 ZINC000237904838 370758429 /nfs/dbraw/zinc/75/84/29/370758429.db2.gz ZYXXCSGFAKWACY-UWVGGRQHSA-N 1 0 288.376 2.271 10 0 CEAERO COc1cc(N[C@H]2CC[NH2+]C2)c(OC)cc1Cl ZINC000094074116 364250924 /nfs/dbraw/zinc/25/09/24/364250924.db2.gz AJUTZSHIKRMUCE-QMMMGPOBSA-N 1 0 256.733 2.131 10 0 CEAERO CC1(C)CCCC[C@H]1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000094328066 364265261 /nfs/dbraw/zinc/26/52/61/364265261.db2.gz UIPGNSSHDQSWIJ-CHWSQXEVSA-N 1 0 252.402 2.461 10 0 CEAERO [NH3+][C@@H]1CC[C@H](C(=O)N(CCC(F)(F)F)CC2CC2)C1 ZINC000237993247 370765983 /nfs/dbraw/zinc/76/59/83/370765983.db2.gz DXOCBCOYUTTZDC-WDEREUQCSA-N 1 0 278.318 2.305 10 0 CEAERO [NH3+][C@H]1CCC[C@@H](C(=O)NCc2ccccc2-n2cccn2)C1 ZINC000238016761 370766529 /nfs/dbraw/zinc/76/65/29/370766529.db2.gz FAVFBSPDBWCWKZ-HIFRSBDPSA-N 1 0 298.390 2.006 10 0 CEAERO Clc1ccc(OCCC[C@H]2CCC[NH2+]C2)nn1 ZINC000095069974 364330273 /nfs/dbraw/zinc/33/02/73/364330273.db2.gz MEGMLCZNJIDZQW-SNVBAGLBSA-N 1 0 255.749 2.289 10 0 CEAERO Clc1nccnc1COCC[C@@H]1CCCC[NH2+]1 ZINC000095070392 364330862 /nfs/dbraw/zinc/33/08/62/364330862.db2.gz RRQFHAZJIHKZSC-JTQLQIEISA-N 1 0 255.749 2.179 10 0 CEAERO Clc1nc2ccccc2nc1OC[C@@H]1CC[NH2+]C1 ZINC000095070470 364331169 /nfs/dbraw/zinc/33/11/69/364331169.db2.gz ULDFCKCVKJERAZ-SECBINFHSA-N 1 0 263.728 2.272 10 0 CEAERO CN(C[C@H]1CCCC[NH2+]1)c1ccc(Br)cn1 ZINC000095070785 364331290 /nfs/dbraw/zinc/33/12/90/364331290.db2.gz JCJBJMQPNOJUHY-LLVKDONJSA-N 1 0 284.201 2.422 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1NCc1ccc(Br)nc1 ZINC000095072289 364332356 /nfs/dbraw/zinc/33/23/56/364332356.db2.gz NIEWQNVAXKUNHG-GHMZBOCLSA-N 1 0 284.201 2.204 10 0 CEAERO C[NH2+][C@]1(C)CCCN(C(=O)OCc2ccccc2)C1 ZINC000095075747 364333493 /nfs/dbraw/zinc/33/34/93/364333493.db2.gz UJTFTTVDFQSWOQ-OAHLLOKOSA-N 1 0 262.353 2.397 10 0 CEAERO COc1ccc(-c2noc([C@H]3CC[C@@H]([NH3+])C3)n2)cc1 ZINC000097067822 364439625 /nfs/dbraw/zinc/43/96/25/364439625.db2.gz AQJHVBPWZZXBHJ-WDEREUQCSA-N 1 0 259.309 2.340 10 0 CEAERO Cc1cc(O[C@H](C)C(N)=[NH2+])ccc1Br ZINC000157179267 366841188 /nfs/dbraw/zinc/84/11/88/366841188.db2.gz XLOWKRAZFRJFKD-SSDOTTSWSA-N 1 0 257.131 2.461 10 0 CEAERO Nc1[nH+]ccc(Nc2cc(C(F)(F)F)ccn2)c1N ZINC000097758681 364519185 /nfs/dbraw/zinc/51/91/85/364519185.db2.gz KHBJPKISJOJNPI-UHFFFAOYSA-N 1 0 269.230 2.403 10 0 CEAERO Cc1cc(N(C)C2CC([NH3+])C2)ncc1Br ZINC000335661401 212380612 /nfs/dbraw/zinc/38/06/12/212380612.db2.gz QRWDHOCZSSKGJX-UHFFFAOYSA-N 1 0 270.174 2.078 10 0 CEAERO O[C@H]1CC[C@H]([NH2+]Cc2cnc(Cl)nc2Cl)CC1 ZINC000100280015 364543676 /nfs/dbraw/zinc/54/36/76/364543676.db2.gz PHSQHOLQIPUAAZ-DTORHVGOSA-N 1 0 276.167 2.177 10 0 CEAERO CC(C)[C@H](C)NC(=O)NCCC1CC[NH+](C)CC1 ZINC000103297546 364640422 /nfs/dbraw/zinc/64/04/22/364640422.db2.gz UAMHYFDLRWGYEI-LBPRGKRZSA-N 1 0 255.406 2.062 10 0 CEAERO COC[C@H](C)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000103430711 364652390 /nfs/dbraw/zinc/65/23/90/364652390.db2.gz GFUMIGBPCBDBKQ-ZNMIVQPWSA-N 1 0 284.444 2.143 10 0 CEAERO C[C@@H]1C[C@@H]1NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000111490323 364742777 /nfs/dbraw/zinc/74/27/77/364742777.db2.gz YFCTXBGLGKFNBD-KGLIPLIRSA-N 1 0 267.417 2.350 10 0 CEAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1nn(C)cc1Cl ZINC000335445619 364745100 /nfs/dbraw/zinc/74/51/00/364745100.db2.gz TUSXYCIGYYMNPR-NWDGAFQWSA-N 1 0 282.819 2.132 10 0 CEAERO O=C(CCc1ccccc1)Nc1nc2c(s1)C[NH2+]CC2 ZINC000019681396 283796290 /nfs/dbraw/zinc/79/62/90/283796290.db2.gz RCVXMMBXYHOFFD-UHFFFAOYSA-N 1 0 287.388 2.360 10 0 CEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(Cl)cc1F ZINC000335768414 364953920 /nfs/dbraw/zinc/95/39/20/364953920.db2.gz GKXFCISJWBAKTJ-QPUJVOFHSA-N 1 0 270.735 2.236 10 0 CEAERO CCCCOC[C@H](O)C[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000195195883 189673487 /nfs/dbraw/zinc/67/34/87/189673487.db2.gz MVLCOHFWTMVMHO-QGZVFWFLSA-N 1 0 294.439 2.362 10 0 CEAERO CC[C@@H](CC1CCCC1)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116788847 365068465 /nfs/dbraw/zinc/06/84/65/365068465.db2.gz GGNGKGGSTYCOKM-HOTGVXAUSA-N 1 0 296.455 2.382 10 0 CEAERO CCCCC[NH+]1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000117880235 365129836 /nfs/dbraw/zinc/12/98/36/365129836.db2.gz HVAXUDYRUFCEKK-LBPRGKRZSA-N 1 0 266.389 2.247 10 0 CEAERO CCSCC[NH+]1CCC(Nc2cccnn2)CC1 ZINC000119112777 365219327 /nfs/dbraw/zinc/21/93/27/365219327.db2.gz JMMLIDDYAJVPSW-UHFFFAOYSA-N 1 0 266.414 2.106 10 0 CEAERO c1cnn(C[C@H]2C[N@H+](CCC3CCCC3)CCO2)c1 ZINC000119258419 365243913 /nfs/dbraw/zinc/24/39/13/365243913.db2.gz OTSMMADJTUIDMY-OAHLLOKOSA-N 1 0 263.385 2.164 10 0 CEAERO CCOCCCC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000119397166 365267724 /nfs/dbraw/zinc/26/77/24/365267724.db2.gz LXNMVCZIABKGTO-CQSZACIVSA-N 1 0 270.417 2.040 10 0 CEAERO COCC[N@@H+]1CCN(Cc2ccc(F)cc2F)C[C@H]1C ZINC000120470777 365429208 /nfs/dbraw/zinc/42/92/08/365429208.db2.gz DWHBDMYJVRHFLB-GFCCVEGCSA-N 1 0 284.350 2.117 10 0 CEAERO CCC[C@H](CCO)C[NH2+][C@@H]1C[C@@H](OCC)C12CCOCC2 ZINC000249062463 283878182 /nfs/dbraw/zinc/87/81/82/283878182.db2.gz YTKLXUFKWVCIIT-BZUAXINKSA-N 1 0 299.455 2.349 10 0 CEAERO CCOCC[N@@H+]1CCN(Cc2ccc(C)o2)C[C@@H]1C ZINC000120873085 365487465 /nfs/dbraw/zinc/48/74/65/365487465.db2.gz GEYPPLZLGZGBTA-ZDUSSCGKSA-N 1 0 266.385 2.131 10 0 CEAERO Cc1cnn(CCCCC[N@H+]2[C@H](C)COC[C@@H]2C)c1 ZINC000120954863 365502300 /nfs/dbraw/zinc/50/23/00/365502300.db2.gz QOUQVIHQPHSVMV-GASCZTMLSA-N 1 0 265.401 2.471 10 0 CEAERO CCc1cccc(CC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000162154460 367140726 /nfs/dbraw/zinc/14/07/26/367140726.db2.gz JIKRLESXNSVXJW-KRWDZBQOSA-N 1 0 286.419 2.488 10 0 CEAERO Cc1cccc(C(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)c1F ZINC000161613988 367101048 /nfs/dbraw/zinc/10/10/48/367101048.db2.gz ZVFZGHMQHHCILW-DGCLKSJQSA-N 1 0 264.344 2.156 10 0 CEAERO C[C@@H]1CN(C(=O)c2c(F)cccc2Cl)C[C@@H]1C[NH3+] ZINC000638884347 370818441 /nfs/dbraw/zinc/81/84/41/370818441.db2.gz HEBDCYZHBREJIJ-BDAKNGLRSA-N 1 0 270.735 2.146 10 0 CEAERO C[C@H]1CN(C(=O)CCSc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000638884639 370819663 /nfs/dbraw/zinc/81/96/63/370819663.db2.gz DFQGRUMJCQPFGC-NWDGAFQWSA-N 1 0 296.411 2.361 10 0 CEAERO C[C@@H]1CN(C(=O)Cc2c(F)cccc2Cl)C[C@H]1C[NH3+] ZINC000638884670 370819668 /nfs/dbraw/zinc/81/96/68/370819668.db2.gz IHAYGZABCNAECB-NXEZZACHSA-N 1 0 284.762 2.075 10 0 CEAERO CCCOc1cccc(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000638886619 370820384 /nfs/dbraw/zinc/82/03/84/370820384.db2.gz AYVWDAMVPXQARY-OCCSQVGLSA-N 1 0 276.380 2.142 10 0 CEAERO COc1ccc(Cl)cc1C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638887590 370822098 /nfs/dbraw/zinc/82/20/98/370822098.db2.gz WDVHNLNPDOBJTI-NXEZZACHSA-N 1 0 282.771 2.015 10 0 CEAERO C[C@@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@@H]1C[NH3+] ZINC000638888300 370822114 /nfs/dbraw/zinc/82/21/14/370822114.db2.gz XIZAPWOEDSEYTN-KOLCDFICSA-N 1 0 252.745 2.007 10 0 CEAERO Cc1cnn([C@H]2CCC[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C2)c1 ZINC000245455135 370822757 /nfs/dbraw/zinc/82/27/57/370822757.db2.gz ALLKJFUJALNYGV-CABCVRRESA-N 1 0 292.427 2.084 10 0 CEAERO C[C@H]1CN(C(=O)c2ccc(Cl)cc2F)C[C@H]1C[NH3+] ZINC000638889866 370823045 /nfs/dbraw/zinc/82/30/45/370823045.db2.gz RDOFUQXRLLHRSA-DTWKUNHWSA-N 1 0 270.735 2.146 10 0 CEAERO CCc1ccc(CCC(=O)N2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000638891564 370825097 /nfs/dbraw/zinc/82/50/97/370825097.db2.gz ZZPCRDBKPMDZEM-XJKSGUPXSA-N 1 0 274.408 2.235 10 0 CEAERO CO[C@@H](C)c1nc(CN2CC[N@@H+]3CCC[C@H]3C2)cs1 ZINC000245471078 370825103 /nfs/dbraw/zinc/82/51/03/370825103.db2.gz NPKFHWDZTMYHAF-AAEUAGOBSA-N 1 0 281.425 2.131 10 0 CEAERO C[C@H]1CN(C(=O)c2sccc2Cl)C[C@H]1C[NH3+] ZINC000638895279 370826354 /nfs/dbraw/zinc/82/63/54/370826354.db2.gz UBLLUAAEKCQUNH-JGVFFNPUSA-N 1 0 258.774 2.068 10 0 CEAERO CC[C@@](C)(O)C[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000162481567 367163417 /nfs/dbraw/zinc/16/34/17/367163417.db2.gz FVQGMFAJFCMRAG-HZPDHXFCSA-N 1 0 263.381 2.091 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cnn2ccccc12 ZINC000245689466 370859004 /nfs/dbraw/zinc/85/90/04/370859004.db2.gz BDVAEXCEEPGHMJ-ZFWWWQNUSA-N 1 0 270.380 2.003 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCC1=CCCC1 ZINC000245573699 370842781 /nfs/dbraw/zinc/84/27/81/370842781.db2.gz ZXZMAZXMZMNNLJ-ZFWWWQNUSA-N 1 0 277.412 2.365 10 0 CEAERO CC(C)COc1ccc([C@@H](C)NC(=O)C[NH+](C)C)cc1 ZINC000163360433 367234579 /nfs/dbraw/zinc/23/45/79/367234579.db2.gz BJSSWKBCUPTPSG-CYBMUJFWSA-N 1 0 278.396 2.460 10 0 CEAERO CC(C)([NH3+])c1cn(Cc2cccc(F)c2Cl)nn1 ZINC000166708443 367327317 /nfs/dbraw/zinc/32/73/17/367327317.db2.gz RDUHYEGCALUWSK-UHFFFAOYSA-N 1 0 268.723 2.313 10 0 CEAERO CC/C=C\CC[N@@H+]1CCN(CCOC)[C@@H](CC)C1 ZINC000342244311 367396659 /nfs/dbraw/zinc/39/66/59/367396659.db2.gz IOEVOKZQGFTGKO-XHPSBEMXSA-N 1 0 254.418 2.385 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)N[C@H]2CCCc3occc32)C1 ZINC000170830514 367427521 /nfs/dbraw/zinc/42/75/21/367427521.db2.gz GELXDBKFDBJXQX-AAEUAGOBSA-N 1 0 277.368 2.003 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2cccc(OC(F)F)c2)C1 ZINC000171076831 367473748 /nfs/dbraw/zinc/47/37/48/367473748.db2.gz NNFAYZCNXSBPKE-LLVKDONJSA-N 1 0 299.321 2.456 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)NCc2cccc3cccnc32)C1 ZINC000170835079 367429521 /nfs/dbraw/zinc/42/95/21/367429521.db2.gz PXCAHDQQURSLAV-OAHLLOKOSA-N 1 0 298.390 2.080 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)NCc2cccc(Cl)c2)C1 ZINC000170861737 367434142 /nfs/dbraw/zinc/43/41/42/367434142.db2.gz ZFGZZOVWKQYOLJ-ZDUSSCGKSA-N 1 0 281.787 2.186 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2cccc3cccnc32)C1 ZINC000170874735 367438609 /nfs/dbraw/zinc/43/86/09/367438609.db2.gz HUHDEQIYHZUHMH-CYBMUJFWSA-N 1 0 284.363 2.403 10 0 CEAERO C[C@H]1CN(Cc2cn3cc(Cl)ccc3n2)C[C@@H]1C[NH3+] ZINC000631839572 367580261 /nfs/dbraw/zinc/58/02/61/367580261.db2.gz HUXUZAVCSGJERI-QWRGUYRKSA-N 1 0 278.787 2.014 10 0 CEAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCc1ccoc1 ZINC000171665651 367586780 /nfs/dbraw/zinc/58/67/80/367586780.db2.gz ZNLVJXVEFUHNBK-HNNXBMFYSA-N 1 0 272.348 2.069 10 0 CEAERO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1Cl)[C@@H]1CCCO1 ZINC000225244217 189745597 /nfs/dbraw/zinc/74/55/97/189745597.db2.gz JLGATXQHOGMMTJ-SCRDCRAPSA-N 1 0 299.798 2.237 10 0 CEAERO CCc1noc([C@H](C)N2CC[NH+]([C@H]3C=CCCC3)CC2)n1 ZINC000171746349 367609070 /nfs/dbraw/zinc/60/90/70/367609070.db2.gz DLWLITBFTHLFFE-KBPBESRZSA-N 1 0 290.411 2.419 10 0 CEAERO CC1CCC(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000171904102 367635173 /nfs/dbraw/zinc/63/51/73/367635173.db2.gz WTXNEYFIZHKCFJ-NRXISQOPSA-N 1 0 279.428 2.302 10 0 CEAERO Cc1cc(C)n2c(CN3C[C@H]4CCC[N@H+]4C[C@H]3C)cnc2n1 ZINC000245751126 370869549 /nfs/dbraw/zinc/86/95/49/370869549.db2.gz NTQAMZAUGXIVDO-HUUCEWRRSA-N 1 0 299.422 2.015 10 0 CEAERO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000172604067 367786482 /nfs/dbraw/zinc/78/64/82/367786482.db2.gz HUFJMKBWYQYBJL-VHSXEESVSA-N 1 0 283.397 2.021 10 0 CEAERO CCc1ccccc1CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172633299 367790797 /nfs/dbraw/zinc/79/07/97/367790797.db2.gz KULWHOAKEREVSH-MRXNPFEDSA-N 1 0 287.407 2.239 10 0 CEAERO c1ccc(-c2noc(CCN3CC[N@@H+]4CCC[C@@H]4C3)n2)cc1 ZINC000172656242 367794485 /nfs/dbraw/zinc/79/44/85/367794485.db2.gz RSSNMBZUEWEVPK-OAHLLOKOSA-N 1 0 298.390 2.059 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(C)c(O)c1 ZINC000245770136 370871582 /nfs/dbraw/zinc/87/15/82/370871582.db2.gz XCXCGUUZZPWMIW-CABCVRRESA-N 1 0 288.391 2.399 10 0 CEAERO Cc1cnn(C[C@H]2C[N@H+](C[C@@H]3CC=CCC3)CCO2)c1 ZINC000245812083 370875450 /nfs/dbraw/zinc/87/54/50/370875450.db2.gz ZORPBPIWIGLWOM-HZPDHXFCSA-N 1 0 275.396 2.249 10 0 CEAERO Cc1ccc2cccc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)c2n1 ZINC000172843550 367827107 /nfs/dbraw/zinc/82/71/07/367827107.db2.gz CEGDUVYQZPFLCF-HNNXBMFYSA-N 1 0 295.386 2.463 10 0 CEAERO C[C@H](CN1CCOCC1)[N@@H+]1CCC[C@H]1c1ccco1 ZINC000245945007 370892192 /nfs/dbraw/zinc/89/21/92/370892192.db2.gz BIDMRMBOAFWLQB-KGLIPLIRSA-N 1 0 264.369 2.137 10 0 CEAERO CCc1cnc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000173473724 367913650 /nfs/dbraw/zinc/91/36/50/367913650.db2.gz QEXYXCNQSJHVIB-JTQLQIEISA-N 1 0 280.397 2.017 10 0 CEAERO COC[C@H](C)[NH2+]C[C@H](c1ccc(C)s1)N1CCOCC1 ZINC000174303932 368008056 /nfs/dbraw/zinc/00/80/56/368008056.db2.gz CHDZMZDKRWQHEX-GXTWGEPZSA-N 1 0 298.452 2.054 10 0 CEAERO Cc1ccc(NC(=O)N2CC[C@H]([NH+](C)C)C2)s1 ZINC000175833467 368181544 /nfs/dbraw/zinc/18/15/44/368181544.db2.gz ILAMSPVMFOPYTC-JTQLQIEISA-N 1 0 253.371 2.224 10 0 CEAERO CCC[N@H+](CC)CCNC(=O)N[C@@H]1COc2ccccc21 ZINC000175405749 368135214 /nfs/dbraw/zinc/13/52/14/368135214.db2.gz DANQLLPRINVVSC-CQSZACIVSA-N 1 0 291.395 2.151 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cccnc1 ZINC000176307035 368221796 /nfs/dbraw/zinc/22/17/96/368221796.db2.gz XHDQREGIJYIPPN-ZDUSSCGKSA-N 1 0 262.357 2.030 10 0 CEAERO Cc1nc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)sc1C ZINC000176372684 368231288 /nfs/dbraw/zinc/23/12/88/368231288.db2.gz SIIYCAHXTVUSRV-ZDUSSCGKSA-N 1 0 291.424 2.264 10 0 CEAERO Cc1cnn(CC[NH2+][C@@H](C)c2nc3ccccc3n2C)c1 ZINC000180158370 368370396 /nfs/dbraw/zinc/37/03/96/368370396.db2.gz UBGZQGVMBOTNFX-ZDUSSCGKSA-N 1 0 283.379 2.429 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000335499777 212179812 /nfs/dbraw/zinc/17/98/12/212179812.db2.gz JKTXTKZQPQZHJV-ZWNOBZJWSA-N 1 0 278.783 2.320 10 0 CEAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1nc2c(s1)CCCC2 ZINC000180488569 368383731 /nfs/dbraw/zinc/38/37/31/368383731.db2.gz UHJJONNRNIGMSV-NWDGAFQWSA-N 1 0 295.452 2.003 10 0 CEAERO C[C@@H]1CN(C(=O)C2(c3ccc(Cl)cc3)CC2)C[C@H]1[NH3+] ZINC000335485276 212159689 /nfs/dbraw/zinc/15/96/89/212159689.db2.gz ZAUSUBLSNHQFEI-ZWNOBZJWSA-N 1 0 278.783 2.177 10 0 CEAERO Cc1c2ccccc2oc1C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000335484883 212160393 /nfs/dbraw/zinc/16/03/93/212160393.db2.gz WLUACHSHSXUAQR-BXKDBHETSA-N 1 0 258.321 2.160 10 0 CEAERO C[C@H]1CN(C(=O)c2cc(F)c(F)cc2Cl)C[C@@H]1[NH3+] ZINC000335482573 212156682 /nfs/dbraw/zinc/15/66/82/212156682.db2.gz DOTJURYGBKFKMG-KGFZYKRKSA-N 1 0 274.698 2.037 10 0 CEAERO Cc1ccc(C)c(SCC(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000335482630 212156748 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2.150 10 0 CEAERO C[C@H]1CCN(C(=O)NC[C@@H]2C[C@H]2C2CCC2)[C@@H](C[NH3+])C1 ZINC000333236406 205139793 /nfs/dbraw/zinc/13/97/93/205139793.db2.gz AFXXSGBVCXRSFM-MHEUCROKSA-N 1 0 279.428 2.191 10 0 CEAERO [NH3+]C1(c2noc(-c3cnn4c3CCCC4)n2)CCCCC1 ZINC000333236356 205140143 /nfs/dbraw/zinc/14/01/43/205140143.db2.gz AECYVFJCHJRHJI-UHFFFAOYSA-N 1 0 287.367 2.388 10 0 CEAERO CC(C)(O)CC[NH+]1CCC(c2nccs2)CC1 ZINC000365907587 372953070 /nfs/dbraw/zinc/95/30/70/372953070.db2.gz UPFHDWWETTUZEN-UHFFFAOYSA-N 1 0 254.399 2.484 10 0 CEAERO CCCCc1ccc(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000643600469 373211058 /nfs/dbraw/zinc/21/10/58/373211058.db2.gz VFACIECIERMYEX-SWLSCSKDSA-N 1 0 260.381 2.448 10 0 CEAERO Cc1ccc(CCC(=O)N2C[C@H]([NH3+])[C@@H](C)C2)cc1Cl ZINC000643600261 373211418 /nfs/dbraw/zinc/21/14/18/373211418.db2.gz CHBWHKOCNIAVNL-FZMZJTMJSA-N 1 0 280.799 2.387 10 0 CEAERO CCCC[C@H](CC)CNC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000643614293 373220396 /nfs/dbraw/zinc/22/03/96/373220396.db2.gz QLUSGOGHDWFIRC-ZFWWWQNUSA-N 1 0 270.417 2.088 10 0 CEAERO COC[C@]1(C(=O)Nc2ccc(Cl)cc2F)CCC[NH2+]1 ZINC000643615607 373222393 /nfs/dbraw/zinc/22/23/93/373222393.db2.gz RGWVHMNEWHASKT-ZDUSSCGKSA-N 1 0 286.734 2.186 10 0 CEAERO CCCCN(CC)C(=O)C1(CCOC)CC[NH2+]CC1 ZINC000643616751 373223031 /nfs/dbraw/zinc/22/30/31/373223031.db2.gz GKZUCGDPQKSXLU-UHFFFAOYSA-N 1 0 270.417 2.041 10 0 CEAERO COC[C@]1(C(=O)Nc2cccc(C(F)F)c2)CCC[NH2+]1 ZINC000643673287 373233223 /nfs/dbraw/zinc/23/32/23/373233223.db2.gz WOLIMZLBAVVHCC-AWEZNQCLSA-N 1 0 284.306 2.331 10 0 CEAERO CCOCc1ccccc1CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054307538 541887375 /nfs/dbraw/zinc/88/73/75/541887375.db2.gz NDFHFUMHBQFMRI-CQSZACIVSA-N 1 0 290.407 2.229 10 0 CEAERO COC[C@@]1(c2nc(-c3ccc(F)cc3)no2)CCC[NH2+]1 ZINC000643935943 373306881 /nfs/dbraw/zinc/30/68/81/373306881.db2.gz PUSWLYNXVGZVJC-CQSZACIVSA-N 1 0 277.299 2.101 10 0 CEAERO Cc1cc(C)n(CC[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)n1 ZINC000334213553 206202089 /nfs/dbraw/zinc/20/20/89/206202089.db2.gz DJSIWKBTKHYUTI-JKSUJKDBSA-N 1 0 277.412 2.127 10 0 CEAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1c(Br)cnn1C ZINC000278344137 374787225 /nfs/dbraw/zinc/78/72/25/374787225.db2.gz HDOGECBIDYFIJJ-WPRPVWTQSA-N 1 0 272.190 2.461 10 0 CEAERO OC[C@@H]1C[C@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000378670041 375146984 /nfs/dbraw/zinc/14/69/84/375146984.db2.gz JHTUZYCHVURLHF-GZMMTYOYSA-N 1 0 274.133 2.059 10 0 CEAERO C[C@H](NC(=O)[C@H]1CCC[NH2+]C1)[C@@H]1CC2CCC1CC2 ZINC000381925709 375181099 /nfs/dbraw/zinc/18/10/99/375181099.db2.gz OUMWAHSPPLYNOF-IIZVFWCOSA-N 1 0 264.413 2.317 10 0 CEAERO Cc1ccnc(N2C[C@@H]([NH3+])C[C@H]2C)c1Br ZINC000385133451 375228551 /nfs/dbraw/zinc/22/85/51/375228551.db2.gz YTQHQFQVGLXBDU-BDAKNGLRSA-N 1 0 270.174 2.078 10 0 CEAERO Cc1cc(N2C[C@H]([NH3+])C[C@H]2C)ncc1Br ZINC000385210405 375230036 /nfs/dbraw/zinc/23/00/36/375230036.db2.gz DJWKTJXUOMBHIR-RKDXNWHRSA-N 1 0 270.174 2.078 10 0 CEAERO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@H]2CC[C@H]2C)c1 ZINC000389435897 375303467 /nfs/dbraw/zinc/30/34/67/375303467.db2.gz RSXPIZGLFJABAG-YUELXQCFSA-N 1 0 263.381 2.431 10 0 CEAERO CCN1CC[C@@H]([NH2+][C@@H]2CCc3ccc(OC)cc32)C1 ZINC000389533508 375305197 /nfs/dbraw/zinc/30/51/97/375305197.db2.gz IUFBAIKEFAMWLC-CZUORRHYSA-N 1 0 260.381 2.366 10 0 CEAERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1ccc(OC(F)F)cn1 ZINC000389738612 375306569 /nfs/dbraw/zinc/30/65/69/375306569.db2.gz WUYVNIQTVQVESW-SCZZXKLOSA-N 1 0 257.284 2.093 10 0 CEAERO CN(C)C(=O)[C@H]1CCC[N@@H+]1C/C=C/c1ccccc1 ZINC000280751170 375309206 /nfs/dbraw/zinc/30/92/06/375309206.db2.gz HFUHIQPFPBONDR-WCLQSUPFSA-N 1 0 258.365 2.252 10 0 CEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1CCCc2sccc21 ZINC000282320291 375456490 /nfs/dbraw/zinc/45/64/90/375456490.db2.gz NNYOPAPYJYCLNH-WCQGTBRESA-N 1 0 264.394 2.382 10 0 CEAERO C[C@H](Cc1ccccc1F)[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000282331768 375458208 /nfs/dbraw/zinc/45/82/08/375458208.db2.gz OFIHYWBRKDMMET-GYSYKLTISA-N 1 0 264.344 2.013 10 0 CEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccc(F)cc1Cl ZINC000282338699 375458949 /nfs/dbraw/zinc/45/89/49/375458949.db2.gz LZAJBTDGFOIDSF-UFBFGSQYSA-N 1 0 270.735 2.236 10 0 CEAERO COc1ccc([C@H](C)[NH2+][C@H]2CCC(=O)N[C@H]2C)cc1 ZINC000282165744 375418556 /nfs/dbraw/zinc/41/85/56/375418556.db2.gz DQAPPLDLPJWWIA-MJVIPROJSA-N 1 0 262.353 2.013 10 0 CEAERO Cc1ccccc1C1CC([NH2+][C@@H]2CCC(=O)N[C@@H]2C)C1 ZINC000282190033 375424842 /nfs/dbraw/zinc/42/48/42/375424842.db2.gz GEEMVXPZYGVCCW-UWLZSVRSSA-N 1 0 272.392 2.498 10 0 CEAERO CCOc1ccc([C@H](C)[NH2+][C@H]2CCC(=O)N[C@@H]2C)cc1 ZINC000282476850 375494674 /nfs/dbraw/zinc/49/46/74/375494674.db2.gz WQTSOSLSTWJBPA-ZOWXZIJZSA-N 1 0 276.380 2.403 10 0 CEAERO Cc1ccc(CN(C)C(=O)CC[C@H]2CCC[NH2+]2)o1 ZINC000261572539 190040964 /nfs/dbraw/zinc/04/09/64/190040964.db2.gz LRQOWNUGSLUAMT-GFCCVEGCSA-N 1 0 250.342 2.079 10 0 CEAERO CCC[C@@](C)([NH3+])C(=O)N(C)Cc1ncc(C)c(OC)c1C ZINC000262720484 190061158 /nfs/dbraw/zinc/06/11/58/190061158.db2.gz ZHBVRVJKKLANAQ-MRXNPFEDSA-N 1 0 293.411 2.183 10 0 CEAERO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000262730760 190062064 /nfs/dbraw/zinc/06/20/64/190062064.db2.gz BLMYOIPEQFUHNC-SDADXPQNSA-N 1 0 272.392 2.307 10 0 CEAERO [NH3+]C[C@@H]1CC[C@@H](c2cncc(Br)c2)O1 ZINC000306549359 376549620 /nfs/dbraw/zinc/54/96/20/376549620.db2.gz DRNFZSIYNAEDGZ-UWVGGRQHSA-N 1 0 257.131 2.023 10 0 CEAERO COc1ncc(Cl)c(N[C@H](C)CCCC[NH3+])n1 ZINC000310245259 376619125 /nfs/dbraw/zinc/61/91/25/376619125.db2.gz MSCIVRATGSTNCZ-MRVPVSSYSA-N 1 0 258.753 2.068 10 0 CEAERO O=C(CC[C@H]1CCC[NH2+]1)N1CCCc2ccccc2C1 ZINC000313198282 376740518 /nfs/dbraw/zinc/74/05/18/376740518.db2.gz NKBDOROBDPNRQL-MRXNPFEDSA-N 1 0 272.392 2.494 10 0 CEAERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2ncc(C(=O)OC)s2)C1 ZINC000315048266 376792288 /nfs/dbraw/zinc/79/22/88/376792288.db2.gz ZGQGESABXAWHRW-WDEREUQCSA-N 1 0 297.424 2.065 10 0 CEAERO CC(C)C1([NH2+]C[C@@H](O)COCc2ccccc2F)CC1 ZINC000293029923 377398357 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ZINC000301280910 379243676 /nfs/dbraw/zinc/24/36/76/379243676.db2.gz KJVFIWFHISATIO-UHFFFAOYSA-N 1 0 275.327 2.336 10 0 CEAERO CCCC(=O)N[C@@H]1CCC[N@H+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000186921287 183649394 /nfs/dbraw/zinc/64/93/94/183649394.db2.gz RZHDIFALQXFXMM-KGLIPLIRSA-N 1 0 282.428 2.325 10 0 CEAERO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC[C@@H](C)O1)CC(C)C ZINC000246129344 284820336 /nfs/dbraw/zinc/82/03/36/284820336.db2.gz ZKHQFEWUBBTDNM-ILXRZTDVSA-N 1 0 284.444 2.427 10 0 CEAERO c1cn(C[C@@H]2CCC[N@@H+]2Cc2cnc3ccccn23)cn1 ZINC000188409913 542321404 /nfs/dbraw/zinc/32/14/04/542321404.db2.gz MPGMKOOMGCZAPX-AWEZNQCLSA-N 1 0 281.363 2.195 10 0 CEAERO CC[C@@H](CO)[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000037888074 184542361 /nfs/dbraw/zinc/54/23/61/184542361.db2.gz AHTUSAHGFJVAEC-JKSUJKDBSA-N 1 0 259.349 2.234 10 0 CEAERO C[C@H]([NH2+]C[C@@H](O)CO[C@@H]1CCCC[C@@H]1C)C1CC1 ZINC000037889458 184542654 /nfs/dbraw/zinc/54/26/54/184542654.db2.gz MCLVIOIODCZKEJ-DDHJSBNISA-N 1 0 255.402 2.331 10 0 CEAERO CN(Cc1ccc(F)cc1C[NH3+])CC(F)(F)F ZINC000071263247 184574822 /nfs/dbraw/zinc/57/48/22/184574822.db2.gz ASHYUZUWDKEWSK-UHFFFAOYSA-N 1 0 250.239 2.279 10 0 CEAERO C[C@H]([NH3+])c1ccc(S[C@@H]2CCN(C)C2=O)cc1 ZINC000079578362 184594124 /nfs/dbraw/zinc/59/41/24/184594124.db2.gz PMWKBKYQJXGENR-JOYOIKCWSA-N 1 0 250.367 2.029 10 0 CEAERO CCC[C@H](CSc1nnc2n1CCCCC2)[NH2+]C ZINC000081865834 184598232 /nfs/dbraw/zinc/59/82/32/184598232.db2.gz XLMVFYOYBVNUKC-LLVKDONJSA-N 1 0 268.430 2.485 10 0 CEAERO [NH3+]C[C@]1(OCc2cccc3cccnc32)CCCOC1 ZINC000086722532 184610226 /nfs/dbraw/zinc/61/02/26/184610226.db2.gz FJKBDDFYHODWSA-MRXNPFEDSA-N 1 0 272.348 2.259 10 0 CEAERO [NH3+][C@H](CC[C@H]1CCCO1)c1ccc2[nH]c(=O)oc2c1 ZINC000087212742 184612976 /nfs/dbraw/zinc/61/29/76/184612976.db2.gz XDZSYGHAYOHMSF-GHMZBOCLSA-N 1 0 262.309 2.080 10 0 CEAERO Cc1ccc(CN(C)S(=O)(=O)[C@@H](C)C[NH2+]C(C)C)cc1 ZINC000088932202 184614651 /nfs/dbraw/zinc/61/46/51/184614651.db2.gz UPIUWRZJYOVMHX-AWEZNQCLSA-N 1 0 298.452 2.143 10 0 CEAERO CCC[C@H](C)N(C)S(=O)(=O)Cc1ccc(C[NH2+]C)cc1 ZINC000088964521 184615749 /nfs/dbraw/zinc/61/57/49/184615749.db2.gz NUOUXOMGANMZHQ-ZDUSSCGKSA-N 1 0 298.452 2.356 10 0 CEAERO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1C(=O)C1CCCCC1 ZINC000090335573 184616242 /nfs/dbraw/zinc/61/62/42/184616242.db2.gz OOTOIXPLROWIQM-QWHCGFSZSA-N 1 0 250.386 2.023 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@H](Sc1cnccn1)C2 ZINC000092860769 184632737 /nfs/dbraw/zinc/63/27/37/184632737.db2.gz KTOMSSZQEBFINJ-OCCSQVGLSA-N 1 0 273.361 2.202 10 0 CEAERO COc1ccc2c(c1)[C@@H](N1CC[NH2+]CC1(C)C)CC2 ZINC000092841566 184631333 /nfs/dbraw/zinc/63/13/33/184631333.db2.gz JFWKTIPGSBVLKB-HNNXBMFYSA-N 1 0 260.381 2.366 10 0 CEAERO COc1ccc2c(c1)[C@@]([NH3+])(Cc1ncnn1C(C)C)CC2 ZINC000092858094 184632265 /nfs/dbraw/zinc/63/22/65/184632265.db2.gz PMBQBRYMTRRRKQ-INIZCTEOSA-N 1 0 286.379 2.211 10 0 CEAERO C[C@@H]1CCCC[C@@H]1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000246779047 296335146 /nfs/dbraw/zinc/33/51/46/296335146.db2.gz BDTMFKPRDAJRKZ-BARDWOONSA-N 1 0 279.428 2.443 10 0 CEAERO O=C(NC12CC3CC(CC(C3)C1)C2)OC[C@H]1CC[NH2+]C1 ZINC000092743478 184624433 /nfs/dbraw/zinc/62/44/33/184624433.db2.gz HZNRJBWDZWQWKJ-IKMFHRHGSA-N 1 0 278.396 2.291 10 0 CEAERO COC(=O)[C@H](C)[C@H](C)[NH2+]Cc1cccnc1OC(C)C ZINC000093027851 184643516 /nfs/dbraw/zinc/64/35/16/184643516.db2.gz PFENNSAHOKVZEG-NEPJUHHUSA-N 1 0 280.368 2.156 10 0 CEAERO CCN(C(=O)[C@H]1CC[NH2+][C@H]1C)c1cccc(F)c1 ZINC000092956380 184637475 /nfs/dbraw/zinc/63/74/75/184637475.db2.gz UAHZELSYGQEDPG-GWCFXTLKSA-N 1 0 250.317 2.177 10 0 CEAERO [NH3+][C@@H]1CC[C@H](Nc2ccc(OCC(F)(F)F)nc2)C1 ZINC000093206059 184655042 /nfs/dbraw/zinc/65/50/42/184655042.db2.gz OMJMPPNJIIPDHI-BDAKNGLRSA-N 1 0 275.274 2.314 10 0 CEAERO CCOCCC[NH2+][C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000093205308 184655235 /nfs/dbraw/zinc/65/52/35/184655235.db2.gz DHXQBXIMWNYNLK-QWHCGFSZSA-N 1 0 286.416 2.448 10 0 CEAERO C[C@@H](C[NH2+]C1CC1)[C@H](C)N(C)Cc1cscn1 ZINC000093069286 184646323 /nfs/dbraw/zinc/64/63/23/184646323.db2.gz BSLYHYCMYUNUKH-QWRGUYRKSA-N 1 0 253.415 2.352 10 0 CEAERO CC(=O)Nc1ccc(F)c(N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000093211131 184656185 /nfs/dbraw/zinc/65/61/85/184656185.db2.gz BFBKVWNVMJSWNW-WDEREUQCSA-N 1 0 265.332 2.466 10 0 CEAERO C[C@@H]1CN(c2ncc(Cl)cc2F)C[C@@]1(C)C[NH3+] ZINC000335284754 208100245 /nfs/dbraw/zinc/10/02/45/208100245.db2.gz CWHUIYIXNDQHDM-PRHODGIISA-N 1 0 257.740 2.295 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccn(C)c1C ZINC000195290332 542365650 /nfs/dbraw/zinc/36/56/50/542365650.db2.gz CPIFUFXPGHLZFC-ZIAGYGMSSA-N 1 0 275.396 2.032 10 0 CEAERO Cc1cn[nH]c1C[NH2+][C@H](C)COCc1ccccc1 ZINC000289411541 197334375 /nfs/dbraw/zinc/33/43/75/197334375.db2.gz BMGOHGHTEPSYNV-CYBMUJFWSA-N 1 0 259.353 2.413 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCCC(C)(C)C2)C1 ZINC000112745410 285230061 /nfs/dbraw/zinc/23/00/61/285230061.db2.gz RXJVCJZAURZYCG-CYBMUJFWSA-N 1 0 267.417 2.302 10 0 CEAERO CNC(=O)c1ccc(N[C@@H](C)C[C@@H]2CCCC[NH2+]2)cc1 ZINC000093484017 184682016 /nfs/dbraw/zinc/68/20/16/184682016.db2.gz WSYTTZRYACDNDM-WFASDCNBSA-N 1 0 275.396 2.379 10 0 CEAERO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H](C)C(=O)N1CCCCC1 ZINC000093515797 184686615 /nfs/dbraw/zinc/68/66/15/184686615.db2.gz HEUWNVDYZASDQF-PMPSAXMXSA-N 1 0 295.471 2.288 10 0 CEAERO CC[C@H](C)N1C(=[NH2+])NC[C@@]1(C)Cc1ccccc1OC ZINC000093380804 184669239 /nfs/dbraw/zinc/66/92/39/184669239.db2.gz MLPJEMWWNXYEAU-BLLLJJGKSA-N 1 0 275.396 2.425 10 0 CEAERO COc1ccccc1N1C(=[NH2+])NC[C@@]12CCC[C@H]2C ZINC000093388610 184670012 /nfs/dbraw/zinc/67/00/12/184670012.db2.gz XAMSJMHZZXBAOP-IAQYHMDHSA-N 1 0 259.353 2.389 10 0 CEAERO CC[C@]1(c2ccc(O)cc2)CNC(=[NH2+])N1CC1CC1 ZINC000093393532 184670674 /nfs/dbraw/zinc/67/06/74/184670674.db2.gz GSCRLOCLIMQVKM-OAHLLOKOSA-N 1 0 259.353 2.038 10 0 CEAERO CCOc1ccc([C@@]2(C)CNC(=[NH2+])N2CC2CC2)cc1 ZINC000093393912 184670693 /nfs/dbraw/zinc/67/06/93/184670693.db2.gz CACQPQRDOWSSSD-MRXNPFEDSA-N 1 0 273.380 2.341 10 0 CEAERO CCN(c1cccc(F)c1C(N)=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000093409604 184671834 /nfs/dbraw/zinc/67/18/34/184671834.db2.gz RLNYSFCPCCNHGH-DGCLKSJQSA-N 1 0 293.386 2.268 10 0 CEAERO C[C@H](C[C@H]1CCC[NH2+]1)Nc1ccc(N2CCNC2=O)cc1 ZINC000093464220 184678797 /nfs/dbraw/zinc/67/87/97/184678797.db2.gz LKQJLTVKZOMHTE-TZMCWYRMSA-N 1 0 288.395 2.159 10 0 CEAERO c1ccc2c(c1)C[C@@H]2C[NH+]1CCC(C2OCCO2)CC1 ZINC000287185598 196798319 /nfs/dbraw/zinc/79/83/19/196798319.db2.gz HLMNFKZWHOFWPV-OAHLLOKOSA-N 1 0 273.376 2.411 10 0 CEAERO C[C@H]([NH3+])CCCCS(=O)(=O)c1ccc(F)cc1F ZINC000081932368 177901233 /nfs/dbraw/zinc/90/12/33/177901233.db2.gz BTPNPLLNVXWYOG-VIFPVBQESA-N 1 0 277.336 2.256 10 0 CEAERO CC[NH2+][C@H](CS(=O)(=O)CC)c1ccc(CC)cc1 ZINC000081925665 177898480 /nfs/dbraw/zinc/89/84/80/177898480.db2.gz UTOWFNCHSDCBCU-CQSZACIVSA-N 1 0 269.410 2.334 10 0 CEAERO CCC[C@@H]([NH3+])CSc1nnnn1C1CCCC1 ZINC000081881912 177876589 /nfs/dbraw/zinc/87/65/89/177876589.db2.gz NYPNUHIWTDGABP-SECBINFHSA-N 1 0 255.391 2.008 10 0 CEAERO [NH3+][C@@H]1CCCCCC[C@@H]1Sc1n[nH]c(=O)n1C1CC1 ZINC000081880115 177873921 /nfs/dbraw/zinc/87/39/21/177873921.db2.gz GBZXEQXZONNYEA-MNOVXSKESA-N 1 0 282.413 2.049 10 0 CEAERO CC[C@@H](Sc1n[nH]c(=O)n1CC)[C@H]([NH3+])c1ccccc1 ZINC000081879980 177873940 /nfs/dbraw/zinc/87/39/40/177873940.db2.gz XXBWZVWFYIKUJW-VXGBXAGGSA-N 1 0 292.408 2.162 10 0 CEAERO C[C@H](CS(C)(=O)=O)[NH2+]CCC1CCC(C)CC1 ZINC000081901283 177885073 /nfs/dbraw/zinc/88/50/73/177885073.db2.gz DXSFVYXXIRTBLK-OTTFEQOBSA-N 1 0 261.431 2.226 10 0 CEAERO CC[NH2+][C@H](C)CCSc1nnc(N(C)C)s1 ZINC000081769572 177856848 /nfs/dbraw/zinc/85/68/48/177856848.db2.gz KGJWWCNYGKJOHR-MRVPVSSYSA-N 1 0 260.432 2.084 10 0 CEAERO CC(C)Oc1ccc([C@@H](C)NC(=O)CC2C[NH2+]C2)cc1 ZINC000081747231 177852803 /nfs/dbraw/zinc/85/28/03/177852803.db2.gz VTYBVENQXWKAHA-GFCCVEGCSA-N 1 0 276.380 2.261 10 0 CEAERO COCC[C@H](C)n1c(N)[nH+]c2ccc(F)c(F)c21 ZINC000081718485 177844029 /nfs/dbraw/zinc/84/40/29/177844029.db2.gz IJOHALJPDDTWIH-ZETCQYMHSA-N 1 0 255.268 2.494 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]CCCOC(C)C)C12CCOCC2 ZINC000186205488 270249347 /nfs/dbraw/zinc/24/93/47/270249347.db2.gz MEBIAURRIBQYEH-HUUCEWRRSA-N 1 0 285.428 2.365 10 0 CEAERO O[C@@H]1CCCC[C@H]1[C@@H]1CCC[N@@H+]1CC1(O)CCCC1 ZINC000124717585 285314463 /nfs/dbraw/zinc/31/44/63/285314463.db2.gz DLSAWEWNVLXGKX-SOUVJXGZSA-N 1 0 267.413 2.307 10 0 CEAERO C[NH2+]Cc1cc(N2CC[C@@H](COC)C2)nc2ccccc12 ZINC000081116909 177773874 /nfs/dbraw/zinc/77/38/74/177773874.db2.gz MGXLVXCGLQDDPY-CYBMUJFWSA-N 1 0 285.391 2.427 10 0 CEAERO COC[C@@H]1CCN(C(=O)Nc2cccc([C@H](C)[NH3+])c2)C1 ZINC000081110589 177771195 /nfs/dbraw/zinc/77/11/95/177771195.db2.gz KPEJUQDTDUNWSD-NWDGAFQWSA-N 1 0 277.368 2.207 10 0 CEAERO CC(C)[C@H](C)C[NH2+]C[C@H](O)c1ccc2c(c1)OCO2 ZINC000081058789 177762544 /nfs/dbraw/zinc/76/25/44/177762544.db2.gz DVKXOEGDUOESBP-YPMHNXCESA-N 1 0 265.353 2.330 10 0 CEAERO CCO[C@@H](C)[C@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000080743132 177697336 /nfs/dbraw/zinc/69/73/36/177697336.db2.gz LAFHYSHILTXAPL-HZMBPMFUSA-N 1 0 251.326 2.273 10 0 CEAERO CC[NH2+][C@H]1CCCN([C@@H](C)c2nc(C)cs2)C1=O ZINC000080331620 177643024 /nfs/dbraw/zinc/64/30/24/177643024.db2.gz PWEPVAFZOLVWJQ-QWRGUYRKSA-N 1 0 267.398 2.113 10 0 CEAERO Cc1csc([C@H](C)N2CC[C@H]([NH2+]C(C)C)C2=O)n1 ZINC000080331700 177642762 /nfs/dbraw/zinc/64/27/62/177642762.db2.gz YBBPSIQGYSDXPI-QWRGUYRKSA-N 1 0 267.398 2.111 10 0 CEAERO Cc1ccc(C[C@H](C)NC(=O)c2ccc(NN)[nH+]c2)s1 ZINC000080252947 177632099 /nfs/dbraw/zinc/63/20/99/177632099.db2.gz FPFWSAHRNTUUEH-VIFPVBQESA-N 1 0 290.392 2.098 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N[C@@H](C)Cc1ccc(C)s1 ZINC000080243171 177630309 /nfs/dbraw/zinc/63/03/09/177630309.db2.gz AIPNFXDZTUHTDB-JTQLQIEISA-N 1 0 268.426 2.492 10 0 CEAERO C[C@H](CC[NH2+][C@H](C)[C@H]1CCCO1)NC(=O)OC(C)(C)C ZINC000390809266 262348375 /nfs/dbraw/zinc/34/83/75/262348375.db2.gz QDEHVSNKFYEAJH-JHJVBQTASA-N 1 0 286.416 2.447 10 0 CEAERO CCCc1ccc(O[C@@H]2CC[C@@]([NH2+]C)(C(N)=O)C2)cc1 ZINC000093847415 184731865 /nfs/dbraw/zinc/73/18/65/184731865.db2.gz OCYLUZHRKCARIP-ZBFHGGJFSA-N 1 0 276.380 2.014 10 0 CEAERO CCC[NH2+][C@@]1(C(=O)[O-])CCC[C@H]1CC[NH+](CC)CC ZINC000093583398 184692694 /nfs/dbraw/zinc/69/26/94/184692694.db2.gz LGMRAZBOQRSRFI-ZFWWWQNUSA-N 1 0 270.417 2.341 10 0 CEAERO CCC[NH2+][C@]1(C(=O)[O-])CCC[C@@H]1CC[N@H+](C)C(C)C ZINC000093584293 184692846 /nfs/dbraw/zinc/69/28/46/184692846.db2.gz MBGJSWMRDWBHTO-UKRRQHHQSA-N 1 0 270.417 2.340 10 0 CEAERO CCC[NH2+][C@@]1(C(N)=O)CCC[C@@H]1CCOCC(C)C ZINC000093620222 184697221 /nfs/dbraw/zinc/69/72/21/184697221.db2.gz BBERQGXUQPQFJJ-HIFRSBDPSA-N 1 0 270.417 2.073 10 0 CEAERO COCc1cccc(OCC[C@@H]2CCC[C@]2([NH3+])CO)c1 ZINC000093619473 184697273 /nfs/dbraw/zinc/69/72/73/184697273.db2.gz RGQVSOYSKLMBTD-HOCLYGCPSA-N 1 0 279.380 2.092 10 0 CEAERO CCCOCCOCC[C@@H]1CCC[C@@]1(CO)[NH2+]C1CC1 ZINC000093619445 184697423 /nfs/dbraw/zinc/69/74/23/184697423.db2.gz CYOGXXOPPVPLBY-HOCLYGCPSA-N 1 0 285.428 2.103 10 0 CEAERO CCC[NH2+][C@H](CC)CC[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093697974 184708073 /nfs/dbraw/zinc/70/80/73/184708073.db2.gz VZKHDZQLYVHQJE-UONOGXRCSA-N 1 0 290.473 2.216 10 0 CEAERO CC[C@H]([NH3+])Cc1nc(C)ccc1OCC(C)(C)C(=O)OC ZINC000093719038 184709350 /nfs/dbraw/zinc/70/93/50/184709350.db2.gz BCSGZQCNAWIPNV-LBPRGKRZSA-N 1 0 294.395 2.248 10 0 CEAERO CCc1nc2ccccc2n1[C@H]1CCC[C@@]([NH3+])(CO)C1 ZINC000093784036 184721044 /nfs/dbraw/zinc/72/10/44/184721044.db2.gz GJKCIBLVBKSPIK-LRDDRELGSA-N 1 0 273.380 2.404 10 0 CEAERO CC[NH2+][C@]1(CO)CCC[C@@H](n2cc(C(F)(F)F)cn2)C1 ZINC000093784023 184721354 /nfs/dbraw/zinc/72/13/54/184721354.db2.gz AQGWZHGNSJSZPK-VXGBXAGGSA-N 1 0 291.317 2.358 10 0 CEAERO CCOc1cccc(O[C@H]2CCC[C@@]([NH3+])(CO)C2)c1 ZINC000093784424 184722062 /nfs/dbraw/zinc/72/20/62/184722062.db2.gz HREOZMPITXONPB-GJZGRUSLSA-N 1 0 265.353 2.097 10 0 CEAERO COc1cc(C(=O)NC2C(C)(C)C([NH3+])C2(C)C)ccc1C ZINC000094006240 184749571 /nfs/dbraw/zinc/74/95/71/184749571.db2.gz FYJPHQLGSKOORP-UHFFFAOYSA-N 1 0 290.407 2.495 10 0 CEAERO CCN(CC1CC[NH2+]CC1)C(=O)c1ccc2c(c1)CCO2 ZINC000094022315 184750350 /nfs/dbraw/zinc/75/03/50/184750350.db2.gz YCTFNCUGUXPDGS-UHFFFAOYSA-N 1 0 288.391 2.083 10 0 CEAERO CCN(CC1CC[NH2+]CC1)S(=O)(=O)c1cccc(C)c1 ZINC000094023968 184751463 /nfs/dbraw/zinc/75/14/63/184751463.db2.gz SGYYOYIRWSYGBB-UHFFFAOYSA-N 1 0 296.436 2.005 10 0 CEAERO CCc1nc(-c2ccc(F)cn2)nc(CC)c1CC[NH3+] ZINC000094050887 184752698 /nfs/dbraw/zinc/75/26/98/184752698.db2.gz LYAKKISXUHRTJO-UHFFFAOYSA-N 1 0 274.343 2.304 10 0 CEAERO Cc1nc(N2CCC(OCCC[NH3+])CC2)sc1C ZINC000094073279 184753901 /nfs/dbraw/zinc/75/39/01/184753901.db2.gz JDXNDSNASPBVSR-UHFFFAOYSA-N 1 0 269.414 2.094 10 0 CEAERO C[NH2+][C@@H](Cc1ccncc1)[C@@H]1CCc2cccnc21 ZINC000094117413 184755678 /nfs/dbraw/zinc/75/56/78/184755678.db2.gz BUZFRRLZIUGUDN-GJZGRUSLSA-N 1 0 253.349 2.337 10 0 CEAERO Cc1nc(C[C@@H]([NH3+])[C@H]2CCc3cccnc32)cs1 ZINC000094117586 184756098 /nfs/dbraw/zinc/75/60/98/184756098.db2.gz KWWDRFALYIMYAT-CHWSQXEVSA-N 1 0 259.378 2.446 10 0 CEAERO C[NH2+][C@@H](Cc1nccn1C)Cc1ccc(Cl)cc1 ZINC000094145187 184756394 /nfs/dbraw/zinc/75/63/94/184756394.db2.gz HQQIEZGZVHJSPM-CYBMUJFWSA-N 1 0 263.772 2.447 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1c1ccn(C)n1 ZINC000094198023 184762269 /nfs/dbraw/zinc/76/22/69/184762269.db2.gz JYWRXZAKJSRFKQ-NEPJUHHUSA-N 1 0 250.390 2.023 10 0 CEAERO CC(C)(C)[NH2+]Cc1ccc(O[C@@H]2CCC[C@@H]2O)cn1 ZINC000094211735 184763587 /nfs/dbraw/zinc/76/35/87/184763587.db2.gz ILPKXPXEGSKGKJ-UONOGXRCSA-N 1 0 264.369 2.262 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccc(OCCOC(C)C)cn1 ZINC000094216414 184764119 /nfs/dbraw/zinc/76/41/19/184764119.db2.gz COVZIAMRVCNWJZ-GFCCVEGCSA-N 1 0 252.358 2.165 10 0 CEAERO CC[C@@](C)([NH3+])C(=O)N(Cc1ccc(C)o1)C1CC1 ZINC000094235173 184767709 /nfs/dbraw/zinc/76/77/09/184767709.db2.gz QODQJSBTESUNOA-CQSZACIVSA-N 1 0 250.342 2.206 10 0 CEAERO CCC[NH2+][C@@H]1[C@@H](N2CCn3cnnc3C2)CCCC1(C)C ZINC000094276057 184774843 /nfs/dbraw/zinc/77/48/43/184774843.db2.gz PBQWHOACTOYOPJ-DZGCQCFKSA-N 1 0 291.443 2.041 10 0 CEAERO CCOC(=O)CC1([NH3+])CCC(C(F)(F)F)CC1 ZINC000094290106 184776667 /nfs/dbraw/zinc/77/66/67/184776667.db2.gz AQQKBQJFKURCJF-UHFFFAOYSA-N 1 0 253.264 2.390 10 0 CEAERO Cc1cc(-c2noc(CC3([NH3+])CCC3)n2)cc(C)c1O ZINC000094292014 184776930 /nfs/dbraw/zinc/77/69/30/184776930.db2.gz XCCQHXNHJZZBKS-UHFFFAOYSA-N 1 0 273.336 2.483 10 0 CEAERO CC(C)OC(=O)c1ccc(NC(=O)CC2([NH3+])CCC2)cc1 ZINC000094293823 184777400 /nfs/dbraw/zinc/77/74/00/184777400.db2.gz MPODMPAWTDHXLS-UHFFFAOYSA-N 1 0 290.363 2.462 10 0 CEAERO CC1(C)CC[C@@](C[NH3+])(CCOCC(F)(F)F)[C@H]1O ZINC000094314746 184778940 /nfs/dbraw/zinc/77/89/40/184778940.db2.gz ZDYDTVLDTIVAAG-ONGXEEELSA-N 1 0 269.307 2.081 10 0 CEAERO CC1(C)CCC[C@H]1NC(=O)c1ccc(CC[NH3+])cc1 ZINC000094327548 184781208 /nfs/dbraw/zinc/78/12/08/184781208.db2.gz WMEAMYPSPQGXJK-CQSZACIVSA-N 1 0 260.381 2.496 10 0 CEAERO C[C@@H]1CC[C@H]([NH3+])[C@H](C(=O)N[C@@H]2CCCC2(C)C)C1 ZINC000094332783 184782724 /nfs/dbraw/zinc/78/27/24/184782724.db2.gz LOZFAJACXUSUOI-FVCCEPFGSA-N 1 0 252.402 2.445 10 0 CEAERO [NH3+]CCc1cc(F)c(OC[C@H]2CCCCO2)c(F)c1 ZINC000094349861 184786819 /nfs/dbraw/zinc/78/68/19/184786819.db2.gz PGJGQMYASJWVLD-LLVKDONJSA-N 1 0 271.307 2.414 10 0 CEAERO COCCCC[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000094370916 184790128 /nfs/dbraw/zinc/79/01/28/184790128.db2.gz AQYHSTOFWVOKEU-CHWSQXEVSA-N 1 0 259.415 2.057 10 0 CEAERO C[C@@H]1CCC[C@](CO)([NH2+][C@@H]2CCOC3(CCOCC3)C2)C1 ZINC000094372026 184790765 /nfs/dbraw/zinc/79/07/65/184790765.db2.gz MJOIGCRLHRXNPL-OAGGEKHMSA-N 1 0 297.439 2.245 10 0 CEAERO C[C@@H]([NH2+][C@H]1CCO[C@]2(CCOC2)C1)C1CCCC1 ZINC000094373208 184790998 /nfs/dbraw/zinc/79/09/98/184790998.db2.gz RZKWPXVLDJZRQT-VHDGCEQUSA-N 1 0 253.386 2.493 10 0 CEAERO CO[C@H](C)[C@H]([NH3+])[C@@H]1CCOC2(CCSCC2)C1 ZINC000094408090 184793894 /nfs/dbraw/zinc/79/38/94/184793894.db2.gz PTWWTUWSPALAIL-UTUOFQBUSA-N 1 0 259.415 2.041 10 0 CEAERO Cc1nn([C@@H]2CCO[C@@]3(CCOC3)C2)c(C)c1[C@@H](C)[NH3+] ZINC000094412338 184794627 /nfs/dbraw/zinc/79/46/27/184794627.db2.gz OANGASYIIURZNM-YVLXSGLVSA-N 1 0 279.384 2.030 10 0 CEAERO CC[C@H]([NH3+])Cc1cnn([C@@H]2CCOC3(CCC3)C2)c1 ZINC000094413268 184794715 /nfs/dbraw/zinc/79/47/15/184794715.db2.gz HRRNFQCTCKLLBE-UONOGXRCSA-N 1 0 263.385 2.437 10 0 CEAERO [NH3+][C@@H]1CC[C@H](c2nc(-c3ccc(Cl)cn3)no2)C1 ZINC000094842315 184879386 /nfs/dbraw/zinc/87/93/86/184879386.db2.gz NXBCXQAKXMQMLK-IONNQARKSA-N 1 0 264.716 2.380 10 0 CEAERO C[C@@]1(c2noc(C3CCC([NH3+])CC3)n2)CCCO1 ZINC000094780731 184861508 /nfs/dbraw/zinc/86/15/08/184861508.db2.gz ZOCUIQWTNSCGTI-ZPPKWKGLSA-N 1 0 251.330 2.080 10 0 CEAERO C[C@@]1(C[NH2+]C[C@H]2OCCc3ccccc32)CCCO1 ZINC000094801471 184867551 /nfs/dbraw/zinc/86/75/51/184867551.db2.gz OIBPWIVPMCLBHM-CVEARBPZSA-N 1 0 261.365 2.459 10 0 CEAERO CCN(CC)C(=O)CC[NH2+][C@@H]1CCCS[C@@H]1C ZINC000094477812 184808063 /nfs/dbraw/zinc/80/80/63/184808063.db2.gz RLGIBDALGZFKJH-VXGBXAGGSA-N 1 0 258.431 2.119 10 0 CEAERO C[C@H]1C[C@]2(C[NH+]=C(N)N2Cc2ccccc2)CS1 ZINC000094475184 184808179 /nfs/dbraw/zinc/80/81/79/184808179.db2.gz QVABNEGBCUMSDL-FZMZJTMJSA-N 1 0 261.394 2.081 10 0 CEAERO CC1(C)CCSC[C@@]1([NH2+]C1CCCCC1)C(N)=O ZINC000094484589 184808328 /nfs/dbraw/zinc/80/83/28/184808328.db2.gz GXGVILNLBRDQTJ-CQSZACIVSA-N 1 0 270.442 2.296 10 0 CEAERO CC[C@@H]([NH3+])[C@H](C)c1nc(CCC(F)(F)F)no1 ZINC000094494212 184809698 /nfs/dbraw/zinc/80/96/98/184809698.db2.gz HDSIBWAUWHWFOJ-NKWVEPMBSA-N 1 0 251.252 2.405 10 0 CEAERO CCC[C@H](C[NH3+])c1nc(CCC(F)(F)F)no1 ZINC000094492029 184810001 /nfs/dbraw/zinc/81/00/01/184810001.db2.gz RSQWEXTTZCKXRD-SSDOTTSWSA-N 1 0 251.252 2.407 10 0 CEAERO C[NH2+][C@@H](CCC(F)(F)F)Cc1ncnn1CC(C)C ZINC000094492918 184810044 /nfs/dbraw/zinc/81/00/44/184810044.db2.gz GHXWUAIDJWCRQC-JTQLQIEISA-N 1 0 278.322 2.407 10 0 CEAERO CC[C@H]([NH3+])Cc1ccnc([C@@H]2CSCCS2)n1 ZINC000094500128 184810457 /nfs/dbraw/zinc/81/04/57/184810457.db2.gz BNXYXEMPHIMTFP-ONGXEEELSA-N 1 0 269.439 2.278 10 0 CEAERO C[NH2+][C@H](C)[C@@H](C)c1nc([C@@H]2CSCCS2)no1 ZINC000094500568 184811204 /nfs/dbraw/zinc/81/12/04/184811204.db2.gz CVNORLAFEBFJTL-HLTSFMKQSA-N 1 0 273.427 2.302 10 0 CEAERO [NH3+][C@@H](Cc1ccc(F)cc1Cl)[C@H]1CSCCO1 ZINC000094502462 184811789 /nfs/dbraw/zinc/81/17/89/184811789.db2.gz PEUGGIIBNAQJEM-NWDGAFQWSA-N 1 0 275.776 2.481 10 0 CEAERO C[C@]12CC3CC(C(=O)NC4C[NH2+]C4)(C1)C[C@@](C)(C3)C2 ZINC000094544121 184815040 /nfs/dbraw/zinc/81/50/40/184815040.db2.gz CVOQBQYVSXLISI-ZDELEMRZSA-N 1 0 262.397 2.071 10 0 CEAERO CC(C)Oc1cccc(C(=O)N2C[C@H]([NH3+])C[C@H](C)C2)c1 ZINC000094549093 184815634 /nfs/dbraw/zinc/81/56/34/184815634.db2.gz PDDSAZFSWOJESF-GXTWGEPZSA-N 1 0 276.380 2.283 10 0 CEAERO COc1ccc(CN2C[C@H](C)C[C@@H]([NH3+])C2)cc1F ZINC000094548048 184815763 /nfs/dbraw/zinc/81/57/63/184815763.db2.gz MGGURZPLISMKOB-ZYHUDNBSSA-N 1 0 252.333 2.003 10 0 CEAERO C[C@@H]1C[C@H]([NH3+])CN(C(=O)Nc2cccc(F)c2)C1 ZINC000094550105 184816618 /nfs/dbraw/zinc/81/66/18/184816618.db2.gz YVQSZURTRMGHQE-KOLCDFICSA-N 1 0 251.305 2.027 10 0 CEAERO CC(C)c1ccc(NC(=O)[C@@H]2CC[C@@H](C[NH3+])O2)cc1 ZINC000094563377 184818231 /nfs/dbraw/zinc/81/82/31/184818231.db2.gz IXQXIOZCJLTVCY-KBPBESRZSA-N 1 0 262.353 2.255 10 0 CEAERO CCOc1cccc(NC(=O)c2ccc(C[NH3+])o2)c1 ZINC000094567538 184819406 /nfs/dbraw/zinc/81/94/06/184819406.db2.gz PFTZVCURMDZCKP-UHFFFAOYSA-N 1 0 260.293 2.389 10 0 CEAERO CC[C@@H](C[NH3+])NC(=O)c1cc(C(F)(F)F)ccc1F ZINC000094597021 184822901 /nfs/dbraw/zinc/82/29/01/184822901.db2.gz CFICIFXPYMBNBB-QMMMGPOBSA-N 1 0 278.249 2.312 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1NC(=O)c1cccc(C(F)(F)F)c1F ZINC000094599894 184823732 /nfs/dbraw/zinc/82/37/32/184823732.db2.gz HWACMBLFKLQPST-NXEZZACHSA-N 1 0 290.260 2.454 10 0 CEAERO C[NH2+][C@@](C)(CCCSc1cccc(F)c1)C(N)=O ZINC000094624210 184828906 /nfs/dbraw/zinc/82/89/06/184828906.db2.gz GCMXJGVXYKVZFR-ZDUSSCGKSA-N 1 0 270.373 2.161 10 0 CEAERO COc1ccc(C[C@H]([NH3+])Cc2ccc(F)cc2)cn1 ZINC000094632203 184829466 /nfs/dbraw/zinc/82/94/66/184829466.db2.gz ZDJCCEXPTILIMF-CQSZACIVSA-N 1 0 260.312 2.342 10 0 CEAERO CC[NH2+][C@@H](COC(C)C)Cc1ccc(OC)nc1 ZINC000094633148 184830648 /nfs/dbraw/zinc/83/06/48/184830648.db2.gz RYSHIWJQFWMGJM-CYBMUJFWSA-N 1 0 252.358 2.036 10 0 CEAERO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000094635678 184831723 /nfs/dbraw/zinc/83/17/23/184831723.db2.gz NSMLFADADCZWCS-ZJIFWQFVSA-N 1 0 293.432 2.488 10 0 CEAERO CC1(C)C[NH2+][C@H](C2CC2)CN1Cc1cccc(O)c1 ZINC000094690396 184839358 /nfs/dbraw/zinc/83/93/58/184839358.db2.gz ANZBWMJOKRQYMM-HNNXBMFYSA-N 1 0 260.381 2.355 10 0 CEAERO CCN(C(=O)Cc1cccc(F)c1F)C1CC[NH2+]CC1 ZINC000094713508 184845440 /nfs/dbraw/zinc/84/54/40/184845440.db2.gz LALOUHLCLCRFGM-UHFFFAOYSA-N 1 0 282.334 2.108 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1C(=O)Cc1cccc(F)c1F ZINC000094713550 184846005 /nfs/dbraw/zinc/84/60/05/184846005.db2.gz DQHNYPCJLQVGGP-GFCCVEGCSA-N 1 0 282.334 2.108 10 0 CEAERO O[C@H](c1c[nH]nc1-c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000094724821 184847375 /nfs/dbraw/zinc/84/73/75/184847375.db2.gz CYQBDQKMEYYLST-DZGCQCFKSA-N 1 0 257.337 2.252 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@H](C2CC2)CN1Cc1nccs1 ZINC000094980490 184909874 /nfs/dbraw/zinc/90/98/74/184909874.db2.gz DVWWRLUSCKNBTP-JSGCOSHPSA-N 1 0 265.426 2.496 10 0 CEAERO COc1ncccc1CO[C@]1(C[NH3+])CC[C@@H](C)C1 ZINC000095005574 184913233 /nfs/dbraw/zinc/91/32/33/184913233.db2.gz IGPAVALEXHUTFL-BXUZGUMPSA-N 1 0 250.342 2.124 10 0 CEAERO CC(C)CN(CCC[NH3+])C(=O)Cc1c(F)cccc1F ZINC000095045451 184923334 /nfs/dbraw/zinc/92/33/34/184923334.db2.gz ATTRQUBQZKYFEW-UHFFFAOYSA-N 1 0 284.350 2.341 10 0 CEAERO Cc1cc(OCC[C@@H]2CCC[NH2+]C2)nc(Cl)n1 ZINC000095068991 184931382 /nfs/dbraw/zinc/93/13/82/184931382.db2.gz OETJUUZEGKZOKM-JTQLQIEISA-N 1 0 255.749 2.207 10 0 CEAERO c1ccc2nc(N[C@H]3CCC[NH2+]C3)c(NC3CC3)nc2c1 ZINC000095092785 184941699 /nfs/dbraw/zinc/94/16/99/184941699.db2.gz HOANCQQZWWHVIC-LBPRGKRZSA-N 1 0 283.379 2.368 10 0 CEAERO COc1ccc(F)c(NC(=O)C2(C)CC[NH2+]CC2)c1 ZINC000094854973 184881940 /nfs/dbraw/zinc/88/19/40/184881940.db2.gz IMWPNVNNTHBXHO-UHFFFAOYSA-N 1 0 266.316 2.163 10 0 CEAERO Cc1cscc1CNC(=O)c1ccc(C[NH3+])o1 ZINC000094877291 184886238 /nfs/dbraw/zinc/88/62/38/184886238.db2.gz RXCJAOIIDFDVDB-UHFFFAOYSA-N 1 0 250.323 2.038 10 0 CEAERO Cc1ccsc1CN1CC[C@H]([NH2+]C(C)C)C1=O ZINC000094884860 184887295 /nfs/dbraw/zinc/88/72/95/184887295.db2.gz CLGCDBBIMIYOMS-NSHDSACASA-N 1 0 252.383 2.155 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1CNc1ncnc2c1CCCCC2 ZINC000094888827 184888631 /nfs/dbraw/zinc/88/86/31/184888631.db2.gz GXBRWEGSBJYUOO-WCQYABFASA-N 1 0 260.385 2.285 10 0 CEAERO CCn1c2ccccc2nc1C[C@H]([NH3+])c1ncc[nH]1 ZINC000094938063 184896861 /nfs/dbraw/zinc/89/68/61/184896861.db2.gz FCNAMADHUKYGQP-JTQLQIEISA-N 1 0 255.325 2.022 10 0 CEAERO CC[C@H](CC[NH3+])CNC(=O)c1ccc(C)cc1F ZINC000094962015 184906391 /nfs/dbraw/zinc/90/63/91/184906391.db2.gz CFVUKTKYAFEXLO-LLVKDONJSA-N 1 0 252.333 2.239 10 0 CEAERO C[C@@H]1Oc2ccccc2N(CCC2CC[NH2+]CC2)C1=O ZINC000041671445 134884281 /nfs/dbraw/zinc/88/42/81/134884281.db2.gz OGTRCNLLXFNKDH-LBPRGKRZSA-N 1 0 274.364 2.190 10 0 CEAERO CC(C)[NH2+]Cc1ccccc1N1CCCC[C@@H]1C(N)=O ZINC000042405703 134888679 /nfs/dbraw/zinc/88/86/79/134888679.db2.gz GQGNUAZJSUOZLW-OAHLLOKOSA-N 1 0 275.396 2.029 10 0 CEAERO Cc1ccnc(N2CCC[C@@H](C[NH2+]C(C)(C)C)C2)n1 ZINC000061860003 134931448 /nfs/dbraw/zinc/93/14/48/134931448.db2.gz MJPDDRYXTIKRSI-ZDUSSCGKSA-N 1 0 262.401 2.390 10 0 CEAERO [NH3+][C@H]1CCCN(c2cncc(OC3CCCC3)c2)C1 ZINC000070488394 134950660 /nfs/dbraw/zinc/95/06/60/134950660.db2.gz CWZVWDWWYQNOTO-LBPRGKRZSA-N 1 0 261.369 2.331 10 0 CEAERO CC[C@H]1CN(c2ccc(C(F)(F)F)nc2)CC[NH2+]1 ZINC000083431684 135021118 /nfs/dbraw/zinc/02/11/18/135021118.db2.gz UQRLBNKTIRBVMB-VIFPVBQESA-N 1 0 259.275 2.289 10 0 CEAERO c1ccc2ncc(N3CC[NH2+][C@@H](C4CC4)C3)cc2c1 ZINC000086147778 135039376 /nfs/dbraw/zinc/03/93/76/135039376.db2.gz CIEFMMQSDGIKRB-MRXNPFEDSA-N 1 0 253.349 2.423 10 0 CEAERO Cc1cc(Br)cnc1N1CCCC[C@@H]1C[NH3+] ZINC000086708426 135048335 /nfs/dbraw/zinc/04/83/35/135048335.db2.gz MTTPWQOQJPRLAH-LLVKDONJSA-N 1 0 284.201 2.470 10 0 CEAERO Nc1ccccc1N1CC[NH+](CCC[C@@H]2CCCO2)CC1 ZINC000087263309 135049788 /nfs/dbraw/zinc/04/97/88/135049788.db2.gz JNWSPNHMFHPFCE-OAHLLOKOSA-N 1 0 289.423 2.350 10 0 CEAERO CSc1nc(N2CCCC(C)(C)C2)cc(NN)[nH+]1 ZINC000087879224 135052147 /nfs/dbraw/zinc/05/21/47/135052147.db2.gz FZODXYWKIBATGF-UHFFFAOYSA-N 1 0 267.402 2.111 10 0 CEAERO C[C@@H]1CCc2ccccc2N1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000089717471 135060174 /nfs/dbraw/zinc/06/01/74/135060174.db2.gz TUSIBJZGNCNHKM-OLZOCXBDSA-N 1 0 258.365 2.354 10 0 CEAERO CC[NH2+][C@@H]1COC[C@H]1CN1CCCc2ccccc21 ZINC000090493504 135063067 /nfs/dbraw/zinc/06/30/67/135063067.db2.gz VSZLNBAOMFINCU-HUUCEWRRSA-N 1 0 260.381 2.064 10 0 CEAERO Cc1ccc2c(c1)CCCN2C[C@]1(C)COC[C@@H]1[NH3+] ZINC000090606470 135063418 /nfs/dbraw/zinc/06/34/18/135063418.db2.gz DJEJXTLSMXYUIU-JKSUJKDBSA-N 1 0 260.381 2.111 10 0 CEAERO CCCOc1cc(N2CCC([C@@H]3CCC[NH2+]3)CC2)ncn1 ZINC000090785187 135064852 /nfs/dbraw/zinc/06/48/52/135064852.db2.gz RYQUBNFDXJENHA-AWEZNQCLSA-N 1 0 290.411 2.234 10 0 CEAERO CCC[NH2+]C[C@@H]1CCCCN1c1cc(OC)nc(C)n1 ZINC000090787302 135065098 /nfs/dbraw/zinc/06/50/98/135065098.db2.gz FOTVWVKAQPNQQC-ZDUSSCGKSA-N 1 0 278.400 2.152 10 0 CEAERO CCC[NH2+]C[C@@H]1CCCN(c2ncnc(OC)c2C)C1 ZINC000090789062 135065468 /nfs/dbraw/zinc/06/54/68/135065468.db2.gz KNOJJRKOZVOOBH-ZDUSSCGKSA-N 1 0 278.400 2.010 10 0 CEAERO Fc1ccc(N2C[C@H]3CC[C@@H](C2)O3)c(C[NH2+]C2CC2)c1 ZINC000090906755 135066113 /nfs/dbraw/zinc/06/61/13/135066113.db2.gz YZQGPNSZMBHLOA-GASCZTMLSA-N 1 0 276.355 2.445 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(c2ccc(F)cc2C=O)C1 ZINC000091392894 135068309 /nfs/dbraw/zinc/06/83/09/135068309.db2.gz GQTIFBICIAXTPR-CYBMUJFWSA-N 1 0 250.317 2.169 10 0 CEAERO CC[NH2+][C@H](C)C(C)(C)CN1CCN(c2ccccn2)CC1 ZINC000091402493 135069026 /nfs/dbraw/zinc/06/90/26/135069026.db2.gz VSTCYVCZJRDJKD-OAHLLOKOSA-N 1 0 290.455 2.228 10 0 CEAERO C[NH2+]Cc1cncc(N2CC[C@@H]3CCCC[C@@H]3C2)n1 ZINC000091419587 135069361 /nfs/dbraw/zinc/06/93/61/135069361.db2.gz BWPYNQNZMGVURI-QWHCGFSZSA-N 1 0 260.385 2.213 10 0 CEAERO COc1ccccc1N1CC[NH+](CC(C)(C)[C@@H](C)O)CC1 ZINC000091405709 135069417 /nfs/dbraw/zinc/06/94/17/135069417.db2.gz VPULGYQOCQBGND-CQSZACIVSA-N 1 0 292.423 2.224 10 0 CEAERO Cc1cc(F)cc(N2CCC[C@H]([NH2+]C3CC3)C2=O)c1 ZINC000091527217 135071115 /nfs/dbraw/zinc/07/11/15/135071115.db2.gz DOVDBWGZSFPVQT-AWEZNQCLSA-N 1 0 262.328 2.382 10 0 CEAERO [NH3+][C@@H]1Cc2ccccc2N(C(=O)N2CCCCCC2)C1 ZINC000091971672 135074427 /nfs/dbraw/zinc/07/44/27/135074427.db2.gz LBKKXDFBXIOGGD-CQSZACIVSA-N 1 0 273.380 2.372 10 0 CEAERO C[C@H]1CCCN(C(=O)N2C[C@H]([NH3+])Cc3ccccc32)C1 ZINC000091991328 135074692 /nfs/dbraw/zinc/07/46/92/135074692.db2.gz UUGNNDDHXFARII-GXTWGEPZSA-N 1 0 273.380 2.228 10 0 CEAERO C[C@@H]1CN(c2cccc(F)c2C(N)=[NH2+])CC(C)(C)O1 ZINC000093408878 135080976 /nfs/dbraw/zinc/08/09/76/135080976.db2.gz QPEHTQOUIHICFJ-SECBINFHSA-N 1 0 265.332 2.113 10 0 CEAERO C[C@H](O)c1ccc(N2CCC(C[NH+](C)C)CC2)cc1O ZINC000093672367 135081971 /nfs/dbraw/zinc/08/19/71/135081971.db2.gz KSHRCVDNXIIPNZ-LBPRGKRZSA-N 1 0 278.396 2.224 10 0 CEAERO COC(=O)C(C)(C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000093718092 135082078 /nfs/dbraw/zinc/08/20/78/135082078.db2.gz HALGURGOQPOJHB-UHFFFAOYSA-N 1 0 276.380 2.008 10 0 CEAERO Cc1nc(Cl)c(C)c(N2CC[N@@H+]3CCCC[C@@H]3C2)n1 ZINC000094442693 135088968 /nfs/dbraw/zinc/08/89/68/135088968.db2.gz RAQGWNPKDDICAB-GFCCVEGCSA-N 1 0 280.803 2.421 10 0 CEAERO [NH3+][C@@H]1CCCc2ccc(Br)cc2[C@@H]1O ZINC000019795574 394469889 /nfs/dbraw/zinc/46/98/89/394469889.db2.gz LJJQRMGJXRGYMM-MNOVXSKESA-N 1 0 256.143 2.146 10 0 CEAERO CCC[C@H]([NH3+])C(=O)NCc1cc(C)ccc1OC(F)F ZINC000236878378 394488769 /nfs/dbraw/zinc/48/87/69/394488769.db2.gz YHULZFXHTUSDJY-NSHDSACASA-N 1 0 286.322 2.340 10 0 CEAERO COc1c(C)cnc(C[NH2+][C@H](C)[C@H]2CCCO2)c1C ZINC000035735738 394494581 /nfs/dbraw/zinc/49/45/81/394494581.db2.gz PFRALRBXFSZNRM-TZMCWYRMSA-N 1 0 264.369 2.364 10 0 CEAERO CC(C)C[C@H](CN(C)C)[NH2+]Cc1cccc2c1OCO2 ZINC000037166629 394496125 /nfs/dbraw/zinc/49/61/25/394496125.db2.gz PKWLFUZLMWMAKF-CQSZACIVSA-N 1 0 278.396 2.481 10 0 CEAERO CCC(CC)NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000246167696 394510162 /nfs/dbraw/zinc/51/01/62/394510162.db2.gz LBEFWTUOYCGNAK-KBPBESRZSA-N 1 0 267.417 2.443 10 0 CEAERO CN(CCCOc1ccccc1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054307944 394560190 /nfs/dbraw/zinc/56/01/90/394560190.db2.gz IPZDFERIVOUQQX-OAHLLOKOSA-N 1 0 290.407 2.304 10 0 CEAERO CC(C)(C)OC(=O)CC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000055059082 394561454 /nfs/dbraw/zinc/56/14/54/394561454.db2.gz ZSXNFZFSCUGYIM-QWHCGFSZSA-N 1 0 269.385 2.362 10 0 CEAERO Cc1nc(Cl)cc(N2CC[N@@H+]3CCCC[C@H]3C2)n1 ZINC000252668406 394573034 /nfs/dbraw/zinc/57/30/34/394573034.db2.gz WNEFSGRBEIVVAC-NSHDSACASA-N 1 0 266.776 2.113 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](Nc2nc(Br)cs2)C1 ZINC000306770967 394517743 /nfs/dbraw/zinc/51/77/43/394517743.db2.gz QYIDFESLACPCHG-PHDIDXHHSA-N 1 0 262.176 2.197 10 0 CEAERO C[C@H](c1cncc(F)c1)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000311225672 394536625 /nfs/dbraw/zinc/53/66/25/394536625.db2.gz WYYYSBDIXVPMSE-JTNHKYCSSA-N 1 0 251.349 2.198 10 0 CEAERO CC[C@@H]1CN(C(=O)[C@@H]2C[C@]2(C)C(C)C)CC[N@@H+]1CCOC ZINC000248481106 394541748 /nfs/dbraw/zinc/54/17/48/394541748.db2.gz RXDGOEXRZHLNBB-HLLBOEOZSA-N 1 0 296.455 2.238 10 0 CEAERO O=C1Nc2ccccc2CC[C@@H]1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248845898 394548062 /nfs/dbraw/zinc/54/80/62/394548062.db2.gz NCOZEECQJMGIMJ-RDJZCZTQSA-N 1 0 299.418 2.110 10 0 CEAERO FC(F)Oc1ccc(NC[C@H]2CCCC[NH2+]2)nc1 ZINC000327882808 394550464 /nfs/dbraw/zinc/55/04/64/394550464.db2.gz MBQSAEXQXACNTA-SECBINFHSA-N 1 0 257.284 2.237 10 0 CEAERO Oc1cccc(C[NH2+][C@@H]2CCC[C@@H](O)C2)c1Cl ZINC000328254856 394551830 /nfs/dbraw/zinc/55/18/30/394551830.db2.gz UAEDMEUCNVBYOJ-GHMZBOCLSA-N 1 0 255.745 2.439 10 0 CEAERO COc1cccc(C[NH2+]CC2CC(O)C2)c1OC(F)F ZINC000091415646 394657122 /nfs/dbraw/zinc/65/71/22/394657122.db2.gz JOIJDXFBTVDRIY-UHFFFAOYSA-N 1 0 287.306 2.157 10 0 CEAERO Clc1ccc2c(c1)CC[C@H]2[NH2+]CCn1cncn1 ZINC000268837782 394701319 /nfs/dbraw/zinc/70/13/19/394701319.db2.gz QAAUPRFJVJRNKZ-CYBMUJFWSA-N 1 0 262.744 2.209 10 0 CEAERO CC(C)c1ccc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000107424000 394727350 /nfs/dbraw/zinc/72/73/50/394727350.db2.gz FSNCXSWVJZTLJG-CQSZACIVSA-N 1 0 296.436 2.135 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)N(C)CCC2CC2)[C@@H](C)C1 ZINC000122432548 394814050 /nfs/dbraw/zinc/81/40/50/394814050.db2.gz UGZCBDBDCGBGNF-JSGCOSHPSA-N 1 0 267.417 2.157 10 0 CEAERO CCCN(CC[NH+](CC)CC)Cc1nnc(C)n1CC ZINC000122561883 394815216 /nfs/dbraw/zinc/81/52/16/394815216.db2.gz OOMPJWCEWNXWII-UHFFFAOYSA-N 1 0 281.448 2.160 10 0 CEAERO CC[C@](C)(O)C[NH+]1CCN(C(=O)CCC2CCCC2)CC1 ZINC000123351849 394826958 /nfs/dbraw/zinc/82/69/58/394826958.db2.gz AAXUNJNOGOAUOT-KRWDZBQOSA-N 1 0 296.455 2.262 10 0 CEAERO CCOCCN1CC[N@@H+](C2CCCC2)C[C@@H]1CC ZINC000131510720 394912122 /nfs/dbraw/zinc/91/21/22/394912122.db2.gz CXWLSOUVGMCBMQ-AWEZNQCLSA-N 1 0 254.418 2.362 10 0 CEAERO CC[C@H](O)CN1CC[NH+](C[C@@H](C)Cc2ccccc2)CC1 ZINC000132334939 394928512 /nfs/dbraw/zinc/92/85/12/394928512.db2.gz ALCPKIDVRGDKRR-WMZOPIPTSA-N 1 0 290.451 2.254 10 0 CEAERO Cn1c(Cl)cnc1CN1CC[C@@H](Oc2cccnc2)C1 ZINC000152214962 394990136 /nfs/dbraw/zinc/99/01/36/394990136.db2.gz RWYBWTXBXGUOMM-GFCCVEGCSA-N 1 0 292.770 2.122 10 0 CEAERO CC(C)OCCC[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152210471 394990683 /nfs/dbraw/zinc/99/06/83/394990683.db2.gz ZNEDPXDFZXJTFP-HNNXBMFYSA-N 1 0 264.369 2.350 10 0 CEAERO CC[C@@H]1CN(CC[N@H+](C)Cc2ccc(F)cc2)CCO1 ZINC000158679118 395051096 /nfs/dbraw/zinc/05/10/96/395051096.db2.gz JNUUFEVIQFZTGS-MRXNPFEDSA-N 1 0 280.387 2.368 10 0 CEAERO CC[C@H]1CN(CC[N@H+](C)Cc2ccc(F)cc2)CCO1 ZINC000158679262 395051728 /nfs/dbraw/zinc/05/17/28/395051728.db2.gz JNUUFEVIQFZTGS-INIZCTEOSA-N 1 0 280.387 2.368 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1cnc2ccccc2c1 ZINC000380166321 395166630 /nfs/dbraw/zinc/16/66/30/395166630.db2.gz AJNUTPVYTHTMAB-IUODEOHRSA-N 1 0 269.348 2.092 10 0 CEAERO C[C@@H](CN(C)Cc1ccccc1)[NH2+]C[C@H](O)C(F)(F)F ZINC000380974279 395170891 /nfs/dbraw/zinc/17/08/91/395170891.db2.gz GLZAMYZQHOXZLO-AAEUAGOBSA-N 1 0 290.329 2.020 10 0 CEAERO COc1ccc(F)cc1C[N@@H+]1C[C@H](O)CC[C@@H]1C ZINC000399198787 395242012 /nfs/dbraw/zinc/24/20/12/395242012.db2.gz FCTQGPPMFPCRHU-GXFFZTMASA-N 1 0 253.317 2.180 10 0 CEAERO CC(C)OCCNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000185268750 395278074 /nfs/dbraw/zinc/27/80/74/395278074.db2.gz NOOWWPZDRZIWPH-HNNXBMFYSA-N 1 0 293.411 2.014 10 0 CEAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccns1 ZINC000404287913 395281203 /nfs/dbraw/zinc/28/12/03/395281203.db2.gz JANUJMYPZLVPDA-RYUDHWBXSA-N 1 0 251.399 2.202 10 0 CEAERO CCC[C@H](C)[N@@H+]1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000187684591 395304468 /nfs/dbraw/zinc/30/44/68/395304468.db2.gz LSLYOMXDVQFECR-ZFWWWQNUSA-N 1 0 265.401 2.389 10 0 CEAERO COc1ccc([C@H](C)[NH2+]C[C@H](O)CSC)cc1OC ZINC000188219755 395312658 /nfs/dbraw/zinc/31/26/58/395312658.db2.gz AXGNLQOUYYOPPF-JQWIXIFHSA-N 1 0 285.409 2.078 10 0 CEAERO O[C@@H]1CCCC[C@H]1[C@H]1CCC[N@@H+]1CCc1cnccn1 ZINC000402900835 395272622 /nfs/dbraw/zinc/27/26/22/395272622.db2.gz HDXRGNJGOWUMQZ-ARFHVFGLSA-N 1 0 275.396 2.035 10 0 CEAERO CCOCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccs1 ZINC000192588094 395387579 /nfs/dbraw/zinc/38/75/79/395387579.db2.gz AMPQHLOZDJAMLU-VXGBXAGGSA-N 1 0 284.425 2.330 10 0 CEAERO C[C@@H]1CCC[C@H](NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000190972377 395345082 /nfs/dbraw/zinc/34/50/82/395345082.db2.gz RVNMIJULBXMGLJ-QLFBSQMISA-N 1 0 279.428 2.445 10 0 CEAERO CCCCOC[C@H](O)C[NH2+]C(C)(C)c1nccs1 ZINC000195188899 395461382 /nfs/dbraw/zinc/46/13/82/395461382.db2.gz LLSRRAWOYJUAFW-LLVKDONJSA-N 1 0 272.414 2.145 10 0 CEAERO CCCCOC[C@@H](O)C[NH2+][C@](C)(CO)C1CCCCC1 ZINC000195178511 395461422 /nfs/dbraw/zinc/46/14/22/395461422.db2.gz HSPIOZILFZYQCV-JKSUJKDBSA-N 1 0 287.444 2.085 10 0 CEAERO Cc1ccc2c(CC(=O)NCC[C@@H](C)[NH3+])coc2c1 ZINC000574277319 395627249 /nfs/dbraw/zinc/62/72/49/395627249.db2.gz OSVMXMIGKANPIA-LLVKDONJSA-N 1 0 260.337 2.137 10 0 CEAERO c1ccc2c(c1)CC[C@H]([NH+]1CCC3(CC1)OCCO3)C2 ZINC000584615360 395665509 /nfs/dbraw/zinc/66/55/09/395665509.db2.gz ODUGSSAEVZLVAS-INIZCTEOSA-N 1 0 273.376 2.383 10 0 CEAERO CC1(C)C[NH2+][C@H]1C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000649317746 396119761 /nfs/dbraw/zinc/11/97/61/396119761.db2.gz PZOMSKFDZVQBJI-MNOVXSKESA-N 1 0 279.409 2.195 10 0 CEAERO Cc1ccc(OCCCC(=O)NCC[C@@H](C)[NH3+])cc1 ZINC000646678744 396368418 /nfs/dbraw/zinc/36/84/18/396368418.db2.gz KXFOMGXOHRRKOH-CYBMUJFWSA-N 1 0 264.369 2.008 10 0 CEAERO CC[C@@H]([NH3+])C(=O)N[C@H](C)c1ccccc1Br ZINC000037014598 400114647 /nfs/dbraw/zinc/11/46/47/400114647.db2.gz XLFDAXHPKKRAHK-LDYMZIIASA-N 1 0 285.185 2.364 10 0 CEAERO CCS(=O)(=O)c1ccc(NC[C@@H]2CCCC[NH2+]2)cc1 ZINC000044493553 400145540 /nfs/dbraw/zinc/14/55/40/400145540.db2.gz PYEPJOOTLHCGOF-ZDUSSCGKSA-N 1 0 282.409 2.034 10 0 CEAERO CC[C@@H]1CN(c2ccnc(Cl)c2)CC[N@@H+]1CCOC ZINC000125514489 400278902 /nfs/dbraw/zinc/27/89/02/400278902.db2.gz MDZQEUAXFPAOJB-GFCCVEGCSA-N 1 0 283.803 2.282 10 0 CEAERO COC[C@H](CCO)[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000223979614 400311823 /nfs/dbraw/zinc/31/18/23/400311823.db2.gz XBIIZSIQEJOILX-BYNSBNAKSA-N 1 0 257.418 2.434 10 0 CEAERO Cc1cnc([C@H](C)NC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)o1 ZINC000300712509 400330008 /nfs/dbraw/zinc/33/00/08/400330008.db2.gz KYTVROLBKSRITJ-DRZSPHRISA-N 1 0 279.384 2.186 10 0 CEAERO CC(C)C[C@@H]1C[C@H]1[NH2+]C[C@@H](O)COCc1ccco1 ZINC000385361506 400521788 /nfs/dbraw/zinc/52/17/88/400521788.db2.gz PIKICYAPMCXFAR-UMVBOHGHSA-N 1 0 267.369 2.181 10 0 CEAERO [NH3+]C1CCC(C(=O)N[C@@H]2CC23CCCCC3)CC1 ZINC000387257637 400530738 /nfs/dbraw/zinc/53/07/38/400530738.db2.gz KTTSVINKVYIILJ-WXRRBKDZSA-N 1 0 250.386 2.343 10 0 CEAERO Cc1cc(Br)cnc1NCCC1CC[NH2+]CC1 ZINC000650311022 400866953 /nfs/dbraw/zinc/86/69/53/400866953.db2.gz JOQQKKGYTQYCOE-UHFFFAOYSA-N 1 0 298.228 2.376 10 0 CEAERO CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)N(C)C2CC2)C12CCCC2 ZINC000121223417 286245484 /nfs/dbraw/zinc/24/54/84/286245484.db2.gz OWDDLWWLDMGCLN-HUUCEWRRSA-N 1 0 294.439 2.277 10 0 CEAERO CC(C)[NH+](CCCNC(=O)[C@@H]1CCCO[C@@H]1C)C(C)C ZINC000188654478 153065812 /nfs/dbraw/zinc/06/58/12/153065812.db2.gz ALQASUUPPREPCY-HUUCEWRRSA-N 1 0 284.444 2.427 10 0 CEAERO CCOC[C@H](NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)C(C)C ZINC000191059353 153154960 /nfs/dbraw/zinc/15/49/60/153154960.db2.gz IXXBXHFZNXEGOW-ZNMIVQPWSA-N 1 0 299.459 2.075 10 0 CEAERO C[C@H]([NH2+]CC(=O)N1c2ccccc2C[C@H]1C)[C@@H]1CCCO1 ZINC000193124674 153227114 /nfs/dbraw/zinc/22/71/14/153227114.db2.gz HJHGZQJHCIBAKB-WWGRRREGSA-N 1 0 288.391 2.121 10 0 CEAERO Cc1ccc(O[C@H](C)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000195310653 153283166 /nfs/dbraw/zinc/28/31/66/153283166.db2.gz QFOSQABZDDDXLG-HUUCEWRRSA-N 1 0 288.391 2.069 10 0 CEAERO C[C@@H](CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000195309177 153283731 /nfs/dbraw/zinc/28/37/31/153283731.db2.gz DPFPWYSGAQTMLY-GOEBONIOSA-N 1 0 272.392 2.487 10 0 CEAERO CCSc1cc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)ccn1 ZINC000195337131 153288242 /nfs/dbraw/zinc/28/82/42/153288242.db2.gz VNOGYHHWHFDVRI-ZDUSSCGKSA-N 1 0 291.420 2.114 10 0 CEAERO C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCCNC1=O ZINC000223059661 153316279 /nfs/dbraw/zinc/31/62/79/153316279.db2.gz FNXWKDYPBRPUNL-GXFFZTMASA-N 1 0 266.772 2.139 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]CCCCCO)c1C ZINC000228733881 153366283 /nfs/dbraw/zinc/36/62/83/153366283.db2.gz WNPASRJGQZGFEF-NSHDSACASA-N 1 0 253.390 2.333 10 0 CEAERO CC(C)[C@H]([NH3+])CCN(C)c1nc(C(F)(F)F)ns1 ZINC000228793095 153366301 /nfs/dbraw/zinc/36/63/01/153366301.db2.gz CKNOIAMLJYXMOG-SSDOTTSWSA-N 1 0 282.335 2.367 10 0 CEAERO CC(C)C[C@@H](C[NH3+])Nc1nc(C(F)(F)F)ns1 ZINC000228790018 153368106 /nfs/dbraw/zinc/36/81/06/153368106.db2.gz SYUQIKBPFSEQTN-LURJTMIESA-N 1 0 268.308 2.342 10 0 CEAERO Cc1cnc([C@@H](C)NC[C@@H](O)COc2ccccc2)o1 ZINC000230642424 153392533 /nfs/dbraw/zinc/39/25/33/153392533.db2.gz YBFYULKZWJOCDB-CHWSQXEVSA-N 1 0 276.336 2.074 10 0 CEAERO C[C@@H]([NH3+])[C@H]1CCCN(c2cncc(Br)c2)C1 ZINC000261595133 153784501 /nfs/dbraw/zinc/78/45/01/153784501.db2.gz XWPJEEDJZWYAHL-ZJUUUORDSA-N 1 0 284.201 2.408 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2nccn2C)C12CCOCC2 ZINC000248639554 286402564 /nfs/dbraw/zinc/40/25/64/286402564.db2.gz NAWOZIGOVGRRJE-HZSPNIEDSA-N 1 0 293.411 2.045 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)C1(c2cccc(Cl)c2)CC1 ZINC000261727040 153819534 /nfs/dbraw/zinc/81/95/34/153819534.db2.gz LFJHXJJSHQADCF-JTQLQIEISA-N 1 0 266.772 2.096 10 0 CEAERO C[NH2+][C@H](C)Cc1noc([C@H]2C[C@@]23CCOc2ccccc23)n1 ZINC000261730805 153821564 /nfs/dbraw/zinc/82/15/64/153821564.db2.gz KDFVRAJXVGJCQK-CJBNDPTMSA-N 1 0 299.374 2.428 10 0 CEAERO COc1cccc([C@H](C)C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000261922555 153873170 /nfs/dbraw/zinc/87/31/70/153873170.db2.gz VFPYFTHZARKRLL-WFASDCNBSA-N 1 0 290.407 2.385 10 0 CEAERO C[C@@H]1CCN(C(=O)c2csc(C3CC3)n2)[C@@H](C[NH3+])C1 ZINC000261922810 153874541 /nfs/dbraw/zinc/87/45/41/153874541.db2.gz YZLLPRMIIYVOOR-MWLCHTKSSA-N 1 0 279.409 2.220 10 0 CEAERO C[C@H]1CN(Cc2c(F)cccc2Br)C[C@@H]1[NH3+] ZINC000261930257 153879699 /nfs/dbraw/zinc/87/96/99/153879699.db2.gz CSUPKDMPMPGDOS-UFBFGSQYSA-N 1 0 287.176 2.367 10 0 CEAERO O=C(NCC1C[NH2+]C1)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000262046343 153904983 /nfs/dbraw/zinc/90/49/83/153904983.db2.gz UMQLNZNPBZKVKH-CHWSQXEVSA-N 1 0 298.308 2.145 10 0 CEAERO C[NH2+]CCC(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000262569363 153962765 /nfs/dbraw/zinc/96/27/65/153962765.db2.gz SEKVFNJKOCAEGG-NSHDSACASA-N 1 0 278.249 2.155 10 0 CEAERO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000262639563 153969059 /nfs/dbraw/zinc/96/90/59/153969059.db2.gz QVKQGZJGMSXFDZ-MPTYRVRUSA-N 1 0 296.455 2.190 10 0 CEAERO C[NH2+]CCN(C)C(=O)[C@@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000263078581 154015682 /nfs/dbraw/zinc/01/56/82/154015682.db2.gz CVDNMOCNNZTRHM-CVEARBPZSA-N 1 0 290.407 2.141 10 0 CEAERO Cc1ccc2oc(-c3nc([C@@H]4C[NH2+]CCN4C)no3)cc2c1 ZINC000263166159 154028888 /nfs/dbraw/zinc/02/88/88/154028888.db2.gz FFEISZDZEACCOG-LBPRGKRZSA-N 1 0 298.346 2.367 10 0 CEAERO Cc1cccc([C@@H](C)c2nc([C@@H]3C[NH2+]CCN3C)no2)c1 ZINC000263223653 154038470 /nfs/dbraw/zinc/03/84/70/154038470.db2.gz MKRWEMJEDGURKA-OCCSQVGLSA-N 1 0 286.379 2.106 10 0 CEAERO CN1CC[NH2+]C[C@H]1c1noc(-c2cccc(F)c2Cl)n1 ZINC000263250139 154041210 /nfs/dbraw/zinc/04/12/10/154041210.db2.gz PTDSGLWNXJHENN-JTQLQIEISA-N 1 0 296.733 2.105 10 0 CEAERO COc1ccc2oc([C@H](C)NC(=O)C3C[NH2+]C3)c(C)c2c1 ZINC000263253248 154046433 /nfs/dbraw/zinc/04/64/33/154046433.db2.gz FFWNRZSAMXRAHL-JTQLQIEISA-N 1 0 288.347 2.146 10 0 CEAERO CN1CC[NH2+]C[C@H]1c1noc(-c2cc(F)cc(Cl)c2)n1 ZINC000263274230 154049696 /nfs/dbraw/zinc/04/96/96/154049696.db2.gz SPIOHLZUAUBLGV-NSHDSACASA-N 1 0 296.733 2.105 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+]C[C@H]2CCC[C@@H](C)C2)C1 ZINC000263524148 154117325 /nfs/dbraw/zinc/11/73/25/154117325.db2.gz SMPUFNBBDRXKHC-DNDYEEKYSA-N 1 0 282.428 2.340 10 0 CEAERO Cc1c[nH+]ccc1NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263566380 154129846 /nfs/dbraw/zinc/12/98/46/154129846.db2.gz WQOHCDIBYPATCR-UHFFFAOYSA-N 1 0 289.379 2.130 10 0 CEAERO CCO[C@H]1C[C@H]([NH2+]Cc2cc[nH]c2)C12CCOCC2 ZINC000185655179 286540768 /nfs/dbraw/zinc/54/07/68/286540768.db2.gz YQUKKGPNOBFLRK-KBPBESRZSA-N 1 0 264.369 2.079 10 0 CEAERO Cc1oncc1C[N@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000128839097 162297850 /nfs/dbraw/zinc/29/78/50/162297850.db2.gz OUXYYSULXMQXTH-CQSZACIVSA-N 1 0 260.341 2.153 10 0 CEAERO [NH3+]CC[C@H]1CCCN(c2ccncc2Br)C1 ZINC000159905402 162320353 /nfs/dbraw/zinc/32/03/53/162320353.db2.gz RHJCJMQADJHZOZ-SNVBAGLBSA-N 1 0 284.201 2.409 10 0 CEAERO C[C@@H](C(=O)N(Cc1ccccc1F)C1CC1)C1C[NH2+]C1 ZINC000164168982 162335023 /nfs/dbraw/zinc/33/50/23/162335023.db2.gz MIDZMSSQSCGSSU-LLVKDONJSA-N 1 0 276.355 2.172 10 0 CEAERO C[C@H]1CN(C(=O)NCCC[NH+]2CCCCC2)CCS1 ZINC000171416342 162384829 /nfs/dbraw/zinc/38/48/29/162384829.db2.gz YBFJEEHYLKJEPJ-ZDUSSCGKSA-N 1 0 285.457 2.009 10 0 CEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCS[C@@H](C)C1 ZINC000171425668 162384850 /nfs/dbraw/zinc/38/48/50/162384850.db2.gz RGWGYPIORRJTJB-STQMWFEESA-N 1 0 287.473 2.110 10 0 CEAERO C[C@H]1C[N@H+](CCCOCC(F)(F)F)CCS1 ZINC000171687743 162387911 /nfs/dbraw/zinc/38/79/11/162387911.db2.gz TXWJXISBVGPESY-VIFPVBQESA-N 1 0 257.321 2.393 10 0 CEAERO CC(C)[C@H](C)NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174110766 162430121 /nfs/dbraw/zinc/43/01/21/162430121.db2.gz IQDYZZWDTZMXKN-KBPBESRZSA-N 1 0 267.417 2.158 10 0 CEAERO C[C@@H]([NH3+])[C@@H]1CCCN(c2ccc(C(F)(F)F)nn2)C1 ZINC000167028530 165036678 /nfs/dbraw/zinc/03/66/78/165036678.db2.gz LASNYIFIPKGSMK-RKDXNWHRSA-N 1 0 274.290 2.059 10 0 CEAERO Fc1ccccc1OCC[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000171615740 165050108 /nfs/dbraw/zinc/05/01/08/165050108.db2.gz QDZIKXPZWHSILA-ZDUSSCGKSA-N 1 0 290.342 2.133 10 0 CEAERO CC(C)c1noc([C@H](C)N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000171639671 165050749 /nfs/dbraw/zinc/05/07/49/165050749.db2.gz KFHIQOIAWDFSJV-NWDGAFQWSA-N 1 0 264.373 2.034 10 0 CEAERO c1ccc2oc(CN3CC[N@@H+]4CCC[C@@H]4C3)nc2c1 ZINC000171639891 165051337 /nfs/dbraw/zinc/05/13/37/165051337.db2.gz VMYRHRHHIPUKKM-GFCCVEGCSA-N 1 0 257.337 2.108 10 0 CEAERO CCOc1c(F)cccc1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000173098975 165068411 /nfs/dbraw/zinc/06/84/11/165068411.db2.gz YTKYKSULWXNVPE-LBPRGKRZSA-N 1 0 292.354 2.145 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCC1CCC1 ZINC000176688317 165169235 /nfs/dbraw/zinc/16/92/35/165169235.db2.gz NDEZPOYMDZPICQ-GXTWGEPZSA-N 1 0 250.386 2.262 10 0 CEAERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1ccncc1 ZINC000178331299 165234602 /nfs/dbraw/zinc/23/46/02/165234602.db2.gz QZOYVLUDVVPCLW-OAHLLOKOSA-N 1 0 256.353 2.251 10 0 CEAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCOCC(F)(F)F ZINC000178330323 165235438 /nfs/dbraw/zinc/23/54/38/165235438.db2.gz UVHRQKPMIOSVGS-LBPRGKRZSA-N 1 0 291.317 2.235 10 0 CEAERO CCn1nc(C)c(NC(=O)N[C@H]2CCC[N@H+](CC)C2)c1C ZINC000179538985 165283831 /nfs/dbraw/zinc/28/38/31/165283831.db2.gz FPKRIDZVEREFBK-ZDUSSCGKSA-N 1 0 293.415 2.126 10 0 CEAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](CC)C(C)C)CC2 ZINC000180628266 165318608 /nfs/dbraw/zinc/31/86/08/165318608.db2.gz QOIBEIVXBSJADV-VXGBXAGGSA-N 1 0 250.390 2.180 10 0 CEAERO CCC[C@@H]1C[C@H](C(=O)N[C@@H]2CCC[N@H+](CC)C2)CCO1 ZINC000183357959 165395440 /nfs/dbraw/zinc/39/54/40/165395440.db2.gz CIQNQRDAODQZDP-RBSFLKMASA-N 1 0 282.428 2.182 10 0 CEAERO [NH3+]C[C@H](c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000008031109 170315173 /nfs/dbraw/zinc/31/51/73/170315173.db2.gz RFWAODRUGBXLAY-CQSZACIVSA-N 1 0 261.346 2.160 10 0 CEAERO [NH3+]CCNC(=O)CCCCCCC(=O)Nc1ccccc1 ZINC000013587780 170566120 /nfs/dbraw/zinc/56/61/20/170566120.db2.gz NSOQWMILNVAQEX-UHFFFAOYSA-N 1 0 291.395 2.041 10 0 CEAERO Cc1ccc(N2C[C@H](C[NH3+])CC2=O)cc1Br ZINC000019669551 170835122 /nfs/dbraw/zinc/83/51/22/170835122.db2.gz HHJWRHXAXUPAFP-VIFPVBQESA-N 1 0 283.169 2.069 10 0 CEAERO C[N@H+](CCc1ccccn1)C[C@H]1CNc2ccccc2O1 ZINC000020074361 170983773 /nfs/dbraw/zinc/98/37/73/170983773.db2.gz UNACXEKWLCQMFE-OAHLLOKOSA-N 1 0 283.375 2.429 10 0 CEAERO C[NH+](C)C[C@H](NCc1ccccn1)c1ccccc1 ZINC000020129437 171018063 /nfs/dbraw/zinc/01/80/63/171018063.db2.gz AYBOSLVSTJGTEK-INIZCTEOSA-N 1 0 255.365 2.474 10 0 CEAERO [NH3+]CCc1csc(NCCc2ccccc2F)n1 ZINC000020185298 171048163 /nfs/dbraw/zinc/04/81/63/171048163.db2.gz BTNLMYWMZWVRHA-UHFFFAOYSA-N 1 0 265.357 2.438 10 0 CEAERO Cc1ccc(C[NH3+])cc1S(=O)(=O)N1CCCCCC1 ZINC000020189492 171055577 /nfs/dbraw/zinc/05/55/77/171055577.db2.gz VROFUCRKXDXPJB-UHFFFAOYSA-N 1 0 282.409 2.018 10 0 CEAERO CCOc1ccc(C[C@H](C[NH3+])c2nnc(C)o2)cc1 ZINC000020222295 171084662 /nfs/dbraw/zinc/08/46/62/171084662.db2.gz MVIQMQWVIGPJCU-GFCCVEGCSA-N 1 0 261.325 2.062 10 0 CEAERO CCN(CC[NH3+])c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000020224785 171087185 /nfs/dbraw/zinc/08/71/85/171087185.db2.gz UUXPIZKFLIGNPO-UHFFFAOYSA-N 1 0 263.385 2.456 10 0 CEAERO CN(CC(C)(C)C)[C@@H](C[NH3+])c1ccc2c(c1)OCCO2 ZINC000020226390 171092205 /nfs/dbraw/zinc/09/22/05/171092205.db2.gz YQBCTMZCTPPOEW-ZDUSSCGKSA-N 1 0 278.396 2.436 10 0 CEAERO [NH3+]CCCOc1cccc(C(=O)NC2CCCC2)c1 ZINC000020229082 171093285 /nfs/dbraw/zinc/09/32/85/171093285.db2.gz IHADGDRIXXUXPQ-UHFFFAOYSA-N 1 0 262.353 2.087 10 0 CEAERO CCC[C@H](C)C(=O)N(CCC[NH3+])Cc1cccnc1 ZINC000020248740 171102014 /nfs/dbraw/zinc/10/20/14/171102014.db2.gz AAHLEWOVCJMEFQ-ZDUSSCGKSA-N 1 0 263.385 2.195 10 0 CEAERO Cc1c(C(=O)Nc2ccccc2[C@H](C)[NH3+])cnn1C ZINC000020251783 171104670 /nfs/dbraw/zinc/10/46/70/171104670.db2.gz UDGJKKXAFCNALQ-VIFPVBQESA-N 1 0 258.325 2.001 10 0 CEAERO c1ccc(CN2CC[C@@H]([NH2+]CCc3ccccn3)C2)cc1 ZINC000020303465 171140149 /nfs/dbraw/zinc/14/01/49/171140149.db2.gz PJBDCMUESFMDMC-GOSISDBHSA-N 1 0 281.403 2.488 10 0 CEAERO CNC(=O)[C@H](C)[NH2+]CCc1ccc(Cl)cc1Cl ZINC000020308951 171143706 /nfs/dbraw/zinc/14/37/06/171143706.db2.gz ZVDQAGNDAYVVRN-QMMMGPOBSA-N 1 0 275.179 2.260 10 0 CEAERO CCCCCNC(=O)[C@H](C)[NH2+]Cc1ccc(OC)cc1 ZINC000020364361 171162960 /nfs/dbraw/zinc/16/29/60/171162960.db2.gz KDLRVHXKAYIHNE-ZDUSSCGKSA-N 1 0 278.396 2.480 10 0 CEAERO CN(C)[C@H](C[NH3+])COc1ccccc1C(C)(C)C ZINC000020400050 171181405 /nfs/dbraw/zinc/18/14/05/171181405.db2.gz WURCJYJUKSOUPW-GFCCVEGCSA-N 1 0 250.386 2.252 10 0 CEAERO CC[C@@H]([NH3+])c1ccccc1O[C@@H](C)C(=O)NCCCOC ZINC000020419910 171185370 /nfs/dbraw/zinc/18/53/70/171185370.db2.gz CVGMPTQBDUIBRX-GXTWGEPZSA-N 1 0 294.395 2.016 10 0 CEAERO O=C(C[C@H]1CCCC[NH2+]1)Nc1cc(F)cc(F)c1 ZINC000020597415 171266269 /nfs/dbraw/zinc/26/62/69/171266269.db2.gz YIJUWMYGQHYDTK-LLVKDONJSA-N 1 0 254.280 2.436 10 0 CEAERO COc1ccc([C@H](C)N2CCC[NH2+]CC2)cc1OC ZINC000022049890 171350789 /nfs/dbraw/zinc/35/07/89/171350789.db2.gz ZWKSCGWONBFEEZ-LBPRGKRZSA-N 1 0 264.369 2.060 10 0 CEAERO COc1cc(N)ccc1NC(=O)[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000022151354 171358679 /nfs/dbraw/zinc/35/86/79/171358679.db2.gz PPCMGDUUWJUVFM-RYUDHWBXSA-N 1 0 291.395 2.479 10 0 CEAERO Nc1ccccc1NC(=O)CC[NH+]1CCCCCC1 ZINC000022152565 171359530 /nfs/dbraw/zinc/35/95/30/171359530.db2.gz MLAIQFSLLBRZER-UHFFFAOYSA-N 1 0 261.369 2.473 10 0 CEAERO Nc1ccc(F)c(NC(=O)CCC[NH+]2CCCC2)c1 ZINC000022153746 171360777 /nfs/dbraw/zinc/36/07/77/171360777.db2.gz UTGFWJLAHLJXKB-UHFFFAOYSA-N 1 0 265.332 2.222 10 0 CEAERO COc1ccc(N)cc1NC(=O)CC[NH+]1CCC(C)CC1 ZINC000022166731 171366331 /nfs/dbraw/zinc/36/63/31/171366331.db2.gz FONJLDJACMOWFE-UHFFFAOYSA-N 1 0 291.395 2.338 10 0 CEAERO COc1ccc(N)cc1NC(=O)[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000022167679 171366570 /nfs/dbraw/zinc/36/65/70/171366570.db2.gz UEMRMBXYRKYPDD-RYUDHWBXSA-N 1 0 291.395 2.479 10 0 CEAERO C[C@H](C(=O)Nc1c(Cl)cc(N)cc1Cl)[NH+](C)C ZINC000022168111 171366889 /nfs/dbraw/zinc/36/68/89/171366889.db2.gz FLLPOWRFJINUPQ-ZCFIWIBFSA-N 1 0 276.167 2.464 10 0 CEAERO C[C@@H]1CN([C@H](C[NH3+])c2ccc(F)c(F)c2)C[C@H](C)O1 ZINC000022168390 171366947 /nfs/dbraw/zinc/36/69/47/171366947.db2.gz CFVQXHGAFNUKCZ-ISTVAULSSA-N 1 0 270.323 2.074 10 0 CEAERO [NH3+]Cc1ccccc1NC(=O)Cn1cnc2ccccc21 ZINC000022175720 171370400 /nfs/dbraw/zinc/37/04/00/171370400.db2.gz HIMDPUCMJQEIPW-UHFFFAOYSA-N 1 0 280.331 2.134 10 0 CEAERO COc1ccc(NC(=O)CC[NH+]2CCCCC2)c(N)c1 ZINC000022177145 171371019 /nfs/dbraw/zinc/37/10/19/171371019.db2.gz UZHAKXMMDOGDTG-UHFFFAOYSA-N 1 0 277.368 2.092 10 0 CEAERO [NH3+]Cc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1 ZINC000022214424 171374903 /nfs/dbraw/zinc/37/49/03/171374903.db2.gz XKFBWVHAHMGVQV-UHFFFAOYSA-N 1 0 280.324 2.085 10 0 CEAERO COc1cccc([C@@H](C[NH3+])N(C)C(C)C)c1OC ZINC000022220023 171377111 /nfs/dbraw/zinc/37/71/11/171377111.db2.gz YYQBEHJHNQVACE-GFCCVEGCSA-N 1 0 252.358 2.044 10 0 CEAERO Cc1c(N)cccc1NC(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000022220608 171377690 /nfs/dbraw/zinc/37/76/90/171377690.db2.gz RUGIDMNYTUUAJJ-VXGBXAGGSA-N 1 0 275.396 2.494 10 0 CEAERO CCC[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000032110478 171702712 /nfs/dbraw/zinc/70/27/12/171702712.db2.gz ZRANSQUIMUZSDH-LLVKDONJSA-N 1 0 258.159 2.482 10 0 CEAERO CCNC(=O)[C@@H](C)Oc1cccc(C[NH2+]C(C)C)c1 ZINC000034816506 171869838 /nfs/dbraw/zinc/86/98/38/171869838.db2.gz RNFJDLJWDWSJDH-GFCCVEGCSA-N 1 0 264.369 2.088 10 0 CEAERO C[C@H]([NH2+][C@H]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)N(C)C ZINC000035019794 171938426 /nfs/dbraw/zinc/93/84/26/171938426.db2.gz HKUXFLMOKWLYDU-FQUUOJAGSA-N 1 0 252.402 2.412 10 0 CEAERO c1ccc2c(c1)OC[C@@H](C[NH2+]C1CCSCC1)O2 ZINC000035120848 171990526 /nfs/dbraw/zinc/99/05/26/171990526.db2.gz QSPSGFKAHULOFK-GFCCVEGCSA-N 1 0 265.378 2.312 10 0 CEAERO COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CCCc2ccccc21 ZINC000035221869 172064390 /nfs/dbraw/zinc/06/43/90/172064390.db2.gz VPJZXJUSWVXFTO-XJKSGUPXSA-N 1 0 290.407 2.195 10 0 CEAERO CSc1ccc(C[NH2+][C@]2(C)CCS(=O)(=O)C2)cc1 ZINC000035223138 172067286 /nfs/dbraw/zinc/06/72/86/172067286.db2.gz DBCBRHJHFSLMOQ-CYBMUJFWSA-N 1 0 285.434 2.075 10 0 CEAERO CC(C)c1ccc(C[NH2+][C@]2(C)CCS(=O)(=O)C2)cc1 ZINC000035223135 172067471 /nfs/dbraw/zinc/06/74/71/172067471.db2.gz MIRWTKHYILSULQ-OAHLLOKOSA-N 1 0 281.421 2.477 10 0 CEAERO CC[NH2+]Cc1cccc(OC)c1OC[C@H]1CCCO1 ZINC000035413712 172186897 /nfs/dbraw/zinc/18/68/97/172186897.db2.gz YDCKXFHBALDVTN-CYBMUJFWSA-N 1 0 265.353 2.363 10 0 CEAERO CC[NH2+]Cc1c(N2CCCC2)nc2sccn12 ZINC000035429558 172197132 /nfs/dbraw/zinc/19/71/32/172197132.db2.gz AYVBVEYKBGWUKB-UHFFFAOYSA-N 1 0 250.371 2.106 10 0 CEAERO CC[C@@H](C)N(C)c1nc2sccn2c1C[NH2+]C ZINC000035430202 172199624 /nfs/dbraw/zinc/19/96/24/172199624.db2.gz DZJKDJHXNNXKQC-SECBINFHSA-N 1 0 252.387 2.350 10 0 CEAERO CC[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC(C)C)c1 ZINC000035632807 172315815 /nfs/dbraw/zinc/31/58/15/172315815.db2.gz NCJDQQVLBZGHOE-NSHDSACASA-N 1 0 270.398 2.044 10 0 CEAERO CC[NH2+][C@H](C)c1ccccc1NC(=O)[C@@H]1CCCO1 ZINC000035643803 172321413 /nfs/dbraw/zinc/32/14/13/172321413.db2.gz CDDCYFRYTPSEHT-RISCZKNCSA-N 1 0 262.353 2.475 10 0 CEAERO CNC(=O)[C@H](C)Oc1c(Cl)cc(Cl)cc1C[NH2+]C ZINC000035661987 172340517 /nfs/dbraw/zinc/34/05/17/172340517.db2.gz UJHIYFZOXLQCKR-ZETCQYMHSA-N 1 0 291.178 2.226 10 0 CEAERO CCC1(CC)CC(=O)N([C@@H](C)[C@H]2CCCC[NH2+]2)C1=O ZINC000035691800 172360132 /nfs/dbraw/zinc/36/01/32/172360132.db2.gz VBQIBTLCTUMZDX-NWDGAFQWSA-N 1 0 266.385 2.082 10 0 CEAERO CCC[NH2+][C@@H]1c2cc(F)ccc2S(=O)(=O)C[C@H]1C ZINC000035761543 172399763 /nfs/dbraw/zinc/39/97/63/172399763.db2.gz RMGUOEITKDEHOK-RNCFNFMXSA-N 1 0 271.357 2.290 10 0 CEAERO C[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000036260100 172552841 /nfs/dbraw/zinc/55/28/41/172552841.db2.gz OYOHUSQCRBGIIG-XSSZXYGBSA-N 1 0 288.178 2.144 10 0 CEAERO C[C@H](C1CC1)N(C)C(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000036785756 172702670 /nfs/dbraw/zinc/70/26/70/172702670.db2.gz XJJXKOABBPNXPV-VZZFWQQMSA-N 1 0 250.386 2.164 10 0 CEAERO COc1ccc(N)cc1C[N@H+](C)[C@@H]1CCSC1 ZINC000037174124 173008767 /nfs/dbraw/zinc/00/87/67/173008767.db2.gz WFIVDZUOYLWDRK-GFCCVEGCSA-N 1 0 252.383 2.215 10 0 CEAERO CCCC[C@@H]([NH2+]CC(=O)NC)c1ccc(F)cc1 ZINC000037224702 173044518 /nfs/dbraw/zinc/04/45/18/173044518.db2.gz NLNFRWBMDFJGBW-CYBMUJFWSA-N 1 0 252.333 2.393 10 0 CEAERO [NH3+]C[C@@H](c1cc(F)ccc1F)N1CCSCC1 ZINC000037233562 173052712 /nfs/dbraw/zinc/05/27/12/173052712.db2.gz RMFAIGOYBDJDBN-LBPRGKRZSA-N 1 0 258.337 2.013 10 0 CEAERO C[NH2+]Cc1cc(F)ccc1N(C)[C@@H]1CCSC1 ZINC000037236802 173054603 /nfs/dbraw/zinc/05/46/03/173054603.db2.gz QXHOZUAIVCLWCX-GFCCVEGCSA-N 1 0 254.374 2.487 10 0 CEAERO Cn1cc(C[C@H]([NH3+])c2nc3ccccc3s2)cn1 ZINC000037239336 173056437 /nfs/dbraw/zinc/05/64/37/173056437.db2.gz YXEXYYTYCDBVCW-JTQLQIEISA-N 1 0 258.350 2.272 10 0 CEAERO Cc1nc2sccn2c1C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000037242347 173058490 /nfs/dbraw/zinc/05/84/90/173058490.db2.gz SMHVBCFZXHLEAV-ZYHUDNBSSA-N 1 0 265.382 2.361 10 0 CEAERO Cc1nc2sccn2c1C[NH2+]CCCn1ccnc1 ZINC000037249260 173061299 /nfs/dbraw/zinc/06/12/99/173061299.db2.gz XAQALDMSBSCVTK-UHFFFAOYSA-N 1 0 275.381 2.081 10 0 CEAERO C[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(C[NH3+])s2)C1 ZINC000037257127 173067405 /nfs/dbraw/zinc/06/74/05/173067405.db2.gz XRJSVDQZWNIIIV-UWVGGRQHSA-N 1 0 288.438 2.064 10 0 CEAERO CC(C)C[C@@H](C)NC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000037265156 173073801 /nfs/dbraw/zinc/07/38/01/173073801.db2.gz VLHHNGGDSVGCDP-ZOBORPQBSA-N 1 0 252.402 2.458 10 0 CEAERO COC1CCN(C[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000037266486 173076480 /nfs/dbraw/zinc/07/64/80/173076480.db2.gz RWDBMAWOASZXLZ-YDHLFZDLSA-N 1 0 252.402 2.018 10 0 CEAERO CC[C@H]([NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)C(C)C ZINC000037278072 173088555 /nfs/dbraw/zinc/08/85/55/173088555.db2.gz XMWSXZGSBJCABK-RISCZKNCSA-N 1 0 284.425 2.419 10 0 CEAERO Cc1nc2sccn2c1C[NH2+][C@H]1CCC[C@H](O)C1 ZINC000037321073 173122363 /nfs/dbraw/zinc/12/23/63/173122363.db2.gz DMUSPNCTUDJDIB-QWRGUYRKSA-N 1 0 265.382 2.097 10 0 CEAERO CN(Cc1cccc(F)c1)C(=O)C[NH2+]C1CCCC1 ZINC000037386789 173169924 /nfs/dbraw/zinc/16/99/24/173169924.db2.gz RXJNWBYDMXHGPK-UHFFFAOYSA-N 1 0 264.344 2.316 10 0 CEAERO COc1ccc(C)cc1NC(=O)C[NH2+]C1CCCC1 ZINC000037386810 173169964 /nfs/dbraw/zinc/16/99/64/173169964.db2.gz QHRBTWQMOQSXFG-UHFFFAOYSA-N 1 0 262.353 2.474 10 0 CEAERO O=C(C[NH2+]C1CCCC1)NC1C2CC3CC(C2)CC1C3 ZINC000037388752 173172112 /nfs/dbraw/zinc/17/21/12/173172112.db2.gz ROCVUFCXEBSGIW-UHFFFAOYSA-N 1 0 276.424 2.460 10 0 CEAERO CC(C)[NH2+]CC(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000037395292 173175512 /nfs/dbraw/zinc/17/55/12/173175512.db2.gz KOIKNGYCRCBKFS-UHFFFAOYSA-N 1 0 270.716 2.005 10 0 CEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000037396890 173176915 /nfs/dbraw/zinc/17/69/15/173176915.db2.gz IUVQVYMQESSFOH-UHFFFAOYSA-N 1 0 296.436 2.361 10 0 CEAERO CC1(C)Oc2ccc(NC(=O)[C@H]3CCC[NH2+]C3)cc2O1 ZINC000037413630 173190234 /nfs/dbraw/zinc/19/02/34/173190234.db2.gz JPTDPAPYVZHASG-JTQLQIEISA-N 1 0 276.336 2.132 10 0 CEAERO COCCN(CCOC)C1(C[NH3+])CCCCCCC1 ZINC000037489443 173231915 /nfs/dbraw/zinc/23/19/15/173231915.db2.gz WAABUPKUPKOIOC-UHFFFAOYSA-N 1 0 272.433 2.023 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)N(C)Cc1ccc(OC)c(F)c1 ZINC000037495113 173234971 /nfs/dbraw/zinc/23/49/71/173234971.db2.gz GMXWDDBHTZSHDL-NSHDSACASA-N 1 0 282.359 2.181 10 0 CEAERO CC(C)[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000037508601 173242598 /nfs/dbraw/zinc/24/25/98/173242598.db2.gz AJJFNBIOYIYDEF-GFCCVEGCSA-N 1 0 264.325 2.116 10 0 CEAERO CCN(C(=O)NC1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000037541740 173263659 /nfs/dbraw/zinc/26/36/59/173263659.db2.gz GUURGJXLXKFSLT-CYBMUJFWSA-N 1 0 253.390 2.103 10 0 CEAERO C[NH2+][C@@H](C)c1ccccc1OCCCC(=O)OC ZINC000037706796 173627544 /nfs/dbraw/zinc/62/75/44/173627544.db2.gz XCZMBHCXAVMVLY-NSHDSACASA-N 1 0 251.326 2.299 10 0 CEAERO CC[C@H]([NH3+])Cc1ccc(OCCCC(=O)OC)cc1 ZINC000037724160 173642874 /nfs/dbraw/zinc/64/28/74/173642874.db2.gz ODKDQAGGYAEMQY-ZDUSSCGKSA-N 1 0 265.353 2.298 10 0 CEAERO COC(=O)CC[NH2+]C[C@H](O)c1cc(Cl)ccc1Cl ZINC000037753248 173676630 /nfs/dbraw/zinc/67/66/30/173676630.db2.gz MKIVDKZFNQNTFA-NSHDSACASA-N 1 0 292.162 2.180 10 0 CEAERO CC(C)[NH2+]CCCC(=O)Nc1cccc2n[nH]cc21 ZINC000037769613 173701457 /nfs/dbraw/zinc/70/14/57/173701457.db2.gz IQQQNDIPHKNQEV-UHFFFAOYSA-N 1 0 260.341 2.280 10 0 CEAERO [NH3+]C1CCC(C(=O)N(Cc2ccco2)C2CC2)CC1 ZINC000037806142 173747629 /nfs/dbraw/zinc/74/76/29/173747629.db2.gz WCBJXMJUTVVJPI-UHFFFAOYSA-N 1 0 262.353 2.288 10 0 CEAERO CCCCCC[C@](C)(C(=O)OC)N1CCC[NH2+]CC1 ZINC000037959482 173903938 /nfs/dbraw/zinc/90/39/38/173903938.db2.gz VSFLIKQHBTURQJ-OAHLLOKOSA-N 1 0 270.417 2.184 10 0 CEAERO CC(C)CCC[NH2+]Cc1nc2ccccc2c(=O)[nH]1 ZINC000037999727 173962263 /nfs/dbraw/zinc/96/22/63/173962263.db2.gz WJROLECZVYKSLR-UHFFFAOYSA-N 1 0 259.353 2.449 10 0 CEAERO COC(=O)c1ccccc1CNC[C@@H](C)[NH+]1CCCCC1 ZINC000038028971 174018557 /nfs/dbraw/zinc/01/85/57/174018557.db2.gz NJAOOUAOJAYACU-CQSZACIVSA-N 1 0 290.407 2.437 10 0 CEAERO CCC[C@H](C)NC(=O)[C@H](C)N(CC[NH3+])Cc1ccccc1 ZINC000038033207 174030844 /nfs/dbraw/zinc/03/08/44/174030844.db2.gz DZFQMNJKTKUJFT-GJZGRUSLSA-N 1 0 291.439 2.141 10 0 CEAERO C[C@H](CN[C@@H](C)c1cc[nH]n1)C[NH+]1CCCCC1 ZINC000038041604 174043488 /nfs/dbraw/zinc/04/34/88/174043488.db2.gz NUCOFZMDKUDUMJ-OLZOCXBDSA-N 1 0 250.390 2.182 10 0 CEAERO CC(C)(C(=O)N[C@@H]1CCCC[C@@H]1[NH3+])c1ccccc1 ZINC000038049358 174060410 /nfs/dbraw/zinc/06/04/10/174060410.db2.gz YHZRMDQAGSLGIZ-UONOGXRCSA-N 1 0 260.381 2.350 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)Cc1c[nH]c2ccccc12 ZINC000038049537 174060413 /nfs/dbraw/zinc/06/04/13/174060413.db2.gz VLXTTXXPVUJVBS-HIFRSBDPSA-N 1 0 271.364 2.097 10 0 CEAERO CCCc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000038050565 174062066 /nfs/dbraw/zinc/06/20/66/174062066.db2.gz ABXANVCPOFNRCB-CABCVRRESA-N 1 0 296.436 2.187 10 0 CEAERO Cc1cc(C[NH3+])ccc1-n1cc(Br)cn1 ZINC000038053989 174065694 /nfs/dbraw/zinc/06/56/94/174065694.db2.gz FMZCOLKWIGMHPT-UHFFFAOYSA-N 1 0 266.142 2.402 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)CC2CC[NH2+]CC2)o1 ZINC000038075289 174085214 /nfs/dbraw/zinc/08/52/14/174085214.db2.gz FHTNUMAKCHVIHF-LLVKDONJSA-N 1 0 250.342 2.155 10 0 CEAERO C[C@H](Cc1ccco1)[NH2+][C@H](C)C(=O)N1CCCCC1 ZINC000038092874 174106832 /nfs/dbraw/zinc/10/68/32/174106832.db2.gz YAXXWDBAQNSJTL-CHWSQXEVSA-N 1 0 264.369 2.201 10 0 CEAERO CC(C)c1ccc([C@H](CO)N2CCC[NH2+]CC2)cc1 ZINC000038117452 174127444 /nfs/dbraw/zinc/12/74/44/174127444.db2.gz WBYKYIPRACIOON-INIZCTEOSA-N 1 0 262.397 2.139 10 0 CEAERO COC(=O)c1ccccc1CN1CC[NH2+][C@@H](CC(C)C)C1 ZINC000039952549 174177211 /nfs/dbraw/zinc/17/72/11/174177211.db2.gz OPNGWKTUQOLWCB-HNNXBMFYSA-N 1 0 290.407 2.293 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000040491292 174292377 /nfs/dbraw/zinc/29/23/77/174292377.db2.gz PNUACVAQDNITJB-RYUDHWBXSA-N 1 0 294.395 2.269 10 0 CEAERO CC(C)(C)C[NH2+]C[C@@H](O)COCc1ccccc1F ZINC000040493574 174293418 /nfs/dbraw/zinc/29/34/18/174293418.db2.gz YHXRWFYABPDOAC-CYBMUJFWSA-N 1 0 269.360 2.339 10 0 CEAERO COc1cccc(NC(=O)C[NH2+]CC(C)(C)C)c1 ZINC000040493774 174293426 /nfs/dbraw/zinc/29/34/26/174293426.db2.gz OBZFFERDAQUYJW-UHFFFAOYSA-N 1 0 250.342 2.269 10 0 CEAERO COC(=O)C[C@@H](C)[NH2+][C@@H](C)COc1ccc(C)cc1 ZINC000040499739 174296483 /nfs/dbraw/zinc/29/64/83/174296483.db2.gz XGKHRIXCUMBWAQ-OLZOCXBDSA-N 1 0 265.353 2.304 10 0 CEAERO Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CCS(=O)(=O)C2)c1 ZINC000040500418 174297100 /nfs/dbraw/zinc/29/71/00/174297100.db2.gz SFMVAZJAZXUPNF-DZGCQCFKSA-N 1 0 281.421 2.093 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(Cl)c(N)c2)C1 ZINC000040501621 174298297 /nfs/dbraw/zinc/29/82/97/174298297.db2.gz FRYAFLFGOGEMAM-NSHDSACASA-N 1 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289.162 2.309 10 0 CEAERO CCCN(Cc1ccc(C)cc1)C(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000040634714 174360762 /nfs/dbraw/zinc/36/07/62/174360762.db2.gz ZMKUBLHAHSKOAX-JKSUJKDBSA-N 1 0 290.407 2.111 10 0 CEAERO CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1C[C@H](OC)C[NH2+]1 ZINC000040635360 174361069 /nfs/dbraw/zinc/36/10/69/174361069.db2.gz DBRUFNDEXZAVFT-KBPBESRZSA-N 1 0 296.798 2.065 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](c2nc(-c3c(F)cccc3F)c[nH]2)C1 ZINC000040637834 174361931 /nfs/dbraw/zinc/36/19/31/174361931.db2.gz UEMUOESJPWUXPK-KWQFWETISA-N 1 0 279.290 2.404 10 0 CEAERO C[C@@H]1CCC[C@](C[NH2+][C@@H]2CN3CCC2CC3)(N(C)C)C1 ZINC000040668653 174367689 /nfs/dbraw/zinc/36/76/89/174367689.db2.gz FFAJFPSYCMKZQP-OIISXLGYSA-N 1 0 279.472 2.181 10 0 CEAERO COC(=O)CCC[NH2+]C[C@]1(N(C)C)CCC[C@H](C)C1 ZINC000040669230 174367935 /nfs/dbraw/zinc/36/79/35/174367935.db2.gz DZQKXNUTBWKNDQ-ZFWWWQNUSA-N 1 0 270.417 2.040 10 0 CEAERO C[C@@H]1CCC[C@](CNCC(=O)NC(C)(C)C)([NH+](C)C)C1 ZINC000040669668 174368112 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ZINC000040738586 174389866 /nfs/dbraw/zinc/38/98/66/174389866.db2.gz SFAVPZYOWOMESW-DZGCQCFKSA-N 1 0 262.397 2.364 10 0 CEAERO CCN(C(=O)CC(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747732 174392691 /nfs/dbraw/zinc/39/26/91/174392691.db2.gz DXOAZSFRXRVZOW-ULKQDVFKSA-N 1 0 264.291 2.070 10 0 CEAERO CCN(Cc1nc(C(C)(C)C)no1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748358 174393414 /nfs/dbraw/zinc/39/34/14/174393414.db2.gz LQSKXXCUJKNZDL-FUNVUKJBSA-N 1 0 292.427 2.472 10 0 CEAERO CCN(C(=O)CN1[C@@H]2CC[C@H]1CC([NH3+])C2)C1=CCCCC1 ZINC000040750069 174395124 /nfs/dbraw/zinc/39/51/24/174395124.db2.gz JQJSCYIEPYIICE-VHRNVKJDSA-N 1 0 291.439 2.247 10 0 CEAERO Cc1c(N)cccc1C(=O)NCC[NH+]1CCCCCC1 ZINC000040766876 174398416 /nfs/dbraw/zinc/39/84/16/174398416.db2.gz UQPLBZXDMFSHQT-UHFFFAOYSA-N 1 0 275.396 2.183 10 0 CEAERO CCOCCOc1cc(OC)ccc1C[C@@H](C)[NH3+] ZINC000040905226 174430455 /nfs/dbraw/zinc/43/04/55/174430455.db2.gz ABDVOYGVCUFMIQ-LLVKDONJSA-N 1 0 253.342 2.000 10 0 CEAERO CC[N@H+](C[C@H](O)COCc1ccccc1)[C@H]1CCCOC1 ZINC000402702832 414758411 /nfs/dbraw/zinc/75/84/11/414758411.db2.gz PIYNDSOMMJIYJZ-IRXDYDNUSA-N 1 0 293.407 2.065 10 0 CEAERO C[C@H]([NH3+])CCC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000226509054 289768252 /nfs/dbraw/zinc/76/82/52/289768252.db2.gz MHSCLVROXCEQKJ-IVZWLZJFSA-N 1 0 266.307 2.351 10 0 CEAERO O=C(Nc1ccc(Cl)c2ncccc12)[C@H]1CC[NH2+]C1 ZINC000062114112 414759798 /nfs/dbraw/zinc/75/97/98/414759798.db2.gz KPVAZEPURWESDQ-VIFPVBQESA-N 1 0 275.739 2.436 10 0 CEAERO C[C@H](NC(=O)CCCC[NH3+])c1ccc(F)c(F)c1 ZINC000070201854 414768389 /nfs/dbraw/zinc/76/83/89/414768389.db2.gz GOGTZLNIQLYSPB-VIFPVBQESA-N 1 0 256.296 2.271 10 0 CEAERO COc1ccccc1[C@@H](C)NC(=O)CCCC[NH3+] ZINC000070203370 414769782 /nfs/dbraw/zinc/76/97/82/414769782.db2.gz GAJMGOJTFQLDIM-LLVKDONJSA-N 1 0 250.342 2.001 10 0 CEAERO CN(Cc1ccccc1)C[C@H](O)C[NH+]1CCCCCC1 ZINC000121060425 414785686 /nfs/dbraw/zinc/78/56/86/414785686.db2.gz VMFSIVHZBISXEX-KRWDZBQOSA-N 1 0 276.424 2.355 10 0 CEAERO [NH3+]CCc1noc(Cc2ccc3ccccc3c2)n1 ZINC000041201735 174509859 /nfs/dbraw/zinc/50/98/59/174509859.db2.gz CLGVUTAROKZFDL-UHFFFAOYSA-N 1 0 253.305 2.315 10 0 CEAERO C[C@H](NC(=O)C(C)(C)C[NH3+])c1cc(F)ccc1F ZINC000122980745 414792661 /nfs/dbraw/zinc/79/26/61/414792661.db2.gz IQXGZGUXPARVCW-QMMMGPOBSA-N 1 0 256.296 2.127 10 0 CEAERO Cc1cnc([C@H](C)NC(=O)C[C@H]([NH3+])C(C)C)s1 ZINC000124536426 414796018 /nfs/dbraw/zinc/79/60/18/414796018.db2.gz ZZSXEQUXYCXUNJ-UWVGGRQHSA-N 1 0 255.387 2.002 10 0 CEAERO C[C@H](C(=O)NCC[C@@H]1CCCO1)[C@@H]([NH3+])c1ccccc1 ZINC000130271757 414814624 /nfs/dbraw/zinc/81/46/24/414814624.db2.gz XRYWMEZXIKJNMO-AEGPPILISA-N 1 0 276.380 2.008 10 0 CEAERO Cc1ccc(CCC(=O)N(C)[C@H](C[NH3+])C(F)(F)F)cc1 ZINC000662980042 414816534 /nfs/dbraw/zinc/81/65/34/414816534.db2.gz YKYOSANPPNULRX-GFCCVEGCSA-N 1 0 288.313 2.276 10 0 CEAERO CC1(C)CC[C@@H]([NH2+]C[C@H](O)COCc2ccco2)C1 ZINC000132423719 414820483 /nfs/dbraw/zinc/82/04/83/414820483.db2.gz FMZFOVIIMVCULK-OLZOCXBDSA-N 1 0 267.369 2.325 10 0 CEAERO C[C@H]([NH3+])c1cccc(NC(=O)N2CCCC[C@@H]2CCO)c1 ZINC000041711665 174613138 /nfs/dbraw/zinc/61/31/38/174613138.db2.gz ZUPXSYOCKNRYDZ-SWLSCSKDSA-N 1 0 291.395 2.475 10 0 CEAERO C[NH2+][C@H](C)c1cccc(NC(=O)NC2CCOCC2)c1 ZINC000041716697 174615171 /nfs/dbraw/zinc/61/51/71/174615171.db2.gz VWGKGYZGVSLYDK-LLVKDONJSA-N 1 0 277.368 2.268 10 0 CEAERO Cc1cc2c(n1C[C@H]1COCCO1)CC(C)(C)C[C@H]2[NH3+] ZINC000041731930 174619973 /nfs/dbraw/zinc/61/99/73/174619973.db2.gz INBQVKGMODRLDN-GXTWGEPZSA-N 1 0 278.396 2.184 10 0 CEAERO Cc1oc(C)c(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1C ZINC000311907792 414862394 /nfs/dbraw/zinc/86/23/94/414862394.db2.gz DQLCAOCJTYIVNL-XQQFMLRXSA-N 1 0 262.353 2.014 10 0 CEAERO Cc1oc(C)c(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1C ZINC000311907791 414863627 /nfs/dbraw/zinc/86/36/27/414863627.db2.gz DQLCAOCJTYIVNL-RWMBFGLXSA-N 1 0 262.353 2.014 10 0 CEAERO COc1ccc(C)cc1CN(C)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000042171536 174651706 /nfs/dbraw/zinc/65/17/06/174651706.db2.gz OJCZTIOZTBWVMB-AWEZNQCLSA-N 1 0 276.380 2.104 10 0 CEAERO CCCCNC(=O)C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000042299178 174677256 /nfs/dbraw/zinc/67/72/56/174677256.db2.gz QTBOCIDJZUBKOJ-UHFFFAOYSA-N 1 0 264.413 2.461 10 0 CEAERO OCCN1CCC[C@@H]([NH2+]C2CCC(C3CCC3)CC2)C1 ZINC000657350086 414877565 /nfs/dbraw/zinc/87/75/65/414877565.db2.gz ABYNRILOEPASLT-OFLPRAFFSA-N 1 0 280.456 2.392 10 0 CEAERO Cn1cc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])c2ccccc21 ZINC000653052345 414886937 /nfs/dbraw/zinc/88/69/37/414886937.db2.gz BPMBKYDPNUTOQH-BXUZGUMPSA-N 1 0 271.364 2.036 10 0 CEAERO Cc1ccsc1CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653065109 414894237 /nfs/dbraw/zinc/89/42/37/414894237.db2.gz UMPFHKJJUBPBLM-RKDXNWHRSA-N 1 0 292.326 2.071 10 0 CEAERO Cc1cc(NCC23CC(C2)C[NH2+]3)ncc1Br ZINC000663274025 414899700 /nfs/dbraw/zinc/89/97/00/414899700.db2.gz KRMKCMFGGXHDFU-UHFFFAOYSA-N 1 0 282.185 2.316 10 0 CEAERO CCc1cc2c(ncnc2N[C@H](C)C[NH2+]C)s1 ZINC000663277966 414902906 /nfs/dbraw/zinc/90/29/06/414902906.db2.gz ANHIAPUTVRIPBA-MRVPVSSYSA-N 1 0 250.371 2.274 10 0 CEAERO CC[NH+]1CCC(N(C)c2ccc(F)cc2CO)CC1 ZINC000042680519 174835121 /nfs/dbraw/zinc/83/51/21/174835121.db2.gz TXGMGSJGGINWTF-UHFFFAOYSA-N 1 0 266.360 2.239 10 0 CEAERO C[C@@H]1CCCC[C@@H]1CNC(=O)C[C@@H]1CCCC[NH2+]1 ZINC000042869211 174896246 /nfs/dbraw/zinc/89/62/46/174896246.db2.gz JQVZPCOBZRWPRE-MCIONIFRSA-N 1 0 252.402 2.461 10 0 CEAERO CC(C)OCCOc1cc2c(cc1C[C@@H](C)[NH3+])OCO2 ZINC000042878479 174900985 /nfs/dbraw/zinc/90/09/85/174900985.db2.gz HIWORYCPINJJTA-LLVKDONJSA-N 1 0 281.352 2.109 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccc(Cl)cc1)N1CCO[C@H](C)C1 ZINC000042944308 174919743 /nfs/dbraw/zinc/91/97/43/174919743.db2.gz HEXWRFUXJWDNET-JTNHKYCSSA-N 1 0 268.788 2.449 10 0 CEAERO Cc1cccc([C@H]([C@H](C)[NH3+])N2CCOC(C)(C)C2)c1 ZINC000042966605 174929963 /nfs/dbraw/zinc/92/99/63/174929963.db2.gz MOXXPRANFYYUOQ-ZFWWWQNUSA-N 1 0 262.397 2.494 10 0 CEAERO Cc1ccccc1[C@@H](Sc1nc(N)cc(N)n1)[C@@H](C)[NH3+] ZINC000043041950 174953736 /nfs/dbraw/zinc/95/37/36/174953736.db2.gz INNLQCUKMWLQAY-RNCFNFMXSA-N 1 0 289.408 2.130 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1cnn(C)c1)N(C)Cc1ccc(C)o1 ZINC000043127204 174978576 /nfs/dbraw/zinc/97/85/76/174978576.db2.gz QQSDLVVMQLWENO-GJZGRUSLSA-N 1 0 276.384 2.232 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1cnn(C)c1)N(Cc1ccco1)C1CC1 ZINC000043232245 174985368 /nfs/dbraw/zinc/98/53/68/174985368.db2.gz NXZYZQJGWKNSKZ-HZPDHXFCSA-N 1 0 288.395 2.456 10 0 CEAERO CCc1c(C)nn([C@H](c2cnn(C)c2)[C@@H]([NH3+])CC)c1C ZINC000043232901 174986326 /nfs/dbraw/zinc/98/63/26/174986326.db2.gz BZTYLJHNCPHKQP-LSDHHAIUSA-N 1 0 275.400 2.123 10 0 CEAERO [NH3+]Cc1ccccc1Cn1ccc(C(F)(F)F)n1 ZINC000043298323 174999437 /nfs/dbraw/zinc/99/94/37/174999437.db2.gz JMLKQVADZBEULU-UHFFFAOYSA-N 1 0 255.243 2.409 10 0 CEAERO [NH3+][C@@H](c1ccc2ccccc2c1)[C@H]1CCS(=O)(=O)C1 ZINC000043299875 175000541 /nfs/dbraw/zinc/00/05/41/175000541.db2.gz KTBGJSFRLUGQEU-GJZGRUSLSA-N 1 0 275.373 2.274 10 0 CEAERO [NH3+][C@H](c1cc(Cl)cc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043300100 175000824 /nfs/dbraw/zinc/00/08/24/175000824.db2.gz NYOMCMGAZKVQRF-CPCISQLKSA-N 1 0 294.203 2.428 10 0 CEAERO CC[NH2+][C@H](c1ccc(CC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043300952 175001702 /nfs/dbraw/zinc/00/17/02/175001702.db2.gz ZCDYQZDCYKUOOQ-LSDHHAIUSA-N 1 0 281.421 2.334 10 0 CEAERO CCC[NH2+][C@@H](c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043301389 175001904 /nfs/dbraw/zinc/00/19/04/175001904.db2.gz CJEGHGHZXHAPIQ-GJZGRUSLSA-N 1 0 281.421 2.470 10 0 CEAERO CCC[NH2+][C@H](c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000043301249 175002126 /nfs/dbraw/zinc/00/21/26/175002126.db2.gz REJYIUZJSWPQDX-RISCZKNCSA-N 1 0 285.384 2.301 10 0 CEAERO COc1ccc(Cl)c(NC(=O)[C@@H]([NH3+])CCSC)c1 ZINC000043318608 175005747 /nfs/dbraw/zinc/00/57/47/175005747.db2.gz HOVFNUDJRZWSQD-JTQLQIEISA-N 1 0 288.800 2.368 10 0 CEAERO CCC[NH2+]C1CCN(C(=O)c2cc(OC)ccc2O)CC1 ZINC000043327675 175009470 /nfs/dbraw/zinc/00/94/70/175009470.db2.gz SBZUQWQOMCIBSN-UHFFFAOYSA-N 1 0 292.379 2.005 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1ccccn1)N(C)CCc1ccccn1 ZINC000043338982 175012991 /nfs/dbraw/zinc/01/29/91/175012991.db2.gz NMCODEWHHACRLT-CJNGLKHVSA-N 1 0 270.380 2.039 10 0 CEAERO CCOC1CCN([C@H](c2ccccn2)[C@H]([NH3+])CC)CC1 ZINC000043339693 175013605 /nfs/dbraw/zinc/01/36/05/175013605.db2.gz FOLUUDUGQFUADP-ZBFHGGJFSA-N 1 0 277.412 2.361 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccccn1)N(CCO)C1CCCCC1 ZINC000043340855 175014675 /nfs/dbraw/zinc/01/46/75/175014675.db2.gz QBCOUFXXIUMOAL-NVXWUHKLSA-N 1 0 291.439 2.487 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccccn1)N(CCO)C1CCCCC1 ZINC000043340847 175014845 /nfs/dbraw/zinc/01/48/45/175014845.db2.gz KGILPGZHJAXIMN-CZUORRHYSA-N 1 0 277.412 2.097 10 0 CEAERO CCc1c(C)nn([C@@H](c2ccccn2)[C@H](C)[NH3+])c1C ZINC000043341525 175015076 /nfs/dbraw/zinc/01/50/76/175015076.db2.gz AKGTWTNTVGAEAT-ZUZCIYMTSA-N 1 0 258.369 2.394 10 0 CEAERO CC[C@H]([NH3+])[C@@H](OC[C@@H]1CCCO1)c1ccccn1 ZINC000043342722 175015983 /nfs/dbraw/zinc/01/59/83/175015983.db2.gz GIHFYBWOXTUKGY-SGMGOOAPSA-N 1 0 250.342 2.056 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1nccn1C)c1ccccn1 ZINC000043344182 175016448 /nfs/dbraw/zinc/01/64/48/175016448.db2.gz FFYRFDIJASERJE-JQWIXIFHSA-N 1 0 262.382 2.386 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1cccnc1)N(C)Cc1cc(C)on1 ZINC000043346917 175017373 /nfs/dbraw/zinc/01/73/73/175017373.db2.gz GJSXLAIQCFOAKA-HUUCEWRRSA-N 1 0 274.368 2.288 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1cccnc1)N(C)CC(F)(F)F ZINC000043347074 175017519 /nfs/dbraw/zinc/01/75/19/175017519.db2.gz DLYYZDYAGWPIJR-QWRGUYRKSA-N 1 0 261.291 2.354 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1cccnc1)N(CC(F)(F)F)C1CC1 ZINC000043348623 175018723 /nfs/dbraw/zinc/01/87/23/175018723.db2.gz TUQXNILWEQYCJY-SKDRFNHKSA-N 1 0 273.302 2.497 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1n[nH]c(C)n1)c1cccnc1 ZINC000043352837 175020123 /nfs/dbraw/zinc/02/01/23/175020123.db2.gz AYPWNQSMJRHJNV-GHMZBOCLSA-N 1 0 263.370 2.079 10 0 CEAERO CC[C@H]([NH3+])[C@@H](SCCC(=O)OC)c1cccnc1 ZINC000043352602 175020475 /nfs/dbraw/zinc/02/04/75/175020475.db2.gz XANQUEDFFSMBNQ-AAEUAGOBSA-N 1 0 268.382 2.156 10 0 CEAERO COc1ccc(CN(C)[C@H](C[NH3+])c2ccncc2)cc1 ZINC000043354028 175021566 /nfs/dbraw/zinc/02/15/66/175021566.db2.gz PALWQBMGPJOSIF-MRXNPFEDSA-N 1 0 271.364 2.222 10 0 CEAERO COc1cccc(CN(C)[C@H](C[NH3+])c2ccncc2)c1 ZINC000043354034 175021656 /nfs/dbraw/zinc/02/16/56/175021656.db2.gz CMYIGXMWMBNSBW-MRXNPFEDSA-N 1 0 271.364 2.222 10 0 CEAERO CCCO[C@@H]1CCCN([C@@H](c2ccncc2)[C@@H](C)[NH3+])C1 ZINC000043354481 175022527 /nfs/dbraw/zinc/02/25/27/175022527.db2.gz RIEFKBVIUAOQKK-FVQBIDKESA-N 1 0 277.412 2.361 10 0 CEAERO COC(=O)CCS[C@@H](c1ccc(C)o1)[C@@H](C)[NH3+] ZINC000043367601 175027526 /nfs/dbraw/zinc/02/75/26/175027526.db2.gz LTCHAMFDDLIKQN-BXKDBHETSA-N 1 0 257.355 2.273 10 0 CEAERO Cc1ccc([C@@H](Sc2nccc(=O)[nH]2)[C@H](C)[NH3+])o1 ZINC000043367482 175027830 /nfs/dbraw/zinc/02/78/30/175027830.db2.gz QXHVBYRIUMMTKN-KWQFWETISA-N 1 0 265.338 2.264 10 0 CEAERO CC[C@H]([NH3+])[C@@H](N(CCOC)CC(C)C)C(F)(F)F ZINC000043378665 175030798 /nfs/dbraw/zinc/03/07/98/175030798.db2.gz HZQPGRWFXXLUBI-WDEREUQCSA-N 1 0 270.339 2.259 10 0 CEAERO Cc1nnc(S[C@@H]([C@@H](C)[NH3+])C(F)(F)F)s1 ZINC000043386304 175031960 /nfs/dbraw/zinc/03/19/60/175031960.db2.gz IOEIEAYRAJWUTK-WUJLRWPWSA-N 1 0 257.306 2.217 10 0 CEAERO CCCc1cc(=O)[nH]c(S[C@@H]([C@@H](C)[NH3+])C(F)(F)F)n1 ZINC000043385728 175032050 /nfs/dbraw/zinc/03/20/50/175032050.db2.gz CSWBMHJDIYRZPD-MUWHJKNJSA-N 1 0 295.330 2.093 10 0 CEAERO CCC[C@@H](C)N(C)c1nc2c(cc1C(N)=[NH2+])CCC2 ZINC000043406584 175037025 /nfs/dbraw/zinc/03/70/25/175037025.db2.gz NGRQDZBCWXKBNZ-SNVBAGLBSA-N 1 0 260.385 2.479 10 0 CEAERO O=C(N[C@@H](c1cccs1)C1CCCC1)[C@H]1C[NH2+]CCO1 ZINC000043708359 175100696 /nfs/dbraw/zinc/10/06/96/175100696.db2.gz TUBHKJGEAFZTNQ-TZMCWYRMSA-N 1 0 294.420 2.084 10 0 CEAERO CCN(C(=O)[C@H]1C[NH2+]CCO1)c1cccc2ccccc21 ZINC000043707624 175101142 /nfs/dbraw/zinc/10/11/42/175101142.db2.gz KHEJFMZEAYEZKY-MRXNPFEDSA-N 1 0 284.359 2.181 10 0 CEAERO C[NH2+][C@@H](CN1CCC(C)CC1)c1ccc2c(c1)OCCO2 ZINC000043806409 175108576 /nfs/dbraw/zinc/10/85/76/175108576.db2.gz NAQCUBSHEOIXHE-HNNXBMFYSA-N 1 0 290.407 2.450 10 0 CEAERO CCN(C[C@H]([NH2+]C)c1ccc2c(c1)OCO2)C(C)C ZINC000043824088 175114861 /nfs/dbraw/zinc/11/48/61/175114861.db2.gz RRUMAMDKBPDBBQ-ZDUSSCGKSA-N 1 0 264.369 2.406 10 0 CEAERO C[NH2+][C@H](c1ccccc1)[C@@H](C)N1CCC(OC)CC1 ZINC000043889891 175117479 /nfs/dbraw/zinc/11/74/79/175117479.db2.gz QYJARMRRTUQJJD-CJNGLKHVSA-N 1 0 262.397 2.446 10 0 CEAERO CC[C@@H]1CC[C@H]([NH2+]C)[C@H](N2CCC(OC)CC2)C1 ZINC000043889935 175117808 /nfs/dbraw/zinc/11/78/08/175117808.db2.gz LVQGZNMKOKZLHO-VHDGCEQUSA-N 1 0 254.418 2.264 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2CC[C@H]1N1CCOC[C@@H]1C ZINC000043891636 175118665 /nfs/dbraw/zinc/11/86/65/175118665.db2.gz LFYQZLOPIOXALV-IAOVAPTHSA-N 1 0 274.408 2.373 10 0 CEAERO CC[NH2+][C@H]1CCOC[C@H]1N(C)C1CCCCCC1 ZINC000043899754 175121765 /nfs/dbraw/zinc/12/17/65/175121765.db2.gz QGOLJXRYJBQEPJ-LSDHHAIUSA-N 1 0 254.418 2.408 10 0 CEAERO C[NH2+][C@@H](CN(C)CC(F)(F)F)c1ccc(OC)cc1 ZINC000043900580 175121903 /nfs/dbraw/zinc/12/19/03/175121903.db2.gz CPNGVQBECVZWEQ-LBPRGKRZSA-N 1 0 276.302 2.450 10 0 CEAERO C[NH2+][C@@H](CN1CCC[C@@H]1C)c1ccc(OC)cc1OC ZINC000043902390 175122527 /nfs/dbraw/zinc/12/25/27/175122527.db2.gz KIZSOCQBBHGKGU-WFASDCNBSA-N 1 0 278.396 2.449 10 0 CEAERO C[NH2+][C@@H](CN1CC[C@@H](C)C1)c1ccc(OC)cc1OC ZINC000043907992 175123539 /nfs/dbraw/zinc/12/35/39/175123539.db2.gz SJGOJJKSPYWEQG-DOMZBBRYSA-N 1 0 278.396 2.306 10 0 CEAERO CC[NH2+][C@@H](CN(CCOC)CCOC)c1ccccc1C ZINC000043912796 175124203 /nfs/dbraw/zinc/12/42/03/175124203.db2.gz ZWFGIYIAMVZKAR-KRWDZBQOSA-N 1 0 294.439 2.240 10 0 CEAERO C[NH2+][C@H]1c2ccccc2CC[C@H]1N(C)Cc1cnn(C)c1 ZINC000043967206 175128455 /nfs/dbraw/zinc/12/84/55/175128455.db2.gz UCQSVCASSNUUGT-SJORKVTESA-N 1 0 284.407 2.127 10 0 CEAERO CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N(C)Cc1cnn(C)c1 ZINC000043967293 175128517 /nfs/dbraw/zinc/12/85/17/175128517.db2.gz LBBQHMLIZHPZAY-BMFZPTHFSA-N 1 0 278.444 2.409 10 0 CEAERO C[NH2+][C@H](CN(C)[C@@H](C)COC)c1cc(C)ccc1OC ZINC000043969109 175130449 /nfs/dbraw/zinc/13/04/49/175130449.db2.gz WZKJCPTUYLFJIS-DZGCQCFKSA-N 1 0 280.412 2.231 10 0 CEAERO C[NH2+][C@H](CN(CCCOC)CCOC)c1ccc(C)cc1 ZINC000043970835 175131944 /nfs/dbraw/zinc/13/19/44/175131944.db2.gz AWWBMJJWFQVGIX-QGZVFWFLSA-N 1 0 294.439 2.240 10 0 CEAERO CC[NH2+][C@H]1CCCCC[C@H]1N(CCCOC)CCOC ZINC000043970979 175132249 /nfs/dbraw/zinc/13/22/49/175132249.db2.gz QTMAYHYNPZESGE-JKSUJKDBSA-N 1 0 286.460 2.282 10 0 CEAERO C[C@H](N[C@@H](C[NH+](C)C)c1ccccc1)c1cnn(C)c1 ZINC000044495149 175182791 /nfs/dbraw/zinc/18/27/91/175182791.db2.gz ZHPDAYUEZWVCGB-BBRMVZONSA-N 1 0 272.396 2.374 10 0 CEAERO COC(=O)CCCOc1ccc2c(c1)CCC[C@@H]2[NH3+] ZINC000044732492 175241282 /nfs/dbraw/zinc/24/12/82/175241282.db2.gz SUYRGYCRUNAYGH-AWEZNQCLSA-N 1 0 263.337 2.355 10 0 CEAERO CC(C)N(C)C(=O)COc1ccc2c(c1)CCC[C@@H]2[NH3+] ZINC000044744987 175241586 /nfs/dbraw/zinc/24/15/86/175241586.db2.gz OQSUFHHUYXMUEF-HNNXBMFYSA-N 1 0 276.380 2.268 10 0 CEAERO [NH3+][C@@H]1CCCc2cc(O[C@@H]3CCCCNC3=O)ccc21 ZINC000044744981 175241619 /nfs/dbraw/zinc/24/16/19/175241619.db2.gz NOKQNDQBEWLDJG-HUUCEWRRSA-N 1 0 274.364 2.070 10 0 CEAERO C[NH2+][C@H]1CCCc2cc(OCc3ncon3)ccc21 ZINC000044745120 175241644 /nfs/dbraw/zinc/24/16/44/175241644.db2.gz PEVVJXQQFPFBRS-ZDUSSCGKSA-N 1 0 259.309 2.245 10 0 CEAERO CC[NH2+][C@H]1CCCc2cc(O[C@H](C)C(=O)NC)ccc21 ZINC000044745594 175241928 /nfs/dbraw/zinc/24/19/28/175241928.db2.gz FLYFCJCNIYUXQT-ABAIWWIYSA-N 1 0 276.380 2.187 10 0 CEAERO CC(C)C(=O)NCC[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000044746850 175242522 /nfs/dbraw/zinc/24/25/22/175242522.db2.gz LKAKAKZRDQLLAJ-OAHLLOKOSA-N 1 0 276.380 2.131 10 0 CEAERO CCN(C(=O)C1(C[NH3+])CCOCC1)c1ccccc1C ZINC000044761850 175245962 /nfs/dbraw/zinc/24/59/62/175245962.db2.gz PHOUSKWTSQUJLZ-UHFFFAOYSA-N 1 0 276.380 2.103 10 0 CEAERO [NH3+]CC1(C(=O)NCCc2ccccc2F)CCCCC1 ZINC000044762192 175246498 /nfs/dbraw/zinc/24/64/98/175246498.db2.gz SCXLLGAGGRSXRL-UHFFFAOYSA-N 1 0 278.371 2.394 10 0 CEAERO CCN(Cc1ccncc1)C(=O)C1(C[NH3+])CCCCC1 ZINC000044763455 175247418 /nfs/dbraw/zinc/24/74/18/175247418.db2.gz GFWABQGPNUZHSS-UHFFFAOYSA-N 1 0 275.396 2.339 10 0 CEAERO CC(C)(C)CC(C)(C)NC(=O)C1(C[NH3+])CCOCC1 ZINC000044764362 175248439 /nfs/dbraw/zinc/24/84/39/175248439.db2.gz IGPOQWOLNPKGLA-UHFFFAOYSA-N 1 0 270.417 2.073 10 0 CEAERO CCC(CC)(C(N)=S)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000044780120 175252983 /nfs/dbraw/zinc/25/29/83/175252983.db2.gz VUTXFGQDKFSZLQ-LBPRGKRZSA-N 1 0 299.484 2.070 10 0 CEAERO CC[C@H](C[NH3+])C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000044797229 175254499 /nfs/dbraw/zinc/25/44/99/175254499.db2.gz UYBMXDIDBPLFJX-OEXLFXSVSA-N 1 0 250.386 2.056 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)N1CCO[C@H](CC)C1 ZINC000044801711 175255656 /nfs/dbraw/zinc/25/56/56/175255656.db2.gz VXDMTYCDJZLLAZ-CYBMUJFWSA-N 1 0 270.417 2.169 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)N(C)Cc1ccc(F)cc1 ZINC000044804067 175256217 /nfs/dbraw/zinc/25/62/17/175256217.db2.gz CXADDEGKCYTRCQ-LBPRGKRZSA-N 1 0 252.333 2.159 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)N[C@@H](C)c1ccccc1F ZINC000044806319 175256418 /nfs/dbraw/zinc/25/64/18/175256418.db2.gz MNNGCXSZVODHND-QWRGUYRKSA-N 1 0 252.333 2.378 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N[C@@H](C)CCc1ccco1 ZINC000044806651 175256577 /nfs/dbraw/zinc/25/65/77/175256577.db2.gz CRNQZQOUIPVAKI-NWDGAFQWSA-N 1 0 252.358 2.092 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N[C@H](C)CCc1ccco1 ZINC000044806655 175256728 /nfs/dbraw/zinc/25/67/28/175256728.db2.gz CRNQZQOUIPVAKI-VXGBXAGGSA-N 1 0 252.358 2.092 10 0 CEAERO C[C@H](Cn1c(N)cc2ccccc2c1=O)[NH+]1CCCCC1 ZINC000045006817 175288634 /nfs/dbraw/zinc/28/86/34/175288634.db2.gz GUNZFQJGUUWNFO-CYBMUJFWSA-N 1 0 285.391 2.458 10 0 CEAERO CCCC[C@@H]([NH2+]CCCS(N)(=O)=O)c1ccccc1 ZINC000045069665 175300924 /nfs/dbraw/zinc/30/09/24/175300924.db2.gz QPUGEIYFPLIWCD-CQSZACIVSA-N 1 0 284.425 2.186 10 0 CEAERO C[N@H+](CC(=O)Nc1cccc(C(N)=S)c1)CC(C)(C)C ZINC000045073782 175302627 /nfs/dbraw/zinc/30/26/27/175302627.db2.gz MIRDFJVRFRUADX-UHFFFAOYSA-N 1 0 293.436 2.237 10 0 CEAERO CCCNC(=O)CCNC1=[NH+][C@@H](CC(C)C)CS1 ZINC000045086611 175304498 /nfs/dbraw/zinc/30/44/98/175304498.db2.gz BTANZLNWQFHMMM-NSHDSACASA-N 1 0 271.430 2.010 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CC1(C)C)c1ccc2c(c1)NC(=O)CO2 ZINC000045116627 175311332 /nfs/dbraw/zinc/31/13/32/175311332.db2.gz UMKCSKOETFZFHV-NOZJJQNGSA-N 1 0 260.337 2.467 10 0 CEAERO Cc1nn(C)c(C)c1[C@H](C)[NH2+][C@@H]1CCCc2c1cnn2C ZINC000045170828 175320497 /nfs/dbraw/zinc/32/04/97/175320497.db2.gz HGUVGTUFWFTIEE-IINYFYTJSA-N 1 0 287.411 2.499 10 0 CEAERO CCCN[C@@](C)(C[N@@H+]1CCC[C@@H]1CC)C(=O)OCC ZINC000045221183 175330065 /nfs/dbraw/zinc/33/00/65/175330065.db2.gz MIDQYYVHDSRXPX-ZFWWWQNUSA-N 1 0 270.417 2.182 10 0 CEAERO CC(C)[NH2+][C@@](C)(CCN1c2ccccc2C[C@@H]1C)C(N)=O ZINC000045222719 175330497 /nfs/dbraw/zinc/33/04/97/175330497.db2.gz WQEWFPLYKMGDEH-GUYCJALGSA-N 1 0 289.423 2.070 10 0 CEAERO CCCC[N@H+](C)C[C@@](C)(NC(C)C)C(=O)OCC ZINC000045222093 175330521 /nfs/dbraw/zinc/33/05/21/175330521.db2.gz OXNOQCLOCKTOPS-CQSZACIVSA-N 1 0 258.406 2.038 10 0 CEAERO CCOC(=O)[C@@](C[N@@H+]1CCC[C@@H]1C)(NC)c1ccccc1 ZINC000045221475 175330822 /nfs/dbraw/zinc/33/08/22/175330822.db2.gz ZMYLZWVLMNGBBC-YOEHRIQHSA-N 1 0 290.407 2.149 10 0 CEAERO CCN[C@@](C)(C[N@H+](CC)C1CCCCC1)C(=O)OC ZINC000045224046 175332003 /nfs/dbraw/zinc/33/20/03/175332003.db2.gz QCYXBJWYAGIMMA-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO COC(=O)[C@@](C)(CC[NH+]1CCC(C)CC1)NC(C)C ZINC000045225578 175332504 /nfs/dbraw/zinc/33/25/04/175332504.db2.gz BSMYBLOHIGNBRR-OAHLLOKOSA-N 1 0 270.417 2.038 10 0 CEAERO CCCN[C@@](C[NH+](CC)CC)(C(=O)OC)c1ccccc1 ZINC000045226505 175333548 /nfs/dbraw/zinc/33/35/48/175333548.db2.gz PFJQSFOBISJNTC-QGZVFWFLSA-N 1 0 292.423 2.396 10 0 CEAERO CCOC(=O)[C@@](C[NH+]1CCCCC1)(NC)c1ccccc1 ZINC000045229804 175334162 /nfs/dbraw/zinc/33/41/62/175334162.db2.gz QDFHSYAQMIYMAF-KRWDZBQOSA-N 1 0 290.407 2.150 10 0 CEAERO C[N@H+](CC[C@](C)([NH2+]C1CC1)C(=O)[O-])C1CCCCC1 ZINC000045231240 175334636 /nfs/dbraw/zinc/33/46/36/175334636.db2.gz SHICIAIPJPNFBO-HNNXBMFYSA-N 1 0 268.401 2.236 10 0 CEAERO CCC[NH+](CCC)C[C@@](C)(NC(C)C)C(=O)OC ZINC000045230353 175334850 /nfs/dbraw/zinc/33/48/50/175334850.db2.gz MPNAHTZMHBEFHO-CQSZACIVSA-N 1 0 258.406 2.038 10 0 CEAERO CCC[NH+](CCC)C[C@@](C)(NC(C)C)C(=O)OCC ZINC000045230361 175335174 /nfs/dbraw/zinc/33/51/74/175335174.db2.gz KNBZMFVWXVKRJX-OAHLLOKOSA-N 1 0 272.433 2.428 10 0 CEAERO CCCC[NH+](CCCC)C[C@](C)(NCC)C(=O)OC ZINC000045232703 175336060 /nfs/dbraw/zinc/33/60/60/175336060.db2.gz MLGCWMFZGFVRKQ-HNNXBMFYSA-N 1 0 272.433 2.430 10 0 CEAERO CCOC(=O)[C@@](C[NH+](C)C)(NC(C)C)c1ccccc1 ZINC000045232267 175336130 /nfs/dbraw/zinc/33/61/30/175336130.db2.gz MOXXKRCUNLJFAX-INIZCTEOSA-N 1 0 278.396 2.005 10 0 CEAERO CCOC(=O)[C@](C)(CC[N@H+](C)[C@@H](C)CC)NC(C)C ZINC000045263993 175337441 /nfs/dbraw/zinc/33/74/41/175337441.db2.gz IUVOFANPSSSRFZ-ZFWWWQNUSA-N 1 0 272.433 2.427 10 0 CEAERO CCN[C@@](C[N@H+](C)[C@@H](C)CC)(C(=O)OC)c1ccccc1 ZINC000045263788 175337686 /nfs/dbraw/zinc/33/76/86/175337686.db2.gz IFTBKRCAMILSDY-WMLDXEAASA-N 1 0 292.423 2.395 10 0 CEAERO CCCN[C@@](C)(CC[N@H+](C)CCC)C(=O)OCC ZINC000045264513 175338339 /nfs/dbraw/zinc/33/83/39/175338339.db2.gz UHMPUYIZLNGXFX-AWEZNQCLSA-N 1 0 258.406 2.040 10 0 CEAERO CC[N@H+](C)C[C@@](NC(C)C)(C(=O)OC)c1ccccc1 ZINC000045264631 175338532 /nfs/dbraw/zinc/33/85/32/175338532.db2.gz OGEREQIBLBNOIL-INIZCTEOSA-N 1 0 278.396 2.005 10 0 CEAERO CCC[N@H+](C[C@](NC)(C(=O)OC)c1ccccc1)C(C)C ZINC000045266696 175338879 /nfs/dbraw/zinc/33/88/79/175338879.db2.gz ZZJAQBPUFINFSA-QGZVFWFLSA-N 1 0 292.423 2.395 10 0 CEAERO CCC[NH2+][C@](C)(CC[N@H+](C)C(CC)CC)C(=O)[O-] ZINC000045269691 175341717 /nfs/dbraw/zinc/34/17/17/175341717.db2.gz YCNDGVBWGMXDLX-CQSZACIVSA-N 1 0 258.406 2.340 10 0 CEAERO CC[NH2+][C@@](C)(CC[NH+](CC(C)C)CC(C)C)C(=O)[O-] ZINC000045273814 175343787 /nfs/dbraw/zinc/34/37/87/175343787.db2.gz BYLFJCUAQFOIGH-HNNXBMFYSA-N 1 0 272.433 2.443 10 0 CEAERO CCOC(=O)[C@@](C[N@H+](C)CC1CC1)(NC)c1ccccc1 ZINC000045272913 175343908 /nfs/dbraw/zinc/34/39/08/175343908.db2.gz ODVNFUKPTMQUFA-KRWDZBQOSA-N 1 0 290.407 2.006 10 0 CEAERO CCOC(=O)[C@](C)(N)CC[NH+](CC(C)C)CC(C)C ZINC000045273829 175344603 /nfs/dbraw/zinc/34/46/03/175344603.db2.gz QMODKMYWORBWCP-OAHLLOKOSA-N 1 0 272.433 2.271 10 0 CEAERO CCOC(=O)[C@@](C)(N)CC[N@H+](C)[C@@H](C)C(C)(C)C ZINC000045274794 175345264 /nfs/dbraw/zinc/34/52/64/175345264.db2.gz ZHUCKMKUKPXKOP-FZMZJTMJSA-N 1 0 258.406 2.023 10 0 CEAERO CCC[N@H+](CC1CC1)C[C@](C)(NCC)C(=O)OCC ZINC000045276817 175346696 /nfs/dbraw/zinc/34/66/96/175346696.db2.gz ONQMLUPUEBPRIR-HNNXBMFYSA-N 1 0 270.417 2.040 10 0 CEAERO CCCN[C@](C)(C[N@H+](C)[C@@H]1CCCC[C@@H]1C)C(=O)OC ZINC000045279022 175349117 /nfs/dbraw/zinc/34/91/17/175349117.db2.gz COJROOUVDYROSM-SQWLQELKSA-N 1 0 284.444 2.428 10 0 CEAERO CCCN[C@](C)(C[N@H+](C)C1CCC(C)CC1)C(=O)OC ZINC000045280544 175349924 /nfs/dbraw/zinc/34/99/24/175349924.db2.gz XOWHNDDDVQNTTF-ZBCRRDGASA-N 1 0 284.444 2.428 10 0 CEAERO CCOC(=O)[C@@](N)(C[N@H+](C)CCC(C)C)c1ccccc1 ZINC000045281179 175351706 /nfs/dbraw/zinc/35/17/06/175351706.db2.gz ZROHRANUWBFSOR-QGZVFWFLSA-N 1 0 292.423 2.382 10 0 CEAERO CCCC[N@H+](C)CCC[C@@](C)(NCC)C(=O)OCC ZINC000045368372 175362887 /nfs/dbraw/zinc/36/28/87/175362887.db2.gz GCVNYKZUEOLUTI-OAHLLOKOSA-N 1 0 272.433 2.430 10 0 CEAERO CCCN[C@](C)(CCC[N@@H+]1CCC[C@@H]1C)C(=O)OC ZINC000045367938 175363039 /nfs/dbraw/zinc/36/30/39/175363039.db2.gz NPLVBHHOHWIUQY-DZGCQCFKSA-N 1 0 270.417 2.182 10 0 CEAERO CCCC[N@H+](C)CCCC[C@](C)(NC)C(=O)OCC ZINC000045368217 175363131 /nfs/dbraw/zinc/36/31/31/175363131.db2.gz ZJOQAVHDVVJRPZ-HNNXBMFYSA-N 1 0 272.433 2.430 10 0 CEAERO CCCC[N@H+](C)CCCC[C@@](C)(NCC)C(=O)OC ZINC000045368232 175363317 /nfs/dbraw/zinc/36/33/17/175363317.db2.gz SBZAHTKTEMOLRD-OAHLLOKOSA-N 1 0 272.433 2.430 10 0 CEAERO CCCC[N@H+](CC)CCC[C@](C)(NC)C(=O)OC ZINC000045370655 175364314 /nfs/dbraw/zinc/36/43/14/175364314.db2.gz OUNAAAOGTIWHFZ-AWEZNQCLSA-N 1 0 258.406 2.040 10 0 CEAERO COC(=O)[C@](C)([NH3+])CCCCN1CCc2ccccc21 ZINC000045372707 175364965 /nfs/dbraw/zinc/36/49/65/175364965.db2.gz IXBMFVNZLSVFEG-MRXNPFEDSA-N 1 0 276.380 2.110 10 0 CEAERO CC1CC[NH+](CCC[C@](C)([NH2+]C2CC2)C(=O)[O-])CC1 ZINC000045374904 175365660 /nfs/dbraw/zinc/36/56/60/175365660.db2.gz OTNGKPGEWILAJJ-HNNXBMFYSA-N 1 0 268.401 2.094 10 0 CEAERO COC(=O)[C@](C)(CCC[NH+]1CCC(C)CC1)NC(C)C ZINC000045375007 175365997 /nfs/dbraw/zinc/36/59/97/175365997.db2.gz KMHZGELPXMVXCY-INIZCTEOSA-N 1 0 284.444 2.428 10 0 CEAERO CC[NH2+][C@@](C)(CCC[N@@H+]1CCCC[C@@H]1C)C(=O)[O-] ZINC000045376109 175366240 /nfs/dbraw/zinc/36/62/40/175366240.db2.gz BOKFOJAITGNEEJ-JSGCOSHPSA-N 1 0 256.390 2.094 10 0 CEAERO CCCN[C@](C)(CCC[NH+](CC)CC)C(=O)OC ZINC000045375931 175366483 /nfs/dbraw/zinc/36/64/83/175366483.db2.gz IUPSXFWUTSZNMQ-CQSZACIVSA-N 1 0 258.406 2.040 10 0 CEAERO CCC[NH2+][C@@](C)(CCCC[NH+]1CCCCC1)C(=O)[O-] ZINC000045378215 175367749 /nfs/dbraw/zinc/36/77/49/175367749.db2.gz AQMPDELRNSNYHI-HNNXBMFYSA-N 1 0 270.417 2.486 10 0 CEAERO CN[C@](C)(CCC[N@H+](C)C1CCCCC1)C(=O)OC ZINC000045379132 175368541 /nfs/dbraw/zinc/36/85/41/175368541.db2.gz JFGBMHAKHQNDHF-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CCN[C@@](C)(CCC[N@H+](CC)CC(C)C)C(=O)OC ZINC000045381820 175369940 /nfs/dbraw/zinc/36/99/40/175369940.db2.gz MMRRVBLDLIKNTK-HNNXBMFYSA-N 1 0 272.433 2.286 10 0 CEAERO CC[NH2+][C@](C)(CCC[N@H+](CC)CC(C)C)C(=O)[O-] ZINC000045381761 175370504 /nfs/dbraw/zinc/37/05/04/175370504.db2.gz VZSDFEVGOFPLLQ-CQSZACIVSA-N 1 0 258.406 2.197 10 0 CEAERO CC(C)[NH2+][C@](C)(CCCC[N@H+](C)C1CC1)C(=O)[O-] ZINC000045383129 175370929 /nfs/dbraw/zinc/37/09/29/175370929.db2.gz GSIJXWRAKYFANE-CQSZACIVSA-N 1 0 256.390 2.092 10 0 CEAERO CC[NH2+][C@@](C)(CCC[N@H+](C)C1CCCC1)C(=O)[O-] ZINC000045384772 175371759 /nfs/dbraw/zinc/37/17/59/175371759.db2.gz VGVGLRICXAWMCH-AWEZNQCLSA-N 1 0 256.390 2.094 10 0 CEAERO CCC[NH2+][C@@](C)(CCC[N@H+](C)C1CCCC1)C(=O)[O-] ZINC000045384780 175372330 /nfs/dbraw/zinc/37/23/30/175372330.db2.gz CAOZEFHFJPNBBU-HNNXBMFYSA-N 1 0 270.417 2.484 10 0 CEAERO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1cc(F)ccc1F ZINC000658245595 415280135 /nfs/dbraw/zinc/28/01/35/415280135.db2.gz SRTJXBLMGVQBJQ-ZJUUUORDSA-N 1 0 268.307 2.094 10 0 CEAERO C[C@]1(c2ccc(Br)s2)OC[C@@H](C[NH3+])O1 ZINC000049873182 175503018 /nfs/dbraw/zinc/50/30/18/175503018.db2.gz MIDALHKKVSXDCE-MUWHJKNJSA-N 1 0 278.171 2.057 10 0 CEAERO C[NH2+]C[C@@H]1CC[C@@H](COc2ccc(C)cc2OC)O1 ZINC000052647080 175536563 /nfs/dbraw/zinc/53/65/63/175536563.db2.gz VAERJXKUAOREAS-STQMWFEESA-N 1 0 265.353 2.149 10 0 CEAERO Brc1cccnc1NC[C@H]1CCC[NH2+]1 ZINC000053254963 175546144 /nfs/dbraw/zinc/54/61/44/175546144.db2.gz PQDJBCJSUHNQTG-MRVPVSSYSA-N 1 0 256.147 2.008 10 0 CEAERO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C1CC(CO)C1 ZINC000658352447 415333394 /nfs/dbraw/zinc/33/33/94/415333394.db2.gz VVUILGIIUKDNOJ-XGNXJENSSA-N 1 0 277.364 2.097 10 0 CEAERO CC(C)CO[C@@H]1C[C@@H]([NH2+]C2CC(CO)C2)C1(C)C ZINC000658357429 415335560 /nfs/dbraw/zinc/33/55/60/415335560.db2.gz UUTFFRMIHKTLQH-NWINJMCUSA-N 1 0 255.402 2.187 10 0 CEAERO COC[C@@]1(C(=O)Nc2ccccc2SC)CCC[NH2+]1 ZINC000659275235 415483426 /nfs/dbraw/zinc/48/34/26/415483426.db2.gz KRZPJQKPRISSJL-CQSZACIVSA-N 1 0 280.393 2.116 10 0 CEAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@@H](CO)c1ccccc1 ZINC000063002809 175680913 /nfs/dbraw/zinc/68/09/13/175680913.db2.gz LYGRPANULJKMIJ-OCCSQVGLSA-N 1 0 278.396 2.003 10 0 CEAERO C[C@@H]1CCCC[C@H]1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000183007189 287308105 /nfs/dbraw/zinc/30/81/05/287308105.db2.gz NSIKXOVSACLYKP-PMPSAXMXSA-N 1 0 266.429 2.219 10 0 CEAERO CC1(C)CCN(C(=O)[C@H]2CC[NH2+]C2)CC(C)(C)C1 ZINC000659357411 415536190 /nfs/dbraw/zinc/53/61/90/415536190.db2.gz GRGKZRBLDBJHDI-LBPRGKRZSA-N 1 0 252.402 2.271 10 0 CEAERO CO[C@H](CNC(=O)[C@@H]1CCC[C@H]1C[NH3+])C1CCCCC1 ZINC000659382431 415551942 /nfs/dbraw/zinc/55/19/42/415551942.db2.gz JVUQMGNDYGMHGP-RRFJBIMHSA-N 1 0 282.428 2.073 10 0 CEAERO C[NH2+][C@H](C)C(=O)Nc1ccc(F)c(Br)c1F ZINC000659381802 415553119 /nfs/dbraw/zinc/55/31/19/415553119.db2.gz JWHJNKSEBLNYLL-RXMQYKEDSA-N 1 0 293.111 2.274 10 0 CEAERO CO[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000659381735 415553251 /nfs/dbraw/zinc/55/32/51/415553251.db2.gz FRVGONHOPSMEAA-ZFWWWQNUSA-N 1 0 282.428 2.088 10 0 CEAERO Nc1cc[nH+]cc1C[C@@H](O)c1ccc(F)cc1F ZINC000070400303 175910431 /nfs/dbraw/zinc/91/04/31/175910431.db2.gz PGLCIGJVNDFCHR-CYBMUJFWSA-N 1 0 250.248 2.218 10 0 CEAERO C[NH2+][C@@H](Cc1cnccc1N)c1cccc(OC)c1 ZINC000070400619 175910539 /nfs/dbraw/zinc/91/05/39/175910539.db2.gz HMKVQEAUTWAQCB-HNNXBMFYSA-N 1 0 257.337 2.176 10 0 CEAERO Cc1nc(-c2ccccc2F)nc(N2CC[C@@H]([NH3+])C2)c1C ZINC000070455838 175940546 /nfs/dbraw/zinc/94/05/46/175940546.db2.gz RMXRKHQGBBJWNW-GFCCVEGCSA-N 1 0 286.354 2.437 10 0 CEAERO CC[NH2+]C[C@@H]1CC[C@@H](Cn2cc(C(F)(F)F)cn2)O1 ZINC000070467860 175947606 /nfs/dbraw/zinc/94/76/06/175947606.db2.gz JIUWRLJEGNQZEU-QWRGUYRKSA-N 1 0 277.290 2.059 10 0 CEAERO C[C@H](C[C@@](C)([NH3+])CO)Oc1cccc2c1OC(C)(C)C2 ZINC000070518404 175965872 /nfs/dbraw/zinc/96/58/72/175965872.db2.gz RDLPDEQBCFLVLC-BDJLRTHQSA-N 1 0 279.380 2.267 10 0 CEAERO COc1ccccc1OC[C@](CO)([NH2+]C(C)C)C1CC1 ZINC000070518899 175966019 /nfs/dbraw/zinc/96/60/19/175966019.db2.gz VSBMZYKNNGZSPH-INIZCTEOSA-N 1 0 279.380 2.213 10 0 CEAERO COc1ccccc1N(C)C(=O)c1ccc(CC[NH3+])cc1 ZINC000070552880 175981838 /nfs/dbraw/zinc/98/18/38/175981838.db2.gz AISHAYSFAQVOOD-UHFFFAOYSA-N 1 0 284.359 2.473 10 0 CEAERO Cc1cccnc1-c1noc([C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000070557623 175985653 /nfs/dbraw/zinc/98/56/53/175985653.db2.gz GJAXQYMUOXANBH-GHMZBOCLSA-N 1 0 258.325 2.425 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H](C(=O)OCCc2cccs2)C1 ZINC000070573373 175988832 /nfs/dbraw/zinc/98/88/32/175988832.db2.gz JKAMTUZHAPPNTF-GHMZBOCLSA-N 1 0 253.367 2.351 10 0 CEAERO CCc1nc(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)sc1C ZINC000070577809 175993478 /nfs/dbraw/zinc/99/34/78/175993478.db2.gz MXCQUKGGZPMRMV-NXEZZACHSA-N 1 0 267.398 2.470 10 0 CEAERO [NH3+]Cc1ccn(Cc2ccc(Br)cc2F)n1 ZINC000070708198 176002284 /nfs/dbraw/zinc/00/22/84/176002284.db2.gz CIOZJYBIWXJJKM-UHFFFAOYSA-N 1 0 284.132 2.292 10 0 CEAERO CCCN(c1ncccc1Br)[C@H]1CC[NH2+]C1 ZINC000070903752 176011152 /nfs/dbraw/zinc/01/11/52/176011152.db2.gz QBZYJEXXVKKINW-JTQLQIEISA-N 1 0 284.201 2.422 10 0 CEAERO CCOC(=O)CN(C[C@@H](C[NH3+])c1ccccc1)C(C)C ZINC000070941111 176014591 /nfs/dbraw/zinc/01/45/91/176014591.db2.gz JBTCZQCWHPAUPR-OAHLLOKOSA-N 1 0 278.396 2.002 10 0 CEAERO CCn1c(C[NH3+])nnc1SCc1ccsc1 ZINC000070944938 176016364 /nfs/dbraw/zinc/01/63/64/176016364.db2.gz RRUIUUPMQWKSOM-UHFFFAOYSA-N 1 0 254.384 2.111 10 0 CEAERO [NH3+][C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000070987217 176018427 /nfs/dbraw/zinc/01/84/27/176018427.db2.gz GYHKJSJDZFKJOU-TZMCWYRMSA-N 1 0 266.291 2.118 10 0 CEAERO CCc1ccc([C@@H]2[C@H]([NH3+])CCC(=O)N2C2CC2)s1 ZINC000070987201 176018572 /nfs/dbraw/zinc/01/85/72/176018572.db2.gz JNHBMTKHOWVMHI-RISCZKNCSA-N 1 0 264.394 2.464 10 0 CEAERO OCC[C@H]1CCC[N@H+](C[C@@H]2OCCc3ccccc32)C1 ZINC000071030922 176022181 /nfs/dbraw/zinc/02/21/81/176022181.db2.gz FVGNNBMEGLPSQV-PBHICJAKSA-N 1 0 275.392 2.395 10 0 CEAERO C[C@@H](c1ccccc1F)N1CC[C@H]([NH2+]C2CC2)C1=O ZINC000071031900 176023135 /nfs/dbraw/zinc/02/31/35/176023135.db2.gz GLHPFHOVINUQGF-HZMBPMFUSA-N 1 0 262.328 2.240 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCCN1Cc1ccc(F)cc1 ZINC000071033392 176023474 /nfs/dbraw/zinc/02/34/74/176023474.db2.gz HOAGXXOAFFTPBB-CQSZACIVSA-N 1 0 262.328 2.069 10 0 CEAERO Cc1ccc([C@H](C)N2CCC[C@H]([NH2+]C3CC3)C2=O)o1 ZINC000071033757 176024380 /nfs/dbraw/zinc/02/43/80/176024380.db2.gz CDOHXRJJLJTOQT-AAEUAGOBSA-N 1 0 262.353 2.392 10 0 CEAERO Cc1nc(C)c([C@@H](C)N2CC[C@@H]([NH2+]C3CC3)C2=O)s1 ZINC000071036207 176025179 /nfs/dbraw/zinc/02/51/79/176025179.db2.gz AMPXISVETHWMSC-BXKDBHETSA-N 1 0 279.409 2.174 10 0 CEAERO CC[NH2+][C@@H]1CCCN([C@@H](C)c2sc(C)nc2C)C1=O ZINC000071036223 176025268 /nfs/dbraw/zinc/02/52/68/176025268.db2.gz DJVSWFGSOYADFR-CMPLNLGQSA-N 1 0 281.425 2.421 10 0 CEAERO CC1(N2CCC[C@H]([NH2+]C3CC3)C2=O)CCCCC1 ZINC000071036300 176025582 /nfs/dbraw/zinc/02/55/82/176025582.db2.gz CACOTQDMEKEOLQ-ZDUSSCGKSA-N 1 0 250.386 2.452 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN(c2nc(C3CC3)cs2)C1=O ZINC000071036476 176026080 /nfs/dbraw/zinc/02/60/80/176026080.db2.gz ONJFJDVXEADDSR-SNVBAGLBSA-N 1 0 265.382 2.124 10 0 CEAERO C[NH2+][C@H]1CCCN(Cc2ccccc2Br)C1=O ZINC000071037519 176026311 /nfs/dbraw/zinc/02/63/11/176026311.db2.gz OGYBPKUWCVJTOD-LBPRGKRZSA-N 1 0 297.196 2.160 10 0 CEAERO CC(C)[NH2+][C@H]1CCN(c2ccc(F)c(F)c2F)C1=O ZINC000071037806 176026614 /nfs/dbraw/zinc/02/66/14/176026614.db2.gz HBTGHBXITCKMCM-VIFPVBQESA-N 1 0 272.270 2.207 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCCN1C1CCCCCC1 ZINC000071039662 176027167 /nfs/dbraw/zinc/02/71/67/176027167.db2.gz MNQAXJFOCXUPDZ-AWEZNQCLSA-N 1 0 250.386 2.452 10 0 CEAERO CC(C)Oc1ccc(N2CC[C@@H]([NH2+]C3CC3)C2=O)cc1 ZINC000071039096 176027358 /nfs/dbraw/zinc/02/73/58/176027358.db2.gz DBYKYUWKTXRRHG-OAHLLOKOSA-N 1 0 274.364 2.331 10 0 CEAERO CC[NH2+][C@@H]1CCCN(c2cc(F)cc(F)c2F)C1=O ZINC000071042860 176029083 /nfs/dbraw/zinc/02/90/83/176029083.db2.gz AWCRXECCVXMXDZ-SNVBAGLBSA-N 1 0 272.270 2.209 10 0 CEAERO CC[C@H](CC1CC1)N1CCC[C@@H]([NH2+]C2CC2)C1=O ZINC000071043916 176029983 /nfs/dbraw/zinc/02/99/83/176029983.db2.gz UEFZHXQLZBNNGI-ZIAGYGMSSA-N 1 0 250.386 2.308 10 0 CEAERO CCCN(CC[NH2+]C)C[C@@H]1OCCc2ccccc21 ZINC000071091549 176031886 /nfs/dbraw/zinc/03/18/86/176031886.db2.gz YOWSOTKPJCDOES-INIZCTEOSA-N 1 0 262.397 2.232 10 0 CEAERO COc1ccc(Cn2nc(C)c(C[C@@H](C)[NH3+])c2C)cc1 ZINC000071139268 176037650 /nfs/dbraw/zinc/03/76/50/176037650.db2.gz UBQSVOKPSWYYGW-LLVKDONJSA-N 1 0 273.380 2.447 10 0 CEAERO CC(C)CC[C@H]([NH3+])c1ccc2c(c1)C(=O)N(C)C(=O)C2 ZINC000071139401 176037852 /nfs/dbraw/zinc/03/78/52/176037852.db2.gz CCWZZIFMQDDLBQ-AWEZNQCLSA-N 1 0 274.364 2.277 10 0 CEAERO CCN(c1cncc(OC(C)C)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000071176023 176054588 /nfs/dbraw/zinc/05/45/88/176054588.db2.gz QSHRHOFGSUKMFV-PBWFPOADSA-N 1 0 290.411 2.373 10 0 CEAERO CC[NH+](CC)CCC[C@@H](C)Nc1cnc(C(N)=S)cn1 ZINC000071180670 176056296 /nfs/dbraw/zinc/05/62/96/176056296.db2.gz KVTYJILUAAQOQP-LLVKDONJSA-N 1 0 295.456 2.033 10 0 CEAERO CN1CC[C@H](Oc2ccc(C[NH2+]C3CC3)cc2Cl)C1=O ZINC000071183068 176058304 /nfs/dbraw/zinc/05/83/04/176058304.db2.gz RKPRJNATJWESBP-AWEZNQCLSA-N 1 0 294.782 2.202 10 0 CEAERO CN(Cc1cccnc1Cl)C[C@@H]1CC[N@H+](C)C1 ZINC000071189075 176064128 /nfs/dbraw/zinc/06/41/28/176064128.db2.gz QDHLLMBSCKFJLI-LLVKDONJSA-N 1 0 253.777 2.119 10 0 CEAERO CN(Cc1ccnc(Cl)c1)C[C@@H]1CC[N@H+](C)C1 ZINC000071189077 176064235 /nfs/dbraw/zinc/06/42/35/176064235.db2.gz LRINFOJDACASKD-GFCCVEGCSA-N 1 0 253.777 2.119 10 0 CEAERO Cc1ccc(C(=O)CC[N@@H+](C)C[C@H]2CCN(C)C2)cc1 ZINC000071191225 176069486 /nfs/dbraw/zinc/06/94/86/176069486.db2.gz LPKWPZKBDAJKSO-HNNXBMFYSA-N 1 0 274.408 2.451 10 0 CEAERO CCNc1ccc(C(=O)N(C)C[C@H]2CC[N@H+](C)C2)cc1C ZINC000071193208 176075486 /nfs/dbraw/zinc/07/54/86/176075486.db2.gz HRXXPDJDCOSWRS-AWEZNQCLSA-N 1 0 289.423 2.451 10 0 CEAERO CCC[NH2+][C@@H]1CCCN(Cc2ccc3c(c2)OCO3)C1 ZINC000071199691 176077107 /nfs/dbraw/zinc/07/71/07/176077107.db2.gz PZKBUUUIYUEOEW-CQSZACIVSA-N 1 0 276.380 2.379 10 0 CEAERO CCC[NH2+][C@@H]1CCCN(CCc2nc(C)cs2)C1 ZINC000071200235 176077910 /nfs/dbraw/zinc/07/79/10/176077910.db2.gz VLSMHMWZVYRUOO-CYBMUJFWSA-N 1 0 267.442 2.458 10 0 CEAERO COc1ccc([C@H]2C[NH2+][C@H](C)C2)c(OC)c1OC ZINC000071202232 176078061 /nfs/dbraw/zinc/07/80/61/176078061.db2.gz YFMDIMTUIWHGNC-NXEZZACHSA-N 1 0 251.326 2.178 10 0 CEAERO C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(C(N)=O)ccc1F ZINC000071207300 176080706 /nfs/dbraw/zinc/08/07/06/176080706.db2.gz KEFHFFRWUZAIIA-RNCFNFMXSA-N 1 0 250.317 2.203 10 0 CEAERO C[C@@H]([NH3+])c1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2C)cc1 ZINC000071209862 176082093 /nfs/dbraw/zinc/08/20/93/176082093.db2.gz TYDFXUFQFFLDID-WDMOLILDSA-N 1 0 282.409 2.173 10 0 CEAERO O=c1ccc(C(F)(F)F)cn1CC[NH2+]Cc1ccco1 ZINC000071212107 176083768 /nfs/dbraw/zinc/08/37/68/176083768.db2.gz OMZFNGWFRCOIMW-UHFFFAOYSA-N 1 0 286.253 2.250 10 0 CEAERO C[N@@H+](Cc1ccc(F)cc1C(N)=S)C[C@@H]1CCCCO1 ZINC000071265941 176099414 /nfs/dbraw/zinc/09/94/14/176099414.db2.gz GLRHSIIRSGMLPP-ZDUSSCGKSA-N 1 0 296.411 2.461 10 0 CEAERO C[N@@H+](Cc1ccc(F)cc1C(N)=S)C[C@H]1CCCCO1 ZINC000071265943 176099522 /nfs/dbraw/zinc/09/95/22/176099522.db2.gz GLRHSIIRSGMLPP-CYBMUJFWSA-N 1 0 296.411 2.461 10 0 CEAERO NC(=[NH2+])c1cc(F)ccc1COCC(F)(F)F ZINC000071268158 176101862 /nfs/dbraw/zinc/10/18/62/176101862.db2.gz ZHRVDPBTRYBCIB-UHFFFAOYSA-N 1 0 250.195 2.189 10 0 CEAERO CCOC(=O)[C@H](C)C[NH2+][C@@H](C)Cc1cccs1 ZINC000071269836 176103585 /nfs/dbraw/zinc/10/35/85/176103585.db2.gz JOPFGBPEFKBOOI-MNOVXSKESA-N 1 0 255.383 2.468 10 0 CEAERO CCOC(=O)CCCCC[NH+]1CCC(C(=O)OCC)CC1 ZINC000071297907 176112760 /nfs/dbraw/zinc/11/27/60/176112760.db2.gz QNQITVJJBFEAJZ-UHFFFAOYSA-N 1 0 299.411 2.385 10 0 CEAERO COc1ccc(CNC2=[NH+]C[C@H](C3CC3)S2)cn1 ZINC000071308119 176115999 /nfs/dbraw/zinc/11/59/99/176115999.db2.gz MWCAJKCZNGPISN-LLVKDONJSA-N 1 0 263.366 2.061 10 0 CEAERO CCN([C@@H](C)c1nc2ccccc2n1C)[C@@H]1CC[NH2+]C1 ZINC000071312199 176119019 /nfs/dbraw/zinc/11/90/19/176119019.db2.gz SZZOTNJNZVTPFU-QWHCGFSZSA-N 1 0 272.396 2.318 10 0 CEAERO CCN(Cc1cn(C)c2ccccc12)[C@@H]1CC[NH2+]C1 ZINC000071312307 176119152 /nfs/dbraw/zinc/11/91/52/176119152.db2.gz VWHJDUDEXXJYJB-CQSZACIVSA-N 1 0 257.381 2.362 10 0 CEAERO CCC[N@@H+]1CCC[C@H]([C@@H](C)NCc2ccnn2C)C1 ZINC000071333313 176125950 /nfs/dbraw/zinc/12/59/50/176125950.db2.gz ZHUYSAGUVCPVNP-KGLIPLIRSA-N 1 0 264.417 2.020 10 0 CEAERO C[C@H]1CCC[NH2+][C@H]1CNC(=O)CCc1ccccc1 ZINC000071338479 176128874 /nfs/dbraw/zinc/12/88/74/176128874.db2.gz HWXVHSGWBISGQM-ZFWWWQNUSA-N 1 0 260.381 2.124 10 0 CEAERO COc1cccc(CN2CC(C)(C)[NH2+]C[C@H]2C2CC2)n1 ZINC000071342792 176130366 /nfs/dbraw/zinc/13/03/66/176130366.db2.gz PMMMBSGDMPYWLN-AWEZNQCLSA-N 1 0 275.396 2.053 10 0 CEAERO Cc1nccn1CCN1C[C@@H](C(C)C)[NH2+]C[C@@]1(C)C1CC1 ZINC000071342147 176130494 /nfs/dbraw/zinc/13/04/94/176130494.db2.gz UZRHJYYZTAADGV-IRXDYDNUSA-N 1 0 290.455 2.290 10 0 CEAERO CCC[C@H]1C[NH2+][C@H](CC)CN1Cc1cccc(OC)n1 ZINC000071343574 176130724 /nfs/dbraw/zinc/13/07/24/176130724.db2.gz RZIMNOLONGLCGM-HIFRSBDPSA-N 1 0 277.412 2.443 10 0 CEAERO C[C@H]1C[NH2+][C@@H](Cc2ccccc2)CN1CC(F)(F)F ZINC000071352574 176135480 /nfs/dbraw/zinc/13/54/80/176135480.db2.gz AHWMDIICEIJFJD-AAEUAGOBSA-N 1 0 272.314 2.454 10 0 CEAERO CC[C@@H](C)[C@H]1C[NH2+][C@@](C)(CC)CN1Cc1ncccn1 ZINC000071357090 176136516 /nfs/dbraw/zinc/13/65/16/176136516.db2.gz RDLLBOBBYFECJM-FMKPAKJESA-N 1 0 276.428 2.465 10 0 CEAERO CC[C@H](C)[C@H]1CN(Cc2ncccn2)[C@@](C)(CC)C[NH2+]1 ZINC000071355881 176136927 /nfs/dbraw/zinc/13/69/27/176136927.db2.gz HKKUFINDSDRPSN-LZWOXQAQSA-N 1 0 276.428 2.465 10 0 CEAERO CC[C@@H](C)[C@@H]1C[NH2+][C@@](C)(CC)CN1CCOCCOC ZINC000071357144 176137235 /nfs/dbraw/zinc/13/72/35/176137235.db2.gz UAQRCKWRMYIQEL-PMPSAXMXSA-N 1 0 286.460 2.138 10 0 CEAERO CC(C)[C@H]1C[NH2+]C2(CCCC2)CN1Cc1ncccn1 ZINC000071358495 176137283 /nfs/dbraw/zinc/13/72/83/176137283.db2.gz ZKIIFWMNVDFAFI-CQSZACIVSA-N 1 0 274.412 2.219 10 0 CEAERO CC[C@H]1C[NH2+]C2(CCCC2)CN1Cc1cnn(CC)c1 ZINC000071358339 176137803 /nfs/dbraw/zinc/13/78/03/176137803.db2.gz AXSRQGXFRUUSNO-HNNXBMFYSA-N 1 0 276.428 2.400 10 0 CEAERO CC(C)C[C@H](CN(C)C)[NH2+]Cc1cnn2ccccc12 ZINC000071373076 176138198 /nfs/dbraw/zinc/13/81/98/176138198.db2.gz FBYSTEVIFZABEY-OAHLLOKOSA-N 1 0 274.412 2.400 10 0 CEAERO Cn1c(C[NH3+])nnc1SCc1ccc2ccccc2n1 ZINC000071373677 176138952 /nfs/dbraw/zinc/13/89/52/176138952.db2.gz CSBDAHMDDAYLQF-UHFFFAOYSA-N 1 0 285.376 2.114 10 0 CEAERO Cn1c(C[NH3+])nnc1SCc1ccc2ncccc2c1 ZINC000071373684 176139091 /nfs/dbraw/zinc/13/90/91/176139091.db2.gz LWSWPKVYSHWOQK-UHFFFAOYSA-N 1 0 285.376 2.114 10 0 CEAERO Cc1c(N)cccc1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000071376438 176141296 /nfs/dbraw/zinc/14/12/96/176141296.db2.gz GYDBLBXQDVPZRT-UHFFFAOYSA-N 1 0 275.396 2.181 10 0 CEAERO Cc1cc2ncnn2c(NCC[N@@H+](C)C2CCCC2)c1 ZINC000071377619 176142723 /nfs/dbraw/zinc/14/27/23/176142723.db2.gz NIUQKWMJANBWSG-UHFFFAOYSA-N 1 0 273.384 2.324 10 0 CEAERO Cn1ccnc1COc1ccc(C[NH3+])cc1C(F)(F)F ZINC000071398328 176151717 /nfs/dbraw/zinc/15/17/17/176151717.db2.gz LZYZAZOSQMMAQH-UHFFFAOYSA-N 1 0 285.269 2.477 10 0 CEAERO CC[NH2+]Cc1ccc(O[C@H](C)C(N)=O)c(C(F)(F)F)c1 ZINC000071398649 176151890 /nfs/dbraw/zinc/15/18/90/176151890.db2.gz APKVXQMUVWVZEP-MRVPVSSYSA-N 1 0 290.285 2.068 10 0 CEAERO CCOC(=O)[C@@H](C)Oc1ccc(C)cc1C[NH2+]C ZINC000071403527 176154843 /nfs/dbraw/zinc/15/48/43/176154843.db2.gz NVWPXQQAWBSZPI-LLVKDONJSA-N 1 0 251.326 2.045 10 0 CEAERO CCCCOC(=O)COc1ccc(C)cc1C[NH3+] ZINC000071403184 176154845 /nfs/dbraw/zinc/15/48/45/176154845.db2.gz FBKDMASHKKEUBC-UHFFFAOYSA-N 1 0 251.326 2.176 10 0 CEAERO CCN(CC)C(=O)[C@H](C)Oc1ccc(C)cc1C[NH2+]C ZINC000071403700 176155088 /nfs/dbraw/zinc/15/50/88/176155088.db2.gz AQPOZTGPTNWNIZ-ZDUSSCGKSA-N 1 0 278.396 2.350 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc(C)ccc1O[C@H](C)C(=O)OC ZINC000071412161 176157379 /nfs/dbraw/zinc/15/73/79/176157379.db2.gz ZDWMWMHESNCJMH-DGCLKSJQSA-N 1 0 265.353 2.215 10 0 CEAERO Cc1ccc(OCCn2ccnc2)c(C[C@@H](C)[NH3+])c1 ZINC000071411877 176157489 /nfs/dbraw/zinc/15/74/89/176157489.db2.gz HZJUJFDEDUOFBV-CYBMUJFWSA-N 1 0 259.353 2.160 10 0 CEAERO Cc1ccncc1NC(=O)Nc1cccc(C[NH3+])c1 ZINC000071414518 176159459 /nfs/dbraw/zinc/15/94/59/176159459.db2.gz LNVSHTABLGVVIM-UHFFFAOYSA-N 1 0 256.309 2.493 10 0 CEAERO c1csc([C@H]2CCCCN2C[C@@H]2CCC3(C[NH2+]C3)O2)n1 ZINC000662260289 415729540 /nfs/dbraw/zinc/72/95/40/415729540.db2.gz KNAAJEJRWCKMPI-QWHCGFSZSA-N 1 0 293.436 2.191 10 0 CEAERO C[NH2+][C@H](C(=O)c1ccc(OC)cc1OC)C(C)C ZINC000071573115 176199948 /nfs/dbraw/zinc/19/99/48/176199948.db2.gz KGJALICRJFBRAI-ZDUSSCGKSA-N 1 0 251.326 2.131 10 0 CEAERO COc1ccc([C@H](C[NH3+])N2CCCCC2)cc1F ZINC000071574203 176200965 /nfs/dbraw/zinc/20/09/65/176200965.db2.gz IFHCUPHURCCKBU-ZDUSSCGKSA-N 1 0 252.333 2.320 10 0 CEAERO CCc1cc(Cn2cnc(CC[NH3+])c2)ccc1OC ZINC000071585432 176211033 /nfs/dbraw/zinc/21/10/33/176211033.db2.gz BEDRCIJTOBRWNV-UHFFFAOYSA-N 1 0 259.353 2.004 10 0 CEAERO CC(C)[NH2+]C[C@H](O)Cc1ccccc1Br ZINC000071611519 176231950 /nfs/dbraw/zinc/23/19/50/176231950.db2.gz MIARRWLOLGFAFX-LLVKDONJSA-N 1 0 272.186 2.351 10 0 CEAERO Cc1cnc([C@@H](C)NC(=O)c2cc3c(s2)CC[NH2+]C3)o1 ZINC000662514382 415872156 /nfs/dbraw/zinc/87/21/56/415872156.db2.gz NCRLOEFNPOZORV-SECBINFHSA-N 1 0 291.376 2.181 10 0 CEAERO Cc1cnc([C@@H](C)NC(=O)c2cccc3c2C[NH2+]C3)o1 ZINC000662514623 415872392 /nfs/dbraw/zinc/87/23/92/415872392.db2.gz PWXIHUMNYCBMTC-SNVBAGLBSA-N 1 0 271.320 2.077 10 0 CEAERO C[NH2+]CCC(=O)N[C@H](C)c1cc(C)n(C2CC2)c1C ZINC000076363892 177003496 /nfs/dbraw/zinc/00/34/96/177003496.db2.gz XWOVKDJIWJRXEW-LLVKDONJSA-N 1 0 263.385 2.227 10 0 CEAERO Cc1cc(NC(=O)C2(C[NH3+])CC2)ccc1Br ZINC000076484540 177027045 /nfs/dbraw/zinc/02/70/45/177027045.db2.gz WIGODCBNMHIRSY-UHFFFAOYSA-N 1 0 283.169 2.435 10 0 CEAERO CCCNC(=O)[C@H](CC[NH3+])c1ccc(Cl)cc1 ZINC000076658726 177047383 /nfs/dbraw/zinc/04/73/83/177047383.db2.gz ZBLMSAIPGWSING-GFCCVEGCSA-N 1 0 254.761 2.299 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@@H]([NH3+])C[C@@H]2C1 ZINC000076695215 177059873 /nfs/dbraw/zinc/05/98/73/177059873.db2.gz AFDHNDBUQDWTBZ-QJPTWQEYSA-N 1 0 254.374 2.371 10 0 CEAERO C[C@@H](C[NH3+])CC(=O)Nc1cccc(Br)c1 ZINC000076710921 177067886 /nfs/dbraw/zinc/06/78/86/177067886.db2.gz MLZJLHTYGQTFBA-MRVPVSSYSA-N 1 0 271.158 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[NH3+][C@@H]1CCCc2cc(Br)ccc2[C@@H]1O ZINC000008699472 274958483 /nfs/dbraw/zinc/95/84/83/274958483.db2.gz FSXATJHMTWILTN-MNOVXSKESA-N 1 0 256.143 2.146 10 0 CEAERO [NH3+][C@@H]1CC[C@H]2CN(c3ncc(Cl)cc3F)C[C@H]12 ZINC000261555288 274959799 /nfs/dbraw/zinc/95/97/99/274959799.db2.gz PSYNGWRVTVCTKQ-OVYXKVPISA-N 1 0 255.724 2.048 10 0 CEAERO O=C1Nc2ccccc2NC12CC[NH+](CC1CC1)CC2 ZINC000082083503 275026102 /nfs/dbraw/zinc/02/61/02/275026102.db2.gz ZEXDPNVTFHNBMU-UHFFFAOYSA-N 1 0 271.364 2.295 10 0 CEAERO CC(C)c1ccc(NC(=O)CN2CCC[C@H]2C[NH3+])cc1 ZINC000128188303 275742881 /nfs/dbraw/zinc/74/28/81/275742881.db2.gz HXRPHWUARDIVSI-HNNXBMFYSA-N 1 0 275.396 2.172 10 0 CEAERO CC(C)(C)OC(=O)N1CC[NH2+][C@H](C2CCCC2)C1 ZINC000095752798 275825467 /nfs/dbraw/zinc/82/54/67/275825467.db2.gz PKFRBQGRHHLBGM-LBPRGKRZSA-N 1 0 254.374 2.386 10 0 CEAERO CC[N@H+](C)[C@@H]1CCN(c2nccc(C(F)(F)F)n2)C1 ZINC000302756428 276077439 /nfs/dbraw/zinc/07/74/39/276077439.db2.gz IRVRHYPIZOKGOV-SECBINFHSA-N 1 0 274.290 2.026 10 0 CEAERO CC[N@H+](C)[C@@H]1CCN(c2nc(C)nc3c2CCCC3)C1 ZINC000302825611 276077443 /nfs/dbraw/zinc/07/74/43/276077443.db2.gz MLHGCOLUEIGFMT-CYBMUJFWSA-N 1 0 274.412 2.194 10 0 CEAERO CC[N@H+](C)[C@H]1CCN(c2cnc3cc(F)c(F)cc3n2)C1 ZINC000302783018 276078657 /nfs/dbraw/zinc/07/86/57/276078657.db2.gz SYMSVKAWZRWEHF-JTQLQIEISA-N 1 0 292.333 2.438 10 0 CEAERO CCN1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)c2ccccc21 ZINC000246739910 276190343 /nfs/dbraw/zinc/19/03/43/276190343.db2.gz YXLKFQCVJAUBGC-ZIAGYGMSSA-N 1 0 287.407 2.377 10 0 CEAERO CC1CC[NH+](CC(=O)N2CCCC[C@@H]2c2cn[nH]c2)CC1 ZINC000137435193 276195202 /nfs/dbraw/zinc/19/52/02/276195202.db2.gz GRZMHECGISUECD-OAHLLOKOSA-N 1 0 290.411 2.195 10 0 CEAERO CCOc1ccccc1C(=O)N[C@H]1CCCC[C@@H]1[NH3+] ZINC000038049685 276382282 /nfs/dbraw/zinc/38/22/82/276382282.db2.gz LSQQGQXJZOAVOG-STQMWFEESA-N 1 0 262.353 2.085 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2SCCc3sccc32)C1 ZINC000173045986 276873296 /nfs/dbraw/zinc/87/32/96/276873296.db2.gz GLCXIAKSAQKRJR-GXFFZTMASA-N 1 0 296.461 2.241 10 0 CEAERO CC(C)(C)C1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091544744 277134877 /nfs/dbraw/zinc/13/48/77/277134877.db2.gz CIMQNZGTFXVRSO-YPMHNXCESA-N 1 0 252.402 2.399 10 0 CEAERO CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1ccno1 ZINC000232504907 277200661 /nfs/dbraw/zinc/20/06/61/277200661.db2.gz NHRYTOPYKPZNLS-YPMHNXCESA-N 1 0 295.383 2.458 10 0 CEAERO C[NH2+]C[C@H]1CCCN(c2nc3ccccc3nc2C)C1 ZINC000052099570 277283671 /nfs/dbraw/zinc/28/36/71/277283671.db2.gz WIOZWYWDUCTHDN-CYBMUJFWSA-N 1 0 270.380 2.374 10 0 CEAERO CO[C@H](C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000248596665 277324490 /nfs/dbraw/zinc/32/44/90/277324490.db2.gz MQCPRGCRQLDTFW-ZOBORPQBSA-N 1 0 298.427 2.256 10 0 CEAERO CC(C)C1CCC([NH2+][C@@H]2CCC(=O)N[C@@H]2C)CC1 ZINC000335803529 277341226 /nfs/dbraw/zinc/34/12/26/277341226.db2.gz OILBTQZJTGYZPE-BLYZHGLHSA-N 1 0 252.402 2.458 10 0 CEAERO CS[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000159572239 277519103 /nfs/dbraw/zinc/51/91/03/277519103.db2.gz NINWNFMLDLOBFS-MROQNXINSA-N 1 0 270.442 2.294 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](C)CN1c1cncc(Br)c1 ZINC000261532784 277935764 /nfs/dbraw/zinc/93/57/64/277935764.db2.gz KEEAZTOLTFEYOL-DTWKUNHWSA-N 1 0 270.174 2.031 10 0 CEAERO C[C@@H]1C[C@H]([NH2+]C[C@H]2CN(C)CCN2C)CC(C)(C)C1 ZINC000252093793 278026854 /nfs/dbraw/zinc/02/68/54/278026854.db2.gz HMKJGIHWGKGELZ-ILXRZTDVSA-N 1 0 267.461 2.037 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1cc(C(F)(F)F)ccc1F ZINC000261694166 278081546 /nfs/dbraw/zinc/08/15/46/278081546.db2.gz HUFKWEHEMPGJFY-HQJQHLMTSA-N 1 0 290.260 2.406 10 0 CEAERO CC(C)n1ccnc1CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000172083173 278136594 /nfs/dbraw/zinc/13/65/94/278136594.db2.gz IVDFAHISHODJHT-UONOGXRCSA-N 1 0 262.401 2.133 10 0 CEAERO C[C@@H]1CCC[C@@](CNc2ccnc(C(N)=O)c2)([NH+](C)C)C1 ZINC000040670004 278504769 /nfs/dbraw/zinc/50/47/69/278504769.db2.gz HTSBDGDQABQGLK-MLGOLLRUSA-N 1 0 290.411 2.103 10 0 CEAERO CCC1(CC)[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C[C@H]1OC ZINC000261670545 278633390 /nfs/dbraw/zinc/63/33/90/278633390.db2.gz GAMIKNMCRXAMQI-AAVRWANBSA-N 1 0 282.428 2.071 10 0 CEAERO C[C@@H]1CN(c2ccc(Br)cn2)C[C@@H]1[NH+](C)C ZINC000123994408 278800698 /nfs/dbraw/zinc/80/06/98/278800698.db2.gz JKQGYRNKBSOHCB-KOLCDFICSA-N 1 0 284.201 2.230 10 0 CEAERO CCC[C@@H](C(=O)N(C)Cc1ccc(OC)cc1)[NH+](C)C ZINC000153165287 278853399 /nfs/dbraw/zinc/85/33/99/278853399.db2.gz AZLIIGRMSKUEEV-HNNXBMFYSA-N 1 0 278.396 2.384 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NC1CCCC1 ZINC000123271545 279127418 /nfs/dbraw/zinc/12/74/18/279127418.db2.gz HBSYXIFAUZJQDE-CYBMUJFWSA-N 1 0 255.406 2.205 10 0 CEAERO Cc1nc2ccccc2nc1N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261868833 279131127 /nfs/dbraw/zinc/13/11/27/279131127.db2.gz YREAAIBGMLQIDN-INIZCTEOSA-N 1 0 268.364 2.128 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CCCC2(C)C)C1 ZINC000246602585 279295034 /nfs/dbraw/zinc/29/50/34/279295034.db2.gz KIAXSCRQAQBROU-OLZOCXBDSA-N 1 0 267.417 2.349 10 0 CEAERO C[C@H]1CCc2nc(NC(=O)C3CC[NH2+]CC3)sc2C1 ZINC000262672410 279774252 /nfs/dbraw/zinc/77/42/52/279774252.db2.gz RREGRBCXORKJBL-VIFPVBQESA-N 1 0 279.409 2.206 10 0 CEAERO CCC[C@@H](C(=O)NCC[C@H](OCC)C(C)C)[NH+](C)C ZINC000126712303 279840786 /nfs/dbraw/zinc/84/07/86/279840786.db2.gz GQVIRTORANHAOP-KBPBESRZSA-N 1 0 272.433 2.284 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CCC(=O)OC(C)(C)C ZINC000135582099 280050298 /nfs/dbraw/zinc/05/02/98/280050298.db2.gz HZYUBHKKIJDVJJ-CYBMUJFWSA-N 1 0 270.417 2.134 10 0 CEAERO CC(C)(C)c1nc(C[NH2+]CC2CC(O)C2)cs1 ZINC000229246564 280217803 /nfs/dbraw/zinc/21/78/03/280217803.db2.gz PGFHNZIQYLKZSO-UHFFFAOYSA-N 1 0 254.399 2.301 10 0 CEAERO CC(C)[C@H](C)NC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000182190775 280218352 /nfs/dbraw/zinc/21/83/52/280218352.db2.gz AGPQZHLSJVPPLI-IHRRRGAJSA-N 1 0 267.417 2.157 10 0 CEAERO CC(C)[C@H](C)NC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000125692979 280220867 /nfs/dbraw/zinc/22/08/67/280220867.db2.gz NOUYUICWSDCZJY-OLZOCXBDSA-N 1 0 255.406 2.205 10 0 CEAERO Cc1c(Cl)cccc1C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000261567082 280231771 /nfs/dbraw/zinc/23/17/71/280231771.db2.gz ZOSYNJJRXXNNNS-BXKDBHETSA-N 1 0 252.745 2.210 10 0 CEAERO O=C1CC2(CN1)CC[NH+](C[C@H]1CCCC(F)(F)C1)CC2 ZINC000335927633 280248838 /nfs/dbraw/zinc/24/88/38/280248838.db2.gz NYHKXILSCLJELO-LBPRGKRZSA-N 1 0 286.366 2.414 10 0 CEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)OCC(F)(F)F)C1 ZINC000246166655 280277953 /nfs/dbraw/zinc/27/79/53/280277953.db2.gz FCFQACAEKQEOPA-DTWKUNHWSA-N 1 0 268.279 2.004 10 0 CEAERO CC[C@@H]1CN(C(=O)C[C@@H]2CC[C@@H](C)C2)CC[N@@H+]1C[C@H](C)O ZINC000247659208 280337408 /nfs/dbraw/zinc/33/74/08/280337408.db2.gz PVAKYVWQIPBBFO-QKPAOTATSA-N 1 0 296.455 2.116 10 0 CEAERO Cc1cc(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)ccc1Br ZINC000235681988 280343456 /nfs/dbraw/zinc/34/34/56/280343456.db2.gz ZUGMAFYBROERBI-CABZTGNLSA-N 1 0 297.196 2.177 10 0 CEAERO CCC[C@@H](C)[N@@H+]1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000249275216 280390319 /nfs/dbraw/zinc/39/03/19/280390319.db2.gz LSLYOMXDVQFECR-UKRRQHHQSA-N 1 0 265.401 2.389 10 0 CEAERO CCCN(C[C@@H]1CCCCO1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261617828 280529940 /nfs/dbraw/zinc/52/99/40/280529940.db2.gz AKIPMZSVMOTKSR-QLFBSQMISA-N 1 0 282.428 2.169 10 0 CEAERO [NH3+][C@@H]1CN(c2ncc(Cl)cn2)C[C@H]1c1ccccc1 ZINC000328303023 280603910 /nfs/dbraw/zinc/60/39/10/280603910.db2.gz XZDCRSBMSKMMNR-QWHCGFSZSA-N 1 0 274.755 2.061 10 0 CEAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3ncnn3C2)s1 ZINC000180596071 280980397 /nfs/dbraw/zinc/98/03/97/280980397.db2.gz FVOXRPUUHKFCMC-WDEREUQCSA-N 1 0 262.382 2.314 10 0 CEAERO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)CS(C)(=O)=O)[C@H](C)C2 ZINC000245951771 281125159 /nfs/dbraw/zinc/12/51/59/281125159.db2.gz LFBIXSNHNQQVOA-LALPHHSUSA-N 1 0 281.421 2.251 10 0 CEAERO Cc1ccc2cc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)[nH]c2c1 ZINC000195328416 281139029 /nfs/dbraw/zinc/13/90/29/281139029.db2.gz XOEQFWHEUUDBCK-CQSZACIVSA-N 1 0 283.375 2.397 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC(C1CC1)C1CC1 ZINC000173657281 281188959 /nfs/dbraw/zinc/18/89/59/281188959.db2.gz FWUFKWNWUWCMDP-LSDHHAIUSA-N 1 0 291.439 2.443 10 0 CEAERO CC[C@](C)(O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000168320891 281291178 /nfs/dbraw/zinc/29/11/78/281291178.db2.gz BISLBKIWGOXNIZ-XGUBFFRZSA-N 1 0 255.402 2.163 10 0 CEAERO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@H]1CN(C)CCO1 ZINC000246415272 281303865 /nfs/dbraw/zinc/30/38/65/281303865.db2.gz MTSDIFULPJNFBM-YCPHGPKFSA-N 1 0 274.408 2.464 10 0 CEAERO Cc1ccnc(N2CC[C@H]([C@@H](C)[NH3+])C2)c1Br ZINC000261534727 281462677 /nfs/dbraw/zinc/46/26/77/281462677.db2.gz TWWJWOAYNUCISU-ZJUUUORDSA-N 1 0 284.201 2.326 10 0 CEAERO CN(C(=O)NC1CCCCC1)[C@H]1CCC[NH2+]CC1 ZINC000226459279 281759231 /nfs/dbraw/zinc/75/92/31/281759231.db2.gz OVTROQDJGKREBI-ZDUSSCGKSA-N 1 0 253.390 2.103 10 0 CEAERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000248852457 289992336 /nfs/dbraw/zinc/99/23/36/289992336.db2.gz HQDRZBDKGISHRK-AICCOOGYSA-N 1 0 282.428 2.037 10 0 CEAERO CCc1cccc(CC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000151315032 289054775 /nfs/dbraw/zinc/05/47/75/289054775.db2.gz VDISKHFSWYMJGO-WMLDXEAASA-N 1 0 286.419 2.487 10 0 CEAERO CS[C@H](C)CC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000153029985 289103942 /nfs/dbraw/zinc/10/39/42/289103942.db2.gz PQUCHYKACQKCLK-CHWSQXEVSA-N 1 0 272.458 2.365 10 0 CEAERO CC(=O)N[C@@H]1CCC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000153898606 289126593 /nfs/dbraw/zinc/12/65/93/289126593.db2.gz POQVTSHIQOHHPZ-WPTTZPOMSA-N 1 0 276.355 2.439 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2CCCCC2(C)C)C1 ZINC000157177629 289209027 /nfs/dbraw/zinc/20/90/27/289209027.db2.gz GJJBZBNEKWDIJG-CHWSQXEVSA-N 1 0 267.417 2.301 10 0 CEAERO c1sc2ccccc2c1CN1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404075484 289291330 /nfs/dbraw/zinc/29/13/30/289291330.db2.gz QNSXLGFXQQUCRV-LSDHHAIUSA-N 1 0 288.416 2.464 10 0 CEAERO C[C@H](NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2)C1CCCC1 ZINC000262323933 289917904 /nfs/dbraw/zinc/91/79/04/289917904.db2.gz DBWLAKKUWFEPRY-DUVNUKRYSA-N 1 0 264.413 2.461 10 0 CEAERO [NH3+]C1(C(=O)NC2CCC(C(F)(F)F)CC2)CCCC1 ZINC000037616710 295202244 /nfs/dbraw/zinc/20/22/44/295202244.db2.gz SRTHZJFSHQKBIP-UHFFFAOYSA-N 1 0 278.318 2.495 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCC[C@H]1c1cccnc1 ZINC000089450960 295271839 /nfs/dbraw/zinc/27/18/39/295271839.db2.gz OGLPPIQPEVHBOE-YUELXQCFSA-N 1 0 273.380 2.120 10 0 CEAERO COc1csc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1 ZINC000176656464 295442543 /nfs/dbraw/zinc/44/25/43/295442543.db2.gz CDAOAYCDIFHCPN-LLVKDONJSA-N 1 0 284.425 2.463 10 0 CEAERO CCC[C@H](C(=O)N1CC[C@@H](OCCC(C)C)C1)[NH+](C)C ZINC000162437175 297452256 /nfs/dbraw/zinc/45/22/56/297452256.db2.gz XSWJUVMPOPOYHC-HUUCEWRRSA-N 1 0 284.444 2.380 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000094646694 297533991 /nfs/dbraw/zinc/53/39/91/297533991.db2.gz HRLDLOBQXHMJIR-INRQWTSDSA-N 1 0 276.424 2.460 10 0 CEAERO COCc1ccccc1C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000566672858 299013263 /nfs/dbraw/zinc/01/32/63/299013263.db2.gz IFVKYHKKXZFTNT-AWEZNQCLSA-N 1 0 276.380 2.047 10 0 CEAERO C[C@H](NC(=O)C1([NH3+])CC1)C12CC3CC(CC(C3)C1)C2 ZINC000088129616 299030996 /nfs/dbraw/zinc/03/09/96/299030996.db2.gz HBWDQLHXYMJKFM-OWWVKFPZSA-N 1 0 262.397 2.199 10 0 CEAERO Cc1ccccc1[C@H](C)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000248135915 302175927 /nfs/dbraw/zinc/17/59/27/302175927.db2.gz PBKYSHFWENECLL-GJZGRUSLSA-N 1 0 262.397 2.318 10 0 CEAERO [NH3+][C@@H]1CCC[C@H](C(=O)NC2(c3ccccc3F)CC2)C1 ZINC000237894661 303463143 /nfs/dbraw/zinc/46/31/43/303463143.db2.gz RWXUCZGGCJFNJE-NWDGAFQWSA-N 1 0 276.355 2.449 10 0 CEAERO CCOc1cccc(CNC(=O)[C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000384372753 321852004 /nfs/dbraw/zinc/85/20/04/321852004.db2.gz IWKRJBVXWQKMMH-DOMZBBRYSA-N 1 0 276.380 2.090 10 0 CEAERO C[C@@H]1C[NH2+]CC[C@@]12C[C@H](N(C)C(=O)OC(C)(C)C)CO2 ZINC000536956554 330383317 /nfs/dbraw/zinc/38/33/17/330383317.db2.gz YOSXSJFSPCDHIN-TYNCELHUSA-N 1 0 284.400 2.010 10 0 CEAERO CCNCC(=O)OCC1CC[NH+](Cc2ccccc2)CC1 ZINC000309929080 333051448 /nfs/dbraw/zinc/05/14/48/333051448.db2.gz VELKINIPZAKKLA-UHFFFAOYSA-N 1 0 290.407 2.051 10 0 CEAERO c1cncc(N2CC[C@H]3C[N@@H+](CC4CC4)C[C@H]3C2)c1 ZINC000253596888 333185755 /nfs/dbraw/zinc/18/57/55/333185755.db2.gz XNJLQENLVMHYPQ-GJZGRUSLSA-N 1 0 257.381 2.250 10 0 CEAERO CC(C)([NH3+])c1noc(COc2cc(F)cc(F)c2)n1 ZINC000054933117 519300745 /nfs/dbraw/zinc/30/07/45/519300745.db2.gz UNQQUCGKSXQUFL-UHFFFAOYSA-N 1 0 269.251 2.121 10 0 CEAERO CC(C)CCC[C@H](C)NC(=O)c1ccc(NN)[nH+]c1 ZINC000051124869 519648102 /nfs/dbraw/zinc/64/81/02/519648102.db2.gz DZNYSOBASYZTLK-NSHDSACASA-N 1 0 264.373 2.312 10 0 CEAERO CC(C)[NH2+][C@@](C)(CC[N@@H+]1CCCC(C)(C)C1)C(=O)[O-] ZINC000069516833 519736120 /nfs/dbraw/zinc/73/61/20/519736120.db2.gz FZICJMOSHCDGJB-HNNXBMFYSA-N 1 0 270.417 2.340 10 0 CEAERO CCCNC(=O)[C@H](C[NH3+])Cc1cccc(OCCC)c1 ZINC000052920852 519894809 /nfs/dbraw/zinc/89/48/09/519894809.db2.gz GAXAVMQBBVTLJK-AWEZNQCLSA-N 1 0 278.396 2.119 10 0 CEAERO CCCC1CC[NH+](CC[C@@](C)(NCC)C(=O)OC)CC1 ZINC000050905743 519901750 /nfs/dbraw/zinc/90/17/50/519901750.db2.gz WZHBVCHLPXCVRY-MRXNPFEDSA-N 1 0 284.444 2.430 10 0 CEAERO CCCC1CC[NH+](CCCC[C@](C)([NH3+])C(=O)[O-])CC1 ZINC000050905624 519900997 /nfs/dbraw/zinc/90/09/97/519900997.db2.gz BINIMBGSPTZPIC-HNNXBMFYSA-N 1 0 270.417 2.471 10 0 CEAERO CCC[NH2+]CCN1CCN(c2ccccc2Cl)CC1 ZINC000048784566 519914343 /nfs/dbraw/zinc/91/43/43/519914343.db2.gz GIQFGYJWWJQMRU-UHFFFAOYSA-N 1 0 281.831 2.462 10 0 CEAERO CC[NH2+]CCC(=O)N[C@@H](C)c1c(F)cccc1F ZINC000061293478 519916664 /nfs/dbraw/zinc/91/66/64/519916664.db2.gz UWNALGDLFAGDON-VIFPVBQESA-N 1 0 256.296 2.142 10 0 CEAERO CC[NH2+]CCS(=O)(=O)Nc1cccc(C(F)(F)F)c1 ZINC000049640641 519927149 /nfs/dbraw/zinc/92/71/49/519927149.db2.gz AEFIYKIQUWPSKG-UHFFFAOYSA-N 1 0 296.314 2.057 10 0 CEAERO CCC[NH2+]C[C@H](C(C)C)N1CCN(c2nccs2)CC1 ZINC000052417594 519929399 /nfs/dbraw/zinc/92/93/99/519929399.db2.gz YEAVYPLIUSPTGW-CQSZACIVSA-N 1 0 296.484 2.289 10 0 CEAERO CC[NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCCO2 ZINC000055027893 519973618 /nfs/dbraw/zinc/97/36/18/519973618.db2.gz XACVTSZYNJBTAC-NSHDSACASA-N 1 0 271.744 2.144 10 0 CEAERO CC[NH2+]C[C@H]1OCCN(C)[C@@H]1c1ccc(C)cc1C ZINC000070285264 519982008 /nfs/dbraw/zinc/98/20/08/519982008.db2.gz ODDRAZYQMOTMON-HZPDHXFCSA-N 1 0 262.397 2.285 10 0 CEAERO CCC[NH2+][C@@H](CC[N@H+](C)[C@@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000062522642 519996319 /nfs/dbraw/zinc/99/63/19/519996319.db2.gz OTQRCGXOWFKJMM-MELADBBJSA-N 1 0 270.417 2.340 10 0 CEAERO CC[NH2+]Cc1nc(-n2ccc(C)n2)ccc1Cl ZINC000052885123 520021091 /nfs/dbraw/zinc/02/10/91/520021091.db2.gz ZJBTWBBFGSEIKD-UHFFFAOYSA-N 1 0 250.733 2.339 10 0 CEAERO CCC[NH2+][C@@](C)(C[C@@H](C)Oc1ccc(F)cc1)C(N)=O ZINC000068656481 520041162 /nfs/dbraw/zinc/04/11/62/520041162.db2.gz OUAADLNYSGIRGB-ABAIWWIYSA-N 1 0 282.359 2.227 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N(Cc1ccc(C)o1)C1CC1 ZINC000061272376 520061582 /nfs/dbraw/zinc/06/15/82/520061582.db2.gz YIEQNWLQXKMVST-NSHDSACASA-N 1 0 264.369 2.467 10 0 CEAERO CCCN[C@](C)(CC[NH+]1CCC(CCC)CC1)C(N)=O ZINC000050905571 520106059 /nfs/dbraw/zinc/10/60/59/520106059.db2.gz WDERUGONZZCMKE-MRXNPFEDSA-N 1 0 283.460 2.132 10 0 CEAERO CC[NH2+][C@@](C)(CSCc1ccccc1C)C(N)=O ZINC000054964684 520136836 /nfs/dbraw/zinc/13/68/36/520136836.db2.gz ZJDLWEGZZFEMBT-AWEZNQCLSA-N 1 0 266.410 2.082 10 0 CEAERO CCN[C@@](C)(C[C@@H](C)[N@@H+]1CCC[C@H](C(C)C)CC1)C(N)=O ZINC000068648121 520139231 /nfs/dbraw/zinc/13/92/31/520139231.db2.gz BZUDOFCBFNNCQD-VYDXJSESSA-N 1 0 297.487 2.377 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1C(=O)OC ZINC000061270320 520169882 /nfs/dbraw/zinc/16/98/82/520169882.db2.gz HSPUCNDAROCAHR-LLVKDONJSA-N 1 0 278.352 2.108 10 0 CEAERO CCN[C@H](CC[N@H+](C)C1CCC(C)CC1)C(=O)OCC ZINC000062525018 520185351 /nfs/dbraw/zinc/18/53/51/520185351.db2.gz UBLIPBANPSZJEV-YMAMQOFZSA-N 1 0 284.444 2.428 10 0 CEAERO CCN[C@H](CC[N@H+](CC)C1CCCCC1)C(=O)OC ZINC000062439152 520186859 /nfs/dbraw/zinc/18/68/59/520186859.db2.gz JGKIFKCLDVXWJO-CQSZACIVSA-N 1 0 270.417 2.182 10 0 CEAERO CC[NH2+][C@H](Cc1ccc(OC)cc1)c1ccnn1C ZINC000069467594 520202230 /nfs/dbraw/zinc/20/22/30/520202230.db2.gz OANNQSOIFBKWTN-CQSZACIVSA-N 1 0 259.353 2.322 10 0 CEAERO CC[NH2+][C@H](Cc1csc(C)n1)c1nccn1C ZINC000069473827 520204212 /nfs/dbraw/zinc/20/42/12/520204212.db2.gz BBYKFWJLURSRFL-LLVKDONJSA-N 1 0 250.371 2.078 10 0 CEAERO CCN[C@](C)(C[C@@H](C)[N@H+]1C[C@H](C)C[C@H](C)C1)C(=O)OC ZINC000068618135 520235503 /nfs/dbraw/zinc/23/55/03/520235503.db2.gz IOXKKLFNGGQGPN-HLPPOEQASA-N 1 0 284.444 2.284 10 0 CEAERO CCCC[N@H+](CC)C[C@](NC1CC1)(C(=O)OC)C1CC1 ZINC000069090155 520479021 /nfs/dbraw/zinc/47/90/21/520479021.db2.gz WCVFKESRPXENRK-MRXNPFEDSA-N 1 0 282.428 2.182 10 0 CEAERO CCCCOCCOC[C@@H]1CC[C@@H](C[NH2+]CCC)O1 ZINC000052629032 520789741 /nfs/dbraw/zinc/78/97/41/520789741.db2.gz QOZOJMHAYQBAMN-GJZGRUSLSA-N 1 0 273.417 2.367 10 0 CEAERO CCCCOCCOC[C@@H](O)C[NH2+][C@@H](C)CCCC ZINC000050888332 520789774 /nfs/dbraw/zinc/78/97/74/520789774.db2.gz DEMHYHUARUQVFC-GJZGRUSLSA-N 1 0 275.433 2.349 10 0 CEAERO CCOC(=O)[C@H](CC[N@H+](C)CC1CCCCC1)NC ZINC000062526546 521242681 /nfs/dbraw/zinc/24/26/81/521242681.db2.gz WXXNDPUSNNARRE-AWEZNQCLSA-N 1 0 270.417 2.040 10 0 CEAERO CCC[C@]1(C(=O)NCCCOC(C)C)CCC[NH2+]C1 ZINC000062859258 521298358 /nfs/dbraw/zinc/29/83/58/521298358.db2.gz ZHIYBVMTPWFOHE-HNNXBMFYSA-N 1 0 270.417 2.088 10 0 CEAERO CCC(C)(C)N(C)C(=O)COc1ccc(C[NH3+])cc1 ZINC000069427470 521290413 /nfs/dbraw/zinc/29/04/13/521290413.db2.gz HBLLXXMCQNNBHU-UHFFFAOYSA-N 1 0 264.369 2.171 10 0 CEAERO CCC[C@]1(C(=O)Nc2cnn(C(C)C)c2)CC[NH2+]C1 ZINC000062904814 521300704 /nfs/dbraw/zinc/30/07/04/521300704.db2.gz SKYPJPLMBZTXDO-AWEZNQCLSA-N 1 0 264.373 2.182 10 0 CEAERO CCC1(C)CC[NH+]([C@H]2CC3(CC[C@@H]2O)OCCO3)CC1 ZINC000062955639 521678125 /nfs/dbraw/zinc/67/81/25/521678125.db2.gz BPSNVCGWWJLSMT-KBPBESRZSA-N 1 0 283.412 2.155 10 0 CEAERO COCC[C@H]([NH3+])c1nc(-c2ccc(F)cc2F)c[nH]1 ZINC000052811253 521950877 /nfs/dbraw/zinc/95/08/77/521950877.db2.gz VEFSEHAJOCMFTA-NSHDSACASA-N 1 0 267.279 2.391 10 0 CEAERO C[NH2+]CC1(CN(C)Cc2ccc(C)o2)CCOCC1 ZINC000052181552 521966532 /nfs/dbraw/zinc/96/65/32/521966532.db2.gz WVYDIUADEJNUDQ-UHFFFAOYSA-N 1 0 266.385 2.036 10 0 CEAERO C[NH2+]Cc1nc(Cn2cnc3ccccc32)cs1 ZINC000052576506 522151770 /nfs/dbraw/zinc/15/17/70/522151770.db2.gz FGRRBOHOLRGAPZ-UHFFFAOYSA-N 1 0 258.350 2.261 10 0 CEAERO COC(=O)c1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cs1 ZINC000411281140 533804208 /nfs/dbraw/zinc/80/42/08/533804208.db2.gz NIBNAOWLWNCKEC-YPMHNXCESA-N 1 0 294.420 2.203 10 0 CEAERO C[NH2+][C@@](C)(CCCSc1ccc(C)cc1)C(N)=O ZINC000045557570 522411574 /nfs/dbraw/zinc/41/15/74/522411574.db2.gz YHURNVZESWEDBK-AWEZNQCLSA-N 1 0 266.410 2.331 10 0 CEAERO C[NH2+][C@@](C)(C[C@@H](C)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)[O-] ZINC000068627113 522415175 /nfs/dbraw/zinc/41/51/75/522415175.db2.gz BXOPKSCYJGEKGV-CTASWTNQSA-N 1 0 282.428 2.340 10 0 CEAERO C[NH2+][C@H](c1ccc(OC)c(Cl)c1)[C@@H]1COCCO1 ZINC000055299270 522480855 /nfs/dbraw/zinc/48/08/55/522480855.db2.gz JYDWRPQBGOATRP-QWHCGFSZSA-N 1 0 271.744 2.025 10 0 CEAERO CC[C@@H](C[NH2+]C)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000052443440 522545945 /nfs/dbraw/zinc/54/59/45/522545945.db2.gz MBOQSZXUOTWCKB-AWEZNQCLSA-N 1 0 281.831 2.460 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc(C2CCCC2)no1 ZINC000153696379 533999702 /nfs/dbraw/zinc/99/97/02/533999702.db2.gz SAIZZCNJAKSULY-GXTWGEPZSA-N 1 0 290.411 2.396 10 0 CEAERO C[C@H](Nc1ccc(Cn2cccn2)cc1)[C@H]1CC[NH2+]C1 ZINC000400425984 534023646 /nfs/dbraw/zinc/02/36/46/534023646.db2.gz YJZDMDUHICBWOE-ZFWWWQNUSA-N 1 0 270.380 2.341 10 0 CEAERO C[NH2+][C@@H](c1ccc(C)cc1)C(C)(C)S(C)(=O)=O ZINC000070128535 517975713 /nfs/dbraw/zinc/97/57/13/517975713.db2.gz KDZBLLGRDBAHCE-LBPRGKRZSA-N 1 0 255.383 2.079 10 0 CEAERO COC(=O)CS[C@H](c1ccc(C)cc1)[C@H](C)[NH3+] ZINC000042912379 517993784 /nfs/dbraw/zinc/99/37/84/517993784.db2.gz LDSUNTMASCBJKM-GWCFXTLKSA-N 1 0 253.367 2.290 10 0 CEAERO COCC[NH2+]CCC[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000094415386 518060670 /nfs/dbraw/zinc/06/06/70/518060670.db2.gz GGVNSTPXUXGILY-KGLIPLIRSA-N 1 0 273.442 2.305 10 0 CEAERO Brc1ccc(N[C@@H]2CC[N@@H+]3CCC[C@H]23)nc1 ZINC000049569100 518214123 /nfs/dbraw/zinc/21/41/23/518214123.db2.gz UZCONORTWVGOCU-GHMZBOCLSA-N 1 0 282.185 2.493 10 0 CEAERO Brc1cccc(N[C@@H]2C[NH+]3CCC2CC3)n1 ZINC000069017509 518222112 /nfs/dbraw/zinc/22/21/12/518222112.db2.gz WQKJBFWGROVGSK-SNVBAGLBSA-N 1 0 282.185 2.350 10 0 CEAERO CC(C)(C)[NH2+]CCCc1nnc([C@H]2CCCO2)o1 ZINC000050617891 518756584 /nfs/dbraw/zinc/75/65/84/518756584.db2.gz WQFHYQUSKJCNIF-SNVBAGLBSA-N 1 0 253.346 2.242 10 0 CEAERO CC(C)(C)[NH2+]Cc1cc(CN2CCOC(C)(C)C2)on1 ZINC000052481817 518762527 /nfs/dbraw/zinc/76/25/27/518762527.db2.gz VGLGQVNHDHQLGD-UHFFFAOYSA-N 1 0 281.400 2.174 10 0 CEAERO CC(C)(C)[C@@H](Cn1ccnc1)[NH2+]CC1CCOCC1 ZINC000052178380 518921508 /nfs/dbraw/zinc/92/15/08/518921508.db2.gz VRURKNFAMWSESO-CQSZACIVSA-N 1 0 265.401 2.314 10 0 CEAERO CC(C)(C)c1ncsc1C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000157757330 519119002 /nfs/dbraw/zinc/11/90/02/519119002.db2.gz FLOPYEKYJCGLRC-VHSXEESVSA-N 1 0 281.425 2.298 10 0 CEAERO CC(C)(C)n1ccnc(NCc2cccc(C[NH3+])c2)c1=O ZINC000061759048 519166602 /nfs/dbraw/zinc/16/66/02/519166602.db2.gz ASFLGVHPTHFJNY-UHFFFAOYSA-N 1 0 286.379 2.069 10 0 CEAERO CC(C)(CC(N)=O)C[C@H]([NH3+])c1ccc(F)c(F)c1 ZINC000061825254 519197891 /nfs/dbraw/zinc/19/78/91/519197891.db2.gz VZBZCRZSIVLDIT-NSHDSACASA-N 1 0 256.296 2.256 10 0 CEAERO CC(C)Cn1ccnc(Oc2ccccc2C[NH3+])c1=O ZINC000061770559 519522462 /nfs/dbraw/zinc/52/24/62/519522462.db2.gz SVUSMDAHLROMFY-UHFFFAOYSA-N 1 0 273.336 2.150 10 0 CEAERO CC(C)N(CCCO)c1cccc(Cl)c1C(N)=[NH2+] ZINC000052905670 519644763 /nfs/dbraw/zinc/64/47/63/519644763.db2.gz UWDZPCNJMBJNTK-UHFFFAOYSA-N 1 0 269.776 2.221 10 0 CEAERO CC(C)[N@H+](CCCO)[C@@H](CC(N)=S)c1ccccc1 ZINC000055025298 519644976 /nfs/dbraw/zinc/64/49/76/519644976.db2.gz QHVSVCFXGWLQOA-AWEZNQCLSA-N 1 0 280.437 2.497 10 0 CEAERO CC(C)N1C(=O)C[C@@H]([NH2+][C@H](C)c2cccc(F)c2)C1=O ZINC000049529705 519666649 /nfs/dbraw/zinc/66/66/49/519666649.db2.gz PCVXSKTVAOIDQM-ZWNOBZJWSA-N 1 0 278.327 2.012 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)CC2CCCC2)[C@@H](C)C1 ZINC000155386101 519695947 /nfs/dbraw/zinc/69/59/47/519695947.db2.gz ODABDNLPDGKFSW-JSGCOSHPSA-N 1 0 252.402 2.412 10 0 CEAERO CC(C)NC(=O)CC[NH2+]CCc1cc(F)cc(F)c1 ZINC000054048417 519703629 /nfs/dbraw/zinc/70/36/29/519703629.db2.gz AYEWOZMVRRINOH-UHFFFAOYSA-N 1 0 270.323 2.012 10 0 CEAERO CC(C)[NH2+]C[C@@H]1CC[C@@H](CN(C)CC(F)(F)F)O1 ZINC000052483393 519723425 /nfs/dbraw/zinc/72/34/25/519723425.db2.gz HWUZGPBPIWIOGZ-QWRGUYRKSA-N 1 0 268.323 2.026 10 0 CEAERO CC(C)[NH2+]C[C@@H]1C[C@]1(C)c1ccc(S(C)(=O)=O)cc1 ZINC000054595410 519724483 /nfs/dbraw/zinc/72/44/83/519724483.db2.gz CWKZDSLDWIZZBO-DZGCQCFKSA-N 1 0 281.421 2.366 10 0 CEAERO CC(C)[NH2+]Cc1cccc(N2CCCO[C@H](C)C2)n1 ZINC000061935272 519727462 /nfs/dbraw/zinc/72/74/62/519727462.db2.gz GHLFHVQMOMVHQX-CYBMUJFWSA-N 1 0 263.385 2.195 10 0 CEAERO CC(C)C[NH+]1CCN([C@H]2CNc3ccccc3C2)CC1 ZINC000055079704 519728462 /nfs/dbraw/zinc/72/84/62/519728462.db2.gz JGQMNNBEAQQIAS-MRXNPFEDSA-N 1 0 273.424 2.297 10 0 CEAERO CC(C)[NH2+][C@H](CCOc1ccccc1C(C)C)C(N)=O ZINC000062550917 519738343 /nfs/dbraw/zinc/73/83/43/519738343.db2.gz VZJOUWJOIBIOKG-CQSZACIVSA-N 1 0 278.396 2.431 10 0 CEAERO CC(C)[NH2+][C@](C)(C[C@@H](C)Oc1ccc(F)cc1)C(N)=O ZINC000068656465 519740240 /nfs/dbraw/zinc/74/02/40/519740240.db2.gz IBXGVTJCOBIOMM-IAQYHMDHSA-N 1 0 282.359 2.225 10 0 CEAERO CC(C)[NH2+][C@](C)(C[C@@H](C)Oc1cccc(F)c1)C(N)=O ZINC000068656700 519740387 /nfs/dbraw/zinc/74/03/87/519740387.db2.gz LIOPCUWXCVCMPH-IAQYHMDHSA-N 1 0 282.359 2.225 10 0 CEAERO CC(C)[NH2+][C@](COC1CCCCCC1)(C(N)=O)C1CC1 ZINC000069194452 519740676 /nfs/dbraw/zinc/74/06/76/519740676.db2.gz AGPIMRDDKZRTBK-INIZCTEOSA-N 1 0 282.428 2.358 10 0 CEAERO CC(C)C[NH2+]CC(C)(C)CN1C[C@H](C)OC[C@H]1C ZINC000051216965 519743013 /nfs/dbraw/zinc/74/30/13/519743013.db2.gz YHBOQNNCPFAWLJ-KGLIPLIRSA-N 1 0 256.434 2.367 10 0 CEAERO CC(C)C[NH2+]CCCCn1cnc2sccc2c1=O ZINC000053521873 519743324 /nfs/dbraw/zinc/74/33/24/519743324.db2.gz YYRIAUBOJUEHEU-UHFFFAOYSA-N 1 0 279.409 2.484 10 0 CEAERO CC(C)C[NH2+]Cc1nnnn1-c1cccc(Cl)c1 ZINC000054744291 519748796 /nfs/dbraw/zinc/74/87/96/519748796.db2.gz SDKAEVQSOKERMS-UHFFFAOYSA-N 1 0 265.748 2.061 10 0 CEAERO CC(C)C[NH2+]Cc1nnnn1[C@@H]1C[C@@H]1c1ccccc1 ZINC000054747479 519749006 /nfs/dbraw/zinc/74/90/06/519749006.db2.gz VVDVUBDIZLYVOH-ZIAGYGMSSA-N 1 0 271.368 2.147 10 0 CEAERO CC(C)OCCN1C[C@H](C)[NH2+]C[C@H]1Cc1ccccc1 ZINC000062670213 519766457 /nfs/dbraw/zinc/76/64/57/519766457.db2.gz WLXDKIIQSDWIOA-DOTOQJQBSA-N 1 0 276.424 2.316 10 0 CEAERO CC(C)C[C@@H](C)OCCC[C@](C)([NH2+]C(C)C)C(N)=O ZINC000045503846 519774209 /nfs/dbraw/zinc/77/42/09/519774209.db2.gz ZJZIMMCJGIJSHE-HIFRSBDPSA-N 1 0 272.433 2.460 10 0 CEAERO CC(C)Oc1nc(Cl)nc(N[C@H](C)CC[NH+](C)C)n1 ZINC000061539534 519785697 /nfs/dbraw/zinc/78/56/97/519785697.db2.gz QKOJPNMQHSWEEZ-SECBINFHSA-N 1 0 287.795 2.064 10 0 CEAERO CC(C)[C@@H](C)C(=O)N(CCC[NH3+])Cc1cccnc1 ZINC000070121777 519789947 /nfs/dbraw/zinc/78/99/47/519789947.db2.gz NMZDBTPXMZDCHL-CYBMUJFWSA-N 1 0 263.385 2.051 10 0 CEAERO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cc(N)ccc1Cl ZINC000049191840 519793263 /nfs/dbraw/zinc/79/32/63/519793263.db2.gz QVZVVLJPJLSORP-CYBMUJFWSA-N 1 0 283.803 2.238 10 0 CEAERO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccc(Cl)cc1N ZINC000049191851 519793340 /nfs/dbraw/zinc/79/33/40/519793340.db2.gz PUZIYDODWCORAV-CYBMUJFWSA-N 1 0 283.803 2.238 10 0 CEAERO CC(C)[C@@H]1CN(Cc2ncccn2)[C@H](C(C)(C)C)C[NH2+]1 ZINC000068703671 519804576 /nfs/dbraw/zinc/80/45/76/519804576.db2.gz JYCIEXZXLXKJKA-KBPBESRZSA-N 1 0 276.428 2.321 10 0 CEAERO CC(C)[C@H](CN(C)C)[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000049204668 519814531 /nfs/dbraw/zinc/81/45/31/519814531.db2.gz AAXMYCJUSCRKFY-LSDHHAIUSA-N 1 0 268.376 2.035 10 0 CEAERO CC(C)[C@H](CN(C)C)[NH2+]C[C@H](O)c1ccc(F)c(F)c1 ZINC000049204718 519814540 /nfs/dbraw/zinc/81/45/40/519814540.db2.gz RKDBAZXVKHUWKE-GJZGRUSLSA-N 1 0 286.366 2.174 10 0 CEAERO CC(C)[C@H]([NH2+]CCN1CCNC1=O)c1cccs1 ZINC000049556224 519820718 /nfs/dbraw/zinc/82/07/18/519820718.db2.gz BNMQZERUKAJRRW-LBPRGKRZSA-N 1 0 267.398 2.060 10 0 CEAERO CC(C)c1ccc(C[C@H](C[NH3+])[C@H]2CCS(=O)(=O)C2)cc1 ZINC000052946411 519836439 /nfs/dbraw/zinc/83/64/39/519836439.db2.gz SNUUTQFELQYKKE-JKSUJKDBSA-N 1 0 295.448 2.362 10 0 CEAERO CCC1CCC([N@H+](C)CCn2cc(N)cn2)CC1 ZINC000050614813 519853346 /nfs/dbraw/zinc/85/33/46/519853346.db2.gz MXQGOCBDDLRIRL-UHFFFAOYSA-N 1 0 250.390 2.366 10 0 CEAERO CCCNC(=[NH2+])Nc1cc(OC)c(OC)c(OC)c1 ZINC000052069276 519865841 /nfs/dbraw/zinc/86/58/41/519865841.db2.gz AHYILUPPHQLCGS-UHFFFAOYSA-N 1 0 267.329 2.059 10 0 CEAERO CCCNC(=O)COc1ccc2c(c1)OC[C@@H]2[NH2+]CCC ZINC000062805236 519881217 /nfs/dbraw/zinc/88/12/17/519881217.db2.gz KHLNEWLPUSIGAK-AWEZNQCLSA-N 1 0 292.379 2.025 10 0 CEAERO CCCC1(C(=O)N(C)[C@@H](C)C2CC2)CC[NH2+]CC1 ZINC000062848265 519887256 /nfs/dbraw/zinc/88/72/56/519887256.db2.gz QQBDQEKWSMUNAF-LBPRGKRZSA-N 1 0 252.402 2.413 10 0 CEAERO CCCC1(C(=O)N2CCSC[C@@H]2C)CC[NH2+]CC1 ZINC000070222078 519887821 /nfs/dbraw/zinc/88/78/21/519887821.db2.gz ACNOCNBNPRQJLE-LBPRGKRZSA-N 1 0 270.442 2.120 10 0 CEAERO CCCC1(C(=O)Nc2c(C)nn(C)c2C)CC[NH2+]CC1 ZINC000062849801 519888206 /nfs/dbraw/zinc/88/82/06/519888206.db2.gz MNKSNEJZKDSBLY-UHFFFAOYSA-N 1 0 278.400 2.145 10 0 CEAERO CCOCCC[NH2+]C[C@@H](C)n1cc(Br)cn1 ZINC000053538302 519897118 /nfs/dbraw/zinc/89/71/18/519897118.db2.gz DNOJTGQIXCFNLY-SNVBAGLBSA-N 1 0 290.205 2.223 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N(C)Cc1ccc(OC)c(OC)c1 ZINC000061293985 519903521 /nfs/dbraw/zinc/90/35/21/519903521.db2.gz MISNUSOUKQSBHE-UHFFFAOYSA-N 1 0 294.395 2.050 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N1CCN(c2cccc(C)c2)CC1 ZINC000061287394 519904712 /nfs/dbraw/zinc/90/47/12/519904712.db2.gz NWDLJLIGXOUSCC-UHFFFAOYSA-N 1 0 289.423 2.032 10 0 CEAERO CCC[NH2+]C1CCN(C[C@H]2Cc3ccccc3O2)CC1 ZINC000051086780 519906545 /nfs/dbraw/zinc/90/65/45/519906545.db2.gz WDCANHTUOLIVLU-MRXNPFEDSA-N 1 0 274.408 2.454 10 0 CEAERO CC[NH2+]C1CCC(NC(=O)[C@@H](OC)c2ccccc2)CC1 ZINC000050437402 519909248 /nfs/dbraw/zinc/90/92/48/519909248.db2.gz XNYONAKLHMNAMJ-GPANFISMSA-N 1 0 290.407 2.411 10 0 CEAERO CCC[NH2+]CC1(CN2C[C@H](C)OC(C)(C)C2)CCOCC1 ZINC000052183146 519911089 /nfs/dbraw/zinc/91/10/89/519911089.db2.gz PVSJVYCTNBXGJS-HNNXBMFYSA-N 1 0 298.471 2.282 10 0 CEAERO CC[NH2+]CCC(=O)N[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000061292879 519917394 /nfs/dbraw/zinc/91/73/94/519917394.db2.gz QNXQHHLFADSAKK-UWVGGRQHSA-N 1 0 266.307 2.223 10 0 CEAERO CC[NH2+]CCC(=O)Nc1cc(Cl)ccc1-n1cccn1 ZINC000061293547 519917599 /nfs/dbraw/zinc/91/75/99/519917599.db2.gz DPKYYFUNKFYPBF-UHFFFAOYSA-N 1 0 292.770 2.464 10 0 CEAERO CC[NH2+]CCC(=O)Nc1ccccc1OC(C)C ZINC000061290146 519918531 /nfs/dbraw/zinc/91/85/31/519918531.db2.gz JTPIHZDQQLEBAI-UHFFFAOYSA-N 1 0 250.342 2.412 10 0 CEAERO CCC[NH2+]C[C@@H](C)N1CCN(c2cccc(OC)c2)CC1 ZINC000052423667 519920576 /nfs/dbraw/zinc/92/05/76/519920576.db2.gz UIDHXSFFTAACCS-OAHLLOKOSA-N 1 0 291.439 2.205 10 0 CEAERO CCC[NH2+]C[C@@H](C[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 ZINC000052951041 519921331 /nfs/dbraw/zinc/92/13/31/519921331.db2.gz PHGDTQUIPNMNST-MGPQQGTHSA-N 1 0 275.458 2.473 10 0 CEAERO CCC[NH2+]C[C@@H]1CCCN(c2ncnc3c2CCC3)C1 ZINC000061278306 519923090 /nfs/dbraw/zinc/92/30/90/519923090.db2.gz XYBICYPELRSTSC-ZDUSSCGKSA-N 1 0 274.412 2.181 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N(C)[C@H](C)c1ccccc1OC ZINC000061236199 519930873 /nfs/dbraw/zinc/93/08/73/519930873.db2.gz HPBDWAUIUDENJI-CHWSQXEVSA-N 1 0 278.396 2.460 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N1CCC[C@H]1Cc1ccccc1 ZINC000061235811 519933541 /nfs/dbraw/zinc/93/35/41/519933541.db2.gz ZYTOXGFHFSCCOF-ZBFHGGJFSA-N 1 0 274.408 2.466 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N1CCc2sccc2[C@@H]1C ZINC000061266338 519934625 /nfs/dbraw/zinc/93/46/25/519934625.db2.gz XQJUAHLPVGHCPE-MNOVXSKESA-N 1 0 266.410 2.439 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000061228621 519935949 /nfs/dbraw/zinc/93/59/49/519935949.db2.gz QKGPIKIHIQHGQD-SNVBAGLBSA-N 1 0 254.761 2.202 10 0 CEAERO CCC[NH2+]C[C@H]1CC[C@@H](COCc2ccco2)O1 ZINC000052601999 519937908 /nfs/dbraw/zinc/93/79/08/519937908.db2.gz UTSRWSVTFWAPEV-OCCSQVGLSA-N 1 0 253.342 2.343 10 0 CEAERO CCC[NH2+]Cc1c(N2CCCOCC2)nc2ccccn21 ZINC000061920360 519943052 /nfs/dbraw/zinc/94/30/52/519943052.db2.gz NTPHAFXDXJYGDB-UHFFFAOYSA-N 1 0 288.395 2.061 10 0 CEAERO CC[NH2+]C[C@@H](C)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000061219068 519944649 /nfs/dbraw/zinc/94/46/49/519944649.db2.gz INGNFUHWPBHEKT-SECBINFHSA-N 1 0 261.325 2.047 10 0 CEAERO CCC[NH2+]Cc1cc(C)ccc1OC[C@@H](O)COCC ZINC000069276256 519945055 /nfs/dbraw/zinc/94/50/55/519945055.db2.gz MSFGLTGQIZPIQB-HNNXBMFYSA-N 1 0 281.396 2.271 10 0 CEAERO CC[NH2+]C[C@@H](Cc1cnn(C)c1)Cc1ccccc1 ZINC000052952663 519945949 /nfs/dbraw/zinc/94/59/49/519945949.db2.gz GLFJLTFOAHGLCR-OAHLLOKOSA-N 1 0 257.381 2.431 10 0 CEAERO CC[NH2+]C[C@@H](Cc1nnnn1-c1ccccc1)CC(C)C ZINC000052968087 519946343 /nfs/dbraw/zinc/94/63/43/519946343.db2.gz CARJWADERHRTLT-CQSZACIVSA-N 1 0 287.411 2.477 10 0 CEAERO CC[NH2+]C[C@@H](O[C@H](C)COC)c1cccc(OC)c1 ZINC000070206062 519949645 /nfs/dbraw/zinc/94/96/45/519949645.db2.gz SMQVMRIJBSAMIS-IUODEOHRSA-N 1 0 267.369 2.397 10 0 CEAERO CCC[NH2+]Cc1ccc(CN2CCO[C@H](C)C2)cc1 ZINC000052382657 519950645 /nfs/dbraw/zinc/95/06/45/519950645.db2.gz IMYNGRKMIRCTNB-CQSZACIVSA-N 1 0 262.397 2.407 10 0 CEAERO CC[NH2+]C[C@@H]1CC[C@@H](CN(CC)CC(F)(F)F)O1 ZINC000052503162 519950860 /nfs/dbraw/zinc/95/08/60/519950860.db2.gz IQBOMBNNVCTUJO-QWRGUYRKSA-N 1 0 268.323 2.028 10 0 CEAERO CCC[NH2+]Cc1ccc(OC[C@@H](O)COC)c(Cl)c1 ZINC000069053727 519952808 /nfs/dbraw/zinc/95/28/08/519952808.db2.gz PNTIJNSDTZTTQB-LBPRGKRZSA-N 1 0 287.787 2.226 10 0 CEAERO CC[NH2+]C[C@H](C(C)C)N1CCN(c2ccccc2)CC1 ZINC000052417253 519957409 /nfs/dbraw/zinc/95/74/09/519957409.db2.gz VQUXTRSVFRJNLD-QGZVFWFLSA-N 1 0 275.440 2.443 10 0 CEAERO CC[NH2+]C[C@@]1(CCc2scnc2C)CCOC1 ZINC000054664270 519957809 /nfs/dbraw/zinc/95/78/09/519957809.db2.gz XMKDNXMMHCOYTH-CYBMUJFWSA-N 1 0 254.399 2.400 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000061234425 519960192 /nfs/dbraw/zinc/96/01/92/519960192.db2.gz FMNZOSXHPSQVOW-UWVGGRQHSA-N 1 0 266.307 2.033 10 0 CEAERO CC[NH2+]C[C@H]1CC[C@@H](COCCOc2ccccc2)O1 ZINC000052628532 519978865 /nfs/dbraw/zinc/97/88/65/519978865.db2.gz MTAXTPVBWQDBOM-CVEARBPZSA-N 1 0 279.380 2.239 10 0 CEAERO CC[NH2+]Cc1cc(Br)cnc1-n1ccc(C)n1 ZINC000052885178 519984847 /nfs/dbraw/zinc/98/48/47/519984847.db2.gz PFBSQHYRYQQULM-UHFFFAOYSA-N 1 0 295.184 2.448 10 0 CEAERO CC[NH2+]Cc1c2ccccc2oc1CN1CCN(C)CC1 ZINC000052379484 519985556 /nfs/dbraw/zinc/98/55/56/519985556.db2.gz GYVOKHSJAIKOCG-UHFFFAOYSA-N 1 0 287.407 2.290 10 0 CEAERO CCC[NH2+][C@@H](C)c1cccc(OC[C@@H](O)COC)c1 ZINC000069053574 519988436 /nfs/dbraw/zinc/98/84/36/519988436.db2.gz NZFNPWIPLBOBJK-JSGCOSHPSA-N 1 0 267.369 2.133 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccccc1NC(=O)[C@H]1COCCO1 ZINC000055297735 519990828 /nfs/dbraw/zinc/99/08/28/519990828.db2.gz IXXVXWZCGRKOFQ-SWLSCSKDSA-N 1 0 292.379 2.101 10 0 CEAERO CC[NH2+]Cc1ccc(OC)cc1OC1CCOCC1 ZINC000069289093 519997857 /nfs/dbraw/zinc/99/78/57/519997857.db2.gz HVZXJGAIZINGNW-UHFFFAOYSA-N 1 0 265.353 2.363 10 0 CEAERO CCCN[C@@H](CC[NH+]1CCC2(CCCCC2)CC1)C(N)=O ZINC000062532825 519998992 /nfs/dbraw/zinc/99/89/92/519998992.db2.gz NSJODUOZENSYKL-HNNXBMFYSA-N 1 0 295.471 2.276 10 0 CEAERO CCC[NH2+][C@@H](CCO[C@@H]1CCCC[C@@H]1CC)C(N)=O ZINC000062543221 520004838 /nfs/dbraw/zinc/00/48/38/520004838.db2.gz SSSZUNLAERNXGZ-MELADBBJSA-N 1 0 270.417 2.215 10 0 CEAERO CCC[NH2+][C@@H](CN(C)CC1CCOCC1)C1CC1 ZINC000069075839 520006592 /nfs/dbraw/zinc/00/65/92/520006592.db2.gz FGMMPEGKWCVISQ-HNNXBMFYSA-N 1 0 254.418 2.123 10 0 CEAERO CCC[NH2+][C@@H](CCSc1ccc(F)c(F)c1)C(N)=O ZINC000062596852 520007230 /nfs/dbraw/zinc/00/72/30/520007230.db2.gz ANBWOKYKSSEEOX-LBPRGKRZSA-N 1 0 288.363 2.301 10 0 CEAERO CC[NH2+]Cc1cccc(OCCOCCOCC)c1 ZINC000052604231 520007177 /nfs/dbraw/zinc/00/71/77/520007177.db2.gz UEJXHNSKSFJGSW-UHFFFAOYSA-N 1 0 267.369 2.228 10 0 CEAERO CC(C)n1cccc1C(=O)N1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000051358280 520012808 /nfs/dbraw/zinc/01/28/08/520012808.db2.gz OMEBYHWUDKJKPE-ZIAGYGMSSA-N 1 0 275.396 2.426 10 0 CEAERO CCC[NH2+][C@@H](c1ccc(OC)c(F)c1)[C@H]1COCCO1 ZINC000055300750 520018752 /nfs/dbraw/zinc/01/87/52/520018752.db2.gz TYDVZNGLUDXOHT-CABCVRRESA-N 1 0 283.343 2.290 10 0 CEAERO CCC[NH2+][C@@H]1CCN(Cc2ccc(C)s2)C1=O ZINC000050225593 520023243 /nfs/dbraw/zinc/02/32/43/520023243.db2.gz YCYFMDFGNDXHRS-GFCCVEGCSA-N 1 0 252.383 2.157 10 0 CEAERO CC[NH2+]Cc1nnnn1[C@@H](C)c1ccc(Cl)s1 ZINC000054747300 520026744 /nfs/dbraw/zinc/02/67/44/520026744.db2.gz LZXVZRXCQKHTNQ-ZETCQYMHSA-N 1 0 271.777 2.107 10 0 CEAERO CCCN[C@@](C)(C[N@H+](C)C(C)(C)CC)C(=O)OCC ZINC000069446585 520036638 /nfs/dbraw/zinc/03/66/38/520036638.db2.gz JBOYXKYBQFTZOX-HNNXBMFYSA-N 1 0 272.433 2.428 10 0 CEAERO CCC[NH2+][C@@](C)(C[C@@H](C)Oc1ccc(C)cc1)C(N)=O ZINC000068653552 520042135 /nfs/dbraw/zinc/04/21/35/520042135.db2.gz FCVHHJJSERNOLA-CJNGLKHVSA-N 1 0 278.396 2.396 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N(Cc1cccc(O)c1)C1CC1 ZINC000061272709 520061279 /nfs/dbraw/zinc/06/12/79/520061279.db2.gz KSPQONHAKUOIPZ-LBPRGKRZSA-N 1 0 276.380 2.271 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N1CCCc2cccc(OC)c21 ZINC000061272844 520061611 /nfs/dbraw/zinc/06/16/11/520061611.db2.gz SZHYDSXKWSRENM-LBPRGKRZSA-N 1 0 276.380 2.363 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)NCC(C)(C)c1ccccc1 ZINC000061272882 520063929 /nfs/dbraw/zinc/06/39/29/520063929.db2.gz DTGLMQAZWIVDEB-ZDUSSCGKSA-N 1 0 262.397 2.469 10 0 CEAERO CCC[NH2+][C@H](C)c1ccccc1Sc1n[nH]c(=O)n1C ZINC000061592958 520065772 /nfs/dbraw/zinc/06/57/72/520065772.db2.gz VBIULDUADSGBCD-SNVBAGLBSA-N 1 0 292.408 2.320 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N[C@H](C)c1ccc(OC)c(OC)c1 ZINC000061273434 520066651 /nfs/dbraw/zinc/06/66/51/520066651.db2.gz AVNANQHEARFQHT-NWDGAFQWSA-N 1 0 294.395 2.269 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N[C@H](C)c1cccc(NC(C)=O)c1 ZINC000061272848 520067462 /nfs/dbraw/zinc/06/74/62/520067462.db2.gz XJSLGSQYFRBCAH-NWDGAFQWSA-N 1 0 291.395 2.210 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1cccc(-n2cccn2)c1 ZINC000061270119 520069349 /nfs/dbraw/zinc/06/93/49/520069349.db2.gz LPZSRLWDCOFRDV-LBPRGKRZSA-N 1 0 272.352 2.199 10 0 CEAERO CC[NH2+][C@@H](C)CCc1ccc(OC[C@H](O)COC)cc1 ZINC000069053556 520071856 /nfs/dbraw/zinc/07/18/56/520071856.db2.gz PZAHZEPCEHXHBD-DZGCQCFKSA-N 1 0 281.396 2.003 10 0 CEAERO CC[NH2+][C@@H](C)Cc1nc(Cc2ccccc2OC)no1 ZINC000061213038 520072437 /nfs/dbraw/zinc/07/24/37/520072437.db2.gz XMGKAQFBCUHTTN-NSHDSACASA-N 1 0 275.352 2.210 10 0 CEAERO CCCN[C@H](CC[NH+]1CCC(C)CC1)C(=O)OCC ZINC000062439771 520074157 /nfs/dbraw/zinc/07/41/57/520074157.db2.gz MLSXHGQTXJATAK-CQSZACIVSA-N 1 0 270.417 2.040 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(F)cc1OCC(=O)NC(C)C ZINC000062747108 520074784 /nfs/dbraw/zinc/07/47/84/520074784.db2.gz MWMAYEIZOBNQCH-NSHDSACASA-N 1 0 282.359 2.400 10 0 CEAERO CCC[NH2+][C@H](CCSc1cccc(C)c1)C(N)=O ZINC000062601442 520079211 /nfs/dbraw/zinc/07/92/11/520079211.db2.gz LFGKZTRLPCGKMT-CYBMUJFWSA-N 1 0 266.410 2.331 10 0 CEAERO CCN(C(=O)c1ccc(NN)[nH+]c1)c1ccccc1C ZINC000051088812 520088534 /nfs/dbraw/zinc/08/85/34/520088534.db2.gz BEQLAZJBCGIYLC-UHFFFAOYSA-N 1 0 270.336 2.342 10 0 CEAERO CCC[NH2+][C@H](Cn1ncc(=O)c2ccccc21)C1CC1 ZINC000069077680 520089342 /nfs/dbraw/zinc/08/93/42/520089342.db2.gz AWMRKXAIHFIFNI-CQSZACIVSA-N 1 0 271.364 2.175 10 0 CEAERO CC[NH2+][C@@H](CN(CC(F)(F)F)C1CC1)C1CC1 ZINC000069074592 520096987 /nfs/dbraw/zinc/09/69/87/520096987.db2.gz CPKSRURORBPCOL-NSHDSACASA-N 1 0 250.308 2.401 10 0 CEAERO CCC[NH2+][C@H]1COc2cc(OCC(C)(C)O)ccc21 ZINC000062805116 520097379 /nfs/dbraw/zinc/09/73/79/520097379.db2.gz SOUXXCRVQBNSJL-ZDUSSCGKSA-N 1 0 265.353 2.269 10 0 CEAERO CC[NH2+][C@@H](CN1CCN(C)C1=O)c1ccc(CC)cc1 ZINC000052885553 520100583 /nfs/dbraw/zinc/10/05/83/520100583.db2.gz ZNTHCNJDRCSKBN-HNNXBMFYSA-N 1 0 275.396 2.267 10 0 CEAERO CCCCCCOCCn1cc(C[NH2+]C(C)C)nn1 ZINC000052631172 520101241 /nfs/dbraw/zinc/10/12/41/520101241.db2.gz HNLGYRALBFRQGE-UHFFFAOYSA-N 1 0 268.405 2.373 10 0 CEAERO CC[NH2+][C@@H](Cn1ccc(=O)cc1)c1cccc(OC)c1 ZINC000061627739 520108438 /nfs/dbraw/zinc/10/84/38/520108438.db2.gz BIWFQJIJSHULJK-INIZCTEOSA-N 1 0 272.348 2.208 10 0 CEAERO CCN(C(=O)c1cc[nH+]c(NN)c1)c1cccc(C)c1 ZINC000051094178 520110667 /nfs/dbraw/zinc/11/06/67/520110667.db2.gz KLSJIPYFRNYETG-UHFFFAOYSA-N 1 0 270.336 2.342 10 0 CEAERO CCN(C(=O)c1cc[nH+]c(NN)c1)c1ccccc1 ZINC000051121384 520110718 /nfs/dbraw/zinc/11/07/18/520110718.db2.gz RONHIKGCFOKNNR-UHFFFAOYSA-N 1 0 256.309 2.034 10 0 CEAERO CCN(C(=O)c1cc[nH+]c(NN)c1)c1ccc(F)cc1 ZINC000051094961 520110796 /nfs/dbraw/zinc/11/07/96/520110796.db2.gz CYQKHTWGLPLHNC-UHFFFAOYSA-N 1 0 274.299 2.173 10 0 CEAERO CC[NH2+][C@@H](c1ccc2c(c1)CC(C)(C)O2)[C@@H]1COCCO1 ZINC000055301490 520111805 /nfs/dbraw/zinc/11/18/05/520111805.db2.gz OPMFLBQWMZTBBL-HOTGVXAUSA-N 1 0 291.391 2.466 10 0 CEAERO CC[NH2+][C@@H](c1ccc2[nH]c(=O)oc2c1)C1CCOCC1 ZINC000061671911 520112853 /nfs/dbraw/zinc/11/28/53/520112853.db2.gz HOFTWMLKPGBMPI-CQSZACIVSA-N 1 0 276.336 2.198 10 0 CEAERO CC[NH2+][C@@H](c1ccccc1)[C@H](CC)S(C)(=O)=O ZINC000054930460 520113484 /nfs/dbraw/zinc/11/34/84/520113484.db2.gz OGFOVIKVKPADNO-STQMWFEESA-N 1 0 255.383 2.160 10 0 CEAERO CCCN[C@](C[N@H+](C)C(CC)CC)(C(=O)OC)C1CC1 ZINC000069099435 520116275 /nfs/dbraw/zinc/11/62/75/520116275.db2.gz RKDBUQDIEHXUIJ-INIZCTEOSA-N 1 0 284.444 2.428 10 0 CEAERO CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1[C@@H]1CCS(=O)(=O)C1 ZINC000054630909 520122548 /nfs/dbraw/zinc/12/25/48/520122548.db2.gz OELSDGSHRUZYRK-GBJTYRQASA-N 1 0 287.469 2.472 10 0 CEAERO CC[NH2+][C@@H]1COc2cc(OC[C@H](O)C(F)(F)F)ccc21 ZINC000068878111 520123926 /nfs/dbraw/zinc/12/39/26/520123926.db2.gz PBGADURAFSYLGL-PWSUYJOCSA-N 1 0 291.269 2.032 10 0 CEAERO CCC[NH2+][C@](COCCCC(C)C)(C(N)=O)C1CC1 ZINC000069195770 520124256 /nfs/dbraw/zinc/12/42/56/520124256.db2.gz VRXMCBPJZSJDBP-HNNXBMFYSA-N 1 0 270.417 2.073 10 0 CEAERO CCCCCC[C@H](C)OCC[C@H]([NH2+]C1CC1)C(N)=O ZINC000062542719 520131845 /nfs/dbraw/zinc/13/18/45/520131845.db2.gz GPIBLVBLZNCKBX-JSGCOSHPSA-N 1 0 270.417 2.358 10 0 CEAERO CCN[C@@](C[N@H+](C)[C@@H](C)C1CC1)(C(=O)OCC)C1CC1 ZINC000069099867 520148406 /nfs/dbraw/zinc/14/84/06/520148406.db2.gz REFXOIDLUJEMAG-BLLLJJGKSA-N 1 0 282.428 2.038 10 0 CEAERO CCN[C@@](C[NH+]1CCCCCC1)(C(=O)OCC)C1CC1 ZINC000069095158 520153952 /nfs/dbraw/zinc/15/39/52/520153952.db2.gz ASQXXSZLZPUEPK-MRXNPFEDSA-N 1 0 282.428 2.184 10 0 CEAERO CC[NH2+][C@@](CSCc1ccccc1C)(C(N)=O)C1CC1 ZINC000069189791 520158501 /nfs/dbraw/zinc/15/85/01/520158501.db2.gz JMNPVQFQBPMCNE-MRXNPFEDSA-N 1 0 292.448 2.472 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000061271940 520164654 /nfs/dbraw/zinc/16/46/54/520164654.db2.gz XHKWSCOPPSBXPH-GFCCVEGCSA-N 1 0 285.391 2.441 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000061273433 520166938 /nfs/dbraw/zinc/16/69/38/520166938.db2.gz AVNANQHEARFQHT-NEPJUHHUSA-N 1 0 294.395 2.269 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1ccc(N(CC)CC)nc1 ZINC000061270694 520169365 /nfs/dbraw/zinc/16/93/65/520169365.db2.gz AJQLTUAEOXXBLC-GFCCVEGCSA-N 1 0 278.400 2.254 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1ccc(-c2cc(=O)[nH][nH]2)cc1 ZINC000061270744 520169432 /nfs/dbraw/zinc/16/94/32/520169432.db2.gz HSPCULJGGWLUEI-SNVBAGLBSA-N 1 0 288.351 2.109 10 0 CEAERO CCCCC[N@H+](CC[C@H](N)C(=O)OCC)C(C)C ZINC000062463323 520174222 /nfs/dbraw/zinc/17/42/22/520174222.db2.gz IZTBROPSPPSOON-ZDUSSCGKSA-N 1 0 258.406 2.168 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(C)cc1OC[C@@H](O)COCC ZINC000069276323 520175837 /nfs/dbraw/zinc/17/58/37/520175837.db2.gz DRDMVNUEEXHREN-KGLIPLIRSA-N 1 0 281.396 2.442 10 0 CEAERO CC[NH2+][C@H](C)c1cc(F)ccc1Sc1n[nH]c(=O)n1C ZINC000061592938 520175966 /nfs/dbraw/zinc/17/59/66/520175966.db2.gz AQUJBPDOQBQTBK-MRVPVSSYSA-N 1 0 296.371 2.069 10 0 CEAERO CC[NH2+][C@H](CCOc1cccc(C(C)C)c1)C(N)=O ZINC000062548026 520193394 /nfs/dbraw/zinc/19/33/94/520193394.db2.gz SMJHFUGAIRZAFJ-CQSZACIVSA-N 1 0 264.369 2.042 10 0 CEAERO CC[NH2+][C@H](CC[C@H]1CCCCO1)Cc1ncc[nH]1 ZINC000069391986 520194643 /nfs/dbraw/zinc/19/46/43/520194643.db2.gz YFOPCKXYFYCWOY-CHWSQXEVSA-N 1 0 251.374 2.280 10 0 CEAERO CC[NH2+][C@H](c1ccc(OC)c(OC)c1)c1cnccc1N ZINC000070320309 520208425 /nfs/dbraw/zinc/20/84/25/520208425.db2.gz SMTVUGWAOLUDMT-MRXNPFEDSA-N 1 0 287.363 2.380 10 0 CEAERO CC[NH2+][C@H]1CCCC[C@@H]1S(=O)(=O)c1ccccc1 ZINC000061702651 520214568 /nfs/dbraw/zinc/21/45/68/520214568.db2.gz KTUAHBHUMDULOT-KBPBESRZSA-N 1 0 267.394 2.381 10 0 CEAERO CC[NH2+][C@](C)(C[C@@H](C)N(CC)c1cccc(C)c1)C(N)=O ZINC000068627769 520236384 /nfs/dbraw/zinc/23/63/84/520236384.db2.gz HTCNZISJEBXXMW-RHSMWYFYSA-N 1 0 291.439 2.453 10 0 CEAERO CC[NH2+][C@](C)(C[C@@H](C)Oc1cc(C)cc(C)c1)C(N)=O ZINC000068656139 520236631 /nfs/dbraw/zinc/23/66/31/520236631.db2.gz QELGDISZLDGWJW-CZUORRHYSA-N 1 0 278.396 2.314 10 0 CEAERO CCN[C@](C[N@H+](C)[C@@H](C)C(C)C)(C(=O)OCC)C1CC1 ZINC000069099640 520244181 /nfs/dbraw/zinc/24/41/81/520244181.db2.gz PYMVVJKZTSAMTE-BBRMVZONSA-N 1 0 284.444 2.284 10 0 CEAERO CCCO[C@@H]1CCCN(c2nc(C)c(C[NH3+])s2)C1 ZINC000055002266 520278306 /nfs/dbraw/zinc/27/83/06/520278306.db2.gz PGNOOQOJDGSPBF-LLVKDONJSA-N 1 0 269.414 2.306 10 0 CEAERO CCNc1ccccc1C(=O)N[C@H](C)CC[NH+](C)C ZINC000050788298 520339899 /nfs/dbraw/zinc/33/98/99/520339899.db2.gz PNIOZCZGFWUACQ-GFCCVEGCSA-N 1 0 263.385 2.188 10 0 CEAERO CC[N@@H+](CC(=O)Nc1cc(F)ccc1N)CC1CC1 ZINC000069237031 520354976 /nfs/dbraw/zinc/35/49/76/520354976.db2.gz POLWBRFBLZHBEU-UHFFFAOYSA-N 1 0 265.332 2.078 10 0 CEAERO CCCOc1ccc(O[C@@H](C)C[C@@](C)([NH2+]C)C(N)=O)cc1 ZINC000068657282 520410543 /nfs/dbraw/zinc/41/05/43/520410543.db2.gz YMIFXQBPNMQCTF-BLLLJJGKSA-N 1 0 294.395 2.096 10 0 CEAERO CCN(CC(F)(F)F)C(=O)[C@H]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000055137090 520419625 /nfs/dbraw/zinc/41/96/25/520419625.db2.gz BVRRYEVBNRIGCF-AEJSXWLSSA-N 1 0 266.307 2.161 10 0 CEAERO CCCOc1cccc(C(=O)N(C)C[C@@H](C)C[NH3+])c1 ZINC000061667244 520439346 /nfs/dbraw/zinc/43/93/46/520439346.db2.gz NQOHENYTOSMHTJ-LBPRGKRZSA-N 1 0 264.369 2.142 10 0 CEAERO CCCCN(CC)C(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000051092377 520472268 /nfs/dbraw/zinc/47/22/68/520472268.db2.gz FAXPZPJNIYAVNM-UHFFFAOYSA-N 1 0 270.764 2.283 10 0 CEAERO CCCOc1ccccc1NC(=O)C(C)(C)[NH2+]C ZINC000061300748 520477400 /nfs/dbraw/zinc/47/74/00/520477400.db2.gz HQBAABNBFMBCKV-UHFFFAOYSA-N 1 0 250.342 2.412 10 0 CEAERO CCCOc1ccccc1O[C@@H](C)C[C@](C)([NH2+]C)C(N)=O ZINC000068653978 520486612 /nfs/dbraw/zinc/48/66/12/520486612.db2.gz IYWUTPBLMKVOAA-LRDDRELGSA-N 1 0 294.395 2.096 10 0 CEAERO CCCC[NH+](CCCC)CC(=O)CC(=O)OCC ZINC000068813652 520494098 /nfs/dbraw/zinc/49/40/98/520494098.db2.gz UTQUOAPVZZANRX-UHFFFAOYSA-N 1 0 257.374 2.411 10 0 CEAERO CCCC[NH+](CCCC)CC[C@H](N)C(=O)OCC ZINC000062444534 520494772 /nfs/dbraw/zinc/49/47/72/520494772.db2.gz BUMQLOOYVNGDCD-ZDUSSCGKSA-N 1 0 258.406 2.169 10 0 CEAERO CCCC[NH+](CCCC)C[C@@](NCC)(C(N)=O)C1CC1 ZINC000069096512 520495616 /nfs/dbraw/zinc/49/56/16/520495616.db2.gz WUPIHLNLZZFZBM-INIZCTEOSA-N 1 0 283.460 2.132 10 0 CEAERO CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1[NH2+]Cc1cnn(CCO)c1 ZINC000068692141 520639813 /nfs/dbraw/zinc/63/98/13/520639813.db2.gz KUUIBOQXJJMYFP-FMKPAKJESA-N 1 0 277.412 2.180 10 0 CEAERO CCC[C@@H](C)[N@H+](C)C[C@](NC(C)C)(C(=O)OC)C1CC1 ZINC000069100228 520646462 /nfs/dbraw/zinc/64/64/62/520646462.db2.gz QQSHAAQXPGEISR-CZUORRHYSA-N 1 0 284.444 2.427 10 0 CEAERO CCCCOC(=O)Cn1ccnc1C[NH2+]C(C)(C)C ZINC000051015343 520716302 /nfs/dbraw/zinc/71/63/02/520716302.db2.gz OSTMKWKIXBHMGY-UHFFFAOYSA-N 1 0 267.373 2.115 10 0 CEAERO CC[NH+](CC)C[C@H](C)N1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054601190 520726552 /nfs/dbraw/zinc/72/65/52/520726552.db2.gz RKCODIRENLERGZ-MELADBBJSA-N 1 0 252.402 2.303 10 0 CEAERO CCC[C@@H]([NH2+][C@H]1CCS(=O)(=O)C1)c1cccs1 ZINC000049543772 520794673 /nfs/dbraw/zinc/79/46/73/520794673.db2.gz KQAADKAFYCAOJF-WDEREUQCSA-N 1 0 273.423 2.366 10 0 CEAERO CCC[C@@H]1CC[C@@H](O)[C@H]([N@@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000061652571 520829117 /nfs/dbraw/zinc/82/91/17/520829117.db2.gz QYVNDUGZSAPXJK-KLHDSHLOSA-N 1 0 268.445 2.342 10 0 CEAERO CCC[C@@H]1CN(C[C@@H]2CCCCO2)C(C)(C)C[NH2+]1 ZINC000068701773 520837468 /nfs/dbraw/zinc/83/74/68/520837468.db2.gz ZNTFWFPZGOFQIE-KGLIPLIRSA-N 1 0 254.418 2.408 10 0 CEAERO CCC[C@@H]1CN(CCn2cccn2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000068702520 520837609 /nfs/dbraw/zinc/83/76/09/520837609.db2.gz OJFUTJNNXSMMMK-HZPDHXFCSA-N 1 0 276.428 2.126 10 0 CEAERO CC[NH+](CC)[C@@H]1CCN(c2c(F)cc(N)cc2F)C1 ZINC000062975795 520849524 /nfs/dbraw/zinc/84/95/24/520849524.db2.gz UKZNALARISPZSD-LLVKDONJSA-N 1 0 269.339 2.468 10 0 CEAERO CCOC(=O)C[C@@]1([NH+]2CCOCC2)CC[C@H](C)C[C@@H]1C ZINC000068633906 520860750 /nfs/dbraw/zinc/86/07/50/520860750.db2.gz HNVYSZJPBMCNBC-DZKIICNBSA-N 1 0 283.412 2.467 10 0 CEAERO CCC[C@@](C)(CCS(=O)(=O)CC)C[NH2+]C1CC1 ZINC000054657138 520909837 /nfs/dbraw/zinc/90/98/37/520909837.db2.gz OULCTXRRXHAZOE-ZDUSSCGKSA-N 1 0 261.431 2.370 10 0 CEAERO CC1CCC(CO)([NH2+]C[C@@H](O)c2cccs2)CC1 ZINC000053118388 520926384 /nfs/dbraw/zinc/92/63/84/520926384.db2.gz TYWZAXAANLURFL-MBHSVXNSSA-N 1 0 269.410 2.312 10 0 CEAERO CCOc1ccc(C(C)=O)cc1CN1[C@@H](C)C[NH2+]C[C@@H]1C ZINC000069134491 520926781 /nfs/dbraw/zinc/92/67/81/520926781.db2.gz YPKXSKKPVJITIW-STQMWFEESA-N 1 0 290.407 2.470 10 0 CEAERO CC1CCC(NC(=O)[C@@H]2CCC[C@@H](C)[C@@H]2[NH3+])CC1 ZINC000055124495 520949942 /nfs/dbraw/zinc/94/99/42/520949942.db2.gz MKIZLLRDJKFUFJ-ZFKITPQFSA-N 1 0 252.402 2.445 10 0 CEAERO CCN(CC1CC1)[C@H](C[NH3+])c1cccc(OC)c1OC ZINC000069237395 520966070 /nfs/dbraw/zinc/96/60/70/520966070.db2.gz KYKYLKJKEHSMEO-CQSZACIVSA-N 1 0 278.396 2.436 10 0 CEAERO CCOC(=O)[C@@H](C)C[NH2+]Cc1ccc(F)cc1F ZINC000051017235 521004592 /nfs/dbraw/zinc/00/45/92/521004592.db2.gz GAFZCZSLOXOAAL-VIFPVBQESA-N 1 0 257.280 2.254 10 0 CEAERO CCOC(=O)[C@@H](N)CC[NH+]1CCC2(CCCCC2)CC1 ZINC000062532935 521068887 /nfs/dbraw/zinc/06/88/87/521068887.db2.gz ZROCYMBTEFUMFB-AWEZNQCLSA-N 1 0 282.428 2.313 10 0 CEAERO CCN(CC[NH2+]C[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000053426718 521077721 /nfs/dbraw/zinc/07/77/21/521077721.db2.gz VTMVWUOVRGSNEV-HNNXBMFYSA-N 1 0 266.360 2.421 10 0 CEAERO CCOC(=O)[C@@](C)(CC[N@H+](CC)CC1CC1)NC1CC1 ZINC000069239508 521145265 /nfs/dbraw/zinc/14/52/65/521145265.db2.gz WHZJAYAWXWKSNV-MRXNPFEDSA-N 1 0 282.428 2.182 10 0 CEAERO CCOC(=O)[C@@](C)(C[C@@H](C)[N@@H+]1CCC[C@@H]1C)NC1CC1 ZINC000068615198 521151336 /nfs/dbraw/zinc/15/13/36/521151336.db2.gz IXRKDDGQOYEVDW-WOSRLPQWSA-N 1 0 282.428 2.323 10 0 CEAERO CCN(C[C@@H](C)C[NH3+])C(=O)c1cc(C)ccc1F ZINC000052980558 521201671 /nfs/dbraw/zinc/20/16/71/521201671.db2.gz FARRHELTJQCNSF-NSHDSACASA-N 1 0 252.333 2.191 10 0 CEAERO CCOc1ccc([C@H]([NH3+])c2cnccn2)cc1OCC ZINC000055222708 521263403 /nfs/dbraw/zinc/26/34/03/521263403.db2.gz QAMYKRLBJOYZCC-HNNXBMFYSA-N 1 0 273.336 2.322 10 0 CEAERO CCC[C@]1(C(=O)NCc2cccc(F)c2)CC[NH2+]C1 ZINC000062890062 521298514 /nfs/dbraw/zinc/29/85/14/521298514.db2.gz ONOQTIBUPNTFKJ-HNNXBMFYSA-N 1 0 264.344 2.222 10 0 CEAERO CCC[C@]1(C(=O)Nc2c(C)nn(C)c2C)CCC[NH2+]C1 ZINC000062859530 521300472 /nfs/dbraw/zinc/30/04/72/521300472.db2.gz WRLBSXSVQVYNKN-HNNXBMFYSA-N 1 0 278.400 2.145 10 0 CEAERO CCC(C)(C)[N@H+](C)CC[C@@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000069443394 521305312 /nfs/dbraw/zinc/30/53/12/521305312.db2.gz LNFGLIIABUDKHQ-CQSZACIVSA-N 1 0 256.390 2.092 10 0 CEAERO CCOC(=O)[C@](C[N@H+](C)C(CC)CC)(NC)C1CC1 ZINC000069099506 521336647 /nfs/dbraw/zinc/33/66/47/521336647.db2.gz JABFGHXJKGOWQT-OAHLLOKOSA-N 1 0 270.417 2.038 10 0 CEAERO CCOC(=O)[C@](C[N@H+](CC)CC1CC1)(NC(C)C)C1CC1 ZINC000069239581 521340108 /nfs/dbraw/zinc/34/01/08/521340108.db2.gz AGDAZKJXOFYSBS-QGZVFWFLSA-N 1 0 296.455 2.428 10 0 CEAERO CCCc1cc(NN)[nH+]c(Cc2nc(C)cs2)n1 ZINC000055269861 521382282 /nfs/dbraw/zinc/38/22/82/521382282.db2.gz IXQCSEMTCUYULM-UHFFFAOYSA-N 1 0 263.370 2.070 10 0 CEAERO CCOc1cccc(OCc2ccc[nH+]c2NN)c1 ZINC000052730665 521403588 /nfs/dbraw/zinc/40/35/88/521403588.db2.gz CXXHWICVSVILCF-UHFFFAOYSA-N 1 0 259.309 2.345 10 0 CEAERO CCC(CC)(C[NH3+])N(C)S(=O)(=O)C1CCCCC1 ZINC000050093691 521427060 /nfs/dbraw/zinc/42/70/60/521427060.db2.gz KDNKFHBJPSGNEX-UHFFFAOYSA-N 1 0 276.446 2.098 10 0 CEAERO CCOc1cccc([C@H]2[C@H]([NH3+])CCCC(=O)N2CC)c1 ZINC000070294910 521427231 /nfs/dbraw/zinc/42/72/31/521427231.db2.gz WJYPBRRYASRZOF-ZBFHGGJFSA-N 1 0 276.380 2.486 10 0 CEAERO CCCN(C(=O)[C@H](OC)c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000050437479 521438724 /nfs/dbraw/zinc/43/87/24/521438724.db2.gz AHRTYKPRBJYXIC-JKSUJKDBSA-N 1 0 290.407 2.365 10 0 CEAERO CCN(Cc1nccn1CC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000054743830 521461929 /nfs/dbraw/zinc/46/19/29/521461929.db2.gz KXNDJKLGLPUJTF-PBWFPOADSA-N 1 0 262.401 2.008 10 0 CEAERO CCN(c1c(C[NH2+]CC(C)C)c(C)nn1C)C1CC1 ZINC000062735081 521476363 /nfs/dbraw/zinc/47/63/63/521476363.db2.gz XOYSDWQAZLHKHH-UHFFFAOYSA-N 1 0 264.417 2.463 10 0 CEAERO CCOC(=O)c1ccc(N[C@H]2CCCCC[C@@H]2[NH3+])nc1 ZINC000063214866 521523032 /nfs/dbraw/zinc/52/30/32/521523032.db2.gz QGLIXZQHIOHNFN-STQMWFEESA-N 1 0 277.368 2.330 10 0 CEAERO CCCc1nc(N2CCO[C@@H](CC)C2)sc1C[NH3+] ZINC000054997383 521534727 /nfs/dbraw/zinc/53/47/27/521534727.db2.gz XTAPUMVLHOILBQ-JTQLQIEISA-N 1 0 269.414 2.170 10 0 CEAERO CC[NH+]1CCC(Cn2cnc3cc(N)ccc32)CC1 ZINC000052854796 521553498 /nfs/dbraw/zinc/55/34/98/521553498.db2.gz JXHOHJKNUDCLKW-UHFFFAOYSA-N 1 0 258.369 2.350 10 0 CEAERO CCC(CC)N(CCOC)C(=O)[C@@H]1CCC[C@H](C[NH3+])C1 ZINC000055161239 521556641 /nfs/dbraw/zinc/55/66/41/521556641.db2.gz ZYOVWVQWZRYTEC-UONOGXRCSA-N 1 0 284.444 2.415 10 0 CEAERO CCOc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000069140952 521573337 /nfs/dbraw/zinc/57/33/37/521573337.db2.gz WIRFUZLGRZRLLD-CHWSQXEVSA-N 1 0 297.420 2.313 10 0 CEAERO CCC(CC)n1ccc(CN2CC[NH2+]C[C@H]2C2CC2)n1 ZINC000068695910 521639354 /nfs/dbraw/zinc/63/93/54/521639354.db2.gz IHFJCZYFCPTCDA-INIZCTEOSA-N 1 0 276.428 2.428 10 0 CEAERO CCS(=O)(=O)CC[C@@H](C[NH2+]C(C)(C)C)C(C)C ZINC000052972683 521645230 /nfs/dbraw/zinc/64/52/30/521645230.db2.gz WFUGOTDZWDXLDA-LBPRGKRZSA-N 1 0 263.447 2.472 10 0 CEAERO CCOC1CCN(c2nc3c(s2)[C@H]([NH3+])CCC3)CC1 ZINC000054896426 521657830 /nfs/dbraw/zinc/65/78/30/521657830.db2.gz XFONWCBXLLKIBT-LLVKDONJSA-N 1 0 281.425 2.485 10 0 CEAERO CCCn1cccc1C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000063192779 521658613 /nfs/dbraw/zinc/65/86/13/521658613.db2.gz SQJBOEGWQTUGMH-STQMWFEESA-N 1 0 263.385 2.240 10 0 CEAERO CCCn1cccc1C(=O)N[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000063210864 521658845 /nfs/dbraw/zinc/65/88/45/521658845.db2.gz XUWYOCHXYSKLSI-QWHCGFSZSA-N 1 0 263.385 2.288 10 0 CEAERO CCC1(CC)CC(=O)N([C@H]2CCCCC[C@H]2[NH3+])C1=O ZINC000063214950 521683836 /nfs/dbraw/zinc/68/38/36/521683836.db2.gz XKVMELNAJXMZHS-NEPJUHHUSA-N 1 0 266.385 2.212 10 0 CEAERO CCC1(CC)CN(Cc2cn3ccccc3n2)CC[NH2+]1 ZINC000068693192 521690401 /nfs/dbraw/zinc/69/04/01/521690401.db2.gz DCPMGBPAOFOQBX-UHFFFAOYSA-N 1 0 272.396 2.298 10 0 CEAERO CCNC(=O)CCOc1c(C)cc(C[C@@H]([NH3+])CC)cc1C ZINC000051761894 521735930 /nfs/dbraw/zinc/73/59/30/521735930.db2.gz RILMMDHEYPGBGB-HNNXBMFYSA-N 1 0 292.423 2.488 10 0 CEAERO CC[C@H](C)SC[C@@]([NH2+]C)(C(N)=O)c1ccccc1 ZINC000045553948 521783740 /nfs/dbraw/zinc/78/37/40/521783740.db2.gz MEYNAVUHDHCSEE-FZMZJTMJSA-N 1 0 266.410 2.118 10 0 CEAERO C[NH+](C)C[C@@H](NC(=O)c1cscn1)c1ccccc1 ZINC000062663114 521825729 /nfs/dbraw/zinc/82/57/29/521825729.db2.gz MDHCCCHVWSXLEU-GFCCVEGCSA-N 1 0 275.377 2.176 10 0 CEAERO CN(C)C[C@@H]1CCC[N@@H+]1Cc1ccc(N)c2cccnc12 ZINC000061641839 521840949 /nfs/dbraw/zinc/84/09/49/521840949.db2.gz JXNKXQVFUMOLGA-AWEZNQCLSA-N 1 0 284.407 2.343 10 0 CEAERO CN(C)C[C@H]1CCC[N@@H+]1[C@@H](CC(N)=S)c1ccccc1 ZINC000061644341 521872411 /nfs/dbraw/zinc/87/24/11/521872411.db2.gz YZXBNVHLJFGPQJ-CABCVRRESA-N 1 0 291.464 2.430 10 0 CEAERO CCc1ccccc1NC(=O)c1ccc(NN)[nH+]c1 ZINC000051112169 521905628 /nfs/dbraw/zinc/90/56/28/521905628.db2.gz LQJAMRVJGQYZQW-UHFFFAOYSA-N 1 0 256.309 2.182 10 0 CEAERO CNC(=O)c1ccn(-c2ccc(C[NH2+]C(C)C)cc2C)n1 ZINC000070328483 521924069 /nfs/dbraw/zinc/92/40/69/521924069.db2.gz FHERNVUDMRDJSU-UHFFFAOYSA-N 1 0 286.379 2.038 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000061316891 521933949 /nfs/dbraw/zinc/93/39/49/521933949.db2.gz WTEAJECILYLRIH-SNVBAGLBSA-N 1 0 252.383 2.410 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000061317620 521934624 /nfs/dbraw/zinc/93/46/24/521934624.db2.gz FOJWHCOQQXUWHV-CYBMUJFWSA-N 1 0 296.798 2.238 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N[C@H](c1ccc(OC)cc1)C1CC1 ZINC000061318677 521939219 /nfs/dbraw/zinc/93/92/19/521939219.db2.gz RKHISAYKJIZWIE-AWEZNQCLSA-N 1 0 276.380 2.261 10 0 CEAERO COCC[C@H]([NH3+])C(=O)N[C@H](C)c1ccc(CC(C)C)cc1 ZINC000052792005 521945460 /nfs/dbraw/zinc/94/54/60/521945460.db2.gz HRIAFONVFXNPLV-CJNGLKHVSA-N 1 0 292.423 2.426 10 0 CEAERO CCc1ccccc1[C@H](C[NH3+])N(C)C[C@@H]1CCCO1 ZINC000052203707 521952164 /nfs/dbraw/zinc/95/21/64/521952164.db2.gz FKXISJBXLFHBTJ-HOCLYGCPSA-N 1 0 262.397 2.360 10 0 CEAERO COCC[C@H]([NH3+])c1nc(-c2ccc(F)c(F)c2)c[nH]1 ZINC000052811251 521952184 /nfs/dbraw/zinc/95/21/84/521952184.db2.gz KUHPJGICQHKWIH-NSHDSACASA-N 1 0 267.279 2.391 10 0 CEAERO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2c1cc(OC)cc(OC)c1 ZINC000054627436 521957031 /nfs/dbraw/zinc/95/70/31/521957031.db2.gz XAKUQDLABCCMLA-YHWZYXNKSA-N 1 0 276.380 2.423 10 0 CEAERO C[NH2+]CC1(CN2c3ccccc3C[C@H]2C)CCOCC1 ZINC000052180996 521972226 /nfs/dbraw/zinc/97/22/26/521972226.db2.gz PDVOOCOFHKIKLG-CQSZACIVSA-N 1 0 274.408 2.454 10 0 CEAERO C[NH2+]CCCCCOc1c(OC)cccc1OC ZINC000052650182 521994505 /nfs/dbraw/zinc/99/45/05/521994505.db2.gz PBBZVKFOOHUOGO-UHFFFAOYSA-N 1 0 253.342 2.472 10 0 CEAERO C[NH2+]CC[C@H]1CCCCN1C(=O)c1ccc2c(c1)CCO2 ZINC000070191382 522018470 /nfs/dbraw/zinc/01/84/70/522018470.db2.gz RCARHMMTWQNIBI-OAHLLOKOSA-N 1 0 288.391 2.226 10 0 CEAERO C[NH2+]CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000070192311 522019049 /nfs/dbraw/zinc/01/90/49/522019049.db2.gz DYIKZHOWJGZZRM-CQSZACIVSA-N 1 0 296.436 2.148 10 0 CEAERO C[NH2+]C[C@H](C)c1c(C)nc(N2CCCCC2)nc1C ZINC000054854720 522072828 /nfs/dbraw/zinc/07/28/28/522072828.db2.gz LQGBPJDRRGLODY-NSHDSACASA-N 1 0 262.401 2.407 10 0 CEAERO C[NH2+]C[C@H](OC[C@@H]1CCOC1)c1ccc(OC)cc1 ZINC000050501224 522075853 /nfs/dbraw/zinc/07/58/53/522075853.db2.gz FTWIIUCWTYZYSL-DOMZBBRYSA-N 1 0 265.353 2.009 10 0 CEAERO C[NH2+]C[C@H]1OCCN(C2CC2)[C@@H]1c1ccc(F)c(C)c1 ZINC000070289332 522097900 /nfs/dbraw/zinc/09/79/00/522097900.db2.gz GGWXGXLODHOAQQ-HZPDHXFCSA-N 1 0 278.371 2.258 10 0 CEAERO C[NH2+]Cc1c(C)nn(C)c1N1CCC[C@H](C)[C@@H]1C ZINC000050566043 522100572 /nfs/dbraw/zinc/10/05/72/522100572.db2.gz JURXGOIPVMLGJH-JQWIXIFHSA-N 1 0 250.390 2.073 10 0 CEAERO C[NH2+]Cc1c(C)nn(-c2ccccc2)c1-n1ccc(C)n1 ZINC000052884784 522101469 /nfs/dbraw/zinc/10/14/69/522101469.db2.gz IJHHYRYUEMLNII-UHFFFAOYSA-N 1 0 281.363 2.394 10 0 CEAERO C[NH2+]Cc1cc(CN2c3ccccc3C[C@H]2C)on1 ZINC000052418331 522112140 /nfs/dbraw/zinc/11/21/40/522112140.db2.gz ZCKUMBUGEXWMPG-LLVKDONJSA-N 1 0 257.337 2.345 10 0 CEAERO C[NH2+]Cc1ccc(OCCOC)c(Br)c1 ZINC000062700951 522121465 /nfs/dbraw/zinc/12/14/65/522121465.db2.gz DYXFNFFFSDGUHX-UHFFFAOYSA-N 1 0 274.158 2.194 10 0 CEAERO C[NH2+]Cc1ccnc(N(C)Cc2ccccc2OC)c1 ZINC000051486864 522140043 /nfs/dbraw/zinc/14/00/43/522140043.db2.gz ONCWXKGDHXEIIW-UHFFFAOYSA-N 1 0 271.364 2.446 10 0 CEAERO C[NH2+]Cc1nc(CN2C[C@@H](C)C[C@H](C)C2)cs1 ZINC000052420412 522150890 /nfs/dbraw/zinc/15/08/90/522150890.db2.gz FNUWKYHNQVHJJY-QWRGUYRKSA-N 1 0 253.415 2.340 10 0 CEAERO CC[C@H](C[NH2+]C)n1nc(C)c(Br)c1C ZINC000052573804 522191635 /nfs/dbraw/zinc/19/16/35/522191635.db2.gz ZNZLWLKZJHJZKV-SECBINFHSA-N 1 0 260.179 2.433 10 0 CEAERO CN(C)c1ccc(NC(=O)[C@@H](C[NH3+])c2ccccc2)cc1 ZINC000061611559 522230497 /nfs/dbraw/zinc/23/04/97/522230497.db2.gz LMFFVICHKVSQCQ-INIZCTEOSA-N 1 0 283.375 2.434 10 0 CEAERO CC[C@@H](C)[NH2+][C@]1(C(N)=O)CCCc2sccc21 ZINC000061329942 522234473 /nfs/dbraw/zinc/23/44/73/522234473.db2.gz ODGDOADINUSIFM-NOZJJQNGSA-N 1 0 252.383 2.153 10 0 CEAERO CC[C@@H](C)Oc1cccc(NC(=O)[C@H]([NH3+])CCOC)c1 ZINC000052810464 522271207 /nfs/dbraw/zinc/27/12/07/522271207.db2.gz MGXSEVWGJJSAEK-BXUZGUMPSA-N 1 0 280.368 2.166 10 0 CEAERO CN(C)c1ccccc1NC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000061611776 522297311 /nfs/dbraw/zinc/29/73/11/522297311.db2.gz MICNJRQBDBVMGE-CQSZACIVSA-N 1 0 283.375 2.434 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(F)cc1OCc1ncon1 ZINC000062746222 522331686 /nfs/dbraw/zinc/33/16/86/522331686.db2.gz JVQHRGYGHHEWJK-QMMMGPOBSA-N 1 0 251.261 2.068 10 0 CEAERO CC[C@H]([NH3+])Cc1c(C)nn(Cc2cccnc2)c1C ZINC000062803309 522333028 /nfs/dbraw/zinc/33/30/28/522333028.db2.gz OPLKDOFJZLXAFR-AWEZNQCLSA-N 1 0 258.369 2.223 10 0 CEAERO CC[C@H]([NH3+])Cc1cccc(OCc2nonc2C)c1 ZINC000070269276 522334556 /nfs/dbraw/zinc/33/45/56/522334556.db2.gz LELQUNOXFADKDD-LBPRGKRZSA-N 1 0 261.325 2.237 10 0 CEAERO CC[C@H]([NH3+])Cc1cnc(Cc2ccc(OC)cc2)nc1 ZINC000054858154 522335688 /nfs/dbraw/zinc/33/56/88/522335688.db2.gz YRDAVUVUQIVKOW-AWEZNQCLSA-N 1 0 271.364 2.356 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C1CC1)C(C)(C)C ZINC000061594616 522338857 /nfs/dbraw/zinc/33/88/57/522338857.db2.gz FZYJAKUIKCAAJQ-VHSXEESVSA-N 1 0 284.429 2.150 10 0 CEAERO C[NH2+][C@@H](C)c1nnn(-c2ccccc2COC)c1C ZINC000049511487 522341116 /nfs/dbraw/zinc/34/11/16/522341116.db2.gz PDZGMFTZGSEJES-JTQLQIEISA-N 1 0 260.341 2.003 10 0 CEAERO CC[C@H]([NH3+])[C@@](O)(c1cc(F)ccc1F)C(F)(F)F ZINC000062784619 522341826 /nfs/dbraw/zinc/34/18/26/522341826.db2.gz XPKNWYGKCRXJBP-UWVGGRQHSA-N 1 0 269.213 2.452 10 0 CEAERO C[NH2+][C@@H](CCCS(C)(=O)=O)Cc1ccc(Cl)cc1 ZINC000063016930 522344093 /nfs/dbraw/zinc/34/40/93/522344093.db2.gz PJHFFPJXQGURNM-ZDUSSCGKSA-N 1 0 289.828 2.295 10 0 CEAERO CC[C@H]([NH3+])[C@](O)(c1ccc(F)cc1F)C(F)(F)F ZINC000062784611 522345713 /nfs/dbraw/zinc/34/57/13/522345713.db2.gz JUYQBSSLNYTEQL-VHSXEESVSA-N 1 0 269.213 2.452 10 0 CEAERO C[NH2+][C@@H](COC1CCC1)c1ccc2c(c1)OCCO2 ZINC000050520071 522355091 /nfs/dbraw/zinc/35/50/91/522355091.db2.gz WYMJHCVLDBMELV-ZDUSSCGKSA-N 1 0 263.337 2.287 10 0 CEAERO C[NH2+][C@@H]1COc2cc(OCc3nc(C(C)C)no3)ccc21 ZINC000062804028 522401245 /nfs/dbraw/zinc/40/12/45/522401245.db2.gz JBJJRXMXTBKCKD-GFCCVEGCSA-N 1 0 289.335 2.425 10 0 CEAERO COC[C@@H](O)COc1c(C)cc(C[NH2+]CC(C)C)cc1C ZINC000069053840 522426525 /nfs/dbraw/zinc/42/65/25/522426525.db2.gz WWPWQBBTISTANH-MRXNPFEDSA-N 1 0 295.423 2.435 10 0 CEAERO C[NH2+][C@H](C)c1ccc(F)cc1OCc1nnc(C)o1 ZINC000062746228 522446772 /nfs/dbraw/zinc/44/67/72/522446772.db2.gz RXYGDVJEZGXLQU-MRVPVSSYSA-N 1 0 265.288 2.377 10 0 CEAERO COc1cc(C[NH2+]C[C@@H](C)CSC)cc(OC)c1O ZINC000069434729 522456324 /nfs/dbraw/zinc/45/63/24/522456324.db2.gz COCKCYQEKQAPFH-SNVBAGLBSA-N 1 0 285.409 2.498 10 0 CEAERO C[NH2+][C@H](C[C@@H]1CCCO1)c1ccc2c(c1)OCCO2 ZINC000055223556 522470411 /nfs/dbraw/zinc/47/04/11/522470411.db2.gz KMDVCPZUNLURDW-QWHCGFSZSA-N 1 0 263.337 2.287 10 0 CEAERO C[NH2+][C@H](Cc1cc(F)cc(F)c1)c1ccnn1C ZINC000069467614 522473171 /nfs/dbraw/zinc/47/31/71/522473171.db2.gz VKKTXRMFHWVXKK-GFCCVEGCSA-N 1 0 251.280 2.202 10 0 CEAERO C[NH2+][C@H](Cn1ccc(=O)cc1)c1cc(C)ccc1OC ZINC000061627804 522476175 /nfs/dbraw/zinc/47/61/75/522476175.db2.gz WJCVTQGIAPVGSY-OAHLLOKOSA-N 1 0 272.348 2.126 10 0 CEAERO C[NH2+][C@H](Cn1ncccc1=O)c1cccc(C(F)(F)F)c1 ZINC000061402648 522477629 /nfs/dbraw/zinc/47/76/29/522477629.db2.gz FGZXEWKTNYPXSV-GFCCVEGCSA-N 1 0 297.280 2.223 10 0 CEAERO COc1cc(C[NH2+][C@H](CN(C)C)C(C)C)ccc1O ZINC000049195047 522485907 /nfs/dbraw/zinc/48/59/07/522485907.db2.gz GZUIGSXVMCZNEQ-CYBMUJFWSA-N 1 0 266.385 2.077 10 0 CEAERO C[NH2+][C@H]1CC(C)(C)Oc2cc(OCCC(=O)OC)ccc21 ZINC000069317353 522488854 /nfs/dbraw/zinc/48/88/54/522488854.db2.gz LCMOOFGDUAEVJY-ZDUSSCGKSA-N 1 0 293.363 2.450 10 0 CEAERO COc1cc(C[NH2+][C@H]2C[C@@H]2C)cc(OC)c1OC ZINC000052269321 522489396 /nfs/dbraw/zinc/48/93/96/522489396.db2.gz XFPVHDBEATUEKC-ONGXEEELSA-N 1 0 251.326 2.210 10 0 CEAERO CCc1nc2ccccc2n1Cc1ccc(NN)[nH+]c1 ZINC000062808107 522503527 /nfs/dbraw/zinc/50/35/27/522503527.db2.gz OQSZSSXXPDELHW-UHFFFAOYSA-N 1 0 267.336 2.328 10 0 CEAERO C[NH2+][C@H]1CCc2c1cccc2OCc1noc(C)n1 ZINC000062799050 522505181 /nfs/dbraw/zinc/50/51/81/522505181.db2.gz QGAIHXIVCYNJFY-LBPRGKRZSA-N 1 0 259.309 2.164 10 0 CEAERO C[NH2+][C@H]1c2ccccc2CC[C@@H]1Cc1cnn(C)c1 ZINC000050540809 522509432 /nfs/dbraw/zinc/50/94/32/522509432.db2.gz GZOBSTQLHGWVCZ-GDBMZVCRSA-N 1 0 255.365 2.486 10 0 CEAERO CN(CC(C)(C)C[NH3+])c1ccc(OC(F)F)cn1 ZINC000262145718 522547827 /nfs/dbraw/zinc/54/78/27/522547827.db2.gz FJSXXUANTNDZBJ-UHFFFAOYSA-N 1 0 259.300 2.104 10 0 CEAERO COC[C@H](C)[N@H+](C)C[C@@H]1C[C@@H](C(C)C)CC[C@@H]1O ZINC000054561299 522592983 /nfs/dbraw/zinc/59/29/83/522592983.db2.gz TZTMIHYDNCDVOI-AJNGGQMLSA-N 1 0 257.418 2.386 10 0 CEAERO CN(CC(N)=O)c1cccc(Cl)c1C[NH2+]C(C)(C)C ZINC000062735624 522587951 /nfs/dbraw/zinc/58/79/51/522587951.db2.gz HBAPGRHYNNXPII-UHFFFAOYSA-N 1 0 283.803 2.150 10 0 CEAERO CNc1ccc(C(=O)N[C@@H](C)C[NH+]2CCCC2)cc1C ZINC000063058016 522592816 /nfs/dbraw/zinc/59/28/16/522592816.db2.gz FCLVQEDRWKGFDI-ZDUSSCGKSA-N 1 0 275.396 2.251 10 0 CEAERO CC[C@@H]([NH3+])Cc1c(C)nn(Cc2cccnc2)c1C ZINC000062803310 522641492 /nfs/dbraw/zinc/64/14/92/522641492.db2.gz OPLKDOFJZLXAFR-CQSZACIVSA-N 1 0 258.369 2.223 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccc(OCc2ncccn2)c(OC)c1 ZINC000054461821 522642728 /nfs/dbraw/zinc/64/27/28/522642728.db2.gz YSSPUWRKMOXTAW-CYBMUJFWSA-N 1 0 287.363 2.344 10 0 CEAERO CC[C@@H]([NH3+])Cc1cnc(-c2cccc(OC)c2)nc1 ZINC000054858249 522644605 /nfs/dbraw/zinc/64/46/05/522644605.db2.gz FATRGTDUNMHWOA-CYBMUJFWSA-N 1 0 257.337 2.432 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C(C)C)c1ccco1 ZINC000061595162 522651036 /nfs/dbraw/zinc/65/10/36/522651036.db2.gz NRZNZANTWFBOGR-KOLCDFICSA-N 1 0 296.396 2.316 10 0 CEAERO CC[C@@H]([NH3+])[C@](O)(c1cc(F)ccc1F)C(F)(F)F ZINC000062784622 522656085 /nfs/dbraw/zinc/65/60/85/522656085.db2.gz XPKNWYGKCRXJBP-NXEZZACHSA-N 1 0 269.213 2.452 10 0 CEAERO CNc1nc2ccccc2cc1C[N@@H+]1CCC[C@@H]1CO ZINC000050816580 522690679 /nfs/dbraw/zinc/69/06/79/522690679.db2.gz LSFDAOWHHHIDJG-CQSZACIVSA-N 1 0 271.364 2.233 10 0 CEAERO COc1cc(OC)c([C@@H]([NH3+])C2CCOCC2)c(OC)c1 ZINC000061671385 522829916 /nfs/dbraw/zinc/82/99/16/522829916.db2.gz RIAWIPXKMJUDQW-HNNXBMFYSA-N 1 0 281.352 2.139 10 0 CEAERO CC[C@H](OC1CCCCC1)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000157888065 522858558 /nfs/dbraw/zinc/85/85/58/522858558.db2.gz PFIHSTOJHKTLEY-SNPRPXQTSA-N 1 0 282.428 2.358 10 0 CEAERO COc1cc(OC)cc(OCC2CC[NH2+]CC2)c1 ZINC000068835547 522869174 /nfs/dbraw/zinc/86/91/74/522869174.db2.gz OYDARAHSODIOEW-UHFFFAOYSA-N 1 0 251.326 2.082 10 0 CEAERO COc1cc(OC)cc([C@H](O)[C@@H]([NH3+])c2ccccc2)c1 ZINC000054681822 522884209 /nfs/dbraw/zinc/88/42/09/522884209.db2.gz AVBZXLDRMBRELQ-HOTGVXAUSA-N 1 0 273.332 2.437 10 0 CEAERO CC[C@@H]([NH2+][C@@H]1CC(=O)N(C2CCCCC2)C1=O)C(C)C ZINC000049128560 522922773 /nfs/dbraw/zinc/92/27/73/522922773.db2.gz MGPUNHPBRJSWIM-ZIAGYGMSSA-N 1 0 280.412 2.471 10 0 CEAERO CC[C@@H](Oc1ccc(Cl)cc1C[C@@H]([NH3+])CC)C(N)=O ZINC000061678381 523043015 /nfs/dbraw/zinc/04/30/15/523043015.db2.gz LPJNXMJPSJFDDN-NWDGAFQWSA-N 1 0 284.787 2.263 10 0 CEAERO CCn1c(=O)[nH]nc1Sc1ccc([C@@H](C)[NH2+]C)cc1 ZINC000061595857 523096912 /nfs/dbraw/zinc/09/69/12/523096912.db2.gz FTMAAHHMZBCOLH-SECBINFHSA-N 1 0 278.381 2.023 10 0 CEAERO C[N@H+](C[C@](C)(CO)c1ccccc1)C1CCOCC1 ZINC000051293636 523152034 /nfs/dbraw/zinc/15/20/34/523152034.db2.gz PYURWJMDUFHWKB-MRXNPFEDSA-N 1 0 263.381 2.047 10 0 CEAERO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC(=O)N(C(C)C)C1=O ZINC000049118454 523199927 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ZINC000069502530 523501117 /nfs/dbraw/zinc/50/11/17/523501117.db2.gz HMULLCBSNMREDZ-ZBFHGGJFSA-N 1 0 285.391 2.345 10 0 CEAERO CC[C@@H]1COCCN1c1nc(C2CC2)c(C[NH2+]C)s1 ZINC000069179961 523503240 /nfs/dbraw/zinc/50/32/40/523503240.db2.gz UEEOMQKDQWSKNB-LLVKDONJSA-N 1 0 281.425 2.355 10 0 CEAERO CCn1ccnc1N(CCC[NH3+])c1ccccc1OC ZINC000050607892 523548636 /nfs/dbraw/zinc/54/86/36/523548636.db2.gz KRJLOWSWGSIAPG-UHFFFAOYSA-N 1 0 274.368 2.399 10 0 CEAERO COc1ccc(C(=O)N(C)CC[C@H]2CCCC[NH2+]2)cc1F ZINC000061668758 523602954 /nfs/dbraw/zinc/60/29/54/523602954.db2.gz XREGOLIXQHNCKJ-CYBMUJFWSA-N 1 0 294.370 2.439 10 0 CEAERO COCC[N@H+](C)CCn1c(C)cc2c1CC(C)(C)C[C@H]2O ZINC000061380780 523615343 /nfs/dbraw/zinc/61/53/43/523615343.db2.gz RRCIQRPFOKQOQL-MRXNPFEDSA-N 1 0 294.439 2.381 10 0 CEAERO COCC[N@H+](C)CCn1c2ccc(N)cc2nc1C1CC1 ZINC000061380863 523618741 /nfs/dbraw/zinc/61/87/41/523618741.db2.gz YTQIZQUDQWLWHC-UHFFFAOYSA-N 1 0 288.395 2.074 10 0 CEAERO CO[C@@H]1CCC[C@H](Oc2nc3c(cc2C(N)=[NH2+])CCC3)C1 ZINC000070330314 523648851 /nfs/dbraw/zinc/64/88/51/523648851.db2.gz VFQMZAMBFLLEDY-NEPJUHHUSA-N 1 0 289.379 2.191 10 0 CEAERO CC[C@@]1(C(=O)N2CCOc3ccccc3C2)CCC[NH2+]C1 ZINC000062858959 523691915 /nfs/dbraw/zinc/69/19/15/523691915.db2.gz OXKVHAUHYGBPLB-QGZVFWFLSA-N 1 0 288.391 2.187 10 0 CEAERO CC[C@@]1(C(=O)NC[C@@H]2CCCC[C@@H]2C)CC[NH2+]C1 ZINC000062902135 523694723 /nfs/dbraw/zinc/69/47/23/523694723.db2.gz GHPCWBFKXURNNI-KCQAQPDRSA-N 1 0 252.402 2.319 10 0 CEAERO COc1ccc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)c(O)c1 ZINC000049560324 523734956 /nfs/dbraw/zinc/73/49/56/523734956.db2.gz JBIDXALKXYFEGP-GFCCVEGCSA-N 1 0 294.395 2.107 10 0 CEAERO COCCN(Cc1cccs1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054307773 523766204 /nfs/dbraw/zinc/76/62/04/523766204.db2.gz YGEURKQTTZFRGK-ZDUSSCGKSA-N 1 0 296.436 2.113 10 0 CEAERO COCCN([C@@H](C[NH3+])c1ccc(F)c(C)c1)[C@@H](C)COC ZINC000050558491 523780980 /nfs/dbraw/zinc/78/09/80/523780980.db2.gz BQKPYEDMZSZYRZ-BBRMVZONSA-N 1 0 298.402 2.117 10 0 CEAERO C[N@@H+]1CCCC[C@H]1CCNc1ccc(S(C)(=O)=O)cc1 ZINC000052205295 523797416 /nfs/dbraw/zinc/79/74/16/523797416.db2.gz PNJGMVSLVUAVAS-AWEZNQCLSA-N 1 0 296.436 2.376 10 0 CEAERO COc1ccc(C)cc1C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000052943441 523802626 /nfs/dbraw/zinc/80/26/26/523802626.db2.gz RKMYXTNBVHTENB-CHWSQXEVSA-N 1 0 276.380 2.122 10 0 CEAERO C[N@@H+]1CCCN(c2ccc(C(N)=S)cc2Cl)CC1 ZINC000062795205 523812391 /nfs/dbraw/zinc/81/23/91/523812391.db2.gz ZZQCZRWLXDDYAW-UHFFFAOYSA-N 1 0 283.828 2.116 10 0 CEAERO C[N@@H+]1CCC[C@@H](CNc2ccc3c(c2)CCC(=O)N3)C1 ZINC000054242350 523815352 /nfs/dbraw/zinc/81/53/52/523815352.db2.gz PPNAFDGIEMTXGY-LBPRGKRZSA-N 1 0 273.380 2.325 10 0 CEAERO COC(=O)[C@@](C)([NH3+])C[C@@H](C)Sc1nc2ccccc2[nH]1 ZINC000068635346 523818564 /nfs/dbraw/zinc/81/85/64/523818564.db2.gz BGZPOJGRZPWONJ-OTYXRUKQSA-N 1 0 293.392 2.324 10 0 CEAERO C[N@@H+]1CCC[C@@H]1CCOc1nc(Cl)nc(Cl)n1 ZINC000061517906 523824545 /nfs/dbraw/zinc/82/45/45/523824545.db2.gz CEGWXOASFBGMBD-SSDOTTSWSA-N 1 0 277.155 2.042 10 0 CEAERO C[N@@H+]1CCC[C@H](CNc2ccc(N3CCOCC3)cc2)C1 ZINC000054240273 523841222 /nfs/dbraw/zinc/84/12/22/523841222.db2.gz UOFVYBODGWDCLD-OAHLLOKOSA-N 1 0 289.423 2.277 10 0 CEAERO CCc1ccc(C(=O)N[C@@H]2CCCC[NH2+]C2)s1 ZINC000070119861 523892561 /nfs/dbraw/zinc/89/25/61/523892561.db2.gz HVTNHSVFZWBMQG-SNVBAGLBSA-N 1 0 252.383 2.182 10 0 CEAERO COC(=O)[C@H](CC[N@H+](C)[C@@H](C)CC(C)C)NC1CC1 ZINC000062524284 523899086 /nfs/dbraw/zinc/89/90/86/523899086.db2.gz XGHGKYZQJWYGPW-JSGCOSHPSA-N 1 0 270.417 2.037 10 0 CEAERO COC(=O)[C@H]([NH2+]C1CCCCCC1)C1CCOCC1 ZINC000052179326 523925097 /nfs/dbraw/zinc/92/50/97/523925097.db2.gz RUAYBYNXJRNNLI-CQSZACIVSA-N 1 0 269.385 2.267 10 0 CEAERO COCC[NH2+]C[C@@H](CCOC)Cc1ccc(F)cc1 ZINC000054666753 523940478 /nfs/dbraw/zinc/94/04/78/523940478.db2.gz VIDJYJCHQWSQGW-AWEZNQCLSA-N 1 0 269.360 2.257 10 0 CEAERO COCC[NH2+]C[C@@H]1C[C@@]1(C)c1ccc(OC)cc1OC ZINC000054599244 523941468 /nfs/dbraw/zinc/94/14/68/523941468.db2.gz NTBBADNEZACQCX-BLLLJJGKSA-N 1 0 279.380 2.217 10 0 CEAERO COCC[NH2+]C[C@H](C)Oc1ccc(Br)cc1 ZINC000053566125 523942493 /nfs/dbraw/zinc/94/24/93/523942493.db2.gz WZZPMCNFGJJQJJ-JTQLQIEISA-N 1 0 288.185 2.452 10 0 CEAERO COCC[NH2+]C[C@@]1(Cc2cc(C)cc(C)c2)CCOC1 ZINC000054666487 523942700 /nfs/dbraw/zinc/94/27/00/523942700.db2.gz IAEAAXVDVSSUPR-KRWDZBQOSA-N 1 0 277.408 2.489 10 0 CEAERO CC[C@H](C)[NH+]1CCN(C(=O)c2cc(N)ccc2Cl)CC1 ZINC000055063503 523951480 /nfs/dbraw/zinc/95/14/80/523951480.db2.gz YTIPFYSDPKKRAL-NSHDSACASA-N 1 0 295.814 2.479 10 0 CEAERO COc1ccc(CC[N@H+]2[C@@H]3CC[C@H]2CC(O)C3)cc1 ZINC000062658269 523952908 /nfs/dbraw/zinc/95/29/08/523952908.db2.gz VHOKKIVMSSSGRC-YIONKMFJSA-N 1 0 261.365 2.225 10 0 CEAERO CC[C@H](C)[NH+]1CCN(C[C@@H](O)c2ccc(OC)cc2)CC1 ZINC000055069705 523954174 /nfs/dbraw/zinc/95/41/74/523954174.db2.gz XXZAHGYWPOZDTA-WMLDXEAASA-N 1 0 292.423 2.145 10 0 CEAERO CC[C@H](C)N1CC[NH+](C[C@H]2CCCCC2=O)CC1 ZINC000055071476 523955683 /nfs/dbraw/zinc/95/56/83/523955683.db2.gz DTQVAQVTBWVQGF-UONOGXRCSA-N 1 0 252.402 2.162 10 0 CEAERO CC[C@H](C)[NH+]1CCN(c2nc(C)c([C@@H](C)O)s2)CC1 ZINC000055076408 523961511 /nfs/dbraw/zinc/96/15/11/523961511.db2.gz ZJGFNVOOJVXTII-CMPLNLGQSA-N 1 0 283.441 2.425 10 0 CEAERO COc1ccc(CCNc2[nH+]ccn2C)cc1OC ZINC000050605613 523979680 /nfs/dbraw/zinc/97/96/80/523979680.db2.gz IVUQCXUGTARKON-UHFFFAOYSA-N 1 0 261.325 2.092 10 0 CEAERO CO[C@H]1CCC[C@H](OCCOc2cccc(C[NH3+])c2)C1 ZINC000070323734 523983634 /nfs/dbraw/zinc/98/36/34/523983634.db2.gz UDQIEEALIUXDJU-HOCLYGCPSA-N 1 0 279.380 2.498 10 0 CEAERO CN(C)C(=O)Cc1ccc(NC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000054241827 523999523 /nfs/dbraw/zinc/99/95/23/523999523.db2.gz UGORDOUKGVYYJJ-MRXNPFEDSA-N 1 0 289.423 2.214 10 0 CEAERO COC(=O)[C@](C)(C[C@H](C)[N@H+](C)CC(C)(C)C)NC1CC1 ZINC000068636198 523999809 /nfs/dbraw/zinc/99/98/09/523999809.db2.gz NIQRVTFXOBTSRI-LRDDRELGSA-N 1 0 284.444 2.427 10 0 CEAERO COC(=O)[C@](C)(C[C@H](C)[NH+]1CCC(C)CC1)NC(C)C ZINC000068618564 524000416 /nfs/dbraw/zinc/00/04/16/524000416.db2.gz TVZVCCYZQXSLCQ-HOCLYGCPSA-N 1 0 284.444 2.427 10 0 CEAERO COC(=O)[C@](C)([NH3+])C[C@H](C)n1ccnc1-c1ccccc1 ZINC000068649043 524002884 /nfs/dbraw/zinc/00/28/84/524002884.db2.gz HJTJFRPLMGOKNG-BLLLJJGKSA-N 1 0 287.363 2.392 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)Nc1ccccc1[C@@H](C)O ZINC000049547469 524003316 /nfs/dbraw/zinc/00/33/16/524003316.db2.gz ISLBMGQMFUFLGA-WDEREUQCSA-N 1 0 250.342 2.067 10 0 CEAERO COC(=O)[C@](C[N@H+](C)CCC(C)C)(NC(C)C)C1CC1 ZINC000069183753 524003486 /nfs/dbraw/zinc/00/34/86/524003486.db2.gz TYJTUYJGYDRNRP-MRXNPFEDSA-N 1 0 284.444 2.284 10 0 CEAERO CN1c2ccc([C@@H]([NH3+])[C@H]3CCCCO3)cc2CCC1=O ZINC000062806390 524032991 /nfs/dbraw/zinc/03/29/91/524032991.db2.gz CGOYSVUSKPCIML-GDBMZVCRSA-N 1 0 274.364 2.165 10 0 CEAERO C[NH+](C)CCCCNC(=O)c1cc2cc(N)ccc2o1 ZINC000045660974 524052267 /nfs/dbraw/zinc/05/22/67/524052267.db2.gz ZDHVUWNWUSIGTJ-UHFFFAOYSA-N 1 0 275.352 2.087 10 0 CEAERO COc1ccc(C[NH2+]C(C)(C)C)c(OC[C@@H](C)O)c1 ZINC000062733117 524068917 /nfs/dbraw/zinc/06/89/17/524068917.db2.gz CVRIWPKXOHYINT-LLVKDONJSA-N 1 0 267.369 2.343 10 0 CEAERO COc1ccc(C[NH2+]CC(C)C)c(OC[C@@H](C)O)c1 ZINC000062733204 524069127 /nfs/dbraw/zinc/06/91/27/524069127.db2.gz MZICVWHNKBQPDB-GFCCVEGCSA-N 1 0 267.369 2.200 10 0 CEAERO Cc1cccc(-c2nnc(CN3[C@H](C)C[NH2+]C[C@@H]3C)o2)c1 ZINC000069134220 524124200 /nfs/dbraw/zinc/12/42/00/524124200.db2.gz DHAGCDOEKHWYNT-BETUJISGSA-N 1 0 286.379 2.227 10 0 CEAERO C[C@H]1CCC[NH2+][C@H]1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000051790732 524125749 /nfs/dbraw/zinc/12/57/49/524125749.db2.gz NOXTUPHEPGONTD-DVMIWYLISA-N 1 0 276.424 2.460 10 0 CEAERO COc1ccc(C[C@@H]([NH3+])c2cncc(F)c2)cc1OC ZINC000049576456 524140440 /nfs/dbraw/zinc/14/04/40/524140440.db2.gz HBPHSBPTYRKVSM-CYBMUJFWSA-N 1 0 276.311 2.480 10 0 CEAERO C[C@H]1CCC[C@@H](n2nnnc2C[NH2+]C(C)(C)C)C1 ZINC000054745249 524154087 /nfs/dbraw/zinc/15/40/87/524154087.db2.gz 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/nfs/dbraw/zinc/21/98/46/524219846.db2.gz DCOLUQOBSCEJNM-VXGBXAGGSA-N 1 0 261.369 2.328 10 0 CEAERO C[C@H]1CCC[C@](C[NH2+]CCCCCO)(N(C)C)C1 ZINC000051021033 524223064 /nfs/dbraw/zinc/22/30/64/524223064.db2.gz WCTWMJJYHABZQK-GJZGRUSLSA-N 1 0 256.434 2.249 10 0 CEAERO C[C@@H]1CCC[N@H+](Cc2cccnc2C(N)=S)[C@@H]1C ZINC000061663654 524235906 /nfs/dbraw/zinc/23/59/06/524235906.db2.gz NFOKQYKXFBZESY-GHMZBOCLSA-N 1 0 263.410 2.336 10 0 CEAERO C[C@@H]1CCCN(c2cc(Cl)ccc2C(N)=O)[C@@H]1C[NH3+] ZINC000070178353 524246146 /nfs/dbraw/zinc/24/61/46/524246146.db2.gz MSBNRJFWYLJEIT-NOZJJQNGSA-N 1 0 281.787 2.003 10 0 CEAERO C[C@H]1CCN(C(=O)Nc2ccccc2F)C[C@@H]1[NH3+] ZINC000070146356 524258575 /nfs/dbraw/zinc/25/85/75/524258575.db2.gz BUCKFTNQQCPGIF-ONGXEEELSA-N 1 0 251.305 2.027 10 0 CEAERO C[C@H]1CCN(C(=O)c2ccccc2Br)C[C@H]1[NH3+] ZINC000070145674 524272889 /nfs/dbraw/zinc/27/28/89/524272889.db2.gz JWRUHLAPHSBJRD-JOYOIKCWSA-N 1 0 297.196 2.258 10 0 CEAERO C[C@H]1CCN(C(=O)c2cccc(CC[NH3+])c2)[C@@H](C)C1 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ZINC000061821093 525399202 /nfs/dbraw/zinc/39/92/02/525399202.db2.gz BIQKHAUUDOFHFL-UHFFFAOYSA-N 1 0 262.377 2.327 10 0 CEAERO Cc1ccccc1[C@H](C)NC(=O)c1ccc(NN)[nH+]c1 ZINC000051119685 525414386 /nfs/dbraw/zinc/41/43/86/525414386.db2.gz XYYZJCDPBJXDAB-NSHDSACASA-N 1 0 270.336 2.167 10 0 CEAERO Cc1ccccc1[C@H](C)n1nnnc1C[NH2+]CC(C)C ZINC000054747891 525422529 /nfs/dbraw/zinc/42/25/29/525422529.db2.gz YUGYFKDSNUXPOW-ZDUSSCGKSA-N 1 0 273.384 2.336 10 0 CEAERO Cc1ccc(OC[C@]([NH2+]C2CC2)(C(N)=O)C2CC2)c(C)c1 ZINC000069196986 525442928 /nfs/dbraw/zinc/44/29/28/525442928.db2.gz LJENBJNRKLTVOK-QGZVFWFLSA-N 1 0 288.391 2.068 10 0 CEAERO Cc1nc[nH]c1CNC1CC[NH+](C(C)(C)C)CC1 ZINC000054796810 525459579 /nfs/dbraw/zinc/45/95/79/525459579.db2.gz LTKRWGRXCAWOCL-UHFFFAOYSA-N 1 0 250.390 2.071 10 0 CEAERO C[C@@H]([NH2+]CCn1cnc2cc(F)c(F)cc21)[C@@H]1CCCO1 ZINC000053530840 525469955 /nfs/dbraw/zinc/46/99/55/525469955.db2.gz GUTVQNHFIICZKC-BMIGLBTASA-N 1 0 295.333 2.472 10 0 CEAERO C[C@H](NS(=O)(=O)C[C@@H]1CCCC[NH2+]1)C1CCCCC1 ZINC000052344021 525500654 /nfs/dbraw/zinc/50/06/54/525500654.db2.gz OQCRSHTYZFBINU-JSGCOSHPSA-N 1 0 288.457 2.017 10 0 CEAERO CSCC[NH2+]C[C@@H](O)COc1ccc(Cl)c(C)c1 ZINC000069446222 525508324 /nfs/dbraw/zinc/50/83/24/525508324.db2.gz FAVNPNSHVCJQDJ-LLVKDONJSA-N 1 0 289.828 2.341 10 0 CEAERO COc1ccc2c(c1)[C@@H]([NH2+]CCSC)CCO2 ZINC000069429840 525574017 /nfs/dbraw/zinc/57/40/17/525574017.db2.gz ALONJFZOPKJWTN-LBPRGKRZSA-N 1 0 253.367 2.471 10 0 CEAERO COc1ccc2c(c1)[C@@H](N[C@H](C)CC[NH+](C)C)CCO2 ZINC000049554315 525578314 /nfs/dbraw/zinc/57/83/14/525578314.db2.gz CDPGPAGYEWXLGT-DOMZBBRYSA-N 1 0 278.396 2.449 10 0 CEAERO CSC[C@@H](C)C[NH2+][C@@H](C)c1c(C)nc(C)[nH]c1=O ZINC000069438944 525623540 /nfs/dbraw/zinc/62/35/40/525623540.db2.gz UZMMPRZMEKGXEQ-IUCAKERBSA-N 1 0 269.414 2.036 10 0 CEAERO CSC[C@H](C)CNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000069448776 525676442 /nfs/dbraw/zinc/67/64/42/525676442.db2.gz TWBNIBLCFPYQPF-YPMHNXCESA-N 1 0 266.410 2.192 10 0 CEAERO CSC[C@H](C)C[NH2+]C[C@H](O)c1ccc2c(c1)OCO2 ZINC000069447938 525681052 /nfs/dbraw/zinc/68/10/52/525681052.db2.gz RCHHJIXBUBOJQY-PWSUYJOCSA-N 1 0 283.393 2.037 10 0 CEAERO CSC[C@H](C)C[NH2+]CC(=O)Nc1ccccc1 ZINC000069447849 525681170 /nfs/dbraw/zinc/68/11/70/525681170.db2.gz VAGTVISTIGQBQO-LLVKDONJSA-N 1 0 252.383 2.214 10 0 CEAERO COc1cccc(-c2nc(C)cc(C[C@@H](C)[NH3+])n2)c1 ZINC000054835458 525723181 /nfs/dbraw/zinc/72/31/81/525723181.db2.gz DFIWEHJFTBZANJ-SNVBAGLBSA-N 1 0 257.337 2.350 10 0 CEAERO C[C@@]1(C(=O)N2CCC[C@@H]2c2ccncc2)CCC[NH2+]C1 ZINC000062854215 525784901 /nfs/dbraw/zinc/78/49/01/525784901.db2.gz SCUZDUCBSYVXOZ-GDBMZVCRSA-N 1 0 273.380 2.135 10 0 CEAERO C[C@@H](O)c1c(F)cccc1N1CCC[C@@H]1C[NH+](C)C ZINC000061645489 525864646 /nfs/dbraw/zinc/86/46/46/525864646.db2.gz VOFBJPARWDBHTL-VXGBXAGGSA-N 1 0 266.360 2.409 10 0 CEAERO Cc1ccc([C@@H]2[C@@H](C[NH2+]C(C)C)OCCN2C)cc1 ZINC000070286156 525865731 /nfs/dbraw/zinc/86/57/31/525865731.db2.gz WRNTVYSYYWQLRA-HZPDHXFCSA-N 1 0 262.397 2.365 10 0 CEAERO C[C@@]1([NH2+][C@@H]2CCCc3sccc32)CCS(=O)(=O)C1 ZINC000061326116 525875674 /nfs/dbraw/zinc/87/56/74/525875674.db2.gz PIVHIYDMNQPYEB-DGCLKSJQSA-N 1 0 285.434 2.292 10 0 CEAERO Cc1ccsc1[C@H](CN)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757607 525889285 /nfs/dbraw/zinc/88/92/85/525889285.db2.gz ZUGYRBFUBUEXHP-OLZOCXBDSA-N 1 0 268.426 2.293 10 0 CEAERO COc1cccc(CN(C)[C@]2(C[NH3+])CCCSC2)c1 ZINC000061590133 525916290 /nfs/dbraw/zinc/91/62/90/525916290.db2.gz GXWITYNOONFZBT-HNNXBMFYSA-N 1 0 280.437 2.352 10 0 CEAERO Cc1cn2c(CN[C@@H](C)CC[NH+](C)C)c(C)nc2s1 ZINC000049553914 525916168 /nfs/dbraw/zinc/91/61/68/525916168.db2.gz QCXSNQHSMSJTPW-JTQLQIEISA-N 1 0 280.441 2.442 10 0 CEAERO C[C@H](C(=O)N(C)C1C2CC3CC(C2)CC1C3)C1C[NH2+]C1 ZINC000164214721 525929605 /nfs/dbraw/zinc/92/96/05/525929605.db2.gz OKHGYCKFFOTKRT-BSTQEOMGSA-N 1 0 276.424 2.125 10 0 CEAERO Cc1ccc([C@H](Sc2ncnc3[nH]cnc32)[C@H](C)[NH3+])o1 ZINC000051036179 525978934 /nfs/dbraw/zinc/97/89/34/525978934.db2.gz MCOMHUWGYCSWIM-GZMMTYOYSA-N 1 0 289.364 2.435 10 0 CEAERO CCCC[C@@H](COC)[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000089732745 534899302 /nfs/dbraw/zinc/89/93/02/534899302.db2.gz WOMNQFWYHGFCTK-GJZGRUSLSA-N 1 0 292.427 2.240 10 0 CEAERO Cc1cnc(CNC(=O)Nc2cccc([C@H](C)[NH3+])c2)cn1 ZINC000061323721 526030657 /nfs/dbraw/zinc/03/06/57/526030657.db2.gz QMGNRQXLIPRSCQ-NSHDSACASA-N 1 0 285.351 2.126 10 0 CEAERO C[C@H](c1ccc(F)cc1)n1nnnc1C[NH2+]C(C)(C)C ZINC000054747390 526064614 /nfs/dbraw/zinc/06/46/14/526064614.db2.gz DDKZDOMHCOMNEU-SNVBAGLBSA-N 1 0 277.347 2.310 10 0 CEAERO C[C@H](c1cccc(F)c1)n1nnnc1C[NH2+]C(C)(C)C ZINC000054747627 526080895 /nfs/dbraw/zinc/08/08/95/526080895.db2.gz SYLKTJVIWBUAAC-SNVBAGLBSA-N 1 0 277.347 2.310 10 0 CEAERO COc1cccc(N(C)C(=O)[C@@H]2CCC[C@H](C)[NH2+]2)c1 ZINC000049973051 526130269 /nfs/dbraw/zinc/13/02/69/526130269.db2.gz YYZUTAZUYGLYOV-FZMZJTMJSA-N 1 0 262.353 2.189 10 0 CEAERO C[C@H](c1nc2cc(Cl)ccc2o1)N1CC[NH2+]CC1 ZINC000051658324 526177724 /nfs/dbraw/zinc/17/77/24/526177724.db2.gz YLMJCBSITHBTNH-SECBINFHSA-N 1 0 265.744 2.447 10 0 CEAERO C[C@@H]1CC=CC[C@H]1COCC[NH2+]C1CCOCC1 ZINC000062768043 526238645 /nfs/dbraw/zinc/23/86/45/526238645.db2.gz JAUSTVKOOOZBAM-KGLIPLIRSA-N 1 0 253.386 2.374 10 0 CEAERO Cc1ccc2n1CCN(C(=O)[C@@H]1CC13CC[NH2+]CC3)[C@@H]2C ZINC000070253850 526240296 /nfs/dbraw/zinc/24/02/96/526240296.db2.gz XBTZVHMKOMIZJO-KGLIPLIRSA-N 1 0 287.407 2.089 10 0 CEAERO Cc1nn(Cc2cccnc2C[NH3+])c(C)c1Br ZINC000061657128 526298558 /nfs/dbraw/zinc/29/85/58/526298558.db2.gz BDFIEHHCOKTGFX-UHFFFAOYSA-N 1 0 295.184 2.164 10 0 CEAERO O[C@H](c1ccc(Br)o1)[C@H]1CCCC[NH2+]1 ZINC000069843135 526299811 /nfs/dbraw/zinc/29/98/11/526299811.db2.gz YHBXZQQTJJCRBJ-XCBNKYQSSA-N 1 0 260.131 2.218 10 0 CEAERO Cc1csc(CNC(=O)C[C@@H](C)C2CC[NH2+]CC2)n1 ZINC000164039378 526348323 /nfs/dbraw/zinc/34/83/23/526348323.db2.gz XLCXYDCDDCDZPN-SNVBAGLBSA-N 1 0 281.425 2.094 10 0 CEAERO Cc1csc(Cc2noc(CCCCC[NH3+])n2)n1 ZINC000055266169 526369280 /nfs/dbraw/zinc/36/92/80/526369280.db2.gz CGFDDYDFJWKIJQ-UHFFFAOYSA-N 1 0 266.370 2.097 10 0 CEAERO Cc1csc(SCC[C@@](C)([NH2+]C(C)C)C(N)=O)n1 ZINC000045587638 526397904 /nfs/dbraw/zinc/39/79/04/526397904.db2.gz CFGNFHFFKPFSAA-GFCCVEGCSA-N 1 0 287.454 2.176 10 0 CEAERO O=C(CCC1CC[NH2+]CC1)N(CC(F)(F)F)C1CC1 ZINC000050951525 526407850 /nfs/dbraw/zinc/40/78/50/526407850.db2.gz JKXPITDHQCTYHN-UHFFFAOYSA-N 1 0 278.318 2.320 10 0 CEAERO Fc1ccccc1COCC[NH2+]C[C@H]1CCCO1 ZINC000069286893 526411729 /nfs/dbraw/zinc/41/17/29/526411729.db2.gz UBMARIKKSIHVSJ-CYBMUJFWSA-N 1 0 253.317 2.111 10 0 CEAERO c1ccc(-c2nnc(CN[C@@H]3CC[N@@H+](C4CC4)C3)o2)cc1 ZINC000050601944 526455633 /nfs/dbraw/zinc/45/56/33/526455633.db2.gz XIMXLKDEWRZXNH-CYBMUJFWSA-N 1 0 284.363 2.063 10 0 CEAERO c1ccc(C[C@H]2C[NH2+]CCN2Cc2ccccn2)cc1 ZINC000068696701 526476639 /nfs/dbraw/zinc/47/66/39/526476639.db2.gz UOHNPFGGTJAICX-KRWDZBQOSA-N 1 0 267.376 2.098 10 0 CEAERO c1ccc([C@@H]2CN(C[C@@H]3CCCO3)CCC[NH2+]2)cc1 ZINC000062657042 526493836 /nfs/dbraw/zinc/49/38/36/526493836.db2.gz XMMZGLIQYOAKBZ-HOTGVXAUSA-N 1 0 260.381 2.202 10 0 CEAERO O=C(CC[C@H]1CCCC[NH2+]1)N1CCOc2ccccc21 ZINC000050950410 526564522 /nfs/dbraw/zinc/56/45/22/526564522.db2.gz FXGQMNSPDFIXRN-CYBMUJFWSA-N 1 0 274.364 2.334 10 0 CEAERO O=C(CC[C@H]1CCCC[NH2+]1)NC[C@@H]1Cc2ccccc21 ZINC000050945254 526565537 /nfs/dbraw/zinc/56/55/37/526565537.db2.gz WGPFZQLSKNFDIZ-LSDHHAIUSA-N 1 0 272.392 2.365 10 0 CEAERO c1nnc(C2(c3ccccc3)CC[NH2+]CC2)n1C1CC1 ZINC000054498463 526622320 /nfs/dbraw/zinc/62/23/20/526622320.db2.gz OEYHNDLZYNUKRX-UHFFFAOYSA-N 1 0 268.364 2.283 10 0 CEAERO Cc1nc(C)n(-c2ccc(C[NH2+]C3CC3)cc2C)n1 ZINC000050562516 526756708 /nfs/dbraw/zinc/75/67/08/526756708.db2.gz IDRCIAGREXITFA-UHFFFAOYSA-N 1 0 256.353 2.445 10 0 CEAERO Cc1oc(CN(C)Cc2cscn2)cc1C[NH3+] ZINC000052503788 526769865 /nfs/dbraw/zinc/76/98/65/526769865.db2.gz URHSOHCKKZKWRL-UHFFFAOYSA-N 1 0 251.355 2.135 10 0 CEAERO NC(=[NH2+])c1cc2c(nc1OCC1CCOCC1)CCCC2 ZINC000052154749 526821649 /nfs/dbraw/zinc/82/16/49/526821649.db2.gz TZZKBMAMNMRVSX-UHFFFAOYSA-N 1 0 289.379 2.050 10 0 CEAERO Cc1nc(CNC[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)cs1 ZINC000049539056 526887608 /nfs/dbraw/zinc/88/76/08/526887608.db2.gz BEUYZHZWYQXNPJ-OBJOEFQTSA-N 1 0 265.426 2.462 10 0 CEAERO NC(=O)Nc1ccc(NC(=O)CC[C@@H]2CCCC[NH2+]2)cc1 ZINC000050944853 526949276 /nfs/dbraw/zinc/94/92/76/526949276.db2.gz GGHQCHYYRAKUIB-NSHDSACASA-N 1 0 290.367 2.038 10 0 CEAERO Cc1nc(N2CCOC(C)(C)C2)sc1C[NH2+]C1CC1 ZINC000054997844 526970817 /nfs/dbraw/zinc/97/08/17/526970817.db2.gz KCMPDDJCGKRPPU-UHFFFAOYSA-N 1 0 281.425 2.319 10 0 CEAERO Cc1nc(N2CCOCC2)nc(C)c1[C@H](C)C[NH2+]C(C)C ZINC000054854999 526971410 /nfs/dbraw/zinc/97/14/10/526971410.db2.gz HMIHXOHAAFXEDG-GFCCVEGCSA-N 1 0 292.427 2.032 10 0 CEAERO NC(=O)[C@@](CSC1CCCCC1)([NH2+]C1CC1)C1CC1 ZINC000069188464 526989768 /nfs/dbraw/zinc/98/97/68/526989768.db2.gz UZLUKCIMFASDOC-HNNXBMFYSA-N 1 0 282.453 2.438 10 0 CEAERO NC(=O)c1ccc(F)c(C[NH2+]CCc2ccsc2)c1 ZINC000049181561 527053520 /nfs/dbraw/zinc/05/35/20/527053520.db2.gz IEINRDMDTXJZPU-UHFFFAOYSA-N 1 0 278.352 2.318 10 0 CEAERO O=C1NCCCC[C@@H]1[NH2+][C@H](c1cccs1)C1CC1 ZINC000051100094 527060862 /nfs/dbraw/zinc/06/08/62/527060862.db2.gz YWHLUDSOYRCEPK-AAEUAGOBSA-N 1 0 264.394 2.458 10 0 CEAERO NC(=S)c1ccc(F)cc1C[N@@H+]1CCC[C@@H]1CCCO ZINC000069403173 527118746 /nfs/dbraw/zinc/11/87/46/527118746.db2.gz YIDRVRCYINAROX-CYBMUJFWSA-N 1 0 296.411 2.197 10 0 CEAERO Cc1nc2cc(N)ccc2n1C[C@@H]1CCCC[N@H+]1C ZINC000052854194 527122161 /nfs/dbraw/zinc/12/21/61/527122161.db2.gz ADZMWLLNNSGEPV-ZDUSSCGKSA-N 1 0 258.369 2.411 10 0 CEAERO Cc1[nH+]c2cc(N)ccc2n1[C@H](C)Cn1ccnc1 ZINC000052855113 527123111 /nfs/dbraw/zinc/12/31/11/527123111.db2.gz RIFIJMDUNNNONR-SNVBAGLBSA-N 1 0 255.325 2.385 10 0 CEAERO [NH3+]C1CCC(CC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1 ZINC000055134132 527139721 /nfs/dbraw/zinc/13/97/21/527139721.db2.gz BDCHDIXLJCSPIB-CVSAEHQPSA-N 1 0 280.412 2.064 10 0 CEAERO O=C(C[C@H]1CCCC[NH2+]1)NCc1ccc(F)c(F)c1 ZINC000049575590 527161092 /nfs/dbraw/zinc/16/10/92/527161092.db2.gz DMMOBXZTUGDZOP-LLVKDONJSA-N 1 0 268.307 2.113 10 0 CEAERO [NH3+]CC1(C(=O)N2Cc3ccccc3C2)CCCCC1 ZINC000050911844 527161728 /nfs/dbraw/zinc/16/17/28/527161728.db2.gz UUUXLUSJIKXRPZ-UHFFFAOYSA-N 1 0 258.365 2.438 10 0 CEAERO [NH3+]CCCN(C(=O)Cc1cccc(O)c1)C1CCCCC1 ZINC000048814693 527176774 /nfs/dbraw/zinc/17/67/74/527176774.db2.gz YIBFVTBRLRKFMK-UHFFFAOYSA-N 1 0 290.407 2.445 10 0 CEAERO [NH3+]CCCN(C(=O)[C@H]1CCCCO1)C1CCCCCC1 ZINC000050958329 527177256 /nfs/dbraw/zinc/17/72/56/527177256.db2.gz PCXILNVBOAWAAT-OAHLLOKOSA-N 1 0 282.428 2.456 10 0 CEAERO Cc1nc2ccccn2c1C[NH2+][C@H](C)CN1CCCC1 ZINC000049150780 527180067 /nfs/dbraw/zinc/18/00/67/527180067.db2.gz ZPQTYXVEEYBYBQ-CYBMUJFWSA-N 1 0 272.396 2.217 10 0 CEAERO [NH3+]CCCc1nc2cccc(Br)c2o1 ZINC000062537237 527183459 /nfs/dbraw/zinc/18/34/59/527183459.db2.gz RXMTUAUGDNMVJX-UHFFFAOYSA-N 1 0 255.115 2.482 10 0 CEAERO [NH3+]CCc1ccc(CNc2ccc(Cl)nn2)cc1 ZINC000052899325 527196987 /nfs/dbraw/zinc/19/69/87/527196987.db2.gz NTBNHOCGTUGLHN-UHFFFAOYSA-N 1 0 262.744 2.243 10 0 CEAERO [NH3+]CCc1nnc(C2(c3ccccc3)CCCC2)[nH]1 ZINC000062783190 527198939 /nfs/dbraw/zinc/19/89/39/527198939.db2.gz AZXVMUKHSFURNH-UHFFFAOYSA-N 1 0 256.353 2.166 10 0 CEAERO Cn1cc(C[C@@H]([NH3+])c2ccc(Cl)cc2F)cn1 ZINC000062785824 527228843 /nfs/dbraw/zinc/22/88/43/527228843.db2.gz YDVJMWQKDDBHLS-GFCCVEGCSA-N 1 0 253.708 2.455 10 0 CEAERO [NH3+]C[C@H](c1ccc(F)cc1)N(CCO)Cc1ccccc1 ZINC000050514070 527230490 /nfs/dbraw/zinc/23/04/90/527230490.db2.gz IQGULOZMAOBQKF-QGZVFWFLSA-N 1 0 288.366 2.320 10 0 CEAERO Cn1cc(C[C@H]([NH3+])c2cccc(Br)c2)cn1 ZINC000050542457 527232295 /nfs/dbraw/zinc/23/22/95/527232295.db2.gz KFZLLPNQHPESAH-LBPRGKRZSA-N 1 0 280.169 2.425 10 0 CEAERO [NH3+]Cc1cc(Br)ccc1OCc1ncccn1 ZINC000054458276 527244676 /nfs/dbraw/zinc/24/46/76/527244676.db2.gz BZSFDBGLJJOKRI-UHFFFAOYSA-N 1 0 294.152 2.277 10 0 CEAERO [NH3+]Cc1cc(COc2cccc3cccnc32)on1 ZINC000052693898 527246765 /nfs/dbraw/zinc/24/67/65/527246765.db2.gz UONFAXNVPBKLDH-UHFFFAOYSA-N 1 0 255.277 2.261 10 0 CEAERO [NH3+]Cc1ccc(Cl)cc1Sc1nnnn1C1CC1 ZINC000062787251 527254404 /nfs/dbraw/zinc/25/44/04/527254404.db2.gz MALOFCABBCWOEY-UHFFFAOYSA-N 1 0 281.772 2.271 10 0 CEAERO [NH3+]Cc1ccc(F)cc1Cn1cnc2ccccc2c1=O ZINC000069401956 527254726 /nfs/dbraw/zinc/25/47/26/527254726.db2.gz ANNNISPVSBDEGM-UHFFFAOYSA-N 1 0 283.306 2.043 10 0 CEAERO [NH3+]Cc1ccccc1NC(=O)CC[C@@H]1CCCCO1 ZINC000069405581 527260769 /nfs/dbraw/zinc/26/07/69/527260769.db2.gz ZDKHLTZEMRVJEL-ZDUSSCGKSA-N 1 0 262.353 2.433 10 0 CEAERO [NH3+]Cc1ccoc1CN1CCN(Cc2ccccc2)CC1 ZINC000052417115 527262752 /nfs/dbraw/zinc/26/27/52/527262752.db2.gz OJRRALZEMUTIAK-UHFFFAOYSA-N 1 0 285.391 2.056 10 0 CEAERO [NH3+]Cc1ncccc1COc1ccc(F)cc1F ZINC000061657187 527265964 /nfs/dbraw/zinc/26/59/64/527265964.db2.gz XHDLBLIJLDXSLS-UHFFFAOYSA-N 1 0 250.248 2.398 10 0 CEAERO [NH3+]Cc1nc(CN(Cc2ccco2)C2CC2)cs1 ZINC000052370869 527266155 /nfs/dbraw/zinc/26/61/55/527266155.db2.gz AKUQSMKKOQWDSR-UHFFFAOYSA-N 1 0 263.366 2.359 10 0 CEAERO NNc1ccc(-c2ccc(F)c(Br)c2)n[nH+]1 ZINC000061690650 527275296 /nfs/dbraw/zinc/27/52/96/527275296.db2.gz QAQMNBVTBINOTL-UHFFFAOYSA-N 1 0 283.104 2.331 10 0 CEAERO NNc1ccc(C(=O)Nc2cccc3c2CCCC3)c[nH+]1 ZINC000051089849 527277836 /nfs/dbraw/zinc/27/78/36/527277836.db2.gz UKZYBGWFVOQDOM-UHFFFAOYSA-N 1 0 282.347 2.498 10 0 CEAERO NNc1ccc(Cl)c(Cn2ccc(C(F)(F)F)n2)[nH+]1 ZINC000061639196 527280610 /nfs/dbraw/zinc/28/06/10/527280610.db2.gz WQEFPWGLODAYOK-UHFFFAOYSA-N 1 0 291.664 2.284 10 0 CEAERO O=S1(=O)CCC[C@@H]([NH2+][C@@H]2CCCC[C@H]2C(F)(F)F)C1 ZINC000069136519 527301150 /nfs/dbraw/zinc/30/11/50/527301150.db2.gz YBVNRCGBANIQRR-GMTAPVOTSA-N 1 0 299.358 2.274 10 0 CEAERO O=S1(=O)CC[C@H](C2(C[NH2+]C3CC3)CCCCC2)C1 ZINC000054655051 527310181 /nfs/dbraw/zinc/31/01/81/527310181.db2.gz YSZLJTYGBLZLCQ-LBPRGKRZSA-N 1 0 271.426 2.124 10 0 CEAERO O=S1(=O)CC[C@H]([NH2+]C2CCC2)c2ccccc21 ZINC000052208171 527311809 /nfs/dbraw/zinc/31/18/09/527311809.db2.gz DDYPBGSEIBZXEI-LBPRGKRZSA-N 1 0 251.351 2.047 10 0 CEAERO Cc1nccc(N2CCCC[C@H]2C[NH2+]CC(C)C)n1 ZINC000054937633 527344658 /nfs/dbraw/zinc/34/46/58/527344658.db2.gz NAASPJMKRGLDHS-AWEZNQCLSA-N 1 0 262.401 2.390 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1NC(=O)c1ccc(Br)s1 ZINC000063172356 527353155 /nfs/dbraw/zinc/35/31/55/527353155.db2.gz IUMTXDWECNDULG-RQJHMYQMSA-N 1 0 289.198 2.120 10 0 CEAERO [NH3+][C@@H]1CCCc2cc(OC[C@H](O)C(F)(F)F)ccc21 ZINC000068877259 527361796 /nfs/dbraw/zinc/36/17/96/527361796.db2.gz ASWNOZIVKUBAEE-NEPJUHHUSA-N 1 0 275.270 2.325 10 0 CEAERO [NH3+][C@H]1CCCCC[C@@H]1NC(=O)c1cc(F)cc(F)c1 ZINC000063211001 527394500 /nfs/dbraw/zinc/39/45/00/527394500.db2.gz VAANLNNSEQPNFF-STQMWFEESA-N 1 0 268.307 2.355 10 0 CEAERO [NH3+][C@H]1CCCCC[C@H]1NC(=O)CCOc1ccccc1 ZINC000063211017 527395367 /nfs/dbraw/zinc/39/53/67/527395367.db2.gz GOZYZVGLBFQCNG-LSDHHAIUSA-N 1 0 276.380 2.232 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1NC(=O)CCCc1cccs1 ZINC000063173129 527404757 /nfs/dbraw/zinc/40/47/57/527404757.db2.gz QXHXVYYRYDVNTB-RYUDHWBXSA-N 1 0 252.383 2.067 10 0 CEAERO Cc1nccn1CC[N@H+]1C[C@H](C)NC[C@@H]1C1CCCCC1 ZINC000068699267 527426385 /nfs/dbraw/zinc/42/63/85/527426385.db2.gz GMXBUROLKMBLBU-WMLDXEAASA-N 1 0 290.455 2.434 10 0 CEAERO O=C(N1CCC[C@H]1[C@@H]1CCC[NH2+]1)C1(c2ccccc2)CC1 ZINC000061618376 527440630 /nfs/dbraw/zinc/44/06/30/527440630.db2.gz VZRQEEIVZAJCIV-HOTGVXAUSA-N 1 0 284.403 2.461 10 0 CEAERO Cc1ncsc1C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063189249 527476179 /nfs/dbraw/zinc/47/61/79/527476179.db2.gz BNDIPKNMAGJKMH-NWDGAFQWSA-N 1 0 279.409 2.198 10 0 CEAERO O=c1ccc(C(F)(F)F)cn1CC[C@H]1CCCC[NH2+]1 ZINC000057837192 527484864 /nfs/dbraw/zinc/48/48/64/527484864.db2.gz RBQWBHYHMNXIMK-LLVKDONJSA-N 1 0 274.286 2.399 10 0 CEAERO OCC1([NH2+]C[C@H](O)c2cc(F)ccc2F)CCCCC1 ZINC000053097101 527526038 /nfs/dbraw/zinc/52/60/38/527526038.db2.gz YCKQFNVXOGEMAI-AWEZNQCLSA-N 1 0 285.334 2.283 10 0 CEAERO Nc1cc[nH+]cc1[C@@H](O)Cc1cc(F)cc(F)c1 ZINC000070320097 527535203 /nfs/dbraw/zinc/53/52/03/527535203.db2.gz WFIBQLPBHYNLBZ-ZDUSSCGKSA-N 1 0 250.248 2.218 10 0 CEAERO OC[C@H]1CCCN1c1ccc(F)cc1C[NH2+]C1CC1 ZINC000048860871 527616486 /nfs/dbraw/zinc/61/64/86/527616486.db2.gz JVBFZMMORWNZKK-CQSZACIVSA-N 1 0 264.344 2.039 10 0 CEAERO OCc1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000061702241 527635268 /nfs/dbraw/zinc/63/52/68/527635268.db2.gz URYUFLKOXJLLDY-MRXNPFEDSA-N 1 0 284.359 2.227 10 0 CEAERO FC(F)(F)CN(CC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000051919373 527667187 /nfs/dbraw/zinc/66/71/87/527667187.db2.gz QOMCZJBAFQWADT-JTQLQIEISA-N 1 0 250.308 2.403 10 0 CEAERO FC(F)(F)Cc1noc(CC[C@H]2CCCC[NH2+]2)n1 ZINC000050928242 527673453 /nfs/dbraw/zinc/67/34/53/527673453.db2.gz PACCXDJYCSHIHV-MRVPVSSYSA-N 1 0 263.263 2.249 10 0 CEAERO Cc1nn(C)c(N2CCCO[C@@H](C)C2)c1C[NH2+]C(C)(C)C ZINC000062738342 527675545 /nfs/dbraw/zinc/67/55/45/527675545.db2.gz YRYDIIKZXHYNCR-LBPRGKRZSA-N 1 0 294.443 2.232 10 0 CEAERO CC(C)CC(C)(C)CNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000175915755 527677863 /nfs/dbraw/zinc/67/78/63/527677863.db2.gz VLGBNCQJWPZMGL-CYBMUJFWSA-N 1 0 269.433 2.404 10 0 CEAERO CCC[NH+](CCC)CCc1cccc2c1[C@@H](CO)C(=O)N2 ZINC000504028140 528060822 /nfs/dbraw/zinc/06/08/22/528060822.db2.gz BPHPASBJGJQTRY-CQSZACIVSA-N 1 0 290.407 2.379 10 0 CEAERO CCOCC[N@@H+]1CCN(C(=O)[C@H]2CC=CCC2)C[C@H]1CC ZINC000116767342 528745723 /nfs/dbraw/zinc/74/57/23/528745723.db2.gz BGKFUKWOIFSYRO-JKSUJKDBSA-N 1 0 294.439 2.302 10 0 CEAERO CC[C@@H](O)C[NH+]1CCN([C@@H](C)c2cccc(C)c2)CC1 ZINC000174075662 529229770 /nfs/dbraw/zinc/22/97/70/529229770.db2.gz QNZINMGXKISEAV-DOTOQJQBSA-N 1 0 276.424 2.445 10 0 CEAERO CC(C)n1cncc1CN1C[C@@H]([NH3+])Cc2ccccc21 ZINC000090237058 535102505 /nfs/dbraw/zinc/10/25/05/535102505.db2.gz KCLFJJBLBIAZHY-AWEZNQCLSA-N 1 0 270.380 2.354 10 0 CEAERO CC(C)C[C@H](C)[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000089733346 535299253 /nfs/dbraw/zinc/29/92/53/535299253.db2.gz CJZKGXYVZHPXIO-UONOGXRCSA-N 1 0 262.401 2.470 10 0 CEAERO CC[NH2+][C@H](C)c1ccnc(N2CCCC[C@@H]2CO)c1 ZINC000094998520 535515952 /nfs/dbraw/zinc/51/59/52/535515952.db2.gz XONGBSZMBRNXDA-TZMCWYRMSA-N 1 0 263.385 2.103 10 0 CEAERO C[NH2+][C@@H](C)[C@H]1CCCCN1c1ccccc1S(C)(=O)=O ZINC000111717817 536351171 /nfs/dbraw/zinc/35/11/71/536351171.db2.gz VNSKLKVTOKNBNA-QWHCGFSZSA-N 1 0 296.436 2.057 10 0 CEAERO COC(=O)c1ccc(N2[C@H](C)CCC[C@@H]2C[NH3+])c(F)c1F ZINC000094272155 536738452 /nfs/dbraw/zinc/73/84/52/536738452.db2.gz CUTKGFGRANEFCZ-NXEZZACHSA-N 1 0 298.333 2.458 10 0 CEAERO COC(=O)c1ccc(N2[C@@H](C[NH3+])CCC[C@@H]2C)c(F)c1F ZINC000094272156 536738899 /nfs/dbraw/zinc/73/88/99/536738899.db2.gz CUTKGFGRANEFCZ-VHSXEESVSA-N 1 0 298.333 2.458 10 0 CEAERO COC[C@H]([NH2+][C@@H]1CC(=O)N(C)c2ccccc21)C(C)C ZINC000086682931 536879179 /nfs/dbraw/zinc/87/91/79/536879179.db2.gz AKOIRLOXIPVKPY-KGLIPLIRSA-N 1 0 276.380 2.355 10 0 CEAERO COc1cccc(N2CC[NH+](CC(C)(C)[C@@H](C)O)CC2)c1 ZINC000091405737 537123361 /nfs/dbraw/zinc/12/33/61/537123361.db2.gz OXPFGSOEKIELRE-CQSZACIVSA-N 1 0 292.423 2.224 10 0 CEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1sccc1Cl ZINC000309781302 538741881 /nfs/dbraw/zinc/74/18/81/538741881.db2.gz MYVQPZZHMFEAJX-CBAPKCEASA-N 1 0 258.774 2.158 10 0 CEAERO CC[C@H]1CN2CCCC[C@@H]2C[N@@H+]1CCOCC1CC1 ZINC000227599984 538763043 /nfs/dbraw/zinc/76/30/43/538763043.db2.gz XLMHFORZPCKFBB-JKSUJKDBSA-N 1 0 266.429 2.362 10 0 CEAERO Cc1cccc2c1C(=O)[C@@H]1[C@H]3CCC[N@@H+]3CC[C@H]1O2 ZINC000004098780 560196103 /nfs/dbraw/zinc/19/61/03/560196103.db2.gz DXTYYNIKCKARPP-UXIGCNINSA-N 1 0 257.333 2.423 10 0 in-vitro CEAERO Cc1ccc([C@@H]2C[NH2+]C[C@@H]2C(=O)OC(C)(C)C)o1 ZINC000757189458 574511821 /nfs/dbraw/zinc/51/18/21/574511821.db2.gz NVOCEWYMVYVAJW-MNOVXSKESA-N 1 0 251.326 2.233 10 0 CEAERO CC1(C)CC2(CC(C)(C)[NH2+]1)N[C@@H](C1CC1)CCO2 ZINC000757140875 574510192 /nfs/dbraw/zinc/51/01/92/574510192.db2.gz JONSFGKNZLOPLD-GFCCVEGCSA-N 1 0 252.402 2.412 10 0 CEAERO CC1(C)C[NH2+][C@]2(CCCSC2)O[C@]12CCOC2 ZINC000757144975 574510242 /nfs/dbraw/zinc/51/02/42/574510242.db2.gz NZRDIZLSLLWUAT-QWHCGFSZSA-N 1 0 257.399 2.015 10 0 CEAERO CN(CCC[C@@H](O)C[NH2+]C(C)(C)C)C(=O)OC(C)(C)C ZINC000757165919 574511202 /nfs/dbraw/zinc/51/12/02/574511202.db2.gz OVUZGJDCJAYJJY-GFCCVEGCSA-N 1 0 288.432 2.383 10 0 CEAERO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(Br)cc1C ZINC000757183521 574511600 /nfs/dbraw/zinc/51/16/00/574511600.db2.gz FELCAFBGMSIMGQ-VXGBXAGGSA-N 1 0 298.180 2.234 10 0 CEAERO CC(C)(C)OC(=O)CCc1nc(C2([NH3+])CCCC2)no1 ZINC000757183607 574511618 /nfs/dbraw/zinc/51/16/18/574511618.db2.gz QFMNPEMHFVZCPJ-UHFFFAOYSA-N 1 0 281.356 2.072 10 0 CEAERO C[C@H]([NH3+])[C@H]1COc2cccc(Br)c2C1 ZINC000675063769 570366091 /nfs/dbraw/zinc/36/60/91/570366091.db2.gz OJRXLRWCTUTSBJ-JGVFFNPUSA-N 1 0 256.143 2.347 10 0 CEAERO COC(=O)[C@@H]1C[N@H+](CCCOCc2ccccc2)C[C@@H]1C ZINC000309980638 625375206 /nfs/dbraw/zinc/37/52/06/625375206.db2.gz UTISOQMSXPPUGK-GOEBONIOSA-N 1 0 291.391 2.334 10 0 CEAERO C[C@H](O)CCN(C(=O)OC(C)(C)C)c1ccc(C[NH3+])nc1 ZINC000757132529 622801719 /nfs/dbraw/zinc/80/17/19/622801719.db2.gz BJHFXQJZXXAAFT-NSHDSACASA-N 1 0 295.383 2.053 10 0 CEAERO Cc1cccc(OCCCC(=O)N[C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000193636705 625600055 /nfs/dbraw/zinc/60/00/55/625600055.db2.gz HWIFNZPXMQUCDZ-GDBMZVCRSA-N 1 0 290.407 2.411 10 0 CEAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@@H]1c1cccs1 ZINC000757192301 622964930 /nfs/dbraw/zinc/96/49/30/622964930.db2.gz YENGQUYOXVKMAS-VHSXEESVSA-N 1 0 253.367 2.393 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cn1nc(C)sc1=S ZINC000177163211 625627294 /nfs/dbraw/zinc/62/72/94/625627294.db2.gz JXDPLRYHOWTREF-NSHDSACASA-N 1 0 286.470 2.356 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)CCOc1ccccc1Cl ZINC000193651699 625632247 /nfs/dbraw/zinc/63/22/47/625632247.db2.gz OVQCBCFVYDWIAU-YPMHNXCESA-N 1 0 296.798 2.366 10 0 CEAERO [NH3+][C@@H](C(=O)NCC1CCCCCCC1)C1CCOCC1 ZINC000261868421 623504278 /nfs/dbraw/zinc/50/42/78/623504278.db2.gz SSYKOKPBVFBEFM-OAHLLOKOSA-N 1 0 282.428 2.217 10 0 CEAERO C[C@@H](O)[C@@H](C)[NH2+]Cc1cscc1Br ZINC000308260699 623637465 /nfs/dbraw/zinc/63/74/65/623637465.db2.gz NENDLTFXGGDBSK-RNFRBKRXSA-N 1 0 264.188 2.370 10 0 CEAERO C[C@H]1CN(Cc2cccc(F)c2Br)C[C@@H]1[NH3+] ZINC000235667799 625705322 /nfs/dbraw/zinc/70/53/22/625705322.db2.gz MXTHDZJTSGFURQ-KWQFWETISA-N 1 0 287.176 2.367 10 0 CEAERO CC(C)[NH+]1CCN(C[C@H](O)c2cc3ccccc3o2)CC1 ZINC000044132751 624455367 /nfs/dbraw/zinc/45/53/67/624455367.db2.gz ZQZXIFLWJZAXEW-HNNXBMFYSA-N 1 0 288.391 2.492 10 0 CEAERO COc1sc(C[NH2+][C@@H](C)[C@H](C)O)cc1Br ZINC000309067383 624490422 /nfs/dbraw/zinc/49/04/22/624490422.db2.gz AUKISFHSHXPBGA-BQBZGAKWSA-N 1 0 294.214 2.378 10 0 CEAERO C[NH2+]CCc1noc(-c2ccc(Br)s2)n1 ZINC000051850812 624624386 /nfs/dbraw/zinc/62/43/86/624624386.db2.gz VVGDAZSAIOKDGS-UHFFFAOYSA-N 1 0 288.170 2.323 10 0 CEAERO CCOC1CC(CC(=O)N[C@H](CC(C)C)C[NH+](C)C)C1 ZINC000190272364 624744128 /nfs/dbraw/zinc/74/41/28/624744128.db2.gz UVLUCQCASMNQDS-SHARSMKWSA-N 1 0 284.444 2.284 10 0 CEAERO C[C@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2F)C[C@H]1[NH3+] ZINC000235650164 624757426 /nfs/dbraw/zinc/75/74/26/624757426.db2.gz UIIKTFHSPMRMOV-WRWORJQWSA-N 1 0 290.260 2.264 10 0 CEAERO OCCCCCCCN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000177778665 625884224 /nfs/dbraw/zinc/88/42/24/625884224.db2.gz FZPQSYAPSZOEMO-HNNXBMFYSA-N 1 0 254.418 2.099 10 0 CEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(F)cc1C ZINC000166532755 627641693 /nfs/dbraw/zinc/64/16/93/627641693.db2.gz BKKGWVKMPYMBOP-QWHCGFSZSA-N 1 0 251.301 2.000 10 0 CEAERO C[NH2+]C1(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)CCC1 ZINC000311529726 627673752 /nfs/dbraw/zinc/67/37/52/627673752.db2.gz FIPGTFALOFHBNC-VIFPVBQESA-N 1 0 268.307 2.284 10 0 CEAERO COC(=O)[C@@H]1CCC[N@H+](CCOc2ccc(C)cc2)C1 ZINC000066835575 628218463 /nfs/dbraw/zinc/21/84/63/628218463.db2.gz PSNSJBATSOGQKL-CQSZACIVSA-N 1 0 277.364 2.259 10 0 CEAERO Cc1cc(F)ccc1C(=O)N1C[C@@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000312943442 628565933 /nfs/dbraw/zinc/56/59/33/628565933.db2.gz GSNJJUAEPCBYJY-STQMWFEESA-N 1 0 276.355 2.158 10 0 CEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H]1COc2ccccc21 ZINC000195197820 628568896 /nfs/dbraw/zinc/56/88/96/628568896.db2.gz MWFNPEMLJUOUQZ-JSGCOSHPSA-N 1 0 291.395 2.150 10 0 CEAERO CCC[C@H]([NH3+])C(=O)NC[C@H](O)c1cc2ccccc2s1 ZINC000236876215 628680093 /nfs/dbraw/zinc/68/00/93/628680093.db2.gz KPIOWWZTVPFTJA-RYUDHWBXSA-N 1 0 292.404 2.178 10 0 CEAERO CC[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1C[C@@H]1CCCO1 ZINC000094432660 628714362 /nfs/dbraw/zinc/71/43/62/628714362.db2.gz AQHGKJFKKKSHGE-KFWWJZLASA-N 1 0 252.402 2.114 10 0 CEAERO [NH3+]C1CC(C(=O)Nc2cc(Br)ccc2F)C1 ZINC000258834435 628774490 /nfs/dbraw/zinc/77/44/90/628774490.db2.gz ZOXPLEDJUMPYKL-UHFFFAOYSA-N 1 0 287.132 2.264 10 0 CEAERO Cc1noc(C)c1N(C)C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000888095093 628863558 /nfs/dbraw/zinc/86/35/58/628863558.db2.gz OVVOIDDWURRPNZ-RYUDHWBXSA-N 1 0 265.357 2.162 10 0 CEAERO Cc1cccc([C@H](O)CN2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000094441075 628915469 /nfs/dbraw/zinc/91/54/69/628915469.db2.gz ZXTSKZWGAHNLIT-IAGOWNOFSA-N 1 0 274.408 2.199 10 0 CEAERO FC(F)c1nnc(N2CCC([C@H]3CCC[NH2+]3)CC2)s1 ZINC000261572973 628939850 /nfs/dbraw/zinc/93/98/50/628939850.db2.gz ALBWWGFNQSQXMM-SECBINFHSA-N 1 0 288.367 2.444 10 0 CEAERO CCc1nc(NC(=O)CC[C@H]2CCC[NH2+]2)sc1C ZINC000261578837 628941416 /nfs/dbraw/zinc/94/14/16/628941416.db2.gz PEQOKUONHKSATR-SNVBAGLBSA-N 1 0 267.398 2.485 10 0 CEAERO Cc1cccc(NC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000261617831 628948907 /nfs/dbraw/zinc/94/89/07/628948907.db2.gz UHVCKWOLJNIHDL-FPMFFAJLSA-N 1 0 259.353 2.196 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)c1c[nH]cc1-c1ccccc1 ZINC000261672035 628982311 /nfs/dbraw/zinc/98/23/11/628982311.db2.gz GWENNZKLSJXAQQ-LLVKDONJSA-N 1 0 257.337 2.019 10 0 CEAERO CCC[C@H]([NH3+])C(=O)Nc1cc(CC(C)(C)C)nn1C ZINC000236932497 629127393 /nfs/dbraw/zinc/12/73/93/629127393.db2.gz IEMSBPLBYRUMRX-NSHDSACASA-N 1 0 266.389 2.075 10 0 CEAERO CCOCC[N@@H+]1CCN(c2cccc(Cl)n2)C[C@H]1C ZINC000249202397 629148448 /nfs/dbraw/zinc/14/84/48/629148448.db2.gz ABQCOIQGIHKQAW-GFCCVEGCSA-N 1 0 283.803 2.282 10 0 CEAERO CC(=O)[C@@H]1CCCN(CC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000319864712 629408274 /nfs/dbraw/zinc/40/82/74/629408274.db2.gz APKFPULRSDNBJQ-IJEWVQPXSA-N 1 0 266.429 2.265 10 0 CEAERO C[C@H]1CN(Cc2cccc(OCC(F)(F)F)c2)C[C@H]1[NH3+] ZINC000262092162 629831759 /nfs/dbraw/zinc/83/17/59/629831759.db2.gz UVPIDKZYCGIVNG-GXFFZTMASA-N 1 0 288.313 2.407 10 0 CEAERO CC[C@H]1CC[C@H](C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000262278490 630597985 /nfs/dbraw/zinc/59/79/85/630597985.db2.gz UIAZBVFXNDLJGO-AAVRWANBSA-N 1 0 252.402 2.446 10 0 CEAERO FC(F)Oc1ccc(NC[C@@H]2CCC[NH2+]C2)nc1 ZINC000262283596 630605656 /nfs/dbraw/zinc/60/56/56/630605656.db2.gz UZFRIUHRHDHFHW-SECBINFHSA-N 1 0 257.284 2.095 10 0 CEAERO C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000252089878 631666948 /nfs/dbraw/zinc/66/69/48/631666948.db2.gz DLDKXVOWYHQNIO-RFGFWPKPSA-N 1 0 252.402 2.446 10 0 CEAERO CC(C)(C)OC(=O)Nc1ccc2c(cnn2CC[NH3+])c1 ZINC000757137335 631822559 /nfs/dbraw/zinc/82/25/59/631822559.db2.gz ZSJRGZXMRDTYDZ-UHFFFAOYSA-N 1 0 276.340 2.342 10 0 CEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(Cl)s1 ZINC000757185966 631829673 /nfs/dbraw/zinc/82/96/73/631829673.db2.gz CKZHDQSKPLASLE-JGVFFNPUSA-N 1 0 259.758 2.268 10 0 CEAERO CC[NH2+]CC(=O)N[C@H](C)c1ccccc1Br ZINC000044290795 638997446 /nfs/dbraw/zinc/99/74/46/638997446.db2.gz QSTDGBPGUMLANY-SECBINFHSA-N 1 0 285.185 2.236 10 0 CEAERO CCC[C@@H](C(=O)N(C)OCc1ccccc1)[NH+](C)C ZINC000164192651 639354096 /nfs/dbraw/zinc/35/40/96/639354096.db2.gz MXBICFLLPIPRRB-AWEZNQCLSA-N 1 0 264.369 2.307 10 0 CEAERO CC(C)C[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000165799185 639439353 /nfs/dbraw/zinc/43/93/53/639439353.db2.gz AQSLXMQVEZOCHP-GFCCVEGCSA-N 1 0 256.390 2.489 10 0 CEAERO CN1CCC[C@@H]1C[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000226016535 639519037 /nfs/dbraw/zinc/51/90/37/639519037.db2.gz FZJIVXXITAPSLS-KGLIPLIRSA-N 1 0 297.443 2.070 10 0 CEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(C)Cc1c(C)noc1C ZINC000046279914 639523364 /nfs/dbraw/zinc/52/33/64/639523364.db2.gz RWFGRMSOORFTCJ-NSHDSACASA-N 1 0 296.415 2.163 10 0 CEAERO Cc1cc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cnc1Cl ZINC000226354162 639537985 /nfs/dbraw/zinc/53/79/85/639537985.db2.gz NCRLJBCZCRSKOQ-RKDXNWHRSA-N 1 0 253.733 2.109 10 0 CEAERO Cc1ccc2c(CC(=O)N3CC[N@@H+]4CCC[C@@H]4C3)c[nH]c2c1 ZINC000171135380 639702818 /nfs/dbraw/zinc/70/28/18/639702818.db2.gz OYIQBBMOIJIOII-OAHLLOKOSA-N 1 0 297.402 2.325 10 0 CEAERO Cc1ccccc1CCC(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000061883627 639727206 /nfs/dbraw/zinc/72/72/06/639727206.db2.gz VKZIXQVAOOYCSE-LSDHHAIUSA-N 1 0 260.381 2.171 10 0 CEAERO CC1(C)OC[C@@H](C[NH2+][C@H]2CCc3c2cccc3O)O1 ZINC000230203688 639745850 /nfs/dbraw/zinc/74/58/50/639745850.db2.gz QXAHZQSHGBOPJW-MFKMUULPSA-N 1 0 263.337 2.121 10 0 CEAERO c1ccc2c(c1)C[C@@H](c1nc(C[C@@H]3CCC[NH2+]C3)no1)O2 ZINC000063084577 639823583 /nfs/dbraw/zinc/82/35/83/639823583.db2.gz GDHXQIZXHMHQFL-FZMZJTMJSA-N 1 0 285.347 2.288 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](c2nc(-c3ccc(O)c(F)c3)no2)C1 ZINC000232349344 639914493 /nfs/dbraw/zinc/91/44/93/639914493.db2.gz BESVBKBSEMRMIW-RKDXNWHRSA-N 1 0 263.272 2.176 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@H](C2CC2)C(C)(C)C)C1 ZINC000323966773 639956590 /nfs/dbraw/zinc/95/65/90/639956590.db2.gz HPOOJCACLSQUTH-ZIAGYGMSSA-N 1 0 254.418 2.121 10 0 CEAERO COCC[NH2+]CC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000232730895 640019221 /nfs/dbraw/zinc/01/92/21/640019221.db2.gz IVFAWDGNXJEASR-ZDUSSCGKSA-N 1 0 286.375 2.253 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000261595836 640063295 /nfs/dbraw/zinc/06/32/95/640063295.db2.gz OLELEAKJXHAZCB-SXVOREPOSA-N 1 0 262.397 2.151 10 0 CEAERO C[N@H+](C[C@H](O)c1cc2ccccc2o1)[C@H]1CCOC1 ZINC000250383121 640459018 /nfs/dbraw/zinc/45/90/18/640459018.db2.gz JRQNDXJGSOPURQ-STQMWFEESA-N 1 0 261.321 2.187 10 0 CEAERO CCCc1nsc(N[C@H](C[NH3+])C2CCCC2)n1 ZINC000233414300 641320441 /nfs/dbraw/zinc/32/04/41/641320441.db2.gz OHUKQYGVNNKGKX-SNVBAGLBSA-N 1 0 254.403 2.420 10 0 CEAERO COC(=O)C[C@H]([NH3+])c1ccc(Br)cc1C ZINC000238360836 641474167 /nfs/dbraw/zinc/47/41/67/641474167.db2.gz YTPLFQSBEFRXCJ-JTQLQIEISA-N 1 0 272.142 2.320 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000251472069 641564976 /nfs/dbraw/zinc/56/49/76/641564976.db2.gz VXELEPAIXDOFIQ-YJNKXOJESA-N 1 0 280.412 2.064 10 0 CEAERO COC[C@@H](C)C(=O)O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183190144 641717565 /nfs/dbraw/zinc/71/75/65/641717565.db2.gz JYVRPFZBCKLWEG-GDBMZVCRSA-N 1 0 291.391 2.477 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1Nc1ncccc1Br ZINC000084212810 642315975 /nfs/dbraw/zinc/31/59/75/642315975.db2.gz IVFUKDZVIAYOGC-SCZZXKLOSA-N 1 0 270.174 2.383 10 0 CEAERO Cc1cc2c(ncnc2N2CCCC[C@@H]2C[NH3+])s1 ZINC000111237567 643734431 /nfs/dbraw/zinc/73/44/31/643734431.db2.gz GYSYVUHSGQIINN-SNVBAGLBSA-N 1 0 262.382 2.317 10 0 CEAERO COC1CC([NH2+]Cc2occc2Br)C1 ZINC000230690915 643792365 /nfs/dbraw/zinc/79/23/65/643792365.db2.gz RTGDXXVILOWGQL-UHFFFAOYSA-N 1 0 260.131 2.309 10 0 CEAERO CCCCC[C@H](C)NC(=O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113270404 644310964 /nfs/dbraw/zinc/31/09/64/644310964.db2.gz DUKVBGNBXVFVOH-JYJNAYRXSA-N 1 0 295.471 2.240 10 0 CEAERO C[C@H]1CN(C(=S)NC2CCCCC2)C[C@H]1[NH+](C)C ZINC000123125172 648815703 /nfs/dbraw/zinc/81/57/03/648815703.db2.gz FKKSIYPKQLFEOD-WCQYABFASA-N 1 0 269.458 2.076 10 0 CEAERO C[C@@H]1CN(C(=S)NC2CCCCC2)C[C@@H]1[NH+](C)C ZINC000123124597 648815898 /nfs/dbraw/zinc/81/58/98/648815898.db2.gz FKKSIYPKQLFEOD-YPMHNXCESA-N 1 0 269.458 2.076 10 0 CEAERO CC[C@@](C)(O)C[N@H+](C)CCOc1ccccc1OC ZINC000123430897 648970779 /nfs/dbraw/zinc/97/07/79/648970779.db2.gz JTMLMXFCABATRA-OAHLLOKOSA-N 1 0 267.369 2.167 10 0 CEAERO OC1(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)CCCCC1 ZINC000128260853 651397476 /nfs/dbraw/zinc/39/74/76/651397476.db2.gz NCAVWGXOPSMMQL-ZBFHGGJFSA-N 1 0 267.413 2.309 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1sccc1Cl ZINC000129472872 651977510 /nfs/dbraw/zinc/97/75/10/651977510.db2.gz QMCCSBPKOQAHHN-IONNQARKSA-N 1 0 258.774 2.272 10 0 CEAERO CCC1CCC(c2noc(C[C@@H]3COCC[NH2+]3)n2)CC1 ZINC000129640494 652056263 /nfs/dbraw/zinc/05/62/63/652056263.db2.gz VAFZGVFLYZHGDK-WXRRBKDZSA-N 1 0 279.384 2.284 10 0 CEAERO COc1ncc(Cl)c(N[C@@H](C[NH3+])C2CCCCC2)n1 ZINC000130856650 652348945 /nfs/dbraw/zinc/34/89/45/652348945.db2.gz VXNVIMNLSSRQIG-NSHDSACASA-N 1 0 284.791 2.458 10 0 CEAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Cl)c1F ZINC000131072710 652374201 /nfs/dbraw/zinc/37/42/01/652374201.db2.gz XTGKZWCZGRQNRX-ULKQDVFKSA-N 1 0 282.746 2.492 10 0 CEAERO O=C(NC[C@@H]1CC[NH2+]C1)Nc1ccc(C(F)(F)F)cc1 ZINC000131863018 652474489 /nfs/dbraw/zinc/47/44/89/652474489.db2.gz OCMOVBMZBVPDJQ-SECBINFHSA-N 1 0 287.285 2.436 10 0 CEAERO CCc1cc2c(ncnc2NC[C@@H]2CC[NH2+]C2)s1 ZINC000133816191 652726676 /nfs/dbraw/zinc/72/66/76/652726676.db2.gz RRZKIZYRMJAISF-SECBINFHSA-N 1 0 262.382 2.275 10 0 CEAERO Cc1cccc(S(=O)(=O)CC[NH2+]C(C)(C)C)c1 ZINC000081986972 177913569 /nfs/dbraw/zinc/91/35/69/177913569.db2.gz CAZGWZQEYBHYOZ-UHFFFAOYSA-N 1 0 255.383 2.157 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(OC)c(C[S@@](=O)CCCOC)c1 ZINC000081998043 177916389 /nfs/dbraw/zinc/91/63/89/177916389.db2.gz IIGNBTOVQJRBCY-FKIZINRSSA-N 1 0 299.436 2.261 10 0 CEAERO COCCC[S@@](=O)[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH3+] ZINC000081999117 177916943 /nfs/dbraw/zinc/91/69/43/177916943.db2.gz OFKWRQZEFPYMNV-ASKKUZCQSA-N 1 0 295.448 2.435 10 0 CEAERO Cc1nc2ccccc2nc1CN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261630673 282084117 /nfs/dbraw/zinc/08/41/17/282084117.db2.gz FGLNTHCNBZTBOY-MRXNPFEDSA-N 1 0 284.407 2.497 10 0 CEAERO C[C@H]1CCCN(C(=O)CCC2CC[NH+](C)CC2)C1 ZINC000082319358 177963438 /nfs/dbraw/zinc/96/34/38/177963438.db2.gz UYJHUMGFMZXAHI-ZDUSSCGKSA-N 1 0 252.402 2.367 10 0 CEAERO C[C@@H]1CC(F)(F)CCN1C(=O)CC[C@H]1CCC[NH2+]1 ZINC000638630438 370644903 /nfs/dbraw/zinc/64/49/03/370644903.db2.gz MRFYVRFGSPLJED-GHMZBOCLSA-N 1 0 260.328 2.165 10 0 CEAERO O=C(Nc1ccnc(Cl)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000124468643 187138990 /nfs/dbraw/zinc/13/89/90/187138990.db2.gz SGJHOWLNKFWWOZ-GFCCVEGCSA-N 1 0 294.786 2.437 10 0 CEAERO CC(C)(C)OC(=O)N1CC[NH2+][C@@H](Cc2cccs2)C1 ZINC000095752777 185025856 /nfs/dbraw/zinc/02/58/56/185025856.db2.gz RKILWTDCSGLNHD-NSHDSACASA-N 1 0 282.409 2.500 10 0 CEAERO O=C([C@H]1CC1(F)F)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000336245277 365534701 /nfs/dbraw/zinc/53/47/01/365534701.db2.gz UGQZMWQCTGAPQK-VXGBXAGGSA-N 1 0 272.339 2.119 10 0 CEAERO Cn1nc(C[NH3+])cc1-c1cc(Br)cs1 ZINC000082577212 178117980 /nfs/dbraw/zinc/11/79/80/178117980.db2.gz FTGRSBLWURXPQC-UHFFFAOYSA-N 1 0 272.171 2.370 10 0 CEAERO CCCN(CC[NH3+])c1ccc(Br)cn1 ZINC000082592029 178125047 /nfs/dbraw/zinc/12/50/47/178125047.db2.gz ASCXOWPCWQYTJH-UHFFFAOYSA-N 1 0 258.163 2.019 10 0 CEAERO C[C@H]1CC[C@H](C(=O)NCCC[N@H+](C)Cc2ccccc2)O1 ZINC000124641590 187146988 /nfs/dbraw/zinc/14/69/88/187146988.db2.gz DAQOGKMAZGBEKN-GOEBONIOSA-N 1 0 290.407 2.192 10 0 CEAERO Cc1noc([C@@H]2C[C@@H]3CC[N@@H+](C4CCCC4)C[C@H]3O2)n1 ZINC000096042978 185070604 /nfs/dbraw/zinc/07/06/04/185070604.db2.gz MPNWYLWRNUJSCJ-FPMFFAJLSA-N 1 0 277.368 2.473 10 0 CEAERO O=C(c1cc2c(cc1Cl)OCCO2)[C@@H]1CCC[NH2+]1 ZINC000082722143 178237231 /nfs/dbraw/zinc/23/72/31/178237231.db2.gz HNKFPVNZXORTNE-JTQLQIEISA-N 1 0 267.712 2.046 10 0 CEAERO CC[C@@H]([NH3+])C[S@@](=O)c1ccccc1Br ZINC000082747341 178269275 /nfs/dbraw/zinc/26/92/75/178269275.db2.gz QQMHISREXVGKLY-CLAHSXSESA-N 1 0 276.199 2.294 10 0 CEAERO C[C@@H](C[NH3+])CS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000082789846 178295218 /nfs/dbraw/zinc/29/52/18/178295218.db2.gz GDUKFGJBPGIJAN-ZETCQYMHSA-N 1 0 282.192 2.362 10 0 CEAERO C[NH+](C)C[C@H]1CN(C(=O)CC2(C)CCCCC2)CCO1 ZINC000124244132 365648290 /nfs/dbraw/zinc/64/82/90/365648290.db2.gz XSSXEEMKVSBEOH-AWEZNQCLSA-N 1 0 282.428 2.136 10 0 CEAERO C[NH2+][C@@H](CO)CSc1ccccc1Br ZINC000082904660 178329678 /nfs/dbraw/zinc/32/96/78/178329678.db2.gz JAVJOTLEWHAFSI-QMMMGPOBSA-N 1 0 276.199 2.122 10 0 CEAERO C[C@](O)(C[NH3+])CCCSc1ccc(Cl)cn1 ZINC000082917627 178329686 /nfs/dbraw/zinc/32/96/86/178329686.db2.gz HIDIJVUJIQUPAX-LLVKDONJSA-N 1 0 260.790 2.317 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1c1nc2cc(Br)cnc2[nH]1 ZINC000082918571 178329909 /nfs/dbraw/zinc/32/99/09/178329909.db2.gz MXFIPQFBJBBAGW-YUMQZZPRSA-N 1 0 281.157 2.315 10 0 CEAERO [NH3+][C@@]1(Cc2ccc(Br)cc2F)CCOC1 ZINC000083186830 178351904 /nfs/dbraw/zinc/35/19/04/178351904.db2.gz GXADOPDDDIQBHT-LLVKDONJSA-N 1 0 274.133 2.249 10 0 CEAERO C[NH+](C)C[C@H]1CN(C(=O)C[C@@H]2CCCCC2(C)C)CCO1 ZINC000152082323 282136830 /nfs/dbraw/zinc/13/68/30/282136830.db2.gz UKYUGDAKOOBILI-GJZGRUSLSA-N 1 0 296.455 2.382 10 0 CEAERO Cc1ccc2n1CCN(C(=O)[C@@H]1CCCC[C@@H]1[NH3+])[C@H]2C ZINC000096837816 185116758 /nfs/dbraw/zinc/11/67/58/185116758.db2.gz WXBVFZNTDJJGRY-MJBXVCDLSA-N 1 0 275.396 2.217 10 0 CEAERO Cc1c2cccc(F)c2oc1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000621466426 349609416 /nfs/dbraw/zinc/60/94/16/349609416.db2.gz JCGIHKRATVNTCU-JTQLQIEISA-N 1 0 276.311 2.444 10 0 CEAERO C[NH2+]C[C@@H](O)c1cc(OC)c(C(C)C)cc1OC ZINC000096889947 185123701 /nfs/dbraw/zinc/12/37/01/185123701.db2.gz BBIYYMCPXZEEEY-GFCCVEGCSA-N 1 0 253.342 2.080 10 0 CEAERO CC(C)(C)OC(=O)NC[C@H]1CCC2(CC2)[C@@H]([NH3+])C1 ZINC000096958509 185141952 /nfs/dbraw/zinc/14/19/52/185141952.db2.gz FRFKAUJXCKDLFJ-QWRGUYRKSA-N 1 0 254.374 2.419 10 0 CEAERO Fc1ccc(-n2cncc2C2C[NH2+]C2)c(Cl)c1 ZINC000097007062 185150728 /nfs/dbraw/zinc/15/07/28/185150728.db2.gz LUTBAHAREMKMKN-UHFFFAOYSA-N 1 0 251.692 2.352 10 0 CEAERO Brc1ccccc1Cn1cncc1C1C[NH2+]C1 ZINC000097020930 185152780 /nfs/dbraw/zinc/15/27/80/185152780.db2.gz NWKNZRXOOXSYLR-UHFFFAOYSA-N 1 0 292.180 2.381 10 0 CEAERO CCC[NH2+]Cc1cc2cccc3c2n(c1=O)CCC3 ZINC000039287208 361987868 /nfs/dbraw/zinc/98/78/68/361987868.db2.gz FEJSJZORCXRDFE-UHFFFAOYSA-N 1 0 256.349 2.447 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)c1cscc1C(F)(F)F ZINC000621657397 349652779 /nfs/dbraw/zinc/65/27/79/349652779.db2.gz JOXKLGSMLRGZHQ-LURJTMIESA-N 1 0 266.288 2.105 10 0 CEAERO CN(C)[C@@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccco1 ZINC000085630160 282180960 /nfs/dbraw/zinc/18/09/60/282180960.db2.gz HUDRFYCDFBJUFA-VIRABCJISA-N 1 0 278.396 2.285 10 0 CEAERO COc1ccc([C@H](C)NC(=O)CC[NH2+]C2CC2)cc1OC ZINC000040491281 539218902 /nfs/dbraw/zinc/21/89/02/539218902.db2.gz OPNPHIBKAFZXLX-NSHDSACASA-N 1 0 292.379 2.023 10 0 CEAERO CC(C)(C)NC(=O)N1CCC[C@H]([C@@]23CC[C@H]2CC[NH2+]3)C1 ZINC000725263446 539212060 /nfs/dbraw/zinc/21/20/60/539212060.db2.gz HAQDBQQYQKLMGY-HEHGZKQESA-N 1 0 279.428 2.349 10 0 CEAERO CC(C)(C)NC(=O)N1CCC[C@H]([C@@]23CC[C@@H]2CC[NH2+]3)C1 ZINC000725263445 539212123 /nfs/dbraw/zinc/21/21/23/539212123.db2.gz HAQDBQQYQKLMGY-DVOMOZLQSA-N 1 0 279.428 2.349 10 0 CEAERO CCCCNC(=O)N[C@@H]1CCCC12CC[NH2+]CC2 ZINC000725264235 539212524 /nfs/dbraw/zinc/21/25/24/539212524.db2.gz QPKAENWAUXNQET-GFCCVEGCSA-N 1 0 253.390 2.008 10 0 CEAERO CC(C)[C@H](C)NC(=O)N1CC[C@]2([NH3+])CCCC[C@@H]12 ZINC000725264190 539212924 /nfs/dbraw/zinc/21/29/24/539212924.db2.gz GFKMYXNSYVOKDI-OUCADQQQSA-N 1 0 253.390 2.086 10 0 CEAERO CCC[C@H]1C[C@H]2CC[C@H]([NH+]3CCOCC3)[C@@H](C1)C2=O ZINC000725268125 539214464 /nfs/dbraw/zinc/21/44/64/539214464.db2.gz ABALYXMNAXJHQG-YJNKXOJESA-N 1 0 265.397 2.493 10 0 CEAERO C[C@@H](C(=O)N1C[C@@H](C)OC2(CC[NH2+]CC2)C1)C(C)(C)C ZINC000725272991 539215783 /nfs/dbraw/zinc/21/57/83/539215783.db2.gz XAEIMVAOZPVAGA-OLZOCXBDSA-N 1 0 282.428 2.038 10 0 CEAERO OCC[C@@H]1CC[N@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000219786879 539253693 /nfs/dbraw/zinc/25/36/93/539253693.db2.gz PDNWZCJIAUTZCE-KBPBESRZSA-N 1 0 261.365 2.257 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[C@@]23CCc2ccccc23)C1 ZINC000175980550 282200248 /nfs/dbraw/zinc/20/02/48/282200248.db2.gz GCZOFRBUPJOCJB-QGPMSJSTSA-N 1 0 284.403 2.053 10 0 CEAERO CCC(CC)NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247404189 282203822 /nfs/dbraw/zinc/20/38/22/282203822.db2.gz POBYLCGZACHLCV-YPMHNXCESA-N 1 0 253.390 2.053 10 0 CEAERO [NH3+]C[C@@H]1CCCN1CCSc1ccc(F)cc1 ZINC000131837008 539263938 /nfs/dbraw/zinc/26/39/38/539263938.db2.gz VFNMTJZPSBGGPX-LBPRGKRZSA-N 1 0 254.374 2.341 10 0 CEAERO CC(C)c1nsc(N2CCC[C@@H](C)[C@@H]2C[NH3+])n1 ZINC000227061827 539267760 /nfs/dbraw/zinc/26/77/60/539267760.db2.gz XVEGMVNRSRRWNT-ZJUUUORDSA-N 1 0 254.403 2.225 10 0 CEAERO CC(C)(CNC(=O)[C@H]1CCC[C@H]1[NH3+])c1cccs1 ZINC000126230775 187225878 /nfs/dbraw/zinc/22/58/78/187225878.db2.gz JQDBGSUWBVOTSW-WDEREUQCSA-N 1 0 266.410 2.269 10 0 CEAERO CC[C@H]([NH2+][C@@H]1CCN(C(C)C)C1=O)[C@@H]1CC1(C)C ZINC000414107225 529658155 /nfs/dbraw/zinc/65/81/55/529658155.db2.gz YKTRDOCLAHJIFJ-RWMBFGLXSA-N 1 0 252.402 2.410 10 0 CEAERO C[C@H](NC(=O)C(C)(C)[NH3+])c1ccccc1Br ZINC000040921429 362009334 /nfs/dbraw/zinc/00/93/34/362009334.db2.gz OXRGROPUZXZIMR-QMMMGPOBSA-N 1 0 285.185 2.364 10 0 CEAERO COCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC000042337297 362083890 /nfs/dbraw/zinc/08/38/90/362083890.db2.gz ZZZIHGQWJMYVQG-KBPBESRZSA-N 1 0 278.396 2.187 10 0 CEAERO [NH3+]CC1(CCNc2ncccc2Br)CC1 ZINC000395892826 539293320 /nfs/dbraw/zinc/29/33/20/539293320.db2.gz IGUQCIYFDYMMSB-UHFFFAOYSA-N 1 0 270.174 2.385 10 0 CEAERO C[C@@]1(O)CCN(Cc2cccc(F)c2)C[C@H]1[NH+]1CCCC1 ZINC000097942665 539304137 /nfs/dbraw/zinc/30/41/37/539304137.db2.gz KJKZSXNPNAGYMS-IAGOWNOFSA-N 1 0 292.398 2.247 10 0 CEAERO C[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)COC(C)(C)C ZINC000046342795 362180725 /nfs/dbraw/zinc/18/07/25/362180725.db2.gz ZXPPRBJQTGUDIO-CQSZACIVSA-N 1 0 269.360 2.434 10 0 CEAERO C[C@H]([NH2+]Cc1cnc2ccccc2n1)[C@H]1CCCO1 ZINC000037242473 343426682 /nfs/dbraw/zinc/42/66/82/343426682.db2.gz ROWDGWUBARXETF-XHDPSFHLSA-N 1 0 257.337 2.287 10 0 CEAERO Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCC[C@@H](O)C2)o1 ZINC000037321346 343426706 /nfs/dbraw/zinc/42/67/06/343426706.db2.gz CFGCUCREYLPPTE-CHWSQXEVSA-N 1 0 275.352 2.371 10 0 CEAERO O[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-n3ccnc3)cc2)C1 ZINC000037321167 343426717 /nfs/dbraw/zinc/42/67/17/343426717.db2.gz IMQVRBTZYANTST-GOEBONIOSA-N 1 0 271.364 2.265 10 0 CEAERO Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCC[C@H](O)C2)o1 ZINC000037321344 343426777 /nfs/dbraw/zinc/42/67/77/343426777.db2.gz CFGCUCREYLPPTE-OLZOCXBDSA-N 1 0 275.352 2.371 10 0 CEAERO CN(Cc1ccc(F)c(F)c1)C(=O)C1CCC([NH3+])CC1 ZINC000037806004 343431600 /nfs/dbraw/zinc/43/16/00/343431600.db2.gz PFYDSVYDPBFBOO-UHFFFAOYSA-N 1 0 282.334 2.441 10 0 CEAERO Clc1cccc(NCC[NH2+][C@H]2CN3CCC2CC3)c1 ZINC000038956741 343434817 /nfs/dbraw/zinc/43/48/17/343434817.db2.gz XYOIJBNAAKEXEN-HNNXBMFYSA-N 1 0 279.815 2.436 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](c2nc(Cc3ccccc3Cl)no2)C1 ZINC000044265616 343469368 /nfs/dbraw/zinc/46/93/68/343469368.db2.gz XOQPTZKQOWJMFB-ZYHUDNBSSA-N 1 0 293.754 2.363 10 0 CEAERO C[C@@H](C[NH3+])Nc1ccnc2cc(Br)cnc21 ZINC000128361591 365785591 /nfs/dbraw/zinc/78/55/91/365785591.db2.gz IDTGGXXTUOUALG-ZETCQYMHSA-N 1 0 281.157 2.151 10 0 CEAERO COC(=O)C[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000057567214 343633244 /nfs/dbraw/zinc/63/32/44/343633244.db2.gz FVAZUAIJCSWSTJ-SECBINFHSA-N 1 0 272.142 2.055 10 0 CEAERO CCc1nc(CN(C)C(=O)[C@H]2CCC[C@H]2C[NH3+])cs1 ZINC000328493605 539351490 /nfs/dbraw/zinc/35/14/90/539351490.db2.gz TVQLNOJRAWFLTD-JQWIXIFHSA-N 1 0 281.425 2.039 10 0 CEAERO Cc1cc(N[C@H]2CCN(C)C2=O)c2cc(F)ccc2[nH+]1 ZINC000126935937 187271851 /nfs/dbraw/zinc/27/18/51/187271851.db2.gz IQZBYYRLVZRQIY-ZDUSSCGKSA-N 1 0 273.311 2.325 10 0 CEAERO COc1cccc([C@H](CNC(=O)N[C@H]2C[C@@H]2C)[NH+](C)C)c1 ZINC000076051964 343878113 /nfs/dbraw/zinc/87/81/13/343878113.db2.gz SWTVMLNNAKRLSS-CQDKDKBSSA-N 1 0 291.395 2.006 10 0 CEAERO Cc1noc(-c2ccnc(NC[C@H](C3CC3)[NH+](C)C)c2)n1 ZINC000091481358 344165011 /nfs/dbraw/zinc/16/50/11/344165011.db2.gz DVDAMPSMCYUVGX-CYBMUJFWSA-N 1 0 287.367 2.192 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)NC[C@H]2CCC[N@H+](C)C2)o1 ZINC000108542606 344265811 /nfs/dbraw/zinc/26/58/11/344265811.db2.gz YZJWVBHWHQFCMJ-CHWSQXEVSA-N 1 0 279.384 2.290 10 0 CEAERO CN(C[C@H]([NH3+])Cc1ccccc1)C(=O)OC(C)(C)C ZINC000116445642 344286872 /nfs/dbraw/zinc/28/68/72/344286872.db2.gz RJMUEHMBOAVHHB-CYBMUJFWSA-N 1 0 264.369 2.423 10 0 CEAERO CC(C)Oc1cncc(NC[C@]2(C)CCC[NH2+]C2)n1 ZINC000129287032 344342354 /nfs/dbraw/zinc/34/23/54/344342354.db2.gz JLGWSWTUIHFIHJ-CQSZACIVSA-N 1 0 264.373 2.065 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]Cc2cccc(OC(C)C)c2)C1 ZINC000134435134 344374110 /nfs/dbraw/zinc/37/41/10/344374110.db2.gz DZKKOQFCTQWQJG-KRWDZBQOSA-N 1 0 292.423 2.284 10 0 CEAERO CC[C@@H](CC[NH+](CC)CC)NS(=O)(=O)c1ccccc1 ZINC000141502755 344401438 /nfs/dbraw/zinc/40/14/38/344401438.db2.gz HACSHQRHBYSDPD-AWEZNQCLSA-N 1 0 298.452 2.475 10 0 CEAERO COc1ccc(CC[C@@H](O)[C@H]2CCC[N@@H+]2C)c(OC)c1 ZINC000145266293 344408670 /nfs/dbraw/zinc/40/86/70/344408670.db2.gz KENRXKRYFIDJRD-HUUCEWRRSA-N 1 0 279.380 2.092 10 0 CEAERO COC(=O)c1ccc(N[C@H]2CCCC[C@H]2C[NH3+])nc1C ZINC000147687961 344412644 /nfs/dbraw/zinc/41/26/44/344412644.db2.gz YVXLGVWIMLDMFD-AAEUAGOBSA-N 1 0 277.368 2.106 10 0 CEAERO [NH3+][C@H]1CCO[C@@H]1c1ccc(Br)c(F)c1 ZINC000162031784 344466359 /nfs/dbraw/zinc/46/63/59/344466359.db2.gz ZNYBJLHADOIIBV-VHSXEESVSA-N 1 0 260.106 2.377 10 0 CEAERO OC1(C[NH2+]C[C@H]2CSc3ccccc32)CCOCC1 ZINC000162336247 344467637 /nfs/dbraw/zinc/46/76/37/344467637.db2.gz QYCNWIPLODZENQ-LBPRGKRZSA-N 1 0 279.405 2.007 10 0 CEAERO CC(C)(C)[NH2+]Cc1cc(Br)cnc1N ZINC000166266711 344475867 /nfs/dbraw/zinc/47/58/67/344475867.db2.gz MDVNRKMOVBDFKA-UHFFFAOYSA-N 1 0 258.163 2.314 10 0 CEAERO CC[NH+]1CCN(c2cc(C)c3cc(N)ccc3n2)CC1 ZINC000168698680 344480905 /nfs/dbraw/zinc/48/09/05/344480905.db2.gz KCTWLQGNSLMOGU-UHFFFAOYSA-N 1 0 270.380 2.267 10 0 CEAERO C[C@H]1C[C@H]1NC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000170839413 344491630 /nfs/dbraw/zinc/49/16/30/344491630.db2.gz GDEDKELKCZUUSP-UONOGXRCSA-N 1 0 267.417 2.206 10 0 CEAERO C[C@@H]1CC[NH2+]C[C@@H]1Oc1nc(Br)cs1 ZINC000230205856 344571472 /nfs/dbraw/zinc/57/14/72/344571472.db2.gz LSTLNWFPQJXJTR-RQJHMYQMSA-N 1 0 277.187 2.282 10 0 CEAERO CC(C)(C)OC(=O)N=c1[nH]c2c(s1)C[NH2+]CC2 ZINC000218201007 344536406 /nfs/dbraw/zinc/53/64/06/344536406.db2.gz RSWCVLWNHPQGTE-UHFFFAOYSA-N 1 0 255.343 2.136 10 0 CEAERO C[C@@H]([NH3+])CCNc1ncc(Br)cc1F ZINC000235157430 344589829 /nfs/dbraw/zinc/58/98/29/344589829.db2.gz RMWFTWDSTATQPE-ZCFIWIBFSA-N 1 0 262.126 2.132 10 0 CEAERO Brc1ccc(OC[C@H]2CCCC[NH2+]2)nc1 ZINC000051883454 362443288 /nfs/dbraw/zinc/44/32/88/362443288.db2.gz UHRHGENPTLAWHL-SNVBAGLBSA-N 1 0 271.158 2.365 10 0 CEAERO [NH3+]Cc1nccc(Br)c1OC(F)(F)F ZINC000238609803 344607038 /nfs/dbraw/zinc/60/70/38/344607038.db2.gz WJBVWPQEWZTESQ-UHFFFAOYSA-N 1 0 271.036 2.201 10 0 CEAERO [NH3+][C@H](CCO)c1cccc(Br)c1Cl ZINC000238676197 344607729 /nfs/dbraw/zinc/60/77/29/344607729.db2.gz VHUQVFBBIBCDER-MRVPVSSYSA-N 1 0 264.550 2.485 10 0 CEAERO Cc1ccc(I)cc1N[C@H](C)C[NH3+] ZINC000300885651 344701935 /nfs/dbraw/zinc/70/19/35/344701935.db2.gz ATQKOFYDSFIUJI-MRVPVSSYSA-N 1 0 290.148 2.359 10 0 CEAERO [NH3+]CCNc1c(F)cc(F)cc1Br ZINC000306396830 344713273 /nfs/dbraw/zinc/71/32/73/344713273.db2.gz SZIXKCWCZOSDMV-UHFFFAOYSA-N 1 0 251.074 2.098 10 0 CEAERO [NH3+][C@@H]1CCCN(Cc2ccsc2Br)C1 ZINC000306531467 344714143 /nfs/dbraw/zinc/71/41/43/344714143.db2.gz AODCIGWDAUHNOG-SECBINFHSA-N 1 0 275.215 2.434 10 0 CEAERO C[C@@H]1C[NH2+][C@H](CCN2C(=O)c3ccccc3C2=O)[C@@H](C)C1 ZINC000306610366 344715656 /nfs/dbraw/zinc/71/56/56/344715656.db2.gz KWSCHSPYDOKMFV-SLEUVZQESA-N 1 0 286.375 2.307 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1OCc1coc(Br)c1 ZINC000306676510 344716166 /nfs/dbraw/zinc/71/61/66/344716166.db2.gz WHBFVPBSFYJYLN-BDAKNGLRSA-N 1 0 260.131 2.439 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1OCc1coc(Br)c1 ZINC000306676513 344716182 /nfs/dbraw/zinc/71/61/82/344716182.db2.gz WHBFVPBSFYJYLN-RKDXNWHRSA-N 1 0 260.131 2.439 10 0 CEAERO OC1CC([NH2+]Cc2cscc2Br)C1 ZINC000306725505 344716967 /nfs/dbraw/zinc/71/69/67/344716967.db2.gz KMZISYZIFYKAFD-UHFFFAOYSA-N 1 0 262.172 2.124 10 0 CEAERO C[C@H]([NH3+])[C@](C)(O)c1cscc1Br ZINC000306906843 344718269 /nfs/dbraw/zinc/71/82/69/344718269.db2.gz CJBJOVIXNJBGKS-XNCJUZBTSA-N 1 0 250.161 2.065 10 0 CEAERO NC(=[NH2+])SCc1ncc(Br)s1 ZINC000306958124 344718882 /nfs/dbraw/zinc/71/88/82/344718882.db2.gz VBZDHEHUIIJORK-UHFFFAOYSA-N 1 0 252.162 2.032 10 0 CEAERO Cc1cccnc1C[N@H+](C)C[C@@H]1CCc2nccn2C1 ZINC000328623648 344756679 /nfs/dbraw/zinc/75/66/79/344756679.db2.gz CAMCKNROJIJVAB-AWEZNQCLSA-N 1 0 270.380 2.281 10 0 CEAERO [NH3+][C@@H](Cc1ccc(F)cc1Br)[C@H]1CCOC1 ZINC000083716439 178722920 /nfs/dbraw/zinc/72/29/20/178722920.db2.gz SORQVXGWDMDNLP-CABZTGNLSA-N 1 0 288.160 2.495 10 0 CEAERO CCC[C@@H]([NH2+]C[C@H]1CN(CC)CCO1)C1CCC1 ZINC000322868279 539407673 /nfs/dbraw/zinc/40/76/73/539407673.db2.gz VNMKLXPCPQZGBQ-LSDHHAIUSA-N 1 0 254.418 2.266 10 0 CEAERO Cc1nc(N2CCC(CC[NH3+])CC2)c(Cl)cc1C#N ZINC000388966158 344834895 /nfs/dbraw/zinc/83/48/95/344834895.db2.gz NVZJGOCHFTVBDV-UHFFFAOYSA-N 1 0 278.787 2.480 10 0 CEAERO COc1cc(N[C@H]2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1C ZINC000382468726 344826209 /nfs/dbraw/zinc/82/62/09/344826209.db2.gz OJKZKLBKARTVCR-MNOVXSKESA-N 1 0 279.340 2.451 10 0 CEAERO CCOC(=O)c1cnc(N(C)C[C@H]2CCC[N@@H+]2CC)s1 ZINC000383588259 344827270 /nfs/dbraw/zinc/82/72/70/344827270.db2.gz BUJMGEAWULWPSO-LLVKDONJSA-N 1 0 297.424 2.240 10 0 CEAERO [NH3+]CCC[S@](=O)c1ccc(Cl)c(Cl)c1 ZINC000083867394 178755622 /nfs/dbraw/zinc/75/56/22/178755622.db2.gz CUJGPYSWTUDEDA-CQSZACIVSA-N 1 0 252.166 2.450 10 0 CEAERO C[C@@H]([NH2+]C1CCN(CCO)CC1)c1ccc(Cl)cc1 ZINC000399009665 344856188 /nfs/dbraw/zinc/85/61/88/344856188.db2.gz WRWAUYDCFFWIMP-GFCCVEGCSA-N 1 0 282.815 2.447 10 0 CEAERO C[C@H](NC1CC[NH+](CCO)CC1)c1cc(F)ccc1F ZINC000399247327 344858083 /nfs/dbraw/zinc/85/80/83/344858083.db2.gz KKQVMYZMQBXRBO-NSHDSACASA-N 1 0 284.350 2.072 10 0 CEAERO C[C@H](NC1CC[NH+](CCO)CC1)c1ccc(F)cc1F ZINC000399278046 344858120 /nfs/dbraw/zinc/85/81/20/344858120.db2.gz WPESCLMTRBMSPX-NSHDSACASA-N 1 0 284.350 2.072 10 0 CEAERO CC(C)(C)c1csc(CN2CC[C@@H]3OCC[NH2+][C@@H]3C2)n1 ZINC000403985950 344877543 /nfs/dbraw/zinc/87/75/43/344877543.db2.gz CBNQILSRHSNGNC-NEPJUHHUSA-N 1 0 295.452 2.003 10 0 CEAERO C[NH2+][C@H](C[S@@](=O)c1cc(C)ccc1C)C1CC1 ZINC000083998913 178769339 /nfs/dbraw/zinc/76/93/39/178769339.db2.gz JSALVSXJBMKZHN-DYVFJYSZSA-N 1 0 251.395 2.409 10 0 CEAERO COc1ccc([S@@](=O)[C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000084002441 178770217 /nfs/dbraw/zinc/77/02/17/178770217.db2.gz POEGJAWJNVWVER-DEYYWGMASA-N 1 0 267.394 2.463 10 0 CEAERO CC[NH2+][C@H](CC)C[S@](=O)c1cc(F)ccc1F ZINC000084037248 178776240 /nfs/dbraw/zinc/77/62/40/178776240.db2.gz XSHQTEHNOCPICP-BMLIUANNSA-N 1 0 261.337 2.461 10 0 CEAERO Cn1cc(C[NH2+]CCO)c2cc(C(F)(F)F)cc(F)c21 ZINC000584603078 344962911 /nfs/dbraw/zinc/96/29/11/344962911.db2.gz LOSXKMPVNZCTJE-UHFFFAOYSA-N 1 0 290.260 2.418 10 0 CEAERO Cc1c2c(ccc1N1CCC3(C1)CC[NH2+]CC3)C(=O)OC2 ZINC000584613294 344965398 /nfs/dbraw/zinc/96/53/98/344965398.db2.gz CHOXCXRTWSNFRT-UHFFFAOYSA-N 1 0 286.375 2.245 10 0 CEAERO C[NH+](C)C[C@H]1COc2ccccc2[C@@]1(O)c1ccccc1 ZINC000584626318 344968174 /nfs/dbraw/zinc/96/81/74/344968174.db2.gz SLCBSKKXXYOQMP-MAUKXSAKSA-N 1 0 283.371 2.493 10 0 CEAERO NC(=O)[C@@H]([NH3+])CSC(c1ccccc1)c1ccccc1 ZINC000584645811 344972577 /nfs/dbraw/zinc/97/25/77/344972577.db2.gz HLZJRKODRNWSLX-AWEZNQCLSA-N 1 0 286.400 2.322 10 0 CEAERO CCOC[C@H]([NH3+])Cc1cccc(Br)c1 ZINC000084063949 178783583 /nfs/dbraw/zinc/78/35/83/178783583.db2.gz NXWJSHCFHRLDAW-LLVKDONJSA-N 1 0 258.159 2.355 10 0 CEAERO CCOC[C@H](O)CSc1cccc([C@H](C)[NH3+])c1 ZINC000084122239 178797302 /nfs/dbraw/zinc/79/73/02/178797302.db2.gz CREVXBJNVLKEFC-JQWIXIFHSA-N 1 0 255.383 2.196 10 0 CEAERO COCC[NH2+]C[C@H](C)Cc1ccc2c(c1)OCCCO2 ZINC000084141437 178800213 /nfs/dbraw/zinc/80/02/13/178800213.db2.gz KLLMFJWIWZZKMR-CYBMUJFWSA-N 1 0 279.380 2.263 10 0 CEAERO [NH3+]CCCc1nc2ccccc2n1C[C@H]1CCCO1 ZINC000053994566 362503125 /nfs/dbraw/zinc/50/31/25/362503125.db2.gz PCJCRIMNPZBFLV-GFCCVEGCSA-N 1 0 259.353 2.107 10 0 CEAERO Cc1ccc(F)cc1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054290308 362522045 /nfs/dbraw/zinc/52/20/45/362522045.db2.gz GWCUSBDLSGFIFV-NSHDSACASA-N 1 0 250.317 2.462 10 0 CEAERO CCN(CC)c1ccc(NC(=O)C[C@@H]2CCC[NH2+]C2)cn1 ZINC000054306962 362525363 /nfs/dbraw/zinc/52/53/63/362525363.db2.gz YGICSRQGMVGFID-ZDUSSCGKSA-N 1 0 290.411 2.256 10 0 CEAERO COC(=O)c1cccc(NC(=O)C[C@@H]2CCC[NH2+]C2)c1C ZINC000054307072 362525471 /nfs/dbraw/zinc/52/54/71/362525471.db2.gz UIVWMVHJZHZJMD-LBPRGKRZSA-N 1 0 290.363 2.110 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)N1CCC[C@@H]1c1ccncc1 ZINC000054306191 362525703 /nfs/dbraw/zinc/52/57/03/362525703.db2.gz BBGBENKMKFUEIV-DZGCQCFKSA-N 1 0 273.380 2.135 10 0 CEAERO COc1ccc(F)cc1[C@H](C)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054307395 362526231 /nfs/dbraw/zinc/52/62/31/362526231.db2.gz QCLOUUKCMAJDDQ-NWDGAFQWSA-N 1 0 294.370 2.401 10 0 CEAERO COC(=O)c1cccnc1CN(C)CCOC(C)(C)C ZINC000590953950 345204365 /nfs/dbraw/zinc/20/43/65/345204365.db2.gz RKOZIOTWWMOHBU-UHFFFAOYSA-N 1 0 280.368 2.115 10 0 CEAERO CCn1nc(C)c(Br)c1CC[C@@H](C)[NH3+] ZINC000084278740 178841861 /nfs/dbraw/zinc/84/18/61/178841861.db2.gz FHAORLMHOWZVRJ-SSDOTTSWSA-N 1 0 260.179 2.254 10 0 CEAERO C[C@H](NC(=O)COC1CC[NH2+]CC1)c1ccccc1Cl ZINC000111796961 232198652 /nfs/dbraw/zinc/19/86/52/232198652.db2.gz SAUDOWKMRZMGAW-NSHDSACASA-N 1 0 296.798 2.286 10 0 CEAERO Cc1nn(C(C)C)c(N[C@@H](C[NH+](C)C)C(C)C)c1N ZINC000097144742 185547268 /nfs/dbraw/zinc/54/72/68/185547268.db2.gz PCODNPYLUAWVOP-LBPRGKRZSA-N 1 0 267.421 2.353 10 0 CEAERO CC(C)n1ccc(C[C@](C)(O)C[NH2+]C(C)(C)C)n1 ZINC000097210649 185564920 /nfs/dbraw/zinc/56/49/20/185564920.db2.gz XWMYMVVIMAVLTI-AWEZNQCLSA-N 1 0 253.390 2.146 10 0 CEAERO COCC[NH2+]C[C@](C)(O)Cc1ccc(C(F)(F)F)cc1 ZINC000097241418 185572035 /nfs/dbraw/zinc/57/20/35/185572035.db2.gz YUKJASUKSVSPIR-CYBMUJFWSA-N 1 0 291.313 2.235 10 0 CEAERO CC[NH2+][C@H](CCc1ccncc1)Cc1cc(C)nn1C ZINC000097273457 185575556 /nfs/dbraw/zinc/57/55/56/185575556.db2.gz WPKBGUMNGMHRQY-OAHLLOKOSA-N 1 0 272.396 2.277 10 0 CEAERO C[NH2+][C@@H](CCc1ccco1)Cc1ncnn1CC(C)C ZINC000097278351 185577826 /nfs/dbraw/zinc/57/78/26/185577826.db2.gz FMLAGDGQASYCTD-ZDUSSCGKSA-N 1 0 276.384 2.290 10 0 CEAERO CCn1ncnc1C[C@@H]([NH3+])c1cc(C)nc2ccccc21 ZINC000097280363 185577962 /nfs/dbraw/zinc/57/79/62/185577962.db2.gz DIQMLNHPWBLOBH-CQSZACIVSA-N 1 0 281.363 2.397 10 0 CEAERO C[NH2+][C@@H](CSc1cccc(F)c1)Cc1cnn(C)c1 ZINC000097323617 185584648 /nfs/dbraw/zinc/58/46/48/185584648.db2.gz HCEMZGSNCHENMN-CYBMUJFWSA-N 1 0 279.384 2.482 10 0 CEAERO Cn1ccc(C[C@H]([NH3+])[C@@H]2CSc3ccccc32)n1 ZINC000097380308 185595097 /nfs/dbraw/zinc/59/50/97/185595097.db2.gz QRMOOLNUWZDNTG-OLZOCXBDSA-N 1 0 259.378 2.179 10 0 CEAERO CCOc1cncc([C@H]([NH2+]C)c2cc(C)nn2CC)c1 ZINC000097381441 185595232 /nfs/dbraw/zinc/59/52/32/185595232.db2.gz FAFAXXHZNBNSJZ-HNNXBMFYSA-N 1 0 274.368 2.314 10 0 CEAERO CCC[NH2+][C@H](CCOCCC)Cc1ccn(C)n1 ZINC000097380277 185595314 /nfs/dbraw/zinc/59/53/14/185595314.db2.gz BNNIUGYLYCHZRZ-CYBMUJFWSA-N 1 0 253.390 2.148 10 0 CEAERO COc1ccc([C@H](C)NC(=O)CC(C)(C)[NH3+])cc1OC ZINC000084183789 539501415 /nfs/dbraw/zinc/50/14/15/539501415.db2.gz PQFJLMJDFGIGLC-JTQLQIEISA-N 1 0 280.368 2.008 10 0 CEAERO CCC[NH2+]C[C@H](O)Cc1ccc(Br)cc1F ZINC000084993111 178941523 /nfs/dbraw/zinc/94/15/23/178941523.db2.gz KFIJHWNBWVVXFE-LLVKDONJSA-N 1 0 290.176 2.491 10 0 CEAERO C[NH2+]CC[C@@](C)(O)Cc1cc(F)ccc1Br ZINC000084997642 178941580 /nfs/dbraw/zinc/94/15/80/178941580.db2.gz NCEORYADHNKKJZ-GFCCVEGCSA-N 1 0 290.176 2.491 10 0 CEAERO CC(C)([NH3+])[C@@H](CCO)c1ccccc1OC(F)F ZINC000097434521 185602814 /nfs/dbraw/zinc/60/28/14/185602814.db2.gz BXYNRXRHDALVTP-JTQLQIEISA-N 1 0 259.296 2.491 10 0 CEAERO CCN(CC)CC[NH2+][C@]1(CO)C[C@@H](C)CC[C@@H]1C ZINC000085114522 178951177 /nfs/dbraw/zinc/95/11/77/178951177.db2.gz AYFFZXRICFFLPI-KKUMJFAQSA-N 1 0 256.434 2.105 10 0 CEAERO CCN(CC)CC[NH2+][C@@]1(CO)CCC[C@H](C)[C@@H]1C ZINC000085114529 178951311 /nfs/dbraw/zinc/95/13/11/178951311.db2.gz HZXBDAPMPSMNDK-SOUVJXGZSA-N 1 0 256.434 2.105 10 0 CEAERO C[NH2+][C@H](Cc1cccc(OC)c1F)c1cc(C)nn1C ZINC000097415563 185599310 /nfs/dbraw/zinc/59/93/10/185599310.db2.gz WEBOCOXMYVRESJ-GFCCVEGCSA-N 1 0 277.343 2.379 10 0 CEAERO CC[C@H]([NH3+])[C@@](C)(CC(=O)OC)c1cccc(OC)c1 ZINC000097432464 185602103 /nfs/dbraw/zinc/60/21/03/185602103.db2.gz OFPSTJNVQATNBY-ZFWWWQNUSA-N 1 0 265.353 2.253 10 0 CEAERO CSCC[C@H](C)NC(=O)C1CCC(C[NH3+])CC1 ZINC000097467484 185611402 /nfs/dbraw/zinc/61/14/02/185611402.db2.gz AMMZAKDPHCHKAM-UNXYVOJBSA-N 1 0 258.431 2.009 10 0 CEAERO CC[NH2+][C@H](CO)CCN(C)c1ccc(CC)cc1 ZINC000085214854 178978745 /nfs/dbraw/zinc/97/87/45/178978745.db2.gz CMIDTPKQXYFNGT-AWEZNQCLSA-N 1 0 250.386 2.046 10 0 CEAERO CC[NH2+][C@@](CO)(CN(C)c1ccccc1F)C1CC1 ZINC000085214801 178978733 /nfs/dbraw/zinc/97/87/33/178978733.db2.gz MKLFEKCSIBOBID-OAHLLOKOSA-N 1 0 266.360 2.013 10 0 CEAERO CCN(C[C@H](CO)[NH2+]C(C)C)c1cccc(F)c1 ZINC000085242029 178984298 /nfs/dbraw/zinc/98/42/98/178984298.db2.gz GAQGBSKHULERRM-CYBMUJFWSA-N 1 0 254.349 2.011 10 0 CEAERO C[C@@H]1CC[C@H](C[NH3+])CN1c1ncnc2c1CCCCC2 ZINC000094888170 136514740 /nfs/dbraw/zinc/51/47/40/136514740.db2.gz SMMQCRMLTIHNDK-CHWSQXEVSA-N 1 0 274.412 2.309 10 0 CEAERO CC[NH+](CC)C(C)(C)[C@H](NN)c1cc(OC)cc(OC)c1 ZINC000097580958 185630258 /nfs/dbraw/zinc/63/02/58/185630258.db2.gz QPUHHFQDBLFIGP-OAHLLOKOSA-N 1 0 295.427 2.329 10 0 CEAERO C[NH2+][C@](CO)(COC1CCCCC1)c1ccccc1 ZINC000085282681 179000421 /nfs/dbraw/zinc/00/04/21/179000421.db2.gz SKQUUUSMFDGQAK-MRXNPFEDSA-N 1 0 263.381 2.443 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)CCCCOCC(F)(F)F ZINC000085282840 179000898 /nfs/dbraw/zinc/00/08/98/179000898.db2.gz QFBDUKDLUHHRGX-NSHDSACASA-N 1 0 271.323 2.485 10 0 CEAERO CCC[NH2+][C@](C)(CO)COc1ccc(OCC)cc1 ZINC000085283388 179001477 /nfs/dbraw/zinc/00/14/77/179001477.db2.gz DAJBAZWYLHIYTQ-OAHLLOKOSA-N 1 0 267.369 2.215 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)CCOc1ccccc1F ZINC000085284453 179002281 /nfs/dbraw/zinc/00/22/81/179002281.db2.gz UFWQBHOBTNSIMB-CQSZACIVSA-N 1 0 255.333 2.344 10 0 CEAERO Cc1nn(CCC[C@@](C)(CO)[NH2+]C(C)C)c(C)c1C ZINC000085264005 178993997 /nfs/dbraw/zinc/99/39/97/178993997.db2.gz JJLDSCZHFONOHW-HNNXBMFYSA-N 1 0 267.417 2.338 10 0 CEAERO CCCc1ccc(OCC[C@](C)(CO)[NH2+]C)cc1 ZINC000085265097 178995406 /nfs/dbraw/zinc/99/54/06/178995406.db2.gz FRUGJPOURWLGHZ-OAHLLOKOSA-N 1 0 251.370 2.378 10 0 CEAERO CC(C)[NH2+][C@H](CO)CO[C@@H]1CCCc2ccccc21 ZINC000085269803 178997733 /nfs/dbraw/zinc/99/77/33/178997733.db2.gz HTLHPCOVGWOPNS-GDBMZVCRSA-N 1 0 263.381 2.440 10 0 CEAERO CCC[NH2+][C@@H](CO)CO[C@H]1CCCc2ccccc21 ZINC000085269716 178997831 /nfs/dbraw/zinc/99/78/31/178997831.db2.gz ZBCNUUZNAGTSAU-HOCLYGCPSA-N 1 0 263.381 2.441 10 0 CEAERO CC(C)[NH2+][C@H](CO)CO[C@H]1CCCc2ccccc21 ZINC000085269806 178997876 /nfs/dbraw/zinc/99/78/76/178997876.db2.gz HTLHPCOVGWOPNS-ZBFHGGJFSA-N 1 0 263.381 2.440 10 0 CEAERO C[C@@H](C[C@](C)(CO)[NH2+]C1CC1)Oc1cccc(F)c1 ZINC000085285493 179003663 /nfs/dbraw/zinc/00/36/63/179003663.db2.gz JUNPGLAHPOSBEJ-XHDPSFHLSA-N 1 0 267.344 2.486 10 0 CEAERO CCc1ccccc1OC[C@](C)(CO)[NH2+]C(C)C ZINC000085286411 179003790 /nfs/dbraw/zinc/00/37/90/179003790.db2.gz RWGLBCKXLHCMHK-HNNXBMFYSA-N 1 0 251.370 2.377 10 0 CEAERO CC[NH2+][C@](CO)(COc1ccccc1CC)C1CC1 ZINC000085286368 179003995 /nfs/dbraw/zinc/00/39/95/179003995.db2.gz UFQSCCVBIRRUBP-MRXNPFEDSA-N 1 0 263.381 2.378 10 0 CEAERO C[NH2+][C@@](C)(CO)CCOc1cc(C)cc(C)c1C ZINC000085286098 179004039 /nfs/dbraw/zinc/00/40/39/179004039.db2.gz ZTCZVWHFNCPLGK-OAHLLOKOSA-N 1 0 251.370 2.351 10 0 CEAERO CCCOc1ccc(OCC[C@@](C)(CO)[NH2+]C)cc1 ZINC000085286181 179004121 /nfs/dbraw/zinc/00/41/21/179004121.db2.gz XJVNZGIARIGGRK-HNNXBMFYSA-N 1 0 267.369 2.215 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCOc1ccccc1CC ZINC000085286448 179004263 /nfs/dbraw/zinc/00/42/63/179004263.db2.gz PFVWCGNBJZEOJF-OAHLLOKOSA-N 1 0 251.370 2.378 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCCSc1nccc(C)n1 ZINC000085287871 179004471 /nfs/dbraw/zinc/00/44/71/179004471.db2.gz LBVSIFZEXAAJQR-CYBMUJFWSA-N 1 0 269.414 2.018 10 0 CEAERO CC[NH2+][C@@](C)(CO)C[C@@H](C)Oc1ccc(F)c(F)c1 ZINC000085286762 179004608 /nfs/dbraw/zinc/00/46/08/179004608.db2.gz WWNPRTKPXXZLTJ-QMTHXVAHSA-N 1 0 273.323 2.483 10 0 CEAERO C[C@H]1CC[C@@H](OC[C@@](C)(CO)[NH2+]C2CC2)C[C@@H]1C ZINC000085287143 179004813 /nfs/dbraw/zinc/00/48/13/179004813.db2.gz XTHBBJDIRVGDSV-DDHJSBNISA-N 1 0 255.402 2.331 10 0 CEAERO CC[NH2+][C@](C)(CO)C[C@H](C)Sc1nccc(C)n1 ZINC000085287891 179005520 /nfs/dbraw/zinc/00/55/20/179005520.db2.gz YNCKYFGZVHINKK-AAEUAGOBSA-N 1 0 269.414 2.016 10 0 CEAERO COCCCS[C@H](C)C[C@@](C)(CO)[NH2+]C1CC1 ZINC000085290016 179005805 /nfs/dbraw/zinc/00/58/05/179005805.db2.gz OETCPMCRHKXTAF-YPMHNXCESA-N 1 0 261.431 2.038 10 0 CEAERO CC[NH2+][C@@H](CO)CCSc1cccc(OC)c1 ZINC000085291065 179006805 /nfs/dbraw/zinc/00/68/05/179006805.db2.gz ZNYTZHRRNKWXEY-LLVKDONJSA-N 1 0 255.383 2.148 10 0 CEAERO COc1ccc(SC[C@H](CO)[NH2+]C(C)C)cc1 ZINC000085291853 179007029 /nfs/dbraw/zinc/00/70/29/179007029.db2.gz HSXKFXOQNGULCZ-NSHDSACASA-N 1 0 255.383 2.146 10 0 CEAERO C[NH2+][C@@](C)(CO)CCSc1nc2ccccc2[nH]1 ZINC000085291694 179007347 /nfs/dbraw/zinc/00/73/47/179007347.db2.gz KLUFNFRRIPCOAJ-CYBMUJFWSA-N 1 0 265.382 2.016 10 0 CEAERO C[C@@H](C[C@](C)([NH3+])CO)Sc1nc2ccccc2o1 ZINC000085292364 179007885 /nfs/dbraw/zinc/00/78/85/179007885.db2.gz YIQFTKYUZYJNED-ZANVPECISA-N 1 0 266.366 2.408 10 0 CEAERO CC[NH2+][C@@H](CO)CCSc1ccc(F)c(F)c1 ZINC000085298025 179009235 /nfs/dbraw/zinc/00/92/35/179009235.db2.gz ZFXLFBHQQHEKAG-SECBINFHSA-N 1 0 261.337 2.417 10 0 CEAERO Cc1nn(CCCC[C@@](C)(O)C[NH3+])c(C)c1Cl ZINC000085304404 179011522 /nfs/dbraw/zinc/01/15/22/179011522.db2.gz NTNZFRFMTPWCPU-GFCCVEGCSA-N 1 0 259.781 2.033 10 0 CEAERO C[C@](O)(C[NH3+])CCCn1ccnc1-c1cccs1 ZINC000085304883 179012079 /nfs/dbraw/zinc/01/20/79/179012079.db2.gz RXNZJHWOXSNEEP-CYBMUJFWSA-N 1 0 265.382 2.102 10 0 CEAERO Cc1cc(C)c(C)c(O[C@@H](C)C[C@@](C)(O)C[NH3+])c1 ZINC000085307375 179012392 /nfs/dbraw/zinc/01/23/92/179012392.db2.gz WJZHRTFEIRWXQN-SWLSCSKDSA-N 1 0 251.370 2.479 10 0 CEAERO [NH3+]C[C@@](O)(COc1ccccc1F)c1ccccc1 ZINC000085306907 179012848 /nfs/dbraw/zinc/01/28/48/179012848.db2.gz WBVLOXGEEVQFJO-OAHLLOKOSA-N 1 0 261.296 2.051 10 0 CEAERO Cc1ccc2[nH]c(SC[C@](O)(C[NH3+])C3CC3)nc2c1 ZINC000085307943 179013184 /nfs/dbraw/zinc/01/31/84/179013184.db2.gz CEKMWEBKPUFYRC-CQSZACIVSA-N 1 0 277.393 2.063 10 0 CEAERO COc1cccc(S[C@H](C)C[C@](C)(O)C[NH3+])c1 ZINC000085308355 179013214 /nfs/dbraw/zinc/01/32/14/179013214.db2.gz JCSBDPDHRYFGDT-MFKMUULPSA-N 1 0 255.383 2.276 10 0 CEAERO Cc1ccccc1CSC[C@@](O)(C[NH3+])C1CC1 ZINC000085308111 179013323 /nfs/dbraw/zinc/01/33/23/179013323.db2.gz PKFUEPIPDDAZMH-AWEZNQCLSA-N 1 0 251.395 2.328 10 0 CEAERO Cc1ccc(SC[C@@](O)(C[NH3+])C2CC2)cc1C ZINC000085308605 179013333 /nfs/dbraw/zinc/01/33/33/179013333.db2.gz NZEREQRAIYFFBH-AWEZNQCLSA-N 1 0 251.395 2.495 10 0 CEAERO [NH3+]CCCSCc1nc(-c2cccs2)no1 ZINC000085316214 179013867 /nfs/dbraw/zinc/01/38/67/179013867.db2.gz UYESRWBKEWYIEI-UHFFFAOYSA-N 1 0 255.368 2.380 10 0 CEAERO COc1cc(-c2noc([C@@H]3CCCC[C@@H]3[NH3+])n2)ccc1O ZINC000085325245 179017917 /nfs/dbraw/zinc/01/79/17/179017917.db2.gz BVQSELQDKWLDSW-MNOVXSKESA-N 1 0 289.335 2.436 10 0 CEAERO Cc1ccccc1CN(C)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085358694 179031221 /nfs/dbraw/zinc/03/12/21/179031221.db2.gz LRNQWYLNJIAOKQ-GJZGRUSLSA-N 1 0 260.381 2.471 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)N(Cc1ccccc1)C1CC1 ZINC000085358758 179031352 /nfs/dbraw/zinc/03/13/52/179031352.db2.gz BTTCQJFFXYMHSQ-GJZGRUSLSA-N 1 0 258.365 2.305 10 0 CEAERO CN(Cc1ccccc1F)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085358716 179031414 /nfs/dbraw/zinc/03/14/14/179031414.db2.gz JJENDLLDNRGHDF-GXTWGEPZSA-N 1 0 264.344 2.302 10 0 CEAERO COc1ccc(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])cc1F ZINC000085358293 179031519 /nfs/dbraw/zinc/03/15/19/179031519.db2.gz LGMXSMJBUOXURD-ZYHUDNBSSA-N 1 0 266.316 2.290 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000085361360 179032936 /nfs/dbraw/zinc/03/29/36/179032936.db2.gz VSNBLBUHCUBRGB-CABCVRRESA-N 1 0 284.363 2.328 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)Nc1ccccc1N1CCCC1 ZINC000085360958 179033113 /nfs/dbraw/zinc/03/31/13/179033113.db2.gz AUNVGZGAVPLDAD-QWHCGFSZSA-N 1 0 273.380 2.353 10 0 CEAERO COC(=O)c1cccc(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])c1C ZINC000085362420 179034079 /nfs/dbraw/zinc/03/40/79/179034079.db2.gz GUQSAMFICZYKQT-CHWSQXEVSA-N 1 0 290.363 2.238 10 0 CEAERO COc1cc(C)c(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])cc1OC ZINC000085362599 179034159 /nfs/dbraw/zinc/03/41/59/179034159.db2.gz HMHLEIROVUGFLB-VXGBXAGGSA-N 1 0 292.379 2.468 10 0 CEAERO c1csc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000105905201 136528196 /nfs/dbraw/zinc/52/81/96/136528196.db2.gz WFSKXAXOTNMSOJ-GFCCVEGCSA-N 1 0 274.393 2.297 10 0 CEAERO CSc1ccc(CN(C)C(=O)[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000085366675 179037158 /nfs/dbraw/zinc/03/71/58/179037158.db2.gz GLNHTTKJONDIOW-UONOGXRCSA-N 1 0 278.421 2.494 10 0 CEAERO CN(CCOc1ccc(Cl)cc1)C(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085366729 179037213 /nfs/dbraw/zinc/03/72/13/179037213.db2.gz LELCHXDISIDIJV-UONOGXRCSA-N 1 0 296.798 2.305 10 0 CEAERO CN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085367987 179037431 /nfs/dbraw/zinc/03/74/31/179037431.db2.gz KKIWIKUBIQJWEC-FZMZJTMJSA-N 1 0 282.334 2.441 10 0 CEAERO CCN(Cc1ccco1)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085368441 179038078 /nfs/dbraw/zinc/03/80/78/179038078.db2.gz RLCKWUGSGYKIEO-STQMWFEESA-N 1 0 250.342 2.146 10 0 CEAERO CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085368797 179038497 /nfs/dbraw/zinc/03/84/97/179038497.db2.gz FWUROERHZUPXSA-SMDDNHRTSA-N 1 0 282.334 2.441 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)N(Cc1ccsc1)C1CC1 ZINC000085370546 179040659 /nfs/dbraw/zinc/04/06/59/179040659.db2.gz MAKATYAXAADBGU-CHWSQXEVSA-N 1 0 264.394 2.367 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000085370694 179040857 /nfs/dbraw/zinc/04/08/57/179040857.db2.gz NNUBJDDFSXIIMB-ZIAGYGMSSA-N 1 0 287.363 2.101 10 0 CEAERO CC(C)n1ncc2cc(NC(=O)[C@@H]3CCC[C@H]3[NH3+])cnc21 ZINC000085371381 179041087 /nfs/dbraw/zinc/04/10/87/179041087.db2.gz KJZCRLBINYMQSS-CHWSQXEVSA-N 1 0 287.367 2.078 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1ccc(-c2nnco2)cc1 ZINC000085370988 179041418 /nfs/dbraw/zinc/04/14/18/179041418.db2.gz SLZAEJFRMOMPCF-OLZOCXBDSA-N 1 0 286.335 2.193 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)Nc1nc(C2CC2)cs1 ZINC000085372578 179042466 /nfs/dbraw/zinc/04/24/66/179042466.db2.gz PVTONEJVHPUHHP-IUCAKERBSA-N 1 0 251.355 2.086 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](CC(C)C)C(=O)N(C)C)C1(C)C ZINC000085381551 179045430 /nfs/dbraw/zinc/04/54/30/179045430.db2.gz FLFHLRRNBVJEEF-MELADBBJSA-N 1 0 284.444 2.283 10 0 CEAERO COCCOc1cc(C)ccc1NC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085365983 179036332 /nfs/dbraw/zinc/03/63/32/179036332.db2.gz VUYJLWOQRZAUDL-QWHCGFSZSA-N 1 0 292.379 2.086 10 0 CEAERO COc1cccc([C@H](C)NC(=O)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000085365554 179036357 /nfs/dbraw/zinc/03/63/57/179036357.db2.gz FHJFMICYXZEZFN-CQDKDKBSSA-N 1 0 276.380 2.390 10 0 CEAERO O=C(Nc1ccc(Cl)c2cccnc12)[C@@H]1CC[NH2+]C1 ZINC000062114305 362707352 /nfs/dbraw/zinc/70/73/52/362707352.db2.gz LFRHIXYEMGILAA-SECBINFHSA-N 1 0 275.739 2.436 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](CN(C)C)C(C)C)C1(C)C ZINC000085397869 179050360 /nfs/dbraw/zinc/05/03/60/179050360.db2.gz WWEGHORDAXBGNS-MELADBBJSA-N 1 0 256.434 2.366 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CC[NH2+]C1)c1cccc(Br)c1 ZINC000062113239 362707450 /nfs/dbraw/zinc/70/74/50/362707450.db2.gz FFVVLUKELUDSIV-GXSJLCMTSA-N 1 0 297.196 2.236 10 0 CEAERO CCc1ccc(CN2CC[NH2+][C@H](C3CC3)C2)s1 ZINC000085434811 179060880 /nfs/dbraw/zinc/06/08/80/179060880.db2.gz AODNWJPFZRAGAP-AWEZNQCLSA-N 1 0 250.411 2.494 10 0 CEAERO CCC[C@@H]1CN(Cc2ccc(OC)c(F)c2)CC[NH2+]1 ZINC000085434707 179060918 /nfs/dbraw/zinc/06/09/18/179060918.db2.gz NLXXFYSPEDQGPE-CYBMUJFWSA-N 1 0 266.360 2.408 10 0 CEAERO [NH3+]Cc1cnnn1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000062238786 362714548 /nfs/dbraw/zinc/71/45/48/362714548.db2.gz IWENPHLEYYCJAM-UHFFFAOYSA-N 1 0 276.649 2.398 10 0 CEAERO CC[C@H](C)[C@H]1CN(CCOc2ccccc2)CC[NH2+]1 ZINC000085449677 179064298 /nfs/dbraw/zinc/06/42/98/179064298.db2.gz UTHRNTBBSUTRCN-GOEBONIOSA-N 1 0 262.397 2.385 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@H](C(C)C)CN1Cc1cnn(C)c1 ZINC000085468093 179073066 /nfs/dbraw/zinc/07/30/66/179073066.db2.gz ZFCFDGOECMOLBM-GJZGRUSLSA-N 1 0 264.417 2.019 10 0 CEAERO CCC[C@@H]1C[NH2+]C(C)(C)CN1CCn1ccnc1C ZINC000085469562 179074828 /nfs/dbraw/zinc/07/48/28/179074828.db2.gz PCTTUXRLJPLZNQ-CQSZACIVSA-N 1 0 264.417 2.044 10 0 CEAERO CCC[C@@H]1CN[C@H](C(C)C)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085450849 179065643 /nfs/dbraw/zinc/06/56/43/179065643.db2.gz CAPZPRMJOHJYAX-ZNMIVQPWSA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@@H](C)[C@H]1C[NH2+]CCN1CCOCCC(C)C ZINC000085452706 179066046 /nfs/dbraw/zinc/06/60/46/179066046.db2.gz CBBOTTGUFFPEHV-HUUCEWRRSA-N 1 0 256.434 2.369 10 0 CEAERO CCC1(CC)CNCC[N@@H+]1[C@H]1CCC[C@H](OC)C1 ZINC000085452165 179066129 /nfs/dbraw/zinc/06/61/29/179066129.db2.gz VXORXYJARWSFBO-KBPBESRZSA-N 1 0 254.418 2.408 10 0 CEAERO CC[C@H](C)[C@@H]1C[NH2+]CCN1CCOc1ccccc1 ZINC000085452709 179066443 /nfs/dbraw/zinc/06/64/43/179066443.db2.gz RYYYOAMRAWOTPQ-HOCLYGCPSA-N 1 0 262.397 2.385 10 0 CEAERO CC[C@H](C)[C@H]1C[NH2+]CCN1Cc1ccn(C(C)C)n1 ZINC000085452869 179066494 /nfs/dbraw/zinc/06/64/94/179066494.db2.gz CXRPMBUJAPVVNG-DZGCQCFKSA-N 1 0 264.417 2.284 10 0 CEAERO CCC[C@H]1CN[C@@H](C)C[N@@H+]1CCCOCC(F)(F)F ZINC000085453521 179066676 /nfs/dbraw/zinc/06/66/76/179066676.db2.gz URHJHHYWVNAVSJ-RYUDHWBXSA-N 1 0 282.350 2.418 10 0 CEAERO CCC[C@H]1CN(Cc2cnn(C)c2)[C@@H](CCC)C[NH2+]1 ZINC000085455183 179067996 /nfs/dbraw/zinc/06/79/96/179067996.db2.gz GIIKCLASIKKYSP-GJZGRUSLSA-N 1 0 264.417 2.163 10 0 CEAERO CC(C)[C@@H]1CN[C@H](C(C)(C)C)C[N@@H+]1[C@@H]1CCOC1 ZINC000085475912 179078949 /nfs/dbraw/zinc/07/89/49/179078949.db2.gz QBIYMUUANPLLKR-RDBSUJKOSA-N 1 0 254.418 2.120 10 0 CEAERO CC(C)C[C@H]1CN(C[C@@H]2CCCO2)C(C)(C)C[NH2+]1 ZINC000085488448 179081021 /nfs/dbraw/zinc/08/10/21/179081021.db2.gz WYCAWDUAJZQUFS-KBPBESRZSA-N 1 0 254.418 2.264 10 0 CEAERO CC[C@@H](C)[C@@H]1C[N@H+](C[C@@H]2CCOC2)[C@H](C(C)C)CN1 ZINC000085491589 179081245 /nfs/dbraw/zinc/08/12/45/179081245.db2.gz SLDPTHFLNKSIHQ-UGUYLWEFSA-N 1 0 268.445 2.367 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@H](C2CC2)CN1Cc1ccccn1 ZINC000085523492 179088773 /nfs/dbraw/zinc/08/87/73/179088773.db2.gz ZAULLFZXYPMGIM-HZPDHXFCSA-N 1 0 259.397 2.434 10 0 CEAERO CC[C@@]1(C)CN[C@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085515331 179086411 /nfs/dbraw/zinc/08/64/11/179086411.db2.gz JFXMTURUUYVSER-BPUTZDHNSA-N 1 0 266.429 2.266 10 0 CEAERO CC[C@H](C)[C@H]1CN[C@@](C)(C2CC2)C[N@@H+]1CCn1cccn1 ZINC000085512783 179086457 /nfs/dbraw/zinc/08/64/57/179086457.db2.gz XXEBCAYXRJLPGF-USXIJHARSA-N 1 0 290.455 2.372 10 0 CEAERO CC(C)OCCN1C[C@](C)(C2CC2)[NH2+]C[C@@H]1C1CC1 ZINC000085513514 179087043 /nfs/dbraw/zinc/08/70/43/179087043.db2.gz MTCIFBJJNKAKOZ-HZPDHXFCSA-N 1 0 266.429 2.264 10 0 CEAERO CCC1(CC)CN(CCOCCOC)[C@H](C(C)C)C[NH2+]1 ZINC000085518141 179087967 /nfs/dbraw/zinc/08/79/67/179087967.db2.gz WKTSDOCJOUNRKN-HNNXBMFYSA-N 1 0 286.460 2.138 10 0 CEAERO CC(C)[C@H]1CN[C@H](C2CC2)C[N@@H+]1CC1CCOCC1 ZINC000085524654 179088441 /nfs/dbraw/zinc/08/84/41/179088441.db2.gz QRTDIFMPILYEJH-JKSUJKDBSA-N 1 0 266.429 2.121 10 0 CEAERO CCC[C@H]1CN[C@](C)(CC)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085495068 179082374 /nfs/dbraw/zinc/08/23/74/179082374.db2.gz IQMPHDQJCHSUSE-SOUVJXGZSA-N 1 0 254.418 2.408 10 0 CEAERO CC[C@@H](C)[C@@H]1C[N@H+](C[C@@H]2CCOC2)[C@H](C2CC2)CN1 ZINC000085492247 179082558 /nfs/dbraw/zinc/08/25/58/179082558.db2.gz CGOFXWBVVZCHBZ-VRKREXBASA-N 1 0 266.429 2.121 10 0 CEAERO CC[C@H](C)[C@@H]1C[N@H+](C[C@@H]2CCOC2)C(C)(C)CN1 ZINC000085493068 179082636 /nfs/dbraw/zinc/08/26/36/179082636.db2.gz VUYMROMTNSNCHG-IHRRRGAJSA-N 1 0 254.418 2.121 10 0 CEAERO CCOCC[N@@H+]1C[C@@H](c2ccccc2)NC[C@@H]1CC ZINC000085505043 179084092 /nfs/dbraw/zinc/08/40/92/179084092.db2.gz UVHBXZQSMRICJF-HOTGVXAUSA-N 1 0 262.397 2.448 10 0 CEAERO COCC[N@@H+]1C[C@@H](c2ccccc2)NC[C@@H]1C1CC1 ZINC000085507089 179084541 /nfs/dbraw/zinc/08/45/41/179084541.db2.gz ACMNNCICFZBNOV-JKSUJKDBSA-N 1 0 260.381 2.058 10 0 CEAERO CO[C@@H]1CCC[C@@H]([N@@H+]2C[C@H](C3CC3)NC[C@@H]2C2CC2)C1 ZINC000085526400 179089218 /nfs/dbraw/zinc/08/92/18/179089218.db2.gz WHDBDNFQKUYSAA-QBPKDAKJSA-N 1 0 278.440 2.406 10 0 CEAERO COCCC[N@@H+]1C[C@@H](C2CC2)NC[C@@H]1C(C)(C)C ZINC000085526623 179089396 /nfs/dbraw/zinc/08/93/96/179089396.db2.gz LTTVHRKTKUMKCU-UONOGXRCSA-N 1 0 254.418 2.121 10 0 CEAERO CC1(C)C[NH2+][C@@H](C2CC2)CN1CCC(F)(F)F ZINC000085527834 179090867 /nfs/dbraw/zinc/09/08/67/179090867.db2.gz KJTXLVQLVLCIMD-SNVBAGLBSA-N 1 0 250.308 2.401 10 0 CEAERO Cc1nccn1CCN1C[C@@H](C2CC2)[NH2+]CC12CCCC2 ZINC000085529080 179091000 /nfs/dbraw/zinc/09/10/00/179091000.db2.gz GLIGBVLAABZJEI-INIZCTEOSA-N 1 0 288.439 2.188 10 0 CEAERO CCC1(CC)C[NH2+][C@H](C2CC2)CN1[C@@H]1CCOC1 ZINC000085528860 179091058 /nfs/dbraw/zinc/09/10/58/179091058.db2.gz QBYKUFXMZPQNJI-KGLIPLIRSA-N 1 0 252.402 2.018 10 0 CEAERO CCn1cc(CN2C[C@@H](C3CC3)[NH2+]C[C@@]2(C)C2CC2)cn1 ZINC000085529437 179091312 /nfs/dbraw/zinc/09/13/12/179091312.db2.gz TUVNBJQAIPOQMG-IRXDYDNUSA-N 1 0 288.439 2.256 10 0 CEAERO C[C@H]1C[NH2+][C@@H](C2CCCCC2)CN1C[C@@H]1CCCO1 ZINC000085529675 179091390 /nfs/dbraw/zinc/09/13/90/179091390.db2.gz OUHPQCCIXKKKHO-CWRNSKLLSA-N 1 0 266.429 2.408 10 0 CEAERO C[C@@]1(C2CC2)CN[C@H](C2CC2)C[N@@H+]1CCCn1ccnc1 ZINC000085529331 179091399 /nfs/dbraw/zinc/09/13/99/179091399.db2.gz WISYGTCZQQGSGF-IRXDYDNUSA-N 1 0 288.439 2.126 10 0 CEAERO C[C@@]1(C2CC2)C[NH2+][C@@H](C2CC2)CN1Cc1ccncc1 ZINC000085529499 179091539 /nfs/dbraw/zinc/09/15/39/179091539.db2.gz KRFXRDZQEXJXBJ-SJORKVTESA-N 1 0 271.408 2.434 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C2CCCCC2)CN1CCOC ZINC000085529976 179091551 /nfs/dbraw/zinc/09/15/51/179091551.db2.gz PHPLYQMGDCCCMR-HUUCEWRRSA-N 1 0 254.418 2.266 10 0 CEAERO COCCN1C[C@H](C2CCCCC2)[NH2+]CC1(C)C ZINC000085531104 179091567 /nfs/dbraw/zinc/09/15/67/179091567.db2.gz XJEJKFNQZFSZNF-CQSZACIVSA-N 1 0 254.418 2.266 10 0 CEAERO C[C@H]1C[NH2+][C@@](C)(c2ccccc2)CN1CC(F)F ZINC000085531602 179091773 /nfs/dbraw/zinc/09/17/73/179091773.db2.gz CHUHRFTYHJMDLN-SMDDNHRTSA-N 1 0 254.324 2.461 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C2CCCCC2)CN1[C@@H]1CCOC1 ZINC000085529890 179091931 /nfs/dbraw/zinc/09/19/31/179091931.db2.gz AWFJBYLPGPUZNC-ARFHVFGLSA-N 1 0 266.429 2.408 10 0 CEAERO CSCc1noc(-c2csc([C@H](C)[NH3+])n2)n1 ZINC000085546994 179093071 /nfs/dbraw/zinc/09/30/71/179093071.db2.gz DMYBFDBIZPYNQX-YFKPBYRVSA-N 1 0 256.356 2.076 10 0 CEAERO Cc1ccc(F)c(OCCCC[C@@](C)(O)C[NH3+])c1 ZINC000085565294 179095400 /nfs/dbraw/zinc/09/54/00/179095400.db2.gz JPGBWFWYVOIVSC-CQSZACIVSA-N 1 0 255.333 2.393 10 0 CEAERO CCc1nc2c(n1-c1cc(F)c(F)c(F)c1)CC[NH2+]C2 ZINC000085571085 179096588 /nfs/dbraw/zinc/09/65/88/179096588.db2.gz HXZNDDSYCONASM-UHFFFAOYSA-N 1 0 281.281 2.498 10 0 CEAERO CC(C)(C)c1nc2c(n1[C@H]1CCCOC1)CC[NH2+]C2 ZINC000085571730 179097085 /nfs/dbraw/zinc/09/70/85/179097085.db2.gz CCBDFJMSQHREPG-NSHDSACASA-N 1 0 263.385 2.178 10 0 CEAERO CCn1cc(CN2C[C@](C)(C3CC3)[NH2+]CC[C@@H]2C)cn1 ZINC000085623783 179106876 /nfs/dbraw/zinc/10/68/76/179106876.db2.gz AHPFNAWPVVODIG-XJKSGUPXSA-N 1 0 276.428 2.256 10 0 CEAERO COCC[C@H](C)n1c2c(nc1C(F)(F)F)C[NH2+]CC2 ZINC000085575275 179099210 /nfs/dbraw/zinc/09/92/10/179099210.db2.gz DDLHRGXCENAHNK-QMMMGPOBSA-N 1 0 277.290 2.145 10 0 CEAERO C([C@@H]1CCCO1)n1c2c(nc1C1CCCC1)C[NH2+]CC2 ZINC000085575338 179099250 /nfs/dbraw/zinc/09/92/50/179099250.db2.gz XIPKNWMGLQQPCW-ZDUSSCGKSA-N 1 0 275.396 2.365 10 0 CEAERO CCn1cc(CN2CCC[NH2+][C@H](CC(C)C)C2)cn1 ZINC000085611309 179102818 /nfs/dbraw/zinc/10/28/18/179102818.db2.gz LYFLUDQQEVMABG-OAHLLOKOSA-N 1 0 264.417 2.113 10 0 CEAERO c1cn(CCC[N@@H+]2CCCN[C@H](c3ccccc3)C2)cn1 ZINC000085610666 179102928 /nfs/dbraw/zinc/10/29/28/179102928.db2.gz HPTRBYJQZONBQE-KRWDZBQOSA-N 1 0 284.407 2.310 10 0 CEAERO COc1ccc(CN2C[C@H](C)[NH2+]CC[C@@H]2C)cc1OC ZINC000085619944 179105573 /nfs/dbraw/zinc/10/55/73/179105573.db2.gz USVRYKULQCJEDO-STQMWFEESA-N 1 0 278.396 2.276 10 0 CEAERO CO[C@H]1CCC[C@@H]([N@@H+]2CC(C)(C)NCC[C@@H]2C)C1 ZINC000085622621 179105802 /nfs/dbraw/zinc/10/58/02/179105802.db2.gz ZFRMWNGVHZNUBC-MJBXVCDLSA-N 1 0 254.418 2.406 10 0 CEAERO C[C@@H]1CC[NH2+][C@H](c2ccccc2)CN1Cc1ncccn1 ZINC000085621340 179106101 /nfs/dbraw/zinc/10/61/01/179106101.db2.gz ARQHPFMRLZPNRY-ZBFHGGJFSA-N 1 0 282.391 2.402 10 0 CEAERO C[C@H]([NH2+][C@H]1[C@@H]2CCCO[C@@H]2C1(C)C)c1nnc2n1CCC2 ZINC000085674070 179111713 /nfs/dbraw/zinc/11/17/13/179111713.db2.gz WSXQDWWBEIPBAS-IMIFBBOLSA-N 1 0 290.411 2.079 10 0 CEAERO CCN1CCC([NH2+][C@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000085675098 179112021 /nfs/dbraw/zinc/11/20/21/179112021.db2.gz YWSASQBWGXZFNO-KKUMJFAQSA-N 1 0 266.429 2.264 10 0 CEAERO CC(C)[C@H](CN(C)C)[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085675493 179112375 /nfs/dbraw/zinc/11/23/75/179112375.db2.gz KJURBNAPIVFZMK-XQLPTFJDSA-N 1 0 268.445 2.366 10 0 CEAERO CC(C)[C@@H](CN(C)C)[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085675489 179112711 /nfs/dbraw/zinc/11/27/11/179112711.db2.gz KJURBNAPIVFZMK-YJNKXOJESA-N 1 0 268.445 2.366 10 0 CEAERO COc1cc(OC)c(CC[NH2+]C2CC2)c(OC)c1 ZINC000085696861 179115920 /nfs/dbraw/zinc/11/59/20/179115920.db2.gz FTJWTEADSSAHCO-UHFFFAOYSA-N 1 0 251.326 2.007 10 0 CEAERO C[C@@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1nnc2ccccn21 ZINC000085632538 179108656 /nfs/dbraw/zinc/10/86/56/179108656.db2.gz JCOJKUOQHWRQAU-WVWOOGAGSA-N 1 0 286.379 2.193 10 0 CEAERO C[C@H](CN1CCCCC1)[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085634995 179109234 /nfs/dbraw/zinc/10/92/34/179109234.db2.gz XYPFJWAYTZCRGO-QPSCCSFWSA-N 1 0 266.429 2.264 10 0 CEAERO Cc1csc(CC[NH2+][C@H]2[C@H]3CCO[C@@H]3C2(C)C)n1 ZINC000085638331 179109973 /nfs/dbraw/zinc/10/99/73/179109973.db2.gz NRZPKYXWGZDBSU-WXHSDQCUSA-N 1 0 266.410 2.397 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc(F)ccc1N1CCOC[C@@H]1C ZINC000104272547 136554010 /nfs/dbraw/zinc/55/40/10/136554010.db2.gz ZKWQNNQADRKXEN-SMDDNHRTSA-N 1 0 266.360 2.331 10 0 CEAERO C[C@@H](O)c1c(F)cccc1N1CC[N@H+](C)C(C)(C)C1 ZINC000104140023 136554230 /nfs/dbraw/zinc/55/42/30/136554230.db2.gz GJYXJVXKPKEOBB-LLVKDONJSA-N 1 0 266.360 2.409 10 0 CEAERO COC[C@H](C)N(C)c1cc(Cl)ccc1C(N)=[NH2+] ZINC000062788899 522595471 /nfs/dbraw/zinc/59/54/71/522595471.db2.gz FPWDMZKRFSOBHE-QMMMGPOBSA-N 1 0 255.749 2.095 10 0 CEAERO CC(C)Oc1cc(NC[C@]2(C)CCC[NH2+]C2)ncn1 ZINC000129307638 365843985 /nfs/dbraw/zinc/84/39/85/365843985.db2.gz VUWCFHIEDQQYJX-CQSZACIVSA-N 1 0 264.373 2.065 10 0 CEAERO c1cc(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)cs1 ZINC000128463416 187371876 /nfs/dbraw/zinc/37/18/76/187371876.db2.gz NJYGRMFEBMCREL-GFCCVEGCSA-N 1 0 262.382 2.252 10 0 CEAERO CCn1c2ccc(Cl)cc2nc1[C@@]1([NH3+])CCOC1 ZINC000085849589 179187306 /nfs/dbraw/zinc/18/73/06/179187306.db2.gz PYBKOWLRMDHYNY-CYBMUJFWSA-N 1 0 265.744 2.284 10 0 CEAERO CCc1ccc([C@H](NC(=O)[C@]2([NH3+])CCOC2)C(C)C)cc1 ZINC000085912407 179196846 /nfs/dbraw/zinc/19/68/46/179196846.db2.gz RITAZBBROSPFPC-WBVHZDCISA-N 1 0 290.407 2.180 10 0 CEAERO [NH3+][C@]1(C(=O)Nc2ccccc2-c2ccccc2)CCOC1 ZINC000085867175 179191854 /nfs/dbraw/zinc/19/18/54/179191854.db2.gz RKCFMXRPEFBJOQ-QGZVFWFLSA-N 1 0 282.343 2.410 10 0 CEAERO CCN(C(=O)[C@]1([NH3+])CCOC1)c1cccc2ccccc21 ZINC000085867977 179192581 /nfs/dbraw/zinc/19/25/81/179192581.db2.gz RVLHFJHIJYJXMZ-KRWDZBQOSA-N 1 0 284.359 2.311 10 0 CEAERO [NH3+][C@@]1(C(=O)N[C@@H](c2cccs2)C2CCCC2)CCOC1 ZINC000085869978 179192922 /nfs/dbraw/zinc/19/29/22/179192922.db2.gz OVYLYQVEUZHATD-HIFRSBDPSA-N 1 0 294.420 2.213 10 0 CEAERO C[NH2+]C1CCC(Nc2ncc(Br)cn2)CC1 ZINC000085873643 179194052 /nfs/dbraw/zinc/19/40/52/179194052.db2.gz WVPPWPKZXWCHMW-UHFFFAOYSA-N 1 0 285.189 2.182 10 0 CEAERO CCC[C@H]1C[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)CCO1 ZINC000085963706 179205328 /nfs/dbraw/zinc/20/53/28/179205328.db2.gz YDBFOELSOGJALT-XGUBFFRZSA-N 1 0 255.402 2.475 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1CNC(=O)Nc1ccc(F)cc1 ZINC000085970216 179206769 /nfs/dbraw/zinc/20/67/69/179206769.db2.gz VSTAIDRLTVBLND-ZWNOBZJWSA-N 1 0 265.332 2.465 10 0 CEAERO CC(C)c1nn(C)cc1C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000085973475 179207213 /nfs/dbraw/zinc/20/72/13/179207213.db2.gz PFVRYLMFGRMVCC-JSGCOSHPSA-N 1 0 265.401 2.184 10 0 CEAERO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000085975073 179207865 /nfs/dbraw/zinc/20/78/65/179207865.db2.gz OLGJXITWQUXVSA-NVBFEUDRSA-N 1 0 289.379 2.058 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)C1(C)C ZINC000085974044 179208068 /nfs/dbraw/zinc/20/80/68/179208068.db2.gz CDTFKPUTLGNZNS-IGQOVBAYSA-N 1 0 255.402 2.331 10 0 CEAERO CCC[NH2+][C@@H](CCO)CN(C)C1CCC(C)CC1 ZINC000085922122 179200261 /nfs/dbraw/zinc/20/02/61/179200261.db2.gz BLVNAFLQYGAAGL-SLTAFYQDSA-N 1 0 256.434 2.248 10 0 CEAERO CC[NH2+][C@H](CCO)CN1CCC(Cc2ccccc2)CC1 ZINC000085921699 179200447 /nfs/dbraw/zinc/20/04/47/179200447.db2.gz COUJEJISWOZUDO-GOSISDBHSA-N 1 0 290.451 2.302 10 0 CEAERO CC[NH2+][C@H](CCO)CN1CCC[C@H](C(C)C)CC1 ZINC000085923206 179201035 /nfs/dbraw/zinc/20/10/35/179201035.db2.gz LPHPUKDFJSCOOP-LSDHHAIUSA-N 1 0 256.434 2.105 10 0 CEAERO [NH3+]CC[C@H](O)c1cc(Cl)ccc1Br ZINC000085926609 179202250 /nfs/dbraw/zinc/20/22/50/179202250.db2.gz MHUVVKWFADBVJE-VIFPVBQESA-N 1 0 264.550 2.485 10 0 CEAERO CC(C)C[NH2+]Cc1cnc2cnc(Br)cn12 ZINC000086004175 179214633 /nfs/dbraw/zinc/21/46/33/179214633.db2.gz IGWLPCMFUWUENG-UHFFFAOYSA-N 1 0 283.173 2.237 10 0 CEAERO [NH3+][C@@H](c1csc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000086020177 179217729 /nfs/dbraw/zinc/21/77/29/179217729.db2.gz RMAPDAHBOYUOLE-TVQRCGJNSA-N 1 0 281.402 2.336 10 0 CEAERO O=c1[nH]c([NH2+]C[C@@H]2CCCC[C@@H]2O)cc2ccccc21 ZINC000086015665 179215860 /nfs/dbraw/zinc/21/58/60/179215860.db2.gz YPMNCTANISMZLW-JSGCOSHPSA-N 1 0 272.348 2.491 10 0 CEAERO O[C@H](C[NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccc(F)cc1F ZINC000085985946 179211292 /nfs/dbraw/zinc/21/12/92/179211292.db2.gz CCLMQVZXSNTDEV-NZVBXONLSA-N 1 0 285.334 2.139 10 0 CEAERO COc1ccc(C)cc1[C@@H](O)C[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000085984935 179211458 /nfs/dbraw/zinc/21/14/58/179211458.db2.gz YRZWILPBSXHFRF-KBMXLJTQSA-N 1 0 293.407 2.178 10 0 CEAERO C[C@H](O)CC[NH2+]C[C@H](O)c1cc(Cl)ccc1Cl ZINC000085989687 179213701 /nfs/dbraw/zinc/21/37/01/179213701.db2.gz WSATYDGFHQSQDL-UFBFGSQYSA-N 1 0 278.179 2.387 10 0 CEAERO CC(C)c1ccc([C@H](O)C[NH2+]CC[C@@H](C)O)cc1 ZINC000085990228 179213817 /nfs/dbraw/zinc/21/38/17/179213817.db2.gz IDAMHHFJCUVKAK-IUODEOHRSA-N 1 0 251.370 2.204 10 0 CEAERO CC[NH2+][C@H]1CC[C@H](S(=O)(=O)c2ccc(OC)cc2)[C@@H]1C ZINC000086040760 179222381 /nfs/dbraw/zinc/22/23/81/179222381.db2.gz UJFGKOCQFVUYCE-UGFHNGPFSA-N 1 0 297.420 2.246 10 0 CEAERO Cc1ccc(C[NH3+])cc1S(=O)(=O)N[C@@H]1CC[C@H](C)[C@@H]1C ZINC000086074696 179225338 /nfs/dbraw/zinc/22/53/38/179225338.db2.gz QCYFXWLBCJDTRE-VHRBIJSZSA-N 1 0 296.436 2.167 10 0 CEAERO C[C@@H]1CC[C@H](NC(=O)c2ccccc2CC[NH3+])[C@@H]1C ZINC000086075799 179225599 /nfs/dbraw/zinc/22/55/99/179225599.db2.gz XZSXYKOJENBHQV-JMSVASOKSA-N 1 0 260.381 2.352 10 0 CEAERO C[C@@H]1CC[C@H](NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)[C@@H]1C ZINC000086075935 179225808 /nfs/dbraw/zinc/22/58/08/179225808.db2.gz BPGHXTITUGMJOX-MPTQWLOMSA-N 1 0 272.392 2.252 10 0 CEAERO C[C@H]1[C@H](NC(=O)CCC2CC[NH2+]CC2)CC[C@@H]1C ZINC000086076022 179225827 /nfs/dbraw/zinc/22/58/27/179225827.db2.gz YYMNRCHPDORAGP-OUCADQQQSA-N 1 0 252.402 2.317 10 0 CEAERO C[C@H]1[C@H](NC(=O)c2ccccc2CC[NH3+])CC[C@@H]1C ZINC000086075807 179225961 /nfs/dbraw/zinc/22/59/61/179225961.db2.gz XZSXYKOJENBHQV-YWPYICTPSA-N 1 0 260.381 2.352 10 0 CEAERO CCC[NH2+][C@H](c1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000086021554 179218595 /nfs/dbraw/zinc/21/85/95/179218595.db2.gz VWLBNJVBYAQPQS-JQWIXIFHSA-N 1 0 273.423 2.224 10 0 CEAERO [NH3+][C@H](c1ccc(F)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000086022855 179218693 /nfs/dbraw/zinc/21/86/93/179218693.db2.gz VAZQCLJEDNYBQB-BMIGLBTASA-N 1 0 293.363 2.413 10 0 CEAERO [NH3+][C@@H](Cc1cccc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000086025205 179219346 /nfs/dbraw/zinc/21/93/46/179219346.db2.gz SUOXMFZUBRIYDB-HOCLYGCPSA-N 1 0 289.400 2.144 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000086026354 179219925 /nfs/dbraw/zinc/21/99/25/179219925.db2.gz XLSSTKOUVBFNGI-HOTGVXAUSA-N 1 0 295.448 2.340 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CC[C@@H]1S(=O)(=O)c1cccc(Cl)c1 ZINC000086041699 179221994 /nfs/dbraw/zinc/22/19/94/179221994.db2.gz BSGIQKVIIXPLET-ZHAHWJHGSA-N 1 0 273.785 2.240 10 0 CEAERO C[C@]1(c2ccccc2)C[N@H+](CCc2ccncc2)CCN1 ZINC000086141968 179237144 /nfs/dbraw/zinc/23/71/44/179237144.db2.gz XLABHJKTECYTAS-GOSISDBHSA-N 1 0 281.403 2.445 10 0 CEAERO Cc1cccc(OCCN2CC[NH2+][C@@](C)(C3CC3)C2)c1 ZINC000086145310 179237364 /nfs/dbraw/zinc/23/73/64/179237364.db2.gz PRGFJWOXABUAAY-QGZVFWFLSA-N 1 0 274.408 2.448 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)Nc2ccccc2Br)C1 ZINC000086089432 179228725 /nfs/dbraw/zinc/22/87/25/179228725.db2.gz TZICVGDMESUDDY-IUCAKERBSA-N 1 0 281.153 2.291 10 0 CEAERO CC(C)n1cc(N2CC[NH2+][C@H](Cc3ccccc3)C2)cn1 ZINC000086148294 179240000 /nfs/dbraw/zinc/24/00/00/179240000.db2.gz CZVJYERXVPHMBT-MRXNPFEDSA-N 1 0 284.407 2.485 10 0 CEAERO CCC[C@H](COC)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000086177933 179247224 /nfs/dbraw/zinc/24/72/24/179247224.db2.gz LPAPULODQVUABS-HZPDHXFCSA-N 1 0 262.397 2.448 10 0 CEAERO Cc1csc([C@@H](C)N2CC[NH2+][C@H](C3CC3)C2)n1 ZINC000086150628 179240554 /nfs/dbraw/zinc/24/05/54/179240554.db2.gz NNWFTHYAVCOTSH-PWSUYJOCSA-N 1 0 251.399 2.196 10 0 CEAERO Cc1cnn(CC[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c1 ZINC000309949746 232696777 /nfs/dbraw/zinc/69/67/77/232696777.db2.gz FOFPCOQXYZFVSC-UHFFFAOYSA-N 1 0 296.415 2.084 10 0 CEAERO C[C@H]1CN[C@@H](Cc2ccccc2)C[N@@H+]1CC[C@@H]1CCCO1 ZINC000086173638 179244832 /nfs/dbraw/zinc/24/48/32/179244832.db2.gz NECOLGOSGGXVCD-SZMVWBNQSA-N 1 0 288.435 2.461 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C(C)C)CN1Cc1ccc(OC)nc1 ZINC000086175255 179245245 /nfs/dbraw/zinc/24/52/45/179245245.db2.gz PSEDWXXHEVBSBW-GJZGRUSLSA-N 1 0 277.412 2.299 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C(C)C)CN1Cc1cc(C)no1 ZINC000086174064 179245489 /nfs/dbraw/zinc/24/54/89/179245489.db2.gz OBLVLMUJKQOVMF-JSGCOSHPSA-N 1 0 251.374 2.191 10 0 CEAERO CC(C)(C)OC(=O)N1Cc2cnn(C3CC[NH2+]CC3)c2C1 ZINC000328579428 201943971 /nfs/dbraw/zinc/94/39/71/201943971.db2.gz HVBLVYYREZFLFC-UHFFFAOYSA-N 1 0 292.383 2.058 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C(C)C)CN1Cc1cc(C)no1 ZINC000086174066 179245694 /nfs/dbraw/zinc/24/56/94/179245694.db2.gz OBLVLMUJKQOVMF-GXTWGEPZSA-N 1 0 251.374 2.191 10 0 CEAERO CC(C)[C@H]1CN(CCc2cc(F)cc(F)c2)CC[NH2+]1 ZINC000086147654 179239574 /nfs/dbraw/zinc/23/95/74/179239574.db2.gz OXBVMOGWLBBKCP-OAHLLOKOSA-N 1 0 268.351 2.437 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1c1cnn(C)c1 ZINC000086218294 179249558 /nfs/dbraw/zinc/24/95/58/179249558.db2.gz WGQKUBSYCFXKPP-YPMHNXCESA-N 1 0 250.390 2.023 10 0 CEAERO CCn1cc(N2CC3(CCCCC3)[NH2+]C[C@H]2C)cn1 ZINC000086218525 179249805 /nfs/dbraw/zinc/24/98/05/179249805.db2.gz UTDBLAMFDWGNNP-CYBMUJFWSA-N 1 0 262.401 2.404 10 0 CEAERO CC[C@H]1CNC2(CCCC2)C[N@@H+]1C1CCOCC1 ZINC000086218825 179250341 /nfs/dbraw/zinc/25/03/41/179250341.db2.gz JOTITVBWUOLDKB-ZDUSSCGKSA-N 1 0 252.402 2.162 10 0 CEAERO COc1ccc([C@@H]2OCC[C@H]2[NH3+])cc1Br ZINC000086249898 179256015 /nfs/dbraw/zinc/25/60/15/179256015.db2.gz NXIKMTHUZYXJHD-KOLCDFICSA-N 1 0 272.142 2.246 10 0 CEAERO CC[C@H]1CN[C@@](C)(C2CC2)C[N@@H+]1C1CCOCC1 ZINC000086218763 179251090 /nfs/dbraw/zinc/25/10/90/179251090.db2.gz PILMQVKGUYUJOB-DZGCQCFKSA-N 1 0 252.402 2.018 10 0 CEAERO CC[C@@H]1CN(Cc2nc(C)cs2)[C@@H](CC)C[NH2+]1 ZINC000086227075 179253384 /nfs/dbraw/zinc/25/33/84/179253384.db2.gz LCDZEOZEGFVWHV-NEPJUHHUSA-N 1 0 253.415 2.414 10 0 CEAERO Cc1ccc2ncc(C[N@H+]3CC[C@@H](c4cnn(C)c4)C3)n2c1 ZINC000128555994 187377111 /nfs/dbraw/zinc/37/71/11/187377111.db2.gz AVLPQINLSHQMLB-CQSZACIVSA-N 1 0 295.390 2.366 10 0 CEAERO C[C@H]([NH3+])[C@@H]1CCCN(c2nc(Br)cs2)C1 ZINC000086290912 179265376 /nfs/dbraw/zinc/26/53/76/179265376.db2.gz BHMACTZTMJWPSA-JGVFFNPUSA-N 1 0 290.230 2.469 10 0 CEAERO CC[C@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1ccnc(C)n1 ZINC000086260188 179259261 /nfs/dbraw/zinc/25/92/61/179259261.db2.gz DDJDGEKMKIBYRV-HOTGVXAUSA-N 1 0 274.412 2.138 10 0 CEAERO CC[C@@H]1C[NH2+][C@](C)(CC)CN1Cc1cc(C)on1 ZINC000086259815 179259267 /nfs/dbraw/zinc/25/92/67/179259267.db2.gz YXZABQNOJVDKPM-ZIAGYGMSSA-N 1 0 251.374 2.336 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](CC(C)C)CN1Cc1ccnc(C)n1 ZINC000086260250 179259493 /nfs/dbraw/zinc/25/94/93/179259493.db2.gz PWOPKJSJMONJFS-HOTGVXAUSA-N 1 0 276.428 2.384 10 0 CEAERO CC[C@H]1C[NH2+][C@](C)(CC)CN1Cc1cc(C)no1 ZINC000086260396 179259574 /nfs/dbraw/zinc/25/95/74/179259574.db2.gz KONCSHDRUASXJH-GXTWGEPZSA-N 1 0 251.374 2.336 10 0 CEAERO CC[C@@H]1CN[C@](C)(C2CC2)C[N@@H+]1C[C@@H](C)COC ZINC000086260925 179260410 /nfs/dbraw/zinc/26/04/10/179260410.db2.gz ZOSWXZLCHGQPPR-YUELXQCFSA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@@H]1C[NH2+][C@](C)(CC)CN1Cc1cnc(C)cn1 ZINC000086263087 179260546 /nfs/dbraw/zinc/26/05/46/179260546.db2.gz XYFFRXSIKVPFIB-HUUCEWRRSA-N 1 0 262.401 2.138 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C2CC2)CN1Cc1cccc(C)n1 ZINC000086261748 179260585 /nfs/dbraw/zinc/26/05/85/179260585.db2.gz RGQQUDPUUASEHU-HOTGVXAUSA-N 1 0 259.397 2.352 10 0 CEAERO CC[C@@H]1C[NH2+]C(C)(C)CN1Cc1ccc2c(c1)OCO2 ZINC000086263435 179260652 /nfs/dbraw/zinc/26/06/52/179260652.db2.gz ZQMPCMVIJOZUEW-CYBMUJFWSA-N 1 0 276.380 2.378 10 0 CEAERO CCC[C@@H]1CN(Cc2nccn2C)[C@H](C(C)C)C[NH2+]1 ZINC000086264885 179260920 /nfs/dbraw/zinc/26/09/20/179260920.db2.gz YMSIWJDJIAVZHT-KGLIPLIRSA-N 1 0 264.417 2.019 10 0 CEAERO COc1cc(CN2CC(C)(C)[NH2+]C[C@@H]2C(C)C)ccn1 ZINC000086263836 179260991 /nfs/dbraw/zinc/26/09/91/179260991.db2.gz XJWPSKISKUVXIR-CQSZACIVSA-N 1 0 277.412 2.299 10 0 CEAERO CC[C@@H]1C[NH2+][C@@](C)(CC)CN1Cc1ccnc(OC)c1 ZINC000086263843 179261402 /nfs/dbraw/zinc/26/14/02/179261402.db2.gz JZULXTWHHHAETM-ZBFHGGJFSA-N 1 0 277.412 2.443 10 0 CEAERO CC[C@H]1CN[C@@H](C2CC2)C[N@@H+]1C[C@@H](C)CSC ZINC000086266402 179262105 /nfs/dbraw/zinc/26/21/05/179262105.db2.gz GJQRNZBRXLNTAQ-KWCYVHTRSA-N 1 0 256.459 2.448 10 0 CEAERO CSCC[N@@H+]1C[C@](C)(C2CC2)NC[C@@H]1C(C)C ZINC000086266186 179262408 /nfs/dbraw/zinc/26/24/08/179262408.db2.gz XANHXLHNHUGAGF-ZIAGYGMSSA-N 1 0 256.459 2.448 10 0 CEAERO C[N@@H+]1CCC[C@H](Nc2nc(Br)cs2)C1 ZINC000086279201 179263135 /nfs/dbraw/zinc/26/31/35/179263135.db2.gz KBDLNLQDUDIOPY-ZETCQYMHSA-N 1 0 276.203 2.412 10 0 CEAERO CC[C@]1(C)CN(Cc2csc(C)n2)CCC[NH2+]1 ZINC000086290001 179264439 /nfs/dbraw/zinc/26/44/39/179264439.db2.gz SVQIGNNXMGJRMK-CYBMUJFWSA-N 1 0 253.415 2.416 10 0 CEAERO C[C@@H]1CN(c2ccccc2OC(F)F)CCC[NH2+]1 ZINC000086286843 179264522 /nfs/dbraw/zinc/26/45/22/179264522.db2.gz JUFKIHCPTXQPJN-SNVBAGLBSA-N 1 0 256.296 2.476 10 0 CEAERO Cc1ncc(CN2CCC[NH2+][C@@H](C3CC3)C2)s1 ZINC000086289961 179264921 /nfs/dbraw/zinc/26/49/21/179264921.db2.gz SCWAREJHIWDYNT-CYBMUJFWSA-N 1 0 251.399 2.025 10 0 CEAERO [NH3+][C@H]1CCC(=O)N(C2CC2)[C@@H]1c1ccc2ccccc2n1 ZINC000086317435 179270443 /nfs/dbraw/zinc/27/04/43/179270443.db2.gz YWVVSAWSEIZGHV-GUYCJALGSA-N 1 0 281.359 2.388 10 0 CEAERO CCC[C@H](C[NH3+])[C@H](O)c1ccc(Br)o1 ZINC000086324700 179271672 /nfs/dbraw/zinc/27/16/72/179271672.db2.gz GLVCJXLMVMPJLI-XCBNKYQSSA-N 1 0 262.147 2.451 10 0 CEAERO C[NH2+]C[C@H]1CCCN(c2nc(Br)cs2)C1 ZINC000086290597 179265554 /nfs/dbraw/zinc/26/55/54/179265554.db2.gz ILKLZNGCOVFQCF-MRVPVSSYSA-N 1 0 290.230 2.341 10 0 CEAERO Brc1csc(OC[C@@H]2CCCC[NH2+]2)n1 ZINC000086291692 179266652 /nfs/dbraw/zinc/26/66/52/179266652.db2.gz YGHOPUYRLAWILK-ZETCQYMHSA-N 1 0 277.187 2.427 10 0 CEAERO COc1ccc(CN2CCC[NH2+][C@H](CC(C)C)C2)cn1 ZINC000086296396 179267231 /nfs/dbraw/zinc/26/72/31/179267231.db2.gz YGISMZNBJBCHLD-OAHLLOKOSA-N 1 0 277.412 2.300 10 0 CEAERO COc1ccc(CN2CCC[NH2+]C3(CCCC3)C2)cn1 ZINC000086296423 179267645 /nfs/dbraw/zinc/26/76/45/179267645.db2.gz HAOMCOATHWWTFV-UHFFFAOYSA-N 1 0 275.396 2.198 10 0 CEAERO C[C@@]1(C2CC2)CN(Cc2cscn2)CCC[NH2+]1 ZINC000086297849 179267694 /nfs/dbraw/zinc/26/76/94/179267694.db2.gz XOTJJXIAQYBYKO-ZDUSSCGKSA-N 1 0 251.399 2.107 10 0 CEAERO c1ccc2c(c1)OC[C@H]2N1CCC[NH2+][C@H](C2CC2)C1 ZINC000086299082 179268854 /nfs/dbraw/zinc/26/88/54/179268854.db2.gz CKURIGZNZBWFHJ-LSDHHAIUSA-N 1 0 258.365 2.194 10 0 CEAERO CCC[C@H]1CN(CCOC2CCCC2)CCC[NH2+]1 ZINC000086297990 179268945 /nfs/dbraw/zinc/26/89/45/179268945.db2.gz NTDULKWHIZRYMX-AWEZNQCLSA-N 1 0 254.418 2.410 10 0 CEAERO CC[C@@H](C)[C@H]1CN(CCc2cscn2)CCC[NH2+]1 ZINC000086297894 179269272 /nfs/dbraw/zinc/26/92/72/179269272.db2.gz NRTCFLXQFXJFJN-TZMCWYRMSA-N 1 0 267.442 2.396 10 0 CEAERO C[C@H]1COCCN1[C@@H](C[NH3+])c1cc(Cl)cs1 ZINC000086333254 179273599 /nfs/dbraw/zinc/27/35/99/179273599.db2.gz AMYROOFMYOBRSJ-WPRPVWTQSA-N 1 0 260.790 2.122 10 0 CEAERO C[C@@H]1COCCN1[C@@H](C[NH3+])c1cc(Cl)cs1 ZINC000086333252 179273869 /nfs/dbraw/zinc/27/38/69/179273869.db2.gz AMYROOFMYOBRSJ-SCZZXKLOSA-N 1 0 260.790 2.122 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H](Oc2ccc(Br)cn2)C1 ZINC000086408907 179285607 /nfs/dbraw/zinc/28/56/07/179285607.db2.gz VRPJQASCCGYDNT-NXEZZACHSA-N 1 0 271.158 2.493 10 0 CEAERO C[NH+](C)C[C@@H]1CCCN1c1nc2c(s1)CCCC2=O ZINC000086441738 179293951 /nfs/dbraw/zinc/29/39/51/179293951.db2.gz DEODYMQYAAPCFQ-JTQLQIEISA-N 1 0 279.409 2.193 10 0 CEAERO [NH3+]Cc1c[nH]nc1-c1ccccc1Br ZINC000086442666 179294214 /nfs/dbraw/zinc/29/42/14/179294214.db2.gz OZGDTHFPUCTLHL-UHFFFAOYSA-N 1 0 252.115 2.298 10 0 CEAERO COCC1CCN(c2nc3c(s2)CCC[C@H]3[NH3+])CC1 ZINC000086444257 179294456 /nfs/dbraw/zinc/29/44/56/179294456.db2.gz RGGPNELXWNMIAY-LLVKDONJSA-N 1 0 281.425 2.342 10 0 CEAERO CN(CC[NH+]1CCCC1)c1nc2c(s1)CCC[C@H]2O ZINC000086444794 179294468 /nfs/dbraw/zinc/29/44/68/179294468.db2.gz CJGCFDPGVZBOGM-LLVKDONJSA-N 1 0 281.425 2.045 10 0 CEAERO [NH3+][C@@H]1CCC(=O)N(C[C@H]2CCCc3ccccc32)C1 ZINC000086444896 179294481 /nfs/dbraw/zinc/29/44/81/179294481.db2.gz OYTXQCRHLQPSKB-ZIAGYGMSSA-N 1 0 258.365 2.056 10 0 CEAERO O[C@H]1CCCc2sc(N3CC[NH+](CC4CC4)CC3)nc21 ZINC000086444723 179294726 /nfs/dbraw/zinc/29/47/26/179294726.db2.gz CIYANYNKGFSEMI-LBPRGKRZSA-N 1 0 293.436 2.045 10 0 CEAERO C[C@H]1CN(Cc2noc(-c3ccc(F)cc3)n2)[C@@H](C)C[NH2+]1 ZINC000086470608 179300294 /nfs/dbraw/zinc/30/02/94/179300294.db2.gz UBCCSNYKSRQBNA-QWRGUYRKSA-N 1 0 290.342 2.058 10 0 CEAERO COCC[NH2+]CCc1c(C)nc(C2CCC2)nc1C ZINC000086490853 179302665 /nfs/dbraw/zinc/30/26/65/179302665.db2.gz DWOACPCHMDFPSS-UHFFFAOYSA-N 1 0 263.385 2.139 10 0 CEAERO CSc1cc2c(cc1C[NH2+]C[C@@H]1CCOC1)OCCO2 ZINC000086506404 179303149 /nfs/dbraw/zinc/30/31/49/179303149.db2.gz SFQGTESRIOOIEZ-NSHDSACASA-N 1 0 295.404 2.306 10 0 CEAERO O=c1[nH]ncc(NCC[NH2+]C2CCCCCC2)c1Cl ZINC000130137728 365926561 /nfs/dbraw/zinc/92/65/61/365926561.db2.gz UECKROXISOAYOY-UHFFFAOYSA-N 1 0 284.791 2.148 10 0 CEAERO CC[C@H]1CN(CCCC(=O)N(CC)CC)[C@@H](CC)C[NH2+]1 ZINC000086463928 179296251 /nfs/dbraw/zinc/29/62/51/179296251.db2.gz CBJNOPTTZNUAIZ-GJZGRUSLSA-N 1 0 283.460 2.097 10 0 CEAERO CCN1C(=[NH2+])NC[C@@H]1c1cc(Br)ccc1F ZINC000086459483 179296254 /nfs/dbraw/zinc/29/62/54/179296254.db2.gz OJGQBYFYZARLOS-SNVBAGLBSA-N 1 0 286.148 2.280 10 0 CEAERO C[NH2+][C@H](Cc1ccc(Br)cc1)C(OC)OC ZINC000086452127 179296376 /nfs/dbraw/zinc/29/63/76/179296376.db2.gz HPKBTUOTAZHJBI-LLVKDONJSA-N 1 0 288.185 2.199 10 0 CEAERO CCCN(CCC)C(=O)CN1C[C@@H](CC)[NH2+]C[C@@H]1CC ZINC000086463711 179296436 /nfs/dbraw/zinc/29/64/36/179296436.db2.gz NZNFOOXPKPYWQI-CABCVRRESA-N 1 0 283.460 2.097 10 0 CEAERO CCN1C(=[NH2+])NC[C@@H]1c1ccc(F)c(Br)c1 ZINC000086459011 179296470 /nfs/dbraw/zinc/29/64/70/179296470.db2.gz PVGXTZLSKPQSAT-SNVBAGLBSA-N 1 0 286.148 2.280 10 0 CEAERO CC[C@@H]1CN([C@@H](C)C(=O)N2CCCCCC2)[C@@H](CC)C[NH2+]1 ZINC000086463958 179296527 /nfs/dbraw/zinc/29/65/27/179296527.db2.gz OHTDVFIIDUPAKE-XHSDSOJGSA-N 1 0 295.471 2.240 10 0 CEAERO C[NH2+][C@H](Cc1cccc(Br)c1)C(OC)OC ZINC000086452125 179296595 /nfs/dbraw/zinc/29/65/95/179296595.db2.gz IDSIKMFNSYFIFJ-LLVKDONJSA-N 1 0 288.185 2.199 10 0 CEAERO CC[C@H]1CN(CC(=O)Nc2cccc(F)c2)[C@@H](CC)C[NH2+]1 ZINC000086463820 179296646 /nfs/dbraw/zinc/29/66/46/179296646.db2.gz YOHPNQCIKOFESG-ZFWWWQNUSA-N 1 0 293.386 2.227 10 0 CEAERO COC(OC)[C@H]([NH3+])Cc1cc(Br)ccc1F ZINC000086451877 179296653 /nfs/dbraw/zinc/29/66/53/179296653.db2.gz BXFHIBYSOPYRSX-SNVBAGLBSA-N 1 0 292.148 2.077 10 0 CEAERO CC[C@H]1CN(CC(=O)N(C(C)C)C(C)C)[C@@H](CC)C[NH2+]1 ZINC000086465002 179297002 /nfs/dbraw/zinc/29/70/02/179297002.db2.gz MRDKIVNUXXYUKS-GJZGRUSLSA-N 1 0 283.460 2.094 10 0 CEAERO CC[C@@H]1CN(CCC(=O)NC2CCCCC2)[C@@H](CC)C[NH2+]1 ZINC000086465699 179297144 /nfs/dbraw/zinc/29/71/44/179297144.db2.gz WRVPDJWLXKVJFW-ZBFHGGJFSA-N 1 0 295.471 2.288 10 0 CEAERO CC(C)N(C(=O)CN1C[C@H](C)[NH2+]C[C@@H]1C)C1CCCCC1 ZINC000086469611 179299892 /nfs/dbraw/zinc/29/98/92/179299892.db2.gz AETHPABMYHYIPY-GJZGRUSLSA-N 1 0 295.471 2.238 10 0 CEAERO C[C@@H]1CN(C(=O)NC23CC4CC(CC(C4)C2)C3)[C@@H](C)C[NH2+]1 ZINC000086468370 179300089 /nfs/dbraw/zinc/30/00/89/179300089.db2.gz MYMQQYLAMOWXRI-XALLYKQOSA-N 1 0 291.439 2.347 10 0 CEAERO C[NH2+][C@@H](c1cscc1Br)[C@@H]1COCCO1 ZINC000086555698 179307053 /nfs/dbraw/zinc/30/70/53/179307053.db2.gz JNDZHKHHMVPFBO-UWVGGRQHSA-N 1 0 292.198 2.187 10 0 CEAERO CC[C@H](C)[NH2+][C@H](C(N)=O)c1ccc(OC)c(Cl)c1 ZINC000086595454 179311187 /nfs/dbraw/zinc/31/11/87/179311187.db2.gz NGFNCWVUZCLBDJ-UFBFGSQYSA-N 1 0 270.760 2.263 10 0 CEAERO CCC[NH2+]CC1(S(C)(=O)=O)CC(C(C)(C)C)C1 ZINC000086560034 179307683 /nfs/dbraw/zinc/30/76/83/179307683.db2.gz UHFHDQFEYNCTCF-UHFFFAOYSA-N 1 0 261.431 2.226 10 0 CEAERO CO[C@@H](C)[C@H]([NH3+])Cc1cc(Br)cs1 ZINC000086576165 179308512 /nfs/dbraw/zinc/30/85/12/179308512.db2.gz LHFMQGVENGQUEE-IMTBSYHQSA-N 1 0 264.188 2.415 10 0 CEAERO COc1ccc(OC)c([C@H]2C[NH2+]C[C@@H](C)CO2)c1 ZINC000086633978 179315280 /nfs/dbraw/zinc/31/52/80/179315280.db2.gz ZCKCCSHACJWGMD-QMTHXVAHSA-N 1 0 251.326 2.001 10 0 CEAERO Cc1nc(SCc2cccnc2C(N)=[NH2+])nc(C)c1C ZINC000086643842 179315561 /nfs/dbraw/zinc/31/55/61/179315561.db2.gz VVSPXEHWTSTSPH-UHFFFAOYSA-N 1 0 287.392 2.373 10 0 CEAERO CCOC(=O)CCCCC[NH2+][C@H](COC)C(C)C ZINC000086701026 179321618 /nfs/dbraw/zinc/32/16/18/179321618.db2.gz NVYIFFKZGANTKW-CYBMUJFWSA-N 1 0 259.390 2.371 10 0 CEAERO COC[C@@H](NC(=O)Nc1cccc([C@@H](C)[NH3+])c1)C(C)C ZINC000086706959 179322015 /nfs/dbraw/zinc/32/20/15/179322015.db2.gz UGBIIYULXPSLHY-BXUZGUMPSA-N 1 0 279.384 2.499 10 0 CEAERO Cc1nn(C)c(Sc2nc(C)c(C)c(C)n2)c1CC[NH3+] ZINC000086645945 179316260 /nfs/dbraw/zinc/31/62/60/179316260.db2.gz RHOBRPYAXLCPCV-UHFFFAOYSA-N 1 0 291.424 2.096 10 0 CEAERO CCC(CC)(CC)NS(=O)(=O)CCC[NH2+]C(C)C ZINC000086647090 179316801 /nfs/dbraw/zinc/31/68/01/179316801.db2.gz FJDGUEFAGAJSCR-UHFFFAOYSA-N 1 0 278.462 2.263 10 0 CEAERO O[C@H](c1ccc2c(c1)OCO2)[C@H]1[NH2+]Cc2ccccc21 ZINC000086667405 179316968 /nfs/dbraw/zinc/31/69/68/179316968.db2.gz HBKGXYPTAYURDX-JKSUJKDBSA-N 1 0 269.300 2.293 10 0 CEAERO CC(C)[NH+]1CCC([NH+]2CCC(C)(C(=O)[O-])CC2)CC1 ZINC000086777032 179328567 /nfs/dbraw/zinc/32/85/67/179328567.db2.gz DURCVZUDFRCSQI-UHFFFAOYSA-N 1 0 268.401 2.046 10 0 CEAERO CCCC1CCC(C[NH3+])(O[C@H]2CCCCNC2=O)CC1 ZINC000086713397 179322673 /nfs/dbraw/zinc/32/26/73/179322673.db2.gz SBZACWRVWZKBLK-BBBYJDLNSA-N 1 0 282.428 2.360 10 0 CEAERO CCNC(=O)COC1(C[NH3+])CCC(C(C)(C)C)CC1 ZINC000086713701 179322764 /nfs/dbraw/zinc/32/27/64/179322764.db2.gz VTVWMZJARQQRDV-UHFFFAOYSA-N 1 0 270.417 2.073 10 0 CEAERO CCCC1CCC(C[NH3+])(O[C@@H](C)C(=O)NCC)CC1 ZINC000086713323 179322800 /nfs/dbraw/zinc/32/28/00/179322800.db2.gz ZFGBVTSLUDQNPN-OPFPJEHXSA-N 1 0 270.417 2.215 10 0 CEAERO CCC(C)(C)NC(=O)CO[C@@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000086712486 179322974 /nfs/dbraw/zinc/32/29/74/179322974.db2.gz JNIZZQYEVKIMEY-DOMZBBRYSA-N 1 0 270.417 2.215 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000086835435 179349202 /nfs/dbraw/zinc/34/92/02/179349202.db2.gz BGKOGRZEINDRGP-CYBMUJFWSA-N 1 0 296.436 2.376 10 0 CEAERO C[N@@H+]1CCC[C@H](Nc2ccc3c(c2)OCCO3)CC1 ZINC000086817145 179344729 /nfs/dbraw/zinc/34/47/29/179344729.db2.gz FASIBDSWKCNDFW-LBPRGKRZSA-N 1 0 262.353 2.354 10 0 CEAERO COC(=O)[C@@]1(Nc2ccccc2OC)CCC[N@H+](C)CC1 ZINC000086833305 179349607 /nfs/dbraw/zinc/34/96/07/179349607.db2.gz FOBHKJWZNHYTHV-MRXNPFEDSA-N 1 0 292.379 2.135 10 0 CEAERO COC(=O)[C@]1(Nc2cccc(F)c2)CCC[N@H+](C)CC1 ZINC000086833314 179349625 /nfs/dbraw/zinc/34/96/25/179349625.db2.gz WNNRXJKKKKXJPN-HNNXBMFYSA-N 1 0 280.343 2.265 10 0 CEAERO C[N@@H+]1CCC[C@H](Nc2ccc3c(c2)CCC(=O)N3)CC1 ZINC000086818387 179346562 /nfs/dbraw/zinc/34/65/62/179346562.db2.gz LCNRXQZOYHMAJE-ZDUSSCGKSA-N 1 0 273.380 2.468 10 0 CEAERO CCC[N@@H+]1CCC[C@@H](NCc2cc(C)no2)CC1 ZINC000086843582 179352745 /nfs/dbraw/zinc/35/27/45/179352745.db2.gz SPANCBQEHHSREC-CYBMUJFWSA-N 1 0 251.374 2.337 10 0 CEAERO CCC[N@@H+]1CCC[C@@H]([NH2+]C2CCC(C(=O)[O-])CC2)CC1 ZINC000086868707 179361567 /nfs/dbraw/zinc/36/15/67/179361567.db2.gz QSHGGQUEAYTHSW-SHARSMKWSA-N 1 0 282.428 2.484 10 0 CEAERO Cc1ccc(C)c([C@@H](C)[NH2+]CCc2nncn2C)c1 ZINC000104067437 185891406 /nfs/dbraw/zinc/89/14/06/185891406.db2.gz XXGDPEVWODGZPN-CYBMUJFWSA-N 1 0 258.369 2.325 10 0 CEAERO COc1ccc(C[C@@H](C)C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000128730854 187386884 /nfs/dbraw/zinc/38/68/84/187386884.db2.gz SYWPXINLTYAFQC-UKRRQHHQSA-N 1 0 290.407 2.036 10 0 CEAERO CC[N@@H+]1CCC[C@](N)(c2nc(C)c(C)s2)CC1 ZINC000086851308 179359056 /nfs/dbraw/zinc/35/90/56/179359056.db2.gz MLBSZQZFPIDXRW-CYBMUJFWSA-N 1 0 253.415 2.420 10 0 CEAERO CCC[NH2+][C@@H](CCCS(=O)(=O)CC)c1ccncc1 ZINC000086978773 179372540 /nfs/dbraw/zinc/37/25/40/179372540.db2.gz IQYPTNHANKCXBM-AWEZNQCLSA-N 1 0 284.425 2.337 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH3+])C1CCC(C)CC1 ZINC000086979247 179372869 /nfs/dbraw/zinc/37/28/69/179372869.db2.gz KSBQWCLTLZHZMG-BPCQOVAHSA-N 1 0 261.431 2.355 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]1[NH2+]Cc2ccccc21 ZINC000086981513 179372914 /nfs/dbraw/zinc/37/29/14/179372914.db2.gz ZCSVQCHFXQMRCO-ZDUSSCGKSA-N 1 0 253.367 2.046 10 0 CEAERO NNc1[nH+]c(CCC(F)(F)F)nc2c1CCCC2 ZINC000086980862 179373134 /nfs/dbraw/zinc/37/31/34/179373134.db2.gz UBLBJTUWUNGWEF-UHFFFAOYSA-N 1 0 260.263 2.136 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH2+]C)[C@H]1Cc2ccccc21 ZINC000086979868 179373242 /nfs/dbraw/zinc/37/32/42/179373242.db2.gz RYRWZDJFJKVKKL-LSDHHAIUSA-N 1 0 281.421 2.129 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH3+])c1ccc(F)cc1F ZINC000086979528 179373370 /nfs/dbraw/zinc/37/33/70/179373370.db2.gz FWZJSVCTPKMWDF-LBPRGKRZSA-N 1 0 277.336 2.180 10 0 CEAERO CC[C@@](C)([NH3+])c1nc([C@@H]2CSCCS2)no1 ZINC000086981384 179373391 /nfs/dbraw/zinc/37/33/91/179373391.db2.gz UJKXXCYWRCKPLX-OIBJUYFYSA-N 1 0 259.400 2.175 10 0 CEAERO C1C[NH2+][C@@H](c2nc([C@H]3CSCCS3)no2)C1 ZINC000086981378 179373450 /nfs/dbraw/zinc/37/34/50/179373450.db2.gz OXYOHLROPKIGPG-HTQZYQBOSA-N 1 0 257.384 2.015 10 0 CEAERO COc1ccc(C=C2C[NH2+]C2)cc1Br ZINC000086882238 179365530 /nfs/dbraw/zinc/36/55/30/179365530.db2.gz DDQCAKMELIWZGM-UHFFFAOYSA-N 1 0 254.127 2.444 10 0 CEAERO COC(=O)[C@@]1(N2CCC[NH2+]CC2)CCC[C@@H](C(C)C)CC1 ZINC000086949807 179368716 /nfs/dbraw/zinc/36/87/16/179368716.db2.gz LTRKPSUSOZTWOH-NVXWUHKLSA-N 1 0 296.455 2.430 10 0 CEAERO CCC[C@@H]1CCC[C@@](C[NH3+])(N2CCOCC2)CC1 ZINC000086947842 179368734 /nfs/dbraw/zinc/36/87/34/179368734.db2.gz NUVPDTHTVAGPPP-HUUCEWRRSA-N 1 0 254.418 2.397 10 0 CEAERO CC[C@H](Cc1nc(-c2ccccc2OC)no1)[NH2+]C ZINC000104071655 185892709 /nfs/dbraw/zinc/89/27/09/185892709.db2.gz HCASKLXOYJMAML-SNVBAGLBSA-N 1 0 261.325 2.286 10 0 CEAERO CCS(=O)(=O)CCC[NH2+]CCC1=CCCCC1 ZINC000086974308 179371537 /nfs/dbraw/zinc/37/15/37/179371537.db2.gz GFZOTUCUANAMGV-UHFFFAOYSA-N 1 0 259.415 2.291 10 0 CEAERO CC[NH2+][C@@H](C)[C@@H](CCCS(=O)(=O)CC)C(C)C ZINC000086976617 179372129 /nfs/dbraw/zinc/37/21/29/179372129.db2.gz PWDZBMLFAQTVQD-STQMWFEESA-N 1 0 263.447 2.472 10 0 CEAERO CC[C@@H]1CC[C@@H]([NH2+]CCCS(=O)(=O)CC)[C@@H]1C ZINC000086974612 179372194 /nfs/dbraw/zinc/37/21/94/179372194.db2.gz FGJIASXTDIOJMH-JHJVBQTASA-N 1 0 261.431 2.226 10 0 CEAERO Cc1nnc(SC[C@@H]2CC3(CO2)CC[NH2+]CC3)s1 ZINC000066346607 362862224 /nfs/dbraw/zinc/86/22/24/362862224.db2.gz IHXYPODPZIFCGM-JTQLQIEISA-N 1 0 285.438 2.097 10 0 CEAERO [NH3+]CCc1cn(Cc2ccc(Br)s2)cn1 ZINC000087016531 179380356 /nfs/dbraw/zinc/38/03/56/179380356.db2.gz DWLHEXNNCOGQKV-UHFFFAOYSA-N 1 0 286.198 2.257 10 0 CEAERO COC(=O)c1ccccc1C[NH2+]CC1(O)CCCCC1 ZINC000087017911 179380416 /nfs/dbraw/zinc/38/04/16/179380416.db2.gz BHUUDXRPIGXGPK-UHFFFAOYSA-N 1 0 277.364 2.258 10 0 CEAERO Cc1cc([C@H](O)[C@@H](C)C[NH3+])sc1Br ZINC000087018767 179381251 /nfs/dbraw/zinc/38/12/51/179381251.db2.gz MDPZCJKALBSAQH-POYBYMJQSA-N 1 0 264.188 2.447 10 0 CEAERO CC[C@@](C)(O)C[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000087028121 179381677 /nfs/dbraw/zinc/38/16/77/179381677.db2.gz RSHSVMNPUOSQAZ-QWHCGFSZSA-N 1 0 291.313 2.489 10 0 CEAERO CCOC(=O)CCCCC[NH2+]CC(O)(CC)CC ZINC000087028581 179381698 /nfs/dbraw/zinc/38/16/98/179381698.db2.gz CEMQCROYDGHJCM-UHFFFAOYSA-N 1 0 259.390 2.251 10 0 CEAERO CC[NH2+][C@H](Cc1cccs1)[C@H]1CSCCO1 ZINC000086989165 179374625 /nfs/dbraw/zinc/37/46/25/179374625.db2.gz NOOQXKXYXJIJQY-VXGBXAGGSA-N 1 0 257.424 2.401 10 0 CEAERO CCC(O)(CC)C[NH2+]CC(=O)Nc1ccccc1Cl ZINC000087028456 179381929 /nfs/dbraw/zinc/38/19/29/179381929.db2.gz ZHAALHROGIIBPA-UHFFFAOYSA-N 1 0 284.787 2.419 10 0 CEAERO COc1ccc([C@H]2[C@@H](C[NH3+])CCN2C2CC2)cc1F ZINC000086994953 179375929 /nfs/dbraw/zinc/37/59/29/179375929.db2.gz POAADTGAXKWGIQ-ABAIWWIYSA-N 1 0 264.344 2.318 10 0 CEAERO COc1ccc([C@@H]2[C@@H]([NH3+])CCCC(=O)N2C2CC2)cc1F ZINC000086995332 179375963 /nfs/dbraw/zinc/37/59/63/179375963.db2.gz CSGKMUWLCQFFOW-XJKSGUPXSA-N 1 0 292.354 2.378 10 0 CEAERO CCN1C(=O)CCC[C@H]([NH3+])[C@H]1c1ccc(OC)c(F)c1 ZINC000086995302 179376367 /nfs/dbraw/zinc/37/63/67/179376367.db2.gz JSXPTMZAGKEERH-SWLSCSKDSA-N 1 0 280.343 2.235 10 0 CEAERO [NH3+]Cc1ccc(NC(=O)c2c(F)cc(F)cc2F)nc1 ZINC000086995739 179376736 /nfs/dbraw/zinc/37/67/36/179376736.db2.gz NIZBEQVCHQZLPR-UHFFFAOYSA-N 1 0 281.237 2.210 10 0 CEAERO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1c(F)cc(F)cc1F ZINC000086997957 179377460 /nfs/dbraw/zinc/37/74/60/179377460.db2.gz VYIVMYCFRSADQE-PELKAZGASA-N 1 0 286.297 2.446 10 0 CEAERO CC[NH2+]Cc1nnc(-c2c(F)cc(F)cc2F)o1 ZINC000086998741 179378103 /nfs/dbraw/zinc/37/81/03/179378103.db2.gz SCKWFWHCWUXIAI-UHFFFAOYSA-N 1 0 257.215 2.263 10 0 CEAERO CC[C@]1(C)C[NH2+]C[C@H](c2nc3ccccc3n2C)O1 ZINC000087006737 179378686 /nfs/dbraw/zinc/37/86/86/179378686.db2.gz JDDFFPVPCMYOEC-UKRRQHHQSA-N 1 0 259.353 2.403 10 0 CEAERO COc1ccc([C@H](O)C[NH2+]CC2(O)CCC(C)CC2)cc1 ZINC000087061933 179389232 /nfs/dbraw/zinc/38/92/32/179389232.db2.gz OTXACDPOYQEPNV-BLDCVEFLSA-N 1 0 293.407 2.259 10 0 CEAERO CC(C)C[C@H](C)OC[C@@H](O)C[NH2+]CC1(O)CCCCC1 ZINC000087029078 179382263 /nfs/dbraw/zinc/38/22/63/179382263.db2.gz NGXIDIMZNFOWOA-GJZGRUSLSA-N 1 0 287.444 2.083 10 0 CEAERO C[C@@H]([NH2+]CC1(O)CCCCC1)C(=O)N1CCCCCC1 ZINC000087029198 179382483 /nfs/dbraw/zinc/38/24/83/179382483.db2.gz VUZUNHIUCDCOFW-CQSZACIVSA-N 1 0 282.428 2.062 10 0 CEAERO CC[NH2+][C@@H](CSC(C)C)Cc1ccnc(N)c1 ZINC000087113305 179395127 /nfs/dbraw/zinc/39/51/27/179395127.db2.gz VXMMJULHVPPKTD-GFCCVEGCSA-N 1 0 253.415 2.326 10 0 CEAERO CC[NH2+][C@H](CCCS(=O)(=O)CC)CSC(C)C ZINC000087113232 179395315 /nfs/dbraw/zinc/39/53/15/179395315.db2.gz KSVWMTTUBCWDRV-GFCCVEGCSA-N 1 0 281.487 2.321 10 0 CEAERO C[C@@H]1CCC[C@](O)(C[NH2+][C@@H]2CCCCC[C@@H]2O)C1 ZINC000087064256 179389984 /nfs/dbraw/zinc/38/99/84/179389984.db2.gz XQNUVKXMXBLFNQ-APIJFGDWSA-N 1 0 255.402 2.211 10 0 CEAERO C[C@@H]1CCC[C@](O)(C[NH2+]CCOCC(F)(F)F)C1 ZINC000087064881 179390162 /nfs/dbraw/zinc/39/01/62/179390162.db2.gz MLOOVSVBVAMQIB-GHMZBOCLSA-N 1 0 269.307 2.096 10 0 CEAERO CCC1CCC(O)(CNC(=O)CCC2CC[NH2+]CC2)CC1 ZINC000087070359 179391525 /nfs/dbraw/zinc/39/15/25/179391525.db2.gz YJSAHPNOSLDPNO-UHFFFAOYSA-N 1 0 296.455 2.214 10 0 CEAERO CCC[NH2+][C@H](COC)Cc1nc(CSC(C)C)no1 ZINC000087115100 179395649 /nfs/dbraw/zinc/39/56/49/179395649.db2.gz HOVKBXIOEWMWFR-NSHDSACASA-N 1 0 287.429 2.268 10 0 CEAERO C[NH2+]Cc1ccc(O[C@H](C)[C@H](C)O)c(Br)c1 ZINC000087125616 179395872 /nfs/dbraw/zinc/39/58/72/179395872.db2.gz FYHWTNNXJPIKSH-DTWKUNHWSA-N 1 0 288.185 2.317 10 0 CEAERO C[C@@H](Oc1c(Br)cccc1C[NH3+])[C@H](C)O ZINC000087125537 179395971 /nfs/dbraw/zinc/39/59/71/179395971.db2.gz IZFCOBCRLXHSMA-JGVFFNPUSA-N 1 0 274.158 2.056 10 0 CEAERO C[NH2+]Cc1ccc(O[C@@H](C)[C@H](C)O)c(Br)c1 ZINC000087125621 179396298 /nfs/dbraw/zinc/39/62/98/179396298.db2.gz FYHWTNNXJPIKSH-IUCAKERBSA-N 1 0 288.185 2.317 10 0 CEAERO CCOCCCn1nc(C)c(C[C@H]([NH3+])CC)c1C ZINC000087326800 179413144 /nfs/dbraw/zinc/41/31/44/179413144.db2.gz GEAYTMLNMZICHH-CYBMUJFWSA-N 1 0 253.390 2.206 10 0 CEAERO CCOCC[C@H](O)[C@@H](C[NH3+])c1cc(Cl)ccc1OC ZINC000087375662 179417118 /nfs/dbraw/zinc/41/71/18/179417118.db2.gz XKFQEVVEOWTENR-STQMWFEESA-N 1 0 287.787 2.178 10 0 CEAERO CCOc1ccc([C@H](C[NH3+])[C@@H](O)C(F)(F)F)cc1 ZINC000087378441 179417578 /nfs/dbraw/zinc/41/75/78/179417578.db2.gz RDPIDMXYUIGMPR-WDEREUQCSA-N 1 0 263.259 2.051 10 0 CEAERO CCc1nnsc1-c1nc2cc(C[NH3+])ccc2n1C ZINC000087457379 179428261 /nfs/dbraw/zinc/42/82/61/179428261.db2.gz GMPQVUBZWXDBIJ-UHFFFAOYSA-N 1 0 273.365 2.113 10 0 CEAERO CCC[NH2+][C@H]1CCC[C@@H]1c1nc(-c2cnn(C)c2)no1 ZINC000087426998 179424372 /nfs/dbraw/zinc/42/43/72/179424372.db2.gz ZSSTVQRCRMAXCO-RYUDHWBXSA-N 1 0 275.356 2.106 10 0 CEAERO CC[C@@H](C[NH3+])c1nnc2ccc(C(F)(F)F)cn21 ZINC000087496461 179435341 /nfs/dbraw/zinc/43/53/41/179435341.db2.gz XALWXJUTDRKYFA-ZETCQYMHSA-N 1 0 258.247 2.200 10 0 CEAERO Cc1cc(NC(=O)[C@@H](C)CC[NH3+])ncc1Br ZINC000087637028 179460093 /nfs/dbraw/zinc/46/00/93/179460093.db2.gz JSFKRTUBEWOCAA-ZETCQYMHSA-N 1 0 286.173 2.076 10 0 CEAERO CC[C@H]1CO[C@@H](C)CN1C(=O)CCC(C)(C)CC[NH3+] ZINC000087684947 179470255 /nfs/dbraw/zinc/47/02/55/179470255.db2.gz CFBVAHMSNKWDAC-STQMWFEESA-N 1 0 270.417 2.168 10 0 CEAERO Cc1nc(N(C)C)nc(C)c1C[C@H](C)C[NH2+]C1CC1 ZINC000087707441 179475164 /nfs/dbraw/zinc/47/51/64/179475164.db2.gz YRTWESXGRIDCCK-JTQLQIEISA-N 1 0 262.401 2.090 10 0 CEAERO COC(=O)C(C)(C)C[C@H]([NH3+])c1ccc2c(c1)OCCO2 ZINC000087721308 179477266 /nfs/dbraw/zinc/47/72/66/179477266.db2.gz PKYIFLLJYLBIBK-NSHDSACASA-N 1 0 279.336 2.047 10 0 CEAERO CCC[NH2+]C1CCC(N2C(=O)CC(C)(C)C2=O)CC1 ZINC000087722781 179478125 /nfs/dbraw/zinc/47/81/25/179478125.db2.gz USWOUXNMENRDMZ-UHFFFAOYSA-N 1 0 266.385 2.082 10 0 CEAERO COc1cc([C@H]2CCC[N@H+](C)C2)c(C)cc1NC=O ZINC000616220753 348462442 /nfs/dbraw/zinc/46/24/42/348462442.db2.gz YXDZVVYDZQNFHT-LBPRGKRZSA-N 1 0 262.353 2.381 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000087519611 179439456 /nfs/dbraw/zinc/43/94/56/179439456.db2.gz DYLLASPXLLZQQW-DGCLKSJQSA-N 1 0 292.379 2.010 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 ZINC000087532151 179441755 /nfs/dbraw/zinc/44/17/55/179441755.db2.gz GZSLMARSEPXXHR-NSHDSACASA-N 1 0 291.395 2.138 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)N[C@@H](C)Cc1ccc(C)s1 ZINC000087534754 179442603 /nfs/dbraw/zinc/44/26/03/179442603.db2.gz LFQSZTLWKKZORK-JQWIXIFHSA-N 1 0 268.426 2.479 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)Nc1nc(CC)c(C)s1 ZINC000087533115 179442754 /nfs/dbraw/zinc/44/27/54/179442754.db2.gz MSYOYRCVLMGBJF-SECBINFHSA-N 1 0 255.387 2.327 10 0 CEAERO CCC[NH2+][C@@]1(CC(=O)OC)CCc2ccccc2C1 ZINC000087552172 179445506 /nfs/dbraw/zinc/44/55/06/179445506.db2.gz DBCIHLCCEXUXBS-INIZCTEOSA-N 1 0 261.365 2.477 10 0 CEAERO CC[NH2+]C[C@@H](O)c1sccc1Br ZINC000087571856 179447426 /nfs/dbraw/zinc/44/74/26/179447426.db2.gz GWZXVXZGVRXGEY-SSDOTTSWSA-N 1 0 250.161 2.154 10 0 CEAERO CC[C@H]1CO[C@H](C)CN1C(=O)CC1([NH2+]C)CCCCC1 ZINC000087576933 179448435 /nfs/dbraw/zinc/44/84/35/179448435.db2.gz RASUMIKDKUEIPS-KGLIPLIRSA-N 1 0 282.428 2.325 10 0 CEAERO C[NH2+]C1(CC(=O)N2C[C@H](C)OC(C)(C)C2)CCCCC1 ZINC000087577666 179449430 /nfs/dbraw/zinc/44/94/30/179449430.db2.gz GIBGRPGULFCJSE-ZDUSSCGKSA-N 1 0 282.428 2.325 10 0 CEAERO CCc1nc(NC[C@]2(C)CCCS2)cc(NN)[nH+]1 ZINC000087907203 179517143 /nfs/dbraw/zinc/51/71/43/179517143.db2.gz NKFHCCZSLYSSSB-LBPRGKRZSA-N 1 0 267.402 2.022 10 0 CEAERO OCC[N@@H+]1CCC[C@H](c2cc3ccccc3nn2)CC1 ZINC000616627717 348539466 /nfs/dbraw/zinc/53/94/66/348539466.db2.gz JWFSEBQYDGGEHZ-ZDUSSCGKSA-N 1 0 271.364 2.192 10 0 CEAERO [NH3+]CCN1CCC[C@H](c2ccc3nnccc3c2)CC1 ZINC000616627208 348539721 /nfs/dbraw/zinc/53/97/21/348539721.db2.gz GPVADSPPEVKYSG-ZDUSSCGKSA-N 1 0 270.380 2.158 10 0 CEAERO OCCc1cccc([C@@H]2C[NH2+]CCN2Cc2ccccc2)c1 ZINC000616635678 348542413 /nfs/dbraw/zinc/54/24/13/348542413.db2.gz KBOZGZWOKVQNGN-IBGZPJMESA-N 1 0 296.414 2.368 10 0 CEAERO C[C@H]([NH2+]C[C@]1(N(C)C)CCC[C@@H](C)C1)C(C)(C)O ZINC000087818633 179493340 /nfs/dbraw/zinc/49/33/40/179493340.db2.gz UYDDZPLMUPEVSC-IPYPFGDCSA-N 1 0 256.434 2.246 10 0 CEAERO CC[N@@H+]1CCCO[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000616653644 348549565 /nfs/dbraw/zinc/54/95/65/348549565.db2.gz RVQJOFFDVNRGOM-LBPRGKRZSA-N 1 0 272.389 2.012 10 0 CEAERO CC[N@@H+]1CCOCC[C@H]1c1cccc2ccnnc21 ZINC000616655745 348549808 /nfs/dbraw/zinc/54/98/08/348549808.db2.gz ACPHQWALDJBQMV-AWEZNQCLSA-N 1 0 257.337 2.413 10 0 CEAERO CC[NH+](CC)Cc1ccc(OC)c(C(N)=S)c1 ZINC000087832359 179497200 /nfs/dbraw/zinc/49/72/00/179497200.db2.gz CLZDGFOTPOWAAS-UHFFFAOYSA-N 1 0 252.383 2.171 10 0 CEAERO CCOC(=O)c1ccc([C@H]2CCOCC[N@@H+]2C)cc1 ZINC000616655936 348550057 /nfs/dbraw/zinc/55/00/57/348550057.db2.gz NGRGVLYPZSGUTA-CQSZACIVSA-N 1 0 263.337 2.257 10 0 CEAERO CC1(C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1 ZINC000616571251 348524148 /nfs/dbraw/zinc/52/41/48/348524148.db2.gz QCGMGUXHOBXDQW-KGLIPLIRSA-N 1 0 258.365 2.048 10 0 CEAERO CC(C)CC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000616572137 348524465 /nfs/dbraw/zinc/52/44/65/348524465.db2.gz VJZMDPPXMCCZTM-CABCVRRESA-N 1 0 278.371 2.434 10 0 CEAERO CCC[NH2+][C@H]1CC(C)(C)Cc2c1cnn2CC(=O)OCC ZINC000087862619 179504709 /nfs/dbraw/zinc/50/47/09/179504709.db2.gz ZXXNVKLWUUDNKW-ZDUSSCGKSA-N 1 0 293.411 2.459 10 0 CEAERO CCCCCN(c1nc(NN)[nH+]cc1C)C(C)C ZINC000087866667 179505495 /nfs/dbraw/zinc/50/54/95/179505495.db2.gz XEUMXCRXQLSWKP-UHFFFAOYSA-N 1 0 251.378 2.476 10 0 CEAERO [NH3+]CCN1CC[C@H](c2ccccc2CO)c2ccccc21 ZINC000616586461 348526825 /nfs/dbraw/zinc/52/68/25/348526825.db2.gz AVTXJUIIIMKNMP-MRXNPFEDSA-N 1 0 282.387 2.480 10 0 CEAERO CC(C)(C)[N@@H+]1CCO[C@@H](c2cccc(C(N)=O)c2)CC1 ZINC000616594244 348528626 /nfs/dbraw/zinc/52/86/26/348528626.db2.gz DMDITSBSHFLCKW-CQSZACIVSA-N 1 0 276.380 2.347 10 0 CEAERO CC[N@@H+]1CCCOC[C@H]1c1cnnc2ccccc21 ZINC000616597361 348528973 /nfs/dbraw/zinc/52/89/73/348528973.db2.gz PTFXALRYVPIVLI-HNNXBMFYSA-N 1 0 257.337 2.413 10 0 CEAERO CC(C)[N@@H+]1CCOC[C@H](c2ccc(CCO)cc2)C1 ZINC000616658455 348551411 /nfs/dbraw/zinc/55/14/11/348551411.db2.gz FSFVAIFWRNJFBZ-MRXNPFEDSA-N 1 0 263.381 2.046 10 0 CEAERO CCOC(=O)c1ccc([C@H]2CCCCN2CC[NH3+])cc1 ZINC000616615289 348535259 /nfs/dbraw/zinc/53/52/59/348535259.db2.gz USPSZSSCXLATAS-OAHLLOKOSA-N 1 0 276.380 2.349 10 0 CEAERO [NH3+]CCN1CCC[C@@H](c2ccc3ncccc3c2)C1 ZINC000616621386 348537502 /nfs/dbraw/zinc/53/75/02/348537502.db2.gz RYRDVTDEACZGIY-OAHLLOKOSA-N 1 0 255.365 2.373 10 0 CEAERO [NH3+]CCN1CCCCC[C@@H]1c1ccc(CCO)cc1 ZINC000616624508 348538703 /nfs/dbraw/zinc/53/87/03/348538703.db2.gz PNNNQRWHDJZMPE-MRXNPFEDSA-N 1 0 262.397 2.097 10 0 CEAERO COc1cccc(F)c1C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000088081142 179545784 /nfs/dbraw/zinc/54/57/84/179545784.db2.gz JWKFEULHCAKMIB-ZYHUDNBSSA-N 1 0 280.343 2.034 10 0 CEAERO C[C@@H](CC[NH3+])[S@@](=O)Cc1ccccc1Br ZINC000088087346 179546264 /nfs/dbraw/zinc/54/62/64/179546264.db2.gz WRXQMUFESXHECE-BJOHPYRUSA-N 1 0 290.226 2.435 10 0 CEAERO Nc1cc([C@H]2COCC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000616662298 348553658 /nfs/dbraw/zinc/55/36/58/348553658.db2.gz GYUPXWHZOMKPHY-MRXNPFEDSA-N 1 0 283.375 2.110 10 0 CEAERO CC(C)(C)OC(=O)N1C[C@H](C[NH3+])Nc2ccccc21 ZINC000616679128 348558059 /nfs/dbraw/zinc/55/80/59/348558059.db2.gz CGRKHOIJBXQJDA-JTQLQIEISA-N 1 0 263.341 2.181 10 0 CEAERO CC(C)CNC(=[NH2+])N1CCC[C@@H](C(F)(F)F)C1 ZINC000088432235 179598902 /nfs/dbraw/zinc/59/89/02/179598902.db2.gz WUMAVXISAXUNNA-SECBINFHSA-N 1 0 251.296 2.441 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H](C(=O)Nc2cccc(F)c2F)C1 ZINC000088450056 179605807 /nfs/dbraw/zinc/60/58/07/179605807.db2.gz RWSXMLUXSGHRGP-BDAKNGLRSA-N 1 0 254.280 2.149 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C(=O)Nc2cc(F)c(F)c(F)c2)C1 ZINC000088450993 179606826 /nfs/dbraw/zinc/60/68/26/179606826.db2.gz YNVFNMGGOBBQLG-HTQZYQBOSA-N 1 0 272.270 2.288 10 0 CEAERO CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H]1COc2ccccc21 ZINC000088289473 179575682 /nfs/dbraw/zinc/57/56/82/179575682.db2.gz QLGQPMOEDANYOX-GXTWGEPZSA-N 1 0 276.380 2.247 10 0 CEAERO CCC[C@@H]1CCC[C@@]([NH3+])(Cc2ncnn2C)CC1 ZINC000088581352 179629139 /nfs/dbraw/zinc/62/91/39/179629139.db2.gz UQFKFFZMQAMIOG-OCCSQVGLSA-N 1 0 250.390 2.436 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc(C)c(OCc2ncnn2C)c(C)c1 ZINC000088582620 179629987 /nfs/dbraw/zinc/62/99/87/179629987.db2.gz ZOCRLSRVXARKHV-CQSZACIVSA-N 1 0 288.395 2.291 10 0 CEAERO CCn1ncnc1COc1ccc2c(c1)CCC[C@@H]2[NH2+]C ZINC000088585631 179631428 /nfs/dbraw/zinc/63/14/28/179631428.db2.gz MTPQBUGEKJUPRS-HNNXBMFYSA-N 1 0 286.379 2.474 10 0 CEAERO CCCn1ncnc1C[C@H]([NH2+]C)c1ccccc1OC ZINC000088609859 179637352 /nfs/dbraw/zinc/63/73/52/179637352.db2.gz NYBRPRGOYBZGTH-ZDUSSCGKSA-N 1 0 274.368 2.200 10 0 CEAERO CCCn1ncnc1C[C@@H](Cc1ccccc1OC)[NH2+]C ZINC000088610959 179637852 /nfs/dbraw/zinc/63/78/52/179637852.db2.gz BSORXUPQCDYROH-CQSZACIVSA-N 1 0 288.395 2.070 10 0 CEAERO CCn1ncnc1C[C@H]([NH3+])c1cccc(Cl)c1 ZINC000088610099 179638108 /nfs/dbraw/zinc/63/81/08/179638108.db2.gz ZDGKJIJVDNTXBN-NSHDSACASA-N 1 0 250.733 2.194 10 0 CEAERO C[NH2+][C@@H](Cc1ncnn1C(C)C)[C@H]1Cc2ccccc21 ZINC000088612637 179639278 /nfs/dbraw/zinc/63/92/78/179639278.db2.gz BHNQBVMNNAOVQU-GJZGRUSLSA-N 1 0 270.380 2.329 10 0 CEAERO CC[NH2+][C@H](Cc1ncnn1CC)[C@H]1Cc2ccccc21 ZINC000088612658 179639410 /nfs/dbraw/zinc/63/94/10/179639410.db2.gz HHQYWQHKCFTVAO-LSDHHAIUSA-N 1 0 270.380 2.159 10 0 CEAERO CCC1CCC([C@@H]([NH3+])Cc2ncnn2CC)CC1 ZINC000088613304 179639891 /nfs/dbraw/zinc/63/98/91/179639891.db2.gz BEXVONULCRXYGZ-BPCQOVAHSA-N 1 0 250.390 2.384 10 0 CEAERO CCC[NH2+][C@H](Cc1ncnn1CCC)[C@@H]1CCCOC1 ZINC000088613196 179639949 /nfs/dbraw/zinc/63/99/49/179639949.db2.gz MXQOQLTZZXPJJK-ZIAGYGMSSA-N 1 0 280.416 2.025 10 0 CEAERO CCCn1ncnc1C[C@H](C[NH3+])Cc1ccccc1C ZINC000088620065 179640661 /nfs/dbraw/zinc/64/06/61/179640661.db2.gz WOWAPOFGOJJTAT-CQSZACIVSA-N 1 0 272.396 2.357 10 0 CEAERO CC[NH2+][C@H]1CCCC[C@@H](Cc2ncnn2CC)C1 ZINC000088624123 179641734 /nfs/dbraw/zinc/64/17/34/179641734.db2.gz UULMTSGTSPPYLL-OLZOCXBDSA-N 1 0 250.390 2.399 10 0 CEAERO CC(C)Cn1ncnc1C[C@@H]1CCCC[C@H]([NH3+])C1 ZINC000088623960 179641916 /nfs/dbraw/zinc/64/19/16/179641916.db2.gz QMYJVZIYRYVVIG-OLZOCXBDSA-N 1 0 250.390 2.384 10 0 CEAERO Cc1c(C[NH2+]C(C)(C)C)cnn1Cc1ncnn1C(C)C ZINC000088623609 179641965 /nfs/dbraw/zinc/64/19/65/179641965.db2.gz OWXSXKXMGJUFCD-UHFFFAOYSA-N 1 0 290.415 2.300 10 0 CEAERO CCCn1ncnc1C[C@]1(C[NH3+])CC[C@@H](CC)C1 ZINC000088626900 179642856 /nfs/dbraw/zinc/64/28/56/179642856.db2.gz XWCXBVYRTXLGRV-OCCSQVGLSA-N 1 0 250.390 2.386 10 0 CEAERO CCC[C@H]1C[NH2+][C@H](C2CC2)CN1Cc1ncnn1C(C)C ZINC000088625744 179643214 /nfs/dbraw/zinc/64/32/14/179643214.db2.gz IQPGHTFSUAAROT-GJZGRUSLSA-N 1 0 291.443 2.212 10 0 CEAERO CC(C)N1CCC[C@H]([NH3+])[C@@H]1c1cn2ccccc2n1 ZINC000088628185 179644007 /nfs/dbraw/zinc/64/40/07/179644007.db2.gz NULHJWYDGDYVSB-SWLSCSKDSA-N 1 0 258.369 2.207 10 0 CEAERO CC(C)Oc1ccccc1NC(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000104214755 185933791 /nfs/dbraw/zinc/93/37/91/185933791.db2.gz IGOSSVQZQOJWOE-RYUDHWBXSA-N 1 0 262.353 2.268 10 0 CEAERO CCCn1ncnc1Cn1ccc2cccc(C[NH2+]C)c21 ZINC000088731719 179659563 /nfs/dbraw/zinc/65/95/63/179659563.db2.gz WPEWDEMRTFLVIA-UHFFFAOYSA-N 1 0 283.379 2.411 10 0 CEAERO CCc1nc(CC)n(-c2ccc(C[C@@H](C)[NH3+])cc2F)n1 ZINC000088746273 179663217 /nfs/dbraw/zinc/66/32/17/179663217.db2.gz OICRXWKDXMIKDQ-SNVBAGLBSA-N 1 0 276.359 2.421 10 0 CEAERO CCCNS(=O)(=O)c1c(C)oc(C)c1C[NH2+]C(C)C ZINC000088975923 179687977 /nfs/dbraw/zinc/68/79/77/179687977.db2.gz XTZQNHSUPPEBMH-UHFFFAOYSA-N 1 0 288.413 2.083 10 0 CEAERO CCC[NH2+]C[C@H](C)S(=O)(=O)N(C)C1CCC(C)CC1 ZINC000088993957 179690488 /nfs/dbraw/zinc/69/04/88/179690488.db2.gz CATUNAKIMKHKHS-MOKVOYLWSA-N 1 0 290.473 2.215 10 0 CEAERO COCC[NH2+]CCCc1nnc(-c2cccc(C)n2)s1 ZINC000088813426 179677345 /nfs/dbraw/zinc/67/73/45/179677345.db2.gz VAKFFADFGBJZSO-UHFFFAOYSA-N 1 0 292.408 2.077 10 0 CEAERO [NH3+][C@H](CCC(F)(F)F)c1ccc2c(c1)NC(=O)CO2 ZINC000088833139 179679653 /nfs/dbraw/zinc/67/96/53/179679653.db2.gz CXUGKAFHJUAQMF-MRVPVSSYSA-N 1 0 274.242 2.360 10 0 CEAERO CC(C)[C@H]1CCCN1S(=O)(=O)Cc1cccc(C[NH3+])c1 ZINC000088836742 179680867 /nfs/dbraw/zinc/68/08/67/179680867.db2.gz OSHMCJKUZDZLHR-OAHLLOKOSA-N 1 0 296.436 2.096 10 0 CEAERO CCC[C@]1(C(=O)N2CCC[C@H]2C(C)C)CC[NH2+]C1 ZINC000088837272 179681283 /nfs/dbraw/zinc/68/12/83/179681283.db2.gz QPXKLICIBFAESH-ZFWWWQNUSA-N 1 0 252.402 2.413 10 0 CEAERO Cc1ccc([C@H](C)N(C)C(=O)[C@H]2C[NH2+]C[C@@H]2C)cc1 ZINC000104222255 185935469 /nfs/dbraw/zinc/93/54/69/185935469.db2.gz BQOOOHZXBNHVAD-YDHLFZDLSA-N 1 0 260.381 2.370 10 0 CEAERO CC[C@H]([NH3+])c1c(C)nn(CCOC(F)(F)F)c1C ZINC000089056488 179695066 /nfs/dbraw/zinc/69/50/66/179695066.db2.gz IXEFJKQJQSPBPY-VIFPVBQESA-N 1 0 265.279 2.446 10 0 CEAERO CCS(=O)(=O)c1ccc(N[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000089108746 179704249 /nfs/dbraw/zinc/70/42/49/179704249.db2.gz VEWZYAHIRVAVFX-DOMZBBRYSA-N 1 0 296.436 2.410 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1Nc1nc(C2CC2)ns1 ZINC000089108954 179704336 /nfs/dbraw/zinc/70/43/36/179704336.db2.gz AYSPDSIVMPZSEY-VHSXEESVSA-N 1 0 252.387 2.345 10 0 CEAERO CN(C(=O)Nc1cccc(F)c1)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089111368 179706013 /nfs/dbraw/zinc/70/60/13/179706013.db2.gz JFUJETGNKXWPIY-MFKMUULPSA-N 1 0 265.332 2.417 10 0 CEAERO CN(C(=O)c1c(F)cc(F)cc1F)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089110762 179706079 /nfs/dbraw/zinc/70/60/79/179706079.db2.gz QZQIBMJPFKQQHX-PRHODGIISA-N 1 0 286.297 2.303 10 0 CEAERO C[NH2+]Cc1cccc(S(=O)(=O)NC2(C)CCCC2)c1C ZINC000089049197 179693343 /nfs/dbraw/zinc/69/33/43/179693343.db2.gz SWKVHNQJVWAXGJ-UHFFFAOYSA-N 1 0 296.436 2.325 10 0 CEAERO C[C@H]1CCCCCN1S(=O)(=O)CCCC[NH2+]C1CC1 ZINC000089046685 179693589 /nfs/dbraw/zinc/69/35/89/179693589.db2.gz VXBXARFVVGDHLJ-ZDUSSCGKSA-N 1 0 288.457 2.113 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc2[nH]ccc2c1 ZINC000089091030 539688665 /nfs/dbraw/zinc/68/86/65/539688665.db2.gz YGDVTSSMSMZIBC-JSGCOSHPSA-N 1 0 257.337 2.025 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1Nc1ccc(N2CCCC2=O)cc1 ZINC000089148409 179724042 /nfs/dbraw/zinc/72/40/42/179724042.db2.gz GSBMLOSXLFEFTR-DOMZBBRYSA-N 1 0 273.380 2.353 10 0 CEAERO COC[C@@H]([NH3+])CN(C)c1ccccc1C(F)(F)F ZINC000104305329 185960169 /nfs/dbraw/zinc/96/01/69/185960169.db2.gz RDUMWEJMYDNTFN-VIFPVBQESA-N 1 0 262.275 2.115 10 0 CEAERO CCC[NH2+]C[C@@H]1CCCCN1Cc1cc(C)nn1C ZINC000089185862 179747068 /nfs/dbraw/zinc/74/70/68/179747068.db2.gz ICLRMAZIPZRCRQ-AWEZNQCLSA-N 1 0 264.417 2.083 10 0 CEAERO CC[NH2+][C@@H](Cc1c(Cl)c(C)nn1C)[C@H]1CCCO1 ZINC000089252156 179760544 /nfs/dbraw/zinc/76/05/44/179760544.db2.gz GUDRPCOXVMFEQA-CMPLNLGQSA-N 1 0 271.792 2.082 10 0 CEAERO CC[NH2+][C@@H](Cc1cc(C)nn1C)c1ncccc1C ZINC000089193857 179749716 /nfs/dbraw/zinc/74/97/16/179749716.db2.gz BGYJTAGRJYUDJC-AWEZNQCLSA-N 1 0 258.369 2.325 10 0 CEAERO C[C@H](NC(=O)[C@H]1CCC[C@@H]1C[NH3+])c1cccs1 ZINC000089450729 539715803 /nfs/dbraw/zinc/71/58/03/539715803.db2.gz OZTBQVROAHMSSS-AXFHLTTASA-N 1 0 252.383 2.300 10 0 CEAERO CN(Cc1cccc(F)c1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089450141 539715973 /nfs/dbraw/zinc/71/59/73/539715973.db2.gz BYBJYCCPBDOBOE-JSGCOSHPSA-N 1 0 264.344 2.159 10 0 CEAERO COCCOc1ccc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089454212 539716683 /nfs/dbraw/zinc/71/66/83/539716683.db2.gz NCCXWTWBZPCEBN-SWLSCSKDSA-N 1 0 292.379 2.025 10 0 CEAERO CCc1cc(C[C@]2(C[NH2+]C3CC3)CCOC2)n(CC)n1 ZINC000089206384 179754196 /nfs/dbraw/zinc/75/41/96/179754196.db2.gz PVVCLYLLRWFELX-INIZCTEOSA-N 1 0 277.412 2.167 10 0 CEAERO CCc1nc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])sc1C ZINC000089460464 539718957 /nfs/dbraw/zinc/71/89/57/539718957.db2.gz MRLCHRHUCCNJJS-NXEZZACHSA-N 1 0 267.398 2.327 10 0 CEAERO CC(C)Oc1cc(NCC2(C)CC[NH2+]CC2)ncn1 ZINC000129436977 187431082 /nfs/dbraw/zinc/43/10/82/187431082.db2.gz QQRSJTJLUBARDX-UHFFFAOYSA-N 1 0 264.373 2.065 10 0 CEAERO CCc1nn(C)c(CN2CCC[NH2+][C@@H](CC)C2)c1Cl ZINC000089346500 179771480 /nfs/dbraw/zinc/77/14/80/179771480.db2.gz UYQBFFVGNTUEPD-NSHDSACASA-N 1 0 284.835 2.210 10 0 CEAERO CCc1nn(CC)c(CN2CCCC[C@@H]2C[NH3+])c1Cl ZINC000089350583 179771578 /nfs/dbraw/zinc/77/15/78/179771578.db2.gz NKPMFKTWPRGARH-LLVKDONJSA-N 1 0 284.835 2.432 10 0 CEAERO CCc1nn(CC)c(CN2CC[NH2+]C[C@@H]2CC)c1Cl ZINC000089350774 179771753 /nfs/dbraw/zinc/77/17/53/179771753.db2.gz LWINUVHJUUCEFE-NSHDSACASA-N 1 0 284.835 2.303 10 0 CEAERO CCc1nn(C)c(CN2C[C@H](CC)[NH2+]C[C@@H]2C)c1Cl ZINC000089346328 179771758 /nfs/dbraw/zinc/77/17/58/179771758.db2.gz OKHJFNXUOISHPO-QWRGUYRKSA-N 1 0 284.835 2.208 10 0 CEAERO COCCN(Cc1ccccc1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089455192 179793911 /nfs/dbraw/zinc/79/39/11/179793911.db2.gz KKLAZFOJZOYJNI-CVEARBPZSA-N 1 0 290.407 2.037 10 0 CEAERO COc1ccccc1CN(C)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089458214 179794479 /nfs/dbraw/zinc/79/44/79/179794479.db2.gz NBNDMHWXOITYJQ-GXTWGEPZSA-N 1 0 276.380 2.029 10 0 CEAERO Cc1c(F)cccc1NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089460844 179795995 /nfs/dbraw/zinc/79/59/95/179795995.db2.gz BPIMMUOBLAASLE-MNOVXSKESA-N 1 0 250.317 2.448 10 0 CEAERO CN(C)c1nnc(SCC[NH2+]C2CCCC2)s1 ZINC000104314281 185964500 /nfs/dbraw/zinc/96/45/00/185964500.db2.gz MMCZTNVLFNKONV-UHFFFAOYSA-N 1 0 272.443 2.228 10 0 CEAERO Cc1nc(C)c(C[NH2+]C[C@H]2CCC[C@H]2CO)s1 ZINC000089492128 179802688 /nfs/dbraw/zinc/80/26/88/179802688.db2.gz ZUMQLAUQZVDIDQ-NEPJUHHUSA-N 1 0 254.399 2.258 10 0 CEAERO Cc1cc(C(=O)NC[C@H]2CCC[C@H]2C[NH3+])ccc1F ZINC000089500301 179805028 /nfs/dbraw/zinc/80/50/28/179805028.db2.gz MHIUAMGHBQLKOB-QWHCGFSZSA-N 1 0 264.344 2.239 10 0 CEAERO COc1ccc(NC(=O)NC[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089500877 179805672 /nfs/dbraw/zinc/80/56/72/179805672.db2.gz WRVBPYBRJQSVEG-NWDGAFQWSA-N 1 0 277.368 2.192 10 0 CEAERO COc1cccc(N[C@H]2c3ccccc3C[C@@H]2[NH3+])n1 ZINC000104324408 185968517 /nfs/dbraw/zinc/96/85/17/185968517.db2.gz OJJCYNJFMYHFJL-WFASDCNBSA-N 1 0 255.321 2.127 10 0 CEAERO O=C(C[C@@H]1CC[NH2+]C1)N[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000089743068 179858039 /nfs/dbraw/zinc/85/80/39/179858039.db2.gz STCNOKXZQBXGFP-HBNTYKKESA-N 1 0 278.318 2.223 10 0 CEAERO CC[NH2+][C@H]([C@H]1CCS(=O)(=O)C1)C1CCC(C)CC1 ZINC000089576108 179823124 /nfs/dbraw/zinc/82/31/24/179823124.db2.gz MDZQLOPWWYDKMP-HOAMVYINSA-N 1 0 273.442 2.226 10 0 CEAERO CC(C)C[C@](C)(O)C[NH2+]C[C@@H](O)c1ccc(F)c(F)c1 ZINC000090271924 179944486 /nfs/dbraw/zinc/94/44/86/179944486.db2.gz FCWPQVMMEXCIAF-CABCVRRESA-N 1 0 287.350 2.385 10 0 CEAERO CC(C)C[NH2+]Cc1cncn1C[C@H]1CCCCO1 ZINC000090241637 179938964 /nfs/dbraw/zinc/93/89/64/179938964.db2.gz PJRVXCCVKCCAMP-CQSZACIVSA-N 1 0 251.374 2.198 10 0 CEAERO Cc1cc(C(=O)N2C[C@@H]3C[NH2+]C[C@H]3[C@@H]2C)sc1C ZINC000090325719 179958785 /nfs/dbraw/zinc/95/87/85/179958785.db2.gz HKGBFZDAHPSAPG-DLOVCJGASA-N 1 0 264.394 2.045 10 0 CEAERO C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)Nc1cccc(Cl)c1 ZINC000090325809 179958836 /nfs/dbraw/zinc/95/88/36/179958836.db2.gz LRNUMXYHILCBOX-BREBYQMCSA-N 1 0 279.771 2.412 10 0 CEAERO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C(=O)C1CCCCCCC1 ZINC000090325703 179958945 /nfs/dbraw/zinc/95/89/45/179958945.db2.gz NJAQNGVJGNLGCY-BPLDGKMQSA-N 1 0 264.413 2.413 10 0 CEAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)c1cccc(C)c1 ZINC000090330526 179962208 /nfs/dbraw/zinc/96/22/08/179962208.db2.gz GBBBEYSSKCMSGD-RBSFLKMASA-N 1 0 258.365 2.065 10 0 CEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C(=O)c1ccc2c(c1)CCC2 ZINC000090331164 179962283 /nfs/dbraw/zinc/96/22/83/179962283.db2.gz DCFVADDHIQEZQE-IXDOHACOSA-N 1 0 284.403 2.245 10 0 CEAERO Cc1ccc(NC(=O)CSCC[C@H](C)[NH3+])cc1 ZINC000090346709 179970506 /nfs/dbraw/zinc/97/05/06/179970506.db2.gz KABRYYXMWAVENB-NSHDSACASA-N 1 0 252.383 2.404 10 0 CEAERO C[C@@H]([NH3+])CCS[C@H](C)C(=O)NC1CCCCC1 ZINC000090346885 179970940 /nfs/dbraw/zinc/97/09/40/179970940.db2.gz ZFAOCVSETOLQFT-GHMZBOCLSA-N 1 0 258.431 2.294 10 0 CEAERO CC(C)CC[C@H](C)NC(=O)CSC[C@@H](C)C[NH3+] ZINC000090350956 179972712 /nfs/dbraw/zinc/97/27/12/179972712.db2.gz YRBRDXRMFQHCNX-RYUDHWBXSA-N 1 0 260.447 2.255 10 0 CEAERO C[C@@H](CC[NH3+])SCC(=O)N[C@@H](C)c1ccccc1 ZINC000090354636 179973416 /nfs/dbraw/zinc/97/34/16/179973416.db2.gz MQKDZSKUWAPHKU-RYUDHWBXSA-N 1 0 266.410 2.334 10 0 CEAERO CC[C@@H]([NH3+])CS[C@@H](C)C(=O)NC1CCCCC1 ZINC000090357319 179975806 /nfs/dbraw/zinc/97/58/06/179975806.db2.gz FOQRZGAAUGUACP-WDEREUQCSA-N 1 0 258.431 2.294 10 0 CEAERO CCn1c2ccc(Cl)cc2nc1[C@@H]1COC[C@H]1[NH3+] ZINC000090363725 179977930 /nfs/dbraw/zinc/97/79/30/179977930.db2.gz LMBYEDVPBWZPED-NXEZZACHSA-N 1 0 265.744 2.151 10 0 CEAERO CC[NH2+][C@@H]1COC[C@@H]1c1nc2ccccc2n1CC ZINC000090472257 179989061 /nfs/dbraw/zinc/98/90/61/179989061.db2.gz KHVFTYVINXENNU-WCQYABFASA-N 1 0 259.353 2.148 10 0 CEAERO CC[NH2+][C@H]1COC[C@@H]1c1nc2c(cccc2F)n1CC ZINC000090472571 179989293 /nfs/dbraw/zinc/98/92/93/179989293.db2.gz SWIBSMKKHIHBJD-JQWIXIFHSA-N 1 0 277.343 2.287 10 0 CEAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000623765122 350106187 /nfs/dbraw/zinc/10/61/87/350106187.db2.gz OBJKJOQXOZQQFR-GXTWGEPZSA-N 1 0 290.388 2.050 10 0 CEAERO CC[NH2+][C@H]1COC[C@H]1C(=O)N(CC1CCCCC1)C1CC1 ZINC000090490369 179992031 /nfs/dbraw/zinc/99/20/31/179992031.db2.gz OKWLIMJWTVSQPY-CVEARBPZSA-N 1 0 294.439 2.182 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N(CC)c1ccccc1 ZINC000090539140 180000192 /nfs/dbraw/zinc/00/01/92/180000192.db2.gz VRVNXFPGFYAYBK-LSDHHAIUSA-N 1 0 276.380 2.054 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc(CC)cc1 ZINC000090539055 180000350 /nfs/dbraw/zinc/00/03/50/180000350.db2.gz AKQHRWRNERATDZ-CABCVRRESA-N 1 0 276.380 2.202 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1CC ZINC000090541096 180000418 /nfs/dbraw/zinc/00/04/18/180000418.db2.gz GRXGJSYQQYOHCT-BYNSBNAKSA-N 1 0 282.428 2.086 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccccc1OCC ZINC000090538544 180000520 /nfs/dbraw/zinc/00/05/20/180000520.db2.gz ROLGZXKZMRJKNX-OCCSQVGLSA-N 1 0 292.379 2.038 10 0 CEAERO CCCCN(CCCC)C(=O)[C@@H]1COC[C@H]1[NH2+]CCC ZINC000090539663 180000580 /nfs/dbraw/zinc/00/05/80/180000580.db2.gz NOLIENPIFSMHHF-HUUCEWRRSA-N 1 0 284.444 2.430 10 0 CEAERO CCCCN(C(=O)[C@@H]1COC[C@@H]1[NH2+]CCC)[C@@H](C)CC ZINC000090541893 180000912 /nfs/dbraw/zinc/00/09/12/180000912.db2.gz AGATWOPGNMRITM-ZNMIVQPWSA-N 1 0 284.444 2.428 10 0 CEAERO CCn1c2ccc(Cl)cc2nc1[C@]1(C)COC[C@@H]1[NH3+] ZINC000090571736 180007385 /nfs/dbraw/zinc/00/73/85/180007385.db2.gz UBJYXKGQMDAPKH-GXTWGEPZSA-N 1 0 279.771 2.325 10 0 CEAERO C[C@]1(c2nc(-c3ccc(F)cc3Cl)no2)COC[C@@H]1[NH3+] ZINC000090573777 180007583 /nfs/dbraw/zinc/00/75/83/180007583.db2.gz CJZBOBNWVROGDJ-GWCFXTLKSA-N 1 0 297.717 2.144 10 0 CEAERO C[C@]1(c2nc(-c3ccccc3Cl)no2)COC[C@@H]1[NH3+] ZINC000090573646 180007937 /nfs/dbraw/zinc/00/79/37/180007937.db2.gz LIBCORRZBFDYBP-GWCFXTLKSA-N 1 0 279.727 2.005 10 0 CEAERO C[C@H](c1ccccc1Cl)N(C)C(=O)[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090592130 180010653 /nfs/dbraw/zinc/01/06/53/180010653.db2.gz GBRNEJZUBNUBTB-DGFSRKRXSA-N 1 0 296.798 2.223 10 0 CEAERO Cc1ncc(COCc2ccccc2)c(C[NH3+])c1O ZINC000090608741 180012513 /nfs/dbraw/zinc/01/25/13/180012513.db2.gz CUMOPPLRBOCZIK-UHFFFAOYSA-N 1 0 258.321 2.271 10 0 CEAERO C[C@@H](OCC(=O)Nc1cccc(C[NH3+])c1)C(F)(F)F ZINC000090671967 180020811 /nfs/dbraw/zinc/02/08/11/180020811.db2.gz AVRUBKOZSVYAAC-MRVPVSSYSA-N 1 0 276.258 2.051 10 0 CEAERO C[C@@H](OC[C@@H]([NH3+])c1ccc2c(c1)OCCO2)C(F)(F)F ZINC000090672431 180021032 /nfs/dbraw/zinc/02/10/32/180021032.db2.gz PPDUFXGVSMPBBQ-PSASIEDQSA-N 1 0 291.269 2.425 10 0 CEAERO CC(C)[NH2+][C@@](CO)(CO[C@@H](C)C(F)(F)F)C1CC1 ZINC000090676030 180022303 /nfs/dbraw/zinc/02/23/03/180022303.db2.gz NULCCLKCJIIINY-ONGXEEELSA-N 1 0 269.307 2.093 10 0 CEAERO CC[NH2+][C@](C)(CO)C[C@@H](C)O[C@@H](C)C(F)(F)F ZINC000090676058 180022488 /nfs/dbraw/zinc/02/24/88/180022488.db2.gz QVXBNCNFILYMRK-UTLUCORTSA-N 1 0 257.296 2.093 10 0 CEAERO C[C@H]1CCC[C@@](CNc2nc(N)ns2)([NH+](C)C)C1 ZINC000090693078 180025201 /nfs/dbraw/zinc/02/52/01/180025201.db2.gz PVHXXRLVVGGULV-JOYOIKCWSA-N 1 0 269.418 2.043 10 0 CEAERO CC(C)(C)NC(=O)N1CCCSC[C@@H]1C[NH+]1CCCC1 ZINC000090700916 180027796 /nfs/dbraw/zinc/02/77/96/180027796.db2.gz FCJKTGAILVCDLW-ZDUSSCGKSA-N 1 0 299.484 2.398 10 0 CEAERO C[NH+](C)C[C@@H]1CSCCCN1C(=O)CC(C)(C)C ZINC000090699757 180028086 /nfs/dbraw/zinc/02/80/86/180028086.db2.gz XQQYRFXJQCXZMZ-GFCCVEGCSA-N 1 0 272.458 2.318 10 0 CEAERO CC[NH+]1CCC(CNc2ccnc(C(=O)OC)c2)CC1 ZINC000090737828 180034133 /nfs/dbraw/zinc/03/41/33/180034133.db2.gz GFCOSOYXNDWSBG-UHFFFAOYSA-N 1 0 277.368 2.012 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](O)C2)C12CCC2 ZINC000250578558 539753586 /nfs/dbraw/zinc/75/35/86/539753586.db2.gz XTGGRPWXHCNLJI-RFQIPJPRSA-N 1 0 253.386 2.227 10 0 CEAERO CC[NH2+][C@@H](Cc1cc(OC)ncn1)c1ccccc1 ZINC000090783907 180039586 /nfs/dbraw/zinc/03/95/86/180039586.db2.gz JGLSBXSGLIDGRN-AWEZNQCLSA-N 1 0 257.337 2.379 10 0 CEAERO CCN(c1cc(OC(C)C)ncn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000090786055 180039941 /nfs/dbraw/zinc/03/99/41/180039941.db2.gz MCSBKWONZPHPNP-PBWFPOADSA-N 1 0 290.411 2.373 10 0 CEAERO CCCOc1cc(N(CC)[C@@H]2CCC[C@@H]2C[NH3+])ncn1 ZINC000090785284 180039967 /nfs/dbraw/zinc/03/99/67/180039967.db2.gz VBRKDDFFWOHSLI-CHWSQXEVSA-N 1 0 278.400 2.219 10 0 CEAERO CCC[NH2+]C[C@H]1CCCN1c1cc(OCCC)ncn1 ZINC000090785443 180040086 /nfs/dbraw/zinc/04/00/86/180040086.db2.gz MPEWWWLHJARETJ-CYBMUJFWSA-N 1 0 278.400 2.234 10 0 CEAERO CCOc1cc(N(CC[NH3+])C2CCCCC2)nc(C)n1 ZINC000090788381 180041321 /nfs/dbraw/zinc/04/13/21/180041321.db2.gz PRHHSNTZXVBWEG-UHFFFAOYSA-N 1 0 278.400 2.282 10 0 CEAERO CC(C)CSC[C@H](C)[NH2+]C[C@H](C)[S@](C)=O ZINC000090841990 180043569 /nfs/dbraw/zinc/04/35/69/180043569.db2.gz WGIPTZVTERKDSI-ZIBATOQPSA-N 1 0 251.461 2.121 10 0 CEAERO COc1ccccc1[C@H](C)[NH2+]C[C@@H](C)[S@](C)=O ZINC000090841234 180043634 /nfs/dbraw/zinc/04/36/34/180043634.db2.gz AGOYSAYJRLLAPX-VGTOOOLASA-N 1 0 255.383 2.113 10 0 CEAERO C[NH2+][C@H]1C[C@H](Oc2c(C)nn(C)c2C)C12CCCC2 ZINC000090865734 180047999 /nfs/dbraw/zinc/04/79/99/180047999.db2.gz XLMHBXZOWVCKOK-STQMWFEESA-N 1 0 263.385 2.336 10 0 CEAERO CCOC(=O)[C@@H](C)Sc1cccc(C[NH2+]C)c1 ZINC000090870955 180049055 /nfs/dbraw/zinc/04/90/55/180049055.db2.gz TWJSCNLWYKDOLQ-SNVBAGLBSA-N 1 0 253.367 2.450 10 0 CEAERO CCNC(=O)[C@H](C)Sc1cccc(C[NH2+]C)c1 ZINC000090870746 180049160 /nfs/dbraw/zinc/04/91/60/180049160.db2.gz LHEVRPDGQKRIEV-JTQLQIEISA-N 1 0 252.383 2.023 10 0 CEAERO C[NH2+]Cc1cccc(SCC(=O)NC(C)(C)C)c1 ZINC000090870937 180049317 /nfs/dbraw/zinc/04/93/17/180049317.db2.gz RGFSZYRVTMMUNO-UHFFFAOYSA-N 1 0 266.410 2.413 10 0 CEAERO [NH3+]CCN(C[C@@H]1Cc2ccccc2O1)C1CCCC1 ZINC000090874076 180049870 /nfs/dbraw/zinc/04/98/70/180049870.db2.gz RFZLUYLHNBSPHH-HNNXBMFYSA-N 1 0 260.381 2.193 10 0 CEAERO CCC[NH2+]Cc1cccc(SCCC(=O)NC)c1 ZINC000090871602 180050073 /nfs/dbraw/zinc/05/00/73/180050073.db2.gz XSDGBCXBWDUMNB-UHFFFAOYSA-N 1 0 266.410 2.414 10 0 CEAERO NC(=[NH2+])c1cccc(OC[C@@H]2Cc3ccccc3O2)c1 ZINC000090875233 180050970 /nfs/dbraw/zinc/05/09/70/180050970.db2.gz YZFDNLQWVDKOFZ-AWEZNQCLSA-N 1 0 268.316 2.353 10 0 CEAERO CC[C@H](C)[C@H]1C[NH2+]CCN1C[C@@H]1Cc2ccccc2O1 ZINC000090878267 180051991 /nfs/dbraw/zinc/05/19/91/180051991.db2.gz QCMWAUMTWSYNPU-CWRNSKLLSA-N 1 0 274.408 2.310 10 0 CEAERO CC[NH2+]C[C@@]1(C[C@H]2Cc3ccccc3O2)CCOC1 ZINC000090877313 180052055 /nfs/dbraw/zinc/05/20/55/180052055.db2.gz KQDKILNUWDPIJS-ZBFHGGJFSA-N 1 0 261.365 2.396 10 0 CEAERO Cc1nn(C[C@H]2Cc3ccccc3O2)c(C)c1CC[NH3+] ZINC000090877409 180052322 /nfs/dbraw/zinc/05/23/22/180052322.db2.gz DLZATEVSTTUHBP-CQSZACIVSA-N 1 0 271.364 2.005 10 0 CEAERO CN(C[C@@H]1Cc2cc(F)ccc2O1)c1cc[nH+]cc1N ZINC000090893559 180054621 /nfs/dbraw/zinc/05/46/21/180054621.db2.gz MJKOSTXWOIDKIF-LBPRGKRZSA-N 1 0 273.311 2.243 10 0 CEAERO CC(C)[N@@H+](CC(N)=S)C[C@H]1Cc2cc(F)ccc2O1 ZINC000090893202 180054646 /nfs/dbraw/zinc/05/46/46/180054646.db2.gz NWHIQQIKHMZVEE-GFCCVEGCSA-N 1 0 282.384 2.126 10 0 CEAERO NC(=S)CC[N@H+](C[C@H]1Cc2cc(F)ccc2O1)C1CC1 ZINC000090893173 180054731 /nfs/dbraw/zinc/05/47/31/180054731.db2.gz KUVAFEWOFBLSKY-CYBMUJFWSA-N 1 0 294.395 2.270 10 0 CEAERO CO[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892635 180055394 /nfs/dbraw/zinc/05/53/94/180055394.db2.gz GDEOTXKYYWKBNP-GZBFAFLISA-N 1 0 265.328 2.286 10 0 CEAERO CCC(CC)(CO)[NH2+]C[C@H]1Cc2cc(F)ccc2O1 ZINC000090892694 180055502 /nfs/dbraw/zinc/05/55/02/180055502.db2.gz LZRXNTYMOPEXRX-CYBMUJFWSA-N 1 0 267.344 2.270 10 0 CEAERO NC(=[NH2+])c1ccccc1OC[C@H]1Cc2cc(F)ccc2O1 ZINC000090893394 180055537 /nfs/dbraw/zinc/05/55/37/180055537.db2.gz NDJYPRBFEXEZQN-GFCCVEGCSA-N 1 0 286.306 2.492 10 0 CEAERO CC[NH2+]Cc1nccn1C[C@H]1Cc2cc(F)ccc2O1 ZINC000090894378 180055801 /nfs/dbraw/zinc/05/58/01/180055801.db2.gz OBAOZNQGBBFDHH-CYBMUJFWSA-N 1 0 275.327 2.135 10 0 CEAERO Fc1ccc2c(c1)C[C@H](Cn1nccc1C[NH2+]C1CC1)O2 ZINC000090895615 180055949 /nfs/dbraw/zinc/05/59/49/180055949.db2.gz VFRRMDTXSFPFCE-OAHLLOKOSA-N 1 0 287.338 2.278 10 0 CEAERO COc1ccc(C[NH2+]C[C@@H]2Cc3cc(C)ccc3O2)cn1 ZINC000090897991 180056844 /nfs/dbraw/zinc/05/68/44/180056844.db2.gz PVBVYNZTVYQBDU-HNNXBMFYSA-N 1 0 284.359 2.492 10 0 CEAERO CC[C@](C)(C[NH3+])N(C)C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090897019 180056855 /nfs/dbraw/zinc/05/68/55/180056855.db2.gz DXQDXXLXUMSILH-GOEBONIOSA-N 1 0 262.397 2.358 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[NH2+]C[C@H]1CCCC[C@@H]1O)O2 ZINC000090898186 180057738 /nfs/dbraw/zinc/05/77/38/180057738.db2.gz PXHJLTBXNYQNAQ-BMFZPTHFSA-N 1 0 275.392 2.439 10 0 CEAERO C[NH2+]CC1CC(OC[C@H]2Cc3cc(C)ccc3O2)C1 ZINC000090899187 180057793 /nfs/dbraw/zinc/05/77/93/180057793.db2.gz FAGMLIDWOSOBBG-PESDSKBTSA-N 1 0 261.365 2.313 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](C[N@@H+](C)[C@@H](C)CC(N)=S)O2 ZINC000090898433 180058491 /nfs/dbraw/zinc/05/84/91/180058491.db2.gz GMKCCIIAYIXKGP-AAEUAGOBSA-N 1 0 278.421 2.295 10 0 CEAERO CCCC[N@H+](CCO)C[C@H]1Cc2cc(C)ccc2O1 ZINC000090900942 180058575 /nfs/dbraw/zinc/05/85/75/180058575.db2.gz XOWMZZQHFLOJFJ-OAHLLOKOSA-N 1 0 263.381 2.393 10 0 CEAERO COC[C@@H](C)[NH2+]C[C@H]1Cc2cc(Cl)ccc2O1 ZINC000090903102 180060420 /nfs/dbraw/zinc/06/04/20/180060420.db2.gz VFORAHGLLWKKEZ-BXKDBHETSA-N 1 0 255.745 2.268 10 0 CEAERO Cc1ccc2c(c1)C[C@H](CC1(CO)CC[NH2+]CC1)O2 ZINC000090902793 180060472 /nfs/dbraw/zinc/06/04/72/180060472.db2.gz YPWYITUFDLXXTJ-CQSZACIVSA-N 1 0 261.365 2.051 10 0 CEAERO CCC[NH2+][C@@H](C)CCCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090906099 180060721 /nfs/dbraw/zinc/06/07/21/180060721.db2.gz GHLQKKBMSOXLII-SOUVJXGZSA-N 1 0 254.418 2.408 10 0 CEAERO CC(C)Oc1ccc([C@@H]([NH3+])CN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090906042 180061318 /nfs/dbraw/zinc/06/13/18/180061318.db2.gz HOCCLIQJRUSRFL-BBWFWOEESA-N 1 0 290.407 2.337 10 0 CEAERO Cc1ccc([C@H](O)CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090907678 180061911 /nfs/dbraw/zinc/06/19/11/180061911.db2.gz GQMSNMWFENJLME-OWCLPIDISA-N 1 0 261.365 2.282 10 0 CEAERO CCCc1nc(N2C[C@H]3CC[C@@H](C2)O3)sc1C[NH2+]C ZINC000090908186 180062241 /nfs/dbraw/zinc/06/22/41/180062241.db2.gz LWYYRPFFRQGMFS-PHIMTYICSA-N 1 0 281.425 2.183 10 0 CEAERO [NH3+]CCc1nc(C(=O)N[C@H]2CCCc3occc32)cs1 ZINC000090952155 180072529 /nfs/dbraw/zinc/07/25/29/180072529.db2.gz GIZWWBUOFVPSJY-JTQLQIEISA-N 1 0 291.376 2.045 10 0 CEAERO Cc1cc(NC(=O)c2csc(CC[NH3+])n2)ccc1F ZINC000090953977 180074172 /nfs/dbraw/zinc/07/41/72/180074172.db2.gz VOXRCXLDYNLBQS-UHFFFAOYSA-N 1 0 279.340 2.344 10 0 CEAERO CC(C)[N@H+](C)CCCCNC(=O)c1csc([C@H](C)N)n1 ZINC000090953365 180074185 /nfs/dbraw/zinc/07/41/85/180074185.db2.gz OWRQVEBLMUVHCN-NSHDSACASA-N 1 0 298.456 2.013 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+][C@H](C)Cn1cccn1 ZINC000090960108 180075652 /nfs/dbraw/zinc/07/56/52/180075652.db2.gz LCEMKRSSKLZXIY-SNVBAGLBSA-N 1 0 278.381 2.081 10 0 CEAERO CC(=O)Nc1ccccc1C[NH2+]C[C@H]1CCC[C@H]1CO ZINC000090975356 180078972 /nfs/dbraw/zinc/07/89/72/180078972.db2.gz HCVDNFWMFNJHKM-HIFRSBDPSA-N 1 0 276.380 2.143 10 0 CEAERO C[C@H]([NH2+]C[C@H]1Cc2ccccc21)C(=O)NC(C)(C)C ZINC000090992343 180081256 /nfs/dbraw/zinc/08/12/56/180081256.db2.gz LQIRQALUXJLDOI-WCQYABFASA-N 1 0 260.381 2.219 10 0 CEAERO COc1cccc([C@H](C[NH3+])[C@H](O)[C@@H]2Cc3ccccc32)c1 ZINC000090991902 180081344 /nfs/dbraw/zinc/08/13/44/180081344.db2.gz RXQYCYPNMSJKMJ-FGTMMUONSA-N 1 0 283.371 2.438 10 0 CEAERO [NH3+]CC1(C(=O)NC[C@@H]2Cc3ccccc32)CCCCC1 ZINC000090992993 180082125 /nfs/dbraw/zinc/08/21/25/180082125.db2.gz OQSQUNFMKGOGJB-AWEZNQCLSA-N 1 0 272.392 2.352 10 0 CEAERO C[NH2+]Cc1cccn1Cc1cnn(-c2ccccc2)c1 ZINC000090995752 180082758 /nfs/dbraw/zinc/08/27/58/180082758.db2.gz CBRKPATTZLZMAZ-UHFFFAOYSA-N 1 0 266.348 2.442 10 0 CEAERO [NH3+]CCc1cccn1C[C@@H]1OCCc2ccccc21 ZINC000091004904 180083849 /nfs/dbraw/zinc/08/38/49/180083849.db2.gz AEPSKLJMGHMBBM-INIZCTEOSA-N 1 0 256.349 2.303 10 0 CEAERO CC(C)C[NH2+]Cc1nccn1Cc1cncn1C1CC1 ZINC000091002717 180083951 /nfs/dbraw/zinc/08/39/51/180083951.db2.gz BUNBRMRCTRZUOO-UHFFFAOYSA-N 1 0 273.384 2.208 10 0 CEAERO CC(C)(C)[NH2+]Cc1ccn(CC(=O)NCC(F)(F)F)c1 ZINC000091004232 180084266 /nfs/dbraw/zinc/08/42/66/180084266.db2.gz KMDGFWPXWXHNQL-UHFFFAOYSA-N 1 0 291.317 2.055 10 0 CEAERO CC(C)[N@@H+]1CCO[C@@H](Cn2cc(CO)c3ccccc32)C1 ZINC000091006559 180084551 /nfs/dbraw/zinc/08/45/51/180084551.db2.gz FOQMFYDPUXFMSQ-OAHLLOKOSA-N 1 0 288.391 2.243 10 0 CEAERO CC[C@@H]([NH3+])Cc1cccn1CCOC(F)(F)F ZINC000091005734 180084804 /nfs/dbraw/zinc/08/48/04/180084804.db2.gz ACFWOJRNRYTAOD-SECBINFHSA-N 1 0 250.264 2.304 10 0 CEAERO CCc1cc(Cn2cccc2C[C@@H](C)[NH3+])n(CC)n1 ZINC000091005491 180084851 /nfs/dbraw/zinc/08/48/51/180084851.db2.gz ZJGHAHWQFJUOHK-GFCCVEGCSA-N 1 0 260.385 2.205 10 0 CEAERO O[C@H]1CCCC[C@@H]1C[NH2+]Cc1c[nH]c2ncccc12 ZINC000091018804 180086746 /nfs/dbraw/zinc/08/67/46/180086746.db2.gz YWJRCQFZGPKWHH-RISCZKNCSA-N 1 0 259.353 2.204 10 0 CEAERO CCN(CC)C[C@H](C)[NH2+]Cc1c[nH]c2ncccc12 ZINC000091017808 180087058 /nfs/dbraw/zinc/08/70/58/180087058.db2.gz GJYNBFURHWHOOX-LBPRGKRZSA-N 1 0 260.385 2.383 10 0 CEAERO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1c[nH]c2ncccc12 ZINC000091016652 180087171 /nfs/dbraw/zinc/08/71/71/180087171.db2.gz JABAJKUBIZZTNN-AWEZNQCLSA-N 1 0 281.363 2.464 10 0 CEAERO OC[C@H]1CCCC[C@@H]1C[NH2+]Cc1c[nH]c2ncccc12 ZINC000091019112 180087265 /nfs/dbraw/zinc/08/72/65/180087265.db2.gz DBISFJCSMSUEQV-CHWSQXEVSA-N 1 0 273.380 2.451 10 0 CEAERO Cc1nonc1Cn1cc(C[NH2+]C(C)C)c2cccnc21 ZINC000091020727 180088313 /nfs/dbraw/zinc/08/83/13/180088313.db2.gz ORYJQMZBKNXTLY-UHFFFAOYSA-N 1 0 285.351 2.274 10 0 CEAERO CCn1cccc1C[NH2+]C[C@@H]1CCCC[C@@H]1CO ZINC000091128004 180099308 /nfs/dbraw/zinc/09/93/08/180099308.db2.gz NXXMZQZDTRPESA-UONOGXRCSA-N 1 0 250.386 2.396 10 0 CEAERO Clc1cccc2[nH]c(C[C@H]3CSCC[NH2+]3)nc21 ZINC000091128609 180100082 /nfs/dbraw/zinc/10/00/82/180100082.db2.gz ZKVVRMCRHBLCRS-QMMMGPOBSA-N 1 0 267.785 2.464 10 0 CEAERO Fc1ccc2oc(C[C@H]3CSCC[NH2+]3)nc2c1 ZINC000091129354 180101349 /nfs/dbraw/zinc/10/13/49/180101349.db2.gz MRRZNTQACDEIPP-VIFPVBQESA-N 1 0 252.314 2.214 10 0 CEAERO C[C@H]1C[C@H](c2ccncc2NC(=O)C(F)(F)F)CC[NH2+]1 ZINC000669385005 539765976 /nfs/dbraw/zinc/76/59/76/539765976.db2.gz RYVWMPAVOKWVSK-DTWKUNHWSA-N 1 0 287.285 2.438 10 0 CEAERO CCCCC[N@H+](C(C)C)[C@@H](CN)CC(=O)NC(C)C ZINC000091318530 180133549 /nfs/dbraw/zinc/13/35/49/180133549.db2.gz OLBAZTGWRYHWBH-CQSZACIVSA-N 1 0 271.449 2.129 10 0 CEAERO CCCNC(=O)C[C@@H](CN)[N@@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000091317714 180133809 /nfs/dbraw/zinc/13/38/09/180133809.db2.gz VHTDBGAVGYVTGW-GJZGRUSLSA-N 1 0 297.487 2.378 10 0 CEAERO C[C@H](O)[C@@](C[NH3+])(CC[C@@H]1CCCO1)c1ccccc1 ZINC000091327630 180135955 /nfs/dbraw/zinc/13/59/55/180135955.db2.gz ACXWEEOBJUCFLC-BPUTZDHNSA-N 1 0 263.381 2.223 10 0 CEAERO CCc1c(C[NH2+]CCOC)cnn1-c1ccc(F)cc1F ZINC000091335447 180136561 /nfs/dbraw/zinc/13/65/61/180136561.db2.gz DIGXCGSHHCSRDR-UHFFFAOYSA-N 1 0 295.333 2.449 10 0 CEAERO Cc1ccc([C@H]([NH2+]CC[S@@](C)=O)C2CC2)cc1 ZINC000091341694 180136898 /nfs/dbraw/zinc/13/68/98/180136898.db2.gz WYKWUIQGDMUYLK-YOEHRIQHSA-N 1 0 251.395 2.414 10 0 CEAERO CN(CC1CC1)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091360094 180141234 /nfs/dbraw/zinc/14/12/34/180141234.db2.gz QUIIMKPYCNLYOV-IHRRRGAJSA-N 1 0 250.386 2.166 10 0 CEAERO COc1ccc2c(c1OC)CC(CCC[NH3+])=C(OC)C2 ZINC000091364382 180142562 /nfs/dbraw/zinc/14/25/62/180142562.db2.gz PZDFNIIILBFUMG-UHFFFAOYSA-N 1 0 277.364 2.442 10 0 CEAERO C[NH2+][C@@H](CS[C@H](C)CCO)c1ccc(OC)cc1 ZINC000091269032 180116813 /nfs/dbraw/zinc/11/68/13/180116813.db2.gz CNEHKTKBTJBRLA-RISCZKNCSA-N 1 0 269.410 2.460 10 0 CEAERO CC[NH2+]Cc1c(S[C@H](C)CCO)nc2sccn12 ZINC000091268187 180116937 /nfs/dbraw/zinc/11/69/37/180116937.db2.gz SQYHKOFTSULJKU-SECBINFHSA-N 1 0 285.438 2.368 10 0 CEAERO CC(C)n1cncc1CN1CCCC[C@@H]1CC[NH3+] ZINC000091273035 180118004 /nfs/dbraw/zinc/11/80/04/180118004.db2.gz VNDJEMHWNABDRM-CYBMUJFWSA-N 1 0 250.390 2.167 10 0 CEAERO CN([C@H](C[NH3+])c1cncn1C1CC1)C1CCCCC1 ZINC000091276168 180118684 /nfs/dbraw/zinc/11/86/84/180118684.db2.gz MCUUKHQBMNOLEE-CQSZACIVSA-N 1 0 262.401 2.482 10 0 CEAERO CCC[C@H](C)N(C)[C@@H](C[NH3+])c1cncn1C1CC1 ZINC000091276272 180119998 /nfs/dbraw/zinc/11/99/98/180119998.db2.gz WDYYZZBESAWSRE-AAEUAGOBSA-N 1 0 250.390 2.338 10 0 CEAERO Cn1cncc1COc1ccc(C[NH2+]C2CC2)cc1 ZINC000091278258 180121266 /nfs/dbraw/zinc/12/12/66/180121266.db2.gz QVZUYPDLAQXBBW-UHFFFAOYSA-N 1 0 257.337 2.251 10 0 CEAERO CCCn1cncc1-c1ncc2c(n1)CCC[C@@H]2[NH2+]C ZINC000091278092 180121423 /nfs/dbraw/zinc/12/14/23/180121423.db2.gz KOGZXCCENVZLIO-LBPRGKRZSA-N 1 0 271.368 2.347 10 0 CEAERO CN(CC[C@@H]1CSCC[NH2+]1)Cc1cccc(F)c1 ZINC000091292007 180123379 /nfs/dbraw/zinc/12/33/79/180123379.db2.gz LKWJPXRXQPNDFA-CQSZACIVSA-N 1 0 268.401 2.353 10 0 CEAERO COc1cccc(N(C)CC[C@H]2CSCC[NH2+]2)c1 ZINC000091292216 180123652 /nfs/dbraw/zinc/12/36/52/180123652.db2.gz YNHFDGGZRKUABR-LBPRGKRZSA-N 1 0 266.410 2.227 10 0 CEAERO CCc1ccc([C@@H](O)CN2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091433103 180153475 /nfs/dbraw/zinc/15/34/75/180153475.db2.gz CFJXXMQXGAMUPR-IRXDYDNUSA-N 1 0 276.424 2.308 10 0 CEAERO CCNc1c(F)cccc1C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000091432437 180153676 /nfs/dbraw/zinc/15/36/76/180153676.db2.gz IOLDGVUPRHCMFL-GFCCVEGCSA-N 1 0 293.386 2.424 10 0 CEAERO CC(C)Cn1ncnc1C[C@]1(C(C)C)CCC[NH2+]1 ZINC000091445771 180157066 /nfs/dbraw/zinc/15/70/66/180157066.db2.gz NOCCMFSNVVYSTE-AWEZNQCLSA-N 1 0 250.390 2.255 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccccc1F)N(C)CC1CC(O)C1 ZINC000091463791 180162045 /nfs/dbraw/zinc/16/20/45/180162045.db2.gz OGMOYCSUNIFANI-UQZDFYISSA-N 1 0 280.387 2.307 10 0 CEAERO C[NH2+][C@H](C)c1c(F)cccc1N(C)CC1CC(O)C1 ZINC000091463978 180162090 /nfs/dbraw/zinc/16/20/90/180162090.db2.gz KXUKZEVAAJXIQL-VOMCLLRMSA-N 1 0 266.360 2.313 10 0 CEAERO C[N@@H+](Cc1cc(N)ccc1Cl)CC1CC(O)C1 ZINC000091463888 180162174 /nfs/dbraw/zinc/16/21/74/180162174.db2.gz QNCPRPBATZWXFJ-UHFFFAOYSA-N 1 0 254.761 2.125 10 0 CEAERO Cc1cccc([C@@H]([C@@H](C)[NH3+])N(C)CC2CC(O)C2)c1 ZINC000091464229 180163296 /nfs/dbraw/zinc/16/32/96/180163296.db2.gz AFJQEJWGUNJFOZ-FKFRUQKQSA-N 1 0 262.397 2.086 10 0 CEAERO CC(C)C[NH2+]C[C@H](O)Cc1ccn(C2CCCC2)n1 ZINC000091466282 180163560 /nfs/dbraw/zinc/16/35/60/180163560.db2.gz PDOMJGSTFVTMDC-OAHLLOKOSA-N 1 0 265.401 2.147 10 0 CEAERO C[NH2+]CC1CC(OC[C@H]2OCCc3ccccc32)C1 ZINC000091472080 180165287 /nfs/dbraw/zinc/16/52/87/180165287.db2.gz LLGKNPZSUAOEPX-LDZOIKDWSA-N 1 0 261.365 2.315 10 0 CEAERO CC[C@@H]1CCC(=O)[C@@H](C[N@H+](C)CC2CC(O)C2)C1 ZINC000091489747 180169077 /nfs/dbraw/zinc/16/90/77/180169077.db2.gz KBBAPSREGLUTOP-NELGMTEASA-N 1 0 253.386 2.085 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(CC(=O)c2cc(F)ccc2F)C1 ZINC000091391576 180144952 /nfs/dbraw/zinc/14/49/52/180144952.db2.gz FOHCJCQATUNWQG-GFCCVEGCSA-N 1 0 282.334 2.174 10 0 CEAERO C[NH+](C)[C@H]1CCCN(CC(=O)c2cc(F)ccc2F)C1 ZINC000091391577 180145073 /nfs/dbraw/zinc/14/50/73/180145073.db2.gz FOHCJCQATUNWQG-LBPRGKRZSA-N 1 0 282.334 2.174 10 0 CEAERO CCOC(=O)[C@@H]1C[C@@]12CC[N@H+](Cc1ccccc1)C2 ZINC000104853498 186028571 /nfs/dbraw/zinc/02/85/71/186028571.db2.gz FCWLRKKKNGDVQE-GOEBONIOSA-N 1 0 259.349 2.462 10 0 CEAERO CCOc1ccc(N)cc1CN1CCC[C@@H]([NH+](C)C)C1 ZINC000091393557 180145311 /nfs/dbraw/zinc/14/53/11/180145311.db2.gz XKGPCWSNUBEIDT-OAHLLOKOSA-N 1 0 277.412 2.194 10 0 CEAERO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(Cl)c(N)c2)C1 ZINC000091394650 180145981 /nfs/dbraw/zinc/14/59/81/180145981.db2.gz BIYMCJHQKREZQW-NSHDSACASA-N 1 0 281.787 2.088 10 0 CEAERO O=C(Nc1ccc(SC(F)(F)F)cc1)C1C[NH2+]C1 ZINC000091395952 180146846 /nfs/dbraw/zinc/14/68/46/180146846.db2.gz ADNCXDGDYHIFMH-UHFFFAOYSA-N 1 0 276.283 2.456 10 0 CEAERO CC[NH2+]Cc1cncc(N(C)c2cccc(F)c2)n1 ZINC000091420468 180150494 /nfs/dbraw/zinc/15/04/94/180150494.db2.gz DOLYWJZCNSYCSQ-UHFFFAOYSA-N 1 0 260.316 2.493 10 0 CEAERO c1nn(-c2cncc(C[NH2+]C3CC3)n2)c2ccccc12 ZINC000091422281 180151186 /nfs/dbraw/zinc/15/11/86/180151186.db2.gz TUGYUNHQHJJVAR-UHFFFAOYSA-N 1 0 265.320 2.068 10 0 CEAERO COc1ccc(Cl)cc1C[NH2+]CC1CC(O)C1 ZINC000091425727 180151914 /nfs/dbraw/zinc/15/19/14/180151914.db2.gz YFNNDZZWZIWSSN-UHFFFAOYSA-N 1 0 255.745 2.209 10 0 CEAERO CCC[NH2+][C@H](c1ccnn1C)C(C)(C)N1CCCC1 ZINC000091563591 180192928 /nfs/dbraw/zinc/19/29/28/180192928.db2.gz YUENQPPZTSBHNO-CQSZACIVSA-N 1 0 264.417 2.335 10 0 CEAERO Cc1ccnc(N)c1[C@H](N)C(C)(C)[NH+]1CCCCC1 ZINC000091564377 180193366 /nfs/dbraw/zinc/19/33/66/180193366.db2.gz WEFNJBSMCNAHJA-ZDUSSCGKSA-N 1 0 262.401 2.237 10 0 CEAERO C[NH2+][C@H](Cc1ccccn1)C(C)(C)N1CCCCC1 ZINC000091564719 180193718 /nfs/dbraw/zinc/19/37/18/180193718.db2.gz HQCZLGZWUYNCNS-OAHLLOKOSA-N 1 0 261.413 2.477 10 0 CEAERO CC(C)([C@@H](O)CCc1cccs1)[NH+]1CCOCC1 ZINC000091565704 180193722 /nfs/dbraw/zinc/19/37/22/180193722.db2.gz WZARVDQFGMTPCG-ZDUSSCGKSA-N 1 0 269.410 2.152 10 0 CEAERO C[NH2+][C@H](c1ccc(C)cc1)C(C)(C)N1CCOCC1 ZINC000091566472 180194032 /nfs/dbraw/zinc/19/40/32/180194032.db2.gz QTCFTUMLXFEWFX-OAHLLOKOSA-N 1 0 262.397 2.366 10 0 CEAERO Cc1ccc(C[C@@H](O)C(C)(C)[NH+]2CCOCC2)cc1C ZINC000091565965 180194286 /nfs/dbraw/zinc/19/42/86/180194286.db2.gz YXPDSJYLSDBSCQ-MRXNPFEDSA-N 1 0 277.408 2.318 10 0 CEAERO CCC[NH2+][C@H](c1cccnc1)C(C)(C)N1CCOCC1 ZINC000091567121 180194951 /nfs/dbraw/zinc/19/49/51/180194951.db2.gz DVFDSDMBSJDGHI-OAHLLOKOSA-N 1 0 277.412 2.233 10 0 CEAERO CCn1nc(C)cc1CC(=O)[C@](C)(CC)[NH+](C)C ZINC000091568850 180195031 /nfs/dbraw/zinc/19/50/31/180195031.db2.gz JKDROGZUWTURRY-AWEZNQCLSA-N 1 0 251.374 2.053 10 0 CEAERO CCC[NH2+][C@@H](c1ccnn1CC)C(C)(C)N1CCOCC1 ZINC000091567084 180195042 /nfs/dbraw/zinc/19/50/42/180195042.db2.gz HJBTYSRKRXYIPL-HNNXBMFYSA-N 1 0 294.443 2.055 10 0 CEAERO C[NH2+][C@@H](c1ccc(OC)c(F)c1)C(C)(C)N1CCOCC1 ZINC000091566747 180195102 /nfs/dbraw/zinc/19/51/02/180195102.db2.gz UKHDFTWTICUDEC-HNNXBMFYSA-N 1 0 296.386 2.206 10 0 CEAERO C[NH2+][C@H](CCC[C@H]1CCCO1)C(C)(C)N1CCOCC1 ZINC000091566726 180195107 /nfs/dbraw/zinc/19/51/07/180195107.db2.gz YVLYUOPTHQJZDQ-LSDHHAIUSA-N 1 0 284.444 2.035 10 0 CEAERO CC[NH2+][C@H](c1ccco1)C(C)(C)N1CCOCC1 ZINC000091566913 180195125 /nfs/dbraw/zinc/19/51/25/180195125.db2.gz LKXHSPUSRYRCBK-CYBMUJFWSA-N 1 0 252.358 2.041 10 0 CEAERO CC[NH2+][C@@H](c1ccccc1OC)C(C)(C)N1CCOCC1 ZINC000091566806 180195135 /nfs/dbraw/zinc/19/51/35/180195135.db2.gz NRONQYLMUIIUMZ-INIZCTEOSA-N 1 0 292.423 2.457 10 0 CEAERO CCc1cc(C[C@H]([NH2+]C)[C@@](C)(CC)N(C)C)n(CC)n1 ZINC000091570636 180195358 /nfs/dbraw/zinc/19/53/58/180195358.db2.gz QCEJFZJEJHNSIA-JKSUJKDBSA-N 1 0 280.460 2.326 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@H](N)c1cnccc1N ZINC000091573709 180196506 /nfs/dbraw/zinc/19/65/06/180196506.db2.gz FFUHCZBPPQPTKX-ZIAGYGMSSA-N 1 0 250.390 2.174 10 0 CEAERO CCn1ccnc1[C@H](N)[C@](C)(CC)[NH+](CC)CC ZINC000091573974 180196542 /nfs/dbraw/zinc/19/65/42/180196542.db2.gz TZHSFTWOUFYBOS-JSGCOSHPSA-N 1 0 252.406 2.413 10 0 CEAERO Cc1cccc(CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000105109604 186042197 /nfs/dbraw/zinc/04/21/97/186042197.db2.gz HPMPSCNUWCGCBA-INIZCTEOSA-N 1 0 287.407 2.375 10 0 CEAERO CC[C@@](C)([C@H](O)c1c(C)ccnc1N)[NH+]1CCCC1 ZINC000091602526 180202956 /nfs/dbraw/zinc/20/29/56/180202956.db2.gz OEMNMMPXWVSTMG-HIFRSBDPSA-N 1 0 263.385 2.270 10 0 CEAERO CC[NH2+][C@H](Cc1cnccc1N)[C@@](C)(CC)N1CCCC1 ZINC000091607206 180204502 /nfs/dbraw/zinc/20/45/02/180204502.db2.gz WUVKKVNXISOLNP-IAGOWNOFSA-N 1 0 290.455 2.449 10 0 CEAERO CC[C@](C)([C@@H](O)c1cnccc1N)[NH+]1CCCCC1 ZINC000091608884 180205550 /nfs/dbraw/zinc/20/55/50/180205550.db2.gz OGLHWLAHVDOTGS-LSDHHAIUSA-N 1 0 263.385 2.352 10 0 CEAERO CCn1cc(C[C@@H](O)[C@](C)(CC)[NH+]2CCCCC2)cn1 ZINC000091608477 180205562 /nfs/dbraw/zinc/20/55/62/180205562.db2.gz SMZBYUJYELEYNX-CVEARBPZSA-N 1 0 279.428 2.461 10 0 CEAERO CC[C@](C)([C@@H](O)Cc1cccnc1N)[NH+]1CCCCC1 ZINC000091608728 180205738 /nfs/dbraw/zinc/20/57/38/180205738.db2.gz HCNYIUUYSZWMMM-GOEBONIOSA-N 1 0 277.412 2.222 10 0 CEAERO CC[C@@](C)([C@@H](NC)c1nccn1C)[NH+]1CCCCC1 ZINC000091609731 180205871 /nfs/dbraw/zinc/20/58/71/180205871.db2.gz YPDINPWNAJWOHS-ZFWWWQNUSA-N 1 0 264.417 2.335 10 0 CEAERO CC[C@@](C)([C@@H](O)CC1CCCC1)[NH+]1CCOCC1 ZINC000091611215 180206335 /nfs/dbraw/zinc/20/63/35/180206335.db2.gz AKXASBBTILOFLN-GJZGRUSLSA-N 1 0 255.402 2.429 10 0 CEAERO CC[C@](C)([C@H](O)Cc1cccc(C)c1)[NH+]1CCOCC1 ZINC000091611074 180206730 /nfs/dbraw/zinc/20/67/30/180206730.db2.gz MJSNKQSZYNNAOS-IAGOWNOFSA-N 1 0 277.408 2.399 10 0 CEAERO CC[C@@](C)([C@@H]([NH3+])Cc1cccs1)N1CCOCC1 ZINC000091611871 180206759 /nfs/dbraw/zinc/20/67/59/180206759.db2.gz INJYNVWXKKNHSA-KBPBESRZSA-N 1 0 268.426 2.119 10 0 CEAERO CC[NH2+][C@@H](c1ccco1)[C@@](C)(CC)N1CCOCC1 ZINC000091612892 180207178 /nfs/dbraw/zinc/20/71/78/180207178.db2.gz KNMHUQWACNHULP-LSDHHAIUSA-N 1 0 266.385 2.431 10 0 CEAERO CC[C@@](C)([C@@H]([NH2+]C)c1ccccc1)N1CCOCC1 ZINC000091612443 180207399 /nfs/dbraw/zinc/20/73/99/180207399.db2.gz ODNQHWFSGXBUSJ-HOTGVXAUSA-N 1 0 262.397 2.448 10 0 CEAERO CCc1cc(C[C@H](N)C(CC)(CC)[NH+](C)C)n(CC)n1 ZINC000091614061 180207695 /nfs/dbraw/zinc/20/76/95/180207695.db2.gz ZTEPOJWOFOBXJX-HNNXBMFYSA-N 1 0 280.460 2.456 10 0 CEAERO CC[NH+](CC)C(CC)(CC)[C@@H](N)c1ccnn1C ZINC000091615964 180207988 /nfs/dbraw/zinc/20/79/88/180207988.db2.gz IHXHJEKZVLWABF-ZDUSSCGKSA-N 1 0 252.406 2.321 10 0 CEAERO COCC[NH2+]CC[C@@](C)(O)Cc1ccc(Cl)cc1 ZINC000091505555 180175905 /nfs/dbraw/zinc/17/59/05/180175905.db2.gz ADZCHHJWRPWPHF-CQSZACIVSA-N 1 0 271.788 2.260 10 0 CEAERO CCO[C@H]1C[C@H]([NH2+]CC2CC(O)C2)C12CCCCC2 ZINC000091524454 180177962 /nfs/dbraw/zinc/17/79/62/180177962.db2.gz WALBSXVQWIKKND-WUCCLRPBSA-N 1 0 267.413 2.475 10 0 CEAERO COCC[NH2+]CC[C@@](C)(O)c1cncc2ccccc21 ZINC000091521889 180178167 /nfs/dbraw/zinc/17/81/67/180178167.db2.gz REJXAERRMSTRON-MRXNPFEDSA-N 1 0 274.364 2.068 10 0 CEAERO CCCn1c(C[C@](C)(O)C[NH3+])nc2cccc(Cl)c21 ZINC000091519605 180178233 /nfs/dbraw/zinc/17/82/33/180178233.db2.gz FMLQPCAQXBXCRR-AWEZNQCLSA-N 1 0 281.787 2.352 10 0 CEAERO COCC[NH2+]CC[C@@](C)(O)c1cccc(Cl)c1 ZINC000091523853 180178332 /nfs/dbraw/zinc/17/83/32/180178332.db2.gz WDRRZZSTGYKUIZ-CYBMUJFWSA-N 1 0 257.761 2.174 10 0 CEAERO CCc1cc(C[C@@H](O)C(C)(C)[NH+](CC)CC)n(CC)n1 ZINC000091529891 180180323 /nfs/dbraw/zinc/18/03/23/180180323.db2.gz IADMWPIHSXGOPD-OAHLLOKOSA-N 1 0 281.444 2.489 10 0 CEAERO CCC[NH2+][C@H](Cc1ncnn1CC(C)C)C(C)(C)N(C)C ZINC000091529281 180180373 /nfs/dbraw/zinc/18/03/73/180180373.db2.gz YTUHPWFGUXBXAZ-CQSZACIVSA-N 1 0 295.475 2.185 10 0 CEAERO C[NH2+][C@H](c1ccc(OC)c(OC)c1)C(C)(C)N(C)C ZINC000091528666 180180883 /nfs/dbraw/zinc/18/08/83/180180883.db2.gz MWHKAYQQOSMRBN-CQSZACIVSA-N 1 0 266.385 2.305 10 0 CEAERO CC[NH2+][C@@H](Cc1c(Cl)c(C)nn1C)C(C)(C)N(C)C ZINC000091528956 180181007 /nfs/dbraw/zinc/18/10/07/180181007.db2.gz FCZSPNPCBAVCEL-LBPRGKRZSA-N 1 0 286.851 2.243 10 0 CEAERO CC(C)([C@H](N)c1ccc2c(c1)OCCO2)[NH+]1CCCC1 ZINC000091533873 180181349 /nfs/dbraw/zinc/18/13/49/180181349.db2.gz YCMGUGFNCMWJBV-OAHLLOKOSA-N 1 0 276.380 2.332 10 0 CEAERO CC(C)([C@@H]([NH3+])Cc1ccncc1Cl)N1CCCC1 ZINC000091533734 180181439 /nfs/dbraw/zinc/18/14/39/180181439.db2.gz PYIWJJUMBMKYLK-ZDUSSCGKSA-N 1 0 267.804 2.479 10 0 CEAERO CC(C)([C@H]([NH3+])c1cc(Cl)cnc1N)N1CCCC1 ZINC000091533671 180181502 /nfs/dbraw/zinc/18/15/02/180181502.db2.gz DUZHSDIKYAHOCW-LLVKDONJSA-N 1 0 268.792 2.191 10 0 CEAERO CC[NH2+][C@H](Cc1ccccn1)C(C)(C)N1CCCC1 ZINC000091535139 180182038 /nfs/dbraw/zinc/18/20/38/180182038.db2.gz AMNCZARUWHMGBZ-OAHLLOKOSA-N 1 0 261.413 2.477 10 0 CEAERO [NH3+][C@H]1CC[C@@H](C(=O)Nc2ccc(-c3c[nH]cn3)cc2)C1 ZINC000091543560 180184989 /nfs/dbraw/zinc/18/49/89/180184989.db2.gz KTBNEXRJRHHUCK-NEPJUHHUSA-N 1 0 270.336 2.143 10 0 CEAERO CC[C@H](NC(=O)[C@H]1CC[C@H]([NH3+])C1)c1cccs1 ZINC000091544742 180185711 /nfs/dbraw/zinc/18/57/11/180185711.db2.gz GYQUIJRPLNMIRA-DCAQKATOSA-N 1 0 252.383 2.443 10 0 CEAERO CC(C)OC(=O)c1ccc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000091546616 180186913 /nfs/dbraw/zinc/18/69/13/180186913.db2.gz OSBHMDZGGCITAT-OLZOCXBDSA-N 1 0 290.363 2.318 10 0 CEAERO Cc1cc(CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)sc1C ZINC000091549146 180188434 /nfs/dbraw/zinc/18/84/34/180188434.db2.gz BCYCSRXSNPUEJA-GHMZBOCLSA-N 1 0 252.383 2.109 10 0 CEAERO CCn1nc(C)c(N)c1N[C@@H](C)C[NH+]1CCCCC1 ZINC000091554189 180189519 /nfs/dbraw/zinc/18/95/19/180189519.db2.gz OOFWQTWXUCVHJQ-NSHDSACASA-N 1 0 265.405 2.080 10 0 CEAERO CC(C)n1ccc(C[C@H](O)C2([NH+](C)C)CCCC2)n1 ZINC000091636885 180210904 /nfs/dbraw/zinc/21/09/04/180210904.db2.gz LIBKZEYHPUCKAH-AWEZNQCLSA-N 1 0 265.401 2.242 10 0 CEAERO CC(C)n1ccc(C[C@@H](O)C2([NH+](C)C)CCCC2)n1 ZINC000091636886 180211357 /nfs/dbraw/zinc/21/13/57/180211357.db2.gz LIBKZEYHPUCKAH-CQSZACIVSA-N 1 0 265.401 2.242 10 0 CEAERO CC[NH+](CC)C1([C@H](N)c2nccn2C)CCCC1 ZINC000091639168 180212528 /nfs/dbraw/zinc/21/25/28/180212528.db2.gz OKSKJLKKALRIME-GFCCVEGCSA-N 1 0 250.390 2.075 10 0 CEAERO CC[NH2+][C@@H](c1cnccc1N)C1(N(C)C)CCCC1 ZINC000091638011 180212556 /nfs/dbraw/zinc/21/25/56/180212556.db2.gz HBYDOUGMEBBLLU-AWEZNQCLSA-N 1 0 262.401 2.189 10 0 CEAERO CC[NH+](CC)C1([C@H](NC)c2ccnn2C)CCCC1 ZINC000091639557 180212566 /nfs/dbraw/zinc/21/25/66/180212566.db2.gz BNBFRQPURLVZDG-CQSZACIVSA-N 1 0 264.417 2.335 10 0 CEAERO CCn1nccc1[C@H](N)C1([NH+]2CCCC2)CCCC1 ZINC000091640517 180213435 /nfs/dbraw/zinc/21/34/35/180213435.db2.gz GPIISPSBYSFWTI-AWEZNQCLSA-N 1 0 262.401 2.311 10 0 CEAERO C[NH2+][C@H](CC[C@@H]1CCCO1)C1(N2CCOCC2)CCCC1 ZINC000091643168 180214288 /nfs/dbraw/zinc/21/42/88/180214288.db2.gz MBJKYALSOVQRQD-JKSUJKDBSA-N 1 0 296.455 2.179 10 0 CEAERO C[NH2+][C@H](c1cccnc1N)C1(N(C)C)CCCCC1 ZINC000091647687 180215424 /nfs/dbraw/zinc/21/54/24/180215424.db2.gz ZSMDSZWGJUZOEB-CYBMUJFWSA-N 1 0 262.401 2.189 10 0 CEAERO C[NH2+][C@@H](c1ccoc1)C1(N2CCOCC2)CCCC1 ZINC000091646183 180215590 /nfs/dbraw/zinc/21/55/90/180215590.db2.gz KAQKQWXUDHOGIW-AWEZNQCLSA-N 1 0 264.369 2.185 10 0 CEAERO CCn1nccc1[C@H](O)C1([NH+](C)C)CCC(C)CC1 ZINC000091648371 180215714 /nfs/dbraw/zinc/21/57/14/180215714.db2.gz DOFUXMWAYLLVPZ-BLZCZZARSA-N 1 0 265.401 2.447 10 0 CEAERO C[NH2+][C@H](CC1CCC1)C1(N2CCOCC2)CCCC1 ZINC000091646210 180215824 /nfs/dbraw/zinc/21/58/24/180215824.db2.gz NBTAQULGZNKJTH-OAHLLOKOSA-N 1 0 266.429 2.410 10 0 CEAERO CC1CCC([C@@H](O)Cc2cccnc2N)([NH+](C)C)CC1 ZINC000091648586 180216148 /nfs/dbraw/zinc/21/61/48/180216148.db2.gz HXJWEYMALQWQCT-UGWHAMFMSA-N 1 0 277.412 2.078 10 0 CEAERO C[C@@H]1CCC[C@](C(=O)C2CCOCC2)([NH+](C)C)C1 ZINC000091650034 180216206 /nfs/dbraw/zinc/21/62/06/180216206.db2.gz AODVVRUCJNODJF-DOMZBBRYSA-N 1 0 253.386 2.493 10 0 CEAERO Cc1cc(C[C@@H](N)C2([NH+](C)C)CCC(C)CC2)n(C)n1 ZINC000091648890 180216442 /nfs/dbraw/zinc/21/64/42/180216442.db2.gz MGZWCJNTKRSXKK-DSSZZKGTSA-N 1 0 278.444 2.109 10 0 CEAERO CC(C)n1ncnc1CC(=O)[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000091650360 180216461 /nfs/dbraw/zinc/21/64/61/180216461.db2.gz KBTRUXLUPRPDQV-BBRMVZONSA-N 1 0 292.427 2.481 10 0 CEAERO CCc1cc(C[C@@H](N)C2([NH+](C)C)CCC(C)CC2)n(C)n1 ZINC000091648888 180216492 /nfs/dbraw/zinc/21/64/92/180216492.db2.gz PETXDPSPHPZGNM-BLDCVEFLSA-N 1 0 292.471 2.363 10 0 CEAERO CC[NH+]1CCC(N(C)c2nc(Cl)ncc2F)CC1 ZINC000091655479 180216766 /nfs/dbraw/zinc/21/67/66/180216766.db2.gz YMMOGAHUAYVCIZ-UHFFFAOYSA-N 1 0 272.755 2.190 10 0 CEAERO CC(C)[N@@H+]1CC[C@@H](CNc2nc(Cl)ncc2F)C1 ZINC000091655544 180217652 /nfs/dbraw/zinc/21/76/52/180217652.db2.gz IZRIUCATEYGRQT-VIFPVBQESA-N 1 0 272.755 2.411 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCCc2cccnc21)C(=O)N1CCCCC1 ZINC000091661170 180218365 /nfs/dbraw/zinc/21/83/65/180218365.db2.gz YYWLSDDKPFZQOO-UKRRQHHQSA-N 1 0 287.407 2.450 10 0 CEAERO CCN(CC)C(=O)[C@@H](C)[NH2+][C@H]1CCCc2cccnc21 ZINC000091660947 180218702 /nfs/dbraw/zinc/21/87/02/180218702.db2.gz JBTWUJYTEPBTGT-OCCSQVGLSA-N 1 0 275.396 2.306 10 0 CEAERO Cn1ccnc1CC[NH2+][C@@H]1CCCc2cccnc21 ZINC000091661268 180219743 /nfs/dbraw/zinc/21/97/43/180219743.db2.gz ZBNVYSSDIOOSHK-CYBMUJFWSA-N 1 0 256.353 2.025 10 0 CEAERO CN1CCO[C@H](C[NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000091667194 180223151 /nfs/dbraw/zinc/22/31/51/180223151.db2.gz OKKFPVNZBVXYEI-HTAVTVPLSA-N 1 0 280.334 2.028 10 0 CEAERO CC[C@@H](C)n1ccc(C[C@H](O)CC[NH+](CC)CC)n1 ZINC000091714334 180231511 /nfs/dbraw/zinc/23/15/11/180231511.db2.gz AIXLWGLQNRCCGQ-UKRRQHHQSA-N 1 0 267.417 2.489 10 0 CEAERO CCCN[C@@H](CC[NH+](CC)CC)c1cnccn1 ZINC000091716768 180232324 /nfs/dbraw/zinc/23/23/24/180232324.db2.gz CDVDFRWGRZSZSX-ZDUSSCGKSA-N 1 0 250.390 2.249 10 0 CEAERO CC[NH+](CC)CC[C@@H](N)c1cc(OC)ccc1OC ZINC000091715943 180232922 /nfs/dbraw/zinc/23/29/22/180232922.db2.gz AQRCVVUSDBBHBF-CQSZACIVSA-N 1 0 266.385 2.436 10 0 CEAERO CC[NH2+][C@H](c1cc(F)ccc1C)[C@H]1CN(C)CCO1 ZINC000091718757 180233336 /nfs/dbraw/zinc/23/33/36/180233336.db2.gz NPKXCEQAWGPVML-HUUCEWRRSA-N 1 0 266.360 2.115 10 0 CEAERO CCC[NH2+][C@@H](c1ccc(OCC)cc1)[C@H]1CN(C)CCO1 ZINC000091719088 180234166 /nfs/dbraw/zinc/23/41/66/180234166.db2.gz LXOPXURFXIYDOU-SJORKVTESA-N 1 0 292.423 2.457 10 0 CEAERO CC[NH2+][C@@H](Cc1nn(CC)c2ccccc12)CN(C)C ZINC000091719846 180234196 /nfs/dbraw/zinc/23/41/96/180234196.db2.gz STPWRXLOKSOLGV-ZDUSSCGKSA-N 1 0 274.412 2.138 10 0 CEAERO CCc1ccc([C@H](CC)[NH2+][C@H]2CCOC[C@@H]2O)cc1 ZINC000624235839 350239231 /nfs/dbraw/zinc/23/92/31/350239231.db2.gz QQCJPGLLTZHMBJ-JYJNAYRXSA-N 1 0 263.381 2.440 10 0 CEAERO CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CCOC[C@@H]2O)cc1 ZINC000624235876 350239361 /nfs/dbraw/zinc/23/93/61/350239361.db2.gz RFCIZFXUWXNIOA-RCBQFDQVSA-N 1 0 279.380 2.274 10 0 CEAERO CC[NH2+][C@H](c1ccsc1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721571 180237520 /nfs/dbraw/zinc/23/75/20/180237520.db2.gz LCSASCVARKWFLP-MGPQQGTHSA-N 1 0 266.410 2.262 10 0 CEAERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1cnc2ccsc2c1 ZINC000624237178 350240470 /nfs/dbraw/zinc/24/04/70/350240470.db2.gz RGAPCCOLUXIYMZ-GAFUQQFSSA-N 1 0 278.377 2.097 10 0 CEAERO C[NH2+][C@H](Cc1ccccc1Cl)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721285 180238022 /nfs/dbraw/zinc/23/80/22/180238022.db2.gz OWQFECWTKBGUKE-BMFZPTHFSA-N 1 0 294.826 2.334 10 0 CEAERO CN[C@H](c1cc(C)ccc1OC)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721463 180238038 /nfs/dbraw/zinc/23/80/38/180238038.db2.gz FMZAXTBTUODTTN-KBRIMQKVSA-N 1 0 290.407 2.127 10 0 CEAERO CN[C@H](c1cccc(F)c1F)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721413 180238588 /nfs/dbraw/zinc/23/85/88/180238588.db2.gz FPMCLFUBTFQLJM-RIEGTJTDSA-N 1 0 282.334 2.089 10 0 CEAERO CCc1ccc(C(=O)Nc2cccc(OCC[NH3+])c2)o1 ZINC000091759194 180247303 /nfs/dbraw/zinc/24/73/03/180247303.db2.gz CQYFQLGDILNNNK-UHFFFAOYSA-N 1 0 274.320 2.432 10 0 CEAERO CCc1ccc(C(=O)N[C@]2(C[NH3+])CCC[C@H](C)C2)o1 ZINC000091777315 180251982 /nfs/dbraw/zinc/25/19/82/180251982.db2.gz SHGLISWPFGWGTP-XHDPSFHLSA-N 1 0 264.369 2.479 10 0 CEAERO COC(=O)c1ccc([C@H](C)N2CCC[C@@H]2C[NH+](C)C)o1 ZINC000091782256 180253528 /nfs/dbraw/zinc/25/35/28/180253528.db2.gz VCQIDTXXZFBXEH-NWDGAFQWSA-N 1 0 280.368 2.153 10 0 CEAERO c1ccn(N[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000091783994 180255519 /nfs/dbraw/zinc/25/55/19/180255519.db2.gz TVSPJJUZXRVHCF-MRXNPFEDSA-N 1 0 255.365 2.349 10 0 CEAERO CC[C@H](CC[NH3+])CCC(=O)Nn1c(C)ccc1C ZINC000091795611 180258328 /nfs/dbraw/zinc/25/83/28/180258328.db2.gz QNPBQBASJGNTKW-ZDUSSCGKSA-N 1 0 251.374 2.330 10 0 CEAERO CC[NH2+][C@H](CCC[C@@H]1CCCO1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721989 180239918 /nfs/dbraw/zinc/23/99/18/180239918.db2.gz FYGULUVHJIQCTB-VQHPVUNQSA-N 1 0 296.455 2.177 10 0 CEAERO CC[NH2+][C@H](C1CCCC1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721911 180240311 /nfs/dbraw/zinc/24/03/11/180240311.db2.gz WCCLXVDEASMDCC-RBSFLKMASA-N 1 0 252.402 2.018 10 0 CEAERO C[N@H+](CC1(O)CCCCC1)C1CCC2(CC1)OCCO2 ZINC000091853713 180273373 /nfs/dbraw/zinc/27/33/73/180273373.db2.gz IOUZZCGBAACHJP-UHFFFAOYSA-N 1 0 283.412 2.299 10 0 CEAERO C[N@H+](C1CCC2(CC1)OCCO2)[C@H]1CCCCC[C@@H]1O ZINC000091853771 180273384 /nfs/dbraw/zinc/27/33/84/180273384.db2.gz BNEVCSPMAQXUAT-GJZGRUSLSA-N 1 0 283.412 2.298 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)[C@H]2COc3ccccc32)CC1 ZINC000091854424 180274772 /nfs/dbraw/zinc/27/47/72/180274772.db2.gz ONCLGNMAVOGKLQ-PIMMBPRGSA-N 1 0 288.391 2.152 10 0 CEAERO CCC[NH2+][C@H](C)c1ccn(CCCC(=O)N(C)C)c1 ZINC000091806711 180260638 /nfs/dbraw/zinc/26/06/38/180260638.db2.gz RDYAOTPUYCFVOE-CYBMUJFWSA-N 1 0 265.401 2.417 10 0 CEAERO CC[NH2+][C@@H](C)c1ccn(CCCC(=O)N(C)C)c1 ZINC000091805717 180260857 /nfs/dbraw/zinc/26/08/57/180260857.db2.gz ORDKLYPRTHBQOW-LBPRGKRZSA-N 1 0 251.374 2.027 10 0 CEAERO CC[C@H]([NH3+])c1ccn(CC(=O)N2CCCCCC2)c1 ZINC000091816089 180262347 /nfs/dbraw/zinc/26/23/47/180262347.db2.gz LHGPKLORKKUZHD-AWEZNQCLSA-N 1 0 263.385 2.301 10 0 CEAERO CCC(CC)NC(=O)Cn1ccc([C@H](CC)[NH2+]C)c1 ZINC000091816974 180263221 /nfs/dbraw/zinc/26/32/21/180263221.db2.gz VCOIHXPIHNEGMC-AWEZNQCLSA-N 1 0 265.401 2.463 10 0 CEAERO CCC[C@@H]([NH2+]C)c1ccn(CCC(=O)NCC)c1 ZINC000091822130 180264063 /nfs/dbraw/zinc/26/40/63/180264063.db2.gz VTZBJJIPIZZPTN-CYBMUJFWSA-N 1 0 251.374 2.075 10 0 CEAERO CCC(CC)NC(=O)Cn1ccc([C@H]([NH3+])C(C)C)c1 ZINC000091826312 180265163 /nfs/dbraw/zinc/26/51/63/180265163.db2.gz FBEZALQAJYAMFR-OAHLLOKOSA-N 1 0 265.401 2.449 10 0 CEAERO CCN(C(=O)Cc1ccccc1OC)C1CCC([NH3+])CC1 ZINC000091850277 180271862 /nfs/dbraw/zinc/27/18/62/180271862.db2.gz LZUHVWWSZPDASG-UHFFFAOYSA-N 1 0 290.407 2.356 10 0 CEAERO [NH3+]CC1([C@@H](O)c2cn3ccccc3n2)CCCCC1 ZINC000091924368 180287507 /nfs/dbraw/zinc/28/75/07/180287507.db2.gz XWNDZUMKVKCNER-AWEZNQCLSA-N 1 0 259.353 2.277 10 0 CEAERO CC[C@H]1CC[C@](C[NH3+])(C2(O)CN(C(=O)OC(C)(C)C)C2)C1 ZINC000091925222 180287561 /nfs/dbraw/zinc/28/75/61/180287561.db2.gz RAUKSLVYHFVZCZ-WFASDCNBSA-N 1 0 298.427 2.123 10 0 CEAERO CC[NH2+]Cc1ncoc1-c1ccc(OC)c(OC)c1 ZINC000091957897 180292786 /nfs/dbraw/zinc/29/27/86/180292786.db2.gz PNSXRPFZHCCORP-UHFFFAOYSA-N 1 0 262.309 2.468 10 0 CEAERO CCC[NH2+]C1CCC(NC(=O)N(CC)CC)CC1 ZINC000091961658 180293293 /nfs/dbraw/zinc/29/32/93/180293293.db2.gz ZDYNYWSNQDITQY-UHFFFAOYSA-N 1 0 255.406 2.349 10 0 CEAERO C[NH2+]C1CCC(N(C)Cc2c(Cl)c(C)nn2C)CC1 ZINC000091872878 180277933 /nfs/dbraw/zinc/27/79/33/180277933.db2.gz YDSRSLRTORPHET-UHFFFAOYSA-N 1 0 284.835 2.344 10 0 CEAERO CC(C)Cn1ncnc1C[C@]1(C)CCCCC[NH2+]1 ZINC000091873967 180278651 /nfs/dbraw/zinc/27/86/51/180278651.db2.gz XEFSBAFWVHMSHM-AWEZNQCLSA-N 1 0 250.390 2.399 10 0 CEAERO C[NH2+]C1CCC(N(C)c2cc(C)ccc2C(N)=O)CC1 ZINC000091873630 180278852 /nfs/dbraw/zinc/27/88/52/180278852.db2.gz PJWOJALBVOWBOT-UHFFFAOYSA-N 1 0 275.396 2.061 10 0 CEAERO [NH3+]C[C@@]1([C@H](O)c2c(Cl)cccc2Cl)CCOC1 ZINC000091909860 180284846 /nfs/dbraw/zinc/28/48/46/180284846.db2.gz GHJFEMINGMKYKT-NEPJUHHUSA-N 1 0 276.163 2.392 10 0 CEAERO CCc1ccc([C@@H](O)[C@@]2(C[NH3+])COc3ccccc3C2)o1 ZINC000091912448 180285164 /nfs/dbraw/zinc/28/51/64/180285164.db2.gz HCKUZGFOAPHYAZ-SJORKVTESA-N 1 0 287.359 2.456 10 0 CEAERO [NH3+]C[C@]1([C@@H](O)c2cccc(Cl)c2Cl)CCOC1 ZINC000091910609 180285199 /nfs/dbraw/zinc/28/51/99/180285199.db2.gz FZCNHKSZIIVOOW-NWDGAFQWSA-N 1 0 276.163 2.392 10 0 CEAERO COc1ccc2cc([C@H](O)[C@]3(C[NH3+])CCOC3)ccc2c1 ZINC000091911749 180285215 /nfs/dbraw/zinc/28/52/15/180285215.db2.gz HAHGRXDNRRNILK-IRXDYDNUSA-N 1 0 287.359 2.247 10 0 CEAERO CC[C@@](C)(C[NH3+])[C@@H](O)c1cccc(OC)c1OC ZINC000091910465 180285292 /nfs/dbraw/zinc/28/52/92/180285292.db2.gz MLAAPFQYWAEMOM-KBPBESRZSA-N 1 0 253.342 2.112 10 0 CEAERO [NH3+]C[C@]1([C@H](O)c2cccc(C(F)(F)F)c2)CCOC1 ZINC000091911866 180285306 /nfs/dbraw/zinc/28/53/06/180285306.db2.gz HATARTIGONQCIR-VXGBXAGGSA-N 1 0 275.270 2.104 10 0 CEAERO CC[C@@](C)(C[NH3+])[C@H](O)c1ccc2c(c1)OCCCO2 ZINC000091912463 180285361 /nfs/dbraw/zinc/28/53/61/180285361.db2.gz BZYMNZBTCUQEMH-CABCVRRESA-N 1 0 265.353 2.256 10 0 CEAERO CC1(C)CCC(C[NH3+])([C@@H](O)[C@@H]2CCCOC2)CC1 ZINC000091913518 180285384 /nfs/dbraw/zinc/28/53/84/180285384.db2.gz GGYYCOKSBZMAJZ-OLZOCXBDSA-N 1 0 255.402 2.319 10 0 CEAERO CC[C@@](C)(C[NH3+])[C@@H](O)c1cc(OC)c(OC)cc1OC ZINC000091910961 180285409 /nfs/dbraw/zinc/28/54/09/180285409.db2.gz JMOZAJFHDJSHLG-GJZGRUSLSA-N 1 0 283.368 2.121 10 0 CEAERO CC[C@](O)(COC)[C@@]1(C[NH3+])CCCc2ccccc21 ZINC000091919635 180286512 /nfs/dbraw/zinc/28/65/12/180286512.db2.gz HDXOLGQRPXEZDI-CVEARBPZSA-N 1 0 263.381 2.007 10 0 CEAERO [NH3+]CC1([C@]2(O)CCC[C@@H](C(F)(F)F)C2)CCOCC1 ZINC000091921663 180286513 /nfs/dbraw/zinc/28/65/13/180286513.db2.gz OLOVBYUIJJXKPG-PWSUYJOCSA-N 1 0 281.318 2.226 10 0 CEAERO [NH3+]CC1([C@@]2(O)CCC[C@H](C3CC3)C2)CCOCC1 ZINC000091920306 180286620 /nfs/dbraw/zinc/28/66/20/180286620.db2.gz YUTHCUXJCGUFIU-DZGCQCFKSA-N 1 0 253.386 2.073 10 0 CEAERO COc1ccc([C@H](O)C2(C[NH3+])CCCC2)cc1F ZINC000091923926 180287179 /nfs/dbraw/zinc/28/71/79/180287179.db2.gz RQBAGTHPLUDXFV-ZDUSSCGKSA-N 1 0 253.317 2.387 10 0 CEAERO CC[C@@H]1CC[C@](C[NH3+])(C2(O)CN(C(=O)OC(C)(C)C)C2)C1 ZINC000091925221 180287353 /nfs/dbraw/zinc/28/73/53/180287353.db2.gz RAUKSLVYHFVZCZ-DOMZBBRYSA-N 1 0 298.427 2.123 10 0 CEAERO CC[NH2+][C@@H](CC)c1ccccc1OC[C@@H]1CN(C)CCO1 ZINC000092054150 180312654 /nfs/dbraw/zinc/31/26/54/180312654.db2.gz CFMZFUPOXKRWKR-HOCLYGCPSA-N 1 0 292.423 2.457 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H](C)c2ccc(C)cc2)C1 ZINC000092052453 180313034 /nfs/dbraw/zinc/31/30/34/180313034.db2.gz OKXPYVYCPWHZPB-GOEBONIOSA-N 1 0 262.397 2.366 10 0 CEAERO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CN(CC)CCO1 ZINC000092052331 180313118 /nfs/dbraw/zinc/31/31/18/180313118.db2.gz ITJUJUMUVNYFNX-RBSFLKMASA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@@H]([NH2+]C)c1ccc(OC[C@@H]2CN(C)CCO2)cc1 ZINC000092054251 180314423 /nfs/dbraw/zinc/31/44/23/180314423.db2.gz DVTNYRQJKJMUNG-JKSUJKDBSA-N 1 0 278.396 2.067 10 0 CEAERO CC[C@@H]([NH2+]C)c1ccc(OC[C@H]2CN(C)CCO2)cc1 ZINC000092054255 180314632 /nfs/dbraw/zinc/31/46/32/180314632.db2.gz DVTNYRQJKJMUNG-HZPDHXFCSA-N 1 0 278.396 2.067 10 0 CEAERO C[C@@H]1CCCN(C(=O)N2CCCCCC2)[C@H]1C[NH3+] ZINC000091971660 180295586 /nfs/dbraw/zinc/29/55/86/180295586.db2.gz SQILUBUBGCEIOA-OLZOCXBDSA-N 1 0 253.390 2.042 10 0 CEAERO O=C(N1CCC[C@H]1[C@@H]1CCC[NH2+]1)N1CCCCCC1 ZINC000091971586 180295588 /nfs/dbraw/zinc/29/55/88/180295588.db2.gz MBMRPIISAXBJBL-KBPBESRZSA-N 1 0 265.401 2.199 10 0 CEAERO CC[NH2+]C1CCC(NC(=O)N2CCC(C)CC2)CC1 ZINC000091972987 180296003 /nfs/dbraw/zinc/29/60/03/180296003.db2.gz GWUONZGJZWEOLG-UHFFFAOYSA-N 1 0 267.417 2.349 10 0 CEAERO C[C@@H]1CCCN(C(=O)Nc2ccc(F)c(C(N)=[NH2+])c2)C1 ZINC000091993394 180300430 /nfs/dbraw/zinc/30/04/30/180300430.db2.gz CXRPCNXOFVBRAW-SECBINFHSA-N 1 0 278.331 2.374 10 0 CEAERO C[C@H]1CCCN(C(=O)NC2(C(N)=[NH2+])CCCCCC2)C1 ZINC000091993354 180300482 /nfs/dbraw/zinc/30/04/82/180300482.db2.gz BLLYAIABZFFYBH-LBPRGKRZSA-N 1 0 280.416 2.457 10 0 CEAERO CNC(=O)CCCOc1ccc(C)nc1C[NH2+]C(C)(C)C ZINC000091996007 180302507 /nfs/dbraw/zinc/30/25/07/180302507.db2.gz IUTTZDDVAYMETB-UHFFFAOYSA-N 1 0 293.411 2.183 10 0 CEAERO Cc1ccc(OCC2CCOCC2)c(C[C@@H](C)[NH3+])n1 ZINC000092000286 180303854 /nfs/dbraw/zinc/30/38/54/180303854.db2.gz GIWRKEYPCMQWFY-LLVKDONJSA-N 1 0 264.369 2.085 10 0 CEAERO C[C@@H](O)c1ccc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000092001975 180304494 /nfs/dbraw/zinc/30/44/94/180304494.db2.gz SZWDZYSQEDVIBR-XPKDYRNWSA-N 1 0 260.381 2.413 10 0 CEAERO C[C@H](C[NH2+]Cc1ccc2c(c1)OCCO2)N1CCCC1 ZINC000092022069 180307508 /nfs/dbraw/zinc/30/75/08/180307508.db2.gz SKCLFOTYFIGFRN-CYBMUJFWSA-N 1 0 276.380 2.032 10 0 CEAERO Cc1cc(NC[C@H]2Cc3ccccc3O2)[nH+]cc1N ZINC000092027260 180308640 /nfs/dbraw/zinc/30/86/40/180308640.db2.gz IESFKXGHLLWERV-GFCCVEGCSA-N 1 0 255.321 2.388 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)Nc1cccc(Cl)c1-n1ccnc1 ZINC000092132970 180330687 /nfs/dbraw/zinc/33/06/87/180330687.db2.gz WAUVIWGXARKJNY-SNVBAGLBSA-N 1 0 292.770 2.320 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)N(Cc1ccco1)Cc1ccco1 ZINC000092134129 180331433 /nfs/dbraw/zinc/33/14/33/180331433.db2.gz DAKHCGNNOLUTJR-LBPRGKRZSA-N 1 0 276.336 2.257 10 0 CEAERO CC(C)=CC[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000105806586 186072187 /nfs/dbraw/zinc/07/21/87/186072187.db2.gz DHCWLLQYCQWWPT-UHFFFAOYSA-N 1 0 260.385 2.343 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)N(Cc1ccc(C)o1)C(C)C ZINC000092134591 180332401 /nfs/dbraw/zinc/33/24/01/180332401.db2.gz KZZHZHRXOQEONR-LLVKDONJSA-N 1 0 252.358 2.181 10 0 CEAERO Cc1ccc(N2CCC[N@H+](CC3CCCC3)CC2)nn1 ZINC000105801588 186072584 /nfs/dbraw/zinc/07/25/84/186072584.db2.gz DGPFEIVONHCKGZ-UHFFFAOYSA-N 1 0 274.412 2.487 10 0 CEAERO COC(C)(C)c1noc([C@@H]2C[NH2+]Cc3ccccc32)n1 ZINC000092137820 180333531 /nfs/dbraw/zinc/33/35/31/180333531.db2.gz FIAVLJFJXYBTMX-GFCCVEGCSA-N 1 0 273.336 2.186 10 0 CEAERO CCn1nc(C)c(Cl)c1C[C@H]([NH2+]C)C(C)(C)OC ZINC000092139033 180333549 /nfs/dbraw/zinc/33/35/49/180333549.db2.gz RNYFEPLKMKBINE-NSHDSACASA-N 1 0 273.808 2.420 10 0 CEAERO CC[NH2+][C@H](c1cc(Cl)cnc1N)C(C)(C)OC ZINC000092139282 180333598 /nfs/dbraw/zinc/33/35/98/180333598.db2.gz RJWUWYTWUKBXBZ-SNVBAGLBSA-N 1 0 257.765 2.393 10 0 CEAERO C[NH2+][C@H](c1cc(OC)ccc1OC)C(C)(C)OC ZINC000092139127 180333726 /nfs/dbraw/zinc/33/37/26/180333726.db2.gz CEILKLMJZHSSQW-CYBMUJFWSA-N 1 0 253.342 2.389 10 0 CEAERO CCC[NH2+][C@@H](C)[C@@H](C)c1nc(C(C)(C)OC)no1 ZINC000092141612 180334035 /nfs/dbraw/zinc/33/40/35/180334035.db2.gz AJPHNQIQLHXWRV-ZJUUUORDSA-N 1 0 255.362 2.443 10 0 CEAERO CCC[NH2+][C@H](CC)Cc1nc(C(C)(C)OC)no1 ZINC000092141389 180334103 /nfs/dbraw/zinc/33/41/03/180334103.db2.gz URBRZMQVTWUNHU-SNVBAGLBSA-N 1 0 255.362 2.272 10 0 CEAERO CC[NH2+][C@H](CC)[C@H](C)c1nc(C(C)(C)OC)no1 ZINC000092141643 180334375 /nfs/dbraw/zinc/33/43/75/180334375.db2.gz VGLFRRMPOPJGBD-VHSXEESVSA-N 1 0 255.362 2.443 10 0 CEAERO CCCn1c2ccc(C[NH3+])cc2nc1CC[C@H](C)O ZINC000092150870 180334769 /nfs/dbraw/zinc/33/47/69/180334769.db2.gz NPPHFADZTIAJKG-NSHDSACASA-N 1 0 261.369 2.218 10 0 CEAERO CC1(C)C[C@H]([NH2+]CC2(O)CCSCC2)C(C)(C)O1 ZINC000151623194 539796621 /nfs/dbraw/zinc/79/66/21/539796621.db2.gz IETFGOKSUHNVPR-NSHDSACASA-N 1 0 273.442 2.180 10 0 CEAERO Cc1cc(N)ccc1NC(=O)CC[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000092080739 180319458 /nfs/dbraw/zinc/31/94/58/180319458.db2.gz USQADRJKUJUBML-STQMWFEESA-N 1 0 275.396 2.494 10 0 CEAERO CCC[C@]1(C(=O)N2C[C@H](C)[C@H](C)C2)CCC[NH2+]C1 ZINC000092090659 180321961 /nfs/dbraw/zinc/32/19/61/180321961.db2.gz LUZILFCSFKMMCV-GUTXKFCHSA-N 1 0 252.402 2.271 10 0 CEAERO Cc1nn(C[C@@H]2COc3ccccc32)c(C)c1C[NH3+] ZINC000092304766 180360047 /nfs/dbraw/zinc/36/00/47/180360047.db2.gz AMAZHXGUVQPPTN-GFCCVEGCSA-N 1 0 257.337 2.135 10 0 CEAERO Cc1cc(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)c2ccccc2n1 ZINC000092201256 180342704 /nfs/dbraw/zinc/34/27/04/180342704.db2.gz KWQKAARRAGCBHV-NWDGAFQWSA-N 1 0 267.332 2.385 10 0 CEAERO CCC(=O)Nc1ccc(C)c(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)c1 ZINC000092202517 180342842 /nfs/dbraw/zinc/34/28/42/180342842.db2.gz ZDDMRNVQUMEDOM-NEPJUHHUSA-N 1 0 287.363 2.185 10 0 CEAERO CN(Cc1ccc(OC(F)F)cc1)C(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092204385 180343735 /nfs/dbraw/zinc/34/37/35/180343735.db2.gz SGPXFFULVIOUAJ-NWDGAFQWSA-N 1 0 296.317 2.150 10 0 CEAERO C[C@H](C1CC1)N(CC(F)(F)F)C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092204792 180343744 /nfs/dbraw/zinc/34/37/44/180343744.db2.gz NPPXMYJAFMENCD-FBIMIBRVSA-N 1 0 276.302 2.079 10 0 CEAERO C[C@H](c1ccc(F)cc1)N(C)C(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092204686 180343748 /nfs/dbraw/zinc/34/37/48/180343748.db2.gz SQEMFPZXCOFJDW-SCDSUCTJSA-N 1 0 262.328 2.249 10 0 CEAERO CN(Cc1nc2ccccc2s1)C(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092204605 180343921 /nfs/dbraw/zinc/34/39/21/180343921.db2.gz ISKJDYXLLGUNKB-WDEREUQCSA-N 1 0 287.388 2.158 10 0 CEAERO CCN(Cc1cccc(F)c1)C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092204558 180343934 /nfs/dbraw/zinc/34/39/34/180343934.db2.gz GDYGHQPQJKLSTK-TZMCWYRMSA-N 1 0 262.328 2.078 10 0 CEAERO CCC(=O)Nc1cccc(NC(=O)[C@H]2C=C[C@H]([NH3+])C2)c1C ZINC000092203807 180343962 /nfs/dbraw/zinc/34/39/62/180343962.db2.gz MXBKLFVPPNEJKP-RYUDHWBXSA-N 1 0 287.363 2.185 10 0 CEAERO CC(C)c1csc(NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)n1 ZINC000092206934 180344362 /nfs/dbraw/zinc/34/43/62/180344362.db2.gz ZHXPNVWATWMPPZ-RKDXNWHRSA-N 1 0 251.355 2.108 10 0 CEAERO CCOC(=O)c1cc(C)sc1NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092207666 180344853 /nfs/dbraw/zinc/34/48/53/180344853.db2.gz YYSPLDIOLAQBML-NXEZZACHSA-N 1 0 294.376 2.075 10 0 CEAERO CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000092231802 180347916 /nfs/dbraw/zinc/34/79/16/180347916.db2.gz LNXHYHITBRKKLQ-QWHCGFSZSA-N 1 0 264.394 2.408 10 0 CEAERO CSc1ccc(C(=O)N[C@H]2CCCC[NH2+]C2)cc1 ZINC000092232202 180348338 /nfs/dbraw/zinc/34/83/38/180348338.db2.gz RYXNHMLVYHZBLG-LBPRGKRZSA-N 1 0 264.394 2.280 10 0 CEAERO CN(C(=O)[C@H]1CSc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000092239453 180350718 /nfs/dbraw/zinc/35/07/18/180350718.db2.gz NWBZKUIHMZZDPR-YPMHNXCESA-N 1 0 276.405 2.086 10 0 CEAERO CC[NH2+]CCc1nnc([C@H]2CSc3ccccc32)o1 ZINC000092240374 180351324 /nfs/dbraw/zinc/35/13/24/180351324.db2.gz OXQRUAKPDWRGMK-NSHDSACASA-N 1 0 275.377 2.459 10 0 CEAERO CC[C@H]1C[NH2+]CCN1CCSc1ccccc1 ZINC000092263343 180354983 /nfs/dbraw/zinc/35/49/83/180354983.db2.gz HOEFVLHBHYWJCB-ZDUSSCGKSA-N 1 0 250.411 2.463 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H](C)N1C[C@@H]1Cc2ccccc2S1 ZINC000092267821 180355538 /nfs/dbraw/zinc/35/55/38/180355538.db2.gz VCKRSJJANNJLIR-SCRDCRAPSA-N 1 0 262.422 2.386 10 0 CEAERO Cc1c(C[NH3+])cnn1C[C@H]1Cc2ccccc2S1 ZINC000092271855 180356183 /nfs/dbraw/zinc/35/61/83/180356183.db2.gz OHMJPLBJXPLQAV-CYBMUJFWSA-N 1 0 259.378 2.367 10 0 CEAERO CCN1CCC[C@@H]1C[NH2+]C[C@@H]1COc2ccccc21 ZINC000092299356 180358915 /nfs/dbraw/zinc/35/89/15/180358915.db2.gz SPEIRVXMIUJALG-ZIAGYGMSSA-N 1 0 260.381 2.237 10 0 CEAERO CC(=O)C1CC[NH+](C[C@@H]2COc3ccccc32)CC1 ZINC000092301867 180359341 /nfs/dbraw/zinc/35/93/41/180359341.db2.gz FXDDLKYMSCSYTB-CQSZACIVSA-N 1 0 259.349 2.464 10 0 CEAERO CC[N@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000105874539 186081902 /nfs/dbraw/zinc/08/19/02/186081902.db2.gz XSCTVAMJGUMEEP-GFCCVEGCSA-N 1 0 254.399 2.073 10 0 CEAERO c1cnn(CC2CC[NH+](C[C@@H]3CCCCO3)CC2)c1 ZINC000105886168 186082755 /nfs/dbraw/zinc/08/27/55/186082755.db2.gz YJSVRJSXUOMQOS-HNNXBMFYSA-N 1 0 263.385 2.164 10 0 CEAERO CC(C)C[C@H]1C[NH2+]CCN1C[C@@H]1COc2ccccc21 ZINC000092307274 180360838 /nfs/dbraw/zinc/36/08/38/180360838.db2.gz MCFNCPQYKOGERJ-CABCVRRESA-N 1 0 274.408 2.483 10 0 CEAERO C[C@@]1(C2CC2)CN(C[C@@H]2COc3ccccc32)CC[NH2+]1 ZINC000092307240 180360859 /nfs/dbraw/zinc/36/08/59/180360859.db2.gz HKINAQPZUXALSB-DYVFJYSZSA-N 1 0 272.392 2.237 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)OCc2cccc(Cl)c2)C1 ZINC000092177586 180336970 /nfs/dbraw/zinc/33/69/70/180336970.db2.gz MJMLJQJVSKIYDK-CMPLNLGQSA-N 1 0 251.713 2.287 10 0 CEAERO COc1ccccc1Cc1noc([C@H]2C=C[C@@H]([NH3+])C2)n1 ZINC000092181525 180338128 /nfs/dbraw/zinc/33/81/28/180338128.db2.gz XFHLEGCTCDDBKV-NWDGAFQWSA-N 1 0 271.320 2.040 10 0 CEAERO CC[C@H]1CN(Cc2ccc(Cl)nc2)CC[N@@H+]1CCOC ZINC000105836646 186077136 /nfs/dbraw/zinc/07/71/36/186077136.db2.gz LQOFODBHKRHMBX-AWEZNQCLSA-N 1 0 297.830 2.278 10 0 CEAERO Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC000105850367 186078152 /nfs/dbraw/zinc/07/81/52/186078152.db2.gz KXUOCSMUKKNGAF-CQSZACIVSA-N 1 0 292.427 2.041 10 0 CEAERO CC[NH2+]CCc1c(CC)nc(N2CCCC2)nc1CC ZINC000092318662 180361610 /nfs/dbraw/zinc/36/16/10/180361610.db2.gz WQMDKFGVGXKJLY-UHFFFAOYSA-N 1 0 276.428 2.354 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CCCCCO ZINC000105922149 186090449 /nfs/dbraw/zinc/09/04/49/186090449.db2.gz FJXYAKBCOQNIMT-AWEZNQCLSA-N 1 0 265.401 2.336 10 0 CEAERO CC[NH2+]CCc1c(CC)nc([C@H]2CCOC2)nc1CC ZINC000092318655 180361662 /nfs/dbraw/zinc/36/16/62/180361662.db2.gz MZXRRKJFNFQYOZ-LBPRGKRZSA-N 1 0 277.412 2.257 10 0 CEAERO CCc1nc(CCOC)nc(CC)c1CC[NH2+]C1CC1 ZINC000092318894 180361678 /nfs/dbraw/zinc/36/16/78/180361678.db2.gz BBVHPJXBZGMZBW-UHFFFAOYSA-N 1 0 277.412 2.085 10 0 CEAERO Cc1noc(C)c1[C@H](C)NC(=O)[C@H]1CCCCC[NH2+]1 ZINC000092329293 180363737 /nfs/dbraw/zinc/36/37/37/180363737.db2.gz PQPPTEXJKGQRFV-JOYOIKCWSA-N 1 0 265.357 2.001 10 0 CEAERO CC[C@@H]1CN(Cc2ccccc2F)CC[N@@H+]1C[C@@H](C)O ZINC000106101652 186101485 /nfs/dbraw/zinc/10/14/85/186101485.db2.gz ITKZFDYNXQNGLH-UKRRQHHQSA-N 1 0 280.387 2.103 10 0 CEAERO CC[C@H]1CN(Cc2ccc(C)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000106103898 186102573 /nfs/dbraw/zinc/10/25/73/186102573.db2.gz DFTFMLSVZMXXBJ-WBVHZDCISA-N 1 0 276.424 2.272 10 0 CEAERO CC(C)(C)[NH2+]CC(=O)N1CC[C@H]2CCCC[C@H]2C1 ZINC000106110231 186103023 /nfs/dbraw/zinc/10/30/23/186103023.db2.gz PXFCYNWJCYINQR-OLZOCXBDSA-N 1 0 252.402 2.413 10 0 CEAERO CC[NH2+]C[C@H]1CCN([C@@H](C)c2c(C)noc2C)C1 ZINC000092339870 180365363 /nfs/dbraw/zinc/36/53/63/180365363.db2.gz IXHPPYHSNGYHNR-WCQYABFASA-N 1 0 251.374 2.284 10 0 CEAERO Cc1noc(C)c1CN1CC[NH2+][C@@H](CC(C)C)C1 ZINC000092342603 180366105 /nfs/dbraw/zinc/36/61/05/180366105.db2.gz ACAPTMNPBZMLBU-ZDUSSCGKSA-N 1 0 251.374 2.111 10 0 CEAERO COC(=O)C[C@@H](C[NH3+])c1cc(C)nc2ccccc21 ZINC000092346915 180366335 /nfs/dbraw/zinc/36/63/35/180366335.db2.gz LUOIIPLWKWSEEQ-NSHDSACASA-N 1 0 258.321 2.149 10 0 CEAERO CC[C@@H](C)[N@H+](CCOC)Cc1cccc(NC)n1 ZINC000092369651 180369872 /nfs/dbraw/zinc/36/98/72/180369872.db2.gz HMEJZGKIAGCPHG-GFCCVEGCSA-N 1 0 251.374 2.370 10 0 CEAERO COc1cccc(N(C)Cc2cccc(NN)[nH+]2)c1 ZINC000092369392 180369973 /nfs/dbraw/zinc/36/99/73/180369973.db2.gz JZCXODGCTMCBMU-UHFFFAOYSA-N 1 0 258.325 2.012 10 0 CEAERO CCC[C@@H]1CCC(=O)N(Cc2cccc(NN)[nH+]2)CC1 ZINC000092371167 180370092 /nfs/dbraw/zinc/37/00/92/180370092.db2.gz CUJNJGAAOHHYDK-GFCCVEGCSA-N 1 0 276.384 2.296 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1nnc(C(C)C)o1 ZINC000106378376 186111720 /nfs/dbraw/zinc/11/17/20/186111720.db2.gz RHZJANIGVXKKHV-GFCCVEGCSA-N 1 0 266.389 2.109 10 0 CEAERO NNc1cccc(CN(Cc2ccco2)C2CC2)[nH+]1 ZINC000092369737 180370437 /nfs/dbraw/zinc/37/04/37/180370437.db2.gz AHWBEFMINCTLSG-UHFFFAOYSA-N 1 0 258.325 2.125 10 0 CEAERO COCCc1ccc(OCc2cccc(NN)[nH+]2)cc1 ZINC000092371657 180370866 /nfs/dbraw/zinc/37/08/66/180370866.db2.gz OZJHJKOHQAHRKW-UHFFFAOYSA-N 1 0 273.336 2.135 10 0 CEAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCc1ccco1 ZINC000106423645 186116131 /nfs/dbraw/zinc/11/61/31/186116131.db2.gz OGEJYCHKDHGLKH-OAHLLOKOSA-N 1 0 272.348 2.069 10 0 CEAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CC(=O)NC(C)(C)C ZINC000105894774 186086180 /nfs/dbraw/zinc/08/61/80/186086180.db2.gz STOYNQXBODLVMU-CYBMUJFWSA-N 1 0 292.427 2.089 10 0 CEAERO COc1ccc2c(c1)[C@H](N1CCC[NH2+]CC1)CCC2 ZINC000092387135 180374449 /nfs/dbraw/zinc/37/44/49/180374449.db2.gz KMCMGDRCRNLZGX-MRXNPFEDSA-N 1 0 260.381 2.368 10 0 CEAERO CC[S@@](=O)[C@@H]1CCc2ccc(OC)cc2[C@@H]1[NH2+]C ZINC000092388809 180374554 /nfs/dbraw/zinc/37/45/54/180374554.db2.gz POGZFPWHYHFSTR-GLJUWKHASA-N 1 0 267.394 2.039 10 0 CEAERO CC[NH2+][C@@H]1c2cc(OC)ccc2CC[C@H]1S(=O)(=O)CC ZINC000092388592 180374660 /nfs/dbraw/zinc/37/46/60/180374660.db2.gz GCALLKJSODTWOV-HUUCEWRRSA-N 1 0 297.420 2.095 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@@H](Sc1nnc(C)o1)CC2 ZINC000092389893 180375567 /nfs/dbraw/zinc/37/55/67/180375567.db2.gz DLOJJQKHVBPIFI-STQMWFEESA-N 1 0 291.376 2.494 10 0 CEAERO COc1cc([C@H](C)[NH2+][C@H](CO)C(C)C)ccc1O ZINC000092393707 180376055 /nfs/dbraw/zinc/37/60/55/180376055.db2.gz NSQYQNCMOLGAOZ-CMPLNLGQSA-N 1 0 253.342 2.068 10 0 CEAERO Cc1cccc(CN2Cc3ccccc3C[C@H]2C[NH3+])n1 ZINC000092429964 180384089 /nfs/dbraw/zinc/38/40/89/180384089.db2.gz ALLFZWRLPJMFOL-KRWDZBQOSA-N 1 0 267.376 2.276 10 0 CEAERO CCCN(Cc1cc(Cl)ccn1)[C@@H]1CC[NH2+]C1 ZINC000092417215 180381005 /nfs/dbraw/zinc/38/10/05/180381005.db2.gz ZKKYFTSPVRKRGV-CYBMUJFWSA-N 1 0 253.777 2.309 10 0 CEAERO CCC[C@@H](CC)[NH2+][C@H]1CC(=O)N(C(CC)CC)C1=O ZINC000106534160 186125581 /nfs/dbraw/zinc/12/55/81/186125581.db2.gz YNBIVCZPCPGAPP-YPMHNXCESA-N 1 0 268.401 2.471 10 0 CEAERO c1ccc2sc(CNC[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000107795653 186191853 /nfs/dbraw/zinc/19/18/53/186191853.db2.gz RTRZYDCDKRHUCJ-LLVKDONJSA-N 1 0 261.394 2.386 10 0 CEAERO [NH3+][C@@H]1CCc2nnc(-c3cccc4ccccc43)n2C1 ZINC000107820677 186193493 /nfs/dbraw/zinc/19/34/93/186193493.db2.gz AXOJNOIWRCORDK-GFCCVEGCSA-N 1 0 264.332 2.372 10 0 CEAERO C[C@H]1C[C@@H]([NH3+])Cn2cc(-c3ccc4c(c3)OCCO4)nc21 ZINC000107827595 186193757 /nfs/dbraw/zinc/19/37/57/186193757.db2.gz BJJNQEBMQHUQKW-CMPLNLGQSA-N 1 0 285.347 2.156 10 0 CEAERO C[C@@H]1C[C@H]([NH3+])Cn2cc(-c3ccc4c(c3)OCCO4)nc21 ZINC000107827586 186193759 /nfs/dbraw/zinc/19/37/59/186193759.db2.gz BJJNQEBMQHUQKW-PWSUYJOCSA-N 1 0 285.347 2.156 10 0 CEAERO CCc1ccc([C@@H](C)[NH2+]CC(C)(C)NS(C)(=O)=O)cc1 ZINC000109041626 186241660 /nfs/dbraw/zinc/24/16/60/186241660.db2.gz GGAICOCGFGZPLL-GFCCVEGCSA-N 1 0 298.452 2.227 10 0 CEAERO O[C@@H](C[NH2+]CC1(O)CCCCC1)c1ccc(F)c(F)c1 ZINC000109122102 186244512 /nfs/dbraw/zinc/24/45/12/186244512.db2.gz GOMGGUPRYZLYMB-AWEZNQCLSA-N 1 0 285.334 2.283 10 0 CEAERO CNC(=O)c1ccc(C[N@@H+]2CCC[C@H]2c2cnn(C)c2)cc1 ZINC000109005108 186239546 /nfs/dbraw/zinc/23/95/46/186239546.db2.gz RFRAJELLADWNCM-INIZCTEOSA-N 1 0 298.390 2.117 10 0 CEAERO C[NH2+][C@H](C)[C@H](c1nc(-c2ccncc2)no1)C(C)C ZINC000109498539 186256453 /nfs/dbraw/zinc/25/64/53/186256453.db2.gz SRPCJHKMIPZTMF-ZYHUDNBSSA-N 1 0 260.341 2.479 10 0 CEAERO C[NH2+][C@@H](C)[C@@H](c1nc(-c2ccccn2)no1)C(C)C ZINC000109497516 186256713 /nfs/dbraw/zinc/25/67/13/186256713.db2.gz BHRUQVYAZCDPBJ-JQWIXIFHSA-N 1 0 260.341 2.479 10 0 CEAERO C[NH2+][C@H](C)[C@H](C)c1nc(-c2ccccc2OC)no1 ZINC000109503856 186257108 /nfs/dbraw/zinc/25/71/08/186257108.db2.gz PBQIUFLHMPFIPU-VHSXEESVSA-N 1 0 261.325 2.457 10 0 CEAERO CC[C@@H](Cc1nc(Cc2ccc(F)cc2)no1)[NH2+]C ZINC000109501483 186257444 /nfs/dbraw/zinc/25/74/44/186257444.db2.gz YAQFGSVFKIECAV-LBPRGKRZSA-N 1 0 263.316 2.340 10 0 CEAERO CC[NH2+][C@H](C)[C@H](c1nc(-c2ncccn2)no1)C(C)C ZINC000109505583 186257686 /nfs/dbraw/zinc/25/76/86/186257686.db2.gz LYEQYHAJGFUDLJ-GHMZBOCLSA-N 1 0 275.356 2.264 10 0 CEAERO C[NH2+][C@H]1CCCC[C@@H]1c1nc(Cc2ccccn2)no1 ZINC000109499711 186257860 /nfs/dbraw/zinc/25/78/60/186257860.db2.gz CLOYWASRGXKLQF-STQMWFEESA-N 1 0 272.352 2.301 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1c1nc(COc2ccccc2)no1 ZINC000109509265 186258267 /nfs/dbraw/zinc/25/82/67/186258267.db2.gz YOZLPHTVCRXGOZ-RYUDHWBXSA-N 1 0 259.309 2.243 10 0 CEAERO C[C@H]([NH3+])CCc1nc(C2(c3ccccc3)CC2)no1 ZINC000109513520 186258288 /nfs/dbraw/zinc/25/82/88/186258288.db2.gz GQENPPXGYQDDLG-NSHDSACASA-N 1 0 257.337 2.429 10 0 CEAERO C[NH2+][C@@H](COC)Cc1nc(-c2ccc(F)c(Cl)c2)no1 ZINC000109514019 186258564 /nfs/dbraw/zinc/25/85/64/186258564.db2.gz TZZBDKWSZGHQKP-SECBINFHSA-N 1 0 299.733 2.306 10 0 CEAERO COc1cccc(Cc2noc([C@@H]3CCC[C@@H]3[NH3+])n2)c1 ZINC000109513077 186258694 /nfs/dbraw/zinc/25/86/94/186258694.db2.gz CEELWUQKEJVXQW-OLZOCXBDSA-N 1 0 273.336 2.264 10 0 CEAERO C[NH2+][C@H](C)Cc1nc(C2(c3ccccc3)CC2)no1 ZINC000109513580 186258722 /nfs/dbraw/zinc/25/87/22/186258722.db2.gz PPHLILNWDWCRBV-LLVKDONJSA-N 1 0 257.337 2.300 10 0 CEAERO C[NH2+][C@H]1CCC[C@@H]1c1nc(-c2ncccc2C)no1 ZINC000109519060 186259210 /nfs/dbraw/zinc/25/92/10/186259210.db2.gz VDDSTGOHOOEHOR-QWRGUYRKSA-N 1 0 258.325 2.296 10 0 CEAERO CC(C)[C@]1(C)CC(=O)N(Cc2ccc(C[NH3+])cc2F)C1=O ZINC000109540565 186261134 /nfs/dbraw/zinc/26/11/34/186261134.db2.gz NNLKOXKRGGBPQX-INIZCTEOSA-N 1 0 292.354 2.206 10 0 CEAERO COc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2O)c(OC)c1 ZINC000109554112 186262548 /nfs/dbraw/zinc/26/25/48/186262548.db2.gz UUTYTHBVJQUEMM-GJZGRUSLSA-N 1 0 279.380 2.487 10 0 CEAERO CC[NH2+][C@@H]1C(=O)Nc2cc(OCC(F)(F)F)ccc21 ZINC000109573550 186263697 /nfs/dbraw/zinc/26/36/97/186263697.db2.gz GIIIAIDHXCUGFC-JTQLQIEISA-N 1 0 274.242 2.230 10 0 CEAERO CN(Cc1cnn(C)c1)c1cc(C[NH3+])nc2ccccc21 ZINC000109589181 186265151 /nfs/dbraw/zinc/26/51/51/186265151.db2.gz SEBOTRCRBMFPPD-UHFFFAOYSA-N 1 0 281.363 2.063 10 0 CEAERO COc1cccc(NC(=S)N2CCC[C@@H]2C[NH+](C)C)c1 ZINC000109671022 186269019 /nfs/dbraw/zinc/26/90/19/186269019.db2.gz PUVVBAQDSSLRBA-CYBMUJFWSA-N 1 0 293.436 2.418 10 0 CEAERO C[C@H](CC[NH2+]CCc1nncn1C)c1ccccc1 ZINC000109422866 186251284 /nfs/dbraw/zinc/25/12/84/186251284.db2.gz QXDHMSSEDFWVHC-CYBMUJFWSA-N 1 0 258.369 2.141 10 0 CEAERO COc1ccc([C@H]([NH2+]CCc2nncn2C)C2CC2)cc1 ZINC000109422401 186252093 /nfs/dbraw/zinc/25/20/93/186252093.db2.gz VAGLEAGQIOYPIC-MRXNPFEDSA-N 1 0 286.379 2.107 10 0 CEAERO [NH3+]C[C@]1(N2CCC3(CCCCC3)CC2)CCOC1 ZINC000109431853 186252458 /nfs/dbraw/zinc/25/24/58/186252458.db2.gz CAJACCPUYGNMOM-OAHLLOKOSA-N 1 0 252.402 2.151 10 0 CEAERO CCCC[C@H](CC)C[NH+]1CCN([C@H](C)C(N)=S)CC1 ZINC000109468033 186254291 /nfs/dbraw/zinc/25/42/91/186254291.db2.gz PMIYMICFJKTODM-KGLIPLIRSA-N 1 0 285.501 2.495 10 0 CEAERO CC(C)(C(N)=S)[NH+]1CCN(Cc2ccccc2F)CC1 ZINC000109470885 186254826 /nfs/dbraw/zinc/25/48/26/186254826.db2.gz LRWXWMWREWPFKG-UHFFFAOYSA-N 1 0 295.427 2.008 10 0 CEAERO CCc1nc([C@@H](CC)N2CC[NH2+]CC2)sc1C ZINC000109472538 186255241 /nfs/dbraw/zinc/25/52/41/186255241.db2.gz VFPXYTPXGHEDPI-GFCCVEGCSA-N 1 0 253.415 2.370 10 0 CEAERO Cc1nnc(SCC[NH2+][C@@H]2CCC[C@H](C)C2)n1C ZINC000110250254 186288961 /nfs/dbraw/zinc/28/89/61/186288961.db2.gz TXRMYEOSRVUAHP-CMPLNLGQSA-N 1 0 268.430 2.384 10 0 CEAERO Cc1nnc(SCC[NH2+][C@H]2CCC[C@H](C)C2)n1C ZINC000110250257 186289131 /nfs/dbraw/zinc/28/91/31/186289131.db2.gz TXRMYEOSRVUAHP-JQWIXIFHSA-N 1 0 268.430 2.384 10 0 CEAERO CCCc1nc(N2CC[C@@H]([NH+]3CCCC3)C2)sc1CO ZINC000110276238 186289403 /nfs/dbraw/zinc/28/94/03/186289403.db2.gz ZIYUWOJEIYKUGV-GFCCVEGCSA-N 1 0 295.452 2.262 10 0 CEAERO CCCC(CCC)(C(N)=S)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000110272519 186289574 /nfs/dbraw/zinc/28/95/74/186289574.db2.gz IARPYAZZJMRVQW-GFCCVEGCSA-N 1 0 299.484 2.022 10 0 CEAERO Cc1cc(CN2CC[C@@H]([NH+]3CCCC3)C2)ccc1N ZINC000110370898 186294221 /nfs/dbraw/zinc/29/42/21/186294221.db2.gz VRUNCRHTXGSLFK-OAHLLOKOSA-N 1 0 259.397 2.247 10 0 CEAERO CC[NH+](CC)[C@@H]1CCN(C[C@@H]2CNc3ccccc3O2)C1 ZINC000110370654 186294681 /nfs/dbraw/zinc/29/46/81/186294681.db2.gz MOQFVNCYTPMHOX-CABCVRRESA-N 1 0 289.423 2.276 10 0 CEAERO C[NH2+][C@H](C)Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000110445058 186296104 /nfs/dbraw/zinc/29/61/04/186296104.db2.gz USNAGDBPSHWFNN-ZCFIWIBFSA-N 1 0 271.242 2.304 10 0 CEAERO CCCOCc1noc([C@H](C)[C@H](CC)[NH2+]CC)n1 ZINC000110470706 186297775 /nfs/dbraw/zinc/29/77/75/186297775.db2.gz LINWDEIEUUPOSP-MNOVXSKESA-N 1 0 255.362 2.488 10 0 CEAERO CCC[NH2+][C@H](CC)[C@H](C)c1nc(-c2ncccn2)no1 ZINC000110478753 186299273 /nfs/dbraw/zinc/29/92/73/186299273.db2.gz GQODRIZEBDCCJF-WDEREUQCSA-N 1 0 275.356 2.408 10 0 CEAERO C[NH2+][C@H](C)Cc1nc(Cc2ccc(C)c(C)c2)no1 ZINC000110514269 186300293 /nfs/dbraw/zinc/30/02/93/186300293.db2.gz KJGDMLKONHGKBQ-GFCCVEGCSA-N 1 0 259.353 2.428 10 0 CEAERO [NH3+]Cc1ccc(O[C@H]2CCOC2)cc1C(F)(F)F ZINC000110524719 186301305 /nfs/dbraw/zinc/30/13/05/186301305.db2.gz LLVFBHVTFMEKIG-JTQLQIEISA-N 1 0 261.243 2.332 10 0 CEAERO COc1cc([C@H]([NH3+])[C@H]2CCOC2)cc(Cl)c1OC ZINC000110533688 186301869 /nfs/dbraw/zinc/30/18/69/186301869.db2.gz PVTAYKMJKNTEPB-QPUJVOFHSA-N 1 0 271.744 2.394 10 0 CEAERO CC[NH2+]C[C@@H](O[C@H]1CCOC1)c1cccc(OC)c1 ZINC000110530193 186301957 /nfs/dbraw/zinc/30/19/57/186301957.db2.gz PKWZKCQNSHTZQA-LSDHHAIUSA-N 1 0 265.353 2.151 10 0 CEAERO CC[NH2+]C[C@H](O[C@H]1CCOC1)c1ccc(F)cc1 ZINC000110529644 186301975 /nfs/dbraw/zinc/30/19/75/186301975.db2.gz ODKJQGSQWHDLOS-KBPBESRZSA-N 1 0 253.317 2.282 10 0 CEAERO C[NH2+]C[C@@H](O[C@H]1CCOC1)c1cccc(Cl)c1 ZINC000110529577 186302056 /nfs/dbraw/zinc/30/20/56/186302056.db2.gz FNYBLYJHKCOREI-QWHCGFSZSA-N 1 0 255.745 2.406 10 0 CEAERO CC[NH2+]C[C@@H](O[C@@H]1CCOC1)c1ccccc1OC ZINC000110530260 186302268 /nfs/dbraw/zinc/30/22/68/186302268.db2.gz NUPQEDSKCGXYEC-IUODEOHRSA-N 1 0 265.353 2.151 10 0 CEAERO C[C@@](O)(c1cccc2cnccc21)[C@H]1CCC[NH2+]C1 ZINC000110552188 186303103 /nfs/dbraw/zinc/30/31/03/186303103.db2.gz JLWZMVXNLCSLQR-BBRMVZONSA-N 1 0 256.349 2.442 10 0 CEAERO COc1cccc(NC(=O)Cc2ccc(C[NH3+])cc2)c1 ZINC000110611651 186304207 /nfs/dbraw/zinc/30/42/07/186304207.db2.gz OHJYXJXHMJGMHG-UHFFFAOYSA-N 1 0 270.332 2.335 10 0 CEAERO CC[N@@H+]1CC[C@@H](CNc2cc(OC)c(F)cc2N)C1 ZINC000110626527 186306885 /nfs/dbraw/zinc/30/68/85/186306885.db2.gz RIABDURMSCPXSV-JTQLQIEISA-N 1 0 267.348 2.170 10 0 CEAERO COc1cc2c(cc1F)[nH+]c(N)n2CCc1nccs1 ZINC000110630192 186307175 /nfs/dbraw/zinc/30/71/75/186307175.db2.gz VSVFPYJZVLCREO-UHFFFAOYSA-N 1 0 292.339 2.465 10 0 CEAERO COCC[NH2+]Cc1c(C)nn(C)c1N1CCC[C@H](C)CC1 ZINC000110807706 186326623 /nfs/dbraw/zinc/32/66/23/186326623.db2.gz IMLLWKSZHFIBGY-ZDUSSCGKSA-N 1 0 294.443 2.091 10 0 CEAERO CCCN[C@@H](CC[N@H+](C)CC1CCCC1)C(=O)OCC ZINC000110841153 186328021 /nfs/dbraw/zinc/32/80/21/186328021.db2.gz NBXLMHOJLHEDEL-HNNXBMFYSA-N 1 0 284.444 2.430 10 0 CEAERO Cc1nc2sccn2c1C[NH2+]CC1CCOCC1 ZINC000110909034 186331570 /nfs/dbraw/zinc/33/15/70/186331570.db2.gz YKHRTDKAWCAUTO-UHFFFAOYSA-N 1 0 265.382 2.220 10 0 CEAERO CN(C(=O)c1cccc2cccnc21)[C@H]1CCC[NH2+]C1 ZINC000110926984 186333250 /nfs/dbraw/zinc/33/32/50/186333250.db2.gz JNBYFMGOLFQKEN-ZDUSSCGKSA-N 1 0 269.348 2.059 10 0 CEAERO c1ccc(-c2nn[nH]c2C[NH2+]CC[C@H]2CCCO2)cc1 ZINC000110925038 186333329 /nfs/dbraw/zinc/33/33/29/186333329.db2.gz WGGRAEFFHCEIBB-CYBMUJFWSA-N 1 0 272.352 2.130 10 0 CEAERO C[C@@H](c1nc2ccccc2n1C)N(C)[C@@H]1CCC[NH2+]C1 ZINC000110926588 186333666 /nfs/dbraw/zinc/33/36/66/186333666.db2.gz RNZFKPCASHJQIS-QWHCGFSZSA-N 1 0 272.396 2.318 10 0 CEAERO CCN(C(=O)c1ccc(C)s1)[C@H]1CCC[NH2+]C1 ZINC000110939867 186334162 /nfs/dbraw/zinc/33/41/62/186334162.db2.gz NUHLJIKKTQIHDR-NSHDSACASA-N 1 0 252.383 2.271 10 0 CEAERO CCN(c1cnnc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000110947163 186335907 /nfs/dbraw/zinc/33/59/07/186335907.db2.gz VENREWDCEIEHQU-GFCCVEGCSA-N 1 0 256.353 2.208 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(C)cc1O[C@H](C)C(=O)OC ZINC000110960309 186336930 /nfs/dbraw/zinc/33/69/30/186336930.db2.gz ZXSHNESLXHQCJG-WDEREUQCSA-N 1 0 251.326 2.216 10 0 CEAERO Cc1cccc([C@H](SCCS(C)(=O)=O)[C@@H](C)[NH3+])c1 ZINC000111004427 186341502 /nfs/dbraw/zinc/34/15/02/186341502.db2.gz RZSQIFYADYWVIS-DGCLKSJQSA-N 1 0 287.450 2.161 10 0 CEAERO NC(=[NH2+])c1ccccc1COc1ccccc1CO ZINC000110993799 186340670 /nfs/dbraw/zinc/34/06/70/186340670.db2.gz INOZTSSSQABTPW-UHFFFAOYSA-N 1 0 256.305 2.042 10 0 CEAERO CC[C@H]1CN(C(=O)c2ccc(Cl)c(N)c2)CC[N@@H+]1C ZINC000110700889 186314126 /nfs/dbraw/zinc/31/41/26/186314126.db2.gz SDLJNGUBTGHYJK-NSHDSACASA-N 1 0 281.787 2.088 10 0 CEAERO C[C@@H]1CN(Cc2nc3sccc3c(Cl)n2)CC[N@@H+]1C ZINC000110717454 186315447 /nfs/dbraw/zinc/31/54/47/186315447.db2.gz MREDSWMOCGGMSA-SECBINFHSA-N 1 0 296.827 2.481 10 0 CEAERO CCc1ccc([C@H](O)C[N@@H+]2CCN(C)C(C)(C)C2)cc1 ZINC000110736291 186316987 /nfs/dbraw/zinc/31/69/87/186316987.db2.gz QVMXLLQLTVFMRJ-MRXNPFEDSA-N 1 0 276.424 2.308 10 0 CEAERO CC[C@@H]1C[N@@H+]([C@@H]2CCc3ccccc3[C@@H]2O)CCN1C ZINC000110735968 186317009 /nfs/dbraw/zinc/31/70/09/186317009.db2.gz PYVMNQWMEXSZFJ-OIISXLGYSA-N 1 0 274.408 2.061 10 0 CEAERO CC[N@@H+]1CCN(Cc2cc3ccccc3nc2N)C[C@@H]1C ZINC000110742459 186318538 /nfs/dbraw/zinc/31/85/38/186318538.db2.gz IQCWVLGFVOTBRH-ZDUSSCGKSA-N 1 0 284.407 2.343 10 0 CEAERO CCNc1ncccc1CN1CC[N@H+](C)[C@@H](CC)C1 ZINC000110743085 186318667 /nfs/dbraw/zinc/31/86/67/186318667.db2.gz IBPOXSRMFCYFAJ-AWEZNQCLSA-N 1 0 262.401 2.039 10 0 CEAERO CC[C@@H]1CN(C(=O)c2c[nH]c3ccccc23)CC[N@@H+]1C ZINC000110767504 186323226 /nfs/dbraw/zinc/32/32/26/186323226.db2.gz ZEUITTJTRCMBPJ-GFCCVEGCSA-N 1 0 271.364 2.334 10 0 CEAERO Cc1nc(C[NH3+])sc1-c1nnc(C)n1-c1ccccc1 ZINC000110791193 186323983 /nfs/dbraw/zinc/32/39/83/186323983.db2.gz HHQNIIZAIXRNJJ-UHFFFAOYSA-N 1 0 285.376 2.466 10 0 CEAERO Cc1nc(C[NH3+])sc1C(=O)OC1CCCCC1 ZINC000110789428 186324710 /nfs/dbraw/zinc/32/47/10/186324710.db2.gz MEENWBNWULGEMK-UHFFFAOYSA-N 1 0 254.355 2.400 10 0 CEAERO CCOc1cc(N[C@H](C)CC[NH+](C)C)ccc1N ZINC000111052939 186348631 /nfs/dbraw/zinc/34/86/31/186348631.db2.gz LWDBDRPKJACMIH-LLVKDONJSA-N 1 0 251.374 2.420 10 0 CEAERO O[C@@H]1C[NH2+]C[C@H]1Oc1ccc(Cl)c2ccccc12 ZINC000111060073 186349024 /nfs/dbraw/zinc/34/90/24/186349024.db2.gz FJCOIVBXUNEJJY-TZMCWYRMSA-N 1 0 263.724 2.205 10 0 CEAERO CCOc1cc(N2CC[C@@H]([NH+]3CCCC3)C2)ccc1N ZINC000111056216 186349356 /nfs/dbraw/zinc/34/93/56/186349356.db2.gz CJDHXLVMJSUOJF-CQSZACIVSA-N 1 0 275.396 2.342 10 0 CEAERO CC[C@H]([NH3+])[C@H](Oc1ccccc1CO)C(F)(F)F ZINC000110993324 186341609 /nfs/dbraw/zinc/34/16/09/186341609.db2.gz CXTLHCRKDTYHQJ-ONGXEEELSA-N 1 0 263.259 2.226 10 0 CEAERO CC(C)[C@@H](C[NH2+]C(C)(C)C)SCCS(C)(=O)=O ZINC000111007412 186342015 /nfs/dbraw/zinc/34/20/15/186342015.db2.gz ZEQGVCJTAKVIPD-LLVKDONJSA-N 1 0 281.487 2.177 10 0 CEAERO CC[NH+](CC)[C@@H]1CCN(c2ccc(F)cc2C(N)=S)C1 ZINC000111032868 186346606 /nfs/dbraw/zinc/34/66/06/186346606.db2.gz OFJFVGHEXKFUQA-GFCCVEGCSA-N 1 0 295.427 2.380 10 0 CEAERO CCO[C@@H]1CCCN([C@@H](C[NH3+])c2cccc(F)c2F)C1 ZINC000111039692 186346767 /nfs/dbraw/zinc/34/67/67/186346767.db2.gz WWQCLPVJCWFXQU-RISCZKNCSA-N 1 0 284.350 2.466 10 0 CEAERO NC(=[NH2+])c1cc(F)ccc1Oc1ccccc1CO ZINC000111035493 186347006 /nfs/dbraw/zinc/34/70/06/186347006.db2.gz GIOOMFPVMLMRRI-UHFFFAOYSA-N 1 0 260.268 2.394 10 0 CEAERO C[C@H]1CN(c2ccc(F)cc2C(N)=[NH2+])CC(C)(C)O1 ZINC000111034459 186347084 /nfs/dbraw/zinc/34/70/84/186347084.db2.gz SRCAKWMYULXYKJ-VIFPVBQESA-N 1 0 265.332 2.113 10 0 CEAERO CN(C[C@H]1CCCCO1)[C@@H](C[NH3+])c1cccc(F)c1F ZINC000111039524 186347239 /nfs/dbraw/zinc/34/72/39/186347239.db2.gz IWTGGSHXSQZHHJ-RISCZKNCSA-N 1 0 284.350 2.466 10 0 CEAERO CNc1ccc(Cl)cc1C(=O)N(C)CCC[NH+](C)C ZINC000111151804 186360555 /nfs/dbraw/zinc/36/05/55/186360555.db2.gz JABNYLVCCZZOCV-UHFFFAOYSA-N 1 0 283.803 2.405 10 0 CEAERO Cc1ccc([C@H]([C@@H](C)[NH3+])N(C)C[C@@H]2CCCOC2)o1 ZINC000111154781 186360657 /nfs/dbraw/zinc/36/06/57/186360657.db2.gz PSLPJXQZLMPQHU-IPYPFGDCSA-N 1 0 266.385 2.335 10 0 CEAERO CCCNc1ccc(Cl)c(C(=O)N(C)CC[NH+](C)C)n1 ZINC000111151689 186360698 /nfs/dbraw/zinc/36/06/98/186360698.db2.gz SHHUWXONLMVWQY-UHFFFAOYSA-N 1 0 298.818 2.191 10 0 CEAERO C[C@H]1CCCC[C@]1(CN)[N@H+](C)CC1CCOCC1 ZINC000111159385 186362973 /nfs/dbraw/zinc/36/29/73/186362973.db2.gz IEUFLDUNVXONKL-DZGCQCFKSA-N 1 0 254.418 2.252 10 0 CEAERO COc1ccc([C@H](CN)[N@H+](C)CC2CCOCC2)cc1C ZINC000111159865 186363133 /nfs/dbraw/zinc/36/31/33/186363133.db2.gz JBBZVDKEHYMORO-INIZCTEOSA-N 1 0 292.423 2.362 10 0 CEAERO Cc1cccc(N(CCC[NH3+])S(=O)(=O)C(C)(C)C)c1 ZINC000111071231 186350536 /nfs/dbraw/zinc/35/05/36/186350536.db2.gz AZYUZVMBEOZNKX-UHFFFAOYSA-N 1 0 284.425 2.279 10 0 CEAERO C[C@@H]([NH3+])c1ccccc1NS(=O)(=O)C(C)(C)C ZINC000111072194 186351094 /nfs/dbraw/zinc/35/10/94/186351094.db2.gz HUPMERGHJYBKAR-SECBINFHSA-N 1 0 256.371 2.247 10 0 CEAERO CCC1(C(=O)NC[C@@H]2C[C@H]3CC[C@@H]2C3)CC[NH2+]CC1 ZINC000111086310 186351767 /nfs/dbraw/zinc/35/17/67/186351767.db2.gz LWYZQQHUHDTBJU-MJBXVCDLSA-N 1 0 264.413 2.319 10 0 CEAERO CCC(C)(C)NC(=O)C[NH2+]C[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000111089604 186352168 /nfs/dbraw/zinc/35/21/68/186352168.db2.gz NZBMPLWIXGOALX-XQQFMLRXSA-N 1 0 252.402 2.317 10 0 CEAERO CCCOCCO[C@H](C[NH2+]C)c1cccc(OC)c1 ZINC000111107073 186352592 /nfs/dbraw/zinc/35/25/92/186352592.db2.gz OHACIDRMYWDOAI-OAHLLOKOSA-N 1 0 267.369 2.399 10 0 CEAERO CCCOCCOc1c(C[NH3+])cnc2ccccc21 ZINC000111105246 186353126 /nfs/dbraw/zinc/35/31/26/186353126.db2.gz KJONFBCRJGQAEE-UHFFFAOYSA-N 1 0 260.337 2.499 10 0 CEAERO CCOCCN(CC)[C@@H](c1ccco1)[C@@H]([NH3+])CC ZINC000111116636 186353508 /nfs/dbraw/zinc/35/35/08/186353508.db2.gz OFZWXOBLUSXXIC-GXTWGEPZSA-N 1 0 254.374 2.416 10 0 CEAERO CCOCCN(CC)[C@]1(C[NH3+])CCc2ccccc2C1 ZINC000111117637 186354481 /nfs/dbraw/zinc/35/44/81/186354481.db2.gz JIRIXRVSECDTAM-QGZVFWFLSA-N 1 0 276.424 2.231 10 0 CEAERO CC[NH2+]Cc1sc(N(CC)CCOCC)nc1C ZINC000111124663 186354733 /nfs/dbraw/zinc/35/47/33/186354733.db2.gz MEYLEMXTZUSGNJ-UHFFFAOYSA-N 1 0 271.430 2.424 10 0 CEAERO CN(CCC[NH+](C)C)c1ccc(N)c(OC(C)(C)C)n1 ZINC000111132300 186356621 /nfs/dbraw/zinc/35/66/21/186356621.db2.gz VEVXZYPGURPIPR-UHFFFAOYSA-N 1 0 280.416 2.229 10 0 CEAERO CCC[C@@H]1CCC(=O)[C@@H](C[N@H+](C)CCN(C)C)C1 ZINC000111146385 186358400 /nfs/dbraw/zinc/35/84/00/186358400.db2.gz SSXNXIUQULEBSG-ZIAGYGMSSA-N 1 0 254.418 2.265 10 0 CEAERO CCc1ccc([C@@H](O)[C@@H](C)N(C)CC[NH+](C)C)cc1 ZINC000111142668 186358726 /nfs/dbraw/zinc/35/87/26/186358726.db2.gz HBHJIXUJYNVKNJ-CJNGLKHVSA-N 1 0 264.413 2.164 10 0 CEAERO CN(CC[NH+](C)C)C[C@H](O)c1cccc2ccccc21 ZINC000111143250 186358939 /nfs/dbraw/zinc/35/89/39/186358939.db2.gz APNWAEVNZJDJAJ-KRWDZBQOSA-N 1 0 272.392 2.367 10 0 CEAERO CN(C)CC[N@H+](C)C[C@@H](O)C12CC3CC(CC(C3)C1)C2 ZINC000111142911 186359423 /nfs/dbraw/zinc/35/94/23/186359423.db2.gz RVFBGIHBVKUWCI-YYUOFMGYSA-N 1 0 280.456 2.057 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccccn1)N(C)C[C@@H]1CCCOC1 ZINC000111154178 186359991 /nfs/dbraw/zinc/35/99/91/186359991.db2.gz BWFAMOVHZPDHSH-OFQRWUPVSA-N 1 0 277.412 2.218 10 0 CEAERO O[C@H](C[NH2+]CC1CCOCC1)c1ccc(F)c(F)c1 ZINC000111163343 186364317 /nfs/dbraw/zinc/36/43/17/186364317.db2.gz TZVFBUSLGMYYJN-CQSZACIVSA-N 1 0 271.307 2.014 10 0 CEAERO CCC[C@]1(C(=O)N(C)CC2CCOCC2)CCC[NH2+]C1 ZINC000111174116 186365014 /nfs/dbraw/zinc/36/50/14/186365014.db2.gz LIGZAFBBTWGJLK-INIZCTEOSA-N 1 0 282.428 2.041 10 0 CEAERO CC[NH2+][C@H](Cc1ncc[nH]1)[C@H]1CCOc2ccccc21 ZINC000111185793 186366507 /nfs/dbraw/zinc/36/65/07/186366507.db2.gz ICQLURAGXNYEKM-GXTWGEPZSA-N 1 0 271.364 2.497 10 0 CEAERO [NH3+][C@H]1CCCCC[C@H]1NC(=O)[C@@H]1CCOc2ccccc21 ZINC000111189043 186367385 /nfs/dbraw/zinc/36/73/85/186367385.db2.gz QSYHUXXJXDXDJI-QLFBSQMISA-N 1 0 288.391 2.329 10 0 CEAERO CC(C)CC[NH2+]CCSc1nnc(N(C)C)s1 ZINC000111317225 186395536 /nfs/dbraw/zinc/39/55/36/186395536.db2.gz QIBJXBWHDOOCDX-UHFFFAOYSA-N 1 0 274.459 2.332 10 0 CEAERO CC[C@@H](C)[NH2+]C[C@@H](C)Sc1nnc(N(C)C)s1 ZINC000111317382 186396073 /nfs/dbraw/zinc/39/60/73/186396073.db2.gz CUCNHGPYEUMPCE-RKDXNWHRSA-N 1 0 274.459 2.473 10 0 CEAERO C[NH2+]C[C@]1(CN(C)c2ccc(C)cc2)CCCOC1 ZINC000111327110 186398547 /nfs/dbraw/zinc/39/85/47/186398547.db2.gz KIFXEGFTVZQSPH-INIZCTEOSA-N 1 0 262.397 2.447 10 0 CEAERO C[NH2+]C[C@@]1(CN(CC(F)(F)F)C(C)C)CCCOC1 ZINC000111326192 186398623 /nfs/dbraw/zinc/39/86/23/186398623.db2.gz XPWZSLKLJMKMPA-GFCCVEGCSA-N 1 0 282.350 2.275 10 0 CEAERO C[N@H+](Cc1ccc(F)cc1)C[C@]1(CO)CCCOC1 ZINC000111331607 186399476 /nfs/dbraw/zinc/39/94/76/186399476.db2.gz SVUQEOPCDAHWOY-HNNXBMFYSA-N 1 0 267.344 2.047 10 0 CEAERO CC(C)C[NH+](CC(C)C)C[C@@]1(CO)CCCOC1 ZINC000111331227 186399722 /nfs/dbraw/zinc/39/97/22/186399722.db2.gz XIAONZGQRNDAMV-OAHLLOKOSA-N 1 0 257.418 2.390 10 0 CEAERO Oc1ccc(-c2noc([C@@]3(C(F)(F)F)CC[NH2+]C3)n2)cc1 ZINC000111240757 186374644 /nfs/dbraw/zinc/37/46/44/186374644.db2.gz JOTRFMNQDWHXTR-GFCCVEGCSA-N 1 0 299.252 2.236 10 0 CEAERO CC[C@H](C)N(CC)C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111243582 186375624 /nfs/dbraw/zinc/37/56/24/186375624.db2.gz BLDWJOQBYUBEJP-GXSJLCMTSA-N 1 0 266.307 2.175 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1c1nnc2ccc(C(F)(F)F)cn21 ZINC000111256142 186379088 /nfs/dbraw/zinc/37/90/88/186379088.db2.gz HLWLHASUWKDXRG-APPZFPTMSA-N 1 0 270.258 2.071 10 0 CEAERO Cc1ccc(Cc2noc([C@@H]3C[NH2+]C[C@H]3C)n2)cc1 ZINC000111256638 186379908 /nfs/dbraw/zinc/37/99/08/186379908.db2.gz SKYPPLYBCZSQJL-DGCLKSJQSA-N 1 0 257.337 2.292 10 0 CEAERO CCOc1cccc(-c2noc([C@@H]3C[NH2+]C[C@H]3C)n2)c1 ZINC000111256403 186380001 /nfs/dbraw/zinc/38/00/01/186380001.db2.gz DWQCVTFOPGEXGI-ZWNOBZJWSA-N 1 0 273.336 2.458 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc2c1CCCC2 ZINC000111262954 186380857 /nfs/dbraw/zinc/38/08/57/186380857.db2.gz VGDRVEOSPXPWNR-SMDDNHRTSA-N 1 0 258.365 2.359 10 0 CEAERO Cc1nc(-c2ccc(NC(=O)[C@@H]3C[NH2+]C[C@@H]3C)cc2)co1 ZINC000111265768 186381399 /nfs/dbraw/zinc/38/13/99/186381399.db2.gz ONSCVXHDFXDTSI-IINYFYTJSA-N 1 0 285.347 2.444 10 0 CEAERO CC(C)[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@@H]1C)c1ccc(F)cc1 ZINC000111265246 186381878 /nfs/dbraw/zinc/38/18/78/186381878.db2.gz ZLXVMFILYFAOBO-NILFDRSVSA-N 1 0 278.371 2.495 10 0 CEAERO CCOC(=O)Nc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000111265755 186381936 /nfs/dbraw/zinc/38/19/36/186381936.db2.gz YKOYUGOUHULCSP-ZWNOBZJWSA-N 1 0 291.351 2.049 10 0 CEAERO CC(C)C(=O)Nc1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2C)cc1 ZINC000111265124 186381945 /nfs/dbraw/zinc/38/19/45/186381945.db2.gz QBIGGMLCQDZBQI-FZMZJTMJSA-N 1 0 289.379 2.075 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(Cl)cc1F ZINC000111266001 186382472 /nfs/dbraw/zinc/38/24/72/186382472.db2.gz DYWDLTWYSOEDSP-CBAPKCEASA-N 1 0 256.708 2.273 10 0 CEAERO CCN(Cc1cccc(C)c1)C(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000111268776 186384329 /nfs/dbraw/zinc/38/43/29/186384329.db2.gz TYWGXHYMYBSGQW-ZFWWWQNUSA-N 1 0 260.381 2.199 10 0 CEAERO CCOC(=O)c1cc(C)sc1NC(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000111272985 186385527 /nfs/dbraw/zinc/38/55/27/186385527.db2.gz LZLXRQPHGUXDEL-KCJUWKMLSA-N 1 0 296.392 2.027 10 0 CEAERO Cc1nn(C)c(N(C)Cc2cccc(C)c2)c1CC[NH3+] ZINC000111486524 186422679 /nfs/dbraw/zinc/42/26/79/186422679.db2.gz ITZHMDYTXGXBEZ-UHFFFAOYSA-N 1 0 272.396 2.175 10 0 CEAERO CCOCCN(CC)c1ccc(CC[NH3+])cc1C ZINC000111481292 186422753 /nfs/dbraw/zinc/42/27/53/186422753.db2.gz UVSJYZTTYGZGBA-UHFFFAOYSA-N 1 0 250.386 2.359 10 0 CEAERO CCN(CCOC)c1ccc(C[C@H](C)[NH3+])c(C)c1 ZINC000111505782 186425041 /nfs/dbraw/zinc/42/50/41/186425041.db2.gz DVSSXAFIHMKIKS-ZDUSSCGKSA-N 1 0 250.386 2.357 10 0 CEAERO Cc1nn(-c2nc3sccn3c2C[C@H](C)[NH3+])c(C)c1C ZINC000111514358 186426129 /nfs/dbraw/zinc/42/61/29/186426129.db2.gz OGVIMSLWOVTOMG-QMMMGPOBSA-N 1 0 289.408 2.396 10 0 CEAERO CCC[NH2+]C[C@H]1CCCCN1Cc1ncc(Cl)n1C ZINC000111702257 186446900 /nfs/dbraw/zinc/44/69/00/186446900.db2.gz MVURMBMYXZEZMC-GFCCVEGCSA-N 1 0 284.835 2.428 10 0 CEAERO Cn1c(Cl)cnc1CN1CCCC[C@@H]1C[NH2+]C1CC1 ZINC000111703552 186448256 /nfs/dbraw/zinc/44/82/56/186448256.db2.gz QYMNMNZRBULUAR-GFCCVEGCSA-N 1 0 282.819 2.180 10 0 CEAERO CCC[NH2+][C@H](C)[C@@H]1CCCCN1CC(=O)N(CC)C1CC1 ZINC000111712176 186448884 /nfs/dbraw/zinc/44/88/84/186448884.db2.gz LNBTWIUQXDNUHJ-ZBFHGGJFSA-N 1 0 295.471 2.240 10 0 CEAERO CC[NH2+][C@H](C)[C@@H]1CCCCN1CC(=O)NC(C)(C)CC ZINC000111711365 186449394 /nfs/dbraw/zinc/44/93/94/186449394.db2.gz PIIBBYFEAPXTAK-KGLIPLIRSA-N 1 0 283.460 2.144 10 0 CEAERO Cc1ccc(NC(=O)CCOC2CC[NH2+]CC2)c(C)c1O ZINC000111800468 186458734 /nfs/dbraw/zinc/45/87/34/186458734.db2.gz GJGVLRFLAIKZCT-UHFFFAOYSA-N 1 0 292.379 2.106 10 0 CEAERO O=C(CCOC1CC[NH2+]CC1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000111800202 186459547 /nfs/dbraw/zinc/45/95/47/186459547.db2.gz APHLHUAYHCSGRP-GOEBONIOSA-N 1 0 294.439 2.326 10 0 CEAERO CN(C)c1ccc(C(=O)N2CCCC[C@@H]2CC[NH3+])cc1 ZINC000111364043 186405495 /nfs/dbraw/zinc/40/54/95/186405495.db2.gz WWUPDDSRXCCLMV-OAHLLOKOSA-N 1 0 275.396 2.096 10 0 CEAERO C[C@H]1CCC[C@](C[NH3+])(NC(=O)c2ccc3c(c2)OCO3)C1 ZINC000111369998 186407243 /nfs/dbraw/zinc/40/72/43/186407243.db2.gz HXXMKZQYNDASEE-ZBEGNZNMSA-N 1 0 290.363 2.053 10 0 CEAERO COc1ccc(O)c(C(=O)N[C@@]2(C[NH3+])CCC[C@H](C)C2)c1 ZINC000111369876 186407550 /nfs/dbraw/zinc/40/75/50/186407550.db2.gz ZVDKDMRDJCWSQA-ZBEGNZNMSA-N 1 0 292.379 2.038 10 0 CEAERO CCCCN(CC[NH3+])C(=O)Nc1ccc(F)cc1 ZINC000111371277 186408856 /nfs/dbraw/zinc/40/88/56/186408856.db2.gz DHYROQKCDABXKQ-UHFFFAOYSA-N 1 0 253.321 2.418 10 0 CEAERO [NH3+]C[C@H](Cc1ccccc1)NC(=O)NC1CCCCC1 ZINC000111371519 186409098 /nfs/dbraw/zinc/40/90/98/186409098.db2.gz ZCXPGXHSNYHHNG-HNNXBMFYSA-N 1 0 275.396 2.188 10 0 CEAERO CC(C)(C)n1ccnc(Nc2ccc(CC[NH3+])cc2)c1=O ZINC000111375970 186410086 /nfs/dbraw/zinc/41/00/86/186410086.db2.gz VKBFNGSABUZUOC-UHFFFAOYSA-N 1 0 286.379 2.243 10 0 CEAERO C[NH2+][C@H](Cn1cnccc1=O)C12CC3CC(CC(C3)C1)C2 ZINC000111401434 186413412 /nfs/dbraw/zinc/41/34/12/186413412.db2.gz PRCSPAXNOPWXDZ-UZZMVUAXSA-N 1 0 287.407 2.048 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CC(=O)N(C2CCCC2)C1=O)C1CCCC1 ZINC000112254729 186477977 /nfs/dbraw/zinc/47/79/77/186477977.db2.gz DDBKLHPLWUMXHL-BXUZGUMPSA-N 1 0 278.396 2.225 10 0 CEAERO C[C@H]([NH3+])[C@@H]1CCCN(c2ncccc2Br)C1 ZINC000069725726 362995033 /nfs/dbraw/zinc/99/50/33/362995033.db2.gz CWPMHGHJNKANHU-VHSXEESVSA-N 1 0 284.201 2.408 10 0 CEAERO O[C@H](c1ccccc1Br)[C@H]1CCC[NH2+]1 ZINC000069843636 363007161 /nfs/dbraw/zinc/00/71/61/363007161.db2.gz XRRRKHHXHDZXAL-GHMZBOCLSA-N 1 0 256.143 2.235 10 0 CEAERO Cc1cc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)cnc1Cl ZINC000119466518 186829499 /nfs/dbraw/zinc/82/94/99/186829499.db2.gz TZJTYRUYPUOCCC-LLVKDONJSA-N 1 0 282.775 2.211 10 0 CEAERO C[C@@H](NC(=O)CC[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000070307696 363069095 /nfs/dbraw/zinc/06/90/95/363069095.db2.gz YAGLMIZEBWNPNO-OLZOCXBDSA-N 1 0 252.402 2.461 10 0 CEAERO CNc1nc(N[C@H](C)C2CC2)ncc1Br ZINC000131227764 366032954 /nfs/dbraw/zinc/03/29/54/366032954.db2.gz VNVFQMIFCOUXLL-ZCFIWIBFSA-N 1 0 271.162 2.491 10 0 CEAERO CO[C@@H]1CN(CCOc2ccccc2Cl)[C@@](C)(C[NH3+])C1 ZINC000630360010 351712457 /nfs/dbraw/zinc/71/24/57/351712457.db2.gz IEACVQDJNQWETG-SWLSCSKDSA-N 1 0 298.814 2.157 10 0 CEAERO CO[C@H]1CN(Cc2ccc(F)cc2Cl)[C@](C)(C[NH3+])C1 ZINC000630363890 351713091 /nfs/dbraw/zinc/71/30/91/351713091.db2.gz SRSPYTKXTDZAMW-OCCSQVGLSA-N 1 0 286.778 2.417 10 0 CEAERO CO[C@H]1CN(Cc2cccc(Cl)c2F)[C@](C)(C[NH3+])C1 ZINC000630370098 351715389 /nfs/dbraw/zinc/71/53/89/351715389.db2.gz YOCSOPBBJLUNNH-RISCZKNCSA-N 1 0 286.778 2.417 10 0 CEAERO C[C@@H]1CC[C@H](Nc2nccc(C(F)(F)F)n2)C[NH2+]1 ZINC000630533587 351775322 /nfs/dbraw/zinc/77/53/22/351775322.db2.gz DUGZYTFPBFGZES-SFYZADRCSA-N 1 0 260.263 2.048 10 0 CEAERO CCOc1cc(N[C@H]2CC[C@H](C[NH3+])CC2)nc(C)n1 ZINC000630558406 351785416 /nfs/dbraw/zinc/78/54/16/351785416.db2.gz LQCPAMVRQZPLCJ-HAQNSBGRSA-N 1 0 264.373 2.113 10 0 CEAERO CCCOc1nccnc1NCCC1CC[NH2+]CC1 ZINC000630517574 351769237 /nfs/dbraw/zinc/76/92/37/351769237.db2.gz SNDSEVIXODYYFS-UHFFFAOYSA-N 1 0 264.373 2.067 10 0 CEAERO [NH3+]C[C@H]1CN(c2ccc(F)cn2)CC[C@@H]1C(F)(F)F ZINC000630527070 351773240 /nfs/dbraw/zinc/77/32/40/351773240.db2.gz GVOMVAOHAAMVQI-WPRPVWTQSA-N 1 0 277.265 2.184 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cc(F)ccc2OC)C1 ZINC000122112665 187016113 /nfs/dbraw/zinc/01/61/13/187016113.db2.gz ZFXQVAURMMOOEP-GFCCVEGCSA-N 1 0 295.358 2.440 10 0 CEAERO CCc1nccn1[C@@H]1CCC[N@@H+](Cc2ccnn2CC)C1 ZINC000122893714 187058111 /nfs/dbraw/zinc/05/81/11/187058111.db2.gz MDJFTCQXEZFKMD-CQSZACIVSA-N 1 0 287.411 2.499 10 0 CEAERO CCC1(CNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC1 ZINC000122901779 187058866 /nfs/dbraw/zinc/05/88/66/187058866.db2.gz KNKNNXPZIBQZMR-STQMWFEESA-N 1 0 267.417 2.205 10 0 CEAERO C[C@@H](NC(=O)C1(C[NH3+])CCCC1)c1cccs1 ZINC000122936553 187061322 /nfs/dbraw/zinc/06/13/22/187061322.db2.gz QZZJQPSCBAOXPD-SNVBAGLBSA-N 1 0 252.383 2.444 10 0 CEAERO Cc1csc([C@@H]2CCC[N@H+](CCC3OCCO3)C2)n1 ZINC000124049231 187120139 /nfs/dbraw/zinc/12/01/39/187120139.db2.gz RCZGDFOWSFIRIE-GFCCVEGCSA-N 1 0 282.409 2.394 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cccc(C)n1 ZINC000124108063 187122506 /nfs/dbraw/zinc/12/25/06/187122506.db2.gz URRJPSVBEVHIJZ-ZDUSSCGKSA-N 1 0 276.384 2.338 10 0 CEAERO CCc1nc(C)c([C@@H](C)[NH2+]C[C@@H](C)N2CCOCC2)s1 ZINC000123237416 187079734 /nfs/dbraw/zinc/07/97/34/187079734.db2.gz ZXFAPJNBLSCAGO-VXGBXAGGSA-N 1 0 297.468 2.385 10 0 CEAERO CC[C@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccccc1 ZINC000123290278 187083388 /nfs/dbraw/zinc/08/33/88/187083388.db2.gz JZMKCLIHSTYDGU-HOCLYGCPSA-N 1 0 262.397 2.448 10 0 CEAERO C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1cccs1 ZINC000123342311 187085871 /nfs/dbraw/zinc/08/58/71/187085871.db2.gz IWJORPQDWSNPGF-NWDGAFQWSA-N 1 0 254.399 2.119 10 0 CEAERO C[C@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1)N1CCOCC1 ZINC000123401782 187089545 /nfs/dbraw/zinc/08/95/45/187089545.db2.gz UGEWEMIKKHLVHQ-VXGBXAGGSA-N 1 0 284.350 2.336 10 0 CEAERO CCCn1cc(CN(C)C[C@H]2CCC[N@@H+]2CC)cn1 ZINC000123408836 187090301 /nfs/dbraw/zinc/09/03/01/187090301.db2.gz RRMJFLMYLVDBKF-OAHLLOKOSA-N 1 0 264.417 2.209 10 0 CEAERO [NH3+]C[C@@H]1CCCN1Cc1ccc(OC(F)F)cc1 ZINC000123465226 187093167 /nfs/dbraw/zinc/09/31/67/187093167.db2.gz HRVWOMQYKVVWRO-NSHDSACASA-N 1 0 256.296 2.211 10 0 CEAERO [NH3+]C[C@@H]1CCCN1CCC(=O)Nc1cccc(Cl)c1 ZINC000123458303 187093422 /nfs/dbraw/zinc/09/34/22/187093422.db2.gz GJGBKTSKAPKFEB-ZDUSSCGKSA-N 1 0 281.787 2.092 10 0 CEAERO COC(=O)c1cccc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)c1C ZINC000070575024 363097284 /nfs/dbraw/zinc/09/72/84/363097284.db2.gz FVYYOERTCMTAGT-NWDGAFQWSA-N 1 0 290.363 2.238 10 0 CEAERO Cc1nc2cc(NC(=O)[C@@H]3CCC[C@H]([NH3+])C3)ccc2[nH]1 ZINC000070575341 363097327 /nfs/dbraw/zinc/09/73/27/363097327.db2.gz CMAVAARWBQQCJN-MNOVXSKESA-N 1 0 272.352 2.327 10 0 CEAERO [NH3+][C@H]1CCC[C@H](C(=O)Nc2nc3c(s2)CCC3)C1 ZINC000070577856 363099440 /nfs/dbraw/zinc/09/94/40/363099440.db2.gz ORUYDTFCJQBHMX-IUCAKERBSA-N 1 0 265.382 2.088 10 0 CEAERO CN(C(=O)[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)cc1 ZINC000070578008 363099590 /nfs/dbraw/zinc/09/95/90/363099590.db2.gz GETRRKWJTHKMJY-CMPLNLGQSA-N 1 0 250.317 2.306 10 0 CEAERO [NH3+]Cc1c[nH]c(-c2ccc(Br)s2)n1 ZINC000070598076 363100399 /nfs/dbraw/zinc/10/03/99/363100399.db2.gz FKQFPXIFVFPAON-UHFFFAOYSA-N 1 0 258.144 2.359 10 0 CEAERO [NH3+]Cc1cnc(-c2ccc(Br)s2)nc1 ZINC000070598041 363100677 /nfs/dbraw/zinc/10/06/77/363100677.db2.gz KBBAMMDHFNMHPH-UHFFFAOYSA-N 1 0 270.155 2.426 10 0 CEAERO CN(CCc1cccs1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000093289819 539846827 /nfs/dbraw/zinc/84/68/27/539846827.db2.gz AOKVIODVGCLHOC-YPMHNXCESA-N 1 0 266.410 2.124 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@H]2CCCC[NH2+]2)cc1F ZINC000094956566 539888466 /nfs/dbraw/zinc/88/84/66/539888466.db2.gz KBSONPLWBFACHM-SMDDNHRTSA-N 1 0 264.344 2.453 10 0 CEAERO C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000251067286 539971971 /nfs/dbraw/zinc/97/19/71/539971971.db2.gz DOWMUVAPCBWJTN-YIYPIFLZSA-N 1 0 250.386 2.023 10 0 CEAERO CCc1ccc(CCNC(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000154104064 188123911 /nfs/dbraw/zinc/12/39/11/188123911.db2.gz JEGXFWXBXHMREW-HOTGVXAUSA-N 1 0 274.408 2.425 10 0 CEAERO CC[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(F)cc1 ZINC000154939083 188172296 /nfs/dbraw/zinc/17/22/96/188172296.db2.gz YEEXEPKJSJMXSZ-KBPBESRZSA-N 1 0 274.343 2.473 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)Cc2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000155289025 188196532 /nfs/dbraw/zinc/19/65/32/188196532.db2.gz AXMCMRAUSPZRSH-NHYWBVRUSA-N 1 0 296.361 2.352 10 0 CEAERO COc1ccc(CC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000155554121 188213933 /nfs/dbraw/zinc/21/39/33/188213933.db2.gz GQYVRWHCIDXQIQ-CJNGLKHVSA-N 1 0 290.407 2.083 10 0 CEAERO CC[C@@H]1CN(c2ccccc2S(=O)(=O)CC)CC[C@H]1[NH3+] ZINC000251889561 539993947 /nfs/dbraw/zinc/99/39/47/539993947.db2.gz VXBZJXOMJXUHAG-CHWSQXEVSA-N 1 0 296.436 2.044 10 0 CEAERO O[C@@H]1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1CCOCC1CC1 ZINC000337278006 366121572 /nfs/dbraw/zinc/12/15/72/366121572.db2.gz FXWNRIUAHVGPAY-OWCLPIDISA-N 1 0 267.413 2.429 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H](C)c2cccnc2)C1 ZINC000162600931 188580381 /nfs/dbraw/zinc/58/03/81/188580381.db2.gz NFBMKBLHNIBDGA-IPYPFGDCSA-N 1 0 290.411 2.171 10 0 CEAERO C[C@@H]1CN(Cc2cncc(Br)c2)C[C@@H]1[NH+](C)C ZINC000163666877 188613573 /nfs/dbraw/zinc/61/35/73/188613573.db2.gz RRCLVGCPYQXULN-MFKMUULPSA-N 1 0 298.228 2.226 10 0 CEAERO Cc1ccc2cccc(C(=O)N3CC[C@@H]([NH+](C)C)C3)c2n1 ZINC000132779964 366170983 /nfs/dbraw/zinc/17/09/83/366170983.db2.gz WBWTXYYNEDHKPI-CQSZACIVSA-N 1 0 283.375 2.319 10 0 CEAERO [NH3+]C[C@]12C[C@H](CN1C(=O)NC1CCCCC1)CCC2 ZINC000675051182 540064282 /nfs/dbraw/zinc/06/42/82/540064282.db2.gz CJZWVYBXEQRZAM-DOMZBBRYSA-N 1 0 265.401 2.232 10 0 CEAERO [NH3+][C@@H]1C[C@@H](C(F)(F)F)S(=O)(=O)c2cc(Cl)ccc21 ZINC000675060136 540080033 /nfs/dbraw/zinc/08/00/33/540080033.db2.gz SIVLJHBXXYVLTJ-APPZFPTMSA-N 1 0 299.701 2.448 10 0 CEAERO Cc1cncc(C2=C[C@@H]([NH3+])CN(C(=O)OC(C)(C)C)C2)c1 ZINC000675079108 540119564 /nfs/dbraw/zinc/11/95/64/540119564.db2.gz WJWLDARFGZTGMF-CQSZACIVSA-N 1 0 289.379 2.351 10 0 CEAERO Brc1cccc(-c2cnn3c2C[NH2+]CC3)c1 ZINC000675080824 540120591 /nfs/dbraw/zinc/12/05/91/540120591.db2.gz WJVXQAOJTOETCI-UHFFFAOYSA-N 1 0 278.153 2.416 10 0 CEAERO CC(C)[C@H]([NH2+]Cc1cccc2ccccc21)C(N)=O ZINC000223766242 540161548 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O=[S@](Cc1cnc(Cl)s1)C[C@H]1CCCC[NH2+]1 ZINC000095070266 364330033 /nfs/dbraw/zinc/33/00/33/364330033.db2.gz QRTJYTJFPSAUQX-VPTHRUTESA-N 1 0 278.830 2.187 10 0 CEAERO O=[S@](C[C@@H]1CCC[NH2+]1)c1nc2ccccc2nc1Cl ZINC000095069776 364330242 /nfs/dbraw/zinc/33/02/42/364330242.db2.gz LHVWXDWJFLLSTO-UGZDLDLSSA-N 1 0 295.795 2.143 10 0 CEAERO CN(C[C@H]1CCC[NH2+]C1)c1ccc(Br)cn1 ZINC000095071065 364330802 /nfs/dbraw/zinc/33/08/02/364330802.db2.gz BSUNBPKOJUFAJW-JTQLQIEISA-N 1 0 284.201 2.280 10 0 CEAERO CN(Cc1ccnc(Br)c1)C[C@@H]1CCC[NH2+]C1 ZINC000095071152 364330891 /nfs/dbraw/zinc/33/08/91/364330891.db2.gz IMPZBJNGHMLPOE-GFCCVEGCSA-N 1 0 298.228 2.276 10 0 CEAERO CSc1nccc(SC[C@H]2CCCC[NH2+]2)n1 ZINC000095071813 364332299 /nfs/dbraw/zinc/33/22/99/364332299.db2.gz BJWZKIPARQHASV-SECBINFHSA-N 1 0 255.412 2.433 10 0 CEAERO COC[C@H](C)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000097038824 364428787 /nfs/dbraw/zinc/42/87/87/364428787.db2.gz BGVAYGNXKVMZSQ-LBPRGKRZSA-N 1 0 279.384 2.001 10 0 CEAERO CCCC(=O)N[C@H]1CCC[N@H+](CCc2ccncc2)C1 ZINC000101565503 364561787 /nfs/dbraw/zinc/56/17/87/364561787.db2.gz RYFCIQCYHOHFOT-HNNXBMFYSA-N 1 0 275.396 2.005 10 0 CEAERO COC[C@@H](C)C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000103434193 364653445 /nfs/dbraw/zinc/65/34/45/364653445.db2.gz SDCZMQXTYAFYNA-TZMCWYRMSA-N 1 0 294.395 2.124 10 0 CEAERO CC(C)OCCC[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105909591 364703278 /nfs/dbraw/zinc/70/32/78/364703278.db2.gz HLNYDLDEHTUXMG-OAHLLOKOSA-N 1 0 292.427 2.192 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CCn1cccn1 ZINC000105896052 364703299 /nfs/dbraw/zinc/70/32/99/364703299.db2.gz WDAGZKSNJIFYHM-AWEZNQCLSA-N 1 0 273.384 2.071 10 0 CEAERO C[C@@H]([NH3+])[C@H]1CCCN(c2ncnc3ccccc32)C1 ZINC000111716006 364756059 /nfs/dbraw/zinc/75/60/59/364756059.db2.gz HUNSEBSGYAIGCL-NEPJUHHUSA-N 1 0 256.353 2.193 10 0 CEAERO CC[C@@H](C)CN(C)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000111836880 364764420 /nfs/dbraw/zinc/76/44/20/364764420.db2.gz YVYRILBVVCLCSV-OLZOCXBDSA-N 1 0 255.406 2.158 10 0 CEAERO CC[C@@H](OC1CCCC1)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000112905171 364855207 /nfs/dbraw/zinc/85/52/07/364855207.db2.gz VGKNAFWQTHHJLC-UKRRQHHQSA-N 1 0 282.428 2.325 10 0 CEAERO Cc1ccccc1C1(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000193534067 189644777 /nfs/dbraw/zinc/64/47/77/189644777.db2.gz YVTRLJNOCFEFQQ-HIFRSBDPSA-N 1 0 272.392 2.283 10 0 CEAERO C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H]2c2ccco2)C1 ZINC000116548672 365062112 /nfs/dbraw/zinc/06/21/12/365062112.db2.gz VHPIBLMGZOUKTB-ZIAGYGMSSA-N 1 0 291.395 2.468 10 0 CEAERO C[NH+](C)C[C@@H](NC(=O)CC1CCOCC1)c1ccccc1 ZINC000117125901 365092506 /nfs/dbraw/zinc/09/25/06/365092506.db2.gz ZXDCRAQQKVXDTR-MRXNPFEDSA-N 1 0 290.407 2.222 10 0 CEAERO CC[C@H]1CN(C(=O)NCCCC(C)C)CC[N@@H+]1CCOC ZINC000117477482 365109829 /nfs/dbraw/zinc/10/98/29/365109829.db2.gz FJSKQACQRJFKNV-HNNXBMFYSA-N 1 0 299.459 2.175 10 0 CEAERO CCc1csc([C@@H]2CCC[N@@H+]([C@H](CC)C(N)=O)C2)n1 ZINC000245383922 370810265 /nfs/dbraw/zinc/81/02/65/370810265.db2.gz SKVOBONVRDEUSP-ZYHUDNBSSA-N 1 0 281.425 2.149 10 0 CEAERO CCc1noc([C@@H](C)N2CC[NH+](C[C@H](C)CC)CC2)n1 ZINC000120502451 365434165 /nfs/dbraw/zinc/43/41/65/365434165.db2.gz ZQQOEYVYFMTHSR-CHWSQXEVSA-N 1 0 280.416 2.357 10 0 CEAERO CC[C@@H]1CN(Cc2cc(F)cc(F)c2)CC[N@@H+]1C[C@@H](C)O ZINC000120681178 365460540 /nfs/dbraw/zinc/46/05/40/365460540.db2.gz LQDBOZKDTLVATF-MLGOLLRUSA-N 1 0 298.377 2.242 10 0 CEAERO COCC[N@@H+]1CCN(Cc2c(F)cccc2F)C[C@H]1C ZINC000120852429 365485604 /nfs/dbraw/zinc/48/56/04/365485604.db2.gz JQEBQCYUMYGDTB-GFCCVEGCSA-N 1 0 284.350 2.117 10 0 CEAERO COCCN1CC[N@H+](Cc2cccc3[nH]ccc32)C[C@@H]1C ZINC000120854348 365486260 /nfs/dbraw/zinc/48/62/60/365486260.db2.gz DRYFJDLEFBIBFP-AWEZNQCLSA-N 1 0 287.407 2.320 10 0 CEAERO Brc1cnccc1NC1CC[NH2+]CC1 ZINC000159887612 366956964 /nfs/dbraw/zinc/95/69/64/366956964.db2.gz PVWRIXBCJYDEGT-UHFFFAOYSA-N 1 0 256.147 2.008 10 0 CEAERO FC(F)(F)c1nnc(NC[C@@H]2CCCC[NH2+]2)s1 ZINC000160361976 366999982 /nfs/dbraw/zinc/99/99/82/366999982.db2.gz NFVLAYYYUTVAFH-LURJTMIESA-N 1 0 266.292 2.111 10 0 CEAERO Nc1ccc(N[C@@H]2CCC[N@H+](CC3CC3)CC2)cn1 ZINC000583623199 367072847 /nfs/dbraw/zinc/07/28/47/367072847.db2.gz UAYJYYIAGNCZMV-CYBMUJFWSA-N 1 0 260.385 2.171 10 0 CEAERO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CCn1ccnc1 ZINC000162210328 367144869 /nfs/dbraw/zinc/14/48/69/367144869.db2.gz PGWNNQULVLVGTC-AWEZNQCLSA-N 1 0 296.378 2.157 10 0 CEAERO CCC[C@@H](C(=O)NCc1cccc(COC)c1)[NH+](C)C ZINC000161599675 367099567 /nfs/dbraw/zinc/09/95/67/367099567.db2.gz FSEGEWMHNWXICZ-HNNXBMFYSA-N 1 0 278.396 2.180 10 0 CEAERO C[C@H]1CN(C(=O)c2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000638886355 370820366 /nfs/dbraw/zinc/82/03/66/370820366.db2.gz QPXFNFUGVSNNFN-GXSJLCMTSA-N 1 0 297.196 2.116 10 0 CEAERO Cc1ccc(Cl)c(OCC(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000638886313 370820787 /nfs/dbraw/zinc/82/07/87/370820787.db2.gz QDKDWFMWFBKIKA-NEPJUHHUSA-N 1 0 296.798 2.080 10 0 CEAERO C[C@@H]1CN(C(=O)CSc2ccccc2Cl)C[C@@H]1C[NH3+] ZINC000638891264 370823812 /nfs/dbraw/zinc/82/38/12/370823812.db2.gz ZLZPIBGKVRQKBG-MNOVXSKESA-N 1 0 298.839 2.485 10 0 CEAERO Cc1cc(Cl)ccc1C(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638891424 370825250 /nfs/dbraw/zinc/82/52/50/370825250.db2.gz HGAAUJSGWQEMKY-QWRGUYRKSA-N 1 0 266.772 2.315 10 0 CEAERO [NH3+][C@@H](CCNC(=O)CC(F)(F)F)Cc1ccccc1 ZINC000638905669 370832576 /nfs/dbraw/zinc/83/25/76/370832576.db2.gz UFGCVSPCWJNGPJ-NSHDSACASA-N 1 0 274.286 2.015 10 0 CEAERO C[C@@H](O)[C@@H]1CC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000162784466 367191104 /nfs/dbraw/zinc/19/11/04/367191104.db2.gz QQVVPFNQXDIGMJ-TZMCWYRMSA-N 1 0 256.349 2.438 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@H]1CC=CCC1 ZINC000245682703 370856762 /nfs/dbraw/zinc/85/67/62/370856762.db2.gz GQKBOIXLJHFNDJ-ZNMIVQPWSA-N 1 0 277.412 2.363 10 0 CEAERO O[C@@]12CCCC[C@@H]1C[N@H+](CCc1cccnc1)CC2 ZINC000168687034 367356413 /nfs/dbraw/zinc/35/64/13/367356413.db2.gz GKOBULUQJSWNIZ-HZPDHXFCSA-N 1 0 260.381 2.251 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2CCc3cc(F)ccc32)C1 ZINC000170833835 367428127 /nfs/dbraw/zinc/42/81/27/367428127.db2.gz IEFJSMGCZSDLRB-HIFRSBDPSA-N 1 0 291.370 2.159 10 0 CEAERO CC(C)[N@H+](C)CCNC(=O)N[C@H](C)c1cccs1 ZINC000171154648 367488470 /nfs/dbraw/zinc/48/84/70/367488470.db2.gz KLZOMNVLNNITEL-LLVKDONJSA-N 1 0 269.414 2.449 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)Cc2ccccc2Cl)C1 ZINC000170861528 367434551 /nfs/dbraw/zinc/43/45/51/367434551.db2.gz BMRCQNREXSNYCD-GFCCVEGCSA-N 1 0 266.772 2.045 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2nc(C3CC3)cs2)C1 ZINC000170874692 367437614 /nfs/dbraw/zinc/43/76/14/367437614.db2.gz HUAQSNIHNOXDSY-JTQLQIEISA-N 1 0 280.397 2.188 10 0 CEAERO CSc1ccsc1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000170948927 367451646 /nfs/dbraw/zinc/45/16/46/367451646.db2.gz KEQLKTFDMVQYGX-SNVBAGLBSA-N 1 0 282.434 2.390 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccc3[nH]ccc3c2)C1 ZINC000171385261 367532036 /nfs/dbraw/zinc/53/20/36/367532036.db2.gz CFRASJXKJRVKFL-ZDUSSCGKSA-N 1 0 272.352 2.336 10 0 CEAERO C[C@@H]1CN(Cc2csc(C(C)(C)C)n2)C[C@@H]1C[NH3+] ZINC000631840049 367581907 /nfs/dbraw/zinc/58/19/07/367581907.db2.gz OVVDFFIBVJRIDU-MNOVXSKESA-N 1 0 267.442 2.467 10 0 CEAERO Cc1ccccc1NC(=O)[C@H](C)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171640630 367583985 /nfs/dbraw/zinc/58/39/85/367583985.db2.gz RENFSWSXVOEWIU-LSDHHAIUSA-N 1 0 287.407 2.102 10 0 CEAERO c1ccc(-c2nnc(CN3CC[N@@H+]4CCC[C@@H]4C3)o2)cc1 ZINC000171639541 367584477 /nfs/dbraw/zinc/58/44/77/367584477.db2.gz PCIRUGFLBOMXSV-CQSZACIVSA-N 1 0 284.363 2.017 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1cc(C(N)=O)ccc1F ZINC000335536849 212233335 /nfs/dbraw/zinc/23/33/35/212233335.db2.gz VAEBERCYDLTIKU-WCBMZHEXSA-N 1 0 279.315 2.036 10 0 CEAERO CCc1ccc(O)c(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000335533824 212229949 /nfs/dbraw/zinc/22/99/49/212229949.db2.gz IKVXGQICXURBPW-CMPLNLGQSA-N 1 0 262.353 2.281 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)/C=C/c2cnc(C)s2)C1 ZINC000171804583 367617885 /nfs/dbraw/zinc/61/78/85/367617885.db2.gz VAZPZDLUZQMTQG-NNNHXZLVSA-N 1 0 279.409 2.065 10 0 CEAERO Cn1cc([C@H]2CCC[N@@H+]2C[C@@H](O)Cc2ccccc2)cn1 ZINC000245877484 370882699 /nfs/dbraw/zinc/88/26/99/370882699.db2.gz ZCNLPTGCWNZWPX-DLBZAZTESA-N 1 0 285.391 2.161 10 0 CEAERO CCc1ccc(CN2CC[N@H+](C[C@@H](C)O)[C@@H](CC)C2)o1 ZINC000245783939 370872944 /nfs/dbraw/zinc/87/29/44/370872944.db2.gz UWVDNLCLKBILAT-KGLIPLIRSA-N 1 0 280.412 2.119 10 0 CEAERO C[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000173127358 367871170 /nfs/dbraw/zinc/87/11/70/367871170.db2.gz VVBMNAFNDORATA-HIFRSBDPSA-N 1 0 260.381 2.170 10 0 CEAERO FC(F)(F)COCCCN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000172804207 367821337 /nfs/dbraw/zinc/82/13/37/367821337.db2.gz NWIGEGQPBSCQSP-LBPRGKRZSA-N 1 0 280.334 2.126 10 0 CEAERO C[C@H](C[NH2+][C@@H](C)c1ccc(F)c(F)c1)N1CCOCC1 ZINC000173306950 367894473 /nfs/dbraw/zinc/89/44/73/367894473.db2.gz JAHQATDBNBFIGV-NEPJUHHUSA-N 1 0 284.350 2.336 10 0 CEAERO CC[C@@H]1CN(C(=O)C[C@@H](C)CC(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000174631472 368049555 /nfs/dbraw/zinc/04/95/55/368049555.db2.gz NFVYGVDNBMOURW-ARFHVFGLSA-N 1 0 298.471 2.362 10 0 CEAERO CC(C)[C@@H](C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000174744407 368063295 /nfs/dbraw/zinc/06/32/95/368063295.db2.gz LRYNDYGKEDQKDB-RLAWYHOSSA-N 1 0 267.417 2.345 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc(F)cc1 ZINC000175027808 368090326 /nfs/dbraw/zinc/09/03/26/368090326.db2.gz BBIAOVWCWOIYPT-JKSUJKDBSA-N 1 0 290.382 2.453 10 0 CEAERO C[C@@H]1CN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)C[C@@H]1[NH3+] ZINC000335522465 212211002 /nfs/dbraw/zinc/21/10/02/212211002.db2.gz VJCPYGKZDIYXIN-MFKMUULPSA-N 1 0 296.798 2.303 10 0 CEAERO CC[C@@H](CSC)NC(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000181457951 368457104 /nfs/dbraw/zinc/45/71/04/368457104.db2.gz AJCPUBQKXDBVPF-QWHCGFSZSA-N 1 0 287.473 2.254 10 0 CEAERO CCCC[C@H](C)[NH2+][C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182350273 368556388 /nfs/dbraw/zinc/55/63/88/368556388.db2.gz GSYSYAJKUMYNSL-JSGCOSHPSA-N 1 0 292.427 2.392 10 0 CEAERO CCN1CCC[C@H]([NH2+][C@H](C)CC(=O)OC(C)(C)C)C1 ZINC000246043339 370901886 /nfs/dbraw/zinc/90/18/86/370901886.db2.gz XHZQUAAHOBDPTF-OLZOCXBDSA-N 1 0 270.417 2.181 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc[nH]c1C ZINC000246131881 370912717 /nfs/dbraw/zinc/91/27/17/370912717.db2.gz FNIDFJXWMJXRFD-STQMWFEESA-N 1 0 261.369 2.022 10 0 CEAERO C[N@@H+]([C@@H]1C=CCCC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000246319542 370946830 /nfs/dbraw/zinc/94/68/30/370946830.db2.gz ZUSZIXLZIMMJQR-CABCVRRESA-N 1 0 272.396 2.486 10 0 CEAERO C[C@H](CCC1CC1)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634771052 368875724 /nfs/dbraw/zinc/87/57/24/368875724.db2.gz HDNZJYBMZKTXKQ-ZLDLUXBVSA-N 1 0 250.386 2.071 10 0 CEAERO C[C@@H]1CCN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)[C@H](C)C1 ZINC000634771804 368876376 /nfs/dbraw/zinc/87/63/76/368876376.db2.gz JTDXSRYPIFPUEV-CXTNEJHOSA-N 1 0 250.386 2.023 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+]CCCC(C)(C)CO)C12CCOCC2 ZINC000186355457 368962417 /nfs/dbraw/zinc/96/24/17/368962417.db2.gz DFRGYIBSVAYCGF-CABCVRRESA-N 1 0 299.455 2.349 10 0 CEAERO CCn1cc(CC[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)cn1 ZINC000348355299 369014091 /nfs/dbraw/zinc/01/40/91/369014091.db2.gz XYBRHNLQFBHLLU-GVDBMIGSSA-N 1 0 291.439 2.461 10 0 CEAERO CCCc1cccc(CN2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000186756423 369035250 /nfs/dbraw/zinc/03/52/50/369035250.db2.gz ONXHHSHYPMEJDY-KRWDZBQOSA-N 1 0 276.424 2.402 10 0 CEAERO C[C@@H](O)CN1CC[N@H+](CCCCc2ccccc2)C[C@H]1C ZINC000186969885 369078140 /nfs/dbraw/zinc/07/81/40/369078140.db2.gz PEVLNSMMVWNTDS-IAGOWNOFSA-N 1 0 290.451 2.396 10 0 CEAERO Cc1ccc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c(C)n1 ZINC000186990131 369081258 /nfs/dbraw/zinc/08/12/58/369081258.db2.gz IQZCGRFXOQASKC-OAHLLOKOSA-N 1 0 271.368 2.127 10 0 CEAERO CCOC(C)(C)CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1CC ZINC000187594744 369184740 /nfs/dbraw/zinc/18/47/40/369184740.db2.gz 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/nfs/dbraw/zinc/50/25/20/371502520.db2.gz IJFMSFVYMOLFJF-ZFVXVEAMSA-N 1 0 294.345 2.183 10 0 CEAERO Cc1cncc(/C=C\C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000255054535 371553714 /nfs/dbraw/zinc/55/37/14/371553714.db2.gz JDFIFYCXLUCZOR-OGZRUICASA-N 1 0 285.391 2.100 10 0 CEAERO CC(=O)N[C@H]1CCC[N@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000255495122 371591648 /nfs/dbraw/zinc/59/16/48/371591648.db2.gz POQVTSHIQOHHPZ-OUMXJLHTSA-N 1 0 276.355 2.439 10 0 CEAERO CCC[C@@H]1C[C@@H]1NC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000261556631 371645936 /nfs/dbraw/zinc/64/59/36/371645936.db2.gz CBVPZJCUCFVXFQ-CRWXNKLISA-N 1 0 252.402 2.317 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(Cc3cncc(Br)c3)C[C@@H]12 ZINC000261565453 371649673 /nfs/dbraw/zinc/64/96/73/371649673.db2.gz YKMRMOGBYMHCLP-RAIGVLPGSA-N 1 0 296.212 2.013 10 0 CEAERO c1ccc2c(c1)[nH+]ccc2N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261582939 371661500 /nfs/dbraw/zinc/66/15/00/371661500.db2.gz GXLKZASANFZNMP-INIZCTEOSA-N 1 0 253.349 2.425 10 0 CEAERO C[C@H]([NH3+])C1CCN(c2cncc(Br)c2)CC1 ZINC000261580980 371661546 /nfs/dbraw/zinc/66/15/46/371661546.db2.gz NGTXKUJEAPGQSN-VIFPVBQESA-N 1 0 284.201 2.408 10 0 CEAERO C[NH2+][C@H](C)Cc1noc([C@H](C)c2ccc(OC)cc2)n1 ZINC000261861193 371753109 /nfs/dbraw/zinc/75/31/09/371753109.db2.gz UKQKKHVATWJXHO-GHMZBOCLSA-N 1 0 275.352 2.380 10 0 CEAERO CC(C)c1ccc(CN(C)C(=O)[C@H]2NCCO[C@@H]2C)cc1 ZINC000261901960 371766506 /nfs/dbraw/zinc/76/65/06/371766506.db2.gz HVADJPQPDMISHN-CJNGLKHVSA-N 1 0 290.407 2.145 10 0 CEAERO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)cc1F ZINC000261992619 371792732 /nfs/dbraw/zinc/79/27/32/371792732.db2.gz SZBDQOLLRYEHQW-UAGQMJEPSA-N 1 0 292.398 2.381 10 0 CEAERO C[C@H]1CN(Cc2ccc(OCc3cccnc3)cc2)C[C@H]1[NH3+] ZINC000261961689 371785870 /nfs/dbraw/zinc/78/58/70/371785870.db2.gz HIYBIDDXLBJWPD-KBXCAEBGSA-N 1 0 297.402 2.440 10 0 CEAERO C(COC1CCCCC1)[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000261975716 371788476 /nfs/dbraw/zinc/78/84/76/371788476.db2.gz RARJMKZMIIPWFD-GVDBMIGSSA-N 1 0 296.455 2.082 10 0 CEAERO C[C@H]1CN(Cc2nc3ccc(Cl)cc3n2C)C[C@@H]1[NH3+] ZINC000262009201 371797424 /nfs/dbraw/zinc/79/74/24/371797424.db2.gz MCJOFAFAXLXQLB-ONGXEEELSA-N 1 0 278.787 2.006 10 0 CEAERO C[C@H]1CN(Cc2ccccc2OCc2cccnc2)C[C@H]1[NH3+] ZINC000262034393 371804897 /nfs/dbraw/zinc/80/48/97/371804897.db2.gz OJUGRKMTGCNJJI-WMLDXEAASA-N 1 0 297.402 2.440 10 0 CEAERO C[C@@]1(CN2CCC[C@H](c3noc(C4CC4)n3)C2)CC[NH2+]C1 ZINC000262039520 371807655 /nfs/dbraw/zinc/80/76/55/371807655.db2.gz OZDDWCYYIAWCKK-XJKSGUPXSA-N 1 0 290.411 2.126 10 0 CEAERO CCn1cc(C2CC[NH+](Cc3cnc(N)s3)CC2)cn1 ZINC000262078367 371819917 /nfs/dbraw/zinc/81/99/17/371819917.db2.gz SVKLMACRLGWJPZ-UHFFFAOYSA-N 1 0 291.424 2.321 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1csc(-c2ccoc2)n1 ZINC000238052719 189898380 /nfs/dbraw/zinc/89/83/80/189898380.db2.gz DTUVINBABKHZLD-GXSJLCMTSA-N 1 0 291.376 2.260 10 0 CEAERO CCCc1nsc(N2CC[C@]3(C2)CCC[NH2+]C3)n1 ZINC000643038229 372930113 /nfs/dbraw/zinc/93/01/13/372930113.db2.gz TXODCXFBMDGXIE-CYBMUJFWSA-N 1 0 266.414 2.071 10 0 CEAERO CCc1cc(NC(=O)[C@]2(COC)CCC[NH2+]2)ccc1C ZINC000643779121 373265223 /nfs/dbraw/zinc/26/52/23/373265223.db2.gz QVKZTECOKAMACN-MRXNPFEDSA-N 1 0 276.380 2.265 10 0 CEAERO CC(C)(CNC(=O)C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000054308290 541887173 /nfs/dbraw/zinc/88/71/73/541887173.db2.gz IGYBTAAXJFXSPA-CQSZACIVSA-N 1 0 274.408 2.470 10 0 CEAERO Cc1cc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(C)s1 ZINC000644105247 373411094 /nfs/dbraw/zinc/41/10/94/373411094.db2.gz BCLWFBBWCGHLBE-UHTWSYAYSA-N 1 0 264.394 2.174 10 0 CEAERO OC1(C[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)C2)CCOCC1 ZINC000644586005 373545281 /nfs/dbraw/zinc/54/52/81/373545281.db2.gz VIZMUISPDWXXAN-RYUDHWBXSA-N 1 0 295.345 2.486 10 0 CEAERO CCc1cc(N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)nc(C)n1 ZINC000272913778 373708657 /nfs/dbraw/zinc/70/86/57/373708657.db2.gz RTKCIMNZKUDLQW-BXUZGUMPSA-N 1 0 262.401 2.488 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1csc(Cl)n1 ZINC000274517983 373948064 /nfs/dbraw/zinc/94/80/64/373948064.db2.gz RSCDDBGPQZRMEU-RKDXNWHRSA-N 1 0 285.800 2.105 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000247324031 189938216 /nfs/dbraw/zinc/93/82/16/189938216.db2.gz SYRKVRSNBBPXON-RWMBFGLXSA-N 1 0 294.345 2.408 10 0 CEAERO Cc1cnc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)o1 ZINC000374175916 374507170 /nfs/dbraw/zinc/50/71/70/374507170.db2.gz URZXIFJDTJWOEA-BFHYXJOUSA-N 1 0 264.369 2.499 10 0 CEAERO [NH3+]CC[C@H](Nc1ncccc1Br)C(F)F ZINC000383444746 321848339 /nfs/dbraw/zinc/84/83/39/321848339.db2.gz GDEVAMVIXRIQDW-ZETCQYMHSA-N 1 0 280.116 2.239 10 0 CEAERO CCCc1nsc(N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)n1 ZINC000380231254 375161733 /nfs/dbraw/zinc/16/17/33/375161733.db2.gz LOAFQDRBVZZFMO-QWHCGFSZSA-N 1 0 288.420 2.422 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@@H](C)c2sccc2C)C1 ZINC000165251572 541992396 /nfs/dbraw/zinc/99/23/96/541992396.db2.gz RFBJBOYUDMFCCB-STQMWFEESA-N 1 0 268.426 2.428 10 0 CEAERO CCN1CC[C@H]([NH2+][C@@H](C)Cc2ccccc2F)C1 ZINC000389236238 375300089 /nfs/dbraw/zinc/30/00/89/375300089.db2.gz JVDYXXDWDTWCGV-JSGCOSHPSA-N 1 0 250.361 2.441 10 0 CEAERO CC(F)(F)CCC[NH2+]C[C@H](O)COCc1ccco1 ZINC000390090438 375310756 /nfs/dbraw/zinc/31/07/56/375310756.db2.gz IRXRDJSDPRUKMY-NSHDSACASA-N 1 0 277.311 2.182 10 0 CEAERO Cc1scc(CNC(=O)[C@@H]2CCC[NH2+][C@H]2C)c1C ZINC000399777553 375367980 /nfs/dbraw/zinc/36/79/80/375367980.db2.gz PMXITFRAPBBYKH-GXFFZTMASA-N 1 0 266.410 2.369 10 0 CEAERO C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000282331789 375457497 /nfs/dbraw/zinc/45/74/97/375457497.db2.gz OFIHYWBRKDMMET-JTNHKYCSSA-N 1 0 264.344 2.013 10 0 CEAERO COc1ccc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)cc1Cl ZINC000282187994 375423355 /nfs/dbraw/zinc/42/33/55/375423355.db2.gz BTKAMQDNNCENSI-SKDRFNHKSA-N 1 0 282.771 2.105 10 0 CEAERO COc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@@H]2C)c(F)c1 ZINC000282391839 375473673 /nfs/dbraw/zinc/47/36/73/375473673.db2.gz RDHYRDPXNRJZSP-IMSIIYSGSA-N 1 0 280.343 2.152 10 0 CEAERO CCCOc1cccc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)c1 ZINC000282205194 375428697 /nfs/dbraw/zinc/42/86/97/375428697.db2.gz CXJPLZNZTNHFQH-DOMZBBRYSA-N 1 0 276.380 2.232 10 0 CEAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1cccc(Br)c1 ZINC000282247100 375438257 /nfs/dbraw/zinc/43/82/57/375438257.db2.gz GKDAEHFITUJIAK-BXKDBHETSA-N 1 0 297.196 2.206 10 0 CEAERO Cc1cnn(C)c1C[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C ZINC000286468286 375964588 /nfs/dbraw/zinc/96/45/88/375964588.db2.gz KTDLXOXZJFRSQJ-GFCCVEGCSA-N 1 0 296.415 2.121 10 0 CEAERO COC(=O)c1cccnc1C[N@@H+]1C[C@@H](C)CC[C@H]1C ZINC000306004425 376536169 /nfs/dbraw/zinc/53/61/69/376536169.db2.gz VTXUMAMKWRWMTJ-NWDGAFQWSA-N 1 0 262.353 2.489 10 0 CEAERO [NH3+][C@H]1CCO[C@H]1c1cc(F)cc(Br)c1 ZINC000306187301 376543187 /nfs/dbraw/zinc/54/31/87/376543187.db2.gz BTPYJGPGLPEECA-UWVGGRQHSA-N 1 0 260.106 2.377 10 0 CEAERO Cc1ccc(CN2C[C@H]3CCCC[N@H+]3C[C@H]2C)nc1 ZINC000334322098 206367188 /nfs/dbraw/zinc/36/71/88/206367188.db2.gz IKXWPBCFWORXBS-GDBMZVCRSA-N 1 0 259.397 2.449 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]CCC(C)(C)O)c1C ZINC000311072714 376651240 /nfs/dbraw/zinc/65/12/40/376651240.db2.gz MBBWCFZNUZKJGA-JTQLQIEISA-N 1 0 253.390 2.331 10 0 CEAERO CCS(=O)(=O)c1ccccc1N[C@H](C)CCCC[NH3+] ZINC000311894687 376692946 /nfs/dbraw/zinc/69/29/46/376692946.db2.gz ZFMSJXLTJNQXRQ-GFCCVEGCSA-N 1 0 284.425 2.410 10 0 CEAERO COc1cc(Cl)ccc1C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000312481923 376716841 /nfs/dbraw/zinc/71/68/41/376716841.db2.gz NTRNLDJSSAXCCU-MEBBXXQBSA-N 1 0 296.798 2.406 10 0 CEAERO O=C(C[NH2+][C@@H]1CCc2c1cccc2O)NCc1ccccc1 ZINC000314617793 376779076 /nfs/dbraw/zinc/77/90/76/376779076.db2.gz VZXWRZSNEPPZFD-MRXNPFEDSA-N 1 0 296.370 2.286 10 0 CEAERO COc1cccc(NC(=O)C[NH2+]C2(C(C)C)CC2)c1 ZINC000293220216 377479294 /nfs/dbraw/zinc/47/92/94/377479294.db2.gz YTKMRRVHTKRMKK-UHFFFAOYSA-N 1 0 262.353 2.412 10 0 CEAERO [NH3+]C1CCN(c2cc(Nc3ccccc3)ncn2)CC1 ZINC000057330499 542180748 /nfs/dbraw/zinc/18/07/48/542180748.db2.gz OIJPBKHTGHDOCI-UHFFFAOYSA-N 1 0 269.352 2.148 10 0 CEAERO Cc1cc(NC(=O)C[C@@H]2CCC[NH2+]C2)ccc1F ZINC000061119377 542211722 /nfs/dbraw/zinc/21/17/22/542211722.db2.gz PLIHHIJBJZCRKS-NSHDSACASA-N 1 0 250.317 2.462 10 0 CEAERO Cc1cc(C)nc(N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)n1 ZINC000312714857 249374227 /nfs/dbraw/zinc/37/42/27/249374227.db2.gz FRRTYAJPUWCOCP-LSDHHAIUSA-N 1 0 268.364 2.025 10 0 CEAERO Cc1c(C[NH2+]CCOCC2CCCC2)cnn1C ZINC000313281634 249392577 /nfs/dbraw/zinc/39/25/77/249392577.db2.gz LIMZHILYRLMQBN-UHFFFAOYSA-N 1 0 251.374 2.025 10 0 CEAERO CCNC(=O)C(C)(C)[NH2+]C[C@@H]1CCCCC1(F)F ZINC000313075828 249379280 /nfs/dbraw/zinc/37/92/80/249379280.db2.gz NZGGXFIGEWSHJR-JTQLQIEISA-N 1 0 262.344 2.316 10 0 CEAERO CS[C@H]1CC[N@H+](C[C@@](C)(O)c2ccccc2)C1 ZINC000294195144 377934786 /nfs/dbraw/zinc/93/47/86/377934786.db2.gz GMXPSRRJCXZMKB-UONOGXRCSA-N 1 0 251.395 2.331 10 0 CEAERO CCC[N@H+](C[C@@H](O)COCc1ccccc1)CC(C)(C)O ZINC000265995621 190222048 /nfs/dbraw/zinc/22/20/48/190222048.db2.gz HHWCRWLSCDZZKL-MRXNPFEDSA-N 1 0 295.423 2.047 10 0 CEAERO C[C@H]1[C@H](O)CCC[N@@H+]1CCc1ccc2c(c1)CCO2 ZINC000296317866 378488884 /nfs/dbraw/zinc/48/88/84/378488884.db2.gz QDRFGSGUALUIJN-SWLSCSKDSA-N 1 0 261.365 2.009 10 0 CEAERO Cc1n[nH]cc1[C@H](C)[NH2+][C@H](CC(C)C)CN(C)C ZINC000180436027 542264007 /nfs/dbraw/zinc/26/40/07/542264007.db2.gz CBZHLDZNPYMMBK-WCQYABFASA-N 1 0 252.406 2.345 10 0 CEAERO CCOc1ccc(CNc2cc[nH+]cc2C(N)=O)cc1C ZINC000302224992 379334861 /nfs/dbraw/zinc/33/48/61/379334861.db2.gz OIEXVYWBHBLPAJ-UHFFFAOYSA-N 1 0 285.347 2.500 10 0 CEAERO OC[C@H]1CCC[N@@H+]1C[C@@H]1CCCN1c1ccncc1Cl ZINC000301696509 379298535 /nfs/dbraw/zinc/29/85/35/379298535.db2.gz BHJRCOABSICYDO-QWHCGFSZSA-N 1 0 295.814 2.161 10 0 CEAERO CC(C)(C)[C@H](O)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000305638609 379722307 /nfs/dbraw/zinc/72/23/07/379722307.db2.gz IWIKHOYVBOWONP-DGAVXFQQSA-N 1 0 267.413 2.331 10 0 CEAERO Cc1cc2ncc([C@H](C)[NH2+][C@H]3CCC[C@H](O)C3)c(C)n2n1 ZINC000037163574 542278507 /nfs/dbraw/zinc/27/85/07/542278507.db2.gz RSYUSMFWWSSQSA-UBHSHLNASA-N 1 0 288.395 2.300 10 0 CEAERO C[C@@H]1C[C@@H](O)C[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000334745995 207007318 /nfs/dbraw/zinc/00/73/18/207007318.db2.gz MPQAZLFHWUGFLI-CZUORRHYSA-N 1 0 271.364 2.075 10 0 CEAERO C[C@H]([NH2+]CC(=O)Nc1cc(F)cc(F)c1)[C@H]1CCCO1 ZINC000183106878 542287017 /nfs/dbraw/zinc/28/70/17/542287017.db2.gz HCUHSGUWBRYXHA-TVQRCGJNSA-N 1 0 284.306 2.060 10 0 CEAERO COCCN1CC[N@H+](Cc2cccc3cnccc32)C[C@H]1C ZINC000183277303 542290023 /nfs/dbraw/zinc/29/00/23/542290023.db2.gz NHBSZCLJNKVJPJ-OAHLLOKOSA-N 1 0 299.418 2.387 10 0 CEAERO CC[C@H](O)C[NH+]1CCN(Cc2cccc3cnccc32)CC1 ZINC000183288981 542290727 /nfs/dbraw/zinc/29/07/27/542290727.db2.gz RSUZVCPTZYUVKV-KRWDZBQOSA-N 1 0 299.418 2.123 10 0 CEAERO c1cn(C[C@H]2CCC[N@@H+]2Cc2cnn3ccccc23)cn1 ZINC000188403624 542321272 /nfs/dbraw/zinc/32/12/72/542321272.db2.gz JDNJJIQDPDZXNM-OAHLLOKOSA-N 1 0 281.363 2.195 10 0 CEAERO C[NH2+][C@@H](C)c1c(F)cccc1N(CCO)C1CC1 ZINC000042479883 184553773 /nfs/dbraw/zinc/55/37/73/184553773.db2.gz QYMSREGGHPRPNH-JTQLQIEISA-N 1 0 252.333 2.067 10 0 CEAERO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@@H](C)C2CC2)c1 ZINC000037889459 184542433 /nfs/dbraw/zinc/54/24/33/184542433.db2.gz XWQQKNWLIUFTEL-DZGCQCFKSA-N 1 0 263.381 2.431 10 0 CEAERO CC(C)N1C(=O)CC[C@H]([NH3+])[C@@H]1c1cc(F)ccc1F ZINC000070986807 184574547 /nfs/dbraw/zinc/57/45/47/184574547.db2.gz GFENWRUHCHQATN-JSGCOSHPSA-N 1 0 268.307 2.364 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1coc(C2CCC2)n1 ZINC000192572341 542348777 /nfs/dbraw/zinc/34/87/77/542348777.db2.gz HASSGJFRORHGTE-WCQYABFASA-N 1 0 289.379 2.251 10 0 CEAERO C[C@@H](OC[C@H](O)C[NH2+]CC(C)(C)N(C)C)c1ccccc1 ZINC000043411376 184560187 /nfs/dbraw/zinc/56/01/87/184560187.db2.gz DOUKNKYQKOIOGR-GDBMZVCRSA-N 1 0 294.439 2.055 10 0 CEAERO C[NH+](C)C(C)(C)CNc1ncc(Br)cc1N ZINC000043411360 184560224 /nfs/dbraw/zinc/56/02/24/184560224.db2.gz BESDSCMDXSAIQX-UHFFFAOYSA-N 1 0 287.205 2.178 10 0 CEAERO C[C@]12C[C@H](CC(C)(C)C1)N(C(=O)CC1C[NH2+]C1)C2 ZINC000081764811 184596211 /nfs/dbraw/zinc/59/62/11/184596211.db2.gz KTLBQVQJVFWBEI-WFASDCNBSA-N 1 0 250.386 2.023 10 0 CEAERO CCN(C(=O)CC1C[NH2+]C1)[C@@H](C)c1ccc(F)cc1 ZINC000081764670 184596336 /nfs/dbraw/zinc/59/63/36/184596336.db2.gz QLTIGMLFJAMHPI-NSHDSACASA-N 1 0 264.344 2.345 10 0 CEAERO CC[NH2+][C@](C)(CO)CCCN1CCc2ccccc21 ZINC000085217046 184605786 /nfs/dbraw/zinc/60/57/86/184605786.db2.gz UUPKODYIWIBSRM-INIZCTEOSA-N 1 0 262.397 2.190 10 0 CEAERO COc1ccc(NC(=O)COC2(C[NH3+])CCCCC2)cc1 ZINC000086711123 184610674 /nfs/dbraw/zinc/61/06/74/184610674.db2.gz VNKOXJQXWZHMFE-UHFFFAOYSA-N 1 0 292.379 2.312 10 0 CEAERO [NH3+][C@@H](C[C@H]1CCCO1)c1cc2c(cc1Cl)NC(=O)C2 ZINC000087212895 184612968 /nfs/dbraw/zinc/61/29/68/184612968.db2.gz GZRMGINCOSHKJW-SKDRFNHKSA-N 1 0 280.755 2.404 10 0 CEAERO CCCN(CCC)S(=O)(=O)c1ccc(CC[NH2+]C)cc1 ZINC000088914610 184614187 /nfs/dbraw/zinc/61/41/87/184614187.db2.gz XCWWVVLEMYHBCE-UHFFFAOYSA-N 1 0 298.452 2.259 10 0 CEAERO CCCN(CC)S(=O)(=O)c1ccsc1C[NH2+]CC ZINC000088944693 184615179 /nfs/dbraw/zinc/61/51/79/184615179.db2.gz UPEHFHCMMCORSP-UHFFFAOYSA-N 1 0 290.454 2.278 10 0 CEAERO CCCCCN(CCCCC)C(=O)[C@@H]1COC[C@H]1[NH2+]C ZINC000090435235 184616368 /nfs/dbraw/zinc/61/63/68/184616368.db2.gz XXVODCIBDVZRDO-HUUCEWRRSA-N 1 0 284.444 2.430 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@@H](Sc1cnccn1)C2 ZINC000092860773 184632628 /nfs/dbraw/zinc/63/26/28/184632628.db2.gz KTOMSSZQEBFINJ-JSGCOSHPSA-N 1 0 273.361 2.202 10 0 CEAERO CC[NH2+][C@@H](CSC1COC1)c1ccc(OC)cc1 ZINC000092712936 184622246 /nfs/dbraw/zinc/62/22/46/184622246.db2.gz SXMMDURVTIDLKY-AWEZNQCLSA-N 1 0 267.394 2.478 10 0 CEAERO C[C@@H]1CCCN(C(=O)OCC[C@@H]2CCC[NH2+]C2)C1 ZINC000092743584 184624293 /nfs/dbraw/zinc/62/42/93/184624293.db2.gz HZLZHKUZHWAZML-OLZOCXBDSA-N 1 0 254.374 2.245 10 0 CEAERO COC(=O)[C@H](C)[C@H](C)[NH2+]CCc1ccc(F)cc1 ZINC000093025477 184643108 /nfs/dbraw/zinc/64/31/08/184643108.db2.gz PTDRNWFAFFSDQQ-MNOVXSKESA-N 1 0 253.317 2.155 10 0 CEAERO Cc1cc(CC2(c3cccc(Cl)c3)C[NH2+]C2)n(C)n1 ZINC000093196924 184654732 /nfs/dbraw/zinc/65/47/32/184654732.db2.gz GTNWMAWKUVFUDQ-UHFFFAOYSA-N 1 0 275.783 2.466 10 0 CEAERO COc1cc(N[C@H]2CC[C@@H]([NH3+])C2)cc(OC)c1OC ZINC000093205082 184655146 /nfs/dbraw/zinc/65/51/46/184655146.db2.gz HHIXUPVKKSYFGE-ZJUUUORDSA-N 1 0 266.341 2.004 10 0 CEAERO C[NH2+]C[C@@H](Cc1cc(C)nn1C)c1cccc(F)c1 ZINC000093164656 184652919 /nfs/dbraw/zinc/65/29/19/184652919.db2.gz NXVBHIJNKNABQF-CYBMUJFWSA-N 1 0 261.344 2.413 10 0 CEAERO COCCOCC[C@H](C[NH3+])c1cccc(Cl)c1 ZINC000093166322 184653302 /nfs/dbraw/zinc/65/33/02/184653302.db2.gz HOAZBRZAEZEWQQ-GFCCVEGCSA-N 1 0 257.761 2.435 10 0 CEAERO COc1ccc(OC)c(N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000093209669 184655843 /nfs/dbraw/zinc/65/58/43/184655843.db2.gz BJYGDTOTDTTXBV-GHMZBOCLSA-N 1 0 250.342 2.386 10 0 CEAERO C[NH2+]CCCC(=O)N(C)[C@H](C)Cc1cccs1 ZINC000093289170 184660841 /nfs/dbraw/zinc/66/08/41/184660841.db2.gz OUSISEVJHQCZCB-LLVKDONJSA-N 1 0 254.399 2.137 10 0 CEAERO COc1cccc(NC(=O)O[C@H]2CC[C@H]([NH3+])C2)c1 ZINC000093220410 184656775 /nfs/dbraw/zinc/65/67/75/184656775.db2.gz KFEZZDQUVSYNMQ-CABZTGNLSA-N 1 0 250.298 2.124 10 0 CEAERO O=C1C[C@]2(CN1)CCC[N@@H+](C[C@@H]1CCCC1(F)F)C2 ZINC000334624656 296351778 /nfs/dbraw/zinc/35/17/78/296351778.db2.gz XUJPOFAEOKMKPA-AAEUAGOBSA-N 1 0 272.339 2.024 10 0 CEAERO COc1cc(N[C@@H](C)[C@@H]2CC[NH2+]C2)cc(OC)c1 ZINC000400344395 533037285 /nfs/dbraw/zinc/03/72/85/533037285.db2.gz GOMQLMMJVVQLAX-WDEREUQCSA-N 1 0 250.342 2.114 10 0 CEAERO COC(=O)C(C)(C)N[C@@H]1CCCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000093494775 184684367 /nfs/dbraw/zinc/68/43/67/184684367.db2.gz URLVSMDETVBRBI-MELADBBJSA-N 1 0 282.428 2.229 10 0 CEAERO CC[NH2+][C@H](CN1C(=O)CC(C)CC1=O)c1ccc(C)cc1 ZINC000093356572 184666908 /nfs/dbraw/zinc/66/69/08/184666908.db2.gz WDWCDZDUONMPAE-OAHLLOKOSA-N 1 0 288.391 2.431 10 0 CEAERO CCCN1C(=[NH2+])NC[C@H]1c1ccc(OC)c(OC(F)F)c1 ZINC000093373412 184668357 /nfs/dbraw/zinc/66/83/57/184668357.db2.gz DSSDZJVKHAWZAS-JTQLQIEISA-N 1 0 299.321 2.378 10 0 CEAERO NC(=[NH2+])c1c(F)cccc1OCc1ccc2c(c1)OCO2 ZINC000093409078 184671676 /nfs/dbraw/zinc/67/16/76/184671676.db2.gz JQWSPIVQXKWFQR-UHFFFAOYSA-N 1 0 288.278 2.417 10 0 CEAERO [NH3+]CC1CCC(C(=O)N2CCc3ccc(O)cc3C2)CC1 ZINC000093425329 184674323 /nfs/dbraw/zinc/67/43/23/184674323.db2.gz KVWUJVGTALFSGD-UHFFFAOYSA-N 1 0 288.391 2.042 10 0 CEAERO C[NH2+][C@@H](c1ccc(OC)cc1)[C@@H](C)S(=O)(=O)CC(C)C ZINC000081929914 177900036 /nfs/dbraw/zinc/90/00/36/177900036.db2.gz QQMSLFQXJFVDHQ-IUODEOHRSA-N 1 0 299.436 2.415 10 0 CEAERO CC[C@H]1CC[C@@H]([NH3+])[C@H](Sc2nnc(C)n2C)C1 ZINC000081886200 177878066 /nfs/dbraw/zinc/87/80/66/177878066.db2.gz DBKDHEGZBNPMMY-HBNTYKKESA-N 1 0 254.403 2.122 10 0 CEAERO CCC[NH2+][C@H](CSc1n[nH]c(=O)n1CC)C(C)(C)C ZINC000081879871 177874228 /nfs/dbraw/zinc/87/42/28/177874228.db2.gz CMPVCISKEJWFOG-SNVBAGLBSA-N 1 0 286.445 2.098 10 0 CEAERO [NH3+][C@H]1CCC2(C[C@@H]1SCc1ccco1)OCCO2 ZINC000081773218 177856834 /nfs/dbraw/zinc/85/68/34/177856834.db2.gz KSRSFOMYNYPEJF-RYUDHWBXSA-N 1 0 269.366 2.136 10 0 CEAERO FC(F)(F)c1ccnc(N[C@H]2CCCC[NH2+]C2)n1 ZINC000081587125 177825467 /nfs/dbraw/zinc/82/54/67/177825467.db2.gz KWUHIUDNXQGUMX-QMMMGPOBSA-N 1 0 260.263 2.049 10 0 CEAERO O[C@@H]1CCCC[C@@H]1[N@@H+]1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000299744672 285311800 /nfs/dbraw/zinc/31/18/00/285311800.db2.gz UCNMLDLPQJEYAF-RRQGHBQHSA-N 1 0 289.423 2.312 10 0 CEAERO NC(=[NH2+])c1cccc(N2CCCc3ccccc3C2)n1 ZINC000081621299 177832839 /nfs/dbraw/zinc/83/28/39/177832839.db2.gz HZKLCAGQPLYANV-UHFFFAOYSA-N 1 0 266.348 2.318 10 0 CEAERO O[C@H]1CCC[C@H]1[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000081556965 177818252 /nfs/dbraw/zinc/81/82/52/177818252.db2.gz HKCDNFTYUQNLQG-ZACQAIPSSA-N 1 0 274.408 2.154 10 0 CEAERO Cc1noc(C)c1CN1CC[C@@H]2[C@@H]1CC[N@@H+]2CC1CC1 ZINC000252005881 256690086 /nfs/dbraw/zinc/69/00/86/256690086.db2.gz OSQZJKUKDXTYOK-CVEARBPZSA-N 1 0 275.396 2.350 10 0 CEAERO C[C@H](c1ccncc1)N(C)C(=O)[C@@H]1CCCCC[NH2+]1 ZINC000080996906 177751638 /nfs/dbraw/zinc/75/16/38/177751638.db2.gz FXASXQUHHQHZKJ-OCCSQVGLSA-N 1 0 261.369 2.133 10 0 CEAERO C[C@@H]1CCC[C@]([NH3+])(C(=O)N(C)Cc2cscn2)C1 ZINC000080929202 177732027 /nfs/dbraw/zinc/73/20/27/177732027.db2.gz LEVBJPOROWVWLP-ZWNOBZJWSA-N 1 0 267.398 2.009 10 0 CEAERO CN1CCC[C@H]([NH3+])[C@@H]1c1cccc2c1OC(C)(C)C2 ZINC000080508515 177660458 /nfs/dbraw/zinc/66/04/58/177660458.db2.gz ZKFDAWKLTKZSMQ-KBPBESRZSA-N 1 0 260.381 2.494 10 0 CEAERO C[C@@H](NC(=O)c1ccccc1CC[NH3+])c1nccs1 ZINC000080269943 177634951 /nfs/dbraw/zinc/63/49/51/177634951.db2.gz UODCTNNALJCWIL-SNVBAGLBSA-N 1 0 275.377 2.135 10 0 CEAERO CC(C)CS(=O)(=O)N1CCCC[C@H]1C[NH2+]C(C)(C)C ZINC000080194099 177623756 /nfs/dbraw/zinc/62/37/56/177623756.db2.gz SGIFALRXJBGDFW-ZDUSSCGKSA-N 1 0 290.473 2.215 10 0 CEAERO CCOC(=O)[C@@]1(N)CC[C@H]([NH+]2CCCCCCC2)C1 ZINC000093822493 184726009 /nfs/dbraw/zinc/72/60/09/184726009.db2.gz PHJVBWZIHXDVRK-DZGCQCFKSA-N 1 0 268.401 2.066 10 0 CEAERO CCN[C@@]1(C(=O)OC)CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC000093582841 184692982 /nfs/dbraw/zinc/69/29/82/184692982.db2.gz JMAHOWXTTZSRFO-RDJZCZTQSA-N 1 0 296.455 2.430 10 0 CEAERO Cc1nn(CC[C@H]2CCC[C@@]2([NH3+])CO)c(C)c1Cl ZINC000093618492 184696936 /nfs/dbraw/zinc/69/69/36/184696936.db2.gz SPOACOGLLLKXPT-DGCLKSJQSA-N 1 0 271.792 2.033 10 0 CEAERO CCC[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCSCC ZINC000093627809 184698669 /nfs/dbraw/zinc/69/86/69/184698669.db2.gz LBPCAPPNMJLBEJ-DGCLKSJQSA-N 1 0 258.431 2.153 10 0 CEAERO Cc1ccc(F)c(OCC[C@H]2CCC[C@]2(O)C[NH3+])c1 ZINC000093628253 184698881 /nfs/dbraw/zinc/69/88/81/184698881.db2.gz ZAEWNLRBCLNRGW-DOMZBBRYSA-N 1 0 267.344 2.393 10 0 CEAERO Cc1c(CNC2CC(C)(C)[NH2+]C(C)(C)C2)cnn1C ZINC000093649325 184701829 /nfs/dbraw/zinc/70/18/29/184701829.db2.gz NGGMEVBQVULQQF-UHFFFAOYSA-N 1 0 264.417 2.127 10 0 CEAERO CCc1cc(C/C(C)=C/CC[NH2+]CCOC)n(C)n1 ZINC000093676550 184704395 /nfs/dbraw/zinc/70/43/95/184704395.db2.gz HRDUSIYJKVFAKP-NTUHNPAUSA-N 1 0 265.401 2.097 10 0 CEAERO CCC[C@@H](CC[NH3+])CCc1nc([C@H](C)OC)no1 ZINC000093688815 184707006 /nfs/dbraw/zinc/70/70/06/184707006.db2.gz CORSIAJRBMKZPV-WDEREUQCSA-N 1 0 255.362 2.475 10 0 CEAERO CCC[C@H](CCC[C@H]1CCCN(S(C)(=O)=O)C1)[NH2+]C ZINC000093702238 184707921 /nfs/dbraw/zinc/70/79/21/184707921.db2.gz XZCSZOUZMRBQMI-UONOGXRCSA-N 1 0 290.473 2.216 10 0 CEAERO CC[NH2+][C@H](c1ccoc1)[C@H]1CN(C(C)C)CCO1 ZINC000093928141 184744011 /nfs/dbraw/zinc/74/40/11/184744011.db2.gz PRPKCCBRZXCLJW-ZIAGYGMSSA-N 1 0 252.358 2.039 10 0 CEAERO CCC[NH2+][C@H](c1ccoc1)[C@@H]1CN(C(C)C)CCO1 ZINC000093928845 184744745 /nfs/dbraw/zinc/74/47/45/184744745.db2.gz PAURPPGTYWTACY-LSDHHAIUSA-N 1 0 266.385 2.430 10 0 CEAERO CC1(C)C([NH3+])C(C)(C)C1NC(=O)c1ccc(F)cc1F ZINC000094006110 184749138 /nfs/dbraw/zinc/74/91/38/184749138.db2.gz FYFZLSPKKUNQCG-UHFFFAOYSA-N 1 0 282.334 2.457 10 0 CEAERO Clc1cccc(NCC2CC[NH2+]CC2)c1-n1cncn1 ZINC000094010007 184749459 /nfs/dbraw/zinc/74/94/59/184749459.db2.gz CYRVNNDIYQFQAG-UHFFFAOYSA-N 1 0 291.786 2.332 10 0 CEAERO CCNC(=O)c1ccc(C)c(NCC2CC[NH2+]CC2)c1 ZINC000094010079 184749998 /nfs/dbraw/zinc/74/99/98/184749998.db2.gz BYVXHRSXRJCHKW-UHFFFAOYSA-N 1 0 275.396 2.156 10 0 CEAERO Cn1ccnc1C[C@H]([NH3+])Cc1ccccc1Br ZINC000094159624 184757415 /nfs/dbraw/zinc/75/74/15/184757415.db2.gz IPVOWPNRLFZERR-LLVKDONJSA-N 1 0 294.196 2.295 10 0 CEAERO CC[NH2+][C@@H](CSCC(C)C)Cc1nccn1C ZINC000094160961 184757937 /nfs/dbraw/zinc/75/79/37/184757937.db2.gz GMSXJLXVVRAEHW-GFCCVEGCSA-N 1 0 255.431 2.330 10 0 CEAERO CCCN(C(=O)[C@@H]1CCO[C@H]1C)c1ccc(C[NH3+])cc1 ZINC000094173552 184758966 /nfs/dbraw/zinc/75/89/66/184758966.db2.gz NGZXZUHBKVKCLR-SWLSCSKDSA-N 1 0 276.380 2.313 10 0 CEAERO C[NH2+][C@H](Cc1nc2ccccc2n1C)C1CCOCC1 ZINC000094171616 184759244 /nfs/dbraw/zinc/75/92/44/184759244.db2.gz JYLVBDMFUKRYNX-CQSZACIVSA-N 1 0 273.380 2.130 10 0 CEAERO CN(C(=O)c1ccc(F)c(F)c1F)[C@H]1CCC[C@H]1C[NH3+] ZINC000094185135 184760377 /nfs/dbraw/zinc/76/03/77/184760377.db2.gz SCWMWEQLDHKUHQ-KWQFWETISA-N 1 0 286.297 2.303 10 0 CEAERO CCOC(=O)C[C@@](C)([NH3+])CCc1ccc(OC)cc1 ZINC000094290122 184776636 /nfs/dbraw/zinc/77/66/36/184776636.db2.gz XBKAOTXYOBWJRY-HNNXBMFYSA-N 1 0 265.353 2.298 10 0 CEAERO CCOC(=O)C[C@@](C)([NH3+])c1ccccc1OCC ZINC000094290135 184776722 /nfs/dbraw/zinc/77/67/22/184776722.db2.gz VNYFCGPOHWJCPE-CQSZACIVSA-N 1 0 251.326 2.212 10 0 CEAERO CCOC(=O)C[C@]1([NH3+])CCC[C@@H](C(F)(F)F)C1 ZINC000094290194 184776998 /nfs/dbraw/zinc/77/69/98/184776998.db2.gz JZAPDGSHXLGJEI-SCZZXKLOSA-N 1 0 253.264 2.390 10 0 CEAERO [NH3+]C1(CC(=O)Nc2ccccc2Cn2cccn2)CCC1 ZINC000094293917 184777403 /nfs/dbraw/zinc/77/74/03/184777403.db2.gz PRUXDZZKJFENMI-UHFFFAOYSA-N 1 0 284.363 2.141 10 0 CEAERO Cc1nc(C[C@@]2(C[NH3+])CCC(C)(C)[C@@H]2O)cs1 ZINC000094314880 184778996 /nfs/dbraw/zinc/77/89/96/184778996.db2.gz DBWCRVURBUBCIO-WCQYABFASA-N 1 0 254.399 2.120 10 0 CEAERO CC1(C)C([NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)C1(C)C ZINC000094375022 184790789 /nfs/dbraw/zinc/79/07/89/184790789.db2.gz UCLDYRBKVXXNSD-ABAIWWIYSA-N 1 0 253.386 2.349 10 0 CEAERO [NH3+]C1(CO[C@@H]2CCO[C@]3(CCOC3)C2)CCCCCC1 ZINC000094381163 184791455 /nfs/dbraw/zinc/79/14/55/184791455.db2.gz DYHNMNGDTURVOL-GDBMZVCRSA-N 1 0 283.412 2.393 10 0 CEAERO CC[NH2+][C@@H](CN(C)C)[C@H]1CCOC2(CCCC2)C1 ZINC000094407419 184793806 /nfs/dbraw/zinc/79/38/06/184793806.db2.gz IJVBLRKCONWQFC-KBPBESRZSA-N 1 0 254.418 2.266 10 0 CEAERO CCOC(OCC)[C@@H]([NH3+])[C@H]1CCOC2(CCC2)C1 ZINC000094407988 184794059 /nfs/dbraw/zinc/79/40/59/184794059.db2.gz JPIOAGMMPOQUDF-RYUDHWBXSA-N 1 0 257.374 2.062 10 0 CEAERO C[C@H]([NH3+])Cc1cnn([C@H]2CCOC3(CCSCC3)C2)c1 ZINC000094413262 184794333 /nfs/dbraw/zinc/79/43/33/184794333.db2.gz FGMSDSJMSUCBJL-JSGCOSHPSA-N 1 0 295.452 2.390 10 0 CEAERO Cc1nn([C@@H]2CCO[C@]3(CCOC3)C2)c(C)c1[C@@H](C)[NH3+] ZINC000094412336 184794511 /nfs/dbraw/zinc/79/45/11/184794511.db2.gz OANGASYIIURZNM-WDBKCZKBSA-N 1 0 279.384 2.030 10 0 CEAERO CCOC1CC[NH+](C[C@H]2C(=O)C(C)(C)OC2(C)C)CC1 ZINC000094428888 184796006 /nfs/dbraw/zinc/79/60/06/184796006.db2.gz GIXSNQNESLRPGZ-ZDUSSCGKSA-N 1 0 283.412 2.260 10 0 CEAERO C[NH2+][C@H](Cc1ncnn1C(C)C)c1ccc(Cl)cn1 ZINC000094844070 184879402 /nfs/dbraw/zinc/87/94/02/184879402.db2.gz JGIMKUNBFITRGO-GFCCVEGCSA-N 1 0 279.775 2.411 10 0 CEAERO C[NH2+][C@@H](C)c1cccc(NC(=O)[C@]2(C)CCCO2)c1 ZINC000094787527 184864048 /nfs/dbraw/zinc/86/40/48/184864048.db2.gz AYFDTUOWPBUDAP-NHYWBVRUSA-N 1 0 262.353 2.475 10 0 CEAERO CCCC[N@H+](CCO)CC[C@H](O)c1cc(F)cc(F)c1 ZINC000094831037 184876892 /nfs/dbraw/zinc/87/68/92/184876892.db2.gz GIKWFJLKHUMHDA-HNNXBMFYSA-N 1 0 287.350 2.483 10 0 CEAERO CCCNC(=O)CC[NH2+][C@H]1CSCC(C)(C)C1 ZINC000094488639 184809242 /nfs/dbraw/zinc/80/92/42/184809242.db2.gz ZRYXXIABWDOWGP-LLVKDONJSA-N 1 0 258.431 2.024 10 0 CEAERO C[NH2+][C@@H](C)CCc1nc([C@H]2CSCCS2)no1 ZINC000094500384 184810429 /nfs/dbraw/zinc/81/04/29/184810429.db2.gz KYWNLSDHJWOFQZ-DTWKUNHWSA-N 1 0 273.427 2.131 10 0 CEAERO [NH3+]C1(c2nc([C@H]3CSCCO3)no2)CCCCCC1 ZINC000094502161 184811241 /nfs/dbraw/zinc/81/12/41/184811241.db2.gz JXIRSDDKISVTTM-SNVBAGLBSA-N 1 0 283.397 2.382 10 0 CEAERO [NH2+]=C1NC[C@@H](c2cccc(C3CC3)c2)N1C[C@@H]1CCCO1 ZINC000094526396 184813637 /nfs/dbraw/zinc/81/36/37/184813637.db2.gz IAKQRZMCTDEDOJ-HOTGVXAUSA-N 1 0 285.391 2.414 10 0 CEAERO C[C@H]1C[C@H]([NH3+])CN(Cc2cnn(-c3ccccc3)c2)C1 ZINC000094547913 184815717 /nfs/dbraw/zinc/81/57/17/184815717.db2.gz SRRZUIQOGHKSCM-ZFWWWQNUSA-N 1 0 270.380 2.041 10 0 CEAERO C[C@H]1C[C@@H]([NH3+])CN(C(=O)c2cc(Cl)cn2C2CC2)C1 ZINC000094549245 184815750 /nfs/dbraw/zinc/81/57/50/184815750.db2.gz KUHVMYBABMANOH-GXSJLCMTSA-N 1 0 281.787 2.286 10 0 CEAERO C[C@H]1C[C@@H]([NH3+])CN(Cc2nc(-c3ccc(F)cc3)no2)C1 ZINC000094551850 184816547 /nfs/dbraw/zinc/81/65/47/184816547.db2.gz WKXSZRJNFVTLDF-GXFFZTMASA-N 1 0 290.342 2.045 10 0 CEAERO CC(C)c1ccc(NC(=O)[C@H]2CC[C@H](C[NH3+])O2)cc1 ZINC000094563376 184818227 /nfs/dbraw/zinc/81/82/27/184818227.db2.gz IXQXIOZCJLTVCY-ZIAGYGMSSA-N 1 0 262.353 2.255 10 0 CEAERO CCN(c1nc2c(C)cccn2n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000094607582 184825222 /nfs/dbraw/zinc/82/52/22/184825222.db2.gz FCUDFSIOFKBVKB-PBWFPOADSA-N 1 0 285.395 2.147 10 0 CEAERO CC[NH2+][C@@]1(C(N)=O)CC[C@H](Sc2cccc(F)c2)C1 ZINC000094624524 184828800 /nfs/dbraw/zinc/82/88/00/184828800.db2.gz NSFJRZWCASDLDX-JSGCOSHPSA-N 1 0 282.384 2.304 10 0 CEAERO C[NH2+][C@@](CO)(CSc1cccc(F)c1)C1CC1 ZINC000094627598 184828935 /nfs/dbraw/zinc/82/89/35/184828935.db2.gz PYVSFCLGPXGSKK-ZDUSSCGKSA-N 1 0 255.358 2.278 10 0 CEAERO CC[C@H](C)[C@H]([NH2+]C)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094642288 184832563 /nfs/dbraw/zinc/83/25/63/184832563.db2.gz TWBPJOIWBSCIRR-RNJOBUHISA-N 1 0 261.431 2.224 10 0 CEAERO COc1ccc(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)cc1F ZINC000094647241 184832923 /nfs/dbraw/zinc/83/29/23/184832923.db2.gz VKFUXHINDCQPMV-GXSJLCMTSA-N 1 0 266.316 2.161 10 0 CEAERO CC[C@H](C[NH3+])c1nc(-c2ccc(Cl)cn2)no1 ZINC000094842546 184878882 /nfs/dbraw/zinc/87/88/82/184878882.db2.gz WSGYCDGZGPNGSO-SSDOTTSWSA-N 1 0 252.705 2.237 10 0 CEAERO C[NH2+][C@@H](c1cc(OC)cc(OC)c1)[C@H]1CSCCO1 ZINC000094651668 184835175 /nfs/dbraw/zinc/83/51/75/184835175.db2.gz HCORKGIISPXXIU-KGLIPLIRSA-N 1 0 283.393 2.096 10 0 CEAERO Cc1ncccc1OC[C@@H]1CC[C@@H](C[NH2+]C(C)C)O1 ZINC000094673955 184838002 /nfs/dbraw/zinc/83/80/02/184838002.db2.gz WEBZDOUYCKAFON-KBPBESRZSA-N 1 0 264.369 2.314 10 0 CEAERO CC(C)C[C@@H](C[NH3+])C(=O)NCCc1ccc(F)cc1 ZINC000094696639 184842025 /nfs/dbraw/zinc/84/20/25/184842025.db2.gz OHPVTDRVBDMZFX-ZDUSSCGKSA-N 1 0 266.360 2.105 10 0 CEAERO CC(C)C[C@H](C[NH3+])C(=O)N(CC(F)(F)F)C(C)C ZINC000094698684 184842645 /nfs/dbraw/zinc/84/26/45/184842645.db2.gz WDRJMMCKPINLMJ-SNVBAGLBSA-N 1 0 268.323 2.407 10 0 CEAERO C[C@@H]1CCC[NH2+][C@H]1CNC(=O)Cc1cccc(F)c1F ZINC000094712179 184845517 /nfs/dbraw/zinc/84/55/17/184845517.db2.gz AOAWZXMMXLMLAB-MFKMUULPSA-N 1 0 282.334 2.012 10 0 CEAERO Cc1csc(Cn2ncc(C[NH2+]C3CC3)c2C)n1 ZINC000094978744 184910046 /nfs/dbraw/zinc/91/00/46/184910046.db2.gz SSAHRTODARDPBA-UHFFFAOYSA-N 1 0 262.382 2.257 10 0 CEAERO CC[C@@H]1CN(Cc2cccnc2OC)C(C)(C)C[NH2+]1 ZINC000095011439 184915115 /nfs/dbraw/zinc/91/51/15/184915115.db2.gz OQHCZIXZEDYFRZ-CYBMUJFWSA-N 1 0 263.385 2.053 10 0 CEAERO COC[C@H](C)CC(=O)N(CCC[NH3+])c1ccccc1 ZINC000095033439 184919650 /nfs/dbraw/zinc/91/96/50/184919650.db2.gz YYRILGDHHGRYRT-CYBMUJFWSA-N 1 0 264.369 2.041 10 0 CEAERO CC[C@@H]1CN(C(=O)Cc2ccc(F)c(F)c2)[C@H](CC)C[NH2+]1 ZINC000095046678 184924149 /nfs/dbraw/zinc/92/41/49/184924149.db2.gz ORSHOTONFYKTTO-CHWSQXEVSA-N 1 0 296.361 2.496 10 0 CEAERO Clc1ncc(CNC[C@H]2CCCC[NH2+]2)c(Cl)n1 ZINC000095070199 184932231 /nfs/dbraw/zinc/93/22/31/184932231.db2.gz FWLIUCSYAQXEGN-SECBINFHSA-N 1 0 275.183 2.015 10 0 CEAERO CSc1nccc(OCCC[C@@H]2CCCC[NH2+]2)n1 ZINC000095071881 184933654 /nfs/dbraw/zinc/93/36/54/184933654.db2.gz LDCZQDYLDUWBIE-NSHDSACASA-N 1 0 267.398 2.500 10 0 CEAERO Brc1cccc(OC[C@H]2CCCC[NH2+]2)n1 ZINC000095092354 184942212 /nfs/dbraw/zinc/94/22/12/184942212.db2.gz LZYWSHLITAGHEH-SECBINFHSA-N 1 0 271.158 2.365 10 0 CEAERO COc1ccc(F)c(-n2cc(C[NH2+]C(C)(C)C)nn2)c1 ZINC000094857255 184883349 /nfs/dbraw/zinc/88/33/49/184883349.db2.gz YVYGLWDGQIZCGM-UHFFFAOYSA-N 1 0 278.331 2.303 10 0 CEAERO CC[C@]1(C(=O)NCc2sccc2C)CCC[NH2+]C1 ZINC000094876591 184885418 /nfs/dbraw/zinc/88/54/18/184885418.db2.gz NGBKGSJPUVAMIF-AWEZNQCLSA-N 1 0 266.410 2.453 10 0 CEAERO CCC[NH2+][C@@H]1CCN(Cc2cscc2C)C1=O ZINC000094881841 184886910 /nfs/dbraw/zinc/88/69/10/184886910.db2.gz YJMHJYXARXMKIV-GFCCVEGCSA-N 1 0 252.383 2.157 10 0 CEAERO c1nc2c(c(NCC[C@@H]3CC[NH2+]C3)n1)CCCCC2 ZINC000094888141 184888042 /nfs/dbraw/zinc/88/80/42/184888042.db2.gz QOQAJZBSGPHVDT-LBPRGKRZSA-N 1 0 260.385 2.157 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(NC(=O)N[C@@H]2CCOC2)cc1 ZINC000094890334 184888576 /nfs/dbraw/zinc/88/85/76/184888576.db2.gz XWMIRTZYGKSPJP-BXUZGUMPSA-N 1 0 277.368 2.268 10 0 CEAERO O=C(NC1CCCC1)N1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000094890539 184888657 /nfs/dbraw/zinc/88/86/57/184888657.db2.gz FXJOUBLXOHRQRJ-CQSZACIVSA-N 1 0 265.401 2.103 10 0 CEAERO Cc1cc(CNC(=O)[C@H]2CC23CC[NH2+]CC3)cc(C)c1F ZINC000094894763 184889745 /nfs/dbraw/zinc/88/97/45/184889745.db2.gz VANUOOYCVZSHNF-CQSZACIVSA-N 1 0 290.382 2.448 10 0 CEAERO CCC[NH2+][C@H](CC)[C@@H](C)c1nc(-c2ncc[nH]2)no1 ZINC000094940779 184898413 /nfs/dbraw/zinc/89/84/13/184898413.db2.gz QLXQUGCUJDRHNH-NXEZZACHSA-N 1 0 263.345 2.341 10 0 CEAERO C[C@H](CCCO)[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000094943888 184899307 /nfs/dbraw/zinc/89/93/07/184899307.db2.gz ANDKNLGPQRHCDW-ZWNOBZJWSA-N 1 0 291.313 2.489 10 0 CEAERO Cc1cc(F)ccc1CCNC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000094956000 184904092 /nfs/dbraw/zinc/90/40/92/184904092.db2.gz SEMHTXBDUJIQQI-LSDHHAIUSA-N 1 0 278.371 2.310 10 0 CEAERO C[C@@H]([NH2+]CCn1cncn1)c1ccc(Cl)s1 ZINC000167006631 533407730 /nfs/dbraw/zinc/40/77/30/533407730.db2.gz UOCBJOKQDOYIDN-MRVPVSSYSA-N 1 0 256.762 2.344 10 0 CEAERO Cn1nccc1C1CC[NH+](C[C@H](O)Cc2ccccc2)CC1 ZINC000195504613 130745230 /nfs/dbraw/zinc/74/52/30/130745230.db2.gz XXYBUDPXOQNCSN-QGZVFWFLSA-N 1 0 299.418 2.203 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC000247081718 131099973 /nfs/dbraw/zinc/09/99/73/131099973.db2.gz CZYPDUAQTVRFPF-IJLUTSLNSA-N 1 0 294.345 2.231 10 0 CEAERO C[S@@](=O)Cc1cccc(NC(=O)C2([NH3+])CCCCC2)c1 ZINC000262445037 131221309 /nfs/dbraw/zinc/22/13/09/131221309.db2.gz CDMQVGHSIWYYDS-HXUWFJFHSA-N 1 0 294.420 2.165 10 0 CEAERO C[C@H]([NH3+])c1cc(F)ccc1N1CCOC(C)(C)C1 ZINC000036232648 134813927 /nfs/dbraw/zinc/81/39/27/134813927.db2.gz GKGVWBWOOWGKFC-JTQLQIEISA-N 1 0 252.333 2.461 10 0 CEAERO Nc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000043567994 134905961 /nfs/dbraw/zinc/90/59/61/134905961.db2.gz LJDCNWKQYHJNHJ-UHFFFAOYSA-N 1 0 272.327 2.130 10 0 CEAERO COc1cc(N2CC[NH2+]C[C@@H]2C)c(OC)cc1Cl ZINC000083517934 135026859 /nfs/dbraw/zinc/02/68/59/135026859.db2.gz VIVDRCSDDFRPAT-VIFPVBQESA-N 1 0 270.760 2.155 10 0 CEAERO Cc1ccc2c(c1)CCCN2[C@@H](C)C[C@](C)(O)C[NH3+] ZINC000085303964 135035681 /nfs/dbraw/zinc/03/56/81/135035681.db2.gz MEBUIGKUMUQILF-BBRMVZONSA-N 1 0 262.397 2.236 10 0 CEAERO CC(C)(C[NH3+])CCCN1CC(=O)Nc2ccccc21 ZINC000087597211 135050679 /nfs/dbraw/zinc/05/06/79/135050679.db2.gz GUDWWRZJOTUGCC-UHFFFAOYSA-N 1 0 261.369 2.210 10 0 CEAERO CCC[NH2+]CCS(=O)(=O)N1c2ccccc2CC[C@@H]1C ZINC000088914920 135057629 /nfs/dbraw/zinc/05/76/29/135057629.db2.gz AZBQEADDJFIOKE-ZDUSSCGKSA-N 1 0 296.436 2.157 10 0 CEAERO COc1cc(N2CCC[C@H](C[NH2+]CC(C)C)C2)nc(C)n1 ZINC000090787320 135065058 /nfs/dbraw/zinc/06/50/58/135065058.db2.gz GIOJQITUVQEUCY-CQSZACIVSA-N 1 0 292.427 2.256 10 0 CEAERO CC[NH2+]C[C@H]1CCCN(c2cc(OCC)nc(C)n2)C1 ZINC000090788135 135065635 /nfs/dbraw/zinc/06/56/35/135065635.db2.gz ADMOBBOCZRBBQW-CYBMUJFWSA-N 1 0 278.400 2.010 10 0 CEAERO [NH3+]Cc1ccc(Cl)cc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905346 135065816 /nfs/dbraw/zinc/06/58/16/135065816.db2.gz WHZUJRDNMBXXMG-TXEJJXNPSA-N 1 0 252.745 2.166 10 0 CEAERO CN1CCN(CC[C@@H]2CSCC[NH2+]2)c2ccccc21 ZINC000091292323 135067668 /nfs/dbraw/zinc/06/76/68/135067668.db2.gz MVNPZCFPIWYPLC-CYBMUJFWSA-N 1 0 277.437 2.038 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(c2ccc(Cl)cc2N)C1 ZINC000091392290 135068405 /nfs/dbraw/zinc/06/84/05/135068405.db2.gz YZWPPIDXZCBYIK-LLVKDONJSA-N 1 0 253.777 2.453 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(c2nc(CO)cc3ccccc32)C1 ZINC000091392974 135068456 /nfs/dbraw/zinc/06/84/56/135068456.db2.gz PXORZUJUADNPOR-OAHLLOKOSA-N 1 0 285.391 2.258 10 0 CEAERO CC(C)[NH2+]Cc1cncc(N2C[C@H](C)C[C@H](C)C2)n1 ZINC000091418821 135069503 /nfs/dbraw/zinc/06/95/03/135069503.db2.gz WXZJKQFPNXTFMP-BETUJISGSA-N 1 0 262.401 2.457 10 0 CEAERO C[C@@H]1CCc2ccccc2N1C[C@@H]1Cc2nc[nH]c2C[NH2+]1 ZINC000092798442 135077335 /nfs/dbraw/zinc/07/73/35/135077335.db2.gz HFEBJQVEPKFDCH-OCCSQVGLSA-N 1 0 282.391 2.265 10 0 CEAERO CC(=O)c1ccc(N2CCC([NH+](C)C)CC2)cc1O ZINC000093669066 135081280 /nfs/dbraw/zinc/08/12/80/135081280.db2.gz YOIQRHAJSLOMMF-UHFFFAOYSA-N 1 0 262.353 2.125 10 0 CEAERO COC(=O)C(C)(C)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000093718107 135082087 /nfs/dbraw/zinc/08/20/87/135082087.db2.gz CZMWVNTYSMXILG-UHFFFAOYSA-N 1 0 294.370 2.147 10 0 CEAERO CC[C@@](C)([NH3+])CN1CCN(c2cccc(C)c2)CC1 ZINC000094239251 135084619 /nfs/dbraw/zinc/08/46/19/135084619.db2.gz ZROUZWRDSAFKOX-MRXNPFEDSA-N 1 0 261.413 2.244 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1c1ccc(C(=O)OC)c(F)c1F ZINC000094272044 135085209 /nfs/dbraw/zinc/08/52/09/135085209.db2.gz OVQSNIIAKVLZSH-SNVBAGLBSA-N 1 0 298.333 2.330 10 0 CEAERO Cc1c(Cl)ncnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094442681 135088529 /nfs/dbraw/zinc/08/85/29/135088529.db2.gz GPGSCNYVXTULJT-LLVKDONJSA-N 1 0 266.776 2.113 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]1)N[C@H]1CCCc2ccccc21 ZINC000042166314 394502741 /nfs/dbraw/zinc/50/27/41/394502741.db2.gz WYNCGNOKVQEUNZ-HIFRSBDPSA-N 1 0 258.365 2.322 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)/C=C\c1cccnc1 ZINC000255540170 394581759 /nfs/dbraw/zinc/58/17/59/394581759.db2.gz LVTDLZDHRAEDAC-XITLMJRVSA-N 1 0 287.407 2.331 10 0 CEAERO [NH3+][C@@H]1CC[C@H](C(=O)N[C@@H]2CCc3cc(F)ccc32)C1 ZINC000246544829 394517919 /nfs/dbraw/zinc/51/79/19/394517919.db2.gz SOFZAMILTUWACN-ZKYQVNSYSA-N 1 0 262.328 2.057 10 0 CEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCC3(CCC3)C2)C1 ZINC000246693823 394520387 /nfs/dbraw/zinc/52/03/87/394520387.db2.gz RNCPFSCGRFFATA-UONOGXRCSA-N 1 0 279.428 2.301 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCOc1cccc(F)c1 ZINC000247528878 394531879 /nfs/dbraw/zinc/53/18/79/394531879.db2.gz XHYXDBPGQVPPPX-ZFWWWQNUSA-N 1 0 278.371 2.373 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCCC[C@@H](C)C2)C1 ZINC000249419148 394554836 /nfs/dbraw/zinc/55/48/36/394554836.db2.gz HFQANORNPAHPJP-KGLIPLIRSA-N 1 0 267.417 2.302 10 0 CEAERO [NH3+][C@@H]1CC[C@H]2CN(c3cccc(C(F)(F)F)n3)C[C@H]12 ZINC000261660796 394604776 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c1ccc(CC[N@@H+]2CC[C@H](Oc3cccnc3)C2)nc1 ZINC000152220833 394990830 /nfs/dbraw/zinc/99/08/30/394990830.db2.gz WTEKWLSRJJWUTH-INIZCTEOSA-N 1 0 269.348 2.172 10 0 CEAERO CC(C)(C)OCC[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152315968 394993546 /nfs/dbraw/zinc/99/35/46/394993546.db2.gz ZYTYPJYTWAESHL-CQSZACIVSA-N 1 0 264.369 2.350 10 0 CEAERO CO[C@H]1C[C@@H](C(N)=O)[N@H+](Cc2c(C)ccc3ccccc32)C1 ZINC000344510618 395056143 /nfs/dbraw/zinc/05/61/43/395056143.db2.gz LHOGAGNFTZTQFJ-YOEHRIQHSA-N 1 0 298.386 2.223 10 0 CEAERO C[C@@H]1CN(C(=O)CCSc2ccccc2F)C[C@H]1[NH3+] ZINC000423939345 395030778 /nfs/dbraw/zinc/03/07/78/395030778.db2.gz AIXYVLMYQWEGSU-ZYHUDNBSSA-N 1 0 282.384 2.114 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CSC(F)(F)F ZINC000175006629 395130087 /nfs/dbraw/zinc/13/00/87/395130087.db2.gz OQCPTXDRYPEYLH-VHSXEESVSA-N 1 0 296.358 2.325 10 0 CEAERO CCO[C@H]1C[C@H]([N@H+](C)CCC(=O)OC)C12CCCC2 ZINC000178717222 395173921 /nfs/dbraw/zinc/17/39/21/395173921.db2.gz XYPGGIKWQKDZDV-STQMWFEESA-N 1 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CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)c2cccc(O)c2)C1 ZINC000192344583 153208001 /nfs/dbraw/zinc/20/80/01/153208001.db2.gz DFASUYHEWRLXDH-OCCSQVGLSA-N 1 0 291.395 2.237 10 0 CEAERO Cc1c[nH+]ccc1N1CCC(N(C)c2cccnn2)CC1 ZINC000192730384 153214983 /nfs/dbraw/zinc/21/49/83/153214983.db2.gz QICJXNHTMPPDRI-UHFFFAOYSA-N 1 0 283.379 2.285 10 0 CEAERO Cc1ccc(SCC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000195310284 153281615 /nfs/dbraw/zinc/28/16/15/153281615.db2.gz UOSLXMLPKDNEEX-CQSZACIVSA-N 1 0 290.432 2.394 10 0 CEAERO C/C(=C\C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000195190672 153283738 /nfs/dbraw/zinc/28/37/38/153283738.db2.gz KPFLVFGCYYPLRE-WCRPCQDQSA-N 1 0 270.376 2.397 10 0 CEAERO CC(=O)NCCC[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000195338809 153287137 /nfs/dbraw/zinc/28/71/37/153287137.db2.gz NUAZKEFDKUPFSK-ZDUSSCGKSA-N 1 0 281.425 2.157 10 0 CEAERO CCCc1nc(C)c(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000195332145 153287145 /nfs/dbraw/zinc/28/71/45/153287145.db2.gz RODCAKQBIBKSGP-LBPRGKRZSA-N 1 0 293.436 2.324 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@@H](O)C(F)(F)F)c1C ZINC000222632210 153315569 /nfs/dbraw/zinc/31/55/69/153315569.db2.gz NZTUGXPQQUTEAU-OIBJUYFYSA-N 1 0 279.306 2.094 10 0 CEAERO OCC[C@@H]1CC[N@H+](Cc2cccc3cccnc32)C1 ZINC000227567767 153346273 /nfs/dbraw/zinc/34/62/73/153346273.db2.gz OUGCQOYVMYZXBM-ZDUSSCGKSA-N 1 0 256.349 2.439 10 0 CEAERO COc1c(C[NH2+]C[C@H]2CCC[C@H]2C)c(C)nn1C ZINC000230663112 153397954 /nfs/dbraw/zinc/39/79/54/153397954.db2.gz OXRWCBCDAHZSKH-ZYHUDNBSSA-N 1 0 251.374 2.263 10 0 CEAERO COCc1ccsc1C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000245515228 153505973 /nfs/dbraw/zinc/50/59/73/153505973.db2.gz DGFANCSGJBYFOK-AAEUAGOBSA-N 1 0 294.420 2.203 10 0 CEAERO CC1(C)CCC(CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000261571387 153769547 /nfs/dbraw/zinc/76/95/47/153769547.db2.gz LAJBKZSSEWOOLL-CHWSQXEVSA-N 1 0 252.402 2.446 10 0 CEAERO C[C@@H](Nc1nccnc1C(F)F)[C@@H]1CCC[NH2+]C1 ZINC000261577752 153773160 /nfs/dbraw/zinc/77/31/60/153773160.db2.gz OOOXPVHIOIWYLA-RKDXNWHRSA-N 1 0 256.300 2.214 10 0 CEAERO COc1cccc(Cl)c1CNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000261752203 153828579 /nfs/dbraw/zinc/82/85/79/153828579.db2.gz MYTNFRHYMBOKMC-LLVKDONJSA-N 1 0 296.798 2.497 10 0 CEAERO CO[C@]1(C)C[C@@H](N(C)C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1(C)C ZINC000261801627 153843759 /nfs/dbraw/zinc/84/37/59/153843759.db2.gz RBFJYPFEZKWODU-BRXULGCHSA-N 1 0 282.428 2.023 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000261878514 153864979 /nfs/dbraw/zinc/86/49/79/153864979.db2.gz YSWHZXQIFCEDQQ-YNEHKIRRSA-N 1 0 293.436 2.367 10 0 CEAERO C[C@H]1CCN(C(=O)c2csc(C3CC3)n2)[C@H](C[NH3+])C1 ZINC000261922812 153876709 /nfs/dbraw/zinc/87/67/09/153876709.db2.gz YZLLPRMIIYVOOR-ONGXEEELSA-N 1 0 279.409 2.220 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](c2nc(-c3ccc4c(c3)CCO4)no2)C1 ZINC000261949827 153882947 /nfs/dbraw/zinc/88/29/47/153882947.db2.gz FTOAMGISJVUSHD-VXGBXAGGSA-N 1 0 271.320 2.266 10 0 CEAERO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000262575975 153962950 /nfs/dbraw/zinc/96/29/50/153962950.db2.gz JMDSLBNBAGZQPH-BPUTZDHNSA-N 1 0 272.392 2.214 10 0 CEAERO COCCN(C)CC[NH2+][C@H](c1ccc(OC)cc1)C1CC1 ZINC000061376953 292427776 /nfs/dbraw/zinc/42/77/76/292427776.db2.gz CWFCWXSTERNJDV-KRWDZBQOSA-N 1 0 292.423 2.314 10 0 CEAERO C[NH2+]CCC1CCN(c2ccc(C(F)(F)F)nn2)CC1 ZINC000164661336 162337480 /nfs/dbraw/zinc/33/74/80/162337480.db2.gz LKDXQRVDWNMOPN-UHFFFAOYSA-N 1 0 288.317 2.321 10 0 CEAERO CCC[C@H]([NH3+])C(=O)Nc1ccc(N2CCCCC2)cn1 ZINC000165327423 162344676 /nfs/dbraw/zinc/34/46/76/162344676.db2.gz QJQGKKMXAYVODX-ZDUSSCGKSA-N 1 0 276.384 2.138 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@@H]1Nc1ccc(C(F)(F)F)nn1 ZINC000167120714 162356787 /nfs/dbraw/zinc/35/67/87/162356787.db2.gz NBQZJCCSZDRMNI-BDAKNGLRSA-N 1 0 274.290 2.425 10 0 CEAERO COc1c(C[NH2+]C[C@@H]2CCCCS2)c(C)nn1C ZINC000168139909 162363641 /nfs/dbraw/zinc/36/36/41/162363641.db2.gz STEFIZPBDDZNQI-NSHDSACASA-N 1 0 269.414 2.112 10 0 CEAERO CCOc1c(F)cccc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000173046104 162424137 /nfs/dbraw/zinc/42/41/37/162424137.db2.gz UIGWDHRLDXJGFQ-NSHDSACASA-N 1 0 280.343 2.001 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2ccoc2)C1 ZINC000247053828 162478921 /nfs/dbraw/zinc/47/89/21/162478921.db2.gz IJVXVUHOWPLVRI-TZMCWYRMSA-N 1 0 264.369 2.057 10 0 CEAERO C[C@H](Cc1ccccc1F)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172349722 165059472 /nfs/dbraw/zinc/05/94/72/165059472.db2.gz GEVOMBPYOLYYPS-UKRRQHHQSA-N 1 0 290.382 2.311 10 0 CEAERO c1ccc2c(c1)CCC[C@@H]2[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173932004 165092429 /nfs/dbraw/zinc/09/24/29/165092429.db2.gz GJCZWSUCAAITIN-WMZOPIPTSA-N 1 0 286.419 2.471 10 0 CEAERO COc1csc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000176835505 165178838 /nfs/dbraw/zinc/17/88/38/165178838.db2.gz DKHZXSZQLXIFHV-GHMZBOCLSA-N 1 0 280.393 2.065 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(OC)cs1 ZINC000177004779 165182879 /nfs/dbraw/zinc/18/28/79/165182879.db2.gz MKDXVHAQYZRVSR-NSHDSACASA-N 1 0 282.409 2.313 10 0 CEAERO Cc1ncsc1CCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177761028 165205732 /nfs/dbraw/zinc/20/57/32/165205732.db2.gz FMJDDPIDLPOYMI-CYBMUJFWSA-N 1 0 265.426 2.164 10 0 CEAERO O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000178744397 165257613 /nfs/dbraw/zinc/25/76/13/165257613.db2.gz ZJXOOUMEYHVLPH-MELADBBJSA-N 1 0 278.783 2.312 10 0 CEAERO CCCn1nc(C)c(CN2CC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000179545660 165283640 /nfs/dbraw/zinc/28/36/40/165283640.db2.gz PRZRRSVNVBIKMQ-OAHLLOKOSA-N 1 0 276.428 2.190 10 0 CEAERO Cc1ccc(F)cc1CN1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000180098982 165297347 /nfs/dbraw/zinc/29/73/47/165297347.db2.gz WALBEADZHUGNLF-ZIAGYGMSSA-N 1 0 280.387 2.021 10 0 CEAERO [NH3+]C[C@@H](c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000008031112 170315457 /nfs/dbraw/zinc/31/54/57/170315457.db2.gz RFWAODRUGBXLAY-AWEZNQCLSA-N 1 0 261.346 2.160 10 0 CEAERO C[C@@H]1CC2(CCC2)C[N@@H+]1[C@H]1CCN(C2CCOCC2)C1=O ZINC000334551772 287235553 /nfs/dbraw/zinc/23/55/53/287235553.db2.gz YRJWWEODYIQSGZ-HIFRSBDPSA-N 1 0 292.423 2.031 10 0 CEAERO CC(C)[NH+](CCNc1cc(C(N)=S)ccn1)C(C)C ZINC000019422402 170793106 /nfs/dbraw/zinc/79/31/06/170793106.db2.gz KHRTUBSFGCFFSU-UHFFFAOYSA-N 1 0 280.441 2.247 10 0 CEAERO C[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)C[NH2+]1 ZINC000019470979 170804613 /nfs/dbraw/zinc/80/46/13/170804613.db2.gz VRXZDYKPCWUKOE-RKQHYHRCSA-N 1 0 252.402 2.315 10 0 CEAERO COc1cc(Cl)c(C)cc1NC(=O)CSCC[NH3+] ZINC000019687366 170840453 /nfs/dbraw/zinc/84/04/53/170840453.db2.gz DVHICKSHAMHUAQ-UHFFFAOYSA-N 1 0 288.800 2.287 10 0 CEAERO CC(C)c1ccc(CCc2nnc(CC[NH3+])o2)cc1 ZINC000019733336 170846951 /nfs/dbraw/zinc/84/69/51/170846951.db2.gz FPNADVJLXLTVAL-UHFFFAOYSA-N 1 0 259.353 2.479 10 0 CEAERO CCCCc1ccc([C@@H](C)[NH2+]CCNS(C)(=O)=O)cc1 ZINC000020203789 171068259 /nfs/dbraw/zinc/06/82/59/171068259.db2.gz SSLDCGTYGSGXJX-CYBMUJFWSA-N 1 0 298.452 2.229 10 0 CEAERO COc1cc(C[NH2+][C@@H](C)[C@@H]2CCCO2)ccc1O ZINC000020205284 171070436 /nfs/dbraw/zinc/07/04/36/171070436.db2.gz BRILEKGHWSUNSH-GWCFXTLKSA-N 1 0 251.326 2.058 10 0 CEAERO COc1ccccc1OCC(=O)Nc1ccc(C[NH3+])cc1 ZINC000020224351 171086896 /nfs/dbraw/zinc/08/68/96/171086896.db2.gz BKCNPTNSISTKEH-UHFFFAOYSA-N 1 0 286.331 2.171 10 0 CEAERO CCOc1ccc(N(CC[NH3+])C(=O)C(C)C)cc1 ZINC000020236196 171096378 /nfs/dbraw/zinc/09/63/78/171096378.db2.gz JJVQEJJBUNPFPA-UHFFFAOYSA-N 1 0 250.342 2.033 10 0 CEAERO CN(Cc1cccc(F)c1)[C@@H](C[NH3+])c1ccccn1 ZINC000020266506 171123628 /nfs/dbraw/zinc/12/36/28/171123628.db2.gz WVBHPSJTJNRXEK-HNNXBMFYSA-N 1 0 259.328 2.353 10 0 CEAERO [NH3+]CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000020309422 171143422 /nfs/dbraw/zinc/14/34/22/171143422.db2.gz XIMZLOPMCSSEDN-UHFFFAOYSA-N 1 0 252.623 2.256 10 0 CEAERO c1ccc2sc(C[NH2+][C@H]3CN4CCC3CC4)nc2c1 ZINC000020309898 171144022 /nfs/dbraw/zinc/14/40/22/171144022.db2.gz CBZBXAKQFTZIEN-ZDUSSCGKSA-N 1 0 273.405 2.480 10 0 CEAERO CCCCNC(=O)[C@H](C)Oc1ccc([C@@H](C)[NH3+])cc1OC ZINC000020419847 171184933 /nfs/dbraw/zinc/18/49/33/171184933.db2.gz NWMQSZUZQKYGHC-NEPJUHHUSA-N 1 0 294.395 2.399 10 0 CEAERO COc1ccccc1[C@@H]([NH3+])c1ccc2c(c1)CC(=O)N2C ZINC000020431204 171196122 /nfs/dbraw/zinc/19/61/22/171196122.db2.gz DMHJORPEEWTPHY-KRWDZBQOSA-N 1 0 282.343 2.262 10 0 CEAERO CC[NH2+]Cc1cccc(OC)c1OCC(=O)NC(C)(C)C ZINC000020872649 171277162 /nfs/dbraw/zinc/27/71/62/171277162.db2.gz VFCCZTJQBPSHDS-UHFFFAOYSA-N 1 0 294.395 2.098 10 0 CEAERO C[C@H](c1ccc(Br)s1)N1CC[NH2+]CC1 ZINC000022129112 171354631 /nfs/dbraw/zinc/35/46/31/171354631.db2.gz HBJAFVAGLTYKES-MRVPVSSYSA-N 1 0 275.215 2.477 10 0 CEAERO C[C@@H]([NH3+])CCc1ccc(OCC(=O)NC(C)(C)C)cc1 ZINC000022170150 171367726 /nfs/dbraw/zinc/36/77/26/171367726.db2.gz GSENWELSDZPNPD-GFCCVEGCSA-N 1 0 278.396 2.260 10 0 CEAERO CCN(CC)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000022171549 171368091 /nfs/dbraw/zinc/36/80/91/171368091.db2.gz JYWMQOXRXCASLJ-QMMMGPOBSA-N 1 0 261.163 2.384 10 0 CEAERO COc1ccc(NC(=O)C[NH+]2C[C@H](C)C[C@@H](C)C2)c(N)c1 ZINC000022212666 171374617 /nfs/dbraw/zinc/37/46/17/171374617.db2.gz UDPSHZULUILXHQ-VXGBXAGGSA-N 1 0 291.395 2.194 10 0 CEAERO C[NH+](C)CCCC(=O)Nc1nc2ccc(N)cc2s1 ZINC000022214122 171375112 /nfs/dbraw/zinc/37/51/12/171375112.db2.gz OXCAHMSLXWWWER-UHFFFAOYSA-N 1 0 278.381 2.159 10 0 CEAERO [NH3+]Cc1ccc(NC(=O)Cn2cnc3ccccc32)cc1 ZINC000022217324 171376384 /nfs/dbraw/zinc/37/63/84/171376384.db2.gz QFSFZMHUUUYPGJ-UHFFFAOYSA-N 1 0 280.331 2.134 10 0 CEAERO [NH3+]C[C@@H](O)c1cccc(OCCc2ccccc2)c1 ZINC000032110267 171702666 /nfs/dbraw/zinc/70/26/66/171702666.db2.gz GEDHJNOKPWLEIU-MRXNPFEDSA-N 1 0 257.333 2.300 10 0 CEAERO O[C@H](C[NH2+]C1CC1)COc1ccc2c(c1)CCCC2 ZINC000032111932 171705110 /nfs/dbraw/zinc/70/51/10/171705110.db2.gz UVTWKWATPRQSTR-OAHLLOKOSA-N 1 0 261.365 2.057 10 0 CEAERO Cc1nn(C)c(N2CCC[C@@H](C)C2)c1C[NH2+]C(C)C ZINC000034823319 171877310 /nfs/dbraw/zinc/87/73/10/171877310.db2.gz WICOPROEUYREGY-GFCCVEGCSA-N 1 0 264.417 2.463 10 0 CEAERO O=C(C[NH2+]Cc1ccncc1)Nc1c(F)cccc1F ZINC000035159743 172017722 /nfs/dbraw/zinc/01/77/22/172017722.db2.gz YKLHBEDJKAPFJW-UHFFFAOYSA-N 1 0 277.274 2.088 10 0 CEAERO C[NH+](C)CC(C)(C)CNC(=O)c1c[nH]c2ccccc12 ZINC000035206705 172051019 /nfs/dbraw/zinc/05/10/19/172051019.db2.gz VPRAFPRTDSSRBN-UHFFFAOYSA-N 1 0 273.380 2.486 10 0 CEAERO COC(=O)c1c2c(sc1NC(=O)C(C)(C)C)C[NH2+]CC2 ZINC000035216882 172057617 /nfs/dbraw/zinc/05/76/17/172057617.db2.gz NHNKKOJIFSDXHN-UHFFFAOYSA-N 1 0 296.392 2.165 10 0 CEAERO C[C@H](NC(=O)[C@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000035231166 172071534 /nfs/dbraw/zinc/07/15/34/172071534.db2.gz YFSJALANHHWGCR-JOYOIKCWSA-N 1 0 297.196 2.378 10 0 CEAERO O=C(Nc1cc(Cl)ccc1F)C1CC[NH2+]CC1 ZINC000035284665 172102791 /nfs/dbraw/zinc/10/27/91/172102791.db2.gz ZQDUMSDNWFAXTH-UHFFFAOYSA-N 1 0 256.708 2.417 10 0 CEAERO CC(C)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000035295561 172107054 /nfs/dbraw/zinc/10/70/54/172107054.db2.gz GQLVNALNDOOKAQ-LLVKDONJSA-N 1 0 257.330 2.042 10 0 CEAERO [NH3+][C@H](Cc1ncc[nH]1)c1ccc(Br)o1 ZINC000035382275 172164364 /nfs/dbraw/zinc/16/43/64/172164364.db2.gz NIEIEDJILUPLJD-ZCFIWIBFSA-N 1 0 256.103 2.008 10 0 CEAERO C[NH2+]Cc1c(N2CCCC[C@@H]2C)nc2sccn12 ZINC000035429603 172198352 /nfs/dbraw/zinc/19/83/52/172198352.db2.gz TXOIFLHRIHZVDD-JTQLQIEISA-N 1 0 264.398 2.494 10 0 CEAERO CC(C)(C)OC(=O)N1C[C@H]([NH3+])[C@H](c2cccc(F)c2)C1 ZINC000035571749 172267253 /nfs/dbraw/zinc/26/72/53/172267253.db2.gz PODWONBIEUIEAX-STQMWFEESA-N 1 0 280.343 2.487 10 0 CEAERO C[C@H](NC(=O)c1ccccc1F)[C@H]1CCCC[NH2+]1 ZINC000035690620 172358836 /nfs/dbraw/zinc/35/88/36/172358836.db2.gz MFPJYHCBTWAHNP-GXFFZTMASA-N 1 0 250.317 2.086 10 0 CEAERO COC(=O)C[C@H](C)[NH2+]CCCN(C)c1ccccc1 ZINC000035747913 172395741 /nfs/dbraw/zinc/39/57/41/172395741.db2.gz VZZJAODEVNJHLG-ZDUSSCGKSA-N 1 0 264.369 2.054 10 0 CEAERO C[NH2+][C@H]1C[C@@H](C)S(=O)(=O)c2c(Cl)cccc21 ZINC000035761322 172399069 /nfs/dbraw/zinc/39/90/69/172399069.db2.gz KQBXHCFEBUBTIL-XCBNKYQSSA-N 1 0 259.758 2.166 10 0 CEAERO C[NH2+][C@@H]1CCCS(=O)(=O)c2ccc(Cl)cc21 ZINC000035760873 172399620 /nfs/dbraw/zinc/39/96/20/172399620.db2.gz HAHKDNXZSYFBTG-SNVBAGLBSA-N 1 0 259.758 2.168 10 0 CEAERO CC[NH+](CC)CCNc1ncc(N)cc1Br ZINC000036244932 172544668 /nfs/dbraw/zinc/54/46/68/172544668.db2.gz GVDRSDLNXIOKMZ-UHFFFAOYSA-N 1 0 287.205 2.180 10 0 CEAERO CC(C)(C)SCC(=O)N1C[C@@H]2C[C@H]([NH3+])CC[C@@H]2C1 ZINC000036262058 172555440 /nfs/dbraw/zinc/55/54/40/172555440.db2.gz QOANPXQQAFYMFS-GRYCIOLGSA-N 1 0 270.442 2.104 10 0 CEAERO CC[C@@H](C)C(=O)N(CC(F)(F)F)C1CC[NH2+]CC1 ZINC000036286446 172582350 /nfs/dbraw/zinc/58/23/50/172582350.db2.gz QIPJERRNMQSGJJ-SECBINFHSA-N 1 0 266.307 2.175 10 0 CEAERO O=C([C@@H]1CCC[NH2+]C1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000036809963 172726165 /nfs/dbraw/zinc/72/61/65/172726165.db2.gz NTQURPRZCRFUNT-MJBXVCDLSA-N 1 0 250.386 2.025 10 0 CEAERO CCC[NH2+]C[C@@H](O)CSc1ccc(OC)cc1 ZINC000036951377 172824941 /nfs/dbraw/zinc/82/49/41/172824941.db2.gz OAEBOQDVZWJWJP-LLVKDONJSA-N 1 0 255.383 2.148 10 0 CEAERO Cc1cnn(C)c1CN[C@H](C[NH+](C)C)c1ccccc1 ZINC000285565906 196329720 /nfs/dbraw/zinc/32/97/20/196329720.db2.gz VSZWKBCHEVXHLR-OAHLLOKOSA-N 1 0 272.396 2.121 10 0 CEAERO CC(C)=CC[N@H+]1CCC[C@@](O)(c2cn(C(C)C)nn2)C1 ZINC000285614915 196344660 /nfs/dbraw/zinc/34/46/60/196344660.db2.gz VPEMHXAXUVYTHH-HNNXBMFYSA-N 1 0 278.400 2.109 10 0 CEAERO C[N@H+](CCCOc1cccc(N)c1)[C@H]1CCSC1 ZINC000037174105 173008464 /nfs/dbraw/zinc/00/84/64/173008464.db2.gz GZJPYOGXXRTDGN-ZDUSSCGKSA-N 1 0 266.410 2.475 10 0 CEAERO [NH3+]CC[C@H](OCCCc1ccncc1)C(F)(F)F ZINC000037179489 173012661 /nfs/dbraw/zinc/01/26/61/173012661.db2.gz GBCPONNLLHGLNF-NSHDSACASA-N 1 0 262.275 2.311 10 0 CEAERO O=S1(=O)CC[C@H]([NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000037188036 173018496 /nfs/dbraw/zinc/01/84/96/173018496.db2.gz JWMQZTNOUUXCOA-UONOGXRCSA-N 1 0 283.368 2.054 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](c2nc3cc(F)ccc3s2)C1 ZINC000037205134 173027572 /nfs/dbraw/zinc/02/75/72/173027572.db2.gz PWPGGJIZUWAGER-WPRPVWTQSA-N 1 0 252.314 2.485 10 0 CEAERO CN([C@@H](C[NH3+])c1cc(F)ccc1F)[C@@H]1CCSC1 ZINC000037233643 173051920 /nfs/dbraw/zinc/05/19/20/173051920.db2.gz NUAYQQSJLGJUQD-MFKMUULPSA-N 1 0 272.364 2.402 10 0 CEAERO CC[C@H]([NH2+][C@H](C)C(N)=O)c1cccc(Br)c1 ZINC000037261420 173070803 /nfs/dbraw/zinc/07/08/03/173070803.db2.gz RMFQZYFQZZTOHW-KCJUWKMLSA-N 1 0 285.185 2.364 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CSCc2ccccc21)C(=O)N(C)C ZINC000037268222 173078744 /nfs/dbraw/zinc/07/87/44/173078744.db2.gz PDSRXMSPXRPSND-ZWNOBZJWSA-N 1 0 264.394 2.041 10 0 CEAERO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc(C(N)=O)cc1N ZINC000037272630 173084282 /nfs/dbraw/zinc/08/42/82/173084282.db2.gz QDOPCUXYVVEHPV-QWRGUYRKSA-N 1 0 261.369 2.131 10 0 CEAERO COC(=O)CCC[NH2+]CCCN(C)c1ccccc1 ZINC000037286481 173092458 /nfs/dbraw/zinc/09/24/58/173092458.db2.gz YMIWNPTYPRMFKR-UHFFFAOYSA-N 1 0 264.369 2.056 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](c2nc3ccccc3n2C2CC2)C1 ZINC000037323689 173124488 /nfs/dbraw/zinc/12/44/88/173124488.db2.gz YWKGLTGAOPARSE-DGCLKSJQSA-N 1 0 257.337 2.421 10 0 CEAERO O[C@@H](C[NH2+]C1CC1)CSc1ccc(F)c(F)c1 ZINC000037380888 173167037 /nfs/dbraw/zinc/16/70/37/173167037.db2.gz HNVHCRAUCCSKFQ-VIFPVBQESA-N 1 0 259.321 2.170 10 0 CEAERO O=C(C[NH2+]C1CCCC1)NCCc1ccc(F)cc1 ZINC000037386887 173170639 /nfs/dbraw/zinc/17/06/39/173170639.db2.gz KASBVNGGEMQIOR-UHFFFAOYSA-N 1 0 264.344 2.017 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)Nc1cc(C(=O)OC)ccc1Cl ZINC000037388699 173172385 /nfs/dbraw/zinc/17/23/85/173172385.db2.gz XQXPOSSGCWWGJO-VIFPVBQESA-N 1 0 298.770 2.453 10 0 CEAERO CC(C)[NH+](CCNCC(=O)OC(C)(C)C)C(C)C ZINC000037394232 173174555 /nfs/dbraw/zinc/17/45/55/173174555.db2.gz DQGKVEJQOUOZLT-UHFFFAOYSA-N 1 0 258.406 2.037 10 0 CEAERO COC(=O)CCC[NH2+]Cc1cc(C)ccc1OC ZINC000037395175 173175337 /nfs/dbraw/zinc/17/53/37/173175337.db2.gz HIWZTVBHNUFRNO-UHFFFAOYSA-N 1 0 251.326 2.046 10 0 CEAERO COC(=O)CCC[NH2+]Cc1ccc(Br)cc1 ZINC000037395167 173175520 /nfs/dbraw/zinc/17/55/20/173175520.db2.gz PONKWQMTLXDEQQ-UHFFFAOYSA-N 1 0 286.169 2.492 10 0 CEAERO COC(=O)CCC[NH2+][C@H](C)c1nc(C)sc1C ZINC000037415854 173192480 /nfs/dbraw/zinc/19/24/80/173192480.db2.gz FQXDJCHVTAMKJV-MRVPVSSYSA-N 1 0 256.371 2.364 10 0 CEAERO COC(=O)CCC[NH2+][C@H](C)Cc1ccccc1OC ZINC000037416546 173194132 /nfs/dbraw/zinc/19/41/32/173194132.db2.gz BWKSHOCNQYZLLG-GFCCVEGCSA-N 1 0 265.353 2.169 10 0 CEAERO CC(C)n1c2ccc(F)cc2nc1[C@@H]([NH3+])[C@H](C)O ZINC000037439727 173209592 /nfs/dbraw/zinc/20/95/92/173209592.db2.gz MBFDIXYUBRSTNG-UFBFGSQYSA-N 1 0 251.305 2.137 10 0 CEAERO CCn1c2ccc(Cl)cc2nc1[C@H]([NH3+])[C@@H](C)O ZINC000037440418 173210142 /nfs/dbraw/zinc/21/01/42/173210142.db2.gz UAPLLFLHTXDLCX-RDDDGLTNSA-N 1 0 253.733 2.090 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](c2nc3c(cccc3Cl)[nH]2)C1 ZINC000037443849 173212435 /nfs/dbraw/zinc/21/24/35/173212435.db2.gz CCQIBJVIMAXOIU-XVKPBYJWSA-N 1 0 251.717 2.266 10 0 CEAERO C[NH2+]CC(=O)N(Cc1ccco1)Cc1cccs1 ZINC000037495852 173234742 /nfs/dbraw/zinc/23/47/42/173234742.db2.gz RCSQZMYWPUSKPC-UHFFFAOYSA-N 1 0 264.350 2.089 10 0 CEAERO CC(C)[NH2+]CC(=O)N(Cc1ccco1)CC(F)(F)F ZINC000037495731 173234904 /nfs/dbraw/zinc/23/49/04/173234904.db2.gz RKOOOVJZFZBDBB-UHFFFAOYSA-N 1 0 278.274 2.169 10 0 CEAERO CCCN(C(=O)[C@H]1C[C@H]2CC[C@@H]1C2)C1CC[NH2+]CC1 ZINC000037537542 173256961 /nfs/dbraw/zinc/25/69/61/173256961.db2.gz QTNMRBHMUPWMLA-GUTXKFCHSA-N 1 0 264.413 2.413 10 0 CEAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC000037740240 173660514 /nfs/dbraw/zinc/66/05/14/173660514.db2.gz HNYIHTYOLMODIM-FRRDWIJNSA-N 1 0 261.431 2.081 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccc(OCCCOC)c(OC)c1 ZINC000037754329 173677994 /nfs/dbraw/zinc/67/79/94/173677994.db2.gz MYDZXFZTYKCULN-CYBMUJFWSA-N 1 0 267.369 2.390 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)N(Cc1ccccn1)C(C)C ZINC000037817150 173767024 /nfs/dbraw/zinc/76/70/24/173767024.db2.gz IXMVBKSGZSTDMX-CYBMUJFWSA-N 1 0 263.385 2.207 10 0 CEAERO FC(F)n1ccnc1C[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000038009924 173975747 /nfs/dbraw/zinc/97/57/47/173975747.db2.gz GTMYVGDHRGJOFO-LLVKDONJSA-N 1 0 279.290 2.372 10 0 CEAERO C[C@H](CNC(=O)c1cc(F)ccc1N)[NH+]1CCCCC1 ZINC000038029415 174020647 /nfs/dbraw/zinc/02/06/47/174020647.db2.gz QJMJFBBVLQBYCT-LLVKDONJSA-N 1 0 279.359 2.012 10 0 CEAERO CCC[C@@H](C)NC(=O)[C@H](C)N(CC[NH3+])Cc1ccccc1 ZINC000038033206 174030887 /nfs/dbraw/zinc/03/08/87/174030887.db2.gz DZFQMNJKTKUJFT-CABCVRRESA-N 1 0 291.439 2.141 10 0 CEAERO Clc1cc2c(cc1NC1CC[NH2+]CC1)OCO2 ZINC000038041015 174041289 /nfs/dbraw/zinc/04/12/89/174041289.db2.gz MZYQHGQDQMEYPE-UHFFFAOYSA-N 1 0 254.717 2.233 10 0 CEAERO Cc1nc2sccn2c1C[NH2+]C[C@H]1CCCOC1 ZINC000038044851 174052533 /nfs/dbraw/zinc/05/25/33/174052533.db2.gz ZRWKNXRBRABALF-LLVKDONJSA-N 1 0 265.382 2.220 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)c1c(F)cccc1Cl ZINC000038049575 174060361 /nfs/dbraw/zinc/06/03/61/174060361.db2.gz UTERPJCIMYXPID-QWRGUYRKSA-N 1 0 270.735 2.479 10 0 CEAERO Cc1cccc(OCCC(=O)N[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000038049554 174060508 /nfs/dbraw/zinc/06/05/08/174060508.db2.gz RBOJREFTVLRSCL-LSDHHAIUSA-N 1 0 276.380 2.150 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)COc1ccc(Cl)cc1 ZINC000038049729 174060984 /nfs/dbraw/zinc/06/09/84/174060984.db2.gz RPDIDKSCNIEKCX-STQMWFEESA-N 1 0 282.771 2.105 10 0 CEAERO COc1nc2sccn2c1C[NH2+]CC[C@H]1CCCO1 ZINC000038054767 174066351 /nfs/dbraw/zinc/06/63/51/174066351.db2.gz IQGBFECTRQLNMJ-SNVBAGLBSA-N 1 0 281.381 2.063 10 0 CEAERO COc1nc2sccn2c1C[NH2+]CC[C@@H]1CCCO1 ZINC000038054766 174066535 /nfs/dbraw/zinc/06/65/35/174066535.db2.gz IQGBFECTRQLNMJ-JTQLQIEISA-N 1 0 281.381 2.063 10 0 CEAERO C[C@@H](C[NH2+]Cc1cc2c(c(Cl)c1)OCO2)N(C)C ZINC000038087925 174100843 /nfs/dbraw/zinc/10/08/43/174100843.db2.gz BKLAKLNUYHALIQ-VIFPVBQESA-N 1 0 270.760 2.108 10 0 CEAERO C[C@H](Cc1ccco1)[NH2+]Cc1ccccc1C(N)=O ZINC000038093046 174106757 /nfs/dbraw/zinc/10/67/57/174106757.db2.gz AOEMVUULZHUCCF-LLVKDONJSA-N 1 0 258.321 2.099 10 0 CEAERO C[C@@H]([NH2+][C@@H](C)Cc1ccco1)C(=O)N1CCCCC1 ZINC000038092873 174106765 /nfs/dbraw/zinc/10/67/65/174106765.db2.gz YAXXWDBAQNSJTL-QWHCGFSZSA-N 1 0 264.369 2.201 10 0 CEAERO COc1ccccc1[C@H]1C[NH2+]C[C@@H]1NC(=O)OC(C)(C)C ZINC000038880122 174158793 /nfs/dbraw/zinc/15/87/93/174158793.db2.gz AZGMOUYTWMSTRT-OLZOCXBDSA-N 1 0 292.379 2.275 10 0 CEAERO CC(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000040176562 174201829 /nfs/dbraw/zinc/20/18/29/174201829.db2.gz OSEIZZFYTLJRFO-ZSLBOAEBSA-N 1 0 252.402 2.314 10 0 CEAERO CC[C@H](C)NC(=O)C[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000040491150 174292642 /nfs/dbraw/zinc/29/26/42/174292642.db2.gz AVFFMPPZIVWXLN-RYUDHWBXSA-N 1 0 294.395 2.269 10 0 CEAERO O=C([C@@H]1CCCC[NH2+]1)N(Cc1ccsc1)C1CC1 ZINC000040492062 174292755 /nfs/dbraw/zinc/29/27/55/174292755.db2.gz JOCKGXLMCMSYON-ZDUSSCGKSA-N 1 0 264.394 2.381 10 0 CEAERO COc1ccccc1OC[C@H](O)C[NH2+]CC(C)(C)C ZINC000040493198 174293066 /nfs/dbraw/zinc/29/30/66/174293066.db2.gz UWONMKFOUKBYGX-GFCCVEGCSA-N 1 0 267.369 2.071 10 0 CEAERO CCCO[C@@H]1CCCN(C(=O)C2([NH3+])CCCCC2)C1 ZINC000040501407 174297660 /nfs/dbraw/zinc/29/76/60/174297660.db2.gz CSBZWGAEHHUFHO-CYBMUJFWSA-N 1 0 268.401 2.066 10 0 CEAERO CCCO[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000040501379 174297712 /nfs/dbraw/zinc/29/77/12/174297712.db2.gz BRIHAFYNJOALRS-VGWMRTNUSA-N 1 0 294.439 2.325 10 0 CEAERO CCN1CCC[C@@H]([NH2+]Cc2cccc3c2OCCCO3)C1 ZINC000040502664 174299015 /nfs/dbraw/zinc/29/90/15/174299015.db2.gz ORZQUVYMVJYXTA-OAHLLOKOSA-N 1 0 290.407 2.422 10 0 CEAERO COC(=O)[C@@H](C)C[NH2+][C@@H](C)c1sc(C)nc1C ZINC000040518635 174307742 /nfs/dbraw/zinc/30/77/42/174307742.db2.gz SJIZRMPGQFLILX-YUMQZZPRSA-N 1 0 256.371 2.220 10 0 CEAERO Cc1nc(C)c([C@H](C)NC(=O)[C@@](C)([NH3+])C2CC2)s1 ZINC000040519121 174308346 /nfs/dbraw/zinc/30/83/46/174308346.db2.gz OEQYYMLWZUAYLH-SDBXPKJASA-N 1 0 267.398 2.065 10 0 CEAERO Cc1cccc(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c1N ZINC000040620430 174355023 /nfs/dbraw/zinc/35/50/23/174355023.db2.gz AXYQXSJHHZQQAO-CYBMUJFWSA-N 1 0 275.396 2.037 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2ccc(C(C)(C)C)cc2)C1 ZINC000040629935 174358025 /nfs/dbraw/zinc/35/80/25/174358025.db2.gz JCLMZGGIDIIKRE-KBPBESRZSA-N 1 0 276.380 2.300 10 0 CEAERO CO[C@@H]1C[NH2+][C@@H](CN2CCC(Cc3ccccc3)CC2)C1 ZINC000040637448 174361591 /nfs/dbraw/zinc/36/15/91/174361591.db2.gz QOVUDVWCJGCRPM-MSOLQXFVSA-N 1 0 288.435 2.318 10 0 CEAERO COc1ccc(-c2c[nH]c([C@H]3C[C@@H](OC)C[NH2+]3)n2)cc1 ZINC000040637886 174361725 /nfs/dbraw/zinc/36/17/25/174361725.db2.gz ZZXGEUULKASWIA-CHWSQXEVSA-N 1 0 273.336 2.135 10 0 CEAERO COc1ccc(C)cc1-c1c[nH]c([C@@H]2C[C@H](OC)C[NH2+]2)n1 ZINC000040637855 174361740 /nfs/dbraw/zinc/36/17/40/174361740.db2.gz BAVDSWXRZJJUBU-AAEUAGOBSA-N 1 0 287.363 2.443 10 0 CEAERO CO[C@@H]1C[NH2+][C@@H](c2nc(-c3ccc(F)c(F)c3)c[nH]2)C1 ZINC000040637848 174361904 /nfs/dbraw/zinc/36/19/04/174361904.db2.gz CFBGBNZTGJBCMY-JOYOIKCWSA-N 1 0 279.290 2.404 10 0 CEAERO COc1ccccc1C[C@@H](C)[NH2+]CCc1nccn1C ZINC000040639205 174363965 /nfs/dbraw/zinc/36/39/65/174363965.db2.gz NMNUXLVVSWNPSJ-CYBMUJFWSA-N 1 0 273.380 2.192 10 0 CEAERO C[C@@H]1CCC[C@](CNc2ccnc(C(N)=O)c2)([NH+](C)C)C1 ZINC000040670009 174368631 /nfs/dbraw/zinc/36/86/31/174368631.db2.gz HTSBDGDQABQGLK-WBMJQRKESA-N 1 0 290.411 2.103 10 0 CEAERO CC(C)([NH2+]Cc1ccc(-c2ccc(F)cc2)o1)C(N)=O ZINC000040674326 174372766 /nfs/dbraw/zinc/37/27/66/174372766.db2.gz YZVOLEYGRUPSHA-UHFFFAOYSA-N 1 0 276.311 2.439 10 0 CEAERO CCOC1CCN([C@@H](C[NH3+])c2ccc(F)c(F)c2)CC1 ZINC000040689109 174375650 /nfs/dbraw/zinc/37/56/50/174375650.db2.gz GAYXCGRGZCZRNP-HNNXBMFYSA-N 1 0 284.350 2.466 10 0 CEAERO CC(C)[C@H](C(=O)[O-])[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040694149 174377769 /nfs/dbraw/zinc/37/77/69/174377769.db2.gz WYYSJZRYABVVIR-CQSZACIVSA-N 1 0 268.401 2.046 10 0 CEAERO CCCn1c2c(cccc2Cl)nc1[C@H]([NH3+])CCO ZINC000040710380 174380722 /nfs/dbraw/zinc/38/07/22/174380722.db2.gz BCHOVRDSOCTOJH-SNVBAGLBSA-N 1 0 267.760 2.482 10 0 CEAERO CC(C)(C)NNc1[nH+]cnc(NCc2ccccc2)c1N ZINC000040709343 174380742 /nfs/dbraw/zinc/38/07/42/174380742.db2.gz YPPDQZZOVXWGQK-UHFFFAOYSA-N 1 0 286.383 2.386 10 0 CEAERO CC[NH+](CC)CCOc1ncc(Br)cc1N ZINC000040713998 174382050 /nfs/dbraw/zinc/38/20/50/174382050.db2.gz CTHDVFVWBNFFSJ-UHFFFAOYSA-N 1 0 288.189 2.147 10 0 CEAERO CC(C)COc1nc(N[C@@H]2CCC[N@H+](C)C2)ccc1N ZINC000040715766 174382606 /nfs/dbraw/zinc/38/26/06/174382606.db2.gz WUGLACWUJVVFKU-GFCCVEGCSA-N 1 0 278.400 2.205 10 0 CEAERO C[N@@H+]1CCC[C@@H](Nc2ccc(N)c3cccnc23)C1 ZINC000040715783 174382823 /nfs/dbraw/zinc/38/28/23/174382823.db2.gz BGFYSYKQOFYIPJ-LLVKDONJSA-N 1 0 256.353 2.323 10 0 CEAERO COc1ccc(NC(=O)CCC[N@@H+]2CC[C@@H](C)C2)c(N)c1 ZINC000040716834 174384035 /nfs/dbraw/zinc/38/40/35/174384035.db2.gz GPGDPZRSMLKFCX-GFCCVEGCSA-N 1 0 291.395 2.338 10 0 CEAERO Cc1nn(CCC(=O)Nc2ccccc2C[NH3+])c(C)c1C ZINC000040728961 174388306 /nfs/dbraw/zinc/38/83/06/174388306.db2.gz CUJGKXUUFBAVJJ-UHFFFAOYSA-N 1 0 286.379 2.296 10 0 CEAERO CN(c1nc2ccccc2[nH]1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747357 174392954 /nfs/dbraw/zinc/39/29/54/174392954.db2.gz HCRHMTGNBXXNKC-FOSCPWQOSA-N 1 0 256.353 2.282 10 0 CEAERO Cc1cc(C)cc(C(=O)N2[C@@H]3CC[C@H]2CC([NH3+])C3)c1 ZINC000040749561 174394432 /nfs/dbraw/zinc/39/44/32/174394432.db2.gz LWYIYKLWNSLDEK-GOOCMWNKSA-N 1 0 258.365 2.398 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(Cl)nc1 ZINC000040750164 174394970 /nfs/dbraw/zinc/39/49/70/174394970.db2.gz SUKKSDSTCNCXMZ-YOGCLGLASA-N 1 0 251.761 2.189 10 0 CEAERO c1cc(-c2ccc(C[NH2+]C[C@H]3CCOC3)cc2)n[nH]1 ZINC000040768517 174398834 /nfs/dbraw/zinc/39/88/34/174398834.db2.gz WQLYBYCVQRWYMY-CYBMUJFWSA-N 1 0 257.337 2.203 10 0 CEAERO Cc1cccc(C(=O)NCC[NH+]2CCC(C)CC2)c1N ZINC000040770867 174399784 /nfs/dbraw/zinc/39/97/84/174399784.db2.gz RJMTWCPDWFSGSH-UHFFFAOYSA-N 1 0 275.396 2.039 10 0 CEAERO COC[C@@H]1CCCC[N@H+](C[C@H]2CCC[C@@H](O)C2)C1 ZINC000660292227 414756992 /nfs/dbraw/zinc/75/69/92/414756992.db2.gz GJLRXMBNWLLROI-RRFJBIMHSA-N 1 0 255.402 2.286 10 0 CEAERO [NH3+]C1CC(NC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000041110962 174481988 /nfs/dbraw/zinc/48/19/88/174481988.db2.gz JXKXMFLFIFNKRV-UHFFFAOYSA-N 1 0 273.258 2.317 10 0 CEAERO CN(C(=O)c1cccc(F)c1Cl)[C@H](C[NH3+])C(F)(F)F ZINC000662978948 414817210 /nfs/dbraw/zinc/81/72/10/414817210.db2.gz JZFDLZKLYSVAJJ-MRVPVSSYSA-N 1 0 298.667 2.441 10 0 CEAERO CN(C(=O)CCCc1ccccc1)[C@@H](C[NH3+])C(F)(F)F ZINC000662977525 414817300 /nfs/dbraw/zinc/81/73/00/414817300.db2.gz LAHJJRUOELUMHW-LBPRGKRZSA-N 1 0 288.313 2.357 10 0 CEAERO CC(C)(C)[C@@H]1C[N@H+](C[C@H]2CCC[C@@H](O)C2)CCO1 ZINC000660441580 414822944 /nfs/dbraw/zinc/82/29/44/414822944.db2.gz GHIYRESFATWVLT-MJBXVCDLSA-N 1 0 255.402 2.284 10 0 CEAERO CCCCN(CC)C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653057731 414892111 /nfs/dbraw/zinc/89/21/11/414892111.db2.gz OCIJGBIMZAZTJN-NXEZZACHSA-N 1 0 266.307 2.033 10 0 CEAERO CCN(C[C@@H](C)C(N)=[NH2+])c1cc(C)nc(C(C)C)n1 ZINC000042446457 174741003 /nfs/dbraw/zinc/74/10/03/174741003.db2.gz RNJXCEUFOJIFNI-SNVBAGLBSA-N 1 0 263.389 2.307 10 0 CEAERO CN(C[C@@H]1CCCCO1)c1ccc(F)cc1C[NH3+] ZINC000042465122 174753820 /nfs/dbraw/zinc/75/38/20/174753820.db2.gz RRXQIUFODHIZOK-ZDUSSCGKSA-N 1 0 252.333 2.290 10 0 CEAERO CC1CCC(NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CC1 ZINC000653345959 414992094 /nfs/dbraw/zinc/99/20/94/414992094.db2.gz BPSOCJLWVSEGQS-JPPWEJMLSA-N 1 0 278.318 2.079 10 0 CEAERO CC[C@@H](C)N(CCOC)[C@@H](CC[NH3+])C(F)(F)F ZINC000042562977 174798632 /nfs/dbraw/zinc/79/86/32/174798632.db2.gz HHKVFKMAZFHZMG-ZJUUUORDSA-N 1 0 256.312 2.013 10 0 CEAERO Cc1nc(NC(=O)CCC[NH2+]C(C)C)sc1C ZINC000042573198 174801145 /nfs/dbraw/zinc/80/11/45/174801145.db2.gz ZXNZJWXBROEQAH-UHFFFAOYSA-N 1 0 255.387 2.477 10 0 CEAERO CN1C[C@@H](C[NH2+]Cc2cc3ccccc3o2)CC1=O ZINC000657693670 415048929 /nfs/dbraw/zinc/04/89/29/415048929.db2.gz DVDKXNPKZPWRMK-LLVKDONJSA-N 1 0 258.321 2.001 10 0 CEAERO Cc1nn(C)c(N2CCc3sccc3[C@H]2C)c1C[NH3+] ZINC000042777770 174874949 /nfs/dbraw/zinc/87/49/49/174874949.db2.gz DVTCHXISZYZHDI-SNVBAGLBSA-N 1 0 276.409 2.372 10 0 CEAERO O[C@@H](C[NH2+]C[C@@H]1CCCCO1)COc1ccc(Cl)cc1 ZINC000042819062 174886942 /nfs/dbraw/zinc/88/69/42/174886942.db2.gz YGUNUESRKIYXOO-ZFWWWQNUSA-N 1 0 299.798 2.238 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1cccc(F)c1)N1CCOC(C)(C)C1 ZINC000042971988 174935143 /nfs/dbraw/zinc/93/51/43/174935143.db2.gz UVQYERWERLTWGM-FZMZJTMJSA-N 1 0 266.360 2.325 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cccs1)N(C)CC(=O)N(CC)CC ZINC000043105821 174971228 /nfs/dbraw/zinc/97/12/28/174971228.db2.gz OECIOYICVFPEJL-IUODEOHRSA-N 1 0 297.468 2.327 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1nc[nH]n1)c1ccsc1 ZINC000043125838 174978104 /nfs/dbraw/zinc/97/81/04/174978104.db2.gz XEZDVNDPBNEPFY-IUCAKERBSA-N 1 0 254.384 2.437 10 0 CEAERO CC[C@H]([NH3+])[C@H](OCc1ccc(OC)cc1)c1cnn(C)c1 ZINC000043235374 174987265 /nfs/dbraw/zinc/98/72/65/174987265.db2.gz RANCTJBQSKVYJJ-JKSUJKDBSA-N 1 0 289.379 2.424 10 0 CEAERO Cc1ccsc1[C@H]([C@H](C)[NH3+])N1CCOC[C@@H]1C ZINC000043247859 174992037 /nfs/dbraw/zinc/99/20/37/174992037.db2.gz PKIHORXSZKGZPQ-SRVKXCTJSA-N 1 0 254.399 2.166 10 0 CEAERO C[C@H]([NH3+])[C@H](c1ccc(Cl)s1)N1CCC(O)CC1 ZINC000043251889 174994728 /nfs/dbraw/zinc/99/47/28/174994728.db2.gz ATVQELWINWWREG-QPUJVOFHSA-N 1 0 274.817 2.247 10 0 CEAERO CC[NH2+][C@H](c1ccc(OCC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043300788 175001588 /nfs/dbraw/zinc/00/15/88/175001588.db2.gz DRIHAVOIFZVQPZ-DZGCQCFKSA-N 1 0 297.420 2.171 10 0 CEAERO CC[NH2+][C@@H](c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043300915 175001657 /nfs/dbraw/zinc/00/16/57/175001657.db2.gz NCBPLSPDYIISCK-KBPBESRZSA-N 1 0 267.394 2.080 10 0 CEAERO CCC[NH2+][C@H](c1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043301216 175002147 /nfs/dbraw/zinc/00/21/47/175002147.db2.gz XNLPUWPBDOVTEC-GXTWGEPZSA-N 1 0 285.384 2.301 10 0 CEAERO COc1ccc(Cl)c(NC(=O)C[NH2+]C(C)C)c1 ZINC000043318639 175005528 /nfs/dbraw/zinc/00/55/28/175005528.db2.gz RVQZSQCUOIBTIU-UHFFFAOYSA-N 1 0 256.733 2.285 10 0 CEAERO COc1ccc(Cl)c(NC(=O)C[NH2+]CC2CC2)c1 ZINC000043318645 175005835 /nfs/dbraw/zinc/00/58/35/175005835.db2.gz SQORNYZBHULRHN-UHFFFAOYSA-N 1 0 268.744 2.287 10 0 CEAERO CCCN(C(=O)c1cc(OC)ccc1O)[C@@H]1CCC[NH2+]C1 ZINC000043327786 175009103 /nfs/dbraw/zinc/00/91/03/175009103.db2.gz WPZCUBGRZUKPQL-GFCCVEGCSA-N 1 0 292.379 2.005 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccco1)N1CCOCC1(C)C ZINC000043335708 175010904 /nfs/dbraw/zinc/01/09/04/175010904.db2.gz SMIIOMCLRCZNCI-YPMHNXCESA-N 1 0 252.358 2.169 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1nnnn1C1CC1)c1ccco1 ZINC000043338249 175012492 /nfs/dbraw/zinc/01/24/92/175012492.db2.gz DDUJVOQCIPJQFB-GXSJLCMTSA-N 1 0 279.369 2.172 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccccn1)N(C)CC(F)(F)F ZINC000043339593 175013677 /nfs/dbraw/zinc/01/36/77/175013677.db2.gz DQGFIPDKDVSJEP-MWLCHTKSSA-N 1 0 261.291 2.354 10 0 CEAERO C[C@@H]([NH3+])[C@@H](Oc1ccc2c(c1)OCO2)c1ccccn1 ZINC000043343119 175015893 /nfs/dbraw/zinc/01/58/93/175015893.db2.gz GDAIYEAISYVACH-MEBBXXQBSA-N 1 0 272.304 2.278 10 0 CEAERO C[C@H]([NH3+])[C@@H](Oc1ccc(CO)cc1)c1ccccn1 ZINC000043343992 175016400 /nfs/dbraw/zinc/01/64/00/175016400.db2.gz XBPBOQKIQAWYEC-XHDPSFHLSA-N 1 0 258.321 2.041 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1cccnc1)N(C)Cc1ccncc1 ZINC000043346485 175017532 /nfs/dbraw/zinc/01/75/32/175017532.db2.gz JPOONLDQOLQHRM-HOTGVXAUSA-N 1 0 270.380 2.387 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1cccnc1)N(CCOC)CC(C)C ZINC000043347898 175018014 /nfs/dbraw/zinc/01/80/14/175018014.db2.gz HQSSGNXAXNNWBB-HZPDHXFCSA-N 1 0 279.428 2.464 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1cccnc1)n1ccc(C(F)(F)F)n1 ZINC000043349036 175019104 /nfs/dbraw/zinc/01/91/04/175019104.db2.gz VRDKTNYJODPLLO-LDYMZIIASA-N 1 0 270.258 2.234 10 0 CEAERO [NH3+]C[C@H](OCc1ccc2c(c1)OCO2)c1cccnc1 ZINC000043350258 175019157 /nfs/dbraw/zinc/01/91/57/175019157.db2.gz NXNGIRZQSIAWJI-HNNXBMFYSA-N 1 0 272.304 2.027 10 0 CEAERO COc1ccc(CO[C@@H](C[NH3+])c2cccnc2)cc1 ZINC000043350592 175019573 /nfs/dbraw/zinc/01/95/73/175019573.db2.gz KQGATQXRSSIVHQ-HNNXBMFYSA-N 1 0 258.321 2.307 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1ncccn1)c1cccnc1 ZINC000043352134 175020457 /nfs/dbraw/zinc/02/04/57/175020457.db2.gz QSOQMMIGTVKNBL-VXGBXAGGSA-N 1 0 260.366 2.442 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccncc1)N(C)Cc1cscn1 ZINC000043354852 175021985 /nfs/dbraw/zinc/02/19/85/175021985.db2.gz FGAYHVQXAAJDKT-ZWNOBZJWSA-N 1 0 262.382 2.058 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccncc1)N(C)Cc1cscn1 ZINC000043354854 175022552 /nfs/dbraw/zinc/02/25/52/175022552.db2.gz SCBDDGGDGUZZFW-ZIAGYGMSSA-N 1 0 276.409 2.449 10 0 CEAERO Cc1ncsc1CCO[C@@H](c1ccncc1)[C@@H](C)[NH3+] ZINC000043355731 175023027 /nfs/dbraw/zinc/02/30/27/175023027.db2.gz MCUUJOOZPDHOLZ-QMTHXVAHSA-N 1 0 277.393 2.494 10 0 CEAERO C[C@@H]([NH3+])[C@@H](OCc1ccc2c(c1)OCO2)c1ccncc1 ZINC000043355676 175023194 /nfs/dbraw/zinc/02/31/94/175023194.db2.gz NYYSRODVXULFSH-BDJLRTHQSA-N 1 0 286.331 2.415 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Oc1ccccc1C(N)=O)c1ccncc1 ZINC000043355748 175023579 /nfs/dbraw/zinc/02/35/79/175023579.db2.gz BHNWTWUDHWAVRX-HIFRSBDPSA-N 1 0 285.347 2.038 10 0 CEAERO COCCN([C@@H](c1ccc(C)o1)[C@@H](C)[NH3+])C1CC1 ZINC000043364910 175025255 /nfs/dbraw/zinc/02/52/55/175025255.db2.gz GEGAUGCNZZPDAT-BXUZGUMPSA-N 1 0 252.358 2.087 10 0 CEAERO Cc1ccc([C@@H]([C@H](C)[NH3+])N(C)C[C@@H]2CCCO2)o1 ZINC000043364762 175025320 /nfs/dbraw/zinc/02/53/20/175025320.db2.gz WMSJEPCJJMSSMT-SGMGOOAPSA-N 1 0 252.358 2.087 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)N(CC)CCOC ZINC000043364875 175025675 /nfs/dbraw/zinc/02/56/75/175025675.db2.gz GLRMCKWKTHCEEH-OCCSQVGLSA-N 1 0 254.374 2.335 10 0 CEAERO Cc1ccc([C@H]([C@@H](C)[NH3+])N(C)C[C@@H]2CCCO2)o1 ZINC000043364761 175025687 /nfs/dbraw/zinc/02/56/87/175025687.db2.gz WMSJEPCJJMSSMT-DYEKYZERSA-N 1 0 252.358 2.087 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)N1CCN(C2CC2)CC1 ZINC000043364834 175025712 /nfs/dbraw/zinc/02/57/12/175025712.db2.gz SWXYBOVIUHHSJP-HOCLYGCPSA-N 1 0 277.412 2.146 10 0 CEAERO Cc1ccc([C@H]([C@H](C)[NH3+])n2cc(Br)cn2)o1 ZINC000043365541 175026979 /nfs/dbraw/zinc/02/69/79/175026979.db2.gz WEBFXWCAUOTACC-KWQFWETISA-N 1 0 284.157 2.484 10 0 CEAERO Cc1ccc([C@H]([C@@H](C)[NH3+])n2cc(Br)cn2)o1 ZINC000043365539 175027029 /nfs/dbraw/zinc/02/70/29/175027029.db2.gz WEBFXWCAUOTACC-KCJUWKMLSA-N 1 0 284.157 2.484 10 0 CEAERO Cc1ccc([C@H](Oc2ccccc2C(N)=O)[C@H](C)[NH3+])o1 ZINC000043366514 175027157 /nfs/dbraw/zinc/02/71/57/175027157.db2.gz JBVUTUGQYBTYIW-IINYFYTJSA-N 1 0 274.320 2.154 10 0 CEAERO CC[C@H]([NH3+])[C@@H](N(C)CCc1ccccn1)C(F)(F)F ZINC000043376780 175029971 /nfs/dbraw/zinc/02/99/71/175029971.db2.gz POCHRIQZEUHCOF-NWDGAFQWSA-N 1 0 275.318 2.224 10 0 CEAERO COc1ccccc1CN(C)[C@@H]([C@@H](C)[NH3+])C(F)(F)F ZINC000043378190 175030407 /nfs/dbraw/zinc/03/04/07/175030407.db2.gz KXUUOGGLEBCAOE-SKDRFNHKSA-N 1 0 276.302 2.405 10 0 CEAERO COc1ccc(CN(C)[C@H]([C@@H](C)[NH3+])C(F)(F)F)cc1 ZINC000043378165 175030554 /nfs/dbraw/zinc/03/05/54/175030554.db2.gz KIRIYTFYYXWWSE-BXKDBHETSA-N 1 0 276.302 2.405 10 0 CEAERO COCCCN(CCOC)[C@@H](C[NH3+])c1cc(C)cc(C)c1 ZINC000043394465 175035098 /nfs/dbraw/zinc/03/50/98/175035098.db2.gz LCFQSGCETPAJEZ-KRWDZBQOSA-N 1 0 294.439 2.288 10 0 CEAERO CC[NH+](CC)CCCNc1nc(C)ccc1C(N)=S ZINC000043396420 175036340 /nfs/dbraw/zinc/03/63/40/175036340.db2.gz OBMLQZFOLRSHCI-UHFFFAOYSA-N 1 0 280.441 2.168 10 0 CEAERO [NH3+]CC1(CC(=O)OC2CCOCC2)CCCCC1 ZINC000043414048 175037784 /nfs/dbraw/zinc/03/77/84/175037784.db2.gz YGPHJTVZFMIAAZ-UHFFFAOYSA-N 1 0 255.358 2.008 10 0 CEAERO Brc1cnc2[nH]c([C@@H]3CCC[NH2+]3)nc2c1 ZINC000043460868 175051767 /nfs/dbraw/zinc/05/17/67/175051767.db2.gz YOIXUHCFXOSABY-ZETCQYMHSA-N 1 0 267.130 2.145 10 0 CEAERO Cc1ccc(Cl)c(NC(=O)[C@@H]2C[NH2+]CCO2)c1Cl ZINC000043707473 175100284 /nfs/dbraw/zinc/10/02/84/175100284.db2.gz BCHAXOGSRUZCIC-VIFPVBQESA-N 1 0 289.162 2.229 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2OC[C@H]1N1CCC(C)CC1 ZINC000043806520 175108353 /nfs/dbraw/zinc/10/83/53/175108353.db2.gz DTSRQDRLTQYOLM-GDBMZVCRSA-N 1 0 260.381 2.440 10 0 CEAERO C[NH2+][C@H]1CC[C@@H](c2ccccc2)C[C@@H]1N1CCOCC1 ZINC000043807996 175108910 /nfs/dbraw/zinc/10/89/10/175108910.db2.gz LQADTWWRFRQEBE-IKGGRYGDSA-N 1 0 274.408 2.243 10 0 CEAERO CCC[NH2+][C@H](CN1CCOCC1)c1cccc(OC)c1 ZINC000043808652 175109152 /nfs/dbraw/zinc/10/91/52/175109152.db2.gz XYQMBOBBVWYDBM-MRXNPFEDSA-N 1 0 278.396 2.068 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2OC[C@H]1N1C[C@@H](C)O[C@@H](C)C1 ZINC000043811559 175111145 /nfs/dbraw/zinc/11/11/45/175111145.db2.gz HJUBLTTUBHVXSX-IARIHHJXSA-N 1 0 290.407 2.207 10 0 CEAERO C[NH2+][C@H](C)c1ccc(OC)c(CN2CCO[C@@H](C)C2)c1 ZINC000043812552 175111306 /nfs/dbraw/zinc/11/13/06/175111306.db2.gz STUPSJXHJAPBEJ-QWHCGFSZSA-N 1 0 278.396 2.196 10 0 CEAERO CCN(C[C@H]([NH2+]C)c1ccc(OC)cc1OC)C1CC1 ZINC000043821247 175114620 /nfs/dbraw/zinc/11/46/20/175114620.db2.gz APJZXWVXTHZHCR-HNNXBMFYSA-N 1 0 278.396 2.449 10 0 CEAERO CCC[NH2+][C@@H]1CCC2(C[C@H]1N(CC)C(C)C)OCCO2 ZINC000043883151 175116243 /nfs/dbraw/zinc/11/62/43/175116243.db2.gz RJWWRHPEQDFIRY-HUUCEWRRSA-N 1 0 284.444 2.381 10 0 CEAERO CCCN(C)C[C@@H]([NH2+]C)c1ccc(OC)c(OC)c1 ZINC000043885951 175116440 /nfs/dbraw/zinc/11/64/40/175116440.db2.gz SXWQCVSJRFHFFT-CYBMUJFWSA-N 1 0 266.385 2.306 10 0 CEAERO CCCOc1ccc([C@@H](CN2CCOC[C@@H]2C)[NH2+]C)cc1 ZINC000043891163 175117972 /nfs/dbraw/zinc/11/79/72/175117972.db2.gz MQQUMIMPZPYFHV-WMLDXEAASA-N 1 0 292.423 2.457 10 0 CEAERO C[NH2+][C@@H]1CCCCC[C@H]1N(C)CCc1ccncc1 ZINC000043901838 175122063 /nfs/dbraw/zinc/12/20/63/175122063.db2.gz LESLVFHJMCGILG-HZPDHXFCSA-N 1 0 261.413 2.477 10 0 CEAERO C[NH2+][C@@H](CN1CC[C@@H](C)C1)c1ccc2c(c1)OCO2 ZINC000043908143 175123328 /nfs/dbraw/zinc/12/33/28/175123328.db2.gz HJAQBHKQWCNOCE-YPMHNXCESA-N 1 0 262.353 2.018 10 0 CEAERO CCC[NH2+][C@@H]1CCOC[C@H]1N(C)Cc1cccc(OC)c1 ZINC000043912044 175123820 /nfs/dbraw/zinc/12/38/20/175123820.db2.gz VMCHSFSCFGIDDN-IAGOWNOFSA-N 1 0 292.423 2.284 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2CC[C@H]1N(C)CCOC ZINC000043916108 175124990 /nfs/dbraw/zinc/12/49/90/175124990.db2.gz OFBMCYCVXLJYMG-HZPDHXFCSA-N 1 0 262.397 2.230 10 0 CEAERO CC[NH2+][C@H]1CCCC[C@H]1N(C)C[C@@H]1CCCCO1 ZINC000043966621 175127660 /nfs/dbraw/zinc/12/76/60/175127660.db2.gz MYUKNXOYDIBYJM-SOUVJXGZSA-N 1 0 254.418 2.408 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2OC[C@H]1N(C)C[C@@H]1CCCCO1 ZINC000043966485 175127719 /nfs/dbraw/zinc/12/77/19/175127719.db2.gz YBKHZTAMBXGAPF-YSVLISHTSA-N 1 0 290.407 2.209 10 0 CEAERO CC[NH2+][C@@H]1CCCC[C@H]1N(C)C[C@@H]1CCCCO1 ZINC000043966619 175128099 /nfs/dbraw/zinc/12/80/99/175128099.db2.gz MYUKNXOYDIBYJM-RRFJBIMHSA-N 1 0 254.418 2.408 10 0 CEAERO CCC[NH2+][C@H]1CCC[C@@H]1N(CC)C[C@@H]1CCCO1 ZINC000043966910 175128106 /nfs/dbraw/zinc/12/81/06/175128106.db2.gz RQYSYQBHSLASBH-KKUMJFAQSA-N 1 0 254.418 2.408 10 0 CEAERO C[NH2+][C@H](CN(C)Cc1cnn(C)c1)c1ccc(C)c(C)c1 ZINC000043967191 175128391 /nfs/dbraw/zinc/12/83/91/175128391.db2.gz LXWLUJKGPNZELO-QGZVFWFLSA-N 1 0 286.423 2.429 10 0 CEAERO CC[NH2+][C@@H]1CCOC[C@@H]1N(C)CC1CCCCC1 ZINC000043968283 175129742 /nfs/dbraw/zinc/12/97/42/175129742.db2.gz BLOUQTBJRFTCFU-CABCVRRESA-N 1 0 254.418 2.266 10 0 CEAERO CCC1CCC(N(C)[C@H]2COCC[C@@H]2[NH2+]C)CC1 ZINC000043968982 175130206 /nfs/dbraw/zinc/13/02/06/175130206.db2.gz SJZCHVYWUYTMSD-WUCCLRPBSA-N 1 0 254.418 2.264 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2C[C@H]1N(C)[C@@H](C)COC ZINC000043969212 175130286 /nfs/dbraw/zinc/13/02/86/175130286.db2.gz JKZLXCIQUOBBJL-MAZHCROVSA-N 1 0 262.397 2.229 10 0 CEAERO CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N(CCOC)C1CC1 ZINC000043969884 175131252 /nfs/dbraw/zinc/13/12/52/175131252.db2.gz AZTOKYNMIONGAP-YUELXQCFSA-N 1 0 254.418 2.264 10 0 CEAERO Cc1cc(-c2csc(N3CC[NH2+]CC3)n2)c(C)o1 ZINC000044494143 175181833 /nfs/dbraw/zinc/18/18/33/175181833.db2.gz ZTFJQRSMTZLDOZ-UHFFFAOYSA-N 1 0 263.366 2.430 10 0 CEAERO CC(C)OC(=O)COc1ccc2c(c1)CCC[C@H]2[NH3+] ZINC000044732392 175240938 /nfs/dbraw/zinc/24/09/38/175240938.db2.gz HZSZOKXCMFORTD-CQSZACIVSA-N 1 0 263.337 2.353 10 0 CEAERO C[NH2+][C@H]1CCCc2cc(O[C@@H](C)C(=O)N(C)C)ccc21 ZINC000044745285 175241521 /nfs/dbraw/zinc/24/15/21/175241521.db2.gz UNUMNCZFYQPTAZ-NHYWBVRUSA-N 1 0 276.380 2.139 10 0 CEAERO CC[C@@H](C)NC(=O)COc1ccc2c(c1)CCC[C@@H]2[NH3+] ZINC000044745045 175241665 /nfs/dbraw/zinc/24/16/65/175241665.db2.gz BQTBOTVCRRRTLN-ABAIWWIYSA-N 1 0 276.380 2.316 10 0 CEAERO Cc1cc(N)ccc1C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC000044749007 175244303 /nfs/dbraw/zinc/24/43/03/175244303.db2.gz BRRONZZIJVZXJS-UHFFFAOYSA-N 1 0 275.396 2.134 10 0 CEAERO Cc1cccc(OCCNC(=O)C2(C[NH3+])CCCCC2)c1 ZINC000044764307 175248090 /nfs/dbraw/zinc/24/80/90/175248090.db2.gz JSGWGLOZXVCBKB-UHFFFAOYSA-N 1 0 290.407 2.399 10 0 CEAERO [NH3+]CC1(C(=O)N(CC(F)(F)F)C2CC2)CCCCC1 ZINC000044764257 175248350 /nfs/dbraw/zinc/24/83/50/175248350.db2.gz ISDYHYVROOXTNI-UHFFFAOYSA-N 1 0 278.318 2.449 10 0 CEAERO CCC(CC)(C(N)=S)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000044780123 175253089 /nfs/dbraw/zinc/25/30/89/175253089.db2.gz VUTXFGQDKFSZLQ-GFCCVEGCSA-N 1 0 299.484 2.070 10 0 CEAERO [NH3+]C[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000044795269 175254684 /nfs/dbraw/zinc/25/46/84/175254684.db2.gz ZKLPFSQCXCNTRW-CQSZACIVSA-N 1 0 260.381 2.253 10 0 CEAERO C[C@@H](NC(=O)[C@H](C[NH3+])Cc1ccccc1)c1ccccn1 ZINC000044801182 175255401 /nfs/dbraw/zinc/25/54/01/175255401.db2.gz YVFMJNVWHAAFKD-HIFRSBDPSA-N 1 0 283.375 2.076 10 0 CEAERO C[C@H](NC(=O)[C@H](C[NH3+])Cc1ccccc1)c1ccccn1 ZINC000044801180 175255664 /nfs/dbraw/zinc/25/56/64/175255664.db2.gz YVFMJNVWHAAFKD-ZFWWWQNUSA-N 1 0 283.375 2.076 10 0 CEAERO CCC[C@@H](C)N(C)C(=O)[C@H](C[NH3+])Cc1ccccc1 ZINC000044802062 175255784 /nfs/dbraw/zinc/25/57/84/175255784.db2.gz NNEZEQLWFWSNOP-HIFRSBDPSA-N 1 0 262.397 2.451 10 0 CEAERO CC[C@@H]1CCCN(C(=O)[C@H](C[NH3+])Cc2ccccc2)C1 ZINC000044802127 175255818 /nfs/dbraw/zinc/25/58/18/175255818.db2.gz DZXRRBQPVYNBSC-ZBFHGGJFSA-N 1 0 274.408 2.453 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000044802488 175256070 /nfs/dbraw/zinc/25/60/70/175256070.db2.gz UWNBRSKWFRRVEX-MGPQQGTHSA-N 1 0 252.402 2.400 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)N1CCOC[C@@H]1CC ZINC000044802340 175256167 /nfs/dbraw/zinc/25/61/67/175256167.db2.gz RWUMHCPMULXTIE-ZDUSSCGKSA-N 1 0 270.417 2.169 10 0 CEAERO CCN(CC(F)(F)F)C(=O)[C@H](C[NH3+])Cc1ccccc1 ZINC000044808077 175256860 /nfs/dbraw/zinc/25/68/60/175256860.db2.gz SBWKGKQDHNXNIS-LBPRGKRZSA-N 1 0 288.313 2.215 10 0 CEAERO CC(C)N(CC1CC1)C(=O)[C@H](C[NH3+])Cc1ccccc1 ZINC000044807693 175257140 /nfs/dbraw/zinc/25/71/40/175257140.db2.gz YTLQHNMZVUJLKY-INIZCTEOSA-N 1 0 274.408 2.451 10 0 CEAERO Cc1nccc(CNC(=O)Nc2ccc([C@@H](C)[NH3+])cc2)n1 ZINC000044984722 175283844 /nfs/dbraw/zinc/28/38/44/175283844.db2.gz CPRUCVKZEWMKNZ-SNVBAGLBSA-N 1 0 285.351 2.126 10 0 CEAERO Cc1cc(C)c(C(N)=S)c(NC[C@@H]2CCCOC2)[nH+]1 ZINC000044984259 175284087 /nfs/dbraw/zinc/28/40/87/175284087.db2.gz BQENJTMBAWKXQG-NSHDSACASA-N 1 0 279.409 2.171 10 0 CEAERO C[C@@H](CNc1ncccc1C(N)=S)[NH+]1CCCCC1 ZINC000045010036 175289468 /nfs/dbraw/zinc/28/94/68/175289468.db2.gz ZIDCVFOKMOKFBE-NSHDSACASA-N 1 0 278.425 2.002 10 0 CEAERO C[C@H](CNC(=O)Nc1cccc(N)c1)[NH+]1CCCCC1 ZINC000045011764 175290080 /nfs/dbraw/zinc/29/00/80/175290080.db2.gz MJXAJKQCBAQGNL-GFCCVEGCSA-N 1 0 276.384 2.265 10 0 CEAERO C[C@H](CNc1nccnc1Cl)[NH+]1CCCCC1 ZINC000045014506 175290912 /nfs/dbraw/zinc/29/09/12/175290912.db2.gz YNGNBHFBMYLFLJ-SNVBAGLBSA-N 1 0 254.765 2.416 10 0 CEAERO CCN(c1cccc(F)c1)[C@](C)(C[NH3+])CCOC ZINC000045043753 175295638 /nfs/dbraw/zinc/29/56/38/175295638.db2.gz CNCVZKLTADLMDG-AWEZNQCLSA-N 1 0 254.349 2.406 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1cnn(C)c1)N(C)CC(C)(C)C ZINC000045065385 175299439 /nfs/dbraw/zinc/29/94/39/175299439.db2.gz OJLAPABBRLVHKT-QWHCGFSZSA-N 1 0 252.406 2.176 10 0 CEAERO NCC1([N@@H+]2CCC[C@H]2C2CCCC2)CCOCC1 ZINC000045071044 175301535 /nfs/dbraw/zinc/30/15/35/175301535.db2.gz LOCFWORVGIMGCN-AWEZNQCLSA-N 1 0 252.402 2.149 10 0 CEAERO C[C@@H](CNc1ccc(Br)cc1N)[NH+](C)C ZINC000045105850 175307817 /nfs/dbraw/zinc/30/78/17/175307817.db2.gz GFNMIRIZEYFRIY-QMMMGPOBSA-N 1 0 272.190 2.393 10 0 CEAERO CO[C@@H]1CCCC[C@H]1[NH2+]CCCCn1ccnc1 ZINC000045106354 175308489 /nfs/dbraw/zinc/30/84/89/175308489.db2.gz VMSRVJJTIHFZTH-ZIAGYGMSSA-N 1 0 251.374 2.211 10 0 CEAERO CCOc1nc(NC[C@H]2CC[N@@H+](C(C)C)C2)ccc1N ZINC000045118622 175311397 /nfs/dbraw/zinc/31/13/97/175311397.db2.gz BTHJZDBFACRICN-GFCCVEGCSA-N 1 0 278.400 2.205 10 0 CEAERO CC1(C)C[C@H]1[NH2+][C@H]1CCS(=O)(=O)c2ccccc21 ZINC000045117282 175311726 /nfs/dbraw/zinc/31/17/26/175311726.db2.gz QIIUGLYOYIGPTF-WCQYABFASA-N 1 0 265.378 2.293 10 0 CEAERO Cn1ccnc1CC[NH2+]Cc1nc2ccccc2s1 ZINC000045134283 175312829 /nfs/dbraw/zinc/31/28/29/175312829.db2.gz FLQHRLQDJXEUGZ-UHFFFAOYSA-N 1 0 272.377 2.362 10 0 CEAERO CCCC1N=NC(=S)N1C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000045135876 175313562 /nfs/dbraw/zinc/31/35/62/175313562.db2.gz LCXKIYOIIPSNKZ-LLVKDONJSA-N 1 0 268.430 2.250 10 0 CEAERO CC[C@@H]([NH2+]C)c1cccc(S(=O)(=O)N[C@@H]2CC2(C)C)c1 ZINC000045138177 175314497 /nfs/dbraw/zinc/31/44/97/175314497.db2.gz SJTDSYQBEAIXJS-ZIAGYGMSSA-N 1 0 296.436 2.434 10 0 CEAERO CC[NH2+][C@H](C)c1cccc(S(=O)(=O)N[C@@H]2CC2(C)C)c1 ZINC000045138152 175314648 /nfs/dbraw/zinc/31/46/48/175314648.db2.gz OOXLYFUQYPMFPF-BXUZGUMPSA-N 1 0 296.436 2.434 10 0 CEAERO CC[NH+](CC)CCCN[C@H](C)c1c(C)nn(C)c1C ZINC000045167553 175319362 /nfs/dbraw/zinc/31/93/62/175319362.db2.gz UQUWGEQENLOMCY-GFCCVEGCSA-N 1 0 266.433 2.419 10 0 CEAERO Cc1nn(C)c(C)c1[C@H](C)[NH2+][C@@H](C)C(=O)N1CCCCC1 ZINC000045171782 175321142 /nfs/dbraw/zinc/32/11/42/175321142.db2.gz KOMYYBGBODCSDZ-AAEUAGOBSA-N 1 0 292.427 2.089 10 0 CEAERO Cc1nn(C)c(C)c1[C@H](C)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000045172126 175321493 /nfs/dbraw/zinc/32/14/93/175321493.db2.gz BXYRLEODUXWIOC-SWLSCSKDSA-N 1 0 278.444 2.418 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]C[C@H]1CCCCN1C ZINC000045172749 175322604 /nfs/dbraw/zinc/32/26/04/175322604.db2.gz KQFJCLOTJVPMQS-BXUZGUMPSA-N 1 0 264.417 2.172 10 0 CEAERO CCCN[C@@](C)(CCN1CCc2ccccc21)C(=O)OC ZINC000045224344 175332393 /nfs/dbraw/zinc/33/23/93/175332393.db2.gz MRQIFTXYRLPFCE-KRWDZBQOSA-N 1 0 290.407 2.371 10 0 CEAERO CCOC(=O)[C@](C)(CN1CCc2ccccc21)NC(C)C ZINC000045224268 175332398 /nfs/dbraw/zinc/33/23/98/175332398.db2.gz YGZHICAKWMWVOG-KRWDZBQOSA-N 1 0 290.407 2.369 10 0 CEAERO COC(=O)[C@](C)(CC[NH+]1C[C@H](C)C[C@@H](C)C1)NC(C)C ZINC000045224713 175332814 /nfs/dbraw/zinc/33/28/14/175332814.db2.gz IRBFNQGZPDYNRK-FMKPAKJESA-N 1 0 284.444 2.284 10 0 CEAERO CCN[C@@](C[NH+](CC)CC)(C(=O)OCC)c1ccccc1 ZINC000045226490 175333495 /nfs/dbraw/zinc/33/34/95/175333495.db2.gz QLYPVVIGBPDGBZ-QGZVFWFLSA-N 1 0 292.423 2.396 10 0 CEAERO CCN[C@](C)(CC[NH+]1CCCCCC1)C(=O)OCC ZINC000045228901 175334447 /nfs/dbraw/zinc/33/44/47/175334447.db2.gz VRSUMNDKZGOQBP-OAHLLOKOSA-N 1 0 270.417 2.184 10 0 CEAERO CCCC[NH+](CCCC)C[C@@](C)(N)C(=O)OCC ZINC000045232686 175336200 /nfs/dbraw/zinc/33/62/00/175336200.db2.gz XLLMNRKEZZEFGJ-CQSZACIVSA-N 1 0 258.406 2.169 10 0 CEAERO CC[N@H+](CC[C@@](C)(NC(C)C)C(=O)OC)CC(C)C ZINC000045264232 175337662 /nfs/dbraw/zinc/33/76/62/175337662.db2.gz HQTRRTNSNLSFCU-OAHLLOKOSA-N 1 0 272.433 2.284 10 0 CEAERO CCCN[C@@](C[N@H+](C)CC)(C(=O)OCC)c1ccccc1 ZINC000045264623 175338388 /nfs/dbraw/zinc/33/83/88/175338388.db2.gz DFCZPQUBWRLVRA-QGZVFWFLSA-N 1 0 292.423 2.396 10 0 CEAERO CCC[N@H+](CC[C@@](C)(NC)C(=O)OCC)C(C)C ZINC000045266912 175338887 /nfs/dbraw/zinc/33/88/87/175338887.db2.gz ZAXDWVBOBAARGZ-CQSZACIVSA-N 1 0 258.406 2.038 10 0 CEAERO CCC[NH2+][C@](C)(CC[N@H+](C)C1CCCC1)C(=O)[O-] ZINC000045266216 175338993 /nfs/dbraw/zinc/33/89/93/175338993.db2.gz QCIHFPILMOCJLE-CQSZACIVSA-N 1 0 256.390 2.094 10 0 CEAERO CCC[N@H+](C[C@](N)(C(=O)OC)c1ccccc1)C(C)C ZINC000045266679 175339454 /nfs/dbraw/zinc/33/94/54/175339454.db2.gz GGAFQFAHJVZDSH-MRXNPFEDSA-N 1 0 278.396 2.134 10 0 CEAERO CC[N@H+](CC[C@](C)([NH2+]C1CC1)C(=O)[O-])C1CCCC1 ZINC000045269270 175340602 /nfs/dbraw/zinc/34/06/02/175340602.db2.gz LJOFUGKZFIWLGU-HNNXBMFYSA-N 1 0 268.401 2.236 10 0 CEAERO CCN[C@@](C)(CC[N@H+](CC)C1CCCC1)C(=O)OC ZINC000045269298 175340865 /nfs/dbraw/zinc/34/08/65/175340865.db2.gz KGAMJYSODSUHKU-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CCCN[C@](C)(C[N@H+](C)C(CC)CC)C(=O)OCC ZINC000045269654 175341181 /nfs/dbraw/zinc/34/11/81/175341181.db2.gz ATGKATDEWXBUJF-OAHLLOKOSA-N 1 0 272.433 2.428 10 0 CEAERO CCCN[C@@](C)(C[N@H+](C)[C@@H](C)CCC)C(=O)OC ZINC000045271112 175342742 /nfs/dbraw/zinc/34/27/42/175342742.db2.gz ZNFPRZXJSYAGGE-JSGCOSHPSA-N 1 0 258.406 2.038 10 0 CEAERO COC(=O)[C@](C)(C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)NC(C)C ZINC000045272099 175343222 /nfs/dbraw/zinc/34/32/22/175343222.db2.gz SGKUFAVTHJAYDU-UXLLHSPISA-N 1 0 296.455 2.428 10 0 CEAERO CCCC[N@H+](CC[C@@](C)([NH2+]CC)C(=O)[O-])C1CC1 ZINC000045276303 175346837 /nfs/dbraw/zinc/34/68/37/175346837.db2.gz KLLKCPDZHVIROY-CQSZACIVSA-N 1 0 256.390 2.094 10 0 CEAERO COC(=O)[C@](N)(C[N@H+](CC(C)C)C1CC1)c1ccccc1 ZINC000045277450 175347078 /nfs/dbraw/zinc/34/70/78/175347078.db2.gz HJFUICPJGYJYPP-KRWDZBQOSA-N 1 0 290.407 2.134 10 0 CEAERO CCOC(=O)[C@](C)(C[N@H+](CC(C)C)C1CC1)NC(C)C ZINC000045277510 175347134 /nfs/dbraw/zinc/34/71/34/175347134.db2.gz IPMSWPBDMDUACH-INIZCTEOSA-N 1 0 284.444 2.427 10 0 CEAERO COC(=O)[C@@](C)(CC[N@H+](CC(C)C)C1CC1)NC(C)C ZINC000045277581 175347598 /nfs/dbraw/zinc/34/75/98/175347598.db2.gz SBTORAZOBDSIME-MRXNPFEDSA-N 1 0 284.444 2.427 10 0 CEAERO CCC[NH2+][C@](C)(CC[N@H+](CC(C)C)C1CC1)C(=O)[O-] ZINC000045277531 175347855 /nfs/dbraw/zinc/34/78/55/175347855.db2.gz WMWSUKKWZWZPJP-OAHLLOKOSA-N 1 0 270.417 2.340 10 0 CEAERO CCCN[C@](C)(C[N@H+](CC1CC1)C(C)C)C(=O)OC ZINC000045280978 175351268 /nfs/dbraw/zinc/35/12/68/175351268.db2.gz VIAPNHIXGMNOEP-OAHLLOKOSA-N 1 0 270.417 2.038 10 0 CEAERO CN[C@](C[N@H+](C)CCC(C)C)(C(=O)OC)c1ccccc1 ZINC000045281184 175351555 /nfs/dbraw/zinc/35/15/55/175351555.db2.gz HCZLOGOXDJKQNS-KRWDZBQOSA-N 1 0 292.423 2.252 10 0 CEAERO CCC[NH2+][C@](C)(CC[N@H+](C)CCC(C)C)C(=O)[O-] ZINC000045281264 175352019 /nfs/dbraw/zinc/35/20/19/175352019.db2.gz ORPUNFGTDGYPAH-CQSZACIVSA-N 1 0 258.406 2.197 10 0 CEAERO CC[NH2+][C@@](C)(CCCC[N@@H+]1CCC[C@@H]1CC)C(=O)[O-] ZINC000045367341 175363330 /nfs/dbraw/zinc/36/33/30/175363330.db2.gz XUEYDZMPJHRYQS-ZFWWWQNUSA-N 1 0 270.417 2.484 10 0 CEAERO CCCC[N@H+](C)CCC[C@](C)(NCC)C(=O)OCC ZINC000045368369 175363378 /nfs/dbraw/zinc/36/33/78/175363378.db2.gz GCVNYKZUEOLUTI-HNNXBMFYSA-N 1 0 272.433 2.430 10 0 CEAERO CCN[C@H](C[N@H+](CC)C1CCCCC1)C(=O)OCC ZINC000045372176 175364682 /nfs/dbraw/zinc/36/46/82/175364682.db2.gz YJAVAGUXQVQZAI-CQSZACIVSA-N 1 0 270.417 2.182 10 0 CEAERO CC1CC[NH+](CCCC[C@](C)([NH2+]C2CC2)C(=O)[O-])CC1 ZINC000045374752 175365768 /nfs/dbraw/zinc/36/57/68/175365768.db2.gz LPWBAQNZARSQLN-INIZCTEOSA-N 1 0 282.428 2.484 10 0 CEAERO CCCN[C@@](C)(CCC[NH+](CC)CC)C(=O)OC ZINC000045375930 175366229 /nfs/dbraw/zinc/36/62/29/175366229.db2.gz IUPSXFWUTSZNMQ-AWEZNQCLSA-N 1 0 258.406 2.040 10 0 CEAERO COC(=O)[C@](C)(CCCC[N@H+](C)C(C)C)NC(C)C ZINC000045377997 175367427 /nfs/dbraw/zinc/36/74/27/175367427.db2.gz KWYSBBWDAULYNX-HNNXBMFYSA-N 1 0 272.433 2.427 10 0 CEAERO C[C@]([NH3+])(CCCC[N@@H+]1CCc2ccccc2C1)C(=O)[O-] ZINC000045378657 175367457 /nfs/dbraw/zinc/36/74/57/175367457.db2.gz UAXIBWXXZNYXHU-INIZCTEOSA-N 1 0 276.380 2.017 10 0 CEAERO CC[NH2+][C@@](C)(CCCN(CC)c1ccccc1)C(N)=O ZINC000045379943 175369191 /nfs/dbraw/zinc/36/91/91/175369191.db2.gz ZLVDTKALRGKIFY-INIZCTEOSA-N 1 0 277.412 2.147 10 0 CEAERO CCN[C@@](C)(CCCC[N@H+](C)[C@@H](C)CC)C(=O)OC ZINC000045381283 175369764 /nfs/dbraw/zinc/36/97/64/175369764.db2.gz UWWOXFGSKIJYLU-ZFWWWQNUSA-N 1 0 272.433 2.428 10 0 CEAERO CCCN[C@](C)(CCC[N@H+](CC)C(C)C)C(=O)OC ZINC000045383858 175371481 /nfs/dbraw/zinc/37/14/81/175371481.db2.gz JAGLEZWSMIJFAK-OAHLLOKOSA-N 1 0 272.433 2.428 10 0 CEAERO CCCN[C@H](C[N@H+](CC)[C@@H](C)CC)C(=O)OCC ZINC000045385126 175372447 /nfs/dbraw/zinc/37/24/47/175372447.db2.gz FFWDFDJHNBWHHX-QWHCGFSZSA-N 1 0 258.406 2.038 10 0 CEAERO CCC[N@H+](CC)CCC[C@@](C)(NC1CC1)C(=O)OC ZINC000045387149 175373034 /nfs/dbraw/zinc/37/30/34/175373034.db2.gz CTEOZEMAEMRNRP-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CCCCC[N@H+](C)CCCC[C@@](C)([NH2+]C)C(=O)[O-] ZINC000045387891 175373676 /nfs/dbraw/zinc/37/36/76/175373676.db2.gz PWNXFSLPFQIBBF-CQSZACIVSA-N 1 0 258.406 2.341 10 0 CEAERO CCCN[C@@H](C[N@H+](C)C(CC)CC)C(=O)OCC ZINC000045391292 175374789 /nfs/dbraw/zinc/37/47/89/175374789.db2.gz PRPSKULBQQNXGU-ZDUSSCGKSA-N 1 0 258.406 2.038 10 0 CEAERO COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000658246339 415280668 /nfs/dbraw/zinc/28/06/68/415280668.db2.gz YMHWZTXBRMVVEL-OLZOCXBDSA-N 1 0 276.380 2.133 10 0 CEAERO CN1C[C@@H](C[NH2+][C@@H]2CCCc3ccccc32)CC1=O ZINC000658245825 415281211 /nfs/dbraw/zinc/28/12/11/415281211.db2.gz WBMCYCHKFREQIF-IUODEOHRSA-N 1 0 258.365 2.132 10 0 CEAERO CN1C[C@@H](C[NH2+][C@@H]2CCCc3sccc32)CC1=O ZINC000658244266 415281552 /nfs/dbraw/zinc/28/15/52/415281552.db2.gz KZTOXRAMRXGWPW-ZYHUDNBSSA-N 1 0 264.394 2.193 10 0 CEAERO CCC[NH2+]C[C@@H]1CC[C@H](COc2cccnc2)O1 ZINC000052646679 175536629 /nfs/dbraw/zinc/53/66/29/175536629.db2.gz VEIICCKLNHVODD-UONOGXRCSA-N 1 0 250.342 2.008 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)NCc1ccccc1Cl ZINC000054305587 175557098 /nfs/dbraw/zinc/55/70/98/175557098.db2.gz IWXUCSPQWGQUEK-NSHDSACASA-N 1 0 266.772 2.346 10 0 CEAERO COc1ccc([C@H](C)[NH2+]C2CC(CO)C2)cc1F ZINC000658352491 415334619 /nfs/dbraw/zinc/33/46/19/415334619.db2.gz XNNDLTDYDHEVOE-BMQDGWLCSA-N 1 0 253.317 2.256 10 0 CEAERO CC[NH2+]Cc1sc(N2CCCO[C@@H](C)C2)nc1CC ZINC000061937010 175658470 /nfs/dbraw/zinc/65/84/70/175658470.db2.gz ITVZIFRYAQOCAK-NSHDSACASA-N 1 0 283.441 2.430 10 0 CEAERO C[C@H](NC(=O)C1([NH3+])CC2(CCC2)C1)C1CCCC1 ZINC000659279639 415487936 /nfs/dbraw/zinc/48/79/36/415487936.db2.gz AAVWMKXTQQBHNV-NSHDSACASA-N 1 0 250.386 2.343 10 0 CEAERO Cc1cc(C)cc(CNC(=O)[C@H]2CCC[NH2+][C@H]2C)c1 ZINC000659345755 415533727 /nfs/dbraw/zinc/53/37/27/415533727.db2.gz UDCFKFKOFOAUAG-ZFWWWQNUSA-N 1 0 260.381 2.308 10 0 CEAERO CCC[C@@H]1C[C@@H]([NH2+]CCC(=O)N[C@@H](C)CC)CCO1 ZINC000070358992 175888468 /nfs/dbraw/zinc/88/84/68/175888468.db2.gz UHFJKWAYTJDAOJ-MELADBBJSA-N 1 0 270.417 2.229 10 0 CEAERO CC(C)[C@H]1C[C@](CO)([NH2+]Cc2cccs2)CCO1 ZINC000070372297 175899071 /nfs/dbraw/zinc/89/90/71/175899071.db2.gz HHKKDHKYTSKRHE-ZIAGYGMSSA-N 1 0 269.410 2.404 10 0 CEAERO C[NH2+][C@H](C[C@H]1CCCO1)c1cc(Cl)cnc1N ZINC000070405879 175912765 /nfs/dbraw/zinc/91/27/65/175912765.db2.gz FMTDUWWSYAMHSD-MWLCHTKSSA-N 1 0 255.749 2.147 10 0 CEAERO C[C@H]1CCCCCN1C(=O)COc1ccc(C[NH3+])cc1 ZINC000070407988 175913670 /nfs/dbraw/zinc/91/36/70/175913670.db2.gz IQKLXJVXRCBGFO-ZDUSSCGKSA-N 1 0 276.380 2.315 10 0 CEAERO C[NH2+]Cc1cccc(NC(=O)[C@H]2CCSC2)c1 ZINC000070437418 175931913 /nfs/dbraw/zinc/93/19/13/175931913.db2.gz LKAODNBDDDKBPJ-NSHDSACASA-N 1 0 250.367 2.098 10 0 CEAERO CCC[C@@H](c1cccs1)N1C[C@H](C[NH3+])CC1=O ZINC000070493384 175955944 /nfs/dbraw/zinc/95/59/44/175955944.db2.gz BOZDBQNSPOOQPJ-QWRGUYRKSA-N 1 0 252.383 2.397 10 0 CEAERO CC[NH2+][C@](C)(CO)C[C@@H](C)Oc1ccc(CCOC)cc1 ZINC000070519345 175966647 /nfs/dbraw/zinc/96/66/47/175966647.db2.gz XRJGJWWAOAYXPO-PBHICJAKSA-N 1 0 295.423 2.393 10 0 CEAERO C[C@@H](C[NH2+]C1CC1)CSc1nnc2n1CCCCC2 ZINC000070525755 175970603 /nfs/dbraw/zinc/97/06/03/175970603.db2.gz GKLMLOJAHUWMNS-NSHDSACASA-N 1 0 280.441 2.485 10 0 CEAERO O=C(CC[C@H]1CCC[NH2+]C1)N[C@@H]1COc2ccccc21 ZINC000070530519 175972714 /nfs/dbraw/zinc/97/27/14/175972714.db2.gz VMWQBNGGAYJDEH-TZMCWYRMSA-N 1 0 274.364 2.016 10 0 CEAERO Cc1c(Cl)cnn1Cc1[nH+]c(NN)ccc1Cl ZINC000070704761 176002438 /nfs/dbraw/zinc/00/24/38/176002438.db2.gz FJVMTVHNDMMUEP-UHFFFAOYSA-N 1 0 272.139 2.227 10 0 CEAERO C[NH2+]Cc1ccn(Cc2cc(Br)cs2)n1 ZINC000070708967 176002810 /nfs/dbraw/zinc/00/28/10/176002810.db2.gz IWQKGCUCLULABK-UHFFFAOYSA-N 1 0 286.198 2.475 10 0 CEAERO Clc1ccc(C[NH2+]CCCc2nnc[nH]2)s1 ZINC000070819290 176007501 /nfs/dbraw/zinc/00/75/01/176007501.db2.gz MWHVMUXKQJNMTA-UHFFFAOYSA-N 1 0 256.762 2.242 10 0 CEAERO C[NH2+][C@H](C)c1csc(N(C)CC(F)(F)F)n1 ZINC000070845659 176008802 /nfs/dbraw/zinc/00/88/02/176008802.db2.gz UTIUODSRKVWIPM-ZCFIWIBFSA-N 1 0 253.293 2.422 10 0 CEAERO CC[C@](C)(CO)[NH2+]Cc1ccc(O)c(Br)c1 ZINC000070898668 176010497 /nfs/dbraw/zinc/01/04/97/176010497.db2.gz UVVVUAKZSZRCJY-GFCCVEGCSA-N 1 0 288.185 2.405 10 0 CEAERO CC1CCC(CN2CC[C@@H]([NH2+]C3CC3)C2=O)CC1 ZINC000071031310 176022558 /nfs/dbraw/zinc/02/25/58/176022558.db2.gz JKXBXPLLGLOHIA-ORHYLEIMSA-N 1 0 250.386 2.166 10 0 CEAERO C[NH2+][C@H]1CCCN(CC[C@H](C)c2ccccc2)C1=O ZINC000071031475 176023236 /nfs/dbraw/zinc/02/32/36/176023236.db2.gz RNCLTBFZJKFVRA-ZFWWWQNUSA-N 1 0 260.381 2.391 10 0 CEAERO CCOc1ccc(N2CC[C@@H]([NH2+]C(C)C)C2=O)cc1 ZINC000071035744 176025240 /nfs/dbraw/zinc/02/52/40/176025240.db2.gz XWVIACHFZZOYJL-CQSZACIVSA-N 1 0 262.353 2.189 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCN1c1ccc(Cl)c(F)c1 ZINC000071036305 176025247 /nfs/dbraw/zinc/02/52/47/176025247.db2.gz AGKHIQJBPNFEJS-GFCCVEGCSA-N 1 0 268.719 2.336 10 0 CEAERO Cc1nc(N2CCC[C@@H]([NH2+]C(C)C)C2=O)sc1C ZINC000071037179 176026001 /nfs/dbraw/zinc/02/60/01/176026001.db2.gz QFVWYWCWJGGTEH-LLVKDONJSA-N 1 0 267.398 2.253 10 0 CEAERO C[NH2+][C@H]1CCCN(Cc2ccccc2Cl)C1=O ZINC000071037825 176026414 /nfs/dbraw/zinc/02/64/14/176026414.db2.gz APVOVBYNJLQLAQ-LBPRGKRZSA-N 1 0 252.745 2.050 10 0 CEAERO C[NH2+][C@@H]1CCCN(Cc2ccccc2Cl)C1=O ZINC000071037824 176026691 /nfs/dbraw/zinc/02/66/91/176026691.db2.gz APVOVBYNJLQLAQ-GFCCVEGCSA-N 1 0 252.745 2.050 10 0 CEAERO COc1ccc(C)cc1N1CC[C@@H]([NH2+]C(C)C)C1=O ZINC000071037780 176026828 /nfs/dbraw/zinc/02/68/28/176026828.db2.gz RKDSCFRJFFMKFH-GFCCVEGCSA-N 1 0 262.353 2.107 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN(Cc2ccc(Cl)cc2)C1=O ZINC000071038656 176027021 /nfs/dbraw/zinc/02/70/21/176027021.db2.gz BFZLFVQAJRJCJP-CYBMUJFWSA-N 1 0 266.772 2.439 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCCN1Cc1cccc(F)c1 ZINC000071039033 176027287 /nfs/dbraw/zinc/02/72/87/176027287.db2.gz YKFRVRWJCCUZFY-AWEZNQCLSA-N 1 0 262.328 2.069 10 0 CEAERO CC(C)[NH2+][C@@H]1CCCN([C@H](C)c2ccncc2)C1=O ZINC000071040176 176027524 /nfs/dbraw/zinc/02/75/24/176027524.db2.gz NCTHRBXBLSTGSB-TZMCWYRMSA-N 1 0 261.369 2.132 10 0 CEAERO CCC[NH2+][C@@H]1CCCN([C@H](C)c2ccncc2)C1=O ZINC000071040161 176027567 /nfs/dbraw/zinc/02/75/67/176027567.db2.gz CIWIHRMZQHNKET-TZMCWYRMSA-N 1 0 261.369 2.133 10 0 CEAERO CC(C)[NH2+][C@@H]1CCCN([C@H](C)c2ccccn2)C1=O ZINC000071040346 176027580 /nfs/dbraw/zinc/02/75/80/176027580.db2.gz SQMVMBTYNIWYAQ-TZMCWYRMSA-N 1 0 261.369 2.132 10 0 CEAERO CCCOc1ccc(N2CCC[C@@H]([NH2+]C)C2=O)cc1 ZINC000071041907 176027875 /nfs/dbraw/zinc/02/78/75/176027875.db2.gz REAHQHHKEJQDFZ-CQSZACIVSA-N 1 0 262.353 2.190 10 0 CEAERO Cc1cc(N2CC[C@@H]([NH2+]C(C)C)C2=O)ccc1F ZINC000071042682 176028747 /nfs/dbraw/zinc/02/87/47/176028747.db2.gz QCDLRBHHMFKOHJ-CYBMUJFWSA-N 1 0 250.317 2.237 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCN1[C@@H]1CCCc2sccc21 ZINC000071042753 176029290 /nfs/dbraw/zinc/02/92/90/176029290.db2.gz UMCPAFFPJLSWNM-QWHCGFSZSA-N 1 0 276.405 2.478 10 0 CEAERO CC(C)[NH2+][C@@H]1CCCN(Cc2cc(F)ccc2F)C1=O ZINC000071043747 176029980 /nfs/dbraw/zinc/02/99/80/176029980.db2.gz MMRHGODSFWXNOC-CQSZACIVSA-N 1 0 282.334 2.454 10 0 CEAERO c1ccc2c(c1)CCO[C@H]2COC[C@H]1CCC[NH2+]C1 ZINC000071091877 176032145 /nfs/dbraw/zinc/03/21/45/176032145.db2.gz QFHOLTBCBGAYQD-BBRMVZONSA-N 1 0 261.365 2.317 10 0 CEAERO Cc1noc(C)c1C[NH2+][C@@]1(CO)CCC[C@@H](C)C1 ZINC000071137726 176036480 /nfs/dbraw/zinc/03/64/80/176036480.db2.gz GFIWVNPTHAIZOL-YGRLFVJLSA-N 1 0 252.358 2.322 10 0 CEAERO C[C@H]1CCC[C@@H]([N@H+](CC(N)=O)Cc2ccccc2N)C1 ZINC000071150542 176045203 /nfs/dbraw/zinc/04/52/03/176045203.db2.gz QOBFFVVYLAJBFX-GXTWGEPZSA-N 1 0 275.396 2.135 10 0 CEAERO CC[C@@H]1CCCC[C@]1(CN)[N@H+](CCOC)C1CC1 ZINC000071161894 176046557 /nfs/dbraw/zinc/04/65/57/176046557.db2.gz WCSGAWSWYLCRJB-UKRRQHHQSA-N 1 0 254.418 2.395 10 0 CEAERO COc1ccc(C[C@@](C)(C[NH3+])N2CCC(OC)CC2)cc1 ZINC000071169121 176050081 /nfs/dbraw/zinc/05/00/81/176050081.db2.gz PACNQNZSTLDHPQ-KRWDZBQOSA-N 1 0 292.423 2.066 10 0 CEAERO COc1ccc(C[C@H](C)N2CCCC[C@@H]2C[NH3+])cc1 ZINC000071169807 176050678 /nfs/dbraw/zinc/05/06/78/176050678.db2.gz ZJEOWKNJSYOTFF-DZGCQCFKSA-N 1 0 262.397 2.439 10 0 CEAERO C[NH+](C)C[C@@H](O)CNc1ccccc1C(C)(C)C ZINC000071174292 176053495 /nfs/dbraw/zinc/05/34/95/176053495.db2.gz NUMRBEZKIILNSO-LBPRGKRZSA-N 1 0 250.386 2.319 10 0 CEAERO CCCOc1cncc(N(CCC[NH3+])CC(C)C)n1 ZINC000071175861 176054402 /nfs/dbraw/zinc/05/44/02/176054402.db2.gz MUAFQPJWHHAEII-UHFFFAOYSA-N 1 0 266.389 2.077 10 0 CEAERO COc1cncc(N(CCC[NH3+])C2CCCCCC2)n1 ZINC000071175767 176054499 /nfs/dbraw/zinc/05/44/99/176054499.db2.gz IQNHFXKLUBLLAT-UHFFFAOYSA-N 1 0 278.400 2.363 10 0 CEAERO Cc1ccc(O[C@H]2CCN(C)C2=O)c(C[NH2+]CC(C)C)c1 ZINC000071183247 176058561 /nfs/dbraw/zinc/05/85/61/176058561.db2.gz LZRBXJZZSBMEIB-INIZCTEOSA-N 1 0 290.407 2.350 10 0 CEAERO CN(Cc1cc(N)ccc1Cl)C[C@H]1CC[N@H+](C)C1 ZINC000071187770 176061761 /nfs/dbraw/zinc/06/17/61/176061761.db2.gz KMKIUYGFCAROQU-NSHDSACASA-N 1 0 267.804 2.306 10 0 CEAERO CN(C[C@H]1CC[N@H+](C)C1)c1cccc(Cl)c1C(N)=S ZINC000071190375 176066682 /nfs/dbraw/zinc/06/66/82/176066682.db2.gz WQDXKPJNAOYOLT-JTQLQIEISA-N 1 0 297.855 2.362 10 0 CEAERO CN(C[C@H]1CC[N@H+](C)C1)c1cc(Cl)ccc1C(N)=S ZINC000071190391 176067287 /nfs/dbraw/zinc/06/72/87/176067287.db2.gz MPAPLIDNSSCCKX-JTQLQIEISA-N 1 0 297.855 2.362 10 0 CEAERO CN(Cc1cc2ccccc2nc1N)C[C@@H]1CC[N@H+](C)C1 ZINC000071191097 176067703 /nfs/dbraw/zinc/06/77/03/176067703.db2.gz NMZNYZVQFPEWPM-CYBMUJFWSA-N 1 0 284.407 2.201 10 0 CEAERO CCNc1ccc(C(=O)N(C)C[C@H]2CC[N@H+](C)C2)cc1 ZINC000071193178 176075163 /nfs/dbraw/zinc/07/51/63/176075163.db2.gz BDHFZSRDXNHESX-ZDUSSCGKSA-N 1 0 275.396 2.142 10 0 CEAERO CCNc1c(F)cccc1C(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000071193196 176075349 /nfs/dbraw/zinc/07/53/49/176075349.db2.gz CVCWXIIEHBMPFM-LBPRGKRZSA-N 1 0 293.386 2.281 10 0 CEAERO COc1ccc(CN2CC[C@@H]([NH2+]C(C)C)C2)c(OC)c1 ZINC000071199835 176077204 /nfs/dbraw/zinc/07/72/04/176077204.db2.gz YAOXOBLOHXGRMV-CQSZACIVSA-N 1 0 278.396 2.276 10 0 CEAERO Cc1ncsc1CN1CCC[C@H]([NH2+]C2CC2)C1 ZINC000071199875 176077252 /nfs/dbraw/zinc/07/72/52/176077252.db2.gz TYRCMOUPRZUYTL-LBPRGKRZSA-N 1 0 251.399 2.168 10 0 CEAERO CCC[NH2+][C@H]1CCCN(CCc2nccs2)C1 ZINC000071200266 176077503 /nfs/dbraw/zinc/07/75/03/176077503.db2.gz MMFWEGXXDXCQTM-LBPRGKRZSA-N 1 0 253.415 2.150 10 0 CEAERO Fc1ccc(CN2CC[C@H]([NH2+]C3CC3)C2)cc1F ZINC000071200641 176077755 /nfs/dbraw/zinc/07/77/55/176077755.db2.gz OHEHSPYRGNDMAI-LBPRGKRZSA-N 1 0 252.308 2.291 10 0 CEAERO CCOC(=O)c1ncsc1NC[C@H]1CCC[N@H+](C)C1 ZINC000071202073 176078204 /nfs/dbraw/zinc/07/82/04/176078204.db2.gz ADUMKDSOQAPXSY-SNVBAGLBSA-N 1 0 283.397 2.074 10 0 CEAERO COc1cc(OC)c([C@H]2C[NH2+][C@H](C)C2)c(OC)c1 ZINC000071202256 176078304 /nfs/dbraw/zinc/07/83/04/176078304.db2.gz QUNCETRHAHGWNR-NXEZZACHSA-N 1 0 251.326 2.178 10 0 CEAERO O=c1ccc(C(F)(F)F)cn1CC[NH2+]Cc1cccnc1 ZINC000071212117 176083848 /nfs/dbraw/zinc/08/38/48/176083848.db2.gz YOZYXWKZDSOQOJ-UHFFFAOYSA-N 1 0 297.280 2.052 10 0 CEAERO COCCN(CCC(N)=[NH2+])Cc1c(F)cccc1Cl ZINC000071229061 176091379 /nfs/dbraw/zinc/09/13/79/176091379.db2.gz VFKHWIBFQAFCMQ-UHFFFAOYSA-N 1 0 287.766 2.254 10 0 CEAERO CCO[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C(N)=S)C1 ZINC000071266058 176099962 /nfs/dbraw/zinc/09/99/62/176099962.db2.gz FAOFNXURZJWVCW-CYBMUJFWSA-N 1 0 296.411 2.461 10 0 CEAERO C[C@H]1C[N@H+](Cc2ccc(F)cc2C(N)=S)CCCO1 ZINC000071266268 176100178 /nfs/dbraw/zinc/10/01/78/176100178.db2.gz HFBXZCNWKDJHHM-JTQLQIEISA-N 1 0 282.384 2.071 10 0 CEAERO CCOC(=O)CCCCC[NH2+][C@@H]1CCCC[C@@H]1O ZINC000071297289 176112257 /nfs/dbraw/zinc/11/22/57/176112257.db2.gz DUJOLILZHVOPDG-OLZOCXBDSA-N 1 0 257.374 2.003 10 0 CEAERO CCOC(=O)CCCCC[N@@H+]1CCC[C@@H](C(=O)OCC)C1 ZINC000071297909 176112603 /nfs/dbraw/zinc/11/26/03/176112603.db2.gz KYHQLSFXATZJAX-CQSZACIVSA-N 1 0 299.411 2.385 10 0 CEAERO c1cc2c(cc1[C@H]1C[NH2+]C[C@H](C3CC3)O1)OCCCO2 ZINC000071308803 176116396 /nfs/dbraw/zinc/11/63/96/176116396.db2.gz FYFJELGSCHXVIB-HZPDHXFCSA-N 1 0 275.348 2.287 10 0 CEAERO COc1ccc([C@@H](C)N(C)[C@@H]2CC[NH2+]C2)cc1OC ZINC000071309353 176116871 /nfs/dbraw/zinc/11/68/71/176116871.db2.gz GBXBKMGJDCKRGR-DGCLKSJQSA-N 1 0 264.369 2.059 10 0 CEAERO CCN(CC(=O)N(C(C)C)C1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000071313012 176119559 /nfs/dbraw/zinc/11/95/59/176119559.db2.gz APKXEHLLFWWMSL-MRXNPFEDSA-N 1 0 295.471 2.240 10 0 CEAERO CCN(CC(=O)N(CC)c1ccccc1C)[C@H]1CC[NH2+]C1 ZINC000071313043 176119588 /nfs/dbraw/zinc/11/95/88/176119588.db2.gz XFPFLPIOSSPWEQ-HNNXBMFYSA-N 1 0 289.423 2.032 10 0 CEAERO CCN(Cc1ccc2ncccc2c1)[C@@H]1CC[NH2+]C1 ZINC000071314006 176120569 /nfs/dbraw/zinc/12/05/69/176120569.db2.gz JTRMJTZNSUEVSR-OAHLLOKOSA-N 1 0 255.365 2.419 10 0 CEAERO CC(C)C[C@@H]1CSC(NCc2ccnn2C)=[NH+]1 ZINC000071334631 176126572 /nfs/dbraw/zinc/12/65/72/176126572.db2.gz LCMSGQGDUKNHHB-SNVBAGLBSA-N 1 0 252.387 2.027 10 0 CEAERO C[C@@H]1CCC[NH2+][C@H]1CNC(=O)C(C)(C)c1ccccc1 ZINC000071338654 176129132 /nfs/dbraw/zinc/12/91/32/176129132.db2.gz PWWCOHSCSIKNAN-HIFRSBDPSA-N 1 0 274.408 2.469 10 0 CEAERO CC1(C)C[N@H+](CCCOCC(F)(F)F)[C@H](C2CC2)CN1 ZINC000071342804 176130232 /nfs/dbraw/zinc/13/02/32/176130232.db2.gz CCGUCRDMMMCAAQ-LBPRGKRZSA-N 1 0 294.361 2.418 10 0 CEAERO CC[C@H]1C[N@H+](CCCn2ccnc2)[C@H](C(C)(C)C)CN1 ZINC000071344219 176130767 /nfs/dbraw/zinc/13/07/67/176130767.db2.gz ILKXSPKUAWVETG-GJZGRUSLSA-N 1 0 278.444 2.372 10 0 CEAERO Cc1cccnc1C[NH2+]C[C@@H](O)c1ccccc1F ZINC000071344129 176130988 /nfs/dbraw/zinc/13/09/88/176130988.db2.gz AHXXIQFSASZBKP-OAHLLOKOSA-N 1 0 260.312 2.352 10 0 CEAERO CC[C@H]1CN(Cc2cn3ccccc3n2)C(C)(C)C[NH2+]1 ZINC000071344808 176131681 /nfs/dbraw/zinc/13/16/81/176131681.db2.gz HNESXVAAFOFQQJ-ZDUSSCGKSA-N 1 0 272.396 2.297 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1Cc1cnn(C)c1 ZINC000071347135 176132181 /nfs/dbraw/zinc/13/21/81/176132181.db2.gz LAWQQNBSBMAXCR-GJZGRUSLSA-N 1 0 278.444 2.265 10 0 CEAERO CC(C)(C)[C@@H]1CN(Cc2ncccn2)[C@](C)(C2CC2)C[NH2+]1 ZINC000071349116 176132741 /nfs/dbraw/zinc/13/27/41/176132741.db2.gz DQLXIGFCADZPSY-YOEHRIQHSA-N 1 0 288.439 2.465 10 0 CEAERO OCCN1CCC[N@H+](CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000071350424 176133622 /nfs/dbraw/zinc/13/36/22/176133622.db2.gz FHBXUCCLOBDCKP-UHFFFAOYSA-N 1 0 292.467 2.203 10 0 CEAERO Nc1ccn(CCC[N@@H+]2CCCc3ccccc3C2)n1 ZINC000071352535 176135345 /nfs/dbraw/zinc/13/53/45/176135345.db2.gz FHPCAYYVGSWYET-UHFFFAOYSA-N 1 0 270.380 2.304 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](Cc2ccccc2)CN1Cc1cccnc1 ZINC000071352655 176135787 /nfs/dbraw/zinc/13/57/87/176135787.db2.gz YBKBMFFPUFDXOU-QAPCUYQASA-N 1 0 281.403 2.487 10 0 CEAERO CC[C@H](C)[C@@H]1CN(Cc2cnn(C)c2)[C@H](C2CC2)C[NH2+]1 ZINC000071355397 176137037 /nfs/dbraw/zinc/13/70/37/176137037.db2.gz HOYUTHVPPQSTKZ-RCBQFDQVSA-N 1 0 276.428 2.019 10 0 CEAERO CCCn1c(C[NH3+])nnc1SCc1ccc(OC)cc1 ZINC000071375110 176140492 /nfs/dbraw/zinc/14/04/92/176140492.db2.gz ALZZKZHNXROVTP-UHFFFAOYSA-N 1 0 292.408 2.448 10 0 CEAERO CCOCCN(CC)c1nc2ccccc2cc1C(N)=[NH2+] ZINC000071390239 176148545 /nfs/dbraw/zinc/14/85/45/176148545.db2.gz JNMPRGUIZLBADO-UHFFFAOYSA-N 1 0 286.379 2.382 10 0 CEAERO COCC[NH2+]Cc1ccc(OC)c(C(F)(F)F)c1 ZINC000071398859 176151867 /nfs/dbraw/zinc/15/18/67/176151867.db2.gz YJMHZMYXCIXSAG-UHFFFAOYSA-N 1 0 263.259 2.450 10 0 CEAERO CCCc1cc(C(C)C)nc(N2CCC[NH2+]CC2)n1 ZINC000071398131 176151900 /nfs/dbraw/zinc/15/19/00/176151900.db2.gz SAGYWXJONLVXHZ-UHFFFAOYSA-N 1 0 262.401 2.352 10 0 CEAERO CCC[NH2+]Cc1cc(C)ccc1O[C@H](C)C(=O)N(C)C ZINC000071406313 176155958 /nfs/dbraw/zinc/15/59/58/176155958.db2.gz NUSAMAKQMKUIFO-CYBMUJFWSA-N 1 0 278.396 2.350 10 0 CEAERO CCCNC(=O)[C@@H](C)Oc1ccc(C)cc1C[C@@H](C)[NH3+] ZINC000071411699 176157107 /nfs/dbraw/zinc/15/71/07/176157107.db2.gz POMATQPAORMAEU-CHWSQXEVSA-N 1 0 278.396 2.178 10 0 CEAERO CC[C@H]([NH3+])Cc1cc(C)ccc1OCC(=O)NC(C)C ZINC000071412198 176157479 /nfs/dbraw/zinc/15/74/79/176157479.db2.gz PIDKZNFWFQTLEV-AWEZNQCLSA-N 1 0 278.396 2.178 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc(C)ccc1O[C@@H](C)C(=O)N(C)C ZINC000071412102 176157671 /nfs/dbraw/zinc/15/76/71/176157671.db2.gz SACJRBOGDJOYLU-GXTWGEPZSA-N 1 0 278.396 2.130 10 0 CEAERO CC[NH+](CC)CCn1cc(C)cc(Br)c1=O ZINC000071517738 176194219 /nfs/dbraw/zinc/19/42/19/176194219.db2.gz MPKJBUJYOODWOO-UHFFFAOYSA-N 1 0 287.201 2.261 10 0 CEAERO CC[C@H]([NH2+]C)C(=O)c1cc(OC)c(C)cc1OC ZINC000071573172 176199585 /nfs/dbraw/zinc/19/95/85/176199585.db2.gz ANBCEBLPRGXBPI-NSHDSACASA-N 1 0 251.326 2.193 10 0 CEAERO COc1ccc(Cn2ccc(CC[NH3+])c2)cc1OC ZINC000071586450 176212762 /nfs/dbraw/zinc/21/27/62/176212762.db2.gz KEHJPVRPGAEHKZ-UHFFFAOYSA-N 1 0 260.337 2.055 10 0 CEAERO CCOc1ccc(CC[C@@H](O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000071596028 176219376 /nfs/dbraw/zinc/21/93/76/176219376.db2.gz LQPILNAAJGORIM-GDBMZVCRSA-N 1 0 263.381 2.378 10 0 CEAERO COc1cccc(-c2nc(COCC[NH3+])cs2)c1 ZINC000071596800 176220212 /nfs/dbraw/zinc/22/02/12/176220212.db2.gz GIICMRUNKZQZQG-UHFFFAOYSA-N 1 0 264.350 2.294 10 0 CEAERO Cc1nn(-c2nc3ccccc3[nH]2)c(C)c1[C@H](C)[NH3+] ZINC000072415729 176399845 /nfs/dbraw/zinc/39/98/45/176399845.db2.gz VUAZFJYBHIDIHR-QMMMGPOBSA-N 1 0 255.325 2.385 10 0 CEAERO O=c1[nH]ncc(N2CCC([C@@H]3CCC[NH2+]C3)CC2)c1Cl ZINC000656608263 415785547 /nfs/dbraw/zinc/78/55/47/415785547.db2.gz ILSGKDLPOQXGRZ-LLVKDONJSA-N 1 0 296.802 2.052 10 0 CEAERO [NH3+]C1(CNc2nnc(C(F)(F)F)s2)CCCC1 ZINC000656610424 415787083 /nfs/dbraw/zinc/78/70/83/415787083.db2.gz FNGQAISCWZSDRK-UHFFFAOYSA-N 1 0 266.292 2.240 10 0 CEAERO COc1cccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1C ZINC000662405230 415828395 /nfs/dbraw/zinc/82/83/95/415828395.db2.gz LCAITAPEECMKLB-FUNVUKJBSA-N 1 0 274.364 2.016 10 0 CEAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CCC[C@H](C3CCC3)C2)C1 ZINC000662715722 415942349 /nfs/dbraw/zinc/94/23/49/415942349.db2.gz PDDXMOKMLANDKY-MELADBBJSA-N 1 0 250.386 2.153 10 0 CEAERO COCCOc1ccc(-c2cc(C[NH3+])c(C)[nH]2)cc1 ZINC000076325184 176989231 /nfs/dbraw/zinc/98/92/31/176989231.db2.gz ODMDHHZZMDDAMP-UHFFFAOYSA-N 1 0 260.337 2.474 10 0 CEAERO C[NH2+]CCC(=O)N[C@H](C)c1cc(C)cc(C)c1OC ZINC000076369150 177006476 /nfs/dbraw/zinc/00/64/76/177006476.db2.gz BGQWHCLIQSDWGU-GFCCVEGCSA-N 1 0 264.369 2.099 10 0 CEAERO CCOc1ccc(N(C)C(=O)C[NH2+]C(C)C)cc1F ZINC000076399079 177016325 /nfs/dbraw/zinc/01/63/25/177016325.db2.gz RKHYHPJAUZNWCP-UHFFFAOYSA-N 1 0 268.332 2.185 10 0 CEAERO [NH3+]CC1(C(=O)Nc2cccc(Br)c2)CC1 ZINC000076401837 177017396 /nfs/dbraw/zinc/01/73/96/177017396.db2.gz XSDDVVDQBVVHRE-UHFFFAOYSA-N 1 0 269.142 2.127 10 0 CEAERO COc1ccccc1N(CCC(C)C)C(=O)C[NH3+] ZINC000076654895 177045179 /nfs/dbraw/zinc/04/51/79/177045179.db2.gz OOIDFVZGNWCHEX-UHFFFAOYSA-N 1 0 250.342 2.033 10 0 CEAERO CC(C)NC(=O)CC[C@@H](C[NH3+])c1ccccc1F ZINC000076656706 177046114 /nfs/dbraw/zinc/04/61/14/177046114.db2.gz LEKJRJXNFSKJBE-NSHDSACASA-N 1 0 252.333 2.173 10 0 CEAERO COc1ccc(F)cc1CN(CC[NH3+])C(C)(C)C ZINC000076658251 177046930 /nfs/dbraw/zinc/04/69/30/177046930.db2.gz IRJMKRKAEVZCHR-UHFFFAOYSA-N 1 0 254.349 2.394 10 0 CEAERO CCNC(=O)CC[C@H](C[NH3+])c1ccccc1Cl ZINC000076659013 177047415 /nfs/dbraw/zinc/04/74/15/177047415.db2.gz ASZWQTIUCUHSIQ-SNVBAGLBSA-N 1 0 254.761 2.299 10 0 CEAERO COc1ccc([C@H](CC[NH3+])C(=O)NC(C)(C)C)cc1 ZINC000076679951 177057885 /nfs/dbraw/zinc/05/78/85/177057885.db2.gz UYJRDNZKIVHFKA-ZDUSSCGKSA-N 1 0 264.369 2.042 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@H](C[NH3+])C[C@@H]2C1 ZINC000076695447 177059952 /nfs/dbraw/zinc/05/99/52/177059952.db2.gz WHJSTMPQNXUSLD-IJLUTSLNSA-N 1 0 254.374 2.228 10 0 CEAERO CC(C)CNC(=O)C[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000077170200 177229247 /nfs/dbraw/zinc/22/92/47/177229247.db2.gz IYPONOVEDBSOBO-UHFFFAOYSA-N 1 0 278.396 2.336 10 0 CEAERO C[NH2+][C@H](C)CC(=O)Nc1ccc(OC(C)C)cc1 ZINC000077431954 177267564 /nfs/dbraw/zinc/26/75/64/177267564.db2.gz OGAASTJVPUSAQI-LLVKDONJSA-N 1 0 250.342 2.410 10 0 CEAERO C[C@@H](CC[NH3+])CCC(=O)N1CCc2sccc2C1 ZINC000079077726 177429552 /nfs/dbraw/zinc/42/95/52/177429552.db2.gz BWERZRIOPXQTBM-LLVKDONJSA-N 1 0 266.410 2.398 10 0 CEAERO COC(=O)c1sccc1NC(=O)CC[C@H](C)CC[NH3+] ZINC000079119446 177437029 /nfs/dbraw/zinc/43/70/29/177437029.db2.gz XDCLFVLTEMRGFX-VIFPVBQESA-N 1 0 284.381 2.238 10 0 CEAERO CC[C@@H](CC[NH3+])CCC(=O)Nc1cccnc1OC ZINC000079208995 177446552 /nfs/dbraw/zinc/44/65/52/177446552.db2.gz DXHDPVKQKMAIEP-LLVKDONJSA-N 1 0 265.357 2.184 10 0 CEAERO CC[C@H](CC[NH3+])CCC(=O)N(C)CCc1ccncc1 ZINC000079209371 177446769 /nfs/dbraw/zinc/44/67/69/177446769.db2.gz CPIDKINNQKVJIH-AWEZNQCLSA-N 1 0 277.412 2.238 10 0 CEAERO CCC[C@H](CC[NH3+])CCc1nc(C[C@@H]2CCCO2)no1 ZINC000079231994 177452226 /nfs/dbraw/zinc/45/22/26/177452226.db2.gz HFXPARLAYBVVNF-STQMWFEESA-N 1 0 281.400 2.489 10 0 CEAERO CCC[C@@H](CC[NH3+])CCC(=O)NCC(F)(F)F ZINC000079235629 177452729 /nfs/dbraw/zinc/45/27/29/177452729.db2.gz HIIDSZWIFDLCBL-SECBINFHSA-N 1 0 254.296 2.210 10 0 CEAERO CCC[C@H](CC[NH3+])CCC(=O)Nc1ccccc1C(N)=O ZINC000079235613 177452984 /nfs/dbraw/zinc/45/29/84/177452984.db2.gz KRQVHLXAQDRDAR-LBPRGKRZSA-N 1 0 291.395 2.269 10 0 CEAERO Cc1noc(-c2ccccc2NC(=O)[C@@]2(C)CCC[NH2+]2)n1 ZINC000079513280 177510822 /nfs/dbraw/zinc/51/08/22/177510822.db2.gz IOQQEUQWEPKVPH-OAHLLOKOSA-N 1 0 286.335 2.126 10 0 CEAERO COc1ccccc1[C@@H](C)N(C)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079517171 177512817 /nfs/dbraw/zinc/51/28/17/177512817.db2.gz FMIICOSQHXMBEN-MLGOLLRUSA-N 1 0 276.380 2.357 10 0 CEAERO CCOc1cccc(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])c1 ZINC000079528182 177516278 /nfs/dbraw/zinc/51/62/78/177516278.db2.gz MEXJVPAVJYGFLB-PKIAMQTDSA-N 1 0 274.364 2.397 10 0 CEAERO [NH3+][C@H]1CCCCC[C@@H]1NC(=O)c1ccc(Cl)cn1 ZINC000079730530 177544979 /nfs/dbraw/zinc/54/49/79/177544979.db2.gz NORKTBJAKJNUIF-QWRGUYRKSA-N 1 0 267.760 2.125 10 0 CEAERO CCCNC(=O)N(CC)[C@@]1(C[NH3+])CCC[C@H](C)C1 ZINC000079869030 177572767 /nfs/dbraw/zinc/57/27/67/177572767.db2.gz URUCDTOWFBCGEP-JSGCOSHPSA-N 1 0 255.406 2.336 10 0 CEAERO CCN(C(=O)NC1CC1)[C@@]1(C[NH3+])CCC[C@H](C)C1 ZINC000079869096 177573023 /nfs/dbraw/zinc/57/30/23/177573023.db2.gz IUFKBNZIIPCXHY-FZMZJTMJSA-N 1 0 253.390 2.088 10 0 CEAERO COc1cc(OC)c([C@@H]2OCCC[C@@H]2C[NH3+])c(OC)c1 ZINC000079898962 177577947 /nfs/dbraw/zinc/57/79/47/177577947.db2.gz LHVSYWRWCGZWBD-MEBBXXQBSA-N 1 0 281.352 2.139 10 0 CEAERO Cc1c(C)n(CCCS(C)(=O)=O)c2ccc(C[NH3+])cc12 ZINC000080051537 177603375 /nfs/dbraw/zinc/60/33/75/177603375.db2.gz MJXVAMJUENEFPD-UHFFFAOYSA-N 1 0 294.420 2.152 10 0 CEAERO CCC[NH2+]Cc1cn(CCS(C)(=O)=O)c2ccccc12 ZINC000080066341 177604686 /nfs/dbraw/zinc/60/46/86/177604686.db2.gz ZKFGEHDHFVJGBY-UHFFFAOYSA-N 1 0 294.420 2.186 10 0 CEAERO COc1ccccc1Cn1nccc1C[NH2+]C(C)C ZINC000080092889 177606506 /nfs/dbraw/zinc/60/65/06/177606506.db2.gz JLRXLWHOKNUIFD-UHFFFAOYSA-N 1 0 259.353 2.438 10 0 CEAERO C[C@H]1CN(C(=O)c2cccc(C(C)(C)C)c2)C[C@H]1[NH3+] ZINC000567406375 299061843 /nfs/dbraw/zinc/06/18/43/299061843.db2.gz IZXZUKHFKXOFEN-SMDDNHRTSA-N 1 0 260.381 2.403 10 0 CEAERO [NH3+][C@H]1CCCN(C(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)C1 ZINC000135211365 419438531 /nfs/dbraw/zinc/43/85/31/419438531.db2.gz HOECSACDLSXNHO-HBNTYKKESA-N 1 0 278.318 2.305 10 0 CEAERO C[C@@]1(C(=O)Nc2cccc(F)c2F)CCCC[NH2+]1 ZINC000136158203 419441575 /nfs/dbraw/zinc/44/15/75/419441575.db2.gz IJRHQCYHBVCAAM-ZDUSSCGKSA-N 1 0 254.280 2.436 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000136347305 419443199 /nfs/dbraw/zinc/44/31/99/419443199.db2.gz INVGFKZKLBNAOC-YPMHNXCESA-N 1 0 292.379 2.008 10 0 CEAERO Cc1cccc(N2CCN(C(=O)C[C@@H]([NH3+])C(C)C)CC2)c1 ZINC000136300675 419443852 /nfs/dbraw/zinc/44/38/52/419443852.db2.gz BRZSIUJSRSVTOX-MRXNPFEDSA-N 1 0 289.423 2.017 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000136354995 419444578 /nfs/dbraw/zinc/44/45/78/419444578.db2.gz OQHFDERBCDAKAB-ZDUSSCGKSA-N 1 0 272.352 2.389 10 0 CEAERO Cc1ccc(NC(=O)C[C@@H]([NH3+])C(C)C)c(C)c1O ZINC000136353016 419445039 /nfs/dbraw/zinc/44/50/39/419445039.db2.gz OVWWGNNWESZVEK-LLVKDONJSA-N 1 0 250.342 2.321 10 0 CEAERO CCN(Cc1cccs1)C(=O)C[C@H]([NH3+])C(C)C ZINC000136385155 419446551 /nfs/dbraw/zinc/44/65/51/419446551.db2.gz CQPLIYJDKMIJGV-LBPRGKRZSA-N 1 0 254.399 2.470 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)Nc1cc(F)c(F)cc1F ZINC000136453603 419447728 /nfs/dbraw/zinc/44/77/28/419447728.db2.gz YWWQETURXHOPNI-SNVBAGLBSA-N 1 0 260.259 2.416 10 0 CEAERO CCc1nc(NC(=O)C[C@H]([NH3+])C(C)C)sc1C ZINC000136440310 419448545 /nfs/dbraw/zinc/44/85/45/419448545.db2.gz ZCUQUSSPIDTODF-VIFPVBQESA-N 1 0 255.387 2.326 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1NCc1ccnc2ccccc12 ZINC000666885656 419455803 /nfs/dbraw/zinc/45/58/03/419455803.db2.gz KNDXLEMACNSNEF-IUODEOHRSA-N 1 0 255.365 2.465 10 0 CEAERO Brc1cnn(C2CC[NH+](C3CC3)CC2)c1 ZINC000201292841 419457468 /nfs/dbraw/zinc/45/74/68/419457468.db2.gz YOYNQDHYPMSYCO-UHFFFAOYSA-N 1 0 270.174 2.445 10 0 CEAERO CN(C)C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1ccccc1 ZINC000667770093 419797005 /nfs/dbraw/zinc/79/70/05/419797005.db2.gz OMTFDPQIHLWBMA-ULQDDVLXSA-N 1 0 274.408 2.446 10 0 CEAERO CC[C@@H](COC)[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C ZINC000180518939 260104385 /nfs/dbraw/zinc/10/43/85/260104385.db2.gz FVBLYMMGABDVNI-NEPJUHHUSA-N 1 0 274.405 2.304 10 0 CEAERO CCN(CCC[NH+](CC)CC)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000190128174 270267484 /nfs/dbraw/zinc/26/74/84/270267484.db2.gz QLWZEWRKFUWDHD-GJZGRUSLSA-N 1 0 299.459 2.317 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(C)c(F)c2)C1 ZINC000194311184 270295844 /nfs/dbraw/zinc/29/58/44/270295844.db2.gz AUEPNRXTXMMRGK-AWEZNQCLSA-N 1 0 293.386 2.418 10 0 CEAERO CCC[C@@H](C(=O)NCC1(SC)CCC1)[NH+](C)C ZINC000194620349 270301480 /nfs/dbraw/zinc/30/14/80/270301480.db2.gz YDPRBPCUXRKHHF-NSHDSACASA-N 1 0 258.431 2.119 10 0 CEAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCC(=O)N1CCOCC1 ZINC000225650132 270309587 /nfs/dbraw/zinc/30/95/87/270309587.db2.gz OLMBVRNLJKARAI-PMPSAXMXSA-N 1 0 296.455 2.286 10 0 CEAERO Cc1ccc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)c(Cl)c1 ZINC000392928462 270341631 /nfs/dbraw/zinc/34/16/31/270341631.db2.gz NQTWQJZERBWJTH-MFKMUULPSA-N 1 0 266.772 2.405 10 0 CEAERO Cc1sc2ncnc(N(C)C3CC([NH3+])C3)c2c1C ZINC000395059882 270344652 /nfs/dbraw/zinc/34/46/52/270344652.db2.gz USCAKNKIWKWNKK-UHFFFAOYSA-N 1 0 262.382 2.234 10 0 CEAERO CC[C@@](C)(O)C[N@@H+]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000396483227 270349911 /nfs/dbraw/zinc/34/99/11/270349911.db2.gz MXRJQVLRLUUPLC-NVXWUHKLSA-N 1 0 276.424 2.354 10 0 CEAERO Cc1nc(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)cs1 ZINC000398721233 270362104 /nfs/dbraw/zinc/36/21/04/270362104.db2.gz RXMDKKPRUWBTAM-GVXVVHGQSA-N 1 0 252.383 2.044 10 0 CEAERO COCC[NH+]1[C@H](C)CN(c2nc3ccccc3[nH]2)C[C@H]1C ZINC000301900243 274035174 /nfs/dbraw/zinc/03/51/74/274035174.db2.gz YXYYECBEGWJLAC-CHWSQXEVSA-N 1 0 288.395 2.108 10 0 CEAERO C[C@H]1CN(c2cccc(C(F)(F)F)n2)CC[C@@H]1[NH3+] ZINC000094342655 274595393 /nfs/dbraw/zinc/59/53/93/274595393.db2.gz QBAJBTVJGRHWCH-IUCAKERBSA-N 1 0 259.275 2.274 10 0 CEAERO Cc1sc2ncnc(N3C[C@@H](C)[C@H]([NH3+])C3)c2c1C ZINC000261551487 274879523 /nfs/dbraw/zinc/87/95/23/274879523.db2.gz VZHVBKSMGUAJHM-GMSGAONNSA-N 1 0 262.382 2.092 10 0 CEAERO O=C(C[C@@H]1CSCC[NH2+]1)N[C@H]1CCCc2ccccc21 ZINC000091134575 274977290 /nfs/dbraw/zinc/97/72/90/274977290.db2.gz CAFHXVBNTHDEQR-HIFRSBDPSA-N 1 0 290.432 2.275 10 0 CEAERO O=C(N[C@@H]1CCCc2cc(F)ccc21)C1CC[NH2+]CC1 ZINC000237718833 274984346 /nfs/dbraw/zinc/98/43/46/274984346.db2.gz YRCJXWLIXOLZFJ-OAHLLOKOSA-N 1 0 276.355 2.319 10 0 CEAERO CCC[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)[NH+](C)C ZINC000179334058 276021599 /nfs/dbraw/zinc/02/15/99/276021599.db2.gz JOQUTFPJNAHLIN-KGLIPLIRSA-N 1 0 276.380 2.357 10 0 CEAERO CC(C)[C@H]1CCO[C@H]1C(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000335869497 276028351 /nfs/dbraw/zinc/02/83/51/276028351.db2.gz WLKDQHWKSYTHQN-HUUCEWRRSA-N 1 0 294.439 2.134 10 0 CEAERO CC[N@H+](C)[C@H]1CCN(c2nccc(C(F)(F)F)n2)C1 ZINC000302756429 276078759 /nfs/dbraw/zinc/07/87/59/276078759.db2.gz IRVRHYPIZOKGOV-VIFPVBQESA-N 1 0 274.290 2.026 10 0 CEAERO CCN(CC)C(=O)[C@@H](C)[NH2+][C@H]1CCc2c1cccc2O ZINC000037126705 276091461 /nfs/dbraw/zinc/09/14/61/276091461.db2.gz PAJOAOUZMVGTEX-RISCZKNCSA-N 1 0 276.380 2.226 10 0 CEAERO CC1(C)CCC[C@H]1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000174980195 276111242 /nfs/dbraw/zinc/11/12/42/276111242.db2.gz HJWPOUDKFRXCAN-CHWSQXEVSA-N 1 0 265.401 2.055 10 0 CEAERO CCCCOC[C@@H](O)C[N@@H+]1CCN(C)CC12CCCCC2 ZINC000195181498 276238033 /nfs/dbraw/zinc/23/80/33/276238033.db2.gz HMWNRLHNMHFCFP-INIZCTEOSA-N 1 0 298.471 2.114 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccc2c(c1)OCCO2 ZINC000177715185 276377563 /nfs/dbraw/zinc/37/75/63/276377563.db2.gz UHCWASODDBOVKS-HNNXBMFYSA-N 1 0 290.407 2.374 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCn3nc(CC)nc32)C1(C)C ZINC000245957999 276482214 /nfs/dbraw/zinc/48/22/14/276482214.db2.gz XPTDHCFXBLJZPH-RWMBFGLXSA-N 1 0 292.427 2.469 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccccc2C(F)(F)F)C1 ZINC000170856457 276783293 /nfs/dbraw/zinc/78/32/93/276783293.db2.gz FYCWCPXHSMZHMN-SNVBAGLBSA-N 1 0 286.297 2.482 10 0 CEAERO CN1CCO[C@H](C[NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)C1 ZINC000123493517 277128151 /nfs/dbraw/zinc/12/81/51/277128151.db2.gz KQAXZEATEQJHIV-IKGGRYGDSA-N 1 0 288.435 2.489 10 0 CEAERO COC(=O)[C@H](CC(C)C)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000351877216 277383301 /nfs/dbraw/zinc/38/33/01/277383301.db2.gz BCIKBAZGCWGILQ-IJEWVQPXSA-N 1 0 283.412 2.201 10 0 CEAERO COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CCc2ncnn2C1 ZINC000180601453 277883394 /nfs/dbraw/zinc/88/33/94/277883394.db2.gz HHBHRGRNPTTYRA-STQMWFEESA-N 1 0 286.379 2.261 10 0 CEAERO COc1ccc([C@@H](C)[NH2+][C@@H]2CCc3ncnn3C2)cc1F ZINC000180605785 277924981 /nfs/dbraw/zinc/92/49/81/277924981.db2.gz PKVJOEHKPROTOR-ZYHUDNBSSA-N 1 0 290.342 2.091 10 0 CEAERO COc1ccccc1C[C@@H](C)[NH2+]CCn1cc(C)cn1 ZINC000124064336 278050592 /nfs/dbraw/zinc/05/05/92/278050592.db2.gz DVKJLNDVTIYSHC-CQSZACIVSA-N 1 0 273.380 2.421 10 0 CEAERO CC1(C)C(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1(C)C ZINC000092818297 278183279 /nfs/dbraw/zinc/18/32/79/278183279.db2.gz OUJWXOQFSSZWNG-WOPDTQHZSA-N 1 0 264.413 2.458 10 0 CEAERO C[C@@H]1CCN(c2ncnc3sccc32)[C@@H](C[NH3+])C1 ZINC000235383290 278560134 /nfs/dbraw/zinc/56/01/34/278560134.db2.gz SDCYYQKLMJAHAW-NXEZZACHSA-N 1 0 262.382 2.255 10 0 CEAERO C[C@@H]1CC[C@@H](C(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)O1 ZINC000246008901 278575405 /nfs/dbraw/zinc/57/54/05/278575405.db2.gz KTVYNOVLIDXPKI-INWMFGNUSA-N 1 0 288.391 2.073 10 0 CEAERO CCC[NH2+]CCNC(=O)[C@H]1CCCO[C@H]1c1ccccc1 ZINC000054263865 278841314 /nfs/dbraw/zinc/84/13/14/278841314.db2.gz UFWWQIITXJTDFW-HOTGVXAUSA-N 1 0 290.407 2.270 10 0 CEAERO CC(C)C[C@H](C)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000184790553 279086901 /nfs/dbraw/zinc/08/69/01/279086901.db2.gz UTWKAVUZQQZQBK-MELADBBJSA-N 1 0 252.402 2.364 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)N[C@H](C)c1nccn1C ZINC000070444935 279133957 /nfs/dbraw/zinc/13/39/57/279133957.db2.gz QBVVOKYRMZFSGG-CHWSQXEVSA-N 1 0 252.406 2.047 10 0 CEAERO C[C@H](C(=O)N1CC[C@@H](C)c2ccccc21)C1C[NH2+]C1 ZINC000261580480 279203029 /nfs/dbraw/zinc/20/30/29/279203029.db2.gz FKDIBXKKSNGVSL-NEPJUHHUSA-N 1 0 258.365 2.382 10 0 CEAERO C[C@H](C(=O)N1CCc2sccc2[C@H]1C)C1C[NH2+]C1 ZINC000164316561 279208516 /nfs/dbraw/zinc/20/85/16/279208516.db2.gz KZHWQNPGVUMQFR-VHSXEESVSA-N 1 0 264.394 2.049 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc2ncccc2c1 ZINC000061883776 279652897 /nfs/dbraw/zinc/65/28/97/279652897.db2.gz DSPRPPKTHVOCCF-HIFRSBDPSA-N 1 0 269.348 2.092 10 0 CEAERO CN(c1ncccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000103994828 279721129 /nfs/dbraw/zinc/72/11/29/279721129.db2.gz IVVBQFSDKNFBBI-ZACCUICWSA-N 1 0 251.761 2.454 10 0 CEAERO O=C(N[C@H]1CCC12CCCC2)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000336540816 279950276 /nfs/dbraw/zinc/95/02/76/279950276.db2.gz BWASUKNXFSMWEZ-GJZGRUSLSA-N 1 0 289.423 2.365 10 0 CEAERO CCN(CC)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000134166891 280014553 /nfs/dbraw/zinc/01/45/53/280014553.db2.gz GJQWHCFPMCDTNI-CYBMUJFWSA-N 1 0 255.406 2.016 10 0 CEAERO CCO[C@@H](C(=O)N[C@H]1CCC[N@H+](CC)C1)c1ccccc1 ZINC000142192298 280075543 /nfs/dbraw/zinc/07/55/43/280075543.db2.gz UAQNUJPXBIJBIH-JKSUJKDBSA-N 1 0 290.407 2.365 10 0 CEAERO CCc1cccc(CN2CC[NH+](C[C@H](O)CC)CC2)c1 ZINC000189449125 280149887 /nfs/dbraw/zinc/14/98/87/280149887.db2.gz HUADESYGXMUZHO-QGZVFWFLSA-N 1 0 276.424 2.138 10 0 CEAERO COc1cccc2c1CCC[C@H]2[NH2+][C@@H]1CCc2ncnn2C1 ZINC000194921783 280199201 /nfs/dbraw/zinc/19/92/01/280199201.db2.gz NEWRQXXGIROJJU-IUODEOHRSA-N 1 0 298.390 2.269 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC1C[C@@H](C)O[C@H](C)C1 ZINC000245753466 280259667 /nfs/dbraw/zinc/25/96/67/280259667.db2.gz ZBNXWOABJXGYJY-UMVBOHGHSA-N 1 0 297.443 2.068 10 0 CEAERO C[C@@H]1CCC[C@@H](C)C1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000246120520 280275187 /nfs/dbraw/zinc/27/51/87/280275187.db2.gz VFQGTBBTNGLRIB-JHJVBQTASA-N 1 0 267.417 2.157 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@]2(C)CCCS2)C1 ZINC000246479311 280296304 /nfs/dbraw/zinc/29/63/04/280296304.db2.gz GOAGZORNPJMXMP-NFAWXSAZSA-N 1 0 299.484 2.300 10 0 CEAERO CC[C@@H]1CN(C(=O)CCC2CCCC2)CC[N@@H+]1C[C@H](C)O ZINC000247036056 280318539 /nfs/dbraw/zinc/31/85/39/280318539.db2.gz XRMKWEZOXZUNKZ-GOEBONIOSA-N 1 0 296.455 2.260 10 0 CEAERO Cc1cc(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)c2ccccc2n1 ZINC000261839064 280334162 /nfs/dbraw/zinc/33/41/62/280334162.db2.gz VNUUHWCTOCAPPO-BXUZGUMPSA-N 1 0 269.348 2.105 10 0 CEAERO C[C@@H]1CC[C@H](C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)O1 ZINC000248122545 280342369 /nfs/dbraw/zinc/34/23/69/280342369.db2.gz UOWXUKLHDTYIQL-SLBVQIDZSA-N 1 0 288.391 2.116 10 0 CEAERO C[C@@H](NC(=O)[C@H]1CC[C@@H](C)O1)[C@@H](c1ccccc1)[NH+](C)C ZINC000248627081 280356086 /nfs/dbraw/zinc/35/60/86/280356086.db2.gz FCCJGCQIOIDPCA-XOUADPBQSA-N 1 0 290.407 2.362 10 0 CEAERO C[C@H](Cc1ccccc1)C[N@@H+]1CCCNC(=O)[C@H]1C ZINC000248952543 280375415 /nfs/dbraw/zinc/37/54/15/280375415.db2.gz DEXWWBPJJLAQKA-ZIAGYGMSSA-N 1 0 260.381 2.076 10 0 CEAERO O=[S@](C[C@H]1CCCC[NH2+]1)c1nc2ccccc2o1 ZINC000095073503 280384190 /nfs/dbraw/zinc/38/41/90/280384190.db2.gz MNYXXQCZSJXPCO-MGNBDDOMSA-N 1 0 264.350 2.078 10 0 CEAERO Cc1nccnc1[C@H](C)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000249168741 280387326 /nfs/dbraw/zinc/38/73/26/280387326.db2.gz ABIIGJJCWJRWAE-XBFCOCLRSA-N 1 0 262.401 2.164 10 0 CEAERO CC[C@H](C)[C@@H](C)NC(=O)NC[C@H](C)[NH+](CC)CC ZINC000249765229 280417765 /nfs/dbraw/zinc/41/77/65/280417765.db2.gz IEBHQLQBTJGORK-RWMBFGLXSA-N 1 0 257.422 2.451 10 0 CEAERO COc1ccc(F)cc1C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262106834 280533209 /nfs/dbraw/zinc/53/32/09/280533209.db2.gz VIOHWNOKVVVVER-ZDUSSCGKSA-N 1 0 280.343 2.034 10 0 CEAERO Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2[NH3+])c(F)c1 ZINC000094918999 280783894 /nfs/dbraw/zinc/78/38/94/280783894.db2.gz XDUFQMAKIZIRMY-STQMWFEESA-N 1 0 250.317 2.134 10 0 CEAERO CCN(CC)c1ccc(C(=O)N2CC[C@H]([NH3+])[C@H]2C)cc1 ZINC000423642801 281073162 /nfs/dbraw/zinc/07/31/62/281073162.db2.gz INIBNYHOBSQLDD-DOMZBBRYSA-N 1 0 275.396 2.095 10 0 CEAERO CC(C)c1ccc(OCC(=O)N2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC000423643063 281073828 /nfs/dbraw/zinc/07/38/28/281073828.db2.gz MAPUILMVXIBNTA-IUODEOHRSA-N 1 0 276.380 2.137 10 0 CEAERO Cc1ccc(C)c(OCCC(=O)N2CC[C@H]([NH3+])[C@H]2C)c1 ZINC000423652809 281074315 /nfs/dbraw/zinc/07/43/15/281074315.db2.gz YDNFQTWMTZUFCN-KGLIPLIRSA-N 1 0 276.380 2.020 10 0 CEAERO CC(C)c1cccc(OCC(=O)N2CC[C@H]([NH3+])[C@H]2C)c1 ZINC000423672113 281077872 /nfs/dbraw/zinc/07/78/72/281077872.db2.gz NUBYEHLCQFVUOE-DOMZBBRYSA-N 1 0 276.380 2.137 10 0 CEAERO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)C[C@H]1[NH3+] ZINC000423989057 281109971 /nfs/dbraw/zinc/10/99/71/281109971.db2.gz YBMLAYORLDEQOA-XLWJZTARSA-N 1 0 264.413 2.399 10 0 CEAERO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CCOCC(F)F ZINC000230415999 281186173 /nfs/dbraw/zinc/18/61/73/281186173.db2.gz ZBMJPYAOOGRHTP-QWHCGFSZSA-N 1 0 276.371 2.217 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC(F)(F)F ZINC000175017075 288308387 /nfs/dbraw/zinc/30/83/87/288308387.db2.gz WPXAMTUSXKVECX-VHSXEESVSA-N 1 0 264.291 2.024 10 0 CEAERO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1c(C)nn(C)c1OC ZINC000187579374 281266674 /nfs/dbraw/zinc/26/66/74/281266674.db2.gz JPMVHLCIWGGIPZ-GWCFXTLKSA-N 1 0 251.374 2.358 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@]1(C)CCCS1 ZINC000153372172 289111629 /nfs/dbraw/zinc/11/16/29/289111629.db2.gz PSPTZDXYOQNJIA-ZFWWWQNUSA-N 1 0 299.484 2.398 10 0 CEAERO CC(=O)N[C@H]1CCC[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC000153879836 289126133 /nfs/dbraw/zinc/12/61/33/289126133.db2.gz WSGMPIYVFQKYHB-INIZCTEOSA-N 1 0 286.375 2.063 10 0 CEAERO COCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(C)c1 ZINC000157325156 289211574 /nfs/dbraw/zinc/21/15/74/289211574.db2.gz CGERPRMZEAPFLC-KBPBESRZSA-N 1 0 278.396 2.187 10 0 CEAERO Cc1nc2cc(NC(=O)N3CC[C@@H]([NH+](C)C)C3)ccc2o1 ZINC000159196349 289248632 /nfs/dbraw/zinc/24/86/32/289248632.db2.gz IJKBGKWFJUGDDP-GFCCVEGCSA-N 1 0 288.351 2.304 10 0 CEAERO Cc1cc(Br)ccc1C[NH2+][C@@H]1C[C@H]1CO ZINC000309077200 289277647 /nfs/dbraw/zinc/27/76/47/289277647.db2.gz LXDBOZOHWXDTLI-CMPLNLGQSA-N 1 0 270.170 2.228 10 0 CEAERO COc1c(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)c(C)nn1C ZINC000403345169 289289785 /nfs/dbraw/zinc/28/97/85/289289785.db2.gz JUEMGDUBDBTTIM-UPJWGTAASA-N 1 0 263.385 2.263 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)NC2C3CC4CC(C3)CC2C4)C1 ZINC000170826231 289311636 /nfs/dbraw/zinc/31/16/36/289311636.db2.gz ATLVJKVPOSKULS-BAPHQMLMSA-N 1 0 291.439 2.157 10 0 CEAERO C[C@H]1CC(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C[C@H](C)C1 ZINC000172515226 290345977 /nfs/dbraw/zinc/34/59/77/290345977.db2.gz AGFMSQULQKPGBP-UMVBOHGHSA-N 1 0 279.428 2.301 10 0 CEAERO Cc1nc(N[C@@H]2CCC[NH2+]C2)ccc1Br ZINC000235969479 293340474 /nfs/dbraw/zinc/34/04/74/293340474.db2.gz MWFWXSHKCOTHRI-SECBINFHSA-N 1 0 270.174 2.316 10 0 CEAERO Cc1nc2ccccc2nc1N1CCCC[C@@H]1C[NH3+] ZINC000052099584 293483469 /nfs/dbraw/zinc/48/34/69/293483469.db2.gz HURMABZWYGZYRZ-GFCCVEGCSA-N 1 0 256.353 2.256 10 0 CEAERO Cc1nc2ccccc2nc1N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261830065 293484729 /nfs/dbraw/zinc/48/47/29/293484729.db2.gz UPQGOXRSMADXGT-STQMWFEESA-N 1 0 268.364 2.126 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1C(=O)c1sccc1Cl ZINC000087721870 295245988 /nfs/dbraw/zinc/24/59/88/295245988.db2.gz YNOINLWFJVPBIV-QMMMGPOBSA-N 1 0 258.774 2.355 10 0 CEAERO COc1cccc(CN2CC[C@H](C)C[C@H]2C[NH3+])c1OC ZINC000261644435 295297616 /nfs/dbraw/zinc/29/76/16/295297616.db2.gz MZJPDTPTYQMPPA-JSGCOSHPSA-N 1 0 278.396 2.263 10 0 CEAERO COc1ccccc1C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000128899558 295351481 /nfs/dbraw/zinc/35/14/81/295351481.db2.gz DXDBMOBSXMKILD-CYBMUJFWSA-N 1 0 278.396 2.401 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]1)NC1C2CC3CC(C2)CC1C3 ZINC000042167220 295533952 /nfs/dbraw/zinc/53/39/52/295533952.db2.gz UKJIFGFOVWTJDG-NUAPRZDKSA-N 1 0 262.397 2.069 10 0 CEAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)c2nccn21 ZINC000333779373 297285853 /nfs/dbraw/zinc/28/58/53/297285853.db2.gz BMMXJQVPIBYNNK-HKUMRIAESA-N 1 0 290.411 2.172 10 0 CEAERO CCC[C@H](C(=O)NC[C@H](C)N(C)c1ccccc1)[NH+](C)C ZINC000161585102 297446470 /nfs/dbraw/zinc/44/64/70/297446470.db2.gz RAAKBJVFSXVGPF-GOEBONIOSA-N 1 0 291.439 2.358 10 0 CEAERO COCc1ccccc1C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000566672859 299013424 /nfs/dbraw/zinc/01/34/24/299013424.db2.gz IFVKYHKKXZFTNT-CQSZACIVSA-N 1 0 276.380 2.047 10 0 CEAERO CCC[C@@H](C)C[NH+]1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000180101243 312762061 /nfs/dbraw/zinc/76/20/61/312762061.db2.gz DTNDFYPTXPGTNZ-CHWSQXEVSA-N 1 0 280.416 2.493 10 0 CEAERO CC(=O)Nc1ccc(N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000570036590 314023953 /nfs/dbraw/zinc/02/39/53/314023953.db2.gz NOEHCPWHNNPJHD-DGCLKSJQSA-N 1 0 261.369 2.445 10 0 CEAERO O[C@H](C[NH2+]CC1(C2CC2)CCC1)COCc1ccco1 ZINC000391571963 328979199 /nfs/dbraw/zinc/97/91/99/328979199.db2.gz WKMMTDRPXQNSBO-CQSZACIVSA-N 1 0 279.380 2.327 10 0 CEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1nc2ccccc2s1 ZINC000392915018 329065757 /nfs/dbraw/zinc/06/57/57/329065757.db2.gz VEMVSTZLAHXRAS-VHSXEESVSA-N 1 0 275.377 2.053 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@@H](CC[NH3+])C(F)(F)C1 ZINC000218188769 329066790 /nfs/dbraw/zinc/06/67/90/329066790.db2.gz UQNNOMOYAFZTDY-SECBINFHSA-N 1 0 264.316 2.228 10 0 CEAERO COC[C@@](C)(O)C[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000394586621 329127537 /nfs/dbraw/zinc/12/75/37/329127537.db2.gz JZAXRMIOFXSNKJ-RNCFNFMXSA-N 1 0 259.296 2.013 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@]1(C(N)=[NH2+])C(F)(F)F ZINC000536959669 330383973 /nfs/dbraw/zinc/38/39/73/330383973.db2.gz RMCYHBHCTLQMNR-JTQLQIEISA-N 1 0 281.278 2.254 10 0 CEAERO NC(=[NH2+])c1ccc(/C=C/c2ccc(C(N)=[NH2+])c([O-])c2)cc1 ZINC000002386942 333043651 /nfs/dbraw/zinc/04/36/51/333043651.db2.gz JDIMCXNFQRSDBE-OWOJBTEDSA-N 1 0 280.331 2.131 10 0 CEAERO CC(C)[N@H+](C)CCCCNC(=O)c1sccc1N ZINC000045661110 519616155 /nfs/dbraw/zinc/61/61/55/519616155.db2.gz IQFKDFJPUYEJGC-UHFFFAOYSA-N 1 0 269.414 2.181 10 0 CEAERO CC(C)CC[C@H](C)[NH2+][C@@H]1CC(=O)N(C2CCCC2)C1=O ZINC000069234465 519691873 /nfs/dbraw/zinc/69/18/73/519691873.db2.gz IMCNLYWGCISYQK-GXTWGEPZSA-N 1 0 280.412 2.471 10 0 CEAERO CC(C)[NH2+]CCNC(=O)Nc1ccc(Cl)cc1 ZINC000054266093 519721826 /nfs/dbraw/zinc/72/18/26/519721826.db2.gz LKCXICGEVKVPLZ-UHFFFAOYSA-N 1 0 255.749 2.460 10 0 CEAERO CC(C)[NH2+]Cc1nnnn1[C@H](C)Cc1ccsc1 ZINC000054748078 519730143 /nfs/dbraw/zinc/73/01/43/519730143.db2.gz GYWAAUMQQRMHAT-SNVBAGLBSA-N 1 0 265.386 2.036 10 0 CEAERO CC(C)[NH2+][C@H](CCSc1ccc(F)cc1)C(N)=O ZINC000062598933 519738560 /nfs/dbraw/zinc/73/85/60/519738560.db2.gz YJCCSEFGJBWZJO-GFCCVEGCSA-N 1 0 270.373 2.160 10 0 CEAERO CC(C)[NH2+][C@](CSC(C)(C)C)(C(N)=O)C1CC1 ZINC000069185218 519740789 /nfs/dbraw/zinc/74/07/89/519740789.db2.gz VXQRUSVUVNSUKE-ZDUSSCGKSA-N 1 0 258.431 2.150 10 0 CEAERO CC(C)OCC[NH2+]Cc1cccnc1OC(C)C ZINC000049259557 519768219 /nfs/dbraw/zinc/76/82/19/519768219.db2.gz OFFXNJRXDPSNLI-UHFFFAOYSA-N 1 0 252.358 2.383 10 0 CEAERO CCC1CC[NH+]([C@@H](C)C[C@@](C)([NH2+]C2CC2)C(=O)[O-])CC1 ZINC000068638254 519859685 /nfs/dbraw/zinc/85/96/85/519859685.db2.gz OQBIBDMGWHNFAI-BLLLJJGKSA-N 1 0 282.428 2.482 10 0 CEAERO CCCNC(=O)[C@H](C)[NH2+]Cc1ccc(F)cc1C ZINC000050569543 519892631 /nfs/dbraw/zinc/89/26/31/519892631.db2.gz VOJBBZNFFYZVEC-NSHDSACASA-N 1 0 252.333 2.138 10 0 CEAERO CCCC1CC[NH+]([C@H](C)C[C@](C)(NC)C(=O)OC)CC1 ZINC000068641818 519903538 /nfs/dbraw/zinc/90/35/38/519903538.db2.gz OAZQCOUKPUZCFJ-CJNGLKHVSA-N 1 0 284.444 2.428 10 0 CEAERO CC[NH2+]C[C@@H](c1ccccc1)N1CCOCC1(C)C ZINC000052546220 519949415 /nfs/dbraw/zinc/94/94/15/519949415.db2.gz NFUPFYROYQZPAM-HNNXBMFYSA-N 1 0 262.397 2.448 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N(C)[C@H]1CCc2ccccc21 ZINC000061230126 519958885 /nfs/dbraw/zinc/95/88/85/519958885.db2.gz KGVJVDNZPKMAMW-WFASDCNBSA-N 1 0 260.381 2.378 10 0 CEAERO CC[NH2+]Cc1c(C)nn(C)c1N1CCC[C@H](C)[C@@H]1C ZINC000050566045 519983583 /nfs/dbraw/zinc/98/35/83/519983583.db2.gz ZKVFLBWGKGLCMN-AAEUAGOBSA-N 1 0 264.417 2.463 10 0 CEAERO CC[NH2+]Cc1sc(N(CC)CCOC)nc1C ZINC000055000729 520032412 /nfs/dbraw/zinc/03/24/12/520032412.db2.gz ADFWTSUXNODBRN-UHFFFAOYSA-N 1 0 257.403 2.034 10 0 CEAERO CCCN[C@@](C)(C[C@H](C)[NH+]1CCC(C)CC1)C(=O)OC ZINC000068618526 520044119 /nfs/dbraw/zinc/04/41/19/520044119.db2.gz NDSISZFWUKVBJY-HOCLYGCPSA-N 1 0 284.444 2.428 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N1CCC[C@@H]1c1cccnc1 ZINC000061269826 520061230 /nfs/dbraw/zinc/06/12/30/520061230.db2.gz ZTRRTZQTJPSLFK-GXTWGEPZSA-N 1 0 261.369 2.133 10 0 CEAERO CCN[C@@H](CC[N@H+](C)CC1CCCCC1)C(=O)OC ZINC000062526728 520083871 /nfs/dbraw/zinc/08/38/71/520083871.db2.gz CMXSLVHCPAZIQV-AWEZNQCLSA-N 1 0 270.417 2.040 10 0 CEAERO CC[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1COCCO1 ZINC000055299895 520208196 /nfs/dbraw/zinc/20/81/96/520208196.db2.gz FEGVLAJPLFEMAP-QWHCGFSZSA-N 1 0 255.745 2.406 10 0 CEAERO CCCCCNC(=O)[C@H](C)[NH2+][C@@H](CC(C)C)CN(C)C ZINC000049555837 520217801 /nfs/dbraw/zinc/21/78/01/520217801.db2.gz TZRCIOOLNXMBAM-GJZGRUSLSA-N 1 0 285.476 2.247 10 0 CEAERO CC[NH2+][C@](C)(CCSCc1ccccc1C)C(N)=O ZINC000054964841 520230660 /nfs/dbraw/zinc/23/06/60/520230660.db2.gz MBOWAHZRZQXBOM-OAHLLOKOSA-N 1 0 280.437 2.472 10 0 CEAERO CCN[C@](C)(C[C@@H](C)[N@H+](C)C1CCCCCC1)C(N)=O ZINC000068626719 520233184 /nfs/dbraw/zinc/23/31/84/520233184.db2.gz HKAJUGQWKPAIJW-CZUORRHYSA-N 1 0 283.460 2.273 10 0 CEAERO CCN(CC)CC[NH2+][C@@]1(CO)CCC[C@@H](C(F)(F)F)C1 ZINC000069387527 520690015 /nfs/dbraw/zinc/69/00/15/520690015.db2.gz FROYUEZOYUDCDC-OLZOCXBDSA-N 1 0 296.377 2.401 10 0 CEAERO CCOC(=O)[C@@H](CC[N@H+](CC1CC1)C(C)C)NC1CC1 ZINC000062525677 521057317 /nfs/dbraw/zinc/05/73/17/521057317.db2.gz YKEVLLNVNRZCJN-OAHLLOKOSA-N 1 0 282.428 2.181 10 0 CEAERO CCOC(=O)[C@@](C)(C[C@H](C)[N@H+](C)CC1CC1)NC1CC1 ZINC000068627740 521149332 /nfs/dbraw/zinc/14/93/32/521149332.db2.gz FPLBSEGBXLWLEN-BLLLJJGKSA-N 1 0 282.428 2.181 10 0 CEAERO CCN(CC[C@H]([NH2+]C(C)C)C(N)=O)c1ccc(C)cc1 ZINC000062529109 521156941 /nfs/dbraw/zinc/15/69/41/521156941.db2.gz UMTQFMIPBCKRHL-HNNXBMFYSA-N 1 0 277.412 2.063 10 0 CEAERO CCOC(=O)[C@](C)(C[N@@H+]1CCCC(C)(C)C1)NC1CC1 ZINC000069516930 521320032 /nfs/dbraw/zinc/32/00/32/521320032.db2.gz ZNFWUPWUELBENX-INIZCTEOSA-N 1 0 282.428 2.182 10 0 CEAERO CCS(=O)(=O)CCOc1ccccc1C[NH2+]CC(C)C ZINC000062729414 521644473 /nfs/dbraw/zinc/64/44/73/521644473.db2.gz LRPPYZQXIYSCBR-UHFFFAOYSA-N 1 0 299.436 2.246 10 0 CEAERO CCC1(CC)C[NH2+][C@H](C(C)C)CN1CCn1cccn1 ZINC000068704485 521690713 /nfs/dbraw/zinc/69/07/13/521690713.db2.gz HKVFKBJBYSCFOR-HNNXBMFYSA-N 1 0 278.444 2.372 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N[C@H](C)Cc1cccc(Cl)c1 ZINC000061300868 521938812 /nfs/dbraw/zinc/93/88/12/521938812.db2.gz LACMJXIISAWBOA-SNVBAGLBSA-N 1 0 268.788 2.385 10 0 CEAERO C[NH2+]C(C)(C)C(=O)Nc1cccc(-c2cnco2)c1 ZINC000061316744 521942253 /nfs/dbraw/zinc/94/22/53/521942253.db2.gz FGQKVKANCDDJCS-UHFFFAOYSA-N 1 0 259.309 2.278 10 0 CEAERO COCC[C@H]([NH3+])c1nc(-c2ccccc2OC)c[nH]1 ZINC000052811095 521951099 /nfs/dbraw/zinc/95/10/99/521951099.db2.gz BZPAOHUEOIUJCC-NSHDSACASA-N 1 0 261.325 2.122 10 0 CEAERO C[NH2+]C[C@@H](OC1CCOCC1)c1ccccc1F ZINC000050486048 522036432 /nfs/dbraw/zinc/03/64/32/522036432.db2.gz QWLSKPPUTNZKGY-CQSZACIVSA-N 1 0 253.317 2.282 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(F)cc1O[C@H](C)C(=O)NC(C)C ZINC000062746492 522333412 /nfs/dbraw/zinc/33/34/12/522333412.db2.gz DAKVXMDTIRDYNR-WDEREUQCSA-N 1 0 282.359 2.398 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1nnc(C)o1)c1ccncc1 ZINC000051037810 522343243 /nfs/dbraw/zinc/34/32/43/522343243.db2.gz DSNXTTJMBOCOJH-WDEREUQCSA-N 1 0 264.354 2.344 10 0 CEAERO CCc1nc(N2CCO[C@H](C)C2)sc1C[NH2+]C(C)C ZINC000054995746 522388119 /nfs/dbraw/zinc/38/81/19/522388119.db2.gz XCUWZPJSISMJSI-LLVKDONJSA-N 1 0 283.441 2.429 10 0 CEAERO C[NH2+][C@H](C)c1ccc(F)cc1O[C@H](C)C(=O)NC(C)C ZINC000062746490 522446625 /nfs/dbraw/zinc/44/66/25/522446625.db2.gz DAKVXMDTIRDYNR-GHMZBOCLSA-N 1 0 282.359 2.398 10 0 CEAERO CC[NH2+]CCc1nnc(-c2snnc2C(C)(C)C)o1 ZINC000087457220 517669383 /nfs/dbraw/zinc/66/93/83/517669383.db2.gz LIULIIOVXYSIFX-UHFFFAOYSA-N 1 0 281.385 2.038 10 0 CEAERO C[NH2+][C@@H](COc1cccc(Cl)c1)[C@@H]1CCOC1 ZINC000097181475 517978174 /nfs/dbraw/zinc/97/81/74/517978174.db2.gz HYXDZSKZXULDSO-MFKMUULPSA-N 1 0 255.745 2.343 10 0 CEAERO Cc1cc(N2C[C@H](C[NH3+])C[C@H]2C)ncc1Br ZINC000228899082 518187541 /nfs/dbraw/zinc/18/75/41/518187541.db2.gz NPFHHNKLJGYCNJ-ZJUUUORDSA-N 1 0 284.201 2.326 10 0 CEAERO CC(C)(C)C1CCC(C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000054668150 518602677 /nfs/dbraw/zinc/60/26/77/518602677.db2.gz QZHJEJSEFXPBSV-BPCQOVAHSA-N 1 0 252.402 2.399 10 0 CEAERO CC(C)(C)[NH+]1CCN(CCc2ccccc2N)CC1 ZINC000052918471 518711423 /nfs/dbraw/zinc/71/14/23/518711423.db2.gz KFKKWXJGESFSOJ-UHFFFAOYSA-N 1 0 261.413 2.227 10 0 CEAERO CC(C)(C)[NH+]1CCN(CC(=O)c2ccccc2F)CC1 ZINC000048946003 518711513 /nfs/dbraw/zinc/71/15/13/518711513.db2.gz VROPLHUQWORZRP-UHFFFAOYSA-N 1 0 278.371 2.425 10 0 CEAERO CC(C)(C)[NH2+]CCCn1ncc2ccccc2c1=O ZINC000048784610 518757374 /nfs/dbraw/zinc/75/73/74/518757374.db2.gz BXIFFLFGJGHIEP-UHFFFAOYSA-N 1 0 259.353 2.175 10 0 CEAERO CC(C)(C)[NH2+]Cc1ccc(OC[C@@H]2CNC(=O)O2)cc1 ZINC000062728800 518763528 /nfs/dbraw/zinc/76/35/28/518763528.db2.gz WRCQZWJSYJPDFQ-ZDUSSCGKSA-N 1 0 278.352 2.062 10 0 CEAERO CC(C)(C)[NH2+]Cc1ccnc(Cc2ccccn2)n1 ZINC000054792153 518765774 /nfs/dbraw/zinc/76/57/74/518765774.db2.gz HMLCFLVNWHTMKM-UHFFFAOYSA-N 1 0 256.353 2.351 10 0 CEAERO CC(C)(C)c1ccc(SCC[C@@H]([NH3+])C(N)=O)cc1 ZINC000062600378 519047766 /nfs/dbraw/zinc/04/77/66/519047766.db2.gz YGTOHQHDHIPMHV-GFCCVEGCSA-N 1 0 266.410 2.279 10 0 CEAERO CC(C)(C)c1csc(NC(=O)[C@H]2CCC[NH2+]C2)n1 ZINC000049499977 519085321 /nfs/dbraw/zinc/08/53/21/519085321.db2.gz VMPZJBHNJSFYOJ-VIFPVBQESA-N 1 0 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DJTXHXLPTMGQMM-OKILXGFUSA-N 1 0 260.381 2.170 10 0 CEAERO CC(C)[NH+](CCN1[C@@H]2CC[C@H]1CC(=O)C2)C(C)C ZINC000054603042 519646371 /nfs/dbraw/zinc/64/63/71/519646371.db2.gz BPLNVPCNYUXNIV-OKILXGFUSA-N 1 0 252.402 2.301 10 0 CEAERO CC(C)N(Cc1cccs1)c1ccc(C[NH3+])nn1 ZINC000051397799 519662524 /nfs/dbraw/zinc/66/25/24/519662524.db2.gz XMIPFWHNDPDVRA-UHFFFAOYSA-N 1 0 262.382 2.412 10 0 CEAERO CC(C)CC[NH2+]CCSc1nnc2ccccn21 ZINC000061409278 519662701 /nfs/dbraw/zinc/66/27/01/519662701.db2.gz NURIIHLXNHJONH-UHFFFAOYSA-N 1 0 264.398 2.457 10 0 CEAERO CC(C)N1C(=O)C[C@@H]([NH2+][C@H](C)C2CCCCC2)C1=O ZINC000052336327 519666475 /nfs/dbraw/zinc/66/64/75/519666475.db2.gz BMMIUKWLVMKBNP-DGCLKSJQSA-N 1 0 266.385 2.081 10 0 CEAERO CC(C)[NH2+]C[C@@H](C)[C@H]1CS(=O)(=O)c2ccccc21 ZINC000052966169 519723233 /nfs/dbraw/zinc/72/32/33/519723233.db2.gz KKIKCFSVXZGYBA-DGCLKSJQSA-N 1 0 267.394 2.192 10 0 CEAERO CC(C)[NH2+]C[C@@H]1CC[C@H](COCc2ccco2)O1 ZINC000052602001 519723850 /nfs/dbraw/zinc/72/38/50/519723850.db2.gz FBLGNJUYAPUYFL-GXTWGEPZSA-N 1 0 253.342 2.342 10 0 CEAERO CC(C)C[NH+]1CCN(C(=O)Nc2cccc(N)c2)CC1 ZINC000055083793 519724088 /nfs/dbraw/zinc/72/40/88/519724088.db2.gz LGWZVNYZBZAEQG-UHFFFAOYSA-N 1 0 276.384 2.074 10 0 CEAERO CC(C)[NH2+]C[C@H]1CCCN(c2ncccc2F)C1 ZINC000054701311 519725404 /nfs/dbraw/zinc/72/54/04/519725404.db2.gz ZQNBLBOIUNXDDE-GFCCVEGCSA-N 1 0 251.349 2.435 10 0 CEAERO CC(C)C[NH+]1CCN(C[C@H]2CCCCC[C@@H]2O)CC1 ZINC000055082374 519726470 /nfs/dbraw/zinc/72/64/70/519726470.db2.gz OSHKPGMSFKYWKF-CVEARBPZSA-N 1 0 268.445 2.201 10 0 CEAERO CC(C)[NH2+]Cc1ccc(-n2ccc(C(C)C)n2)nn1 ZINC000052885340 519726845 /nfs/dbraw/zinc/72/68/45/519726845.db2.gz OBQLPALKOHHXAA-UHFFFAOYSA-N 1 0 259.357 2.284 10 0 CEAERO CC(C)C[NH+]1CCN(c2ccc(N)c(OC(C)C)n2)CC1 ZINC000055085603 519728866 /nfs/dbraw/zinc/72/88/66/519728866.db2.gz VOZMPFPULJRJPI-UHFFFAOYSA-N 1 0 292.427 2.229 10 0 CEAERO CC(C)[NH2+]Cc1nc(CN2CCSCC2)cs1 ZINC000052425427 519729183 /nfs/dbraw/zinc/72/91/83/519729183.db2.gz PCIPUPCIMJUVIX-UHFFFAOYSA-N 1 0 271.455 2.190 10 0 CEAERO CC(C)CNC(=O)[C@@H](C)Oc1cccc2c1CC[C@@H]2[NH3+] ZINC000062798662 519738786 /nfs/dbraw/zinc/73/87/86/519738786.db2.gz XVOHMZVGCZICNA-RISCZKNCSA-N 1 0 276.380 2.172 10 0 CEAERO CC(C)C[NH2+]CC(C)(C)Cc1nnnn1-c1ccccc1 ZINC000054638616 519742904 /nfs/dbraw/zinc/74/29/04/519742904.db2.gz NGAZXPQZSPIBAY-UHFFFAOYSA-N 1 0 287.411 2.477 10 0 CEAERO CC(C)C[NH2+]C[C@H]1CCN(Cc2ccc3c(c2)OCO3)C1 ZINC000061674924 519746175 /nfs/dbraw/zinc/74/61/75/519746175.db2.gz NQBASHORWMBTNM-OAHLLOKOSA-N 1 0 290.407 2.483 10 0 CEAERO CC(C)C[NH2+]C[C@H]1CC[C@@H](Cn2cc(Cl)cn2)O1 ZINC000052577292 519746421 /nfs/dbraw/zinc/74/64/21/519746421.db2.gz PSTQKNQFBZIJIQ-OLZOCXBDSA-N 1 0 271.792 2.330 10 0 CEAERO CC(C)C[NH2+]Cc1ccccc1N1CCC[C@H](C(N)=O)C1 ZINC000062734028 519747675 /nfs/dbraw/zinc/74/76/75/519747675.db2.gz PZPPKBLFZBHGQE-HNNXBMFYSA-N 1 0 289.423 2.134 10 0 CEAERO CC(C)OCCOc1cccc(Cl)c1C(N)=[NH2+] ZINC000052906916 519768826 /nfs/dbraw/zinc/76/88/26/519768826.db2.gz NHRNRXZPLQXWOD-UHFFFAOYSA-N 1 0 256.733 2.428 10 0 CEAERO CC(C)[C@@H](C)NC(=O)COc1cccc([C@@H](C)[NH3+])c1 ZINC000049307163 519791804 /nfs/dbraw/zinc/79/18/04/519791804.db2.gz WXEJYZUWVBYBPA-VXGBXAGGSA-N 1 0 264.369 2.246 10 0 CEAERO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cc2cc(N)ccc2o1 ZINC000049192081 519793450 /nfs/dbraw/zinc/79/34/50/519793450.db2.gz ARFVWBSQLDVNCN-CYBMUJFWSA-N 1 0 289.379 2.331 10 0 CEAERO CC(C)[C@@H](CN(C)C)[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000049204486 519793499 /nfs/dbraw/zinc/79/34/99/519793499.db2.gz APJRGBGQILYSGF-CABCVRRESA-N 1 0 268.376 2.035 10 0 CEAERO CC(C)[C@@H](CN(C)C)[NH2+]C[C@H](O)c1ccc(F)c(F)c1 ZINC000049204715 519793637 /nfs/dbraw/zinc/79/36/37/519793637.db2.gz RKDBAZXVKHUWKE-CABCVRRESA-N 1 0 286.366 2.174 10 0 CEAERO CC(C)[C@@H]1CN(Cc2cnn(C)c2)[C@H](C(C)(C)C)C[NH2+]1 ZINC000068703770 519804636 /nfs/dbraw/zinc/80/46/36/519804636.db2.gz KTFCKYGLZMXLGH-GJZGRUSLSA-N 1 0 278.444 2.265 10 0 CEAERO CC(C)[C@H](C)C(=O)N1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000070122742 519810371 /nfs/dbraw/zinc/81/03/71/519810371.db2.gz KEWDMGJZDWRGLK-BFHYXJOUSA-N 1 0 252.402 2.269 10 0 CEAERO CC(C)[C@H](CN(C)C)[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000049204663 519814635 /nfs/dbraw/zinc/81/46/35/519814635.db2.gz AAXMYCJUSCRKFY-GJZGRUSLSA-N 1 0 268.376 2.035 10 0 CEAERO CC(C)[C@H](CN(C)C)[NH2+][C@H](C)c1ccc(NC(N)=O)cc1 ZINC000049198880 519814709 /nfs/dbraw/zinc/81/47/09/519814709.db2.gz KADVCXIIFYEIHF-DOMZBBRYSA-N 1 0 292.427 2.414 10 0 CEAERO CC(C)[C@H]1CCC(=O)[C@H](C[NH+]2CCC(O)CC2)C1 ZINC000054558829 519824562 /nfs/dbraw/zinc/82/45/62/519824562.db2.gz XWVBRSCMCZDRCT-STQMWFEESA-N 1 0 253.386 2.085 10 0 CEAERO CC(C)[C@H]1CN([C@@H]2CCOC2)[C@H](c2ccccc2)C[NH2+]1 ZINC000068703806 519827194 /nfs/dbraw/zinc/82/71/94/519827194.db2.gz MKJUAQDVMLHZMA-ZACQAIPSSA-N 1 0 274.408 2.446 10 0 CEAERO CC(C)c1ccc([C@@H](O)C[NH2+][C@@H]2CCN(C)C2)cc1 ZINC000049085712 519839303 /nfs/dbraw/zinc/83/93/03/519839303.db2.gz CPAUELFOIQQILN-CVEARBPZSA-N 1 0 262.397 2.137 10 0 CEAERO CCC[NH+]1CCC(NC(=O)c2cc(N)cn2C2CC2)CC1 ZINC000049550910 519846237 /nfs/dbraw/zinc/84/62/37/519846237.db2.gz BOLDABDXRMPQIA-UHFFFAOYSA-N 1 0 290.411 2.009 10 0 CEAERO CC(C)c1ccn(-c2cnc(C(C)C)nc2C[NH3+])n1 ZINC000052885288 519848152 /nfs/dbraw/zinc/84/81/52/519848152.db2.gz ISIMKJVVUMXIAE-UHFFFAOYSA-N 1 0 259.357 2.368 10 0 CEAERO CCC1CCC([NH3+])(c2noc(-c3ccnn3C)n2)CC1 ZINC000061665737 519853892 /nfs/dbraw/zinc/85/38/92/519853892.db2.gz NEJNXNNFYQYCEZ-UHFFFAOYSA-N 1 0 275.356 2.224 10 0 CEAERO CCC1CCC(NS(=O)(=O)C[C@@H]2CCCC[NH2+]2)CC1 ZINC000049631392 519856914 /nfs/dbraw/zinc/85/69/14/519856914.db2.gz ANSBABYMFYCYRQ-RUXDESIVSA-N 1 0 288.457 2.017 10 0 CEAERO CCC1CC[NH+](CC[C@@H](NC(C)C)C(=O)OC)CC1 ZINC000062526519 519859023 /nfs/dbraw/zinc/85/90/23/519859023.db2.gz ZUAKKWNUFAVCGV-CQSZACIVSA-N 1 0 270.417 2.038 10 0 CEAERO CCOCCC[NH2+]CCSc1nnc2n1CCCCC2 ZINC000053615037 519896519 /nfs/dbraw/zinc/89/65/19/519896519.db2.gz BIBWPVLJUJVJTJ-UHFFFAOYSA-N 1 0 298.456 2.113 10 0 CEAERO CCCC1CCN(C(=O)CC2CC[NH2+]CC2)CC1 ZINC000050906216 519899454 /nfs/dbraw/zinc/89/94/54/519899454.db2.gz NBPCACFZIZJWQU-UHFFFAOYSA-N 1 0 252.402 2.415 10 0 CEAERO CCCC1CC[NH+](CC[C@@H]([NH2+]C(C)C)C(=O)[O-])CC1 ZINC000062531120 519901487 /nfs/dbraw/zinc/90/14/87/519901487.db2.gz ZCPKDZZVNUIONW-CQSZACIVSA-N 1 0 270.417 2.340 10 0 CEAERO CCCC1CCN([C@@H]2COCC[C@@H]2[NH2+]CC)CC1 ZINC000050893603 519903115 /nfs/dbraw/zinc/90/31/15/519903115.db2.gz FLHMGBJRXROFTB-LSDHHAIUSA-N 1 0 254.418 2.266 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N(C)Cc1cccc(F)c1 ZINC000061288369 519903177 /nfs/dbraw/zinc/90/31/77/519903177.db2.gz FUNVYSDQPUYYIR-UHFFFAOYSA-N 1 0 252.333 2.172 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N(C)Cc1ccc(OCC)cc1 ZINC000061293925 519903247 /nfs/dbraw/zinc/90/32/47/519903247.db2.gz VTILTVDXRVZJAU-UHFFFAOYSA-N 1 0 278.396 2.432 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N(CC(C)C)CC(F)(F)F ZINC000061295428 519903561 /nfs/dbraw/zinc/90/35/61/519903561.db2.gz HSVMIUFQRCWPNX-UHFFFAOYSA-N 1 0 268.323 2.421 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000061292041 519904537 /nfs/dbraw/zinc/90/45/37/519904537.db2.gz HXPSJZAVWRGQRR-UHFFFAOYSA-N 1 0 264.413 2.315 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000061298360 519905554 /nfs/dbraw/zinc/90/55/54/519905554.db2.gz VLAFLTVMDRNKAT-JTQLQIEISA-N 1 0 252.333 2.391 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1ccc(Cl)c(C(=O)NC)c1 ZINC000061293696 519906590 /nfs/dbraw/zinc/90/65/90/519906590.db2.gz VDKZZHXIKZMJKW-UHFFFAOYSA-N 1 0 297.786 2.026 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1ccc(OC)c(C)c1 ZINC000061299070 519907603 /nfs/dbraw/zinc/90/76/03/519907603.db2.gz VLYWFEBLBDKBHX-UHFFFAOYSA-N 1 0 250.342 2.330 10 0 CEAERO CC[NH2+]CCC(=O)N1CCC(c2ccccc2)CC1 ZINC000061294607 519915549 /nfs/dbraw/zinc/91/55/49/519915549.db2.gz CZBYZWUNHYVZCW-UHFFFAOYSA-N 1 0 260.381 2.392 10 0 CEAERO CC(C)n1c(=S)[nH]nc1N1CCC[C@@H]1C[NH+](C)C ZINC000061651954 519920227 /nfs/dbraw/zinc/92/02/27/519920227.db2.gz LFGMXYBEBRXMQY-SNVBAGLBSA-N 1 0 269.418 2.052 10 0 CEAERO CC[NH2+]CCN(CC)c1ncnc2sccc21 ZINC000053707499 519920842 /nfs/dbraw/zinc/92/08/42/519920842.db2.gz HWBAVZVLVGHDJW-UHFFFAOYSA-N 1 0 250.371 2.127 10 0 CEAERO CC[NH2+]CCCc1nnc(-c2ccc3c(c2)CCO3)o1 ZINC000050892706 519920960 /nfs/dbraw/zinc/92/09/60/519920960.db2.gz LIUOTNOVRYRLNP-UHFFFAOYSA-N 1 0 273.336 2.214 10 0 CEAERO CC[NH2+]CC[C@@H](C)N1CCN(c2ccc(F)cc2)CC1 ZINC000052418225 519928505 /nfs/dbraw/zinc/92/85/05/519928505.db2.gz HWCGAHZSXXOAMG-CQSZACIVSA-N 1 0 279.403 2.336 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)NCCCn1ccc2ccccc21 ZINC000061267170 519935940 /nfs/dbraw/zinc/93/59/40/519935940.db2.gz ARWULXYVYZBNEU-CQSZACIVSA-N 1 0 287.407 2.393 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC000061227256 519941665 /nfs/dbraw/zinc/94/16/65/519941665.db2.gz MLVOADXPHZEXCX-LLVKDONJSA-N 1 0 250.342 2.269 10 0 CEAERO CCC[NH2+]Cc1ccc(-n2ccc(C(=O)N(C)C)n2)cc1 ZINC000070328591 519947545 /nfs/dbraw/zinc/94/75/45/519947545.db2.gz ZMCKCTHSGWSJDY-UHFFFAOYSA-N 1 0 286.379 2.074 10 0 CEAERO CC[NH2+]C[C@@H](OCCOC)c1cccc(OC)c1 ZINC000050496003 519947650 /nfs/dbraw/zinc/94/76/50/519947650.db2.gz BTAWBJULGBHKBD-CQSZACIVSA-N 1 0 253.342 2.009 10 0 CEAERO CCC[NH2+]Cc1ccc(OCCCC(=O)NC)c(OC)c1 ZINC000068816222 519952065 /nfs/dbraw/zinc/95/20/65/519952065.db2.gz GEUOHSWCDLQIIL-UHFFFAOYSA-N 1 0 294.395 2.100 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1cccc(NC(=O)CC)c1 ZINC000061267084 519968328 /nfs/dbraw/zinc/96/83/28/519968328.db2.gz FYVMWTXZWZOYNE-NSHDSACASA-N 1 0 277.368 2.219 10 0 CEAERO CC[NH2+]C[C@H](C)N1CCN(c2cccc(C)c2)CC1 ZINC000052418903 519970499 /nfs/dbraw/zinc/97/04/99/519970499.db2.gz OZNUYCBQOHVIPO-HNNXBMFYSA-N 1 0 261.413 2.115 10 0 CEAERO CCC[NH2+]Cc1nnnn1CCc1ccc(Cl)cc1 ZINC000054747676 519970923 /nfs/dbraw/zinc/97/09/23/519970923.db2.gz IABODJYJJQIMJM-UHFFFAOYSA-N 1 0 279.775 2.069 10 0 CEAERO CC[NH2+]C[C@H](CCS(=O)(=O)CC)Cc1ccccc1 ZINC000052952691 519971523 /nfs/dbraw/zinc/97/15/23/519971523.db2.gz UQDOTXKTTLXWLB-OAHLLOKOSA-N 1 0 283.437 2.280 10 0 CEAERO CC[NH2+]C[C@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000061220276 519971758 /nfs/dbraw/zinc/97/17/58/519971758.db2.gz STVCDQSCZQTFIU-JTQLQIEISA-N 1 0 261.325 2.458 10 0 CEAERO CC[NH2+]C[C@H]1CC[C@@H](COCc2ccccc2F)O1 ZINC000069286332 519979872 /nfs/dbraw/zinc/97/98/72/519979872.db2.gz IANMMCSTUCGWQB-KGLIPLIRSA-N 1 0 267.344 2.499 10 0 CEAERO CC[NH2+]C[C@H]1CC[C@H](COc2c(OC)cccc2OC)O1 ZINC000052650218 519980912 /nfs/dbraw/zinc/98/09/12/519980912.db2.gz BMUXGOXQHQGNKW-CHWSQXEVSA-N 1 0 295.379 2.240 10 0 CEAERO CC[NH2+]C[C@H]1CC[C@H](Cn2ccc(C(F)(F)F)n2)O1 ZINC000052592644 519981224 /nfs/dbraw/zinc/98/12/24/519981224.db2.gz RDAOBSODQNJQRX-NXEZZACHSA-N 1 0 277.290 2.059 10 0 CEAERO CC[NH2+]C[C@H]1C[C@H]1c1c(OC)cc(OC)cc1OC ZINC000054590873 519981358 /nfs/dbraw/zinc/98/13/58/519981358.db2.gz KYIWURXIGUTEGW-ZYHUDNBSSA-N 1 0 265.353 2.425 10 0 CEAERO CC[NH2+]C[C@](C)(O)c1cccc(Br)c1 ZINC000055032796 519983058 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CC[NH2+][C@](C)(C[C@H](C)Oc1cc(C)ccc1C)C(N)=O ZINC000068655942 520241424 /nfs/dbraw/zinc/24/14/24/520241424.db2.gz HAAGUDBMKAIQSA-XJKSGUPXSA-N 1 0 278.396 2.314 10 0 CEAERO CC[NH2+][C@](COc1c(C)cc(C)cc1C)(C(N)=O)C1CC1 ZINC000069194546 520250610 /nfs/dbraw/zinc/25/06/10/520250610.db2.gz ZLQFERPJRSKSKZ-KRWDZBQOSA-N 1 0 290.407 2.234 10 0 CEAERO CCCO[C@@H]1CCCN(C(=O)[C@@H](C[NH3+])c2ccccc2)C1 ZINC000061612555 520266334 /nfs/dbraw/zinc/26/63/34/520266334.db2.gz YHCWZVYMMIXJDI-CVEARBPZSA-N 1 0 290.407 2.147 10 0 CEAERO CCNc1cc(C[NH+]2CCC(C(=O)OCC)CC2)ccn1 ZINC000052718430 520273403 /nfs/dbraw/zinc/27/34/03/520273403.db2.gz VVXBLTRKUMVBFO-UHFFFAOYSA-N 1 0 291.395 2.289 10 0 CEAERO CCCO[C@H]1CCCN(C(=O)[C@](C)([NH3+])c2ccccc2)C1 ZINC000052882602 520283100 /nfs/dbraw/zinc/28/31/00/520283100.db2.gz RVXJWIPAYLKXIZ-DOTOQJQBSA-N 1 0 290.407 2.278 10 0 CEAERO CCNc1ccc(CN2CC[NH+](C(C)(C)C)CC2)cn1 ZINC000050817373 520301204 /nfs/dbraw/zinc/30/12/04/520301204.db2.gz AMEQXFUJGKYTAW-UHFFFAOYSA-N 1 0 276.428 2.430 10 0 CEAERO CCO[C@@H](C[NH3+])CCn1ccc2cc(OC)ccc21 ZINC000062741404 520309461 /nfs/dbraw/zinc/30/94/61/520309461.db2.gz ZTKLXIJKDXHHNY-CQSZACIVSA-N 1 0 262.353 2.404 10 0 CEAERO CCO[C@@H](C[NH3+])CSc1nc2ccccc2o1 ZINC000062740610 520310662 /nfs/dbraw/zinc/31/06/62/520310662.db2.gz KDFJCTNYCHBTJJ-VIFPVBQESA-N 1 0 252.339 2.284 10 0 CEAERO CC[N@@H+](CC(=O)Nc1cc(N)ccc1F)CC1CC1 ZINC000069237159 520355380 /nfs/dbraw/zinc/35/53/80/520355380.db2.gz QUMMZLSIAFGOHD-UHFFFAOYSA-N 1 0 265.332 2.078 10 0 CEAERO CCCOc1ccc(C[NH2+]C)c(OCCC(=O)OC)c1 ZINC000069317173 520364677 /nfs/dbraw/zinc/36/46/77/520364677.db2.gz GVTHWUHKTXGXSP-UHFFFAOYSA-N 1 0 281.352 2.137 10 0 CEAERO CCNc1ncccc1C[N@@H+]1CCCSCC1 ZINC000052730871 520377860 /nfs/dbraw/zinc/37/78/60/520377860.db2.gz YQZJAXLWBJNAAN-UHFFFAOYSA-N 1 0 251.399 2.452 10 0 CEAERO CCCOc1cccc(C[NH2+]CCN(C)CCOC)c1 ZINC000061377744 520454656 /nfs/dbraw/zinc/45/46/56/520454656.db2.gz YLVWBUUCANCQDP-UHFFFAOYSA-N 1 0 280.412 2.143 10 0 CEAERO 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CCC[C@@H](C)[C@H]([NH3+])c1ccc2c(c1)n(C)c(=O)n2C ZINC000051392403 520672805 /nfs/dbraw/zinc/67/28/05/520672805.db2.gz MWUFJFOKCVMGAZ-YGRLFVJLSA-N 1 0 261.369 2.313 10 0 CEAERO CC[NH+](CC)C[C@@H](O)CNc1ccc(F)c(C)c1 ZINC000061097372 520722471 /nfs/dbraw/zinc/72/24/71/520722471.db2.gz KSCHJVOZVKZSCF-ZDUSSCGKSA-N 1 0 254.349 2.249 10 0 CEAERO CCC[C@@H]([NH3+])c1noc(-c2ccc3nccnc3c2)n1 ZINC000061418794 520726729 /nfs/dbraw/zinc/72/67/29/520726729.db2.gz RBWMYWFZMKAJDA-SNVBAGLBSA-N 1 0 269.308 2.480 10 0 CEAERO CCOc1cc(NC(=O)C[C@@H]2CCC[NH2+]C2)ccc1OC ZINC000054307401 520755522 /nfs/dbraw/zinc/75/55/22/520755522.db2.gz ARNMELNBFANMEC-LBPRGKRZSA-N 1 0 292.379 2.422 10 0 CEAERO CCOC(=O)COc1c(C[NH2+]CC(C)C)cccc1OC ZINC000062732318 520799241 /nfs/dbraw/zinc/79/92/41/520799241.db2.gz VAYWHLOFTJURBJ-UHFFFAOYSA-N 1 0 295.379 2.383 10 0 CEAERO CCOC(=O)C[C@H](C)[NH2+]Cc1ccc(F)cc1F ZINC000051017224 520881871 /nfs/dbraw/zinc/88/18/71/520881871.db2.gz KUIOAMRENGEGCC-VIFPVBQESA-N 1 0 257.280 2.396 10 0 CEAERO CCOC(=O)C[C@]1([NH+]2CCOCC2)CC[C@H](C)C[C@@H]1C ZINC000068633901 520902936 /nfs/dbraw/zinc/90/29/36/520902936.db2.gz HNVYSZJPBMCNBC-OFQRWUPVSA-N 1 0 283.412 2.467 10 0 CEAERO CCN(CC)c1nc(C)c(CCC[NH2+]C)c(C)n1 ZINC000054837442 520925563 /nfs/dbraw/zinc/92/55/63/520925563.db2.gz MMGPBXIKVUXADU-UHFFFAOYSA-N 1 0 250.390 2.092 10 0 CEAERO CCN(CC)c1nc(C)c([C@@H](C)C[NH2+]C)c(C)n1 ZINC000054854718 520926067 /nfs/dbraw/zinc/92/60/67/520926067.db2.gz JEIDCEKKDNEYDZ-JTQLQIEISA-N 1 0 250.390 2.263 10 0 CEAERO CCC[C@@]1(C(=O)Nc2ccc3nccnc3c2)CC[NH2+]C1 ZINC000062894124 520944335 /nfs/dbraw/zinc/94/43/35/520944335.db2.gz DTZHDUAKZCFYPK-MRXNPFEDSA-N 1 0 284.363 2.348 10 0 CEAERO CC1CCC(NC(=O)[C@H]2C[C@H]([NH3+])CC[C@@H]2C)CC1 ZINC000055124502 520951277 /nfs/dbraw/zinc/95/12/77/520951277.db2.gz LXLWGLKGWQDXSO-XGVQBZMBSA-N 1 0 252.402 2.445 10 0 CEAERO CCCC[C@@H](CC)[NH2+]C1CCN(S(=O)(=O)CC)CC1 ZINC000069371442 521037161 /nfs/dbraw/zinc/03/71/61/521037161.db2.gz OXABAEBPFFPSIF-CYBMUJFWSA-N 1 0 290.473 2.359 10 0 CEAERO CCCC[C@@H](C[NH2+]CCC)[C@H]1CCS(=O)(=O)C1 ZINC000052950795 521048494 /nfs/dbraw/zinc/04/84/94/521048494.db2.gz QPPXTFNHUCXNOU-STQMWFEESA-N 1 0 261.431 2.227 10 0 CEAERO CCOC(=O)[C@@H](CC[N@@H+]1CCC[C@@H]1C1CCCC1)NC ZINC000062460888 521058000 /nfs/dbraw/zinc/05/80/00/521058000.db2.gz MEUCEFBRGISKMZ-HUUCEWRRSA-N 1 0 282.428 2.182 10 0 CEAERO CCCC[C@H](C)NC(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000051091840 521146847 /nfs/dbraw/zinc/14/68/47/521146847.db2.gz VYIBEAGFUDMXFZ-QMMMGPOBSA-N 1 0 270.764 2.329 10 0 CEAERO CCOC(=O)[C@@](C)(C[NH+]1CCC(CC)(CC)CC1)NC ZINC000062956353 521148167 /nfs/dbraw/zinc/14/81/67/521148167.db2.gz AGCFSXWIAKXACY-OAHLLOKOSA-N 1 0 284.444 2.430 10 0 CEAERO CCN(CC[C@H]([NH2+]C(C)C)C(N)=O)c1cccc(C)c1 ZINC000062452988 521157561 /nfs/dbraw/zinc/15/75/61/521157561.db2.gz SQZPFVGVXUHKEW-HNNXBMFYSA-N 1 0 277.412 2.063 10 0 CEAERO CCOC(=O)[C@H](C)C[NH2+][C@H](C)Cc1ccsc1 ZINC000049849755 521189007 /nfs/dbraw/zinc/18/90/07/521189007.db2.gz ZFYBKVORZPIELQ-GHMZBOCLSA-N 1 0 255.383 2.468 10 0 CEAERO CCOC(=O)[C@H](C)Oc1ccc(C[C@@H](C)[NH3+])cc1OCC ZINC000049955403 521216893 /nfs/dbraw/zinc/21/68/93/521216893.db2.gz CSTUCDXQWZBTRA-NEPJUHHUSA-N 1 0 295.379 2.305 10 0 CEAERO CCC[C@H]1CN(Cc2ncccn2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000068702515 521220101 /nfs/dbraw/zinc/22/01/01/521220101.db2.gz XIKOISQDRZEUJJ-GOEBONIOSA-N 1 0 274.412 2.219 10 0 CEAERO CCOc1ccc([C@H](C)[NH3+])cc1Cn1nc(C)ccc1=O ZINC000061810310 521250281 /nfs/dbraw/zinc/25/02/81/521250281.db2.gz WGCOMHBOYAYRFL-LBPRGKRZSA-N 1 0 287.363 2.018 10 0 CEAERO CCC(C)(C)N(C)C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000069444072 521294119 /nfs/dbraw/zinc/29/41/19/521294119.db2.gz UCTFAVLUWYLFTL-NSHDSACASA-N 1 0 266.307 2.175 10 0 CEAERO CCC[C@]1(C(=O)N(CC)Cc2ccncc2)CC[NH2+]C1 ZINC000062896219 521297107 /nfs/dbraw/zinc/29/71/07/521297107.db2.gz UHXCXXUOKGFYKJ-INIZCTEOSA-N 1 0 275.396 2.210 10 0 CEAERO CCC(C)(C)N(C)C1(C[NH3+])C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000069430254 521299993 /nfs/dbraw/zinc/29/99/93/521299993.db2.gz XVOYDCMEWMRUAE-NNQSOWQGSA-N 1 0 253.434 2.061 10 0 CEAERO CCOc1ccc2[nH]c(SC[C@H](C[NH3+])OCC)nc2c1 ZINC000062740563 521308557 /nfs/dbraw/zinc/30/85/57/521308557.db2.gz BETQVQWSNPBFIG-NSHDSACASA-N 1 0 295.408 2.418 10 0 CEAERO CCOc1cccc(-c2nccc(C[C@@H](C)[NH3+])n2)c1 ZINC000054834383 521311496 /nfs/dbraw/zinc/31/14/96/521311496.db2.gz AVFCLWZLUKEJTH-LLVKDONJSA-N 1 0 257.337 2.432 10 0 CEAERO CCOC(=O)[C@](C)(N)CC[NH+]1CCC(C)(CC)CC1 ZINC000062956153 521327953 /nfs/dbraw/zinc/32/79/53/521327953.db2.gz VSZGGOCUKDSIIL-OAHLLOKOSA-N 1 0 270.417 2.169 10 0 CEAERO CCOc1cccc(NC[C@@H](O)C[NH+](CC)CC)c1 ZINC000049565769 521399484 /nfs/dbraw/zinc/39/94/84/521399484.db2.gz UJHULLMCBWXGAB-CQSZACIVSA-N 1 0 266.385 2.200 10 0 CEAERO CCN(Cc1ccco1)[C@@H](C)C[NH2+]C[C@@H]1CCCO1 ZINC000053497647 521400332 /nfs/dbraw/zinc/40/03/32/521400332.db2.gz IZUYCKAAUVBQHY-KBPBESRZSA-N 1 0 266.385 2.259 10 0 CEAERO CCN(Cc1ccncc1)c1nc(C)cc(C)c1C(N)=[NH2+] ZINC000049024289 521425134 /nfs/dbraw/zinc/42/51/34/521425134.db2.gz GXWJUYBMVGNPCW-UHFFFAOYSA-N 1 0 283.379 2.404 10 0 CEAERO CCC(CC)(C[NH2+]C)Cc1nnnn1-c1ccccc1 ZINC000054658480 521440060 /nfs/dbraw/zinc/44/00/60/521440060.db2.gz BMIJTYKSHGAHDG-UHFFFAOYSA-N 1 0 273.384 2.231 10 0 CEAERO CCCN(C(=O)c1ccc2c[nH]nc2c1)[C@@H]1CCC[NH2+]C1 ZINC000061669944 521444005 /nfs/dbraw/zinc/44/40/05/521444005.db2.gz JCURYYWZWBYKTC-CQSZACIVSA-N 1 0 286.379 2.167 10 0 CEAERO CCOC(=O)c1cc(NCC[N@H+](C)C(C)C)ccc1N ZINC000054128781 521444252 /nfs/dbraw/zinc/44/42/52/521444252.db2.gz UXBYXVVFJQNHMG-UHFFFAOYSA-N 1 0 279.384 2.198 10 0 CEAERO CCCN(C(=O)c1ccc2c[nH]nc2c1)[C@H]1CCC[NH2+]C1 ZINC000061669945 521444808 /nfs/dbraw/zinc/44/48/08/521444808.db2.gz JCURYYWZWBYKTC-AWEZNQCLSA-N 1 0 286.379 2.167 10 0 CEAERO CCC(CC)(CO)[NH2+]C[C@@H](O)COc1ccc(C)cc1C ZINC000053070498 521458927 /nfs/dbraw/zinc/45/89/27/521458927.db2.gz DRXAMAMMZCIBIL-OAHLLOKOSA-N 1 0 295.423 2.184 10 0 CEAERO CCN(c1ccc(F)cc1C[NH2+]CCOC)[C@H](C)COC ZINC000062737891 521489511 /nfs/dbraw/zinc/48/95/11/521489511.db2.gz JBRDWJSPAMGRDK-CYBMUJFWSA-N 1 0 298.402 2.423 10 0 CEAERO CCN(c1ccccc1C)S(=O)(=O)C[C@H]1CCCC[NH2+]1 ZINC000049630741 521500839 /nfs/dbraw/zinc/50/08/39/521500839.db2.gz LQAXVKYABVJPAZ-CQSZACIVSA-N 1 0 296.436 2.293 10 0 CEAERO CCCc1nc(N2CCO[C@@H](C)C2)sc1C[NH2+]C ZINC000054995761 521534779 /nfs/dbraw/zinc/53/47/79/521534779.db2.gz QASSDOVLXQSMTQ-JTQLQIEISA-N 1 0 269.414 2.040 10 0 CEAERO CCOC(=O)c1cccnc1N(C)CC[C@H]([NH3+])C(C)C ZINC000156801785 521556428 /nfs/dbraw/zinc/55/64/28/521556428.db2.gz SXEPKEVAXSKGFT-ZDUSSCGKSA-N 1 0 279.384 2.068 10 0 CEAERO CCC(CC)N(CCOC)C(=O)[C@@H]1CCC[C@@H](C[NH3+])C1 ZINC000055161243 521556863 /nfs/dbraw/zinc/55/68/63/521556863.db2.gz ZYOVWVQWZRYTEC-ZIAGYGMSSA-N 1 0 284.444 2.415 10 0 CEAERO CC[NH+]1CCC(N(C)c2ncc([C@H](C)O)s2)CC1 ZINC000054928000 521569950 /nfs/dbraw/zinc/56/99/50/521569950.db2.gz NPHBXTMXLQKMDF-JTQLQIEISA-N 1 0 269.414 2.117 10 0 CEAERO CCOC(=O)c1c[nH+]c2cc(OC)cc(OC)c2c1NC ZINC000050843242 521576955 /nfs/dbraw/zinc/57/69/55/521576955.db2.gz GYVCRDLPVQZXHU-UHFFFAOYSA-N 1 0 290.319 2.470 10 0 CEAERO CCCN(CC(F)(F)F)C(=O)C(C)(C)[NH2+]CC ZINC000061295295 521584582 /nfs/dbraw/zinc/58/45/82/521584582.db2.gz SMTQESBPBBBKRL-UHFFFAOYSA-N 1 0 254.296 2.175 10 0 CEAERO CCOC(=O)c1nc(CN2CCCC[C@H]2[C@@H](C)[NH3+])cs1 ZINC000063194692 521597692 /nfs/dbraw/zinc/59/76/92/521597692.db2.gz SQAMVRHCVKZDGX-PWSUYJOCSA-N 1 0 297.424 2.022 10 0 CEAERO CCCN(CC)c1nc(C)c(C[NH2+]CCOC)s1 ZINC000054996686 521618536 /nfs/dbraw/zinc/61/85/36/521618536.db2.gz JMRWQMKRYWHBKN-UHFFFAOYSA-N 1 0 271.430 2.424 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C)ccc1NC ZINC000053000601 521638122 /nfs/dbraw/zinc/63/81/22/521638122.db2.gz ZIKBJUZYGWYNIP-CYBMUJFWSA-N 1 0 275.396 2.251 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)c2ccc(C)o2)C1 ZINC000052501162 521646287 /nfs/dbraw/zinc/64/62/87/521646287.db2.gz BCJANSRFFQMSGO-STQMWFEESA-N 1 0 279.384 2.433 10 0 CEAERO CCC[NH+](CCC)C[C@](NC(C)C)(C(=O)OC)C1CC1 ZINC000069095599 521648385 /nfs/dbraw/zinc/64/83/85/521648385.db2.gz KRUWLOGBAIJOMK-MRXNPFEDSA-N 1 0 284.444 2.428 10 0 CEAERO CCCN(CCC[NH3+])C(=O)c1cc(F)c(F)c(F)c1 ZINC000063003850 521653467 /nfs/dbraw/zinc/65/34/67/521653467.db2.gz CDYZPOVPVQIPCJ-UHFFFAOYSA-N 1 0 274.286 2.305 10 0 CEAERO CCOC1CCN(C(=O)[C@@H]2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000055161882 521654962 /nfs/dbraw/zinc/65/49/62/521654962.db2.gz ROFOVOGQBCMXJN-UONOGXRCSA-N 1 0 282.428 2.169 10 0 CEAERO CCOC1CCN(c2ncc([C@@H](C)[NH2+]C)s2)CC1 ZINC000054905841 521657740 /nfs/dbraw/zinc/65/77/40/521657740.db2.gz SNPIIBZAZHVPEU-SNVBAGLBSA-N 1 0 269.414 2.429 10 0 CEAERO CCOC1CCN(c2ncc([C@H](C)[NH2+]C)s2)CC1 ZINC000054905843 521657875 /nfs/dbraw/zinc/65/78/75/521657875.db2.gz SNPIIBZAZHVPEU-JTQLQIEISA-N 1 0 269.414 2.429 10 0 CEAERO CCOCCC(=O)Nc1ccc([C@H](C)[NH2+]C)cc1 ZINC000053732942 521677624 /nfs/dbraw/zinc/67/76/24/521677624.db2.gz ODUHFZQDWOCPEA-NSHDSACASA-N 1 0 250.342 2.332 10 0 CEAERO CCN1CC[NH+]([C@H](CC(N)=S)c2ccccc2)CC1 ZINC000055024541 521694921 /nfs/dbraw/zinc/69/49/21/521694921.db2.gz YTYBFYRZLBOEST-CQSZACIVSA-N 1 0 277.437 2.041 10 0 CEAERO CCCN1C(=O)C[C@H]([NH2+]C2CCC(CC)CC2)C1=O ZINC000049118545 521699574 /nfs/dbraw/zinc/69/95/74/521699574.db2.gz HZSNQUOUKPAGJU-BPCQOVAHSA-N 1 0 266.385 2.082 10 0 CEAERO CCNC(=O)CC[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000156963803 521735672 /nfs/dbraw/zinc/73/56/72/521735672.db2.gz FQVUAPWXFSUCFW-LBPRGKRZSA-N 1 0 281.425 2.157 10 0 CEAERO CCNC(=O)[C@@H](C)Oc1cccc2c1CC[C@H]2[NH2+]CC ZINC000062799720 521743983 /nfs/dbraw/zinc/74/39/83/521743983.db2.gz YZIXJNVLOFXXEU-BXUZGUMPSA-N 1 0 276.380 2.187 10 0 CEAERO CC[C@@H](C(N)=[NH2+])n1nc(C)c(Br)c1C ZINC000050593439 521801746 /nfs/dbraw/zinc/80/17/46/521801746.db2.gz FYDRWHUBXSZRAS-ZETCQYMHSA-N 1 0 259.151 2.150 10 0 CEAERO COc1c(C)cnc(CN(C)CC[NH2+]CC(C)C)c1C ZINC000053661378 521807163 /nfs/dbraw/zinc/80/71/63/521807163.db2.gz UEGACIRPVAUTGY-UHFFFAOYSA-N 1 0 279.428 2.384 10 0 CEAERO CNC(=O)c1ccc(C[NH2+]C[C@H](C)CSC)cc1 ZINC000069439465 521819700 /nfs/dbraw/zinc/81/97/00/521819700.db2.gz HQGOGKVIHUDPJF-NSHDSACASA-N 1 0 266.410 2.135 10 0 CEAERO CN(C)C[C@@H]1CCC[N@@H+]1CCC(=O)c1cccc(F)c1 ZINC000061653397 521838448 /nfs/dbraw/zinc/83/84/48/521838448.db2.gz QBUOXKLTQDXYIX-HNNXBMFYSA-N 1 0 278.371 2.425 10 0 CEAERO C[NH+](C)C[C@@H]1CCCN1Cc1ccc(N)cc1Cl ZINC000061642257 521841379 /nfs/dbraw/zinc/84/13/79/521841379.db2.gz MYMVYOIKMDFQEA-ZDUSSCGKSA-N 1 0 267.804 2.448 10 0 CEAERO C[NH+](C)C[C@@H]1CCCN1c1nc(CO)cc2ccccc21 ZINC000061652015 521844928 /nfs/dbraw/zinc/84/49/28/521844928.db2.gz XPKYZJLZPJLASV-HNNXBMFYSA-N 1 0 285.391 2.258 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N(C)CCOc1ccccc1Cl ZINC000061316990 521930968 /nfs/dbraw/zinc/93/09/68/521930968.db2.gz USRUHTYNVBJAEL-UHFFFAOYSA-N 1 0 284.787 2.175 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000061316964 521931573 /nfs/dbraw/zinc/93/15/73/521931573.db2.gz CWQHRAYYZDTPMD-UHFFFAOYSA-N 1 0 277.393 2.253 10 0 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/nfs/dbraw/zinc/64/74/99/523647499.db2.gz BKGWSMRTSFKBAO-ZACCUICWSA-N 1 0 293.798 2.158 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@@H](C)CN1Cc1cn2ccccc2n1 ZINC000068698412 523719901 /nfs/dbraw/zinc/71/99/01/523719901.db2.gz KXNCZJOSFONPQT-BBRMVZONSA-N 1 0 272.396 2.297 10 0 CEAERO CO[C@@H]1C[NH2+][C@@H](c2nc3c([nH]2)CCc2sccc2-3)C1 ZINC000061327097 523742057 /nfs/dbraw/zinc/74/20/57/523742057.db2.gz AJXASNWMOQZUOB-GZMMTYOYSA-N 1 0 275.377 2.286 10 0 CEAERO COc1ccc(C)cc1CN(C)CC[NH2+]C(C)C ZINC000050705058 523807685 /nfs/dbraw/zinc/80/76/85/523807685.db2.gz DSHGHFXEVSQIRH-UHFFFAOYSA-N 1 0 250.386 2.433 10 0 CEAERO CCc1cc2c(ncnc2N(C)[C@@H](C)CC[NH3+])s1 ZINC000063086531 523849163 /nfs/dbraw/zinc/84/91/63/523849163.db2.gz ZYPBUBABUWKVEM-VIFPVBQESA-N 1 0 264.398 2.427 10 0 CEAERO CC[C@H](C)CN(C)Cc1[nH+]c(NN)ccc1Cl ZINC000061639098 523870155 /nfs/dbraw/zinc/87/01/55/523870155.db2.gz LCTSUGSTPXLUEG-VIFPVBQESA-N 1 0 256.781 2.499 10 0 CEAERO CCc1ccc(C(=O)CN2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061645710 523879777 /nfs/dbraw/zinc/87/97/77/523879777.db2.gz CBBJKNYWMQXQKT-MRXNPFEDSA-N 1 0 274.408 2.458 10 0 CEAERO COCCN1C[C@@H](CC(C)C)[NH2+]C[C@H]1CC(C)C ZINC000062626412 523883228 /nfs/dbraw/zinc/88/32/28/523883228.db2.gz UHLWRVJEXFGEMQ-HUUCEWRRSA-N 1 0 256.434 2.367 10 0 CEAERO CC[C@H](C)C[NH2+]C[C@H](O)c1ccc2c(c1)OCO2 ZINC000054471270 523884059 /nfs/dbraw/zinc/88/40/59/523884059.db2.gz HLLGGXOIBMCBLY-JQWIXIFHSA-N 1 0 251.326 2.084 10 0 CEAERO CC[C@H](C)CNS(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000054489114 523885299 /nfs/dbraw/zinc/88/52/99/523885299.db2.gz VWMXNPKWDPVLHW-WDEREUQCSA-N 1 0 270.398 2.031 10 0 CEAERO CC[C@H](C)C[NH2+][C@H](C)c1cccc(-n2cnnn2)c1 ZINC000054467323 523886258 /nfs/dbraw/zinc/88/62/58/523886258.db2.gz PNUPRXNGPZXBML-NWDGAFQWSA-N 1 0 259.357 2.359 10 0 CEAERO COC(=O)[C@H](C)Oc1cccc(C[NH2+]CC(C)C)c1 ZINC000062731567 523887421 /nfs/dbraw/zinc/88/74/21/523887421.db2.gz UVHRYKXHIGLKDG-LBPRGKRZSA-N 1 0 265.353 2.373 10 0 CEAERO COCC[NH2+]CCCSc1ncnc2ccccc21 ZINC000053623441 523935789 /nfs/dbraw/zinc/93/57/89/523935789.db2.gz XLMZAVBAIIFRKJ-UHFFFAOYSA-N 1 0 277.393 2.348 10 0 CEAERO CC[C@H](C)N(CCOC)C(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050951476 523936996 /nfs/dbraw/zinc/93/69/96/523936996.db2.gz SVNXVTDIPGJCRY-KBPBESRZSA-N 1 0 270.417 2.182 10 0 CEAERO COCC[NH2+]C[C@@H]1CCCN(c2ncccc2Cl)C1 ZINC000053703321 523940423 /nfs/dbraw/zinc/94/04/23/523940423.db2.gz CUQAAIIEMALQTK-LBPRGKRZSA-N 1 0 283.803 2.187 10 0 CEAERO COCC[NH2+]C[C@@H]1C[C@]1(C)c1ccc2c(c1)OCCCO2 ZINC000054599015 523941266 /nfs/dbraw/zinc/94/12/66/523941266.db2.gz ZDNZYHLBESZKTB-WMLDXEAASA-N 1 0 291.391 2.362 10 0 CEAERO COCC[NH2+]C[C@@H]1C[C@]1(C)c1ccc(OC)cc1OC ZINC000054599243 523941552 /nfs/dbraw/zinc/94/15/52/523941552.db2.gz NTBBADNEZACQCX-LRDDRELGSA-N 1 0 279.380 2.217 10 0 CEAERO COCC[NH2+]C[C@@H]1C[C@@]1(C)c1ccc2c(c1)OCCCO2 ZINC000054599016 523941566 /nfs/dbraw/zinc/94/15/66/523941566.db2.gz ZDNZYHLBESZKTB-YOEHRIQHSA-N 1 0 291.391 2.362 10 0 CEAERO COCC[NH2+]C[C@H](C)c1c(C)nc(N2CCCC2)nc1C ZINC000054855194 523942820 /nfs/dbraw/zinc/94/28/20/523942820.db2.gz JDJQDCXGQIMHEL-LBPRGKRZSA-N 1 0 292.427 2.033 10 0 CEAERO COCC[NH2+]C[C@](O)(c1ccc(Cl)cc1)C1CC1 ZINC000055033649 523946252 /nfs/dbraw/zinc/94/62/52/523946252.db2.gz FHGQIPYOABNROL-CQSZACIVSA-N 1 0 269.772 2.174 10 0 CEAERO COCC[NH2+]Cc1c(C)nc(-c2ccccc2)nc1C ZINC000054854562 523946364 /nfs/dbraw/zinc/94/63/64/523946364.db2.gz SCNJGKCIHHFCKT-UHFFFAOYSA-N 1 0 271.364 2.496 10 0 CEAERO COCC[NH2+]Cc1c(Cl)cccc1-n1ccnc1 ZINC000062738568 523947566 /nfs/dbraw/zinc/94/75/66/523947566.db2.gz BMBLNQLOXFQKDI-UHFFFAOYSA-N 1 0 265.744 2.262 10 0 CEAERO COCC[NH2+]Cc1c(C)nn(C)c1N1CCCCCCC1 ZINC000062734922 523947770 /nfs/dbraw/zinc/94/77/70/523947770.db2.gz GHNFGQPSOVSVRH-UHFFFAOYSA-N 1 0 294.443 2.235 10 0 CEAERO CN1CCO[C@H](C[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000188176811 523950883 /nfs/dbraw/zinc/95/08/83/523950883.db2.gz DPTZTOTXMNZEOQ-KZNAEPCWSA-N 1 0 288.435 2.417 10 0 CEAERO CCc1ccc(C[C@@]2(C[NH2+]CCOC)CCOC2)s1 ZINC000054666330 523951548 /nfs/dbraw/zinc/95/15/48/523951548.db2.gz IPGVUEVWCPBUKW-OAHLLOKOSA-N 1 0 283.437 2.496 10 0 CEAERO COCC[NH2+]Cc1cccc(OC)c1OCC(F)(F)F ZINC000062732355 523954649 /nfs/dbraw/zinc/95/46/49/523954649.db2.gz MFHHPZBDUMTWRB-UHFFFAOYSA-N 1 0 293.285 2.372 10 0 CEAERO COCC[NH2+]Cc1ccccc1N1CCO[C@@H]2CCC[C@@H]21 ZINC000062737974 523956095 /nfs/dbraw/zinc/95/60/95/523956095.db2.gz JMCQKTGDTMNDFN-DLBZAZTESA-N 1 0 290.407 2.180 10 0 CEAERO CC[C@H](C)N1CC[NH+]([C@H]2CCCCCC[C@@H]2O)CC1 ZINC000055069814 523959677 /nfs/dbraw/zinc/95/96/77/523959677.db2.gz VZTUTRLKJHMYQV-JYJNAYRXSA-N 1 0 268.445 2.486 10 0 CEAERO CC[C@H](C)[NH+]1CCN(c2nc3c(s2)[C@H](O)CCC3)CC1 ZINC000055076425 523961418 /nfs/dbraw/zinc/96/14/18/523961418.db2.gz JMGSGBQBQWHWIM-WCQYABFASA-N 1 0 295.452 2.433 10 0 CEAERO COc1ccc(CN(C)Cc2ccnc(C(N)=[NH2+])c2)cc1 ZINC000068761338 524006528 /nfs/dbraw/zinc/00/65/28/524006528.db2.gz BOWMOHMXTMXFRF-UHFFFAOYSA-N 1 0 284.363 2.006 10 0 CEAERO CCc1ccc(O[C@@H](C)C[C@@](C)([NH2+]C2CC2)C(N)=O)cc1 ZINC000068655633 524008289 /nfs/dbraw/zinc/00/82/89/524008289.db2.gz DCOQTBOUVOICJX-YVEFUNNKSA-N 1 0 290.407 2.402 10 0 CEAERO COCCO[C@@H](C[NH2+]C1CC1)c1ccc(OC)cc1 ZINC000050495553 524029371 /nfs/dbraw/zinc/02/93/71/524029371.db2.gz JLSFNQKYTYZQCX-HNNXBMFYSA-N 1 0 265.353 2.151 10 0 CEAERO COc1ccc(CN2CCC[C@H]2C[NH3+])cc1Br ZINC000049596424 524030194 /nfs/dbraw/zinc/03/01/94/524030194.db2.gz LMIHEARRPGOQDH-NSHDSACASA-N 1 0 299.212 2.381 10 0 CEAERO C[NH+](C)C1CCN(c2c(N)ccc(F)c2F)CC1 ZINC000053165459 524041043 /nfs/dbraw/zinc/04/10/43/524041043.db2.gz DLZSOKMETWWSMU-UHFFFAOYSA-N 1 0 255.312 2.077 10 0 CEAERO CCc1ccc([C@@](O)(CC)C[NH2+]CCOC)cc1 ZINC000055033646 524041347 /nfs/dbraw/zinc/04/13/47/524041347.db2.gz PPQNHAYZHQFGBG-OAHLLOKOSA-N 1 0 251.370 2.083 10 0 CEAERO CCc1ccc([C@H](C)NC(=O)[C@H](C)C2C[NH2+]C2)cc1 ZINC000163965161 524045026 /nfs/dbraw/zinc/04/50/26/524045026.db2.gz KVIHHIUSQFUYPX-NEPJUHHUSA-N 1 0 260.381 2.282 10 0 CEAERO C[NH+](C)CCCNC(=O)CCc1nc(C(C)(C)C)cs1 ZINC000062619753 524056153 /nfs/dbraw/zinc/05/61/53/524056153.db2.gz LVWXJOGNCGYSRS-UHFFFAOYSA-N 1 0 297.468 2.441 10 0 CEAERO CNC(=O)CCCOc1ccccc1C[NH2+]C(C)C ZINC000068816142 524065929 /nfs/dbraw/zinc/06/59/29/524065929.db2.gz BYALFZQJSYMHBL-UHFFFAOYSA-N 1 0 264.369 2.090 10 0 CEAERO CNC(=O)COc1ccc(C[NH2+]C(C)(C)C)cc1Cl ZINC000062730220 524074931 /nfs/dbraw/zinc/07/49/31/524074931.db2.gz WLTGWHCCOPGOHJ-UHFFFAOYSA-N 1 0 284.787 2.353 10 0 CEAERO CNC(=O)[C@@H](C)Oc1ccc(OC)cc1C[NH2+]C(C)(C)C ZINC000062727531 524081001 /nfs/dbraw/zinc/08/10/01/524081001.db2.gz CUIWBAWLJVMCAL-LLVKDONJSA-N 1 0 294.395 2.097 10 0 CEAERO Cc1cc(C(=O)NC[C@@H]2CC[C@H](C)[NH2+]C2)ccc1F ZINC000063056178 524091296 /nfs/dbraw/zinc/09/12/96/524091296.db2.gz YTOVPQTVZGBBLT-NWDGAFQWSA-N 1 0 264.344 2.252 10 0 CEAERO C[C@H]1CCCN(Cc2[nH+]c(NN)ccc2Cl)C1 ZINC000061638933 524098170 /nfs/dbraw/zinc/09/81/70/524098170.db2.gz SXEBCPYIVVKVND-VIFPVBQESA-N 1 0 254.765 2.253 10 0 CEAERO CNC(=O)[C@H](C)[NH2+]C1c2ccccc2Cc2ccccc21 ZINC000061669871 524100364 /nfs/dbraw/zinc/10/03/64/524100364.db2.gz JAVCYGCAMSCOCC-LBPRGKRZSA-N 1 0 280.371 2.404 10 0 CEAERO COc1ccc(C[C@@H](C[NH3+])C(=O)N2CCCCC2)cc1C ZINC000050596620 524139020 /nfs/dbraw/zinc/13/90/20/524139020.db2.gz IIDWCHWJEMAKTP-HNNXBMFYSA-N 1 0 290.407 2.134 10 0 CEAERO COc1ccc(C[C@@H]([NH3+])Cc2ccncc2)cc1F ZINC000060708642 524140317 /nfs/dbraw/zinc/14/03/17/524140317.db2.gz WBKZVQJBHFKRSX-ZDUSSCGKSA-N 1 0 260.312 2.342 10 0 CEAERO C[C@H](CC[NH+](C)C)NCc1ccc2c(c1)OCCCO2 ZINC000049554414 524165633 /nfs/dbraw/zinc/16/56/33/524165633.db2.gz TVUPUAOMLWEAHL-CYBMUJFWSA-N 1 0 278.396 2.278 10 0 CEAERO COc1ccc(Cc2ncc([C@H](C)[NH3+])c(C)n2)cc1OC ZINC000054962529 524166975 /nfs/dbraw/zinc/16/69/75/524166975.db2.gz ZQWLJJHCUHHZOM-JTQLQIEISA-N 1 0 287.363 2.413 10 0 CEAERO C[C@H]1CCC[C@]([NH3+])(c2noc(C3CCOCC3)n2)C1 ZINC000061673819 524224792 /nfs/dbraw/zinc/22/47/92/524224792.db2.gz CCUABVZZXPBATR-IINYFYTJSA-N 1 0 265.357 2.328 10 0 CEAERO C[C@H]1CCN(C(=O)C2CCC(C[NH3+])CC2)[C@@H](C)C1 ZINC000055148194 524234041 /nfs/dbraw/zinc/23/40/41/524234041.db2.gz SCNJGPSJWBCQQO-FEPKRQSRSA-N 1 0 252.402 2.399 10 0 CEAERO C[C@@H]1CCCN(Cc2noc(-c3ccsc3)n2)[C@@H]1C[NH3+] ZINC000070178317 524237465 /nfs/dbraw/zinc/23/74/65/524237465.db2.gz LKFHJKIWFIYQJE-ZYHUDNBSSA-N 1 0 292.408 2.357 10 0 CEAERO C[C@@H](C(=O)Nc1ccc(Cl)cc1F)C1C[NH2+]C1 ZINC000164022454 524254037 /nfs/dbraw/zinc/25/40/37/524254037.db2.gz CBAYITBSDUIYLV-SSDOTTSWSA-N 1 0 256.708 2.273 10 0 CEAERO C[C@@H]1CCC[C@@H](C(=O)NCc2ccc(F)cc2F)[NH2+]1 ZINC000051017941 524266368 /nfs/dbraw/zinc/26/63/68/524266368.db2.gz JKBCCNRKDUMVBQ-RNCFNFMXSA-N 1 0 268.307 2.112 10 0 CEAERO Cc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@H]1CCCO ZINC000052762892 524272278 /nfs/dbraw/zinc/27/22/78/524272278.db2.gz CFHCSSSZHXAUIK-HNNXBMFYSA-N 1 0 290.407 2.479 10 0 CEAERO C[C@H](C[NH3+])C(=O)N1CCCCC[C@H]1c1cccn1C ZINC000054340722 524303683 /nfs/dbraw/zinc/30/36/83/524303683.db2.gz XJYSBQIJXGQAHW-OCCSQVGLSA-N 1 0 263.385 2.064 10 0 CEAERO C[C@H](C[NH3+])C(=O)Nc1cc(Cl)ccc1-n1cccn1 ZINC000054340215 524305618 /nfs/dbraw/zinc/30/56/18/524305618.db2.gz GVEDWAXHOVNNRJ-SECBINFHSA-N 1 0 278.743 2.059 10 0 CEAERO C[C@@H]1CCC[C@@H](NC(=O)C[C@@H]2CCC[NH2+]C2)[C@@H]1C ZINC000054290369 524307737 /nfs/dbraw/zinc/30/77/37/524307737.db2.gz WLQCKADWDLRGBU-YIYPIFLZSA-N 1 0 252.402 2.317 10 0 CEAERO Cc1cccc(CC(=O)N2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000052136920 524339766 /nfs/dbraw/zinc/33/97/66/524339766.db2.gz OUFMMNJGVNPVNW-HOTGVXAUSA-N 1 0 272.392 2.281 10 0 CEAERO C[C@H]1CC[C@@H](C[NH3+])CN1C(=O)Nc1cccc(F)c1 ZINC000070180903 524349168 /nfs/dbraw/zinc/34/91/68/524349168.db2.gz PXLGDGCITNRCMR-QWRGUYRKSA-N 1 0 265.332 2.417 10 0 CEAERO C[C@H]1CC[C@@H](NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)C[C@@H]1C ZINC000068584526 524367494 /nfs/dbraw/zinc/36/74/94/524367494.db2.gz MQXXFVXZKBHUJJ-KQXIARHKSA-N 1 0 292.345 2.469 10 0 CEAERO COc1ccc(N)cc1CN1CC[NH+](CC(C)C)CC1 ZINC000055076855 524376017 /nfs/dbraw/zinc/37/60/17/524376017.db2.gz NNHJKBLVACMAQY-UHFFFAOYSA-N 1 0 277.412 2.051 10 0 CEAERO C[C@H]1CC[C@H](C(=O)N(CC[NH+](C)C)c2ccccc2)O1 ZINC000151081400 524378896 /nfs/dbraw/zinc/37/88/96/524378896.db2.gz HNESNWQXAYMCOI-DZGCQCFKSA-N 1 0 276.380 2.149 10 0 CEAERO C[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])Cc2ccccc2)C[C@@H]1C ZINC000068584352 524420124 /nfs/dbraw/zinc/42/01/24/524420124.db2.gz HJGKAPSRVGIPBJ-SDADXPQNSA-N 1 0 274.408 2.497 10 0 CEAERO C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1C[C@@H](C)Nc2ccccc21 ZINC000049560265 524470093 /nfs/dbraw/zinc/47/00/93/524470093.db2.gz RLESZKLXHOCARQ-GZBFAFLISA-N 1 0 289.423 2.431 10 0 CEAERO COc1ccc(NC(=O)[C@@H]([NH3+])C(C)(C)C)cc1C ZINC000049531953 524589689 /nfs/dbraw/zinc/58/96/89/524589689.db2.gz DPKLAWZLMWNPQW-GFCCVEGCSA-N 1 0 250.342 2.316 10 0 CEAERO C[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc2c(c1)CCCN2 ZINC000049184860 524590534 /nfs/dbraw/zinc/59/05/34/524590534.db2.gz XXINIJIUQVRWKM-ZDUSSCGKSA-N 1 0 287.407 2.259 10 0 CEAERO C[C@@H](C[NH+]1CCCC1)NCc1cnc2ccccc2n1 ZINC000049150928 524593713 /nfs/dbraw/zinc/59/37/13/524593713.db2.gz CDFNSSPHPQJMSW-ZDUSSCGKSA-N 1 0 270.380 2.204 10 0 CEAERO C[C@@H](C[NH+]1CCCC1)N[C@H]1CC(=O)N(C)c2ccccc21 ZINC000049151451 524595996 /nfs/dbraw/zinc/59/59/96/524595996.db2.gz PRMKRZVVNRNMOC-ZFWWWQNUSA-N 1 0 287.407 2.168 10 0 CEAERO C[C@@H](CN1CCCCC1)[NH2+][C@@H]1CCCCC[C@@H]1O ZINC000049500959 524607061 /nfs/dbraw/zinc/60/70/61/524607061.db2.gz RVGDGOPPASLZOA-ZNMIVQPWSA-N 1 0 254.418 2.144 10 0 CEAERO COc1ccccc1NC(=O)NC[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000062037342 524614667 /nfs/dbraw/zinc/61/46/67/524614667.db2.gz ZKFQNGRAOWZNNI-NWDGAFQWSA-N 1 0 277.368 2.205 10 0 CEAERO C[C@@H](CN1CCOCC1)[NH2+]Cc1ccc2ccccc2n1 ZINC000049505500 524627781 /nfs/dbraw/zinc/62/77/81/524627781.db2.gz JQRHSGDQPDKLRP-AWEZNQCLSA-N 1 0 285.391 2.045 10 0 CEAERO Cc1cc(C[NH3+])ccc1-n1nnc(-c2ccccc2)n1 ZINC000050562393 524671587 /nfs/dbraw/zinc/67/15/87/524671587.db2.gz VFWFDORHMMZTJC-UHFFFAOYSA-N 1 0 265.320 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262.382 2.146 10 0 CEAERO COc1ccc([C@@H](C[NH3+])Sc2nnc(C)o2)cc1 ZINC000051037935 525178921 /nfs/dbraw/zinc/17/89/21/525178921.db2.gz YKBXQMUUIVRALK-LLVKDONJSA-N 1 0 265.338 2.179 10 0 CEAERO Cc1ccccc1CSC[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000054964697 525183369 /nfs/dbraw/zinc/18/33/69/525183369.db2.gz VUFDEJPUSGCWLC-OAHLLOKOSA-N 1 0 280.437 2.470 10 0 CEAERO C[C@@H]1C[C@@H](C)C[NH+](Cc2cccnc2C(N)=S)C1 ZINC000061659660 525212366 /nfs/dbraw/zinc/21/23/66/525212366.db2.gz WVIJZLIMHUSZSQ-GHMZBOCLSA-N 1 0 263.410 2.194 10 0 CEAERO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccnc(C(N)=S)c2)C1 ZINC000068751775 525212385 /nfs/dbraw/zinc/21/23/85/525212385.db2.gz HWMMUEWZXATOCT-GHMZBOCLSA-N 1 0 263.410 2.194 10 0 CEAERO Cc1cc(NC(=O)[C@@H]2CC[NH2+]C2)c2ccccc2n1 ZINC000062112173 525218559 /nfs/dbraw/zinc/21/85/59/525218559.db2.gz ZYBWGIWUIQOFGJ-LLVKDONJSA-N 1 0 255.321 2.091 10 0 CEAERO CS(=O)(=O)[C@@H](c1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC000054930115 525231272 /nfs/dbraw/zinc/23/12/72/525231272.db2.gz SJTFQDOISANBHP-GJZGRUSLSA-N 1 0 275.373 2.472 10 0 CEAERO Cc1cc(NCC(C)(C)C[NH+](C)C)nc(Cl)n1 ZINC000052814246 525267525 /nfs/dbraw/zinc/26/75/25/525267525.db2.gz CGRHBYMOFHZCCC-UHFFFAOYSA-N 1 0 256.781 2.438 10 0 CEAERO C[C@]1(c2ccc(S(C)(=O)=O)cc2)C[C@H]1C[NH2+]C1CC1 ZINC000054596400 525318659 /nfs/dbraw/zinc/31/86/59/525318659.db2.gz VHYJQFALPGMVKL-SWLSCSKDSA-N 1 0 279.405 2.120 10 0 CEAERO C[C@]1(c2ccccc2)C[N@H+](C[C@@H]2CCCCO2)CCN1 ZINC000068693703 525331610 /nfs/dbraw/zinc/33/16/10/525331610.db2.gz LJSJVGSTAZLNGN-DLBZAZTESA-N 1 0 274.408 2.376 10 0 CEAERO COc1ccc([C@H]([NH2+]C2CCCC2)C(N)=O)cc1C ZINC000050597194 525371953 /nfs/dbraw/zinc/37/19/53/525371953.db2.gz HCIKRMRMIWNFRB-AWEZNQCLSA-N 1 0 262.353 2.062 10 0 CEAERO Cc1ccc(OC2CCOCC2)c(N2CCC[C@@H]([NH3+])C2)c1 ZINC000069310968 525376236 /nfs/dbraw/zinc/37/62/36/525376236.db2.gz QDGVWMPQWYCMLX-CQSZACIVSA-N 1 0 290.407 2.480 10 0 CEAERO COc1ccc([C@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000054685556 525378658 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C[C@@H]([NH2+]CCCOc1ccc2c(c1)OCO2)[C@@H]1CCCO1 ZINC000183108298 525442330 /nfs/dbraw/zinc/44/23/30/525442330.db2.gz IGINVXADVPUUPY-OCCSQVGLSA-N 1 0 293.363 2.341 10 0 CEAERO CSCCC[NH2+]Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000069443370 525480551 /nfs/dbraw/zinc/48/05/51/525480551.db2.gz QPEAOULSSOEUKM-UHFFFAOYSA-N 1 0 297.811 2.419 10 0 CEAERO C[C@@H]1C[C@H]1[NH2+]Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000052287590 525498721 /nfs/dbraw/zinc/49/87/21/525498721.db2.gz LKSVYSNIZLPDTI-GMSGAONNSA-N 1 0 263.728 2.075 10 0 CEAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)C1CCCCCC1 ZINC000150240069 525506154 /nfs/dbraw/zinc/50/61/54/525506154.db2.gz DYXKQUZKZNSCIH-HIFRSBDPSA-N 1 0 254.418 2.266 10 0 CEAERO CSCC[NH2+][C@H](C)c1ccc(NC(N)=O)cc1 ZINC000069430529 525512834 /nfs/dbraw/zinc/51/28/34/525512834.db2.gz WMEMTOSSLRUBPH-SECBINFHSA-N 1 0 253.371 2.191 10 0 CEAERO COc1ccc2c(c1)CCC[C@@]2(O)C[NH2+]CC(C)C ZINC000055030165 525520889 /nfs/dbraw/zinc/52/08/89/525520889.db2.gz CVLPJPLSVDYVDU-MRXNPFEDSA-N 1 0 263.381 2.465 10 0 CEAERO Cc1cc([C@H](C[NH3+])N2CCSCC2)ccc1F ZINC000050545940 525536142 /nfs/dbraw/zinc/53/61/42/525536142.db2.gz XZTVWOAFHPQELQ-ZDUSSCGKSA-N 1 0 254.374 2.183 10 0 CEAERO C[C@H]([NH2+][C@@H]1CC(=O)N(C2CCCC2)C1=O)c1ccsc1 ZINC000061361966 525547915 /nfs/dbraw/zinc/54/79/15/525547915.db2.gz NHYAWKVMMBSGTG-GXFFZTMASA-N 1 0 292.404 2.469 10 0 CEAERO Cc1ccn(-c2c(C(N)=[NH2+])cnc3ccccc32)n1 ZINC000052884339 525555801 /nfs/dbraw/zinc/55/58/01/525555801.db2.gz GAPYZRMRPLYILX-UHFFFAOYSA-N 1 0 251.293 2.013 10 0 CEAERO Cc1ccc(S(=O)(=O)N[C@@H]2CCCCC[C@@H]2[NH3+])c(C)c1 ZINC000063213058 525585821 /nfs/dbraw/zinc/58/58/21/525585821.db2.gz WFYMAHPZRVRHPK-UONOGXRCSA-N 1 0 296.436 2.242 10 0 CEAERO CSC[C@@H](C)C[NH2+]C[C@H](O)c1ccc2c(c1)OCCO2 ZINC000069447837 525621576 /nfs/dbraw/zinc/62/15/76/525621576.db2.gz PWYSZNYHBZIWMI-AAEUAGOBSA-N 1 0 297.420 2.080 10 0 CEAERO CSC[C@@H](C)C[NH2+]C[C@@H](O)c1ccc2c(c1)OCO2 ZINC000069447940 525621741 /nfs/dbraw/zinc/62/17/41/525621741.db2.gz 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MPFRXXWEBRUZRI-INIZCTEOSA-N 1 0 254.333 2.177 10 0 CEAERO C[C@@]([NH3+])(C(=O)Nc1ccc2c(c1)CCO2)c1ccccc1 ZINC000052881964 525748982 /nfs/dbraw/zinc/74/89/82/525748982.db2.gz IIZRHQJTYGUEKT-KRWDZBQOSA-N 1 0 282.343 2.434 10 0 CEAERO Cc1c(N)cc(C(=O)N[C@@H](C[NH+](C)C)C(C)C)cc1F ZINC000049191975 525818219 /nfs/dbraw/zinc/81/82/19/525818219.db2.gz ACLIGUUQYINILB-AWEZNQCLSA-N 1 0 281.375 2.032 10 0 CEAERO C[C@H](O)c1cccc(NC(=O)N2CCC[C@@H]2C[NH+](C)C)c1 ZINC000061655756 525859089 /nfs/dbraw/zinc/85/90/89/525859089.db2.gz BKBCOMNOUFHGGB-SWLSCSKDSA-N 1 0 291.395 2.298 10 0 CEAERO C[C@@H](O)c1ccccc1NC(=O)CC[NH2+]C(C)(C)C ZINC000049547373 525871415 /nfs/dbraw/zinc/87/14/15/525871415.db2.gz UHZXRHKUJLGOEL-LLVKDONJSA-N 1 0 264.369 2.457 10 0 CEAERO Cc1ccsc1[C@@H]1[C@H](C[NH2+]C(C)C)OCCN1C ZINC000070287444 525885207 /nfs/dbraw/zinc/88/52/07/525885207.db2.gz IZHWBZYVXQAZSG-STQMWFEESA-N 1 0 268.426 2.426 10 0 CEAERO Cc1ccc(-n2cc(CCC[NH2+]CC(C)C)cn2)nn1 ZINC000054680955 525907016 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2.011 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)C1(c2ccccc2)CC1 ZINC000061618353 527146585 /nfs/dbraw/zinc/14/65/85/527146585.db2.gz UOHWOZOCJVGIFI-GOOCMWNKSA-N 1 0 270.376 2.199 10 0 CEAERO [NH3+]CC1CCC(C(=O)NCC2CCCCC2)CC1 ZINC000055147108 527164925 /nfs/dbraw/zinc/16/49/25/527164925.db2.gz IWHAHAVAAHDKLP-UHFFFAOYSA-N 1 0 252.402 2.448 10 0 CEAERO O=S(=O)(CC1CCCCC1)NCC[C@@H]1CCCC[NH2+]1 ZINC000049043637 527166807 /nfs/dbraw/zinc/16/68/07/527166807.db2.gz SELJTPFVYHHSIM-AWEZNQCLSA-N 1 0 288.457 2.018 10 0 CEAERO Cc1nc2ccccn2c1C[NH2+][C@@H](CN(C)C)C(C)C ZINC000049198234 527179152 /nfs/dbraw/zinc/17/91/52/527179152.db2.gz ABVSWNYNJPXNEM-AWEZNQCLSA-N 1 0 274.412 2.319 10 0 CEAERO O=S(=O)(C[C@H]1CCCC[NH2+]1)NC1CCCCCCC1 ZINC000049630709 527184935 /nfs/dbraw/zinc/18/49/35/527184935.db2.gz BPXZDBPHGMYFTO-CQSZACIVSA-N 1 0 288.457 2.161 10 0 CEAERO [NH3+]CCc1cnc(-c2cccc(Br)c2)nc1 ZINC000054857504 527197919 /nfs/dbraw/zinc/19/79/19/527197919.db2.gz YKSUVMYQPBRUPJ-UHFFFAOYSA-N 1 0 278.153 2.407 10 0 CEAERO [NH3+]C[C@@H](Cc1cc2ccccc2o1)C(=O)N1CCCC1 ZINC000068811108 527201856 /nfs/dbraw/zinc/20/18/56/527201856.db2.gz RDHRCOKJVREEHD-CYBMUJFWSA-N 1 0 272.348 2.173 10 0 CEAERO [NH3+]C[C@@H](c1ccc(Cl)cc1)N1CCCOCC1 ZINC000061914497 527206300 /nfs/dbraw/zinc/20/63/00/527206300.db2.gz UJSKFLNKSCEVMD-ZDUSSCGKSA-N 1 0 254.761 2.062 10 0 CEAERO [NH3+]C[C@@H](c1nc(Cc2ccncc2)no1)c1ccccc1 ZINC000061609474 527207276 /nfs/dbraw/zinc/20/72/76/527207276.db2.gz JLZPZFFTVNOBHP-CQSZACIVSA-N 1 0 280.331 2.146 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1N1C(=O)CC2(CCCCCC2)C1=O ZINC000061884273 527213750 /nfs/dbraw/zinc/21/37/50/527213750.db2.gz CPJMSUPXPHAKTO-STQMWFEESA-N 1 0 278.396 2.213 10 0 CEAERO [NH3+]C[C@H](c1nncn1C1CCCC1)c1ccccc1 ZINC000061609640 527230780 /nfs/dbraw/zinc/23/07/80/527230780.db2.gz IEIRKUOUCVBOAZ-AWEZNQCLSA-N 1 0 256.353 2.484 10 0 CEAERO Cn1cc(C[C@H]([NH3+])Cc2cccc(Br)c2)cn1 ZINC000050542521 527232581 /nfs/dbraw/zinc/23/25/81/527232581.db2.gz BBCTXQSZYFDDRV-CYBMUJFWSA-N 1 0 294.196 2.295 10 0 CEAERO [NH3+]Cc1ccc(C(=O)NCc2ccc(F)cc2F)cc1 ZINC000051016542 527251627 /nfs/dbraw/zinc/25/16/27/527251627.db2.gz JTVQWWDBXVLGFD-UHFFFAOYSA-N 1 0 276.286 2.354 10 0 CEAERO [NH3+]Cc1ccc(F)cc1Cn1c(=O)oc2ccccc21 ZINC000069401952 527255153 /nfs/dbraw/zinc/25/51/53/527255153.db2.gz RJYRVSCIFSYUAF-UHFFFAOYSA-N 1 0 272.279 2.241 10 0 CEAERO [NH3+]Cc1ccc(NC(=O)c2ccc3c(c2)CCO3)cc1 ZINC000050891877 527256730 /nfs/dbraw/zinc/25/67/30/527256730.db2.gz VQFFMMYWKUGHTJ-UHFFFAOYSA-N 1 0 268.316 2.333 10 0 CEAERO [NH3+]Cc1cccnc1-n1cc(-c2ccccc2)cn1 ZINC000054938016 527260520 /nfs/dbraw/zinc/26/05/20/527260520.db2.gz WSCWHMXJUOSBGG-UHFFFAOYSA-N 1 0 250.305 2.393 10 0 CEAERO [NH3+]Cc1ncccc1CN1c2ccccc2CCCC1=O ZINC000061657065 527266429 /nfs/dbraw/zinc/26/64/29/527266429.db2.gz HBIPXUCYPZHYEF-UHFFFAOYSA-N 1 0 281.359 2.410 10 0 CEAERO NNc1cc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)cc[nH+]1 ZINC000051090795 527271726 /nfs/dbraw/zinc/27/17/26/527271726.db2.gz QTJYGUTYZFUQDZ-YPMHNXCESA-N 1 0 274.368 2.020 10 0 CEAERO NNc1cc(C(=O)N[C@H]2CCCc3sccc32)cc[nH+]1 ZINC000061374244 527272894 /nfs/dbraw/zinc/27/28/94/527272894.db2.gz BNLWZACLIJGLTC-NSHDSACASA-N 1 0 288.376 2.236 10 0 CEAERO O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@@H](O)c1ccccc1 ZINC000069052618 527279393 /nfs/dbraw/zinc/27/93/93/527279393.db2.gz OJSGNCXQHTWIRG-INIZCTEOSA-N 1 0 282.343 2.004 10 0 CEAERO O=S1(=O)CC[C@H](CC[NH2+]C2CCCCCC2)C1 ZINC000061912645 527309972 /nfs/dbraw/zinc/30/99/72/527309972.db2.gz HRHXNYKGAZDKRM-LBPRGKRZSA-N 1 0 259.415 2.124 10 0 CEAERO [NH3+][C@@H](C1CCOCC1)C1(c2ccccc2)CCOCC1 ZINC000069310133 527327345 /nfs/dbraw/zinc/32/73/45/527327345.db2.gz DQXUOMMRCQXQEP-INIZCTEOSA-N 1 0 275.392 2.489 10 0 CEAERO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)c1ccc2c(c1)OCO2 ZINC000054685701 527337681 /nfs/dbraw/zinc/33/76/81/527337681.db2.gz VKOVCRLSHQDMHA-BBRMVZONSA-N 1 0 271.316 2.019 10 0 CEAERO Cc1nccc(CNC[C@]2([NH+](C)C)CCC[C@@H](C)C2)n1 ZINC000054790816 527337899 /nfs/dbraw/zinc/33/78/99/527337899.db2.gz ZVVMIMTVCSJLSQ-CJNGLKHVSA-N 1 0 276.428 2.385 10 0 CEAERO [NH3+][C@@H](Cc1ccncc1)c1ccc2c(c1)OCCCO2 ZINC000055229111 527337845 /nfs/dbraw/zinc/33/78/45/527337845.db2.gz UQMDMXHJMVRPAD-AWEZNQCLSA-N 1 0 270.332 2.485 10 0 CEAERO [NH3+][C@H](c1cncnc1)c1cccc(Br)c1 ZINC000052887007 527392470 /nfs/dbraw/zinc/39/24/70/527392470.db2.gz QRAKJPFUMHPYTA-NSHDSACASA-N 1 0 264.126 2.287 10 0 CEAERO [NH3+][C@H]1CCC[C@@H](C(=O)OCc2ccccc2F)C1 ZINC000069280597 527403032 /nfs/dbraw/zinc/40/30/32/527403032.db2.gz DBQYXEGKXPZHRL-PWSUYJOCSA-N 1 0 251.301 2.386 10 0 CEAERO [NH3+][C@H]1c2ccccc2OC[C@@H]1N1Cc2ccccc2C1 ZINC000050910910 527420308 /nfs/dbraw/zinc/42/03/08/527420308.db2.gz KOCPMKMAGYMXMF-RDJZCZTQSA-N 1 0 266.344 2.463 10 0 CEAERO Cn1ccnc1CC[NH2+]Cc1cccc2cnccc21 ZINC000061125445 527428992 /nfs/dbraw/zinc/42/89/92/527428992.db2.gz YHDPDZWWPNZMMZ-UHFFFAOYSA-N 1 0 266.348 2.301 10 0 CEAERO Cn1cc[nH+]c1NCc1ccccc1-n1cccn1 ZINC000050606181 527447864 /nfs/dbraw/zinc/44/78/64/527447864.db2.gz GQKDFDLSFVGUQU-UHFFFAOYSA-N 1 0 253.309 2.218 10 0 CEAERO Cc1ncn(C[C@@H]2CC[C@@H](C[NH2+]CC(C)C)O2)c1C ZINC000052593734 527461500 /nfs/dbraw/zinc/46/15/00/527461500.db2.gz JANYMAROEHFQSI-GJZGRUSLSA-N 1 0 265.401 2.293 10 0 CEAERO Nc1cc2c(cc1NCC[NH+]1CCCCC1)CCC(=O)N2 ZINC000049574683 527462869 /nfs/dbraw/zinc/46/28/69/527462869.db2.gz FHTHRXMUTYRSAI-UHFFFAOYSA-N 1 0 288.395 2.051 10 0 CEAERO OCC1(C[N@@H+]2CC[C@H](c3ccccc3)C2)CCOCC1 ZINC000052199457 527522009 /nfs/dbraw/zinc/52/20/09/527522009.db2.gz XGDHYGOBDYZLMV-INIZCTEOSA-N 1 0 275.392 2.265 10 0 CEAERO Cc1nn(C)c(-n2ccc(C3CC3)n2)c1C[NH2+]C(C)C ZINC000052884823 527597189 /nfs/dbraw/zinc/59/71/89/527597189.db2.gz XWFLYQQZEHVOKH-UHFFFAOYSA-N 1 0 273.384 2.290 10 0 CEAERO Cn1nccc1[C@@H]([NH3+])c1cccc(Br)c1 ZINC000069020484 527623486 /nfs/dbraw/zinc/62/34/86/527623486.db2.gz UKUDROSBGPNOLZ-NSHDSACASA-N 1 0 266.142 2.231 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)NC[C@@H](C)C[NH+]1CCCC1 ZINC000062079390 527658937 /nfs/dbraw/zinc/65/89/37/527658937.db2.gz CHILEIPNXSIBHJ-CHWSQXEVSA-N 1 0 278.444 2.419 10 0 CEAERO FC(F)(F)C(F)(F)c1nc(C2CC[NH2+]CC2)no1 ZINC000062253578 527662897 /nfs/dbraw/zinc/66/28/97/527662897.db2.gz LQJPXMFMPAZACA-UHFFFAOYSA-N 1 0 271.189 2.191 10 0 CEAERO Cc1nn(C)c(N2CCCSCC2)c1C[NH2+]CC(C)C ZINC000062736815 527675747 /nfs/dbraw/zinc/67/57/47/527675747.db2.gz OOLPXOLHPLGPHI-UHFFFAOYSA-N 1 0 296.484 2.417 10 0 CEAERO CCC[C@H](C(=O)N1CCO[C@H](c2cccs2)C1)[NH+](C)C ZINC000155003187 527975158 /nfs/dbraw/zinc/97/51/58/527975158.db2.gz BGRMHRIXUPAGFK-OLZOCXBDSA-N 1 0 296.436 2.378 10 0 CEAERO CCO[C@H](C)c1noc(CN(C)C[C@H]2CCC[N@@H+]2CC)n1 ZINC000175356118 528018616 /nfs/dbraw/zinc/01/86/16/528018616.db2.gz CDAUTMJMAFWRPP-CHWSQXEVSA-N 1 0 296.415 2.083 10 0 CEAERO CCCC1(CNC(=O)N[C@H]2CCC[N@H+](CC)C2)CC1 ZINC000177270993 528055138 /nfs/dbraw/zinc/05/51/38/528055138.db2.gz QVAVLIOHQZKAFI-ZDUSSCGKSA-N 1 0 267.417 2.350 10 0 CEAERO CC[C@@H]1CN(C(=O)CCC2CCC2)CC[N@@H+]1CCOC ZINC000176756580 529361128 /nfs/dbraw/zinc/36/11/28/529361128.db2.gz CXXHIPVIKZPRAO-OAHLLOKOSA-N 1 0 282.428 2.136 10 0 CEAERO CCOc1cccc(N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000110544698 535467029 /nfs/dbraw/zinc/46/70/29/535467029.db2.gz GJWWHZLCHSPIQF-KGLIPLIRSA-N 1 0 275.396 2.449 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(c2ccc([C@@H](C)O)c(O)c2)CC1 ZINC000093672547 535565610 /nfs/dbraw/zinc/56/56/10/535565610.db2.gz GKSYMZHEADGRLG-CHWSQXEVSA-N 1 0 278.396 2.366 10 0 CEAERO C[NH2+][C@@](C)(CO)CCN1CCCc2cc(C)ccc21 ZINC000085216395 536378344 /nfs/dbraw/zinc/37/83/44/536378344.db2.gz LMZLFLGYFUHGDY-MRXNPFEDSA-N 1 0 262.397 2.108 10 0 CEAERO COC(=O)[C@@H](C)[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000093036269 536442889 /nfs/dbraw/zinc/44/28/89/536442889.db2.gz LDLVIANOGQFRGL-UONOGXRCSA-N 1 0 276.380 2.006 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000262643347 536461422 /nfs/dbraw/zinc/46/14/22/536461422.db2.gz STRPVDORADMXEA-XQQFMLRXSA-N 1 0 296.436 2.018 10 0 CEAERO COc1ccc(Br)c(N2CCC[C@H]([NH3+])C2)c1 ZINC000083869864 536629677 /nfs/dbraw/zinc/62/96/77/536629677.db2.gz DFUSIXDLWNOVSJ-VIFPVBQESA-N 1 0 285.185 2.385 10 0 CEAERO COc1ccc2c(c1)CCCN2C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089459861 536969202 /nfs/dbraw/zinc/96/92/02/536969202.db2.gz ZOVUYBXBECIUEW-HIFRSBDPSA-N 1 0 288.391 2.349 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)N1CC[C@@H]2CCCC[C@@H]21 ZINC000227425599 538833967 /nfs/dbraw/zinc/83/39/67/538833967.db2.gz FLWISOKXCPXCHX-CRWXNKLISA-N 1 0 250.386 2.153 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CC[C@@H]2CCCC[C@@H]21 ZINC000227425601 538834086 /nfs/dbraw/zinc/83/40/86/538834086.db2.gz FLWISOKXCPXCHX-FQUUOJAGSA-N 1 0 250.386 2.153 10 0 CEAERO C[C@H](NC(=O)[C@@]1(C)CCC[NH2+]1)c1ccc(F)cc1F ZINC000079513407 538890707 /nfs/dbraw/zinc/89/07/07/538890707.db2.gz KMDATXCBDUMRDH-LKFCYVNXSA-N 1 0 268.307 2.284 10 0 CEAERO O=CN1CCCC[C@@H]1[C@@H]1CC[C@@H]2CCCC[N@@H+]2C1 ZINC000004098863 560196235 /nfs/dbraw/zinc/19/62/35/560196235.db2.gz LUGPGVVCVOWJLT-QLFBSQMISA-N 1 0 250.386 2.262 10 0 in-vitro CEAERO C[C@H](NC(=O)c1ccc(C[NH3+])o1)c1cccs1 ZINC000094565248 574493393 /nfs/dbraw/zinc/49/33/93/574493393.db2.gz SGUANAIOMFMMFX-QMMMGPOBSA-N 1 0 250.323 2.291 10 0 CEAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(Cl)nc1 ZINC000757192264 574512089 /nfs/dbraw/zinc/51/20/89/574512089.db2.gz WQGRYGCGIMYZBL-GHMZBOCLSA-N 1 0 282.771 2.380 10 0 CEAERO CC1(C)C[NH2+][C@]2(CCSC2)O[C@@]12CCCOC2 ZINC000757143485 574510288 /nfs/dbraw/zinc/51/02/88/574510288.db2.gz LVJRMCRMNZSOST-CHWSQXEVSA-N 1 0 257.399 2.015 10 0 CEAERO CO[C@@H](C[NH3+])c1sc(C)cc1Br ZINC000757166959 574511191 /nfs/dbraw/zinc/51/11/91/574511191.db2.gz LYTXQWRXRCSVOD-ZETCQYMHSA-N 1 0 250.161 2.465 10 0 CEAERO CN(CCC[C@H](O)C[NH2+]C(C)(C)C)C(=O)OC(C)(C)C ZINC000757165925 574511210 /nfs/dbraw/zinc/51/12/10/574511210.db2.gz OVUZGJDCJAYJJY-LBPRGKRZSA-N 1 0 288.432 2.383 10 0 CEAERO COc1ccc(F)cc1C[NH2+]CC[C@@H]1CCCO1 ZINC000385262848 574771031 /nfs/dbraw/zinc/77/10/31/574771031.db2.gz AYICHYKYWOHJHQ-ZDUSSCGKSA-N 1 0 253.317 2.493 10 0 CEAERO OCCN1CCC[C@H]([NH2+]Cc2cccc(Cl)c2F)C1 ZINC000384794902 574842249 /nfs/dbraw/zinc/84/22/49/574842249.db2.gz XKMLALVNSVIWBD-LBPRGKRZSA-N 1 0 286.778 2.025 10 0 CEAERO C[C@@H](C[NH3+])[C@@H](O)c1csc(Br)c1 ZINC000235141543 567876153 /nfs/dbraw/zinc/87/61/53/567876153.db2.gz FSBSPICGAPFNRT-YLWLKBPMSA-N 1 0 250.161 2.139 10 0 CEAERO C[C@@H]([NH3+])[C@@H]1COc2c(F)cc(Br)cc2C1 ZINC000675063532 570366169 /nfs/dbraw/zinc/36/61/69/570366169.db2.gz HHVLKIFEHKKLOO-SVRRBLITSA-N 1 0 274.133 2.487 10 0 CEAERO Cc1nc([C@@H]2C[NH2+]C[C@H]2C(=O)OC(C)(C)C)cs1 ZINC000757192290 622965564 /nfs/dbraw/zinc/96/55/64/622965564.db2.gz XUDKQUQKAXEFPF-NXEZZACHSA-N 1 0 268.382 2.096 10 0 CEAERO C[C@H](Nc1ncnc2sccc21)[C@@H]1CCC[NH2+]C1 ZINC000050163649 623324971 /nfs/dbraw/zinc/32/49/71/623324971.db2.gz FJITUXLIKNXFAB-VHSXEESVSA-N 1 0 262.382 2.491 10 0 CEAERO CCS[C@@H]1CCC[C@@H]1NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000261582842 623384707 /nfs/dbraw/zinc/38/47/07/623384707.db2.gz RKNNYVPOSNGHLI-FRRDWIJNSA-N 1 0 270.442 2.309 10 0 CEAERO CCNC(=O)[C@H](C[NH3+])Cc1cccc2ccccc21 ZINC000050303920 623389655 /nfs/dbraw/zinc/38/96/55/623389655.db2.gz DHMGIAQYQGBNSR-AWEZNQCLSA-N 1 0 256.349 2.093 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1Cc1csc(C(C)(C)C)n1 ZINC000261561995 623425084 /nfs/dbraw/zinc/42/50/84/623425084.db2.gz VWXKHNVKAQINNZ-KOLCDFICSA-N 1 0 253.415 2.362 10 0 CEAERO Nc1[nH+]ccn1Cc1cccc(F)c1Br ZINC000382710347 623844963 /nfs/dbraw/zinc/84/49/63/623844963.db2.gz DZVRBKFWWTXCTM-UHFFFAOYSA-N 1 0 270.105 2.246 10 0 CEAERO Cc1ccc(Br)cc1C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000235647370 625693312 /nfs/dbraw/zinc/69/33/12/625693312.db2.gz KWOSENKNKZISIR-CABZTGNLSA-N 1 0 297.196 2.177 10 0 CEAERO CC[C@@H]1CN(CCc2cccs2)CC[N@@H+]1C[C@H](C)O ZINC000247133387 624581082 /nfs/dbraw/zinc/58/10/82/624581082.db2.gz KLTVUHPSPVLFIZ-UONOGXRCSA-N 1 0 282.453 2.068 10 0 CEAERO Fc1cnccc1C[NH2+]C[C@@H]1CCCO[C@H]1c1cn[nH]c1 ZINC000888078061 624705636 /nfs/dbraw/zinc/70/56/36/624705636.db2.gz JTXIJECROATZHG-SWLSCSKDSA-N 1 0 290.342 2.201 10 0 CEAERO C[NH2+]C[C@H]1CCCN(c2cnc3ccccc3n2)C1 ZINC000052017839 624731389 /nfs/dbraw/zinc/73/13/89/624731389.db2.gz VCTYQPQBOLFQFM-GFCCVEGCSA-N 1 0 256.353 2.066 10 0 CEAERO CCO[C@@H]1CCC[N@H+](C[C@](C)(O)c2ccccc2)C1 ZINC000052097287 624772530 /nfs/dbraw/zinc/77/25/30/624772530.db2.gz AKSPNXUMOYYESY-CVEARBPZSA-N 1 0 263.381 2.395 10 0 CEAERO [NH3+]C[C@H](Nc1ccc(C(F)(F)F)nn1)C1CCCC1 ZINC000236214590 625909816 /nfs/dbraw/zinc/90/98/16/625909816.db2.gz MAHDYHSNFAXCNS-VIFPVBQESA-N 1 0 274.290 2.425 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCC2(CCCC2)C1 ZINC000310888007 627316147 /nfs/dbraw/zinc/31/61/47/627316147.db2.gz XDGMXMHDKFIFKY-QWHCGFSZSA-N 1 0 250.386 2.154 10 0 CEAERO Cc1cc2c(ncnc2N2CC[C@]3(CC[NH2+]C3)C2)s1 ZINC000311355209 627643085 /nfs/dbraw/zinc/64/30/85/627643085.db2.gz NBIMSZOHZLUWBL-AWEZNQCLSA-N 1 0 274.393 2.190 10 0 CEAERO C[C@H]1[C@H](NC(=O)n2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000309865297 628072092 /nfs/dbraw/zinc/07/20/92/628072092.db2.gz FGGNKNWLQJIWES-DZGCQCFKSA-N 1 0 284.363 2.104 10 0 CEAERO C[C@H](C[NH2+][C@H]1CCCOC1)N(C)C(=O)OC(C)(C)C ZINC000309876063 628079944 /nfs/dbraw/zinc/07/99/44/628079944.db2.gz WCOPSDADLMLMRO-NEPJUHHUSA-N 1 0 272.389 2.010 10 0 CEAERO CN(Cc1csc(Cl)n1)[C@H]1CCC[NH2+]CC1 ZINC000309459151 628126657 /nfs/dbraw/zinc/12/66/57/628126657.db2.gz UBCVJKWXWRRECS-JTQLQIEISA-N 1 0 259.806 2.370 10 0 CEAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=S)NC1CC1 ZINC000309916242 628145235 /nfs/dbraw/zinc/14/52/35/628145235.db2.gz UKBWFEOBKXQLIG-LBPRGKRZSA-N 1 0 277.437 2.133 10 0 CEAERO C[C@H](C[NH2+][C@H]1CCO[C@H]1C)N(C)C(=O)OC(C)(C)C ZINC000309934331 628170004 /nfs/dbraw/zinc/17/00/04/628170004.db2.gz AUVVGBOCQBHQRK-WOPDTQHZSA-N 1 0 272.389 2.009 10 0 CEAERO CCOC[C@H]1CC[N@H+](C[C@](C)(O)c2ccccc2)C1 ZINC000081519955 628175160 /nfs/dbraw/zinc/17/51/60/628175160.db2.gz VVUALZZVGQSMOX-HOCLYGCPSA-N 1 0 263.381 2.253 10 0 CEAERO CCS[C@H](C(=O)N[C@@H]1CCC[C@@H]1C[NH3+])C(C)C ZINC000236871634 628631908 /nfs/dbraw/zinc/63/19/08/628631908.db2.gz AAWDCLLAHHVMBZ-UTUOFQBUSA-N 1 0 258.431 2.008 10 0 CEAERO Cc1cccc2c1CCN(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)C2 ZINC000178532981 628848731 /nfs/dbraw/zinc/84/87/31/628848731.db2.gz OPOZKTDGOGCNIY-TZMCWYRMSA-N 1 0 258.365 2.007 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(F)(F)C(F)F ZINC000223565936 628865149 /nfs/dbraw/zinc/86/51/49/628865149.db2.gz ISXNXMRPINNQJU-VHSXEESVSA-N 1 0 268.298 2.445 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(c3nc4ccccc4s3)C[C@@H]12 ZINC000261555616 628937919 /nfs/dbraw/zinc/93/79/19/628937919.db2.gz BMVTXJYMIGSQCJ-GMTAPVOTSA-N 1 0 259.378 2.470 10 0 CEAERO [NH3+]CC[C@@H]1CCCN(c2cncc(Br)c2)C1 ZINC000261575457 628939779 /nfs/dbraw/zinc/93/97/79/628939779.db2.gz JTLHVFHMYWPKOT-JTQLQIEISA-N 1 0 284.201 2.409 10 0 CEAERO CO[C@@H](C)c1nsc(N[C@@H](C[NH3+])C2CCCC2)n1 ZINC000261589607 628942674 /nfs/dbraw/zinc/94/26/74/628942674.db2.gz WKTRNUVXZHNLCY-WPRPVWTQSA-N 1 0 270.402 2.175 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)c1csc(-c2ccc(C)cc2)n1 ZINC000261648477 628959034 /nfs/dbraw/zinc/95/90/34/628959034.db2.gz DUVUOJWOCUTTKA-NSHDSACASA-N 1 0 289.404 2.456 10 0 CEAERO C[NH2+][C@H](C)c1nc(-c2ccc(F)c(OC)c2)no1 ZINC000234433168 628961201 /nfs/dbraw/zinc/96/12/01/628961201.db2.gz JCHGOGJMNAQEOW-SSDOTTSWSA-N 1 0 251.261 2.165 10 0 CEAERO Cc1cc(NC(=O)C[C@H]2CCC[NH2+]C2)cnc1Cl ZINC000235878343 628971691 /nfs/dbraw/zinc/97/16/91/628971691.db2.gz HDLYDIWVGBTUMG-SNVBAGLBSA-N 1 0 267.760 2.372 10 0 CEAERO COc1ccc(CN2CC[C@@H]([NH3+])[C@@H]2C)cc1OC(F)F ZINC000261681530 628987154 /nfs/dbraw/zinc/98/71/54/628987154.db2.gz GQXJOAPOMMJCIX-GXSJLCMTSA-N 1 0 286.322 2.218 10 0 CEAERO CC(C)[C@H](C(=O)O[C@H](C)[C@H]1CCOC1)[NH+]1CCCCC1 ZINC000249598658 629151201 /nfs/dbraw/zinc/15/12/01/629151201.db2.gz XNOPJOTVPBOBCJ-QLFBSQMISA-N 1 0 283.412 2.465 10 0 CEAERO C[NH2+]C[C@H]1CCN(c2ncc(Br)cc2C)C1 ZINC000086708503 629167611 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ZINC000178932993 629816623 /nfs/dbraw/zinc/81/66/23/629816623.db2.gz PQLVGDYIDPBRHM-GDBMZVCRSA-N 1 0 274.408 2.466 10 0 CEAERO Cc1cc(CN(C)C[C@H]2CC[N@H+](C)C2)cc(Cl)n1 ZINC000320511468 630827349 /nfs/dbraw/zinc/82/73/49/630827349.db2.gz WENPKXRTGGBFKP-LBPRGKRZSA-N 1 0 267.804 2.427 10 0 CEAERO CC[C@H](Oc1ccccc1C)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000248884259 631461241 /nfs/dbraw/zinc/46/12/41/631461241.db2.gz TZXFJSKRBIGMEO-KKUMJFAQSA-N 1 0 290.407 2.409 10 0 CEAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccsc1 ZINC000757185991 631829796 /nfs/dbraw/zinc/82/97/96/631829796.db2.gz CTNSBKSNAKIKKQ-MNOVXSKESA-N 1 0 253.367 2.393 10 0 CEAERO C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000121379989 636749233 /nfs/dbraw/zinc/74/92/33/636749233.db2.gz ITSFMIYMLJWWRW-RFQIPJPRSA-N 1 0 298.427 2.447 10 0 CEAERO C[NH2+][C@H]1CCCN(C(=O)[C@@H](C)Cc2ccccc2)C1 ZINC000151017190 639165228 /nfs/dbraw/zinc/16/52/28/639165228.db2.gz VKTXKRBZSSFJCE-ZFWWWQNUSA-N 1 0 260.381 2.076 10 0 CEAERO C[N@H+](CC1CCCC1)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000058207621 639495105 /nfs/dbraw/zinc/49/51/05/639495105.db2.gz AOQAVUYNBJZZMA-KBPBESRZSA-N 1 0 276.380 2.017 10 0 CEAERO CC1(C)CN(c2cccc(C(F)(F)F)n2)CC[NH2+]1 ZINC000158095444 639568728 /nfs/dbraw/zinc/56/87/28/639568728.db2.gz GYWISBUCAGVHCE-UHFFFAOYSA-N 1 0 259.275 2.289 10 0 CEAERO CCC[C@H](OC)c1noc(C[C@H]2CCC[NH2+]C2)n1 ZINC000227311458 639584904 /nfs/dbraw/zinc/58/49/04/639584904.db2.gz LJCSKFQMNHCHDZ-MNOVXSKESA-N 1 0 253.346 2.099 10 0 CEAERO CO[C@H](c1noc([C@H]2CCC[C@@H]2C[NH3+])n1)C1CC1 ZINC000227332535 639585034 /nfs/dbraw/zinc/58/50/34/639585034.db2.gz LIHIBFYDSVRIFN-VWYCJHECSA-N 1 0 251.330 2.010 10 0 CEAERO CO[C@@H](c1noc(C[C@@H]([NH3+])c2ccccc2)n1)C1CC1 ZINC000227332829 639585222 /nfs/dbraw/zinc/58/52/22/639585222.db2.gz OLMKZYBGXQLISY-TZMCWYRMSA-N 1 0 273.336 2.410 10 0 CEAERO O[C@H]1CCC[C@@H]([NH2+]Cc2occc2Br)C1 ZINC000227368459 639587071 /nfs/dbraw/zinc/58/70/71/639587071.db2.gz DCHCCALKEKMUFA-BDAKNGLRSA-N 1 0 274.158 2.435 10 0 CEAERO Cc1ccc(OC[C@H](C)NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000227794485 639605302 /nfs/dbraw/zinc/60/53/02/639605302.db2.gz ABPLKBBIJOLMBG-BFHYXJOUSA-N 1 0 276.380 2.006 10 0 CEAERO Cc1c(C[NH2+]CC(=O)Nc2ccc(Cl)cc2)cnn1C ZINC000229805546 639721693 /nfs/dbraw/zinc/72/16/93/639721693.db2.gz AWCRIZSGLAFDGQ-UHFFFAOYSA-N 1 0 292.770 2.110 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1ccc2ccccc2n1 ZINC000061882696 639727372 /nfs/dbraw/zinc/72/73/72/639727372.db2.gz OFBAZPDRJSKAAB-TZMCWYRMSA-N 1 0 269.348 2.092 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+]C[C@H]2CCCOC2)C1 ZINC000230167570 639742905 /nfs/dbraw/zinc/74/29/05/639742905.db2.gz VOQCKFAHJBCFSC-ZIAGYGMSSA-N 1 0 298.427 2.260 10 0 CEAERO C[C@H](C[C@@H]1COCCN1)[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000231759802 639874060 /nfs/dbraw/zinc/87/40/60/639874060.db2.gz FRHULJJSKDUWIR-FDYHWXHSSA-N 1 0 294.361 2.464 10 0 CEAERO Cc1cnc([C@H](C)NC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)o1 ZINC000231743656 639876371 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ZINC000068037409 641369525 /nfs/dbraw/zinc/36/95/25/641369525.db2.gz OFLDSJHLVGHJNP-JLHYYAGUSA-N 1 0 294.420 2.013 10 0 CEAERO COC[C@@H]([NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)C1CC1 ZINC000180514766 641465504 /nfs/dbraw/zinc/46/55/04/641465504.db2.gz UURUFECIYKDZQO-DGCLKSJQSA-N 1 0 286.416 2.304 10 0 CEAERO Cc1ccc([C@H](C)[NH2+]CCCNC(=O)C(F)(F)F)o1 ZINC000182603090 641679987 /nfs/dbraw/zinc/67/99/87/641679987.db2.gz QBSIJXXZGAOZEN-VIFPVBQESA-N 1 0 278.274 2.307 10 0 CEAERO C[C@H](Cc1ccccc1)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000185050305 641930452 /nfs/dbraw/zinc/93/04/52/641930452.db2.gz UBLBXIGNVMJVAY-BVUBDWEXSA-N 1 0 272.392 2.061 10 0 CEAERO CC(=O)C1CC[NH+](C[C@](C)(O)c2ccccc2)CC1 ZINC000111690478 643934006 /nfs/dbraw/zinc/93/40/06/643934006.db2.gz NLRAPGUOMYBBNR-INIZCTEOSA-N 1 0 261.365 2.195 10 0 CEAERO CCc1ccc([C@H](C)NC(=O)COC2CC[NH2+]CC2)cc1 ZINC000111795612 643959261 /nfs/dbraw/zinc/95/92/61/643959261.db2.gz AOSYTZGRAFDYDI-ZDUSSCGKSA-N 1 0 290.407 2.195 10 0 CEAERO C[C@@H]1CN(C(=S)NC2CCCCC2)C[C@H]1[NH+](C)C ZINC000123124994 648815469 /nfs/dbraw/zinc/81/54/69/648815469.db2.gz FKKSIYPKQLFEOD-DGCLKSJQSA-N 1 0 269.458 2.076 10 0 CEAERO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)cn1 ZINC000124847022 649751179 /nfs/dbraw/zinc/75/11/79/649751179.db2.gz HQVBRXYDKNLRIF-GXFFZTMASA-N 1 0 254.761 2.376 10 0 CEAERO CCC([NH3+])(CC)CNc1ccccc1S(=O)(=O)CC ZINC000130070717 652210168 /nfs/dbraw/zinc/21/01/68/652210168.db2.gz NXEKHFMWLWSBAR-UHFFFAOYSA-N 1 0 284.425 2.410 10 0 CEAERO CCOC(=O)c1ccc(NCC([NH3+])(CC)CC)nc1 ZINC000130086741 652214319 /nfs/dbraw/zinc/21/43/19/652214319.db2.gz WKSBPSAEVXZSNV-UHFFFAOYSA-N 1 0 265.357 2.188 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1ccc(Cl)nc1 ZINC000131104690 652379882 /nfs/dbraw/zinc/37/98/82/652379882.db2.gz BVDNGHRZCSZVLC-WCBMZHEXSA-N 1 0 253.733 2.049 10 0 CEAERO CC(C)(C)c1ccc(NC(=O)C2([NH3+])CCOCC2)cc1 ZINC000132058503 652492591 /nfs/dbraw/zinc/49/25/91/652492591.db2.gz URHHKLKIWGQHLC-UHFFFAOYSA-N 1 0 276.380 2.431 10 0 CEAERO C[C@@H]([NH3+])C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000215389999 652869449 /nfs/dbraw/zinc/86/94/49/652869449.db2.gz HHFTXDZZAJFYOD-KIWPFMIBSA-N 1 0 294.420 2.046 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@@H](C[NH3+])C[C@H]1C1CC1 ZINC000215665960 652901547 /nfs/dbraw/zinc/90/15/47/652901547.db2.gz BTRIMTVHRBPUKJ-PWSUYJOCSA-N 1 0 254.374 2.371 10 0 CEAERO [NH3+]C1CC(CNC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000216586765 652990362 /nfs/dbraw/zinc/99/03/62/652990362.db2.gz FDLJIRBIEOYMJI-WYNUPADASA-N 1 0 278.318 2.209 10 0 CEAERO CCOc1ccc([C@H](CS(=O)(=O)C(C)C)[NH2+]C)cc1 ZINC000081981506 177911591 /nfs/dbraw/zinc/91/15/91/177911591.db2.gz HHIFBKSAWWOZHI-AWEZNQCLSA-N 1 0 285.409 2.169 10 0 CEAERO CC[NH2+][C@H](C[S@@](=O)c1ccc(C)cc1)C1CC1 ZINC000082002678 177917850 /nfs/dbraw/zinc/91/78/50/177917850.db2.gz QWWWHQIXDPFXLA-PBHICJAKSA-N 1 0 251.395 2.491 10 0 CEAERO [NH3+][C@@H](Cc1cccc(Br)c1)[C@H]1CCCO1 ZINC000082259760 177932623 /nfs/dbraw/zinc/93/26/23/177932623.db2.gz WELQFUMQBRNXEX-NWDGAFQWSA-N 1 0 270.170 2.498 10 0 CEAERO [NH3+]CCNC(=O)C1(c2ccc(Cl)cc2Cl)CC1 ZINC000082264561 177936642 /nfs/dbraw/zinc/93/66/42/177936642.db2.gz HGLFWXONSPSFTP-UHFFFAOYSA-N 1 0 273.163 2.100 10 0 CEAERO C[C@H]1CCC[N@H+](CCCNC(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC000225761959 230399569 /nfs/dbraw/zinc/39/95/69/230399569.db2.gz MAYMFFOCYLJMBV-SRVKXCTJSA-N 1 0 274.355 2.126 10 0 CEAERO CCN(Cc1ccccc1)C(=O)c1c[nH+]ccc1N ZINC000082308093 177954193 /nfs/dbraw/zinc/95/41/93/177954193.db2.gz IFSBPSLTDAZJET-UHFFFAOYSA-N 1 0 255.321 2.326 10 0 CEAERO CCN(c1ccc(Br)cn1)[C@@H]1CCC[NH2+]C1 ZINC000082501117 178065407 /nfs/dbraw/zinc/06/54/07/178065407.db2.gz XDZYNSDIVVMBRC-LLVKDONJSA-N 1 0 284.201 2.422 10 0 CEAERO CCN(c1ncccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000082501170 178065805 /nfs/dbraw/zinc/06/58/05/178065805.db2.gz ODPNLMIQTFVVLI-SNVBAGLBSA-N 1 0 284.201 2.422 10 0 CEAERO CC(C)[NH2+]CCCSc1nnc(N(C)C)s1 ZINC000082580148 178119279 /nfs/dbraw/zinc/11/92/79/178119279.db2.gz HUSIEVRZQUBQSR-UHFFFAOYSA-N 1 0 260.432 2.084 10 0 CEAERO CC1=CC[C@](O)([C@@H]2C[NH2+]CCN2Cc2ccccc2)C=C1 ZINC000095932568 185032752 /nfs/dbraw/zinc/03/27/52/185032752.db2.gz FSYUUHJQROISLT-ROUUACIJSA-N 1 0 284.403 2.098 10 0 CEAERO C[NH2+]CCc1nnc(-c2sccc2Br)o1 ZINC000082614451 178126447 /nfs/dbraw/zinc/12/64/47/178126447.db2.gz ZYOJJHQXNNXSOC-UHFFFAOYSA-N 1 0 288.170 2.323 10 0 CEAERO [NH3+]CCc1ccc(Sc2nncs2)c(F)c1 ZINC000082617392 178127071 /nfs/dbraw/zinc/12/70/71/178127071.db2.gz CABCURRWQUDLTA-UHFFFAOYSA-N 1 0 255.343 2.330 10 0 CEAERO COc1cc(C)c(C(=O)[C@@H]2CCCC[NH2+]2)cc1OC ZINC000082622586 178136192 /nfs/dbraw/zinc/13/61/92/178136192.db2.gz ADIITRPDCTYGNP-LBPRGKRZSA-N 1 0 263.337 2.337 10 0 CEAERO C[C@H]1CC[C@@H](C(=O)NCCC[N@H+](C)Cc2ccccc2)O1 ZINC000124642142 187147342 /nfs/dbraw/zinc/14/73/42/187147342.db2.gz DAQOGKMAZGBEKN-HOCLYGCPSA-N 1 0 290.407 2.192 10 0 CEAERO Cc1cc([C@@H](C)NC(=O)C2([NH3+])CCOCC2)c(C)s1 ZINC000127772700 187331562 /nfs/dbraw/zinc/33/15/62/187331562.db2.gz FPPNWNPUGBPQBA-SNVBAGLBSA-N 1 0 282.409 2.050 10 0 CEAERO O=C(OCC[NH2+]Cc1ccccc1)c1cccnc1 ZINC000082690069 178183757 /nfs/dbraw/zinc/18/37/57/178183757.db2.gz VTOLQTJMIWFRRU-UHFFFAOYSA-N 1 0 256.305 2.028 10 0 CEAERO C[C@H](NC(=O)C1([NH3+])CCOCC1)c1ccc(Cl)s1 ZINC000127779853 187332424 /nfs/dbraw/zinc/33/24/24/187332424.db2.gz YZUNUCOYHJWEAC-QMMMGPOBSA-N 1 0 288.800 2.087 10 0 CEAERO C[N@@H+](Cc1ccccc1N)C[C@H](O)c1ccccc1 ZINC000033979552 361787860 /nfs/dbraw/zinc/78/78/60/361787860.db2.gz DVGIYWMJXYCEFJ-INIZCTEOSA-N 1 0 256.349 2.434 10 0 CEAERO C[C@@H](CCO)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000034460121 361792152 /nfs/dbraw/zinc/79/21/52/361792152.db2.gz YZKLGHNNUDUKIJ-LBPRGKRZSA-N 1 0 268.788 2.233 10 0 CEAERO CCO[C@@H]1C[C@H]([N@H+](C)CCC2OCCO2)C12CCCC2 ZINC000125014609 187165586 /nfs/dbraw/zinc/16/55/86/187165586.db2.gz BKVGMRJBRFTLHL-UONOGXRCSA-N 1 0 283.412 2.419 10 0 CEAERO C[C@H](C[C@H](C)[NH3+])S(=O)(=O)c1ccccc1Cl ZINC000082798377 178301671 /nfs/dbraw/zinc/30/16/71/178301671.db2.gz HUKBADQTGUKDKS-DTWKUNHWSA-N 1 0 261.774 2.240 10 0 CEAERO [NH3+]CCCCCS(=O)(=O)c1ccccc1Cl ZINC000082789748 178294675 /nfs/dbraw/zinc/29/46/75/178294675.db2.gz KOICBZNZXMSBDF-UHFFFAOYSA-N 1 0 261.774 2.243 10 0 CEAERO CCC[NH2+][C@@H](CCO)CSc1nc(C)cs1 ZINC000083013322 178334644 /nfs/dbraw/zinc/33/46/44/178334644.db2.gz BEEUSVKYQYNISW-JTQLQIEISA-N 1 0 260.428 2.294 10 0 CEAERO COc1cc(Cl)c([C@H](O)[C@@H]2CCC[NH2+]2)cc1OC ZINC000083157358 178344166 /nfs/dbraw/zinc/34/41/66/178344166.db2.gz OUEOMWVGPGRWMQ-GWCFXTLKSA-N 1 0 271.744 2.143 10 0 CEAERO C[NH2+][C@@](C)(CO)C[C@@H](C)Sc1nc(C)cs1 ZINC000082903513 178329545 /nfs/dbraw/zinc/32/95/45/178329545.db2.gz IDIDYMLHMHOUAH-MWLCHTKSSA-N 1 0 260.428 2.293 10 0 CEAERO [NH3+]C[C@H](O)CCSc1ccc(Br)cc1 ZINC000082917438 178329588 /nfs/dbraw/zinc/32/95/88/178329588.db2.gz KUGJWEYEHKIYKQ-SECBINFHSA-N 1 0 276.199 2.251 10 0 CEAERO C[C@@]([NH3+])(CO)CCSc1ncccc1Br ZINC000082905362 178329632 /nfs/dbraw/zinc/32/96/32/178329632.db2.gz VMMDOPMCPDSZHO-JTQLQIEISA-N 1 0 291.214 2.036 10 0 CEAERO CCN[C@@](C)(C[C@@H](C)[N@H+](CCC(C)C)C1CC1)C(N)=O ZINC000096818484 185116139 /nfs/dbraw/zinc/11/61/39/185116139.db2.gz PADNYABCJTVRQM-CJNGLKHVSA-N 1 0 283.460 2.129 10 0 CEAERO CC(C)(C)OC(=O)NC[C@@H]1CC[C@]2(CC[NH2+]C2)C1 ZINC000096897234 185124933 /nfs/dbraw/zinc/12/49/33/185124933.db2.gz YOQRXBODLBGDLM-RISCZKNCSA-N 1 0 254.374 2.291 10 0 CEAERO [NH3+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000036870973 361866229 /nfs/dbraw/zinc/86/62/29/361866229.db2.gz FRVKYUPLOZFRKT-UHFFFAOYSA-N 1 0 252.115 2.298 10 0 CEAERO c1ccc(CN2CCC[C@@]3(CSCC[NH2+]3)C2)cc1 ZINC000096949202 185137712 /nfs/dbraw/zinc/13/77/12/185137712.db2.gz LIMWAGPWMSNAHQ-HNNXBMFYSA-N 1 0 262.422 2.358 10 0 CEAERO c1ccc(CN2CCSC[C@]23CCC[NH2+]C3)cc1 ZINC000096949204 185137802 /nfs/dbraw/zinc/13/78/02/185137802.db2.gz GQTZPESQBBTHTF-OAHLLOKOSA-N 1 0 262.422 2.358 10 0 CEAERO [NH3+][C@H](c1cncn1Cc1cccs1)[C@@H]1CCOC1 ZINC000097013768 185151700 /nfs/dbraw/zinc/15/17/00/185151700.db2.gz BPFRUYREPCJIJX-MFKMUULPSA-N 1 0 263.366 2.029 10 0 CEAERO Cc1cc(NCCC(=O)N(C)C)c2ccccc2[nH+]1 ZINC000037752184 361929887 /nfs/dbraw/zinc/92/98/87/361929887.db2.gz JKYLZGVYSXQXDY-UHFFFAOYSA-N 1 0 257.337 2.433 10 0 CEAERO COc1ccc(C[N@@H+]2CCC[C@H](O)[C@@H]2C)cc1OC ZINC000294972933 199277778 /nfs/dbraw/zinc/27/77/78/199277778.db2.gz JFXGMWQKRZFHOC-AAEUAGOBSA-N 1 0 265.353 2.049 10 0 CEAERO C[C@@H]1CCCN(C(=O)C2CCC(C[NH3+])CC2)CC1 ZINC000097031656 185154890 /nfs/dbraw/zinc/15/48/90/185154890.db2.gz DSIFAWWTDBLJMT-IYXRBSQSSA-N 1 0 252.402 2.400 10 0 CEAERO CC(C)(CO)[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000037888256 361959623 /nfs/dbraw/zinc/95/96/23/361959623.db2.gz IGQWNWPAJWERTI-OAHLLOKOSA-N 1 0 259.349 2.234 10 0 CEAERO [NH3+]C[C@@H]1CN(Cc2ccccc2)c2ccccc2O1 ZINC000038999775 361986112 /nfs/dbraw/zinc/98/61/12/361986112.db2.gz IWRIXOAXBXJVAH-CQSZACIVSA-N 1 0 254.333 2.413 10 0 CEAERO O=C1C(C[NH2+]Cc2ccccc2)=CC2=CC=C[C@@H]3CCN1[C@H]23 ZINC000039287455 361988025 /nfs/dbraw/zinc/98/80/25/361988025.db2.gz XBTUVTRHDJGMFX-QAPCUYQASA-N 1 0 292.382 2.430 10 0 CEAERO [NH3+]CC1([C@@H](O)c2sccc2Br)CC1 ZINC000306406054 539167916 /nfs/dbraw/zinc/16/79/16/539167916.db2.gz XDFCFAXAFTUJLA-QMMMGPOBSA-N 1 0 262.172 2.283 10 0 CEAERO C[C@H](NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)C1CCCC1 ZINC000070307711 539173405 /nfs/dbraw/zinc/17/34/05/539173405.db2.gz WVCRJIFNWVRHEF-CABZTGNLSA-N 1 0 278.318 2.223 10 0 CEAERO CCC(CC)N(CCOC)C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000094647799 282183812 /nfs/dbraw/zinc/18/38/12/282183812.db2.gz HALRJZVDGJOGEK-JSGCOSHPSA-N 1 0 270.417 2.038 10 0 CEAERO CCCc1cc2nc(C3C[NH2+]C3)nn2c(Cl)c1 ZINC000725246423 539191810 /nfs/dbraw/zinc/19/18/10/539191810.db2.gz MONFCHUVZKQQOJ-UHFFFAOYSA-N 1 0 250.733 2.022 10 0 CEAERO CC(C)NC(=O)NC[C@H]([NH3+])C1CCC(C)(C)CC1 ZINC000725254926 539200611 /nfs/dbraw/zinc/20/06/11/539200611.db2.gz KIEFYVKVCJOMSL-LBPRGKRZSA-N 1 0 255.406 2.238 10 0 CEAERO CC[C@@]1(N)C[NH2+]C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000725262793 539211687 /nfs/dbraw/zinc/21/16/87/539211687.db2.gz QVGLTCVDVABRDZ-NWDGAFQWSA-N 1 0 258.287 2.500 10 0 CEAERO CCCC(=O)N1CCC[C@H]([C@]23CC[C@H]2CC[NH2+]3)C1 ZINC000725263452 539212153 /nfs/dbraw/zinc/21/21/53/539212153.db2.gz HDEDUEOIPZLOOS-YDHLFZDLSA-N 1 0 250.386 2.167 10 0 CEAERO CC(C)(C)NC(=O)N1CCC2(CCC[C@@H]2[NH3+])CC1 ZINC000725263933 539212357 /nfs/dbraw/zinc/21/23/57/539212357.db2.gz CFVSYPIQUFOVCJ-NSHDSACASA-N 1 0 253.390 2.088 10 0 CEAERO CCCCNC(=O)N1CCC2(CCC[C@H]2[NH3+])CC1 ZINC000725264284 539212845 /nfs/dbraw/zinc/21/28/45/539212845.db2.gz WLJWDJZNIZSZSB-GFCCVEGCSA-N 1 0 253.390 2.090 10 0 CEAERO CCCS(=O)(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000725264408 539212925 /nfs/dbraw/zinc/21/29/25/539212925.db2.gz LWOKLVOSRUVOHX-UHFFFAOYSA-N 1 0 256.371 2.032 10 0 CEAERO CCCS(=O)(=O)N1CCCc2c1cccc2C(C)(C)[NH3+] ZINC000725270541 539215168 /nfs/dbraw/zinc/21/51/68/539215168.db2.gz LUQADZMTXABSKN-UHFFFAOYSA-N 1 0 296.436 2.373 10 0 CEAERO CCN1CCO[C@H](C[NH2+]Cc2cc(Cl)ccc2F)C1 ZINC000125327221 539217629 /nfs/dbraw/zinc/21/76/29/539217629.db2.gz SQSWNXRLAVFUFC-CYBMUJFWSA-N 1 0 286.778 2.289 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]Cc2cc(Cl)ccc2F)C1 ZINC000125327458 539217668 /nfs/dbraw/zinc/21/76/68/539217668.db2.gz SQSWNXRLAVFUFC-ZDUSSCGKSA-N 1 0 286.778 2.289 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H](C)c2ccsc2)C1 ZINC000092052689 539229557 /nfs/dbraw/zinc/22/95/57/539229557.db2.gz RHXBAVLDCGSGPK-WCQYABFASA-N 1 0 254.399 2.119 10 0 CEAERO O[C@@H](COCc1ccccc1)C[NH+]1CCC(F)(F)CC1 ZINC000405173709 539221541 /nfs/dbraw/zinc/22/15/41/539221541.db2.gz XSXRXFWQXKWKKB-CQSZACIVSA-N 1 0 285.334 2.295 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@H]2CC(C)(C)C[C@@H]2C)C1 ZINC000300131097 539248648 /nfs/dbraw/zinc/24/86/48/539248648.db2.gz FCQDIFMXCLSPNO-MJBXVCDLSA-N 1 0 254.418 2.121 10 0 CEAERO CCc1cnc(CN2C[C@H]3CCC[N@H+]3C[C@H]2CC)o1 ZINC000300404890 539249885 /nfs/dbraw/zinc/24/98/85/539249885.db2.gz FOMMFQGMSHFTET-CHWSQXEVSA-N 1 0 263.385 2.296 10 0 CEAERO [NH3+]C1(CC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000398084594 539261042 /nfs/dbraw/zinc/26/10/42/539261042.db2.gz LPHDRLBDKXXTBU-IUCAKERBSA-N 1 0 264.291 2.105 10 0 CEAERO COC[C@H](C)C[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000131700494 539263280 /nfs/dbraw/zinc/26/32/80/539263280.db2.gz QTSHDUAPGOWDKL-HIFRSBDPSA-N 1 0 250.386 2.161 10 0 CEAERO [NH3+]CCCN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000300321723 539269563 /nfs/dbraw/zinc/26/95/63/539269563.db2.gz XBRBUBKEJUTCBS-MUJYYYPQSA-N 1 0 272.392 2.410 10 0 CEAERO C[C@@H]([NH3+])c1noc(-c2ccc(Br)o2)n1 ZINC000041052186 362014883 /nfs/dbraw/zinc/01/48/83/362014883.db2.gz SBOXQBCWYILPJT-SCSAIBSYSA-N 1 0 258.075 2.112 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1oc(C)nc1C ZINC000311829602 539286631 /nfs/dbraw/zinc/28/66/31/539286631.db2.gz LGECBYULQYGMRN-UONOGXRCSA-N 1 0 263.385 2.350 10 0 CEAERO COc1ccccc1OC[C@@H](O)C[NH2+]Cc1ccccc1 ZINC000032139955 343412045 /nfs/dbraw/zinc/41/20/45/343412045.db2.gz QJDRQGLCRGLWJM-HNNXBMFYSA-N 1 0 287.359 2.225 10 0 CEAERO Cc1ccc(C)c(OC[C@@H](O)C[NH2+][C@H](CO)CC(C)C)c1 ZINC000040776985 343438164 /nfs/dbraw/zinc/43/81/64/343438164.db2.gz DTRJLFYUFXCZHF-HOTGVXAUSA-N 1 0 295.423 2.040 10 0 CEAERO CC(=O)Nc1ccc(C[NH2+][C@H]2CCC[C@H](O)C2)cc1 ZINC000037164827 343426237 /nfs/dbraw/zinc/42/62/37/343426237.db2.gz OBAHNGXBVLXOCK-GJZGRUSLSA-N 1 0 262.353 2.038 10 0 CEAERO CCOc1ccc(C[NH2+][C@@H]2CCC[C@H](O)C2)cc1OC ZINC000037163801 343426261 /nfs/dbraw/zinc/42/62/61/343426261.db2.gz QUQCGSKKESEUES-KGLIPLIRSA-N 1 0 279.380 2.487 10 0 CEAERO O=C(C[C@H]1CC[NH2+]C1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000227722209 539316304 /nfs/dbraw/zinc/31/63/04/539316304.db2.gz FVSDAPSQBPVGBA-GMTAPVOTSA-N 1 0 278.318 2.223 10 0 CEAERO C[C@H]1CCCN(c2cc(NC3CC[NH+](C)CC3)ncn2)C1 ZINC000153033194 136394733 /nfs/dbraw/zinc/39/47/33/136394733.db2.gz CNSLPVOYKNASHY-ZDUSSCGKSA-N 1 0 289.427 2.219 10 0 CEAERO OCCN1CCC([NH2+][C@@H]2CCCC[C@@H]2C2CC2)CC1 ZINC000679577855 539330994 /nfs/dbraw/zinc/33/09/94/539330994.db2.gz WGZKVTWBDTZCTL-HZPDHXFCSA-N 1 0 266.429 2.002 10 0 CEAERO Cn1cnnc1C1CC[NH+](CCOc2ccccc2)CC1 ZINC000065287526 343697233 /nfs/dbraw/zinc/69/72/33/343697233.db2.gz SAUCDFCKTZOGOK-UHFFFAOYSA-N 1 0 286.379 2.074 10 0 CEAERO CCCn1ccc(C[NH2+][C@H](C)CC[S@](C)=O)c1 ZINC000128026310 187346841 /nfs/dbraw/zinc/34/68/41/187346841.db2.gz LMMHDESHDYZSNF-SJKOYZFVSA-N 1 0 256.415 2.145 10 0 CEAERO CCC[C@H](C[NH3+])Nc1ncccc1Br ZINC000083568447 178582096 /nfs/dbraw/zinc/58/20/96/178582096.db2.gz SYWDLHKEVVJPRO-MRVPVSSYSA-N 1 0 258.163 2.383 10 0 CEAERO CC[C@@H]1CN(c2nc(C(F)(F)F)ns2)CC[C@@H]1[NH3+] ZINC000228792314 539358618 /nfs/dbraw/zinc/35/86/18/539358618.db2.gz YXXXAOLUKPGERB-RQJHMYQMSA-N 1 0 280.319 2.121 10 0 CEAERO C[C@@H](C(=O)N1CCC(C(C)(C)C)CC1)C1C[NH2+]C1 ZINC000164487823 295715553 /nfs/dbraw/zinc/71/55/53/295715553.db2.gz ZZJAZVYSJMKRLM-LLVKDONJSA-N 1 0 252.402 2.127 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000094648665 344235370 /nfs/dbraw/zinc/23/53/70/344235370.db2.gz XKXJWRPKSMUFCB-OUAUKWLOSA-N 1 0 278.318 2.175 10 0 CEAERO c1ccc2c(c1)CCO[C@@H]2C[NH+]1CCC2(CC1)OCCO2 ZINC000083630146 178650764 /nfs/dbraw/zinc/65/07/64/178650764.db2.gz CBDASZBYZOUTQE-MRXNPFEDSA-N 1 0 289.375 2.139 10 0 CEAERO CC(C)(C)OC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000118466866 344291991 /nfs/dbraw/zinc/29/19/91/344291991.db2.gz MBSOYOKDILFNKP-UHFFFAOYSA-N 1 0 264.369 2.425 10 0 CEAERO C[C@]1(C(=O)Nc2nc3c(s2)CCCCC3)CCC[NH2+]1 ZINC000119238108 344294561 /nfs/dbraw/zinc/29/45/61/344294561.db2.gz ODBLMPMRTCCMRZ-CQSZACIVSA-N 1 0 279.409 2.493 10 0 CEAERO Cc1noc(C2CC2)c1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000129318057 344342583 /nfs/dbraw/zinc/34/25/83/344342583.db2.gz INMSVKVPAGNJMX-LLVKDONJSA-N 1 0 278.356 2.028 10 0 CEAERO COc1cc([C@H](C)[NH2+][C@@H](C)[C@@H](C)CO)cc(OC)c1OC ZINC000131735933 344359989 /nfs/dbraw/zinc/35/99/89/344359989.db2.gz SSYPHWUOWLFSEN-SRVKXCTJSA-N 1 0 297.395 2.380 10 0 CEAERO CCN1CCO[C@H](C[NH2+]C/C=C/c2ccccc2)C1 ZINC000134436142 344374450 /nfs/dbraw/zinc/37/44/50/344374450.db2.gz MEQORXWGYGFKKN-YXMGTMDOSA-N 1 0 260.381 2.010 10 0 CEAERO COc1cc([C@@H](C)[C@H](C)[NH3+])c(OC)c2c1CCOC2 ZINC000138431174 344390343 /nfs/dbraw/zinc/39/03/43/344390343.db2.gz UZTUXQRLJCJMPW-UWVGGRQHSA-N 1 0 265.353 2.227 10 0 CEAERO Cc1ccccc1[C@H](C)NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000139231762 344392744 /nfs/dbraw/zinc/39/27/44/344392744.db2.gz ZKUNRSXBXDCYQK-UONOGXRCSA-N 1 0 275.396 2.449 10 0 CEAERO COc1ccc2c(c1)CCc1cnn(C[C@H](C)[NH3+])c1-2 ZINC000143405186 344405847 /nfs/dbraw/zinc/40/58/47/344405847.db2.gz GQFJGNOYLDORCJ-JTQLQIEISA-N 1 0 257.337 2.005 10 0 CEAERO CCC[C@@H](C)C[N@@H+]1CCN(CCOCC)[C@H](C)C1 ZINC000180086772 344505560 /nfs/dbraw/zinc/50/55/60/344505560.db2.gz BJWCWBJOZPCNSH-HUUCEWRRSA-N 1 0 256.434 2.465 10 0 CEAERO O[C@@H](C[NH2+]C[C@H]1CCCCS1)COCc1ccco1 ZINC000158272633 344450939 /nfs/dbraw/zinc/45/09/39/344450939.db2.gz IIAYMKGBIFASOQ-GXTWGEPZSA-N 1 0 285.409 2.032 10 0 CEAERO C[C@@H](C[NH3+])Oc1ccccc1I ZINC000160238084 344457819 /nfs/dbraw/zinc/45/78/19/344457819.db2.gz VGPZMHYGKZZWRR-ZETCQYMHSA-N 1 0 277.105 2.017 10 0 CEAERO [NH3+][C@H]1CSC[C@H]1Cc1cncc(Br)c1 ZINC000160732363 344461057 /nfs/dbraw/zinc/46/10/57/344461057.db2.gz JQCGIPJOVNKJBA-SCZZXKLOSA-N 1 0 273.199 2.077 10 0 CEAERO [NH3+]C[C@H]1CC[C@@H]1Cc1ccc(Br)cn1 ZINC000161926019 344465574 /nfs/dbraw/zinc/46/55/74/344465574.db2.gz RGFSBJIIYALYON-RKDXNWHRSA-N 1 0 255.159 2.372 10 0 CEAERO CC(C)(C)OC(=O)Nc1ccc(C(N)=[NH2+])cc1F ZINC000168538623 344480217 /nfs/dbraw/zinc/48/02/17/344480217.db2.gz PXBWMPJNOLYUMB-UHFFFAOYSA-N 1 0 253.277 2.457 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)NCc2cc3ccccc3o2)C1 ZINC000170831498 344491005 /nfs/dbraw/zinc/49/10/05/344491005.db2.gz TURHQITVRWRONJ-CYBMUJFWSA-N 1 0 287.363 2.278 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)NCC(C)(C)c2ccccc2)C1 ZINC000170830244 344491071 /nfs/dbraw/zinc/49/10/71/344491071.db2.gz MSFNYVUJGAQDOS-OAHLLOKOSA-N 1 0 289.423 2.310 10 0 CEAERO CCCCS[C@@H](C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170864612 344491909 /nfs/dbraw/zinc/49/19/09/344491909.db2.gz FLIKDMSABDSWOU-RYUDHWBXSA-N 1 0 258.431 2.071 10 0 CEAERO Fc1ccc(Br)c(F)c1CC1C[NH2+]C1 ZINC000230371647 344572463 /nfs/dbraw/zinc/57/24/63/344572463.db2.gz IIFPJNGYHJGLRT-UHFFFAOYSA-N 1 0 262.097 2.489 10 0 CEAERO [NH3+]C1(C(=O)Cc2cc(Br)ccc2F)CC1 ZINC000226435605 344549535 /nfs/dbraw/zinc/54/95/35/344549535.db2.gz WZESDAITNGIXRG-UHFFFAOYSA-N 1 0 272.117 2.191 10 0 CEAERO Nc1[nH+]ccn1Cc1sccc1Br ZINC000228015365 344558163 /nfs/dbraw/zinc/55/81/63/344558163.db2.gz ANYDFJPMZMQNQN-UHFFFAOYSA-N 1 0 258.144 2.338 10 0 CEAERO O[C@@H](C[NH2+]CCC1=CCCC1)COCc1ccco1 ZINC000228676195 344562926 /nfs/dbraw/zinc/56/29/26/344562926.db2.gz DWDVVTVEGITXGT-AWEZNQCLSA-N 1 0 265.353 2.247 10 0 CEAERO Nc1cc(Br)ccc1S[C@@H]1CC[NH2+]C1 ZINC000051784231 362438313 /nfs/dbraw/zinc/43/83/13/362438313.db2.gz JRVAQFPIWFCYDY-MRVPVSSYSA-N 1 0 273.199 2.485 10 0 CEAERO Cc1c(Br)cccc1N1CC[C@H]([NH3+])C1 ZINC000232248168 344577375 /nfs/dbraw/zinc/57/73/75/344577375.db2.gz QJEBOBHUNWQXQE-VIFPVBQESA-N 1 0 255.159 2.295 10 0 CEAERO CCOC(=O)C[C@H](O)C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000233992123 344583117 /nfs/dbraw/zinc/58/31/17/344583117.db2.gz AHWBEJBKZMTJDD-BDAKNGLRSA-N 1 0 291.800 2.366 10 0 CEAERO CN[C@@H](C[NH3+])c1cc(Br)ccc1Cl ZINC000234424957 344584800 /nfs/dbraw/zinc/58/48/00/344584800.db2.gz QLQLHRFOCRVIKS-VIFPVBQESA-N 1 0 263.566 2.322 10 0 CEAERO CCOc1cc(C[NH2+][C@H]2CCCC[C@H]2O)ccc1OC ZINC000051993650 362456097 /nfs/dbraw/zinc/45/60/97/362456097.db2.gz QNIIUYJXGIVENM-UONOGXRCSA-N 1 0 279.380 2.487 10 0 CEAERO CCc1nc(C[N@@H+]2CCC[C@H]2CCCO)cs1 ZINC000052762944 362473683 /nfs/dbraw/zinc/47/36/83/362473683.db2.gz QUYIXETVTXTZGH-LBPRGKRZSA-N 1 0 254.399 2.442 10 0 CEAERO C[NH2+]CCOCCc1ccc(OC)c(Br)c1 ZINC000083688215 178686749 /nfs/dbraw/zinc/68/67/49/178686749.db2.gz AKBQOXZTRMJUID-UHFFFAOYSA-N 1 0 288.185 2.236 10 0 CEAERO Brc1ccc(NC[C@H]2CCC[NH2+]2)nc1 ZINC000053255348 362489160 /nfs/dbraw/zinc/48/91/60/362489160.db2.gz LWRLQBDFTOAVRS-SECBINFHSA-N 1 0 256.147 2.008 10 0 CEAERO CCO[C@@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]([NH3+])C2)C1(CC)CC ZINC000262606207 344654785 /nfs/dbraw/zinc/65/47/85/344654785.db2.gz BNTFPLTZQDIZPJ-RFQIPJPRSA-N 1 0 282.428 2.214 10 0 CEAERO CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000262643037 344655397 /nfs/dbraw/zinc/65/53/97/344655397.db2.gz PVWWSODFALGNQM-YIYPIFLZSA-N 1 0 282.428 2.071 10 0 CEAERO COC(=O)c1csc(C[NH2+]CC[C@@H]2CCCO2)c1 ZINC000602511779 347062546 /nfs/dbraw/zinc/06/25/46/347062546.db2.gz QYCKXZYPWSGBLD-NSHDSACASA-N 1 0 269.366 2.193 10 0 CEAERO CCC1(CN2C(=O)c3ccccc3C2=O)CC[NH2+]CC1 ZINC000307047355 344719553 /nfs/dbraw/zinc/71/95/53/344719553.db2.gz BEZAVCHNAXEZOX-UHFFFAOYSA-N 1 0 272.348 2.062 10 0 CEAERO CC[N@@H+]1CCN(C(=O)OCc2ccccc2)C[C@@H]1C ZINC000307104143 344720087 /nfs/dbraw/zinc/72/00/87/344720087.db2.gz CHCUKFZKFAMESQ-ZDUSSCGKSA-N 1 0 262.353 2.349 10 0 CEAERO [NH3+][C@@H]1CCO[C@H]1c1cccc(I)c1 ZINC000307436653 344722671 /nfs/dbraw/zinc/72/26/71/344722671.db2.gz RGSGCTOLOKXPJU-ZJUUUORDSA-N 1 0 289.116 2.080 10 0 CEAERO OC[C@@H]1C[C@H]1[NH2+]Cc1ccc(F)c(Br)c1 ZINC000308903315 344728665 /nfs/dbraw/zinc/72/86/65/344728665.db2.gz CRJOWJQRTUEGHT-GZMMTYOYSA-N 1 0 274.133 2.059 10 0 CEAERO CS[C@@H]1CCC[C@H](NC(=O)[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000300408823 344699758 /nfs/dbraw/zinc/69/97/58/344699758.db2.gz AZRPEEGMKFAKIH-XQHKEYJVSA-N 1 0 270.442 2.152 10 0 CEAERO CCS[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000300409339 344699777 /nfs/dbraw/zinc/69/97/77/344699777.db2.gz XMMNZZHGLWSBQQ-MROQNXINSA-N 1 0 270.442 2.152 10 0 CEAERO CNC(=[NH2+])Nc1cccc(I)c1C ZINC000300943008 344702064 /nfs/dbraw/zinc/70/20/64/344702064.db2.gz KMBPTOOLUBKGRP-UHFFFAOYSA-N 1 0 289.120 2.166 10 0 CEAERO CC(C)CNc1ncc(C[NH3+])cc1Br ZINC000306254276 344712459 /nfs/dbraw/zinc/71/24/59/344712459.db2.gz WHAMBAMLNIZOGU-UHFFFAOYSA-N 1 0 258.163 2.371 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)Cc1coc(Br)c1 ZINC000306508273 344713821 /nfs/dbraw/zinc/71/38/21/344713821.db2.gz AIDFAFWXUOADMI-RKDXNWHRSA-N 1 0 272.142 2.281 10 0 CEAERO Nc1ccc(Nc2cnn(Cc3ccccc3)c2)[nH+]c1N ZINC000306883807 344718347 /nfs/dbraw/zinc/71/83/47/344718347.db2.gz PHMPHHLWCFBIOF-UHFFFAOYSA-N 1 0 280.335 2.234 10 0 CEAERO C[N@H+](C[C@@H]1CCc2nccn2C1)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000328631958 344757528 /nfs/dbraw/zinc/75/75/28/344757528.db2.gz LAMBRAYMYNYIRA-XCRHUMRWSA-N 1 0 297.402 2.036 10 0 CEAERO Nc1ccc(N[C@H]2CCC[N@H+](Cc3ccncc3)CC2)cn1 ZINC000328625299 344756164 /nfs/dbraw/zinc/75/61/64/344756164.db2.gz CYJPPMGBSGATPD-HNNXBMFYSA-N 1 0 297.406 2.356 10 0 CEAERO Cc1ccc([C@@H](O)C[N@@H+](C)C[C@@H]2CCc3nccn3C2)cc1 ZINC000328623924 344756518 /nfs/dbraw/zinc/75/65/18/344756518.db2.gz CDMJPUBARHXIKJ-RDJZCZTQSA-N 1 0 299.418 2.419 10 0 CEAERO [NH3+][C@@H](Cc1ccc(F)c(Br)c1)[C@@H]1CCOC1 ZINC000083716717 178722896 /nfs/dbraw/zinc/72/28/96/178722896.db2.gz JHQALYJQGDPPCK-SKDRFNHKSA-N 1 0 288.160 2.495 10 0 CEAERO COC(=O)c1csc(C[NH2+]C[C@@H](O)C(C)(C)C)c1 ZINC000602561423 347078550 /nfs/dbraw/zinc/07/85/50/347078550.db2.gz FISQZVQZVGVHGH-LLVKDONJSA-N 1 0 271.382 2.031 10 0 CEAERO COc1cc(N[C@H]2CCC[NH2+][C@H]2C)c([N+](=O)[O-])cc1C ZINC000380612567 344822795 /nfs/dbraw/zinc/82/27/95/344822795.db2.gz QELDNTWRXWHKBX-QWRGUYRKSA-N 1 0 279.340 2.464 10 0 CEAERO Cc1ccc([C@@H](C)N(C)C(=O)CC2C[NH2+]C2)s1 ZINC000083948575 178765814 /nfs/dbraw/zinc/76/58/14/178765814.db2.gz UTVVBCAADWBGKI-SNVBAGLBSA-N 1 0 252.383 2.185 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+][C@@H]2CO[C@@H](C)C2)c1C ZINC000402280782 344872279 /nfs/dbraw/zinc/87/22/79/344872279.db2.gz FZROYFMIGJBADW-KWBADKCTSA-N 1 0 251.374 2.348 10 0 CEAERO CC[NH2+][C@H](C[S@@](=O)c1ccc(F)c(F)c1)C1CC1 ZINC000084032552 178773316 /nfs/dbraw/zinc/77/33/16/178773316.db2.gz DJXJTMKVSHTEAA-ACJLOTCBSA-N 1 0 273.348 2.461 10 0 CEAERO C[NH2+][C@@H](C)CC[S@@](=O)c1ccc2c(c1)CCC2 ZINC000084031070 178773427 /nfs/dbraw/zinc/77/34/27/178773427.db2.gz JMRQDRAGCYTNTM-GTNSWQLSSA-N 1 0 251.395 2.281 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1[S@](=O)c1ccc(F)c(F)c1 ZINC000084032561 178773482 /nfs/dbraw/zinc/77/34/82/178773482.db2.gz DNAMXVMOOPQBMK-PRXAMGSTSA-N 1 0 259.321 2.342 10 0 CEAERO C[NH2+][C@H](C[S@](=O)CCOC)c1c(C)cc(C)cc1C ZINC000084036192 178776146 /nfs/dbraw/zinc/77/61/46/178776146.db2.gz GHQQBVUFEAUCNH-KUHUBIRLSA-N 1 0 283.437 2.267 10 0 CEAERO COc1ccc(C2CC([NH2+][C@H]3CCC(=O)N(C)C3)C2)cc1 ZINC000084059480 178780166 /nfs/dbraw/zinc/78/01/66/178780166.db2.gz SUGQWTZUKZZULE-SLTAFYQDSA-N 1 0 288.391 2.152 10 0 CEAERO CC(=O)CC(=O)OCCCCCCCC[NH+](C)C ZINC000584600506 344962306 /nfs/dbraw/zinc/96/23/06/344962306.db2.gz JEFIUGSVNXEUPF-UHFFFAOYSA-N 1 0 257.374 2.411 10 0 CEAERO CC[C@@H]1CC[C@H](CCN2CCOCC2)[N@H+](CC)C1 ZINC000584607202 344964114 /nfs/dbraw/zinc/96/41/14/344964114.db2.gz OVDGZSCMQRZMTA-HUUCEWRRSA-N 1 0 254.418 2.219 10 0 CEAERO CCOC[C@@H]([NH3+])Cc1ccc(OC)c(Br)c1 ZINC000084063934 178783309 /nfs/dbraw/zinc/78/33/09/178783309.db2.gz MRNXPYGGWOUYBN-JTQLQIEISA-N 1 0 288.185 2.364 10 0 CEAERO C[C@@H]([NH3+])c1cccc(S[C@H](C)C(=O)NC2CC2)c1 ZINC000084122342 178797339 /nfs/dbraw/zinc/79/73/39/178797339.db2.gz DPQAVKFXJLXZGA-NXEZZACHSA-N 1 0 264.394 2.466 10 0 CEAERO Cc1ccc(Br)c2c(N)c(N)c[nH+]c12 ZINC000584882367 344996107 /nfs/dbraw/zinc/99/61/07/344996107.db2.gz DTZWYDIMWXNMGY-UHFFFAOYSA-N 1 0 252.115 2.300 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000054290145 362521487 /nfs/dbraw/zinc/52/14/87/362521487.db2.gz MRDLQEWDKBUODS-VIFPVBQESA-N 1 0 298.289 2.336 10 0 CEAERO CCOc1ccc(NC(=O)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000054290033 362521904 /nfs/dbraw/zinc/52/19/04/362521904.db2.gz CDJRVHOAHIXROB-LBPRGKRZSA-N 1 0 262.353 2.414 10 0 CEAERO C[NH2+][C@H](C)C(=O)N(C)[C@H](C)c1ccccc1Cl ZINC000054075034 362510454 /nfs/dbraw/zinc/51/04/54/362510454.db2.gz OADSHCPXRHCJAR-NXEZZACHSA-N 1 0 254.761 2.467 10 0 CEAERO C[NH2+]Cc1ccn(-c2cccc(Br)c2)n1 ZINC000084179332 178816167 /nfs/dbraw/zinc/81/61/67/178816167.db2.gz GLKLGWAIRPQESA-UHFFFAOYSA-N 1 0 266.142 2.354 10 0 CEAERO CCc1cc2c(ncnc2N2CC[C@H]([C@@H](C)[NH3+])C2)s1 ZINC000127364727 187300445 /nfs/dbraw/zinc/30/04/45/187300445.db2.gz BUDPEZZVACIEDN-ZJUUUORDSA-N 1 0 276.409 2.427 10 0 CEAERO C[C@@H]1CC[C@H](C[NH3+])[C@H](S(=O)(=O)Cc2ccccc2)C1 ZINC000084268928 178835623 /nfs/dbraw/zinc/83/56/23/178835623.db2.gz JAUSPWVQOKSCOW-BPLDGKMQSA-N 1 0 281.421 2.365 10 0 CEAERO CN[C@@](C)(C[C@H](C)[N@H+](C)C1CCCCC1)C(=O)OC ZINC000084303344 178851189 /nfs/dbraw/zinc/85/11/89/178851189.db2.gz CFDRQRBRTKYEGZ-WFASDCNBSA-N 1 0 270.417 2.181 10 0 CEAERO CCN[C@](C)(C[C@H](C)[N@H+](CC)C(C)C)C(=O)OC ZINC000084306203 178852729 /nfs/dbraw/zinc/85/27/29/178852729.db2.gz DVXUMESNASIHNN-GXTWGEPZSA-N 1 0 258.406 2.037 10 0 CEAERO C[C@H]([NH2+]CCN1CCOCC1)c1ccc(Cl)s1 ZINC000035285901 232175229 /nfs/dbraw/zinc/17/52/29/232175229.db2.gz HFVDPHBOHUTAQY-JTQLQIEISA-N 1 0 274.817 2.384 10 0 CEAERO CCC[NH+](CCC)[C@H](C)C[C@](C)(NC(C)C)C(N)=O ZINC000084302687 178851114 /nfs/dbraw/zinc/85/11/14/178851114.db2.gz VXOIZNXTKIBGRV-HIFRSBDPSA-N 1 0 271.449 2.129 10 0 CEAERO CN[C@@](C)(C[C@H](C)[NH+]1CCC(C)(C)CC1)C(=O)OC ZINC000084354506 178865551 /nfs/dbraw/zinc/86/55/51/178865551.db2.gz AGZVQYVZEHGNKX-WFASDCNBSA-N 1 0 270.417 2.038 10 0 CEAERO CCSCC[C@@H](C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000593910384 345551332 /nfs/dbraw/zinc/55/13/32/345551332.db2.gz VJXDYJQDOOOABB-OPRDCNLKSA-N 1 0 298.374 2.032 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cc2ccccc2[nH]1 ZINC000229588181 539472436 /nfs/dbraw/zinc/47/24/36/539472436.db2.gz NPCPMHKKJMYDCS-ZYHUDNBSSA-N 1 0 257.337 2.038 10 0 CEAERO CC[NH2+][C@H]1CC[C@H](S(=O)(=O)C2CCCCC2)C1 ZINC000084433777 178887874 /nfs/dbraw/zinc/88/78/74/178887874.db2.gz SNEZIPDFJYHAGB-AAEUAGOBSA-N 1 0 259.415 2.265 10 0 CEAERO C[NH2+][C@H]1CC[C@H](Sc2nnnn2C2CCCC2)C1 ZINC000084435439 178888383 /nfs/dbraw/zinc/88/83/83/178888383.db2.gz ILWDCJJFUQEAIH-ONGXEEELSA-N 1 0 267.402 2.021 10 0 CEAERO Cc1ccccc1CS(=O)(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000084430366 178885777 /nfs/dbraw/zinc/88/57/77/178885777.db2.gz JYDVXYHFGSPFHW-ZIAGYGMSSA-N 1 0 267.394 2.180 10 0 CEAERO Cc1ccc(S(=O)(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc1C ZINC000084429898 178885871 /nfs/dbraw/zinc/88/58/71/178885871.db2.gz MTYYWTQUJSZCGU-QWHCGFSZSA-N 1 0 267.394 2.347 10 0 CEAERO CCC[NH2+][C@H](c1cc(CC)nn1C)[C@H]1CCOC1 ZINC000097181986 185557469 /nfs/dbraw/zinc/55/74/69/185557469.db2.gz SOWPAZDBCCHQPX-FZMZJTMJSA-N 1 0 251.374 2.060 10 0 CEAERO CN(CC[N@H+](C)CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000623091758 349936185 /nfs/dbraw/zinc/93/61/85/349936185.db2.gz RCVDOQYVAQNVAE-UHFFFAOYSA-N 1 0 291.222 2.349 10 0 CEAERO CC[NH2+][C@H](C[C@H]1CCS(=O)(=O)C1)c1ccsc1 ZINC000097222610 185568239 /nfs/dbraw/zinc/56/82/39/185568239.db2.gz WGCWBYUEHSGNJL-ZYHUDNBSSA-N 1 0 273.423 2.224 10 0 CEAERO Cc1ccccc1CN1CC2(CC1=O)CC[NH2+]CC2 ZINC000084610241 178903732 /nfs/dbraw/zinc/90/37/32/178903732.db2.gz KDJVSLBPOVWQGU-UHFFFAOYSA-N 1 0 258.365 2.097 10 0 CEAERO C[NH2+][C@@H](CCc1ccccn1)Cc1ncnn1C(C)C ZINC000097277633 185576442 /nfs/dbraw/zinc/57/64/42/185576442.db2.gz QCZXENSCFXCIMR-AWEZNQCLSA-N 1 0 273.384 2.017 10 0 CEAERO CC[NH2+][C@H](CCSC)Cc1ncnn1C(C)C ZINC000097277589 185576749 /nfs/dbraw/zinc/57/67/49/185576749.db2.gz AHEISAGZORPPTM-LLVKDONJSA-N 1 0 256.419 2.133 10 0 CEAERO CC(C)n1ncnc1C[C@H]([NH3+])COc1ccc(Cl)cc1 ZINC000097277378 185577043 /nfs/dbraw/zinc/57/70/43/185577043.db2.gz MWDNPOMQLZUSLA-LBPRGKRZSA-N 1 0 294.786 2.461 10 0 CEAERO Cc1nn(C)c(C)c1[C@H]([NH3+])[C@@H]1CCOC2(CCOCC2)C1 ZINC000097310877 185583204 /nfs/dbraw/zinc/58/32/04/185583204.db2.gz QJMNMDVPVHEXOP-UKRRQHHQSA-N 1 0 293.411 2.013 10 0 CEAERO C[C@H]1CC[C@@H](O[C@@H](C[NH3+])c2cnn(C)c2)C[C@@H]1C ZINC000085011398 178942348 /nfs/dbraw/zinc/94/23/48/178942348.db2.gz PMVWPDAMULBRJP-VTPLQMEGSA-N 1 0 251.374 2.261 10 0 CEAERO COc1ccccc1C[C@@](C)(CCO)C(C)(C)[NH3+] ZINC000097434686 185602916 /nfs/dbraw/zinc/60/29/16/185602916.db2.gz MKBXKIRAYICXIX-OAHLLOKOSA-N 1 0 251.370 2.364 10 0 CEAERO CCOCC[C@@H]([NH2+]C)c1ccccc1OCCOC ZINC000097415146 185599175 /nfs/dbraw/zinc/59/91/75/185599175.db2.gz AAUKMCCGKIYHPM-CQSZACIVSA-N 1 0 267.369 2.399 10 0 CEAERO COC(=O)C[C@@](C)(Cc1ccc(OC)c(OC)c1)[C@H](C)[NH3+] ZINC000097431346 185601400 /nfs/dbraw/zinc/60/14/00/185601400.db2.gz JKGZDPROYQBDCC-MEDUHNTESA-N 1 0 295.379 2.163 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CCCc1cccs1 ZINC000310064282 201868101 /nfs/dbraw/zinc/86/81/01/201868101.db2.gz AQSUKCMCZNSSAE-PWSUYJOCSA-N 1 0 252.383 2.019 10 0 CEAERO COC(=O)C[C@@](C)(c1ccc(OC)c(F)c1)[C@@H](C)[NH3+] ZINC000097431361 185602347 /nfs/dbraw/zinc/60/23/47/185602347.db2.gz SVUJUEBXYPSYKX-YMTOWFKASA-N 1 0 269.316 2.002 10 0 CEAERO C[C@H](CC[NH3+])CNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000097440553 185605269 /nfs/dbraw/zinc/60/52/69/185605269.db2.gz LGXLTOUVHALEAZ-UWJCENJNSA-N 1 0 264.413 2.304 10 0 CEAERO COCC1CC[NH+](Cc2ccc(N)cc2F)CC1 ZINC000085146628 178956739 /nfs/dbraw/zinc/95/67/39/178956739.db2.gz OMMNTAXBTNNIRU-UHFFFAOYSA-N 1 0 252.333 2.266 10 0 CEAERO C[C@@H](CC[NH3+])CNc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000097441271 185605025 /nfs/dbraw/zinc/60/50/25/185605025.db2.gz QTTXRZSRIMPTIA-VIFPVBQESA-N 1 0 292.351 2.080 10 0 CEAERO CC[C@@H]1CN(C(=O)C2CCC(C[NH3+])CC2)CCS1 ZINC000097467594 185612238 /nfs/dbraw/zinc/61/22/38/185612238.db2.gz HTKMPKHOZYRXGU-WXRRBKDZSA-N 1 0 270.442 2.106 10 0 CEAERO Cc1cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)ccc1Cl ZINC000128351036 187365190 /nfs/dbraw/zinc/36/51/90/187365190.db2.gz ILBUXVVXLJMCJI-GFCCVEGCSA-N 1 0 266.772 2.425 10 0 CEAERO C[C@H]([N@H+](C)C[C@@](N)(CO)c1ccccc1)C(C)(C)C ZINC000085241800 178982988 /nfs/dbraw/zinc/98/29/88/178982988.db2.gz XNKMNLGIXYGSLW-XJKSGUPXSA-N 1 0 264.413 2.199 10 0 CEAERO NC(=S)c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000094461264 136513601 /nfs/dbraw/zinc/51/36/01/136513601.db2.gz OGVRNHNGUAMQCS-LLVKDONJSA-N 1 0 295.839 2.259 10 0 CEAERO COC(=O)c1ccccc1C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000128348428 187365582 /nfs/dbraw/zinc/36/55/82/187365582.db2.gz JOPNPXCYHWAWJT-ZDUSSCGKSA-N 1 0 299.374 2.196 10 0 CEAERO CCS(=O)(=O)c1ccccc1N[C@@H](C)CCCC[NH3+] ZINC000311894690 201897730 /nfs/dbraw/zinc/89/77/30/201897730.db2.gz ZFMSJXLTJNQXRQ-LBPRGKRZSA-N 1 0 284.425 2.410 10 0 CEAERO CCC(CC)CN(CC)C[C@](CO)([NH2+]C)C1CC1 ZINC000085242664 178985523 /nfs/dbraw/zinc/98/55/23/178985523.db2.gz HNJBQLWWRQSNJH-OAHLLOKOSA-N 1 0 256.434 2.105 10 0 CEAERO CC[NH2+][C@@H](C)c1cc(F)c(C)cc1N1CCS(=O)CC1 ZINC000094766158 136514478 /nfs/dbraw/zinc/51/44/78/136514478.db2.gz WHMSGCKBKGSBPU-LBPRGKRZSA-N 1 0 298.427 2.373 10 0 CEAERO CC(C)[NH2+][C@@H](CO)CCN(CC(F)(F)F)C(C)C ZINC000085241573 178981733 /nfs/dbraw/zinc/98/17/33/178981733.db2.gz LGCLYKMWGKZQPV-LLVKDONJSA-N 1 0 270.339 2.008 10 0 CEAERO CCC(CC)([C@@H](NN)c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000097586341 185632315 /nfs/dbraw/zinc/63/23/15/185632315.db2.gz SZJBAQSJHUUWGD-HNNXBMFYSA-N 1 0 295.427 2.329 10 0 CEAERO CCC(CC)([C@H](Cc1ccccn1)NN)[NH+]1CCCC1 ZINC000097587083 185632556 /nfs/dbraw/zinc/63/25/56/185632556.db2.gz BOGZGFJPQMYXKK-HNNXBMFYSA-N 1 0 276.428 2.111 10 0 CEAERO NN[C@H](Cc1ccncc1)C1([NH+]2CCCCC2)CCCC1 ZINC000097588699 185633290 /nfs/dbraw/zinc/63/32/90/185633290.db2.gz CXVPEJSOERKQIC-MRXNPFEDSA-N 1 0 288.439 2.255 10 0 CEAERO NN[C@@H](CC1CCOCC1)C1([NH+]2CCCCC2)CCCC1 ZINC000097588571 185633964 /nfs/dbraw/zinc/63/39/64/185633964.db2.gz WLINWXBTHXOEAI-INIZCTEOSA-N 1 0 295.471 2.434 10 0 CEAERO Cc1cc(C)cc(OCC[C@@H](CO)[NH2+]C(C)C)c1 ZINC000085284792 179002546 /nfs/dbraw/zinc/00/25/46/179002546.db2.gz NXFGYMVDBAKFEV-AWEZNQCLSA-N 1 0 251.370 2.431 10 0 CEAERO Cc1ccc(OC[C@](C)([NH3+])CO)c(C(C)(C)C)c1 ZINC000085283148 179000766 /nfs/dbraw/zinc/00/07/66/179000766.db2.gz LBCCFHCSEIHYOV-OAHLLOKOSA-N 1 0 251.370 2.381 10 0 CEAERO CC(C)[NH2+][C@H](CO)CCOc1ccc(F)cc1F ZINC000085283064 179000841 /nfs/dbraw/zinc/00/08/41/179000841.db2.gz USTBZLMSQVHAHV-NSHDSACASA-N 1 0 259.296 2.093 10 0 CEAERO CCc1ccc(OC[C@H]([NH3+])CO)c(C(C)(C)C)c1 ZINC000085282880 179000932 /nfs/dbraw/zinc/00/09/32/179000932.db2.gz ZPWNHHIKDYZNPB-GFCCVEGCSA-N 1 0 251.370 2.245 10 0 CEAERO CCC(C)(C)c1ccc(OCC[C@H]([NH3+])CO)cc1 ZINC000085284500 179002063 /nfs/dbraw/zinc/00/20/63/179002063.db2.gz ANHCOVVBBCDIEF-ZDUSSCGKSA-N 1 0 251.370 2.463 10 0 CEAERO CC[NH2+][C@](C)(CO)CCCOc1cccc(OC)c1 ZINC000085284047 179002307 /nfs/dbraw/zinc/00/23/07/179002307.db2.gz UBCAOKVQBFFCHH-HNNXBMFYSA-N 1 0 267.369 2.215 10 0 CEAERO Cc1c(Cl)cnn1CCC[C@](C)(CO)[NH2+]C(C)C ZINC000085264650 178994965 /nfs/dbraw/zinc/99/49/65/178994965.db2.gz IBVYXAHGRYUJGL-CYBMUJFWSA-N 1 0 273.808 2.374 10 0 CEAERO COCC[C@H](C)[C@@H](NN)C1([NH+](C)C)CCCCCC1 ZINC000097591115 185634778 /nfs/dbraw/zinc/63/47/78/185634778.db2.gz DKZRFQGZAVSCQU-UONOGXRCSA-N 1 0 271.449 2.146 10 0 CEAERO C[C@@](CO)(CCOc1cccc(F)c1)[NH2+]C1CC1 ZINC000085285502 179003269 /nfs/dbraw/zinc/00/32/69/179003269.db2.gz VPUCSKDLLGGNCJ-AWEZNQCLSA-N 1 0 253.317 2.098 10 0 CEAERO C[NH2+][C@@](C)(CO)C[C@@H](C)Oc1ccc(C)cc1OC ZINC000085285990 179003381 /nfs/dbraw/zinc/00/33/81/179003381.db2.gz VGSCAYOGJXKRFL-IUODEOHRSA-N 1 0 267.369 2.131 10 0 CEAERO [NH3+][C@](CO)(COc1cccc(F)c1)c1ccccc1 ZINC000085285469 179003564 /nfs/dbraw/zinc/00/35/64/179003564.db2.gz CWDQYONTOXVACC-OAHLLOKOSA-N 1 0 261.296 2.051 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCCOc1ccc(F)c(F)c1 ZINC000085286811 179004807 /nfs/dbraw/zinc/00/48/07/179004807.db2.gz HJLZKLVGSMOHQC-CQSZACIVSA-N 1 0 273.323 2.484 10 0 CEAERO C[NH2+][C@@](CO)(CSc1ccccc1F)C1CC1 ZINC000085291002 179006783 /nfs/dbraw/zinc/00/67/83/179006783.db2.gz JIAOEBWEMQRZHG-ZDUSSCGKSA-N 1 0 255.358 2.278 10 0 CEAERO C[C@]([NH3+])(CO)CCSc1ccc(C(F)(F)F)cn1 ZINC000085291789 179006996 /nfs/dbraw/zinc/00/69/96/179006996.db2.gz OTOHCJGKMRWSJG-SNVBAGLBSA-N 1 0 280.315 2.292 10 0 CEAERO CC(C)[NH2+][C@H](CO)CSc1nc2ccccc2o1 ZINC000085292362 179007871 /nfs/dbraw/zinc/00/78/71/179007871.db2.gz QVWIGHZJAXIIAC-SNVBAGLBSA-N 1 0 266.366 2.279 10 0 CEAERO CC[NH2+][C@](C)(CO)C[C@H](C)Sc1ccccn1 ZINC000085292089 179008061 /nfs/dbraw/zinc/00/80/61/179008061.db2.gz JNVCPXKTKPOVMP-AAEUAGOBSA-N 1 0 254.399 2.313 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)C[C@H](C)Sc1ncccn1 ZINC000085292778 179008236 /nfs/dbraw/zinc/00/82/36/179008236.db2.gz RHGWARWJZMFOFJ-AAEUAGOBSA-N 1 0 269.414 2.096 10 0 CEAERO [NH3+][C@](CO)(CSc1ccc2c(c1)CCC2)C1CC1 ZINC000085292914 179008238 /nfs/dbraw/zinc/00/82/38/179008238.db2.gz YUEDRACGXJCDGO-OAHLLOKOSA-N 1 0 263.406 2.367 10 0 CEAERO CC[NH2+][C@H](CO)CSc1ccc2c(c1)CCC2 ZINC000085292907 179008473 /nfs/dbraw/zinc/00/84/73/179008473.db2.gz QKFOZBVUZGTKDP-CYBMUJFWSA-N 1 0 251.395 2.238 10 0 CEAERO Cc1nnc(SC[C@@](CO)([NH2+]C(C)C)C2CC2)s1 ZINC000085297098 179008486 /nfs/dbraw/zinc/00/84/86/179008486.db2.gz XOMFQALBEGVLCE-GFCCVEGCSA-N 1 0 287.454 2.078 10 0 CEAERO CC[NH2+][C@H](CO)CSc1nc2ccccc2s1 ZINC000085298716 179009110 /nfs/dbraw/zinc/00/91/10/179009110.db2.gz LUMNUNWPULYUFP-SECBINFHSA-N 1 0 268.407 2.359 10 0 CEAERO OC[C@H](CSc1ccc(F)c(F)c1)[NH2+]C1CC1 ZINC000085298104 179009155 /nfs/dbraw/zinc/00/91/55/179009155.db2.gz ACGVHAIEAGJONR-SECBINFHSA-N 1 0 259.321 2.170 10 0 CEAERO C[NH2+][C@@H](CO)CCSc1nc2ccccc2s1 ZINC000085298766 179009570 /nfs/dbraw/zinc/00/95/70/179009570.db2.gz LISAZQYOFUCHMD-SECBINFHSA-N 1 0 268.407 2.359 10 0 CEAERO C[C@@H]1C[C@@H](OC[C@@](O)(C[NH3+])C2CC2)CC(C)(C)C1 ZINC000085305694 179011870 /nfs/dbraw/zinc/01/18/70/179011870.db2.gz SSTRQHTVSZJUEK-KYOSRNDESA-N 1 0 255.402 2.318 10 0 CEAERO COc1cc(C)ccc1OCCCC[C@](C)(O)C[NH3+] ZINC000085307322 179012481 /nfs/dbraw/zinc/01/24/81/179012481.db2.gz XMDNQWGSFNQERO-HNNXBMFYSA-N 1 0 267.369 2.262 10 0 CEAERO CC(C)C[C@@H](C)OC[C@@](O)(C[NH3+])c1ccccc1 ZINC000085306183 179012675 /nfs/dbraw/zinc/01/26/75/179012675.db2.gz UWRDCXFZUNYHGM-HIFRSBDPSA-N 1 0 251.370 2.284 10 0 CEAERO Cc1ccc(SC[C@](O)(C[NH3+])C2CC2)cc1C ZINC000085308608 179013215 /nfs/dbraw/zinc/01/32/15/179013215.db2.gz NZEREQRAIYFFBH-CQSZACIVSA-N 1 0 251.395 2.495 10 0 CEAERO C[C@@H](C[NH3+])SCc1noc(-c2cccs2)n1 ZINC000085308000 179013220 /nfs/dbraw/zinc/01/32/20/179013220.db2.gz LNOPOGSLNDQBQO-ZETCQYMHSA-N 1 0 255.368 2.379 10 0 CEAERO C[C@@H](NC(=O)CSC[C@H](C)[NH3+])c1cccs1 ZINC000085313980 179013790 /nfs/dbraw/zinc/01/37/90/179013790.db2.gz VOGSFQXTTKJLDI-DTWKUNHWSA-N 1 0 258.412 2.006 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1c1nc2ccccc2n1CCO ZINC000085321809 179015344 /nfs/dbraw/zinc/01/53/44/179015344.db2.gz PGXBMDPRCHWSGK-NEPJUHHUSA-N 1 0 259.353 2.014 10 0 CEAERO C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085356525 179030309 /nfs/dbraw/zinc/03/03/09/179030309.db2.gz OWCRXEPNOLUANL-BNOWGMLFSA-N 1 0 258.365 2.482 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)NCc1ccc(Br)cc1 ZINC000085357169 179030974 /nfs/dbraw/zinc/03/09/74/179030974.db2.gz BNEVBCTUKSAALG-NEPJUHHUSA-N 1 0 297.196 2.193 10 0 CEAERO CC(=O)Nc1ccc(NC(=O)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000085357395 179030994 /nfs/dbraw/zinc/03/09/94/179030994.db2.gz JATOEKXFFZDQPN-UONOGXRCSA-N 1 0 275.352 2.101 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000085360368 179032271 /nfs/dbraw/zinc/03/22/71/179032271.db2.gz ASYFOAFQBVVENU-LSDHHAIUSA-N 1 0 284.363 2.328 10 0 CEAERO COC(=O)c1cc(Cl)ccc1NC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085360402 179032413 /nfs/dbraw/zinc/03/24/13/179032413.db2.gz NCEHNADKAPIORD-MWLCHTKSSA-N 1 0 296.754 2.193 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000085360364 179032420 /nfs/dbraw/zinc/03/24/20/179032420.db2.gz ASYFOAFQBVVENU-GJZGRUSLSA-N 1 0 284.363 2.328 10 0 CEAERO CCC(=O)Nc1ccc(C)c(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000085360298 179032483 /nfs/dbraw/zinc/03/24/83/179032483.db2.gz XTRXMXFGWJMOLG-OLZOCXBDSA-N 1 0 289.379 2.409 10 0 CEAERO CC(=O)Nc1ccc(F)c(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000085359851 179032509 /nfs/dbraw/zinc/03/25/09/179032509.db2.gz VWXKQZVRFTXPNH-DGCLKSJQSA-N 1 0 293.342 2.240 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)Nc1cccc2cnccc21 ZINC000085360676 179033015 /nfs/dbraw/zinc/03/30/15/179033015.db2.gz BXMRRTXHKPFSOU-QWHCGFSZSA-N 1 0 255.321 2.301 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1cccc2cnccc21 ZINC000085360674 179033180 /nfs/dbraw/zinc/03/31/80/179033180.db2.gz BXMRRTXHKPFSOU-CHWSQXEVSA-N 1 0 255.321 2.301 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1-n1cccn1 ZINC000085362164 179033539 /nfs/dbraw/zinc/03/35/39/179033539.db2.gz HPFCHDBBNAGORN-CHWSQXEVSA-N 1 0 284.363 2.328 10 0 CEAERO COC(=O)c1cccc(NC(=O)[C@H]2CCCC[C@H]2[NH3+])c1C ZINC000085362421 179033943 /nfs/dbraw/zinc/03/39/43/179033943.db2.gz GUQSAMFICZYKQT-QWHCGFSZSA-N 1 0 290.363 2.238 10 0 CEAERO CC(C)C(=O)Nc1cccc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000085363427 179034621 /nfs/dbraw/zinc/03/46/21/179034621.db2.gz LSABHKMHWCDLDQ-KBPBESRZSA-N 1 0 289.379 2.347 10 0 CEAERO CN(C)c1ccc(Cl)cc1NC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085363501 179034686 /nfs/dbraw/zinc/03/46/86/179034686.db2.gz DWKSBTOBKPGNTD-WDEREUQCSA-N 1 0 281.787 2.472 10 0 CEAERO COc1ccc(F)cc1[C@H](C)NC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085364310 179035386 /nfs/dbraw/zinc/03/53/86/179035386.db2.gz USBXQKLEUMOBRQ-GAFUQQFSSA-N 1 0 280.343 2.139 10 0 CEAERO COc1ccccc1C[C@@H](C)NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085365951 179036706 /nfs/dbraw/zinc/03/67/06/179036706.db2.gz IPJJVSRJAIZQDV-SNPRPXQTSA-N 1 0 290.407 2.260 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000085367256 179037507 /nfs/dbraw/zinc/03/75/07/179037507.db2.gz UTSDSVGDOOEGBL-GJZGRUSLSA-N 1 0 276.355 2.444 10 0 CEAERO CC(C)N(Cc1cccnc1)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085369170 179038449 /nfs/dbraw/zinc/03/84/49/179038449.db2.gz DPVDVHGJPKOWDM-HUUCEWRRSA-N 1 0 275.396 2.336 10 0 CEAERO Cc1cc([C@@H]2CCCN2C(=O)[C@H]2CCCC[C@@H]2[NH3+])on1 ZINC000085369078 179038592 /nfs/dbraw/zinc/03/85/92/179038592.db2.gz SDMGTFYWUJXUEZ-AVGNSLFASA-N 1 0 277.368 2.164 10 0 CEAERO CCC1CCC(CNC(=O)[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000085369590 179039406 /nfs/dbraw/zinc/03/94/06/179039406.db2.gz VFSMJAHFRINFAY-NWINJMCUSA-N 1 0 252.402 2.446 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)NCc1cc2c(s1)CCC2 ZINC000085370591 179040641 /nfs/dbraw/zinc/04/06/41/179040641.db2.gz BJEPRMSLIJSKOS-QWHCGFSZSA-N 1 0 278.421 2.371 10 0 CEAERO C[C@H](O)c1ccccc1NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085372678 179042084 /nfs/dbraw/zinc/04/20/84/179042084.db2.gz XZZMXFFPXHVTDW-UHTWSYAYSA-N 1 0 262.353 2.196 10 0 CEAERO C[C@@H](O)c1ccccc1NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085372679 179042307 /nfs/dbraw/zinc/04/23/07/179042307.db2.gz XZZMXFFPXHVTDW-RTXFEEFZSA-N 1 0 262.353 2.196 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)NCc1ccc(F)c(Cl)c1 ZINC000085374210 179042866 /nfs/dbraw/zinc/04/28/66/179042866.db2.gz BGZCWSOUMMZREK-BXKDBHETSA-N 1 0 270.735 2.223 10 0 CEAERO CCOC(=O)c1cc(C)sc1NC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085375418 179043886 /nfs/dbraw/zinc/04/38/86/179043886.db2.gz OIUXWKFKDWLGDY-MWLCHTKSSA-N 1 0 296.392 2.299 10 0 CEAERO Cc1csc([C@H](C)NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])n1 ZINC000085376297 179044649 /nfs/dbraw/zinc/04/46/49/179044649.db2.gz VSPNDOKRDILUIJ-AXFHLTTASA-N 1 0 267.398 2.146 10 0 CEAERO CN(C(=O)[C@@H]1CC[NH2+]C1)[C@H]1CCCc2ccccc21 ZINC000062114558 362708102 /nfs/dbraw/zinc/70/81/02/362708102.db2.gz UWKMDCZZPFBICQ-HIFRSBDPSA-N 1 0 258.365 2.132 10 0 CEAERO Clc1ccc(Cc2noc([C@H]3CC[NH2+]C3)n2)cc1 ZINC000062119525 362710802 /nfs/dbraw/zinc/71/08/02/362710802.db2.gz PLCBQXMPFUUHFX-JTQLQIEISA-N 1 0 263.728 2.391 10 0 CEAERO C[C@@H]([NH3+])c1ccccc1Nc1ccnc(N(C)C)n1 ZINC000085432775 179060209 /nfs/dbraw/zinc/06/02/09/179060209.db2.gz ZKJUTLGNFAJJJT-SNVBAGLBSA-N 1 0 257.341 2.306 10 0 CEAERO CC(C)C[C@@H]1CN(CCOc2ccccc2)CC[NH2+]1 ZINC000085435029 179061306 /nfs/dbraw/zinc/06/13/06/179061306.db2.gz RYJSFDLTALBOCT-OAHLLOKOSA-N 1 0 262.397 2.385 10 0 CEAERO COc1ccc(CN2CC[NH2+][C@@H](C3CC3)C2)cc1F ZINC000085434882 179061444 /nfs/dbraw/zinc/06/14/44/179061444.db2.gz UQOBHJJHUZREHA-CQSZACIVSA-N 1 0 264.344 2.018 10 0 CEAERO CC[C@@H]1C[NH2+]C(C)(C)CN1CCOCC(F)(F)F ZINC000085469131 179074913 /nfs/dbraw/zinc/07/49/13/179074913.db2.gz IAVOFSZDXNBTAJ-SNVBAGLBSA-N 1 0 268.323 2.028 10 0 CEAERO CC[C@H]1CNC(C)(C)C[N@@H+]1CCCOCC(F)(F)F ZINC000085469346 179074920 /nfs/dbraw/zinc/07/49/20/179074920.db2.gz RYOZPJSENVBZEK-NSHDSACASA-N 1 0 282.350 2.418 10 0 CEAERO CCC[C@H]1C[N@H+](CCCOC)[C@@](C)(C2CC2)CN1 ZINC000085466408 179071768 /nfs/dbraw/zinc/07/17/68/179071768.db2.gz GDDLVOAENJMYJZ-LSDHHAIUSA-N 1 0 254.418 2.266 10 0 CEAERO [NH3+][C@H]1CCCCC[C@H]1Nc1ncncc1Br ZINC000085466678 179071806 /nfs/dbraw/zinc/07/18/06/179071806.db2.gz ZOXJFFHKWZESTM-VHSXEESVSA-N 1 0 285.189 2.311 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(CCOCCC(C)C)CC[NH2+]1 ZINC000085449654 179064820 /nfs/dbraw/zinc/06/48/20/179064820.db2.gz SGIPRCBBLODRCU-CABCVRRESA-N 1 0 256.434 2.369 10 0 CEAERO CC(C)n1ccc(CN2CC[NH2+]C[C@@]2(C)C2CC2)n1 ZINC000085452578 179066361 /nfs/dbraw/zinc/06/63/61/179066361.db2.gz AXFPUACNJWEMRX-HNNXBMFYSA-N 1 0 262.401 2.038 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@H](C)CN1CCOCC(F)(F)F ZINC000085454103 179066757 /nfs/dbraw/zinc/06/67/57/179066757.db2.gz SAOJNQRMIXQNCA-MNOVXSKESA-N 1 0 268.323 2.028 10 0 CEAERO CCC[C@@H]1CN(CCCn2ccnc2)C(C)(C)C[NH2+]1 ZINC000085455482 179067689 /nfs/dbraw/zinc/06/76/89/179067689.db2.gz JUGXWAWSRQJUSZ-CQSZACIVSA-N 1 0 264.417 2.126 10 0 CEAERO CC[C@@H]1CN(Cc2ccn(C(C)C)n2)C(C)(C)C[NH2+]1 ZINC000085474301 179077815 /nfs/dbraw/zinc/07/78/15/179077815.db2.gz RCBVFOZYNJZSQS-CYBMUJFWSA-N 1 0 264.417 2.426 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(Cc2cnn(C)c2)C(C)(C)C[NH2+]1 ZINC000085493133 179082179 /nfs/dbraw/zinc/08/21/79/179082179.db2.gz FLRRWCZWIJJNSS-OCCSQVGLSA-N 1 0 264.417 2.019 10 0 CEAERO CCOCC[N@@H+]1C[C@@H](C(C)(C)C)NC[C@@H]1C(C)C ZINC000085475876 179078603 /nfs/dbraw/zinc/07/86/03/179078603.db2.gz VHGKFLZOCZLQDN-KGLIPLIRSA-N 1 0 256.434 2.367 10 0 CEAERO CC[C@H]1CN([C@@H]2CCOC2)C2(CCCCC2)C[NH2+]1 ZINC000085474964 179078893 /nfs/dbraw/zinc/07/88/93/179078893.db2.gz YYBUXJVDALDJFQ-UONOGXRCSA-N 1 0 252.402 2.162 10 0 CEAERO CC[C@@H](C)[C@H]1CN[C@H](C(C)(C)C)C[N@@H+]1CCOC ZINC000085476081 179079420 /nfs/dbraw/zinc/07/94/20/179079420.db2.gz WLXJFUQLRZSZAR-MCIONIFRSA-N 1 0 256.434 2.367 10 0 CEAERO CC[C@@H](C)[C@@H]1CN([C@@H]2CCOC2)[C@H](C(C)C)C[NH2+]1 ZINC000085491512 179080934 /nfs/dbraw/zinc/08/09/34/179080934.db2.gz RDCBBGARAXVZNU-KBXIAJHMSA-N 1 0 254.418 2.120 10 0 CEAERO CC[C@@H](C)[C@H]1CN([C@@H]2CCOC2)[C@H](C(C)C)C[NH2+]1 ZINC000085491519 179081073 /nfs/dbraw/zinc/08/10/73/179081073.db2.gz RDCBBGARAXVZNU-TUVASFSCSA-N 1 0 254.418 2.120 10 0 CEAERO CCOCCN1C[C@H](CC(C)C)[NH2+]C[C@@H]1C(C)C ZINC000085487713 179081505 /nfs/dbraw/zinc/08/15/05/179081505.db2.gz MYMJTECVCMLVTG-LSDHHAIUSA-N 1 0 256.434 2.367 10 0 CEAERO CCC[C@H]1C[NH2+][C@@](C)(CC)CN1CCn1cccn1 ZINC000085495011 179081872 /nfs/dbraw/zinc/08/18/72/179081872.db2.gz ASYYQLCJSSGNOK-GJZGRUSLSA-N 1 0 264.417 2.126 10 0 CEAERO CC[C@H](C)[C@H]1CNC(C)(C)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085470181 179075579 /nfs/dbraw/zinc/07/55/79/179075579.db2.gz JMXNZSQRAGCEQE-MELADBBJSA-N 1 0 254.418 2.264 10 0 CEAERO C[C@H]1CN[C@@H](c2ccccc2)C[N@@H+]1CCCn1ccnc1 ZINC000085504284 179084755 /nfs/dbraw/zinc/08/47/55/179084755.db2.gz FCCLBVGNOXKQSH-DOTOQJQBSA-N 1 0 284.407 2.308 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)CCc2c[nH]c3ccccc23)C1 ZINC000062983772 362737549 /nfs/dbraw/zinc/73/75/49/362737549.db2.gz BXUTZVBEBOGVQG-AWEZNQCLSA-N 1 0 285.391 2.263 10 0 CEAERO CC[C@]1(C)CN[C@H](c2ccccc2)C[N@@H+]1CCOC ZINC000085508017 179085946 /nfs/dbraw/zinc/08/59/46/179085946.db2.gz XPPCEAYEPWXOGI-JKSUJKDBSA-N 1 0 262.397 2.448 10 0 CEAERO CC[C@]1(C)CN[C@@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085515324 179086371 /nfs/dbraw/zinc/08/63/71/179086371.db2.gz JFXMTURUUYVSER-NUEKZKHPSA-N 1 0 266.429 2.266 10 0 CEAERO CC[C@]1(C)C[NH2+][C@](C)(C2CC2)CN1CCn1cccn1 ZINC000085515063 179086576 /nfs/dbraw/zinc/08/65/76/179086576.db2.gz VPWSBOPGJWFZQH-CVEARBPZSA-N 1 0 276.428 2.126 10 0 CEAERO CCn1cc(CN2CC(CC)(CC)[NH2+]C[C@H]2C)cn1 ZINC000085516891 179087494 /nfs/dbraw/zinc/08/74/94/179087494.db2.gz OFXMLBQXOQXZOP-CYBMUJFWSA-N 1 0 264.417 2.256 10 0 CEAERO CCC1(CC)CN(CCOCC(F)(F)F)[C@@H](C)C[NH2+]1 ZINC000085516705 179087653 /nfs/dbraw/zinc/08/76/53/179087653.db2.gz OTUMMLWVLSTTCL-NSHDSACASA-N 1 0 282.350 2.418 10 0 CEAERO CC[C@H]1C[NH2+]C(CC)(CC)CN1Cc1ncccn1 ZINC000085517274 179088010 /nfs/dbraw/zinc/08/80/10/179088010.db2.gz BREFDMNIKOAFTP-ZDUSSCGKSA-N 1 0 262.401 2.219 10 0 CEAERO CC(C)n1ccc(CN2C[C@H](C3CC3)[NH2+]C[C@@H]2C)n1 ZINC000085521749 179088703 /nfs/dbraw/zinc/08/87/03/179088703.db2.gz YNHWHZMTBWQXSA-SWLSCSKDSA-N 1 0 262.401 2.036 10 0 CEAERO CCC[C@H]1CNC2(CCCC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085497990 179083304 /nfs/dbraw/zinc/08/33/04/179083304.db2.gz MHPKMJNHEBONKA-GJZGRUSLSA-N 1 0 266.429 2.410 10 0 CEAERO COCCC[N@@H+]1CC2(CCCC2)NC[C@H]1C1CC1 ZINC000085498236 179083791 /nfs/dbraw/zinc/08/37/91/179083791.db2.gz LHXCHRGNTUNHLP-AWEZNQCLSA-N 1 0 252.402 2.020 10 0 CEAERO C[C@H]1C[NH2+][C@@H](c2ccccc2)CN1Cc1ncccn1 ZINC000085504501 179084650 /nfs/dbraw/zinc/08/46/50/179084650.db2.gz GSXIUFRJFIRBJM-DZGCQCFKSA-N 1 0 268.364 2.012 10 0 CEAERO CC(C)c1nc2c(n1C[C@H]1CCCCO1)CC[NH2+]C2 ZINC000085572446 179097500 /nfs/dbraw/zinc/09/75/00/179097500.db2.gz SWPDTRMOWLDIJK-GFCCVEGCSA-N 1 0 263.385 2.221 10 0 CEAERO CC[C@@H](C)[C@@H]1CN[C@H](C2CC2)C[N@@H+]1CCCn1ccnc1 ZINC000085524858 179089161 /nfs/dbraw/zinc/08/91/61/179089161.db2.gz KPDWCPFXHHQXMW-PVAVHDDUSA-N 1 0 290.455 2.372 10 0 CEAERO CC(C)C[C@H]1C[NH2+][C@H](C2CC2)CN1Cc1cnn(C)c1 ZINC000085526072 179089933 /nfs/dbraw/zinc/08/99/33/179089933.db2.gz BVWQAKUSIGFYGH-HOTGVXAUSA-N 1 0 276.428 2.019 10 0 CEAERO CC[C@H](C)[C@H]1C[NH2+][C@H](C2CC2)CN1Cc1ncccn1 ZINC000085525063 179089956 /nfs/dbraw/zinc/08/99/56/179089956.db2.gz YXBJNDKVBGWKSC-AEGPPILISA-N 1 0 274.412 2.075 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@H](C2CC2)CN1CCOCC(F)(F)F ZINC000085528264 179090198 /nfs/dbraw/zinc/09/01/98/179090198.db2.gz KUJJXLAUHKKTJZ-STQMWFEESA-N 1 0 294.361 2.418 10 0 CEAERO CCOCC[N@@H+]1C[C@@H](C2CC2)NCC1(CC)CC ZINC000085528747 179090982 /nfs/dbraw/zinc/09/09/82/179090982.db2.gz VATXCMXSVNJOLR-AWEZNQCLSA-N 1 0 254.418 2.266 10 0 CEAERO COCC[N@@H+]1C[C@@](C)(c2ccccc2)NC[C@@H]1C(C)C ZINC000085532215 179091532 /nfs/dbraw/zinc/09/15/32/179091532.db2.gz KRXYQFYPSANGHD-SJORKVTESA-N 1 0 276.424 2.478 10 0 CEAERO Cc1nc2ccc(OCC[NH+](C)C)c(N)c2s1 ZINC000085554744 179093262 /nfs/dbraw/zinc/09/32/62/179093262.db2.gz HMLQFLJEWSWSCM-UHFFFAOYSA-N 1 0 251.355 2.127 10 0 CEAERO FC(F)(F)Cn1c2c(nc1C(F)(F)F)C[NH2+]CC2 ZINC000085568624 179095000 /nfs/dbraw/zinc/09/50/00/179095000.db2.gz BKHUHFFTOKBBKK-UHFFFAOYSA-N 1 0 273.180 2.110 10 0 CEAERO CC(C)(C)c1nc2c(n1CCCn1ccnc1)CC[NH2+]C2 ZINC000085568586 179095215 /nfs/dbraw/zinc/09/52/15/179095215.db2.gz QJLAMHNRBNENFQ-UHFFFAOYSA-N 1 0 287.411 2.113 10 0 CEAERO CC(C)Oc1ccc(-n2cnc3c2CC[NH2+]C3)cc1 ZINC000085566999 179095276 /nfs/dbraw/zinc/09/52/76/179095276.db2.gz HKBVTYMGRPWOHO-UHFFFAOYSA-N 1 0 257.337 2.305 10 0 CEAERO C[C@@H]([C@@H]1CCCO1)n1c2c(nc1C1CC1)C[NH2+]CC2 ZINC000085570112 179096488 /nfs/dbraw/zinc/09/64/88/179096488.db2.gz HGBXVVZRBDTLDP-HZMBPMFUSA-N 1 0 261.369 2.146 10 0 CEAERO CCCCCNC(=O)[C@H](C)[NH2+][C@H](CO)c1ccccc1 ZINC000063002752 362741592 /nfs/dbraw/zinc/74/15/92/362741592.db2.gz HWLANVKXKZNXNO-DZGCQCFKSA-N 1 0 278.396 2.005 10 0 CEAERO CCc1nc2c(n1-c1cccc(COC)c1)CC[NH2+]C2 ZINC000085573359 179098832 /nfs/dbraw/zinc/09/88/32/179098832.db2.gz ZYUQSSDQQALFAZ-UHFFFAOYSA-N 1 0 271.364 2.227 10 0 CEAERO CCCCOC[C@@H](O)C[N@@H+]1CCC[C@@H](CSC)C1 ZINC000336795462 365818040 /nfs/dbraw/zinc/81/80/40/365818040.db2.gz KTTSLKGSPNPFKG-KGLIPLIRSA-N 1 0 275.458 2.239 10 0 CEAERO C1C[C@@H](N2CCC[NH2+][C@@H](C3CCCCC3)C2)CO1 ZINC000085615181 179103979 /nfs/dbraw/zinc/10/39/79/179103979.db2.gz VCHILZPFKLQKLS-HUUCEWRRSA-N 1 0 252.402 2.020 10 0 CEAERO c1ccc(OCCN2CCC[NH2+][C@@H](C3CC3)C2)cc1 ZINC000085615961 179104020 /nfs/dbraw/zinc/10/40/20/179104020.db2.gz WZVVUSMUFTUXSK-MRXNPFEDSA-N 1 0 260.381 2.139 10 0 CEAERO COCCC[N@@H+]1CCCN[C@](C)(c2ccccc2)C1 ZINC000085615472 179104051 /nfs/dbraw/zinc/10/40/51/179104051.db2.gz COSQUNLRJOMIOA-INIZCTEOSA-N 1 0 262.397 2.234 10 0 CEAERO CC(C)n1ccc(CN2CC(C)(C)[NH2+]CC[C@@H]2C)n1 ZINC000085622642 179105309 /nfs/dbraw/zinc/10/53/09/179105309.db2.gz RCWYMMPYCCVCKV-ZDUSSCGKSA-N 1 0 264.417 2.426 10 0 CEAERO CCN(CC)C(=O)CC[NH2+][C@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085674485 179111950 /nfs/dbraw/zinc/11/19/50/179111950.db2.gz AZMOLUOCRILPIY-QEJZJMRPSA-N 1 0 282.428 2.038 10 0 CEAERO COc1ccnc(NC(=O)[C@H](Cc2ccccc2)N(C)C)c1 ZINC000129241374 365839417 /nfs/dbraw/zinc/83/94/17/365839417.db2.gz KNHLDMSFRABSCY-HNNXBMFYSA-N 1 0 299.374 2.202 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000111265987 136561449 /nfs/dbraw/zinc/56/14/49/136561449.db2.gz UHPSGVLELPWUDA-CZUORRHYSA-N 1 0 287.407 2.471 10 0 CEAERO CN1CCN(CCCC[NH2+]C2CC2)c2ccccc21 ZINC000113550601 136568188 /nfs/dbraw/zinc/56/81/88/136568188.db2.gz PPXFCCCDUQDOBP-UHFFFAOYSA-N 1 0 259.397 2.475 10 0 CEAERO Cc1cccc(N2CCN(C[C@@H]3CCCC[NH2+]3)CC2)c1 ZINC000019502279 136577908 /nfs/dbraw/zinc/57/79/08/136577908.db2.gz MCCWOYNOSLAKOX-INIZCTEOSA-N 1 0 273.424 2.259 10 0 CEAERO CCCn1cc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)cn1 ZINC000128450339 187371670 /nfs/dbraw/zinc/37/16/70/187371670.db2.gz OCRCLLGYBJUDGX-CQSZACIVSA-N 1 0 273.384 2.016 10 0 CEAERO Cc1ccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)o1 ZINC000128462238 187371720 /nfs/dbraw/zinc/37/17/20/187371720.db2.gz ZZDZEFLOWFKJJW-ZDUSSCGKSA-N 1 0 260.341 2.092 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@@H](C)c1nc(C2CCCCC2)no1 ZINC000236905048 370650584 /nfs/dbraw/zinc/65/05/84/370650584.db2.gz KGLDHIMIEYIQRU-JQWIXIFHSA-N 1 0 294.399 2.422 10 0 CEAERO C[NH+](C)C[C@H](O)Cc1ccc(F)c(Br)c1 ZINC000085794011 179172291 /nfs/dbraw/zinc/17/22/91/179172291.db2.gz WNGAYVHSVMJDFE-SECBINFHSA-N 1 0 276.149 2.053 10 0 CEAERO C[NH2+][C@H](Cc1ccc(Br)s1)CN(C)C ZINC000085798881 179173193 /nfs/dbraw/zinc/17/31/93/179173193.db2.gz WTYJTPDIBNDZJP-MRVPVSSYSA-N 1 0 277.231 2.203 10 0 CEAERO CCOC(=O)c1ncc(CN2C[C@H]3CCC[C@H]32)s1 ZINC000602793339 347201023 /nfs/dbraw/zinc/20/10/23/347201023.db2.gz QJJXAESBOZMPPR-MWLCHTKSSA-N 1 0 266.366 2.304 10 0 CEAERO [NH3+][C@@]1(C(=O)Nc2ccccc2SC(F)F)CCOC1 ZINC000085867528 179192022 /nfs/dbraw/zinc/19/20/22/179192022.db2.gz AFPMWFXXSMLSNX-LBPRGKRZSA-N 1 0 288.319 2.058 10 0 CEAERO CC(C)(C)c1ccc(NC(=O)[C@]2([NH3+])CCOC2)cc1 ZINC000085867380 179192178 /nfs/dbraw/zinc/19/21/78/179192178.db2.gz OSZFUKFQVSMEQK-HNNXBMFYSA-N 1 0 262.353 2.040 10 0 CEAERO CC(C)(C)[C@@H](NC(=O)[C@]1([NH3+])CCOC1)c1ccccc1 ZINC000085871708 179193036 /nfs/dbraw/zinc/19/30/36/179193036.db2.gz FYYIRMIRZGRHNB-BBRMVZONSA-N 1 0 276.380 2.008 10 0 CEAERO CC(C)C[C@H](NC(=O)[C@@]1([NH3+])CCOC1)c1ccccc1 ZINC000085872142 179193533 /nfs/dbraw/zinc/19/35/33/179193533.db2.gz WDOMSUFMCRWZAX-GOEBONIOSA-N 1 0 276.380 2.008 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1CNC(=O)Nc1ccccc1F ZINC000085969933 179206586 /nfs/dbraw/zinc/20/65/86/179206586.db2.gz CNASACIIEFXNDG-ZYHUDNBSSA-N 1 0 265.332 2.465 10 0 CEAERO [NH3+]CC[C@@H](O)c1cc(Br)c(Br)o1 ZINC000085914323 179198145 /nfs/dbraw/zinc/19/81/45/179198145.db2.gz XFACHKFILLFSMY-RXMQYKEDSA-N 1 0 298.962 2.187 10 0 CEAERO [NH3+]CC1([C@H](O)c2ccc(Cl)s2)CCOCC1 ZINC000085916459 179198965 /nfs/dbraw/zinc/19/89/65/179198965.db2.gz ZHPXFJOVAXXAID-SNVBAGLBSA-N 1 0 261.774 2.190 10 0 CEAERO CCC[NH2+][C@H](CCO)CN(C)Cc1ccc(F)cc1 ZINC000085921965 179200466 /nfs/dbraw/zinc/20/04/66/179200466.db2.gz KWLPZKPFRQERJH-OAHLLOKOSA-N 1 0 268.376 2.008 10 0 CEAERO CCC[NH2+][C@H](CCO)CN(C)Cc1ccccc1C ZINC000085921935 179200753 /nfs/dbraw/zinc/20/07/53/179200753.db2.gz TXHQHABTHMWIIS-MRXNPFEDSA-N 1 0 264.413 2.177 10 0 CEAERO CCC[NH2+][C@@H](CCO)CN1CC[C@@H]2CCCC[C@@H]2C1 ZINC000085921829 179200834 /nfs/dbraw/zinc/20/08/34/179200834.db2.gz QLVRECYGURTQMV-XHSDSOJGSA-N 1 0 268.445 2.249 10 0 CEAERO CCC[NH2+][C@H](CCO)C[S@@](=O)c1ccc(Cl)cc1 ZINC000085926164 179202117 /nfs/dbraw/zinc/20/21/17/179202117.db2.gz AXWZZXCEPTUQLL-XIKOKIGWSA-N 1 0 289.828 2.198 10 0 CEAERO CCC[NH2+][C@@H](CCO)C[S@@](=O)c1ccc(C)cc1C ZINC000085926652 179202186 /nfs/dbraw/zinc/20/21/86/179202186.db2.gz GFYZKQBJQSZKSU-LIRRHRJNSA-N 1 0 283.437 2.162 10 0 CEAERO CCC[NH2+][C@H](CCO)C[S@@](=O)c1cc(C)ccc1C ZINC000085926582 179202287 /nfs/dbraw/zinc/20/22/87/179202287.db2.gz GHJSCKFMJOKAFB-KUHUBIRLSA-N 1 0 283.437 2.162 10 0 CEAERO CC[NH2+][C@H](CCO)COc1ccc(Cl)c(C)c1 ZINC000085926832 179202465 /nfs/dbraw/zinc/20/24/65/179202465.db2.gz RLHOSRCJUJGYMI-LLVKDONJSA-N 1 0 257.761 2.388 10 0 CEAERO C[NH2+][C@@H](c1ccc2c(c1)CCCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000086020325 179217926 /nfs/dbraw/zinc/21/79/26/179217926.db2.gz SYLYDXMIMIFCAT-CVEARBPZSA-N 1 0 293.432 2.261 10 0 CEAERO O=C(C[NH2+]C[C@H]1CCCC[C@@H]1O)Nc1ccc(Cl)cc1 ZINC000085987018 179212110 /nfs/dbraw/zinc/21/21/10/179212110.db2.gz FVTNMHFTFZOIBA-RISCZKNCSA-N 1 0 296.798 2.419 10 0 CEAERO O=C(C[NH2+]C[C@@H]1CCCC[C@@H]1O)Nc1c(F)cccc1F ZINC000085986707 179212547 /nfs/dbraw/zinc/21/25/47/179212547.db2.gz IFHWSBJYXWQYDL-GWCFXTLKSA-N 1 0 298.333 2.044 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CC[C@@H]1Sc1ccc(S(C)(=O)=O)cc1 ZINC000086046109 179222825 /nfs/dbraw/zinc/22/28/25/179222825.db2.gz VSOVSPUAKIPZEU-ICCXJUOJSA-N 1 0 285.434 2.308 10 0 CEAERO C[C@@H]1CC[C@H](NC(=O)COc2ccc(C[NH3+])cc2)[C@@H]1C ZINC000086068822 179224444 /nfs/dbraw/zinc/22/44/44/179224444.db2.gz ISQUFRSWCDTCMP-JMSVASOKSA-N 1 0 276.380 2.075 10 0 CEAERO C[C@@H]1CC[C@H](NC(=O)CCC2CC[NH2+]CC2)[C@@H]1C ZINC000086076018 179225612 /nfs/dbraw/zinc/22/56/12/179225612.db2.gz YYMNRCHPDORAGP-BZPMIXESSA-N 1 0 252.402 2.317 10 0 CEAERO C[C@H]1[C@H](NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC[C@@H]1C ZINC000086075944 179225812 /nfs/dbraw/zinc/22/58/12/179225812.db2.gz BPGHXTITUGMJOX-OJDYBEQGSA-N 1 0 272.392 2.252 10 0 CEAERO CC[NH2+][C@@H](c1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000086021229 179218880 /nfs/dbraw/zinc/21/88/80/179218880.db2.gz FNTQKKQOKGQCGX-LDYMZIIASA-N 1 0 293.841 2.487 10 0 CEAERO C1CCC([C@@H]2CN(C3CCOCC3)CC[NH2+]2)CC1 ZINC000086128109 179236159 /nfs/dbraw/zinc/23/61/59/179236159.db2.gz VCSNIKKVLCRFHE-HNNXBMFYSA-N 1 0 252.402 2.020 10 0 CEAERO Cc1nn(Cc2cc(N)cc[nH+]2)c(C)c1Br ZINC000086134779 179236230 /nfs/dbraw/zinc/23/62/30/179236230.db2.gz YSGGEICXPHIBLR-UHFFFAOYSA-N 1 0 281.157 2.288 10 0 CEAERO c1ccc([C@H]2C[N@H+](CCc3cccnc3)CCN2)cc1 ZINC000086141953 179236370 /nfs/dbraw/zinc/23/63/70/179236370.db2.gz CNLGCVDDWZHIPP-QGZVFWFLSA-N 1 0 267.376 2.271 10 0 CEAERO CCC1(CC)CN(Cc2nc(C)cs2)CC[NH2+]1 ZINC000086144328 179237373 /nfs/dbraw/zinc/23/73/73/179237373.db2.gz DAPAAAASMWBMPU-UHFFFAOYSA-N 1 0 253.415 2.416 10 0 CEAERO c1csc(CN2CC[NH2+][C@H](C3CCCCC3)C2)n1 ZINC000086144191 179237961 /nfs/dbraw/zinc/23/79/61/179237961.db2.gz AAVBRVMUMYJOTF-ZDUSSCGKSA-N 1 0 265.426 2.497 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)Nc2ccc(Br)cc2)C1 ZINC000086089437 179228799 /nfs/dbraw/zinc/22/87/99/179228799.db2.gz JQHNJQXTQGCMGW-WCBMZHEXSA-N 1 0 281.153 2.291 10 0 CEAERO CC[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(C[NH3+])cc2)[C@@H]1C ZINC000086091554 179229041 /nfs/dbraw/zinc/22/90/41/179229041.db2.gz LQSCYJZJRGZRDW-OSAQELSMSA-N 1 0 296.436 2.248 10 0 CEAERO CC[C@H](C)[C@H]1CN(c2cnn(C(C)C)c2)CC[NH2+]1 ZINC000086148268 179239973 /nfs/dbraw/zinc/23/99/73/179239973.db2.gz SDRLGHDHAQYVDY-GXTWGEPZSA-N 1 0 250.390 2.288 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C)CN1CCc1ccc(OC)c(OC)c1 ZINC000086152078 179240349 /nfs/dbraw/zinc/24/03/49/179240349.db2.gz FNXDJZCNROJWDK-ZFWWWQNUSA-N 1 0 292.423 2.319 10 0 CEAERO COCC[C@@H](C)[N@@H+]1CCN[C@@](C)(c2ccccc2)C1 ZINC000086150655 179240474 /nfs/dbraw/zinc/24/04/74/179240474.db2.gz LYKXBDIZBGCPBZ-GDBMZVCRSA-N 1 0 262.397 2.232 10 0 CEAERO Cc1cccnc1CN1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC000086149196 179240584 /nfs/dbraw/zinc/24/05/84/179240584.db2.gz IPKZLVDGIDOLFF-QGZVFWFLSA-N 1 0 281.403 2.407 10 0 CEAERO Cc1cccnc1CN1CC[NH2+]C2(CCCCC2)C1 ZINC000086149172 179240623 /nfs/dbraw/zinc/24/06/23/179240623.db2.gz ZOLLWVRIIFCEAE-UHFFFAOYSA-N 1 0 259.397 2.498 10 0 CEAERO CCC[C@@H]1CN(CCOC2CCCCC2)CC[NH2+]1 ZINC000086149570 179240892 /nfs/dbraw/zinc/24/08/92/179240892.db2.gz WSSOALIGFSABRF-CQSZACIVSA-N 1 0 254.418 2.410 10 0 CEAERO CCOC[C@H](C)[N@@H+]1C[C@H](C(C)C)NC[C@@H]1C(C)C ZINC000086173886 179245010 /nfs/dbraw/zinc/24/50/10/179245010.db2.gz SLCCKLDHKDNUOP-RRFJBIMHSA-N 1 0 256.434 2.366 10 0 CEAERO CC[C@H]1CN[C@@H](C(C)C)C[N@@H+]1C[C@@H]1CCCOC1 ZINC000086173980 179245020 /nfs/dbraw/zinc/24/50/20/179245020.db2.gz ZOHOJESINVKSDD-SOUVJXGZSA-N 1 0 254.418 2.121 10 0 CEAERO Cc1cc(CN2C[C@H](Cc3ccccc3)[NH2+]C[C@@H]2C)on1 ZINC000086174083 179245681 /nfs/dbraw/zinc/24/56/81/179245681.db2.gz VVNSDNDSMVCOST-HOCLYGCPSA-N 1 0 285.391 2.388 10 0 CEAERO C1=C[C@@H]([N@@H+]2CC[C@H](N3CCOCC3)C2)CCCCC1 ZINC000606432035 347471456 /nfs/dbraw/zinc/47/14/56/347471456.db2.gz PGDCOUZNZRTYST-CVEARBPZSA-N 1 0 264.413 2.282 10 0 CEAERO CC(C)[C@H]1C[NH2+]CCN1CCc1cc(F)cc(F)c1 ZINC000086177714 179246700 /nfs/dbraw/zinc/24/67/00/179246700.db2.gz JTJHPFHJBHXSRS-OAHLLOKOSA-N 1 0 268.351 2.437 10 0 CEAERO COC[C@H](C)N1CC(C)(C)[NH2+]C[C@@H]1c1ccccc1 ZINC000086179878 179246917 /nfs/dbraw/zinc/24/69/17/179246917.db2.gz HUQORAVSAULMOV-DZGCQCFKSA-N 1 0 262.397 2.446 10 0 CEAERO CC(C)[C@H]1CNCC[N@@H+]1[C@@H]1CCc2ccccc2C1 ZINC000086177664 179246972 /nfs/dbraw/zinc/24/69/72/179246972.db2.gz DATGBWKNOOKLLI-IAGOWNOFSA-N 1 0 258.409 2.474 10 0 CEAERO C[C@@]1(c2ccccc2)C[N@H+](C[C@@H]2CCCOC2)CCN1 ZINC000086146231 179238914 /nfs/dbraw/zinc/23/89/14/179238914.db2.gz IPQUXDNUXRKWDI-RDJZCZTQSA-N 1 0 274.408 2.234 10 0 CEAERO Cc1cc(CN2CC[NH2+][C@](C)(c3ccccc3)C2)on1 ZINC000086146366 179239127 /nfs/dbraw/zinc/23/91/27/179239127.db2.gz HLSTUTCJSYZOPH-INIZCTEOSA-N 1 0 271.364 2.304 10 0 CEAERO CC(C)C[C@@H]1CN(Cc2ccc3c(c2)OCO3)CC[NH2+]1 ZINC000086148243 179239846 /nfs/dbraw/zinc/23/98/46/179239846.db2.gz CHJUDLWAGRLCSS-CQSZACIVSA-N 1 0 276.380 2.235 10 0 CEAERO C[C@@H]1C[NH2+][C@H](C2CC2)CN1CCc1cccc(F)c1 ZINC000086218738 179251110 /nfs/dbraw/zinc/25/11/10/179251110.db2.gz SSJWNKAEYCUUIB-WBMJQRKESA-N 1 0 262.372 2.441 10 0 CEAERO CC(C)[C@H]1C[NH2+][C@@H](C2CC2)CN1CCc1cccnc1 ZINC000086223219 179251995 /nfs/dbraw/zinc/25/19/95/179251995.db2.gz LBXYTGRKAMITLZ-IAGOWNOFSA-N 1 0 273.424 2.333 10 0 CEAERO CC(C)[C@@H]1C[NH2+]C(C)(C)CN1CCc1cccnc1 ZINC000086223222 179252182 /nfs/dbraw/zinc/25/21/82/179252182.db2.gz VMMLVYSDNLBXJT-HNNXBMFYSA-N 1 0 261.413 2.333 10 0 CEAERO CC[C@@H]1C[NH2+][C@@](C)(CC)CN1CCc1cccnc1 ZINC000086223234 179252366 /nfs/dbraw/zinc/25/23/66/179252366.db2.gz DELDSZGGIYSLIO-CVEARBPZSA-N 1 0 261.413 2.477 10 0 CEAERO CC(C)[C@H]1C[NH2+][C@H](C2CC2)CN1Cc1nccs1 ZINC000086226833 179252838 /nfs/dbraw/zinc/25/28/38/179252838.db2.gz XJDYMHGCMDQCOY-QWHCGFSZSA-N 1 0 265.426 2.352 10 0 CEAERO CC[C@H]1C[NH2+]C2(CCCC2)CN1Cc1cnc(C)cn1 ZINC000086263096 179259768 /nfs/dbraw/zinc/25/97/68/179259768.db2.gz WPWYPRDLIYXAFV-HNNXBMFYSA-N 1 0 274.412 2.282 10 0 CEAERO COC[C@H](C)C[N@@H+]1C[C@](C)(c2ccccc2)NC[C@@H]1C ZINC000086260992 179260199 /nfs/dbraw/zinc/26/01/99/179260199.db2.gz OSDQBYJCOOZHDG-HLLBOEOZSA-N 1 0 276.424 2.478 10 0 CEAERO Cn1ccnc1CN1CC(C)(C)[NH2+]C[C@H]1c1ccccc1 ZINC000086264789 179260977 /nfs/dbraw/zinc/26/09/77/179260977.db2.gz BESGHSLKGQQQBZ-HNNXBMFYSA-N 1 0 284.407 2.345 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C2CC2)CN1Cc1ccc(C)nc1 ZINC000086263761 179261352 /nfs/dbraw/zinc/26/13/52/179261352.db2.gz TVSWBBRMAGGHAX-CVEARBPZSA-N 1 0 259.397 2.352 10 0 CEAERO CC[C@H]1C[NH2+]C(C)(C)CN1Cc1ccc(OC)nc1 ZINC000086263954 179261403 /nfs/dbraw/zinc/26/14/03/179261403.db2.gz AHFAMWMCRLVWMB-ZDUSSCGKSA-N 1 0 263.385 2.053 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C2CC2)CN1Cc1ccc(OC)nc1 ZINC000086263915 179261423 /nfs/dbraw/zinc/26/14/23/179261423.db2.gz NRMUZJJHPZQBJL-HUUCEWRRSA-N 1 0 275.396 2.053 10 0 CEAERO CC[C@H]1C[NH2+]C(C)(C)CN1CCOC1CCCC1 ZINC000086265722 179261676 /nfs/dbraw/zinc/26/16/76/179261676.db2.gz HDDLJQFLYIFGFX-ZDUSSCGKSA-N 1 0 254.418 2.408 10 0 CEAERO CC[C@@H](COC)[N@@H+]1C[C@H](C2CC2)NC[C@@H]1C(C)C ZINC000086267461 179261902 /nfs/dbraw/zinc/26/19/02/179261902.db2.gz YQNQGYWAWNLUAU-RRFJBIMHSA-N 1 0 254.418 2.120 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@@H](C2CC2)CN1Cc1cscn1 ZINC000086265439 179261978 /nfs/dbraw/zinc/26/19/78/179261978.db2.gz JGLLWTHKNOIQKM-KGLIPLIRSA-N 1 0 265.426 2.352 10 0 CEAERO C[C@@H]1C[NH2+][C@H](C2CC2)CN1CCOC1CCCC1 ZINC000086265707 179262349 /nfs/dbraw/zinc/26/23/49/179262349.db2.gz MACSWUXNACLEAS-DOMZBBRYSA-N 1 0 252.402 2.018 10 0 CEAERO CCCN(c1nc(Br)cs1)[C@@H]1CC[NH2+]C1 ZINC000086290797 179265137 /nfs/dbraw/zinc/26/51/37/179265137.db2.gz YBXSBWIZVYHAQN-MRVPVSSYSA-N 1 0 290.230 2.484 10 0 CEAERO C[N@@H+]1CC[C@H](CNc2nc(Br)cs2)C1 ZINC000086278952 179262740 /nfs/dbraw/zinc/26/27/40/179262740.db2.gz BRAVTDLNADEYIU-SSDOTTSWSA-N 1 0 276.203 2.269 10 0 CEAERO C[N@@H+]1CC[C@@H](CNc2nc(Br)cs2)C1 ZINC000086278954 179263021 /nfs/dbraw/zinc/26/30/21/179263021.db2.gz BRAVTDLNADEYIU-ZETCQYMHSA-N 1 0 276.203 2.269 10 0 CEAERO Cc1csc(CN2CCC[NH2+][C@@H](C(C)C)C2)n1 ZINC000086290071 179264091 /nfs/dbraw/zinc/26/40/91/179264091.db2.gz NORLJOFPOWBVIW-GFCCVEGCSA-N 1 0 253.415 2.271 10 0 CEAERO CC(C)C[C@@H]1CN(CCc2ccncc2)CCC[NH2+]1 ZINC000086288755 179264330 /nfs/dbraw/zinc/26/43/30/179264330.db2.gz NPMOCIFABUKUTC-MRXNPFEDSA-N 1 0 261.413 2.334 10 0 CEAERO C[C@@H]1CC[C@H](C[NH3+])CN1c1nc(Br)cs1 ZINC000086290923 179265336 /nfs/dbraw/zinc/26/53/36/179265336.db2.gz WKQXYAVYHXRBNT-HTQZYQBOSA-N 1 0 290.230 2.469 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1Oc1nc(Br)cs1 ZINC000086291774 179266472 /nfs/dbraw/zinc/26/64/72/179266472.db2.gz MKPMKPQGRDYNLY-RNFRBKRXSA-N 1 0 277.187 2.412 10 0 CEAERO CC(C)(C)[C@@H]1C[N@H+](C[C@@H]2CCCOC2)CCCN1 ZINC000086292483 179266759 /nfs/dbraw/zinc/26/67/59/179266759.db2.gz IINTYZJAQGLXCT-KBPBESRZSA-N 1 0 254.418 2.123 10 0 CEAERO COC[C@H](C)C[N@@H+]1CCCN[C@@](C)(c2ccccc2)C1 ZINC000086293233 179266905 /nfs/dbraw/zinc/26/69/05/179266905.db2.gz JLHFXTJTIKFNSC-NVXWUHKLSA-N 1 0 276.424 2.480 10 0 CEAERO C[N@H+](C[C@H](O)CN1CCCC[C@H]1c1nccs1)C1CC1 ZINC000336836041 365905622 /nfs/dbraw/zinc/90/56/22/365905622.db2.gz KHNNBIKUMXLIQB-KBPBESRZSA-N 1 0 295.452 2.125 10 0 CEAERO Cc1csc(CCN2CCC[NH2+][C@@](C)(C3CC3)C2)n1 ZINC000086296782 179267395 /nfs/dbraw/zinc/26/73/95/179267395.db2.gz JZXGQIDBIWAFQB-OAHLLOKOSA-N 1 0 279.453 2.458 10 0 CEAERO [NH3+]CCCN(C(=O)c1ccncc1F)c1ccccc1 ZINC000086315795 179268638 /nfs/dbraw/zinc/26/86/38/179268638.db2.gz OWBWXWUWTCRIRI-UHFFFAOYSA-N 1 0 273.311 2.216 10 0 CEAERO [NH3+]CCCN(C(=O)c1ccncc1F)c1ccc(F)cc1 ZINC000086315800 179268680 /nfs/dbraw/zinc/26/86/80/179268680.db2.gz OZZRSUQKZYYKFH-UHFFFAOYSA-N 1 0 291.301 2.355 10 0 CEAERO C(CN1CCC[NH2+][C@@H](C2CC2)C1)OC1CCCC1 ZINC000086298020 179268712 /nfs/dbraw/zinc/26/87/12/179268712.db2.gz SNYULSVKNOAUDA-OAHLLOKOSA-N 1 0 252.402 2.020 10 0 CEAERO CCc1ccc([C@H](C)[NH2+]CCN2C(=O)CCC2=O)cc1 ZINC000129944299 365910720 /nfs/dbraw/zinc/91/07/20/365910720.db2.gz IVRMSZWANONZSX-LBPRGKRZSA-N 1 0 274.364 2.049 10 0 CEAERO [NH3+]C[C@@H](c1cc(Cl)cs1)N1CCCOCC1 ZINC000086333329 179273384 /nfs/dbraw/zinc/27/33/84/179273384.db2.gz UTZNZUDJQMAYDH-JTQLQIEISA-N 1 0 260.790 2.124 10 0 CEAERO CCc1nn(CC)c(CC2(C)C[NH2+]C2)c1Br ZINC000086395256 179285403 /nfs/dbraw/zinc/28/54/03/179285403.db2.gz RBJFTBTZBTVBKY-UHFFFAOYSA-N 1 0 286.217 2.380 10 0 CEAERO O=C1CCCc2sc(N3CC[C@H]([NH+]4CCCC4)C3)nc21 ZINC000086441798 179294109 /nfs/dbraw/zinc/29/41/09/179294109.db2.gz IVUHTTSZTWJLSP-NSHDSACASA-N 1 0 291.420 2.337 10 0 CEAERO CN(C[C@@H]1CCCCO1)c1nc2c(s1)CCC[C@@H]2[NH3+] ZINC000086443254 179294211 /nfs/dbraw/zinc/29/42/11/179294211.db2.gz LBRUPAGARYXQFC-QWRGUYRKSA-N 1 0 281.425 2.485 10 0 CEAERO CC[C@@H]1CN(C(=O)c2cccc(N(C)C)c2)[C@H](CC)C[NH2+]1 ZINC000086446363 179294588 /nfs/dbraw/zinc/29/45/88/179294588.db2.gz LQQAAHDXYRUFBR-HUUCEWRRSA-N 1 0 289.423 2.355 10 0 CEAERO C[NH+](C)CC1CCN(c2nc3c(s2)CCC[C@@H]3O)CC1 ZINC000086444575 179294827 /nfs/dbraw/zinc/29/48/27/179294827.db2.gz NCSNSKIWCPTLIN-LBPRGKRZSA-N 1 0 295.452 2.291 10 0 CEAERO CC[C@H]1C[N@@H+](C2CCC3(CC2)OCCO3)[C@@H](CC)CN1 ZINC000086445155 179295076 /nfs/dbraw/zinc/29/50/76/179295076.db2.gz RSTPQNJIIFSOBO-KBPBESRZSA-N 1 0 282.428 2.135 10 0 CEAERO [NH3+][C@H]1COC[C@H]1c1nc2ccc(Br)cc2s1 ZINC000086479300 179300521 /nfs/dbraw/zinc/30/05/21/179300521.db2.gz NZARRPHTFJZGSE-SFYZADRCSA-N 1 0 299.193 2.500 10 0 CEAERO CSCC[C@H]1C[NH+]=C(N)N1Cc1cccs1 ZINC000086474721 179300675 /nfs/dbraw/zinc/30/06/75/179300675.db2.gz FHWWBRVOKDNRNM-VIFPVBQESA-N 1 0 255.412 2.000 10 0 CEAERO FC(F)(F)[C@@]1(c2nc(C3CCC3)no2)CC[NH2+]C1 ZINC000086486132 179301600 /nfs/dbraw/zinc/30/16/00/179301600.db2.gz QGWTYFVCCWTTPT-JTQLQIEISA-N 1 0 261.247 2.131 10 0 CEAERO FC(F)(F)[C@]1(c2nc(C3CCC3)no2)CC[NH2+]C1 ZINC000086486134 179301760 /nfs/dbraw/zinc/30/17/60/179301760.db2.gz QGWTYFVCCWTTPT-SNVBAGLBSA-N 1 0 261.247 2.131 10 0 CEAERO CCC[C@@H]([NH3+])Cc1nc([C@@H]2Cc3ccccc32)no1 ZINC000086492005 179302344 /nfs/dbraw/zinc/30/23/44/179302344.db2.gz DOMLQMYFJVIZJY-DGCLKSJQSA-N 1 0 257.337 2.428 10 0 CEAERO CCc1c(C)nc([C@H]2Cc3ccccc32)[nH+]c1NN ZINC000086490637 179302354 /nfs/dbraw/zinc/30/23/54/179302354.db2.gz LQQTZGQIXIYVGL-ZDUSSCGKSA-N 1 0 254.337 2.321 10 0 CEAERO C[C@@H]([NH2+]CC(C)(C)S(C)(=O)=O)c1cccs1 ZINC000086503450 179303361 /nfs/dbraw/zinc/30/33/61/179303361.db2.gz UDOUOUXZDRTLHG-SECBINFHSA-N 1 0 261.412 2.222 10 0 CEAERO CC[C@](C)(CO)[NH2+]Cc1cc2c(cc1SC)OCCO2 ZINC000086506910 179303454 /nfs/dbraw/zinc/30/34/54/179303454.db2.gz DQSZELKQTCTGNW-OAHLLOKOSA-N 1 0 297.420 2.430 10 0 CEAERO C[NH2+][C@@H](Cc1sccc1Br)C(OC)OC ZINC000086452088 179296315 /nfs/dbraw/zinc/29/63/15/179296315.db2.gz YEBBUEHZQBOEJH-QMMMGPOBSA-N 1 0 294.214 2.260 10 0 CEAERO C[C@@H](c1nc2ccccc2n1C)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000086466643 179297000 /nfs/dbraw/zinc/29/70/00/179297000.db2.gz ODNDLJKADYNJPE-AGIUHOORSA-N 1 0 272.396 2.317 10 0 CEAERO CC(C)C[NH2+]CC1(S(C)(=O)=O)CC(C(C)C)C1 ZINC000086558149 179307648 /nfs/dbraw/zinc/30/76/48/179307648.db2.gz PFPSAJVXMROORG-UHFFFAOYSA-N 1 0 261.431 2.081 10 0 CEAERO [NH3+]C[C@](O)(c1cscc1Br)C(F)(F)F ZINC000086557037 179308106 /nfs/dbraw/zinc/30/81/06/179308106.db2.gz ULRDZJIPUGWZSI-LURJTMIESA-N 1 0 290.104 2.219 10 0 CEAERO CO[C@H](C)[C@@H]([NH3+])Cc1ccc(F)c(Br)c1 ZINC000086576149 179308794 /nfs/dbraw/zinc/30/87/94/179308794.db2.gz CBTBFBJORARQRF-HQJQHLMTSA-N 1 0 276.149 2.493 10 0 CEAERO CCC(CC)(CC)NS(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000086642854 179315979 /nfs/dbraw/zinc/31/59/79/179315979.db2.gz LXAJRAUWBFVBHU-UHFFFAOYSA-N 1 0 284.425 2.392 10 0 CEAERO [NH3+][C@H](Cc1cc(F)cc(Br)c1)[C@@H]1CCOC1 ZINC000086696344 179320663 /nfs/dbraw/zinc/32/06/63/179320663.db2.gz DPCCEXIGQHSXOG-BXKDBHETSA-N 1 0 288.160 2.495 10 0 CEAERO CC[NH2+][C@@H]1CCOC[C@H]1Sc1nc(C)c(C)c(C)n1 ZINC000086646621 179316434 /nfs/dbraw/zinc/31/64/34/179316434.db2.gz YLKCIJBUWWPJLL-CHWSQXEVSA-N 1 0 281.425 2.261 10 0 CEAERO C[C@](O)([C@H]1CCC[NH2+]C1)[C@@H]1CCc2ccccc2N1 ZINC000086666869 179317371 /nfs/dbraw/zinc/31/73/71/179317371.db2.gz COEWVRWPCUWVSH-BPUTZDHNSA-N 1 0 260.381 2.164 10 0 CEAERO c1ccc2c(c1)OC[C@@H]2N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130229790 365935429 /nfs/dbraw/zinc/93/54/29/365935429.db2.gz OQKDNFXVWXNZBB-NFAWXSAZSA-N 1 0 258.365 2.337 10 0 CEAERO CS(=O)(=O)[C@H]1CCC[C@H]1[NH2+]CCCc1ccccc1 ZINC000086671060 179317831 /nfs/dbraw/zinc/31/78/31/179317831.db2.gz ZHHZOEDFBNLKQG-CABCVRRESA-N 1 0 281.421 2.175 10 0 CEAERO Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2S(C)(=O)=O)s1 ZINC000086675782 179318383 /nfs/dbraw/zinc/31/83/83/179318383.db2.gz QHPYBLPFTQUGJD-VXGBXAGGSA-N 1 0 273.423 2.112 10 0 CEAERO Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2S(C)(=O)=O)s1 ZINC000086675781 179318614 /nfs/dbraw/zinc/31/86/14/179318614.db2.gz QHPYBLPFTQUGJD-RYUDHWBXSA-N 1 0 273.423 2.112 10 0 CEAERO Cc1[nH]c2ccc(N[C@@H]3CCC[C@H]3S(C)(=O)=O)cc2[nH+]1 ZINC000086674537 179318792 /nfs/dbraw/zinc/31/87/92/179318792.db2.gz HNHSHKQSVQILDQ-TZMCWYRMSA-N 1 0 293.392 2.249 10 0 CEAERO C([NH2+]C1CCN(c2nc(C3CC3)ns2)CC1)C1CC1 ZINC000130256940 365937859 /nfs/dbraw/zinc/93/78/59/365937859.db2.gz AGZBUAKUBZDYNS-UHFFFAOYSA-N 1 0 278.425 2.384 10 0 CEAERO CC1CCC(C[NH2+][C@H]2CCC[C@@H]2S(C)(=O)=O)CC1 ZINC000086676035 179319146 /nfs/dbraw/zinc/31/91/46/179319146.db2.gz PKDFQGPHXFXTCH-HOAMVYINSA-N 1 0 273.442 2.368 10 0 CEAERO CCC1CCC(C[NH3+])(OCC(=O)N(CC)C2CC2)CC1 ZINC000086713189 179322721 /nfs/dbraw/zinc/32/27/21/179322721.db2.gz OOJGJMJHXBJKHC-UHFFFAOYSA-N 1 0 282.428 2.312 10 0 CEAERO CCOC(=O)CC[NH2+]Cc1cn(C)c2ccccc12 ZINC000086806703 179339193 /nfs/dbraw/zinc/33/91/93/179339193.db2.gz BSZWRLYQCZBZGZ-UHFFFAOYSA-N 1 0 260.337 2.221 10 0 CEAERO COc1ccc(CN[C@@H]2CCC[N@H+](C)CC2)c(OC)c1 ZINC000086819124 179348022 /nfs/dbraw/zinc/34/80/22/179348022.db2.gz JUVQARXZOUCVGJ-CQSZACIVSA-N 1 0 278.396 2.278 10 0 CEAERO C[N@@H+]1CCC[C@@](Nc2ccccc2Cl)(C(N)=O)CC1 ZINC000086819736 179348198 /nfs/dbraw/zinc/34/81/98/179348198.db2.gz BJCHLULUORLWGP-AWEZNQCLSA-N 1 0 281.787 2.092 10 0 CEAERO COC(=O)[C@@]1(NC2CCCCCC2)CCC[N@H+](C)CC1 ZINC000086833414 179349761 /nfs/dbraw/zinc/34/97/61/179349761.db2.gz GJWVOXJZQLBGJB-MRXNPFEDSA-N 1 0 282.428 2.326 10 0 CEAERO CCC1(C(=O)[O-])CC[NH+]([C@@H]2CCC[N@H+](C)CC2)CC1 ZINC000086834600 179349846 /nfs/dbraw/zinc/34/98/46/179349846.db2.gz DXTGNAOBFKJCKY-CYBMUJFWSA-N 1 0 268.401 2.048 10 0 CEAERO COc1ccc([C@@]2(O)CCC[N@H+](C)CC2)cc1F ZINC000086834055 179350298 /nfs/dbraw/zinc/35/02/98/179350298.db2.gz YMMSZKWVMZZOKH-CQSZACIVSA-N 1 0 253.317 2.138 10 0 CEAERO CCC[N@@H+]1CCC[C@](NCC(C)C)(C(=O)OC)CC1 ZINC000086850279 179357655 /nfs/dbraw/zinc/35/76/55/179357655.db2.gz LIRKOTMOIHMLCJ-OAHLLOKOSA-N 1 0 270.417 2.040 10 0 CEAERO CC[N@@H+]1CCC[C@H](N[C@@H](C)c2nnc3ccccn32)CC1 ZINC000086838191 179351474 /nfs/dbraw/zinc/35/14/74/179351474.db2.gz YJMOMLYSFXLSTQ-KBPBESRZSA-N 1 0 287.411 2.254 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2ccc(CC(=O)NC)cc2)CC1 ZINC000086838751 179351566 /nfs/dbraw/zinc/35/15/66/179351566.db2.gz ANNXZMYEDRZWGT-OAHLLOKOSA-N 1 0 289.423 2.261 10 0 CEAERO COc1cc(CN[C@H]2CCC[N@@H+](C(C)C)CC2)ccn1 ZINC000086844663 179355504 /nfs/dbraw/zinc/35/55/04/179355504.db2.gz XOIDQTVVXQAXNV-HNNXBMFYSA-N 1 0 277.412 2.443 10 0 CEAERO CC[N@@H+]1CCC[C@@](CO)(Nc2ccc(F)cc2)CC1 ZINC000086868021 179360501 /nfs/dbraw/zinc/36/05/01/179360501.db2.gz MMAKADPFLXVNTE-OAHLLOKOSA-N 1 0 266.360 2.475 10 0 CEAERO CC[N@H+]([C@@H]1CCC[NH+](CC)CC1)C(C)(C)C(=O)[O-] ZINC000086868919 179361530 /nfs/dbraw/zinc/36/15/30/179361530.db2.gz PYDTVVHSUVVUKU-GFCCVEGCSA-N 1 0 256.390 2.046 10 0 CEAERO CC[N@@H+]1CCC[C@@H]([NH+]2CCC(CC)(C(=O)[O-])CC2)CC1 ZINC000086869172 179362708 /nfs/dbraw/zinc/36/27/08/179362708.db2.gz XFKSXOYBNQIIEB-CQSZACIVSA-N 1 0 282.428 2.438 10 0 CEAERO CCOC(=O)[C@@]1(N[C@@H](C)CC)CCC[N@H+](CC)CC1 ZINC000086850534 179358260 /nfs/dbraw/zinc/35/82/60/179358260.db2.gz YSBOUCOXYFQKBL-DZGCQCFKSA-N 1 0 270.417 2.182 10 0 CEAERO CCOC(=O)[C@@]1(NCC(C)C)CCC[N@@H+](C(C)C)CC1 ZINC000086850288 179358396 /nfs/dbraw/zinc/35/83/96/179358396.db2.gz DLNQGQSUQQGXAW-MRXNPFEDSA-N 1 0 284.444 2.428 10 0 CEAERO COCCN[C@]1(c2nccs2)CCC[N@@H+](C(C)C)CC1 ZINC000086851702 179359268 /nfs/dbraw/zinc/35/92/68/179359268.db2.gz KJXYCTHFUMGSEJ-OAHLLOKOSA-N 1 0 297.468 2.469 10 0 CEAERO CC(C)[N@@H+]1CCC[C@@](N)(c2noc(C(C)(C)C)n2)CC1 ZINC000086851774 179359314 /nfs/dbraw/zinc/35/93/14/179359314.db2.gz FCIKISYOBYYGQY-HNNXBMFYSA-N 1 0 280.416 2.415 10 0 CEAERO CC[C@@H]1CCCC[C@]1([NH3+])CCCS(=O)(=O)CC ZINC000086977457 179372606 /nfs/dbraw/zinc/37/26/06/179372606.db2.gz CGKKJWUCCVHRMZ-OLZOCXBDSA-N 1 0 261.431 2.499 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH3+])c1ccc(F)cc1 ZINC000086978469 179372612 /nfs/dbraw/zinc/37/26/12/179372612.db2.gz YBOCAESUCJPSNW-GFCCVEGCSA-N 1 0 259.346 2.040 10 0 CEAERO CCC[NH2+][C@H](CCCS(=O)(=O)CC)c1cccnc1 ZINC000086978760 179372745 /nfs/dbraw/zinc/37/27/45/179372745.db2.gz AKBXOWSHCVJNND-CQSZACIVSA-N 1 0 284.425 2.337 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH3+])C1(c2ccccc2)CC1 ZINC000086979564 179373055 /nfs/dbraw/zinc/37/30/55/179373055.db2.gz ANHRDGLFSFSFIO-CQSZACIVSA-N 1 0 281.421 2.260 10 0 CEAERO CCS(=O)(=O)CCCn1ccc2cc(C[NH2+]C)ccc21 ZINC000086981654 179373165 /nfs/dbraw/zinc/37/31/65/179373165.db2.gz PKJCCZOLCDLQKQ-UHFFFAOYSA-N 1 0 294.420 2.186 10 0 CEAERO CCS(=O)(=O)CCCOc1ccc(C)cc1C[C@@H](C)[NH3+] ZINC000086980084 179373423 /nfs/dbraw/zinc/37/34/23/179373423.db2.gz YHPZJPSGFHVOAX-CYBMUJFWSA-N 1 0 299.436 2.088 10 0 CEAERO CCS(=O)(=O)CCC[C@@H](Cc1ccccc1C)[NH2+]C ZINC000086979120 179373508 /nfs/dbraw/zinc/37/35/08/179373508.db2.gz FQPIIANAESNVJP-HNNXBMFYSA-N 1 0 283.437 2.340 10 0 CEAERO CCC[C@@H](CCCS(=O)(=O)CC)C[NH2+]C1CC1 ZINC000086980822 179373509 /nfs/dbraw/zinc/37/35/09/179373509.db2.gz ADTQNYAXHNCANR-LBPRGKRZSA-N 1 0 261.431 2.370 10 0 CEAERO CC1CCC([N@H+](C)[C@]2(CN)CCCOCC2)CC1 ZINC000086875218 179365654 /nfs/dbraw/zinc/36/56/54/179365654.db2.gz CXFYLGBJQLEKJN-YMAMQOFZSA-N 1 0 254.418 2.395 10 0 CEAERO C[NH2+][C@@H](Cc1ccncc1)[C@@H]1CSCCS1 ZINC000086985083 179373631 /nfs/dbraw/zinc/37/36/31/179373631.db2.gz TWMKXVMEIUMLRK-RYUDHWBXSA-N 1 0 254.424 2.061 10 0 CEAERO CSC[C@H]([NH3+])[C@@H]1CCOC2(CCSCC2)C1 ZINC000086911930 179366919 /nfs/dbraw/zinc/36/69/19/179366919.db2.gz CMZDDRFRXHCOND-MNOVXSKESA-N 1 0 261.456 2.369 10 0 CEAERO CC[C@H]1CCC[C@]([NH2+]CCN(CC)CC)(C(N)=O)CC1 ZINC000086914589 179367290 /nfs/dbraw/zinc/36/72/90/179367290.db2.gz TXTJNPIUQQHODY-GOEBONIOSA-N 1 0 283.460 2.132 10 0 CEAERO C[C@@H]1SCCC[C@@]1(CN)[N@@H+]1CCCSCC1 ZINC000086946181 179367831 /nfs/dbraw/zinc/36/78/31/179367831.db2.gz WRHSTFXUPKVLPJ-RYUDHWBXSA-N 1 0 260.472 2.038 10 0 CEAERO CC1(C)CCC[C@](CO)([NH2+]C[C@H]2CCCO2)CC1 ZINC000086920873 179368072 /nfs/dbraw/zinc/36/80/72/179368072.db2.gz AZSMQTYFUKLGHP-HIFRSBDPSA-N 1 0 255.402 2.476 10 0 CEAERO C1Cc2nc([C@H]3CSCCS3)sc2C[NH2+]1 ZINC000086985336 179373845 /nfs/dbraw/zinc/37/38/45/179373845.db2.gz BHJCIJYXFPXBEU-SECBINFHSA-N 1 0 258.437 2.310 10 0 CEAERO CC[C@H](C)n1ccc(C[C@H](CCCOC)[NH2+]C)n1 ZINC000086969866 179370560 /nfs/dbraw/zinc/37/05/60/179370560.db2.gz LYJDEEAJPIJZLU-STQMWFEESA-N 1 0 253.390 2.411 10 0 CEAERO CCOCc1ccccc1C[NH2+]CCCS(=O)(=O)CC ZINC000086973836 179371652 /nfs/dbraw/zinc/37/16/52/179371652.db2.gz DRHJXYRBMVZSFB-UHFFFAOYSA-N 1 0 299.436 2.138 10 0 CEAERO CC[C@H]([NH3+])c1ccccc1OCCCS(=O)(=O)CC ZINC000086972660 179371717 /nfs/dbraw/zinc/37/17/17/179371717.db2.gz XFYNUNFEYIPZBH-ZDUSSCGKSA-N 1 0 285.409 2.300 10 0 CEAERO CCC(O)(CC)C[NH2+]Cc1c(OC)nc2sccn12 ZINC000087014993 179380016 /nfs/dbraw/zinc/38/00/16/179380016.db2.gz BREVQKWWPLHQDT-UHFFFAOYSA-N 1 0 283.397 2.045 10 0 CEAERO Cc1cc(CCOCC[NH3+])sc1Br ZINC000087020508 179381172 /nfs/dbraw/zinc/38/11/72/179381172.db2.gz FKSOYPKHBAZUSM-UHFFFAOYSA-N 1 0 264.188 2.337 10 0 CEAERO CC[C@@H]([NH3+])CNC(=O)c1cc(C)c(Br)s1 ZINC000087018541 179381264 /nfs/dbraw/zinc/38/12/64/179381264.db2.gz JSFKFFWUGZJFMK-SSDOTTSWSA-N 1 0 291.214 2.286 10 0 CEAERO CCCCCCOC[C@@H](O)C[NH2+]CC(O)(CC)CC ZINC000087028367 179381690 /nfs/dbraw/zinc/38/16/90/179381690.db2.gz HDZFGTHVUAJRAK-AWEZNQCLSA-N 1 0 275.433 2.085 10 0 CEAERO Cc1nc(C[C@@H]([NH3+])[C@@H]2CSCCS2)cs1 ZINC000086984256 179374107 /nfs/dbraw/zinc/37/41/07/179374107.db2.gz PGVZIMLPLJQMNB-ZJUUUORDSA-N 1 0 260.453 2.170 10 0 CEAERO CCn1cc([C@H]([NH2+]C)[C@H]2CSCCS2)cn1 ZINC000086985069 179374182 /nfs/dbraw/zinc/37/41/82/179374182.db2.gz PHCYIZYZDVMARU-MNOVXSKESA-N 1 0 257.428 2.012 10 0 CEAERO CCN(C[C@@H]1CCCO1)[C@@H](C[NH3+])c1ccc(OC)c(F)c1 ZINC000086991810 179375383 /nfs/dbraw/zinc/37/53/83/179375383.db2.gz TZGUPOQNMYUISB-ZFWWWQNUSA-N 1 0 296.386 2.335 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)c1c(F)cc(F)cc1F ZINC000086997880 179377563 /nfs/dbraw/zinc/37/75/63/179377563.db2.gz IMURKDBCPWDMTJ-QWRGUYRKSA-N 1 0 272.270 2.104 10 0 CEAERO C[NH2+]CCCc1nnc(-c2c(F)cc(F)cc2F)o1 ZINC000086998751 179378137 /nfs/dbraw/zinc/37/81/37/179378137.db2.gz YTBHIXSLIUWIDR-UHFFFAOYSA-N 1 0 271.242 2.306 10 0 CEAERO C[C@H]([NH2+]C[C@@]1(O)CCC[C@@H](C)C1)c1cnn(C)c1 ZINC000087048904 179387963 /nfs/dbraw/zinc/38/79/63/179387963.db2.gz MRSAVVRZRSYEIH-MBNYWOFBSA-N 1 0 251.374 2.012 10 0 CEAERO CN1CCCC[C@@H]1C[NH2+]CC1(O)CCC(C)(C)CC1 ZINC000087047939 179388197 /nfs/dbraw/zinc/38/81/97/179388197.db2.gz OMZNNIZLFWMIJB-CQSZACIVSA-N 1 0 268.445 2.392 10 0 CEAERO C[C@@H]1CCC[C@](O)(C[NH2+][C@@H]2COc3cc(O)ccc32)C1 ZINC000087048641 179388213 /nfs/dbraw/zinc/38/82/13/179388213.db2.gz DNDHKMHRZQFLIP-DJSGYFEHSA-N 1 0 277.364 2.357 10 0 CEAERO O=c1[nH]c([NH2+]CC2(O)CCCC2)cc2ccccc21 ZINC000087029964 179382407 /nfs/dbraw/zinc/38/24/07/179382407.db2.gz XYEIJGSINYBNOZ-UHFFFAOYSA-N 1 0 258.321 2.245 10 0 CEAERO Cc1ccc(NC(=O)[C@@H](C)[NH2+]CC2(O)CCCC2)cc1 ZINC000087028798 179382425 /nfs/dbraw/zinc/38/24/25/179382425.db2.gz ZBHGJTYQTLHVHF-CYBMUJFWSA-N 1 0 276.380 2.217 10 0 CEAERO Cc1nn(C)c(OCc2cccc(Cl)c2)c1C[NH3+] ZINC000087090617 179394289 /nfs/dbraw/zinc/39/42/89/179394289.db2.gz REJOETOHJBBKEB-UHFFFAOYSA-N 1 0 265.744 2.420 10 0 CEAERO CC[C@@H]1C[NH2+]C[C@@H](c2cccc(OC)c2OC)O1 ZINC000087090156 179394340 /nfs/dbraw/zinc/39/43/40/179394340.db2.gz FXWGLJWXDBMLMI-MFKMUULPSA-N 1 0 251.326 2.143 10 0 CEAERO CCSCc1nc(C)c(CC[NH2+]CCOC)c(C)n1 ZINC000087106531 179394787 /nfs/dbraw/zinc/39/47/87/179394787.db2.gz NMHYNQAWVONOOH-UHFFFAOYSA-N 1 0 283.441 2.125 10 0 CEAERO Cc1ccccc1NC(=O)C[NH2+]C[C@@]1(O)CCC[C@@H](C)C1 ZINC000087065624 179390420 /nfs/dbraw/zinc/39/04/20/179390420.db2.gz SUSFALXEEAFXAH-CXAGYDPISA-N 1 0 290.407 2.464 10 0 CEAERO C[C@H]1CCC[C@](O)(CNC(=O)CC2([NH3+])CCCCC2)C1 ZINC000087069973 179391534 /nfs/dbraw/zinc/39/15/34/179391534.db2.gz LXPUNKSZSUTOJH-XJKSGUPXSA-N 1 0 282.428 2.096 10 0 CEAERO C[C@@H]([NH2+]CC1(O)CCCCCC1)C(=O)N1CCCCC1 ZINC000087089202 179393423 /nfs/dbraw/zinc/39/34/23/179393423.db2.gz FRSXRTPIJLKOIK-CQSZACIVSA-N 1 0 282.428 2.062 10 0 CEAERO CC[C@@H]1C[NH2+]C[C@H](c2cccc(OC)c2OC)O1 ZINC000087090154 179394198 /nfs/dbraw/zinc/39/41/98/179394198.db2.gz FXWGLJWXDBMLMI-ZWNOBZJWSA-N 1 0 251.326 2.143 10 0 CEAERO [NH3+]Cc1cn(-c2ccc(Cl)c(Br)c2)nn1 ZINC000087153403 179398053 /nfs/dbraw/zinc/39/80/53/179398053.db2.gz AUISOGSYGXCXLU-UHFFFAOYSA-N 1 0 287.548 2.142 10 0 CEAERO CC[NH+]1CCC(O)(Cc2ccc(OC)c(F)c2)CC1 ZINC000087165792 179398495 /nfs/dbraw/zinc/39/84/95/179398495.db2.gz RMSHDOMFMGRVKO-UHFFFAOYSA-N 1 0 267.344 2.224 10 0 CEAERO Nc1cc(C[C@H]([NH3+])CSc2ccccc2)ccn1 ZINC000087162088 179398501 /nfs/dbraw/zinc/39/85/01/179398501.db2.gz UUXFGYXZNLFRTP-LBPRGKRZSA-N 1 0 259.378 2.326 10 0 CEAERO C[NH2+][C@H](CC[C@H]1CCCO1)c1ccc2c(c1)C(=O)NCC2 ZINC000087215387 179402400 /nfs/dbraw/zinc/40/24/00/179402400.db2.gz YRCDKZMFGDICLF-GDBMZVCRSA-N 1 0 288.391 2.192 10 0 CEAERO CC[NH2+][C@@H](CC[C@@H]1CCCO1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000087213772 179402420 /nfs/dbraw/zinc/40/24/20/179402420.db2.gz PTUKEBYVTKLRLM-STQMWFEESA-N 1 0 289.379 2.466 10 0 CEAERO C[NH2+][C@@H](CSCC(C)C)Cc1cnccc1N ZINC000087123181 179395854 /nfs/dbraw/zinc/39/58/54/179395854.db2.gz GBLASTYRYRUVBF-GFCCVEGCSA-N 1 0 253.415 2.184 10 0 CEAERO COc1ccc([C@H](O)[C@@H](C[NH3+])c2ccc(OC)cc2)cc1 ZINC000087354004 179415482 /nfs/dbraw/zinc/41/54/82/179415482.db2.gz RRRXOOSCMXDJQQ-IRXDYDNUSA-N 1 0 287.359 2.480 10 0 CEAERO Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000248176772 539622201 /nfs/dbraw/zinc/62/22/01/539622201.db2.gz VSKYWSPFULMWQK-HZPDHXFCSA-N 1 0 274.408 2.463 10 0 CEAERO CCCC[C@H](O)[C@@H](C[NH3+])c1ccc(OC)c(OC)c1 ZINC000087370778 179416862 /nfs/dbraw/zinc/41/68/62/179416862.db2.gz UHRRBVHCZXTUKF-STQMWFEESA-N 1 0 267.369 2.297 10 0 CEAERO [NH3+]C[C@@H](c1cccs1)[C@H](O)c1cccc2c1OCCO2 ZINC000087375327 179417175 /nfs/dbraw/zinc/41/71/75/179417175.db2.gz SUMIYXUWVNNCDU-SMDDNHRTSA-N 1 0 291.372 2.295 10 0 CEAERO Cc1ccc([C@H](C[NH3+])[C@@H](O)[C@@H]2CCCOC2)cc1C ZINC000087383405 179418218 /nfs/dbraw/zinc/41/82/18/179418218.db2.gz MPXBIEAAZAEMAI-PMPSAXMXSA-N 1 0 263.381 2.133 10 0 CEAERO C[NH2+][C@H](Cc1ccc(F)cc1F)c1ccn(C)n1 ZINC000087424560 179423807 /nfs/dbraw/zinc/42/38/07/179423807.db2.gz XKKBTZHEBBRVIQ-CYBMUJFWSA-N 1 0 251.280 2.202 10 0 CEAERO C[C@@H]1CCC[C@](CNc2ncns2)([NH+](C)C)C1 ZINC000087641035 179461512 /nfs/dbraw/zinc/46/15/12/179461512.db2.gz BNJICQIBZPPGPF-PWSUYJOCSA-N 1 0 254.403 2.461 10 0 CEAERO CCCc1nsc(N2C[C@@H](C[NH3+])CC[C@@H]2C)n1 ZINC000087642792 179462390 /nfs/dbraw/zinc/46/23/90/179462390.db2.gz PBSNYPAQSHBJKN-VHSXEESVSA-N 1 0 254.403 2.054 10 0 CEAERO C[NH2+]C[C@@H]1CCCN(c2nc(C(C)C)ns2)C1 ZINC000087642441 179462447 /nfs/dbraw/zinc/46/24/47/179462447.db2.gz BGLNAQBVAVKOJH-JTQLQIEISA-N 1 0 254.403 2.097 10 0 CEAERO C[C@H](Nc1nc(C2CC2)ns1)[C@@H]1CCC[NH2+]C1 ZINC000087642485 179462606 /nfs/dbraw/zinc/46/26/06/179462606.db2.gz JYUGRNALBCGTMO-WCBMZHEXSA-N 1 0 252.387 2.216 10 0 CEAERO CN(CC[NH2+]C(C)(C)C)c1nc(C2CC2)ns1 ZINC000087643690 179463048 /nfs/dbraw/zinc/46/30/48/179463048.db2.gz HCLYEBHGRVWKCH-UHFFFAOYSA-N 1 0 254.403 2.240 10 0 CEAERO CC[C@@H]1CO[C@H](C)CN1C(=O)CCC(C)(C)CC[NH3+] ZINC000087684941 179470154 /nfs/dbraw/zinc/47/01/54/179470154.db2.gz CFBVAHMSNKWDAC-CHWSQXEVSA-N 1 0 270.417 2.168 10 0 CEAERO CC(C)(CC[NH3+])CCC(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000087696722 179471675 /nfs/dbraw/zinc/47/16/75/179471675.db2.gz MLBMTAKEOIAGTQ-ZDUSSCGKSA-N 1 0 292.427 2.271 10 0 CEAERO C[C@@H]([NH3+])CCC[C@@H](C)C(=O)N(C)CC1CCOCC1 ZINC000087702872 179473677 /nfs/dbraw/zinc/47/36/77/179473677.db2.gz FWYUXZLZHCDEAY-CHWSQXEVSA-N 1 0 270.417 2.025 10 0 CEAERO COc1cc(OC)c(CCOCC[NH2+]C(C)C)c(OC)c1 ZINC000087730482 179479162 /nfs/dbraw/zinc/47/91/62/179479162.db2.gz OLMPURWXHAUZDQ-UHFFFAOYSA-N 1 0 297.395 2.270 10 0 CEAERO C[C@H]([NH3+])[C@H](Sc1ncns1)c1ccccn1 ZINC000087513711 179438090 /nfs/dbraw/zinc/43/80/90/179438090.db2.gz ZJGOZOZEJDXAFH-CBAPKCEASA-N 1 0 252.368 2.114 10 0 CEAERO CC[C@H](C[NH3+])C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000087527528 179441306 /nfs/dbraw/zinc/44/13/06/179441306.db2.gz PLBJCVFIABTYGV-RISCZKNCSA-N 1 0 296.798 2.225 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N[C@H]1CCCc2occc21 ZINC000087531839 179441746 /nfs/dbraw/zinc/44/17/46/179441746.db2.gz GOIMWEAVBITBHK-PWSUYJOCSA-N 1 0 250.342 2.148 10 0 CEAERO CC[C@H](C[NH3+])C(=O)NCc1ccc2cc(OC)ccc2c1 ZINC000087532105 179441790 /nfs/dbraw/zinc/44/17/90/179441790.db2.gz ADPBFRNVPYXUEX-CYBMUJFWSA-N 1 0 286.375 2.450 10 0 CEAERO CC[NH2+][C@]1(CC(=O)OCC)CCc2ccccc2C1 ZINC000087548778 179444297 /nfs/dbraw/zinc/44/42/97/179444297.db2.gz DVISHVUAARXETF-MRXNPFEDSA-N 1 0 261.365 2.477 10 0 CEAERO Cc1cc(CNC(=O)[C@@H]2CCCC[C@H]2[NH3+])sc1C ZINC000087578229 179449823 /nfs/dbraw/zinc/44/98/23/179449823.db2.gz AOBHJOFZECEXDJ-CHWSQXEVSA-N 1 0 266.410 2.499 10 0 CEAERO CC(C)(CCCOc1cccc(S(C)(=O)=O)c1)C(N)=[NH2+] ZINC000087610790 179454206 /nfs/dbraw/zinc/45/42/06/179454206.db2.gz WALLGNGNNOQSKE-UHFFFAOYSA-N 1 0 298.408 2.211 10 0 CEAERO [NH3+]CCN1CCC[C@H](c2cnnc3ccccc32)CC1 ZINC000616629955 348540435 /nfs/dbraw/zinc/54/04/35/348540435.db2.gz WXHUBTMGKXNEPL-ZDUSSCGKSA-N 1 0 270.380 2.158 10 0 CEAERO NC[C@@H]([NH2+]C1CCCC1)c1ccc2c(c1)OCCCO2 ZINC000087911706 179519142 /nfs/dbraw/zinc/51/91/42/179519142.db2.gz ZXVFTOPJVHFEAC-CQSZACIVSA-N 1 0 276.380 2.380 10 0 CEAERO CC(C)(C)N1CC[NH2+]C[C@@H]1c1ccc2ccnnc2c1 ZINC000616638426 348542940 /nfs/dbraw/zinc/54/29/40/348542940.db2.gz ZYMQGIWKHAOSQZ-OAHLLOKOSA-N 1 0 270.380 2.375 10 0 CEAERO CC(C)[N@@H+]1CCOC[C@@H]1CCNC(=O)OC(C)(C)C ZINC000616637020 348543187 /nfs/dbraw/zinc/54/31/87/348543187.db2.gz JMQQBBQMJAWJFI-LBPRGKRZSA-N 1 0 272.389 2.010 10 0 CEAERO CC[C@@H]1C[C@](C[NH3+])(Nc2ccccc2OC)CCO1 ZINC000087913036 179521485 /nfs/dbraw/zinc/52/14/85/179521485.db2.gz NKBNZTUNQKUYPS-IUODEOHRSA-N 1 0 264.369 2.394 10 0 CEAERO CC(C)(C)OC(=O)NC[C@@H]1COCCC[N@@H+]1C(C)(C)C ZINC000616646193 348546117 /nfs/dbraw/zinc/54/61/17/348546117.db2.gz ULDXNXVCYMAMID-GFCCVEGCSA-N 1 0 286.416 2.401 10 0 CEAERO CC(C)[N@@H+]1CCOC[C@H](c2ccc3nnccc3c2)C1 ZINC000616660568 348552189 /nfs/dbraw/zinc/55/21/89/348552189.db2.gz NTJUXLKMXRJNMS-OAHLLOKOSA-N 1 0 271.364 2.454 10 0 CEAERO O=c1cc(C[NH2+]C2CC2)nc(C2CCCCCC2)[nH]1 ZINC000087949530 179528385 /nfs/dbraw/zinc/52/83/85/179528385.db2.gz OBCBIMPOAYEZLP-UHFFFAOYSA-N 1 0 261.369 2.460 10 0 CEAERO CC[NH2+][C@H](Cc1ccn(C(C)C)n1)[C@H]1CCCOC1 ZINC000087814818 179491366 /nfs/dbraw/zinc/49/13/66/179491366.db2.gz HIRVNAJKUOOIRV-DZGCQCFKSA-N 1 0 265.401 2.411 10 0 CEAERO Cc1nnc(S[C@H](c2cccc(F)c2)[C@@H](C)[NH3+])n1C ZINC000104184527 185918109 /nfs/dbraw/zinc/91/81/09/185918109.db2.gz NILFYHBSPQPUBC-PELKAZGASA-N 1 0 280.372 2.443 10 0 CEAERO CC(C)CC(=O)N1CC[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000616572047 348524410 /nfs/dbraw/zinc/52/44/10/348524410.db2.gz SZUGGSFDEHKERI-LSDHHAIUSA-N 1 0 260.381 2.376 10 0 CEAERO CCn1cnc2cc(NC(=O)C[C@H]3CCC[NH2+]C3)ccc21 ZINC000616576446 348525075 /nfs/dbraw/zinc/52/50/75/348525075.db2.gz UZBBNKVYHOCHDL-GFCCVEGCSA-N 1 0 286.379 2.384 10 0 CEAERO CC[C@@H](Cc1nc([C@H]2COc3ccccc3O2)no1)[NH2+]C ZINC000087861544 179504556 /nfs/dbraw/zinc/50/45/56/179504556.db2.gz JXJOZKKEFFFCFQ-GXFFZTMASA-N 1 0 289.335 2.123 10 0 CEAERO CCc1c(NN)[nH+]cnc1N(C)[C@H](C)C(C)(C)C ZINC000087867029 179505439 /nfs/dbraw/zinc/50/54/39/179505439.db2.gz JYXCYOPYEXVICG-SECBINFHSA-N 1 0 251.378 2.195 10 0 CEAERO Nc1ccc([C@H]2CNc3ccccc3N2CC[NH3+])cc1 ZINC000616585522 348526618 /nfs/dbraw/zinc/52/66/18/348526618.db2.gz RPOKMSRLBCZLFB-MRXNPFEDSA-N 1 0 268.364 2.201 10 0 CEAERO C[N@@H+]1CCc2ccccc2[C@@H]1c1ccc(C(N)=O)cc1 ZINC000616588245 348526796 /nfs/dbraw/zinc/52/67/96/348526796.db2.gz PLYDQHVANSQARH-INIZCTEOSA-N 1 0 266.344 2.363 10 0 CEAERO CC[N@@H+]1CCOCC[C@H]1c1ccc2nnccc2c1 ZINC000616597659 348528890 /nfs/dbraw/zinc/52/88/90/348528890.db2.gz HATFMXZURJQUJN-HNNXBMFYSA-N 1 0 257.337 2.413 10 0 CEAERO CC(C)[N@@H+]1CCOCC[C@@H]1c1cccc(CCO)c1 ZINC000616597614 348529291 /nfs/dbraw/zinc/52/92/91/348529291.db2.gz DSDRUKWOUCIDBI-MRXNPFEDSA-N 1 0 263.381 2.393 10 0 CEAERO [NH3+]C1([C@H]2CS(=O)(=O)c3ccccc32)Cc2ccccc2C1 ZINC000088044251 179539057 /nfs/dbraw/zinc/53/90/57/179539057.db2.gz VPZSFUVPNSBNIY-HNNXBMFYSA-N 1 0 299.395 2.054 10 0 CEAERO C[C@@H]([NH3+])CC[S@](=O)Cc1cccc(Br)c1 ZINC000088076653 179544432 /nfs/dbraw/zinc/54/44/32/179544432.db2.gz MZRMOBGCRLSHCV-RFAUZJTJSA-N 1 0 290.226 2.435 10 0 CEAERO CCOC[C@H](O)COc1cccc2c1CCC[C@@H]2[NH2+]C ZINC000088151567 179557627 /nfs/dbraw/zinc/55/76/27/179557627.db2.gz FFSCAVBVHDUISQ-WFASDCNBSA-N 1 0 279.380 2.060 10 0 CEAERO C[NH2+][C@H]1CCCc2c(OCC(=O)N3CCCC3)cccc21 ZINC000088151720 179557905 /nfs/dbraw/zinc/55/79/05/179557905.db2.gz HEINNOGQPXMJDX-HNNXBMFYSA-N 1 0 288.391 2.285 10 0 CEAERO [NH3+]CCN1C[C@H](c2ccc(CCO)cc2)Cc2ccccc21 ZINC000616674139 348556657 /nfs/dbraw/zinc/55/66/57/348556657.db2.gz XYMZPMWRDDXVCV-GOSISDBHSA-N 1 0 296.414 2.326 10 0 CEAERO [NH3+]CCC1(CS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000088272364 179572928 /nfs/dbraw/zinc/57/29/28/179572928.db2.gz WFIFVFZNNOCSSZ-UHFFFAOYSA-N 1 0 273.785 2.243 10 0 CEAERO C[C@H](C[NH3+])CC(=O)NCc1cccc(Br)c1 ZINC000087985437 179530899 /nfs/dbraw/zinc/53/08/99/179530899.db2.gz FTUNMRHEQOATMW-VIFPVBQESA-N 1 0 285.185 2.050 10 0 CEAERO C[C@H]([NH3+])CCc1nc([C@@H]2COc3ccccc3C2)no1 ZINC000087996352 179532519 /nfs/dbraw/zinc/53/25/19/179532519.db2.gz YNRWMFJDBCDXKF-JQWIXIFHSA-N 1 0 273.336 2.068 10 0 CEAERO COc1ccc(OCC[C@@]2(C[NH3+])CCCC[C@H]2O)cc1 ZINC000088415929 179596322 /nfs/dbraw/zinc/59/63/22/179596322.db2.gz UMNUNPUBGQCXAM-HZPDHXFCSA-N 1 0 279.380 2.344 10 0 CEAERO C[C@@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)N(C)CCC(F)(F)F ZINC000088438817 179602794 /nfs/dbraw/zinc/60/27/94/179602794.db2.gz AISXMGDNSLEKEX-UTLUCORTSA-N 1 0 266.307 2.161 10 0 CEAERO C[C@H](NC(=O)[C@@H]1C[NH2+]C[C@@H](C)C1)c1ccc(F)cc1 ZINC000088450323 179606132 /nfs/dbraw/zinc/60/61/32/179606132.db2.gz VKUKBLVCKFWBST-GVXVVHGQSA-N 1 0 264.344 2.249 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C(=O)Nc2ccc(F)c(F)c2)C1 ZINC000088449507 179606153 /nfs/dbraw/zinc/60/61/53/179606153.db2.gz XWMIZTGWXHRPAL-IUCAKERBSA-N 1 0 254.280 2.149 10 0 CEAERO C[C@](CO)(CN1CCCCc2ccccc21)[NH2+]C1CC1 ZINC000088336961 179579284 /nfs/dbraw/zinc/57/92/84/179579284.db2.gz SYXUUZLZVWAAAL-QGZVFWFLSA-N 1 0 274.408 2.332 10 0 CEAERO CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1Cc1ncnn1C ZINC000088580652 179628768 /nfs/dbraw/zinc/62/87/68/179628768.db2.gz IFGFLCSCWAACCX-JHJVBQTASA-N 1 0 250.390 2.162 10 0 CEAERO CC[NH2+][C@@H](Cc1ncnn1C)Cc1c(F)cccc1Cl ZINC000088582120 179629396 /nfs/dbraw/zinc/62/93/96/179629396.db2.gz IGERUSRDGLUICS-SNVBAGLBSA-N 1 0 296.777 2.371 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2C[C@@H]1Cc1ncnn1CC ZINC000088597755 179633469 /nfs/dbraw/zinc/63/34/69/179633469.db2.gz DNPWQIPVNHOVEM-CZUORRHYSA-N 1 0 270.380 2.364 10 0 CEAERO COc1cccc([C@H]([NH3+])Cc2ncnn2CC(C)C)c1 ZINC000088609888 179637446 /nfs/dbraw/zinc/63/74/46/179637446.db2.gz TZURYRYHZDMWNS-CQSZACIVSA-N 1 0 274.368 2.185 10 0 CEAERO CCCn1ncnc1C[C@H](Cc1ccccc1)[NH2+]C ZINC000088610352 179637998 /nfs/dbraw/zinc/63/79/98/179637998.db2.gz HUYBYMWMAWUYIZ-AWEZNQCLSA-N 1 0 258.369 2.061 10 0 CEAERO CCC[NH2+][C@@H]1CC[C@H](Cc2ncnn2CC)[C@@H]1C ZINC000088624416 179641771 /nfs/dbraw/zinc/64/17/71/179641771.db2.gz IOKPATKMWSJCKN-YNEHKIRRSA-N 1 0 250.390 2.255 10 0 CEAERO C[NH2+][C@H]1CCC[C@H](Cc2ncnn2CC(C)C)C1 ZINC000088624043 179641989 /nfs/dbraw/zinc/64/19/89/179641989.db2.gz AWEYGJLUEAKRSC-STQMWFEESA-N 1 0 250.390 2.255 10 0 CEAERO CCC[C@H]1C[NH2+]C(C)(C)CN1Cc1ncnn1CC(C)C ZINC000088625246 179642504 /nfs/dbraw/zinc/64/25/04/179642504.db2.gz MIHLWHLPCCWDIP-AWEZNQCLSA-N 1 0 293.459 2.287 10 0 CEAERO CCC[C@H]1C[NH2+][C@@H](CC)CN1Cc1ncnn1CC(C)C ZINC000088625333 179642661 /nfs/dbraw/zinc/64/26/61/179642661.db2.gz MNJKQSRHLGGHIQ-GJZGRUSLSA-N 1 0 293.459 2.287 10 0 CEAERO CC(C)n1ncnc1CN1CCC[NH2+]C2(CCCCC2)C1 ZINC000088625828 179642859 /nfs/dbraw/zinc/64/28/59/179642859.db2.gz NWXZYPHYAMLYPR-UHFFFAOYSA-N 1 0 291.443 2.357 10 0 CEAERO C[NH2+]CCCNC(=O)c1sc2cccc(Cl)c2c1N ZINC000088641285 179646383 /nfs/dbraw/zinc/64/63/83/179646383.db2.gz PVAATQJLNIVVJZ-UHFFFAOYSA-N 1 0 297.811 2.476 10 0 CEAERO C[C@@H]1CCCCC[C@H]1NC(=O)c1cc[nH+]c(NN)c1 ZINC000088517768 179617394 /nfs/dbraw/zinc/61/73/94/179617394.db2.gz AAOVSKAYWWWCRI-ZYHUDNBSSA-N 1 0 262.357 2.066 10 0 CEAERO CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC(=O)N(C)C2=O)CC1 ZINC000088776030 179670901 /nfs/dbraw/zinc/67/09/01/179670901.db2.gz ZCNUNBFZMOWRMP-FRRDWIJNSA-N 1 0 266.385 2.082 10 0 CEAERO [NH3+][C@H](Cc1ccncc1Cl)[C@H]1COc2ccccc2O1 ZINC000088789611 179672580 /nfs/dbraw/zinc/67/25/80/179672580.db2.gz SZWJICGHKZDSFW-IUODEOHRSA-N 1 0 290.750 2.445 10 0 CEAERO CCc1nc(CC)n(-c2ncccc2C[NH2+]C(C)C)n1 ZINC000088743830 179662918 /nfs/dbraw/zinc/66/29/18/179662918.db2.gz VZQJJBBCMBOWOK-UHFFFAOYSA-N 1 0 273.384 2.285 10 0 CEAERO CCCCNS(=O)(=O)c1cc(C[NH2+]C)ccc1CC ZINC000088983573 179690003 /nfs/dbraw/zinc/69/00/03/179690003.db2.gz OYXFEYBNGCYZDF-UHFFFAOYSA-N 1 0 284.425 2.047 10 0 CEAERO CCC[NH2+]C[C@@H](C)S(=O)(=O)N(CC)CC(CC)CC ZINC000088994272 179690414 /nfs/dbraw/zinc/69/04/14/179690414.db2.gz OUXASDUPQDUJBW-CYBMUJFWSA-N 1 0 292.489 2.462 10 0 CEAERO CCCCN(C1CC1)S(=O)(=O)c1cc(C[NH3+])cs1 ZINC000088995291 179690921 /nfs/dbraw/zinc/69/09/21/179690921.db2.gz BNUKSHLOCKYCNH-UHFFFAOYSA-N 1 0 288.438 2.160 10 0 CEAERO O[C@H]1C[NH2+]C[C@H]1Oc1ccc(-c2ccccc2)cc1 ZINC000104232645 185937699 /nfs/dbraw/zinc/93/76/99/185937699.db2.gz XIHLCZBEJLZJGV-JKSUJKDBSA-N 1 0 255.317 2.065 10 0 CEAERO CC[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)C1CCCCC1 ZINC000234038601 539687105 /nfs/dbraw/zinc/68/71/05/539687105.db2.gz IFWZYRVZEKOSAE-BNOWGMLFSA-N 1 0 252.402 2.317 10 0 CEAERO CC(C)[NH2+]CCCCS(=O)(=O)N1C[C@H](C)CC[C@@H]1C ZINC000089050791 179693487 /nfs/dbraw/zinc/69/34/87/179693487.db2.gz AEVBNJIANRYVAU-KGLIPLIRSA-N 1 0 290.473 2.215 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1ccncn1)c1cccnc1 ZINC000104253150 185944666 /nfs/dbraw/zinc/94/46/66/185944666.db2.gz OUJAKJRYUYUKAQ-AAEUAGOBSA-N 1 0 260.366 2.442 10 0 CEAERO Cc1ccc(O)c(C(=O)N(C)[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000089131977 179713389 /nfs/dbraw/zinc/71/33/89/179713389.db2.gz DVCBERTYRBCIER-TZMCWYRMSA-N 1 0 276.380 2.290 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc2[nH]ccc2c1 ZINC000089091029 539688626 /nfs/dbraw/zinc/68/86/26/539688626.db2.gz YGDVTSSMSMZIBC-GXTWGEPZSA-N 1 0 257.337 2.025 10 0 CEAERO CCN(C(=O)c1cccn1CC)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089114965 179709240 /nfs/dbraw/zinc/70/92/40/179709240.db2.gz NDYDKLDBBWGCOX-OLZOCXBDSA-N 1 0 263.385 2.098 10 0 CEAERO CCN(c1ncc(Br)cn1)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089116648 179710509 /nfs/dbraw/zinc/71/05/09/179710509.db2.gz KNFZHBALHLXACW-KOLCDFICSA-N 1 0 299.216 2.193 10 0 CEAERO [NH3+]CCc1c(Cl)cccc1Sc1nnnn1C1CC1 ZINC000104296265 185958618 /nfs/dbraw/zinc/95/86/18/185958618.db2.gz QQDBBYCLTMVTOB-UHFFFAOYSA-N 1 0 295.799 2.314 10 0 CEAERO Cc1nn(C)c(CO[C@H]2CCC[C@H]2C[NH3+])c1Cl ZINC000089234930 179759560 /nfs/dbraw/zinc/75/95/60/179759560.db2.gz CLZZNWGHLAZYOI-ONGXEEELSA-N 1 0 257.765 2.026 10 0 CEAERO CCOc1ccc(OCC[N@@H+]2C[C@@H](C)C[C@H](O)C2)cc1 ZINC000401494162 233182607 /nfs/dbraw/zinc/18/26/07/233182607.db2.gz ISJNVKSXWSUJMZ-KBPBESRZSA-N 1 0 279.380 2.167 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000089461763 539719262 /nfs/dbraw/zinc/71/92/62/539719262.db2.gz WDBNEMKPCRZJFC-APPZFPTMSA-N 1 0 272.270 2.417 10 0 CEAERO C[C@H]1C[C@H](O)C[N@H+](CCCC(=O)c2ccccc2)C1 ZINC000401761652 233185151 /nfs/dbraw/zinc/18/51/51/233185151.db2.gz SHONJMXJJDYJIF-ZFWWWQNUSA-N 1 0 261.365 2.352 10 0 CEAERO CCC[NH2+][C@@H](CCCOC)Cc1cc(C)nn1C ZINC000089198628 179751704 /nfs/dbraw/zinc/75/17/04/179751704.db2.gz GUENLWSVRLZNGM-ZDUSSCGKSA-N 1 0 253.390 2.066 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCc2sccc2C1 ZINC000089448577 539715741 /nfs/dbraw/zinc/71/57/41/539715741.db2.gz LUVSQHWLPNYVOB-CMPLNLGQSA-N 1 0 264.394 2.008 10 0 CEAERO COc1ccc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])cc1F ZINC000089450534 539715913 /nfs/dbraw/zinc/71/59/13/539715913.db2.gz JJDQEFTYLOVEIY-KOLCDFICSA-N 1 0 266.316 2.148 10 0 CEAERO CC[NH2+][C@H](Cc1cc(C)nn1CC)C1CCOCC1 ZINC000089199476 179752384 /nfs/dbraw/zinc/75/23/84/179752384.db2.gz JDPHZTDYXQSCFA-OAHLLOKOSA-N 1 0 265.401 2.159 10 0 CEAERO CN(Cc1ccccc1F)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089450874 539716408 /nfs/dbraw/zinc/71/64/08/539716408.db2.gz YVNPXJZBLGVYID-WCQYABFASA-N 1 0 264.344 2.159 10 0 CEAERO CC(=O)Nc1cc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])ccc1C ZINC000089454280 539716759 /nfs/dbraw/zinc/71/67/59/539716759.db2.gz XCNMOAXNTVBOMD-GXTWGEPZSA-N 1 0 289.379 2.267 10 0 CEAERO Cc1ccccc1OCCN(C)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089455725 539717281 /nfs/dbraw/zinc/71/72/81/539717281.db2.gz DPHUNBIELLHLHD-GJZGRUSLSA-N 1 0 290.407 2.207 10 0 CEAERO Cc1cccc(OCCN(C)C(=O)[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000089457160 539717471 /nfs/dbraw/zinc/71/74/71/539717471.db2.gz WEYJICKNSWKCJB-HOCLYGCPSA-N 1 0 290.407 2.207 10 0 CEAERO CCC[NH2+]Cc1ccn(Cc2cc(CC)nn2CC)n1 ZINC000089207557 179754111 /nfs/dbraw/zinc/75/41/11/179754111.db2.gz LKNMULSNXYBNNS-UHFFFAOYSA-N 1 0 275.400 2.210 10 0 CEAERO CCn1nc(C)cc1CC[C@H](C)C[NH2+]CCOC ZINC000089208005 179754560 /nfs/dbraw/zinc/75/45/60/179754560.db2.gz QFYWVGQHCYOYQC-LBPRGKRZSA-N 1 0 253.390 2.016 10 0 CEAERO Cc1cc(CN2CC[NH2+]C[C@H]2C2CCCCC2)n(C)n1 ZINC000089208680 179754791 /nfs/dbraw/zinc/75/47/91/179754791.db2.gz UVSLRHLWPBEGDM-INIZCTEOSA-N 1 0 276.428 2.083 10 0 CEAERO CCn1nc(C)cc1CN1CC2(CCCC2)[NH2+]C[C@@H]1C ZINC000089210632 179755981 /nfs/dbraw/zinc/75/59/81/179755981.db2.gz PHDYASYEFPLUIB-AWEZNQCLSA-N 1 0 276.428 2.318 10 0 CEAERO CCc1nn(C)c(C[C@H](C)C[NH2+]CCOC)c1Cl ZINC000089331940 179771052 /nfs/dbraw/zinc/77/10/52/179771052.db2.gz GJVLTFYUHNZINR-JTQLQIEISA-N 1 0 273.808 2.051 10 0 CEAERO CCc1nn(CC)c(CN2CCC[C@@H]([NH2+]C)C2)c1Cl ZINC000089353370 179772541 /nfs/dbraw/zinc/77/25/41/179772541.db2.gz NVQYURLOUPKKNR-LLVKDONJSA-N 1 0 284.835 2.303 10 0 CEAERO CCC(CC)N(CC[NH3+])C(=O)c1ccc(F)cc1 ZINC000104309831 185962915 /nfs/dbraw/zinc/96/29/15/185962915.db2.gz MQDWRDPPPUNFFC-UHFFFAOYSA-N 1 0 252.333 2.415 10 0 CEAERO CCn1nc(C)c(Cl)c1CN(C)[C@@H]1CCC[NH2+]C1 ZINC000089281975 179764632 /nfs/dbraw/zinc/76/46/32/179764632.db2.gz VDEZQZLPRWUPRE-LLVKDONJSA-N 1 0 270.808 2.049 10 0 CEAERO CC[C@H](NC(=O)[C@H]1CCCC[C@@H]1C[NH3+])c1nccs1 ZINC000089400640 179781473 /nfs/dbraw/zinc/78/14/73/179781473.db2.gz IAOVEMCOIJXUKT-WOPDTQHZSA-N 1 0 281.425 2.476 10 0 CEAERO CC(C)N(Cc1ccccn1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089457207 179794695 /nfs/dbraw/zinc/79/46/95/179794695.db2.gz JHDGTXAEPLPUSV-UKRRQHHQSA-N 1 0 275.396 2.194 10 0 CEAERO CO[C@H](C(=O)NC[C@@H]1CCCC[C@@H]1C[NH3+])c1ccccc1 ZINC000089531894 179811232 /nfs/dbraw/zinc/81/12/32/179811232.db2.gz WWIKJJXPSYPBFW-PMPSAXMXSA-N 1 0 290.407 2.255 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1CNC(=O)Cc1ccccc1 ZINC000089531874 179811395 /nfs/dbraw/zinc/81/13/95/179811395.db2.gz BTAPXCGLDCQGEF-LSDHHAIUSA-N 1 0 260.381 2.110 10 0 CEAERO C[NH2+]C1(CC(=O)NC[C@H]2CCCC[C@@H]2CO)CCCCC1 ZINC000089534305 179811784 /nfs/dbraw/zinc/81/17/84/179811784.db2.gz YCRFWMMMQNFKHK-HUUCEWRRSA-N 1 0 296.455 2.214 10 0 CEAERO CS(=O)(=O)c1ccc(OC[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000089537452 179812840 /nfs/dbraw/zinc/81/28/40/179812840.db2.gz PUDCWNDKTLSQMJ-QWHCGFSZSA-N 1 0 297.420 2.234 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1COCC(=O)Nc1ccccc1F ZINC000089536522 179812984 /nfs/dbraw/zinc/81/29/84/179812984.db2.gz RZTAHHSGXOFTBL-NEPJUHHUSA-N 1 0 280.343 2.156 10 0 CEAERO CCOC(=O)c1ccc(OC[C@H]2CCCC[C@H]2C[NH3+])nc1 ZINC000089538116 179813400 /nfs/dbraw/zinc/81/34/00/179813400.db2.gz GMLGLDUMGSLAHP-GXTWGEPZSA-N 1 0 292.379 2.402 10 0 CEAERO CCC[NH2+]C1CCC(O)(Cc2ncnn2CC(C)C)CC1 ZINC000089539911 179814078 /nfs/dbraw/zinc/81/40/78/179814078.db2.gz BROJYPUXIAJMLH-UHFFFAOYSA-N 1 0 294.443 2.150 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)CCC2 ZINC000089500403 179804938 /nfs/dbraw/zinc/80/49/38/179804938.db2.gz PBUFAXIBXRZWDQ-HZPDHXFCSA-N 1 0 272.392 2.280 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1CNc1ncnc2sccc21 ZINC000089501359 179805643 /nfs/dbraw/zinc/80/56/43/179805643.db2.gz NHLCYSHIXQXPNW-VHSXEESVSA-N 1 0 262.382 2.478 10 0 CEAERO Cc1ccc(NC(=O)C[NH2+]C[C@H]2CCCC[C@H]2CO)cc1 ZINC000089527373 179810011 /nfs/dbraw/zinc/81/00/11/179810011.db2.gz JWAXMHIYDIMLRR-CABCVRRESA-N 1 0 290.407 2.322 10 0 CEAERO CCN(Cc1ccc(OC(F)F)c(OC)c1)C1C[NH2+]C1 ZINC000090292076 179951177 /nfs/dbraw/zinc/95/11/77/179951177.db2.gz AODJCBOJXOLJBH-UHFFFAOYSA-N 1 0 286.322 2.090 10 0 CEAERO CCCN(Cc1ccc(OC(F)F)cc1)C1C[NH2+]C1 ZINC000090292393 179951414 /nfs/dbraw/zinc/95/14/14/179951414.db2.gz ZVTUZGIBRDXWBI-UHFFFAOYSA-N 1 0 270.323 2.472 10 0 CEAERO CCCN(C(=O)[C@H]1CCCc2ccccc21)C1C[NH2+]C1 ZINC000090293042 179952023 /nfs/dbraw/zinc/95/20/23/179952023.db2.gz AYVNNKMGQZYFMA-INIZCTEOSA-N 1 0 272.392 2.317 10 0 CEAERO CC(C)(C)[NH2+]Cc1cncn1C[C@H]1CCCOC1 ZINC000090241832 179939356 /nfs/dbraw/zinc/93/93/56/179939356.db2.gz YMNAVXCNKCYJPD-GFCCVEGCSA-N 1 0 251.374 2.198 10 0 CEAERO COC(OC)[C@@](C)(C[NH3+])N(C)Cc1ccc(Cl)s1 ZINC000090266465 179942118 /nfs/dbraw/zinc/94/21/18/179942118.db2.gz VYCKLNOAFRFHSY-GFCCVEGCSA-N 1 0 292.832 2.170 10 0 CEAERO CCc1ccc(N(C)[C@@](C)(C[NH3+])CC(OC)OC)cc1 ZINC000090265956 179942850 /nfs/dbraw/zinc/94/28/50/179942850.db2.gz UGVCIMDZRJIZCF-MRXNPFEDSA-N 1 0 280.412 2.412 10 0 CEAERO Cc1ccc(C(=O)N2C[C@@H]3C[NH2+]C[C@@H]3[C@@H]2C)cc1Cl ZINC000090325042 179959248 /nfs/dbraw/zinc/95/92/48/179959248.db2.gz CQKVQSQLOIHJOK-WCFLWFBJSA-N 1 0 278.783 2.328 10 0 CEAERO C[C@@H]([NH3+])CCSCC(=O)Nc1cc(C(C)(C)C)no1 ZINC000090345974 179970254 /nfs/dbraw/zinc/97/02/54/179970254.db2.gz AGNUHHXQLBRSAF-SECBINFHSA-N 1 0 285.413 2.381 10 0 CEAERO C[C@H](C[NH3+])CS[C@H](C)C(=O)Nc1ccccc1 ZINC000090349657 179971158 /nfs/dbraw/zinc/97/11/58/179971158.db2.gz WEBGLUXPUCWHBR-GHMZBOCLSA-N 1 0 252.383 2.342 10 0 CEAERO C[C@H](CC[NH3+])SCC(=O)NC1CCCCCC1 ZINC000090354404 179973625 /nfs/dbraw/zinc/97/36/25/179973625.db2.gz MMMGBNWTUMHOLX-LLVKDONJSA-N 1 0 258.431 2.296 10 0 CEAERO CC[C@H]([NH3+])CSCc1ccc(C(=O)OC)cc1 ZINC000090355222 179973973 /nfs/dbraw/zinc/97/39/73/179973973.db2.gz XXRLMAXCNLEIFW-LBPRGKRZSA-N 1 0 253.367 2.444 10 0 CEAERO CC[C@@H]([NH3+])CS[C@H](C)C(=O)NC1CCCCC1 ZINC000090357321 179975794 /nfs/dbraw/zinc/97/57/94/179975794.db2.gz FOQRZGAAUGUACP-GHMZBOCLSA-N 1 0 258.431 2.294 10 0 CEAERO CC(C)([NH3+])CSCc1nc(N)c2ccccc2n1 ZINC000090358578 179976654 /nfs/dbraw/zinc/97/66/54/179976654.db2.gz QOXFYZYINXPVCY-UHFFFAOYSA-N 1 0 262.382 2.183 10 0 CEAERO CC(C)C[NH2+]Cc1cn(-c2ccc(F)c(F)c2)nn1 ZINC000090299565 179953020 /nfs/dbraw/zinc/95/30/20/179953020.db2.gz CKVGUHJONHZFAT-UHFFFAOYSA-N 1 0 266.295 2.291 10 0 CEAERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1Nc1ccc2ccccc2n1 ZINC000090313585 179956546 /nfs/dbraw/zinc/95/65/46/179956546.db2.gz SXZQRFKAYXCNBY-LNSITVRQSA-N 1 0 257.337 2.151 10 0 CEAERO Cc1cccc(Cl)c1NS(=O)(=O)C1CC[NH2+]CC1 ZINC000090538206 179999401 /nfs/dbraw/zinc/99/94/01/179999401.db2.gz QMEPMOBMFOPXNZ-UHFFFAOYSA-N 1 0 288.800 2.142 10 0 CEAERO CCCCN(CCCC)C(=O)[C@H]1COC[C@H]1[NH2+]CCC ZINC000090539665 180000094 /nfs/dbraw/zinc/00/00/94/180000094.db2.gz NOLIENPIFSMHHF-LSDHHAIUSA-N 1 0 284.444 2.430 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1cc(C)ccc1C ZINC000090538809 180000254 /nfs/dbraw/zinc/00/02/54/180000254.db2.gz JEXSRIPWBTWTFV-UKRRQHHQSA-N 1 0 276.380 2.257 10 0 CEAERO Oc1ccc2c(c1)OC[C@@H]2[NH2+]CCOC1CCCC1 ZINC000104432527 186000670 /nfs/dbraw/zinc/00/06/70/186000670.db2.gz SOFOFBYAUXYPTR-AWEZNQCLSA-N 1 0 263.337 2.375 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)N(C)C1CCC(C)CC1 ZINC000090541778 180000385 /nfs/dbraw/zinc/00/03/85/180000385.db2.gz UFRKXMXRMYEKBD-WUCCLRPBSA-N 1 0 282.428 2.038 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N(C)[C@@H](C)c1ccccc1 ZINC000090541762 180000552 /nfs/dbraw/zinc/00/05/52/180000552.db2.gz HWRAPKZOSFFSAA-CWRNSKLLSA-N 1 0 290.407 2.221 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)N1CCC(CCC)CC1 ZINC000090544571 180001015 /nfs/dbraw/zinc/00/10/15/180001015.db2.gz XMFBHKFCFVJBLQ-HUUCEWRRSA-N 1 0 282.428 2.040 10 0 CEAERO C[C@]1(c2ccccc2)OC[C@H](CSCC2C[NH2+]C2)O1 ZINC000090712148 180028611 /nfs/dbraw/zinc/02/86/11/180028611.db2.gz GPCXZFNZZIBDSK-CABCVRRESA-N 1 0 279.405 2.227 10 0 CEAERO CCn1c2ccc(Cl)cc2nc1[C@@]1(C)COC[C@H]1[NH3+] ZINC000090571739 180007305 /nfs/dbraw/zinc/00/73/05/180007305.db2.gz UBJYXKGQMDAPKH-OCCSQVGLSA-N 1 0 279.771 2.325 10 0 CEAERO CC(C)c1ccc(-c2noc([C@@]3(C)COC[C@@H]3[NH3+])n2)cc1 ZINC000090573418 180008022 /nfs/dbraw/zinc/00/80/22/180008022.db2.gz UOKQXLAEXJRAPV-BBRMVZONSA-N 1 0 287.363 2.475 10 0 CEAERO CC(C)(c1noc([C@@]2(C)COC[C@H]2[NH3+])n1)c1ccccc1 ZINC000090573803 180008054 /nfs/dbraw/zinc/00/80/54/180008054.db2.gz VZGSDLKVTJQLPD-WBMJQRKESA-N 1 0 287.363 2.011 10 0 CEAERO C[C@@]1(C(=O)Nc2cc(Cl)ccc2Cl)COC[C@@H]1[NH3+] ZINC000090580138 180008289 /nfs/dbraw/zinc/00/82/89/180008289.db2.gz BWVHTTHBRRDRRE-CMPLNLGQSA-N 1 0 289.162 2.296 10 0 CEAERO C[C@@]1(C(=O)Nc2ccccc2C(F)(F)F)COC[C@@H]1[NH3+] ZINC000090580301 180008723 /nfs/dbraw/zinc/00/87/23/180008723.db2.gz LLSWDPUZTJBTEQ-CMPLNLGQSA-N 1 0 288.269 2.008 10 0 CEAERO CC(C)CCN(CCC(C)C)C(=O)[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090591429 180010248 /nfs/dbraw/zinc/01/02/48/180010248.db2.gz AJTAXNBCDGIFKK-HOCLYGCPSA-N 1 0 284.444 2.271 10 0 CEAERO CCSc1ccccc1NC(=O)[C@]1(C)COC[C@H]1[NH3+] ZINC000090590025 180010254 /nfs/dbraw/zinc/01/02/54/180010254.db2.gz BTEYXAPPDBFCON-TZMCWYRMSA-N 1 0 280.393 2.101 10 0 CEAERO CC(C)CCCCCCNC(=O)[C@@]1(C)COC[C@H]1[NH3+] ZINC000090598606 180010566 /nfs/dbraw/zinc/01/05/66/180010566.db2.gz MTSAEXZCIAWOAK-HIFRSBDPSA-N 1 0 270.417 2.073 10 0 CEAERO CCOc1ccc(NC(=O)[C@]2(C)COC[C@@H]2[NH3+])cc1Cl ZINC000090589794 180010618 /nfs/dbraw/zinc/01/06/18/180010618.db2.gz NEEXEJCGBJTZCB-GXTWGEPZSA-N 1 0 298.770 2.041 10 0 CEAERO C[C@]1(C(=O)Nc2c(Cl)cccc2Cl)COC[C@H]1[NH3+] ZINC000090605895 180011358 /nfs/dbraw/zinc/01/13/58/180011358.db2.gz MAQSWXOEALFRCG-SKDRFNHKSA-N 1 0 289.162 2.296 10 0 CEAERO CCCC[NH+](CCCC)[C@H](CN)CC(OC)OC ZINC000090625046 180015800 /nfs/dbraw/zinc/01/58/00/180015800.db2.gz MXMLXLMKYPLJBL-ZDUSSCGKSA-N 1 0 260.422 2.225 10 0 CEAERO C[C@@H](OCCCC[C@@](C)([NH2+]C1CC1)C(N)=O)C(F)(F)F ZINC000090674103 180021405 /nfs/dbraw/zinc/02/14/05/180021405.db2.gz CHFIAUKJYKYALV-BXKDBHETSA-N 1 0 296.333 2.120 10 0 CEAERO CC(C)[NH2+][C@](C)(CCCCO[C@H](C)C(F)(F)F)C(N)=O ZINC000090674195 180021612 /nfs/dbraw/zinc/02/16/12/180021612.db2.gz KHTUGIGHQLGKCT-ZYHUDNBSSA-N 1 0 298.349 2.366 10 0 CEAERO C[C@H](OCCOc1ccc(C(N)=[NH2+])cc1)C(F)(F)F ZINC000090673198 180021628 /nfs/dbraw/zinc/02/16/28/180021628.db2.gz GTMAIKRFDIGPSL-QMMMGPOBSA-N 1 0 276.258 2.317 10 0 CEAERO CC(C)[NH2+]Cc1ccc(O[C@H](C)C(F)(F)F)nn1 ZINC000090675365 180022549 /nfs/dbraw/zinc/02/25/49/180022549.db2.gz PSYPZEQQMUJVAZ-MRVPVSSYSA-N 1 0 263.263 2.304 10 0 CEAERO CCOCCCC[NH2+]CCO[C@@H](C)C(F)(F)F ZINC000090675752 180022572 /nfs/dbraw/zinc/02/25/72/180022572.db2.gz QZGYHDUXFYNMHL-JTQLQIEISA-N 1 0 257.296 2.360 10 0 CEAERO O=C(CN1CCC[C@@H]1[C@@H]1CCC[NH2+]C1)Nc1ccccc1 ZINC000090693966 180026169 /nfs/dbraw/zinc/02/61/69/180026169.db2.gz YLFUQHISAIMBTL-GDBMZVCRSA-N 1 0 287.407 2.089 10 0 CEAERO C[NH2+][C@H](c1cnccc1C)[C@H]1COc2ccccc2O1 ZINC000090710181 180028001 /nfs/dbraw/zinc/02/80/01/180028001.db2.gz WLJRONVJZXMGOW-HZPDHXFCSA-N 1 0 270.332 2.491 10 0 CEAERO OC[C@@H]1C[C@@]1(C[NH2+]Cc1ccccc1)c1cccnc1 ZINC000090727716 180032727 /nfs/dbraw/zinc/03/27/27/180032727.db2.gz JAVPOAKAVXEKRB-DLBZAZTESA-N 1 0 268.360 2.121 10 0 CEAERO COC(=O)c1cc(N[C@@H](C)C[NH+]2CCCCC2)ccn1 ZINC000090737679 180034424 /nfs/dbraw/zinc/03/44/24/180034424.db2.gz YMFLJZBYKOXXPD-LBPRGKRZSA-N 1 0 277.368 2.155 10 0 CEAERO CCN(c1ncncc1Br)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000090781819 180038965 /nfs/dbraw/zinc/03/89/65/180038965.db2.gz RTALVHRBFGZBOK-MWLCHTKSSA-N 1 0 299.216 2.193 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@@H]1CNc1ncncc1Br ZINC000090783224 180039217 /nfs/dbraw/zinc/03/92/17/180039217.db2.gz BVTMGLRZDRVTKW-NXEZZACHSA-N 1 0 299.216 2.416 10 0 CEAERO CC(C)Oc1cc(OCC2([NH3+])CCCCC2)ncn1 ZINC000090786339 180040601 /nfs/dbraw/zinc/04/06/01/180040601.db2.gz IYINUJDPWOXAFY-UHFFFAOYSA-N 1 0 265.357 2.304 10 0 CEAERO COc1cc(Oc2ccc(CC[NH3+])cc2)nc(C)n1 ZINC000090787253 180040918 /nfs/dbraw/zinc/04/09/18/180040918.db2.gz SPBGHSJCXFENIB-UHFFFAOYSA-N 1 0 259.309 2.087 10 0 CEAERO CCOc1cc(N[C@H]2CCCCC[C@H]2[NH3+])nc(C)n1 ZINC000090787872 180041358 /nfs/dbraw/zinc/04/13/58/180041358.db2.gz HHCALFNZRGXIRU-NEPJUHHUSA-N 1 0 264.373 2.256 10 0 CEAERO CCOc1cc(NC(CC)(CC)C[NH3+])nc(C)n1 ZINC000090787902 180041423 /nfs/dbraw/zinc/04/14/23/180041423.db2.gz UFWXLVAXFRLMTR-UHFFFAOYSA-N 1 0 252.362 2.113 10 0 CEAERO CCOc1cc(N2CC[NH2+]Cc3ccccc32)nc(C)n1 ZINC000090787847 180041486 /nfs/dbraw/zinc/04/14/86/180041486.db2.gz GTMNJXISPJNHEC-UHFFFAOYSA-N 1 0 284.363 2.425 10 0 CEAERO COc1cc(NCC[NH+]2CCCCCC2)nc(C)n1 ZINC000090792040 180042532 /nfs/dbraw/zinc/04/25/32/180042532.db2.gz GQIMDOYDJNOBGP-UHFFFAOYSA-N 1 0 264.373 2.082 10 0 CEAERO COc1ncnc(NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1C ZINC000090791635 180042641 /nfs/dbraw/zinc/04/26/41/180042641.db2.gz FYJSNKOCWAYMAZ-YHWZYXNKSA-N 1 0 276.384 2.221 10 0 CEAERO CCOc1cc(N[C@H](C)C[NH+](CC)CC)nc(C)n1 ZINC000090792316 180043088 /nfs/dbraw/zinc/04/30/88/180043088.db2.gz MFXFRMZEAUJPAZ-LLVKDONJSA-N 1 0 266.389 2.326 10 0 CEAERO CCOc1cc(N[C@H](C[NH+](C)C)C(C)C)nc(C)n1 ZINC000090792139 180043090 /nfs/dbraw/zinc/04/30/90/180043090.db2.gz VVBCSMKRMIMBRK-GFCCVEGCSA-N 1 0 266.389 2.182 10 0 CEAERO C[C@H](C[NH2+][C@@H]1CCCc2sccc21)[S@](C)=O ZINC000090841616 180043678 /nfs/dbraw/zinc/04/36/78/180043678.db2.gz UCTZOCIHZYQIMF-ZYSBLVPFSA-N 1 0 257.424 2.482 10 0 CEAERO C[NH2+]Cc1ccc(S(=O)(=O)[N-]c2ccsc2)cc1 ZINC000090867995 180048390 /nfs/dbraw/zinc/04/83/90/180048390.db2.gz SIMYQPNDMQAPBT-UHFFFAOYSA-N 1 0 282.390 2.268 10 0 CEAERO CC[NH2+]Cc1cccc(SCC(=O)OCC)c1 ZINC000090871218 180048934 /nfs/dbraw/zinc/04/89/34/180048934.db2.gz KPSXNILYSGQIRI-UHFFFAOYSA-N 1 0 253.367 2.451 10 0 CEAERO C[C@H](Sc1cccc(C[NH3+])c1)C(=O)N1CCCC1 ZINC000090870363 180048963 /nfs/dbraw/zinc/04/89/63/180048963.db2.gz MTTDJRNDERDNFF-NSHDSACASA-N 1 0 264.394 2.248 10 0 CEAERO C[NH2+]Cc1cccc(S[C@H](C)C(=O)NCCCOC)c1 ZINC000090870653 180049080 /nfs/dbraw/zinc/04/90/80/180049080.db2.gz QFBZULDTEOHYLK-GFCCVEGCSA-N 1 0 296.436 2.039 10 0 CEAERO CC[C@@H](C[NH3+])N1CCN(c2snc3ccccc32)CC1 ZINC000090868874 180049466 /nfs/dbraw/zinc/04/94/66/180049466.db2.gz RAVLUPFQGVJEGL-LBPRGKRZSA-N 1 0 290.436 2.156 10 0 CEAERO C[NH2+][C@H](C)[C@@H]1CCCCN1C[C@@H]1Cc2ccccc2O1 ZINC000090873648 180049612 /nfs/dbraw/zinc/04/96/12/180049612.db2.gz YSLNCWZSWQCZKY-KBMXLJTQSA-N 1 0 274.408 2.453 10 0 CEAERO CNC(=O)CCCSc1cccc(C[NH2+]CCOC)c1 ZINC000090873145 180049688 /nfs/dbraw/zinc/04/96/88/180049688.db2.gz PNYFBSFMODGLCT-UHFFFAOYSA-N 1 0 296.436 2.041 10 0 CEAERO COCCNC(=O)CSc1cccc(C[NH2+]C(C)C)c1 ZINC000090872071 180049815 /nfs/dbraw/zinc/04/98/15/180049815.db2.gz GAXLLAJSUWZVCP-UHFFFAOYSA-N 1 0 296.436 2.039 10 0 CEAERO CN(CC[NH2+]C(C)(C)C)C[C@H]1Cc2ccccc2O1 ZINC000090875397 180050564 /nfs/dbraw/zinc/05/05/64/180050564.db2.gz MOYMJUYWNWOHAL-CQSZACIVSA-N 1 0 262.397 2.310 10 0 CEAERO C[C@@H]1CCC[C@H](C[NH3+])N1C[C@@H]1Cc2ccccc2O1 ZINC000090875314 180050787 /nfs/dbraw/zinc/05/07/87/180050787.db2.gz XHHKDTFSRNWPGP-YUELXQCFSA-N 1 0 260.381 2.192 10 0 CEAERO CC[C@]1(C)C[NH2+][C@@H](C)CN1C[C@@H]1Cc2ccccc2O1 ZINC000090878284 180051922 /nfs/dbraw/zinc/05/19/22/180051922.db2.gz KHQXLOIARPHHNA-JLJPHGGASA-N 1 0 274.408 2.453 10 0 CEAERO CC[C@](C)(C[NH3+])OC[C@@H]1Cc2cc(F)ccc2O1 ZINC000090878961 180053023 /nfs/dbraw/zinc/05/30/23/180053023.db2.gz BPODDDLNYQIUEA-GXTWGEPZSA-N 1 0 253.317 2.273 10 0 CEAERO Fc1ccc2c(c1)C[C@H](COC[C@@H]1CCCC[NH2+]1)O2 ZINC000090893681 180055530 /nfs/dbraw/zinc/05/55/30/180055530.db2.gz UAUFCSSPPIBGQH-UONOGXRCSA-N 1 0 265.328 2.288 10 0 CEAERO C[NH2+]C[C@]1(C[C@@H]2Cc3cc(F)ccc3O2)CCOC1 ZINC000090895175 180055664 /nfs/dbraw/zinc/05/56/64/180055664.db2.gz WFKQEGYTPQGXGQ-DZGCQCFKSA-N 1 0 265.328 2.145 10 0 CEAERO CC[NH2+]Cc1cnc(C)n1C[C@H]1Cc2cc(F)ccc2O1 ZINC000090895632 180055777 /nfs/dbraw/zinc/05/57/77/180055777.db2.gz LUUGGRVSBDCPJW-OAHLLOKOSA-N 1 0 289.354 2.444 10 0 CEAERO COC(=O)CCC[N@H+](C)C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090894727 180056359 /nfs/dbraw/zinc/05/63/59/180056359.db2.gz RKFSHDZETHTFRB-ZDUSSCGKSA-N 1 0 281.327 2.014 10 0 CEAERO CC[NH2+]Cc1cn(C[C@@H]2Cc3cc(F)ccc3O2)nc1C ZINC000090895595 180056392 /nfs/dbraw/zinc/05/63/92/180056392.db2.gz YWXSGZOAAZXDJC-HNNXBMFYSA-N 1 0 289.354 2.444 10 0 CEAERO Fc1ccc2c(c1)C[C@@H](Cn1nccc1C[NH2+]C1CC1)O2 ZINC000090895616 180056428 /nfs/dbraw/zinc/05/64/28/180056428.db2.gz VFRRMDTXSFPFCE-HNNXBMFYSA-N 1 0 287.338 2.278 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090898934 180058105 /nfs/dbraw/zinc/05/81/05/180058105.db2.gz PMIQBQKZVFAGJW-CVEARBPZSA-N 1 0 274.408 2.372 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[N@@H+](CCCO)C(C)C)O2 ZINC000090900935 180058873 /nfs/dbraw/zinc/05/88/73/180058873.db2.gz SCUYHHSRSSFJIK-OAHLLOKOSA-N 1 0 263.381 2.391 10 0 CEAERO OC[C@H]1CCC[N@H+](C[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000090900914 180059124 /nfs/dbraw/zinc/05/91/24/180059124.db2.gz COSFZJPPEQENPF-FZMZJTMJSA-N 1 0 281.783 2.348 10 0 CEAERO C[NH2+]C[C@]1(C[C@@H]2Cc3cc(C)ccc3O2)CCOC1 ZINC000090901490 180059283 /nfs/dbraw/zinc/05/92/83/180059283.db2.gz FMKWIKACCVXNKC-GOEBONIOSA-N 1 0 261.365 2.315 10 0 CEAERO Cc1ccc([C@@H]([NH3+])CN2C[C@H]3CC[C@@H](C2)O3)c(C)c1 ZINC000090906132 180060850 /nfs/dbraw/zinc/06/08/50/180060850.db2.gz WTCMYOBHBPCDEN-LZWOXQAQSA-N 1 0 260.381 2.166 10 0 CEAERO Cc1cc([C@@H](C[NH3+])N2C[C@H]3CC[C@@H](C2)O3)c(C)s1 ZINC000090905895 180061139 /nfs/dbraw/zinc/06/11/39/180061139.db2.gz HCXYUZQZCSXAGN-MBNYWOFBSA-N 1 0 266.410 2.228 10 0 CEAERO Cc1ccccc1[C@H]([NH3+])CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000090907552 180061777 /nfs/dbraw/zinc/06/17/77/180061777.db2.gz FPLUPDFRCSWQLG-IJEWVQPXSA-N 1 0 260.381 2.248 10 0 CEAERO C[NH2+][C@@H](CCN1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000090907470 180061872 /nfs/dbraw/zinc/06/18/72/180061872.db2.gz UGZSODIJIBLPST-XHSDSOJGSA-N 1 0 260.381 2.200 10 0 CEAERO Cc1nc(N2C[C@H]3CC[C@@H](C2)O3)sc1C[NH2+]C1CC1 ZINC000090908164 180062316 /nfs/dbraw/zinc/06/23/16/180062316.db2.gz UKGVBCYKJRPDOI-TXEJJXNPSA-N 1 0 279.409 2.071 10 0 CEAERO CCC[NH2+]Cc1ccoc1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000090907839 180062414 /nfs/dbraw/zinc/06/24/14/180062414.db2.gz XDKLNHFRVGQPCM-OKILXGFUSA-N 1 0 264.369 2.142 10 0 CEAERO Cc1ccc(CN(C)Cc2csc(CC[NH3+])n2)o1 ZINC000090958018 180075141 /nfs/dbraw/zinc/07/51/41/180075141.db2.gz QTEYSVAAFYKVCE-UHFFFAOYSA-N 1 0 265.382 2.178 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+]CCN1CCCCC1 ZINC000090960474 180075666 /nfs/dbraw/zinc/07/56/66/180075666.db2.gz ORMWNFAWTXUDDE-UHFFFAOYSA-N 1 0 281.425 2.282 10 0 CEAERO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccccc1N ZINC000090961877 180076319 /nfs/dbraw/zinc/07/63/19/180076319.db2.gz DLERDYCFYSRAGG-AWEZNQCLSA-N 1 0 256.353 2.170 10 0 CEAERO CN(C(=O)[C@H]1Cc2ccccc21)c1cccc(C[NH3+])c1 ZINC000090982658 180079594 /nfs/dbraw/zinc/07/95/94/180079594.db2.gz DOFPQAGTEBOTEG-INIZCTEOSA-N 1 0 266.344 2.448 10 0 CEAERO [NH3+][C@H](CNC(=O)[C@H]1Cc2ccccc21)c1ccccc1 ZINC000090985443 180080715 /nfs/dbraw/zinc/08/07/15/180080715.db2.gz PNJVJNOIBUDBLP-JKSUJKDBSA-N 1 0 266.344 2.143 10 0 CEAERO O=C([C@@H]1Cc2ccccc21)N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000090985412 180080856 /nfs/dbraw/zinc/08/08/56/180080856.db2.gz ZSYNQYUNCLCPAD-OWCLPIDISA-N 1 0 270.376 2.069 10 0 CEAERO O=C([C@@H]1Cc2ccccc21)N1CC[NH2+]CC12CCCCC2 ZINC000090985602 180080865 /nfs/dbraw/zinc/08/08/65/180080865.db2.gz YTUJGZXJWRSRRZ-MRXNPFEDSA-N 1 0 284.403 2.461 10 0 CEAERO CC(C)[NH2+]CCc1nnc([C@H]2Cc3ccccc32)o1 ZINC000090986845 180080929 /nfs/dbraw/zinc/08/09/29/180080929.db2.gz DGIPJCFYZDJZPA-ZDUSSCGKSA-N 1 0 257.337 2.298 10 0 CEAERO [NH3+]Cc1cccn1Cc1cnn(-c2ccccc2)c1 ZINC000090995116 180082830 /nfs/dbraw/zinc/08/28/30/180082830.db2.gz FDWXILIGSOCHSY-UHFFFAOYSA-N 1 0 252.321 2.181 10 0 CEAERO CCn1nc(Cn2ccc(C[NH3+])c2)c2ccccc21 ZINC000090995250 180082858 /nfs/dbraw/zinc/08/28/58/180082858.db2.gz DYCTZNLGZUZQNY-UHFFFAOYSA-N 1 0 254.337 2.365 10 0 CEAERO CCC(CC)NC(=O)Cn1ccc(C[NH2+]C(C)C)c1 ZINC000091003624 180083966 /nfs/dbraw/zinc/08/39/66/180083966.db2.gz ULYYESPVPPLPLO-UHFFFAOYSA-N 1 0 265.401 2.291 10 0 CEAERO COCC[NH2+]Cc1cccn1CCCOCC(F)(F)F ZINC000091002199 180083978 /nfs/dbraw/zinc/08/39/78/180083978.db2.gz IUIARTREMPCELU-UHFFFAOYSA-N 1 0 294.317 2.193 10 0 CEAERO CCOC(=O)[C@@H](C)n1nc(C)c(C[NH2+]CC(C)C)c1C ZINC000091002307 180084159 /nfs/dbraw/zinc/08/41/59/180084159.db2.gz DOFMZHSMSQRIQB-CYBMUJFWSA-N 1 0 281.400 2.370 10 0 CEAERO Cc1nn(CCn2ccnc2C)c(C)c1C[NH2+]CC(C)C ZINC000091002257 180084172 /nfs/dbraw/zinc/08/41/72/180084172.db2.gz BHGGEJQVRVELBG-UHFFFAOYSA-N 1 0 289.427 2.451 10 0 CEAERO CCc1cc(Cn2cccc2C[C@@H]([NH3+])CC)n(C)n1 ZINC000091005786 180084666 /nfs/dbraw/zinc/08/46/66/180084666.db2.gz OFBRLFDIBMDLAL-LBPRGKRZSA-N 1 0 260.385 2.112 10 0 CEAERO COc1ccc(Cn2ccc(C[C@@H](C)[NH3+])c2)cc1OC ZINC000091005980 180084668 /nfs/dbraw/zinc/08/46/68/180084668.db2.gz NHKLFEFIHNBQOT-GFCCVEGCSA-N 1 0 274.364 2.443 10 0 CEAERO COc1c(C)cnc(Cn2ccc(C[C@@H](C)[NH3+])c2)c1C ZINC000091005845 180084772 /nfs/dbraw/zinc/08/47/72/180084772.db2.gz BWCGRFUVAUMSHA-GFCCVEGCSA-N 1 0 273.380 2.447 10 0 CEAERO [NH3+]Cc1cn(CCC[C@@H]2CCCO2)c2ncccc12 ZINC000091018688 180087334 /nfs/dbraw/zinc/08/73/34/180087334.db2.gz RVACQBUUESMZSL-CYBMUJFWSA-N 1 0 259.353 2.454 10 0 CEAERO CN1CCCC[C@H]1C[NH2+]Cc1c[nH]c2ncccc12 ZINC000091017684 180087382 /nfs/dbraw/zinc/08/73/82/180087382.db2.gz LHMMDLRCWOTYOC-ZDUSSCGKSA-N 1 0 258.369 2.137 10 0 CEAERO C[C@H]1CCC[C@@H](C[NH3+])N1Cc1c[nH]c2ncccc12 ZINC000091019721 180087620 /nfs/dbraw/zinc/08/76/20/180087620.db2.gz SFOJJYRPMYJOGE-AAEUAGOBSA-N 1 0 258.369 2.265 10 0 CEAERO CCn1cncc1Cn1cc(C[NH2+]C)c2cccnc21 ZINC000091019835 180087781 /nfs/dbraw/zinc/08/77/81/180087781.db2.gz DZSGKHMXLYKJAV-UHFFFAOYSA-N 1 0 269.352 2.020 10 0 CEAERO CCOCCn1cc(C[NH2+]C2CC2)c2cccnc21 ZINC000091020883 180088743 /nfs/dbraw/zinc/08/87/43/180088743.db2.gz AVDIYKPJUAWCLD-UHFFFAOYSA-N 1 0 259.353 2.325 10 0 CEAERO CCn1cccc1C[NH2+]C[C@H](CC(C)C)N1CCOCC1 ZINC000091023007 180088938 /nfs/dbraw/zinc/08/89/38/180088938.db2.gz NCILXSQAHOLPSY-KRWDZBQOSA-N 1 0 293.455 2.345 10 0 CEAERO C[C@H]([NH3+])c1nc(-c2nc(-c3ccccn3)no2)cs1 ZINC000090938534 180067988 /nfs/dbraw/zinc/06/79/88/180067988.db2.gz RERABOZLRKURAM-ZETCQYMHSA-N 1 0 273.321 2.275 10 0 CEAERO CC(C)[NH+](CCNC(=O)c1csc([C@@H](C)N)n1)C(C)C ZINC000090945405 180069551 /nfs/dbraw/zinc/06/95/51/180069551.db2.gz NJEQCMSTVTYPRB-LLVKDONJSA-N 1 0 298.456 2.011 10 0 CEAERO C[C@H]1C[N@H+](CCCCCn2cccn2)CCS1 ZINC000104695310 186014802 /nfs/dbraw/zinc/01/48/02/186014802.db2.gz OBHNNOHDQWMHIQ-ZDUSSCGKSA-N 1 0 253.415 2.491 10 0 CEAERO CCCNC(=O)C[C@@H](C[NH3+])N(C)Cc1ccccc1Cl ZINC000091317177 180133972 /nfs/dbraw/zinc/13/39/72/180133972.db2.gz PSXXOLFNLHRNFV-ZDUSSCGKSA-N 1 0 297.830 2.015 10 0 CEAERO Cc1cccc(N[C@H](C[NH3+])CC(=O)NC(C)(C)C)c1 ZINC000091321838 180134495 /nfs/dbraw/zinc/13/44/95/180134495.db2.gz QJVBTJCLDGVKLT-ZDUSSCGKSA-N 1 0 263.385 2.039 10 0 CEAERO CC(C)(C)NC(=O)C[C@H](C[NH3+])Nc1cccc(Cl)c1 ZINC000091321789 180134501 /nfs/dbraw/zinc/13/45/01/180134501.db2.gz QFCMSKZDTHVEEK-GFCCVEGCSA-N 1 0 283.803 2.384 10 0 CEAERO CCCCC[N@H+](C(C)C)[C@@H](CN)CC(=O)N1CCCC1 ZINC000091323449 180134692 /nfs/dbraw/zinc/13/46/92/180134692.db2.gz VJBPQYMYXACQTM-OAHLLOKOSA-N 1 0 283.460 2.227 10 0 CEAERO CC(C)n1ccc(C[C@@](C[NH3+])(c2ccccc2)[C@H](C)O)n1 ZINC000091327598 180135641 /nfs/dbraw/zinc/13/56/41/180135641.db2.gz HEHKSTOJAIUOFG-YOEHRIQHSA-N 1 0 287.407 2.284 10 0 CEAERO CCc1c(C[NH2+]CCOC)cnn1-c1ccccc1 ZINC000091335026 180136653 /nfs/dbraw/zinc/13/66/53/180136653.db2.gz PKOIKMBEMAFBEP-UHFFFAOYSA-N 1 0 259.353 2.171 10 0 CEAERO CCN(CCOC)C[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091362515 180141865 /nfs/dbraw/zinc/14/18/65/180141865.db2.gz CHAQRXIWIFWGJD-KKUMJFAQSA-N 1 0 254.418 2.266 10 0 CEAERO C[C@@H](CO)CSc1c(C(N)=[NH2+])cnc2ccccc21 ZINC000091256588 180115353 /nfs/dbraw/zinc/11/53/53/180115353.db2.gz WVLYVELAJYYDKH-VIFPVBQESA-N 1 0 275.377 2.239 10 0 CEAERO COCC[NH2+]Cc1ccccc1SC[C@@H](C)CO ZINC000091259765 180115682 /nfs/dbraw/zinc/11/56/82/180115682.db2.gz HEXBDWGFQMEDBT-LBPRGKRZSA-N 1 0 269.410 2.143 10 0 CEAERO C[NH2+][C@@H](CSC[C@@H](C)CO)c1ccc2c(c1)OCO2 ZINC000091261399 180115763 /nfs/dbraw/zinc/11/57/63/180115763.db2.gz VSHIIZIYFIGIOI-JQWIXIFHSA-N 1 0 283.393 2.037 10 0 CEAERO C[C@@H](CO)CSC[C@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000091260482 180115928 /nfs/dbraw/zinc/11/59/28/180115928.db2.gz SJHRLYKICKXBTF-AAEUAGOBSA-N 1 0 297.420 2.209 10 0 CEAERO COc1ccccc1[C@H]([NH3+])CSC[C@H](C)CO ZINC000091261602 180115977 /nfs/dbraw/zinc/11/59/77/180115977.db2.gz GEKRVWGFVHOIFC-ZYHUDNBSSA-N 1 0 255.383 2.057 10 0 CEAERO CC(C)n1cncc1[C@@H](O)[C@H]1[NH2+]CCc2ccccc21 ZINC000091273572 180118032 /nfs/dbraw/zinc/11/80/32/180118032.db2.gz XLGPPWHVCDGASN-JKSUJKDBSA-N 1 0 271.364 2.384 10 0 CEAERO CC(C)n1cncc1[C@H](CO)[NH2+]C1CCCCC1 ZINC000091273834 180118183 /nfs/dbraw/zinc/11/81/83/180118183.db2.gz VGOCDXGNQSPXMY-ZDUSSCGKSA-N 1 0 251.374 2.420 10 0 CEAERO CC(C)C[C@H](CN(C)C)[NH2+]Cc1cncn1C1CC1 ZINC000091275366 180118653 /nfs/dbraw/zinc/11/86/53/180118653.db2.gz STGIHBBKLPZOJP-CYBMUJFWSA-N 1 0 264.417 2.284 10 0 CEAERO [NH3+]C[C@@H](c1cncn1C1CC1)N1CCc2ccccc21 ZINC000091276173 180118694 /nfs/dbraw/zinc/11/86/94/180118694.db2.gz JLQNRJWWHGYVGR-HNNXBMFYSA-N 1 0 268.364 2.281 10 0 CEAERO CCCN1C(=O)CCC[C@H]([NH3+])[C@@H]1c1cncn1C1CC1 ZINC000091275594 180118723 /nfs/dbraw/zinc/11/87/23/180118723.db2.gz VVXAMCDNRIFIBJ-SWLSCSKDSA-N 1 0 276.384 2.009 10 0 CEAERO CCCN(C(C)C)[C@H](C[NH3+])c1cncn1C1CC1 ZINC000091276226 180119797 /nfs/dbraw/zinc/11/97/97/180119797.db2.gz QPRQZMJLLRPOOH-CYBMUJFWSA-N 1 0 250.390 2.338 10 0 CEAERO Cc1csc([C@H](C)NCC[C@@H]2CSCC[NH2+]2)n1 ZINC000091292345 180123547 /nfs/dbraw/zinc/12/35/47/180123547.db2.gz SSPUBOWCWVRIFC-WDEREUQCSA-N 1 0 271.455 2.197 10 0 CEAERO Cc1ccc2c(c1)nc(C[C@@H]1C[NH2+]CCO1)n2C1CC1 ZINC000091293203 180124326 /nfs/dbraw/zinc/12/43/26/180124326.db2.gz ASXZYXTYRYHXNL-CYBMUJFWSA-N 1 0 271.364 2.211 10 0 CEAERO C[C@H]([NH2+]C1CC(O)C1)c1ccc(OC(F)F)cc1 ZINC000091429949 180152884 /nfs/dbraw/zinc/15/28/84/180152884.db2.gz QAXYSHGWYAHELD-PUSIOWJLSA-N 1 0 257.280 2.462 10 0 CEAERO C[C@@H]([NH2+]C1CC(O)C1)c1ccc(OC(F)F)cc1 ZINC000091429951 180153007 /nfs/dbraw/zinc/15/30/07/180153007.db2.gz QAXYSHGWYAHELD-MFAVDMRSSA-N 1 0 257.280 2.462 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(c2nc(C(C)(C)C)c(CO)s2)C1 ZINC000091432982 180153728 /nfs/dbraw/zinc/15/37/28/180153728.db2.gz GZDAQSKSFBPTNU-LLVKDONJSA-N 1 0 297.468 2.463 10 0 CEAERO CCOc1ccc([C@@H](O)CN2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091433101 180153896 /nfs/dbraw/zinc/15/38/96/180153896.db2.gz DAYOWHCHIYKYNE-RDJZCZTQSA-N 1 0 292.423 2.145 10 0 CEAERO CC(C)C[NH2+]Cc1cncc(OCCOC(C)C)n1 ZINC000091433619 180154570 /nfs/dbraw/zinc/15/45/70/180154570.db2.gz HKUWWXAFHCLRFQ-UHFFFAOYSA-N 1 0 267.373 2.026 10 0 CEAERO C[C@H]1CCC[C@H](C[NH3+])N1C(=O)c1ccncc1Cl ZINC000091457031 180160139 /nfs/dbraw/zinc/16/01/39/180160139.db2.gz ZEYVAEDZEXOJHR-VHSXEESVSA-N 1 0 267.760 2.077 10 0 CEAERO CN(C(=O)c1ccncc1Cl)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000091457161 180160770 /nfs/dbraw/zinc/16/07/70/180160770.db2.gz NEXMCSSFIZEYIN-ZWNOBZJWSA-N 1 0 281.787 2.325 10 0 CEAERO CCN(C(=O)c1ccncc1Cl)[C@H]1CCC[C@H]1C[NH3+] ZINC000091457158 180161101 /nfs/dbraw/zinc/16/11/01/180161101.db2.gz XZEQTFDKXSKHBQ-GWCFXTLKSA-N 1 0 281.787 2.325 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(F)cc1)N(C)CC1CC(O)C1 ZINC000091461675 180161770 /nfs/dbraw/zinc/16/17/70/180161770.db2.gz XGMNXUDPUHVHGG-XZQMRNSJSA-N 1 0 280.387 2.307 10 0 CEAERO C[C@H]([NH3+])[C@H](c1ccc(Cl)s1)N(C)CC1CC(O)C1 ZINC000091464588 180163226 /nfs/dbraw/zinc/16/32/26/180163226.db2.gz HWWUGMHDDLVULQ-PPVZGCELSA-N 1 0 288.844 2.493 10 0 CEAERO CC[NH2+][C@@H](C)c1nnc(-c2ccncc2Cl)o1 ZINC000091465261 180163703 /nfs/dbraw/zinc/16/37/03/180163703.db2.gz DILVPRKPUYLUQM-ZETCQYMHSA-N 1 0 252.705 2.456 10 0 CEAERO CC[NH2+]CC[C@@](C)(O)Cc1ccn([C@H](C)CC)n1 ZINC000091467769 180164444 /nfs/dbraw/zinc/16/44/44/180164444.db2.gz RYUSAOSKCUOWHG-TZMCWYRMSA-N 1 0 253.390 2.147 10 0 CEAERO COc1ccc([C@](C)(O)CC[NH2+]C(C)C)cc1OC ZINC000091469669 180164848 /nfs/dbraw/zinc/16/48/48/180164848.db2.gz FYEKVZYIMDRKCK-OAHLLOKOSA-N 1 0 267.369 2.299 10 0 CEAERO CC[NH2+]CC[C@@](C)(O)Cc1cc(C)ccc1OC ZINC000091469325 180165026 /nfs/dbraw/zinc/16/50/26/180165026.db2.gz LXGXFLYWKFBCNP-OAHLLOKOSA-N 1 0 251.370 2.297 10 0 CEAERO CC[C@@H](C(=O)N(C)CC1CC([NH3+])C1)c1ccccc1 ZINC000091475729 180166285 /nfs/dbraw/zinc/16/62/85/180166285.db2.gz AWVNLZAOPPJZNQ-PESDSKBTSA-N 1 0 260.381 2.376 10 0 CEAERO Cc1cc([C@H]2[C@@H]([NH3+])CCC(=O)N2C)ccc1Br ZINC000091476139 180166312 /nfs/dbraw/zinc/16/63/12/180166312.db2.gz BUODJWXZSIDFLS-AAEUAGOBSA-N 1 0 297.196 2.378 10 0 CEAERO C[N@H+](CCC(=O)Nc1ccccc1Cl)CC1CC(O)C1 ZINC000091490051 180169358 /nfs/dbraw/zinc/16/93/58/180169358.db2.gz UAXWVUVAHLHDLH-UHFFFAOYSA-N 1 0 296.798 2.371 10 0 CEAERO CN[C@@H](CC[N@H+](C)CC1CC(O)C1)c1ccc(F)cc1 ZINC000091490955 180170006 /nfs/dbraw/zinc/17/00/06/180170006.db2.gz YAJFNHWGHVMPJL-MOQPWLNLSA-N 1 0 280.387 2.179 10 0 CEAERO CC1(C)C(C(=O)NCC[C@H]2CCC[NH2+]C2)C1(C)C ZINC000091492727 180170583 /nfs/dbraw/zinc/17/05/83/180170583.db2.gz GGTJTSRNKPDHRR-LLVKDONJSA-N 1 0 252.402 2.175 10 0 CEAERO C[C@H]1CC[C@@H](C[NH3+])CN1C(=O)C1C(C)(C)C1(C)C ZINC000091492771 180170939 /nfs/dbraw/zinc/17/09/39/180170939.db2.gz ATLHJCUXRKUORZ-QWRGUYRKSA-N 1 0 252.402 2.254 10 0 CEAERO CC1(C)C(C(=O)N[C@H](C[NH3+])Cc2ccccc2)C1(C)C ZINC000091494703 180171510 /nfs/dbraw/zinc/17/15/10/180171510.db2.gz ZLIGTDOURZRLBP-ZDUSSCGKSA-N 1 0 274.408 2.355 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1N1C(=O)CC2(CCCCCC2)C1=O ZINC000091497291 180173154 /nfs/dbraw/zinc/17/31/54/180173154.db2.gz JZRXGMUZZMADDB-CHWSQXEVSA-N 1 0 278.396 2.226 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1N1C(=O)CC2(CCCCC2)CC1=O ZINC000091497271 180173160 /nfs/dbraw/zinc/17/31/60/180173160.db2.gz ZNJRXBJSZRJLKV-CHWSQXEVSA-N 1 0 278.396 2.226 10 0 CEAERO CCC(CC)n1ccc(C[N@H+](C)CC2CC(O)C2)n1 ZINC000091498754 180173696 /nfs/dbraw/zinc/17/36/96/180173696.db2.gz FRCPMANRQNBHDA-UHFFFAOYSA-N 1 0 265.401 2.447 10 0 CEAERO Cc1ccc(C[C@H]([NH3+])c2cccc3c2OCCO3)nc1 ZINC000091385260 180143711 /nfs/dbraw/zinc/14/37/11/180143711.db2.gz CAUVOEMJNCOYAQ-AWEZNQCLSA-N 1 0 270.332 2.404 10 0 CEAERO CCC[NH2+][C@H]([C@H](C)c1ccncc1)C(C)(C)S(C)(=O)=O ZINC000091379991 180143762 /nfs/dbraw/zinc/14/37/62/180143762.db2.gz JYAGYXLGOZJGFR-TZMCWYRMSA-N 1 0 298.452 2.377 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(Cc2ccc(N)cc2Cl)C1 ZINC000091393020 180145760 /nfs/dbraw/zinc/14/57/60/180145760.db2.gz UTIMPCCXGPTWIM-CYBMUJFWSA-N 1 0 267.804 2.448 10 0 CEAERO C[C@H](c1ccccc1Cl)N(C)C(=O)C1C[NH2+]C1 ZINC000091411827 180148777 /nfs/dbraw/zinc/14/87/77/180148777.db2.gz KXADUYFMHGHIFA-SECBINFHSA-N 1 0 252.745 2.079 10 0 CEAERO CCCOc1ccc(Cl)cc1NC(=O)C1C[NH2+]C1 ZINC000091415282 180149348 /nfs/dbraw/zinc/14/93/48/180149348.db2.gz MHJHIHKTSXANSC-UHFFFAOYSA-N 1 0 268.744 2.287 10 0 CEAERO C[NH2+]Cc1cncc(N2CC[C@@H](c3ccccc3)C2)n1 ZINC000091418117 180150013 /nfs/dbraw/zinc/15/00/13/180150013.db2.gz LKCRMUSNMHQRID-CQSZACIVSA-N 1 0 268.364 2.190 10 0 CEAERO C[NH2+]Cc1cncc(N(C)[C@@H](C)c2cccs2)n1 ZINC000091419901 180150867 /nfs/dbraw/zinc/15/08/67/180150867.db2.gz SFAMUGJRYYAEHW-JTQLQIEISA-N 1 0 262.382 2.455 10 0 CEAERO CCC[NH2+]Cc1cncc(N(CCOC)[C@@H](C)CC)n1 ZINC000091420647 180150877 /nfs/dbraw/zinc/15/08/77/180150877.db2.gz XOCNOHKNKXNNDG-ZDUSSCGKSA-N 1 0 280.416 2.228 10 0 CEAERO CN(c1cncc(C[NH2+]C(C)(C)C)n1)[C@@H]1CCSC1 ZINC000091419192 180150925 /nfs/dbraw/zinc/15/09/25/180150925.db2.gz JEWFJLJWXAXWBY-GFCCVEGCSA-N 1 0 280.441 2.306 10 0 CEAERO CC(C)C[NH2+]Cc1cncc(-n2ccc(C(F)(F)F)n2)n1 ZINC000091422468 180151176 /nfs/dbraw/zinc/15/11/76/180151176.db2.gz PPRZTLOEWJNFEI-UHFFFAOYSA-N 1 0 299.300 2.427 10 0 CEAERO C[C@H]1CCCN(c2cncc(C[NH2+]C3CC3)n2)CC1 ZINC000091421638 180151490 /nfs/dbraw/zinc/15/14/90/180151490.db2.gz AIJAOHMTKFKVDJ-LBPRGKRZSA-N 1 0 260.385 2.355 10 0 CEAERO CCN1C(=O)C[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2)C1=O ZINC000105083262 186040577 /nfs/dbraw/zinc/04/05/77/186040577.db2.gz LDPITODWAAJHDC-CABZTGNLSA-N 1 0 280.755 2.138 10 0 CEAERO C[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1=O)c1ccc(Cl)cc1 ZINC000105083293 186041060 /nfs/dbraw/zinc/04/10/60/186041060.db2.gz UATXRLKNALZVDA-TVQRCGJNSA-N 1 0 292.766 2.281 10 0 CEAERO Cc1cnc(N)c([C@@H](O)C(C)(C)[NH+]2CCCCC2)c1 ZINC000091564185 180193333 /nfs/dbraw/zinc/19/33/33/180193333.db2.gz ZGYBKFOZDVHTQP-CYBMUJFWSA-N 1 0 263.385 2.270 10 0 CEAERO CCc1cc(C[C@H](O)C(C)(C)[NH+]2CCCCC2)n(C)n1 ZINC000091564044 180193750 /nfs/dbraw/zinc/19/37/50/180193750.db2.gz WCGROOMHPCGNNR-HNNXBMFYSA-N 1 0 279.428 2.150 10 0 CEAERO Cc1cccc([C@H]([NH3+])C(C)(C)N2CCOCC2)c1C ZINC000091566309 180193905 /nfs/dbraw/zinc/19/39/05/180193905.db2.gz WJMOPKPZBLOFOJ-HNNXBMFYSA-N 1 0 262.397 2.414 10 0 CEAERO COc1ccc(CC[C@@H]([NH3+])C(C)(C)N2CCOCC2)cc1 ZINC000091566104 180193968 /nfs/dbraw/zinc/19/39/68/180193968.db2.gz CKVDICRYSFRRDW-MRXNPFEDSA-N 1 0 292.423 2.066 10 0 CEAERO C[NH2+][C@H](CCc1ccsc1)C(C)(C)N1CCOCC1 ZINC000091566626 180194147 /nfs/dbraw/zinc/19/41/47/180194147.db2.gz MNFKFXVGZFWFCC-CQSZACIVSA-N 1 0 282.453 2.380 10 0 CEAERO C[NH2+][C@H](c1cc(F)ccc1F)C(C)(C)N1CCOCC1 ZINC000091566435 180194153 /nfs/dbraw/zinc/19/41/53/180194153.db2.gz UBJCKMANYJEANT-CQSZACIVSA-N 1 0 284.350 2.336 10 0 CEAERO CCc1ccc([C@H]([NH3+])C(C)(C)N2CCOCC2)cc1 ZINC000091566337 180194208 /nfs/dbraw/zinc/19/42/08/180194208.db2.gz PRCJRYPCEQENRV-HNNXBMFYSA-N 1 0 262.397 2.360 10 0 CEAERO CC(C)([C@@H]([NH3+])Cc1ccccc1Cl)N1CCOCC1 ZINC000091566302 180194290 /nfs/dbraw/zinc/19/42/90/180194290.db2.gz IYVITSQGVRIQLV-AWEZNQCLSA-N 1 0 282.815 2.321 10 0 CEAERO C[NH2+][C@@H](c1cccs1)C(C)(C)N1CCOCC1 ZINC000091566757 180194695 /nfs/dbraw/zinc/19/46/95/180194695.db2.gz ZKXHJPFGACRITO-LBPRGKRZSA-N 1 0 254.399 2.119 10 0 CEAERO CC[NH2+][C@@H](c1ccc(OC)cc1)C(C)(C)N1CCOCC1 ZINC000091566774 180194701 /nfs/dbraw/zinc/19/47/01/180194701.db2.gz BYJRRNYYLKCBDM-INIZCTEOSA-N 1 0 292.423 2.457 10 0 CEAERO C[NH2+][C@H](c1ccc(C)s1)C(C)(C)N1CCOCC1 ZINC000091566759 180194789 /nfs/dbraw/zinc/19/47/89/180194789.db2.gz OPYJSXVZQLKYSE-CYBMUJFWSA-N 1 0 268.426 2.428 10 0 CEAERO CC[NH2+][C@H](Cc1ccccc1F)C(C)(C)N1CCOCC1 ZINC000091566773 180194799 /nfs/dbraw/zinc/19/47/99/180194799.db2.gz UAENHRRPWJYGQF-MRXNPFEDSA-N 1 0 294.414 2.457 10 0 CEAERO CC[NH2+][C@@H](Cc1ccccc1F)C(C)(C)N1CCOCC1 ZINC000091566772 180194878 /nfs/dbraw/zinc/19/48/78/180194878.db2.gz UAENHRRPWJYGQF-INIZCTEOSA-N 1 0 294.414 2.457 10 0 CEAERO CC[C@@](C)([C@H](N)c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000091569820 180195379 /nfs/dbraw/zinc/19/53/79/180195379.db2.gz QYMAEFJMMGISCX-CABCVRRESA-N 1 0 266.385 2.434 10 0 CEAERO CC[C@](C)([C@@H](Cc1csc(C)n1)[NH2+]C)N(C)C ZINC000091570613 180195407 /nfs/dbraw/zinc/19/54/07/180195407.db2.gz HHXMJNURGVSMAK-CHWSQXEVSA-N 1 0 255.431 2.312 10 0 CEAERO CC[NH2+][C@@H](c1cc(C)cnc1N)[C@@](C)(CC)N(C)C ZINC000091571111 180195588 /nfs/dbraw/zinc/19/55/88/180195588.db2.gz WMZFVRFOGYWGBN-DZGCQCFKSA-N 1 0 264.417 2.353 10 0 CEAERO CC[C@@](C)([C@H](Cc1csc(C)n1)[NH2+]C)N(C)C ZINC000091570614 180195822 /nfs/dbraw/zinc/19/58/22/180195822.db2.gz HHXMJNURGVSMAK-STQMWFEESA-N 1 0 255.431 2.312 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@@H](O)Cc1ccncc1 ZINC000091573322 180196330 /nfs/dbraw/zinc/19/63/30/180196330.db2.gz ANNAHJGJMXYIPZ-GJZGRUSLSA-N 1 0 250.386 2.496 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@H](N)Cc1ccnc(N)c1 ZINC000091573552 180196659 /nfs/dbraw/zinc/19/66/59/180196659.db2.gz BYWUQAUKIVVUNS-HIFRSBDPSA-N 1 0 264.417 2.044 10 0 CEAERO CCCc1nn(C)c(N[C@@H](C)C[NH+]2CCCCC2)c1N ZINC000091578150 180197648 /nfs/dbraw/zinc/19/76/48/180197648.db2.gz XFQVZJYDWYIYCH-LBPRGKRZSA-N 1 0 279.432 2.241 10 0 CEAERO O=C(NCc1cccc(F)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105107785 186042445 /nfs/dbraw/zinc/04/24/45/186042445.db2.gz CJEQCUFFZJFTOL-HNNXBMFYSA-N 1 0 291.370 2.205 10 0 CEAERO CCCC1CCC([NH2+][C@H]2CC(=O)N(C3CC3)C2=O)CC1 ZINC000105101803 186042494 /nfs/dbraw/zinc/04/24/94/186042494.db2.gz HWIGWSXEBJPYHG-YIZWMMSDSA-N 1 0 278.396 2.225 10 0 CEAERO CCCc1nn(C)c(N[C@H](CC(C)C)C[NH+](C)C)c1N ZINC000091584217 180199530 /nfs/dbraw/zinc/19/95/30/180199530.db2.gz OYGZPDMGUKWCRF-GFCCVEGCSA-N 1 0 281.448 2.343 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@@H](N)c1cccnc1N ZINC000091598899 180201926 /nfs/dbraw/zinc/20/19/26/180201926.db2.gz WRAXNDQPJGMQSC-JSGCOSHPSA-N 1 0 250.390 2.174 10 0 CEAERO CCN(CC)[C@@](C)(CC)[C@H](Cc1cc(C)nn1C)[NH2+]C ZINC000091599675 180202247 /nfs/dbraw/zinc/20/22/47/180202247.db2.gz PIXHWFDFNFZTBS-HOTGVXAUSA-N 1 0 280.460 2.370 10 0 CEAERO CC[C@@](C)([C@@H](O)c1cc(C)cnc1N)[NH+]1CCCC1 ZINC000091603711 180202961 /nfs/dbraw/zinc/20/29/61/180202961.db2.gz LRARUJLREUEGJH-ZFWWWQNUSA-N 1 0 263.385 2.270 10 0 CEAERO CCc1cc(C[C@@H]([NH2+]C)[C@](C)(CC)N2CCCC2)n(C)n1 ZINC000091606598 180203784 /nfs/dbraw/zinc/20/37/84/180203784.db2.gz LILBJAHPFZFZCF-SJORKVTESA-N 1 0 292.471 2.378 10 0 CEAERO CC[C@@](C)([C@@H](NC)c1cnccc1N)[NH+]1CCCC1 ZINC000091606326 180203814 /nfs/dbraw/zinc/20/38/14/180203814.db2.gz IFZYQIBEJCZHRH-GJZGRUSLSA-N 1 0 262.401 2.189 10 0 CEAERO CC[NH2+][C@@H](Cc1cnccc1N)[C@](C)(CC)N1CCCC1 ZINC000091607207 180203966 /nfs/dbraw/zinc/20/39/66/180203966.db2.gz WUVKKVNXISOLNP-IRXDYDNUSA-N 1 0 290.455 2.449 10 0 CEAERO CCN[C@H](c1cnccn1)[C@](C)(CC)[NH+]1CCCC1 ZINC000091607189 180204673 /nfs/dbraw/zinc/20/46/73/180204673.db2.gz SXCKZMOIHAGAKF-CABCVRRESA-N 1 0 262.401 2.392 10 0 CEAERO CCn1cc([C@@H](N)[C@@](C)(CC)[NH+]2CCCC2)cn1 ZINC000091605644 180204752 /nfs/dbraw/zinc/20/47/52/180204752.db2.gz XXHGFIUREVGJAA-ZIAGYGMSSA-N 1 0 250.390 2.167 10 0 CEAERO CC[C@](C)([C@@H](N)c1nccn1C)[NH+]1CCCCC1 ZINC000091609136 180205327 /nfs/dbraw/zinc/20/53/27/180205327.db2.gz QWUNEDFWGWAVLM-GXTWGEPZSA-N 1 0 250.390 2.075 10 0 CEAERO CC[C@](C)([C@H]([NH2+]C)[C@@H]1CCOC1)N1CCCCC1 ZINC000091609634 180205543 /nfs/dbraw/zinc/20/55/43/180205543.db2.gz CEJPCAUSQFWKRI-RBSFLKMASA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@](C)([C@@H](N)c1ccnn1C)[NH+]1CCCCC1 ZINC000091609276 180205711 /nfs/dbraw/zinc/20/57/11/180205711.db2.gz KPMGTGXLHXIGMV-UONOGXRCSA-N 1 0 250.390 2.075 10 0 CEAERO CC[C@@](C)([C@H](N)Cc1cccnc1N)[NH+]1CCCCC1 ZINC000091609149 180205724 /nfs/dbraw/zinc/20/57/24/180205724.db2.gz ZLOSACPTEAGMIJ-ZBFHGGJFSA-N 1 0 276.428 2.188 10 0 CEAERO CC[C@@](C)([C@@H]([NH3+])c1cc(F)cc(F)c1)N1CCOCC1 ZINC000091611923 180206340 /nfs/dbraw/zinc/20/63/40/180206340.db2.gz AHMLPUMDAANFFD-GJZGRUSLSA-N 1 0 284.350 2.466 10 0 CEAERO CC[C@](C)([C@H]([NH3+])Cc1cc(F)ccc1F)N1CCOCC1 ZINC000091611914 180206395 /nfs/dbraw/zinc/20/63/95/180206395.db2.gz OJRORCNOYJXFGD-HZPDHXFCSA-N 1 0 298.377 2.336 10 0 CEAERO CC[C@@](C)([C@H]([NH3+])c1ccccc1C)N1CCOCC1 ZINC000091611581 180206552 /nfs/dbraw/zinc/20/65/52/180206552.db2.gz GLCCFDJARMQWNG-CVEARBPZSA-N 1 0 262.397 2.496 10 0 CEAERO CC[C@](C)([C@@H]([NH2+]C)c1ccco1)N1CCOCC1 ZINC000091612480 180207188 /nfs/dbraw/zinc/20/71/88/180207188.db2.gz YDGOODMHIXYULT-UONOGXRCSA-N 1 0 252.358 2.041 10 0 CEAERO CC[C@](C)([C@H]([NH2+]C)c1ccc(OC)cc1)N1CCOCC1 ZINC000091612218 180207192 /nfs/dbraw/zinc/20/71/92/180207192.db2.gz HUCRBKOTTFRJHK-IAGOWNOFSA-N 1 0 292.423 2.457 10 0 CEAERO CC[C@@](C)([C@H]([NH2+]C)C1CCCC1)N1CCOCC1 ZINC000091612377 180207227 /nfs/dbraw/zinc/20/72/27/180207227.db2.gz AUWLLKLNVUKUCK-CABCVRRESA-N 1 0 254.418 2.266 10 0 CEAERO CC[NH2+][C@H](c1nccn1CC)[C@@](C)(CC)N1CCOCC1 ZINC000091612978 180207387 /nfs/dbraw/zinc/20/73/87/180207387.db2.gz CADGIYSTFQBFMH-GDBMZVCRSA-N 1 0 294.443 2.055 10 0 CEAERO Cc1nc(NC(=O)[C@H]2CCC[NH2+]C2)ccc1Br ZINC000091507200 180176394 /nfs/dbraw/zinc/17/63/94/180176394.db2.gz FMPFKIHEZSGOIE-VIFPVBQESA-N 1 0 298.184 2.091 10 0 CEAERO CCN(CC)C(CC)(CC)[C@@H]([NH3+])CCCS(C)(=O)=O ZINC000091616014 180208279 /nfs/dbraw/zinc/20/82/79/180208279.db2.gz IVIAUQBPZXCMAO-ZDUSSCGKSA-N 1 0 292.489 2.039 10 0 CEAERO Cc1cc(F)cc(NS(=O)(=O)C[C@@H]2CCCC[NH2+]2)c1 ZINC000091516509 180177688 /nfs/dbraw/zinc/17/76/88/180177688.db2.gz UEUHZQDKIFTHTM-LBPRGKRZSA-N 1 0 286.372 2.018 10 0 CEAERO CC(C)C[NH2+]CC[C@@](C)(O)[C@@H]1Cc2ccccc2N1 ZINC000091520621 180177979 /nfs/dbraw/zinc/17/79/79/180177979.db2.gz SZFLXARZYCPWLF-JKSUJKDBSA-N 1 0 262.397 2.410 10 0 CEAERO COCC[NH2+]CC[C@@](C)(O)CCCc1ccccc1 ZINC000091521488 180178012 /nfs/dbraw/zinc/17/80/12/180178012.db2.gz MOCFQGDIMIGFIO-INIZCTEOSA-N 1 0 265.397 2.386 10 0 CEAERO COCC[NH2+]CC[C@](C)(O)Cc1ccc(C)c(C)c1 ZINC000091520649 180178421 /nfs/dbraw/zinc/17/84/21/180178421.db2.gz ANWJCAORSKLNIM-INIZCTEOSA-N 1 0 265.397 2.223 10 0 CEAERO CCCc1[nH+]c2cc(N)ccc2n1CC1CC(O)C1 ZINC000091524731 180178604 /nfs/dbraw/zinc/17/86/04/180178604.db2.gz HQHFFAGCVRGCJQ-UHFFFAOYSA-N 1 0 259.353 2.342 10 0 CEAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]CC1CC(O)C1 ZINC000091525921 180179070 /nfs/dbraw/zinc/17/90/70/180179070.db2.gz PLBWYGSNMROEER-YIOUJQMASA-N 1 0 298.427 2.040 10 0 CEAERO C[NH+](C)C(C)(C)[C@H](O)CCc1ccc2c(c1)CCO2 ZINC000091528211 180179703 /nfs/dbraw/zinc/17/97/03/180179703.db2.gz CTNMRJWFIKYTFO-OAHLLOKOSA-N 1 0 263.381 2.255 10 0 CEAERO CC[NH2+][C@@H](Cc1ccnc(N)c1)C(C)(C)N(CC)CC ZINC000091531289 180180879 /nfs/dbraw/zinc/18/08/79/180180879.db2.gz BVSSIJPUGJDEST-AWEZNQCLSA-N 1 0 278.444 2.305 10 0 CEAERO COc1ccc(Cl)c(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)c1 ZINC000091539678 180183188 /nfs/dbraw/zinc/18/31/88/180183188.db2.gz ABDHTQNJYBOBRK-RKDXNWHRSA-N 1 0 268.744 2.415 10 0 CEAERO CCN(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)c1ccccc1F ZINC000091543822 180185162 /nfs/dbraw/zinc/18/51/62/180185162.db2.gz TWHPQMVCSRHGAX-GHMZBOCLSA-N 1 0 250.317 2.306 10 0 CEAERO CCc1nn(C)cc1-c1ccc(OC)c(C[NH2+]C)c1 ZINC000091544437 180185586 /nfs/dbraw/zinc/18/55/86/180185586.db2.gz VZJKSNBZQYYLQS-UHFFFAOYSA-N 1 0 259.353 2.378 10 0 CEAERO C[NH+](C)C1([C@@H](O)c2cc(Cl)cnc2N)CCCC1 ZINC000091636418 180211304 /nfs/dbraw/zinc/21/13/04/180211304.db2.gz ZAGVDAKSPNAFOL-NSHDSACASA-N 1 0 269.776 2.225 10 0 CEAERO Cc1nc(C[C@H](N)C2([NH+](C)C)CCCC2)cs1 ZINC000091637326 180211455 /nfs/dbraw/zinc/21/14/55/180211455.db2.gz YDHZJQXUGZBETD-LBPRGKRZSA-N 1 0 253.415 2.196 10 0 CEAERO CC[NH+](CC)C1([C@H](NC)c2nccn2C)CCCC1 ZINC000091639487 180212140 /nfs/dbraw/zinc/21/21/40/180212140.db2.gz YCBWUVYPOWCCMM-CYBMUJFWSA-N 1 0 264.417 2.335 10 0 CEAERO CC[NH+](CC)C1([C@@H](O)Cc2cc(C)nn2C)CCCC1 ZINC000091638867 180212238 /nfs/dbraw/zinc/21/22/38/180212238.db2.gz FIHNFTQGSIFAPO-HNNXBMFYSA-N 1 0 279.428 2.287 10 0 CEAERO CC[NH+](CC)C1([C@H](O)Cc2ccnc(N)c2)CCCC1 ZINC000091638818 180212697 /nfs/dbraw/zinc/21/26/97/180212697.db2.gz AXEMPWQSAYEOFN-CQSZACIVSA-N 1 0 277.412 2.222 10 0 CEAERO Cn1ccnc1[C@H](N)C1([NH+]2CCCCC2)CCCC1 ZINC000091641889 180213026 /nfs/dbraw/zinc/21/30/26/180213026.db2.gz BWHQGMRITUVHPI-ZDUSSCGKSA-N 1 0 262.401 2.219 10 0 CEAERO O[C@@H](c1cncnc1)C1([NH+]2CCCCC2)CCCC1 ZINC000091641650 180213387 /nfs/dbraw/zinc/21/33/87/180213387.db2.gz SZXGOHBGAZGVIV-AWEZNQCLSA-N 1 0 261.369 2.309 10 0 CEAERO Cc1cc(C[C@H](N)C2([NH+]3CCCC3)CCCC2)n(C)n1 ZINC000091640678 180213537 /nfs/dbraw/zinc/21/35/37/180213537.db2.gz JKUMLWQGPCTWLD-HNNXBMFYSA-N 1 0 276.428 2.007 10 0 CEAERO COc1ccc([C@@H](O)C2([NH+]3CCOCC3)CCCC2)cc1 ZINC000091642663 180213862 /nfs/dbraw/zinc/21/38/62/180213862.db2.gz LULVVAJGVCGNTH-MRXNPFEDSA-N 1 0 291.391 2.374 10 0 CEAERO C[NH2+][C@@H](C1CCCC1)C1(N2CCOCC2)CCCC1 ZINC000091643155 180214119 /nfs/dbraw/zinc/21/41/19/180214119.db2.gz JUCWWCFBFPNGPN-HNNXBMFYSA-N 1 0 266.429 2.410 10 0 CEAERO Cc1ccnc(N)c1[C@@H](O)C1([NH+](C)C)CCCCC1 ZINC000091646627 180215493 /nfs/dbraw/zinc/21/54/93/180215493.db2.gz HJOSEPHUDZYSLE-CYBMUJFWSA-N 1 0 263.385 2.270 10 0 CEAERO CC[NH2+][C@@H](c1cnccn1)C1(N(C)C)CCCCC1 ZINC000091647762 180215523 /nfs/dbraw/zinc/21/55/23/180215523.db2.gz OEGWFFRYSULZIO-AWEZNQCLSA-N 1 0 262.401 2.392 10 0 CEAERO CCn1cc(C[C@@H](O)C2([NH+](C)C)CCC(C)CC2)cn1 ZINC000091648452 180216283 /nfs/dbraw/zinc/21/62/83/180216283.db2.gz INNYNTHKZPDQEG-OGVSOVDVSA-N 1 0 279.428 2.317 10 0 CEAERO C[C@H]1CCC[C@@](C(=O)C2CCOCC2)([NH+](C)C)C1 ZINC000091650032 180216607 /nfs/dbraw/zinc/21/66/07/180216607.db2.gz AODVVRUCJNODJF-SWLSCSKDSA-N 1 0 253.386 2.493 10 0 CEAERO C[NH2+][C@H](Cc1cccnc1N)C1(N(C)C)CCC(C)CC1 ZINC000091649133 180216622 /nfs/dbraw/zinc/21/66/22/180216622.db2.gz AFSVWOKWHZQNKY-GNHJJJEISA-N 1 0 290.455 2.305 10 0 CEAERO Fc1cnc(Cl)nc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000091655681 180217736 /nfs/dbraw/zinc/21/77/36/180217736.db2.gz TVLXRPJXXATPLH-JTQLQIEISA-N 1 0 284.766 2.334 10 0 CEAERO O=C(CC[NH2+][C@H]1CCCc2cccnc21)N1CCCC1 ZINC000091660326 180218343 /nfs/dbraw/zinc/21/83/43/180218343.db2.gz GBGDQHPABUYZMZ-AWEZNQCLSA-N 1 0 273.380 2.061 10 0 CEAERO Cc1cc(C)cc(CC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000091714072 180231547 /nfs/dbraw/zinc/23/15/47/180231547.db2.gz WCZKPMVWPZIGKN-NVXWUHKLSA-N 1 0 273.376 2.278 10 0 CEAERO CCC[NH2+][C@@H](CC1CCCC1)[C@H]1CN(C)CCO1 ZINC000091718964 180233362 /nfs/dbraw/zinc/23/33/62/180233362.db2.gz HPJQDBPMOPIZOR-LSDHHAIUSA-N 1 0 254.418 2.266 10 0 CEAERO CC[NH2+][C@H](Cc1cc(C)ccc1C)[C@H]1CN(C)CCO1 ZINC000091718633 180233468 /nfs/dbraw/zinc/23/34/68/180233468.db2.gz GBDRUYJLPNLYBP-IAGOWNOFSA-N 1 0 276.424 2.155 10 0 CEAERO C[NH2+][C@H](Cc1csc2ccccc12)[C@H]1CN(C)CCO1 ZINC000091718169 180233498 /nfs/dbraw/zinc/23/34/98/180233498.db2.gz RALNDPPQFUMKRW-HUUCEWRRSA-N 1 0 290.432 2.362 10 0 CEAERO CC[NH2+][C@H](c1cccc2cnccc21)[C@H]1CN(C)CCO1 ZINC000091718733 180233573 /nfs/dbraw/zinc/23/35/73/180233573.db2.gz XQKOMPNYPXGISA-IAGOWNOFSA-N 1 0 285.391 2.216 10 0 CEAERO CC[NH2+][C@H](c1cc(C)ccc1C)[C@H]1CN(C)CCO1 ZINC000091718697 180233739 /nfs/dbraw/zinc/23/37/39/180233739.db2.gz ZWIAPBSGOQYRTD-HZPDHXFCSA-N 1 0 262.397 2.285 10 0 CEAERO CC[NH2+][C@@H](Cc1ccc(Cl)s1)[C@@H]1CN(C)CCO1 ZINC000091718538 180233823 /nfs/dbraw/zinc/23/38/23/180233823.db2.gz YZIJUCIQBJJIRB-RYUDHWBXSA-N 1 0 288.844 2.253 10 0 CEAERO C[NH2+][C@H](Cc1ccc(Cl)cc1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721143 180237571 /nfs/dbraw/zinc/23/75/71/180237571.db2.gz DDTCZCSDLFUXQO-BZUAXINKSA-N 1 0 294.826 2.334 10 0 CEAERO C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1CCOC[C@@H]1O ZINC000624238727 350241076 /nfs/dbraw/zinc/24/10/76/350241076.db2.gz XNLFLDVVJSVOAG-KBMXLJTQSA-N 1 0 277.408 2.482 10 0 CEAERO CC(C)C[C@@H]1CCC[C@H]([NH2+][C@H]2CCOC[C@H]2O)C1 ZINC000624238274 350241087 /nfs/dbraw/zinc/24/10/87/350241087.db2.gz NUIPSLKHJXZGDY-ZQDZILKHSA-N 1 0 255.402 2.331 10 0 CEAERO C[NH2+][C@H](c1cccc(C)c1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721159 180238159 /nfs/dbraw/zinc/23/81/59/180238159.db2.gz AOUJLIBFENOVHQ-BZUAXINKSA-N 1 0 260.381 2.119 10 0 CEAERO C[C@@H]([NH3+])c1cccn1CC(=O)Nc1cccc(F)c1 ZINC000091800300 180259343 /nfs/dbraw/zinc/25/93/43/180259343.db2.gz BFDAKPHWUWSALO-SNVBAGLBSA-N 1 0 261.300 2.286 10 0 CEAERO CCc1ccc(C(=O)N2CCCC[C@@H]2C[NH2+]C)o1 ZINC000091762585 180248342 /nfs/dbraw/zinc/24/83/42/180248342.db2.gz MDRWHJDSUIGZFH-LLVKDONJSA-N 1 0 250.342 2.056 10 0 CEAERO O[C@@H]1CCC[C@H]1[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000309604236 539784254 /nfs/dbraw/zinc/78/42/54/539784254.db2.gz CIWQOIOZFDAJOK-BRWVUGGUSA-N 1 0 275.392 2.439 10 0 CEAERO CC[C@H]1CN([C@@H](C)c2ccc(C(=O)OC)o2)CC[N@@H+]1C ZINC000091782578 180255055 /nfs/dbraw/zinc/25/50/55/180255055.db2.gz VFCGGQMSIVZAKV-RYUDHWBXSA-N 1 0 280.368 2.153 10 0 CEAERO CCN(c1nccn(C(C)(C)C)c1=O)C1CCC([NH3+])CC1 ZINC000091851261 180272675 /nfs/dbraw/zinc/27/26/75/180272675.db2.gz WSLQOWFHMZMCRA-UHFFFAOYSA-N 1 0 292.427 2.095 10 0 CEAERO CCCN(C(=O)c1cc(C)on1)C1CCC([NH3+])CC1 ZINC000091851938 180273259 /nfs/dbraw/zinc/27/32/59/180273259.db2.gz RNGWLQVOIOPENO-UHFFFAOYSA-N 1 0 265.357 2.105 10 0 CEAERO CCc1cc(C[N@H+](C)C2CCC3(CC2)OCCO3)n(C)n1 ZINC000091853525 180273321 /nfs/dbraw/zinc/27/33/21/180273321.db2.gz XNHTWVHNLIPILU-UHFFFAOYSA-N 1 0 293.411 2.100 10 0 CEAERO Cc1ccc(NC(=O)C[N@@H+](C)C2CCC(=O)CC2)cc1 ZINC000091853866 180273589 /nfs/dbraw/zinc/27/35/89/180273589.db2.gz HCRUZKRRPRRNQD-UHFFFAOYSA-N 1 0 274.364 2.377 10 0 CEAERO CC[NH2+][C@@H](C)c1ccn(CC(=O)N[C@@H](C)CC)c1 ZINC000091804916 180259645 /nfs/dbraw/zinc/25/96/45/180259645.db2.gz ITQTTYGNMRXPLN-RYUDHWBXSA-N 1 0 251.374 2.073 10 0 CEAERO CCC[NH2+][C@@H](C)c1cccn1CCCC(=O)N(C)C ZINC000091803204 180259787 /nfs/dbraw/zinc/25/97/87/180259787.db2.gz LBMHHMOTEYCXSZ-ZDUSSCGKSA-N 1 0 265.401 2.417 10 0 CEAERO C[C@@H]([NH3+])c1ccn(Cc2nn(C)c3ccccc23)c1 ZINC000091803854 180259858 /nfs/dbraw/zinc/25/98/58/180259858.db2.gz UKBWLQSSRYHTHH-LLVKDONJSA-N 1 0 254.337 2.443 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccn(CC(=O)N(C)C(C)C)c1 ZINC000091806242 180260748 /nfs/dbraw/zinc/26/07/48/180260748.db2.gz GXPFLIHZUBMULF-ZDUSSCGKSA-N 1 0 265.401 2.416 10 0 CEAERO CC[C@H]([NH2+]C)c1ccn(CC(=O)N[C@@H](C)C(C)C)c1 ZINC000091816737 180263088 /nfs/dbraw/zinc/26/30/88/180263088.db2.gz YUIIAYIUDDJJBJ-JSGCOSHPSA-N 1 0 265.401 2.319 10 0 CEAERO CC[NH2+][C@@H](CC)c1ccn(CCC(=O)N(C)C)c1 ZINC000091817133 180263389 /nfs/dbraw/zinc/26/33/89/180263389.db2.gz LFZWCMLBYPJZMM-ZDUSSCGKSA-N 1 0 251.374 2.027 10 0 CEAERO CCC[C@H]([NH2+]CC)c1ccn(CC(=O)N[C@@H](C)COC)c1 ZINC000091823293 180263917 /nfs/dbraw/zinc/26/39/17/180263917.db2.gz HBOWGSSDBZFSLR-ZFWWWQNUSA-N 1 0 295.427 2.090 10 0 CEAERO C[NH2+][C@@H](c1ccn(Cc2cc(C)nn2C)c1)C(C)C ZINC000091826780 180264427 /nfs/dbraw/zinc/26/44/27/180264427.db2.gz KQIPIQBDFRMDHZ-OAHLLOKOSA-N 1 0 260.385 2.495 10 0 CEAERO NC(=O)c1cnc2ccccc2c1NC1CCC([NH3+])CC1 ZINC000091843575 180269011 /nfs/dbraw/zinc/26/90/11/180269011.db2.gz UMJFRTLSXQOZPG-UHFFFAOYSA-N 1 0 284.363 2.016 10 0 CEAERO CCCn1cccc1C(=O)N(C)C1CCC([NH3+])CC1 ZINC000091845332 180270015 /nfs/dbraw/zinc/27/00/15/180270015.db2.gz WSKRAWVMNDBZJQ-UHFFFAOYSA-N 1 0 263.385 2.240 10 0 CEAERO C[N@H+](C[C@H](C(=O)[O-])c1ccccc1)C1CCC([NH3+])CC1 ZINC000091847005 180270164 /nfs/dbraw/zinc/27/01/64/180270164.db2.gz SCFUIVCEHIPDOI-NRXISQOPSA-N 1 0 276.380 2.057 10 0 CEAERO CC(C)n1cncc1[C@@H](O)C1(C[NH3+])Cc2ccccc2C1 ZINC000091926552 180287633 /nfs/dbraw/zinc/28/76/33/180287633.db2.gz YQNLXONSJSOSCU-MRXNPFEDSA-N 1 0 285.391 2.241 10 0 CEAERO CCCN(C(=O)N(C)C)[C@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000091960676 180292557 /nfs/dbraw/zinc/29/25/57/180292557.db2.gz DJWHZDSVLXUCNF-TZMCWYRMSA-N 1 0 255.406 2.288 10 0 CEAERO CCN(CC)C(=O)N1CCC[C@@H](C[NH2+]C(C)C)C1 ZINC000091962076 180293200 /nfs/dbraw/zinc/29/32/00/180293200.db2.gz WPWOHDFBCDFJQN-ZDUSSCGKSA-N 1 0 255.406 2.158 10 0 CEAERO C[C@H]([NH3+])c1csc(NC(=O)N2CCCCC2)n1 ZINC000091969139 180294554 /nfs/dbraw/zinc/29/45/54/180294554.db2.gz SYABZCDYOOKLBC-QMMMGPOBSA-N 1 0 254.359 2.181 10 0 CEAERO CCCN(C(=O)N1CCCCC1)C1CC[NH2+]CC1 ZINC000091969428 180294577 /nfs/dbraw/zinc/29/45/77/180294577.db2.gz PJVLUBUTQKUMBD-UHFFFAOYSA-N 1 0 253.390 2.056 10 0 CEAERO C[NH2+]C1CCC(NC(=O)c2cc3ccccc3[nH]2)CC1 ZINC000091871830 180277877 /nfs/dbraw/zinc/27/78/77/180277877.db2.gz RCIGPFVWFVQQDN-UHFFFAOYSA-N 1 0 271.364 2.428 10 0 CEAERO C[NH2+]C1CCC(Nc2cccc(Cl)c2C(N)=O)CC1 ZINC000091873460 180278094 /nfs/dbraw/zinc/27/80/94/180278094.db2.gz NLRMBWKHIXZNOR-UHFFFAOYSA-N 1 0 281.787 2.381 10 0 CEAERO C[NH2+]C1CCC(Nc2ccc(Cl)cc2C(N)=O)CC1 ZINC000091873487 180278227 /nfs/dbraw/zinc/27/82/27/180278227.db2.gz YQYDZHGTEPBSCY-UHFFFAOYSA-N 1 0 281.787 2.381 10 0 CEAERO [NH3+]CC[C@H]1CN(C(=O)N2CCCC2)c2ccccc21 ZINC000091968520 180294687 /nfs/dbraw/zinc/29/46/87/180294687.db2.gz VRNJNOCGOCBAIZ-LBPRGKRZSA-N 1 0 259.353 2.155 10 0 CEAERO CCN(C(=O)N1CCCC1)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000091968565 180294690 /nfs/dbraw/zinc/29/46/90/180294690.db2.gz CVJFLZIKMMKJRD-QWHCGFSZSA-N 1 0 253.390 2.042 10 0 CEAERO C[C@@H]1CCC[C@](C[NH3+])(NC(=O)N2CCCCC2)C1 ZINC000091969821 180295062 /nfs/dbraw/zinc/29/50/62/180295062.db2.gz MLKUQRRTKVMRPQ-OCCSQVGLSA-N 1 0 253.390 2.090 10 0 CEAERO COc1ccc([C@H](O)C2(C[NH3+])Cc3ccccc3C2)cc1 ZINC000091908258 180284574 /nfs/dbraw/zinc/28/45/74/180284574.db2.gz OQAWKXBKILBLMD-KRWDZBQOSA-N 1 0 283.371 2.473 10 0 CEAERO [NH3+]CC1([C@H](O)c2cc3c(c(Cl)c2)OCO3)CCC1 ZINC000091909976 180284659 /nfs/dbraw/zinc/28/46/59/180284659.db2.gz QKXMANTZJXTTLV-GFCCVEGCSA-N 1 0 269.728 2.231 10 0 CEAERO [NH3+]CC1([C@@H](O)c2ccc(Cl)cc2)CCOCC1 ZINC000091909925 180284733 /nfs/dbraw/zinc/28/47/33/180284733.db2.gz XMPFESDMRHFOIG-LBPRGKRZSA-N 1 0 255.745 2.129 10 0 CEAERO [NH3+]C[C@@]1([C@H](O)c2ccoc2)CCc2ccccc2C1 ZINC000091912601 180285411 /nfs/dbraw/zinc/28/54/11/180285411.db2.gz NBMWBUDHRTUCMC-HZPDHXFCSA-N 1 0 257.333 2.447 10 0 CEAERO CC1(C)C[C@@](O)([C@]2(C[NH3+])CCc3ccccc32)CCO1 ZINC000091918943 180286610 /nfs/dbraw/zinc/28/66/10/180286610.db2.gz OGXWQSYNUFISMS-DLBZAZTESA-N 1 0 275.392 2.149 10 0 CEAERO C[C@@H]1CC[C@](O)([C@@]2(C[NH3+])COc3ccccc3C2)C1 ZINC000091919884 180286727 /nfs/dbraw/zinc/28/67/27/180286727.db2.gz LNPKAGHSWHJVIC-UHOFOFEASA-N 1 0 261.365 2.118 10 0 CEAERO CC[C@](C)(C[NH3+])[C@](C)(O)Cc1ccc(OC)c(OC)c1 ZINC000091919796 180286806 /nfs/dbraw/zinc/28/68/06/180286806.db2.gz DSZVVMIFMTXEFM-HZPDHXFCSA-N 1 0 281.396 2.372 10 0 CEAERO CC[C@]1(C)C[C@](O)(C2(C[NH3+])Cc3ccccc3C2)CCO1 ZINC000091919131 180286870 /nfs/dbraw/zinc/28/68/70/180286870.db2.gz WCTVIUVYUVHOLB-AEFFLSMTSA-N 1 0 289.419 2.441 10 0 CEAERO C[C@@H]1CCC[C@@](C[NH3+])(C2(O)CCC3(CC2)OCCO3)C1 ZINC000091924491 180287365 /nfs/dbraw/zinc/28/73/65/180287365.db2.gz VUVAYUZPTSRKEV-ZIAGYGMSSA-N 1 0 283.412 2.190 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(OC[C@H]2CN(C)CCO2)cc1 ZINC000092054170 180312856 /nfs/dbraw/zinc/31/28/56/180312856.db2.gz TXJOJXAACYMABS-CZUORRHYSA-N 1 0 278.396 2.067 10 0 CEAERO CCCC1CCC(C[NH3+])(OC[C@H]2CN(C)CCO2)CC1 ZINC000092053561 180313247 /nfs/dbraw/zinc/31/32/47/180313247.db2.gz LJOBYNMGTFZPHA-HWOWSKLDSA-N 1 0 284.444 2.021 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(C)cc1OC[C@H]1CN(C)CCO1 ZINC000092054644 180313894 /nfs/dbraw/zinc/31/38/94/180313894.db2.gz FKDCSYPGOBHAMU-HUUCEWRRSA-N 1 0 292.423 2.375 10 0 CEAERO CSc1cc(N)cc2c1ccn2C[C@H]1C[N@H+](C)CCO1 ZINC000092056209 180314585 /nfs/dbraw/zinc/31/45/85/180314585.db2.gz OUPSQXOIBMMYSF-GFCCVEGCSA-N 1 0 291.420 2.276 10 0 CEAERO CCC[NH2+]C1CCN(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000091972054 180295678 /nfs/dbraw/zinc/29/56/78/180295678.db2.gz HDASZPONMURMJJ-ZDUSSCGKSA-N 1 0 267.417 2.302 10 0 CEAERO C[C@H]1CCCN(C(=O)N(C)CC[C@H]2CCCC[NH2+]2)C1 ZINC000091973149 180296614 /nfs/dbraw/zinc/29/66/14/180296614.db2.gz UTHFHPDYEXQBTI-UONOGXRCSA-N 1 0 267.417 2.302 10 0 CEAERO C[C@@H]1CCCN(C(=O)N2[C@@H](C[NH3+])CCC[C@@H]2C)C1 ZINC000091991230 180299847 /nfs/dbraw/zinc/29/98/47/180299847.db2.gz WXBYSJCXEYNOOW-FRRDWIJNSA-N 1 0 253.390 2.040 10 0 CEAERO C[C@@H]1CCCN(C(=O)NCc2ccccc2C[NH3+])C1 ZINC000091990853 180300042 /nfs/dbraw/zinc/30/00/42/180300042.db2.gz CPPGBLFNNWXCPU-GFCCVEGCSA-N 1 0 261.369 2.087 10 0 CEAERO CC1CCN(C(=O)N2CCC[C@@H]2CCC[NH3+])CC1 ZINC000091993190 180300500 /nfs/dbraw/zinc/30/05/00/180300500.db2.gz JILUHBIKZNVXRW-ZDUSSCGKSA-N 1 0 253.390 2.042 10 0 CEAERO Cc1ccc(OCC(=O)OC(C)C)c(C[NH2+]CC(C)C)n1 ZINC000091996458 180302464 /nfs/dbraw/zinc/30/24/64/180302464.db2.gz PXRJVINLRFBSPM-UHFFFAOYSA-N 1 0 294.395 2.466 10 0 CEAERO Cc1ccc(OCc2cscn2)c(C[C@H](C)[NH3+])n1 ZINC000091999921 180303750 /nfs/dbraw/zinc/30/37/50/180303750.db2.gz QANLZHODZWKPLF-VIFPVBQESA-N 1 0 263.366 2.315 10 0 CEAERO Cc1ccc(OCc2cccnc2)c(C[C@H](C)[NH3+])n1 ZINC000091999837 180303909 /nfs/dbraw/zinc/30/39/09/180303909.db2.gz RDLKUZPITGHNAF-NSHDSACASA-N 1 0 257.337 2.254 10 0 CEAERO CCCNc1snnc1CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092002774 180304882 /nfs/dbraw/zinc/30/48/82/180304882.db2.gz ITHHFBJMYVZEGG-NEPJUHHUSA-N 1 0 295.456 2.029 10 0 CEAERO CCOc1cc(C[NH2+]C[C@H](C)N2CCCC2)ccc1O ZINC000092022221 180307386 /nfs/dbraw/zinc/30/73/86/180307386.db2.gz DQQMFDBMFFJLQV-ZDUSSCGKSA-N 1 0 278.396 2.365 10 0 CEAERO CCC[NH2+][C@@H](C)c1cccc(-n2ccc(C(=O)NC)n2)c1 ZINC000092024192 180308512 /nfs/dbraw/zinc/30/85/12/180308512.db2.gz PBBNJVCFXPTRCU-LBPRGKRZSA-N 1 0 286.379 2.293 10 0 CEAERO Cc1cc(N2CCOc3ccccc3C2)[nH+]cc1N ZINC000092027431 180309495 /nfs/dbraw/zinc/30/94/95/180309495.db2.gz YECJMRAYHCDHBF-UHFFFAOYSA-N 1 0 255.321 2.371 10 0 CEAERO CCCNS(=O)(=O)c1ccc(C[NH2+]CCC)cc1F ZINC000092115771 180327266 /nfs/dbraw/zinc/32/72/66/180327266.db2.gz OKZVOJOEOGLGEZ-UHFFFAOYSA-N 1 0 288.388 2.014 10 0 CEAERO COC(=O)c1ccc(Cl)c(NC(=O)C[NH2+]C(C)(C)C)c1 ZINC000105785435 186071338 /nfs/dbraw/zinc/07/13/38/186071338.db2.gz JTYDKAPMRNQUTH-UHFFFAOYSA-N 1 0 298.770 2.453 10 0 CEAERO CCN(C(=O)[C@@H](C)C[NH2+]C)[C@H](C)c1cccc(O)c1 ZINC000092134949 180332540 /nfs/dbraw/zinc/33/25/40/180332540.db2.gz ASIYPAGNVZWWCA-NWDGAFQWSA-N 1 0 264.369 2.157 10 0 CEAERO CN(c1cccnn1)C1CC[NH+](CCOC(C)(C)C)CC1 ZINC000105807367 186072724 /nfs/dbraw/zinc/07/27/24/186072724.db2.gz PVFQIXIKVDHCLB-UHFFFAOYSA-N 1 0 292.427 2.192 10 0 CEAERO CC[C@@H](CC[NH3+])CCc1nc(C(C)(C)OC)no1 ZINC000092138078 180333830 /nfs/dbraw/zinc/33/38/30/180333830.db2.gz ICHFVIFYYHPCGD-SNVBAGLBSA-N 1 0 255.362 2.259 10 0 CEAERO C[C@H]1C[NH+](CCc2nc3cc(N)ccc3[nH]2)C[C@@H]1C ZINC000092080484 180318633 /nfs/dbraw/zinc/31/86/33/180318633.db2.gz NHDNCVWVBFRGDJ-QWRGUYRKSA-N 1 0 258.369 2.275 10 0 CEAERO C[C@H]1CN(C(=O)C2(C[NH3+])CCCCCC2)C[C@@H]1C ZINC000092087362 180321081 /nfs/dbraw/zinc/32/10/81/180321081.db2.gz AFSSXPWHLLPHJG-STQMWFEESA-N 1 0 252.402 2.400 10 0 CEAERO CC(C)C[NH2+]Cc1ccc(N2C[C@H](C)[C@H](C)C2)nn1 ZINC000092088934 180321568 /nfs/dbraw/zinc/32/15/68/180321568.db2.gz ROIKLEWSAWZXHX-BETUJISGSA-N 1 0 262.401 2.314 10 0 CEAERO C[NH2+][C@H](C)c1cccc(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)c1 ZINC000092091234 180322490 /nfs/dbraw/zinc/32/24/90/180322490.db2.gz CRRCNUQTJSAJCD-RWMBFGLXSA-N 1 0 296.436 2.244 10 0 CEAERO CCc1ccc([C@@H](CN2C(=O)[C@H](C)[C@H](C)C2=O)[NH2+]C)cc1 ZINC000092094121 180322702 /nfs/dbraw/zinc/32/27/02/180322702.db2.gz JNILZPDNTOOZPZ-TYNCELHUSA-N 1 0 288.391 2.151 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)Nc2ccccc2OC(F)F)C1 ZINC000092201880 180342728 /nfs/dbraw/zinc/34/27/28/180342728.db2.gz SRVMULAFKNXWTN-IUCAKERBSA-N 1 0 268.263 2.130 10 0 CEAERO CC(C)OC(=O)c1ccc(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)cc1 ZINC000092202707 180343293 /nfs/dbraw/zinc/34/32/93/180343293.db2.gz GTCYOCDHZHMCKJ-QWHCGFSZSA-N 1 0 288.347 2.094 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)N(Cc2ccco2)C2CCCC2)C1 ZINC000092204930 180344215 /nfs/dbraw/zinc/34/42/15/180344215.db2.gz YSYBLWDYPSDBCA-CHWSQXEVSA-N 1 0 274.364 2.454 10 0 CEAERO CCC[C@H](C[NH3+])NC(=O)c1ccccc1SC ZINC000092232366 180348606 /nfs/dbraw/zinc/34/86/06/180348606.db2.gz FWXARDOEFHEUGP-SNVBAGLBSA-N 1 0 252.383 2.266 10 0 CEAERO O=C(NCC[C@@H]1CCC[NH2+]C1)[C@H]1Cc2ccccc2S1 ZINC000092232113 180348794 /nfs/dbraw/zinc/34/87/94/180348794.db2.gz DTZYOLJOOIHKJJ-SWLSCSKDSA-N 1 0 290.432 2.209 10 0 CEAERO CN(C(=O)[C@@H]1Cc2ccccc2S1)[C@@H]1CCC[C@H]1C[NH3+] ZINC000092232465 180349098 /nfs/dbraw/zinc/34/90/98/180349098.db2.gz ALXCHRLYIBVBKE-GUTXKFCHSA-N 1 0 290.432 2.289 10 0 CEAERO Cn1cc(C[NH2+]C[C@@H]2Cc3ccccc3S2)cn1 ZINC000092243032 180351369 /nfs/dbraw/zinc/35/13/69/180351369.db2.gz GAGGTRNICVAYIZ-ZDUSSCGKSA-N 1 0 259.378 2.227 10 0 CEAERO C[C@@H](C[NH3+])c1noc([C@H]2CSc3ccccc32)n1 ZINC000092240234 180351539 /nfs/dbraw/zinc/35/15/39/180351539.db2.gz UHDVXQBEJBKLIR-WPRPVWTQSA-N 1 0 261.350 2.369 10 0 CEAERO C[C@H]1CN(CCSc2ccccc2)CCC[NH2+]1 ZINC000092273075 180356738 /nfs/dbraw/zinc/35/67/38/180356738.db2.gz ZSOWWENJNSCENT-ZDUSSCGKSA-N 1 0 250.411 2.463 10 0 CEAERO CC(=O)[C@H]1CCC[N@H+](C[C@@H]2COc3ccccc32)C1 ZINC000092301865 180359223 /nfs/dbraw/zinc/35/92/23/180359223.db2.gz IFJOOZWJGVPPFF-UONOGXRCSA-N 1 0 259.349 2.464 10 0 CEAERO C[NH2+]C[C@@H]1CCCCN1C[C@@H]1COc2ccccc21 ZINC000092302577 180359559 /nfs/dbraw/zinc/35/95/59/180359559.db2.gz UGHMNCZQKGCZPC-KGLIPLIRSA-N 1 0 260.381 2.237 10 0 CEAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](CCOC(C)(C)C)C2)n1 ZINC000105885521 186082886 /nfs/dbraw/zinc/08/28/86/186082886.db2.gz UXDZGYHRVJONGN-HNNXBMFYSA-N 1 0 294.443 2.422 10 0 CEAERO c1ncn(C[C@@H]2CCC[N@@H+](CCOc3ccccc3)C2)n1 ZINC000105882806 186083470 /nfs/dbraw/zinc/08/34/70/186083470.db2.gz NYKGDWQSKOHRMB-OAHLLOKOSA-N 1 0 286.379 2.069 10 0 CEAERO COc1ccccc1Cc1noc([C@H]2C=C[C@H]([NH3+])C2)n1 ZINC000092181527 180339048 /nfs/dbraw/zinc/33/90/48/180339048.db2.gz XFHLEGCTCDDBKV-RYUDHWBXSA-N 1 0 271.320 2.040 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](c2nc(-c3ccc4nccnc4c3)no2)C1 ZINC000092181917 180339092 /nfs/dbraw/zinc/33/90/92/180339092.db2.gz LMCNMHCSLUCMGG-GHMZBOCLSA-N 1 0 279.303 2.051 10 0 CEAERO CCC[NH2+][C@H](CN1C(=O)C[C@H](C)C1=O)c1ccc(C)cc1 ZINC000105832467 186076143 /nfs/dbraw/zinc/07/61/43/186076143.db2.gz WEBWZYLDBHVBAT-DZGCQCFKSA-N 1 0 288.391 2.431 10 0 CEAERO CCOCC[N@@H+]1CCN(Cc2nc(C)c(C)o2)C[C@H]1CC ZINC000105838521 186077843 /nfs/dbraw/zinc/07/78/43/186077843.db2.gz HGQYLEVBJBSZKJ-OAHLLOKOSA-N 1 0 295.427 2.224 10 0 CEAERO Cc1ccc([C@@H](C[NH2+]C(C)C)N2CCOCC2)s1 ZINC000105918280 186088543 /nfs/dbraw/zinc/08/85/43/186088543.db2.gz IOEOJUZYECODAK-CYBMUJFWSA-N 1 0 268.426 2.428 10 0 CEAERO CC[NH2+]CCc1c(CC)nc(C[C@H]2CCCO2)nc1CC ZINC000092318580 180361546 /nfs/dbraw/zinc/36/15/46/180361546.db2.gz YGKKCIOBPHPYHF-CYBMUJFWSA-N 1 0 291.439 2.475 10 0 CEAERO CC[NH2+]CCc1c(CC)nc(C[C@@H]2CCCO2)nc1CC ZINC000092318578 180361650 /nfs/dbraw/zinc/36/16/50/180361650.db2.gz YGKKCIOBPHPYHF-ZDUSSCGKSA-N 1 0 291.439 2.475 10 0 CEAERO Cc1cnn([C@H]2CCC[N@H+](CCc3ccccn3)C2)c1 ZINC000105923477 186090849 /nfs/dbraw/zinc/09/08/49/186090849.db2.gz VATJGVMWLXYYNM-INIZCTEOSA-N 1 0 270.380 2.466 10 0 CEAERO CCc1nc(COC)nc(CC)c1CC[NH2+]C(C)C ZINC000092318771 180362005 /nfs/dbraw/zinc/36/20/05/180362005.db2.gz JZUJHIKBMLZWAJ-UHFFFAOYSA-N 1 0 265.401 2.288 10 0 CEAERO CC[NH2+]C[C@H](C)c1c(C)nn(-c2ccc(C)nn2)c1C ZINC000092322869 180362203 /nfs/dbraw/zinc/36/22/03/180362203.db2.gz UYMXLZLOLFTUEJ-JTQLQIEISA-N 1 0 273.384 2.301 10 0 CEAERO CC[C@@H]1CN(Cc2cccc(F)c2)CC[N@@H+]1CCOC ZINC000106115628 186102413 /nfs/dbraw/zinc/10/24/13/186102413.db2.gz MIFJYCGDZVZSLT-MRXNPFEDSA-N 1 0 280.387 2.368 10 0 CEAERO Cc1nn(C)c(C)c1Cn1ccc2c1CCC[C@H]2[NH3+] ZINC000092341764 180365897 /nfs/dbraw/zinc/36/58/97/180365897.db2.gz BXDJYULBRBATSJ-CQSZACIVSA-N 1 0 258.369 2.223 10 0 CEAERO CC[C@@H]1CN([C@@H](C)c2c(C)noc2C)CCC[NH2+]1 ZINC000092342342 180366010 /nfs/dbraw/zinc/36/60/10/180366010.db2.gz SGYVVMSBLNEVMA-WCQYABFASA-N 1 0 251.374 2.426 10 0 CEAERO CCOC(=O)[C@H](C[NH3+])Cc1cc(C)nc2ccccc12 ZINC000092344547 180366511 /nfs/dbraw/zinc/36/65/11/180366511.db2.gz VNMANUQHFOMGNV-ZDUSSCGKSA-N 1 0 272.348 2.224 10 0 CEAERO CN(CC[NH2+]C1CC1)Cc1ccnc2ccccc12 ZINC000092348463 180367063 /nfs/dbraw/zinc/36/70/63/180367063.db2.gz GPVNXULGIICJMQ-UHFFFAOYSA-N 1 0 255.365 2.419 10 0 CEAERO CCCC1(C(=O)Nc2ccnc(C)c2)CC[NH2+]CC1 ZINC000092349800 180367230 /nfs/dbraw/zinc/36/72/30/180367230.db2.gz RYGHSYRUCHOWBE-UHFFFAOYSA-N 1 0 261.369 2.498 10 0 CEAERO CNc1cccc(CN2CC[NH+](C(C)(C)C)CC2)n1 ZINC000092369765 180369947 /nfs/dbraw/zinc/36/99/47/180369947.db2.gz BAGVBOWIDNSJPK-UHFFFAOYSA-N 1 0 262.401 2.039 10 0 CEAERO COc1ccc(CN(C)Cc2cccc(NN)[nH+]2)cc1 ZINC000092369466 180370089 /nfs/dbraw/zinc/37/00/89/180370089.db2.gz DNJXFOFACGYJSV-UHFFFAOYSA-N 1 0 272.352 2.008 10 0 CEAERO COc1ccccc1CN(C)Cc1cccc(NN)[nH+]1 ZINC000092369489 180370523 /nfs/dbraw/zinc/37/05/23/180370523.db2.gz QRDMETUMUDFSRR-UHFFFAOYSA-N 1 0 272.352 2.008 10 0 CEAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CCC(=O)NC(C)C ZINC000105895758 186085902 /nfs/dbraw/zinc/08/59/02/186085902.db2.gz HSZPARRCLGZFFD-CQSZACIVSA-N 1 0 292.427 2.089 10 0 CEAERO COc1ccc2c(c1)[C@H](O)[C@H]([N@@H+]1CCOC(C)(C)C1)CC2 ZINC000092387808 180374723 /nfs/dbraw/zinc/37/47/23/180374723.db2.gz LQYFRHGLCFDHFW-CVEARBPZSA-N 1 0 291.391 2.154 10 0 CEAERO COc1ccc([C@@H]2C[NH2+][C@H](C(C)C)CO2)cc1OC ZINC000092403135 180378426 /nfs/dbraw/zinc/37/84/26/180378426.db2.gz QOQVJEFJJQYRLL-WFASDCNBSA-N 1 0 265.353 2.389 10 0 CEAERO CNc1cc[nH+]c(Cn2c(=O)ccc3ccccc32)c1 ZINC000092419856 180381903 /nfs/dbraw/zinc/38/19/03/180381903.db2.gz RQJDHYJKGOSTOB-UHFFFAOYSA-N 1 0 265.316 2.487 10 0 CEAERO CNc1cc[nH+]c(Cn2cc(C(F)(F)F)ccc2=O)c1 ZINC000092419812 180381977 /nfs/dbraw/zinc/38/19/77/180381977.db2.gz CZLDUBSLGPWMGL-UHFFFAOYSA-N 1 0 283.253 2.352 10 0 CEAERO CCCNc1cc[nH+]c(CN2CC[C@H](COC)C2)c1 ZINC000092419353 180382653 /nfs/dbraw/zinc/38/26/53/180382653.db2.gz RSRUQFDNTUEPTA-ZDUSSCGKSA-N 1 0 263.385 2.372 10 0 CEAERO COc1ccc2c(c1)[C@@](CN)([NH2+]CC(C)C)CCC2 ZINC000092384826 180373492 /nfs/dbraw/zinc/37/34/92/180373492.db2.gz DOGDAUAXPQNALW-MRXNPFEDSA-N 1 0 262.397 2.431 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@@H](OC[C@@H]1CCCO1)CC2 ZINC000092386470 180374102 /nfs/dbraw/zinc/37/41/02/180374102.db2.gz VNVQRMIVJRNHLX-BPUTZDHNSA-N 1 0 277.364 2.205 10 0 CEAERO Cc1cccc(CN2C[C@H](C3CC3)[NH2+]CC[C@@H]2C)n1 ZINC000092433827 180384504 /nfs/dbraw/zinc/38/45/04/180384504.db2.gz KHYHDJCVNNHMPS-XJKSGUPXSA-N 1 0 259.397 2.352 10 0 CEAERO CCc1[nH+]c2cc(N)ccc2n1CC(=O)N(CC)CC ZINC000107839315 186193849 /nfs/dbraw/zinc/19/38/49/186193849.db2.gz MWLALTNKGNYYLO-UHFFFAOYSA-N 1 0 274.368 2.049 10 0 CEAERO CC[C@@H](C)C[NH2+][C@@H]1CC(=O)N(C2CCCCC2)C1=O ZINC000107863012 186195611 /nfs/dbraw/zinc/19/56/11/186195611.db2.gz CWROIKQKSPWXSQ-DGCLKSJQSA-N 1 0 266.385 2.082 10 0 CEAERO Cc1cnc2c(c1)nc(N)n2C[C@@H](C)C[NH+]1CCCC1 ZINC000092558735 180405428 /nfs/dbraw/zinc/40/54/28/180405428.db2.gz VCDXCOUZHFVMRH-LBPRGKRZSA-N 1 0 273.384 2.054 10 0 CEAERO C[C@@H](C(=O)Nc1ccccc1)[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000107926359 186198018 /nfs/dbraw/zinc/19/80/18/186198018.db2.gz KPTULJFALCDZAS-YXQSOJMXSA-N 1 0 274.364 2.001 10 0 CEAERO CCCC[C@@H](C[NH3+])Nc1ccccc1S(=O)(=O)CC ZINC000130569800 365969490 /nfs/dbraw/zinc/96/94/90/365969490.db2.gz REMFKSYOUQAJJU-LBPRGKRZSA-N 1 0 284.425 2.410 10 0 CEAERO C[C@@H](C[NH+]1CCCCC1)n1c(N)nc2cccnc21 ZINC000092532864 180401244 /nfs/dbraw/zinc/40/12/44/180401244.db2.gz YEWIPLXGRDKVQR-NSHDSACASA-N 1 0 259.357 2.060 10 0 CEAERO CC[C@@H](C)N1C(=O)C[C@@H]([NH2+][C@@H](C)c2ccsc2)C1=O ZINC000108291632 186211146 /nfs/dbraw/zinc/21/11/46/186211146.db2.gz QDAXYPZJDCXSAB-JFGNBEQYSA-N 1 0 280.393 2.325 10 0 CEAERO CCCCOC[C@@H](O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625778791 350567475 /nfs/dbraw/zinc/56/74/75/350567475.db2.gz PJQUHEAVSRISMH-MJBXVCDLSA-N 1 0 273.442 2.134 10 0 CEAERO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)NS(C)(=O)=O)cc1C ZINC000109041141 186240896 /nfs/dbraw/zinc/24/08/96/186240896.db2.gz NVHMSQVLSOFSEB-CYBMUJFWSA-N 1 0 298.452 2.282 10 0 CEAERO COc1ccc(-c2noc([C@@H]3CCC[C@H]3[NH3+])n2)cc1OC ZINC000109505617 186257180 /nfs/dbraw/zinc/25/71/80/186257180.db2.gz IPCAHGOCALLXQC-GHMZBOCLSA-N 1 0 289.335 2.349 10 0 CEAERO CCc1ccc(-c2noc(C[C@H](COC)[NH2+]C)n2)cc1 ZINC000109505958 186257296 /nfs/dbraw/zinc/25/72/96/186257296.db2.gz JXRJGRUMGRZBDA-CYBMUJFWSA-N 1 0 275.352 2.076 10 0 CEAERO C[NH2+][C@H](C)[C@@H](C)c1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000109505705 186257313 /nfs/dbraw/zinc/25/73/13/186257313.db2.gz SDKJZMFOLSNHBZ-NXEZZACHSA-N 1 0 291.351 2.465 10 0 CEAERO CCC[NH2+][C@H]1CCC[C@H]1c1nc(-c2ncccn2)no1 ZINC000109505389 186257577 /nfs/dbraw/zinc/25/75/77/186257577.db2.gz AFBJMTGRJBUCGX-MNOVXSKESA-N 1 0 273.340 2.162 10 0 CEAERO CCC[NH2+][C@@H]1CCC[C@H]1c1nc(-c2ncccn2)no1 ZINC000109505386 186257678 /nfs/dbraw/zinc/25/76/78/186257678.db2.gz AFBJMTGRJBUCGX-GHMZBOCLSA-N 1 0 273.340 2.162 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1c1nc(CCc2ccccc2)no1 ZINC000109515487 186258194 /nfs/dbraw/zinc/25/81/94/186258194.db2.gz KFBMAVJYPHSBOV-QWHCGFSZSA-N 1 0 257.337 2.450 10 0 CEAERO Cc1ccc(Cc2noc(C[C@@H]([NH3+])C(C)C)n2)cc1 ZINC000109507720 186258388 /nfs/dbraw/zinc/25/83/88/186258388.db2.gz GCOYFQRKOWZASY-CYBMUJFWSA-N 1 0 259.353 2.495 10 0 CEAERO C[NH2+][C@H](C)CCc1nc(Cc2cccc(OC)c2)no1 ZINC000109513223 186258515 /nfs/dbraw/zinc/25/85/15/186258515.db2.gz ZQJGTUIOTQUDAU-LLVKDONJSA-N 1 0 275.352 2.210 10 0 CEAERO COC[C@@H]([NH3+])Cc1nc(-c2ccc3ccccc3c2)no1 ZINC000109509754 186258702 /nfs/dbraw/zinc/25/87/02/186258702.db2.gz HKQQAPHQBRZEGG-AWEZNQCLSA-N 1 0 283.331 2.406 10 0 CEAERO C[NH2+][C@H](Cc1nc(Cc2ccc(OC)cc2)no1)C(C)C ZINC000109520861 186259217 /nfs/dbraw/zinc/25/92/17/186259217.db2.gz CRRILIOHFSOTSN-CQSZACIVSA-N 1 0 289.379 2.456 10 0 CEAERO COc1cccc(Cc2nc(C3CC3)cc(NN)[nH+]2)c1 ZINC000109527401 186259827 /nfs/dbraw/zinc/25/98/27/186259827.db2.gz WXUYKYYEQZCOFG-UHFFFAOYSA-N 1 0 270.336 2.239 10 0 CEAERO COc1ccc(-c2nc(C3CC3)cc(NN)[nH+]2)cc1O ZINC000109528187 186259942 /nfs/dbraw/zinc/25/99/42/186259942.db2.gz IMYPSSXQDBOFTB-UHFFFAOYSA-N 1 0 272.308 2.021 10 0 CEAERO CCC[NH2+][C@H]1C(=O)Nc2cc(-n3ccc(C)n3)ccc21 ZINC000109573201 186263391 /nfs/dbraw/zinc/26/33/91/186263391.db2.gz LKASTGHELVXHNK-CQSZACIVSA-N 1 0 270.336 2.174 10 0 CEAERO CCC[NH2+][C@@H]1C(=O)Nc2cc(OC[C@H]3CCCO3)ccc21 ZINC000109573901 186263883 /nfs/dbraw/zinc/26/38/83/186263883.db2.gz RFKANESVCBQTQI-DOMZBBRYSA-N 1 0 290.363 2.237 10 0 CEAERO CCCCOCCOc1ccc2c(c1)NC(=O)[C@@H]2[NH2+]CC ZINC000109575255 186264007 /nfs/dbraw/zinc/26/40/07/186264007.db2.gz QTHBXIGEQXRVFF-OAHLLOKOSA-N 1 0 292.379 2.485 10 0 CEAERO [NH3+]Cc1cc(OC[C@@H]2CCCO2)c2ccccc2n1 ZINC000109590212 186264828 /nfs/dbraw/zinc/26/48/28/186264828.db2.gz OTPBIIQORDGNTP-LBPRGKRZSA-N 1 0 258.321 2.251 10 0 CEAERO C[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)c3ccccc3n2)C1 ZINC000109596288 186265702 /nfs/dbraw/zinc/26/57/02/186265702.db2.gz RRSXPAOJASUGKM-JTQLQIEISA-N 1 0 289.766 2.322 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1C(=S)NCc1ccc(F)cc1 ZINC000109671152 186268581 /nfs/dbraw/zinc/26/85/81/186268581.db2.gz CXQQPHLLWMUFRY-CQSZACIVSA-N 1 0 295.427 2.226 10 0 CEAERO CC[C@@H]([NH2+]CCc1nncn1C)c1ccc(OC)cc1 ZINC000109421094 186251181 /nfs/dbraw/zinc/25/11/81/186251181.db2.gz QIWJWDHMOGVHSF-CQSZACIVSA-N 1 0 274.368 2.107 10 0 CEAERO CCC[C@@H](C)CN1CC[NH+]([C@@H](CC)C(N)=S)CC1 ZINC000109469405 186254070 /nfs/dbraw/zinc/25/40/70/186254070.db2.gz OYJBZVTVBBHLDI-OLZOCXBDSA-N 1 0 271.474 2.105 10 0 CEAERO Cc1ccc(CN2CC[NH+]([C@H](C)C(N)=S)CC2)cc1C ZINC000109468168 186254382 /nfs/dbraw/zinc/25/43/82/186254382.db2.gz KZZFGIGJNBOYAO-CQSZACIVSA-N 1 0 291.464 2.096 10 0 CEAERO Cc1cc(-c2ccccc2)nc([C@H](C)N2CC[NH2+]CC2)n1 ZINC000109475741 186254900 /nfs/dbraw/zinc/25/49/00/186254900.db2.gz DFBMUPKQDGFDOL-AWEZNQCLSA-N 1 0 282.391 2.418 10 0 CEAERO C[NH+](C)[C@H]1CCN(c2nc(C(C)(C)C)c(CO)s2)C1 ZINC000110276173 186289388 /nfs/dbraw/zinc/28/93/88/186289388.db2.gz ZAAANTNXMIHELV-JTQLQIEISA-N 1 0 283.441 2.073 10 0 CEAERO C[NH+](C)[C@@H]1CCN(c2ccc(C(N)=S)cc2Cl)C1 ZINC000110278322 186289414 /nfs/dbraw/zinc/28/94/14/186289414.db2.gz KKLJPPKLQPBWEO-SNVBAGLBSA-N 1 0 283.828 2.115 10 0 CEAERO CC[NH+](CC)[C@H]1CCN(c2ccc(C(N)=S)cc2F)C1 ZINC000110278389 186289626 /nfs/dbraw/zinc/28/96/26/186289626.db2.gz WCZSGSRDZRWQRJ-LBPRGKRZSA-N 1 0 295.427 2.380 10 0 CEAERO C[NH2+][C@@H](C)Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000110445056 186296566 /nfs/dbraw/zinc/29/65/66/186296566.db2.gz USNAGDBPSHWFNN-LURJTMIESA-N 1 0 271.242 2.304 10 0 CEAERO CCN(C(=O)CC[C@H]([NH3+])c1ccccc1)[C@@H](C)COC ZINC000110460401 186297468 /nfs/dbraw/zinc/29/74/68/186297468.db2.gz RVOCSCZAMWTUGY-ZFWWWQNUSA-N 1 0 278.396 2.350 10 0 CEAERO CC[C@H]([NH3+])[C@@H](C)c1nc(Cc2nc(C)cs2)no1 ZINC000110470286 186298039 /nfs/dbraw/zinc/29/80/39/186298039.db2.gz QSUYFRLYBACGSQ-BDAKNGLRSA-N 1 0 266.370 2.266 10 0 CEAERO CCc1nc(Cc2ccccc2OC)[nH+]c(NN)c1C ZINC000110477495 186298745 /nfs/dbraw/zinc/29/87/45/186298745.db2.gz SPWFCTGRJYKRDK-UHFFFAOYSA-N 1 0 272.352 2.232 10 0 CEAERO CCC[NH2+][C@H](CC)[C@@H](C)c1nc(-c2cnccn2)no1 ZINC000110478828 186299117 /nfs/dbraw/zinc/29/91/17/186299117.db2.gz COSGUBKBVDZCMO-GHMZBOCLSA-N 1 0 275.356 2.408 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](O[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000110525586 186300842 /nfs/dbraw/zinc/30/08/42/186300842.db2.gz XLOKIHWMIVNVOD-MCIONIFRSA-N 1 0 253.317 2.410 10 0 CEAERO C[NH2+][C@H](CO[C@H]1CCOC1)c1cc2ccccc2o1 ZINC000110526858 186301393 /nfs/dbraw/zinc/30/13/93/186301393.db2.gz RSTGZZMMPGNFHL-QWHCGFSZSA-N 1 0 261.321 2.499 10 0 CEAERO [NH3+]CCc1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1 ZINC000110535790 186301751 /nfs/dbraw/zinc/30/17/51/186301751.db2.gz UZZCNJCXJXVALB-UHFFFAOYSA-N 1 0 280.331 2.316 10 0 CEAERO COc1ccc([C@@H](C)[NH3+])cc1CO[C@@H]1CCOC1 ZINC000110526944 186301905 /nfs/dbraw/zinc/30/19/05/186301905.db2.gz FRDASNCTWBDPBV-ZWNOBZJWSA-N 1 0 251.326 2.020 10 0 CEAERO CC[C@H]([NH3+])c1noc([C@H]2COc3ccccc3C2)n1 ZINC000110540880 186302603 /nfs/dbraw/zinc/30/26/03/186302603.db2.gz XUUXPZNAMPUYOY-MNOVXSKESA-N 1 0 259.309 2.198 10 0 CEAERO CCC[NH2+]Cc1nnc([C@H]2COc3ccccc3C2)o1 ZINC000110541147 186302661 /nfs/dbraw/zinc/30/26/61/186302661.db2.gz VNMBJXOQEJDRQY-GFCCVEGCSA-N 1 0 273.336 2.288 10 0 CEAERO CC[C@@H]1CO[C@@H](C)CN1C(=O)CC1CCC(C[NH3+])CC1 ZINC000110617445 186304981 /nfs/dbraw/zinc/30/49/81/186304981.db2.gz KKUZMRYNNAZPEO-VXGQWTEUSA-N 1 0 282.428 2.168 10 0 CEAERO [NH3+]Cc1ccc(CC(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000110613499 186305183 /nfs/dbraw/zinc/30/51/83/186305183.db2.gz HZTJSIOWRQXLJJ-SJORKVTESA-N 1 0 280.371 2.360 10 0 CEAERO COc1cc2c(cc1F)[nH+]c(N)n2C1CCOCC1 ZINC000110629646 186308042 /nfs/dbraw/zinc/30/80/42/186308042.db2.gz CCAHNUAXAVCDRY-UHFFFAOYSA-N 1 0 265.288 2.118 10 0 CEAERO CCN(C)[C@@H](C[NH3+])c1ccc(OC)c(OC)c1Cl ZINC000110827685 186327488 /nfs/dbraw/zinc/32/74/88/186327488.db2.gz DGNWUYZOGHHUGZ-JTQLQIEISA-N 1 0 272.776 2.309 10 0 CEAERO C[C@@H](Cc1cccs1)NC(=O)C[NH2+]C(C)(C)C ZINC000110839222 186328504 /nfs/dbraw/zinc/32/85/04/186328504.db2.gz NQUGSQSJLILLLE-JTQLQIEISA-N 1 0 254.399 2.183 10 0 CEAERO C[C@H]1C[C@H]([NH3+])CC[C@@H]1C(=O)N(C)CC1CCCC1 ZINC000110848221 186329233 /nfs/dbraw/zinc/32/92/33/186329233.db2.gz SFBJQEORFFTXDE-YUTCNCBUSA-N 1 0 252.402 2.399 10 0 CEAERO C[C@@H]1CCC[C@H](C(=O)N(C)CC2CCCC2)[C@@H]1[NH3+] ZINC000110848168 186329639 /nfs/dbraw/zinc/32/96/39/186329639.db2.gz XUOBEKSKMYJUHD-KWCYVHTRSA-N 1 0 252.402 2.399 10 0 CEAERO c1csc(CC[NH2+]CCSc2cnccn2)c1 ZINC000110915317 186332271 /nfs/dbraw/zinc/33/22/71/186332271.db2.gz SVYZRRHAYARMQE-UHFFFAOYSA-N 1 0 265.407 2.463 10 0 CEAERO CCN(C(=O)CC1=CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000110939829 186334382 /nfs/dbraw/zinc/33/43/82/186334382.db2.gz GASAVHZDSXWPOV-CQSZACIVSA-N 1 0 250.386 2.477 10 0 CEAERO CCN(CCOc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000110944268 186335371 /nfs/dbraw/zinc/33/53/71/186335371.db2.gz UBRGTLGZIKGNCB-CQSZACIVSA-N 1 0 266.360 2.278 10 0 CEAERO CCN(c1ncnc2ccsc21)[C@H]1CCC[NH2+]C1 ZINC000110946916 186335475 /nfs/dbraw/zinc/33/54/75/186335475.db2.gz MFOLGOZIISDYIC-JTQLQIEISA-N 1 0 262.382 2.270 10 0 CEAERO CCCN(c1ccc(C(=O)OCC)cn1)[C@@H]1CCC[NH2+]C1 ZINC000110948562 186335668 /nfs/dbraw/zinc/33/56/68/186335668.db2.gz SRCNOQOVWLBSNN-CQSZACIVSA-N 1 0 291.395 2.227 10 0 CEAERO CCCN(CC(=O)N[C@@H](C)CCC(C)C)[C@@H]1CCC[NH2+]C1 ZINC000110945646 186335762 /nfs/dbraw/zinc/33/57/62/186335762.db2.gz WFDGJMFLCQVYIQ-JKSUJKDBSA-N 1 0 297.487 2.391 10 0 CEAERO CCN(CC(=O)Nc1cccc(C)c1C)[C@@H]1CCC[NH2+]C1 ZINC000110943465 186335957 /nfs/dbraw/zinc/33/59/57/186335957.db2.gz WBXPGFJSFNYHGA-OAHLLOKOSA-N 1 0 289.423 2.316 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(C)cc1O[C@@H]1CCCCNC1=O ZINC000110959956 186336303 /nfs/dbraw/zinc/33/63/03/186336303.db2.gz REKVFULCJJBSNV-GXTWGEPZSA-N 1 0 276.380 2.323 10 0 CEAERO CC[N@@H+]1CCN(C(=O)c2c[nH]c3ccccc23)C[C@H]1C ZINC000110693613 186313203 /nfs/dbraw/zinc/31/32/03/186313203.db2.gz ALNCHUPOXPCBLR-GFCCVEGCSA-N 1 0 271.364 2.334 10 0 CEAERO C[N@@H+]1CCN(c2nc3ccc(N)cc3s2)CC1(C)C ZINC000110711328 186316227 /nfs/dbraw/zinc/31/62/27/186316227.db2.gz OPYMWBJTQKVSHX-UHFFFAOYSA-N 1 0 276.409 2.409 10 0 CEAERO CC[C@@H]1CN(Cc2cc([C@@H](C)O)ccc2OC)CC[N@@H+]1C ZINC000110736009 186317659 /nfs/dbraw/zinc/31/76/59/186317659.db2.gz PZOBGGCVDCFLNM-CZUORRHYSA-N 1 0 292.423 2.275 10 0 CEAERO COc1ccc(C)cc1[C@H](O)CN1CC[N@H+](C)C(C)(C)C1 ZINC000110736488 186319314 /nfs/dbraw/zinc/31/93/14/186319314.db2.gz YTKJSZVCPUFNOP-OAHLLOKOSA-N 1 0 292.423 2.063 10 0 CEAERO CC[C@@H]1CN(CCNc2ccc(C)cc2)CC[N@@H+]1C ZINC000110757613 186320643 /nfs/dbraw/zinc/32/06/43/186320643.db2.gz YVSIRUVBYFSGLT-MRXNPFEDSA-N 1 0 261.413 2.433 10 0 CEAERO CC[N@@H+]1CCN(CCNc2cccc(F)c2)C[C@@H]1C ZINC000110756823 186322039 /nfs/dbraw/zinc/32/20/39/186322039.db2.gz VWTPILQSKBXQID-ZDUSSCGKSA-N 1 0 265.376 2.264 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1sc(C)cc1C(=O)OCC ZINC000110777529 186322958 /nfs/dbraw/zinc/32/29/58/186322958.db2.gz CMDQISUGLYFQPH-SECBINFHSA-N 1 0 298.408 2.417 10 0 CEAERO Cc1cc2c(ncnc2OC[C@@H]2CCC[NH2+]C2)s1 ZINC000110779765 186324073 /nfs/dbraw/zinc/32/40/73/186324073.db2.gz NMVXJQPOLMOUPG-SNVBAGLBSA-N 1 0 263.366 2.378 10 0 CEAERO O=C(NCC[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1O ZINC000110791396 186324084 /nfs/dbraw/zinc/32/40/84/186324084.db2.gz MXIGCJMFAMYHBB-JTQLQIEISA-N 1 0 282.771 2.165 10 0 CEAERO Cc1nc(C[NH3+])sc1-c1nc(-c2cccc(C)n2)no1 ZINC000110791140 186324306 /nfs/dbraw/zinc/32/43/06/186324306.db2.gz HFYZEPXOLRTNQW-UHFFFAOYSA-N 1 0 287.348 2.331 10 0 CEAERO c1ccc2c(c1)nncc2NCC[C@H]1CCC[NH2+]C1 ZINC000110793287 186325032 /nfs/dbraw/zinc/32/50/32/186325032.db2.gz UVHAIOKVTXYJGN-GFCCVEGCSA-N 1 0 256.353 2.431 10 0 CEAERO O[C@H]1C[NH2+]C[C@@H]1Oc1ccc(Cl)c2ccccc12 ZINC000111060071 186348994 /nfs/dbraw/zinc/34/89/94/186348994.db2.gz FJCOIVBXUNEJJY-JSGCOSHPSA-N 1 0 263.724 2.205 10 0 CEAERO CS(=O)(=O)CCSCC[NH2+]C1CCCCCC1 ZINC000111007420 186342208 /nfs/dbraw/zinc/34/22/08/186342208.db2.gz NRSQJQFHXOZVRR-UHFFFAOYSA-N 1 0 279.471 2.077 10 0 CEAERO CCN(c1ccc(F)cc1C(N)=O)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000111027256 186345808 /nfs/dbraw/zinc/34/58/08/186345808.db2.gz XEQFGENOTGABLX-FUNVUKJBSA-N 1 0 291.370 2.034 10 0 CEAERO CN(Cc1cscn1)c1ccc(F)cc1C(N)=[NH2+] ZINC000111034418 186346364 /nfs/dbraw/zinc/34/63/64/186346364.db2.gz FAPTVLHDUQWHCN-UHFFFAOYSA-N 1 0 264.329 2.203 10 0 CEAERO CC1(C)COCCN1[C@@H](C[NH3+])c1cccc(F)c1F ZINC000111039503 186346461 /nfs/dbraw/zinc/34/64/61/186346461.db2.gz UWASZEKQOOIDLV-LBPRGKRZSA-N 1 0 270.323 2.075 10 0 CEAERO CC[C@H](C)[NH+]1CCN(c2ccc(F)cc2C(N)=S)CC1 ZINC000111032609 186346827 /nfs/dbraw/zinc/34/68/27/186346827.db2.gz GDVCJGHUYOVKPE-NSHDSACASA-N 1 0 295.427 2.380 10 0 CEAERO Cc1c[nH+]ccc1N[C@H]1CS(=O)(=O)c2ccccc21 ZINC000111042869 186347735 /nfs/dbraw/zinc/34/77/35/186347735.db2.gz BYNVTRBEEQBPCA-ZDUSSCGKSA-N 1 0 274.345 2.331 10 0 CEAERO COc1ccc([C@H]([C@@H](C)[NH3+])N(C)C[C@@H]2CCCOC2)cc1 ZINC000111154760 186360840 /nfs/dbraw/zinc/36/08/40/186360840.db2.gz SAVUHVVVUWZXHK-KEYYUXOJSA-N 1 0 292.423 2.442 10 0 CEAERO COc1ccccc1[C@@H]([C@@H](C)[NH3+])N(C)CC1CCOCC1 ZINC000111155908 186361368 /nfs/dbraw/zinc/36/13/68/186361368.db2.gz FBWRVMXKDHVSDO-CXAGYDPISA-N 1 0 292.423 2.442 10 0 CEAERO Cc1cc([C@@H](C[NH3+])N(C)C[C@@H]2CCCOC2)ccc1F ZINC000111157685 186361422 /nfs/dbraw/zinc/36/14/22/186361422.db2.gz ZEJOIUVWEQBXMT-XJKSGUPXSA-N 1 0 280.387 2.492 10 0 CEAERO Cc1ccc([C@H](C[NH3+])N(C)C[C@@H]2CCCOC2)cc1F ZINC000111158158 186362364 /nfs/dbraw/zinc/36/23/64/186362364.db2.gz PVWQWKTZIGRYHY-BBRMVZONSA-N 1 0 280.387 2.492 10 0 CEAERO C[C@H]([NH3+])c1ccc(NS(=O)(=O)C(C)(C)C)cc1 ZINC000111072180 186350637 /nfs/dbraw/zinc/35/06/37/186350637.db2.gz RUNXQKQVBKXRPR-VIFPVBQESA-N 1 0 256.371 2.247 10 0 CEAERO CCCOCCO[C@@H](c1cccnc1)[C@H]([NH3+])CC ZINC000111105991 186352659 /nfs/dbraw/zinc/35/26/59/186352659.db2.gz SDHRRAXBPSRCFJ-KGLIPLIRSA-N 1 0 252.358 2.303 10 0 CEAERO CCOCCN(CC)[C@@H](c1cccnc1)[C@@H]([NH3+])CC ZINC000111116566 186353195 /nfs/dbraw/zinc/35/31/95/186353195.db2.gz SURNWYGPLPZAFB-GJZGRUSLSA-N 1 0 265.401 2.218 10 0 CEAERO CCCOCCOC[C@@H]([NH2+]C)c1ccc2c(c1)OCO2 ZINC000111108588 186353502 /nfs/dbraw/zinc/35/35/02/186353502.db2.gz DECBTKRKQCJFLD-CYBMUJFWSA-N 1 0 281.352 2.119 10 0 CEAERO CCOCCN(CC)[C@@H](C[NH3+])c1cccc(C)c1 ZINC000111116602 186353638 /nfs/dbraw/zinc/35/36/38/186353638.db2.gz RIJZIYZJCXFNKP-HNNXBMFYSA-N 1 0 250.386 2.353 10 0 CEAERO CCOCCN(CC)[C@@H](C[NH3+])c1ccccc1F ZINC000111116662 186353810 /nfs/dbraw/zinc/35/38/10/186353810.db2.gz QIDLWUIBIOFHOP-AWEZNQCLSA-N 1 0 254.349 2.184 10 0 CEAERO CCOCC[N@H+](CC)C[C@H]1CNc2ccccc2O1 ZINC000111125452 186354556 /nfs/dbraw/zinc/35/45/56/186354556.db2.gz HJHLIVDSPRXZTQ-CYBMUJFWSA-N 1 0 264.369 2.218 10 0 CEAERO CCOCCN(CC)[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C ZINC000111118726 186354939 /nfs/dbraw/zinc/35/49/39/186354939.db2.gz CAJYEFRBXOCNAX-CVEARBPZSA-N 1 0 262.397 2.230 10 0 CEAERO CCOCCN(CC)[C@H]1COc2ccccc2[C@@H]1[NH2+]C ZINC000111118927 186355026 /nfs/dbraw/zinc/35/50/26/186355026.db2.gz VRHMOGSHJPNJMU-HOCLYGCPSA-N 1 0 278.396 2.067 10 0 CEAERO CCOCCN(CC)c1ncc(C[NH3+])cc1Cl ZINC000111123577 186355286 /nfs/dbraw/zinc/35/52/86/186355286.db2.gz XITMJXZDNYQBQC-UHFFFAOYSA-N 1 0 257.765 2.057 10 0 CEAERO CCOCCN(CC)C[C@H]([NH2+]C)c1ccc2c(c1)OCO2 ZINC000111119140 186355683 /nfs/dbraw/zinc/35/56/83/186355683.db2.gz TWILBNGMKUIETJ-AWEZNQCLSA-N 1 0 294.395 2.034 10 0 CEAERO CN(CC[NH+](C)C)CC(C)(C)[C@H](O)c1ccccc1 ZINC000111148572 186358653 /nfs/dbraw/zinc/35/86/53/186358653.db2.gz BMHHORDLLRMCOJ-OAHLLOKOSA-N 1 0 264.413 2.240 10 0 CEAERO CC[C@H]([NH3+])[C@@H](N(C)C[C@@H]1CCCOC1)C(F)(F)F ZINC000111154867 186359819 /nfs/dbraw/zinc/35/98/19/186359819.db2.gz AOJAEEKTZNIOPO-GARJFASQSA-N 1 0 268.323 2.013 10 0 CEAERO CN(C[C@@H]1CCCOC1)c1ccc(C(N)=[NH2+])cc1Cl ZINC000111164026 186364223 /nfs/dbraw/zinc/36/42/23/186364223.db2.gz BEHGOIZLZKXTMO-JTQLQIEISA-N 1 0 281.787 2.487 10 0 CEAERO C[NH2+]Cc1cnc(N(C)C[C@@H]2CCCOC2)c(Cl)c1 ZINC000111173772 186365374 /nfs/dbraw/zinc/36/53/74/186365374.db2.gz BVMDPBKUKFOVRC-NSHDSACASA-N 1 0 283.803 2.317 10 0 CEAERO [NH3+][C@H](c1ccc2c(c1)COC2)c1ccc2[nH]c(=O)oc2c1 ZINC000111305681 186394114 /nfs/dbraw/zinc/39/41/14/186394114.db2.gz IQGCOEZUPXXTPC-OAHLLOKOSA-N 1 0 282.299 2.199 10 0 CEAERO CC(C)(C)C1CC[NH+]([C@@H](CN)[C@@H]2CCCOC2)CC1 ZINC000111321126 186397089 /nfs/dbraw/zinc/39/70/89/186397089.db2.gz OAEWMKOEABEZFH-HIFRSBDPSA-N 1 0 268.445 2.498 10 0 CEAERO [NH3+]C[C@@H]([C@@H]1CCCOC1)N1CCC2(CCCC2)CC1 ZINC000111321270 186397711 /nfs/dbraw/zinc/39/77/11/186397711.db2.gz DNMMEBDBHHPMAL-CABCVRRESA-N 1 0 266.429 2.397 10 0 CEAERO CCOc1cccc(N(CC[NH3+])Cc2ccccc2)n1 ZINC000111236588 186372924 /nfs/dbraw/zinc/37/29/24/186372924.db2.gz LLXQDQZQYRSVEQ-UHFFFAOYSA-N 1 0 271.364 2.446 10 0 CEAERO Cc1ccc2nc(NC(=O)[C@H]3C[NH2+]C[C@H]3C)sc2c1 ZINC000111262948 186380136 /nfs/dbraw/zinc/38/01/36/186380136.db2.gz XXQBONKUDDTLPR-ZJUUUORDSA-N 1 0 275.377 2.399 10 0 CEAERO COc1cc(NC(=O)[C@@H]2C[NH2+]C[C@@H]2C)c(OC)cc1Cl ZINC000111262927 186380147 /nfs/dbraw/zinc/38/01/47/186380147.db2.gz BQHQBDUXXNECHR-DTWKUNHWSA-N 1 0 298.770 2.151 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000111263072 186380188 /nfs/dbraw/zinc/38/01/88/186380188.db2.gz CIQVRZXMFVYPCD-KWQFWETISA-N 1 0 272.270 2.499 10 0 CEAERO COc1c(C)ccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)c1C ZINC000111264472 186381503 /nfs/dbraw/zinc/38/15/03/186381503.db2.gz DQTZDAYRTZAREP-ZYHUDNBSSA-N 1 0 262.353 2.106 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(OC(F)F)cc1 ZINC000111263881 186382104 /nfs/dbraw/zinc/38/21/04/186382104.db2.gz LAZYWBAWPMYTMB-GZMMTYOYSA-N 1 0 270.279 2.082 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000111266963 186382351 /nfs/dbraw/zinc/38/23/51/186382351.db2.gz NJSFGXLAKMTVFG-DOMZBBRYSA-N 1 0 273.380 2.081 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc(N2CCCC2)c1 ZINC000111267498 186382632 /nfs/dbraw/zinc/38/26/32/186382632.db2.gz XGIBZPMTBRXHDA-DOMZBBRYSA-N 1 0 273.380 2.081 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000111267690 186382639 /nfs/dbraw/zinc/38/26/39/186382639.db2.gz RVUNHTRABHFZPE-WCQYABFASA-N 1 0 291.370 2.220 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CCC[C@@H]1c1cccs1 ZINC000111268053 186382926 /nfs/dbraw/zinc/38/29/26/186382926.db2.gz GATHRXPRXAGWCF-GRYCIOLGSA-N 1 0 264.394 2.267 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000111266968 186383212 /nfs/dbraw/zinc/38/32/12/186383212.db2.gz NJSFGXLAKMTVFG-SWLSCSKDSA-N 1 0 273.380 2.081 10 0 CEAERO Cc1ccc(CN(C(=O)[C@H]2C[NH2+]C[C@@H]2C)C2CC2)cc1 ZINC000111268813 186384289 /nfs/dbraw/zinc/38/42/89/186384289.db2.gz QTXDEIDTAFYJRD-BBRMVZONSA-N 1 0 272.392 2.342 10 0 CEAERO Cc1ccc(CN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)C(C)C)o1 ZINC000111269314 186384362 /nfs/dbraw/zinc/38/43/62/186384362.db2.gz OUTYQVYEKZDAQD-BXUZGUMPSA-N 1 0 264.369 2.181 10 0 CEAERO CC[C@@H](C)c1noc([C@H]2CCCN2C2CC[NH2+]CC2)n1 ZINC000111274514 186385772 /nfs/dbraw/zinc/38/57/72/186385772.db2.gz QPNXPWDLPFPRBY-DGCLKSJQSA-N 1 0 278.400 2.472 10 0 CEAERO Cc1ccc(NC(=O)c2ccc(C[NH3+])cn2)c(C)c1 ZINC000111281083 186388797 /nfs/dbraw/zinc/38/87/97/186388797.db2.gz BOKRBEBIFTZUFL-UHFFFAOYSA-N 1 0 255.321 2.409 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2ncnc(Cl)c2C)C1 ZINC000111297553 186392247 /nfs/dbraw/zinc/39/22/47/186392247.db2.gz ISYFQDHLCKDUMV-SNVBAGLBSA-N 1 0 254.765 2.335 10 0 CEAERO CCC(CC)N(C)c1nc2ccccn2c1CC[NH3+] ZINC000111479793 186422084 /nfs/dbraw/zinc/42/20/84/186422084.db2.gz CHKQNYKWPJAWDZ-UHFFFAOYSA-N 1 0 260.385 2.460 10 0 CEAERO CC[C@H]([NH3+])Cc1ccccc1N(C)[C@@H](C)COC ZINC000111502738 186424676 /nfs/dbraw/zinc/42/46/76/186424676.db2.gz BFKXTFNHYHMXPU-JSGCOSHPSA-N 1 0 250.386 2.438 10 0 CEAERO Cc1nn(C)c(Oc2ccc(C)nc2)c1C[C@H](C)[NH3+] ZINC000111523206 186425796 /nfs/dbraw/zinc/42/57/96/186425796.db2.gz SBHQZEFHLLBLAP-VIFPVBQESA-N 1 0 260.341 2.114 10 0 CEAERO CC[C@H]([NH3+])Cc1c(SCCOC)nc2sccn12 ZINC000111584266 186430091 /nfs/dbraw/zinc/43/00/91/186430091.db2.gz PDMTVMFWZFCYJJ-VIFPVBQESA-N 1 0 285.438 2.414 10 0 CEAERO CC1(C[NH2+]C[C@H](O)COC2CCCC2)CCCC1 ZINC000111621435 186432474 /nfs/dbraw/zinc/43/24/74/186432474.db2.gz KMUYBAYXMGJKTL-ZDUSSCGKSA-N 1 0 255.402 2.476 10 0 CEAERO CC(C)C[NH2+]C[C@H]1CCCCN1CC(=O)N1CCCCC1 ZINC000111704932 186447573 /nfs/dbraw/zinc/44/75/73/186447573.db2.gz QXAJVNFLVNFCAX-MRXNPFEDSA-N 1 0 295.471 2.099 10 0 CEAERO CC(C)C[NH2+]C[C@@H]1CCCCN1CC(=O)N1CCCCC1 ZINC000111704929 186447637 /nfs/dbraw/zinc/44/76/37/186447637.db2.gz QXAJVNFLVNFCAX-INIZCTEOSA-N 1 0 295.471 2.099 10 0 CEAERO C(OC1CC[NH2+]CC1)c1nnc(C2CCCCC2)[nH]1 ZINC000111757051 186453167 /nfs/dbraw/zinc/45/31/67/186453167.db2.gz IHYNIOFZWNARSU-UHFFFAOYSA-N 1 0 264.373 2.121 10 0 CEAERO Cc1ccc(C(=O)N[C@@H](C[NH3+])Cc2ccccc2)cc1F ZINC000111365862 186406942 /nfs/dbraw/zinc/40/69/42/186406942.db2.gz HUGHWZHVWLXJMF-OAHLLOKOSA-N 1 0 286.350 2.434 10 0 CEAERO C[C@H]1CCC[C@](C[NH3+])(NC(=O)Cc2ccc(F)cc2)C1 ZINC000111369753 186407242 /nfs/dbraw/zinc/40/72/42/186407242.db2.gz LGTAKDAZWIQYKE-LRDDRELGSA-N 1 0 278.371 2.392 10 0 CEAERO Cc1ccc(O)c(C(=O)NC2(C[NH3+])CCCCC2)c1 ZINC000111369226 186407246 /nfs/dbraw/zinc/40/72/46/186407246.db2.gz LFVRJHRQDFPTEG-UHFFFAOYSA-N 1 0 262.353 2.092 10 0 CEAERO C[C@H]1CCC[C@@](C[NH3+])(NC(=O)CCOc2ccccc2)C1 ZINC000111370009 186407544 /nfs/dbraw/zinc/40/75/44/186407544.db2.gz ZYCGJGKFVVSGEO-WMLDXEAASA-N 1 0 290.407 2.479 10 0 CEAERO CCC(CC)N(CC[NH3+])C(=O)c1ccc(C)nc1C ZINC000111368556 186407790 /nfs/dbraw/zinc/40/77/90/186407790.db2.gz NCQTZMWGQAMAKD-UHFFFAOYSA-N 1 0 263.385 2.288 10 0 CEAERO C[C@@H]([NH3+])c1cccc(NC(=O)N2[C@@H]3CC[C@H]2CC(O)C3)c1 ZINC000111399972 186413002 /nfs/dbraw/zinc/41/30/02/186413002.db2.gz GABMZVOQKDWUPL-FMVWZJFZSA-N 1 0 289.379 2.226 10 0 CEAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1ccsc1C(F)(F)F ZINC000628468775 351108793 /nfs/dbraw/zinc/10/87/93/351108793.db2.gz YWPVQHXVHXBYLF-DTWKUNHWSA-N 1 0 281.299 2.006 10 0 CEAERO O[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Br)cn2)C1 ZINC000069938655 363014997 /nfs/dbraw/zinc/01/49/97/363014997.db2.gz PNARKODXGCRHSG-CMPLNLGQSA-N 1 0 285.185 2.237 10 0 CEAERO CC(C)C(=O)N1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000113362846 186572992 /nfs/dbraw/zinc/57/29/92/186572992.db2.gz NUZJOQKQSPIFTJ-CQSZACIVSA-N 1 0 252.402 2.413 10 0 CEAERO CO[C@@H]1C[NH2+][C@](C)(c2nc(-c3ccccc3F)no2)C1 ZINC000629677883 351464791 /nfs/dbraw/zinc/46/47/91/351464791.db2.gz CMFDBCLNYQTTIW-XPTSAGLGSA-N 1 0 277.299 2.099 10 0 CEAERO CO[C@H]1C[NH2+][C@@](C)(c2nc(C3CCCCC3)no2)C1 ZINC000629678745 351465090 /nfs/dbraw/zinc/46/50/90/351465090.db2.gz DLLGUIOFADXWLN-BXUZGUMPSA-N 1 0 265.357 2.341 10 0 CEAERO CCCn1nc(C)c(-c2ncc(C[NH3+])s2)c1C ZINC000629736783 351492260 /nfs/dbraw/zinc/49/22/60/351492260.db2.gz WFGHOBUTIFQRQD-UHFFFAOYSA-N 1 0 250.371 2.492 10 0 CEAERO CSCC[NH2+]Cc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000070185332 363049963 /nfs/dbraw/zinc/04/99/63/363049963.db2.gz IHZDPXKVKOFBAY-UHFFFAOYSA-N 1 0 283.422 2.054 10 0 CEAERO CC[N@@H+]1CCC[C@H](Nc2nccc(C(F)(F)F)n2)C1 ZINC000070264377 363063884 /nfs/dbraw/zinc/06/38/84/363063884.db2.gz KJQDCUPVKGCLHD-VIFPVBQESA-N 1 0 274.290 2.392 10 0 CEAERO C[C@@H]1CC[C@@H](C)[NH+]1C[C@H](O)COCc1ccccc1 ZINC000131467929 366056890 /nfs/dbraw/zinc/05/68/90/366056890.db2.gz XPAUWWFPFWJDKN-FMKPAKJESA-N 1 0 263.381 2.437 10 0 CEAERO [NH3+][C@@H]1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1 ZINC000070458403 363086183 /nfs/dbraw/zinc/08/61/83/363086183.db2.gz BFTYTWKWTKNZNE-CYBMUJFWSA-N 1 0 272.327 2.210 10 0 CEAERO Cc1ccc(-c2cc(N3CCC[C@H]([NH3+])C3)n[nH]2)cc1 ZINC000070460128 363087565 /nfs/dbraw/zinc/08/75/65/363087565.db2.gz SXTASAXHMXEBOM-ZDUSSCGKSA-N 1 0 256.353 2.313 10 0 CEAERO CO[C@H]1CN(C(=O)CC2CCCCCC2)[C@@](C)(C[NH3+])C1 ZINC000630362943 351712561 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ZINC000185844994 368871937 /nfs/dbraw/zinc/87/19/37/368871937.db2.gz PGWHXTNJMRUOLU-OAHLLOKOSA-N 1 0 273.380 2.018 10 0 CEAERO CC(C)CC[C@H](C)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634736220 368849966 /nfs/dbraw/zinc/84/99/66/368849966.db2.gz DXWBIZQTGPUAID-YDHLFZDLSA-N 1 0 252.402 2.317 10 0 CEAERO O=C(NCCc1cccc(Cl)c1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634736462 368850895 /nfs/dbraw/zinc/85/08/95/368850895.db2.gz NZRCGUZPERURRL-BBRMVZONSA-N 1 0 292.810 2.388 10 0 CEAERO O=C(Nc1ccc2[nH]ccc2c1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634736936 368851049 /nfs/dbraw/zinc/85/10/49/368851049.db2.gz DVRSSXQSRMGIIG-LRDDRELGSA-N 1 0 269.348 2.496 10 0 CEAERO C[C@@H]1CN(Cc2cc(Cl)cc3c2OCC3)C[C@@H]1C[NH3+] ZINC000634999239 369033633 /nfs/dbraw/zinc/03/36/33/369033633.db2.gz RKNNJKRDAPQGGT-MFKMUULPSA-N 1 0 280.799 2.302 10 0 CEAERO C[C@@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)c1cnn(C)c1 ZINC000343528759 216810262 /nfs/dbraw/zinc/81/02/62/216810262.db2.gz BLVZHZCJMCVNDI-IJLUTSLNSA-N 1 0 251.374 2.274 10 0 CEAERO CC(C)Cc1nnc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)s1 ZINC000226300068 189771838 /nfs/dbraw/zinc/77/18/38/189771838.db2.gz RDDMPDZCQDQOLU-ZJUUUORDSA-N 1 0 282.413 2.193 10 0 CEAERO CN1CC[C@](O)(C[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)C1 ZINC000358259124 370977668 /nfs/dbraw/zinc/97/76/68/370977668.db2.gz UIZDSTFWNIHYRX-YCPHGPKFSA-N 1 0 268.445 2.248 10 0 CEAERO C[C@@H]1C[C@@H]1NC(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000246626017 370986299 /nfs/dbraw/zinc/98/62/99/370986299.db2.gz SJCFMKBZLVQBTP-VRKREXBASA-N 1 0 287.407 2.357 10 0 CEAERO CC1CCC(C[NH2+]C(C)(C)CS(C)(=O)=O)CC1 ZINC000358286890 370992579 /nfs/dbraw/zinc/99/25/79/370992579.db2.gz BNEWLBLQMZEKRM-UHFFFAOYSA-N 1 0 261.431 2.226 10 0 CEAERO COCCC[N@H+](CCO)Cc1ccc2ccccc2n1 ZINC000189898457 369577753 /nfs/dbraw/zinc/57/77/53/369577753.db2.gz IZCAGTGTQYNJMK-UHFFFAOYSA-N 1 0 274.364 2.066 10 0 CEAERO C[C@H](CNC(=O)[C@@H]1CCCO[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000190406657 369621699 /nfs/dbraw/zinc/62/16/99/369621699.db2.gz YKDSZKQTUYGWLW-RBSFLKMASA-N 1 0 282.428 2.038 10 0 CEAERO CCOC(=O)C1CCC(O)(C[N@H+](C)C[C@@H](C)CC)CC1 ZINC000191441771 369714275 /nfs/dbraw/zinc/71/42/75/369714275.db2.gz PWUYIDUFYSTUEM-HLIUYOAVSA-N 1 0 285.428 2.449 10 0 CEAERO CCCCCC[N@@H+]1CCC[C@H]([NH+](C)CC(=O)[O-])CC1 ZINC000192009139 369762434 /nfs/dbraw/zinc/76/24/34/369762434.db2.gz GQTJJCDARPRQPZ-AWEZNQCLSA-N 1 0 270.417 2.438 10 0 CEAERO CCCCOC[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)o1 ZINC000193241614 369909588 /nfs/dbraw/zinc/90/95/88/369909588.db2.gz GVXAVKNBJHSTPI-STQMWFEESA-N 1 0 255.358 2.416 10 0 CEAERO CCCCOC[C@@H](O)C[N@H+](C)Cc1ccccc1OC ZINC000193248270 369911766 /nfs/dbraw/zinc/91/17/66/369911766.db2.gz HYRIOBJZGDXLOV-HNNXBMFYSA-N 1 0 281.396 2.305 10 0 CEAERO CCc1ccc(O)c(C(=O)N2CCN3CCCC[C@H]3C2)c1 ZINC000195451033 370131973 /nfs/dbraw/zinc/13/19/73/370131973.db2.gz INDQIVIINHDYDM-AWEZNQCLSA-N 1 0 288.391 2.265 10 0 CEAERO COC[C@]1(C(=O)N[C@@H](C)c2cccs2)CCCC[NH2+]1 ZINC000637884211 370146199 /nfs/dbraw/zinc/14/61/99/370146199.db2.gz BBTJPPNOVVQSIN-FZMZJTMJSA-N 1 0 282.409 2.084 10 0 CEAERO CC[NH2+][C@H](C)C(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000637886370 370147487 /nfs/dbraw/zinc/14/74/87/370147487.db2.gz JUTUKAIWACZJQD-RKDXNWHRSA-N 1 0 256.296 2.140 10 0 CEAERO CNc1cccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000638117483 370314277 /nfs/dbraw/zinc/31/42/77/370314277.db2.gz UZEYCZIXTXYYPD-DOMZBBRYSA-N 1 0 273.380 2.037 10 0 CEAERO C[C@@H](CC(=O)N(C)[C@@H]1CCC[NH2+]CC1)C(F)(F)F ZINC000638192836 370367375 /nfs/dbraw/zinc/36/73/75/370367375.db2.gz LDCMTKZPQPZBIM-VHSXEESVSA-N 1 0 266.307 2.175 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)c1ccc(C)c(C(F)(F)F)c1 ZINC000638221062 370385245 /nfs/dbraw/zinc/38/52/45/370385245.db2.gz FPQJJNFQZADNJX-SECBINFHSA-N 1 0 274.286 2.352 10 0 CEAERO C[C@H]([NH3+])[C@H]1CCCN(c2nc(C(F)(F)F)ns2)C1 ZINC000228790291 370413315 /nfs/dbraw/zinc/41/33/15/370413315.db2.gz OAYKUOMXACHKKX-BQBZGAKWSA-N 1 0 280.319 2.121 10 0 CEAERO COc1ccc(OC)c(CN(C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000231464180 370480415 /nfs/dbraw/zinc/48/04/15/370480415.db2.gz VOYDMZOLTZNOIF-CQSZACIVSA-N 1 0 278.396 2.278 10 0 CEAERO [NH3+][C@@H]1CC[C@H](C(=O)NCC(C2CCC2)C2CCC2)C1 ZINC000638455901 370544026 /nfs/dbraw/zinc/54/40/26/370544026.db2.gz FOVATAGSPDFVKM-UONOGXRCSA-N 1 0 264.413 2.446 10 0 CEAERO CC[C@H](C)c1ccc(S(=O)(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000234019336 370527575 /nfs/dbraw/zinc/52/75/75/370527575.db2.gz ODTHHHPOPDFGFP-ZOWXZIJZSA-N 1 0 296.436 2.168 10 0 CEAERO CC1CC(C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000638547564 370602899 /nfs/dbraw/zinc/60/28/99/370602899.db2.gz GGMKRFJETKKJRS-LXKPXOPUSA-N 1 0 278.318 2.018 10 0 CEAERO Cc1cc(Br)cc(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000235356455 370562281 /nfs/dbraw/zinc/56/22/81/370562281.db2.gz VQIBGPCTXBEWBZ-SKDRFNHKSA-N 1 0 297.196 2.177 10 0 CEAERO Cc1cc(N2CC[C@@](C)(C[NH3+])C2)ncc1Br ZINC000235851960 370579572 /nfs/dbraw/zinc/57/95/72/370579572.db2.gz FQMVIPFKISHDKQ-LBPRGKRZSA-N 1 0 284.201 2.328 10 0 CEAERO CCCN(CC(C)C)C(=O)C1(CCOC)CC[NH2+]CC1 ZINC000638597195 370627129 /nfs/dbraw/zinc/62/71/29/370627129.db2.gz VOIYTFMYBYIODK-UHFFFAOYSA-N 1 0 284.444 2.287 10 0 CEAERO CCC(F)(F)C(C)(C)CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000638597992 370628042 /nfs/dbraw/zinc/62/80/42/370628042.db2.gz LMOUPJIGFXVVPR-VHSXEESVSA-N 1 0 262.344 2.302 10 0 CEAERO C[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000247012146 371047125 /nfs/dbraw/zinc/04/71/25/371047125.db2.gz OQQDICDFPBYOTI-TZMCWYRMSA-N 1 0 296.361 2.432 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cnc(C)s1 ZINC000247026120 371048354 /nfs/dbraw/zinc/04/83/54/371048354.db2.gz TUJYZDZBUOAZPD-RYUDHWBXSA-N 1 0 279.409 2.150 10 0 CEAERO C[C@H]1C[C@H](NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C[C@@H](C)C1 ZINC000246757483 371006336 /nfs/dbraw/zinc/00/63/36/371006336.db2.gz AGFMSQULQKPGBP-CBBWQLFWSA-N 1 0 279.428 2.301 10 0 CEAERO C[C@@H]1CC(C[NH2+]CCCc2cnn(C)c2)C[C@@H](C)O1 ZINC000639135117 371013831 /nfs/dbraw/zinc/01/38/31/371013831.db2.gz GHSIPAHOFOHCQJ-CHWSQXEVSA-N 1 0 265.401 2.146 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(C(C)C)n[nH]1 ZINC000246841120 371020524 /nfs/dbraw/zinc/02/05/24/371020524.db2.gz BQFFVXTZZATDFD-STQMWFEESA-N 1 0 290.411 2.232 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1cccc(O)c1 ZINC000246868102 371022723 /nfs/dbraw/zinc/02/27/23/371022723.db2.gz CWOYGQDNTJSHDS-GJZGRUSLSA-N 1 0 288.391 2.020 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1noc2ccccc21 ZINC000246957284 371037729 /nfs/dbraw/zinc/03/77/29/371037729.db2.gz DHNVGNAQZMMAQT-OLZOCXBDSA-N 1 0 299.374 2.065 10 0 CEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CC2CCCC2)C1 ZINC000247352957 371097876 /nfs/dbraw/zinc/09/78/76/371097876.db2.gz ODABDNLPDGKFSW-GXTWGEPZSA-N 1 0 252.402 2.412 10 0 CEAERO CSc1cc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)ccn1 ZINC000247189813 371073482 /nfs/dbraw/zinc/07/34/82/371073482.db2.gz LGGHUOGJHMNBHY-AAEUAGOBSA-N 1 0 291.420 2.112 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCc1ccccc1 ZINC000247199881 371075385 /nfs/dbraw/zinc/07/53/85/371075385.db2.gz LOAQKQMNVVZUSA-ZBFHGGJFSA-N 1 0 287.407 2.107 10 0 CEAERO CCN1CCC[C@@H]([NH2+][C@@H](COC)Cc2ccccc2)C1 ZINC000247254620 371083026 /nfs/dbraw/zinc/08/30/26/371083026.db2.gz ZXZSMJSOLDBQPE-IAGOWNOFSA-N 1 0 276.424 2.318 10 0 CEAERO CCN1CCC[C@H]([NH2+][C@@H](COC)Cc2ccccc2)C1 ZINC000247254067 371083463 /nfs/dbraw/zinc/08/34/63/371083463.db2.gz ZXZSMJSOLDBQPE-DLBZAZTESA-N 1 0 276.424 2.318 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@H]1Cc2ccccc21 ZINC000247313816 371091166 /nfs/dbraw/zinc/09/11/66/371091166.db2.gz OFUJHUUEUKCFHZ-BMFZPTHFSA-N 1 0 299.418 2.204 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1Cc2ccccc21 ZINC000247313823 371091550 /nfs/dbraw/zinc/09/15/50/371091550.db2.gz OFUJHUUEUKCFHZ-FVQBIDKESA-N 1 0 299.418 2.204 10 0 CEAERO Cc1cccc(OCC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000247346625 371096468 /nfs/dbraw/zinc/09/64/68/371096468.db2.gz NUJCXRKUWMKFMD-ZBFHGGJFSA-N 1 0 290.407 2.219 10 0 CEAERO COC[C@@H](C)[N@@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000247475234 371113217 /nfs/dbraw/zinc/11/32/17/371113217.db2.gz JPHKUBITUQOYES-MFKMUULPSA-N 1 0 251.374 2.209 10 0 CEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2[nH]nc3ccccc32)C1 ZINC000247485209 371114321 /nfs/dbraw/zinc/11/43/21/371114321.db2.gz WLMFCWLWFPLOKC-SMDDNHRTSA-N 1 0 286.379 2.021 10 0 CEAERO CC[C@@H]1CN(Cc2cccc(F)c2F)CC[N@@H+]1C[C@H](C)O ZINC000247561418 371125654 /nfs/dbraw/zinc/12/56/54/371125654.db2.gz GAZXBZXGWWLCNK-GXTWGEPZSA-N 1 0 298.377 2.242 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1csnc1C ZINC000248402785 371187560 /nfs/dbraw/zinc/18/75/60/371187560.db2.gz NTAVVBJURUZJLX-NEPJUHHUSA-N 1 0 279.409 2.150 10 0 CEAERO CO[C@@H](C)C[N@@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000248428351 371193143 /nfs/dbraw/zinc/19/31/43/371193143.db2.gz PAWUQLSOVDGCIP-GWCFXTLKSA-N 1 0 251.374 2.209 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCOC(C)C ZINC000248374816 371182819 /nfs/dbraw/zinc/18/28/19/371182819.db2.gz UGSJUYTZCBAVEJ-GJZGRUSLSA-N 1 0 282.428 2.277 10 0 CEAERO C[C@@H](Cc1ccccc1)CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000248587669 371217587 /nfs/dbraw/zinc/21/75/87/371217587.db2.gz QKQGWDPRNOVQRK-RDJZCZTQSA-N 1 0 276.424 2.128 10 0 CEAERO Cc1nc(N2C[C@H](C[NH3+])C[C@@H]2C)ccc1Br ZINC000235669341 189829984 /nfs/dbraw/zinc/82/99/84/189829984.db2.gz XJKAHVUAVFOKOP-WPRPVWTQSA-N 1 0 284.201 2.326 10 0 CEAERO C[C@H]([NH2+]CC(=O)N1c2ccccc2C[C@H]1C)[C@H]1CCCO1 ZINC000248852417 371255586 /nfs/dbraw/zinc/25/55/86/371255586.db2.gz HJHGZQJHCIBAKB-DVOMOZLQSA-N 1 0 288.391 2.121 10 0 CEAERO C[C@@H](CCN1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000249037051 371284901 /nfs/dbraw/zinc/28/49/01/371284901.db2.gz SWQRLIDPJOOYQO-RDJZCZTQSA-N 1 0 276.424 2.443 10 0 CEAERO CC[C@@](C)(O)C[N@@H+]1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000249079780 371292029 /nfs/dbraw/zinc/29/20/29/371292029.db2.gz CJUJRIUELWLBNX-GOEBONIOSA-N 1 0 277.412 2.285 10 0 CEAERO C[C@H]1CSCC[N@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000249101150 371294572 /nfs/dbraw/zinc/29/45/72/371294572.db2.gz URVNGPWLZCOYLI-GDBMZVCRSA-N 1 0 295.448 2.249 10 0 CEAERO C[C@@H]1COCC[C@H]1[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000249117609 371296397 /nfs/dbraw/zinc/29/63/97/371296397.db2.gz SQNYJOYXOXYMBS-FVQBIDKESA-N 1 0 262.397 2.304 10 0 CEAERO CC(C)([NH3+])CNC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000236618603 189835473 /nfs/dbraw/zinc/83/54/73/189835473.db2.gz LNIFHSXQHRDLLA-NEPJUHHUSA-N 1 0 266.772 2.297 10 0 CEAERO Cc1csc(CNC[C@H]2[NH2+]CCCC2(C)C)n1 ZINC000235925409 189831725 /nfs/dbraw/zinc/83/17/25/189831725.db2.gz UBPKDGMUQJCRRS-LLVKDONJSA-N 1 0 253.415 2.319 10 0 CEAERO CSC[C@H](O)C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000249483492 371325469 /nfs/dbraw/zinc/32/54/69/371325469.db2.gz WGCWGRFXZRIVJN-ARFHVFGLSA-N 1 0 295.448 2.298 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCC[C@H](C)C2)C1 ZINC000249810132 371364732 /nfs/dbraw/zinc/36/47/32/371364732.db2.gz YILFHYFAUKXOFU-IHRRRGAJSA-N 1 0 267.417 2.349 10 0 CEAERO COc1cccc([C@@H](C)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000249827567 371365184 /nfs/dbraw/zinc/36/51/84/371365184.db2.gz LSHGKBGHSBBWMB-HIFRSBDPSA-N 1 0 288.391 2.105 10 0 CEAERO CN1CC[C@@H]([NH3+])[C@H]1c1ccccc1Br ZINC000250617980 371387773 /nfs/dbraw/zinc/38/77/73/371387773.db2.gz OLMDBAOYGNVZBS-GHMZBOCLSA-N 1 0 255.159 2.153 10 0 CEAERO CCN1CCC[C@H]([NH2+][C@H]2CCO[C@@H](C(C)C)C2)C1 ZINC000250241040 371381456 /nfs/dbraw/zinc/38/14/56/371381456.db2.gz HHSQHDALPATEMF-SOUVJXGZSA-N 1 0 254.418 2.264 10 0 CEAERO Cc1cccc(CN2C[C@@H]3CCCC[N@H+]3C[C@H]2C)n1 ZINC000252661611 371463368 /nfs/dbraw/zinc/46/33/68/371463368.db2.gz NAMMOCIQNAIJEN-ZBFHGGJFSA-N 1 0 259.397 2.449 10 0 CEAERO CCC[C@H](C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](CC)C1)C(C)C ZINC000252735432 371475325 /nfs/dbraw/zinc/47/53/25/371475325.db2.gz MRSWATSCGDYUDM-XHSDSOJGSA-N 1 0 298.471 2.362 10 0 CEAERO CCCCO[C@H](C)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1CC ZINC000253548850 371527563 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ZINC000261583733 371662444 /nfs/dbraw/zinc/66/24/44/371662444.db2.gz RWYVVAVPRIGAOG-SECBINFHSA-N 1 0 270.402 2.319 10 0 CEAERO Cc1ccc(NC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000261583627 371663012 /nfs/dbraw/zinc/66/30/12/371663012.db2.gz HIHFVSRXXKBNAV-UBHSHLNASA-N 1 0 259.353 2.196 10 0 CEAERO CCCOc1ccc(OCCN2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000261646580 371690516 /nfs/dbraw/zinc/69/05/16/371690516.db2.gz PGRYAODQMHXTLT-XJKSGUPXSA-N 1 0 278.396 2.133 10 0 CEAERO C[C@@H]1C[C@H](O)CC[N@@H+]1CCCOCc1ccccc1 ZINC000639939554 371690604 /nfs/dbraw/zinc/69/06/04/371690604.db2.gz GOEZYZNJHONLRF-GDBMZVCRSA-N 1 0 263.381 2.439 10 0 CEAERO CC(C)[C@@H](c1ccccc1)N(C)Cc1noc(CN)n1 ZINC000261661235 371695764 /nfs/dbraw/zinc/69/57/64/371695764.db2.gz GYVPNJZEZQKNOD-HNNXBMFYSA-N 1 0 274.368 2.357 10 0 CEAERO C[C@H]([NH3+])CC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000261874910 371756310 /nfs/dbraw/zinc/75/63/10/371756310.db2.gz RPVGBWOUOXQYEM-ONGXEEELSA-N 1 0 274.286 2.014 10 0 CEAERO 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RDIOSZHIZJYGKR-DOMZBBRYSA-N 1 0 255.365 2.322 10 0 CEAERO [NH3+]C[C@H]1CCCN1Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000262082681 371819570 /nfs/dbraw/zinc/81/95/70/371819570.db2.gz FJGUDYFBQOKVIL-NVXWUHKLSA-N 1 0 290.407 2.168 10 0 CEAERO CC(C)(C)Cc1cc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)n[nH]1 ZINC000262259506 371844087 /nfs/dbraw/zinc/84/40/87/371844087.db2.gz GBGUNECIDVNFAO-QWRGUYRKSA-N 1 0 278.400 2.454 10 0 CEAERO COC[C@H]([NH3+])C(=O)N[C@@H](C)c1cccc(Cl)c1Cl ZINC000262299405 371848778 /nfs/dbraw/zinc/84/87/78/371848778.db2.gz NSKYLHOCGZSWID-XVKPBYJWSA-N 1 0 291.178 2.144 10 0 CEAERO CCC(CC)(NC(=O)[C@@H]([NH3+])COC)c1ccc(Cl)cc1 ZINC000262615050 371885635 /nfs/dbraw/zinc/88/56/35/371885635.db2.gz ZAFIAHUPVOKOBE-ZDUSSCGKSA-N 1 0 298.814 2.445 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+][C@@H]2CC(C)(C)C[C@H]2C)C1 ZINC000263453166 371937850 /nfs/dbraw/zinc/93/78/50/371937850.db2.gz AGPRZSMMURCZFW-BLYZHGLHSA-N 1 0 282.428 2.338 10 0 CEAERO Cc1ccc([C@H]([NH3+])C(=O)NC[C@@H]2CCO[C@H]2C(C)C)cc1 ZINC000262655067 371892731 /nfs/dbraw/zinc/89/27/31/371892731.db2.gz MEOVHZIZZYRIPQ-JYJNAYRXSA-N 1 0 290.407 2.172 10 0 CEAERO CSCC[C@H]([NH3+])C(=O)N[C@@H](C)CCc1ccc(C)o1 ZINC000262717599 371900516 /nfs/dbraw/zinc/90/05/16/371900516.db2.gz WHWADGPNALMBPB-GWCFXTLKSA-N 1 0 284.425 2.106 10 0 CEAERO C[NH2+]CCCNC(=O)[C@@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000262754222 371906704 /nfs/dbraw/zinc/90/67/04/371906704.db2.gz OGFMEFYYXMSVFW-CVEARBPZSA-N 1 0 290.407 2.188 10 0 CEAERO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000262927508 371924529 /nfs/dbraw/zinc/92/45/29/371924529.db2.gz SIPBEGZCSOKHLF-VDERGJSUSA-N 1 0 272.392 2.355 10 0 CEAERO Cc1cccc(CSCC(=O)N[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000237643614 189885549 /nfs/dbraw/zinc/88/55/49/189885549.db2.gz KREWMIMRJWWSGZ-HUUCEWRRSA-N 1 0 292.448 2.472 10 0 CEAERO CC1([NH3+])CCN(c2ncccc2C(F)(F)F)CC1 ZINC000643029460 372920680 /nfs/dbraw/zinc/92/06/80/372920680.db2.gz WMBZRZWKQJVEET-UHFFFAOYSA-N 1 0 259.275 2.418 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)NC1C2CC3CC(C2)CC1C3 ZINC000054307189 541886098 /nfs/dbraw/zinc/88/60/98/541886098.db2.gz BPWOKRIOUYBLPV-PQJKGVAHSA-N 1 0 276.424 2.317 10 0 CEAERO C[C@H](c1cccc(Cl)c1)N(C)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643633602 373226337 /nfs/dbraw/zinc/22/63/37/373226337.db2.gz NDPDYRLCNFANQJ-YPMHNXCESA-N 1 0 296.798 2.095 10 0 CEAERO C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CC[C@@H]([NH3+])[C@H]2C)o1 ZINC000643590500 373207903 /nfs/dbraw/zinc/20/79/03/373207903.db2.gz HRESMSNASNTWGR-MHDGFBEUSA-N 1 0 276.380 2.284 10 0 CEAERO COC[C@@]1(C(=O)Nc2ccc3ncsc3c2)CCC[NH2+]1 ZINC000643645757 373229649 /nfs/dbraw/zinc/22/96/49/373229649.db2.gz FGURLEVVJKYDCZ-CQSZACIVSA-N 1 0 291.376 2.003 10 0 CEAERO CC1(C)C[NH2+][C@@H]1C(=O)N[C@H]1CCCc2ccccc21 ZINC000643987651 373326209 /nfs/dbraw/zinc/32/62/09/373326209.db2.gz BHNJENDJVNASKE-UONOGXRCSA-N 1 0 258.365 2.178 10 0 CEAERO Cc1ccc(CCC(=O)NC[C@H]2CC[NH2+]C2)cc1Cl ZINC000644108981 373412202 /nfs/dbraw/zinc/41/22/02/373412202.db2.gz QAJDWWCVQKIMLI-ZDUSSCGKSA-N 1 0 280.799 2.307 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1cccc(F)c1 ZINC000247522159 189939905 /nfs/dbraw/zinc/93/99/05/189939905.db2.gz WWCYZZVAUYVWSC-WFASDCNBSA-N 1 0 276.355 2.063 10 0 CEAERO C[C@H](Cc1ccccc1F)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000248833811 189953280 /nfs/dbraw/zinc/95/32/80/189953280.db2.gz CCEZYKMNTFOYFB-TYNCELHUSA-N 1 0 278.371 2.261 10 0 CEAERO CCOC(=O)CC[NH+]1CCC(c2nccs2)CC1 ZINC000373993278 374463914 /nfs/dbraw/zinc/46/39/14/374463914.db2.gz QGGXUHTXXHAAIA-UHFFFAOYSA-N 1 0 268.382 2.276 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000165240266 541984140 /nfs/dbraw/zinc/98/41/40/541984140.db2.gz HXCVGKHFSIMWIW-XHDPSFHLSA-N 1 0 284.350 2.336 10 0 CEAERO [NH3+][C@@H]1CN(c2nc(C3CC3)ns2)C[C@H]1c1ccccc1 ZINC000380908787 375167735 /nfs/dbraw/zinc/16/77/35/375167735.db2.gz IUANOWICXMYGIT-QWHCGFSZSA-N 1 0 286.404 2.347 10 0 CEAERO COC(=O)[C@@H]1CC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000381738970 375178337 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KPKBBDWRAJSKLD-GFCCVEGCSA-N 1 0 296.374 2.216 10 0 CEAERO OC[C@@H]1CCC[N@@H+]1C[C@H]1CCCN1c1ccncc1Cl ZINC000301696508 379297394 /nfs/dbraw/zinc/29/73/94/379297394.db2.gz BHJRCOABSICYDO-OLZOCXBDSA-N 1 0 295.814 2.161 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)c1nccc(C(F)(F)F)n1 ZINC000267021580 190297650 /nfs/dbraw/zinc/29/76/50/190297650.db2.gz JRYIWQJAPLROQO-JTQLQIEISA-N 1 0 288.317 2.416 10 0 CEAERO C[C@H]1C[C@H](O)C[N@H+](Cc2cnc3ccccc3c2)C1 ZINC000334745551 207004867 /nfs/dbraw/zinc/00/48/67/207004867.db2.gz HXIYLHAUALQAMQ-WFASDCNBSA-N 1 0 256.349 2.438 10 0 CEAERO C[C@H]([NH2+]CC(=O)NCC1CCC1)c1cccs1 ZINC000182545912 542282388 /nfs/dbraw/zinc/28/23/88/542282388.db2.gz JMSNDHUIMYQUHG-JTQLQIEISA-N 1 0 252.383 2.315 10 0 CEAERO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C1CCCCC1)[C@H]1CCCO1 ZINC000183170153 542287905 /nfs/dbraw/zinc/28/79/05/542287905.db2.gz PCCHYOAKNSPMBC-VNHYZAJKSA-N 1 0 282.428 2.323 10 0 CEAERO CC1(CNC(=O)N2CC[C@H]([NH3+])C(C)(C)C2)CCCC1 ZINC000334919669 207292522 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184615397 /nfs/dbraw/zinc/61/53/97/184615397.db2.gz ZHBISXOYSDPLDW-UHFFFAOYSA-N 1 0 288.388 2.094 10 0 CEAERO CCC[C@@H](C)N(C)S(=O)(=O)c1ccsc1C[NH3+] ZINC000088964795 184615887 /nfs/dbraw/zinc/61/58/87/184615887.db2.gz AKPOIBMURCQEGU-SECBINFHSA-N 1 0 276.427 2.016 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN(CC2C(C)(C)C2(C)C)C1=O ZINC000092818976 184629299 /nfs/dbraw/zinc/62/92/99/184629299.db2.gz JJJZDOMXSXZPIR-LLVKDONJSA-N 1 0 252.402 2.268 10 0 CEAERO O=S1(=O)CCC2(CC[NH2+]C[C@H]2Cc2ccccc2)CC1 ZINC000092691139 184621247 /nfs/dbraw/zinc/62/12/47/184621247.db2.gz ALLHWFJPXJJGHS-OAHLLOKOSA-N 1 0 293.432 2.034 10 0 CEAERO NC(=[NH2+])c1cc2ccccc2nc1SC1COC1 ZINC000092711443 184622329 /nfs/dbraw/zinc/62/23/29/184622329.db2.gz JJUJWLSOFMESMV-UHFFFAOYSA-N 1 0 259.334 2.010 10 0 CEAERO CC(C)n1ncc2cc(N[C@@H]3CC[C@@H]([NH3+])C3)cnc21 ZINC000093205620 184655192 /nfs/dbraw/zinc/65/51/92/184655192.db2.gz FZWCFDVAYVVKGH-VXGBXAGGSA-N 1 0 259.357 2.304 10 0 CEAERO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]C2CCC(O)CC2)C1 ZINC000093205246 184655206 /nfs/dbraw/zinc/65/52/06/184655206.db2.gz XSDNMWMJVQUPOS-QPPOZKHWSA-N 1 0 298.427 2.325 10 0 CEAERO [NH3+][C@@H]1CCC[C@H](Nc2ccccc2N2CCCC2=O)C1 ZINC000093210511 184655674 /nfs/dbraw/zinc/65/56/74/184655674.db2.gz NRFLQGSRSPGHGA-OLZOCXBDSA-N 1 0 273.380 2.495 10 0 CEAERO Cc1ccccc1[C@H](CCS(C)(=O)=O)C[NH2+]C1CC1 ZINC000093106629 184650034 /nfs/dbraw/zinc/65/00/34/184650034.db2.gz ZVMHRSKQXWUFKM-CYBMUJFWSA-N 1 0 281.421 2.265 10 0 CEAERO CC[NH2+]C[C@H](Cc1ncnn1C)c1cccc(C)c1 ZINC000093125230 184650889 /nfs/dbraw/zinc/65/08/89/184650889.db2.gz PXFUMIAVGOSZDC-AWEZNQCLSA-N 1 0 258.369 2.059 10 0 CEAERO CC[NH2+]C[C@@H](CCS(=O)(=O)CC)c1cccc(F)c1 ZINC000093164191 184652742 /nfs/dbraw/zinc/65/27/42/184652742.db2.gz KHCPLGSSGPCWLA-CYBMUJFWSA-N 1 0 287.400 2.344 10 0 CEAERO C[C@H](C[NH2+]C[C@@H]1CCCO1)N(C)CCc1cccs1 ZINC000093271933 184659930 /nfs/dbraw/zinc/65/99/30/184659930.db2.gz ZHJRFHPLTOURKC-KGLIPLIRSA-N 1 0 282.453 2.380 10 0 CEAERO C[C@H](CCO)C[NH2+][C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000093208861 184655967 /nfs/dbraw/zinc/65/59/67/184655967.db2.gz WFBPJKSEQTYUAJ-UPJWGTAASA-N 1 0 286.416 2.040 10 0 CEAERO CNC(=O)c1cc(N[C@H]2CCC[C@@H]([NH3+])C2)ccc1Cl ZINC000093214907 184656330 /nfs/dbraw/zinc/65/63/30/184656330.db2.gz JQFVZGUCJPRETK-ZJUUUORDSA-N 1 0 281.787 2.381 10 0 CEAERO O=C(c1coc(Br)c1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000335063879 207572051 /nfs/dbraw/zinc/57/20/51/207572051.db2.gz XOUOGTAVPIDDHD-GFCCVEGCSA-N 1 0 299.168 2.010 10 0 CEAERO Cc1cc(C)c(S(=O)(=O)N[C@H]2CCCC[C@H]2[NH3+])c(C)c1 ZINC000038050553 291822881 /nfs/dbraw/zinc/82/28/81/291822881.db2.gz JMUIEZBBNHJQAM-KGLIPLIRSA-N 1 0 296.436 2.160 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)N(C)[C@@H](C)CC(C)C ZINC000177708402 285239312 /nfs/dbraw/zinc/23/93/12/285239312.db2.gz QBKAFSCIUILPQX-JKSUJKDBSA-N 1 0 297.487 2.296 10 0 CEAERO CCN1C(=[NH2+])NC[C@@]1(C)c1ccc(F)cc1Cl ZINC000093357885 184667176 /nfs/dbraw/zinc/66/71/76/184667176.db2.gz ZOZPVSUSSPZCQO-LBPRGKRZSA-N 1 0 255.724 2.345 10 0 CEAERO COc1ncccc1CN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000093515619 184686849 /nfs/dbraw/zinc/68/68/49/184686849.db2.gz ALMOJKNDHGWJIO-DZGCQCFKSA-N 1 0 277.412 2.491 10 0 CEAERO [NH3+]CC1CCC(C(=O)N2CCc3sccc3C2)CC1 ZINC000093424652 184673286 /nfs/dbraw/zinc/67/32/86/184673286.db2.gz SWJYQJRJFRMCOR-UHFFFAOYSA-N 1 0 278.421 2.398 10 0 CEAERO C[C@H]1CN(C(=O)C2CCC(C[NH3+])CC2)C[C@H](C)S1 ZINC000093425902 184674073 /nfs/dbraw/zinc/67/40/73/184674073.db2.gz UMMFCAQQHWVVHA-ZSVAQUKISA-N 1 0 270.442 2.104 10 0 CEAERO FC(F)(F)CN[C@@H]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000093468595 184679555 /nfs/dbraw/zinc/67/95/55/184679555.db2.gz HZUBPKZDKNYPOG-OUAUKWLOSA-N 1 0 250.308 2.449 10 0 CEAERO COC(=O)c1coc(C[NH2+]CC2C[C@@H](C)O[C@H](C)C2)c1 ZINC000281286475 195180990 /nfs/dbraw/zinc/18/09/90/195180990.db2.gz OTCFPOBJPXHYSS-GHMZBOCLSA-N 1 0 281.352 2.359 10 0 CEAERO CC(C)CS(=O)(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000081928312 177900430 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Cc1cc(C)c([C@H](C)[NH2+][C@@H](C)CS(C)(=O)=O)c(C)n1 ZINC000081901587 177886175 /nfs/dbraw/zinc/88/61/75/177886175.db2.gz CPLALGDZLHRSDO-AAEUAGOBSA-N 1 0 284.425 2.091 10 0 CEAERO C[NH2+][C@H](C)c1ccc(OC)c(CSCC(=O)OC)c1 ZINC000081794352 177861346 /nfs/dbraw/zinc/86/13/46/177861346.db2.gz LHZJXLNWNVMMIG-SNVBAGLBSA-N 1 0 283.393 2.382 10 0 CEAERO C[NH2+][C@H]1CCOC[C@@H]1Sc1nc2ccccc2o1 ZINC000081868916 177869070 /nfs/dbraw/zinc/86/90/70/177869070.db2.gz IVGNUOZLUUSRTA-JQWIXIFHSA-N 1 0 264.350 2.297 10 0 CEAERO C[NH2+][C@H]1CCC[C@@H]1Sc1nnnn1C1CCCC1 ZINC000081866627 177866320 /nfs/dbraw/zinc/86/63/20/177866320.db2.gz VADYXBKBMHMQFY-QWRGUYRKSA-N 1 0 267.402 2.021 10 0 CEAERO NC(=O)[C@@]1([NH2+]C2CCCC2)CCC[C@H](C2CC2)C1 ZINC000081643279 177835376 /nfs/dbraw/zinc/83/53/76/177835376.db2.gz BJPINSBOYBPTGI-SWLSCSKDSA-N 1 0 250.386 2.343 10 0 CEAERO COC[C@H]1CCN(CC[NH2+]Cc2sccc2C)C1 ZINC000081119213 177775051 /nfs/dbraw/zinc/77/50/51/177775051.db2.gz WOBTVXPWTCUWMI-ZDUSSCGKSA-N 1 0 268.426 2.114 10 0 CEAERO CC[C@](C)(CO)[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000080898349 177724488 /nfs/dbraw/zinc/72/44/88/177724488.db2.gz XFESXIDOKXIXLQ-QWHCGFSZSA-N 1 0 257.761 2.124 10 0 CEAERO NC(=[NH2+])[C@H](CSc1ncnc2[nH]cnc21)c1ccccc1 ZINC000080795265 177707875 /nfs/dbraw/zinc/70/78/75/177707875.db2.gz KDYCWGLFWUYZTE-SNVBAGLBSA-N 1 0 298.375 2.165 10 0 CEAERO [NH3+]C[C@H](CN1CCc2ccccc2C1=O)c1ccccc1 ZINC000080784604 177706453 /nfs/dbraw/zinc/70/64/53/177706453.db2.gz IQYRMEPISFKHKV-MRXNPFEDSA-N 1 0 280.371 2.427 10 0 CEAERO CCC[NH2+]Cc1cccc2c1ccn2CCC(=O)NC ZINC000080336553 177643713 /nfs/dbraw/zinc/64/37/13/177643713.db2.gz CGAYSSGDFXRHGV-UHFFFAOYSA-N 1 0 273.380 2.277 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)c1nccs1 ZINC000080269716 177634599 /nfs/dbraw/zinc/63/45/99/177634599.db2.gz WHVQQWLMBKGWOR-RHYQMDGZSA-N 1 0 279.409 2.241 10 0 CEAERO CC[NH+](CC)CC[C@H]1CCC[C@@]1([NH2+]C1CC1)C(=O)[O-] ZINC000093583389 184692901 /nfs/dbraw/zinc/69/29/01/184692901.db2.gz STUVRLANPOCQLN-DOMZBBRYSA-N 1 0 268.401 2.094 10 0 CEAERO CCC[NH2+][C@]1(CO)CCC[C@@H]1CCn1cc(C)cn1 ZINC000093618801 184696933 /nfs/dbraw/zinc/69/69/33/184696933.db2.gz NJHJZSINNBHPQF-CABCVRRESA-N 1 0 265.401 2.112 10 0 CEAERO C[NH2+][C@]1(CO)CCC[C@H]1CCOc1ccccc1F ZINC000093621259 184697480 /nfs/dbraw/zinc/69/74/80/184697480.db2.gz PFRHZBYFIKHOLH-WFASDCNBSA-N 1 0 267.344 2.345 10 0 CEAERO CCc1ccc(N(C)[C@@H](C[NH3+])c2cnn(C)c2C)cc1 ZINC000093650721 184702979 /nfs/dbraw/zinc/70/29/79/184702979.db2.gz XMBIRCVVBRNZFY-INIZCTEOSA-N 1 0 272.396 2.427 10 0 CEAERO CO[C@@H](C)[C@@H]([NH3+])Cc1ccn(C2CCCCC2)n1 ZINC000093689967 184706460 /nfs/dbraw/zinc/70/64/60/184706460.db2.gz DSXZXKIPNPMOEE-FZMZJTMJSA-N 1 0 251.374 2.293 10 0 CEAERO CC[NH2+][C@H](Cc1ccn([C@@H](C)CC)n1)[C@@H](C)OC ZINC000093690653 184707591 /nfs/dbraw/zinc/70/75/91/184707591.db2.gz AMWHOQNHBLUMTL-OUCADQQQSA-N 1 0 253.390 2.410 10 0 CEAERO CC[NH2+]Cc1cccc(OCC(C)(C)C(=O)OC)c1 ZINC000093714323 184708565 /nfs/dbraw/zinc/70/85/65/184708565.db2.gz RSNKMMSPHDDFST-UHFFFAOYSA-N 1 0 265.353 2.374 10 0 CEAERO CCOC(=O)[C@@]1(NC(C)C)CCC[C@H]([N@H+](C)C2CC2)C1 ZINC000093749670 184713044 /nfs/dbraw/zinc/71/30/44/184713044.db2.gz KXSHPZGZFYJOJK-GOEBONIOSA-N 1 0 282.428 2.323 10 0 CEAERO C[NH2+][C@]1(CO)CCC[C@@H](Oc2ccc(C)cc2OC)C1 ZINC000093785705 184721957 /nfs/dbraw/zinc/72/19/57/184721957.db2.gz CIVXLYVHFIXVEY-CZUORRHYSA-N 1 0 279.380 2.276 10 0 CEAERO Cc1nc(Cl)c(OCC(C)(C)[NH+](C)C)nc1C ZINC000093955061 184745788 /nfs/dbraw/zinc/74/57/88/184745788.db2.gz UHDMLTDSOGZSNZ-UHFFFAOYSA-N 1 0 257.765 2.466 10 0 CEAERO CN(CC1CC[NH2+]CC1)C(=O)/C=C/c1ccccc1 ZINC000094022041 184750473 /nfs/dbraw/zinc/75/04/73/184750473.db2.gz WFMMCBYACDZMTP-BQYQJAHWSA-N 1 0 258.365 2.158 10 0 CEAERO O=C(CCC(F)(F)F)N(CC1CC[NH2+]CC1)C1CC1 ZINC000094023282 184751001 /nfs/dbraw/zinc/75/10/01/184751001.db2.gz ZYPAGYYVZQKOKF-UHFFFAOYSA-N 1 0 278.318 2.320 10 0 CEAERO CCN(CC1CC[NH2+]CC1)c1ccc(C(N)=O)cc1Cl ZINC000094043544 184752068 /nfs/dbraw/zinc/75/20/68/184752068.db2.gz LMHOHAZXEAWMOA-UHFFFAOYSA-N 1 0 295.814 2.265 10 0 CEAERO CCC[C@@H](Cc1nc(-c2ccc(F)cn2)no1)[NH2+]C ZINC000094051134 184752385 /nfs/dbraw/zinc/75/23/85/184752385.db2.gz SBMYTCQSBTUQJO-JTQLQIEISA-N 1 0 264.304 2.201 10 0 CEAERO CCn1ccnc1C[C@@H](O)[C@](C)(CC)[NH+]1CCCCC1 ZINC000094144530 184756533 /nfs/dbraw/zinc/75/65/33/184756533.db2.gz JWWHXUXRIKQXGP-ZBFHGGJFSA-N 1 0 279.428 2.461 10 0 CEAERO CCCn1ccnc1C[C@@H](CCCOC)[NH2+]CC ZINC000094160841 184757550 /nfs/dbraw/zinc/75/75/50/184757550.db2.gz RKBUHNWHYBISDO-CYBMUJFWSA-N 1 0 253.390 2.240 10 0 CEAERO Cn1ccnc1C[C@@H]([NH3+])CSC1CCCCC1 ZINC000094161108 184758043 /nfs/dbraw/zinc/75/80/43/184758043.db2.gz JTDBDUIMNMHXOJ-LLVKDONJSA-N 1 0 253.415 2.356 10 0 CEAERO CC[C@](C)([NH3+])C(=O)N(Cc1ccc(C)o1)C(C)C ZINC000094235266 184767384 /nfs/dbraw/zinc/76/73/84/184767384.db2.gz NWSWDOMWQXFLRY-AWEZNQCLSA-N 1 0 252.358 2.452 10 0 CEAERO CCN(CC)c1ccc(NC(=O)C([NH3+])(CC)CC)cn1 ZINC000094244018 184769156 /nfs/dbraw/zinc/76/91/56/184769156.db2.gz VFPIOWIDUVQKGD-UHFFFAOYSA-N 1 0 278.400 2.384 10 0 CEAERO Cc1cscc1-c1nc(C(C)(C)N2CC[NH2+]CC2)no1 ZINC000094249228 184769736 /nfs/dbraw/zinc/76/97/36/184769736.db2.gz GXHHPLLBNRJLJG-UHFFFAOYSA-N 1 0 292.408 2.247 10 0 CEAERO COCC1CC[NH+]([C@@H]2CCCC(C)(C)[C@H]2O)CC1 ZINC000094280528 184774993 /nfs/dbraw/zinc/77/49/93/184774993.db2.gz UOPDBLLZYRTVQQ-KGLIPLIRSA-N 1 0 255.402 2.284 10 0 CEAERO CC1(C)CC[C@@](C[NH3+])(CCCOCC(F)(F)F)[C@@H]1O ZINC000094315004 184779380 /nfs/dbraw/zinc/77/93/80/184779380.db2.gz SSPVOGAKAJBZCE-ZYHUDNBSSA-N 1 0 283.334 2.472 10 0 CEAERO C[C@@H]1CN(CC(=O)Nc2ccc(Cl)cc2F)CC[C@@H]1[NH3+] ZINC000094341770 184785912 /nfs/dbraw/zinc/78/59/12/184785912.db2.gz FWAIKGPHCGNHFD-SKDRFNHKSA-N 1 0 299.777 2.087 10 0 CEAERO CSC[C@H](C)C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000094373110 184791025 /nfs/dbraw/zinc/79/10/25/184791025.db2.gz VTHSCIZOKUGLJW-OLZOCXBDSA-N 1 0 273.442 2.303 10 0 CEAERO C[NH2+][C@H](Cc1ccccn1)[C@H]1CCOC2(CCOCC2)C1 ZINC000094399428 184793162 /nfs/dbraw/zinc/79/31/62/184793162.db2.gz LMIPHSKSVXYVTR-GOEBONIOSA-N 1 0 290.407 2.188 10 0 CEAERO CC(C)([C@H](O)[C@H]1CCOC2(CCOCC2)C1)[NH+]1CCCC1 ZINC000094396732 184793444 /nfs/dbraw/zinc/79/34/44/184793444.db2.gz NGRFUDLDEVYAAA-LSDHHAIUSA-N 1 0 297.439 2.198 10 0 CEAERO CC[NH+](CC)CC[C@@H](O)[C@H]1CCOC2(CCOCC2)C1 ZINC000094396965 184793448 /nfs/dbraw/zinc/79/34/48/184793448.db2.gz XVFMXXGRSKEXME-LSDHHAIUSA-N 1 0 285.428 2.055 10 0 CEAERO [NH3+][C@H](c1ccccn1)[C@H]1CCOC2(CCOCC2)C1 ZINC000094397940 184793457 /nfs/dbraw/zinc/79/34/57/184793457.db2.gz YJPFIGAYCRJVDH-JSGCOSHPSA-N 1 0 262.353 2.057 10 0 CEAERO COCCC[C@@H]([NH3+])[C@H]1CCOC2(CCSCC2)C1 ZINC000094403922 184793615 /nfs/dbraw/zinc/79/36/15/184793615.db2.gz NWZZJFDKSSDIAP-QWHCGFSZSA-N 1 0 273.442 2.433 10 0 CEAERO CC[C@@H]([NH3+])Cc1cnn([C@@H]2CCOC3(CCC3)C2)c1 ZINC000094413269 184794556 /nfs/dbraw/zinc/79/45/56/184794556.db2.gz HRRNFQCTCKLLBE-ZIAGYGMSSA-N 1 0 263.385 2.437 10 0 CEAERO Cc1nn([C@H]2CCOC3(CCC3)C2)c(C)c1CC[NH3+] ZINC000094413203 184794573 /nfs/dbraw/zinc/79/45/73/184794573.db2.gz BAGPCRCNSZUJBP-ZDUSSCGKSA-N 1 0 263.385 2.275 10 0 CEAERO CC(C)C[NH2+]CC[C@](C)(O)[C@H]1CCOC2(CCOCC2)C1 ZINC000094418760 184794918 /nfs/dbraw/zinc/79/49/18/184794918.db2.gz FGOQEDAXOWNHLY-HOTGVXAUSA-N 1 0 299.455 2.349 10 0 CEAERO c1cn([C@@H]2CCOC3(CCOCC3)C2)nc1C[NH2+]C1CC1 ZINC000094414756 184794940 /nfs/dbraw/zinc/79/49/40/184794940.db2.gz JQRVCHRTPOLETF-OAHLLOKOSA-N 1 0 291.395 2.036 10 0 CEAERO [NH3+][C@H]1CCCCC[C@H]1Nc1ccc2nccnc2n1 ZINC000094726385 184847489 /nfs/dbraw/zinc/84/74/89/184847489.db2.gz BQJCPHWBPZTJAG-WDEREUQCSA-N 1 0 257.341 2.097 10 0 CEAERO Cc1ccc(CN(C)C(=O)[C@H]2CCCCC[C@H]2[NH3+])o1 ZINC000094749832 184852026 /nfs/dbraw/zinc/85/20/26/184852026.db2.gz UYYZSCWBOOKSPY-UONOGXRCSA-N 1 0 264.369 2.454 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@H]1C(=O)Nc1ccc(CCO)cc1 ZINC000094752432 184852922 /nfs/dbraw/zinc/85/29/22/184852922.db2.gz QBJLKLFYNHNFQO-HUUCEWRRSA-N 1 0 276.380 2.068 10 0 CEAERO C[NH2+][C@@H](Cc1nc([C@@]2(C)CCCO2)no1)C(C)(C)C ZINC000094785960 184863889 /nfs/dbraw/zinc/86/38/89/184863889.db2.gz XFQGLYWFVPBAFS-IINYFYTJSA-N 1 0 267.373 2.272 10 0 CEAERO COc1ccc(OC)c([C@H](C[NH3+])N2CCC(C)(C)C2)c1 ZINC000094798805 184866648 /nfs/dbraw/zinc/86/66/48/184866648.db2.gz DGPWOWNLZMSUKN-AWEZNQCLSA-N 1 0 278.396 2.436 10 0 CEAERO COc1cccc(CN(C)[C@]2(C[NH3+])CS[C@@H](C)C2)c1 ZINC000094473405 184807717 /nfs/dbraw/zinc/80/77/17/184807717.db2.gz DRFGLSDPECWIIX-SWLSCSKDSA-N 1 0 280.437 2.350 10 0 CEAERO C[C@H]1C[C@@]2(CNC(=[NH2+])N2c2cccc(F)c2)CS1 ZINC000094475250 184807914 /nfs/dbraw/zinc/80/79/14/184807914.db2.gz RJCLXVMAGPTRSH-TVQRCGJNSA-N 1 0 265.357 2.434 10 0 CEAERO C[C@H]1SCCC[C@@]1([NH2+]C1CCCCCC1)C(N)=O ZINC000094479658 184808965 /nfs/dbraw/zinc/80/89/65/184808965.db2.gz LKTWIXAQMXYGOT-RISCZKNCSA-N 1 0 270.442 2.438 10 0 CEAERO CC(C)Cn1ncnc1C[C@@H]([NH3+])CCC(F)(F)F ZINC000094492718 184809827 /nfs/dbraw/zinc/80/98/27/184809827.db2.gz VBXCDEVSOCSVKZ-VIFPVBQESA-N 1 0 264.295 2.146 10 0 CEAERO C[NH2+][C@H](Cc1cccc(F)c1F)[C@H]1CSCCO1 ZINC000094503157 184811707 /nfs/dbraw/zinc/81/17/07/184811707.db2.gz ZEFBYPICACMWSV-VXGBXAGGSA-N 1 0 273.348 2.227 10 0 CEAERO CCc1nc([C@H]2CSCCO2)nc(CC)c1CC[NH2+]C ZINC000094505528 184812273 /nfs/dbraw/zinc/81/22/73/184812273.db2.gz LFKDHEPTDRKTOL-CQSZACIVSA-N 1 0 295.452 2.168 10 0 CEAERO Cc1cccc(-c2nnc(CN3C[C@@H](C)C[C@H]([NH3+])C3)o2)c1 ZINC000094552418 184816681 /nfs/dbraw/zinc/81/66/81/184816681.db2.gz PUUYUNTVQHWYPC-JSGCOSHPSA-N 1 0 286.379 2.214 10 0 CEAERO CC(C)(C)[NH2+]CCCN1C(=O)C(=O)c2cccc(F)c21 ZINC000094613680 184826757 /nfs/dbraw/zinc/82/67/57/184826757.db2.gz YJRNDHYZIXBMFK-UHFFFAOYSA-N 1 0 278.327 2.133 10 0 CEAERO Cc1nc(COc2ccc(F)cc2[C@@H](C)[NH3+])no1 ZINC000094619841 184827204 /nfs/dbraw/zinc/82/72/04/184827204.db2.gz BKVMDMMFABGYJH-SSDOTTSWSA-N 1 0 251.261 2.116 10 0 CEAERO COc1ccc(C[C@H]([NH3+])c2ccc(OC)c(OC)c2)cn1 ZINC000094632321 184829612 /nfs/dbraw/zinc/82/96/12/184829612.db2.gz PRBADMZSRYOCFG-ZDUSSCGKSA-N 1 0 288.347 2.350 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1cc(F)ccc1F ZINC000094646821 184833239 /nfs/dbraw/zinc/83/32/39/184833239.db2.gz FNSIZHILQCMALX-SCZZXKLOSA-N 1 0 254.280 2.291 10 0 CEAERO CC(C)C[C@@H](C[NH3+])C(=O)N1CCc2sccc2C1 ZINC000094696589 184841509 /nfs/dbraw/zinc/84/15/09/184841509.db2.gz WJFXLSJVOONBGG-LBPRGKRZSA-N 1 0 266.410 2.254 10 0 CEAERO COc1ccc(NC(=O)[C@@H](C[NH3+])CC(C)C)c(OC)c1 ZINC000094696630 184842026 /nfs/dbraw/zinc/84/20/26/184842026.db2.gz AAVZCKVVBOESHX-LLVKDONJSA-N 1 0 280.368 2.263 10 0 CEAERO CCN(CC(F)(F)F)C(=O)[C@H](C[NH3+])CC(C)C ZINC000094699802 184842598 /nfs/dbraw/zinc/84/25/98/184842598.db2.gz YXAGSKOYQTZXRC-VIFPVBQESA-N 1 0 254.296 2.018 10 0 CEAERO CC(C)C[C@@H](C[NH3+])C(=O)N(C)CCOc1ccccc1F ZINC000094698399 184842824 /nfs/dbraw/zinc/84/28/24/184842824.db2.gz MYAXFVWELGZBIX-ZDUSSCGKSA-N 1 0 296.386 2.284 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@@H]1NC(=O)Cc1cccc(F)c1F ZINC000094713567 184845548 /nfs/dbraw/zinc/84/55/48/184845548.db2.gz JNYMFMRHYHFFST-OLZOCXBDSA-N 1 0 282.334 2.284 10 0 CEAERO CC[C@H]([NH3+])[C@H](C)S(=O)(=O)Cc1cc(C)cc(C)c1 ZINC000094719857 184846161 /nfs/dbraw/zinc/84/61/61/184846161.db2.gz QOEURSGJNOOYLO-JSGCOSHPSA-N 1 0 269.410 2.344 10 0 CEAERO C[NH2+][C@@](C)(CCSCc1cc(C)cc(C)c1)C(N)=O ZINC000094719473 184846307 /nfs/dbraw/zinc/84/63/07/184846307.db2.gz LMPXQQWTVASEHC-HNNXBMFYSA-N 1 0 280.437 2.390 10 0 CEAERO COc1ccc(CC[NH3+])cc1OCc1nccs1 ZINC000094974876 184909124 /nfs/dbraw/zinc/90/91/24/184909124.db2.gz FXQMYOCKGFZLBH-UHFFFAOYSA-N 1 0 264.350 2.232 10 0 CEAERO CC[NH2+][C@@H](Cc1nc(C)cs1)[C@@H]1CN(C(C)C)CCO1 ZINC000094974623 184909430 /nfs/dbraw/zinc/90/94/30/184909430.db2.gz HZUJQICZGRGYRU-KBPBESRZSA-N 1 0 297.468 2.081 10 0 CEAERO C[C@H]1CC[C@H](C[NH3+])CN1C(=O)Cc1ccc(F)c(F)c1 ZINC000095046518 184923937 /nfs/dbraw/zinc/92/39/37/184923937.db2.gz PEHWSHNAUGEHJE-CMPLNLGQSA-N 1 0 282.334 2.093 10 0 CEAERO Clc1nccnc1COCCC1CC[NH2+]CC1 ZINC000095070396 184931850 /nfs/dbraw/zinc/93/18/50/184931850.db2.gz SMXSTJUHYSBIBX-UHFFFAOYSA-N 1 0 255.749 2.036 10 0 CEAERO Clc1nccc(OCCC[C@@H]2CCC[NH2+]C2)n1 ZINC000095070349 184932099 /nfs/dbraw/zinc/93/20/99/184932099.db2.gz KDZYWUUASSHSQU-JTQLQIEISA-N 1 0 255.749 2.289 10 0 CEAERO COc1nc2ccccc2nc1OCCC1CC[NH2+]CC1 ZINC000095071726 184933327 /nfs/dbraw/zinc/93/33/27/184933327.db2.gz CKPIZDPHMKWCNW-UHFFFAOYSA-N 1 0 287.363 2.407 10 0 CEAERO CC[NH2+][C@H]1COC[C@H]1C(=O)N(CCC(C)C)C1CCCC1 ZINC000094847970 184880658 /nfs/dbraw/zinc/88/06/58/184880658.db2.gz GHESGDSECLAIQW-CVEARBPZSA-N 1 0 296.455 2.428 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)Nc1cc(OC)ccc1F ZINC000094854624 184881592 /nfs/dbraw/zinc/88/15/92/184881592.db2.gz YQMGBDUFBTYJNI-SECBINFHSA-N 1 0 254.305 2.148 10 0 CEAERO CCOC(=O)[C@](C)(N)C[N@H+](C)C1CCC(C)(C)CC1 ZINC000094861133 184882652 /nfs/dbraw/zinc/88/26/52/184882652.db2.gz LXRMXDJRIFLHLD-OAHLLOKOSA-N 1 0 270.417 2.168 10 0 CEAERO CC[C@H]1CCN(c2cc(OC)ccc2F)CC[NH2+]1 ZINC000094856649 184882916 /nfs/dbraw/zinc/88/29/16/184882916.db2.gz DAPZCADQWHKSLI-NSHDSACASA-N 1 0 252.333 2.413 10 0 CEAERO Cc1cc(CNC(=O)CC[NH2+]C(C)C)cc(C)c1F ZINC000094894650 184889606 /nfs/dbraw/zinc/88/96/06/184889606.db2.gz MEEUDYICFKMEMZ-UHFFFAOYSA-N 1 0 266.360 2.447 10 0 CEAERO Cc1cccc(CN(C)C(=O)c2ccc(C[NH3+])cc2)n1 ZINC000094910422 184891303 /nfs/dbraw/zinc/89/13/03/184891303.db2.gz JGRHINQUALCOSF-UHFFFAOYSA-N 1 0 269.348 2.121 10 0 CEAERO CCN(Cc1ccccn1)C(=O)C1(CC)CC[NH2+]CC1 ZINC000094914776 184891899 /nfs/dbraw/zinc/89/18/99/184891899.db2.gz YLJKJGBZXXOLNH-UHFFFAOYSA-N 1 0 275.396 2.210 10 0 CEAERO CCNc1cc(C)ccc1C(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000094921421 184894285 /nfs/dbraw/zinc/89/42/85/184894285.db2.gz BLIATEVGQJQBSV-AWEZNQCLSA-N 1 0 289.423 2.498 10 0 CEAERO C[C@@H](CCCO)N[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000094943114 184898306 /nfs/dbraw/zinc/89/83/06/184898306.db2.gz UJPGJWBYOYMXNC-GWCFXTLKSA-N 1 0 256.777 2.090 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)C(C)(C)C[NH3+])cc1F ZINC000094960764 184906151 /nfs/dbraw/zinc/90/61/51/184906151.db2.gz MFQFGEYAAYAZSK-SNVBAGLBSA-N 1 0 252.333 2.296 10 0 CEAERO COc1cc(CC[NH3+])ccc1OCc1nccs1 ZINC000094974868 184909013 /nfs/dbraw/zinc/90/90/13/184909013.db2.gz DXVNSHGRIFFXPC-UHFFFAOYSA-N 1 0 264.350 2.232 10 0 CEAERO CCOC(=O)CC[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000189896156 130036445 /nfs/dbraw/zinc/03/64/45/130036445.db2.gz ZTBGMRJXLGYJNY-CYBMUJFWSA-N 1 0 287.363 2.476 10 0 CEAERO C[C@H]1OCCC[C@H]1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000191717812 130285437 /nfs/dbraw/zinc/28/54/37/130285437.db2.gz QKQXZNGNTPFZQV-CZUORRHYSA-N 1 0 290.407 2.180 10 0 CEAERO C[C@@H]1OCCC[C@H]1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000191717830 130286414 /nfs/dbraw/zinc/28/64/14/130286414.db2.gz QKQXZNGNTPFZQV-XJKSGUPXSA-N 1 0 290.407 2.180 10 0 CEAERO Cc1ccccc1[C@H]1C[C@H]1C(=O)NC1(C[NH3+])CCCC1 ZINC000237682749 131052081 /nfs/dbraw/zinc/05/20/81/131052081.db2.gz NAGWNVGSDUACIZ-HUUCEWRRSA-N 1 0 272.392 2.486 10 0 CEAERO Cc1ccc(OC[C@H](O)C[NH2+][C@H](C)[C@H]2CCCO2)c(C)c1 ZINC000249689114 131122760 /nfs/dbraw/zinc/12/27/60/131122760.db2.gz WCINIIYEVBRUEL-BFYDXBDKSA-N 1 0 293.407 2.200 10 0 CEAERO C[C@H]1CN(c2cc(Cl)nc(C3CC3)n2)C[C@H]1[NH+](C)C ZINC000251779790 131131513 /nfs/dbraw/zinc/13/15/13/131131513.db2.gz MWFYFKSWQPSIKG-GXSJLCMTSA-N 1 0 280.803 2.394 10 0 CEAERO COCC[C@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1ccc(C)o1 ZINC000262300301 131209529 /nfs/dbraw/zinc/20/95/29/131209529.db2.gz AIAILJSIYTVCKF-UBHSHLNASA-N 1 0 294.395 2.170 10 0 CEAERO Cc1ccc([C@H]2CCCN2C(=O)C2CC[NH2+]CC2)o1 ZINC000262700281 131252292 /nfs/dbraw/zinc/25/22/92/131252292.db2.gz HLGLUKRCXJVESD-CYBMUJFWSA-N 1 0 262.353 2.251 10 0 CEAERO C[C@@H](C[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1)N1CCOCC1 ZINC000263165654 131284587 /nfs/dbraw/zinc/28/45/87/131284587.db2.gz PXQXMWZMNJMUQM-IPYPFGDCSA-N 1 0 278.396 2.213 10 0 CEAERO CCc1cc(N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ncn1 ZINC000040765290 134870964 /nfs/dbraw/zinc/87/09/64/134870964.db2.gz WIGCUNMZZYPKNQ-OCCSQVGLSA-N 1 0 260.385 2.007 10 0 CEAERO C[C@@H]1CN(c2ccc(C(N)=[NH2+])cc2F)C[C@H](C)S1 ZINC000070383596 134946556 /nfs/dbraw/zinc/94/65/56/134946556.db2.gz IGQABFNIJNCQFO-DTORHVGOSA-N 1 0 267.373 2.440 10 0 CEAERO CC[C@@H]1C[NH2+]CCN1c1ccc(Br)cn1 ZINC000082476597 135007401 /nfs/dbraw/zinc/00/74/01/135007401.db2.gz XXLXEZCADHROCY-SNVBAGLBSA-N 1 0 270.174 2.032 10 0 CEAERO C[C@H]1C[NH2+]CCN1c1ccc(Br)cc1F ZINC000083086664 135014079 /nfs/dbraw/zinc/01/40/79/135014079.db2.gz XDHFPYZULZXDQG-QMMMGPOBSA-N 1 0 273.149 2.386 10 0 CEAERO CC(C)[NH2+][C@H](CO)CN1C[C@@H](C)Cc2ccccc21 ZINC000085211846 135035478 /nfs/dbraw/zinc/03/54/78/135035478.db2.gz PIBMBJWXPJJGME-ZFWWWQNUSA-N 1 0 262.397 2.044 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCSc2ccccc21 ZINC000085371873 135036529 /nfs/dbraw/zinc/03/65/29/135036529.db2.gz QHPIGMUHAXHXAW-WDEREUQCSA-N 1 0 262.378 2.253 10 0 CEAERO c1cnc2cccc(N3CC[NH2+][C@@H](C4CC4)C3)c2c1 ZINC000086122728 135038524 /nfs/dbraw/zinc/03/85/24/135038524.db2.gz SEFBIWAXOFMDGE-OAHLLOKOSA-N 1 0 253.349 2.423 10 0 CEAERO Fc1cc(F)c(F)c(N2CC[NH2+][C@@H](C3CC3)C2)c1 ZINC000086147876 135039216 /nfs/dbraw/zinc/03/92/16/135039216.db2.gz KQGGGSCJPZDPBZ-LLVKDONJSA-N 1 0 256.271 2.292 10 0 CEAERO C[C@@H]1CC[C@H](C)N(c2nc(NN)[nH+]cc2Cl)C1 ZINC000087889662 135052135 /nfs/dbraw/zinc/05/21/35/135052135.db2.gz KIZLWQSEQHOCLT-SFYZADRCSA-N 1 0 255.753 2.040 10 0 CEAERO CC[NH2+][C@@H](C)[C@H]1CCCN(c2nc(C)cnc2C)C1 ZINC000088057496 135052285 /nfs/dbraw/zinc/05/22/85/135052285.db2.gz VRORSYJTHSUOFH-JSGCOSHPSA-N 1 0 262.401 2.308 10 0 CEAERO CC(C)C[C@@H](C[NH3+])CC(=O)N1CCOc2ccccc21 ZINC000088278045 135054349 /nfs/dbraw/zinc/05/43/49/135054349.db2.gz OOIUKVNEODRHIT-CYBMUJFWSA-N 1 0 276.380 2.423 10 0 CEAERO NC(=[NH2+])c1cccc(N2CCC[C@H](C(F)(F)F)C2)n1 ZINC000088421411 135054664 /nfs/dbraw/zinc/05/46/64/135054664.db2.gz DIAMHUAEALUSAY-QMMMGPOBSA-N 1 0 272.274 2.144 10 0 CEAERO Cc1cc(CN2CC[C@H]([NH3+])c3ccccc32)n(C)n1 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CCn1nc(C)c([C@H](C)[NH2+][C@@H](C)C[C@@H](C)O)c1C ZINC000228090013 153357205 /nfs/dbraw/zinc/35/72/05/153357205.db2.gz JMYCKULEMFAKAB-AXFHLTTASA-N 1 0 253.390 2.330 10 0 CEAERO CCCn1ccc(C[NH2+]CCN2CCSCC2)c1 ZINC000233448700 153414119 /nfs/dbraw/zinc/41/41/19/153414119.db2.gz TZIPCMGQUHLHOP-UHFFFAOYSA-N 1 0 267.442 2.037 10 0 CEAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000246719849 153564293 /nfs/dbraw/zinc/56/42/93/153564293.db2.gz GCFBNORXHOJZJX-XHSDSOJGSA-N 1 0 286.419 2.274 10 0 CEAERO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@H]2CCCO[C@H]2C)C1 ZINC000250978382 153722516 /nfs/dbraw/zinc/72/25/16/153722516.db2.gz VMWACVJVKFPDBA-FZKCQIBNSA-N 1 0 296.455 2.286 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C)[C@H](C)C2)C12CCOCC2 ZINC000186358247 286398507 /nfs/dbraw/zinc/39/85/07/286398507.db2.gz DLOMBGUIDGTBJX-LVQVYYBASA-N 1 0 296.455 2.033 10 0 CEAERO C[C@@H]([NH3+])C1CCN(c2cncc(Br)c2)CC1 ZINC000261580976 153772643 /nfs/dbraw/zinc/77/26/43/153772643.db2.gz NGTXKUJEAPGQSN-SECBINFHSA-N 1 0 284.201 2.408 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1CC(=O)NC(C1CC1)C1CC1 ZINC000261593510 153781414 /nfs/dbraw/zinc/78/14/14/153781414.db2.gz ZFEOEYRBHFCYRD-QWHCGFSZSA-N 1 0 250.386 2.199 10 0 CEAERO C[C@H]1CCN(CC(=O)Nc2ccccc2Cl)[C@H](C[NH3+])C1 ZINC000261659702 153803900 /nfs/dbraw/zinc/80/39/00/153803900.db2.gz ZIBHLYUDZIFHQA-RYUDHWBXSA-N 1 0 295.814 2.338 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)NCc1cccc(OC(F)F)c1 ZINC000261817887 153848394 /nfs/dbraw/zinc/84/83/94/153848394.db2.gz SLWUHAOOKGGJIQ-WCQYABFASA-N 1 0 298.333 2.422 10 0 CEAERO [NH3+]CC1(C(=O)NCC2CCCCCCC2)CCOCC1 ZINC000261839312 153855784 /nfs/dbraw/zinc/85/57/84/153855784.db2.gz AEOUJDCWZGIHHU-UHFFFAOYSA-N 1 0 282.428 2.219 10 0 CEAERO C[NH2+][C@@H](C)Cc1noc(CCOc2ccc(Cl)cc2)n1 ZINC000261871584 153862886 /nfs/dbraw/zinc/86/28/86/153862886.db2.gz VHTLSOIKUMZONG-JTQLQIEISA-N 1 0 295.770 2.495 10 0 CEAERO CC(C)(C)c1cc(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)no1 ZINC000261905115 153870111 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[NH3+][C@@H]1CCC[C@@H]2CN(c3ccc(OC(F)F)cn3)C[C@H]21 ZINC000262282758 153934090 /nfs/dbraw/zinc/93/40/90/153934090.db2.gz UYJIWVLBOLCIRQ-YUSALJHKSA-N 1 0 283.322 2.247 10 0 CEAERO CCC(=O)c1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000262519567 153955929 /nfs/dbraw/zinc/95/59/29/153955929.db2.gz WKLICCATPXTGJR-YIONKMFJSA-N 1 0 286.375 2.292 10 0 CEAERO C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1CC[NH3+] ZINC000263089893 154014103 /nfs/dbraw/zinc/01/41/03/154014103.db2.gz YIOMRZPDPMRDPO-ZWNOBZJWSA-N 1 0 254.761 2.061 10 0 CEAERO C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)F ZINC000263113399 154020001 /nfs/dbraw/zinc/02/00/01/154020001.db2.gz FGKXEABNMUFRKY-NWDGAFQWSA-N 1 0 298.333 2.069 10 0 CEAERO C[C@@H]1CCC[C@@H](Cc2nc([C@H]3C[NH2+]CCN3C)no2)C1 ZINC000263129523 154022190 /nfs/dbraw/zinc/02/21/90/154022190.db2.gz BOEBQLYTDXRITE-JHJVBQTASA-N 1 0 278.400 2.015 10 0 CEAERO CCS[C@H](c1nc([C@H]2C[NH2+]CCN2C)no1)C(C)C ZINC000263245716 154042134 /nfs/dbraw/zinc/04/21/34/154042134.db2.gz PFXDSUWNMRNAIC-MNOVXSKESA-N 1 0 284.429 2.096 10 0 CEAERO CN1CC[NH2+]C[C@H]1c1noc(/C=C/C2CCCCC2)n1 ZINC000263266373 154044355 /nfs/dbraw/zinc/04/43/55/154044355.db2.gz RPBMSEOXUDZNIY-GWJCSSMESA-N 1 0 276.384 2.239 10 0 CEAERO C[C@H]1CCC[C@H]1[NH2+]C1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263461924 154100672 /nfs/dbraw/zinc/10/06/72/154100672.db2.gz BXJCGZKGZKCPHX-VYESFELBSA-N 1 0 280.412 2.092 10 0 CEAERO COCCC[C@@H](C)[NH2+][C@@H](C)c1nnc2n1CCCC2 ZINC000178076445 292378447 /nfs/dbraw/zinc/37/84/47/292378447.db2.gz XGSKLOOQPWYGGS-NEPJUHHUSA-N 1 0 266.389 2.080 10 0 CEAERO C[C@@H](C(=O)N1CCS[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000173133565 286757598 /nfs/dbraw/zinc/75/75/98/286757598.db2.gz ZYZGTEBLSYXBMV-STQMWFEESA-N 1 0 270.442 2.215 10 0 CEAERO C[C@H](C(=O)Nc1ccc2ncccc2c1)C1C[NH2+]C1 ZINC000164506170 162334819 /nfs/dbraw/zinc/33/48/19/162334819.db2.gz QCGOHBPMMKQIAA-JTQLQIEISA-N 1 0 255.321 2.029 10 0 CEAERO CO[C@H]1CCN(C(=O)C2CCCCCCC2)[C@@H](C[NH3+])C1 ZINC000167278320 162358224 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CCCCc1noc([C@@H](C)N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000171639682 165050614 /nfs/dbraw/zinc/05/06/14/165050614.db2.gz AXUAAGZIGXMDBK-CHWSQXEVSA-N 1 0 278.400 2.253 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCC1CC1 ZINC000173302523 165071128 /nfs/dbraw/zinc/07/11/28/165071128.db2.gz PZXPBIUNBQZWEJ-UONOGXRCSA-N 1 0 265.401 2.055 10 0 CEAERO CCn1c(C)nnc1C[N@@H+]1CC[C@H](CC(C)C)C1 ZINC000173908180 165088377 /nfs/dbraw/zinc/08/83/77/165088377.db2.gz OTIGHDNKDZSOST-CYBMUJFWSA-N 1 0 250.390 2.474 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc(C(C)(C)C)no1 ZINC000175040305 165123980 /nfs/dbraw/zinc/12/39/80/165123980.db2.gz GDVIDVJCONNGTR-CHWSQXEVSA-N 1 0 292.427 2.426 10 0 CEAERO CCCCCC(C)(C)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000175421098 165135045 /nfs/dbraw/zinc/13/50/45/165135045.db2.gz YCWQADKNCUHEBE-AWEZNQCLSA-N 1 0 284.444 2.382 10 0 CEAERO CC(C)CC(C)(C)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000175385025 165135544 /nfs/dbraw/zinc/13/55/44/165135544.db2.gz IIMJENOOVNOMCG-ZDUSSCGKSA-N 1 0 252.402 2.365 10 0 CEAERO COc1cccc([C@H](C)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000175653553 165140648 /nfs/dbraw/zinc/14/06/48/165140648.db2.gz VIGWIHMWYUWGIS-XJKSGUPXSA-N 1 0 278.396 2.019 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C[C@H]1C=CCC1 ZINC000176998036 165179520 /nfs/dbraw/zinc/17/95/20/165179520.db2.gz VGEOWEXKVYXSAI-UONOGXRCSA-N 1 0 250.386 2.285 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccsc1 ZINC000176977302 165182611 /nfs/dbraw/zinc/18/26/11/165182611.db2.gz MUMPSMZQNGIVRG-LBPRGKRZSA-N 1 0 252.383 2.304 10 0 CEAERO CCC(CC)NC(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000177313015 165192020 /nfs/dbraw/zinc/19/20/20/165192020.db2.gz RQAXZSRPEHQMSX-CYBMUJFWSA-N 1 0 255.406 2.301 10 0 CEAERO CC(C)COC1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000178443336 165241087 /nfs/dbraw/zinc/24/10/87/165241087.db2.gz ODJCIWADWSHFDN-UONOGXRCSA-N 1 0 282.428 2.168 10 0 CEAERO CC[C@@H]1CN(Cc2cc(F)ccc2C)CC[N@@H+]1C[C@@H](C)O ZINC000180099342 165298138 /nfs/dbraw/zinc/29/81/38/165298138.db2.gz OYLFRWCTGFYWRC-RHSMWYFYSA-N 1 0 294.414 2.411 10 0 CEAERO CC[C@@H](C)C[NH2+][C@H]1CCc2nnc(C(C)C)n2C1 ZINC000180231558 165300579 /nfs/dbraw/zinc/30/05/79/165300579.db2.gz MBLUQQGMVJGTGR-NEPJUHHUSA-N 1 0 250.390 2.352 10 0 CEAERO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000180207006 165302224 /nfs/dbraw/zinc/30/22/24/165302224.db2.gz LKFPCEREHPHUAS-QWHCGFSZSA-N 1 0 292.427 2.334 10 0 CEAERO CC(C)(C)OC(=O)CCCCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000181854592 165356711 /nfs/dbraw/zinc/35/67/11/165356711.db2.gz VLRXVWFTHOVLKE-CQSZACIVSA-N 1 0 282.428 2.278 10 0 CEAERO Cc1ccc(CCC[N@@H+]2CC[C@H](N3CCOCC3)C2)cc1 ZINC000181917486 165360536 /nfs/dbraw/zinc/36/05/36/165360536.db2.gz LWNXTUVFYSVNOV-SFHVURJKSA-N 1 0 288.435 2.334 10 0 CEAERO C[C@H]([NH2+]CC(=O)Nc1nncs1)c1cccc(Cl)c1 ZINC000182189495 165364747 /nfs/dbraw/zinc/36/47/47/165364747.db2.gz QAVCJBPPEPTGFA-QMMMGPOBSA-N 1 0 296.783 2.481 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H](C)CCCOC ZINC000183125712 287222185 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170791005 /nfs/dbraw/zinc/79/10/05/170791005.db2.gz WAMAKIMPKFQSLD-NSHDSACASA-N 1 0 296.367 2.228 10 0 CEAERO CCOc1ccc(NC(=O)[C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000019502450 170815234 /nfs/dbraw/zinc/81/52/34/170815234.db2.gz CAZXENAQGMDQSE-NWDGAFQWSA-N 1 0 262.353 2.412 10 0 CEAERO CN(C)[C@@](C)(C[NH3+])CCOc1ccc(F)cc1F ZINC000019667854 170834567 /nfs/dbraw/zinc/83/45/67/170834567.db2.gz FELFGIXTYVNJLZ-CYBMUJFWSA-N 1 0 258.312 2.013 10 0 CEAERO [NH3+]C[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1 ZINC000019669646 170834991 /nfs/dbraw/zinc/83/49/91/170834991.db2.gz JVBHOYYGKJAXLC-ZETCQYMHSA-N 1 0 259.136 2.305 10 0 CEAERO Cc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1N ZINC000019775421 170859526 /nfs/dbraw/zinc/85/95/26/170859526.db2.gz XVWAJDLNYYWCEL-UHFFFAOYSA-N 1 0 261.369 2.392 10 0 CEAERO C[C@@H]([NH3+])c1cc(F)ccc1Sc1nncn1C ZINC000019874029 170903852 /nfs/dbraw/zinc/90/38/52/170903852.db2.gz TZVQVBUCGVWXJZ-SSDOTTSWSA-N 1 0 252.318 2.125 10 0 CEAERO CC[NH+](CC)CCNc1ccc(OC)cc1OC ZINC000020041023 170975924 /nfs/dbraw/zinc/97/59/24/170975924.db2.gz OXUJELHPGOVXNA-UHFFFAOYSA-N 1 0 252.358 2.458 10 0 CEAERO c1coc([C@@H](C[NH2+]C[C@@H]2CCOC2)N2CCCC2)c1 ZINC000020123126 171003875 /nfs/dbraw/zinc/00/38/75/171003875.db2.gz NXGYANQAVDZYGA-UONOGXRCSA-N 1 0 264.369 2.043 10 0 CEAERO O=C(CC[NH2+][C@H]1CCc2ccccc21)N1CCCC1 ZINC000020127243 171011946 /nfs/dbraw/zinc/01/19/46/171011946.db2.gz BIRRVOKHGASPHF-HNNXBMFYSA-N 1 0 258.365 2.276 10 0 CEAERO CCCOc1ccc([C@@H](C)[NH2+]CCNC(C)=O)cc1 ZINC000020148947 171037548 /nfs/dbraw/zinc/03/75/48/171037548.db2.gz ATJAKFKNCAGXRL-GFCCVEGCSA-N 1 0 264.369 2.262 10 0 CEAERO [NH3+]CCN(Cc1ccccc1)C(=O)c1cccc(F)c1 ZINC000020183610 171046455 /nfs/dbraw/zinc/04/64/55/171046455.db2.gz ODHGIVKXTYPYII-UHFFFAOYSA-N 1 0 272.323 2.427 10 0 CEAERO [NH3+]CCN(Cc1ccccc1)C(=O)c1ccccc1F ZINC000020183609 171046692 /nfs/dbraw/zinc/04/66/92/171046692.db2.gz QJZCSBCYSJLIEN-UHFFFAOYSA-N 1 0 272.323 2.427 10 0 CEAERO CC[C@H](C)NS(=O)(=O)c1ccc(C[NH2+]C(C)C)cc1 ZINC000020188657 171053102 /nfs/dbraw/zinc/05/31/02/171053102.db2.gz BJVOPVCRXVTFLU-LBPRGKRZSA-N 1 0 284.425 2.261 10 0 CEAERO C[N@@H+]1CCCN(Cc2ccc(Cl)c(N)c2)CC1 ZINC000020217802 171080935 /nfs/dbraw/zinc/08/09/35/171080935.db2.gz CYNQRBMRSYOPPI-UHFFFAOYSA-N 1 0 253.777 2.060 10 0 CEAERO CCOc1cccc(C[C@@H](C[NH3+])c2nnc(C)o2)c1 ZINC000020222292 171085353 /nfs/dbraw/zinc/08/53/53/171085353.db2.gz QFKLOJJUHYMOEO-LBPRGKRZSA-N 1 0 261.325 2.062 10 0 CEAERO C[C@@](C[NH3+])(CCc1ccccc1)N1CCSCC1 ZINC000020257125 171111786 /nfs/dbraw/zinc/11/17/86/171111786.db2.gz IZWKIEZVZDHURV-HNNXBMFYSA-N 1 0 264.438 2.385 10 0 CEAERO [NH3+]C[C@@H](c1ccc(OC(F)F)cc1)N1CCSCC1 ZINC000020257058 171111980 /nfs/dbraw/zinc/11/19/80/171111980.db2.gz JEFXPZYHLQEKDA-LBPRGKRZSA-N 1 0 288.363 2.337 10 0 CEAERO [NH3+]Cc1cccc(S(=O)(=O)N2CCCCCCC2)c1 ZINC000020265469 171122882 /nfs/dbraw/zinc/12/28/82/171122882.db2.gz WHRHPNLNRPNIDG-UHFFFAOYSA-N 1 0 282.409 2.100 10 0 CEAERO CCNC(=O)[C@@H](C)[NH2+]C[C@H](c1ccccc1)N(CC)CC ZINC000020310111 171144178 /nfs/dbraw/zinc/14/41/78/171144178.db2.gz NJHNQXTWYIWHMO-GDBMZVCRSA-N 1 0 291.439 2.184 10 0 CEAERO CC[C@@H](C)NC(=O)[C@@H](C)Oc1ccccc1[C@@H](C)[NH3+] ZINC000020419442 171184587 /nfs/dbraw/zinc/18/45/87/171184587.db2.gz SMCPYHQHKOFXAM-IJLUTSLNSA-N 1 0 264.369 2.388 10 0 CEAERO CCN(CC)C(=O)[C@@H](C)Oc1cccc([C@@H](C)[NH3+])c1 ZINC000020419714 171185086 /nfs/dbraw/zinc/18/50/86/171185086.db2.gz UBUHQTHUEUUCLX-VXGBXAGGSA-N 1 0 264.369 2.342 10 0 CEAERO CN1c2ccc([C@@H]([NH3+])CC(F)(F)F)cc2CC1=O ZINC000020431226 171195909 /nfs/dbraw/zinc/19/59/09/171195909.db2.gz OBFTUUXVTQDZRE-VIFPVBQESA-N 1 0 258.243 2.158 10 0 CEAERO C[C@@H]1CC[C@H](C(=O)Nc2c(F)cccc2F)C[NH2+]1 ZINC000020476465 171220816 /nfs/dbraw/zinc/22/08/16/171220816.db2.gz SCSNJNCTZOKPPM-BDAKNGLRSA-N 1 0 254.280 2.291 10 0 CEAERO CCCC1N=NC(=S)N1CC(C)(C)C[NH+](C)C ZINC000020588899 171260496 /nfs/dbraw/zinc/26/04/96/171260496.db2.gz YQYHXZAQFWVODI-UHFFFAOYSA-N 1 0 256.419 2.107 10 0 CEAERO CCn1ncc(C[NH2+][C@@H]2COc3ccccc3C2)c1C ZINC000020784588 171272786 /nfs/dbraw/zinc/27/27/86/171272786.db2.gz WDIXXPIOQVWQOW-HNNXBMFYSA-N 1 0 271.364 2.305 10 0 CEAERO CCC[C@@H](C)NS(=O)(=O)c1cccc([C@H](C)[NH3+])c1 ZINC000021814400 171331675 /nfs/dbraw/zinc/33/16/75/171331675.db2.gz KQOSHKJQDKOKIX-MNOVXSKESA-N 1 0 270.398 2.173 10 0 CEAERO COc1cc(N)ccc1NC(=O)CCC[N@H+](C)C(C)C ZINC000022175328 171370358 /nfs/dbraw/zinc/37/03/58/171370358.db2.gz UWKNQGRYWKRJQM-UHFFFAOYSA-N 1 0 279.384 2.336 10 0 CEAERO [NH3+]Cc1ccccc1S(=O)(=O)Nc1ccccc1F ZINC000022177880 171371304 /nfs/dbraw/zinc/37/13/04/171371304.db2.gz ZPYCLPLBYQTVIV-UHFFFAOYSA-N 1 0 280.324 2.085 10 0 CEAERO CCOc1cc([C@H](C[NH3+])N(C)C)ccc1OC(F)F ZINC000022177383 171371658 /nfs/dbraw/zinc/37/16/58/171371658.db2.gz CZXOYEWFTAGHQX-JTQLQIEISA-N 1 0 274.311 2.248 10 0 CEAERO CC[C@@H]([NH3+])c1ccc(OCC(=O)NCC(C)C)cc1 ZINC000022214269 171375100 /nfs/dbraw/zinc/37/51/00/171375100.db2.gz VQTLNCFENBYVFE-CQSZACIVSA-N 1 0 264.369 2.247 10 0 CEAERO C[C@@H]1[C@@H](C)CCC[C@@H]1NS(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000022218379 171376751 /nfs/dbraw/zinc/37/67/51/171376751.db2.gz LNGKDXAKLPAGLJ-ZOWXZIJZSA-N 1 0 296.436 2.248 10 0 CEAERO CN(C)CC[NH2+]Cc1ccc(F)c(Br)c1 ZINC000022222240 171378974 /nfs/dbraw/zinc/37/89/74/171378974.db2.gz MFNVUBVYVMYTPL-UHFFFAOYSA-N 1 0 275.165 2.239 10 0 CEAERO COc1ccc([C@]23C[C@H]2C[NH2+]C3)cc1Br ZINC000027553392 171520546 /nfs/dbraw/zinc/52/05/46/171520546.db2.gz NJVGDJHEBAHABZ-JOYOIKCWSA-N 1 0 268.154 2.319 10 0 CEAERO COCCN(CCOC)[C@@H](C[NH3+])c1ccc(C(C)C)cc1 ZINC000032052995 171691427 /nfs/dbraw/zinc/69/14/27/171691427.db2.gz IAAOJSPIJZRHHL-KRWDZBQOSA-N 1 0 294.439 2.405 10 0 CEAERO CCCCN(CC)c1c(C[NH2+]CC)c(C)nn1C ZINC000034823688 171877258 /nfs/dbraw/zinc/87/72/58/171877258.db2.gz KSIPFGXIIHCSHB-UHFFFAOYSA-N 1 0 252.406 2.464 10 0 CEAERO Cc1ccc([C@H]([NH3+])c2ccc3c(c2)CC(=O)N3C)o1 ZINC000035381352 172163694 /nfs/dbraw/zinc/16/36/94/172163694.db2.gz DEVVLNILRBYHLY-OAHLLOKOSA-N 1 0 256.305 2.155 10 0 CEAERO C[C@@H]([NH3+])c1ccc2ccccc2c1OC[C@H](C)C(N)=O ZINC000035427187 172194788 /nfs/dbraw/zinc/19/47/88/172194788.db2.gz MRRUWZHHLOAMCN-WDEREUQCSA-N 1 0 272.348 2.360 10 0 CEAERO C[NH2+]Cc1c(N2CCC(C)CC2)nc2sccn12 ZINC000035429549 172197276 /nfs/dbraw/zinc/19/72/76/172197276.db2.gz TWYXZBKTCRLDPT-UHFFFAOYSA-N 1 0 264.398 2.352 10 0 CEAERO CC[NH2+]Cc1c(N2CCCCC2)nc2sccn12 ZINC000035429913 172198422 /nfs/dbraw/zinc/19/84/22/172198422.db2.gz LQNSLOFUNGJAJN-UHFFFAOYSA-N 1 0 264.398 2.496 10 0 CEAERO Cc1ccc(O[C@H](C)C(=O)NC(C)C)c([C@H](C)[NH3+])c1 ZINC000035629317 172309024 /nfs/dbraw/zinc/30/90/24/172309024.db2.gz NQFFAFDCNCTQEU-NWDGAFQWSA-N 1 0 264.369 2.307 10 0 CEAERO C[C@@H](O)c1cc(F)ccc1N(C)C1CC[NH+](C)CC1 ZINC000035631320 172313987 /nfs/dbraw/zinc/31/39/87/172313987.db2.gz MORKMAYTGNTJIN-LLVKDONJSA-N 1 0 266.360 2.409 10 0 CEAERO CCCCNS(=O)(=O)c1cccc([C@H](C)[NH2+]C)c1 ZINC000035633202 172316121 /nfs/dbraw/zinc/31/61/21/172316121.db2.gz RLVOKDOVENWRNP-NSHDSACASA-N 1 0 270.398 2.045 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C(C)C)cc1 ZINC000035633367 172316440 /nfs/dbraw/zinc/31/64/40/172316440.db2.gz FKGOHPZVERTWAR-LBPRGKRZSA-N 1 0 284.425 2.386 10 0 CEAERO CC[NH2+][C@H](C)c1cccc(NS(=O)(=O)CC)c1 ZINC000035644730 172322317 /nfs/dbraw/zinc/32/23/17/172322317.db2.gz YJISIXGHUHDPOL-SNVBAGLBSA-N 1 0 256.371 2.119 10 0 CEAERO CCC1(CC)CC(=O)N([C@@H](C)[C@@H]2CCCC[NH2+]2)C1=O ZINC000035691798 172360230 /nfs/dbraw/zinc/36/02/30/172360230.db2.gz VBQIBTLCTUMZDX-RYUDHWBXSA-N 1 0 266.385 2.082 10 0 CEAERO C[C@@H](NC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)c1cccnc1 ZINC000035692183 172360787 /nfs/dbraw/zinc/36/07/87/172360787.db2.gz QJVFOXVGIHUORV-PAPYEOQZSA-N 1 0 273.380 2.180 10 0 CEAERO Cn1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000035737446 172390747 /nfs/dbraw/zinc/39/07/47/172390747.db2.gz YNAHGAHVOKQACQ-CQSZACIVSA-N 1 0 256.353 2.107 10 0 CEAERO CCC[NH2+][C@H]1C[C@H](C)S(=O)(=O)c2ccccc21 ZINC000035760602 172398643 /nfs/dbraw/zinc/39/86/43/172398643.db2.gz AWKIWZPLHYTMNA-JQWIXIFHSA-N 1 0 253.367 2.293 10 0 CEAERO CC(C)c1nnc2sc(-c3ccc(C[NH3+])cc3)nn21 ZINC000036153960 172477823 /nfs/dbraw/zinc/47/78/23/172477823.db2.gz CSLZLDYZGRNUPW-UHFFFAOYSA-N 1 0 273.365 2.435 10 0 CEAERO COc1ccc([C@H](O)[C@H]2CCC[NH2+]C2)cc1Cl ZINC000036172731 172491924 /nfs/dbraw/zinc/49/19/24/172491924.db2.gz HEDONSMKWQENEY-GWCFXTLKSA-N 1 0 255.745 2.382 10 0 CEAERO [NH3+]Cc1cccc(CNC(=O)NC2CCCCC2)c1 ZINC000036202442 172514981 /nfs/dbraw/zinc/51/49/81/172514981.db2.gz URJONVLOCWVITK-UHFFFAOYSA-N 1 0 261.369 2.277 10 0 CEAERO CC[NH+](CC)CCCNc1ncc(Cl)cc1N ZINC000036226241 172524071 /nfs/dbraw/zinc/52/40/71/172524071.db2.gz BBDRNUIQZXMXNZ-UHFFFAOYSA-N 1 0 256.781 2.461 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](O)c1ccc(F)c(Br)c1 ZINC000036779114 172696211 /nfs/dbraw/zinc/69/62/11/172696211.db2.gz VZSDSJIZCRMLRL-ZJUUUORDSA-N 1 0 262.122 2.359 10 0 CEAERO Cc1nc(-c2cccc(NC(=O)CC[NH3+])c2)cs1 ZINC000037028029 172892687 /nfs/dbraw/zinc/89/26/87/172892687.db2.gz KMHQKQSYSULMTF-UHFFFAOYSA-N 1 0 261.350 2.406 10 0 CEAERO CCC[N@H+](CC)CCOc1ccc(C(N)=S)cc1 ZINC000037144501 172983081 /nfs/dbraw/zinc/98/30/81/172983081.db2.gz UHQVXFRVSAXCSF-UHFFFAOYSA-N 1 0 266.410 2.432 10 0 CEAERO C[N@H+](CCCOc1ccccc1N)[C@@H]1CCSC1 ZINC000037174100 173008533 /nfs/dbraw/zinc/00/85/33/173008533.db2.gz CGBSMNBZCNIMEU-GFCCVEGCSA-N 1 0 266.410 2.475 10 0 CEAERO [NH3+][C@H](Cc1c[nH]cn1)c1nc2cc(F)ccc2s1 ZINC000037205187 173027824 /nfs/dbraw/zinc/02/78/24/173027824.db2.gz AWXZCLHYTYQLMX-SECBINFHSA-N 1 0 262.313 2.401 10 0 CEAERO COc1ccc2c(c1)[C@@H]([NH2+]CCCn1ccnc1)CCO2 ZINC000037249444 173062114 /nfs/dbraw/zinc/06/21/14/173062114.db2.gz CXBCLTUEQZNTKK-HNNXBMFYSA-N 1 0 287.363 2.395 10 0 CEAERO Cc1csc2nc(C)c(C[NH2+]C3CCOCC3)n12 ZINC000037269441 173081024 /nfs/dbraw/zinc/08/10/24/173081024.db2.gz BVQMPGJRHDMAOB-UHFFFAOYSA-N 1 0 265.382 2.281 10 0 CEAERO Cc1cccc([C@H]([NH3+])c2ccc3[nH]c(=O)oc3c2)c1 ZINC000037308708 173111668 /nfs/dbraw/zinc/11/16/68/173111668.db2.gz WHANAHKXJPEWNH-AWEZNQCLSA-N 1 0 254.289 2.478 10 0 CEAERO Cc1nc2ccccn2c1C[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000037321079 173121838 /nfs/dbraw/zinc/12/18/38/173121838.db2.gz GAPYMROZVDRBAQ-QWHCGFSZSA-N 1 0 259.353 2.036 10 0 CEAERO CCC[NH2+]C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000037370689 173159908 /nfs/dbraw/zinc/15/99/08/173159908.db2.gz AKTAFTQAEIFUEI-ZBFHGGJFSA-N 1 0 263.381 2.441 10 0 CEAERO COc1cccc(C[NH2+]CC(OC)OC)c1OC(F)F ZINC000037388347 173171637 /nfs/dbraw/zinc/17/16/37/173171637.db2.gz PSGPCISRUBQAML-UHFFFAOYSA-N 1 0 291.294 2.005 10 0 CEAERO CCOc1ccccc1C[NH2+]CCCC(=O)OC ZINC000037395187 173175128 /nfs/dbraw/zinc/17/51/28/173175128.db2.gz MLYFXZHDOSFASD-UHFFFAOYSA-N 1 0 251.326 2.128 10 0 CEAERO CC(C)[C@H](NC(=O)C[NH2+]C1CC1)c1ccc(F)cc1 ZINC000037395405 173175928 /nfs/dbraw/zinc/17/59/28/173175928.db2.gz OKZOIOXOLHKYEG-HNNXBMFYSA-N 1 0 264.344 2.391 10 0 CEAERO CN(Cc1cc(N)ccc1Cl)C1CC[NH+](C)CC1 ZINC000037403021 173179454 /nfs/dbraw/zinc/17/94/54/173179454.db2.gz ZQKMSQXSHODXEV-UHFFFAOYSA-N 1 0 267.804 2.448 10 0 CEAERO CC(C)n1c2ccc(Cl)cc2nc1[C@@H]([NH3+])CO ZINC000037440706 173210488 /nfs/dbraw/zinc/21/04/88/173210488.db2.gz HQLZWRMKFISINN-VIFPVBQESA-N 1 0 253.733 2.263 10 0 CEAERO CCn1c2ccc(Br)cc2nc1CC[NH3+] ZINC000037441439 173211598 /nfs/dbraw/zinc/21/15/98/173211598.db2.gz PIPIGLLVPIPCKQ-UHFFFAOYSA-N 1 0 268.158 2.320 10 0 CEAERO C[NH2+][C@H]1CCN(c2cccc(Br)c2)C1 ZINC000037483318 173228551 /nfs/dbraw/zinc/22/85/51/173228551.db2.gz WLOAWDVOIFJSGB-JTQLQIEISA-N 1 0 255.159 2.247 10 0 CEAERO COC(=O)COc1c(Cl)cc(Cl)cc1C[C@@H](C)[NH3+] ZINC000037728861 173648666 /nfs/dbraw/zinc/64/86/66/173648666.db2.gz AMGDYQOJHVWBRS-SSDOTTSWSA-N 1 0 292.162 2.435 10 0 CEAERO CCN(C(=O)C[C@H](C)[NH3+])[C@H](C)c1cccc(O)c1 ZINC000037827125 173784536 /nfs/dbraw/zinc/78/45/36/173784536.db2.gz WNHRRGBEMWNFTN-WDEREUQCSA-N 1 0 250.342 2.039 10 0 CEAERO C[C@]([NH3+])(C(N)=O)C(c1ccccc1)c1ccccc1 ZINC000037870573 173815433 /nfs/dbraw/zinc/81/54/33/173815433.db2.gz UFPAFYIHSOKJBG-MRXNPFEDSA-N 1 0 254.333 2.021 10 0 CEAERO CCCN(C(C)C)S(=O)(=O)Cc1cccc(C[NH3+])c1 ZINC000037918537 173854902 /nfs/dbraw/zinc/85/49/02/173854902.db2.gz OAJVENVWUQVJFO-UHFFFAOYSA-N 1 0 284.425 2.096 10 0 CEAERO C[C@H](CNC(=O)c1cc(F)ccc1N)C[NH+]1CCCCC1 ZINC000038042201 174045479 /nfs/dbraw/zinc/04/54/79/174045479.db2.gz BCWWJZDBHCRTHL-GFCCVEGCSA-N 1 0 293.386 2.260 10 0 CEAERO CCc1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CCCOC2)c1 ZINC000038045735 174053762 /nfs/dbraw/zinc/05/37/62/174053762.db2.gz CRSFBUCJKUYJIL-CVEARBPZSA-N 1 0 293.407 2.005 10 0 CEAERO Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCOC2)c(C)c1 ZINC000038045445 174053769 /nfs/dbraw/zinc/05/37/69/174053769.db2.gz AJIJVQZWWSUPGR-HOTGVXAUSA-N 1 0 293.407 2.059 10 0 CEAERO CCCn1c(C[NH2+]CCCC(=O)OC)nc2ccccc21 ZINC000038046849 174056302 /nfs/dbraw/zinc/05/63/02/174056302.db2.gz HIRSALNYDSBUEO-UHFFFAOYSA-N 1 0 289.379 2.489 10 0 CEAERO COc1ccc(/C=C/C(=O)N[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000038049131 174060101 /nfs/dbraw/zinc/06/01/01/174060101.db2.gz LVHQRWMKZPINEN-LMSYVIICSA-N 1 0 274.364 2.095 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)Cc1c[nH]c2ccccc12 ZINC000038049535 174060446 /nfs/dbraw/zinc/06/04/46/174060446.db2.gz VLXTTXXPVUJVBS-ZFWWWQNUSA-N 1 0 271.364 2.097 10 0 CEAERO CCS(=O)(=O)c1ccc(N[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000038050826 174061990 /nfs/dbraw/zinc/06/19/90/174061990.db2.gz MEYOHTYNWQIXBV-UONOGXRCSA-N 1 0 282.409 2.162 10 0 CEAERO COc1cccc(C2CC([NH2+]C[C@H](C)N(C)C)C2)c1 ZINC000038087777 174100863 /nfs/dbraw/zinc/10/08/63/174100863.db2.gz OGFITHHIJZMEBY-GRTSSRMGSA-N 1 0 262.397 2.481 10 0 CEAERO CC(C)CCCNC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000038093901 174107721 /nfs/dbraw/zinc/10/77/21/174107721.db2.gz SEFAHEFZAXXNIL-MELADBBJSA-N 1 0 252.402 2.460 10 0 CEAERO CC(C)c1ccc([C@@H](O)C[NH2+]C[C@@H]2CCOC2)cc1 ZINC000038094620 174108229 /nfs/dbraw/zinc/10/82/29/174108229.db2.gz BCKXQPLPYSPDFL-BBRMVZONSA-N 1 0 263.381 2.470 10 0 CEAERO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC1)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000040177312 174202367 /nfs/dbraw/zinc/20/23/67/174202367.db2.gz FCAVOSMDMOVSPO-SEBNEYGDSA-N 1 0 264.413 2.412 10 0 CEAERO CC[C@@H](C)[C@H]([NH3+])C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000040487088 174289639 /nfs/dbraw/zinc/28/96/39/174289639.db2.gz SEPPQGUCLVMLKP-JNRDSBMFSA-N 1 0 264.413 2.445 10 0 CEAERO COc1ccc([C@H](C)[NH2+]C[C@H](O)COC(C)C)cc1OC ZINC000040491056 174292268 /nfs/dbraw/zinc/29/22/68/174292268.db2.gz VSOOHOQFUFXNGM-JSGCOSHPSA-N 1 0 297.395 2.140 10 0 CEAERO CCN1CCC[C@H]([NH2+]C2CCN(CC=C(C)C)CC2)C1 ZINC000040502889 174299318 /nfs/dbraw/zinc/29/93/18/174299318.db2.gz PYUFUIIQEBZJSB-KRWDZBQOSA-N 1 0 279.472 2.491 10 0 CEAERO CCCCOCC[NH2+][C@H]1CCS(=O)(=O)c2ccccc21 ZINC000040506850 174302213 /nfs/dbraw/zinc/30/22/13/174302213.db2.gz QKDXOUVUOCLJGT-AWEZNQCLSA-N 1 0 297.420 2.311 10 0 CEAERO Cc1cc(C)c(C(N)=S)c(NCc2ccccn2)[nH+]1 ZINC000040510109 174304316 /nfs/dbraw/zinc/30/43/16/174304316.db2.gz BFQCKJVSXLJRJQ-UHFFFAOYSA-N 1 0 272.377 2.340 10 0 CEAERO CCCCOCCOc1nc(C)cc(C)c1C(N)=[NH2+] ZINC000040515231 174306723 /nfs/dbraw/zinc/30/67/23/174306723.db2.gz FAFBFEYBODGLQN-UHFFFAOYSA-N 1 0 265.357 2.178 10 0 CEAERO CC(=O)NC[C@H](c1ccco1)[NH+]1CCC(C)CC1 ZINC000040614674 174353419 /nfs/dbraw/zinc/35/34/19/174353419.db2.gz NLOWRTDGIGTYSX-CYBMUJFWSA-N 1 0 250.342 2.189 10 0 CEAERO C[C@H]([NH2+]Cc1cc2c(s1)CCC2)C(=O)N1CCCC1 ZINC000040627601 174356947 /nfs/dbraw/zinc/35/69/47/174356947.db2.gz ZZWUWXRGAPYIAJ-NSHDSACASA-N 1 0 278.421 2.337 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000040630220 174357744 /nfs/dbraw/zinc/35/77/44/174357744.db2.gz PCJBEQJGCICIBL-QWRGUYRKSA-N 1 0 289.162 2.309 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2cccc3ccccc32)C1 ZINC000040629726 174357820 /nfs/dbraw/zinc/35/78/20/174357820.db2.gz PZWDJMGNFUWRCE-WFASDCNBSA-N 1 0 270.332 2.155 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccc3ccccc3c2)C1 ZINC000040632815 174358705 /nfs/dbraw/zinc/35/87/05/174358705.db2.gz CXHJWEJTUKVPOR-HUUCEWRRSA-N 1 0 270.332 2.155 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](c2nc(-c3ccc(F)c(F)c3)c[nH]2)C1 ZINC000040637850 174361690 /nfs/dbraw/zinc/36/16/90/174361690.db2.gz CFBGBNZTGJBCMY-CABZTGNLSA-N 1 0 279.290 2.404 10 0 CEAERO CO[C@H]1C[NH2+][C@H](c2nc(-c3ccccc3)c(C)[nH]2)C1 ZINC000040637909 174361849 /nfs/dbraw/zinc/36/18/49/174361849.db2.gz PKQUYUGRFRXHGZ-OLZOCXBDSA-N 1 0 257.337 2.435 10 0 CEAERO COc1cccc(-c2c[nH]c([C@@H]3C[C@@H](OC)C[NH2+]3)n2)c1 ZINC000040637713 174362073 /nfs/dbraw/zinc/36/20/73/174362073.db2.gz DMPBFGJMDFNECS-OLZOCXBDSA-N 1 0 273.336 2.135 10 0 CEAERO C[C@H]([NH2+]CCc1nccn1C)c1ccc2c(c1)CCO2 ZINC000040639287 174363913 /nfs/dbraw/zinc/36/39/13/174363913.db2.gz OXADXAWOOACDJQ-LBPRGKRZSA-N 1 0 271.364 2.248 10 0 CEAERO CC(C)Oc1cccc([C@H](CO)[NH2+]C[C@@H]2CCCO2)c1 ZINC000040666839 174366557 /nfs/dbraw/zinc/36/65/57/174366557.db2.gz RFUFEVAXYPMLIN-HOTGVXAUSA-N 1 0 279.380 2.276 10 0 CEAERO C[C@H]1CCC[C@](CNCC(=O)OC(C)(C)C)([NH+](C)C)C1 ZINC000040669302 174367929 /nfs/dbraw/zinc/36/79/29/174367929.db2.gz KAYYASSEEZPWSD-BBRMVZONSA-N 1 0 284.444 2.428 10 0 CEAERO CCc1oc2ccccc2c1C[NH2+]C(C)(C)C(N)=O ZINC000040674545 174372546 /nfs/dbraw/zinc/37/25/46/174372546.db2.gz LSJKJBSBBWOLJB-UHFFFAOYSA-N 1 0 260.337 2.349 10 0 CEAERO Cc1cc(C)cc(Oc2nc[nH+]c(NN(C)C)c2N)c1 ZINC000040681408 174375509 /nfs/dbraw/zinc/37/55/09/174375509.db2.gz FZOSLSPSNUMMHP-UHFFFAOYSA-N 1 0 273.340 2.356 10 0 CEAERO [NH3+]Cc1ccc(NC(=O)NCCc2ccc(O)cc2)cc1 ZINC000040737278 174389518 /nfs/dbraw/zinc/38/95/18/174389518.db2.gz QHXALTRJIKFXSO-UHFFFAOYSA-N 1 0 285.347 2.215 10 0 CEAERO C[C@@H]1CC(=O)N(C[C@@H]([NH3+])c2ccc3ccccc3c2)C1=O ZINC000040739839 174390545 /nfs/dbraw/zinc/39/05/45/174390545.db2.gz LFJNKXOXRBMDIB-IAQYHMDHSA-N 1 0 282.343 2.235 10 0 CEAERO CCCN(CC(=O)NC(C)(C)CC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748506 174393902 /nfs/dbraw/zinc/39/39/02/174393902.db2.gz FVIUYIWEASSQRA-YIONKMFJSA-N 1 0 295.471 2.286 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1nc2ccccc2o1 ZINC000040750049 174394833 /nfs/dbraw/zinc/39/48/33/174394833.db2.gz MFRHPLXJGUTIQE-YOGCLGLASA-N 1 0 257.337 2.282 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1nc(-c2ccsc2)no1 ZINC000040750254 174395371 /nfs/dbraw/zinc/39/53/71/174395371.db2.gz OKIYMLUZQDBGSI-YOGCLGLASA-N 1 0 290.392 2.252 10 0 CEAERO [NH3+][C@H]1CCCN(Cc2cc(Cl)cc3c2OCOC3)C1 ZINC000041029779 174454608 /nfs/dbraw/zinc/45/46/08/174454608.db2.gz SVSZGCODSHQFJA-ZDUSSCGKSA-N 1 0 282.771 2.130 10 0 CEAERO CC1CCC([NH3+])(c2nc(-c3ccccn3)no2)CC1 ZINC000041033413 174456758 /nfs/dbraw/zinc/45/67/58/174456758.db2.gz NTUDCUDILPZNSZ-UHFFFAOYSA-N 1 0 258.325 2.496 10 0 CEAERO [NH3+]C1CCC(C(=O)N(CC2CC2)CC2CC2)CC1 ZINC000070505370 414772222 /nfs/dbraw/zinc/77/22/22/414772222.db2.gz FBQNECOSEIBJEZ-UHFFFAOYSA-N 1 0 250.386 2.153 10 0 CEAERO CCOC(=O)c1ccc(OCC[NH+](CC)CC)c(N)c1 ZINC000041081633 174474840 /nfs/dbraw/zinc/47/48/40/174474840.db2.gz PZJYZCFTHNKKGY-UHFFFAOYSA-N 1 0 280.368 2.166 10 0 CEAERO CCc1cccc(OCCCN2CCC[NH2+]CC2)c1 ZINC000041355090 174533086 /nfs/dbraw/zinc/53/30/86/174533086.db2.gz LYNBNDLAGGEMBW-UHFFFAOYSA-N 1 0 262.397 2.313 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]1CC2CCC1CC2 ZINC000400191355 414747676 /nfs/dbraw/zinc/74/76/76/414747676.db2.gz ZVNLOVBKKRZUBJ-FDZXDKCCSA-N 1 0 252.402 2.302 10 0 CEAERO CC[C@@H]1CN(c2nc3ccccc3n2C)CC[C@@H]1[NH3+] ZINC000122955500 414791727 /nfs/dbraw/zinc/79/17/27/414791727.db2.gz KOBKYMUYRJIAAM-NEPJUHHUSA-N 1 0 258.369 2.137 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)CCc1c[nH]c2ccccc12 ZINC000312472188 414865747 /nfs/dbraw/zinc/86/57/47/414865747.db2.gz MLIINVCSLLOBNC-SMDDNHRTSA-N 1 0 271.364 2.049 10 0 CEAERO Cc1cc(C(=O)N(C)[C@H](C[NH3+])C(F)(F)F)c(F)cc1F ZINC000662981975 414817036 /nfs/dbraw/zinc/81/70/36/414817036.db2.gz SXRKBNJZXQWXOH-SNVBAGLBSA-N 1 0 296.239 2.235 10 0 CEAERO CCc1ccc(C(=O)N(C)[C@H](C[NH3+])C(F)(F)F)cc1 ZINC000662977515 414817554 /nfs/dbraw/zinc/81/75/54/414817554.db2.gz VDFYSCSQNNKWQR-LLVKDONJSA-N 1 0 274.286 2.211 10 0 CEAERO CN(C(=O)c1cccc2[nH]ccc21)[C@@H](C[NH3+])C(F)(F)F ZINC000662986430 414819661 /nfs/dbraw/zinc/81/96/61/414819661.db2.gz FLPRSXBTYFNODO-NSHDSACASA-N 1 0 285.269 2.130 10 0 CEAERO C[NH+](C)CCCCNc1ccc(C(N)=S)cc1F ZINC000041681087 174604250 /nfs/dbraw/zinc/60/42/50/174604250.db2.gz ZKJRQALJINWTAP-UHFFFAOYSA-N 1 0 269.389 2.214 10 0 CEAERO [NH3+]C[C@]12CCC[C@H]1CN(c1ncnc3ccccc31)C2 ZINC000312933312 414867341 /nfs/dbraw/zinc/86/73/41/414867341.db2.gz FGHFFUUQZPHJTH-LRDDRELGSA-N 1 0 268.364 2.195 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)c1cc2sccc2s1 ZINC000304269674 414849657 /nfs/dbraw/zinc/84/96/57/414849657.db2.gz KJLYMSATKCDSCP-ZETCQYMHSA-N 1 0 254.380 2.301 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1snnc1C ZINC000311832384 414863381 /nfs/dbraw/zinc/86/33/81/414863381.db2.gz PHTQLZYIKRHENV-OLZOCXBDSA-N 1 0 280.441 2.295 10 0 CEAERO CC[NH2+]C1CCC(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000042174336 174652532 /nfs/dbraw/zinc/65/25/32/174652532.db2.gz IEZPDGYCZICPHC-FKQQDJLNSA-N 1 0 264.413 2.460 10 0 CEAERO [NH3+]CCOc1cccc(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000042173738 174652548 /nfs/dbraw/zinc/65/25/48/174652548.db2.gz SEFCLFJVQMFGIZ-ZOWXZIJZSA-N 1 0 274.364 2.399 10 0 CEAERO Cc1[nH]c2ccccc2c1C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000653141213 414921525 /nfs/dbraw/zinc/92/15/25/414921525.db2.gz ZJPICSDADHCQOV-CMPLNLGQSA-N 1 0 257.337 2.038 10 0 CEAERO COCCN(CC(C)C)[C@H](C[NH3+])c1ccccc1F ZINC000042368183 174698689 /nfs/dbraw/zinc/69/86/89/174698689.db2.gz AMJSRNUYCSOVPE-OAHLLOKOSA-N 1 0 268.376 2.430 10 0 CEAERO Cc1cccc(N(C)C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)c1 ZINC000653065789 414893655 /nfs/dbraw/zinc/89/36/55/414893655.db2.gz SUCBPIKXMCLXDG-VXGBXAGGSA-N 1 0 286.297 2.356 10 0 CEAERO C[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)C1CCCCC1 ZINC000653064737 414894224 /nfs/dbraw/zinc/89/42/24/414894224.db2.gz CKFRJJVBEFAUNS-MVWJERBFSA-N 1 0 292.345 2.469 10 0 CEAERO FC(F)(F)c1ccnc(NCC23CC(C2)C[NH2+]3)c1 ZINC000663274272 414899726 /nfs/dbraw/zinc/89/97/26/414899726.db2.gz MDBMUXFWTFBJCX-UHFFFAOYSA-N 1 0 257.259 2.264 10 0 CEAERO CC[NH2+]Cc1cc(F)ccc1N(CCCOC)CCOC ZINC000042424051 174723480 /nfs/dbraw/zinc/72/34/80/174723480.db2.gz PNKZIPYARWBWJB-UHFFFAOYSA-N 1 0 298.402 2.425 10 0 CEAERO C[C@H](C[NH3+])CN(C)C(=O)c1cccc(C(F)(F)F)c1 ZINC000042455033 174746868 /nfs/dbraw/zinc/74/68/68/174746868.db2.gz CMAXMFMASPERHY-SECBINFHSA-N 1 0 274.286 2.372 10 0 CEAERO CCOC(=O)CN(CC)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000042553544 174791441 /nfs/dbraw/zinc/79/14/41/174791441.db2.gz YFWOUBDCHBEJBT-NSHDSACASA-N 1 0 293.367 2.123 10 0 CEAERO CC[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)C(C)C ZINC000042592801 174812383 /nfs/dbraw/zinc/81/23/83/174812383.db2.gz POLRZAMKXYPMRR-XUXIUFHCSA-N 1 0 252.402 2.458 10 0 CEAERO Cc1cc(Cl)ccc1C[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000657696481 415050589 /nfs/dbraw/zinc/05/05/89/415050589.db2.gz UZNZCWROJMWWTK-NSHDSACASA-N 1 0 266.772 2.216 10 0 CEAERO C[C@@H](N(C)S(=O)(=O)Cc1cccc(C[NH3+])c1)C(C)(C)C ZINC000042768249 174869932 /nfs/dbraw/zinc/86/99/32/174869932.db2.gz UEQVGWLNRHMCIS-GFCCVEGCSA-N 1 0 298.452 2.342 10 0 CEAERO CC(C)N(CC(F)(F)F)C(=O)[C@@H]1CCC[C@H](C)[NH2+]1 ZINC000042781261 174877367 /nfs/dbraw/zinc/87/73/67/174877367.db2.gz GSONDSQFSVBCTN-UWVGGRQHSA-N 1 0 266.307 2.316 10 0 CEAERO OCC1CC([NH2+]Cc2ccc(Br)s2)C1 ZINC000657809298 415087837 /nfs/dbraw/zinc/08/78/37/415087837.db2.gz VPQSLLJHDPOTEX-UHFFFAOYSA-N 1 0 276.199 2.371 10 0 CEAERO C[C@@H]1CCCC[C@H]1C[NH2+]CC(=O)N1CCCCC1 ZINC000042863180 174893912 /nfs/dbraw/zinc/89/39/12/174893912.db2.gz VJKWTQSEVRADST-KGLIPLIRSA-N 1 0 252.402 2.415 10 0 CEAERO CCC[NH2+][C@@H]1CCN(CCOc2cccc(C)c2)C1 ZINC000042896848 174903920 /nfs/dbraw/zinc/90/39/20/174903920.db2.gz ORHIMOWIQZVRGB-OAHLLOKOSA-N 1 0 262.397 2.448 10 0 CEAERO CC[C@@H]1COCCN1[C@@H](c1ccc(C)cc1)[C@@H](C)[NH3+] ZINC000042908714 174908925 /nfs/dbraw/zinc/90/89/25/174908925.db2.gz RXZTVMRWQPGNRQ-FVQBIDKESA-N 1 0 262.397 2.494 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1ccc(F)cc1)N1CCOCC1(C)C ZINC000042915080 174914298 /nfs/dbraw/zinc/91/42/98/174914298.db2.gz FLLQMVLOFXFEEX-FZMZJTMJSA-N 1 0 266.360 2.325 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1ccc(F)cc1)N(C)Cc1cnn(C)c1 ZINC000042915164 174915127 /nfs/dbraw/zinc/91/51/27/174915127.db2.gz BSGUQKNOTNRKHN-NHYWBVRUSA-N 1 0 276.359 2.080 10 0 CEAERO COCc1nc(C[NH2+]C[C@@]2(C)CC2(F)F)cs1 ZINC000657667029 415043107 /nfs/dbraw/zinc/04/31/07/415043107.db2.gz WUAVUYQZVSYTAU-SNVBAGLBSA-N 1 0 262.325 2.424 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000042944216 174919107 /nfs/dbraw/zinc/91/91/07/174919107.db2.gz KEIMGOIFBSPUIB-ZWNOBZJWSA-N 1 0 254.761 2.061 10 0 CEAERO Nc1cc(N)nc(S[C@@H](C[NH3+])c2ccc(Cl)cc2)n1 ZINC000042951439 174923498 /nfs/dbraw/zinc/92/34/98/174923498.db2.gz CRXYXBQUXHONPV-VIFPVBQESA-N 1 0 295.799 2.087 10 0 CEAERO COC(=O)CCS[C@@H](c1cccc(OC)c1)[C@@H](C)[NH3+] ZINC000043032753 174949165 /nfs/dbraw/zinc/94/91/65/174949165.db2.gz HEMBJLCBCGGYJU-QMTHXVAHSA-N 1 0 283.393 2.380 10 0 CEAERO Cc1ccccc1[C@H]([C@@H](C)[NH3+])N1CCOC(C)(C)C1 ZINC000043035612 174950305 /nfs/dbraw/zinc/95/03/05/174950305.db2.gz HPPBTCPAHYKAPO-HIFRSBDPSA-N 1 0 262.397 2.494 10 0 CEAERO CCCCOC[C@H](O)C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000653812031 415114740 /nfs/dbraw/zinc/11/47/40/415114740.db2.gz ADJHVQPLJSVWHB-GDBMZVCRSA-N 1 0 285.428 2.198 10 0 CEAERO CCOC1CCC([NH2+][C@@H]2CCCC[C@H]2CO)CC1 ZINC000657890495 415116023 /nfs/dbraw/zinc/11/60/23/415116023.db2.gz SFVDTQWUNGEROS-VXGQWTEUSA-N 1 0 255.402 2.475 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](OCc1cccs1)c1cnn(C)c1 ZINC000043236819 174987551 /nfs/dbraw/zinc/98/75/51/174987551.db2.gz PAKXTFQGWUCTNL-OLZOCXBDSA-N 1 0 265.382 2.477 10 0 CEAERO Cn1cc([C@@H](C[NH3+])Sc2ccc(F)c(F)c2)cn1 ZINC000043238003 174988084 /nfs/dbraw/zinc/98/80/84/174988084.db2.gz RWIKWHUWLFTPKZ-GFCCVEGCSA-N 1 0 269.320 2.490 10 0 CEAERO [NH3+][C@@H](c1cc(Cl)cc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300097 175000923 /nfs/dbraw/zinc/00/09/23/175000923.db2.gz NYOMCMGAZKVQRF-RDDDGLTNSA-N 1 0 294.203 2.428 10 0 CEAERO C[NH2+][C@H](c1c(C)cc(C)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000043300642 175001670 /nfs/dbraw/zinc/00/16/70/175001670.db2.gz NIYFPKJKWMNLMQ-ZFWWWQNUSA-N 1 0 281.421 2.307 10 0 CEAERO CCC[NH2+][C@@H](c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043301173 175001977 /nfs/dbraw/zinc/00/19/77/175001977.db2.gz VVDCHLJIVUSFNB-OCCSQVGLSA-N 1 0 285.384 2.301 10 0 CEAERO CCC[NH2+][C@@H](c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043301367 175002046 /nfs/dbraw/zinc/00/20/46/175002046.db2.gz RZVKTWQLKMGDFN-CABCVRRESA-N 1 0 281.421 2.470 10 0 CEAERO CC[NH2+][C@H](c1cc(C)ccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000043301111 175002069 /nfs/dbraw/zinc/00/20/69/175002069.db2.gz BVBMGSQEISGMDC-ZFWWWQNUSA-N 1 0 281.421 2.389 10 0 CEAERO Cc1c(F)cccc1NC(=O)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000043322299 175005990 /nfs/dbraw/zinc/00/59/90/175005990.db2.gz FBEFEOHNPQNELB-GXSJLCMTSA-N 1 0 250.317 2.461 10 0 CEAERO CC(C)C(=O)Nc1cccc(N[C@@H]2CCC[NH2+]C2)c1 ZINC000043326603 175007996 /nfs/dbraw/zinc/00/79/96/175007996.db2.gz VZOXZQJKEFGOBP-CQSZACIVSA-N 1 0 261.369 2.445 10 0 CEAERO c1cn(Cc2cccc(N[C@H]3CCC[NH2+]C3)c2)cn1 ZINC000043326792 175008318 /nfs/dbraw/zinc/00/83/18/175008318.db2.gz PKPOXTXAPDSCFC-HNNXBMFYSA-N 1 0 256.353 2.095 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccco1)N(CCOC)C1CC1 ZINC000043335870 175011566 /nfs/dbraw/zinc/01/15/66/175011566.db2.gz JCCZPOOGWGARDY-OCCSQVGLSA-N 1 0 252.358 2.169 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccccn1)N(CCO)C1CCCCC1 ZINC000043340849 175014163 /nfs/dbraw/zinc/01/41/63/175014163.db2.gz QBCOUFXXIUMOAL-RDJZCZTQSA-N 1 0 291.439 2.487 10 0 CEAERO [NH3+]C[C@@H](Oc1ccc(F)cc1F)c1ccccn1 ZINC000043341748 175015024 /nfs/dbraw/zinc/01/50/24/175015024.db2.gz IEVCCDUZPIMKPB-CYBMUJFWSA-N 1 0 250.248 2.439 10 0 CEAERO C[C@H]([NH3+])[C@H](Oc1ccc2c(c1)OCO2)c1ccccn1 ZINC000043343114 175015781 /nfs/dbraw/zinc/01/57/81/175015781.db2.gz GDAIYEAISYVACH-BONVTDFDSA-N 1 0 272.304 2.278 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1cccnc1)N(C)Cc1cc(C)on1 ZINC000043346915 175017358 /nfs/dbraw/zinc/01/73/58/175017358.db2.gz GJSXLAIQCFOAKA-LSDHHAIUSA-N 1 0 274.368 2.288 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1cccnc1)N(C)Cc1cccnc1 ZINC000043346466 175017452 /nfs/dbraw/zinc/01/74/52/175017452.db2.gz AEYJJGJGSRMCHC-JKSUJKDBSA-N 1 0 270.380 2.387 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1cccnc1)N(CC(F)(F)F)C1CC1 ZINC000043348627 175018342 /nfs/dbraw/zinc/01/83/42/175018342.db2.gz TUQXNILWEQYCJY-BXKDBHETSA-N 1 0 273.302 2.497 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1cccnc1)N(CCO)C1CCCC1 ZINC000043348336 175018865 /nfs/dbraw/zinc/01/88/65/175018865.db2.gz HKKKPXUWANWDFT-HZPDHXFCSA-N 1 0 277.412 2.097 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cccnc1)N(CCO)C1CCCCC1 ZINC000043348322 175018970 /nfs/dbraw/zinc/01/89/70/175018970.db2.gz RAZDGZOPJPFQHL-SJORKVTESA-N 1 0 291.439 2.487 10 0 CEAERO Cc1ncsc1CCO[C@H](c1cccnc1)[C@@H](C)[NH3+] ZINC000043350373 175019100 /nfs/dbraw/zinc/01/91/00/175019100.db2.gz KYLJGRYXACTHGN-YGRLFVJLSA-N 1 0 277.393 2.494 10 0 CEAERO Cc1cc(=O)[nH]c(S[C@H](c2cccnc2)[C@@H](C)[NH3+])n1 ZINC000043352023 175019777 /nfs/dbraw/zinc/01/97/77/175019777.db2.gz UWJCTNZSQGUTQR-SKDRFNHKSA-N 1 0 276.365 2.066 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccncc1)N(C)C[C@@H]1CCCCO1 ZINC000043354154 175021761 /nfs/dbraw/zinc/02/17/61/175021761.db2.gz VTTJEIYVHPOQFW-XHSDSOJGSA-N 1 0 277.412 2.361 10 0 CEAERO COc1ccccc1CN(C)[C@H](C[NH3+])c1ccncc1 ZINC000043354040 175021823 /nfs/dbraw/zinc/02/18/23/175021823.db2.gz JUCPBUKNQBZOPC-OAHLLOKOSA-N 1 0 271.364 2.222 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000043363674 175024263 /nfs/dbraw/zinc/02/42/63/175024263.db2.gz FSWILXGDAGYVNP-XFMPKHEZSA-N 1 0 266.385 2.476 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)N1CCSCC1 ZINC000043363941 175025094 /nfs/dbraw/zinc/02/50/94/175025094.db2.gz LJJAPHZVCUHKGY-YPMHNXCESA-N 1 0 254.399 2.415 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)N(CCOC)C1CC1 ZINC000043364915 175025413 /nfs/dbraw/zinc/02/54/13/175025413.db2.gz MXMQOIVORUXKCU-HIFRSBDPSA-N 1 0 266.385 2.477 10 0 CEAERO Cc1ccc([C@@H]([C@H](C)[NH3+])N2CCOC(C)(C)C2)o1 ZINC000043364452 175025740 /nfs/dbraw/zinc/02/57/40/175025740.db2.gz NDMHGJIUTUKQNT-WCQYABFASA-N 1 0 252.358 2.087 10 0 CEAERO Cc1ccc([C@@H]([C@H](C)[NH3+])N(C)CC(F)(F)F)o1 ZINC000043364514 175025865 /nfs/dbraw/zinc/02/58/65/175025865.db2.gz QGKQUQYIWJXEPX-WCBMZHEXSA-N 1 0 250.264 2.470 10 0 CEAERO CCC(CC)N(CCO)[C@H](C[NH3+])c1ccc(C)o1 ZINC000043365183 175026897 /nfs/dbraw/zinc/02/68/97/175026897.db2.gz IAAAJZJVDXFJHK-CYBMUJFWSA-N 1 0 254.374 2.071 10 0 CEAERO CC[C@H]([NH3+])[C@H](N(C)CCc1ccncc1)C(F)(F)F ZINC000043377890 175030591 /nfs/dbraw/zinc/03/05/91/175030591.db2.gz SZFFXIHEAZRRRW-RYUDHWBXSA-N 1 0 275.318 2.224 10 0 CEAERO CCCc1cc(=O)[nH]c(S[C@H]([C@H](C)[NH3+])C(F)(F)F)n1 ZINC000043385733 175031941 /nfs/dbraw/zinc/03/19/41/175031941.db2.gz CSWBMHJDIYRZPD-IMTBSYHQSA-N 1 0 295.330 2.093 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1cnn(C)c1)C(F)(F)F ZINC000043386501 175032010 /nfs/dbraw/zinc/03/20/10/175032010.db2.gz CICXGPLQYQJTMY-SFYZADRCSA-N 1 0 253.293 2.180 10 0 CEAERO Cc1nn(C2CC[NH+](C(C)C)CC2)c(N)c1Cl ZINC000043667340 175086598 /nfs/dbraw/zinc/08/65/98/175086598.db2.gz PSKZXOYKFJAHFI-UHFFFAOYSA-N 1 0 256.781 2.472 10 0 CEAERO CC[C@H](C)c1ccc(NC(=O)[C@H]2C[NH2+]CCO2)cc1 ZINC000043708514 175101872 /nfs/dbraw/zinc/10/18/72/175101872.db2.gz XFUJGWSGHNTPSZ-SMDDNHRTSA-N 1 0 262.353 2.127 10 0 CEAERO CC[NH2+][C@H](CN1C[C@@H](C)O[C@@H](C)C1)c1ccc(OC)cc1 ZINC000043811510 175110757 /nfs/dbraw/zinc/11/07/57/175110757.db2.gz NGKIWZREPHPOQV-JKIFEVAISA-N 1 0 292.423 2.455 10 0 CEAERO CCN(C[C@H]([NH2+]C)c1ccc2c(c1)OCO2)C1CC1 ZINC000043821359 175114707 /nfs/dbraw/zinc/11/47/07/175114707.db2.gz DOXVHOKCXKJYFP-ZDUSSCGKSA-N 1 0 262.353 2.160 10 0 CEAERO CC[NH2+][C@@H]1CCC2(C[C@@H]1N(C)C1CCCC1)OCCO2 ZINC000043884037 175117015 /nfs/dbraw/zinc/11/70/15/175117015.db2.gz PWLOGUKLHURVJH-CABCVRRESA-N 1 0 282.428 2.135 10 0 CEAERO CCC[NH2+][C@H]1CCC2(C[C@H]1N(C)CC(C)C)OCCO2 ZINC000043887113 175117434 /nfs/dbraw/zinc/11/74/34/175117434.db2.gz PSUREDJIZWGWBO-LSDHHAIUSA-N 1 0 284.444 2.238 10 0 CEAERO C[NH2+][C@H](c1ccc(OC)cc1)[C@H](C)N1CCC(OC)CC1 ZINC000043890015 175117742 /nfs/dbraw/zinc/11/77/42/175117742.db2.gz YMBLVEMUAXRFBR-GUYCJALGSA-N 1 0 292.423 2.455 10 0 CEAERO CC[NH2+][C@H](CN1CCOC[C@@H]1C)c1ccccc1OC ZINC000043891409 175118349 /nfs/dbraw/zinc/11/83/49/175118349.db2.gz RKXVNFUPRUTYPZ-DZGCQCFKSA-N 1 0 278.396 2.067 10 0 CEAERO CC[NH2+][C@@H]1CCC2(C[C@H]1N(C)[C@@H](C)C(C)C)OCCO2 ZINC000043895594 175119086 /nfs/dbraw/zinc/11/90/86/175119086.db2.gz GZEKPLFGVMRXFH-RRFJBIMHSA-N 1 0 284.444 2.236 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2C[C@H]1N(C)Cc1ccccn1 ZINC000043894309 175119457 /nfs/dbraw/zinc/11/94/57/175119457.db2.gz DHXYXHMQQUWLPJ-IAGOWNOFSA-N 1 0 267.376 2.399 10 0 CEAERO CC[NH2+][C@@H](CN1CCOC(C)(C)C1)c1ccc(OC)cc1 ZINC000043897864 175120590 /nfs/dbraw/zinc/12/05/90/175120590.db2.gz YXSJBMGOSGZSTD-INIZCTEOSA-N 1 0 292.423 2.457 10 0 CEAERO CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N1CCOC(C)(C)C1 ZINC000043897808 175120620 /nfs/dbraw/zinc/12/06/20/175120620.db2.gz ODNBBMBJOQOGTE-MCIONIFRSA-N 1 0 254.418 2.264 10 0 CEAERO C[NH2+][C@H]1CCCCCC[C@H]1N1CCOC(C)(C)C1 ZINC000043897631 175120660 /nfs/dbraw/zinc/12/06/60/175120660.db2.gz CSFOLZZJEICNIH-UONOGXRCSA-N 1 0 254.418 2.408 10 0 CEAERO C[NH2+][C@H](CN(C)C1CCOCC1)c1cc(C)ccc1OC ZINC000043898240 175120913 /nfs/dbraw/zinc/12/09/13/175120913.db2.gz SNNCPFKQOAHAHU-MRXNPFEDSA-N 1 0 292.423 2.375 10 0 CEAERO CC[C@H]1COCCN1[C@@H]1CCc2ccccc2[C@@H]1[NH2+]C ZINC000043899063 175120944 /nfs/dbraw/zinc/12/09/44/175120944.db2.gz UKVGAHMKBVASHW-UAGQMJEPSA-N 1 0 274.408 2.373 10 0 CEAERO CC[NH2+][C@@H]1CCCCC[C@@H]1N(C)C1CCOCC1 ZINC000043898362 175121551 /nfs/dbraw/zinc/12/15/51/175121551.db2.gz UUXPHPIWQUKBNT-CABCVRRESA-N 1 0 254.418 2.408 10 0 CEAERO C[NH2+][C@@H](c1ccc(C)cc1)[C@@H](C)N(CCOC)CCOC ZINC000043912540 175123651 /nfs/dbraw/zinc/12/36/51/175123651.db2.gz KWOFENKGVJNCRT-NVXWUHKLSA-N 1 0 294.439 2.239 10 0 CEAERO C[NH2+][C@H](c1ccc(OC)cc1)[C@@H](C)N1CCOCC1(C)C ZINC000043916766 175125402 /nfs/dbraw/zinc/12/54/02/175125402.db2.gz OSBXFEITKYEIBH-CJNGLKHVSA-N 1 0 292.423 2.455 10 0 CEAERO CCC[NH2+][C@H]1CCCC[C@H]1N1CCOCC1(C)C ZINC000043965402 175126462 /nfs/dbraw/zinc/12/64/62/175126462.db2.gz QFVRYVADKMVUQU-UONOGXRCSA-N 1 0 254.418 2.408 10 0 CEAERO CCN(CCOC)C[C@@H]([NH2+]C)c1cc(C)ccc1OC ZINC000043968548 175129487 /nfs/dbraw/zinc/12/94/87/175129487.db2.gz LIGNUFDTUCEEIM-OAHLLOKOSA-N 1 0 280.412 2.232 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2OC[C@H]1N(C)[C@@H](C)COC ZINC000043969321 175130569 /nfs/dbraw/zinc/13/05/69/175130569.db2.gz RLHMJWQZQRIFSQ-JGGQBBKZSA-N 1 0 278.396 2.065 10 0 CEAERO C[NH2+][C@H](CN(C)[C@@H](C)COC)c1ccccc1C ZINC000043969087 175130793 /nfs/dbraw/zinc/13/07/93/175130793.db2.gz RRHOBZUHQZFQRX-DZGCQCFKSA-N 1 0 250.386 2.222 10 0 CEAERO CCOc1ccc([C@@H](CN(CCOC)C2CC2)[NH2+]C)cc1 ZINC000043969709 175131390 /nfs/dbraw/zinc/13/13/90/175131390.db2.gz ZHEFERUVGHSSNX-QGZVFWFLSA-N 1 0 292.423 2.457 10 0 CEAERO C[NH2+][C@@H](CN(CCCOC)CCOC)c1ccccc1C ZINC000043970909 175131957 /nfs/dbraw/zinc/13/19/57/175131957.db2.gz NZEHZRARZYWMCE-KRWDZBQOSA-N 1 0 294.439 2.240 10 0 CEAERO CCCO[C@@H]1CCCN([C@@H]2CCCC[C@@H]2[NH2+]C)C1 ZINC000043971180 175132240 /nfs/dbraw/zinc/13/22/40/175132240.db2.gz XZBGQAXXABQKSA-QLFBSQMISA-N 1 0 254.418 2.408 10 0 CEAERO CCn1cc([C@H](C)[NH2+][C@H]2CCCN(CC)C2)cn1 ZINC000044500068 175185215 /nfs/dbraw/zinc/18/52/15/175185215.db2.gz RKUXVVUJFIZESQ-JSGCOSHPSA-N 1 0 250.390 2.038 10 0 CEAERO Cc1ccc(C)c(OCCN2CCCC[C@@H]2C[NH3+])c1 ZINC000044557655 175202708 /nfs/dbraw/zinc/20/27/08/175202708.db2.gz QFBJZDWGGQAAKM-OAHLLOKOSA-N 1 0 262.397 2.495 10 0 CEAERO CC[NH2+]Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000044626227 175221423 /nfs/dbraw/zinc/22/14/23/175221423.db2.gz JIMHRAJSIQBZQA-UHFFFAOYSA-N 1 0 257.215 2.263 10 0 CEAERO C[NH2+][C@@H]1CCCc2cc(O[C@H](C)C(=O)NC3CC3)ccc21 ZINC000044745312 175241697 /nfs/dbraw/zinc/24/16/97/175241697.db2.gz ICYMUSNZNFWRAD-BDJLRTHQSA-N 1 0 288.391 2.329 10 0 CEAERO CCN(CC)C(=O)COc1ccc2c(c1)CCC[C@H]2[NH3+] ZINC000044745006 175241733 /nfs/dbraw/zinc/24/17/33/175241733.db2.gz NAIQRBBXZLJVQV-OAHLLOKOSA-N 1 0 276.380 2.270 10 0 CEAERO Cc1cc(N)ccc1C(=O)N1CC[NH+](CCC(C)C)CC1 ZINC000044748842 175243960 /nfs/dbraw/zinc/24/39/60/175243960.db2.gz TUZYRIUGENWQLC-UHFFFAOYSA-N 1 0 289.423 2.381 10 0 CEAERO Cc1occc1CN(C)C(=O)C1(C[NH3+])CCCCC1 ZINC000044763285 175247014 /nfs/dbraw/zinc/24/70/14/175247014.db2.gz SGVSIJGQDIWFTO-UHFFFAOYSA-N 1 0 264.369 2.456 10 0 CEAERO CCC(CC)N(CCOC)C(=O)C(CC)(CC)C[NH3+] ZINC000044764185 175248073 /nfs/dbraw/zinc/24/80/73/175248073.db2.gz ONZGAZJSTYZOOZ-UHFFFAOYSA-N 1 0 272.433 2.415 10 0 CEAERO CC[C@H](C[NH3+])C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000044800242 175255482 /nfs/dbraw/zinc/25/54/82/175255482.db2.gz SKVIVUJECNJTBC-MRXNPFEDSA-N 1 0 274.408 2.453 10 0 CEAERO CCC(CC)N(C)C(=O)[C@@H](C[NH3+])Cc1ccccc1 ZINC000044802028 175255491 /nfs/dbraw/zinc/25/54/91/175255491.db2.gz XOWGYHGUQLFMRM-CQSZACIVSA-N 1 0 262.397 2.451 10 0 CEAERO COc1ccc(NC(=O)[C@@H](C[NH3+])C(C)C)cc1C ZINC000044806389 175256512 /nfs/dbraw/zinc/25/65/12/175256512.db2.gz JAKMWQMXKXELEK-LBPRGKRZSA-N 1 0 250.342 2.173 10 0 CEAERO CCCC(CCC)(C(N)=S)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000044842066 175263672 /nfs/dbraw/zinc/26/36/72/175263672.db2.gz NFKHSPAOEWVDGS-LBPRGKRZSA-N 1 0 299.484 2.070 10 0 CEAERO CCN(C(=O)[C@@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC000044880540 175269428 /nfs/dbraw/zinc/26/94/28/175269428.db2.gz ZTJHUYXJWYTFRH-LLVKDONJSA-N 1 0 250.317 2.178 10 0 CEAERO CNC(=O)CC[NH2+][C@@H](c1ccccc1)c1ccc(O)cc1 ZINC000044988274 175285133 /nfs/dbraw/zinc/28/51/33/175285133.db2.gz JGUXOUJOYBSMOR-KRWDZBQOSA-N 1 0 284.359 2.207 10 0 CEAERO CCOc1nc(NC[C@@H](C)[NH+]2CCCCC2)ccc1N ZINC000044989071 175285708 /nfs/dbraw/zinc/28/57/08/175285708.db2.gz JMVAAGOMOYKICB-GFCCVEGCSA-N 1 0 278.400 2.349 10 0 CEAERO C[C@@H](C[NH2+]CCOCC(F)(F)F)N1CCCCC1 ZINC000044992826 175286733 /nfs/dbraw/zinc/28/67/33/175286733.db2.gz BPXFURBEQQTFRL-NSHDSACASA-N 1 0 268.323 2.029 10 0 CEAERO CC[C@@H](C)NC(=O)CCN1Cc2ccccc2C1=[NH2+] ZINC000044995280 175287316 /nfs/dbraw/zinc/28/73/16/175287316.db2.gz NKLFBTAIYPIAKL-LLVKDONJSA-N 1 0 259.353 2.132 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1cnn(C)c1)n1ccnc1-c1cccs1 ZINC000045047760 175297146 /nfs/dbraw/zinc/29/71/46/175297146.db2.gz BZEKPOSUICCTSI-MFKMUULPSA-N 1 0 287.392 2.282 10 0 CEAERO CCCNC(=O)CC[NH2+][C@H]1CCCc2cc(O)ccc21 ZINC000045073081 175302537 /nfs/dbraw/zinc/30/25/37/175302537.db2.gz KWDANNMHTNFHFX-HNNXBMFYSA-N 1 0 276.380 2.276 10 0 CEAERO CN(CC(C)(C)C)C(=O)[C@H](C[NH3+])Cc1ccccc1 ZINC000045085685 175303700 /nfs/dbraw/zinc/30/37/00/175303700.db2.gz ILTFJKGPGTYPDB-AWEZNQCLSA-N 1 0 262.397 2.309 10 0 CEAERO CCC[N@H+](CC(N)=S)Cc1cccc(F)c1F ZINC000045093441 175306979 /nfs/dbraw/zinc/30/69/79/175306979.db2.gz WDSAIHDUIKZAMR-UHFFFAOYSA-N 1 0 258.337 2.463 10 0 CEAERO CC(C)CCOCCNC(=O)C1(C[NH3+])CCCCCC1 ZINC000045107960 175308121 /nfs/dbraw/zinc/30/81/21/175308121.db2.gz MJRJNHAZUSOILD-UHFFFAOYSA-N 1 0 284.444 2.465 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)NCCCCn1ccnc1 ZINC000045107997 175308969 /nfs/dbraw/zinc/30/89/69/175308969.db2.gz YRIJDLFYUBHNLO-UHFFFAOYSA-N 1 0 294.443 2.325 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(NC(=O)NCc2cnn(C)c2)cc1 ZINC000045141500 175315881 /nfs/dbraw/zinc/31/58/81/175315881.db2.gz IRMSTJUKVVFTOU-NSHDSACASA-N 1 0 287.367 2.022 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)NC)c1C ZINC000045171260 175321096 /nfs/dbraw/zinc/32/10/96/175321096.db2.gz FBHWPZURXUGUTN-RISCZKNCSA-N 1 0 294.443 2.331 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]C2CCC(C(N)=O)CC2)c1C ZINC000045171198 175321175 /nfs/dbraw/zinc/32/11/75/175321175.db2.gz OZBXMVWBCQWMQF-FNBIGBAISA-N 1 0 292.427 2.215 10 0 CEAERO Cc1nn(C)c(C)c1[C@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC000045171958 175321536 /nfs/dbraw/zinc/32/15/36/175321536.db2.gz KGQRRRDPDMFBHQ-GWCFXTLKSA-N 1 0 251.374 2.114 10 0 CEAERO CCCN[C@](C)(C[N@@H+]1CCC[C@@H]1CC)C(=O)OCC ZINC000045221186 175330082 /nfs/dbraw/zinc/33/00/82/175330082.db2.gz MIDQYYVHDSRXPX-DZGCQCFKSA-N 1 0 270.417 2.182 10 0 CEAERO CCOC(=O)[C@](C[N@@H+]1CCC[C@@H]1C)(NC)c1ccccc1 ZINC000045221471 175330178 /nfs/dbraw/zinc/33/01/78/175330178.db2.gz ZMYLZWVLMNGBBC-WMLDXEAASA-N 1 0 290.407 2.149 10 0 CEAERO CCCC[N@H+](CC)CC[C@](C)(NC(C)C)C(=O)OC ZINC000045223417 175331647 /nfs/dbraw/zinc/33/16/47/175331647.db2.gz LFUMXIMTAOYYCD-HNNXBMFYSA-N 1 0 272.433 2.428 10 0 CEAERO CCC[NH+](CCC)CC[C@](C)(NC)C(=O)OCC ZINC000045230454 175334736 /nfs/dbraw/zinc/33/47/36/175334736.db2.gz ZHJLFQCNVVXVND-AWEZNQCLSA-N 1 0 258.406 2.040 10 0 CEAERO CCN[C@](C)(C[N@H+](C)C1CCCCC1)C(=O)OCC ZINC000045231151 175335175 /nfs/dbraw/zinc/33/51/75/175335175.db2.gz KJFNFQJRXDLGMM-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CCCC[NH+](CCCC)CC[C@](C)(N)C(=O)OC ZINC000045232767 175336205 /nfs/dbraw/zinc/33/62/05/175336205.db2.gz PZZUUGJCZXDARH-AWEZNQCLSA-N 1 0 258.406 2.169 10 0 CEAERO CCOC(=O)[C@](C)(C[N@H+](C)[C@@H](C)CC)NC(C)C ZINC000045263899 175337788 /nfs/dbraw/zinc/33/77/88/175337788.db2.gz KKPLZUYOXDXUDO-JSGCOSHPSA-N 1 0 258.406 2.037 10 0 CEAERO CCCN[C@](C)(CC[N@H+](CC)CC(C)C)C(=O)OC ZINC000045264218 175337828 /nfs/dbraw/zinc/33/78/28/175337828.db2.gz VWGQONVKCZCZCT-OAHLLOKOSA-N 1 0 272.433 2.286 10 0 CEAERO CCCN[C@@](C[N@H+](C)CCC)(C(=O)OC)c1ccccc1 ZINC000045264330 175338491 /nfs/dbraw/zinc/33/84/91/175338491.db2.gz XIEVNQHXSREGOQ-QGZVFWFLSA-N 1 0 292.423 2.396 10 0 CEAERO CCC[NH2+][C@@](C)(CC[N@H+](C)C1CCCC1)C(=O)[O-] ZINC000045266213 175339040 /nfs/dbraw/zinc/33/90/40/175339040.db2.gz QCIHFPILMOCJLE-AWEZNQCLSA-N 1 0 256.390 2.094 10 0 CEAERO CCC[N@H+](CC)C[C@](C)(NC(C)C)C(=O)OCC ZINC000045267586 175339899 /nfs/dbraw/zinc/33/98/99/175339899.db2.gz XLVBECAOTBIQSA-AWEZNQCLSA-N 1 0 258.406 2.038 10 0 CEAERO CC[NH2+][C@](C)(CC[N@H+](CC)C1CCCC1)C(=O)[O-] ZINC000045269261 175340439 /nfs/dbraw/zinc/34/04/39/175340439.db2.gz FLFDXAMGXULLQG-CQSZACIVSA-N 1 0 256.390 2.094 10 0 CEAERO CCOC(=O)[C@](C)(C[N@H+](C)C1CCCCCC1)NC ZINC000045271898 175342048 /nfs/dbraw/zinc/34/20/48/175342048.db2.gz WQIHNBHBSOYIJV-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CCC[N@H+](CC[C@](C)(NCC)C(=O)OCC)CC1CC1 ZINC000045276915 175346397 /nfs/dbraw/zinc/34/63/97/175346397.db2.gz WQEYXFZSJANUCZ-INIZCTEOSA-N 1 0 284.444 2.430 10 0 CEAERO CC[NH2+][C@](C)(CC[N@H+](C)[C@@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000045279068 175348942 /nfs/dbraw/zinc/34/89/42/175348942.db2.gz ULRUJWPMODOJAX-GZBFAFLISA-N 1 0 270.417 2.340 10 0 CEAERO CCCCC[N@H+](CC[C@](C)(NCC)C(N)=O)C(C)C ZINC000045278639 175349283 /nfs/dbraw/zinc/34/92/83/175349283.db2.gz NXYWAPIWSLYZAT-HNNXBMFYSA-N 1 0 271.449 2.131 10 0 CEAERO CCOC(=O)[C@@](C)(C[N@H+](C)C1CCC(C)CC1)NC ZINC000045280527 175350079 /nfs/dbraw/zinc/35/00/79/175350079.db2.gz MYTNLVFMPUVSSU-SSDMNJCBSA-N 1 0 270.417 2.038 10 0 CEAERO CC[NH2+][C@@](C)(CC[N@H+](C)[C@@H](C)CC(C)C)C(=O)[O-] ZINC000045279986 175350140 /nfs/dbraw/zinc/35/01/40/175350140.db2.gz SXLBRGIPPLKMKG-JSGCOSHPSA-N 1 0 258.406 2.196 10 0 CEAERO CCOC(=O)[C@@](C)(C[N@H+](CC(C)C)C(C)C)NC1CC1 ZINC000045280723 175350999 /nfs/dbraw/zinc/35/09/99/175350999.db2.gz XCJJWKUERJTXCO-MRXNPFEDSA-N 1 0 284.444 2.427 10 0 CEAERO CCC[NH2+][C@](C)(CC[N@H+](CC1CC1)C(C)C)C(=O)[O-] ZINC000045281011 175351239 /nfs/dbraw/zinc/35/12/39/175351239.db2.gz PGDSJCKREAISOS-OAHLLOKOSA-N 1 0 270.417 2.340 10 0 CEAERO CCOC(=O)[C@@](C)(CC[N@H+](C)CCC(C)C)NC1CC1 ZINC000045281317 175351742 /nfs/dbraw/zinc/35/17/42/175351742.db2.gz CIIZSHZOALOMCA-MRXNPFEDSA-N 1 0 284.444 2.428 10 0 CEAERO CCC1CC[NH+](CC[C@](C)(NC2CC2)C(=O)OC)CC1 ZINC000045281478 175352780 /nfs/dbraw/zinc/35/27/80/175352780.db2.gz IYZZBUXERQNOIQ-INIZCTEOSA-N 1 0 282.428 2.182 10 0 CEAERO COC(=O)[C@](C)(C[N@H+](C)CC1CCCCC1)NC1CC1 ZINC000045281595 175352844 /nfs/dbraw/zinc/35/28/44/175352844.db2.gz MCNHVNOBRIDONJ-INIZCTEOSA-N 1 0 282.428 2.182 10 0 CEAERO CCOC(=O)[C@@](C)(N)CCCC[N@@H+]1CCC[C@@H]1CC ZINC000045367368 175363273 /nfs/dbraw/zinc/36/32/73/175363273.db2.gz UTDFGHPGVBVQGU-ZFWWWQNUSA-N 1 0 270.417 2.312 10 0 CEAERO CN[C@@H](C[NH+](C1CCCCC1)C1CCCCC1)C(N)=O ZINC000045369244 175363753 /nfs/dbraw/zinc/36/37/53/175363753.db2.gz JQHLGAKGYSLLFN-HNNXBMFYSA-N 1 0 281.444 2.027 10 0 CEAERO CC[N@H+](CCC[C@](C)([NH3+])C(=O)[O-])C1CCCCC1 ZINC000045372039 175364101 /nfs/dbraw/zinc/36/41/01/175364101.db2.gz BUIHBZZHTJYVED-AWEZNQCLSA-N 1 0 256.390 2.223 10 0 CEAERO CCC[NH2+][C@@](C)(CCCN1CCc2ccccc21)C(N)=O ZINC000045372852 175365202 /nfs/dbraw/zinc/36/52/02/175365202.db2.gz KAIMEUHRUNXCET-KRWDZBQOSA-N 1 0 289.423 2.073 10 0 CEAERO CCN[C@](C)(CCC[NH+]1CCC(C)CC1)C(=O)OC ZINC000045374964 175365689 /nfs/dbraw/zinc/36/56/89/175365689.db2.gz NHDMAAAIRVJUQI-OAHLLOKOSA-N 1 0 270.417 2.040 10 0 CEAERO CC1CC[NH+](CCC[C@@](C)([NH2+]C2CC2)C(=O)[O-])CC1 ZINC000045374908 175365945 /nfs/dbraw/zinc/36/59/45/175365945.db2.gz OTNGKPGEWILAJJ-OAHLLOKOSA-N 1 0 268.401 2.094 10 0 CEAERO CCC[NH2+][C@@](C)(CCC[N@@H+]1CCCC[C@@H]1C)C(=O)[O-] ZINC000045376113 175366502 /nfs/dbraw/zinc/36/65/02/175366502.db2.gz VUBQDLSOKLPXMD-ZFWWWQNUSA-N 1 0 270.417 2.484 10 0 CEAERO CCC[NH2+][C@](C)(CCC[NH+]1CCCCCC1)C(=O)[O-] ZINC000045377496 175367237 /nfs/dbraw/zinc/36/72/37/175367237.db2.gz CEQFRYIXTXLMTN-OAHLLOKOSA-N 1 0 270.417 2.486 10 0 CEAERO CC(C)[NH2+][C@](C)(CCCC[N@H+](C)C(C)C)C(=O)[O-] ZINC000045377943 175367854 /nfs/dbraw/zinc/36/78/54/175367854.db2.gz OOKNUPFDMCZFBW-CQSZACIVSA-N 1 0 258.406 2.338 10 0 CEAERO CCC[NH+](CCC)CCC[C@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000045378579 175367868 /nfs/dbraw/zinc/36/78/68/175367868.db2.gz UDBVLLDRZRQQPC-HNNXBMFYSA-N 1 0 270.417 2.484 10 0 CEAERO CCCN[C@](C)(CCC[N@H+](C)CC(C)C)C(=O)OC ZINC000045381017 175369641 /nfs/dbraw/zinc/36/96/41/175369641.db2.gz TXTQWVXUVDIXQS-OAHLLOKOSA-N 1 0 272.433 2.286 10 0 CEAERO CCCN[C@@](C)(CCC[N@H+](CC)C(C)C)C(=O)OC ZINC000045383854 175371039 /nfs/dbraw/zinc/37/10/39/175371039.db2.gz JAGLEZWSMIJFAK-HNNXBMFYSA-N 1 0 272.433 2.428 10 0 CEAERO CC[NH2+][C@@](C)(CCC[N@@H+]1CCCC[C@@H]1CC)C(=O)[O-] ZINC000045384203 175371316 /nfs/dbraw/zinc/37/13/16/175371316.db2.gz RYHYOJIFUYZORD-ZFWWWQNUSA-N 1 0 270.417 2.484 10 0 CEAERO CCOC(=O)[C@](C)(CCC[N@H+](C)CC)NC(C)C ZINC000045382909 175371353 /nfs/dbraw/zinc/37/13/53/175371353.db2.gz IQVTXXJJAMPTHI-AWEZNQCLSA-N 1 0 258.406 2.038 10 0 CEAERO CCN[C@@](C)(CCC[N@H+](CC)[C@@H](C)CC)C(=O)OC ZINC000045385485 175372064 /nfs/dbraw/zinc/37/20/64/175372064.db2.gz RVRJXJLXGMRFBN-ZFWWWQNUSA-N 1 0 272.433 2.428 10 0 CEAERO CCC[N@H+](CCC[C@](C)([NH2+]CC)C(=O)[O-])C1CC1 ZINC000045387516 175373067 /nfs/dbraw/zinc/37/30/67/175373067.db2.gz NYPCZONZTQVVKI-AWEZNQCLSA-N 1 0 256.390 2.094 10 0 CEAERO CCC[N@H+](CC)CCCC[C@](C)(NC)C(=O)OC ZINC000045386879 175373146 /nfs/dbraw/zinc/37/31/46/175373146.db2.gz QUMUTCSJVIFPCL-AWEZNQCLSA-N 1 0 258.406 2.040 10 0 CEAERO CC[NH2+][C@@](C)(CCC[N@H+](C)C[C@@H](C)CC)C(=O)[O-] ZINC000045388582 175373777 /nfs/dbraw/zinc/37/37/77/175373777.db2.gz WGGKHLPGAOTVHB-JSGCOSHPSA-N 1 0 258.406 2.197 10 0 CEAERO C[N@H+](CCC[C@@](C)([NH3+])C(=O)[O-])C1CCCCCC1 ZINC000045419026 175377046 /nfs/dbraw/zinc/37/70/46/175377046.db2.gz DOXPCRJIUJBDRQ-CQSZACIVSA-N 1 0 256.390 2.223 10 0 CEAERO CCN(CCCC[C@@](C)([NH2+]C)C(N)=O)c1cccc(C)c1 ZINC000045420042 175378616 /nfs/dbraw/zinc/37/86/16/175378616.db2.gz WHJGGHKLFRZGDZ-QGZVFWFLSA-N 1 0 291.439 2.455 10 0 CEAERO CCOC(=O)[C@H](C[NH+](CC(C)C)CC(C)C)NC1CC1 ZINC000045420382 175378637 /nfs/dbraw/zinc/37/86/37/175378637.db2.gz XHROCDZPTANLES-HNNXBMFYSA-N 1 0 284.444 2.284 10 0 CEAERO CC1CC(C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)C1 ZINC000658940984 415367504 /nfs/dbraw/zinc/36/75/04/415367504.db2.gz BWRPOTCDCGMXBI-JYVUQVBGSA-N 1 0 264.413 2.413 10 0 CEAERO COC[C@]1(C(=O)Nc2cc(Cl)ccc2OC)CCC[NH2+]1 ZINC000659270839 415481321 /nfs/dbraw/zinc/48/13/21/415481321.db2.gz HZFLSLQRWQHWRJ-AWEZNQCLSA-N 1 0 298.770 2.056 10 0 CEAERO CCC(C)(C)[C@H](C)NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000659339955 415528315 /nfs/dbraw/zinc/52/83/15/415528315.db2.gz OSVGCOHMMQWPKT-GXTWGEPZSA-N 1 0 262.397 2.497 10 0 CEAERO CC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000659387268 415557125 /nfs/dbraw/zinc/55/71/25/415557125.db2.gz YDFWXZSHANUUPL-HVUVFQHFSA-N 1 0 250.386 2.151 10 0 CEAERO CC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000659386129 415558932 /nfs/dbraw/zinc/55/89/32/415558932.db2.gz MMDMDJGDZSROGZ-HVUVFQHFSA-N 1 0 250.386 2.164 10 0 CEAERO CCN1CCO[C@@H](C[NH3+])[C@@H]1c1cccc(OC(C)C)c1 ZINC000070287895 175886268 /nfs/dbraw/zinc/88/62/68/175886268.db2.gz GHLXJDXRTBXFKG-HOTGVXAUSA-N 1 0 278.396 2.194 10 0 CEAERO CC[C@@H](C)N(CC)S(=O)(=O)c1cccc(F)c1C[NH3+] ZINC000070394326 175908690 /nfs/dbraw/zinc/90/86/90/175908690.db2.gz NMUFRZWIKCLKLJ-SNVBAGLBSA-N 1 0 288.388 2.094 10 0 CEAERO COc1ccc([C@@H](O)[C@@H]2C[C@@H](C)CC[NH2+]2)cc1OC ZINC000070398861 175909897 /nfs/dbraw/zinc/90/98/97/175909897.db2.gz XYFNXUQAKRMUTK-ITDIGPHOSA-N 1 0 265.353 2.125 10 0 CEAERO C[C@@H]1CCCCCN1S(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000070409193 175913998 /nfs/dbraw/zinc/91/39/98/175913998.db2.gz RIDCVQABMDCCEC-GFCCVEGCSA-N 1 0 282.409 2.099 10 0 CEAERO O=C(Nc1cnn(C2CC[NH2+]CC2)c1)[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000070442923 175935164 /nfs/dbraw/zinc/93/51/64/175935164.db2.gz YOYZXRAMNQODBR-ZOWXZIJZSA-N 1 0 288.395 2.182 10 0 CEAERO CC(C)c1nc(-c2ccccn2)cc(N2CC[C@H]([NH3+])C2)n1 ZINC000070455975 175940431 /nfs/dbraw/zinc/94/04/31/175940431.db2.gz HCAACCYAMTZWBQ-LBPRGKRZSA-N 1 0 283.379 2.199 10 0 CEAERO Cc1cc([C@H](C)N2CCC[C@@H]([NH3+])C2=O)c(C)s1 ZINC000070494994 175956415 /nfs/dbraw/zinc/95/64/15/175956415.db2.gz GLSISVSKXQRSAG-JOYOIKCWSA-N 1 0 252.383 2.376 10 0 CEAERO CCOC(=O)[C@](C)(CC[NH+](CC1CC1)CC1CC1)NC ZINC000070506711 175959029 /nfs/dbraw/zinc/95/90/29/175959029.db2.gz FHZBVIPSWIHGRP-INIZCTEOSA-N 1 0 282.428 2.040 10 0 CEAERO CC(C)[NH2+][C@@](CO)(Cn1ncc2ccccc21)C1CC1 ZINC000070515674 175964149 /nfs/dbraw/zinc/96/41/49/175964149.db2.gz RPILVKOLWWKLBX-MRXNPFEDSA-N 1 0 273.380 2.175 10 0 CEAERO CCC[NH2+][C@@](C)(CO)CCCO[C@H]1CCC[C@H](OC)C1 ZINC000070516484 175965422 /nfs/dbraw/zinc/96/54/22/175965422.db2.gz OWCXQSSNQMKIGY-HRCADAONSA-N 1 0 287.444 2.491 10 0 CEAERO CCOc1ccccc1OCC[C@@](C)(CO)[NH2+]C1CC1 ZINC000070518385 175965956 /nfs/dbraw/zinc/96/59/56/175965956.db2.gz WHRVFPDTGXIDQO-INIZCTEOSA-N 1 0 279.380 2.357 10 0 CEAERO Cc1ccc2cccc(O[C@H](C)C[C@](C)(O)C[NH3+])c2n1 ZINC000070522039 175967815 /nfs/dbraw/zinc/96/78/15/175967815.db2.gz GVJQOOPQPYKPHQ-WBMJQRKESA-N 1 0 274.364 2.410 10 0 CEAERO CC(C)[NH2+]C[C@H](C)Cn1cnc2ccccc2c1=O ZINC000070527073 175971381 /nfs/dbraw/zinc/97/13/81/175971381.db2.gz QCIXLUYBEFVURU-LBPRGKRZSA-N 1 0 259.353 2.031 10 0 CEAERO [NH3+]CCc1ccc(C(=O)NCCC2CCCC2)cc1 ZINC000070541876 175977239 /nfs/dbraw/zinc/97/72/39/175977239.db2.gz BLFWNMOPCIWPPT-UHFFFAOYSA-N 1 0 260.381 2.498 10 0 CEAERO COc1ccc(C)cc1CN(C)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000070577682 175993240 /nfs/dbraw/zinc/99/32/40/175993240.db2.gz MSLWVXRIGPPTJN-UKRRQHHQSA-N 1 0 290.407 2.480 10 0 CEAERO C[C@H](NCc1cnccc1C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000665299433 415687646 /nfs/dbraw/zinc/68/76/46/415687646.db2.gz MYKOSKNMLPKCNO-UWVGGRQHSA-N 1 0 273.302 2.188 10 0 CEAERO CC(C)(C)OCc1cccc(CNC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000070817257 176006845 /nfs/dbraw/zinc/00/68/45/176006845.db2.gz ADJQVKCJPANMQV-OAHLLOKOSA-N 1 0 290.407 2.370 10 0 CEAERO CC[NH2+][C@H](C)c1csc(N2CCSCC2)n1 ZINC000070844757 176008714 /nfs/dbraw/zinc/00/87/14/176008714.db2.gz XCNPAWBXGUJMKA-SECBINFHSA-N 1 0 257.428 2.367 10 0 CEAERO [NH3+]CCN(C(=O)[C@@H]1C[C@H]2CC[C@@H]1C2)C1CCCC1 ZINC000070943717 176016589 /nfs/dbraw/zinc/01/65/89/176016589.db2.gz DROCROTZDIKAEV-OUCADQQQSA-N 1 0 250.386 2.153 10 0 CEAERO [NH3+]CCN(C(=O)c1cccc(F)c1F)C1CCCC1 ZINC000070943674 176016627 /nfs/dbraw/zinc/01/66/27/176016627.db2.gz QXBCCBUSYRNXCP-UHFFFAOYSA-N 1 0 268.307 2.308 10 0 CEAERO C[NH2+]Cc1cccnc1-n1cc(C(F)(F)F)cn1 ZINC000070989829 176019170 /nfs/dbraw/zinc/01/91/70/176019170.db2.gz PUNLTVRNDVQQAB-UHFFFAOYSA-N 1 0 256.231 2.006 10 0 CEAERO C[C@H](Cc1ccc(F)cc1)N1CC[C@H]([NH2+]C2CC2)C1=O ZINC000071031262 176022325 /nfs/dbraw/zinc/02/23/25/176022325.db2.gz SJZOZMRXHPRTCO-ABAIWWIYSA-N 1 0 276.355 2.110 10 0 CEAERO C[C@@H](Cc1ccccc1)N1CCC[C@H]([NH2+]C2CC2)C1=O ZINC000071031359 176022530 /nfs/dbraw/zinc/02/25/30/176022530.db2.gz SRMZUWLFRWLRNP-BBRMVZONSA-N 1 0 272.392 2.361 10 0 CEAERO CC[NH2+][C@H]1CCCN([C@@H]2C[C@@H]2c2ccccc2)C1=O ZINC000071031701 176023104 /nfs/dbraw/zinc/02/31/04/176023104.db2.gz PFLKCKYRTUXKRV-QLFBSQMISA-N 1 0 258.365 2.143 10 0 CEAERO C[NH2+][C@@H]1CCCN([C@@H](C)CCc2ccccc2)C1=O ZINC000071035105 176024544 /nfs/dbraw/zinc/02/45/44/176024544.db2.gz DCDTTZPXISRRJD-DZGCQCFKSA-N 1 0 260.381 2.218 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN(c2ccc3c(c2)CCC3)C1=O ZINC000071037839 176026809 /nfs/dbraw/zinc/02/68/09/176026809.db2.gz WIWRDTUGZAYJKK-OAHLLOKOSA-N 1 0 258.365 2.279 10 0 CEAERO CC(C)[NH2+][C@H]1CCN([C@H](C)c2cccs2)C1=O ZINC000071040243 176027587 /nfs/dbraw/zinc/02/75/87/176027587.db2.gz DCJYNXCZTBLZKI-MNOVXSKESA-N 1 0 252.383 2.408 10 0 CEAERO CC[NH2+][C@@H]1CCCN([C@H](C)c2cccs2)C1=O ZINC000071040265 176027647 /nfs/dbraw/zinc/02/76/47/176027647.db2.gz FCWUBZNQTARLRV-GHMZBOCLSA-N 1 0 252.383 2.410 10 0 CEAERO CC[NH2+][C@@H]1CCCN(Cc2cccc(OCC)c2)C1=O ZINC000071041338 176027983 /nfs/dbraw/zinc/02/79/83/176027983.db2.gz ULNOMQCWWPDCOO-OAHLLOKOSA-N 1 0 276.380 2.186 10 0 CEAERO CC[NH2+][C@H]1CCCN(c2cc(F)c(F)cc2F)C1=O ZINC000071042655 176028405 /nfs/dbraw/zinc/02/84/05/176028405.db2.gz WMQHAQQYGQYLHU-NSHDSACASA-N 1 0 272.270 2.209 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCCN1c1cnc2ccccc2c1 ZINC000071042728 176029028 /nfs/dbraw/zinc/02/90/28/176029028.db2.gz HCQQZYMBDWOISC-MRXNPFEDSA-N 1 0 281.359 2.482 10 0 CEAERO C[C@H](Cc1cccs1)N1CC[C@H]([NH2+]C2CC2)C1=O ZINC000071043801 176029763 /nfs/dbraw/zinc/02/97/63/176029763.db2.gz SEJBPTSSDCSBQC-MFKMUULPSA-N 1 0 264.394 2.032 10 0 CEAERO CCN(C[C@H]1OCCc2ccccc21)C(C)(C)C[NH3+] ZINC000071044818 176030041 /nfs/dbraw/zinc/03/00/41/176030041.db2.gz XPQXIOJAILWPMT-OAHLLOKOSA-N 1 0 262.397 2.360 10 0 CEAERO COCC[NH2+]C[C@H]1CCCN(Cc2ccc(OC)cc2)C1 ZINC000071137986 176036269 /nfs/dbraw/zinc/03/62/69/176036269.db2.gz KZBYBIRBQBRCAZ-MRXNPFEDSA-N 1 0 292.423 2.143 10 0 CEAERO CC(C)CC[C@@H]([NH3+])c1ccc2c(c1)C(=O)N(C)C(=O)C2 ZINC000071139402 176038086 /nfs/dbraw/zinc/03/80/86/176038086.db2.gz CCWZZIFMQDDLBQ-CQSZACIVSA-N 1 0 274.364 2.277 10 0 CEAERO CC[C@H]1CCCC[C@@]1(CN)[N@H+](CCCOC)CCOC ZINC000071161920 176046175 /nfs/dbraw/zinc/04/61/75/176046175.db2.gz KNSRLTBGGHZJBT-HOTGVXAUSA-N 1 0 286.460 2.269 10 0 CEAERO CC[C@@H]1CCCC[C@]1(C[NH3+])N1CC[N@H+](C)C(C)(C)C1 ZINC000071162261 176046574 /nfs/dbraw/zinc/04/65/74/176046574.db2.gz ACZRNAHRAHNJOE-GDBMZVCRSA-N 1 0 267.461 2.310 10 0 CEAERO CC[C@@H]1CCCC[C@@]1(CO)[NH2+]CCN(CC)CC ZINC000071163599 176047150 /nfs/dbraw/zinc/04/71/50/176047150.db2.gz WCOPZYMJWZNUDR-CABCVRRESA-N 1 0 256.434 2.249 10 0 CEAERO C[NH2+]C[C@H]1CC[C@H](COc2cc(F)ccc2F)O1 ZINC000071168729 176049864 /nfs/dbraw/zinc/04/98/64/176049864.db2.gz ZSFOKZQPGQWEHM-GHMZBOCLSA-N 1 0 257.280 2.111 10 0 CEAERO CCOc1cncc(N2CC[NH2+]Cc3ccccc32)n1 ZINC000071176114 176054859 /nfs/dbraw/zinc/05/48/59/176054859.db2.gz NQCBBASPYJPHNH-UHFFFAOYSA-N 1 0 270.336 2.117 10 0 CEAERO Cc1ccc(O[C@H]2CCN(C)C2=O)c(C[NH2+]C(C)C)c1 ZINC000071183241 176058615 /nfs/dbraw/zinc/05/86/15/176058615.db2.gz MCWXLSHCODEVHY-HNNXBMFYSA-N 1 0 276.380 2.103 10 0 CEAERO Cc1ccc(O[C@@H]2CCN(C)C2=O)c(C[NH2+]C(C)C)c1 ZINC000071183240 176058708 /nfs/dbraw/zinc/05/87/08/176058708.db2.gz MCWXLSHCODEVHY-OAHLLOKOSA-N 1 0 276.380 2.103 10 0 CEAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cccc2[nH]ccc21 ZINC000071192954 176074220 /nfs/dbraw/zinc/07/42/20/176074220.db2.gz VVPYRBAWTFNMAI-GFCCVEGCSA-N 1 0 271.364 2.192 10 0 CEAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cc2ccccc2[nH]1 ZINC000071192951 176074325 /nfs/dbraw/zinc/07/43/25/176074325.db2.gz GWACQEBTHDMUTB-LBPRGKRZSA-N 1 0 271.364 2.192 10 0 CEAERO CN(C[C@@H]1CC[N@H+](C)C1)c1nc(C(C)(C)C)c(CO)s1 ZINC000071192645 176074839 /nfs/dbraw/zinc/07/48/39/176074839.db2.gz JLWDCTYJYZVBEU-LLVKDONJSA-N 1 0 297.468 2.321 10 0 CEAERO COc1ccc(CCN2CC[C@H]([NH2+]C(C)C)C2)cc1OC ZINC000071198241 176077094 /nfs/dbraw/zinc/07/70/94/176077094.db2.gz QERBONCCFDRGTB-HNNXBMFYSA-N 1 0 292.423 2.319 10 0 CEAERO CC[NH2+][C@@H]1CCCN(CCc2nc(C)cs2)C1 ZINC000071200227 176077103 /nfs/dbraw/zinc/07/71/03/176077103.db2.gz ZAWJAJRYPDWWRF-GFCCVEGCSA-N 1 0 253.415 2.068 10 0 CEAERO CC[NH2+][C@H]1CCCN(CCc2ccccc2F)C1 ZINC000071198509 176077167 /nfs/dbraw/zinc/07/71/67/176077167.db2.gz GLBYOZIPQMVBSF-AWEZNQCLSA-N 1 0 250.361 2.442 10 0 CEAERO COc1cc(F)ccc1N1CC[C@H]([NH2+]C2CC2)C1 ZINC000071200908 176077914 /nfs/dbraw/zinc/07/79/14/176077914.db2.gz DGPNGQSJGCGHEJ-LBPRGKRZSA-N 1 0 250.317 2.165 10 0 CEAERO CCOC(=O)c1ncsc1NCC[N@H+](C)C(C)C ZINC000071201914 176078318 /nfs/dbraw/zinc/07/83/18/176078318.db2.gz IYOSRZLILJNJKQ-UHFFFAOYSA-N 1 0 271.386 2.072 10 0 CEAERO O=c1ccc(C(F)(F)F)cn1CC[NH2+]C1CCCC1 ZINC000071212190 176084381 /nfs/dbraw/zinc/08/43/81/176084381.db2.gz PGSBZKUFPSSQDU-UHFFFAOYSA-N 1 0 274.286 2.399 10 0 CEAERO COCC[N@H+](CCC(N)=S)Cc1ccccc1Cl ZINC000071225902 176089733 /nfs/dbraw/zinc/08/97/33/176089733.db2.gz LKYCTYXYQRMSGC-UHFFFAOYSA-N 1 0 286.828 2.465 10 0 CEAERO CN(Cc1ccccn1)Cc1ccc(F)cc1C[NH3+] ZINC000071250425 176095177 /nfs/dbraw/zinc/09/51/77/176095177.db2.gz NWACHPSEIQHVIU-UHFFFAOYSA-N 1 0 259.328 2.311 10 0 CEAERO COC[C@H](O)C[NH2+]C1c2ccccc2Cc2ccccc21 ZINC000071264326 176097298 /nfs/dbraw/zinc/09/72/98/176097298.db2.gz XEMUOHJQMLVBNC-OAHLLOKOSA-N 1 0 283.371 2.277 10 0 CEAERO C[NH2+]CCCCCCOc1ccc(S(C)(=O)=O)cc1 ZINC000071291369 176110191 /nfs/dbraw/zinc/11/01/91/176110191.db2.gz OCEASCUEOJRYBF-UHFFFAOYSA-N 1 0 285.409 2.249 10 0 CEAERO CCOC(=O)CCCCC[NH2+]CCC(=O)N[C@@H](C)CC ZINC000071293633 176111432 /nfs/dbraw/zinc/11/14/32/176111432.db2.gz ZZACAPXLUZNNMM-ZDUSSCGKSA-N 1 0 286.416 2.004 10 0 CEAERO CCOC(=O)CCCCCn1nc(C)c(C[NH3+])c1C ZINC000071297838 176112752 /nfs/dbraw/zinc/11/27/52/176112752.db2.gz KLZQUCNTHLGRQY-UHFFFAOYSA-N 1 0 267.373 2.082 10 0 CEAERO COc1ccc(C2CC([NH2+]C[C@@H](O)C3CC3)C2)cc1 ZINC000071301188 176114137 /nfs/dbraw/zinc/11/41/37/176114137.db2.gz HMGVDLOKEUDBAV-ZBCRRDGASA-N 1 0 261.365 2.302 10 0 CEAERO Cn1c2ccccc2nc1[C@@H]1C[NH2+]C[C@@H](C2CC2)O1 ZINC000071308775 176116195 /nfs/dbraw/zinc/11/61/95/176116195.db2.gz BVMFZKOGWUKYIV-KBPBESRZSA-N 1 0 257.337 2.013 10 0 CEAERO COc1ccc([C@H]2C[NH2+]C[C@H](C3CC3)O2)c(OC)c1 ZINC000071308552 176116349 /nfs/dbraw/zinc/11/63/49/176116349.db2.gz NWHYVGUTITVLGR-HUUCEWRRSA-N 1 0 263.337 2.143 10 0 CEAERO COc1ccc(OC)c([C@H]2C[NH2+]C[C@@H](C3CC3)O2)c1 ZINC000071308637 176116389 /nfs/dbraw/zinc/11/63/89/176116389.db2.gz LJALLVFLBRDTAS-LSDHHAIUSA-N 1 0 263.337 2.143 10 0 CEAERO CN(Cc1cc(Cl)cc2c1OCOC2)[C@@H]1CC[NH2+]C1 ZINC000071310595 176117623 /nfs/dbraw/zinc/11/76/23/176117623.db2.gz NPJLWNCDJZNOME-CYBMUJFWSA-N 1 0 282.771 2.000 10 0 CEAERO CN(Cc1cc(Cl)cc2c1OCOC2)[C@H]1CC[NH2+]C1 ZINC000071310596 176117715 /nfs/dbraw/zinc/11/77/15/176117715.db2.gz NPJLWNCDJZNOME-ZDUSSCGKSA-N 1 0 282.771 2.000 10 0 CEAERO CN(Cc1noc(-c2ccccc2Cl)n1)[C@H]1CC[NH2+]C1 ZINC000071310889 176118132 /nfs/dbraw/zinc/11/81/32/176118132.db2.gz PWPKCSRLZWYHCU-JTQLQIEISA-N 1 0 292.770 2.184 10 0 CEAERO CCN(C(=O)c1ccc(Cl)cc1F)[C@@H]1CC[NH2+]C1 ZINC000071312600 176119128 /nfs/dbraw/zinc/11/91/28/176119128.db2.gz OJIJLHQNBIYUGU-SNVBAGLBSA-N 1 0 270.735 2.303 10 0 CEAERO CCN(Cc1cc(Cl)cc2c1OCOC2)[C@H]1CC[NH2+]C1 ZINC000071313027 176119810 /nfs/dbraw/zinc/11/98/10/176119810.db2.gz RIXFJKOMCRLWMH-AWEZNQCLSA-N 1 0 296.798 2.390 10 0 CEAERO CCN(Cc1nnc(-c2cc(C)oc2C)o1)[C@@H]1CC[NH2+]C1 ZINC000071313296 176119866 /nfs/dbraw/zinc/11/98/66/176119866.db2.gz XKWBZVFLQYOZQS-GFCCVEGCSA-N 1 0 290.367 2.130 10 0 CEAERO Cc1ccc(C)c(C(=O)NC[C@H]2[NH2+]CCC[C@@H]2C)c1 ZINC000071338682 176129118 /nfs/dbraw/zinc/12/91/18/176129118.db2.gz IDOUKOUKZCRAMV-DZGCQCFKSA-N 1 0 260.381 2.421 10 0 CEAERO Cc1ccc(F)cc1C(=O)NC[C@H]1[NH2+]CCC[C@@H]1C ZINC000071338874 176129474 /nfs/dbraw/zinc/12/94/74/176129474.db2.gz SUMHOHLORUINPN-SMDDNHRTSA-N 1 0 264.344 2.252 10 0 CEAERO COc1c(C)cnc(CN2CC(C)(C)[NH2+]C[C@@H]2C)c1C ZINC000071342212 176130536 /nfs/dbraw/zinc/13/05/36/176130536.db2.gz YEGBPFSTQWWWQT-LBPRGKRZSA-N 1 0 277.412 2.279 10 0 CEAERO CC[C@H]1CN(Cc2cccc(OC)n2)[C@H](C2CC2)C[NH2+]1 ZINC000071344111 176130965 /nfs/dbraw/zinc/13/09/65/176130965.db2.gz GOBHDXAKGPYBFA-ZFWWWQNUSA-N 1 0 275.396 2.053 10 0 CEAERO CCC[C@H]1C[NH2+][C@H](CC(C)C)CN1Cc1cnn(C)c1 ZINC000071350479 176134280 /nfs/dbraw/zinc/13/42/80/176134280.db2.gz ZGYZMKCHCWJRQY-CVEARBPZSA-N 1 0 278.444 2.409 10 0 CEAERO CC(C)C[C@@H]1CN(Cc2cnn(C)c2)[C@H](C2CC2)C[NH2+]1 ZINC000071351244 176134520 /nfs/dbraw/zinc/13/45/20/176134520.db2.gz VQEVJFFREQOEIA-CVEARBPZSA-N 1 0 276.428 2.019 10 0 CEAERO CC[C@]1(C)C[NH2+][C@@H](CC(C)C)CN1CCn1cccn1 ZINC000071351761 176134799 /nfs/dbraw/zinc/13/47/99/176134799.db2.gz JEEDUURZJLANQQ-JKSUJKDBSA-N 1 0 278.444 2.372 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](Cc2ccccc2)CN1C[C@@H]1CCCO1 ZINC000071352748 176135866 /nfs/dbraw/zinc/13/58/66/176135866.db2.gz KSCHALJMRBODPV-KURKYZTESA-N 1 0 288.435 2.461 10 0 CEAERO CC[C@@H](C)[C@@H]1CN[C@@](C)(CC)C[N@@H+]1CCn1cccn1 ZINC000071357096 176136920 /nfs/dbraw/zinc/13/69/20/176136920.db2.gz YAINVJPIFFXVLB-PMPSAXMXSA-N 1 0 278.444 2.372 10 0 CEAERO CC[C@H](C)[C@H]1CNC2(CCCC2)C[N@@H+]1CCOCCOC ZINC000071358615 176137363 /nfs/dbraw/zinc/13/73/63/176137363.db2.gz MOPGMOMUDGUQHO-JKSUJKDBSA-N 1 0 298.471 2.282 10 0 CEAERO Cc1nccn1CCN1CC2(CCCCC2)[NH2+]C[C@@H]1C ZINC000071359295 176137422 /nfs/dbraw/zinc/13/74/22/176137422.db2.gz XLVKYVDPCDCWMQ-AWEZNQCLSA-N 1 0 276.428 2.188 10 0 CEAERO CCOCCN1CC2(CCCCC2)[NH2+]C[C@@H]1CC ZINC000071359369 176137525 /nfs/dbraw/zinc/13/75/25/176137525.db2.gz MTLMMWPFANPQJZ-AWEZNQCLSA-N 1 0 254.418 2.410 10 0 CEAERO C[C@H]1CNC2(CCCCC2)C[N@@H+]1CC1CCOCC1 ZINC000071359343 176137532 /nfs/dbraw/zinc/13/75/32/176137532.db2.gz ZHIBZVBQRPTWII-AWEZNQCLSA-N 1 0 266.429 2.410 10 0 CEAERO CCC[C@H]1C[NH2+]C2(CCCC2)CN1Cc1cnn(C)c1 ZINC000071358461 176137612 /nfs/dbraw/zinc/13/76/12/176137612.db2.gz BTGFLKRZWWPLFF-HNNXBMFYSA-N 1 0 276.428 2.307 10 0 CEAERO CC[C@H](C)[C@H]1C[NH2+][C@@](C)(CC)CN1CCOCCOC ZINC000071357147 176137665 /nfs/dbraw/zinc/13/76/65/176137665.db2.gz UAQRCKWRMYIQEL-XHSDSOJGSA-N 1 0 286.460 2.138 10 0 CEAERO CC[C@@H]1C[NH2+]C2(CCCC2)CN1Cc1cnn(CC)c1 ZINC000071358338 176137850 /nfs/dbraw/zinc/13/78/50/176137850.db2.gz AXSRQGXFRUUSNO-OAHLLOKOSA-N 1 0 276.428 2.400 10 0 CEAERO c1cn([C@H]2CCC[C@H]2[NH2+]Cc2cnn3ccccc23)cn1 ZINC000071373011 176138288 /nfs/dbraw/zinc/13/82/88/176138288.db2.gz AHFZLFMBWCIOSM-ZBFHGGJFSA-N 1 0 281.363 2.414 10 0 CEAERO CCC[C@H](C)NC(=O)[C@@H](C)NCC[N@H+](C)C1CCCC1 ZINC000071377367 176141793 /nfs/dbraw/zinc/14/17/93/176141793.db2.gz DJBWXXDZZQTXPM-UONOGXRCSA-N 1 0 283.460 2.144 10 0 CEAERO CN(CC[NH2+]CCOCC(F)(F)F)C1CCCC1 ZINC000071377210 176142263 /nfs/dbraw/zinc/14/22/63/176142263.db2.gz BHLFSUDSWCXHGR-UHFFFAOYSA-N 1 0 268.323 2.029 10 0 CEAERO C[N@H+](CCNC(=O)Nc1cccc(N)c1)C1CCCC1 ZINC000071379511 176143549 /nfs/dbraw/zinc/14/35/49/176143549.db2.gz BGZYXHNOOLYGJN-UHFFFAOYSA-N 1 0 276.384 2.265 10 0 CEAERO Cc1ccn(-c2nc3ccccc3cc2C(N)=[NH2+])n1 ZINC000071390288 176148436 /nfs/dbraw/zinc/14/84/36/176148436.db2.gz AGZGTWFPVPSFKA-UHFFFAOYSA-N 1 0 251.293 2.013 10 0 CEAERO COc1cccc(OC)c1-c1nc([C@H]2CCC[NH2+]2)no1 ZINC000071396505 176150110 /nfs/dbraw/zinc/15/01/10/176150110.db2.gz VWQMSSILVFYALK-SECBINFHSA-N 1 0 275.308 2.178 10 0 CEAERO CCOC(=O)COc1ccc(CC[NH3+])cc1C(F)(F)F ZINC000071399505 176152077 /nfs/dbraw/zinc/15/20/77/176152077.db2.gz QIOAPGBQADWTEV-UHFFFAOYSA-N 1 0 291.269 2.149 10 0 CEAERO CCC[NH2+]Cc1cc(C)ccc1OCC(=O)N(C)CC ZINC000071406346 176156013 /nfs/dbraw/zinc/15/60/13/176156013.db2.gz ICJNKUYHANYHNL-UHFFFAOYSA-N 1 0 278.396 2.352 10 0 CEAERO CCCCNC(=O)[C@@H](C)Oc1ccc(C)cc1CC[NH3+] ZINC000071411295 176157010 /nfs/dbraw/zinc/15/70/10/176157010.db2.gz XLCKSGIYAMWNMW-CYBMUJFWSA-N 1 0 278.396 2.180 10 0 CEAERO Cc1nnc(COc2ccc(C)cc2C[C@@H](C)[NH3+])o1 ZINC000071411659 176157081 /nfs/dbraw/zinc/15/70/81/176157081.db2.gz WAXFHONATROIQB-SNVBAGLBSA-N 1 0 261.325 2.155 10 0 CEAERO CC[C@H](C)NC(=O)[C@H](C)Oc1ccc(C)cc1CC[NH3+] ZINC000071411287 176157168 /nfs/dbraw/zinc/15/71/68/176157168.db2.gz WXZUWLMIIPUFSE-STQMWFEESA-N 1 0 278.396 2.178 10 0 CEAERO CC[NH2+][C@@H](C)C(=O)c1cc(OC)c(C)cc1OC ZINC000071573174 176199607 /nfs/dbraw/zinc/19/96/07/176199607.db2.gz SWLJDKLLOYERQI-JTQLQIEISA-N 1 0 251.326 2.193 10 0 CEAERO COc1ccc([C@@H](O)C[NH2+]C(C)C)c(OC)c1C ZINC000071574804 176201835 /nfs/dbraw/zinc/20/18/35/176201835.db2.gz TUYZWVLXXKFDHA-LBPRGKRZSA-N 1 0 253.342 2.044 10 0 CEAERO CCOc1ccc(-n2ncc(CC[NH3+])c2CC)cc1 ZINC000071585609 176211193 /nfs/dbraw/zinc/21/11/93/176211193.db2.gz QEPKWMSQFJSTGH-UHFFFAOYSA-N 1 0 259.353 2.335 10 0 CEAERO COc1cc([C@@H](O)[C@H](C)[NH2+]C(C)C)c(OC)cc1C ZINC000071599192 176223548 /nfs/dbraw/zinc/22/35/48/176223548.db2.gz LBPOHGQHJRELGZ-NHYWBVRUSA-N 1 0 267.369 2.432 10 0 CEAERO O[C@]1(Cc2ccc(Br)cc2)CCC[NH2+]C1 ZINC000071601342 176228365 /nfs/dbraw/zinc/22/83/65/176228365.db2.gz ROKLTWGJLNEPLW-LBPRGKRZSA-N 1 0 270.170 2.106 10 0 CEAERO CCOC(=O)CCN(CCCC[NH+]1CCCC1)C(=O)CC ZINC000071602628 176228798 /nfs/dbraw/zinc/22/87/98/176228798.db2.gz NOLIYNIIGMZCIX-UHFFFAOYSA-N 1 0 298.427 2.054 10 0 CEAERO [NH3+][C@H](CO)c1cc(Br)ccc1Cl ZINC000072199130 176339757 /nfs/dbraw/zinc/33/97/57/176339757.db2.gz UNPVIFJKIFEUKM-MRVPVSSYSA-N 1 0 250.523 2.095 10 0 CEAERO COc1ccc([C@@H]2Cc3n[nH]cc3[C@@H]([NH3+])C2)c(OC)c1 ZINC000072415370 176399708 /nfs/dbraw/zinc/39/97/08/176399708.db2.gz APDCQNAHPISFBL-ZANVPECISA-N 1 0 273.336 2.157 10 0 CEAERO Cc1cc(C)nc(N2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000656607687 415783556 /nfs/dbraw/zinc/78/35/56/415783556.db2.gz FESJVTWCKBHFFB-OAHLLOKOSA-N 1 0 274.412 2.309 10 0 CEAERO Fc1cccnc1N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656608925 415784507 /nfs/dbraw/zinc/78/45/07/415784507.db2.gz OTQGLUPVLNFXGH-CYBMUJFWSA-N 1 0 263.360 2.437 10 0 CEAERO Cc1cnc(N2CCC[C@@H](C3CC[NH2+]CC3)C2)nc1 ZINC000656609987 415785070 /nfs/dbraw/zinc/78/50/70/415785070.db2.gz YHOWVIWAHYTSSU-CQSZACIVSA-N 1 0 260.385 2.001 10 0 CEAERO CC(C)[N@H+](C)C[C@@H](O)CN1CCCC[C@@H]1c1nccs1 ZINC000656700390 415821927 /nfs/dbraw/zinc/82/19/27/415821927.db2.gz IKNNVLCNKBRKLL-ZIAGYGMSSA-N 1 0 297.468 2.371 10 0 CEAERO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCC[C@H](CCF)C2)C1 ZINC000662690128 415930336 /nfs/dbraw/zinc/93/03/36/415930336.db2.gz YMOPJQAGVMBWGS-FRRDWIJNSA-N 1 0 256.365 2.102 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCC[C@@H](C2CCC2)C1 ZINC000662716169 415942236 /nfs/dbraw/zinc/94/22/36/415942236.db2.gz RHTROYGHBOKXMP-NWANDNLSSA-N 1 0 264.413 2.413 10 0 CEAERO CC(C)[C@H]([NH3+])CCNC(=O)[C@@H](C)OCc1ccccc1 ZINC000662727073 415946084 /nfs/dbraw/zinc/94/60/84/415946084.db2.gz OXKFPRJPCFKURF-UKRRQHHQSA-N 1 0 278.396 2.081 10 0 CEAERO CO[C@H](CNC(=O)CC[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000662733513 415947296 /nfs/dbraw/zinc/94/72/96/415947296.db2.gz KVLULNDTMWPDTG-HUUCEWRRSA-N 1 0 282.428 2.230 10 0 CEAERO COc1ccccc1NC(=O)CC[n+]1ccc(C)cc1 ZINC000075305569 176685885 /nfs/dbraw/zinc/68/58/85/176685885.db2.gz RPVDLIOWIKVTIP-UHFFFAOYSA-O 1 0 271.340 2.320 10 0 CEAERO CCCS(=O)(=O)[C@@H](C)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000075418290 176698693 /nfs/dbraw/zinc/69/86/93/176698693.db2.gz WTYHYVMRQAMZMU-WCQYABFASA-N 1 0 255.383 2.208 10 0 CEAERO CN(CC[NH3+])CCOc1cccc(Cl)c1Cl ZINC000076358505 177000551 /nfs/dbraw/zinc/00/05/51/177000551.db2.gz UKVMLTPTRDSZPK-UHFFFAOYSA-N 1 0 263.168 2.263 10 0 CEAERO CCOc1ccc(N2C[C@@H](CC[NH2+]C)OC2=O)cc1 ZINC000076367596 177005157 /nfs/dbraw/zinc/00/51/57/177005157.db2.gz JXXXMZOXCRMGPO-CYBMUJFWSA-N 1 0 264.325 2.020 10 0 CEAERO C[NH2+]CCC(=O)N[C@@H](C)c1cc(C)cc(C)c1OC ZINC000076369153 177006409 /nfs/dbraw/zinc/00/64/09/177006409.db2.gz BGQWHCLIQSDWGU-LBPRGKRZSA-N 1 0 264.369 2.099 10 0 CEAERO CC(C)CNC(=O)C[C@@H](C[NH3+])c1cccc(F)c1 ZINC000076656633 177045920 /nfs/dbraw/zinc/04/59/20/177045920.db2.gz PMLLGBOPHNVPIQ-LBPRGKRZSA-N 1 0 252.333 2.030 10 0 CEAERO CC(C)NC(=O)[C@H](CCC[NH3+])c1cccc(F)c1 ZINC000076656684 177046080 /nfs/dbraw/zinc/04/60/80/177046080.db2.gz WVSNBYOZZYPYPA-CYBMUJFWSA-N 1 0 252.333 2.173 10 0 CEAERO CC(C)(C)NC(=O)[C@H](CCC[NH3+])c1cccs1 ZINC000076658569 177047620 /nfs/dbraw/zinc/04/76/20/177047620.db2.gz WWBVPZXPKABQML-SNVBAGLBSA-N 1 0 254.399 2.485 10 0 CEAERO CC(=O)c1cccc(N(CCC(C)C)C(=O)C[NH3+])c1 ZINC000076675033 177055708 /nfs/dbraw/zinc/05/57/08/177055708.db2.gz CZFGLMIAFCPXRI-UHFFFAOYSA-N 1 0 262.353 2.227 10 0 CEAERO O=[S@@]1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000076699062 177061587 /nfs/dbraw/zinc/06/15/87/177061587.db2.gz TWMOXQSXWSBZQN-QAPCUYQASA-N 1 0 263.406 2.421 10 0 CEAERO C[C@H](CC[NH3+])C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000076721070 177069806 /nfs/dbraw/zinc/06/98/06/177069806.db2.gz GKBUYRAVEGPQAQ-CQSZACIVSA-N 1 0 274.408 2.453 10 0 CEAERO C[C@@H]1COC[C@@H](C)[NH+]1CCC(=O)Nc1cccc(F)c1 ZINC000077367838 177258613 /nfs/dbraw/zinc/25/86/13/177258613.db2.gz HXHJEQJTZXXNJI-VXGBXAGGSA-N 1 0 280.343 2.264 10 0 CEAERO COc1ccc(C)cc1N(C)C(=O)CCCC[NH3+] ZINC000077431984 177267748 /nfs/dbraw/zinc/26/77/48/177267748.db2.gz XCEQKBQCNLLXSW-UHFFFAOYSA-N 1 0 250.342 2.095 10 0 CEAERO O[C@@H]1C[NH2+]CC[C@H]1Nc1ccc2cc(Cl)ccc2n1 ZINC000077469757 177271869 /nfs/dbraw/zinc/27/18/69/177271869.db2.gz GOHWJAKRCKVMJN-CHWSQXEVSA-N 1 0 277.755 2.023 10 0 CEAERO CC[NH+]1CCN(Cc2ccc3ccccc3n2)CC1 ZINC000078501758 177347682 /nfs/dbraw/zinc/34/76/82/177347682.db2.gz VFWUSRTWILAOTJ-UHFFFAOYSA-N 1 0 255.365 2.372 10 0 CEAERO Cc1cc2ncc(C[NH2+]C[C@]3(O)CCC[C@@H](C)C3)cn2n1 ZINC000078638671 177363724 /nfs/dbraw/zinc/36/37/24/177363724.db2.gz MASPACIYOBFFNA-WBMJQRKESA-N 1 0 288.395 2.069 10 0 CEAERO OC1(C[NH2+]CCc2ccc3c(c2)CCO3)CCCCC1 ZINC000078748971 177381758 /nfs/dbraw/zinc/38/17/58/177381758.db2.gz UHHNFRUEYVNCGC-UHFFFAOYSA-N 1 0 275.392 2.449 10 0 CEAERO COc1ccc(NC(=O)CC[C@@H](C)CC[NH3+])c(OC)c1 ZINC000079077905 177429312 /nfs/dbraw/zinc/42/93/12/177429312.db2.gz SSJBLAKRONMGST-LLVKDONJSA-N 1 0 280.368 2.407 10 0 CEAERO C[C@H](CC[NH3+])CCC(=O)NCc1ccccc1F ZINC000079078758 177429345 /nfs/dbraw/zinc/42/93/45/177429345.db2.gz METIWLIAPCUMDN-NSHDSACASA-N 1 0 252.333 2.207 10 0 CEAERO CCC[C@@H](CC[NH3+])CCC(=O)N1CCOC[C@@H]1CC ZINC000079237057 177453189 /nfs/dbraw/zinc/45/31/89/177453189.db2.gz HSGDDTQYGQQCEY-KGLIPLIRSA-N 1 0 270.417 2.169 10 0 CEAERO CC(C)[C@H](CC[NH3+])CCC(=O)N1C[C@H](C)OC[C@@H]1C ZINC000079255228 177459222 /nfs/dbraw/zinc/45/92/22/177459222.db2.gz YDDYIAWWRMLFIT-IHRRRGAJSA-N 1 0 270.417 2.023 10 0 CEAERO CC(C)[C@@H](CC[NH3+])CCC(=O)Nc1ccccc1C(N)=O ZINC000079254523 177459448 /nfs/dbraw/zinc/45/94/48/177459448.db2.gz SXZXONXLSWMWEF-GFCCVEGCSA-N 1 0 291.395 2.125 10 0 CEAERO CC(C)[C@@H](CC[NH3+])CCC(=O)NCCc1cscn1 ZINC000079278969 177462337 /nfs/dbraw/zinc/46/23/37/177462337.db2.gz IAVZWIURRNMLKG-GFCCVEGCSA-N 1 0 283.441 2.203 10 0 CEAERO Cc1nnc2c(N[C@@H](C)c3ccc(C[NH3+])cc3)nccn12 ZINC000079455016 177493433 /nfs/dbraw/zinc/49/34/33/177493433.db2.gz HCWZYHUGYKIHIC-JTQLQIEISA-N 1 0 282.351 2.065 10 0 CEAERO COCCn1c2ccccc2nc1[C@]1(C)CCC[NH2+]1 ZINC000079481373 177499851 /nfs/dbraw/zinc/49/98/51/177499851.db2.gz XGDCZPUJZLKOAE-HNNXBMFYSA-N 1 0 259.353 2.281 10 0 CEAERO CCC[C@@H](COC)[NH2+][C@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000079738886 177547734 /nfs/dbraw/zinc/54/77/34/177547734.db2.gz GIRIVUIQFOZATO-YPMHNXCESA-N 1 0 292.379 2.483 10 0 CEAERO CCC[C@H](COC)[NH2+]CC(=O)Nc1ccccc1C ZINC000079743578 177548821 /nfs/dbraw/zinc/54/88/21/177548821.db2.gz IYCOOTSOKFFMQX-CYBMUJFWSA-N 1 0 264.369 2.338 10 0 CEAERO CCCCCCOC[C@@H](O)C[NH2+][C@H](CCC)COC ZINC000079743698 177549273 /nfs/dbraw/zinc/54/92/73/177549273.db2.gz ZJSONTAPCWAQEW-CABCVRRESA-N 1 0 275.433 2.349 10 0 CEAERO Cc1nn(Cc2cnn(C)c2)c(C)c1CC[NH2+]C(C)(C)C ZINC000080064784 177604059 /nfs/dbraw/zinc/60/40/59/177604059.db2.gz CCRQLSOIPHWDPR-UHFFFAOYSA-N 1 0 289.427 2.212 10 0 CEAERO CCCCOCCn1nccc1C[NH2+]CC(C)C ZINC000080093410 177606139 /nfs/dbraw/zinc/60/61/39/177606139.db2.gz WCGRQUHHLNSHCK-UHFFFAOYSA-N 1 0 253.390 2.445 10 0 CEAERO CN(CCC[NH3+])c1ccnc2cc(Br)cnc21 ZINC000135514720 419441435 /nfs/dbraw/zinc/44/14/35/419441435.db2.gz DEDSAVNGCWTOQP-UHFFFAOYSA-N 1 0 295.184 2.177 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)Cc1cccc(F)c1 ZINC000136307357 419443771 /nfs/dbraw/zinc/44/37/71/419443771.db2.gz DJQGCAROZOVNBN-ZDUSSCGKSA-N 1 0 252.333 2.158 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1cc2c(cc1F)CCC(=O)N2 ZINC000136350571 419444302 /nfs/dbraw/zinc/44/43/02/419444302.db2.gz RXZMPWROWSSKKY-NSHDSACASA-N 1 0 293.342 2.022 10 0 CEAERO COc1ccc(NC(=O)C[C@@H]([NH3+])C(C)C)cc1OC ZINC000136296776 419444771 /nfs/dbraw/zinc/44/47/71/419444771.db2.gz LWSRGNJNGNCNIQ-LLVKDONJSA-N 1 0 266.341 2.016 10 0 CEAERO CCc1ccc(O)c(NC(=O)C[C@@H]([NH3+])C(C)C)c1 ZINC000136488801 419447817 /nfs/dbraw/zinc/44/78/17/419447817.db2.gz XIZPATHNYHAKNU-LLVKDONJSA-N 1 0 250.342 2.267 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1cnc2c(cnn2C(C)C)c1 ZINC000136431989 419448379 /nfs/dbraw/zinc/44/83/79/419448379.db2.gz CLNQWRGUZYYERU-ZDUSSCGKSA-N 1 0 289.383 2.324 10 0 CEAERO C[C@H]([NH2+]CC(=O)N(C)C)C12CC3CC(CC(C3)C1)C2 ZINC000020039553 262226716 /nfs/dbraw/zinc/22/67/16/262226716.db2.gz LCRQTVJAHXGFNR-IKMFHRHGSA-N 1 0 264.413 2.269 10 0 CEAERO Cc1n[nH]cc1C[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C ZINC000222079821 262313557 /nfs/dbraw/zinc/31/35/57/262313557.db2.gz VIEMWYIQARPJHN-SNVBAGLBSA-N 1 0 282.388 2.111 10 0 CEAERO C[C@H](CC[NH2+][C@H](C)[C@@H]1CCCO1)NC(=O)OC(C)(C)C ZINC000390809267 262348258 /nfs/dbraw/zinc/34/82/58/262348258.db2.gz QDEHVSNKFYEAJH-UPJWGTAASA-N 1 0 286.416 2.447 10 0 CEAERO CCC[C@@H](C)[NH+]1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000187683287 270255597 /nfs/dbraw/zinc/25/55/97/270255597.db2.gz ZHDSKSXGXXNTEJ-CYBMUJFWSA-N 1 0 278.444 2.343 10 0 CEAERO CCO[C@H]1C[C@H]([NH2+]Cc2nccs2)C12CCOCC2 ZINC000186263077 270249022 /nfs/dbraw/zinc/24/90/22/270249022.db2.gz ZRIBAPRPYLIAOR-RYUDHWBXSA-N 1 0 282.409 2.207 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000194310814 270295938 /nfs/dbraw/zinc/29/59/38/270295938.db2.gz FNYRKSALSWHLPD-LBPRGKRZSA-N 1 0 291.351 2.021 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)CCCOc2ccccc2)C1 ZINC000194628978 270302203 /nfs/dbraw/zinc/30/22/03/270302203.db2.gz DBOJCSVVILECMD-HNNXBMFYSA-N 1 0 290.407 2.446 10 0 CEAERO Cc1ccc(CN2CCCNC(=O)[C@H]2C)cc1Cl ZINC000194848695 270304313 /nfs/dbraw/zinc/30/43/13/270304313.db2.gz NPGNYXIXWKPBHF-LLVKDONJSA-N 1 0 266.772 2.359 10 0 CEAERO CC(C)(C)OC(=O)NCC(C)(C)[NH2+]C[C@@H]1CCCOC1 ZINC000225040385 270309042 /nfs/dbraw/zinc/30/90/42/270309042.db2.gz MNONKVSZJYYIBY-LBPRGKRZSA-N 1 0 286.416 2.306 10 0 CEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000392938663 270341657 /nfs/dbraw/zinc/34/16/57/270341657.db2.gz NWLUPWVDJMBHLN-HCWYAHQGSA-N 1 0 262.397 2.068 10 0 CEAERO Cc1ncc(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)s1 ZINC000398715855 270361395 /nfs/dbraw/zinc/36/13/95/270361395.db2.gz QIRWNWYDCBCVKK-SRVKXCTJSA-N 1 0 252.383 2.044 10 0 CEAERO C[C@@H]([NH3+])CC(=O)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000261859678 274235070 /nfs/dbraw/zinc/23/50/70/274235070.db2.gz OLNJJJLFPTXWLS-SKDRFNHKSA-N 1 0 282.771 2.407 10 0 CEAERO C[C@@]([NH3+])(C(=O)N1Cc2ccccc2C1)c1ccccc1 ZINC000052883144 274447908 /nfs/dbraw/zinc/44/79/08/274447908.db2.gz ZREWZRIIHWDVPW-KRWDZBQOSA-N 1 0 266.344 2.403 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cc2ccccc2o1 ZINC000189306509 274632140 /nfs/dbraw/zinc/63/21/40/274632140.db2.gz HVQCWJZNKGQGOV-ZYHUDNBSSA-N 1 0 258.321 2.303 10 0 CEAERO Cc1cc(Br)cnc1N1CCC[C@H]([NH3+])C1 ZINC000086708406 274676307 /nfs/dbraw/zinc/67/63/07/274676307.db2.gz FRSHJBOVOCFFRL-JTQLQIEISA-N 1 0 270.174 2.080 10 0 CEAERO Cc1ccc(NC(=O)[C@H](C)C2C[NH2+]C2)c2cccnc12 ZINC000164083317 274752918 /nfs/dbraw/zinc/75/29/18/274752918.db2.gz PIBBUVWUPKDXDH-LLVKDONJSA-N 1 0 269.348 2.337 10 0 CEAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1(C(N)=O)CCOCC1 ZINC000153235629 275680471 /nfs/dbraw/zinc/68/04/71/275680471.db2.gz OBBYYUCKALJZLK-QLFBSQMISA-N 1 0 296.455 2.319 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(C)cc1O ZINC000092632803 276181464 /nfs/dbraw/zinc/18/14/64/276181464.db2.gz HYEXTRIKVDFQBX-ZDUSSCGKSA-N 1 0 276.380 2.257 10 0 CEAERO CCCCCC[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000177279688 276226811 /nfs/dbraw/zinc/22/68/11/276226811.db2.gz PUKSWBFTTUOUAF-HUUCEWRRSA-N 1 0 254.418 2.219 10 0 CEAERO CCC[C@@H](C(=O)NC[C@@H]1CCOc2ccccc21)[NH+](C)C ZINC000154171973 276268920 /nfs/dbraw/zinc/26/89/20/276268920.db2.gz BSRSZEUEENFBBO-ZFWWWQNUSA-N 1 0 290.407 2.399 10 0 CEAERO CCC[C@H]([NH2+]C[C@H]1CN(C)CCO1)C1CCCC1 ZINC000313467922 276287138 /nfs/dbraw/zinc/28/71/38/276287138.db2.gz LXWKEIIIZFVHSW-GJZGRUSLSA-N 1 0 254.418 2.266 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN2CC)C12CCOCC2 ZINC000248991318 276345263 /nfs/dbraw/zinc/34/52/63/276345263.db2.gz LDMACCLWVDYODW-ARFHVFGLSA-N 1 0 296.455 2.035 10 0 CEAERO CN1CCO[C@@H](C[NH2+][C@@H]2CCCC23CCCCC3)C1 ZINC000313001109 277119650 /nfs/dbraw/zinc/11/96/50/277119650.db2.gz IHYMOWNNKCGXKR-LSDHHAIUSA-N 1 0 266.429 2.410 10 0 CEAERO CC(C)(C)OC(=O)[C@H]1CCN(Cc2ccccc2)[C@H]1C[NH3+] ZINC000255003992 277207830 /nfs/dbraw/zinc/20/78/30/277207830.db2.gz IOAGBFOCXFRONA-GJZGRUSLSA-N 1 0 290.407 2.178 10 0 CEAERO CN1c2ccccc2[C@@H]([NH2+]CCc2ccncc2)CC1=O ZINC000048262196 277218154 /nfs/dbraw/zinc/21/81/54/277218154.db2.gz NGNPXHBCXRGYKN-HNNXBMFYSA-N 1 0 281.359 2.322 10 0 CEAERO COC[C@@H](C)C(=O)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000103382239 277243905 /nfs/dbraw/zinc/24/39/05/277243905.db2.gz KOSZGFKORDPPAM-UKRRQHHQSA-N 1 0 288.391 2.280 10 0 CEAERO C[C@@H]1CCCN(c2nc3ccccc3n2C)[C@@H]1C[NH3+] ZINC000079048722 277698959 /nfs/dbraw/zinc/69/89/59/277698959.db2.gz FDGHPOQDFCJHHJ-BXUZGUMPSA-N 1 0 258.369 2.137 10 0 CEAERO C[C@H](C[NH3+])C(=O)NC[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000262447561 278180341 /nfs/dbraw/zinc/18/03/41/278180341.db2.gz VNHKOQSKKDSJMK-KXUCPTDWSA-N 1 0 266.307 2.066 10 0 CEAERO C[C@@H]1CN(C(=O)c2cc3c(s2)CCCCC3)C[C@H]1[NH3+] ZINC000235372911 288022913 /nfs/dbraw/zinc/02/29/13/288022913.db2.gz PKHSEWZPRIJCQD-ZYHUDNBSSA-N 1 0 278.421 2.436 10 0 CEAERO CC1(C)CN(C(=O)[C@H]2CCC[NH2+]2)Cc2ccccc21 ZINC000262530337 278316657 /nfs/dbraw/zinc/31/66/57/278316657.db2.gz HYONJMIBPFOEDZ-CQSZACIVSA-N 1 0 258.365 2.058 10 0 CEAERO CC(C)(C)[C@@H](NC(=O)C1C[NH2+]C1)c1ccc(F)cc1 ZINC000091409252 278487080 /nfs/dbraw/zinc/48/70/80/278487080.db2.gz NRQVNGZAQKDPIC-ZDUSSCGKSA-N 1 0 264.344 2.249 10 0 CEAERO C[C@@H]1CCN(c2ccc3c(n2)CCCC3=O)[C@H](C[NH3+])C1 ZINC000333922641 278557964 /nfs/dbraw/zinc/55/79/64/278557964.db2.gz RPCRZQVTPKYMCW-NEPJUHHUSA-N 1 0 273.380 2.164 10 0 CEAERO C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@H]1CCc2ncnn2C1 ZINC000246392481 279023817 /nfs/dbraw/zinc/02/38/17/279023817.db2.gz KXWDDKDAFSUBJO-FFSVYQOJSA-N 1 0 268.364 2.116 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCCc2cc(F)ccc21 ZINC000335061505 279033883 /nfs/dbraw/zinc/03/38/83/279033883.db2.gz XBBFVOUKJIVBBV-SMDDNHRTSA-N 1 0 276.355 2.493 10 0 CEAERO CC(C)C[C@H](C)NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000133673145 279108623 /nfs/dbraw/zinc/10/86/23/279108623.db2.gz CIVFNLRCAMFCHV-MELADBBJSA-N 1 0 267.417 2.299 10 0 CEAERO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccccc1N(C)C)CC2 ZINC000093944302 279144000 /nfs/dbraw/zinc/14/40/00/279144000.db2.gz JIWIPYBTWQMCHM-GXTWGEPZSA-N 1 0 299.422 2.318 10 0 CEAERO CC(C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000119207347 279209641 /nfs/dbraw/zinc/20/96/41/279209641.db2.gz PWEDLTANQZGWLC-KGLIPLIRSA-N 1 0 252.402 2.271 10 0 CEAERO C[C@H](C(=O)Nc1nc2c(s1)C[C@H](C)CC2)C1C[NH2+]C1 ZINC000262282564 279237460 /nfs/dbraw/zinc/23/74/60/279237460.db2.gz XJMWERCZHJISRC-BDAKNGLRSA-N 1 0 279.409 2.062 10 0 CEAERO CC(C)Cc1ncc(CN2CCO[C@@H](C[NH+](C)C)C2)s1 ZINC000156651013 279246606 /nfs/dbraw/zinc/24/66/06/279246606.db2.gz QWAOCPZHUOBTBO-ZDUSSCGKSA-N 1 0 297.468 2.104 10 0 CEAERO CCC[C@H](C(=O)NCC[C@H](OCC)C(C)C)[NH+](C)C ZINC000126712557 279840575 /nfs/dbraw/zinc/84/05/75/279840575.db2.gz GQVIRTORANHAOP-KGLIPLIRSA-N 1 0 272.433 2.284 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+]C2CCCC2)C12CCOCC2 ZINC000186198345 279918714 /nfs/dbraw/zinc/91/87/14/279918714.db2.gz JMIBFNSRHRTXCT-KGLIPLIRSA-N 1 0 253.386 2.493 10 0 CEAERO CC(C)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000232693771 279952934 /nfs/dbraw/zinc/95/29/34/279952934.db2.gz BDINSAZQUANWHN-RQJABVFESA-N 1 0 252.402 2.173 10 0 CEAERO CCS(=O)(=O)c1ccccc1N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000250248752 280034319 /nfs/dbraw/zinc/03/43/19/280034319.db2.gz QOEBXVNJYWBGKL-QWHCGFSZSA-N 1 0 296.436 2.044 10 0 CEAERO COC[C@@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000187390606 280133669 /nfs/dbraw/zinc/13/36/69/280133669.db2.gz GBWDECYQWMKVFV-QWHCGFSZSA-N 1 0 286.416 2.258 10 0 CEAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CC[C@@H]3CCCO3)C2)n1 ZINC000189204886 280145803 /nfs/dbraw/zinc/14/58/03/280145803.db2.gz SQWKSMFUYBGUAC-CVEARBPZSA-N 1 0 292.427 2.176 10 0 CEAERO CC(C)[C@H](C)NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000115782839 280217586 /nfs/dbraw/zinc/21/75/86/280217586.db2.gz GKYDGMZYBWXRAU-QWHCGFSZSA-N 1 0 255.406 2.014 10 0 CEAERO CCC[C@H](C(=O)NCCO[C@H]1CCCC[C@H]1C)[NH+](C)C ZINC000245643146 280254910 /nfs/dbraw/zinc/25/49/10/280254910.db2.gz BOLUEAIXIUJQCW-KFWWJZLASA-N 1 0 284.444 2.428 10 0 CEAERO CCn1nccc1C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000245768219 280260208 /nfs/dbraw/zinc/26/02/08/280260208.db2.gz REDKWUMSQXWCCY-DZGCQCFKSA-N 1 0 263.385 2.030 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC1CCC1 ZINC000246557211 280300792 /nfs/dbraw/zinc/30/07/92/280300792.db2.gz YVZZIBAEHGAPQE-KGLIPLIRSA-N 1 0 265.401 2.055 10 0 CEAERO CCN1CCC[C@@H]([NH2+][C@H](C)c2cncc(F)c2)C1 ZINC000246927410 280314479 /nfs/dbraw/zinc/31/44/79/280314479.db2.gz GXKYUUFHONGVJS-BXUZGUMPSA-N 1 0 251.349 2.356 10 0 CEAERO Cc1ccccc1CCC[N@H+]1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000246960313 280315981 /nfs/dbraw/zinc/31/59/81/280315981.db2.gz OJOLZRJFYRAMSR-DLBZAZTESA-N 1 0 290.451 2.315 10 0 CEAERO CC(C)[C@H](C)CNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247478808 280330904 /nfs/dbraw/zinc/33/09/04/280330904.db2.gz VXOFGLWNTGRBEA-MGPQQGTHSA-N 1 0 269.433 2.306 10 0 CEAERO Cc1cc(C(=O)N2CC[C@H]([NH3+])[C@H]2C)c2ccccc2n1 ZINC000261839068 280336583 /nfs/dbraw/zinc/33/65/83/280336583.db2.gz VNUUHWCTOCAPPO-RISCZKNCSA-N 1 0 269.348 2.105 10 0 CEAERO CC1(C)CN(C(=O)C(C2CC2)C2CC2)CC[C@@H]1[NH3+] ZINC000261555354 281151598 /nfs/dbraw/zinc/15/15/98/281151598.db2.gz BJVWSTANCBTMNO-LBPRGKRZSA-N 1 0 250.386 2.008 10 0 CEAERO Cc1cccc(NC(=O)N2CC[C@H]([NH+](C)C)C2)c1F ZINC000179999832 281238297 /nfs/dbraw/zinc/23/82/97/281238297.db2.gz HNPUHSMDNVTSNA-NSHDSACASA-N 1 0 265.332 2.302 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CCNC(=O)OC(C)(C)C ZINC000246003868 288317269 /nfs/dbraw/zinc/31/72/69/288317269.db2.gz JNXVTEYIBMDSAY-KBPBESRZSA-N 1 0 297.443 2.070 10 0 CEAERO Cc1csc2c1ncnc2N1CCCC[C@H]1C[NH3+] ZINC000222331583 281744353 /nfs/dbraw/zinc/74/43/53/281744353.db2.gz CRMLXZSFLFWMJJ-JTQLQIEISA-N 1 0 262.382 2.317 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccccc1N(C)C ZINC000235306815 288854511 /nfs/dbraw/zinc/85/45/11/288854511.db2.gz HQUISDHHWWXHGU-NWDGAFQWSA-N 1 0 261.369 2.079 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)C(C)C ZINC000152393431 289087571 /nfs/dbraw/zinc/08/75/71/289087571.db2.gz RHOZELFXNGYKCQ-CYBMUJFWSA-N 1 0 255.406 2.157 10 0 CEAERO CC(=O)[C@@H]1C[C@H](C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)C1(C)C ZINC000155948767 289186278 /nfs/dbraw/zinc/18/62/78/289186278.db2.gz ODCUTIBLPWJMLQ-BEAPCOKYSA-N 1 0 294.439 2.083 10 0 CEAERO CCC[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccccn1 ZINC000158557722 289236143 /nfs/dbraw/zinc/23/61/43/289236143.db2.gz GYDDRFSCYJGEHL-LSDHHAIUSA-N 1 0 277.412 2.233 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@H]1SCC ZINC000262442426 289259717 /nfs/dbraw/zinc/25/97/17/289259717.db2.gz BJXQUTLBQDTAAM-SDDRHHMPSA-N 1 0 258.431 2.294 10 0 CEAERO CC(C)c1nccnc1NCC[NH+]1CCC(C)CC1 ZINC000472344004 290295139 /nfs/dbraw/zinc/29/51/39/290295139.db2.gz FODVERVPCVKFKB-UHFFFAOYSA-N 1 0 262.401 2.166 10 0 CEAERO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000070575629 295310326 /nfs/dbraw/zinc/31/03/26/295310326.db2.gz PUTBJTCBVQUENW-GARJFASQSA-N 1 0 278.318 2.305 10 0 CEAERO C[C@H]([NH2+]CC1CC(O)C1)c1ccc(Br)cn1 ZINC000528018607 297778444 /nfs/dbraw/zinc/77/84/44/297778444.db2.gz NBYNWRORMLRQRW-SILCLGDVSA-N 1 0 285.185 2.266 10 0 CEAERO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261745230 298186799 /nfs/dbraw/zinc/18/67/99/298186799.db2.gz PPVGIERCSXJNKQ-KBXIAJHMSA-N 1 0 295.471 2.129 10 0 CEAERO 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275.396 2.348 10 0 CEAERO [NH3+]C[C@@H]1CC[C@H](Nc2ccc(OC(F)F)cn2)C1 ZINC000382446798 321840013 /nfs/dbraw/zinc/84/00/13/321840013.db2.gz BFZUXHSPZHXMMO-BDAKNGLRSA-N 1 0 257.284 2.222 10 0 CEAERO C[C@]1(C(=O)Nc2ccc3c(c2)CCCO3)CCC[NH2+]1 ZINC000383576703 321849163 /nfs/dbraw/zinc/84/91/63/321849163.db2.gz AORVFIAOTZUVRR-OAHLLOKOSA-N 1 0 260.337 2.092 10 0 CEAERO OCC[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)C1CCCCC1 ZINC000581022923 322363645 /nfs/dbraw/zinc/36/36/45/322363645.db2.gz OZRPJUCLAPVHAI-RBSFLKMASA-N 1 0 255.402 2.211 10 0 CEAERO COC[C@](C)(O)C[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000394586617 329127665 /nfs/dbraw/zinc/12/76/65/329127665.db2.gz JZAXRMIOFXSNKJ-NOZJJQNGSA-N 1 0 259.296 2.013 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](c2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000021506337 329478965 /nfs/dbraw/zinc/47/89/65/329478965.db2.gz ZCNAVQHZXVZZDO-ZYHUDNBSSA-N 1 0 277.299 2.234 10 0 CEAERO CC(C)N(CC(F)(F)F)C(=O)[C@@H]1[NH2+]CCC[C@@H]1C ZINC000051794574 519638459 /nfs/dbraw/zinc/63/84/59/519638459.db2.gz 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GAGKMGJSRUAAAP-SECBINFHSA-N 1 0 284.381 2.109 10 0 CEAERO CC[NH2+]C[C@@H](C)c1nc(-c2ccccc2OC)no1 ZINC000061220291 519944446 /nfs/dbraw/zinc/94/44/46/519944446.db2.gz TUOBGHILGFBNQR-SNVBAGLBSA-N 1 0 261.325 2.458 10 0 CEAERO CCC[NH2+]Cc1ccccc1OCCC(=O)OC ZINC000069316887 519956922 /nfs/dbraw/zinc/95/69/22/519956922.db2.gz UOVVUYWVYUGKIM-UHFFFAOYSA-N 1 0 251.326 2.128 10 0 CEAERO CCC[NH2+]Cc1ccoc1CN1C[C@H](C)O[C@@H](C)C1 ZINC000052380292 519959023 /nfs/dbraw/zinc/95/90/23/519959023.db2.gz OFSFYJHELDVIDD-STQMWFEESA-N 1 0 266.385 2.388 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N(Cc1cccnc1)C(C)C ZINC000061265830 519959944 /nfs/dbraw/zinc/95/99/44/519959944.db2.gz OVANCXDADPSJLU-ZDUSSCGKSA-N 1 0 263.385 2.064 10 0 CEAERO CCC[NH2+]Cc1sc(N2CCO[C@@H](C)C2)nc1CC ZINC000054995745 519975595 /nfs/dbraw/zinc/97/55/95/519975595.db2.gz AMQQTSSTJQCGPC-NSHDSACASA-N 1 0 283.441 2.430 10 0 CEAERO CC[NH2+]C[C@H]1CC[C@H](COc2cccc(F)c2)O1 ZINC000052675831 519982061 /nfs/dbraw/zinc/98/20/61/519982061.db2.gz 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/nfs/dbraw/zinc/06/34/36/520063436.db2.gz CNLSIOSXZJIJOO-SNVBAGLBSA-N 1 0 268.332 2.011 10 0 CEAERO CCCN[C@H](CC[N@H+](C)C(CC)CC)C(=O)OC ZINC000062448970 520068516 /nfs/dbraw/zinc/06/85/16/520068516.db2.gz BYWMHLVKAGBBCX-CYBMUJFWSA-N 1 0 258.406 2.038 10 0 CEAERO CCCN[C@H](CC[N@H+](C)CC(C)(C)C)C(=O)OCC ZINC000062523048 520068599 /nfs/dbraw/zinc/06/85/99/520068599.db2.gz MUQDYHVRJIYQPJ-CYBMUJFWSA-N 1 0 272.433 2.286 10 0 CEAERO CCCN[C@H](CC[NH+]1CCC(CC)CC1)C(=O)OCC ZINC000062526325 520073978 /nfs/dbraw/zinc/07/39/78/520073978.db2.gz XTMOGLLECPTSIV-OAHLLOKOSA-N 1 0 284.444 2.430 10 0 CEAERO CCC[NH2+][C@H](CN1C(=O)[C@@H]2[C@H](C1=O)C2(C)C)C(C)(C)C ZINC000068689239 520082908 /nfs/dbraw/zinc/08/29/08/520082908.db2.gz MUORTHZGZDJNKC-UTUOFQBUSA-N 1 0 280.412 2.042 10 0 CEAERO CCN[C@@H](CC[N@H+](C)C1CCC(C)CC1)C(=O)OC ZINC000062525176 520083902 /nfs/dbraw/zinc/08/39/02/520083902.db2.gz OGRZELTUCLCDIT-RUXDESIVSA-N 1 0 270.417 2.038 10 0 CEAERO CCCN[C@](C)(C[C@H](C)[N@H+](C)CC1CCC1)C(=O)OC ZINC000068642711 520111490 /nfs/dbraw/zinc/11/14/90/520111490.db2.gz FDCBDCNTVXVLIC-XJKSGUPXSA-N 1 0 284.444 2.428 10 0 CEAERO CCN[C@@](C)(C[C@@H](C)[NH+]1CCC(C)(C)CC1)C(=O)OC ZINC000068643232 520139849 /nfs/dbraw/zinc/13/98/49/520139849.db2.gz FMHUMNVCQVBTCB-CJNGLKHVSA-N 1 0 284.444 2.428 10 0 CEAERO CC[NH2+][C@@](CSc1ccc(C)cc1)(C(N)=O)C1CC1 ZINC000069186125 520158180 /nfs/dbraw/zinc/15/81/80/520158180.db2.gz UAASUCUEGCIVNF-OAHLLOKOSA-N 1 0 278.421 2.331 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N1CCC[C@H]1c1cccnc1 ZINC000061269829 520164709 /nfs/dbraw/zinc/16/47/09/520164709.db2.gz ZTRRTZQTJPSLFK-OCCSQVGLSA-N 1 0 261.369 2.133 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(F)cc1OCC(=O)N(C)CC ZINC000062747055 520178549 /nfs/dbraw/zinc/17/85/49/520178549.db2.gz YMRQOLKULBJUEU-LLVKDONJSA-N 1 0 282.359 2.353 10 0 CEAERO CC[NH2+][C@H](CCOc1ccccc1[C@@H](C)CC)C(N)=O ZINC000062551014 520194085 /nfs/dbraw/zinc/19/40/85/520194085.db2.gz OOUSZRCTBGPGEC-GXTWGEPZSA-N 1 0 278.396 2.432 10 0 CEAERO CCCC[N@H+](CC)C[C@](NCC)(C(=O)OC)C1CC1 ZINC000069090354 520479564 /nfs/dbraw/zinc/47/95/64/520479564.db2.gz DLCFZYRXXYECNL-OAHLLOKOSA-N 1 0 270.417 2.040 10 0 CEAERO CCCC[N@H+](CC[C@@H](NCC)C(=O)OC)[C@@H](C)CC ZINC000062527669 520538991 /nfs/dbraw/zinc/53/89/91/520538991.db2.gz DREDQVKVWWEYLD-UONOGXRCSA-N 1 0 272.433 2.428 10 0 CEAERO CCC[C@@H](C)[C@@H](C[NH3+])N1CCN(c2nccs2)CC1 ZINC000049952652 520669130 /nfs/dbraw/zinc/66/91/30/520669130.db2.gz UXUBQHAZFUHGDC-CHWSQXEVSA-N 1 0 282.457 2.029 10 0 CEAERO CCOC(=O)[C@@H](CC[NH+]1CCC(C)(C)CC1)NC(C)C ZINC000062532965 521058422 /nfs/dbraw/zinc/05/84/22/521058422.db2.gz GMJVDVMJRVVTGJ-CQSZACIVSA-N 1 0 284.444 2.428 10 0 CEAERO CCOC(=O)[C@](C)([NH3+])C[C@H](C)n1cc(C(F)(F)F)cn1 ZINC000068650419 521329016 /nfs/dbraw/zinc/32/90/16/521329016.db2.gz LWBGDRQVSFLZKN-GZMMTYOYSA-N 1 0 293.289 2.134 10 0 CEAERO CCCc1nc(N2CCOC(C)(C)C2)sc1C[NH3+] ZINC000054997839 521532129 /nfs/dbraw/zinc/53/21/29/521532129.db2.gz YMLLDIRTCVUAIB-UHFFFAOYSA-N 1 0 269.414 2.170 10 0 CEAERO CCC[N@H+](CC)C[C@@](NC(C)C)(C(=O)OCC)C1CC1 ZINC000069098158 521612321 /nfs/dbraw/zinc/61/23/21/521612321.db2.gz RCKDMXCQZJORHZ-INIZCTEOSA-N 1 0 284.444 2.428 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000061316367 521939060 /nfs/dbraw/zinc/93/90/60/521939060.db2.gz ULPBFFJBNBBGSX-IUCAKERBSA-N 1 0 266.307 2.222 10 0 CEAERO CCc1ccccc1[C@H](C[NH3+])N1CCOCC1(C)C ZINC000052203700 521952651 /nfs/dbraw/zinc/95/26/51/521952651.db2.gz PDHAPECFQVAMKW-HNNXBMFYSA-N 1 0 262.397 2.360 10 0 CEAERO C[NH2+]Cc1cnc(N2CCO[C@H]3CCCC[C@@H]32)s1 ZINC000054909098 522148041 /nfs/dbraw/zinc/14/80/41/522148041.db2.gz DCDQCPFUVSCGLI-RYUDHWBXSA-N 1 0 267.398 2.010 10 0 CEAERO C[NH2+]Cc1sc(N2CCOC[C@@H]2C)nc1C(C)(C)C ZINC000054997339 522166314 /nfs/dbraw/zinc/16/63/14/522166314.db2.gz VNIFJQRXCRFAEX-JTQLQIEISA-N 1 0 283.441 2.385 10 0 CEAERO CN[C@H](CC[NH+]1CCC2(CCCCC2)CC1)C(=O)OC ZINC000062532920 522458005 /nfs/dbraw/zinc/45/80/05/522458005.db2.gz VLTJAPYWRAFZAH-CQSZACIVSA-N 1 0 282.428 2.184 10 0 CEAERO CCc1nccn1C[C@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000052593190 522585944 /nfs/dbraw/zinc/58/59/44/522585944.db2.gz SFPADKUFRBKTKD-QWHCGFSZSA-N 1 0 265.401 2.381 10 0 CEAERO C[C@H](C[NH2+][C@H](C)c1cccs1)CS(C)(=O)=O ZINC000182546948 534126502 /nfs/dbraw/zinc/12/65/02/534126502.db2.gz OXNREWWAFPPOOR-NXEZZACHSA-N 1 0 261.412 2.079 10 0 CEAERO CC[NH2+]Cc1cnc(N2CCOC[C@H]2CC)c(Cl)c1 ZINC000051446848 517668864 /nfs/dbraw/zinc/66/88/64/517668864.db2.gz VGCWYADGRNIPPH-GFCCVEGCSA-N 1 0 283.803 2.460 10 0 CEAERO C/C=C/COc1c(OC)cc(C[NH2+]CCOC)cc1OC ZINC000062732854 518518562 /nfs/dbraw/zinc/51/85/62/518518562.db2.gz BTJNYTAIDVVANC-AATRIKPKSA-N 1 0 295.379 2.395 10 0 CEAERO CC(C)(C)[NH2+]C[C@H]1CCCCN1C1CCOCC1 ZINC000069311301 518761330 /nfs/dbraw/zinc/76/13/30/518761330.db2.gz OHULYNVXBORRSW-CQSZACIVSA-N 1 0 254.418 2.408 10 0 CEAERO CC(C)(C)[NH2+]Cc1ccc(O[C@H]2CCOC2=O)cc1 ZINC000062728791 518763669 /nfs/dbraw/zinc/76/36/69/518763669.db2.gz JEGXIBGYQHHIST-ZDUSSCGKSA-N 1 0 263.337 2.269 10 0 CEAERO CC(C)(C)[NH2+]Cc1cccc(OC[C@@H]2CNC(=O)O2)c1 ZINC000062731346 518765860 /nfs/dbraw/zinc/76/58/60/518765860.db2.gz FUYFHXPRDMOYRM-ZDUSSCGKSA-N 1 0 278.352 2.062 10 0 CEAERO CC(C)(C)[NH2+]Cc1cccc(O[C@H]2CCOC2=O)c1 ZINC000062731335 518766343 /nfs/dbraw/zinc/76/63/43/518766343.db2.gz JGOZOHKVRGWBFX-ZDUSSCGKSA-N 1 0 263.337 2.269 10 0 CEAERO CC(C)(C)[C@@H]1CCCc2c(N3CC[NH2+]CC3)n[nH]c21 ZINC000062670051 518942234 /nfs/dbraw/zinc/94/22/34/518942234.db2.gz VZVXDBGUQGBFJG-GFCCVEGCSA-N 1 0 262.401 2.285 10 0 CEAERO CC(C)C[C@@H]([NH3+])[C@H](O)c1ccc2c(c1)CCCN2C ZINC000054929396 519226588 /nfs/dbraw/zinc/22/65/88/519226588.db2.gz NUIGHPCNFGDWEE-GDBMZVCRSA-N 1 0 262.397 2.476 10 0 CEAERO CC(C)C[C@@H]1CNC(C)(C)C[N@@H+]1C[C@@H]1CCCO1 ZINC000062625508 519271418 /nfs/dbraw/zinc/27/14/18/519271418.db2.gz AQDPZIQYPHDGTH-KGLIPLIRSA-N 1 0 254.418 2.264 10 0 CEAERO CC(C)N(C(=O)CN1C[C@H](C)[NH2+][C@@H](C)C1)C1CCCCC1 ZINC000070078114 519556972 /nfs/dbraw/zinc/55/69/72/519556972.db2.gz 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ZINC000052181907 519909649 /nfs/dbraw/zinc/90/96/49/519909649.db2.gz VESLVOGUZRIZGB-UHFFFAOYSA-N 1 0 291.439 2.310 10 0 CEAERO CCC[NH2+]CC1(CN(C)Cc2cscn2)CCOCC1 ZINC000052182270 519910355 /nfs/dbraw/zinc/91/03/55/519910355.db2.gz SVJALPNOWOAMOV-UHFFFAOYSA-N 1 0 297.468 2.371 10 0 CEAERO CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2c1cnn(CC)c1 ZINC000054602066 519910941 /nfs/dbraw/zinc/91/09/41/519910941.db2.gz AHTWPBXQCFUYTM-AGUYFDCRSA-N 1 0 262.401 2.402 10 0 CEAERO CC[NH2+]CC1(CN2CCO[C@@H]3CCCC[C@@H]32)CCOCC1 ZINC000052197742 519914080 /nfs/dbraw/zinc/91/40/80/519914080.db2.gz LTPPRYRPJHYBNH-JKSUJKDBSA-N 1 0 296.455 2.036 10 0 CEAERO CC[NH2+]CCC(=O)NCc1ccccc1Br ZINC000061298969 519916875 /nfs/dbraw/zinc/91/68/75/519916875.db2.gz XREYRQJPYHAAFD-UHFFFAOYSA-N 1 0 285.185 2.065 10 0 CEAERO CC[NH2+]CCC(=O)Nc1cc(Cl)ccc1C(=O)OC ZINC000061290765 519917681 /nfs/dbraw/zinc/91/76/81/519917681.db2.gz AMSNQLPSCAUJQW-UHFFFAOYSA-N 1 0 284.743 2.065 10 0 CEAERO CC[NH2+]CCCCSc1nnc2ccccn21 ZINC000061408942 519919370 /nfs/dbraw/zinc/91/93/70/519919370.db2.gz ILBURLQXURJUGQ-UHFFFAOYSA-N 1 0 250.371 2.211 10 0 CEAERO CC(C)n1c(N)nnc1SCCC[NH+]1CCCC1 ZINC000062801412 519921303 /nfs/dbraw/zinc/92/13/03/519921303.db2.gz LOUFZZKKPLFHIG-UHFFFAOYSA-N 1 0 269.418 2.019 10 0 CEAERO CCC[NH2+]C[C@@H]1CCCN1CCOCC(F)(F)F ZINC000053648723 519922818 /nfs/dbraw/zinc/92/28/18/519922818.db2.gz IDMUNKUBZBEHED-NSHDSACASA-N 1 0 268.323 2.029 10 0 CEAERO CCC[NH2+]C[C@H](CC)Oc1ccc(S(C)(=O)=O)cc1 ZINC000052702006 519930979 /nfs/dbraw/zinc/93/09/79/519930979.db2.gz QUKXQSWWWABZRM-LBPRGKRZSA-N 1 0 285.409 2.247 10 0 CEAERO CCC[NH2+]C[C@H](C)c1c(C)nc(COC)nc1C ZINC000054854939 519931262 /nfs/dbraw/zinc/93/12/62/519931262.db2.gz MUJBNLNJXDSEPX-JTQLQIEISA-N 1 0 251.374 2.343 10 0 CEAERO CCC[NH2+]C[C@H](O)CSc1nc2cc(C)ccc2[nH]1 ZINC000061440389 519932777 /nfs/dbraw/zinc/93/27/77/519932777.db2.gz ODTCMXYGNGOBKS-NSHDSACASA-N 1 0 279.409 2.324 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)NCCCN(CC)c1ccccc1 ZINC000061267293 519934981 /nfs/dbraw/zinc/93/49/81/519934981.db2.gz BUXWBIPPWMRYNS-OAHLLOKOSA-N 1 0 291.439 2.265 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000061227637 519938824 /nfs/dbraw/zinc/93/88/24/519938824.db2.gz GMKADUZPFJPWIK-LLVKDONJSA-N 1 0 250.342 2.188 10 0 CEAERO CCC[NH2+]C[C@]1(CCOCC(F)(F)F)CCOC1 ZINC000054664665 519939930 /nfs/dbraw/zinc/93/99/30/519939930.db2.gz CVPBUHPQJGUTFC-LLVKDONJSA-N 1 0 269.307 2.362 10 0 CEAERO CCC[NH2+]C[C@H]1OCCN(C)[C@@H]1c1ccc(F)cc1 ZINC000070285713 519940151 /nfs/dbraw/zinc/94/01/51/519940151.db2.gz PZRDCVYFSSQFSO-HUUCEWRRSA-N 1 0 266.360 2.197 10 0 CEAERO CCC[NH2+]C[C@H]1OCCN(C)[C@@H]1c1ccsc1 ZINC000070286066 519941032 /nfs/dbraw/zinc/94/10/32/519941032.db2.gz SZTJWCUOUDXPHY-CHWSQXEVSA-N 1 0 254.399 2.119 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1nc2c(s1)CCCC2 ZINC000061267801 519942861 /nfs/dbraw/zinc/94/28/61/519942861.db2.gz POYPWYXMBUYFQA-SECBINFHSA-N 1 0 267.398 2.206 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ncc(Br)s1 ZINC000061234132 519942880 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519966256 /nfs/dbraw/zinc/96/62/56/519966256.db2.gz RSAVURYRBLSEFB-UHFFFAOYSA-N 1 0 261.369 2.225 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccc(N(C)C)cc1C ZINC000061230966 519967538 /nfs/dbraw/zinc/96/75/38/519967538.db2.gz AAAYRHFNDUNLGP-LBPRGKRZSA-N 1 0 263.385 2.245 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccccc1-n1cccn1 ZINC000061232217 519968536 /nfs/dbraw/zinc/96/85/36/519968536.db2.gz PZOLTIPYDZMMHT-LBPRGKRZSA-N 1 0 272.352 2.056 10 0 CEAERO CCC[NH2+]Cc1nnnn1-c1cccc(Cl)c1C ZINC000054744825 519970674 /nfs/dbraw/zinc/97/06/74/519970674.db2.gz PWXZRZXRKCBCJE-UHFFFAOYSA-N 1 0 265.748 2.124 10 0 CEAERO CC[NH2+]C[C@H](C)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000061219069 519971669 /nfs/dbraw/zinc/97/16/69/519971669.db2.gz INGNFUHWPBHEKT-VIFPVBQESA-N 1 0 261.325 2.047 10 0 CEAERO CC[NH2+]C[C@H](CC)N1CCN(c2ccccc2OC)CC1 ZINC000052422918 519971798 /nfs/dbraw/zinc/97/17/98/519971798.db2.gz NFMVXSKPSGUSKQ-HNNXBMFYSA-N 1 0 291.439 2.205 10 0 CEAERO CC[NH2+]C[C@H](C[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 ZINC000052950596 519972681 /nfs/dbraw/zinc/97/26/81/519972681.db2.gz LULQIYKZSYVHER-UPJWGTAASA-N 1 0 261.431 2.083 10 0 CEAERO CC[NH2+]Cc1c(C)nn(C[C@H]2CCCCO2)c1C ZINC000054717398 519985486 /nfs/dbraw/zinc/98/54/86/519985486.db2.gz ZFHSPYDJVOPPQS-CYBMUJFWSA-N 1 0 251.374 2.179 10 0 CEAERO CC[NH2+]Cc1cc(OC)c(OC)cc1-c1cncnc1 ZINC000052886647 519993579 /nfs/dbraw/zinc/99/35/79/519993579.db2.gz MGOVSMHPDKSUIP-UHFFFAOYSA-N 1 0 273.336 2.270 10 0 CEAERO CC[NH2+]Cc1cccc(OC)c1OC[C@@H](O)C(F)(F)F ZINC000068876610 520006954 /nfs/dbraw/zinc/00/69/54/520006954.db2.gz XIJAOGJGZZLIBR-LLVKDONJSA-N 1 0 293.285 2.107 10 0 CEAERO CC[NH2+]Cc1cnc(N2C[C@H](C)OC[C@H]2CC)s1 ZINC000054908774 520017444 /nfs/dbraw/zinc/01/74/44/520017444.db2.gz OCFJWISHHRJBCW-WDEREUQCSA-N 1 0 269.414 2.256 10 0 CEAERO CC[NH2+]Cc1nc(C(C)C)ncc1-n1ccc(C)n1 ZINC000052885185 520021934 /nfs/dbraw/zinc/02/19/34/520021934.db2.gz LCEGZTAOZJNMNV-UHFFFAOYSA-N 1 0 259.357 2.204 10 0 CEAERO CCC[NH2+][C@@H]1COc2cc(O[C@H](C)C(=O)OCC)ccc21 ZINC000062805035 520030063 /nfs/dbraw/zinc/03/00/63/520030063.db2.gz QAOMEGRHACXXFD-BXUZGUMPSA-N 1 0 293.363 2.450 10 0 CEAERO CC[NH2+]Cc1sc(N2C[C@@H](C)O[C@@H](C)C2)nc1CC ZINC000054995486 520034429 /nfs/dbraw/zinc/03/44/29/520034429.db2.gz JROGZNVNRCZXNL-PHIMTYICSA-N 1 0 283.441 2.429 10 0 CEAERO CCCN[C@@](C[N@H+](CC)[C@@H](C)CC)(C(=O)OC)C1CC1 ZINC000069097528 520051533 /nfs/dbraw/zinc/05/15/33/520051533.db2.gz FIIRJDACNMNTFE-XJKSGUPXSA-N 1 0 284.444 2.428 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)NCCSc1ccccc1 ZINC000061272859 520063840 /nfs/dbraw/zinc/06/38/40/520063840.db2.gz KKQSNOOMXGLJRC-LBPRGKRZSA-N 1 0 266.410 2.283 10 0 CEAERO CCCN[C@H](CC[N@H+](C)C1CCC(C)CC1)C(=O)OC ZINC000062525187 520068988 /nfs/dbraw/zinc/06/89/88/520068988.db2.gz AZLFYQMVRDIXIB-YMAMQOFZSA-N 1 0 284.444 2.428 10 0 CEAERO CC[NH2+][C@@H](C)CCc1ccc(OC[C@@H](O)COCC)cc1 ZINC000069275340 520072173 /nfs/dbraw/zinc/07/21/73/520072173.db2.gz SOTRDWXEMPQXGX-HOCLYGCPSA-N 1 0 295.423 2.393 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(OCCCC(=O)NC)cc1 ZINC000068816278 520076972 /nfs/dbraw/zinc/07/69/72/520076972.db2.gz YJMVVJMCMJWHDA-LBPRGKRZSA-N 1 0 264.369 2.262 10 0 CEAERO CC[NH2+][C@@H](CCN1CCOCC1)c1ccc(F)cc1 ZINC000053976368 520088502 /nfs/dbraw/zinc/08/85/02/520088502.db2.gz NLKSEWUOJSIQBI-HNNXBMFYSA-N 1 0 266.360 2.199 10 0 CEAERO CCC[NH2+][C@H](c1ccc2c(c1)NC(=O)CO2)[C@@H]1CCOC1 ZINC000048625868 520091304 /nfs/dbraw/zinc/09/13/04/520091304.db2.gz PTWSHIRPBUAAFI-MLGOLLRUSA-N 1 0 290.363 2.095 10 0 CEAERO CCC[NH2+][C@H]1CCN(Cc2nccs2)C[C@@H]1C ZINC000049714064 520094063 /nfs/dbraw/zinc/09/40/63/520094063.db2.gz VDFRRMNKTMPDDZ-RYUDHWBXSA-N 1 0 253.415 2.353 10 0 CEAERO CCC[NH2+][C@H]1COc2cc(OCc3nnc(C)o3)ccc21 ZINC000062805060 520097291 /nfs/dbraw/zinc/09/72/91/520097291.db2.gz QOWXCVIJEGYIPL-ZDUSSCGKSA-N 1 0 289.335 2.390 10 0 CEAERO CCC[NH2+][C@H]1COc2cc(OCCCC(=O)NC)ccc21 ZINC000068817029 520097852 /nfs/dbraw/zinc/09/78/52/520097852.db2.gz GMNCJZSPERXJLF-AWEZNQCLSA-N 1 0 292.379 2.025 10 0 CEAERO CCN(C(=O)c1cc[nH+]c(NN)c1)c1ccccc1C ZINC000051088818 520110383 /nfs/dbraw/zinc/11/03/83/520110383.db2.gz SESSPFLZZHQNNE-UHFFFAOYSA-N 1 0 270.336 2.342 10 0 CEAERO CC[NH2+][C@@H](c1ccc2c(c1)NC(=O)CO2)C1CCOCC1 ZINC000061671924 520111545 /nfs/dbraw/zinc/11/15/45/520111545.db2.gz BNNJFHOINTZQAP-MRXNPFEDSA-N 1 0 290.363 2.095 10 0 CEAERO CCC[NH2+][C@](C)(C[C@@H](C)[NH+]1CCCCC1)C(=O)[O-] ZINC000068620371 520112515 /nfs/dbraw/zinc/11/25/15/520112515.db2.gz SEKPGRBXDUAMDF-TZMCWYRMSA-N 1 0 256.390 2.094 10 0 CEAERO CCC[NH2+][C@](C)(C[C@H](C)Oc1ccc(OC)cc1)C(N)=O ZINC000068656847 520114220 /nfs/dbraw/zinc/11/42/20/520114220.db2.gz HTOLUUQAHFQYEP-BLLLJJGKSA-N 1 0 294.395 2.096 10 0 CEAERO CCCN[C@](C[N@H+](C)C1CCCC1)(C(=O)OC)C1CC1 ZINC000069097358 520117037 /nfs/dbraw/zinc/11/70/37/520117037.db2.gz ANXKGVDRUIHICX-INIZCTEOSA-N 1 0 282.428 2.182 10 0 CEAERO CC[NH2+][C@@H]1CCc2c1cccc2OC[C@@H](O)COCC ZINC000069276161 520123248 /nfs/dbraw/zinc/12/32/48/520123248.db2.gz FCKFQACSCRMQKS-SWLSCSKDSA-N 1 0 279.380 2.060 10 0 CEAERO CC[NH2+][C@@](C)(CCCN(C)c1ccccc1C)C(N)=O ZINC000049990090 520130963 /nfs/dbraw/zinc/13/09/63/520130963.db2.gz YXOKKRQBCJOIBW-INIZCTEOSA-N 1 0 277.412 2.065 10 0 CEAERO CCCCCC[C@H](C[NH2+]C)[C@@H]1CCS(=O)(=O)C1 ZINC000052949688 520134811 /nfs/dbraw/zinc/13/48/11/520134811.db2.gz DSKZAKPFQXWXBM-CHWSQXEVSA-N 1 0 261.431 2.227 10 0 CEAERO CCN[C@@](C)(C[C@@H](C)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(N)=O ZINC000068627060 520139611 /nfs/dbraw/zinc/13/96/11/520139611.db2.gz DVBZJHZILFWJEG-DLTWYDFYSA-N 1 0 295.471 2.131 10 0 CEAERO CCCNc1ccc(C(=O)N2CCC[N@H+](C)CC2)cc1 ZINC000050711743 520144038 /nfs/dbraw/zinc/14/40/38/520144038.db2.gz BTVDWPHIJGZNGA-UHFFFAOYSA-N 1 0 275.396 2.286 10 0 CEAERO CCCNc1ccc(C(=O)NC[C@H](C)[NH+](C)C)cc1C ZINC000063057777 520149144 /nfs/dbraw/zinc/14/91/44/520149144.db2.gz POAKXWXIVRUGPV-ZDUSSCGKSA-N 1 0 277.412 2.497 10 0 CEAERO CC[NH2+][C@@](CN(CC)c1ccccc1C)(C(N)=O)C1CC1 ZINC000069089931 520151965 /nfs/dbraw/zinc/15/19/65/520151965.db2.gz XFTNEEAFGBRCFJ-QGZVFWFLSA-N 1 0 289.423 2.065 10 0 CEAERO CCCNc1ccc(C)cc1C(=O)NCC[NH+](C)C ZINC000053000218 520154182 /nfs/dbraw/zinc/15/41/82/520154182.db2.gz XEYCJZMFIXZLON-UHFFFAOYSA-N 1 0 263.385 2.108 10 0 CEAERO CC[NH2+][C@@](CSc1cccc(C)c1)(C(N)=O)C1CC1 ZINC000069188609 520157804 /nfs/dbraw/zinc/15/78/04/520157804.db2.gz DDPTYLAFLPSPQV-OAHLLOKOSA-N 1 0 278.421 2.331 10 0 CEAERO CC[NH2+][C@@](CSc1ccccc1)(C(N)=O)C1CC1 ZINC000069185551 520159050 /nfs/dbraw/zinc/15/90/50/520159050.db2.gz ONWQRFIIUYAOLQ-CQSZACIVSA-N 1 0 264.394 2.022 10 0 CEAERO CCCNc1ccc(Cl)cc1C(=O)NCC[NH+](C)C ZINC000050725977 520163599 /nfs/dbraw/zinc/16/35/99/520163599.db2.gz QZIPPXZRWLKVMC-UHFFFAOYSA-N 1 0 283.803 2.453 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N[C@@H](C)CCc1ccco1 ZINC000061273649 520167554 /nfs/dbraw/zinc/16/75/54/520167554.db2.gz LJUNSEBWJQMNQE-NWDGAFQWSA-N 1 0 252.358 2.105 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N[C@H](C)c1ccc(OC)c(F)c1 ZINC000061270967 520168442 /nfs/dbraw/zinc/16/84/42/520168442.db2.gz PIHXDXVMWDXJOA-GHMZBOCLSA-N 1 0 282.359 2.400 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(F)cc1OC[C@H](O)COCC ZINC000069276107 520178007 /nfs/dbraw/zinc/17/80/07/520178007.db2.gz KDPPCBAOLCSYGO-DGCLKSJQSA-N 1 0 285.359 2.272 10 0 CEAERO CC[NH2+][C@H](C)c1cccc(NC(=O)c2cn[nH]c2)c1 ZINC000062775435 520179773 /nfs/dbraw/zinc/17/97/73/520179773.db2.gz YHJZDPIDGVINJT-SNVBAGLBSA-N 1 0 258.325 2.333 10 0 CEAERO CCCNc1ccnc(C(=O)N[C@H](C)C[NH+](CC)CC)c1 ZINC000050780549 520184987 /nfs/dbraw/zinc/18/49/87/520184987.db2.gz UJOLFYOWOHHNBB-CYBMUJFWSA-N 1 0 292.427 2.364 10 0 CEAERO CCCNc1ncccc1C(=O)N[C@H](C)C[NH+](CC)CC ZINC000050780559 520194840 /nfs/dbraw/zinc/19/48/40/520194840.db2.gz HIONVSGWCDTNLG-CYBMUJFWSA-N 1 0 292.427 2.364 10 0 CEAERO CC[NH2+][C@H](Cc1ccc(OC)cc1)c1cnccn1 ZINC000069499714 520202189 /nfs/dbraw/zinc/20/21/89/520202189.db2.gz RXJXKSQTPVBGRN-CQSZACIVSA-N 1 0 257.337 2.379 10 0 CEAERO CC[NH2+][C@H](Cc1cnn(C)c1)Cc1ccccc1OC ZINC000050543007 520203741 /nfs/dbraw/zinc/20/37/41/520203741.db2.gz WGDFTJGWRSOPSS-OAHLLOKOSA-N 1 0 273.380 2.192 10 0 CEAERO CC[NH2+][C@H](c1cc(OC)c(OC)cc1C)[C@H]1COCCO1 ZINC000055300919 520205509 /nfs/dbraw/zinc/20/55/09/520205509.db2.gz SHLSKPXPAUPKJR-HZPDHXFCSA-N 1 0 295.379 2.078 10 0 CEAERO CC[NH2+][C@H]1CCN(Cc2ccc3c(c2)OCO3)C[C@@H]1C ZINC000061674898 520215252 /nfs/dbraw/zinc/21/52/52/520215252.db2.gz ZERIFQGRZLFWJT-JSGCOSHPSA-N 1 0 276.380 2.235 10 0 CEAERO CC[NH2+][C@H]1CC[C@H](c2ccccc2)C[C@@H]1S(C)(=O)=O ZINC000054930395 520220175 /nfs/dbraw/zinc/22/01/75/520220175.db2.gz MOLZUTWHLKZIJX-KKUMJFAQSA-N 1 0 281.421 2.345 10 0 CEAERO CC1(C(=O)NC23CC4CC(CC(C4)C2)C3)CC[NH2+]CC1 ZINC000062839482 520221095 /nfs/dbraw/zinc/22/10/95/520221095.db2.gz KFSCRACYORJYGF-UHFFFAOYSA-N 1 0 276.424 2.461 10 0 CEAERO CC[NH2+][C@](C)(C[C@H](C)Oc1ccc2c(c1)CCC2)C(N)=O ZINC000068654508 520239438 /nfs/dbraw/zinc/23/94/38/520239438.db2.gz JZYJPYUZKXMOJR-YVEFUNNKSA-N 1 0 290.407 2.186 10 0 CEAERO CCN[C@](C[N@H+](C)C(CC)CC)(C(=O)OC)C1CC1 ZINC000069099557 520242670 /nfs/dbraw/zinc/24/26/70/520242670.db2.gz IYBLDFRXDXIVSA-HNNXBMFYSA-N 1 0 270.417 2.038 10 0 CEAERO CCNc1cc(C(=O)N(CC[NH+](C)C)CC(C)C)ccn1 ZINC000050774395 520258344 /nfs/dbraw/zinc/25/83/44/520258344.db2.gz MVJQVQAPYQMCDB-UHFFFAOYSA-N 1 0 292.427 2.173 10 0 CEAERO CC1(C)CC(=O)N(c2ccc3c(c2)C[NH2+]CC3)C(=O)C1 ZINC000069052876 520274180 /nfs/dbraw/zinc/27/41/80/520274180.db2.gz DWLLCLUKFYLPDB-UHFFFAOYSA-N 1 0 272.348 2.012 10 0 CEAERO CCCCC[C@@H](C)NS(=O)(=O)C[C@@H]1CCCC[NH2+]1 ZINC000049631380 520286661 /nfs/dbraw/zinc/28/66/61/520286661.db2.gz UYVATGCBLMEKBJ-OLZOCXBDSA-N 1 0 276.446 2.017 10 0 CEAERO CCNc1ccc(C(=O)N[C@H](C[NH+](C)C)C(C)C)cc1 ZINC000050779757 520294406 /nfs/dbraw/zinc/29/44/06/520294406.db2.gz VILMQXHYOPDPCQ-OAHLLOKOSA-N 1 0 277.412 2.434 10 0 CEAERO CCCOc1ccc(OCC[NH2+]CCOC)cc1 ZINC000049633190 520408745 /nfs/dbraw/zinc/40/87/45/520408745.db2.gz HZKXYLUGDDWGRP-UHFFFAOYSA-N 1 0 253.342 2.090 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]CCc2cccnc2)C12CCOCC2 ZINC000186235335 520425332 /nfs/dbraw/zinc/42/53/32/520425332.db2.gz LVIZARUSVDBKTB-JKSUJKDBSA-N 1 0 290.407 2.188 10 0 CEAERO CC1(C)CN(C(=O)c2ccc(N)cc2Cl)CC[C@H]1[NH3+] ZINC000261884465 520453767 /nfs/dbraw/zinc/45/37/67/520453767.db2.gz PPAFNNUVKWYMOH-GFCCVEGCSA-N 1 0 281.787 2.122 10 0 CEAERO CCCC[NH+](CCCC)CC[C@@H](N)C(=O)OCC ZINC000062444537 520493696 /nfs/dbraw/zinc/49/36/96/520493696.db2.gz BUMQLOOYVNGDCD-CYBMUJFWSA-N 1 0 258.406 2.169 10 0 CEAERO CCCOc1nc(Cl)nc(OCC[NH+](CC)CC)n1 ZINC000061521872 520495842 /nfs/dbraw/zinc/49/58/42/520495842.db2.gz KBVLAHQSBVBIAV-UHFFFAOYSA-N 1 0 288.779 2.034 10 0 CEAERO CCO[C@H](C[NH3+])CCn1ccc2cc(OC)ccc21 ZINC000062741403 520517473 /nfs/dbraw/zinc/51/74/73/520517473.db2.gz ZTKLXIJKDXHHNY-AWEZNQCLSA-N 1 0 262.353 2.404 10 0 CEAERO CCCC[N@H+](CC[C@H](NC)C(=O)OCC)[C@@H](C)CC ZINC000062527527 520539603 /nfs/dbraw/zinc/53/96/03/520539603.db2.gz WLZXRECFTBOZJB-KBPBESRZSA-N 1 0 272.433 2.428 10 0 CEAERO CCCC[N@H+](CC[C@@H](NC(C)C)C(=O)OC)C1CC1 ZINC000062459319 520539816 /nfs/dbraw/zinc/53/98/16/520539816.db2.gz WZLREZYHOVEOLX-CQSZACIVSA-N 1 0 270.417 2.181 10 0 CEAERO CCOC(=O)CCC[NH2+]CC(=O)Nc1c(C)cccc1C ZINC000070270229 520658463 /nfs/dbraw/zinc/65/84/63/520658463.db2.gz AUTMKDAGLBIYIW-UHFFFAOYSA-N 1 0 292.379 2.175 10 0 CEAERO CC[NH+](CC)CCN[C@@H](CO)c1cccc2cccnc21 ZINC000069504808 520689710 /nfs/dbraw/zinc/68/97/10/520689710.db2.gz LCTSYTUFSKEQFO-INIZCTEOSA-N 1 0 287.407 2.200 10 0 CEAERO CCC[C@@H](NC(=O)[C@@H]([NH3+])CCOC)c1cccs1 ZINC000052810141 520745408 /nfs/dbraw/zinc/74/54/08/520745408.db2.gz AMGZCJJUIKUOCX-WDEREUQCSA-N 1 0 270.398 2.069 10 0 CEAERO CCCCOCCNC(=O)C[NH2+][C@@H](C)c1cccs1 ZINC000182554462 520768884 /nfs/dbraw/zinc/76/88/84/520768884.db2.gz OQXFQLOLYHBZBA-LBPRGKRZSA-N 1 0 284.425 2.332 10 0 CEAERO CCOC(=O)COc1cc(OC)ccc1C[NH2+]CC(C)C ZINC000062733227 520800786 /nfs/dbraw/zinc/80/07/86/520800786.db2.gz APZBLYGEYVDYCR-UHFFFAOYSA-N 1 0 295.379 2.383 10 0 CEAERO CC1CCC(CNC(=O)[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000063147055 520921472 /nfs/dbraw/zinc/92/14/72/520921472.db2.gz NXIXAUGMSUJNJK-HHTDUIENSA-N 1 0 252.402 2.317 10 0 CEAERO CC1CCC(NC(=O)[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C)CC1 ZINC000055124483 520949650 /nfs/dbraw/zinc/94/96/50/520949650.db2.gz ZVQKSEBURQGRTH-CQFNGFPHSA-N 1 0 252.402 2.445 10 0 CEAERO CC1CCC(NC(=O)[C@H]2CCC[C@H](C[NH3+])C2)CC1 ZINC000055146049 520951348 /nfs/dbraw/zinc/95/13/48/520951348.db2.gz ZOXZYCCTOPGULB-QPPOZKHWSA-N 1 0 252.402 2.446 10 0 CEAERO CC[N@H+](CC1CC1)[C@@H](C)C(=O)Nc1cc(N)ccc1F ZINC000069237157 520964103 /nfs/dbraw/zinc/96/41/03/520964103.db2.gz ATJFVAJISQVACO-JTQLQIEISA-N 1 0 279.359 2.467 10 0 CEAERO CCN(CC1CC1)c1nc2sccn2c1CC[NH3+] ZINC000069265120 520970871 /nfs/dbraw/zinc/97/08/71/520970871.db2.gz OKTCCMAMURUBCU-UHFFFAOYSA-N 1 0 264.398 2.133 10 0 CEAERO CCN(CC1CC1)c1nc2ccccn2c1C[C@H](C)[NH3+] ZINC000069265032 520970944 /nfs/dbraw/zinc/97/09/44/520970944.db2.gz NKZZAGUIOSWHRE-LBPRGKRZSA-N 1 0 272.396 2.460 10 0 CEAERO CCOC(=O)[C@@H](C)NC(=O)Nc1ccc([C@H](C)[NH2+]C)cc1 ZINC000049495662 521018155 /nfs/dbraw/zinc/01/81/55/521018155.db2.gz TYYGPBNWPUIICS-WDEREUQCSA-N 1 0 293.367 2.040 10 0 CEAERO CCOC(=O)[C@@H](CC[N@H+](C)CCC(C)C)NC(C)C ZINC000062526092 521055354 /nfs/dbraw/zinc/05/53/54/521055354.db2.gz WSAJKROTCRYSSP-CQSZACIVSA-N 1 0 272.433 2.284 10 0 CEAERO CCN(CC[NH2+]C1CCOCC1)c1ccc(F)cc1 ZINC000062767787 521075980 /nfs/dbraw/zinc/07/59/80/521075980.db2.gz ZEGUBOIRRZXKBM-UHFFFAOYSA-N 1 0 266.360 2.421 10 0 CEAERO CCC[C@H](C[NH2+]CCOC)Cc1cnn(CC)c1 ZINC000054662889 521101616 /nfs/dbraw/zinc/10/16/16/521101616.db2.gz FCGIVOSFSMJWKV-ZDUSSCGKSA-N 1 0 253.390 2.098 10 0 CEAERO CCC[C@H]([NH3+])[C@@H](CC)N1CCN(CC(F)(F)F)CC1 ZINC000061941083 521121069 /nfs/dbraw/zinc/12/10/69/521121069.db2.gz XCNWGACEGXKIHZ-NWDGAFQWSA-N 1 0 281.366 2.072 10 0 CEAERO CCN(CCOC)c1nc2c(s1)[C@H]([NH2+]C)CCC2 ZINC000054908250 521139522 /nfs/dbraw/zinc/13/95/22/521139522.db2.gz DEHWZEKOLHEBBP-SNVBAGLBSA-N 1 0 269.414 2.213 10 0 CEAERO CCCC[C@H](C)NS(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050889782 521148914 /nfs/dbraw/zinc/14/89/14/521148914.db2.gz NGDMJGUNWUQFGM-STQMWFEESA-N 1 0 276.446 2.017 10 0 CEAERO CCOC(=O)[C@@](C)(C[C@H](C)[N@H+](C)CC(C)C)NC1CC1 ZINC000068622744 521149572 /nfs/dbraw/zinc/14/95/72/521149572.db2.gz NIQFCUOBQVONKA-XJKSGUPXSA-N 1 0 284.444 2.427 10 0 CEAERO CCOC(=O)[C@@](N)(C[NH+](CC(C)C)CC(C)C)C1CC1 ZINC000069100862 521172297 /nfs/dbraw/zinc/17/22/97/521172297.db2.gz DCUSTTPLORFFKR-MRXNPFEDSA-N 1 0 284.444 2.271 10 0 CEAERO CCCC[C@H](C[NH2+]C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000052951173 521192887 /nfs/dbraw/zinc/19/28/87/521192887.db2.gz KQESXQXCVJQMOQ-OLZOCXBDSA-N 1 0 261.431 2.226 10 0 CEAERO CCC[C@H]1CN(CCn2ccnc2C)[C@@](C)(C2CC2)C[NH2+]1 ZINC000068702532 521221837 /nfs/dbraw/zinc/22/18/37/521221837.db2.gz ISWJEUUQADGZAJ-DLBZAZTESA-N 1 0 290.455 2.434 10 0 CEAERO CCC[C@H]1C[C@H]([NH2+]C2CCN(C(=O)C3CC3)CC2)CCO1 ZINC000070356363 521247197 /nfs/dbraw/zinc/24/71/97/521247197.db2.gz OPQQRWJOSBOQSG-CVEARBPZSA-N 1 0 294.439 2.325 10 0 CEAERO CCOC(=O)[C@H](N)CC[N@H+](C)C1CCC(CC)CC1 ZINC000062526052 521255893 /nfs/dbraw/zinc/25/58/93/521255893.db2.gz LSLOIBPJHYXVQU-JXQTWKCFSA-N 1 0 270.417 2.168 10 0 CEAERO CCC[C@](C)([NH3+])C(=O)Nc1ccc(OC)c(C)c1 ZINC000049531965 521278569 /nfs/dbraw/zinc/27/85/69/521278569.db2.gz BYZJIVIPWNCPQH-AWEZNQCLSA-N 1 0 250.342 2.460 10 0 CEAERO CCC[C@]1(C(=O)N(C)Cc2ccco2)CC[NH2+]C1 ZINC000062890682 521297854 /nfs/dbraw/zinc/29/78/54/521297854.db2.gz LQMQGGYZSIDPBS-AWEZNQCLSA-N 1 0 250.342 2.018 10 0 CEAERO CCOC(=O)[C@](C)(C[C@@H](C)[N@H+]1C[C@H](C)C[C@H](C)C1)NC ZINC000068618198 521322227 /nfs/dbraw/zinc/32/22/27/521322227.db2.gz DVFDLLPMRIBDNL-CTASWTNQSA-N 1 0 284.444 2.284 10 0 CEAERO CCOC(=O)[C@](C)(C[C@H](C)[N@@H+]1CCCC(C)(C)C1)NC ZINC000068647865 521324940 /nfs/dbraw/zinc/32/49/40/521324940.db2.gz FSIGZCRQSNOGFN-BBRMVZONSA-N 1 0 284.444 2.428 10 0 CEAERO CCOC(=O)[C@](C)([NH3+])CCCn1nc(C)c(Cl)c1C ZINC000050588064 521327566 /nfs/dbraw/zinc/32/75/66/521327566.db2.gz OWLVTFYYDBVMND-CYBMUJFWSA-N 1 0 287.791 2.214 10 0 CEAERO CCOC(=O)[C@](C)([NH3+])C[C@H](C)n1nc(C)c(CC)c1C ZINC000068649207 521329728 /nfs/dbraw/zinc/32/97/28/521329728.db2.gz VUVOSLRLKYLUNB-ZUZCIYMTSA-N 1 0 281.400 2.294 10 0 CEAERO CCC(C)(C)NC(=O)[C@@H](C)Oc1ccc2c(c1)OC[C@H]2[NH3+] ZINC000062803857 521334998 /nfs/dbraw/zinc/33/49/98/521334998.db2.gz HCLIVKIOZHKUGR-ZWNOBZJWSA-N 1 0 292.379 2.151 10 0 CEAERO CCCc1ccc(-c2cc(N3CC[NH2+]CC3)n[nH]2)cc1 ZINC000062669888 521385593 /nfs/dbraw/zinc/38/55/93/521385593.db2.gz XKORYXYRJJHBKC-UHFFFAOYSA-N 1 0 270.380 2.439 10 0 CEAERO CCCc1nc(COc2c(CC[NH3+])cccc2OC)no1 ZINC000049344129 521519510 /nfs/dbraw/zinc/51/95/10/521519510.db2.gz CPDCYBGMUSZXRQ-UHFFFAOYSA-N 1 0 291.351 2.111 10 0 CEAERO CCCc1[nH+]c2cc(N)ccc2n1[C@@H](C)c1nncn1C ZINC000052853460 521541579 /nfs/dbraw/zinc/54/15/79/521541579.db2.gz XMMBVANQWLVCEK-JTQLQIEISA-N 1 0 284.367 2.309 10 0 CEAERO CCCc1[nH+]c2cc(N)ccc2n1[C@@H]1CCCNC1=O ZINC000052853419 521542551 /nfs/dbraw/zinc/54/25/51/521542551.db2.gz QGKHTZNAVRVQII-CYBMUJFWSA-N 1 0 272.352 2.022 10 0 CEAERO CCC(CC)N(CCO)Cc1[nH+]c(NN)ccc1Cl ZINC000061638485 521553458 /nfs/dbraw/zinc/55/34/58/521553458.db2.gz DLPRDGBEEFJYPG-UHFFFAOYSA-N 1 0 286.807 2.004 10 0 CEAERO CCC(CC)[N@H+](CCO)Cc1ccnc(NC)c1 ZINC000052729143 521553569 /nfs/dbraw/zinc/55/35/69/521553569.db2.gz QFNPQRYJAAZXPL-UHFFFAOYSA-N 1 0 251.374 2.106 10 0 CEAERO CCC(CC)N(CCOC)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000055088576 521556851 /nfs/dbraw/zinc/55/68/51/521556851.db2.gz CUGIKHGLZVBJCU-UONOGXRCSA-N 1 0 270.417 2.168 10 0 CEAERO CCOc1ccccc1OCC[C@H](C[NH3+])OCC ZINC000062741546 521567273 /nfs/dbraw/zinc/56/72/73/521567273.db2.gz SJAFXKJEWHUQRM-GFCCVEGCSA-N 1 0 253.342 2.218 10 0 CEAERO CCOc1nc(N[C@H](CC(C)C)C[NH+](C)C)ccc1N ZINC000049555012 521606492 /nfs/dbraw/zinc/60/64/92/521606492.db2.gz KELTYFQUNZBAMN-GFCCVEGCSA-N 1 0 280.416 2.451 10 0 CEAERO CCCn1c(S[C@@H](C[NH3+])c2cccc(C)c2)n[nH]c1=O ZINC000061594787 521634860 /nfs/dbraw/zinc/63/48/60/521634860.db2.gz HHYZGBZZNJPSFC-LBPRGKRZSA-N 1 0 292.408 2.082 10 0 CEAERO CCC[NH+](CCC)C[C@](NCC)(C(=O)OCC)C1CC1 ZINC000069095610 521648058 /nfs/dbraw/zinc/64/80/58/521648058.db2.gz NWWIABAPTMIOEK-MRXNPFEDSA-N 1 0 284.444 2.430 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)c2cccc3c2CCCN3)C1 ZINC000061412285 521648600 /nfs/dbraw/zinc/64/86/00/521648600.db2.gz MFPLGSQPPIUXRW-ZDUSSCGKSA-N 1 0 287.407 2.259 10 0 CEAERO CCCn1ccnc(N[C@H](C)c2ccc(C[NH3+])cc2)c1=O ZINC000061759237 521661031 /nfs/dbraw/zinc/66/10/31/521661031.db2.gz UGFBDYSDXRHWCP-GFCCVEGCSA-N 1 0 286.379 2.285 10 0 CEAERO CCC1(C(=O)N2C[C@@H](C)C[C@H](C)C2)CC[NH2+]CC1 ZINC000062847794 521664690 /nfs/dbraw/zinc/66/46/90/521664690.db2.gz LRKNOINMEDJFLQ-STQMWFEESA-N 1 0 252.402 2.271 10 0 CEAERO CC[N@@H+]1CC[C@H](CNc2cc(C)nc(Cl)n2)C1 ZINC000052814433 521717985 /nfs/dbraw/zinc/71/79/85/521717985.db2.gz PPHDXQUQPJCQCY-SNVBAGLBSA-N 1 0 254.765 2.192 10 0 CEAERO CCNC(=O)CN(C)c1ccccc1C[NH2+]C(C)(C)C ZINC000062737478 521736261 /nfs/dbraw/zinc/73/62/61/521736261.db2.gz VGJLDAVRNGRKRR-UHFFFAOYSA-N 1 0 277.412 2.147 10 0 CEAERO CCNC(=O)[C@H](C)Oc1cc(F)ccc1[C@H](C)[NH2+]CC ZINC000062747026 521745669 /nfs/dbraw/zinc/74/56/69/521745669.db2.gz QLQKCXONWDSHEG-QWRGUYRKSA-N 1 0 282.359 2.400 10 0 CEAERO CCNC(=O)[C@H](C)Oc1cc(F)ccc1[C@@H](C)[NH2+]C ZINC000062746499 521745695 /nfs/dbraw/zinc/74/56/95/521745695.db2.gz LNDARSYSDOQGKP-ZJUUUORDSA-N 1 0 268.332 2.010 10 0 CEAERO C[NH+](C)C[C@@H](NC(=O)c1ccco1)c1ccccc1 ZINC000052554673 521824054 /nfs/dbraw/zinc/82/40/54/521824054.db2.gz UGZILJGDFSQKPG-CYBMUJFWSA-N 1 0 258.321 2.312 10 0 CEAERO CC[C@@H](C(=O)N1[C@H](C)C[NH2+]C[C@@H]1C)c1ccccc1 ZINC000069132832 521829312 /nfs/dbraw/zinc/82/93/12/521829312.db2.gz YQJHKCNZDMCFDB-VNHYZAJKSA-N 1 0 260.381 2.389 10 0 CEAERO COC(=O)c1cc(C[NH2+]C[C@H](C)CSC)oc1C ZINC000069440071 521856531 /nfs/dbraw/zinc/85/65/31/521856531.db2.gz WACAYHKRDGYFBL-VIFPVBQESA-N 1 0 271.382 2.463 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1Cc1ccnc(Cl)c1 ZINC000061644143 521872188 /nfs/dbraw/zinc/87/21/88/521872188.db2.gz BBJCUUDLXRCONQ-GFCCVEGCSA-N 1 0 253.777 2.261 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1c1cc(CO)c2ccccc2n1 ZINC000061652000 521873947 /nfs/dbraw/zinc/87/39/47/521873947.db2.gz WBWOGDZBYNZYRH-CQSZACIVSA-N 1 0 285.391 2.258 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1c1nc2c(s1)[C@H](O)CCC2 ZINC000061655538 521877063 /nfs/dbraw/zinc/87/70/63/521877063.db2.gz FDBRUMFKHKJSQP-ZYHUDNBSSA-N 1 0 281.425 2.043 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000061316208 521936857 /nfs/dbraw/zinc/93/68/57/521936857.db2.gz CWPNQRMABLLCQT-CQSZACIVSA-N 1 0 272.348 2.483 10 0 CEAERO C[NH2+]CC1(CN(C)Cc2cccc(F)c2)CCOCC1 ZINC000052181119 521964684 /nfs/dbraw/zinc/96/46/84/521964684.db2.gz UMPBTZDXUMHHKE-UHFFFAOYSA-N 1 0 280.387 2.274 10 0 CEAERO C[NH2+]CCc1c(C)nc(COc2ccccc2)nc1C ZINC000054837973 522019075 /nfs/dbraw/zinc/01/90/75/522019075.db2.gz XDHCCTHZADSAMM-UHFFFAOYSA-N 1 0 271.364 2.434 10 0 CEAERO C[NH2+]CCc1c(C)nc(Cc2nc(C)cs2)nc1C ZINC000055270050 522020841 /nfs/dbraw/zinc/02/08/41/522020841.db2.gz WFBYBQDAINOCTD-UHFFFAOYSA-N 1 0 276.409 2.211 10 0 CEAERO C[NH2+]C[C@@H](Cc1cnn(C)c1)Cc1ccccc1C ZINC000052978658 522034075 /nfs/dbraw/zinc/03/40/75/522034075.db2.gz KZUXUELGCVYISE-AWEZNQCLSA-N 1 0 257.381 2.349 10 0 CEAERO C[NH2+]C[C@@H]1OCCN(C2CC2)[C@@H]1c1cc(C)cc(C)c1 ZINC000070289542 522061529 /nfs/dbraw/zinc/06/15/29/522061529.db2.gz SLYDERBSNBHSQB-DLBZAZTESA-N 1 0 274.408 2.427 10 0 CEAERO C[NH2+]C[C@H](C(C)C)N1CCN(c2ccccc2OC)CC1 ZINC000052422901 522063438 /nfs/dbraw/zinc/06/34/38/522063438.db2.gz SRZSVUMUQKOFES-MRXNPFEDSA-N 1 0 291.439 2.061 10 0 CEAERO CC[C@H](C)n1ccc(CN2CC[NH2+]C[C@@]2(C)C2CC2)n1 ZINC000068696449 522071153 /nfs/dbraw/zinc/07/11/53/522071153.db2.gz HKLGARSROCQUOL-BBRMVZONSA-N 1 0 276.428 2.428 10 0 CEAERO COC(=O)c1ccc(F)c(NCC2CC[NH+](C)CC2)c1 ZINC000054241141 522072728 /nfs/dbraw/zinc/07/27/28/522072728.db2.gz GKDWRRRFJDDATA-UHFFFAOYSA-N 1 0 280.343 2.366 10 0 CEAERO C[NH2+]Cc1c(C)nc(Cc2csc(C)n2)nc1C ZINC000055296954 522100871 /nfs/dbraw/zinc/10/08/71/522100871.db2.gz OQZPNHKQZHDDCK-UHFFFAOYSA-N 1 0 262.382 2.169 10 0 CEAERO C[NH2+]Cc1cc(C)nc(-c2ccc(OC)c(OC)c2)n1 ZINC000054830856 522104025 /nfs/dbraw/zinc/10/40/25/522104025.db2.gz DFSKWPQCFBDKCC-UHFFFAOYSA-N 1 0 273.336 2.189 10 0 CEAERO C[NH+](C)[C@H]1CCN(c2ccc(C(F)(F)F)cc2N)C1 ZINC000062965526 522104842 /nfs/dbraw/zinc/10/48/42/522104842.db2.gz WBDBBVWLLPEZEM-JTQLQIEISA-N 1 0 273.302 2.428 10 0 CEAERO C[NH2+]Cc1cc(OC)ccc1OCCOC(C)C ZINC000049258927 522114729 /nfs/dbraw/zinc/11/47/29/522114729.db2.gz DFAIVYAWTZENNO-UHFFFAOYSA-N 1 0 253.342 2.218 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(c2nc(C)c([C@@H](C)O)s2)CC1 ZINC000055076405 522136339 /nfs/dbraw/zinc/13/63/39/522136339.db2.gz ZJGFNVOOJVXTII-ZYHUDNBSSA-N 1 0 283.441 2.425 10 0 CEAERO C[NH2+]Cc1ccccc1N(CCO)Cc1ccccc1 ZINC000050515134 522135656 /nfs/dbraw/zinc/13/56/56/522135656.db2.gz SVVBYPWUBXZUMK-UHFFFAOYSA-N 1 0 270.376 2.405 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)Nc1ccc(OC)cc1C ZINC000061568243 522228454 /nfs/dbraw/zinc/22/84/54/522228454.db2.gz UTGSRTHAVCCLLC-LLVKDONJSA-N 1 0 250.342 2.330 10 0 CEAERO COC[C@@H]([NH3+])Cc1cc(F)ccc1Br ZINC000060697105 522311866 /nfs/dbraw/zinc/31/18/66/522311866.db2.gz IZKPBFVVNBLJPM-VIFPVBQESA-N 1 0 262.122 2.104 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(F)cc1OC[C@@H](O)C(F)(F)F ZINC000068877977 522333647 /nfs/dbraw/zinc/33/36/47/522333647.db2.gz FISPPVBKMPFHDI-WRWORJQWSA-N 1 0 281.249 2.408 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(O[C@@H]2CCOC2)c(OC)c1 ZINC000070071599 522334202 /nfs/dbraw/zinc/33/42/02/522334202.db2.gz NWDTWPRJBAWGMY-CMPLNLGQSA-N 1 0 251.326 2.143 10 0 CEAERO C[NH2+][C@@H](C)c1nnc(-c2ccc(OC)c(OC)c2OC)o1 ZINC000050618549 522338938 /nfs/dbraw/zinc/33/89/38/522338938.db2.gz FMNGBYSKCZVIPW-QMMMGPOBSA-N 1 0 293.323 2.043 10 0 CEAERO CC[C@H]([NH3+])[C@@](O)(c1ccc(OC)cc1)C(F)(F)F ZINC000062784387 522342667 /nfs/dbraw/zinc/34/26/67/522342667.db2.gz KTZHAMJYMJZPDP-QWRGUYRKSA-N 1 0 263.259 2.182 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1cnn(C)c1)N1CCC(C)(C)CC1 ZINC000061818333 522346363 /nfs/dbraw/zinc/34/63/63/522346363.db2.gz NRETZMOIWMRXKD-KBPBESRZSA-N 1 0 264.417 2.321 10 0 CEAERO C[NH2+][C@@H](Cc1cccnc1)Cc1cccc(OC)c1 ZINC000060707818 522361260 /nfs/dbraw/zinc/36/12/60/522361260.db2.gz WBNSMAAXZLPTHV-OAHLLOKOSA-N 1 0 256.349 2.463 10 0 CEAERO C[NH2+][C@@H](c1cc(OC)c(OC)cc1F)[C@@H]1CCCO1 ZINC000061561239 522368375 /nfs/dbraw/zinc/36/83/75/522368375.db2.gz QKXZIAYNKBKGKA-FZMZJTMJSA-N 1 0 269.316 2.282 10 0 CEAERO C[NH2+][C@@H](c1ccc(OC)c(OC)c1)c1ccccn1 ZINC000055222919 522370004 /nfs/dbraw/zinc/37/00/04/522370004.db2.gz ITYYKRNOGCYMEZ-HNNXBMFYSA-N 1 0 258.321 2.408 10 0 CEAERO CCc1nc(N(C)CC(F)(F)F)sc1C[NH3+] ZINC000054998057 522379088 /nfs/dbraw/zinc/37/90/88/522379088.db2.gz RMEUUMRPJQSVFC-UHFFFAOYSA-N 1 0 253.293 2.163 10 0 CEAERO C[NH2+][C@@H]1CCCc2cc(OCCC(=O)OC)ccc21 ZINC000069317383 522391224 /nfs/dbraw/zinc/39/12/24/522391224.db2.gz RZSUITRUIYENSO-CQSZACIVSA-N 1 0 263.337 2.225 10 0 CEAERO CN[C@@](C)(C[C@H](C)[NH+]1CCC2(CCCCC2)CC1)C(N)=O ZINC000068643079 522418736 /nfs/dbraw/zinc/41/87/36/522418736.db2.gz PKIQXHYGGUDIGF-HOCLYGCPSA-N 1 0 295.471 2.275 10 0 CEAERO C[NH2+][C@H](C)C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000052395774 522437304 /nfs/dbraw/zinc/43/73/04/522437304.db2.gz YELWSYZFQKTWDN-JDDJGOSBSA-N 1 0 264.413 2.315 10 0 CEAERO C[NH2+][C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1C ZINC000052395829 522438973 /nfs/dbraw/zinc/43/89/73/522438973.db2.gz UKFXIZLTYOFSJF-GFCCVEGCSA-N 1 0 261.369 2.142 10 0 CEAERO COc1cc(C[NH2+]CC(C)C)ccc1OC[C@H](C)O ZINC000062731862 522444056 /nfs/dbraw/zinc/44/40/56/522444056.db2.gz NNFPBZPBGOZKKA-LBPRGKRZSA-N 1 0 267.369 2.200 10 0 CEAERO C[NH2+][C@H](C)c1ccc(F)cc1O[C@@H]1CCC[C@@H]1O ZINC000062746343 522446921 /nfs/dbraw/zinc/44/69/21/522446921.db2.gz BTPZVXMOAITPIT-JIMOISOXSA-N 1 0 253.317 2.398 10 0 CEAERO C[NH2+][C@H](C)c1cnc(N(C)CC(F)(F)F)s1 ZINC000054905082 522454037 /nfs/dbraw/zinc/45/40/37/522454037.db2.gz BNHAOFMSIHADAU-ZCFIWIBFSA-N 1 0 253.293 2.422 10 0 CEAERO C[NH2+][C@H](CN1C(=O)[C@@H]2C[C@@H]2C1=O)c1ccc(C(C)C)cc1 ZINC000068689302 522466963 /nfs/dbraw/zinc/46/69/63/522466963.db2.gz MHCPATUPRJQZLR-QLFBSQMISA-N 1 0 286.375 2.075 10 0 CEAERO C[NH2+][C@H](c1cc(OC)c(OC)cc1F)[C@@H]1CCCO1 ZINC000061561241 522476721 /nfs/dbraw/zinc/47/67/21/522476721.db2.gz QKXZIAYNKBKGKA-SMDDNHRTSA-N 1 0 269.316 2.282 10 0 CEAERO C[NH2+][C@H](c1ccc(Br)s1)[C@@H]1COCCO1 ZINC000055301040 522479596 /nfs/dbraw/zinc/47/95/96/522479596.db2.gz WOVVRBLFDOLCEF-XVKPBYJWSA-N 1 0 292.198 2.187 10 0 CEAERO C[NH2+][C@H](c1ccc2c(c1)CCC(=O)N2C)C1CCOCC1 ZINC000062806526 522482028 /nfs/dbraw/zinc/48/20/28/522482028.db2.gz VXRONVBKMUWXMV-KRWDZBQOSA-N 1 0 288.391 2.283 10 0 CEAERO C[NH2+][C@H](c1ccc2c(c1)CCC(=O)N2)[C@H]1CCCCO1 ZINC000050961526 522482622 /nfs/dbraw/zinc/48/26/22/522482622.db2.gz VRWQWOAZMHIHCM-GDBMZVCRSA-N 1 0 274.364 2.401 10 0 CEAERO CCc1[nH+]c2cc(N)ccc2n1CCC(=O)N[C@H](C)CC ZINC000052855203 522486300 /nfs/dbraw/zinc/48/63/00/522486300.db2.gz UZQMCAJCXNJZFB-LLVKDONJSA-N 1 0 288.395 2.486 10 0 CEAERO C[NH2+][C@H]1CCCc2nc(N(CCOC)C3CC3)sc21 ZINC000054907908 522499328 /nfs/dbraw/zinc/49/93/28/522499328.db2.gz GIBTZWINGZFGSI-NSHDSACASA-N 1 0 281.425 2.355 10 0 CEAERO C[NH2+][C@H]1CCc2c1cccc2OCc1nnc(C)o1 ZINC000062799056 522506021 /nfs/dbraw/zinc/50/60/21/522506021.db2.gz YWVPHTAUQUDJBL-LBPRGKRZSA-N 1 0 259.309 2.164 10 0 CEAERO C[NH2+][C@](C)(C[C@@H](C)Oc1ccc2ccccc2c1)C(N)=O ZINC000068656939 522519744 /nfs/dbraw/zinc/51/97/44/522519744.db2.gz ZTIGISFGFIGBRH-SJKOYZFVSA-N 1 0 286.375 2.461 10 0 CEAERO CNc1ccc(C(=O)N[C@@H](C[NH+](C)C)C(C)C)cc1 ZINC000050779753 522593802 /nfs/dbraw/zinc/59/38/02/522593802.db2.gz BDWRXWGTTVWCOR-AWEZNQCLSA-N 1 0 263.385 2.044 10 0 CEAERO CNc1ccc(C)cc1C(=O)N1CC[NH+](C(C)C)CC1 ZINC000053001538 522601328 /nfs/dbraw/zinc/60/13/28/522601328.db2.gz OTELMFAYTAMTFH-UHFFFAOYSA-N 1 0 275.396 2.203 10 0 CEAERO CNc1ccc(C)cc1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000053000378 522601786 /nfs/dbraw/zinc/60/17/86/522601786.db2.gz SIYPVIDBPSYLJT-UHFFFAOYSA-N 1 0 275.396 2.203 10 0 CEAERO CC[C@@H]([NH3+])Cc1cccc(OC)c1OCc1nonc1C ZINC000070269285 522643194 /nfs/dbraw/zinc/64/31/94/522643194.db2.gz IAZYOBHSXBMMEU-GFCCVEGCSA-N 1 0 291.351 2.245 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc(C)c(O[C@@H](CC)C(N)=O)c(C)c1 ZINC000061678340 522643668 /nfs/dbraw/zinc/64/36/68/522643668.db2.gz YAQHXWZNENLPLI-KGLIPLIRSA-N 1 0 278.396 2.226 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccnc(Cc2cccc(F)c2)n1 ZINC000054834984 522645144 /nfs/dbraw/zinc/64/51/44/522645144.db2.gz VCLWLNZYAXZVHY-CYBMUJFWSA-N 1 0 259.328 2.486 10 0 CEAERO CC[C@@H]([NH3+])Cc1nccn1Cc1ccc(F)cc1F ZINC000062803134 522647576 /nfs/dbraw/zinc/64/75/76/522647576.db2.gz GHCWZMROJVIEJE-GFCCVEGCSA-N 1 0 265.307 2.489 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1cnn(C)c1)N(C)C(C)(C)CC ZINC000069427662 522651938 /nfs/dbraw/zinc/65/19/38/522651938.db2.gz NFVVVTMFJNCBAO-CHWSQXEVSA-N 1 0 252.406 2.319 10 0 CEAERO CC[C@@H]([NH3+])c1c(C)nn(C[C@@H]2CCCCO2)c1C ZINC000054716666 522656356 /nfs/dbraw/zinc/65/63/56/522656356.db2.gz YTUCBFDVIQREFX-QWHCGFSZSA-N 1 0 251.374 2.479 10 0 CEAERO COC1CCN([C@@H](C[NH3+])CCc2ccccc2)CC1 ZINC000061624605 522707393 /nfs/dbraw/zinc/70/73/93/522707393.db2.gz YRVFJWLJLQGQKX-OAHLLOKOSA-N 1 0 262.397 2.057 10 0 CEAERO COC1CCN([C@@H](C[NH3+])c2ccc3ncccc3c2)CC1 ZINC000069502435 522707833 /nfs/dbraw/zinc/70/78/33/522707833.db2.gz ICLVUJBVYASGMS-KRWDZBQOSA-N 1 0 285.391 2.345 10 0 CEAERO CN(CC[NH3+])C(=O)c1cc2cccc(Br)c2o1 ZINC000054417383 522820221 /nfs/dbraw/zinc/82/02/21/522820221.db2.gz WKUUJVLKYWLXKQ-UHFFFAOYSA-N 1 0 297.152 2.226 10 0 CEAERO COc1cc(OC)c([C@@H](O)[C@@H]([NH3+])CC(C)C)cc1OC ZINC000054929587 522829501 /nfs/dbraw/zinc/82/95/01/522829501.db2.gz IQGXLCMWGTVKOU-XHDPSFHLSA-N 1 0 283.368 2.119 10 0 CEAERO COc1cc(OC)cc(O[C@@H](C[NH3+])C(C)(C)C)c1 ZINC000068781961 522874554 /nfs/dbraw/zinc/87/45/54/522874554.db2.gz RGFKIJSFYFVDJI-ZDUSSCGKSA-N 1 0 253.342 2.456 10 0 CEAERO COc1cc(OC)cc(O[C@@H](C[NH3+])c2ccco2)c1 ZINC000068793461 522874709 /nfs/dbraw/zinc/87/47/09/522874709.db2.gz QGFOCMYPJMIVPH-AWEZNQCLSA-N 1 0 263.293 2.376 10 0 CEAERO COc1cc(OC)cc([C@@H](O)[C@H]([NH3+])c2ccccc2)c1 ZINC000054681818 522877222 /nfs/dbraw/zinc/87/72/22/522877222.db2.gz AVBZXLDRMBRELQ-HZPDHXFCSA-N 1 0 273.332 2.437 10 0 CEAERO CCc1noc(COc2cccc3c2CC[C@@H]3[NH3+])n1 ZINC000062798446 522899348 /nfs/dbraw/zinc/89/93/48/522899348.db2.gz WESZTTZETXDCLU-NSHDSACASA-N 1 0 259.309 2.157 10 0 CEAERO CC[C@@H]([NH2+][C@@H]1CC(=O)N(C2CCCC2)C1=O)C(C)C ZINC000049128551 522921169 /nfs/dbraw/zinc/92/11/69/522921169.db2.gz QSQSPRNKPGRKMC-CHWSQXEVSA-N 1 0 266.385 2.081 10 0 CEAERO CC[C@@H]([NH2+][C@H]1CCCS(=O)(=O)C1)c1ccc(O)cc1 ZINC000069143106 522947925 /nfs/dbraw/zinc/94/79/25/522947925.db2.gz RSLNJTSWMFKNQP-GXTWGEPZSA-N 1 0 283.393 2.010 10 0 CEAERO CN(CCc1ccccn1)C(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050940796 522960386 /nfs/dbraw/zinc/96/03/86/522960386.db2.gz HQYWJSATMFNNCW-AWEZNQCLSA-N 1 0 275.396 2.005 10 0 CEAERO CN(CCc1ccncc1)C(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050945425 522974685 /nfs/dbraw/zinc/97/46/85/522974685.db2.gz MQXQGZCUJLZDQH-OAHLLOKOSA-N 1 0 275.396 2.005 10 0 CEAERO COCc1cccc(C[NH2+]C[C@@H]2CCCCN2C)c1 ZINC000054243288 523053715 /nfs/dbraw/zinc/05/37/15/523053715.db2.gz LQDHMBNYLCRXOE-INIZCTEOSA-N 1 0 262.397 2.407 10 0 CEAERO CN(C[C@@H]1CCCO1)c1cc(C(N)=[NH2+])c2ccccc2n1 ZINC000068797874 523056084 /nfs/dbraw/zinc/05/60/84/523056084.db2.gz VYRDVMKCPWTZKS-NSHDSACASA-N 1 0 284.363 2.134 10 0 CEAERO COc1cc2[nH+]c3c(c(N)c2c(OC)c1OC)CCC3 ZINC000050870616 523066235 /nfs/dbraw/zinc/06/62/35/523066235.db2.gz BKFJNVWJSRQYJQ-UHFFFAOYSA-N 1 0 274.320 2.332 10 0 CEAERO COC(=O)CCOc1c(C[NH2+]C(C)C)cccc1OC ZINC000069317162 523102967 /nfs/dbraw/zinc/10/29/67/523102967.db2.gz HSMSVNVZLVRGOI-UHFFFAOYSA-N 1 0 281.352 2.135 10 0 CEAERO CC[C@@H]1CCCC[N@@H+]1C[C@](NC1CC1)(C(=O)OC)C1CC1 ZINC000069097230 523178562 /nfs/dbraw/zinc/17/85/62/523178562.db2.gz CHVHSTDIAQROOI-NVXWUHKLSA-N 1 0 294.439 2.325 10 0 CEAERO COc1ccc(-c2nc(C3CC[NH2+]CC3)no2)c(OC)c1 ZINC000062253649 523195311 /nfs/dbraw/zinc/19/53/11/523195311.db2.gz VCMDEEHIPZDFCQ-UHFFFAOYSA-N 1 0 289.335 2.221 10 0 CEAERO CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1C[NH3+] ZINC000049120931 523198009 /nfs/dbraw/zinc/19/80/09/523198009.db2.gz VGETWBHGNVPSIQ-OCCSQVGLSA-N 1 0 296.436 2.392 10 0 CEAERO COCCCN(C)[C@@H](C[NH3+])c1cc2ccccc2o1 ZINC000068811973 523232015 /nfs/dbraw/zinc/23/20/15/523232015.db2.gz BMPXWVDGEHRMHM-ZDUSSCGKSA-N 1 0 262.353 2.401 10 0 CEAERO CC[C@@H]1CCC[N@H+](Cc2cccnc2C(N)=S)C1 ZINC000061659752 523252819 /nfs/dbraw/zinc/25/28/19/523252819.db2.gz DPJFGDVNLGAQCB-LLVKDONJSA-N 1 0 263.410 2.338 10 0 CEAERO CN(Cc1ccc(F)cc1)Cc1cccnc1C[NH3+] ZINC000061656588 523252850 /nfs/dbraw/zinc/25/28/50/523252850.db2.gz ZKCFYVHEIGRWNI-UHFFFAOYSA-N 1 0 259.328 2.311 10 0 CEAERO CN(Cc1cccc(C[NH3+])c1)c1ncnc2c1CCC2 ZINC000061276285 523299589 /nfs/dbraw/zinc/29/95/89/523299589.db2.gz STZMNKRKGFZAFF-UHFFFAOYSA-N 1 0 268.364 2.060 10 0 CEAERO CO[C@@H](C(=O)Nc1ccc(C[NH3+])cc1)c1ccccc1 ZINC000050436849 523332321 /nfs/dbraw/zinc/33/23/21/523332321.db2.gz KZZVTMLMCLCIOK-OAHLLOKOSA-N 1 0 270.332 2.472 10 0 CEAERO CC[C@H]1CO[C@@H](C)CN1c1ccccc1C[NH2+]CCOC ZINC000062736916 523346102 /nfs/dbraw/zinc/34/61/02/523346102.db2.gz NELZEVQCTAYROB-HOCLYGCPSA-N 1 0 292.423 2.426 10 0 CEAERO CCn1cc(CN2CC[NH2+]C[C@@]2(C)c2ccccc2)cn1 ZINC000068696595 523376152 /nfs/dbraw/zinc/37/61/52/523376152.db2.gz IWKOTYRRJOLNOU-KRWDZBQOSA-N 1 0 284.407 2.224 10 0 CEAERO CCn1cc(C[C@@H](C[NH3+])Cc2ccc(F)cc2)cn1 ZINC000052947522 523392290 /nfs/dbraw/zinc/39/22/90/523392290.db2.gz ZSISMSLFOHOYIQ-ZDUSSCGKSA-N 1 0 261.344 2.402 10 0 CEAERO CCn1cc(C[C@H](C[NH2+]CCOC)CC(C)C)cn1 ZINC000054662241 523396021 /nfs/dbraw/zinc/39/60/21/523396021.db2.gz VSACSFUFRBROAH-CQSZACIVSA-N 1 0 267.417 2.344 10 0 CEAERO CC[C@@H]1CN([C@@H](C)C[NH2+]Cc2cccs2)CCO1 ZINC000053491093 523464050 /nfs/dbraw/zinc/46/40/50/523464050.db2.gz GCGAUUXJRYMYHN-QWHCGFSZSA-N 1 0 268.426 2.337 10 0 CEAERO CN(Cc1ccoc1)C(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050950920 523467195 /nfs/dbraw/zinc/46/71/95/523467195.db2.gz LFHVRHSOVNYZHR-ZDUSSCGKSA-N 1 0 250.342 2.160 10 0 CEAERO CC[C@@H]1C[N@@H+]([C@@H]2C[C@H](C(C)C)CC[C@@H]2O)CCO1 ZINC000054558253 523467422 /nfs/dbraw/zinc/46/74/22/523467422.db2.gz NECOGBMYIPXBOV-TUVASFSCSA-N 1 0 255.402 2.283 10 0 CEAERO CC[C@@H]1CN(c2nc(C)c(C[NH2+]C3CC3)s2)CCO1 ZINC000054997392 523472328 /nfs/dbraw/zinc/47/23/28/523472328.db2.gz BZOGZOYDYOVOCY-GFCCVEGCSA-N 1 0 281.425 2.319 10 0 CEAERO CC[C@@H]1COCCN1c1ncc(C[NH2+]C(C)C)s1 ZINC000054904669 523504323 /nfs/dbraw/zinc/50/43/23/523504323.db2.gz XYLGURBTRZFZGO-LLVKDONJSA-N 1 0 269.414 2.256 10 0 CEAERO CC[C@@H]1CO[C@@H](C)CN1c1nc(C)c(C[NH2+]C)s1 ZINC000055001394 523510143 /nfs/dbraw/zinc/51/01/43/523510143.db2.gz UXPOLAFODZCEDP-GXSJLCMTSA-N 1 0 269.414 2.175 10 0 CEAERO CC[C@]1(C(=O)N(Cc2cccc(O)c2)C2CC2)CC[NH2+]C1 ZINC000062896299 523533550 /nfs/dbraw/zinc/53/35/50/523533550.db2.gz XJAUDRSHISCSDG-KRWDZBQOSA-N 1 0 288.391 2.273 10 0 CEAERO CC[C@]1(C(=O)N[C@@H](C)c2ccccc2OC)CC[NH2+]C1 ZINC000062900357 523541350 /nfs/dbraw/zinc/54/13/50/523541350.db2.gz IEWHNMBJXQQDRZ-LRDDRELGSA-N 1 0 276.380 2.262 10 0 CEAERO COC(=O)[C@@H](CC[N@H+](CC(C)C)C1CC1)NC(C)C ZINC000062461289 523572093 /nfs/dbraw/zinc/57/20/93/523572093.db2.gz MTQZTDNJCSBHJU-CQSZACIVSA-N 1 0 270.417 2.037 10 0 CEAERO CC[C@]1(C)CN(Cc2ccc(OC)c(OC)c2)CC[NH2+]1 ZINC000068693120 523577695 /nfs/dbraw/zinc/57/76/95/523577695.db2.gz AKZBVIUCGIEVSQ-MRXNPFEDSA-N 1 0 278.396 2.278 10 0 CEAERO COCCN(C)CCNC1=[NH+][C@@]2(CS1)CCC[C@@H](C)C2 ZINC000061380060 523600974 /nfs/dbraw/zinc/60/09/74/523600974.db2.gz PKDDFLZEWSHGSS-HIFRSBDPSA-N 1 0 299.484 2.206 10 0 CEAERO CO[C@@H]1CCC[C@@H](OCCOc2cccc(C[NH3+])c2)C1 ZINC000070323735 523619491 /nfs/dbraw/zinc/61/94/91/523619491.db2.gz UDQIEEALIUXDJU-GDBMZVCRSA-N 1 0 279.380 2.498 10 0 CEAERO COC(=O)[C@@H](N[C@H](C)[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000050507067 523640452 /nfs/dbraw/zinc/64/04/52/523640452.db2.gz HABQZYSELROXQJ-BMFZPTHFSA-N 1 0 290.407 2.221 10 0 CEAERO CCc1c(C)nn(C[C@@H]2CC[C@H](C[NH2+]C3CC3)O2)c1C ZINC000052592194 523715016 /nfs/dbraw/zinc/71/50/16/523715016.db2.gz ARASJYSOMWGFAG-CABCVRRESA-N 1 0 277.412 2.362 10 0 CEAERO COCC[N@H+](Cc1cc2ccccc2nc1N)C1CC1 ZINC000050816132 523741970 /nfs/dbraw/zinc/74/19/70/523741970.db2.gz WKORPJDKSLQCTM-UHFFFAOYSA-N 1 0 271.364 2.428 10 0 CEAERO COCCN([C@@H](C)C[NH2+]CC(C)C)[C@@H](C)C1CC1 ZINC000052545288 523780805 /nfs/dbraw/zinc/78/08/05/523780805.db2.gz FDNFRTSKFOKIFJ-KBPBESRZSA-N 1 0 256.434 2.367 10 0 CEAERO COCCN(c1nc2c(s1)[C@H]([NH3+])CCC2)C1CC1 ZINC000054897544 523784098 /nfs/dbraw/zinc/78/40/98/523784098.db2.gz BRAYVEUZLWHDJU-SNVBAGLBSA-N 1 0 267.398 2.094 10 0 CEAERO 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Cc1ccc(CCCC(=O)N2CCC[C@H]([NH3+])C2)s1 ZINC000158506182 524307611 /nfs/dbraw/zinc/30/76/11/524307611.db2.gz QBSRAITTYPGMTE-LBPRGKRZSA-N 1 0 266.410 2.329 10 0 CEAERO C[C@H](C[NH3+])CN(C)C(=O)[C@@H]1CCCc2ccccc21 ZINC000054668371 524308258 /nfs/dbraw/zinc/30/82/58/524308258.db2.gz ZBWOBVPNPIDGQP-IUODEOHRSA-N 1 0 260.381 2.160 10 0 CEAERO C[C@H](C[NH+]1CCCC1)NC(=O)c1ccc(N)cc1Cl ZINC000049149114 524316235 /nfs/dbraw/zinc/31/62/35/524316235.db2.gz NSJHGEPWSGBZRV-SNVBAGLBSA-N 1 0 281.787 2.136 10 0 CEAERO C[C@@H]1CCC[C@@H](S(=O)(=O)C2CCC([NH3+])CC2)C1 ZINC000055143944 524317452 /nfs/dbraw/zinc/31/74/52/524317452.db2.gz OYXNLMCITQPKIA-IKWCTNDRSA-N 1 0 259.415 2.250 10 0 CEAERO C[C@H](C[NH+]1CCCC1)NCc1cc2ccccc2[nH]c1=O ZINC000049149981 524317587 /nfs/dbraw/zinc/31/75/87/524317587.db2.gz GUEFBNFLXZDCCX-CYBMUJFWSA-N 1 0 285.391 2.102 10 0 CEAERO C[C@@H](CC(N)=[NH2+])Sc1nnc(C2CC2)n1C1CC1 ZINC000048251185 524341211 /nfs/dbraw/zinc/34/12/11/524341211.db2.gz PVOSNNVZDLYCJK-ZETCQYMHSA-N 1 0 265.386 2.297 10 0 CEAERO COc1ccccc1C(=O)N1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000051358704 524341699 /nfs/dbraw/zinc/34/16/99/524341699.db2.gz WIRHZEKRULPMCJ-ZIAGYGMSSA-N 1 0 274.364 2.052 10 0 CEAERO Cc1cccc(CC(=O)NC[C@@H]2CCC[C@H](C)[NH2+]2)c1 ZINC000052127778 524341728 /nfs/dbraw/zinc/34/17/28/524341728.db2.gz PTZPNANJZCHQKJ-ZFWWWQNUSA-N 1 0 260.381 2.184 10 0 CEAERO Cc1ccc(CN(C(=O)C2(C)CC[NH2+]CC2)C2CC2)o1 ZINC000062840701 524352992 /nfs/dbraw/zinc/35/29/92/524352992.db2.gz YMTVRTRRNYULQL-UHFFFAOYSA-N 1 0 276.380 2.469 10 0 CEAERO COc1ccccc1CN(C)Cc1occc1C[NH3+] ZINC000052542259 524437600 /nfs/dbraw/zinc/43/76/00/524437600.db2.gz TUAVVXCLFODOIB-UHFFFAOYSA-N 1 0 260.337 2.379 10 0 CEAERO Cc1cc(C)cc(S(=O)(=O)N2C[C@H](C[NH3+])CC[C@@H]2C)c1 ZINC000070181407 524456654 /nfs/dbraw/zinc/45/66/54/524456654.db2.gz JLYRUGSIDVKDLJ-KBPBESRZSA-N 1 0 296.436 2.051 10 0 CEAERO Cc1cc(C)n(-c2c(C[NH2+]C(C)(C)C)c(C)nn2C)n1 ZINC000062738576 524476495 /nfs/dbraw/zinc/47/64/95/524476495.db2.gz QZRBIRNJWGPEGA-UHFFFAOYSA-N 1 0 275.400 2.419 10 0 CEAERO C[C@@H](CC[NH3+])N(C)C(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000063085855 524481855 /nfs/dbraw/zinc/48/18/55/524481855.db2.gz AXLXVRLFQHJYOT-JTQLQIEISA-N 1 0 288.313 2.444 10 0 CEAERO C[C@@H](CC[NH2+]C(C)(C)C)N1CCN(c2nccs2)CC1 ZINC000052417725 524498850 /nfs/dbraw/zinc/49/88/50/524498850.db2.gz IMNGXCFPXWNUFH-ZDUSSCGKSA-N 1 0 296.484 2.432 10 0 CEAERO C[C@H](CNc1cc(Cl)ccc1C(N)=S)[NH+](C)C ZINC000062788464 524505137 /nfs/dbraw/zinc/50/51/37/524505137.db2.gz HHAUETOLDCWKHH-MRVPVSSYSA-N 1 0 271.817 2.336 10 0 CEAERO Cc1cc(C)n(C[C@@H]2CC[C@@H](C[NH2+]C(C)(C)C)O2)n1 ZINC000052575930 524533121 /nfs/dbraw/zinc/53/31/21/524533121.db2.gz MHPAENSCTCWDAG-KBPBESRZSA-N 1 0 265.401 2.436 10 0 CEAERO Cc1ccc(CNC(=O)[C@H](C[NH3+])c2ccccc2)cc1 ZINC000061610907 524548210 /nfs/dbraw/zinc/54/82/10/524548210.db2.gz GSUSZWRYVZKIKU-MRXNPFEDSA-N 1 0 268.360 2.354 10 0 CEAERO Cc1cc(C)nc(NCc2ccc(CC[NH3+])cc2)n1 ZINC000052899358 524589787 /nfs/dbraw/zinc/58/97/87/524589787.db2.gz NIDSNLNDNOMRRN-UHFFFAOYSA-N 1 0 256.353 2.207 10 0 CEAERO C[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc(Cl)c(N)c1 ZINC000049149105 524589965 /nfs/dbraw/zinc/58/99/65/524589965.db2.gz KNIKPIBCPVPGKA-JTQLQIEISA-N 1 0 281.787 2.136 10 0 CEAERO C[C@@H]1CC[C@@H](C[NH3+])CN1c1ncnc2ccccc21 ZINC000053704603 524590465 /nfs/dbraw/zinc/59/04/65/524590465.db2.gz OADGPSKDPLQWOX-NEPJUHHUSA-N 1 0 256.353 2.193 10 0 CEAERO C[C@H](COc1ccccc1C[NH2+]C(C)(C)C)C(N)=O ZINC000062729245 524597256 /nfs/dbraw/zinc/59/72/56/524597256.db2.gz KKFPYEWLMQHGSS-LLVKDONJSA-N 1 0 264.369 2.075 10 0 CEAERO COc1ccc(NC(=O)[C@@]2(C)CCC[NH2+]C2)cc1C ZINC000062859989 524602699 /nfs/dbraw/zinc/60/26/99/524602699.db2.gz WAKXZYIKXJDGSX-HNNXBMFYSA-N 1 0 262.353 2.332 10 0 CEAERO Cc1cccc(NC(=O)Cn2ccnc2C[NH2+]C(C)C)c1 ZINC000051005660 524610843 /nfs/dbraw/zinc/61/08/43/524610843.db2.gz YDLICRDZRINBTP-UHFFFAOYSA-N 1 0 286.379 2.328 10 0 CEAERO C[C@H]1CN(Cc2ncccn2)[C@@](C)(c2ccccc2)C[NH2+]1 ZINC000068699129 524652633 /nfs/dbraw/zinc/65/26/33/524652633.db2.gz IPFHRGTYKOXNFX-WMLDXEAASA-N 1 0 282.391 2.186 10 0 CEAERO Cc1cccc(O[C@H](C)C[C@](C)([NH2+]C(C)C)C(N)=O)c1 ZINC000068656271 524782333 /nfs/dbraw/zinc/78/23/33/524782333.db2.gz KEMNMKAZSNHBRD-CJNGLKHVSA-N 1 0 278.396 2.394 10 0 CEAERO Cc1cccc(SCC[C@@H]([NH2+]C2CC2)C(N)=O)c1 ZINC000062601500 524808804 /nfs/dbraw/zinc/80/88/04/524808804.db2.gz CGXDXILAHISFLY-CYBMUJFWSA-N 1 0 264.394 2.083 10 0 CEAERO C[C@H]([NH3+])[C@H](N(CCO)Cc1ccccc1)C(C)(C)C ZINC000050514055 524851879 /nfs/dbraw/zinc/85/18/79/524851879.db2.gz ICXKGIAZPOIDDM-ZFWWWQNUSA-N 1 0 264.413 2.243 10 0 CEAERO C[C@H]([NH3+])c1cc(Cl)ccc1OCCC(=O)N(C)C ZINC000050209440 524861068 /nfs/dbraw/zinc/86/10/68/524861068.db2.gz IYEODRABFGLVLJ-VIFPVBQESA-N 1 0 270.760 2.217 10 0 CEAERO Cc1cccc([C@H](C)[NH2+][C@H]2CCCS(=O)(=O)C2)c1 ZINC000069140684 524878184 /nfs/dbraw/zinc/87/81/84/524878184.db2.gz QOWHXRCMOXUBCR-JSGCOSHPSA-N 1 0 267.394 2.223 10 0 CEAERO Cc1ccc(N(C)S(=O)(=O)C[C@H]2CCCC[NH2+]2)c(C)c1 ZINC000049974657 524887803 /nfs/dbraw/zinc/88/78/03/524887803.db2.gz MBFHVEKGBAGYQK-CQSZACIVSA-N 1 0 296.436 2.212 10 0 CEAERO Cc1ccc(N(C)S(=O)(=O)CC2CC[NH2+]CC2)c(C)c1 ZINC000049974643 524887916 /nfs/dbraw/zinc/88/79/16/524887916.db2.gz IBYWLNSYUXJXGB-UHFFFAOYSA-N 1 0 296.436 2.069 10 0 CEAERO Cc1cc(Cl)ccc1NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000163858098 524897684 /nfs/dbraw/zinc/89/76/84/524897684.db2.gz FYUIFSXONAHUML-SECBINFHSA-N 1 0 252.745 2.442 10 0 CEAERO COc1ccc(OCC(=O)N(C)C)c(C[NH2+]C(C)(C)C)c1 ZINC000062727512 524927889 /nfs/dbraw/zinc/92/78/89/524927889.db2.gz BLSHIFJGEQFRTC-UHFFFAOYSA-N 1 0 294.395 2.050 10 0 CEAERO C[C@H](NC(=O)C[NH2+]C1CCCC1)c1ccsc1 ZINC000061366459 524963562 /nfs/dbraw/zinc/96/35/62/524963562.db2.gz XHJJZKMEHKMKSR-JTQLQIEISA-N 1 0 252.383 2.458 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccccc1F)N1CCCO[C@@H](C)C1 ZINC000061913460 525016457 /nfs/dbraw/zinc/01/64/57/525016457.db2.gz SFVZHJVMXOXQNS-YWPYICTPSA-N 1 0 266.360 2.325 10 0 CEAERO C[C@@H]([NH3+])[C@](O)(c1cccc2cnccc21)C(F)(F)F ZINC000062784598 525023965 /nfs/dbraw/zinc/02/39/65/525023965.db2.gz LQBHTGZMWGYXDA-PELKAZGASA-N 1 0 270.254 2.332 10 0 CEAERO C[C@@H]([NH3+])[C@](O)(c1cccc(Cl)c1)C(F)(F)F ZINC000062784812 525023995 /nfs/dbraw/zinc/02/39/95/525023995.db2.gz HOGQIPOGHPFVLM-MUWHJKNJSA-N 1 0 253.651 2.437 10 0 CEAERO COc1ncccc1-c1nnc(CCC[NH2+]C(C)(C)C)o1 ZINC000061446904 525031560 /nfs/dbraw/zinc/03/15/60/525031560.db2.gz MVJCIIAEFHGEGL-UHFFFAOYSA-N 1 0 290.367 2.461 10 0 CEAERO C[C@@H]1CN(Cc2oc3ccccc3c2C[NH3+])CCO1 ZINC000052382566 525039600 /nfs/dbraw/zinc/03/96/00/525039600.db2.gz RNTIQMRIHKVWFS-LLVKDONJSA-N 1 0 260.337 2.112 10 0 CEAERO C[C@@H]1CN([C@@H](C[NH3+])c2cccc3cccnc32)CCCO1 ZINC000069502774 525055365 /nfs/dbraw/zinc/05/53/65/525055365.db2.gz HUKPADJOLQIHEY-CJNGLKHVSA-N 1 0 285.391 2.345 10 0 CEAERO C[C@@H]1CN(c2ccc(C(N)=[NH2+])cc2Cl)C[C@H](C)O1 ZINC000062793903 525063807 /nfs/dbraw/zinc/06/38/07/525063807.db2.gz VIGYQDYCDYDMLB-DTORHVGOSA-N 1 0 267.760 2.238 10 0 CEAERO Cc1ccc(NC(=O)CSCCC[NH3+])cc1C ZINC000058250108 525075175 /nfs/dbraw/zinc/07/51/75/525075175.db2.gz ZHPLGQDHJOOLLK-UHFFFAOYSA-N 1 0 252.383 2.324 10 0 CEAERO COc1ncccc1[C@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000061443154 525076116 /nfs/dbraw/zinc/07/61/16/525076116.db2.gz RXXHQLYJKXEXFV-OAHLLOKOSA-N 1 0 286.331 2.300 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C)N1Cc1ccc(Br)o1 ZINC000068915052 525097502 /nfs/dbraw/zinc/09/75/02/525097502.db2.gz GDFBWEFJZOTIHC-RKDXNWHRSA-N 1 0 273.174 2.224 10 0 CEAERO C[C@@H]1COCCN1Cc1cc(C[NH2+]C(C)(C)C)co1 ZINC000052475986 525128064 /nfs/dbraw/zinc/12/80/64/525128064.db2.gz KCACZDWFYURFSH-GFCCVEGCSA-N 1 0 266.385 2.388 10 0 CEAERO C[C@H]1c2ccsc2CCN1Cc1cc(C[NH3+])no1 ZINC000052505471 525133071 /nfs/dbraw/zinc/13/30/71/525133071.db2.gz YDDYNEXSDBQCHT-VIFPVBQESA-N 1 0 263.366 2.314 10 0 CEAERO C[C@]([NH3+])(C(=O)Nc1ccc(O)cc1)c1ccccc1 ZINC000052881933 525146836 /nfs/dbraw/zinc/14/68/36/525146836.db2.gz HPZFUVDNAUEMTK-OAHLLOKOSA-N 1 0 256.305 2.205 10 0 CEAERO C[C@H](NC(=O)[C@]1(C)CCC[NH2+]C1)c1ccsc1 ZINC000062861302 525189642 /nfs/dbraw/zinc/18/96/42/525189642.db2.gz GOERZLXXDBSTEG-GXFFZTMASA-N 1 0 252.383 2.315 10 0 CEAERO Cc1ccccc1OCCCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000155474118 525292378 /nfs/dbraw/zinc/29/23/78/525292378.db2.gz WWTRQCFCXKXYMN-KBPBESRZSA-N 1 0 276.380 2.008 10 0 CEAERO Cc1cc(N[C@H](C)C[NH+]2CCCC2)nc(Cl)n1 ZINC000052814618 525300660 /nfs/dbraw/zinc/30/06/60/525300660.db2.gz JHIRNNRVTQACJH-SNVBAGLBSA-N 1 0 254.765 2.335 10 0 CEAERO C[C@@H](NC(=O)[C@](C)([NH3+])c1ccccc1)c1ccncc1 ZINC000052881558 525301618 /nfs/dbraw/zinc/30/16/18/525301618.db2.gz ISOSNFNCEBXWFJ-MLGOLLRUSA-N 1 0 269.348 2.133 10 0 CEAERO C[C@H]([NH2+]CC(=O)Nc1cc(F)ccc1F)[C@H]1CCCO1 ZINC000183089805 525308442 /nfs/dbraw/zinc/30/84/42/525308442.db2.gz GNEHCNKQQWBMML-TVQRCGJNSA-N 1 0 284.306 2.060 10 0 CEAERO Cc1cc(OC[C@H](O)C[NH2+][C@H]2C[C@@H]2C)ccc1Cl ZINC000052278190 525374014 /nfs/dbraw/zinc/37/40/14/525374014.db2.gz QNWPSMVWBCCDTK-WDMOLILDSA-N 1 0 269.772 2.386 10 0 CEAERO COc1ccc([C@H](O)[C@H]([NH3+])Cc2ccccc2)cc1O ZINC000054686071 525378736 /nfs/dbraw/zinc/37/87/36/525378736.db2.gz IOEXBINGFLNFOA-CJNGLKHVSA-N 1 0 273.332 2.004 10 0 CEAERO Cc1ccc(OC[C@@]([NH2+]C(C)C)(C(N)=O)C2CC2)cc1C ZINC000069197333 525434038 /nfs/dbraw/zinc/43/40/38/525434038.db2.gz FMVRWOYTMUMDLP-KRWDZBQOSA-N 1 0 290.407 2.314 10 0 CEAERO CSCCNC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000069463024 525507178 /nfs/dbraw/zinc/50/71/78/525507178.db2.gz POTBHZZTZDCYLT-VIFPVBQESA-N 1 0 253.371 2.191 10 0 CEAERO C[C@@H](NS(=O)(=O)c1ccccc1C[NH3+])C1CCCCC1 ZINC000052341342 525580231 /nfs/dbraw/zinc/58/02/31/525580231.db2.gz SCVCCCRMVDVCEM-GFCCVEGCSA-N 1 0 296.436 2.392 10 0 CEAERO C[C@@H]([NH2+][C@@H](C)Cc1ccco1)c1nnc2n1CCC2 ZINC000062771625 525599462 /nfs/dbraw/zinc/59/94/62/525599462.db2.gz LUGNLPMRKDJQJV-WDEREUQCSA-N 1 0 260.341 2.099 10 0 CEAERO C[C@H]([NH2+][C@H]1CCCS(=O)(=O)C1)c1cccc(F)c1 ZINC000069135562 525610052 /nfs/dbraw/zinc/61/00/52/525610052.db2.gz VXZKMNNCIYUQRB-GWCFXTLKSA-N 1 0 271.357 2.054 10 0 CEAERO COc1ccc2cc([C@H]3[C@@H]([NH3+])CC(=O)N3C)ccc2c1 ZINC000070292014 525640869 /nfs/dbraw/zinc/64/08/69/525640869.db2.gz JGQMZMMDQUBWNS-HOCLYGCPSA-N 1 0 270.332 2.079 10 0 CEAERO Cc1cc2ncn(C[C@@H]3CC[C@@H](C[NH3+])O3)c2cc1C ZINC000052575663 525684183 /nfs/dbraw/zinc/68/41/83/525684183.db2.gz GEEFYBSPVAVEHU-STQMWFEESA-N 1 0 259.353 2.159 10 0 CEAERO Cc1ccc([C@@H](C)[NH2+]CCn2c(C)csc2=O)o1 ZINC000183087129 525727397 /nfs/dbraw/zinc/72/73/97/525727397.db2.gz ISCBEZJHTSVUKQ-LLVKDONJSA-N 1 0 266.366 2.470 10 0 CEAERO Cc1ccc(-c2cc(N3CC[NH2+]CC3)n[nH]2)c(C)c1 ZINC000062669920 525735009 /nfs/dbraw/zinc/73/50/09/525735009.db2.gz YERPNMKSSQZPEB-UHFFFAOYSA-N 1 0 256.353 2.103 10 0 CEAERO C[C@@]([NH3+])(C(=O)NCCc1ccccc1)c1ccccc1 ZINC000052881140 525746997 /nfs/dbraw/zinc/74/69/97/525746997.db2.gz JQEHVNVXMUTWGL-KRWDZBQOSA-N 1 0 268.360 2.219 10 0 CEAERO Cc1ccc([C@@H](C[NH3+])Sc2n[nH]c(=O)n2C2CC2)cc1 ZINC000061594576 525756843 /nfs/dbraw/zinc/75/68/43/525756843.db2.gz SNSAARQPVWBTEP-GFCCVEGCSA-N 1 0 290.392 2.007 10 0 CEAERO Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H]2CN(C)C)c(C)c1 ZINC000061652668 525778151 /nfs/dbraw/zinc/77/81/51/525778151.db2.gz UCURVYGHMJMKIF-WBVHZDCISA-N 1 0 276.424 2.363 10 0 CEAERO C[C@@](O)(c1cncc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000069266294 525781806 /nfs/dbraw/zinc/78/18/06/525781806.db2.gz FJVRNVMGAIKANC-CJNGLKHVSA-N 1 0 256.349 2.442 10 0 CEAERO COc1cccc(C(=O)CN2CC[NH+](CC(C)C)CC2)c1 ZINC000055080149 525784659 /nfs/dbraw/zinc/78/46/59/525784659.db2.gz OIBQOMOAKHBSRL-UHFFFAOYSA-N 1 0 290.407 2.152 10 0 CEAERO Cc1ccc([C@@H]([C@@H](C)[NH3+])N(C)Cc2nccn2C)s1 ZINC000062247369 525785066 /nfs/dbraw/zinc/78/50/66/525785066.db2.gz HEPMGDAMFFGDCD-BXUZGUMPSA-N 1 0 278.425 2.310 10 0 CEAERO Cc1c(N)cccc1C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000049500434 525819034 /nfs/dbraw/zinc/81/90/34/525819034.db2.gz NFBZHYKCEYTSRT-GFCCVEGCSA-N 1 0 275.396 2.181 10 0 CEAERO Cc1ccsc1C(=O)N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000051358847 525820028 /nfs/dbraw/zinc/82/00/28/525820028.db2.gz BPGDECNYUDATDT-RYUDHWBXSA-N 1 0 264.394 2.413 10 0 CEAERO Cc1ccc(-c2nnc(CC[NH2+]C3CC3)o2)cc1F ZINC000050620338 525845978 /nfs/dbraw/zinc/84/59/78/525845978.db2.gz RCAKBWQIQTXQCU-UHFFFAOYSA-N 1 0 261.300 2.479 10 0 CEAERO C[C@@H](O)c1cccc(NC(=O)N[C@@H](C)CC[NH+](C)C)c1 ZINC000049562065 525871148 /nfs/dbraw/zinc/87/11/48/525871148.db2.gz YISGKLABJBZIEH-NWDGAFQWSA-N 1 0 279.384 2.202 10 0 CEAERO Cc1ccc(-c2noc(CN3[C@H](C)C[NH2+]C[C@H]3C)n2)cc1 ZINC000069134654 525879291 /nfs/dbraw/zinc/87/92/91/525879291.db2.gz OEUZXIYFYJKCDE-CHWSQXEVSA-N 1 0 286.379 2.227 10 0 CEAERO Cc1ccc(-c2noc(NCCC[NH+](C)C)n2)cc1 ZINC000057354026 525883592 /nfs/dbraw/zinc/88/35/92/525883592.db2.gz GXHJNIKPFBFAPO-UHFFFAOYSA-N 1 0 260.341 2.409 10 0 CEAERO Cc1ccc([C@H]([NH3+])c2ccc3c(c2)n(C)c(=O)n3C)s1 ZINC000051392337 525964121 /nfs/dbraw/zinc/96/41/21/525964121.db2.gz HRPDURSHGSHMMH-CQSZACIVSA-N 1 0 287.388 2.295 10 0 CEAERO Cc1ccc2c(c1)[C@@H](NC[C@@H](O)C[NH+]1CCCCC1)CC2 ZINC000151315390 526190734 /nfs/dbraw/zinc/19/07/34/526190734.db2.gz QYKFFWJHFQTJSS-AEFFLSMTSA-N 1 0 288.435 2.419 10 0 CEAERO C[C@H](C(=O)c1ccc(F)c(F)c1)N(C)C1CC[NH2+]CC1 ZINC000050158805 526190965 /nfs/dbraw/zinc/19/09/65/526190965.db2.gz IGNAYZLPSYGSSR-SNVBAGLBSA-N 1 0 282.334 2.220 10 0 CEAERO COc1cccc(NC(=O)NC[C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000062037389 526190939 /nfs/dbraw/zinc/19/09/39/526190939.db2.gz RMBHRHXQAWVWSO-VXGBXAGGSA-N 1 0 277.368 2.205 10 0 CEAERO Cc1cnn(-c2cc(C(N)=[NH2+])c3ccccc3n2)c1 ZINC000068798094 526246344 /nfs/dbraw/zinc/24/63/44/526246344.db2.gz FDIHLUYZEZYGBX-UHFFFAOYSA-N 1 0 251.293 2.013 10 0 CEAERO C[C@H]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055089620 526254393 /nfs/dbraw/zinc/25/43/93/526254393.db2.gz HMDJRBJJUMYFHO-DGAVXFQQSA-N 1 0 252.402 2.446 10 0 CEAERO C[C@H]1CCCC[C@@H]1Cn1nnnc1C[NH2+]C(C)(C)C ZINC000054747023 526255077 /nfs/dbraw/zinc/25/50/77/526255077.db2.gz TVMJGGNJFWFFMR-NWDGAFQWSA-N 1 0 265.405 2.388 10 0 CEAERO Cc1cc(C(=O)N2C[C@H](C[NH3+])CC[C@H]2C)ccc1F ZINC000070180242 526262329 /nfs/dbraw/zinc/26/23/29/526262329.db2.gz SZNHULOFYQQDKA-NEPJUHHUSA-N 1 0 264.344 2.334 10 0 CEAERO Cc1nn(Cc2cc(C[NH3+])co2)c(C)c1Br ZINC000052573656 526287391 /nfs/dbraw/zinc/28/73/91/526287391.db2.gz ZLUSCDBTMNAIGR-UHFFFAOYSA-N 1 0 284.157 2.362 10 0 CEAERO Cc1nn([C@H](c2cccnc2)[C@@H](C)[NH3+])c(C)c1Cl ZINC000050586384 526306260 /nfs/dbraw/zinc/30/62/60/526306260.db2.gz IOJNAQBFXZYXRK-OQPBUACISA-N 1 0 264.760 2.485 10 0 CEAERO Fc1ccc(-c2noc([C@@H]3CC[NH2+]C3)n2)cc1F ZINC000062119678 526319824 /nfs/dbraw/zinc/31/98/24/526319824.db2.gz HRDAWPNWNJMKSL-MRVPVSSYSA-N 1 0 251.236 2.092 10 0 CEAERO Cc1nnc(N(C)c2ccc(F)cc2)c(C(N)=[NH2+])c1C ZINC000049965173 526352594 /nfs/dbraw/zinc/35/25/94/526352594.db2.gz HCZVBNMHYNNINE-UHFFFAOYSA-N 1 0 273.315 2.285 10 0 CEAERO Fc1cccc(F)c1-c1nnc(CC[NH2+]C2CC2)o1 ZINC000050620362 526392661 /nfs/dbraw/zinc/39/26/61/526392661.db2.gz UMBGFSWHALIIAC-UHFFFAOYSA-N 1 0 265.263 2.309 10 0 CEAERO c1cc(-c2nnc(CCC[NH2+]C3CC3)o2)cc2c1OCC2 ZINC000050892709 526416127 /nfs/dbraw/zinc/41/61/27/526416127.db2.gz BMMHKWGOOSLFQB-UHFFFAOYSA-N 1 0 285.347 2.356 10 0 CEAERO c1cc2c(s1)CCC[C@@H]2[NH2+]CCN1CCOCC1 ZINC000061324734 526444787 /nfs/dbraw/zinc/44/47/87/526444787.db2.gz LEEPGVQMZQSWPP-ZDUSSCGKSA-N 1 0 266.410 2.047 10 0 CEAERO c1cn(-c2ccccc2)nc1COC[C@@H]1CCC[NH2+]1 ZINC000061641224 526527066 /nfs/dbraw/zinc/52/70/66/526527066.db2.gz PCUXOPQJGYWXDL-ZDUSSCGKSA-N 1 0 257.337 2.141 10 0 CEAERO c1cnc2ccc(CN3CC[NH2+][C@@H](C4CC4)C3)cc2c1 ZINC000068692612 526544244 /nfs/dbraw/zinc/54/42/44/526544244.db2.gz POHJLFCBEHGDGR-QGZVFWFLSA-N 1 0 267.376 2.419 10 0 CEAERO O=C(NC[C@H]1CC=CCC1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000045647408 526586962 /nfs/dbraw/zinc/58/69/62/526586962.db2.gz TUUURAWRLMBRBL-XJKSGUPXSA-N 1 0 270.376 2.346 10 0 CEAERO c1nn(C[C@@H]2CC[C@@H](C[NH2+]C3CC3)O2)c2ccccc12 ZINC000052574222 526619702 /nfs/dbraw/zinc/61/97/02/526619702.db2.gz PCBVRLHLNKHHJA-GJZGRUSLSA-N 1 0 271.364 2.336 10 0 CEAERO Cc1oc(CN2CCO[C@H](C)C2)cc1C[NH2+]C(C)C ZINC000052382364 526771984 /nfs/dbraw/zinc/77/19/84/526771984.db2.gz ZOCPDYFMRSNLEG-GFCCVEGCSA-N 1 0 266.385 2.307 10 0 CEAERO NC(=[NH2+])c1cc(Cl)ccc1OC1CCOCC1 ZINC000052860384 526820961 /nfs/dbraw/zinc/82/09/61/526820961.db2.gz AYPYELFMQBTNFT-UHFFFAOYSA-N 1 0 254.717 2.182 10 0 CEAERO NC(=[NH2+])c1cc(N2CCSCC2)nc2ccccc21 ZINC000068797623 526821076 /nfs/dbraw/zinc/82/10/76/526821076.db2.gz JZJAEQVMGVAGEQ-UHFFFAOYSA-N 1 0 272.377 2.072 10 0 CEAERO NC(=[NH2+])c1ccc2ccc(Br)cc2n1 ZINC000062673082 526824028 /nfs/dbraw/zinc/82/40/28/526824028.db2.gz WQWZWDJMBQDLSK-UHFFFAOYSA-N 1 0 250.099 2.281 10 0 CEAERO Cc1nc(Cc2ncc3c(n2)CCC[C@@H]3[NH3+])cs1 ZINC000055296586 526928685 /nfs/dbraw/zinc/92/86/85/526928685.db2.gz AJONPJDMKVKCKH-NSHDSACASA-N 1 0 260.366 2.168 10 0 CEAERO O=C(N[C@@H]1CC[NH2+]C2(CCCCC2)C1)C(F)(F)F ZINC000062810225 526932455 /nfs/dbraw/zinc/93/24/55/526932455.db2.gz AACZZAMAUAXUEI-SECBINFHSA-N 1 0 264.291 2.120 10 0 CEAERO Clc1ccccc1OCC[NH2+]C[C@@H]1CCCO1 ZINC000049633306 526990623 /nfs/dbraw/zinc/99/06/23/526990623.db2.gz BXIVRKMVMNIAAJ-NSHDSACASA-N 1 0 255.745 2.487 10 0 CEAERO NC(=O)[C@](CSc1ccc(F)cc1)([NH2+]C1CC1)C1CC1 ZINC000069186772 527015982 /nfs/dbraw/zinc/01/59/82/527015982.db2.gz TVIKGNHACNUJGR-OAHLLOKOSA-N 1 0 294.395 2.304 10 0 CEAERO O=C(N[C@H]1CCCC[NH2+]C1)C12CC3CC(CC(C3)C1)C2 ZINC000070120182 527021272 /nfs/dbraw/zinc/02/12/72/527021272.db2.gz OMSYJHYMYFSAPT-RDVIWEACSA-N 1 0 276.424 2.461 10 0 CEAERO NC(=O)c1cc(N[C@H]2CCCC[C@@H]2[NH3+])nc2ccccc21 ZINC000068770783 527032625 /nfs/dbraw/zinc/03/26/25/527032625.db2.gz SYMMUFYCVJLUJR-JSGCOSHPSA-N 1 0 284.363 2.016 10 0 CEAERO Cn1c(CN2CCC[NH2+]CC2)nc2cccc(Cl)c21 ZINC000061145538 527054369 /nfs/dbraw/zinc/05/43/69/527054369.db2.gz NPFMLHIBVQLQIF-UHFFFAOYSA-N 1 0 278.787 2.022 10 0 CEAERO O=C(C[C@@H]1CCCC[NH2+]1)NCc1ccc(F)c(F)c1 ZINC000049575588 527110241 /nfs/dbraw/zinc/11/02/41/527110241.db2.gz DMMOBXZTUGDZOP-NSHDSACASA-N 1 0 268.307 2.113 10 0 CEAERO [NH3+]C1CCC(CCC(=O)N2CCCC[C@@H]2CCO)CC1 ZINC000055124129 527139161 /nfs/dbraw/zinc/13/91/61/527139161.db2.gz HMAWHYIRJKTBHL-YMAMQOFZSA-N 1 0 282.428 2.048 10 0 CEAERO [NH3+]CC1([C@@H]2CS(=O)(=O)c3ccccc32)CCCC1 ZINC000054635672 527164989 /nfs/dbraw/zinc/16/49/89/527164989.db2.gz PCYMPZUSEYAORM-GFCCVEGCSA-N 1 0 265.378 2.077 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1cc2c(cc1Cl)OCO2 ZINC000054306730 527168162 /nfs/dbraw/zinc/16/81/62/527168162.db2.gz XNUCQIMAEBYKBQ-SECBINFHSA-N 1 0 296.754 2.397 10 0 CEAERO [NH3+]CCCCc1nnc2ccc(C(F)(F)F)cn21 ZINC000070201394 527176666 /nfs/dbraw/zinc/17/66/66/527176666.db2.gz DDWJEDVYTYBRIW-UHFFFAOYSA-N 1 0 258.247 2.030 10 0 CEAERO O=S(=O)(C[C@@H]1CCC[NH2+]C1)Nc1ccccc1Cl ZINC000049641698 527182481 /nfs/dbraw/zinc/18/24/81/527182481.db2.gz KTILCCYQTJEHBQ-SNVBAGLBSA-N 1 0 288.800 2.081 10 0 CEAERO [NH3+]CCN(c1nncc2ccccc21)C1CCCC1 ZINC000053706188 527186862 /nfs/dbraw/zinc/18/68/62/527186862.db2.gz VUBLIPJQAZYHDK-UHFFFAOYSA-N 1 0 256.353 2.338 10 0 CEAERO [NH3+]CC[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1O ZINC000070149234 527192384 /nfs/dbraw/zinc/19/23/84/527192384.db2.gz POXJIPZKUOWFNE-NSHDSACASA-N 1 0 282.771 2.389 10 0 CEAERO [NH3+]CCc1nccn1Cc1c(F)cccc1Cl ZINC000052304278 527198778 /nfs/dbraw/zinc/19/87/78/527198778.db2.gz KIPZPISOCQLHDP-UHFFFAOYSA-N 1 0 253.708 2.225 10 0 CEAERO [NH3+]CCc1nccn1Cc1ccc(C(F)(F)F)cc1 ZINC000052304295 527199112 /nfs/dbraw/zinc/19/91/12/527199112.db2.gz KMFOAOWKQOXAPT-UHFFFAOYSA-N 1 0 269.270 2.451 10 0 CEAERO [NH3+]C[C@@H](CCc1ccccc1)N1CCCSCC1 ZINC000061624845 527201565 /nfs/dbraw/zinc/20/15/65/527201565.db2.gz IPSNPJRIYJUVFA-OAHLLOKOSA-N 1 0 264.438 2.385 10 0 CEAERO [NH3+]C[C@@H](Sc1ncnc2[nH]cnc21)c1ccc(F)cc1 ZINC000051036267 527206777 /nfs/dbraw/zinc/20/67/77/527206777.db2.gz XOHFLUNTUZOPQW-SNVBAGLBSA-N 1 0 289.339 2.284 10 0 CEAERO [NH3+]C[C@@H](c1nc(Cc2ccccn2)no1)c1ccccc1 ZINC000061609366 527207430 /nfs/dbraw/zinc/20/74/30/527207430.db2.gz PITMCBTYCDKSJU-CQSZACIVSA-N 1 0 280.331 2.146 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H](C(=O)NCC2CCCCC2)C1 ZINC000055147103 527235772 /nfs/dbraw/zinc/23/57/72/527235772.db2.gz RXSSOYWUASSLDI-KBPBESRZSA-N 1 0 252.402 2.448 10 0 CEAERO [NH3+]C[C@](O)(c1cccc(OC(F)(F)F)c1)C(F)(F)F ZINC000062784743 527242293 /nfs/dbraw/zinc/24/22/93/527242293.db2.gz MXXVQUXCYGRJFZ-QMMMGPOBSA-N 1 0 289.175 2.294 10 0 CEAERO [NH3+]Cc1cc(Oc2ccc3c(c2)CCC(=O)N3)ccn1 ZINC000061811901 527250571 /nfs/dbraw/zinc/25/05/71/527250571.db2.gz MQLFWWQKZLGDOW-UHFFFAOYSA-N 1 0 269.304 2.217 10 0 CEAERO [NH3+]Cc1ccc(-n2cc(-c3ccccc3)cn2)nc1 ZINC000054938022 527251768 /nfs/dbraw/zinc/25/17/68/527251768.db2.gz YMCLDFCAGIDZCS-UHFFFAOYSA-N 1 0 250.305 2.393 10 0 CEAERO [NH3+]Cc1ccc(NC(=O)COc2cccc(F)c2F)cc1 ZINC000062613139 527256021 /nfs/dbraw/zinc/25/60/21/527256021.db2.gz TUTXAOFWFIRAKA-UHFFFAOYSA-N 1 0 292.285 2.441 10 0 CEAERO [NH3+]Cc1ccoc1CN1CCN(c2ccc(F)cc2)CC1 ZINC000052418209 527261643 /nfs/dbraw/zinc/26/16/43/527261643.db2.gz KWPHLMQYVRVUQX-UHFFFAOYSA-N 1 0 289.354 2.200 10 0 CEAERO [NH3+]Cc1cnc(Cc2ccccc2Br)nc1 ZINC000055336045 527262589 /nfs/dbraw/zinc/26/25/89/527262589.db2.gz OWPAWWHRKGZOPU-UHFFFAOYSA-N 1 0 278.153 2.289 10 0 CEAERO [NH3+]Cc1cnc2ccccc2c1N1CCC[C@H]1CCCO ZINC000052756747 527264168 /nfs/dbraw/zinc/26/41/68/527264168.db2.gz IGMFSAJBUZBTTI-AWEZNQCLSA-N 1 0 285.391 2.435 10 0 CEAERO [NH3+]Cc1ncccc1COc1cc(F)cc(F)c1 ZINC000061657754 527265889 /nfs/dbraw/zinc/26/58/89/527265889.db2.gz RNBFJFZVDPXVDQ-UHFFFAOYSA-N 1 0 250.248 2.398 10 0 CEAERO NNc1ccc(C(=O)N2CCC[C@@H]2C2CCCC2)c[nH+]1 ZINC000051113212 527275916 /nfs/dbraw/zinc/27/59/16/527275916.db2.gz CKPSYLOOICYZMJ-CYBMUJFWSA-N 1 0 274.368 2.162 10 0 CEAERO Cc1nccc(CNC2CC(C)(C)[NH2+]C(C)(C)C2)n1 ZINC000054790135 527337220 /nfs/dbraw/zinc/33/72/20/527337220.db2.gz CZBXZJZVZFAWKN-UHFFFAOYSA-N 1 0 262.401 2.184 10 0 CEAERO Cc1nccc(CNC[C@@]2([NH+](C)C)CCC[C@H](C)C2)n1 ZINC000054790815 527337726 /nfs/dbraw/zinc/33/77/26/527337726.db2.gz ZVVMIMTVCSJLSQ-XJKSGUPXSA-N 1 0 276.428 2.385 10 0 CEAERO [NH3+][C@@H](c1ccc2c(c1)CCO2)c1ccc2[nH]c(=O)oc2c1 ZINC000050892105 527338955 /nfs/dbraw/zinc/33/89/55/527338955.db2.gz JIIGDDVKEFVNPL-HNNXBMFYSA-N 1 0 282.299 2.104 10 0 CEAERO [NH3+][C@H](Cc1ccccc1)[C@@H](O)c1ccc2c(c1)OCO2 ZINC000054685704 527389997 /nfs/dbraw/zinc/38/99/97/527389997.db2.gz VKOVCRLSHQDMHA-CJNGLKHVSA-N 1 0 271.316 2.019 10 0 CEAERO [NH3+][C@H](c1cc2c(cc1F)NC(=O)CC2)C1CCOCC1 ZINC000061671564 527390789 /nfs/dbraw/zinc/39/07/89/527390789.db2.gz DRNYBMCMKXTDAE-HNNXBMFYSA-N 1 0 278.327 2.137 10 0 CEAERO [NH3+][C@H]1CC(=O)N(c2cc(Br)ccc2Cl)C1 ZINC000061692326 527393809 /nfs/dbraw/zinc/39/38/09/527393809.db2.gz HRVMUXWORXATFU-ZETCQYMHSA-N 1 0 289.560 2.167 10 0 CEAERO [NH3+][C@H]1CCCN(C(=O)Cc2cc(Cl)ccc2Cl)C1 ZINC000158013949 527398687 /nfs/dbraw/zinc/39/86/87/527398687.db2.gz ZCGIBEKOXJWYLC-NSHDSACASA-N 1 0 287.190 2.486 10 0 CEAERO [NH3+][C@H]1CCN(c2cc(Br)ccc2Cl)C1=O ZINC000061691689 527411182 /nfs/dbraw/zinc/41/11/82/527411182.db2.gz IIOAMJXMDWERRF-QMMMGPOBSA-N 1 0 289.560 2.167 10 0 CEAERO Cc1nccn1CCN1C[C@@H](C)[NH2+]C[C@@H]1c1ccccc1 ZINC000068699016 527425880 /nfs/dbraw/zinc/42/58/80/527425880.db2.gz KYWZDBAHDGLSRJ-RHSMWYFYSA-N 1 0 284.407 2.227 10 0 CEAERO Cc1nccn1CC[N@H+]1C[C@@H](C)NCC12CCCCC2 ZINC000068698848 527426202 /nfs/dbraw/zinc/42/62/02/527426202.db2.gz PRBWCCGBBQKFQI-CQSZACIVSA-N 1 0 276.428 2.188 10 0 CEAERO Cc1nccn1CC[N@H+]1C[C@H](C)NCC12CCCCC2 ZINC000068698846 527426963 /nfs/dbraw/zinc/42/69/63/527426963.db2.gz PRBWCCGBBQKFQI-AWEZNQCLSA-N 1 0 276.428 2.188 10 0 CEAERO Cn1cc[nH+]c1N(CCC(N)=S)c1ccccc1 ZINC000050605443 527445347 /nfs/dbraw/zinc/44/53/47/527445347.db2.gz VMLNSFTZTQTEAY-UHFFFAOYSA-N 1 0 260.366 2.234 10 0 CEAERO Cc1nccn1C[C@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000052576199 527448639 /nfs/dbraw/zinc/44/86/39/527448639.db2.gz XUGAFPVISGMWQJ-QWHCGFSZSA-N 1 0 251.374 2.127 10 0 CEAERO Nc1cc(Cl)ccc1C[NH+]1CCC(CO)CC1 ZINC000050442885 527451790 /nfs/dbraw/zinc/45/17/90/527451790.db2.gz IVZYQFPHDIIVCL-UHFFFAOYSA-N 1 0 254.761 2.127 10 0 CEAERO O=c1c2ccccc2ncn1CCC[NH2+]C1CCCC1 ZINC000053526082 527467002 /nfs/dbraw/zinc/46/70/02/527467002.db2.gz DCGIPOMGXONHJE-UHFFFAOYSA-N 1 0 271.364 2.319 10 0 CEAERO Cn1cnnc1-c1cccc(NC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000054242369 527520298 /nfs/dbraw/zinc/52/02/98/527520298.db2.gz LEGHHZUTOHQXSV-ZDUSSCGKSA-N 1 0 285.395 2.236 10 0 CEAERO O[C@@H](c1ccc(OC(F)(F)F)cc1)[C@H]1CCC[NH2+]1 ZINC000070319662 527667027 /nfs/dbraw/zinc/66/70/27/527667027.db2.gz UOPXJTYULZAVLI-MNOVXSKESA-N 1 0 261.243 2.371 10 0 CEAERO Cc1nn(C)c(N(C)[C@@H]2CCSC2)c1C[NH2+]CC(C)C ZINC000062735525 527670292 /nfs/dbraw/zinc/67/02/92/527670292.db2.gz JXQRTGWGEHOPSR-CYBMUJFWSA-N 1 0 296.484 2.416 10 0 CEAERO Cc1nn(C)c(N2C[C@H](C)OC[C@@H]2C)c1C[NH2+]C(C)(C)C ZINC000062735845 527676377 /nfs/dbraw/zinc/67/63/77/527676377.db2.gz VNJWSTXGEZLFFI-RYUDHWBXSA-N 1 0 294.443 2.230 10 0 CEAERO Cc1nn(C)c(N2C[C@H](C)O[C@@H](C)C2)c1C[NH2+]C(C)(C)C ZINC000062734259 527676680 /nfs/dbraw/zinc/67/66/80/527676680.db2.gz NOCOEJBTQVLZNU-RYUDHWBXSA-N 1 0 294.443 2.230 10 0 CEAERO CCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(Cl)cn2)C1 ZINC000414334097 527804899 /nfs/dbraw/zinc/80/48/99/527804899.db2.gz FZTWPCOTOZXQSN-CMPLNLGQSA-N 1 0 253.777 2.480 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)OCC(F)(F)F ZINC000178835006 527978535 /nfs/dbraw/zinc/97/85/35/527978535.db2.gz GKKVBHSRPJDZCC-SNVBAGLBSA-N 1 0 282.306 2.395 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N([C@@H](C)C2CC2)C2CC2)C1 ZINC000174233597 529053037 /nfs/dbraw/zinc/05/30/37/529053037.db2.gz KSRMWSUPDTWUMK-GXTWGEPZSA-N 1 0 279.428 2.443 10 0 CEAERO CCN1CCC[C@@H]([NH2+]Cc2cncc(Br)c2)C1 ZINC000157876972 529056617 /nfs/dbraw/zinc/05/66/17/529056617.db2.gz DCVMCXFYXVWXRR-CYBMUJFWSA-N 1 0 298.228 2.418 10 0 CEAERO CCc1cccc(CC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000178539344 529160481 /nfs/dbraw/zinc/16/04/81/529160481.db2.gz XBLADJCBCFCQQO-INIZCTEOSA-N 1 0 272.392 2.098 10 0 CEAERO CCO[C@H]1CCCN(c2cccc(F)c2C(N)=[NH2+])C1 ZINC000093408836 535621157 /nfs/dbraw/zinc/62/11/57/535621157.db2.gz CYBQXGCSUHUTBP-JTQLQIEISA-N 1 0 265.332 2.115 10 0 CEAERO CN1CCN(C(=[NH2+])NC2CCCC2)c2ccccc21 ZINC000111464505 536398372 /nfs/dbraw/zinc/39/83/72/536398372.db2.gz SRHBWTNHACMZFN-UHFFFAOYSA-N 1 0 258.369 2.410 10 0 CEAERO C[NH2+][C@H]1CCCN(c2ccc(Br)c(C)n2)C1 ZINC000234483837 536415344 /nfs/dbraw/zinc/41/53/44/536415344.db2.gz MXMAWJJONBPAQH-JTQLQIEISA-N 1 0 284.201 2.341 10 0 CEAERO COc1cc(N2CCC(C[NH2+]C(C)C)CC2)nc(C)n1 ZINC000090787276 536824463 /nfs/dbraw/zinc/82/44/63/536824463.db2.gz ZPZMKWAYUWRERT-UHFFFAOYSA-N 1 0 278.400 2.008 10 0 CEAERO Brc1cccc(-c2cnnn2[C@H]2CC[NH2+]C2)c1 ZINC000259561430 570268035 /nfs/dbraw/zinc/26/80/35/570268035.db2.gz YBNXWCUWUYRTOI-NSHDSACASA-N 1 0 293.168 2.242 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000675059560 570365693 /nfs/dbraw/zinc/36/56/93/570365693.db2.gz IWPNGNLXWLBTBK-RWMBFGLXSA-N 1 0 268.401 2.489 10 0 CEAERO CC[NH+]1CCC2(CC1)N[C@H](c1ccco1)CCO2 ZINC000757151920 574510853 /nfs/dbraw/zinc/51/08/53/574510853.db2.gz RVUODVIHHPSORA-LBPRGKRZSA-N 1 0 250.342 2.143 10 0 CEAERO CC[C@@H]1C[NH2+][C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000725255416 567915113 /nfs/dbraw/zinc/91/51/13/567915113.db2.gz AOVPPVLCLQCUHE-SMDDNHRTSA-N 1 0 254.374 2.386 10 0 CEAERO C[C@@H]([NH3+])[C@@H]1COc2cccc(Br)c2C1 ZINC000675063770 570366133 /nfs/dbraw/zinc/36/61/33/570366133.db2.gz OJRXLRWCTUTSBJ-SFYZADRCSA-N 1 0 256.143 2.347 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cn1ccc(C(F)(F)F)n1 ZINC000246921700 622880068 /nfs/dbraw/zinc/88/00/68/622880068.db2.gz DBLITCVLSMJGDA-QWRGUYRKSA-N 1 0 288.317 2.028 10 0 CEAERO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(C)cc1Br ZINC000757184751 622957751 /nfs/dbraw/zinc/95/77/51/622957751.db2.gz NCJDKBAAFOUYJC-GHMZBOCLSA-N 1 0 298.180 2.234 10 0 CEAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1cc(Cl)ccc1F ZINC000142595170 622974053 /nfs/dbraw/zinc/97/40/53/622974053.db2.gz OQBOAYWPCLMDLJ-QWRGUYRKSA-N 1 0 271.719 2.345 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1csc(Br)c1 ZINC000261536516 623354905 /nfs/dbraw/zinc/35/49/05/623354905.db2.gz RZVXRJINKDTSLI-POYBYMJQSA-N 1 0 289.198 2.072 10 0 CEAERO FC(F)(F)c1ccc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)nc1 ZINC000261580494 623383124 /nfs/dbraw/zinc/38/31/24/623383124.db2.gz FKOHQYFFALAYJI-ONGXEEELSA-N 1 0 271.286 2.289 10 0 CEAERO C[C@@H](O)[C@H](C)[NH2+]Cc1cscc1Br ZINC000308260696 623621366 /nfs/dbraw/zinc/62/13/66/623621366.db2.gz NENDLTFXGGDBSK-NKWVEPMBSA-N 1 0 264.188 2.370 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(O)c(F)c1 ZINC000235649803 625688795 /nfs/dbraw/zinc/68/87/95/625688795.db2.gz JKNBCZDUPHTJFA-WCQYABFASA-N 1 0 264.344 2.200 10 0 CEAERO [NH3+]C1CC(C(=O)NCc2cccc3ccccc32)C1 ZINC000258661831 624138676 /nfs/dbraw/zinc/13/86/76/624138676.db2.gz HDWRHKHFQYOHPM-UHFFFAOYSA-N 1 0 254.333 2.193 10 0 CEAERO COc1cccc([C@@H]2CCCN2C(=O)[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000235028617 624479481 /nfs/dbraw/zinc/47/94/81/624479481.db2.gz OBRUAXHRXQTVRX-WQVCFCJDSA-N 1 0 288.391 2.214 10 0 CEAERO [NH3+]C[C@@H]1CCO[C@@H]1c1nc(-c2cccnc2C2CC2)no1 ZINC000888078459 624706910 /nfs/dbraw/zinc/70/69/10/624706910.db2.gz TYTIDEJOWFXXKP-GWCFXTLKSA-N 1 0 286.335 2.045 10 0 CEAERO C[C@@H]1CN(C(=O)c2csc3ccccc23)C[C@H]1[NH3+] ZINC000235372229 624717350 /nfs/dbraw/zinc/71/73/50/624717350.db2.gz JKNVZWFMMQATHP-BXKDBHETSA-N 1 0 260.362 2.321 10 0 CEAERO C[C@H]1CN(C(=O)Cc2ccc3ccccc3c2)C[C@@H]1[NH3+] ZINC000235719668 625722059 /nfs/dbraw/zinc/72/20/59/625722059.db2.gz BZQVPWUIXRIXSX-LRDDRELGSA-N 1 0 268.360 2.188 10 0 CEAERO Cc1nc(NC[C@H]2CCC[NH2+]2)ccc1Br ZINC000235951929 625798313 /nfs/dbraw/zinc/79/83/13/625798313.db2.gz XJGKSCQLZMTRMD-SECBINFHSA-N 1 0 270.174 2.316 10 0 CEAERO COc1cc2c(c(Br)c1)O[C@H](C)[C@@H]2[NH3+] ZINC000163000022 627341046 /nfs/dbraw/zinc/34/10/46/627341046.db2.gz ZGOPPMBOSDZATQ-ANLVUFKYSA-N 1 0 258.115 2.238 10 0 CEAERO C[C@@H]1Cc2cc(-c3cnn(CCC[NH3+])c3)ccc2O1 ZINC000311498731 627670768 /nfs/dbraw/zinc/67/07/68/627670768.db2.gz LEDDGDLMIBDJAZ-LLVKDONJSA-N 1 0 257.337 2.222 10 0 CEAERO c1ccc2c(c1)OCC[C@@H]2N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328563045 627891034 /nfs/dbraw/zinc/89/10/34/627891034.db2.gz ITJCOIGUXUHIKY-BZIPOHERSA-N 1 0 270.376 2.096 10 0 CEAERO C[C@@H](NC(=O)COCC[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000093230732 628610022 /nfs/dbraw/zinc/61/00/22/628610022.db2.gz WMPDPWGBHMUAMM-GFCCVEGCSA-N 1 0 278.396 2.137 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1ccc(Br)s1 ZINC000261537047 628936505 /nfs/dbraw/zinc/93/65/05/628936505.db2.gz URFCTKBFEGVYTA-RNFRBKRXSA-N 1 0 289.198 2.072 10 0 CEAERO C[C@@H]1CCC[C@H](NC(=O)CC[C@H]2CCC[NH2+]2)[C@@H]1C ZINC000261554681 628937249 /nfs/dbraw/zinc/93/72/49/628937249.db2.gz BBEKGUUTWWLDFR-SYQHCUMBSA-N 1 0 252.402 2.460 10 0 CEAERO Cc1ccnc(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1Br ZINC000261549848 628937399 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COC(=O)[C@H]1C[N@H+](Cc2csc(C)c2)C[C@@H]1C ZINC000310387106 629317742 /nfs/dbraw/zinc/31/77/42/629317742.db2.gz QQJWGMOHRCYYEV-CABZTGNLSA-N 1 0 253.367 2.297 10 0 CEAERO CC(C)[C@@H]1CC[C@@H]1[NH2+]C1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263514934 631456607 /nfs/dbraw/zinc/45/66/07/631456607.db2.gz OJWQZTWLDDLZQH-CKUJCDMFSA-N 1 0 294.439 2.338 10 0 CEAERO O[C@@H](C[N@@H+]1CCC[C@]2(CCCOC2)C1)c1cccnc1 ZINC000827963487 636472171 /nfs/dbraw/zinc/47/21/71/636472171.db2.gz MQBXGLWHWSHCSN-HOTGVXAUSA-N 1 0 276.380 2.008 10 0 CEAERO Cc1ccc(C)c(C(=O)N[C@@H]2C[NH+]3CCC2CC3)c1 ZINC000222593448 639382793 /nfs/dbraw/zinc/38/27/93/639382793.db2.gz XTCCRYKPICQDTF-OAHLLOKOSA-N 1 0 258.365 2.127 10 0 CEAERO COc1c2c(sc1C(=O)NCCC[NH+](C)C)CCCC2 ZINC000223461616 639425005 /nfs/dbraw/zinc/42/50/05/639425005.db2.gz QBOKCOQQNKDKJP-UHFFFAOYSA-N 1 0 296.436 2.317 10 0 CEAERO CO[C@H](c1noc(C[C@H](C)[C@@H]2CCC[NH2+]C2)n1)C1CC1 ZINC000227330844 639584977 /nfs/dbraw/zinc/58/49/77/639584977.db2.gz KLCNKGUSFFHOJJ-SUHUHFCYSA-N 1 0 279.384 2.345 10 0 CEAERO CCCS(=O)(=O)CC[NH2+][C@@H](C)c1cccc(C)c1 ZINC000227349396 639586236 /nfs/dbraw/zinc/58/62/36/639586236.db2.gz XBXYGXNHPVCDJX-ZDUSSCGKSA-N 1 0 269.410 2.470 10 0 CEAERO [NH3+][C@H](CC(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F)C1CC1 ZINC000228531667 639639242 /nfs/dbraw/zinc/63/92/42/639639242.db2.gz WHBJUPDYSCFKHX-HBNTYKKESA-N 1 0 278.318 2.351 10 0 CEAERO COC(=O)[C@@H]1C[N@H+](C[C@@H]2CCC3(CCCC3)O2)C[C@@H]1C ZINC000229390884 639696985 /nfs/dbraw/zinc/69/69/85/639696985.db2.gz DVVCLMMWLLMWHT-MELADBBJSA-N 1 0 281.396 2.219 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)Nc1cccc(F)c1 ZINC000061884452 639727614 /nfs/dbraw/zinc/72/76/14/639727614.db2.gz VQUWSXXYAWSHIY-CABZTGNLSA-N 1 0 251.305 2.075 10 0 CEAERO CO[C@@H](c1nc(C[C@H]2CCC[NH2+]C2)no1)c1ccccc1 ZINC000063084417 639822920 /nfs/dbraw/zinc/82/29/20/639822920.db2.gz LDQGCOKHTZWODA-IUODEOHRSA-N 1 0 287.363 2.348 10 0 CEAERO C[C@@H](NC(=O)C1([NH3+])CC1)c1ccc2c(c1)CCCC2 ZINC000088130065 639942777 /nfs/dbraw/zinc/94/27/77/639942777.db2.gz DWSCWASRWGPYQB-LLVKDONJSA-N 1 0 258.365 2.234 10 0 CEAERO CCc1cc(NC[C@H]([NH3+])c2ccccc2)nc(C)n1 ZINC000088760599 640010116 /nfs/dbraw/zinc/01/01/16/640010116.db2.gz PNIXIDKZUCLFMF-AWEZNQCLSA-N 1 0 256.353 2.459 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)CCCSC(C)(C)C)C1 ZINC000152567427 640274249 /nfs/dbraw/zinc/27/42/49/640274249.db2.gz DVMLQODGTJRNCS-LBPRGKRZSA-N 1 0 272.458 2.461 10 0 CEAERO CC(C)(C)OC(=O)NC1CC([NH2+]C[C@H](O)C(C)(C)C)C1 ZINC000324540423 640673410 /nfs/dbraw/zinc/67/34/10/640673410.db2.gz SYDAFAZRYMUYRU-MCIGGMRASA-N 1 0 286.416 2.039 10 0 CEAERO O[C@@H](C[NH+]1CCN(C/C=C/Cl)CC1)c1ccccc1 ZINC000105911781 640974994 /nfs/dbraw/zinc/97/49/94/640974994.db2.gz BDLYUFAPYIPVGB-SZTZYQKNSA-N 1 0 280.799 2.090 10 0 CEAERO C[NH+](C)[C@H]1CCN(Cn2cc(-c3ccccc3)cn2)C1 ZINC000170842515 641338491 /nfs/dbraw/zinc/33/84/91/641338491.db2.gz CXBNFBWPUPPEIK-INIZCTEOSA-N 1 0 270.380 2.144 10 0 CEAERO Cc1cc(C)cc(OCCNC(=O)[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000237843364 641388514 /nfs/dbraw/zinc/38/85/14/641388514.db2.gz UUHWQIFMDMUCGX-GJZGRUSLSA-N 1 0 290.407 2.316 10 0 CEAERO COC[C@H]([NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)C1CC1 ZINC000180514728 641465804 /nfs/dbraw/zinc/46/58/04/641465804.db2.gz UURUFECIYKDZQO-YPMHNXCESA-N 1 0 286.416 2.304 10 0 CEAERO CC[C@H]([NH2+]C[C@](C)(O)c1ccccc1)[C@H]1CCCO1 ZINC000182347816 641649793 /nfs/dbraw/zinc/64/97/93/641649793.db2.gz ZAIXIASAUNNXTM-XHSDSOJGSA-N 1 0 263.381 2.441 10 0 CEAERO Cn1cncc1-c1cc(NC2CC[NH2+]CC2)nc2[nH]ccc21 ZINC000072148358 641872994 /nfs/dbraw/zinc/87/29/94/641872994.db2.gz VIPISZCCDPWAED-UHFFFAOYSA-N 1 0 296.378 2.127 10 0 CEAERO CCc1ccc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)s1 ZINC000185070749 641932979 /nfs/dbraw/zinc/93/29/79/641932979.db2.gz KKDMQVVPFXDHTE-MVWJERBFSA-N 1 0 264.394 2.120 10 0 CEAERO C[C@@H]([NH3+])C1CCN(c2ncccc2Br)CC1 ZINC000082480700 641987728 /nfs/dbraw/zinc/98/77/28/641987728.db2.gz ALTQHGDIPWYOOW-SECBINFHSA-N 1 0 284.201 2.408 10 0 CEAERO O=S(=O)(/C=C/c1ccccc1)NCCC[NH+]1CCCC1 ZINC000007728046 642917242 /nfs/dbraw/zinc/91/72/42/642917242.db2.gz LBTZYKGQAGTDST-NTEUORMPSA-N 1 0 294.420 2.063 10 0 CEAERO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCS2(=O)=O)cc1F ZINC000126912514 651000050 /nfs/dbraw/zinc/00/00/50/651000050.db2.gz MPHSMJHZWAUGNM-WCQYABFASA-N 1 0 285.384 2.362 10 0 CEAERO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCS2(=O)=O)cc1F ZINC000126912075 651000058 /nfs/dbraw/zinc/00/00/58/651000058.db2.gz MPHSMJHZWAUGNM-AAEUAGOBSA-N 1 0 285.384 2.362 10 0 CEAERO Cc1nc(C[NH2+][C@H]2CCCC[C@@H]2CO)sc1C ZINC000125016564 649778186 /nfs/dbraw/zinc/77/81/86/649778186.db2.gz FBPPLSRFGAXFRN-NEPJUHHUSA-N 1 0 254.399 2.401 10 0 CEAERO COC[C@H](C)C(=O)OCCC[N@H+](C)Cc1ccccc1 ZINC000129545884 652012197 /nfs/dbraw/zinc/01/21/97/652012197.db2.gz JQSISILEANDKCP-AWEZNQCLSA-N 1 0 279.380 2.334 10 0 CEAERO CCN1CCO[C@H](C[NH2+]Cc2cc(Cl)ccc2OC)C1 ZINC000134439131 652838654 /nfs/dbraw/zinc/83/86/54/652838654.db2.gz UEVGCCWBCNILEE-CQSZACIVSA-N 1 0 298.814 2.159 10 0 CEAERO CC(C)(C)OC(=O)NCCC[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000135305929 652964613 /nfs/dbraw/zinc/96/46/13/652964613.db2.gz VXNAIFZVFRPJDC-STQMWFEESA-N 1 0 286.416 2.042 10 0 CEAERO CSc1nc(Cl)cc(N2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000130879583 721885667 /nfs/dbraw/zinc/88/56/67/721885667.db2.gz JWVIGDJOLIYFES-SECBINFHSA-N 1 0 286.832 2.382 10 0 CEAERO COc1ccc([C@H]([NH3+])CS(=O)(=O)C2CCCC2)cc1 ZINC000081987973 177913797 /nfs/dbraw/zinc/91/37/97/177913797.db2.gz YMGFODKGVROOIZ-CQSZACIVSA-N 1 0 283.393 2.052 10 0 CEAERO C[NH2+][C@@H](C[S@](=O)c1ccccc1OC)C(C)(C)C ZINC000081999922 177916494 /nfs/dbraw/zinc/91/64/94/177916494.db2.gz XOCDNKHQSGIGPO-SCLBCKFNSA-N 1 0 269.410 2.437 10 0 CEAERO [NH3+]Cc1ccc(C(=O)NCc2cc(F)cc(F)c2)cc1 ZINC000082284309 177945192 /nfs/dbraw/zinc/94/51/92/177945192.db2.gz IAFHHRMKUYJGAS-UHFFFAOYSA-N 1 0 276.286 2.354 10 0 CEAERO Cc1ccnc(N2CC[N@H+](Cc3ccccc3)C[C@H](O)C2)c1 ZINC000095525032 185003975 /nfs/dbraw/zinc/00/39/75/185003975.db2.gz UEGLEDPCAGEOKB-KRWDZBQOSA-N 1 0 297.402 2.073 10 0 CEAERO C[NH+](C)[C@H](CO)c1ccc(F)c(Br)c1 ZINC000095532652 185004633 /nfs/dbraw/zinc/00/46/33/185004633.db2.gz CTULQLDFYNQDKI-SNVBAGLBSA-N 1 0 262.122 2.183 10 0 CEAERO CC[C@](C)(O)C[NH+]1CCN(Cc2ccccc2C)CC1 ZINC000187325680 529374365 /nfs/dbraw/zinc/37/43/65/529374365.db2.gz GXFHCOWMBVIGNE-KRWDZBQOSA-N 1 0 276.424 2.274 10 0 CEAERO COC(=O)C[C@H]([NH3+])c1sccc1Br ZINC000095706003 185018485 /nfs/dbraw/zinc/01/84/85/185018485.db2.gz LJASWEHPNBKGHP-LURJTMIESA-N 1 0 264.144 2.074 10 0 CEAERO O[C@@]1(Cc2ccc(F)c(Br)c2)CCC[NH2+]C1 ZINC000082462330 178038876 /nfs/dbraw/zinc/03/88/76/178038876.db2.gz CEJVRKLQKLGEHV-GFCCVEGCSA-N 1 0 288.160 2.245 10 0 CEAERO CN(CCC[NH+](C)C)c1ccc(Br)cc1N ZINC000082539925 178089066 /nfs/dbraw/zinc/08/90/66/178089066.db2.gz GZNBWOBEKAQAIZ-UHFFFAOYSA-N 1 0 286.217 2.419 10 0 CEAERO COc1cc(OC)c([C@@H]([NH3+])C2CCOCC2)cc1OC ZINC000095825109 185028758 /nfs/dbraw/zinc/02/87/58/185028758.db2.gz JFCIDMMKGOADKY-HNNXBMFYSA-N 1 0 281.352 2.139 10 0 CEAERO CCCC[NH2+]CCSc1nnc(N(C)C)s1 ZINC000082580237 178119023 /nfs/dbraw/zinc/11/90/23/178119023.db2.gz ALHJLXIAVXRTAY-UHFFFAOYSA-N 1 0 260.432 2.086 10 0 CEAERO [NH3+]CCc1ccc(-n2cc(Br)cn2)cc1 ZINC000082612157 178126037 /nfs/dbraw/zinc/12/60/37/178126037.db2.gz FZWIKPSWSVLBME-UHFFFAOYSA-N 1 0 266.142 2.136 10 0 CEAERO C[NH+](C)Cn1ccc2cc(Br)cnc21 ZINC000095937100 185034032 /nfs/dbraw/zinc/03/40/32/185034032.db2.gz DECHZASAHAQFBU-UHFFFAOYSA-N 1 0 254.131 2.318 10 0 CEAERO CC1(C)c2cc(C(=O)[C@H]3CCCC[NH2+]3)ccc2NC1=O ZINC000082624107 178139428 /nfs/dbraw/zinc/13/94/28/178139428.db2.gz ICQSMVDOOGYFNQ-CYBMUJFWSA-N 1 0 272.348 2.241 10 0 CEAERO C[C@H](Nc1ncc(Br)cn1)[C@H]1CCC[NH2+]C1 ZINC000082662367 178150704 /nfs/dbraw/zinc/15/07/04/178150704.db2.gz OLAOZZOFWPHBNW-IUCAKERBSA-N 1 0 285.189 2.039 10 0 CEAERO CCn1cc(CN2CCC[N@H+](Cc3ccco3)CC2)cn1 ZINC000121607781 365593597 /nfs/dbraw/zinc/59/35/97/365593597.db2.gz QWLMFXYEZUXPLO-UHFFFAOYSA-N 1 0 288.395 2.204 10 0 CEAERO CCc1sc(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)cc1C ZINC000335483082 212157716 /nfs/dbraw/zinc/15/77/16/212157716.db2.gz JUWUHEPBUZLXAZ-UWVGGRQHSA-N 1 0 252.383 2.038 10 0 CEAERO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccccc1N(C)C)CC2 ZINC000093944303 282117269 /nfs/dbraw/zinc/11/72/69/282117269.db2.gz JIWIPYBTWQMCHM-JSGCOSHPSA-N 1 0 299.422 2.318 10 0 CEAERO CC[NH2+][C@@H](C)C[C@H](C)S(=O)(=O)c1cccs1 ZINC000082798423 178301975 /nfs/dbraw/zinc/30/19/75/178301975.db2.gz PUDMMOQRZNSFSQ-UWVGGRQHSA-N 1 0 261.412 2.298 10 0 CEAERO C[NH2+][C@H](C)C[C@H](C)Sc1nnc(N(C)C)s1 ZINC000082799069 178302234 /nfs/dbraw/zinc/30/22/34/178302234.db2.gz NMVDNIOCANJYJT-SFYZADRCSA-N 1 0 260.432 2.083 10 0 CEAERO C[C@H](C[NH2+][C@H]1CCCOc2ccccc21)N1CCOCC1 ZINC000123430379 365638141 /nfs/dbraw/zinc/63/81/41/365638141.db2.gz XLBUCKZGZPFKNA-ZBFHGGJFSA-N 1 0 290.407 2.211 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1CNc1ncc(Br)cn1 ZINC000082991972 178333198 /nfs/dbraw/zinc/33/31/98/178333198.db2.gz DNZNYUXGBDCBHA-PSASIEDQSA-N 1 0 285.189 2.169 10 0 CEAERO COc1c(C[NH2+]C[C@@]2(C)CCCS2)c(C)nn1C ZINC000124698337 365656427 /nfs/dbraw/zinc/65/64/27/365656427.db2.gz ZFYSNXOHEQWDMB-CYBMUJFWSA-N 1 0 269.414 2.112 10 0 CEAERO COc1ccc([C@@H](O)[C@@H]2CCC[NH2+]2)c(Br)c1 ZINC000082954640 178329826 /nfs/dbraw/zinc/32/98/26/178329826.db2.gz OOBSCOHNQZPDBV-NWDGAFQWSA-N 1 0 286.169 2.243 10 0 CEAERO [NH3+][C@@]1(Cc2cccc(Br)c2)CCOC1 ZINC000083186858 178352294 /nfs/dbraw/zinc/35/22/94/178352294.db2.gz SNMQGGVCRLRSSX-LLVKDONJSA-N 1 0 256.143 2.109 10 0 CEAERO Cc1ccc(C)c([S@](=O)CC2CC[NH2+]CC2)c1 ZINC000083308287 178380431 /nfs/dbraw/zinc/38/04/31/178380431.db2.gz MFFDNRCONGPPOB-KRWDZBQOSA-N 1 0 251.395 2.411 10 0 CEAERO CCC[NH2+][C@@](C)(CO)CN(CCC(C)C)C1CC1 ZINC000096836923 185115856 /nfs/dbraw/zinc/11/58/56/185115856.db2.gz FWXKKTXMPVTAJE-OAHLLOKOSA-N 1 0 256.434 2.248 10 0 CEAERO C[NH2+][C@@](C)(C[C@H](C)[N@H+](CCC(C)C)C1CC1)C(=O)[O-] ZINC000096818537 185116088 /nfs/dbraw/zinc/11/60/88/185116088.db2.gz HQFAWNLBUBYSFW-WFASDCNBSA-N 1 0 270.417 2.338 10 0 CEAERO C[C@@H]1CO[C@H](c2ccccc2Br)C[NH2+]1 ZINC000036673406 361850239 /nfs/dbraw/zinc/85/02/39/361850239.db2.gz HIMIAVYXAVUXDB-KCJUWKMLSA-N 1 0 256.143 2.499 10 0 CEAERO CCNC(=O)C[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000036780331 361856223 /nfs/dbraw/zinc/85/62/23/361856223.db2.gz KDABYFBHFWKMAP-SECBINFHSA-N 1 0 290.285 2.372 10 0 CEAERO CC(C)(C)OC(=O)N[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC000096897238 185125065 /nfs/dbraw/zinc/12/50/65/185125065.db2.gz NWQQIWHYZNQYBV-LLVKDONJSA-N 1 0 254.374 2.433 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 ZINC000037006041 361881221 /nfs/dbraw/zinc/88/12/21/361881221.db2.gz NASKJLXLFKRHAU-LLVKDONJSA-N 1 0 284.743 2.193 10 0 CEAERO CC[C@@H]([NH3+])C(=O)Cc1ccccc1Br ZINC000096957609 185141707 /nfs/dbraw/zinc/14/17/07/185141707.db2.gz OLQCFCBAFGQNIV-SNVBAGLBSA-N 1 0 256.143 2.298 10 0 CEAERO CC[C@@H]1CN(Cc2nc(C)c(C)s2)CC[N@@H+]1CCOC ZINC000176359337 529398462 /nfs/dbraw/zinc/39/84/62/529398462.db2.gz LIGIMPOCRCNFHY-CQSZACIVSA-N 1 0 297.468 2.303 10 0 CEAERO C[C@@H]1CC[C@H](NC(=O)C2CCC([NH3+])CC2)[C@@H](C)C1 ZINC000226196219 539030940 /nfs/dbraw/zinc/03/09/40/539030940.db2.gz WQRTWGDBVQMJSY-CJQNXBEJSA-N 1 0 252.402 2.445 10 0 CEAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1cccc2cnccc21 ZINC000089162889 539031610 /nfs/dbraw/zinc/03/16/10/539031610.db2.gz ZPFSSENCHOUHTL-GDBMZVCRSA-N 1 0 256.349 2.485 10 0 CEAERO Cc1cc(C[NH2+][C@H](C(N)=O)C(C)C)ccc1Br ZINC000072738113 539166020 /nfs/dbraw/zinc/16/60/20/539166020.db2.gz WNRIXMLQCHVZAA-LBPRGKRZSA-N 1 0 299.212 2.357 10 0 CEAERO Cc1ccc(F)cc1C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000226458248 539172303 /nfs/dbraw/zinc/17/23/03/539172303.db2.gz URIZPXUDCOCVPT-CYBMUJFWSA-N 1 0 264.344 2.348 10 0 CEAERO [NH3+][C@@H]1C[C@]12CNc1cc(Cl)c(Br)cc12 ZINC000725247193 539192343 /nfs/dbraw/zinc/19/23/43/539192343.db2.gz JZKHPJWYGMQCFK-NXEZZACHSA-N 1 0 273.561 2.497 10 0 CEAERO [NH3+][C@@H]1C[C@@]12CNc1ccc(Br)c(Cl)c12 ZINC000725247692 539192526 /nfs/dbraw/zinc/19/25/26/539192526.db2.gz UVCTXCZXPHUPRR-GMSGAONNSA-N 1 0 273.561 2.497 10 0 CEAERO CCN1C[C@]2(C[C@@H]2[NH3+])c2cc(Br)ccc21 ZINC000725247752 539192600 /nfs/dbraw/zinc/19/26/00/539192600.db2.gz XATMWTQASIIMGN-NWDGAFQWSA-N 1 0 267.170 2.258 10 0 CEAERO COc1ccc(-c2ccc(C[NH3+])c(F)n2)cc1C=O ZINC000725242414 539190310 /nfs/dbraw/zinc/19/03/10/539190310.db2.gz ASGADOVYQLJUNI-UHFFFAOYSA-N 1 0 260.268 2.168 10 0 CEAERO CC(C)[C@H](C)NC(=O)N[C@@H]1CC[NH2+]CC[C@H]1C(F)(F)F ZINC000725262894 539211975 /nfs/dbraw/zinc/21/19/75/539211975.db2.gz QXJDKIQGELQBLB-HBNTYKKESA-N 1 0 295.349 2.261 10 0 CEAERO CC(C)[C@H](C)C(=O)N[C@H]1CCCC12CC[NH2+]CC2 ZINC000725263893 539212391 /nfs/dbraw/zinc/21/23/91/539212391.db2.gz ADUMIOPOZCLRNZ-STQMWFEESA-N 1 0 252.402 2.317 10 0 CEAERO CCC[C@@H](C)C(=O)N[C@@H]1CCCC12CC[NH2+]CC2 ZINC000725264187 539212736 /nfs/dbraw/zinc/21/27/36/539212736.db2.gz ORCOXLZSNPHICY-CHWSQXEVSA-N 1 0 252.402 2.461 10 0 CEAERO CCC(C)(C)NC(=O)N[C@]12CC[NH2+][C@H]1CCCC2 ZINC000725264412 539212786 /nfs/dbraw/zinc/21/27/86/539212786.db2.gz LZANPJCWALWSEX-SMDDNHRTSA-N 1 0 253.390 2.149 10 0 CEAERO C[C@@H](c1cnn(CC2CCC2)c1)[N@@H+]1CC[C@H](CO)C1 ZINC000725264342 539212949 /nfs/dbraw/zinc/21/29/49/539212949.db2.gz HXRXJKPHYNCFRU-JSGCOSHPSA-N 1 0 263.385 2.058 10 0 CEAERO CC[C@H]1C[C@H]2CC[C@H]([NH+]3CCOCC3)[C@@H](C1)C2=O ZINC000725268237 539214328 /nfs/dbraw/zinc/21/43/28/539214328.db2.gz UQWWCTGFSZUFCE-DGAVXFQQSA-N 1 0 251.370 2.103 10 0 CEAERO CC(C)(C)OC(=O)C1CC2(C1)C[C@H]([NH3+])CCS2 ZINC000725271528 539215444 /nfs/dbraw/zinc/21/54/44/539215444.db2.gz HBINUSGSEYDXJM-RUETXSTFSA-N 1 0 257.399 2.331 10 0 CEAERO CCC(CC)NC(=O)[C@H](C)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000177694413 282209021 /nfs/dbraw/zinc/20/90/21/282209021.db2.gz YMORMBHTAWFHSE-ZFWWWQNUSA-N 1 0 283.460 2.096 10 0 CEAERO C[C@@H](NC(=O)CC1([NH3+])CC1)c1ccc(F)c(F)c1 ZINC000398099903 539261126 /nfs/dbraw/zinc/26/11/26/539261126.db2.gz RVYNIZUPRIDVJW-MRVPVSSYSA-N 1 0 254.280 2.023 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@H]1CCc2ccccc2C1 ZINC000300293466 539269423 /nfs/dbraw/zinc/26/94/23/539269423.db2.gz UWJVRGJAUPPWQX-VBNZEHGJSA-N 1 0 272.392 2.048 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@@H]2CCCC(C)(C)C2)C1 ZINC000133098592 539271624 /nfs/dbraw/zinc/27/16/24/539271624.db2.gz KKUFOGLBHVKVBB-KGLIPLIRSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@H]([NH2+][C@@H]1CCN(C(C)C)C1=O)[C@H]1CC1(C)C ZINC000414107224 529658292 /nfs/dbraw/zinc/65/82/92/529658292.db2.gz YKTRDOCLAHJIFJ-FRRDWIJNSA-N 1 0 252.402 2.410 10 0 CEAERO CCN1CCO[C@H](C[NH2+]Cc2sccc2Cl)C1 ZINC000310263040 539276357 /nfs/dbraw/zinc/27/63/57/539276357.db2.gz ZYEMYWXLGWVHQR-SNVBAGLBSA-N 1 0 274.817 2.212 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@H](C)c2cccc(F)c2F)C1 ZINC000300414585 539278446 /nfs/dbraw/zinc/27/84/46/539278446.db2.gz MTQRGLHKUZIHAI-NEPJUHHUSA-N 1 0 284.350 2.336 10 0 CEAERO CN(C)C[C@@H]([NH2+]CC1=CCCOC1)c1ccccc1 ZINC000126299218 187230585 /nfs/dbraw/zinc/23/05/85/187230585.db2.gz QQDFQGCBOHMTTG-MRXNPFEDSA-N 1 0 260.381 2.226 10 0 CEAERO O[C@@H]1CC[NH2+][C@@H](c2ccc(Br)cc2)C1 ZINC000041326351 362029701 /nfs/dbraw/zinc/02/97/01/362029701.db2.gz GRVIFCLXQLJTDN-GHMZBOCLSA-N 1 0 256.143 2.235 10 0 CEAERO Cc1nc(NCCC2(C[NH3+])CC2)ccc1Br ZINC000395845775 539293376 /nfs/dbraw/zinc/29/33/76/539293376.db2.gz BBIYFJXJHCOFIN-UHFFFAOYSA-N 1 0 284.201 2.115 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000227271676 539293465 /nfs/dbraw/zinc/29/34/65/539293465.db2.gz FFTCIQJCMFRIFI-ZRUFSTJUSA-N 1 0 278.318 2.351 10 0 CEAERO CC[NH+](CC)CCN1CCN2c3ccccc3CC[C@@H]2C1 ZINC000022590438 343379711 /nfs/dbraw/zinc/37/97/11/343379711.db2.gz KCDMRGIXVODWCZ-QGZVFWFLSA-N 1 0 287.451 2.465 10 0 CEAERO Cc1ncsc1C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000046745458 362185880 /nfs/dbraw/zinc/18/58/80/362185880.db2.gz PFLKMASGWVIEMQ-CYBMUJFWSA-N 1 0 289.404 2.484 10 0 CEAERO O=C(Cc1ccccc1)c1ccccc1N1CC(=O)[O+]=N1 ZINC000036469274 343423797 /nfs/dbraw/zinc/42/37/97/343423797.db2.gz NZNDRAORNMFGMB-UHFFFAOYSA-O 1 0 281.291 2.082 10 0 CEAERO COC(=O)[C@H]1C[N@H+](C)CC[C@H]1c1ccc(F)cc1 ZINC000033965864 343418516 /nfs/dbraw/zinc/41/85/16/343418516.db2.gz NTYATEQGMUSJQM-STQMWFEESA-N 1 0 251.301 2.034 10 0 CEAERO Cc1cc(C)cc(OC[C@@H](O)C[NH2+][C@@H](CO)CC(C)C)c1 ZINC000040776866 343438418 /nfs/dbraw/zinc/43/84/18/343438418.db2.gz HVDRHTNQGWYWGF-CVEARBPZSA-N 1 0 295.423 2.040 10 0 CEAERO COc1cc(C[NH2+][C@@H]2CCC[C@H](O)C2)cc(OC)c1 ZINC000037166290 343426047 /nfs/dbraw/zinc/42/60/47/343426047.db2.gz GENFFKDUGGLNKF-OLZOCXBDSA-N 1 0 265.353 2.097 10 0 CEAERO CCOc1cc(C[NH2+][C@@H]2CCC[C@H](O)C2)ccc1OC ZINC000037163706 343426184 /nfs/dbraw/zinc/42/61/84/343426184.db2.gz YPUVZTMPIDHHME-KGLIPLIRSA-N 1 0 279.380 2.487 10 0 CEAERO O=C(Cc1ccc(F)cc1)NCCCC[NH+]1CCCC1 ZINC000044456360 343471935 /nfs/dbraw/zinc/47/19/35/343471935.db2.gz OTEICFNWQFHDJR-UHFFFAOYSA-N 1 0 278.371 2.360 10 0 CEAERO C[C@@H](CCc1ccco1)[NH2+]C[C@@H](O)COCc1ccco1 ZINC000049566448 343537932 /nfs/dbraw/zinc/53/79/32/343537932.db2.gz VEKGHQRRTKUIFP-UONOGXRCSA-N 1 0 293.363 2.361 10 0 CEAERO O[C@H](COCc1ccccc1)C[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000336710698 365773784 /nfs/dbraw/zinc/77/37/84/365773784.db2.gz KVRBJFDPNWUHQK-HRCADAONSA-N 1 0 261.365 2.048 10 0 CEAERO C[C@@H](CCCC[NH3+])Nc1ccncc1Br ZINC000336711771 365775374 /nfs/dbraw/zinc/77/53/74/365775374.db2.gz UQFSPLRUEIPWKI-VIFPVBQESA-N 1 0 272.190 2.195 10 0 CEAERO CC(C)[C@@H](C)NC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000058543752 343644927 /nfs/dbraw/zinc/64/49/27/343644927.db2.gz BQKHCPRXPMCLFL-CQSZACIVSA-N 1 0 269.433 2.452 10 0 CEAERO CC[NH+](CC)CCCN1C(=O)CCc2c(C)nc(C)nc21 ZINC000065289247 343696940 /nfs/dbraw/zinc/69/69/40/343696940.db2.gz UGVHPCYKNSHBTN-UHFFFAOYSA-N 1 0 290.411 2.105 10 0 CEAERO CC[C@@H](C[NH3+])NC(=O)c1ccc(Br)cc1C ZINC000083565851 178582100 /nfs/dbraw/zinc/58/21/00/178582100.db2.gz YYWXOVHRRCPUEU-JTQLQIEISA-N 1 0 285.185 2.225 10 0 CEAERO CC[C@H](O)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000083562670 178581379 /nfs/dbraw/zinc/58/13/79/178581379.db2.gz HJTSMQPVDQMJFD-QWRGUYRKSA-N 1 0 258.159 2.262 10 0 CEAERO CC[C@H](C[NH3+])[C@H](O)c1cc(OC)ccc1Br ZINC000083564117 178581590 /nfs/dbraw/zinc/58/15/90/178581590.db2.gz BECOSNIKFDTUSH-PELKAZGASA-N 1 0 288.185 2.476 10 0 CEAERO Cn1ccc([C@H]([NH3+])Cc2sccc2Br)n1 ZINC000083573207 178582997 /nfs/dbraw/zinc/58/29/97/178582997.db2.gz QJQVOLBOAVOOAC-MRVPVSSYSA-N 1 0 286.198 2.487 10 0 CEAERO CCOc1ccccc1OCCN1CC[NH2+]C[C@@H]1CC ZINC000083586711 178595388 /nfs/dbraw/zinc/59/53/88/178595388.db2.gz VMBMDIGKGZOTKC-AWEZNQCLSA-N 1 0 278.396 2.148 10 0 CEAERO COC(=O)c1csc(CN2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000602450089 347037506 /nfs/dbraw/zinc/03/75/06/347037506.db2.gz HLPIEMDCSNCRRI-ZDUSSCGKSA-N 1 0 294.420 2.205 10 0 CEAERO CC(C)(C)n1cc(C[N@@H+]2CCC[C@H]2CCCO)cn1 ZINC000092785428 344204006 /nfs/dbraw/zinc/20/40/06/344204006.db2.gz NWYFGGLRJYDFRU-AWEZNQCLSA-N 1 0 265.401 2.375 10 0 CEAERO C[NH2+][C@](C)(CO)c1cc(Br)ccc1F ZINC000132177340 344361848 /nfs/dbraw/zinc/36/18/48/344361848.db2.gz XGJTVRGZLHGHGE-SNVBAGLBSA-N 1 0 262.122 2.015 10 0 CEAERO CNC(=[NH2+])c1ncc(Br)cc1Br ZINC000133373567 344368355 /nfs/dbraw/zinc/36/83/55/344368355.db2.gz UCZJMYQCGVGQSP-UHFFFAOYSA-N 1 0 292.962 2.151 10 0 CEAERO CC(C)[C@H]1CN(c2cnc3ccccc3n2)CC[NH2+]1 ZINC000149388234 344415107 /nfs/dbraw/zinc/41/51/07/344415107.db2.gz PSSQVSBKBGZURP-CQSZACIVSA-N 1 0 256.353 2.064 10 0 CEAERO CC(C)c1nc(Br)cc(NN(C)C)[nH+]1 ZINC000160784532 344461237 /nfs/dbraw/zinc/46/12/37/344461237.db2.gz AYEUMLKGFXBEGK-UHFFFAOYSA-N 1 0 259.151 2.251 10 0 CEAERO CC[C@H]([NH3+])CNc1ncc(C)cc1Br ZINC000163490745 344470622 /nfs/dbraw/zinc/47/06/22/344470622.db2.gz VNIABWNGRIDAOG-QMMMGPOBSA-N 1 0 258.163 2.302 10 0 CEAERO CC[C@@H]([NH3+])CNc1ncc(C)cc1Br ZINC000163490839 344470646 /nfs/dbraw/zinc/47/06/46/344470646.db2.gz VNIABWNGRIDAOG-MRVPVSSYSA-N 1 0 258.163 2.302 10 0 CEAERO Cc1cc(C[NH3+])ccc1CN1C(=O)c2ccccc2C1=O ZINC000165086832 344473682 /nfs/dbraw/zinc/47/36/82/344473682.db2.gz LAAJCZARIBNDNQ-UHFFFAOYSA-N 1 0 280.327 2.250 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cccc(-n3cccc3)c2)C1 ZINC000170859543 344491935 /nfs/dbraw/zinc/49/19/35/344491935.db2.gz GUDVJBPUTWSQKA-MRXNPFEDSA-N 1 0 283.375 2.253 10 0 CEAERO C[C@]1(Nc2nc(Br)cs2)CC[NH2+]C1 ZINC000230750796 344573161 /nfs/dbraw/zinc/57/31/61/344573161.db2.gz DOBOZWOIVHBPSU-QMMMGPOBSA-N 1 0 262.176 2.070 10 0 CEAERO [NH3+]Cc1ccc(C(=O)c2occc2Br)o1 ZINC000226659133 344550608 /nfs/dbraw/zinc/55/06/08/344550608.db2.gz KYONGOZLTIKDJC-UHFFFAOYSA-N 1 0 270.082 2.325 10 0 CEAERO C[C@@H]([NH3+])C[S@](=O)c1c(Cl)cccc1Cl ZINC000227966988 344558095 /nfs/dbraw/zinc/55/80/95/344558095.db2.gz YMKKHKGBGFTXNS-RCNPXXIZSA-N 1 0 252.166 2.448 10 0 CEAERO COc1ccc(CN2CCCC[C@H]2C[NH3+])c(F)c1 ZINC000228605760 344562108 /nfs/dbraw/zinc/56/21/08/344562108.db2.gz VUOIDZGPEJCSPA-LBPRGKRZSA-N 1 0 252.333 2.148 10 0 CEAERO CC[C@H]([NH3+])[C@@H](O)c1cc(F)ccc1Br ZINC000234044285 344583764 /nfs/dbraw/zinc/58/37/64/344583764.db2.gz VGZLZTQBPLAPGN-UWVGGRQHSA-N 1 0 262.122 2.359 10 0 CEAERO [NH3+]Cc1cccc(I)c1Cl ZINC000238684497 344607735 /nfs/dbraw/zinc/60/77/35/344607735.db2.gz ZRBWAZSOQGLTLC-UHFFFAOYSA-N 1 0 267.497 2.403 10 0 CEAERO CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000262643034 344655382 /nfs/dbraw/zinc/65/53/82/344655382.db2.gz PVWWSODFALGNQM-REWJHTLYSA-N 1 0 282.428 2.071 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cc4cc(F)ccc4o3)C[C@H]12 ZINC000248634390 344623845 /nfs/dbraw/zinc/62/38/45/344623845.db2.gz PWRYBCBHOXJSLP-JIMOISOXSA-N 1 0 288.322 2.381 10 0 CEAERO CCO[C@@H]1C[C@](CO)([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1(C)C ZINC000249076770 344627949 /nfs/dbraw/zinc/62/79/49/344627949.db2.gz ODSDAOMGSSZVBD-JTTNIQEDSA-N 1 0 285.428 2.098 10 0 CEAERO O[C@H]1CC[C@H]([NH2+]Cc2ccnc(Br)c2)CC1 ZINC000257352140 344647634 /nfs/dbraw/zinc/64/76/34/344647634.db2.gz JJXRUQGFNNZMKV-XYPYZODXSA-N 1 0 285.185 2.237 10 0 CEAERO CCC[N@@H+]1CC[C@@H](c2ccccc2)[C@@H](S(C)(=O)=O)C1 ZINC000257351987 344647640 /nfs/dbraw/zinc/64/76/40/344647640.db2.gz IIOIALXQCCSHAN-GJZGRUSLSA-N 1 0 281.421 2.299 10 0 CEAERO CCCCOC[C@H](O)C[NH2+]Cc1sc(C)nc1C ZINC000311021395 344732909 /nfs/dbraw/zinc/73/29/09/344732909.db2.gz ZEQMIYMDKNVTMW-GFCCVEGCSA-N 1 0 272.414 2.027 10 0 CEAERO CCC[C@@H]1C[C@@H]1[NH2+]CC1(O)CCC(C(=O)OCC)CC1 ZINC000300577154 344700733 /nfs/dbraw/zinc/70/07/33/344700733.db2.gz DMIAEYGMMOBRQZ-IQXANGCESA-N 1 0 283.412 2.249 10 0 CEAERO Cc1c(I)cccc1N[C@@H](C)C[NH3+] ZINC000300998388 344701929 /nfs/dbraw/zinc/70/19/29/344701929.db2.gz XAVQHXLRKQDRDM-ZETCQYMHSA-N 1 0 290.148 2.359 10 0 CEAERO CC(C)([NH3+])[C@H](O)c1ccc(I)cc1 ZINC000306564096 344714678 /nfs/dbraw/zinc/71/46/78/344714678.db2.gz DNHGDAGDDQCLPW-SECBINFHSA-N 1 0 291.132 2.062 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)Cc2ccc(Br)o2)C1 ZINC000306676038 344716212 /nfs/dbraw/zinc/71/62/12/344716212.db2.gz VCCVRZMVDOVDJH-SFYZADRCSA-N 1 0 270.126 2.057 10 0 CEAERO Nc1[nH+]ccn1Cc1cscc1Br ZINC000306731782 344716742 /nfs/dbraw/zinc/71/67/42/344716742.db2.gz GOLQGYKUVIIMKV-UHFFFAOYSA-N 1 0 258.144 2.338 10 0 CEAERO [NH3+][C@H](Cn1cccn1)c1cscc1Br ZINC000306888356 344718286 /nfs/dbraw/zinc/71/82/86/344718286.db2.gz VVDXVOOIJZVJRZ-SECBINFHSA-N 1 0 272.171 2.407 10 0 CEAERO CC(C)(C)[C@@H](O)C[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000324503533 344754192 /nfs/dbraw/zinc/75/41/92/344754192.db2.gz OOPNLFRMSPENDC-STQMWFEESA-N 1 0 287.469 2.428 10 0 CEAERO CCC(CC)(CC)CNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000391311421 344839246 /nfs/dbraw/zinc/83/92/46/344839246.db2.gz XTTINYIGLARQCF-UHFFFAOYSA-N 1 0 283.460 2.003 10 0 CEAERO COc1cc(N[C@@H]2CCC[NH2+][C@@H]2C)c([N+](=O)[O-])cc1C ZINC000380612562 344823086 /nfs/dbraw/zinc/82/30/86/344823086.db2.gz QELDNTWRXWHKBX-GHMZBOCLSA-N 1 0 279.340 2.464 10 0 CEAERO CCN1CCO[C@H](C[NH2+]C/C=C\c2ccccc2)C1 ZINC000381567206 344824839 /nfs/dbraw/zinc/82/48/39/344824839.db2.gz MEQORXWGYGFKKN-CXOKCQFOSA-N 1 0 260.381 2.010 10 0 CEAERO CC(=O)Nc1ccc(NC[C@@H]2C[N@H+](C(C)C)CCO2)cc1 ZINC000083860305 178754954 /nfs/dbraw/zinc/75/49/54/178754954.db2.gz GHVBAVIJGLZVDP-MRXNPFEDSA-N 1 0 291.395 2.166 10 0 CEAERO C[C@@H](C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)N(C)C ZINC000083799397 178748472 /nfs/dbraw/zinc/74/84/72/178748472.db2.gz SMRJXXRZFPUNJB-KBPBESRZSA-N 1 0 299.459 2.173 10 0 CEAERO CC(C)(C)c1nc(CN2CC[C@@H]3OCC[NH2+][C@H]3C2)cs1 ZINC000404095664 344877745 /nfs/dbraw/zinc/87/77/45/344877745.db2.gz XVCMBSCSCGOBKA-STQMWFEESA-N 1 0 295.452 2.003 10 0 CEAERO CC1(C)CCC(C[N@@H+]2CC[C@@H]3OCCN[C@H]3C2)CC1 ZINC000404188269 344878452 /nfs/dbraw/zinc/87/84/52/344878452.db2.gz GRINXYNDHWNVHM-GJZGRUSLSA-N 1 0 266.429 2.266 10 0 CEAERO CCOC(=O)[C@@H](CC)Oc1ccc2c(c1)OC[C@H]2[NH2+]C ZINC000084100551 178789263 /nfs/dbraw/zinc/78/92/63/178789263.db2.gz LKSMEYNNNMOEKW-CHWSQXEVSA-N 1 0 279.336 2.060 10 0 CEAERO CN(CC[NH3+])[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000584595066 344961033 /nfs/dbraw/zinc/96/10/33/344961033.db2.gz OKFBJQJLWRUTRZ-DLBZAZTESA-N 1 0 270.376 2.352 10 0 CEAERO CCOC(OCC)(OCC[NH+](C)C)[Si](C)(C)C ZINC000584607152 344964087 /nfs/dbraw/zinc/96/40/87/344964087.db2.gz ADHCUQKAVBHDEB-UHFFFAOYSA-N 1 0 263.454 2.169 10 0 CEAERO O=C(N[n+]1ccccc1)c1ccccc1Br ZINC000584607993 344964254 /nfs/dbraw/zinc/96/42/54/344964254.db2.gz CAAUMBNQMBKYSE-UHFFFAOYSA-O 1 0 278.129 2.121 10 0 CEAERO C[NH+](C)CC[C@@](O)(Cc1ccccc1)c1ccccn1 ZINC000584629165 344969149 /nfs/dbraw/zinc/96/91/49/344969149.db2.gz JTZCNJNITXCMRR-QGZVFWFLSA-N 1 0 270.376 2.464 10 0 CEAERO CC1CCC2(CC1)CC(=O)N(CCC[NH+](C)C)C(=O)C2 ZINC000584631114 344970077 /nfs/dbraw/zinc/97/00/77/344970077.db2.gz UPPMFWMNJALBLP-UHFFFAOYSA-N 1 0 280.412 2.284 10 0 CEAERO CCOc1ccc([C@H]([NH3+])CC(=O)OC(C)(C)C)cn1 ZINC000584633887 344970700 /nfs/dbraw/zinc/97/07/00/344970700.db2.gz RJIPVLAESROREV-LLVKDONJSA-N 1 0 266.341 2.212 10 0 CEAERO [NH3+]Cc1cc(-c2ccc(C(F)(F)F)cn2)ncn1 ZINC000584637358 344971283 /nfs/dbraw/zinc/97/12/83/344971283.db2.gz RWNIFJVAJMHETA-UHFFFAOYSA-N 1 0 254.215 2.016 10 0 CEAERO OC[C@@H]1CC2(C[N@@H+]1Cc1ccccc1)CCOCC2 ZINC000584640952 344972192 /nfs/dbraw/zinc/97/21/92/344972192.db2.gz WYDQZWPZDDYARE-HNNXBMFYSA-N 1 0 261.365 2.050 10 0 CEAERO CCCO[C@H](COC)C[NH+]1CCN(c2ccccc2)CC1 ZINC000584652197 344973446 /nfs/dbraw/zinc/97/34/46/344973446.db2.gz ORFLVMDCVWLIDQ-KRWDZBQOSA-N 1 0 292.423 2.250 10 0 CEAERO COC(=O)c1ccc(Cl)c(NC(=O)CC(C)(C)[NH3+])c1 ZINC000084167136 178811971 /nfs/dbraw/zinc/81/19/71/178811971.db2.gz HXGCRSCBKMZRLL-UHFFFAOYSA-N 1 0 284.743 2.193 10 0 CEAERO [NH3+]C1(CC(=O)NC[C@H]2C[C@H]3CC[C@@H]2C3)CCCC1 ZINC000084187029 178820071 /nfs/dbraw/zinc/82/00/71/178820071.db2.gz DPFNSDGHAYJZNW-YNEHKIRRSA-N 1 0 250.386 2.200 10 0 CEAERO Cc1cc(N(C)C)ccc1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054306520 362525150 /nfs/dbraw/zinc/52/51/50/362525150.db2.gz PHCYVIKUOKORJZ-CYBMUJFWSA-N 1 0 275.396 2.389 10 0 CEAERO CCC(=O)Nc1ccc(NC(=O)C[C@H]2CCC[NH2+]C2)cc1 ZINC000054307197 362525204 /nfs/dbraw/zinc/52/52/04/362525204.db2.gz HVDLQLJLNZKSCO-GFCCVEGCSA-N 1 0 289.379 2.363 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1cccc(-n2ccnc2)c1 ZINC000054306533 362525250 /nfs/dbraw/zinc/52/52/50/362525250.db2.gz SDNIIQVRRLBYJE-ZDUSSCGKSA-N 1 0 284.363 2.201 10 0 CEAERO CCN(Cc1ccc(OC)cc1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054308041 362526505 /nfs/dbraw/zinc/52/65/05/362526505.db2.gz RCJVIPKOUWJKHX-HNNXBMFYSA-N 1 0 290.407 2.433 10 0 CEAERO CCN1CCC[C@@H]([NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000589644783 345091806 /nfs/dbraw/zinc/09/18/06/345091806.db2.gz SQNQFWXFRSOMPP-GFCCVEGCSA-N 1 0 258.369 2.137 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1Oc1ncc(Br)cn1 ZINC000084242554 178831047 /nfs/dbraw/zinc/83/10/47/178831047.db2.gz GOQZWZRKZNWTMF-WPRPVWTQSA-N 1 0 286.173 2.135 10 0 CEAERO C[NH2+][C@H](C[C@@H](C)COC)c1ccc2c(c1)OCCO2 ZINC000097077984 185522169 /nfs/dbraw/zinc/52/21/69/185522169.db2.gz VKKJWYLXLYDBGV-DGCLKSJQSA-N 1 0 265.353 2.391 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1C[C@@H]1CCOc2ccccc21 ZINC000229187687 539452630 /nfs/dbraw/zinc/45/26/30/539452630.db2.gz NZBPWJROIOQENS-KBPBESRZSA-N 1 0 260.381 2.366 10 0 CEAERO Cc1cccc(S(=O)(=O)[C@@H](CC[NH3+])C(F)(F)F)c1 ZINC000084272426 178838891 /nfs/dbraw/zinc/83/88/91/178838891.db2.gz YNFMYIYRQMXUAT-JTQLQIEISA-N 1 0 281.299 2.048 10 0 CEAERO CC[NH2+][C@@H](C)Cc1c(Br)c(CC)nn1C ZINC000084295855 178848487 /nfs/dbraw/zinc/84/84/87/178848487.db2.gz KYGQBEDZOCUSEN-QMMMGPOBSA-N 1 0 274.206 2.286 10 0 CEAERO CCc1nn(CC)c(C[C@H](C)C[NH3+])c1Br ZINC000084299268 178849149 /nfs/dbraw/zinc/84/91/49/178849149.db2.gz WBPDFZNEOFBKHB-QMMMGPOBSA-N 1 0 274.206 2.365 10 0 CEAERO CC[C@H](O)CC[NH2+][C@@H]1CCN(CCc2ccccc2)C1 ZINC000127392656 187302875 /nfs/dbraw/zinc/30/28/75/187302875.db2.gz MTZHQEFBUMZDQH-SJORKVTESA-N 1 0 276.424 2.054 10 0 CEAERO C[NH2+][C@H](C)C[C@@H](C)Sc1nnnn1C1CCCC1 ZINC000084361093 178869190 /nfs/dbraw/zinc/86/91/90/178869190.db2.gz FBWGVKCHJWOWRS-NXEZZACHSA-N 1 0 269.418 2.267 10 0 CEAERO CCC[NH2+][C@H]1CC[C@H](Sc2n[nH]c(=O)n2C(C)C)C1 ZINC000084435925 178888355 /nfs/dbraw/zinc/88/83/55/178888355.db2.gz RPJIRTYSFJMSFW-QWRGUYRKSA-N 1 0 284.429 2.165 10 0 CEAERO Cc1ccc(S(=O)(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1C ZINC000084429899 178885826 /nfs/dbraw/zinc/88/58/26/178885826.db2.gz MTYYWTQUJSZCGU-STQMWFEESA-N 1 0 267.394 2.347 10 0 CEAERO C[NH2+][C@@H]1CCC[C@@H](Sc2nnnn2C2CCCC2)C1 ZINC000084431338 178886451 /nfs/dbraw/zinc/88/64/51/178886451.db2.gz MJWPCNITRUKIHA-ZYHUDNBSSA-N 1 0 281.429 2.411 10 0 CEAERO CCC[NH2+][C@H]1CCC[C@@H](Sc2nncn2C)C1 ZINC000084431361 178886485 /nfs/dbraw/zinc/88/64/85/178886485.db2.gz AXKIBMUGOOCWIE-WDEREUQCSA-N 1 0 254.403 2.218 10 0 CEAERO CC[NH2+][C@H](CCc1c(C)nn(C)c1C)c1nccn1C ZINC000097191135 185558681 /nfs/dbraw/zinc/55/86/81/185558681.db2.gz ZLSWDQXZWAOHIV-CQSZACIVSA-N 1 0 275.400 2.054 10 0 CEAERO CCC[NH2+]C[C@](C)(O)Cc1cc(C)ccc1OC ZINC000097210064 185565096 /nfs/dbraw/zinc/56/50/96/185565096.db2.gz SEVCUPPILUDLCB-OAHLLOKOSA-N 1 0 251.370 2.297 10 0 CEAERO CC(C)n1ccc(C[C@@H]([NH3+])Cn2cnc3ccccc32)n1 ZINC000097225244 185568316 /nfs/dbraw/zinc/56/83/16/185568316.db2.gz UMWVIGUQPMPAEZ-CYBMUJFWSA-N 1 0 283.379 2.384 10 0 CEAERO CC[NH2+][C@@H](CC[C@@H](C)OC)Cc1ncnn1C(C)C ZINC000097277472 185576806 /nfs/dbraw/zinc/57/68/06/185576806.db2.gz XLKFSPGYEVOGAA-OLZOCXBDSA-N 1 0 268.405 2.195 10 0 CEAERO C[C@H]([NH3+])c1ccc(NC(=O)c2cncc(F)c2)cc1 ZINC000156737907 232237510 /nfs/dbraw/zinc/23/75/10/232237510.db2.gz ZZOZVSIPCLWLKT-VIFPVBQESA-N 1 0 259.284 2.493 10 0 CEAERO C[NH2+][C@H](Cc1nn(C)c2ccccc12)[C@@H]1CCSC1 ZINC000097279351 185578087 /nfs/dbraw/zinc/57/80/87/185578087.db2.gz NHRFBIBAOUYAJG-DGCLKSJQSA-N 1 0 275.421 2.457 10 0 CEAERO CCc1cc(C[C@@H]([NH3+])c2ccc(C)nc2)n(CC)n1 ZINC000097279999 185578135 /nfs/dbraw/zinc/57/81/35/185578135.db2.gz CTCCXNLMCGKSBQ-OAHLLOKOSA-N 1 0 258.369 2.411 10 0 CEAERO [NH3+][C@H](CCc1ccccn1)[C@H]1CCOC2(CCOCC2)C1 ZINC000097310972 185584102 /nfs/dbraw/zinc/58/41/02/185584102.db2.gz POVFVQRXYYCNBI-GOEBONIOSA-N 1 0 290.407 2.317 10 0 CEAERO CC[NH2+][C@@H](Cc1nccn1CC)C[C@H](C)COC ZINC000097304668 185582867 /nfs/dbraw/zinc/58/28/67/185582867.db2.gz IBSFHPYUDFBADP-QWHCGFSZSA-N 1 0 253.390 2.096 10 0 CEAERO CC[NH2+][C@@H](Cc1nccn1C)[C@H]1OCCc2ccccc21 ZINC000097309707 185583165 /nfs/dbraw/zinc/58/31/65/185583165.db2.gz LEBSTELGXSUWPU-RDJZCZTQSA-N 1 0 285.391 2.255 10 0 CEAERO Cc1ccc([C@@H](C)CNC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000162257554 232258278 /nfs/dbraw/zinc/25/82/78/232258278.db2.gz IADCUKUPNYZPNS-HOCLYGCPSA-N 1 0 289.423 2.444 10 0 CEAERO C[C@@H](NC(=O)[C@H]1C[C@H](C)CC[NH2+]1)c1cccs1 ZINC000127509040 187311494 /nfs/dbraw/zinc/31/14/94/187311494.db2.gz UAJGBUMYVZWCOL-GMTAPVOTSA-N 1 0 252.383 2.313 10 0 CEAERO C[C@](O)(CC[NH3+])Cc1ccc(F)c(Br)c1 ZINC000084997039 178941500 /nfs/dbraw/zinc/94/15/00/178941500.db2.gz CXQZAFDFZKJZBT-NSHDSACASA-N 1 0 276.149 2.231 10 0 CEAERO Cn1cc([C@H]2CCC[N@@H+]2C[C@](C)(O)c2ccccc2)cn1 ZINC000173654745 232281479 /nfs/dbraw/zinc/28/14/79/232281479.db2.gz SEDGXKLXADLYML-SJORKVTESA-N 1 0 285.391 2.465 10 0 CEAERO CC(C)([NH3+])[C@H](CCO)c1ccccc1OC(F)F ZINC000097434522 185603270 /nfs/dbraw/zinc/60/32/70/185603270.db2.gz BXYNRXRHDALVTP-SNVBAGLBSA-N 1 0 259.296 2.491 10 0 CEAERO C[C@@H]1CC[C@H](NC(=O)CC2CC[NH2+]CC2)C[C@@H]1C ZINC000085058895 178945370 /nfs/dbraw/zinc/94/53/70/178945370.db2.gz MMKQAULPJJYXOQ-DYEKYZERSA-N 1 0 252.402 2.317 10 0 CEAERO CCC[C@@H](C(=O)Nc1cc(-c2ccncc2)[nH]n1)[NH+](C)C ZINC000128297189 187362973 /nfs/dbraw/zinc/36/29/73/187362973.db2.gz VLJBIAYGCOFUMT-ZDUSSCGKSA-N 1 0 287.367 2.141 10 0 CEAERO CC[C@@H](CSC)NC(=O)C1CCC(C[NH3+])CC1 ZINC000097467527 185611600 /nfs/dbraw/zinc/61/16/00/185611600.db2.gz WEHDWBQSSCAICM-MCIGGMRASA-N 1 0 258.431 2.009 10 0 CEAERO CC(C)n1ccc(COc2ccccc2C(N)=[NH2+])n1 ZINC000085161931 178960963 /nfs/dbraw/zinc/96/09/63/178960963.db2.gz FRQGPCYMSACJNZ-UHFFFAOYSA-N 1 0 258.325 2.327 10 0 CEAERO C[C@H]([NH3+])c1cnn(Cc2ccn(C3CCCC3)n2)c1 ZINC000085185872 178967220 /nfs/dbraw/zinc/96/72/20/178967220.db2.gz CHIILEIJMRBBKM-NSHDSACASA-N 1 0 259.357 2.263 10 0 CEAERO CC[NH2+][C@](C)(CO)CN(CC)c1cccc(F)c1 ZINC000085241990 178983948 /nfs/dbraw/zinc/98/39/48/178983948.db2.gz PAUDUERHYYAYTR-AWEZNQCLSA-N 1 0 254.349 2.013 10 0 CEAERO CC(C)([C@H](CC1CCOCC1)NN)[NH+]1CCCCCC1 ZINC000097582467 185629819 /nfs/dbraw/zinc/62/98/19/185629819.db2.gz BISNUPUXJQHMOG-HNNXBMFYSA-N 1 0 283.460 2.290 10 0 CEAERO CC[C@@](C)([C@H](NN)c1cnccc1C)[NH+]1CCCC1 ZINC000097584713 185631638 /nfs/dbraw/zinc/63/16/38/185631638.db2.gz OVHDISNHUVDVRX-CABCVRRESA-N 1 0 262.401 2.159 10 0 CEAERO CCC(CC)([C@@H](NN)C1=COCCC1)[NH+]1CCCC1 ZINC000097587099 185632699 /nfs/dbraw/zinc/63/26/99/185632699.db2.gz NPZGPQGGKSRUST-AWEZNQCLSA-N 1 0 267.417 2.167 10 0 CEAERO Cc1cccc(C)c1OC[C@@](C)(CO)[NH2+]C(C)C ZINC000085283198 179000685 /nfs/dbraw/zinc/00/06/85/179000685.db2.gz PPUJDLOVKHXLCV-OAHLLOKOSA-N 1 0 251.370 2.431 10 0 CEAERO [NH3+][C@@](CO)(COc1ccccc1F)c1ccccc1 ZINC000085284434 179002051 /nfs/dbraw/zinc/00/20/51/179002051.db2.gz QECJLHFVVWETAU-HNNXBMFYSA-N 1 0 261.296 2.051 10 0 CEAERO C[C@@H](C[C@](C)(CO)[NH2+]C1CC1)Oc1ccccc1F ZINC000085284448 179002074 /nfs/dbraw/zinc/00/20/74/179002074.db2.gz IJFOBSZKVCGLLD-XHDPSFHLSA-N 1 0 267.344 2.486 10 0 CEAERO CC[NH2+][C@](CO)(COc1ccc(CC)cc1)C1CC1 ZINC000085284068 179002265 /nfs/dbraw/zinc/00/22/65/179002265.db2.gz NESUGHRIBQOUEU-MRXNPFEDSA-N 1 0 263.381 2.378 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCCn1ccc(C(F)(F)F)n1 ZINC000085264366 178994858 /nfs/dbraw/zinc/99/48/58/178994858.db2.gz MVECOODXDKNSIT-LLVKDONJSA-N 1 0 279.306 2.043 10 0 CEAERO C[NH2+][C@](C)(CO)CCCOc1cc(F)cc(F)c1 ZINC000085265210 178995566 /nfs/dbraw/zinc/99/55/66/178995566.db2.gz YCGFAILMMAKODI-ZDUSSCGKSA-N 1 0 259.296 2.094 10 0 CEAERO CC[NH2+][C@@](CO)(COc1cccc(F)c1F)C1CC1 ZINC000085266285 178996604 /nfs/dbraw/zinc/99/66/04/178996604.db2.gz RBMIFFNEGIMKIW-AWEZNQCLSA-N 1 0 271.307 2.094 10 0 CEAERO C[C@]([NH3+])(CO)CCCOc1cccc2cccnc21 ZINC000085282582 178999887 /nfs/dbraw/zinc/99/98/87/178999887.db2.gz WRELSGBGAAZYCV-OAHLLOKOSA-N 1 0 260.337 2.104 10 0 CEAERO CCc1ccccc1OCC[C@@H](CO)[NH2+]C(C)C ZINC000085286434 179003818 /nfs/dbraw/zinc/00/38/18/179003818.db2.gz YQXLICCQDAHSDJ-AWEZNQCLSA-N 1 0 251.370 2.377 10 0 CEAERO Cc1cc(C)c(C)c(OC[C@@H](CO)[NH2+]C(C)C)c1 ZINC000085286121 179004140 /nfs/dbraw/zinc/00/41/40/179004140.db2.gz PQIXGWSGKSMHLB-CQSZACIVSA-N 1 0 251.370 2.350 10 0 CEAERO CC(C)[NH2+][C@@H](CO)CCOc1ccc(F)c(F)c1 ZINC000085286781 179004542 /nfs/dbraw/zinc/00/45/42/179004542.db2.gz FBVDLPBTHQYTJY-SNVBAGLBSA-N 1 0 259.296 2.093 10 0 CEAERO CCC[NH2+][C@@](C)(CO)C[C@H](C)Sc1cc(C)nn1C ZINC000085289564 179005687 /nfs/dbraw/zinc/00/56/87/179005687.db2.gz LQKWSRQPUHPIFK-GXTWGEPZSA-N 1 0 285.457 2.350 10 0 CEAERO Cc1ccccc1CSC[C@@H](CO)[NH2+]C1CC1 ZINC000085289348 179005790 /nfs/dbraw/zinc/00/57/90/179005790.db2.gz WXKFOCZQPYKCKY-CQSZACIVSA-N 1 0 251.395 2.341 10 0 CEAERO CCC[NH2+][C@@](C)(CO)C[C@H](C)SC1CCOCC1 ZINC000085290217 179006471 /nfs/dbraw/zinc/00/64/71/179006471.db2.gz YHYDQJUPPHZBNZ-GXTWGEPZSA-N 1 0 275.458 2.428 10 0 CEAERO COCCSC[C@@](CO)([NH2+]C1CC1)c1ccccc1 ZINC000085298012 179009150 /nfs/dbraw/zinc/00/91/50/179009150.db2.gz JGKRQHAZNVAOSC-OAHLLOKOSA-N 1 0 281.421 2.006 10 0 CEAERO C[C@](CO)(CCOc1ccc(F)cc1)[NH2+]C1CC1 ZINC000085285160 179002851 /nfs/dbraw/zinc/00/28/51/179002851.db2.gz OAZFAAHZOYNUHH-CQSZACIVSA-N 1 0 253.317 2.098 10 0 CEAERO Cc1cc(C)cc(OC[C@@](C)(CO)[NH2+]C(C)C)c1 ZINC000085284780 179003012 /nfs/dbraw/zinc/00/30/12/179003012.db2.gz SVKSZQNAYYTGIW-OAHLLOKOSA-N 1 0 251.370 2.431 10 0 CEAERO CN(CCCC[C@](C)(O)C[NH3+])c1ccccc1F ZINC000085303584 179010802 /nfs/dbraw/zinc/01/08/02/179010802.db2.gz MVPFYXXYFSYJNM-AWEZNQCLSA-N 1 0 254.349 2.142 10 0 CEAERO C[C@H](C[NH3+])SCC(=O)N[C@H](C)c1cccs1 ZINC000085306334 179012431 /nfs/dbraw/zinc/01/24/31/179012431.db2.gz ORJLIKBAIYKZOL-RKDXNWHRSA-N 1 0 258.412 2.006 10 0 CEAERO [NH3+]C[C@@](O)(COc1ccccc1C(F)(F)F)C1CC1 ZINC000085306373 179012568 /nfs/dbraw/zinc/01/25/68/179012568.db2.gz RSPFOTGQOZHZMU-GFCCVEGCSA-N 1 0 275.270 2.184 10 0 CEAERO C[C@@](O)(C[NH3+])CCCSc1nc2ccccc2[nH]1 ZINC000085308461 179013240 /nfs/dbraw/zinc/01/32/40/179013240.db2.gz GOHNGXHWZRKGSR-ZDUSSCGKSA-N 1 0 265.382 2.145 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1ccc(F)c(F)c1 ZINC000085356626 179030991 /nfs/dbraw/zinc/03/09/91/179030991.db2.gz ISHPVANHFNFTJX-SKDRFNHKSA-N 1 0 254.280 2.421 10 0 CEAERO CN(C)c1c(Cl)cccc1NC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085359618 179031926 /nfs/dbraw/zinc/03/19/26/179031926.db2.gz NUDQOPGEMSRELY-GXSJLCMTSA-N 1 0 281.787 2.472 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000085362912 179033991 /nfs/dbraw/zinc/03/39/91/179033991.db2.gz UKFIHYPNWPWRPW-QMSHFQNASA-N 1 0 262.397 2.055 10 0 CEAERO CCC(=O)Nc1cccc(NC(=O)[C@H]2CCC[C@H]2[NH3+])c1C ZINC000085364572 179035528 /nfs/dbraw/zinc/03/55/28/179035528.db2.gz VGYMAEOZBWAXPM-NWDGAFQWSA-N 1 0 289.379 2.409 10 0 CEAERO COCCN(Cc1ccccc1)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085366519 179036935 /nfs/dbraw/zinc/03/69/35/179036935.db2.gz FSKCXLOWUAEFLY-HZPDHXFCSA-N 1 0 290.407 2.179 10 0 CEAERO COc1cccc(CN(C)C(=O)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000085366448 179036998 /nfs/dbraw/zinc/03/69/98/179036998.db2.gz UKBITTLWISRQCT-GJZGRUSLSA-N 1 0 276.380 2.171 10 0 CEAERO CN(Cc1cccc(Cl)c1)C(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085366692 179037153 /nfs/dbraw/zinc/03/71/53/179037153.db2.gz KBDYRYRQZLPOAV-QWHCGFSZSA-N 1 0 266.772 2.426 10 0 CEAERO CN(CCOc1ccc(F)cc1)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085367334 179037632 /nfs/dbraw/zinc/03/76/32/179037632.db2.gz DFVSLFODGYIBBT-HUUCEWRRSA-N 1 0 294.370 2.180 10 0 CEAERO CCCCN(CC(F)(F)F)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085368405 179038296 /nfs/dbraw/zinc/03/82/96/179038296.db2.gz DCIVDUSWAXKSGN-UWVGGRQHSA-N 1 0 266.307 2.305 10 0 CEAERO COc1ccccc1CN(C(=O)[C@H]1CCC[C@H]1[NH3+])C1CC1 ZINC000085368817 179038451 /nfs/dbraw/zinc/03/84/51/179038451.db2.gz PPHHDHOWZDHKES-LSDHHAIUSA-N 1 0 288.391 2.314 10 0 CEAERO CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085368795 179038665 /nfs/dbraw/zinc/03/86/65/179038665.db2.gz FWUROERHZUPXSA-FZMZJTMJSA-N 1 0 282.334 2.441 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)NCCSc1ccccc1 ZINC000085369582 179039388 /nfs/dbraw/zinc/03/93/88/179039388.db2.gz OJNKNMDALLQNIV-ZIAGYGMSSA-N 1 0 278.421 2.412 10 0 CEAERO CCC(=O)Nc1cccc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000085370842 179040567 /nfs/dbraw/zinc/04/05/67/179040567.db2.gz XGBLOHBPAJRTJM-CHWSQXEVSA-N 1 0 275.352 2.101 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)N(CC(F)(F)F)C1CC1 ZINC000085372868 179042399 /nfs/dbraw/zinc/04/23/99/179042399.db2.gz GHKVWGTURXYHKB-UWVGGRQHSA-N 1 0 264.291 2.057 10 0 CEAERO CCN(C(=O)[C@H]1CCC[C@H]1[NH3+])c1ccc(F)cc1 ZINC000085373637 179042766 /nfs/dbraw/zinc/04/27/66/179042766.db2.gz DAJSYAMPXKDVGC-QWHCGFSZSA-N 1 0 250.317 2.306 10 0 CEAERO C[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085374765 179043411 /nfs/dbraw/zinc/04/34/11/179043411.db2.gz RJAKDQJTUHVOCG-SNPRPXQTSA-N 1 0 260.381 2.251 10 0 CEAERO CC1CCC(CCNC(=O)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085375963 179044274 /nfs/dbraw/zinc/04/42/74/179044274.db2.gz IRVMWOPDOHPSOO-HOAMVYINSA-N 1 0 252.402 2.446 10 0 CEAERO CC(C)CCOCCN1CC[NH2+][C@H](C(C)(C)C)C1 ZINC000085434919 179061089 /nfs/dbraw/zinc/06/10/89/179061089.db2.gz FEANSUKQRVNKTB-AWEZNQCLSA-N 1 0 256.434 2.369 10 0 CEAERO CC(C)C[C@H]1CN(Cc2ccn(C(C)C)n2)CC[NH2+]1 ZINC000085435066 179061480 /nfs/dbraw/zinc/06/14/80/179061480.db2.gz KASWZWRSEBKNRQ-HNNXBMFYSA-N 1 0 264.417 2.284 10 0 CEAERO CC(C)[C@H]1CN(Cc2cccnc2)[C@H](C2CC2)C[NH2+]1 ZINC000085467194 179072271 /nfs/dbraw/zinc/07/22/71/179072271.db2.gz CVBZMLPUOJDCHG-CVEARBPZSA-N 1 0 259.397 2.290 10 0 CEAERO CC[C@H](C)[C@H]1C[NH2+]CCN1CCOCCC(C)C ZINC000085452707 179066337 /nfs/dbraw/zinc/06/63/37/179066337.db2.gz CBBOTTGUFFPEHV-LSDHHAIUSA-N 1 0 256.434 2.369 10 0 CEAERO CCC[C@H]1C[NH2+][C@H](C)CN1CCOCC(F)(F)F ZINC000085453415 179067098 /nfs/dbraw/zinc/06/70/98/179067098.db2.gz UPMMIVJEDGVXOZ-MNOVXSKESA-N 1 0 268.323 2.028 10 0 CEAERO CCC[C@H]1CN(Cc2cnn(C)c2)[C@H](C(C)C)C[NH2+]1 ZINC000085455259 179067625 /nfs/dbraw/zinc/06/76/25/179067625.db2.gz GHHDWROEJKAYDP-GJZGRUSLSA-N 1 0 264.417 2.019 10 0 CEAERO CCC[C@H]1CN(Cc2cccnc2)[C@H](C2CC2)C[NH2+]1 ZINC000085455347 179067799 /nfs/dbraw/zinc/06/77/99/179067799.db2.gz ZXIUONZQXRALHQ-HOTGVXAUSA-N 1 0 259.397 2.434 10 0 CEAERO CC[C@@H]1CN(Cc2cn3ccccc3n2)[C@@H](CC)C[NH2+]1 ZINC000085472464 179077069 /nfs/dbraw/zinc/07/70/69/179077069.db2.gz HJKJNEPHJGTISM-HIFRSBDPSA-N 1 0 272.396 2.297 10 0 CEAERO CC(C)(C)[C@H]1C[N@H+](C[C@@H]2CCOC2)[C@H](C2CC2)CN1 ZINC000085476265 179079807 /nfs/dbraw/zinc/07/98/07/179079807.db2.gz CQMGQCMYCAUZII-AEGPPILISA-N 1 0 266.429 2.121 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1CNc1ncncc1Br ZINC000085480863 179080291 /nfs/dbraw/zinc/08/02/91/179080291.db2.gz FMGLDZZQRPXGHO-DTWKUNHWSA-N 1 0 285.189 2.026 10 0 CEAERO C[C@@H]1C[NH2+][C@H](Cc2ccccc2)CN1CC(F)F ZINC000085489118 179080903 /nfs/dbraw/zinc/08/09/03/179080903.db2.gz KRPYSCUEBXDQEL-DGCLKSJQSA-N 1 0 254.324 2.157 10 0 CEAERO CC(C)C[C@@H]1C[NH2+]C(C)(C)CN1Cc1ncccn1 ZINC000085470423 179075554 /nfs/dbraw/zinc/07/55/54/179075554.db2.gz QXVIERYRKCFVOV-CYBMUJFWSA-N 1 0 262.401 2.075 10 0 CEAERO CC[C@]1(C)CNC(C)(C)C[N@@H+]1C[C@@H]1CCCCO1 ZINC000085471229 179076355 /nfs/dbraw/zinc/07/63/55/179076355.db2.gz SHBOAAAPHFHRBJ-DZGCQCFKSA-N 1 0 254.418 2.408 10 0 CEAERO CC(C)(C)[C@@H]1C[NH2+]C(C)(C)CN1Cc1ncccn1 ZINC000085470795 179076623 /nfs/dbraw/zinc/07/66/23/179076623.db2.gz FZHYSBZLMWVQLG-LBPRGKRZSA-N 1 0 262.401 2.075 10 0 CEAERO CC1(C)C[NH2+][C@@](C)(C2CC2)CN1CCOCC(F)(F)F ZINC000085514418 179086217 /nfs/dbraw/zinc/08/62/17/179086217.db2.gz SILRAVOEKAPOMP-CYBMUJFWSA-N 1 0 294.361 2.418 10 0 CEAERO CC(C)OCCN1C[C@](C)(C2CC2)[NH2+]CC1(C)C ZINC000085514359 179086754 /nfs/dbraw/zinc/08/67/54/179086754.db2.gz FCFKBJKUNACQMI-OAHLLOKOSA-N 1 0 254.418 2.264 10 0 CEAERO CC[C@H]1CNC(CC)(CC)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085517506 179087538 /nfs/dbraw/zinc/08/75/38/179087538.db2.gz YYQXWRHDBIRVJN-KBPBESRZSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C2CC2)CN1C[C@@H]1CCCCO1 ZINC000085522634 179088530 /nfs/dbraw/zinc/08/85/30/179088530.db2.gz IGTXYZYCTIZQRB-SOUVJXGZSA-N 1 0 252.402 2.018 10 0 CEAERO CCC[C@H]1C[NH2+][C@@](C)(CC)CN1Cc1cnn(C)c1 ZINC000085495265 179082590 /nfs/dbraw/zinc/08/25/90/179082590.db2.gz FXQJGQCNBGQCKW-GJZGRUSLSA-N 1 0 264.417 2.163 10 0 CEAERO COCC[N@@H+]1C[C@@H](c2ccccc2)NC[C@@H]1C(C)C ZINC000085506369 179084039 /nfs/dbraw/zinc/08/40/39/179084039.db2.gz SJEVIJIKIBIPME-JKSUJKDBSA-N 1 0 262.397 2.304 10 0 CEAERO CC[C@H]1C[NH2+][C@H](c2ccccc2)CN1[C@@H]1CCOC1 ZINC000085505354 179084087 /nfs/dbraw/zinc/08/40/87/179084087.db2.gz CZIFTJKVRIRLNV-XHSDSOJGSA-N 1 0 260.381 2.200 10 0 CEAERO Cc1nccn1CCN1C[C@@H](c2ccccc2)[NH2+]C[C@@H]1C ZINC000085504551 179084326 /nfs/dbraw/zinc/08/43/26/179084326.db2.gz LWVUIKVDXCUNKJ-YOEHRIQHSA-N 1 0 284.407 2.227 10 0 CEAERO CCC[C@@H]1C[NH2+]C2(CCCCC2)CN1CCOC ZINC000085502910 179084457 /nfs/dbraw/zinc/08/44/57/179084457.db2.gz PJCIYQDDCZECPO-CQSZACIVSA-N 1 0 254.418 2.410 10 0 CEAERO CC(C)(C)c1nc2c(n1C[C@H]1CCCCO1)CC[NH2+]C2 ZINC000085572431 179097702 /nfs/dbraw/zinc/09/77/02/179097702.db2.gz VBJFXFCICPNHAR-GFCCVEGCSA-N 1 0 277.412 2.395 10 0 CEAERO CC[C@H](C)[C@@H]1C[NH2+][C@H](C2CC2)CN1Cc1ncccn1 ZINC000085525058 179089207 /nfs/dbraw/zinc/08/92/07/179089207.db2.gz YXBJNDKVBGWKSC-QEJZJMRPSA-N 1 0 274.412 2.075 10 0 CEAERO CC(C)(C)[C@@H]1C[NH2+][C@H](C2CC2)CN1Cc1ncccn1 ZINC000085526760 179089673 /nfs/dbraw/zinc/08/96/73/179089673.db2.gz VYDYOYVVMAMLBC-KBPBESRZSA-N 1 0 274.412 2.075 10 0 CEAERO CC(C)(C)[C@H]1C[NH2+][C@H](C2CC2)CN1C[C@@H]1CCCO1 ZINC000085526817 179089712 /nfs/dbraw/zinc/08/97/12/179089712.db2.gz JYNSRVLXRWPJJW-SOUVJXGZSA-N 1 0 266.429 2.264 10 0 CEAERO CC(C)(C)[C@H]1CN[C@@H](C2CC2)C[N@@H+]1CCCn1ccnc1 ZINC000085526618 179089757 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251.370 2.379 10 0 CEAERO CC[NH2+][C@@H](CCO)CN(C)C1CCC(CC)CC1 ZINC000085922231 179200500 /nfs/dbraw/zinc/20/05/00/179200500.db2.gz KIBXFKBNTBGWBL-SLTAFYQDSA-N 1 0 256.434 2.248 10 0 CEAERO C[NH2+][C@@H](CCO)COc1ccc(C(C)(C)C)cc1 ZINC000085924440 179201696 /nfs/dbraw/zinc/20/16/96/179201696.db2.gz NEXVWAIXODWAMO-ZDUSSCGKSA-N 1 0 251.370 2.333 10 0 CEAERO CC[NH2+][C@@H](CCO)Cn1cnc2cc(C)c(C)cc21 ZINC000085923312 179201736 /nfs/dbraw/zinc/20/17/36/179201736.db2.gz WFDKDRVEVWYOGU-ZDUSSCGKSA-N 1 0 261.369 2.014 10 0 CEAERO Cc1ncsc1CC[NH2+]C[C@H]1CCCC[C@H]1O ZINC000085987376 179212752 /nfs/dbraw/zinc/21/27/52/179212752.db2.gz SAKTUVJASVGUTG-VXGBXAGGSA-N 1 0 254.399 2.135 10 0 CEAERO C[C@H](O)CC[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000085990752 179213586 /nfs/dbraw/zinc/21/35/86/179213586.db2.gz JZEXKJVYICRSQN-LRDDRELGSA-N 1 0 259.349 2.234 10 0 CEAERO CCC[NH2+][C@@H]1CC[C@@H](Sc2nc(C)cc(=O)[nH]2)[C@@H]1C ZINC000086044842 179223005 /nfs/dbraw/zinc/22/30/05/179223005.db2.gz 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ZINC000086128061 179235889 /nfs/dbraw/zinc/23/58/89/179235889.db2.gz JYQHSXGYHWGFNN-MRXNPFEDSA-N 1 0 262.372 2.442 10 0 CEAERO Cc1ccc(C[NH2+]CCNCC(F)(F)F)s1 ZINC000086136819 179236624 /nfs/dbraw/zinc/23/66/24/179236624.db2.gz WLDVZEPRYNNKIY-UHFFFAOYSA-N 1 0 252.305 2.298 10 0 CEAERO C[C@@H]1CC[C@@H](NC(=O)C2CCC(C[NH3+])CC2)[C@@H]1C ZINC000086082310 179227951 /nfs/dbraw/zinc/22/79/51/179227951.db2.gz HHXIYERLMSCTGN-KPHYFBGPSA-N 1 0 252.402 2.302 10 0 CEAERO CC[C@@H]1CC[C@H](NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])[C@@H]1C ZINC000086094546 179228783 /nfs/dbraw/zinc/22/87/83/179228783.db2.gz LQJQOVWAAHKJDE-POQQGIQPSA-N 1 0 252.402 2.445 10 0 CEAERO CC[C@H]1CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)[C@@H]1C ZINC000086095690 179229619 /nfs/dbraw/zinc/22/96/19/179229619.db2.gz LXHRTGGCFYHCIC-KXUCPTDWSA-N 1 0 266.307 2.079 10 0 CEAERO CC(C)C[C@@H]1CN(c2cnn(C(C)C)c2)CC[NH2+]1 ZINC000086148302 179239974 /nfs/dbraw/zinc/23/99/74/179239974.db2.gz DRVFVGPQCQRQJN-CYBMUJFWSA-N 1 0 250.390 2.288 10 0 CEAERO CC[C@H](C)[C@@H]1CN([C@@H]2COc3ccccc32)CC[NH2+]1 ZINC000086150070 179240315 /nfs/dbraw/zinc/24/03/15/179240315.db2.gz INXRMGAHXNUSRZ-AEGPPILISA-N 1 0 260.381 2.440 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C)CN1CCc1ccc2c(c1)OCCO2 ZINC000086151957 179240498 /nfs/dbraw/zinc/24/04/98/179240498.db2.gz QBBKPYTVASZYLC-UKRRQHHQSA-N 1 0 290.407 2.073 10 0 CEAERO CC(C)C[C@@H]1CN(CCc2cscn2)CC[NH2+]1 ZINC000086149477 179240725 /nfs/dbraw/zinc/24/07/25/179240725.db2.gz LZIJFVVIWGUMKN-CYBMUJFWSA-N 1 0 253.415 2.006 10 0 CEAERO C[C@H]1CN([C@@H]2CCCOC2)[C@H](c2ccccc2)C[NH2+]1 ZINC000086175667 179245659 /nfs/dbraw/zinc/24/56/59/179245659.db2.gz KOKZPVZGRBIPFI-IMJJTQAJSA-N 1 0 260.381 2.200 10 0 CEAERO Cc1cnc(CN2C[C@H](C(C)C)[NH2+]C[C@@H]2C(C)C)cn1 ZINC000086174980 179245679 /nfs/dbraw/zinc/24/56/79/179245679.db2.gz HAXMAJCZGLZAPW-HZPDHXFCSA-N 1 0 276.428 2.239 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@@H](C)CN1CCc1nccs1 ZINC000086175435 179245943 /nfs/dbraw/zinc/24/59/43/179245943.db2.gz AKOXQQPQHKMIHG-RYUDHWBXSA-N 1 0 253.415 2.004 10 0 CEAERO Cc1ncsc1CN1CC[NH2+][C@@H](CC(C)C)C1 ZINC000086149053 179239442 /nfs/dbraw/zinc/23/94/42/179239442.db2.gz CWZDIOGYPNPWRD-LBPRGKRZSA-N 1 0 253.415 2.271 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(C[C@@H]2Cc3ccccc3O2)CC[NH2+]1 ZINC000086146960 179239627 /nfs/dbraw/zinc/23/96/27/179239627.db2.gz PIRBNHAKBOKMAU-KBMXLJTQSA-N 1 0 274.408 2.310 10 0 CEAERO Cn1cc(N2C[C@H](C3CC3)[NH2+]C[C@@H]2c2ccccc2)cn1 ZINC000086218320 179249838 /nfs/dbraw/zinc/24/98/38/179249838.db2.gz NMQHARJLQWPAIA-IAGOWNOFSA-N 1 0 282.391 2.350 10 0 CEAERO C[C@@H]([C@@H]1CCCO1)N1CC2(CCCC2)[NH2+]C[C@@H]1C ZINC000086218233 179250138 /nfs/dbraw/zinc/25/01/38/179250138.db2.gz ULDDFNOGIZMHCM-IHRRRGAJSA-N 1 0 252.402 2.160 10 0 CEAERO CCC[C@@H]1C[N@H+](C2CCOCC2)[C@H](C(C)C)CN1 ZINC000086218862 179250297 /nfs/dbraw/zinc/25/02/97/179250297.db2.gz MIOKBQPWTSNTQM-HIFRSBDPSA-N 1 0 254.418 2.264 10 0 CEAERO C[C@H]1C[NH2+][C@H](C(C)(C)C)CN1Cc1nccs1 ZINC000086226891 179253790 /nfs/dbraw/zinc/25/37/90/179253790.db2.gz NIHDAYSSEBHISE-QWRGUYRKSA-N 1 0 253.415 2.352 10 0 CEAERO CC[C@H]1C[NH2+][C@@](C)(CC)CN1Cc1nccs1 ZINC000086226855 179253912 /nfs/dbraw/zinc/25/39/12/179253912.db2.gz DTKJKWWSNIUAPS-AAEUAGOBSA-N 1 0 253.415 2.496 10 0 CEAERO CC(C)(O)CCOc1c(Br)cccc1C[NH3+] ZINC000086234401 179254255 /nfs/dbraw/zinc/25/42/55/179254255.db2.gz YEHQVIXLUQGWSV-UHFFFAOYSA-N 1 0 288.185 2.448 10 0 CEAERO COCc1nc(CN[C@@H](C)C[NH+]2CCCCC2)cs1 ZINC000608053638 347558159 /nfs/dbraw/zinc/55/81/59/347558159.db2.gz VSDLRHYDKBBFDR-LBPRGKRZSA-N 1 0 283.441 2.254 10 0 CEAERO Cc1cc(CN2CC3(CCCCC3)[NH2+]C[C@@H]2C)no1 ZINC000086259801 179258957 /nfs/dbraw/zinc/25/89/57/179258957.db2.gz HMEHCYUKACCSKA-LBPRGKRZSA-N 1 0 263.385 2.480 10 0 CEAERO Cc1nccc(CN2CC3(CCCCC3)[NH2+]C[C@@H]2C)n1 ZINC000086260205 179259113 /nfs/dbraw/zinc/25/91/13/179259113.db2.gz HZEVAFKIYVLBPH-ZDUSSCGKSA-N 1 0 274.412 2.282 10 0 CEAERO CC(C)[C@H]1CN[C@H](C2CC2)C[N@@H+]1C[C@@H]1CCCOC1 ZINC000086260102 179259315 /nfs/dbraw/zinc/25/93/15/179259315.db2.gz MGLAEOUXNUXQAV-CWRNSKLLSA-N 1 0 266.429 2.121 10 0 CEAERO CC[C@H]1C[NH2+][C@@](C)(CC)CN1Cc1ccnc(C)n1 ZINC000086260218 179259553 /nfs/dbraw/zinc/25/95/53/179259553.db2.gz HIAULZAPSVEHLT-GJZGRUSLSA-N 1 0 262.401 2.138 10 0 CEAERO CC[C@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1cc(C)on1 ZINC000086259782 179259570 /nfs/dbraw/zinc/25/95/70/179259570.db2.gz XYNHLVIWVLNYER-GJZGRUSLSA-N 1 0 263.385 2.336 10 0 CEAERO CC[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1cnc(C)cn1 ZINC000086263053 179260002 /nfs/dbraw/zinc/26/00/02/179260002.db2.gz YILAOMKXRMCSQS-HZPDHXFCSA-N 1 0 274.412 2.138 10 0 CEAERO CC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1cnc(C)cn1 ZINC000086263055 179260049 /nfs/dbraw/zinc/26/00/49/179260049.db2.gz YILAOMKXRMCSQS-CVEARBPZSA-N 1 0 274.412 2.138 10 0 CEAERO CO[C@H]1CCC[C@H]1[N@@H+]1CC2(CCCC2)NC[C@@H]1C ZINC000086261384 179260549 /nfs/dbraw/zinc/26/05/49/179260549.db2.gz VPHQOXZTUZBQLH-MJBXVCDLSA-N 1 0 252.402 2.160 10 0 CEAERO Cc1cc(CN2C[C@H](C(C)(C)C)[NH2+]C[C@@H]2C)on1 ZINC000086260417 179260594 /nfs/dbraw/zinc/26/05/94/179260594.db2.gz WZCVZAVUSVCLFG-WCQYABFASA-N 1 0 251.374 2.191 10 0 CEAERO CC[C@H]1CN(Cc2scnc2C)[C@@H](CC)C[NH2+]1 ZINC000086264662 179260879 /nfs/dbraw/zinc/26/08/79/179260879.db2.gz DGOAUXBTBXKMFY-RYUDHWBXSA-N 1 0 253.415 2.414 10 0 CEAERO COc1ccc(CN2C[C@H](C(C)(C)C)[NH2+]C[C@@H]2C)cn1 ZINC000086263938 179261070 /nfs/dbraw/zinc/26/10/70/179261070.db2.gz GBBWIZUNZGIJGK-GXTWGEPZSA-N 1 0 277.412 2.299 10 0 CEAERO Cc1csc(CCN2C[C@H](C3CC3)[NH2+]C[C@@H]2C)n1 ZINC000086264249 179261256 /nfs/dbraw/zinc/26/12/56/179261256.db2.gz UNAYGMUSVOINCM-WCQYABFASA-N 1 0 265.426 2.066 10 0 CEAERO COc1ccc(CN2CC3(CCCC3)[NH2+]C[C@H]2C)cn1 ZINC000086263933 179261391 /nfs/dbraw/zinc/26/13/91/179261391.db2.gz RVBQOLOYLUAOQO-CYBMUJFWSA-N 1 0 275.396 2.197 10 0 CEAERO CC[C@H]1CN(CCc2cscn2)[C@@H](CC)C[NH2+]1 ZINC000086265606 179262048 /nfs/dbraw/zinc/26/20/48/179262048.db2.gz SQEDUFKFRQEHDP-AAEUAGOBSA-N 1 0 253.415 2.148 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1Cc1cscn1 ZINC000086265497 179262267 /nfs/dbraw/zinc/26/22/67/179262267.db2.gz KKYYOUJHGVCPRD-ZYHUDNBSSA-N 1 0 253.415 2.352 10 0 CEAERO COc1ccc(OC)c(N2CCC[NH2+][C@@H](C3CC3)C2)c1 ZINC000086269556 179262311 /nfs/dbraw/zinc/26/23/11/179262311.db2.gz QXNLVVJETGEZAA-CQSZACIVSA-N 1 0 276.380 2.282 10 0 CEAERO C[C@H]1C[NH2+]C2(CCCC2)CN1Cc1cscn1 ZINC000086265494 179262432 /nfs/dbraw/zinc/26/24/32/179262432.db2.gz HNLSSZPMBMCUQA-NSHDSACASA-N 1 0 251.399 2.250 10 0 CEAERO C[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1Cc1cscn1 ZINC000086265495 179262509 /nfs/dbraw/zinc/26/25/09/179262509.db2.gz KKYYOUJHGVCPRD-PWSUYJOCSA-N 1 0 253.415 2.352 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C2CC2)CN1Cc1cscn1 ZINC000086265452 179262538 /nfs/dbraw/zinc/26/25/38/179262538.db2.gz QRPLBVQKWWQTJJ-STQMWFEESA-N 1 0 251.399 2.106 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](CC(C)C)CN1[C@@H]1CCCOC1 ZINC000086265248 179262541 /nfs/dbraw/zinc/26/25/41/179262541.db2.gz CQEVLBPFLPYLKF-SOUVJXGZSA-N 1 0 254.418 2.264 10 0 CEAERO c1ccc(CCN2CCC[NH2+]C3(CCCC3)C2)nc1 ZINC000086288184 179264511 /nfs/dbraw/zinc/26/45/11/179264511.db2.gz VUOLQSITXPTBEL-UHFFFAOYSA-N 1 0 259.397 2.232 10 0 CEAERO CCC[C@H]1CN(Cc2cnc(C)s2)CCC[NH2+]1 ZINC000086289950 179264618 /nfs/dbraw/zinc/26/46/18/179264618.db2.gz NFGROUDQLDIFKR-LBPRGKRZSA-N 1 0 253.415 2.416 10 0 CEAERO CC[C@@H](C)[C@H]1CN(CCc2cccnc2)CCC[NH2+]1 ZINC000086288725 179264792 /nfs/dbraw/zinc/26/47/92/179264792.db2.gz WWYDFTDHHZBWCU-GDBMZVCRSA-N 1 0 261.413 2.334 10 0 CEAERO C[C@H]([NH3+])CCNc1nc(Br)cs1 ZINC000086290736 179265309 /nfs/dbraw/zinc/26/53/09/179265309.db2.gz KFERMPXNIUSQSZ-YFKPBYRVSA-N 1 0 250.165 2.055 10 0 CEAERO CC[C@@H]1CN[C@@H](C2CC2)C[N@@H+]1CC[C@@H]1CCCO1 ZINC000086258839 179256584 /nfs/dbraw/zinc/25/65/84/179256584.db2.gz IVMCWBGVQGNIPB-QLFBSQMISA-N 1 0 252.402 2.018 10 0 CEAERO CN1C(=O)CCC[C@H]([NH3+])[C@H]1c1ccc2ccccc2n1 ZINC000086317419 179270267 /nfs/dbraw/zinc/27/02/67/179270267.db2.gz JNYCWOVONSPKGI-LRDDRELGSA-N 1 0 269.348 2.246 10 0 CEAERO C[NH2+]CC1CC(Oc2nc(Br)cs2)C1 ZINC000086291843 179265952 /nfs/dbraw/zinc/26/59/52/179265952.db2.gz FYZPFGGCHIZNKJ-UHFFFAOYSA-N 1 0 277.187 2.282 10 0 CEAERO CCC1(CC)CN(Cc2cc(C)no2)CCC[NH2+]1 ZINC000086292787 179266716 /nfs/dbraw/zinc/26/67/16/179266716.db2.gz VHBOMYKGEMNHLB-UHFFFAOYSA-N 1 0 251.374 2.337 10 0 CEAERO CC[C@H](C)[C@H]1CN(CCc2nccs2)CCC[NH2+]1 ZINC000086296831 179267370 /nfs/dbraw/zinc/26/73/70/179267370.db2.gz NTUXZXOPSKHQPJ-QWHCGFSZSA-N 1 0 267.442 2.396 10 0 CEAERO CC(C)n1cc(N2CCC[NH2+][C@](C)(C3CC3)C2)cn1 ZINC000086295940 179267970 /nfs/dbraw/zinc/26/79/70/179267970.db2.gz GMHAHJMGICMQEW-HNNXBMFYSA-N 1 0 262.401 2.432 10 0 CEAERO CC1(C)CN(C[C@@H]2Cc3ccccc3O2)CCC[NH2+]1 ZINC000086293825 179268006 /nfs/dbraw/zinc/26/80/06/179268006.db2.gz MZULBAXBEUTGPN-AWEZNQCLSA-N 1 0 260.381 2.064 10 0 CEAERO C[C@H](C(=O)Nc1ncccc1O)[C@@H]([NH3+])c1ccccc1 ZINC000128604810 187379963 /nfs/dbraw/zinc/37/99/63/187379963.db2.gz UTRDLOIFSRMIAT-GXFFZTMASA-N 1 0 271.320 2.062 10 0 CEAERO COC[C@@H](C)C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000103379183 185834641 /nfs/dbraw/zinc/83/46/41/185834641.db2.gz KPZSQPHHHCWUHG-HUUCEWRRSA-N 1 0 284.444 2.142 10 0 CEAERO CC[C@@H]1CO[C@@H](C)CN1c1nc2c(s1)CCC[C@@H]2[NH3+] ZINC000086443787 179293827 /nfs/dbraw/zinc/29/38/27/179293827.db2.gz ZTQCGRMIBXMIIA-AXFHLTTASA-N 1 0 281.425 2.483 10 0 CEAERO C[NH2+][C@@H]1CCCc2sc(N(C)Cc3nccn3C)nc21 ZINC000086444053 179293836 /nfs/dbraw/zinc/29/38/36/179293836.db2.gz HJODWGLDEMZQKV-SNVBAGLBSA-N 1 0 291.424 2.110 10 0 CEAERO CN(CC(F)(F)F)c1nc2c(s1)CCC[C@H]2[NH3+] ZINC000086443003 179293903 /nfs/dbraw/zinc/29/39/03/179293903.db2.gz KNVPCPNMAHMQKP-ZCFIWIBFSA-N 1 0 265.304 2.478 10 0 CEAERO C[C@H]1CN(c2nc3c(s2)CCC[C@@H]3[NH3+])CCCO1 ZINC000086444002 179294058 /nfs/dbraw/zinc/29/40/58/179294058.db2.gz OEMYSLGRDOUWIQ-UWVGGRQHSA-N 1 0 267.398 2.094 10 0 CEAERO CC[C@H]1CN(C(=O)c2ccc(C)nc2C)[C@@H](CC)C[NH2+]1 ZINC000086446152 179294484 /nfs/dbraw/zinc/29/44/84/179294484.db2.gz KVRZEVNWHWKVRP-KBPBESRZSA-N 1 0 275.396 2.301 10 0 CEAERO CC[C@@H]1CN(C(=O)c2ccc(F)cc2)[C@@H](CC)C[NH2+]1 ZINC000086446411 179294697 /nfs/dbraw/zinc/29/46/97/179294697.db2.gz PJMRTAHKBAKTFE-KGLIPLIRSA-N 1 0 264.344 2.428 10 0 CEAERO CC[C@@H]1CN(C(=O)Cc2ccc(F)cc2)[C@H](CC)C[NH2+]1 ZINC000086446306 179294730 /nfs/dbraw/zinc/29/47/30/179294730.db2.gz BBOBTGVMMXXEST-HUUCEWRRSA-N 1 0 278.371 2.357 10 0 CEAERO Cc1cc(/C=C2/SC(=O)N(CC[NH3+])C2=O)c(C)s1 ZINC000103388676 185835718 /nfs/dbraw/zinc/83/57/18/185835718.db2.gz KNCHGIIYUUBIOS-UXBLZVDNSA-N 1 0 282.390 2.360 10 0 CEAERO c1ccc2c(c1)C[C@@H]2c1noc(C[C@@H]2CCC[NH2+]2)n1 ZINC000086486280 179301825 /nfs/dbraw/zinc/30/18/25/179301825.db2.gz MZSHPSUYLGIZON-AAEUAGOBSA-N 1 0 255.321 2.052 10 0 CEAERO C[NH2+][C@@H](Cc1nc([C@@H]2Cc3ccccc32)no1)C1CC1 ZINC000086492236 179302679 /nfs/dbraw/zinc/30/26/79/179302679.db2.gz JQYQSDRVXZMDNJ-KGLIPLIRSA-N 1 0 269.348 2.298 10 0 CEAERO CCn1cc(C[C@@H]([NH2+]C)[C@H]2Cc3ccccc32)cn1 ZINC000086488995 179302693 /nfs/dbraw/zinc/30/26/93/179302693.db2.gz DPJJXISBIYWNCX-JKSUJKDBSA-N 1 0 255.365 2.373 10 0 CEAERO CC[C@@H](Cc1nc([C@H]2Cc3ccccc32)no1)[NH2+]C ZINC000086492130 179302717 /nfs/dbraw/zinc/30/27/17/179302717.db2.gz JBIMLTRPQHRNOP-AAEUAGOBSA-N 1 0 257.337 2.298 10 0 CEAERO COC(OC)[C@@H]([NH3+])Cc1cc(Br)ccc1F ZINC000086451878 179296241 /nfs/dbraw/zinc/29/62/41/179296241.db2.gz BXFHIBYSOPYRSX-JTQLQIEISA-N 1 0 292.148 2.077 10 0 CEAERO Cc1cc([C@@H]2CNC(=[NH2+])N2C)ccc1Br ZINC000086458650 179296339 /nfs/dbraw/zinc/29/63/39/179296339.db2.gz OOAFRVADOQXPKC-JTQLQIEISA-N 1 0 268.158 2.059 10 0 CEAERO CCN1C(=[NH2+])NC[C@@H]1c1ccc(Br)cc1F ZINC000086459352 179296418 /nfs/dbraw/zinc/29/64/18/179296418.db2.gz WVBAZEKDTAOTAX-SNVBAGLBSA-N 1 0 286.148 2.280 10 0 CEAERO CCN1C(=[NH2+])NC[C@H]1c1ccc(F)c(Br)c1 ZINC000086459008 179296496 /nfs/dbraw/zinc/29/64/96/179296496.db2.gz PVGXTZLSKPQSAT-JTQLQIEISA-N 1 0 286.148 2.280 10 0 CEAERO Cc1cc(C)c(C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)c(C)c1 ZINC000086467260 179297036 /nfs/dbraw/zinc/29/70/36/179297036.db2.gz RMSZSQKTVGAKPE-UONOGXRCSA-N 1 0 260.381 2.434 10 0 CEAERO CC[C@H]1CN(CCC(=O)NC2CCCCC2)[C@@H](CC)C[NH2+]1 ZINC000086465702 179297237 /nfs/dbraw/zinc/29/72/37/179297237.db2.gz WRVPDJWLXKVJFW-HOCLYGCPSA-N 1 0 295.471 2.288 10 0 CEAERO C[C@@H]1CN(C(=O)c2cc(Cl)cn2C2CC2)[C@H](C)C[NH2+]1 ZINC000086467582 179297574 /nfs/dbraw/zinc/29/75/74/179297574.db2.gz RZXBCPNMOZIPMF-NXEZZACHSA-N 1 0 281.787 2.299 10 0 CEAERO CO[C@H](C)[C@H]([NH3+])Cc1cc(Br)ccc1F ZINC000086575810 179308775 /nfs/dbraw/zinc/30/87/75/179308775.db2.gz LCZULLONXZQNMG-RDDDGLTNSA-N 1 0 276.149 2.493 10 0 CEAERO CCOC(=O)C[C@H]([NH3+])c1ccc(OC)c(Cl)c1 ZINC000086583500 179309007 /nfs/dbraw/zinc/30/90/07/179309007.db2.gz YJHVPVWTRSAGTC-JTQLQIEISA-N 1 0 257.717 2.302 10 0 CEAERO Cc1cnc([C@@H](C)NC(=O)C[C@@H](C[NH3+])CC(C)C)o1 ZINC000231743300 539581037 /nfs/dbraw/zinc/58/10/37/539581037.db2.gz QXLSJJSJCCCRTA-NEPJUHHUSA-N 1 0 267.373 2.171 10 0 CEAERO [NH3+]CC1(c2ccc3c(c2)OCCO3)CC2(C1)CCOCC2 ZINC000086539827 179306942 /nfs/dbraw/zinc/30/69/42/179306942.db2.gz AOBAXCLSRLUDNG-UHFFFAOYSA-N 1 0 289.375 2.245 10 0 CEAERO C[NH2+][C@@]1(CO)CC[C@@H](Sc2nc(C)cs2)C1 ZINC000086636050 179314864 /nfs/dbraw/zinc/31/48/64/179314864.db2.gz SXKPZNLTHWQVLW-KOLCDFICSA-N 1 0 258.412 2.047 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](c2ccc3c(c2)OCCCO3)OC1 ZINC000086633812 179314907 /nfs/dbraw/zinc/31/49/07/179314907.db2.gz CQEYFQXNXMJFAZ-ABAIWWIYSA-N 1 0 263.337 2.145 10 0 CEAERO Cc1ncsc1-c1nc2cc(C[NH3+])ccc2n1C ZINC000086641234 179315046 /nfs/dbraw/zinc/31/50/46/179315046.db2.gz YREJFBOQDIBZNW-UHFFFAOYSA-N 1 0 258.350 2.464 10 0 CEAERO C[C@H]1C[NH+]=C(NCCc2ccc3c(c2)OCCO3)SC1 ZINC000086632617 179315141 /nfs/dbraw/zinc/31/51/41/179315141.db2.gz BMCWXRKUTGPBNV-NSHDSACASA-N 1 0 292.404 2.329 10 0 CEAERO COC[C@@H]([NH2+]Cc1c(OC)nc2sccn12)C(C)C ZINC000086696356 179320778 /nfs/dbraw/zinc/32/07/78/179320778.db2.gz VISICIDXMPJNQZ-SNVBAGLBSA-N 1 0 283.397 2.165 10 0 CEAERO [NH3+]C[C@]1(Cc2cc(F)cc(Br)c2)CCOC1 ZINC000086696972 179320946 /nfs/dbraw/zinc/32/09/46/179320946.db2.gz COWVKGPCQWZLDD-GFCCVEGCSA-N 1 0 288.160 2.496 10 0 CEAERO C[C@H](CCc1ccco1)[NH2+][C@@H]1CCC[C@@H]1S(C)(=O)=O ZINC000086671609 179317501 /nfs/dbraw/zinc/31/75/01/179317501.db2.gz RNALUSOTVSSQRP-BNOWGMLFSA-N 1 0 285.409 2.156 10 0 CEAERO CS(=O)(=O)[C@@H]1CCC[C@@H]1[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000086673599 179318064 /nfs/dbraw/zinc/31/80/64/179318064.db2.gz ZBLWUYVUZZCMQC-KWKJMZLKSA-N 1 0 297.464 2.366 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1cnc(Cl)s1 ZINC000086777801 179329179 /nfs/dbraw/zinc/32/91/79/179329179.db2.gz JVDQULURFNSUBR-CBLAIPOGSA-N 1 0 257.790 2.251 10 0 CEAERO CC(C)CNC(=O)[C@H](C)O[C@@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000086712464 179322642 /nfs/dbraw/zinc/32/26/42/179322642.db2.gz CDBQJMWQNCQQEH-IPYPFGDCSA-N 1 0 270.417 2.071 10 0 CEAERO CN(C)C(=O)CCOC1(C[NH3+])CCC(C(C)(C)C)CC1 ZINC000086713692 179322749 /nfs/dbraw/zinc/32/27/49/179322749.db2.gz KOHJTLGXVLWCLJ-UHFFFAOYSA-N 1 0 284.444 2.415 10 0 CEAERO C[C@@H](OC1(C[NH3+])CCC(C(C)(C)C)CC1)C(=O)N(C)C ZINC000086713626 179322982 /nfs/dbraw/zinc/32/29/82/179322982.db2.gz LVOYUHDOHIIMTL-VEAWUBTESA-N 1 0 284.444 2.414 10 0 CEAERO CC(C)NC(=O)COC1(C[NH3+])CCC(C(C)C)CC1 ZINC000086713578 179323019 /nfs/dbraw/zinc/32/30/19/179323019.db2.gz HLNAIGNVOSBSML-UHFFFAOYSA-N 1 0 270.417 2.071 10 0 CEAERO CC(C)[N@@H+]1CCC[C@@]([NH2+]Cc2ccccc2)(C(=O)[O-])CC1 ZINC000086849876 179357565 /nfs/dbraw/zinc/35/75/65/179357565.db2.gz XMFYSHDFUKCNNO-KRWDZBQOSA-N 1 0 290.407 2.494 10 0 CEAERO C[N@@H+]1CCC[C@@H]([NH+]2CCC(CCC(=O)[O-])CC2)CC1 ZINC000086834518 179349930 /nfs/dbraw/zinc/34/99/30/179349930.db2.gz SGNNENUGLJBSJH-CQSZACIVSA-N 1 0 268.401 2.048 10 0 CEAERO CC[N@@H+]1CCC[C@](Nc2cccc(C)c2)(C(N)=O)CC1 ZINC000086849387 179357856 /nfs/dbraw/zinc/35/78/56/179357856.db2.gz DPFNRPLUPPQJDJ-MRXNPFEDSA-N 1 0 275.396 2.137 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2ccc(CC(N)=O)cc2)CC1 ZINC000086839194 179351081 /nfs/dbraw/zinc/35/10/81/179351081.db2.gz SIIKCTFVEAHWPA-CQSZACIVSA-N 1 0 275.396 2.001 10 0 CEAERO CCOC(=O)[C@@]1(NCC2CC2)CCC[N@@H+](C(C)C)CC1 ZINC000086850350 179357882 /nfs/dbraw/zinc/35/78/82/179357882.db2.gz LHRCNDNQGMJVNZ-MRXNPFEDSA-N 1 0 282.428 2.182 10 0 CEAERO CCC[N@@H+]1CCC[C@@H](NCc2cscn2)CC1 ZINC000086845118 179354812 /nfs/dbraw/zinc/35/48/12/179354812.db2.gz GCGWRVOSGSEYGF-GFCCVEGCSA-N 1 0 253.415 2.497 10 0 CEAERO CCCc1nc([C@@]2(N)CCC[N@@H+](CCC)CC2)no1 ZINC000086851742 179359627 /nfs/dbraw/zinc/35/96/27/179359627.db2.gz KTYBBTBOEQURLH-CQSZACIVSA-N 1 0 266.389 2.072 10 0 CEAERO CCCc1nc([C@]2(N)CCC[N@@H+](C(C)C)CC2)no1 ZINC000086851736 179359762 /nfs/dbraw/zinc/35/97/62/179359762.db2.gz NPHFDCKSIHMPEH-AWEZNQCLSA-N 1 0 266.389 2.070 10 0 CEAERO CC[N@@H+]1CCC[C@H]([NH+](CCC(=O)[O-])C(C)C)CC1 ZINC000086868762 179362041 /nfs/dbraw/zinc/36/20/41/179362041.db2.gz KVTDRXFGFBDJSE-ZDUSSCGKSA-N 1 0 256.390 2.046 10 0 CEAERO CCC[N@@H+]1CCC[C@H]([NH+](C)[C@@H](CC)C(=O)[O-])CC1 ZINC000086869228 179362292 /nfs/dbraw/zinc/36/22/92/179362292.db2.gz ONJIEQLVERLGOF-STQMWFEESA-N 1 0 256.390 2.046 10 0 CEAERO CC(C)[N@@H+]1CCC[C@@H]([NH+](C)CCCC(=O)[O-])CC1 ZINC000086869219 179362701 /nfs/dbraw/zinc/36/27/01/179362701.db2.gz QLJIZYXVOAOWGT-CYBMUJFWSA-N 1 0 256.390 2.046 10 0 CEAERO CC[NH2+][C@@H]1CCC[C@@H]1c1nc(C[C@@H]2CCCO2)no1 ZINC000104070129 185891956 /nfs/dbraw/zinc/89/19/56/185891956.db2.gz KXQCQZIAPVCGIR-SDDRHHMPSA-N 1 0 265.357 2.037 10 0 CEAERO CC[C@H](C)n1ccc(C[C@]2([NH3+])CCCOCC2)n1 ZINC000086870533 179363606 /nfs/dbraw/zinc/36/36/06/179363606.db2.gz SHRAHKHMVREZGR-JSGCOSHPSA-N 1 0 251.374 2.295 10 0 CEAERO CN(Cc1ccccc1F)[C@]1(C[NH3+])CCCOCC1 ZINC000086875081 179364701 /nfs/dbraw/zinc/36/47/01/179364701.db2.gz OFLRRWIKNGWCCE-OAHLLOKOSA-N 1 0 266.360 2.156 10 0 CEAERO CCC[N@@H+]1CCC[C@@]([NH2+]Cc2ccccc2)(C(=O)[O-])CC1 ZINC000086849881 179357901 /nfs/dbraw/zinc/35/79/01/179357901.db2.gz JPFQAEYJVWBONS-KRWDZBQOSA-N 1 0 290.407 2.496 10 0 CEAERO CC[C@H](C)N[C@]1(C(=O)OC)CCC[N@@H+](C(C)C)CC1 ZINC000086850500 179358168 /nfs/dbraw/zinc/35/81/68/179358168.db2.gz YAPLAKACIMPNGI-DZGCQCFKSA-N 1 0 270.417 2.181 10 0 CEAERO CC[C@H](C)N[C@@]1(C(=O)OC)CCC[N@@H+](C(C)C)CC1 ZINC000086850505 179358348 /nfs/dbraw/zinc/35/83/48/179358348.db2.gz YAPLAKACIMPNGI-ZFWWWQNUSA-N 1 0 270.417 2.181 10 0 CEAERO CC(C)[N@@H+]1CCC[C@@](O)(c2cncc(F)c2)CC1 ZINC000086853033 179359181 /nfs/dbraw/zinc/35/91/81/179359181.db2.gz HIMWLEONYYJASA-AWEZNQCLSA-N 1 0 252.333 2.303 10 0 CEAERO CCC[N@@H+]1CCC[C@@](O)(c2cncc(F)c2)CC1 ZINC000086852509 179359383 /nfs/dbraw/zinc/35/93/83/179359383.db2.gz REZLMAPOZQFHOS-AWEZNQCLSA-N 1 0 252.333 2.304 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH3+])Cc1cc(C)cc(C)c1 ZINC000086979362 179373380 /nfs/dbraw/zinc/37/33/80/179373380.db2.gz QNXMFGCJLGDOKA-OAHLLOKOSA-N 1 0 283.437 2.388 10 0 CEAERO CCS(=O)(=O)CCC[C@@H](C[NH2+]CCOC)CC(C)C ZINC000086981162 179373440 /nfs/dbraw/zinc/37/34/40/179373440.db2.gz RSKGJXUJFNZYNE-CQSZACIVSA-N 1 0 293.473 2.100 10 0 CEAERO CCCC1CC[NH+]([C@]2(CN)CCCOCC2)CC1 ZINC000086875621 179365520 /nfs/dbraw/zinc/36/55/20/179365520.db2.gz SPFQYSZXEUAVAW-OAHLLOKOSA-N 1 0 254.418 2.397 10 0 CEAERO NC[C@]1([NH+](CC2CC2)CC2CC2)CCCOCC1 ZINC000086875919 179365698 /nfs/dbraw/zinc/36/56/98/179365698.db2.gz RCUZGUYAVSCGIQ-HNNXBMFYSA-N 1 0 252.402 2.006 10 0 CEAERO CC[NH+](CC)CCN[C@@]1(C(=O)OC)CCC[C@@H](C)CC1 ZINC000086891866 179366035 /nfs/dbraw/zinc/36/60/35/179366035.db2.gz CBRFWSRLIYWJQT-ZBFHGGJFSA-N 1 0 284.444 2.430 10 0 CEAERO CC[C@@H]1CCC[C@](C[NH3+])(N(CCOC)CCOC)CC1 ZINC000086911320 179367086 /nfs/dbraw/zinc/36/70/86/179367086.db2.gz MXELHALOAFGZNC-CVEARBPZSA-N 1 0 286.460 2.269 10 0 CEAERO CC[C@H]1CCC[C@]([NH3+])(CCCS(C)(=O)=O)CC1 ZINC000086896327 179367294 /nfs/dbraw/zinc/36/72/94/179367294.db2.gz ADKURBFPUYOBJE-STQMWFEESA-N 1 0 261.431 2.499 10 0 CEAERO COc1ccc([C@@H](C[NH3+])N(C)Cc2cccnc2)cc1F ZINC000086983598 179374033 /nfs/dbraw/zinc/37/40/33/179374033.db2.gz CVZLHQHESDAKJJ-OAHLLOKOSA-N 1 0 289.354 2.361 10 0 CEAERO CCC[C@H]1CCC[C@@](C[NH3+])(N2CCn3cnnc3C2)CC1 ZINC000086949096 179368540 /nfs/dbraw/zinc/36/85/40/179368540.db2.gz DILNPGVUTSTCFM-GOEBONIOSA-N 1 0 291.443 2.172 10 0 CEAERO CCC[C@@H]1CCC[C@@](C(=O)OC)(N2CC[NH2+]CC2)CC1 ZINC000086949867 179368890 /nfs/dbraw/zinc/36/88/90/179368890.db2.gz QTWJFIXWXPRQIW-GDBMZVCRSA-N 1 0 282.428 2.184 10 0 CEAERO CC(C)(C)[C@@H]1CCC[C@](CO)(N2CC[NH2+]CC2)CC1 ZINC000086962039 179369657 /nfs/dbraw/zinc/36/96/57/179369657.db2.gz JDUWGYMWLSZFIR-ZBFHGGJFSA-N 1 0 268.445 2.249 10 0 CEAERO COCCC[C@H]([NH3+])Cc1ccn(C2CCCC2)n1 ZINC000086963619 179369669 /nfs/dbraw/zinc/36/96/69/179369669.db2.gz YJVSWADRCKIPRH-LBPRGKRZSA-N 1 0 251.374 2.295 10 0 CEAERO CCS(=O)(=O)CCCOc1ccc([C@@H](C)[NH2+]C)cc1 ZINC000086972794 179371333 /nfs/dbraw/zinc/37/13/33/179371333.db2.gz YQDCZYLQHFGGRK-GFCCVEGCSA-N 1 0 285.409 2.171 10 0 CEAERO C[NH2+][C@H](Cc1ccccn1)[C@@H]1CSCCS1 ZINC000086984804 179373953 /nfs/dbraw/zinc/37/39/53/179373953.db2.gz ORDIMQUBWCUMIX-NEPJUHHUSA-N 1 0 254.424 2.061 10 0 CEAERO CC[C@@](C)(O)C[NH2+][C@H]1CCOc2ccc(OC)cc21 ZINC000087012106 179379261 /nfs/dbraw/zinc/37/92/61/179379261.db2.gz KGOUWHBNFBXYMA-DZGCQCFKSA-N 1 0 265.353 2.269 10 0 CEAERO Cn1ccnc1[C@H]([NH2+]CC1(O)CCCC1)c1cccs1 ZINC000087016585 179380311 /nfs/dbraw/zinc/38/03/11/179380311.db2.gz LFXFCRZJVKWHJQ-CYBMUJFWSA-N 1 0 291.420 2.466 10 0 CEAERO CC[C@](C)(O)C[NH2+]CC(=O)Nc1ccc(Cl)cc1 ZINC000087028088 179381611 /nfs/dbraw/zinc/38/16/11/179381611.db2.gz GKJQZIVPVYRCLL-ZDUSSCGKSA-N 1 0 270.760 2.029 10 0 CEAERO CCC(O)(CC)C[NH2+]C[C@H](O)COc1c(C)cccc1C ZINC000087028232 179381634 /nfs/dbraw/zinc/38/16/34/179381634.db2.gz PZGSWPDIOCTIDT-HNNXBMFYSA-N 1 0 295.423 2.184 10 0 CEAERO CC[C@@](C)(O)C[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000087028073 179381793 /nfs/dbraw/zinc/38/17/93/179381793.db2.gz LPSRJJRPLCNUDG-CHWSQXEVSA-N 1 0 257.761 2.124 10 0 CEAERO CCC(O)(CC)CNC(=O)CC[C@@H](CC[NH3+])C(C)C ZINC000087027196 179381810 /nfs/dbraw/zinc/38/18/10/179381810.db2.gz KKMCQLPORZDQJH-ZDUSSCGKSA-N 1 0 272.433 2.055 10 0 CEAERO [NH3+][C@@H](Cc1cccc(Cl)c1)[C@H]1CSCCO1 ZINC000086988102 179374576 /nfs/dbraw/zinc/37/45/76/179374576.db2.gz WQDCOTACJOCTMY-NWDGAFQWSA-N 1 0 257.786 2.342 10 0 CEAERO COc1ccc([C@H](O)[C@H]2CCCCC[NH2+]2)cc1F ZINC000086994455 179376024 /nfs/dbraw/zinc/37/60/24/179376024.db2.gz WBTWPDVKRPNYTQ-OCCSQVGLSA-N 1 0 253.317 2.400 10 0 CEAERO COc1ccc([C@@H]2[C@H]([NH3+])CCN2C2CC2)cc1F ZINC000086995393 179376266 /nfs/dbraw/zinc/37/62/66/179376266.db2.gz IITUWGVZBVFIOS-TZMCWYRMSA-N 1 0 250.317 2.071 10 0 CEAERO CCN1C(=O)CCC[C@@H]([NH3+])[C@@H]1c1ccc(OC)c(F)c1 ZINC000086995301 179376348 /nfs/dbraw/zinc/37/63/48/179376348.db2.gz JSXPTMZAGKEERH-DOMZBBRYSA-N 1 0 280.343 2.235 10 0 CEAERO CCN(C(=O)c1c(F)cc(F)cc1F)[C@H]1CCC[NH2+]C1 ZINC000086996263 179376740 /nfs/dbraw/zinc/37/67/40/179376740.db2.gz HBOXTYVHAUGRMP-JTQLQIEISA-N 1 0 286.297 2.318 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(F)cc(F)cc1F ZINC000086997894 179377501 /nfs/dbraw/zinc/37/75/01/179377501.db2.gz WLSLXBOXAACCNB-PBINXNQUSA-N 1 0 284.281 2.198 10 0 CEAERO CC(C)N1CC[C@@H]([NH2+]CC2(O)CCC(C)(C)CC2)C1 ZINC000087045985 179388008 /nfs/dbraw/zinc/38/80/08/179388008.db2.gz OMMUHUXKJJAAIJ-CQSZACIVSA-N 1 0 268.445 2.390 10 0 CEAERO C[C@H]1CCC[C@@](O)(C[NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000087050714 179388591 /nfs/dbraw/zinc/38/85/91/179388591.db2.gz QVYSZKWFCNSTBY-ZFWWWQNUSA-N 1 0 283.412 2.203 10 0 CEAERO C[C@H]1CCC[C@](C[NH2+]C2CC2)(O[C@@H]2CCOC2)C1 ZINC000104119022 185898258 /nfs/dbraw/zinc/89/82/58/185898258.db2.gz XTSMKGLNDUHSBJ-CFVMTHIKSA-N 1 0 253.386 2.493 10 0 CEAERO CCOc1cccc(N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000104117780 185898829 /nfs/dbraw/zinc/89/88/29/185898829.db2.gz LGFMEJXNIVWSFY-FUNVUKJBSA-N 1 0 261.369 2.200 10 0 CEAERO CCSCc1noc(-c2cccc(CC[NH3+])c2)n1 ZINC000087105252 179394805 /nfs/dbraw/zinc/39/48/05/179394805.db2.gz HIRNRSNCMLGZPU-UHFFFAOYSA-N 1 0 263.366 2.491 10 0 CEAERO CCSCc1nc(C)c(CCC[NH2+]C)c(C)n1 ZINC000087106508 179394850 /nfs/dbraw/zinc/39/48/50/179394850.db2.gz BGLRMVQIARLWOV-UHFFFAOYSA-N 1 0 253.415 2.499 10 0 CEAERO CCCSC[C@@H](CCCS(=O)(=O)CC)[NH2+]CC ZINC000087107655 179395126 /nfs/dbraw/zinc/39/51/26/179395126.db2.gz MKAZMYKNLVPURF-GFCCVEGCSA-N 1 0 281.487 2.323 10 0 CEAERO CCC[NH2+][C@H](CSCCC)Cc1cnn(C)c1 ZINC000087108013 179395204 /nfs/dbraw/zinc/39/52/04/179395204.db2.gz FPJMYLSZBYKFMR-ZDUSSCGKSA-N 1 0 255.431 2.474 10 0 CEAERO C[C@@H]1CCC[C@@](O)(C[NH2+]CC(=O)Nc2ccccc2F)C1 ZINC000087064778 179390144 /nfs/dbraw/zinc/39/01/44/179390144.db2.gz QOOSHCNMEWLPGD-WBMJQRKESA-N 1 0 294.370 2.295 10 0 CEAERO C[C@H]1CCC[C@](O)(C[NH2+]CCOCC(F)(F)F)C1 ZINC000087064883 179390413 /nfs/dbraw/zinc/39/04/13/179390413.db2.gz MLOOVSVBVAMQIB-WDEREUQCSA-N 1 0 269.307 2.096 10 0 CEAERO CC1(C)CCC(O)(CNC(=O)CC[C@H]2CCCC[NH2+]2)CC1 ZINC000087069056 179391301 /nfs/dbraw/zinc/39/13/01/179391301.db2.gz RQIJRCYIUXFMJU-CQSZACIVSA-N 1 0 296.455 2.356 10 0 CEAERO CC[C@H](CC[NH3+])CCC(=O)NCC1(O)CCCCCC1 ZINC000087089901 179393364 /nfs/dbraw/zinc/39/33/64/179393364.db2.gz ZHFPGWMATFKMQV-AWEZNQCLSA-N 1 0 284.444 2.343 10 0 CEAERO Cc1nc(C)c([C@@H](C)[NH2+]CC2(O)CCCCCC2)c(=O)[nH]1 ZINC000087088936 179393719 /nfs/dbraw/zinc/39/37/19/179393719.db2.gz DFSHAYIWUUYSNV-LLVKDONJSA-N 1 0 293.411 2.123 10 0 CEAERO O[C@H]1CCCCC[C@@H]1[NH2+]CC1(O)CCCCCC1 ZINC000087089220 179393797 /nfs/dbraw/zinc/39/37/97/179393797.db2.gz NGOUFDALDGREGE-KBPBESRZSA-N 1 0 255.402 2.355 10 0 CEAERO COCCC[NH2+]CCOCc1ccc(Cl)cc1 ZINC000087096726 179393941 /nfs/dbraw/zinc/39/39/41/179393941.db2.gz BXDPRPJPSOMOSV-UHFFFAOYSA-N 1 0 257.761 2.483 10 0 CEAERO CC[C@H]1C[NH2+]C[C@H](c2ccc(OC)cc2OC)O1 ZINC000087090341 179393943 /nfs/dbraw/zinc/39/39/43/179393943.db2.gz HPADKTXUECYTIM-IINYFYTJSA-N 1 0 251.326 2.143 10 0 CEAERO CC[C@@H](C)SC[C@H](Cc1ccnc(N)c1)[NH2+]C ZINC000087135661 179396586 /nfs/dbraw/zinc/39/65/86/179396586.db2.gz OEVOOQAXXSAVAI-PWSUYJOCSA-N 1 0 253.415 2.326 10 0 CEAERO Cc1cc(CC[NH3+])nc(CSC2CCCC2)n1 ZINC000087146590 179397230 /nfs/dbraw/zinc/39/72/30/179397230.db2.gz QHLBXSQHDGIBFD-UHFFFAOYSA-N 1 0 251.399 2.462 10 0 CEAERO CC[C@H](C)SCc1nc(C[NH2+]C(C)C)cc(=O)[nH]1 ZINC000087141592 179397512 /nfs/dbraw/zinc/39/75/12/179397512.db2.gz NQDBVASXNTWMDB-JTQLQIEISA-N 1 0 269.414 2.300 10 0 CEAERO COc1ccc(C[C@]2(O)CCC[N@H+](C)CC2)cc1F ZINC000087186264 179399761 /nfs/dbraw/zinc/39/97/61/179399761.db2.gz VSAHKCNFPDVOBI-HNNXBMFYSA-N 1 0 267.344 2.224 10 0 CEAERO CCC[C@H](C)[C@H](O)[C@@H](C[NH3+])c1ccc2c(c1)OCCO2 ZINC000087382135 179417550 /nfs/dbraw/zinc/41/75/50/179417550.db2.gz LTYGCMMQFJVEQP-RBOXIYTFSA-N 1 0 279.380 2.297 10 0 CEAERO CCC[C@H](C[NH3+])NC(=O)[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000087386910 179419188 /nfs/dbraw/zinc/41/91/88/179419188.db2.gz ONAZSVRBTBJBNQ-OWCLPIDISA-N 1 0 290.407 2.398 10 0 CEAERO Cc1oc(C)c(C(=O)N2CCCC[C@H]2C[NH3+])c1C ZINC000087200528 539627879 /nfs/dbraw/zinc/62/78/79/539627879.db2.gz PVABUAMVTWSQDK-LBPRGKRZSA-N 1 0 250.342 2.158 10 0 CEAERO COCCN(C(=O)C(C)(C)C(C)(C)[NH3+])[C@@H](C)C1CC1 ZINC000087628086 179458928 /nfs/dbraw/zinc/45/89/28/179458928.db2.gz KBGGHQDLYQTEHM-NSHDSACASA-N 1 0 270.417 2.023 10 0 CEAERO [NH3+][C@H]1CC[C@@](O)(Cc2ccc(F)cc2Br)C1 ZINC000087654458 179464088 /nfs/dbraw/zinc/46/40/88/179464088.db2.gz NXIQOARRKJLVPI-CMPLNLGQSA-N 1 0 288.160 2.373 10 0 CEAERO [NH3+][C@@H](Cc1ccn(C2CCCC2)n1)C1CCOCC1 ZINC000087810967 179489733 /nfs/dbraw/zinc/48/97/33/179489733.db2.gz JJCHWRISYBSJOE-HNNXBMFYSA-N 1 0 263.385 2.295 10 0 CEAERO C[C@H](CCC[C@H](C)[NH3+])C(=O)N1CCc2ncccc2C1 ZINC000087694571 179471606 /nfs/dbraw/zinc/47/16/06/179471606.db2.gz IXCMGTMWSXDULX-OLZOCXBDSA-N 1 0 275.396 2.120 10 0 CEAERO CCOC1CCN(C(=O)[C@@H](C)CCC[C@@H](C)[NH3+])CC1 ZINC000087698797 179472306 /nfs/dbraw/zinc/47/23/06/179472306.db2.gz KPPQYQVVPFFLQC-QWHCGFSZSA-N 1 0 270.417 2.168 10 0 CEAERO CC[NH2+]C[C@@H](C)Cc1c(C)nc(CCCOC)nc1C ZINC000087707190 179475007 /nfs/dbraw/zinc/47/50/07/179475007.db2.gz MQFCOFDXSNOVDQ-LBPRGKRZSA-N 1 0 279.428 2.461 10 0 CEAERO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c(N)c1 ZINC000087767580 179483176 /nfs/dbraw/zinc/48/31/76/179483176.db2.gz MPNYYHHWNJGWMG-NHYWBVRUSA-N 1 0 273.380 2.132 10 0 CEAERO C[NH2+]C1(Cc2nc([C@@H]3CCCO3)no2)CCCCC1 ZINC000087800811 179487315 /nfs/dbraw/zinc/48/73/15/179487315.db2.gz CGHGAJRMMZNQNM-NSHDSACASA-N 1 0 265.357 2.386 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)Nc1cc(NC(C)=O)ccc1F ZINC000087516876 179438444 /nfs/dbraw/zinc/43/84/44/179438444.db2.gz OTBDGCYZLJZFKV-SNVBAGLBSA-N 1 0 281.331 2.098 10 0 CEAERO Cc1cc(C)cc(OCCN(C)C(=O)[C@H](C[NH3+])C(C)C)c1 ZINC000087524824 179440896 /nfs/dbraw/zinc/44/08/96/179440896.db2.gz ICMRBYWQMTXHFV-MRXNPFEDSA-N 1 0 292.423 2.372 10 0 CEAERO CCOc1ccccc1CN(C)C(=O)[C@@H](CC)C[NH3+] ZINC000087527488 179441211 /nfs/dbraw/zinc/44/12/11/179441211.db2.gz DIPGPQSQCHZTIA-LBPRGKRZSA-N 1 0 264.369 2.029 10 0 CEAERO C[NH2+]C1(CC(=O)N2CCO[C@H]3CCC[C@H]32)CCCCC1 ZINC000087577613 179449295 /nfs/dbraw/zinc/44/92/95/179449295.db2.gz XYSJFCHDVBGEKY-KGLIPLIRSA-N 1 0 280.412 2.079 10 0 CEAERO CC(C)(CCCOc1cccc(CO)c1)C(N)=[NH2+] ZINC000087610850 179454375 /nfs/dbraw/zinc/45/43/75/179454375.db2.gz SEKNMSOKAJDSFE-UHFFFAOYSA-N 1 0 250.342 2.300 10 0 CEAERO OCC[N@@H+]1CCC[C@H](c2cnnc3ccccc32)CC1 ZINC000616628729 348540506 /nfs/dbraw/zinc/54/05/06/348540506.db2.gz QBJNVZFDIXQZIP-ZDUSSCGKSA-N 1 0 271.364 2.192 10 0 CEAERO OCc1ccc([C@H]2C[N@H+](Cc3ccccc3)CCN2)cc1 ZINC000616633351 348541997 /nfs/dbraw/zinc/54/19/97/348541997.db2.gz RDJMOYHUFWBWFB-GOSISDBHSA-N 1 0 282.387 2.325 10 0 CEAERO c1n[nH]cc1[C@@H]1COCC[N@@H+](Cc2ccccc2)C1 ZINC000616659912 348551984 /nfs/dbraw/zinc/55/19/84/348551984.db2.gz JZOSDRLEMOGDLX-HNNXBMFYSA-N 1 0 257.337 2.026 10 0 CEAERO CC(=O)Nc1cccc([C@H]2C[NH2+]CCN2C(C)(C)C)c1 ZINC000616636783 348542741 /nfs/dbraw/zinc/54/27/41/348542741.db2.gz CPPQZMPIXFGFNK-OAHLLOKOSA-N 1 0 275.396 2.390 10 0 CEAERO OCc1ccccc1[C@H]1C[NH2+]CCN1Cc1ccccc1 ZINC000616637550 348543025 /nfs/dbraw/zinc/54/30/25/348543025.db2.gz WRABLGWPLAQLBO-GOSISDBHSA-N 1 0 282.387 2.325 10 0 CEAERO Nc1cc([C@H]2COCCC[N@@H+]2Cc2ccccc2)ccn1 ZINC000616646626 348546170 /nfs/dbraw/zinc/54/61/70/348546170.db2.gz IAGCHRLAIBJWPD-MRXNPFEDSA-N 1 0 283.375 2.458 10 0 CEAERO Brc1cnn([C@H]2CC[C@H]2C[NH2+]C2CC2)c1 ZINC000087923826 179523882 /nfs/dbraw/zinc/52/38/82/179523882.db2.gz HVHYGFNIDUTNTN-KWQFWETISA-N 1 0 270.174 2.349 10 0 CEAERO [NH3+]C[C@]1(Cc2cc(F)ccc2F)CCCC[C@@H]1O ZINC000087931681 179526372 /nfs/dbraw/zinc/52/63/72/179526372.db2.gz JZEBWXKUYBYSDP-UONOGXRCSA-N 1 0 255.308 2.387 10 0 CEAERO COc1ccc(C[C@@H]([NH3+])[C@@H]2CCCOC2)cc1F ZINC000087813957 179491103 /nfs/dbraw/zinc/49/11/03/179491103.db2.gz LNONFNOUCARPNP-DGCLKSJQSA-N 1 0 253.317 2.131 10 0 CEAERO COc1cccc([C@@H](C[NH2+][C@@H](C)C(C)(C)O)N(C)C)c1 ZINC000087817213 179491744 /nfs/dbraw/zinc/49/17/44/179491744.db2.gz NEAZJZFKGITYSJ-SWLSCSKDSA-N 1 0 280.412 2.047 10 0 CEAERO Cc1nnc(S[C@@H](c2cccc(F)c2)[C@H](C)[NH3+])n1C ZINC000104184531 185918345 /nfs/dbraw/zinc/91/83/45/185918345.db2.gz NILFYHBSPQPUBC-QPUJVOFHSA-N 1 0 280.372 2.443 10 0 CEAERO CC[N@@H+]1CCOCC[C@H]1c1cccc2nnccc21 ZINC000616656064 348549870 /nfs/dbraw/zinc/54/98/70/348549870.db2.gz HGJWYZJKLVZWRZ-HNNXBMFYSA-N 1 0 257.337 2.413 10 0 CEAERO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)C1CCC1 ZINC000616570128 348523513 /nfs/dbraw/zinc/52/35/13/348523513.db2.gz LYUMPTCDRRTXTL-HUUCEWRRSA-N 1 0 276.355 2.188 10 0 CEAERO CCC[NH2+][C@@H](c1c(F)cccc1F)[C@@H]1COCCO1 ZINC000087858750 179502877 /nfs/dbraw/zinc/50/28/77/179502877.db2.gz AXMNVJIXEXZSHR-GXTWGEPZSA-N 1 0 271.307 2.421 10 0 CEAERO CC(C)(C)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000616572145 348524297 /nfs/dbraw/zinc/52/42/97/348524297.db2.gz VNMIJXDRUUOMHZ-KBPBESRZSA-N 1 0 278.371 2.434 10 0 CEAERO CCC[NH2+][C@@H](c1ccnn1C)[C@H]1COc2ccccc2O1 ZINC000087860150 179503774 /nfs/dbraw/zinc/50/37/74/179503774.db2.gz CXGVWYWNRHKYFQ-CVEARBPZSA-N 1 0 287.363 2.301 10 0 CEAERO COc1cccc(Cc2cnc([C@@H]3CC[NH2+]C3)o2)c1 ZINC000616575933 348525133 /nfs/dbraw/zinc/52/51/33/348525133.db2.gz NSAWSRMFUNSGIC-GFCCVEGCSA-N 1 0 258.321 2.351 10 0 CEAERO Cc1nc([C@H]2COc3ccccc3O2)nc(C)c1CC[NH3+] ZINC000087860917 179504426 /nfs/dbraw/zinc/50/44/26/179504426.db2.gz WSLKBMNVKJYTLB-OAHLLOKOSA-N 1 0 285.347 2.107 10 0 CEAERO Nc1ccccc1[C@H]1Cc2ccccc2N(CC[NH3+])C1 ZINC000616586412 348526753 /nfs/dbraw/zinc/52/67/53/348526753.db2.gz CBJOUJHVPGWIFR-AWEZNQCLSA-N 1 0 267.376 2.374 10 0 CEAERO NC(=O)c1ccccc1[C@@H]1CCc2ccccc2N1CC[NH3+] ZINC000616591992 348527383 /nfs/dbraw/zinc/52/73/83/348527383.db2.gz CJNWQOREEIAQRA-KRWDZBQOSA-N 1 0 295.386 2.238 10 0 CEAERO CC[N@@H+]1CCOCC[C@@H]1c1cccc2ccnnc21 ZINC000616597491 348529074 /nfs/dbraw/zinc/52/90/74/348529074.db2.gz ACPHQWALDJBQMV-CQSZACIVSA-N 1 0 257.337 2.413 10 0 CEAERO CC[N@@H+]1CCOCC[C@H]1c1cc2ccccc2nn1 ZINC000616598354 348529496 /nfs/dbraw/zinc/52/94/96/348529496.db2.gz PHUIHZUWLWTIIM-HNNXBMFYSA-N 1 0 257.337 2.413 10 0 CEAERO CC[N@@H+]1CCCOC[C@@H]1c1ccccc1NC(C)=O ZINC000616598434 348529908 /nfs/dbraw/zinc/52/99/08/348529908.db2.gz APQNQSOXVJVIIZ-OAHLLOKOSA-N 1 0 262.353 2.428 10 0 CEAERO CCOC(=O)N1CC[NH2+]C[C@H]1c1cccc2ncccc21 ZINC000616603957 348531887 /nfs/dbraw/zinc/53/18/87/348531887.db2.gz HYJOSTLABZDEBO-HNNXBMFYSA-N 1 0 285.347 2.338 10 0 CEAERO Nc1cc([C@H]2CCOCC[N@@H+]2Cc2ccccc2)ccn1 ZINC000616659284 348551271 /nfs/dbraw/zinc/55/12/71/348551271.db2.gz OZKMUNMEUHTVBU-MRXNPFEDSA-N 1 0 283.375 2.458 10 0 CEAERO COc1cccc(F)c1C(=O)N1C[C@@H]2C[C@H]([NH3+])CC[C@@H]2C1 ZINC000088081037 179545079 /nfs/dbraw/zinc/54/50/79/179545079.db2.gz FIRQISYELPKSBX-GRYCIOLGSA-N 1 0 292.354 2.034 10 0 CEAERO CC[C@H](NC(=O)C1([NH3+])CC1)c1ccc(Cl)cc1 ZINC000088129935 179553611 /nfs/dbraw/zinc/55/36/11/179553611.db2.gz QVTJHKUMUZCFFC-NSHDSACASA-N 1 0 252.745 2.399 10 0 CEAERO [NH3+]C1(C(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000088130062 179554104 /nfs/dbraw/zinc/55/41/04/179554104.db2.gz FLJXPPZKMGBBDQ-ZDUSSCGKSA-N 1 0 272.373 2.445 10 0 CEAERO C[C@H](C[NH3+])C[S@@](=O)c1ccc(Br)cc1 ZINC000088144595 179556338 /nfs/dbraw/zinc/55/63/38/179556338.db2.gz BNRNOXYNIWHGKN-CLAHSXSESA-N 1 0 276.199 2.152 10 0 CEAERO CC(C)OC[C@@H](O)COc1cccc2c1CCC[C@H]2[NH3+] ZINC000088151091 179557795 /nfs/dbraw/zinc/55/77/95/179557795.db2.gz VXTPJYKIOHKZIV-IUODEOHRSA-N 1 0 279.380 2.187 10 0 CEAERO CC(C)C[C@H](C[NH3+])CC(=O)N(CCO)C1CCCCC1 ZINC000088277208 179574519 /nfs/dbraw/zinc/57/45/19/179574519.db2.gz PNDMFSNAXCMCBB-AWEZNQCLSA-N 1 0 284.444 2.151 10 0 CEAERO CC[N@@H+]1CCOC[C@H](c2cccc3ccnnc32)C1 ZINC000616661959 348552867 /nfs/dbraw/zinc/55/28/67/348552867.db2.gz WVHJKKTWMXGUTP-CYBMUJFWSA-N 1 0 257.337 2.066 10 0 CEAERO c1nc([C@@H]2COCC[N@@H+](Cc3ccccc3)C2)c[nH]1 ZINC000616661542 348553088 /nfs/dbraw/zinc/55/30/88/348553088.db2.gz ULLHJFVVDUZOSL-AWEZNQCLSA-N 1 0 257.337 2.026 10 0 CEAERO c1c[nH]c([C@@H]2CC[N@H+](Cc3ccccc3)CCO2)n1 ZINC000616664019 348554315 /nfs/dbraw/zinc/55/43/15/348554315.db2.gz LLRIWCVRKNWTIN-AWEZNQCLSA-N 1 0 257.337 2.373 10 0 CEAERO [NH3+]CCN1C[C@H](c2ccc(CO)cc2)Cc2ccccc21 ZINC000616672852 348556524 /nfs/dbraw/zinc/55/65/24/348556524.db2.gz OMOWLSSSCAIACZ-QGZVFWFLSA-N 1 0 282.387 2.284 10 0 CEAERO [NH3+]CCN1c2ccccc2NC[C@@H]1c1ccncc1 ZINC000616682072 348558969 /nfs/dbraw/zinc/55/89/69/348558969.db2.gz DRYXERTVURGSEI-OAHLLOKOSA-N 1 0 254.337 2.014 10 0 CEAERO [NH3+]CCN1c2ccccc2NC[C@H]1c1cccnc1 ZINC000616683747 348559654 /nfs/dbraw/zinc/55/96/54/348559654.db2.gz QPTLQQLSYLHDST-HNNXBMFYSA-N 1 0 254.337 2.014 10 0 CEAERO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)CCO1 ZINC000616687013 348560793 /nfs/dbraw/zinc/56/07/93/348560793.db2.gz PXHWZLQJKIKDLP-LBPRGKRZSA-N 1 0 286.416 2.401 10 0 CEAERO [NH3+]CCN1c2ccccc2NC[C@@H]1c1ccc(CCO)cc1 ZINC000616691842 348562244 /nfs/dbraw/zinc/56/22/44/348562244.db2.gz POQLOPALJVRBHW-GOSISDBHSA-N 1 0 297.402 2.153 10 0 CEAERO CC[C@@H](C[NH3+])c1nc([C@@H]2CCOc3ccccc32)no1 ZINC000087996212 179532492 /nfs/dbraw/zinc/53/24/92/179532492.db2.gz GFALPCDIFZTIAI-CMPLNLGQSA-N 1 0 273.336 2.436 10 0 CEAERO CC[C@@H](NC(=O)[C@H]1C[NH2+]Cc2ccccc21)C(C)C ZINC000087618702 539651889 /nfs/dbraw/zinc/65/18/89/539651889.db2.gz YLMRDSCMZHTGRY-LSDHHAIUSA-N 1 0 260.381 2.424 10 0 CEAERO CCC[NH2+][C@@H]1CCOC[C@@H]1N1CCC(C(F)(F)F)CC1 ZINC000088419367 179597102 /nfs/dbraw/zinc/59/71/02/179597102.db2.gz BITXZNLKIXLXOH-OLZOCXBDSA-N 1 0 294.361 2.418 10 0 CEAERO OC[C@@]1(C[NH+]2CCC(C(F)(F)F)CC2)CCCOC1 ZINC000088437130 179601811 /nfs/dbraw/zinc/60/18/11/179601811.db2.gz ZXKSEGKNSJIUGJ-LBPRGKRZSA-N 1 0 281.318 2.050 10 0 CEAERO CCC[C@@]1(C(=O)NCC(C2CC2)C2CC2)CC[NH2+]C1 ZINC000088457125 179607888 /nfs/dbraw/zinc/60/78/88/179607888.db2.gz LYHJZHIQBXIVBN-MRXNPFEDSA-N 1 0 264.413 2.319 10 0 CEAERO CC(C)C[C@@H](C[NH3+])CC(=O)NCCC(F)(F)F ZINC000088288963 179574798 /nfs/dbraw/zinc/57/47/98/179574798.db2.gz HGVQBQVYAUGNCZ-SECBINFHSA-N 1 0 254.296 2.066 10 0 CEAERO COc1ccc(NC(=O)CC2C[NH2+]C2)cc1Br ZINC000088321587 179578337 /nfs/dbraw/zinc/57/83/37/179578337.db2.gz YFUPPDPPRPWESF-UHFFFAOYSA-N 1 0 299.168 2.006 10 0 CEAERO [NH3+][C@H](Cc1ccccc1)[C@H](O)CSc1ccc(O)cc1 ZINC000088398411 179591790 /nfs/dbraw/zinc/59/17/90/179591790.db2.gz LQJZJKAKPHSIBW-HZPDHXFCSA-N 1 0 289.400 2.415 10 0 CEAERO CCC[NH2+][C@H](C)c1ccccc1OCc1ncnn1C ZINC000088571665 179628157 /nfs/dbraw/zinc/62/81/57/179628157.db2.gz XGIZRJRZARFLOE-GFCCVEGCSA-N 1 0 274.368 2.455 10 0 CEAERO CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1Cc1ncnn1C ZINC000088580714 179629077 /nfs/dbraw/zinc/62/90/77/179629077.db2.gz MYUQWBUSMGCFFG-BFHYXJOUSA-N 1 0 264.417 2.408 10 0 CEAERO COc1ccc([C@](C)([NH3+])Cc2ncnn2CC(C)C)cc1 ZINC000088607056 179636712 /nfs/dbraw/zinc/63/67/12/179636712.db2.gz HJGPUSLZXSJZES-MRXNPFEDSA-N 1 0 288.395 2.359 10 0 CEAERO CCCn1ncnc1C[C@H](C[NH3+])Cc1ccc(OC)cc1 ZINC000088619978 179640460 /nfs/dbraw/zinc/64/04/60/179640460.db2.gz GPJDXHVJMVCXPR-CQSZACIVSA-N 1 0 288.395 2.057 10 0 CEAERO CCC[C@](C)(C[NH2+]C1CC1)Cc1ncnn1CC ZINC000088621220 179641283 /nfs/dbraw/zinc/64/12/83/179641283.db2.gz PRIGVXXZBKNIAJ-AWEZNQCLSA-N 1 0 250.390 2.399 10 0 CEAERO CCC[C@@H]1CN(Cc2ncnn2C(C)C)[C@H](C2CC2)C[NH2+]1 ZINC000088625149 179641720 /nfs/dbraw/zinc/64/17/20/179641720.db2.gz YKSILMBESVERNT-CABCVRRESA-N 1 0 291.443 2.212 10 0 CEAERO CCC[C@@H]1CN(Cc2ncnn2CCC)[C@H](C(C)C)C[NH2+]1 ZINC000088625143 179641729 /nfs/dbraw/zinc/64/17/29/179641729.db2.gz ZDCDRJUCLPIJFL-CABCVRRESA-N 1 0 293.459 2.287 10 0 CEAERO CC(C)Cn1ncnc1C[C@@H]1CCCC[C@@H]([NH3+])C1 ZINC000088623962 179642068 /nfs/dbraw/zinc/64/20/68/179642068.db2.gz QMYJVZIYRYVVIG-CHWSQXEVSA-N 1 0 250.390 2.384 10 0 CEAERO CC(C)[C@H]1CN(Cc2ncnn2C(C)C)[C@H](C2CC2)C[NH2+]1 ZINC000088625194 179642338 /nfs/dbraw/zinc/64/23/38/179642338.db2.gz GZFRHXDCWJORLP-CABCVRRESA-N 1 0 291.443 2.067 10 0 CEAERO CCCn1ncnc1CN1C[C@](C)(C2CC2)[NH2+]CC1(C)C ZINC000088625683 179643056 /nfs/dbraw/zinc/64/30/56/179643056.db2.gz RYRYIMKQYVUCFH-MRXNPFEDSA-N 1 0 291.443 2.041 10 0 CEAERO CCCN1CCC[C@@H]([NH3+])[C@@H]1c1cn2ccccc2n1 ZINC000088628184 179644089 /nfs/dbraw/zinc/64/40/89/179644089.db2.gz IFAADPDGUKOKBA-IUODEOHRSA-N 1 0 258.369 2.209 10 0 CEAERO CC[NH2+][C@H](Cc1ccncc1Cl)c1ccncn1 ZINC000088789422 179672251 /nfs/dbraw/zinc/67/22/51/179672251.db2.gz ZBQXESKMKLVFFR-CYBMUJFWSA-N 1 0 262.744 2.418 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)Nc1c(F)cc(F)cc1F ZINC000088720764 179658214 /nfs/dbraw/zinc/65/82/14/179658214.db2.gz ZYPFKGLXKNOXPE-SSDOTTSWSA-N 1 0 260.259 2.417 10 0 CEAERO CC[NH+](CC)CCSC[C@H](O)c1ccc(N)cc1 ZINC000088733955 179660817 /nfs/dbraw/zinc/66/08/17/179660817.db2.gz IWKRWUKEAOPULE-AWEZNQCLSA-N 1 0 268.426 2.377 10 0 CEAERO CCc1nc(CC)n([C@H](c2ccccc2)[C@@H](C)[NH3+])n1 ZINC000088739930 179662064 /nfs/dbraw/zinc/66/20/64/179662064.db2.gz SBNPQBXDFQLHCC-ABAIWWIYSA-N 1 0 258.369 2.340 10 0 CEAERO CCc1cc(N(C)c2cccc(C(N)=[NH2+])c2)nc(C)n1 ZINC000088760097 179666975 /nfs/dbraw/zinc/66/69/75/179666975.db2.gz ULGUNNCJYQOITR-UHFFFAOYSA-N 1 0 269.352 2.399 10 0 CEAERO CC[NH2+]CCCc1nnc(-c2ccncc2F)s1 ZINC000088811896 179676522 /nfs/dbraw/zinc/67/65/22/179676522.db2.gz PJOUZEGIOGKZNU-UHFFFAOYSA-N 1 0 266.345 2.281 10 0 CEAERO CCC[NH2+]CCCc1nnc(CCOCC)s1 ZINC000088812346 179676543 /nfs/dbraw/zinc/67/65/43/179676543.db2.gz IWQZWUPMJFCDLE-UHFFFAOYSA-N 1 0 257.403 2.049 10 0 CEAERO CCn1c2ccncc2nc1[C@@]1(CC)CCC[NH2+]C1 ZINC000088864846 179684793 /nfs/dbraw/zinc/68/47/93/179684793.db2.gz PSJQCPFYPXEMNU-HNNXBMFYSA-N 1 0 258.369 2.482 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1cc(Cl)ccc1F ZINC000089091451 179699375 /nfs/dbraw/zinc/69/93/75/179699375.db2.gz UFLVHTVDFYJFTE-PELKAZGASA-N 1 0 270.735 2.336 10 0 CEAERO COc1cccc(F)c1C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000089106260 179701748 /nfs/dbraw/zinc/70/17/48/179701748.db2.gz ABUGNNWXFJAIBO-JQWIXIFHSA-N 1 0 280.343 2.082 10 0 CEAERO CC(C)(C)c1nnsc1C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089106646 179702486 /nfs/dbraw/zinc/70/24/86/179702486.db2.gz CDRDQUAJTXBNNP-ZJUUUORDSA-N 1 0 296.440 2.083 10 0 CEAERO CC(C)n1cccc1C(=O)N(C)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089110666 179705395 /nfs/dbraw/zinc/70/53/95/179705395.db2.gz PENCHSGTBXDCDV-CHWSQXEVSA-N 1 0 263.385 2.268 10 0 CEAERO Cc1ccccc1S(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089132397 179713682 /nfs/dbraw/zinc/71/36/82/179713682.db2.gz PFVLMTUYNOWXFD-ZIAGYGMSSA-N 1 0 296.436 2.133 10 0 CEAERO CCN(C[C@@H]1CCCO1)c1ccc(F)cc1CC[NH3+] ZINC000104254215 185945147 /nfs/dbraw/zinc/94/51/47/185945147.db2.gz HSJQKMZPMDNRBZ-AWEZNQCLSA-N 1 0 266.360 2.332 10 0 CEAERO CC(C)NC(=O)c1cccc(N[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000089148777 179724848 /nfs/dbraw/zinc/72/48/48/179724848.db2.gz OLBPAVRWBCHBEA-ZFWWWQNUSA-N 1 0 275.396 2.364 10 0 CEAERO CC[NH2+][C@@H](Cc1nn(C)c2ccccc12)[C@@H]1CCCO1 ZINC000089178103 179742887 /nfs/dbraw/zinc/74/28/87/179742887.db2.gz XSHZUXUWJMBENU-HOCLYGCPSA-N 1 0 273.380 2.273 10 0 CEAERO C[NH2+][C@@H](Cc1nn(C)c2ccccc12)C[C@H]1CCCO1 ZINC000089177456 179742890 /nfs/dbraw/zinc/74/28/90/179742890.db2.gz XXOVLEUTMXFDBV-CHWSQXEVSA-N 1 0 273.380 2.273 10 0 CEAERO CC[NH2+][C@H](Cc1nn(C)c2ccccc12)[C@H]1CCOC1 ZINC000089178134 179743192 /nfs/dbraw/zinc/74/31/92/179743192.db2.gz LGFQIYNHTXUNEE-GXTWGEPZSA-N 1 0 273.380 2.130 10 0 CEAERO CCc1cc(CO[C@@]2(C[NH3+])CC[C@@H](C)C2)n(C)n1 ZINC000089180799 179744407 /nfs/dbraw/zinc/74/44/07/179744407.db2.gz CRVWGSAQIPRTIO-RISCZKNCSA-N 1 0 251.374 2.017 10 0 CEAERO CCC[NH2+]Cc1nccn1Cc1c(Cl)c(C)nn1C ZINC000089248058 179759989 /nfs/dbraw/zinc/75/99/89/179759989.db2.gz LAGBXTOLVSSGMK-UHFFFAOYSA-N 1 0 281.791 2.126 10 0 CEAERO Cc1nn(C)c(C[C@H]([NH3+])c2cc(C)ccn2)c1Cl ZINC000089251695 179760488 /nfs/dbraw/zinc/76/04/88/179760488.db2.gz ZSQSAVXGHAFHCM-JTQLQIEISA-N 1 0 264.760 2.328 10 0 CEAERO C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089449356 539716200 /nfs/dbraw/zinc/71/62/00/539716200.db2.gz VXGNVUOUJXGOAO-BNOWGMLFSA-N 1 0 258.365 2.339 10 0 CEAERO CCOc1ccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089448719 539716410 /nfs/dbraw/zinc/71/64/10/539716410.db2.gz WUYQXFWCTPKLEA-FZMZJTMJSA-N 1 0 262.353 2.399 10 0 CEAERO CCOCc1ccccc1CNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089454550 539716583 /nfs/dbraw/zinc/71/65/83/539716583.db2.gz GFQUOTHYFPOERD-BBRMVZONSA-N 1 0 290.407 2.214 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000089453120 539716703 /nfs/dbraw/zinc/71/67/03/539716703.db2.gz RATBLJKSIAALJW-PGOZJSOXSA-N 1 0 276.424 2.302 10 0 CEAERO CCC(=O)Nc1ccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089453167 539716790 /nfs/dbraw/zinc/71/67/90/539716790.db2.gz YEJODFYMEIYADB-FZMZJTMJSA-N 1 0 289.379 2.349 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000089453747 539716796 /nfs/dbraw/zinc/71/67/96/539716796.db2.gz BCAAQYIMJQGVPA-JSGCOSHPSA-N 1 0 284.363 2.390 10 0 CEAERO COc1cc(C)ccc1NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089454994 539717191 /nfs/dbraw/zinc/71/71/91/539717191.db2.gz VGLCFQCPSYXFOP-NEPJUHHUSA-N 1 0 262.353 2.317 10 0 CEAERO CN(CCOc1ccccc1F)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089455702 539717278 /nfs/dbraw/zinc/71/72/78/539717278.db2.gz IDQUMSFHHZBVGE-OLZOCXBDSA-N 1 0 294.370 2.038 10 0 CEAERO CN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089456098 539717541 /nfs/dbraw/zinc/71/75/41/539717541.db2.gz FBQAMCLFDCRPIZ-RYUDHWBXSA-N 1 0 282.334 2.298 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1nc2c(s1)CCCC2 ZINC000089460625 539718832 /nfs/dbraw/zinc/71/88/32/539718832.db2.gz KXUWZGQNMLUQEV-UWVGGRQHSA-N 1 0 279.409 2.335 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N(CC1CC1)CC1CC1 ZINC000089462898 539718928 /nfs/dbraw/zinc/71/89/28/539718928.db2.gz MGRPFFLNQWWGTH-ZIAGYGMSSA-N 1 0 250.386 2.010 10 0 CEAERO CCn1nc(C)c(Cl)c1CN1CC[NH2+][C@H](C(C)C)C1 ZINC000089304445 179767448 /nfs/dbraw/zinc/76/74/48/179767448.db2.gz BIQKLLCXKURBGL-LBPRGKRZSA-N 1 0 284.835 2.295 10 0 CEAERO CCc1nn(CC)c(CN2[C@H](C)C[NH2+]C[C@H]2C)c1Cl ZINC000089353504 179772177 /nfs/dbraw/zinc/77/21/77/179772177.db2.gz FLXHDUWRKCZRPL-GHMZBOCLSA-N 1 0 284.835 2.301 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@H](C)CN1Cc1csc(C)n1 ZINC000089270332 179763488 /nfs/dbraw/zinc/76/34/88/179763488.db2.gz DBMQFSONYWWATB-MFKMUULPSA-N 1 0 253.415 2.414 10 0 CEAERO CCN(Cc1ccncc1)C(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089392642 179779437 /nfs/dbraw/zinc/77/94/37/179779437.db2.gz PNASFPRJELWORG-CABCVRRESA-N 1 0 275.396 2.195 10 0 CEAERO COc1cc2nc([C@@H]3CCC[C@@H]3C[NH3+])[nH]c2cc1OC ZINC000089425391 179786159 /nfs/dbraw/zinc/78/61/59/179786159.db2.gz KSYQAECDGDPNAV-NXEZZACHSA-N 1 0 275.352 2.423 10 0 CEAERO CCN(c1ccccc1F)[C@H](C[NH3+])[C@@H]1CCCOC1 ZINC000104313164 185963544 /nfs/dbraw/zinc/96/35/44/185963544.db2.gz JGPSHDHGPREYJY-IUODEOHRSA-N 1 0 266.360 2.406 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1COc1ncnc2sccc21 ZINC000089538879 179814026 /nfs/dbraw/zinc/81/40/26/179814026.db2.gz CISHQQGWDTZIRC-UWVGGRQHSA-N 1 0 263.366 2.445 10 0 CEAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]C1CC(c2ccccc2F)C1 ZINC000336561683 213452654 /nfs/dbraw/zinc/45/26/54/213452654.db2.gz UCJQISFOEMGAJM-TVRADYJESA-N 1 0 276.355 2.328 10 0 CEAERO CC(C)c1nn(C)cc1C[NH2+]C[C@H]1CCC[C@@H]1CO ZINC000089487094 179801742 /nfs/dbraw/zinc/80/17/42/179801742.db2.gz SNUJAARCRBBNQI-CHWSQXEVSA-N 1 0 265.401 2.042 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1CNC(=O)c1c(F)cc(F)cc1F ZINC000089500771 179804894 /nfs/dbraw/zinc/80/48/94/179804894.db2.gz ZUEMAFNIMCLHAW-RKDXNWHRSA-N 1 0 286.297 2.209 10 0 CEAERO CCn1c2ncccc2nc1[C@]1(CC)CCC[NH2+]C1 ZINC000104319099 185966403 /nfs/dbraw/zinc/96/64/03/185966403.db2.gz VCWHISYKGXAUBB-OAHLLOKOSA-N 1 0 258.369 2.482 10 0 CEAERO CCCN(c1ccc(Cl)nn1)[C@@H]1CCC[NH2+]C1 ZINC000104339744 185975707 /nfs/dbraw/zinc/97/57/07/185975707.db2.gz BPDOYVYHUKLLJI-SNVBAGLBSA-N 1 0 254.765 2.098 10 0 CEAERO CC[NH2+]CCn1nnnc1S[C@@H]1CCCC[C@@H]1CC ZINC000089685693 179845883 /nfs/dbraw/zinc/84/58/83/179845883.db2.gz WRIYBPSHVXNHHY-NWDGAFQWSA-N 1 0 283.445 2.344 10 0 CEAERO COc1ccccc1[C@H]1C[NH2+]C[C@H]1NC(=O)OC(C)(C)C ZINC000068575225 362945024 /nfs/dbraw/zinc/94/50/24/362945024.db2.gz AZGMOUYTWMSTRT-CHWSQXEVSA-N 1 0 292.379 2.275 10 0 CEAERO CN1CCO[C@@H](C[NH2+]Cc2csc(C(F)(F)F)c2)C1 ZINC000623404973 350011322 /nfs/dbraw/zinc/01/13/22/350011322.db2.gz SHCQVUSOQXKRRI-JTQLQIEISA-N 1 0 294.342 2.187 10 0 CEAERO CCCN(C(=O)c1cccc2ncccc21)C1C[NH2+]C1 ZINC000090293142 179952144 /nfs/dbraw/zinc/95/21/44/179952144.db2.gz KQZSLTWHPYDFCW-UHFFFAOYSA-N 1 0 269.348 2.059 10 0 CEAERO O=C(Nc1ccccc1Cl)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090321729 179957928 /nfs/dbraw/zinc/95/79/28/179957928.db2.gz PXRAYWHOQBRUBO-NXEZZACHSA-N 1 0 265.744 2.023 10 0 CEAERO Cc1ccc(C(=O)N2C[C@@H]3C[NH2+]C[C@@H]3C2(C)C)cc1C ZINC000090336363 179965333 /nfs/dbraw/zinc/96/53/33/179965333.db2.gz GMHNFAFDQGYDRD-GJZGRUSLSA-N 1 0 272.392 2.373 10 0 CEAERO COc1ccccc1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1(C)C ZINC000090336710 179966187 /nfs/dbraw/zinc/96/61/87/179966187.db2.gz PUWYZALEYJIIFK-VXGBXAGGSA-N 1 0 289.379 2.157 10 0 CEAERO CCN(C(=O)CSCCC[NH3+])c1ccccc1C ZINC000090344773 179969938 /nfs/dbraw/zinc/96/99/38/179969938.db2.gz HMHNKJFWVMVIQO-UHFFFAOYSA-N 1 0 266.410 2.430 10 0 CEAERO CC(C)([NH3+])CSCCC(=O)NC1CCCCC1 ZINC000090358315 179976255 /nfs/dbraw/zinc/97/62/55/179976255.db2.gz HMQKUOIZGYWHBB-UHFFFAOYSA-N 1 0 258.431 2.296 10 0 CEAERO C[C@H]1CCC[C@H](C)N1C(=O)CSCC(C)(C)[NH3+] ZINC000090358248 179976346 /nfs/dbraw/zinc/97/63/46/179976346.db2.gz QOWXFIHTTPQEOV-QWRGUYRKSA-N 1 0 258.431 2.246 10 0 CEAERO CC(C)[NH2+]Cc1cn(-c2ccc(F)c(F)c2F)nn1 ZINC000090299434 179953350 /nfs/dbraw/zinc/95/33/50/179953350.db2.gz FEZDXSUBIFVJQA-UHFFFAOYSA-N 1 0 270.258 2.183 10 0 CEAERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1NC(=O)c1ccc(C(C)C)cc1 ZINC000090311391 179956559 /nfs/dbraw/zinc/95/65/59/179956559.db2.gz DJCFYSMVUNFRSM-ZNMIVQPWSA-N 1 0 276.380 2.045 10 0 CEAERO Cc1cc(Sc2nc3sccn3c2CC[NH3+])n(C)n1 ZINC000104442094 186003377 /nfs/dbraw/zinc/00/33/77/186003377.db2.gz WJZPWYIEPPYKCZ-UHFFFAOYSA-N 1 0 293.421 2.090 10 0 CEAERO CCCCN(CCCC)C(=O)[C@H]1COC[C@@H]1[NH2+]CC ZINC000090488407 179991490 /nfs/dbraw/zinc/99/14/90/179991490.db2.gz WPVNFAYXAFQBQK-KBPBESRZSA-N 1 0 270.417 2.040 10 0 CEAERO CC(C)C1CCC(C[NH2+][C@H]2CCOC[C@H]2O)CC1 ZINC000623767422 350107050 /nfs/dbraw/zinc/10/70/50/350107050.db2.gz VPEVNBCENVTIJJ-PFSRBDOWSA-N 1 0 255.402 2.188 10 0 CEAERO O[C@H]1COCC[C@H]1[NH2+]Cc1cc(Cl)sc1Cl ZINC000623766094 350107119 /nfs/dbraw/zinc/10/71/19/350107119.db2.gz AGHUQIWROCUZOX-SFYZADRCSA-N 1 0 282.192 2.294 10 0 CEAERO O[C@@H]1COCC[C@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000623767648 350107948 /nfs/dbraw/zinc/10/79/48/350107948.db2.gz ZNDHQBSLSVPZRR-KIDURHIOSA-N 1 0 281.318 2.095 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1c1nc2cnccc2s1 ZINC000090527465 179997752 /nfs/dbraw/zinc/99/77/52/179997752.db2.gz QZZXIAUXQHLQNR-MWLCHTKSSA-N 1 0 263.366 2.173 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1c(C)cccc1C ZINC000090539122 180000523 /nfs/dbraw/zinc/00/05/23/180000523.db2.gz UHXHTGFBLZWVCT-ZIAGYGMSSA-N 1 0 276.380 2.257 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1CN(C)c1cccc(F)c1 ZINC000090566731 180006868 /nfs/dbraw/zinc/00/68/68/180006868.db2.gz WMVBYOZOKUVBNT-WFASDCNBSA-N 1 0 266.360 2.277 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1CN(C)c1ccc(F)cc1 ZINC000090566683 180006964 /nfs/dbraw/zinc/00/69/64/180006964.db2.gz WVBPTFRRMIQZJD-WFASDCNBSA-N 1 0 266.360 2.277 10 0 CEAERO CC(C)(c1noc([C@]2(C)COC[C@@H]2[NH3+])n1)c1ccccc1 ZINC000090573800 180007310 /nfs/dbraw/zinc/00/73/10/180007310.db2.gz VZGSDLKVTJQLPD-BLLLJJGKSA-N 1 0 287.363 2.011 10 0 CEAERO C[C@@H]1C[C@@H]([NH2+]CCC(=O)NC2CC2)CC(C)(C)C1 ZINC000090714667 180028756 /nfs/dbraw/zinc/02/87/56/180028756.db2.gz QXTXOMDNZQFTQE-DGCLKSJQSA-N 1 0 252.402 2.460 10 0 CEAERO C[C@@]1(C(=O)Nc2ccc(Cl)cc2Cl)COC[C@H]1[NH3+] ZINC000090580353 180008637 /nfs/dbraw/zinc/00/86/37/180008637.db2.gz XQMTVMYRFWNFBF-ZYHUDNBSSA-N 1 0 289.162 2.296 10 0 CEAERO CC(C)[C@H](NC(=O)[C@]1(C)COC[C@@H]1[NH3+])c1ccc(F)cc1 ZINC000090586307 180009297 /nfs/dbraw/zinc/00/92/97/180009297.db2.gz YWFJQPHRSXHIKB-OFQRWUPVSA-N 1 0 294.370 2.003 10 0 CEAERO CCSc1ccccc1NC(=O)[C@]1(C)COC[C@@H]1[NH3+] ZINC000090590020 180010507 /nfs/dbraw/zinc/01/05/07/180010507.db2.gz BTEYXAPPDBFCON-GXTWGEPZSA-N 1 0 280.393 2.101 10 0 CEAERO CCN(C[C@]1(C)COC[C@@H]1[NH3+])c1cccc(F)c1 ZINC000090606925 180010891 /nfs/dbraw/zinc/01/08/91/180010891.db2.gz RJNCENQZSOFIQZ-UONOGXRCSA-N 1 0 252.333 2.016 10 0 CEAERO C[C@@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)NCC1(C)CCCC1 ZINC000104438840 186002444 /nfs/dbraw/zinc/00/24/44/186002444.db2.gz RGQAYDFWMVJDLI-UPJWGTAASA-N 1 0 252.402 2.446 10 0 CEAERO COC(C[C@H](C[NH3+])N1CCCCc2ccccc21)OC ZINC000090625465 180015469 /nfs/dbraw/zinc/01/54/69/180015469.db2.gz LURFDJHSKLVKPD-CQSZACIVSA-N 1 0 278.396 2.166 10 0 CEAERO CCC1(CC)CC[NH+]([C@@H](CN)CC(OC)OC)CC1 ZINC000090625345 180016023 /nfs/dbraw/zinc/01/60/23/180016023.db2.gz YHEBPRIZRDAROB-CYBMUJFWSA-N 1 0 272.433 2.225 10 0 CEAERO C[C@@H](OCCC(=O)Nc1ccccc1C[NH3+])C(F)(F)F ZINC000090671961 180020818 /nfs/dbraw/zinc/02/08/18/180020818.db2.gz SYONMXGWNSVDCI-SECBINFHSA-N 1 0 290.285 2.441 10 0 CEAERO CC[NH2+][C@](C)(CO)C[C@H](C)O[C@@H](C)C(F)(F)F ZINC000090676060 180022193 /nfs/dbraw/zinc/02/21/93/180022193.db2.gz QVXBNCNFILYMRK-GUBZILKMSA-N 1 0 257.296 2.093 10 0 CEAERO CCOCCC[NH2+]C[C@H](C)O[C@H](C)C(F)(F)F ZINC000090675789 180022201 /nfs/dbraw/zinc/02/22/01/180022201.db2.gz DHWYFWTZSPMKIK-VHSXEESVSA-N 1 0 257.296 2.359 10 0 CEAERO CCOC(=O)[C@](C)([NH3+])CCCCSCCCOC ZINC000104445492 186004600 /nfs/dbraw/zinc/00/46/00/186004600.db2.gz NDPZUKGXASWYEV-CYBMUJFWSA-N 1 0 277.430 2.207 10 0 CEAERO CC(C)Oc1cc(OC[C@H]2CCCC[C@H]2C[NH3+])ncn1 ZINC000090786356 180040939 /nfs/dbraw/zinc/04/09/39/180040939.db2.gz ZJFBHELWKVEJBH-QWHCGFSZSA-N 1 0 279.384 2.408 10 0 CEAERO CCOc1ncnc(NC[C@@H]([NH3+])c2ccccc2)c1C ZINC000090789599 180042119 /nfs/dbraw/zinc/04/21/19/180042119.db2.gz JOPWARVURNCCDO-CYBMUJFWSA-N 1 0 272.352 2.296 10 0 CEAERO COc1cc(NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)nc(C)n1 ZINC000090792717 180042804 /nfs/dbraw/zinc/04/28/04/180042804.db2.gz ZIUBBEBTOHSHKK-YHWZYXNKSA-N 1 0 276.384 2.221 10 0 CEAERO COc1cc(N[C@@H](C)C[NH+]2CCCCC2)nc(C)n1 ZINC000090792146 180042900 /nfs/dbraw/zinc/04/29/00/180042900.db2.gz SJHLPGZZHXVPHX-NSHDSACASA-N 1 0 264.373 2.080 10 0 CEAERO C[C@H]([NH2+]C[C@H](C)[S@](C)=O)c1ccc(F)cc1F ZINC000090843470 180044171 /nfs/dbraw/zinc/04/41/71/180044171.db2.gz HZALVXDUBGQACY-IRWWLHRVSA-N 1 0 261.337 2.382 10 0 CEAERO Cc1ncsc1CN(C)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000104449433 186005762 /nfs/dbraw/zinc/00/57/62/186005762.db2.gz WGMOSQNMNAQHCT-NEPJUHHUSA-N 1 0 253.415 2.401 10 0 CEAERO CCN1CCC[C@H]1C[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000090874226 180050036 /nfs/dbraw/zinc/05/00/36/180050036.db2.gz LNKKTJFCHHSCHR-GJZGRUSLSA-N 1 0 260.381 2.064 10 0 CEAERO CC(C)[NH2+]Cc1cccc(SC[C@H]2CNC(=O)O2)c1 ZINC000090872035 180050266 /nfs/dbraw/zinc/05/02/66/180050266.db2.gz YKTIIQORYOITKM-GFCCVEGCSA-N 1 0 280.393 2.385 10 0 CEAERO C[C@H](C[NH2+]C[C@H]1Cc2ccccc2O1)N1CCCCC1 ZINC000090874495 180050395 /nfs/dbraw/zinc/05/03/95/180050395.db2.gz NIGDMZBWNQNZPG-GDBMZVCRSA-N 1 0 274.408 2.454 10 0 CEAERO CC[C@H]([NH3+])Cc1nccn1C[C@@H]1Cc2ccccc2O1 ZINC000090877414 180052390 /nfs/dbraw/zinc/05/23/90/180052390.db2.gz FBTXXMDIJXLBKC-KBPBESRZSA-N 1 0 271.364 2.167 10 0 CEAERO Fc1ccc2c(c1)C[C@H](C[NH2+]CC[C@H]1CCCO1)O2 ZINC000090892297 180053565 /nfs/dbraw/zinc/05/35/65/180053565.db2.gz AYFFDRSKBYBFMH-ZIAGYGMSSA-N 1 0 265.328 2.288 10 0 CEAERO CCCn1c2ccncc2nc1-c1csc(CC[NH3+])n1 ZINC000090934799 180067164 /nfs/dbraw/zinc/06/71/64/180067164.db2.gz GRLPFASITCRZBV-UHFFFAOYSA-N 1 0 287.392 2.466 10 0 CEAERO COC[C@H](C)C[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892618 180054721 /nfs/dbraw/zinc/05/47/21/180054721.db2.gz RCALIXOQCAEKLC-MFKMUULPSA-N 1 0 253.317 2.001 10 0 CEAERO OCC1([NH2+]C[C@@H]2Cc3cc(F)ccc3O2)CCCCC1 ZINC000090892696 180055257 /nfs/dbraw/zinc/05/52/57/180055257.db2.gz XGUILMIBVJSDKT-AWEZNQCLSA-N 1 0 279.355 2.414 10 0 CEAERO CC[C@@](C)([NH3+])COC[C@H]1Cc2cc(F)ccc2O1 ZINC000090893726 180055842 /nfs/dbraw/zinc/05/58/42/180055842.db2.gz FJBFCQAPVMWZJK-TZMCWYRMSA-N 1 0 253.317 2.273 10 0 CEAERO CCN(C[C@@H]1Cc2cc(F)ccc2O1)[C@@H]1CCC[NH2+]C1 ZINC000090894293 180056251 /nfs/dbraw/zinc/05/62/51/180056251.db2.gz RAAYZQQENJFKOB-CABCVRRESA-N 1 0 278.371 2.203 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](C[NH2+]C[C@H]1CCCCN1C)O2 ZINC000090897797 180057049 /nfs/dbraw/zinc/05/70/49/180057049.db2.gz PIOOAYBJVAQCJE-CVEARBPZSA-N 1 0 274.408 2.372 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](C[NH2+]Cc1ccnc(C)n1)O2 ZINC000090897493 180057266 /nfs/dbraw/zinc/05/72/66/180057266.db2.gz GQXRBPRUSSAIMQ-HNNXBMFYSA-N 1 0 269.348 2.187 10 0 CEAERO CCCN(C[C@H]1Cc2cc(C)ccc2O1)[C@@H]1CC[NH2+]C1 ZINC000090900144 180058995 /nfs/dbraw/zinc/05/89/95/180058995.db2.gz QKGDUJTVOOSWLA-HZPDHXFCSA-N 1 0 274.408 2.372 10 0 CEAERO COC(=O)CCC[N@H+](C)C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090900832 180059324 /nfs/dbraw/zinc/05/93/24/180059324.db2.gz CXNIDODMCIHXDQ-AWEZNQCLSA-N 1 0 277.364 2.184 10 0 CEAERO Cc1ccc([C@@H](C[NH3+])N2C[C@H]3CC[C@@H](C2)O3)c(C)c1 ZINC000090905707 180059670 /nfs/dbraw/zinc/05/96/70/180059670.db2.gz JYPHQRBLGUZPDS-IJEWVQPXSA-N 1 0 260.381 2.166 10 0 CEAERO O[C@H](C[NH2+]C[C@@H]1Cc2cc(Cl)ccc2O1)C1CC1 ZINC000090904778 180059948 /nfs/dbraw/zinc/05/99/48/180059948.db2.gz LODIBKNGPGFOSS-QWHCGFSZSA-N 1 0 267.756 2.004 10 0 CEAERO [NH3+]C[C@@H](C1CCCCCC1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905697 180060137 /nfs/dbraw/zinc/06/01/37/180060137.db2.gz ICQIUSHGUZTLCB-ZNMIVQPWSA-N 1 0 252.402 2.147 10 0 CEAERO Cc1ccc(C)c([C@H]([NH3+])CN2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000090906067 180060862 /nfs/dbraw/zinc/06/08/62/180060862.db2.gz XTGZAYLOWUVZFF-IJEWVQPXSA-N 1 0 260.381 2.166 10 0 CEAERO C[NH2+][C@@H](CCN1C[C@H]2CC[C@@H](C1)O2)c1ccc(F)cc1 ZINC000090907585 180061823 /nfs/dbraw/zinc/06/18/23/180061823.db2.gz BNVANTBJDDHNLX-XHSDSOJGSA-N 1 0 278.371 2.340 10 0 CEAERO CCN(Cc1csc(CC[NH3+])n1)CC(F)(F)F ZINC000090958356 180074675 /nfs/dbraw/zinc/07/46/75/180074675.db2.gz ZMGQDDGHPVWFTQ-UHFFFAOYSA-N 1 0 267.320 2.029 10 0 CEAERO CC1(C)CCCN(Cc2csc(CC[NH3+])n2)C1 ZINC000090958701 180074921 /nfs/dbraw/zinc/07/49/21/180074921.db2.gz KSFRCJGLMNBAOC-UHFFFAOYSA-N 1 0 253.415 2.266 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+]CCc1ccccn1 ZINC000090958973 180075411 /nfs/dbraw/zinc/07/54/11/180075411.db2.gz CXMRIRSCVWQFKD-UHFFFAOYSA-N 1 0 275.377 2.434 10 0 CEAERO CC(C)C[C@@H](C[NH2+]Cc1sccc1N)N(C)C ZINC000090959260 180075475 /nfs/dbraw/zinc/07/54/75/180075475.db2.gz ZKJSIUVLOPMMDY-NSHDSACASA-N 1 0 255.431 2.396 10 0 CEAERO Nc1ccsc1C[NH2+]C1CCN(C2CC2)CC1 ZINC000090960069 180075477 /nfs/dbraw/zinc/07/54/77/180075477.db2.gz XAKMVVWEWHSIIZ-UHFFFAOYSA-N 1 0 251.399 2.047 10 0 CEAERO CC(=O)Nc1ccccc1C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000090961361 180075949 /nfs/dbraw/zinc/07/59/49/180075949.db2.gz XMWONSLDMDDFIB-IAQYHMDHSA-N 1 0 262.353 2.302 10 0 CEAERO CC(=O)Nc1ccccc1C[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000090962097 180076065 /nfs/dbraw/zinc/07/60/65/180076065.db2.gz VZQWXKOUEIYILK-KGLIPLIRSA-N 1 0 262.353 2.038 10 0 CEAERO CC1CCC(O)(C[NH2+]Cc2sccc2N)CC1 ZINC000090960844 180076084 /nfs/dbraw/zinc/07/60/84/180076084.db2.gz HAVMPFFNSKSBOG-UHFFFAOYSA-N 1 0 254.399 2.361 10 0 CEAERO CC(=O)Nc1ccccc1C[NH2+]CCN1CCCCC1 ZINC000090962429 180076815 /nfs/dbraw/zinc/07/68/15/180076815.db2.gz MBNDJNBRCTWWDK-UHFFFAOYSA-N 1 0 275.396 2.221 10 0 CEAERO CC(=O)Nc1ccccc1C[NH2+][C@@H](C)CN1CCCC1 ZINC000090962382 180076903 /nfs/dbraw/zinc/07/69/03/180076903.db2.gz VECFAYPCGQEYSI-ZDUSSCGKSA-N 1 0 275.396 2.219 10 0 CEAERO C[NH2+][C@H](c1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1Cc2ccccc21 ZINC000090983979 180080418 /nfs/dbraw/zinc/08/04/18/180080418.db2.gz KEEDJBCVYCEIJG-CZUORRHYSA-N 1 0 279.343 2.457 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCCN1C[C@H]1Cc2ccccc21 ZINC000090993369 180081948 /nfs/dbraw/zinc/08/19/48/180081948.db2.gz OJXCCBAXHQFJAU-CJNGLKHVSA-N 1 0 270.376 2.069 10 0 CEAERO CC(C)(C)OC[C@@H](O)C[NH2+]C[C@@H]1Cc2ccccc21 ZINC000090992508 180081957 /nfs/dbraw/zinc/08/19/57/180081957.db2.gz RFKDAVBARVSDHR-KBPBESRZSA-N 1 0 263.381 2.092 10 0 CEAERO C[NH2+]Cc1cn(CCn2cccn2)c2ccccc12 ZINC000090995357 180082777 /nfs/dbraw/zinc/08/27/77/180082777.db2.gz TYRZWRJCPXWRHD-UHFFFAOYSA-N 1 0 254.337 2.257 10 0 CEAERO CCNC(=O)CCn1cc(C[NH2+]C2CC2)c2ccccc21 ZINC000090995559 180082935 /nfs/dbraw/zinc/08/29/35/180082935.db2.gz GWERIJMNLBGNOB-UHFFFAOYSA-N 1 0 285.391 2.420 10 0 CEAERO CC(C)c1noc(Cn2cccc2C[NH2+]C2CC2)n1 ZINC000091001306 180083230 /nfs/dbraw/zinc/08/32/30/180083230.db2.gz WRSSDVHQYIQNNL-UHFFFAOYSA-N 1 0 260.341 2.295 10 0 CEAERO CCCn1ncnc1Cn1cccc1C[NH2+]C(C)C ZINC000091001136 180083334 /nfs/dbraw/zinc/08/33/34/180083334.db2.gz SIFYRTMFPQCSJY-UHFFFAOYSA-N 1 0 261.373 2.036 10 0 CEAERO COCc1cc(Cn2cccc2C[NH2+]C(C)C)no1 ZINC000091001233 180083346 /nfs/dbraw/zinc/08/33/46/180083346.db2.gz PRMZQXYBIKITLN-UHFFFAOYSA-N 1 0 263.341 2.169 10 0 CEAERO [NH3+]CCc1cccn1CCc1ccc2c(c1)CCO2 ZINC000091004950 180084227 /nfs/dbraw/zinc/08/42/27/180084227.db2.gz UISBNTAVDGJBBB-UHFFFAOYSA-N 1 0 256.349 2.167 10 0 CEAERO OC[C@H](Cc1ccccc1)[NH2+]Cc1c[nH]c2ncccc12 ZINC000091018417 180086764 /nfs/dbraw/zinc/08/67/64/180086764.db2.gz NJHBUSZAFAJMON-HNNXBMFYSA-N 1 0 281.359 2.256 10 0 CEAERO c1[nH]c2ncccc2c1C[NH2+]CCCOC[C@@H]1CCCO1 ZINC000091016271 180086911 /nfs/dbraw/zinc/08/69/11/180086911.db2.gz AJXFLDTYGKVRPW-AWEZNQCLSA-N 1 0 289.379 2.238 10 0 CEAERO CC(C)C[C@@H]([NH2+]Cc1c[nH]c2ncccc12)C(=O)N(C)C ZINC000091016405 180086983 /nfs/dbraw/zinc/08/69/83/180086983.db2.gz YDXHKJJMLMPTRL-CQSZACIVSA-N 1 0 288.395 2.155 10 0 CEAERO c1[nH]c2ncccc2c1C[NH2+]CCc1cccnc1 ZINC000091017070 180087356 /nfs/dbraw/zinc/08/73/56/180087356.db2.gz OIOXCLFSZHOWHX-UHFFFAOYSA-N 1 0 252.321 2.290 10 0 CEAERO C[NH2+]Cc1cn(Cc2ccccn2)c2ncccc12 ZINC000091019777 180087736 /nfs/dbraw/zinc/08/77/36/180087736.db2.gz SSWLLDWKJGIZQX-UHFFFAOYSA-N 1 0 252.321 2.199 10 0 CEAERO C[C@H]([NH3+])Cc1cn(Cc2ccncc2)c2ncccc12 ZINC000091021543 180088593 /nfs/dbraw/zinc/08/85/93/180088593.db2.gz BXBSIQQJGSYDRN-LBPRGKRZSA-N 1 0 266.348 2.369 10 0 CEAERO CC(C)(C)[NH2+]Cc1cn(Cc2ncon2)c2ncccc12 ZINC000091021016 180088679 /nfs/dbraw/zinc/08/86/79/180088679.db2.gz ZELKKDVHUHQTEO-UHFFFAOYSA-N 1 0 285.351 2.356 10 0 CEAERO C[C@@H]([NH3+])c1nc(-c2nc(-c3ccco3)no2)cs1 ZINC000090938959 180068302 /nfs/dbraw/zinc/06/83/02/180068302.db2.gz UXRJOEFNDSGXEK-ZCFIWIBFSA-N 1 0 262.294 2.473 10 0 CEAERO [NH3+]CCc1nc(C(=O)Nc2ccc(F)c(F)c2)cs1 ZINC000090945809 180069429 /nfs/dbraw/zinc/06/94/29/180069429.db2.gz KFVHTOYCVMFCEF-UHFFFAOYSA-N 1 0 283.303 2.175 10 0 CEAERO CCCn1cccc1C[NH2+]C[C@H]1CCC[C@@H]1CO ZINC000091127993 180099482 /nfs/dbraw/zinc/09/94/82/180099482.db2.gz OKGZYCKFFGZTDB-ZIAGYGMSSA-N 1 0 250.386 2.396 10 0 CEAERO CCCn1c(C[C@H]2CSCC[NH2+]2)nc2cccnc21 ZINC000091128711 180099992 /nfs/dbraw/zinc/09/99/92/180099992.db2.gz LHJPLWBWFQZIBJ-NSHDSACASA-N 1 0 276.409 2.089 10 0 CEAERO CCn1c(C[C@H]2CSCC[NH2+]2)nc2c1cccc2F ZINC000091128595 180100462 /nfs/dbraw/zinc/10/04/62/180100462.db2.gz CFXSQXWMGKWPNW-JTQLQIEISA-N 1 0 279.384 2.443 10 0 CEAERO CCn1c(C[C@H]2CSCC[NH2+]2)nc2ccccc21 ZINC000091128479 180100593 /nfs/dbraw/zinc/10/05/93/180100593.db2.gz MTBCPBFCFHYKBH-NSHDSACASA-N 1 0 261.394 2.304 10 0 CEAERO Cc1nnc(C[C@@H]2CSCC[NH2+]2)n1C1CCCCC1 ZINC000091129565 180100922 /nfs/dbraw/zinc/10/09/22/180100922.db2.gz NSNUVDOGIVRYRM-GFCCVEGCSA-N 1 0 280.441 2.339 10 0 CEAERO C[C@H]1CC(OC(=O)C[C@@H]2CSCC[NH2+]2)C[C@H](C)C1 ZINC000091130082 180101376 /nfs/dbraw/zinc/10/13/76/180101376.db2.gz XNOPMGQLKMGCOJ-IJLUTSLNSA-N 1 0 271.426 2.449 10 0 CEAERO CC(C)CN(CC(F)(F)F)C(=O)C[C@H]1CSCC[NH2+]1 ZINC000091136346 180105006 /nfs/dbraw/zinc/10/50/06/180105006.db2.gz DWBUUWUHQPJZLM-JTQLQIEISA-N 1 0 298.374 2.128 10 0 CEAERO CCCC1CCN([C@H](C[NH3+])CC(=O)NC(C)(C)C)CC1 ZINC000091321533 180134307 /nfs/dbraw/zinc/13/43/07/180134307.db2.gz AWKNDBFWTNIOPB-AWEZNQCLSA-N 1 0 283.460 2.131 10 0 CEAERO CCCC[NH+](CCCC)[C@@H](CN)CC(=O)N1CCCC1 ZINC000091323243 180134721 /nfs/dbraw/zinc/13/47/21/180134721.db2.gz KLZYAYYJWCONGD-OAHLLOKOSA-N 1 0 283.460 2.228 10 0 CEAERO O=C(NCCc1ccco1)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000091359484 180140318 /nfs/dbraw/zinc/14/03/18/180140318.db2.gz QYYMSEHHGVYGRW-SNPRPXQTSA-N 1 0 276.380 2.249 10 0 CEAERO CN(Cc1cscn1)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091360792 180141014 /nfs/dbraw/zinc/14/10/14/180141014.db2.gz GMEBOXCNRLHLCP-UBHSHLNASA-N 1 0 293.436 2.412 10 0 CEAERO COc1ccccc1[C@H](C[NH3+])S[C@@H](C)CCO ZINC000091262574 180116496 /nfs/dbraw/zinc/11/64/96/180116496.db2.gz MSSOAUWPYXYYLU-GWCFXTLKSA-N 1 0 255.383 2.199 10 0 CEAERO COc1ccc([C@@H](C[NH3+])S[C@H](C)CCO)cc1 ZINC000091262390 180116520 /nfs/dbraw/zinc/11/65/20/180116520.db2.gz ORJLWVWZOHHDLM-ZWNOBZJWSA-N 1 0 255.383 2.199 10 0 CEAERO CCN(Cc1cncn1C(C)C)[C@@H]1CCC[NH2+]C1 ZINC000091273022 180117695 /nfs/dbraw/zinc/11/76/95/180117695.db2.gz FEUXZAHHOFLZEX-CYBMUJFWSA-N 1 0 250.390 2.038 10 0 CEAERO CC(C)CN1CCC[C@H]([NH3+])[C@@H]1c1cncn1C1CC1 ZINC000091275641 180118618 /nfs/dbraw/zinc/11/86/18/180118618.db2.gz QTSMSCFABCCUGF-DZGCQCFKSA-N 1 0 262.401 2.338 10 0 CEAERO CC(C)(C)N1C(=O)CC[C@@H]([NH3+])[C@H]1c1cncn1C1CC1 ZINC000091275543 180119147 /nfs/dbraw/zinc/11/91/47/180119147.db2.gz VTRFWJPVOIIDSM-RISCZKNCSA-N 1 0 276.384 2.007 10 0 CEAERO C[C@H]1CCC[C@](CO)([NH2+]Cc2cncn2C2CC2)C1 ZINC000091275944 180119229 /nfs/dbraw/zinc/11/92/29/180119229.db2.gz RAWQSSCTEQGSIW-WFASDCNBSA-N 1 0 263.385 2.249 10 0 CEAERO CC(C)CN([C@H](C[NH3+])c1cncn1C1CC1)C1CC1 ZINC000091276418 180119543 /nfs/dbraw/zinc/11/95/43/180119543.db2.gz VMRJFLMYHRVPNL-CQSZACIVSA-N 1 0 262.401 2.338 10 0 CEAERO CCC(CC)N(C)[C@H](C[NH3+])c1cncn1C1CC1 ZINC000091276270 180119815 /nfs/dbraw/zinc/11/98/15/180119815.db2.gz TWLBYAQFLLALFR-CYBMUJFWSA-N 1 0 250.390 2.338 10 0 CEAERO CC(C)CN([C@@H](C[NH3+])c1cncn1C1CC1)C1CC1 ZINC000091276417 180119905 /nfs/dbraw/zinc/11/99/05/180119905.db2.gz VMRJFLMYHRVPNL-AWEZNQCLSA-N 1 0 262.401 2.338 10 0 CEAERO C[C@@H]1CCCN([C@@H](C[NH3+])c2cncn2C2CC2)[C@@H]1C ZINC000091276501 180119952 /nfs/dbraw/zinc/11/99/52/180119952.db2.gz KCBULAJYYIGQEL-BZPMIXESSA-N 1 0 262.401 2.338 10 0 CEAERO [NH3+]C[C@H](c1cncn1C1CC1)N(CC1CC1)CC1CC1 ZINC000091276598 180120005 /nfs/dbraw/zinc/12/00/05/180120005.db2.gz NPDSTVXIXJPOGY-OAHLLOKOSA-N 1 0 274.412 2.340 10 0 CEAERO CCCCCN(C)[C@H](C[NH3+])c1cncn1C1CC1 ZINC000091276238 180120361 /nfs/dbraw/zinc/12/03/61/180120361.db2.gz CIBNTJLMQYOKHO-CYBMUJFWSA-N 1 0 250.390 2.340 10 0 CEAERO CCC(CC)[C@H](C)NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000091291466 180122777 /nfs/dbraw/zinc/12/27/77/180122777.db2.gz CICJFJOZHXPCBB-CMPLNLGQSA-N 1 0 258.431 2.022 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCNC1=O)c1ccc(F)cc1C(F)(F)F ZINC000624010424 350169385 /nfs/dbraw/zinc/16/93/85/350169385.db2.gz OKAAGMHHUYCYJG-WRWORJQWSA-N 1 0 290.260 2.384 10 0 CEAERO CC(C)[C@H](NC(=O)C[C@H]1C[NH2+]CCO1)c1ccc(F)cc1 ZINC000091299870 180126808 /nfs/dbraw/zinc/12/68/08/180126808.db2.gz PQBIKTHZUMGLNK-HOCLYGCPSA-N 1 0 294.370 2.018 10 0 CEAERO C[NH+](C)[C@H]1CCCN(c2nc3c(s2)CCCC3=O)C1 ZINC000091432674 180153723 /nfs/dbraw/zinc/15/37/23/180153723.db2.gz JOCLIYGOYHNRSG-JTQLQIEISA-N 1 0 279.409 2.193 10 0 CEAERO CNc1c(F)cc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1F ZINC000091432720 180153898 /nfs/dbraw/zinc/15/38/98/180153898.db2.gz FPRAMLZXUGCRSX-LLVKDONJSA-N 1 0 297.349 2.173 10 0 CEAERO C[NH2+]Cc1cncc(Oc2ccc(CCOC)cc2)n1 ZINC000091434932 180154641 /nfs/dbraw/zinc/15/46/41/180154641.db2.gz XAKJKIONYMLAFC-UHFFFAOYSA-N 1 0 273.336 2.177 10 0 CEAERO Cc1ccc([C@H](O)[C@H](C)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091449020 180157673 /nfs/dbraw/zinc/15/76/73/180157673.db2.gz AWEUYHDKLZHZFF-BHYGNILZSA-N 1 0 276.424 2.443 10 0 CEAERO CCc1cc2c(ncnc2OC2CC(C[NH3+])C2)s1 ZINC000091459617 180160967 /nfs/dbraw/zinc/16/09/67/180160967.db2.gz PMHOCFSSMRAINB-UHFFFAOYSA-N 1 0 263.366 2.370 10 0 CEAERO CCc1nn(C)c(COC2CC(C[NH2+]C)C2)c1Cl ZINC000091470951 180164980 /nfs/dbraw/zinc/16/49/80/180164980.db2.gz SBAJKEKGLWYEDV-UHFFFAOYSA-N 1 0 271.792 2.151 10 0 CEAERO CN(CC1CC([NH3+])C1)C(=O)Nc1ccccc1F ZINC000091474715 180165727 /nfs/dbraw/zinc/16/57/27/180165727.db2.gz UTHXUVPRTPTFHQ-UHFFFAOYSA-N 1 0 251.305 2.027 10 0 CEAERO Cc1cc([C@@H]2[C@@H]([NH3+])CCC(=O)N2C)ccc1Br ZINC000091476133 180166237 /nfs/dbraw/zinc/16/62/37/180166237.db2.gz BUODJWXZSIDFLS-WCQYABFASA-N 1 0 297.196 2.378 10 0 CEAERO C[NH2+][C@H]1CCN(c2cc(C(F)(F)F)ccc2C)C1=O ZINC000091480233 180166608 /nfs/dbraw/zinc/16/66/08/180166608.db2.gz OJUCSEPKRCFZDK-JTQLQIEISA-N 1 0 272.270 2.339 10 0 CEAERO Cc1ccc(C(F)(F)F)cc1NS(=O)(=O)[C@@H](C)C[NH3+] ZINC000091479117 180166752 /nfs/dbraw/zinc/16/67/52/180166752.db2.gz ZZFUWRFFUJMUGJ-QMMMGPOBSA-N 1 0 296.314 2.103 10 0 CEAERO Cc1ccc(C(F)(F)F)cc1NS(=O)(=O)[C@H](C)C[NH3+] ZINC000091479121 180166791 /nfs/dbraw/zinc/16/67/91/180166791.db2.gz ZZFUWRFFUJMUGJ-MRVPVSSYSA-N 1 0 296.314 2.103 10 0 CEAERO Cc1ccc(C(F)(F)F)cc1NS(=O)(=O)CCC[NH3+] ZINC000091479134 180166886 /nfs/dbraw/zinc/16/68/86/180166886.db2.gz WDDCPSWQKDBOJN-UHFFFAOYSA-N 1 0 296.314 2.104 10 0 CEAERO C[N@H+](CC[C@H](N)c1ccc(Cl)cc1)CC1CC(O)C1 ZINC000091489218 180168534 /nfs/dbraw/zinc/16/85/34/180168534.db2.gz GXFKBYURZGUCOK-KWCHVYNWSA-N 1 0 282.815 2.433 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)Nc1ccccc1F ZINC000091496769 180172802 /nfs/dbraw/zinc/17/28/02/180172802.db2.gz SOJDSZKFCFUSGJ-GXSJLCMTSA-N 1 0 251.305 2.088 10 0 CEAERO Cc1ccc(C(=O)CN2CCC[C@@H]([NH+](C)C)C2)s1 ZINC000091394274 180146523 /nfs/dbraw/zinc/14/65/23/180146523.db2.gz GTEFPQOBLDPWSV-GFCCVEGCSA-N 1 0 266.410 2.265 10 0 CEAERO CS[C@@H](C)C[NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000091403109 180147262 /nfs/dbraw/zinc/14/72/62/180147262.db2.gz LUJRGZZWOBQDOT-DTWKUNHWSA-N 1 0 265.382 2.258 10 0 CEAERO C[C@@H](O)C(C)(C)C[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000091405641 180147793 /nfs/dbraw/zinc/14/77/93/180147793.db2.gz WILKAVUHNYJQPF-GDBMZVCRSA-N 1 0 276.424 2.382 10 0 CEAERO COc1cccc([C@H](C[NH2+]Cc2cnco2)N(C)C)c1 ZINC000091408374 180148139 /nfs/dbraw/zinc/14/81/39/180148139.db2.gz VBSPBZWFKDVGPV-HNNXBMFYSA-N 1 0 275.352 2.076 10 0 CEAERO CN(c1ccccc1)c1cncc(C[NH2+]C2CC2)n1 ZINC000091418342 180150328 /nfs/dbraw/zinc/15/03/28/180150328.db2.gz GBBDXUIAUSSMCN-UHFFFAOYSA-N 1 0 254.337 2.497 10 0 CEAERO COCCN(CC(C)C)c1cncc(C[NH2+]CC(C)C)n1 ZINC000091419955 180150534 /nfs/dbraw/zinc/15/05/34/180150534.db2.gz RKYISVURGSUDFE-UHFFFAOYSA-N 1 0 294.443 2.331 10 0 CEAERO CC(C)[NH2+]Cc1cncc(N(C)CC(C)(C)C)n1 ZINC000091420664 180150547 /nfs/dbraw/zinc/15/05/47/180150547.db2.gz SISMUAXEZMRWTG-UHFFFAOYSA-N 1 0 250.390 2.457 10 0 CEAERO CC[C@@H](C)CN(C)c1cncc(C[NH2+]C(C)C)n1 ZINC000091419198 180150741 /nfs/dbraw/zinc/15/07/41/180150741.db2.gz SSJHFCIBCLFFBQ-GFCCVEGCSA-N 1 0 250.390 2.457 10 0 CEAERO CCC[NH2+]Cc1cncc(N(C)[C@@H](C)C(C)C)n1 ZINC000091419392 180150888 /nfs/dbraw/zinc/15/08/88/180150888.db2.gz BHTXSHXIORZCLJ-LBPRGKRZSA-N 1 0 250.390 2.457 10 0 CEAERO CC(C)[NH2+]Cc1cncc(-n2cc(C(F)(F)F)cn2)n1 ZINC000091422553 180151263 /nfs/dbraw/zinc/15/12/63/180151263.db2.gz OCEXDVRAAADVDL-UHFFFAOYSA-N 1 0 285.273 2.179 10 0 CEAERO Cc1ncn(-c2cncc(C[NH2+]C(C)(C)C)n2)c1C ZINC000091422489 180151456 /nfs/dbraw/zinc/15/14/56/180151456.db2.gz GRRMLQXRFIDAMR-UHFFFAOYSA-N 1 0 259.357 2.167 10 0 CEAERO CC(C)(C)[NH2+]Cc1cncc(-n2cc(Cl)cn2)n1 ZINC000091422411 180151540 /nfs/dbraw/zinc/15/15/40/180151540.db2.gz GXMVAASIVPXSHR-UHFFFAOYSA-N 1 0 265.748 2.204 10 0 CEAERO CCn1nc(C)c(N)c1N[C@@H](CC(C)C)C[NH+](C)C ZINC000091559116 180191364 /nfs/dbraw/zinc/19/13/64/180191364.db2.gz GTUXKKJIBMWFRJ-LBPRGKRZSA-N 1 0 267.421 2.182 10 0 CEAERO C[NH2+][C@H](c1cnccc1N)C(C)(C)N1CCCCC1 ZINC000091564798 180193572 /nfs/dbraw/zinc/19/35/72/180193572.db2.gz CEJABIJLXGXGJW-CQSZACIVSA-N 1 0 262.401 2.189 10 0 CEAERO CC(C)([C@H]([NH3+])c1ccc(F)c(F)c1)N1CCOCC1 ZINC000091566265 180194034 /nfs/dbraw/zinc/19/40/34/180194034.db2.gz FBKXMSMRDIAXMX-CYBMUJFWSA-N 1 0 270.323 2.075 10 0 CEAERO Cc1ccc(C[C@H]([NH3+])C(C)(C)N2CCOCC2)cc1C ZINC000091566251 180194085 /nfs/dbraw/zinc/19/40/85/180194085.db2.gz DIIYUYKREIKWAV-INIZCTEOSA-N 1 0 276.424 2.284 10 0 CEAERO CC(C)([C@H]([NH3+])c1ccccc1Cl)N1CCOCC1 ZINC000091566094 180194165 /nfs/dbraw/zinc/19/41/65/180194165.db2.gz SPLAWLBHKVCFSN-CYBMUJFWSA-N 1 0 268.788 2.451 10 0 CEAERO CC(C)([C@@H]([NH3+])c1cccc(F)c1F)N1CCOCC1 ZINC000091566368 180194244 /nfs/dbraw/zinc/19/42/44/180194244.db2.gz KISRWULERKTLHX-ZDUSSCGKSA-N 1 0 270.323 2.075 10 0 CEAERO CN[C@H](c1cnn(C)c1)C(C)(C)[NH+]1CCCCCC1 ZINC000091568260 180194582 /nfs/dbraw/zinc/19/45/82/180194582.db2.gz WRJDEUYJHQPSFI-CQSZACIVSA-N 1 0 264.417 2.335 10 0 CEAERO CCn1nc(C)cc1C[C@H]([NH2+]C)[C@](C)(CC)N(C)C ZINC000091570630 180195327 /nfs/dbraw/zinc/19/53/27/180195327.db2.gz RCMSBOSSKHCDIC-GJZGRUSLSA-N 1 0 266.433 2.072 10 0 CEAERO CCn1nc(C)cc1C[C@@H]([NH2+]C)[C@](C)(CC)N(C)C ZINC000091570628 180195349 /nfs/dbraw/zinc/19/53/49/180195349.db2.gz RCMSBOSSKHCDIC-CABCVRRESA-N 1 0 266.433 2.072 10 0 CEAERO CCc1cc(C[C@@H](N)[C@@](C)(CC)[NH+](C)C)n(CC)n1 ZINC000091569953 180195778 /nfs/dbraw/zinc/19/57/78/180195778.db2.gz CHTPPCDWADNLSN-HUUCEWRRSA-N 1 0 266.433 2.066 10 0 CEAERO CC[C@](C)([C@H](N)Cc1ccc(OC)c(F)c1)[NH+](C)C ZINC000091569645 180195870 /nfs/dbraw/zinc/19/58/70/180195870.db2.gz BRCKOKKNQWICIP-HUUCEWRRSA-N 1 0 268.376 2.434 10 0 CEAERO CC[C@](C)([C@@H](O)c1ccc2c(c1)OCCO2)[NH+](C)C ZINC000091569303 180195934 /nfs/dbraw/zinc/19/59/34/180195934.db2.gz VDJALYDEQMICQV-LSDHHAIUSA-N 1 0 265.353 2.222 10 0 CEAERO CCC[NH2+][C@H](c1nccn1C)[C@](C)(CC)N(C)C ZINC000091571887 180196135 /nfs/dbraw/zinc/19/61/35/180196135.db2.gz YPJHDJMNIMFYCQ-OCCSQVGLSA-N 1 0 252.406 2.191 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@@H](O)Cc1ccnc(N)c1 ZINC000091572950 180196642 /nfs/dbraw/zinc/19/66/42/180196642.db2.gz UDXUWTCETQAENF-ZFWWWQNUSA-N 1 0 265.401 2.078 10 0 CEAERO CCC[NH2+][C@H](Cc1cnccc1N)[C@@](C)(CC)N(C)C ZINC000091571797 180196699 /nfs/dbraw/zinc/19/66/99/180196699.db2.gz HXEBXYUBJYJXQB-HZPDHXFCSA-N 1 0 278.444 2.305 10 0 CEAERO CCn1nccc1[C@@H](N)[C@@](C)(CC)[NH+]1CCCC1 ZINC000091604660 180203468 /nfs/dbraw/zinc/20/34/68/180203468.db2.gz HWIOOHHWVDKJKW-ZIAGYGMSSA-N 1 0 250.390 2.167 10 0 CEAERO CCn1cc([C@@H](N)[C@](C)(CC)[NH+]2CCCC2)cn1 ZINC000091605642 180203866 /nfs/dbraw/zinc/20/38/66/180203866.db2.gz XXHGFIUREVGJAA-KGLIPLIRSA-N 1 0 250.390 2.167 10 0 CEAERO O=C(NCCc1ccsc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105135336 186043904 /nfs/dbraw/zinc/04/39/04/186043904.db2.gz LIGDOYFHVGIVGB-CQSZACIVSA-N 1 0 293.436 2.170 10 0 CEAERO CC[C@](C)([C@@H](N)c1c(C)ccnc1N)[NH+]1CCCC1 ZINC000091604785 180204158 /nfs/dbraw/zinc/20/41/58/180204158.db2.gz YAIIIMJFPCKVRU-DZGCQCFKSA-N 1 0 262.401 2.237 10 0 CEAERO CC[C@](C)([C@H](N)c1c(C)ccnc1N)[NH+]1CCCC1 ZINC000091604779 180204721 /nfs/dbraw/zinc/20/47/21/180204721.db2.gz YAIIIMJFPCKVRU-UKRRQHHQSA-N 1 0 262.401 2.237 10 0 CEAERO CC[C@@](C)([C@@H](Cc1cnccc1N)[NH2+]C)N1CCCCC1 ZINC000091609681 180205227 /nfs/dbraw/zinc/20/52/27/180205227.db2.gz XSKMDPSOOPTRCT-SJORKVTESA-N 1 0 290.455 2.449 10 0 CEAERO CC[C@](C)([C@@H](N)c1cnccc1N)[NH+]1CCCCC1 ZINC000091609140 180205444 /nfs/dbraw/zinc/20/54/44/180205444.db2.gz MLKXPDJOYCDVSL-LSDHHAIUSA-N 1 0 262.401 2.318 10 0 CEAERO CC[C@](C)([C@@H](N)Cc1ncnn1C(C)C)[NH+]1CCCCC1 ZINC000091609540 180205583 /nfs/dbraw/zinc/20/55/83/180205583.db2.gz DSPKWGHGIBZJGK-GOEBONIOSA-N 1 0 293.459 2.383 10 0 CEAERO CC[C@](C)([C@@H]([NH3+])c1cccc(C)c1)N1CCOCC1 ZINC000091611856 180206169 /nfs/dbraw/zinc/20/61/69/180206169.db2.gz HUGCNYJHZDVZMW-JKSUJKDBSA-N 1 0 262.397 2.496 10 0 CEAERO CC[C@@](C)([C@H](O)Cc1ccsc1)[NH+]1CCOCC1 ZINC000091611205 180206391 /nfs/dbraw/zinc/20/63/91/180206391.db2.gz KJNDNWYFVSUOTN-KGLIPLIRSA-N 1 0 269.410 2.152 10 0 CEAERO CC[C@](C)([C@H](O)Cc1ccsc1)[NH+]1CCOCC1 ZINC000091611206 180206587 /nfs/dbraw/zinc/20/65/87/180206587.db2.gz KJNDNWYFVSUOTN-ZIAGYGMSSA-N 1 0 269.410 2.152 10 0 CEAERO CC[C@@](C)([C@H]([NH3+])c1ccsc1)N1CCOCC1 ZINC000091611617 180206769 /nfs/dbraw/zinc/20/67/69/180206769.db2.gz YYTJGBHWGKJMBE-OLZOCXBDSA-N 1 0 254.399 2.249 10 0 CEAERO CC[C@](C)([C@@H]([NH2+]C)c1ccccc1OC)N1CCOCC1 ZINC000091612280 180207020 /nfs/dbraw/zinc/20/70/20/180207020.db2.gz WKAWYGVVLNVOPA-DLBZAZTESA-N 1 0 292.423 2.457 10 0 CEAERO CCC[NH2+][C@@H](C1CCOCC1)[C@@](C)(CC)N1CCOCC1 ZINC000091613077 180207065 /nfs/dbraw/zinc/20/70/65/180207065.db2.gz SMURHIDRKBUDIZ-DLBZAZTESA-N 1 0 298.471 2.282 10 0 CEAERO CC[NH2+][C@@H]1C(=O)Nc2cc(Sc3cnn(C)c3)ccc21 ZINC000104932105 186033261 /nfs/dbraw/zinc/03/32/61/186033261.db2.gz MUWOCBBJIRPKIV-ZDUSSCGKSA-N 1 0 288.376 2.174 10 0 CEAERO CC[C@](C)([C@@H]([NH3+])Cc1ccc(F)cc1F)N1CCOCC1 ZINC000091612080 180207244 /nfs/dbraw/zinc/20/72/44/180207244.db2.gz JQNIMNQFIWECCZ-JKSUJKDBSA-N 1 0 298.377 2.336 10 0 CEAERO CC[C@@](C)([C@H]([NH2+]C)c1ccc(OC)cc1)N1CCOCC1 ZINC000091612217 180207349 /nfs/dbraw/zinc/20/73/49/180207349.db2.gz HUCRBKOTTFRJHK-SJORKVTESA-N 1 0 292.423 2.457 10 0 CEAERO CCCn1ccnc1[C@@H](N)C(CC)(CC)[NH+](C)C ZINC000091614140 180207899 /nfs/dbraw/zinc/20/78/99/180207899.db2.gz HWABUEXKPIRMTM-GFCCVEGCSA-N 1 0 252.406 2.413 10 0 CEAERO COCC[NH2+]CC[C@](C)(O)Cc1ccc(Cl)cc1 ZINC000091505559 180175814 /nfs/dbraw/zinc/17/58/14/180175814.db2.gz ADZCHHJWRPWPHF-AWEZNQCLSA-N 1 0 271.788 2.260 10 0 CEAERO CCCC1CCC(c2noc(C[C@](C)(O)C[NH3+])n2)CC1 ZINC000091523669 180177904 /nfs/dbraw/zinc/17/79/04/180177904.db2.gz IJQZGJIPFUBGAN-QOZQQMKHSA-N 1 0 281.400 2.396 10 0 CEAERO COCC[NH2+]CC[C@](C)(O)c1ccc(C)c(C)c1 ZINC000091521063 180177956 /nfs/dbraw/zinc/17/79/56/180177956.db2.gz VYWVXBUETCZYQS-HNNXBMFYSA-N 1 0 251.370 2.137 10 0 CEAERO OC1CC(C[NH2+]Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000091524466 180178207 /nfs/dbraw/zinc/17/82/07/180178207.db2.gz LBNWQCBVYZWSPO-UHFFFAOYSA-N 1 0 275.270 2.446 10 0 CEAERO COc1ccc([C@@H](O)C(C)(C)[NH+](C)C)c(OC)c1 ZINC000091528325 180179525 /nfs/dbraw/zinc/17/95/25/180179525.db2.gz SNZHEIKFGBWOJL-CYBMUJFWSA-N 1 0 253.342 2.077 10 0 CEAERO CCn1ccnc1[C@H](NC)C(C)(C)[NH+](CC)CC ZINC000091531008 180180233 /nfs/dbraw/zinc/18/02/33/180180233.db2.gz GNDOXLKTTHGHQN-LBPRGKRZSA-N 1 0 252.406 2.284 10 0 CEAERO C[NH+](C)C(C)(C)[C@H](N)c1ccc2c(c1)OCCCO2 ZINC000091528529 180180640 /nfs/dbraw/zinc/18/06/40/180180640.db2.gz UTRQSSWWBBLSBH-CQSZACIVSA-N 1 0 264.369 2.188 10 0 CEAERO CCN(CC)C(C)(C)[C@@H]([NH2+]C)c1c(C)ccnc1N ZINC000091530701 180180761 /nfs/dbraw/zinc/18/07/61/180180761.db2.gz XVJYDUMAVAJVLC-ZDUSSCGKSA-N 1 0 264.417 2.353 10 0 CEAERO CCCn1ccnc1[C@@H](O)C(C)(C)[NH+]1CCCC1 ZINC000091533397 180181356 /nfs/dbraw/zinc/18/13/56/180181356.db2.gz UPUFMMRMBOQSRO-GFCCVEGCSA-N 1 0 251.374 2.201 10 0 CEAERO C[C@@H]1CCC[C@H](CCNC(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000091541720 180183482 /nfs/dbraw/zinc/18/34/82/180183482.db2.gz KHDWTUDGEYTXIH-SYQHCUMBSA-N 1 0 252.402 2.446 10 0 CEAERO COc1cc(Cl)c(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc1OC ZINC000091541079 180183852 /nfs/dbraw/zinc/18/38/52/180183852.db2.gz LPXARQSWWZQWAW-RKDXNWHRSA-N 1 0 298.770 2.423 10 0 CEAERO CSc1ccc(CN(C)C(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000091541247 180183893 /nfs/dbraw/zinc/18/38/93/180183893.db2.gz FYLASYDTJVPVOU-CHWSQXEVSA-N 1 0 278.421 2.494 10 0 CEAERO CCOc1cc(F)ccc1NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091544063 180185116 /nfs/dbraw/zinc/18/51/16/180185116.db2.gz MOQNOBTUEISQLR-ONGXEEELSA-N 1 0 266.316 2.290 10 0 CEAERO COC(=O)c1cc(NCC[NH+]2CCC(C)CC2)ccn1 ZINC000091544829 180185758 /nfs/dbraw/zinc/18/57/58/180185758.db2.gz VCAWTEVCPFYSOK-UHFFFAOYSA-N 1 0 277.368 2.012 10 0 CEAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(C(C)C)C2=O)s1 ZINC000105034615 186038532 /nfs/dbraw/zinc/03/85/32/186038532.db2.gz UWEJBRPAGIWSOK-WDEREUQCSA-N 1 0 280.393 2.243 10 0 CEAERO CCOc1ccc(CN(C)C(=O)[C@H]2CC[C@H]([NH3+])C2)cc1 ZINC000091547333 180187581 /nfs/dbraw/zinc/18/75/81/180187581.db2.gz UIBCRKPLXNJKNQ-KBPBESRZSA-N 1 0 276.380 2.171 10 0 CEAERO O=C1C[C@@H]([NH2+]C(C2CC2)C2CC2)C(=O)N1c1ccccc1 ZINC000105044879 186038801 /nfs/dbraw/zinc/03/88/01/186038801.db2.gz RMDUBHYLSTYFAJ-CQSZACIVSA-N 1 0 284.359 2.097 10 0 CEAERO CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091548312 180188254 /nfs/dbraw/zinc/18/82/54/180188254.db2.gz LFOKHCDJLOHQEN-NEPJUHHUSA-N 1 0 282.334 2.441 10 0 CEAERO [NH3+][C@H]1CC[C@@H](C(=O)N2CC=C(c3ccccc3)CC2)C1 ZINC000091548970 180188451 /nfs/dbraw/zinc/18/84/51/180188451.db2.gz VGDLENOBOJEDAD-CVEARBPZSA-N 1 0 270.376 2.430 10 0 CEAERO CC[NH+](CC)C1([C@@H](N)Cc2ncnn2C(C)C)CCCC1 ZINC000091639381 180211891 /nfs/dbraw/zinc/21/18/91/180211891.db2.gz LNQXAKZBTCEUAE-AWEZNQCLSA-N 1 0 293.459 2.383 10 0 CEAERO CCN(CC)C1([C@@H]([NH2+]C)[C@@H]2CCOC2)CCCC1 ZINC000091639431 180211986 /nfs/dbraw/zinc/21/19/86/180211986.db2.gz UCDKNTKMDDRVSV-KGLIPLIRSA-N 1 0 254.418 2.266 10 0 CEAERO Cn1nccc1[C@H](N)C1([NH+]2CCCCC2)CCCC1 ZINC000091641957 180213202 /nfs/dbraw/zinc/21/32/02/180213202.db2.gz XORAZSIDTDNXPA-AWEZNQCLSA-N 1 0 262.401 2.219 10 0 CEAERO CCN[C@@H](c1ccnn1C)C1([NH+]2CCCC2)CCCC1 ZINC000091641199 180213400 /nfs/dbraw/zinc/21/34/00/180213400.db2.gz XWQHHTSMDCIIFT-HNNXBMFYSA-N 1 0 276.428 2.479 10 0 CEAERO CC(C)CC[C@H](O)C1([NH+]2CCOCC2)CCCC1 ZINC000091642587 180213806 /nfs/dbraw/zinc/21/38/06/180213806.db2.gz YRIRVMDNYYJKIA-AWEZNQCLSA-N 1 0 255.402 2.429 10 0 CEAERO C[NH2+][C@@H](CC(C)C)C1(N2CCOCC2)CCCC1 ZINC000091643119 180214323 /nfs/dbraw/zinc/21/43/23/180214323.db2.gz NCRUSYFWGFUBFB-AWEZNQCLSA-N 1 0 254.418 2.266 10 0 CEAERO CC[NH2+][C@@H](Cc1cccnc1N)C1(N(C)C)CCCCC1 ZINC000091647808 180215154 /nfs/dbraw/zinc/21/51/54/180215154.db2.gz ICMSYNYCQWLAGX-HNNXBMFYSA-N 1 0 290.455 2.449 10 0 CEAERO C[NH2+][C@H](c1cnccc1N)C1(N(C)C)CCCCC1 ZINC000091647484 180215386 /nfs/dbraw/zinc/21/53/86/180215386.db2.gz YGSJHAOGABCMKI-CQSZACIVSA-N 1 0 262.401 2.189 10 0 CEAERO CCn1nc(C)cc1C[C@H](O)C1([NH+](C)C)CCCCC1 ZINC000091646632 180215615 /nfs/dbraw/zinc/21/56/15/180215615.db2.gz KTFSYMSGBGUJSC-HNNXBMFYSA-N 1 0 279.428 2.379 10 0 CEAERO C[C@H]1CCC[C@](C(=O)c2cccnc2N)([NH+](C)C)C1 ZINC000091649642 180216152 /nfs/dbraw/zinc/21/61/52/180216152.db2.gz GZYPGEDAYURBLC-NHYWBVRUSA-N 1 0 261.369 2.357 10 0 CEAERO CC(C)n1ncnc1C[C@@H](N)[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000091652472 180216793 /nfs/dbraw/zinc/21/67/93/180216793.db2.gz WKTRYYZORZPJQH-IIAWOOMASA-N 1 0 293.459 2.239 10 0 CEAERO C[N@@H+]1CCC[C@H]1CCOc1nc(Cl)ncc1F ZINC000091655014 180216841 /nfs/dbraw/zinc/21/68/41/180216841.db2.gz QHWADHUYNKEBID-QMMMGPOBSA-N 1 0 259.712 2.132 10 0 CEAERO CCn1ncnc1C[C@@H]([NH2+]C)C1(N(C)C)CCCCCC1 ZINC000091654616 180216874 /nfs/dbraw/zinc/21/68/74/180216874.db2.gz JNVDUCOPQXFMCN-CQSZACIVSA-N 1 0 293.459 2.083 10 0 CEAERO Cn1nccc1[C@@H](N)C1([NH+](C)C)CCCCCC1 ZINC000091654216 180216996 /nfs/dbraw/zinc/21/69/96/180216996.db2.gz HZILZUBBAIJQGO-CYBMUJFWSA-N 1 0 250.390 2.075 10 0 CEAERO C[NH2+][C@@H](Cc1cccnc1N)C1(N(C)C)CCCCCC1 ZINC000091654459 180217143 /nfs/dbraw/zinc/21/71/43/180217143.db2.gz MVYYWWTVLRXOAI-HNNXBMFYSA-N 1 0 290.455 2.449 10 0 CEAERO Cc1cc(C[C@H](O)[C@]2([NH+](C)C)CCC[C@H](C)C2)n(C)n1 ZINC000091651354 180217426 /nfs/dbraw/zinc/21/74/26/180217426.db2.gz XKLLESDPUJHOTG-RCBQFDQVSA-N 1 0 279.428 2.142 10 0 CEAERO CCN(CC)C(=O)CC[NH2+][C@H]1CCCc2cccnc21 ZINC000091661100 180218289 /nfs/dbraw/zinc/21/82/89/180218289.db2.gz DJWIGXQUXUAWGT-AWEZNQCLSA-N 1 0 275.396 2.307 10 0 CEAERO Cc1cnc(Cl)nc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000091658768 180218477 /nfs/dbraw/zinc/21/84/77/180218477.db2.gz KJJOKJZOIFAZMZ-SECBINFHSA-N 1 0 252.749 2.087 10 0 CEAERO O[C@H]1COCC[C@@H]1[NH2+]C1CCC(C2CCC2)CC1 ZINC000624239730 350241888 /nfs/dbraw/zinc/24/18/88/350241888.db2.gz RYYMXRQZVRGWKQ-WUCCLRPBSA-N 1 0 253.386 2.085 10 0 CEAERO Cc1cc([C@H](O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1F ZINC000091715448 180232065 /nfs/dbraw/zinc/23/20/65/180232065.db2.gz PJALIEYTFSQXGK-YUELXQCFSA-N 1 0 265.328 2.031 10 0 CEAERO CCC1CCC([C@@H]([NH2+]C)[C@@H]2CN(C)CCO2)CC1 ZINC000091718095 180232073 /nfs/dbraw/zinc/23/20/73/180232073.db2.gz QHJZRYCNXPLPGA-PFSRBDOWSA-N 1 0 254.418 2.121 10 0 CEAERO CCCc1ccc([C@H]([NH2+]C)[C@@H]2CN(C)CCO2)cc1 ZINC000091717702 180232153 /nfs/dbraw/zinc/23/21/53/180232153.db2.gz ADINMKVAKXVBOM-HOTGVXAUSA-N 1 0 262.397 2.230 10 0 CEAERO CCN[C@H](CC[NH+](CC)CC)c1ccnn1CC ZINC000091716395 180232614 /nfs/dbraw/zinc/23/26/14/180232614.db2.gz MPCDXFSBLXDMTM-CYBMUJFWSA-N 1 0 252.406 2.286 10 0 CEAERO C[NH2+][C@H](Cc1ccc(C(C)C)cc1)[C@@H]1CN(C)CCO1 ZINC000091717935 180232960 /nfs/dbraw/zinc/23/29/60/180232960.db2.gz KLDYKMCTEWGRQV-SJORKVTESA-N 1 0 276.424 2.271 10 0 CEAERO CC[NH2+][C@@H](c1cccc2cnccc21)[C@@H]1CN(C)CCO1 ZINC000091718730 180233136 /nfs/dbraw/zinc/23/31/36/180233136.db2.gz XQKOMPNYPXGISA-IRXDYDNUSA-N 1 0 285.391 2.216 10 0 CEAERO CC[NH2+][C@H](Cc1ccc2c(c1)CCC2)[C@@H]1CN(C)CCO1 ZINC000091718239 180233580 /nfs/dbraw/zinc/23/35/80/180233580.db2.gz VQYWOMCSGICTGY-MSOLQXFVSA-N 1 0 288.435 2.027 10 0 CEAERO C[NH2+][C@H](c1cccc2ccccc21)[C@@H]1CN(C)CCO1 ZINC000091718115 180233672 /nfs/dbraw/zinc/23/36/72/180233672.db2.gz CBCOUXINSFPOIV-DLBZAZTESA-N 1 0 270.376 2.431 10 0 CEAERO CCC[NH2+][C@H](Cc1cccc(F)c1)[C@@H]1CN(C)CCO1 ZINC000091719211 180234307 /nfs/dbraw/zinc/23/43/07/180234307.db2.gz NXOVIKCMVYSMBY-CVEARBPZSA-N 1 0 280.387 2.067 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccc(F)cc1)[C@@H]1CN(C)CCO1 ZINC000091719358 180234374 /nfs/dbraw/zinc/23/43/74/180234374.db2.gz YINLFGNXYHABOM-HOTGVXAUSA-N 1 0 280.387 2.067 10 0 CEAERO CCC[NH2+][C@H](c1cccc(F)c1F)[C@H]1CN(C)CCO1 ZINC000091719461 180234382 /nfs/dbraw/zinc/23/43/82/180234382.db2.gz BXRLRDCZTCHWKL-UKRRQHHQSA-N 1 0 284.350 2.336 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccncc1Cl)CN(C)C ZINC000091719950 180237139 /nfs/dbraw/zinc/23/71/39/180237139.db2.gz QSRRGNWCFRSILL-LBPRGKRZSA-N 1 0 255.793 2.207 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1csc(Cl)c1 ZINC000624238219 350241071 /nfs/dbraw/zinc/24/10/71/350241071.db2.gz MNDZCLGACUIIGS-SFGNSQDASA-N 1 0 261.774 2.202 10 0 CEAERO O[C@@H]1COCC[C@@H]1[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000624238201 350241179 /nfs/dbraw/zinc/24/11/79/350241179.db2.gz MFPGBFCRZFGHMS-RIXNLZLZSA-N 1 0 281.783 2.325 10 0 CEAERO CC[NH2+][C@H](c1ccccc1OC)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721587 180238069 /nfs/dbraw/zinc/23/80/69/180238069.db2.gz RBGIWZZOPKUQDI-KBRIMQKVSA-N 1 0 290.407 2.209 10 0 CEAERO C[NH2+][C@H](C1CCCCC1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721153 180239069 /nfs/dbraw/zinc/23/90/69/180239069.db2.gz OQPUYDRUVXFLHJ-QLFBSQMISA-N 1 0 252.402 2.018 10 0 CEAERO CCc1ccc(C(=O)NCc2ccc(C[NH3+])cc2)o1 ZINC000091759272 180247419 /nfs/dbraw/zinc/24/74/19/180247419.db2.gz KHCONVAGJDIWHI-UHFFFAOYSA-N 1 0 258.321 2.231 10 0 CEAERO CCc1ccc([C@H]([NH3+])c2ccc3c(c2)CC(=O)N3)o1 ZINC000091760049 180247457 /nfs/dbraw/zinc/24/74/57/180247457.db2.gz NTSBUFSIZLCBOR-OAHLLOKOSA-N 1 0 256.305 2.385 10 0 CEAERO CCc1ccc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)o1 ZINC000091762452 180247812 /nfs/dbraw/zinc/24/78/12/180247812.db2.gz QIRZJBCVJMSYBZ-JSGCOSHPSA-N 1 0 276.380 2.446 10 0 CEAERO CCc1ccc(C(=O)NC[C@@H]2CCCC[C@@H]2C[NH3+])o1 ZINC000091777350 180251428 /nfs/dbraw/zinc/25/14/28/180251428.db2.gz BZZJHMXCYRUPRA-NEPJUHHUSA-N 1 0 264.369 2.337 10 0 CEAERO CCc1ccc(C(=O)NC2(C[NH3+])CCCCC2)o1 ZINC000091777313 180251551 /nfs/dbraw/zinc/25/15/51/180251551.db2.gz CNBOPZZVPIJELL-UHFFFAOYSA-N 1 0 250.342 2.233 10 0 CEAERO CC[N@H+]([C@H](C)COC)[C@@H](C)c1ccc(C(=O)OC)o1 ZINC000091781965 180253682 /nfs/dbraw/zinc/25/36/82/180253682.db2.gz LXWFVAHORWFFAL-MNOVXSKESA-N 1 0 269.341 2.484 10 0 CEAERO CCC[NH2+]CCCc1c(C)nc(CN(C)C)nc1C ZINC000091723654 180242051 /nfs/dbraw/zinc/24/20/51/180242051.db2.gz AJTSIKFSUVASEK-UHFFFAOYSA-N 1 0 264.417 2.087 10 0 CEAERO CCN(C(=O)c1snnc1C(C)C)C1CCC([NH3+])CC1 ZINC000091850472 180272323 /nfs/dbraw/zinc/27/23/23/180272323.db2.gz YKRATYJIMUZNQQ-UHFFFAOYSA-N 1 0 296.440 2.394 10 0 CEAERO CCCN(c1nccn(CCC)c1=O)C1CCC([NH3+])CC1 ZINC000091852779 180273203 /nfs/dbraw/zinc/27/32/03/180273203.db2.gz OEJRZMOQKRXVLS-UHFFFAOYSA-N 1 0 292.427 2.140 10 0 CEAERO Cc1cccc(NC(=O)C[N@@H+](C)C2CCC(=O)CC2)c1 ZINC000091853906 180273555 /nfs/dbraw/zinc/27/35/55/180273555.db2.gz LBLSLRYLLUUDIT-UHFFFAOYSA-N 1 0 274.364 2.377 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)Cc2ccccc2)CC1 ZINC000091854567 180274352 /nfs/dbraw/zinc/27/43/52/180274352.db2.gz IHJHJBAQSFMOGL-UHFFFAOYSA-N 1 0 260.381 2.218 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)c2ccc(OC)cc2O)CC1 ZINC000091854399 180274523 /nfs/dbraw/zinc/27/45/23/180274523.db2.gz VKQZDBGDEJPOME-UHFFFAOYSA-N 1 0 292.379 2.003 10 0 CEAERO CC[NH2+][C@@H](C)c1ccn(CC(=O)N[C@H](C)CC)c1 ZINC000091804915 180260109 /nfs/dbraw/zinc/26/01/09/180260109.db2.gz ITQTTYGNMRXPLN-NEPJUHHUSA-N 1 0 251.374 2.073 10 0 CEAERO CCC[NH2+][C@H](C)c1ccn(CC(=O)NC(C)(C)C)c1 ZINC000091806334 180260393 /nfs/dbraw/zinc/26/03/93/180260393.db2.gz GJYIKWYNUCQJBK-GFCCVEGCSA-N 1 0 265.401 2.463 10 0 CEAERO CC[NH2+][C@H](C)c1ccn(CC(=O)NC(C)(C)C)c1 ZINC000091805334 180260844 /nfs/dbraw/zinc/26/08/44/180260844.db2.gz ZIBOAHFWUSBFPL-LLVKDONJSA-N 1 0 251.374 2.073 10 0 CEAERO CCNC(=O)CCn1ccc([C@@H](CC)[NH2+]CC)c1 ZINC000091817294 180262886 /nfs/dbraw/zinc/26/28/86/180262886.db2.gz DWWWJRRSBNLKSQ-CYBMUJFWSA-N 1 0 251.374 2.075 10 0 CEAERO CC[C@@H]([NH2+]C)c1ccn(Cc2ncnn2CC(C)C)c1 ZINC000091816764 180262902 /nfs/dbraw/zinc/26/29/02/180262902.db2.gz VVQXRMBXBKLBDA-CQSZACIVSA-N 1 0 275.400 2.454 10 0 CEAERO CCC[C@H](C)NC(=O)Cn1ccc([C@@H]([NH3+])CC)c1 ZINC000091816464 180263440 /nfs/dbraw/zinc/26/34/40/180263440.db2.gz BRLLBNIYHMBURR-AAEUAGOBSA-N 1 0 251.374 2.203 10 0 CEAERO CCC[C@H]([NH3+])c1ccn(CC(=O)NCC(C)C)c1 ZINC000091821437 180263820 /nfs/dbraw/zinc/26/38/20/180263820.db2.gz AJSOONJKTNRMAP-ZDUSSCGKSA-N 1 0 251.374 2.060 10 0 CEAERO CCCNC(=O)Cn1ccc([C@@H](CCC)[NH2+]C)c1 ZINC000091821639 180263858 /nfs/dbraw/zinc/26/38/58/180263858.db2.gz AZPZTCCRJSJEFB-CYBMUJFWSA-N 1 0 251.374 2.075 10 0 CEAERO CCC[C@H]([NH2+]C)c1ccn(CC(=O)NCC(C)C)c1 ZINC000091822421 180263976 /nfs/dbraw/zinc/26/39/76/180263976.db2.gz PEIYQGLQSMJUNE-AWEZNQCLSA-N 1 0 265.401 2.321 10 0 CEAERO CC[NH2+][C@H](c1ccn(CCCS(C)(=O)=O)c1)C(C)C ZINC000091827477 180264903 /nfs/dbraw/zinc/26/49/03/180264903.db2.gz SKIVMSLWWPNJQQ-AWEZNQCLSA-N 1 0 286.441 2.229 10 0 CEAERO CCCn1cncc1[C@H](O)C1(C[NH3+])CCCCC1 ZINC000091926341 180287583 /nfs/dbraw/zinc/28/75/83/180287583.db2.gz JIRPVKRJSQJBMA-ZDUSSCGKSA-N 1 0 251.374 2.236 10 0 CEAERO CCCN(C(=O)N1CCCCCC1)[C@@H]1CC[NH2+]C1 ZINC000091971162 180294956 /nfs/dbraw/zinc/29/49/56/180294956.db2.gz IEQNQZREPPQMHI-CYBMUJFWSA-N 1 0 253.390 2.056 10 0 CEAERO COCC[NH2+]Cc1ncoc1-c1ccc2c(c1)COC2 ZINC000091959636 180292224 /nfs/dbraw/zinc/29/22/24/180292224.db2.gz BSCVPDUUYDYGAO-UHFFFAOYSA-N 1 0 274.320 2.108 10 0 CEAERO [NH3+]CCOc1ccccc1NC(=O)N1CCCCC1 ZINC000091969026 180294579 /nfs/dbraw/zinc/29/45/79/180294579.db2.gz YKEBSBQUWBIZFX-UHFFFAOYSA-N 1 0 263.341 2.042 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)C[C@H]2C=CCC2)CC1 ZINC000091872222 180278058 /nfs/dbraw/zinc/27/80/58/180278058.db2.gz BOQWOGWJZDMTCB-HSBZDZAISA-N 1 0 250.386 2.332 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC=CCC2)CC1 ZINC000091872269 180278243 /nfs/dbraw/zinc/27/82/43/180278243.db2.gz LIHLVXRTGBOEAS-IYXRBSQSSA-N 1 0 250.386 2.332 10 0 CEAERO [NH3+]C[C@@]1([C@@H](O)c2ccncc2)CCCc2ccccc21 ZINC000091909583 180284550 /nfs/dbraw/zinc/28/45/50/180284550.db2.gz KXMGMFFPOUTVON-IRXDYDNUSA-N 1 0 268.360 2.348 10 0 CEAERO CCCC1CCC(C[NH3+])([C@@H](O)[C@H]2CCOC2)CC1 ZINC000091912170 180285167 /nfs/dbraw/zinc/28/51/67/180285167.db2.gz YKEVUGXJEYPFTG-GQKFXUNGSA-N 1 0 255.402 2.319 10 0 CEAERO CC(C)C1CCC(C[NH3+])([C@H](O)[C@@H]2CCOC2)CC1 ZINC000091912159 180285239 /nfs/dbraw/zinc/28/52/39/180285239.db2.gz RZFNREFYXQNLJT-PIOWNMBXSA-N 1 0 255.402 2.175 10 0 CEAERO [NH3+]C[C@]1([C@H](O)c2cccs2)COc2ccccc2C1 ZINC000091910097 180285278 /nfs/dbraw/zinc/28/52/78/180285278.db2.gz ZGJPXSNVYGHKHV-CABCVRRESA-N 1 0 275.373 2.362 10 0 CEAERO CC[C@@](C)(C[NH3+])[C@H](O)c1ccc(OC)c(OC)c1OC ZINC000091910879 180285416 /nfs/dbraw/zinc/28/54/16/180285416.db2.gz SKFVYSSTJVCQMA-CABCVRRESA-N 1 0 283.368 2.121 10 0 CEAERO CC(C)(C)C[C@H](O)[C@@]1(C[NH3+])COc2ccccc2C1 ZINC000091918063 180285699 /nfs/dbraw/zinc/28/56/99/180285699.db2.gz WHWQOZBXRCRVHG-HOCLYGCPSA-N 1 0 263.381 2.364 10 0 CEAERO CCC1CCC(C[NH3+])([C@@]2(O)CCCOCC2)CC1 ZINC000091922980 180286502 /nfs/dbraw/zinc/28/65/02/180286502.db2.gz AFIYREVLBIDFCV-YMAMQOFZSA-N 1 0 255.402 2.463 10 0 CEAERO CC[C@@](O)(C1CC1)[C@]1(C[NH3+])CCOc2ccccc21 ZINC000091921748 180286728 /nfs/dbraw/zinc/28/67/28/180286728.db2.gz YWUMBRMXFXJUPH-JKSUJKDBSA-N 1 0 261.365 2.217 10 0 CEAERO [NH3+]CC1([C@H](O)c2ccc3ccccc3n2)CCOCC1 ZINC000091921911 180286815 /nfs/dbraw/zinc/28/68/15/180286815.db2.gz LVSXPVUIAGKALP-OAHLLOKOSA-N 1 0 272.348 2.024 10 0 CEAERO [NH3+]CC1([C@H](O)c2cccc3cccnc32)CCOCC1 ZINC000091918220 180286851 /nfs/dbraw/zinc/28/68/51/180286851.db2.gz WSOAVXGEOWQEQK-OAHLLOKOSA-N 1 0 272.348 2.024 10 0 CEAERO CC1CCC(C[NH3+])([C@@]2(O)CCOC(C)(C)C2)CC1 ZINC000091919001 180286892 /nfs/dbraw/zinc/28/68/92/180286892.db2.gz CBSDOOPFDSWUTG-PESDSKBTSA-N 1 0 255.402 2.462 10 0 CEAERO [NH3+]C[C@]1([C@]2(O)CCCOCC2)CCCc2ccccc21 ZINC000091922887 180286916 /nfs/dbraw/zinc/28/69/16/180286916.db2.gz RAVKRLBVKQUYCG-SJORKVTESA-N 1 0 275.392 2.151 10 0 CEAERO CCn1cncc1[C@@H](O)[C@]1(C[NH3+])CCc2ccccc2C1 ZINC000091926154 180287255 /nfs/dbraw/zinc/28/72/55/180287255.db2.gz XKWZOHRIMCNPQC-IAGOWNOFSA-N 1 0 285.391 2.070 10 0 CEAERO C[C@@H]1CCCN(C(=O)N[C@@H](C[NH3+])c2ccccc2)C1 ZINC000091972829 180296158 /nfs/dbraw/zinc/29/61/58/180296158.db2.gz DQGCNFSYFABYFK-OCCSQVGLSA-N 1 0 261.369 2.128 10 0 CEAERO CCN(C)C(=O)N1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000091973094 180296906 /nfs/dbraw/zinc/29/69/06/180296906.db2.gz VDUNYFDOSNPCFE-AWEZNQCLSA-N 1 0 267.417 2.302 10 0 CEAERO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)N1CCC[C@@H](C)C1 ZINC000091991015 180299932 /nfs/dbraw/zinc/29/99/32/180299932.db2.gz ZUWPBYWXFQICEM-UPJWGTAASA-N 1 0 253.390 2.040 10 0 CEAERO CC(C)CN(CCC(N)=[NH2+])C(=O)N1CCC(C)CC1 ZINC000091993261 180300624 /nfs/dbraw/zinc/30/06/24/180300624.db2.gz YYWOOXFIZLFWTK-UHFFFAOYSA-N 1 0 268.405 2.122 10 0 CEAERO CC[NH2+]Cc1nc(C)ccc1OCC(=O)N[C@H](C)C(C)C ZINC000091994952 180301202 /nfs/dbraw/zinc/30/12/02/180301202.db2.gz YCNFRMOGNRLXAC-CYBMUJFWSA-N 1 0 293.411 2.039 10 0 CEAERO CC[NH2+]Cc1nc(C)ccc1O[C@@H]1CCCC[C@H]1O ZINC000091994813 180301330 /nfs/dbraw/zinc/30/13/30/180301330.db2.gz VZRHPOBSBRXVSN-UKRRQHHQSA-N 1 0 264.369 2.182 10 0 CEAERO CC[NH2+]Cc1nc(C)ccc1O[C@@H](CC)C(=O)OCC ZINC000091994972 180301394 /nfs/dbraw/zinc/30/13/94/180301394.db2.gz VRBCCODJOKRZPM-ZDUSSCGKSA-N 1 0 280.368 2.220 10 0 CEAERO CCC[NH2+]Cc1nc(C)ccc1OCC(=O)NCC(C)C ZINC000091995011 180301422 /nfs/dbraw/zinc/30/14/22/180301422.db2.gz ATPOTCHSZJEBBZ-UHFFFAOYSA-N 1 0 293.411 2.041 10 0 CEAERO CCC[NH2+]Cc1nc(C)ccc1O[C@@H](C)C(=O)OCC ZINC000091995207 180302091 /nfs/dbraw/zinc/30/20/91/180302091.db2.gz XHYRHOOWAREIIJ-LBPRGKRZSA-N 1 0 280.368 2.220 10 0 CEAERO CCCN(Cc1nc(C)ccc1O)[C@@H]1CCC[NH2+]C1 ZINC000091996131 180302429 /nfs/dbraw/zinc/30/24/29/180302429.db2.gz MRLZFYFBEGITBJ-CYBMUJFWSA-N 1 0 263.385 2.060 10 0 CEAERO Cc1ccc(OCCc2ccncc2)c(C[C@H](C)[NH3+])n1 ZINC000092000207 180303507 /nfs/dbraw/zinc/30/35/07/180303507.db2.gz JUNDZEHSCXOHGP-LBPRGKRZSA-N 1 0 271.364 2.296 10 0 CEAERO Cc1ccc(OCc2ccccn2)c(C[C@@H](C)[NH3+])n1 ZINC000092000358 180303843 /nfs/dbraw/zinc/30/38/43/180303843.db2.gz JNGULNAXVQTWHG-LLVKDONJSA-N 1 0 257.337 2.254 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)N[C@@H](c1cccs1)C(C)C ZINC000092133526 180331196 /nfs/dbraw/zinc/33/11/96/180331196.db2.gz KXHSIBBSQPTOTI-ZYHUDNBSSA-N 1 0 254.399 2.417 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)Nc1cc(OC)c(OC)cc1Cl ZINC000092133399 180331373 /nfs/dbraw/zinc/33/13/73/180331373.db2.gz BMWZDWQFWGJTNA-QMMMGPOBSA-N 1 0 286.759 2.151 10 0 CEAERO CCn1nc(C[C@H]([NH3+])C(C)(C)OC)c2ccccc21 ZINC000092138749 180333509 /nfs/dbraw/zinc/33/35/09/180333509.db2.gz IQCRXVLBDYJQLJ-AWEZNQCLSA-N 1 0 261.369 2.351 10 0 CEAERO COC(C)(C)c1noc(CC2(C[NH3+])CCCCC2)n1 ZINC000092137648 180333888 /nfs/dbraw/zinc/33/38/88/180333888.db2.gz CGXJISIWERWXNG-UHFFFAOYSA-N 1 0 267.373 2.403 10 0 CEAERO CC[NH2+][C@@H](C)[C@H](CC)c1nc(C(C)(C)OC)no1 ZINC000092141468 180334455 /nfs/dbraw/zinc/33/44/55/180334455.db2.gz NMGHLZLOSIQPLN-UWVGGRQHSA-N 1 0 255.362 2.443 10 0 CEAERO C[C@@H](C(=O)Nc1cccc(N)c1)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000092080670 180318436 /nfs/dbraw/zinc/31/84/36/180318436.db2.gz ZXTPFUQJPYMFFK-TUAOUCFPSA-N 1 0 261.369 2.184 10 0 CEAERO C[C@H]1C[N@H+](CC(=O)c2ccc3c(c2)CCO3)C[C@H]1C ZINC000092086336 180320792 /nfs/dbraw/zinc/32/07/92/180320792.db2.gz JEGUCXVIVSWPKQ-TXEJJXNPSA-N 1 0 259.349 2.392 10 0 CEAERO C[C@@H]1C[NH+](CCOc2ccc(CC(N)=S)cc2)C[C@H]1C ZINC000092085483 180320873 /nfs/dbraw/zinc/32/08/73/180320873.db2.gz XIGHJBBCMXOXGO-CHWSQXEVSA-N 1 0 292.448 2.482 10 0 CEAERO CCCN[C@@](C[N@@H+]1C[C@H](C)[C@H](C)C1)(C(=O)OCC)C1CC1 ZINC000092087407 180321502 /nfs/dbraw/zinc/32/15/02/180321502.db2.gz QILSAZKPFZCBLG-JKIFEVAISA-N 1 0 296.455 2.286 10 0 CEAERO C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)C[C@H]1C ZINC000092090505 180322193 /nfs/dbraw/zinc/32/21/93/180322193.db2.gz HZFCZZZDJYATNH-MRLBHPIUSA-N 1 0 264.413 2.412 10 0 CEAERO CC[NH2+][C@H](CN1C(=O)[C@H](C)[C@H](C)C1=O)c1ccccc1C ZINC000092094116 180323120 /nfs/dbraw/zinc/32/31/20/180323120.db2.gz MIDKKYXEIOZKCZ-VNHYZAJKSA-N 1 0 288.391 2.287 10 0 CEAERO C[NH2+][C@@H](CN1C(=O)[C@H](C)[C@H](C)C1=O)c1ccc(C)cc1C ZINC000092094187 180323195 /nfs/dbraw/zinc/32/31/95/180323195.db2.gz HYWWKODOEGOTDY-GUTXKFCHSA-N 1 0 288.391 2.205 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](C2CC2)CN1C[C@@H]1COc2ccccc21 ZINC000092307373 180360805 /nfs/dbraw/zinc/36/08/05/180360805.db2.gz OZTXCZANJRPODE-XNRPHZJLSA-N 1 0 272.392 2.235 10 0 CEAERO COc1ccc(Cl)cc1NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092201400 180342734 /nfs/dbraw/zinc/34/27/34/180342734.db2.gz SKLXCNRAJGKKFR-PSASIEDQSA-N 1 0 266.728 2.191 10 0 CEAERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(F)cc1F ZINC000105872299 186080203 /nfs/dbraw/zinc/08/02/03/186080203.db2.gz FBVRZOHBTPSBRC-ONGXEEELSA-N 1 0 278.306 2.222 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)N2CCC(Cc3ccccc3)CC2)C1 ZINC000092201884 180342972 /nfs/dbraw/zinc/34/29/72/180342972.db2.gz UNLUHXOEFWJLSO-IRXDYDNUSA-N 1 0 284.403 2.371 10 0 CEAERO CCc1ccc([C@H](C)NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)cc1 ZINC000092202714 180343291 /nfs/dbraw/zinc/34/32/91/180343291.db2.gz CWQYXYYOINOUSD-NILFDRSVSA-N 1 0 258.365 2.330 10 0 CEAERO CN(C)c1ccc(Cl)cc1NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092203496 180343336 /nfs/dbraw/zinc/34/33/36/180343336.db2.gz ANISKEMGMMJGAB-MWLCHTKSSA-N 1 0 279.771 2.248 10 0 CEAERO C[C@H](NC(=O)[C@H]1C=C[C@@H]([NH3+])C1)c1ccc(F)c(F)c1 ZINC000092202612 180343402 /nfs/dbraw/zinc/34/34/02/180343402.db2.gz KKLCQFHMMKFQIW-INTQDDNPSA-N 1 0 266.291 2.045 10 0 CEAERO COc1cccc([C@@H]2CCCN2C(=O)[C@@H]2C=C[C@@H]([NH3+])C2)c1 ZINC000092204723 180343728 /nfs/dbraw/zinc/34/37/28/180343728.db2.gz YASJKXBXUXLAIU-FMKPAKJESA-N 1 0 286.375 2.262 10 0 CEAERO CC(C)c1csc(NC(=O)[C@H]2C=C[C@H]([NH3+])C2)n1 ZINC000092206935 180344087 /nfs/dbraw/zinc/34/40/87/180344087.db2.gz ZHXPNVWATWMPPZ-IUCAKERBSA-N 1 0 251.355 2.108 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)NCc2cccc3ccccc32)C1 ZINC000092207296 180344248 /nfs/dbraw/zinc/34/42/48/180344248.db2.gz RPTGSRINVGIPNA-UKRRQHHQSA-N 1 0 266.344 2.359 10 0 CEAERO CCCOC(=O)c1ccc(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)cc1 ZINC000092206631 180344255 /nfs/dbraw/zinc/34/42/55/180344255.db2.gz TYEKUXWJAQIWBH-QWHCGFSZSA-N 1 0 288.347 2.095 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)N(Cc2ccsc2)C2CC2)C1 ZINC000092206234 180344310 /nfs/dbraw/zinc/34/43/10/180344310.db2.gz VGURZIMLIOZCKP-NWDGAFQWSA-N 1 0 262.378 2.143 10 0 CEAERO CCC1CCC(N(C)C(=O)[C@@H]2C=C[C@H]([NH3+])C2)CC1 ZINC000092205807 180344336 /nfs/dbraw/zinc/34/43/36/180344336.db2.gz LOJAPAYLEWQDPI-DKNRTOFZSA-N 1 0 250.386 2.317 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)NCC23CC4CC(CC(C4)C2)C3)C1 ZINC000092206639 180344389 /nfs/dbraw/zinc/34/43/89/180344389.db2.gz UEAKNBOPSXHDOQ-ULRUDBTPSA-N 1 0 274.408 2.222 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)N(CC2CCCCC2)C2CC2)C1 ZINC000092205331 180344396 /nfs/dbraw/zinc/34/43/96/180344396.db2.gz CTLWGEAUCFOHLX-UONOGXRCSA-N 1 0 262.397 2.461 10 0 CEAERO CCCC1CCC(NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)CC1 ZINC000092206958 180344404 /nfs/dbraw/zinc/34/44/04/180344404.db2.gz XBYDYJFRBYINKJ-CEUNDQEZSA-N 1 0 250.386 2.365 10 0 CEAERO CSc1ccc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000092232438 180349090 /nfs/dbraw/zinc/34/90/90/180349090.db2.gz YRPZWUQMIRHLDG-AAEUAGOBSA-N 1 0 264.394 2.266 10 0 CEAERO [NH3+]CCCc1nnc([C@@H]2Cc3ccccc3S2)o1 ZINC000092234230 180349258 /nfs/dbraw/zinc/34/92/58/180349258.db2.gz RYUSEFNNRIXUCC-NSHDSACASA-N 1 0 261.350 2.350 10 0 CEAERO C[NH2+]CCc1noc([C@@H]2CSc3ccccc32)n1 ZINC000092240210 180351559 /nfs/dbraw/zinc/35/15/59/180351559.db2.gz UHBKTWQONAVCIM-SNVBAGLBSA-N 1 0 261.350 2.069 10 0 CEAERO C[C@@H](CCO)C[NH2+]C[C@@H]1Cc2ccccc2S1 ZINC000092260374 180354239 /nfs/dbraw/zinc/35/42/39/180354239.db2.gz QQOJPLWKOUFCEJ-AAEUAGOBSA-N 1 0 251.395 2.312 10 0 CEAERO OC[C@]1(C[C@H]2Cc3ccccc3S2)CCC[NH2+]C1 ZINC000092273908 180356168 /nfs/dbraw/zinc/35/61/68/180356168.db2.gz TXYGJULPFBJHJX-HIFRSBDPSA-N 1 0 263.406 2.456 10 0 CEAERO CC[NH2+]Cc1cn(C[C@@H]2Cc3ccccc3S2)nn1 ZINC000092274212 180356485 /nfs/dbraw/zinc/35/64/85/180356485.db2.gz AIZOGZCPGDMHTJ-ZDUSSCGKSA-N 1 0 274.393 2.105 10 0 CEAERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccccc1F ZINC000105872177 186081383 /nfs/dbraw/zinc/08/13/83/186081383.db2.gz GWHWXQLXIVKCIG-QWRGUYRKSA-N 1 0 260.316 2.083 10 0 CEAERO C[C@H](CC(N)=S)[N@H+](C)C[C@@H]1COc2ccccc21 ZINC000092301792 180359365 /nfs/dbraw/zinc/35/93/65/180359365.db2.gz XJWIIWFHARUGML-GHMZBOCLSA-N 1 0 264.394 2.159 10 0 CEAERO COc1ccc(C)cc1C[NH2+]CCn1cc(C)cn1 ZINC000105881333 186083636 /nfs/dbraw/zinc/08/36/36/186083636.db2.gz LCCPOHNBXDKPAX-UHFFFAOYSA-N 1 0 259.353 2.298 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](c2nc(Cc3ccc(F)cc3)no2)C1 ZINC000092181359 180338308 /nfs/dbraw/zinc/33/83/08/180338308.db2.gz SVVGJYKNJBRHGE-PWSUYJOCSA-N 1 0 259.284 2.170 10 0 CEAERO C[C@@H](O)C[N@@H+]1CCN(Cc2cccc3cccnc32)C[C@H]1C ZINC000105823279 186074968 /nfs/dbraw/zinc/07/49/68/186074968.db2.gz MUNOEDGZSHNXGU-HUUCEWRRSA-N 1 0 299.418 2.122 10 0 CEAERO CCN(C[C@H]1COc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000092304478 180360639 /nfs/dbraw/zinc/36/06/39/180360639.db2.gz VZDNBVGWDLESLQ-UONOGXRCSA-N 1 0 260.381 2.237 10 0 CEAERO COCC[N@@H+]1CCN(CCCOc2ccccc2)C[C@H]1C ZINC000105832525 186075599 /nfs/dbraw/zinc/07/55/99/186075599.db2.gz COYFMUJJOCUZEX-MRXNPFEDSA-N 1 0 292.423 2.108 10 0 CEAERO C[C@H](c1ccc(F)cc1)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105924230 186090275 /nfs/dbraw/zinc/09/02/75/186090275.db2.gz VRNJQLJQIBMKNY-IUODEOHRSA-N 1 0 266.360 2.149 10 0 CEAERO CC(C)Oc1cccc(CN2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000105924705 186090683 /nfs/dbraw/zinc/09/06/83/186090683.db2.gz YDAFJIXXFLMBNJ-KRWDZBQOSA-N 1 0 292.423 2.236 10 0 CEAERO COc1cccc([C@H](C[NH3+])NCc2ccccc2)c1 ZINC000106024189 186098485 /nfs/dbraw/zinc/09/84/85/186098485.db2.gz XYOWXZDDQYHJAD-INIZCTEOSA-N 1 0 256.349 2.485 10 0 CEAERO CC[C@@H](C)N1C(=O)C[C@H]([NH2+]C2(C)CCCCC2)C1=O ZINC000106050872 186100557 /nfs/dbraw/zinc/10/05/57/186100557.db2.gz IUVRPSHQPMXFOG-NEPJUHHUSA-N 1 0 266.385 2.225 10 0 CEAERO CCC[NH2+]C1CCN(Cc2c(C)noc2C)CC1 ZINC000092339771 180365358 /nfs/dbraw/zinc/36/53/58/180365358.db2.gz DUTHZKUHLBAHOF-UHFFFAOYSA-N 1 0 251.374 2.255 10 0 CEAERO Cc1noc(C)c1CN1C[C@@H](C)[NH2+]C[C@@H]1C(C)C ZINC000092342639 180366292 /nfs/dbraw/zinc/36/62/92/180366292.db2.gz MYUOUEXJBQOJBT-QMTHXVAHSA-N 1 0 251.374 2.110 10 0 CEAERO O=C1C[C@H]([NH2+]C[C@@H]2CC=CCC2)C(=O)N1C1CCCC1 ZINC000106257899 186106223 /nfs/dbraw/zinc/10/62/23/186106223.db2.gz YQQSYFYWICHIQG-OCCSQVGLSA-N 1 0 276.380 2.002 10 0 CEAERO C[NH2+]Cc1nccn1Cc1ccnc2ccccc12 ZINC000092349544 180367720 /nfs/dbraw/zinc/36/77/20/180367720.db2.gz PKMMLPGRAZRPNY-UHFFFAOYSA-N 1 0 252.321 2.199 10 0 CEAERO C[N@@H+](Cc1ccnc2ccccc12)CC1CC(O)C1 ZINC000092364584 180367984 /nfs/dbraw/zinc/36/79/84/180367984.db2.gz CEDWIMRARSQHDE-UHFFFAOYSA-N 1 0 256.349 2.438 10 0 CEAERO COC(=O)CCC[N@H+](C)Cc1cccc(Cl)n1 ZINC000092370255 180369749 /nfs/dbraw/zinc/36/97/49/180369749.db2.gz XHRMHLLKGRQQLS-UHFFFAOYSA-N 1 0 256.733 2.120 10 0 CEAERO CCC[NH+]1CCN(Cc2cccc(NCC)n2)CC1 ZINC000092367914 180370020 /nfs/dbraw/zinc/37/00/20/180370020.db2.gz HKTIKDPRSQSBQJ-UHFFFAOYSA-N 1 0 262.401 2.041 10 0 CEAERO Cc1ccc(C)c([C@H](C)[NH2+]C[C@H]2CN(C)CCO2)c1 ZINC000106388091 186112815 /nfs/dbraw/zinc/11/28/15/186112815.db2.gz RHGUNGFEQKEULV-GJZGRUSLSA-N 1 0 262.397 2.285 10 0 CEAERO Cn1ccnc1[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)C1CC1 ZINC000251650283 539798141 /nfs/dbraw/zinc/79/81/41/539798141.db2.gz JBOFXTJDPLIBJR-MGPQQGTHSA-N 1 0 263.385 2.012 10 0 CEAERO COc1ccc2c(c1)[C@H](O)[C@H]([NH+]1CCC(OC)CC1)CC2 ZINC000092387766 180374873 /nfs/dbraw/zinc/37/48/73/180374873.db2.gz FXJFKLDZRXRNNN-SJORKVTESA-N 1 0 291.391 2.154 10 0 CEAERO COC(=O)C[C@]1([C@@H](C)[NH3+])CCCc2ccc(OC)cc21 ZINC000092390627 180375465 /nfs/dbraw/zinc/37/54/65/180375465.db2.gz BCXWPTUMOKHJRR-BZNIZROVSA-N 1 0 277.364 2.180 10 0 CEAERO COc1cccc(C[NH2+][C@H](CO)C(C)C)c1OC(F)F ZINC000092392070 180376312 /nfs/dbraw/zinc/37/63/12/180376312.db2.gz SJLMOIZKZFZIKG-LLVKDONJSA-N 1 0 289.322 2.403 10 0 CEAERO CC(C)[C@H](CO)[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000092400297 180377220 /nfs/dbraw/zinc/37/72/20/180377220.db2.gz VZECCDPMQCNVKA-QWHCGFSZSA-N 1 0 291.313 2.345 10 0 CEAERO CC(C)[C@@H](CO)[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000092400279 180377576 /nfs/dbraw/zinc/37/75/76/180377576.db2.gz VWSCHXNMIZXHKM-IAGOWNOFSA-N 1 0 273.376 2.480 10 0 CEAERO CCOC(=O)[C@@H]1CCCCN1Cc1cc(NC)cc[nH+]1 ZINC000092418250 180381359 /nfs/dbraw/zinc/38/13/59/180381359.db2.gz ABTGUUFADWURRP-AWEZNQCLSA-N 1 0 277.368 2.041 10 0 CEAERO [NH3+]CC[C@@H]1CCCCN1Cc1cc(Cl)ccn1 ZINC000092417237 180381491 /nfs/dbraw/zinc/38/14/91/180381491.db2.gz LNZFWYDFECHYMV-ZDUSSCGKSA-N 1 0 253.777 2.438 10 0 CEAERO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2cc(Cl)ccn2)C1 ZINC000092417255 180381534 /nfs/dbraw/zinc/38/15/34/180381534.db2.gz ZAWDPYYPCKWSHD-GHMZBOCLSA-N 1 0 253.777 2.294 10 0 CEAERO Nc1cc[nH+]c(Cn2c(=O)ccc3ccccc32)c1 ZINC000092419855 180381873 /nfs/dbraw/zinc/38/18/73/180381873.db2.gz BHOKNWMYIDWKQK-UHFFFAOYSA-N 1 0 251.289 2.027 10 0 CEAERO CCC(CC)[N@H+](CCOC)Cc1cc(NN)ccn1 ZINC000092421129 180381984 /nfs/dbraw/zinc/38/19/84/180381984.db2.gz MWRYYKLHRFOIFN-UHFFFAOYSA-N 1 0 266.389 2.004 10 0 CEAERO COCCc1ccc(OCc2cc(N)cc[nH+]2)cc1 ZINC000092420447 180382140 /nfs/dbraw/zinc/38/21/40/180382140.db2.gz FHISLTIJEUUFKN-UHFFFAOYSA-N 1 0 258.321 2.432 10 0 CEAERO CCCC[C@@H](C)[NH2+][C@H]1CC(=O)N([C@@H](C)CC)C1=O ZINC000106785138 186135210 /nfs/dbraw/zinc/13/52/10/186135210.db2.gz FKFPNHRDNAEJKG-WOPDTQHZSA-N 1 0 254.374 2.081 10 0 CEAERO CC(C)N1C(=O)C[C@H]([NH2+][C@H](C)C2CCCCC2)C1=O ZINC000107290433 186167454 /nfs/dbraw/zinc/16/74/54/186167454.db2.gz BMMIUKWLVMKBNP-YPMHNXCESA-N 1 0 266.385 2.081 10 0 CEAERO Cc1cccc(CN2C[C@@H](C3CC3)[NH2+]C[C@@H]2C2CC2)n1 ZINC000092433740 180384339 /nfs/dbraw/zinc/38/43/39/180384339.db2.gz KJVXKHGZZZLFCD-DLBZAZTESA-N 1 0 271.408 2.352 10 0 CEAERO CC(C)[N@@H+]1CCC[C@@H]([NH+](CC(=O)[O-])C(C)(C)C)CC1 ZINC000092450659 180387549 /nfs/dbraw/zinc/38/75/49/180387549.db2.gz OBNSYRMPTLFVOI-CYBMUJFWSA-N 1 0 270.417 2.434 10 0 CEAERO CC(C)(C)[NH2+]CC(=O)N(Cc1cccc(O)c1)C1CC1 ZINC000092460788 180389715 /nfs/dbraw/zinc/38/97/15/180389715.db2.gz MIYAQBMHYSUWIM-UHFFFAOYSA-N 1 0 276.380 2.271 10 0 CEAERO C[C@@H]1C[C@@H]([NH3+])Cn2cc(-c3ccc4c(c3)OCO4)nc21 ZINC000107827784 186194165 /nfs/dbraw/zinc/19/41/65/186194165.db2.gz GMUYDFTUVYCKDC-MWLCHTKSSA-N 1 0 271.320 2.113 10 0 CEAERO COc1ccc(-c2cn3c(n2)[C@H](C)C[C@@H]([NH3+])C3)c(OC)c1 ZINC000107827915 186194267 /nfs/dbraw/zinc/19/42/67/186194267.db2.gz AOIHRCYHBNWWSN-GHMZBOCLSA-N 1 0 287.363 2.402 10 0 CEAERO CC[C@H](C)C[NH2+][C@@H]1CC(=O)N(C2CCCCCC2)C1=O ZINC000107862980 186195118 /nfs/dbraw/zinc/19/51/18/186195118.db2.gz VJLJIXXQNAJOQJ-GXTWGEPZSA-N 1 0 280.412 2.472 10 0 CEAERO CCn1nc(C)c2nc(N)n([C@H](C)C[NH+]3CCCCC3)c21 ZINC000092591612 180409288 /nfs/dbraw/zinc/40/92/88/180409288.db2.gz WADHZBLIDDLDLJ-LLVKDONJSA-N 1 0 290.415 2.190 10 0 CEAERO C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000109081781 186242680 /nfs/dbraw/zinc/24/26/80/186242680.db2.gz JQWDKRBOLVVEGB-QWHCGFSZSA-N 1 0 294.345 2.279 10 0 CEAERO C[NH+](C)CCCNC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109151220 186244249 /nfs/dbraw/zinc/24/42/49/186244249.db2.gz VDAAOFNEXWGZMG-NEPJUHHUSA-N 1 0 282.334 2.136 10 0 CEAERO CC[NH2+][C@H]1CCC[C@H]1c1nc(-c2cccnc2)no1 ZINC000109495220 186256797 /nfs/dbraw/zinc/25/67/97/186256797.db2.gz KOKZNIWBPJGTOD-NEPJUHHUSA-N 1 0 258.325 2.377 10 0 CEAERO C[NH2+][C@H]1CCCC[C@H]1c1nc(-c2ccncc2)no1 ZINC000109498455 186256806 /nfs/dbraw/zinc/25/68/06/186256806.db2.gz YIWMBLCGRKAWKZ-NEPJUHHUSA-N 1 0 258.325 2.377 10 0 CEAERO CC[NH2+][C@H]1CCC[C@H]1c1nc(-c2ccncc2)no1 ZINC000109498345 186257048 /nfs/dbraw/zinc/25/70/48/186257048.db2.gz KQLJRTPDAMFGBD-NEPJUHHUSA-N 1 0 258.325 2.377 10 0 CEAERO C[NH2+][C@@H](Cc1nc(-c2cnccn2)no1)c1ccccc1 ZINC000109507086 186257667 /nfs/dbraw/zinc/25/76/67/186257667.db2.gz VXUNZHQHMPFMHW-LBPRGKRZSA-N 1 0 281.319 2.030 10 0 CEAERO CCC[NH2+][C@H](Cc1nc(-c2ncccn2)no1)C(C)(C)C ZINC000109505444 186257693 /nfs/dbraw/zinc/25/76/93/186257693.db2.gz HMQMCHSQGOUIBM-LLVKDONJSA-N 1 0 289.383 2.483 10 0 CEAERO CC[C@@H](c1nc(Cc2ccncc2)no1)[C@H](C)[NH2+]C ZINC000109509076 186257925 /nfs/dbraw/zinc/25/79/25/186257925.db2.gz QNOKJRZTHMLEIY-CMPLNLGQSA-N 1 0 260.341 2.157 10 0 CEAERO CC[C@H](c1nc(COc2ccccc2)no1)[C@H](C)[NH3+] ZINC000109509280 186258679 /nfs/dbraw/zinc/25/86/79/186258679.db2.gz TUGIBYXFFVMZIM-JQWIXIFHSA-N 1 0 261.325 2.489 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1c1nc(Cc2ccccc2F)no1 ZINC000109516512 186259030 /nfs/dbraw/zinc/25/90/30/186259030.db2.gz KQRBJMFEBIGJFO-PWSUYJOCSA-N 1 0 261.300 2.394 10 0 CEAERO CC(C)[C@@H](c1nc(CC(F)(F)F)no1)[C@@H](C)[NH3+] ZINC000109517206 186259059 /nfs/dbraw/zinc/25/90/59/186259059.db2.gz IFVINDLOKXHACN-HTRCEHHLSA-N 1 0 251.252 2.261 10 0 CEAERO COc1ccc(CNC2=[NH+]C[C@H](C)S2)c(OC)c1 ZINC000109554666 186262605 /nfs/dbraw/zinc/26/26/05/186262605.db2.gz OYHXCUPUBSYEQC-VIFPVBQESA-N 1 0 266.366 2.285 10 0 CEAERO C[NH2+][C@H]1CCN(Cc2ccc(OC)cc2OC)[C@@H](C)C1 ZINC000109554389 186262883 /nfs/dbraw/zinc/26/28/83/186262883.db2.gz PRAPIVDDJUXFOL-JSGCOSHPSA-N 1 0 278.396 2.276 10 0 CEAERO C[NH2+][C@H](C)c1ccc(NC(=O)N[C@@H]2CCCOC2)cc1 ZINC000109552715 186263113 /nfs/dbraw/zinc/26/31/13/186263113.db2.gz GEXUAZVRDJEXJO-BXUZGUMPSA-N 1 0 277.368 2.268 10 0 CEAERO C[C@H](O)c1ccccc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000109584887 186263867 /nfs/dbraw/zinc/26/38/67/186263867.db2.gz GGABENLQSDSTOJ-UONOGXRCSA-N 1 0 260.381 2.414 10 0 CEAERO C[NH+]1CCC(Oc2cc(CO)nc3ccccc32)CC1 ZINC000109595138 186265247 /nfs/dbraw/zinc/26/52/47/186265247.db2.gz OQTVRVWLAILWNF-UHFFFAOYSA-N 1 0 272.348 2.200 10 0 CEAERO CCOC(=O)CN([C@H](CC[NH3+])c1ccccc1)C1CC1 ZINC000109604470 186267716 /nfs/dbraw/zinc/26/77/16/186267716.db2.gz LDNHQGHYNYQNGQ-OAHLLOKOSA-N 1 0 276.380 2.104 10 0 CEAERO Cc1nnc(S[C@H](CC[NH3+])c2ccccc2)n1C ZINC000109687124 186268953 /nfs/dbraw/zinc/26/89/53/186268953.db2.gz KYOMSLVFHOTNDX-GFCCVEGCSA-N 1 0 262.382 2.306 10 0 CEAERO Cc1cc2c(n1CCc1nncn1C)CC(C)(C)C[C@@H]2[NH3+] ZINC000109425468 186251633 /nfs/dbraw/zinc/25/16/33/186251633.db2.gz BNFCEKOLHCDCEB-ZDUSSCGKSA-N 1 0 287.411 2.140 10 0 CEAERO C[C@@H](CC(=O)N1CCN(C(C)(C)C[NH3+])CC1)CC(C)(C)C ZINC000109450171 186252686 /nfs/dbraw/zinc/25/26/86/186252686.db2.gz LIFFFSCCTRGHMZ-AWEZNQCLSA-N 1 0 297.487 2.330 10 0 CEAERO CC[C@@H](C(N)=S)[NH+]1CCN(C2CCCCC2)CC1 ZINC000109469669 186254004 /nfs/dbraw/zinc/25/40/04/186254004.db2.gz GPDPZTXJOJZHGZ-ZDUSSCGKSA-N 1 0 269.458 2.001 10 0 CEAERO Cc1ccccc1CN1CC[NH+](C(C)(C)C(N)=S)CC1 ZINC000109471029 186254748 /nfs/dbraw/zinc/25/47/48/186254748.db2.gz XNGCVZDRPYCEKZ-UHFFFAOYSA-N 1 0 291.464 2.177 10 0 CEAERO CC(C)(C)CCN1CC[NH+](C(C)(C)C(N)=S)CC1 ZINC000109470734 186254873 /nfs/dbraw/zinc/25/48/73/186254873.db2.gz LBEALWPGOIDTFH-UHFFFAOYSA-N 1 0 271.474 2.105 10 0 CEAERO CC[C@@H](c1noc(-c2ccc(C)cc2)n1)N1CC[NH2+]CC1 ZINC000109474594 186255245 /nfs/dbraw/zinc/25/52/45/186255245.db2.gz GKOIJSUCBOEALA-AWEZNQCLSA-N 1 0 286.379 2.401 10 0 CEAERO CCc1nc(N2CC[C@H]([NH+]3CCCCC3)C2)sc1CO ZINC000110276274 186289187 /nfs/dbraw/zinc/28/91/87/186289187.db2.gz QXUPECANUCOJEH-LBPRGKRZSA-N 1 0 295.452 2.262 10 0 CEAERO COCC[N@H+](CCC(=O)OC)C1CCC(C)CC1 ZINC000110433800 186295877 /nfs/dbraw/zinc/29/58/77/186295877.db2.gz JLEZDRAZYFZXHA-UHFFFAOYSA-N 1 0 257.374 2.077 10 0 CEAERO CCC[NH2+][C@@H](C)Cc1nc(-c2ncccc2C)no1 ZINC000110445008 186296726 /nfs/dbraw/zinc/29/67/26/186296726.db2.gz FFYJDLLUONMVAW-NSHDSACASA-N 1 0 260.341 2.371 10 0 CEAERO C[C@H]1CCC[C@H](C[NH3+])N1CC(=O)NC1CCCCCC1 ZINC000110480909 186298919 /nfs/dbraw/zinc/29/89/19/186298919.db2.gz RYNSOTOYTJMVLT-DZGCQCFKSA-N 1 0 281.444 2.027 10 0 CEAERO CC[C@@H]([NH3+])[C@H](O[C@@H]1CCOC1)c1cccc(OC)c1 ZINC000110525780 186300693 /nfs/dbraw/zinc/30/06/93/186300693.db2.gz JADRIHMGKFKGDD-RBSFLKMASA-N 1 0 265.353 2.279 10 0 CEAERO CC(C)[NH2+]Cc1cnc(O[C@@H]2CCOC2)c(Cl)c1 ZINC000110532684 186301672 /nfs/dbraw/zinc/30/16/72/186301672.db2.gz XYDMOXJIIGROKR-LLVKDONJSA-N 1 0 270.760 2.401 10 0 CEAERO C[C@@](O)(c1ccc(F)c(F)c1F)[C@H]1CCC[NH2+]C1 ZINC000110552285 186302896 /nfs/dbraw/zinc/30/28/96/186302896.db2.gz FTUVLDWGGNXOPJ-SDBXPKJASA-N 1 0 259.271 2.311 10 0 CEAERO COc1ccc(C)cc1C[C@](C)(O)[C@H]1CCC[NH2+]C1 ZINC000110552008 186303225 /nfs/dbraw/zinc/30/32/25/186303225.db2.gz VRNNXEBTPJAZEE-HOCLYGCPSA-N 1 0 263.381 2.297 10 0 CEAERO CC[C@@H]1CCCN(C(=O)Cc2ccc(C[NH3+])cc2)C1 ZINC000110612270 186305432 /nfs/dbraw/zinc/30/54/32/186305432.db2.gz NGZCKRSDHAQBEI-CYBMUJFWSA-N 1 0 260.381 2.336 10 0 CEAERO CC[N@@H+]1CC[C@H](CNc2cc(OC)c(F)cc2N)C1 ZINC000110626522 186306785 /nfs/dbraw/zinc/30/67/85/186306785.db2.gz RIABDURMSCPXSV-SNVBAGLBSA-N 1 0 267.348 2.170 10 0 CEAERO c1ccc2c(c1)cnnc2NCC[C@@H]1CCC[NH2+]C1 ZINC000110793562 186325432 /nfs/dbraw/zinc/32/54/32/186325432.db2.gz MCVFYOXQTDBHMG-LBPRGKRZSA-N 1 0 256.353 2.431 10 0 CEAERO CCC1(C(=O)N2CCC[C@@H](C)CC2)CC[NH2+]CC1 ZINC000110814610 186326626 /nfs/dbraw/zinc/32/66/26/186326626.db2.gz RWSFQFJKVSRGOZ-CYBMUJFWSA-N 1 0 252.402 2.415 10 0 CEAERO CCOC(=O)[C@H](CC[N@H+](C)CC1CCCC1)NC1CC1 ZINC000110841037 186328213 /nfs/dbraw/zinc/32/82/13/186328213.db2.gz KPTYQEPDCJYHCN-HNNXBMFYSA-N 1 0 282.428 2.182 10 0 CEAERO CCC[NH2+][C@@H](C)Cc1nc(-c2cccc(C)n2)no1 ZINC000110918433 186332005 /nfs/dbraw/zinc/33/20/05/186332005.db2.gz SCMXZUBCXPRRMS-NSHDSACASA-N 1 0 260.341 2.371 10 0 CEAERO COc1cc(Cl)ccc1C(=O)N(C)[C@H]1CCC[NH2+]C1 ZINC000110927038 186333219 /nfs/dbraw/zinc/33/32/19/186333219.db2.gz NSKWFFHFZBQJHW-NSHDSACASA-N 1 0 282.771 2.173 10 0 CEAERO Cc1cccc(-c2nc(CN(C)[C@H]3CCC[NH2+]C3)no2)c1 ZINC000110929236 186333232 /nfs/dbraw/zinc/33/32/32/186333232.db2.gz PQSYECQAJZPJQA-AWEZNQCLSA-N 1 0 286.379 2.229 10 0 CEAERO CN(C(=O)c1cccc2cccnc21)[C@@H]1CCC[NH2+]C1 ZINC000110926981 186333275 /nfs/dbraw/zinc/33/32/75/186333275.db2.gz JNBYFMGOLFQKEN-CYBMUJFWSA-N 1 0 269.348 2.059 10 0 CEAERO CCN1CCC[C@H]([NH2+]Cc2[nH]nnc2-c2ccccc2)C1 ZINC000110925051 186333926 /nfs/dbraw/zinc/33/39/26/186333926.db2.gz ZMDHAYLYBGGTKF-AWEZNQCLSA-N 1 0 285.395 2.046 10 0 CEAERO CN(Cc1cnn(-c2ccccc2)c1)[C@@H]1CCC[NH2+]C1 ZINC000110926073 186333959 /nfs/dbraw/zinc/33/39/59/186333959.db2.gz JCJLHPFIINZLSJ-MRXNPFEDSA-N 1 0 270.380 2.056 10 0 CEAERO CCN(C(=O)c1nccc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000110939510 186334238 /nfs/dbraw/zinc/33/42/38/186334238.db2.gz RYKCJTHJZBPUFS-CQSZACIVSA-N 1 0 283.375 2.449 10 0 CEAERO CCCN(c1ccc(Cl)cc1C(N)=O)[C@H]1CCC[NH2+]C1 ZINC000110948580 186335763 /nfs/dbraw/zinc/33/57/63/186335763.db2.gz YVWFSLPWJIJIDG-LBPRGKRZSA-N 1 0 295.814 2.407 10 0 CEAERO CCCN(Cc1ncc(Cl)n1C)[C@H]1CCC[NH2+]C1 ZINC000110946134 186335782 /nfs/dbraw/zinc/33/57/82/186335782.db2.gz AWVPVJZLNYBGQN-NSHDSACASA-N 1 0 270.808 2.038 10 0 CEAERO CCc1cccc(NC(=O)CN(CC)[C@@H]2CCC[NH2+]C2)c1 ZINC000110944703 186335871 /nfs/dbraw/zinc/33/58/71/186335871.db2.gz AANAORGIZWEDAU-MRXNPFEDSA-N 1 0 289.423 2.261 10 0 CEAERO CCN(c1ccccc1S(=O)(=O)CC)[C@@H]1CCC[NH2+]C1 ZINC000110947669 186335993 /nfs/dbraw/zinc/33/59/93/186335993.db2.gz IUYLNOGMJDNPHP-CYBMUJFWSA-N 1 0 296.436 2.059 10 0 CEAERO CCCN(Cc1ccoc1C(=O)OC)[C@H]1CCC[NH2+]C1 ZINC000110945848 186336049 /nfs/dbraw/zinc/33/60/49/186336049.db2.gz BOJBUHIZXOFGED-ZDUSSCGKSA-N 1 0 280.368 2.030 10 0 CEAERO C[NH2+][C@H](C)c1ccc(C)cc1OCC(=O)NCC(C)C ZINC000110959967 186336507 /nfs/dbraw/zinc/33/65/07/186336507.db2.gz FBWXCKVGACOBFG-CYBMUJFWSA-N 1 0 278.396 2.426 10 0 CEAERO Cc1ccc([C@@H](C)[NH3+])c(O[C@@H]2CCCCNC2=O)c1 ZINC000110958482 186336631 /nfs/dbraw/zinc/33/66/31/186336631.db2.gz QVJPDCNSXZYJES-DGCLKSJQSA-N 1 0 262.353 2.062 10 0 CEAERO Cc1ccc(C[C@@H](C[NH3+])C(=O)N2CCCCC2)cc1F ZINC000110974670 186337899 /nfs/dbraw/zinc/33/78/99/186337899.db2.gz ILJQWAMDPPKTMX-AWEZNQCLSA-N 1 0 278.371 2.264 10 0 CEAERO Cc1ccc(C[C@H](C[NH3+])C(=O)NC(C)(C)C)cc1F ZINC000110974643 186338168 /nfs/dbraw/zinc/33/81/68/186338168.db2.gz LZLCHNMNWGUPOF-GFCCVEGCSA-N 1 0 266.360 2.166 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Oc1ccccc1CO)c1ccccn1 ZINC000110992852 186340024 /nfs/dbraw/zinc/34/00/24/186340024.db2.gz AQEVNGUYJVTUQF-CJNGLKHVSA-N 1 0 272.348 2.431 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Oc1ccccc1CO)c1cccnc1 ZINC000110993144 186340906 /nfs/dbraw/zinc/34/09/06/186340906.db2.gz ZNGFMJLLVPKDMR-ZBFHGGJFSA-N 1 0 272.348 2.431 10 0 CEAERO COc1ccc([C@@H](O)[C@@H](C)[N@@H+]2CCN(C)C(C)(C)C2)cc1 ZINC000110736515 186318743 /nfs/dbraw/zinc/31/87/43/186318743.db2.gz UYCYOCGRGPJVDP-CJNGLKHVSA-N 1 0 292.423 2.143 10 0 CEAERO CC[C@@H]1CN(CCNc2cccc(F)c2)CC[N@@H+]1C ZINC000110757375 186320078 /nfs/dbraw/zinc/32/00/78/186320078.db2.gz DPPIRRGGSSLUAE-OAHLLOKOSA-N 1 0 265.376 2.264 10 0 CEAERO C[C@@H](O)c1cccc(NC(=O)N2CC[N@H+](C)C(C)(C)C2)c1 ZINC000110770212 186322840 /nfs/dbraw/zinc/32/28/40/186322840.db2.gz QJBZIZVNQPCZFQ-GFCCVEGCSA-N 1 0 291.395 2.298 10 0 CEAERO C[C@H]1CN(Cc2ccc3c(c2)CCCN3)CC[N@@H+]1C ZINC000110762439 186323406 /nfs/dbraw/zinc/32/34/06/186323406.db2.gz CMXXFWOOBLPKSE-ZDUSSCGKSA-N 1 0 259.397 2.181 10 0 CEAERO CCOC(=O)c1cc(C)sc1NC(=O)[C@@H]([NH3+])C(C)C ZINC000110777605 186323473 /nfs/dbraw/zinc/32/34/73/186323473.db2.gz TYDYCHGBBQDPAQ-JTQLQIEISA-N 1 0 284.381 2.155 10 0 CEAERO O=C(NCC[C@H]1CCC[NH2+]C1)c1cc(Cl)ccc1O ZINC000110791688 186323978 /nfs/dbraw/zinc/32/39/78/186323978.db2.gz YDPDOYNFHZZDOQ-SNVBAGLBSA-N 1 0 282.771 2.165 10 0 CEAERO CCN(C[C@H](C)C[NH3+])c1ncnc2sc(C)cc21 ZINC000110779062 186324702 /nfs/dbraw/zinc/32/47/02/186324702.db2.gz ZZYSTLIGAHJTIL-SECBINFHSA-N 1 0 264.398 2.421 10 0 CEAERO Cc1ccc([C@H](SCCS(C)(=O)=O)[C@H](C)[NH3+])cc1 ZINC000111004242 186341745 /nfs/dbraw/zinc/34/17/45/186341745.db2.gz PMWLFCZQKDLEGL-WCQYABFASA-N 1 0 287.450 2.161 10 0 CEAERO CC1(C)COCCN1[C@H](C[NH3+])c1cccc(F)c1F ZINC000111039506 186347255 /nfs/dbraw/zinc/34/72/55/186347255.db2.gz UWASZEKQOOIDLV-GFCCVEGCSA-N 1 0 270.323 2.075 10 0 CEAERO Cc1c[nH+]ccc1N[C@H]1CC(=O)N(c2ccccc2)C1=O ZINC000111042874 186347540 /nfs/dbraw/zinc/34/75/40/186347540.db2.gz WLBRGPZTJHKLNW-AWEZNQCLSA-N 1 0 281.315 2.134 10 0 CEAERO C[NH+](C)CCC[N@H+](C)CCCOc1ccccc1C(=O)[O-] ZINC000111152270 186360711 /nfs/dbraw/zinc/36/07/11/186360711.db2.gz PFSRVAQPUWSHMM-UHFFFAOYSA-N 1 0 294.395 2.037 10 0 CEAERO Cc1ccc([C@H](N)C[N@@H+](C)C[C@@H]2CCCOC2)cc1 ZINC000111160405 186361927 /nfs/dbraw/zinc/36/19/27/186361927.db2.gz ROBFKATWGDWTSY-GOEBONIOSA-N 1 0 262.397 2.353 10 0 CEAERO C[N@H+](C[C@H]1CCCOC1)[C@@H](CN)C1CCCCC1 ZINC000111157572 186362360 /nfs/dbraw/zinc/36/23/60/186362360.db2.gz MOYYHNTZNOLADU-HIFRSBDPSA-N 1 0 254.418 2.252 10 0 CEAERO C[C@H]([NH3+])[C@H](c1ccsc1)N(C)CC1CCOCC1 ZINC000111156472 186362836 /nfs/dbraw/zinc/36/28/36/186362836.db2.gz OSJBLKZSPIDPPF-SMDDNHRTSA-N 1 0 268.426 2.495 10 0 CEAERO CN(C[C@@H]1CCCOC1)c1ccc(C(N)=[NH2+])c(Cl)c1 ZINC000111163975 186363300 /nfs/dbraw/zinc/36/33/00/186363300.db2.gz PNENPNKYEGALAN-JTQLQIEISA-N 1 0 281.787 2.487 10 0 CEAERO C[C@H]([NH3+])c1ccccc1NS(=O)(=O)C(C)(C)C ZINC000111072191 186351231 /nfs/dbraw/zinc/35/12/31/186351231.db2.gz HUPMERGHJYBKAR-VIFPVBQESA-N 1 0 256.371 2.247 10 0 CEAERO CCCOCCO[C@@H]1COc2ccccc2[C@H]1[NH2+]C ZINC000111108053 186353459 /nfs/dbraw/zinc/35/34/59/186353459.db2.gz IXXHZKYPYHSUHW-HUUCEWRRSA-N 1 0 265.353 2.151 10 0 CEAERO CCOCCN(CC)c1c(C[NH2+]C(C)(C)C)c(C)nn1C ZINC000111120689 186354517 /nfs/dbraw/zinc/35/45/17/186354517.db2.gz FGZNKEFOIHSPFN-UHFFFAOYSA-N 1 0 296.459 2.479 10 0 CEAERO CCOCCN(CC)[C@@H](C[NH3+])c1cccc(F)c1F ZINC000111117488 186354930 /nfs/dbraw/zinc/35/49/30/186354930.db2.gz KMFDTOVQWDOYGR-ZDUSSCGKSA-N 1 0 272.339 2.323 10 0 CEAERO CCC[C@]1(C(=O)N(CC)CCOCC)CCC[NH2+]C1 ZINC000111124915 186355190 /nfs/dbraw/zinc/35/51/90/186355190.db2.gz OMZQVAFPGVHDFT-HNNXBMFYSA-N 1 0 270.417 2.041 10 0 CEAERO CCOCCN(CC)[C@@]1(C[NH3+])CCc2ccccc2C1 ZINC000111117640 186355486 /nfs/dbraw/zinc/35/54/86/186355486.db2.gz JIRIXRVSECDTAM-KRWDZBQOSA-N 1 0 276.424 2.231 10 0 CEAERO CCOCCN(CC)c1c(C[NH2+]C(C)C)c(C)nn1C ZINC000111120793 186355688 /nfs/dbraw/zinc/35/56/88/186355688.db2.gz NIQVZSIADGIQBV-UHFFFAOYSA-N 1 0 282.432 2.089 10 0 CEAERO CN(CCC[NH+](C)C)c1c(F)cc(C=O)cc1F ZINC000111138850 186356947 /nfs/dbraw/zinc/35/69/47/186356947.db2.gz ZYAXSNCCWHRONW-UHFFFAOYSA-N 1 0 256.296 2.165 10 0 CEAERO C[C@H]1C[C@H](C(=O)N(C)CCC[NH+](C)C)c2ccccc2N1 ZINC000111139361 186357372 /nfs/dbraw/zinc/35/73/72/186357372.db2.gz QBFNTTIZUKRZCN-ZFWWWQNUSA-N 1 0 289.423 2.384 10 0 CEAERO CC(C)c1ccc([C@@H](O)CN(C)CC[NH+](C)C)cc1 ZINC000111143154 186359118 /nfs/dbraw/zinc/35/91/18/186359118.db2.gz MEJGNCJZSOJXGQ-INIZCTEOSA-N 1 0 264.413 2.337 10 0 CEAERO CC[C@H](N)[C@@H]([N@H+](C)CC1CCOCC1)C(C)(C)C ZINC000111155429 186360207 /nfs/dbraw/zinc/36/02/07/186360207.db2.gz OLSBOLUZOPHLGV-UONOGXRCSA-N 1 0 256.434 2.497 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2C[C@@H]1N(C)CC1CCOCC1 ZINC000111162116 186363709 /nfs/dbraw/zinc/36/37/09/186363709.db2.gz SLSZWFJUMPXYEI-DLBZAZTESA-N 1 0 274.408 2.230 10 0 CEAERO COc1ccc(C)cc1[C@H](O)C[NH2+]CC1CCOCC1 ZINC000111163349 186364108 /nfs/dbraw/zinc/36/41/08/186364108.db2.gz XPNIVMRYUOMSSP-OAHLLOKOSA-N 1 0 279.380 2.053 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)NCC1CCOCC1 ZINC000111165926 186364306 /nfs/dbraw/zinc/36/43/06/186364306.db2.gz OZCDONUMAQIZGQ-UHFFFAOYSA-N 1 0 270.417 2.075 10 0 CEAERO CN(Cc1ccco1)C[C@@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111325149 186398089 /nfs/dbraw/zinc/39/80/89/186398089.db2.gz OIQAYIDPAMNSAU-INIZCTEOSA-N 1 0 278.396 2.260 10 0 CEAERO CC[N@H+](C[C@@]1(CO)CCCOC1)C1CCCCC1 ZINC000111330987 186399433 /nfs/dbraw/zinc/39/94/33/186399433.db2.gz VNSVWGBPZPATGQ-OAHLLOKOSA-N 1 0 255.402 2.430 10 0 CEAERO CC(C)C[NH2+]C[C@]1(CN2CCOCC2(C)C)CCCOC1 ZINC000111327709 186399738 /nfs/dbraw/zinc/39/97/38/186399738.db2.gz BXZZRJXXOPBZGT-KRWDZBQOSA-N 1 0 298.471 2.140 10 0 CEAERO Cc1cc2ncc(C[NH2+]C[C@H]3Cc4ccccc43)cn2n1 ZINC000111235335 186372979 /nfs/dbraw/zinc/37/29/79/186372979.db2.gz DGTUXPXPVSSYEG-OAHLLOKOSA-N 1 0 278.359 2.467 10 0 CEAERO O=C(OCc1ccccc1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111241165 186375180 /nfs/dbraw/zinc/37/51/80/186375180.db2.gz QOLXOWWWSYGIEC-GFCCVEGCSA-N 1 0 273.254 2.272 10 0 CEAERO O=C(Nc1cccc2c[nH]nc21)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111244503 186375651 /nfs/dbraw/zinc/37/56/51/186375651.db2.gz XSWSSIWFWLKXJG-LBPRGKRZSA-N 1 0 298.268 2.043 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1c1nc(-c2ccc(F)c(F)c2)no1 ZINC000111256459 186379466 /nfs/dbraw/zinc/37/94/66/186379466.db2.gz YTJOZLRKFAAWNA-APPZFPTMSA-N 1 0 265.263 2.338 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000111263537 186380106 /nfs/dbraw/zinc/38/01/06/186380106.db2.gz KOFOGUJZJNIZQF-KWQFWETISA-N 1 0 288.269 2.379 10 0 CEAERO COc1cc(NC(=O)[C@H]2C[NH2+]C[C@@H]2C)c(OC)cc1Cl ZINC000111262924 186380411 /nfs/dbraw/zinc/38/04/11/186380411.db2.gz BQHQBDUXXNECHR-IUCAKERBSA-N 1 0 298.770 2.151 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000111262877 186380954 /nfs/dbraw/zinc/38/09/54/186380954.db2.gz XUUMKJRYXZXOTB-KCJUWKMLSA-N 1 0 272.270 2.499 10 0 CEAERO CSc1cccc(NC(=O)[C@H]2C[NH2+]C[C@H]2C)c1 ZINC000111262746 186381021 /nfs/dbraw/zinc/38/10/21/186381021.db2.gz XIUGEOPTHQBGHG-SKDRFNHKSA-N 1 0 250.367 2.203 10 0 CEAERO CC[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1C)c1ccccc1OC ZINC000111265602 186381927 /nfs/dbraw/zinc/38/19/27/186381927.db2.gz BFCAHKMBQMCLKZ-UBHSHLNASA-N 1 0 276.380 2.118 10 0 CEAERO Cc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@@H]2C)c2cccnc12 ZINC000111266928 186382643 /nfs/dbraw/zinc/38/26/43/186382643.db2.gz RPLUZVYTBOATDN-WCQYABFASA-N 1 0 269.348 2.337 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCCCC[C@@H]1c1cccn1C ZINC000111268287 186383621 /nfs/dbraw/zinc/38/36/21/186383621.db2.gz APYZALRACUWMMT-IIAWOOMASA-N 1 0 289.423 2.324 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)NCc1ccccc1C(F)(F)F ZINC000111272590 186384659 /nfs/dbraw/zinc/38/46/59/186384659.db2.gz NMQAFAMCBAFJPY-GXSJLCMTSA-N 1 0 286.297 2.177 10 0 CEAERO CC[C@H](C)c1nc(C)c(C[NH2+]CCOC)c(C)n1 ZINC000111275448 186386071 /nfs/dbraw/zinc/38/60/71/186386071.db2.gz JWMGYDAJTOMOTL-JTQLQIEISA-N 1 0 251.374 2.343 10 0 CEAERO C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(C[NH3+])cn1 ZINC000111281163 186389119 /nfs/dbraw/zinc/38/91/19/186389119.db2.gz ZFTZVLXDDYFKQO-LLVKDONJSA-N 1 0 267.332 2.132 10 0 CEAERO C[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc(C[NH3+])cn1 ZINC000111282446 186390301 /nfs/dbraw/zinc/39/03/01/186390301.db2.gz KYFALUSONVANAG-LLVKDONJSA-N 1 0 287.338 2.040 10 0 CEAERO CC(C)c1c(Cl)ncnc1N1CCC[N@H+](C)CC1 ZINC000111295568 186391600 /nfs/dbraw/zinc/39/16/00/186391600.db2.gz ZIXVPHRHCGZSTP-UHFFFAOYSA-N 1 0 268.792 2.395 10 0 CEAERO [NH3+]Cc1ccc(CNC(=O)c2ccc3c(c2)COC3)cc1 ZINC000111304892 186393759 /nfs/dbraw/zinc/39/37/59/186393759.db2.gz ZEGDGCZWTKMJAM-UHFFFAOYSA-N 1 0 282.343 2.106 10 0 CEAERO CCCCCN(C)c1nc2ccccn2c1CC[NH3+] ZINC000111479328 186421531 /nfs/dbraw/zinc/42/15/31/186421531.db2.gz RIHUXLUKCGURNG-UHFFFAOYSA-N 1 0 260.385 2.462 10 0 CEAERO CCOC1CCN(c2ccc(CC[NH3+])cc2F)CC1 ZINC000111481848 186422591 /nfs/dbraw/zinc/42/25/91/186422591.db2.gz ZUFPWIAPGURZKB-UHFFFAOYSA-N 1 0 266.360 2.332 10 0 CEAERO CC[C@@H]([NH3+])Cc1c(C)nn(C)c1-n1cnc2ccccc21 ZINC000111512806 186426361 /nfs/dbraw/zinc/42/63/61/186426361.db2.gz NENPZAGJWRKRSN-GFCCVEGCSA-N 1 0 283.379 2.347 10 0 CEAERO CCC(CC)[C@H](C)[NH2+][C@@H]1CC(=O)N(C2CCCC2)C1=O ZINC000111667043 186439255 /nfs/dbraw/zinc/43/92/55/186439255.db2.gz MITFPHDEMPRLEL-SMDDNHRTSA-N 1 0 280.412 2.471 10 0 CEAERO Cc1nc(CN2CCC[C@H](C[NH2+]C3CC3)C2)cs1 ZINC000111699369 186447043 /nfs/dbraw/zinc/44/70/43/186447043.db2.gz WCOYLWYFAXVVLR-GFCCVEGCSA-N 1 0 265.426 2.416 10 0 CEAERO Cc1noc(CN2CCCC[C@@H]2C[NH2+]C(C)(C)C)n1 ZINC000111703912 186447236 /nfs/dbraw/zinc/44/72/36/186447236.db2.gz PZABISYMBUSUOF-GFCCVEGCSA-N 1 0 266.389 2.121 10 0 CEAERO C[NH2+][C@H](C)[C@H]1CCCCN1CC(=O)NC1CCCCCC1 ZINC000111710460 186448882 /nfs/dbraw/zinc/44/88/82/186448882.db2.gz IELJEYNDXCMPAB-GDBMZVCRSA-N 1 0 295.471 2.288 10 0 CEAERO Fc1ccc(-c2noc(CCOC3CC[NH2+]CC3)n2)cc1 ZINC000111794324 186458431 /nfs/dbraw/zinc/45/84/31/186458431.db2.gz KXLRZGDHDFDWEB-UHFFFAOYSA-N 1 0 291.326 2.187 10 0 CEAERO CN(C)c1ccc(C(=O)N(CC[NH3+])C2CCCCC2)cc1 ZINC000111362969 186406017 /nfs/dbraw/zinc/40/60/17/186406017.db2.gz PYFZNCZYDLZVTQ-UHFFFAOYSA-N 1 0 289.423 2.486 10 0 CEAERO Cc1cccc(S(=O)(=O)N[C@]2(C[NH3+])CCC[C@H](C)C2)c1 ZINC000111373838 186409202 /nfs/dbraw/zinc/40/92/02/186409202.db2.gz JXHHBPMSKQWMRJ-DZGCQCFKSA-N 1 0 296.436 2.181 10 0 CEAERO CCC[NH2+]CC1CCN(c2cc(OCC)nc(C)n2)CC1 ZINC000090788120 535158046 /nfs/dbraw/zinc/15/80/46/535158046.db2.gz GZJWAXGEMQWGDC-UHFFFAOYSA-N 1 0 292.427 2.400 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc2ccccc2n1C ZINC000113269606 186567232 /nfs/dbraw/zinc/56/72/32/186567232.db2.gz CNWOYFGJLSYZTJ-ZIAGYGMSSA-N 1 0 284.407 2.242 10 0 CEAERO CCS(=O)(=O)c1ccccc1N1CCC[C@@H](CC[NH3+])C1 ZINC000070073984 363027111 /nfs/dbraw/zinc/02/71/11/363027111.db2.gz XTXTUWUHTHUYFC-ZDUSSCGKSA-N 1 0 296.436 2.045 10 0 CEAERO C[C@@H]([NH3+])[C@@H]1CCCN(c2ncnc3sccc32)C1 ZINC000070175152 363048938 /nfs/dbraw/zinc/04/89/38/363048938.db2.gz AAGMWYLBNBNIKK-NXEZZACHSA-N 1 0 262.382 2.255 10 0 CEAERO C[N@H+](C[C@H](O)COCc1ccccc1)[C@@H]1CCSC1 ZINC000070380053 363077352 /nfs/dbraw/zinc/07/73/52/363077352.db2.gz HFDUUYIWHVFCQU-CABCVRRESA-N 1 0 281.421 2.001 10 0 CEAERO CCN1CCC[C@@H]([NH2+]Cc2ccc(Br)cn2)C1 ZINC000070396503 363078392 /nfs/dbraw/zinc/07/83/92/363078392.db2.gz OWGPXXJATOGLJT-CYBMUJFWSA-N 1 0 298.228 2.418 10 0 CEAERO CO[C@H]1CN(C(=O)c2cc(C)cc(Cl)c2)[C@](C)(C[NH3+])C1 ZINC000630375364 351716646 /nfs/dbraw/zinc/71/66/46/351716646.db2.gz RNVUOUUJXOWXOI-HIFRSBDPSA-N 1 0 296.798 2.227 10 0 CEAERO COc1cccc(-c2cc(N3CCC[C@@H]([NH3+])C3)n[nH]2)c1 ZINC000070460123 363087267 /nfs/dbraw/zinc/08/72/67/363087267.db2.gz ZIIDJLZIZIQMOB-GFCCVEGCSA-N 1 0 272.352 2.013 10 0 CEAERO CCCc1cc(N[C@@H]2CCC[NH2+]C2)nc(-c2cnccn2)n1 ZINC000070456541 363084865 /nfs/dbraw/zinc/08/48/65/363084865.db2.gz FBTURYCQSFVKMM-CYBMUJFWSA-N 1 0 298.394 2.050 10 0 CEAERO CC(C)c1nc(-c2ccncc2)cc(N2CC[C@@H]([NH3+])C2)n1 ZINC000070455972 363085262 /nfs/dbraw/zinc/08/52/62/363085262.db2.gz QLKIJFKNRQBJQW-CYBMUJFWSA-N 1 0 283.379 2.199 10 0 CEAERO CCc1cc(N[C@@H]2CCC[NH2+]C2)nc(-c2ccncc2)n1 ZINC000070456497 363085387 /nfs/dbraw/zinc/08/53/87/363085387.db2.gz FJAZQGGZBDVIKZ-CQSZACIVSA-N 1 0 283.379 2.265 10 0 CEAERO CO[C@@H]1CN(Cc2ccc(SC)cc2)[C@@](C)(C[NH3+])C1 ZINC000630361123 351712250 /nfs/dbraw/zinc/71/22/50/351712250.db2.gz LUJIYQPEPFHJNW-DZGCQCFKSA-N 1 0 280.437 2.347 10 0 CEAERO CO[C@@H]1CN(Cc2ccsc2Cl)[C@@](C)(C[NH3+])C1 ZINC000630367193 351714299 /nfs/dbraw/zinc/71/42/99/351714299.db2.gz MTGXUHDJOFIXRL-CMPLNLGQSA-N 1 0 274.817 2.340 10 0 CEAERO Cc1nc2ccccc2nc1N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000630534039 351775198 /nfs/dbraw/zinc/77/51/98/351775198.db2.gz SUNVIZJAFIRURP-ZYHUDNBSSA-N 1 0 256.353 2.491 10 0 CEAERO CC(C)c1cc(N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)ncn1 ZINC000630540154 351777865 /nfs/dbraw/zinc/77/78/65/351777865.db2.gz UOMBWGYQKWFBMJ-GASCZTMLSA-N 1 0 260.385 2.036 10 0 CEAERO C[C@]12C[NH2+]C[C@@]1(C)CN(c1ccc(OC(F)F)cn1)C2 ZINC000630540361 351777936 /nfs/dbraw/zinc/77/79/36/351777936.db2.gz ZYQGTGYXNOQGSS-OKILXGFUSA-N 1 0 283.322 2.119 10 0 CEAERO CCS(=O)(=O)c1ccc(N2CCCCC[C@@H]([NH3+])C2)cc1 ZINC000630549557 351780570 /nfs/dbraw/zinc/78/05/70/351780570.db2.gz KXMUXWSSLFFUGF-CYBMUJFWSA-N 1 0 296.436 2.188 10 0 CEAERO CCS(=O)(=O)c1ccc(N[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000630557239 351784993 /nfs/dbraw/zinc/78/49/93/351784993.db2.gz NLSSGIZLDSQHPE-JOCQHMNTSA-N 1 0 296.436 2.410 10 0 CEAERO C[C@H]1CN(c2cccc(C(F)(F)F)n2)C[C@H]1C[NH3+] ZINC000630573513 351789499 /nfs/dbraw/zinc/78/94/99/351789499.db2.gz UHBJLWPOUYLGBQ-DTWKUNHWSA-N 1 0 259.275 2.131 10 0 CEAERO [NH3+]C[C@@H]1CN(c2ncccc2F)CC[C@H]1C(F)(F)F ZINC000630527381 351773714 /nfs/dbraw/zinc/77/37/14/351773714.db2.gz JAAJJTZCCFTFGI-RKDXNWHRSA-N 1 0 277.265 2.184 10 0 CEAERO CC[C@@](C)(O)C[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000123051870 187068494 /nfs/dbraw/zinc/06/84/94/187068494.db2.gz ALZWPNUMTXSJNO-CQSZACIVSA-N 1 0 251.326 2.008 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H](C)C1CCOCC1 ZINC000123072484 187069704 /nfs/dbraw/zinc/06/97/04/187069704.db2.gz DGBDHYHDQBSONU-UKRRQHHQSA-N 1 0 284.444 2.142 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2cccc(OCCF)c2)C1 ZINC000123187315 187076109 /nfs/dbraw/zinc/07/61/09/187076109.db2.gz JJVBXYYPEZDZII-ZDUSSCGKSA-N 1 0 295.358 2.203 10 0 CEAERO COc1ccc(C)cc1[C@H](C)[NH2+]C[C@@H](C)N1CCOCC1 ZINC000123354025 187086799 /nfs/dbraw/zinc/08/67/99/187086799.db2.gz ZRZJYZIVACLZEZ-CABCVRRESA-N 1 0 292.423 2.375 10 0 CEAERO CN(C)c1ccccc1NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000070575234 363097396 /nfs/dbraw/zinc/09/73/96/363097396.db2.gz GJLCYAPSURNJMU-RYUDHWBXSA-N 1 0 261.369 2.209 10 0 CEAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2ccncc2Br)C1 ZINC000631050166 351938583 /nfs/dbraw/zinc/93/85/83/351938583.db2.gz QRIPMAHIHXPXME-GHMZBOCLSA-N 1 0 285.185 2.237 10 0 CEAERO CCc1nc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)sc1C ZINC000070577807 363099652 /nfs/dbraw/zinc/09/96/52/363099652.db2.gz MXCQUKGGZPMRMV-ZJUUUORDSA-N 1 0 267.398 2.470 10 0 CEAERO CCOc1cc(CN(C)C[C@H]2CC[N@H+](C)C2)ccc1O ZINC000211474384 539827070 /nfs/dbraw/zinc/82/70/70/539827070.db2.gz VLNWWACFCVPASP-AWEZNQCLSA-N 1 0 278.396 2.174 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@@H]2CC[NH2+][C@@H]2C)c(C)c1 ZINC000092953338 539830956 /nfs/dbraw/zinc/83/09/56/539830956.db2.gz MINWXHANOQHEBZ-VNHYZAJKSA-N 1 0 260.381 2.479 10 0 CEAERO CC(C)c1nccc(CN2CCC[N@@H+]3CCC[C@H]3C2)n1 ZINC000071775541 363113751 /nfs/dbraw/zinc/11/37/51/363113751.db2.gz VGNCAFOTOUUDAQ-HNNXBMFYSA-N 1 0 274.412 2.270 10 0 CEAERO Cc1ccccc1[C@H](C)[NH2+][C@H](C)C[C@@H]1COCCN1 ZINC000133432767 187683832 /nfs/dbraw/zinc/68/38/32/187683832.db2.gz MRURHTOQLYXYFQ-QLFBSQMISA-N 1 0 262.397 2.413 10 0 CEAERO O=C(NC[C@H]1CC[NH2+]C1)Nc1cccc(Cl)c1 ZINC000133709595 187702380 /nfs/dbraw/zinc/70/23/80/187702380.db2.gz PCFRBJFSZPYROA-VIFPVBQESA-N 1 0 253.733 2.071 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)CCOc1cccc(Cl)c1 ZINC000237988860 539883161 /nfs/dbraw/zinc/88/31/61/539883161.db2.gz JESDUJDQRQICJU-FZMZJTMJSA-N 1 0 296.798 2.353 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)C[NH2+]C2CC2)cc1F ZINC000094956398 539888326 /nfs/dbraw/zinc/88/83/26/539888326.db2.gz JFCSBIWOHNPWAZ-JTQLQIEISA-N 1 0 250.317 2.063 10 0 CEAERO Nc1cccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000250126460 539964035 /nfs/dbraw/zinc/96/40/35/539964035.db2.gz XGOQUGVAGLGGII-HOCLYGCPSA-N 1 0 260.381 2.396 10 0 CEAERO C[C@H]1CN(c2nc3ccc(N)cc3s2)C[C@H]1[NH+](C)C ZINC000251530265 539976489 /nfs/dbraw/zinc/97/64/89/539976489.db2.gz AHRPPIKEHIZQIO-JOYOIKCWSA-N 1 0 276.409 2.265 10 0 CEAERO CC[C@@H]1CN(c2ncnc3ccsc32)CC[C@H]1[NH3+] ZINC000251707440 539989090 /nfs/dbraw/zinc/98/90/90/539989090.db2.gz JIFGJUYWUXEQTQ-NXEZZACHSA-N 1 0 262.382 2.255 10 0 CEAERO CCC[C@@H](C(=O)NCCc1nc(C)c(C)s1)[NH+](C)C ZINC000155876257 188232552 /nfs/dbraw/zinc/23/25/52/188232552.db2.gz DBWQXXJHZXSASO-LBPRGKRZSA-N 1 0 283.441 2.149 10 0 CEAERO CCc1nnc([C@H]2C[N@H+](C[C@H]3CC=CCC3)CCO2)[nH]1 ZINC000156704148 188277697 /nfs/dbraw/zinc/27/76/97/188277697.db2.gz MJZOELYIGNAQLI-QWHCGFSZSA-N 1 0 276.384 2.097 10 0 CEAERO CCNC(=O)C[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000156730587 188277822 /nfs/dbraw/zinc/27/78/22/188277822.db2.gz QHBWFSOAQZFLFR-OAHLLOKOSA-N 1 0 260.381 2.426 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2cccc(F)c2)C1 ZINC000157253431 188305782 /nfs/dbraw/zinc/30/57/82/188305782.db2.gz TUVMBIDMYUHNBL-DOMZBBRYSA-N 1 0 293.386 2.354 10 0 CEAERO CC[C@@H]1CCC[C@H](NC(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000251879098 539993419 /nfs/dbraw/zinc/99/34/19/539993419.db2.gz VBJPHVJOKOTGKB-RFGFWPKPSA-N 1 0 252.402 2.446 10 0 CEAERO C[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]2C[NH3+])C[C@@H](C)C1 ZINC000252100450 539998431 /nfs/dbraw/zinc/99/84/31/539998431.db2.gz IIDKXYQOKZOXRK-BJJPWKGXSA-N 1 0 252.402 2.302 10 0 CEAERO C[C@@H]([NH3+])C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000158157696 188360328 /nfs/dbraw/zinc/36/03/28/188360328.db2.gz CQMOPLYVJKVDCH-GMSGAONNSA-N 1 0 278.249 2.283 10 0 CEAERO C[C@H](Nc1nnc(C(F)(F)F)s1)[C@@H]1CCC[NH2+]C1 ZINC000160362865 188468496 /nfs/dbraw/zinc/46/84/96/188468496.db2.gz MJKCNCHAERLXNT-NKWVEPMBSA-N 1 0 280.319 2.357 10 0 CEAERO O=C1NCCCC[C@H]1[NH2+][C@H]1COc2ccccc2C1 ZINC000328667271 201999559 /nfs/dbraw/zinc/99/95/59/201999559.db2.gz KRBAPEVSDZLSSV-CHWSQXEVSA-N 1 0 260.337 2.089 10 0 CEAERO C[C@@H]1COC[C@H](C)N1C[C@H](O)COc1ccccc1Cl ZINC000133186346 366202858 /nfs/dbraw/zinc/20/28/58/366202858.db2.gz AWGOMJKCCPSMDU-XQQFMLRXSA-N 1 0 299.798 2.189 10 0 CEAERO [NH3+][C@H]1CCCN(C(=O)CCOc2cccc(Cl)c2)C1 ZINC000158424596 540056016 /nfs/dbraw/zinc/05/60/16/540056016.db2.gz NBNYPUJTSKUNRH-LBPRGKRZSA-N 1 0 282.771 2.059 10 0 CEAERO CCC(CC)[NH2+]C1CCC2(CS(=O)(=O)C2)CC1 ZINC000675056459 540075081 /nfs/dbraw/zinc/07/50/81/540075081.db2.gz KLRDPFICIOQVLG-UHFFFAOYSA-N 1 0 259.415 2.122 10 0 CEAERO CO[C@@]1(CO)CCC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000401897812 540100877 /nfs/dbraw/zinc/10/08/77/540100877.db2.gz ZEWCLXQLVPGJHE-STQMWFEESA-N 1 0 277.355 2.285 10 0 CEAERO CC[C@@H]1COC(C)(C)C[N@@H+]1C[C@H]1CCC[C@@H](O)C1 ZINC000403965884 540118697 /nfs/dbraw/zinc/11/86/97/540118697.db2.gz OKAUKGXEXYUGJS-BFHYXJOUSA-N 1 0 255.402 2.427 10 0 CEAERO Cc1csc(C2=C[C@H]([NH3+])CN(C(=O)OC(C)(C)C)C2)n1 ZINC000675079413 540119544 /nfs/dbraw/zinc/11/95/44/540119544.db2.gz YPCLEVBBFMLQKH-NSHDSACASA-N 1 0 295.408 2.413 10 0 CEAERO CC(C)(Cl)c1cn(C[C@@H]2CCCC[NH2+]C2)nn1 ZINC000675072277 540113264 /nfs/dbraw/zinc/11/32/64/540113264.db2.gz BTCQPWHZJUIRQE-SNVBAGLBSA-N 1 0 256.781 2.142 10 0 CEAERO CN1C[C@@H]([NH2+]Cc2ccc(Br)o2)C(C)(C)C1 ZINC000675076393 540117655 /nfs/dbraw/zinc/11/76/55/540117655.db2.gz VXTNRRIMUPRTLZ-SNVBAGLBSA-N 1 0 287.201 2.472 10 0 CEAERO CC(C)[NH+]1CCN(CCOc2cncc(Cl)c2)CC1 ZINC000675076238 540117686 /nfs/dbraw/zinc/11/76/86/540117686.db2.gz LWWUGRSOOJPHGV-UHFFFAOYSA-N 1 0 283.803 2.140 10 0 CEAERO [NH3+]C[C@]12CCC[C@H]1CN(c1ccc(Br)cn1)C2 ZINC000379833154 540121184 /nfs/dbraw/zinc/12/11/84/540121184.db2.gz YGHMVNCTVRKQMX-GWCFXTLKSA-N 1 0 296.212 2.409 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)CCCc1c[nH]c2ccccc12 ZINC000380008445 540123674 /nfs/dbraw/zinc/12/36/74/540123674.db2.gz RAOFVFZUPJYARI-LBPRGKRZSA-N 1 0 273.380 2.215 10 0 CEAERO CCc1cc(CC)nc(N2C[C@@H]3CCC[C@]3(C[NH3+])C2)n1 ZINC000380694737 540135020 /nfs/dbraw/zinc/13/50/20/540135020.db2.gz FWXBVULREUPFJH-LRDDRELGSA-N 1 0 274.412 2.167 10 0 CEAERO CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1(C)C ZINC000261668224 540149924 /nfs/dbraw/zinc/14/99/24/540149924.db2.gz FSKVFNKTLMFKIV-YIYPIFLZSA-N 1 0 282.428 2.023 10 0 CEAERO Fc1ccc(-c2noc(C[C@H]3CCC[NH2+]C3)n2)cc1 ZINC000054301382 540207747 /nfs/dbraw/zinc/20/77/47/540207747.db2.gz HAIZUBOEVAHUSK-SNVBAGLBSA-N 1 0 261.300 2.418 10 0 CEAERO C[C@H]1C[C@H](C(=O)N2CC[N@@H+]3CCC[C@H]3C2)C[C@@H](C)C1 ZINC000248534460 291103562 /nfs/dbraw/zinc/10/35/62/291103562.db2.gz GDOGMKXRYRKUOZ-YJNKXOJESA-N 1 0 264.413 2.365 10 0 CEAERO O[C@H](c1ccsc1Br)[C@@H]1CCC[NH2+]1 ZINC000575541348 366294823 /nfs/dbraw/zinc/29/48/23/366294823.db2.gz FLFUTBCSAOYIAN-JGVFFNPUSA-N 1 0 262.172 2.296 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)N(C)c1ccccc1 ZINC000175361025 188947071 /nfs/dbraw/zinc/94/70/71/188947071.db2.gz IFNWYNPMGXIHQY-INIZCTEOSA-N 1 0 289.423 2.066 10 0 CEAERO CS[C@H]1CCCC[N@H+](C[C@@H](O)COC(C)(C)C)C1 ZINC000134613732 366347501 /nfs/dbraw/zinc/34/75/01/366347501.db2.gz AGRMURCANWNWEB-OLZOCXBDSA-N 1 0 275.458 2.380 10 0 CEAERO CC(C)Cc1nnc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])s1 ZINC000227420034 538833714 /nfs/dbraw/zinc/83/37/14/538833714.db2.gz MVHQVFJDNHHTDG-NXEZZACHSA-N 1 0 282.413 2.050 10 0 CEAERO C[C@@H](NC(=O)[C@]1(C)CCC[NH2+]1)c1ccc(F)c(F)c1 ZINC000079513432 538891162 /nfs/dbraw/zinc/89/11/62/538891162.db2.gz IRXIVCYZNGRWCE-OTYXRUKQSA-N 1 0 268.307 2.284 10 0 CEAERO CC[C@H](NC(=O)[C@]1(C)CCC[NH2+]1)c1ccc(OC)cc1 ZINC000079514956 363611823 /nfs/dbraw/zinc/61/18/23/363611823.db2.gz NZWGSGVMEPMAPH-HOCLYGCPSA-N 1 0 276.380 2.405 10 0 CEAERO CCN(Cc1ccc(OC)cc1)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079545240 363613756 /nfs/dbraw/zinc/61/37/56/363613756.db2.gz NIUZRHOWHVFREQ-MRXNPFEDSA-N 1 0 276.380 2.186 10 0 CEAERO NC(=O)c1cnc2ccccc2c1N[C@H]1CCCC[C@H]1[NH3+] ZINC000038051120 283389174 /nfs/dbraw/zinc/38/91/74/283389174.db2.gz DWWYOAFWAAXQFI-OCCSQVGLSA-N 1 0 284.363 2.016 10 0 CEAERO Brc1ccc([C@@]23CC[C@H]2CC[NH2+]3)cn1 ZINC000685946628 540634455 /nfs/dbraw/zinc/63/44/55/540634455.db2.gz DFTVRRRTWPQBNY-GZMMTYOYSA-N 1 0 253.143 2.443 10 0 CEAERO ClC(Cl)(Cl)c1ncc(C[NH2+]C2CC2)[nH]1 ZINC000685959104 540658392 /nfs/dbraw/zinc/65/83/92/540658392.db2.gz JOOAVRQLNBBNLC-UHFFFAOYSA-N 1 0 254.548 2.488 10 0 CEAERO Nc1ccc(SC2C[NH2+]C2)c(Br)c1 ZINC000148266508 366579912 /nfs/dbraw/zinc/57/99/12/366579912.db2.gz HXQJSSPTAOJXFD-UHFFFAOYSA-N 1 0 259.172 2.095 10 0 CEAERO O[C@H](CN[C@H]1CCc2ccccc21)C[NH+]1CCCCC1 ZINC000151268058 366634822 /nfs/dbraw/zinc/63/48/22/366634822.db2.gz XEWQHMFVPSDGGS-WBVHZDCISA-N 1 0 274.408 2.110 10 0 CEAERO C[NH+](C)C[C@H](NC(=O)C[C@@H]1CCCCO1)c1ccccc1 ZINC000151844888 366669310 /nfs/dbraw/zinc/66/93/10/366669310.db2.gz RDYRIXCXUJJIBX-HOTGVXAUSA-N 1 0 290.407 2.365 10 0 CEAERO C[NH2+]CCCN(C)C(=O)[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000127183925 283512282 /nfs/dbraw/zinc/51/22/82/283512282.db2.gz CPTFEJFVNZPYBZ-JKSUJKDBSA-N 1 0 290.407 2.222 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccccc1F ZINC000177025857 189021569 /nfs/dbraw/zinc/02/15/69/189021569.db2.gz HAVBUDYMVFDHBW-AWEZNQCLSA-N 1 0 293.386 2.451 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)NCc1ccccc1OC1CCC1 ZINC000236967377 370667968 /nfs/dbraw/zinc/66/79/68/370667968.db2.gz COOMHPVFWWONOF-CQSZACIVSA-N 1 0 276.380 2.362 10 0 CEAERO O[C@H](CN1CC[N@@H+]2CCCC[C@@H]2C1)c1cc(F)ccc1F ZINC000177779309 189068990 /nfs/dbraw/zinc/06/89/90/189068990.db2.gz WPLJFZCWOLBTJC-CZUORRHYSA-N 1 0 296.361 2.168 10 0 CEAERO CC(=O)Nc1cccc(CN2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000177772691 189068772 /nfs/dbraw/zinc/06/87/72/189068772.db2.gz CRMQNZSMVIAJLO-QGZVFWFLSA-N 1 0 287.407 2.315 10 0 CEAERO CCn1cc([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@@H]2O)cn1 ZINC000178359028 189109805 /nfs/dbraw/zinc/10/98/05/189109805.db2.gz LNFJEJGDYHLMBR-XZJROXQQSA-N 1 0 271.364 2.212 10 0 CEAERO Cn1cccc1[C@H]1CCC[N@@H+]1C[C@@H](O)COC(C)(C)C ZINC000178495727 189120876 /nfs/dbraw/zinc/12/08/76/189120876.db2.gz ZNBMKQGEHRGBCE-UKRRQHHQSA-N 1 0 280.412 2.338 10 0 CEAERO [NH3+][C@@H]1CCC[C@H](C(=O)N[C@H]2C[C@H]2c2ccccc2)C1 ZINC000250811882 283581386 /nfs/dbraw/zinc/58/13/86/283581386.db2.gz LVEWYGXKIWCMHC-XGUBFFRZSA-N 1 0 258.365 2.176 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]2CN(c3ncccc3Cl)C[C@@H]21 ZINC000230133632 283589036 /nfs/dbraw/zinc/58/90/36/283589036.db2.gz LBQCCZKUBNUEQZ-JBLDHEPKSA-N 1 0 251.761 2.299 10 0 CEAERO Cc1cccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)c1Cl ZINC000179043965 189164761 /nfs/dbraw/zinc/16/47/61/189164761.db2.gz JEIJUEHHTLGXDO-LLVKDONJSA-N 1 0 266.772 2.425 10 0 CEAERO O=C(/C=C/c1ccc(Cl)nc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179343026 189187880 /nfs/dbraw/zinc/18/78/80/189187880.db2.gz GQTUNSUONWVEOX-DIECRNLCSA-N 1 0 291.782 2.055 10 0 CEAERO CCC[C@@H](C(=O)N1CCc2ccc(OC)cc2C1)[NH+](C)C ZINC000179612101 189207112 /nfs/dbraw/zinc/20/71/12/189207112.db2.gz BHZAFJXYUDFXCB-INIZCTEOSA-N 1 0 290.407 2.310 10 0 CEAERO Cn1cc([C@@H]2CC[N@H+](Cc3ccc4c[nH]nc4c3)C2)cn1 ZINC000179806424 189221557 /nfs/dbraw/zinc/22/15/57/189221557.db2.gz KQFGMWZYKJIOFC-CQSZACIVSA-N 1 0 281.363 2.286 10 0 CEAERO Cn1cc([C@H]2CCC[N@@H+]2Cc2cccc3nccn32)cn1 ZINC000180052588 189235012 /nfs/dbraw/zinc/23/50/12/189235012.db2.gz JQKKVAKOBNEKFF-OAHLLOKOSA-N 1 0 281.363 2.405 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Cc1ccc(C)c(O)c1 ZINC000180348261 189251318 /nfs/dbraw/zinc/25/13/18/189251318.db2.gz AYCUIICUAYHXMC-OAHLLOKOSA-N 1 0 290.407 2.186 10 0 CEAERO Cc1ccc(C[C@@H]([NH2+]C[C@@H]2CN(C)CCO2)C2CC2)cc1 ZINC000180501111 189259333 /nfs/dbraw/zinc/25/93/33/189259333.db2.gz KAHKWSALCLJIAY-QZTJIDSGSA-N 1 0 288.435 2.236 10 0 CEAERO [NH3+][C@]1(Cc2ccccc2)CCCc2[nH]c(=O)ccc21 ZINC000003778583 361290745 /nfs/dbraw/zinc/29/07/45/361290745.db2.gz GVPVCSJUJQHDFL-INIZCTEOSA-N 1 0 254.333 2.108 10 0 CEAERO Cc1cc(NCC[NH+](C)C)c2cc(C(=O)[O-])ccc2[nH+]1 ZINC000004226435 361306440 /nfs/dbraw/zinc/30/64/40/361306440.db2.gz CVOKKAIEMQIFCA-UHFFFAOYSA-N 1 0 273.336 2.215 10 0 CEAERO CCOc1cc(C)ccc1CNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000237041591 370683404 /nfs/dbraw/zinc/68/34/04/370683404.db2.gz PWZZBCVZBGDOPK-JSGCOSHPSA-N 1 0 276.380 2.137 10 0 CEAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)CS(C)(=O)=O)cc1C ZINC000081902524 363747624 /nfs/dbraw/zinc/74/76/24/363747624.db2.gz UPAQBRVESXLUQA-CHWSQXEVSA-N 1 0 269.410 2.387 10 0 CEAERO CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)Cc1ncc(C)c(OC)c1C ZINC000182100604 189314065 /nfs/dbraw/zinc/31/40/65/189314065.db2.gz PGQFHVYIGAOTAD-YGRLFVJLSA-N 1 0 293.411 2.039 10 0 CEAERO COc1ccccc1NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000011961943 361370543 /nfs/dbraw/zinc/37/05/43/361370543.db2.gz WGVWCKUCVHDVMG-ZDUSSCGKSA-N 1 0 270.332 2.204 10 0 CEAERO Cc1ccc(C)c(-c2ccc(N3CC[NH2+]CC3)nn2)c1 ZINC000011567982 361359716 /nfs/dbraw/zinc/35/97/16/361359716.db2.gz VHALKXGHDDZSCK-UHFFFAOYSA-N 1 0 268.364 2.170 10 0 CEAERO [NH3+][C@H](Cn1ccnc1)c1ccc(Br)cc1 ZINC000011848838 361366473 /nfs/dbraw/zinc/36/64/73/361366473.db2.gz MRZXMUDQTWUEOU-LLVKDONJSA-N 1 0 266.142 2.346 10 0 CEAERO [NH3+][C@@H](Cn1ccnc1)c1cccc(Br)c1 ZINC000011848839 361366647 /nfs/dbraw/zinc/36/66/47/361366647.db2.gz QKXJYJXWDBDHJZ-NSHDSACASA-N 1 0 266.142 2.346 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc2ccccc2[nH]1 ZINC000083550326 363778270 /nfs/dbraw/zinc/77/82/70/363778270.db2.gz BUVVPNOBJFYXIM-TZMCWYRMSA-N 1 0 283.375 2.477 10 0 CEAERO CCC(CC)(CC)CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000154703094 366785116 /nfs/dbraw/zinc/78/51/16/366785116.db2.gz TYCLPPKLMLQPOU-AWEZNQCLSA-N 1 0 299.459 2.175 10 0 CEAERO C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000155052017 366804669 /nfs/dbraw/zinc/80/46/69/366804669.db2.gz WSEAWEGGFAJTAE-GDBMZVCRSA-N 1 0 294.439 2.278 10 0 CEAERO C[C@@H](Nc1cc[nH+]cc1C(N)=O)c1cccc(O)c1 ZINC000184104641 189376466 /nfs/dbraw/zinc/37/64/66/189376466.db2.gz REXNCAQDNPSVCS-SECBINFHSA-N 1 0 257.293 2.059 10 0 CEAERO Cc1cccnc1/C=C/C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000184389218 189384575 /nfs/dbraw/zinc/38/45/75/189384575.db2.gz VIVQIPKEMLKEET-KIUWMYQTSA-N 1 0 285.391 2.100 10 0 CEAERO Cc1ccc([C@H](C)[NH2+]CCN2CCOCC2)cc1C ZINC000019954928 361570658 /nfs/dbraw/zinc/57/06/58/361570658.db2.gz QZBIPGHUWGCROV-HNNXBMFYSA-N 1 0 262.397 2.286 10 0 CEAERO CC/C=C/CC[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000184516573 189388714 /nfs/dbraw/zinc/38/87/14/189388714.db2.gz YZCNOANQOBRXRH-ONEGZZNKSA-N 1 0 260.385 2.345 10 0 CEAERO Cc1nnc(NC[C@@H]2CCC[N@H+]2CC(C)C)s1 ZINC000301855153 201233061 /nfs/dbraw/zinc/23/30/61/201233061.db2.gz QVKLRVUXPTYCJZ-NSHDSACASA-N 1 0 254.403 2.379 10 0 CEAERO C[C@@H]([NH2+]CC1(O)CCOCC1)c1cc(F)ccc1F ZINC000162282042 541121074 /nfs/dbraw/zinc/12/10/74/541121074.db2.gz LBZULIPUPUZQQC-SNVBAGLBSA-N 1 0 271.307 2.157 10 0 CEAERO CC(C)(C[NH2+][C@@H]1CCCN(CCO)C1)c1ccccc1 ZINC000678730327 541167979 /nfs/dbraw/zinc/16/79/79/541167979.db2.gz UVCZJBFYVBAOSY-MRXNPFEDSA-N 1 0 276.424 2.011 10 0 CEAERO [NH3+]Cc1ccn(-c2ccc(Br)cc2)n1 ZINC000084179233 363800384 /nfs/dbraw/zinc/80/03/84/363800384.db2.gz NMPRBTXRPRRXGK-UHFFFAOYSA-N 1 0 252.115 2.094 10 0 CEAERO COc1ccc([C@@H](O)[C@@H]([NH3+])CC(C)C)cc1OC ZINC000032108010 361726649 /nfs/dbraw/zinc/72/66/49/361726649.db2.gz IWSNJCVWVLFEPB-SMDDNHRTSA-N 1 0 253.342 2.111 10 0 CEAERO CN(CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)C1CCCC1 ZINC000085638447 363836059 /nfs/dbraw/zinc/83/60/59/363836059.db2.gz KCLLUAVSWAULCP-ZNMIVQPWSA-N 1 0 266.429 2.264 10 0 CEAERO 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298.390 2.231 10 0 CEAERO C[C@H]1C[C@@H](C(=O)N2CCC(C(F)F)CC2)CC[N@@H+]1C ZINC000336015708 365294531 /nfs/dbraw/zinc/29/45/31/365294531.db2.gz WJBYKVONEWDMFJ-JQWIXIFHSA-N 1 0 274.355 2.220 10 0 CEAERO CCC[C@@H](C(=O)N[C@H](C)CC(C)(C)OC)[NH+](C)C ZINC000120286267 365402086 /nfs/dbraw/zinc/40/20/86/365402086.db2.gz LTFFDFSAENWEHM-NEPJUHHUSA-N 1 0 258.406 2.037 10 0 CEAERO Cc1ncc(CN2CCN(Cc3cccn3C)CC2)s1 ZINC000120458990 365427872 /nfs/dbraw/zinc/42/78/72/365427872.db2.gz BOBXYGPGVRLANL-UHFFFAOYSA-N 1 0 290.436 2.108 10 0 CEAERO C[NH+](C)C[C@H]1CN(CCCC2CCCC2)CCO1 ZINC000120611040 365450401 /nfs/dbraw/zinc/45/04/01/365450401.db2.gz NAEACGXOIBTNDE-HNNXBMFYSA-N 1 0 254.418 2.219 10 0 CEAERO Cc1cnn(CCCCC[NH+]2[C@H](C)COC[C@H]2C)c1 ZINC000120955204 365502316 /nfs/dbraw/zinc/50/23/16/365502316.db2.gz QOUQVIHQPHSVMV-HUUCEWRRSA-N 1 0 265.401 2.471 10 0 CEAERO C[C@@H]([NH3+])C[C@@H](C)Nc1ccncc1Br ZINC000160032012 366967289 /nfs/dbraw/zinc/96/72/89/366967289.db2.gz DREKJORIAFYMOH-HTQZYQBOSA-N 1 0 258.163 2.382 10 0 CEAERO CCC[C@H](C(=O)N[C@H](C)c1ccc2c(c1)OCO2)[NH+](C)C ZINC000161551083 367096916 /nfs/dbraw/zinc/09/69/16/367096916.db2.gz ZUFXQPYELKZQAR-DGCLKSJQSA-N 1 0 292.379 2.323 10 0 CEAERO CCC[C@@H](C(=O)NCc1ccc(OC(C)C)nc1)[NH+](C)C ZINC000161610390 367101110 /nfs/dbraw/zinc/10/11/10/367101110.db2.gz CBOZTFIEFPOQTE-AWEZNQCLSA-N 1 0 293.411 2.215 10 0 CEAERO C[C@@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@@H](C)C1)c1cccs1 ZINC000245527655 370833829 /nfs/dbraw/zinc/83/38/29/370833829.db2.gz QDMAHKFJIPNBET-GRYCIOLGSA-N 1 0 282.409 2.035 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1COc2ccccc21 ZINC000245427808 370818651 /nfs/dbraw/zinc/81/86/51/370818651.db2.gz IBDYPMUJHKJLQJ-ZFWWWQNUSA-N 1 0 288.391 2.105 10 0 CEAERO C[C@H]1CN(C(=O)c2ccc(Cl)s2)C[C@H]1C[NH3+] ZINC000638886770 370820601 /nfs/dbraw/zinc/82/06/01/370820601.db2.gz SOMDGXPEYGMKPQ-JGVFFNPUSA-N 1 0 258.774 2.068 10 0 CEAERO CCc1sc(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)cc1C ZINC000638890647 370824131 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UAQNUJPXBIJBIH-CVEARBPZSA-N 1 0 290.407 2.365 10 0 CEAERO C[C@@H]1CC[N@H+](C[C@@H](O)COCc2ccccc2)[C@H]1C ZINC000252645838 371461149 /nfs/dbraw/zinc/46/11/49/371461149.db2.gz CEZYZURVDKINFQ-IJEWVQPXSA-N 1 0 263.381 2.294 10 0 CEAERO CSc1ccc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)o1 ZINC000252663487 371463738 /nfs/dbraw/zinc/46/37/38/371463738.db2.gz JRXCQFURWSMNHQ-WDEREUQCSA-N 1 0 282.409 2.460 10 0 CEAERO CCC[C@H](C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)[NH+](C)C ZINC000252735896 371475459 /nfs/dbraw/zinc/47/54/59/371475459.db2.gz RZUNSTMQLSIINQ-TUVASFSCSA-N 1 0 294.439 2.181 10 0 CEAERO [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc4c(c3)CCC4)C[C@H]12 ZINC000261607313 371674615 /nfs/dbraw/zinc/67/46/15/371674615.db2.gz RRCBDNXCLZXDLL-YESZJQIVSA-N 1 0 256.393 2.344 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc4c(c3)CCC4)C[C@H]12 ZINC000261607312 371675605 /nfs/dbraw/zinc/67/56/05/371675605.db2.gz RRCBDNXCLZXDLL-IXDOHACOSA-N 1 0 256.393 2.344 10 0 CEAERO COC(=O)c1c2cc(Cl)ccc2nc2c1C[NH2+]CC2 ZINC000259129529 371622945 /nfs/dbraw/zinc/62/29/45/371622945.db2.gz GAZXYFFTFUYQQX-UHFFFAOYSA-N 1 0 276.723 2.321 10 0 CEAERO COc1ccc(Cl)cc1CN1C[C@H](C)[C@H]([NH3+])C1 ZINC000261541606 371639639 /nfs/dbraw/zinc/63/96/39/371639639.db2.gz KUDNJHIOVGULMV-JOYOIKCWSA-N 1 0 254.761 2.128 10 0 CEAERO C[C@H]1CN(Cc2cc(-c3cccs3)on2)C[C@H]1[NH3+] ZINC000261549729 371643956 /nfs/dbraw/zinc/64/39/56/371643956.db2.gz JICQBSXELPYUKF-GXSJLCMTSA-N 1 0 263.366 2.182 10 0 CEAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3cccc(N)c3)C2)n1 ZINC000261746320 371718338 /nfs/dbraw/zinc/71/83/38/371718338.db2.gz VOYCVVBACLNFOS-INIZCTEOSA-N 1 0 299.422 2.389 10 0 CEAERO C[NH2+][C@H](C)Cc1noc(CCOc2cc(C)cc(C)c2)n1 ZINC000261655283 371694541 /nfs/dbraw/zinc/69/45/41/371694541.db2.gz FGQQWPNLOPCGNM-CYBMUJFWSA-N 1 0 289.379 2.458 10 0 CEAERO Cc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)cc1 ZINC000261992556 371792938 /nfs/dbraw/zinc/79/29/38/371792938.db2.gz SWZISMBYKYLIJE-KURKYZTESA-N 1 0 288.435 2.284 10 0 CEAERO [NH3+]C[C@@H]1CCCN1CCSCc1ccccc1 ZINC000261995367 371795498 /nfs/dbraw/zinc/79/54/98/371795498.db2.gz SSXLISKZQPLOEV-AWEZNQCLSA-N 1 0 250.411 2.343 10 0 CEAERO CC(C)C[C@H]1CCCN(C(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000262177032 371834266 /nfs/dbraw/zinc/83/42/66/371834266.db2.gz YWCCBKQRFRVFFR-UKRRQHHQSA-N 1 0 282.428 2.025 10 0 CEAERO C[C@]1(CN2CCC[C@H](c3noc(C4CC4)n3)C2)CC[NH2+]C1 ZINC000262039511 371808647 /nfs/dbraw/zinc/80/86/47/371808647.db2.gz OZDDWCYYIAWCKK-BBRMVZONSA-N 1 0 290.411 2.126 10 0 CEAERO Fc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)cc1 ZINC000262051223 371813673 /nfs/dbraw/zinc/81/36/73/371813673.db2.gz ZPFYIJJYUWTAAT-OAGGEKHMSA-N 1 0 278.371 2.072 10 0 CEAERO C[C@H]1CN(Cc2c[nH]nc2-c2c(F)cccc2F)C[C@H]1[NH3+] ZINC000262067307 371816440 /nfs/dbraw/zinc/81/64/40/371816440.db2.gz RRUCQSABRVATKY-TVQRCGJNSA-N 1 0 292.333 2.134 10 0 CEAERO COc1ccc([C@H](C)CN2C[C@@H](C)[NH2+]C[C@H]2C)cc1 ZINC000262082473 371819420 /nfs/dbraw/zinc/81/94/20/371819420.db2.gz TWOKJIADEAYLGU-MGPQQGTHSA-N 1 0 262.397 2.481 10 0 CEAERO COc1c(Br)cccc1CN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000262103397 371824108 /nfs/dbraw/zinc/82/41/08/371824108.db2.gz VTPVOGDWGXSKQO-SKDRFNHKSA-N 1 0 299.212 2.237 10 0 CEAERO CCC[C@@H](C)C[N@@H+]1CCC[C@H]([NH+](C)CC(=O)[O-])CC1 ZINC000263520208 371940114 /nfs/dbraw/zinc/94/01/14/371940114.db2.gz QNBNJACQFIJSLO-KGLIPLIRSA-N 1 0 270.417 2.294 10 0 CEAERO CCC[C@H]([NH3+])C(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C ZINC000262701023 371899119 /nfs/dbraw/zinc/89/91/19/371899119.db2.gz HYFUJMMVURWBMM-FRRDWIJNSA-N 1 0 270.417 2.071 10 0 CEAERO [NH3+]Cc1cn(CCc2cc(Cl)cc(Cl)c2)nn1 ZINC000641141294 372340278 /nfs/dbraw/zinc/34/02/78/372340278.db2.gz JTHHLULTTXQHHT-UHFFFAOYSA-N 1 0 271.151 2.286 10 0 CEAERO Cc1cccc(CSCC(=O)N2CCC[C@@H]2C[NH3+])c1 ZINC000237642141 189885889 /nfs/dbraw/zinc/88/58/89/189885889.db2.gz OIMWMPOVBTXMCJ-CQSZACIVSA-N 1 0 278.421 2.178 10 0 CEAERO CCCC[C@@H](CC)CNC(=O)[C@]1(COC)CCC[NH2+]1 ZINC000643614292 373221436 /nfs/dbraw/zinc/22/14/36/373221436.db2.gz QLUSGOGHDWFIRC-UKRRQHHQSA-N 1 0 270.417 2.088 10 0 CEAERO CCCC1CCC(NC(=O)[C@@]2(COC)CCC[NH2+]2)CC1 ZINC000643657776 373230865 /nfs/dbraw/zinc/23/08/65/373230865.db2.gz BYDXFEYONSUEIP-XUJLQICISA-N 1 0 282.428 2.230 10 0 CEAERO CC(C)Oc1ccc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000644064876 373374270 /nfs/dbraw/zinc/37/42/70/373374270.db2.gz ZPGWQKJWGDYVOA-HIFRSBDPSA-N 1 0 276.380 2.331 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]CCc2cn[nH]c2)c1C ZINC000353612131 220190673 /nfs/dbraw/zinc/19/06/73/220190673.db2.gz QHKIXMQHZBNCSO-JTQLQIEISA-N 1 0 261.373 2.136 10 0 CEAERO O=C(NC[C@H]1CC[NH2+]C1)C1(c2cccc(Cl)c2)CCC1 ZINC000644108731 373412791 /nfs/dbraw/zinc/41/27/91/373412791.db2.gz YOOJFECWGMTDAD-LBPRGKRZSA-N 1 0 292.810 2.487 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1ccc2c(c1)CCC2 ZINC000247186096 220219675 /nfs/dbraw/zinc/21/96/75/220219675.db2.gz LDPFRPLUMMVWTG-KDOFPFPSSA-N 1 0 298.430 2.413 10 0 CEAERO C[C@H](COCc1ccccc1)NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000246256750 189926192 /nfs/dbraw/zinc/92/61/92/189926192.db2.gz KJVXYBKJUVANOO-VNQPRFMTSA-N 1 0 290.407 2.225 10 0 CEAERO CCc1cc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)nc(C)n1 ZINC000272916988 373711188 /nfs/dbraw/zinc/71/11/88/373711188.db2.gz SMHOXDCVSVCAMN-SMDDNHRTSA-N 1 0 260.385 2.020 10 0 CEAERO C[C@@H](OC1CCCCCC1)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000237392590 296205417 /nfs/dbraw/zinc/20/54/17/296205417.db2.gz IBMFFPHNLQCAAJ-CHWSQXEVSA-N 1 0 268.401 2.064 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCc1ccc(Cl)cc1 ZINC000384499585 375211903 /nfs/dbraw/zinc/21/19/03/375211903.db2.gz WTJGVSCFJSXMNB-SMDDNHRTSA-N 1 0 280.799 2.387 10 0 CEAERO CCN1CC[C@H]([NH2+][C@H](C)c2c(C)nn(CC)c2C)C1 ZINC000389283658 375302274 /nfs/dbraw/zinc/30/22/74/375302274.db2.gz VIEWRJIFOCTDGP-RISCZKNCSA-N 1 0 264.417 2.265 10 0 CEAERO O=C1CC[C@H]([NH2+]C2CCC(C(F)(F)F)CC2)CCN1 ZINC000396689403 375335277 /nfs/dbraw/zinc/33/52/77/375335277.db2.gz OQPXXANGPPYNTO-ILDUYXDCSA-N 1 0 278.318 2.366 10 0 CEAERO C[C@H](Cc1ccccc1F)[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000282333150 375459576 /nfs/dbraw/zinc/45/95/76/375459576.db2.gz OFIHYWBRKDMMET-SUNKGSAMSA-N 1 0 264.344 2.013 10 0 CEAERO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(CO)o2)C[C@H](C)O1 ZINC000282391585 375472942 /nfs/dbraw/zinc/47/29/42/375472942.db2.gz YAMYZSRASDVWLJ-ZSBIGDGJSA-N 1 0 253.342 2.065 10 0 CEAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000282257843 375442167 /nfs/dbraw/zinc/44/21/67/375442167.db2.gz GWUKYLQIQMUHMF-BXKDBHETSA-N 1 0 252.745 2.097 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)c1ccc(F)cc1F ZINC000282460333 375490010 /nfs/dbraw/zinc/49/00/10/375490010.db2.gz TWKIKUBRHVZMLD-MWODSPESSA-N 1 0 268.307 2.283 10 0 CEAERO C[C@@H]1C[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)[C@@H](C)O1 ZINC000414294385 375826407 /nfs/dbraw/zinc/82/64/07/375826407.db2.gz ZHRDEWJOQPBADA-YOVYLDAJSA-N 1 0 253.386 2.203 10 0 CEAERO Clc1cc(OC2C[NH2+]C2)ccc1Br ZINC000307322345 376563240 /nfs/dbraw/zinc/56/32/40/376563240.db2.gz YTFQNIHZHBCROH-UHFFFAOYSA-N 1 0 262.534 2.453 10 0 CEAERO CC1(C)C[NH2+][C@H]1c1ncc(I)s1 ZINC000306183722 376543043 /nfs/dbraw/zinc/54/30/43/376543043.db2.gz BSYJOMSBIGWOGB-LURJTMIESA-N 1 0 294.161 2.418 10 0 CEAERO Cc1ccc(NC2=[NH+]CCN2)cc1Br ZINC000165703090 542119853 /nfs/dbraw/zinc/11/98/53/542119853.db2.gz ROPPBSZVYQYZHH-UHFFFAOYSA-N 1 0 254.131 2.129 10 0 CEAERO CC[C@](C)(C[N@@H+]1C[C@H]2CCCCN2C[C@H]1C)OC ZINC000323261406 376835366 /nfs/dbraw/zinc/83/53/66/376835366.db2.gz WVLOUHADPUXPIA-RBSFLKMASA-N 1 0 254.418 2.360 10 0 CEAERO O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000564667615 377430892 /nfs/dbraw/zinc/43/08/92/377430892.db2.gz NLAADYVXRAQIBX-NJVJYBDUSA-N 1 0 265.397 2.227 10 0 CEAERO COC[C@]1(C)CC[N@H+](C[C@](C)(O)c2ccccc2)C1 ZINC000294083797 377898619 /nfs/dbraw/zinc/89/86/19/377898619.db2.gz AOGIRPDXZRFQDS-CVEARBPZSA-N 1 0 263.381 2.253 10 0 CEAERO CCC[N@H+](C[C@H](O)COCc1ccccc1)CC(C)(C)O ZINC000265995619 190221689 /nfs/dbraw/zinc/22/16/89/190221689.db2.gz HHWCRWLSCDZZKL-INIZCTEOSA-N 1 0 295.423 2.047 10 0 CEAERO OCC[C@@H]1CSCC[N@@H+]1C[C@@H]1Cc2ccccc21 ZINC000347051500 218106786 /nfs/dbraw/zinc/10/67/86/218106786.db2.gz KLRUGXZZBXLVHN-UONOGXRCSA-N 1 0 263.406 2.126 10 0 CEAERO Cn1cc([C@@H](CNc2ncnc3ccccc32)[NH+](C)C)cn1 ZINC000301303528 379252747 /nfs/dbraw/zinc/25/27/47/379252747.db2.gz WRXYKVPHQNDRPX-OAHLLOKOSA-N 1 0 296.378 2.078 10 0 CEAERO C[C@H](CNc1cc[nH+]cc1C(N)=O)c1cccs1 ZINC000302229339 379337143 /nfs/dbraw/zinc/33/71/43/379337143.db2.gz RGSSZUXWVGAMMI-SECBINFHSA-N 1 0 261.350 2.458 10 0 CEAERO C[N@H+](CCN1CCOCC1(C)C)Cc1ccc(F)cc1 ZINC000181658729 542275094 /nfs/dbraw/zinc/27/50/94/542275094.db2.gz STPICTHAVKOZML-UHFFFAOYSA-N 1 0 280.387 2.368 10 0 CEAERO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)COCc1ccccc1 ZINC000183045563 542286125 /nfs/dbraw/zinc/28/61/25/542286125.db2.gz FAHUJHWHMCOEDJ-UONOGXRCSA-N 1 0 299.436 2.005 10 0 CEAERO CCN(C(=O)C[NH2+][C@H](C)[C@H]1CCCO1)C1CCCCC1 ZINC000183086275 542286415 /nfs/dbraw/zinc/28/64/15/542286415.db2.gz QWWNWGNJBNGHRU-UKRRQHHQSA-N 1 0 282.428 2.325 10 0 CEAERO CC1(C)CN(C(=O)NC[C@H]2CCC(F)(F)C2)CC[C@@H]1[NH3+] ZINC000334942229 207329970 /nfs/dbraw/zinc/32/99/70/207329970.db2.gz BFCZOXSNDDGHAP-QWRGUYRKSA-N 1 0 289.370 2.191 10 0 CEAERO CNC(=O)[C@H]([NH2+]CCOc1ccc(Cl)cc1)C(C)C ZINC000183655581 542294175 /nfs/dbraw/zinc/29/41/75/542294175.db2.gz LYVLEDQNBGDVBO-CYBMUJFWSA-N 1 0 284.787 2.079 10 0 CEAERO CC(C)(CO)[NH2+]C[C@H](O)c1cc(Cl)ccc1Cl ZINC000037888259 184542786 /nfs/dbraw/zinc/54/27/86/184542786.db2.gz KTWDQDRGGKYFEC-NSHDSACASA-N 1 0 278.179 2.387 10 0 CEAERO CN(C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1)C1CCCC1 ZINC000334966292 207378036 /nfs/dbraw/zinc/37/80/36/207378036.db2.gz GNTZVUTZZMWAHM-GFCCVEGCSA-N 1 0 253.390 2.040 10 0 CEAERO CCC[NH2+][C@H]1CCCN(Cc2cccc(OC)c2)C1=O ZINC000071041237 184574746 /nfs/dbraw/zinc/57/47/46/184574746.db2.gz XCYIRQLFVXOBMK-HNNXBMFYSA-N 1 0 276.380 2.186 10 0 CEAERO C[C@H]1OCCC[C@@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000191689948 542344051 /nfs/dbraw/zinc/34/40/51/542344051.db2.gz NJRMXVMDLHAPRT-ZBFHGGJFSA-N 1 0 294.439 2.136 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1Sc1nnc(C2CC2)n1C1CC1 ZINC000081857069 184597993 /nfs/dbraw/zinc/59/79/93/184597993.db2.gz GTBBBYIDZLUDBF-MNOVXSKESA-N 1 0 264.398 2.462 10 0 CEAERO CC[NH2+][C@H](C)CSc1nnc2n1CCCCC2 ZINC000081865814 184598193 /nfs/dbraw/zinc/59/81/93/184598193.db2.gz RMTWKINOMXIHOC-SNVBAGLBSA-N 1 0 254.403 2.095 10 0 CEAERO [NH3+][C@@H]1CCOC[C@H]1Sc1ccc(C(F)(F)F)cn1 ZINC000081863295 184598248 /nfs/dbraw/zinc/59/82/48/184598248.db2.gz NWOKJBMWSBZMED-RKDXNWHRSA-N 1 0 278.299 2.309 10 0 CEAERO C[NH2+][C@@H]1CCOC[C@H]1Sc1nc2cc(OC)ccc2[nH]1 ZINC000081866504 184598857 /nfs/dbraw/zinc/59/88/57/184598857.db2.gz MUJMHXLPLOHZMW-DGCLKSJQSA-N 1 0 293.392 2.041 10 0 CEAERO CC[C@](C)(C[NH3+])OCC(=O)Nc1cccc(C)c1 ZINC000086710180 184609936 /nfs/dbraw/zinc/60/99/36/184609936.db2.gz YJEKPQNMMJOCSJ-CQSZACIVSA-N 1 0 250.342 2.078 10 0 CEAERO COc1cc(C[NH3+])ccc1Oc1nc(C)ns1 ZINC000087632797 184613021 /nfs/dbraw/zinc/61/30/21/184613021.db2.gz QVIMVCADCLVSLL-UHFFFAOYSA-N 1 0 251.311 2.106 10 0 CEAERO CC[NH2+]CCCc1ccc(S(=O)(=O)N(C)C2CC2)cc1 ZINC000088941116 184614365 /nfs/dbraw/zinc/61/43/65/184614365.db2.gz PYVFAYVZDRYRKB-UHFFFAOYSA-N 1 0 296.436 2.012 10 0 CEAERO O=C(Nc1ccc(F)cc1F)OC[C@@H]1CC[NH2+]C1 ZINC000092743454 184624596 /nfs/dbraw/zinc/62/45/96/184624596.db2.gz SUJXICMHRWPHLX-MRVPVSSYSA-N 1 0 256.252 2.123 10 0 CEAERO COc1cc(OC)c([C@H]2CC[NH2+]C[C@@H]2C)cc1OC ZINC000092691517 184621938 /nfs/dbraw/zinc/62/19/38/184621938.db2.gz HDUCUELWDYGDGY-QWRGUYRKSA-N 1 0 265.353 2.425 10 0 CEAERO COC(=O)[C@H](C)[C@@H](C)[NH2+]CCc1ccc(OC)c(OC)c1 ZINC000093025398 184642982 /nfs/dbraw/zinc/64/29/82/184642982.db2.gz ZUYQXSPMGNMLSH-VXGBXAGGSA-N 1 0 295.379 2.034 10 0 CEAERO COC(=O)[C@H](C)[C@@H](C)[NH2+]CCc1ccc(F)cc1 ZINC000093025473 184643130 /nfs/dbraw/zinc/64/31/30/184643130.db2.gz PTDRNWFAFFSDQQ-GHMZBOCLSA-N 1 0 253.317 2.155 10 0 CEAERO c1ncn(C2CC2)c1[C@H]1OCCC[C@H]1C[NH2+]C1CC1 ZINC000092887297 184633364 /nfs/dbraw/zinc/63/33/64/184633364.db2.gz DLVLAHBSKHYGQK-NHYWBVRUSA-N 1 0 261.369 2.438 10 0 CEAERO COCC[NH2+]C[C@@H]1CCO[C@@H]1c1ccccc1OC ZINC000092882267 184633757 /nfs/dbraw/zinc/63/37/57/184633757.db2.gz FPVGABOGIBAFMG-WFASDCNBSA-N 1 0 265.353 2.009 10 0 CEAERO COCC[NH2+]C[C@@H]1CCO[C@H]1c1sccc1C ZINC000092882166 184633761 /nfs/dbraw/zinc/63/37/61/184633761.db2.gz OKKMCTBYSZZMPK-NWDGAFQWSA-N 1 0 255.383 2.370 10 0 CEAERO CC(C)C[NH2+]C[C@H]1CCCO[C@@H]1C1CCOCC1 ZINC000092887969 184633831 /nfs/dbraw/zinc/63/38/31/184633831.db2.gz MUOQTPAGCJOVGX-HUUCEWRRSA-N 1 0 255.402 2.454 10 0 CEAERO CN(C)C(=O)c1ccc(Cl)cc1N[C@@H]1CC[C@@H]([NH3+])C1 ZINC000093207172 184655753 /nfs/dbraw/zinc/65/57/53/184655753.db2.gz WTNMVVCPHNVTAT-GHMZBOCLSA-N 1 0 281.787 2.334 10 0 CEAERO C[NH2+]C[C@@H](CCOCCOC)c1cccc(F)c1 ZINC000093164813 184653143 /nfs/dbraw/zinc/65/31/43/184653143.db2.gz PDFUPHWMFNRZTL-CYBMUJFWSA-N 1 0 255.333 2.182 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](Nc2cc3c(cc2Cl)NC(=O)C3)C1 ZINC000093206418 184655835 /nfs/dbraw/zinc/65/58/35/184655835.db2.gz WMYZRIOGOYNBAW-RKDXNWHRSA-N 1 0 265.744 2.126 10 0 CEAERO CC(C)[NH2+]C[C@@H](c1ccccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000093178016 184653510 /nfs/dbraw/zinc/65/35/10/184653510.db2.gz AEFMCXKGVDVOKH-GXTWGEPZSA-N 1 0 299.411 2.342 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N(C)[C@@H](C)Cc1cccs1 ZINC000093289219 184660610 /nfs/dbraw/zinc/66/06/10/184660610.db2.gz SFKWKWANWOAFPL-JTQLQIEISA-N 1 0 254.399 2.136 10 0 CEAERO Cc1nn(C)c(N(C)[C@H](C)Cc2cccs2)c1CC[NH3+] ZINC000093290370 184660758 /nfs/dbraw/zinc/66/07/58/184660758.db2.gz XDERSZWWJHHSLM-LLVKDONJSA-N 1 0 292.452 2.359 10 0 CEAERO CCNC(=O)c1cccc(N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000093211533 184656129 /nfs/dbraw/zinc/65/61/29/184656129.db2.gz PWBCOZCIYKKWGE-TZMCWYRMSA-N 1 0 261.369 2.118 10 0 CEAERO [NH3+][C@H]1CCC[C@@H](Nc2ccc(C(=O)NC3CC3)cc2)C1 ZINC000093211972 184656175 /nfs/dbraw/zinc/65/61/75/184656175.db2.gz ZNXDJGWJFMBLGU-SWLSCSKDSA-N 1 0 273.380 2.261 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1coc(C2CCC2)n1 ZINC000194551896 542361191 /nfs/dbraw/zinc/36/11/91/542361191.db2.gz OTGDFDHPUSQYKG-ZDUSSCGKSA-N 1 0 291.395 2.498 10 0 CEAERO Cc1ccccc1[C@H](C)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000289305999 197290990 /nfs/dbraw/zinc/29/09/90/197290990.db2.gz DJHLNOSUGWBOJZ-ZFWWWQNUSA-N 1 0 262.397 2.101 10 0 CEAERO CCc1nnc(CN2C[C@H]3CCCC[N@@H+]3C[C@H]2C)s1 ZINC000392061661 542375149 /nfs/dbraw/zinc/37/51/49/542375149.db2.gz CSPLROMTEUZPBT-VXGBXAGGSA-N 1 0 280.441 2.159 10 0 CEAERO CC(C)[C@@H]1CC[C@@H](S(=O)(=O)C(C)C)[C@@H](C[NH3+])C1 ZINC000725266041 542374189 /nfs/dbraw/zinc/37/41/89/542374189.db2.gz QFOVWOMIWVVGFS-JHJVBQTASA-N 1 0 261.431 2.209 10 0 CEAERO CC(C)[C@@H]1CC[C@H](S(=O)(=O)C(C)C)[C@H](C[NH3+])C1 ZINC000725266038 542374231 /nfs/dbraw/zinc/37/42/31/542374231.db2.gz QFOVWOMIWVVGFS-AGIUHOORSA-N 1 0 261.431 2.209 10 0 CEAERO [NH2+]=C1NCC(Cc2ccccc2)(Cc2ccccc2)N1 ZINC000093357435 184666608 /nfs/dbraw/zinc/66/66/08/184666608.db2.gz QCVQDMVGZIBAHW-UHFFFAOYSA-N 1 0 265.360 2.129 10 0 CEAERO CCOc1ccc2nc([C@]3(C)COC[C@H]3[NH3+])sc2c1 ZINC000093421623 184673717 /nfs/dbraw/zinc/67/37/17/184673717.db2.gz CSOJXUDQUIMYSM-TZMCWYRMSA-N 1 0 278.377 2.310 10 0 CEAERO C[C@H](NC(=O)C1CCC(C[NH3+])CC1)c1ccncc1 ZINC000093424840 184673895 /nfs/dbraw/zinc/67/38/95/184673895.db2.gz PJTCRGKBYYBLNY-DCBWTQNWSA-N 1 0 261.369 2.024 10 0 CEAERO [NH3+]CC1CCC(c2nc(Cc3cccnc3)no2)CC1 ZINC000093430666 184673948 /nfs/dbraw/zinc/67/39/48/184673948.db2.gz XFIFHLZLMZSVKL-UHFFFAOYSA-N 1 0 272.352 2.288 10 0 CEAERO CCOC(C[NH2+]Cc1sccc1NC(C)=O)OCC ZINC000093447020 184675776 /nfs/dbraw/zinc/67/57/76/184675776.db2.gz HTOGTVZBRCJQAI-UHFFFAOYSA-N 1 0 286.397 2.195 10 0 CEAERO O=C1CCC[C@@H]1[C@@H]1CCC[N@H+]1CCOC(F)(F)F ZINC000093450140 184676352 /nfs/dbraw/zinc/67/63/52/184676352.db2.gz MFUZYESUKJQVEY-ZJUUUORDSA-N 1 0 265.275 2.356 10 0 CEAERO CN(C)c1ncccc1N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000093451985 184677563 /nfs/dbraw/zinc/67/75/63/184677563.db2.gz FZWNJESYHMFXJW-HZSPNIEDSA-N 1 0 274.412 2.480 10 0 CEAERO CCC[NH2+][C@@H]1c2ccccc2OC[C@@H]1S(=O)(=O)CCC ZINC000081940700 177904556 /nfs/dbraw/zinc/90/45/56/177904556.db2.gz PARRANKBLYETKN-LSDHHAIUSA-N 1 0 297.420 2.313 10 0 CEAERO CCC[NH2+][C@@H](CS(=O)(=O)CC)c1cc(C)ccc1OC ZINC000081925942 177899619 /nfs/dbraw/zinc/89/96/19/177899619.db2.gz HCYYOYAERFSLHA-AWEZNQCLSA-N 1 0 299.436 2.479 10 0 CEAERO CCC[NH2+][C@H](C)[C@H](C)S(=O)(=O)c1ccc(F)cc1 ZINC000081921156 177895351 /nfs/dbraw/zinc/89/53/51/177895351.db2.gz ZYJDENCGZLFLLT-MNOVXSKESA-N 1 0 273.373 2.376 10 0 CEAERO CCC[C@@H](CS(=O)(=O)c1ccc(C)c(C)c1)[NH2+]C ZINC000081922063 177895144 /nfs/dbraw/zinc/89/51/44/177895144.db2.gz JFYKRHURVSOVBS-ZDUSSCGKSA-N 1 0 269.410 2.465 10 0 CEAERO CC[NH2+][C@H]1CCCCC[C@H]1Sc1n[nH]c(=O)n1C1CC1 ZINC000081880267 177875043 /nfs/dbraw/zinc/87/50/43/177875043.db2.gz KCQJZRSXVXAFCT-NWDGAFQWSA-N 1 0 296.440 2.309 10 0 CEAERO CCn1c(SC[C@@H]([NH3+])c2cc(C)ccc2C)n[nH]c1=O ZINC000081879883 177873974 /nfs/dbraw/zinc/87/39/74/177873974.db2.gz KJIRKALDJQEKNK-GFCCVEGCSA-N 1 0 292.408 2.000 10 0 CEAERO Cc1cccc2c1OCCC[C@H]2[NH2+][C@@H](C)CS(C)(=O)=O ZINC000081901930 177885586 /nfs/dbraw/zinc/88/55/86/177885586.db2.gz USXRXOVOAPYVFJ-GXTWGEPZSA-N 1 0 297.420 2.231 10 0 CEAERO CC[NH2+][C@H](CSc1nc(C)cc(=O)[nH]1)C(C)(C)C ZINC000081868449 177867771 /nfs/dbraw/zinc/86/77/71/177867771.db2.gz GGLRBTBDSDZQNT-SNVBAGLBSA-N 1 0 269.414 2.195 10 0 CEAERO [NH3+][C@@H]1CCCCCC[C@H]1Sc1nnnn1C1CC1 ZINC000081867507 177867298 /nfs/dbraw/zinc/86/72/98/177867298.db2.gz GNBKPMXXOCJQNA-GHMZBOCLSA-N 1 0 267.402 2.150 10 0 CEAERO C[NH2+][C@@H]1CCC2(C[C@H]1SCC(C)C)OCCO2 ZINC000081772170 177856561 /nfs/dbraw/zinc/85/65/61/177856561.db2.gz UBFIGXSBGCIBLG-VXGBXAGGSA-N 1 0 259.415 2.259 10 0 CEAERO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CC1C[NH2+]C1 ZINC000081749928 177853821 /nfs/dbraw/zinc/85/38/21/177853821.db2.gz CWHSYTSNKHPIJO-VIFPVBQESA-N 1 0 268.307 2.094 10 0 CEAERO O[C@@H]1CCCC[C@@H]1N1CC[NH+](CC2CCCCC2)CC1 ZINC000305444951 285310707 /nfs/dbraw/zinc/31/07/07/285310707.db2.gz OTHYPRFQFWMERJ-DLBZAZTESA-N 1 0 280.456 2.488 10 0 CEAERO CCOC(=O)CCCN1Cc2ccc(F)cc2C1=[NH2+] ZINC000081546260 177815240 /nfs/dbraw/zinc/81/52/40/177815240.db2.gz UEODESMHMJFQBD-UHFFFAOYSA-N 1 0 264.300 2.310 10 0 CEAERO O=C(N[C@H]1CCOc2ccccc21)[C@H]1CCCCC[NH2+]1 ZINC000080995205 177750699 /nfs/dbraw/zinc/75/06/99/177750699.db2.gz BMVGPFNSSNZJSR-UONOGXRCSA-N 1 0 274.364 2.159 10 0 CEAERO Fc1ccc(Cc2noc([C@H]3CC[NH2+]C3)n2)c(F)c1 ZINC000080961543 177741477 /nfs/dbraw/zinc/74/14/77/177741477.db2.gz IWUCRGWECSKVDC-VIFPVBQESA-N 1 0 265.263 2.016 10 0 CEAERO CC[C@H](C)[NH2+][C@@H](C(N)=O)c1cccc2c1OC(C)(C)C2 ZINC000080509766 177660929 /nfs/dbraw/zinc/66/09/29/177660929.db2.gz FIVSHECWHWDFFL-GXFFZTMASA-N 1 0 276.380 2.315 10 0 CEAERO CCCNC(=O)Cn1ccc2c1cccc2C[NH2+]CC ZINC000080336163 177643451 /nfs/dbraw/zinc/64/34/51/177643451.db2.gz KPAYLDSTDTXVNL-UHFFFAOYSA-N 1 0 273.380 2.277 10 0 CEAERO CCC[NH2+][C@H]1CCN([C@H](CC)c2nccs2)C1=O ZINC000080314555 177639276 /nfs/dbraw/zinc/63/92/76/177639276.db2.gz AOAMFFKRXHEPSX-WDEREUQCSA-N 1 0 267.398 2.195 10 0 CEAERO CC(C)[N@H+](CC(N)=S)Cc1cccc(F)c1F ZINC000080223777 177628440 /nfs/dbraw/zinc/62/84/40/177628440.db2.gz LUGYROMQDQJIIX-UHFFFAOYSA-N 1 0 258.337 2.461 10 0 CEAERO CCC[NH2+][C@H]1CCC[C@@H]1CCN1C(=O)CC(C)(C)C1=O ZINC000093557850 184691041 /nfs/dbraw/zinc/69/10/41/184691041.db2.gz WOMHADCFPGFOOQ-OLZOCXBDSA-N 1 0 280.412 2.330 10 0 CEAERO CC[NH2+][C@@]1(C(N)=O)CCC[C@@H]1CCN(C)c1ccccc1 ZINC000093583747 184692756 /nfs/dbraw/zinc/69/27/56/184692756.db2.gz CESTWBXWPMXKPI-PBHICJAKSA-N 1 0 289.423 2.147 10 0 CEAERO C[NH2+][C@@]1(C(=O)[O-])CCC[C@@H]1CC[NH+]1CCC(C)(C)CC1 ZINC000093593331 184694002 /nfs/dbraw/zinc/69/40/02/184694002.db2.gz DHEDITDJUPXXFK-CJNGLKHVSA-N 1 0 282.428 2.341 10 0 CEAERO [NH3+][C@@]1(CO)CCC[C@H]1CCOc1cc(F)ccc1F ZINC000093619427 184696544 /nfs/dbraw/zinc/69/65/44/184696544.db2.gz NLCZKSNNIXHJLD-IINYFYTJSA-N 1 0 271.307 2.224 10 0 CEAERO Cc1nn(CC[C@@H]2CCC[C@@]2(CO)[NH2+]C2CC2)c(C)c1C ZINC000093618909 184696625 /nfs/dbraw/zinc/69/66/25/184696625.db2.gz JKBAVYKXCLLIEM-RDJZCZTQSA-N 1 0 291.439 2.482 10 0 CEAERO CC(C)[NH2+][C@@]1(CO)CCC[C@H]1CCOC1CCC1 ZINC000093619280 184696859 /nfs/dbraw/zinc/69/68/59/184696859.db2.gz KYTFXDMELUUEBY-DZGCQCFKSA-N 1 0 255.402 2.475 10 0 CEAERO C[NH2+][C@@]1(CO)CCC[C@H]1CCSc1ncc(C)cn1 ZINC000093623297 184697575 /nfs/dbraw/zinc/69/75/75/184697575.db2.gz KKXQJOOTRYTOKG-GXTWGEPZSA-N 1 0 281.425 2.018 10 0 CEAERO [NH3+][C@]1(CO)CCC[C@@H]1CCSCc1ccco1 ZINC000093623372 184697715 /nfs/dbraw/zinc/69/77/15/184697715.db2.gz GEWLLIOOBWKIRB-YPMHNXCESA-N 1 0 255.383 2.393 10 0 CEAERO C[NH2+][C@]1(C(N)=O)CCC[C@H]1CCOc1cc(C)cc(C)c1 ZINC000093624851 184698255 /nfs/dbraw/zinc/69/82/55/184698255.db2.gz OVRYRBGJZONWCD-WMLDXEAASA-N 1 0 290.407 2.316 10 0 CEAERO COC(=O)[C@@]1([NH3+])CCC[C@H]1CCOc1ccccc1OC ZINC000093625059 184698351 /nfs/dbraw/zinc/69/83/51/184698351.db2.gz FMEBSTFFFWKIAI-BLLLJJGKSA-N 1 0 293.363 2.135 10 0 CEAERO CC(C)SCC[C@@H]1CCC[C@@]1([NH2+]C1CC1)C(N)=O ZINC000093629782 184698521 /nfs/dbraw/zinc/69/85/21/184698521.db2.gz WVTKFTDYKXICMW-FZMZJTMJSA-N 1 0 270.442 2.294 10 0 CEAERO CCC[NH2+][C@@H](C[C@H]1CCCN(S(C)(=O)=O)C1)C(C)C ZINC000093699965 184708127 /nfs/dbraw/zinc/70/81/27/184708127.db2.gz AUVVDDVHRWMIHG-KGLIPLIRSA-N 1 0 290.473 2.072 10 0 CEAERO CCC[NH2+]CC(C)(C)Cn1nnc(-c2ccccc2)n1 ZINC000093719379 184710243 /nfs/dbraw/zinc/71/02/43/184710243.db2.gz LSZUMYRMYMXDAF-UHFFFAOYSA-N 1 0 273.384 2.366 10 0 CEAERO CC(C)[NH2+][C@]1(C(=O)[O-])CCC[C@@H]([N@@H+]2CCC[C@@H]2C)C1 ZINC000093747955 184713118 /nfs/dbraw/zinc/71/31/18/184713118.db2.gz UUSZWOOKYGDBMO-GZBFAFLISA-N 1 0 268.401 2.235 10 0 CEAERO CCC[NH2+][C@@]1(CO)CCC[C@H](n2ccc(C)n2)C1 ZINC000093784362 184720991 /nfs/dbraw/zinc/72/09/91/184720991.db2.gz TYOWWCXDDBPBCW-KBPBESRZSA-N 1 0 251.374 2.037 10 0 CEAERO CC[NH2+][C@]1(CO)CCC[C@@H](Oc2ccccc2F)C1 ZINC000093785407 184721995 /nfs/dbraw/zinc/72/19/95/184721995.db2.gz PALKUUIFFNMYBX-IUODEOHRSA-N 1 0 267.344 2.488 10 0 CEAERO CC[NH2+][C@H](c1ccccc1OC)[C@@H]1CN(C(C)C)CCO1 ZINC000093927392 184744706 /nfs/dbraw/zinc/74/47/06/184744706.db2.gz UNZVRSQRTYPXPG-DLBZAZTESA-N 1 0 292.423 2.455 10 0 CEAERO Cc1cc(C(=O)N(C)CC2CC[NH2+]CC2)sc1C ZINC000094022148 184750719 /nfs/dbraw/zinc/75/07/19/184750719.db2.gz KVKBWGUIMZJIPG-UHFFFAOYSA-N 1 0 266.410 2.437 10 0 CEAERO CCCCNC(=O)N(CC1CC[NH2+]CC1)C(C)C ZINC000094023640 184751018 /nfs/dbraw/zinc/75/10/18/184751018.db2.gz HFRASCUVXMBAOQ-UHFFFAOYSA-N 1 0 255.406 2.206 10 0 CEAERO CCCn1c(C[C@](C)(O)C[NH2+]C2CC2)nc2ccccc21 ZINC000094173308 184759236 /nfs/dbraw/zinc/75/92/36/184759236.db2.gz ZYPZEPZBPPGGFB-KRWDZBQOSA-N 1 0 287.407 2.492 10 0 CEAERO C[NH2+][C@H](C)c1cccc(NC(=O)[C@@H]2CCO[C@@H]2C)c1 ZINC000094175114 184759743 /nfs/dbraw/zinc/75/97/43/184759743.db2.gz AIBFUJJMAKRYDT-JTNHKYCSSA-N 1 0 262.353 2.331 10 0 CEAERO CC(C)(C)c1csc(C[C@@H]([NH3+])[C@H]2CCOC2)n1 ZINC000094256575 184770252 /nfs/dbraw/zinc/77/02/52/184770252.db2.gz ZLFKQKNQZBJSDM-VHSXEESVSA-N 1 0 254.399 2.347 10 0 CEAERO Cc1ccc(S(=O)(=O)[C@H]2CCC(C)(C)[C@H]2[NH3+])cc1 ZINC000094310980 184778521 /nfs/dbraw/zinc/77/85/21/184778521.db2.gz RMULFDRCGYOEIW-STQMWFEESA-N 1 0 267.394 2.285 10 0 CEAERO COCCOc1c(F)cc(C[NH2+]C(C)C)cc1F ZINC000094347360 184786230 /nfs/dbraw/zinc/78/62/30/184786230.db2.gz JJKLDWXLOHFSSB-UHFFFAOYSA-N 1 0 259.296 2.488 10 0 CEAERO C[C@H]([NH3+])c1ccc(O[C@H]2CCO[C@]3(CCOC3)C2)cc1 ZINC000094363406 184789298 /nfs/dbraw/zinc/78/92/98/184789298.db2.gz WEEXHJSKBIJWBQ-VBNZEHGJSA-N 1 0 277.364 2.423 10 0 CEAERO C(CC1CCCC1)[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000094368283 184790437 /nfs/dbraw/zinc/79/04/37/184790437.db2.gz URKANHXBFRRQIH-LSDHHAIUSA-N 1 0 253.386 2.494 10 0 CEAERO CCOC(OCC)[C@@H]([NH3+])[C@H]1CCOC2(CCCC2)C1 ZINC000094407972 184793668 /nfs/dbraw/zinc/79/36/68/184793668.db2.gz VBDYXZVIDUOAHF-STQMWFEESA-N 1 0 271.401 2.452 10 0 CEAERO OC[C@H]1CC[N@@H+]([C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000094411022 184794673 /nfs/dbraw/zinc/79/46/73/184794673.db2.gz HYFBAMOPHBADES-UONOGXRCSA-N 1 0 253.386 2.183 10 0 CEAERO CCC[NH2+]C[C@](C)(O)[C@@H]1CCOC2(CCSCC2)C1 ZINC000094418846 184794890 /nfs/dbraw/zinc/79/48/90/184794890.db2.gz CEHNZOGXNBZQGA-KGLIPLIRSA-N 1 0 287.469 2.429 10 0 CEAERO [NH3+]C[C@@H](Cc1ccccc1)Nc1ccc2nccnc2n1 ZINC000094727537 184848283 /nfs/dbraw/zinc/84/82/83/184848283.db2.gz HCPXNXSDYNOBKF-CYBMUJFWSA-N 1 0 279.347 2.007 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@H]1C(=O)NCc1ccccc1F ZINC000094749270 184852466 /nfs/dbraw/zinc/85/24/66/184852466.db2.gz RTMOLXKINKKCJL-TZMCWYRMSA-N 1 0 264.344 2.350 10 0 CEAERO C[NH2+][C@H](C)c1ccc(NC(=O)[C@@]2(C)CCCO2)cc1 ZINC000094787518 184863917 /nfs/dbraw/zinc/86/39/17/184863917.db2.gz SDJCKMSNPSAMAR-IAQYHMDHSA-N 1 0 262.353 2.475 10 0 CEAERO CCCn1ncnc1C[C@@](C)([NH3+])c1cc(F)cc(F)c1 ZINC000094829469 184875555 /nfs/dbraw/zinc/87/55/55/184875555.db2.gz AZCJLTZUDJGDQM-CQSZACIVSA-N 1 0 280.322 2.383 10 0 CEAERO Cc1ccccc1N1C(=[NH2+])NC[C@@]12CS[C@H](C)C2 ZINC000094475200 184808289 /nfs/dbraw/zinc/80/82/89/184808289.db2.gz DFSMQTYOPXIWOZ-RISCZKNCSA-N 1 0 261.394 2.394 10 0 CEAERO [NH3+][C@H](CCC(F)(F)F)[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000094492805 184809839 /nfs/dbraw/zinc/80/98/39/184809839.db2.gz QPHNAAUBCQWDMK-MXWKQRLJSA-N 1 0 267.291 2.242 10 0 CEAERO C[NH2+][C@H](CCc1ccccc1)[C@H]1CSCCO1 ZINC000094503288 184811494 /nfs/dbraw/zinc/81/14/94/184811494.db2.gz MMZRFJQSXQEJCG-ZIAGYGMSSA-N 1 0 251.395 2.339 10 0 CEAERO CO[C@H]1C[NH2+][C@H](C(=O)N(CCC(C)C)C2CCCC2)C1 ZINC000094847813 184879925 /nfs/dbraw/zinc/87/99/25/184879925.db2.gz AVWGHOJIXMXXFL-CABCVRRESA-N 1 0 282.428 2.181 10 0 CEAERO CSc1ccccc1C(=O)N1C[C@@H](C)C[C@H]([NH3+])C1 ZINC000094549323 184815841 /nfs/dbraw/zinc/81/58/41/184815841.db2.gz DWZRUIKFSJJXEG-QWRGUYRKSA-N 1 0 264.394 2.218 10 0 CEAERO [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)O1 ZINC000094563330 184818508 /nfs/dbraw/zinc/81/85/08/184818508.db2.gz IPNNEMHJJPUVJJ-MNOVXSKESA-N 1 0 289.162 2.438 10 0 CEAERO Cc1ccc(O)c(NC(=O)c2ccc(CC[NH3+])cc2)c1 ZINC000094574160 184821263 /nfs/dbraw/zinc/82/12/63/184821263.db2.gz REXQYOCAFWPCMW-UHFFFAOYSA-N 1 0 270.332 2.454 10 0 CEAERO Cc1ccc2nc(NC[C@@H]3CC[N@@H+](C(C)C)C3)nn2c1 ZINC000094603825 184824654 /nfs/dbraw/zinc/82/46/54/184824654.db2.gz MPKSNADTASZKAH-ZDUSSCGKSA-N 1 0 273.384 2.180 10 0 CEAERO CC[C@H]([NH2+]C)c1nc(-c2ccc(Cl)cn2)no1 ZINC000094842481 184878623 /nfs/dbraw/zinc/87/86/23/184878623.db2.gz IAMIAUKHMHJNCK-QMMMGPOBSA-N 1 0 252.705 2.456 10 0 CEAERO CC(C)[NH2+][C@@](C)(C[C@@H](C)Sc1ccncc1)C(N)=O ZINC000094615407 184826562 /nfs/dbraw/zinc/82/65/62/184826562.db2.gz JKTBIQZXZGMNDN-RISCZKNCSA-N 1 0 281.425 2.194 10 0 CEAERO C[NH2+][C@H](c1ncccc1C)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094642006 184832567 /nfs/dbraw/zinc/83/25/67/184832567.db2.gz XXZKPVHNYIYQST-YDHLFZDLSA-N 1 0 296.436 2.254 10 0 CEAERO CCN(C(=O)c1cccnc1C)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000094649287 184834536 /nfs/dbraw/zinc/83/45/36/184834536.db2.gz ABSCWFPXAAKIEL-UKRRQHHQSA-N 1 0 275.396 2.370 10 0 CEAERO CCC(CC)[C@H](O)C1([NH+]2CCOCC2)CCCC1 ZINC000094676341 184838946 /nfs/dbraw/zinc/83/89/46/184838946.db2.gz UZVUNSQXQYEKKC-AWEZNQCLSA-N 1 0 255.402 2.429 10 0 CEAERO CC(C)C[C@@H](C[NH3+])C(=O)Nc1ccc2c(c1)CCO2 ZINC000094698049 184841474 /nfs/dbraw/zinc/84/14/74/184841474.db2.gz ARZIYGFPTSWMTC-LBPRGKRZSA-N 1 0 262.353 2.181 10 0 CEAERO CC(C)C[C@@H](C[NH3+])C(=O)N[C@@H]1CCOc2ccccc21 ZINC000094697869 184841560 /nfs/dbraw/zinc/84/15/60/184841560.db2.gz ROIWVBTYENTQFW-GXTWGEPZSA-N 1 0 276.380 2.247 10 0 CEAERO CC(C)C[C@@H](C[NH3+])C(=O)Nc1ccccc1-n1cccn1 ZINC000094697739 184842082 /nfs/dbraw/zinc/84/20/82/184842082.db2.gz LLMHJQHWUIXGPN-ZDUSSCGKSA-N 1 0 286.379 2.432 10 0 CEAERO COc1ccc([C@H](C)NC(=O)[C@@H](C[NH3+])CC(C)C)cc1 ZINC000094700899 184842180 /nfs/dbraw/zinc/84/21/80/184842180.db2.gz LCFKIEWHJXRTSL-GXTWGEPZSA-N 1 0 278.396 2.493 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1CNC(=O)Cc1cccc(F)c1F ZINC000094714887 184845515 /nfs/dbraw/zinc/84/55/15/184845515.db2.gz WFNOKZSKRHBJAU-DGCLKSJQSA-N 1 0 282.334 2.141 10 0 CEAERO C[NH2+][C@H](Cc1nc(C)c(C)s1)C[C@H]1CCCO1 ZINC000094972673 184909332 /nfs/dbraw/zinc/90/93/32/184909332.db2.gz SHMZKHCUNUREFN-NWDGAFQWSA-N 1 0 254.399 2.460 10 0 CEAERO CC[NH2+][C@H](Cc1nc(C)c(C)s1)[C@@H]1CN(CC)CCO1 ZINC000094974580 184909395 /nfs/dbraw/zinc/90/93/95/184909395.db2.gz NZDHXJDZFPSXTH-KGLIPLIRSA-N 1 0 297.468 2.001 10 0 CEAERO COc1ccc(C[NH3+])cc1OCc1cccnc1OC ZINC000095005730 184913110 /nfs/dbraw/zinc/91/31/10/184913110.db2.gz URVMZYUBBPXFBA-UHFFFAOYSA-N 1 0 274.320 2.137 10 0 CEAERO CCC[NH2+]C[C@H]1CCCCN1Cc1cccnc1OC ZINC000095008419 184914757 /nfs/dbraw/zinc/91/47/57/184914757.db2.gz MAVBKXOBQROOJC-OAHLLOKOSA-N 1 0 277.412 2.444 10 0 CEAERO CCC[C@H]1CN(Cc2cccnc2OC)C(C)(C)C[NH2+]1 ZINC000095011358 184915345 /nfs/dbraw/zinc/91/53/45/184915345.db2.gz HOYIYEHPXFJIHN-AWEZNQCLSA-N 1 0 277.412 2.443 10 0 CEAERO CCN(C(=O)Cc1ccc(F)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000095046150 184923271 /nfs/dbraw/zinc/92/32/71/184923271.db2.gz CNEONKFUNJBDEJ-GFCCVEGCSA-N 1 0 282.334 2.108 10 0 CEAERO O=C(Cc1c(F)cccc1F)N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000095045505 184923357 /nfs/dbraw/zinc/92/33/57/184923357.db2.gz SSNCVJYLYTZENH-GJZGRUSLSA-N 1 0 294.345 2.250 10 0 CEAERO Clc1ncc(CO[C@H]2CCC[NH2+]C2)c(Cl)n1 ZINC000095070206 184931915 /nfs/dbraw/zinc/93/19/15/184931915.db2.gz RQVIUVJXTQBMLS-QMMMGPOBSA-N 1 0 262.140 2.052 10 0 CEAERO CN(C[C@H]1CCCC[NH2+]1)c1cnc2ccccc2n1 ZINC000095070833 184933105 /nfs/dbraw/zinc/93/31/05/184933105.db2.gz YODSZDFSPUXHFB-GFCCVEGCSA-N 1 0 256.353 2.208 10 0 CEAERO CC(C)CC[N@H+](C[C@@](N)(CO)C1CC1)C1CCCC1 ZINC000094853676 184881576 /nfs/dbraw/zinc/88/15/76/184881576.db2.gz MLZMIWNZFYREGA-MRXNPFEDSA-N 1 0 268.445 2.377 10 0 CEAERO COc1ccc(F)c(N[C@]2(C[NH3+])CCSC2)c1 ZINC000094858187 184883337 /nfs/dbraw/zinc/88/33/37/184883337.db2.gz HIZKOAZIHZFESM-LBPRGKRZSA-N 1 0 256.346 2.081 10 0 CEAERO CC(C)CC1(CNC(=O)CN2CCC[NH2+]CC2)CCCC1 ZINC000094876285 184885246 /nfs/dbraw/zinc/88/52/46/184885246.db2.gz HTJKBGKBQASICB-UHFFFAOYSA-N 1 0 295.471 2.004 10 0 CEAERO CN(CC(C)(C)C[NH3+])c1ncnc2c1CCCCC2 ZINC000094888257 184888032 /nfs/dbraw/zinc/88/80/32/184888032.db2.gz HADDTSAULHLVRY-UHFFFAOYSA-N 1 0 262.401 2.167 10 0 CEAERO CC[NH2+][C@H](c1ccc(Cl)s1)[C@H]1CN2CCN1CC2 ZINC000094936044 184896347 /nfs/dbraw/zinc/89/63/47/184896347.db2.gz BBZWYYUEFSOPIA-MFKMUULPSA-N 1 0 285.844 2.052 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)NCCc1ccc(F)cc1C ZINC000094956081 184903980 /nfs/dbraw/zinc/90/39/80/184903980.db2.gz XFULKKSHSZGFTF-GFCCVEGCSA-N 1 0 266.360 2.038 10 0 CEAERO Cc1csc(CN2CCC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000094969986 184908665 /nfs/dbraw/zinc/90/86/65/184908665.db2.gz BNFZHZNXHPFGKN-RYUDHWBXSA-N 1 0 251.399 2.168 10 0 CEAERO O[C@H]1CCCC[C@@H]1[N@@H+]1CCOc2c(F)cccc2C1 ZINC000334640856 285361780 /nfs/dbraw/zinc/36/17/80/285361780.db2.gz KHZAVFPHUNFURX-KBPBESRZSA-N 1 0 265.328 2.324 10 0 CEAERO Cc1ccsc1[C@H](C)[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000282152359 195521514 /nfs/dbraw/zinc/52/15/14/195521514.db2.gz CTHPWMYBCMOXPB-DCAQKATOSA-N 1 0 252.383 2.374 10 0 CEAERO C[C@H](c1c(F)cccc1F)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105927945 299619269 /nfs/dbraw/zinc/61/92/69/299619269.db2.gz DPPGXZSLFKKZJO-VXGBXAGGSA-N 1 0 284.350 2.288 10 0 CEAERO Cc1cncc(C[NH+]2CCC(N(C)c3cccnn3)CC2)c1 ZINC000189871596 130033657 /nfs/dbraw/zinc/03/36/57/130033657.db2.gz RIDFYTSKPQCBTA-UHFFFAOYSA-N 1 0 297.406 2.281 10 0 CEAERO CSC[C@@H](O)C[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000189903805 130036831 /nfs/dbraw/zinc/03/68/31/130036831.db2.gz WSDWWSRDAZTRSS-WFASDCNBSA-N 1 0 291.420 2.247 10 0 CEAERO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)c1ccc(F)cn1 ZINC000251581003 131130534 /nfs/dbraw/zinc/13/05/34/131130534.db2.gz WCWDCHRMTPQYID-MISXGVKJSA-N 1 0 252.333 2.422 10 0 CEAERO CCC[C@](C)([NH3+])C(=O)Nc1cccc(C[S@@](C)=O)c1C ZINC000262646659 131245990 /nfs/dbraw/zinc/24/59/90/131245990.db2.gz SEXHYXUDIAKBDJ-MGPUTAFESA-N 1 0 296.436 2.330 10 0 CEAERO [NH3+]CC1(N2CCN(c3ccccc3)CC2)CCSCC1 ZINC000042334954 134887228 /nfs/dbraw/zinc/88/72/28/134887228.db2.gz IQVHCRDHXCVFES-UHFFFAOYSA-N 1 0 291.464 2.033 10 0 CEAERO C[NH2+][C@H](CN1CCN(c2ccccc2)CC1)C(C)(C)C ZINC000043816623 134907299 /nfs/dbraw/zinc/90/72/99/134907299.db2.gz ZMSPPXYVZAFYIJ-MRXNPFEDSA-N 1 0 275.440 2.443 10 0 CEAERO [NH2+]=C(c1ccccc1)N1CCN(c2ccccn2)CC1 ZINC000062989883 134932019 /nfs/dbraw/zinc/93/20/19/134932019.db2.gz KHALQOYWCGCEOA-UHFFFAOYSA-N 1 0 266.348 2.229 10 0 CEAERO CC[NH2+][C@@H]1CCN(C(=O)c2cn[nH]c2)c2ccccc21 ZINC000071324549 134963087 /nfs/dbraw/zinc/96/30/87/134963087.db2.gz HBVZWWRYJHQBNB-CYBMUJFWSA-N 1 0 270.336 2.111 10 0 CEAERO CC[C@H]1C[NH2+]CCN1c1ncccc1Br ZINC000082476636 135007433 /nfs/dbraw/zinc/00/74/33/135007433.db2.gz RSSKNVDTLXLSNR-VIFPVBQESA-N 1 0 270.174 2.032 10 0 CEAERO CC[C@H]1C[NH2+]CCN1c1ccc(Br)cn1 ZINC000082476598 135007489 /nfs/dbraw/zinc/00/74/89/135007489.db2.gz XXLXEZCADHROCY-JTQLQIEISA-N 1 0 270.174 2.032 10 0 CEAERO COc1cc(F)ccc1N1CC[NH2+][C@H](C(C)C)C1 ZINC000083393295 135017491 /nfs/dbraw/zinc/01/74/91/135017491.db2.gz YFDUPZSGOQIRQB-LBPRGKRZSA-N 1 0 252.333 2.269 10 0 CEAERO C[C@@H]1CN(c2ccc(C(F)(F)F)nc2)[C@H](C)C[NH2+]1 ZINC000083431689 135020951 /nfs/dbraw/zinc/02/09/51/135020951.db2.gz CQJKXZWJOGGURK-RKDXNWHRSA-N 1 0 259.275 2.287 10 0 CEAERO COc1cc(N2CC[NH2+]C[C@H]2C)c(OC)cc1Cl ZINC000083517932 135026836 /nfs/dbraw/zinc/02/68/36/135026836.db2.gz VIVDRCSDDFRPAT-SECBINFHSA-N 1 0 270.760 2.155 10 0 CEAERO [NH3+][C@H]1CCCN(c2c(Cl)cccc2Cl)C1=O ZINC000083848967 135031326 /nfs/dbraw/zinc/03/13/26/135031326.db2.gz DFKLJVHUSWAYCC-VIFPVBQESA-N 1 0 259.136 2.448 10 0 CEAERO FC(F)Oc1ccccc1N1CC[NH2+][C@H](C2CC2)C1 ZINC000086127147 135039144 /nfs/dbraw/zinc/03/91/44/135039144.db2.gz LKNDEOSOXNXJQJ-NSHDSACASA-N 1 0 268.307 2.476 10 0 CEAERO CCOc1ccc(OCC)c(N2CC[NH2+][C@H](C)C2)c1 ZINC000086123635 135039362 /nfs/dbraw/zinc/03/93/62/135039362.db2.gz HLMJOQMZSRKCKF-GFCCVEGCSA-N 1 0 264.369 2.282 10 0 CEAERO CCC[C@@H]1CN(c2cc(OC)ccc2OC)CC[NH2+]1 ZINC000086123195 135039487 /nfs/dbraw/zinc/03/94/87/135039487.db2.gz ZXCDDLMJLKSLBI-GFCCVEGCSA-N 1 0 264.369 2.282 10 0 CEAERO C[C@@H]1CCC[C@@]1(C[NH3+])N1CCN(c2ccccc2F)CC1 ZINC000086676604 135048317 /nfs/dbraw/zinc/04/83/17/135048317.db2.gz IQETVHJVIUZCNR-PBHICJAKSA-N 1 0 291.414 2.465 10 0 CEAERO NNc1cccc(N2CCC[C@H](C(F)(F)F)C2)[nH+]1 ZINC000087889296 135052161 /nfs/dbraw/zinc/05/21/61/135052161.db2.gz GHWWODPFYKNIPQ-QMMMGPOBSA-N 1 0 260.263 2.146 10 0 CEAERO [NH3+]C1CCN(c2cncc(OCCC3CC3)c2)CC1 ZINC000088493425 135054696 /nfs/dbraw/zinc/05/46/96/135054696.db2.gz ASTUKMZGSQDSOQ-UHFFFAOYSA-N 1 0 261.369 2.188 10 0 CEAERO NC(=[NH2+])c1cc(N2CCC[C@H](C(F)(F)F)C2)ccn1 ZINC000088421418 135054776 /nfs/dbraw/zinc/05/47/76/135054776.db2.gz YMQIDNIIGFLZBZ-QMMMGPOBSA-N 1 0 272.274 2.144 10 0 CEAERO C[C@@H]1CC[C@H](C)CN1c1ccc(C[NH2+]C2CC2)nn1 ZINC000088710959 135056571 /nfs/dbraw/zinc/05/65/71/135056571.db2.gz IFJZAKXCVQDDEL-NWDGAFQWSA-N 1 0 260.385 2.353 10 0 CEAERO Cc1cccc(N2CCN([C@H]3C[NH2+]CC[C@H]3C)CC2)c1C ZINC000090695464 135064220 /nfs/dbraw/zinc/06/42/20/135064220.db2.gz OUIJXKCYSUKWTA-QAPCUYQASA-N 1 0 287.451 2.423 10 0 CEAERO CCC[NH2+]C[C@H]1CCCN(c2cc(OCC)ncn2)C1 ZINC000090784626 135064588 /nfs/dbraw/zinc/06/45/88/135064588.db2.gz FVCXARYWVRMECA-CYBMUJFWSA-N 1 0 278.400 2.091 10 0 CEAERO CC[NH2+]C[C@@H]1CCCCN1c1cc(OC(C)C)ncn1 ZINC000090786389 135064945 /nfs/dbraw/zinc/06/49/45/135064945.db2.gz XVONYZZFWAPCGW-ZDUSSCGKSA-N 1 0 278.400 2.232 10 0 CEAERO CCCOc1cc(N2CCCC[C@H]2C[NH2+]C2CC2)ncn1 ZINC000090785465 135064976 /nfs/dbraw/zinc/06/49/76/135064976.db2.gz VUQLXBSFRPUEMH-AWEZNQCLSA-N 1 0 290.411 2.376 10 0 CEAERO C[C@@H]([NH3+])c1cc(F)ccc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090906376 135065959 /nfs/dbraw/zinc/06/59/59/135065959.db2.gz YBIHWMHKKZCQBM-JLLWLGSASA-N 1 0 250.317 2.213 10 0 CEAERO C[C@@H](O)c1c(F)cccc1N1CCC[C@@H]([NH+](C)C)C1 ZINC000091392108 135068190 /nfs/dbraw/zinc/06/81/90/135068190.db2.gz VNIOZONFRNCGGP-VXGBXAGGSA-N 1 0 266.360 2.409 10 0 CEAERO C[C@@H](O)c1cc(F)ccc1N1CCC[C@H]([NH+](C)C)C1 ZINC000091394781 135069130 /nfs/dbraw/zinc/06/91/30/135069130.db2.gz DCJWCKPXTZKKBK-YPMHNXCESA-N 1 0 266.360 2.409 10 0 CEAERO C[C@H]1CSCCN1c1cncc(C[NH2+]C(C)(C)C)n1 ZINC000091421832 135069451 /nfs/dbraw/zinc/06/94/51/135069451.db2.gz HYSISHNHEDTTCB-NSHDSACASA-N 1 0 280.441 2.306 10 0 CEAERO C[C@H]1CCc2ccccc2N1c1cncc(C[NH3+])n1 ZINC000091418479 135069577 /nfs/dbraw/zinc/06/95/77/135069577.db2.gz ACJCBUXQZLEQFW-NSHDSACASA-N 1 0 254.337 2.408 10 0 CEAERO C[C@@H]1CN(c2cncc(C[NH2+]C3CC3)n2)C[C@@H](C)S1 ZINC000091421883 135069894 /nfs/dbraw/zinc/06/98/94/135069894.db2.gz KPWGDHUNZTYJKW-GHMZBOCLSA-N 1 0 278.425 2.059 10 0 CEAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CCSc3ccccc32)C1 ZINC000091549081 135072301 /nfs/dbraw/zinc/07/23/01/135072301.db2.gz AEMJGPJOZBTCDT-WDEREUQCSA-N 1 0 262.378 2.253 10 0 CEAERO C[NH2+][C@H]1CCN(C(=O)N2CCCC2)c2ccccc21 ZINC000091962704 135074380 /nfs/dbraw/zinc/07/43/80/135074380.db2.gz FWHQTUKTGPYBKA-ZDUSSCGKSA-N 1 0 259.353 2.373 10 0 CEAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCSc2ccccc21 ZINC000092956000 135077450 /nfs/dbraw/zinc/07/74/50/135077450.db2.gz RVKGMMGNFCAJJZ-QWRGUYRKSA-N 1 0 262.378 2.123 10 0 CEAERO COc1ccc(OC)c(N2CC[C@H]([NH3+])[C@@H](C)[C@@H]2C)c1 ZINC000093031028 135078218 /nfs/dbraw/zinc/07/82/18/135078218.db2.gz BNRROCKJPQXGSR-GVXVVHGQSA-N 1 0 264.369 2.266 10 0 CEAERO COC(=O)[C@H](C)[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000093036272 135078450 /nfs/dbraw/zinc/07/84/50/135078450.db2.gz LDLVIANOGQFRGL-KGLIPLIRSA-N 1 0 276.380 2.006 10 0 CEAERO C[NH2+]C[C@H](C)[C@H](C)N1CCN(c2ccc(F)cc2)CC1 ZINC000093068389 135079042 /nfs/dbraw/zinc/07/90/42/135079042.db2.gz PXRSSNRSZKEQBV-KBPBESRZSA-N 1 0 279.403 2.192 10 0 CEAERO [NH3+][C@@H]1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000093224395 135079950 /nfs/dbraw/zinc/07/99/50/135079950.db2.gz LPNKYLFOKXLETA-KGLIPLIRSA-N 1 0 277.387 2.218 10 0 CEAERO CC(=O)c1ccc(N2CC[NH+](CC(C)C)CC2)cc1O ZINC000093669425 135081317 /nfs/dbraw/zinc/08/13/17/135081317.db2.gz CSERFJHQUISPKZ-UHFFFAOYSA-N 1 0 276.380 2.373 10 0 CEAERO CN1CCN(CC[C@@H]2CCC[C@@H]2[NH3+])c2ccccc21 ZINC000093555394 135081397 /nfs/dbraw/zinc/08/13/97/135081397.db2.gz WIOKKGVCVRPQTF-KBPBESRZSA-N 1 0 259.397 2.460 10 0 CEAERO NC(=[NH2+])C1CCN(c2ncc(Cl)cc2F)CC1 ZINC000094052035 135083379 /nfs/dbraw/zinc/08/33/79/135083379.db2.gz SFWLDTPFFFBTFT-UHFFFAOYSA-N 1 0 256.712 2.026 10 0 CEAERO CC[C@@](C)([NH3+])CN1CCN(c2ccccc2F)CC1 ZINC000094239271 135084448 /nfs/dbraw/zinc/08/44/48/135084448.db2.gz UWHVBFOZFLADMN-OAHLLOKOSA-N 1 0 265.376 2.075 10 0 CEAERO Nc1ccc(F)c(F)c1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094439024 135087744 /nfs/dbraw/zinc/08/77/44/135087744.db2.gz NIVOWBSVAOCKDR-SNVBAGLBSA-N 1 0 267.323 2.222 10 0 CEAERO C[N@H+](CCO)C1CCN(c2ccc3ccccc3n2)CC1 ZINC000272176788 135101943 /nfs/dbraw/zinc/10/19/43/135101943.db2.gz IFFPDTKIHDHQOZ-UHFFFAOYSA-N 1 0 285.391 2.128 10 0 CEAERO CCCCOC[C@H](O)C[N@H+](CC)Cc1ccncc1 ZINC000227906098 394474537 /nfs/dbraw/zinc/47/45/37/394474537.db2.gz YCBARZLZBNTVLM-OAHLLOKOSA-N 1 0 266.385 2.081 10 0 CEAERO CCOc1ccc(SCC(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000236866903 394488368 /nfs/dbraw/zinc/48/83/68/394488368.db2.gz SHQNMGCSYRMOBC-GFCCVEGCSA-N 1 0 294.420 2.127 10 0 CEAERO [NH3+][C@@H](C(=O)N[C@@H]1CCOc2ccccc21)c1ccccc1 ZINC000037032447 394495681 /nfs/dbraw/zinc/49/56/81/394495681.db2.gz RBNXZHCPVQTJRL-GDBMZVCRSA-N 1 0 282.343 2.326 10 0 CEAERO C[C@H](c1ccccn1)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000246157652 394510127 /nfs/dbraw/zinc/51/01/27/394510127.db2.gz IHSZQBJEOIDYLR-CHWSQXEVSA-N 1 0 256.353 2.366 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)NCCc2ccccc2F)C1 ZINC000052500720 394558198 /nfs/dbraw/zinc/55/81/98/394558198.db2.gz RTWYVPRVYHFDJN-AWEZNQCLSA-N 1 0 293.386 2.152 10 0 CEAERO CCOC(=O)CCC[N@H+]1[C@H](C(=O)OC)C[C@@H]2CCCC[C@@H]21 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CC(C)OCCC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248075308 394537084 /nfs/dbraw/zinc/53/70/84/394537084.db2.gz MWQUROVMKGXWNC-LSDHHAIUSA-N 1 0 255.402 2.429 10 0 CEAERO COCC[N@@H+]1CCN([C@H]2CCc3ccc(F)cc32)C[C@@H]1C ZINC000248325197 394538435 /nfs/dbraw/zinc/53/84/35/394538435.db2.gz BCQKYOGTYVJMLL-GUYCJALGSA-N 1 0 292.398 2.466 10 0 CEAERO C[C@H](O)C[N@@H+]1CCN([C@@H]2CCc3ccc(F)cc32)C[C@H]1C ZINC000248343243 394538550 /nfs/dbraw/zinc/53/85/50/394538550.db2.gz KAZZPOBBZYJRSV-IIYDPXPESA-N 1 0 292.398 2.200 10 0 CEAERO [NH3+]C[C@H]1Cc2ccccc2N(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000328558965 394553222 /nfs/dbraw/zinc/55/32/22/394553222.db2.gz DCYDJMYJDMFQDP-REBRKWNGSA-N 1 0 270.376 2.197 10 0 CEAERO CCn1c2ccccc2nc1[C@H](C)[NH2+][C@@H]1CCOC1 ZINC000090036897 394654207 /nfs/dbraw/zinc/65/42/07/394654207.db2.gz QEXYQKHYPHXWEF-NWDGAFQWSA-N 1 0 259.353 2.496 10 0 CEAERO Brc1cncc(NC[C@H]2CCC[NH2+]2)c1 ZINC000261527827 394601629 /nfs/dbraw/zinc/60/16/29/394601629.db2.gz HOCZZZUNEFOCJD-SECBINFHSA-N 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C[C@@H]1CN(C(=O)c2cc3c(s2)CC[C@@H](C)C3)C[C@H]1[NH3+] ZINC000423955285 395034334 /nfs/dbraw/zinc/03/43/34/395034334.db2.gz OTAFJDWPPZMRCY-CKYFFXLPSA-N 1 0 278.421 2.292 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@H]2CCCC23CCCC3)C1 ZINC000382359409 395180543 /nfs/dbraw/zinc/18/05/43/395180543.db2.gz MKJHKALJCDGDCC-CABCVRRESA-N 1 0 266.429 2.410 10 0 CEAERO CC1CCC(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000350028355 395178747 /nfs/dbraw/zinc/17/87/47/395178747.db2.gz UMOCFYIOZANJEN-JXQTWKCFSA-N 1 0 265.401 2.055 10 0 CEAERO Cc1cc(Br)ccc1C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000398348267 395233856 /nfs/dbraw/zinc/23/38/56/395233856.db2.gz HWWOMJALKHTFSU-LLVKDONJSA-N 1 0 283.213 2.457 10 0 CEAERO C[C@H]1CC[C@@H](NC(=O)C[NH2+]C2CC2)c2ccccc21 ZINC000182712289 395246764 /nfs/dbraw/zinc/24/67/64/395246764.db2.gz XHRCNFATMMDARH-XHDPSFHLSA-N 1 0 258.365 2.493 10 0 CEAERO CC[C@@H](C)[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000181124859 395210230 /nfs/dbraw/zinc/21/02/30/395210230.db2.gz OVAWLFJROVMNFG-CQSZACIVSA-N 1 0 264.417 2.078 10 0 CEAERO CCO[C@H]1C[C@H]([NH2+]C2CCCC2)C12CCOCC2 ZINC000186198308 395286890 /nfs/dbraw/zinc/28/68/90/395286890.db2.gz JMIBFNSRHRTXCT-KBPBESRZSA-N 1 0 253.386 2.493 10 0 CEAERO COc1cc(C)nc(C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)c1 ZINC000295210675 395290499 /nfs/dbraw/zinc/29/04/99/395290499.db2.gz LMRVYTLYXDSAQK-CQSZACIVSA-N 1 0 278.396 2.382 10 0 CEAERO C[C@H]1C[C@@H](C(=O)NCC[N@@H+]2CCCOCC2)CC(C)(C)C1 ZINC000189399570 395326459 /nfs/dbraw/zinc/32/64/59/395326459.db2.gz PFPVLPJCBLMZKP-LSDHHAIUSA-N 1 0 296.455 2.287 10 0 CEAERO Nc1ccc(C[NH+]2CCC(c3nccs3)CC2)cn1 ZINC000647537865 395729465 /nfs/dbraw/zinc/72/94/65/395729465.db2.gz RANFPDNNSQNYPU-UHFFFAOYSA-N 1 0 274.393 2.330 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1cccc2ccncc21 ZINC000647827413 395760693 /nfs/dbraw/zinc/76/06/93/395760693.db2.gz AVKSWMVWMKFHPV-WFASDCNBSA-N 1 0 269.348 2.092 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@H]1C1CCC1 ZINC000648051141 395819866 /nfs/dbraw/zinc/81/98/66/395819866.db2.gz ZUCVPNXMYPTSIN-IHRRRGAJSA-N 1 0 250.386 2.153 10 0 CEAERO O=C(N[C@@H](C1CCC1)C1CCCC1)[C@H]1CC[NH2+]C1 ZINC000648201006 395862836 /nfs/dbraw/zinc/86/28/36/395862836.db2.gz YGGMLIWOBXYIMR-UONOGXRCSA-N 1 0 250.386 2.071 10 0 CEAERO Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)c(Cl)c1 ZINC000235342285 292067084 /nfs/dbraw/zinc/06/70/84/292067084.db2.gz NWFZCMPBGUXFSW-BXKDBHETSA-N 1 0 252.745 2.068 10 0 CEAERO Cc1c2cccc(F)c2oc1C(=O)N1CCC[C@H]1C[NH3+] ZINC000646796388 396382050 /nfs/dbraw/zinc/38/20/50/396382050.db2.gz FUSBDSMUAHZMJB-JTQLQIEISA-N 1 0 276.311 2.444 10 0 CEAERO Cc1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c(C)n1 ZINC000187039442 292102365 /nfs/dbraw/zinc/10/23/65/292102365.db2.gz ATPKOORRWOYYAO-BBRMVZONSA-N 1 0 259.397 2.367 10 0 CEAERO COC1(C[N@@H+]2CC3(CCC3)[C@@H]3COC[C@@H]32)CCC1 ZINC000335159464 292110492 /nfs/dbraw/zinc/11/04/92/292110492.db2.gz QSSYPJBEJHPFRS-OLZOCXBDSA-N 1 0 251.370 2.056 10 0 CEAERO CN(C)c1ccccc1NC(=O)C1CCC([NH3+])CC1 ZINC000037629550 400117388 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400543698 /nfs/dbraw/zinc/54/36/98/400543698.db2.gz GXIWGFWCGDQFQF-JKLVUSEFSA-N 1 0 264.413 2.458 10 0 CEAERO Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@H](C)[NH3+])o1 ZINC000262118415 292229283 /nfs/dbraw/zinc/22/92/83/292229283.db2.gz JDLFDOVRHNBKHX-USWWRNFRSA-N 1 0 250.342 2.235 10 0 CEAERO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)COC(C)(C)C)C12CCC2 ZINC000248115713 286247073 /nfs/dbraw/zinc/24/70/73/286247073.db2.gz CWSTUVGIUMNCCW-RBSFLKMASA-N 1 0 299.455 2.442 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C)C12CCOCC2 ZINC000186344293 286284827 /nfs/dbraw/zinc/28/48/27/286284827.db2.gz JUKVIKWGGKBJBV-RBSFLKMASA-N 1 0 299.455 2.347 10 0 CEAERO CCO[C@@H]1C[C@H]([NH3+])C12CCN(C(=O)OC(C)(C)C)CC2 ZINC000071373432 286335386 /nfs/dbraw/zinc/33/53/86/286335386.db2.gz PFTNAMMYIVNWTD-NWDGAFQWSA-N 1 0 284.400 2.140 10 0 CEAERO CC1CC[NH+](CCCCNC(=O)[C@H]2CCCO[C@@H]2C)CC1 ZINC000188763037 153071044 /nfs/dbraw/zinc/07/10/44/153071044.db2.gz BGILLOUOYPGDFU-CVEARBPZSA-N 1 0 296.455 2.430 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cccc2ncccc21 ZINC000189304473 153089340 /nfs/dbraw/zinc/08/93/40/153089340.db2.gz YSVUZMVFFLREBN-BXUZGUMPSA-N 1 0 269.348 2.105 10 0 CEAERO CCC(C)(C)CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000190745919 153143111 /nfs/dbraw/zinc/14/31/11/153143111.db2.gz MFZPYTUWHINFCK-STQMWFEESA-N 1 0 267.417 2.301 10 0 CEAERO CCN(C)c1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cn1 ZINC000191367462 153168731 /nfs/dbraw/zinc/16/87/31/153168731.db2.gz IBCJSRKGMARFDW-HOCLYGCPSA-N 1 0 288.439 2.206 10 0 CEAERO O=C(c1cccc(OC(F)F)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195314607 153279812 /nfs/dbraw/zinc/27/98/12/153279812.db2.gz FXWXBHXBZJOALG-GFCCVEGCSA-N 1 0 296.317 2.208 10 0 CEAERO O=C(CCc1ccc(F)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195318467 153282058 /nfs/dbraw/zinc/28/20/58/153282058.db2.gz WJMWLXGHZYAWRE-OAHLLOKOSA-N 1 0 276.355 2.065 10 0 CEAERO CCCCOC[C@H](O)C[N@H+](C)[C@@H]1C[C@H](OCC)C12CCC2 ZINC000195184275 153283616 /nfs/dbraw/zinc/28/36/16/153283616.db2.gz 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CEAERO Cc1ccc(S(=O)(=O)N(CC[NH3+])C2CCCCC2)cc1 ZINC000020183581 171046441 /nfs/dbraw/zinc/04/64/41/171046441.db2.gz CFKAXBIFPLOISO-UHFFFAOYSA-N 1 0 296.436 2.277 10 0 CEAERO Cc1ccc(S(=O)(=O)CC[C@@H]2CCCC[NH2+]2)cc1 ZINC000020183714 171046539 /nfs/dbraw/zinc/04/65/39/171046539.db2.gz CUEZJOIMVNIQCD-ZDUSSCGKSA-N 1 0 267.394 2.301 10 0 CEAERO C=COCCC[NH2+]Cc1cc(OC)ccc1OC ZINC000020197547 171062155 /nfs/dbraw/zinc/06/21/55/171062155.db2.gz JUTGMFRLJLHQJQ-UHFFFAOYSA-N 1 0 251.326 2.344 10 0 CEAERO [NH3+]Cc1ccc(NC(=O)Cc2ccc(F)cc2)cc1 ZINC000020224340 171086994 /nfs/dbraw/zinc/08/69/94/171086994.db2.gz SHEPPOWZLFDHMY-UHFFFAOYSA-N 1 0 258.296 2.466 10 0 CEAERO CCC(CC)NC(=O)[C@H](C)[NH2+]Cc1ccc(OC)cc1 ZINC000020364369 171163227 /nfs/dbraw/zinc/16/32/27/171163227.db2.gz ZNVGMLPQMHVXHM-LBPRGKRZSA-N 1 0 278.396 2.478 10 0 CEAERO Nc1cc(Cl)ccc1N[C@@H]1C[NH+]2CCC1CC2 ZINC000020383840 171173614 /nfs/dbraw/zinc/17/36/14/171173614.db2.gz GRYCEZVWCBPYIC-CYBMUJFWSA-N 1 0 251.761 2.428 10 0 CEAERO CCN(CC)C(=O)[C@H](C)Oc1cccc([C@@H](C)[NH3+])c1 ZINC000020419715 171185315 /nfs/dbraw/zinc/18/53/15/171185315.db2.gz UBUHQTHUEUUCLX-NEPJUHHUSA-N 1 0 264.369 2.342 10 0 CEAERO C[C@H]([NH3+])c1cccc(O[C@@H](C)C(=O)N2CCCCC2)c1 ZINC000020419711 171185346 /nfs/dbraw/zinc/18/53/46/171185346.db2.gz IFRDZINXYKIKOT-STQMWFEESA-N 1 0 276.380 2.486 10 0 CEAERO Cc1ccc(F)c(NC(=O)[C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000020471999 171214752 /nfs/dbraw/zinc/21/47/52/171214752.db2.gz AKGKZUPIJCLMKU-QWRGUYRKSA-N 1 0 250.317 2.461 10 0 CEAERO COC(=O)[C@@H]1C[N@H+](C)CC[C@H]1c1ccc(F)cc1 ZINC000022008990 171348653 /nfs/dbraw/zinc/34/86/53/171348653.db2.gz NTYATEQGMUSJQM-QWHCGFSZSA-N 1 0 251.301 2.034 10 0 CEAERO CCOc1cc2c(cc1C[NH2+]CCN(C)C)O[C@H](C)C2 ZINC000022141144 171355136 /nfs/dbraw/zinc/35/51/36/171355136.db2.gz ZPGWZMGDYSJENI-GFCCVEGCSA-N 1 0 278.396 2.060 10 0 CEAERO C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(F)cc2N)C1 ZINC000022151268 171358575 /nfs/dbraw/zinc/35/85/75/171358575.db2.gz VBFWHJYHGVUGCK-SNVBAGLBSA-N 1 0 265.332 2.078 10 0 CEAERO Nc1ccc(NC(=O)CC[NH+]2CCCC2)c(Cl)c1 ZINC000022151946 171359118 /nfs/dbraw/zinc/35/91/18/171359118.db2.gz JKLXZERCVJJTLO-UHFFFAOYSA-N 1 0 267.760 2.347 10 0 CEAERO Nc1cc(NC(=O)CC[NH+]2CCCC2)ccc1Cl ZINC000022154896 171361596 /nfs/dbraw/zinc/36/15/96/171361596.db2.gz SJCYWIOLXXKHLG-UHFFFAOYSA-N 1 0 267.760 2.347 10 0 CEAERO COc1cccc(OC)c1Oc1cc(C[NH3+])ccn1 ZINC000022163516 171364552 /nfs/dbraw/zinc/36/45/52/171364552.db2.gz FWVSQMNSMCUWBM-UHFFFAOYSA-N 1 0 260.293 2.350 10 0 CEAERO C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000022163036 171364605 /nfs/dbraw/zinc/36/46/05/171364605.db2.gz RXOHXYNRGHWVIZ-FZMZJTMJSA-N 1 0 282.409 2.002 10 0 CEAERO C[C@@H]1CN([C@@H](C[NH3+])c2ccccc2C(F)(F)F)CCO1 ZINC000022173432 171369277 /nfs/dbraw/zinc/36/92/77/171369277.db2.gz MXXUHXGTUWARBL-MFKMUULPSA-N 1 0 288.313 2.426 10 0 CEAERO CCN(CC)[C@@H](C[NH3+])c1cnn(-c2ccccc2)c1 ZINC000022174851 171369778 /nfs/dbraw/zinc/36/97/78/171369778.db2.gz SVGYCLZPSWRHTR-HNNXBMFYSA-N 1 0 258.369 2.214 10 0 CEAERO CC(C)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1N ZINC000022211495 171373409 /nfs/dbraw/zinc/37/34/09/171373409.db2.gz DDZTVJKUGBUWTI-UHFFFAOYSA-N 1 0 255.749 2.201 10 0 CEAERO COc1cc(OC)c([C@H](C[NH3+])N(C)C(C)C)cc1OC ZINC000022211196 171373464 /nfs/dbraw/zinc/37/34/64/171373464.db2.gz CYKNJGLKRZPCNM-LBPRGKRZSA-N 1 0 282.384 2.052 10 0 CEAERO CN(C1CCCCC1)S(=O)(=O)c1cccc(C[NH3+])c1 ZINC000022218740 171376676 /nfs/dbraw/zinc/37/66/76/171376676.db2.gz OYDSFXVYZHKEOW-UHFFFAOYSA-N 1 0 282.409 2.099 10 0 CEAERO [NH3+][C@@H](CN1CCOCC1)c1ccc2ccccc2c1 ZINC000022563541 171390957 /nfs/dbraw/zinc/39/09/57/171390957.db2.gz XUKYDJKOHHJDSZ-INIZCTEOSA-N 1 0 256.349 2.172 10 0 CEAERO CC(C)(C)c1ccc([C@H]([NH3+])CN2CCOCC2)cc1 ZINC000022565750 171392113 /nfs/dbraw/zinc/39/21/13/171392113.db2.gz CUTMVRQOBXMPTM-OAHLLOKOSA-N 1 0 262.397 2.316 10 0 CEAERO Cc1cccc(OCc2nnc(SCC[NH3+])o2)c1 ZINC000032113933 171707318 /nfs/dbraw/zinc/70/73/18/171707318.db2.gz KRDGEMHOTSUXSR-UHFFFAOYSA-N 1 0 265.338 2.008 10 0 CEAERO Cn1c(/C=C/c2ccccc2)nnc1SCCC[NH3+] ZINC000032121042 171712070 /nfs/dbraw/zinc/71/20/70/171712070.db2.gz PMHBQYMIBGABQJ-CMDGGOBGSA-N 1 0 274.393 2.426 10 0 CEAERO C[NH+](C)CC(C)(C)CNCC(=O)Nc1c(F)cccc1F ZINC000035159887 172017897 /nfs/dbraw/zinc/01/78/97/172017897.db2.gz BPVMPKLPSOOBTG-UHFFFAOYSA-N 1 0 299.365 2.081 10 0 CEAERO Cc1ccc(Cl)cc1NC(=O)CNC1CC[NH+](C)CC1 ZINC000035174383 172027818 /nfs/dbraw/zinc/02/78/18/172027818.db2.gz WVJITQISCJQMAX-UHFFFAOYSA-N 1 0 295.814 2.271 10 0 CEAERO COC(=O)c1cc(C[NH2+][C@H](C)[C@@H]2CCCO2)oc1C ZINC000035273869 172094476 /nfs/dbraw/zinc/09/44/76/172094476.db2.gz XEKFTMGGTZHHSF-RNCFNFMXSA-N 1 0 267.325 2.032 10 0 CEAERO C[C@@H](Oc1c2ccccc2ccc1[C@H](C)[NH3+])C(N)=O ZINC000035427257 172194791 /nfs/dbraw/zinc/19/47/91/172194791.db2.gz PQENBEDAGNGBHA-VHSXEESVSA-N 1 0 258.321 2.112 10 0 CEAERO CCN(C)c1nc2sccn2c1C[NH2+]C(C)C ZINC000035430056 172197931 /nfs/dbraw/zinc/19/79/31/172197931.db2.gz QBHPCLPOYVTQME-UHFFFAOYSA-N 1 0 252.387 2.350 10 0 CEAERO CC[C@@H](C)NS(=O)(=O)c1ccc([C@H](C)[NH2+]C)cc1 ZINC000035632867 172315600 /nfs/dbraw/zinc/31/56/00/172315600.db2.gz BLPQAQXKAJYCNM-MNOVXSKESA-N 1 0 270.398 2.044 10 0 CEAERO Cc1nnc(N(CCC[NH3+])C2CC2)c2ccccc12 ZINC000035663654 172342411 /nfs/dbraw/zinc/34/24/11/172342411.db2.gz OWQXWQWYEDZTBE-UHFFFAOYSA-N 1 0 256.353 2.256 10 0 CEAERO [NH3+][C@H]1CC(=O)N(CCc2ccc(Cl)cc2Cl)C1 ZINC000035679807 172350287 /nfs/dbraw/zinc/35/02/87/172350287.db2.gz YZWXYNBPWFIHFS-JTQLQIEISA-N 1 0 273.163 2.096 10 0 CEAERO [NH3+][C@@H]1CC(=O)N(c2c(Cl)cccc2C(F)(F)F)C1 ZINC000035679896 172350772 /nfs/dbraw/zinc/35/07/72/172350772.db2.gz IIZFUQWCIIVQLC-ZCFIWIBFSA-N 1 0 278.661 2.423 10 0 CEAERO C[C@@H](NC(=O)c1cccc(F)c1)[C@@H]1CCCC[NH2+]1 ZINC000035690754 172359289 /nfs/dbraw/zinc/35/92/89/172359289.db2.gz OMPWWOVTCIQZKK-MFKMUULPSA-N 1 0 250.317 2.086 10 0 CEAERO C[C@@H]([NH2+]CC(=O)Nc1cccc(Cl)c1)[C@H]1CCCO1 ZINC000035735818 172388315 /nfs/dbraw/zinc/38/83/15/172388315.db2.gz QFQFPHFETRRDHJ-ZWNOBZJWSA-N 1 0 282.771 2.436 10 0 CEAERO CCC[NH2+][C@@H]1c2ccccc2S(=O)(=O)C[C@@H]1C ZINC000035760562 172398599 /nfs/dbraw/zinc/39/85/99/172398599.db2.gz ISKFIMWZJJOQOG-GWCFXTLKSA-N 1 0 253.367 2.151 10 0 CEAERO CCOC(=O)[C@H](C)Oc1ccc(C[NH2+]C)cc1OCC ZINC000036611767 172640552 /nfs/dbraw/zinc/64/05/52/172640552.db2.gz VUZBSEQURXAXCD-NSHDSACASA-N 1 0 281.352 2.135 10 0 CEAERO [NH3+]CCCN(C[C@H]1CCCO1)c1cccc(F)c1 ZINC000036730807 172662250 /nfs/dbraw/zinc/66/22/50/172662250.db2.gz HBXUKDXRLHRSIM-CQSZACIVSA-N 1 0 252.333 2.160 10 0 CEAERO CCCN(CCC[NH3+])C(=O)c1ccc(C)c(F)c1 ZINC000036731271 172662803 /nfs/dbraw/zinc/66/28/03/172662803.db2.gz ATRYROUKWLEFCC-UHFFFAOYSA-N 1 0 252.333 2.335 10 0 CEAERO CCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000036959855 172829169 /nfs/dbraw/zinc/82/91/69/172829169.db2.gz SCQJHLWUZMZZBM-VXGBXAGGSA-N 1 0 294.395 2.269 10 0 CEAERO CC[C@@H](NC(=O)[C@H]1CCC[NH2+]C1)c1ccc(OC)cc1 ZINC000037030119 172896182 /nfs/dbraw/zinc/89/61/82/172896182.db2.gz HUAJMIMSKKEIAX-DZGCQCFKSA-N 1 0 276.380 2.262 10 0 CEAERO C[C@@H]1CCSCC[N@@H+]1C[C@@H](O)COCc1ccccc1 ZINC000285599606 196339403 /nfs/dbraw/zinc/33/94/03/196339403.db2.gz BVVGOQQOYCHKBB-GDBMZVCRSA-N 1 0 295.448 2.392 10 0 CEAERO Cc1cn2c(C[NH2+][C@H]3CCC[C@H](O)C3)c(C)nc2s1 ZINC000037166155 173000463 /nfs/dbraw/zinc/00/04/63/173000463.db2.gz WSFAAWRERSOHJZ-RYUDHWBXSA-N 1 0 279.409 2.406 10 0 CEAERO C[N@H+](CCOc1cccc(N)c1)[C@@H]1CCSC1 ZINC000037174106 173008721 /nfs/dbraw/zinc/00/87/21/173008721.db2.gz LNEPJMKKQZVGBZ-GFCCVEGCSA-N 1 0 252.383 2.085 10 0 CEAERO COc1cccc([C@H](C[NH3+])N(C)[C@@H]2CCSC2)c1 ZINC000037174502 173008995 /nfs/dbraw/zinc/00/89/95/173008995.db2.gz HTMGRMKLGZCIQO-OCCSQVGLSA-N 1 0 266.410 2.132 10 0 CEAERO C[N@H+](CCC(=O)Nc1ccccc1N)[C@H]1CCSC1 ZINC000037174209 173009162 /nfs/dbraw/zinc/00/91/62/173009162.db2.gz UIVBTIGAESOSMP-NSHDSACASA-N 1 0 279.409 2.035 10 0 CEAERO CNC(=O)c1ccc(C[NH2+][C@@H]2C[C@H]3CC=C[C@@H]32)cc1 ZINC000037216716 173036148 /nfs/dbraw/zinc/03/61/48/173036148.db2.gz ANJFLLCOMDVZJG-QLFBSQMISA-N 1 0 256.349 2.100 10 0 CEAERO COC(=O)c1ccccc1C[NH2+]CCCOC(C)C ZINC000037239584 173056338 /nfs/dbraw/zinc/05/63/38/173056338.db2.gz LVEKVGVXOLVMDF-UHFFFAOYSA-N 1 0 265.353 2.378 10 0 CEAERO CCOc1ccc(OCC)c(N2CC[C@@H]([NH3+])C2)c1 ZINC000037240943 173056570 /nfs/dbraw/zinc/05/65/70/173056570.db2.gz JOGZHBWOAQSEML-LLVKDONJSA-N 1 0 250.342 2.021 10 0 CEAERO C[NH2+][C@H]1CCN(c2ccccc2OC(F)(F)F)C1 ZINC000037241272 173057857 /nfs/dbraw/zinc/05/78/57/173057857.db2.gz AAAHQSVMHLJVGD-VIFPVBQESA-N 1 0 260.259 2.383 10 0 CEAERO CC(C)C[C@H](C)NC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000037265157 173074253 /nfs/dbraw/zinc/07/42/53/173074253.db2.gz VLHHNGGDSVGCDP-XDQVBPFNSA-N 1 0 252.402 2.458 10 0 CEAERO O=C1NCCCC[C@@H]1[NH2+][C@@H]1CSCc2ccccc21 ZINC000037282915 173089747 /nfs/dbraw/zinc/08/97/47/173089747.db2.gz UEJCMKDDOSCZHI-UONOGXRCSA-N 1 0 276.405 2.233 10 0 CEAERO COC(=O)C[C@@H]([NH3+])c1c(OC)ccc2ccccc21 ZINC000037290029 173095805 /nfs/dbraw/zinc/09/58/05/173095805.db2.gz PTZQNDQLPQTMOF-GFCCVEGCSA-N 1 0 259.305 2.411 10 0 CEAERO CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1scnc1C ZINC000037315828 173116450 /nfs/dbraw/zinc/11/64/50/173116450.db2.gz JCMKMPCUSZTCTJ-WDEREUQCSA-N 1 0 269.414 2.359 10 0 CEAERO Cc1ccc(C(=O)CN2CCC([NH+](C)C)CC2)s1 ZINC000037339791 173141084 /nfs/dbraw/zinc/14/10/84/173141084.db2.gz MHKQGCAKBNUGCQ-UHFFFAOYSA-N 1 0 266.410 2.265 10 0 CEAERO C[NH2+]C[C@@H](O)COc1ccc(Cl)c2ccccc12 ZINC000037364336 173154122 /nfs/dbraw/zinc/15/41/22/173154122.db2.gz UTRAIPVQUHDDTR-SNVBAGLBSA-N 1 0 265.740 2.452 10 0 CEAERO CCC[NH2+]C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000037370686 173160209 /nfs/dbraw/zinc/16/02/09/173160209.db2.gz AKTAFTQAEIFUEI-GOEBONIOSA-N 1 0 263.381 2.441 10 0 CEAERO Cc1ccccc1CN(C)C(=O)C[NH2+]C1CCCC1 ZINC000037386790 173169410 /nfs/dbraw/zinc/16/94/10/173169410.db2.gz INJZWASQYFNYCN-UHFFFAOYSA-N 1 0 260.381 2.486 10 0 CEAERO COC(=O)c1ccc(Cl)c(NC(=O)C[NH2+]C(C)C)c1 ZINC000037388727 173172338 /nfs/dbraw/zinc/17/23/38/173172338.db2.gz XIZLBWWGSRJIJE-UHFFFAOYSA-N 1 0 284.743 2.063 10 0 CEAERO COC(=O)CCC[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000037416876 173194331 /nfs/dbraw/zinc/19/43/31/173194331.db2.gz QJZXEMJAIOIEJX-NSHDSACASA-N 1 0 279.336 2.062 10 0 CEAERO CCCn1c2ccc(Cl)cc2nc1[C@@H]([NH3+])[C@@H](C)O ZINC000037440557 173210102 /nfs/dbraw/zinc/21/01/02/173210102.db2.gz YJCSHWIPJOCJLZ-PELKAZGASA-N 1 0 267.760 2.480 10 0 CEAERO [NH3+][C@H](Cc1c[nH]cn1)c1nc2c(cccc2Cl)[nH]1 ZINC000037443775 173212440 /nfs/dbraw/zinc/21/24/40/173212440.db2.gz DNVTZCFPYOLGLB-SECBINFHSA-N 1 0 261.716 2.182 10 0 CEAERO COc1ccc(NC(=O)C[NH2+]Cc2cccs2)cc1 ZINC000037466988 173226797 /nfs/dbraw/zinc/22/67/97/173226797.db2.gz NJZFSHKOBOHWCO-UHFFFAOYSA-N 1 0 276.361 2.485 10 0 CEAERO CCN(C(=O)c1cc(C)oc1C)C1CC[NH2+]CC1 ZINC000037537397 173256897 /nfs/dbraw/zinc/25/68/97/173256897.db2.gz ARKOYQDZOSCATQ-UHFFFAOYSA-N 1 0 250.342 2.111 10 0 CEAERO CCCN(C(=O)[C@@H]1C[C@H]2CC[C@@H]1C2)C1CC[NH2+]CC1 ZINC000037537541 173256979 /nfs/dbraw/zinc/25/69/79/173256979.db2.gz QTNMRBHMUPWMLA-GZBFAFLISA-N 1 0 264.413 2.413 10 0 CEAERO CCN(C(=O)C12CC3CC(CC(C3)C1)C2)[C@@H]1CC[NH2+]C1 ZINC000037539921 173261585 /nfs/dbraw/zinc/26/15/85/173261585.db2.gz WISMMLFVDVZHRC-UZZMVUAXSA-N 1 0 276.424 2.413 10 0 CEAERO CCCN(C(=O)NC1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000037541787 173263654 /nfs/dbraw/zinc/26/36/54/173263654.db2.gz PAHQTCCGTVQGIQ-CQSZACIVSA-N 1 0 267.417 2.493 10 0 CEAERO [NH3+][C@H](CCc1nnc2ccccn21)c1ccccc1 ZINC000037605108 173553659 /nfs/dbraw/zinc/55/36/59/173553659.db2.gz IRMCLNYXWGYLNU-CYBMUJFWSA-N 1 0 252.321 2.362 10 0 CEAERO CC[C@H]([NH3+])Cc1cc(OC)ccc1OCCCOC ZINC000037754288 173677889 /nfs/dbraw/zinc/67/78/89/173677889.db2.gz BYWNJBHSHXYIEC-ZDUSSCGKSA-N 1 0 267.369 2.390 10 0 CEAERO C[NH2+]CCCC(=O)N(CC(C)C)CC(F)(F)F ZINC000037813306 173760062 /nfs/dbraw/zinc/76/00/62/173760062.db2.gz GMDJTOQRPNAGAV-UHFFFAOYSA-N 1 0 254.296 2.033 10 0 CEAERO C[C@H]([NH2+]C[C@@H]1Cc2ccccc2O1)C(=O)NC1CCCC1 ZINC000038009888 173975826 /nfs/dbraw/zinc/97/58/26/173975826.db2.gz YLBNRXUGWPCMMV-WFASDCNBSA-N 1 0 288.391 2.027 10 0 CEAERO Cc1ccc(O)c(C(=O)N(CC[NH3+])Cc2ccccc2)c1 ZINC000038033052 174029535 /nfs/dbraw/zinc/02/95/35/174029535.db2.gz CRHBUKFIXZDULT-UHFFFAOYSA-N 1 0 284.359 2.302 10 0 CEAERO [NH3+]CCN(Cc1ccccc1)C(=O)Cc1ccccc1F ZINC000038033025 174029956 /nfs/dbraw/zinc/02/99/56/174029956.db2.gz NEJVQCZGISFQMN-UHFFFAOYSA-N 1 0 286.350 2.356 10 0 CEAERO Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCCOC2)c(C)c1 ZINC000038045446 174053773 /nfs/dbraw/zinc/05/37/73/174053773.db2.gz AJIJVQZWWSUPGR-HZPDHXFCSA-N 1 0 293.407 2.059 10 0 CEAERO COc1ccc(C)cc1[C@H](O)C[NH2+]C[C@H]1CCCOC1 ZINC000038045550 174053947 /nfs/dbraw/zinc/05/39/47/174053947.db2.gz BQWWACVILATBMC-UKRRQHHQSA-N 1 0 279.380 2.053 10 0 CEAERO CCn1c(C[NH2+]CCCC(=O)OC)nc2ccccc21 ZINC000038046848 174055702 /nfs/dbraw/zinc/05/57/02/174055702.db2.gz NGXWBEUQNYIOGE-UHFFFAOYSA-N 1 0 275.352 2.099 10 0 CEAERO CCn1cc(Cl)cc1C(=O)N[C@H]1CCCC[C@@H]1[NH3+] ZINC000038048525 174059202 /nfs/dbraw/zinc/05/92/02/174059202.db2.gz OOYNYMWKBLVKAV-QWRGUYRKSA-N 1 0 269.776 2.161 10 0 CEAERO CCS(=O)(=O)c1ccc(N[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000038050829 174062134 /nfs/dbraw/zinc/06/21/34/174062134.db2.gz MEYOHTYNWQIXBV-KGLIPLIRSA-N 1 0 282.409 2.162 10 0 CEAERO CC[C@@H](C)[NH2+][C@]1(C(N)=O)CCCCc2ccccc21 ZINC000038065340 174075951 /nfs/dbraw/zinc/07/59/51/174075951.db2.gz VEASFQJGCJOAAP-MLGOLLRUSA-N 1 0 260.381 2.482 10 0 CEAERO CC[C@@H](C)[NH2+][C@H](C(N)=O)c1ccc(OC(F)F)cc1 ZINC000038065270 174076183 /nfs/dbraw/zinc/07/61/83/174076183.db2.gz RDMSQJKHGTWRIA-KCJUWKMLSA-N 1 0 272.295 2.203 10 0 CEAERO C[NH2+]Cc1cc(OC)c(OC)cc1-c1cccnc1 ZINC000038069945 174081034 /nfs/dbraw/zinc/08/10/34/174081034.db2.gz TVTROXHEXOJYIT-UHFFFAOYSA-N 1 0 258.321 2.485 10 0 CEAERO CC[NH2+][C@@H](C[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000038085301 174095924 /nfs/dbraw/zinc/09/59/24/174095924.db2.gz UEHLKEMALDKZCB-OCCSQVGLSA-N 1 0 267.394 2.162 10 0 CEAERO COc1ccc(Br)cc1[C@H](CO)[NH2+]C(C)C ZINC000038115819 174125986 /nfs/dbraw/zinc/12/59/86/174125986.db2.gz JAZILRXJDVQASJ-NSHDSACASA-N 1 0 288.185 2.489 10 0 CEAERO O[C@@H](c1ccccc1)[C@@H](c1ccccc1)N1CC[NH2+]CC1 ZINC000039239009 174166703 /nfs/dbraw/zinc/16/67/03/174166703.db2.gz UTRKQWAYSWPSIE-MSOLQXFVSA-N 1 0 282.387 2.367 10 0 CEAERO C[NH2+]C[C@@H](c1cccc(OC)c1OC)N1CCCC1 ZINC000039795627 174172999 /nfs/dbraw/zinc/17/29/99/174172999.db2.gz IPWJZFVJFKDFCN-ZDUSSCGKSA-N 1 0 264.369 2.060 10 0 CEAERO CC[NH+](CC)CCCn1c2ccccc2nc1CO ZINC000040389553 174252261 /nfs/dbraw/zinc/25/22/61/174252261.db2.gz UASKIMUJWXKLTF-UHFFFAOYSA-N 1 0 261.369 2.261 10 0 CEAERO CC(C)CN(CC(F)(F)F)C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000040467915 174276289 /nfs/dbraw/zinc/27/62/89/174276289.db2.gz CHODTYYLXGZBBG-SECBINFHSA-N 1 0 268.323 2.407 10 0 CEAERO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC[C@H]1c1cc(C)no1 ZINC000040490668 174291931 /nfs/dbraw/zinc/29/19/31/174291931.db2.gz BBNTZLHLGKGKKT-CDMKHQONSA-N 1 0 265.357 2.020 10 0 CEAERO CSCC[C@H]([NH3+])C(=O)N(Cc1ccsc1)C1CC1 ZINC000040492113 174292813 /nfs/dbraw/zinc/29/28/13/174292813.db2.gz SSHDMZIRGXORGS-LBPRGKRZSA-N 1 0 284.450 2.320 10 0 CEAERO CC(C)(C)C[NH2+]C[C@@H](O)COc1ccccc1F ZINC000040493510 174293496 /nfs/dbraw/zinc/29/34/96/174293496.db2.gz OPTCXCKGYKOZKK-LLVKDONJSA-N 1 0 255.333 2.201 10 0 CEAERO O[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1-n1cccn1 ZINC000040495630 174294291 /nfs/dbraw/zinc/29/42/91/174294291.db2.gz RXYOPYKMMMSBNO-GDBMZVCRSA-N 1 0 271.364 2.265 10 0 CEAERO CCN(CC)CC[NH2+]Cc1ccccc1-n1cccn1 ZINC000040495666 174294331 /nfs/dbraw/zinc/29/43/31/174294331.db2.gz FLYYQAFZEPTNBW-UHFFFAOYSA-N 1 0 272.396 2.304 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)c2cc3cc(N)ccc3o2)C1 ZINC000040501768 174298469 /nfs/dbraw/zinc/29/84/69/174298469.db2.gz DREYDEMPPHDSBV-ZDUSSCGKSA-N 1 0 287.363 2.229 10 0 CEAERO Cc1cc(C)c(C[NH3+])c(OC[C@H]2CCCCO2)n1 ZINC000040509653 174304272 /nfs/dbraw/zinc/30/42/72/174304272.db2.gz UZHMYOZNKHJYEF-GFCCVEGCSA-N 1 0 250.342 2.105 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000040630171 174357707 /nfs/dbraw/zinc/35/77/07/174357707.db2.gz OXEYEQPNKPRULC-QWRGUYRKSA-N 1 0 288.269 2.021 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000040630283 174357932 /nfs/dbraw/zinc/35/79/32/174357932.db2.gz SZVGOPNOSPEPJS-LDYMZIIASA-N 1 0 289.162 2.309 10 0 CEAERO CO[C@H]1C[NH2+][C@H](C(=O)N(CCC(C)C)CCC(C)C)C1 ZINC000040635069 174360855 /nfs/dbraw/zinc/36/08/55/174360855.db2.gz FNDCHVODTWKEGF-CABCVRRESA-N 1 0 284.444 2.284 10 0 CEAERO CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000040635366 174361092 /nfs/dbraw/zinc/36/10/92/174361092.db2.gz DBRUFNDEXZAVFT-ZIAGYGMSSA-N 1 0 296.798 2.065 10 0 CEAERO CO[C@@H]1C[NH2+][C@@H](c2nc(-c3ccc(C)s3)c[nH]2)C1 ZINC000040637792 174361939 /nfs/dbraw/zinc/36/19/39/174361939.db2.gz GAISLGUOGJXHNQ-VHSXEESVSA-N 1 0 263.366 2.496 10 0 CEAERO COc1ccc(C[C@H](C)[NH2+]CCc2nccn2C)cc1 ZINC000040639063 174362874 /nfs/dbraw/zinc/36/28/74/174362874.db2.gz FURWPRIGMHUVEZ-ZDUSSCGKSA-N 1 0 273.380 2.192 10 0 CEAERO COc1ccc([C@H](C)[NH2+]CCc2nccn2C)cc1 ZINC000040638713 174362928 /nfs/dbraw/zinc/36/29/28/174362928.db2.gz HAJIVELLSQETDP-LBPRGKRZSA-N 1 0 259.353 2.322 10 0 CEAERO CCOC(=O)CC[NH2+]C[C@]1(N(C)C)CCC[C@H](C)C1 ZINC000040669577 174368075 /nfs/dbraw/zinc/36/80/75/174368075.db2.gz ONHRTZUPIYHNPH-ZFWWWQNUSA-N 1 0 270.417 2.040 10 0 CEAERO COc1cc([C@H](C)[NH2+][C@H]2CCCN(C)C2)ccc1O ZINC000040672153 174370036 /nfs/dbraw/zinc/37/00/36/174370036.db2.gz FVBFYQZIJNXGAW-AAEUAGOBSA-N 1 0 264.369 2.146 10 0 CEAERO CCOC1CC[NH+]([C@@]2(CN)CCCC[C@@H]2C)CC1 ZINC000040678809 174374644 /nfs/dbraw/zinc/37/46/44/174374644.db2.gz YVWOOCLIXHANFR-DZGCQCFKSA-N 1 0 254.418 2.395 10 0 CEAERO CCOC1CCN([C@@H](C[NH3+])c2cccc(F)c2)CC1 ZINC000040689119 174375616 /nfs/dbraw/zinc/37/56/16/174375616.db2.gz NSALXTMKUJBRBH-HNNXBMFYSA-N 1 0 266.360 2.326 10 0 CEAERO CCOC1CCN(C[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000040690174 174377066 /nfs/dbraw/zinc/37/70/66/174377066.db2.gz ZCDINIOIMDPGKO-DZKIICNBSA-N 1 0 266.429 2.408 10 0 CEAERO C[N@@H+]1CCC[C@@H](Nc2ccc3cc(N)ccc3n2)C1 ZINC000040715787 174382736 /nfs/dbraw/zinc/38/27/36/174382736.db2.gz BFWWBUWBMFDCQQ-CYBMUJFWSA-N 1 0 256.353 2.323 10 0 CEAERO CC[NH2+]Cc1c(N2CC[C@H](C)C2)nc2ccccn21 ZINC000040723739 174386169 /nfs/dbraw/zinc/38/61/69/174386169.db2.gz TXBWXGAVSNAYHE-LBPRGKRZSA-N 1 0 258.369 2.290 10 0 CEAERO CCc1c(C)nn(-c2nc3ccccn3c2C[NH2+]C)c1C ZINC000040733516 174388803 /nfs/dbraw/zinc/38/88/03/174388803.db2.gz LVQUFYDRBMJQJL-UHFFFAOYSA-N 1 0 283.379 2.419 10 0 CEAERO CCc1nc(CN2[C@@H]3CC[C@H]2CC([NH3+])C3)cs1 ZINC000040750188 174395049 /nfs/dbraw/zinc/39/50/49/174395049.db2.gz UZPLFFPZPLYFBJ-CLYYMRHHSA-N 1 0 251.399 2.160 10 0 CEAERO Oc1ccc2c(c1)OC[C@H]2NCC[NH+]1CCCCCC1 ZINC000040767469 174398042 /nfs/dbraw/zinc/39/80/42/174398042.db2.gz YQUNDFZFVJSFCP-OAHLLOKOSA-N 1 0 276.380 2.291 10 0 CEAERO [NH3+]C1CCC(C(=O)Nc2cccc(-c3nnco3)c2)CC1 ZINC000040829181 174411377 /nfs/dbraw/zinc/41/13/77/174411377.db2.gz MJEIDYSIHDDLGN-UHFFFAOYSA-N 1 0 286.335 2.193 10 0 CEAERO Cc1ccc(CC(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1C ZINC000053140294 414750204 /nfs/dbraw/zinc/75/02/04/414750204.db2.gz ZHYPVSFQMCGRFI-XYPWUTKMSA-N 1 0 272.392 2.245 10 0 CEAERO COc1ccc([C@H](C)N[C@H]2C[NH2+]C[C@@H](C)C2)cc1OC ZINC000401793441 414753202 /nfs/dbraw/zinc/75/32/02/414753202.db2.gz DDEKQYJBSPNSRD-SGMGOOAPSA-N 1 0 278.396 2.352 10 0 CEAERO COC[C@@H]1CCCC[N@H+](C[C@@H]2CCC[C@H](O)C2)C1 ZINC000660292223 414757066 /nfs/dbraw/zinc/75/70/66/414757066.db2.gz GJLRXMBNWLLROI-KFWWJZLASA-N 1 0 255.402 2.286 10 0 CEAERO C(C[N@@H+]1CC[C@H]2OCCN[C@H]2C1)C1CCCCC1 ZINC000403995601 414770424 /nfs/dbraw/zinc/77/04/24/414770424.db2.gz KXKKQJNVXBGBRK-LSDHHAIUSA-N 1 0 252.402 2.020 10 0 CEAERO CCN(Cc1ccc(C)cc1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000662861961 414778932 /nfs/dbraw/zinc/77/89/32/414778932.db2.gz CGONOTBFMYFTEW-LSDHHAIUSA-N 1 0 260.381 2.471 10 0 CEAERO C[NH2+]Cc1ccccc1CNc1ncc(C)c(C)n1 ZINC000404543787 414786136 /nfs/dbraw/zinc/78/61/36/414786136.db2.gz ILKVXZKKOZRDMS-UHFFFAOYSA-N 1 0 256.353 2.425 10 0 CEAERO O=C1CC2(CCCC2)CC(=O)N1[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000041156957 174500492 /nfs/dbraw/zinc/50/04/92/174500492.db2.gz BEZWIRVYWXKVMC-CYBMUJFWSA-N 1 0 290.407 2.371 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@H]1CC2CCC1CC2 ZINC000400120807 414747341 /nfs/dbraw/zinc/74/73/41/414747341.db2.gz WOMNYVVSDNBFKL-RYKAKRHSSA-N 1 0 264.413 2.317 10 0 CEAERO CC[C@@H]1CN(c2nccc(C(F)(F)F)n2)CC[C@@H]1[NH3+] ZINC000122950045 414790909 /nfs/dbraw/zinc/79/09/09/414790909.db2.gz FFQOXCPZYQZLCX-BDAKNGLRSA-N 1 0 274.290 2.059 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC(C)(C1CC1)C1CC1 ZINC000662916040 414801695 /nfs/dbraw/zinc/80/16/95/414801695.db2.gz SLNMDYUFLAQFMH-GXFFZTMASA-N 1 0 250.386 2.069 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)NCc1ccc(Cl)s1 ZINC000129083706 414810470 /nfs/dbraw/zinc/81/04/70/414810470.db2.gz ZUSATHBLANIWRJ-SECBINFHSA-N 1 0 260.790 2.391 10 0 CEAERO CN(C(=O)c1cc2ccccc2o1)[C@H](C[NH3+])C(F)(F)F ZINC000662977786 414816698 /nfs/dbraw/zinc/81/66/98/414816698.db2.gz WRYHWBPLJDZAKV-LLVKDONJSA-N 1 0 286.253 2.394 10 0 CEAERO Cc1cc(C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)ccc1F ZINC000662979264 414817227 /nfs/dbraw/zinc/81/72/27/414817227.db2.gz KGAKINCNHAOXFA-JTQLQIEISA-N 1 0 278.249 2.096 10 0 CEAERO Cn1ccnc1CC[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000041663725 174595833 /nfs/dbraw/zinc/59/58/33/174595833.db2.gz GAOUMQFJYXPSPR-UHFFFAOYSA-N 1 0 281.363 2.143 10 0 CEAERO CC[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)CO1 ZINC000657298642 414842405 /nfs/dbraw/zinc/84/24/05/414842405.db2.gz WJTGKHFRIPUOIP-KWCYVHTRSA-N 1 0 297.420 2.308 10 0 CEAERO C[C@@H](O)c1cccc(NC(=O)NCC(C)(C)C[NH+](C)C)c1 ZINC000041706056 174609779 /nfs/dbraw/zinc/60/97/79/174609779.db2.gz XJQILTJICNUHQI-GFCCVEGCSA-N 1 0 293.411 2.449 10 0 CEAERO C[C@H]([NH3+])c1cccc(NC(=O)N2CCCC[C@H]2CCO)c1 ZINC000041711673 174613121 /nfs/dbraw/zinc/61/31/21/174613121.db2.gz ZUPXSYOCKNRYDZ-WFASDCNBSA-N 1 0 291.395 2.475 10 0 CEAERO C[C@@H]([NH3+])c1ccc(NC(=O)N[C@@H](C)[C@@H]2CCCO2)cc1 ZINC000041715184 174614645 /nfs/dbraw/zinc/61/46/45/174614645.db2.gz KKTDWCHZQQCTEX-SUNKGSAMSA-N 1 0 277.368 2.395 10 0 CEAERO CC(C)C[C@H]1CCN(C(=O)C2CCC([NH3+])CC2)C1 ZINC000307848882 414854685 /nfs/dbraw/zinc/85/46/85/414854685.db2.gz ZIRFUCLXWGWLRY-IYXRBSQSSA-N 1 0 252.402 2.399 10 0 CEAERO COCCNC(=O)[C@@H](C)[NH2+][C@H](c1cccs1)C(C)C ZINC000042302940 174678330 /nfs/dbraw/zinc/67/83/30/174678330.db2.gz KVONARAQKZNIIM-YPMHNXCESA-N 1 0 284.425 2.186 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)c1ccccc1 ZINC000653056185 414890765 /nfs/dbraw/zinc/89/07/65/414890765.db2.gz XMVYLPKADCUOLK-YUSALJHKSA-N 1 0 286.297 2.262 10 0 CEAERO C[C@H]1CCCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CC1 ZINC000653080635 414899162 /nfs/dbraw/zinc/89/91/62/414899162.db2.gz NSLAIJXGTMDHHP-HBNTYKKESA-N 1 0 278.318 2.033 10 0 CEAERO C[C@H]1CCC[C@@H](CNC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653078827 414899679 /nfs/dbraw/zinc/89/96/79/414899679.db2.gz KMXFEKWUUIZJMV-IRCOFANPSA-N 1 0 292.345 2.327 10 0 CEAERO CC[C@@H](C)C[C@@H](C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653091960 414903853 /nfs/dbraw/zinc/90/38/53/414903853.db2.gz OBHKNOKVXIHYFD-GWOFURMSSA-N 1 0 280.334 2.325 10 0 CEAERO CC(C)CCOc1ccc(C[NH2+][C@@H]2CCNC2=O)cc1 ZINC000657522229 414986795 /nfs/dbraw/zinc/98/67/95/414986795.db2.gz JBVKYTOCXGEZQQ-OAHLLOKOSA-N 1 0 276.380 2.090 10 0 CEAERO COCCN(c1cccc(F)c1[C@H](C)[NH3+])C1CC1 ZINC000042518536 174770544 /nfs/dbraw/zinc/77/05/44/174770544.db2.gz UVANDGRSXANAQP-JTQLQIEISA-N 1 0 252.333 2.461 10 0 CEAERO CN1C[C@H](C[NH2+]Cc2ccccc2Br)CC1=O ZINC000657694336 415050809 /nfs/dbraw/zinc/05/08/09/415050809.db2.gz KDDCVFRVBIZGKJ-JTQLQIEISA-N 1 0 297.196 2.017 10 0 CEAERO CN1C[C@H](C[NH2+]CC2CCC(C)(C)CC2)CC1=O ZINC000657698282 415053451 /nfs/dbraw/zinc/05/34/51/415053451.db2.gz UITPFFAHSOQSMR-ZDUSSCGKSA-N 1 0 252.402 2.271 10 0 CEAERO OCC1CC([NH2+]Cc2cc(Br)ccc2F)C1 ZINC000657808150 415089003 /nfs/dbraw/zinc/08/90/03/415089003.db2.gz BTDGWRCLKYVUMO-UHFFFAOYSA-N 1 0 288.160 2.449 10 0 CEAERO c1ccc2c(c1)NC[C@@H](C[NH2+]C[C@H]1CCCCO1)O2 ZINC000042825486 174888602 /nfs/dbraw/zinc/88/86/02/174888602.db2.gz GJFWMQNAXQSAMF-CHWSQXEVSA-N 1 0 262.353 2.018 10 0 CEAERO CN(Cc1cscn1)C(=O)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000042868739 174896075 /nfs/dbraw/zinc/89/60/75/174896075.db2.gz WEFMNNHKVYZHSP-KGYLQXTDSA-N 1 0 279.409 2.022 10 0 CEAERO Cc1ccc([C@H]([C@H](C)[NH3+])N2CCOC(C)(C)C2)cc1 ZINC000042908700 174908954 /nfs/dbraw/zinc/90/89/54/174908954.db2.gz GFCPEZKCFWHMSY-ZFWWWQNUSA-N 1 0 262.397 2.494 10 0 CEAERO COCc1nc(C[NH2+]C[C@]2(C)CC2(F)F)cs1 ZINC000657667028 415041926 /nfs/dbraw/zinc/04/19/26/415041926.db2.gz WUAVUYQZVSYTAU-JTQLQIEISA-N 1 0 262.325 2.424 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cccc(Cl)c1)N1CCC[C@@H]1C(N)=O ZINC000042975184 174938774 /nfs/dbraw/zinc/93/87/74/174938774.db2.gz ABEFDGVCEJDKQR-MCIONIFRSA-N 1 0 295.814 2.068 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1nncn1C)c1cccc(OC)c1 ZINC000043031995 174949220 /nfs/dbraw/zinc/94/92/20/174949220.db2.gz LJQCGTIAZZYNFJ-QWHCGFSZSA-N 1 0 292.408 2.394 10 0 CEAERO COc1ccccc1[C@H](C[NH3+])Sc1ncccn1 ZINC000043101238 174967519 /nfs/dbraw/zinc/96/75/19/174967519.db2.gz BSAQMGCWBULAIW-LBPRGKRZSA-N 1 0 261.350 2.277 10 0 CEAERO CCOC(=O)CS[C@@H](c1cccs1)[C@@H](C)[NH3+] ZINC000043114362 174975027 /nfs/dbraw/zinc/97/50/27/174975027.db2.gz TXNSOAGBLODHKM-LDYMZIIASA-N 1 0 259.396 2.433 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1cnn(C)c1)N(C)Cc1ccccc1 ZINC000043126690 174978144 /nfs/dbraw/zinc/97/81/44/174978144.db2.gz MGOYQGFATYGMCF-HOTGVXAUSA-N 1 0 272.396 2.331 10 0 CEAERO Cn1cc([C@@H](C[NH3+])Sc2ncnc3ccccc32)cn1 ZINC000043238426 174987829 /nfs/dbraw/zinc/98/78/29/174987829.db2.gz CIWRJRLXEIGBLW-CYBMUJFWSA-N 1 0 285.376 2.155 10 0 CEAERO C[C@H]([NH3+])[C@@H](Oc1cccc(S(C)(=O)=O)c1)C(C)(C)C ZINC000043297196 174998661 /nfs/dbraw/zinc/99/86/61/174998661.db2.gz BZJJLFQVXFAINP-GXFFZTMASA-N 1 0 285.409 2.231 10 0 CEAERO [NH3+][C@H](c1cccc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000043299792 175000267 /nfs/dbraw/zinc/00/02/67/175000267.db2.gz CHNRLMZKUMUGBL-WFASDCNBSA-N 1 0 275.373 2.274 10 0 CEAERO [NH3+][C@H](c1cccc(Cl)c1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000043299972 175000793 /nfs/dbraw/zinc/00/07/93/175000793.db2.gz FNYSQJWVAPTLDK-CPCISQLKSA-N 1 0 294.203 2.428 10 0 CEAERO C[NH2+][C@@H](c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000043300572 175001454 /nfs/dbraw/zinc/00/14/54/175001454.db2.gz STVPDQXMMCBIIC-JOYOIKCWSA-N 1 0 273.785 2.035 10 0 CEAERO CCCCCC[C@@H]([NH2+]CC)[C@H]1CCS(=O)(=O)C1 ZINC000043300868 175001492 /nfs/dbraw/zinc/00/14/92/175001492.db2.gz AJIUAKCMVJVXLR-QWHCGFSZSA-N 1 0 261.431 2.370 10 0 CEAERO Cc1c(F)cccc1NC[C@H](O)C[NH+]1CCCC1 ZINC000043320781 175005407 /nfs/dbraw/zinc/00/54/07/175005407.db2.gz RQHXYRCVHQPPCB-LBPRGKRZSA-N 1 0 252.333 2.003 10 0 CEAERO COc1ccc(Cl)c(NC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000043318525 175005743 /nfs/dbraw/zinc/00/57/43/175005743.db2.gz CNBQXHCZKNIZPM-JTQLQIEISA-N 1 0 254.717 2.039 10 0 CEAERO C[NH2+]Cc1ccccc1NC(=O)c1cc(OC)ccc1O ZINC000043327893 175009594 /nfs/dbraw/zinc/00/95/94/175009594.db2.gz AOPIQNMZEOYYEI-UHFFFAOYSA-N 1 0 286.331 2.373 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccco1)N1CCCSCC1 ZINC000043335651 175011372 /nfs/dbraw/zinc/01/13/72/175011372.db2.gz OKZKVGCLBMOMGF-AAEUAGOBSA-N 1 0 254.399 2.497 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1ccccn1)N(C)CCc1ccncc1 ZINC000043339595 175013564 /nfs/dbraw/zinc/01/35/64/175013564.db2.gz OCOGPYCCSCFSEF-BBRMVZONSA-N 1 0 270.380 2.039 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccccn1)N1CCCSCC1 ZINC000043339908 175013651 /nfs/dbraw/zinc/01/36/51/175013651.db2.gz YLOLGGOAQXNEJZ-TZMCWYRMSA-N 1 0 265.426 2.299 10 0 CEAERO CCN(CC(F)(F)F)[C@H](c1ccccn1)[C@@H](C)[NH3+] ZINC000043341130 175015011 /nfs/dbraw/zinc/01/50/11/175015011.db2.gz AJDDYBSQHYBIMU-KOLCDFICSA-N 1 0 261.291 2.354 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1nc(C)cc(=O)[nH]1)c1ccccn1 ZINC000043344608 175016429 /nfs/dbraw/zinc/01/64/29/175016429.db2.gz YDUKGVYKLPNJFW-ZWNOBZJWSA-N 1 0 290.392 2.044 10 0 CEAERO CCCO[C@@H]1CCCN([C@@H](c2cccnc2)[C@@H](C)[NH3+])C1 ZINC000043348062 175017739 /nfs/dbraw/zinc/01/77/39/175017739.db2.gz WRLGGLOXGBPYJO-FVQBIDKESA-N 1 0 277.412 2.361 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1cccnc1)N(C)Cc1cscn1 ZINC000043348664 175018401 /nfs/dbraw/zinc/01/84/01/175018401.db2.gz WZYAXXYAPPKOAA-KBPBESRZSA-N 1 0 276.409 2.449 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](OC[C@@H]1CCCO1)c1cccnc1 ZINC000043350153 175019306 /nfs/dbraw/zinc/01/93/06/175019306.db2.gz YLHXWDWPZLBWBU-MJBXVCDLSA-N 1 0 250.342 2.056 10 0 CEAERO CC[C@H]([NH3+])[C@H](Oc1ccc(C(N)=O)cc1)c1cccnc1 ZINC000043350664 175019565 /nfs/dbraw/zinc/01/95/65/175019565.db2.gz NODDCEJUHOKNTO-LSDHHAIUSA-N 1 0 285.347 2.038 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1n[nH]c(C)n1)c1cccnc1 ZINC000043352836 175020046 /nfs/dbraw/zinc/02/00/46/175020046.db2.gz AYPWNQSMJRHJNV-WDEREUQCSA-N 1 0 263.370 2.079 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1n[nH]c(C)n1)c1cccnc1 ZINC000043352838 175020224 /nfs/dbraw/zinc/02/02/24/175020224.db2.gz AYPWNQSMJRHJNV-QWRGUYRKSA-N 1 0 263.370 2.079 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccncc1)N(CCOC)CC(C)C ZINC000043354390 175021157 /nfs/dbraw/zinc/02/11/57/175021157.db2.gz OYNIOHCCKLNUTQ-CVEARBPZSA-N 1 0 279.428 2.464 10 0 CEAERO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@@H]1CCNC1=O ZINC000658054602 415178206 /nfs/dbraw/zinc/17/82/06/415178206.db2.gz PTAQXOAHNNVUCH-PSASIEDQSA-N 1 0 281.425 2.288 10 0 CEAERO CC[C@@H]([NH3+])[C@H](OC[C@@H]1CCCO1)c1ccncc1 ZINC000043355616 175023010 /nfs/dbraw/zinc/02/30/10/175023010.db2.gz RFFGBZQZGVQLGL-BFHYXJOUSA-N 1 0 250.342 2.056 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1nc(C)cc(=O)[nH]1)c1ccncc1 ZINC000043363227 175024014 /nfs/dbraw/zinc/02/40/14/175024014.db2.gz YHPMETJYIBAUBZ-DGCLKSJQSA-N 1 0 290.392 2.456 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)N1CCOC[C@@H]1C ZINC000043364179 175025092 /nfs/dbraw/zinc/02/50/92/175025092.db2.gz YFYZDLWKUVLLJN-ZKYQVNSYSA-N 1 0 252.358 2.087 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)N(C)[C@@H](C)COC ZINC000043364903 175025465 /nfs/dbraw/zinc/02/54/65/175025465.db2.gz CFUHNERCZLZHKN-ZKYQVNSYSA-N 1 0 254.374 2.333 10 0 CEAERO Cc1ccc([C@H]([C@@H](C)[NH3+])N2CCOCC2(C)C)o1 ZINC000043364745 175025499 /nfs/dbraw/zinc/02/54/99/175025499.db2.gz UTISYESDOSDPOV-YPMHNXCESA-N 1 0 252.358 2.087 10 0 CEAERO Cc1ccc([C@@H]([C@@H](C)[NH3+])N2CCCSCC2)o1 ZINC000043364684 175025661 /nfs/dbraw/zinc/02/56/61/175025661.db2.gz AMWZMKNNRXRFPH-DGCLKSJQSA-N 1 0 254.399 2.415 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccc(C)o1)N(CCCOC)CCOC ZINC000043365048 175026231 /nfs/dbraw/zinc/02/62/31/175026231.db2.gz QZYWNQLVWRWZSP-GOEBONIOSA-N 1 0 298.427 2.351 10 0 CEAERO COC(=O)CCS[C@H](c1ccc(C)o1)[C@@H](C)[NH3+] ZINC000043367602 175027764 /nfs/dbraw/zinc/02/77/64/175027764.db2.gz LTCHAMFDDLIKQN-SKDRFNHKSA-N 1 0 257.355 2.273 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](N(C)Cc1ccoc1)C(F)(F)F ZINC000043378254 175030485 /nfs/dbraw/zinc/03/04/85/175030485.db2.gz FDSSSCRUWOXVNF-NXEZZACHSA-N 1 0 250.264 2.380 10 0 CEAERO CC[C@@H]([NH3+])[C@H](N(C)CC(F)(F)F)C(F)(F)F ZINC000043377876 175030531 /nfs/dbraw/zinc/03/05/31/175030531.db2.gz NAPPGADHBPWYQR-RITPCOANSA-N 1 0 252.202 2.149 10 0 CEAERO C[C@H]([NH3+])[C@H](OCc1ccc2c(c1)OCO2)C(F)(F)F ZINC000043384273 175031566 /nfs/dbraw/zinc/03/15/66/175031566.db2.gz WQFBFLZTGYXVOM-CPCISQLKSA-N 1 0 277.242 2.210 10 0 CEAERO COc1cccc(CO[C@H]([C@H](C)[NH3+])C(F)(F)F)c1 ZINC000043384467 175031705 /nfs/dbraw/zinc/03/17/05/175031705.db2.gz QWSNCHUOBVHYEJ-GZMMTYOYSA-N 1 0 263.259 2.490 10 0 CEAERO C[C@@H]([NH3+])[C@@H](Sc1nnnn1C1CCCC1)C(F)(F)F ZINC000043385795 175032265 /nfs/dbraw/zinc/03/22/65/175032265.db2.gz SBQZXYHLESXQFA-HTRCEHHLSA-N 1 0 295.334 2.158 10 0 CEAERO CCN(CCOC)[C@H](C[NH3+])c1cc(C)cc(C)c1 ZINC000043394418 175035184 /nfs/dbraw/zinc/03/51/84/175035184.db2.gz LHMKNRMERAVGII-OAHLLOKOSA-N 1 0 250.386 2.272 10 0 CEAERO CCOc1ccc2[nH]c(S[C@@H](C)C[NH3+])nc2c1 ZINC000043514615 175061747 /nfs/dbraw/zinc/06/17/47/175061747.db2.gz AMOPHHUGCWUKQA-QMMMGPOBSA-N 1 0 251.355 2.401 10 0 CEAERO C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CCNC1=O ZINC000658052856 415176093 /nfs/dbraw/zinc/17/60/93/415176093.db2.gz PPBLUXLCTJFOFQ-TZMCWYRMSA-N 1 0 260.381 2.221 10 0 CEAERO CC[NH2+][C@@H](CN1CCCC1)c1ccc2c(c1)OCCO2 ZINC000043807363 175108067 /nfs/dbraw/zinc/10/80/67/175108067.db2.gz UOIBEIPMQIIVCA-AWEZNQCLSA-N 1 0 276.380 2.204 10 0 CEAERO C[NH2+][C@H]1CCC2(C[C@H]1N(C)C1CCCCC1)OCCO2 ZINC000043815018 175111770 /nfs/dbraw/zinc/11/17/70/175111770.db2.gz KYALIEXRPOKIDZ-LSDHHAIUSA-N 1 0 282.428 2.135 10 0 CEAERO CCCCN(C)C[C@H]([NH2+]C)c1ccc2c(c1)OCCO2 ZINC000043816744 175112492 /nfs/dbraw/zinc/11/24/92/175112492.db2.gz MLHYDKJKEHMBNJ-AWEZNQCLSA-N 1 0 278.396 2.450 10 0 CEAERO CCC[NH2+][C@H](C)CN1CCc2cc(OC)c(OC)cc2C1 ZINC000043817765 175113022 /nfs/dbraw/zinc/11/30/22/175113022.db2.gz YULRSPQHCCYPTB-CYBMUJFWSA-N 1 0 292.423 2.450 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2CC[C@H]1N1CCC(OC)CC1 ZINC000043890090 175117522 /nfs/dbraw/zinc/11/75/22/175117522.db2.gz ZCQVYWYSBCUNRK-IAGOWNOFSA-N 1 0 274.408 2.373 10 0 CEAERO CC[NH2+][C@H](c1ccc(OC)cc1)[C@@H](C)N1CCOC[C@@H]1C ZINC000043891529 175118197 /nfs/dbraw/zinc/11/81/97/175118197.db2.gz WVHVANRADGSZPN-VBQJREDUSA-N 1 0 292.423 2.455 10 0 CEAERO CC[NH2+][C@H]1CCCCCC[C@@H]1N1CCOC[C@@H]1C ZINC000043891415 175118211 /nfs/dbraw/zinc/11/82/11/175118211.db2.gz ZLRFXZBZZXBIHY-KKUMJFAQSA-N 1 0 254.418 2.408 10 0 CEAERO CC[C@@H]1CN([C@@H]2CCCCCC[C@@H]2[NH2+]C)CCO1 ZINC000043892788 175118673 /nfs/dbraw/zinc/11/86/73/175118673.db2.gz AZPCZFNNLSNXAA-QLFBSQMISA-N 1 0 254.418 2.408 10 0 CEAERO C[NH2+][C@@H](CN1CCOC(C)(C)C1)c1ccc(C)cc1 ZINC000043897603 175120496 /nfs/dbraw/zinc/12/04/96/175120496.db2.gz JIOSUYSNFYJNQI-HNNXBMFYSA-N 1 0 262.397 2.366 10 0 CEAERO CC[C@@H]1CC[C@H]([NH2+]C)[C@H](N(C)C2CCOCC2)C1 ZINC000043898150 175121501 /nfs/dbraw/zinc/12/15/01/175121501.db2.gz UAWXYWJJUMKVLA-VHDGCEQUSA-N 1 0 254.418 2.264 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2C[C@H]1N(C)CCc1ccncc1 ZINC000043901914 175122010 /nfs/dbraw/zinc/12/20/10/175122010.db2.gz AMHGWGQYZVBJOQ-QZTJIDSGSA-N 1 0 281.403 2.441 10 0 CEAERO CCOC1CCN([C@H]2CCCCC[C@@H]2[NH2+]C)CC1 ZINC000043906913 175122770 /nfs/dbraw/zinc/12/27/70/175122770.db2.gz ZSYZNJLOVUBNRS-GJZGRUSLSA-N 1 0 254.418 2.408 10 0 CEAERO CCC[NH2+][C@@H]1CCC[C@H]1N(C)CCc1ccncc1 ZINC000043902252 175122861 /nfs/dbraw/zinc/12/28/61/175122861.db2.gz XPCRQQGDSMQNHV-HZPDHXFCSA-N 1 0 261.413 2.477 10 0 CEAERO C[NH2+][C@H](CN(C)CCOC)c1ccc(OC(C)C)cc1 ZINC000043915480 175124881 /nfs/dbraw/zinc/12/48/81/175124881.db2.gz FPAQJHZHPNHGCS-MRXNPFEDSA-N 1 0 280.412 2.313 10 0 CEAERO C[NH2+][C@H](c1ccc(C)cc1)[C@H](C)N(C)CCOC ZINC000043915453 175124951 /nfs/dbraw/zinc/12/49/51/175124951.db2.gz VHTZYKWLISNYGT-ZFWWWQNUSA-N 1 0 250.386 2.222 10 0 CEAERO CCC[NH2+][C@@H]1c2ccccc2OC[C@@H]1N(C)CCOC ZINC000043916480 175125481 /nfs/dbraw/zinc/12/54/81/175125481.db2.gz KNWLTGYDKZLYIJ-GOEBONIOSA-N 1 0 278.396 2.067 10 0 CEAERO CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N(C)C[C@@H]1CCCO1 ZINC000043966033 175127343 /nfs/dbraw/zinc/12/73/43/175127343.db2.gz FTZVJIFIQSVXSN-AJNGGQMLSA-N 1 0 254.418 2.264 10 0 CEAERO C[NH2+][C@H]1c2ccccc2OC[C@@H]1N(C)C[C@@H]1CCCCO1 ZINC000043966483 175127879 /nfs/dbraw/zinc/12/78/79/175127879.db2.gz YBKHZTAMBXGAPF-QRTARXTBSA-N 1 0 290.407 2.209 10 0 CEAERO C[NH2+][C@H]1c2ccccc2C[C@H]1N(C)C[C@@H]1CCCCO1 ZINC000043966421 175128197 /nfs/dbraw/zinc/12/81/97/175128197.db2.gz BYTQSLSSLOQACS-UAGQMJEPSA-N 1 0 274.408 2.373 10 0 CEAERO CCC[NH2+][C@H]1CCC[C@@H]1N(C)C[C@@H]1CCCCO1 ZINC000043966678 175128207 /nfs/dbraw/zinc/12/82/07/175128207.db2.gz YNTHSNNBFWCVER-KKUMJFAQSA-N 1 0 254.418 2.408 10 0 CEAERO CCc1ccc([C@H](CN(C)Cc2cnn(C)c2)[NH2+]C)cc1 ZINC000043967194 175128414 /nfs/dbraw/zinc/12/84/14/175128414.db2.gz PUZSPZAGURLYII-KRWDZBQOSA-N 1 0 286.423 2.375 10 0 CEAERO CCOc1ccc([C@H](CN(C)[C@@H](C)COC)[NH2+]C)cc1 ZINC000043969084 175130249 /nfs/dbraw/zinc/13/02/49/175130249.db2.gz VSLJLISSWIIBBD-BBRMVZONSA-N 1 0 280.412 2.313 10 0 CEAERO CCC[NH2+][C@H]1c2ccccc2OC[C@H]1N(C)[C@@H](C)COC ZINC000043969536 175130644 /nfs/dbraw/zinc/13/06/44/175130644.db2.gz ONJLETLKZPEUNQ-LXZKKBNFSA-N 1 0 292.423 2.455 10 0 CEAERO CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N(CCOC)C1CC1 ZINC000043969882 175131574 /nfs/dbraw/zinc/13/15/74/175131574.db2.gz AZTOKYNMIONGAP-QEJZJMRPSA-N 1 0 254.418 2.264 10 0 CEAERO CCCO[C@H]1CCCN([C@@H]2CCCC[C@@H]2[NH2+]C)C1 ZINC000043971182 175131683 /nfs/dbraw/zinc/13/16/83/175131683.db2.gz XZBGQAXXABQKSA-SOUVJXGZSA-N 1 0 254.418 2.408 10 0 CEAERO CC[NH2+][C@@H](CN(CCCOC)CCOC)c1ccccc1 ZINC000043970958 175131796 /nfs/dbraw/zinc/13/17/96/175131796.db2.gz UESLOVICTRTCAM-KRWDZBQOSA-N 1 0 294.439 2.322 10 0 CEAERO C[C@@H]([NH3+])Cc1nc(Cc2ccccc2Cl)no1 ZINC000044265632 175158000 /nfs/dbraw/zinc/15/80/00/175158000.db2.gz VWDYXVXTZKPVDF-MRVPVSSYSA-N 1 0 251.717 2.204 10 0 CEAERO CCC[NH2+]CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000044295087 175161039 /nfs/dbraw/zinc/16/10/39/175161039.db2.gz MATNSFKCNXKSMD-UHFFFAOYSA-N 1 0 260.790 2.360 10 0 CEAERO Cc1ccc(C)c(OCCN2CCCC[C@H]2C[NH3+])c1 ZINC000044557658 175202473 /nfs/dbraw/zinc/20/24/73/175202473.db2.gz QFBJZDWGGQAAKM-HNNXBMFYSA-N 1 0 262.397 2.495 10 0 CEAERO Cn1cc(COc2ccc3c(c2)CCC[C@@H]3[NH3+])cn1 ZINC000044732447 175241325 /nfs/dbraw/zinc/24/13/25/175241325.db2.gz YWJXNZZLRLLGHY-HNNXBMFYSA-N 1 0 257.337 2.335 10 0 CEAERO Oc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCN1CCOCC1 ZINC000044746894 175242775 /nfs/dbraw/zinc/24/27/75/175242775.db2.gz VTOFUDMQMHKKPG-KRWDZBQOSA-N 1 0 290.407 2.082 10 0 CEAERO C[C@H](NC(=O)C1(C[NH3+])CCCCC1)c1cccnc1 ZINC000044762624 175246809 /nfs/dbraw/zinc/24/68/09/175246809.db2.gz NPKHGVZUGJGNRS-LBPRGKRZSA-N 1 0 261.369 2.168 10 0 CEAERO COc1cccc(NC(=O)[C@H](C[NH3+])Cc2ccccc2)c1 ZINC000044793955 175254056 /nfs/dbraw/zinc/25/40/56/175254056.db2.gz WVBIPZCSKHKSHC-AWEZNQCLSA-N 1 0 284.359 2.451 10 0 CEAERO C[C@H]1CCCN(C(=O)[C@H](C[NH3+])Cc2ccccc2)C1 ZINC000044796138 175254854 /nfs/dbraw/zinc/25/48/54/175254854.db2.gz VXSPHOWKJXWXLX-ZFWWWQNUSA-N 1 0 260.381 2.063 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)N(CCCO)C(C)C ZINC000044807404 175256934 /nfs/dbraw/zinc/25/69/34/175256934.db2.gz IJSOPPFKBDNDQM-UHFFFAOYSA-N 1 0 272.433 2.151 10 0 CEAERO C[C@@H]([NH3+])c1ccc(NC(=O)NC[C@@H]2CCCOC2)cc1 ZINC000044981678 175283441 /nfs/dbraw/zinc/28/34/41/175283441.db2.gz RWLIWQFOOPJTME-NEPJUHHUSA-N 1 0 277.368 2.254 10 0 CEAERO C[C@H]([NH3+])c1cccc(NC(=O)NC[C@@H]2CCCOC2)c1 ZINC000044981668 175283710 /nfs/dbraw/zinc/28/37/10/175283710.db2.gz WOKQKUUZUQIFMK-RYUDHWBXSA-N 1 0 277.368 2.254 10 0 CEAERO CC[N@@H+]1CCC[C@@H]([C@@H](C)NCc2cc(C)no2)C1 ZINC000044986333 175284658 /nfs/dbraw/zinc/28/46/58/175284658.db2.gz NULQHDQTXCKDAA-CHWSQXEVSA-N 1 0 251.374 2.193 10 0 CEAERO C[C@H](CNCc1nccn1C(F)F)[NH+]1CCCCC1 ZINC000044993380 175286744 /nfs/dbraw/zinc/28/67/44/175286744.db2.gz XUGCJACNSSFGLB-LLVKDONJSA-N 1 0 272.343 2.242 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1cnn(C)c1)N(C)CC(C)(C)C ZINC000045065391 175299464 /nfs/dbraw/zinc/29/94/64/175299464.db2.gz OJLAPABBRLVHKT-STQMWFEESA-N 1 0 252.406 2.176 10 0 CEAERO Cc1cccc(N)c1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC000045065125 175299634 /nfs/dbraw/zinc/29/96/34/175299634.db2.gz KGINMVAJKMIPQF-UHFFFAOYSA-N 1 0 263.385 2.494 10 0 CEAERO CC[NH2+][C@H]1CCC2(C[C@H]1N(C)CC(C)(C)C)OCCO2 ZINC000045072720 175302213 /nfs/dbraw/zinc/30/22/13/175302213.db2.gz FPQYFEBVRZSDHY-UONOGXRCSA-N 1 0 284.444 2.238 10 0 CEAERO CC(C)CCNC(=O)[C@@H](C)[NH2+]CCOCCC(C)C ZINC000045106861 175308089 /nfs/dbraw/zinc/30/80/89/175308089.db2.gz WWYATYDAMTYJFB-CQSZACIVSA-N 1 0 272.433 2.190 10 0 CEAERO CC1(C)C[C@@H]1[NH2+]CC(=O)Nc1c(F)cccc1F ZINC000045119517 175312062 /nfs/dbraw/zinc/31/20/62/175312062.db2.gz UNTQTFMLMMUWIZ-JTQLQIEISA-N 1 0 254.280 2.291 10 0 CEAERO CC(C)[N@@H+]1CC[C@H](CNCc2nccn2C(F)F)C1 ZINC000045135126 175312443 /nfs/dbraw/zinc/31/24/43/175312443.db2.gz IVBNUTGENZLYDU-LLVKDONJSA-N 1 0 272.343 2.098 10 0 CEAERO CC(C)[N@@H+]1CC[C@H](CNCc2cn3ccccc3n2)C1 ZINC000045135174 175313111 /nfs/dbraw/zinc/31/31/11/175313111.db2.gz GKOXRSKGYDRKDH-CQSZACIVSA-N 1 0 272.396 2.154 10 0 CEAERO CC1(C)C[C@H]1NC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000045136601 175314116 /nfs/dbraw/zinc/31/41/16/175314116.db2.gz RSWQVFUDGVZDJU-CQSZACIVSA-N 1 0 272.392 2.223 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCCO2)c1C ZINC000045167759 175319364 /nfs/dbraw/zinc/31/93/64/175319364.db2.gz DUWWGBIPJDWSBO-GWCFXTLKSA-N 1 0 251.374 2.349 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]CCCn2ccnc2)c1C ZINC000045169211 175319763 /nfs/dbraw/zinc/31/97/63/175319763.db2.gz DXWVEDGHEDWIDL-GFCCVEGCSA-N 1 0 275.400 2.457 10 0 CEAERO COc1ccc(C[NH2+][C@H](C)c2c(C)nn(C)c2C)cn1 ZINC000045168704 175320197 /nfs/dbraw/zinc/32/01/97/175320197.db2.gz VTMJFMSRFXHGLG-SNVBAGLBSA-N 1 0 274.368 2.291 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)[NH2+][C@H](CN(C)C)C(C)C ZINC000045172438 175321445 /nfs/dbraw/zinc/32/14/45/175321445.db2.gz OSJKYENQYVRYRR-BXUZGUMPSA-N 1 0 266.433 2.274 10 0 CEAERO Cc1nn(C)c(C)c1[C@H](C)[NH2+][C@H](CO)CC(C)C ZINC000045172214 175321898 /nfs/dbraw/zinc/32/18/98/175321898.db2.gz PXYIPCUVRNPODC-GWCFXTLKSA-N 1 0 253.390 2.095 10 0 CEAERO Cc1nn(C)c(C)c1[C@H](C)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000045172122 175321902 /nfs/dbraw/zinc/32/19/02/175321902.db2.gz BXYRLEODUXWIOC-WFASDCNBSA-N 1 0 278.444 2.418 10 0 CEAERO CCN[C@@](C)(CC[N@@H+]1CCC[C@@H]1CC)C(=O)OCC ZINC000045221304 175330028 /nfs/dbraw/zinc/33/00/28/175330028.db2.gz NNTXMPHEWIGQBD-ZFWWWQNUSA-N 1 0 270.417 2.182 10 0 CEAERO CCC[NH2+][C@@](C)(CC[NH+]1CCCCCCC1)C(=O)[O-] ZINC000045223724 175331451 /nfs/dbraw/zinc/33/14/51/175331451.db2.gz BVFFEZBZDGEVRZ-HNNXBMFYSA-N 1 0 270.417 2.486 10 0 CEAERO CC[N@H+](CC[C@](C)(NC1CC1)C(N)=O)C1CCCCC1 ZINC000045224176 175332107 /nfs/dbraw/zinc/33/21/07/175332107.db2.gz VJDGYSKIORPGCN-INIZCTEOSA-N 1 0 281.444 2.027 10 0 CEAERO CCCN[C@](C[NH+]1CCCC1)(C(=O)OC)c1ccccc1 ZINC000045225709 175332924 /nfs/dbraw/zinc/33/29/24/175332924.db2.gz AFEHKKSOYZVNEI-KRWDZBQOSA-N 1 0 290.407 2.150 10 0 CEAERO COC(=O)[C@@](C[N@H+](C)C(C)C)(NC1CC1)c1ccccc1 ZINC000045229406 175333937 /nfs/dbraw/zinc/33/39/37/175333937.db2.gz GLXHGFRNBAIHBC-KRWDZBQOSA-N 1 0 290.407 2.147 10 0 CEAERO CCCC[NH+](CCCC)CC[C@](C)([NH2+]C)C(=O)[O-] ZINC000045232751 175336021 /nfs/dbraw/zinc/33/60/21/175336021.db2.gz HXQTZZVSHWHQNY-AWEZNQCLSA-N 1 0 258.406 2.341 10 0 CEAERO CCOC(=O)[C@@](C)(C[N@H+](CC)C(C)C)NC(C)C ZINC000045265548 175338349 /nfs/dbraw/zinc/33/83/49/175338349.db2.gz DRMATFXWLRWRIW-CQSZACIVSA-N 1 0 258.406 2.037 10 0 CEAERO CCOC(=O)[C@](C)(C[N@H+](CC)[C@@H](C)CC)NC(C)C ZINC000045266479 175339094 /nfs/dbraw/zinc/33/90/94/175339094.db2.gz JRJBXZHOHCIDEZ-ZFWWWQNUSA-N 1 0 272.433 2.427 10 0 CEAERO CCC[N@H+](CC[C@](C)(NC)C(=O)OCC)C(C)C ZINC000045266910 175339313 /nfs/dbraw/zinc/33/93/13/175339313.db2.gz ZAXDWVBOBAARGZ-AWEZNQCLSA-N 1 0 258.406 2.038 10 0 CEAERO CCC[N@H+](CC)CC[C@@](C)(NCC)C(=O)OCC ZINC000045267688 175339745 /nfs/dbraw/zinc/33/97/45/175339745.db2.gz JYCIZCHFBAZXBB-CQSZACIVSA-N 1 0 258.406 2.040 10 0 CEAERO CCC[N@H+](C[C@@](C)(NC(C)C)C(=O)OCC)C1CC1 ZINC000045267904 175339973 /nfs/dbraw/zinc/33/99/73/175339973.db2.gz CDLJGGOHCIYJDP-OAHLLOKOSA-N 1 0 270.417 2.181 10 0 CEAERO CCOC(=O)[C@](C)(CC[N@H+](C)C[C@@H](C)CC)NC1CC1 ZINC000045268504 175340453 /nfs/dbraw/zinc/34/04/53/175340453.db2.gz SABFEROTDRDCEY-BBRMVZONSA-N 1 0 284.444 2.428 10 0 CEAERO CCCCC[N@H+](C)CC[C@@](C)(NCC)C(=O)OC ZINC000045268231 175341096 /nfs/dbraw/zinc/34/10/96/175341096.db2.gz MADVNFHQUBPGLS-CQSZACIVSA-N 1 0 258.406 2.040 10 0 CEAERO COC(=O)[C@](C)(CC[N@H+](C)[C@@H](C)C1CC1)NC(C)C ZINC000045270357 175341325 /nfs/dbraw/zinc/34/13/25/175341325.db2.gz ZNSAJOBTLHEYDW-WFASDCNBSA-N 1 0 270.417 2.037 10 0 CEAERO CCOC(=O)[C@@](C)(C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)NC ZINC000045272068 175343473 /nfs/dbraw/zinc/34/34/73/175343473.db2.gz ZXVJVGFGOROCEY-SQWLQELKSA-N 1 0 282.428 2.040 10 0 CEAERO CCN[C@@](C)(C[N@H+](C)[C@@H](C)C(C)(C)C)C(=O)OCC ZINC000045274712 175344992 /nfs/dbraw/zinc/34/49/92/175344992.db2.gz MFYAHFAELUWLKP-WFASDCNBSA-N 1 0 272.433 2.284 10 0 CEAERO CCCCC[N@H+](C[C@](C)(NC(C)C)C(N)=O)C(C)C ZINC000045278586 175348560 /nfs/dbraw/zinc/34/85/60/175348560.db2.gz JOTYJGMVMGCQFV-HNNXBMFYSA-N 1 0 271.449 2.129 10 0 CEAERO CCCN[C@@](C)(C[N@H+](CC(C)C)C(C)C)C(=O)OC ZINC000045280697 175350928 /nfs/dbraw/zinc/35/09/28/175350928.db2.gz WLBVDRPMBMSONZ-HNNXBMFYSA-N 1 0 272.433 2.284 10 0 CEAERO COC(=O)[C@](C)(CC[N@H+](CC(C)C)C(C)C)NC1CC1 ZINC000045280789 175351394 /nfs/dbraw/zinc/35/13/94/175351394.db2.gz AOGHSACJGVGNDL-INIZCTEOSA-N 1 0 284.444 2.427 10 0 CEAERO CCN[C@@](C)(C[NH+]1CCC(CC)CC1)C(=O)OCC ZINC000045281379 175351733 /nfs/dbraw/zinc/35/17/33/175351733.db2.gz UZKIFBQKXRPQQO-HNNXBMFYSA-N 1 0 270.417 2.040 10 0 CEAERO CCCC[N@H+](CC)CCC[C@@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000045370622 175364129 /nfs/dbraw/zinc/36/41/29/175364129.db2.gz WDVFIXNSUROLNW-OAHLLOKOSA-N 1 0 270.417 2.484 10 0 CEAERO CN[C@@](C)(CCCC[NH+]1CCC(C)CC1)C(=O)OC ZINC000045374782 175365282 /nfs/dbraw/zinc/36/52/82/175365282.db2.gz GZIDBVCYNYDFFA-HNNXBMFYSA-N 1 0 270.417 2.040 10 0 CEAERO CC[NH2+][C@](C)(CCC[N@@H+]1CCCC[C@@H]1C)C(=O)[O-] ZINC000045376111 175366480 /nfs/dbraw/zinc/36/64/80/175366480.db2.gz BOKFOJAITGNEEJ-GXTWGEPZSA-N 1 0 256.390 2.094 10 0 CEAERO CCC[NH+](CCC)CCC[C@](C)(NC)C(=O)OC ZINC000045378595 175367741 /nfs/dbraw/zinc/36/77/41/175367741.db2.gz CBKTWIWCWYQIPX-AWEZNQCLSA-N 1 0 258.406 2.040 10 0 CEAERO CC[N@H+](CCC[C@](C)([NH2+]C1CC1)C(=O)[O-])CC(C)C ZINC000045381776 175369987 /nfs/dbraw/zinc/36/99/87/175369987.db2.gz VIWHKXXDFSEMQT-HNNXBMFYSA-N 1 0 270.417 2.340 10 0 CEAERO CCOC(=O)[C@](C)(CCCC[N@H+](CC)C(C)C)NC ZINC000045383644 175370665 /nfs/dbraw/zinc/37/06/65/175370665.db2.gz XCZFJCORFYHHAG-HNNXBMFYSA-N 1 0 272.433 2.428 10 0 CEAERO CCCCC[N@H+](C)CCC[C@](C)(NC)C(=O)OC ZINC000045388111 175373904 /nfs/dbraw/zinc/37/39/04/175373904.db2.gz KHEMVJROSTZEIA-AWEZNQCLSA-N 1 0 258.406 2.040 10 0 CEAERO CCN[C@@](C)(CCC[N@@H+]1CCC[C@@H](CC)C1)C(=O)OC ZINC000045393506 175376139 /nfs/dbraw/zinc/37/61/39/175376139.db2.gz QAWLMPWBXXDJDP-ZBFHGGJFSA-N 1 0 284.444 2.430 10 0 CEAERO CC[C@H](NC(=O)C[NH2+]CC1CC1)c1cccs1 ZINC000049532196 175486575 /nfs/dbraw/zinc/48/65/75/175486575.db2.gz PXMYEWSHUCYRCH-NSHDSACASA-N 1 0 252.383 2.315 10 0 CEAERO [NH3+]C1CCC(C(=O)N2CCC[C@@H](OC3CCC3)C2)CC1 ZINC000655494692 415304414 /nfs/dbraw/zinc/30/44/14/415304414.db2.gz GMRDYTDSNYPWJN-SSDMNJCBSA-N 1 0 280.412 2.064 10 0 CEAERO CC(C)C[NH2+]Cc1nnnn1[C@@H]1CCCC[C@H]1C ZINC000054745907 175563538 /nfs/dbraw/zinc/56/35/38/175563538.db2.gz UMAVPQGHDGJTBL-VXGBXAGGSA-N 1 0 251.378 2.170 10 0 CEAERO C[C@@H](C(=O)NC1CCCCC1)N(C)c1cccc(C[NH3+])c1 ZINC000061951447 175658627 /nfs/dbraw/zinc/65/86/27/175658627.db2.gz IOGAFAFNDSUHQI-ZDUSSCGKSA-N 1 0 289.423 2.419 10 0 CEAERO CCCc1ccccc1NC(=O)[C@]1(COC)CCC[NH2+]1 ZINC000659264184 415479129 /nfs/dbraw/zinc/47/91/29/415479129.db2.gz FAMQSEHWGMRUDZ-MRXNPFEDSA-N 1 0 276.380 2.346 10 0 CEAERO C[C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)C[C@@H](C)C1 ZINC000659342240 415532474 /nfs/dbraw/zinc/53/24/74/415532474.db2.gz DLCFOSXCDDHELN-HTOAHKCRSA-N 1 0 252.402 2.302 10 0 CEAERO CC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000659384176 415556098 /nfs/dbraw/zinc/55/60/98/415556098.db2.gz GYSDZOYWSNRJOQ-UPUXHGCUSA-N 1 0 290.329 2.174 10 0 CEAERO CCC[C@H]1C[C@@](CN)([N@H+](C)C[C@@H]2CCCOC2)CCO1 ZINC000070366634 175896503 /nfs/dbraw/zinc/89/65/03/175896503.db2.gz GVXYNRDUSHDJEI-JYJNAYRXSA-N 1 0 284.444 2.021 10 0 CEAERO [NH3+]CCN(C(=O)[C@@H]1COc2ccccc21)C1CCCCC1 ZINC000070393821 175908009 /nfs/dbraw/zinc/90/80/09/175908009.db2.gz HFIVVUMBNRAQSO-OAHLLOKOSA-N 1 0 288.391 2.283 10 0 CEAERO CCc1nc(NC2CC[NH2+]CC2)cc(-c2cccnc2)n1 ZINC000070451788 175939845 /nfs/dbraw/zinc/93/98/45/175939845.db2.gz WBPPVHFJWWFMJV-UHFFFAOYSA-N 1 0 283.379 2.265 10 0 CEAERO Cc1cc2c(ncnc2NC[C@H]([NH3+])C(C)C)s1 ZINC000070463631 175944264 /nfs/dbraw/zinc/94/42/64/175944264.db2.gz HBFCIOSZUBIDSV-JTQLQIEISA-N 1 0 250.371 2.395 10 0 CEAERO CCN(CC)[C@@H](C[NH2+]CCOCCOC)c1ccccc1 ZINC000070480663 175952616 /nfs/dbraw/zinc/95/26/16/175952616.db2.gz DYYCDYDHESONEQ-KRWDZBQOSA-N 1 0 294.439 2.322 10 0 CEAERO NC(=S)c1ncccc1C[NH+](CC1CC1)CC1CC1 ZINC000070505360 175959152 /nfs/dbraw/zinc/95/91/52/175959152.db2.gz MSXAGNQIEPPZSC-UHFFFAOYSA-N 1 0 275.421 2.338 10 0 CEAERO CCCN(CC(F)(F)F)C[C@@](CO)([NH2+]C1CC1)C1CC1 ZINC000070513976 175962557 /nfs/dbraw/zinc/96/25/57/175962557.db2.gz AUECDUKJFIESMY-ZDUSSCGKSA-N 1 0 294.361 2.154 10 0 CEAERO CCC[NH2+][C@@](CO)(COc1cccc(COC)c1)C1CC1 ZINC000070516529 175965619 /nfs/dbraw/zinc/96/56/19/175965619.db2.gz CSPFYVRJGHTKDN-KRWDZBQOSA-N 1 0 293.407 2.353 10 0 CEAERO OC[C@](COc1ccc(F)c(F)c1)([NH2+]C1CC1)C1CC1 ZINC000070519576 175966625 /nfs/dbraw/zinc/96/66/25/175966625.db2.gz YXLJCZUTJFFPKJ-OAHLLOKOSA-N 1 0 283.318 2.237 10 0 CEAERO [NH3+]CCc1ccccc1C(=O)Nc1ccc(O)cc1 ZINC000070541853 175977487 /nfs/dbraw/zinc/97/74/87/175977487.db2.gz IAQMFDGLJMMWOI-UHFFFAOYSA-N 1 0 256.305 2.146 10 0 CEAERO CC(C)n1cc(NC(=O)c2ccc(CC[NH3+])cc2)cn1 ZINC000070553006 175981694 /nfs/dbraw/zinc/98/16/94/175981694.db2.gz FBAGUEJPPGBJFK-UHFFFAOYSA-N 1 0 272.352 2.218 10 0 CEAERO Cc1csc(Cc2noc([C@H]3CCC[C@@H]([NH3+])C3)n2)n1 ZINC000070557795 175985723 /nfs/dbraw/zinc/98/57/23/175985723.db2.gz CGOVNJGGOKQYQZ-VHSXEESVSA-N 1 0 278.381 2.410 10 0 CEAERO COc1cc(C)c(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000070575060 175990277 /nfs/dbraw/zinc/99/02/77/175990277.db2.gz FXOYCQHWOHCQQH-NWDGAFQWSA-N 1 0 292.379 2.468 10 0 CEAERO C[NH2+]Cc1ccn(Cc2ccc(Br)cc2)n1 ZINC000070708976 176002941 /nfs/dbraw/zinc/00/29/41/176002941.db2.gz SGYFONCPOMEXPK-UHFFFAOYSA-N 1 0 280.169 2.413 10 0 CEAERO Cc1c(C[NH3+])cnn1Cc1cccc(Br)c1 ZINC000070824449 176007593 /nfs/dbraw/zinc/00/75/93/176007593.db2.gz VXGHSGONMMPAIY-UHFFFAOYSA-N 1 0 280.169 2.461 10 0 CEAERO [NH3+]C1(COc2ncc(Br)cn2)CCCCC1 ZINC000070879436 176009541 /nfs/dbraw/zinc/00/95/41/176009541.db2.gz NVLHVHMENSCTST-UHFFFAOYSA-N 1 0 286.173 2.280 10 0 CEAERO O=C(CC[NH2+]Cc1cccc2[nH]ccc21)N1CCCC1 ZINC000070938655 176013334 /nfs/dbraw/zinc/01/33/34/176013334.db2.gz WTGBBTMGRLBIJT-UHFFFAOYSA-N 1 0 271.364 2.270 10 0 CEAERO CCC[C@H](C[NH3+])N1CCN(Cc2ccc(F)cc2)CC1 ZINC000070940870 176014382 /nfs/dbraw/zinc/01/43/82/176014382.db2.gz PNXCARDSSKYEMW-MRXNPFEDSA-N 1 0 279.403 2.071 10 0 CEAERO Cc1ccc(S(=O)(=O)N(CC[NH3+])C2CCCC2)cc1C ZINC000070975360 176017922 /nfs/dbraw/zinc/01/79/22/176017922.db2.gz WPGVUJFLUGBHCB-UHFFFAOYSA-N 1 0 296.436 2.195 10 0 CEAERO Cc1ccc([C@H]2[C@@H]([NH3+])CCC(=O)N2C2CC2)cc1F ZINC000070987216 176018552 /nfs/dbraw/zinc/01/85/52/176018552.db2.gz WDXFQOKJMABDKG-ZFWWWQNUSA-N 1 0 262.328 2.287 10 0 CEAERO [NH3+][C@H]1CCC(=O)N(C2CC2)[C@H]1c1ccc(F)cc1F 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CC[NH2+][C@H]1CCCN(CCc2cc(F)cc(F)c2)C1=O ZINC000071042449 176028727 /nfs/dbraw/zinc/02/87/27/176028727.db2.gz FDPRRVBNLXAAIO-AWEZNQCLSA-N 1 0 282.334 2.108 10 0 CEAERO CC(C)[NH2+][C@H]1CCCN(CCCOc2ccccc2)C1=O ZINC000071043216 176029086 /nfs/dbraw/zinc/02/90/86/176029086.db2.gz QEAHSJWKLDCKBS-INIZCTEOSA-N 1 0 290.407 2.445 10 0 CEAERO C[NH2+][C@H]1CCCN(CC[C@@H]2CCC[C@@H](C)C2)C1=O ZINC000071044314 176029785 /nfs/dbraw/zinc/02/97/85/176029785.db2.gz CMRUJSACZKOUHP-RDBSUJKOSA-N 1 0 252.402 2.413 10 0 CEAERO c1ccc2c(c1)CCO[C@@H]2COC[C@H]1CCC[NH2+]C1 ZINC000071091876 176031902 /nfs/dbraw/zinc/03/19/02/176031902.db2.gz QFHOLTBCBGAYQD-XJKSGUPXSA-N 1 0 261.365 2.317 10 0 CEAERO CCC[N@@H+](CC(N)=S)C[C@H]1OCCc2ccccc21 ZINC000071091337 176032288 /nfs/dbraw/zinc/03/22/88/176032288.db2.gz VLJLDMQQFRZCRE-CQSZACIVSA-N 1 0 278.421 2.299 10 0 CEAERO CC[C@H]1CCC[C@@](C[NH3+])(N2CCOCC2(C)C)C1 ZINC000071123756 176035182 /nfs/dbraw/zinc/03/51/82/176035182.db2.gz RRJYBNKHNSCKHA-DZGCQCFKSA-N 1 0 254.418 2.395 10 0 CEAERO CC[C@@H]1CCC[C@@H](OC[C@]([NH2+]C2CC2)(C(N)=O)C2CC2)C1 ZINC000071134042 176035590 /nfs/dbraw/zinc/03/55/90/176035590.db2.gz UZLDSQUEGUTOCY-SRCQZFHVSA-N 1 0 294.439 2.358 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cc3ccccc3cc2O)C1 ZINC000071140090 176038342 /nfs/dbraw/zinc/03/83/42/176038342.db2.gz NMPYJWKUCIMZLY-CQSZACIVSA-N 1 0 284.359 2.322 10 0 CEAERO CCn1c(C[NH3+])nnc1S[C@H]1CCC[C@@H](C)C1 ZINC000071150271 176045048 /nfs/dbraw/zinc/04/50/48/176045048.db2.gz GHZNBTZPMVMHRT-ZJUUUORDSA-N 1 0 254.403 2.428 10 0 CEAERO CCN(C)CC[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000071170396 176051165 /nfs/dbraw/zinc/05/11/65/176051165.db2.gz AIKGNJGWCKHJDK-UHFFFAOYSA-N 1 0 262.397 2.441 10 0 CEAERO CC(C)Oc1cncc(N[C@H]2CCCCC[C@H]2[NH3+])n1 ZINC000071176213 176055038 /nfs/dbraw/zinc/05/50/38/176055038.db2.gz SDDXOKRKHQLEBB-NEPJUHHUSA-N 1 0 264.373 2.336 10 0 CEAERO CCOc1cncc(N[C@@]2(C[NH3+])CCC[C@H](C)C2)n1 ZINC000071177482 176055218 /nfs/dbraw/zinc/05/52/18/176055218.db2.gz KKTLPGWZOHSCHH-FZMZJTMJSA-N 1 0 264.373 2.195 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc(C)c(O[C@H]2CCN(C)C2=O)c(C)c1 ZINC000071184738 176059327 /nfs/dbraw/zinc/05/93/27/176059327.db2.gz LWPMNOALTKRKLU-CABCVRRESA-N 1 0 290.407 2.193 10 0 CEAERO CC[C@H]1CCC(=O)[C@@H](C[N@H+](C)C[C@@H]2CCN(C)C2)C1 ZINC000071191201 176070545 /nfs/dbraw/zinc/07/05/45/176070545.db2.gz HPQCUHCRTOFYJN-RRFJBIMHSA-N 1 0 266.429 2.265 10 0 CEAERO CC[NH2+][C@H]1CCCN(CCc2ccc3c(c2)OCCO3)C1 ZINC000071198078 176076598 /nfs/dbraw/zinc/07/65/98/176076598.db2.gz WXDCZKBZBJWKNW-HNNXBMFYSA-N 1 0 290.407 2.074 10 0 CEAERO c1cc(CN2CCC[C@@H]([NH2+]C3CC3)C2)cc2c1OCO2 ZINC000071199694 176077116 /nfs/dbraw/zinc/07/71/16/176077116.db2.gz ASOOMHVFPBRBDG-CQSZACIVSA-N 1 0 274.364 2.132 10 0 CEAERO Fc1cc(F)cc(CCN2CC[C@H]([NH2+]C3CC3)C2)c1 ZINC000071199519 176077293 /nfs/dbraw/zinc/07/72/93/176077293.db2.gz SLYLCOCKYASACA-HNNXBMFYSA-N 1 0 266.335 2.334 10 0 CEAERO CCC[NH2+][C@H]1CCCN(Cc2cnc(C)s2)C1 ZINC000071200742 176077659 /nfs/dbraw/zinc/07/76/59/176077659.db2.gz UHXNXTHHWRIUFB-LBPRGKRZSA-N 1 0 253.415 2.416 10 0 CEAERO CCOC(=O)c1ncsc1NCC(C)(C)[NH+](C)C ZINC000071201557 176078064 /nfs/dbraw/zinc/07/80/64/176078064.db2.gz KEDCIDNIWNNXHO-UHFFFAOYSA-N 1 0 271.386 2.072 10 0 CEAERO CCCC[NH2+]CCn1cc(C(F)(F)F)ccc1=O ZINC000071212144 176083925 /nfs/dbraw/zinc/08/39/25/176083925.db2.gz NIJCCLFYTUJNSN-UHFFFAOYSA-N 1 0 262.275 2.257 10 0 CEAERO Cc1ncsc1C[NH2+][C@H](C)c1c(C)nc(C)[nH]c1=O ZINC000071212976 176084919 /nfs/dbraw/zinc/08/49/19/176084919.db2.gz MKTHPCHISRTMCM-MRVPVSSYSA-N 1 0 278.381 2.002 10 0 CEAERO COCCN(CCC[NH3+])c1ncc(Cl)cc1Cl ZINC000071223861 176088342 /nfs/dbraw/zinc/08/83/42/176088342.db2.gz RNACGFUQAGBGEK-UHFFFAOYSA-N 1 0 278.183 2.190 10 0 CEAERO COCC[N@H+](CCC(N)=S)Cc1cccc(F)c1F ZINC000071225776 176088903 /nfs/dbraw/zinc/08/89/03/176088903.db2.gz VJTZQHAUEYHPLT-UHFFFAOYSA-N 1 0 288.363 2.089 10 0 CEAERO COCC[N@H+](CCC(N)=S)Cc1cc(C)ccc1OC ZINC000071225805 176089834 /nfs/dbraw/zinc/08/98/34/176089834.db2.gz RDFZOEGKDRPYFP-UHFFFAOYSA-N 1 0 296.436 2.128 10 0 CEAERO CC[N@H+](Cc1ccc(F)cc1C(N)=S)[C@H](C)COC ZINC000071266154 176100206 /nfs/dbraw/zinc/10/02/06/176100206.db2.gz ZLGCGTMFPKKXJY-SNVBAGLBSA-N 1 0 284.400 2.317 10 0 CEAERO CCOc1cc2c(cc1C[NH2+]C[C@@H](O)C1CC1)O[C@H](C)C2 ZINC000071277916 176107717 /nfs/dbraw/zinc/10/77/17/176107717.db2.gz NSYSJTIAMFZRPP-IAQYHMDHSA-N 1 0 291.391 2.269 10 0 CEAERO CCOC(=O)CCCCC[NH2+]Cc1ccccn1 ZINC000071293148 176111350 /nfs/dbraw/zinc/11/13/50/176111350.db2.gz RUBRLIMPAJXTJG-UHFFFAOYSA-N 1 0 250.342 2.295 10 0 CEAERO CCOC(=O)CCCCC[N@H+](C)[C@@H]1CCCN(C)C1 ZINC000071293389 176111860 /nfs/dbraw/zinc/11/18/60/176111860.db2.gz LTYNNDPPZPIYAO-CQSZACIVSA-N 1 0 270.417 2.136 10 0 CEAERO CCOC(=O)CCCCC[N@@H+]1CCC[C@H](C(=O)OCC)C1 ZINC000071297908 176112849 /nfs/dbraw/zinc/11/28/49/176112849.db2.gz KYHQLSFXATZJAX-AWEZNQCLSA-N 1 0 299.411 2.385 10 0 CEAERO COCc1cc([C@@H](C)[NH2+]C[C@@H](O)C2CC2)ccc1OC ZINC000071301015 176114106 /nfs/dbraw/zinc/11/41/06/176114106.db2.gz FELUSRZKGVYNIS-IAQYHMDHSA-N 1 0 279.380 2.263 10 0 CEAERO Cn1c2ccccc2nc1[C@@H]1C[NH2+]C[C@H](C2CC2)O1 ZINC000071308770 176116011 /nfs/dbraw/zinc/11/60/11/176116011.db2.gz BVMFZKOGWUKYIV-KGLIPLIRSA-N 1 0 257.337 2.013 10 0 CEAERO CCN([C@@H](C)Cc1ccccc1OC)[C@@H]1CC[NH2+]C1 ZINC000071312315 176119130 /nfs/dbraw/zinc/11/91/30/176119130.db2.gz VVRWLMFZZXFZRS-DZGCQCFKSA-N 1 0 262.397 2.310 10 0 CEAERO CCCN(c1ccc(C(N)=O)cc1Cl)[C@@H]1CC[NH2+]C1 ZINC000071332387 176125529 /nfs/dbraw/zinc/12/55/29/176125529.db2.gz GNCAAVFBODENLT-LLVKDONJSA-N 1 0 281.787 2.017 10 0 CEAERO C[C@H]1CCC[NH2+][C@H]1CNC(=O)c1ccc(OC(F)F)cc1 ZINC000071338575 176128918 /nfs/dbraw/zinc/12/89/18/176128918.db2.gz WPEARTWCFAASKD-GWCFXTLKSA-N 1 0 298.333 2.406 10 0 CEAERO CCOc1ccc(C(=O)NC[C@H]2[NH2+]CCC[C@H]2C)cc1 ZINC000071338580 176129042 /nfs/dbraw/zinc/12/90/42/176129042.db2.gz WPWKTMMVSVZWGK-IUODEOHRSA-N 1 0 276.380 2.203 10 0 CEAERO C[C@@H]1CCC[NH2+][C@@H]1CNC(=O)NC1CCCCC1 ZINC000071338931 176129390 /nfs/dbraw/zinc/12/93/90/176129390.db2.gz YHLKYDSMKYKPQP-DGCLKSJQSA-N 1 0 253.390 2.006 10 0 CEAERO C[C@@H]1CCC[NH2+][C@H]1CN1C(=O)CC2(CCCCCC2)C1=O ZINC000071339245 176129549 /nfs/dbraw/zinc/12/95/49/176129549.db2.gz ZWZLDYACRGGDAR-KGLIPLIRSA-N 1 0 292.423 2.474 10 0 CEAERO COc1cccc(CN2CC(C)(C)[NH2+]C[C@H]2C(C)C)n1 ZINC000071342454 176130690 /nfs/dbraw/zinc/13/06/90/176130690.db2.gz DSHCDXOUMOROJK-AWEZNQCLSA-N 1 0 277.412 2.299 10 0 CEAERO CC[C@H]1CN(Cc2ncccn2)[C@H](c2ccccc2)C[NH2+]1 ZINC000071344410 176130908 /nfs/dbraw/zinc/13/09/08/176130908.db2.gz VFIXCRJXCVZPON-HOTGVXAUSA-N 1 0 282.391 2.402 10 0 CEAERO Cc1cccnc1C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000071344120 176131022 /nfs/dbraw/zinc/13/10/22/176131022.db2.gz DCPBVHKNFSBVJM-HNNXBMFYSA-N 1 0 260.312 2.352 10 0 CEAERO CC[C@@H]1CN(CCOCCOC)[C@H](C2CCCCC2)C[NH2+]1 ZINC000071344569 176131042 /nfs/dbraw/zinc/13/10/42/176131042.db2.gz KFJGWZUBZCUUMI-SJORKVTESA-N 1 0 298.471 2.282 10 0 CEAERO Cc1cccnc1CNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000071345505 176131677 /nfs/dbraw/zinc/13/16/77/176131677.db2.gz QTGTTXIWPBUNNP-UHFFFAOYSA-N 1 0 270.336 2.170 10 0 CEAERO CC(C)[C@H]1C[NH2+][C@H](C(C)(C)C)CN1CCn1cccn1 ZINC000071347209 176132207 /nfs/dbraw/zinc/13/22/07/176132207.db2.gz LDHFWVCHBVEFMG-CABCVRRESA-N 1 0 278.444 2.228 10 0 CEAERO CC(C)(C)[C@@H]1CN(CCn2cccn2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000071349275 176133112 /nfs/dbraw/zinc/13/31/12/176133112.db2.gz CNTQDHDBNCGSHO-DOTOQJQBSA-N 1 0 290.455 2.372 10 0 CEAERO CCC[C@H]1C[NH2+][C@H](CC(C)C)CN1CCn1cccn1 ZINC000071350292 176133484 /nfs/dbraw/zinc/13/34/84/176133484.db2.gz IZQNUGXKGWOSRG-CVEARBPZSA-N 1 0 278.444 2.372 10 0 CEAERO C[C@@H]1CCC[C@H]([N@H+](C)CCCn2ccc(N)n2)C1 ZINC000071352216 176134759 /nfs/dbraw/zinc/13/47/59/176134759.db2.gz GQJZUYWDVFQAKB-OLZOCXBDSA-N 1 0 250.390 2.366 10 0 CEAERO Cc1ccccc1C[N@H+](C)CCCn1ccc(N)n1 ZINC000071352035 176134945 /nfs/dbraw/zinc/13/49/45/176134945.db2.gz CSNIHZAUBHISOD-UHFFFAOYSA-N 1 0 258.369 2.296 10 0 CEAERO C[C@@H]1CN[C@H](Cc2ccccc2)C[N@@H+]1CC1CCOCC1 ZINC000071352617 176135710 /nfs/dbraw/zinc/13/57/10/176135710.db2.gz BVMBQWHECBSQFX-CRAIPNDOSA-N 1 0 288.435 2.318 10 0 CEAERO COCC[N@@H+]1CC2(CCCC2)NC[C@H]1CC(C)C ZINC000071358782 176137181 /nfs/dbraw/zinc/13/71/81/176137181.db2.gz GMXDPVZKEZRNOT-CQSZACIVSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@]1(C)CN(CCOCCOC)C2(CCCC2)C[NH2+]1 ZINC000071357968 176137567 /nfs/dbraw/zinc/13/75/67/176137567.db2.gz IRKRGRQOTIYDQO-OAHLLOKOSA-N 1 0 284.444 2.036 10 0 CEAERO CC[C@@]1(C)CN(CCn2cccn2)[C@H](C(C)(C)C)C[NH2+]1 ZINC000071357401 176137974 /nfs/dbraw/zinc/13/79/74/176137974.db2.gz RVEYTXCJFRZTRV-HOCLYGCPSA-N 1 0 278.444 2.372 10 0 CEAERO CCn1c(C[NH3+])nnc1SCc1cc(F)ccc1F ZINC000071375068 176140622 /nfs/dbraw/zinc/14/06/22/176140622.db2.gz TXFKPTLUCVHJEW-UHFFFAOYSA-N 1 0 284.335 2.327 10 0 CEAERO CCC1N=NC(=S)N1CC[N@H+](C)C1CCCC1 ZINC000071377669 176143098 /nfs/dbraw/zinc/14/30/98/176143098.db2.gz PBPQGUJQMDXIDB-UHFFFAOYSA-N 1 0 254.403 2.004 10 0 CEAERO Cc1ccc(N)c(C(=O)Nc2c[nH+]ccc2N(C)C)c1 ZINC000071382985 176146285 /nfs/dbraw/zinc/14/62/85/176146285.db2.gz TWHSSRMBLOQCCO-UHFFFAOYSA-N 1 0 270.336 2.291 10 0 CEAERO C[NH+](C)CCCNc1nc2ccccc2cc1C(N)=S ZINC000071386469 176147961 /nfs/dbraw/zinc/14/79/61/176147961.db2.gz HLORKRDCDWZHHB-UHFFFAOYSA-N 1 0 288.420 2.233 10 0 CEAERO Cc1cc(C)n(-c2nc3ccccc3cc2C(N)=[NH2+])n1 ZINC000071390269 176148410 /nfs/dbraw/zinc/14/84/10/176148410.db2.gz FHJDGKVAZPIMOL-UHFFFAOYSA-N 1 0 265.320 2.321 10 0 CEAERO CCc1nccn1-c1nc2ccccc2cc1C(N)=[NH2+] ZINC000071390282 176148563 /nfs/dbraw/zinc/14/85/63/176148563.db2.gz KHULZGVCUOZSKN-UHFFFAOYSA-N 1 0 265.320 2.267 10 0 CEAERO C[C@H](Oc1ccc(C[NH3+])cc1C(F)(F)F)C(=O)N(C)C ZINC000071398400 176151746 /nfs/dbraw/zinc/15/17/46/176151746.db2.gz MAQLLZOHNUTMMU-QMMMGPOBSA-N 1 0 290.285 2.020 10 0 CEAERO CC1(C)COCCN1C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000071401136 176153490 /nfs/dbraw/zinc/15/34/90/176153490.db2.gz KESRQQWVYZOJEC-CQSZACIVSA-N 1 0 276.380 2.104 10 0 CEAERO [NH3+][C@@H](CCC(=O)N1C[C@H]2CC[C@@H]1C2)c1ccccc1 ZINC000071401220 176153584 /nfs/dbraw/zinc/15/35/84/176153584.db2.gz QDXVDKKSENOTKY-CFVMTHIKSA-N 1 0 258.365 2.478 10 0 CEAERO Cc1ccc(O[C@H](C)C(=O)N2CCCCC2)c(C[NH3+])c1 ZINC000071403401 176154964 /nfs/dbraw/zinc/15/49/64/176154964.db2.gz SBWAZNOVYZWCEU-CYBMUJFWSA-N 1 0 276.380 2.234 10 0 CEAERO CC[NH2+]Cc1cc(C)ccc1O[C@H]1CCCCNC1=O ZINC000071406127 176155832 /nfs/dbraw/zinc/15/58/32/176155832.db2.gz NGTLVPNYSQPLBA-HNNXBMFYSA-N 1 0 276.380 2.152 10 0 CEAERO CC[NH2+]Cc1cc(C)ccc1O[C@H](C)C(=O)NC1CC1 ZINC000071406067 176155945 /nfs/dbraw/zinc/15/59/45/176155945.db2.gz OBOGIGOFDUSNCT-GFCCVEGCSA-N 1 0 276.380 2.150 10 0 CEAERO CCC[NH2+]Cc1cc(C)ccc1OCCS(=O)(=O)CC ZINC000071406263 176155954 /nfs/dbraw/zinc/15/59/54/176155954.db2.gz XSYBVWQOUCPGBA-UHFFFAOYSA-N 1 0 299.436 2.308 10 0 CEAERO CCOC(=O)[C@@H](C)Oc1ccc(C)cc1C[C@@H](C)[NH3+] ZINC000071411791 176157160 /nfs/dbraw/zinc/15/71/60/176157160.db2.gz BLMSJHOXIRRTGW-VXGBXAGGSA-N 1 0 265.353 2.215 10 0 CEAERO CCCCNC(=O)[C@H](C)Oc1ccc(C)cc1CC[NH3+] ZINC000071411298 176157195 /nfs/dbraw/zinc/15/71/95/176157195.db2.gz XLCKSGIYAMWNMW-ZDUSSCGKSA-N 1 0 278.396 2.180 10 0 CEAERO CCNC(=O)[C@H](C)Oc1ccc(C)cc1C[C@@H]([NH3+])CC ZINC000071412122 176157397 /nfs/dbraw/zinc/15/73/97/176157397.db2.gz MMZVIBDLFZPWEI-JSGCOSHPSA-N 1 0 278.396 2.178 10 0 CEAERO Cc1ccc(OCC(=O)NCC(C)C)c(C[C@H](C)[NH3+])c1 ZINC000071412040 176157455 /nfs/dbraw/zinc/15/74/55/176157455.db2.gz OLIQMCOENMHSLK-ZDUSSCGKSA-N 1 0 278.396 2.036 10 0 CEAERO CCCCCc1ccc2c(c1)CCN(CC[NH3+])C2=O ZINC000071494746 176191865 /nfs/dbraw/zinc/19/18/65/176191865.db2.gz DODHYZZGVJISCU-UHFFFAOYSA-N 1 0 260.381 2.376 10 0 CEAERO COc1ccc([C@H](O)[C@H](C)[NH2+]C(C)C)cc1OC ZINC000071574763 176201877 /nfs/dbraw/zinc/20/18/77/176201877.db2.gz LYFAMPQJBWFRBY-IINYFYTJSA-N 1 0 253.342 2.124 10 0 CEAERO CC[NH2+][C@@H](C)[C@@H](O)c1ccc(OC)c(C)c1OC ZINC000071574807 176202075 /nfs/dbraw/zinc/20/20/75/176202075.db2.gz ZNYMCLBBDNSUEJ-GXFFZTMASA-N 1 0 253.342 2.044 10 0 CEAERO CN1CC[NH2+][C@@H](c2cccc(Br)c2)C1 ZINC000071576407 176204045 /nfs/dbraw/zinc/20/40/45/176204045.db2.gz IYXDKHZGHYEHEJ-LLVKDONJSA-N 1 0 255.159 2.025 10 0 CEAERO CN1CC[NH2+]C[C@@H]1c1cc(Br)cs1 ZINC000071587279 176214820 /nfs/dbraw/zinc/21/48/20/176214820.db2.gz NJUBWFJKOMLQQB-MRVPVSSYSA-N 1 0 261.188 2.087 10 0 CEAERO C[NH2+][C@@H](C(C)C)[C@@H](O)c1cc(OC)c(C)cc1OC ZINC000071599195 176223549 /nfs/dbraw/zinc/22/35/49/176223549.db2.gz SSPHWIBBJSQMFZ-GJZGRUSLSA-N 1 0 267.369 2.290 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC(C3CCC3)CC2)C1 ZINC000662632185 415912702 /nfs/dbraw/zinc/91/27/02/415912702.db2.gz NSCZANCQQDMFES-ZIAGYGMSSA-N 1 0 250.386 2.153 10 0 CEAERO CCOC(=O)C[C@H]([NH3+])Cc1ccc(Br)cc1 ZINC000074486015 176571839 /nfs/dbraw/zinc/57/18/39/176571839.db2.gz NZDDZMVKKCNJKE-LLVKDONJSA-N 1 0 286.169 2.272 10 0 CEAERO Cc1cc(C)cc(CNC(=O)[C@@]2(C)CCCC[NH2+]2)c1 ZINC000662648132 415918992 /nfs/dbraw/zinc/91/89/92/415918992.db2.gz XKIVXDSNDCPTHB-MRXNPFEDSA-N 1 0 260.381 2.452 10 0 CEAERO CC(C)([NH3+])C(=O)Nc1ccc(Br)s1 ZINC000076358471 177000674 /nfs/dbraw/zinc/00/06/74/177000674.db2.gz UPYMCDKLTYEKMZ-UHFFFAOYSA-N 1 0 263.160 2.186 10 0 CEAERO C[NH2+]CCC(=O)OCc1ccc2c(c1)CCCS2 ZINC000076372715 177009033 /nfs/dbraw/zinc/00/90/33/177009033.db2.gz UHARAPZLMIAVMY-UHFFFAOYSA-N 1 0 265.378 2.378 10 0 CEAERO COC(=O)c1ccc(Cl)c(NC(=O)C(C)(C)C[NH3+])c1 ZINC000076492651 177028138 /nfs/dbraw/zinc/02/81/38/177028138.db2.gz VGXWXZLBRCDVET-UHFFFAOYSA-N 1 0 284.743 2.050 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCC(C)(C)C ZINC000076552236 177037346 /nfs/dbraw/zinc/03/73/46/177037346.db2.gz MDKCAEMNZGJLGI-GFCCVEGCSA-N 1 0 257.422 2.308 10 0 CEAERO COc1ccc(NC(=O)[C@@H](CC[NH3+])C(C)C)cc1 ZINC000076654585 177044342 /nfs/dbraw/zinc/04/43/42/177044342.db2.gz UWAKALFOQLKERF-ZDUSSCGKSA-N 1 0 250.342 2.255 10 0 CEAERO CCCNC(=O)[C@@H](CC[NH3+])c1ccccc1Cl ZINC000076658714 177047577 /nfs/dbraw/zinc/04/75/77/177047577.db2.gz MWYDADGDBPFWIF-NSHDSACASA-N 1 0 254.761 2.299 10 0 CEAERO CCNC(=O)CC[C@@H](C[NH3+])c1ccccc1Cl ZINC000076659009 177047923 /nfs/dbraw/zinc/04/79/23/177047923.db2.gz ASZWQTIUCUHSIQ-JTQLQIEISA-N 1 0 254.761 2.299 10 0 CEAERO [NH3+]CC[C@@H](C(=O)NCc1ccco1)C1CCCCC1 ZINC000076679938 177057815 /nfs/dbraw/zinc/05/78/15/177057815.db2.gz UBLBNLFPULXWKO-CQSZACIVSA-N 1 0 264.369 2.441 10 0 CEAERO CC(C)(O)C[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000076807203 177099993 /nfs/dbraw/zinc/09/99/93/177099993.db2.gz HZBUBOPZCVZNBH-ZDUSSCGKSA-N 1 0 251.345 2.461 10 0 CEAERO CC(C)(O)C[NH2+]CCOc1ccc(Br)cc1 ZINC000078515121 177349142 /nfs/dbraw/zinc/34/91/42/177349142.db2.gz RPXKEJKCDWDYDV-UHFFFAOYSA-N 1 0 288.185 2.188 10 0 CEAERO CC[NH2+]C[C@H](O)c1ccc(OC)c(OC)c1Cl ZINC000078625968 177361337 /nfs/dbraw/zinc/36/13/37/177361337.db2.gz SIWXNSBYFHQUEQ-VIFPVBQESA-N 1 0 259.733 2.000 10 0 CEAERO C[C@H]([NH3+])c1ccc(Sc2nc(N)cc(N)n2)cc1Cl ZINC000078938766 177407603 /nfs/dbraw/zinc/40/76/03/177407603.db2.gz ZZGKCMYMJGYTGR-LURJTMIESA-N 1 0 295.799 2.465 10 0 CEAERO COC(=O)c1cc(F)ccc1NC(=O)CC[C@H](C)CC[NH3+] ZINC000079117880 177436254 /nfs/dbraw/zinc/43/62/54/177436254.db2.gz LTHMZGDSZHTXQG-JTQLQIEISA-N 1 0 296.342 2.316 10 0 CEAERO C[C@@H](CC[NH3+])CCC(=O)N(C)Cc1ccc(O)cc1 ZINC000079118783 177436730 /nfs/dbraw/zinc/43/67/30/177436730.db2.gz RCFGVMDRPYSBMY-GFCCVEGCSA-N 1 0 264.369 2.116 10 0 CEAERO CCC[C@@H](CC[NH3+])CCC(=O)OC[C@@H]1CCCO1 ZINC000079232790 177451977 /nfs/dbraw/zinc/45/19/77/177451977.db2.gz HLMPRXTUECEMDM-OLZOCXBDSA-N 1 0 257.374 2.254 10 0 CEAERO CCC[C@@H](CC[NH3+])CCc1nc(C[C@H]2CCCO2)no1 ZINC000079232015 177452262 /nfs/dbraw/zinc/45/22/62/177452262.db2.gz HFXPARLAYBVVNF-CHWSQXEVSA-N 1 0 281.400 2.489 10 0 CEAERO CC(C)(C)[C@@H](CC[NH3+])CCC(=O)NC[C@H]1CCCO1 ZINC000079289032 177464472 /nfs/dbraw/zinc/46/44/72/177464472.db2.gz JVLKSPOIMYXYHT-CHWSQXEVSA-N 1 0 270.417 2.073 10 0 CEAERO CC[C@@H]1CCCN(c2c(CC[NH3+])c(C)nn2C)CC1 ZINC000079418990 177486201 /nfs/dbraw/zinc/48/62/01/177486201.db2.gz XDSKGOLYWMMJAU-CYBMUJFWSA-N 1 0 264.417 2.246 10 0 CEAERO CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079517690 177513259 /nfs/dbraw/zinc/51/32/59/177513259.db2.gz PRXSIKADKFILNK-OAHLLOKOSA-N 1 0 282.334 2.455 10 0 CEAERO COc1cccc([C@H](C)NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])c1 ZINC000079528077 177516313 /nfs/dbraw/zinc/51/63/13/177516313.db2.gz UTHFODAVOSGRNH-SOCCEZPTSA-N 1 0 288.391 2.246 10 0 CEAERO NC(=[NH2+])COc1ccc(NC(=O)NC2CCCCC2)cc1 ZINC000079778024 177557041 /nfs/dbraw/zinc/55/70/41/177557041.db2.gz UIHXUBAZCBAOHU-UHFFFAOYSA-N 1 0 290.367 2.456 10 0 CEAERO NC(=[NH2+])c1ccc(CNC(=O)Nc2ccccc2F)cc1 ZINC000079777521 177557158 /nfs/dbraw/zinc/55/71/58/177557158.db2.gz XHFYEWDCTPYPDT-UHFFFAOYSA-N 1 0 286.310 2.431 10 0 CEAERO Cc1cccc(NC(=O)N2CCC(C(N)=[NH2+])CC2)c1 ZINC000079843330 177569575 /nfs/dbraw/zinc/56/95/75/177569575.db2.gz BYUKSPGFZWIGSX-UHFFFAOYSA-N 1 0 260.341 2.175 10 0 CEAERO Cc1cc(C(=O)NCCCCC[NH3+])c2ccccc2n1 ZINC000079867940 177573096 /nfs/dbraw/zinc/57/30/96/177573096.db2.gz ZODFZISORHOFHI-UHFFFAOYSA-N 1 0 271.364 2.402 10 0 CEAERO C[C@@H]1CCN(C(=O)NC[C@@H]2C[C@H]2C2CCC2)[C@@H](C[NH3+])C1 ZINC000333236405 287532161 /nfs/dbraw/zinc/53/21/61/287532161.db2.gz AFXXSGBVCXRSFM-BEAPCOKYSA-N 1 0 279.428 2.191 10 0 CEAERO COc1ccc(NC(=O)C[C@@H]([NH3+])C(C)C)cc1F ZINC000136310929 419443296 /nfs/dbraw/zinc/44/32/96/419443296.db2.gz OGHITYJCQQPLTP-LLVKDONJSA-N 1 0 254.305 2.146 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)Nc1ccc2c(c1)NC(=O)CS2 ZINC000136349771 419444625 /nfs/dbraw/zinc/44/46/25/419444625.db2.gz FPLXFXXRTUJVTM-SNVBAGLBSA-N 1 0 293.392 2.043 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1nc2c(s1)CCCC2 ZINC000136442030 419447147 /nfs/dbraw/zinc/44/71/47/419447147.db2.gz FUORIKRPVWCJAT-VIFPVBQESA-N 1 0 267.398 2.334 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)NCc1ccccc1OC(F)F ZINC000136436586 419447739 /nfs/dbraw/zinc/44/77/39/419447739.db2.gz MBKSZHUVFZBSFW-NSHDSACASA-N 1 0 286.322 2.278 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)NCCSc1ccccc1 ZINC000136410127 419448639 /nfs/dbraw/zinc/44/86/39/419448639.db2.gz FSVOQJAREQEIBL-ZDUSSCGKSA-N 1 0 266.410 2.268 10 0 CEAERO O=C(c1nc2ccccc2s1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179645785 260060561 /nfs/dbraw/zinc/06/05/61/260060561.db2.gz IJEFVHXCWJFSCP-LLVKDONJSA-N 1 0 287.388 2.217 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+]CC2(C)CCOCC2)C12CCOCC2 ZINC000186418296 270250147 /nfs/dbraw/zinc/25/01/47/270250147.db2.gz ZLYOPNMASHKQNH-CABCVRRESA-N 1 0 297.439 2.367 10 0 CEAERO CCC1(CC)CCC[N@H+](C[C@H](O)CN2CCCC2=O)CC1 ZINC000190415482 270268615 /nfs/dbraw/zinc/26/86/15/270268615.db2.gz VJUWJDPWVJKVCD-HNNXBMFYSA-N 1 0 296.455 2.262 10 0 CEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCS[C@H](C)CC2)C1 ZINC000192260900 270277223 /nfs/dbraw/zinc/27/72/23/270277223.db2.gz RAIMNUQCXURKCB-BFHYXJOUSA-N 1 0 299.484 2.252 10 0 CEAERO C[C@@H]1CCC[C@@H](CCNC(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000227086220 270310544 /nfs/dbraw/zinc/31/05/44/270310544.db2.gz VFHIGRVPWGNCFR-VNHYZAJKSA-N 1 0 252.402 2.461 10 0 CEAERO CC1(C)CCC[NH2+][C@H]1C(=O)Nc1cccc2c[nH]nc21 ZINC000232956794 270314802 /nfs/dbraw/zinc/31/48/02/270314802.db2.gz YCFVREZSBJCGIR-ZDUSSCGKSA-N 1 0 272.352 2.280 10 0 CEAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC000392863315 270341654 /nfs/dbraw/zinc/34/16/54/270341654.db2.gz KYRFAZWYCREXHY-ABAIWWIYSA-N 1 0 258.365 2.321 10 0 CEAERO CCOc1ccccc1[C@H](C)[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000393002423 270341706 /nfs/dbraw/zinc/34/17/06/270341706.db2.gz LWZDCYAHOCWWON-OBJOEFQTSA-N 1 0 276.380 2.403 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]CC2([S@](C)=O)CCC2)c1C ZINC000393705241 270343692 /nfs/dbraw/zinc/34/36/92/270343692.db2.gz KAYJSUKDQLOLNQ-YBTHPKLGSA-N 1 0 297.468 2.472 10 0 CEAERO Cn1cncc1C[NH2+]C(C)(C)CCNC(=O)OC(C)(C)C ZINC000397448581 270354426 /nfs/dbraw/zinc/35/44/26/270354426.db2.gz PEFWIZKZWNRALO-UHFFFAOYSA-N 1 0 296.415 2.203 10 0 CEAERO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)cc1F ZINC000398961676 270364810 /nfs/dbraw/zinc/36/48/10/270364810.db2.gz VEUQKEGAJSKNTK-MELADBBJSA-N 1 0 279.355 2.427 10 0 CEAERO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1ncccc1C(=O)OC ZINC000399662205 270370868 /nfs/dbraw/zinc/37/08/68/270370868.db2.gz LOLDSSLRPGNLTJ-RYUDHWBXSA-N 1 0 262.353 2.489 10 0 CEAERO C[NH+](C)CCc1c[nH]c2ccc3c(c12)CN1C(=O)OC[C@@H]1C3 ZINC000077302887 273797427 /nfs/dbraw/zinc/79/74/27/273797427.db2.gz YDKNKTBZEYUPQS-ZDUSSCGKSA-N 1 0 299.374 2.149 10 0 in-vitro CEAERO COC(=O)[C@H]1C[NH2+]CC[C@H]1Cc1ccc(Cl)cc1 ZINC000039941216 273995586 /nfs/dbraw/zinc/99/55/86/273995586.db2.gz GLBHYYPYZIJNHF-AAEUAGOBSA-N 1 0 267.756 2.281 10 0 CEAERO [NH3+]Cc1cc(C(=O)N[C@H]2CCCc3ccccc32)ccn1 ZINC000130008926 274953635 /nfs/dbraw/zinc/95/36/35/274953635.db2.gz SPMJDLMIESMYSH-INIZCTEOSA-N 1 0 281.359 2.348 10 0 CEAERO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000180496850 275671908 /nfs/dbraw/zinc/67/19/08/275671908.db2.gz VOJVLHNSHXXYKN-IAGOWNOFSA-N 1 0 294.414 2.313 10 0 CEAERO CC1(C)CN(C(=O)C2CCC(F)(F)CC2)CC[C@@H]1[NH3+] ZINC000311478241 276121246 /nfs/dbraw/zinc/12/12/46/276121246.db2.gz SNXUBUACJRMGFQ-NSHDSACASA-N 1 0 274.355 2.398 10 0 CEAERO CCN1CCC[C@@H]([NH2+][C@H]2CC(=O)N(C)c3ccccc32)C1 ZINC000250188568 276167936 /nfs/dbraw/zinc/16/79/36/276167936.db2.gz ABKWCHUZTNTEBF-HIFRSBDPSA-N 1 0 287.407 2.168 10 0 CEAERO C[C@@H]1CN(C(=O)NC2CCC(F)(F)CC2)C[C@@]1(C)C[NH3+] ZINC000334925274 287900196 /nfs/dbraw/zinc/90/01/96/287900196.db2.gz KKEMBTYLLWFFAM-ZWNOBZJWSA-N 1 0 289.370 2.191 10 0 CEAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](C)C1CCC1)CC2 ZINC000180650534 278078448 /nfs/dbraw/zinc/07/84/48/278078448.db2.gz KLWSUMFAVRXSOF-DGCLKSJQSA-N 1 0 262.401 2.495 10 0 CEAERO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2COc3ccccc32)C1 ZINC000250962482 278116366 /nfs/dbraw/zinc/11/63/66/278116366.db2.gz XAWFMRQPDKYYLX-BZPMIXESSA-N 1 0 295.404 2.066 10 0 CEAERO C[C@@H]1CN(C(=O)c2cc(Cl)sc2Cl)C[C@H]1[NH3+] ZINC000235363483 288017049 /nfs/dbraw/zinc/01/70/49/288017049.db2.gz YNCWORWQUITQKU-IYSWYEEDSA-N 1 0 279.192 2.474 10 0 CEAERO C[C@H](CCc1cccc(F)c1)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000248394495 278175975 /nfs/dbraw/zinc/17/59/75/278175975.db2.gz XVIUBGVOCPUGIO-PBHICJAKSA-N 1 0 294.414 2.409 10 0 CEAERO C[C@@H](C(=O)N(C)[C@H](C)c1ccc(F)cc1)C1C[NH2+]C1 ZINC000164178370 278185538 /nfs/dbraw/zinc/18/55/38/278185538.db2.gz RSZJAFNPNQOIMS-GHMZBOCLSA-N 1 0 264.344 2.201 10 0 CEAERO C[C@@H](C(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccccc1 ZINC000182444477 278193593 /nfs/dbraw/zinc/19/35/93/278193593.db2.gz IXFKVGPJAPMFRP-ZBFHGGJFSA-N 1 0 272.392 2.487 10 0 CEAERO CC[C@H]([NH2+]C1CC([N@H+](CC)CC(=O)[O-])C1)C1CCCC1 ZINC000263492291 288033770 /nfs/dbraw/zinc/03/37/70/288033770.db2.gz IUCRYZUFLNCSRM-NRXISQOPSA-N 1 0 282.428 2.482 10 0 CEAERO C[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)C(C)(C)C ZINC000089732449 278381838 /nfs/dbraw/zinc/38/18/38/278381838.db2.gz CLOCEAHOKIBMPJ-OLZOCXBDSA-N 1 0 262.401 2.470 10 0 CEAERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1cc(F)c(F)c(F)c1 ZINC000180602291 278388244 /nfs/dbraw/zinc/38/82/44/278388244.db2.gz RHAXNYXPDKAFLJ-SCZZXKLOSA-N 1 0 296.296 2.361 10 0 CEAERO CC(C)C[C@H](C)C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000184838000 279081847 /nfs/dbraw/zinc/08/18/47/279081847.db2.gz MKJCUBKJVLCEKC-GJZGRUSLSA-N 1 0 298.471 2.220 10 0 CEAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H](C)c1ccnn1C ZINC000192249606 279133865 /nfs/dbraw/zinc/13/38/65/279133865.db2.gz YVOKFKFFVLEJQC-QWHCGFSZSA-N 1 0 252.406 2.047 10 0 CEAERO CCN1CCC[C@@H]([NH2+][C@H]2CC(C)(C)OC2(C)C)C1 ZINC000246630418 279295279 /nfs/dbraw/zinc/29/52/79/279295279.db2.gz YRANKUUYSJNKPK-OLZOCXBDSA-N 1 0 254.418 2.406 10 0 CEAERO C[C@H]([NH3+])CC(=O)NCCC12CC3CC(CC(C3)C1)C2 ZINC000261732620 279394634 /nfs/dbraw/zinc/39/46/34/279394634.db2.gz HUMNEVFKZAWIPJ-IKMFHRHGSA-N 1 0 264.413 2.446 10 0 CEAERO C[C@H]([NH3+])[C@@H]1CCCN(c2nc3ccccc3n2C)C1 ZINC000079048696 279407237 /nfs/dbraw/zinc/40/72/37/279407237.db2.gz RFTGBYIENARVQS-NWDGAFQWSA-N 1 0 258.369 2.137 10 0 CEAERO CC[C@@H](SC)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000126167621 279824666 /nfs/dbraw/zinc/82/46/66/279824666.db2.gz PRBGUFWWZFVFEU-VXGBXAGGSA-N 1 0 260.447 2.221 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1cncc(C)c1 ZINC000134501221 280023996 /nfs/dbraw/zinc/02/39/96/280023996.db2.gz SEUNMDMYICHHQC-HNNXBMFYSA-N 1 0 290.411 2.016 10 0 CEAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000282289574 280040759 /nfs/dbraw/zinc/04/07/59/280040759.db2.gz IYFWKQPONNMSNE-SKDRFNHKSA-N 1 0 286.297 2.462 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1ccnc(C2CC2)n1 ZINC000246443107 280293851 /nfs/dbraw/zinc/29/38/51/280293851.db2.gz KZNFTHFHGPMYTO-KGLIPLIRSA-N 1 0 272.396 2.417 10 0 CEAERO CC[C@H]1CN(C(=O)C2CCCCCC2)CC[N@@H+]1C[C@H](C)O ZINC000246677308 280306234 /nfs/dbraw/zinc/30/62/34/280306234.db2.gz ASBXRIHTHIGPMH-HOCLYGCPSA-N 1 0 296.455 2.260 10 0 CEAERO Cc1ccccc1CCC[N@H+]1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000246960328 280315991 /nfs/dbraw/zinc/31/59/91/280315991.db2.gz OJOLZRJFYRAMSR-IRXDYDNUSA-N 1 0 290.451 2.315 10 0 CEAERO CC(=O)N[C@@H]1CCC[N@@H+](C[C@H]2CCCC[C@H]2C)C1 ZINC000248483888 280349807 /nfs/dbraw/zinc/34/98/07/280349807.db2.gz JQEWTANGBLROCN-BPLDGKMQSA-N 1 0 252.402 2.413 10 0 CEAERO C[C@H](O)CN1CC[N@H+](C[C@@H]2CCCC[C@H]2C)C[C@@H]1C ZINC000248485770 280349812 /nfs/dbraw/zinc/34/98/12/280349812.db2.gz KVSCDGMXHJSHJC-UGUYLWEFSA-N 1 0 268.445 2.200 10 0 CEAERO CCC(C)(C)CNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000248843612 280368016 /nfs/dbraw/zinc/36/80/16/280368016.db2.gz QUTCTSZJZFLDEP-CHWSQXEVSA-N 1 0 269.433 2.451 10 0 CEAERO COC[C@H](C)C[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000249248999 280389583 /nfs/dbraw/zinc/38/95/83/280389583.db2.gz BSCBMAFMAABVDO-WBVHZDCISA-N 1 0 291.439 2.118 10 0 CEAERO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](C[C@@](C)(O)CC)C1 ZINC000249304305 280392662 /nfs/dbraw/zinc/39/26/62/280392662.db2.gz CTYFEQZZGDHLCZ-DZKIICNBSA-N 1 0 284.444 2.164 10 0 CEAERO Cc1cc(N2C[C@@H](C[NH3+])C[C@@H]2C)ncc1Br ZINC000163966302 280583872 /nfs/dbraw/zinc/58/38/72/280583872.db2.gz NPFHHNKLJGYCNJ-VHSXEESVSA-N 1 0 284.201 2.326 10 0 CEAERO C[C@H](N[C@@H]1CCC[NH2+][C@H]1C)c1ccc2c(c1)OCCO2 ZINC000396553588 280674080 /nfs/dbraw/zinc/67/40/80/280674080.db2.gz PUICNQCOHVQZQU-SGMGOOAPSA-N 1 0 276.380 2.249 10 0 CEAERO Cc1ccc(NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)c(C)c1O ZINC000335061013 280905113 /nfs/dbraw/zinc/90/51/13/280905113.db2.gz KQCDEASMAODWTE-VXGBXAGGSA-N 1 0 262.353 2.336 10 0 CEAERO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)C[C@@H]1[NH3+] ZINC000423989056 281109865 /nfs/dbraw/zinc/10/98/65/281109865.db2.gz YBMLAYORLDEQOA-KHMAMNHCSA-N 1 0 264.413 2.399 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N(CC)CC ZINC000246158417 288315815 /nfs/dbraw/zinc/31/58/15/288315815.db2.gz LMPQTVAWGYIGGB-STQMWFEESA-N 1 0 253.390 2.007 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(N(C)C)c1 ZINC000246973396 288312263 /nfs/dbraw/zinc/31/22/63/288312263.db2.gz DREZXOUWNQTOMF-CJNGLKHVSA-N 1 0 287.407 2.061 10 0 CEAERO C[C@@]1([NH3+])CCCC[C@H]1C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000263077810 289190142 /nfs/dbraw/zinc/19/01/42/289190142.db2.gz XEESJRYIRVHNHN-XJKSGUPXSA-N 1 0 290.411 2.023 10 0 CEAERO Cc1ccc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c(C)n1 ZINC000158819024 289240744 /nfs/dbraw/zinc/24/07/44/289240744.db2.gz QOOXHQJOHLOEKU-NHYWBVRUSA-N 1 0 275.396 2.157 10 0 CEAERO CCS[C@@H]1CC[C@H](N(C)C(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000262654440 289260432 /nfs/dbraw/zinc/26/04/32/289260432.db2.gz WRZGDPQJWGIELD-ZDEQEGDKSA-N 1 0 270.442 2.246 10 0 CEAERO C[C@H]1CC(NC(=O)N2CC[C@H]([NH+](C)C)C2)C[C@H](C)C1 ZINC000172511743 290346452 /nfs/dbraw/zinc/34/64/52/290346452.db2.gz BUKCLRAFRIXQBO-BZPMIXESSA-N 1 0 267.417 2.157 10 0 CEAERO C[C@H]1CC(NC(=O)[C@@]2(C)CCCC[NH2+]2)C[C@H](C)C1 ZINC000227695419 290349622 /nfs/dbraw/zinc/34/96/22/290349622.db2.gz FRZYQXKDTKDYBH-LALPHHSUSA-N 1 0 252.402 2.460 10 0 CEAERO CNC(=O)[C@@H]1C[C@H]([NH3+])CN1CCC1=C(C)CCCC1(C)C ZINC000067694635 290587856 /nfs/dbraw/zinc/58/78/56/290587856.db2.gz AITCUQAQKJMTEC-ZFWWWQNUSA-N 1 0 293.455 2.051 10 0 CEAERO C[C@H]1CC[NH2+]C[C@@H]1Nc1ncccc1Br ZINC000335655431 290601991 /nfs/dbraw/zinc/60/19/91/290601991.db2.gz CPKFXJKKZAEYSO-WPRPVWTQSA-N 1 0 270.174 2.254 10 0 CEAERO Cc1[nH+]c2ccc(F)cc2c(N2CCO[C@@H](CO)C2)c1C ZINC000095944336 293462243 /nfs/dbraw/zinc/46/22/43/293462243.db2.gz OZBRTBOADXQZGE-CYBMUJFWSA-N 1 0 290.338 2.188 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Br)o1 ZINC000038049235 295298538 /nfs/dbraw/zinc/29/85/38/295298538.db2.gz XSQRONIJPWDYNC-SFYZADRCSA-N 1 0 287.157 2.042 10 0 CEAERO COc1cccc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@@H]2C)c1 ZINC000282379945 295324926 /nfs/dbraw/zinc/32/49/26/295324926.db2.gz OJMIWJINZRSMSC-MISXGVKJSA-N 1 0 262.353 2.013 10 0 CEAERO O=C(C1CCOCC1)N1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000068589956 295450460 /nfs/dbraw/zinc/45/04/60/295450460.db2.gz DVUDXDGNIFYFID-MRXNPFEDSA-N 1 0 294.439 2.184 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000223890259 297111063 /nfs/dbraw/zinc/11/10/63/297111063.db2.gz ROEACTSMFIHHNC-RQJABVFESA-N 1 0 250.386 2.023 10 0 CEAERO C[C@H](CC(=O)N1CC[C@]2(CC[NH2+]C2)C1)C(C)(C)C ZINC000261559196 298296408 /nfs/dbraw/zinc/29/64/08/298296408.db2.gz DPEMLDGRIMNNIS-DOMZBBRYSA-N 1 0 252.402 2.271 10 0 CEAERO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000262730761 302159825 /nfs/dbraw/zinc/15/98/25/302159825.db2.gz BLMYOIPEQFUHNC-VDERGJSUSA-N 1 0 272.392 2.307 10 0 CEAERO Cc1nc(C)c(C(=O)N[C@H](CC(C)C)C[NH+](C)C)s1 ZINC000077730027 302571734 /nfs/dbraw/zinc/57/17/34/302571734.db2.gz JKJFAAFZZKAMKZ-GFCCVEGCSA-N 1 0 283.441 2.466 10 0 CEAERO FC(F)(F)c1cccnc1N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261616377 303119353 /nfs/dbraw/zinc/11/93/53/303119353.db2.gz UDGPWHYPVBCRQI-VHSXEESVSA-N 1 0 271.286 2.146 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1CC(=O)NCCSC(F)(F)F ZINC000261557272 303482306 /nfs/dbraw/zinc/48/23/06/303482306.db2.gz CMMKUPSGFGIEAJ-BDAKNGLRSA-N 1 0 284.347 2.263 10 0 CEAERO O=C(NCC1(Cc2ccc(F)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000262604410 303755910 /nfs/dbraw/zinc/75/59/10/303755910.db2.gz ZKKHFMAIQWEFDX-AWEZNQCLSA-N 1 0 276.355 2.017 10 0 CEAERO O=C(N[C@H]1CCCC[C@H]1C(F)(F)F)C1CC[NH2+]CC1 ZINC000037044235 303953309 /nfs/dbraw/zinc/95/33/09/303953309.db2.gz HIQRMXUCCYKCEZ-MNOVXSKESA-N 1 0 278.318 2.223 10 0 CEAERO CC(C)[C@]1(C)C[C@@H]1[NH2+]C[C@H](O)COCc1ccco1 ZINC000397202037 329344438 /nfs/dbraw/zinc/34/44/38/329344438.db2.gz WNEMIEUBLIHCJK-QEJZJMRPSA-N 1 0 267.369 2.181 10 0 CEAERO COC[C@](C)(O)C[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000394586624 329127633 /nfs/dbraw/zinc/12/76/33/329127633.db2.gz JZAXRMIOFXSNKJ-TVQRCGJNSA-N 1 0 259.296 2.013 10 0 CEAERO C[C@H](Cc1ccsc1)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000395277036 329285732 /nfs/dbraw/zinc/28/57/32/329285732.db2.gz QZWNRWIEZQVGLN-NQBHXWOUSA-N 1 0 266.410 2.183 10 0 CEAERO Brc1ccc2c(c1)NCC21CC[NH2+]CC1 ZINC000237988483 330381912 /nfs/dbraw/zinc/38/19/12/330381912.db2.gz QRSKLWQTTCHHOA-UHFFFAOYSA-N 1 0 267.170 2.496 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])[C@H]1c1ccc(N)cc1 ZINC000536954662 330383007 /nfs/dbraw/zinc/38/30/07/330383007.db2.gz XKHYYWUOAASORQ-CHWSQXEVSA-N 1 0 277.368 2.278 10 0 CEAERO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(F)F ZINC000399771084 333249136 /nfs/dbraw/zinc/24/91/36/333249136.db2.gz ZRQLHUBZNNNCEJ-NWDGAFQWSA-N 1 0 269.291 2.173 10 0 CEAERO CC(C)(C)[NH2+]CCc1nnc(-c2cscn2)o1 ZINC000062362181 518758515 /nfs/dbraw/zinc/75/85/15/518758515.db2.gz VBOYXTQOHOGXJZ-UHFFFAOYSA-N 1 0 252.343 2.124 10 0 CEAERO CC(C)C[C@H]1C[NH2+][C@@H](C(C)C)CN1Cc1cnn(C)c1 ZINC000068703447 519415290 /nfs/dbraw/zinc/41/52/90/519415290.db2.gz RHAVRGGKOHYJDI-JKSUJKDBSA-N 1 0 278.444 2.265 10 0 CEAERO CC(C)[NH2+]Cc1cc(COCC(F)(F)F)on1 ZINC000052601538 519726346 /nfs/dbraw/zinc/72/63/46/519726346.db2.gz FVOOFNXFEYIBTE-UHFFFAOYSA-N 1 0 252.236 2.252 10 0 CEAERO CC(C)OCCOC[C@H](O)C[NH2+]CCC1=CCCCC1 ZINC000055378595 519768654 /nfs/dbraw/zinc/76/86/54/519768654.db2.gz YLVRZKXWBOOQLK-MRXNPFEDSA-N 1 0 285.428 2.269 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)NCc1cccc(Cl)c1 ZINC000061289066 519905701 /nfs/dbraw/zinc/90/57/01/519905701.db2.gz RKKMFXRTIJPASH-UHFFFAOYSA-N 1 0 254.761 2.344 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1cc(C(=O)OC)ccc1Cl ZINC000061232455 519938752 /nfs/dbraw/zinc/93/87/52/519938752.db2.gz CAFXQHOYMPUBBE-SECBINFHSA-N 1 0 298.770 2.311 10 0 CEAERO CC[NH2+]C[C@H](O)c1cc(Br)cs1 ZINC000055028022 519972733 /nfs/dbraw/zinc/97/27/33/519972733.db2.gz YJQUIPHAOZDQHG-ZETCQYMHSA-N 1 0 250.161 2.154 10 0 CEAERO CCC[NH2+][C@@H](CCN(CC)c1cccc(C)c1)C(N)=O ZINC000062452985 519996434 /nfs/dbraw/zinc/99/64/34/519996434.db2.gz ZRDHDCAGNZLJIN-HNNXBMFYSA-N 1 0 277.412 2.065 10 0 CEAERO CC[NH2+]Cc1ccccc1OCCOCCOCC ZINC000052604217 520009669 /nfs/dbraw/zinc/00/96/69/520009669.db2.gz QOYRZKNHBNGHEI-UHFFFAOYSA-N 1 0 267.369 2.228 10 0 CEAERO CC[NH2+]Cc1oc(CN2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000052381007 520028788 /nfs/dbraw/zinc/02/87/88/520028788.db2.gz WVQSFBCRVCCIKH-BETUJISGSA-N 1 0 266.385 2.307 10 0 CEAERO CCC[NH2+][C@@](C)(C[C@@H](C)Oc1cccc(C)c1)C(N)=O ZINC000068656284 520040395 /nfs/dbraw/zinc/04/03/95/520040395.db2.gz NGBNNWFVPFLFRG-CJNGLKHVSA-N 1 0 278.396 2.396 10 0 CEAERO CCC[NH2+][C@@](C)(C[C@H](C)[NH+]1CCCCC1)C(=O)[O-] ZINC000068620374 520044474 /nfs/dbraw/zinc/04/44/74/520044474.db2.gz SEKPGRBXDUAMDF-JSGCOSHPSA-N 1 0 256.390 2.094 10 0 CEAERO CCCN[C@@](C[N@H+](CC)CCC)(C(=O)OC)C1CC1 ZINC000069098006 520052109 /nfs/dbraw/zinc/05/21/09/520052109.db2.gz CMOWLWZHOUPZKL-OAHLLOKOSA-N 1 0 270.417 2.040 10 0 CEAERO CCC[NH2+][C@H](C(N)=O)c1cccc(OCCC)c1 ZINC000052921451 520062041 /nfs/dbraw/zinc/06/20/41/520062041.db2.gz KZCKPYMQYMQGSD-ZDUSSCGKSA-N 1 0 250.342 2.001 10 0 CEAERO CCCN[C@H](CC[NH+](CCC)CCC)C(=O)OCC ZINC000062442050 520074235 /nfs/dbraw/zinc/07/42/35/520074235.db2.gz VQJDHBYYMRBMNM-CQSZACIVSA-N 1 0 272.433 2.430 10 0 CEAERO CCC[NH2+][C@H](CN(C)CC1CCOCC1)C1CC1 ZINC000069075851 520081119 /nfs/dbraw/zinc/08/11/19/520081119.db2.gz FGMMPEGKWCVISQ-OAHLLOKOSA-N 1 0 254.418 2.123 10 0 CEAERO CCCN[C@](C)(C[C@H](C)[N@@H+]1CCCC(C)(C)C1)C(N)=O ZINC000068647805 520113428 /nfs/dbraw/zinc/11/34/28/520113428.db2.gz IJHPVTPRJFDTSO-XJKSGUPXSA-N 1 0 283.460 2.131 10 0 CEAERO CC[NH2+][C@@H]1COc2cc(OC3CCOCC3)ccc21 ZINC000069289594 520123561 /nfs/dbraw/zinc/12/35/61/520123561.db2.gz AYAVQTKZKYENGZ-CQSZACIVSA-N 1 0 263.337 2.287 10 0 CEAERO CCCCC[N@H+](C)C[C@](NC1CC1)(C(=O)OC)C1CC1 ZINC000069098325 520153164 /nfs/dbraw/zinc/15/31/64/520153164.db2.gz PDKZTAHJULSERS-MRXNPFEDSA-N 1 0 282.428 2.182 10 0 CEAERO CC[NH2+][C@@](CSc1ccc(F)cc1)(C(N)=O)C1CC1 ZINC000069186769 520158199 /nfs/dbraw/zinc/15/81/99/520158199.db2.gz CYONSBNRYMBCNE-CQSZACIVSA-N 1 0 282.384 2.161 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(F)cc1OCc1ncon1 ZINC000062746815 520177444 /nfs/dbraw/zinc/17/74/44/520177444.db2.gz UQJCCFKQFCCEAX-SECBINFHSA-N 1 0 265.288 2.458 10 0 CEAERO CC[NH2+][C@H](CCCS(C)(=O)=O)Cc1cccc(C)c1 ZINC000063017167 520185848 /nfs/dbraw/zinc/18/58/48/520185848.db2.gz NBXWBQXDDIRVJK-OAHLLOKOSA-N 1 0 283.437 2.340 10 0 CEAERO CC[NH2+][C@H]1CCC2(C[C@H]1N(C)C(C)(C)CC)OCCO2 ZINC000069431376 520213555 /nfs/dbraw/zinc/21/35/55/520213555.db2.gz KYWUEBCWXBWCJS-UONOGXRCSA-N 1 0 284.444 2.381 10 0 CEAERO CC[NH2+][C@](C)(CCCOc1ccc(C)cc1)C(N)=O ZINC000045476616 520228808 /nfs/dbraw/zinc/22/88/08/520228808.db2.gz SLVKYHSEQKMYMF-OAHLLOKOSA-N 1 0 264.369 2.008 10 0 CEAERO CCN[C@](C)(C[C@@H](C)[N@H+](CC1CC1)C1CC1)C(=O)OC ZINC000068648318 520236328 /nfs/dbraw/zinc/23/63/28/520236328.db2.gz SBPRBYDRRARMNL-MLGOLLRUSA-N 1 0 282.428 2.181 10 0 CEAERO CCOC(=O)[C@@H](CC[N@H+](C)C(CC)CC)NC1CC1 ZINC000062448836 521056107 /nfs/dbraw/zinc/05/61/07/521056107.db2.gz PEKVKWAYEACMKM-CQSZACIVSA-N 1 0 270.417 2.181 10 0 CEAERO CCOC(=O)[C@H](CC[N@H+](C)C1CCC(CC)CC1)NC ZINC000062525875 521241182 /nfs/dbraw/zinc/24/11/82/521241182.db2.gz FPJIJYRLOLJDGK-NRXISQOPSA-N 1 0 284.444 2.428 10 0 CEAERO CCC(C)(C)[N@H+](C)CCC[C@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000069446527 521302143 /nfs/dbraw/zinc/30/21/43/521302143.db2.gz XTVUUDFBCZLCMW-HNNXBMFYSA-N 1 0 270.417 2.482 10 0 CEAERO CCCc1nc(N(C)CCOC)sc1C[NH2+]CC ZINC000055001713 521528738 /nfs/dbraw/zinc/52/87/38/521528738.db2.gz ASZPPZQMOMKZAZ-UHFFFAOYSA-N 1 0 271.430 2.288 10 0 CEAERO CCCc1nc(N2CC[NH+](C(C)C)CC2)sc1CO ZINC000055003348 521532103 /nfs/dbraw/zinc/53/21/03/521532103.db2.gz ZFFNRMADSRWQBX-UHFFFAOYSA-N 1 0 283.441 2.118 10 0 CEAERO CCCc1nc(N2CCO[C@@H]3CCC[C@@H]32)sc1C[NH3+] ZINC000054999049 521533708 /nfs/dbraw/zinc/53/37/08/521533708.db2.gz GCWYWAZQMYSLAE-NWDGAFQWSA-N 1 0 281.425 2.312 10 0 CEAERO CCCc1[nH+]c2cc(N)ccc2n1[C@H](C)C(=O)OC ZINC000052854616 521542277 /nfs/dbraw/zinc/54/22/77/521542277.db2.gz PLWCCISOIBAZMM-SECBINFHSA-N 1 0 261.325 2.305 10 0 CEAERO CCCN(CC[NH3+])C(=O)[C@H]1CCCc2ccccc21 ZINC000054668353 521660309 /nfs/dbraw/zinc/66/03/09/521660309.db2.gz KLPDSWADECELSM-HNNXBMFYSA-N 1 0 260.381 2.304 10 0 CEAERO CCC[N@H+](CC[C@H](NC(C)C)C(=O)OCC)C(C)C ZINC000062446652 521670658 /nfs/dbraw/zinc/67/06/58/521670658.db2.gz NDRQIOSZTFTRMW-AWEZNQCLSA-N 1 0 272.433 2.427 10 0 CEAERO CCNC(=O)CC[NH2+][C@H]1CCCc2sccc21 ZINC000061362139 521735867 /nfs/dbraw/zinc/73/58/67/521735867.db2.gz FZAZETMIAMPEHL-NSHDSACASA-N 1 0 252.383 2.241 10 0 CEAERO COCC[C@@H]([NH3+])c1nc(-c2ccc(F)c(F)c2)c[nH]1 ZINC000052811252 521834040 /nfs/dbraw/zinc/83/40/40/521834040.db2.gz KUHPJGICQHKWIH-LLVKDONJSA-N 1 0 267.279 2.391 10 0 CEAERO C[NH2+]C[C@@H](OC[C@@H]1CCCO1)c1cccc(F)c1 ZINC000050494230 522036171 /nfs/dbraw/zinc/03/61/71/522036171.db2.gz LXULQRJYVQBFJI-UONOGXRCSA-N 1 0 253.317 2.282 10 0 CEAERO C[NH2+]C[C@@H](OCCOC)c1ccccc1Br ZINC000050495931 522036181 /nfs/dbraw/zinc/03/61/81/522036181.db2.gz LXLNFGLLUIPPDB-GFCCVEGCSA-N 1 0 288.185 2.373 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccccc1[C@@H](C)O ZINC000049547331 522304213 /nfs/dbraw/zinc/30/42/13/522304213.db2.gz BIXKEZSHUJBKNF-GIPNMCIBSA-N 1 0 250.342 2.052 10 0 CEAERO C[NH2+][C@](C)(CCSc1cccc(Cl)c1)C(N)=O ZINC000054186486 522517490 /nfs/dbraw/zinc/51/74/90/522517490.db2.gz HTLHHHBALSXFFO-GFCCVEGCSA-N 1 0 272.801 2.286 10 0 CEAERO C[NH2+][C@](CSc1cc(C)ccc1C)(C(N)=O)C1CC1 ZINC000069187989 522532585 /nfs/dbraw/zinc/53/25/85/522532585.db2.gz OJDXJSZNYKOELV-HNNXBMFYSA-N 1 0 278.421 2.249 10 0 CEAERO CC(C)(C)[NH+]1CCC(NC(=O)Cc2cccc(N)c2)CC1 ZINC000052922728 518706080 /nfs/dbraw/zinc/70/60/80/518706080.db2.gz JCZUULOGPNNYLT-UHFFFAOYSA-N 1 0 289.423 2.190 10 0 CEAERO CC(C)(C)[NH2+]C[C@@H]1CC[C@H](Cn2cc(Cl)cn2)O1 ZINC000052577285 518760621 /nfs/dbraw/zinc/76/06/21/518760621.db2.gz GJKMQEUBZMCUCX-NWDGAFQWSA-N 1 0 271.792 2.472 10 0 CEAERO CC(C)(C)[NH2+]Cc1cccc(CN2CCS(=O)CC2)c1 ZINC000052516183 518766869 /nfs/dbraw/zinc/76/68/69/518766869.db2.gz DRGHKVNXRNNRHW-UHFFFAOYSA-N 1 0 294.464 2.139 10 0 CEAERO CC(C)(C)[NH2+]Cc1nnnn1-c1ccc2c(c1)CCC2 ZINC000054744958 518768524 /nfs/dbraw/zinc/76/85/24/518768524.db2.gz GMUOXRJANVQFJJ-UHFFFAOYSA-N 1 0 271.368 2.039 10 0 CEAERO CC(C)C[C@@H](CNC(=O)c1ccc2c[nH]nc2c1)[NH+](C)C ZINC000061670510 519211623 /nfs/dbraw/zinc/21/16/23/519211623.db2.gz KKUCDUOOVZSDFK-AWEZNQCLSA-N 1 0 288.395 2.269 10 0 CEAERO CC(C)C(=O)N1CCC([NH2+][C@@H](C)Cc2ccco2)CC1 ZINC000062771617 519458484 /nfs/dbraw/zinc/45/84/84/519458484.db2.gz GPRCPRUDLBCFCN-ZDUSSCGKSA-N 1 0 278.396 2.447 10 0 CEAERO CC(C)Cn1ccnc(Oc2cccc(C[NH3+])c2)c1=O ZINC000061770588 519523043 /nfs/dbraw/zinc/52/30/43/519523043.db2.gz KDXBSWASKUIKHI-UHFFFAOYSA-N 1 0 273.336 2.150 10 0 CEAERO CC(C)[NH+](CCn1ccc(=O)[nH]c1=S)C(C)C ZINC000052312540 519651528 /nfs/dbraw/zinc/65/15/28/519651528.db2.gz JKZACRMQOMEHJY-UHFFFAOYSA-N 1 0 255.387 2.025 10 0 CEAERO CC(C)N(Cc1cccs1)C(=O)c1cc[nH+]c(NN)c1 ZINC000051118394 519662014 /nfs/dbraw/zinc/66/20/14/519662014.db2.gz QAMBMEGVBKXADL-UHFFFAOYSA-N 1 0 290.392 2.480 10 0 CEAERO CC(C)CC[C@H](C)NS(=O)(=O)c1ccc(CC[NH3+])cc1 ZINC000069235039 519691419 /nfs/dbraw/zinc/69/14/19/519691419.db2.gz QSAIAJSOMQOOKK-ZDUSSCGKSA-N 1 0 298.452 2.291 10 0 CEAERO CC(C)CC[C@H](C)NS(=O)(=O)CCC1CC[NH2+]CC1 ZINC000069234731 519691449 /nfs/dbraw/zinc/69/14/49/519691449.db2.gz GKMQDLCCZHINMI-ZDUSSCGKSA-N 1 0 290.473 2.120 10 0 CEAERO CC(C)[NH2+]CCCc1nnc(CC(F)(F)F)o1 ZINC000050617465 519721345 /nfs/dbraw/zinc/72/13/45/519721345.db2.gz JEVNRVHSHQIAOT-UHFFFAOYSA-N 1 0 251.252 2.105 10 0 CEAERO CC(C)[NH2+]C[C@@H]1CCCCN1c1ncnc2c1CCC2 ZINC000061278284 519723131 /nfs/dbraw/zinc/72/31/31/519723131.db2.gz WHOTWJSULKPSNS-ZDUSSCGKSA-N 1 0 274.412 2.322 10 0 CEAERO CC(C)[NH2+]C[C@@H](C)N1CCN(c2ccccc2F)CC1 ZINC000052374650 519723217 /nfs/dbraw/zinc/72/32/17/519723217.db2.gz YTDQRIBZPAQCKF-CQSZACIVSA-N 1 0 279.403 2.334 10 0 CEAERO CC(C)[NH2+]C[C@@H]1CCCN(c2nccn(C(C)C)c2=O)C1 ZINC000061775623 519723634 /nfs/dbraw/zinc/72/36/34/519723634.db2.gz ZLGAJGGIHNQPOS-AWEZNQCLSA-N 1 0 292.427 2.039 10 0 CEAERO CC(C)[NH2+]C[C@@H]1CC[C@@H](Cn2ccc(C(F)(F)F)n2)O1 ZINC000052592661 519723860 /nfs/dbraw/zinc/72/38/60/519723860.db2.gz NRROJBSYDOQPPX-QWRGUYRKSA-N 1 0 291.317 2.448 10 0 CEAERO CC(C)[NH2+]C[C@H]1CC[C@@H](Cn2cc(Cl)cn2)O1 ZINC000052577280 519725891 /nfs/dbraw/zinc/72/58/91/519725891.db2.gz SNDIZVFVNQYWAN-NEPJUHHUSA-N 1 0 257.765 2.082 10 0 CEAERO CC(C)C[NH+]1CCN(Cc2ccccc2C(N)=S)CC1 ZINC000055079501 519727011 /nfs/dbraw/zinc/72/70/11/519727011.db2.gz LODKRRFCQAZJQM-UHFFFAOYSA-N 1 0 291.464 2.094 10 0 CEAERO CC(C)[NH2+]Cc1nccn1CC(=O)Nc1ccc(F)cc1 ZINC000051005665 519729255 /nfs/dbraw/zinc/72/92/55/519729255.db2.gz LFASDMQBHPZGDQ-UHFFFAOYSA-N 1 0 290.342 2.159 10 0 CEAERO CC(C)N[C@@](C)(C[C@H](C)[N@@H+]1CCCCC[C@@H]1C)C(N)=O ZINC000068647926 519736373 /nfs/dbraw/zinc/73/63/73/519736373.db2.gz CDQJGKXOJLBCSY-DZKIICNBSA-N 1 0 283.460 2.272 10 0 CEAERO CC(C)[NH2+][C@](C)(C[C@@H](C)n1ncc2ccccc21)C(N)=O ZINC000068649757 519740260 /nfs/dbraw/zinc/74/02/60/519740260.db2.gz WOHCXZHPSGYFDF-MLGOLLRUSA-N 1 0 288.395 2.229 10 0 CEAERO CC(C)C[NH2+]CCCc1cnn(-c2ccc(Cl)nn2)c1 ZINC000054670227 519744030 /nfs/dbraw/zinc/74/40/30/519744030.db2.gz RUBGLQKTDDMBBF-UHFFFAOYSA-N 1 0 293.802 2.494 10 0 CEAERO CC(C)C[NH2+]Cc1cc(Cl)ccc1OCCC(N)=O ZINC000062730904 519746773 /nfs/dbraw/zinc/74/67/73/519746773.db2.gz KZEVYSYQTRTEMY-UHFFFAOYSA-N 1 0 284.787 2.340 10 0 CEAERO CC(C)C[NH2+]Cc1ccc(N2CCOC[C@@H]2C)nc1 ZINC000051444136 519746949 /nfs/dbraw/zinc/74/69/49/519746949.db2.gz UUXFCMGCLRGDMS-ZDUSSCGKSA-N 1 0 263.385 2.052 10 0 CEAERO CC(C)C[NH2+]Cc1cc2c(cc1OCC(C)(C)O)OCO2 ZINC000062733941 519746978 /nfs/dbraw/zinc/74/69/78/519746978.db2.gz ARXHSFQOKLWMTN-UHFFFAOYSA-N 1 0 295.379 2.311 10 0 CEAERO CC(C)C[NH2+]Cc1ccc(N(C)CC(C)C)nn1 ZINC000051441886 519747157 /nfs/dbraw/zinc/74/71/57/519747157.db2.gz WIPAYSYYCCVILV-UHFFFAOYSA-N 1 0 250.390 2.314 10 0 CEAERO CC(C)C[NH2+]Cc1ccccc1N1CCC[C@@H](C(N)=O)C1 ZINC000062734029 519747802 /nfs/dbraw/zinc/74/78/02/519747802.db2.gz PZPPKBLFZBHGQE-OAHLLOKOSA-N 1 0 289.423 2.134 10 0 CEAERO CC(C)C[NH2+]Cc1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000062742434 519748679 /nfs/dbraw/zinc/74/86/79/519748679.db2.gz KBIMDTWYZRPIES-UHFFFAOYSA-N 1 0 275.352 2.470 10 0 CEAERO CC(C)C[C@@H](CN(C)C)[NH2+][C@@H]1CCCCC[C@@H]1O ZINC000049555483 519775993 /nfs/dbraw/zinc/77/59/93/519775993.db2.gz IENZHONZQZGUBZ-ZNMIVQPWSA-N 1 0 256.434 2.246 10 0 CEAERO CC(C)C[C@@H](C[NH+](C)C)Nc1nccn(C(C)(C)C)c1=O ZINC000061765419 519776222 /nfs/dbraw/zinc/77/62/22/519776222.db2.gz BNAQRAIAXUEPNL-ZDUSSCGKSA-N 1 0 294.443 2.387 10 0 CEAERO CC(C)Oc1nc(N2CC[C@@H]([NH+]3CCCC3)C2)ccc1N ZINC000062975984 519785746 /nfs/dbraw/zinc/78/57/46/519785746.db2.gz YUMASIQXKWSJOU-CYBMUJFWSA-N 1 0 290.411 2.126 10 0 CEAERO CC(C)[C@@H](CN(C)C)[NH2+][C@@H]1CC(=O)N(C)c2ccccc21 ZINC000049199203 519793913 /nfs/dbraw/zinc/79/39/13/519793913.db2.gz IOOJREFOWQUMFN-HUUCEWRRSA-N 1 0 289.423 2.270 10 0 CEAERO CC(C)[C@@H](CNC(=O)c1ccc(Cl)cc1N)[NH+](C)C ZINC000062822938 519794701 /nfs/dbraw/zinc/79/47/01/519794701.db2.gz AFCAYSUBBMGFBW-CYBMUJFWSA-N 1 0 283.803 2.238 10 0 CEAERO CC(C)[C@@H]([NH2+]Cc1cnn(CCO)c1)c1ccccc1 ZINC000068690843 519799256 /nfs/dbraw/zinc/79/92/56/519799256.db2.gz LIHPJLQQRDIMAK-MRXNPFEDSA-N 1 0 273.380 2.362 10 0 CEAERO CC(C)[C@@H]1CC[C@H](O)[C@H]([N@@H+]2CCOC(C)(C)C2)C1 ZINC000054558289 519803532 /nfs/dbraw/zinc/80/35/32/519803532.db2.gz XMGMPRBINHCYFX-MCIONIFRSA-N 1 0 255.402 2.283 10 0 CEAERO CC(C)[C@@H]1C[N@H+](CC2CCOCC2)[C@@H](C(C)C)CN1 ZINC000068702893 519804410 /nfs/dbraw/zinc/80/44/10/519804410.db2.gz JKMSWWOFELBSGR-JKSUJKDBSA-N 1 0 268.445 2.367 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@H](C)CN1CCOc1ccccc1 ZINC000062660341 519804779 /nfs/dbraw/zinc/80/47/79/519804779.db2.gz YGDLZTQUCKNPSP-ZBFHGGJFSA-N 1 0 262.397 2.384 10 0 CEAERO CC(C)[C@H](C[NH2+]C1CC1)N(C)C[C@@H]1CCCCO1 ZINC000052507106 519815902 /nfs/dbraw/zinc/81/59/02/519815902.db2.gz FQQZSJVWFXDOIL-GJZGRUSLSA-N 1 0 254.418 2.264 10 0 CEAERO CCC[NH+]1CCC(Nc2ccc(N)c(OCC)n2)CC1 ZINC000049554952 519847298 /nfs/dbraw/zinc/84/72/98/519847298.db2.gz MBFWFSVOMHDGAZ-UHFFFAOYSA-N 1 0 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1 0 278.396 2.436 10 0 CEAERO CCC[C@H]1CN(Cc2ncccn2)C2(CCCC2)C[NH2+]1 ZINC000068702235 521220083 /nfs/dbraw/zinc/22/00/83/521220083.db2.gz TXEAZBCITOXPSK-AWEZNQCLSA-N 1 0 274.412 2.363 10 0 CEAERO CCC[C@H]1CN(CCOCCOC)[C@H](C(C)(C)C)C[NH2+]1 ZINC000068701267 521221186 /nfs/dbraw/zinc/22/11/86/521221186.db2.gz KMLHPPKNCURPRY-GJZGRUSLSA-N 1 0 286.460 2.138 10 0 CEAERO CCC[C@H]1CN(Cc2ncccn2)[C@H]([C@@H](C)CC)C[NH2+]1 ZINC000068700860 521221891 /nfs/dbraw/zinc/22/18/91/521221891.db2.gz GYLAASOTLXGLOU-KKUMJFAQSA-N 1 0 276.428 2.465 10 0 CEAERO CCN(C[C@@H]1CCCO1)c1ccccc1C[NH2+]CCOC ZINC000062737158 521228916 /nfs/dbraw/zinc/22/89/16/521228916.db2.gz YDQGEJWQDNJWIV-INIZCTEOSA-N 1 0 292.423 2.428 10 0 CEAERO CCOc1ccc([C@H]([NH2+]C)[C@@H]2COCCO2)cc1OCC ZINC000055299469 521264069 /nfs/dbraw/zinc/26/40/69/521264069.db2.gz JTQDPKPSUUQUCI-HOTGVXAUSA-N 1 0 295.379 2.160 10 0 CEAERO CCOc1ccc([C@H]2[C@H]([NH3+])CCCC(=O)N2CC)cc1 ZINC000070294970 521275845 /nfs/dbraw/zinc/27/58/45/521275845.db2.gz KQQITTSAVJHADP-ZBFHGGJFSA-N 1 0 276.380 2.486 10 0 CEAERO CCC[C@]1(C(=O)N(CC)C[C@@H]2CCOC2)CCC[NH2+]C1 ZINC000062857856 521296862 /nfs/dbraw/zinc/29/68/62/521296862.db2.gz UOOJBTLESRXRSF-HOCLYGCPSA-N 1 0 282.428 2.041 10 0 CEAERO CCC[C@]1(C(=O)N(C)Cc2ccoc2C)CC[NH2+]C1 ZINC000062901238 521296875 /nfs/dbraw/zinc/29/68/75/521296875.db2.gz HJJAQDMMJFRHOT-HNNXBMFYSA-N 1 0 264.369 2.326 10 0 CEAERO CCCc1ccc(C(=O)CN2CCC([NH3+])CC2)cc1 ZINC000050158353 521387785 /nfs/dbraw/zinc/38/77/85/521387785.db2.gz KGWINGREYSRASG-UHFFFAOYSA-N 1 0 260.381 2.245 10 0 CEAERO CCOc1cccc(NC(=O)[C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000049570452 521397098 /nfs/dbraw/zinc/39/70/98/521397098.db2.gz CJYLXSYYHXDZHV-RYUDHWBXSA-N 1 0 262.353 2.412 10 0 CEAERO CCOc1cccc(OC[C@H]2CC[C@@H](C[NH2+]C)O2)c1 ZINC000052594235 521403003 /nfs/dbraw/zinc/40/30/03/521403003.db2.gz JWRBMXVDCBMZDO-LSDHHAIUSA-N 1 0 265.353 2.231 10 0 CEAERO CCOC(=O)c1c(C2CC2)csc1NC(=O)[C@@H](C)[NH2+]C ZINC000052395748 521405015 /nfs/dbraw/zinc/40/50/15/521405015.db2.gz RFEVZTVZJSRVFH-MRVPVSSYSA-N 1 0 296.392 2.349 10 0 CEAERO CC[N@@H+](Cc1nc2c(cnn2C)c(Cl)n1)CC1CC1 ZINC000069238121 521452530 /nfs/dbraw/zinc/45/25/30/521452530.db2.gz HIEKMYNQBIKRQF-UHFFFAOYSA-N 1 0 279.775 2.249 10 0 CEAERO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055089557 521583594 /nfs/dbraw/zinc/58/35/94/521583594.db2.gz RGEIOHGMZHWSEC-ZJUUUORDSA-N 1 0 266.307 2.305 10 0 CEAERO CCOc1nc(N[C@@H](CC(C)C)C[NH+](C)C)ccc1N ZINC000049555011 521606520 /nfs/dbraw/zinc/60/65/20/521606520.db2.gz KELTYFQUNZBAMN-LBPRGKRZSA-N 1 0 280.416 2.451 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)ccc2NC)C1 ZINC000053003480 521623471 /nfs/dbraw/zinc/62/34/71/521623471.db2.gz BVTKWYCYKSJZSC-CYBMUJFWSA-N 1 0 275.396 2.251 10 0 CEAERO CCOc1ncccc1NC(=O)[C@@]1(CC)CCC[NH2+]C1 ZINC000062855282 521624711 /nfs/dbraw/zinc/62/47/11/521624711.db2.gz DUOSKCSLMPLVTC-HNNXBMFYSA-N 1 0 277.368 2.199 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2ccc(C(N)=S)cc2)C1 ZINC000049224596 521625180 /nfs/dbraw/zinc/62/51/80/521625180.db2.gz MIGUFKCCTDFDFK-CYBMUJFWSA-N 1 0 263.410 2.217 10 0 CEAERO CCS(=O)(=O)CC[C@@H](C[NH3+])Cc1ccc(Cl)cc1 ZINC000052947612 521645253 /nfs/dbraw/zinc/64/52/53/521645253.db2.gz NIZDMSNZLUZSTQ-GFCCVEGCSA-N 1 0 289.828 2.282 10 0 CEAERO CCC[NH+](CCC)CC[C@H](NC(C)C)C(=O)OCC ZINC000062442064 521647218 /nfs/dbraw/zinc/64/72/18/521647218.db2.gz ONRLQRDTOGYISU-AWEZNQCLSA-N 1 0 272.433 2.428 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C)ccc1NC ZINC000053000603 521656173 /nfs/dbraw/zinc/65/61/73/521656173.db2.gz ZIKBJUZYGWYNIP-ZDUSSCGKSA-N 1 0 275.396 2.251 10 0 CEAERO CCC1(C(=O)NCc2ccsc2)CC[NH2+]CC1 ZINC000063154678 521668439 /nfs/dbraw/zinc/66/84/39/521668439.db2.gz LOODCUONAOGELZ-UHFFFAOYSA-N 1 0 252.383 2.144 10 0 CEAERO CCC1(C)CC[NH+](C[C@](NC)(C(=O)OC)C2CC2)CC1 ZINC000069232495 521678043 /nfs/dbraw/zinc/67/80/43/521678043.db2.gz QKXYKAXGVDXCAM-MRXNPFEDSA-N 1 0 282.428 2.040 10 0 CEAERO CCCN1C(=O)C[C@H]([NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000070293310 521699853 /nfs/dbraw/zinc/69/98/53/521699853.db2.gz LJAAIIGCFGLBLU-GWCFXTLKSA-N 1 0 272.270 2.115 10 0 CEAERO CCN1CCO[C@H](C[NH2+]C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000070288020 521709062 /nfs/dbraw/zinc/70/90/62/521709062.db2.gz UOXSDEYFLGBQNU-KGLIPLIRSA-N 1 0 286.778 2.460 10 0 CEAERO CCc1cccc(NC(=O)CN2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000163834316 521750409 /nfs/dbraw/zinc/75/04/09/521750409.db2.gz DFBPHXHESSXGLR-DZGCQCFKSA-N 1 0 289.423 2.104 10 0 CEAERO CC[C@H](C)SC[C@@]([NH2+]C(C)C)(C(N)=O)C1CC1 ZINC000069185083 521782028 /nfs/dbraw/zinc/78/20/28/521782028.db2.gz VAHRXQKNFNFZNO-GWCFXTLKSA-N 1 0 258.431 2.150 10 0 CEAERO CCc1cccc(O[C@@H](C)C[C@](C)([NH2+]C2CC2)C(N)=O)c1 ZINC000068654354 521782864 /nfs/dbraw/zinc/78/28/64/521782864.db2.gz MBSMALPVJGISAL-SJCJKPOMSA-N 1 0 290.407 2.402 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc2cnn(CC)c2c1 ZINC000153393324 521837671 /nfs/dbraw/zinc/83/76/71/521837671.db2.gz SQGHJOIUMKONID-IINYFYTJSA-N 1 0 274.368 2.368 10 0 CEAERO COC(=O)c1cc(C[NH2+]C2(CO)CCC(C)CC2)oc1C ZINC000053113903 521854912 /nfs/dbraw/zinc/85/49/12/521854912.db2.gz XYWVURFXLIXXEV-UHFFFAOYSA-N 1 0 295.379 2.405 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N[C@@H](C)c1cc(C)ccc1OC ZINC000061300778 521937013 /nfs/dbraw/zinc/93/70/13/521937013.db2.gz RDUUZGPUGRQGDI-NSHDSACASA-N 1 0 264.369 2.179 10 0 CEAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(N(C)C)c(Cl)c1 ZINC000061316761 521942741 /nfs/dbraw/zinc/94/27/41/521942741.db2.gz PTHWTVHOQPMASE-UHFFFAOYSA-N 1 0 269.776 2.343 10 0 CEAERO C[NH2+]C1CCC(NC(=O)[C@@H](OC)c2ccccc2)CC1 ZINC000050437399 521946738 /nfs/dbraw/zinc/94/67/38/521946738.db2.gz MNXRQUXKUSDDHK-NRXISQOPSA-N 1 0 276.380 2.021 10 0 CEAERO COCC[C@H]([NH3+])CN(Cc1ccccc1)C(C)C ZINC000052810543 521951160 /nfs/dbraw/zinc/95/11/60/521951160.db2.gz YIRYAOJRYHUULH-HNNXBMFYSA-N 1 0 250.386 2.261 10 0 CEAERO CC[C@@H](C)C[NH2+]C[C@@H](O)c1ccc2c(c1)OCO2 ZINC000054471273 521995230 /nfs/dbraw/zinc/99/52/30/521995230.db2.gz HLLGGXOIBMCBLY-ZYHUDNBSSA-N 1 0 251.326 2.084 10 0 CEAERO CC[C@@H](C)C[C@@H](CC)[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000069142769 522021740 /nfs/dbraw/zinc/02/17/40/522021740.db2.gz LGWPAXYXMQSBKS-JHJVBQTASA-N 1 0 261.431 2.368 10 0 CEAERO C[NH2+]C[C@@H](C)c1c(C)nc(Cc2ccncc2)nc1C ZINC000054854615 522031140 /nfs/dbraw/zinc/03/11/40/522031140.db2.gz RBTJQMZZZPQJAA-LLVKDONJSA-N 1 0 270.380 2.402 10 0 CEAERO C[NH2+]C[C@@H](Cc1cc(C)ccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000052950088 522034896 /nfs/dbraw/zinc/03/48/96/522034896.db2.gz SHFWKYOIWKGPRX-GDBMZVCRSA-N 1 0 295.448 2.116 10 0 CEAERO C[NH2+]C[C@@H]1CC[C@H](CN2CCCc3ccccc32)O1 ZINC000052421616 522061842 /nfs/dbraw/zinc/06/18/42/522061842.db2.gz COFBLLUVBDIHMG-LSDHHAIUSA-N 1 0 260.381 2.206 10 0 CEAERO C[NH2+]C[C@@H]1CC[C@H](COc2ccc(F)c(F)c2)O1 ZINC000052700691 522062222 /nfs/dbraw/zinc/06/22/22/522062222.db2.gz POKWBMQQQZXOAB-WDEREUQCSA-N 1 0 257.280 2.111 10 0 CEAERO C[NH2+]C[C@@]1(CN(C)c2ccc(C)cc2C)CCOC1 ZINC000051254097 522063794 /nfs/dbraw/zinc/06/37/94/522063794.db2.gz JCHXJLZJAPRNTD-MRXNPFEDSA-N 1 0 262.397 2.366 10 0 CEAERO C[NH2+]C[C@H](C)N(C)Cc1cccc(Br)c1 ZINC000052545087 522073147 /nfs/dbraw/zinc/07/31/47/522073147.db2.gz KBSQZKCXTWFGGS-JTQLQIEISA-N 1 0 271.202 2.489 10 0 CEAERO C[NH2+]C[C@H](OCC1CCOCC1)c1ccccc1OC ZINC000052150302 522075988 /nfs/dbraw/zinc/07/59/88/522075988.db2.gz XDYCVDAXACLWFZ-INIZCTEOSA-N 1 0 279.380 2.399 10 0 CEAERO C[NH2+]C[C@H](c1ccccc1)N1CCCSCC1 ZINC000052371183 522078529 /nfs/dbraw/zinc/07/85/29/522078529.db2.gz ACLDLWZXRMXMSK-CQSZACIVSA-N 1 0 250.411 2.386 10 0 CEAERO CC[C@@H](C)N(CCOC)C(=O)[C@H](C[NH3+])c1ccccc1 ZINC000061612986 522088921 /nfs/dbraw/zinc/08/89/21/522088921.db2.gz AXJUSWXEBPOZEL-UKRRQHHQSA-N 1 0 278.396 2.002 10 0 CEAERO CC[C@@H](C)N(CCOC)c1ncc(C[NH2+]C)s1 ZINC000054908613 522094383 /nfs/dbraw/zinc/09/43/83/522094383.db2.gz CETFXMZMBZANDC-SNVBAGLBSA-N 1 0 257.403 2.114 10 0 CEAERO C[NH2+]C[C@H]1CC[C@H](COc2ccc(F)c(F)c2)O1 ZINC000052700694 522095877 /nfs/dbraw/zinc/09/58/77/522095877.db2.gz POKWBMQQQZXOAB-GHMZBOCLSA-N 1 0 257.280 2.111 10 0 CEAERO C[NH2+]C[C@H]1CC[C@H](COc2cccc(Cl)c2)O1 ZINC000052674531 522096577 /nfs/dbraw/zinc/09/65/77/522096577.db2.gz QBCZPTBSBQXZNJ-CHWSQXEVSA-N 1 0 255.745 2.486 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc(Cl)ccc2N)CC1 ZINC000055063482 522116382 /nfs/dbraw/zinc/11/63/82/522116382.db2.gz BGAXNSKEUBWVPQ-LLVKDONJSA-N 1 0 295.814 2.479 10 0 CEAERO C[NH2+]Cc1ccc(OCc2ncon2)c(Br)c1 ZINC000062700777 522125437 /nfs/dbraw/zinc/12/54/37/522125437.db2.gz LRJHPNMRHSHOMC-UHFFFAOYSA-N 1 0 298.140 2.131 10 0 CEAERO CC[C@H](CC[NH3+])NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000054162114 522128784 /nfs/dbraw/zinc/12/87/84/522128784.db2.gz BYELZSVZQDTPNT-MHCOZEDOSA-N 1 0 279.428 2.382 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(c2ccccc2C(N)=S)CC1 ZINC000055080609 522133321 /nfs/dbraw/zinc/13/33/21/522133321.db2.gz FUHJUYKSYCLPOA-GFCCVEGCSA-N 1 0 277.437 2.241 10 0 CEAERO C[NH2+]Cc1nc(CN(CC(C)C)C2CC2)cs1 ZINC000052515513 522150752 /nfs/dbraw/zinc/15/07/52/522150752.db2.gz POSRWJCMGOLZEF-UHFFFAOYSA-N 1 0 253.415 2.483 10 0 CEAERO C[NH2+]Cc1nnc(-c2c(F)c(F)c(F)c(F)c2F)o1 ZINC000050615444 522155174 /nfs/dbraw/zinc/15/51/74/522155174.db2.gz JTUKMWCJOKISOM-UHFFFAOYSA-N 1 0 279.168 2.152 10 0 CEAERO CC[C@H](C[NH2+]C1CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000052418194 522191255 /nfs/dbraw/zinc/19/12/55/522191255.db2.gz VDNKWRLHEFPXIO-MRXNPFEDSA-N 1 0 291.414 2.478 10 0 CEAERO CC[C@@H](C)[NH2+][C@H](C(N)=O)c1ccc2ncccc2c1 ZINC000069503199 522232885 /nfs/dbraw/zinc/23/28/85/522232885.db2.gz KTUWABCOQNARLR-YGRLFVJLSA-N 1 0 257.337 2.149 10 0 CEAERO CC[C@@H](C)[NH2+][C@@H](C(N)=O)c1cccc2cccnc21 ZINC000069503195 522233855 /nfs/dbraw/zinc/23/38/55/522233855.db2.gz PSQJQSCWTLLARY-QMTHXVAHSA-N 1 0 257.337 2.149 10 0 CEAERO COc1cc(C)ccc1OCc1cc[nH+]c(NN)c1 ZINC000052730335 522282415 /nfs/dbraw/zinc/28/24/15/522282415.db2.gz IFHDMHZMZRYPFL-UHFFFAOYSA-N 1 0 259.309 2.263 10 0 CEAERO CN(C)c1ccccc1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054307289 522293558 /nfs/dbraw/zinc/29/35/58/522293558.db2.gz XFLVIDYSSZVHFN-LBPRGKRZSA-N 1 0 261.369 2.081 10 0 CEAERO CC[C@H]([NH3+])Cc1c(C)nn(CCc2ccccn2)c1C ZINC000062803321 522330779 /nfs/dbraw/zinc/33/07/79/522330779.db2.gz BXNLWZZURCLGEC-AWEZNQCLSA-N 1 0 272.396 2.417 10 0 CEAERO CC[C@H]([NH3+])Cc1cnn(CCCOCC(F)(F)F)c1 ZINC000054741657 522335457 /nfs/dbraw/zinc/33/54/57/522335457.db2.gz LICCWNMJHZGGQL-NSHDSACASA-N 1 0 279.306 2.132 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccc(F)cc1)N1CCCOCC1 ZINC000061914083 522340057 /nfs/dbraw/zinc/34/00/57/522340057.db2.gz VAMJEZVVTSVOJP-LSDHHAIUSA-N 1 0 266.360 2.326 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccco1)N1CCC[C@@H]1CCCO ZINC000052757408 522340232 /nfs/dbraw/zinc/34/02/32/522340232.db2.gz QHKJBFGIVYYVLU-IPYPFGDCSA-N 1 0 266.385 2.295 10 0 CEAERO CC[C@H]([NH3+])[C@@](O)(c1cc(OC)ccc1OC)C(F)(F)F ZINC000062784739 522342132 /nfs/dbraw/zinc/34/21/32/522342132.db2.gz IPRBNDSWCBOPEY-RYUDHWBXSA-N 1 0 293.285 2.191 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1cccnc1)N1CCC[C@@H]1CCCO ZINC000052757668 522344607 /nfs/dbraw/zinc/34/46/07/522344607.db2.gz PSNGPODLHDLNEG-PMPSAXMXSA-N 1 0 277.412 2.097 10 0 CEAERO COc1cc(C[NH3+])cc(Cl)c1OC[C@@H](O)C(F)(F)F ZINC000068875728 522363517 /nfs/dbraw/zinc/36/35/17/522363517.db2.gz CWFBKDYIZWFWNU-SECBINFHSA-N 1 0 299.676 2.109 10 0 CEAERO C[NH2+][C@@H](Cn1ncccc1=O)C12CC3CC(CC(C3)C1)C2 ZINC000061402222 522365601 /nfs/dbraw/zinc/36/56/01/522365601.db2.gz DUPHZLGTQHIAOF-RDVIWEACSA-N 1 0 287.407 2.048 10 0 CEAERO CCc1nc(N2CCCSCC2)sc1C[NH3+] ZINC000055002175 522386119 /nfs/dbraw/zinc/38/61/19/522386119.db2.gz LUZODVGINPHGOW-UHFFFAOYSA-N 1 0 257.428 2.108 10 0 CEAERO CCc1nc(N2CCO[C@@H]3CCC[C@@H]32)sc1C[NH2+]C ZINC000054999095 522387589 /nfs/dbraw/zinc/38/75/89/522387589.db2.gz MXAUWZZISFPEQP-NWDGAFQWSA-N 1 0 281.425 2.183 10 0 CEAERO C[NH2+][C@@H]1CCCN(c2ccc(Br)cn2)C1 ZINC000053204914 536366039 /nfs/dbraw/zinc/36/60/39/536366039.db2.gz AVOCNMDXYHKRON-SNVBAGLBSA-N 1 0 270.174 2.032 10 0 CEAERO C[NH2+][C@@](CO[C@@H]1C[C@@H](C)CC(C)(C)C1)(C(N)=O)C1CC1 ZINC000069195635 522428475 /nfs/dbraw/zinc/42/84/75/522428475.db2.gz KIFJPQIPGRPNRL-AXAPSJFSSA-N 1 0 282.428 2.071 10 0 CEAERO C[NH2+][C@@](CSCc1ccccc1C)(C(N)=O)C1CC1 ZINC000069189776 522432154 /nfs/dbraw/zinc/43/21/54/522432154.db2.gz UHDTYFSPTTYGPG-OAHLLOKOSA-N 1 0 278.421 2.082 10 0 CEAERO COc1cc(C[NH2+]CC(C)C)ccc1O[C@@H]1CCOC1=O ZINC000062731876 522444117 /nfs/dbraw/zinc/44/41/17/522444117.db2.gz VYWNHXBTLZXUPT-CQSZACIVSA-N 1 0 293.363 2.135 10 0 CEAERO C[NH2+][C@H](C)c1ccc(F)cc1O[C@@H](C)C(=O)NC(C)C ZINC000062746491 522447028 /nfs/dbraw/zinc/44/70/28/522447028.db2.gz DAKVXMDTIRDYNR-MNOVXSKESA-N 1 0 282.359 2.398 10 0 CEAERO C[NH2+][C@H](C)c1ccc(F)cc1O[C@H](C)C(=O)OC ZINC000062746145 522447380 /nfs/dbraw/zinc/44/73/80/522447380.db2.gz AWEPHKQBYOKRNA-RKDXNWHRSA-N 1 0 255.289 2.046 10 0 CEAERO C[NH2+][C@H](C)c1ccc(F)cc1OCc1noc(C)n1 ZINC000062746220 522447493 /nfs/dbraw/zinc/44/74/93/522447493.db2.gz DHVLKLWBISGPJE-MRVPVSSYSA-N 1 0 265.288 2.377 10 0 CEAERO C[NH2+][C@H](CN1CCN(C)C1=O)c1ccc2ccccc2c1 ZINC000052885686 522465848 /nfs/dbraw/zinc/46/58/48/522465848.db2.gz ICCLATCUMSNECP-MRXNPFEDSA-N 1 0 283.375 2.468 10 0 CEAERO C[NH2+][C@H](c1ccc(OC)cc1OC)C1CCOCC1 ZINC000061671659 522483133 /nfs/dbraw/zinc/48/31/33/522483133.db2.gz MYAKGBBHQMLPLL-HNNXBMFYSA-N 1 0 265.353 2.391 10 0 CEAERO CCc1nc2cc(N)ccc2n1C[C@H]1CC[N@H+](C)C1 ZINC000052853038 522487332 /nfs/dbraw/zinc/48/73/32/522487332.db2.gz XMDXTKKUIXMOME-NSHDSACASA-N 1 0 258.369 2.133 10 0 CEAERO CC[C@@H](CC[NH3+])NC(=O)c1ccc2ncccc2c1 ZINC000061410680 522498206 /nfs/dbraw/zinc/49/82/06/522498206.db2.gz JEWFRGKAWGFFNA-ZDUSSCGKSA-N 1 0 257.337 2.092 10 0 CEAERO CCc1nc2ccccc2n1[C@H]1COCC[C@H]1[NH2+]C ZINC000062807462 522506367 /nfs/dbraw/zinc/50/63/67/522506367.db2.gz PQFSJIZSGGOHCN-RISCZKNCSA-N 1 0 259.353 2.148 10 0 CEAERO C[NH2+][C@](C)(C[C@@H](C)Oc1cccc2ccccc21)C(N)=O ZINC000068656752 522521443 /nfs/dbraw/zinc/52/14/43/522521443.db2.gz WALWPZMJMJDTFP-SJKOYZFVSA-N 1 0 286.375 2.461 10 0 CEAERO C[NH2+][C@](C)(C[C@H](C)Oc1cccc(C(C)C)c1)C(N)=O ZINC000068655341 522522815 /nfs/dbraw/zinc/52/28/15/522522815.db2.gz ZVSKHCPWVVVPBE-BLLLJJGKSA-N 1 0 278.396 2.431 10 0 CEAERO CC[C@@H](C[NH3+])Oc1cccc(I)c1 ZINC000052696401 522527955 /nfs/dbraw/zinc/52/79/55/522527955.db2.gz HVVVGBLWFAKZDZ-VIFPVBQESA-N 1 0 291.132 2.407 10 0 CEAERO COC[C@H](C)N(C)c1ncc(C[NH2+]CC(C)C)s1 ZINC000054906742 522597562 /nfs/dbraw/zinc/59/75/62/522597562.db2.gz ZRIVOSLMLXHDJX-NSHDSACASA-N 1 0 271.430 2.360 10 0 CEAERO COc1cc(F)ccc1N[C@H]1C[NH+]2CCC1CC2 ZINC000049564013 522617124 /nfs/dbraw/zinc/61/71/24/522617124.db2.gz MWDPGYHWOIKFDZ-ZDUSSCGKSA-N 1 0 250.317 2.340 10 0 CEAERO CNc1ccc(Cl)cc1C(=O)NC[C@@H](C)[NH+](C)C ZINC000050780028 522627086 /nfs/dbraw/zinc/62/70/86/522627086.db2.gz LKUIVSHWMHYCLI-SECBINFHSA-N 1 0 269.776 2.062 10 0 CEAERO CC[C@H]([NH2+]Cc1ccc(OCC(N)=O)cc1)C(C)C ZINC000049126706 522650538 /nfs/dbraw/zinc/65/05/38/522650538.db2.gz DBAXDMNVSJSVDQ-AWEZNQCLSA-N 1 0 264.369 2.075 10 0 CEAERO C[N@H+](CC1CCCCC1)CC1(CO)CCOCC1 ZINC000052199880 522655654 /nfs/dbraw/zinc/65/56/54/522655654.db2.gz HNLGWJQGIZSTPH-UHFFFAOYSA-N 1 0 255.402 2.288 10 0 CEAERO COC1CCN(c2nc(C3CC3)c(C[NH3+])s2)CC1 ZINC000069146986 522709399 /nfs/dbraw/zinc/70/93/99/522709399.db2.gz KIHUCRXGZNSXLB-UHFFFAOYSA-N 1 0 267.398 2.094 10 0 CEAERO C[N@H+](CCCNC[C@@H](O)C(F)(F)F)C1CCCCC1 ZINC000068879273 522773990 /nfs/dbraw/zinc/77/39/90/522773990.db2.gz XFJZGVVDGGWXJZ-GFCCVEGCSA-N 1 0 282.350 2.154 10 0 CEAERO CCC1N=NC(=S)N1[C@@H](C)C[NH+]1CCCCC1 ZINC000049502270 522781063 /nfs/dbraw/zinc/78/10/63/522781063.db2.gz YGVJSZHZOAZJJY-JTQLQIEISA-N 1 0 254.403 2.176 10 0 CEAERO COC(=O)C1([NH2+]CC2CC2)C2CC3CC(C2)CC1C3 ZINC000055026722 522856713 /nfs/dbraw/zinc/85/67/13/522856713.db2.gz YQFUQENXMJGCAS-UHFFFAOYSA-N 1 0 263.381 2.354 10 0 CEAERO CN(CC[NH2+]Cc1ccccc1)C[C@@H]1CCCCO1 ZINC000053391700 522866902 /nfs/dbraw/zinc/86/69/02/522866902.db2.gz 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CC[C@@H]1CN(c2nc(C)c([C@@H](C)[NH2+]C)s2)CCO1 ZINC000054903567 523472731 /nfs/dbraw/zinc/47/27/31/523472731.db2.gz TZSUBHKRERWLOU-MWLCHTKSSA-N 1 0 269.414 2.347 10 0 CEAERO CN(Cc1ccsc1)[C@@]1(C[NH3+])CCCSC1 ZINC000061590038 523487102 /nfs/dbraw/zinc/48/71/02/523487102.db2.gz KGEXGRGVPXJNJJ-GFCCVEGCSA-N 1 0 256.440 2.404 10 0 CEAERO CN(Cc1ccsc1)Cc1csc(C[NH3+])n1 ZINC000052457277 523487574 /nfs/dbraw/zinc/48/75/74/523487574.db2.gz RHJIWWZJNVKZTL-UHFFFAOYSA-N 1 0 253.396 2.295 10 0 CEAERO CC[C@@H]1COCCN1[C@H](C[NH3+])CCc1ccccc1 ZINC000061624711 523501612 /nfs/dbraw/zinc/50/16/12/523501612.db2.gz CSWYAYDWBORXRD-CVEARBPZSA-N 1 0 262.397 2.057 10 0 CEAERO CC[C@]1(C(=O)N2Cc3ccccc3C2)CCC[NH2+]C1 ZINC000062860820 523537563 /nfs/dbraw/zinc/53/75/63/523537563.db2.gz ABTDPWCXMVGUBY-INIZCTEOSA-N 1 0 258.365 2.309 10 0 CEAERO CCn1ccnc1COc1c(C[NH2+]C)cccc1OC ZINC000054743535 523541809 /nfs/dbraw/zinc/54/18/09/523541809.db2.gz MYPPFNSKLBLZCT-UHFFFAOYSA-N 1 0 275.352 2.210 10 0 CEAERO COCC[N@H+](C)CCN[C@H](C)c1c(F)cccc1F ZINC000061375081 523610486 /nfs/dbraw/zinc/61/04/86/523610486.db2.gz WKSABRLSFCGMPJ-LLVKDONJSA-N 1 0 272.339 2.194 10 0 CEAERO COCC[N@H+](C)CCNc1ncccc1C(F)(F)F ZINC000061379747 523617542 /nfs/dbraw/zinc/61/75/42/523617542.db2.gz LMEJUFGUZFJLRK-UHFFFAOYSA-N 1 0 277.290 2.091 10 0 CEAERO CO[C@@H]1CCC[C@H](O[C@@H](CC[NH3+])C(F)(F)F)C1 ZINC000070323793 523647869 /nfs/dbraw/zinc/64/78/69/523647869.db2.gz MZOYFQDRUXZLQU-UTLUCORTSA-N 1 0 255.280 2.240 10 0 CEAERO COCCN(CC(C)C)C(=O)[C@@H]1CCC[C@@H](CC[NH3+])C1 ZINC000055161105 523676995 /nfs/dbraw/zinc/67/69/95/523676995.db2.gz FSIHDMVDSJHCED-LSDHHAIUSA-N 1 0 284.444 2.273 10 0 CEAERO CC[C@@]1(C(=O)N(CC(C)C)C2CC2)CCC[NH2+]C1 ZINC000062856787 523690268 /nfs/dbraw/zinc/69/02/68/523690268.db2.gz QLNTYBABACEBJS-OAHLLOKOSA-N 1 0 252.402 2.413 10 0 CEAERO CC[C@@](O)(C[NH2+]CCOC)c1ccc(Cl)cc1 ZINC000055033670 523690863 /nfs/dbraw/zinc/69/08/63/523690863.db2.gz LPQCYGCLKPHIJW-CYBMUJFWSA-N 1 0 257.761 2.174 10 0 CEAERO COCC[NH+](CCOC)C[C@H]1C[C@@H](C(C)C)CCC1=O ZINC000054559294 523716731 /nfs/dbraw/zinc/71/67/31/523716731.db2.gz ZAGRHOKCJWHGSV-LSDHHAIUSA-N 1 0 285.428 2.223 10 0 CEAERO COCCN(CCOC)Cc1ccc(C[NH2+]C(C)(C)C)o1 ZINC000052571401 523719233 /nfs/dbraw/zinc/71/92/33/523719233.db2.gz IXKLPCZHADODDG-UHFFFAOYSA-N 1 0 298.427 2.263 10 0 CEAERO CC[C@@]1(CN(C)Cc2csc(C)n2)CC[NH2+]C1 ZINC000062912102 523735383 /nfs/dbraw/zinc/73/53/83/523735383.db2.gz UBPCXADKMOZZTL-CYBMUJFWSA-N 1 0 253.415 2.273 10 0 CEAERO COCCN(Cc1[nH+]c(NN)ccc1Cl)CC(C)C ZINC000061631304 523774181 /nfs/dbraw/zinc/77/41/81/523774181.db2.gz KUNBPLBJCRHXFH-UHFFFAOYSA-N 1 0 286.807 2.125 10 0 CEAERO COc1ccc(C)cc1C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000052943800 523802459 /nfs/dbraw/zinc/80/24/59/523802459.db2.gz JBSMXJZBEGHLSN-ZDUSSCGKSA-N 1 0 288.391 2.408 10 0 CEAERO COc1ccc(C)cc1C(=O)NCc1cccc(C[NH3+])c1 ZINC000052943293 523802573 /nfs/dbraw/zinc/80/25/73/523802573.db2.gz PWXUVCBWOXRSJT-UHFFFAOYSA-N 1 0 284.359 2.392 10 0 CEAERO COc1ccc(C)cc1C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000052943440 523802606 /nfs/dbraw/zinc/80/26/06/523802606.db2.gz RKMYXTNBVHTENB-QWHCGFSZSA-N 1 0 276.380 2.122 10 0 CEAERO COC(=O)[C@@](C)(N)CCCC[NH+]1Cc2ccccc2C1 ZINC000050912338 523816279 /nfs/dbraw/zinc/81/62/79/523816279.db2.gz JZKZQWYDAGPBLG-INIZCTEOSA-N 1 0 276.380 2.063 10 0 CEAERO CN(C(=O)C[C@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC000054292604 523846252 /nfs/dbraw/zinc/84/62/52/523846252.db2.gz LYAMWCOJJDGDLP-LLVKDONJSA-N 1 0 250.317 2.178 10 0 CEAERO CCc1cc2c(ncnc2N2CCC[C@H]2C[NH2+]C)s1 ZINC000053703889 523850116 /nfs/dbraw/zinc/85/01/16/523850116.db2.gz BDMCCULEAZKTLU-JTQLQIEISA-N 1 0 276.409 2.442 10 0 CEAERO COC(=O)[C@H](CC[N@H+](CC(C)C)C1CC1)NC(C)C ZINC000062461286 523897873 /nfs/dbraw/zinc/89/78/73/523897873.db2.gz MTQZTDNJCSBHJU-AWEZNQCLSA-N 1 0 270.417 2.037 10 0 CEAERO CC[C@H](C)[N@H+](CC)C[C@](NC1CC1)(C(=O)OC)C1CC1 ZINC000069097533 523934363 /nfs/dbraw/zinc/93/43/63/523934363.db2.gz ALYWDXLLHOGPSM-BLLLJJGKSA-N 1 0 282.428 2.181 10 0 CEAERO COCC[NH2+]CCCCOc1c(OC)cccc1OC ZINC000053562911 523936277 /nfs/dbraw/zinc/93/62/77/523936277.db2.gz KCLUNXYSWCLVFQ-UHFFFAOYSA-N 1 0 283.368 2.099 10 0 CEAERO COCC[NH2+]CC1(Cc2cscn2)CCCC1 ZINC000054656183 523936393 /nfs/dbraw/zinc/93/63/93/523936393.db2.gz OCEYBBWLZWOUAX-UHFFFAOYSA-N 1 0 254.399 2.482 10 0 CEAERO COCC[NH2+]CCCc1cnn(-c2ccccc2)c1 ZINC000054670128 523937507 /nfs/dbraw/zinc/93/75/07/523937507.db2.gz CDOOMKCDLQEGCW-UHFFFAOYSA-N 1 0 259.353 2.041 10 0 CEAERO COCC[NH2+]C[C@@H](CCOC)Cc1cccc(OC)c1 ZINC000054667256 523940707 /nfs/dbraw/zinc/94/07/07/523940707.db2.gz HUEKDXKPGLGUQU-HNNXBMFYSA-N 1 0 281.396 2.126 10 0 CEAERO COCC[NH2+]C[C@@H]1C[C@H]1c1cc(OC)c(OC)cc1OC ZINC000054598575 523941780 /nfs/dbraw/zinc/94/17/80/523941780.db2.gz RZHOGQVJWNSION-NWDGAFQWSA-N 1 0 295.379 2.052 10 0 CEAERO COCC[NH2+]C[C@@](O)(Cc1ccccc1)c1ccccc1 ZINC000055033644 523942461 /nfs/dbraw/zinc/94/24/61/523942461.db2.gz UTJNUYFICXAOFQ-SFHVURJKSA-N 1 0 285.387 2.353 10 0 CEAERO COCC[NH2+]C[C@H]1C[C@]1(C)c1cc(OC)ccc1OC ZINC000054599301 523944805 /nfs/dbraw/zinc/94/48/05/523944805.db2.gz HRRUAZJTXZTDRL-WBMJQRKESA-N 1 0 279.380 2.217 10 0 CEAERO COCC[NH2+]Cc1c(OCCCO)ccc2ccccc21 ZINC000062732189 523949136 /nfs/dbraw/zinc/94/91/36/523949136.db2.gz SNZHDFWHSKLHES-UHFFFAOYSA-N 1 0 289.375 2.337 10 0 CEAERO COCC[NH2+]Cc1cc(F)ccc1-n1nc(C)cc1C ZINC000062738581 523950649 /nfs/dbraw/zinc/95/06/49/523950649.db2.gz XXEUNCQSERYNAH-UHFFFAOYSA-N 1 0 277.343 2.364 10 0 CEAERO COCC[NH2+]Cc1cccc(OCCOC(C)C)c1 ZINC000062731754 523954115 /nfs/dbraw/zinc/95/41/15/523954115.db2.gz ITUJGSZAYQZLLW-UHFFFAOYSA-N 1 0 267.369 2.226 10 0 CEAERO COCC[NH2+]Cc1ccccc1-n1ccc(C2CC2)n1 ZINC000062738975 523954378 /nfs/dbraw/zinc/95/43/78/523954378.db2.gz YWHFZLQGZLFBMH-UHFFFAOYSA-N 1 0 271.364 2.486 10 0 CEAERO COCC[NH2+]Cc1cccc(OCc2cccnc2)c1 ZINC000062731596 523955023 /nfs/dbraw/zinc/95/50/23/523955023.db2.gz LBFNVTBUSDVYCN-UHFFFAOYSA-N 1 0 272.348 2.397 10 0 CEAERO COCC[NH2+]Cc1cnc(-c2ccc(C)c(F)c2)nc1 ZINC000054856811 523955900 /nfs/dbraw/zinc/95/59/00/523955900.db2.gz VNCVIHWKHPWGQR-UHFFFAOYSA-N 1 0 275.327 2.327 10 0 CEAERO C[N@@H+]1CC[C@@H](Nc2nc(Cl)nc3ccccc32)C1 ZINC000052811655 523969584 /nfs/dbraw/zinc/96/95/84/523969584.db2.gz XLYPYAVAWAEWIL-SECBINFHSA-N 1 0 262.744 2.399 10 0 CEAERO CO[C@H]1CCC[C@@H]1[NH2+]C[C@@H](O)COc1c(C)cccc1C ZINC000050373218 523981665 /nfs/dbraw/zinc/98/16/65/523981665.db2.gz UJZGJUQELJLLMU-PMPSAXMXSA-N 1 0 293.407 2.200 10 0 CEAERO COc1ccc(CN(C(=O)[C@H](C)C2C[NH2+]C2)C2CC2)cc1 ZINC000164169622 523989394 /nfs/dbraw/zinc/98/93/94/523989394.db2.gz MAECVSYDVFEMAZ-GFCCVEGCSA-N 1 0 288.391 2.042 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)Nc1ccc(OC)c(C)c1 ZINC000049532035 524003434 /nfs/dbraw/zinc/00/34/34/524003434.db2.gz KORVLQJMTMAAFZ-NSHDSACASA-N 1 0 250.342 2.330 10 0 CEAERO COC(=O)[C@](C[N@@H+]1CCC[C@@H](C)CC1)(NC1CC1)C1CC1 ZINC000069233179 524004832 /nfs/dbraw/zinc/00/48/32/524004832.db2.gz KDAVFKWHAKOEMK-CXAGYDPISA-N 1 0 294.439 2.182 10 0 CEAERO COCCO[C@@H](C[NH2+]C1CC1)c1ccccc1F ZINC000050495983 524028899 /nfs/dbraw/zinc/02/88/99/524028899.db2.gz LXCIXKRINYGWQU-AWEZNQCLSA-N 1 0 253.317 2.282 10 0 CEAERO CCc1ccc([C@](C)([NH3+])CCCS(C)(=O)=O)cc1 ZINC000063016388 524057440 /nfs/dbraw/zinc/05/74/40/524057440.db2.gz VBVNFZJMQGNVNJ-CQSZACIVSA-N 1 0 269.410 2.248 10 0 CEAERO CCc1cccc(CC)c1NS(=O)(=O)CCCC[NH3+] ZINC000049061265 524069442 /nfs/dbraw/zinc/06/94/42/524069442.db2.gz QDDUXSKTCQPJJO-UHFFFAOYSA-N 1 0 284.425 2.292 10 0 CEAERO CNC(=O)[C@@H](C)Oc1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000062728751 524080763 /nfs/dbraw/zinc/08/07/63/524080763.db2.gz GZPJHKSVFGKMBV-LLVKDONJSA-N 1 0 264.369 2.088 10 0 CEAERO Cc1ccc(C)c(CC(=O)N2C[C@@H]3C[C@H]([NH3+])CC[C@@H]3C2)c1 ZINC000053144937 524091645 /nfs/dbraw/zinc/09/16/45/524091645.db2.gz VSDOXDFLAMFSSE-HYVNUMGLSA-N 1 0 286.419 2.432 10 0 CEAERO C[C@H]1CCCN(c2cccc(Cl)c2C(N)=O)[C@@H]1C[NH3+] ZINC000070178644 524106187 /nfs/dbraw/zinc/10/61/87/524106187.db2.gz KZSNOZGCQMEHLC-JOYOIKCWSA-N 1 0 281.787 2.003 10 0 CEAERO C[C@H]1CCC[C@@H](S(=O)(=O)C2CCC([NH3+])CC2)C1 ZINC000055143946 524151276 /nfs/dbraw/zinc/15/12/76/524151276.db2.gz OYXNLMCITQPKIA-YWPUVAFDSA-N 1 0 259.415 2.250 10 0 CEAERO COc1ccc(Cl)cc1C(=O)N1CC[C@@H](C)[C@H]([NH3+])C1 ZINC000070145617 524194373 /nfs/dbraw/zinc/19/43/73/524194373.db2.gz YASZBEVSDKKVGK-BXKDBHETSA-N 1 0 282.771 2.158 10 0 CEAERO C[C@H]1CCC[C@H]([N@H+](C)CC2(CO)CCOCC2)C1 ZINC000052199588 524201766 /nfs/dbraw/zinc/20/17/66/524201766.db2.gz DBGBYQXSMSYKLI-KBPBESRZSA-N 1 0 255.402 2.286 10 0 CEAERO C[C@@H]1CCCN(C(=O)c2c[nH]c3ccccc23)[C@H]1C[NH3+] ZINC000070176992 524207748 /nfs/dbraw/zinc/20/77/48/524207748.db2.gz ZPVQFBJXOBOQLK-ABAIWWIYSA-N 1 0 271.364 2.367 10 0 CEAERO COc1ccc(Cn2ccnc2C[NH2+]C(C)C)cc1OC ZINC000051005669 524264518 /nfs/dbraw/zinc/26/45/18/524264518.db2.gz SSSJLNNSZJUYOY-UHFFFAOYSA-N 1 0 289.379 2.447 10 0 CEAERO Cc1ccc(CC(=O)N[C@H]2CCCC[C@@H]2[NH3+])cc1C ZINC000053140270 524271681 /nfs/dbraw/zinc/27/16/81/524271681.db2.gz HPEDROXVOSRKPR-GJZGRUSLSA-N 1 0 260.381 2.232 10 0 CEAERO C[C@@H]1CCC[C@@H](C)N1C(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000051093483 524277479 /nfs/dbraw/zinc/27/74/79/524277479.db2.gz LNLCENHZWCOMCN-RKDXNWHRSA-N 1 0 282.775 2.424 10 0 CEAERO Cc1ccc(CCC(=O)N(C)[C@H]2CCC[NH2+]C2)cc1 ZINC000052945807 524283511 /nfs/dbraw/zinc/28/35/11/524283511.db2.gz CXKJUPZLQRDAEF-HNNXBMFYSA-N 1 0 260.381 2.138 10 0 CEAERO C[C@H](C[NH3+])c1noc(Cc2cccc(Br)c2)n1 ZINC000054158956 524312066 /nfs/dbraw/zinc/31/20/66/524312066.db2.gz BSPXGKDVQPMEEQ-MRVPVSSYSA-N 1 0 296.168 2.485 10 0 CEAERO C[C@H](C[NH+]1CCCC1)Nc1cc2c(cc1N)CCC(=O)N2 ZINC000049152412 524318426 /nfs/dbraw/zinc/31/84/26/524318426.db2.gz AAYAXVITFRSGIZ-LLVKDONJSA-N 1 0 288.395 2.050 10 0 CEAERO C[C@H](CN1CCCC1)[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000049150023 524319079 /nfs/dbraw/zinc/31/90/79/524319079.db2.gz JAZLYKJSFOQROX-SJLPKXTDSA-N 1 0 287.451 2.335 10 0 CEAERO C[C@H](C[NH+]1CCCC1)N1C(=S)N=NC1c1ccccn1 ZINC000049184530 524322103 /nfs/dbraw/zinc/32/21/03/524322103.db2.gz WECBGYFMUVNREU-LLVKDONJSA-N 1 0 289.408 2.286 10 0 CEAERO C[C@H]1CC[C@@H](O)[C@H]([N@@H+]2CC[C@H](N3CCCCC3)C2)C1 ZINC000062982417 524371347 /nfs/dbraw/zinc/37/13/47/524371347.db2.gz GPROZMZELVGPAI-CAOSSQGBSA-N 1 0 266.429 2.096 10 0 CEAERO C[C@H]1CC[C@H](C(=O)N(C)c2cccc(F)c2)C[NH2+]1 ZINC000050009607 524376660 /nfs/dbraw/zinc/37/66/60/524376660.db2.gz YBVDBGPOCSRVSI-QWRGUYRKSA-N 1 0 250.317 2.177 10 0 CEAERO C[C@@H](CC(N)=S)[N@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000063088979 524418478 /nfs/dbraw/zinc/41/84/78/524418478.db2.gz BQPMGGBCGLYMMV-VIFPVBQESA-N 1 0 299.827 2.275 10 0 CEAERO COc1ccccc1CN(C)C(=O)C[C@@H]1CCCC[NH2+]1 ZINC000048895020 524431378 /nfs/dbraw/zinc/43/13/78/524431378.db2.gz VJDGPNMODGVMMS-AWEZNQCLSA-N 1 0 276.380 2.186 10 0 CEAERO C[C@@H]1CCC[C@]([NH3+])(c2noc(C3CCOCC3)n2)C1 ZINC000061673818 524431796 /nfs/dbraw/zinc/43/17/96/524431796.db2.gz CCUABVZZXPBATR-QMTHXVAHSA-N 1 0 265.357 2.328 10 0 CEAERO Cc1cccc(C[C@H]([NH3+])c2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000052127782 524469968 /nfs/dbraw/zinc/46/99/68/524469968.db2.gz OIMSNXHIBKJZFX-ZDUSSCGKSA-N 1 0 267.332 2.407 10 0 CEAERO C[C@@H](CC[NH3+])N(C)C(=O)c1cccc(OC(F)F)c1 ZINC000063085829 524481776 /nfs/dbraw/zinc/48/17/76/524481776.db2.gz HTJSLSJKGGMMHB-VIFPVBQESA-N 1 0 272.295 2.097 10 0 CEAERO COc1ccccc1N(C)CC[C@@](C)(CO)[NH2+]C(C)C ZINC000070338061 524525359 /nfs/dbraw/zinc/52/53/59/524525359.db2.gz YBIGCSNCFYXSQA-INIZCTEOSA-N 1 0 280.412 2.271 10 0 CEAERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(Cl)cc1N ZINC000050443139 524567516 /nfs/dbraw/zinc/56/75/16/524567516.db2.gz ARFOSESMCWBTEG-MWLCHTKSSA-N 1 0 281.787 2.008 10 0 CEAERO C[C@H]1CN(C)c2ccc(Br)cc2C[NH2+]1 ZINC000062625823 524569395 /nfs/dbraw/zinc/56/93/95/524569395.db2.gz UWFSHICMHKHZLM-QMMMGPOBSA-N 1 0 255.159 2.377 10 0 CEAERO C[C@@H](C[NH+]1CCCC1)Nc1cc2c(cc1N)NC(=O)CC2 ZINC000049152374 524594693 /nfs/dbraw/zinc/59/46/93/524594693.db2.gz YXYNLXDRSRSARV-NSHDSACASA-N 1 0 288.395 2.050 10 0 CEAERO Cc1cc(C)nc(Sc2nnc(C)c(C)c2C[NH3+])n1 ZINC000051607672 524604841 /nfs/dbraw/zinc/60/48/41/524604841.db2.gz ZXKYQPHWHSBPHE-UHFFFAOYSA-N 1 0 275.381 2.110 10 0 CEAERO C[C@@H]1CC[C@@H](NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)C[C@@H]1C ZINC000068584518 524610869 /nfs/dbraw/zinc/61/08/69/524610869.db2.gz MQXXFVXZKBHUJJ-XZUYRWCXSA-N 1 0 292.345 2.469 10 0 CEAERO C[C@@H]1CC[C@H](C(=O)NCCCCC[NH+]2CCCCC2)O1 ZINC000154026805 524634355 /nfs/dbraw/zinc/63/43/55/524634355.db2.gz CQRZZSVFXNWAMT-HUUCEWRRSA-N 1 0 282.428 2.326 10 0 CEAERO Cc1cccc(NC(=O)[C@H](C[NH3+])c2ccccc2)n1 ZINC000061611006 524653933 /nfs/dbraw/zinc/65/39/33/524653933.db2.gz BZOBMYJDVBRMQO-CYBMUJFWSA-N 1 0 255.321 2.071 10 0 CEAERO C[C@@H]1CC[C@H](C[NH3+])CN1C(=O)c1ccc(F)cc1F ZINC000070180180 524669352 /nfs/dbraw/zinc/66/93/52/524669352.db2.gz XQXYMYUAKYIERE-NXEZZACHSA-N 1 0 268.307 2.164 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C)N1C(=O)c1cc2c(s1)CCCC2 ZINC000069133097 524696860 /nfs/dbraw/zinc/69/68/60/524696860.db2.gz NLFZNFYYYJUSQS-QWRGUYRKSA-N 1 0 278.421 2.449 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C)N1Cc1ccc(-n2ccnc2)cc1 ZINC000069134629 524699520 /nfs/dbraw/zinc/69/95/20/524699520.db2.gz TVOAYXAMYMKWSD-KBPBESRZSA-N 1 0 270.380 2.055 10 0 CEAERO C[C@H](Cc1cccc(Cl)c1)NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000062892612 524712113 /nfs/dbraw/zinc/71/21/13/524712113.db2.gz AVISOJDSXOYRAA-IAQYHMDHSA-N 1 0 280.799 2.387 10 0 CEAERO Cc1ccc(Cl)cc1-n1nnnc1C[NH2+]C(C)C ZINC000054744197 524718780 /nfs/dbraw/zinc/71/87/80/524718780.db2.gz JZISKXASZOCIGJ-UHFFFAOYSA-N 1 0 265.748 2.122 10 0 CEAERO Cc1cccc(OCC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000155752377 524720292 /nfs/dbraw/zinc/72/02/92/524720292.db2.gz NUJCXRKUWMKFMD-HOCLYGCPSA-N 1 0 290.407 2.219 10 0 CEAERO C[C@@H](C[NH2+]C[C@H]1CCCO1)N1Cc2ccccc2C1 ZINC000053493207 524741557 /nfs/dbraw/zinc/74/15/57/524741557.db2.gz FNRHIZJFOLUPIL-XJKSGUPXSA-N 1 0 260.381 2.159 10 0 CEAERO Cc1cc(C[NH2+]C(C)(C)C)cc(C)c1OCC(N)=O ZINC000062728495 524750179 /nfs/dbraw/zinc/75/01/79/524750179.db2.gz CWGJLVAXMGGBQV-UHFFFAOYSA-N 1 0 264.369 2.056 10 0 CEAERO Cc1cccc(O[C@H](C)C[C@@](C)([NH2+]C2CC2)C(N)=O)c1C ZINC000068655474 524784238 /nfs/dbraw/zinc/78/42/38/524784238.db2.gz NWWRKMDTJFWBGT-SJKOYZFVSA-N 1 0 290.407 2.457 10 0 CEAERO Cc1ccc(F)c(C(=O)N2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000052998672 524784987 /nfs/dbraw/zinc/78/49/87/524784987.db2.gz NLCMELUAIFGRCD-CABCVRRESA-N 1 0 276.355 2.491 10 0 CEAERO Cc1ccc(F)c([C@@](O)([C@H](C)[NH3+])C(F)(F)F)c1 ZINC000062784289 524835139 /nfs/dbraw/zinc/83/51/39/524835139.db2.gz KMKBGQKHOHWQSY-XVKPBYJWSA-N 1 0 251.223 2.231 10 0 CEAERO C[C@H]([NH3+])Cc1noc(-c2cccc3ncccc32)n1 ZINC000061418951 524835942 /nfs/dbraw/zinc/83/59/42/524835942.db2.gz BYDRWRWVTOOTHC-VIFPVBQESA-N 1 0 254.293 2.175 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1cnn(C)c1)n1cc(-c2ccccc2)cn1 ZINC000054960781 524838877 /nfs/dbraw/zinc/83/88/77/524838877.db2.gz JTICTLPQQPESSW-LRDDRELGSA-N 1 0 281.363 2.220 10 0 CEAERO Cc1ccc(F)cc1C(=O)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000062666762 524844447 /nfs/dbraw/zinc/84/44/47/524844447.db2.gz AURFCMRJRGMGDW-YHWZYXNKSA-N 1 0 262.328 2.228 10 0 CEAERO C[C@H]([NH3+])[C@@](O)(c1ccccc1Cl)C(F)(F)F ZINC000062784753 524848533 /nfs/dbraw/zinc/84/85/33/524848533.db2.gz IUIMTKDSDKFNOE-IMTBSYHQSA-N 1 0 253.651 2.437 10 0 CEAERO C[C@H]1C[C@@H]1[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000052287719 524852156 /nfs/dbraw/zinc/85/21/56/524852156.db2.gz SVMXRQCHIPDCJI-KWQFWETISA-N 1 0 283.169 2.386 10 0 CEAERO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C1(c2ccccc2)CC1 ZINC000063192534 524855497 /nfs/dbraw/zinc/85/54/97/524855497.db2.gz NMGJMYHHJCXXDM-DZGCQCFKSA-N 1 0 272.392 2.447 10 0 CEAERO C[C@H]([NH3+])[C@H]1CCCN(Cc2noc(-c3cccs3)n2)C1 ZINC000070174143 524860743 /nfs/dbraw/zinc/86/07/43/524860743.db2.gz OETYEJQPYQXVGJ-QWRGUYRKSA-N 1 0 292.408 2.357 10 0 CEAERO C[C@H]1C[C@H](C)CN(C(=O)CC2CCC([NH3+])CC2)C1 ZINC000055123675 524878829 /nfs/dbraw/zinc/87/88/29/524878829.db2.gz QWUYHFMSJPQUHP-FEPKRQSRSA-N 1 0 252.402 2.399 10 0 CEAERO COc1ccc(OC[C@@H](C)O)c(C[NH2+]CC(C)C)c1 ZINC000062727625 524967742 /nfs/dbraw/zinc/96/77/42/524967742.db2.gz GVSVLVKNCCEAKI-GFCCVEGCSA-N 1 0 267.369 2.200 10 0 CEAERO C[C@@H](N(C)C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)C(C)(C)C ZINC000069051881 524979037 /nfs/dbraw/zinc/97/90/37/524979037.db2.gz IYDODICFHHKCKF-BXKDBHETSA-N 1 0 280.334 2.421 10 0 CEAERO C[C@@H]1CN(Cc2ccc(C[NH2+]C3CC3)cc2)CCO1 ZINC000052382664 524992966 /nfs/dbraw/zinc/99/29/66/524992966.db2.gz IVTLDNRIBRFCKF-CYBMUJFWSA-N 1 0 260.381 2.159 10 0 CEAERO C[C@H]1Cc2ccccc2N1c1ccnc(C(N)=[NH2+])c1 ZINC000061813999 524995455 /nfs/dbraw/zinc/99/54/55/524995455.db2.gz LOPAYDVJPCJULH-JTQLQIEISA-N 1 0 252.321 2.448 10 0 CEAERO C[C@@H]([NH3+])Cc1cccc(-n2nnc(-c3ccccc3)n2)c1 ZINC000069331589 524999509 /nfs/dbraw/zinc/99/95/09/524999509.db2.gz RTLNIIFSGZAFNZ-GFCCVEGCSA-N 1 0 279.347 2.219 10 0 CEAERO C[C@@H]([NH3+])Cc1nccn1Cc1ccc2ncccc2c1 ZINC000062802838 525002506 /nfs/dbraw/zinc/00/25/06/525002506.db2.gz OXXYWOYZYYWCPF-GFCCVEGCSA-N 1 0 266.348 2.369 10 0 CEAERO C[C@@H]([NH3+])[C@@H](OCc1ccccc1F)c1cnn(C)c1 ZINC000069282145 525004742 /nfs/dbraw/zinc/00/47/42/525004742.db2.gz MFTLYLOODMFPCK-QMTHXVAHSA-N 1 0 263.316 2.164 10 0 CEAERO C[C@@H]([NH3+])[C@@H](Sc1nnc2ccccn21)c1cccnc1 ZINC000061406466 525005949 /nfs/dbraw/zinc/00/59/49/525005949.db2.gz IMLCWOLTTCPTRQ-ZWNOBZJWSA-N 1 0 285.376 2.305 10 0 CEAERO C[C@@H]([NH3+])[C@](O)(c1cnc2ccccc2c1)C(F)(F)F ZINC000062784202 525024463 /nfs/dbraw/zinc/02/44/63/525024463.db2.gz QKDDWJIFYXKEIC-PELKAZGASA-N 1 0 270.254 2.332 10 0 CEAERO C[C@@H]([NH3+])c1ccc(NC(=O)NCc2nccs2)cc1 ZINC000049540580 525029363 /nfs/dbraw/zinc/02/93/63/525029363.db2.gz QVWFZYFLVGYDFE-SECBINFHSA-N 1 0 276.365 2.485 10 0 CEAERO Cc1cc(N)cnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000062052248 525040016 /nfs/dbraw/zinc/04/00/16/525040016.db2.gz QUHDDJZRWLNPHU-UHFFFAOYSA-N 1 0 274.412 2.284 10 0 CEAERO C[C@@H]1C[NH2+]CCN1C(=O)c1c(Cl)cccc1Cl ZINC000054369749 525090704 /nfs/dbraw/zinc/09/07/04/525090704.db2.gz COKKATKCQSQNRW-MRVPVSSYSA-N 1 0 273.163 2.427 10 0 CEAERO Cc1ccccc1CC(=O)NC[C@@H]1CCC[C@@H](C)[NH2+]1 ZINC000051573345 525095993 /nfs/dbraw/zinc/09/59/93/525095993.db2.gz YQWGCGJWWXWIBY-HIFRSBDPSA-N 1 0 260.381 2.184 10 0 CEAERO Cc1ccccc1CC(=O)NC[C@H]1CC[C@H](C)[NH2+]C1 ZINC000062036902 525096137 /nfs/dbraw/zinc/09/61/37/525096137.db2.gz LSAMGCXRVUFDSS-KBPBESRZSA-N 1 0 260.381 2.042 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C)N1C(=O)c1ccc2ccccc2c1O ZINC000069133391 525098024 /nfs/dbraw/zinc/09/80/24/525098024.db2.gz RELKXOWLMZRDRT-VXGBXAGGSA-N 1 0 284.359 2.368 10 0 CEAERO C[C@@H]1COCCN1c1nc(-c2ccccc2)c(C[NH3+])s1 ZINC000054997366 525129875 /nfs/dbraw/zinc/12/98/75/525129875.db2.gz NFIHJVLKBUYRLD-LLVKDONJSA-N 1 0 289.404 2.494 10 0 CEAERO CS(=O)(=O)CC[C@H](C[NH2+]C1CC1)Cc1cccc(F)c1 ZINC000052977397 525131717 /nfs/dbraw/zinc/13/17/17/525131717.db2.gz HWSKMWFPDRVAIR-ZDUSSCGKSA-N 1 0 299.411 2.171 10 0 CEAERO C[C@]([NH3+])(C(=O)N[C@H]1CCCc2sccc21)C1CC1 ZINC000061365849 525144243 /nfs/dbraw/zinc/14/42/43/525144243.db2.gz FIOMVLHPWQBEOP-SMDDNHRTSA-N 1 0 264.394 2.369 10 0 CEAERO C[C@]([NH3+])(C(=O)NCCc1ccc(F)cc1)c1ccccc1 ZINC000052881049 525144636 /nfs/dbraw/zinc/14/46/36/525144636.db2.gz WWOLFYYJWBVZDA-QGZVFWFLSA-N 1 0 286.350 2.359 10 0 CEAERO C[C@]([NH3+])(C(=O)NCc1ccccc1)c1ccccc1 ZINC000052881041 525144863 /nfs/dbraw/zinc/14/48/63/525144863.db2.gz MPFRXXWEBRUZRI-MRXNPFEDSA-N 1 0 254.333 2.177 10 0 CEAERO Cc1ccccc1CSCC[C@@H]([NH2+]C(C)C)C(N)=O ZINC000062603967 525184039 /nfs/dbraw/zinc/18/40/39/525184039.db2.gz MTGQSUGQVOVEJE-CQSZACIVSA-N 1 0 280.437 2.470 10 0 CEAERO COc1ccc([C@@H](O)[C@H]([NH3+])c2ccccc2)c(OC)c1 ZINC000054682430 525208754 /nfs/dbraw/zinc/20/87/54/525208754.db2.gz ISMDOTMBGOSBDD-HZPDHXFCSA-N 1 0 273.332 2.437 10 0 CEAERO Cc1cc(NC[C@@H]([NH3+])C2CC2)ncc1Br ZINC000163964166 525271658 /nfs/dbraw/zinc/27/16/58/525271658.db2.gz FZYMTNKQFKAFKD-SNVBAGLBSA-N 1 0 270.174 2.302 10 0 CEAERO Cc1ccc(NS(=O)(=O)C[C@H]2CCCC[NH2+]2)cc1F ZINC000049630864 525293375 /nfs/dbraw/zinc/29/33/75/525293375.db2.gz JGZORTLZSMKJKA-GFCCVEGCSA-N 1 0 286.372 2.018 10 0 CEAERO Cc1ccc(NS(=O)(=O)CCC[NH2+]C(C)C)c(C)c1 ZINC000049631762 525293757 /nfs/dbraw/zinc/29/37/57/525293757.db2.gz SQBWPNLIJGSABG-UHFFFAOYSA-N 1 0 284.425 2.433 10 0 CEAERO C[C@@H]1C[C@@H]1[NH2+]C[C@H](O)COc1ccc(Cl)cc1 ZINC000052278072 525328464 /nfs/dbraw/zinc/32/84/64/525328464.db2.gz FVAMIXYCUJFQFC-CDMKHQONSA-N 1 0 255.745 2.078 10 0 CEAERO C[C@H]([NH2+]CCCOc1ccc2c(c1)OCO2)[C@H]1CCCO1 ZINC000183108320 525344436 /nfs/dbraw/zinc/34/44/36/525344436.db2.gz IGINVXADVPUUPY-GXTWGEPZSA-N 1 0 293.363 2.341 10 0 CEAERO C[C@@H]1C[C@H](C)CN(C(=O)[C@@H]2CC[C@@H](C)[C@@H]([NH3+])C2)C1 ZINC000055123656 525378387 /nfs/dbraw/zinc/37/83/87/525378387.db2.gz MYTUSGQTXPLPIM-ITGHMWBKSA-N 1 0 252.402 2.254 10 0 CEAERO C[C@@H]([NH2+]CC(=O)NCc1cccc(Cl)c1)[C@H]1CCCO1 ZINC000183151918 525411834 /nfs/dbraw/zinc/41/18/34/525411834.db2.gz UCOGHJNGZZVCBA-BXUZGUMPSA-N 1 0 296.798 2.113 10 0 CEAERO Cc1cccnc1-c1nc(C)c(CCC[NH3+])c(C)n1 ZINC000054836532 525476991 /nfs/dbraw/zinc/47/69/91/525476991.db2.gz SMDIEEVWBLLBBI-UHFFFAOYSA-N 1 0 256.353 2.355 10 0 CEAERO C[C@@H](NC[C@H](O)C[NH+]1CCCCC1)c1ccc(Cl)nc1 ZINC000181388761 525497034 /nfs/dbraw/zinc/49/70/34/525497034.db2.gz BSHJGCCUDDTGDN-OCCSQVGLSA-N 1 0 297.830 2.232 10 0 CEAERO C[C@@H]1C[C@H]1[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000052273313 525497279 /nfs/dbraw/zinc/49/72/79/525497279.db2.gz SXDSUANJNZYROY-ZYHUDNBSSA-N 1 0 254.374 2.384 10 0 CEAERO Cc1cccnc1NC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000054442719 525542011 /nfs/dbraw/zinc/54/20/11/525542011.db2.gz ODPMIFXPCYXQMN-UHFFFAOYSA-N 1 0 284.363 2.368 10 0 CEAERO Cc1ccc(SCC[C@@H]([NH2+]C2CC2)C(N)=O)cc1 ZINC000062598282 525660158 /nfs/dbraw/zinc/66/01/58/525660158.db2.gz SMVVHZUPFWMUMM-CYBMUJFWSA-N 1 0 264.394 2.083 10 0 CEAERO Cc1ccc(SCC[C@@H]([NH2+]C(C)C)C(N)=O)cc1 ZINC000062598305 525660184 /nfs/dbraw/zinc/66/01/84/525660184.db2.gz WFRYNFSULIYMKN-CYBMUJFWSA-N 1 0 266.410 2.329 10 0 CEAERO CSC[C@H](C)C[NH2+][C@H](C)C(=O)NC1CCCC1 ZINC000069447757 525682803 /nfs/dbraw/zinc/68/28/03/525682803.db2.gz JJNCJKMMNSVZQX-GHMZBOCLSA-N 1 0 258.431 2.022 10 0 CEAERO Cc1ccc([C@@H](C)NS(=O)(=O)c2ccccc2C[NH3+])o1 ZINC000049204553 525739840 /nfs/dbraw/zinc/73/98/40/525739840.db2.gz DAJIPIZBMLVPOK-LLVKDONJSA-N 1 0 294.376 2.086 10 0 CEAERO C[C@@]([NH3+])(C(=O)NCCc1cccc(F)c1)c1ccccc1 ZINC000052881634 525745880 /nfs/dbraw/zinc/74/58/80/525745880.db2.gz JRDNALMXJFJXTI-KRWDZBQOSA-N 1 0 286.350 2.359 10 0 CEAERO Cc1ccc([C@@H](C)n2nnnc2C[NH2+]CC(C)C)cc1 ZINC000054747959 525756042 /nfs/dbraw/zinc/75/60/42/525756042.db2.gz NBRSNFQENGQBHD-CYBMUJFWSA-N 1 0 273.384 2.336 10 0 CEAERO C[C@H](OC[C@H]1CCCC[NH2+]1)C(=O)Nc1ccccc1 ZINC000051815730 525911125 /nfs/dbraw/zinc/91/11/25/525911125.db2.gz XMWQDMYIRFDGGO-GXTWGEPZSA-N 1 0 262.353 2.172 10 0 CEAERO C[C@@H](Oc1cccc2c1CC[C@@H]2[NH3+])C(=O)NC(C)(C)C ZINC000062798659 525947942 /nfs/dbraw/zinc/94/79/42/525947942.db2.gz HZWOPOFSAIGWMM-MFKMUULPSA-N 1 0 276.380 2.315 10 0 CEAERO COc1cccc(CN2CC[NH2+]C[C@@H]2c2ccccc2)n1 ZINC000068696109 525948683 /nfs/dbraw/zinc/94/86/83/525948683.db2.gz KQVKDWHWZIYYOY-MRXNPFEDSA-N 1 0 283.375 2.237 10 0 CEAERO COc1cccc(CN2CC[NH2+]C[C@H]2C2CCCCC2)n1 ZINC000068697062 525949271 /nfs/dbraw/zinc/94/92/71/525949271.db2.gz RJWTUXIIYRPSJV-INIZCTEOSA-N 1 0 289.423 2.444 10 0 CEAERO COc1cccc(Cn2ccnc2C[NH2+]C(C)C)c1 ZINC000051014747 526110457 /nfs/dbraw/zinc/11/04/57/526110457.db2.gz HTSQWSDGTBEKDK-UHFFFAOYSA-N 1 0 259.353 2.438 10 0 CEAERO Cc1cc(Br)ccc1C(=O)N[C@H]1CCC[C@@H]1[NH3+] ZINC000063172010 526162544 /nfs/dbraw/zinc/16/25/44/526162544.db2.gz MUJADZPCUWGXCK-RYUDHWBXSA-N 1 0 297.196 2.367 10 0 CEAERO Cc1ccc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c(O)c1 ZINC000049560329 526196250 /nfs/dbraw/zinc/19/62/50/526196250.db2.gz HNZOUVBDKNDHLW-ZDUSSCGKSA-N 1 0 278.396 2.407 10 0 CEAERO Cc1ccc(C(=O)N[C@H]2CCC[C@H]2[NH3+])cc1Cl ZINC000063171885 526213326 /nfs/dbraw/zinc/21/33/26/526213326.db2.gz MQPWMYPDCVEQDM-NEPJUHHUSA-N 1 0 252.745 2.258 10 0 CEAERO C[C@H]1CCC(=O)[C@H](C[N@@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000061653357 526237479 /nfs/dbraw/zinc/23/74/79/526237479.db2.gz CZEQUEGYXXTNMY-MELADBBJSA-N 1 0 252.402 2.018 10 0 CEAERO C[C@H]1CCCC[C@H]1[N@H+](C)[C@@H](CN)C1CCOCC1 ZINC000052177807 526261337 /nfs/dbraw/zinc/26/13/37/526261337.db2.gz MSMJLZHVSUKXDQ-CFVMTHIKSA-N 1 0 254.418 2.251 10 0 CEAERO O[C@H](C[NH2+]C1CC1)c1ccc(F)c(Br)c1 ZINC000055029081 526276172 /nfs/dbraw/zinc/27/61/72/526276172.db2.gz YMWXPBIRKYYSHR-LLVKDONJSA-N 1 0 274.133 2.374 10 0 CEAERO O[C@H](C[NH2+]CCC(F)(F)F)c1ccc2c(c1)OCCO2 ZINC000063099955 526276342 /nfs/dbraw/zinc/27/63/42/526276342.db2.gz NIVBLYPBESFKSW-SNVBAGLBSA-N 1 0 291.269 2.033 10 0 CEAERO O[C@H](C[NH2+]C1CC1)c1ccccc1Br ZINC000055029238 526276669 /nfs/dbraw/zinc/27/66/69/526276669.db2.gz BPDZXSGQZASOFX-LLVKDONJSA-N 1 0 256.143 2.235 10 0 CEAERO Cc1nn(CCOCCC(C)C)c(C)c1C[C@@H](C)[NH3+] ZINC000054741117 526281993 /nfs/dbraw/zinc/28/19/93/526281993.db2.gz UUYWCTMBNNRVJG-GFCCVEGCSA-N 1 0 267.417 2.452 10 0 CEAERO Fc1cc(F)cc(Cc2noc([C@H]3CCC[NH2+]C3)n2)c1 ZINC000049347951 526307435 /nfs/dbraw/zinc/30/74/35/526307435.db2.gz OSXCKBBRKUTHAE-JTQLQIEISA-N 1 0 279.290 2.406 10 0 CEAERO Cc1csc(CNC[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)n1 ZINC000049539142 526356836 /nfs/dbraw/zinc/35/68/36/526356836.db2.gz QEXISHBZAAULEU-AGIUHOORSA-N 1 0 265.426 2.462 10 0 CEAERO Cc1nnc(OC[C@@H]2CCCC[NH2+]2)c2ccccc12 ZINC000051883307 526376531 /nfs/dbraw/zinc/37/65/31/526376531.db2.gz QJKNQGDCLQCYMJ-LBPRGKRZSA-N 1 0 257.337 2.459 10 0 CEAERO c1cc(Cc2nc(C[C@H]3CCC[NH2+]C3)no2)cs1 ZINC000063084671 526431634 /nfs/dbraw/zinc/43/16/34/526431634.db2.gz VABIGLGBWRMSAF-SNVBAGLBSA-N 1 0 263.366 2.264 10 0 CEAERO c1cn(C2CCCC2)nc1CN1CC[NH2+][C@H](C2CC2)C1 ZINC000068692646 526528709 /nfs/dbraw/zinc/52/87/09/526528709.db2.gz CNRJFJUUSLKIFS-INIZCTEOSA-N 1 0 274.412 2.182 10 0 CEAERO O=C(CC[C@@H]1CCCC[NH2+]1)Nc1ccc2c(c1)OCCO2 ZINC000050940528 526548067 /nfs/dbraw/zinc/54/80/67/526548067.db2.gz DCCXRSIRODGMBF-LBPRGKRZSA-N 1 0 290.363 2.319 10 0 CEAERO O=C(CC[C@H]1CCCC[NH2+]1)Nc1ccc2c(c1)OCCO2 ZINC000050940531 526565749 /nfs/dbraw/zinc/56/57/49/526565749.db2.gz DCCXRSIRODGMBF-GFCCVEGCSA-N 1 0 290.363 2.319 10 0 CEAERO O=C(c1cc(Cl)c[nH]1)N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051358918 526605555 /nfs/dbraw/zinc/60/55/55/526605555.db2.gz YURQYQFCJMBGOI-CMPLNLGQSA-N 1 0 267.760 2.025 10 0 CEAERO Cc1noc(COc2cc(F)ccc2[C@@H](C)[NH3+])n1 ZINC000062745344 526626092 /nfs/dbraw/zinc/62/60/92/526626092.db2.gz UNESAPKBZPMFJR-SSDOTTSWSA-N 1 0 251.261 2.116 10 0 CEAERO Cc1oc(CN2CCO[C@H]3CCCC[C@@H]32)cc1C[NH3+] ZINC000052573112 526770760 /nfs/dbraw/zinc/77/07/60/526770760.db2.gz NLYNRUUFKMTBMV-GJZGRUSLSA-N 1 0 264.369 2.190 10 0 CEAERO NC(=[NH2+])c1cc(OCC2CCOCC2)nc2ccccc21 ZINC000068798337 526820810 /nfs/dbraw/zinc/82/08/10/526820810.db2.gz XOBHYMIEGJJNMO-UHFFFAOYSA-N 1 0 285.347 2.324 10 0 CEAERO NC(=[NH2+])c1ccc(OC[C@@H]2CCOC2)c(Cl)c1 ZINC000049688806 526822889 /nfs/dbraw/zinc/82/28/89/526822889.db2.gz RIBPJQYXTPOZJN-MRVPVSSYSA-N 1 0 254.717 2.039 10 0 CEAERO NC(=[NH2+])c1ncccc1COc1ccc(F)c(F)c1 ZINC000061658778 526824949 /nfs/dbraw/zinc/82/49/49/526824949.db2.gz ZACITUFEBVBPDV-UHFFFAOYSA-N 1 0 263.247 2.223 10 0 CEAERO Cc1ncc(C[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)[nH]1 ZINC000054822222 526890669 /nfs/dbraw/zinc/89/06/69/526890669.db2.gz LMWXXOSJMVOOBC-VIFPVBQESA-N 1 0 273.340 2.060 10 0 CEAERO Cc1nc(Cc2cccnc2)nc(C)c1C[NH2+]C1CC1 ZINC000054854357 526929314 /nfs/dbraw/zinc/92/93/14/526929314.db2.gz OPCJSYQEXDDOHV-UHFFFAOYSA-N 1 0 268.364 2.331 10 0 CEAERO O=C(N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000371709868 526952566 /nfs/dbraw/zinc/95/25/66/526952566.db2.gz KKRJZJFPGPHZQS-GVDBMIGSSA-N 1 0 284.403 2.423 10 0 CEAERO Cc1nc(N2C[C@@H](C)OC[C@@H]2C)sc1[C@@H](C)[NH3+] ZINC000054895557 526973525 /nfs/dbraw/zinc/97/35/25/526973525.db2.gz TVKRGJBKDDTRMC-DJLDLDEBSA-N 1 0 255.387 2.085 10 0 CEAERO Cc1nc(NC(=O)CC[C@@H]2CCC[NH2+]C2)sc1C ZINC000049842847 526975875 /nfs/dbraw/zinc/97/58/75/526975875.db2.gz VCDDNZQXPAXWPW-NSHDSACASA-N 1 0 267.398 2.478 10 0 CEAERO NC(=O)[C@@]([NH3+])(CSC1CCCC1)c1ccccc1 ZINC000062830946 526989295 /nfs/dbraw/zinc/98/92/95/526989295.db2.gz OHYJMJYSRBAFEL-CQSZACIVSA-N 1 0 264.394 2.002 10 0 CEAERO O=C1CCc2cc(OCCC[C@@H]3CCC[NH2+]3)ccc2N1 ZINC000052765006 526997722 /nfs/dbraw/zinc/99/77/22/526997722.db2.gz XYFAZCKCSFXFST-ZDUSSCGKSA-N 1 0 274.364 2.482 10 0 CEAERO NC(=O)c1c(Cl)cccc1OC1CCC([NH3+])CC1 ZINC000055143363 527019002 /nfs/dbraw/zinc/01/90/02/527019002.db2.gz UCHJUCFEFKECQK-UHFFFAOYSA-N 1 0 268.744 2.088 10 0 CEAERO NC(=O)c1cc(Cl)ccc1OCC[C@@H]1CCC[NH2+]C1 ZINC000052859404 527026772 /nfs/dbraw/zinc/02/67/72/527026772.db2.gz MIZPZTNMHHPKIJ-JTQLQIEISA-N 1 0 282.771 2.207 10 0 CEAERO O=C(N[C@H]1CCCc2occc21)[C@@H]1CC12CC[NH2+]CC2 ZINC000070255310 527041071 /nfs/dbraw/zinc/04/10/71/527041071.db2.gz RJPIUZPOLWIIDZ-STQMWFEESA-N 1 0 274.364 2.163 10 0 CEAERO NC(=O)c1ccc(N2C[C@@H]3C[C@H]([NH3+])CC[C@@H]3C2)cc1Cl ZINC000061846880 527059434 /nfs/dbraw/zinc/05/94/34/527059434.db2.gz JYBTUJODGCKYIB-OUAUKWLOSA-N 1 0 293.798 2.003 10 0 CEAERO O=C(C[C@@H]1CCCC[NH2+]1)N[C@@H]1CCOc2ccccc21 ZINC000051987948 527110008 /nfs/dbraw/zinc/11/00/08/527110008.db2.gz LTRNQUYRJOSZHN-GXTWGEPZSA-N 1 0 274.364 2.159 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1cc(F)cc(F)c1F ZINC000061118945 527119861 /nfs/dbraw/zinc/11/98/61/527119861.db2.gz RHURQBCJUMAHSV-QMMMGPOBSA-N 1 0 272.270 2.432 10 0 CEAERO O=C(Nc1ccc(CCO)cc1)c1ccc2c(c1)C[NH2+]C2 ZINC000156728005 527166966 /nfs/dbraw/zinc/16/69/66/527166966.db2.gz URVGJUPNFIPJKC-UHFFFAOYSA-N 1 0 282.343 2.077 10 0 CEAERO [NH3+]CCCN(C(=O)C1CCOCC1)C1CCCCCC1 ZINC000061670876 527177222 /nfs/dbraw/zinc/17/72/22/527177222.db2.gz ZABAKFZXCZXDQA-UHFFFAOYSA-N 1 0 282.428 2.313 10 0 CEAERO Cc1nc2ccccn2c1C[NH2+][C@@H](C)CN1CCCC1 ZINC000049150778 527180004 /nfs/dbraw/zinc/18/00/04/527180004.db2.gz ZPQTYXVEEYBYBQ-ZDUSSCGKSA-N 1 0 272.396 2.217 10 0 CEAERO [NH3+]CCCc1nnc(-c2cccc(Br)c2)o1 ZINC000050283602 527183239 /nfs/dbraw/zinc/18/32/39/527183239.db2.gz JECUHKPSQOIPHT-UHFFFAOYSA-N 1 0 282.141 2.390 10 0 CEAERO [NH3+]CCCc1noc(-c2cccc3ncccc32)n1 ZINC000061418924 527184236 /nfs/dbraw/zinc/18/42/36/527184236.db2.gz KDMNXNFSMAQRGF-UHFFFAOYSA-N 1 0 254.293 2.176 10 0 CEAERO [NH3+]CCc1ccnc(Cc2ccc(F)cc2Cl)n1 ZINC000062609312 527197365 /nfs/dbraw/zinc/19/73/65/527197365.db2.gz UMYLLTIYJXLBHY-UHFFFAOYSA-N 1 0 265.719 2.361 10 0 CEAERO [NH3+]CCc1ccccc1OCC(=O)NC1CCCCCC1 ZINC000053342116 527197537 /nfs/dbraw/zinc/19/75/37/527197537.db2.gz KXIHRWBQPZNNEW-UHFFFAOYSA-N 1 0 290.407 2.406 10 0 CEAERO [NH3+]C[C@H]1C[C@@H]1c1cc(Br)c2c(c1)OCCO2 ZINC000054586942 527242303 /nfs/dbraw/zinc/24/23/03/527242303.db2.gz ZBFRLLHVNDLLBG-RKDXNWHRSA-N 1 0 284.153 2.283 10 0 CEAERO [NH3+]Cc1ccnc(-c2ccccc2Br)n1 ZINC000054791070 527260681 /nfs/dbraw/zinc/26/06/81/527260681.db2.gz QCAFYCNDKRGKNK-UHFFFAOYSA-N 1 0 264.126 2.365 10 0 CEAERO [NH3+]Cc1cccc(NC(=O)OCC2CCOCC2)c1 ZINC000052155363 527259201 /nfs/dbraw/zinc/25/92/01/527259201.db2.gz ZOOWVCFXLGMGSU-UHFFFAOYSA-N 1 0 264.325 2.120 10 0 CEAERO [NH3+]Cc1cnn([C@@H]2CCC[C@H]2O)c1-c1ccccc1 ZINC000054599537 527264158 /nfs/dbraw/zinc/26/41/58/527264158.db2.gz DHAZBXXNTMIUCG-ZIAGYGMSSA-N 1 0 257.337 2.095 10 0 CEAERO [NH3+]Cc1occc1CN1CCN(c2ccc(F)cc2)CC1 ZINC000052418210 527268298 /nfs/dbraw/zinc/26/82/98/527268298.db2.gz NBLXXYCPCVPRTN-UHFFFAOYSA-N 1 0 289.354 2.200 10 0 CEAERO Cc1ncc(CNC[C@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)s1 ZINC000049538893 527272539 /nfs/dbraw/zinc/27/25/39/527272539.db2.gz YWAGBLRRUAMIKH-SCRDCRAPSA-N 1 0 265.426 2.462 10 0 CEAERO NNc1ccc(C(=O)N2CCC[C@H]2C2CCCC2)c[nH+]1 ZINC000051113213 527275137 /nfs/dbraw/zinc/27/51/37/527275137.db2.gz CKPSYLOOICYZMJ-ZDUSSCGKSA-N 1 0 274.368 2.162 10 0 CEAERO NNc1ccc(C(=O)Nc2cccc(Cl)c2)c[nH+]1 ZINC000051096290 527277681 /nfs/dbraw/zinc/27/76/81/527277681.db2.gz BKBCAOWPNVDRLV-UHFFFAOYSA-N 1 0 262.700 2.273 10 0 CEAERO O=S1(=O)CC[C@@H]([C@H](C[NH2+]C2CC2)Cc2ccccc2)C1 ZINC000052951555 527310285 /nfs/dbraw/zinc/31/02/85/527310285.db2.gz FOZYWGRAXWCAAN-CABCVRRESA-N 1 0 293.432 2.032 10 0 CEAERO Cn1cc([C@H]([NH3+])C2(c3ccccc3)CCOCC2)cn1 ZINC000062783645 527313710 /nfs/dbraw/zinc/31/37/10/527313710.db2.gz OSHKEDNCOTUQHG-HNNXBMFYSA-N 1 0 271.364 2.168 10 0 CEAERO [NH3+][C@@H](CN1Cc2ccccc2C1)c1ccc2c(c1)OCO2 ZINC000050911031 527331475 /nfs/dbraw/zinc/33/14/75/527331475.db2.gz IQTHKWPXBABJCQ-HNNXBMFYSA-N 1 0 282.343 2.431 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1NC(=O)Cc1ccc2ccccc2c1 ZINC000063173206 527359179 /nfs/dbraw/zinc/35/91/79/527359179.db2.gz XSGBQUBAQGZFNK-HZPDHXFCSA-N 1 0 268.360 2.378 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C3(c4ccccc4)CC3)C[C@@H]2C1 ZINC000061618336 527366957 /nfs/dbraw/zinc/36/69/57/527366957.db2.gz JCLVCCGUNIUHRZ-IJEWVQPXSA-N 1 0 284.403 2.304 10 0 CEAERO [NH3+][C@@H]1COc2cc(OC[C@@H](O)c3ccccc3)ccc21 ZINC000062803659 527376392 /nfs/dbraw/zinc/37/63/92/527376392.db2.gz OOOHVHBBKAXODN-HUUCEWRRSA-N 1 0 271.316 2.191 10 0 CEAERO [NH3+][C@H](c1ccc2c(c1)OCCCO2)[C@@H]1CCCOC1 ZINC000062230475 527391096 /nfs/dbraw/zinc/39/10/96/527391096.db2.gz XOPTYCRNDVZALT-IUODEOHRSA-N 1 0 263.337 2.274 10 0 CEAERO [NH3+][C@H](c1ccc(Cl)c(Cl)c1)[C@H]1COCCO1 ZINC000055299132 527391606 /nfs/dbraw/zinc/39/16/06/527391606.db2.gz GBANYBUJRQHRND-GHMZBOCLSA-N 1 0 262.136 2.409 10 0 CEAERO [NH3+][C@H]1CCCCC[C@@H]1NC(=O)NC1CCCCC1 ZINC000063212689 527393640 /nfs/dbraw/zinc/39/36/40/527393640.db2.gz ANJQKGJBVORUNV-STQMWFEESA-N 1 0 253.390 2.278 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1CC(=O)N(CCO)C1CCCCC1 ZINC000055133303 527396828 /nfs/dbraw/zinc/39/68/28/527396828.db2.gz XBCTYWOOLAWNOW-HIFRSBDPSA-N 1 0 282.428 2.048 10 0 CEAERO [NH3+][C@H]1CCCN(c2ccccc2OCC2CCOCC2)C1 ZINC000052175078 527401910 /nfs/dbraw/zinc/40/19/10/527401910.db2.gz YLJXSSILFZPLAK-HNNXBMFYSA-N 1 0 290.407 2.420 10 0 CEAERO [NH3+][C@H]1CCC[C@H](CC(=O)N(CCO)C2CCCCC2)C1 ZINC000055133360 527406779 /nfs/dbraw/zinc/40/67/79/527406779.db2.gz JPVUNCLHJXVAJU-KBPBESRZSA-N 1 0 282.428 2.048 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1NC(=O)c1cccc2ccccc21 ZINC000063173155 527407285 /nfs/dbraw/zinc/40/72/85/527407285.db2.gz LMZZPRQRPWREIE-LSDHHAIUSA-N 1 0 254.333 2.449 10 0 CEAERO [NH3+][C@H]1CCc2c1cccc2OCCCn1ccnc1 ZINC000062798242 527416766 /nfs/dbraw/zinc/41/67/66/527416766.db2.gz PIAGGXLHBIFPFR-AWEZNQCLSA-N 1 0 257.337 2.298 10 0 CEAERO [NH3+][C@H]1COc2cc(OC[C@@H](O)c3ccccc3)ccc21 ZINC000062803657 527417453 /nfs/dbraw/zinc/41/74/53/527417453.db2.gz OOOHVHBBKAXODN-LSDHHAIUSA-N 1 0 271.316 2.191 10 0 CEAERO [NH3+][C@H]1Cc2ccccc2N(C(=O)c2ccc(F)cc2)C1 ZINC000070195727 527420133 /nfs/dbraw/zinc/42/01/33/527420133.db2.gz PVYCORJDFMTZJL-AWEZNQCLSA-N 1 0 270.307 2.356 10 0 CEAERO Cc1nccn1C[C@H]1CC[C@H](C[NH2+]C(C)(C)C)O1 ZINC000052576197 527449297 /nfs/dbraw/zinc/44/92/97/527449297.db2.gz XUGAFPVISGMWQJ-CHWSQXEVSA-N 1 0 251.374 2.127 10 0 CEAERO O=c1ccc(Br)cn1CC[C@@H]1CCC[NH2+]C1 ZINC000051919946 527485866 /nfs/dbraw/zinc/48/58/66/527485866.db2.gz KHNMNUGJMVBYGL-JTQLQIEISA-N 1 0 285.185 2.001 10 0 CEAERO Cn1cnnc1Sc1cc(Cl)ccc1C[NH3+] ZINC000062787250 527529746 /nfs/dbraw/zinc/52/97/46/527529746.db2.gz ZOTVHOQQRFUGLH-UHFFFAOYSA-N 1 0 254.746 2.078 10 0 CEAERO OC[C@@H](Cc1ccccc1)[NH2+]CC1(O)CCCCCC1 ZINC000063219991 527580752 /nfs/dbraw/zinc/58/07/52/527580752.db2.gz NQXMLCOKYBHXLE-MRXNPFEDSA-N 1 0 277.408 2.265 10 0 CEAERO OCc1cccc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000061702233 527637726 /nfs/dbraw/zinc/63/77/26/527637726.db2.gz GNFGZACQHPUPLI-MRXNPFEDSA-N 1 0 284.359 2.227 10 0 CEAERO FC(F)(F)Cc1noc(CCC2CC[NH2+]CC2)n1 ZINC000050928244 527673371 /nfs/dbraw/zinc/67/33/71/527673371.db2.gz RSZZIDFMQREBQQ-UHFFFAOYSA-N 1 0 263.263 2.107 10 0 CEAERO CCC[C@H](C(=O)Nc1ccc2c(c1)NC(=O)CC2)[NH+](C)C ZINC000119515997 527988917 /nfs/dbraw/zinc/98/89/17/527988917.db2.gz GOXKJVFKVQYBTR-CQSZACIVSA-N 1 0 289.379 2.240 10 0 CEAERO CCCn1ccc(C[NH2+]CCC(=O)N2CCCCC2)c1 ZINC000123742312 528849081 /nfs/dbraw/zinc/84/90/81/528849081.db2.gz DSSQKILKCPHWSI-UHFFFAOYSA-N 1 0 277.412 2.390 10 0 CEAERO CC[C@@H](O)CC[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000132819377 529223803 /nfs/dbraw/zinc/22/38/03/529223803.db2.gz XUALYNBJEFGGTL-GXFFZTMASA-N 1 0 253.390 2.331 10 0 CEAERO COC(=O)c1ccc(N2CCCC[C@@H]2C[NH3+])c(F)c1F ZINC000094271988 536732975 /nfs/dbraw/zinc/73/29/75/536732975.db2.gz KPXOHSKOHRFECQ-SECBINFHSA-N 1 0 284.306 2.069 10 0 CEAERO COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)CC2 ZINC000228297584 538811002 /nfs/dbraw/zinc/81/10/02/538811002.db2.gz KOLPZYNPSHBCJR-BZUAXINKSA-N 1 0 275.392 2.446 10 0 CEAERO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000119949633 538814607 /nfs/dbraw/zinc/81/46/07/538814607.db2.gz KKUQVVGZUZCUHH-IPYPFGDCSA-N 1 0 297.420 2.006 10 0 CEAERO Brc1cncc(NC2CC[NH2+]CC2)c1 ZINC000237973009 574492407 /nfs/dbraw/zinc/49/24/07/574492407.db2.gz NNUGGPGOWNLNMD-UHFFFAOYSA-N 1 0 256.147 2.008 10 0 CEAERO COCC[C@H](C)[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253087355 574504478 /nfs/dbraw/zinc/50/44/78/574504478.db2.gz DBIXAQXTYKXXTL-YJNKXOJESA-N 1 0 255.402 2.427 10 0 CEAERO CC1(C)C[NH2+][C@@]2(CCCSC2)OC12CCOCC2 ZINC000757139850 574510182 /nfs/dbraw/zinc/51/01/82/574510182.db2.gz HUUMUSIBYODMEI-AWEZNQCLSA-N 1 0 271.426 2.405 10 0 CEAERO CCCN(CCC)S(=O)(=O)C[C@@H]([NH3+])C1CCCCC1 ZINC000757152415 574510846 /nfs/dbraw/zinc/51/08/46/574510846.db2.gz LTRMPZJEOSWJBB-CQSZACIVSA-N 1 0 290.473 2.346 10 0 CEAERO CC1(C)CCN(S(=O)(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000757153362 574511094 /nfs/dbraw/zinc/51/10/94/574511094.db2.gz ORAWQQRBCRPKJF-CQSZACIVSA-N 1 0 296.436 2.138 10 0 CEAERO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@@]34C[C@@H](CO3)[C@@H]24)C1 ZINC000725272066 567925184 /nfs/dbraw/zinc/92/51/84/567925184.db2.gz YOJVJTBIOOUEDB-NMNMXBMNSA-N 1 0 293.407 2.219 10 0 CEAERO Nc1[nH+]ccn1Cc1ccc(Br)cc1F ZINC000037483160 570248465 /nfs/dbraw/zinc/24/84/65/570248465.db2.gz SAFGLYHIIDFNIK-UHFFFAOYSA-N 1 0 270.105 2.415 10 0 CEAERO CCC[C@H](C[NH3+])[C@@H](O)c1cnn(Cc2ccccc2)c1 ZINC000394426743 570282006 /nfs/dbraw/zinc/28/20/06/570282006.db2.gz ADDUIKCTDBSDOD-GDBMZVCRSA-N 1 0 273.380 2.340 10 0 CEAERO CC[C@@H](COC)[NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC000309861719 625331801 /nfs/dbraw/zinc/33/18/01/625331801.db2.gz IWGBMPNPODEJQA-NEPJUHHUSA-N 1 0 274.405 2.256 10 0 CEAERO C[N@@H+](Cc1ncc[nH]1)C[C@H]1CCOc2ccccc2C1 ZINC000095511165 625491241 /nfs/dbraw/zinc/49/12/41/625491241.db2.gz GVLAWIUYEPINAX-ZDUSSCGKSA-N 1 0 271.364 2.483 10 0 CEAERO O[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@H](C(F)(F)F)C2)C1 ZINC000310435336 625566147 /nfs/dbraw/zinc/56/61/47/625566147.db2.gz RBRNWWVJDCKMCG-OUAUKWLOSA-N 1 0 251.292 2.422 10 0 CEAERO CCc1ccc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)s1 ZINC000248608484 622543780 /nfs/dbraw/zinc/54/37/80/622543780.db2.gz KKDMQVVPFXDHTE-ZMLRMANQSA-N 1 0 264.394 2.120 10 0 CEAERO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+][C@@H](C)c1cccs1 ZINC000310490767 625577332 /nfs/dbraw/zinc/57/73/32/625577332.db2.gz IGVHJNZMHDCBEK-VWYCJHECSA-N 1 0 252.383 2.456 10 0 CEAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@H]1c1cccs1 ZINC000757192299 622965380 /nfs/dbraw/zinc/96/53/80/622965380.db2.gz YENGQUYOXVKMAS-NXEZZACHSA-N 1 0 253.367 2.393 10 0 CEAERO C[C@H](Cc1ccccc1Cl)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000235488855 625611359 /nfs/dbraw/zinc/61/13/59/625611359.db2.gz XIOXODKULYXKGL-NQBHXWOUSA-N 1 0 280.799 2.243 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cn1ncsc1=S ZINC000177158098 625620656 /nfs/dbraw/zinc/62/06/56/625620656.db2.gz UGZWUCNTVPDABM-SNVBAGLBSA-N 1 0 272.443 2.048 10 0 CEAERO COc1ccc([C@H](C)[NH2+]C[C@@H](O)C2CC2)cc1OC ZINC000071299968 623139139 /nfs/dbraw/zinc/13/91/39/623139139.db2.gz ADHZURGQTDPZQJ-GXFFZTMASA-N 1 0 265.353 2.125 10 0 CEAERO OC[C@@H]1C[C@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000308913651 625675406 /nfs/dbraw/zinc/67/54/06/625675406.db2.gz GIQKVXVOBVUJQE-GZMMTYOYSA-N 1 0 274.133 2.059 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000234416829 624014979 /nfs/dbraw/zinc/01/49/79/624014979.db2.gz APUMFJGEPZBHDT-IKMFHRHGSA-N 1 0 264.413 2.317 10 0 CEAERO [NH3+]C1CC(C(=O)Nc2cccc(Br)c2)C1 ZINC000258619187 624095241 /nfs/dbraw/zinc/09/52/41/624095241.db2.gz CDNLOBGPPJBWJD-UHFFFAOYSA-N 1 0 269.142 2.125 10 0 CEAERO C[NH2+]CCc1noc(COc2cccc(Cl)c2)n1 ZINC000051850578 624623074 /nfs/dbraw/zinc/62/30/74/624623074.db2.gz BUABAKTZHOLFMQ-UHFFFAOYSA-N 1 0 267.716 2.064 10 0 CEAERO C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2)C[C@H]1[NH3+] ZINC000235339944 624711664 /nfs/dbraw/zinc/71/16/64/624711664.db2.gz DZDFVZOXFJJHMM-LDYMZIIASA-N 1 0 272.270 2.125 10 0 CEAERO Cc1cnn(CC[NH2+][C@H]2CCOC3(CCCC3)C2)c1 ZINC000236010776 625827542 /nfs/dbraw/zinc/82/75/42/625827542.db2.gz IBNYLUZJKDSNPN-AWEZNQCLSA-N 1 0 263.385 2.273 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)c1cc(Oc2ccccc2)ccn1 ZINC000261699179 627371845 /nfs/dbraw/zinc/37/18/45/627371845.db2.gz IYXIFNUZJIDZPI-GFCCVEGCSA-N 1 0 285.347 2.212 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@@H]([NH3+])CC2CC2)cc1F ZINC000311363554 627648155 /nfs/dbraw/zinc/64/81/55/627648155.db2.gz PIUQYHMRCQKYEU-HZMBPMFUSA-N 1 0 264.344 2.439 10 0 CEAERO CC(=O)[C@@H]1CCCN(CC(=O)Nc2ccccc2C)C1 ZINC000111689992 627828048 /nfs/dbraw/zinc/82/80/48/627828048.db2.gz IGXWFDZUCDDRHZ-CQSZACIVSA-N 1 0 274.364 2.235 10 0 CEAERO C[C@H]([NH2+]C1CCC(O)(C(F)(F)F)CC1)[C@H]1CCCO1 ZINC000396319705 628207011 /nfs/dbraw/zinc/20/70/11/628207011.db2.gz IUWIIKJZHYDONQ-UZEXVOJHSA-N 1 0 281.318 2.380 10 0 CEAERO CC(C)C[C@H](CN(C)C)[NH2+]Cc1ccc(F)nc1 ZINC000189053714 628302558 /nfs/dbraw/zinc/30/25/58/628302558.db2.gz YDNWCTSWXUUJQP-CYBMUJFWSA-N 1 0 253.365 2.287 10 0 CEAERO C[C@H]([NH2+]CCc1ccccc1)C(=O)NCc1ccco1 ZINC000020303670 628523280 /nfs/dbraw/zinc/52/32/80/628523280.db2.gz UYMPDXBMFFVWFM-ZDUSSCGKSA-N 1 0 272.348 2.117 10 0 CEAERO C1CC(C(c2noc([C@@H]3C[NH2+]CCO3)n2)C2CCC2)C1 ZINC000312946221 628565798 /nfs/dbraw/zinc/56/57/98/628565798.db2.gz JJJFHYRHBKEKNC-LBPRGKRZSA-N 1 0 277.368 2.414 10 0 CEAERO Cc1csc2c1ncnc2N1CC[C@H](CC[NH3+])C1 ZINC000222405594 628852509 /nfs/dbraw/zinc/85/25/09/628852509.db2.gz ZSVMMJMYWMBRBM-JTQLQIEISA-N 1 0 262.382 2.175 10 0 CEAERO C[C@@H](CCCO)[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000094944161 628883877 /nfs/dbraw/zinc/88/38/77/628883877.db2.gz JKRDYLCLYXJOJX-GWCFXTLKSA-N 1 0 291.313 2.489 10 0 CEAERO Cc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)c(Cl)c1 ZINC000261559664 628939051 /nfs/dbraw/zinc/93/90/51/628939051.db2.gz TXKHXQDLEMYMQQ-BXKDBHETSA-N 1 0 252.745 2.210 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1Cc1ccc(F)c2cccnc12 ZINC000261581838 628941535 /nfs/dbraw/zinc/94/15/35/628941535.db2.gz GJIUTVQZLRKPKK-QMTHXVAHSA-N 1 0 259.328 2.295 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1cccc(Br)c1 ZINC000261582370 628942115 /nfs/dbraw/zinc/94/21/15/628942115.db2.gz OGTLAAHSOIVMMK-GZMMTYOYSA-N 1 0 283.169 2.011 10 0 CEAERO CC1CCC(CNC(=O)CC[C@H]2CCC[NH2+]2)CC1 ZINC000261584447 628942122 /nfs/dbraw/zinc/94/21/22/628942122.db2.gz SGAHZYQVBJRBHO-JXQTWKCFSA-N 1 0 252.402 2.461 10 0 CEAERO COC[C@@]1(C(=O)N[C@H](C)c2ccc(Cl)cc2)CC[NH2+]C1 ZINC000261657466 628964485 /nfs/dbraw/zinc/96/44/85/628964485.db2.gz DSRGWFHVVAVFJT-IAQYHMDHSA-N 1 0 296.798 2.143 10 0 CEAERO Cc1cc(NC(=O)C[C@@H]2CCC[NH2+]C2)cnc1Cl ZINC000235877013 628971619 /nfs/dbraw/zinc/97/16/19/628971619.db2.gz HDLYDIWVGBTUMG-JTQLQIEISA-N 1 0 267.760 2.372 10 0 CEAERO CCc1csc([C@@H]2CCCN(C(=O)C[C@@H](C)[NH3+])C2)n1 ZINC000261791832 629237626 /nfs/dbraw/zinc/23/76/26/629237626.db2.gz KIYFGBRGAZVIGK-GHMZBOCLSA-N 1 0 281.425 2.149 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)Cc1ccc2ccccc2c1 ZINC000261800585 629245855 /nfs/dbraw/zinc/24/58/55/629245855.db2.gz RHOASKCLRKZTJO-WBMJQRKESA-N 1 0 268.360 2.330 10 0 CEAERO Cc1cccc(OCCNC(=O)CC[C@H]2CCC[NH2+]2)c1 ZINC000261825545 629259093 /nfs/dbraw/zinc/25/90/93/629259093.db2.gz UGEJJLGWBMCWBE-CQSZACIVSA-N 1 0 276.380 2.022 10 0 CEAERO COC(=O)CCCCCCCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000237141903 629407983 /nfs/dbraw/zinc/40/79/83/629407983.db2.gz RHMGLAFYPIKWGD-KGLIPLIRSA-N 1 0 298.427 2.134 10 0 CEAERO C[NH+](C)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000048666248 629427579 /nfs/dbraw/zinc/42/75/79/629427579.db2.gz XAPVFPZSVWZECA-JLHYYAGUSA-N 1 0 294.420 2.013 10 0 CEAERO CC[N@@H+]1CCN(C[C@H](O)c2cc3ccccc3o2)C[C@@H]1C ZINC000110735733 632249843 /nfs/dbraw/zinc/24/98/43/632249843.db2.gz XXTLTKJEPPJFOR-ZFWWWQNUSA-N 1 0 288.391 2.492 10 0 CEAERO CC(C)c1nc(C(=O)N[C@H]2CCC[NH2+][C@H]2C)cs1 ZINC000193524601 633896414 /nfs/dbraw/zinc/89/64/14/633896414.db2.gz ZBYGAMVDEOKSQH-UWVGGRQHSA-N 1 0 267.398 2.137 10 0 CEAERO Cc1ccc(CN(CC[NH+](C)C)Cc2ncc[nH]2)s1 ZINC000055089305 639340414 /nfs/dbraw/zinc/34/04/14/639340414.db2.gz UNYSXSBAXXXANR-UHFFFAOYSA-N 1 0 278.425 2.343 10 0 CEAERO Cc1ccc(C(=O)NCC2(C[NH+](C)C)CCOCC2)s1 ZINC000223584797 639431713 /nfs/dbraw/zinc/43/17/13/639431713.db2.gz YTKDAADNNFRRAJ-UHFFFAOYSA-N 1 0 296.436 2.145 10 0 CEAERO CC(=O)[C@@H]1CCC[N@H+](C[C@@](C)(O)c2ccccc2)C1 ZINC000224869343 639466571 /nfs/dbraw/zinc/46/65/71/639466571.db2.gz PCXOYDUQZUFPKZ-GDBMZVCRSA-N 1 0 261.365 2.195 10 0 CEAERO CC(C)Oc1ccccc1CC(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000157672836 639512224 /nfs/dbraw/zinc/51/22/24/639512224.db2.gz DKQPOPVULLZSCV-GJZGRUSLSA-N 1 0 290.407 2.260 10 0 CEAERO CCO[C@@H]1CCC[N@H+](C[C@@](C)(O)c2ccccc2)C1 ZINC000226149877 639525250 /nfs/dbraw/zinc/52/52/50/639525250.db2.gz AKSPNXUMOYYESY-HZPDHXFCSA-N 1 0 263.381 2.395 10 0 CEAERO CCCOc1ccnc(NC[C@@H]([NH3+])c2ccccc2)n1 ZINC000226654401 639561719 /nfs/dbraw/zinc/56/17/19/639561719.db2.gz GWGVGEBKKMWURU-CYBMUJFWSA-N 1 0 272.352 2.377 10 0 CEAERO CC(C)[C@@H]1CCCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000227804696 639605617 /nfs/dbraw/zinc/60/56/17/639605617.db2.gz JMOCPFFKAYOXQS-MGPQQGTHSA-N 1 0 252.402 2.399 10 0 CEAERO [NH3+][C@@H]1CC[C@H](c2nc([C@@H]3COc4ccccc4O3)no2)C1 ZINC000227869899 639608192 /nfs/dbraw/zinc/60/81/92/639608192.db2.gz IQKFSPJYFDXESE-CWSCBRNRSA-N 1 0 287.319 2.177 10 0 CEAERO Cc1cc(N2CC[C@H]([C@H](C)[NH3+])C2)ncc1Br ZINC000228899158 639663690 /nfs/dbraw/zinc/66/36/90/639663690.db2.gz IEXCRNDMNVNOGO-UWVGGRQHSA-N 1 0 284.201 2.326 10 0 CEAERO Nc1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000061702179 639722568 /nfs/dbraw/zinc/72/25/68/639722568.db2.gz PYEAPJZYTPYPJA-OAHLLOKOSA-N 1 0 269.348 2.317 10 0 CEAERO Cc1ccc(CCC(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000061883712 639727138 /nfs/dbraw/zinc/72/71/38/639727138.db2.gz HZYAEPRTTYORAT-CABCVRRESA-N 1 0 260.381 2.171 10 0 CEAERO CC1CCN(c2ccc(NC(=O)[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000062116097 639735488 /nfs/dbraw/zinc/73/54/88/639735488.db2.gz CLVGEWGDEOUBNG-AWEZNQCLSA-N 1 0 287.407 2.471 10 0 CEAERO c1cn(CN2CC[N@@H+]3CCC[C@@H]3C2)nc1-c1ccccc1 ZINC000172504174 639770176 /nfs/dbraw/zinc/77/01/76/639770176.db2.gz AHCBFJMDESTBJI-MRXNPFEDSA-N 1 0 282.391 2.288 10 0 CEAERO Fc1cccc(Cc2nc(C[C@@H]3CCC[NH2+]C3)no2)c1 ZINC000063084564 639823464 /nfs/dbraw/zinc/82/34/64/639823464.db2.gz NAQJSTJGULXANL-LBPRGKRZSA-N 1 0 275.327 2.342 10 0 CEAERO Cc1ccc(NC(=O)CN(C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000231670980 639872173 /nfs/dbraw/zinc/87/21/73/639872173.db2.gz CYIZLCJMNPGAAD-HNNXBMFYSA-N 1 0 275.396 2.007 10 0 CEAERO CO[C@H](C)CC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000173925916 639883350 /nfs/dbraw/zinc/88/33/50/639883350.db2.gz ZHRWVTKPMSQZHN-OLZOCXBDSA-N 1 0 287.363 2.475 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc2cnn(CC)c2c1 ZINC000153393247 640483322 /nfs/dbraw/zinc/48/33/22/640483322.db2.gz SQGHJOIUMKONID-QMTHXVAHSA-N 1 0 274.368 2.368 10 0 CEAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@@H](O)c1ccccc1Cl ZINC000324431570 640575670 /nfs/dbraw/zinc/57/56/70/640575670.db2.gz BQVPVEYFQOZPSE-OLZOCXBDSA-N 1 0 271.788 2.370 10 0 CEAERO Cc1cc(C)cc(OCCNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000237842700 641389618 /nfs/dbraw/zinc/38/96/18/641389618.db2.gz UUHWQIFMDMUCGX-CABCVRRESA-N 1 0 290.407 2.316 10 0 CEAERO Cc1cnn(-c2ccc(C(=O)N[C@H]3CCC[C@H]3C[NH3+])cc2)c1 ZINC000237917176 641398904 /nfs/dbraw/zinc/39/89/04/641398904.db2.gz IKTXODKFGFBQKA-HOCLYGCPSA-N 1 0 298.390 2.038 10 0 CEAERO C[NH2+][C@@H](C)CNCc1cc(Br)cs1 ZINC000070600572 641685775 /nfs/dbraw/zinc/68/57/75/641685775.db2.gz BASAHFILXHNWKR-ZETCQYMHSA-N 1 0 263.204 2.208 10 0 CEAERO C[C@@H](Cc1ccccc1)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000183386260 641732981 /nfs/dbraw/zinc/73/29/81/641732981.db2.gz UNPBDXWIKQYPNY-AWEZNQCLSA-N 1 0 274.408 2.371 10 0 CEAERO Cc1cc2c(ncnc2N2CCC(C[NH3+])CC2)s1 ZINC000111612962 643908484 /nfs/dbraw/zinc/90/84/84/643908484.db2.gz WOCAZXHOBMVHQS-UHFFFAOYSA-N 1 0 262.382 2.175 10 0 CEAERO CC(=O)C1CC[NH+](C[C@@](C)(O)c2ccccc2)CC1 ZINC000111690480 643934173 /nfs/dbraw/zinc/93/41/73/643934173.db2.gz NLRAPGUOMYBBNR-MRXNPFEDSA-N 1 0 261.365 2.195 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC1(Cl)Cl ZINC000119461292 646726052 /nfs/dbraw/zinc/72/60/52/646726052.db2.gz QVPOWVCFPATHPM-MNOVXSKESA-N 1 0 293.238 2.417 10 0 CEAERO C[C@@H](NC(=O)C[C@H]([NH3+])C1CC1)c1ccc(F)c(F)c1 ZINC000123661454 649095704 /nfs/dbraw/zinc/09/57/04/649095704.db2.gz VLTAYGKKNRVSKD-OQPBUACISA-N 1 0 268.307 2.269 10 0 CEAERO Cc1cc(Br)cc(C(=O)N2CCC[C@H]([NH3+])C2)c1 ZINC000131439804 652425157 /nfs/dbraw/zinc/42/51/57/652425157.db2.gz VPMXCMJWZSUAAT-LBPRGKRZSA-N 1 0 297.196 2.321 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@@H](C2(C[NH3+])CC2)C1 ZINC000214547941 652427530 /nfs/dbraw/zinc/42/75/30/652427530.db2.gz HRDJYOMKFATYKY-LLVKDONJSA-N 1 0 254.374 2.372 10 0 CEAERO COc1ccc(-c2noc(C3(N)CCOCC3)n2)cc1C ZINC000131891357 652479183 /nfs/dbraw/zinc/47/91/83/652479183.db2.gz FSIWDNOPNLUZGM-UHFFFAOYSA-N 1 0 289.335 2.018 10 0 CEAERO CN(C)c1nccc(NCC[NH2+]C2CCCCCC2)n1 ZINC000133541660 652648745 /nfs/dbraw/zinc/64/87/45/652648745.db2.gz AGPYGAYCDXOWGA-UHFFFAOYSA-N 1 0 277.416 2.267 10 0 CEAERO [NH3+]CCCC(=O)Nc1ccc(-c2ccncc2)cc1 ZINC000082257096 177930600 /nfs/dbraw/zinc/93/06/00/177930600.db2.gz UXVNUAZVOIOBOY-UHFFFAOYSA-N 1 0 255.321 2.426 10 0 CEAERO CC(C)(NC(=O)N1CCC([NH3+])CC1)c1ccccc1F ZINC000082274306 177941580 /nfs/dbraw/zinc/94/15/80/177941580.db2.gz IIXWEMROSVEATO-UHFFFAOYSA-N 1 0 279.359 2.194 10 0 CEAERO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc3ccccc3n2)C[C@H]1C ZINC000124589718 187144509 /nfs/dbraw/zinc/14/45/09/187144509.db2.gz RUSZORCPGVCUEN-HUUCEWRRSA-N 1 0 299.418 2.122 10 0 CEAERO Brc1cccnc1NCC[C@H]1CC[NH2+]C1 ZINC000082487654 178056592 /nfs/dbraw/zinc/05/65/92/178056592.db2.gz YBJPKJRCWCKOFK-SECBINFHSA-N 1 0 270.174 2.256 10 0 CEAERO CCOCC[NH+]1CCN(Cc2ccc3ccccc3n2)CC1 ZINC000124595930 187144959 /nfs/dbraw/zinc/14/49/59/187144959.db2.gz WIJVFSDVXGHRBD-UHFFFAOYSA-N 1 0 299.418 2.389 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1ccncn1)C(F)(F)F ZINC000082535227 178089018 /nfs/dbraw/zinc/08/90/18/178089018.db2.gz UWOPQFRHPSCVAR-POYBYMJQSA-N 1 0 251.277 2.237 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc(Br)c1 ZINC000082558841 178095217 /nfs/dbraw/zinc/09/52/17/178095217.db2.gz RZZFYICZPPTNLK-KWQFWETISA-N 1 0 283.169 2.243 10 0 CEAERO Cc1csc(Sc2c(C[NH3+])c(C)nn2C)n1 ZINC000082583877 178120170 /nfs/dbraw/zinc/12/01/70/178120170.db2.gz ATSSXQOFMZFBPK-UHFFFAOYSA-N 1 0 254.384 2.103 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1NC(=O)c1sccc1Br ZINC000082614192 178126797 /nfs/dbraw/zinc/12/67/97/178126797.db2.gz WYOWAAVLKYOUDV-SFYZADRCSA-N 1 0 289.198 2.120 10 0 CEAERO Cc1nn(C)c(Sc2cccs2)c1CC[NH3+] ZINC000082617161 178127181 /nfs/dbraw/zinc/12/71/81/178127181.db2.gz QARKKXYEBZBDLX-UHFFFAOYSA-N 1 0 253.396 2.442 10 0 CEAERO COc1ccc(CN2CCC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC000095936768 185034191 /nfs/dbraw/zinc/03/41/91/185034191.db2.gz XMVWLYSTZABKHZ-INIZCTEOSA-N 1 0 260.381 2.413 10 0 CEAERO C[N@@H+]1CCCC[C@@H]1CNc1ncc(Br)cn1 ZINC000082662046 178150260 /nfs/dbraw/zinc/15/02/60/178150260.db2.gz WRKVHLORMXXQMC-SNVBAGLBSA-N 1 0 285.189 2.135 10 0 CEAERO [NH3+]Cc1cc(Br)ccc1OC[C@@H]1CCCO1 ZINC000034957932 361799954 /nfs/dbraw/zinc/79/99/54/361799954.db2.gz XZUHBGMLOBVERL-NSHDSACASA-N 1 0 286.169 2.466 10 0 CEAERO Cn1cc([C@H]([NH3+])c2cccc(Br)c2)cn1 ZINC000034957616 361799977 /nfs/dbraw/zinc/79/99/77/361799977.db2.gz HDCLLWGDKBAENC-LLVKDONJSA-N 1 0 266.142 2.231 10 0 CEAERO Cn1cc([C@@H]([NH3+])c2ccc(Br)cc2F)cn1 ZINC000034957615 361800200 /nfs/dbraw/zinc/80/02/00/361800200.db2.gz LPYZSTBQXYOIJM-LLVKDONJSA-N 1 0 284.132 2.370 10 0 CEAERO Cc1noc([C@H]2C[C@H]3OCC[C@H]3[N@H+](Cc3ccco3)C2)n1 ZINC000096057618 185077185 /nfs/dbraw/zinc/07/71/85/185077185.db2.gz NOYSDUDNYSKUBB-IACUBPJLSA-N 1 0 289.335 2.118 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C1(CCOC)CCC1 ZINC000121806725 365617981 /nfs/dbraw/zinc/61/79/81/365617981.db2.gz XRNJHCYQYAODTK-CQSZACIVSA-N 1 0 282.428 2.136 10 0 CEAERO C[S@](=O)C[C@@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000082755577 178278117 /nfs/dbraw/zinc/27/81/17/178278117.db2.gz HYCWZCBZCYHBHZ-JDNHERCYSA-N 1 0 251.273 2.084 10 0 CEAERO C[C@@]([NH3+])(c1nc2cc(Br)cnc2[nH]1)C1CC1 ZINC000082757360 178278218 /nfs/dbraw/zinc/27/82/18/178278218.db2.gz ZIMATGKCXFBHOU-NSHDSACASA-N 1 0 281.157 2.304 10 0 CEAERO C[NH2+][C@](C)(C[C@@H](C)Sc1cccs1)C(N)=O ZINC000082797657 178301185 /nfs/dbraw/zinc/30/11/85/178301185.db2.gz MCYJHPBGMLKWIS-LDYMZIIASA-N 1 0 258.412 2.082 10 0 CEAERO CC[C@H](CC[NH3+])S(=O)(=O)c1cccc(Cl)c1 ZINC000082790975 178295500 /nfs/dbraw/zinc/29/55/00/178295500.db2.gz XLOBWSCEQICYAH-SNVBAGLBSA-N 1 0 261.774 2.241 10 0 CEAERO C[C@H]([NH3+])[C@@H](CO)Sc1ccc(Br)cc1 ZINC000082987969 178332700 /nfs/dbraw/zinc/33/27/00/178332700.db2.gz GRJGRXSJIJLHKR-OIBJUYFYSA-N 1 0 276.199 2.249 10 0 CEAERO C[C@@H](C[NH3+])[C@@H](O)c1ccc(Br)cc1F ZINC000083021731 178334223 /nfs/dbraw/zinc/33/42/23/178334223.db2.gz OCXJPTDLDXNBCE-QUBYGPBYSA-N 1 0 262.122 2.216 10 0 CEAERO CCn1nccc1CN[C@@H](C[NH+](C)C)c1ccccc1 ZINC000125142658 187172050 /nfs/dbraw/zinc/17/20/50/187172050.db2.gz HMOPNBUGYMABMS-INIZCTEOSA-N 1 0 272.396 2.296 10 0 CEAERO C[NH+](C)C[C@@H]1CN([C@H]2CCCc3ccc(F)cc32)CCO1 ZINC000245505052 282128271 /nfs/dbraw/zinc/12/82/71/282128271.db2.gz FOFWBDAMACBYAP-WBVHZDCISA-N 1 0 292.398 2.466 10 0 CEAERO C[C@](O)(C[NH3+])CCCSc1ncccc1Cl ZINC000082917641 178329413 /nfs/dbraw/zinc/32/94/13/178329413.db2.gz AAPJOPPQHREPQS-LLVKDONJSA-N 1 0 260.790 2.317 10 0 CEAERO C[C@H](C[C@@](C)([NH3+])CO)Sc1ccc(Cl)cn1 ZINC000082905430 178329511 /nfs/dbraw/zinc/32/95/11/178329511.db2.gz LMSRCSWHHRBVJO-LDYMZIIASA-N 1 0 260.790 2.315 10 0 CEAERO C[NH2+][C@H](CO)CSc1ccc(Br)cc1 ZINC000082904609 178329542 /nfs/dbraw/zinc/32/95/42/178329542.db2.gz UUXWZIQZGQCICS-SECBINFHSA-N 1 0 276.199 2.122 10 0 CEAERO Cc1ccc(N2CC[NH+](CC(C)(C)O)CC2)cc1C ZINC000125668407 365683088 /nfs/dbraw/zinc/68/30/88/365683088.db2.gz YKGHWBISAQAFJA-UHFFFAOYSA-N 1 0 262.397 2.196 10 0 CEAERO CC[C@@H]1CN(CCc2ccc(F)cc2)[C@H](C)C[NH2+]1 ZINC000083383541 178386150 /nfs/dbraw/zinc/38/61/50/178386150.db2.gz DMTKULLJBMOAFY-IUODEOHRSA-N 1 0 250.361 2.441 10 0 CEAERO Cc1ccc2n1CCN(C(=O)CC1([NH3+])CCCC1)[C@H]2C ZINC000096809677 185114866 /nfs/dbraw/zinc/11/48/66/185114866.db2.gz UMXGIAOOWLKPKL-ZDUSSCGKSA-N 1 0 275.396 2.361 10 0 CEAERO CC[NH2+][C@](CO)(CN(CCC(C)C)C1CC1)C1CC1 ZINC000096837008 185116822 /nfs/dbraw/zinc/11/68/22/185116822.db2.gz WXWPZCCRZBLVRM-INIZCTEOSA-N 1 0 268.445 2.248 10 0 CEAERO COc1ccc(NC(C)=O)cc1[C@H](C)CCC[NH3+] ZINC000096890686 185123797 /nfs/dbraw/zinc/12/37/97/185123797.db2.gz UFCXZBQLKSBJQF-SNVBAGLBSA-N 1 0 250.342 2.496 10 0 CEAERO CCNC(=O)C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000036780436 361857136 /nfs/dbraw/zinc/85/71/36/361857136.db2.gz FAZFHZOCAANTOG-VIFPVBQESA-N 1 0 285.185 2.236 10 0 CEAERO CC(C)(C)OC(=O)NC[C@H]1CC[C@]2(CC[NH2+]C2)C1 ZINC000096897235 185124863 /nfs/dbraw/zinc/12/48/63/185124863.db2.gz YOQRXBODLBGDLM-FZMZJTMJSA-N 1 0 254.374 2.291 10 0 CEAERO N[C@@H]([C@@H]1CC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000096951047 185139340 /nfs/dbraw/zinc/13/93/40/185139340.db2.gz BGABOZASOBRRCL-NEPJUHHUSA-N 1 0 258.287 2.398 10 0 CEAERO CC(C)([NH3+])[C@@H](O)Cc1ccc(Br)cc1 ZINC000096951367 185140079 /nfs/dbraw/zinc/14/00/79/185140079.db2.gz OJVLGKCLLMGYQS-JTQLQIEISA-N 1 0 258.159 2.090 10 0 CEAERO CCOC[C@H](C)n1cncc1C1(C)CC[NH2+]CC1 ZINC000097019307 185153166 /nfs/dbraw/zinc/15/31/66/185153166.db2.gz UOFUMGAZOSDXDL-LBPRGKRZSA-N 1 0 251.374 2.122 10 0 CEAERO CCc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NCCCOC)cc1 ZINC000037980705 361970362 /nfs/dbraw/zinc/97/03/62/361970362.db2.gz LRXPFLRGKMGVRU-KBPBESRZSA-N 1 0 292.423 2.441 10 0 CEAERO C[C@@H](NC(=O)C[NH2+]C1CC1)c1ccc(Cl)cc1 ZINC000040415371 361991725 /nfs/dbraw/zinc/99/17/25/361991725.db2.gz ZYXHYYOGAUBKFO-SECBINFHSA-N 1 0 252.745 2.269 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC1(CC)CC1 ZINC000174959834 529405057 /nfs/dbraw/zinc/40/50/57/529405057.db2.gz PNXQVHXOQDHBJZ-ZIAGYGMSSA-N 1 0 279.428 2.445 10 0 CEAERO CCO[C@H]1C[C@@H]([N@H+](C)CCCNC(C)=O)C12CCCC2 ZINC000125644248 187194394 /nfs/dbraw/zinc/19/43/94/187194394.db2.gz WPSGVAPQSBCCOQ-CABCVRRESA-N 1 0 282.428 2.182 10 0 CEAERO CCCCNC(=O)NCC1([NH3+])C[C@@H](C)C[C@H](C)C1 ZINC000725254951 539200691 /nfs/dbraw/zinc/20/06/91/539200691.db2.gz LBQQFMDOVXGCQW-RYUDHWBXSA-N 1 0 255.406 2.239 10 0 CEAERO CC[NH+]1CCN(c2cc(N)ccc2C(F)(F)F)CC1 ZINC000725263558 539212185 /nfs/dbraw/zinc/21/21/85/539212185.db2.gz QCGDBYIPLBWSRX-UHFFFAOYSA-N 1 0 273.302 2.430 10 0 CEAERO CC(C)(C)C(=O)N1CCC[C@H]([C@@]23CC[C@@H]2CC[NH2+]3)C1 ZINC000725263606 539212223 /nfs/dbraw/zinc/21/22/23/539212223.db2.gz VAVPIJJGYAUEHT-DVOMOZLQSA-N 1 0 264.413 2.413 10 0 CEAERO CCOC(=O)[C@H]1CCC[N@@H+]([C@H]2CCOC23CCCC3)C1 ZINC000725263993 539212690 /nfs/dbraw/zinc/21/26/90/539212690.db2.gz ZQXFCBUPQSZIBC-KBPBESRZSA-N 1 0 281.396 2.363 10 0 CEAERO CC(C)[NH+]1CCN(c2ccc(N)c(OC(F)F)c2)CC1 ZINC000725265302 539213132 /nfs/dbraw/zinc/21/31/32/539213132.db2.gz YWSDIQMDZKLEGC-UHFFFAOYSA-N 1 0 285.338 2.401 10 0 CEAERO Brc1ccc(C[NH2+][C@H]2COC[C@@H]2C2CC2)cn1 ZINC000725269657 539215069 /nfs/dbraw/zinc/21/50/69/539215069.db2.gz PEMYBKQZJTYZKH-NEPJUHHUSA-N 1 0 297.196 2.359 10 0 CEAERO CC[C@H](C)[N@H+](C)C[C@@H](O)CN(C)Cc1ccccc1 ZINC000305259872 539222340 /nfs/dbraw/zinc/22/23/40/539222340.db2.gz XMTDGABVECRJGV-HOCLYGCPSA-N 1 0 264.413 2.210 10 0 CEAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CC3(C2)CCCC3)C1 ZINC000336113432 282203383 /nfs/dbraw/zinc/20/33/83/282203383.db2.gz OOKINHICOYZBOT-CHWSQXEVSA-N 1 0 265.401 2.055 10 0 CEAERO COc1ccc(C)cc1[C@H](C)NC(=O)CC1([NH3+])CC1 ZINC000398122383 539261415 /nfs/dbraw/zinc/26/14/15/539261415.db2.gz HEJKAOYRVRNSNH-NSHDSACASA-N 1 0 262.353 2.062 10 0 CEAERO COC[C@H](C)C[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000131700942 539263374 /nfs/dbraw/zinc/26/33/74/539263374.db2.gz QTSHDUAPGOWDKL-UKRRQHHQSA-N 1 0 250.386 2.161 10 0 CEAERO COc1ccc(C[N@@H+]2CCC[C@@H](O)[C@@H]2C)cc1OC ZINC000294974339 199279631 /nfs/dbraw/zinc/27/96/31/199279631.db2.gz JFXGMWQKRZFHOC-WCQYABFASA-N 1 0 265.353 2.049 10 0 CEAERO COCC[C@@H](C)[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000045018361 362158480 /nfs/dbraw/zinc/15/84/80/362158480.db2.gz DECHERRPBOVWSH-HIFRSBDPSA-N 1 0 250.386 2.304 10 0 CEAERO O[C@H](C[NH2+]CCOc1ccccc1)COc1ccccc1 ZINC000029468624 343400048 /nfs/dbraw/zinc/40/00/48/343400048.db2.gz LRHNPARCJNWBHD-OAHLLOKOSA-N 1 0 287.359 2.095 10 0 CEAERO O[C@@H](C[NH2+]CCOc1ccccc1)COc1ccccc1 ZINC000029468621 343400059 /nfs/dbraw/zinc/40/00/59/343400059.db2.gz LRHNPARCJNWBHD-HNNXBMFYSA-N 1 0 287.359 2.095 10 0 CEAERO C[NH2+]Cc1cc(C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000036468823 343424080 /nfs/dbraw/zinc/42/40/80/343424080.db2.gz XBIIKDVOUWNBDK-UHFFFAOYSA-N 1 0 266.297 2.270 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)NC2C3CC4CC(C3)CC2C4)C1 ZINC000170826234 282261068 /nfs/dbraw/zinc/26/10/68/282261068.db2.gz ATLVJKVPOSKULS-CGAUPDFVSA-N 1 0 291.439 2.157 10 0 CEAERO [NH3+]C1CCC(C(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000037629364 343430319 /nfs/dbraw/zinc/43/03/19/343430319.db2.gz JHRLIVLNOBKSIS-ORHYLEIMSA-N 1 0 274.364 2.144 10 0 CEAERO Cn1c(=O)cc(Nc2c(F)cccc2F)[n+]2ccccc12 ZINC000038295515 343434080 /nfs/dbraw/zinc/43/40/80/343434080.db2.gz UWTFMSTYDWMDFD-UHFFFAOYSA-O 1 0 288.277 2.146 10 0 CEAERO COc1cc2c(cc1OC)[C@@H](C[NH2+]C(C)C)OCC2 ZINC000039307059 343436000 /nfs/dbraw/zinc/43/60/00/343436000.db2.gz UFHXDOAKNHPDHP-OAHLLOKOSA-N 1 0 265.353 2.316 10 0 CEAERO CCC[C@H](C(=O)Nc1ccc2c(c1)N(C)CCO2)[NH+](C)C ZINC000127020664 136385763 /nfs/dbraw/zinc/38/57/63/136385763.db2.gz FEAWDOVITCCQJJ-CYBMUJFWSA-N 1 0 291.395 2.184 10 0 CEAERO OCCC[C@H]1CCC[N@@H+]1C[C@H]1COc2ccccc2O1 ZINC000052762957 343565384 /nfs/dbraw/zinc/56/53/84/343565384.db2.gz RQPSJRBLJIJTLV-KGLIPLIRSA-N 1 0 277.364 2.063 10 0 CEAERO CC(C)([NH3+])c1cn(Cc2cccc(Cl)c2F)nn1 ZINC000228298848 539331789 /nfs/dbraw/zinc/33/17/89/539331789.db2.gz IWYWRGVPCICQPF-UHFFFAOYSA-N 1 0 268.723 2.313 10 0 CEAERO [NH3+][C@@H](CNC(=O)OCc1ccccc1)Cc1ccccc1 ZINC000059221324 343652277 /nfs/dbraw/zinc/65/22/77/343652277.db2.gz NHWVAWJPZOHIOG-MRXNPFEDSA-N 1 0 284.359 2.483 10 0 CEAERO CCc1nc(CN(C)C(=O)C2CCC([NH3+])CC2)cs1 ZINC000328423195 539348897 /nfs/dbraw/zinc/34/88/97/539348897.db2.gz ZLTYWTZHQJXCKY-UHFFFAOYSA-N 1 0 281.425 2.181 10 0 CEAERO C[C@H](Cc1cccs1)[NH2+]C[C@@H](O)COCc1ccco1 ZINC000071270609 343800964 /nfs/dbraw/zinc/80/09/64/343800964.db2.gz ZJUFKOQYGOQNQG-CHWSQXEVSA-N 1 0 295.404 2.439 10 0 CEAERO C[C@@H]1C[C@H](C[NH3+])CN1c1ncccc1Br ZINC000127037388 187278918 /nfs/dbraw/zinc/27/89/18/187278918.db2.gz SXJFUNRJEBGBJQ-RKDXNWHRSA-N 1 0 270.174 2.018 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2CCC[N@H+](C)C2)o1 ZINC000108542601 344265827 /nfs/dbraw/zinc/26/58/27/344265827.db2.gz YZJWVBHWHQFCMJ-OLZOCXBDSA-N 1 0 279.384 2.290 10 0 CEAERO OCCc1cccc(C[NH2+]Cc2ccccc2O)c1 ZINC000117142793 344288012 /nfs/dbraw/zinc/28/80/12/344288012.db2.gz UADFRXUYLRTDFE-UHFFFAOYSA-N 1 0 257.333 2.217 10 0 CEAERO COc1ccc([C@@H](C)NC(=O)[C@H]([NH3+])C(C)(C)C)cc1 ZINC000123368602 344310412 /nfs/dbraw/zinc/31/04/12/344310412.db2.gz XALMZXSBLQJKBB-MFKMUULPSA-N 1 0 264.369 2.246 10 0 CEAERO C[C@]1(CNc2ncnc3ccccc32)CCC[NH2+]C1 ZINC000129297331 344342789 /nfs/dbraw/zinc/34/27/89/344342789.db2.gz XHVZJSMHBZVYKF-HNNXBMFYSA-N 1 0 256.353 2.431 10 0 CEAERO [NH3+]Cc1cncn1-c1cccc(Br)c1 ZINC000129946107 344348138 /nfs/dbraw/zinc/34/81/38/344348138.db2.gz LOIHTRSSFCMAAA-UHFFFAOYSA-N 1 0 252.115 2.094 10 0 CEAERO CSCC[C@@H]([NH3+])C(=O)N[C@@H](C)c1cc(F)ccc1F ZINC000130852722 344355066 /nfs/dbraw/zinc/35/50/66/344355066.db2.gz OSBBTSOVHDAHGB-QPUJVOFHSA-N 1 0 288.363 2.222 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccnc2ccccc21 ZINC000130975496 344355718 /nfs/dbraw/zinc/35/57/18/344355718.db2.gz LRTXYASIRYGKNV-LBPRGKRZSA-N 1 0 269.348 2.188 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]Cc2ccc(C)cc2C)C1 ZINC000134438695 344374418 /nfs/dbraw/zinc/37/44/18/344374418.db2.gz KZARUQDRATZOQS-INIZCTEOSA-N 1 0 262.397 2.114 10 0 CEAERO Cc1ccc(NC(=O)N[C@H]2C[C@H]2C)c(OCC[NH+](C)C)c1 ZINC000154618810 344435208 /nfs/dbraw/zinc/43/52/08/344435208.db2.gz DYBAEOKVICCBPY-OCCSQVGLSA-N 1 0 291.395 2.465 10 0 CEAERO S=C(SCc1ccccc1)N1CC[NH2+]CC1 ZINC000142772780 344404406 /nfs/dbraw/zinc/40/44/06/344404406.db2.gz YGDFHYSVRQSRAW-UHFFFAOYSA-N 1 0 252.408 2.110 10 0 CEAERO [NH3+]C[C@H](F)Cc1cc(F)cc(Br)c1 ZINC000158058254 344449582 /nfs/dbraw/zinc/44/95/82/344449582.db2.gz AJFLUMCBJXQDDZ-SECBINFHSA-N 1 0 250.086 2.428 10 0 CEAERO C[C@H]1CS[C@]2(CCCN(C(=O)OC(C)(C)C)C2)[NH2+]1 ZINC000159143842 344453961 /nfs/dbraw/zinc/45/39/61/344453961.db2.gz XIQIMXQZEIXMSI-GWCFXTLKSA-N 1 0 272.414 2.439 10 0 CEAERO C[N@H+](CCCSCCO)CCc1ccccc1 ZINC000165595273 344475003 /nfs/dbraw/zinc/47/50/03/344475003.db2.gz QPCWDSIYMGNGPI-UHFFFAOYSA-N 1 0 253.411 2.277 10 0 CEAERO CC(C)(C)Cc1ccc(N2CC[C@@H](O)C2)c(C[NH3+])c1 ZINC000166076794 344475307 /nfs/dbraw/zinc/47/53/07/344475307.db2.gz SJVUFKJPDRRDLO-CQSZACIVSA-N 1 0 262.397 2.305 10 0 CEAERO O=C(C1CCC1)N1CC([N@@H+](Cc2ccncc2)CC2CC2)C1 ZINC000169791502 344483109 /nfs/dbraw/zinc/48/31/09/344483109.db2.gz ANFZHJRNQJODNE-UHFFFAOYSA-N 1 0 299.418 2.305 10 0 CEAERO C[C@@]1(NCc2cc(Br)cs2)CC[NH2+]C1 ZINC000230745059 344573224 /nfs/dbraw/zinc/57/32/24/344573224.db2.gz UYJTZGXUOYWFFD-SNVBAGLBSA-N 1 0 275.215 2.352 10 0 CEAERO C[C@@H]1CCC[C@@H]1C[NH2+]C[C@@H](O)COCc1ccco1 ZINC000230676282 344573241 /nfs/dbraw/zinc/57/32/41/344573241.db2.gz PZEGHMRDMGYXLH-MGPQQGTHSA-N 1 0 267.369 2.183 10 0 CEAERO CC(C)(C)OC(=O)N1CC([C@H]([NH3+])C2CCCC2)C1 ZINC000214776448 344533854 /nfs/dbraw/zinc/53/38/54/344533854.db2.gz NMMLZJDVAKZUKJ-GFCCVEGCSA-N 1 0 254.374 2.371 10 0 CEAERO C[C@@H]([NH3+])[C@H](O)c1c(Cl)cccc1Br ZINC000218531756 344536891 /nfs/dbraw/zinc/53/68/91/344536891.db2.gz LVGDBZMUPJXLPR-ANLVUFKYSA-N 1 0 264.550 2.483 10 0 CEAERO C[C@@H](C[NH3+])Oc1cc(Br)cc(F)c1F ZINC000219826217 344537905 /nfs/dbraw/zinc/53/79/05/344537905.db2.gz GPISTRMTJRNOFT-YFKPBYRVSA-N 1 0 266.085 2.453 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)NCCc1ccc(Cl)s1 ZINC000226422453 344549885 /nfs/dbraw/zinc/54/98/85/344549885.db2.gz PCYKTZNZKLIXOY-SNVBAGLBSA-N 1 0 286.828 2.450 10 0 CEAERO CN(C(=O)c1cc2ccccc2[nH]1)[C@H]1CCC[NH2+]CC1 ZINC000226456489 344550258 /nfs/dbraw/zinc/55/02/58/344550258.db2.gz PRNMLXQSLGPVAG-ZDUSSCGKSA-N 1 0 271.364 2.382 10 0 CEAERO COc1ccc(CN2CCCC[C@@H]2C[NH3+])c(F)c1 ZINC000228605753 344562005 /nfs/dbraw/zinc/56/20/05/344562005.db2.gz VUOIDZGPEJCSPA-GFCCVEGCSA-N 1 0 252.333 2.148 10 0 CEAERO COc1ccc(COC[C@H]2CCC[NH2+]C2)cc1F ZINC000051815349 362437604 /nfs/dbraw/zinc/43/76/04/362437604.db2.gz ZWOJQCONCKHDDJ-LBPRGKRZSA-N 1 0 253.317 2.351 10 0 CEAERO CCOC(=O)C[C@H](O)C[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000233987922 344583037 /nfs/dbraw/zinc/58/30/37/344583037.db2.gz YUWYVWHNLHNHBZ-WFASDCNBSA-N 1 0 279.380 2.214 10 0 CEAERO COC[C@H]([NH3+])c1c(F)ccc(Br)c1F ZINC000234754376 344587244 /nfs/dbraw/zinc/58/72/44/344587244.db2.gz BQZFWJHCDBLNCW-ZETCQYMHSA-N 1 0 266.085 2.374 10 0 CEAERO COc1ccc(Br)c(N[C@@H](C)C[NH3+])c1 ZINC000234827230 344587447 /nfs/dbraw/zinc/58/74/47/344587447.db2.gz UVYTXRFTSMKEAV-ZETCQYMHSA-N 1 0 259.147 2.217 10 0 CEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CCCc2ccccn2)C1 ZINC000246762756 539396378 /nfs/dbraw/zinc/39/63/78/539396378.db2.gz BWNKLGXXAYNVHA-GOEBONIOSA-N 1 0 289.423 2.249 10 0 CEAERO CC(C)(C)n1cc(C[NH2+][C@H]2CCCC[C@H]2O)cn1 ZINC000052000926 362458583 /nfs/dbraw/zinc/45/85/83/362458583.db2.gz PKYURIDWQIREAY-QWHCGFSZSA-N 1 0 251.374 2.031 10 0 CEAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)C(C)(C)C)C1 ZINC000246324477 344615805 /nfs/dbraw/zinc/61/58/05/344615805.db2.gz ATIULNWPEANYFJ-OLZOCXBDSA-N 1 0 269.433 2.404 10 0 CEAERO COC(=O)c1cc(C[N@@H+]2CCC[C@@H]2CCCO)oc1C ZINC000052762403 362474265 /nfs/dbraw/zinc/47/42/65/362474265.db2.gz ZBQBMMYMYACQNV-GFCCVEGCSA-N 1 0 281.352 2.112 10 0 CEAERO CCc1cc2c(ncnc2N2CCC[C@@H]([NH2+]C)C2)s1 ZINC000053204949 362487763 /nfs/dbraw/zinc/48/77/63/362487763.db2.gz OHAQRANCDJEPNL-SNVBAGLBSA-N 1 0 276.409 2.442 10 0 CEAERO [NH3+][C@H](CF)c1cc2c(cc1Br)OCO2 ZINC000238685738 344607602 /nfs/dbraw/zinc/60/76/02/344607602.db2.gz UZJKKAGRSXXVFF-SSDOTTSWSA-N 1 0 262.078 2.147 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@H](C)c2ccc(F)cc2F)C1 ZINC000252966879 344642993 /nfs/dbraw/zinc/64/29/93/344642993.db2.gz SZUKBQHNOQOXKP-YPMHNXCESA-N 1 0 284.350 2.336 10 0 CEAERO C[C@@H]1C[NH+](C/C=C\C[N@@H+]2CCS[C@@H](C)C2)CCS1 ZINC000255779420 344646500 /nfs/dbraw/zinc/64/65/00/344646500.db2.gz VZNPWDBMPYRTAX-LQOBQMSGSA-N 1 0 286.510 2.417 10 0 CEAERO [NH3+][C@@H](c1cn[nH]c1)c1cscc1Br ZINC000307154047 344720671 /nfs/dbraw/zinc/72/06/71/344720671.db2.gz CFUDHCUPNWPHCP-QMMMGPOBSA-N 1 0 258.144 2.282 10 0 CEAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](O)COCc1ccccc1F ZINC000300576829 344700565 /nfs/dbraw/zinc/70/05/65/344700565.db2.gz CZIKJFXEYJBDEY-INWMFGNUSA-N 1 0 281.371 2.481 10 0 CEAERO CCC[C@@H]1C[C@H]1[NH2+]C[C@H](O)COCc1ccccc1 ZINC000300588052 344700569 /nfs/dbraw/zinc/70/05/69/344700569.db2.gz QRGGXWLPTORLMF-OWCLPIDISA-N 1 0 263.381 2.342 10 0 CEAERO C[C@@H]1CCC[C@@H](NC(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000300572646 344700737 /nfs/dbraw/zinc/70/07/37/344700737.db2.gz MFVJZSLDXAAACS-MGPQQGTHSA-N 1 0 252.402 2.461 10 0 CEAERO C[C@@H]([NH3+])c1cc(I)cc2c1OCC2 ZINC000306242515 344712552 /nfs/dbraw/zinc/71/25/52/344712552.db2.gz NACZYOCZJLYNCD-ZCFIWIBFSA-N 1 0 289.116 2.246 10 0 CEAERO C[NH2+]Cc1c(F)ccc(I)c1F ZINC000306279495 344712930 /nfs/dbraw/zinc/71/29/30/344712930.db2.gz SHRZHSFBPDLPAR-UHFFFAOYSA-N 1 0 283.059 2.289 10 0 CEAERO C[C@@H]1C[C@@H](N2C[C@@H](C)[NH2+][C@@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000306571322 344714405 /nfs/dbraw/zinc/71/44/05/344714405.db2.gz FXJGVDUICZTVFH-KYHPRHEASA-N 1 0 287.451 2.332 10 0 CEAERO [NH3+]Cc1cc(Br)ccc1CN1CCC1 ZINC000306702863 344716637 /nfs/dbraw/zinc/71/66/37/344716637.db2.gz HYPAKNOMQGLHFI-UHFFFAOYSA-N 1 0 255.159 2.114 10 0 CEAERO O[C@H](c1csc(Br)c1)[C@H]1CCC[NH2+]1 ZINC000306727030 344716894 /nfs/dbraw/zinc/71/68/94/344716894.db2.gz MHAHXBMSCVASBS-VXNVDRBHSA-N 1 0 262.172 2.296 10 0 CEAERO [NH3+][C@H](Cc1cc(Br)ccc1F)[C@@H]1CCOC1 ZINC000083716603 178723132 /nfs/dbraw/zinc/72/31/32/178723132.db2.gz UIDCOYYZYPOOQN-PRHODGIISA-N 1 0 288.160 2.495 10 0 CEAERO CCOC(=O)CC[C@@H](O)C[NH2+][C@@H](C)c1cccs1 ZINC000385697741 344830712 /nfs/dbraw/zinc/83/07/12/344830712.db2.gz PGQMFUOWLOUVBS-WDEREUQCSA-N 1 0 271.382 2.103 10 0 CEAERO CC[NH2+][C@@H](Cc1nc([C@H](C)OCC)no1)C1CC1 ZINC000083860010 178754489 /nfs/dbraw/zinc/75/44/89/178754489.db2.gz YEKGHUDFHHKMEI-ONGXEEELSA-N 1 0 253.346 2.098 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@@H]2CC3CCC2CC3)C1 ZINC000400185464 344861281 /nfs/dbraw/zinc/86/12/81/344861281.db2.gz WPFSUMMOGXSJQT-MYXTYHMWSA-N 1 0 250.386 2.056 10 0 CEAERO COCC[NH2+]CCC[S@](=O)c1ccc(C)cc1C ZINC000084000285 178769362 /nfs/dbraw/zinc/76/93/62/178769362.db2.gz CMQMQQRYCIVNIJ-GOSISDBHSA-N 1 0 269.410 2.037 10 0 CEAERO CC(C)[NH2+][C@@H](C)[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 ZINC000584621438 344967396 /nfs/dbraw/zinc/96/73/96/344967396.db2.gz OKJIXKXNHUFUHR-VFZGTOFNSA-N 1 0 276.336 2.066 10 0 CEAERO [NH3+][C@@H]1COC[C@@H]1Nc1nc2ccc(Cl)cc2s1 ZINC000584630609 344969182 /nfs/dbraw/zinc/96/91/82/344969182.db2.gz JQTLMNBWQPFQRL-APPZFPTMSA-N 1 0 269.757 2.088 10 0 CEAERO Cc1ccccc1N1CCN(c2cc[nH+]cc2N)CC1 ZINC000584633625 344970429 /nfs/dbraw/zinc/97/04/29/344970429.db2.gz WOMDCRHGNVZRII-UHFFFAOYSA-N 1 0 268.364 2.299 10 0 CEAERO C[N@H+](CCC1(CCCCO)OCCO1)Cc1ccccc1 ZINC000584661188 344974668 /nfs/dbraw/zinc/97/46/68/344974668.db2.gz NCDOEZBIYAJRNK-UHFFFAOYSA-N 1 0 293.407 2.414 10 0 CEAERO C[C@H]1OCC[C@H]1[NH2+]Cc1cc(O)ccc1Br ZINC000127326199 187297070 /nfs/dbraw/zinc/29/70/70/187297070.db2.gz VBBZNXMNXKNTHR-PRHODGIISA-N 1 0 286.169 2.422 10 0 CEAERO CCOC[C@@H]([NH3+])Cc1ccc(F)c(Br)c1 ZINC000084063633 178783298 /nfs/dbraw/zinc/78/32/98/178783298.db2.gz UPSDFMOGUOIKRL-VIFPVBQESA-N 1 0 276.149 2.495 10 0 CEAERO CCNC(=O)NC(=O)[C@H](C)Sc1cccc([C@@H](C)[NH3+])c1 ZINC000084122576 178798008 /nfs/dbraw/zinc/79/80/08/178798008.db2.gz RQHBUKYHBSGZKK-ZJUUUORDSA-N 1 0 295.408 2.033 10 0 CEAERO C[NH2+][C@H](C)c1cccc(SCC(=O)NCCCOC)c1 ZINC000084124578 178798693 /nfs/dbraw/zinc/79/86/93/178798693.db2.gz BLTSLBFLBNJGGK-GFCCVEGCSA-N 1 0 296.436 2.212 10 0 CEAERO C[NH2+][C@H](C)C(=O)N[C@H](C)c1cccc(OC(C)C)c1 ZINC000054073618 362508637 /nfs/dbraw/zinc/50/86/37/362508637.db2.gz KFRNZDAJVSQMLZ-VXGBXAGGSA-N 1 0 264.369 2.259 10 0 CEAERO C[NH2+][C@H](C)C(=O)N[C@@H](C)c1cccc(OC(C)C)c1 ZINC000054073620 362509115 /nfs/dbraw/zinc/50/91/15/362509115.db2.gz KFRNZDAJVSQMLZ-NWDGAFQWSA-N 1 0 264.369 2.259 10 0 CEAERO COCc1cccc(CNC(=O)CC2([NH3+])CCCC2)c1 ZINC000084182867 178817529 /nfs/dbraw/zinc/81/75/29/178817529.db2.gz XJHOQNHSPKVEEQ-UHFFFAOYSA-N 1 0 276.380 2.111 10 0 CEAERO CC(=O)c1cccc(NC(=O)CC2([NH3+])CCCC2)c1 ZINC000084184773 178818713 /nfs/dbraw/zinc/81/87/13/178818713.db2.gz NTYUWSDVSDMYES-UHFFFAOYSA-N 1 0 260.337 2.489 10 0 CEAERO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054292004 362523248 /nfs/dbraw/zinc/52/32/48/362523248.db2.gz IHKDDKIAMMBPTP-HZSPNIEDSA-N 1 0 252.402 2.413 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)N1CC[C@H](c2ccccc2)C1 ZINC000054292729 362523259 /nfs/dbraw/zinc/52/32/59/362523259.db2.gz COKXTWHUEQUJTR-ZBFHGGJFSA-N 1 0 272.392 2.392 10 0 CEAERO C[C@@H](NC(=O)C[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000054292948 362523297 /nfs/dbraw/zinc/52/32/97/362523297.db2.gz JPBLMHKGCVVSCC-OLZOCXBDSA-N 1 0 252.402 2.461 10 0 CEAERO Cc1nc2cc(NC(=O)C[C@H]3CCC[NH2+]C3)ccc2o1 ZINC000054308779 362526635 /nfs/dbraw/zinc/52/66/35/362526635.db2.gz MPWKKDDSSPBURN-LLVKDONJSA-N 1 0 273.336 2.464 10 0 CEAERO [NH3+][C@H](CC1CCOCC1)Cn1cnc2ccccc21 ZINC000097066565 185520268 /nfs/dbraw/zinc/52/02/68/185520268.db2.gz ULQDCDQUXJXTTD-CYBMUJFWSA-N 1 0 259.353 2.180 10 0 CEAERO C[NH2+][C@H](Cc1c(Br)c(C)nn1C)C(C)C ZINC000084273704 178839588 /nfs/dbraw/zinc/83/95/88/178839588.db2.gz LPSQCWAGBICEKQ-SECBINFHSA-N 1 0 274.206 2.278 10 0 CEAERO Cc1ccc(S(=O)(=O)Cc2cccc(C[NH3+])c2)cc1 ZINC000084267874 178835016 /nfs/dbraw/zinc/83/50/16/178835016.db2.gz WCPKBWUUTUQFJQ-UHFFFAOYSA-N 1 0 275.373 2.428 10 0 CEAERO C[NH2+][C@H](CCSC)c1ccc2c(c1)OCCO2 ZINC000097077911 185521723 /nfs/dbraw/zinc/52/17/23/185521723.db2.gz QSXJIKVHZMEBKC-LLVKDONJSA-N 1 0 253.367 2.471 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@H]1S(=O)(=O)c1ccccc1F ZINC000084268612 178835823 /nfs/dbraw/zinc/83/58/23/178835823.db2.gz UTDRPAJYZTUJCN-ZYHUDNBSSA-N 1 0 271.357 2.117 10 0 CEAERO CCc1nn(CC)c(C[C@H](C)[NH3+])c1Br ZINC000084298887 178849342 /nfs/dbraw/zinc/84/93/42/178849342.db2.gz IHJOZDYDDFXOFF-ZETCQYMHSA-N 1 0 260.179 2.118 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC1CCSCC1 ZINC000229408895 539467298 /nfs/dbraw/zinc/46/72/98/539467298.db2.gz CXPULASQRUCDAF-GXTWGEPZSA-N 1 0 254.443 2.298 10 0 CEAERO CCC[NH2+][C@](C)(C[C@@H](C)n1cc(Cl)c(C)n1)C(N)=O ZINC000084365277 178874215 /nfs/dbraw/zinc/87/42/15/178874215.db2.gz KVABQYPKXQYSQN-NOZJJQNGSA-N 1 0 286.807 2.040 10 0 CEAERO C[C@H]1CN(C(=O)c2c(Cl)cccc2Cl)C[C@H]1[NH3+] ZINC000235639647 290755554 /nfs/dbraw/zinc/75/55/54/290755554.db2.gz RASCLEYQUOHYIT-OIBJUYFYSA-N 1 0 273.163 2.413 10 0 CEAERO CC[NH2+][C@H]1CC[C@H](S(=O)(=O)c2cc(F)ccc2F)C1 ZINC000084433669 178887488 /nfs/dbraw/zinc/88/74/88/178887488.db2.gz RICILLMHORIUGN-QWRGUYRKSA-N 1 0 289.347 2.269 10 0 CEAERO C[NH2+][C@@H]1CC[C@H](S(=O)(=O)c2ccc3c(c2)CCC3)C1 ZINC000084433375 178887543 /nfs/dbraw/zinc/88/75/43/178887543.db2.gz GYEOVJOUWIWKSA-HIFRSBDPSA-N 1 0 279.405 2.090 10 0 CEAERO CCC[NH2+][C@@H](c1snnc1C)C1CCOCC1 ZINC000097180889 185556797 /nfs/dbraw/zinc/55/67/97/185556797.db2.gz NBDKSYIPCCCDTF-LLVKDONJSA-N 1 0 255.387 2.314 10 0 CEAERO CCC[NH2+][C@@H](CCc1c(C)nn(C)c1C)c1nccn1C ZINC000097191173 185558916 /nfs/dbraw/zinc/55/89/16/185558916.db2.gz IJKCELOQLOQJPN-HNNXBMFYSA-N 1 0 289.427 2.444 10 0 CEAERO CCc1nn(CC)c(C[C@@](C)(O)C[NH2+]C2CC2)c1Cl ZINC000097210387 185564825 /nfs/dbraw/zinc/56/48/25/185564825.db2.gz BFCIPTISBVLVAK-CQSZACIVSA-N 1 0 285.819 2.164 10 0 CEAERO c1sc(CN2CC[NH2+]CC2)nc1C1CCCC1 ZINC000084589222 178901394 /nfs/dbraw/zinc/90/13/94/178901394.db2.gz HEQNPIBGPQOBFC-UHFFFAOYSA-N 1 0 251.399 2.206 10 0 CEAERO Cc1nn(C)c(C)c1CC[C@@H]([NH3+])Cc1ccn(C(C)C)n1 ZINC000097225582 185568093 /nfs/dbraw/zinc/56/80/93/185568093.db2.gz OSPFNBYPMHWPHJ-CQSZACIVSA-N 1 0 289.427 2.317 10 0 CEAERO [NH3+]CCNc1nc(-c2ccncc2)cc2cnccc21 ZINC000058575197 362633807 /nfs/dbraw/zinc/63/38/07/362633807.db2.gz OBRQLJITIRIMLQ-UHFFFAOYSA-N 1 0 265.320 2.062 10 0 CEAERO C[C@H]([NH2+]CC1CCC(C)CC1)C(=O)N1CCCC1 ZINC000058790355 362638657 /nfs/dbraw/zinc/63/86/57/362638657.db2.gz CREHQELWRSMAOC-MOKVOYLWSA-N 1 0 252.402 2.413 10 0 CEAERO Cc1cc(Sc2ccccc2)nc(N2CC[NH2+]CC2)n1 ZINC000058825904 362640543 /nfs/dbraw/zinc/64/05/43/362640543.db2.gz YVQAIOZSXILVPK-UHFFFAOYSA-N 1 0 286.404 2.346 10 0 CEAERO CCC[NH2+][C@H](Cc1ncnn1C)c1cccc(N(C)C)c1 ZINC000097275141 185575685 /nfs/dbraw/zinc/57/56/85/185575685.db2.gz YYYYOFXHUJVLEY-OAHLLOKOSA-N 1 0 287.411 2.165 10 0 CEAERO CC[NH2+][C@@H](Cc1c(Cl)c(C)nn1C)c1cc(C)nn1C ZINC000097273716 185575721 /nfs/dbraw/zinc/57/57/21/185575721.db2.gz CCSQIBHXGCYSIS-NSHDSACASA-N 1 0 295.818 2.317 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@H](C)c2ccccc2OC)C1 ZINC000149296327 539489453 /nfs/dbraw/zinc/48/94/53/539489453.db2.gz BDJJHWHYZUXXEF-ZIAGYGMSSA-N 1 0 278.396 2.067 10 0 CEAERO CC(C)Cn1ncnc1C[C@@H]([NH3+])CC1CCSCC1 ZINC000097278347 185577999 /nfs/dbraw/zinc/57/79/99/185577999.db2.gz IVNQHLJNMWXENA-ZDUSSCGKSA-N 1 0 282.457 2.337 10 0 CEAERO [NH3+][C@H](Cc1nccs1)c1cccc2nccnc21 ZINC000097313776 185584423 /nfs/dbraw/zinc/58/44/23/185584423.db2.gz BOELEVYKCPUURA-SNVBAGLBSA-N 1 0 256.334 2.329 10 0 CEAERO CCCn1ccnc1C[C@@H](Cc1c(C)nn(C)c1C)[NH2+]C ZINC000097311147 185583564 /nfs/dbraw/zinc/58/35/64/185583564.db2.gz CAKYSDRFHRSBJG-CQSZACIVSA-N 1 0 289.427 2.017 10 0 CEAERO CC[NH2+][C@@H](CCOCC)[C@H]1CCOC2(CCOCC2)C1 ZINC000097311067 185583633 /nfs/dbraw/zinc/58/36/33/185583633.db2.gz NNVCSEOYARNHLT-GJZGRUSLSA-N 1 0 285.428 2.367 10 0 CEAERO C[NH2+][C@@H](c1ccnn1C)[C@@H]1CCOC2(CCSCC2)C1 ZINC000097340694 185586877 /nfs/dbraw/zinc/58/68/77/185586877.db2.gz JIQSTNZXQBHRFP-TZMCWYRMSA-N 1 0 295.452 2.373 10 0 CEAERO CC(C)[NH2+][C@@H](CCO[C@@H]1CC[C@@H](C)[C@@H](C)C1)C(N)=O ZINC000085021877 178942940 /nfs/dbraw/zinc/94/29/40/178942940.db2.gz QSRALTZTGLGOAA-RQJABVFESA-N 1 0 270.417 2.070 10 0 CEAERO CCn1nc(C)c(Br)c1CC1([NH3+])CC1 ZINC000085034505 178943605 /nfs/dbraw/zinc/94/36/05/178943605.db2.gz YWAJLOVPBDFZCF-UHFFFAOYSA-N 1 0 258.163 2.008 10 0 CEAERO C[C@@](O)(CC[NH3+])Cc1ccc(F)c(Br)c1 ZINC000084997038 178941617 /nfs/dbraw/zinc/94/16/17/178941617.db2.gz CXQZAFDFZKJZBT-LLVKDONJSA-N 1 0 276.149 2.231 10 0 CEAERO CCC[C@H]1C[C@](CC(=O)OC)(C(C)(C)[NH3+])CCO1 ZINC000097433853 185603139 /nfs/dbraw/zinc/60/31/39/185603139.db2.gz INDFVQCYLPNSRV-SMDDNHRTSA-N 1 0 257.374 2.252 10 0 CEAERO COC(=O)C[C@@](C)(c1cccc(F)c1)C(C)(C)[NH3+] ZINC000097433622 185603481 /nfs/dbraw/zinc/60/34/81/185603481.db2.gz ZXYUFLPXOJNKBO-AWEZNQCLSA-N 1 0 253.317 2.384 10 0 CEAERO COC(=O)C[C@@]1([C@@H](C)[NH3+])CCCc2cc(OC)ccc21 ZINC000097430777 185601577 /nfs/dbraw/zinc/60/15/77/185601577.db2.gz GQBGNFANVVOJIY-BDJLRTHQSA-N 1 0 277.364 2.180 10 0 CEAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]CCC(=O)N1CCCC1 ZINC000085085984 178947897 /nfs/dbraw/zinc/94/78/97/178947897.db2.gz WVTIVPKVCQJQHU-MJBXVCDLSA-N 1 0 252.402 2.413 10 0 CEAERO C[C@@H](CC[NH3+])CNC(=O)c1cccc(OC(F)F)c1 ZINC000097440750 185604545 /nfs/dbraw/zinc/60/45/45/185604545.db2.gz OMIGLWHIBRVFFC-VIFPVBQESA-N 1 0 272.295 2.003 10 0 CEAERO C[C@@H](CCCC[NH3+])Nc1nnc(C(F)(F)F)s1 ZINC000310485919 201873930 /nfs/dbraw/zinc/87/39/30/201873930.db2.gz DWVCRPKYOLXDIP-LURJTMIESA-N 1 0 268.308 2.486 10 0 CEAERO C[NH2+]C1CCN(Cc2ccn(C3CCCC3)n2)CC1 ZINC000085171811 178961851 /nfs/dbraw/zinc/96/18/51/178961851.db2.gz PCFWJLBVLZMGRO-UHFFFAOYSA-N 1 0 262.401 2.182 10 0 CEAERO CCCC1CCN(C[C@](C)(CO)[NH2+]C(C)C)CC1 ZINC000085210895 178973258 /nfs/dbraw/zinc/97/32/58/178973258.db2.gz LDROFNRKALATRY-OAHLLOKOSA-N 1 0 256.434 2.248 10 0 CEAERO CC[NH+](CC)C(C)(C)[C@@H](Cc1ccc(F)cc1)NN ZINC000097580670 185629433 /nfs/dbraw/zinc/62/94/33/185629433.db2.gz NOPOTRNYLNSCNJ-CQSZACIVSA-N 1 0 267.392 2.321 10 0 CEAERO Cc1csc(C[C@@H](NN)C(C)(C)[NH+]2CCCCC2)n1 ZINC000097581763 185630124 /nfs/dbraw/zinc/63/01/24/185630124.db2.gz MUUWMGBFBXKVFI-GFCCVEGCSA-N 1 0 282.457 2.090 10 0 CEAERO CC[C@](C)([C@@H](Cc1ccoc1)NN)[NH+]1CCCCC1 ZINC000097585245 185631736 /nfs/dbraw/zinc/63/17/36/185631736.db2.gz QSGMRMQAFUDJMF-HUUCEWRRSA-N 1 0 265.401 2.309 10 0 CEAERO CCC(CC)([C@H](Cc1ccncc1)NN)[NH+]1CCCC1 ZINC000097587337 185631894 /nfs/dbraw/zinc/63/18/94/185631894.db2.gz PTTKUJUDNMYVGQ-HNNXBMFYSA-N 1 0 276.428 2.111 10 0 CEAERO C[NH2+][C@@](C)(CO)C[C@@H](C)Oc1cccc(C)c1C ZINC000085283874 179001642 /nfs/dbraw/zinc/00/16/42/179001642.db2.gz YHZJUIWFVXSAIV-IUODEOHRSA-N 1 0 251.370 2.431 10 0 CEAERO CC[NH2+][C@](C)(CO)CCOc1ccc(C)cc1C ZINC000085283483 179001688 /nfs/dbraw/zinc/00/16/88/179001688.db2.gz ZSGGMGHMLNVGDV-HNNXBMFYSA-N 1 0 251.370 2.433 10 0 CEAERO C[C@@H](C(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+])c1ccsc1 ZINC000261803914 295744710 /nfs/dbraw/zinc/74/47/10/295744710.db2.gz MVDKKSHHADIKSH-NQBHXWOUSA-N 1 0 266.410 2.437 10 0 CEAERO Cc1cc(C)c(OCCC[C@@](C)([NH3+])CO)c(C)c1 ZINC000085266628 178996618 /nfs/dbraw/zinc/99/66/18/178996618.db2.gz NZMFFGWIRUMEHX-OAHLLOKOSA-N 1 0 251.370 2.481 10 0 CEAERO CC[NH2+][C@](C)(CO)CO[C@H]1CCCc2ccccc21 ZINC000085269751 178997996 /nfs/dbraw/zinc/99/79/96/178997996.db2.gz UDMVTZXDUMFISP-JKSUJKDBSA-N 1 0 263.381 2.441 10 0 CEAERO CCCN(C(=O)c1ccc(Cl)s1)C1C[NH2+]C1 ZINC000085270795 178998898 /nfs/dbraw/zinc/99/88/98/178998898.db2.gz FKIXBFYSKRUQRS-UHFFFAOYSA-N 1 0 258.774 2.226 10 0 CEAERO Cc1ccc(C)c(OC[C@@H](CO)[NH2+]C(C)C)c1C ZINC000085286268 179003884 /nfs/dbraw/zinc/00/38/84/179003884.db2.gz OZXOCXQNRGNSSY-CQSZACIVSA-N 1 0 251.370 2.350 10 0 CEAERO C[NH2+][C@@](CO)(COc1c(C)ccc(C)c1C)C1CC1 ZINC000085286219 179004133 /nfs/dbraw/zinc/00/41/33/179004133.db2.gz AXNRKKLWPUXTJJ-INIZCTEOSA-N 1 0 263.381 2.351 10 0 CEAERO Cc1ccnc(SCC[C@](C)(CO)[NH2+]C(C)C)n1 ZINC000085287868 179004792 /nfs/dbraw/zinc/00/47/92/179004792.db2.gz PTZSMCGAAKTUOO-CYBMUJFWSA-N 1 0 269.414 2.016 10 0 CEAERO C[C@@H]1CC[C@H](OCC[C@@H](CO)[NH2+]C2CC2)C[C@@H]1C ZINC000085287212 179004847 /nfs/dbraw/zinc/00/48/47/179004847.db2.gz UYZMVGZNRBZFDT-DHMWGJHJSA-N 1 0 255.402 2.331 10 0 CEAERO Cc1ccnc(SCCC[C@@](C)(CO)[NH2+]C(C)C)n1 ZINC000085287783 179004856 /nfs/dbraw/zinc/00/48/56/179004856.db2.gz RVDLZSHKGZVUIO-AWEZNQCLSA-N 1 0 283.441 2.406 10 0 CEAERO CCC[NH2+][C@@H](CO)CSc1nc2cc(C)ccc2[nH]1 ZINC000085288309 179005063 /nfs/dbraw/zinc/00/50/63/179005063.db2.gz DVBWAQPHBFFYKU-NSHDSACASA-N 1 0 279.409 2.324 10 0 CEAERO C[NH2+][C@@](C)(CO)CCSc1cccc(OC)c1 ZINC000085291093 179006368 /nfs/dbraw/zinc/00/63/68/179006368.db2.gz HZQXNJFQVFFYKU-CYBMUJFWSA-N 1 0 255.383 2.148 10 0 CEAERO CCC[NH2+][C@@](C)(CO)C[C@H](C)SCCCOC ZINC000085290048 179006414 /nfs/dbraw/zinc/00/64/14/179006414.db2.gz KUIBQGIEHWRZJT-QWHCGFSZSA-N 1 0 263.447 2.285 10 0 CEAERO C[NH2+][C@](CO)(CSc1nc2ccccc2[nH]1)C1CC1 ZINC000085291753 179007419 /nfs/dbraw/zinc/00/74/19/179007419.db2.gz IWGRHIBGSJYVEX-CQSZACIVSA-N 1 0 277.393 2.016 10 0 CEAERO CC[NH2+][C@](C)(CO)C[C@@H](C)Sc1ccccn1 ZINC000085292086 179007718 /nfs/dbraw/zinc/00/77/18/179007718.db2.gz JNVCPXKTKPOVMP-YPMHNXCESA-N 1 0 254.399 2.313 10 0 CEAERO CC(C)[NH2+][C@@H](CO)CSc1nc2ccccc2o1 ZINC000085292360 179007731 /nfs/dbraw/zinc/00/77/31/179007731.db2.gz QVWIGHZJAXIIAC-JTQLQIEISA-N 1 0 266.366 2.279 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)CCSc1ccccn1 ZINC000085292066 179007960 /nfs/dbraw/zinc/00/79/60/179007960.db2.gz OUBXDHIGPYRSHN-CYBMUJFWSA-N 1 0 254.399 2.313 10 0 CEAERO CC[NH2+][C@](C)(CO)CCCSc1nnc(C)s1 ZINC000085297115 179008493 /nfs/dbraw/zinc/00/84/93/179008493.db2.gz PTCLMEGHKQZYLG-NSHDSACASA-N 1 0 275.443 2.079 10 0 CEAERO C[NH2+][C@](C)(CO)CSc1ccc2c(c1)CCC2 ZINC000085292965 179008495 /nfs/dbraw/zinc/00/84/95/179008495.db2.gz ASKPWPSILAGTJI-CQSZACIVSA-N 1 0 251.395 2.238 10 0 CEAERO C[NH2+][C@@](CO)(CSc1ccc(F)cc1F)C1CC1 ZINC000085298366 179009196 /nfs/dbraw/zinc/00/91/96/179009196.db2.gz KCEDZVKNZSYZNC-ZDUSSCGKSA-N 1 0 273.348 2.417 10 0 CEAERO COc1ccccc1SC[C@H](CO)[NH2+]C(C)C ZINC000085297513 179009220 /nfs/dbraw/zinc/00/92/20/179009220.db2.gz XLRJSBGDQBISRJ-NSHDSACASA-N 1 0 255.383 2.146 10 0 CEAERO [NH3+][C@@](CO)(CSc1nc2ccccc2s1)C1CC1 ZINC000085298726 179009373 /nfs/dbraw/zinc/00/93/73/179009373.db2.gz REDQDBWAOGVKKO-ZDUSSCGKSA-N 1 0 280.418 2.488 10 0 CEAERO CCCOc1ccccc1O[C@H](C)C[C@@](C)(O)C[NH3+] ZINC000085306142 179012421 /nfs/dbraw/zinc/01/24/21/179012421.db2.gz DAGWBSNWHZAQQT-IUODEOHRSA-N 1 0 267.369 2.343 10 0 CEAERO C[C@@](O)(C[NH3+])CCCOc1cccc2cccnc21 ZINC000085306273 179012513 /nfs/dbraw/zinc/01/25/13/179012513.db2.gz JSNGBCSPKJRKAQ-HNNXBMFYSA-N 1 0 260.337 2.104 10 0 CEAERO CC(C)(C)c1ccc(OC[C@@](O)(C[NH3+])C2CC2)cc1 ZINC000085306895 179012605 /nfs/dbraw/zinc/01/26/05/179012605.db2.gz DHLDHFRUPGUJMG-INIZCTEOSA-N 1 0 263.381 2.463 10 0 CEAERO Cc1cc(C)c(C)c(OCCC[C@](C)(O)C[NH3+])c1 ZINC000085307349 179012833 /nfs/dbraw/zinc/01/28/33/179012833.db2.gz QAYBGJZZPXGYDJ-HNNXBMFYSA-N 1 0 251.370 2.481 10 0 CEAERO C[C@@H]([NH3+])CSCc1nc(-c2cccs2)no1 ZINC000085314309 179013846 /nfs/dbraw/zinc/01/38/46/179013846.db2.gz WLBCAKXIMCLKHY-SSDOTTSWSA-N 1 0 255.368 2.379 10 0 CEAERO CCN(CCC[C@@](C)(O)C[NH3+])c1cccc(C)c1 ZINC000085300505 179010301 /nfs/dbraw/zinc/01/03/01/179010301.db2.gz NABKAVICNFMBMK-OAHLLOKOSA-N 1 0 250.386 2.311 10 0 CEAERO COc1cc(OC)c(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])cc1Cl ZINC000085356102 179030251 /nfs/dbraw/zinc/03/02/51/179030251.db2.gz BCFMUXUTARZPJL-SCZZXKLOSA-N 1 0 298.770 2.423 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1cc(F)ccc1F ZINC000085355909 179030380 /nfs/dbraw/zinc/03/03/80/179030380.db2.gz MJNIEQVBLFCXGA-KOLCDFICSA-N 1 0 254.280 2.421 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])c1cc(F)ccc1F ZINC000085360051 179032431 /nfs/dbraw/zinc/03/24/31/179032431.db2.gz FOWQYZZADCCDIC-JQEORGNBSA-N 1 0 268.307 2.269 10 0 CEAERO CC(=O)Nc1ccc(NC(=O)[C@H]2CCCC[C@H]2[NH3+])cc1C ZINC000085359886 179032584 /nfs/dbraw/zinc/03/25/84/179032584.db2.gz UITUOONVLPUWAM-UONOGXRCSA-N 1 0 289.379 2.409 10 0 CEAERO CC(C)C(=O)Nc1ccc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000085360888 179033166 /nfs/dbraw/zinc/03/31/66/179033166.db2.gz JYAJTRIGQZYJFX-ZIAGYGMSSA-N 1 0 289.379 2.347 10 0 CEAERO CCN(CC)c1ccc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])cn1 ZINC000085361993 179033346 /nfs/dbraw/zinc/03/33/46/179033346.db2.gz ZJMCKMPZVBLCLH-KBPBESRZSA-N 1 0 290.411 2.384 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1cc(F)c(F)c(F)c1 ZINC000061119169 362677737 /nfs/dbraw/zinc/67/77/37/362677737.db2.gz MZSHCJGKXYJPLF-QMMMGPOBSA-N 1 0 272.270 2.432 10 0 CEAERO Cc1ccc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])c(C)c1O ZINC000085363547 179034622 /nfs/dbraw/zinc/03/46/22/179034622.db2.gz DYNBTBKYICOLMT-RYUDHWBXSA-N 1 0 262.353 2.465 10 0 CEAERO COC(=O)Nc1ccc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000085364418 179035499 /nfs/dbraw/zinc/03/54/99/179035499.db2.gz MNYGUZMJLVBHFP-STQMWFEESA-N 1 0 291.351 2.321 10 0 CEAERO COC(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000085364421 179035534 /nfs/dbraw/zinc/03/55/34/179035534.db2.gz MNYGUZMJLVBHFP-CHWSQXEVSA-N 1 0 291.351 2.321 10 0 CEAERO C[C@H](C1CC1)N(CC(F)(F)F)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085367881 179037494 /nfs/dbraw/zinc/03/74/94/179037494.db2.gz RDSSYTISSXALNJ-IEBDPFPHSA-N 1 0 278.318 2.303 10 0 CEAERO Cc1cccc(OCCN(C)C(=O)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000085368781 179038517 /nfs/dbraw/zinc/03/85/17/179038517.db2.gz YBFIUXFYTCNSQY-JKSUJKDBSA-N 1 0 290.407 2.350 10 0 CEAERO CN(CCc1ccccc1)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085368716 179038782 /nfs/dbraw/zinc/03/87/82/179038782.db2.gz UHVJYMNMZFYOPH-HUUCEWRRSA-N 1 0 260.381 2.205 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)NCCSc1ccccc1 ZINC000085369584 179039178 /nfs/dbraw/zinc/03/91/78/179039178.db2.gz YUFBRGMBCHQSQC-OLZOCXBDSA-N 1 0 264.394 2.022 10 0 CEAERO C[C@@H]1c2ccsc2CCN1C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085369746 179039851 /nfs/dbraw/zinc/03/98/51/179039851.db2.gz NDDNRCWNKBFLFF-JLLWLGSASA-N 1 0 264.394 2.321 10 0 CEAERO COc1ccc(C)cc1CN(C)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085371897 179041739 /nfs/dbraw/zinc/04/17/39/179041739.db2.gz MGGNSKXPJXVEAX-HUUCEWRRSA-N 1 0 290.407 2.480 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)NCc1ccc(F)c(F)c1 ZINC000085372773 179042357 /nfs/dbraw/zinc/04/23/57/179042357.db2.gz WVICJEVQRKADTB-MFKMUULPSA-N 1 0 268.307 2.099 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)N1CCCc2ccccc2C1 ZINC000085375018 179043291 /nfs/dbraw/zinc/04/32/91/179043291.db2.gz LYFGIOXTPWJQMT-HZPDHXFCSA-N 1 0 272.392 2.479 10 0 CEAERO COCC[NH2+]C[C@H]1CCCN1Cc1cc(F)ccc1C ZINC000097849789 185673426 /nfs/dbraw/zinc/67/34/26/185673426.db2.gz FSJSTHDFWGRVIT-MRXNPFEDSA-N 1 0 280.387 2.335 10 0 CEAERO C[C@H]1CCC[C@](C[NH3+])(Nc2ncncc2Cl)C1 ZINC000097848797 185673726 /nfs/dbraw/zinc/67/37/26/185673726.db2.gz FNTSAXVIRKGOHP-CABZTGNLSA-N 1 0 254.765 2.450 10 0 CEAERO OCCn1cc(C[NH2+]C2CCCCCCC2)cn1 ZINC000085433008 179060245 /nfs/dbraw/zinc/06/02/45/179060245.db2.gz AIIRSRJBWCJWOC-UHFFFAOYSA-N 1 0 251.374 2.078 10 0 CEAERO C[C@H]([NH2+]CC(=O)N(C)C)c1cnc2ccsc2c1 ZINC000085433342 179060521 /nfs/dbraw/zinc/06/05/21/179060521.db2.gz OEWSJORMTVRYOV-VIFPVBQESA-N 1 0 263.366 2.035 10 0 CEAERO COc1ccc(C)cc1CN1CC[NH2+][C@H](C2CC2)C1 ZINC000085434819 179060982 /nfs/dbraw/zinc/06/09/82/179060982.db2.gz PACHOOPHUKHNIP-HNNXBMFYSA-N 1 0 260.381 2.187 10 0 CEAERO CC(C)C[C@H]1CN(CCOc2ccccc2)CC[NH2+]1 ZINC000085435030 179061397 /nfs/dbraw/zinc/06/13/97/179061397.db2.gz RYJSFDLTALBOCT-HNNXBMFYSA-N 1 0 262.397 2.385 10 0 CEAERO CC(C)OCCN1CC[NH2+][C@H](C2CCCCC2)C1 ZINC000085435520 179061897 /nfs/dbraw/zinc/06/18/97/179061897.db2.gz MANREIUQWOFRTP-HNNXBMFYSA-N 1 0 254.418 2.266 10 0 CEAERO CC(C)[C@H]1CN(Cc2ccncc2)[C@H](C2CC2)C[NH2+]1 ZINC000085467188 179072357 /nfs/dbraw/zinc/07/23/57/179072357.db2.gz WRHCBGXSKQZZHX-CVEARBPZSA-N 1 0 259.397 2.290 10 0 CEAERO CC(C)C[C@@H]1C[NH2+][C@@H](C(C)C)CN1[C@@H]1CCOC1 ZINC000085466936 179072580 /nfs/dbraw/zinc/07/25/80/179072580.db2.gz QQZBKAJSBBVGAP-RBSFLKMASA-N 1 0 254.418 2.120 10 0 CEAERO CCC1(CC)C[NH2+][C@@H](C(C)C)CN1[C@@H]1CCOC1 ZINC000085468206 179073463 /nfs/dbraw/zinc/07/34/63/179073463.db2.gz QCWPLWVBUIIFPU-ZIAGYGMSSA-N 1 0 254.418 2.264 10 0 CEAERO CC[C@@]1(C)CN[C@H](C(C)C)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085468032 179073531 /nfs/dbraw/zinc/07/35/31/179073531.db2.gz JANKOLICSATKHH-KKUMJFAQSA-N 1 0 254.418 2.121 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@H]1Oc1ncncc1Br ZINC000085468064 179073568 /nfs/dbraw/zinc/07/35/68/179073568.db2.gz JDWUWLCCUVRNQJ-PSASIEDQSA-N 1 0 286.173 2.135 10 0 CEAERO CC[C@H]1C[NH2+]C(C)(C)CN1Cc1cccc(OC)n1 ZINC000085469269 179074643 /nfs/dbraw/zinc/07/46/43/179074643.db2.gz UMHRCFIIMWPRNH-ZDUSSCGKSA-N 1 0 263.385 2.053 10 0 CEAERO FC(F)(F)CCN1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC000085450144 179065146 /nfs/dbraw/zinc/06/51/46/179065146.db2.gz BCBGVGZZGMGZNV-CYBMUJFWSA-N 1 0 272.314 2.455 10 0 CEAERO c1cc(CN2CC[NH2+]C[C@@H]2C2CC2)cc2c1CCC2 ZINC000085451444 179066037 /nfs/dbraw/zinc/06/60/37/179066037.db2.gz QMIHWUIYIXQVOP-QGZVFWFLSA-N 1 0 256.393 2.359 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@@H](C)CN1Cc1cccc(OC)n1 ZINC000085454173 179066848 /nfs/dbraw/zinc/06/68/48/179066848.db2.gz AZPONGXKHYEKKB-WFASDCNBSA-N 1 0 263.385 2.053 10 0 CEAERO CCC[C@@H]1CN(Cc2cnn(C)c2)[C@H](C(C)C)C[NH2+]1 ZINC000085455258 179067724 /nfs/dbraw/zinc/06/77/24/179067724.db2.gz GHHDWROEJKAYDP-CABCVRRESA-N 1 0 264.417 2.019 10 0 CEAERO C[C@@H]1CN(C[C@@H]2CCCCO2)C2(CCCC2)C[NH2+]1 ZINC000085454414 179067873 /nfs/dbraw/zinc/06/78/73/179067873.db2.gz VSIZWKBLGGUVNE-KGLIPLIRSA-N 1 0 252.402 2.162 10 0 CEAERO CCC[C@H]1C[NH2+][C@H](CC)CN1Cc1cnn(CC)c1 ZINC000085472735 179076925 /nfs/dbraw/zinc/07/69/25/179076925.db2.gz UJLZMYXPKHDBDF-CABCVRRESA-N 1 0 264.417 2.256 10 0 CEAERO CC[C@@H]1C[N@H+](CCCOCC(F)(F)F)[C@@H](CC)CN1 ZINC000085472361 179077369 /nfs/dbraw/zinc/07/73/69/179077369.db2.gz JEERLTSWINQACY-NEPJUHHUSA-N 1 0 282.350 2.418 10 0 CEAERO CC[C@H](C)[C@@H]1CN(C[C@@H]2CCCO2)C(C)(C)C[NH2+]1 ZINC000085492910 179082183 /nfs/dbraw/zinc/08/21/83/179082183.db2.gz SNZXDGXHDHYFLU-IHRRRGAJSA-N 1 0 254.418 2.264 10 0 CEAERO CC(C)C[C@H]1C[N@H+](C[C@@H]2CCOC2)C(C)(C)CN1 ZINC000085488526 179081098 /nfs/dbraw/zinc/08/10/98/179081098.db2.gz MCDYCIFNDHGBJL-KBPBESRZSA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@H](C)[C@@H]1C[N@H+](C[C@@H]2CCOC2)[C@H](C(C)C)CN1 ZINC000085491594 179081559 /nfs/dbraw/zinc/08/15/59/179081559.db2.gz SLDPTHFLNKSIHQ-VGWMRTNUSA-N 1 0 268.445 2.367 10 0 CEAERO CC(C)C[C@@H]1C[NH2+]C(C)(C)CN1Cc1cnn(C)c1 ZINC000085470517 179075478 /nfs/dbraw/zinc/07/54/78/179075478.db2.gz SUTJGSOOVDMMKO-CQSZACIVSA-N 1 0 264.417 2.019 10 0 CEAERO CCC1(CC)CNC(C)(C)C[N@@H+]1C[C@H]1CCOC1 ZINC000085471392 179076027 /nfs/dbraw/zinc/07/60/27/179076027.db2.gz OLTSHBYUJRLJSZ-CYBMUJFWSA-N 1 0 254.418 2.266 10 0 CEAERO CC1(C)C[N@H+](CC2CCOCC2)[C@@](C)(C2CC2)CN1 ZINC000085471635 179076593 /nfs/dbraw/zinc/07/65/93/179076593.db2.gz IRBUMTJITLYXEW-MRXNPFEDSA-N 1 0 266.429 2.266 10 0 CEAERO CCn1cc(CN2CC(C)(C)[NH2+]C[C@]2(C)CC)cn1 ZINC000085471249 179076642 /nfs/dbraw/zinc/07/66/42/179076642.db2.gz VEXRKLNKXZRAAV-HNNXBMFYSA-N 1 0 264.417 2.256 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@@H](C2CC2)CN1CC(F)(F)F ZINC000085524580 179088748 /nfs/dbraw/zinc/08/87/48/179088748.db2.gz NBIAVMXCYQKICU-MNOVXSKESA-N 1 0 250.308 2.257 10 0 CEAERO CC[C@H]1CN[C@H](c2ccccc2)C[N@@H+]1CCn1cccn1 ZINC000085505273 179084968 /nfs/dbraw/zinc/08/49/68/179084968.db2.gz YOZYBOOTOXFNKO-IRXDYDNUSA-N 1 0 284.407 2.308 10 0 CEAERO CC1(C)C[NH2+][C@](C)(C2CC2)CN1Cc1ccncc1 ZINC000085514757 179086436 /nfs/dbraw/zinc/08/64/36/179086436.db2.gz PFFSSBGOICNCGI-INIZCTEOSA-N 1 0 259.397 2.434 10 0 CEAERO CC1(C)C[NH2+][C@@](C)(C2CC2)CN1CC(F)(F)F ZINC000085514679 179086799 /nfs/dbraw/zinc/08/67/99/179086799.db2.gz SWBSVKITZWPWPJ-LLVKDONJSA-N 1 0 250.308 2.401 10 0 CEAERO CCOCCN1CC(CC)(CC)[NH2+]C[C@H]1C1CC1 ZINC000085518973 179087309 /nfs/dbraw/zinc/08/73/09/179087309.db2.gz XZWZVUAZMGWRBP-AWEZNQCLSA-N 1 0 254.418 2.266 10 0 CEAERO COc1ccc(CN2C[C@@H](C3CC3)[NH2+]C[C@@H]2C)cc1OC ZINC000085521095 179087482 /nfs/dbraw/zinc/08/74/82/179087482.db2.gz GQMUDMHXHWMEMQ-WFASDCNBSA-N 1 0 290.407 2.276 10 0 CEAERO CCC1(CC)CN(CCn2cccn2)C(C)(C)C[NH2+]1 ZINC000085519994 179087742 /nfs/dbraw/zinc/08/77/42/179087742.db2.gz RSWZTEHLDBHAAX-UHFFFAOYSA-N 1 0 264.417 2.126 10 0 CEAERO CCC1(CC)CN(CCOCCOC)[C@@H](C(C)C)C[NH2+]1 ZINC000085518143 179087910 /nfs/dbraw/zinc/08/79/10/179087910.db2.gz WKTSDOCJOUNRKN-OAHLLOKOSA-N 1 0 286.460 2.138 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@](C)(CC)CN1CCn1cccn1 ZINC000085495006 179082617 /nfs/dbraw/zinc/08/26/17/179082617.db2.gz ASYYQLCJSSGNOK-CABCVRRESA-N 1 0 264.417 2.126 10 0 CEAERO CC[C@@]1(C)CN(Cc2ncccn2)[C@@](C)(CC)C[NH2+]1 ZINC000085496684 179082929 /nfs/dbraw/zinc/08/29/29/179082929.db2.gz PUSCJJPOAXQQLZ-GJZGRUSLSA-N 1 0 262.401 2.219 10 0 CEAERO CC[C@H]1CNC2(CCCCC2)C[N@@H+]1CCCOC ZINC000085498918 179083232 /nfs/dbraw/zinc/08/32/32/179083232.db2.gz ZQJUYADBDOUSPX-AWEZNQCLSA-N 1 0 254.418 2.410 10 0 CEAERO C[C@H]1CNC2(CCCCC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085498899 179083528 /nfs/dbraw/zinc/08/35/28/179083528.db2.gz HFMNYDHMAZGXIU-KBPBESRZSA-N 1 0 252.402 2.020 10 0 CEAERO CCC1(C)CCN(C(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000062957960 362736190 /nfs/dbraw/zinc/73/61/90/362736190.db2.gz BQPBDDYHXPVSTB-ZDUSSCGKSA-N 1 0 252.402 2.415 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C2CC2)CN1Cc1cccc(OC)n1 ZINC000085522579 179088871 /nfs/dbraw/zinc/08/88/71/179088871.db2.gz JMJGDGCPKDGHRP-GJZGRUSLSA-N 1 0 275.396 2.053 10 0 CEAERO CC(C)[C@@H]1CN[C@@H](C2CC2)C[N@@H+]1C[C@@H]1CCCCO1 ZINC000085524413 179088935 /nfs/dbraw/zinc/08/89/35/179088935.db2.gz NIVLTTGRVACFNW-XHSDSOJGSA-N 1 0 266.429 2.264 10 0 CEAERO CCC1(CC)C[NH2+][C@H](C2CC2)CN1CCn1cccn1 ZINC000085528910 179090295 /nfs/dbraw/zinc/09/02/95/179090295.db2.gz MYFMHCHITFSVAM-HNNXBMFYSA-N 1 0 276.428 2.126 10 0 CEAERO CC(C)OCCN1C[C@@H](C2CC2)[NH2+]CC12CCCC2 ZINC000085528994 179090431 /nfs/dbraw/zinc/09/04/31/179090431.db2.gz RMWLSKLSYULFSR-HNNXBMFYSA-N 1 0 266.429 2.408 10 0 CEAERO CCC1(CC)CN[C@@H](C2CC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085528931 179090943 /nfs/dbraw/zinc/09/09/43/179090943.db2.gz BUXJQDSLTPHTGH-DZGCQCFKSA-N 1 0 266.429 2.266 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C2CCCCC2)CN1CCOCCOC ZINC000085529928 179091325 /nfs/dbraw/zinc/09/13/25/179091325.db2.gz NSLAFDKIFZTKIZ-DLBZAZTESA-N 1 0 298.471 2.282 10 0 CEAERO C[C@@]1(C2CC2)CN[C@@H](C2CC2)C[N@@H+]1CC1CCOCC1 ZINC000085529481 179091523 /nfs/dbraw/zinc/09/15/23/179091523.db2.gz DOSIRRUOISBHTG-SJORKVTESA-N 1 0 278.440 2.266 10 0 CEAERO Cc1ccc(F)c(OCC[NH2+]C2CCOCC2)c1 ZINC000085564237 179094652 /nfs/dbraw/zinc/09/46/52/179094652.db2.gz XANMWSPVHZKAMP-UHFFFAOYSA-N 1 0 253.317 2.282 10 0 CEAERO CC(C)Cc1nc2c(n1[C@H](C)[C@H]1CCCO1)CC[NH2+]C2 ZINC000085570099 179096498 /nfs/dbraw/zinc/09/64/98/179096498.db2.gz HHXKRSAOCAZNJT-IUODEOHRSA-N 1 0 277.412 2.467 10 0 CEAERO CCCc1nc2c(n1C[C@@H]1CCCCO1)CC[NH2+]C2 ZINC000085572441 179097274 /nfs/dbraw/zinc/09/72/74/179097274.db2.gz ZZGQGMIBVDJGTO-LBPRGKRZSA-N 1 0 263.385 2.050 10 0 CEAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@@H](CO)c1ccccc1 ZINC000063002810 362742035 /nfs/dbraw/zinc/74/20/35/362742035.db2.gz LYGRPANULJKMIJ-JSGCOSHPSA-N 1 0 278.396 2.003 10 0 CEAERO CCCc1nc2c(n1CC[C@@H]1CCCO1)CC[NH2+]C2 ZINC000085573402 179098652 /nfs/dbraw/zinc/09/86/52/179098652.db2.gz VHKSBYLZMHBZKW-LBPRGKRZSA-N 1 0 263.385 2.050 10 0 CEAERO CCC[C@@H]1CN(CCOCC(F)(F)F)CCC[NH2+]1 ZINC000085611943 179103200 /nfs/dbraw/zinc/10/32/00/179103200.db2.gz LHFPLQAJOLBNOH-LLVKDONJSA-N 1 0 268.323 2.029 10 0 CEAERO CCC1(CC)CN(CCOCC(F)(F)F)CCC[NH2+]1 ZINC000085617384 179104783 /nfs/dbraw/zinc/10/47/83/179104783.db2.gz DJFXAZXZCSPVNZ-UHFFFAOYSA-N 1 0 282.350 2.419 10 0 CEAERO Fc1cccnc1NCCC[NH2+]Cc1cccnc1 ZINC000063197206 362759577 /nfs/dbraw/zinc/75/95/77/362759577.db2.gz NYXCJGOABBEJLV-UHFFFAOYSA-N 1 0 260.316 2.208 10 0 CEAERO CC[C@H](C)n1ccc(CN2CC[NH2+]CC[C@@H]2C)n1 ZINC000085622307 179105916 /nfs/dbraw/zinc/10/59/16/179105916.db2.gz HMBQNOLLHDAXGK-STQMWFEESA-N 1 0 250.390 2.038 10 0 CEAERO CCOC(=O)CCC[NH2+][C@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085677162 179112443 /nfs/dbraw/zinc/11/24/43/179112443.db2.gz VRXXRGQTWSMXAZ-UBHSHLNASA-N 1 0 269.385 2.123 10 0 CEAERO CC1(C)[C@H]([NH2+]CCCOCC2CC2)[C@H]2CCO[C@@H]21 ZINC000085630919 179107639 /nfs/dbraw/zinc/10/76/39/179107639.db2.gz IWOYAHVAFVACHN-MCIONIFRSA-N 1 0 253.386 2.206 10 0 CEAERO Nc1cccnc1N1CC[NH+](CCc2cccs2)CC1 ZINC000111452321 136562109 /nfs/dbraw/zinc/56/21/09/136562109.db2.gz FAZBDFRZLNQWCY-UHFFFAOYSA-N 1 0 288.420 2.090 10 0 CEAERO [NH3+]CCc1ccccc1N1CCO[C@H]2CCCC[C@@H]21 ZINC000111485784 136562811 /nfs/dbraw/zinc/56/28/11/136562811.db2.gz DNYVWISJUVVJGR-HOTGVXAUSA-N 1 0 260.381 2.336 10 0 CEAERO CC[NH2+][C@H](C)[C@@H]1CCCN(c2nccn(C(C)C)c2=O)C1 ZINC000111716401 136563586 /nfs/dbraw/zinc/56/35/86/136563586.db2.gz VFFHYLSJXUVBEZ-ZIAGYGMSSA-N 1 0 292.427 2.039 10 0 CEAERO CC[C@@](C)([C@H](Cc1ccccc1)[NH2+]C)N1CCOCC1 ZINC000085750142 179142659 /nfs/dbraw/zinc/14/26/59/179142659.db2.gz IIEHEEIFTNBTIA-IRXDYDNUSA-N 1 0 276.424 2.318 10 0 CEAERO CS[C@@H](C)CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000129366532 365851537 /nfs/dbraw/zinc/85/15/37/365851537.db2.gz JWDWNQFVRXXQQX-JSGCOSHPSA-N 1 0 280.437 2.027 10 0 CEAERO CCOC(=O)c1ncc(C[N@@H+]2CCC[C@H]2CCCO)s1 ZINC000602772199 347191921 /nfs/dbraw/zinc/19/19/21/347191921.db2.gz PXNQWIUKMWHLRT-NSHDSACASA-N 1 0 298.408 2.057 10 0 CEAERO [NH3+][C@@]1(C(=O)Nc2cc(Cl)cc(Cl)c2)CCOC1 ZINC000085867700 179192109 /nfs/dbraw/zinc/19/21/09/179192109.db2.gz ZZXYSNDZNVWTOR-NSHDSACASA-N 1 0 275.135 2.050 10 0 CEAERO CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@@]1([NH3+])CCOC1 ZINC000085876816 179194701 /nfs/dbraw/zinc/19/47/01/179194701.db2.gz BVLYZNPLTGMLOH-OAHLLOKOSA-N 1 0 296.798 2.195 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1CNC(=O)c1ccc(F)cc1F ZINC000085967642 179206131 /nfs/dbraw/zinc/20/61/31/179206131.db2.gz CNTCZISYGQQQCJ-RNCFNFMXSA-N 1 0 268.307 2.212 10 0 CEAERO CS(=O)(=O)c1ccc(NC[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000085973967 179207705 /nfs/dbraw/zinc/20/77/05/179207705.db2.gz IKOHRLVVNMQLDN-BXUZGUMPSA-N 1 0 282.409 2.020 10 0 CEAERO CC[C@H](C)NC(=O)CC[NH2+]C/C(Cl)=C/Cl ZINC000085977940 179208483 /nfs/dbraw/zinc/20/84/83/179208483.db2.gz ROFQCSFCQHBWPU-HWPCKVLBSA-N 1 0 253.173 2.200 10 0 CEAERO CC[NH2+][C@@H](CCO)COc1ccccc1C(F)(F)F ZINC000085923899 179201720 /nfs/dbraw/zinc/20/17/20/179201720.db2.gz GMFDNYQUBWOECZ-JTQLQIEISA-N 1 0 277.286 2.445 10 0 CEAERO C[NH2+][C@@H](CCO)CSc1ccc(C(F)(F)F)cn1 ZINC000085928626 179202915 /nfs/dbraw/zinc/20/29/15/179202915.db2.gz PXGGWVCQJOOZKN-VIFPVBQESA-N 1 0 280.315 2.163 10 0 CEAERO CCC[C@H](CC[NH3+])CCC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000085987211 179212208 /nfs/dbraw/zinc/21/22/08/179212208.db2.gz WVMRAKPJJHFSBZ-KKUMJFAQSA-N 1 0 284.444 2.199 10 0 CEAERO CCC[C@@H](CC[NH3+])CCC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000085987214 179212538 /nfs/dbraw/zinc/21/25/38/179212538.db2.gz WVMRAKPJJHFSBZ-ILXRZTDVSA-N 1 0 284.444 2.199 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CC[C@@H]1Sc1nnnn1C1CCCC1 ZINC000086044670 179222934 /nfs/dbraw/zinc/22/29/34/179222934.db2.gz LHLRPAIOBJGUPJ-MIMYLULJSA-N 1 0 267.402 2.006 10 0 CEAERO CCC[NH2+][C@@H]1CC[C@H](Sc2n[nH]c(=O)n2CCC)[C@@H]1C ZINC000086045552 179223247 /nfs/dbraw/zinc/22/32/47/179223247.db2.gz NFDCAPBQELIXMO-UTUOFQBUSA-N 1 0 298.456 2.240 10 0 CEAERO CCC[NH2+][C@@H]1CC[C@H](CCCS(C)(=O)=O)[C@@H]1C ZINC000086065277 179223864 /nfs/dbraw/zinc/22/38/64/179223864.db2.gz LXQCIUNQKYWMEX-RWMBFGLXSA-N 1 0 261.431 2.226 10 0 CEAERO C[C@H]1[C@H]([NH2+]Cc2cc(=O)n3ccccc3n2)CC[C@@H]1C ZINC000086076829 179225638 /nfs/dbraw/zinc/22/56/38/179225638.db2.gz YWMHMYWYYHTXJT-OUCADQQQSA-N 1 0 271.364 2.219 10 0 CEAERO C[C@H]1[C@H]([NH2+]CC(=O)NCc2ccccc2)CC[C@@H]1C ZINC000086076228 179225950 /nfs/dbraw/zinc/22/59/50/179225950.db2.gz LOTWTCQJUWZXOR-GZBFAFLISA-N 1 0 260.381 2.327 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000086026348 179219938 /nfs/dbraw/zinc/21/99/38/179219938.db2.gz XLSSTKOUVBFNGI-CVEARBPZSA-N 1 0 295.448 2.340 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CC[C@@H]1S(=O)(=O)c1ccccc1Cl ZINC000086040379 179221997 /nfs/dbraw/zinc/22/19/97/179221997.db2.gz KSZDKFNWVPNSMS-MIMYLULJSA-N 1 0 273.785 2.240 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CC[C@@H]1S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000086041445 179222056 /nfs/dbraw/zinc/22/20/56/179222056.db2.gz PUENWPHRGHUBNJ-MKCWBWRRSA-N 1 0 291.775 2.379 10 0 CEAERO CC[NH2+][C@H]1CC[C@@H](S(=O)(=O)c2ccccc2F)[C@@H]1C ZINC000086040728 179222114 /nfs/dbraw/zinc/22/21/14/179222114.db2.gz JSBROCIKCCNHHF-KGYLQXTDSA-N 1 0 285.384 2.376 10 0 CEAERO CC[C@@](CN)(C1CC1)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000086120466 179234718 /nfs/dbraw/zinc/23/47/18/179234718.db2.gz CIDJQBRSFRISHK-SWLSCSKDSA-N 1 0 254.418 2.251 10 0 CEAERO CC[C@](C[NH3+])(C1CC1)N1CCOc2ccccc2C1 ZINC000086120771 179234866 /nfs/dbraw/zinc/23/48/66/179234866.db2.gz FWAPZEUIDVFSJC-INIZCTEOSA-N 1 0 260.381 2.399 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(Cc2nc(C)cs2)CC[NH2+]1 ZINC000086144291 179237442 /nfs/dbraw/zinc/23/74/42/179237442.db2.gz BSSMUWQJXFDVMK-PWSUYJOCSA-N 1 0 253.415 2.271 10 0 CEAERO CCC[C@H]1CN(CCOc2cccc(C)c2)CC[NH2+]1 ZINC000086145324 179237449 /nfs/dbraw/zinc/23/74/49/179237449.db2.gz SVODXMKRGOIONG-HNNXBMFYSA-N 1 0 262.397 2.448 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(Cc2cnc(C)s2)CC[NH2+]1 ZINC000086144126 179237561 /nfs/dbraw/zinc/23/75/61/179237561.db2.gz OVQJLXHPRMJZEF-MFKMUULPSA-N 1 0 253.415 2.271 10 0 CEAERO Cc1csc(CN2CC[NH2+][C@@H](Cc3ccccc3)C2)n1 ZINC000086144333 179237673 /nfs/dbraw/zinc/23/76/73/179237673.db2.gz OBOHWLWMOPNZRX-HNNXBMFYSA-N 1 0 287.432 2.468 10 0 CEAERO C[C@@H]1CC[C@@H](NC(=O)c2c[nH+]c(NN)c(Cl)c2)[C@@H]1C ZINC000086082070 179227969 /nfs/dbraw/zinc/22/79/69/179227969.db2.gz CJOHPGHSPWGAKR-SOCHQFKDSA-N 1 0 282.775 2.185 10 0 CEAERO C[C@H]1[C@H](n2nnnc2C[NH2+]C(C)(C)C)CC[C@@H]1C ZINC000086082227 179228195 /nfs/dbraw/zinc/22/81/95/179228195.db2.gz AUUBHHHEBKAZGU-HBNTYKKESA-N 1 0 251.378 2.168 10 0 CEAERO CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CC(=O)N(C3CCCC3)C2=O)[C@@H]1C ZINC000086093831 179229030 /nfs/dbraw/zinc/22/90/30/179229030.db2.gz UZYJMOLYWPPMGE-QHSBEEBCSA-N 1 0 292.423 2.471 10 0 CEAERO CC[C@@H]1CC[C@@H]([NH2+]CC(=O)N(CC)C2CC2)[C@@H]1C ZINC000086096287 179229572 /nfs/dbraw/zinc/22/95/72/179229572.db2.gz YEZBIWMLYHGRMP-YRGRVCCFSA-N 1 0 252.402 2.412 10 0 CEAERO COC[C@H](C)[N@@H+]1C[C@@](C)(c2ccccc2)NC[C@@H]1C ZINC000086179990 179246781 /nfs/dbraw/zinc/24/67/81/179246781.db2.gz CDOOXVNKTAXANR-DZKIICNBSA-N 1 0 262.397 2.230 10 0 CEAERO CC[C@@H]1CNC(CC)(CC)C[N@@H+]1C1CCOCC1 ZINC000086218772 179250366 /nfs/dbraw/zinc/25/03/66/179250366.db2.gz JJWHEJTZZQRFNR-CYBMUJFWSA-N 1 0 254.418 2.408 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@@H](C2CC2)CN1CCc1ccncc1 ZINC000086223316 179252396 /nfs/dbraw/zinc/25/23/96/179252396.db2.gz AUEAKYFMFOFNTP-SJORKVTESA-N 1 0 273.424 2.333 10 0 CEAERO CC[C@H]1C[NH2+][C@](C)(CC)CN1CCc1ccncc1 ZINC000086223335 179252525 /nfs/dbraw/zinc/25/25/25/179252525.db2.gz HZCRIKLODGWIHW-JKSUJKDBSA-N 1 0 261.413 2.477 10 0 CEAERO CC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1nccs1 ZINC000086226810 179253127 /nfs/dbraw/zinc/25/31/27/179253127.db2.gz DUZBFNJMKUJLOT-OCCSQVGLSA-N 1 0 265.426 2.496 10 0 CEAERO COCCCC[N@@H+]1CC2(CCCCC2)NC[C@H]1C ZINC000086259429 179258717 /nfs/dbraw/zinc/25/87/17/179258717.db2.gz NJORKKXXFFIJSP-CQSZACIVSA-N 1 0 254.418 2.410 10 0 CEAERO CC[C@@H]1CNC2(CCCC2)C[N@@H+]1C[C@@H]1CCCOC1 ZINC000086260135 179259039 /nfs/dbraw/zinc/25/90/39/179259039.db2.gz YNFMMIBQVMFDFO-LSDHHAIUSA-N 1 0 266.429 2.410 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC(C)C)CN1Cc1ccnc(C)n1 ZINC000086260249 179259602 /nfs/dbraw/zinc/25/96/02/179259602.db2.gz PWOPKJSJMONJFS-JKSUJKDBSA-N 1 0 276.428 2.384 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)CO[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000261683157 290819763 /nfs/dbraw/zinc/81/97/63/290819763.db2.gz HVEUHARJCDVANN-KBUPBQIOSA-N 1 0 284.444 2.188 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C2CC2)CN1C[C@@H]1Cc2ccccc2O1 ZINC000086261679 179260350 /nfs/dbraw/zinc/26/03/50/179260350.db2.gz HTWZPJIEOHWNBF-IKGGRYGDSA-N 1 0 286.419 2.453 10 0 CEAERO CC(C)[C@H]1C[NH2+][C@H](C2CC2)CN1CCc1nccs1 ZINC000086264302 179260856 /nfs/dbraw/zinc/26/08/56/179260856.db2.gz NWMXLBLLUNGILL-UONOGXRCSA-N 1 0 279.453 2.394 10 0 CEAERO C[C@H]1C[NH2+][C@](C)(c2ccccc2)CN1Cc1nccn1C ZINC000086264856 179261121 /nfs/dbraw/zinc/26/11/21/179261121.db2.gz BBSYSHODQRVALB-YOEHRIQHSA-N 1 0 284.407 2.129 10 0 CEAERO CC(C)[C@H]1C[NH2+][C@H](C2CC2)CN1Cc1cscn1 ZINC000086265438 179261858 /nfs/dbraw/zinc/26/18/58/179261858.db2.gz JGLLWTHKNOIQKM-UONOGXRCSA-N 1 0 265.426 2.352 10 0 CEAERO C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccccc1Br ZINC000086270606 179261960 /nfs/dbraw/zinc/26/19/60/179261960.db2.gz MELXDHWYDMHLHJ-BDAKNGLRSA-N 1 0 283.169 2.386 10 0 CEAERO CCC[C@@H](COC)[N@@H+]1CC2(CCCC2)NC[C@@H]1C ZINC000086267577 179262037 /nfs/dbraw/zinc/26/20/37/179262037.db2.gz QOJZNTIOEKRROK-KBPBESRZSA-N 1 0 254.418 2.408 10 0 CEAERO C[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1CCc1cscn1 ZINC000086265599 179262193 /nfs/dbraw/zinc/26/21/93/179262193.db2.gz VGENBVSHKUIGPB-YPMHNXCESA-N 1 0 267.442 2.394 10 0 CEAERO COc1ccc(CCN2CCC[NH2+][C@H](C3CC3)C2)cc1 ZINC000086269456 179262460 /nfs/dbraw/zinc/26/24/60/179262460.db2.gz QNFTXHZFASZAIN-KRWDZBQOSA-N 1 0 274.408 2.312 10 0 CEAERO C[C@H](CNc1nc(Br)cs1)[NH+](C)C ZINC000086279113 179262636 /nfs/dbraw/zinc/26/26/36/179262636.db2.gz MVIZEHKQXLWTJO-ZCFIWIBFSA-N 1 0 264.192 2.268 10 0 CEAERO [NH3+]CCCCNc1nc(Br)cs1 ZINC000086278392 179263120 /nfs/dbraw/zinc/26/31/20/179263120.db2.gz TWILHTDXQTYRQS-UHFFFAOYSA-N 1 0 250.165 2.056 10 0 CEAERO C[NH+](C)[C@@H]1CCN(c2nc(Br)cs2)C1 ZINC000086291150 179265236 /nfs/dbraw/zinc/26/52/36/179265236.db2.gz SFRHQPRNROKQGB-SSDOTTSWSA-N 1 0 276.203 2.046 10 0 CEAERO c1ccc([C@H]2C[N@H+](C3CCOCC3)CCCN2)cc1 ZINC000086287279 179264225 /nfs/dbraw/zinc/26/42/25/179264225.db2.gz QQNIKBFDVZCUSE-MRXNPFEDSA-N 1 0 260.381 2.202 10 0 CEAERO CC[C@H]1CN(CCc2cccc(F)c2)CCC[NH2+]1 ZINC000086287247 179264233 /nfs/dbraw/zinc/26/42/33/179264233.db2.gz ZQWGASQIWQKSMT-HNNXBMFYSA-N 1 0 250.361 2.442 10 0 CEAERO CCn1cc(N2CCC[NH2+][C@@H](C(C)(C)C)C2)cn1 ZINC000086287196 179264929 /nfs/dbraw/zinc/26/49/29/179264929.db2.gz BAEJVGOYRCRUES-CYBMUJFWSA-N 1 0 250.390 2.117 10 0 CEAERO COCCCC[N@@H+]1CCCN[C@H](c2ccccc2)C1 ZINC000086291778 179266634 /nfs/dbraw/zinc/26/66/34/179266634.db2.gz WRYZRPXORSWPAF-INIZCTEOSA-N 1 0 262.397 2.450 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])c2cccc(Cl)c2S(=O)(=O)[C@H]1C ZINC000086308939 179268797 /nfs/dbraw/zinc/26/87/97/179268797.db2.gz JBUKTKAAUDHQIP-MHYGZLNHSA-N 1 0 259.758 2.152 10 0 CEAERO CC[C@@]1(C)CN(CCc2cscn2)CCC[NH2+]1 ZINC000086297916 179269212 /nfs/dbraw/zinc/26/92/12/179269212.db2.gz ZJPQAAURTYYOQI-ZDUSSCGKSA-N 1 0 253.415 2.150 10 0 CEAERO O=C(N[C@@H]1CC[NH2+]C2(CCCCC2)C1)c1ccncc1F ZINC000086316711 179269418 /nfs/dbraw/zinc/26/94/18/179269418.db2.gz BVUUVOAEMUTSBI-GFCCVEGCSA-N 1 0 291.370 2.405 10 0 CEAERO CCc1nn(C)c(CC2(CC)C[NH2+]C2)c1Br ZINC000086396191 179285276 /nfs/dbraw/zinc/28/52/76/179285276.db2.gz ADPVQBQJAKLXJT-UHFFFAOYSA-N 1 0 286.217 2.287 10 0 CEAERO [NH3+][C@H]1CC[C@H](Oc2nc(Br)cs2)C1 ZINC000086408376 179285886 /nfs/dbraw/zinc/28/58/86/179285886.db2.gz LJGOLIYELWJDOY-WDSKDSINSA-N 1 0 263.160 2.164 10 0 CEAERO C[NH2+][C@H]1CCCc2sc(N3CCSCC3)nc21 ZINC000086442379 179294172 /nfs/dbraw/zinc/29/41/72/179294172.db2.gz KSJMPISIMAOAOL-VIFPVBQESA-N 1 0 269.439 2.293 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)c1ccc2c[nH]nc2c1 ZINC000086446238 179294663 /nfs/dbraw/zinc/29/46/63/179294663.db2.gz HWQYHDKLKAWDJJ-UONOGXRCSA-N 1 0 286.379 2.166 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)c1ccccc1OC ZINC000086446001 179294789 /nfs/dbraw/zinc/29/47/89/179294789.db2.gz JICOXGSIAVCEQB-QWHCGFSZSA-N 1 0 276.380 2.298 10 0 CEAERO CC[NH+](CC)[C@@H]1CCN(c2nc3c(s2)CCC[C@@H]3O)C1 ZINC000086444783 179294841 /nfs/dbraw/zinc/29/48/41/179294841.db2.gz LNPDCLYLOMJIMX-NEPJUHHUSA-N 1 0 295.452 2.433 10 0 CEAERO CC[NH+]1CCC(N(C)c2nc3c(s2)CCC[C@H]3O)CC1 ZINC000086444627 179295043 /nfs/dbraw/zinc/29/50/43/179295043.db2.gz QBABZWQZLMDRAV-GFCCVEGCSA-N 1 0 295.452 2.433 10 0 CEAERO COCC1CCN(c2nc3c(s2)CCC[C@@H]3[NH3+])CC1 ZINC000086444256 179295111 /nfs/dbraw/zinc/29/51/11/179295111.db2.gz RGGPNELXWNMIAY-NSHDSACASA-N 1 0 281.425 2.342 10 0 CEAERO CC[C@H]1CN(C(=O)c2ccc(OC)cc2O)[C@@H](CC)C[NH2+]1 ZINC000086446957 179295880 /nfs/dbraw/zinc/29/58/80/179295880.db2.gz LUOINPCLEVDBMH-RYUDHWBXSA-N 1 0 292.379 2.003 10 0 CEAERO CC[C@@H]1CN(C(=O)c2ccc(C)o2)[C@H](CC)C[NH2+]1 ZINC000086447333 179295771 /nfs/dbraw/zinc/29/57/71/179295771.db2.gz FKQAWYRHBJYMEK-VXGBXAGGSA-N 1 0 250.342 2.191 10 0 CEAERO CSCC[C@H](C[NH3+])N(C)CCc1cccs1 ZINC000086440829 179292707 /nfs/dbraw/zinc/29/27/07/179292707.db2.gz MPUGHQIOWFLYJJ-LLVKDONJSA-N 1 0 258.456 2.303 10 0 CEAERO Cc1cccc(-c2nc(CN3C[C@H](C)[NH2+]C[C@@H]3C)no2)c1 ZINC000086470555 179300716 /nfs/dbraw/zinc/30/07/16/179300716.db2.gz REYHPCZBGZDWEP-STQMWFEESA-N 1 0 286.379 2.227 10 0 CEAERO C1CC(c2noc([C@H]3CCCN3C3CC[NH2+]CC3)n2)C1 ZINC000086485999 179301533 /nfs/dbraw/zinc/30/15/33/179301533.db2.gz LLHFCWUZKCRXSH-CYBMUJFWSA-N 1 0 276.384 2.226 10 0 CEAERO Cc1nc([C@@H]2Cc3ccccc32)nc(C)c1CC[NH3+] ZINC000086490825 179302201 /nfs/dbraw/zinc/30/22/01/179302201.db2.gz ADSZOBSPQAVLTP-OAHLLOKOSA-N 1 0 253.349 2.283 10 0 CEAERO CCCN(CCC)C(=O)CN1C[C@H](CC)[NH2+]C[C@@H]1CC ZINC000086463708 179296267 /nfs/dbraw/zinc/29/62/67/179296267.db2.gz NZNFOOXPKPYWQI-GJZGRUSLSA-N 1 0 283.460 2.097 10 0 CEAERO CCN1C(=[NH2+])NC[C@@H]1c1ccccc1Br ZINC000086459423 179296268 /nfs/dbraw/zinc/29/62/68/179296268.db2.gz SAFHWSNNOHCNDX-SNVBAGLBSA-N 1 0 268.158 2.140 10 0 CEAERO CCN1C(=[NH2+])NC[C@H]1c1cc(Br)ccc1F ZINC000086459482 179296452 /nfs/dbraw/zinc/29/64/52/179296452.db2.gz OJGQBYFYZARLOS-JTQLQIEISA-N 1 0 286.148 2.280 10 0 CEAERO CC[C@H]1CN(Cc2nc(C(C)(C)C)no2)[C@@H](CC)C[NH2+]1 ZINC000086463776 179296522 /nfs/dbraw/zinc/29/65/22/179296522.db2.gz DCIMHZFMMLJZJK-RYUDHWBXSA-N 1 0 280.416 2.330 10 0 CEAERO CC[C@H]1CN(Cc2occc2C(=O)OC)[C@@H](CC)C[NH2+]1 ZINC000086464450 179296830 /nfs/dbraw/zinc/29/68/30/179296830.db2.gz DEXCCNZGGCBJKA-RYUDHWBXSA-N 1 0 280.368 2.029 10 0 CEAERO CC[C@H]1CN(Cc2ccc(C(=O)OC)o2)[C@@H](CC)C[NH2+]1 ZINC000086464860 179296880 /nfs/dbraw/zinc/29/68/80/179296880.db2.gz BBIAZIMHXNQWMA-RYUDHWBXSA-N 1 0 280.368 2.029 10 0 CEAERO CC[C@H]1CN(Cc2nnc(C(C)(C)C)o2)[C@@H](CC)C[NH2+]1 ZINC000086464866 179297035 /nfs/dbraw/zinc/29/70/35/179297035.db2.gz JLUPQTHSWKTANO-RYUDHWBXSA-N 1 0 280.416 2.330 10 0 CEAERO CC[C@@H]1CN(CC(=O)N2CCCCCCC2)[C@@H](CC)C[NH2+]1 ZINC000086464746 179297100 /nfs/dbraw/zinc/29/71/00/179297100.db2.gz YETXOGBWAVTCPO-CVEARBPZSA-N 1 0 295.471 2.242 10 0 CEAERO CC[C@H]1CN(CCC(=O)Nc2ccccc2)[C@@H](CC)C[NH2+]1 ZINC000086465695 179297306 /nfs/dbraw/zinc/29/73/06/179297306.db2.gz GDQUBQWZSUMMJP-HOCLYGCPSA-N 1 0 289.423 2.478 10 0 CEAERO C[C@H]1CN(C(=O)c2cc(Cl)cn2C2CC2)[C@@H](C)C[NH2+]1 ZINC000086467585 179298082 /nfs/dbraw/zinc/29/80/82/179298082.db2.gz RZXBCPNMOZIPMF-UWVGGRQHSA-N 1 0 281.787 2.299 10 0 CEAERO Cn1cc([C@H]([NH3+])c2cscc2Br)cn1 ZINC000086555577 179307385 /nfs/dbraw/zinc/30/73/85/179307385.db2.gz LWDBAIFVFWPFJQ-VIFPVBQESA-N 1 0 272.171 2.292 10 0 CEAERO CCCC1CC(C[NH2+]C(C)(C)C)(S(C)(=O)=O)C1 ZINC000086545641 179307390 /nfs/dbraw/zinc/30/73/90/179307390.db2.gz QTRSTNSVEMCIEU-UHFFFAOYSA-N 1 0 261.431 2.368 10 0 CEAERO [NH3+]Cc1ccc2c(c1)nc(-c1cn[nH]c1)n2C1CC1 ZINC000086641560 179314723 /nfs/dbraw/zinc/31/47/23/179314723.db2.gz KAFBWSWVNSHJTL-UHFFFAOYSA-N 1 0 253.309 2.220 10 0 CEAERO Cn1cc(-c2nc3cc(C[NH3+])ccc3n2C2CC2)cn1 ZINC000086641638 179314746 /nfs/dbraw/zinc/31/47/46/179314746.db2.gz JEJYDGLIRPNWAO-UHFFFAOYSA-N 1 0 267.336 2.230 10 0 CEAERO Cn1nccc1-c1nc2cc(C[NH3+])ccc2n1C1CC1 ZINC000086641642 179315042 /nfs/dbraw/zinc/31/50/42/179315042.db2.gz AZWQBXVIJOBBLH-UHFFFAOYSA-N 1 0 267.336 2.230 10 0 CEAERO COc1ccc([C@@H]2C[NH2+]C[C@H](C)CO2)c(OC)c1 ZINC000086633889 179315181 /nfs/dbraw/zinc/31/51/81/179315181.db2.gz ZWJLVBLWKVHQQK-HZMBPMFUSA-N 1 0 251.326 2.001 10 0 CEAERO C[N@H+](CC(N)=S)Cc1cc(F)cc(Br)c1 ZINC000086694750 179320876 /nfs/dbraw/zinc/32/08/76/179320876.db2.gz YJVRVUQNLPJKCU-UHFFFAOYSA-N 1 0 291.189 2.306 10 0 CEAERO COC[C@@H](NC(=O)Nc1ccc([C@H](C)[NH3+])cc1)C(C)C ZINC000086706956 179322033 /nfs/dbraw/zinc/32/20/33/179322033.db2.gz KHRRURLKORWJFK-SMDDNHRTSA-N 1 0 279.384 2.499 10 0 CEAERO CS(=O)(=O)[C@H]1CCC[C@@H]1[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000086673600 179317609 /nfs/dbraw/zinc/31/76/09/179317609.db2.gz ZBLWUYVUZZCMQC-CYNAHEBQSA-N 1 0 297.464 2.366 10 0 CEAERO CC1(C[NH2+][C@@H]2CCC[C@H]2S(C)(=O)=O)CCCC1 ZINC000086676102 179319639 /nfs/dbraw/zinc/31/96/39/179319639.db2.gz DUDSCSMIFCLELC-VXGBXAGGSA-N 1 0 259.415 2.122 10 0 CEAERO CCN1CC[C@@H]([NH2+][C@@H](C)Cc2ccccc2OC)C1 ZINC000336895063 365939486 /nfs/dbraw/zinc/93/94/86/365939486.db2.gz MKAJNEGXFQPIKD-DZGCQCFKSA-N 1 0 262.397 2.310 10 0 CEAERO CC[NH+](CC)CCSCc1c[nH]c(=NN)s1 ZINC000086776343 179328609 /nfs/dbraw/zinc/32/86/09/179328609.db2.gz PKRBPWPJZGVURT-UHFFFAOYSA-N 1 0 260.432 2.004 10 0 CEAERO CCCC1CCC(C[NH3+])(OC[C@@H](O)COC(C)C)CC1 ZINC000086713391 179322692 /nfs/dbraw/zinc/32/26/92/179322692.db2.gz FQAGIQQVSINZAT-PCKAHOCUSA-N 1 0 287.444 2.477 10 0 CEAERO CC(C)OC(=O)COC1(C[NH3+])CCC(C(C)C)CC1 ZINC000086713519 179322706 /nfs/dbraw/zinc/32/27/06/179322706.db2.gz GVTBGDVUVOUOLE-UHFFFAOYSA-N 1 0 271.401 2.498 10 0 CEAERO C[C@@H]1CCC[C@@](C[NH3+])(OCC(=O)NCc2ccccc2)C1 ZINC000086712355 179322752 /nfs/dbraw/zinc/32/27/52/179322752.db2.gz GZGQYPUTMBGBOM-RHSMWYFYSA-N 1 0 290.407 2.227 10 0 CEAERO CCCC1CCC(C[NH3+])(OC[C@@H](O)COCC)CC1 ZINC000086713371 179322914 /nfs/dbraw/zinc/32/29/14/179322914.db2.gz RCSBAZKIBIVBSJ-SLTAFYQDSA-N 1 0 273.417 2.088 10 0 CEAERO CCCC1CCC(C[NH3+])(O[C@@H](C)C(=O)NC2CC2)CC1 ZINC000086713402 179322970 /nfs/dbraw/zinc/32/29/70/179322970.db2.gz QFDAZRSTMRECJU-FUJMWEONSA-N 1 0 282.428 2.358 10 0 CEAERO CCC[NH+]1CCC([N@@H+]2CC[C@](CCC)(C(=O)[O-])C2)CC1 ZINC000086781874 179331059 /nfs/dbraw/zinc/33/10/59/179331059.db2.gz DBQCACSWICYKGO-INIZCTEOSA-N 1 0 282.428 2.438 10 0 CEAERO CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000086786683 179333077 /nfs/dbraw/zinc/33/30/77/179333077.db2.gz SHROEXUGEZWSPC-TZMCWYRMSA-N 1 0 268.401 2.094 10 0 CEAERO CCNC(=O)c1ccc(N[C@H]2CCC[N@H+](C)CC2)cc1 ZINC000086818244 179347405 /nfs/dbraw/zinc/34/74/05/179347405.db2.gz XVIVKPKIMWFCDU-AWEZNQCLSA-N 1 0 275.396 2.333 10 0 CEAERO CN[C@]1(c2nc(C)c(C)s2)CCC[N@H+](C)CC1 ZINC000086833639 179349720 /nfs/dbraw/zinc/34/97/20/179349720.db2.gz HUEYVQJNXFCODA-CYBMUJFWSA-N 1 0 253.415 2.290 10 0 CEAERO C[N@@H+]1CCC[C@](O)([C@@H]2CCc3ccccc3N2)CC1 ZINC000086834091 179349284 /nfs/dbraw/zinc/34/92/84/179349284.db2.gz DTEPFLLPCGUNRR-JKSUJKDBSA-N 1 0 260.381 2.260 10 0 CEAERO CCC[NH+]1CCC([N@@H+]2CCC[C@H](CCC(=O)[O-])C2)CC1 ZINC000086809487 179340236 /nfs/dbraw/zinc/34/02/36/179340236.db2.gz AWRZQIPOKNTOFH-CQSZACIVSA-N 1 0 282.428 2.438 10 0 CEAERO CC(C)[N@@H+]1CCC[C@H](Nc2ccc(C(N)=O)cc2)CC1 ZINC000086835244 179349489 /nfs/dbraw/zinc/34/94/89/179349489.db2.gz YUOFBWXGAKMVKJ-AWEZNQCLSA-N 1 0 275.396 2.460 10 0 CEAERO CCC[C@@]1(C(=O)[O-])CC[N@@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC000086834586 179349498 /nfs/dbraw/zinc/34/94/98/179349498.db2.gz DIIOZKUHHMBOKH-UKRRQHHQSA-N 1 0 268.401 2.048 10 0 CEAERO COc1ccc([C@@]2(O)CCC[N@H+](C)CC2)cc1OC ZINC000086834005 179349629 /nfs/dbraw/zinc/34/96/29/179349629.db2.gz ZAGOUBJCEPSYKW-OAHLLOKOSA-N 1 0 265.353 2.007 10 0 CEAERO CCOC(=O)[C@]1(N[C@@H](C)CC)CCC[N@H+](CC)CC1 ZINC000086850538 179357741 /nfs/dbraw/zinc/35/77/41/179357741.db2.gz YSBOUCOXYFQKBL-ZFWWWQNUSA-N 1 0 270.417 2.182 10 0 CEAERO CCOC(=O)[C@]1(NC2CCCCC2)CCC[N@H+](C)CC1 ZINC000086833407 179350510 /nfs/dbraw/zinc/35/05/10/179350510.db2.gz QQGKZEBRWGFQQF-INIZCTEOSA-N 1 0 282.428 2.326 10 0 CEAERO CCC[N@@H+]1CCC[C@@H](N[C@@H](CC(C)C)C(=O)OC)CC1 ZINC000086838338 179351408 /nfs/dbraw/zinc/35/14/08/179351408.db2.gz LVIBVJKCCXKTDZ-CABCVRRESA-N 1 0 284.444 2.428 10 0 CEAERO CCC[N@@H+]1CCC[C@H](Nc2cccc(C(N)=O)c2)CC1 ZINC000086836280 179351807 /nfs/dbraw/zinc/35/18/07/179351807.db2.gz JPSFKRQTAKAWFK-AWEZNQCLSA-N 1 0 275.396 2.462 10 0 CEAERO CCC[N@@H+]1CCC[C@H](Nc2ccc(CC(N)=O)cc2)CC1 ZINC000086839196 179352154 /nfs/dbraw/zinc/35/21/54/179352154.db2.gz NEICPPFXKHOGJC-HNNXBMFYSA-N 1 0 289.423 2.391 10 0 CEAERO CCC[N@@H+]1CCC[C@H](NCc2cc(C)no2)CC1 ZINC000086843579 179353000 /nfs/dbraw/zinc/35/30/00/179353000.db2.gz SPANCBQEHHSREC-ZDUSSCGKSA-N 1 0 251.374 2.337 10 0 CEAERO CC(C)[N@@H+]1CCC[C@@H]([NH+](CCC(=O)[O-])C2CC2)CC1 ZINC000086868724 179361362 /nfs/dbraw/zinc/36/13/62/179361362.db2.gz IOSDLJOABJBHNU-CYBMUJFWSA-N 1 0 268.401 2.188 10 0 CEAERO CC[N@H+]([C@@H](C)CC(=O)[O-])[C@@H]1CCC[NH+](CC)CC1 ZINC000086868965 179362504 /nfs/dbraw/zinc/36/25/04/179362504.db2.gz FGYMFRLVAQIBNU-QWHCGFSZSA-N 1 0 256.390 2.046 10 0 CEAERO C[C@@H]([NH2+][C@H]1CCCOCC1)c1ccc(NC(N)=O)cc1 ZINC000086873203 179364776 /nfs/dbraw/zinc/36/47/76/179364776.db2.gz BSHJURAGRXAUQX-YPMHNXCESA-N 1 0 277.368 2.397 10 0 CEAERO CC(C)[N@@H+]1CCC[C@](N)(c2noc(C(C)(C)C)n2)CC1 ZINC000086851773 179359295 /nfs/dbraw/zinc/35/92/95/179359295.db2.gz FCIKISYOBYYGQY-OAHLLOKOSA-N 1 0 280.416 2.415 10 0 CEAERO CCOc1cccc([C@@H]([NH3+])CCCS(=O)(=O)CC)c1 ZINC000086978433 179372508 /nfs/dbraw/zinc/37/25/08/179372508.db2.gz LEGAXWDSPWSMFS-AWEZNQCLSA-N 1 0 285.409 2.300 10 0 CEAERO CCC[NH2+][C@@H](CCCS(=O)(=O)CC)Cc1ccccn1 ZINC000086978873 179372529 /nfs/dbraw/zinc/37/25/29/179372529.db2.gz ILSDIVLHDSSOLK-HNNXBMFYSA-N 1 0 298.452 2.207 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH3+])c1ccccc1C ZINC000086978629 179372543 /nfs/dbraw/zinc/37/25/43/179372543.db2.gz JUBHDUARBHCNSY-CYBMUJFWSA-N 1 0 255.383 2.210 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH2+]C)c1cccc(OC)c1 ZINC000086978399 179372546 /nfs/dbraw/zinc/37/25/46/179372546.db2.gz GBFYSNKSJRDYRV-CQSZACIVSA-N 1 0 285.409 2.171 10 0 CEAERO CCS(=O)(=O)CCC[C@@H](Cc1ccccc1F)[NH2+]C ZINC000086979074 179372747 /nfs/dbraw/zinc/37/27/47/179372747.db2.gz WSBVATJUYFSWEP-ZDUSSCGKSA-N 1 0 287.400 2.171 10 0 CEAERO CC[NH2+][C@@H](CCCS(=O)(=O)CC)c1ccoc1 ZINC000086979758 179373016 /nfs/dbraw/zinc/37/30/16/179373016.db2.gz HPFJTSJYCSJTKR-LBPRGKRZSA-N 1 0 259.371 2.145 10 0 CEAERO [NH3+]C[C@]1(N(Cc2ccco2)C2CC2)CCCOCC1 ZINC000086875433 179365464 /nfs/dbraw/zinc/36/54/64/179365464.db2.gz MRCGBFAIAOBNPM-HNNXBMFYSA-N 1 0 264.369 2.142 10 0 CEAERO COc1cccc(N(C)[C@@]2(C[NH3+])CCCOCC2)c1 ZINC000086875534 179365486 /nfs/dbraw/zinc/36/54/86/179365486.db2.gz OTEAEVMGSOGOSL-HNNXBMFYSA-N 1 0 264.369 2.029 10 0 CEAERO CCN(Cc1cccs1)[C@]1(C[NH3+])CCCOCC1 ZINC000086875224 179365501 /nfs/dbraw/zinc/36/55/01/179365501.db2.gz AJNVFGCCTJOCBD-CQSZACIVSA-N 1 0 268.426 2.468 10 0 CEAERO CCC[NH2+][C@H]([C@@H]1CCOC1)[C@@H]1CSCCS1 ZINC000086984600 179374020 /nfs/dbraw/zinc/37/40/20/179374020.db2.gz BNWHNSFSEKOHPC-GRYCIOLGSA-N 1 0 261.456 2.240 10 0 CEAERO CC[C@H]1CCC[C@@]([NH2+]CCN(CC)CC)(C(N)=O)CC1 ZINC000086914596 179366898 /nfs/dbraw/zinc/36/68/98/179366898.db2.gz TXTJNPIUQQHODY-HOCLYGCPSA-N 1 0 283.460 2.132 10 0 CEAERO CC[C@@H]1CCC[C@](C(=O)[O-])([N@@H+]2CCC[NH2+]CC2)CC1 ZINC000086915559 179367325 /nfs/dbraw/zinc/36/73/25/179367325.db2.gz VLEFRJCPFNHKOX-HIFRSBDPSA-N 1 0 268.401 2.095 10 0 CEAERO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC(=O)NC2)CC1 ZINC000086946946 179368017 /nfs/dbraw/zinc/36/80/17/179368017.db2.gz AHQMCUWFIDHKTO-HZSPNIEDSA-N 1 0 252.402 2.460 10 0 CEAERO CCC[C@@H]1CCC[C@](C[NH3+])(N2CCOCC2)CC1 ZINC000086947845 179368678 /nfs/dbraw/zinc/36/86/78/179368678.db2.gz NUVPDTHTVAGPPP-CABCVRRESA-N 1 0 254.418 2.397 10 0 CEAERO CC[NH2+][C@@H](C1CCOCC1)[C@H]1CSCCS1 ZINC000086984381 179373887 /nfs/dbraw/zinc/37/38/87/179373887.db2.gz FVARYLNFTWBBEF-NEPJUHHUSA-N 1 0 261.456 2.240 10 0 CEAERO C[NH2+][C@@H]1CC(C)(C)Cc2nc(CCCOC)ncc21 ZINC000086971274 179370472 /nfs/dbraw/zinc/37/04/72/179370472.db2.gz WPPLHTRCICZWGK-GFCCVEGCSA-N 1 0 263.385 2.289 10 0 CEAERO CCC[NH2+][C@@H](CCCOC)c1c(C)ccnc1N ZINC000086970642 179370646 /nfs/dbraw/zinc/37/06/46/179370646.db2.gz JWUQLQYFXDVRLT-LBPRGKRZSA-N 1 0 251.374 2.440 10 0 CEAERO CC[C@H]([NH3+])c1ccc(OCCCS(=O)(=O)CC)cc1 ZINC000086972637 179371327 /nfs/dbraw/zinc/37/13/27/179371327.db2.gz UNOQRCKPMYJLMX-AWEZNQCLSA-N 1 0 285.409 2.300 10 0 CEAERO CCS(=O)(=O)CCCOc1cccc(C[NH2+]C(C)C)c1 ZINC000086972760 179371463 /nfs/dbraw/zinc/37/14/63/179371463.db2.gz FPQZHDHIVQALNH-UHFFFAOYSA-N 1 0 299.436 2.388 10 0 CEAERO CCS(=O)(=O)CCC[C@](C)([NH3+])c1ccc(OC)cc1 ZINC000086977378 179371976 /nfs/dbraw/zinc/37/19/76/179371976.db2.gz BVCVSZPVTJVARJ-AWEZNQCLSA-N 1 0 285.409 2.084 10 0 CEAERO CC[C@@](C)(O)C[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000087011781 179379301 /nfs/dbraw/zinc/37/93/01/179379301.db2.gz FYJHDMIORWXGCK-JKSUJKDBSA-N 1 0 262.397 2.012 10 0 CEAERO CCC(O)(CC)C[NH2+][C@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000087014744 179380154 /nfs/dbraw/zinc/38/01/54/179380154.db2.gz LTCUEDHAOMUVMP-LLVKDONJSA-N 1 0 292.379 2.219 10 0 CEAERO CCC(O)(CC)C[NH2+]C[C@](C)(O)c1ccccc1 ZINC000087028537 179381906 /nfs/dbraw/zinc/38/19/06/179381906.db2.gz VXAOQJACZVHMRD-AWEZNQCLSA-N 1 0 251.370 2.035 10 0 CEAERO COc1ccc([C@@H]2[C@@H]([NH3+])CCN2C2CC2)cc1F ZINC000086995396 179375871 /nfs/dbraw/zinc/37/58/71/179375871.db2.gz IITUWGVZBVFIOS-GXTWGEPZSA-N 1 0 250.317 2.071 10 0 CEAERO CC[NH2+]C[C@H]1CCN(C)[C@@H]1c1ccc(OC)c(F)c1 ZINC000086994834 179375896 /nfs/dbraw/zinc/37/58/96/179375896.db2.gz KIHWAACTKLXCQR-IUODEOHRSA-N 1 0 266.360 2.437 10 0 CEAERO CCN1CC[C@H](C[NH3+])[C@@H]1c1ccc(OC)c(F)c1 ZINC000086994891 179376225 /nfs/dbraw/zinc/37/62/25/179376225.db2.gz LMZNHDJRNZBURM-RISCZKNCSA-N 1 0 252.333 2.176 10 0 CEAERO CCCN1CC[C@H]([NH3+])[C@@H]1c1ccc(OC)c(F)c1 ZINC000086995386 179376345 /nfs/dbraw/zinc/37/63/45/179376345.db2.gz OCUHIKKLSPHADI-JSGCOSHPSA-N 1 0 252.333 2.318 10 0 CEAERO CCC[C@H](CC[NH3+])CCC(=O)NCC1(O)CCCCC1 ZINC000087027553 179381949 /nfs/dbraw/zinc/38/19/49/179381949.db2.gz PICZVLSXPBVJKK-AWEZNQCLSA-N 1 0 284.444 2.343 10 0 CEAERO C[C@H](C[NH3+])c1noc(-c2c(F)cc(F)cc2F)n1 ZINC000086998691 179378193 /nfs/dbraw/zinc/37/81/93/179378193.db2.gz NTHKOPRSOJJARE-RXMQYKEDSA-N 1 0 257.215 2.216 10 0 CEAERO CC[C@@]1(C)C[NH2+]C[C@@H](c2ccc3c(c2)OCCO3)O1 ZINC000087006689 179378534 /nfs/dbraw/zinc/37/85/34/179378534.db2.gz SGUVUAKIJCEZJJ-GJZGRUSLSA-N 1 0 263.337 2.287 10 0 CEAERO CC1CCC(O)(C[NH2+]CC(=O)Nc2ccc(F)cc2)CC1 ZINC000087061807 179389287 /nfs/dbraw/zinc/38/92/87/179389287.db2.gz ADYMATUANLVZGV-UHFFFAOYSA-N 1 0 294.370 2.295 10 0 CEAERO [NH3+][C@@H]1COC[C@@H]1c1nc2cc(Br)ccc2o1 ZINC000087049591 179388571 /nfs/dbraw/zinc/38/85/71/179388571.db2.gz CIVFDRYTFXGTON-JGVFFNPUSA-N 1 0 283.125 2.031 10 0 CEAERO C[C@@H]1CCC[C@](O)(C[NH2+]Cc2ccc3c(c2)OCO3)C1 ZINC000087051282 179389037 /nfs/dbraw/zinc/38/90/37/179389037.db2.gz TYIVATIPFMKJCQ-MLGOLLRUSA-N 1 0 277.364 2.446 10 0 CEAERO CC(C)C[C@H](C)OC[C@H](O)C[NH2+]CC1(O)CCCCC1 ZINC000087029076 179382252 /nfs/dbraw/zinc/38/22/52/179382252.db2.gz NGXIDIMZNFOWOA-LSDHHAIUSA-N 1 0 287.444 2.083 10 0 CEAERO CCOc1cc2c(cc1[C@H]1C[NH2+]CCO1)O[C@@H](C)C2 ZINC000087090036 179394261 /nfs/dbraw/zinc/39/42/61/179394261.db2.gz DUWGHONOLBGTTL-ZUZCIYMTSA-N 1 0 263.337 2.070 10 0 CEAERO CC[C@@H]1C[NH2+]C[C@@H](c2ccc3c(c2)OCCCO3)O1 ZINC000087090224 179394479 /nfs/dbraw/zinc/39/44/79/179394479.db2.gz ASSNDCNXAOXTCG-DOMZBBRYSA-N 1 0 263.337 2.287 10 0 CEAERO Cc1cccc(NC(=O)C[NH2+]C[C@]2(O)CCC[C@@H](C)C2)c1 ZINC000087065330 179390022 /nfs/dbraw/zinc/39/00/22/179390022.db2.gz UIWDMFCSQPULGZ-PBHICJAKSA-N 1 0 290.407 2.464 10 0 CEAERO Cc1ccc(NC(=O)C[NH2+]C[C@]2(O)CCC[C@@H](C)C2)cc1 ZINC000087064544 179390415 /nfs/dbraw/zinc/39/04/15/179390415.db2.gz MAAUJNGLBNLGNU-PBHICJAKSA-N 1 0 290.407 2.464 10 0 CEAERO Cc1nc(C[NH2+]CC2(O)CCCCCC2)oc1C ZINC000087089505 179393331 /nfs/dbraw/zinc/39/33/31/179393331.db2.gz MALIJSFUSDCYNQ-UHFFFAOYSA-N 1 0 252.358 2.466 10 0 CEAERO C[C@H]([NH2+]CC1(O)CCCCCC1)C(=O)N1CCCCCC1 ZINC000087089384 179393655 /nfs/dbraw/zinc/39/36/55/179393655.db2.gz ULIUGJCDCPCEDU-HNNXBMFYSA-N 1 0 296.455 2.452 10 0 CEAERO C[C@]([NH3+])(C(=O)NCC1(O)CCCCCC1)c1ccccc1 ZINC000087089947 179393687 /nfs/dbraw/zinc/39/36/87/179393687.db2.gz RBZABBMACPJMSL-MRXNPFEDSA-N 1 0 290.407 2.062 10 0 CEAERO CC(C)SCc1noc([C@@]2(C)CCC[NH2+]C2)n1 ZINC000087108592 179395658 /nfs/dbraw/zinc/39/56/58/179395658.db2.gz SDZKHJMCXBQPHC-LBPRGKRZSA-N 1 0 255.387 2.352 10 0 CEAERO CC(C)N1CC[C@H]([NH2+]CC2(O)CCCCCC2)C1 ZINC000087088653 179393774 /nfs/dbraw/zinc/39/37/74/179393774.db2.gz LYWVURFZCGWTPZ-AWEZNQCLSA-N 1 0 254.418 2.144 10 0 CEAERO CCOCC[NH2+]CCOCc1ccc(Cl)cc1 ZINC000087096693 179394087 /nfs/dbraw/zinc/39/40/87/179394087.db2.gz WADDGCCLDDZUPR-UHFFFAOYSA-N 1 0 257.761 2.483 10 0 CEAERO CC(C)[NH2+]C[C@H](O)COCc1cccc(Cl)c1 ZINC000087093556 179394142 /nfs/dbraw/zinc/39/41/42/179394142.db2.gz XYSAGRHWNJRVLX-ZDUSSCGKSA-N 1 0 257.761 2.216 10 0 CEAERO CC[C@@H](C)SCc1ncc(C[NH2+]CCOC)cn1 ZINC000087140043 179397491 /nfs/dbraw/zinc/39/74/91/179397491.db2.gz ZLIFZQHSRULZPO-LLVKDONJSA-N 1 0 269.414 2.244 10 0 CEAERO C[NH2+]Cc1cc(=O)[nH]c(CSC2CCCCC2)n1 ZINC000087151904 179397867 /nfs/dbraw/zinc/39/78/67/179397867.db2.gz PQHSJRHAYPVFNQ-UHFFFAOYSA-N 1 0 267.398 2.055 10 0 CEAERO Nc1cc[nH+]cc1C[C@H](O)CSc1ccccc1 ZINC000087161895 179397891 /nfs/dbraw/zinc/39/78/91/179397891.db2.gz GUZAGEVTAHSGKC-LBPRGKRZSA-N 1 0 260.362 2.360 10 0 CEAERO COc1ccc(C[C@](C)(O)[C@@H]2CCC[NH2+]C2)cc1F ZINC000087172671 179399208 /nfs/dbraw/zinc/39/92/08/179399208.db2.gz ZMXKUXCWOYMCPY-DOMZBBRYSA-N 1 0 267.344 2.127 10 0 CEAERO COC(C[NH3+])(OC)c1ccc(Cl)c(Cl)c1 ZINC000087224741 179402860 /nfs/dbraw/zinc/40/28/60/179402860.db2.gz DFPYLRXQAWZQDS-UHFFFAOYSA-N 1 0 250.125 2.398 10 0 CEAERO CC(C)[NH2+]Cc1cc(=O)[nH]c(CSC(C)(C)C)n1 ZINC000087120845 179396039 /nfs/dbraw/zinc/39/60/39/179396039.db2.gz MYQWMERTJHXJOA-UHFFFAOYSA-N 1 0 269.414 2.300 10 0 CEAERO COc1ccc(C)cc1[C@@H](C[NH3+])[C@@H](O)c1ccoc1 ZINC000087352920 179415510 /nfs/dbraw/zinc/41/55/10/179415510.db2.gz JVYZAQLJWZVEAG-HIFRSBDPSA-N 1 0 261.321 2.373 10 0 CEAERO CC(C)C[C@H](C[NH3+])[C@H](O)c1cccc2c1OCCO2 ZINC000087379427 179417758 /nfs/dbraw/zinc/41/77/58/179417758.db2.gz HVUGVBHGAAMEOS-RISCZKNCSA-N 1 0 265.353 2.112 10 0 CEAERO CCC[C@H](C[NH3+])NC(=O)Cc1ccc(Br)cc1 ZINC000087387445 179419118 /nfs/dbraw/zinc/41/91/18/179419118.db2.gz DPHUQSYEGUIUHP-GFCCVEGCSA-N 1 0 299.212 2.235 10 0 CEAERO CCC[C@@H](C[NH3+])NC(=O)c1ccc(Cl)cc1F ZINC000087387751 179419215 /nfs/dbraw/zinc/41/92/15/179419215.db2.gz AQNISVILMQUGEH-VIFPVBQESA-N 1 0 258.724 2.336 10 0 CEAERO CCC[C@H](C[NH3+])NC(=O)CCCc1cccs1 ZINC000087387738 179419216 /nfs/dbraw/zinc/41/92/16/179419216.db2.gz VWISPEULSBESRP-LLVKDONJSA-N 1 0 254.399 2.314 10 0 CEAERO CCCN(C(=O)c1csc(C)n1)C1CC[NH2+]CC1 ZINC000087428896 179425183 /nfs/dbraw/zinc/42/51/83/179425183.db2.gz XOQTYHPVVAKKML-UHFFFAOYSA-N 1 0 267.398 2.056 10 0 CEAERO Cc1ccc(CNC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2CCCO2)cc1 ZINC000248580110 539637957 /nfs/dbraw/zinc/63/79/57/539637957.db2.gz IGQPLFKQSPYWJZ-OFQRWUPVSA-N 1 0 290.407 2.157 10 0 CEAERO CCCc1nsc(N(CC)[C@@H]2CCC[NH2+]C2)n1 ZINC000087642694 179462239 /nfs/dbraw/zinc/46/22/39/179462239.db2.gz WPMLOALAWATGNA-SNVBAGLBSA-N 1 0 254.403 2.069 10 0 CEAERO CCN(c1nc(C(C)C)ns1)[C@@H]1CCC[NH2+]C1 ZINC000087642696 179462322 /nfs/dbraw/zinc/46/23/22/179462322.db2.gz FTSFFUYIJPCFBS-SNVBAGLBSA-N 1 0 254.403 2.240 10 0 CEAERO CCCc1nsc(N2CCC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000087642772 179462549 /nfs/dbraw/zinc/46/25/49/179462549.db2.gz HMSOZFXHHYCDFH-NXEZZACHSA-N 1 0 254.403 2.054 10 0 CEAERO CC(C)(C)[NH2+]C[C@H]1CCCCN1c1ncns1 ZINC000087643819 179462812 /nfs/dbraw/zinc/46/28/12/179462812.db2.gz PJCFPABIVQULIE-SNVBAGLBSA-N 1 0 254.403 2.285 10 0 CEAERO CCc1nsc(N[C@H](C[NH3+])Cc2ccccc2)n1 ZINC000087644410 179463669 /nfs/dbraw/zinc/46/36/69/179463669.db2.gz PLTRSXGXPOUYNH-NSHDSACASA-N 1 0 262.382 2.082 10 0 CEAERO CN(CCc1ccccn1)C(=O)CCC(C)(C)CC[NH3+] ZINC000087683643 179470326 /nfs/dbraw/zinc/47/03/26/179470326.db2.gz SIVQOGSBRUBCOM-UHFFFAOYSA-N 1 0 277.412 2.238 10 0 CEAERO Cc1c(NC(=O)[C@@H](C)CCC[C@@H](C)[NH3+])cccc1C(N)=O ZINC000087693648 179470963 /nfs/dbraw/zinc/47/09/63/179470963.db2.gz PBGDOATZZUFIKH-WDEREUQCSA-N 1 0 291.395 2.186 10 0 CEAERO CC(C)CCOCCNC(=O)[C@H](C)CCC[C@@H](C)[NH3+] ZINC000087700851 179472889 /nfs/dbraw/zinc/47/28/89/179472889.db2.gz SOGVRGLXIMXTHK-ZIAGYGMSSA-N 1 0 272.433 2.319 10 0 CEAERO C[C@H]([NH3+])CCC[C@H](C)C(=O)N(C)C[C@@H]1CCCOC1 ZINC000087702864 179473653 /nfs/dbraw/zinc/47/36/53/179473653.db2.gz UPGFRSLFIFMQLN-IHRRRGAJSA-N 1 0 270.417 2.025 10 0 CEAERO CCC[NH2+]Cc1c(C)nc(C2CCOCC2)nc1C ZINC000087812374 179490406 /nfs/dbraw/zinc/49/04/06/179490406.db2.gz LYJJOGWEMZYWSK-UHFFFAOYSA-N 1 0 263.385 2.487 10 0 CEAERO CC[NH2+]CCOCCc1cc(OC)c(OC)cc1C ZINC000087730924 179479315 /nfs/dbraw/zinc/47/93/15/179479315.db2.gz SDHIHXUGTTYDRM-UHFFFAOYSA-N 1 0 267.369 2.181 10 0 CEAERO CCC[NH2+]CCOCCc1ccc(OC)cc1F ZINC000087730897 179479370 /nfs/dbraw/zinc/47/93/70/179479370.db2.gz ZEDLXEAKMCVEOU-UHFFFAOYSA-N 1 0 255.333 2.393 10 0 CEAERO CC[C@@H](c1nc(C2CCOCC2)no1)[C@@H](C)[NH2+]C ZINC000087812658 179490179 /nfs/dbraw/zinc/49/01/79/179490179.db2.gz GALXYSKQRXYBMX-MWLCHTKSSA-N 1 0 253.346 2.065 10 0 CEAERO CC[NH2+][C@H](Cc1ccn(C(C)C)n1)[C@H]1CCCO1 ZINC000087802643 179488119 /nfs/dbraw/zinc/48/81/19/179488119.db2.gz NOXAHSRQFMQLQA-ZIAGYGMSSA-N 1 0 251.374 2.164 10 0 CEAERO [NH3+][C@H](Cc1ccn(C2CCCCC2)n1)[C@@H]1CCCO1 ZINC000087802077 179488178 /nfs/dbraw/zinc/48/81/78/179488178.db2.gz RJYJCISQGGUXGL-CABCVRRESA-N 1 0 263.385 2.437 10 0 CEAERO CC(C)[C@H](C[NH3+])C(=O)N[C@H](C)Cc1c(F)cccc1F ZINC000087523399 179440342 /nfs/dbraw/zinc/44/03/42/179440342.db2.gz GTATVACNXZIUAH-PWSUYJOCSA-N 1 0 284.350 2.243 10 0 CEAERO CC[C@H](C[NH3+])C(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000087524939 179440757 /nfs/dbraw/zinc/44/07/57/179440757.db2.gz PRVFLOJYSHXJQB-WDEREUQCSA-N 1 0 252.333 2.330 10 0 CEAERO C[NH2+]C1(Cc2nnc3n2CCCCC3)CCCCC1 ZINC000087571397 179447517 /nfs/dbraw/zinc/44/75/17/179447517.db2.gz DTGDCHGXJNMKTH-UHFFFAOYSA-N 1 0 262.401 2.469 10 0 CEAERO CC(C)(CCCn1nnc(-c2ccccc2)n1)C(N)=[NH2+] ZINC000087610517 179454318 /nfs/dbraw/zinc/45/43/18/179454318.db2.gz DLDKXPYXCDFOKF-UHFFFAOYSA-N 1 0 272.356 2.082 10 0 CEAERO Nc1cccc([C@H]2C[NH2+]CCN2Cc2ccccc2)c1 ZINC000616636410 348541887 /nfs/dbraw/zinc/54/18/87/348541887.db2.gz MQKLCNZIIODBLL-QGZVFWFLSA-N 1 0 267.376 2.415 10 0 CEAERO CC(=O)Nc1ccc([C@@H]2C[N@@H+](C(C)(C)C)CCN2)cc1 ZINC000616634503 348541906 /nfs/dbraw/zinc/54/19/06/348541906.db2.gz UNTDBSDFKLOXSC-HNNXBMFYSA-N 1 0 275.396 2.390 10 0 CEAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@H]1c1ccc(CO)cc1 ZINC000616635138 348542302 /nfs/dbraw/zinc/54/23/02/348542302.db2.gz BSPHFMQIVMAUFW-AWEZNQCLSA-N 1 0 292.379 2.060 10 0 CEAERO CCOC(=O)N1CC[NH2+]C[C@@H]1c1ccc(Cl)cc1 ZINC000616637849 348543039 /nfs/dbraw/zinc/54/30/39/348543039.db2.gz ZLYOUSSUGIZKLA-GFCCVEGCSA-N 1 0 268.744 2.443 10 0 CEAERO c1ccc(C[N@@H+]2CCOC[C@@H](Nc3ccccn3)C2)cc1 ZINC000616660736 348552081 /nfs/dbraw/zinc/55/20/81/348552081.db2.gz OGEMVHDKSGYZLR-INIZCTEOSA-N 1 0 283.375 2.395 10 0 CEAERO CC(C)(C)[N@@H+]1CCCOC[C@@H]1c1ccccc1C(N)=O ZINC000616646098 348545920 /nfs/dbraw/zinc/54/59/20/348545920.db2.gz NWYZFTSAOHHDPX-CQSZACIVSA-N 1 0 276.380 2.347 10 0 CEAERO CC[N@@H+]1CCCOC[C@H]1c1ccc2nnccc2c1 ZINC000616648312 348546952 /nfs/dbraw/zinc/54/69/52/348546952.db2.gz DXERDNWCTFCYCO-HNNXBMFYSA-N 1 0 257.337 2.413 10 0 CEAERO CCOC(=O)c1ccc([C@@H]2COCCC[N@@H+]2C)cc1 ZINC000616649577 348547253 /nfs/dbraw/zinc/54/72/53/348547253.db2.gz LOSHHPPWFXTWIE-AWEZNQCLSA-N 1 0 263.337 2.257 10 0 CEAERO CC[C@H](C)n1ccc(C[C@@]2(C[NH3+])CCCC[C@@H]2O)n1 ZINC000087931443 179525911 /nfs/dbraw/zinc/52/59/11/179525911.db2.gz MCUMIBGXXBTPLO-AEGPPILISA-N 1 0 265.401 2.277 10 0 CEAERO Cc1nn(C)c(C[C@H]2CCC[C@H]2C[NH3+])c1Br ZINC000087940636 179528160 /nfs/dbraw/zinc/52/81/60/179528160.db2.gz LJAYDNQFYXJOPJ-ZJUUUORDSA-N 1 0 286.217 2.409 10 0 CEAERO CC[C@H](c1nc(C2CCOCC2)no1)[C@@H](C)[NH2+]C ZINC000087812659 179490501 /nfs/dbraw/zinc/49/05/01/179490501.db2.gz GALXYSKQRXYBMX-KOLCDFICSA-N 1 0 253.346 2.065 10 0 CEAERO [NH3+]CCc1cccc(-c2nc([C@@H]3CCCOC3)no2)c1 ZINC000087813268 179490507 /nfs/dbraw/zinc/49/05/07/179490507.db2.gz SZWPSLQCVKXNTK-CYBMUJFWSA-N 1 0 273.336 2.132 10 0 CEAERO O=C(N[C@@H]1C[NH2+]CC[C@H]1c1ccccc1)C1CCC1 ZINC000616569869 348523419 /nfs/dbraw/zinc/52/34/19/348523419.db2.gz KVWZSCYVJOEPPB-LSDHHAIUSA-N 1 0 258.365 2.048 10 0 CEAERO CC[NH2+][C@@H](Cc1c(F)cccc1Cl)[C@@H]1COCCO1 ZINC000087858106 179503208 /nfs/dbraw/zinc/50/32/08/179503208.db2.gz FEMKSZZMKSPEJF-KBPBESRZSA-N 1 0 287.762 2.415 10 0 CEAERO COCCC[NH2+]Cc1cc2c(cc1Cl)OCO2 ZINC000616575535 348524786 /nfs/dbraw/zinc/52/47/86/348524786.db2.gz AUUQEBHNSLZEIK-UHFFFAOYSA-N 1 0 257.717 2.195 10 0 CEAERO COC(=O)[C@]1(c2ccc(Cl)c(Cl)c2)CC[NH2+]C1 ZINC000616574732 348525058 /nfs/dbraw/zinc/52/50/58/348525058.db2.gz XBYLLSXBKXWFPO-GFCCVEGCSA-N 1 0 274.147 2.398 10 0 CEAERO NNc1cc(NCc2ccccc2Br)nc[nH+]1 ZINC000087864113 179504904 /nfs/dbraw/zinc/50/49/04/179504904.db2.gz IXSIVXSTALALLF-UHFFFAOYSA-N 1 0 294.156 2.137 10 0 CEAERO CCCCCN(c1nc(NN)[nH+]cc1F)C(C)C ZINC000087866670 179505426 /nfs/dbraw/zinc/50/54/26/179505426.db2.gz AXYICLPZJYWPSE-UHFFFAOYSA-N 1 0 255.341 2.306 10 0 CEAERO CC[N@@H+]1CCO[C@@H](c2ccc3nnccc3c2)CC1 ZINC000616595238 348528356 /nfs/dbraw/zinc/52/83/56/348528356.db2.gz VCLBFPIZFJKGDJ-OAHLLOKOSA-N 1 0 257.337 2.413 10 0 CEAERO CC(C)c1c(NCCC(F)(F)F)nc[nH+]c1NN ZINC000087876421 179507715 /nfs/dbraw/zinc/50/77/15/179507715.db2.gz VKXBQOHYOULPJN-UHFFFAOYSA-N 1 0 263.267 2.250 10 0 CEAERO CC[N@@H+]1CCCOC[C@@H]1c1cccc2nnccc21 ZINC000616599710 348529959 /nfs/dbraw/zinc/52/99/59/348529959.db2.gz NZXYPJOTHBNGLS-OAHLLOKOSA-N 1 0 257.337 2.413 10 0 CEAERO CCOC(=O)c1ccccc1[C@@H]1CCC[N@H+](CCO)CC1 ZINC000616602309 348531169 /nfs/dbraw/zinc/53/11/69/348531169.db2.gz XKBFFZFWIARXSG-CQSZACIVSA-N 1 0 291.391 2.425 10 0 CEAERO OCC[N@@H+]1CCCC[C@@H]1c1cccc2ccnnc21 ZINC000616614518 348534923 /nfs/dbraw/zinc/53/49/23/348534923.db2.gz TUQPYQMRCCKYMB-CQSZACIVSA-N 1 0 257.337 2.149 10 0 CEAERO CC(=O)Nc1cccc([C@@H]2CCCCN2CC[NH3+])c1 ZINC000616616104 348535168 /nfs/dbraw/zinc/53/51/68/348535168.db2.gz HDQAZWYTGXTMAY-HNNXBMFYSA-N 1 0 261.369 2.131 10 0 CEAERO CCc1ccsc1CNc1cc(NN)[nH+]c(C)n1 ZINC000087895421 179515807 /nfs/dbraw/zinc/51/58/07/179515807.db2.gz HMJVJXPZULARTD-UHFFFAOYSA-N 1 0 263.370 2.307 10 0 CEAERO CSc1nc(NCc2cscc2C)cc(NN)[nH+]1 ZINC000087895506 179515890 /nfs/dbraw/zinc/51/58/90/179515890.db2.gz JLSAQYDLOWQCFR-UHFFFAOYSA-N 1 0 281.410 2.466 10 0 CEAERO Cc1nc(NCc2ccc(Cl)cc2)cc(NN)[nH+]1 ZINC000087897822 179516067 /nfs/dbraw/zinc/51/60/67/179516067.db2.gz GYMWUSIZFKAVOO-UHFFFAOYSA-N 1 0 263.732 2.336 10 0 CEAERO C[C@H](C[NH3+])[S@](=O)Cc1cc(Br)ccc1F ZINC000088068066 179544147 /nfs/dbraw/zinc/54/41/47/179544147.db2.gz URSBONGHGAGGNG-MLXNANBUSA-N 1 0 294.189 2.184 10 0 CEAERO C[C@@H]([NH3+])CC[S@@](=O)Cc1c(F)cccc1Cl ZINC000088075678 179544763 /nfs/dbraw/zinc/54/47/63/179544763.db2.gz JCLZQQJPDPZXDQ-BCTVWOGZSA-N 1 0 263.765 2.465 10 0 CEAERO CC[NH2+]CCc1nnc(-c2c(F)cccc2OC)o1 ZINC000088081793 179545974 /nfs/dbraw/zinc/54/59/74/179545974.db2.gz AYPRTJXUTPEAKU-UHFFFAOYSA-N 1 0 265.288 2.036 10 0 CEAERO C[C@@H](C[NH3+])C[S@@](=O)Cc1ccc(Br)s1 ZINC000088089798 179547471 /nfs/dbraw/zinc/54/74/71/179547471.db2.gz ILEBAVIJUPWWNE-WJWGPLDTSA-N 1 0 296.255 2.354 10 0 CEAERO CCNC(=O)CCOc1cccc2c1CCC[C@@H]2[NH2+]C ZINC000088151641 179557775 /nfs/dbraw/zinc/55/77/75/179557775.db2.gz JUCCRLSBTIEWSN-AWEZNQCLSA-N 1 0 276.380 2.188 10 0 CEAERO OCCc1ccccc1[C@@H]1[NH2+]CCc2ccccc21 ZINC000616677234 348557318 /nfs/dbraw/zinc/55/73/18/348557318.db2.gz XJMKZCCWAZXNKV-QGZVFWFLSA-N 1 0 253.345 2.457 10 0 CEAERO OCC[N@@H+]1CCc2ccccc2[C@H]1c1ccc(CO)cc1 ZINC000616679295 348558177 /nfs/dbraw/zinc/55/81/77/348558177.db2.gz RDTHWNPPTAMTAN-GOSISDBHSA-N 1 0 283.371 2.119 10 0 CEAERO [NH3+]CCN1CCc2ccccc2[C@@H]1c1ccc(CO)cc1 ZINC000616691087 348562298 /nfs/dbraw/zinc/56/22/98/348562298.db2.gz GNGOQVIEMKVDGU-SFHVURJKSA-N 1 0 282.387 2.085 10 0 CEAERO CC[NH2+]C[C@@]1(CN2CCC(C(F)(F)F)CC2)CCOC1 ZINC000088436761 179601450 /nfs/dbraw/zinc/60/14/50/179601450.db2.gz WBNAMZGKLFEXLR-CYBMUJFWSA-N 1 0 294.361 2.277 10 0 CEAERO CC1CCC(N(C)C(=O)[C@H]2C[NH2+]C[C@H](C)C2)CC1 ZINC000088450180 179605740 /nfs/dbraw/zinc/60/57/40/179605740.db2.gz KIZULFSPHFGPKF-CEUNDQEZSA-N 1 0 252.402 2.269 10 0 CEAERO CC(C)C[C@@H](C[NH3+])CC(=O)N(C)Cc1ccoc1 ZINC000088278168 179575077 /nfs/dbraw/zinc/57/50/77/179575077.db2.gz RWCFSWJZKXBBCK-CYBMUJFWSA-N 1 0 252.358 2.249 10 0 CEAERO O=C(C[C@H]1C=CCC1)N1CC[NH2+]CC12CCCCC2 ZINC000088396065 179591409 /nfs/dbraw/zinc/59/14/09/179591409.db2.gz YSRXITXLAHSPAO-AWEZNQCLSA-N 1 0 262.397 2.477 10 0 CEAERO COCc1ccc([C@@H](O)Cc2c[nH+]ccc2N)cc1 ZINC000088569834 179627647 /nfs/dbraw/zinc/62/76/47/179627647.db2.gz UCZJFGHNBPQWCD-HNNXBMFYSA-N 1 0 258.321 2.086 10 0 CEAERO CC(C)[C@H]1CC[C@@H](C)C[C@@]1([NH3+])Cc1ncnn1C ZINC000088581251 179628719 /nfs/dbraw/zinc/62/87/19/179628719.db2.gz BSRLDYYXZBWZCL-YRGRVCCFSA-N 1 0 250.390 2.147 10 0 CEAERO C[C@@H]1CC[C@H](C)CN1C(=O)COc1ccc(C[NH3+])cc1 ZINC000088701812 179652336 /nfs/dbraw/zinc/65/23/36/179652336.db2.gz RJJUXJUPKOUPJP-QWHCGFSZSA-N 1 0 276.380 2.171 10 0 CEAERO C[NH2+][C@@H](Cc1ncnn1CC(C)C)c1ccccc1 ZINC000088610629 179637830 /nfs/dbraw/zinc/63/78/30/179637830.db2.gz ABGXGSRGTJVJSL-AWEZNQCLSA-N 1 0 258.369 2.437 10 0 CEAERO CC(C)n1ncnc1C[C@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC000088611059 179638481 /nfs/dbraw/zinc/63/84/81/179638481.db2.gz OHTRYSSUIFLVGI-CYBMUJFWSA-N 1 0 280.322 2.250 10 0 CEAERO C[C@@H]1CC[C@H](C)N(C(=O)c2cccc(CC[NH3+])c2)C1 ZINC000088701888 179652494 /nfs/dbraw/zinc/65/24/94/179652494.db2.gz XBAGICXAHNIWTD-OLZOCXBDSA-N 1 0 260.381 2.448 10 0 CEAERO CCCn1ncnc1C[C@@H]([NH3+])C1(c2ccccc2)CC1 ZINC000088612112 179639364 /nfs/dbraw/zinc/63/93/64/179639364.db2.gz VZEJSLWLFHIZOZ-CQSZACIVSA-N 1 0 270.380 2.290 10 0 CEAERO CCCn1ncnc1CN1C[C@H](C)[NH2+]CC1(CC)CC ZINC000088625065 179642013 /nfs/dbraw/zinc/64/20/13/179642013.db2.gz YCXCKHZFGNFQQO-ZDUSSCGKSA-N 1 0 279.432 2.041 10 0 CEAERO C[C@@H]1CC[C@H](C)N(S(=O)(=O)Cc2cccc(C[NH3+])c2)C1 ZINC000088704741 179652981 /nfs/dbraw/zinc/65/29/81/179652981.db2.gz FOUPRQSAYHSDCT-OLZOCXBDSA-N 1 0 296.436 2.096 10 0 CEAERO CCC[NH2+]C[C@@H]1CCCO[C@H]1c1cnn(CC)c1 ZINC000233087822 539662713 /nfs/dbraw/zinc/66/27/13/539662713.db2.gz AVRMKRJEHUEEEI-GXTWGEPZSA-N 1 0 251.374 2.370 10 0 CEAERO C[C@@H]1CCCCC[C@H]1NC(=O)CC1CC[NH2+]CC1 ZINC000088514772 179616255 /nfs/dbraw/zinc/61/62/55/179616255.db2.gz MPJAJPYWJLGRAI-TZMCWYRMSA-N 1 0 252.402 2.461 10 0 CEAERO CCC1CCC(CNC(=O)[C@H]2C[NH2+]C[C@@H]2C)CC1 ZINC000104213167 185932600 /nfs/dbraw/zinc/93/26/00/185932600.db2.gz WASJJEQHFZKTSA-ABXWRUBCSA-N 1 0 252.402 2.175 10 0 CEAERO CC(C)(C)NS(=O)(=O)c1ccc(CC[NH2+]C2CC2)cc1 ZINC000088976265 179687913 /nfs/dbraw/zinc/68/79/13/179687913.db2.gz ZUTVGBMDNBANEJ-UHFFFAOYSA-N 1 0 296.436 2.058 10 0 CEAERO C[NH2+]Cc1cccc(CS(=O)(=O)NC2CCCCC2)c1 ZINC000088975080 179688030 /nfs/dbraw/zinc/68/80/30/179688030.db2.gz ZQYPSNUVPFVHQD-UHFFFAOYSA-N 1 0 296.436 2.158 10 0 CEAERO C[NH2+]CCCc1ccc(S(=O)(=O)NCC(C)(C)C)cc1 ZINC000088985761 179690329 /nfs/dbraw/zinc/69/03/29/179690329.db2.gz YFANPLTWYDYFFI-UHFFFAOYSA-N 1 0 298.452 2.163 10 0 CEAERO CC[NH2+]Cc1ccc(C)c(S(=O)(=O)N2CC[C@H](C)C2)c1 ZINC000088986643 179690381 /nfs/dbraw/zinc/69/03/81/179690381.db2.gz KAHYESBRDCOXGF-LBPRGKRZSA-N 1 0 296.436 2.135 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)[C@H]2CCC[NH2+]2)cc1F ZINC000088252770 539668967 /nfs/dbraw/zinc/66/89/67/539668967.db2.gz KXDAGOPJCAISIV-ZWNOBZJWSA-N 1 0 250.317 2.063 10 0 CEAERO C(C[NH2+]C1CC1)Cc1nnc(CC[C@@H]2CCCO2)s1 ZINC000088812701 179677123 /nfs/dbraw/zinc/67/71/23/179677123.db2.gz KXPBLYVYRFMSCX-LBPRGKRZSA-N 1 0 281.425 2.334 10 0 CEAERO C[C@@H](CC[NH2+][C@@H]1C=CS(=O)(=O)C1)c1ccccc1 ZINC000088854440 179684076 /nfs/dbraw/zinc/68/40/76/179684076.db2.gz YCXYHNQYBPUTNS-GXTWGEPZSA-N 1 0 265.378 2.081 10 0 CEAERO CCC[C@@]1(c2nc3cnccc3n2CC)CC[NH2+]C1 ZINC000088864852 179684988 /nfs/dbraw/zinc/68/49/88/179684988.db2.gz FIZYESKRYXMBFN-OAHLLOKOSA-N 1 0 258.369 2.482 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc(Cl)c1F ZINC000104228675 185936747 /nfs/dbraw/zinc/93/67/47/185936747.db2.gz AZMFBTGEDNWBNV-YUMQZZPRSA-N 1 0 256.708 2.273 10 0 CEAERO CCC[C@@H]1CN(CCOC(F)(F)F)C(C)(C)C[NH2+]1 ZINC000089056933 179695023 /nfs/dbraw/zinc/69/50/23/179695023.db2.gz VRGGVBLHGBJSRA-SNVBAGLBSA-N 1 0 268.323 2.375 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C1(c2ccccc2)CC1 ZINC000089106748 179702170 /nfs/dbraw/zinc/70/21/70/179702170.db2.gz QWGZCJFUPFNDDX-ZFWWWQNUSA-N 1 0 272.392 2.352 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1N1C(=O)CC2(CCCC2)CC1=O ZINC000089109149 179704597 /nfs/dbraw/zinc/70/45/97/179704597.db2.gz BNUJPWAOPCKILB-STQMWFEESA-N 1 0 278.396 2.213 10 0 CEAERO Cc1cccc(OCCC(=O)N(C)[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089110358 179705338 /nfs/dbraw/zinc/70/53/38/179705338.db2.gz FLIICNROQGHGCL-GDBMZVCRSA-N 1 0 290.407 2.350 10 0 CEAERO CN(C(=O)Nc1ccccc1F)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089111355 179706229 /nfs/dbraw/zinc/70/62/29/179706229.db2.gz AACVNMTWHQCLMP-ZWNOBZJWSA-N 1 0 265.332 2.417 10 0 CEAERO CCC[NH2+]CCCS(=O)(=O)NC(CC)(CC)CC ZINC000089049366 179693404 /nfs/dbraw/zinc/69/34/04/179693404.db2.gz YTGYISKQIXRTFC-UHFFFAOYSA-N 1 0 278.462 2.264 10 0 CEAERO CNC(=O)Nc1ccc(N[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000089144165 179722403 /nfs/dbraw/zinc/72/24/03/179722403.db2.gz JUZDQBNNRSADKZ-SMDDNHRTSA-N 1 0 276.384 2.367 10 0 CEAERO C[C@@H](NCc1cnn(Cc2ccccc2)c1)[C@@H]1CC[NH2+]C1 ZINC000400440245 233178390 /nfs/dbraw/zinc/17/83/90/233178390.db2.gz MFCTZYWUHDVTRK-RHSMWYFYSA-N 1 0 284.407 2.019 10 0 CEAERO C[C@H](NCc1ccn(Cc2ccccc2)n1)[C@H]1CC[NH2+]C1 ZINC000400509572 233179799 /nfs/dbraw/zinc/17/97/99/233179799.db2.gz FEKAPIUSMXMSHP-HOCLYGCPSA-N 1 0 284.407 2.019 10 0 CEAERO CCC[NH2+][C@H](Cc1c(Cl)c(C)nn1C)c1ccncn1 ZINC000089251757 179760501 /nfs/dbraw/zinc/76/05/01/179760501.db2.gz URFUCWMPCADAKY-GFCCVEGCSA-N 1 0 293.802 2.455 10 0 CEAERO CC[NH2+][C@H](CSCC)Cc1cc(CC)nn1C ZINC000089198645 179751725 /nfs/dbraw/zinc/75/17/25/179751725.db2.gz PMTBIBPRTFTBNP-LBPRGKRZSA-N 1 0 255.431 2.256 10 0 CEAERO Cc1ccc(CN(C)C(=O)[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089450122 539715936 /nfs/dbraw/zinc/71/59/36/539715936.db2.gz JXWUTUXPHPBAJR-LSDHHAIUSA-N 1 0 260.381 2.328 10 0 CEAERO COc1cc(C)c(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])cc1OC ZINC000089452877 539716719 /nfs/dbraw/zinc/71/67/19/539716719.db2.gz KADOJPZDAJQQCP-NEPJUHHUSA-N 1 0 292.379 2.326 10 0 CEAERO Cc1cc(C[C@@H](C[NH3+])Cc2ccc(F)cc2)n(C)n1 ZINC000089205476 179753542 /nfs/dbraw/zinc/75/35/42/179753542.db2.gz IMIJCWOLRJSVTE-ZDUSSCGKSA-N 1 0 261.344 2.228 10 0 CEAERO CCc1nn(C)c(CN2CC[NH2+]C3(CCCC3)C2)c1Cl ZINC000089346065 179771699 /nfs/dbraw/zinc/77/16/99/179771699.db2.gz UCZPXVRZQNWJTM-UHFFFAOYSA-N 1 0 296.846 2.354 10 0 CEAERO CCc1nn(CC)c(CN2C[C@@H](C)[NH2+][C@H](C)C2)c1Cl ZINC000089353485 179772343 /nfs/dbraw/zinc/77/23/43/179772343.db2.gz CHLCACQMOPZZGU-GHMZBOCLSA-N 1 0 284.835 2.301 10 0 CEAERO Cc1nc(CN2CC[NH2+]C[C@@H]2Cc2ccccc2)cs1 ZINC000089270255 179763426 /nfs/dbraw/zinc/76/34/26/179763426.db2.gz FJFOPSMVMAINTA-INIZCTEOSA-N 1 0 287.432 2.468 10 0 CEAERO CCn1nc(C)c(Cl)c1C[NH2+]C1(CO)CCCC1 ZINC000089277621 179763697 /nfs/dbraw/zinc/76/36/97/179763697.db2.gz YNKWGTHQHHKBME-UHFFFAOYSA-N 1 0 271.792 2.260 10 0 CEAERO CC(C)CN(C(=O)[C@H]1CCCC[C@@H]1C[NH3+])C1CC1 ZINC000089391257 179778837 /nfs/dbraw/zinc/77/88/37/179778837.db2.gz DYIFPBFPOINZOO-OCCSQVGLSA-N 1 0 252.402 2.399 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@H]1C(=O)N1CCOc2ccccc2C1 ZINC000089394817 179779248 /nfs/dbraw/zinc/77/92/48/179779248.db2.gz IPFFWLNKTICIGN-UKRRQHHQSA-N 1 0 288.391 2.173 10 0 CEAERO COc1ccccc1CN(C)C(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000089393409 179779463 /nfs/dbraw/zinc/77/94/63/179779463.db2.gz XHDSFBALFCZEAB-ZFWWWQNUSA-N 1 0 290.407 2.419 10 0 CEAERO CCN(CCc1ccccc1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089457030 179794504 /nfs/dbraw/zinc/79/45/04/179794504.db2.gz GUWYOXBCSOTSFF-HOTGVXAUSA-N 1 0 274.408 2.453 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccsc1 ZINC000089461829 179796422 /nfs/dbraw/zinc/79/64/22/179796422.db2.gz CUMRXXVDTSAYFB-HOSYDEDBSA-N 1 0 252.383 2.300 10 0 CEAERO CCS(=O)(=O)c1ccc(OC[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089538905 179814124 /nfs/dbraw/zinc/81/41/24/179814124.db2.gz YYSYMLNXLKERQZ-OLZOCXBDSA-N 1 0 297.420 2.234 10 0 CEAERO CC(C)(C)n1cc(C[NH2+]C[C@@H]2CCC[C@@H]2CO)cn1 ZINC000089494251 179802837 /nfs/dbraw/zinc/80/28/37/179802837.db2.gz WBKQZJLHWUWBMB-UONOGXRCSA-N 1 0 265.401 2.136 10 0 CEAERO CC1(C)Cc2nc([C@@H]3CCCOC3)ncc2[C@H]([NH3+])C1 ZINC000104315691 185964777 /nfs/dbraw/zinc/96/47/77/185964777.db2.gz GRJMBFNOUKILMM-ZYHUDNBSSA-N 1 0 261.369 2.343 10 0 CEAERO CCOc1ccccc1OCC[NH2+]C[C@@H]1CCC[C@H]1CO ZINC000089498597 179804480 /nfs/dbraw/zinc/80/44/80/179804480.db2.gz VDUNIOVKEMRBFQ-GJZGRUSLSA-N 1 0 293.407 2.462 10 0 CEAERO C[C@H](CS(C)(=O)=O)[NH2+][C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000089632587 179834141 /nfs/dbraw/zinc/83/41/41/179834141.db2.gz PEUNXHSBGVNOLA-GFQSEFKGSA-N 1 0 273.442 2.224 10 0 CEAERO CC(C)C1([NH3+])CN(c2ccc(C(F)(F)F)cn2)C1 ZINC000089665267 179843971 /nfs/dbraw/zinc/84/39/71/179843971.db2.gz PPUCAQSIMOOBAS-UHFFFAOYSA-N 1 0 259.275 2.274 10 0 CEAERO C[C@H](NC(=O)C[C@@H]1CC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000089741917 539730474 /nfs/dbraw/zinc/73/04/74/539730474.db2.gz XAMULGHKOMBONY-UWVGGRQHSA-N 1 0 268.307 2.142 10 0 CEAERO CCOc1ccc([C@H]([NH3+])CSCCCO)cc1 ZINC000090119642 179916617 /nfs/dbraw/zinc/91/66/17/179916617.db2.gz TVADVVLYYICTRB-CYBMUJFWSA-N 1 0 255.383 2.201 10 0 CEAERO CCN1CCO[C@H](C[NH2+]Cc2ccc(Cl)c(OC)c2)C1 ZINC000623408186 350011075 /nfs/dbraw/zinc/01/10/75/350011075.db2.gz MJSONWRIWCHEQY-CYBMUJFWSA-N 1 0 298.814 2.159 10 0 CEAERO COCc1cc(CN2CCC(C[NH2+]C(C)(C)C)CC2)no1 ZINC000090255651 179940963 /nfs/dbraw/zinc/94/09/63/179940963.db2.gz ROURWWQAOOXNKY-UHFFFAOYSA-N 1 0 295.427 2.421 10 0 CEAERO CCc1ccsc1C(=O)N1C[C@@H]2C[NH2+]C[C@@H]2C1(C)C ZINC000090335707 179964991 /nfs/dbraw/zinc/96/49/91/179964991.db2.gz YZYNYRKRQRTKSM-RYUDHWBXSA-N 1 0 278.421 2.381 10 0 CEAERO CC1(C)[C@H]2C[NH2+]C[C@H]2CN1C(=O)c1ccc(F)c(F)c1 ZINC000090336186 179965198 /nfs/dbraw/zinc/96/51/98/179965198.db2.gz OMSXSQWOCBBOOM-QWRGUYRKSA-N 1 0 280.318 2.035 10 0 CEAERO CC1(C)[C@H]2C[NH2+]C[C@H]2CN1C(=O)c1cc(F)ccc1F ZINC000090335974 179965237 /nfs/dbraw/zinc/96/52/37/179965237.db2.gz VYHBTBJMHMHRGU-CABZTGNLSA-N 1 0 280.318 2.035 10 0 CEAERO C[C@H]([NH3+])CCSCC(=O)Nc1cc(F)ccc1F ZINC000090346352 179970895 /nfs/dbraw/zinc/97/08/95/179970895.db2.gz CBRLYGLJSDZLNJ-QMMMGPOBSA-N 1 0 274.336 2.374 10 0 CEAERO COC(=O)[C@H](CS[C@@H](C)CC[NH3+])c1ccccc1 ZINC000090353093 179972651 /nfs/dbraw/zinc/97/26/51/179972651.db2.gz YWKXFAMTKPFVCX-WCQYABFASA-N 1 0 267.394 2.414 10 0 CEAERO CCOc1ccccc1NC(=O)CSC[C@@H]([NH3+])CC ZINC000090357006 179976017 /nfs/dbraw/zinc/97/60/17/179976017.db2.gz BDVKIJWXTUDWOW-NSHDSACASA-N 1 0 282.409 2.494 10 0 CEAERO CC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1c(C)cccc1CC ZINC000090487044 179991299 /nfs/dbraw/zinc/99/12/99/179991299.db2.gz YZVGRZUJJKGOKC-ZIAGYGMSSA-N 1 0 276.380 2.120 10 0 CEAERO CC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000090488355 179991540 /nfs/dbraw/zinc/99/15/40/179991540.db2.gz KDGQGOPBFUDHRK-CABZTGNLSA-N 1 0 286.734 2.042 10 0 CEAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000623765093 350106328 /nfs/dbraw/zinc/10/63/28/350106328.db2.gz NPZYCSYXQZWLEL-HOTGVXAUSA-N 1 0 257.333 2.079 10 0 CEAERO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCOC[C@@H]1O ZINC000623767208 350107582 /nfs/dbraw/zinc/10/75/82/350107582.db2.gz RXPANMCXSIPCQG-SWHYSGLUSA-N 1 0 269.772 2.010 10 0 CEAERO CC[NH2+][C@H]1COC[C@@H]1CN1CCCCc2ccccc21 ZINC000090495721 179993845 /nfs/dbraw/zinc/99/38/45/179993845.db2.gz UXCKBORPKWBFBS-HOTGVXAUSA-N 1 0 274.408 2.454 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1c1nc2c(cccc2F)[nH]1 ZINC000090526981 179997958 /nfs/dbraw/zinc/99/79/58/179997958.db2.gz DXIWENSSCAOCTE-CABZTGNLSA-N 1 0 263.316 2.184 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)NC1CCC(CCC)CC1 ZINC000090543895 180000884 /nfs/dbraw/zinc/00/08/84/180000884.db2.gz WYEJTUGYOKTVPP-QDIHITRGSA-N 1 0 296.455 2.476 10 0 CEAERO C[C@@]1(c2nc(-c3ccc(F)c(Cl)c3)no2)COC[C@@H]1[NH3+] ZINC000090573818 180008028 /nfs/dbraw/zinc/00/80/28/180008028.db2.gz ZDJISRPMUJKEGM-GXFFZTMASA-N 1 0 297.717 2.144 10 0 CEAERO CC(C)(C)c1ccc(NC(=O)[C@]2(C)COC[C@H]2[NH3+])cc1 ZINC000090580335 180008603 /nfs/dbraw/zinc/00/86/03/180008603.db2.gz KYLHPDZVCJSDRX-CZUORRHYSA-N 1 0 276.380 2.286 10 0 CEAERO Cc1ccc(-c2nnc(CSCC3C[NH2+]C3)o2)cc1 ZINC000090712256 180028798 /nfs/dbraw/zinc/02/87/98/180028798.db2.gz FIPSXCOZXPDMCX-UHFFFAOYSA-N 1 0 275.377 2.498 10 0 CEAERO CC[C@H](NC(=O)[C@@]1(C)COC[C@@H]1[NH3+])c1ccc(Cl)cc1 ZINC000090586539 180009619 /nfs/dbraw/zinc/00/96/19/180009619.db2.gz DXAATAIZTYNILH-YDHLFZDLSA-N 1 0 296.798 2.271 10 0 CEAERO O=C(Nn1ccc2cc(Cl)ccc21)[C@H]1CCC[NH2+]C1 ZINC000090624466 180015149 /nfs/dbraw/zinc/01/51/49/180015149.db2.gz ACIJFNMHGPREQS-NSHDSACASA-N 1 0 277.755 2.364 10 0 CEAERO C[C@]1(c2ccccc2)OC[C@@H](CSCC2C[NH2+]C2)O1 ZINC000090712151 180028913 /nfs/dbraw/zinc/02/89/13/180028913.db2.gz GPCXZFNZZIBDSK-GJZGRUSLSA-N 1 0 279.405 2.227 10 0 CEAERO CCC1CCC([N@H+](C)[C@@H](CN)CC(OC)OC)CC1 ZINC000090625187 180016015 /nfs/dbraw/zinc/01/60/15/180016015.db2.gz BVJVBENIURDVQN-JXQTWKCFSA-N 1 0 272.433 2.223 10 0 CEAERO COCc1ccc(C[NH2+]C[C@@H](C)N2CCCC2)cc1 ZINC000090714340 180028934 /nfs/dbraw/zinc/02/89/34/180028934.db2.gz GPCYTDNYHVVUBI-CQSZACIVSA-N 1 0 262.397 2.407 10 0 CEAERO C[C@@H](OC[C@H]([NH3+])c1ccc2c(c1)OCO2)C(F)(F)F ZINC000090672241 180020846 /nfs/dbraw/zinc/02/08/46/180020846.db2.gz XQMRDBFBKIRLEX-APPZFPTMSA-N 1 0 277.242 2.383 10 0 CEAERO CC(C)[NH2+][C@](CO)(CO[C@@H](C)C(F)(F)F)C1CC1 ZINC000090676031 180022666 /nfs/dbraw/zinc/02/26/66/180022666.db2.gz NULCCLKCJIIINY-GXSJLCMTSA-N 1 0 269.307 2.093 10 0 CEAERO C[NH2+][C@@H](c1cnccc1C)[C@@H]1COc2ccccc2O1 ZINC000090710178 180027790 /nfs/dbraw/zinc/02/77/90/180027790.db2.gz WLJRONVJZXMGOW-HOTGVXAUSA-N 1 0 270.332 2.491 10 0 CEAERO COc1cc(N(CCC[NH3+])c2ccc(C)cc2)ncn1 ZINC000090783526 180039542 /nfs/dbraw/zinc/03/95/42/180039542.db2.gz OHKGEYIRKVLVCR-UHFFFAOYSA-N 1 0 272.352 2.281 10 0 CEAERO COc1cc(N(CCC[NH3+])c2ccccc2C)ncn1 ZINC000090783528 180039621 /nfs/dbraw/zinc/03/96/21/180039621.db2.gz ZUNNMVDDPGOYQY-UHFFFAOYSA-N 1 0 272.352 2.281 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1CNc1ncncc1Br ZINC000090783226 180039657 /nfs/dbraw/zinc/03/96/57/180039657.db2.gz BVTMGLRZDRVTKW-VHSXEESVSA-N 1 0 299.216 2.416 10 0 CEAERO CC(C)Oc1cc(N[C@H]2CCCCC[C@@H]2[NH3+])ncn1 ZINC000090786109 180040229 /nfs/dbraw/zinc/04/02/29/180040229.db2.gz DFYQUYYTGWTBQS-RYUDHWBXSA-N 1 0 264.373 2.336 10 0 CEAERO CCCOc1cc(N2CCC[C@@H]2C[NH2+]C(C)C)ncn1 ZINC000090785444 180040254 /nfs/dbraw/zinc/04/02/54/180040254.db2.gz MGLMDWJJIGLZQO-CYBMUJFWSA-N 1 0 278.400 2.232 10 0 CEAERO CCC(CC)(C[NH3+])Nc1cc(OC(C)C)ncn1 ZINC000090786141 180040674 /nfs/dbraw/zinc/04/06/74/180040674.db2.gz PJYVMEMPIAMVGU-UHFFFAOYSA-N 1 0 252.362 2.193 10 0 CEAERO CCCN(c1cc(OC(C)C)ncn1)[C@@H]1CCC[NH2+]C1 ZINC000090786134 180040812 /nfs/dbraw/zinc/04/08/12/180040812.db2.gz LUVGBEXBARDLRD-CYBMUJFWSA-N 1 0 278.400 2.232 10 0 CEAERO CCOc1cc(O[C@H]2CCCC[C@H]2C[NH3+])nc(C)n1 ZINC000090788105 180041350 /nfs/dbraw/zinc/04/13/50/180041350.db2.gz CUGJLEYDYRWFGW-RYUDHWBXSA-N 1 0 265.357 2.080 10 0 CEAERO COc1ncnc(OCC2([NH3+])CCCCCC2)c1C ZINC000090789000 180041483 /nfs/dbraw/zinc/04/14/83/180041483.db2.gz YPBWQCRNGFDJFH-UHFFFAOYSA-N 1 0 265.357 2.224 10 0 CEAERO CCOc1ncnc(NC[C@H]2CCCC[N@@H+]2C)c1C ZINC000090791181 180042523 /nfs/dbraw/zinc/04/25/23/180042523.db2.gz DUNQBJKVRXVZKK-GFCCVEGCSA-N 1 0 264.373 2.080 10 0 CEAERO CS(=O)(=O)c1cccc(O[C@@H]2C[C@H]([NH3+])C23CCCC3)c1 ZINC000090862033 180047139 /nfs/dbraw/zinc/04/71/39/180047139.db2.gz NNMNUHKMARGFES-UONOGXRCSA-N 1 0 295.404 2.129 10 0 CEAERO CC[C@]1(C)[C@H]([NH2+]C)C[C@@H]1Oc1cccc(S(C)(=O)=O)c1 ZINC000090862063 180047361 /nfs/dbraw/zinc/04/73/61/180047361.db2.gz NCZDFUIJPQAQDO-QLFBSQMISA-N 1 0 297.420 2.246 10 0 CEAERO CC(C)C[NH2+]Cc1cccc(S[C@@H](C)C(N)=O)c1 ZINC000090873001 180050173 /nfs/dbraw/zinc/05/01/73/180050173.db2.gz QCTSNMJWBRXXLI-NSHDSACASA-N 1 0 266.410 2.398 10 0 CEAERO CCN(C[C@@H]1Cc2ccccc2O1)[C@@H]1CCC[NH2+]C1 ZINC000090876256 180050994 /nfs/dbraw/zinc/05/09/94/180050994.db2.gz NRHPJWGEWRLXCA-CABCVRRESA-N 1 0 260.381 2.064 10 0 CEAERO CN(C[C@@H]1Cc2ccccc2O1)c1cccc(C(N)=[NH2+])c1 ZINC000090875223 180051225 /nfs/dbraw/zinc/05/12/25/180051225.db2.gz XOGCUIOVBGLALS-HNNXBMFYSA-N 1 0 281.359 2.411 10 0 CEAERO CC[NH2+]C[C@]1(C[C@@H]2Cc3ccccc3O2)CCOC1 ZINC000090877310 180051908 /nfs/dbraw/zinc/05/19/08/180051908.db2.gz KQDKILNUWDPIJS-GOEBONIOSA-N 1 0 261.365 2.396 10 0 CEAERO CC(C)[NH2+]Cc1ccn(C[C@@H]2Cc3ccccc3O2)n1 ZINC000090877798 180051981 /nfs/dbraw/zinc/05/19/81/180051981.db2.gz DKOWEGYAIDLUKJ-HNNXBMFYSA-N 1 0 271.364 2.385 10 0 CEAERO Cc1c(C[NH2+]C2CC2)cnn1C[C@@H]1Cc2ccccc2O1 ZINC000090877748 180052009 /nfs/dbraw/zinc/05/20/09/180052009.db2.gz POXRQBJDOVSPGE-INIZCTEOSA-N 1 0 283.375 2.447 10 0 CEAERO C[C@]1(C2CC2)C[NH2+]CCN1C[C@@H]1Cc2ccccc2O1 ZINC000090878262 180052105 /nfs/dbraw/zinc/05/21/05/180052105.db2.gz HIZHDFWRVZGESP-DOTOQJQBSA-N 1 0 272.392 2.064 10 0 CEAERO CC(C)(C)[NH2+]Cc1cn(C[C@@H]2Cc3ccccc3O2)nn1 ZINC000090878896 180052177 /nfs/dbraw/zinc/05/21/77/180052177.db2.gz CKSUWPGJYFMVIN-AWEZNQCLSA-N 1 0 286.379 2.170 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@H](C)CN1C[C@@H]1Cc2ccccc2O1 ZINC000090878272 180052185 /nfs/dbraw/zinc/05/21/85/180052185.db2.gz ROAOYLVRZMYYOW-IMJJTQAJSA-N 1 0 274.408 2.453 10 0 CEAERO c1ccc2c(c1)C[C@@H](CN1CC[NH2+]CC13CCCC3)O2 ZINC000090878261 180052224 /nfs/dbraw/zinc/05/22/24/180052224.db2.gz DHXLBDJEZTUPPM-HNNXBMFYSA-N 1 0 272.392 2.208 10 0 CEAERO C[C@@H](Cn1cccn1)[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892337 180054319 /nfs/dbraw/zinc/05/43/19/180054319.db2.gz QJTTYBSAXFRLHM-FZMZJTMJSA-N 1 0 275.327 2.004 10 0 CEAERO COc1ccc(C[NH2+]C[C@H]2Cc3cc(F)ccc3O2)cn1 ZINC000090892748 180054748 /nfs/dbraw/zinc/05/47/48/180054748.db2.gz IWKLIHQPBMKGNE-CQSZACIVSA-N 1 0 288.322 2.323 10 0 CEAERO CC[N@H+](CCC(N)=S)C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893167 180055418 /nfs/dbraw/zinc/05/54/18/180055418.db2.gz UFHZCYDTZFUIAN-LBPRGKRZSA-N 1 0 282.384 2.127 10 0 CEAERO CC[C@H](C)[C@@H]1CN(C[C@@H]2Cc3cc(F)ccc3O2)CC[NH2+]1 ZINC000090896118 180055729 /nfs/dbraw/zinc/05/57/29/180055729.db2.gz CRVKNRYMWQULJB-RCBQFDQVSA-N 1 0 292.398 2.449 10 0 CEAERO CC[NH2+]Cc1cnn(C[C@H]2Cc3cc(F)ccc3O2)c1C ZINC000090895592 180055997 /nfs/dbraw/zinc/05/59/97/180055997.db2.gz RZOJYANDSJPNOI-OAHLLOKOSA-N 1 0 289.354 2.444 10 0 CEAERO CC(C)[C@@H]1C[NH2+]CCN1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090896127 180056049 /nfs/dbraw/zinc/05/60/49/180056049.db2.gz OUSWPZUYTBHZMD-GJZGRUSLSA-N 1 0 278.371 2.059 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](C[NH2+][C@H](CN(C)C)C(C)C)O2 ZINC000090897651 180056893 /nfs/dbraw/zinc/05/68/93/180056893.db2.gz NCSUGWIGIJOFGI-JKSUJKDBSA-N 1 0 276.424 2.474 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[NH2+]C[C@H]1CCCOC1)O2 ZINC000090897498 180057249 /nfs/dbraw/zinc/05/72/49/180057249.db2.gz DHJHANBZTLXCAU-UKRRQHHQSA-N 1 0 261.365 2.315 10 0 CEAERO CCCCN(CC[NH3+])C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090898941 180057784 /nfs/dbraw/zinc/05/77/84/180057784.db2.gz MMQWWVFUZWHMFQ-HNNXBMFYSA-N 1 0 262.397 2.359 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](CSc1nc(N)cc(N)[nH+]1)O2 ZINC000090898810 180058497 /nfs/dbraw/zinc/05/84/97/180058497.db2.gz VXJBIZAOCMHBOB-JTQLQIEISA-N 1 0 288.376 2.045 10 0 CEAERO C[NH2+][C@@H]1CCCN(C[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000090900089 180058630 /nfs/dbraw/zinc/05/86/30/180058630.db2.gz WTWSZXRFAMNPIK-KGLIPLIRSA-N 1 0 280.799 2.327 10 0 CEAERO OCC1CC[NH+](C[C@@H]2Cc3cc(Cl)ccc3O2)CC1 ZINC000090900920 180059315 /nfs/dbraw/zinc/05/93/15/180059315.db2.gz XYCMDHSPSREQKJ-AWEZNQCLSA-N 1 0 281.783 2.348 10 0 CEAERO CCc1ccccc1[C@H](C[NH3+])N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905683 180059730 /nfs/dbraw/zinc/05/97/30/180059730.db2.gz ZLESSXWOBQYLTD-LZWOXQAQSA-N 1 0 260.381 2.112 10 0 CEAERO Clc1ccc2c(c1)C[C@@H](C[NH2+][C@@H]1CCCOC1)O2 ZINC000090904802 180059828 /nfs/dbraw/zinc/05/98/28/180059828.db2.gz JDZFTCQNBAJKLA-OLZOCXBDSA-N 1 0 267.756 2.412 10 0 CEAERO COc1ccc([C@@H](C[NH3+])N2C[C@H]3CC[C@@H](C2)O3)cc1Cl ZINC000090905889 180061225 /nfs/dbraw/zinc/06/12/25/180061225.db2.gz QTWVDJQRGQLTBQ-MBNYWOFBSA-N 1 0 296.798 2.212 10 0 CEAERO CC(C)(C)[NH2+]Cc1csc(N2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000090908322 180061643 /nfs/dbraw/zinc/06/16/43/180061643.db2.gz JVNFKCQMTRXSLF-TXEJJXNPSA-N 1 0 281.425 2.399 10 0 CEAERO CC[NH2+]Cc1ccc(CN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090907915 180062024 /nfs/dbraw/zinc/06/20/24/180062024.db2.gz FJAOKDBVDOJLCW-IYBDPMFKSA-N 1 0 260.381 2.159 10 0 CEAERO C[C@@H](NC(=O)c1csc(CC[NH3+])n1)c1cccc(F)c1 ZINC000090952055 180072400 /nfs/dbraw/zinc/07/24/00/180072400.db2.gz UIOHKJPERFMJHD-SECBINFHSA-N 1 0 293.367 2.274 10 0 CEAERO CO[C@H]1CCC[C@H]1[NH2+]Cc1sccc1NC(C)=O ZINC000090960555 180075335 /nfs/dbraw/zinc/07/53/35/180075335.db2.gz JFBJIKBBTBHOHF-PWSUYJOCSA-N 1 0 268.382 2.364 10 0 CEAERO C[C@H](CN1CCCCC1)[NH2+]Cc1sccc1N ZINC000090960104 180075360 /nfs/dbraw/zinc/07/53/60/180075360.db2.gz DLAKRPMLAIYGCX-LLVKDONJSA-N 1 0 253.415 2.294 10 0 CEAERO CC(=O)Nc1ccsc1CNC1CC[NH+](C2CC2)CC1 ZINC000090960070 180075700 /nfs/dbraw/zinc/07/57/00/180075700.db2.gz ADFVWRGLMOKUMW-UHFFFAOYSA-N 1 0 293.436 2.423 10 0 CEAERO Nc1ccccc1C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000090961264 180075919 /nfs/dbraw/zinc/07/59/19/180075919.db2.gz KNIZPMAQNOFAMW-CYBMUJFWSA-N 1 0 270.332 2.198 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+]C1(CO)CCCCC1 ZINC000090960612 180076202 /nfs/dbraw/zinc/07/62/02/180076202.db2.gz OOKOVOSQSWERLU-UHFFFAOYSA-N 1 0 282.409 2.491 10 0 CEAERO Nc1ccsc1C[NH2+]C[C@H]1CCCC[C@@H]1CO ZINC000090960902 180076267 /nfs/dbraw/zinc/07/62/67/180076267.db2.gz UOOSGAXWOZUGNH-GHMZBOCLSA-N 1 0 254.399 2.219 10 0 CEAERO COCC[C@@H](C)[NH2+]Cc1sccc1NC(C)=O ZINC000090960805 180076475 /nfs/dbraw/zinc/07/64/75/180076475.db2.gz SAVPRSXTAIYKGE-SECBINFHSA-N 1 0 256.371 2.221 10 0 CEAERO CC(C)C[NH2+]Cc1ncnn1C[C@@H]1Cc2ccccc21 ZINC000090981610 180078752 /nfs/dbraw/zinc/07/87/52/180078752.db2.gz BMQPAMVRRPBEDU-AWEZNQCLSA-N 1 0 270.380 2.364 10 0 CEAERO CC[C@H](C)NC(=O)CC[NH2+]C[C@@H]1Cc2ccccc21 ZINC000090976409 180079173 /nfs/dbraw/zinc/07/91/73/180079173.db2.gz DKAHSPKUVRUPBF-JSGCOSHPSA-N 1 0 260.381 2.221 10 0 CEAERO CN(Cc1cccc(C[NH3+])c1)C(=O)[C@H]1Cc2ccccc21 ZINC000090982588 180079313 /nfs/dbraw/zinc/07/93/13/180079313.db2.gz KCPTWEAHYMBEPE-KRWDZBQOSA-N 1 0 280.371 2.444 10 0 CEAERO CN(CC[C@@H]1CCCC[NH2+]1)C(=O)[C@@H]1Cc2ccccc21 ZINC000090983750 180080183 /nfs/dbraw/zinc/08/01/83/180080183.db2.gz VZOFKKYLBTXRMN-GOEBONIOSA-N 1 0 272.392 2.317 10 0 CEAERO CN(C(=O)[C@@H]1Cc2ccccc21)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000090985640 180080875 /nfs/dbraw/zinc/08/08/75/180080875.db2.gz MPMGNKPJSUXTOM-BMFZPTHFSA-N 1 0 272.392 2.302 10 0 CEAERO [NH3+]CCc1cccc(C(=O)NC[C@@H]2Cc3ccccc32)c1 ZINC000090992106 180081165 /nfs/dbraw/zinc/08/11/65/180081165.db2.gz PSNXYZKJAVOKPW-INIZCTEOSA-N 1 0 280.371 2.258 10 0 CEAERO CC(C)[NH2+]Cc1cn(CCOCCO)c2ccccc12 ZINC000090995527 180082597 /nfs/dbraw/zinc/08/25/97/180082597.db2.gz WCQBPPXHHWFSBD-UHFFFAOYSA-N 1 0 276.380 2.148 10 0 CEAERO CC[NH2+]Cc1cccn1Cc1cn2ccccc2n1 ZINC000090995900 180082643 /nfs/dbraw/zinc/08/26/43/180082643.db2.gz UDYWDLUBZIHZDO-UHFFFAOYSA-N 1 0 254.337 2.294 10 0 CEAERO CCc1nn(CC)c(Cn2cccc2C[NH3+])c1Cl ZINC000090995147 180082918 /nfs/dbraw/zinc/08/29/18/180082918.db2.gz HVVZVIHUNQBDQP-UHFFFAOYSA-N 1 0 266.776 2.427 10 0 CEAERO C[NH2+]Cc1cccn1CC(=O)Nc1ccc(C)cc1 ZINC000090995801 180082952 /nfs/dbraw/zinc/08/29/52/180082952.db2.gz UYHJTBHJHHYJEK-UHFFFAOYSA-N 1 0 257.337 2.155 10 0 CEAERO CCC[NH2+]Cc1cccn1CC(=O)N[C@H](C)C(C)C ZINC000090996169 180083429 /nfs/dbraw/zinc/08/34/29/180083429.db2.gz HSPQNZNNQKUTJC-CYBMUJFWSA-N 1 0 265.401 2.148 10 0 CEAERO COc1c(C)cnc(Cn2ccc(CC[NH3+])c2)c1C ZINC000091004797 180083739 /nfs/dbraw/zinc/08/37/39/180083739.db2.gz UAHLURMSAJGYPT-UHFFFAOYSA-N 1 0 259.353 2.058 10 0 CEAERO CCn1ccc(C[NH2+]C2CCN(C(=O)C(C)C)CC2)c1 ZINC000091012035 180085994 /nfs/dbraw/zinc/08/59/94/180085994.db2.gz KQFJAYGAKLITCL-UHFFFAOYSA-N 1 0 277.412 2.245 10 0 CEAERO CCCn1ccc(C[NH2+][C@@H](C)C(=O)N(CC)CC)c1 ZINC000091011821 180086069 /nfs/dbraw/zinc/08/60/69/180086069.db2.gz FEGPTYJWZSLAMR-ZDUSSCGKSA-N 1 0 265.401 2.245 10 0 CEAERO CCCn1ccc(C[NH2+]CC(C)(C)N2CCOCC2)c1 ZINC000091009514 180086303 /nfs/dbraw/zinc/08/63/03/180086303.db2.gz JUKZZMUEYUGTBH-UHFFFAOYSA-N 1 0 279.428 2.099 10 0 CEAERO COc1ncccc1C[NH2+]Cc1c[nH]c2ncccc12 ZINC000091017001 180086940 /nfs/dbraw/zinc/08/69/40/180086940.db2.gz WFUNJXWKEARJPT-UHFFFAOYSA-N 1 0 268.320 2.256 10 0 CEAERO OC[C@@H]1CCC[C@H]1C[NH2+]Cc1c[nH]c2ncccc12 ZINC000091019102 180087044 /nfs/dbraw/zinc/08/70/44/180087044.db2.gz LZSUXBGKHPDZFK-RYUDHWBXSA-N 1 0 259.353 2.061 10 0 CEAERO OC[C@@H]1CCCC[C@H]1C[NH2+]Cc1c[nH]c2ncccc12 ZINC000091019113 180087065 /nfs/dbraw/zinc/08/70/65/180087065.db2.gz DBISFJCSMSUEQV-STQMWFEESA-N 1 0 273.380 2.451 10 0 CEAERO C[NH2+]Cc1cn(CC2CCOCC2)c2ncccc12 ZINC000091019818 180087773 /nfs/dbraw/zinc/08/77/73/180087773.db2.gz KWKFRGRBXYLLNA-UHFFFAOYSA-N 1 0 259.353 2.182 10 0 CEAERO CCn1ccnc1Cn1cc(C[NH2+]C)c2cccnc21 ZINC000091019613 180088154 /nfs/dbraw/zinc/08/81/54/180088154.db2.gz WMDNFTPEEAFSIE-UHFFFAOYSA-N 1 0 269.352 2.020 10 0 CEAERO C[NH2+]Cc1cn(Cc2ncc(Cl)n2C)c2ncccc12 ZINC000091019441 180088337 /nfs/dbraw/zinc/08/83/37/180088337.db2.gz XHXHMEMBILWOIQ-UHFFFAOYSA-N 1 0 289.770 2.191 10 0 CEAERO C[C@H]([NH3+])Cc1cn(CCOC(F)(F)F)c2ncccc12 ZINC000091021580 180088814 /nfs/dbraw/zinc/08/88/14/180088814.db2.gz RLNBXTOBEGIYHF-VIFPVBQESA-N 1 0 287.285 2.462 10 0 CEAERO C[C@H]([NH3+])Cc1cn(CC[C@H]2CCCO2)c2ncccc12 ZINC000091021716 180088856 /nfs/dbraw/zinc/08/88/56/180088856.db2.gz HFNPISRELFOGHU-GXTWGEPZSA-N 1 0 273.380 2.495 10 0 CEAERO c1cc(Cn2cc(C[NH2+]C3CC3)c3cccnc32)on1 ZINC000091020980 180089003 /nfs/dbraw/zinc/08/90/03/180089003.db2.gz KFAQDZBYWPJAOW-UHFFFAOYSA-N 1 0 268.320 2.325 10 0 CEAERO Cc1nnc(-c2csc(CC[NH3+])n2)n1C1CCCC1 ZINC000090945114 180069347 /nfs/dbraw/zinc/06/93/47/180069347.db2.gz CZEKQTOVMQXARP-UHFFFAOYSA-N 1 0 277.397 2.326 10 0 CEAERO [NH3+]CCc1nc(C(=O)NCc2ccc(Cl)cc2)cs1 ZINC000090946409 180070554 /nfs/dbraw/zinc/07/05/54/180070554.db2.gz QZOGZMJHEBTVAZ-UHFFFAOYSA-N 1 0 295.795 2.228 10 0 CEAERO CC[C@](C)(C[NH3+])[C@](C)(O)COCc1ccccc1 ZINC000669377439 539760610 /nfs/dbraw/zinc/76/06/10/539760610.db2.gz PXNCXSMXJMBYLA-HUUCEWRRSA-N 1 0 251.370 2.329 10 0 CEAERO CCCn1c(C[C@@H]2CSCC[NH2+]2)nc2cccnc21 ZINC000091128710 180100605 /nfs/dbraw/zinc/10/06/05/180100605.db2.gz LHJPLWBWFQZIBJ-LLVKDONJSA-N 1 0 276.409 2.089 10 0 CEAERO CCN(CC[C@H]1C[NH2+]CCO1)c1cccc(F)c1 ZINC000091314025 180132610 /nfs/dbraw/zinc/13/26/10/180132610.db2.gz XIMUXFNNJYQVBJ-AWEZNQCLSA-N 1 0 252.333 2.031 10 0 CEAERO CCOCCC[C@](C[NH3+])(c1ccccc1)[C@H](C)O ZINC000091327735 180135882 /nfs/dbraw/zinc/13/58/82/180135882.db2.gz SLRNHVDWESANFF-DZGCQCFKSA-N 1 0 251.370 2.081 10 0 CEAERO CCCCn1ncc(C[NH2+]CCOC)c1C(F)(F)F ZINC000091337703 180136161 /nfs/dbraw/zinc/13/61/61/180136161.db2.gz BPQOMJPIJVDQOG-UHFFFAOYSA-N 1 0 279.306 2.438 10 0 CEAERO Cc1n[nH]c(C)c1NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091359574 180140584 /nfs/dbraw/zinc/14/05/84/180140584.db2.gz DQUVZCIIKIYOGE-AVGNSLFASA-N 1 0 276.384 2.276 10 0 CEAERO COC1CCN(C[C@@H]2CC[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000091362244 180141926 /nfs/dbraw/zinc/14/19/26/180141926.db2.gz XZQHXTRXFPFMFH-YCPHGPKFSA-N 1 0 266.429 2.408 10 0 CEAERO CCOc1ccc([C@H]([NH3+])CSC[C@H](C)CO)cc1 ZINC000091260440 180115795 /nfs/dbraw/zinc/11/57/95/180115795.db2.gz FFIQGPGGLCKYSU-BXUZGUMPSA-N 1 0 269.410 2.447 10 0 CEAERO CC(C)n1cncc1CN(C)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000091273111 180118035 /nfs/dbraw/zinc/11/80/35/180118035.db2.gz VORILYVSFNPKQI-TZMCWYRMSA-N 1 0 250.390 2.023 10 0 CEAERO CC[C@H]1CN(Cc2cncn2C2CC2)[C@@H](CC)C[NH2+]1 ZINC000091277090 180120185 /nfs/dbraw/zinc/12/01/85/180120185.db2.gz MJOYJRSLCMEPTG-STQMWFEESA-N 1 0 262.401 2.180 10 0 CEAERO Cc1ccccc1N(C)C(=O)C[C@H]1CSCC[NH2+]1 ZINC000091290795 180122182 /nfs/dbraw/zinc/12/21/82/180122182.db2.gz OMLATVAGNQRNKP-LBPRGKRZSA-N 1 0 264.394 2.053 10 0 CEAERO Cc1ccc(N(C)C(=O)C[C@H]2CSCC[NH2+]2)c(C)c1 ZINC000091290787 180122337 /nfs/dbraw/zinc/12/23/37/180122337.db2.gz CRYAQYOKJVJLKM-ZDUSSCGKSA-N 1 0 278.421 2.361 10 0 CEAERO C[C@@H](NC(=O)C[C@H]1CSCC[NH2+]1)c1ccsc1 ZINC000091291157 180122934 /nfs/dbraw/zinc/12/29/34/180122934.db2.gz RPWCYJIXAKRKAF-KOLCDFICSA-N 1 0 270.423 2.020 10 0 CEAERO c1coc(CN(CC[C@@H]2CSCC[NH2+]2)C2CC2)c1 ZINC000091292167 180123879 /nfs/dbraw/zinc/12/38/79/180123879.db2.gz HFHXZFBJYAEKRX-GFCCVEGCSA-N 1 0 266.410 2.339 10 0 CEAERO CC(C)n1c(C[C@@H]2C[NH2+]CCO2)nc2ccccc21 ZINC000091293175 180123987 /nfs/dbraw/zinc/12/39/87/180123987.db2.gz UURLRTQJSKBMBY-GFCCVEGCSA-N 1 0 259.353 2.148 10 0 CEAERO CC(C)n1c(C[C@@H]2C[NH2+]CCO2)nc2cc(F)ccc21 ZINC000091293217 180124081 /nfs/dbraw/zinc/12/40/81/180124081.db2.gz MPKMGWGEUJHQSA-GFCCVEGCSA-N 1 0 277.343 2.287 10 0 CEAERO O=C(C[C@H]1C[NH2+]CCO1)Nc1cccc(Cl)c1Cl ZINC000091299253 180125829 /nfs/dbraw/zinc/12/58/29/180125829.db2.gz OVUAOPVDCCUTRF-QMMMGPOBSA-N 1 0 289.162 2.310 10 0 CEAERO CC(C)(C)OC(=O)N1CCCC[C@H]2[C@@H]1[C@@]1(CCOC1)[C@H]2[NH3+] ZINC000669382900 539765730 /nfs/dbraw/zinc/76/57/30/539765730.db2.gz FPTCDFSSZUZYRO-OQMKEHIESA-N 1 0 296.411 2.140 10 0 CEAERO C[C@@H]1CCC[C@@](CO)(C[N@@H+]2CCC[C@H](N(C)C)C2)C1 ZINC000091429651 180153198 /nfs/dbraw/zinc/15/31/98/180153198.db2.gz ASTXKOYQHMPGPP-PMPSAXMXSA-N 1 0 268.445 2.201 10 0 CEAERO [NH3+]Cc1cncc(O[C@H]2CCCc3ccccc32)n1 ZINC000091433633 180154127 /nfs/dbraw/zinc/15/41/27/180154127.db2.gz MYXUNAHZHKKJTG-AWEZNQCLSA-N 1 0 255.321 2.392 10 0 CEAERO C[NH2+]Cc1cncc(Oc2cncc(Br)c2)n1 ZINC000091435428 180154674 /nfs/dbraw/zinc/15/46/74/180154674.db2.gz PSEPMFKYZAZDHW-UHFFFAOYSA-N 1 0 295.140 2.146 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1cccs1)N(C)CC1CC(O)C1 ZINC000091451649 180158790 /nfs/dbraw/zinc/15/87/90/180158790.db2.gz NCBDVLFNZWZHNK-BUCSNLDVSA-N 1 0 268.426 2.229 10 0 CEAERO C[C@@H]1CCC[C@H](C[NH3+])N1C(=O)c1ccncc1Cl ZINC000091457029 180160303 /nfs/dbraw/zinc/16/03/03/180160303.db2.gz ZEYVAEDZEXOJHR-NXEZZACHSA-N 1 0 267.760 2.077 10 0 CEAERO CCN(C(=O)c1ccncc1Cl)[C@@H]1CCC[C@H]1C[NH3+] ZINC000091457157 180160668 /nfs/dbraw/zinc/16/06/68/180160668.db2.gz XZEQTFDKXSKHBQ-GXFFZTMASA-N 1 0 281.787 2.325 10 0 CEAERO Cc1ccsc1[C@H]([C@H](C)[NH3+])N(C)CC1CC(O)C1 ZINC000091462849 180162421 /nfs/dbraw/zinc/16/24/21/180162421.db2.gz ZVWZWXOXNAWALJ-WTIISPKJSA-N 1 0 268.426 2.148 10 0 CEAERO Cc1ccc([C@@H]([C@@H](C)N)[N@H+](C)CC2CC(O)C2)cc1 ZINC000091464194 180162931 /nfs/dbraw/zinc/16/29/31/180162931.db2.gz HMVHNTAXYSBWTJ-FKFRUQKQSA-N 1 0 262.397 2.086 10 0 CEAERO Cc1cccc([C@@H]([C@H](C)[NH3+])N(C)CC2CC(O)C2)c1 ZINC000091464232 180163125 /nfs/dbraw/zinc/16/31/25/180163125.db2.gz AFJQEJWGUNJFOZ-ADNDVJRGSA-N 1 0 262.397 2.086 10 0 CEAERO CCC[NH2+]CC[C@@](C)(O)Cc1ccccc1OC ZINC000091466503 180163522 /nfs/dbraw/zinc/16/35/22/180163522.db2.gz MJGPOLCWFWKVNU-OAHLLOKOSA-N 1 0 251.370 2.378 10 0 CEAERO CC(C)[NH2+]CC[C@@](C)(O)Cc1nn(C)c2ccccc12 ZINC000091466465 180163659 /nfs/dbraw/zinc/16/36/59/180163659.db2.gz JTNSJPLFJSRPIV-MRXNPFEDSA-N 1 0 275.396 2.255 10 0 CEAERO CC[NH2+]CC[C@@](C)(O)c1ccc2c(c1)OCCCO2 ZINC000091466766 180164131 /nfs/dbraw/zinc/16/41/31/180164131.db2.gz KVQKUFMKGHFTSP-OAHLLOKOSA-N 1 0 265.353 2.055 10 0 CEAERO CC[NH2+]CC[C@](C)(O)CCc1ccc(OC)cc1 ZINC000091469319 180164805 /nfs/dbraw/zinc/16/48/05/180164805.db2.gz DYTWSXQVVDPJKX-OAHLLOKOSA-N 1 0 251.370 2.378 10 0 CEAERO [NH3+]CC1CN(C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000091487286 180168041 /nfs/dbraw/zinc/16/80/41/180168041.db2.gz UUOBOSQEKNJRSM-UHFFFAOYSA-N 1 0 273.258 2.128 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000091496775 180172640 /nfs/dbraw/zinc/17/26/40/180172640.db2.gz AUUUXJWEZUITJU-INRQWTSDSA-N 1 0 291.439 2.395 10 0 CEAERO CCCc1ccc(S(=O)(=O)N[C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC000091496818 180172807 /nfs/dbraw/zinc/17/28/07/180172807.db2.gz QZAHAXFLVKRFHU-SWLSCSKDSA-N 1 0 296.436 2.058 10 0 CEAERO C[C@H](C(=O)c1ccccc1)N1CCC[C@H]([NH+](C)C)C1 ZINC000091394783 180145988 /nfs/dbraw/zinc/14/59/88/180145988.db2.gz OLCYPQUEQBJHGH-HIFRSBDPSA-N 1 0 260.381 2.284 10 0 CEAERO c1ncc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2)o1 ZINC000091409749 180148014 /nfs/dbraw/zinc/14/80/14/180148014.db2.gz FAKOHETXJSUOQD-AWEZNQCLSA-N 1 0 257.337 2.039 10 0 CEAERO O=C1CC2(CN1Cc1ccc(F)cc1F)CC[NH2+]CC2 ZINC000091408499 180148452 /nfs/dbraw/zinc/14/84/52/180148452.db2.gz HNCUOHNZCBBDHN-UHFFFAOYSA-N 1 0 280.318 2.067 10 0 CEAERO O=C(Nc1ccc(Cl)c2ncccc12)C1C[NH2+]C1 ZINC000091412607 180149062 /nfs/dbraw/zinc/14/90/62/180149062.db2.gz SEAKVBOLADLQKH-UHFFFAOYSA-N 1 0 261.712 2.046 10 0 CEAERO C[NH2+]Cc1cncc(N2c3ccccc3C[C@@H]2C)n1 ZINC000091418630 180149995 /nfs/dbraw/zinc/14/99/95/180149995.db2.gz TYYKSWCAAWRXHV-NSHDSACASA-N 1 0 254.337 2.279 10 0 CEAERO CCC[NH2+]Cc1cncc(N2Cc3ccccc3C2)n1 ZINC000091418191 180150182 /nfs/dbraw/zinc/15/01/82/180150182.db2.gz BDFBWRHFZPAEHX-UHFFFAOYSA-N 1 0 268.364 2.496 10 0 CEAERO c1sc([C@@H]2C[NH2+]CCO2)nc1Cc1ccccc1 ZINC000091500227 180174831 /nfs/dbraw/zinc/17/48/31/180174831.db2.gz FKQQFDILNHLSOA-ZDUSSCGKSA-N 1 0 260.362 2.395 10 0 CEAERO CC(C)[NH2+]Cc1cncc(-n2ccc(C(F)(F)F)n2)n1 ZINC000091422462 180151374 /nfs/dbraw/zinc/15/13/74/180151374.db2.gz FIZNFLRJXYBWOO-UHFFFAOYSA-N 1 0 285.273 2.179 10 0 CEAERO CC(C)(C)[NH2+]Cc1cncc(-n2ccc(C3CC3)n2)n1 ZINC000091422510 180151443 /nfs/dbraw/zinc/15/14/43/180151443.db2.gz HRJQTGMONSYZIA-UHFFFAOYSA-N 1 0 271.368 2.428 10 0 CEAERO CC[NH2+][C@H](Cc1cnccc1N)C(C)(C)N1CCCCC1 ZINC000091565233 180193377 /nfs/dbraw/zinc/19/33/77/180193377.db2.gz OHXCRNRDFANMAW-MRXNPFEDSA-N 1 0 290.455 2.449 10 0 CEAERO CC(C)([C@@H]([NH3+])c1cncc2ccccc21)N1CCOCC1 ZINC000091566414 180193891 /nfs/dbraw/zinc/19/38/91/180193891.db2.gz ATSPAABRHUZKHZ-INIZCTEOSA-N 1 0 285.391 2.345 10 0 CEAERO Cc1ccc(F)cc1[C@@H]([NH3+])C(C)(C)N1CCOCC1 ZINC000091566342 180193942 /nfs/dbraw/zinc/19/39/42/180193942.db2.gz ONFZJNIWUHPVHO-CQSZACIVSA-N 1 0 266.360 2.245 10 0 CEAERO Cc1cc(C)cc(C[C@@H]([NH3+])C(C)(C)N2CCOCC2)c1 ZINC000091566402 180193986 /nfs/dbraw/zinc/19/39/86/180193986.db2.gz FZXYAGHKBFMGTE-MRXNPFEDSA-N 1 0 276.424 2.284 10 0 CEAERO Cc1ccc([C@H]([NH3+])C(C)(C)N2CCOCC2)cc1C ZINC000091566307 180194089 /nfs/dbraw/zinc/19/40/89/180194089.db2.gz PEPXOAQWCIMSSU-HNNXBMFYSA-N 1 0 262.397 2.414 10 0 CEAERO CC(C)([C@@H]([NH3+])c1cccc2cnccc21)N1CCOCC1 ZINC000091566324 180194160 /nfs/dbraw/zinc/19/41/60/180194160.db2.gz ZNUPKBPNRQYCPR-INIZCTEOSA-N 1 0 285.391 2.345 10 0 CEAERO CCc1ccc(C[C@@H]([NH3+])C(C)(C)N2CCOCC2)s1 ZINC000091566346 180194163 /nfs/dbraw/zinc/19/41/63/180194163.db2.gz YBXOQXCCJBFAQO-CQSZACIVSA-N 1 0 282.453 2.291 10 0 CEAERO CCc1ccc(C[C@H]([NH3+])C(C)(C)N2CCOCC2)cc1 ZINC000091566092 180194243 /nfs/dbraw/zinc/19/42/43/180194243.db2.gz NLVRRMLYDMLLQQ-INIZCTEOSA-N 1 0 276.424 2.230 10 0 CEAERO CC[NH2+][C@@H](CCC[C@@H]1CCCO1)C(C)(C)N1CCOCC1 ZINC000091567022 180194621 /nfs/dbraw/zinc/19/46/21/180194621.db2.gz MSGHQIUIPYZUNZ-CVEARBPZSA-N 1 0 298.471 2.425 10 0 CEAERO CC[NH2+][C@H](Cc1cccc(F)c1)C(C)(C)N1CCOCC1 ZINC000091566903 180195010 /nfs/dbraw/zinc/19/50/10/180195010.db2.gz MAHOCXCFZGVCMN-MRXNPFEDSA-N 1 0 294.414 2.457 10 0 CEAERO CC(C)([C@H](N)Cc1cccnc1N)[NH+]1CCCCCC1 ZINC000091567881 180195143 /nfs/dbraw/zinc/19/51/43/180195143.db2.gz GPHKDPKNTQIKHZ-CQSZACIVSA-N 1 0 276.428 2.188 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@H](N)c1c(C)ccnc1N ZINC000091573592 180196377 /nfs/dbraw/zinc/19/63/77/180196377.db2.gz FJQBTIHQRNUJCW-HIFRSBDPSA-N 1 0 264.417 2.483 10 0 CEAERO CCC[NH2+][C@@H](Cc1cnccc1N)[C@@](C)(CC)N(C)C ZINC000091571796 180196415 /nfs/dbraw/zinc/19/64/15/180196415.db2.gz HXEBXYUBJYJXQB-JKSUJKDBSA-N 1 0 278.444 2.305 10 0 CEAERO CCn1cc([C@H](O)[C@@](C)(CC)[NH+](CC)CC)cn1 ZINC000091572859 180196458 /nfs/dbraw/zinc/19/64/58/180196458.db2.gz NGVPNPMPXNEXFX-UONOGXRCSA-N 1 0 253.390 2.447 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@@H](O)Cc1cccnc1N ZINC000091573222 180196578 /nfs/dbraw/zinc/19/65/78/180196578.db2.gz CNDKRFHGYHGBOX-ZFWWWQNUSA-N 1 0 265.401 2.078 10 0 CEAERO CCn1nccc1[C@H](N)[C@@](C)(CC)[NH+](CC)CC ZINC000091573551 180196707 /nfs/dbraw/zinc/19/67/07/180196707.db2.gz XWJLBDMWXXZFPI-UONOGXRCSA-N 1 0 252.406 2.413 10 0 CEAERO CCCc1nn(C)c(NCC[NH+](C(C)C)C(C)C)c1N ZINC000091580953 180198862 /nfs/dbraw/zinc/19/88/62/180198862.db2.gz KDVZZGGDNHZNEM-UHFFFAOYSA-N 1 0 281.448 2.486 10 0 CEAERO CC[N@@H+]1CCC[C@H](Nc2c(N)c(C(C)C)nn2C)C1 ZINC000091581920 180199234 /nfs/dbraw/zinc/19/92/34/180199234.db2.gz KZXIOLGQHHTVAV-NSHDSACASA-N 1 0 265.405 2.022 10 0 CEAERO CCN(CC)[C@@](C)(CC)[C@H](Cc1ccnc(N)c1)[NH2+]C ZINC000091599128 180202730 /nfs/dbraw/zinc/20/27/30/180202730.db2.gz ATAHKMMZECLDBV-HOCLYGCPSA-N 1 0 278.444 2.305 10 0 CEAERO CCC[NH2+][C@H](Cc1ncnn1C)[C@](C)(CC)N(CC)CC ZINC000091601508 180203376 /nfs/dbraw/zinc/20/33/76/180203376.db2.gz UIWMSHMJPHLYMY-ZBFHGGJFSA-N 1 0 295.475 2.236 10 0 CEAERO CC[C@@](C)([C@H](O)c1cc(C)cnc1N)[NH+]1CCCC1 ZINC000091603704 180203575 /nfs/dbraw/zinc/20/35/75/180203575.db2.gz LRARUJLREUEGJH-HIFRSBDPSA-N 1 0 263.385 2.270 10 0 CEAERO CC[C@](C)(C(=O)Cc1cc(C)nn1C)[NH+]1CCCCC1 ZINC000091607958 180204063 /nfs/dbraw/zinc/20/40/63/180204063.db2.gz LQEQGFRJNIGAGD-MRXNPFEDSA-N 1 0 277.412 2.495 10 0 CEAERO CC[C@](C)([C@@H](O)C1CCOCC1)[NH+]1CCCCC1 ZINC000091608288 180204134 /nfs/dbraw/zinc/20/41/34/180204134.db2.gz SPSBSJJDLNDVJW-LSDHHAIUSA-N 1 0 255.402 2.429 10 0 CEAERO CC[C@](C)([C@H](N)c1ccnn1C)[NH+]1CCCCC1 ZINC000091609274 180204958 /nfs/dbraw/zinc/20/49/58/180204958.db2.gz KPMGTGXLHXIGMV-ZIAGYGMSSA-N 1 0 250.390 2.075 10 0 CEAERO CC[C@@](C)([C@@H]([NH2+]C)c1cnn(C)c1)N1CCCCC1 ZINC000091609863 180205888 /nfs/dbraw/zinc/20/58/88/180205888.db2.gz MHHRFSNTJSVIRU-GJZGRUSLSA-N 1 0 264.417 2.335 10 0 CEAERO CC[C@](C)([C@H](O)Cc1cccs1)[NH+]1CCOCC1 ZINC000091611354 180206186 /nfs/dbraw/zinc/20/61/86/180206186.db2.gz WVLFBFJYGXXAQK-ZIAGYGMSSA-N 1 0 269.410 2.152 10 0 CEAERO CC[C@](C)([C@H]([NH3+])c1ccccc1OC)N1CCOCC1 ZINC000091611634 180206416 /nfs/dbraw/zinc/20/64/16/180206416.db2.gz GUYZWWOGEOVYER-HZPDHXFCSA-N 1 0 278.396 2.196 10 0 CEAERO CCC[NH2+][C@@H](c1cncnc1)[C@@](C)(CC)N1CCOCC1 ZINC000091613089 180207029 /nfs/dbraw/zinc/20/70/29/180207029.db2.gz KKROAHNKOUHJAU-JKSUJKDBSA-N 1 0 292.427 2.018 10 0 CEAERO CC[C@](C)([C@H](CCC1CC1)[NH2+]C)N1CCOCC1 ZINC000091612548 180207031 /nfs/dbraw/zinc/20/70/31/180207031.db2.gz SBLVMAQGDCSSRW-LSDHHAIUSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@@](C)([C@@H]([NH3+])Cc1ccc(F)cc1F)N1CCOCC1 ZINC000091612079 180207217 /nfs/dbraw/zinc/20/72/17/180207217.db2.gz JQNIMNQFIWECCZ-HOTGVXAUSA-N 1 0 298.377 2.336 10 0 CEAERO CC[C@](C)([C@@H]([NH3+])Cc1ccccc1OC)N1CCOCC1 ZINC000091612180 180207413 /nfs/dbraw/zinc/20/74/13/180207413.db2.gz FERMWEPTFJWIEG-DLBZAZTESA-N 1 0 292.423 2.066 10 0 CEAERO CC[NH+](CC)C(CC)(CC)[C@@H](N)Cc1ccnc(N)c1 ZINC000091615816 180207672 /nfs/dbraw/zinc/20/76/72/180207672.db2.gz UJPDVGNRAPUKEK-AWEZNQCLSA-N 1 0 278.444 2.434 10 0 CEAERO CCC[NH2+][C@H](c1cncnc1)[C@](C)(CC)N1CCOCC1 ZINC000091613092 180207676 /nfs/dbraw/zinc/20/76/76/180207676.db2.gz KKROAHNKOUHJAU-CVEARBPZSA-N 1 0 292.427 2.018 10 0 CEAERO CC[NH+](CC)C(CC)(CC)[C@H](N)c1cnccn1 ZINC000091615831 180207967 /nfs/dbraw/zinc/20/79/67/180207967.db2.gz FOAIXMNFKWJZDE-CYBMUJFWSA-N 1 0 250.390 2.377 10 0 CEAERO CCC[NH2+][C@H](Cc1ncnn1CC)C(CC)(CC)N(C)C ZINC000091615225 180208004 /nfs/dbraw/zinc/20/80/04/180208004.db2.gz APCLAUOEPDFPRY-CQSZACIVSA-N 1 0 295.475 2.329 10 0 CEAERO CC[NH2+][C@@H](Cc1cnccc1N)C(CC)(CC)N(C)C ZINC000091614681 180208040 /nfs/dbraw/zinc/20/80/40/180208040.db2.gz ZXJAXDWOWKQWGG-HNNXBMFYSA-N 1 0 278.444 2.305 10 0 CEAERO Cc1cc(F)cc(NC2CC[NH+](CC(=O)N(C)C)CC2)c1 ZINC000091510163 180176196 /nfs/dbraw/zinc/17/61/96/180176196.db2.gz LPZYCJWICGGLML-UHFFFAOYSA-N 1 0 293.386 2.099 10 0 CEAERO COCC[NH2+]CC[C@@](C)(O)c1ccc(OC(C)C)cc1 ZINC000091521054 180178456 /nfs/dbraw/zinc/17/84/56/180178456.db2.gz MPMXXUWEXKKACA-MRXNPFEDSA-N 1 0 281.396 2.307 10 0 CEAERO C[C@H]([NH2+]CC1CC(O)C1)c1ccc2c(c1)OCCCO2 ZINC000091525450 180179138 /nfs/dbraw/zinc/17/91/38/180179138.db2.gz RAUVGHWJMMLIPE-DCBWTQNWSA-N 1 0 277.364 2.269 10 0 CEAERO COc1ccc([C@@H](N)C(C)(C)[NH+](C)C)cc1OC ZINC000091528427 180179444 /nfs/dbraw/zinc/17/94/44/180179444.db2.gz VLDXJIIITRLYFL-CYBMUJFWSA-N 1 0 252.358 2.044 10 0 CEAERO CC[NH2+][C@@H](c1ccc2c(c1)OCCO2)C(C)(C)N(C)C ZINC000091529046 180180284 /nfs/dbraw/zinc/18/02/84/180180284.db2.gz AJFGGCGLFMGKMM-HNNXBMFYSA-N 1 0 278.396 2.449 10 0 CEAERO CC[NH2+][C@H](Cc1ccn(C(C)C)n1)C(C)(C)N(C)C ZINC000091529187 180180366 /nfs/dbraw/zinc/18/03/66/180180366.db2.gz VCJZNXGKVSBUCX-CQSZACIVSA-N 1 0 266.433 2.325 10 0 CEAERO CCc1nn(CC)c(C[C@H](N)C(C)(C)[NH+](C)C)c1Cl ZINC000091528507 180180477 /nfs/dbraw/zinc/18/04/77/180180477.db2.gz MUTIVDPBUQXNBV-LBPRGKRZSA-N 1 0 286.851 2.329 10 0 CEAERO C[NH2+][C@H](Cc1cccc(OC)c1)C(C)(C)N(C)C ZINC000091528778 180180755 /nfs/dbraw/zinc/18/07/55/180180755.db2.gz ZJJHRZCXXBZOPH-CQSZACIVSA-N 1 0 250.386 2.166 10 0 CEAERO CCCn1ccnc1[C@@H](N)C(C)(C)[NH+](CC)CC ZINC000091530543 180181002 /nfs/dbraw/zinc/18/10/02/180181002.db2.gz OLMUNXDXUZLKID-GFCCVEGCSA-N 1 0 252.406 2.413 10 0 CEAERO CCCn1ccnc1[C@@H](N)C(C)(C)[NH+]1CCCC1 ZINC000091534137 180181354 /nfs/dbraw/zinc/18/13/54/180181354.db2.gz MKEJGTXOMSLGAX-GFCCVEGCSA-N 1 0 250.390 2.167 10 0 CEAERO C[NH2+][C@H](c1c(C)ccnc1N)C(C)(C)N1CCCC1 ZINC000091534416 180181481 /nfs/dbraw/zinc/18/14/81/180181481.db2.gz UWVIKOXONRNSOE-CYBMUJFWSA-N 1 0 262.401 2.107 10 0 CEAERO CCCn1nccc1[C@H]([NH2+]C)C(C)(C)N1CCCC1 ZINC000091534518 180181574 /nfs/dbraw/zinc/18/15/74/180181574.db2.gz SUFZJQZUDDBKFZ-AWEZNQCLSA-N 1 0 264.417 2.428 10 0 CEAERO CC(C)n1ccc(C[C@@H](N)C(C)(C)[NH+]2CCCC2)n1 ZINC000091534144 180181634 /nfs/dbraw/zinc/18/16/34/180181634.db2.gz WPGRXIPIKYBJCS-CQSZACIVSA-N 1 0 264.417 2.208 10 0 CEAERO CN(C(=O)[C@H]1CC[C@@H]([NH3+])C1)C1C2CC3CC(C2)CC1C3 ZINC000091542270 180184351 /nfs/dbraw/zinc/18/43/51/180184351.db2.gz CDPPCTLRUMWRCH-DRHLYTSKSA-N 1 0 276.424 2.397 10 0 CEAERO CN(CCOc1ccc(Cl)cc1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091543038 180184417 /nfs/dbraw/zinc/18/44/17/180184417.db2.gz HCEHDGXZSQXRBG-DGCLKSJQSA-N 1 0 296.798 2.305 10 0 CEAERO COc1ccccc1CN(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)C1CC1 ZINC000091549004 180188440 /nfs/dbraw/zinc/18/84/40/180188440.db2.gz BQKPOQJCVZDZCO-TZMCWYRMSA-N 1 0 288.391 2.314 10 0 CEAERO CCC(CC)([C@H](O)c1cnccc1N)[NH+]1CCCC1 ZINC000091634666 180210787 /nfs/dbraw/zinc/21/07/87/180210787.db2.gz UHRSTCKVTZUGFG-CQSZACIVSA-N 1 0 263.385 2.352 10 0 CEAERO CCn1cc(C[C@@H](N)C(CC)(CC)[NH+]2CCCC2)cn1 ZINC000091634802 180211366 /nfs/dbraw/zinc/21/13/66/180211366.db2.gz DVTAIMAFFLFMGG-OAHLLOKOSA-N 1 0 278.444 2.427 10 0 CEAERO CC[NH+](CC)C1([C@H](O)Cc2ncnn2C(C)C)CCCC1 ZINC000091638790 180212483 /nfs/dbraw/zinc/21/24/83/180212483.db2.gz JQASRLFIAVNMOT-CQSZACIVSA-N 1 0 294.443 2.417 10 0 CEAERO Cc1ccnc(N)c1[C@H](O)C1([NH+]2CCCC2)CCCC1 ZINC000091640162 180213263 /nfs/dbraw/zinc/21/32/63/180213263.db2.gz JOICKBXKISLJPK-AWEZNQCLSA-N 1 0 275.396 2.414 10 0 CEAERO CC[C@@H](C)C[C@H]([NH3+])C1(N2CCOCC2)CCCC1 ZINC000091642842 180213757 /nfs/dbraw/zinc/21/37/57/180213757.db2.gz SLBOAXNBOXAJSS-KGLIPLIRSA-N 1 0 254.418 2.395 10 0 CEAERO CC[C@@H](C)C[C@@H](O)C1([NH+]2CCOCC2)CCCC1 ZINC000091642611 180214057 /nfs/dbraw/zinc/21/40/57/180214057.db2.gz VHDYYFCEBUUFMH-ZIAGYGMSSA-N 1 0 255.402 2.429 10 0 CEAERO CCn1ccnc1[C@@H](O)C1([NH+](C)C)CCC(C)CC1 ZINC000091648414 180215398 /nfs/dbraw/zinc/21/53/98/180215398.db2.gz HOFRXANALMVSEK-JVWICGRDSA-N 1 0 265.401 2.447 10 0 CEAERO CCn1cc(C[C@H](N)C2([NH+](C)C)CCCCC2)cn1 ZINC000091647116 180215651 /nfs/dbraw/zinc/21/56/51/180215651.db2.gz QNCBKYIAOUGBPQ-AWEZNQCLSA-N 1 0 264.417 2.037 10 0 CEAERO CCn1cc(C[C@@H](O)C2([NH+](C)C)CCCCC2)cn1 ZINC000091646718 180215677 /nfs/dbraw/zinc/21/56/77/180215677.db2.gz PLJYUNMXLWHPJU-CQSZACIVSA-N 1 0 265.401 2.071 10 0 CEAERO CC(C)Cn1ncnc1C[C@@H](O)C1([NH+](C)C)CCCCC1 ZINC000091646822 180215786 /nfs/dbraw/zinc/21/57/86/180215786.db2.gz SHDLSEIBRMNRRG-CQSZACIVSA-N 1 0 294.443 2.102 10 0 CEAERO Cc1cnc(N)c([C@H](N)[C@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC000091651984 180216829 /nfs/dbraw/zinc/21/68/29/180216829.db2.gz GOVLQTXYDYHOTO-PJODQICGSA-N 1 0 276.428 2.483 10 0 CEAERO CN[C@H](c1nccn1C)[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000091652663 180216870 /nfs/dbraw/zinc/21/68/70/180216870.db2.gz PDFCVNRBAKGMRU-UMVBOHGHSA-N 1 0 264.417 2.191 10 0 CEAERO Cc1cnc(Cl)nc1OC[C@@H]1CCCC[N@H+]1C ZINC000091657924 180219043 /nfs/dbraw/zinc/21/90/43/180219043.db2.gz AXTSYRVZSZZAMV-JTQLQIEISA-N 1 0 255.749 2.302 10 0 CEAERO Cn1ccnc1CC[NH2+][C@H]1CCCc2cccnc21 ZINC000091661269 180219348 /nfs/dbraw/zinc/21/93/48/180219348.db2.gz ZBNVYSSDIOOSHK-ZDUSSCGKSA-N 1 0 256.353 2.025 10 0 CEAERO CN1CCO[C@H](C[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC000091667312 180223373 /nfs/dbraw/zinc/22/33/73/180223373.db2.gz CSPCVFIJTUJYGC-ZJIFWQFVSA-N 1 0 266.429 2.266 10 0 CEAERO CCc1nn(C)c(CC(=O)CC[NH+](CC)CC)c1Cl ZINC000091688117 180226723 /nfs/dbraw/zinc/22/67/23/180226723.db2.gz ZWKGKXOPCCCWDN-UHFFFAOYSA-N 1 0 285.819 2.479 10 0 CEAERO CC[NH2+][C@H]1CCCc2sc([C@H]3CN(C)CCO3)nc21 ZINC000091722553 180239773 /nfs/dbraw/zinc/23/97/73/180239773.db2.gz WQDKGVWAOGCJIM-WDEREUQCSA-N 1 0 281.425 2.133 10 0 CEAERO CC(C)(C)OC(=O)N1CCC(CCO)([NH+]2CCCC2)CC1 ZINC000091692190 180228442 /nfs/dbraw/zinc/22/84/42/180228442.db2.gz HVPDIJBVEGQTAS-UHFFFAOYSA-N 1 0 298.427 2.234 10 0 CEAERO C[C@@H](c1ccccn1)[N@H+](C)C[C@H](O)COC(C)(C)C ZINC000091701971 180230230 /nfs/dbraw/zinc/23/02/30/180230230.db2.gz UOYBYHHGZXEOEX-STQMWFEESA-N 1 0 266.385 2.250 10 0 CEAERO O=C(c1cccc2cnccc21)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091714082 180231637 /nfs/dbraw/zinc/23/16/37/180231637.db2.gz PSZXNYATJZKPPC-CZUORRHYSA-N 1 0 282.343 2.281 10 0 CEAERO CC[NH+](CC)CC[C@H](N)c1cc(Cl)cnc1N ZINC000091715728 180232081 /nfs/dbraw/zinc/23/20/81/180232081.db2.gz RIDJPQSOSXXRHX-NSHDSACASA-N 1 0 256.781 2.049 10 0 CEAERO CC[NH2+][C@@H](Cc1ccccc1Cl)[C@@H]1CN(C)CCO1 ZINC000091718682 180233259 /nfs/dbraw/zinc/23/32/59/180233259.db2.gz MJUWEDAQBJSBFR-GJZGRUSLSA-N 1 0 282.815 2.191 10 0 CEAERO CCC[NH2+][C@@H](c1csc(C)c1)[C@@H]1CN(C)CCO1 ZINC000091719462 180234577 /nfs/dbraw/zinc/23/45/77/180234577.db2.gz QWBKGDCYEUXRGQ-KBPBESRZSA-N 1 0 268.426 2.428 10 0 CEAERO CCc1ccc(C[C@H]([NH3+])[C@H]2CN3CCC[C@@H]3CO2)s1 ZINC000091720719 180236335 /nfs/dbraw/zinc/23/63/35/180236335.db2.gz NZWMZQIWOUTJAX-BYCMXARLSA-N 1 0 280.437 2.044 10 0 CEAERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1ccc(F)cc1Cl ZINC000624235736 350239511 /nfs/dbraw/zinc/23/95/11/350239511.db2.gz ONCWQCBIQHJDAC-HJIKLVIJSA-N 1 0 273.735 2.280 10 0 CEAERO CC[NH2+][C@H](Cc1ccc(C)cc1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721665 180237871 /nfs/dbraw/zinc/23/78/71/180237871.db2.gz SDRSOISBAQTORA-KURKYZTESA-N 1 0 288.435 2.379 10 0 CEAERO CCc1ccc(C(=O)N2CCC([C@@H](C)[NH3+])CC2)o1 ZINC000091762666 180248360 /nfs/dbraw/zinc/24/83/60/180248360.db2.gz NLIXYFMDHVJGJZ-SNVBAGLBSA-N 1 0 250.342 2.041 10 0 CEAERO CCc1ccc(C(=O)N2CCC(CC[NH2+]C)CC2)o1 ZINC000091762822 180248363 /nfs/dbraw/zinc/24/83/63/180248363.db2.gz AEHYPZUXNGUIBX-UHFFFAOYSA-N 1 0 264.369 2.304 10 0 CEAERO CCc1ccc(C(=O)N2C[C@@H](CC)[NH2+]C[C@@H]2CC)o1 ZINC000091762862 180248680 /nfs/dbraw/zinc/24/86/80/180248680.db2.gz LJUKKTBYCPZLJK-NEPJUHHUSA-N 1 0 264.369 2.445 10 0 CEAERO C[C@H](c1ccc(C(=O)[O-])o1)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000091782521 180255021 /nfs/dbraw/zinc/25/50/21/180255021.db2.gz SBUAJOFHEZUXBQ-LLVKDONJSA-N 1 0 280.368 2.312 10 0 CEAERO CC[NH2+][C@H](c1ccc(F)c(F)c1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721831 180240148 /nfs/dbraw/zinc/24/01/48/180240148.db2.gz PMVKATOJQIWMPO-DAXOMENPSA-N 1 0 296.361 2.479 10 0 CEAERO CC[NH2+][C@H](c1cccc(F)c1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721817 180240709 /nfs/dbraw/zinc/24/07/09/180240709.db2.gz PSMAXVSIPCBOCD-OWCLPIDISA-N 1 0 278.371 2.340 10 0 CEAERO CC[NH2+][C@@H]1CCCc2nc([C@@H]3CN(C)CCO3)sc21 ZINC000091722466 180240776 /nfs/dbraw/zinc/24/07/76/180240776.db2.gz SXOIIJBXNRBQRX-PWSUYJOCSA-N 1 0 281.425 2.133 10 0 CEAERO C[C@H]([NH3+])c1cccn1CC(=O)NC1CCCCCC1 ZINC000091800101 180259340 /nfs/dbraw/zinc/25/93/40/180259340.db2.gz SHJYIZZHTLAQQW-LBPRGKRZSA-N 1 0 263.385 2.347 10 0 CEAERO CCN(c1ccc(S(C)(=O)=O)cc1)C1CCC([NH3+])CC1 ZINC000091851257 180272923 /nfs/dbraw/zinc/27/29/23/180272923.db2.gz TYYCCLRMPDBWSZ-UHFFFAOYSA-N 1 0 296.436 2.186 10 0 CEAERO C[N@H+](CC(=O)Nc1ccccc1)C1CCC(=O)CC1 ZINC000091853879 180273352 /nfs/dbraw/zinc/27/33/52/180273352.db2.gz TWICQMZLNTZMIG-UHFFFAOYSA-N 1 0 260.337 2.069 10 0 CEAERO CC(C)OCC[N@H+](C)C1CCC2(CC1)OCCO2 ZINC000091853639 180273563 /nfs/dbraw/zinc/27/35/63/180273563.db2.gz MNKPUYOFHQZWME-UHFFFAOYSA-N 1 0 257.374 2.029 10 0 CEAERO Cc1ccccc1NC(=O)C[N@@H+](C)C1CCC(=O)CC1 ZINC000091854005 180273753 /nfs/dbraw/zinc/27/37/53/180273753.db2.gz YGOZUNMYMXRHCC-UHFFFAOYSA-N 1 0 274.364 2.377 10 0 CEAERO C[C@@H]([NH3+])c1ccn(CC(=O)Nc2ccc(F)cc2)c1 ZINC000091803359 180259808 /nfs/dbraw/zinc/25/98/08/180259808.db2.gz LRSLRBDTGUVLGM-SNVBAGLBSA-N 1 0 261.300 2.286 10 0 CEAERO CC[NH2+][C@H](C)c1ccn(CC(=O)N[C@@H](C)C(C)C)c1 ZINC000091805173 180260111 /nfs/dbraw/zinc/26/01/11/180260111.db2.gz XCTZUYOGGGDGND-QWHCGFSZSA-N 1 0 265.401 2.319 10 0 CEAERO CC[NH2+][C@H](CC)c1ccn(CC(=O)NC(C)(C)C)c1 ZINC000091817316 180263054 /nfs/dbraw/zinc/26/30/54/180263054.db2.gz YAAYDULKKWQWPC-CYBMUJFWSA-N 1 0 265.401 2.463 10 0 CEAERO CCC[C@H]([NH3+])c1ccn(CCCC(=O)N(C)C)c1 ZINC000091821550 180263695 /nfs/dbraw/zinc/26/36/95/180263695.db2.gz KWBOUVYSKNUTEO-ZDUSSCGKSA-N 1 0 251.374 2.156 10 0 CEAERO CCCNC(=O)Cn1ccc([C@H](CCC)[NH2+]CC)c1 ZINC000091822592 180263746 /nfs/dbraw/zinc/26/37/46/180263746.db2.gz NPPAARVBZVGUFM-AWEZNQCLSA-N 1 0 265.401 2.465 10 0 CEAERO CCC[C@@H]([NH2+]C)c1ccn(CC(=O)N(C)C(C)C)c1 ZINC000091822096 180263888 /nfs/dbraw/zinc/26/38/88/180263888.db2.gz OZPCPZBARQPMPT-CQSZACIVSA-N 1 0 265.401 2.416 10 0 CEAERO CCC[NH2+][C@H](CCC)c1ccn(CC(=O)NC)c1 ZINC000091823838 180264141 /nfs/dbraw/zinc/26/41/41/180264141.db2.gz HUGJXSGZDTYRRA-CYBMUJFWSA-N 1 0 251.374 2.075 10 0 CEAERO CC(C)[C@H](O)c1ccn(C[C@@H]2C[N@@H+](C(C)C)CCO2)c1 ZINC000091825366 180264517 /nfs/dbraw/zinc/26/45/17/180264517.db2.gz IOGUZFIWDOIQTB-CVEARBPZSA-N 1 0 280.412 2.287 10 0 CEAERO C[NH2+][C@@H](c1ccn(CCCC(=O)N(C)C)c1)C(C)C ZINC000091827355 180264547 /nfs/dbraw/zinc/26/45/47/180264547.db2.gz WAEUIYRUIDIJPW-OAHLLOKOSA-N 1 0 265.401 2.273 10 0 CEAERO CC[NH2+][C@H](c1ccn(Cc2ncnn2CC)c1)C1CC1 ZINC000091838807 180268416 /nfs/dbraw/zinc/26/84/16/180268416.db2.gz ZUQMHXDGMWLNSP-HNNXBMFYSA-N 1 0 273.384 2.208 10 0 CEAERO COc1cccc(OC)c1C(=O)N(C)C1CCC([NH3+])CC1 ZINC000091845385 180270631 /nfs/dbraw/zinc/27/06/31/180270631.db2.gz UFHKEZFEJVQLDV-UHFFFAOYSA-N 1 0 292.379 2.046 10 0 CEAERO CCN(C(=O)[C@@H]1COc2ccccc21)C1CCC([NH3+])CC1 ZINC000091850128 180272095 /nfs/dbraw/zinc/27/20/95/180272095.db2.gz MBTULBNVOFLQFI-SSDMNJCBSA-N 1 0 288.391 2.281 10 0 CEAERO CCN(C(=O)c1ccccc1O)C1CCC([NH3+])CC1 ZINC000091850180 180272235 /nfs/dbraw/zinc/27/22/35/180272235.db2.gz CSXAEIDXLGPPCZ-UHFFFAOYSA-N 1 0 262.353 2.124 10 0 CEAERO CCCn1cncc1[C@H](O)C1(C[NH3+])Cc2ccccc2C1 ZINC000091926432 180287747 /nfs/dbraw/zinc/28/77/47/180287747.db2.gz BNGSDNAKHDBGTO-INIZCTEOSA-N 1 0 285.391 2.070 10 0 CEAERO CC(C)C1CCC(C[NH3+])([C@@H](O)c2cncn2C)CC1 ZINC000091926045 180287762 /nfs/dbraw/zinc/28/77/62/180287762.db2.gz MNILFBYLPAYSSU-BLZCZZARSA-N 1 0 265.401 2.245 10 0 CEAERO CCn1cncc1[C@@H](O)[C@]1(C[NH3+])CCCc2ccccc21 ZINC000091926162 180287786 /nfs/dbraw/zinc/28/77/86/180287786.db2.gz POMMJZBAZYRXIS-SJORKVTESA-N 1 0 285.391 2.169 10 0 CEAERO CO[C@@H]1C[NH2+][C@@H](c2nc3ccc(F)cc3s2)C1 ZINC000091939640 180289101 /nfs/dbraw/zinc/28/91/01/180289101.db2.gz GMYGYEIFAXETHE-WCBMZHEXSA-N 1 0 252.314 2.485 10 0 CEAERO CCN(CC)C(=O)N(CC)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000091962184 180293010 /nfs/dbraw/zinc/29/30/10/180293010.db2.gz IDKRCXIMBOKQIK-CHWSQXEVSA-N 1 0 255.406 2.288 10 0 CEAERO CCN(C(=O)N1CCCC1)[C@@]1(C[NH3+])CCC[C@H](C)C1 ZINC000091963105 180293333 /nfs/dbraw/zinc/29/33/33/180293333.db2.gz LWHVHJSUAOGYTJ-ZFWWWQNUSA-N 1 0 267.417 2.432 10 0 CEAERO NC(=[NH2+])c1cc(NC(=O)N2CCCCC2)ccc1F ZINC000091969879 180294884 /nfs/dbraw/zinc/29/48/84/180294884.db2.gz NJQHQJCUNMKEBM-UHFFFAOYSA-N 1 0 264.304 2.128 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)Cc2ccsc2)CC1 ZINC000091872309 180277900 /nfs/dbraw/zinc/27/79/00/180277900.db2.gz NLXXJJNSZRXWFN-UHFFFAOYSA-N 1 0 266.410 2.280 10 0 CEAERO CC(C)N1C(=O)C[C@H]([NH2+]C(C)(C)CC(C)(C)C)C1=O ZINC000105647779 186066893 /nfs/dbraw/zinc/06/68/93/186066893.db2.gz DAOLATZKIYMLFW-NSHDSACASA-N 1 0 268.401 2.327 10 0 CEAERO CC[C@](C)(C[NH3+])[C@H](O)c1cc(OC)ccc1OC ZINC000091908840 180284543 /nfs/dbraw/zinc/28/45/43/180284543.db2.gz AENOJZPBFIPARJ-ZIAGYGMSSA-N 1 0 253.342 2.112 10 0 CEAERO Cc1ccc([C@@H](O)[C@@]2(C[NH3+])CCOc3ccccc32)o1 ZINC000091909186 180284575 /nfs/dbraw/zinc/28/45/75/180284575.db2.gz NIJZVWWRRILTLD-HZPDHXFCSA-N 1 0 273.332 2.301 10 0 CEAERO CC[C@@](C)(C[NH3+])[C@@H](O)c1cc2c(c(Cl)c1)OCO2 ZINC000091909943 180284580 /nfs/dbraw/zinc/28/45/80/180284580.db2.gz DLWROURKVYHWEY-STQMWFEESA-N 1 0 271.744 2.477 10 0 CEAERO [NH3+]C[C@@]1([C@H](O)c2ccccc2)CCOc2ccccc21 ZINC000091909502 180284619 /nfs/dbraw/zinc/28/46/19/180284619.db2.gz YKQHROXCSMTMCY-SJORKVTESA-N 1 0 269.344 2.399 10 0 CEAERO Cc1ccc([C@H](O)[C@]2(C[NH3+])COc3ccccc3C2)o1 ZINC000091909205 180284698 /nfs/dbraw/zinc/28/46/98/180284698.db2.gz NXNVXPZLOUMKDH-JKSUJKDBSA-N 1 0 273.332 2.202 10 0 CEAERO COc1ccc2cc([C@@H](O)[C@@]3(C[NH3+])CCOC3)ccc2c1 ZINC000091911752 180285162 /nfs/dbraw/zinc/28/51/62/180285162.db2.gz HAHGRXDNRRNILK-IAGOWNOFSA-N 1 0 287.359 2.247 10 0 CEAERO CC[C@](C)(C[NH3+])[C@H](O)c1cc(OC)c(OC)cc1OC ZINC000091910960 180285205 /nfs/dbraw/zinc/28/52/05/180285205.db2.gz JMOZAJFHDJSHLG-HUUCEWRRSA-N 1 0 283.368 2.121 10 0 CEAERO C[C@@H](C[C@H](O)C1(C[NH3+])CCOCC1)c1ccccc1 ZINC000091913786 180285207 /nfs/dbraw/zinc/28/52/07/180285207.db2.gz BHBGFILIXBHLGM-ZFWWWQNUSA-N 1 0 263.381 2.297 10 0 CEAERO CCC1CCC(C[NH3+])([C@H](O)[C@@H]2CCCOC2)CC1 ZINC000091913622 180285377 /nfs/dbraw/zinc/28/53/77/180285377.db2.gz YITYFMWPGRMCHF-PIOWNMBXSA-N 1 0 255.402 2.319 10 0 CEAERO CCCC1CCC(C[NH3+])([C@@H](O)c2ccncn2)CC1 ZINC000091918332 180286840 /nfs/dbraw/zinc/28/68/40/180286840.db2.gz HVHYRYHFDAVNML-BLZCZZARSA-N 1 0 263.385 2.445 10 0 CEAERO CC(C)C1CCC(C[NH3+])([C@]2(O)CCCOC2)CC1 ZINC000091919163 180286927 /nfs/dbraw/zinc/28/69/27/180286927.db2.gz WEKUKWVKZTZOAA-NRXISQOPSA-N 1 0 255.402 2.319 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H](C)c2ccccc2C)C1 ZINC000092052403 180312801 /nfs/dbraw/zinc/31/28/01/180312801.db2.gz VCMFMMAULWZTKL-LSDHHAIUSA-N 1 0 262.397 2.366 10 0 CEAERO C[C@H]([NH3+])c1cc(Cl)ccc1OC[C@H]1CN(C)CCO1 ZINC000092054406 180313974 /nfs/dbraw/zinc/31/39/74/180313974.db2.gz IUROUQMIUBUNEH-CMPLNLGQSA-N 1 0 284.787 2.069 10 0 CEAERO CN1CCO[C@@H](COc2ccc3ccccc3c2C[NH3+])C1 ZINC000092054304 180314403 /nfs/dbraw/zinc/31/44/03/180314403.db2.gz BKRYLVVBFZXANP-CQSZACIVSA-N 1 0 286.375 2.008 10 0 CEAERO CCC1CCC(C[NH2+]C[C@H]2CN(C)CCO2)CC1 ZINC000092055475 180314638 /nfs/dbraw/zinc/31/46/38/180314638.db2.gz XQQIAHHCCCWYTI-NRXISQOPSA-N 1 0 254.418 2.123 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccccc1OC[C@H]1CN(CC)CCO1 ZINC000092060634 180315218 /nfs/dbraw/zinc/31/52/18/180315218.db2.gz QBPRMWONHCROPC-HZPDHXFCSA-N 1 0 292.423 2.066 10 0 CEAERO [NH3+]CC[C@H]1CCCCN1C(=O)N1CCCCCC1 ZINC000091971648 180295422 /nfs/dbraw/zinc/29/54/22/180295422.db2.gz HEVRXLPKNNSBQQ-CYBMUJFWSA-N 1 0 253.390 2.186 10 0 CEAERO CCN(C(=O)N1CCC[C@H](C)C1)[C@](C)(CC)C[NH3+] ZINC000091972930 180295953 /nfs/dbraw/zinc/29/59/53/180295953.db2.gz LOVURJQMGDDUHM-GXTWGEPZSA-N 1 0 255.406 2.288 10 0 CEAERO C[C@H]1CCCN(C(=O)N(CC[NH3+])Cc2ccccc2)C1 ZINC000091972711 180296110 /nfs/dbraw/zinc/29/61/10/180296110.db2.gz NHBFKAUCVXWFPX-AWEZNQCLSA-N 1 0 275.396 2.299 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)N2CCC[C@H](C)C2)CC1 ZINC000091972089 180296256 /nfs/dbraw/zinc/29/62/56/180296256.db2.gz WEALDOVCYGBZIF-HSBZDZAISA-N 1 0 267.417 2.301 10 0 CEAERO CCCN(C(=O)N1CCC[C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000091973079 180296927 /nfs/dbraw/zinc/29/69/27/180296927.db2.gz UWAXIBIPIGHGSN-UONOGXRCSA-N 1 0 267.417 2.302 10 0 CEAERO C[C@@H]1CCCN(C(=O)Nc2nc3c(s2)C[NH2+]CC3)C1 ZINC000091990534 180299850 /nfs/dbraw/zinc/29/98/50/180299850.db2.gz VQGXENKVBVFRBI-SECBINFHSA-N 1 0 280.397 2.053 10 0 CEAERO C[C@@H]1CCCN(C(=O)N2CCC[C@@H]2CCC[NH3+])C1 ZINC000091993192 180300360 /nfs/dbraw/zinc/30/03/60/180300360.db2.gz BYOFQFAMPJRBIU-OLZOCXBDSA-N 1 0 253.390 2.042 10 0 CEAERO C[C@@H]1CCCN(C(=O)N(CC[NH3+])C2CCCCC2)C1 ZINC000091993147 180300461 /nfs/dbraw/zinc/30/04/61/180300461.db2.gz ZDKDDNQGUALMRF-CYBMUJFWSA-N 1 0 267.417 2.432 10 0 CEAERO COC(=O)CCOc1ccc(C)nc1C[NH2+]CC(C)C ZINC000091996295 180301781 /nfs/dbraw/zinc/30/17/81/180301781.db2.gz QWDNMDUNUOTKPQ-UHFFFAOYSA-N 1 0 280.368 2.078 10 0 CEAERO CCC[NH2+]Cc1nc(C)ccc1OCCC(=O)NC(C)C ZINC000091995216 180301837 /nfs/dbraw/zinc/30/18/37/180301837.db2.gz MFLIDASNQCKWLN-UHFFFAOYSA-N 1 0 293.411 2.183 10 0 CEAERO CCNC(=O)[C@H](C)Oc1ccc(C)nc1C[NH2+]C(C)(C)C ZINC000091996059 180302029 /nfs/dbraw/zinc/30/20/29/180302029.db2.gz GTMVWLIOADBIQP-LBPRGKRZSA-N 1 0 293.411 2.182 10 0 CEAERO CCC[NH2+]CCn1nnnc1SC/C(Cl)=C/Cl ZINC000092026224 180308650 /nfs/dbraw/zinc/30/86/50/180308650.db2.gz AXKKULMDNQXWQH-VURMDHGXSA-N 1 0 296.227 2.084 10 0 CEAERO CCOC(C[NH2+]Cc1ccc(F)c(F)c1)OCC ZINC000105762881 186070706 /nfs/dbraw/zinc/07/07/06/186070706.db2.gz JAABAPGYWCNVSW-UHFFFAOYSA-N 1 0 259.296 2.454 10 0 CEAERO CCOCc1ccccc1NC(=O)[C@H](C)C[NH2+]C ZINC000092132834 180330642 /nfs/dbraw/zinc/33/06/42/180330642.db2.gz ASEVYEXONNTBPP-LLVKDONJSA-N 1 0 250.342 2.017 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)N(Cc1ccco1)Cc1ccco1 ZINC000092134130 180331782 /nfs/dbraw/zinc/33/17/82/180331782.db2.gz DAKHCGNNOLUTJR-GFCCVEGCSA-N 1 0 276.336 2.257 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)N(C)[C@@H](C)c1ccccc1OC ZINC000092134387 180332035 /nfs/dbraw/zinc/33/20/35/180332035.db2.gz FLFCIYZWWVKTCY-RYUDHWBXSA-N 1 0 264.369 2.070 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)N(CC(F)(F)F)[C@H](C)C1CC1 ZINC000092134315 180332042 /nfs/dbraw/zinc/33/20/42/180332042.db2.gz UDEJMIUPKHAGNU-DTWKUNHWSA-N 1 0 266.307 2.031 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)N(C)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000092134236 180332052 /nfs/dbraw/zinc/33/20/52/180332052.db2.gz XANDDNWOSQTLJN-GMXVVIOVSA-N 1 0 264.369 2.217 10 0 CEAERO C[NH2+]C[C@H](C)c1c(C)nc(C(C)(C)OC)nc1C ZINC000092141038 180333753 /nfs/dbraw/zinc/33/37/53/180333753.db2.gz PFGMNAZPYVPDNH-VIFPVBQESA-N 1 0 251.374 2.298 10 0 CEAERO CC[NH2+]Cc1cnn(-c2cc(F)c(F)c(F)c2)c1 ZINC000092150288 180334095 /nfs/dbraw/zinc/33/40/95/180334095.db2.gz LXUKKGOJXCUJOQ-UHFFFAOYSA-N 1 0 255.243 2.399 10 0 CEAERO CCC[C@H](Cc1nc(C(C)(C)OC)no1)[NH2+]CC ZINC000092141413 180334535 /nfs/dbraw/zinc/33/45/35/180334535.db2.gz TYWCBFUKCLSOOY-SNVBAGLBSA-N 1 0 255.362 2.272 10 0 CEAERO C[C@@H](O)CCc1nc2cc(C[NH3+])ccc2n1C1CC1 ZINC000092150876 180334963 /nfs/dbraw/zinc/33/49/63/180334963.db2.gz MGEVTSCLVLCDLX-SNVBAGLBSA-N 1 0 259.353 2.143 10 0 CEAERO C[C@H]([NH3+])c1cccc(SC[C@@H]2CN(C)CCO2)c1 ZINC000092080085 180318946 /nfs/dbraw/zinc/31/89/46/180318946.db2.gz VIYDFLDUBJJZJF-AAEUAGOBSA-N 1 0 266.410 2.129 10 0 CEAERO C[NH2+][C@@H](CN1C[C@H](C)[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000092084943 180320165 /nfs/dbraw/zinc/32/01/65/180320165.db2.gz WQYMZXJDONCKFR-GUTXKFCHSA-N 1 0 290.407 2.306 10 0 CEAERO Cc1nn(C)c(N2C[C@@H](C)[C@H](C)C2)c1C[NH2+]C(C)C ZINC000092086461 180320219 /nfs/dbraw/zinc/32/02/19/180320219.db2.gz RKZGDPSRNLTYFJ-VXGBXAGGSA-N 1 0 264.417 2.319 10 0 CEAERO C[C@@H]1CN(CC[NH2+]CCc2cccs2)C[C@H]1C ZINC000092089537 180321204 /nfs/dbraw/zinc/32/12/04/180321204.db2.gz RRCOOTFPYKKNBN-CHWSQXEVSA-N 1 0 252.427 2.468 10 0 CEAERO CCN[C@](C)(C[C@H](C)[N@@H+]1C[C@H](C)[C@H](C)C1)C(=O)OCC ZINC000092087466 180321636 /nfs/dbraw/zinc/32/16/36/180321636.db2.gz AYKPVCJHCOPJFP-KNCOVGOOSA-N 1 0 284.444 2.284 10 0 CEAERO C[C@@H]1CN(CC[NH2+]CCc2ccsc2)C[C@H]1C ZINC000092089561 180321675 /nfs/dbraw/zinc/32/16/75/180321675.db2.gz XQLNEJLOGNSTOC-CHWSQXEVSA-N 1 0 252.427 2.468 10 0 CEAERO Cc1ccc(Cl)cc1NC(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092201706 180342781 /nfs/dbraw/zinc/34/27/81/180342781.db2.gz LTFKENRNZPMMRK-GXSJLCMTSA-N 1 0 250.729 2.490 10 0 CEAERO CN(C(=O)/C=C\c1cccc(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000493703118 290898491 /nfs/dbraw/zinc/89/84/91/290898491.db2.gz DLQPZFSYTIBORV-LZNQSLFOSA-N 1 0 276.355 2.439 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2cccc3cnccc32)C1 ZINC000092202625 180343447 /nfs/dbraw/zinc/34/34/47/180343447.db2.gz PECIWZUBAHOJHI-ZYHUDNBSSA-N 1 0 253.305 2.077 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccccc1F ZINC000105872175 186080314 /nfs/dbraw/zinc/08/03/14/186080314.db2.gz GWHWXQLXIVKCIG-GHMZBOCLSA-N 1 0 260.316 2.083 10 0 CEAERO CN(CCOc1ccc(Cl)cc1)C(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092204441 180343602 /nfs/dbraw/zinc/34/36/02/180343602.db2.gz FUJTVFUFWXFWIJ-WCQYABFASA-N 1 0 294.782 2.081 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2ccc(OC(F)F)c(F)c2)C1 ZINC000092204164 180343608 /nfs/dbraw/zinc/34/36/08/180343608.db2.gz KFOKPICWYDYQRP-HTQZYQBOSA-N 1 0 286.253 2.269 10 0 CEAERO CN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1C=C[C@H]([NH3+])C1 ZINC000092204784 180343867 /nfs/dbraw/zinc/34/38/67/180343867.db2.gz XQYAVVRYGZKJIT-YPMHNXCESA-N 1 0 264.756 2.202 10 0 CEAERO Cc1cccc(CN(C(=O)[C@H]2C=C[C@H]([NH3+])C2)C2CC2)c1 ZINC000092204895 180344297 /nfs/dbraw/zinc/34/42/97/180344297.db2.gz DKLZNDNFCRTHRO-GJZGRUSLSA-N 1 0 270.376 2.389 10 0 CEAERO CC[C@H](NC(=O)[C@H]1C=C[C@@H]([NH3+])C1)c1cccs1 ZINC000092206945 180344394 /nfs/dbraw/zinc/34/43/94/180344394.db2.gz PSEWYZLXAKXDDT-AXFHLTTASA-N 1 0 250.367 2.219 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2ccc(Br)c(F)c2)C1 ZINC000092208355 180344930 /nfs/dbraw/zinc/34/49/30/180344930.db2.gz UGDSSCNPJXVYHN-HTQZYQBOSA-N 1 0 299.143 2.430 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccccc1F ZINC000105872172 186080519 /nfs/dbraw/zinc/08/05/19/186080519.db2.gz GWHWXQLXIVKCIG-WDEREUQCSA-N 1 0 260.316 2.083 10 0 CEAERO CSc1ccccc1C(=O)N1CC[C@H](C)[C@H]([NH3+])C1 ZINC000092232210 180348577 /nfs/dbraw/zinc/34/85/77/180348577.db2.gz FKFHXBWLEGQGPM-CMPLNLGQSA-N 1 0 264.394 2.218 10 0 CEAERO CSc1ccc(C(=O)N2C[C@H]3C[NH2+]C[C@@H]3C2(C)C)cc1 ZINC000092232592 180349043 /nfs/dbraw/zinc/34/90/43/180349043.db2.gz WRAHHZCNCALWNM-OCCSQVGLSA-N 1 0 290.432 2.479 10 0 CEAERO CSc1ccccc1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1(C)C ZINC000092232587 180349273 /nfs/dbraw/zinc/34/92/73/180349273.db2.gz HNSNLNLADYIBAN-DGCLKSJQSA-N 1 0 290.432 2.479 10 0 CEAERO CCCN(C(=O)[C@@H]1CSc2ccccc21)C1C[NH2+]C1 ZINC000092239748 180351358 /nfs/dbraw/zinc/35/13/58/180351358.db2.gz ZXQQPOKRRXWNNI-CYBMUJFWSA-N 1 0 276.405 2.086 10 0 CEAERO C[NH2+]CCc1noc([C@H]2CSc3ccccc32)n1 ZINC000092240212 180351545 /nfs/dbraw/zinc/35/15/45/180351545.db2.gz UHBKTWQONAVCIM-JTQLQIEISA-N 1 0 261.350 2.069 10 0 CEAERO C[NH2+]Cc1nnc([C@@H]2CSc3ccccc32)s1 ZINC000092240658 180351637 /nfs/dbraw/zinc/35/16/37/180351637.db2.gz NQQDZMFVCUJCBH-SECBINFHSA-N 1 0 263.391 2.495 10 0 CEAERO C[C@H](C[NH2+]C[C@H]1Cc2ccccc2S1)N(C)C ZINC000092243734 180351773 /nfs/dbraw/zinc/35/17/73/180351773.db2.gz ZWILWMJWBWBTEY-DGCLKSJQSA-N 1 0 250.411 2.243 10 0 CEAERO Cn1ccnc1C[NH2+]C[C@H]1Cc2ccccc2S1 ZINC000092244265 180352116 /nfs/dbraw/zinc/35/21/16/180352116.db2.gz UCMGYFLLMMJCKZ-GFCCVEGCSA-N 1 0 259.378 2.227 10 0 CEAERO CC[NH2+]CCN(C)C[C@@H]1Cc2ccccc2S1 ZINC000092262996 180355114 /nfs/dbraw/zinc/35/51/14/180355114.db2.gz ZGQGBFFYFTYYJI-ZDUSSCGKSA-N 1 0 250.411 2.245 10 0 CEAERO [NH3+]CCc1nccn1C[C@H]1Cc2ccccc2S1 ZINC000092270398 180355828 /nfs/dbraw/zinc/35/58/28/180355828.db2.gz GXBMCNQSYZVFOA-GFCCVEGCSA-N 1 0 259.378 2.101 10 0 CEAERO OC[C@]1(C[C@@H]2Cc3ccccc3S2)CCC[NH2+]C1 ZINC000092273909 180356734 /nfs/dbraw/zinc/35/67/34/180356734.db2.gz TXYGJULPFBJHJX-ZFWWWQNUSA-N 1 0 263.406 2.456 10 0 CEAERO CC(C)([NH3+])c1cn(C[C@@H]2CSc3ccccc32)nn1 ZINC000092292860 180357842 /nfs/dbraw/zinc/35/78/42/180357842.db2.gz HKENOBRKBXOOMY-SNVBAGLBSA-N 1 0 274.393 2.361 10 0 CEAERO [NH3+]CCc1cnn(C[C@@H]2CSc3ccccc32)c1 ZINC000092294703 180358058 /nfs/dbraw/zinc/35/80/58/180358058.db2.gz VTQAUGUKNUIQJR-GFCCVEGCSA-N 1 0 259.378 2.274 10 0 CEAERO C[C@H]1[NH2+]CCCN(C[C@H]2CSc3ccccc32)C1=O ZINC000092292900 180358114 /nfs/dbraw/zinc/35/81/14/180358114.db2.gz MHBYGXLBLQQZSV-NEPJUHHUSA-N 1 0 276.405 2.086 10 0 CEAERO c1ccc2c(c1)OC[C@H]2C[NH2+]CCN1CCCCC1 ZINC000092300366 180358532 /nfs/dbraw/zinc/35/85/32/180358532.db2.gz RXXZZROOFLOVKC-CQSZACIVSA-N 1 0 260.381 2.238 10 0 CEAERO CCC[N@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000105874543 186082022 /nfs/dbraw/zinc/08/20/22/186082022.db2.gz WJPNTDRUEBAYOI-CYBMUJFWSA-N 1 0 268.426 2.463 10 0 CEAERO Cc1cnn(CC[NH2+]Cc2ccc(F)c(F)c2)c1 ZINC000105881316 186082601 /nfs/dbraw/zinc/08/26/01/186082601.db2.gz ZFWVYEOVFKUDEX-UHFFFAOYSA-N 1 0 251.280 2.260 10 0 CEAERO Fc1ccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000105883026 186082841 /nfs/dbraw/zinc/08/28/41/186082841.db2.gz JEKYORSCXIYJJN-CQSZACIVSA-N 1 0 274.343 2.329 10 0 CEAERO [NH3+][C@H]1C=C[C@H](c2nc(Cc3ccc(F)cc3)no2)C1 ZINC000092181358 180338288 /nfs/dbraw/zinc/33/82/88/180338288.db2.gz SVVGJYKNJBRHGE-JQWIXIFHSA-N 1 0 259.284 2.170 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](c2nc(-c3ccc4nccnc4c3)no2)C1 ZINC000092181916 180338712 /nfs/dbraw/zinc/33/87/12/180338712.db2.gz LMCNMHCSLUCMGG-WDEREUQCSA-N 1 0 279.303 2.051 10 0 CEAERO CC[C@@]1(C)CN(C[C@@H]2COc3ccccc32)CC[NH2+]1 ZINC000092307232 180360709 /nfs/dbraw/zinc/36/07/09/180360709.db2.gz NLYYULKXGCCQGT-CJNGLKHVSA-N 1 0 260.381 2.237 10 0 CEAERO Cc1ccc(OC[C@H]2COc3ccccc32)c(CC[NH3+])n1 ZINC000092305126 180360735 /nfs/dbraw/zinc/36/07/35/180360735.db2.gz QTZHVTOXNYVYMP-CYBMUJFWSA-N 1 0 284.359 2.446 10 0 CEAERO CC[NH2+]Cc1cn(C[C@H]2COc3ccccc32)nc1C ZINC000092306687 180359976 /nfs/dbraw/zinc/35/99/76/180359976.db2.gz XVXTXRZHPDCMBO-AWEZNQCLSA-N 1 0 271.364 2.477 10 0 CEAERO Cc1cnn([C@H]2CCC[N@H+](Cc3cccnc3)C2)c1 ZINC000105901206 186087438 /nfs/dbraw/zinc/08/74/38/186087438.db2.gz JDLRVFJFNPAANC-HNNXBMFYSA-N 1 0 256.353 2.424 10 0 CEAERO Cc1noc(C)c1[C@@H](C)[NH2+]C[C@H]1CCCCN1C ZINC000092327796 180362978 /nfs/dbraw/zinc/36/29/78/180362978.db2.gz UXWZEEMVKVOHMT-ZWNOBZJWSA-N 1 0 251.374 2.426 10 0 CEAERO CCN1C(=O)C[C@@H](Nc2ccc([NH+](CC)CC)cc2)C1=O ZINC000106006925 186096323 /nfs/dbraw/zinc/09/63/23/186096323.db2.gz ASNDTVVMKCEBIU-CQSZACIVSA-N 1 0 289.379 2.092 10 0 CEAERO Cc1noc(C)c1[C@@H](C)NC(=O)CC[C@H](C)CC[NH3+] ZINC000092329724 180363479 /nfs/dbraw/zinc/36/34/79/180363479.db2.gz WHLMBUZQJRORMZ-VHSXEESVSA-N 1 0 267.373 2.234 10 0 CEAERO CC[C@H]1CN(Cc2cccc(F)c2)CC[N@@H+]1CCOC ZINC000106115629 186103273 /nfs/dbraw/zinc/10/32/73/186103273.db2.gz MIFJYCGDZVZSLT-INIZCTEOSA-N 1 0 280.387 2.368 10 0 CEAERO Cc1nn(C)c(C)c1Cn1c(N)[nH+]c2cc(F)ccc21 ZINC000092341050 180365755 /nfs/dbraw/zinc/36/57/55/180365755.db2.gz WYUKPNAYOHKCOD-UHFFFAOYSA-N 1 0 273.315 2.156 10 0 CEAERO Cc1nn(C)c(C)c1Cn1cncc1C[NH2+]C(C)(C)C ZINC000092343689 180366394 /nfs/dbraw/zinc/36/63/94/180366394.db2.gz HGWPCAGOGVJWQQ-UHFFFAOYSA-N 1 0 275.400 2.170 10 0 CEAERO Cc1noc(C)c1CN1C[C@@H](C(C)(C)C)[NH2+]C[C@@H]1C ZINC000092342809 180366397 /nfs/dbraw/zinc/36/63/97/180366397.db2.gz GJPGJWXRPIKRRZ-HZMBPMFUSA-N 1 0 265.401 2.500 10 0 CEAERO Cc1cc(NC(=O)[C@](C)([NH3+])c2ccccc2)ccn1 ZINC000092349918 180368280 /nfs/dbraw/zinc/36/82/80/180368280.db2.gz ZOBCXVJWNHLHQI-OAHLLOKOSA-N 1 0 255.321 2.203 10 0 CEAERO C[C@@H]1CC[NH2+]CCN1Cc1ccnc2ccccc12 ZINC000092365852 180368806 /nfs/dbraw/zinc/36/88/06/180368806.db2.gz LXLXYXMTGGNZKY-CYBMUJFWSA-N 1 0 255.365 2.419 10 0 CEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1Cc1cccc(Cl)n1 ZINC000092366936 180369112 /nfs/dbraw/zinc/36/91/12/180369112.db2.gz HNJKJALUSHQIFL-KGYLQXTDSA-N 1 0 265.788 2.165 10 0 CEAERO CN(Cc1cccc(Cl)n1)C[C@H]1CC[N@H+](C)C1 ZINC000092366534 180369149 /nfs/dbraw/zinc/36/91/49/180369149.db2.gz KNINNAIEHLICLZ-NSHDSACASA-N 1 0 253.777 2.119 10 0 CEAERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1Cc1cccc(Cl)n1 ZINC000092366940 180369239 /nfs/dbraw/zinc/36/92/39/180369239.db2.gz BVPGTUSOHTZSSY-ZYHUDNBSSA-N 1 0 265.788 2.165 10 0 CEAERO C[C@@H]1CC[C@H](C[NH3+])CN1Cc1cccc(Cl)n1 ZINC000092366826 180369443 /nfs/dbraw/zinc/36/94/43/180369443.db2.gz DXIYLLFUQMTMOP-GHMZBOCLSA-N 1 0 253.777 2.294 10 0 CEAERO CNc1cccc(C[NH+]2C[C@@H](C)S[C@H](C)C2)n1 ZINC000092371002 180370516 /nfs/dbraw/zinc/37/05/16/180370516.db2.gz NKCKLGGRQTVZTR-GHMZBOCLSA-N 1 0 251.399 2.449 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1cnn(C)c1 ZINC000105896091 186086307 /nfs/dbraw/zinc/08/63/07/186086307.db2.gz TVVHFKIJLBWRTN-AWEZNQCLSA-N 1 0 273.384 2.108 10 0 CEAERO COc1ccc2c(c1)[C@@H](O)[C@@H]([NH+]1CCC(OC)CC1)CC2 ZINC000092387770 180374529 /nfs/dbraw/zinc/37/45/29/180374529.db2.gz FXJFKLDZRXRNNN-DLBZAZTESA-N 1 0 291.391 2.154 10 0 CEAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@@H](Sc1n[nH]c(C)n1)CC2 ZINC000092390060 180375168 /nfs/dbraw/zinc/37/51/68/180375168.db2.gz RDBXKQNYARWJLF-QWHCGFSZSA-N 1 0 290.392 2.229 10 0 CEAERO CCC[S@@](=O)[C@H]1CCc2ccc(OC)cc2[C@@H]1[NH2+]C ZINC000092388863 180375322 /nfs/dbraw/zinc/37/53/22/180375322.db2.gz JBZQSHFCMCMMCX-DOXZYTNZSA-N 1 0 281.421 2.429 10 0 CEAERO C[NH2+][C@H]1c2ccc(Sc3nccc(C)n3)cc2NC1=O ZINC000106896310 186147201 /nfs/dbraw/zinc/14/72/01/186147201.db2.gz MHRVOQLPHYYYJS-LBPRGKRZSA-N 1 0 286.360 2.149 10 0 CEAERO COc1ccc(OC)c([C@@H]2C[NH2+][C@H](C(C)C)CO2)c1 ZINC000092403445 180378442 /nfs/dbraw/zinc/37/84/42/180378442.db2.gz QQFYWKXTWNOKOP-ZFWWWQNUSA-N 1 0 265.353 2.389 10 0 CEAERO Cc1cccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000092431237 180384113 /nfs/dbraw/zinc/38/41/13/180384113.db2.gz IOUCGOBPPLXJOU-ZBFHGGJFSA-N 1 0 259.397 2.354 10 0 CEAERO CC[C@H]1CN(Cc2cc(Cl)ccn2)CC[N@@H+]1C ZINC000092416776 180380881 /nfs/dbraw/zinc/38/08/81/180380881.db2.gz QQWQNWXAUXHXHY-ZDUSSCGKSA-N 1 0 253.777 2.261 10 0 CEAERO C[C@@H]1CCC[C@@H](C[NH3+])N1Cc1cc(Cl)ccn1 ZINC000092417243 180381016 /nfs/dbraw/zinc/38/10/16/180381016.db2.gz VYGSSLZEIOTWIW-MFKMUULPSA-N 1 0 253.777 2.437 10 0 CEAERO COC(=O)CCC[N@H+](C)Cc1cc(Cl)ccn1 ZINC000092417692 180381192 /nfs/dbraw/zinc/38/11/92/180381192.db2.gz NGLACRIYIDKYJG-UHFFFAOYSA-N 1 0 256.733 2.120 10 0 CEAERO CCNc1cc[nH+]c(CN2CCC[C@@H]2C(=O)OCC)c1 ZINC000092418327 180381561 /nfs/dbraw/zinc/38/15/61/180381561.db2.gz RSVWMPUDGPDOIN-CQSZACIVSA-N 1 0 277.368 2.041 10 0 CEAERO C[NH2+]Cc1nc(C)ccc1OCc1cccc(C)n1 ZINC000092427743 180382923 /nfs/dbraw/zinc/38/29/23/180382923.db2.gz JEMHFTNJGILTSH-UHFFFAOYSA-N 1 0 257.337 2.392 10 0 CEAERO C[NH2+]Cc1cc2c(cc1OCc1cccc(C)n1)OCO2 ZINC000092427536 180383850 /nfs/dbraw/zinc/38/38/50/180383850.db2.gz SRKTZTHMDHBORI-UHFFFAOYSA-N 1 0 286.331 2.417 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@@H](N1CCOC(C)(C)C1)CC2 ZINC000092385603 180374012 /nfs/dbraw/zinc/37/40/12/180374012.db2.gz QMVNIVMBBJAHJU-HOTGVXAUSA-N 1 0 290.407 2.121 10 0 CEAERO C[NH2+][C@@H]1c2cc(OC)ccc2CC[C@@H]1OC[C@@H]1CCOC1 ZINC000092386738 180374097 /nfs/dbraw/zinc/37/40/97/180374097.db2.gz PWORUANIJYOTCF-OAUYIBNBSA-N 1 0 291.391 2.324 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@@H](OCCOC(C)C)CC2 ZINC000092386484 180374105 /nfs/dbraw/zinc/37/41/05/180374105.db2.gz DAQSLHUCQYFEGE-HOTGVXAUSA-N 1 0 279.380 2.451 10 0 CEAERO Cc1cccc(CN2CCCC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000092431276 180384388 /nfs/dbraw/zinc/38/43/88/180384388.db2.gz WKRQADONBMQVJY-HOTGVXAUSA-N 1 0 259.397 2.497 10 0 CEAERO C[C@H]1C[C@H]([NH3+])Cn2cc(-c3ccc4c(c3)OCCO4)nc21 ZINC000107827589 186194414 /nfs/dbraw/zinc/19/44/14/186194414.db2.gz BJJNQEBMQHUQKW-JQWIXIFHSA-N 1 0 285.347 2.156 10 0 CEAERO COc1cccc(-c2cn3c(n2)[C@H](C)C[C@H]([NH3+])C3)c1 ZINC000107827669 186194662 /nfs/dbraw/zinc/19/46/62/186194662.db2.gz QAPNXILXFLRADG-PWSUYJOCSA-N 1 0 257.337 2.393 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)n1c(N)nc2cnccc21 ZINC000092513845 180399620 /nfs/dbraw/zinc/39/96/20/180399620.db2.gz ONNVFYHBDKWLBE-LLVKDONJSA-N 1 0 261.373 2.162 10 0 CEAERO CC(C)[NH+](CCn1c(N)nc2cnccc21)C(C)C ZINC000092513550 180399820 /nfs/dbraw/zinc/39/98/20/180399820.db2.gz CXKRHNKIJQMFBS-UHFFFAOYSA-N 1 0 261.373 2.132 10 0 CEAERO C[NH2+][C@H](C(C)C)[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000092598836 180411127 /nfs/dbraw/zinc/41/11/27/180411127.db2.gz ODXLJUUQIIRFOX-IUODEOHRSA-N 1 0 298.452 2.284 10 0 CEAERO CC(C)N1C(=O)C[C@@H]([NH2+][C@@H]2CCCc3sccc32)C1=O ZINC000108291573 186210662 /nfs/dbraw/zinc/21/06/62/186210662.db2.gz HPDJSIXMKHEAIA-VXGBXAGGSA-N 1 0 292.404 2.251 10 0 CEAERO OC1(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)CCCCC1 ZINC000109122240 186244662 /nfs/dbraw/zinc/24/46/62/186244662.db2.gz QTZXDJLMIQIQPF-UONOGXRCSA-N 1 0 253.386 2.325 10 0 CEAERO C[C@H]1CCC[C@@](CNc2cn[nH]c(=O)c2Cl)([NH+](C)C)C1 ZINC000108643666 186225067 /nfs/dbraw/zinc/22/50/67/186225067.db2.gz BCKCVXZBZWPYTO-IINYFYTJSA-N 1 0 298.818 2.346 10 0 CEAERO CNC(=O)[C@H](C)[NH2+]Cc1c[nH]c2cc(Cl)ccc12 ZINC000108648256 186225279 /nfs/dbraw/zinc/22/52/79/186225279.db2.gz AELPNRXWIMWCDL-QMMMGPOBSA-N 1 0 265.744 2.045 10 0 CEAERO CNC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000109005106 186239698 /nfs/dbraw/zinc/23/96/98/186239698.db2.gz RFRAJELLADWNCM-MRXNPFEDSA-N 1 0 298.390 2.117 10 0 CEAERO CC[NH2+][C@@H](Cc1nc(-c2cccnc2)no1)C1CC1 ZINC000109495509 186256707 /nfs/dbraw/zinc/25/67/07/186256707.db2.gz ACIYQRRWZFVLFU-LBPRGKRZSA-N 1 0 258.325 2.062 10 0 CEAERO CC[NH2+][C@H](Cc1nc(C[C@@H]2CCCO2)no1)C(C)(C)C ZINC000109495684 186257070 /nfs/dbraw/zinc/25/70/70/186257070.db2.gz IPYOZINHKPBQPS-NWDGAFQWSA-N 1 0 281.400 2.358 10 0 CEAERO CCC[NH2+][C@H](Cc1nc(-c2ccncc2)no1)C1CC1 ZINC000109498585 186257142 /nfs/dbraw/zinc/25/71/42/186257142.db2.gz JTKLGFNRCIOGDG-CYBMUJFWSA-N 1 0 272.352 2.452 10 0 CEAERO CC[NH2+]C1CCC(c2nc(-c3ncccn3)no2)CC1 ZINC000109505534 186257304 /nfs/dbraw/zinc/25/73/04/186257304.db2.gz XHWXCTGFUWOKGM-UHFFFAOYSA-N 1 0 273.340 2.162 10 0 CEAERO CCC[NH2+][C@H]1CCCCC[C@H]1c1nc(-c2nc[nH]n2)no1 ZINC000109499966 186257481 /nfs/dbraw/zinc/25/74/81/186257481.db2.gz QEGAAXDPCCUXML-MNOVXSKESA-N 1 0 290.371 2.271 10 0 CEAERO C[NH2+][C@H]1CCCCC[C@H]1c1nc(-c2cnccn2)no1 ZINC000109507034 186257606 /nfs/dbraw/zinc/25/76/06/186257606.db2.gz ZPTPONJGEFLABK-MNOVXSKESA-N 1 0 273.340 2.162 10 0 CEAERO C[NH2+][C@@H](Cc1nc(-c2cccc(F)c2)no1)C1CC1 ZINC000109504528 186257807 /nfs/dbraw/zinc/25/78/07/186257807.db2.gz DUDUVSUHODIHRW-LBPRGKRZSA-N 1 0 261.300 2.416 10 0 CEAERO C[NH2+][C@H]1CCC[C@@H]1c1nc(Cc2csc(C)n2)no1 ZINC000109511437 186258089 /nfs/dbraw/zinc/25/80/89/186258089.db2.gz YGWMJHLCBJQVOI-QWRGUYRKSA-N 1 0 278.381 2.281 10 0 CEAERO [NH3+][C@H]1CCCCC[C@@H]1c1nc(Cc2ccncc2)no1 ZINC000109508927 186258593 /nfs/dbraw/zinc/25/85/93/186258593.db2.gz GQZWCJJYYFTHPL-STQMWFEESA-N 1 0 272.352 2.430 10 0 CEAERO CC[NH2+][C@@H](C)[C@H](C)c1nc(CC(F)(F)F)no1 ZINC000109517401 186259363 /nfs/dbraw/zinc/25/93/63/186259363.db2.gz CEWQPQUQYNPZAU-BQBZGAKWSA-N 1 0 251.252 2.276 10 0 CEAERO COc1ccc(-c2nc(C3CC3)cc(NN)[nH+]2)c(OC)c1 ZINC000109528216 186260096 /nfs/dbraw/zinc/26/00/96/186260096.db2.gz OAKKPGMPJPSHKX-UHFFFAOYSA-N 1 0 286.335 2.324 10 0 CEAERO CC(C)=CCN1CCC([NH2+][C@@H]2CCCOC2)CC1 ZINC000109545513 186261398 /nfs/dbraw/zinc/26/13/98/186261398.db2.gz ZQNMMEZHZWADPC-OAHLLOKOSA-N 1 0 252.402 2.186 10 0 CEAERO CCOC(=O)C[C@H](C)[NH2+]Cc1ccc(OC)cc1OC ZINC000109554101 186263124 /nfs/dbraw/zinc/26/31/24/186263124.db2.gz MDXBLXAQRLGGBR-NSHDSACASA-N 1 0 281.352 2.135 10 0 CEAERO Cc1nnc(Sc2cccc(Cl)c2C[NH3+])n1C ZINC000109686456 186268660 /nfs/dbraw/zinc/26/86/60/186268660.db2.gz GUFZUYSSPCFWNV-UHFFFAOYSA-N 1 0 268.773 2.387 10 0 CEAERO C[C@H]1CCCC[C@H]1NC(=S)N1CCC[C@@H]1C[NH+](C)C ZINC000109670922 186268776 /nfs/dbraw/zinc/26/87/76/186268776.db2.gz XKULJINOMANIGW-BFHYXJOUSA-N 1 0 283.485 2.466 10 0 CEAERO COc1ccc(NC(=S)N2CCC[C@H]2C[NH+](C)C)cc1 ZINC000109670931 186269203 /nfs/dbraw/zinc/26/92/03/186269203.db2.gz ZRIAWPGJYOUIFY-ZDUSSCGKSA-N 1 0 293.436 2.418 10 0 CEAERO CCC(CC)N1C(=O)C[C@H]([NH2+][C@@H]2CCC[C@@H]2C)C1=O ZINC000109365079 186250403 /nfs/dbraw/zinc/25/04/03/186250403.db2.gz OFLKMYRUDZJBST-UHTWSYAYSA-N 1 0 266.385 2.081 10 0 CEAERO Nc1cccc(F)c1C[N@@H+]1CCC[C@@H]1CCCO ZINC000109427815 186251247 /nfs/dbraw/zinc/25/12/47/186251247.db2.gz AIDDMUKMWMMORN-LLVKDONJSA-N 1 0 252.333 2.145 10 0 CEAERO Cc1cc([C@H](C)[NH2+]CCc2nncn2C)c(C)s1 ZINC000109421571 186251615 /nfs/dbraw/zinc/25/16/15/186251615.db2.gz NSCFRPAJIIDETQ-JTQLQIEISA-N 1 0 264.398 2.387 10 0 CEAERO C[C@H]1C[C@H]([NH2+]CCc2nncn2C)CC(C)(C)C1 ZINC000109420771 186251911 /nfs/dbraw/zinc/25/19/11/186251911.db2.gz BUPJWGDFVNTZRG-RYUDHWBXSA-N 1 0 250.390 2.162 10 0 CEAERO Cc1cc(-c2csc(CN3CC[NH2+]CC3)n2)c(C)o1 ZINC000109432485 186252327 /nfs/dbraw/zinc/25/23/27/186252327.db2.gz VJDIJMQVDACYQM-UHFFFAOYSA-N 1 0 277.393 2.425 10 0 CEAERO c1ccc2c(c1)CCc1sc(CN3CC[NH2+]CC3)nc1-2 ZINC000109432368 186252364 /nfs/dbraw/zinc/25/23/64/186252364.db2.gz GEONNXGYNGTZOM-UHFFFAOYSA-N 1 0 285.416 2.314 10 0 CEAERO CCC[C@@H](c1noc(C(C)(C)C)n1)N1CC[NH2+]CC1 ZINC000109475075 186254892 /nfs/dbraw/zinc/25/48/92/186254892.db2.gz SXUHICIZTDJHEF-NSHDSACASA-N 1 0 266.389 2.114 10 0 CEAERO CCC[C@@H](C)CN1CC[NH+](C(C)(C)C(N)=S)CC1 ZINC000109470817 186254962 /nfs/dbraw/zinc/25/49/62/186254962.db2.gz AYMSYFVXPBHHOR-GFCCVEGCSA-N 1 0 271.474 2.105 10 0 CEAERO CC[C@H](c1noc(C2CCCCC2)n1)N1CC[NH2+]CC1 ZINC000109474592 186254978 /nfs/dbraw/zinc/25/49/78/186254978.db2.gz RAUKYAPNYHTCAY-CYBMUJFWSA-N 1 0 278.400 2.474 10 0 CEAERO CCCCCN1CC[NH+]([C@H](CCC)C(N)=S)CC1 ZINC000109470315 186255010 /nfs/dbraw/zinc/25/50/10/186255010.db2.gz FGZMTOLHVHQILE-CYBMUJFWSA-N 1 0 271.474 2.249 10 0 CEAERO CC(C)(c1noc(-c2ccccc2F)n1)N1CC[NH2+]CC1 ZINC000109475320 186255096 /nfs/dbraw/zinc/25/50/96/186255096.db2.gz XPAAGGREEKPEBV-UHFFFAOYSA-N 1 0 290.342 2.016 10 0 CEAERO Cc1cccc(-c2nc(C(C)(C)N3CC[NH2+]CC3)no2)c1 ZINC000109475348 186255136 /nfs/dbraw/zinc/25/51/36/186255136.db2.gz LPHSQAPVHCTSGH-UHFFFAOYSA-N 1 0 286.379 2.185 10 0 CEAERO CCC[C@H](c1nc(C)c(C)c(C)n1)N1CC[NH2+]CC1 ZINC000109476100 186255275 /nfs/dbraw/zinc/25/52/75/186255275.db2.gz RQHZTNCCPBGNLL-CQSZACIVSA-N 1 0 262.401 2.148 10 0 CEAERO CC(C)(c1nccc(C2CCCC2)n1)N1CC[NH2+]CC1 ZINC000109476163 186255333 /nfs/dbraw/zinc/25/53/33/186255333.db2.gz WWWOOEWKLPFMMP-UHFFFAOYSA-N 1 0 274.412 2.275 10 0 CEAERO O=c1ccccn1CC[NH2+]Cc1ccc(Cl)cc1 ZINC000110056533 186284071 /nfs/dbraw/zinc/28/40/71/186284071.db2.gz PVUHGXRSFLPCQQ-UHFFFAOYSA-N 1 0 262.740 2.292 10 0 CEAERO Cc1nnc(S[C@H](c2ccccc2)[C@H](C)[NH3+])n1C ZINC000110353361 186293638 /nfs/dbraw/zinc/29/36/38/186293638.db2.gz ZCMXTCPHINTPMM-CABZTGNLSA-N 1 0 262.382 2.304 10 0 CEAERO CCC[C@H](Cc1nc(CC(F)(F)F)no1)[NH2+]C ZINC000110444980 186296061 /nfs/dbraw/zinc/29/60/61/186296061.db2.gz YIGUFKBWUIQORF-SSDOTTSWSA-N 1 0 251.252 2.105 10 0 CEAERO COCC[N@H+](Cc1ccc(C(=O)OC)cc1)C(C)C ZINC000110450977 186296990 /nfs/dbraw/zinc/29/69/90/186296990.db2.gz NVRKWOLIHNPUGK-UHFFFAOYSA-N 1 0 265.353 2.330 10 0 CEAERO CC[C@H](c1nc(CC(F)(F)F)no1)[C@@H](C)[NH2+]C ZINC000110461361 186297070 /nfs/dbraw/zinc/29/70/70/186297070.db2.gz YLICIXJTYRIAKV-RQJHMYQMSA-N 1 0 251.252 2.276 10 0 CEAERO CC[NH2+][C@@H](CC)[C@H](C)c1nc(-c2ncccn2)no1 ZINC000110470030 186298022 /nfs/dbraw/zinc/29/80/22/186298022.db2.gz WPPMZSLHZXVMRG-UWVGGRQHSA-N 1 0 261.329 2.018 10 0 CEAERO CC[C@@H]([NH2+]C)[C@H](C)c1nc(Cc2ccncc2)no1 ZINC000110470189 186298033 /nfs/dbraw/zinc/29/80/33/186298033.db2.gz FKEGLEBFONHYKA-CMPLNLGQSA-N 1 0 260.341 2.157 10 0 CEAERO CCc1nc(-c2ccc(O)c(OC)c2)[nH+]c(NN)c1C ZINC000110477678 186299638 /nfs/dbraw/zinc/29/96/38/186299638.db2.gz RNPIHZJVZACFGI-UHFFFAOYSA-N 1 0 274.324 2.014 10 0 CEAERO CCOc1ccc([C@@H](CO[C@H]2CCOC2)[NH2+]C)cc1 ZINC000110526683 186300653 /nfs/dbraw/zinc/30/06/53/186300653.db2.gz HATPPLABERNPRM-LSDHHAIUSA-N 1 0 265.353 2.151 10 0 CEAERO CC[C@H]([NH3+])[C@@H](O[C@@H]1CCOC1)c1ccccc1F ZINC000110525793 186300781 /nfs/dbraw/zinc/30/07/81/186300781.db2.gz YLDQTRIZGTXKBS-SWHYSGLUSA-N 1 0 253.317 2.410 10 0 CEAERO CCOc1ccc([C@H](CO[C@@H]2CCOC2)[NH2+]C)cc1 ZINC000110526679 186300871 /nfs/dbraw/zinc/30/08/71/186300871.db2.gz HATPPLABERNPRM-CABCVRRESA-N 1 0 265.353 2.151 10 0 CEAERO COc1cc(F)ccc1NC(=O)Cc1ccc(C[NH3+])cc1 ZINC000110612925 186304874 /nfs/dbraw/zinc/30/48/74/186304874.db2.gz JMGWIQIRRIKFQF-UHFFFAOYSA-N 1 0 288.322 2.474 10 0 CEAERO Cc1ccc(NC(=O)Cc2ccc(C[NH3+])cc2)nc1 ZINC000110611912 186305212 /nfs/dbraw/zinc/30/52/12/186305212.db2.gz FYGSTCHNOOJDAO-UHFFFAOYSA-N 1 0 255.321 2.030 10 0 CEAERO COc1ccc(NC(=O)Cc2ccc(C[NH3+])cc2)cc1 ZINC000110611666 186306057 /nfs/dbraw/zinc/30/60/57/186306057.db2.gz VOGZZQQISGBKJC-UHFFFAOYSA-N 1 0 270.332 2.335 10 0 CEAERO NC(=O)c1cc(Cl)ccc1NCC[C@H]1CCC[NH2+]C1 ZINC000110793746 186325459 /nfs/dbraw/zinc/32/54/59/186325459.db2.gz UCZQSAFGMRNOAT-SNVBAGLBSA-N 1 0 281.787 2.241 10 0 CEAERO COc1ccc([C@@H](C[NH3+])N2CCCC2)c(Cl)c1OC ZINC000110827306 186327749 /nfs/dbraw/zinc/32/77/49/186327749.db2.gz ZTWVGZMQYFKIFY-LLVKDONJSA-N 1 0 284.787 2.453 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1cnn(C)c1)N(C)CC1CCCC1 ZINC000110832407 186328196 /nfs/dbraw/zinc/32/81/96/186328196.db2.gz BATBPFXVHRWESF-LSDHHAIUSA-N 1 0 264.417 2.321 10 0 CEAERO C[NH2+]Cc1ccc(S(=O)(=O)N(C)CC2CCCC2)cc1 ZINC000110846612 186328385 /nfs/dbraw/zinc/32/83/85/186328385.db2.gz IUIUAUHVLBAVJC-UHFFFAOYSA-N 1 0 296.436 2.217 10 0 CEAERO CC[C@]1(C(=O)N(C)CC2CCCC2)CCC[NH2+]C1 ZINC000110843651 186329072 /nfs/dbraw/zinc/32/90/72/186329072.db2.gz DXZJBQDPIPHAMI-HNNXBMFYSA-N 1 0 252.402 2.415 10 0 CEAERO CN(Cc1noc(-c2ccc(F)cc2)n1)[C@@H]1CCC[NH2+]C1 ZINC000110930089 186333513 /nfs/dbraw/zinc/33/35/13/186333513.db2.gz XVCPBJNYIPSWEI-CYBMUJFWSA-N 1 0 290.342 2.060 10 0 CEAERO C[NH2+]Cc1c(Oc2ccccc2CO)nc2sccn21 ZINC000110994319 186341550 /nfs/dbraw/zinc/34/15/50/186341550.db2.gz NBLCJEKTDXTKLZ-UHFFFAOYSA-N 1 0 289.360 2.400 10 0 CEAERO CCN(Cc1ccc(OC)cc1OC)[C@H]1CCC[NH2+]C1 ZINC000110935899 186334507 /nfs/dbraw/zinc/33/45/07/186334507.db2.gz RBNTVWWJSSAYBL-AWEZNQCLSA-N 1 0 278.396 2.278 10 0 CEAERO CCCN(Cc1ccc2c(c1)OCO2)[C@@H]1CCC[NH2+]C1 ZINC000110939084 186334558 /nfs/dbraw/zinc/33/45/58/186334558.db2.gz LRWZZXJTZGCEPU-CQSZACIVSA-N 1 0 276.380 2.379 10 0 CEAERO CCN(C(=O)c1ccc2ccccc2n1)[C@H]1CCC[NH2+]C1 ZINC000110939883 186334879 /nfs/dbraw/zinc/33/48/79/186334879.db2.gz RDPKPVKRVLOHAY-AWEZNQCLSA-N 1 0 283.375 2.449 10 0 CEAERO CCN(Cc1ccc2c(c1)OCCCO2)[C@H]1CCC[NH2+]C1 ZINC000110935979 186335112 /nfs/dbraw/zinc/33/51/12/186335112.db2.gz TZYHQJKGGCWFEG-HNNXBMFYSA-N 1 0 290.407 2.422 10 0 CEAERO CCN(CC(=O)N(CC(C)C)CC(C)C)[C@@H]1CCC[NH2+]C1 ZINC000110944717 186335355 /nfs/dbraw/zinc/33/53/55/186335355.db2.gz PRTFVNKTRXRWTE-MRXNPFEDSA-N 1 0 297.487 2.201 10 0 CEAERO CC[C@@H](C)NC(=O)[C@H](C)n1c(CC[NH3+])nc2ccccc21 ZINC000110948837 186335384 /nfs/dbraw/zinc/33/53/84/186335384.db2.gz FXQUUCWHBPXUOG-NEPJUHHUSA-N 1 0 288.395 2.013 10 0 CEAERO [NH3+]CCc1nc2ccccc2n1CCc1ccccn1 ZINC000110949012 186335682 /nfs/dbraw/zinc/33/56/82/186335682.db2.gz SLHSVHVFDKDHBY-UHFFFAOYSA-N 1 0 266.348 2.175 10 0 CEAERO CCCN(Cc1csc(NC(C)=O)n1)[C@H]1CCC[NH2+]C1 ZINC000110946301 186335854 /nfs/dbraw/zinc/33/58/54/186335854.db2.gz FWDDURYLZVYIJO-ZDUSSCGKSA-N 1 0 296.440 2.066 10 0 CEAERO CCCN(Cc1cccc(C(=O)OC)c1)[C@@H]1CCC[NH2+]C1 ZINC000110945761 186335998 /nfs/dbraw/zinc/33/59/98/186335998.db2.gz VVVNDRQBSGCUEN-MRXNPFEDSA-N 1 0 290.407 2.437 10 0 CEAERO CCCN(Cc1occc1C(=O)OCC)[C@@H]1CCC[NH2+]C1 ZINC000110945738 186336033 /nfs/dbraw/zinc/33/60/33/186336033.db2.gz XHEQEZIXOVRRMH-CYBMUJFWSA-N 1 0 294.395 2.420 10 0 CEAERO CCCCNC(=O)COc1cc(C)ccc1[C@@H](C)[NH3+] ZINC000110958151 186336813 /nfs/dbraw/zinc/33/68/13/186336813.db2.gz NKFSBDJYCLHNCC-GFCCVEGCSA-N 1 0 264.369 2.310 10 0 CEAERO CCC[NH2+][C@H](C)c1ccc(C)cc1OCCC(N)=O ZINC000110961613 186337921 /nfs/dbraw/zinc/33/79/21/186337921.db2.gz SDQYVUWBAIKPKX-GFCCVEGCSA-N 1 0 264.369 2.310 10 0 CEAERO C[N@@H+]1CCN(Cc2ccc3c(c2)CCN3)CC1(C)C ZINC000110763143 186323008 /nfs/dbraw/zinc/32/30/08/186323008.db2.gz GAQQNMIPHUPCKY-UHFFFAOYSA-N 1 0 259.397 2.181 10 0 CEAERO CCOc1cc(N[C@@H]2CC[N@@H+](C3CC3)C2)ccc1N ZINC000111054293 186348700 /nfs/dbraw/zinc/34/87/00/186348700.db2.gz LKMDRBFFBILCRW-GFCCVEGCSA-N 1 0 261.369 2.316 10 0 CEAERO CCOc1cc(N2CCC[C@@H]2C[NH+](C)C)ccc1N ZINC000111055829 186349651 /nfs/dbraw/zinc/34/96/51/186349651.db2.gz WMGFGIYLOYGINK-CYBMUJFWSA-N 1 0 263.385 2.198 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(SCCS(C)(=O)=O)c(F)c1 ZINC000111005124 186342254 /nfs/dbraw/zinc/34/22/54/186342254.db2.gz GSHCVRSQRVPWKM-VIFPVBQESA-N 1 0 291.413 2.243 10 0 CEAERO CCC[C@@H]1CC[C@@H](C[NH3+])[C@H](SCCS(C)(=O)=O)C1 ZINC000111005496 186342315 /nfs/dbraw/zinc/34/23/15/186342315.db2.gz MLMUTKQOXFOAOQ-FRRDWIJNSA-N 1 0 293.498 2.308 10 0 CEAERO CN(CC[NH+]1CCCC1)C(=O)c1c(N)cccc1Cl ZINC000111012867 186343295 /nfs/dbraw/zinc/34/32/95/186343295.db2.gz HMGORHUORGALLP-UHFFFAOYSA-N 1 0 281.787 2.090 10 0 CEAERO Cc1cnccc1NC(=O)[C@@H](C[NH3+])Cc1ccccc1 ZINC000111043499 186347553 /nfs/dbraw/zinc/34/75/53/186347553.db2.gz BPCVWRZZNHHNMC-CQSZACIVSA-N 1 0 269.348 2.146 10 0 CEAERO C[N@@H+](Cc1cc(F)ccc1N)C[C@@H]1CCCOC1 ZINC000111154895 186360582 /nfs/dbraw/zinc/36/05/82/186360582.db2.gz MTBKTWBEUZKHRE-NSHDSACASA-N 1 0 252.333 2.266 10 0 CEAERO CCNc1c(F)cc(C(=O)N(C)CCC[NH+](C)C)cc1F ZINC000111151781 186360619 /nfs/dbraw/zinc/36/06/19/186360619.db2.gz IGJXLOFUPIYGOF-UHFFFAOYSA-N 1 0 299.365 2.420 10 0 CEAERO C[C@@H](N)[C@@H](c1cccs1)[N@H+](C)CC1CCOCC1 ZINC000111156090 186363151 /nfs/dbraw/zinc/36/31/51/186363151.db2.gz HVVDYEBNCPQJBD-RISCZKNCSA-N 1 0 268.426 2.495 10 0 CEAERO CCC[NH2+]C1CCC(NS(=O)(=O)C(C)(C)C)CC1 ZINC000111072239 186350670 /nfs/dbraw/zinc/35/06/70/186350670.db2.gz VXQISHBAJOPFMR-UHFFFAOYSA-N 1 0 276.446 2.015 10 0 CEAERO CCC(CC)(C[NH3+])C(=O)NC[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000111084403 186351460 /nfs/dbraw/zinc/35/14/60/186351460.db2.gz JNIKYKMRYGKSNV-YNEHKIRRSA-N 1 0 252.402 2.304 10 0 CEAERO O=C(C[NH2+]C[C@@H]1C[C@H]2CC[C@@H]1C2)N1CCCCC1 ZINC000111088004 186351695 /nfs/dbraw/zinc/35/16/95/186351695.db2.gz JXEOBKOHKDVZRJ-MJBXVCDLSA-N 1 0 250.386 2.025 10 0 CEAERO NC(=[NH2+])c1cnc2ccccc2c1Sc1ccncn1 ZINC000111114386 186353858 /nfs/dbraw/zinc/35/38/58/186353858.db2.gz KOMCYWYNFJYBJH-UHFFFAOYSA-N 1 0 281.344 2.460 10 0 CEAERO CCCOCCOc1ccc(C[NH2+]CC(C)C)nn1 ZINC000111110994 186354106 /nfs/dbraw/zinc/35/41/06/186354106.db2.gz QDAARIMDRNWILQ-UHFFFAOYSA-N 1 0 267.373 2.028 10 0 CEAERO CCOCCN(CC)C[C@@H]([NH3+])c1ccc(OC)cc1OC ZINC000111119118 186354278 /nfs/dbraw/zinc/35/42/78/186354278.db2.gz BTOKVZASTFCIDR-OAHLLOKOSA-N 1 0 296.411 2.062 10 0 CEAERO CCOCC[N@H+](CC)C[C@H](O)c1ccc(OCC)cc1 ZINC000111121405 186354905 /nfs/dbraw/zinc/35/49/05/186354905.db2.gz PMDMMNXBXCLXSF-INIZCTEOSA-N 1 0 281.396 2.477 10 0 CEAERO CC[NH2+]Cc1cc(N(CC)CCOCC)ccn1 ZINC000111123496 186355450 /nfs/dbraw/zinc/35/54/50/186355450.db2.gz SVRWRPRCGVQHEI-UHFFFAOYSA-N 1 0 251.374 2.054 10 0 CEAERO COc1ccc([C@@H](O)[C@@H](C)N(C)CCC[NH+](C)C)cc1 ZINC000111143729 186358809 /nfs/dbraw/zinc/35/88/09/186358809.db2.gz QBRRSUIENLADNQ-CJNGLKHVSA-N 1 0 280.412 2.001 10 0 CEAERO CC[C@@H]1CCC(=O)[C@H](C[N@H+](C)CCCN(C)C)C1 ZINC000111146564 186359651 /nfs/dbraw/zinc/35/96/51/186359651.db2.gz VUCKBUPKDDXVLT-KGLIPLIRSA-N 1 0 254.418 2.265 10 0 CEAERO C[C@@H]1CCC[NH2+][C@H]1CNC(=O)[C@@H]1CCOc2ccccc21 ZINC000111186420 186367757 /nfs/dbraw/zinc/36/77/57/186367757.db2.gz MFVDWDGISTWQNB-YUELXQCFSA-N 1 0 288.391 2.057 10 0 CEAERO C[N@H+](CC1CCOCC1)[C@@H]1CCCCCC[C@@H]1O ZINC000111168771 186364363 /nfs/dbraw/zinc/36/43/63/186364363.db2.gz JQLMZYSGMYWDCB-CABCVRRESA-N 1 0 255.402 2.429 10 0 CEAERO CCC[C@]1(C(=O)N(C)C[C@@H]2CCCOC2)CCC[NH2+]C1 ZINC000111173136 186365549 /nfs/dbraw/zinc/36/55/49/186365549.db2.gz YAXRJYCIVOSEJP-HOCLYGCPSA-N 1 0 282.428 2.041 10 0 CEAERO O=C(NCC[C@@H]1CCCC[NH2+]1)[C@H]1CCOc2ccccc21 ZINC000111186358 186367463 /nfs/dbraw/zinc/36/74/63/186367463.db2.gz UZNXXCPJHAQLOG-ZFWWWQNUSA-N 1 0 288.391 2.201 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@H]1NC(=O)c1ccc2c(c1)COC2 ZINC000111306401 186395149 /nfs/dbraw/zinc/39/51/49/186395149.db2.gz OPBJVAWDZVANQS-HUUCEWRRSA-N 1 0 274.364 2.107 10 0 CEAERO CCCC[NH2+]C[C@@H](C)Sc1nnc(N(C)C)s1 ZINC000111317154 186395780 /nfs/dbraw/zinc/39/57/80/186395780.db2.gz VNNFECBXWFPFOC-SECBINFHSA-N 1 0 274.459 2.474 10 0 CEAERO CCC[C@@H](C)[NH2+]CCSc1nnc(N(C)C)s1 ZINC000111317295 186395876 /nfs/dbraw/zinc/39/58/76/186395876.db2.gz MRROMLDINJOFTM-SECBINFHSA-N 1 0 274.459 2.474 10 0 CEAERO CCCCC[NH2+]CCSc1nnc(N(C)C)s1 ZINC000111317369 186396418 /nfs/dbraw/zinc/39/64/18/186396418.db2.gz QRGRIYCRIOWBCE-UHFFFAOYSA-N 1 0 274.459 2.476 10 0 CEAERO Cc1ccc(N(C)[C@@H](C[NH3+])[C@@H]2CCCOC2)c(C)c1 ZINC000111321093 186396606 /nfs/dbraw/zinc/39/66/06/186396606.db2.gz VAUSEKRCXCSEBM-ZBFHGGJFSA-N 1 0 262.397 2.494 10 0 CEAERO C[NH2+]C[C@]1(CN(CC(F)(F)F)C2CC2)CCCOC1 ZINC000111326243 186398205 /nfs/dbraw/zinc/39/82/05/186398205.db2.gz YCFPCSVUHKFYBS-LBPRGKRZSA-N 1 0 280.334 2.029 10 0 CEAERO CN(C[C@]1(C[NH3+])CCCOC1)c1ccc(F)cc1 ZINC000111326990 186398695 /nfs/dbraw/zinc/39/86/95/186398695.db2.gz LHTLXEYTGTWIJB-CQSZACIVSA-N 1 0 252.333 2.017 10 0 CEAERO COc1ccccc1NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111242868 186374438 /nfs/dbraw/zinc/37/44/38/186374438.db2.gz SWCXRNGHYZFXGS-LBPRGKRZSA-N 1 0 288.269 2.176 10 0 CEAERO COCCn1c2ccccc2nc1[C@@H]1C[NH2+]C[C@H]1C ZINC000111256129 186379011 /nfs/dbraw/zinc/37/90/11/186379011.db2.gz FHHMJWKFKUWZGL-VXGBXAGGSA-N 1 0 259.353 2.006 10 0 CEAERO Cc1ccc(Cc2noc([C@H]3C[NH2+]C[C@H]3C)n2)cc1 ZINC000111256640 186379883 /nfs/dbraw/zinc/37/98/83/186379883.db2.gz SKYPPLYBCZSQJL-YPMHNXCESA-N 1 0 257.337 2.292 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1cnc2ccccc2c1 ZINC000111265490 186382132 /nfs/dbraw/zinc/38/21/32/186382132.db2.gz TVSZQYBTANAEGN-GXFFZTMASA-N 1 0 255.321 2.029 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000111268006 186383102 /nfs/dbraw/zinc/38/31/02/186383102.db2.gz LNBWDPZXNVGXLB-SMDDNHRTSA-N 1 0 296.798 2.033 10 0 CEAERO CCOc1ccc([C@@H](C)NC(=O)[C@H]2C[NH2+]C[C@@H]2C)cc1 ZINC000111267079 186383248 /nfs/dbraw/zinc/38/32/48/186383248.db2.gz XCJCSXIDXXTRCP-ZOWXZIJZSA-N 1 0 276.380 2.118 10 0 CEAERO CCOc1cc(F)ccc1NC(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000111266871 186383446 /nfs/dbraw/zinc/38/34/46/186383446.db2.gz YEPKMLPPWVEROV-GXSJLCMTSA-N 1 0 266.316 2.018 10 0 CEAERO CCC(=O)Nc1cccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)c1C ZINC000111266953 186383466 /nfs/dbraw/zinc/38/34/66/186383466.db2.gz MVNQMQDDSNALFK-ZYHUDNBSSA-N 1 0 289.379 2.138 10 0 CEAERO CCCC1CCC(NC(=O)[C@H]2C[NH2+]C[C@@H]2C)CC1 ZINC000111271884 186385969 /nfs/dbraw/zinc/38/59/69/186385969.db2.gz CSUDMSFISRAUJX-ABXWRUBCSA-N 1 0 252.402 2.317 10 0 CEAERO [NH3+]Cc1ccc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)nc1 ZINC000111281614 186388226 /nfs/dbraw/zinc/38/82/26/186388226.db2.gz ZNJJLWNIOFXEJL-KGLIPLIRSA-N 1 0 273.380 2.193 10 0 CEAERO CN(C(=O)c1ccc(C[NH3+])cn1)C1CCCCCC1 ZINC000111281602 186388718 /nfs/dbraw/zinc/38/87/18/186388718.db2.gz KTCRYVCEQIKZQE-UHFFFAOYSA-N 1 0 261.369 2.335 10 0 CEAERO Cc1nc(Cl)c(C)c(NC[C@@H]2CC[N@@H+](C)C2)n1 ZINC000111296639 186392835 /nfs/dbraw/zinc/39/28/35/186392835.db2.gz WZYSZSLELSHYTB-JTQLQIEISA-N 1 0 254.765 2.110 10 0 CEAERO CC[C@@H]([NH3+])CN1C(=O)c2cccc3cccc(c32)C1=O ZINC000111304848 186393548 /nfs/dbraw/zinc/39/35/48/186393548.db2.gz HRIVDZSMVMRSBM-LLVKDONJSA-N 1 0 268.316 2.173 10 0 CEAERO CCCN(CCC)c1nc2ccccn2c1CC[NH3+] ZINC000111478041 186421666 /nfs/dbraw/zinc/42/16/66/186421666.db2.gz MGIYNKONZMSPGL-UHFFFAOYSA-N 1 0 260.385 2.462 10 0 CEAERO COC[C@H](C)N(C)c1ccc(C[C@@H](C)[NH3+])c(C)c1 ZINC000111502829 186424725 /nfs/dbraw/zinc/42/47/25/186424725.db2.gz BXYFZRWTSRKCRH-OLZOCXBDSA-N 1 0 250.386 2.356 10 0 CEAERO [NH3+]CCc1ccccc1Sc1nnc2ccccn21 ZINC000111586457 186430053 /nfs/dbraw/zinc/43/00/53/186430053.db2.gz KRCGPJICLILNLC-UHFFFAOYSA-N 1 0 270.361 2.382 10 0 CEAERO CC[NH+](CC)CCc1noc(-c2ccc(O)cc2)n1 ZINC000111687038 186441139 /nfs/dbraw/zinc/44/11/39/186441139.db2.gz IYCFMEBGCALEAX-UHFFFAOYSA-N 1 0 261.325 2.327 10 0 CEAERO CC[NH2+]C[C@@H]1CCCCN1Cc1c(C)noc1C ZINC000111701301 186447007 /nfs/dbraw/zinc/44/70/07/186447007.db2.gz REZCGFUWXVDWAC-ZDUSSCGKSA-N 1 0 251.374 2.255 10 0 CEAERO CC(C)[NH2+]C[C@H]1CCCCN1Cc1cscn1 ZINC000111702859 186447539 /nfs/dbraw/zinc/44/75/39/186447539.db2.gz HVKPCTIKHOPMGZ-CYBMUJFWSA-N 1 0 253.415 2.496 10 0 CEAERO CC(C)C[NH2+]C[C@@H]1CCCCN1CC(=O)NC(C)(C)C ZINC000111704935 186447978 /nfs/dbraw/zinc/44/79/78/186447978.db2.gz MEAAORROSAFMHT-AWEZNQCLSA-N 1 0 283.460 2.001 10 0 CEAERO CC[C@@H](C)NC(=O)CN1CCCC[C@@H]1C[NH2+]CC(C)C ZINC000111704716 186448320 /nfs/dbraw/zinc/44/83/20/186448320.db2.gz QOKMRXLAZRNTSZ-HUUCEWRRSA-N 1 0 283.460 2.001 10 0 CEAERO O=C(COC1CC[NH2+]CC1)Nc1cc(Cl)ccc1F ZINC000111757445 186453724 /nfs/dbraw/zinc/45/37/24/186453724.db2.gz UAFLAKUVKDZDNV-UHFFFAOYSA-N 1 0 286.734 2.186 10 0 CEAERO C[C@@H]1C[C@@H]1CN(C)C(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000111769330 186454661 /nfs/dbraw/zinc/45/46/61/186454661.db2.gz UZSVORLDIITSNK-HUUCEWRRSA-N 1 0 286.419 2.422 10 0 CEAERO C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)CCOC1CC[NH2+]CC1 ZINC000111799720 186459390 /nfs/dbraw/zinc/45/93/90/186459390.db2.gz NADZVIWBHCBUEX-GUTXKFCHSA-N 1 0 282.428 2.086 10 0 CEAERO Cc1cc(C(=O)N[C@H]2c3ccccc3C[C@@H]2[NH3+])ccc1F ZINC000111367502 186406624 /nfs/dbraw/zinc/40/66/24/186406624.db2.gz ZEJRCZOQCLMGGC-HOTGVXAUSA-N 1 0 284.334 2.489 10 0 CEAERO [NH3+]C[C@H]1CCCN1C(=O)c1ccccc1C(F)(F)F ZINC000111366232 186406647 /nfs/dbraw/zinc/40/66/47/186406647.db2.gz LQCMMDDAJAVJOB-SECBINFHSA-N 1 0 272.270 2.269 10 0 CEAERO CCn1ccnc(Nc2ccccc2[C@@H](C)[NH3+])c1=O ZINC000111379453 186409218 /nfs/dbraw/zinc/40/92/18/186409218.db2.gz BRBVIKSKKVMKRE-SNVBAGLBSA-N 1 0 258.325 2.027 10 0 CEAERO Cc1cc(C)nc(N[C@H]2c3ccccc3C[C@H]2[NH3+])n1 ZINC000111377362 186409491 /nfs/dbraw/zinc/40/94/91/186409491.db2.gz PUQBZSUIMSCPPU-KGLIPLIRSA-N 1 0 254.337 2.130 10 0 CEAERO Cc1ccc([C@H](O)CC[N@H+]2[C@@H]3CC[C@H]2CC(O)C3)cc1 ZINC000111397062 186411782 /nfs/dbraw/zinc/41/17/82/186411782.db2.gz ZJCGVFYLFWQKEE-FCLJQHQZSA-N 1 0 275.392 2.406 10 0 CEAERO Cc1ccc(CC(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1C ZINC000061883729 539811860 /nfs/dbraw/zinc/81/18/60/539811860.db2.gz MPLVRASJKXIIGN-LSDHHAIUSA-N 1 0 260.381 2.090 10 0 CEAERO CCC[C@H]1C[N@H+](C[C@](C)(O)c2ccccc2)CCO1 ZINC000131405382 366051307 /nfs/dbraw/zinc/05/13/07/366051307.db2.gz TXXSZCMJJNMLTG-HOTGVXAUSA-N 1 0 263.381 2.395 10 0 CEAERO CO[C@H]1CN(Cc2c(F)cccc2Cl)[C@@](C)(C[NH3+])C1 ZINC000630354937 351710110 /nfs/dbraw/zinc/71/01/10/351710110.db2.gz BYVOWYKIKFCRBG-QMTHXVAHSA-N 1 0 286.778 2.417 10 0 CEAERO CO[C@@H]1CN(CCOc2ccc(Cl)cc2)[C@@](C)(C[NH3+])C1 ZINC000630359573 351711074 /nfs/dbraw/zinc/71/10/74/351711074.db2.gz GLOKWTGNDGRQOQ-LSDHHAIUSA-N 1 0 298.814 2.157 10 0 CEAERO CO[C@H]1CN(Cc2ccc(SC)cc2)[C@@](C)(C[NH3+])C1 ZINC000630361125 351712235 /nfs/dbraw/zinc/71/22/35/351712235.db2.gz LUJIYQPEPFHJNW-UKRRQHHQSA-N 1 0 280.437 2.347 10 0 CEAERO CO[C@H]1CN(Cc2csc(C(C)(C)C)n2)[C@@](C)(C[NH3+])C1 ZINC000630364596 351713115 /nfs/dbraw/zinc/71/31/15/351713115.db2.gz POETUZUMQAEPJS-IUODEOHRSA-N 1 0 297.468 2.379 10 0 CEAERO CO[C@@H]1CN(CCSc2ccc(F)cc2)[C@@](C)(C[NH3+])C1 ZINC000630363661 351713488 /nfs/dbraw/zinc/71/34/88/351713488.db2.gz CHVSIZRPLUZFIO-DZGCQCFKSA-N 1 0 298.427 2.356 10 0 CEAERO CCc1cc(CC)nc(N2CCCCC[C@H]([NH3+])C2)n1 ZINC000630550262 351781332 /nfs/dbraw/zinc/78/13/32/351781332.db2.gz SPFLUANBFRTREV-LBPRGKRZSA-N 1 0 262.401 2.309 10 0 CEAERO COC(=O)C1=C(O)CC[N@@H+]([C@H](C)CCc2ccccc2)C1 ZINC000070460831 363088492 /nfs/dbraw/zinc/08/84/92/363088492.db2.gz XHPMCCKALVVASY-UKRRQHHQSA-N 1 0 289.375 2.072 10 0 CEAERO C[C@@H]1CN(c2cccc(C(F)(F)F)n2)C[C@H]1C[NH3+] ZINC000630573516 351789586 /nfs/dbraw/zinc/78/95/86/351789586.db2.gz UHBJLWPOUYLGBQ-RKDXNWHRSA-N 1 0 259.275 2.131 10 0 CEAERO CC[C@H]1CN2CCCC[C@@H]2C[N@@H+]1CCOC(C)C ZINC000122132015 187016563 /nfs/dbraw/zinc/01/65/63/187016563.db2.gz GYVOLYHOLWTYQQ-LSDHHAIUSA-N 1 0 254.418 2.360 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)CCc2ccc(F)cc2F)C1 ZINC000124035098 187119412 /nfs/dbraw/zinc/11/94/12/187119412.db2.gz UAQYDQWBPLCVRR-CYBMUJFWSA-N 1 0 282.334 2.060 10 0 CEAERO CC(C)C[NH2+]C[C@@H]1CCCO[C@H]1c1cnn(C)c1 ZINC000092888166 539830320 /nfs/dbraw/zinc/83/03/20/539830320.db2.gz HOSPTEFHJXBAJJ-GXTWGEPZSA-N 1 0 251.374 2.133 10 0 CEAERO [NH3+]Cc1cnc(-c2cc(Br)cs2)nc1 ZINC000070599509 363100487 /nfs/dbraw/zinc/10/04/87/363100487.db2.gz JSIMDIZRRIGMOY-UHFFFAOYSA-N 1 0 270.155 2.426 10 0 CEAERO O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1ncc[nH]1)c1ccccc1 ZINC000072867147 363172611 /nfs/dbraw/zinc/17/26/11/363172611.db2.gz TXXZPIWLXUPJAF-GJZGRUSLSA-N 1 0 271.364 2.498 10 0 CEAERO CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NC[C@H](C)[NH3+])cc1 ZINC000249089663 539844961 /nfs/dbraw/zinc/84/49/61/539844961.db2.gz KALHGTVHYGJINZ-TUKIKUTGSA-N 1 0 260.381 2.377 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)C1 ZINC000252647460 539884472 /nfs/dbraw/zinc/88/44/72/539884472.db2.gz UGEQYAXRFBQTGZ-KBUPBQIOSA-N 1 0 254.418 2.121 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H]2CC[C@H](C)C[C@H]2C)C1 ZINC000252649656 539884779 /nfs/dbraw/zinc/88/47/79/539884779.db2.gz XJKXRNXIGQEIEA-GBJTYRQASA-N 1 0 254.418 2.121 10 0 CEAERO COc1ccc(F)c(NC(=O)C2CCC([NH3+])CC2)c1 ZINC000094855139 539886776 /nfs/dbraw/zinc/88/67/76/539886776.db2.gz BDHQHZBCKFIJPA-UHFFFAOYSA-N 1 0 266.316 2.290 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C[C@H]1CCCOC1 ZINC000252693237 539893129 /nfs/dbraw/zinc/89/31/29/539893129.db2.gz IQLRBEIFJVLVEX-OAGGEKHMSA-N 1 0 266.429 2.362 10 0 CEAERO CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000249250302 539907232 /nfs/dbraw/zinc/90/72/32/539907232.db2.gz GCQNEWHEXSQIAR-VXGBXAGGSA-N 1 0 286.297 2.043 10 0 CEAERO CCC[C@H]([NH3+])C(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000236940165 370660163 /nfs/dbraw/zinc/66/01/63/370660163.db2.gz XTJIHTLNPXKCPD-MFKMUULPSA-N 1 0 250.342 2.460 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000253193915 539925845 /nfs/dbraw/zinc/92/58/45/539925845.db2.gz PHBXIVGITNREGF-WBMJQRKESA-N 1 0 278.371 2.123 10 0 CEAERO Cc1cc(F)cc(C(=O)Nc2nc3c(s2)C[NH2+]CC3)c1 ZINC000136911177 187890055 /nfs/dbraw/zinc/89/00/55/187890055.db2.gz PLJTYMPCLVBNDU-UHFFFAOYSA-N 1 0 291.351 2.489 10 0 CEAERO [NH3+]C[C@@H]1c2ccccc2CCN1c1ncncc1Cl ZINC000097848344 539953241 /nfs/dbraw/zinc/95/32/41/539953241.db2.gz YGSPOHJERFPUFJ-CYBMUJFWSA-N 1 0 274.755 2.193 10 0 CEAERO CCS(=O)(=O)c1ccc(N2CCC[C@@H](C)[C@H]2C[NH3+])cc1 ZINC000250234642 539964113 /nfs/dbraw/zinc/96/41/13/539964113.db2.gz HGLDRNQJRSAEES-IUODEOHRSA-N 1 0 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ZINC000236968757 370667873 /nfs/dbraw/zinc/66/78/73/370667873.db2.gz BHIQOLRTVRYLCS-SECBINFHSA-N 1 0 269.414 2.184 10 0 CEAERO C[C@H]1C[N@H+](Cc2cccc(F)c2F)C[C@@H]1N1CCOCC1 ZINC000177280673 189041301 /nfs/dbraw/zinc/04/13/01/189041301.db2.gz XEXDDEGNVIUIPJ-WFASDCNBSA-N 1 0 296.361 2.117 10 0 CEAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)CS(C)(=O)=O)c(C)c1 ZINC000081900567 363745491 /nfs/dbraw/zinc/74/54/91/363745491.db2.gz MCJGAXWODABZJU-STQMWFEESA-N 1 0 269.410 2.387 10 0 CEAERO CC(C)(C)OCCCN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000674908897 540796460 /nfs/dbraw/zinc/79/64/60/540796460.db2.gz IJHVJHCFLDNGFQ-AWEZNQCLSA-N 1 0 254.418 2.362 10 0 CEAERO CCC[C@@H]1C[N@H+](C[C@H](O)COCc2ccccc2)CCO1 ZINC000179156942 189173536 /nfs/dbraw/zinc/17/35/36/189173536.db2.gz JMJBWDDLUYIEGN-DLBZAZTESA-N 1 0 293.407 2.065 10 0 CEAERO CCC[C@@H](C(=O)NCCc1ccc(OC)c(F)c1)[NH+](C)C ZINC000179194267 189176339 /nfs/dbraw/zinc/17/63/39/189176339.db2.gz BBBOMDIZJJJBAS-AWEZNQCLSA-N 1 0 296.386 2.223 10 0 CEAERO O=C(c1cc(F)cc2cccnc21)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179394672 189191132 /nfs/dbraw/zinc/19/11/32/189191132.db2.gz SFOOIXJPXGCWDE-CQSZACIVSA-N 1 0 299.349 2.294 10 0 CEAERO COc1ccc(F)cc1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179365452 189188932 /nfs/dbraw/zinc/18/89/32/189188932.db2.gz MKOPKBINNHZHLQ-GFCCVEGCSA-N 1 0 293.342 2.146 10 0 CEAERO COc1ccccc1/C=C/CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179548237 189201738 /nfs/dbraw/zinc/20/17/38/189201738.db2.gz QPAGGAXCOZUOQL-IEXSPKMKSA-N 1 0 272.392 2.488 10 0 CEAERO CC1(C)CC[C@H]([NH2+][C@@H]2CCNC2=O)c2ccccc21 ZINC000676234987 540907562 /nfs/dbraw/zinc/90/75/62/540907562.db2.gz XLELTGNMOGWFEG-UONOGXRCSA-N 1 0 258.365 2.277 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1c1ncc(F)cn1 ZINC000676563416 540934945 /nfs/dbraw/zinc/93/49/45/540934945.db2.gz DJEPNDOZJZCTPZ-OLZOCXBDSA-N 1 0 264.348 2.069 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](C1CCCC1)C(F)(F)F ZINC000236983829 370671259 /nfs/dbraw/zinc/67/12/59/370671259.db2.gz AELXXJMUQGIPCL-ZJUUUORDSA-N 1 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RTDAWQOTLHQKMA-ZDUSSCGKSA-N 1 0 291.786 2.239 10 0 CEAERO CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2O)o1 ZINC000051993346 541577756 /nfs/dbraw/zinc/57/77/56/541577756.db2.gz IEXNKBCBLFLOAN-UONOGXRCSA-N 1 0 294.395 2.155 10 0 CEAERO COCc1cccc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000171888730 367634684 /nfs/dbraw/zinc/63/46/84/367634684.db2.gz QLXTXIVMMXIJOS-HNNXBMFYSA-N 1 0 289.379 2.145 10 0 CEAERO CCOC(C)(C)C[NH2+]Cc1csc(COC)n1 ZINC000681984882 541615684 /nfs/dbraw/zinc/61/56/84/541615684.db2.gz IWODCGYUZBBYKK-UHFFFAOYSA-N 1 0 258.387 2.194 10 0 CEAERO CC(C)n1ccc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)n1 ZINC000172016857 367659315 /nfs/dbraw/zinc/65/93/15/367659315.db2.gz MGKJQRYVHUZBKU-ZDUSSCGKSA-N 1 0 273.384 2.187 10 0 CEAERO CCOCC[N@@H+]1CCN(CCc2cccnc2)C[C@@H]1CC ZINC000172162417 367687532 /nfs/dbraw/zinc/68/75/32/367687532.db2.gz YOHJEVONYWKRJC-KRWDZBQOSA-N 1 0 291.439 2.057 10 0 CEAERO CC[C@@H](O)C[NH+]1CCN([C@H](C)c2ccc(F)cc2)CC1 ZINC000172355063 367725468 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ZINC000173701249 367935291 /nfs/dbraw/zinc/93/52/91/367935291.db2.gz ZDEXUDHZQRPTTP-GOEBONIOSA-N 1 0 262.397 2.318 10 0 CEAERO CC1CC(C(=O)N2C[C@@H](C[NH3+])Cc3ccccc32)C1 ZINC000632868607 367963367 /nfs/dbraw/zinc/96/33/67/367963367.db2.gz JOYPRVRXQZQJIZ-MBHSVXNSSA-N 1 0 258.365 2.197 10 0 CEAERO CC1CC(C(=O)N2C[C@H](C[NH3+])Cc3ccccc32)C1 ZINC000632868606 367963386 /nfs/dbraw/zinc/96/33/86/367963386.db2.gz JOYPRVRXQZQJIZ-LXVYMNJGSA-N 1 0 258.365 2.197 10 0 CEAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000174027649 367972249 /nfs/dbraw/zinc/97/22/49/367972249.db2.gz GCFBNORXHOJZJX-OWCLPIDISA-N 1 0 286.419 2.274 10 0 CEAERO CC[C@H](O)CN1CC[NH+](C[C@@H](C)c2ccccc2)CC1 ZINC000174071535 367978706 /nfs/dbraw/zinc/97/87/06/367978706.db2.gz YTTQMQGJFPSCLI-WBVHZDCISA-N 1 0 276.424 2.179 10 0 CEAERO CC[NH+](CC)CC(=O)N[C@H](C)COCc1ccccc1 ZINC000174588027 368045120 /nfs/dbraw/zinc/04/51/20/368045120.db2.gz DZDFHKLVYIZRRG-CQSZACIVSA-N 1 0 278.396 2.050 10 0 CEAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCCC1CC1 ZINC000174666011 368055184 /nfs/dbraw/zinc/05/51/84/368055184.db2.gz KOUFSWBSDJEOAZ-HNNXBMFYSA-N 1 0 260.381 2.076 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1CN(C)CCO1)c1ccc2ccccc2c1 ZINC000174419874 368021675 /nfs/dbraw/zinc/02/16/75/368021675.db2.gz VWJIFPTWSACYAF-DYVFJYSZSA-N 1 0 298.386 2.348 10 0 CEAERO CCCCO[C@H](C)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000174961944 368084646 /nfs/dbraw/zinc/08/46/46/368084646.db2.gz KRQVJAJJYYQYHI-QLFBSQMISA-N 1 0 282.428 2.277 10 0 CEAERO CCc1nnc(CN2CCCC[C@H]2c2cccn2C)n1C ZINC000175126352 368102332 /nfs/dbraw/zinc/10/23/32/368102332.db2.gz GNKNVLIJKBMXFM-AWEZNQCLSA-N 1 0 287.411 2.443 10 0 CEAERO CCC[N@H+](CC)CCNC(=O)N[C@H]1COc2ccccc21 ZINC000175405772 368135121 /nfs/dbraw/zinc/13/51/21/368135121.db2.gz DANQLLPRINVVSC-AWEZNQCLSA-N 1 0 291.395 2.151 10 0 CEAERO COc1cccc(/C(C)=C/C(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000175979373 368193457 /nfs/dbraw/zinc/19/34/57/368193457.db2.gz PXIOAKBTOXDFKA-NRMKIYEFSA-N 1 0 288.391 2.261 10 0 CEAERO Cc1nc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)sc1C ZINC000176372704 368230969 /nfs/dbraw/zinc/23/09/69/368230969.db2.gz SIIYCAHXTVUSRV-CYBMUJFWSA-N 1 0 291.424 2.264 10 0 CEAERO CC[C@@H](Oc1ccccc1C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000176455317 368240828 /nfs/dbraw/zinc/24/08/28/368240828.db2.gz RIFPTHMBGZGDEM-LSDHHAIUSA-N 1 0 290.407 2.315 10 0 CEAERO CCC[N@H+](C)C[C@@H]1CCN(Cc2nnc(C(C)C)n2C)C1 ZINC000176271886 368218438 /nfs/dbraw/zinc/21/84/38/368218438.db2.gz YXFYIJDSMZRUDG-AWEZNQCLSA-N 1 0 293.459 2.102 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1csc(-c2cccs2)n1 ZINC000335504985 212187979 /nfs/dbraw/zinc/18/79/79/212187979.db2.gz MGCGUIZHNDTCEO-DTWKUNHWSA-N 1 0 293.417 2.433 10 0 CEAERO Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CN(C)CCO1)CCCO2 ZINC000180497510 368385074 /nfs/dbraw/zinc/38/50/74/368385074.db2.gz AEJMUTORNYENHP-GDBMZVCRSA-N 1 0 290.407 2.129 10 0 CEAERO CC[C@H](CSC)NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000181208278 368432223 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IYFAGRCCIQQRQJ-HOCLYGCPSA-N 1 0 258.365 2.001 10 0 CEAERO CC(=O)c1cccc(NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)c1 ZINC000634735534 368849355 /nfs/dbraw/zinc/84/93/55/368849355.db2.gz JPODCJABDPENLS-BBRMVZONSA-N 1 0 272.348 2.217 10 0 CEAERO O=C(N1CCC[C@@H](C(F)(F)F)C1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634736475 368850466 /nfs/dbraw/zinc/85/04/66/368850466.db2.gz OHXGJXPJTRPAFD-LOWVWBTDSA-N 1 0 290.329 2.177 10 0 CEAERO CCn1cc(CC[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)cn1 ZINC000348355300 369014219 /nfs/dbraw/zinc/01/42/19/369014219.db2.gz XYBRHNLQFBHLLU-ZACQAIPSSA-N 1 0 291.439 2.461 10 0 CEAERO C[C@@H]1OCCC[C@@H]1C(=O)N1CC[N@H+](C)CC12CCCCC2 ZINC000188526159 369369481 /nfs/dbraw/zinc/36/94/81/369369481.db2.gz QBOFXENPOVPIBE-GJZGRUSLSA-N 1 0 294.439 2.278 10 0 CEAERO C[C@H]1OCCC[C@H]1C(=O)N1CC[N@H+](C)CC12CCCCC2 ZINC000188526089 369370295 /nfs/dbraw/zinc/37/02/95/369370295.db2.gz QBOFXENPOVPIBE-HUUCEWRRSA-N 1 0 294.439 2.278 10 0 CEAERO CCN(C(=O)CN1CC[C@@H](C)C[C@@H]1C[NH3+])C1CCCCC1 ZINC000233467940 284153681 /nfs/dbraw/zinc/15/36/81/284153681.db2.gz JMMCACGZXQVOCP-GDBMZVCRSA-N 1 0 295.471 2.227 10 0 CEAERO [NH3+][C@@H]1CCC[C@H](CNc2ccc(C(F)(F)F)nn2)C1 ZINC000227667142 189787130 /nfs/dbraw/zinc/78/71/30/189787130.db2.gz JGHSPJCSBDJVCO-DTWKUNHWSA-N 1 0 274.290 2.425 10 0 CEAERO CCc1ccccc1CN1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000188955977 369433914 /nfs/dbraw/zinc/43/39/14/369433914.db2.gz ADWCUVHUZLVZPT-HUUCEWRRSA-N 1 0 276.424 2.136 10 0 CEAERO CCc1ccccc1C[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000189095141 369456052 /nfs/dbraw/zinc/45/60/52/369456052.db2.gz RBHOMLVIIUQALH-CRAIPNDOSA-N 1 0 288.435 2.402 10 0 CEAERO C[C@@H]1C(=O)NCCCN1Cc1ccccc1Br ZINC000189102100 369457742 /nfs/dbraw/zinc/45/77/42/369457742.db2.gz AZMNXLMFEFFTMN-SNVBAGLBSA-N 1 0 297.196 2.160 10 0 CEAERO C[C@H](CCc1ccccc1)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000246389907 370955320 /nfs/dbraw/zinc/95/53/20/370955320.db2.gz PGDRWCBHZZOBRZ-WBVHZDCISA-N 1 0 276.424 2.270 10 0 CEAERO O=C(NC[C@H]1Cc2ccccc21)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246412077 370957967 /nfs/dbraw/zinc/95/79/67/370957967.db2.gz LEBRJIXZTBZWCQ-CVEARBPZSA-N 1 0 299.418 2.206 10 0 CEAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC1=CCCOC1 ZINC000179200527 284163705 /nfs/dbraw/zinc/16/37/05/284163705.db2.gz ISDSIOBSPNSBGJ-KKUMJFAQSA-N 1 0 279.380 2.139 10 0 CEAERO C[C@@H]1CCC[C@@H](NC(=O)N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000190971818 369665652 /nfs/dbraw/zinc/66/56/52/369665652.db2.gz XJYBFRVMLMGODK-MCIONIFRSA-N 1 0 267.417 2.301 10 0 CEAERO CC[C@@H](O)C[NH+]1CCN(Cc2cc(Cl)cs2)CC1 ZINC000194390906 370033049 /nfs/dbraw/zinc/03/30/49/370033049.db2.gz FPSRRULDERXBGF-GFCCVEGCSA-N 1 0 288.844 2.290 10 0 CEAERO O=C(CCc1ccccc1O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195064058 370101630 /nfs/dbraw/zinc/10/16/30/370101630.db2.gz IHRFFTNPZLIKCT-HNNXBMFYSA-N 1 0 288.391 2.022 10 0 CEAERO CCCCOC[C@H](O)C[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000195184873 370111705 /nfs/dbraw/zinc/11/17/05/370111705.db2.gz 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XLNNGAIOVOIJPQ-FGTMMUONSA-N 1 0 288.435 2.318 10 0 CEAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000253232882 371503335 /nfs/dbraw/zinc/50/33/35/371503335.db2.gz IJFMSFVYMOLFJF-NYMYIZQJSA-N 1 0 294.345 2.183 10 0 CEAERO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCO[C@H]2C)C1 ZINC000253276753 371504672 /nfs/dbraw/zinc/50/46/72/371504672.db2.gz KFRCTNCJYVTDEW-RRFJBIMHSA-N 1 0 282.428 2.038 10 0 CEAERO C[C@@H]([NH3+])CCNC(=O)/C=C\c1nc2ccccc2s1 ZINC000255304962 371573013 /nfs/dbraw/zinc/57/30/13/371573013.db2.gz BKGYECMGQQWDLU-JYESYGNLSA-N 1 0 275.377 2.163 10 0 CEAERO COc1cc(C)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1OC ZINC000261607352 371675004 /nfs/dbraw/zinc/67/50/04/371675004.db2.gz DCKGPSZENLFASX-AEGPPILISA-N 1 0 290.407 2.181 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(Cc3cc(F)cc(F)c3)C[C@H]12 ZINC000261556386 371646057 /nfs/dbraw/zinc/64/60/57/371646057.db2.gz BZTHVLUXVRWRGO-DDTOSNHZSA-N 1 0 252.308 2.134 10 0 CEAERO 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RRYNYYOPGZFEFF-VXGBXAGGSA-N 1 0 253.317 2.050 10 0 CEAERO Fc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)c1 ZINC000261848440 371749537 /nfs/dbraw/zinc/74/95/37/371749537.db2.gz AYZQXTKDRIRKKA-BZUAXINKSA-N 1 0 278.371 2.072 10 0 CEAERO C[C@H]1CN(Cc2ccc(OCC3CC3)cc2)C[C@H]1[NH3+] ZINC000261926732 371772407 /nfs/dbraw/zinc/77/24/07/371772407.db2.gz CIFLEKOPAKVNDI-BLLLJJGKSA-N 1 0 260.381 2.254 10 0 CEAERO CC(C)CC1(CNC(=O)[C@@H]([NH3+])C2CCOCC2)CCCC1 ZINC000261954389 371783587 /nfs/dbraw/zinc/78/35/87/371783587.db2.gz KJDCHOWOFRPJGY-HNNXBMFYSA-N 1 0 296.455 2.463 10 0 CEAERO Cc1ncsc1CN(Cc1cocn1)C[C@@H]1CC[NH2+]C1 ZINC000261973476 371788497 /nfs/dbraw/zinc/78/84/97/371788497.db2.gz QMDLODXXGXTTPX-GFCCVEGCSA-N 1 0 292.408 2.051 10 0 CEAERO CN(C[C@@H]1C[C@H](F)CN1Cc1cccs1)CC(C)(C)[NH3+] ZINC000261982309 371789753 /nfs/dbraw/zinc/78/97/53/371789753.db2.gz RLNWTGLNZGIEIU-STQMWFEESA-N 1 0 299.459 2.330 10 0 CEAERO C[C@H]1CCN(c2ccc(OC(F)F)cn2)C[C@@H]1C[NH3+] ZINC000262154032 371831410 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COC[C@@H]([NH3+])C(=O)N([C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000262551837 371875801 /nfs/dbraw/zinc/87/58/01/371875801.db2.gz OVDFNWWEDMTECF-QMTHXVAHSA-N 1 0 296.798 2.366 10 0 CEAERO COC[C@H]([NH3+])C(=O)Nc1ccc(OC2CCCCC2)cc1 ZINC000262244258 371841761 /nfs/dbraw/zinc/84/17/61/371841761.db2.gz IBFHKGQQEZFRBV-HNNXBMFYSA-N 1 0 292.379 2.310 10 0 CEAERO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)CCc1ccc(C)o1 ZINC000262701058 371899650 /nfs/dbraw/zinc/89/96/50/371899650.db2.gz ICPZUOCBFXMOQX-MJVIPROJSA-N 1 0 266.385 2.399 10 0 CEAERO Cn1nc(CC(C)(C)C)cc1NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000237673012 189886811 /nfs/dbraw/zinc/88/68/11/189886811.db2.gz XSBVDDRBUMTNFI-QWRGUYRKSA-N 1 0 278.400 2.075 10 0 CEAERO COc1c(C[NH2+][C@H]2CCCC(F)(F)C2)c(C)nn1C ZINC000344801582 217316605 /nfs/dbraw/zinc/31/66/05/217316605.db2.gz XKPNSXPPFNKKQQ-JTQLQIEISA-N 1 0 273.327 2.405 10 0 CEAERO C[NH+](C)[C@H]1CC[C@@H](NC(=O)Nc2cccc3c2CCO3)C1 ZINC000333507623 205386793 /nfs/dbraw/zinc/38/67/93/205386793.db2.gz XCUQGFZAJIWOMR-NEPJUHHUSA-N 1 0 289.379 2.226 10 0 CEAERO COC[C@@]1(C(=O)Nc2ccc(F)c(Cl)c2)CCC[NH2+]1 ZINC000643615002 373220599 /nfs/dbraw/zinc/22/05/99/373220599.db2.gz AIHDTCHISYVQDN-CYBMUJFWSA-N 1 0 286.734 2.186 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1[NH2+]CC1(C)C)c1cc(F)ccc1F ZINC000644017618 373342884 /nfs/dbraw/zinc/34/28/84/373342884.db2.gz ASLZTIIINRIPFB-PELKAZGASA-N 1 0 268.307 2.140 10 0 CEAERO C[C@H]1CC[C@H](C)[NH+]1C[C@H](O)COCc1ccccc1 ZINC000131467730 220200508 /nfs/dbraw/zinc/20/05/08/220200508.db2.gz XPAUWWFPFWJDKN-DZKIICNBSA-N 1 0 263.381 2.437 10 0 CEAERO CCc1cc(N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)nc(C)n1 ZINC000272913784 373708828 /nfs/dbraw/zinc/70/88/28/373708828.db2.gz RTKCIMNZKUDLQW-RISCZKNCSA-N 1 0 262.401 2.488 10 0 CEAERO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(Cl)cc1Cl ZINC000008699290 284414679 /nfs/dbraw/zinc/41/46/79/284414679.db2.gz BBVVELLWWNRSNG-ZJUUUORDSA-N 1 0 274.147 2.469 10 0 CEAERO O=S1(=O)CC[C@H](CC[NH2+]C2C3CC4CC(C3)CC2C4)C1 ZINC000645180891 373899877 /nfs/dbraw/zinc/89/98/77/373899877.db2.gz OYJCRMWHGVDTMB-MGWQBKBZSA-N 1 0 297.464 2.226 10 0 CEAERO Cc1cc2c(N[C@H]3C[N@H+](C(C)C)C[C@@H]3C)nccn2n1 ZINC000274743455 374034712 /nfs/dbraw/zinc/03/47/12/374034712.db2.gz AMKNUZILVYLPNP-AAEUAGOBSA-N 1 0 273.384 2.178 10 0 CEAERO Cc1cc([C@@H](C)NC[C@H](O)C[NH+]2CCCCC2)c(C)o1 ZINC000278170890 374741905 /nfs/dbraw/zinc/74/19/05/374741905.db2.gz CKTVDBSNFVPVJF-HIFRSBDPSA-N 1 0 280.412 2.394 10 0 CEAERO O[C@H](COCc1ccccc1)C[N@@H+]1CCC[C@H]1C1CC1 ZINC000377534406 374876142 /nfs/dbraw/zinc/87/61/42/374876142.db2.gz SMRAEWGQHRTGOJ-IRXDYDNUSA-N 1 0 275.392 2.439 10 0 CEAERO c1ccc(C[N@H+]2CCCC[C@H]2CNc2cccnn2)cc1 ZINC000379667766 375157169 /nfs/dbraw/zinc/15/71/69/375157169.db2.gz BZNGLTKCINEHIG-INIZCTEOSA-N 1 0 282.391 2.365 10 0 CEAERO CCCn1nc(C)c(-c2cnn(CCC[NH3+])c2)c1C ZINC000382334332 375184736 /nfs/dbraw/zinc/18/47/36/375184736.db2.gz VUGUHYGAVTZUDR-UHFFFAOYSA-N 1 0 261.373 2.122 10 0 CEAERO Cc1sc2nc(C)nc(N3CC[C@@H]4C[NH2+]C[C@@H]43)c2c1C ZINC000385812107 375245793 /nfs/dbraw/zinc/24/57/93/375245793.db2.gz IIVWKSJIHGLSMO-NEPJUHHUSA-N 1 0 288.420 2.415 10 0 CEAERO COc1cc(C)c(C[N@@H+]2CCC[C@@H](O)[C@@H]2C)cc1OC ZINC000384927615 375220836 /nfs/dbraw/zinc/22/08/36/375220836.db2.gz RYZPSFNDPZCZBK-GXTWGEPZSA-N 1 0 279.380 2.357 10 0 CEAERO COc1cc(C)c(C[N@@H+]2CCC[C@H](O)[C@H]2C)cc1OC ZINC000384927621 375222149 /nfs/dbraw/zinc/22/21/49/375222149.db2.gz RYZPSFNDPZCZBK-OCCSQVGLSA-N 1 0 279.380 2.357 10 0 CEAERO C[C@H]1[C@H](O)CCC[N@@H+]1CCOc1ccccc1F ZINC000384960111 375222171 /nfs/dbraw/zinc/22/21/71/375222171.db2.gz WNRJNCSIZLZCPS-WCQYABFASA-N 1 0 253.317 2.050 10 0 CEAERO CC[C@H]([NH2+][C@H]1CCN(CC)C1)c1ccc(F)cn1 ZINC000389240906 375300012 /nfs/dbraw/zinc/30/00/12/375300012.db2.gz KTGHOWVQPKFUBI-STQMWFEESA-N 1 0 251.349 2.356 10 0 CEAERO c1ccc(Cc2noc([C@]34CCC[C@@H]3C[NH2+]C4)n2)cc1 ZINC000407986784 375391058 /nfs/dbraw/zinc/39/10/58/375391058.db2.gz KJOASHGQLQCNGS-CJNGLKHVSA-N 1 0 269.348 2.302 10 0 CEAERO CCOC(=O)N(CC[NH3+])[C@@H](C)c1ccc(F)c(F)c1 ZINC000253564738 189994031 /nfs/dbraw/zinc/99/40/31/189994031.db2.gz GWYKIDAVYCXQFE-VIFPVBQESA-N 1 0 272.295 2.443 10 0 CEAERO Cc1cnccc1CC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000399067172 375356608 /nfs/dbraw/zinc/35/66/08/375356608.db2.gz KMKFBPCPXTZWFT-HRCADAONSA-N 1 0 260.381 2.025 10 0 CEAERO C[C@@H]1CC[C@H](Nc2cncc(Br)c2)C[NH2+]1 ZINC000399166779 375360500 /nfs/dbraw/zinc/36/05/00/375360500.db2.gz HBSIDJPOJFXTQK-SCZZXKLOSA-N 1 0 270.174 2.397 10 0 CEAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000282389902 375473094 /nfs/dbraw/zinc/47/30/94/375473094.db2.gz OXJHALXKMZVTLN-SKDRFNHKSA-N 1 0 297.196 2.206 10 0 CEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000282389893 375473399 /nfs/dbraw/zinc/47/33/99/375473399.db2.gz OXJHALXKMZVTLN-CABZTGNLSA-N 1 0 297.196 2.206 10 0 CEAERO Cc1ccc(C2CC([NH2+][C@H]3CCC(=O)N[C@H]3C)C2)cc1 ZINC000282127218 375409820 /nfs/dbraw/zinc/40/98/20/375409820.db2.gz BDTBLWKHFVIZSW-MFNGEMCRSA-N 1 0 272.392 2.498 10 0 CEAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cc(F)ccc1Cl ZINC000282519100 375505004 /nfs/dbraw/zinc/50/50/04/375505004.db2.gz YATYJPQPDHWWMD-PELKAZGASA-N 1 0 270.735 2.236 10 0 CEAERO CC(C)Oc1cccc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)c1 ZINC000282516113 375505472 /nfs/dbraw/zinc/50/54/72/375505472.db2.gz XWTQOZUHKYPWLT-IUODEOHRSA-N 1 0 276.380 2.231 10 0 CEAERO C[C@@H](C[NH2+][C@@H](C)c1ccnn1C)N(C)C(=O)OC(C)(C)C ZINC000283167283 375667745 /nfs/dbraw/zinc/66/77/45/375667745.db2.gz IYTSCCUBOFAMHF-RYUDHWBXSA-N 1 0 296.415 2.326 10 0 CEAERO Cc1nc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(=O)[nH]1 ZINC000307223867 376560364 /nfs/dbraw/zinc/56/03/64/376560364.db2.gz KIEGKPJNDHMHOM-AWEZNQCLSA-N 1 0 284.363 2.177 10 0 CEAERO Cc1cc(-n2cc(I)cn2)cc(C)[nH+]1 ZINC000307307781 376562945 /nfs/dbraw/zinc/56/29/45/376562945.db2.gz NAJBZODTXWOHQB-UHFFFAOYSA-N 1 0 299.115 2.489 10 0 CEAERO C[C@H]([NH3+])C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000306321229 376545658 /nfs/dbraw/zinc/54/56/58/376545658.db2.gz BFXSFQGDCIRSFK-YFKPBYRVSA-N 1 0 277.549 2.388 10 0 CEAERO CC(C)[C@H]([NH3+])CCN(C)c1nnc(C(F)F)s1 ZINC000310318988 376621086 /nfs/dbraw/zinc/62/10/86/376621086.db2.gz WBNPYQPAMUMPJG-SSDOTTSWSA-N 1 0 264.345 2.285 10 0 CEAERO CCN1CCO[C@H](C[NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000165915677 542152404 /nfs/dbraw/zinc/15/24/04/542152404.db2.gz VWJJMAHTMLGRDL-CQSZACIVSA-N 1 0 284.350 2.435 10 0 CEAERO CCN1CC[C@H]([NH2+][C@@H](C)c2cccc(NC(C)=O)c2)C1 ZINC000328509328 376852586 /nfs/dbraw/zinc/85/25/86/376852586.db2.gz MVOJFXNSBPIGOP-LRDDRELGSA-N 1 0 275.396 2.390 10 0 CEAERO C[S@@](=N)(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000616568352 542153816 /nfs/dbraw/zinc/15/38/16/542153816.db2.gz ISOQWXFFJJSFMV-QGZVFWFLSA-N 1 0 252.383 2.328 10 0 CEAERO CCO[C@@H](CCNC(=O)N[C@H]1CCC[N@H+](CC)C1)C(C)C ZINC000174195359 249326032 /nfs/dbraw/zinc/32/60/32/249326032.db2.gz OCZOOIMNLGNPKV-GJZGRUSLSA-N 1 0 299.459 2.221 10 0 CEAERO COc1cc(F)cc(C[NH2+]C[C@@H](O)C(C)(C)C)c1 ZINC000312445836 249372491 /nfs/dbraw/zinc/37/24/91/249372491.db2.gz PVQDAJTVFVDUCU-CYBMUJFWSA-N 1 0 255.333 2.331 10 0 CEAERO C[C@H]1[C@H](O)CCCN1Cc1nc(-c2cccs2)no1 ZINC000296185813 378445631 /nfs/dbraw/zinc/44/56/31/378445631.db2.gz LMFQUZNSRIALIU-VHSXEESVSA-N 1 0 279.365 2.143 10 0 CEAERO Cc1c(Cl)cccc1NC(=O)CN1CCC[C@H](O)[C@H]1C ZINC000296357093 378501841 /nfs/dbraw/zinc/50/18/41/378501841.db2.gz RXIFYCPNYPRXMN-RISCZKNCSA-N 1 0 296.798 2.432 10 0 CEAERO C[N@@H+]1CCCN(C(=O)N[C@H]2CCc3ccccc32)CC1 ZINC000298770675 378826759 /nfs/dbraw/zinc/82/67/59/378826759.db2.gz RDNNMCYMPQJHKT-HNNXBMFYSA-N 1 0 273.380 2.021 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C[C@H]1CCO[C@@H]1C ZINC000300625729 379177513 /nfs/dbraw/zinc/17/75/13/379177513.db2.gz MWLFFIKNGAOCLF-KLHDSHLOSA-N 1 0 266.429 2.360 10 0 CEAERO COC[C@@H]1CN(c2cc[nH+]c3c(C)cccc23)CCO1 ZINC000301638124 379291646 /nfs/dbraw/zinc/29/16/46/379291646.db2.gz AJNUEBYEHGJLFG-ZDUSSCGKSA-N 1 0 272.348 2.395 10 0 CEAERO CCC[C@@H](C)[N@H+](C)Cc1ncccc1C(=O)OC ZINC000302420993 379369713 /nfs/dbraw/zinc/36/97/13/379369713.db2.gz UGZVHVWGVXRRGF-LLVKDONJSA-N 1 0 250.342 2.489 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1c(Cl)cccc1Cl ZINC000518687402 379401248 /nfs/dbraw/zinc/40/12/48/379401248.db2.gz LGLVOWUOASCLHW-RKDXNWHRSA-N 1 0 287.190 2.465 10 0 CEAERO C[C@]1(CO)C[N@@H+](C[C@@H]2CCCCC2(F)F)C[C@@]1(C)CO ZINC000528752867 380079256 /nfs/dbraw/zinc/07/92/56/380079256.db2.gz GMQAKZYJOAVXMB-MELADBBJSA-N 1 0 291.382 2.125 10 0 CEAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1cccc(F)c1Cl ZINC000334437889 380411966 /nfs/dbraw/zinc/41/19/66/380411966.db2.gz ITTFVZDHOQMZSH-LDYMZIIASA-N 1 0 270.735 2.236 10 0 CEAERO CSC[C@@H](C)[NH2+][C@H]1CC(=O)N(C)c2ccccc21 ZINC000131539608 295611788 /nfs/dbraw/zinc/61/17/88/295611788.db2.gz IPHQCJKCTGCSMR-PWSUYJOCSA-N 1 0 264.394 2.435 10 0 CEAERO CC(C)(C)n1cc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)cn1 ZINC000188418958 542322590 /nfs/dbraw/zinc/32/25/90/542322590.db2.gz IZFVHOIKOQJAAK-OAHLLOKOSA-N 1 0 287.411 2.499 10 0 CEAERO CC[C@@](C)(O)C[N@@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000191620055 542343444 /nfs/dbraw/zinc/34/34/44/542343444.db2.gz KTFAZBPFXWZXQJ-XJKSGUPXSA-N 1 0 280.387 2.497 10 0 CEAERO C[C@H]([NH3+])[C@H](N1CCc2ccccc2CC1)C(F)(F)F ZINC000079570326 184592749 /nfs/dbraw/zinc/59/27/49/184592749.db2.gz INNYTGSQEBKQTE-GWCFXTLKSA-N 1 0 272.314 2.365 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(S[C@@H]2CCOC2=O)cc1 ZINC000079578466 184594152 /nfs/dbraw/zinc/59/41/52/184594152.db2.gz KNANRIGNMRHNAA-JOYOIKCWSA-N 1 0 251.351 2.375 10 0 CEAERO CN(C[C@](CO)([NH2+]C1CC1)C1CC1)c1ccccc1 ZINC000085218517 184606544 /nfs/dbraw/zinc/60/65/44/184606544.db2.gz FQTGWKNVIGXTDN-MRXNPFEDSA-N 1 0 260.381 2.016 10 0 CEAERO CCCC1([NH3+])CN(c2ncc(Br)cc2C)C1 ZINC000086709902 184609682 /nfs/dbraw/zinc/60/96/82/184609682.db2.gz NRAYVBGSOOWXMQ-UHFFFAOYSA-N 1 0 284.201 2.470 10 0 CEAERO CN(C)C(=O)CCCOC1(C[NH3+])CCC(C)(C)CC1 ZINC000086712097 184610613 /nfs/dbraw/zinc/61/06/13/184610613.db2.gz VRZCOOLSANHSNM-UHFFFAOYSA-N 1 0 270.417 2.169 10 0 CEAERO Fc1cc(N[C@@H]2CC[NH2+]C2)ccc1Br ZINC000086730685 184611493 /nfs/dbraw/zinc/61/14/93/184611493.db2.gz JGTPYZJHANEPLG-MRVPVSSYSA-N 1 0 259.122 2.362 10 0 CEAERO C[NH2+][C@H](CC[C@H]1CCCO1)c1ccc2c(c1)CC(=O)N2C ZINC000087213351 184612993 /nfs/dbraw/zinc/61/29/93/184612993.db2.gz MDXJROMFXOLXDK-HUUCEWRRSA-N 1 0 288.391 2.425 10 0 CEAERO CC[NH2+]Cc1c(C)oc(C)c1S(=O)(=O)N(CC)CC ZINC000088906486 184613671 /nfs/dbraw/zinc/61/36/71/184613671.db2.gz WMIRYUQPPVVILA-UHFFFAOYSA-N 1 0 288.413 2.036 10 0 CEAERO CCC[NH2+]CCc1ccc(S(=O)(=O)N(C)C2CC2)cc1 ZINC000088941270 184614851 /nfs/dbraw/zinc/61/48/51/184614851.db2.gz BXCLVKYZADVHBJ-UHFFFAOYSA-N 1 0 296.436 2.012 10 0 CEAERO CC[C@H](C)N(C)S(=O)(=O)c1ccc(CCC[NH2+]C)cc1 ZINC000088949697 184615017 /nfs/dbraw/zinc/61/50/17/184615017.db2.gz ILZLCCGCKUSVPZ-ZDUSSCGKSA-N 1 0 298.452 2.258 10 0 CEAERO CC[C@H](C)N(CC)S(=O)(=O)c1csc(C[NH2+]C)c1 ZINC000088950844 184615139 /nfs/dbraw/zinc/61/51/39/184615139.db2.gz VBLOJXHDLVPARK-JTQLQIEISA-N 1 0 290.454 2.277 10 0 CEAERO CCN(C[C@@](C)(O)C[NH2+]C(C)C)c1ccccc1 ZINC000090817662 184618319 /nfs/dbraw/zinc/61/83/19/184618319.db2.gz DMNIFAIWJZDSLJ-HNNXBMFYSA-N 1 0 250.386 2.262 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@@H](Sc1nncs1)C2 ZINC000092860567 184632755 /nfs/dbraw/zinc/63/27/55/184632755.db2.gz QWKXTGAPPOZHJX-QWRGUYRKSA-N 1 0 279.390 2.264 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@H](S[C@H](C)CCO)C2 ZINC000092861045 184632435 /nfs/dbraw/zinc/63/24/35/184632435.db2.gz GYRQRDPIEGAAIE-FZQKWOKYSA-N 1 0 267.394 2.124 10 0 CEAERO COCC[NH2+]C[C@@H]1CCO[C@@H]1c1cccc(COC)c1 ZINC000092882380 184633501 /nfs/dbraw/zinc/63/35/01/184633501.db2.gz MCXLLTMCASOPMB-JKSUJKDBSA-N 1 0 279.380 2.147 10 0 CEAERO Cc1nc(-c2ccccc2N[C@H]2CC[C@H]([NH3+])C2)n[nH]1 ZINC000093206485 184655692 /nfs/dbraw/zinc/65/56/92/184655692.db2.gz BGBZPGXGHCFPCU-QWRGUYRKSA-N 1 0 257.341 2.072 10 0 CEAERO C[NH2+]C[C@@H](c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000093166103 184652589 /nfs/dbraw/zinc/65/25/89/184652589.db2.gz UZQSRLVKZOXSHM-YPMHNXCESA-N 1 0 287.812 2.078 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC1CC(c2ccccc2)C1 ZINC000335164373 207814874 /nfs/dbraw/zinc/81/48/74/207814874.db2.gz RFRCMEVFRIKEOE-HOJRLLLISA-N 1 0 272.392 2.437 10 0 CEAERO Cn1nc(Br)cc1[C@H]1[NH2+]CCc2sccc21 ZINC000709304767 542374469 /nfs/dbraw/zinc/37/44/69/542374469.db2.gz KBMUOOWUIFPFJA-NSHDSACASA-N 1 0 298.209 2.479 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(C)ccn1 ZINC000392906220 542375341 /nfs/dbraw/zinc/37/53/41/542375341.db2.gz UVHNNPRNXDEELW-CVEARBPZSA-N 1 0 259.397 2.449 10 0 CEAERO C[C@H](C[C@H]1CCCC[NH2+]1)Nc1ccc(F)c(C(N)=O)c1 ZINC000093485038 184682118 /nfs/dbraw/zinc/68/21/18/184682118.db2.gz OJVIAMRCAGDNED-GHMZBOCLSA-N 1 0 279.359 2.257 10 0 CEAERO CC[C@H](C)[C@H](N[C@@H](C)C[C@@H]1CCCCC[NH2+]1)C(=O)OC ZINC000093515396 184686662 /nfs/dbraw/zinc/68/66/62/184686662.db2.gz DJANZVCXNXOZRV-AJNGGQMLSA-N 1 0 284.444 2.475 10 0 CEAERO CCN1C(=[NH2+])NC[C@@]1(C)c1ccc(OC(F)(F)F)cc1 ZINC000093357875 184667780 /nfs/dbraw/zinc/66/77/80/184667780.db2.gz ZVALJYUWXJHNPM-LBPRGKRZSA-N 1 0 287.285 2.451 10 0 CEAERO COc1ccccc1C[C@@]1(C)CNC(=[NH2+])N1C(C)C ZINC000093374189 184668019 /nfs/dbraw/zinc/66/80/19/184668019.db2.gz VAFVDUNIVSZNRR-HNNXBMFYSA-N 1 0 261.369 2.035 10 0 CEAERO CCCN1C(=[NH2+])NC[C@]1(C)c1c(F)cccc1F ZINC000093373310 184668044 /nfs/dbraw/zinc/66/80/44/184668044.db2.gz FIZPPYXHGIOCQH-CYBMUJFWSA-N 1 0 253.296 2.220 10 0 CEAERO Cc1ccc(N2C(=[NH2+])NCC23CCSCC3)cc1 ZINC000093377050 184668623 /nfs/dbraw/zinc/66/86/23/184668623.db2.gz QELHCYUMKLBADV-UHFFFAOYSA-N 1 0 261.394 2.396 10 0 CEAERO COc1cccc(N2C(N)=[NH+]C[C@@]23CC[C@@H](C)C3)c1 ZINC000093387971 184669514 /nfs/dbraw/zinc/66/95/14/184669514.db2.gz PXXOBBHUSKKVNF-ABAIWWIYSA-N 1 0 259.353 2.389 10 0 CEAERO CCOc1ccccc1[C@H]1CNC(=[NH2+])N1CC1CC1 ZINC000093393520 184670485 /nfs/dbraw/zinc/67/04/85/184670485.db2.gz WYGYTWKPWSQTHZ-CYBMUJFWSA-N 1 0 259.353 2.167 10 0 CEAERO COc1ccc(N)c(SC[C@H]2CCC[NH2+]C2)c1 ZINC000093412571 184671559 /nfs/dbraw/zinc/67/15/59/184671559.db2.gz LTCNVMUUABBIMN-JTQLQIEISA-N 1 0 252.383 2.369 10 0 CEAERO CN(CCC(F)(F)F)c1cccc(F)c1C(N)=[NH2+] ZINC000093409002 184671802 /nfs/dbraw/zinc/67/18/02/184671802.db2.gz IGFSHJRDWQDLSW-UHFFFAOYSA-N 1 0 263.238 2.498 10 0 CEAERO c1ccc2c(c1)C[C@H]2C[NH+]1CCC(C2OCCO2)CC1 ZINC000287185595 196798258 /nfs/dbraw/zinc/79/82/58/196798258.db2.gz HLMNFKZWHOFWPV-HNNXBMFYSA-N 1 0 273.376 2.411 10 0 CEAERO C[NH2+][C@H]1CCOC[C@H]1Sc1ncccc1Cl ZINC000081896582 177879863 /nfs/dbraw/zinc/87/98/63/177879863.db2.gz OHYPAVZZRAUHGJ-VHSXEESVSA-N 1 0 258.774 2.204 10 0 CEAERO CC[C@@H](Sc1n[nH]c(=O)n1CC)[C@@H]([NH3+])c1ccccc1 ZINC000081879982 177874268 /nfs/dbraw/zinc/87/42/68/177874268.db2.gz XXBWZVWFYIKUJW-NEPJUHHUSA-N 1 0 292.408 2.162 10 0 CEAERO CCn1c(S[C@@H](C)[C@@H]([NH3+])c2ccc(C)cc2)n[nH]c1=O ZINC000081879987 177874012 /nfs/dbraw/zinc/87/40/12/177874012.db2.gz YGJKPANERRNZNG-CMPLNLGQSA-N 1 0 292.408 2.080 10 0 CEAERO CCC[NH2+][C@@H](CC)[C@H](C)Sc1n[nH]c(=O)n1CCC ZINC000081879330 177873515 /nfs/dbraw/zinc/87/35/15/177873515.db2.gz CUGXRGOFLBLLSS-QWRGUYRKSA-N 1 0 286.445 2.240 10 0 CEAERO CC[NH2+][C@@H](C)CCCSc1nnc(N(C)C)s1 ZINC000081769558 177856902 /nfs/dbraw/zinc/85/69/02/177856902.db2.gz NERWTBZFKPBKRP-VIFPVBQESA-N 1 0 274.459 2.474 10 0 CEAERO COc1ccc([C@@H]([NH3+])[C@@H](C)Sc2nncn2C)cc1 ZINC000081867301 177867008 /nfs/dbraw/zinc/86/70/08/177867008.db2.gz ZOAPLSNFXBXBAL-SKDRFNHKSA-N 1 0 278.381 2.004 10 0 CEAERO CC[NH2+][C@@H](c1ccc(OC)cc1)[C@H](C)SCCO ZINC000081797065 177862742 /nfs/dbraw/zinc/86/27/42/177862742.db2.gz FBLOLOQCUJBNFQ-SMDDNHRTSA-N 1 0 269.410 2.460 10 0 CEAERO CCCNC(=O)N1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000081768170 177856248 /nfs/dbraw/zinc/85/62/48/177856248.db2.gz LCRKFCGMYIODHC-AWEZNQCLSA-N 1 0 267.417 2.350 10 0 CEAERO CCOCCC(=O)N1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000081767951 177855299 /nfs/dbraw/zinc/85/52/99/177855299.db2.gz FZNYTAAXMIPJKV-HNNXBMFYSA-N 1 0 282.428 2.184 10 0 CEAERO C[C@H]([NH3+])[C@@H](Oc1cncc(Cl)c1)C(F)(F)F ZINC000081697334 177840632 /nfs/dbraw/zinc/84/06/32/177840632.db2.gz OQCIQQDCCGQHTG-YLWLKBPMSA-N 1 0 254.639 2.392 10 0 CEAERO Nc1ccc2ncnc(NCCC[NH+]3CCCC3)c2c1 ZINC000081592840 177827752 /nfs/dbraw/zinc/82/77/52/177827752.db2.gz RBWXUFWZWUBYKB-UHFFFAOYSA-N 1 0 271.368 2.110 10 0 CEAERO COC[C@H]1CCN(C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000081110569 177771239 /nfs/dbraw/zinc/77/12/39/177771239.db2.gz ZNCFZCCRDLZOKM-NEPJUHHUSA-N 1 0 277.368 2.207 10 0 CEAERO CCOC(=O)C[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC000080686053 177691095 /nfs/dbraw/zinc/69/10/95/177691095.db2.gz ILUUBPBZOMSPCD-ZDUSSCGKSA-N 1 0 257.374 2.077 10 0 CEAERO CC(C)[NH2+][C@H]1CCCN([C@H](C)c2nccs2)C1=O ZINC000080331609 177642700 /nfs/dbraw/zinc/64/27/00/177642700.db2.gz HYUZDUAGTIPODK-MNOVXSKESA-N 1 0 267.398 2.193 10 0 CEAERO Cc1ccc(C[NH3+])cc1S(=O)(=O)N(CC1CC1)C1CC1 ZINC000080366966 177645700 /nfs/dbraw/zinc/64/57/00/177645700.db2.gz FYRJKBIWUKOXAE-UHFFFAOYSA-N 1 0 294.420 2.017 10 0 CEAERO CC[NH2+][C@@]1(CO)CCC[C@@H]1CCN(C)CC(F)(F)F ZINC000093617111 184695982 /nfs/dbraw/zinc/69/59/82/184695982.db2.gz BLBYKLFOGNTHRD-VXGBXAGGSA-N 1 0 282.350 2.011 10 0 CEAERO CCC[NH2+][C@@]1(CO)CCC[C@@H]1CCn1nccc1C ZINC000093619050 184696489 /nfs/dbraw/zinc/69/64/89/184696489.db2.gz DHMFOBRYQGBAFM-HUUCEWRRSA-N 1 0 265.401 2.112 10 0 CEAERO CCC[NH2+][C@@]1(CO)CCC[C@H]1CCn1ccc(C)n1 ZINC000093619084 184696670 /nfs/dbraw/zinc/69/66/70/184696670.db2.gz HFTOQPDHMBIMHW-LSDHHAIUSA-N 1 0 265.401 2.112 10 0 CEAERO CC(C)[NH2+][C@@]1(CO)CCC[C@H]1CCOCC1CCOCC1 ZINC000093619372 184696865 /nfs/dbraw/zinc/69/68/65/184696865.db2.gz OEJXRRDYFFKOFG-DLBZAZTESA-N 1 0 299.455 2.349 10 0 CEAERO CCC[NH2+][C@]1(CO)CCC[C@H]1CCOC[C@@H]1CCCCO1 ZINC000093620547 184697184 /nfs/dbraw/zinc/69/71/84/184697184.db2.gz YWFSOIRYMRISPI-ULQDDVLXSA-N 1 0 299.455 2.493 10 0 CEAERO CC[NH2+][C@]1(CO)CCC[C@H]1CCSc1nccn1C ZINC000093623805 184697568 /nfs/dbraw/zinc/69/75/68/184697568.db2.gz WPKFYJLYEYZWPQ-JSGCOSHPSA-N 1 0 283.441 2.043 10 0 CEAERO CC[NH2+][C@@]1(CO)CCC[C@H]1CCSc1cnccn1 ZINC000093622250 184697611 /nfs/dbraw/zinc/69/76/11/184697611.db2.gz BKNNXBMLZYVCHP-GXTWGEPZSA-N 1 0 281.425 2.100 10 0 CEAERO CC[NH2+][C@@H]1CCC[C@H]1CCS(=O)(=O)C(C)(C)C ZINC000093623101 184697829 /nfs/dbraw/zinc/69/78/29/184697829.db2.gz OFZAVUKLQKVOKI-NWDGAFQWSA-N 1 0 261.431 2.368 10 0 CEAERO [NH3+]C[C@]1(O)CCC[C@H]1CCOc1ccc(F)cc1 ZINC000093628075 184698821 /nfs/dbraw/zinc/69/88/21/184698821.db2.gz RCAYOTPVEUJZAK-SMDDNHRTSA-N 1 0 253.317 2.085 10 0 CEAERO CCC[C@@]1(C(=O)Nc2cccc(C)c2O)CC[NH2+]C1 ZINC000093654891 184703586 /nfs/dbraw/zinc/70/35/86/184703586.db2.gz GWZMDHVVEMOUOU-OAHLLOKOSA-N 1 0 262.353 2.419 10 0 CEAERO CCc1nc2ccccc2n1-c1ncccc1C(N)=[NH2+] ZINC000093655665 184703830 /nfs/dbraw/zinc/70/38/30/184703830.db2.gz SCLIAPFJQWDGTB-UHFFFAOYSA-N 1 0 265.320 2.267 10 0 CEAERO CC(=O)c1ccc(N2CC[C@@H]([NH+]3CCCC3)C2)cc1O ZINC000093669496 184704175 /nfs/dbraw/zinc/70/41/75/184704175.db2.gz YVELGVJLALOVPO-CQSZACIVSA-N 1 0 274.364 2.269 10 0 CEAERO CO[C@H](C)[C@H]([NH3+])Cc1ccc(OC(F)(F)F)cc1 ZINC000093690050 184707089 /nfs/dbraw/zinc/70/70/89/184707089.db2.gz TYJCMKWJNLYISC-LDYMZIIASA-N 1 0 263.259 2.490 10 0 CEAERO COC(=O)C(C)(C)CO[C@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000093703204 184708079 /nfs/dbraw/zinc/70/80/79/184708079.db2.gz ASBUZBQLWFSPEM-BXUZGUMPSA-N 1 0 257.374 2.110 10 0 CEAERO Cc1ccc([C@@H]([NH3+])C[C@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000093699820 184708089 /nfs/dbraw/zinc/70/80/89/184708089.db2.gz WMJKZZDVHDLRKG-HIFRSBDPSA-N 1 0 296.436 2.057 10 0 CEAERO CC[NH2+][C@@]1(C(=O)[O-])CCC[C@H]([NH+]2CCC(C)CC2)C1 ZINC000093748397 184713282 /nfs/dbraw/zinc/71/32/82/184713282.db2.gz JZAKVPDYXMMRGG-ZFWWWQNUSA-N 1 0 268.401 2.094 10 0 CEAERO C[NH2+][C@]1(CO)CCC[C@H](n2nc(C)c(Cl)c2C)C1 ZINC000093783934 184720846 /nfs/dbraw/zinc/72/08/46/184720846.db2.gz DJMRETKASGEWIZ-WCQYABFASA-N 1 0 271.792 2.219 10 0 CEAERO COCCCS[C@@H]1CCC[C@@](CO)([NH2+]C(C)C)C1 ZINC000093786311 184721888 /nfs/dbraw/zinc/72/18/88/184721888.db2.gz ARTWUFRSOSDNEI-ZIAGYGMSSA-N 1 0 275.458 2.428 10 0 CEAERO CC[NH2+][C@]1(CO)CCC[C@H](O[C@@H](C)C(F)(F)F)C1 ZINC000093785945 184722107 /nfs/dbraw/zinc/72/21/07/184722107.db2.gz WGSYBKBFFAPHSE-GARJFASQSA-N 1 0 269.307 2.237 10 0 CEAERO CCCCOCCO[C@H]1CCC[C@](CO)([NH2+]C2CC2)C1 ZINC000093784868 184722242 /nfs/dbraw/zinc/72/22/42/184722242.db2.gz IGZUKBFRDLISGK-HOTGVXAUSA-N 1 0 285.428 2.245 10 0 CEAERO CCC[NH2+][C@@H](c1ccccc1F)[C@H]1CN(C)CCN1C ZINC000093895977 184740825 /nfs/dbraw/zinc/74/08/25/184740825.db2.gz JNMYJNBJXANCPP-CVEARBPZSA-N 1 0 279.403 2.112 10 0 CEAERO CCC[NH2+][C@H](C1CCCC1)[C@H]1CN(CC)CCO1 ZINC000093915480 184742261 /nfs/dbraw/zinc/74/22/61/184742261.db2.gz GZKIPXMJOPIHFO-HUUCEWRRSA-N 1 0 254.418 2.266 10 0 CEAERO CCCN(CC1CC[NH2+]CC1)C(=O)[C@H]1CCCS1 ZINC000094022748 184750967 /nfs/dbraw/zinc/75/09/67/184750967.db2.gz INIJKQBBZFYAFP-CYBMUJFWSA-N 1 0 270.442 2.120 10 0 CEAERO CCCN(CC1CC[NH2+]CC1)c1nc(C)ns1 ZINC000094043816 184752137 /nfs/dbraw/zinc/75/21/37/184752137.db2.gz QCQHVDULIFJFME-UHFFFAOYSA-N 1 0 254.403 2.063 10 0 CEAERO Nc1ccc2c(c1)CC[C@H]2[NH2+]CCc1cccnc1 ZINC000094086382 184754719 /nfs/dbraw/zinc/75/47/19/184754719.db2.gz SMJIYSBHGPZKLE-MRXNPFEDSA-N 1 0 253.349 2.483 10 0 CEAERO C[NH2+][C@H](Cc1ccccn1)[C@H]1CCc2cccnc21 ZINC000094116334 184756144 /nfs/dbraw/zinc/75/61/44/184756144.db2.gz MCRRFMRSPSMQMZ-HUUCEWRRSA-N 1 0 253.349 2.337 10 0 CEAERO Cc1cscc1C(=O)N[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000094248322 184769848 /nfs/dbraw/zinc/76/98/48/184769848.db2.gz PDNLEPNBRDRAKF-NWDGAFQWSA-N 1 0 252.383 2.446 10 0 CEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C(=O)c1cscc1C ZINC000094248430 184769873 /nfs/dbraw/zinc/76/98/73/184769873.db2.gz ACYSBKPBWOEVCR-NTZNESFSSA-N 1 0 264.394 2.127 10 0 CEAERO CC1(C)CCC[C@H](C[NH+]2CCC(CO)CC2)C1=O ZINC000094285317 184774965 /nfs/dbraw/zinc/77/49/65/184774965.db2.gz WSSMOEPHSZNIDP-CYBMUJFWSA-N 1 0 253.386 2.086 10 0 CEAERO CC1(C)CCC[C@H]([N@@H+]2CC[C@H](N3CCCC3)C2)[C@H]1O ZINC000094280456 184775163 /nfs/dbraw/zinc/77/51/63/184775163.db2.gz YNJOPDHIFKGJFV-SOUVJXGZSA-N 1 0 266.429 2.096 10 0 CEAERO CC1(C)CCC[C@@H](Sc2ncnc3[nH]cnc32)[C@@H]1[NH3+] ZINC000094283774 184775344 /nfs/dbraw/zinc/77/53/44/184775344.db2.gz GCGZPTJDAVOYOI-SCZZXKLOSA-N 1 0 277.397 2.351 10 0 CEAERO CC(C)C[NH2+]Cc1cc(F)c(O[C@H]2CCOC2=O)c(F)c1 ZINC000094348055 184787137 /nfs/dbraw/zinc/78/71/37/184787137.db2.gz TVNSMEAOUDVDNF-ZDUSSCGKSA-N 1 0 299.317 2.405 10 0 CEAERO c1coc(CC[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000094368716 184790141 /nfs/dbraw/zinc/79/01/41/184790141.db2.gz JQAPSBJMGRIOIK-TZMCWYRMSA-N 1 0 267.394 2.466 10 0 CEAERO CCOC(=O)CC[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000094371375 184790223 /nfs/dbraw/zinc/79/02/23/184790223.db2.gz KACDGLBDBLYOOW-LBPRGKRZSA-N 1 0 255.358 2.021 10 0 CEAERO CC[NH2+]CCO[C@@H]1CCOC2(CCSCC2)C1 ZINC000094380923 184791814 /nfs/dbraw/zinc/79/18/14/184791814.db2.gz FFUSZERLCGKDBC-GFCCVEGCSA-N 1 0 259.415 2.057 10 0 CEAERO C[NH2+][C@H]1CCCN([C@@H]2CCOC3(CCSCC3)C2)C1 ZINC000094383890 184792273 /nfs/dbraw/zinc/79/22/73/184792273.db2.gz ODFWTFFWXNCSOS-UONOGXRCSA-N 1 0 284.469 2.115 10 0 CEAERO C[NH2+][C@@H]([C@@H]1CCCO1)[C@@H]1CCOC2(CCCC2)C1 ZINC000094405024 184793178 /nfs/dbraw/zinc/79/31/78/184793178.db2.gz RMOYBSGHQFWRBM-HZSPNIEDSA-N 1 0 253.386 2.493 10 0 CEAERO C[NH2+][C@@H]([C@@H]1CCCO1)[C@@H]1CCOC2(CCSCC2)C1 ZINC000094405032 184793301 /nfs/dbraw/zinc/79/33/01/184793301.db2.gz KLQPIEQSLBGSIK-HZSPNIEDSA-N 1 0 285.453 2.446 10 0 CEAERO CC[NH2+][C@@H](c1cnn(C)c1)[C@@H]1CCOC2(CCOCC2)C1 ZINC000094404867 184793379 /nfs/dbraw/zinc/79/33/79/184793379.db2.gz IDMQGYBJJSCFCS-UKRRQHHQSA-N 1 0 293.411 2.047 10 0 CEAERO C[NH2+][C@@H](CN(C)C)[C@@H]1CCOC2(CCCCC2)C1 ZINC000094407389 184794155 /nfs/dbraw/zinc/79/41/55/184794155.db2.gz UGNQDAMYNIXWSD-KGLIPLIRSA-N 1 0 254.418 2.266 10 0 CEAERO CCC[NH2+]Cc1ncnn1[C@H]1CCOC2(CCCC2)C1 ZINC000094412807 184794305 /nfs/dbraw/zinc/79/43/05/184794305.db2.gz QHVVJDIVTQIUNI-ZDUSSCGKSA-N 1 0 278.400 2.442 10 0 CEAERO C[C@@H]1CC[NH2+][C@H]([C@@H]2CCOC3(CCOCC3)C2)C1 ZINC000094413954 184794484 /nfs/dbraw/zinc/79/44/84/184794484.db2.gz ISTLBWFNTAEWTP-MCIONIFRSA-N 1 0 253.386 2.350 10 0 CEAERO CC(C)C[NH2+]C[C@](C)(O)[C@@H]1CCOC2(CCC2)C1 ZINC000094418942 184795083 /nfs/dbraw/zinc/79/50/83/184795083.db2.gz DGRQUIYKGOXWHJ-KGLIPLIRSA-N 1 0 255.402 2.332 10 0 CEAERO CC[C@H](C)N1C(N)=[NH+]C[C@]12CC(C)(C)OC2(C)C ZINC000094427011 184796693 /nfs/dbraw/zinc/79/66/93/184796693.db2.gz VDZUKKJZHYHBDX-HZMBPMFUSA-N 1 0 253.390 2.132 10 0 CEAERO CCC[NH2+][C@H](Cc1cnn(CC)c1)[C@]1(C)CCCO1 ZINC000094784413 184862639 /nfs/dbraw/zinc/86/26/39/184862639.db2.gz DBTZJDYNFLUYIJ-CABCVRRESA-N 1 0 265.401 2.383 10 0 CEAERO CC[NH2+][C@@H](Cc1cc(CC)nn1C)[C@@]1(C)CCCO1 ZINC000094784198 184863187 /nfs/dbraw/zinc/86/31/87/184863187.db2.gz LRTVMMIUMFVGOB-LSDHHAIUSA-N 1 0 265.401 2.072 10 0 CEAERO CCC1(CC)CCN(S(=O)(=O)[C@H](C)C[NH2+]C(C)C)C1 ZINC000094815092 184872898 /nfs/dbraw/zinc/87/28/98/184872898.db2.gz VWLOKAKXYSVAGJ-CYBMUJFWSA-N 1 0 290.473 2.215 10 0 CEAERO C[C@H]1C[C@H]([NH3+])CN(C(=O)c2ccccc2Cl)C1 ZINC000094548723 184815749 /nfs/dbraw/zinc/81/57/49/184815749.db2.gz BRPAOIGHBXTCGG-UWVGGRQHSA-N 1 0 252.745 2.149 10 0 CEAERO C[C@@H](C[NH3+])C(=O)NC12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000094544479 184816004 /nfs/dbraw/zinc/81/60/04/184816004.db2.gz LDVQDIWPZVYTEJ-YOGGUKIVSA-N 1 0 264.413 2.446 10 0 CEAERO [NH3+]C[C@H]1CC[C@H](c2nc(C3CCCCC3)no2)O1 ZINC000094560776 184817384 /nfs/dbraw/zinc/81/73/84/184817384.db2.gz DZMVPAOQZCQAGD-GHMZBOCLSA-N 1 0 251.330 2.296 10 0 CEAERO [NH3+]C[C@H]1CC[C@@H](c2nc(C3(c4ccccc4)CC3)no2)O1 ZINC000094561039 184818443 /nfs/dbraw/zinc/81/84/43/184818443.db2.gz QFMLNTFVZHSVKG-OLZOCXBDSA-N 1 0 285.347 2.328 10 0 CEAERO Cc1ccc2nc(NCC[NH+]3CCCCCC3)nn2c1 ZINC000094603893 184824979 /nfs/dbraw/zinc/82/49/79/184824979.db2.gz KEXCARTWYDWOSY-UHFFFAOYSA-N 1 0 273.384 2.326 10 0 CEAERO Clc1ccc2nc(NC3C[C@H]4CC[C@@H](C3)[NH2+]4)nn2c1 ZINC000094607567 184825323 /nfs/dbraw/zinc/82/53/23/184825323.db2.gz QKHGYTREMMWUJH-ZACCUICWSA-N 1 0 277.759 2.078 10 0 CEAERO COc1ccc(Cc2noc([C@@H]3CCCC[C@H]3[NH3+])n2)cn1 ZINC000094631208 184829932 /nfs/dbraw/zinc/82/99/32/184829932.db2.gz RDDNHYFPPXOQNH-VXGBXAGGSA-N 1 0 288.351 2.049 10 0 CEAERO C[NH2+]Cc1ccc(O[C@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000094634435 184830932 /nfs/dbraw/zinc/83/09/32/184830932.db2.gz WZGXEUVZIDVNLN-GJZGRUSLSA-N 1 0 297.420 2.141 10 0 CEAERO C[C@@H]1CCCC[C@]1([NH3+])[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094640110 184832198 /nfs/dbraw/zinc/83/21/98/184832198.db2.gz DBGKTLUWEMRHNL-YIYPIFLZSA-N 1 0 273.442 2.497 10 0 CEAERO CC1CCC(CNC(=O)[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000094648385 184834097 /nfs/dbraw/zinc/83/40/97/184834097.db2.gz ZDKZUEXWTYBIJJ-HHTDUIENSA-N 1 0 252.402 2.317 10 0 CEAERO CC[NH2+][C@@H](c1cc(OC)cc(OC)c1)[C@H]1CSCCO1 ZINC000094651672 184835095 /nfs/dbraw/zinc/83/50/95/184835095.db2.gz BHPUPQLIPSGQIP-CABCVRRESA-N 1 0 297.420 2.486 10 0 CEAERO Cc1ncccc1OC[C@H]1CC[C@@H](C[NH2+]C2CC2)O1 ZINC000094674034 184838091 /nfs/dbraw/zinc/83/80/91/184838091.db2.gz LHNCGKKWFJCIQG-UONOGXRCSA-N 1 0 262.353 2.068 10 0 CEAERO COC(=O)c1cc(NCC(C)(C)C[NH+](C)C)cc(C)c1N ZINC000094694053 184840366 /nfs/dbraw/zinc/84/03/66/184840366.db2.gz QNVRPEFBAGOUHV-UHFFFAOYSA-N 1 0 293.411 2.364 10 0 CEAERO CC(C)C[C@@H](C[NH3+])C(=O)N[C@@H](C)Cc1cccs1 ZINC000094697685 184841466 /nfs/dbraw/zinc/84/14/66/184841466.db2.gz MKJLTTNXTTVFAK-RYUDHWBXSA-N 1 0 268.426 2.416 10 0 CEAERO COC(=O)Nc1ccc(NC(=O)[C@H](C[NH3+])CC(C)C)cc1 ZINC000094698019 184841607 /nfs/dbraw/zinc/84/16/07/184841607.db2.gz UQILZNRPFBCFEZ-NSHDSACASA-N 1 0 293.367 2.424 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)Cc1cccc(F)c1F ZINC000094713627 184845654 /nfs/dbraw/zinc/84/56/54/184845654.db2.gz LUFHCBPDLLMLFG-QWHCGFSZSA-N 1 0 296.361 2.496 10 0 CEAERO COc1cc([C@H](C)[NH2+]CC2(C)COC2)ccc1O ZINC000094721541 184846288 /nfs/dbraw/zinc/84/62/88/184846288.db2.gz CXGZSYHTDSSAKZ-JTQLQIEISA-N 1 0 251.326 2.088 10 0 CEAERO C[NH2+][C@H](Cc1nc(C)c(C)s1)C[C@@H]1CCCO1 ZINC000094972671 184909249 /nfs/dbraw/zinc/90/92/49/184909249.db2.gz SHMZKHCUNUREFN-RYUDHWBXSA-N 1 0 254.399 2.460 10 0 CEAERO Cc1nc(CN2C[C@@H](C)[NH2+]C[C@@H]2C2CC2)sc1C ZINC000094979353 184909933 /nfs/dbraw/zinc/90/99/33/184909933.db2.gz YXGGNXFKNQWCRM-NOZJJQNGSA-N 1 0 265.426 2.332 10 0 CEAERO COc1ccccc1[C@@H]([C@@H](C)[NH3+])N(C)CCOCC1CC1 ZINC000094983867 184910133 /nfs/dbraw/zinc/91/01/33/184910133.db2.gz DVBZOAPWTPZQRA-CXAGYDPISA-N 1 0 292.423 2.442 10 0 CEAERO CCC[NH2+][C@H](C)c1ccnc(N2CCCOCC2)c1 ZINC000094999584 184911940 /nfs/dbraw/zinc/91/19/40/184911940.db2.gz VECVOHNMFIKQBQ-CYBMUJFWSA-N 1 0 263.385 2.369 10 0 CEAERO C[NH2+]C1CCC(NC(=O)Cc2ccc(F)cc2F)CC1 ZINC000095066385 184929938 /nfs/dbraw/zinc/92/99/38/184929938.db2.gz LCAWADPVUUYCLE-UHFFFAOYSA-N 1 0 282.334 2.154 10 0 CEAERO CN(C[C@H]1CCC[NH2+]C1)c1cccc(Br)n1 ZINC000095071055 184932724 /nfs/dbraw/zinc/93/27/24/184932724.db2.gz GEKYOPCUNRZNHH-JTQLQIEISA-N 1 0 284.201 2.280 10 0 CEAERO CN(C[C@@H]1CCC[NH2+]C1)c1cccc(Br)n1 ZINC000095071054 184933052 /nfs/dbraw/zinc/93/30/52/184933052.db2.gz GEKYOPCUNRZNHH-SNVBAGLBSA-N 1 0 284.201 2.280 10 0 CEAERO Brc1cc(COC[C@H]2CCC[NH2+]C2)ccn1 ZINC000095092330 184941032 /nfs/dbraw/zinc/94/10/32/184941032.db2.gz MGAIFEOFSUAUPU-NSHDSACASA-N 1 0 285.185 2.360 10 0 CEAERO CC[NH2+][C@@H]1COC[C@@H]1C(=O)N(CCC(C)C)C1CCCC1 ZINC000094847967 184880175 /nfs/dbraw/zinc/88/01/75/184880175.db2.gz GHESGDSECLAIQW-JKSUJKDBSA-N 1 0 296.455 2.428 10 0 CEAERO COc1ccc(F)c(N[C@@H]2C[NH+]3CCC2CC3)c1 ZINC000094854304 184881750 /nfs/dbraw/zinc/88/17/50/184881750.db2.gz GQOTUNRXTNRBJZ-CQSZACIVSA-N 1 0 250.317 2.340 10 0 CEAERO Cc1cscc1-c1noc([C@@H]2CC[C@H](C[NH3+])O2)n1 ZINC000094862926 184884049 /nfs/dbraw/zinc/88/40/49/184884049.db2.gz HXOZZILBHFHFBK-SCZZXKLOSA-N 1 0 265.338 2.285 10 0 CEAERO Cc1ccsc1CNC(=O)[C@H](C[NH3+])CC(C)C ZINC000094876441 184885312 /nfs/dbraw/zinc/88/53/12/184885312.db2.gz VDHUKCKLQAQNQQ-NSHDSACASA-N 1 0 254.399 2.294 10 0 CEAERO Cc1cscc1CNC(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000094877214 184886125 /nfs/dbraw/zinc/88/61/25/184886125.db2.gz XRGBTEOZHRBGMJ-YPMHNXCESA-N 1 0 266.410 2.438 10 0 CEAERO CC[NH2+][C@H](C)c1cccc(NC(=O)N[C@@H]2CCOC2)c1 ZINC000094890342 184888595 /nfs/dbraw/zinc/88/85/95/184888595.db2.gz AXTKWYCWVVKBPS-BXUZGUMPSA-N 1 0 277.368 2.268 10 0 CEAERO Cc1cc(CNC(=O)[C@H]2CC[C@H]([NH3+])C2)cc(C)c1F ZINC000094894631 184888849 /nfs/dbraw/zinc/88/88/49/184888849.db2.gz SYRXBKIIGVHLLN-STQMWFEESA-N 1 0 264.344 2.186 10 0 CEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C(=O)C1(C)CCCC1 ZINC000094906223 184890904 /nfs/dbraw/zinc/89/09/04/184890904.db2.gz IKUGZBXDMIEKAH-FRRDWIJNSA-N 1 0 250.386 2.023 10 0 CEAERO CCC1(C(=O)N2[C@H](C)C[C@@H]3C[NH2+]C[C@@H]32)CCCC1 ZINC000094905669 184891203 /nfs/dbraw/zinc/89/12/03/184891203.db2.gz MLDPAUMVZVWYFK-UPJWGTAASA-N 1 0 250.386 2.166 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)[C@@H]([NH3+])C(C)C)cc1F ZINC000094956335 184903633 /nfs/dbraw/zinc/90/36/33/184903633.db2.gz OJEMFLFGZGKTAY-MFKMUULPSA-N 1 0 252.333 2.295 10 0 CEAERO Cc1cc(F)ccc1CCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000094956080 184903772 /nfs/dbraw/zinc/90/37/72/184903772.db2.gz DYDZAANSJWCVDA-CYBMUJFWSA-N 1 0 278.371 2.183 10 0 CEAERO CCCOc1cc(NC[C@H](CC)CC[NH3+])ncn1 ZINC000094962503 184906089 /nfs/dbraw/zinc/90/60/89/184906089.db2.gz WZDJLEZOTAUZOD-LLVKDONJSA-N 1 0 252.362 2.052 10 0 CEAERO COCC[NH2+]C[C@@H]1CCCN(Cc2nc(C)c(C)s2)C1 ZINC000094967563 184907481 /nfs/dbraw/zinc/90/74/81/184907481.db2.gz XTCPCBIRHXBCEY-AWEZNQCLSA-N 1 0 297.468 2.208 10 0 CEAERO C[C@@H](CC(=O)N1CCO[C@@H](C[NH+](C)C)C1)C1CCCCC1 ZINC000116783519 533418872 /nfs/dbraw/zinc/41/88/72/533418872.db2.gz YQDWJLFQTLYFOI-HOCLYGCPSA-N 1 0 296.455 2.382 10 0 CEAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1csc(Cl)c1 ZINC000191353560 130225356 /nfs/dbraw/zinc/22/53/56/130225356.db2.gz XAENHSOLVZHJMG-KOLCDFICSA-N 1 0 274.817 2.383 10 0 CEAERO C[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1)[C@H]1CCCO1 ZINC000249683379 131122227 /nfs/dbraw/zinc/12/22/27/131122227.db2.gz IBJKJVSHVKBGHP-NJZAAPMLSA-N 1 0 299.798 2.237 10 0 CEAERO C[C@@H]1CN(Cc2cccnc2Cl)C[C@H]1[NH+](C)C ZINC000251545478 131129736 /nfs/dbraw/zinc/12/97/36/131129736.db2.gz AZACXXCJQROFGV-ZYHUDNBSSA-N 1 0 253.777 2.117 10 0 CEAERO C[S@](=O)Cc1cccc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000262283051 131208575 /nfs/dbraw/zinc/20/85/75/131208575.db2.gz LNLWHULMENNDTI-QAJFTPDKSA-N 1 0 294.420 2.021 10 0 CEAERO CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)[C@@H]([NH3+])C(C)C ZINC000262528008 131229614 /nfs/dbraw/zinc/22/96/14/131229614.db2.gz HICYHLRZFHYAIH-SWHYSGLUSA-N 1 0 282.359 2.001 10 0 CEAERO c1cnnc(N2CCC[C@H]([NH2+]C3CCCCC3)C2)c1 ZINC000174361339 285561081 /nfs/dbraw/zinc/56/10/81/285561081.db2.gz KSHTWAAAOCNWEH-AWEZNQCLSA-N 1 0 260.385 2.368 10 0 CEAERO C[C@H]1CCc2ccccc2N1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000042165409 134886161 /nfs/dbraw/zinc/88/61/61/134886161.db2.gz IEGDRBCEDSFLAD-JSGCOSHPSA-N 1 0 258.365 2.496 10 0 CEAERO C[NH2+]Cc1cccc(N2C[C@@H](C)S[C@H](C)C2)n1 ZINC000070385995 134946939 /nfs/dbraw/zinc/94/69/39/134946939.db2.gz HKSUIWCMEPAVND-GHMZBOCLSA-N 1 0 251.399 2.131 10 0 CEAERO CCCNC(=O)CN1CC[C@@H]([NH2+]CCC)c2ccccc21 ZINC000071378490 134965348 /nfs/dbraw/zinc/96/53/48/134965348.db2.gz UJZDAWXWBYDUPV-OAHLLOKOSA-N 1 0 289.423 2.464 10 0 CEAERO CC[C@H]1CN(c2ccccc2OC(F)F)CC[NH2+]1 ZINC000083415139 135019943 /nfs/dbraw/zinc/01/99/43/135019943.db2.gz UINJRXKPWOLLPI-JTQLQIEISA-N 1 0 256.296 2.476 10 0 CEAERO C[C@@H]1CN(c2ccccc2OC(F)F)[C@H](C)C[NH2+]1 ZINC000083415167 135020085 /nfs/dbraw/zinc/02/00/85/135020085.db2.gz CUYDDTQONBXMOE-NXEZZACHSA-N 1 0 256.296 2.475 10 0 CEAERO C[NH2+][C@](C)(CO)CCN1CCCc2cc(C)ccc21 ZINC000085216391 135035567 /nfs/dbraw/zinc/03/55/67/135035567.db2.gz LMZLFLGYFUHGDY-INIZCTEOSA-N 1 0 262.397 2.108 10 0 CEAERO c1cnc2cccc(N3CC[NH2+][C@H](C4CC4)C3)c2c1 ZINC000086122725 135038607 /nfs/dbraw/zinc/03/86/07/135038607.db2.gz SEFBIWAXOFMDGE-HNNXBMFYSA-N 1 0 253.349 2.423 10 0 CEAERO COCc1ccccc1N1CC[NH2+][C@@](C)(C2CC2)C1 ZINC000086143484 135039334 /nfs/dbraw/zinc/03/93/34/135039334.db2.gz HORFQZMIODEKOP-MRXNPFEDSA-N 1 0 260.381 2.411 10 0 CEAERO COc1cc(OC)cc(N2CC(C)(C)[NH2+]C[C@H]2C)c1 ZINC000086179219 135039865 /nfs/dbraw/zinc/03/98/65/135039865.db2.gz QBGREONDKSMQSU-LLVKDONJSA-N 1 0 264.369 2.281 10 0 CEAERO C[C@@H]1CCC[C@]1(C[NH3+])N1CCN(C)c2ccccc21 ZINC000086677320 135048275 /nfs/dbraw/zinc/04/82/75/135048275.db2.gz DRCJUQAFBFOBEX-CZUORRHYSA-N 1 0 259.397 2.460 10 0 CEAERO COC[C@H]([NH2+][C@H]1CC(=O)N(C)c2ccccc21)C(C)C ZINC000086682935 135048516 /nfs/dbraw/zinc/04/85/16/135048516.db2.gz AKOIRLOXIPVKPY-KBPBESRZSA-N 1 0 276.380 2.355 10 0 CEAERO [NH3+]C1(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000088131108 135052969 /nfs/dbraw/zinc/05/29/69/135052969.db2.gz YNJXTNNMDDKYKE-UHFFFAOYSA-N 1 0 299.340 2.319 10 0 CEAERO [NH3+][C@@H]1Cc2ccccc2N(C[C@@H]2Cc3ccccc3O2)C1 ZINC000090876277 135065996 /nfs/dbraw/zinc/06/59/96/135065996.db2.gz FTIASBMYFNNALU-CVEARBPZSA-N 1 0 280.371 2.380 10 0 CEAERO CCN(CC)C(=O)C[C@@H](C[NH3+])N1CCCc2ccccc21 ZINC000091322588 135067991 /nfs/dbraw/zinc/06/79/91/135067991.db2.gz WTQAARXFBNBXHB-HNNXBMFYSA-N 1 0 289.423 2.025 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCSc3ccccc32)C1 ZINC000091549080 135072113 /nfs/dbraw/zinc/07/21/13/135072113.db2.gz AEMJGPJOZBTCDT-GHMZBOCLSA-N 1 0 262.378 2.253 10 0 CEAERO C[C@@H]1CCCN(C(=O)N2C[C@H]([NH3+])Cc3ccccc32)C1 ZINC000091991327 135074565 /nfs/dbraw/zinc/07/45/65/135074565.db2.gz UUGNNDDHXFARII-TZMCWYRMSA-N 1 0 273.380 2.228 10 0 CEAERO Nc1cc[nH+]c(CN2C(=O)COc3ccc(Cl)cc32)c1 ZINC000092419648 135076221 /nfs/dbraw/zinc/07/62/21/135076221.db2.gz GABLFUARFDTAQU-UHFFFAOYSA-N 1 0 289.722 2.243 10 0 CEAERO C[C@H]1[NH2+]CC[C@H]1CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000092957720 135077426 /nfs/dbraw/zinc/07/74/26/135077426.db2.gz LDDFOMIKJXNFFY-KGLIPLIRSA-N 1 0 293.842 2.460 10 0 CEAERO 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250.390 2.023 10 0 CEAERO Cc1ccc(OCCCC(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000646796373 396382082 /nfs/dbraw/zinc/38/20/82/396382082.db2.gz CZARKDTVBHHMHI-CQSZACIVSA-N 1 0 276.380 2.104 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)c1oc2c(cccc2F)c1C ZINC000647032930 396405523 /nfs/dbraw/zinc/40/55/23/396405523.db2.gz HHUZPUIQZHFIMG-MRVPVSSYSA-N 1 0 264.300 2.218 10 0 CEAERO Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])c1 ZINC000235352637 292086828 /nfs/dbraw/zinc/08/68/28/292086828.db2.gz LDNBXMLIPLKBKZ-TZMCWYRMSA-N 1 0 296.436 2.051 10 0 CEAERO CC[C@H](OC1CCCCC1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000154437451 289145100 /nfs/dbraw/zinc/14/51/00/289145100.db2.gz SPIMFFYHARKPGI-ZFWWWQNUSA-N 1 0 282.428 2.277 10 0 CEAERO [NH3+][C@@H]1CCN(Cc2cscc2Br)C1 ZINC000306365266 400332856 /nfs/dbraw/zinc/33/28/56/400332856.db2.gz ALUTYYHVLHGJHT-MRVPVSSYSA-N 1 0 261.188 2.044 10 0 CEAERO CN(CCOCC[NH3+])c1ncc(C(F)(F)F)cc1Cl ZINC000388533623 400533102 /nfs/dbraw/zinc/53/31/02/400533102.db2.gz LUXFGVITSNAZFK-UHFFFAOYSA-N 1 0 297.708 2.165 10 0 CEAERO Cc1cc(C(C)C)nc(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)n1 ZINC000388751245 400533600 /nfs/dbraw/zinc/53/36/00/400533600.db2.gz MPIPSNCKXKCMCY-AVGNSLFASA-N 1 0 260.385 2.082 10 0 CEAERO O[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@@H](N3CCCC3)C2)C1 ZINC000389109272 400536434 /nfs/dbraw/zinc/53/64/34/400536434.db2.gz PPMQLQPIGVKROB-BZUAXINKSA-N 1 0 266.429 2.098 10 0 CEAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)[C@@H]1CC2CCC1CC2 ZINC000394436334 400548956 /nfs/dbraw/zinc/54/89/56/400548956.db2.gz HVMIISNQFPRZFI-VLSVSDDBSA-N 1 0 266.429 2.121 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@H](C2CC2)C2CCCC2)C1 ZINC000651294943 401308985 /nfs/dbraw/zinc/30/89/85/401308985.db2.gz OWRUAPDRKOSENJ-CVEARBPZSA-N 1 0 266.429 2.266 10 0 CEAERO COc1cc2c(cc1F)CN(C[C@H]1CCC[NH2+]C1)CC2 ZINC000261943850 286255960 /nfs/dbraw/zinc/25/59/60/286255960.db2.gz NAHNBXFWHOXFCN-LBPRGKRZSA-N 1 0 278.371 2.192 10 0 CEAERO Cc1ccc([C@H](C)[NH2+]CC2(O)CCOCC2)c(C)c1 ZINC000162287096 292246554 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CC(C)(C)C[C@H](O)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000224658956 153321141 /nfs/dbraw/zinc/32/11/41/153321141.db2.gz JZUPERTWSFUWJO-RVMXOQNASA-N 1 0 255.402 2.187 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)N(C)C2CC2)C12CCOCC2 ZINC000249053340 286389963 /nfs/dbraw/zinc/38/99/63/286389963.db2.gz XBZRNAPVGPUXLF-CWRNSKLLSA-N 1 0 296.455 2.033 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(F)cn1 ZINC000248549640 153643343 /nfs/dbraw/zinc/64/33/43/153643343.db2.gz HMPLBLZOAJFCRV-OLZOCXBDSA-N 1 0 292.358 2.311 10 0 CEAERO Cc1ccc(F)cc1C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261563605 153761847 /nfs/dbraw/zinc/76/18/47/153761847.db2.gz AZQPYTJLGPPSBL-ZDUSSCGKSA-N 1 0 264.344 2.334 10 0 CEAERO CC1(C)CCC(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000261571389 153770331 /nfs/dbraw/zinc/77/03/31/153770331.db2.gz LAJBKZSSEWOOLL-QWHCGFSZSA-N 1 0 252.402 2.446 10 0 CEAERO O=C(CC[C@@H]1CCC[NH2+]1)Nc1ccc2n[nH]cc2c1 ZINC000261586734 153777395 /nfs/dbraw/zinc/77/73/95/153777395.db2.gz JALJMOWMOXJXKD-NSHDSACASA-N 1 0 258.325 2.034 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1CC(=O)N(Cc1ccccn1)C1CC1 ZINC000261646375 153799512 /nfs/dbraw/zinc/79/95/12/153799512.db2.gz JECULNDYUHWZEO-CJNGLKHVSA-N 1 0 287.407 2.480 10 0 CEAERO Cc1cc(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)c(C)n1C1CC1 ZINC000261806427 153845104 /nfs/dbraw/zinc/84/51/04/153845104.db2.gz MFQXUZVQXXSPBH-GXFFZTMASA-N 1 0 275.396 2.249 10 0 CEAERO C[C@@H]1CN(C(=O)c2cccc(OC(F)(F)F)c2)C[C@@H]1[NH3+] ZINC000261796357 153846833 /nfs/dbraw/zinc/84/68/33/153846833.db2.gz QXLWTVRXNPNQLN-KCJUWKMLSA-N 1 0 288.269 2.004 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)c1cc2ccc(F)cc2nc1C ZINC000261833452 153852344 /nfs/dbraw/zinc/85/23/44/153852344.db2.gz VOUYJQLGXMCPFV-SECBINFHSA-N 1 0 275.327 2.020 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CC[C@H](Nc2ccccc2)C1 ZINC000261866016 153862438 /nfs/dbraw/zinc/86/24/38/153862438.db2.gz XKCICOXHJWYKTE-VNQPRFMTSA-N 1 0 287.407 2.074 10 0 CEAERO COc1cc(CN2C[C@@H](C)[C@@H]([NH3+])C2)ccc1OC(C)C ZINC000262002476 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C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)CC[NH2+]1 ZINC000262972151 154003497 /nfs/dbraw/zinc/00/34/97/154003497.db2.gz XSJOCLSIBWJOAC-XEZLXBQYSA-N 1 0 294.345 2.325 10 0 CEAERO Cc1nc(CN(C)C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])cs1 ZINC000263003832 154004372 /nfs/dbraw/zinc/00/43/72/154004372.db2.gz OYNMLUGOHCBFNP-TZMCWYRMSA-N 1 0 281.425 2.318 10 0 CEAERO CCc1cc(-c2nc([C@@H]3C[NH2+]CCN3C)no2)sc1C ZINC000263213491 154035775 /nfs/dbraw/zinc/03/57/75/154035775.db2.gz KMNXESIBJDFGTO-NSHDSACASA-N 1 0 292.408 2.245 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC(Nc2cc[nH+]c(C)c2Cl)C1 ZINC000263565313 154131913 /nfs/dbraw/zinc/13/19/13/154131913.db2.gz VOFXPRSMUGMSLL-UHFFFAOYSA-N 1 0 297.786 2.393 10 0 CEAERO CCOc1ccc(CN(C)C(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089455148 286562675 /nfs/dbraw/zinc/56/26/75/286562675.db2.gz LXULDJHHDHOZOJ-GDBMZVCRSA-N 1 0 290.407 2.419 10 0 CEAERO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1CC1=CCCOC1 ZINC000375850770 157151817 /nfs/dbraw/zinc/15/18/17/157151817.db2.gz SOVGTBCGNKGXBQ-HOTGVXAUSA-N 1 0 264.413 2.282 10 0 CEAERO COCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400478435 292363595 /nfs/dbraw/zinc/36/35/95/292363595.db2.gz VPTSWONLJAQWQY-OLZOCXBDSA-N 1 0 286.416 2.258 10 0 CEAERO CCS(=O)(=O)c1ccccc1N[C@H]1CCCC[C@H]1[NH3+] ZINC000038050917 286696833 /nfs/dbraw/zinc/69/68/33/286696833.db2.gz STWFFJAFHWHABR-NEPJUHHUSA-N 1 0 282.409 2.162 10 0 CEAERO CCn1nc(C[N@@H+]2CC[C@@H](CCO)C2)c2ccccc21 ZINC000157560935 162310238 /nfs/dbraw/zinc/31/02/38/162310238.db2.gz RTOLWJQTMLGVIM-ZDUSSCGKSA-N 1 0 273.380 2.261 10 0 CEAERO CCCn1ccc(C[NH2+]Cc2cn(C)nc2CC)c1 ZINC000168665589 162369254 /nfs/dbraw/zinc/36/92/54/162369254.db2.gz QYKBTTJRFUELMH-UHFFFAOYSA-N 1 0 260.385 2.484 10 0 CEAERO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(Cl)c(F)c1 ZINC000261541641 162545384 /nfs/dbraw/zinc/54/53/84/162545384.db2.gz LGSHSSGAHHTICO-VIFPVBQESA-N 1 0 256.708 2.042 10 0 CEAERO CC1(C)CN(C(=O)Cc2ccc(F)cc2F)CC[C@H]1[NH3+] ZINC000261623217 162549929 /nfs/dbraw/zinc/54/99/29/162549929.db2.gz AHAXXTXJFQNJHK-CYBMUJFWSA-N 1 0 282.334 2.093 10 0 CEAERO CSCCC[N@@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000173693127 165080426 /nfs/dbraw/zinc/08/04/26/165080426.db2.gz FRJUAOFDXNMVAW-AWEZNQCLSA-N 1 0 282.457 2.360 10 0 CEAERO O=C(CCC1CCC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000176237891 165158446 /nfs/dbraw/zinc/15/84/46/165158446.db2.gz NTAHDUNXEZURPR-CQSZACIVSA-N 1 0 250.386 2.263 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Cc1c(C)noc1Cl ZINC000177032477 165185681 /nfs/dbraw/zinc/18/56/81/165185681.db2.gz AMRPWCUYXOTYGC-LLVKDONJSA-N 1 0 299.802 2.122 10 0 CEAERO CCC[C@@H](C)CC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000177442128 165198525 /nfs/dbraw/zinc/19/85/25/165198525.db2.gz WSPMXJPLUJRDES-CABCVRRESA-N 1 0 298.471 2.364 10 0 CEAERO CCc1noc([C@H](C)N(C)C[C@@H]2CCC[N@H+]2CC)n1 ZINC000177710872 165207722 /nfs/dbraw/zinc/20/77/22/165207722.db2.gz WOEKWPSFNSQNGS-RYUDHWBXSA-N 1 0 266.389 2.109 10 0 CEAERO Cc1cnn([C@H]2CCCN(C(=O)[C@@H]([NH3+])c3ccccc3)C2)c1 ZINC000178783657 165261148 /nfs/dbraw/zinc/26/11/48/165261148.db2.gz PVVOZYUJSFCSDX-HOTGVXAUSA-N 1 0 298.390 2.055 10 0 CEAERO Cn1cc([C@@H]2CC[N@H+](Cc3cccc4nccn43)C2)cn1 ZINC000180330946 165304536 /nfs/dbraw/zinc/30/45/36/165304536.db2.gz AAHDIXNFMCFVOO-CYBMUJFWSA-N 1 0 281.363 2.057 10 0 CEAERO COc1cc([C@@H](C)[NH2+][C@@H]2CCc3ncnn3C2)ccc1F ZINC000180585363 165313083 /nfs/dbraw/zinc/31/30/83/165313083.db2.gz UULARGGWKLBEBI-ZYHUDNBSSA-N 1 0 290.342 2.091 10 0 CEAERO COc1cc([C@@H](C)[NH2+][C@H]2CCc3ncnn3C2)ccc1F ZINC000180585405 165317169 /nfs/dbraw/zinc/31/71/69/165317169.db2.gz UULARGGWKLBEBI-PWSUYJOCSA-N 1 0 290.342 2.091 10 0 CEAERO COCCC[C@H](C)[NH2+][C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000180647175 165317641 /nfs/dbraw/zinc/31/76/41/165317641.db2.gz LCIUFFSRBGUUMA-QWHCGFSZSA-N 1 0 280.416 2.121 10 0 CEAERO CNC(=O)[C@H]([NH2+]CCCc1cccc(C)c1)C(C)C ZINC000181229789 165336623 /nfs/dbraw/zinc/33/66/23/165336623.db2.gz YQUFFKICZCGOFO-OAHLLOKOSA-N 1 0 262.397 2.288 10 0 CEAERO CO[C@H](C)C[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000182147704 165365448 /nfs/dbraw/zinc/36/54/48/165365448.db2.gz PAWUQLSOVDGCIP-ZWNOBZJWSA-N 1 0 251.374 2.209 10 0 CEAERO CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCC[N@H+]3C ZINC000005114591 170067074 /nfs/dbraw/zinc/06/70/74/170067074.db2.gz JCINWKNLTDEYIA-OGHNNQOOSA-N 1 0 270.376 2.434 10 0 CEAERO CNC(=O)[C@@H](C)[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000008244521 170326843 /nfs/dbraw/zinc/32/68/43/170326843.db2.gz KSNKDLJXFBSTAN-YIZLIVJESA-N 1 0 264.413 2.315 10 0 CEAERO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000008699286 170346420 /nfs/dbraw/zinc/34/64/20/170346420.db2.gz JWSXJOXJOYGGGZ-BDAKNGLRSA-N 1 0 274.147 2.469 10 0 CEAERO CCN(c1ccccc1C)[C@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000019387710 170779769 /nfs/dbraw/zinc/77/97/69/170779769.db2.gz SLGGMJJXUSKGTC-HOCLYGCPSA-N 1 0 290.407 2.444 10 0 CEAERO C[C@]1(Cc2ccc(Br)cc2)OC[C@H](C[NH3+])O1 ZINC000019729979 170846266 /nfs/dbraw/zinc/84/62/66/170846266.db2.gz CNDDYTCIBHWVEE-RYUDHWBXSA-N 1 0 286.169 2.082 10 0 CEAERO C[C@@H]([NH3+])c1ccc(-n2nnc(-c3ccccc3)n2)cc1 ZINC000019872802 170902824 /nfs/dbraw/zinc/90/28/24/170902824.db2.gz XFWDUPOTYIVNQZ-LLVKDONJSA-N 1 0 265.320 2.349 10 0 CEAERO CN(C)C[C@H]([NH2+][C@H]1CCSC1)c1ccccc1 ZINC000020129271 171016939 /nfs/dbraw/zinc/01/69/39/171016939.db2.gz KFJIFFBHIWODRB-KBPBESRZSA-N 1 0 250.411 2.384 10 0 CEAERO CSCCC[NH2+]C[C@@H](CC(C)C)N1CCOCC1 ZINC000020144434 171029896 /nfs/dbraw/zinc/02/98/96/171029896.db2.gz RUARYJVHNGNNLO-CQSZACIVSA-N 1 0 274.474 2.076 10 0 CEAERO [NH3+]C[C@H](c1ccc(Cl)cc1)N1CCC(CO)CC1 ZINC000020179068 171043960 /nfs/dbraw/zinc/04/39/60/171043960.db2.gz KLJQZUKPFXTBKA-CQSZACIVSA-N 1 0 268.788 2.044 10 0 CEAERO [NH3+]CCOCCOc1cc(Cl)cc(Cl)c1 ZINC000020221466 171083270 /nfs/dbraw/zinc/08/32/70/171083270.db2.gz KRZFSUMLXIOSHM-UHFFFAOYSA-N 1 0 250.125 2.348 10 0 CEAERO [NH3+]CCOc1ccc(NC(=O)Cc2cccs2)cc1 ZINC000020224551 171087344 /nfs/dbraw/zinc/08/73/44/171087344.db2.gz SQFDQFSDFMBYCP-UHFFFAOYSA-N 1 0 276.361 2.267 10 0 CEAERO C[N@H+](CCC(N)=S)Cc1cccc2cccnc21 ZINC000020246561 171099983 /nfs/dbraw/zinc/09/99/83/171099983.db2.gz KTACNGHAUGQVNA-UHFFFAOYSA-N 1 0 259.378 2.343 10 0 CEAERO COc1ccc([C@@H]([NH3+])CN2CCCCC2)cc1F ZINC000020260315 171116975 /nfs/dbraw/zinc/11/69/75/171116975.db2.gz NFJMQGCLRRFYQC-ZDUSSCGKSA-N 1 0 252.333 2.320 10 0 CEAERO CN(Cc1cccc(F)c1)[C@@]1(C[NH3+])CCSC1 ZINC000020266474 171122456 /nfs/dbraw/zinc/12/24/56/171122456.db2.gz MXZNOCQIFHHDNR-CYBMUJFWSA-N 1 0 254.374 2.092 10 0 CEAERO [NH3+][C@@H](c1nc2cc3c(cc2[nH]1)OCCO3)c1ccccc1 ZINC000020374859 171170631 /nfs/dbraw/zinc/17/06/31/171170631.db2.gz QQVNQUTUSQREMF-OAHLLOKOSA-N 1 0 281.315 2.382 10 0 CEAERO CC(C)CNC(=O)[C@H](C)Oc1ccc([C@H](C)[NH3+])cc1 ZINC000020419338 171183857 /nfs/dbraw/zinc/18/38/57/171183857.db2.gz YCTUVNLTCYMOEB-RYUDHWBXSA-N 1 0 264.369 2.246 10 0 CEAERO CC(C)CNC(=O)[C@H](C)Oc1ccccc1[C@H](C)[NH3+] ZINC000020419499 171184750 /nfs/dbraw/zinc/18/47/50/171184750.db2.gz LLSKFRVYXHQLOK-RYUDHWBXSA-N 1 0 264.369 2.246 10 0 CEAERO CC(C)CCCO[C@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000020511628 171230811 /nfs/dbraw/zinc/23/08/11/171230811.db2.gz CJKZKSJWFFFAMG-STQMWFEESA-N 1 0 257.374 2.062 10 0 CEAERO CCC(CC)[C@@H](C[NH2+]Cc1cccn1C)N(C)C ZINC000020520790 171234019 /nfs/dbraw/zinc/23/40/19/171234019.db2.gz KPVMHYCYCZMZHY-OAHLLOKOSA-N 1 0 251.418 2.481 10 0 CEAERO CCCCC[C@H](C[NH3+])N1CCN(c2nccs2)CC1 ZINC000020520675 171234028 /nfs/dbraw/zinc/23/40/28/171234028.db2.gz RQSGEFNXYABAGW-CYBMUJFWSA-N 1 0 282.457 2.173 10 0 CEAERO CC(C)[C@H](C)NS(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000020523647 171235941 /nfs/dbraw/zinc/23/59/41/171235941.db2.gz UCQGWNPZTJBBQU-MNOVXSKESA-N 1 0 270.398 2.029 10 0 CEAERO CCCCNC(=O)N1CC[NH+](CCC(C)C)CC1 ZINC000020541445 171242012 /nfs/dbraw/zinc/24/20/12/171242012.db2.gz WZZWKTVBPHHGOP-UHFFFAOYSA-N 1 0 255.406 2.160 10 0 CEAERO C[C@@H]1Cc2ccccc2N1C(=O)C[C@@H]1CCCC[NH2+]1 ZINC000020597195 171266001 /nfs/dbraw/zinc/26/60/01/171266001.db2.gz YQWMEXWYBZPBIP-OCCSQVGLSA-N 1 0 258.365 2.496 10 0 CEAERO CCC[NH2+]Cc1ccccc1OCC(=O)NC(C)(C)C ZINC000020872408 171277228 /nfs/dbraw/zinc/27/72/28/171277228.db2.gz UDVXDYXRONOMLZ-UHFFFAOYSA-N 1 0 278.396 2.480 10 0 CEAERO CCOc1ccc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000021167802 171298995 /nfs/dbraw/zinc/29/89/95/171298995.db2.gz IAIAIVAPSUTRNW-AWEZNQCLSA-N 1 0 289.379 2.397 10 0 CEAERO Nc1cccc(NC(=O)CC[NH+]2CCCCCC2)c1 ZINC000022151981 171359301 /nfs/dbraw/zinc/35/93/01/171359301.db2.gz JYIXOXCVFBPQQL-UHFFFAOYSA-N 1 0 261.369 2.473 10 0 CEAERO Cc1cc(N)ccc1NC(=O)CCC[NH+]1CCCC1 ZINC000022154924 171361846 /nfs/dbraw/zinc/36/18/46/171361846.db2.gz YWHYFUXOZLXGQI-UHFFFAOYSA-N 1 0 261.369 2.392 10 0 CEAERO C[C@@H](C(=O)Nc1ccccc1N)[N@@H+]1CCCC[C@@H]1C ZINC000022156341 171362428 /nfs/dbraw/zinc/36/24/28/171362428.db2.gz DFKABMHBJNJRBK-RYUDHWBXSA-N 1 0 261.369 2.470 10 0 CEAERO C[C@H]1C[C@H](C)C[NH+](CC(=O)Nc2ccccc2N)C1 ZINC000022170767 171367560 /nfs/dbraw/zinc/36/75/60/171367560.db2.gz GBCMHLGXXXFWQC-RYUDHWBXSA-N 1 0 261.369 2.185 10 0 CEAERO CC[C@H]([NH3+])c1ccc(OCC(=O)N(CC)CC)cc1 ZINC000022175013 171369887 /nfs/dbraw/zinc/36/98/87/171369887.db2.gz ROQIOVOMKYNAJI-AWEZNQCLSA-N 1 0 264.369 2.344 10 0 CEAERO [NH3+]C[C@H](c1cccnc1)N1CCc2sccc2C1 ZINC000022210397 171372798 /nfs/dbraw/zinc/37/27/98/171372798.db2.gz HLNJZAZDPULUKQ-CYBMUJFWSA-N 1 0 259.378 2.201 10 0 CEAERO Cc1nccn1CCCC(=O)Nc1ccccc1C[NH3+] ZINC000022219505 171377085 /nfs/dbraw/zinc/37/70/85/171377085.db2.gz XLJNJAVEXKQOLK-UHFFFAOYSA-N 1 0 272.352 2.069 10 0 CEAERO [NH3+]C[C@@H](O)COc1ccc2cc(Br)ccc2c1 ZINC000022222773 171379296 /nfs/dbraw/zinc/37/92/96/171379296.db2.gz KETLPGFANYBKDA-GFCCVEGCSA-N 1 0 296.164 2.301 10 0 CEAERO [NH3+][C@H](CN1CCc2ccccc21)c1ccc2c(c1)OCO2 ZINC000022563707 171391111 /nfs/dbraw/zinc/39/11/11/171391111.db2.gz JWYUIKAOCQSYMY-CQSZACIVSA-N 1 0 282.343 2.478 10 0 CEAERO CC(C)[NH2+]C[C@H](O)COC(=O)c1cccc2ccccc21 ZINC000025969235 171468541 /nfs/dbraw/zinc/46/85/41/171468541.db2.gz ZZSBGFQPTJBSCP-AWEZNQCLSA-N 1 0 287.359 2.356 10 0 CEAERO CC[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000032113337 171707127 /nfs/dbraw/zinc/70/71/27/171707127.db2.gz AVQDJIFOHRMMRO-MRVPVSSYSA-N 1 0 264.152 2.343 10 0 CEAERO CC[NH2+]C[C@@H](O)COc1ccc(C(C)C)c(C)c1 ZINC000034978655 171911772 /nfs/dbraw/zinc/91/17/72/171911772.db2.gz QMKKFNJXHHUOPQ-CYBMUJFWSA-N 1 0 251.370 2.468 10 0 CEAERO C[C@@H]1C[C@H]1[C@H]([NH3+])c1cc2c(cc1Cl)NC(=O)C2 ZINC000035359482 172150216 /nfs/dbraw/zinc/15/02/16/172150216.db2.gz XHDSCXFPTXMIBQ-UXJWMTKNSA-N 1 0 250.729 2.490 10 0 CEAERO CC(C)[NH2+]Cc1c(-n2ccnc2)nc2sccn12 ZINC000035430374 172199307 /nfs/dbraw/zinc/19/93/07/172199307.db2.gz BKNRUXNBMGPGNJ-UHFFFAOYSA-N 1 0 261.354 2.080 10 0 CEAERO C[NH2+][C@H](c1ccoc1C)c1ccc2c(c1)CC(=O)N2 ZINC000035495570 172228837 /nfs/dbraw/zinc/22/88/37/172228837.db2.gz MVNIYQPKLNCSIQ-HNNXBMFYSA-N 1 0 256.305 2.391 10 0 CEAERO C[NH2+][C@H](c1ccccc1)c1ccc2[nH]c(=O)oc2c1 ZINC000035500621 172234646 /nfs/dbraw/zinc/23/46/46/172234646.db2.gz USQXCUJKHXRIPX-CQSZACIVSA-N 1 0 254.289 2.430 10 0 CEAERO CC[NH2+][C@@H](c1cnn(C)c1)c1cc(F)cc(F)c1 ZINC000035555841 172261796 /nfs/dbraw/zinc/26/17/96/172261796.db2.gz YEBMZZSXHLRBMP-CYBMUJFWSA-N 1 0 251.280 2.397 10 0 CEAERO CCC[NH2+][C@H](C)c1ccccc1NS(C)(=O)=O ZINC000035645191 172322023 /nfs/dbraw/zinc/32/20/23/172322023.db2.gz NWIHTZGFXVJDEP-SNVBAGLBSA-N 1 0 256.371 2.119 10 0 CEAERO [NH3+][C@@H]1CC(=O)N(CCc2ccc(Cl)cc2Cl)C1 ZINC000035679806 172350452 /nfs/dbraw/zinc/35/04/52/172350452.db2.gz YZWXYNBPWFIHFS-SNVBAGLBSA-N 1 0 273.163 2.096 10 0 CEAERO C[C@H](NC(=O)Cc1ccc(F)cc1)[C@H]1CCCC[NH2+]1 ZINC000035690809 172359538 /nfs/dbraw/zinc/35/95/38/172359538.db2.gz SNGWRJYYBJPEJZ-SMDDNHRTSA-N 1 0 264.344 2.015 10 0 CEAERO CCC1(CC)CC(=O)N([C@H](C)[C@H]2CCCC[NH2+]2)C1=O ZINC000035691801 172359914 /nfs/dbraw/zinc/35/99/14/172359914.db2.gz VBQIBTLCTUMZDX-VXGBXAGGSA-N 1 0 266.385 2.082 10 0 CEAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccncc1 ZINC000035693331 172362365 /nfs/dbraw/zinc/36/23/65/172362365.db2.gz QNUYFROPYZXMOP-VXGBXAGGSA-N 1 0 263.385 2.426 10 0 CEAERO CN(Cc1ccco1)C(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000035702101 172369002 /nfs/dbraw/zinc/36/90/02/172369002.db2.gz RHKZJAAYIJHAQR-FPMFFAJLSA-N 1 0 262.353 2.159 10 0 CEAERO [NH3+]Cc1cc(C(F)(F)F)ccc1Sc1nc[nH]n1 ZINC000035720033 172374999 /nfs/dbraw/zinc/37/49/99/172374999.db2.gz AFRCECRKYIMZEZ-UHFFFAOYSA-N 1 0 274.271 2.433 10 0 CEAERO CC[C@H](CC[NH3+])Sc1nnc2n1CCCCC2 ZINC000035723909 172379407 /nfs/dbraw/zinc/37/94/07/172379407.db2.gz ZHHQUDDRRDJNJJ-SNVBAGLBSA-N 1 0 254.403 2.224 10 0 CEAERO O[C@@H](c1ccc(Br)s1)[C@@H]1CCC[NH2+]1 ZINC000036173439 172493384 /nfs/dbraw/zinc/49/33/84/172493384.db2.gz UCRMLJGIDZLTCE-IMTBSYHQSA-N 1 0 262.172 2.296 10 0 CEAERO COc1ccc([C@@H](O)[C@H]2CCC[NH2+]2)cc1Br ZINC000036176958 172496303 /nfs/dbraw/zinc/49/63/03/172496303.db2.gz CYPIOGRNLFNASU-ZYHUDNBSSA-N 1 0 286.169 2.243 10 0 CEAERO CCOC(=O)N(CCC[NH3+])c1cccc(OC)c1 ZINC000036730694 172662271 /nfs/dbraw/zinc/66/22/71/172662271.db2.gz FLYSBFQXPMZFMC-UHFFFAOYSA-N 1 0 252.314 2.007 10 0 CEAERO CCN(CCC[NH3+])C(=O)c1ccc2ccccc2n1 ZINC000036731108 172662287 /nfs/dbraw/zinc/66/22/87/172662287.db2.gz ANYZJTUKFFJHCH-UHFFFAOYSA-N 1 0 257.337 2.046 10 0 CEAERO CCCCN(CC)S(=O)(=O)c1ccc(C[NH3+])s1 ZINC000036929429 172810483 /nfs/dbraw/zinc/81/04/83/172810483.db2.gz NEXBXDNYIKKFKV-UHFFFAOYSA-N 1 0 276.427 2.018 10 0 CEAERO CC[NH2+]C[C@@H](O)CSc1nc2ccccc2s1 ZINC000036951273 172824700 /nfs/dbraw/zinc/82/47/00/172824700.db2.gz LQPDINCOOWAJJF-SECBINFHSA-N 1 0 268.407 2.359 10 0 CEAERO CCN(C)[C@H](C[NH3+])c1cc(Br)ccc1OC ZINC000037078459 172936264 /nfs/dbraw/zinc/93/62/64/172936264.db2.gz RLTNZUNZDTZQLL-LLVKDONJSA-N 1 0 287.201 2.409 10 0 CEAERO CC(C)C[N@H+](C)CC(=O)Nc1ccc(N)cc1Cl ZINC000037099031 172954028 /nfs/dbraw/zinc/95/40/28/172954028.db2.gz QBINHXBJLLDDMD-UHFFFAOYSA-N 1 0 269.776 2.449 10 0 CEAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CCCc2c1cnn2C ZINC000037167330 173001487 /nfs/dbraw/zinc/00/14/87/173001487.db2.gz ZJDUAKFNNYBPGC-UKRRQHHQSA-N 1 0 278.444 2.363 10 0 CEAERO CC(C)=CCN1CCC([NH2+]C[C@H]2CCCO2)CC1 ZINC000037215262 173035086 /nfs/dbraw/zinc/03/50/86/173035086.db2.gz KOKYLMHKABOYRT-OAHLLOKOSA-N 1 0 252.402 2.186 10 0 CEAERO CC(C)[C@@H](C)[NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000037249520 173062455 /nfs/dbraw/zinc/06/24/55/173062455.db2.gz XBMHDJUEJUNGPI-MNOVXSKESA-N 1 0 270.398 2.029 10 0 CEAERO C[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(C[NH3+])s2)C1 ZINC000037257130 173067928 /nfs/dbraw/zinc/06/79/28/173067928.db2.gz XRJSVDQZWNIIIV-NXEZZACHSA-N 1 0 288.438 2.064 10 0 CEAERO C[C@H](CO)[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000037258743 173069486 /nfs/dbraw/zinc/06/94/86/173069486.db2.gz NFLRNKHZPHHOET-KCJUWKMLSA-N 1 0 286.169 2.243 10 0 CEAERO CC[C@@H]([NH2+][C@H](C)C(N)=O)c1cccc(Br)c1 ZINC000037261421 173070874 /nfs/dbraw/zinc/07/08/74/173070874.db2.gz RMFQZYFQZZTOHW-LDYMZIIASA-N 1 0 285.185 2.364 10 0 CEAERO CC(C)NC(=O)C[NH2+][C@H]1CSCc2ccccc21 ZINC000037262857 173072330 /nfs/dbraw/zinc/07/23/30/173072330.db2.gz PPZICLWCFCZSGK-ZDUSSCGKSA-N 1 0 264.394 2.089 10 0 CEAERO CC[N@H+](Cc1ccccc1)Cc1ccc(C(N)=O)cc1N ZINC000037273097 173084530 /nfs/dbraw/zinc/08/45/30/173084530.db2.gz CSQKJHDDMJGUQA-UHFFFAOYSA-N 1 0 283.375 2.390 10 0 CEAERO CC(C)=CCN1CCC([NH2+][C@H]2CCC[C@H](O)C2)CC1 ZINC000037321293 173121897 /nfs/dbraw/zinc/12/18/97/173121897.db2.gz BPZAUSMCWRWQQH-HOTGVXAUSA-N 1 0 266.429 2.310 10 0 CEAERO CCCn1c2ccccc2nc1[C@H]1C[C@H](OC)C[NH2+]1 ZINC000037323593 173124058 /nfs/dbraw/zinc/12/40/58/173124058.db2.gz PNBRCDTVTTVGHH-WCQYABFASA-N 1 0 259.353 2.496 10 0 CEAERO C[C@@H](NS(=O)(=O)c1ccc(C[NH3+])s1)c1ccccc1 ZINC000037337949 173139336 /nfs/dbraw/zinc/13/93/36/173139336.db2.gz HBOJQKPVHRQXNZ-SNVBAGLBSA-N 1 0 296.417 2.246 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000037386489 173169663 /nfs/dbraw/zinc/16/96/63/173169663.db2.gz ALXLTMWEWCCOHS-SNVBAGLBSA-N 1 0 296.367 2.039 10 0 CEAERO C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)C[NH2+]C1CCCC1 ZINC000037387053 173170806 /nfs/dbraw/zinc/17/08/06/173170806.db2.gz SOJDYRSXQFDSSY-SCRDCRAPSA-N 1 0 252.402 2.460 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000037388681 173172365 /nfs/dbraw/zinc/17/23/65/173172365.db2.gz YUHQRZCRZPYETO-YVWFZZAJSA-N 1 0 264.413 2.315 10 0 CEAERO COC(=O)CCC[NH2+]Cc1cccc(Br)c1 ZINC000037395191 173175517 /nfs/dbraw/zinc/17/55/17/173175517.db2.gz WCZSEMHHMHUWNL-UHFFFAOYSA-N 1 0 286.169 2.492 10 0 CEAERO C[C@H](O)[C@H]([NH3+])c1nc2cccc(Cl)c2n1C1CC1 ZINC000037444414 173211966 /nfs/dbraw/zinc/21/19/66/173211966.db2.gz GSTBNGNUIPKHAT-CPCISQLKSA-N 1 0 265.744 2.405 10 0 CEAERO CC(C)[NH2+]CCC(=O)Nc1ccc(Br)cn1 ZINC000037480129 173228901 /nfs/dbraw/zinc/22/89/01/173228901.db2.gz MFUAOUQZRXNTGS-UHFFFAOYSA-N 1 0 286.173 2.171 10 0 CEAERO CCN(Cc1ccc(OC)c(F)c1)C(=O)C[NH2+]C(C)C ZINC000037495754 173234760 /nfs/dbraw/zinc/23/47/60/173234760.db2.gz PDHHIKLAQUCMCD-UHFFFAOYSA-N 1 0 282.359 2.181 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)N[C@@H](C)c1ccccc1F ZINC000037495663 173235157 /nfs/dbraw/zinc/23/51/57/173235157.db2.gz VROMWNJEWMDUQP-MNOVXSKESA-N 1 0 252.333 2.391 10 0 CEAERO CC[C@H]([NH3+])Cc1ccccc1OCc1cnn(C)c1 ZINC000037724738 173643392 /nfs/dbraw/zinc/64/33/92/173643392.db2.gz FVGCEQPWBJMZKE-AWEZNQCLSA-N 1 0 259.353 2.279 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccccc1OCc1nc(C)no1 ZINC000037724723 173643503 /nfs/dbraw/zinc/64/35/03/173643503.db2.gz GRLGBJSZAPBPSH-GFCCVEGCSA-N 1 0 261.325 2.237 10 0 CEAERO COc1cc(C[C@@H](C)[NH3+])cc(OC)c1OC(C)C ZINC000037728716 173648193 /nfs/dbraw/zinc/64/81/93/173648193.db2.gz LRKLVSFMEFFZJV-SNVBAGLBSA-N 1 0 253.342 2.381 10 0 CEAERO CCCC[C@H]([NH3+])C(=O)Nc1ccc(C)cc1OC ZINC000037769431 173700740 /nfs/dbraw/zinc/70/07/40/173700740.db2.gz ASTATUOCHPKANW-NSHDSACASA-N 1 0 250.342 2.460 10 0 CEAERO CC(C)CC[NH2+]C[C@H](O)c1ccc2c(c1)OCO2 ZINC000037877211 173819604 /nfs/dbraw/zinc/81/96/04/173819604.db2.gz HUZXHILRKJIXRJ-LBPRGKRZSA-N 1 0 251.326 2.084 10 0 CEAERO CCOCCC[NH2+]C[C@H](O)c1cc(F)ccc1F ZINC000037881829 173821589 /nfs/dbraw/zinc/82/15/89/173821589.db2.gz PBJVYFBCBUICJZ-ZDUSSCGKSA-N 1 0 259.296 2.014 10 0 CEAERO C[C@]([NH2+]C1CCCCCC1)(C(N)=O)c1ccccn1 ZINC000037972301 173924961 /nfs/dbraw/zinc/92/49/61/173924961.db2.gz YGOQQAQLTJGMIR-OAHLLOKOSA-N 1 0 261.369 2.095 10 0 CEAERO C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC[C@@H]1CC(=O)[O-] ZINC000038028116 174016720 /nfs/dbraw/zinc/01/67/20/174016720.db2.gz GTIWEYMQEKGTRU-UONOGXRCSA-N 1 0 268.401 2.190 10 0 CEAERO CCC(CC)NC(=O)[C@@H](C)N(CC[NH3+])Cc1ccccc1 ZINC000038033202 174030554 /nfs/dbraw/zinc/03/05/54/174030554.db2.gz OYDFZXSICXAGHJ-CQSZACIVSA-N 1 0 291.439 2.141 10 0 CEAERO CCn1c2ccccc2nc1CNC[C@H]1CC[N@H+](C)C1 ZINC000038046860 174056251 /nfs/dbraw/zinc/05/62/51/174056251.db2.gz HPLMXUWLJDSIOP-CYBMUJFWSA-N 1 0 272.396 2.098 10 0 CEAERO CCn1cc(Cl)cc1C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000038048526 174059476 /nfs/dbraw/zinc/05/94/76/174059476.db2.gz OOYNYMWKBLVKAV-GHMZBOCLSA-N 1 0 269.776 2.161 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)/C=C/c1cccs1 ZINC000038049533 174060470 /nfs/dbraw/zinc/06/04/70/174060470.db2.gz ITLDCKRHZBGADT-LASXONHFSA-N 1 0 250.367 2.147 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)COc1ccc(Cl)cc1 ZINC000038049728 174061125 /nfs/dbraw/zinc/06/11/25/174061125.db2.gz RPDIDKSCNIEKCX-QWHCGFSZSA-N 1 0 282.771 2.105 10 0 CEAERO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2COCCO2)c(C)n1 ZINC000038061084 174072411 /nfs/dbraw/zinc/07/24/11/174072411.db2.gz OWLARFVRFOUMKJ-TZMCWYRMSA-N 1 0 264.369 2.073 10 0 CEAERO CC[C@H](C)[NH2+][C@H](C(N)=O)c1ccc(SC)cc1 ZINC000038064831 174075078 /nfs/dbraw/zinc/07/50/78/174075078.db2.gz LUBFCEQDPUQYNG-CABZTGNLSA-N 1 0 252.383 2.323 10 0 CEAERO CC[NH2+][C@H](CCCS(C)(=O)=O)c1ccccc1 ZINC000038085304 174095795 /nfs/dbraw/zinc/09/57/95/174095795.db2.gz HXJNFPUZCXJITC-CYBMUJFWSA-N 1 0 255.383 2.162 10 0 CEAERO O[C@@H](C[NH2+]CC[C@@H]1CCCO1)c1cc(F)ccc1F ZINC000038096792 174110876 /nfs/dbraw/zinc/11/08/76/174110876.db2.gz ZQWRQPWAHYXZLV-FZMZJTMJSA-N 1 0 271.307 2.157 10 0 CEAERO CCC[C@@H]1CN(Cc2ccc(C(=O)OC)cc2)CC[NH2+]1 ZINC000039952529 174177204 /nfs/dbraw/zinc/17/72/04/174177204.db2.gz GMLHOCRLQJLHGB-OAHLLOKOSA-N 1 0 276.380 2.047 10 0 CEAERO CCOCCn1c(C[NH2+]C)nc2cc(Cl)ccc21 ZINC000040405268 174254268 /nfs/dbraw/zinc/25/42/68/174254268.db2.gz WFQJQZKLOSLWCE-UHFFFAOYSA-N 1 0 267.760 2.446 10 0 CEAERO CSCC[C@H]([NH3+])C(=O)N1CCC[C@@H]1c1cccs1 ZINC000040464461 174274221 /nfs/dbraw/zinc/27/42/21/174274221.db2.gz HKMKHWDSBLOIEF-WDEREUQCSA-N 1 0 284.450 2.492 10 0 CEAERO CCC1CCC(N(C)C(=O)[C@@H]([NH3+])CCSC)CC1 ZINC000040469044 174277502 /nfs/dbraw/zinc/27/75/02/174277502.db2.gz JNBLOMOXQRYBND-BPCQOVAHSA-N 1 0 272.458 2.494 10 0 CEAERO CC[C@@H](C)NC(=O)C[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000040491151 174292351 /nfs/dbraw/zinc/29/23/51/174292351.db2.gz AVFFMPPZIVWXLN-VXGBXAGGSA-N 1 0 294.395 2.269 10 0 CEAERO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC2CC2)cc1OC ZINC000040491139 174292533 /nfs/dbraw/zinc/29/25/33/174292533.db2.gz JSPHCQIOYAQYIL-WDEREUQCSA-N 1 0 292.379 2.022 10 0 CEAERO CC[NH2+]Cc1ccc(S(=O)(=O)NCC(C)(C)C)cc1 ZINC000040495066 174293675 /nfs/dbraw/zinc/29/36/75/174293675.db2.gz UAOYKJFYAWSQMH-UHFFFAOYSA-N 1 0 284.425 2.121 10 0 CEAERO CCCCCNC(=O)[C@H](C)[NH2+]CCOCCCC ZINC000040507333 174303148 /nfs/dbraw/zinc/30/31/48/174303148.db2.gz APDDISKWVJGXOK-ZDUSSCGKSA-N 1 0 258.406 2.088 10 0 CEAERO Cc1nc(C)c([C@@H](C)NC(=O)[C@@H]([NH3+])C(C)(C)C)s1 ZINC000040519002 174308753 /nfs/dbraw/zinc/30/87/53/174308753.db2.gz SBCDHUPECFROME-LDYMZIIASA-N 1 0 269.414 2.311 10 0 CEAERO C[NH2+]C[C@H]1CCCN(C(=O)c2cc(Cl)ccc2O)C1 ZINC000040594993 174348411 /nfs/dbraw/zinc/34/84/11/174348411.db2.gz OHFMIZPLCRNOGR-SNVBAGLBSA-N 1 0 282.771 2.117 10 0 CEAERO CC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCCC1 ZINC000040614363 174353412 /nfs/dbraw/zinc/35/34/12/174353412.db2.gz ZEZWMKUOUGURIK-ZDUSSCGKSA-N 1 0 250.342 2.333 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000040630214 174358021 /nfs/dbraw/zinc/35/80/21/174358021.db2.gz PCJBEQJGCICIBL-GHMZBOCLSA-N 1 0 289.162 2.309 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](c2nc(-c3cccc(F)c3)c[nH]2)C1 ZINC000040637742 174361902 /nfs/dbraw/zinc/36/19/02/174361902.db2.gz VGJQQVWRFLABDW-RYUDHWBXSA-N 1 0 261.300 2.265 10 0 CEAERO COc1ccc(-c2c[nH]c([C@H]3C[C@H](OC)C[NH2+]3)n2)cc1F ZINC000040637804 174361998 /nfs/dbraw/zinc/36/19/98/174361998.db2.gz KNSXOPRMGXUHFE-CMPLNLGQSA-N 1 0 291.326 2.274 10 0 CEAERO CO[C@H]1C[NH2+][C@H](c2nc(-c3cc(C)oc3C)c[nH]2)C1 ZINC000040637753 174362146 /nfs/dbraw/zinc/36/21/46/174362146.db2.gz OSLFCXGPCYYEFM-PWSUYJOCSA-N 1 0 261.325 2.336 10 0 CEAERO C[C@@H]([NH2+]CCc1nccn1C)c1ccc2c(c1)OCO2 ZINC000040638729 174362982 /nfs/dbraw/zinc/36/29/82/174362982.db2.gz KPFXRWQHJJAXLD-LLVKDONJSA-N 1 0 273.336 2.042 10 0 CEAERO Cc1csc2nc(C)c(C[NH2+]CCc3nccn3C)n12 ZINC000040639142 174363590 /nfs/dbraw/zinc/36/35/90/174363590.db2.gz AECHXRUDORHHOA-UHFFFAOYSA-N 1 0 289.408 2.078 10 0 CEAERO CCOC(=O)N[C@H](C[NH3+])c1cccc(OC(C)C)c1 ZINC000040641008 174364390 /nfs/dbraw/zinc/36/43/90/174364390.db2.gz SLTPYCODGCXFLA-CYBMUJFWSA-N 1 0 266.341 2.220 10 0 CEAERO CC(C)C[NH2+][C@@H](C(N)=O)c1cccc(OC(C)C)c1 ZINC000040666483 174366596 /nfs/dbraw/zinc/36/65/96/174366596.db2.gz ZCRKNOOMEXCVDT-CQSZACIVSA-N 1 0 264.369 2.246 10 0 CEAERO Cc1n[nH]c(C)c1C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000040670963 174368729 /nfs/dbraw/zinc/36/87/29/174368729.db2.gz GCSLUJPVMYNUTG-MEDUHNTESA-N 1 0 292.427 2.267 10 0 CEAERO C=COCCC[NH2+][C@@H]1CCN(CCc2ccccc2)C1 ZINC000040671303 174369780 /nfs/dbraw/zinc/36/97/80/174369780.db2.gz LMCQDJSVURKATI-QGZVFWFLSA-N 1 0 274.408 2.443 10 0 CEAERO CC(C)([NH2+][C@H]1CCSc2ccccc21)C(N)=O ZINC000040674172 174373010 /nfs/dbraw/zinc/37/30/10/174373010.db2.gz IDBCEZSHMSYXCE-JTQLQIEISA-N 1 0 250.367 2.077 10 0 CEAERO CC(C)([NH2+][C@H]1CCSc2c(F)cccc21)C(N)=O ZINC000040674669 174373524 /nfs/dbraw/zinc/37/35/24/174373524.db2.gz IUGUUBCZDAZUCL-JTQLQIEISA-N 1 0 268.357 2.216 10 0 CEAERO CCOC1CC[NH+](CCOc2cccc(N)c2)CC1 ZINC000040678360 174374315 /nfs/dbraw/zinc/37/43/15/174374315.db2.gz MESYUHCADYMGDN-UHFFFAOYSA-N 1 0 264.369 2.149 10 0 CEAERO CCOC1CC[NH+](Cc2ccc(C(N)=S)cc2)CC1 ZINC000040689477 174376497 /nfs/dbraw/zinc/37/64/97/174376497.db2.gz LGYBVYZCLSVGGH-UHFFFAOYSA-N 1 0 278.421 2.322 10 0 CEAERO CCOC1CCN(c2nc3sccn3c2C[NH2+]C)CC1 ZINC000040689857 174376588 /nfs/dbraw/zinc/37/65/88/174376588.db2.gz ZTEWADQUWXUDLU-UHFFFAOYSA-N 1 0 294.424 2.121 10 0 CEAERO [NH3+][C@@H](CCO)c1nc2ccccc2n1-c1ccccc1 ZINC000040710257 174380836 /nfs/dbraw/zinc/38/08/36/174380836.db2.gz KFRRVTZOWZVZCX-ZDUSSCGKSA-N 1 0 267.332 2.408 10 0 CEAERO C[C@@H]1CC[N@H+](CCCC(=O)Nc2ccc(F)cc2N)C1 ZINC000040716766 174384575 /nfs/dbraw/zinc/38/45/75/174384575.db2.gz SBRMTRSRESFHGP-LLVKDONJSA-N 1 0 279.359 2.468 10 0 CEAERO C[C@H]1CCN([C@@H](C[NH3+])c2ccc(Br)o2)C1 ZINC000040717559 174384961 /nfs/dbraw/zinc/38/49/61/174384961.db2.gz MCYJQRHUCXLIBI-IUCAKERBSA-N 1 0 273.174 2.384 10 0 CEAERO O=C(Nc1ccc(CCO)cc1)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000040739155 174390114 /nfs/dbraw/zinc/39/01/14/174390114.db2.gz KYHVMVHJKMDHLC-CWRNSKLLSA-N 1 0 288.391 2.081 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(F)cccc1F ZINC000040749762 174394483 /nfs/dbraw/zinc/39/44/83/174394483.db2.gz GFXFXYHVCYEKFA-PBINXNQUSA-N 1 0 266.291 2.059 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)Nc1cccc(Cl)c1 ZINC000040749957 174394656 /nfs/dbraw/zinc/39/46/56/174394656.db2.gz WUHXDMLCJPYSBG-QXMXGUDHSA-N 1 0 293.798 2.233 10 0 CEAERO Cc1ccc(NC(=O)CN2[C@@H]3CC[C@H]2CC([NH3+])C3)c(C)c1 ZINC000040750033 174394785 /nfs/dbraw/zinc/39/47/85/174394785.db2.gz VNVHUGSMYBBPGN-GOOCMWNKSA-N 1 0 287.407 2.196 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1noc(-c2cccs2)n1 ZINC000040750193 174395045 /nfs/dbraw/zinc/39/50/45/174395045.db2.gz PTTLKLPCGCEJAW-FGWVZKOKSA-N 1 0 290.392 2.252 10 0 CEAERO COc1ccc(CN2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1F ZINC000040750108 174395166 /nfs/dbraw/zinc/39/51/66/174395166.db2.gz NMVVBUFNUWZANR-YHWZYXNKSA-N 1 0 264.344 2.288 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2c1ncnc2ccccc21 ZINC000040750589 174395490 /nfs/dbraw/zinc/39/54/90/174395490.db2.gz KFUCWXWDNHVCDA-YOGCLGLASA-N 1 0 254.337 2.088 10 0 CEAERO CC(C)n1cc(N)cc1C(=O)NCC[NH+]1CCC(C)CC1 ZINC000040770901 174399971 /nfs/dbraw/zinc/39/99/71/174399971.db2.gz SOAHOJYGNUMYGW-UHFFFAOYSA-N 1 0 292.427 2.113 10 0 CEAERO COc1cccc(NC(=O)N[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000041093352 174478465 /nfs/dbraw/zinc/47/84/65/174478465.db2.gz BHZDJVQJNYMFMW-STQMWFEESA-N 1 0 263.341 2.087 10 0 CEAERO Cc1cc(C)cc(CNC(=O)C2CCC([NH3+])CC2)c1 ZINC000662864160 414778608 /nfs/dbraw/zinc/77/86/08/414778608.db2.gz LHSWCVXRAAFGIM-UHFFFAOYSA-N 1 0 260.381 2.437 10 0 CEAERO [NH3+]C1CCC(C(=O)NC[C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000662873789 414782550 /nfs/dbraw/zinc/78/25/50/414782550.db2.gz RLRMLXAQPNLXDQ-BMYFTYEUSA-N 1 0 250.386 2.056 10 0 CEAERO C[C@H]1CCC[C@]([NH3+])(c2noc(-c3ccccn3)n2)C1 ZINC000041154265 174499957 /nfs/dbraw/zinc/49/99/57/174499957.db2.gz RQIDUNIJWZGBTL-IINYFYTJSA-N 1 0 258.325 2.496 10 0 CEAERO COc1ccc(NC[C@@H]2CCC[NH2+]C2)c(OC)c1 ZINC000041306855 174515963 /nfs/dbraw/zinc/51/59/63/174515963.db2.gz FBWASMWKHSHZQS-LLVKDONJSA-N 1 0 250.342 2.115 10 0 CEAERO CCC1(CC)CCCN(C(=O)[C@@]2(COC)CCC[NH2+]2)C1 ZINC000662884930 414787953 /nfs/dbraw/zinc/78/79/53/414787953.db2.gz QWSXKAHSAYZYKY-INIZCTEOSA-N 1 0 282.428 2.184 10 0 CEAERO CC[C@H](CCN1CC[NH2+]CC1)c1ccccc1OC ZINC000041354921 174533268 /nfs/dbraw/zinc/53/32/68/174533268.db2.gz GOHXYNGJXKOTGU-CQSZACIVSA-N 1 0 262.397 2.484 10 0 CEAERO C[C@@H]1CCCC[C@@H]1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246409179 287292835 /nfs/dbraw/zinc/29/28/35/287292835.db2.gz KUVSPFBKFAAVIV-ILXRZTDVSA-N 1 0 279.428 2.445 10 0 CEAERO CC[C@@H]1CN(c2ncccc2Br)CC[C@@H]1[NH3+] ZINC000123031525 414792608 /nfs/dbraw/zinc/79/26/08/414792608.db2.gz GVVGPFAPWRKNLW-KOLCDFICSA-N 1 0 284.201 2.408 10 0 CEAERO Cc1oc(C)c(C(=O)N(C)[C@H](C[NH3+])C(F)(F)F)c1C ZINC000662976264 414814536 /nfs/dbraw/zinc/81/45/36/414814536.db2.gz FEITWRSUUGPBJZ-SECBINFHSA-N 1 0 278.274 2.166 10 0 CEAERO C[C@@H](C(=O)N(C)[C@H](C[NH3+])C(F)(F)F)c1ccccc1 ZINC000662984031 414818890 /nfs/dbraw/zinc/81/88/90/414818890.db2.gz IMNFEVBDADNDNE-MWLCHTKSSA-N 1 0 274.286 2.138 10 0 CEAERO CCc1ccccc1C(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662983981 414819599 /nfs/dbraw/zinc/81/95/99/414819599.db2.gz HHWIFARNEMNVCB-LLVKDONJSA-N 1 0 274.286 2.211 10 0 CEAERO C(COC[C@H]1CCCO1)[NH2+]C1(C2CCC2)CCC1 ZINC000657263993 414822823 /nfs/dbraw/zinc/82/28/23/414822823.db2.gz IHJLKKVBSSZHQA-CQSZACIVSA-N 1 0 253.386 2.494 10 0 CEAERO Cc1nc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)co1 ZINC000660464476 414834697 /nfs/dbraw/zinc/83/46/97/414834697.db2.gz LLTKINIFUFEALW-KFWWJZLASA-N 1 0 264.369 2.499 10 0 CEAERO CC(C)C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC000230771188 414846814 /nfs/dbraw/zinc/84/68/14/414846814.db2.gz PDORINPNTYFALQ-MELADBBJSA-N 1 0 252.402 2.460 10 0 CEAERO [NH3+]C[C@]12CCC[C@H]1CN(c1ncnc3sccc31)C2 ZINC000311683356 414860225 /nfs/dbraw/zinc/86/02/25/414860225.db2.gz JDUIMHNXISGYQC-HZMBPMFUSA-N 1 0 274.393 2.257 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC1(COC)CCC1 ZINC000311751950 414860949 /nfs/dbraw/zinc/86/09/49/414860949.db2.gz CSYFMRLPCWMBAD-HUUCEWRRSA-N 1 0 266.429 2.362 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cn(C)c2ccccc12 ZINC000653136016 414919933 /nfs/dbraw/zinc/91/99/33/414919933.db2.gz XWTWZMKDSJABSB-BXUZGUMPSA-N 1 0 271.364 2.049 10 0 CEAERO CCCCC[C@H](C)[NH2+]C[C@H](O)COCCOC(C)C ZINC000042257793 174668051 /nfs/dbraw/zinc/66/80/51/174668051.db2.gz PEJYDIAYGHICPT-GJZGRUSLSA-N 1 0 275.433 2.347 10 0 CEAERO [NH3+]C[C@]12CCC[C@H]1CN(c1cnc3ccccc3n1)C2 ZINC000312938239 414868403 /nfs/dbraw/zinc/86/84/03/414868403.db2.gz FXBSMYZTHICTQP-LRDDRELGSA-N 1 0 268.364 2.195 10 0 CEAERO COc1ccc(C(=O)CN2CCC(C[NH+](C)C)CC2)cc1 ZINC000042395226 174708425 /nfs/dbraw/zinc/70/84/25/174708425.db2.gz AMWJQCZVAQRTNR-UHFFFAOYSA-N 1 0 290.407 2.152 10 0 CEAERO CC(=O)Nc1ccc(SCC[NH2+]C2CC2)cc1 ZINC000042407442 174713510 /nfs/dbraw/zinc/71/35/10/174713510.db2.gz MRSBMPWKFVDDJZ-UHFFFAOYSA-N 1 0 250.367 2.489 10 0 CEAERO O=C(Nc1ccc(F)cc1F)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653057247 414892125 /nfs/dbraw/zinc/89/21/25/414892125.db2.gz VRDFXYVUMPEAKF-HTQZYQBOSA-N 1 0 294.223 2.301 10 0 CEAERO Cc1ccc(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)s1 ZINC000653065626 414892996 /nfs/dbraw/zinc/89/29/96/414892996.db2.gz MMOKGDUFISEZAY-NXEZZACHSA-N 1 0 292.326 2.071 10 0 CEAERO Cc1cccc(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)c1 ZINC000653065671 414893848 /nfs/dbraw/zinc/89/38/48/414893848.db2.gz OJFDWHPVCLJMGB-VXGBXAGGSA-N 1 0 286.297 2.009 10 0 CEAERO Cc1c(F)cccc1NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653065852 414894850 /nfs/dbraw/zinc/89/48/50/414894850.db2.gz VUJBUVWHVDXNTD-RKDXNWHRSA-N 1 0 290.260 2.471 10 0 CEAERO CCc1cc(CC)nc(NCC[C@@H]([NH3+])C(C)C)n1 ZINC000663275373 414901967 /nfs/dbraw/zinc/90/19/67/414901967.db2.gz HCOJHGGVESTJKI-CYBMUJFWSA-N 1 0 250.390 2.387 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]CCOCCF)c1C ZINC000663461852 414960216 /nfs/dbraw/zinc/96/02/16/414960216.db2.gz IBATUUVDACBSBT-SNVBAGLBSA-N 1 0 257.353 2.157 10 0 CEAERO C[C@@H]1CCCC[C@H]1N(C)S(=O)(=O)c1cccc(C[NH3+])c1 ZINC000042609391 174822798 /nfs/dbraw/zinc/82/27/98/174822798.db2.gz UWWBKRNNZDZVSD-IUODEOHRSA-N 1 0 296.436 2.345 10 0 CEAERO OCC1CC([NH2+]Cc2cccc(Br)c2F)C1 ZINC000657810741 415089250 /nfs/dbraw/zinc/08/92/50/415089250.db2.gz JTHXJSUEFLBUNK-UHFFFAOYSA-N 1 0 288.160 2.449 10 0 CEAERO CCOCCO[C@H](c1ccc(OC)cc1)[C@@H](C)[NH3+] ZINC000042962955 174927728 /nfs/dbraw/zinc/92/77/28/174927728.db2.gz BMMXTGBRGOOHMS-RISCZKNCSA-N 1 0 253.342 2.137 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1cccc(Cl)c1)N1CCO[C@H](C)C1 ZINC000042974944 174938603 /nfs/dbraw/zinc/93/86/03/174938603.db2.gz STAGJRHPCFFJTJ-JTNHKYCSSA-N 1 0 268.788 2.449 10 0 CEAERO COC(=O)CS[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000043019527 174944409 /nfs/dbraw/zinc/94/44/09/174944409.db2.gz QWXSCGWEEGVRRU-JTQLQIEISA-N 1 0 259.758 2.246 10 0 CEAERO COc1cccc([C@H](C[NH3+])n2cc(Br)cn2)c1 ZINC000043028914 174948366 /nfs/dbraw/zinc/94/83/66/174948366.db2.gz FJRDUYPRLWRVRL-LBPRGKRZSA-N 1 0 296.168 2.202 10 0 CEAERO Cc1ccccc1[C@H]([C@H](C)[NH3+])N1CCOC(C)(C)C1 ZINC000043035618 174950316 /nfs/dbraw/zinc/95/03/16/174950316.db2.gz HPPBTCPAHYKAPO-ZFWWWQNUSA-N 1 0 262.397 2.494 10 0 CEAERO CCOC1CCC([NH2+][C@H]2CCCC[C@@H]2CO)CC1 ZINC000657890494 415116605 /nfs/dbraw/zinc/11/66/05/415116605.db2.gz SFVDTQWUNGEROS-URGYJCLVSA-N 1 0 255.402 2.475 10 0 CEAERO COCCN([C@@H](c1ccccc1OC)[C@@H](C)[NH3+])C1CC1 ZINC000043098126 174965996 /nfs/dbraw/zinc/96/59/96/174965996.db2.gz QAVDFGJRXLZONI-MLGOLLRUSA-N 1 0 278.396 2.194 10 0 CEAERO COC(=O)CCS[C@H](C[NH3+])c1sccc1C ZINC000043251429 174994074 /nfs/dbraw/zinc/99/40/74/174994074.db2.gz RKXGKFHWEUUEEJ-SECBINFHSA-N 1 0 259.396 2.353 10 0 CEAERO C[C@H]([NH3+])[C@H](n1nnc(-c2ccccc2)n1)C(C)(C)C ZINC000043294917 174999028 /nfs/dbraw/zinc/99/90/28/174999028.db2.gz BCGXYQAQLDMPDA-JQWIXIFHSA-N 1 0 259.357 2.275 10 0 CEAERO [NH3+][C@H](c1cccc(Cl)c1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000043299970 175000988 /nfs/dbraw/zinc/00/09/88/175000988.db2.gz FNYSQJWVAPTLDK-HQJQHLMTSA-N 1 0 294.203 2.428 10 0 CEAERO CC(C)c1ccc([C@@H]([NH3+])[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000043299986 175001221 /nfs/dbraw/zinc/00/12/21/175001221.db2.gz GJRJCSBBFCJVKF-ZIAGYGMSSA-N 1 0 267.394 2.245 10 0 CEAERO CC[NH2+][C@@H](c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300913 175001388 /nfs/dbraw/zinc/00/13/88/175001388.db2.gz NCBPLSPDYIISCK-KGLIPLIRSA-N 1 0 267.394 2.080 10 0 CEAERO CC[NH2+][C@H](c1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 ZINC000043300782 175001408 /nfs/dbraw/zinc/00/14/08/175001408.db2.gz MMEXQZYNTJQSIT-DOMZBBRYSA-N 1 0 297.420 2.171 10 0 CEAERO CC[NH2+][C@@H](c1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 ZINC000043300781 175001756 /nfs/dbraw/zinc/00/17/56/175001756.db2.gz MMEXQZYNTJQSIT-IUODEOHRSA-N 1 0 297.420 2.171 10 0 CEAERO CCC[NH2+][C@H]([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000043301320 175002055 /nfs/dbraw/zinc/00/20/55/175002055.db2.gz DFYMGGQAESTKOL-KBPBESRZSA-N 1 0 273.442 2.370 10 0 CEAERO Cc1cccc([C@H](C[NH3+])N(C)Cc2cnn(C)c2)c1C ZINC000043314873 175004705 /nfs/dbraw/zinc/00/47/05/175004705.db2.gz DWSAHEOQKFEDEF-INIZCTEOSA-N 1 0 272.396 2.169 10 0 CEAERO Cc1c(F)cccc1NC(=O)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000043322307 175005978 /nfs/dbraw/zinc/00/59/78/175005978.db2.gz FBEFEOHNPQNELB-KOLCDFICSA-N 1 0 250.317 2.461 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccco1)N(CCCOC)CCOC ZINC000043335995 175012038 /nfs/dbraw/zinc/01/20/38/175012038.db2.gz KTSAHNWWLKCUCD-ZFWWWQNUSA-N 1 0 284.400 2.043 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1n[nH]c(C)n1)c1ccco1 ZINC000043338668 175013358 /nfs/dbraw/zinc/01/33/58/175013358.db2.gz HSAZMBIVGYBTIA-PSASIEDQSA-N 1 0 252.343 2.277 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccccn1)N(C)CCc1ccncc1 ZINC000043339602 175013664 /nfs/dbraw/zinc/01/36/64/175013664.db2.gz KEQBVOUPOINHEH-RDJZCZTQSA-N 1 0 284.407 2.430 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccccn1)N(CCO)C1CCCC1 ZINC000043340872 175014571 /nfs/dbraw/zinc/01/45/71/175014571.db2.gz MQLJJXPKMPVGQQ-GOEBONIOSA-N 1 0 277.412 2.097 10 0 CEAERO CCN(Cc1ccncc1)[C@@H](c1ccccn1)[C@@H](C)[NH3+] ZINC000043340261 175014597 /nfs/dbraw/zinc/01/45/97/175014597.db2.gz JUKXMPLACZMJKN-CZUORRHYSA-N 1 0 270.380 2.387 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccccn1)N(CCO)C1CCCCC1 ZINC000043340851 175014640 /nfs/dbraw/zinc/01/46/40/175014640.db2.gz QBCOUFXXIUMOAL-WBVHZDCISA-N 1 0 291.439 2.487 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1cccnc1)n1ccc(C(F)(F)F)n1 ZINC000043349029 175019152 /nfs/dbraw/zinc/01/91/52/175019152.db2.gz VRDKTNYJODPLLO-KWQFWETISA-N 1 0 270.258 2.234 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1nccn1C)c1cccnc1 ZINC000043351633 175019563 /nfs/dbraw/zinc/01/95/63/175019563.db2.gz CZVQOZQNLHVVOL-NEPJUHHUSA-N 1 0 262.382 2.386 10 0 CEAERO C[C@H]([NH3+])[C@H](c1ccncc1)N(C)CCc1ccncc1 ZINC000043353855 175020789 /nfs/dbraw/zinc/02/07/89/175020789.db2.gz KICKBWAONRRCPW-XJKSGUPXSA-N 1 0 270.380 2.039 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccncc1)N(C)Cc1cscn1 ZINC000043354856 175022554 /nfs/dbraw/zinc/02/25/54/175022554.db2.gz SCBDDGGDGUZZFW-KGLIPLIRSA-N 1 0 276.409 2.449 10 0 CEAERO CCCCOCCO[C@H](c1ccncc1)[C@H](C)[NH3+] ZINC000043355946 175023492 /nfs/dbraw/zinc/02/34/92/175023492.db2.gz KHENBIUTINVUBI-JSGCOSHPSA-N 1 0 252.358 2.303 10 0 CEAERO COc1ccc(CO[C@@H](C[NH3+])c2ccncc2)cc1 ZINC000043355847 175023609 /nfs/dbraw/zinc/02/36/09/175023609.db2.gz ISGQDJNGQUAWPT-HNNXBMFYSA-N 1 0 258.321 2.307 10 0 CEAERO CN(C)c1cccc(O[C@@H](C[NH3+])c2ccncc2)c1 ZINC000043356310 175023694 /nfs/dbraw/zinc/02/36/94/175023694.db2.gz HJKXBSLHTAAAGT-HNNXBMFYSA-N 1 0 257.337 2.226 10 0 CEAERO CCOC(=O)CS[C@@H](c1ccncc1)[C@H]([NH3+])CC ZINC000043363485 175024295 /nfs/dbraw/zinc/02/42/95/175024295.db2.gz MMWBVLVPNYYCSX-YPMHNXCESA-N 1 0 268.382 2.156 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)N(C)[C@@H](C)COC ZINC000043364901 175025234 /nfs/dbraw/zinc/02/52/34/175025234.db2.gz CFUHNERCZLZHKN-SUHUHFCYSA-N 1 0 254.374 2.333 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccc(C)o1)N(CC(N)=O)C1CCCC1 ZINC000043365104 175026304 /nfs/dbraw/zinc/02/63/04/175026304.db2.gz FIDMSUOCAGKDDX-XJKSGUPXSA-N 1 0 293.411 2.096 10 0 CEAERO CC[C@H]([NH3+])[C@H](SCC(=O)OC)c1ccc(C)o1 ZINC000043367615 175027570 /nfs/dbraw/zinc/02/75/70/175027570.db2.gz ZNKPUBTUAFEMPK-CABZTGNLSA-N 1 0 257.355 2.273 10 0 CEAERO C[C@@H]([NH3+])[C@@H](N1CCC[C@@H]1c1cccnc1)C(F)(F)F ZINC000043377500 175030192 /nfs/dbraw/zinc/03/01/92/175030192.db2.gz BLQWJUSXVLMYFO-YUSALJHKSA-N 1 0 273.302 2.497 10 0 CEAERO CCN(Cc1ccco1)[C@H]([C@@H](C)[NH3+])C(F)(F)F ZINC000043378218 175030404 /nfs/dbraw/zinc/03/04/04/175030404.db2.gz LPKNLFKVKNEQTF-PSASIEDQSA-N 1 0 250.264 2.380 10 0 CEAERO CC[C@@H]([NH3+])[C@H](N(C)Cc1cc(C)on1)C(F)(F)F ZINC000043377729 175030423 /nfs/dbraw/zinc/03/04/23/175030423.db2.gz YACHATQNNYWTSK-ZJUUUORDSA-N 1 0 265.279 2.083 10 0 CEAERO CCN(Cc1ccncc1)[C@@H]([C@@H](C)[NH3+])C(F)(F)F ZINC000043378526 175030437 /nfs/dbraw/zinc/03/04/37/175030437.db2.gz LSHPWMOTWOZIQB-KOLCDFICSA-N 1 0 261.291 2.182 10 0 CEAERO Cc1nnc(S[C@H]([C@@H](C)[NH3+])C(F)(F)F)s1 ZINC000043386306 175031952 /nfs/dbraw/zinc/03/19/52/175031952.db2.gz IOEIEAYRAJWUTK-NQXXGFSBSA-N 1 0 257.306 2.217 10 0 CEAERO CC[C@@H](C)N(CCOC)c1nc(C)ccc1C[NH3+] ZINC000043395998 175035511 /nfs/dbraw/zinc/03/55/11/175035511.db2.gz QMWIRHLZUSYCDI-GFCCVEGCSA-N 1 0 251.374 2.100 10 0 CEAERO [NH3+]CC1(CC(=O)OC[C@H]2CCCO2)CCCCC1 ZINC000043414018 175037878 /nfs/dbraw/zinc/03/78/78/175037878.db2.gz LKGGFMJQWQQOIU-GFCCVEGCSA-N 1 0 255.358 2.008 10 0 CEAERO CCC[NH2+][C@H](CN1CCOCC1)c1cc(C)ccc1OC ZINC000043808708 175108913 /nfs/dbraw/zinc/10/89/13/175108913.db2.gz NOBOUWBKJOHPAF-MRXNPFEDSA-N 1 0 292.423 2.377 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2OC[C@@H]1N1C[C@@H](C)O[C@@H](C)C1 ZINC000043811557 175110869 /nfs/dbraw/zinc/11/08/69/175110869.db2.gz HJUBLTTUBHVXSX-UICACZKSSA-N 1 0 290.407 2.207 10 0 CEAERO C[NH2+][C@@H]1CCC2(C[C@@H]1N1CCCCCCC1)OCCO2 ZINC000043819094 175113731 /nfs/dbraw/zinc/11/37/31/175113731.db2.gz SHVIBJNRFAVOOP-CABCVRRESA-N 1 0 282.428 2.136 10 0 CEAERO C[NH2+][C@@H](CN(C)C1CC1)c1cc(OC)ccc1OC ZINC000043822648 175114613 /nfs/dbraw/zinc/11/46/13/175114613.db2.gz BFIPTRGJGDYVLW-AWEZNQCLSA-N 1 0 264.369 2.059 10 0 CEAERO CCCN(C)C[C@H]([NH2+]CC)c1ccc2c(c1)OCCO2 ZINC000043886106 175116510 /nfs/dbraw/zinc/11/65/10/175116510.db2.gz VDQOEOFROSUUEP-AWEZNQCLSA-N 1 0 278.396 2.450 10 0 CEAERO C[NH2+][C@@H](CN1CCOC[C@@H]1C)c1ccc(C)cc1C ZINC000043891128 175118283 /nfs/dbraw/zinc/11/82/83/175118283.db2.gz SJEAVVXNRHKTHO-HOCLYGCPSA-N 1 0 262.397 2.285 10 0 CEAERO C[NH2+][C@H](CN1CCOC(C)(C)C1)c1ccc(C)cc1 ZINC000043897601 175120397 /nfs/dbraw/zinc/12/03/97/175120397.db2.gz JIOSUYSNFYJNQI-OAHLLOKOSA-N 1 0 262.397 2.366 10 0 CEAERO C[NH2+][C@H]1c2ccccc2CC[C@H]1N(C)C1CCOCC1 ZINC000043898294 175120994 /nfs/dbraw/zinc/12/09/94/175120994.db2.gz DMNYNVWLQFGKDT-SJORKVTESA-N 1 0 274.408 2.373 10 0 CEAERO C[NH2+][C@H](CN(C)C1CCOCC1)c1ccc(OC)cc1 ZINC000043898172 175121027 /nfs/dbraw/zinc/12/10/27/175121027.db2.gz UOWFSWVBCGAIMI-MRXNPFEDSA-N 1 0 278.396 2.067 10 0 CEAERO C[NH2+][C@@H](CN(C)C1CCOCC1)c1ccccc1C ZINC000043898205 175121083 /nfs/dbraw/zinc/12/10/83/175121083.db2.gz LIBCGZWYIUGDJN-INIZCTEOSA-N 1 0 262.397 2.366 10 0 CEAERO C[NH2+][C@@H](CN1CCC[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000043902564 175122468 /nfs/dbraw/zinc/12/24/68/175122468.db2.gz JWWREEIZCRYYHF-JSGCOSHPSA-N 1 0 276.380 2.203 10 0 CEAERO CCOC1CCN([C@H]2C[C@H](C)CC[C@@H]2[NH2+]C)CC1 ZINC000043906891 175122603 /nfs/dbraw/zinc/12/26/03/175122603.db2.gz ZZZWKXNVKUFMMP-SNPRPXQTSA-N 1 0 254.418 2.264 10 0 CEAERO CCC[C@@H]([NH2+]CC)[C@@H](CC)N(CCOC)CCOC ZINC000043912805 175124413 /nfs/dbraw/zinc/12/44/13/175124413.db2.gz CVWGILHPWJUACZ-HUUCEWRRSA-N 1 0 274.449 2.138 10 0 CEAERO C[NH2+][C@H]1c2ccccc2CCC[C@H]1N(C)CCOC ZINC000043915179 175124538 /nfs/dbraw/zinc/12/45/38/175124538.db2.gz BVURQTZWDDYPRS-CVEARBPZSA-N 1 0 262.397 2.230 10 0 CEAERO CCC[NH2+][C@@H]1CCCC[C@@H]1N(CCOC)C1CC1 ZINC000043970160 175130936 /nfs/dbraw/zinc/13/09/36/175130936.db2.gz LUIOIRRKZJNHKE-CABCVRRESA-N 1 0 254.418 2.408 10 0 CEAERO C[NH2+][C@H](c1ccc(OC)cc1)[C@@H](C)N(CCOC)C1CC1 ZINC000043969739 175131081 /nfs/dbraw/zinc/13/10/81/175131081.db2.gz XLSKOIKUTDUIIJ-DYVFJYSZSA-N 1 0 292.423 2.455 10 0 CEAERO CC[NH2+][C@H]1CCCCC[C@@H]1N(CCOC)C1CC1 ZINC000043969894 175131183 /nfs/dbraw/zinc/13/11/83/175131183.db2.gz AZZRDQSOUYUTTF-GJZGRUSLSA-N 1 0 254.418 2.408 10 0 CEAERO O=C(c1ccc(OC2CC[NH2+]CC2)cc1)N1CCCC1 ZINC000044029913 175138891 /nfs/dbraw/zinc/13/88/91/175138891.db2.gz LUIRKCYWZDBDJQ-UHFFFAOYSA-N 1 0 274.364 2.053 10 0 CEAERO Cc1ccc([C@H](O)C[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000044121042 175143006 /nfs/dbraw/zinc/14/30/06/175143006.db2.gz ONNAZDDPAWKPNT-MRXNPFEDSA-N 1 0 262.397 2.054 10 0 CEAERO CCn1cc([C@H](C)[NH2+][C@@H]2CCCN(CC)C2)cn1 ZINC000044500064 175185371 /nfs/dbraw/zinc/18/53/71/175185371.db2.gz RKUXVVUJFIZESQ-GXTWGEPZSA-N 1 0 250.390 2.038 10 0 CEAERO CCC[NH2+]CC(=O)NCc1ccc(Br)s1 ZINC000044650749 175224765 /nfs/dbraw/zinc/22/47/65/175224765.db2.gz IPMTZFLOMOQPGT-UHFFFAOYSA-N 1 0 291.214 2.126 10 0 CEAERO C[NH2+][C@H]1CCCc2cc(OCc3nnc(C)n3C)ccc21 ZINC000044745335 175241472 /nfs/dbraw/zinc/24/14/72/175241472.db2.gz HBMXCSXZUAMGAK-HNNXBMFYSA-N 1 0 286.379 2.299 10 0 CEAERO CC[NH2+][C@H]1CCCc2cc(OCC(=O)NC3CC3)ccc21 ZINC000044745634 175242013 /nfs/dbraw/zinc/24/20/13/175242013.db2.gz HBONKGBVAZPJIC-INIZCTEOSA-N 1 0 288.391 2.331 10 0 CEAERO CC(=O)N1CCC([NH2+][C@@H]2CCCc3cc(O)ccc32)CC1 ZINC000044747268 175242633 /nfs/dbraw/zinc/24/26/33/175242633.db2.gz JNKJMJXMTPLSKR-QGZVFWFLSA-N 1 0 288.391 2.370 10 0 CEAERO Cc1n[nH]c(C)c1NC(=O)C1(C[NH3+])CCCCCC1 ZINC000044762770 175246727 /nfs/dbraw/zinc/24/67/27/175246727.db2.gz AZTQDIXZCWNCIN-UHFFFAOYSA-N 1 0 264.373 2.264 10 0 CEAERO COc1ccc(NC(=O)C2(C[NH3+])CCCC2)cc1C ZINC000044763794 175247944 /nfs/dbraw/zinc/24/79/44/175247944.db2.gz BZMWWXLGDJYZMG-UHFFFAOYSA-N 1 0 262.353 2.461 10 0 CEAERO COc1ccc(NC(=O)[C@@H](C[NH3+])Cc2ccccc2)cc1 ZINC000044793247 175254140 /nfs/dbraw/zinc/25/41/40/175254140.db2.gz NCYXCDCHBKCFLD-CQSZACIVSA-N 1 0 284.359 2.451 10 0 CEAERO CN(C(=O)[C@@H](C[NH3+])Cc1ccccc1)c1ccccc1 ZINC000044795994 175254514 /nfs/dbraw/zinc/25/45/14/175254514.db2.gz GDFREKNVBHQUOZ-OAHLLOKOSA-N 1 0 268.360 2.467 10 0 CEAERO C[C@@H]1CCCN(C(=O)[C@@H](C[NH3+])Cc2ccccc2)C1 ZINC000044796141 175254556 /nfs/dbraw/zinc/25/45/56/175254556.db2.gz VXSPHOWKJXWXLX-UKRRQHHQSA-N 1 0 260.381 2.063 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N(C)Cc1ccccc1F ZINC000044804043 175256215 /nfs/dbraw/zinc/25/62/15/175256215.db2.gz XQAQNBGPAIRAQE-LLVKDONJSA-N 1 0 252.333 2.159 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)Nc1cnn(CCOC)c1 ZINC000044806413 175256627 /nfs/dbraw/zinc/25/66/27/175256627.db2.gz QXWXPXURDYJTDV-UHFFFAOYSA-N 1 0 296.415 2.013 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N[C@@H](C)c1ccccc1F ZINC000044806321 175256702 /nfs/dbraw/zinc/25/67/02/175256702.db2.gz MNNGCXSZVODHND-WDEREUQCSA-N 1 0 252.333 2.378 10 0 CEAERO CNC(=O)CC[NH2+]C1c2ccccc2-c2ccccc21 ZINC000044988214 175285013 /nfs/dbraw/zinc/28/50/13/175285013.db2.gz IAMXQBUVZQXFSB-UHFFFAOYSA-N 1 0 266.344 2.482 10 0 CEAERO COCC[C@@](C)(C[NH3+])N(C)Cc1ccc(C)cc1 ZINC000045043131 175294993 /nfs/dbraw/zinc/29/49/93/175294993.db2.gz VXVJKESOEKJMKT-HNNXBMFYSA-N 1 0 250.386 2.181 10 0 CEAERO COc1ccc(Cl)cc1C[N@H+](C)CC(N)=S ZINC000045062855 175298708 /nfs/dbraw/zinc/29/87/08/175298708.db2.gz AAKJXBHCSKPXDU-UHFFFAOYSA-N 1 0 258.774 2.067 10 0 CEAERO Cc1nn(C)c(N2CCC[C@H]2C2CCCC2)c1C[NH3+] ZINC000045085524 175303860 /nfs/dbraw/zinc/30/38/60/175303860.db2.gz QMFWOODPMKNQNM-AWEZNQCLSA-N 1 0 262.401 2.346 10 0 CEAERO Cc1ccc(Cl)cc1NC(=O)C[NH2+]C[C@@H](C)N(C)C ZINC000045107564 175307983 /nfs/dbraw/zinc/30/79/83/175307983.db2.gz FGQIYVWFIQJIPA-LLVKDONJSA-N 1 0 283.803 2.127 10 0 CEAERO Cc1ccc(Cl)cc1NC(=O)C[NH2+]C[C@H](C)N(C)C ZINC000045107565 175308067 /nfs/dbraw/zinc/30/80/67/175308067.db2.gz FGQIYVWFIQJIPA-NSHDSACASA-N 1 0 283.803 2.127 10 0 CEAERO CC(C)CCOCCNC(=O)C1(C[NH3+])CCCCC1 ZINC000045107958 175308077 /nfs/dbraw/zinc/30/80/77/175308077.db2.gz ZLJQEIRNTFTXLD-UHFFFAOYSA-N 1 0 270.417 2.075 10 0 CEAERO C[C@H](CN1C(=S)N=NC1c1ccccc1)[NH+](C)C ZINC000045108463 175308749 /nfs/dbraw/zinc/30/87/49/175308749.db2.gz RXPVWDTVFUZQLH-SNVBAGLBSA-N 1 0 262.382 2.184 10 0 CEAERO Cn1ccnc1CCNC1=[NH+]C[C@@H](c2ccccc2)S1 ZINC000045136082 175313681 /nfs/dbraw/zinc/31/36/81/175313681.db2.gz GZRGNEHWLTWINH-ZDUSSCGKSA-N 1 0 286.404 2.396 10 0 CEAERO C[NH2+][C@H](C)c1ccc(NC(=O)NCc2cnn(C)c2)cc1 ZINC000045141502 175316093 /nfs/dbraw/zinc/31/60/93/175316093.db2.gz IRMSTJUKVVFTOU-LLVKDONJSA-N 1 0 287.367 2.022 10 0 CEAERO Cc1nn(C)c(C)c1-c1c[nH]c([C@](C)([NH3+])C2CC2)n1 ZINC000045169473 175319946 /nfs/dbraw/zinc/31/99/46/175319946.db2.gz VNPZHFDWVTYNMG-CQSZACIVSA-N 1 0 259.357 2.011 10 0 CEAERO CCn1nc(C)c(-c2c[nH]c(C3CC[NH2+]CC3)n2)c1C ZINC000045169319 175320033 /nfs/dbraw/zinc/32/00/33/175320033.db2.gz DOPHJLBSWMITPY-UHFFFAOYSA-N 1 0 273.384 2.377 10 0 CEAERO CCn1nc(C)c(-c2c[nH]c(C[C@H]3CCC[NH2+]3)n2)c1C ZINC000045169642 175320393 /nfs/dbraw/zinc/32/03/93/175320393.db2.gz IMGQWNIMUKDOOS-GFCCVEGCSA-N 1 0 273.384 2.204 10 0 CEAERO CC[NH+]1CCC(N[C@H](C)c2c(C)nn(C)c2C)CC1 ZINC000045172055 175321655 /nfs/dbraw/zinc/32/16/55/175321655.db2.gz XMWVVGSAKDAGKX-LLVKDONJSA-N 1 0 264.417 2.172 10 0 CEAERO C[C@](N)(C[NH+](C1CCCCC1)C1CCCCC1)C(N)=O ZINC000045222785 175330786 /nfs/dbraw/zinc/33/07/86/175330786.db2.gz CFLQRTKHDFMUNR-INIZCTEOSA-N 1 0 281.444 2.157 10 0 CEAERO CCCC[N@H+](CC)C[C@](C)(NC1CC1)C(=O)OCC ZINC000045223329 175331601 /nfs/dbraw/zinc/33/16/01/175331601.db2.gz MAMMGMBPOVNSEB-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CCOC(=O)[C@](C)(C[NH+]1CCCCCCC1)NC1CC1 ZINC000045223709 175331691 /nfs/dbraw/zinc/33/16/91/175331691.db2.gz JUOUXJWRKDSTCE-INIZCTEOSA-N 1 0 282.428 2.326 10 0 CEAERO CC(C)[NH2+][C@@](C)(CC[NH+]1CCCCCCC1)C(=O)[O-] ZINC000045223729 175331717 /nfs/dbraw/zinc/33/17/17/175331717.db2.gz XTHVPQNTSHTMMN-HNNXBMFYSA-N 1 0 270.417 2.484 10 0 CEAERO CCCN[C@@](C)(CC[N@H+](C)C(C)C)C(=O)OCC ZINC000045229652 175333929 /nfs/dbraw/zinc/33/39/29/175333929.db2.gz WVIAUZJHXCAEEX-AWEZNQCLSA-N 1 0 258.406 2.038 10 0 CEAERO CC(C)[NH2+][C@@](C)(CC[NH+]1[C@@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000045231871 175335670 /nfs/dbraw/zinc/33/56/70/175335670.db2.gz LKEWGKILKKBQLF-YDHLFZDLSA-N 1 0 270.417 2.481 10 0 CEAERO CCCN[C@](C)(C[N@H+](C)[C@@H](C)CC)C(=O)OCC ZINC000045263885 175338006 /nfs/dbraw/zinc/33/80/06/175338006.db2.gz NZQSZQYKPFMEFF-GXTWGEPZSA-N 1 0 258.406 2.038 10 0 CEAERO CCCCC[N@H+](C)CC[C@@](C)([NH2+]CCC)C(=O)[O-] ZINC000045268193 175340826 /nfs/dbraw/zinc/34/08/26/175340826.db2.gz BMCQUXDRBKWTQE-CQSZACIVSA-N 1 0 258.406 2.341 10 0 CEAERO CCCN[C@@](C)(CC[N@H+](C)[C@@H](C)CCC)C(=O)OC ZINC000045271208 175342210 /nfs/dbraw/zinc/34/22/10/175342210.db2.gz RTYAUJQJNCLHAX-ZFWWWQNUSA-N 1 0 272.433 2.428 10 0 CEAERO CC[NH2+][C@@](C)(CC[N@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000045271954 175342826 /nfs/dbraw/zinc/34/28/26/175342826.db2.gz GOGKQVPTCHVGKJ-HNNXBMFYSA-N 1 0 270.417 2.484 10 0 CEAERO CN[C@@](C)(CC[N@H+](C)[C@@H]1CCC[C@@H](C)C1)C(=O)OC ZINC000045276658 175346879 /nfs/dbraw/zinc/34/68/79/175346879.db2.gz NOTDOBOTTAMVTH-NFAWXSAZSA-N 1 0 270.417 2.038 10 0 CEAERO CCC(CC)C[N@H+](CC)C[C@@](C)(NC1CC1)C(=O)OC ZINC000045277808 175347252 /nfs/dbraw/zinc/34/72/52/175347252.db2.gz FVBOAFORZFUOIB-MRXNPFEDSA-N 1 0 284.444 2.428 10 0 CEAERO CCCCC[N@H+](C[C@@](C)(NCC)C(=O)OC)C(C)C ZINC000045278563 175348370 /nfs/dbraw/zinc/34/83/70/175348370.db2.gz QCKVBSRJDUIPDY-OAHLLOKOSA-N 1 0 272.433 2.428 10 0 CEAERO CCCN[C@](C)(C[N@H+](C)[C@@H](C)CC(C)C)C(=O)OC ZINC000045279958 175350110 /nfs/dbraw/zinc/35/01/10/175350110.db2.gz XEVSUMSTTNMBCU-DZGCQCFKSA-N 1 0 272.433 2.284 10 0 CEAERO COC(=O)[C@](C)(C[N@H+](CC1CC1)C(C)C)NC(C)C ZINC000045280985 175350665 /nfs/dbraw/zinc/35/06/65/175350665.db2.gz BSHSZSWICFXIPJ-HNNXBMFYSA-N 1 0 270.417 2.037 10 0 CEAERO CCCC[N@H+](C[C@](C)(NC)C(=O)OCC)[C@@H](C)CC ZINC000045282534 175352776 /nfs/dbraw/zinc/35/27/76/175352776.db2.gz GMGFEKRLGARPFO-ZFWWWQNUSA-N 1 0 272.433 2.428 10 0 CEAERO CCCC[N@H+](C)CCC[C@@](C)(NC)C(=O)OCC ZINC000045368354 175362979 /nfs/dbraw/zinc/36/29/79/175362979.db2.gz MCIMJIAIYYDSLE-CQSZACIVSA-N 1 0 258.406 2.040 10 0 CEAERO CC(C)[NH2+][C@@](C)(CCC[N@@H+]1CCC[C@@H]1C)C(=O)[O-] ZINC000045367873 175363346 /nfs/dbraw/zinc/36/33/46/175363346.db2.gz GQPJOWJXPMIMMC-JSGCOSHPSA-N 1 0 256.390 2.092 10 0 CEAERO CCOC(=O)[C@](C)(CCC[N@@H+]1CCC[C@@H]1CC)NC ZINC000045367499 175363404 /nfs/dbraw/zinc/36/34/04/175363404.db2.gz LDMALBVJENFTNT-ZFWWWQNUSA-N 1 0 270.417 2.182 10 0 CEAERO CCN[C@@H](C[NH+](C1CCCCC1)C1CCCCC1)C(N)=O ZINC000045369252 175363537 /nfs/dbraw/zinc/36/35/37/175363537.db2.gz WOPLIHYIGUPBGB-INIZCTEOSA-N 1 0 295.471 2.417 10 0 CEAERO COC(=O)[C@@](C)([NH3+])CCCN1c2ccccc2C[C@@H]1C ZINC000045369050 175363810 /nfs/dbraw/zinc/36/38/10/175363810.db2.gz YZKCCZCFELIPID-LRDDRELGSA-N 1 0 276.380 2.108 10 0 CEAERO CC[NH2+][C@H](CN(CC)c1cccc2ccccc21)C(N)=O ZINC000045369612 175363829 /nfs/dbraw/zinc/36/38/29/175363829.db2.gz JUJCDRAONCBWQQ-OAHLLOKOSA-N 1 0 285.391 2.130 10 0 CEAERO CCCC[N@H+](CC)CCC[C@@](C)(NC)C(=O)OC ZINC000045370660 175364142 /nfs/dbraw/zinc/36/41/42/175364142.db2.gz OUNAAAOGTIWHFZ-CQSZACIVSA-N 1 0 258.406 2.040 10 0 CEAERO CCCC[N@H+](CC)CCC[C@](C)(NCC)C(=O)OC ZINC000045370686 175364549 /nfs/dbraw/zinc/36/45/49/175364549.db2.gz KASKLAGFLAWMFP-HNNXBMFYSA-N 1 0 272.433 2.430 10 0 CEAERO CCCN[C@@](C)(CCCC[NH+](CC)CC)C(=O)OC ZINC000045375851 175366250 /nfs/dbraw/zinc/36/62/50/175366250.db2.gz VVDSGSIHNFSLEU-HNNXBMFYSA-N 1 0 272.433 2.430 10 0 CEAERO CCN[C@](C)(CCCC[NH+](CC)CC)C(=O)OCC ZINC000045375846 175366629 /nfs/dbraw/zinc/36/66/29/175366629.db2.gz GVMMSIMDFPMJGH-OAHLLOKOSA-N 1 0 272.433 2.430 10 0 CEAERO CCC[NH2+][C@@](C)(CCC[N@H+](C)CC(C)C)C(=O)[O-] ZINC000045380944 175369709 /nfs/dbraw/zinc/36/97/09/175369709.db2.gz JFPPDOZBQXVBBZ-AWEZNQCLSA-N 1 0 258.406 2.197 10 0 CEAERO CCCN[C@@](C)(CCC[N@H+](C)CCC)C(=O)OC ZINC000045382367 175370894 /nfs/dbraw/zinc/37/08/94/175370894.db2.gz BQQROJSUWKEJCL-AWEZNQCLSA-N 1 0 258.406 2.040 10 0 CEAERO CCC[NH2+][C@@](C)(CCC[N@H+](CC)C(C)C)C(=O)[O-] ZINC000045383765 175371149 /nfs/dbraw/zinc/37/11/49/175371149.db2.gz PPBHNRXXQQUUEV-AWEZNQCLSA-N 1 0 258.406 2.340 10 0 CEAERO CCCN[C@@](C)(CCCC[N@H+](C)C1CC1)C(=O)OC ZINC000045383206 175371551 /nfs/dbraw/zinc/37/15/51/175371551.db2.gz CDEKIZPEHGUFHV-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CC[N@H+](CCCC[C@](C)([NH2+]C(C)C)C(=O)[O-])C1CC1 ZINC000045386307 175371756 /nfs/dbraw/zinc/37/17/56/175371756.db2.gz FFJWNPUCPWVJHB-HNNXBMFYSA-N 1 0 270.417 2.482 10 0 CEAERO CCC(CC)[N@H+](C)CCCC[C@](C)([NH2+]C)C(=O)[O-] ZINC000045391350 175374695 /nfs/dbraw/zinc/37/46/95/175374695.db2.gz ULGZNEDWNBCPNJ-AWEZNQCLSA-N 1 0 258.406 2.340 10 0 CEAERO COC(=O)[C@](C)(CCCC[N@H+](C)CC1CC1)NC1CC1 ZINC000045419934 175377624 /nfs/dbraw/zinc/37/76/24/175377624.db2.gz CTSRQLQUDMITEZ-INIZCTEOSA-N 1 0 282.428 2.182 10 0 CEAERO CCCC[N@H+](CCCC[C@](C)([NH2+]C)C(=O)[O-])C1CC1 ZINC000045421719 175380570 /nfs/dbraw/zinc/38/05/70/175380570.db2.gz IZWVIDXPAGJBRY-HNNXBMFYSA-N 1 0 270.417 2.484 10 0 CEAERO CC[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1ccc(F)cc1 ZINC000658244965 415280982 /nfs/dbraw/zinc/28/09/82/415280982.db2.gz OJIVEZVXEJDBIU-SMDDNHRTSA-N 1 0 264.344 2.345 10 0 CEAERO CC[NH2+]CC(C)(C)Oc1c(OC)cccc1OC ZINC000051957556 175528534 /nfs/dbraw/zinc/52/85/34/175528534.db2.gz XDAYPIHYFYDQOL-UHFFFAOYSA-N 1 0 253.342 2.471 10 0 CEAERO Cc1cccc(OCC[N@@H+](C)C[C@H](O)COC(C)(C)C)c1 ZINC000052816206 175538864 /nfs/dbraw/zinc/53/88/64/175538864.db2.gz GENAFBLCNGCPAE-HNNXBMFYSA-N 1 0 295.423 2.482 10 0 CEAERO COc1ccc2c(c1)[C@@H]([NH2+]C1CC(CO)C1)CCC2 ZINC000658352451 415332068 /nfs/dbraw/zinc/33/20/68/415332068.db2.gz VXIONBSBBHXALK-TZDAIYRESA-N 1 0 261.365 2.433 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+]C2CC(CO)C2)C12CCCC2 ZINC000658354934 415335313 /nfs/dbraw/zinc/33/53/13/415335313.db2.gz FLISYTDACZXDEF-PQAZSJQKSA-N 1 0 253.386 2.085 10 0 CEAERO CC1CCC(C[NH2+]C[C@H](O)COCC2CC2)CC1 ZINC000058864658 175629932 /nfs/dbraw/zinc/62/99/32/175629932.db2.gz UTAIVYVESVDVQL-PIMMBPRGSA-N 1 0 255.402 2.190 10 0 CEAERO CC[C@H]([NH2+]C)c1nnc(-c2ccc3nccnc3c2)o1 ZINC000061511398 175649598 /nfs/dbraw/zinc/64/95/98/175649598.db2.gz CFQUNZQEVFPQQS-JTQLQIEISA-N 1 0 269.308 2.350 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C1CCC2(CC2)CC1 ZINC000659294341 415493953 /nfs/dbraw/zinc/49/39/53/415493953.db2.gz ZJBGYMAIDYYKKP-STQMWFEESA-N 1 0 250.386 2.200 10 0 CEAERO Cc1cc(C)cc(CNC(=O)[C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000659345753 415533832 /nfs/dbraw/zinc/53/38/32/415533832.db2.gz UDCFKFKOFOAUAG-HIFRSBDPSA-N 1 0 260.381 2.308 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](C(=O)N2CCC(C)(C)CC(C)(C)C2)C1 ZINC000659359250 415538364 /nfs/dbraw/zinc/53/83/64/415538364.db2.gz XLLMTMXMJMXBKP-CHWSQXEVSA-N 1 0 282.428 2.038 10 0 CEAERO CO[C@H](CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000659382428 415551565 /nfs/dbraw/zinc/55/15/65/415551565.db2.gz JVUQMGNDYGMHGP-RBSFLKMASA-N 1 0 282.428 2.073 10 0 CEAERO CC[C@@]1(C)C[C@@H]([NH2+]CC(=O)NCc2ccccc2)CCO1 ZINC000070358883 175888521 /nfs/dbraw/zinc/88/85/21/175888521.db2.gz ATWUZKSEXCZHEL-RDJZCZTQSA-N 1 0 290.407 2.240 10 0 CEAERO Nc1cc[nH+]cc1C[C@H](O)c1cccc(F)c1F ZINC000070400348 175910265 /nfs/dbraw/zinc/91/02/65/175910265.db2.gz GQIXBXKXVYMELI-LBPRGKRZSA-N 1 0 250.248 2.218 10 0 CEAERO Cc1ccc(C[NH3+])cc1S(=O)(=O)NCCC1CCCC1 ZINC000070430784 175926091 /nfs/dbraw/zinc/92/60/91/175926091.db2.gz AILMNKGEWGTNFI-UHFFFAOYSA-N 1 0 296.436 2.312 10 0 CEAERO [NH3+]C1CCN(c2cc(-c3cccc(F)c3)[nH]n2)CC1 ZINC000070460106 175942579 /nfs/dbraw/zinc/94/25/79/175942579.db2.gz XTSBKZSERSKXDA-UHFFFAOYSA-N 1 0 260.316 2.143 10 0 CEAERO COc1cccc([C@H](C[NH3+])n2cc(C(F)(F)F)cn2)c1 ZINC000070465845 175945962 /nfs/dbraw/zinc/94/59/62/175945962.db2.gz CPKMJXSYLMCICD-LBPRGKRZSA-N 1 0 285.269 2.459 10 0 CEAERO C[C@@H]([NH3+])[C@@H](n1cc(C(F)(F)F)cn1)C(F)(F)F ZINC000070465928 175946425 /nfs/dbraw/zinc/94/64/25/175946425.db2.gz KXOIIUPMCDKOQR-INEUFUBQSA-N 1 0 261.169 2.353 10 0 CEAERO CCC[NH2+]C[C@@H]1CC[C@@H](Cn2cc(C(F)(F)F)cn2)O1 ZINC000070467812 175947995 /nfs/dbraw/zinc/94/79/95/175947995.db2.gz ANYRRJVBNPIDJB-RYUDHWBXSA-N 1 0 291.317 2.449 10 0 CEAERO C[C@H](c1ccc(Br)cc1)N1C[C@@H](C[NH3+])CC1=O ZINC000070493050 175956048 /nfs/dbraw/zinc/95/60/48/175956048.db2.gz PUSFKTNMBAXBNY-NXEZZACHSA-N 1 0 297.196 2.317 10 0 CEAERO C[C@@]1(c2ccccc2Br)C[C@]1(C[NH3+])CO ZINC000070500858 175958588 /nfs/dbraw/zinc/95/85/88/175958588.db2.gz ZGUSUVAVDQFZOH-RYUDHWBXSA-N 1 0 270.170 2.048 10 0 CEAERO CCC(CC)N(CCOC)C[C@](CO)([NH2+]C1CC1)C1CC1 ZINC000070515033 175963502 /nfs/dbraw/zinc/96/35/02/175963502.db2.gz AFKQQTKEZDOMOP-QGZVFWFLSA-N 1 0 298.471 2.017 10 0 CEAERO CC(C)[NH2+][C@](CO)(Cn1ncc2ccccc21)C1CC1 ZINC000070515673 175964626 /nfs/dbraw/zinc/96/46/26/175964626.db2.gz RPILVKOLWWKLBX-INIZCTEOSA-N 1 0 273.380 2.175 10 0 CEAERO Cc1cc(C)nc(SC[C@@](CO)([NH2+]C(C)C)C2CC2)n1 ZINC000070519938 175966517 /nfs/dbraw/zinc/96/65/17/175966517.db2.gz LTDZDDWAWNGCPE-OAHLLOKOSA-N 1 0 295.452 2.325 10 0 CEAERO Cc1cc2c(c(F)c1)N(C[C@H](C)C[NH2+]C(C)C)C(=O)C2=O ZINC000070527557 175971834 /nfs/dbraw/zinc/97/18/34/175971834.db2.gz ROQXSVKDPXODAC-LLVKDONJSA-N 1 0 292.354 2.298 10 0 CEAERO CCC[NH2+][C@H](c1ccc2c(c1)C(=O)NCC2)[C@@H]1CCOC1 ZINC000070544976 175979281 /nfs/dbraw/zinc/97/92/81/175979281.db2.gz QWXOECMNDDWSCX-GDBMZVCRSA-N 1 0 288.391 2.050 10 0 CEAERO COc1ccc([C@@H]2OCC[C@H]2C[NH3+])cc1Br ZINC000070673960 176000638 /nfs/dbraw/zinc/00/06/38/176000638.db2.gz OPAVQOKAKGMBPO-CABZTGNLSA-N 1 0 286.169 2.494 10 0 CEAERO C[NH2+]Cc1ccn(Cc2ccc(Br)s2)n1 ZINC000070708958 176002925 /nfs/dbraw/zinc/00/29/25/176002925.db2.gz FSLZYHASJNMHAA-UHFFFAOYSA-N 1 0 286.198 2.475 10 0 CEAERO C[NH2+][C@H](C)c1csc(N2CCSC[C@@H]2C)n1 ZINC000070846564 176008869 /nfs/dbraw/zinc/00/88/69/176008869.db2.gz JNDHITIDFKFKIS-DTWKUNHWSA-N 1 0 257.428 2.365 10 0 CEAERO C[N@H+](CCOc1ccc(F)cc1)C[C@H](O)COC(C)(C)C ZINC000070869833 176009559 /nfs/dbraw/zinc/00/95/59/176009559.db2.gz WFHJEEYAQHLTKC-AWEZNQCLSA-N 1 0 299.386 2.312 10 0 CEAERO [NH3+]C1(COc2ccc(Br)cn2)CCCC1 ZINC000070876126 176009609 /nfs/dbraw/zinc/00/96/09/176009609.db2.gz IRWROVCKDOFHMU-UHFFFAOYSA-N 1 0 271.158 2.494 10 0 CEAERO [NH3+]CCN(C(=O)c1ccc(F)cc1F)C1CCCC1 ZINC000070943557 176016536 /nfs/dbraw/zinc/01/65/36/176016536.db2.gz NNNICHMHMSFDLF-UHFFFAOYSA-N 1 0 268.307 2.308 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN([C@@H]2C[C@@H]2c2ccccc2)C1=O ZINC000071031680 176023141 /nfs/dbraw/zinc/02/31/41/176023141.db2.gz DDWPMADZAHUROW-RBSFLKMASA-N 1 0 258.365 2.141 10 0 CEAERO CSc1cccc(N2CC[C@@H]([NH2+]C3CC3)C2=O)c1 ZINC000071035889 176025468 /nfs/dbraw/zinc/02/54/68/176025468.db2.gz KVWFFZKZTJQKNP-CYBMUJFWSA-N 1 0 262.378 2.266 10 0 CEAERO CC(C)[NH2+][C@H]1CCCN(Cc2cccc(F)c2)C1=O ZINC000071039030 176027126 /nfs/dbraw/zinc/02/71/26/176027126.db2.gz POVRXDCWOZDWRX-AWEZNQCLSA-N 1 0 264.344 2.315 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCCN1CCc1ccccc1F ZINC000071038357 176027202 /nfs/dbraw/zinc/02/72/02/176027202.db2.gz MDCYXSOLSFYXSV-OAHLLOKOSA-N 1 0 276.355 2.111 10 0 CEAERO CCC[NH2+][C@H]1CCCN([C@H](C)c2cccnc2)C1=O ZINC000071040062 176027436 /nfs/dbraw/zinc/02/74/36/176027436.db2.gz ZTAZKJJBYGLLJG-OCCSQVGLSA-N 1 0 261.369 2.133 10 0 CEAERO CC[NH2+][C@H]1CCCN(Cc2cccc(Cl)c2)C1=O ZINC000071042481 176028472 /nfs/dbraw/zinc/02/84/72/176028472.db2.gz VHJLTGOYKBMOLK-ZDUSSCGKSA-N 1 0 266.772 2.441 10 0 CEAERO C[C@@H](C1CCCCC1)N1CC[C@@H]([NH2+]C2CC2)C1=O ZINC000071043101 176029418 /nfs/dbraw/zinc/02/94/18/176029418.db2.gz UCPVKZRFVKGTRQ-SMDDNHRTSA-N 1 0 250.386 2.308 10 0 CEAERO FC(F)(F)COCC[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000071091221 176031184 /nfs/dbraw/zinc/03/11/84/176031184.db2.gz WOLTUAIDOQBFOP-ZDUSSCGKSA-N 1 0 289.297 2.469 10 0 CEAERO FC(F)(F)COCC[NH2+]C[C@H]1OCCc2ccccc21 ZINC000071091220 176031207 /nfs/dbraw/zinc/03/12/07/176031207.db2.gz WOLTUAIDOQBFOP-CYBMUJFWSA-N 1 0 289.297 2.469 10 0 CEAERO c1ccc2c(c1)CCO[C@H]2COCC1CC[NH2+]CC1 ZINC000071091870 176032126 /nfs/dbraw/zinc/03/21/26/176032126.db2.gz VZEHANVTUOUUFB-INIZCTEOSA-N 1 0 261.365 2.317 10 0 CEAERO CC[C@H]1CCC[C@@](C[NH3+])(N2CCOC[C@@H]2CC)C1 ZINC000071123467 176035433 /nfs/dbraw/zinc/03/54/33/176035433.db2.gz ZMGURZJVKIOKHI-SOUVJXGZSA-N 1 0 254.418 2.395 10 0 CEAERO C[NH2+]C[C@H]1CCN(Cc2ncc(C(C)(C)C)o2)C1 ZINC000071146603 176042798 /nfs/dbraw/zinc/04/27/98/176042798.db2.gz CZZOZUDKJHJLAA-LLVKDONJSA-N 1 0 251.374 2.013 10 0 CEAERO CC[NH2+][C@@H]1CCOC[C@@H]1Oc1cc(F)ccc1F ZINC000071167426 176049385 /nfs/dbraw/zinc/04/93/85/176049385.db2.gz ZLPDPHSMNZDMPZ-YPMHNXCESA-N 1 0 257.280 2.111 10 0 CEAERO [NH3+]C[C@@H](Oc1cc(F)ccc1F)c1ccncc1 ZINC000071167341 176049608 /nfs/dbraw/zinc/04/96/08/176049608.db2.gz OQRHOVCMANCTKM-CYBMUJFWSA-N 1 0 250.248 2.439 10 0 CEAERO Cc1c(Cl)nnc(N[C@@H]2CCC[N@@H+](C)C2)c1C ZINC000071171434 176052012 /nfs/dbraw/zinc/05/20/12/176052012.db2.gz YLRUGYWFMZWHEQ-SNVBAGLBSA-N 1 0 254.765 2.253 10 0 CEAERO CC(C)Oc1cncc(NCc2ccccc2C[NH3+])n1 ZINC000071176109 176054812 /nfs/dbraw/zinc/05/48/12/176054812.db2.gz KOLHQBPTRVDZGQ-UHFFFAOYSA-N 1 0 272.352 2.335 10 0 CEAERO CCOc1cncc(N2CCC[C@H]2C[NH2+]CC(C)C)n1 ZINC000071176862 176055271 /nfs/dbraw/zinc/05/52/71/176055271.db2.gz FQZYUQOJBMAKMT-ZDUSSCGKSA-N 1 0 278.400 2.090 10 0 CEAERO C[C@@H](c1ccccc1F)N(C)c1cnc(C[NH3+])cn1 ZINC000071178121 176055638 /nfs/dbraw/zinc/05/56/38/176055638.db2.gz OZIIOVDTDIWDPT-JTQLQIEISA-N 1 0 260.316 2.272 10 0 CEAERO CSc1ccc(Oc2cnc(C(N)=[NH2+])cn2)cc1 ZINC000071180512 176056526 /nfs/dbraw/zinc/05/65/26/176056526.db2.gz FYFPIZRAHXXQJU-UHFFFAOYSA-N 1 0 260.322 2.275 10 0 CEAERO C[C@@H]1CCC[C@H](Sc2cnc(C(N)=[NH2+])cn2)C1 ZINC000071180571 176056659 /nfs/dbraw/zinc/05/66/59/176056659.db2.gz YVUYKZRGQOWKIS-BDAKNGLRSA-N 1 0 250.371 2.431 10 0 CEAERO Cc1cc(C[NH2+]C(C)C)cc(C)c1O[C@H]1CCN(C)C1=O ZINC000071182795 176058069 /nfs/dbraw/zinc/05/80/69/176058069.db2.gz OSGAFHRIUAKXEK-HNNXBMFYSA-N 1 0 290.407 2.411 10 0 CEAERO CCC[NH2+]Cc1ccc(O[C@H]2CCN(C)C2=O)c(Cl)c1 ZINC000071183065 176058721 /nfs/dbraw/zinc/05/87/21/176058721.db2.gz UDRZNLCWZMMLIL-AWEZNQCLSA-N 1 0 296.798 2.449 10 0 CEAERO CN(C[C@@H]1CC[N@H+](C)C1)c1ccc(N)c(OC(C)(C)C)n1 ZINC000071188472 176062916 /nfs/dbraw/zinc/06/29/16/176062916.db2.gz LURAGTRERWHZEH-GFCCVEGCSA-N 1 0 292.427 2.229 10 0 CEAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cccc2c1NCCC2 ZINC000071190532 176066799 /nfs/dbraw/zinc/06/67/99/176066799.db2.gz CNKPIRJTNOBZOM-CYBMUJFWSA-N 1 0 287.407 2.068 10 0 CEAERO CCNc1ccccc1C(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000071191853 176072029 /nfs/dbraw/zinc/07/20/29/176072029.db2.gz YXWJXDNUGNEWNO-ZDUSSCGKSA-N 1 0 275.396 2.142 10 0 CEAERO CCC[NH2+][C@@H]1CCCN(Cc2csc(C)n2)C1 ZINC000071200774 176077894 /nfs/dbraw/zinc/07/78/94/176077894.db2.gz JGWXPXWIHXMCDS-GFCCVEGCSA-N 1 0 253.415 2.416 10 0 CEAERO CCOC(=O)c1ncsc1NCC(C)(C)C[NH+](C)C ZINC000071201706 176078197 /nfs/dbraw/zinc/07/81/97/176078197.db2.gz KYBXSKHYYVSPNL-UHFFFAOYSA-N 1 0 285.413 2.320 10 0 CEAERO COc1cc([C@H]2C[NH2+][C@H](C)C2)cc(OC)c1OC ZINC000071202252 176078293 /nfs/dbraw/zinc/07/82/93/176078293.db2.gz IIWSCBHKLPZPDT-MWLCHTKSSA-N 1 0 251.326 2.178 10 0 CEAERO COc1nc(N(C)C)sc1C[NH2+][C@H]1CCC[C@@H]1C ZINC000071206399 176079969 /nfs/dbraw/zinc/07/99/69/176079969.db2.gz ILBFCSMBMFZPOG-UWVGGRQHSA-N 1 0 269.414 2.496 10 0 CEAERO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000071207038 176080374 /nfs/dbraw/zinc/08/03/74/176080374.db2.gz LQCRLCZCYSJLSB-KWCYVHTRSA-N 1 0 272.348 2.097 10 0 CEAERO CCC[NH2+][C@@H](C)Cn1cc(C(F)(F)F)ccc1=O ZINC000071212001 176083856 /nfs/dbraw/zinc/08/38/56/176083856.db2.gz RFEQTONFPFBZFA-VIFPVBQESA-N 1 0 262.275 2.255 10 0 CEAERO CCC[NH2+]C[C@@H]1CCN(Cc2scnc2C)C1 ZINC000071213156 176084926 /nfs/dbraw/zinc/08/49/26/176084926.db2.gz GLOVOXCZNOHVEK-LBPRGKRZSA-N 1 0 253.415 2.273 10 0 CEAERO Cc1ncsc1CNC[C@](C)([NH3+])c1ccccc1 ZINC000071213768 176085363 /nfs/dbraw/zinc/08/53/63/176085363.db2.gz KYTJWEOOISCXGU-AWEZNQCLSA-N 1 0 261.394 2.415 10 0 CEAERO Cc1ncsc1CNC[C@@H]([NH3+])Cc1ccccc1 ZINC000071213759 176085459 /nfs/dbraw/zinc/08/54/59/176085459.db2.gz WGGICXOXYHJKET-ZDUSSCGKSA-N 1 0 261.394 2.111 10 0 CEAERO COCCN(CCC(N)=S)c1cc[nH+]c2ccccc21 ZINC000071226507 176089879 /nfs/dbraw/zinc/08/98/79/176089879.db2.gz RQNUIQGQVOMYCD-UHFFFAOYSA-N 1 0 289.404 2.364 10 0 CEAERO COCCN(CCC(N)=[NH2+])Cc1ccc(Cl)s1 ZINC000071229106 176091054 /nfs/dbraw/zinc/09/10/54/176091054.db2.gz CLEKFJLAXQYSHV-UHFFFAOYSA-N 1 0 275.805 2.176 10 0 CEAERO CC[C@@H](C)N(CC)S(=O)(=O)c1ccc(F)c(C[NH3+])c1 ZINC000071239749 176094328 /nfs/dbraw/zinc/09/43/28/176094328.db2.gz DZYSXOWTNWYZTR-SNVBAGLBSA-N 1 0 288.388 2.094 10 0 CEAERO CCCCCN(C)S(=O)(=O)c1ccc(F)c(C[NH3+])c1 ZINC000071239763 176094468 /nfs/dbraw/zinc/09/44/68/176094468.db2.gz STBUUBQGINCXAB-UHFFFAOYSA-N 1 0 288.388 2.095 10 0 CEAERO COC[C@@H](O)C[NH2+][C@H](C)c1c(C)cc(C)cc1C ZINC000071266130 176099930 /nfs/dbraw/zinc/09/99/30/176099930.db2.gz HOINHHQPJHLTPQ-KGLIPLIRSA-N 1 0 251.370 2.270 10 0 CEAERO C[C@@H](Cc1cccs1)n1nnnc1C[NH2+]C(C)(C)C ZINC000071271997 176104820 /nfs/dbraw/zinc/10/48/20/176104820.db2.gz PYKVDXIOSDFGPH-JTQLQIEISA-N 1 0 279.413 2.426 10 0 CEAERO CCOC(=O)CCCCC[NH2+]Cc1cccnc1 ZINC000071293274 176111149 /nfs/dbraw/zinc/11/11/49/176111149.db2.gz ATVQKHAJIULLQY-UHFFFAOYSA-N 1 0 250.342 2.295 10 0 CEAERO CCN(C(=O)c1ccc(C)c(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000071312385 176119136 /nfs/dbraw/zinc/11/91/36/176119136.db2.gz DOHYPBCCGMWURN-GFCCVEGCSA-N 1 0 266.772 2.472 10 0 CEAERO CCN(Cc1ccc(O)c(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000071312375 176119144 /nfs/dbraw/zinc/11/91/44/176119144.db2.gz IGRIFMGRMCWACS-LLVKDONJSA-N 1 0 254.761 2.229 10 0 CEAERO CCN(C(=O)CCc1c[nH]c2ccccc12)[C@H]1CC[NH2+]C1 ZINC000071312637 176119217 /nfs/dbraw/zinc/11/92/17/176119217.db2.gz MNTHMHPSISAUGB-AWEZNQCLSA-N 1 0 285.391 2.311 10 0 CEAERO CCN(CC(=O)Nc1ccccc1SC)[C@@H]1CC[NH2+]C1 ZINC000071313806 176120668 /nfs/dbraw/zinc/12/06/68/176120668.db2.gz HOSICFFBKUXALV-GFCCVEGCSA-N 1 0 293.436 2.031 10 0 CEAERO CCCN(Cc1ccc(O)c(OCC)c1)[C@@H]1CC[NH2+]C1 ZINC000071314663 176121234 /nfs/dbraw/zinc/12/12/34/176121234.db2.gz YTDDRECLEZFEOL-CQSZACIVSA-N 1 0 278.396 2.365 10 0 CEAERO CCCN(C(=O)c1cc(Cl)ccc1O)[C@@H]1CC[NH2+]C1 ZINC000071330181 176124512 /nfs/dbraw/zinc/12/45/12/176124512.db2.gz PNMWSVJQASYNPC-LLVKDONJSA-N 1 0 282.771 2.260 10 0 CEAERO CCCN(Cc1nnc(-c2ccccc2)o1)[C@H]1CC[NH2+]C1 ZINC000071331880 176125134 /nfs/dbraw/zinc/12/51/34/176125134.db2.gz GAAKIYCYAYJSFG-AWEZNQCLSA-N 1 0 286.379 2.311 10 0 CEAERO Cn1nccc1C[NH2+]Cc1cc2c(c(Cl)c1)OCO2 ZINC000071333281 176125921 /nfs/dbraw/zinc/12/59/21/176125921.db2.gz XQNRJOWPJSMBMW-UHFFFAOYSA-N 1 0 279.727 2.092 10 0 CEAERO C[C@@H](CNC1CN(C(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC000071335827 176127332 /nfs/dbraw/zinc/12/73/32/176127332.db2.gz YPZMAUDCOFSIAT-ZDUSSCGKSA-N 1 0 297.443 2.070 10 0 CEAERO Cc1ccc(CC(=O)NC[C@@H]2[NH2+]CCC[C@@H]2C)cc1 ZINC000071338771 176129059 /nfs/dbraw/zinc/12/90/59/176129059.db2.gz LXPCQHNQAIJJNS-ZFWWWQNUSA-N 1 0 260.381 2.042 10 0 CEAERO Cc1cccnc1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000071338953 176129412 /nfs/dbraw/zinc/12/94/12/176129412.db2.gz STAZWUZGCYMQSF-UHFFFAOYSA-N 1 0 256.305 2.409 10 0 CEAERO C[C@@H]1CCC[NH2+][C@@H]1CN1C(=O)CC2(CCCCC2)CC1=O ZINC000071339268 176129451 /nfs/dbraw/zinc/12/94/51/176129451.db2.gz PFRMKNBXTAHDEN-ZIAGYGMSSA-N 1 0 292.423 2.474 10 0 CEAERO C[C@@H]1CCC[NH2+][C@H]1CN1C(=O)CC2(CCCCC2)CC1=O ZINC000071339270 176129484 /nfs/dbraw/zinc/12/94/84/176129484.db2.gz PFRMKNBXTAHDEN-KGLIPLIRSA-N 1 0 292.423 2.474 10 0 CEAERO CC1(C)CN(Cc2ncccn2)[C@H](c2ccccc2)C[NH2+]1 ZINC000071342940 176130476 /nfs/dbraw/zinc/13/04/76/176130476.db2.gz LVXUQYUDILHLTL-HNNXBMFYSA-N 1 0 282.391 2.402 10 0 CEAERO CC[C@H](C)[C@@H]1CNC(C)(C)C[N@@H+]1CCCn1ccnc1 ZINC000071342525 176130654 /nfs/dbraw/zinc/13/06/54/176130654.db2.gz MLJBLLZFAFQSGL-GJZGRUSLSA-N 1 0 278.444 2.372 10 0 CEAERO CC[C@H]1C[N@H+](C[C@@H]2CCOC2)[C@H](c2ccccc2)CN1 ZINC000071344469 176130716 /nfs/dbraw/zinc/13/07/16/176130716.db2.gz FFVDILNLZBOLTM-XIRDDKMYSA-N 1 0 274.408 2.448 10 0 CEAERO CC1(C)C[N@H+](CCCn2ccnc2)[C@@](C)(C2CC2)CN1 ZINC000071343329 176130738 /nfs/dbraw/zinc/13/07/38/176130738.db2.gz BXZIHVNKANPERD-MRXNPFEDSA-N 1 0 276.428 2.126 10 0 CEAERO CCC[C@H]1C[NH2+][C@H](CC(C)C)CN1CCOCCOC ZINC000071350387 176133330 /nfs/dbraw/zinc/13/33/30/176133330.db2.gz YXGZLFGBPQHXJT-CVEARBPZSA-N 1 0 286.460 2.138 10 0 CEAERO CCC[C@@H]1C[NH2+][C@](C)(CC)CN1CCn1ccnc1C ZINC000071356832 176136647 /nfs/dbraw/zinc/13/66/47/176136647.db2.gz XFWLTABULOIXDE-HZPDHXFCSA-N 1 0 278.444 2.434 10 0 CEAERO Cc1nccn1CCN1CC2(CCCCC2)[NH2+]C[C@H]1C ZINC000071359296 176137452 /nfs/dbraw/zinc/13/74/52/176137452.db2.gz XLVKYVDPCDCWMQ-CQSZACIVSA-N 1 0 276.428 2.188 10 0 CEAERO C[C@@H]1CCC[C@@](CO)([NH2+]Cc2cnn3ccccc23)C1 ZINC000071373513 176139186 /nfs/dbraw/zinc/13/91/86/176139186.db2.gz RHXKPJJDJTUWNT-CZUORRHYSA-N 1 0 273.380 2.365 10 0 CEAERO Cc1cc(C)c(CSc2nnc(C[NH3+])n2C)c(C)c1 ZINC000071374150 176140031 /nfs/dbraw/zinc/14/00/31/176140031.db2.gz COLWKVOURCQAED-UHFFFAOYSA-N 1 0 276.409 2.491 10 0 CEAERO COC(=O)c1ccc(NCC[N@H+](C)C2CCCC2)c(N)c1 ZINC000071379951 176144064 /nfs/dbraw/zinc/14/40/64/176144064.db2.gz SJGQAGZONKROFT-UHFFFAOYSA-N 1 0 291.395 2.342 10 0 CEAERO [NH3+]Cc1ccc(OCCn2cccn2)c(C(F)(F)F)c1 ZINC000071398283 176151825 /nfs/dbraw/zinc/15/18/25/176151825.db2.gz OYLAYJQRVHBGNM-UHFFFAOYSA-N 1 0 285.269 2.440 10 0 CEAERO CCCCN(CCO)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000071400753 176153250 /nfs/dbraw/zinc/15/32/50/176153250.db2.gz FAPFDOWVRDFCNR-HNNXBMFYSA-N 1 0 278.396 2.088 10 0 CEAERO [NH3+][C@H](CCC(=O)Nc1nnc(C2CC2)o1)c1ccccc1 ZINC000071401097 176153465 /nfs/dbraw/zinc/15/34/65/176153465.db2.gz SVDYJOWYKCZQRK-GFCCVEGCSA-N 1 0 286.335 2.366 10 0 CEAERO [NH3+][C@@H](CCC(=O)N1CCC[C@H]1CCCO)c1ccccc1 ZINC000071401418 176153565 /nfs/dbraw/zinc/15/35/65/176153565.db2.gz JZNMZPXATSSHFQ-HOTGVXAUSA-N 1 0 290.407 2.230 10 0 CEAERO CNC(=O)[C@@H](C)Oc1ccc(C)cc1C[NH2+]C(C)C ZINC000071406639 176156225 /nfs/dbraw/zinc/15/62/25/176156225.db2.gz NINNMYYCPUYLEI-GFCCVEGCSA-N 1 0 264.369 2.006 10 0 CEAERO CCc1nnc(COc2ccc(C)cc2C[C@@H](C)[NH3+])o1 ZINC000071411657 176157072 /nfs/dbraw/zinc/15/70/72/176157072.db2.gz UEZYLXJDAZGJMZ-LLVKDONJSA-N 1 0 275.352 2.409 10 0 CEAERO Cc1ccc(OCC(=O)NC2CCCC2)c(C[C@@H](C)[NH3+])c1 ZINC000071411863 176157681 /nfs/dbraw/zinc/15/76/81/176157681.db2.gz UZUYXXURJJUQMY-CYBMUJFWSA-N 1 0 290.407 2.322 10 0 CEAERO CC(C)[C@H]([NH3+])[C@H](O)c1cccc(Br)c1 ZINC000071583627 176208402 /nfs/dbraw/zinc/20/84/02/176208402.db2.gz IBEKPCMGHQNIBW-WDEREUQCSA-N 1 0 258.159 2.466 10 0 CEAERO COc1cc(CC2([C@H](C)[NH3+])CC2)cc(OC)c1OC ZINC000071597727 176221332 /nfs/dbraw/zinc/22/13/32/176221332.db2.gz LSWJGLKIANPRHR-JTQLQIEISA-N 1 0 265.353 2.382 10 0 CEAERO [NH3+][C@H](CO)c1ccc(Br)cc1Cl ZINC000072199134 176339878 /nfs/dbraw/zinc/33/98/78/176339878.db2.gz RFVRBZJGTWJDRC-MRVPVSSYSA-N 1 0 250.523 2.095 10 0 CEAERO NC(=O)c1ccccc1Oc1cccc([C@H]2CCC[NH2+]C2)n1 ZINC000072364670 176379800 /nfs/dbraw/zinc/37/98/00/176379800.db2.gz VZESULMAQDIWPI-LBPRGKRZSA-N 1 0 297.358 2.440 10 0 CEAERO CC[C@@H]([NH2+]C)C(=O)N[C@@H](C)c1ccc(F)cc1F ZINC000662345555 415793806 /nfs/dbraw/zinc/79/38/06/415793806.db2.gz JJSBZOHEWJVNLB-QPUJVOFHSA-N 1 0 256.296 2.140 10 0 CEAERO C[NH2+]CC[C@H]1CCN(c2cc(OC)ccc2OC)C1 ZINC000076368792 177006008 /nfs/dbraw/zinc/00/60/08/177006008.db2.gz QZRLYVRFOCLYCO-LBPRGKRZSA-N 1 0 264.369 2.140 10 0 CEAERO COC(=O)c1ccc(Cl)c(N(C)C[C@@H](C)C[NH3+])c1 ZINC000076408780 177019871 /nfs/dbraw/zinc/01/98/71/177019871.db2.gz IDEZXGYQHHVRDM-VIFPVBQESA-N 1 0 270.760 2.158 10 0 CEAERO COc1cc2c(cc1OC)[C@@H](CN1CCCCC1)[NH2+]CC2 ZINC000076533562 177034806 /nfs/dbraw/zinc/03/48/06/177034806.db2.gz VXCJSPPSJYLWMN-OAHLLOKOSA-N 1 0 290.407 2.377 10 0 CEAERO CC[C@@H](C[NH3+])CC(=O)Nc1cc(C)ccc1OC ZINC000076654695 177044369 /nfs/dbraw/zinc/04/43/69/177044369.db2.gz IINRAKKQNUPSSF-LLVKDONJSA-N 1 0 250.342 2.317 10 0 CEAERO CCN(CC)C(=O)[C@@H](CC[NH3+])c1ccc(F)cc1 ZINC000076656589 177045966 /nfs/dbraw/zinc/04/59/66/177045966.db2.gz RUQHPQQJXTZHEV-ZDUSSCGKSA-N 1 0 252.333 2.127 10 0 CEAERO CC[C@@H](C)NC(=O)C[C@H](C[NH3+])c1cccc(F)c1 ZINC000076656645 177046174 /nfs/dbraw/zinc/04/61/74/177046174.db2.gz MZNIVYMNAWMKTK-ZYHUDNBSSA-N 1 0 252.333 2.173 10 0 CEAERO COc1cccc([C@H](CC[NH3+])C(=O)NC(C)(C)C)c1 ZINC000076679947 177058106 /nfs/dbraw/zinc/05/81/06/177058106.db2.gz JHEXLOWEMKRVGR-ZDUSSCGKSA-N 1 0 264.369 2.042 10 0 CEAERO COC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)CC[NH3+])c1 ZINC000076772538 177087323 /nfs/dbraw/zinc/08/73/23/177087323.db2.gz YRWLGZNDZCVCDN-MRVPVSSYSA-N 1 0 284.743 2.050 10 0 CEAERO Cc1cc(Br)cn2cc([C@H](C)[NH3+])nc12 ZINC000076792142 177097062 /nfs/dbraw/zinc/09/70/62/177097062.db2.gz BCXLTUJMVKOAPV-ZETCQYMHSA-N 1 0 254.131 2.425 10 0 CEAERO C[C@@H](CC[NH+](C)C)Nc1nnc(Br)s1 ZINC000077898683 177308797 /nfs/dbraw/zinc/30/87/97/177308797.db2.gz IAXHEUVXGDTMGB-LURJTMIESA-N 1 0 279.207 2.053 10 0 CEAERO CC(C)(C)[NH2+]C[C@@H](O)c1cnn(-c2ccccc2)c1 ZINC000078626111 177361587 /nfs/dbraw/zinc/36/15/87/177361587.db2.gz QJCNWCDROFIEAI-CQSZACIVSA-N 1 0 259.353 2.294 10 0 CEAERO C[C@H](CC[NH3+])CCC(=O)Nc1cccc(-c2nnco2)c1 ZINC000079191675 177442379 /nfs/dbraw/zinc/44/23/79/177442379.db2.gz ZKKIGIXMSMGSHL-NSHDSACASA-N 1 0 288.351 2.440 10 0 CEAERO CC[C@@H](CC[NH3+])CCC(=O)N(CC)C[C@H]1CCOC1 ZINC000079210894 177447351 /nfs/dbraw/zinc/44/73/51/177447351.db2.gz XXQSEZSADJFRFD-ZIAGYGMSSA-N 1 0 270.417 2.027 10 0 CEAERO CC[C@H](CC[NH3+])CCC(=O)NCCc1ccc(O)cc1 ZINC000079211790 177447547 /nfs/dbraw/zinc/44/75/47/177447547.db2.gz GMTNOXCTQOZHQV-ZDUSSCGKSA-N 1 0 278.396 2.206 10 0 CEAERO CC(C)[C@@H](CC[NH3+])CCC(=O)NCc1cscn1 ZINC000079278964 177462497 /nfs/dbraw/zinc/46/24/97/177462497.db2.gz UQQAWDHLXLCYRQ-LLVKDONJSA-N 1 0 269.414 2.161 10 0 CEAERO CC(C)[C@@H](CC[NH3+])CCC(=O)N[C@@H](CO)c1ccccc1 ZINC000079278719 177462584 /nfs/dbraw/zinc/46/25/84/177462584.db2.gz PODMVHAEYGCEFI-ZBFHGGJFSA-N 1 0 292.423 2.237 10 0 CEAERO CCO[C@@H](C[NH3+])CCN1CC[C@@H](C(C)(C)C)CCC1=O ZINC000079281745 177462828 /nfs/dbraw/zinc/46/28/28/177462828.db2.gz DHBZFAMVHIKSKD-UONOGXRCSA-N 1 0 284.444 2.415 10 0 CEAERO CCCCN(CCO)C(=O)CC[C@H](CC[NH3+])C(C)(C)C ZINC000079291051 177465001 /nfs/dbraw/zinc/46/50/01/177465001.db2.gz WSIPZQUZDMMRDP-CQSZACIVSA-N 1 0 286.460 2.399 10 0 CEAERO C[C@H](NC(=O)[C@]1(C)CCC[NH2+]1)c1ccc(F)cc1F ZINC000079513401 177511125 /nfs/dbraw/zinc/51/11/25/177511125.db2.gz KMDATXCBDUMRDH-XPTSAGLGSA-N 1 0 268.307 2.284 10 0 CEAERO C[C@]1(C(=O)N(Cc2cccs2)C2CC2)CCC[NH2+]1 ZINC000079517061 177512810 /nfs/dbraw/zinc/51/28/10/177512810.db2.gz TYKLHOIDKCDOMU-CQSZACIVSA-N 1 0 264.394 2.381 10 0 CEAERO CC(C)Oc1ncccc1NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+] ZINC000079533311 177516992 /nfs/dbraw/zinc/51/69/92/177516992.db2.gz GVZCMNARFHKPTE-WVWOOGAGSA-N 1 0 289.379 2.181 10 0 CEAERO NC(=[NH2+])CCNC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000079778401 177556987 /nfs/dbraw/zinc/55/69/87/177556987.db2.gz IFOOWSZCYGHICT-UHFFFAOYSA-N 1 0 274.246 2.153 10 0 CEAERO CCN(c1ccc(C[NH3+])cc1)S(=O)(=O)CC(C)(C)C ZINC000080185686 177620357 /nfs/dbraw/zinc/62/03/57/177620357.db2.gz FXDMXPSOPVTPFQ-UHFFFAOYSA-N 1 0 284.425 2.348 10 0 CEAERO C[C@@H]1CCCN(c2ccc(C(F)(F)F)nn2)[C@@H]1C[NH3+] ZINC000167117541 287360842 /nfs/dbraw/zinc/36/08/42/287360842.db2.gz MHDQUROUPJDHJR-RKDXNWHRSA-N 1 0 274.290 2.059 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000136327967 419444428 /nfs/dbraw/zinc/44/44/28/419444428.db2.gz RHQBMMBNFBKSLC-AWEZNQCLSA-N 1 0 289.379 2.125 10 0 CEAERO Cc1cc([C@H]2CCCN2C(=O)C[C@@H]([NH3+])C(C)C)on1 ZINC000136401405 419447307 /nfs/dbraw/zinc/44/73/07/419447307.db2.gz MBLRBVKSWLDLCG-VXGBXAGGSA-N 1 0 265.357 2.020 10 0 CEAERO CCN(Cc1ccc(OC)cc1)C(=O)C[C@@H]([NH3+])C(C)C ZINC000136395789 419447654 /nfs/dbraw/zinc/44/76/54/419447654.db2.gz CHDHBZSCHWSURC-OAHLLOKOSA-N 1 0 278.396 2.417 10 0 CEAERO CCNC(=O)C[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000020039542 262226547 /nfs/dbraw/zinc/22/65/47/262226547.db2.gz BODIZCHTGKDSKS-UWJCENJNSA-N 1 0 264.413 2.317 10 0 CEAERO CCc1ccccc1S(=O)(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000186617221 270251118 /nfs/dbraw/zinc/25/11/18/270251118.db2.gz OIWSHPOREDVZCL-CQSZACIVSA-N 1 0 296.436 2.012 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc(Cl)cn1C ZINC000193267212 270283770 /nfs/dbraw/zinc/28/37/70/270283770.db2.gz HEVCAXVVFSAACX-GFCCVEGCSA-N 1 0 285.819 2.385 10 0 CEAERO CC[C@@H]1CCCN(C(=O)N[C@H]2CCC[N@H+](CC)C2)C1 ZINC000194176364 270293679 /nfs/dbraw/zinc/29/36/79/270293679.db2.gz QRDIOXDUXNEWDP-KGLIPLIRSA-N 1 0 267.417 2.302 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)CCc2ccccc2OC)C1 ZINC000194625980 270301526 /nfs/dbraw/zinc/30/15/26/270301526.db2.gz NWHXIQBDJKXKPH-OAHLLOKOSA-N 1 0 290.407 2.228 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)[C@H]([NH3+])C2CCC2)cc1F ZINC000399226587 270367951 /nfs/dbraw/zinc/36/79/51/270367951.db2.gz NFLGORKTYXZJKE-QMTHXVAHSA-N 1 0 264.344 2.439 10 0 CEAERO C[C@H]1CC[C@H](O)C[N@@H+]1CCOc1ccc(F)cc1 ZINC000399334505 270369348 /nfs/dbraw/zinc/36/93/48/270369348.db2.gz ZYDVKWJJJLTZHJ-AAEUAGOBSA-N 1 0 253.317 2.050 10 0 CEAERO C[C@@H]1CCCN(c2ncc(Cl)cc2F)[C@H]1C[NH3+] ZINC000251574709 274292262 /nfs/dbraw/zinc/29/22/62/274292262.db2.gz AUZKHDKMGRCJOM-KCJUWKMLSA-N 1 0 257.740 2.438 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCc2sccc21 ZINC000227180672 274949024 /nfs/dbraw/zinc/94/90/24/274949024.db2.gz HTOPMTCSAVSBNE-UHTWSYAYSA-N 1 0 278.421 2.412 10 0 CEAERO OC[C@@H]1CCC[N@@H+]1C[C@@H]1CCCN1c1ccc(Cl)cn1 ZINC000301713952 275048580 /nfs/dbraw/zinc/04/85/80/275048580.db2.gz JAOOYRKVMNFZDW-KBPBESRZSA-N 1 0 295.814 2.161 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@@H](c2ccncc2)[C@@H]([NH3+])C1 ZINC000096032666 275520287 /nfs/dbraw/zinc/52/02/87/275520287.db2.gz AGHANFLAWQUQJX-STQMWFEESA-N 1 0 277.368 2.133 10 0 CEAERO CC1(C)CN(C(=O)C2=Cc3ccccc3OC2)CC[C@@H]1[NH3+] ZINC000261755836 275835062 /nfs/dbraw/zinc/83/50/62/275835062.db2.gz FNFAKYIEVIFCDH-HNNXBMFYSA-N 1 0 286.375 2.048 10 0 CEAERO CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@H](C)N1CCOCC1 ZINC000248424761 275912341 /nfs/dbraw/zinc/91/23/41/275912341.db2.gz ITMHHWAFVDIMIM-HRCADAONSA-N 1 0 266.429 2.289 10 0 CEAERO CC1CCC(C[NH2+]C[C@@H]2CCCCS2(=O)=O)CC1 ZINC000344327261 275928651 /nfs/dbraw/zinc/92/86/51/275928651.db2.gz OXSYXMUVXBYYKT-RUXDESIVSA-N 1 0 273.442 2.370 10 0 CEAERO CCCN(c1nc(C(F)(F)F)ns1)[C@@H]1CC[NH2+]C1 ZINC000228789667 276003402 /nfs/dbraw/zinc/00/34/02/276003402.db2.gz CACRWSUZNZJIST-SSDOTTSWSA-N 1 0 280.319 2.135 10 0 CEAERO CCC[C@H](C(=O)N(C)Cc1ccc(O)cc1)[NH+](C)C ZINC000135899081 276037201 /nfs/dbraw/zinc/03/72/01/276037201.db2.gz JWPSHVUGLACQPK-CQSZACIVSA-N 1 0 264.369 2.081 10 0 CEAERO CCC[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccccn1 ZINC000180588542 276045489 /nfs/dbraw/zinc/04/54/89/276045489.db2.gz CWHNIJHCEMSWAY-JSGCOSHPSA-N 1 0 271.368 2.119 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1csnc1C ZINC000182104869 276182429 /nfs/dbraw/zinc/18/24/29/276182429.db2.gz MWOKRDMWMXNZFX-NSHDSACASA-N 1 0 267.398 2.008 10 0 CEAERO CCC[C@@H](C(=O)Nc1nc(C)c(C)s1)[NH+](C)C ZINC000179329242 276269277 /nfs/dbraw/zinc/26/92/77/276269277.db2.gz ADVJPBKWLJXKLR-JTQLQIEISA-N 1 0 255.387 2.429 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H]1CCCc2cc(N)ccc21 ZINC000263157609 276560293 /nfs/dbraw/zinc/56/02/93/276560293.db2.gz XXPDOVCOWODCNP-COLVAYQJSA-N 1 0 275.396 2.136 10 0 CEAERO CC[C@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089463042 276608722 /nfs/dbraw/zinc/60/87/22/276608722.db2.gz QEJILQUSNFAIJU-BFHYXJOUSA-N 1 0 252.402 2.400 10 0 CEAERO CN1CCO[C@H](C[NH2+][C@@H]2CCc3c2cccc3Cl)C1 ZINC000153039147 277128034 /nfs/dbraw/zinc/12/80/34/277128034.db2.gz BYFMXRXMBVOZST-IAQYHMDHSA-N 1 0 280.799 2.248 10 0 CEAERO CC(C)(C)C1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000050348596 277134981 /nfs/dbraw/zinc/13/49/81/277134981.db2.gz JBWVWJSQKODZEB-LBPRGKRZSA-N 1 0 252.402 2.271 10 0 CEAERO CC(C)(C)OC(=O)CC[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000065611558 277176190 /nfs/dbraw/zinc/17/61/90/277176190.db2.gz ZSXNFZFSCUGYIM-CHWSQXEVSA-N 1 0 269.385 2.362 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@@]2(CC[C@H](C[NH3+])C2)C1 ZINC000095084640 277192338 /nfs/dbraw/zinc/19/23/38/277192338.db2.gz CJMRYBSIKXAGFU-SMDDNHRTSA-N 1 0 254.374 2.372 10 0 CEAERO CC(C)(C)c1ncsc1C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000157757025 277277584 /nfs/dbraw/zinc/27/75/84/277277584.db2.gz FLOPYEKYJCGLRC-NXEZZACHSA-N 1 0 281.425 2.298 10 0 CEAERO CC(C)(C)c1ncsc1C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000157757487 277277757 /nfs/dbraw/zinc/27/77/57/277277757.db2.gz FLOPYEKYJCGLRC-UWVGGRQHSA-N 1 0 281.425 2.298 10 0 CEAERO CC(C)CC1(CNC(=O)C2(C[NH3+])CCOCC2)CCCC1 ZINC000094875313 277348371 /nfs/dbraw/zinc/34/83/71/277348371.db2.gz BYFOQSAAOXWMRF-UHFFFAOYSA-N 1 0 296.455 2.465 10 0 CEAERO CC(C)CC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000038042658 277353771 /nfs/dbraw/zinc/35/37/71/277353771.db2.gz JOANQSJPESLOFZ-CQSZACIVSA-N 1 0 268.401 2.046 10 0 CEAERO C[C@@H](NC(=O)[C@H]1[NH2+]CCCC1(C)C)C1CCCC1 ZINC000235174881 277612137 /nfs/dbraw/zinc/61/21/37/277612137.db2.gz SWXFWKNRKYKFRT-DGCLKSJQSA-N 1 0 252.402 2.460 10 0 CEAERO CC(C)[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000232717937 277779155 /nfs/dbraw/zinc/77/91/55/277779155.db2.gz BDINSAZQUANWHN-XJFOESAGSA-N 1 0 252.402 2.173 10 0 CEAERO CC(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000335282026 277838154 /nfs/dbraw/zinc/83/81/54/277838154.db2.gz PZMRXKRKWIBNJW-GJZGRUSLSA-N 1 0 294.439 2.040 10 0 CEAERO CC(=O)N1CC[N@H+](C[C@H]2CCCC2(F)F)C(C)(C)C1 ZINC000336264064 278041732 /nfs/dbraw/zinc/04/17/32/278041732.db2.gz NNWNZNBFYJQKQA-GFCCVEGCSA-N 1 0 274.355 2.365 10 0 CEAERO CC1(C)C(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)C1(C)C ZINC000261569194 278181637 /nfs/dbraw/zinc/18/16/37/278181637.db2.gz JPRAHKANCUZRKZ-JTQLQIEISA-N 1 0 252.402 2.254 10 0 CEAERO C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000134104553 278229279 /nfs/dbraw/zinc/22/92/79/278229279.db2.gz BDDFRDOFHQBHPZ-AATLWQCWSA-N 1 0 266.307 2.207 10 0 CEAERO CC1(C)CN(C(=O)c2c(F)cccc2F)CC[C@@H]1[NH3+] ZINC000261586742 278319538 /nfs/dbraw/zinc/31/95/38/278319538.db2.gz JASHTMNYQKMIPQ-NSHDSACASA-N 1 0 268.307 2.164 10 0 CEAERO CC1(C)C[N@H+](CCC2(O)CC2)CC2(CCCC2)O1 ZINC000335880849 278330943 /nfs/dbraw/zinc/33/09/43/278330943.db2.gz FNPSMOFBYYXQRI-UHFFFAOYSA-N 1 0 253.386 2.325 10 0 CEAERO C[C@@H]1CC(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C[C@@H](C)C1 ZINC000089482132 278447114 /nfs/dbraw/zinc/44/71/14/278447114.db2.gz IIDKXYQOKZOXRK-CIQGVGRVSA-N 1 0 252.402 2.302 10 0 CEAERO C[C@@H]1CCN(c2ncc(Cl)cc2F)[C@H](C[NH3+])C1 ZINC000261544113 278559400 /nfs/dbraw/zinc/55/94/00/278559400.db2.gz 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279059181 /nfs/dbraw/zinc/05/91/81/279059181.db2.gz PEOHTQXBKRMOCR-UHFFFAOYSA-N 1 0 282.428 2.482 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1Cc1ccccc1Br ZINC000261535307 279086259 /nfs/dbraw/zinc/08/62/59/279086259.db2.gz OBOUMNZFGSIWDC-SKDRFNHKSA-N 1 0 269.186 2.371 10 0 CEAERO CC(C)C[C@H](C)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000184790533 279086835 /nfs/dbraw/zinc/08/68/35/279086835.db2.gz UTWKAVUZQQZQBK-BFHYXJOUSA-N 1 0 252.402 2.364 10 0 CEAERO CC(C)C[C@H](C)NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246446313 279108038 /nfs/dbraw/zinc/10/80/38/279108038.db2.gz CIVFNLRCAMFCHV-MJBXVCDLSA-N 1 0 267.417 2.299 10 0 CEAERO CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1CCO[C@@H]1c1ccccc1 ZINC000236722510 279177745 /nfs/dbraw/zinc/17/77/45/279177745.db2.gz SJMLMXLDJWADCC-RRFJBIMHSA-N 1 0 276.380 2.006 10 0 CEAERO CC[NH+]1CCC(NC2CCCCCC2)(C(=O)OC)CC1 ZINC000037972580 279261527 /nfs/dbraw/zinc/26/15/27/279261527.db2.gz YTYPWOXVYCKVQU-UHFFFAOYSA-N 1 0 282.428 2.326 10 0 CEAERO C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000282381878 279378721 /nfs/dbraw/zinc/37/87/21/279378721.db2.gz OLGCYPSTNRSLLU-UHIISALHSA-N 1 0 264.344 2.013 10 0 CEAERO CC[NH2+][C@H](C)CNC(=O)[C@H]1CCCO[C@H]1c1ccccc1 ZINC000262422250 279516012 /nfs/dbraw/zinc/51/60/12/279516012.db2.gz BMJBLDFVNRPCEK-KBMXLJTQSA-N 1 0 290.407 2.269 10 0 CEAERO C[C@H]([NH2+][C@H](C(=O)NC1CC1)c1ccccc1)[C@H]1CCCO1 ZINC000183180908 279529562 /nfs/dbraw/zinc/52/95/62/279529562.db2.gz FJYVZPNMWNRCBD-MAZHCROVSA-N 1 0 288.391 2.163 10 0 CEAERO [NH3+]C[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000246574618 279639462 /nfs/dbraw/zinc/63/94/62/279639462.db2.gz VEVUJDBWIKSTCE-AXFHLTTASA-N 1 0 280.318 2.018 10 0 CEAERO C[C@H]1CN(Cc2ccccc2C(F)(F)F)C[C@H]1[NH3+] ZINC000261548792 279870971 /nfs/dbraw/zinc/87/09/71/279870971.db2.gz DYIIGBQAFWVBLV-JOYOIKCWSA-N 1 0 258.287 2.484 10 0 CEAERO O=C(Nc1nc2c(s1)C[NH2+]CC2)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000252514911 280058090 /nfs/dbraw/zinc/05/80/90/280058090.db2.gz 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/nfs/dbraw/zinc/25/26/64/280252664.db2.gz GNLHFYFFOIPNIL-JMSVASOKSA-N 1 0 281.421 2.333 10 0 CEAERO Cc1[nH]c2ccccc2c1C(=O)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000246324705 280287511 /nfs/dbraw/zinc/28/75/11/280287511.db2.gz KRJWCNFLYBQAEY-AWEZNQCLSA-N 1 0 297.402 2.439 10 0 CEAERO CC[C@@H]1CN(C(=O)C(C)(C)CC(C)C)CC[N@@H+]1C[C@H](C)O ZINC000246394352 280291141 /nfs/dbraw/zinc/29/11/41/280291141.db2.gz KGISXDBQBDSICF-LSDHHAIUSA-N 1 0 298.471 2.362 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N(C)CCC2CC2)C1 ZINC000246513598 280298326 /nfs/dbraw/zinc/29/83/26/280298326.db2.gz UGZCBDBDCGBGNF-TZMCWYRMSA-N 1 0 267.417 2.157 10 0 CEAERO Cc1cc(Br)cnc1N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261554163 280312070 /nfs/dbraw/zinc/31/20/70/280312070.db2.gz OPEFVINWJLSKHU-CMPLNLGQSA-N 1 0 296.212 2.341 10 0 CEAERO COCC[N@@H+]1CCN([C@H](C)c2cccc(OC)c2)C[C@@H]1C ZINC000247022963 280318108 /nfs/dbraw/zinc/31/81/08/280318108.db2.gz MIORRGKMWYPOKP-LSDHHAIUSA-N 1 0 292.423 2.409 10 0 CEAERO COCC[N@@H+]1CCN([C@H](C)c2cccc(OC)c2)C[C@H]1C ZINC000247022949 280318154 /nfs/dbraw/zinc/31/81/54/280318154.db2.gz MIORRGKMWYPOKP-HUUCEWRRSA-N 1 0 292.423 2.409 10 0 CEAERO CC[C@H]1CN(C(=O)CCC2CCCC2)CC[N@@H+]1C[C@H](C)O ZINC000247036074 280318546 /nfs/dbraw/zinc/31/85/46/280318546.db2.gz XRMKWEZOXZUNKZ-HOCLYGCPSA-N 1 0 296.455 2.260 10 0 CEAERO CCCCOC[C@H](O)C[N@H+](C)[C@H](C)c1ccncc1 ZINC000248650306 280357459 /nfs/dbraw/zinc/35/74/59/280357459.db2.gz LYYCQGMQFHAGKB-UKRRQHHQSA-N 1 0 266.385 2.252 10 0 CEAERO CCC1(CC)[C@H]([NH2+]Cc2nnnn2C(C)C)[C@@H](C)[C@H]1OC ZINC000248855007 280369308 /nfs/dbraw/zinc/36/93/08/280369308.db2.gz VSVQUZOHDBESQB-MRVWCRGKSA-N 1 0 295.431 2.183 10 0 CEAERO CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CCCNC(=O)[C@H]1C ZINC000249064562 280382355 /nfs/dbraw/zinc/38/23/55/280382355.db2.gz QCIVYXWIMMFCPO-MJBXVCDLSA-N 1 0 250.386 2.189 10 0 CEAERO C[C@@H]1CCC[C@@H](NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000249113546 280384981 /nfs/dbraw/zinc/38/49/81/280384981.db2.gz RVNMIJULBXMGLJ-KFWWJZLASA-N 1 0 279.428 2.445 10 0 CEAERO Cc1cc(Cl)ccc1C(=O)N1CCC[C@H]1C[NH3+] ZINC000235744660 280505704 /nfs/dbraw/zinc/50/57/04/280505704.db2.gz WPYFFEGQZGTHBQ-NSHDSACASA-N 1 0 252.745 2.212 10 0 CEAERO CCC[C@H]([NH2+]C[C@H]1CN(C)CCO1)[C@H]1CC1(C)C ZINC000397748160 280683123 /nfs/dbraw/zinc/68/31/23/280683123.db2.gz BJVDBWXZUAEPQH-MJBXVCDLSA-N 1 0 254.418 2.121 10 0 CEAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C[C@H]1CCSC1 ZINC000300271120 288299195 /nfs/dbraw/zinc/29/91/95/288299195.db2.gz PVIGQWARCYNHIN-MCIONIFRSA-N 1 0 254.443 2.298 10 0 CEAERO Cc1ccc2oc(C(=O)N3C[C@@H]4CCC[N@H+]4C[C@H]3C)cc2n1 ZINC000247100942 281178846 /nfs/dbraw/zinc/17/88/46/281178846.db2.gz IKUVAEZRWFXESV-OLZOCXBDSA-N 1 0 299.374 2.445 10 0 CEAERO Cc1cccc(C)c1OCCN1CCCC[C@H]1C[NH3+] ZINC000262053018 281212604 /nfs/dbraw/zinc/21/26/04/281212604.db2.gz ILHKSJSIVDJRSY-HNNXBMFYSA-N 1 0 262.397 2.495 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC(C)(C)CC(C)=O ZINC000249100513 288315321 /nfs/dbraw/zinc/31/53/21/288315321.db2.gz WCRBYOQRDIWDFD-GJZGRUSLSA-N 1 0 294.439 2.467 10 0 CEAERO C[C@@H]1CO[C@@H](C)CN1CC[N@H+](C)Cc1ccc(F)cc1 ZINC000186502282 288383563 /nfs/dbraw/zinc/38/35/63/288383563.db2.gz XCURFOLVNOAAHF-KGLIPLIRSA-N 1 0 280.387 2.367 10 0 CEAERO CCSCC[C@H](C)NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000157049519 289206799 /nfs/dbraw/zinc/20/67/99/289206799.db2.gz PFQFMBSCQPUJTL-SRVKXCTJSA-N 1 0 258.431 2.152 10 0 CEAERO C[NH+](C)C[C@H]1CN(CC(C)(C)c2ccccc2)CCO1 ZINC000183399510 289218019 /nfs/dbraw/zinc/21/80/19/289218019.db2.gz OXLIBHRDODURBO-INIZCTEOSA-N 1 0 276.424 2.227 10 0 CEAERO CCC[C@H]([NH2+]C[C@@H](C)N1CCOCC1)c1ccccn1 ZINC000158557288 289236474 /nfs/dbraw/zinc/23/64/74/289236474.db2.gz GYDDRFSCYJGEHL-CABCVRRESA-N 1 0 277.412 2.233 10 0 CEAERO Fc1ccc(Cl)c(CN2CC[C@H]3OCC[NH2+][C@@H]3C2)c1 ZINC000404280007 289292486 /nfs/dbraw/zinc/29/24/86/289292486.db2.gz VBPWEHKDRAGOEC-ZIAGYGMSSA-N 1 0 284.762 2.042 10 0 CEAERO CN(CC(C)(C)C)C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000334965351 289501277 /nfs/dbraw/zinc/50/12/77/289501277.db2.gz BGLVXVKQGBNVJG-LLVKDONJSA-N 1 0 255.406 2.144 10 0 CEAERO C[C@H](O)C[N@@H+]1CCN([C@@H](C)c2ccc(F)cc2F)C[C@@H]1C ZINC000247579888 290116438 /nfs/dbraw/zinc/11/64/38/290116438.db2.gz IIAVBNNHZNYDOR-AVGNSLFASA-N 1 0 298.377 2.413 10 0 CEAERO COc1cccc(CN2CC[C@@H](C)C[C@H]2C[NH3+])c1OC ZINC000261644436 295297455 /nfs/dbraw/zinc/29/74/55/295297455.db2.gz MZJPDTPTYQMPPA-OCCSQVGLSA-N 1 0 278.396 2.263 10 0 CEAERO C[C@@H]([NH3+])[C@@](O)(c1occc1Br)C(F)(F)F ZINC000068980844 525013747 /nfs/dbraw/zinc/01/37/47/525013747.db2.gz PKLKLBWYBZUVPU-CLZZGJSISA-N 1 0 288.063 2.139 10 0 CEAERO C[C@H](C(=O)NC1CCC(C(F)(F)F)CC1)C1C[NH2+]C1 ZINC000164080410 298142212 /nfs/dbraw/zinc/14/22/12/298142212.db2.gz NHVSEDFZKQTTIX-PUSIOWJLSA-N 1 0 278.318 2.079 10 0 CEAERO C[C@H](C[NH3+])C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000044797512 298521631 /nfs/dbraw/zinc/52/16/31/298521631.db2.gz LSTCDNFBIHHFGW-JDDJGOSBSA-N 1 0 264.413 2.302 10 0 CEAERO C[C@H]1CN(C(=O)C2(c3ccccc3)CCCC2)C[C@H]1[NH3+] ZINC000335483048 300115348 /nfs/dbraw/zinc/11/53/48/300115348.db2.gz IYRMEKRSQGBOGH-DZGCQCFKSA-N 1 0 272.392 2.304 10 0 CEAERO C[C@H]1C[N@H+](CCC(C)(F)F)CC2(CCOCC2)O1 ZINC000334620394 300253852 /nfs/dbraw/zinc/25/38/52/300253852.db2.gz MXXYVGNDYMIPLO-NSHDSACASA-N 1 0 263.328 2.302 10 0 CEAERO Cc1cc(C)n([C@H](C)CC(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])n1 ZINC000261797626 301253998 /nfs/dbraw/zinc/25/39/98/301253998.db2.gz MJCWJISUEJAOEJ-KCPJHIHWSA-N 1 0 292.427 2.037 10 0 CEAERO Cc1ccc([C@@H]2OCCC[C@H]2C(=O)NCC(C)(C)[NH3+])cc1 ZINC000262596522 301771895 /nfs/dbraw/zinc/77/18/95/301771895.db2.gz KZZCLCWASVUCRO-CABCVRRESA-N 1 0 290.407 2.316 10 0 CEAERO FC(F)(F)c1ccc(N2CC[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC000575974582 314228294 /nfs/dbraw/zinc/22/82/94/314228294.db2.gz SCKGFOXALPBTFE-LBPRGKRZSA-N 1 0 286.301 2.075 10 0 CEAERO CC(C)C(CNC(=O)N1CC[C@H]([NH+](C)C)C1)C(C)C ZINC000194369825 321809606 /nfs/dbraw/zinc/80/96/06/321809606.db2.gz MKUCBLJYZBTCMV-ZDUSSCGKSA-N 1 0 269.433 2.260 10 0 CEAERO COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000392873823 329059644 /nfs/dbraw/zinc/05/96/44/329059644.db2.gz FOUQFAASTYABNO-SGMGOOAPSA-N 1 0 276.380 2.321 10 0 CEAERO CC(C)C[C@@H]1CCCN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000397004485 329319165 /nfs/dbraw/zinc/31/91/65/329319165.db2.gz RBNFHWAIGMXDPI-KBPBESRZSA-N 1 0 252.402 2.413 10 0 CEAERO CC(C)(C)OC(=O)N1Cc2ccccc2[C@H]2C[NH2+]C[C@H]21 ZINC000238111768 333183063 /nfs/dbraw/zinc/18/30/63/333183063.db2.gz CCFNXAQBRRJDFV-ZIAGYGMSSA-N 1 0 274.364 2.493 10 0 CEAERO CC(C)N(CC(F)F)C(=O)c1ccc(C[NH3+])cc1 ZINC000186471222 519639287 /nfs/dbraw/zinc/63/92/87/519639287.db2.gz BESMNQVTDQUWTF-UHFFFAOYSA-N 1 0 256.296 2.261 10 0 CEAERO CC(C)N(Cc1ccnc(C(N)=[NH2+])c1)CC(F)(F)F ZINC000068761698 519662300 /nfs/dbraw/zinc/66/23/00/519662300.db2.gz CENTZQUBSHFQBF-UHFFFAOYSA-N 1 0 274.290 2.138 10 0 CEAERO CC(C)[NH2+]Cc1cnn([C@@H]2CCCCC[C@H]2O)c1 ZINC000054600477 519728632 /nfs/dbraw/zinc/72/86/32/519728632.db2.gz GNAHTGWYYAWMFW-ZIAGYGMSSA-N 1 0 251.374 2.247 10 0 CEAERO CC(C)N[C@@](C)(C[C@H](C)[N@@H+]1CCCC(C)(C)C1)C(N)=O ZINC000068647855 519736523 /nfs/dbraw/zinc/73/65/23/519736523.db2.gz TXRZKQPRQQIICA-BBRMVZONSA-N 1 0 283.460 2.129 10 0 CEAERO CC(C)C[NH2+]C[C@H](C(C)C)N(C)C[C@@H]1CCCO1 ZINC000052540788 519745508 /nfs/dbraw/zinc/74/55/08/519745508.db2.gz MTWLTGQGDOUJMH-LSDHHAIUSA-N 1 0 256.434 2.367 10 0 CEAERO CCC[NH+]1CCC(O)([C@@H](C(=O)OCC)C(C)C)CC1 ZINC000052254641 519847779 /nfs/dbraw/zinc/84/77/79/519847779.db2.gz RZVOIQLTXARENR-CYBMUJFWSA-N 1 0 271.401 2.059 10 0 CEAERO CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2[C@@H](CC(C)C)C(=O)OC ZINC000054629288 519911224 /nfs/dbraw/zinc/91/12/24/519911224.db2.gz MNDRSRBKCCSKBH-DKUMPPAJSA-N 1 0 282.428 2.179 10 0 CEAERO CC[NH2+]CCC(=O)N[C@H](C)c1cc(F)ccc1F ZINC000061290424 519917460 /nfs/dbraw/zinc/91/74/60/519917460.db2.gz ORUZGQONQZRDGR-SECBINFHSA-N 1 0 256.296 2.142 10 0 CEAERO CC[NH2+]C[C@@H](C)c1c(C)nc(N2CCCC2)nc1C ZINC000054854840 519945116 /nfs/dbraw/zinc/94/51/16/519945116.db2.gz DDUAUHWPPSRSKC-LLVKDONJSA-N 1 0 262.401 2.407 10 0 CEAERO CCC[NH2+]Cc1ccoc1CN1C[C@@H](C)O[C@H](C)C1 ZINC000052380290 519959231 /nfs/dbraw/zinc/95/92/31/519959231.db2.gz OFSFYJHELDVIDD-CHWSQXEVSA-N 1 0 266.385 2.388 10 0 CEAERO CCC[NH2+]Cc1nnnn1[C@@H]1CCCC[C@@H]1CC ZINC000054748035 519972434 /nfs/dbraw/zinc/97/24/34/519972434.db2.gz QLVMZRISDSJSDO-NWDGAFQWSA-N 1 0 251.378 2.314 10 0 CEAERO CC[NH2+]C[C@H]1OCCN(C)[C@@H]1c1ccccc1CC ZINC000070285058 519981555 /nfs/dbraw/zinc/98/15/55/519981555.db2.gz YRRVRDRKYVCIAF-HZPDHXFCSA-N 1 0 262.397 2.230 10 0 CEAERO CCC[NH2+][C@@H]1CCN([C@@H](C)Cc2ccccc2)C1=O ZINC000062187440 520022744 /nfs/dbraw/zinc/02/27/44/520022744.db2.gz MMCFQMQRBWWOKE-DZGCQCFKSA-N 1 0 260.381 2.218 10 0 CEAERO CCC[NH2+][C@@H]1CCC[C@H]1S(=O)(=O)c1ccccc1 ZINC000061702880 520023390 /nfs/dbraw/zinc/02/33/90/520023390.db2.gz YKWHKASWZBPRCJ-ZIAGYGMSSA-N 1 0 267.394 2.381 10 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CBFBRUHMTQLBEQ-XJKSGUPXSA-N 1 0 283.460 2.273 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N(C)c1ccc(OC)cc1 ZINC000061274529 520163335 /nfs/dbraw/zinc/16/33/35/520163335.db2.gz YLQDBKASYWZVMR-LLVKDONJSA-N 1 0 250.342 2.046 10 0 CEAERO CC[NH2+][C@H](C)c1cnc(Cc2cccnc2)nc1C ZINC000054963019 520180630 /nfs/dbraw/zinc/18/06/30/520180630.db2.gz IMQSCROPWRBJHR-LLVKDONJSA-N 1 0 256.353 2.441 10 0 CEAERO CC[NH2+][C@H](CCOc1cc(C(C)C)ccc1C)C(N)=O ZINC000062539043 520191463 /nfs/dbraw/zinc/19/14/63/520191463.db2.gz XHZJNXOPPOEMKW-CQSZACIVSA-N 1 0 278.396 2.351 10 0 CEAERO CCCC[N@H+](C)C[C@@](NC(C)C)(C(=O)OC)C1CC1 ZINC000069088921 520415468 /nfs/dbraw/zinc/41/54/68/520415468.db2.gz XXZBBKKHKMTIIK-HNNXBMFYSA-N 1 0 270.417 2.038 10 0 CEAERO CCCC[N@H+](CC)C[C@@](NC)(C(=O)OCC)C1CC1 ZINC000069090273 520478608 /nfs/dbraw/zinc/47/86/08/520478608.db2.gz AUNXMVAXHMNURZ-HNNXBMFYSA-N 1 0 270.417 2.040 10 0 CEAERO CCN(CC)CC[NH2+][C@]1(CO)CCC[C@@H](C(F)(F)F)C1 ZINC000069387523 520690370 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ZINC000069099262 521340931 /nfs/dbraw/zinc/34/09/31/521340931.db2.gz MYLQCICXXQRIKH-MRXNPFEDSA-N 1 0 282.428 2.182 10 0 CEAERO CC[NH+]1CCC(O)(Cc2ccc(F)cc2F)CC1 ZINC000050885535 521583547 /nfs/dbraw/zinc/58/35/47/521583547.db2.gz RFOMMRBHAMLLNY-UHFFFAOYSA-N 1 0 255.308 2.354 10 0 CEAERO CCC[N@H+](CC[C@@H](NC1CC1)C(=O)OCC)C(C)C ZINC000062446658 521670488 /nfs/dbraw/zinc/67/04/88/521670488.db2.gz XSVOABTVWHCFIS-CQSZACIVSA-N 1 0 270.417 2.181 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N(Cc1cccs1)C(C)C ZINC000061318829 521933010 /nfs/dbraw/zinc/93/30/10/521933010.db2.gz WATZOAWQWVBHSY-UHFFFAOYSA-N 1 0 254.399 2.483 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N[C@H](C)c1cc(F)ccc1F ZINC000061300678 521938662 /nfs/dbraw/zinc/93/86/62/521938662.db2.gz PCWZFWABZGOWFC-MRVPVSSYSA-N 1 0 256.296 2.140 10 0 CEAERO C[NH2+]CCCCn1nc(C)c(Br)c1C ZINC000052573568 521993298 /nfs/dbraw/zinc/99/32/98/521993298.db2.gz PXWJMUCPCLZKBJ-UHFFFAOYSA-N 1 0 260.179 2.262 10 0 CEAERO CC[C@@H](C)CNS(=O)(=O)c1cccc([C@H]([NH3+])CC)c1 ZINC000054489166 521997214 /nfs/dbraw/zinc/99/72/14/521997214.db2.gz ZBZGZIBJVLHVBZ-BXUZGUMPSA-N 1 0 284.425 2.421 10 0 CEAERO C[NH2+]CCc1nnc(Cc2c(F)cccc2Cl)o1 ZINC000050619610 522022908 /nfs/dbraw/zinc/02/29/08/522022908.db2.gz OGJHOFYGZDCEAN-UHFFFAOYSA-N 1 0 269.707 2.215 10 0 CEAERO C[NH2+]C[C@@H](C)CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000052443451 522030225 /nfs/dbraw/zinc/03/02/25/522030225.db2.gz VYEIBCXXHKYXEY-CYBMUJFWSA-N 1 0 281.831 2.318 10 0 CEAERO C[NH2+]C[C@@H]1CC[C@H](COc2ccc3c(c2)CCC3)O1 ZINC000052693528 522060703 /nfs/dbraw/zinc/06/07/03/522060703.db2.gz FYVKTMGFCSEJKP-JKSUJKDBSA-N 1 0 261.365 2.321 10 0 CEAERO COC[C@@H](C)N(C)[C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062710892 522218776 /nfs/dbraw/zinc/21/87/76/522218776.db2.gz HSOYFVKTWZSCNS-PELKAZGASA-N 1 0 276.302 2.070 10 0 CEAERO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccccc1[C@H](C)O ZINC000049547199 522369332 /nfs/dbraw/zinc/36/93/32/522369332.db2.gz BIXKEZSHUJBKNF-NRUUGDAUSA-N 1 0 250.342 2.052 10 0 CEAERO Cc1ccc(C[NH+](C)C)cc1NC(=O)C[C@@H](O)C(C)C ZINC000161940698 533867198 /nfs/dbraw/zinc/86/71/98/533867198.db2.gz CAOFDSTVYHUIKO-OAHLLOKOSA-N 1 0 278.396 2.402 10 0 CEAERO CCN(C(=O)c1occc1C)[C@H]1CCC[C@H]1C[NH3+] ZINC000089114699 517630223 /nfs/dbraw/zinc/63/02/23/517630223.db2.gz IGCDATGNLCWAIU-RYUDHWBXSA-N 1 0 250.342 2.178 10 0 CEAERO CC(C)(C)NC(=O)[C@H](C[NH3+])Cc1cc2ccccc2o1 ZINC000068811056 518748003 /nfs/dbraw/zinc/74/80/03/518748003.db2.gz NEBNGZLFWNHMRQ-LBPRGKRZSA-N 1 0 274.364 2.465 10 0 CEAERO CC(C)(C)[NH2+]C[C@H]1CC[C@@H](Cn2cc(Cl)cn2)O1 ZINC000052577288 518763122 /nfs/dbraw/zinc/76/31/22/518763122.db2.gz GJKMQEUBZMCUCX-NEPJUHHUSA-N 1 0 271.792 2.472 10 0 CEAERO CC(C)(C)[NH2+]Cc1cccc(O[C@@H]2CCOC2=O)c1 ZINC000062731334 518765966 /nfs/dbraw/zinc/76/59/66/518765966.db2.gz JGOZOHKVRGWBFX-CYBMUJFWSA-N 1 0 263.337 2.269 10 0 CEAERO CC(C)C[C@@H]([NH3+])[C@H](O)c1ccc2c(c1)OCCCO2 ZINC000054929360 519225719 /nfs/dbraw/zinc/22/57/19/519225719.db2.gz IISYFEAEAPHJIO-IUODEOHRSA-N 1 0 265.353 2.255 10 0 CEAERO CC(C)Cn1ccnc(Oc2ccc(C[NH3+])cc2)c1=O ZINC000061770613 519520415 /nfs/dbraw/zinc/52/04/15/519520415.db2.gz KNQWWKUOKFGEQG-UHFFFAOYSA-N 1 0 273.336 2.150 10 0 CEAERO CC(C)N(CCCO)c1ccc(C(N)=[NH2+])cc1Cl ZINC000062794223 519644736 /nfs/dbraw/zinc/64/47/36/519644736.db2.gz QHIQKAOHIWUZNA-UHFFFAOYSA-N 1 0 269.776 2.221 10 0 CEAERO CC(C)CCNC(=O)[C@@H](C)[NH2+][C@H](CC(C)C)CN(C)C ZINC000049555870 519659012 /nfs/dbraw/zinc/65/90/12/519659012.db2.gz VINVOPJPYFQBRQ-HUUCEWRRSA-N 1 0 285.476 2.103 10 0 CEAERO CC(C)CCOCCC[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000045478651 519665570 /nfs/dbraw/zinc/66/55/70/519665570.db2.gz SNNZYWHAFKJVKG-CQSZACIVSA-N 1 0 258.406 2.071 10 0 CEAERO CC(C)CC[C@H](C)n1nnnc1C[NH2+]CC(C)C ZINC000069236237 519691808 /nfs/dbraw/zinc/69/18/08/519691808.db2.gz RUBWWLCYMWLTMU-LBPRGKRZSA-N 1 0 253.394 2.416 10 0 CEAERO CC(C)NC(=O)COc1ccccc1C[NH2+]C(C)(C)C ZINC000062729213 519709015 /nfs/dbraw/zinc/70/90/15/519709015.db2.gz IFXBEEVWVNRCHK-UHFFFAOYSA-N 1 0 278.396 2.478 10 0 CEAERO CC(C)C[NH+](CC(C)C)[C@H](C)C[C@@](C)(NC1CC1)C(N)=O ZINC000068629007 519713632 /nfs/dbraw/zinc/71/36/32/519713632.db2.gz OMCCDBCMZBNSKU-RHSMWYFYSA-N 1 0 297.487 2.375 10 0 CEAERO CC(C)CN(CC[NH+](C)C)[C@H](C[NH3+])CCc1ccccc1 ZINC000061625066 519716941 /nfs/dbraw/zinc/71/69/41/519716941.db2.gz GDXZFDZCYNBHNN-SFHVURJKSA-N 1 0 291.483 2.466 10 0 CEAERO CC(C)C[N@H+](Cc1cccnc1C(N)=S)C1CC1 ZINC000061659940 519718562 /nfs/dbraw/zinc/71/85/62/519718562.db2.gz HIKOESLVTYEEIK-UHFFFAOYSA-N 1 0 263.410 2.336 10 0 CEAERO CC(C)[NH2+]CCNS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000054266884 519721859 /nfs/dbraw/zinc/72/18/59/519721859.db2.gz RLZQOONJOLOPQU-UHFFFAOYSA-N 1 0 284.425 2.086 10 0 CEAERO CC(C)C[NH+]1CCN(Cc2ccc3c(c2)CCN3)CC1 ZINC000055083707 519726960 /nfs/dbraw/zinc/72/69/60/519726960.db2.gz ARPANPNBEIQOHG-UHFFFAOYSA-N 1 0 273.424 2.428 10 0 CEAERO CC(C)C[NH+]1CCN([C@@H]2CCc3ccccc3[C@@H]2O)CC1 ZINC000055080760 519728105 /nfs/dbraw/zinc/72/81/05/519728105.db2.gz OYMBEJYFHGKIRS-MSOLQXFVSA-N 1 0 288.435 2.308 10 0 CEAERO CC(C)[NH2+]Cc1occc1CN1CCOCC1(C)C ZINC000052546109 519730104 /nfs/dbraw/zinc/73/01/04/519730104.db2.gz LZEVQIOXLYZVKM-UHFFFAOYSA-N 1 0 266.385 2.388 10 0 CEAERO CC(C)[NH2+][C@@](C)(CCCn1ncc2ccccc21)C(N)=O ZINC000050528037 519736262 /nfs/dbraw/zinc/73/62/62/519736262.db2.gz PAVCNKKBALCLSQ-INIZCTEOSA-N 1 0 288.395 2.059 10 0 CEAERO CC(C)[NH2+][C@](C)(C[C@@H](C)Oc1ccccc1F)C(N)=O ZINC000068655862 519740399 /nfs/dbraw/zinc/74/03/99/519740399.db2.gz FOXXLFDRVGCZKX-IAQYHMDHSA-N 1 0 282.359 2.225 10 0 CEAERO CC(C)C[NH2+]C[C@H](C(C)C)N(C)C1CCOCC1 ZINC000052481087 519745557 /nfs/dbraw/zinc/74/55/57/519745557.db2.gz YCBSVPNSNXKRLB-OAHLLOKOSA-N 1 0 256.434 2.367 10 0 CEAERO CC(C)C[NH2+]Cc1nnnn1C[C@@H]1CCCC[C@H]1C ZINC000054746967 519748988 /nfs/dbraw/zinc/74/89/88/519748988.db2.gz JTJKSRGLVFUCSW-OLZOCXBDSA-N 1 0 265.405 2.245 10 0 CEAERO CC(C)C[C@@H](C)OCCC[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000045503848 519774101 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522222894 /nfs/dbraw/zinc/22/28/94/522222894.db2.gz SXLNSIQDBKUOKI-GFCCVEGCSA-N 1 0 251.374 2.051 10 0 CEAERO CN(C)c1cccc(Oc2ccnc(C(N)=[NH2+])c2)c1 ZINC000061814643 522282629 /nfs/dbraw/zinc/28/26/29/522282629.db2.gz ZSOJMYZFCKFIBZ-UHFFFAOYSA-N 1 0 256.309 2.224 10 0 CEAERO C[NH2+][C@@H](C)CCc1ccc(OCc2nonc2C)cc1 ZINC000070261304 522320277 /nfs/dbraw/zinc/32/02/77/522320277.db2.gz NFACXWZFEPDJPZ-NSHDSACASA-N 1 0 275.352 2.498 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(F)cc1OCC(=O)N1CCCC1 ZINC000062746562 522330047 /nfs/dbraw/zinc/33/00/47/522330047.db2.gz KGAFWZGEKUFREF-NSHDSACASA-N 1 0 280.343 2.107 10 0 CEAERO CC[C@H]([NH3+])CNc1cc(C)c(Br)cn1 ZINC000163958250 522331050 /nfs/dbraw/zinc/33/10/50/522331050.db2.gz IEBMXIWUJCXOPW-QMMMGPOBSA-N 1 0 258.163 2.302 10 0 CEAERO CC[C@H]([NH3+])Cc1ccc(O[C@H]2CCOC2)c(OC)c1 ZINC000070072699 522333151 /nfs/dbraw/zinc/33/31/51/522333151.db2.gz VUBOQUPFTVTHOO-STQMWFEESA-N 1 0 265.353 2.143 10 0 CEAERO C[NH2+][C@@H](c1cccs1)c1ccc2c(c1)n(C)c(=O)n2C 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C[NH2+][C@@](C)(C[C@H](C)Oc1cccc2ccccc21)C(N)=O ZINC000068656747 522422043 /nfs/dbraw/zinc/42/20/43/522422043.db2.gz WALWPZMJMJDTFP-SJCJKPOMSA-N 1 0 286.375 2.461 10 0 CEAERO COC(=O)c1sccc1N1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054601299 522443059 /nfs/dbraw/zinc/44/30/59/522443059.db2.gz CPFUEKHTACRMOW-FGWVZKOKSA-N 1 0 280.393 2.383 10 0 CEAERO C[NH2+][C@H](C)c1ccccc1OC[C@H](O)C(F)(F)F ZINC000068876431 522452823 /nfs/dbraw/zinc/45/28/23/522452823.db2.gz NXBCEJVTUFTEHB-KCJUWKMLSA-N 1 0 263.259 2.269 10 0 CEAERO C[NH2+][C@H](CCSc1ccc(C(C)C)cc1)C(N)=O ZINC000062598665 522463594 /nfs/dbraw/zinc/46/35/94/522463594.db2.gz XDISTAFDOOCBHX-CYBMUJFWSA-N 1 0 266.410 2.366 10 0 CEAERO C[NH2+][C@H](Cn1ncccc1=O)c1ccc(CC(C)C)cc1 ZINC000061402239 522476915 /nfs/dbraw/zinc/47/69/15/522476915.db2.gz BMGBTTWJEFAVMX-MRXNPFEDSA-N 1 0 285.391 2.403 10 0 CEAERO C[NH2+][C@H](c1nccn1C)C1(c2ccccc2)CCOCC1 ZINC000069473945 522488352 /nfs/dbraw/zinc/48/83/52/522488352.db2.gz VRINVTWUSLVWDB-OAHLLOKOSA-N 1 0 285.391 2.429 10 0 CEAERO C[NH2+][C@H]1CCCN(Cc2nnc(-c3cc(C)oc3C)o2)C1 ZINC000053204182 522496848 /nfs/dbraw/zinc/49/68/48/522496848.db2.gz GFGFMEGNMMGSNL-LBPRGKRZSA-N 1 0 290.367 2.130 10 0 CEAERO CCc1nc2ccccc2n1CCC[C@](C)([NH3+])C(=O)OC ZINC000062808033 522501511 /nfs/dbraw/zinc/50/15/11/522501511.db2.gz FITKFTMLWONZTD-INIZCTEOSA-N 1 0 289.379 2.269 10 0 CEAERO C[NH2+][C@](C)(C[C@H](C)Oc1ccc2ccccc2c1)C(N)=O ZINC000068656937 522523293 /nfs/dbraw/zinc/52/32/93/522523293.db2.gz ZTIGISFGFIGBRH-YVEFUNNKSA-N 1 0 286.375 2.461 10 0 CEAERO C[NH2+][C@](C)(C[C@H](C)Sc1nc2ccccc2o1)C(N)=O ZINC000068637613 522525941 /nfs/dbraw/zinc/52/59/41/522525941.db2.gz YIJFEHYARDPPEG-LKFCYVNXSA-N 1 0 293.392 2.162 10 0 CEAERO CN(CC(=O)c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000050158722 522536182 /nfs/dbraw/zinc/53/61/82/522536182.db2.gz XCVXQQMEHMOOQK-UHFFFAOYSA-N 1 0 266.772 2.207 10 0 CEAERO COc1cc(Cn2ccc3c2CCC[C@H]3[NH3+])ccn1 ZINC000062079570 522560657 /nfs/dbraw/zinc/56/06/57/522560657.db2.gz VNSUDGUOOMPZGA-CYBMUJFWSA-N 1 0 257.337 2.276 10 0 CEAERO CCc1nccn1-c1c(F)cc(C[NH2+]C)cc1F ZINC000062719743 522579840 /nfs/dbraw/zinc/57/98/40/522579840.db2.gz WNRVZKUFMSPIDO-UHFFFAOYSA-N 1 0 251.280 2.432 10 0 CEAERO CNc1ccc(C(=O)N2CC[NH+](CC(C)C)CC2)cc1 ZINC000055085407 522583452 /nfs/dbraw/zinc/58/34/52/522583452.db2.gz SXRPWYXOJXDKHP-UHFFFAOYSA-N 1 0 275.396 2.142 10 0 CEAERO COc1cc(F)c([C@H]([NH3+])[C@H]2CCCO2)cc1OC ZINC000061560750 522589623 /nfs/dbraw/zinc/58/96/23/522589623.db2.gz UTAAMRAMEIENKA-MFKMUULPSA-N 1 0 255.289 2.022 10 0 CEAERO COc1cc(F)ccc1NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000049569912 522608348 /nfs/dbraw/zinc/60/83/48/522608348.db2.gz PPGPDWCPEWDGRW-LLVKDONJSA-N 1 0 254.305 2.146 10 0 CEAERO CNc1ccc(Cl)c(C[N@H+](C)C2CCOCC2)n1 ZINC000061631349 522620496 /nfs/dbraw/zinc/62/04/96/522620496.db2.gz OCTNUTCPCRLFKA-UHFFFAOYSA-N 1 0 269.776 2.388 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1nnc(C)o1)c1ccncc1 ZINC000051037811 522653918 /nfs/dbraw/zinc/65/39/18/522653918.db2.gz DSNXTTJMBOCOJH-GHMZBOCLSA-N 1 0 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C[C@H](C(=O)Nc1cccc(OC(F)(F)F)c1)C1C[NH2+]C1 ZINC000163850472 526157416 /nfs/dbraw/zinc/15/74/16/526157416.db2.gz HUXULSNTIYXFFA-QMMMGPOBSA-N 1 0 288.269 2.379 10 0 CEAERO COc1cccc(NC(=O)N(C)[C@H]2CCC[NH2+]CC2)c1 ZINC000226459749 526187090 /nfs/dbraw/zinc/18/70/90/526187090.db2.gz FPVKJKGUZJNNBQ-ZDUSSCGKSA-N 1 0 277.368 2.301 10 0 CEAERO COc1cccc(O[C@@H](C)C[NH2+]C[C@@H]2CCCO2)c1 ZINC000053565627 526238873 /nfs/dbraw/zinc/23/88/73/526238873.db2.gz PIXMOAVZOMQXEE-WFASDCNBSA-N 1 0 265.353 2.231 10 0 CEAERO C[C@H](CC(=O)N[C@@H](C)c1ccccn1)[C@H]1CCC[NH2+]C1 ZINC000157722644 526244121 /nfs/dbraw/zinc/24/41/21/526244121.db2.gz LIAUMXIRLWKHEQ-RDBSUJKOSA-N 1 0 275.396 2.285 10 0 CEAERO Cc1ccc(C(N)=O)c(N2CCC[C@H](C[NH2+]C(C)C)C2)c1 ZINC000063140145 526251755 /nfs/dbraw/zinc/25/17/55/526251755.db2.gz QNRQYJFLVYPLTP-CQSZACIVSA-N 1 0 289.423 2.308 10 0 CEAERO Cc1ccc2[nH]c(SC[C@@H](O)C[NH2+]C(C)C)nc2c1 ZINC000061440387 526255228 /nfs/dbraw/zinc/25/52/28/526255228.db2.gz LAUSULSXQFAAEZ-NSHDSACASA-N 1 0 279.409 2.322 10 0 CEAERO O[C@H](c1ccc(F)c(Br)c1)[C@@H]1CCC[NH2+]1 ZINC000069843718 526300183 /nfs/dbraw/zinc/30/01/83/526300183.db2.gz QDURKODDJINVBJ-WDEREUQCSA-N 1 0 274.133 2.374 10 0 CEAERO O=C([O-])[C@H](CC[N@@H+]1CCC[C@@H]2CCCC[C@H]21)[NH2+]C1CC1 ZINC000062451772 526301437 /nfs/dbraw/zinc/30/14/37/526301437.db2.gz ZVDZEVMTVDMFQC-AEGPPILISA-N 1 0 280.412 2.236 10 0 CEAERO Fc1cc(F)cc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1 ZINC000156661561 526307565 /nfs/dbraw/zinc/30/75/65/526307565.db2.gz DKTNWFAILOTOQA-LBPRGKRZSA-N 1 0 292.333 2.469 10 0 CEAERO O=C([O-])[C@H]1CCC[C@@H]1[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062756975 526324572 /nfs/dbraw/zinc/32/45/72/526324572.db2.gz VRYZQLHHDWSLJD-GJZGRUSLSA-N 1 0 280.412 2.048 10 0 CEAERO Cc1csc(Cc2nc(C)cc(C[C@H](C)[NH3+])n2)n1 ZINC000055270016 526368495 /nfs/dbraw/zinc/36/84/95/526368495.db2.gz QIWMGNFHBPUJDD-QMMMGPOBSA-N 1 0 262.382 2.030 10 0 CEAERO Cc1nnc(OCc2ccccc2F)c(C(N)=[NH2+])c1C ZINC000069284526 526376832 /nfs/dbraw/zinc/37/68/32/526376832.db2.gz QKUYEMHNDPIKMB-UHFFFAOYSA-N 1 0 274.299 2.096 10 0 CEAERO Fc1cccc(-c2nc(C[C@@H]3CCC[NH2+]C3)no2)c1 ZINC000063084726 526381961 /nfs/dbraw/zinc/38/19/61/526381961.db2.gz MROBTWYSHITCEK-JTQLQIEISA-N 1 0 261.300 2.418 10 0 CEAERO Fc1cccc(Cc2ncc(C[NH2+]C3CC3)cn2)c1 ZINC000054856205 526389311 /nfs/dbraw/zinc/38/93/11/526389311.db2.gz NSHYPZJCQZFXDG-UHFFFAOYSA-N 1 0 257.312 2.459 10 0 CEAERO Cc1nnc(Sc2ccc(C(N)=[NH2+])cc2Cl)o1 ZINC000062794896 526391323 /nfs/dbraw/zinc/39/13/23/526391323.db2.gz ZMTKCQMJDDLVDG-UHFFFAOYSA-N 1 0 268.729 2.467 10 0 CEAERO c1cc(C2=CC[NH2+]CC2)ccc1OC[C@@H]1CCOC1 ZINC000049688098 526416407 /nfs/dbraw/zinc/41/64/07/526416407.db2.gz STZLTRHNJVWITA-CYBMUJFWSA-N 1 0 259.349 2.479 10 0 CEAERO c1cc(C[NH2+]C2CC2)c(Cn2nnc3ccccc32)o1 ZINC000052576583 526426243 /nfs/dbraw/zinc/42/62/43/526426243.db2.gz MDQKICSPXOGDTM-UHFFFAOYSA-N 1 0 268.320 2.325 10 0 CEAERO O=C(NCCc1ccccc1F)c1ccc2c(c1)C[NH2+]C2 ZINC000156640940 526431523 /nfs/dbraw/zinc/43/15/23/526431523.db2.gz BPNJOSMEPNJBRP-UHFFFAOYSA-N 1 0 284.334 2.401 10 0 CEAERO c1cc2c(ncnc2N2CCC[C@@H]2C[NH2+]C2CC2)s1 ZINC000053694849 526443061 /nfs/dbraw/zinc/44/30/61/526443061.db2.gz RBRVUJKQBSCLFB-LLVKDONJSA-N 1 0 274.393 2.412 10 0 CEAERO c1ccc(C[C@@H]2CN(C[C@@H]3CCCCO3)CC[NH2+]2)cc1 ZINC000068694611 526476695 /nfs/dbraw/zinc/47/66/95/526476695.db2.gz OZDWCTJSRAPPBM-SJORKVTESA-N 1 0 274.408 2.072 10 0 CEAERO c1ccc(Nc2ccnc(N[C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000057330381 526482626 /nfs/dbraw/zinc/48/26/26/526482626.db2.gz LAQYYXFGICBFSZ-CYBMUJFWSA-N 1 0 269.352 2.384 10 0 CEAERO c1ccc(Nc2ccnc(N3CCC[NH2+]CC3)n2)cc1 ZINC000057330369 526482934 /nfs/dbraw/zinc/48/29/34/526482934.db2.gz HTVHNSKJADJGDK-UHFFFAOYSA-N 1 0 269.352 2.020 10 0 CEAERO c1ccc([C@H]2CCc3[nH]nc(N4CC[NH2+]CC4)c3C2)cc1 ZINC000062670024 526498782 /nfs/dbraw/zinc/49/87/82/526498782.db2.gz CYQOFRMJPMUZDG-AWEZNQCLSA-N 1 0 282.391 2.092 10 0 CEAERO c1ccc([C@H]2CN(Cc3ccncc3)CC[NH2+]2)cc1 ZINC000068693587 526498818 /nfs/dbraw/zinc/49/88/18/526498818.db2.gz PGRMTQPRAVDVKA-MRXNPFEDSA-N 1 0 253.349 2.228 10 0 CEAERO c1ccn2c(c1)nnc2SCC[C@@H]1CCCC[NH2+]1 ZINC000061407785 526521657 /nfs/dbraw/zinc/52/16/57/526521657.db2.gz YZSKXLXIVOOLOR-NSHDSACASA-N 1 0 262.382 2.354 10 0 CEAERO Cc1nc(-c2ccccn2)nc(C)c1CC[NH2+]C1CC1 ZINC000054853874 526609410 /nfs/dbraw/zinc/60/94/10/526609410.db2.gz SWVGRMYRBRDIQB-UHFFFAOYSA-N 1 0 268.364 2.450 10 0 CEAERO Cc1oc(CN2C[C@H](C)OC(C)(C)C2)cc1C[NH3+] ZINC000052543475 526772853 /nfs/dbraw/zinc/77/28/53/526772853.db2.gz IXTAOXNPIRGILK-JTQLQIEISA-N 1 0 252.358 2.046 10 0 CEAERO NC(=[NH2+])c1cc2c(nc1SC1CCOCC1)CCC2 ZINC000062054545 526821669 /nfs/dbraw/zinc/82/16/69/526821669.db2.gz UZMZAUYFZWLAJY-UHFFFAOYSA-N 1 0 277.393 2.125 10 0 CEAERO Cc1nc(CCc2ccccc2)nc(C)c1CC[NH3+] ZINC000054836758 526831726 /nfs/dbraw/zinc/83/17/26/526831726.db2.gz CLHPATAHIZJZSQ-UHFFFAOYSA-N 1 0 255.365 2.380 10 0 CEAERO O=C(NOCC[NH+]1CCCC1)Nc1cccc(Cl)c1 ZINC000062578325 526845720 /nfs/dbraw/zinc/84/57/20/526845720.db2.gz HEWKBFKDVNQAKY-UHFFFAOYSA-N 1 0 283.759 2.489 10 0 CEAERO Cc1nc(CN(C)[C@]2(C[NH3+])CCCSC2)cs1 ZINC000061590277 526846273 /nfs/dbraw/zinc/84/62/73/526846273.db2.gz OJUUJJPWUGWESQ-LBPRGKRZSA-N 1 0 271.455 2.108 10 0 CEAERO O=C(N[C@@H]1CCCC[NH2+]C1)c1ccc(Cl)cc1F ZINC000070120229 526884897 /nfs/dbraw/zinc/88/48/97/526884897.db2.gz YUGYFCTUHWFWBN-SNVBAGLBSA-N 1 0 270.735 2.351 10 0 CEAERO Cc1ncc(C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)[nH]1 ZINC000054821823 526890956 /nfs/dbraw/zinc/89/09/56/526890956.db2.gz YUPLGYKZSNHICL-VIFPVBQESA-N 1 0 259.309 2.298 10 0 CEAERO O=C(C[NH2+][C@H]1CCCc2sccc21)NC1CCOCC1 ZINC000062768889 526892557 /nfs/dbraw/zinc/89/25/57/526892557.db2.gz OUTMJEWEKOCYFW-ZDUSSCGKSA-N 1 0 294.420 2.010 10 0 CEAERO Cc1nc(N2CC[NH+](CC3CC3)CC2)sc1[C@@H](C)O ZINC000054928407 526969735 /nfs/dbraw/zinc/96/97/35/526969735.db2.gz ANTROCUDJMNLMW-LLVKDONJSA-N 1 0 281.425 2.037 10 0 CEAERO Cc1nc(N2C[C@@H](C)OC[C@@H]2C)sc1C[NH2+]C1CC1 ZINC000054997267 526973492 /nfs/dbraw/zinc/97/34/92/526973492.db2.gz PHSFJTIQHGNIRK-VHSXEESVSA-N 1 0 281.425 2.317 10 0 CEAERO NC(=O)[C@@](CSc1ccc(F)cc1)([NH2+]C1CC1)C1CC1 ZINC000069186775 526989235 /nfs/dbraw/zinc/98/92/35/526989235.db2.gz TVIKGNHACNUJGR-HNNXBMFYSA-N 1 0 294.395 2.304 10 0 CEAERO Clc1ccccc1OCC[NH2+]C[C@H]1CCCO1 ZINC000049633307 526991094 /nfs/dbraw/zinc/99/10/94/526991094.db2.gz BXIVRKMVMNIAAJ-LLVKDONJSA-N 1 0 255.745 2.487 10 0 CEAERO Clc1cnn(Cc2occc2C[NH2+]C2CC2)c1 ZINC000052577141 527001115 /nfs/dbraw/zinc/00/11/15/527001115.db2.gz MLZHWKZDDZMAPF-UHFFFAOYSA-N 1 0 251.717 2.430 10 0 CEAERO NC(=O)c1c(Cl)cccc1OCC[C@H]1CCCC[NH2+]1 ZINC000052908608 527019111 /nfs/dbraw/zinc/01/91/11/527019111.db2.gz KXFBHDKTIXXMHF-SNVBAGLBSA-N 1 0 282.771 2.350 10 0 CEAERO NC(=O)c1cc(Cl)ccc1N[C@H]1CCCC[C@H]1[NH3+] ZINC000052858650 527027400 /nfs/dbraw/zinc/02/74/00/527027400.db2.gz VEAILMWPMLWPPA-PWSUYJOCSA-N 1 0 267.760 2.121 10 0 CEAERO NC(=S)c1ccc(NCC[NH+]2CCCCC2)cc1 ZINC000049575546 527120313 /nfs/dbraw/zinc/12/03/13/527120313.db2.gz TWHSTTRMOOMNTF-UHFFFAOYSA-N 1 0 263.410 2.219 10 0 CEAERO NC(=S)c1ccccc1C[N@@H+]1CCC[C@H]1CCCO ZINC000052759774 527121028 /nfs/dbraw/zinc/12/10/28/527121028.db2.gz GCNPZTWYVWINDA-ZDUSSCGKSA-N 1 0 278.421 2.058 10 0 CEAERO [NH3+]CC1(C(=O)N2CCC[C@H]2CCCO)CCCCCC1 ZINC000052763258 527161887 /nfs/dbraw/zinc/16/18/87/527161887.db2.gz FWHMZALXJDZHPS-AWEZNQCLSA-N 1 0 282.428 2.049 10 0 CEAERO Cc1nc2ccccc2n(CC[NH2+][C@@H](C)C2CC2)c1=O ZINC000053537538 527162300 /nfs/dbraw/zinc/16/23/00/527162300.db2.gz ROCGCTWCAHSUAN-NSHDSACASA-N 1 0 271.364 2.093 10 0 CEAERO [NH3+]CCCCC(=O)N[C@@H]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000070201769 527171529 /nfs/dbraw/zinc/17/15/29/527171529.db2.gz SILDGGGHHXDVRO-GHMZBOCLSA-N 1 0 296.333 2.122 10 0 CEAERO [NH3+]CCCN(C(=O)[C@@H]1CCCCO1)C1CCCCCC1 ZINC000050958327 527177022 /nfs/dbraw/zinc/17/70/22/527177022.db2.gz PCXILNVBOAWAAT-HNNXBMFYSA-N 1 0 282.428 2.456 10 0 CEAERO O=S(=O)(C[C@@H]1CCC[NH2+]C1)Nc1cccc(Cl)c1 ZINC000049641594 527182737 /nfs/dbraw/zinc/18/27/37/527182737.db2.gz AERGEBPERGAUMX-SNVBAGLBSA-N 1 0 288.800 2.081 10 0 CEAERO O=S(=O)(C[C@H]1CCCC[NH2+]1)Nc1ccccc1Cl ZINC000049630827 527184783 /nfs/dbraw/zinc/18/47/83/527184783.db2.gz IHRYUZMKKCIGAF-SNVBAGLBSA-N 1 0 288.800 2.224 10 0 CEAERO [NH3+]CC[C@H]1CN(C(=O)C(F)(F)F)c2ccccc21 ZINC000063127546 527195591 /nfs/dbraw/zinc/19/55/91/527195591.db2.gz UNAYIPFQCPPYRM-QMMMGPOBSA-N 1 0 258.243 2.028 10 0 CEAERO [NH3+]CCc1nnc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000050283778 527198469 /nfs/dbraw/zinc/19/84/69/527198469.db2.gz SHAATPBLVFJMPC-UHFFFAOYSA-N 1 0 257.215 2.257 10 0 CEAERO [NH3+]CCc1nccn1Cc1cccc(C(F)(F)F)c1 ZINC000052304064 527199214 /nfs/dbraw/zinc/19/92/14/527199214.db2.gz OOGUYMBWERNYEK-UHFFFAOYSA-N 1 0 269.270 2.451 10 0 CEAERO Cn1cc(C[C@@H]([NH3+])Cc2ccc(Br)cc2)cn1 ZINC000050542426 527229805 /nfs/dbraw/zinc/22/98/05/527229805.db2.gz RJUMYDSEPGFSIU-ZDUSSCGKSA-N 1 0 294.196 2.295 10 0 CEAERO [NH3+]C[C@H]1CC[C@H](COc2ccc3c(c2)CCCC3)O1 ZINC000052706829 527241079 /nfs/dbraw/zinc/24/10/79/527241079.db2.gz TXUPENJRSPCYML-HZPDHXFCSA-N 1 0 261.365 2.451 10 0 CEAERO [NH3+]Cc1c(F)cccc1Oc1ncnc2c1CCC2 ZINC000061278027 527243378 /nfs/dbraw/zinc/24/33/78/527243378.db2.gz OAAVRXLSHHWPJF-UHFFFAOYSA-N 1 0 259.284 2.355 10 0 CEAERO [NH3+]Cc1cc(Cn2cc(-c3ccccc3)cn2)ccn1 ZINC000068751056 527248861 /nfs/dbraw/zinc/24/88/61/527248861.db2.gz SROLVWCPDYDSNU-UHFFFAOYSA-N 1 0 264.332 2.452 10 0 CEAERO [NH3+]Cc1cc(N2CCO[C@H]3CCC[C@@H]32)nc2ccccc12 ZINC000051397580 527249349 /nfs/dbraw/zinc/24/93/49/527249349.db2.gz FACFDZHKNKRJCA-HOTGVXAUSA-N 1 0 283.375 2.451 10 0 CEAERO [NH3+]Cc1cc(OCC2CCOCC2)nc2ccccc12 ZINC000052170793 527250364 /nfs/dbraw/zinc/25/03/64/527250364.db2.gz QHRGEVHFBFHYHN-UHFFFAOYSA-N 1 0 272.348 2.499 10 0 CEAERO [NH3+]Cc1cc2c(nc1-n1ncc3ccccc31)CCC2 ZINC000050523886 527250550 /nfs/dbraw/zinc/25/05/50/527250550.db2.gz ZKJOWDZCFVSYGO-UHFFFAOYSA-N 1 0 264.332 2.368 10 0 CEAERO [NH3+]Cc1ccc(NC(=O)c2cccc3ncccc32)nc1 ZINC000061410578 527256340 /nfs/dbraw/zinc/25/63/40/527256340.db2.gz QLNHVSOAPNCYGV-UHFFFAOYSA-N 1 0 278.315 2.341 10 0 CEAERO [NH3+]Cc1ccc(NC(=O)Cc2cccc(O)c2)cc1 ZINC000048814685 527256528 /nfs/dbraw/zinc/25/65/28/527256528.db2.gz ZGKYQRCGSLHARJ-UHFFFAOYSA-N 1 0 256.305 2.032 10 0 CEAERO [NH3+]Cc1ccc([C@H](O)Cn2ncc3ccccc32)cc1 ZINC000050524513 527257865 /nfs/dbraw/zinc/25/78/65/527257865.db2.gz AKYMWBYICNOSCY-MRXNPFEDSA-N 1 0 267.332 2.229 10 0 CEAERO [NH3+]Cc1cccc(CNC(=O)C2(c3ccccc3)CC2)c1 ZINC000061617521 527258452 /nfs/dbraw/zinc/25/84/52/527258452.db2.gz WUGAGMBXFXLLMD-UHFFFAOYSA-N 1 0 280.371 2.493 10 0 CEAERO [NH3+]Cc1cccc(NC(=O)Cc2cccc(O)c2)c1 ZINC000048814687 527259398 /nfs/dbraw/zinc/25/93/98/527259398.db2.gz RGSFSGVUZARVHX-UHFFFAOYSA-N 1 0 256.305 2.032 10 0 CEAERO O=C(Cc1cccc(O)c1)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000063188710 527266180 /nfs/dbraw/zinc/26/61/80/527266180.db2.gz IOMPMJKJPOFDCE-CVEARBPZSA-N 1 0 288.391 2.068 10 0 CEAERO Cc1ncc(CNC[C@H]2Cc3ccccc3C[NH2+]2)s1 ZINC000049538899 527272576 /nfs/dbraw/zinc/27/25/76/527272576.db2.gz XGCPUELTAMMCRH-CQSZACIVSA-N 1 0 273.405 2.256 10 0 CEAERO NNc1ccc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)c[nH+]1 ZINC000051090769 527275451 /nfs/dbraw/zinc/27/54/51/527275451.db2.gz ZSKOYEWKRNNKMP-AAEUAGOBSA-N 1 0 274.368 2.020 10 0 CEAERO [NH3+][C@@H](Cc1ccncc1)c1ccc2c(c1)OCCO2 ZINC000055229126 527337273 /nfs/dbraw/zinc/33/72/73/527337273.db2.gz RUCNIGLXLZTMGW-ZDUSSCGKSA-N 1 0 256.305 2.095 10 0 CEAERO [NH3+][C@@H](c1ccc(Cl)cc1Cl)[C@@H]1COCCO1 ZINC000055301063 527339236 /nfs/dbraw/zinc/33/92/36/527339236.db2.gz QQGXCVSSJOZHCS-QWRGUYRKSA-N 1 0 262.136 2.409 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@@H]1NC(=O)c1cc(F)c(F)c(F)c1 ZINC000063210039 527341940 /nfs/dbraw/zinc/34/19/40/527341940.db2.gz VAYNIQHFAGSBDJ-NEPJUHHUSA-N 1 0 286.297 2.494 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1cccc2cccnc21 ZINC000061416126 527343167 /nfs/dbraw/zinc/34/31/67/527343167.db2.gz CYTIUJYMPLTWDV-KGLIPLIRSA-N 1 0 269.348 2.235 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1NC(=O)CCc1c[nH]c2ccccc12 ZINC000063173613 527352064 /nfs/dbraw/zinc/35/20/64/527352064.db2.gz MDVUWXLLNXZUBN-HIFRSBDPSA-N 1 0 271.364 2.097 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1NC(=O)Nc1ccccc1Cl ZINC000063174457 527352204 /nfs/dbraw/zinc/35/22/04/527352204.db2.gz KHXUFARVNTWERN-KOLCDFICSA-N 1 0 253.733 2.341 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)C1(c2ccccc2)CC1 ZINC000061618346 527396543 /nfs/dbraw/zinc/39/65/43/527396543.db2.gz IUINPOUBMHDYKJ-KBPBESRZSA-N 1 0 258.365 2.104 10 0 CEAERO Cc1nn(-c2cc[nH+]cc2N)c(C)c1Br ZINC000050588482 527569131 /nfs/dbraw/zinc/56/91/31/527569131.db2.gz KWEOSGSXNVTRAF-UHFFFAOYSA-N 1 0 267.130 2.229 10 0 CEAERO OCc1sc(N2CC[C@@H]([NH+]3CCCC3)C2)nc1C1CC1 ZINC000069183306 527643486 /nfs/dbraw/zinc/64/34/86/527643486.db2.gz DURRLGAMSQDAGW-GFCCVEGCSA-N 1 0 293.436 2.187 10 0 CEAERO O[C@@H](C[NH+]1Cc2ccccc2C1)c1ccc2c(c1)OCO2 ZINC000050912066 527650805 /nfs/dbraw/zinc/65/08/05/527650805.db2.gz XNXPPNRPOUGNKV-HNNXBMFYSA-N 1 0 283.327 2.465 10 0 CEAERO FC(F)(F)COCCN1CC[NH2+][C@H](C2CCCCC2)C1 ZINC000068693890 527669521 /nfs/dbraw/zinc/66/95/21/527669521.db2.gz LJOPCUOKLNBAND-ZDUSSCGKSA-N 1 0 294.361 2.419 10 0 CEAERO O[C@@H]1CCCC[C@H]1[NH2+]CCc1cc(F)cc(F)c1 ZINC000060718315 527670707 /nfs/dbraw/zinc/67/07/07/527670707.db2.gz YHARZRALDHOOQS-ZIAGYGMSSA-N 1 0 255.308 2.400 10 0 CEAERO Cc1nn(C)c(N2CCCC2)c1C[NH2+]C(C)(C)C ZINC000062734065 527675575 /nfs/dbraw/zinc/67/55/75/527675575.db2.gz MRCZGOGNYWZJSA-UHFFFAOYSA-N 1 0 250.390 2.217 10 0 CEAERO CCC[C@H](C(=O)N1CCn2c3ccccc3nc21)[NH+](C)C ZINC000179386016 527976951 /nfs/dbraw/zinc/97/69/51/527976951.db2.gz DIGMOBNMZOUCJU-CQSZACIVSA-N 1 0 286.379 2.113 10 0 CEAERO CCCn1ccnc1CCC[N@H+](C)C[C@@](C)(O)CC ZINC000191490185 528861862 /nfs/dbraw/zinc/86/18/62/528861862.db2.gz FMMMJUXQEHNBQQ-HNNXBMFYSA-N 1 0 267.417 2.319 10 0 CEAERO CCCn1ccnc1CCC[N@H+](C)C[C@](C)(O)CC ZINC000191490166 528862858 /nfs/dbraw/zinc/86/28/58/528862858.db2.gz FMMMJUXQEHNBQQ-OAHLLOKOSA-N 1 0 267.417 2.319 10 0 CEAERO CC(C)([NH3+])C(=O)NCCc1c(Cl)cccc1Cl ZINC000236793632 535196393 /nfs/dbraw/zinc/19/63/93/535196393.db2.gz HJAZIJQHLXGJRG-UHFFFAOYSA-N 1 0 275.179 2.389 10 0 CEAERO CO[C@H](c1ccccc1F)[C@H](C)NC(=O)C1CC[NH2+]CC1 ZINC000262119770 536673082 /nfs/dbraw/zinc/67/30/82/536673082.db2.gz JKHMMMZUDRMYGA-NHYWBVRUSA-N 1 0 294.370 2.018 10 0 CEAERO COc1cccc2c1N(C(=O)[C@@H]1CCC[C@H]1[NH3+])CCC2 ZINC000085369554 536958775 /nfs/dbraw/zinc/95/87/75/536958775.db2.gz OQLLSCOTTWSGKV-CHWSQXEVSA-N 1 0 274.364 2.102 10 0 CEAERO COc1ccc2c(c1)CCCN2C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085371398 536969937 /nfs/dbraw/zinc/96/99/37/536969937.db2.gz PWNYMWIWGRIOSJ-ZIAGYGMSSA-N 1 0 274.364 2.102 10 0 CEAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)nc1 ZINC000757192271 574512078 /nfs/dbraw/zinc/51/20/78/574512078.db2.gz WQGRYGCGIMYZBL-WDEREUQCSA-N 1 0 282.771 2.380 10 0 CEAERO Cc1sc([C@H]2CC[C@H](CC[NH3+])C[NH2+]2)cc1C(=O)[O-] ZINC000757232440 574513718 /nfs/dbraw/zinc/51/37/18/574513718.db2.gz IHROVNMPOPOHKA-MWLCHTKSSA-N 1 0 268.382 2.144 10 0 CEAERO [NH3+]C[C@@H]1CCN1Cc1ccc(Br)cc1F ZINC000757141047 574510228 /nfs/dbraw/zinc/51/02/28/574510228.db2.gz CSAVQJOVGZKYKY-JTQLQIEISA-N 1 0 273.149 2.121 10 0 CEAERO Cc1nn(C)c2sc([C@@H]3CC[C@@H]([NH3+])[C@H](C)N3)cc12 ZINC000757216552 574513397 /nfs/dbraw/zinc/51/33/97/574513397.db2.gz QIASVOUDHOVFTF-GDPRMGEGSA-N 1 0 264.398 2.084 10 0 CEAERO CCOC(=O)[C@H]1CCC[NH2+][C@H]1c1ccc(C=O)s1 ZINC000757218633 574513563 /nfs/dbraw/zinc/51/35/63/574513563.db2.gz VNUROQDXBWMBNY-CMPLNLGQSA-N 1 0 267.350 2.164 10 0 CEAERO CC(C)(C)OC(=O)c1cnc([C@@H]2CCC[NH2+]C2)o1 ZINC000675075230 567024762 /nfs/dbraw/zinc/02/47/62/567024762.db2.gz IHCNMDQCLNCVGE-SECBINFHSA-N 1 0 252.314 2.097 10 0 CEAERO C[C@H](C[NH3+])[C@@H](O)c1csc(Br)c1 ZINC000235437014 567902953 /nfs/dbraw/zinc/90/29/53/567902953.db2.gz FSBSPICGAPFNRT-SVGQVSJJSA-N 1 0 250.161 2.139 10 0 CEAERO CC[C@H]1C[NH2+][C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000725255415 567915111 /nfs/dbraw/zinc/91/51/11/567915111.db2.gz AOVPPVLCLQCUHE-RISCZKNCSA-N 1 0 254.374 2.386 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@H](C[NH3+])C[C@@H]1[C@H]1CCCO1 ZINC000725268811 567924464 /nfs/dbraw/zinc/92/44/64/567924464.db2.gz BQWPNCKIFCTHKP-YNEHKIRRSA-N 1 0 284.400 2.140 10 0 CEAERO COC1=CC=C2[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3C)[C@H]1O5 ZINC000053275063 571770316 /nfs/dbraw/zinc/77/03/16/571770316.db2.gz ZKLXUUYLEHCAMF-UUWFMWQGSA-N 1 0 297.354 2.122 10 0 endogenous,in-man CEAERO Cc1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)c(Cl)c1 ZINC000235342145 625328542 /nfs/dbraw/zinc/32/85/42/625328542.db2.gz NWFZCMPBGUXFSW-SKDRFNHKSA-N 1 0 252.745 2.068 10 0 CEAERO Cc1nc([C@H]2C[NH2+]C[C@@H]2C(=O)OC(C)(C)C)cs1 ZINC000757192291 622965183 /nfs/dbraw/zinc/96/51/83/622965183.db2.gz XUDKQUQKAXEFPF-UWVGGRQHSA-N 1 0 268.382 2.096 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CN1C(=O)C[C@@H]1c1ccccc1 ZINC000247224123 623054227 /nfs/dbraw/zinc/05/42/27/623054227.db2.gz XXSWQDIWGSINMA-DJIMGWMZSA-N 1 0 299.418 2.086 10 0 CEAERO CCS(=O)(=O)c1ccccc1N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000050163870 623328772 /nfs/dbraw/zinc/32/87/72/623328772.db2.gz KVNHQOIANBRPLW-CHWSQXEVSA-N 1 0 296.436 2.280 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](c2nc(COCC(F)(F)C(F)F)no2)C1 ZINC000236313101 623352550 /nfs/dbraw/zinc/35/25/50/623352550.db2.gz PGJOHDDZBKXMRA-RNFRBKRXSA-N 1 0 297.252 2.081 10 0 CEAERO Oc1ccc(CN2CC[N@@H+]3CCCC[C@@H]3C2)cc1F ZINC000236591886 623403877 /nfs/dbraw/zinc/40/38/77/623403877.db2.gz BFCMKHMYLIQNNT-CYBMUJFWSA-N 1 0 264.344 2.201 10 0 CEAERO COC[C@]1(C(=O)N[C@@H](C)c2ccc(Cl)cc2)CC[NH2+]C1 ZINC000261657468 623423273 /nfs/dbraw/zinc/42/32/73/623423273.db2.gz DSRGWFHVVAVFJT-NHYWBVRUSA-N 1 0 296.798 2.143 10 0 CEAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC2CC(O)C2)C1 ZINC000093216435 623583431 /nfs/dbraw/zinc/58/34/31/623583431.db2.gz RTAMXXLRSPKDLB-CEUNDQEZSA-N 1 0 298.427 2.183 10 0 CEAERO CCn1cnnc1[C@H]1CCC[N@H+](C/C=C\Cl)C1 ZINC000255381031 623877707 /nfs/dbraw/zinc/87/77/07/623877707.db2.gz QBHNOEQJGAKSBK-QZPNVGJNSA-N 1 0 254.765 2.230 10 0 CEAERO C[C@H]1CN(C(=O)c2ccc(F)c(C(F)(F)F)c2)C[C@H]1[NH3+] ZINC000235642196 625683029 /nfs/dbraw/zinc/68/30/29/625683029.db2.gz NYCFLSSVTVIYBY-WRWORJQWSA-N 1 0 290.260 2.264 10 0 CEAERO C[C@@H]([NH2+][C@@H](C)c1ncc(Br)s1)[C@H](C)O ZINC000308625941 623902832 /nfs/dbraw/zinc/90/28/32/623902832.db2.gz WCVYSEASIBGIDZ-VQVTYTSYSA-N 1 0 279.203 2.326 10 0 CEAERO CN(C/C=C\Cl)C1CC[NH+](CCn2cccn2)CC1 ZINC000255392941 623934635 /nfs/dbraw/zinc/93/46/35/623934635.db2.gz DJYMQKREUIJAMX-KXFIGUGUSA-N 1 0 282.819 2.032 10 0 CEAERO Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)cc1 ZINC000261972837 624027603 /nfs/dbraw/zinc/02/76/03/624027603.db2.gz QSXPWYNIPFNFOO-BRWVUGGUSA-N 1 0 274.408 2.242 10 0 CEAERO C[C@H]1CN(C(=O)c2cc(F)c(Cl)cc2F)C[C@@H]1[NH3+] ZINC000235660227 625697594 /nfs/dbraw/zinc/69/75/94/625697594.db2.gz FKOPYDWLRHNMIJ-KGFZYKRKSA-N 1 0 274.698 2.037 10 0 CEAERO Cc1cc2c(ncnc2N2CCC[C@@H](C[NH3+])C2)s1 ZINC000104411855 624326356 /nfs/dbraw/zinc/32/63/56/624326356.db2.gz MFLCQCJBRKQPJQ-JTQLQIEISA-N 1 0 262.382 2.175 10 0 CEAERO C[C@@H](O)[C@@H](C)[NH2+]Cc1c(F)cccc1Br ZINC000309055292 624490407 /nfs/dbraw/zinc/49/04/07/624490407.db2.gz UCXICHKPKPUNJQ-HTQZYQBOSA-N 1 0 276.149 2.447 10 0 CEAERO C[C@@H]1CN(C(=O)Cc2ccc(C(F)(F)F)cc2)C[C@@H]1[NH3+] ZINC000235334991 624711458 /nfs/dbraw/zinc/71/14/58/624711458.db2.gz VRBFYEVONYFCKT-SKDRFNHKSA-N 1 0 286.297 2.054 10 0 CEAERO CCS(=O)(=O)CC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000163567848 627356188 /nfs/dbraw/zinc/35/61/88/627356188.db2.gz ODLFYDJRHWRKLC-BFHYXJOUSA-N 1 0 275.458 2.472 10 0 CEAERO CCN1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000328530997 627889222 /nfs/dbraw/zinc/88/92/22/627889222.db2.gz XLFWQYWOXIAOTK-BPQIPLTHSA-N 1 0 287.451 2.333 10 0 CEAERO Brc1cccnc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000310095730 628538969 /nfs/dbraw/zinc/53/89/69/628538969.db2.gz LKZOZUYKCFRLMG-LLVKDONJSA-N 1 0 296.212 2.124 10 0 CEAERO Cc1cc2c(ncnc2N(C)CC(C)(C)C[NH3+])s1 ZINC000093874612 628726186 /nfs/dbraw/zinc/72/61/86/628726186.db2.gz JXSDIYWGNMKFGY-UHFFFAOYSA-N 1 0 264.398 2.421 10 0 CEAERO CCCCS[C@H](C)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000236783395 628744651 /nfs/dbraw/zinc/74/46/51/628744651.db2.gz YVQQNHKFNVPBKT-IJLUTSLNSA-N 1 0 258.431 2.152 10 0 CEAERO [NH3+]C1CC(C(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000258694019 628761548 /nfs/dbraw/zinc/76/15/48/628761548.db2.gz JJKDSTWAUAVUDT-UHFFFAOYSA-N 1 0 258.243 2.381 10 0 CEAERO C[C@@H](C[NH3+])c1noc([C@H]2CCOc3ccccc32)n1 ZINC000104203733 628763054 /nfs/dbraw/zinc/76/30/54/628763054.db2.gz QXQOLPWYSIKLRU-ONGXEEELSA-N 1 0 259.309 2.046 10 0 CEAERO COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)O)cc1OC ZINC000094653925 628869376 /nfs/dbraw/zinc/86/93/76/628869376.db2.gz SEXREIIXVLTRLC-OUAUKWLOSA-N 1 0 253.342 2.124 10 0 CEAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccc(F)cc1N ZINC000094441325 628915748 /nfs/dbraw/zinc/91/57/48/628915748.db2.gz DBIUTRUAAVNNCC-WCQYABFASA-N 1 0 291.370 2.107 10 0 CEAERO Cc1c(Br)cccc1C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000261553231 628936561 /nfs/dbraw/zinc/93/65/61/628936561.db2.gz NQGZLVAIDULMMY-BXKDBHETSA-N 1 0 297.196 2.319 10 0 CEAERO Cc1ccnc(N2CC[C@]3(CC[NH2+]C3)C2)c1Br ZINC000261556125 628937967 /nfs/dbraw/zinc/93/79/67/628937967.db2.gz QILITZWLXNNUMB-ZDUSSCGKSA-N 1 0 296.212 2.342 10 0 CEAERO [NH3+]C[C@H]1CCCN(c2ccnc(C(F)(F)F)c2)C1 ZINC000261567001 628940439 /nfs/dbraw/zinc/94/04/39/628940439.db2.gz IMLGBKCGHBZSPJ-SECBINFHSA-N 1 0 259.275 2.276 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)c1ccc(-c2ccccc2)n1C ZINC000261612189 628948340 /nfs/dbraw/zinc/94/83/40/628948340.db2.gz AFUYEINNEGKUON-LBPRGKRZSA-N 1 0 271.364 2.030 10 0 CEAERO CC(C)[C@H](C)NC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000251277794 628955542 /nfs/dbraw/zinc/95/55/42/628955542.db2.gz CUZOPYWIAAMGES-FQUUOJAGSA-N 1 0 252.402 2.458 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N(C)Cc1cc(F)c(F)c(F)c1 ZINC000236939887 629129052 /nfs/dbraw/zinc/12/90/52/629129052.db2.gz ORTQZYDCOIFFGG-AMIZOPFISA-N 1 0 288.313 2.436 10 0 CEAERO C[C@@H]([NH3+])CCNC(=O)c1ccc(-c2ccccc2)n1C ZINC000178680325 629129104 /nfs/dbraw/zinc/12/91/04/629129104.db2.gz JQJJPLHHVZADMA-GFCCVEGCSA-N 1 0 271.364 2.159 10 0 CEAERO [NH3+][C@H]1CCCN(C(=O)c2cccc(OC(F)(F)F)c2)C1 ZINC000261719475 629155035 /nfs/dbraw/zinc/15/50/35/629155035.db2.gz KDRRFHZNUSKPDE-JTQLQIEISA-N 1 0 288.269 2.149 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)C1(c2cccc(Cl)c2)CC1 ZINC000261727042 629159990 /nfs/dbraw/zinc/15/99/90/629159990.db2.gz LFJHXJJSHQADCF-SNVBAGLBSA-N 1 0 266.772 2.096 10 0 CEAERO CCCC[C@H](CC)C(=O)N[C@H]1C[NH+]2CCC1CC2 ZINC000222585650 629183286 /nfs/dbraw/zinc/18/32/86/629183286.db2.gz DSCOIUCWADWQAW-JSGCOSHPSA-N 1 0 252.402 2.413 10 0 CEAERO CCc1ccc([C@@H](C)NC(=O)[C@@H]([NH3+])C2CCOCC2)cc1 ZINC000261895070 629306823 /nfs/dbraw/zinc/30/68/23/629306823.db2.gz VWRQGNOKSMSEFF-WBMJQRKESA-N 1 0 290.407 2.180 10 0 CEAERO Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)c1 ZINC000262011596 629435839 /nfs/dbraw/zinc/43/58/39/629435839.db2.gz VPMZDPPLVPKRSD-GVDBMIGSSA-N 1 0 274.408 2.242 10 0 CEAERO CCS(=O)(=O)c1ccccc1NCCC(C)(C)[NH3+] ZINC000310736241 629745153 /nfs/dbraw/zinc/74/51/53/629745153.db2.gz PGTGAIDUJMFHDO-UHFFFAOYSA-N 1 0 270.398 2.020 10 0 CEAERO O[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@@H](C(F)(F)F)C2)C1 ZINC000310435334 629874532 /nfs/dbraw/zinc/87/45/32/629874532.db2.gz RBRNWWVJDCKMCG-GMTAPVOTSA-N 1 0 251.292 2.422 10 0 CEAERO CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@H]1CCCO[C@@H]1C ZINC000192252304 630015656 /nfs/dbraw/zinc/01/56/56/630015656.db2.gz YKLZZJFSOZBMNZ-ZNMIVQPWSA-N 1 0 281.396 2.078 10 0 CEAERO CC[C@H]1CC[C@H](C(=O)N[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000262179476 630040528 /nfs/dbraw/zinc/04/05/28/630040528.db2.gz INCAIKZGXHLPCZ-XDQVBPFNSA-N 1 0 252.402 2.460 10 0 CEAERO FC(F)(F)c1ccccc1OCCN[C@H]1CC[NH2+]C1 ZINC000262280620 630602122 /nfs/dbraw/zinc/60/21/22/630602122.db2.gz ZFXTZZREBRATMP-JTQLQIEISA-N 1 0 274.286 2.036 10 0 CEAERO FC(F)Oc1ccc(NCC[C@@H]2CC[NH2+]C2)nc1 ZINC000262316547 630683754 /nfs/dbraw/zinc/68/37/54/630683754.db2.gz ZSGMMHYDWPZNPI-VIFPVBQESA-N 1 0 257.284 2.095 10 0 CEAERO CCC[C@H](C)C[NH+]1CCC([N@H+](CC)CC(=O)[O-])CC1 ZINC000263487456 631445244 /nfs/dbraw/zinc/44/52/44/631445244.db2.gz HRSWJIHHLANGHW-ZDUSSCGKSA-N 1 0 270.417 2.294 10 0 CEAERO c1cc2ncc(-c3noc([C@@H]4CC[NH2+]C4)n3)cc2s1 ZINC000163486571 631750962 /nfs/dbraw/zinc/75/09/62/631750962.db2.gz KVLANIZPLRHAKE-MRVPVSSYSA-N 1 0 272.333 2.423 10 0 CEAERO CC1(C)C[NH2+]C2(CCSCC2)O[C@]12CCOC2 ZINC000757138281 631822517 /nfs/dbraw/zinc/82/25/17/631822517.db2.gz AYAQFEPLFVSEEE-LBPRGKRZSA-N 1 0 257.399 2.015 10 0 CEAERO Cc1cc2c(c(-c3cccc(CO)c3)c1)O[C@H](C[NH3+])C2 ZINC000067805182 633575205 /nfs/dbraw/zinc/57/52/05/633575205.db2.gz AGXATJXLUYMGDE-HNNXBMFYSA-N 1 0 269.344 2.417 10 0 CEAERO Cc1[nH]nc(Cl)c1C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000900377809 633691893 /nfs/dbraw/zinc/69/18/93/633691893.db2.gz GIBBJYSVCKQNJT-SNVBAGLBSA-N 1 0 286.807 2.078 10 0 CEAERO O[C@H](C[N@@H+]1CCC[C@]2(CCCOC2)C1)c1cccnc1 ZINC000827963486 636472556 /nfs/dbraw/zinc/47/25/56/636472556.db2.gz MQBXGLWHWSHCSN-CVEARBPZSA-N 1 0 276.380 2.008 10 0 CEAERO CCN1CCO[C@@H](CNCc2nc(C(C)(C)C)cs2)C1 ZINC000165981644 637254884 /nfs/dbraw/zinc/25/48/84/637254884.db2.gz HYDIXZZQNWHMJD-LBPRGKRZSA-N 1 0 297.468 2.251 10 0 CEAERO NC(=O)C[C@H]([NH3+])c1cccc(OCc2ccccc2)c1 ZINC000044250476 638733396 /nfs/dbraw/zinc/73/33/96/638733396.db2.gz HVGUFHIVNAAOAM-HNNXBMFYSA-N 1 0 270.332 2.141 10 0 CEAERO CC[C@@H](COC)[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000157334739 639481666 /nfs/dbraw/zinc/48/16/66/639481666.db2.gz PAFVWQGAFOWICI-STQMWFEESA-N 1 0 286.416 2.258 10 0 CEAERO CCc1cnccc1-c1noc([C@H]2CC[C@H]([NH3+])C2)n1 ZINC000167492974 639519884 /nfs/dbraw/zinc/51/98/84/639519884.db2.gz QOQHWDOOFKVBBM-QWRGUYRKSA-N 1 0 258.325 2.289 10 0 CEAERO C[C@H]1CCN(c2ncccc2Br)C[C@@H]1C[NH3+] ZINC000167689073 639530164 /nfs/dbraw/zinc/53/01/64/639530164.db2.gz KMLVBKKRSXWMJV-UWVGGRQHSA-N 1 0 284.201 2.265 10 0 CEAERO [NH3+]C1CC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC000168441030 639570000 /nfs/dbraw/zinc/57/00/00/639570000.db2.gz LENBEEQXMVPZHO-VSSFCTHRSA-N 1 0 264.413 2.446 10 0 CEAERO CO[C@H](c1noc(-c2cccc3c2CC[NH2+]C3)n1)C1CC1 ZINC000227330944 639585110 /nfs/dbraw/zinc/58/51/10/639585110.db2.gz XDKYOSQRSNTCHV-AWEZNQCLSA-N 1 0 285.347 2.480 10 0 CEAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1c1nc(C[C@@H]2CCC[NH2+]C2)no1 ZINC000087243867 639624450 /nfs/dbraw/zinc/62/44/50/639624450.db2.gz CABSNWXYCXRFPH-GHMOJZLGSA-N 1 0 279.384 2.139 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(F)c(Cl)c1 ZINC000229584101 639708291 /nfs/dbraw/zinc/70/82/91/639708291.db2.gz DYEXQPJBUMJVHN-QPUJVOFHSA-N 1 0 270.735 2.349 10 0 CEAERO Cc1ccc(CCC(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000061883711 639727330 /nfs/dbraw/zinc/72/73/30/639727330.db2.gz HZYAEPRTTYORAT-HUUCEWRRSA-N 1 0 260.381 2.171 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)Nc1ccc(F)cc1F ZINC000061884432 639727539 /nfs/dbraw/zinc/72/75/39/639727539.db2.gz DQVXMRZGQRTHTD-LDYMZIIASA-N 1 0 269.295 2.214 10 0 CEAERO Fc1cc(F)cc(Cc2noc([C@H]3CC[NH2+]C3)n2)c1 ZINC000062119709 639736855 /nfs/dbraw/zinc/73/68/55/639736855.db2.gz ZUBIHLSZPXPRPY-VIFPVBQESA-N 1 0 265.263 2.016 10 0 CEAERO Clc1cccc(Cc2noc([C@@H]3CC[NH2+]C3)n2)c1 ZINC000062119642 639736891 /nfs/dbraw/zinc/73/68/91/639736891.db2.gz JMJFQJAHQFZFIU-SNVBAGLBSA-N 1 0 263.728 2.391 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+]Cc2nccs2)C1 ZINC000230167003 639742647 /nfs/dbraw/zinc/74/26/47/639742647.db2.gz JZUSSGHHBFFWTC-LLVKDONJSA-N 1 0 297.424 2.490 10 0 CEAERO CCOC[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000230393709 639756991 /nfs/dbraw/zinc/75/69/91/639756991.db2.gz PZGAXKUDFRZKEG-STQMWFEESA-N 1 0 286.416 2.258 10 0 CEAERO COC1CC([NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000230675343 639778188 /nfs/dbraw/zinc/77/81/88/639778188.db2.gz QLPZTINDJPUBEN-ABXWRUBCSA-N 1 0 298.427 2.447 10 0 CEAERO COc1ccc(-c2nc(C[C@@H]3CCC[NH2+]C3)no2)cc1F ZINC000063084442 639822681 /nfs/dbraw/zinc/82/26/81/639822681.db2.gz IPCCTCONVMDKRG-JTQLQIEISA-N 1 0 291.326 2.426 10 0 CEAERO C[C@@H]([NH3+])CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000063171753 639837702 /nfs/dbraw/zinc/83/77/02/639837702.db2.gz MBEVRLZJMFNVBO-MRVPVSSYSA-N 1 0 296.314 2.129 10 0 CEAERO CN(C(=O)Cc1c(F)cccc1F)[C@H]1CCC[NH2+]CC1 ZINC000231490119 639858147 /nfs/dbraw/zinc/85/81/47/639858147.db2.gz CARRNNVXSQWCGP-NSHDSACASA-N 1 0 282.334 2.108 10 0 CEAERO CCCC(=O)N[C@H]1CCC[N@H+](CCCCCCCO)C1 ZINC000173615171 639866026 /nfs/dbraw/zinc/86/60/26/639866026.db2.gz YAILYUIIIIFJBY-HNNXBMFYSA-N 1 0 284.444 2.310 10 0 CEAERO CC(C)C[C@@H]1CC(=O)N(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)C1 ZINC000174079705 639896385 /nfs/dbraw/zinc/89/63/85/639896385.db2.gz HKABJNIGZGBMGV-ARFHVFGLSA-N 1 0 293.455 2.007 10 0 CEAERO CC(=O)Nc1cccc(NC(=O)[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000089387051 640361580 /nfs/dbraw/zinc/36/15/80/640361580.db2.gz XZXIASLYJGNCTK-WFASDCNBSA-N 1 0 289.379 2.349 10 0 CEAERO Cc1cccc(-c2noc([C@H]3CCC[C@H]3C[NH3+])n2)n1 ZINC000089431309 640431249 /nfs/dbraw/zinc/43/12/49/640431249.db2.gz ZBRXUKDJELKIAK-QWRGUYRKSA-N 1 0 258.325 2.282 10 0 CEAERO Cc1nn(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)c(=S)s1 ZINC000153214273 640431509 /nfs/dbraw/zinc/43/15/09/640431509.db2.gz SOAGFZDNDYQTBG-GXSJLCMTSA-N 1 0 284.454 2.109 10 0 CEAERO Cc1ccnc(-c2noc([C@H]3CCC[C@@H]3C[NH3+])n2)c1 ZINC000089431316 640431602 /nfs/dbraw/zinc/43/16/02/640431602.db2.gz NUDBVMDCYXRWDK-MNOVXSKESA-N 1 0 258.325 2.282 10 0 CEAERO C[C@H]([NH2+][C@H]1CCC(=O)NC1=O)c1ccc(C(C)(C)C)cc1 ZINC000089753235 640922027 /nfs/dbraw/zinc/92/20/27/640922027.db2.gz RGBMPTXTJMALGZ-FZMZJTMJSA-N 1 0 288.391 2.440 10 0 CEAERO CCCCCCNC(=O)CN(C)C[C@@H]1CCC[N@@H+]1CC ZINC000175362306 641325292 /nfs/dbraw/zinc/32/52/92/641325292.db2.gz PKLUKSVSHIOERL-HNNXBMFYSA-N 1 0 283.460 2.099 10 0 CEAERO Cc1ccc(-c2cnn(CN3CC[C@@H]([NH+](C)C)C3)c2)cc1 ZINC000170842719 641339316 /nfs/dbraw/zinc/33/93/16/641339316.db2.gz WVRVCTGYEATSIH-QGZVFWFLSA-N 1 0 284.407 2.452 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)OCc2ccccc2)C1 ZINC000181689757 641584613 /nfs/dbraw/zinc/58/46/13/641584613.db2.gz AWHRGXPVJXFXQI-OAHLLOKOSA-N 1 0 291.395 2.244 10 0 CEAERO COC(=O)Nc1ccc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000070575436 641684921 /nfs/dbraw/zinc/68/49/21/641684921.db2.gz GJFGAQIPORIJGW-WDEREUQCSA-N 1 0 291.351 2.321 10 0 CEAERO [NH3+]CCc1nc(C2CCCC2)[nH]c1Br ZINC000084130402 642310243 /nfs/dbraw/zinc/31/02/43/642310243.db2.gz URRVXHPHEIPLFG-UHFFFAOYSA-N 1 0 258.163 2.331 10 0 CEAERO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)c1ccc2ccccc2c1 ZINC000109691467 642880012 /nfs/dbraw/zinc/88/00/12/642880012.db2.gz OUDPPZZGVHIUMT-SJORKVTESA-N 1 0 298.386 2.084 10 0 CEAERO CC(C)N(C)c1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)cc1F ZINC000111264924 643755978 /nfs/dbraw/zinc/75/59/78/643755978.db2.gz ARPMHXKKXRCZTK-DGCLKSJQSA-N 1 0 293.386 2.464 10 0 CEAERO C[NH+](C)CCCCCCCNC(=O)N[C@H]1CCCC[C@H]1O ZINC000103310877 644140455 /nfs/dbraw/zinc/14/04/55/644140455.db2.gz FSXYPVDSCZKELN-LSDHHAIUSA-N 1 0 299.459 2.101 10 0 CEAERO CC[C@H]1CC[N@H+](Cn2cnc3c2ncnc3NC(C)C)C1 ZINC000119506304 646745941 /nfs/dbraw/zinc/74/59/41/646745941.db2.gz HJDPSMZHUQNQCC-LBPRGKRZSA-N 1 0 288.399 2.336 10 0 CEAERO CCCC[N@H+](C)CC1CCN(C(=O)n2ccnc2)CC1 ZINC000123506401 649011617 /nfs/dbraw/zinc/01/16/17/649011617.db2.gz JLFOTLICBAPNIZ-UHFFFAOYSA-N 1 0 278.400 2.295 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+]C2CCOCC2)C1 ZINC000123713482 649120009 /nfs/dbraw/zinc/12/00/09/649120009.db2.gz FGDWIVQHUZLSDE-LBPRGKRZSA-N 1 0 284.400 2.012 10 0 CEAERO OC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cl)cn1 ZINC000124846799 649751398 /nfs/dbraw/zinc/75/13/98/649751398.db2.gz HQVBRXYDKNLRIF-MFKMUULPSA-N 1 0 254.761 2.376 10 0 CEAERO CC1(CNc2ncnc3sccc32)CC[NH2+]CC1 ZINC000129493223 651994019 /nfs/dbraw/zinc/99/40/19/651994019.db2.gz ZXUCYZWPGQHIRP-UHFFFAOYSA-N 1 0 262.382 2.493 10 0 CEAERO [NH3+]C1(C(=O)Nc2ccc3ccccc3c2)CCOCC1 ZINC000132090286 652495068 /nfs/dbraw/zinc/49/50/68/652495068.db2.gz GLXQYRIYEGHWFZ-UHFFFAOYSA-N 1 0 270.332 2.286 10 0 CEAERO Cc1cnc(=S)n(CN2CCS[C@@H](C)C2)c1 ZINC000132423944 652519826 /nfs/dbraw/zinc/51/98/26/652519826.db2.gz RSDQOEKYJACVPY-JTQLQIEISA-N 1 0 255.412 2.316 10 0 CEAERO CCC1CCC([NH2+][C@@H](C)C[C@H]2COCCN2)CC1 ZINC000133903723 652742884 /nfs/dbraw/zinc/74/28/84/652742884.db2.gz OOKFZPVYIFYHBV-PPWQZUPISA-N 1 0 254.418 2.312 10 0 CEAERO CC[C@H](O)CC[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000135041159 652915794 /nfs/dbraw/zinc/91/57/94/652915794.db2.gz ABMWXLSKUSGKJZ-STQMWFEESA-N 1 0 291.313 2.489 10 0 CEAERO CC[NH2+][C@H](C[S@@](=O)c1ccccc1OC)C1CC1 ZINC000082000070 177917894 /nfs/dbraw/zinc/91/78/94/177917894.db2.gz FRRISMLWHFDXDD-XIKOKIGWSA-N 1 0 267.394 2.191 10 0 CEAERO COc1ccc(C[C@@H](C[NH3+])c2ccc[nH]2)cc1OC ZINC000082296413 177950960 /nfs/dbraw/zinc/95/09/60/177950960.db2.gz YKOJCNWWDCATMG-LBPRGKRZSA-N 1 0 260.337 2.317 10 0 CEAERO C[C@@H]1CCN(C(=O)OCc2ccccc2)[C@H]2CC[NH2+][C@@H]21 ZINC000095643153 185017509 /nfs/dbraw/zinc/01/75/09/185017509.db2.gz WYIRRUZDTGVMIX-VHDGCEQUSA-N 1 0 274.364 2.396 10 0 CEAERO CC[NH2+]Cc1sc(CS(C)(=O)=O)nc1C(C)(C)C ZINC000082439813 178017857 /nfs/dbraw/zinc/01/78/57/178017857.db2.gz JHUNSOGTLUYUHB-UHFFFAOYSA-N 1 0 290.454 2.095 10 0 CEAERO [NH3+]C[C@H](O[C@@H]1CCOC1)c1cccc(Br)c1 ZINC000082452968 178031154 /nfs/dbraw/zinc/03/11/54/178031154.db2.gz PFEGYZCNJXLPCS-NEPJUHHUSA-N 1 0 286.169 2.254 10 0 CEAERO C[C@]([NH3+])(CCO)c1ccc(Br)s1 ZINC000082554914 178089106 /nfs/dbraw/zinc/08/91/06/178089106.db2.gz OONAOAHAZMZFIY-QMMMGPOBSA-N 1 0 250.161 2.067 10 0 CEAERO Cn1c2ncccc2nc1[C@@H]([NH3+])Cc1ccccc1 ZINC000082556001 178092933 /nfs/dbraw/zinc/09/29/33/178092933.db2.gz JGSDUCVXXZYDLO-LBPRGKRZSA-N 1 0 252.321 2.211 10 0 CEAERO [NH3+]Cc1nccnc1-c1ccc(Br)s1 ZINC000082575245 178116514 /nfs/dbraw/zinc/11/65/14/178116514.db2.gz KBAYWAXUFCOMLB-UHFFFAOYSA-N 1 0 270.155 2.426 10 0 CEAERO [NH3+]Cc1nccc(-c2cc(Br)cs2)n1 ZINC000082575251 178116609 /nfs/dbraw/zinc/11/66/09/178116609.db2.gz WIFRFFWCKQBDHK-UHFFFAOYSA-N 1 0 270.155 2.426 10 0 CEAERO C[NH2+]CCCN(CC(F)F)C(=O)OC(C)(C)C ZINC000095930071 185031802 /nfs/dbraw/zinc/03/18/02/185031802.db2.gz IYRHHHPTCLPGFP-UHFFFAOYSA-N 1 0 252.305 2.098 10 0 CEAERO CC1=CC[C@](O)([C@H]2C[NH2+]CCN2Cc2ccccc2)C=C1 ZINC000095932570 185032672 /nfs/dbraw/zinc/03/26/72/185032672.db2.gz FSYUUHJQROISLT-MSOLQXFVSA-N 1 0 284.403 2.098 10 0 CEAERO COc1ccc(-c2noc(CC[NH3+])n2)cc1Br ZINC000082587244 178124720 /nfs/dbraw/zinc/12/47/20/178124720.db2.gz QNUYOZFZBFZHOR-UHFFFAOYSA-N 1 0 298.140 2.009 10 0 CEAERO Cc1ncsc1C[N@H+](C)CCCCC(N)=S ZINC000082633076 178141926 /nfs/dbraw/zinc/14/19/26/178141926.db2.gz IBNAIHNSVVCZMO-UHFFFAOYSA-N 1 0 257.428 2.340 10 0 CEAERO CN1c2ccc([C@@H]([NH3+])c3ccc(F)cc3)cc2CC1=O ZINC000034940661 361798930 /nfs/dbraw/zinc/79/89/30/361798930.db2.gz WXHWIRVHROOTBO-INIZCTEOSA-N 1 0 270.307 2.393 10 0 CEAERO CCOCCC[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000034973343 361801629 /nfs/dbraw/zinc/80/16/29/361801629.db2.gz UOWNODDFUCFZOH-MRXNPFEDSA-N 1 0 262.397 2.277 10 0 CEAERO C[NH2+]CCC[S@@](=O)c1ccc(Br)cc1 ZINC000082747056 178269155 /nfs/dbraw/zinc/26/91/55/178269155.db2.gz LRLSUFJZCIMEPB-AWEZNQCLSA-N 1 0 276.199 2.166 10 0 CEAERO C[C@@H]([NH3+])C[S@@](=O)c1cc(Cl)ccc1Cl ZINC000082744579 178269168 /nfs/dbraw/zinc/26/91/68/178269168.db2.gz DTCFJXJYMWTGMC-RCNPXXIZSA-N 1 0 252.166 2.448 10 0 CEAERO CC[C@H]([NH3+])C[S@](=O)c1ccc(Br)cc1 ZINC000082747092 178269336 /nfs/dbraw/zinc/26/93/36/178269336.db2.gz KORDSCGLDXAACV-LKFCYVNXSA-N 1 0 276.199 2.294 10 0 CEAERO C[C@@H]([NH3+])C[C@@H](C)S(=O)(=O)c1ccccc1Cl ZINC000082798378 178301748 /nfs/dbraw/zinc/30/17/48/178301748.db2.gz HUKBADQTGUKDKS-RKDXNWHRSA-N 1 0 261.774 2.240 10 0 CEAERO C[NH2+][C@@H](C)C[C@@H](C)Sc1nnc(N(C)C)s1 ZINC000082799066 178302175 /nfs/dbraw/zinc/30/21/75/178302175.db2.gz NMVDNIOCANJYJT-JGVFFNPUSA-N 1 0 260.432 2.083 10 0 CEAERO C[NH2+][C@H](C)C[C@@H](C)Sc1nnc(N(C)C)s1 ZINC000082799067 178302396 /nfs/dbraw/zinc/30/23/96/178302396.db2.gz NMVDNIOCANJYJT-HTQZYQBOSA-N 1 0 260.432 2.083 10 0 CEAERO COCC[N@@H+]1CC[C@]12CCN(Cc1cccc(F)c1)C2 ZINC000096075932 185090336 /nfs/dbraw/zinc/09/03/36/185090336.db2.gz QUTMSNZMTUHRMK-INIZCTEOSA-N 1 0 278.371 2.122 10 0 CEAERO CC[C@@H](CC[NH3+])S(=O)(=O)c1ccccc1Cl ZINC000082789756 178295003 /nfs/dbraw/zinc/29/50/03/178295003.db2.gz WRSWLYQPWBTFTL-VIFPVBQESA-N 1 0 261.774 2.241 10 0 CEAERO C[NH2+][C@H]1CCC[C@H](S(=O)(=O)c2cccs2)C1 ZINC000082818535 178316523 /nfs/dbraw/zinc/31/65/23/178316523.db2.gz VVJKXRUFCPFPGQ-UWVGGRQHSA-N 1 0 259.396 2.052 10 0 CEAERO [NH3+][C@H]1CC[C@H]([S@](=O)c2cccc(Br)c2)C1 ZINC000082820197 178316991 /nfs/dbraw/zinc/31/69/91/178316991.db2.gz QRZCCTHRRGBDBH-ZSGNIPIJSA-N 1 0 288.210 2.437 10 0 CEAERO C[C@@H](O)CC[NH2+]CCOc1cccc(Br)c1 ZINC000082996661 178333435 /nfs/dbraw/zinc/33/34/35/178333435.db2.gz ORHXIULPKPMWKM-SNVBAGLBSA-N 1 0 288.185 2.188 10 0 CEAERO [NH3+][C@@H](CO)CSc1cc(Cl)ccc1Cl ZINC000082903112 178328926 /nfs/dbraw/zinc/32/89/26/178328926.db2.gz OFNBYGOTGFCOOY-ZETCQYMHSA-N 1 0 252.166 2.405 10 0 CEAERO COc1ccc(C[C@@]2([NH3+])CCOC2)cc1Br ZINC000083186583 178352262 /nfs/dbraw/zinc/35/22/62/178352262.db2.gz AXKKPIKWOVSLCH-LBPRGKRZSA-N 1 0 286.169 2.118 10 0 CEAERO C[C@H]([NH2+]CCC1OCCO1)c1ccc(F)c(F)c1 ZINC000125351697 187180468 /nfs/dbraw/zinc/18/04/68/187180468.db2.gz CAGHQXREHANRDB-VIFPVBQESA-N 1 0 257.280 2.378 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000096897197 185124415 /nfs/dbraw/zinc/12/44/15/185124415.db2.gz OEFXICZJKJOJRG-RYUDHWBXSA-N 1 0 254.374 2.386 10 0 CEAERO CCC(=O)Nc1ccc(C)c(NC(=O)[C@H]2CCC[NH2+]C2)c1 ZINC000037012585 361881047 /nfs/dbraw/zinc/88/10/47/361881047.db2.gz XBIVAARYXWIQDW-LBPRGKRZSA-N 1 0 289.379 2.282 10 0 CEAERO CCC[C@H]([NH3+])C(=O)Nc1ccccc1N1CCCC1 ZINC000037016731 361884370 /nfs/dbraw/zinc/88/43/70/361884370.db2.gz YHCGTIXFZGBPDN-LBPRGKRZSA-N 1 0 261.369 2.353 10 0 CEAERO CC(=O)Nc1ccc(NC(=O)[C@H]2CCC[NH2+]C2)cc1Cl ZINC000037020011 361885549 /nfs/dbraw/zinc/88/55/49/361885549.db2.gz YKWDZNILDDQXEE-JTQLQIEISA-N 1 0 295.770 2.237 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[NH2+]C[C@@H]2CCC[C@@H]21 ZINC000096958493 185141566 /nfs/dbraw/zinc/14/15/66/185141566.db2.gz BTGWYEQPIUAJIR-RYUDHWBXSA-N 1 0 254.374 2.386 10 0 CEAERO C[C@@H]1C[NH2+]CC[C@]12C[C@H](O)c1ccc(F)cc1O2 ZINC000097005932 185150943 /nfs/dbraw/zinc/15/09/43/185150943.db2.gz BQRKOBKMOVAYPT-LQJRIPTKSA-N 1 0 251.301 2.010 10 0 CEAERO Cc1ccc2cccc(NC(=O)[C@@H]3CCC[NH2+]3)c2n1 ZINC000039286915 361987737 /nfs/dbraw/zinc/98/77/37/361987737.db2.gz NDFWMPYOSFOPMS-ZDUSSCGKSA-N 1 0 255.321 2.234 10 0 CEAERO CCN1CCO[C@H](C[NH2+]Cc2ccccc2C2CC2)C1 ZINC000122002114 539032460 /nfs/dbraw/zinc/03/24/60/539032460.db2.gz IFMQAFHBOXKMFO-MRXNPFEDSA-N 1 0 274.408 2.374 10 0 CEAERO Cc1cc2c(c(Br)c1)NC[C@]21C[C@H]1[NH3+] ZINC000725247757 539192503 /nfs/dbraw/zinc/19/25/03/539192503.db2.gz XBYWERQEVHGQDI-MWLCHTKSSA-N 1 0 253.143 2.152 10 0 CEAERO CCC(C)(C)NC(=O)N[C@@H]1CC[NH2+]CC[C@H]1C(F)(F)F ZINC000725262756 539211663 /nfs/dbraw/zinc/21/16/63/539211663.db2.gz OPOFVQAGJWJCPK-NXEZZACHSA-N 1 0 295.349 2.405 10 0 CEAERO CC(C)[C@H](C)C(=O)N1CC[C@@H]([NH3+])[C@@H](C(F)(F)F)CC1 ZINC000725262970 539211864 /nfs/dbraw/zinc/21/18/64/539211864.db2.gz YMMSPKLOYWMKKE-GARJFASQSA-N 1 0 280.334 2.407 10 0 CEAERO CC(C)C(=O)N1CC[C@@H]2CC[C@]21[C@@H]1CCC[NH2+]C1 ZINC000725263438 539212063 /nfs/dbraw/zinc/21/20/63/539212063.db2.gz GWOXPTXNAWGQPK-GZBFAFLISA-N 1 0 250.386 2.023 10 0 CEAERO Cc1sc([C@@H]2CCC[NH2+]2)nc1C(=O)NC(C)C ZINC000725264475 539212926 /nfs/dbraw/zinc/21/29/26/539212926.db2.gz PPPRGBAJYKVYGZ-VIFPVBQESA-N 1 0 253.371 2.014 10 0 CEAERO CCC(C)(C)NC(=O)N1CC[C@@]2([NH3+])CCCC[C@H]12 ZINC000725264592 539212947 /nfs/dbraw/zinc/21/29/47/539212947.db2.gz XPWIOAPIJUVSGU-FZMZJTMJSA-N 1 0 253.390 2.230 10 0 CEAERO CCCC(=O)Nc1ncc(CN2CC[C@@H]([NH3+])[C@H](C)C2)s1 ZINC000725272427 539215623 /nfs/dbraw/zinc/21/56/23/539215623.db2.gz QAVQCCDLVNFZQS-ZYHUDNBSSA-N 1 0 296.440 2.051 10 0 CEAERO CCN1CCO[C@H](C[NH2+]Cc2ccc(F)c(Cl)c2)C1 ZINC000092052660 539229441 /nfs/dbraw/zinc/22/94/41/539229441.db2.gz PUIMXEOIWQTZRT-GFCCVEGCSA-N 1 0 286.778 2.289 10 0 CEAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCCC3(CC3)C2)C1 ZINC000335875542 282204012 /nfs/dbraw/zinc/20/40/12/282204012.db2.gz XFZGNMIWKIHCMA-CHWSQXEVSA-N 1 0 265.401 2.055 10 0 CEAERO C[C@@H](NC(=O)NCC[NH+](C)C)c1ccc(Cl)s1 ZINC000133433183 539272888 /nfs/dbraw/zinc/27/28/88/539272888.db2.gz CITRDRWGZYHTPN-MRVPVSSYSA-N 1 0 275.805 2.323 10 0 CEAERO C[C@H](NC(=O)C(C)(C)[NH3+])c1ccc2c(c1)CCCC2 ZINC000040922095 362009107 /nfs/dbraw/zinc/00/91/07/362009107.db2.gz GVFUEHKXGDKFPL-NSHDSACASA-N 1 0 260.381 2.480 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H]2C[C@@H](OCC(C)C)C2(C)C)C1 ZINC000225808820 539284213 /nfs/dbraw/zinc/28/42/13/539284213.db2.gz BMLBEKRZKISEME-BZUAXINKSA-N 1 0 298.471 2.136 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1ccc(Br)s1)N(C)C ZINC000043259119 362140705 /nfs/dbraw/zinc/14/07/05/362140705.db2.gz QVIZICHNEQDMSN-RCOVLWMOSA-N 1 0 263.204 2.461 10 0 CEAERO CC(C)(C)OC(=O)N1CC(c2cncc(F)c2)=C[C@@H]([NH3+])C1 ZINC000675077962 539299036 /nfs/dbraw/zinc/29/90/36/539299036.db2.gz LAKRNDPLKWFNKY-CYBMUJFWSA-N 1 0 293.342 2.182 10 0 CEAERO CCOc1ccc(NC(=O)c2c[nH+]ccc2N)cc1F ZINC000126649956 187253096 /nfs/dbraw/zinc/25/30/96/187253096.db2.gz JVVRDIROWYDQOX-UHFFFAOYSA-N 1 0 275.283 2.454 10 0 CEAERO Cc1cc(O)c(CCC[NH3+])cc1I ZINC000044282484 362151993 /nfs/dbraw/zinc/15/19/93/362151993.db2.gz CPQYUPOMPPJDOX-UHFFFAOYSA-N 1 0 291.132 2.197 10 0 CEAERO Cc1cc(C)c(O)c(NC(=O)C[C@H]2CCC[NH2+]C2)c1 ZINC000094574445 539301520 /nfs/dbraw/zinc/30/15/20/539301520.db2.gz UIDNMFIVWSKGMM-GFCCVEGCSA-N 1 0 262.353 2.337 10 0 CEAERO C[C@@H]([NH2+]CCc1cccs1)C(=O)NC1CCCC1 ZINC000034936688 343421381 /nfs/dbraw/zinc/42/13/81/343421381.db2.gz KSXRMXKXUNLZIB-LLVKDONJSA-N 1 0 266.410 2.328 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1cc(F)ccc1F ZINC000037007637 343424962 /nfs/dbraw/zinc/42/49/62/343424962.db2.gz NPCSSPJMIHDOMI-VHSXEESVSA-N 1 0 268.307 2.142 10 0 CEAERO CCOc1cc(C[NH2+][C@@H]2CCC[C@H](O)C2)ccc1O ZINC000037164480 343426117 /nfs/dbraw/zinc/42/61/17/343426117.db2.gz NPDJTSFPNOECIB-OLZOCXBDSA-N 1 0 265.353 2.184 10 0 CEAERO CC(=O)Nc1ccc(C[NH2+][C@H]2CCC[C@@H](O)C2)cc1 ZINC000037164832 343426183 /nfs/dbraw/zinc/42/61/83/343426183.db2.gz OBAHNGXBVLXOCK-LSDHHAIUSA-N 1 0 262.353 2.038 10 0 CEAERO [NH3+]C1CCC(C(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000037629366 343430244 /nfs/dbraw/zinc/43/02/44/343430244.db2.gz JHRLIVLNOBKSIS-YIZWMMSDSA-N 1 0 274.364 2.144 10 0 CEAERO CCOc1ccc([C@H](C)NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000227795640 539321659 /nfs/dbraw/zinc/32/16/59/539321659.db2.gz PSKXFMCOEDCIHK-IACUBPJLSA-N 1 0 276.380 2.390 10 0 CEAERO C[NH+](C)[C@H]1CC[C@H](NC(=O)N2CC3(C2)CCCCC3)C1 ZINC000336530900 282270292 /nfs/dbraw/zinc/27/02/92/282270292.db2.gz GXVBQMPDLTWFMP-KBPBESRZSA-N 1 0 279.428 2.445 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)c1cc(F)ccc1F ZINC000227864664 539323412 /nfs/dbraw/zinc/32/34/12/539323412.db2.gz OMLVEIIZFLKYEQ-IQJOONFLSA-N 1 0 268.307 2.269 10 0 CEAERO Cc1cccc(CN(C)C(=O)C[C@@H]2CCC[NH2+]C2)c1 ZINC000054291187 343587298 /nfs/dbraw/zinc/58/72/98/343587298.db2.gz FKQDHHIQJSYJBR-AWEZNQCLSA-N 1 0 260.381 2.343 10 0 CEAERO CC(C)(C[NH3+])C(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000127976094 187344518 /nfs/dbraw/zinc/34/45/18/187344518.db2.gz BUIDEGZYOFPLDY-CYBMUJFWSA-N 1 0 296.798 2.225 10 0 CEAERO CC(C)[C@@H](C[NH3+])NC(=O)c1ccc(Br)cc1 ZINC000083567708 178581927 /nfs/dbraw/zinc/58/19/27/178581927.db2.gz XXQWEYDRSPTFJA-LLVKDONJSA-N 1 0 285.185 2.162 10 0 CEAERO Cc1cc(C)cc(CN2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000128113367 187351649 /nfs/dbraw/zinc/35/16/49/187351649.db2.gz FIVDEBVLPFMJRZ-INIZCTEOSA-N 1 0 262.397 2.066 10 0 CEAERO COc1cccc([C@H](CNC(=O)N[C@@H]2C[C@@H]2C)[NH+](C)C)c1 ZINC000076051973 343878046 /nfs/dbraw/zinc/87/80/46/343878046.db2.gz SWTVMLNNAKRLSS-GLQYFDAESA-N 1 0 291.395 2.006 10 0 CEAERO Cc1cccc(C)c1NC(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1O ZINC000078480561 343954604 /nfs/dbraw/zinc/95/46/04/343954604.db2.gz JABQVTBCLXLRNG-KBPBESRZSA-N 1 0 276.380 2.087 10 0 CEAERO [NH3+][C@H](CO)c1cc(Cl)cc(Br)c1 ZINC000095636550 344237346 /nfs/dbraw/zinc/23/73/46/344237346.db2.gz PUIYJAKPFORUNO-MRVPVSSYSA-N 1 0 250.523 2.095 10 0 CEAERO C[C@@]1(O)CCN(Cc2ccccc2)C[C@H]1[NH+]1CCCC1 ZINC000097942678 344246607 /nfs/dbraw/zinc/24/66/07/344246607.db2.gz RWERSMACAZBTRF-IAGOWNOFSA-N 1 0 274.408 2.108 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]Cc2cccc3cccnc32)C1 ZINC000113266768 344276528 /nfs/dbraw/zinc/27/65/28/344276528.db2.gz AYHPOFHLUCYMJI-INIZCTEOSA-N 1 0 285.391 2.045 10 0 CEAERO CC(C)(C)c1cc(N)n(-c2ccc3c(c2)CC[NH2+]C3)n1 ZINC000117982358 344290269 /nfs/dbraw/zinc/29/02/69/344290269.db2.gz CXYALHZXXNAKRM-UHFFFAOYSA-N 1 0 270.380 2.398 10 0 CEAERO CCCC[C@@H](C[NH3+])Nc1ccc(C(=O)OC)c(C)n1 ZINC000124451221 344314197 /nfs/dbraw/zinc/31/41/97/344314197.db2.gz DAUNDEOQDNXONR-NSHDSACASA-N 1 0 265.357 2.106 10 0 CEAERO CSCC[C@H](C)N(C)C(=O)C1CCC([NH3+])CC1 ZINC000133368311 344367944 /nfs/dbraw/zinc/36/79/44/344367944.db2.gz RBQLRELCGPFJBW-UNXYVOJBSA-N 1 0 258.431 2.104 10 0 CEAERO CCN1CCO[C@H](C[NH2+]Cc2ccc3ncccc3c2)C1 ZINC000134437502 344374073 /nfs/dbraw/zinc/37/40/73/344374073.db2.gz BSDXNWQAPCHQGM-MRXNPFEDSA-N 1 0 285.391 2.045 10 0 CEAERO COC(=O)c1ccc(C[NH2+][C@@H]2CCCCC[C@H]2O)cc1 ZINC000135665542 344382691 /nfs/dbraw/zinc/38/26/91/344382691.db2.gz YNAUBYMBLSFAIH-HUUCEWRRSA-N 1 0 277.364 2.256 10 0 CEAERO C[C@@H](Oc1cc(Br)ccc1F)C(N)=[NH2+] ZINC000160501378 344459009 /nfs/dbraw/zinc/45/90/09/344459009.db2.gz PJFZEPNAXGYTGF-RXMQYKEDSA-N 1 0 261.094 2.291 10 0 CEAERO CC(C)(C)OC(=O)N1CCC(OCC2CC[NH2+]CC2)CC1 ZINC000165020244 344473119 /nfs/dbraw/zinc/47/31/19/344473119.db2.gz HROHVPZZDPLGJJ-UHFFFAOYSA-N 1 0 298.427 2.402 10 0 CEAERO C[C@@H]1CCCC[C@H]1CNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170834230 344491241 /nfs/dbraw/zinc/49/12/41/344491241.db2.gz OOSZWTIUFNTJGG-RDBSUJKOSA-N 1 0 267.417 2.158 10 0 CEAERO C[NH2+]CC(=O)c1c(F)ccc(Br)c1F ZINC000218516433 344536880 /nfs/dbraw/zinc/53/68/80/344536880.db2.gz ZEQWEMGYHHWMMF-UHFFFAOYSA-N 1 0 264.069 2.129 10 0 CEAERO CC(C)c1cc(NC(=O)[C@H]([NH3+])Cc2ccccc2)n[nH]1 ZINC000228342164 344559849 /nfs/dbraw/zinc/55/98/49/344559849.db2.gz HDGNKBBMFDAWKM-GFCCVEGCSA-N 1 0 272.352 2.042 10 0 CEAERO O[C@H](C[NH2+]CCC1=CCCC1)COCc1ccco1 ZINC000228676200 344562908 /nfs/dbraw/zinc/56/29/08/344562908.db2.gz DWDVVTVEGITXGT-CQSZACIVSA-N 1 0 265.353 2.247 10 0 CEAERO [NH2+]=C1NC[C@@H](c2cscn2)N1Cc1ccccc1 ZINC000229332375 344565860 /nfs/dbraw/zinc/56/58/60/344565860.db2.gz BBNLMBXIGNPXLO-LBPRGKRZSA-N 1 0 258.350 2.015 10 0 CEAERO CC(C)(C[NH3+])c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000229553575 344567797 /nfs/dbraw/zinc/56/77/97/344567797.db2.gz AQSAPAKFKQDQIP-UHFFFAOYSA-N 1 0 260.259 2.424 10 0 CEAERO C[C@H](C[NH3+])Nc1ccccc1I ZINC000235469497 344591576 /nfs/dbraw/zinc/59/15/76/344591576.db2.gz ZUBVSOKOCWQAER-SSDOTTSWSA-N 1 0 276.121 2.050 10 0 CEAERO C[C@H]([NH3+])C[C@H](O)c1ccc(I)cc1 ZINC000235504499 344591635 /nfs/dbraw/zinc/59/16/35/344591635.db2.gz ZONCIDVAMTYPDU-XVKPBYJWSA-N 1 0 291.132 2.062 10 0 CEAERO Cc1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)n1C ZINC000053372680 362491983 /nfs/dbraw/zinc/49/19/83/362491983.db2.gz VJNNOQMHEAWDPX-HNNXBMFYSA-N 1 0 285.391 2.366 10 0 CEAERO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2CCCO)c(C)c1 ZINC000052762119 362474172 /nfs/dbraw/zinc/47/41/72/362474172.db2.gz MIFNCVFSFINSCO-OAHLLOKOSA-N 1 0 290.407 2.479 10 0 CEAERO [NH3+]Cc1cnc(Br)cc1OC(F)(F)F ZINC000238692201 344607657 /nfs/dbraw/zinc/60/76/57/344607657.db2.gz KNVJBEHLTYNVJN-UHFFFAOYSA-N 1 0 271.036 2.201 10 0 CEAERO CCO[C@@H]1C[C@H](NC(=O)[C@H]2CC[C@H]([NH3+])C2)C1(CC)CC ZINC000262606209 344654753 /nfs/dbraw/zinc/65/47/53/344654753.db2.gz BNTFPLTZQDIZPJ-XDQVBPFNSA-N 1 0 282.428 2.214 10 0 CEAERO O[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000251539208 344636603 /nfs/dbraw/zinc/63/66/03/344636603.db2.gz YDTLXLHBKIUTQP-BFHYXJOUSA-N 1 0 285.453 2.324 10 0 CEAERO [NH3+]CC/C=C/c1ncc(I)s1 ZINC000307349583 344721924 /nfs/dbraw/zinc/72/19/24/344721924.db2.gz SGNMSOLJXPVEPG-HNQUOIGGSA-N 1 0 280.134 2.110 10 0 CEAERO C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000307655305 344724013 /nfs/dbraw/zinc/72/40/13/344724013.db2.gz OGQOGEGOIVBPHZ-GRYCIOLGSA-N 1 0 254.374 2.241 10 0 CEAERO Cc1sc2nc(C)nc(N(C)CCC[NH3+])c2c1C ZINC000311195486 344733241 /nfs/dbraw/zinc/73/32/41/344733241.db2.gz HXWWTBOHKSTMLF-UHFFFAOYSA-N 1 0 264.398 2.402 10 0 CEAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](O)COCc1cccs1 ZINC000300583109 344700547 /nfs/dbraw/zinc/70/05/47/344700547.db2.gz LGGHGPPHFYFYRU-DYEKYZERSA-N 1 0 269.410 2.404 10 0 CEAERO [NH3+]CCNc1cc(I)ccc1Cl ZINC000306267766 344712901 /nfs/dbraw/zinc/71/29/01/344712901.db2.gz JBUWUFDFPZSYOG-UHFFFAOYSA-N 1 0 296.539 2.315 10 0 CEAERO C[NH2+][C@H](C)c1nc2cncc(Br)c2[nH]1 ZINC000306744059 344716952 /nfs/dbraw/zinc/71/69/52/344716952.db2.gz HZSGGCUKVUIEQN-RXMQYKEDSA-N 1 0 255.119 2.001 10 0 CEAERO c1c(CN(C[C@H]2CCC[NH2+]2)C2CC2)nc2ccccn12 ZINC000328654683 344757926 /nfs/dbraw/zinc/75/79/26/344757926.db2.gz XQOHXTGHQQRRRM-CYBMUJFWSA-N 1 0 270.380 2.051 10 0 CEAERO C[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1CCc2nccn2C1 ZINC000328622634 344755790 /nfs/dbraw/zinc/75/57/90/344755790.db2.gz BKJDGFAUVSXEIU-ZFWWWQNUSA-N 1 0 277.412 2.240 10 0 CEAERO NC(=O)c1csc(CN(C[C@@H]2CCC[NH2+]2)C2CC2)c1 ZINC000328620711 344755927 /nfs/dbraw/zinc/75/59/27/344755927.db2.gz AAKPGBSEMCFPNS-NSHDSACASA-N 1 0 279.409 2.348 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)c2cc(C3CCCCC3)n[nH]2)C1 ZINC000128734724 365802505 /nfs/dbraw/zinc/80/25/05/365802505.db2.gz JTDJXWJUVRDIOW-ZDUSSCGKSA-N 1 0 290.411 2.234 10 0 CEAERO CCOC(=O)CC[C@@H](O)C[NH2+][C@H](C)c1cccc(C)c1 ZINC000385458747 344830213 /nfs/dbraw/zinc/83/02/13/344830213.db2.gz VHDRTVKNMSWALC-UKRRQHHQSA-N 1 0 279.380 2.350 10 0 CEAERO C[C@H]([NH2+]C1CCN(CCO)CC1)c1cccc(Cl)c1 ZINC000398999706 344856458 /nfs/dbraw/zinc/85/64/58/344856458.db2.gz RMVVPYACVCTXLA-LBPRGKRZSA-N 1 0 282.815 2.447 10 0 CEAERO Fc1ccc(Cl)cc1CN1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404246162 344878600 /nfs/dbraw/zinc/87/86/00/344878600.db2.gz GAZTZDVUHCDBQV-ZIAGYGMSSA-N 1 0 284.762 2.042 10 0 CEAERO O=[S@@](CCC[NH2+]C1CC1)c1cc(F)ccc1F ZINC000084037558 178776559 /nfs/dbraw/zinc/77/65/59/178776559.db2.gz PYCFMXWIHLKNMT-QGZVFWFLSA-N 1 0 259.321 2.215 10 0 CEAERO CCC[NH2+][C@H](C)C[S@](=O)c1cc(F)ccc1F ZINC000084037766 178776751 /nfs/dbraw/zinc/77/67/51/178776751.db2.gz CWBHFZYBDRLOPK-VVVCHXIZSA-N 1 0 261.337 2.461 10 0 CEAERO C[NH2+][C@H](C[S@@](C)=O)c1cccc(C(F)(F)F)c1 ZINC000084045875 178777549 /nfs/dbraw/zinc/77/75/49/178777549.db2.gz WILWVLGQJBIBRY-QGHHPUGFSA-N 1 0 265.300 2.344 10 0 CEAERO Cc1ccc([Si](C)(C)c2ccc(CC[NH3+])cc2)cc1 ZINC000584595067 344961095 /nfs/dbraw/zinc/96/10/95/344961095.db2.gz YHICUCOKMYJSQI-UHFFFAOYSA-N 1 0 269.464 2.319 10 0 CEAERO CCc1cc(C)cc(OC[C@H](O)C[NH2+]C(C)C)c1 ZINC000584627816 344968888 /nfs/dbraw/zinc/96/88/88/344968888.db2.gz GIOKTZOFYXVPAH-CQSZACIVSA-N 1 0 251.370 2.295 10 0 CEAERO CN1C(=O)[C@H]([NH3+])[C@@H]2CCCC[C@@H]2[C@@H]2CCCC[C@H]21 ZINC000584640104 344972052 /nfs/dbraw/zinc/97/20/52/344972052.db2.gz PKGATXGVSMIGRV-XVIXHAIJSA-N 1 0 250.386 2.151 10 0 CEAERO Cc1ccc([C@H]2NC(=[NH2+])Nc3c4cccnc4nn32)cc1 ZINC000584653146 344973777 /nfs/dbraw/zinc/97/37/77/344973777.db2.gz DXVWXKNJGPXHHM-ZDUSSCGKSA-N 1 0 278.319 2.236 10 0 CEAERO [NH3+]CCCc1nnc(-c2cncc(Br)c2)s1 ZINC000084117160 178795402 /nfs/dbraw/zinc/79/54/02/178795402.db2.gz NPPGEYQPIMPZAQ-UHFFFAOYSA-N 1 0 299.197 2.254 10 0 CEAERO CNc1c(N)c[nH+]c2c(Br)ccc(C)c12 ZINC000584882436 344996518 /nfs/dbraw/zinc/99/65/18/344996518.db2.gz HENLEEOIVDRMDN-UHFFFAOYSA-N 1 0 266.142 2.352 10 0 CEAERO CN(Cc1ccccc1F)C(=O)CC1([NH3+])CCCC1 ZINC000084164419 178810884 /nfs/dbraw/zinc/81/08/84/178810884.db2.gz JXNOYTQEKIRYAC-UHFFFAOYSA-N 1 0 264.344 2.446 10 0 CEAERO C[NH2+][C@H](C)C(=O)N[C@@H](C)Cc1ccc(Br)cc1 ZINC000054073641 362508919 /nfs/dbraw/zinc/50/89/19/362508919.db2.gz XDMDTSYUKOECKM-VHSXEESVSA-N 1 0 299.212 2.104 10 0 CEAERO Cc1cccc(F)c1NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000225030152 539441588 /nfs/dbraw/zinc/44/15/88/539441588.db2.gz XESMNYUASSNHMV-QWRGUYRKSA-N 1 0 250.317 2.448 10 0 CEAERO CN(c1ncccc1Br)[C@H]1CCC[C@@H]1C[NH3+] ZINC000084214173 178826705 /nfs/dbraw/zinc/82/67/05/178826705.db2.gz SYQOJTLOOWWCBJ-KOLCDFICSA-N 1 0 284.201 2.408 10 0 CEAERO Cc1ccc(C)c(S(=O)(=O)[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000084268268 178834965 /nfs/dbraw/zinc/83/49/65/178834965.db2.gz FTXRCPUPHUZRMP-OLZOCXBDSA-N 1 0 267.394 2.205 10 0 CEAERO CC(=O)Nc1ccc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1C ZINC000097093573 185528971 /nfs/dbraw/zinc/52/89/71/185528971.db2.gz NENAEKJSNKGDRZ-NWDGAFQWSA-N 1 0 275.352 2.019 10 0 CEAERO CCOC(=O)[C@@](C)(N)C[C@H](C)[N@H+](CC(C)C)C1CC1 ZINC000084345839 178859575 /nfs/dbraw/zinc/85/95/75/178859575.db2.gz BRYNOFSVSWAKOZ-WFASDCNBSA-N 1 0 270.417 2.166 10 0 CEAERO CCc1nn(C)c(C[C@H]2CCC[NH2+]2)c1Br ZINC000084297231 178848523 /nfs/dbraw/zinc/84/85/23/178848523.db2.gz SOJDCXUPQMOPDZ-MRVPVSSYSA-N 1 0 272.190 2.040 10 0 CEAERO CCc1nn(C)c(CCCC[NH3+])c1Br ZINC000084297348 178848659 /nfs/dbraw/zinc/84/86/59/178848659.db2.gz AXRMROQSVKCTQL-UHFFFAOYSA-N 1 0 260.179 2.026 10 0 CEAERO CCC[NH+](CCC)[C@H](C)C[C@@](C)(NC)C(=O)OCC ZINC000084302711 178851072 /nfs/dbraw/zinc/85/10/72/178851072.db2.gz ORCNHNHBYGOVQI-UKRRQHHQSA-N 1 0 272.433 2.428 10 0 CEAERO CCCC1CC[NH+]([C@H](C)C[C@@](C)(N)C(=O)OC)CC1 ZINC000084353188 178865046 /nfs/dbraw/zinc/86/50/46/178865046.db2.gz QWAAZMYAGHGPBZ-IUODEOHRSA-N 1 0 270.417 2.168 10 0 CEAERO CCC[NH2+][C@H](c1c(C)nn(C)c1C)[C@@H]1CCOC1 ZINC000097181712 185557660 /nfs/dbraw/zinc/55/76/60/185557660.db2.gz HLCWBVXOPGSRAA-OCCSQVGLSA-N 1 0 251.374 2.114 10 0 CEAERO CCC[NH2+][C@@H](Cc1c(C)nn(C)c1C)c1ccnn1C ZINC000097187242 185558020 /nfs/dbraw/zinc/55/80/20/185558020.db2.gz CLNQILJTTWTHNA-AWEZNQCLSA-N 1 0 275.400 2.054 10 0 CEAERO Cc1c([C@H]([NH3+])CCc2ccc3c(c2)CCO3)cnn1C ZINC000097197008 185558666 /nfs/dbraw/zinc/55/86/66/185558666.db2.gz QBZZXXCGVCRKDE-OAHLLOKOSA-N 1 0 271.364 2.296 10 0 CEAERO CCc1nn(C)c(C[C@](C)(O)C[NH2+]CC(C)C)c1Cl ZINC000097210930 185564694 /nfs/dbraw/zinc/56/46/94/185564694.db2.gz SZJPZHZTKMRQHM-AWEZNQCLSA-N 1 0 287.835 2.175 10 0 CEAERO Cc1nn(C)c(C)c1C[C@@H]([NH3+])CCC[C@H]1CCCO1 ZINC000097235683 185569639 /nfs/dbraw/zinc/56/96/39/185569639.db2.gz GCMLHXMBDVCXOB-KBPBESRZSA-N 1 0 265.401 2.256 10 0 CEAERO CCc1cc(C[C@@H]([NH3+])[C@@H]2OCCc3ccccc32)n(C)n1 ZINC000097276723 185576736 /nfs/dbraw/zinc/57/67/36/185576736.db2.gz ULIQVQIPEQRHRK-IAGOWNOFSA-N 1 0 285.391 2.166 10 0 CEAERO C[NH2+][C@@H](c1ccnnc1)[C@@H]1CCOC2(CCSCC2)C1 ZINC000097340609 185587040 /nfs/dbraw/zinc/58/70/40/185587040.db2.gz SBIPWLYYPLMTMS-TZMCWYRMSA-N 1 0 293.436 2.430 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@H](C)C2CCCCC2)C1 ZINC000149476408 539501338 /nfs/dbraw/zinc/50/13/38/539501338.db2.gz TXPRUDMVHMKTCW-UKRRQHHQSA-N 1 0 254.418 2.266 10 0 CEAERO CCC[NH2+][C@H](CC[C@H](C)OC)c1nccnc1OC ZINC000097388082 185596318 /nfs/dbraw/zinc/59/63/18/185596318.db2.gz KEZDCOXEHRYPTR-NWDGAFQWSA-N 1 0 267.373 2.341 10 0 CEAERO CCc1nnc(C[N@@H+]2CC[C@@H](CC(C)C)C2)n1C ZINC000173909842 232284955 /nfs/dbraw/zinc/28/49/55/232284955.db2.gz LLJAPGXBDAIQPY-LBPRGKRZSA-N 1 0 250.390 2.246 10 0 CEAERO Cc1nn(C)c(Cl)c1C[C@H]([NH3+])CCc1ccccn1 ZINC000097414921 185598724 /nfs/dbraw/zinc/59/87/24/185598724.db2.gz YHEANDTUGNWBGC-LLVKDONJSA-N 1 0 278.787 2.280 10 0 CEAERO C[C@@H]1CN(c2ccc(Br)cn2)C[C@@]1(C)C[NH3+] ZINC000309447797 201858954 /nfs/dbraw/zinc/85/89/54/201858954.db2.gz PXWBWMRXVXXGCT-BXKDBHETSA-N 1 0 284.201 2.265 10 0 CEAERO CC(C)[NH2+]C[C@H](O)Cc1cc(Br)ccc1F ZINC000084993640 178941327 /nfs/dbraw/zinc/94/13/27/178941327.db2.gz WVSOFBLONNDTHJ-LLVKDONJSA-N 1 0 290.176 2.490 10 0 CEAERO CCN(CC)CC[NH2+][C@@]1(CO)C[C@H](C)CC[C@@H]1C ZINC000085114520 178951444 /nfs/dbraw/zinc/95/14/44/178951444.db2.gz AYFFZXRICFFLPI-QLFBSQMISA-N 1 0 256.434 2.105 10 0 CEAERO COc1ccc(CC[C@](C)(CCO)[C@H](C)[NH3+])cc1 ZINC000097434894 185603494 /nfs/dbraw/zinc/60/34/94/185603494.db2.gz AZWXPJOEZLNBGR-SWLSCSKDSA-N 1 0 251.370 2.364 10 0 CEAERO COC(=O)C[C@H](C[NH3+])c1ccc2cc(OC)ccc2c1 ZINC000097430459 185601284 /nfs/dbraw/zinc/60/12/84/185601284.db2.gz GAEZBSBQCBFXHX-CQSZACIVSA-N 1 0 273.332 2.454 10 0 CEAERO Cc1cccc(NC[C@H]2CCN(Cc3csnn3)C2)[nH+]1 ZINC000128283058 187361792 /nfs/dbraw/zinc/36/17/92/187361792.db2.gz GHCNSZKEYSUDSF-GFCCVEGCSA-N 1 0 289.408 2.176 10 0 CEAERO CCN(Cc1ccn(C2CCCC2)n1)[C@@H]1CC[NH2+]C1 ZINC000085180923 178964453 /nfs/dbraw/zinc/96/44/53/178964453.db2.gz RQJCMJBMFNSIFI-OAHLLOKOSA-N 1 0 262.401 2.182 10 0 CEAERO CCO[C@@H](C)[C@H]([NH3+])Cc1ccn(C2CCCC2)n1 ZINC000085183537 178965891 /nfs/dbraw/zinc/96/58/91/178965891.db2.gz AXGFFMLCABWRQY-SMDDNHRTSA-N 1 0 251.374 2.293 10 0 CEAERO CCC1(C)CCN(C[C@@](C)(CO)[NH2+]C(C)C)CC1 ZINC000085212830 178977291 /nfs/dbraw/zinc/97/72/91/178977291.db2.gz CYFOWJUEADBRRI-HNNXBMFYSA-N 1 0 256.434 2.248 10 0 CEAERO CC(C)C[C@@H](C[NH3+])C(=O)N1CCN(C)c2ccccc21 ZINC000094700440 136514626 /nfs/dbraw/zinc/51/46/26/136514626.db2.gz GPOLIMUHSDDVID-ZDUSSCGKSA-N 1 0 275.396 2.090 10 0 CEAERO CC[C@@](C)([C@H](Cc1ccc2ccccc2n1)NN)[NH+](C)C ZINC000097582919 185631042 /nfs/dbraw/zinc/63/10/42/185631042.db2.gz JKKYYEODBAGMDB-IRXDYDNUSA-N 1 0 286.423 2.340 10 0 CEAERO CCCn1nccc1[C@H](NN)[C@](C)(CC)[NH+]1CCCCC1 ZINC000097585130 185632358 /nfs/dbraw/zinc/63/23/58/185632358.db2.gz IGSGDFRPUKMCNM-HOTGVXAUSA-N 1 0 293.459 2.452 10 0 CEAERO C[NH+](C)C1([C@H](NN)[C@H]2CCOC3(CCC3)C2)CCCC1 ZINC000097587841 185633123 /nfs/dbraw/zinc/63/31/23/185633123.db2.gz MFVMSIIRFJFWSA-UONOGXRCSA-N 1 0 281.444 2.042 10 0 CEAERO CCOc1ccccc1OCC[C@@H](CO)[NH2+]C(C)C ZINC000085283773 179001528 /nfs/dbraw/zinc/00/15/28/179001528.db2.gz CJJPQGAKTXLTDK-ZDUSSCGKSA-N 1 0 267.369 2.213 10 0 CEAERO Cc1cccc(OCC[C@@H](CO)[NH2+]C(C)C)c1C ZINC000085283905 179001690 /nfs/dbraw/zinc/00/16/90/179001690.db2.gz AEZLUICDHIHCOA-AWEZNQCLSA-N 1 0 251.370 2.431 10 0 CEAERO CC[NH2+][C@H](CO)COc1ccc(C(C)C)c(C)c1 ZINC000085284251 179002021 /nfs/dbraw/zinc/00/20/21/179002021.db2.gz OYBBSLULGTYPFZ-CYBMUJFWSA-N 1 0 251.370 2.468 10 0 CEAERO Cc1cc(C)c(OCC[C@H](CO)[NH2+]C2CC2)c(C)c1 ZINC000085266691 178996956 /nfs/dbraw/zinc/99/69/56/178996956.db2.gz KKUPHMXPPYXXNK-OAHLLOKOSA-N 1 0 263.381 2.494 10 0 CEAERO CCC[NH2+][C@@](C)(CO)CCOc1ccc(F)c(F)c1 ZINC000085286741 179004077 /nfs/dbraw/zinc/00/40/77/179004077.db2.gz ZAGRIBPAMFMAKU-CQSZACIVSA-N 1 0 273.323 2.484 10 0 CEAERO CCCOc1ccc(O[C@H](C)C[C@@](C)([NH3+])CO)cc1 ZINC000085286157 179004128 /nfs/dbraw/zinc/00/41/28/179004128.db2.gz YVZGSZOIIJFAJU-IUODEOHRSA-N 1 0 267.369 2.343 10 0 CEAERO CCC[NH2+][C@](C)(CO)C[C@@H](C)Sc1nccc(C)n1 ZINC000085287896 179005274 /nfs/dbraw/zinc/00/52/74/179005274.db2.gz TZFGPOURUILYIC-OCCSQVGLSA-N 1 0 283.441 2.406 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCCCSCCCOC ZINC000085290035 179005800 /nfs/dbraw/zinc/00/58/00/179005800.db2.gz YOFFGWYUECIWPX-CYBMUJFWSA-N 1 0 263.447 2.287 10 0 CEAERO C[C@H](C[C@@](C)([NH3+])CO)Sc1nc2ccccc2[nH]1 ZINC000085291691 179007168 /nfs/dbraw/zinc/00/71/68/179007168.db2.gz XGXOGWFGDAJEAS-NOZJJQNGSA-N 1 0 265.382 2.143 10 0 CEAERO CC[NH2+][C@](C)(CO)CSc1ccc(OC)cc1 ZINC000085291965 179007569 /nfs/dbraw/zinc/00/75/69/179007569.db2.gz PWMWLGVQAGOZMC-CYBMUJFWSA-N 1 0 255.383 2.148 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)C[C@H](C)Sc1nncs1 ZINC000085292487 179007629 /nfs/dbraw/zinc/00/76/29/179007629.db2.gz ZEGGDVKSCVHRTE-ONGXEEELSA-N 1 0 275.443 2.158 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)C[C@H](C)Sc1nncs1 ZINC000085292490 179007842 /nfs/dbraw/zinc/00/78/42/179007842.db2.gz ZEGGDVKSCVHRTE-GXSJLCMTSA-N 1 0 275.443 2.158 10 0 CEAERO [NH3+][C@@](CO)(CSc1nc2ccccc2o1)C1CC1 ZINC000085292357 179008038 /nfs/dbraw/zinc/00/80/38/179008038.db2.gz RZZMGCXCYDGMCZ-ZDUSSCGKSA-N 1 0 264.350 2.020 10 0 CEAERO C[C@H]([N@H+](C)C[C@@](O)(CN)c1ccccc1)C(C)(C)C ZINC000085300704 179010645 /nfs/dbraw/zinc/01/06/45/179010645.db2.gz LESWKKDJTKZQQT-BBRMVZONSA-N 1 0 264.413 2.199 10 0 CEAERO CCc1ccc(N(C)CCC[C@@](C)(O)C[NH3+])cc1 ZINC000085303607 179011064 /nfs/dbraw/zinc/01/10/64/179011064.db2.gz QOGZEFFAPXYCNW-OAHLLOKOSA-N 1 0 250.386 2.175 10 0 CEAERO COc1ccc(OC[C@](C)(O)C[NH3+])c(C(C)(C)C)c1 ZINC000085306420 179012380 /nfs/dbraw/zinc/01/23/80/179012380.db2.gz DDPMNHNCWWIDAN-OAHLLOKOSA-N 1 0 267.369 2.081 10 0 CEAERO Cc1cc(C(C)(C)C)ccc1OC[C@](C)(O)C[NH3+] ZINC000085307572 179012803 /nfs/dbraw/zinc/01/28/03/179012803.db2.gz WPRBLZWRHPMUJD-OAHLLOKOSA-N 1 0 251.370 2.381 10 0 CEAERO C[C@](O)(C[NH3+])CCSc1nc2ccccc2o1 ZINC000085308662 179013364 /nfs/dbraw/zinc/01/33/64/179013364.db2.gz XFWSOWQLUGNOOB-GFCCVEGCSA-N 1 0 252.339 2.020 10 0 CEAERO C[C@H](C[C@](C)(O)C[NH3+])Sc1ncnc2ccccc21 ZINC000085320450 179013807 /nfs/dbraw/zinc/01/38/07/179013807.db2.gz SCVFVIUGPSTAAN-YGRLFVJLSA-N 1 0 277.393 2.210 10 0 CEAERO [NH3+]CCCSCc1nnc(-c2cccs2)o1 ZINC000085316105 179013934 /nfs/dbraw/zinc/01/39/34/179013934.db2.gz MMQQKWGEGFOMCF-UHFFFAOYSA-N 1 0 255.368 2.380 10 0 CEAERO CC[C@@H]1CCCC[N@@H+]1C[C@@](O)(CN)c1ccccc1 ZINC000085300046 179010358 /nfs/dbraw/zinc/01/03/58/179010358.db2.gz AMAKNHUCQVUPIU-CVEARBPZSA-N 1 0 262.397 2.097 10 0 CEAERO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(C)cc2C)C1 ZINC000060510984 362665067 /nfs/dbraw/zinc/66/50/67/362665067.db2.gz PXTQNSXRCNXJBD-AWEZNQCLSA-N 1 0 296.436 2.066 10 0 CEAERO COc1ccc(NC(=O)[C@H]2CCCC[C@H]2[NH3+])c(OC)c1 ZINC000085355414 179030473 /nfs/dbraw/zinc/03/04/73/179030473.db2.gz KFUQLJYKSIOHAY-NWDGAFQWSA-N 1 0 278.352 2.160 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])c1ccc(F)c(F)c1 ZINC000085360636 179033133 /nfs/dbraw/zinc/03/31/33/179033133.db2.gz MZAZOIAZPHLWCU-PLMOITTCSA-N 1 0 268.307 2.269 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)Nc1ccccc1N1CCCC1 ZINC000085360951 179033194 /nfs/dbraw/zinc/03/31/94/179033194.db2.gz AUNVGZGAVPLDAD-OLZOCXBDSA-N 1 0 273.380 2.353 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1ccccc1-n1cccn1 ZINC000085362162 179033590 /nfs/dbraw/zinc/03/35/90/179033590.db2.gz HPFCHDBBNAGORN-STQMWFEESA-N 1 0 284.363 2.328 10 0 CEAERO COc1cc(C)c(NC(=O)[C@@H]2CCC[C@H]2[NH3+])cc1OC ZINC000085362605 179034105 /nfs/dbraw/zinc/03/41/05/179034105.db2.gz JEPMXVHDUPKOFW-GHMZBOCLSA-N 1 0 278.352 2.078 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCOc2ccccc21 ZINC000085363212 179034531 /nfs/dbraw/zinc/03/45/31/179034531.db2.gz ZQZXYKNKDDGHHF-FPMFFAJLSA-N 1 0 274.364 2.144 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000085363097 179034603 /nfs/dbraw/zinc/03/46/03/179034603.db2.gz XTFDDPIOXFFDBQ-QWHCGFSZSA-N 1 0 270.336 2.143 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1cccc2c[nH]nc21 ZINC000085364480 179035155 /nfs/dbraw/zinc/03/51/55/179035155.db2.gz KCUFZRCVDFRJGZ-MNOVXSKESA-N 1 0 258.325 2.019 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000085364603 179035837 /nfs/dbraw/zinc/03/58/37/179035837.db2.gz SMSMHZXFYBVUMD-LSDHHAIUSA-N 1 0 273.380 2.353 10 0 CEAERO C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085356527 179030204 /nfs/dbraw/zinc/03/02/04/179030204.db2.gz OWCRXEPNOLUANL-YUTCNCBUSA-N 1 0 258.365 2.482 10 0 CEAERO COc1ccc(CN(C)C(=O)[C@@H]2CCCC[C@H]2[NH3+])cc1F ZINC000085365375 179036758 /nfs/dbraw/zinc/03/67/58/179036758.db2.gz DRJRZLBKQSGEOP-TZMCWYRMSA-N 1 0 294.370 2.310 10 0 CEAERO CN(Cc1ccccc1Cl)C(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085366601 179036969 /nfs/dbraw/zinc/03/69/69/179036969.db2.gz JGNOITNTGVERIL-WCQYABFASA-N 1 0 266.772 2.426 10 0 CEAERO CSc1ccc(CN(C)C(=O)[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000085366673 179037202 /nfs/dbraw/zinc/03/72/02/179037202.db2.gz GLNHTTKJONDIOW-ZIAGYGMSSA-N 1 0 278.421 2.494 10 0 CEAERO Cc1ccsc1CN(C)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085367943 179037402 /nfs/dbraw/zinc/03/74/02/179037402.db2.gz AVNUSBVODREVDG-MNOVXSKESA-N 1 0 252.383 2.142 10 0 CEAERO Cc1ccc(OCCN(C)C(=O)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000085367376 179037441 /nfs/dbraw/zinc/03/74/41/179037441.db2.gz YWZLZEKCVQROFS-JKSUJKDBSA-N 1 0 290.407 2.350 10 0 CEAERO CN(Cc1ccc(F)cc1F)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085367740 179037450 /nfs/dbraw/zinc/03/74/50/179037450.db2.gz GJGAODRHHPFYOM-GXTWGEPZSA-N 1 0 282.334 2.441 10 0 CEAERO CN(CCOc1cccc(Cl)c1)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085367365 179037594 /nfs/dbraw/zinc/03/75/94/179037594.db2.gz BMOYRXRRSGXUOX-KBPBESRZSA-N 1 0 296.798 2.305 10 0 CEAERO Cc1ccc(CN(C)C(=O)[C@H]2CCC[C@H]2[NH3+])c(C)c1 ZINC000085367969 179037722 /nfs/dbraw/zinc/03/77/22/179037722.db2.gz RMKHBGLYXKGSAF-LSDHHAIUSA-N 1 0 260.381 2.389 10 0 CEAERO Cc1ccc(CN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C2CC2)o1 ZINC000085368682 179038596 /nfs/dbraw/zinc/03/85/96/179038596.db2.gz WEMNGIRZOKAMOG-KGLIPLIRSA-N 1 0 262.353 2.206 10 0 CEAERO Cc1cccc(OCCN(C)C(=O)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000085368779 179038668 /nfs/dbraw/zinc/03/86/68/179038668.db2.gz YBFIUXFYTCNSQY-HOTGVXAUSA-N 1 0 290.407 2.350 10 0 CEAERO CC(C)N(Cc1cccnc1)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085369171 179038773 /nfs/dbraw/zinc/03/87/73/179038773.db2.gz DPVDVHGJPKOWDM-LSDHHAIUSA-N 1 0 275.396 2.336 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)N(Cc1cccc(O)c1)C1CC1 ZINC000085369295 179039135 /nfs/dbraw/zinc/03/91/35/179039135.db2.gz ABQOIYAYHIWKDY-JKSUJKDBSA-N 1 0 288.391 2.401 10 0 CEAERO Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1 ZINC000189135321 232460172 /nfs/dbraw/zinc/46/01/72/232460172.db2.gz BBGMJEGJIHDFDU-AWEZNQCLSA-N 1 0 298.452 2.250 10 0 CEAERO C[C@@H](CNC(=O)[C@H]1CCCC[C@@H]1[NH3+])c1ccccc1 ZINC000085372058 179041879 /nfs/dbraw/zinc/04/18/79/179041879.db2.gz OEMHZUPVJNAEPE-QEJZJMRPSA-N 1 0 260.381 2.424 10 0 CEAERO COc1ccc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])cc1C ZINC000085372627 179042342 /nfs/dbraw/zinc/04/23/42/179042342.db2.gz ICLVTJHDYAYQLY-STQMWFEESA-N 1 0 262.353 2.460 10 0 CEAERO CN(C(=O)[C@H]1CCCC[C@H]1[NH3+])c1ccccc1F ZINC000085373578 179042615 /nfs/dbraw/zinc/04/26/15/179042615.db2.gz VJKABRHKSGSFME-CMPLNLGQSA-N 1 0 250.317 2.306 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCc2ccccc2C1 ZINC000085373897 179042898 /nfs/dbraw/zinc/04/28/98/179042898.db2.gz FHPGGBCMRRNCCR-PMPSAXMXSA-N 1 0 272.392 2.178 10 0 CEAERO CCO[C@H]1C[C@H]([NH2+]C2CCN(C(=O)C3CC3)CC2)C1(C)C ZINC000085384786 179046106 /nfs/dbraw/zinc/04/61/06/179046106.db2.gz DZPHSTPXFZBAHH-GJZGRUSLSA-N 1 0 294.439 2.181 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2nnc3n2CCC3)C1(C)C ZINC000085384799 179046444 /nfs/dbraw/zinc/04/64/44/179046444.db2.gz UZXGLJVMRLLWEB-SDDRHHMPSA-N 1 0 278.400 2.079 10 0 CEAERO COCCOCCC[NH2+][C@H]1C[C@H](OCC(C)C)C1(C)C ZINC000085399857 179051946 /nfs/dbraw/zinc/05/19/46/179051946.db2.gz JKHLBZYTWWYTHR-GJZGRUSLSA-N 1 0 287.444 2.469 10 0 CEAERO CC(C)CO[C@H]1C[C@@H]([NH2+]C[C@@H]2CCOC2)C1(C)C ZINC000085400679 179051949 /nfs/dbraw/zinc/05/19/49/179051949.db2.gz KIIUKQMWZYOKDM-MJBXVCDLSA-N 1 0 255.402 2.452 10 0 CEAERO CCC[NH2+][C@H](Cc1cc(F)ccc1C)[C@@H]1COCCO1 ZINC000097859970 185673800 /nfs/dbraw/zinc/67/38/00/185673800.db2.gz RTNAXBYOJNNDOT-CVEARBPZSA-N 1 0 281.371 2.460 10 0 CEAERO C[C@@H]([NH2+]C(C)(C)C(N)=O)c1cnc2ccsc2c1 ZINC000085433708 179061487 /nfs/dbraw/zinc/06/14/87/179061487.db2.gz NCQSGKTUWFOBEE-MRVPVSSYSA-N 1 0 263.366 2.211 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2CCC[C@@H]1OC1COC1 ZINC000098063233 185680088 /nfs/dbraw/zinc/68/00/88/185680088.db2.gz WJDGLVVEQGNTDN-HOTGVXAUSA-N 1 0 261.365 2.458 10 0 CEAERO CC(C)[C@H]1CN([C@@H]2CCOC2)C2(CCCC2)C[NH2+]1 ZINC000085468379 179073283 /nfs/dbraw/zinc/07/32/83/179073283.db2.gz WTCMSBHGPPJIRS-ZIAGYGMSSA-N 1 0 252.402 2.018 10 0 CEAERO Fc1cccc(CN2CC[NH2+]C[C@@H]2C2CC2)c1F ZINC000085451323 179065272 /nfs/dbraw/zinc/06/52/72/179065272.db2.gz AGCFQHSEGDFSHJ-CYBMUJFWSA-N 1 0 252.308 2.149 10 0 CEAERO CC(C)OCCN1CC[NH2+]C[C@@]1(C)c1ccccc1 ZINC000085452618 179065984 /nfs/dbraw/zinc/06/59/84/179065984.db2.gz HZFPBSLTBIQTJY-INIZCTEOSA-N 1 0 262.397 2.232 10 0 CEAERO CCC1(CC)C[NH2+]CCN1CCOCC(F)(F)F ZINC000085452108 179066484 /nfs/dbraw/zinc/06/64/84/179066484.db2.gz SPOVKJAEZNDNAN-UHFFFAOYSA-N 1 0 268.323 2.029 10 0 CEAERO CCC[C@H]1C[NH2+][C@@H](C)CN1CCOCC(F)(F)F ZINC000085453417 179066822 /nfs/dbraw/zinc/06/68/22/179066822.db2.gz UPMMIVJEDGVXOZ-QWRGUYRKSA-N 1 0 268.323 2.028 10 0 CEAERO CCC1(CC)C[NH2+][C@H](C)CN1CCn1ccnc1C ZINC000085454308 179066943 /nfs/dbraw/zinc/06/69/43/179066943.db2.gz WLBZIWZTAMGULA-CYBMUJFWSA-N 1 0 264.417 2.044 10 0 CEAERO C[C@@H]1C[N@H+]([C@@H]2CCOC2)[C@H](C2CCCCC2)CN1 ZINC000085454588 179067584 /nfs/dbraw/zinc/06/75/84/179067584.db2.gz KSDFPRMDZVDBGG-YUELXQCFSA-N 1 0 252.402 2.018 10 0 CEAERO CCC[C@H]1CN(Cc2ncccn2)[C@H](C(C)C)C[NH2+]1 ZINC000085455211 179067614 /nfs/dbraw/zinc/06/76/14/179067614.db2.gz DEHIMYJRKFWVTE-KBPBESRZSA-N 1 0 262.401 2.075 10 0 CEAERO CCC[C@@H]1CN(C[C@@H]2CCCO2)[C@@H](CCC)C[NH2+]1 ZINC000085455117 179067931 /nfs/dbraw/zinc/06/79/31/179067931.db2.gz ZTKOKMFPDZXMCL-ILXRZTDVSA-N 1 0 254.418 2.408 10 0 CEAERO CCC[C@H]1C[NH2+][C@H](CC)CN1CCn1ccnc1C ZINC000085472659 179077031 /nfs/dbraw/zinc/07/70/31/179077031.db2.gz ZZKZQVDRYQARBI-CABCVRRESA-N 1 0 264.417 2.044 10 0 CEAERO CC[C@H](C)[C@@H]1C[NH2+][C@@H](CC)CN1Cc1cnn(C)c1 ZINC000085473119 179078219 /nfs/dbraw/zinc/07/82/19/179078219.db2.gz QFUYKTAYSBUKEV-QEJZJMRPSA-N 1 0 264.417 2.019 10 0 CEAERO CC[C@H]1C[N@H+](C[C@@H]2CCOC2)C2(CCCCC2)CN1 ZINC000085474991 179078475 /nfs/dbraw/zinc/07/84/75/179078475.db2.gz BDGALORIBOFPQM-GJZGRUSLSA-N 1 0 266.429 2.410 10 0 CEAERO CC[C@@H]1C[N@H+](C[C@@H]2CCCO2)C(CC)(CC)CN1 ZINC000085474684 179079110 /nfs/dbraw/zinc/07/91/10/179079110.db2.gz LADDDOYBBUJCLK-KGLIPLIRSA-N 1 0 254.418 2.408 10 0 CEAERO [NH3+][C@H](C[C@H](O)C(=O)OCc1ccccc1)c1ccccc1 ZINC000085484800 179080106 /nfs/dbraw/zinc/08/01/06/179080106.db2.gz WHVXRUXLNLPXOI-CVEARBPZSA-N 1 0 285.343 2.181 10 0 CEAERO CCC[C@H]1CN[C@@](C)(CC)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085495064 179081957 /nfs/dbraw/zinc/08/19/57/179081957.db2.gz IQMPHDQJCHSUSE-KKUMJFAQSA-N 1 0 254.418 2.408 10 0 CEAERO CCC[C@H]1CN[C@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085511497 179085856 /nfs/dbraw/zinc/08/58/56/179085856.db2.gz NIELSCJAZOLIOR-JYJNAYRXSA-N 1 0 266.429 2.408 10 0 CEAERO CC[C@H]1C[NH2+][C@](C)(C2CC2)CN1CCn1ccnc1C ZINC000085510338 179086061 /nfs/dbraw/zinc/08/60/61/179086061.db2.gz LSTCYUHNPPGNTL-HOTGVXAUSA-N 1 0 276.428 2.044 10 0 CEAERO CCC[C@@H]1C[NH2+][C@H](C2CC2)CN1Cc1ccncc1 ZINC000085523853 179088654 /nfs/dbraw/zinc/08/86/54/179088654.db2.gz YMTVCXAIZIZRGJ-CVEARBPZSA-N 1 0 259.397 2.434 10 0 CEAERO CCC1(CC)CN(Cc2cnn(C)c2)[C@@H](C(C)C)C[NH2+]1 ZINC000085518244 179087286 /nfs/dbraw/zinc/08/72/86/179087286.db2.gz NGUSDQDFXILWLW-OAHLLOKOSA-N 1 0 278.444 2.409 10 0 CEAERO CCC1(CC)CN(Cc2cnn(C)c2)C(C)(C)C[NH2+]1 ZINC000085520033 179087880 /nfs/dbraw/zinc/08/78/80/179087880.db2.gz NRZVKYVUUAIILO-UHFFFAOYSA-N 1 0 264.417 2.163 10 0 CEAERO CCC[C@H]1C[NH2+][C@@H](C2CC2)CN1CCn1ccnc1C ZINC000085523440 179088392 /nfs/dbraw/zinc/08/83/92/179088392.db2.gz XWTZZHQBEYXSOP-JKSUJKDBSA-N 1 0 276.428 2.044 10 0 CEAERO CCC[C@H]1CN[C@@H](C2CC2)C[N@@H+]1CC1CCOCC1 ZINC000085523790 179088400 /nfs/dbraw/zinc/08/84/00/179088400.db2.gz CBVZWGYSRIAPOR-JKSUJKDBSA-N 1 0 266.429 2.266 10 0 CEAERO CC[C@@H]1C[NH2+][C@](C)(CC)CN1Cc1cnn(CC)c1 ZINC000085494673 179082346 /nfs/dbraw/zinc/08/23/46/179082346.db2.gz UOSRYOZGKZAJCH-HUUCEWRRSA-N 1 0 264.417 2.256 10 0 CEAERO COCC[N@@H+]1CC2(CCCC2)NCC12CCCC2 ZINC000085498716 179083799 /nfs/dbraw/zinc/08/37/99/179083799.db2.gz JRRNWZWITLRYNZ-UHFFFAOYSA-N 1 0 252.402 2.164 10 0 CEAERO CC1(C)CNC2(CCCCC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085503534 179084005 /nfs/dbraw/zinc/08/40/05/179084005.db2.gz XTQBLTHHZSKMSN-AWEZNQCLSA-N 1 0 266.429 2.410 10 0 CEAERO C[C@H]1CN[C@@H](c2ccccc2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085504892 179084014 /nfs/dbraw/zinc/08/40/14/179084014.db2.gz NSOUFXSXWUXIBW-OFQRWUPVSA-N 1 0 260.381 2.058 10 0 CEAERO COCCC[N@@H+]1C[C@@H](c2ccccc2)NCC1(C)C ZINC000085507408 179084028 /nfs/dbraw/zinc/08/40/28/179084028.db2.gz YCMJZJKOTSMUFC-HNNXBMFYSA-N 1 0 262.397 2.448 10 0 CEAERO CC[C@@H]1CN[C@@H](c2ccccc2)C[N@@H+]1CCCOC ZINC000085505074 179084047 /nfs/dbraw/zinc/08/40/47/179084047.db2.gz LVARIEUJJBWUFO-HZPDHXFCSA-N 1 0 262.397 2.448 10 0 CEAERO CC(C)c1nc2c(n1[C@H]1CCCC[C@H]1O)CC[NH2+]C2 ZINC000085571302 179097522 /nfs/dbraw/zinc/09/75/22/179097522.db2.gz JHRZNOBDFNTYCP-UONOGXRCSA-N 1 0 263.385 2.128 10 0 CEAERO CC(C)(C)c1nc2c(n1[C@H]1CCCC[C@H]1O)CC[NH2+]C2 ZINC000085571270 179097604 /nfs/dbraw/zinc/09/76/04/179097604.db2.gz DWGNAHDOFSAZGM-UONOGXRCSA-N 1 0 277.412 2.302 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C2CC2)CN1Cc1ccn(C(C)C)n1 ZINC000085522759 179088834 /nfs/dbraw/zinc/08/88/34/179088834.db2.gz SQOLGAZZGWYULF-JKSUJKDBSA-N 1 0 276.428 2.426 10 0 CEAERO CC(C)[C@H]1C[NH2+][C@H](C2CC2)CN1CC(F)(F)F ZINC000085524574 179088958 /nfs/dbraw/zinc/08/89/58/179088958.db2.gz NBIAVMXCYQKICU-WDEREUQCSA-N 1 0 250.308 2.257 10 0 CEAERO CC1(C)[C@@H]([NH3+])C[C@@H]1Oc1cncc(Br)c1 ZINC000085526317 179089286 /nfs/dbraw/zinc/08/92/86/179089286.db2.gz XJYGHWFAAFBMMM-UWVGGRQHSA-N 1 0 271.158 2.349 10 0 CEAERO CC[C@@H](C)[C@@H]1CN[C@H](C2CC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085525371 179089505 /nfs/dbraw/zinc/08/95/05/179089505.db2.gz UFEDGZYRRFPVNJ-VRKREXBASA-N 1 0 266.429 2.121 10 0 CEAERO c1cc(CN2C[C@H](C3CC3)[NH2+]C[C@@H]2C2CC2)ccn1 ZINC000085526530 179089699 /nfs/dbraw/zinc/08/96/99/179089699.db2.gz FGRKKUWQAZATMC-HZPDHXFCSA-N 1 0 257.381 2.044 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@@H](C2CC2)CN1Cc1ccncc1 ZINC000085524719 179090013 /nfs/dbraw/zinc/09/00/13/179090013.db2.gz PKYUJCOSIKVYPL-CVEARBPZSA-N 1 0 259.397 2.290 10 0 CEAERO CCC1(CC)C[NH2+][C@@H](C2CC2)CN1[C@@H]1CCOC1 ZINC000085528862 179090716 /nfs/dbraw/zinc/09/07/16/179090716.db2.gz QBYKUFXMZPQNJI-ZIAGYGMSSA-N 1 0 252.402 2.018 10 0 CEAERO C[C@]1(C2CC2)C[NH2+][C@@H](C2CC2)CN1Cc1ccncc1 ZINC000085529498 179091538 /nfs/dbraw/zinc/09/15/38/179091538.db2.gz KRFXRDZQEXJXBJ-IAGOWNOFSA-N 1 0 271.408 2.434 10 0 CEAERO C[C@]1(C2CC2)C[NH2+][C@@H](C2CC2)CN1CC(F)(F)F ZINC000085529456 179091691 /nfs/dbraw/zinc/09/16/91/179091691.db2.gz OTNMASNLTSAVAE-VXGBXAGGSA-N 1 0 262.319 2.401 10 0 CEAERO C[C@@H]1C[NH2+][C@H](C2CCCCC2)CN1C[C@@H]1CCCO1 ZINC000085529672 179091826 /nfs/dbraw/zinc/09/18/26/179091826.db2.gz OUHPQCCIXKKKHO-KBMXLJTQSA-N 1 0 266.429 2.408 10 0 CEAERO [NH3+]Cc1cccc(SC[C@H](O)C(F)(F)F)c1 ZINC000085536767 179092590 /nfs/dbraw/zinc/09/25/90/179092590.db2.gz UPAHJQNSXKARLI-VIFPVBQESA-N 1 0 251.273 2.161 10 0 CEAERO CCNC(=O)c1cn(-c2ccccc2)nc1[C@@H]1CCC[NH2+]C1 ZINC000098209701 185699868 /nfs/dbraw/zinc/69/98/68/185699868.db2.gz BYKFRZRXLHWLPJ-CYBMUJFWSA-N 1 0 298.390 2.089 10 0 CEAERO C[C@@H]([NH3+])c1nc(CNCCC(F)(F)F)cs1 ZINC000085550432 179093106 /nfs/dbraw/zinc/09/31/06/179093106.db2.gz BWIFZKWGHHRQGJ-ZCFIWIBFSA-N 1 0 253.293 2.205 10 0 CEAERO FC(F)(F)Oc1cccc(-n2cnc3c2CC[NH2+]C3)c1 ZINC000085566996 179094898 /nfs/dbraw/zinc/09/48/98/179094898.db2.gz FVUBKWIAZDSRJA-UHFFFAOYSA-N 1 0 283.253 2.417 10 0 CEAERO CCc1nc2c(n1-c1cc(OC)cc(OC)c1)CC[NH2+]C2 ZINC000085568819 179095574 /nfs/dbraw/zinc/09/55/74/179095574.db2.gz IFZDTRNMYODOEP-UHFFFAOYSA-N 1 0 287.363 2.098 10 0 CEAERO Cc1nc2c(n1CCc1cccc(F)c1)CC[NH2+]C2 ZINC000085570250 179095852 /nfs/dbraw/zinc/09/58/52/179095852.db2.gz GOVIXSBMMZQFIU-UHFFFAOYSA-N 1 0 259.328 2.219 10 0 CEAERO CCOc1ccc(-n2c(C)nc3c2CC[NH2+]C3)cc1 ZINC000085569536 179096035 /nfs/dbraw/zinc/09/60/35/179096035.db2.gz NFMZHBUQSVZRSR-UHFFFAOYSA-N 1 0 257.337 2.225 10 0 CEAERO CCc1nc2c(n1[C@@H]1COc3ccccc31)CC[NH2+]C2 ZINC000085572054 179096885 /nfs/dbraw/zinc/09/68/85/179096885.db2.gz OFNYLDNYALVSDI-CQSZACIVSA-N 1 0 269.348 2.073 10 0 CEAERO COCCCCn1c(CC(C)C)nc2c1CC[NH2+]C2 ZINC000085572737 179097045 /nfs/dbraw/zinc/09/70/45/179097045.db2.gz AXCJLVXBBRJENP-UHFFFAOYSA-N 1 0 265.401 2.154 10 0 CEAERO C[C@@H]1CC[NH2+][C@@H](C(C)(C)C)CN1Cc1cnn(C)c1 ZINC000085624766 179106907 /nfs/dbraw/zinc/10/69/07/179106907.db2.gz WZWXVVWBWCFGCJ-TZMCWYRMSA-N 1 0 264.417 2.019 10 0 CEAERO C[C@H]1CCN[C@@](C)(C2CC2)C[N@@H+]1CC1CCOCC1 ZINC000085623894 179107059 /nfs/dbraw/zinc/10/70/59/179107059.db2.gz DXZYPSLJWLFJNJ-XJKSGUPXSA-N 1 0 266.429 2.266 10 0 CEAERO COc1cccc(CN2C[C@](C)(C3CC3)[NH2+]CC[C@@H]2C)n1 ZINC000085623711 179107250 /nfs/dbraw/zinc/10/72/50/179107250.db2.gz UQGYHICKJGNDLQ-SUMWQHHRSA-N 1 0 289.423 2.443 10 0 CEAERO CCc1nc2c(n1CCOCCC(C)C)CC[NH2+]C2 ZINC000085573790 179099037 /nfs/dbraw/zinc/09/90/37/179099037.db2.gz AUBNKRRRPWDSJQ-UHFFFAOYSA-N 1 0 265.401 2.154 10 0 CEAERO C[C@@H](Cn1cccn1)n1c2c(nc1C(C)(C)C)C[NH2+]CC2 ZINC000085574313 179099605 /nfs/dbraw/zinc/09/96/05/179099605.db2.gz LYEJTSIFWMQISH-LBPRGKRZSA-N 1 0 287.411 2.284 10 0 CEAERO CC(C)Cc1nc2c(n1[C@H](C)Cn1ccnc1)CC[NH2+]C2 ZINC000085573545 179099760 /nfs/dbraw/zinc/09/97/60/179099760.db2.gz BRCWIOAXYVOSIR-CYBMUJFWSA-N 1 0 287.411 2.185 10 0 CEAERO CC[C@H](C)c1ccc(S(=O)(=O)NCC[C@@H](C)[NH3+])cc1 ZINC000063171301 362754316 /nfs/dbraw/zinc/75/43/16/362754316.db2.gz CPSBFFSUCANQPG-NWDGAFQWSA-N 1 0 284.425 2.216 10 0 CEAERO CC[C@]1(C)CN(Cc2cccc(OC)n2)CCC[NH2+]1 ZINC000085616979 179104041 /nfs/dbraw/zinc/10/40/41/179104041.db2.gz QFDBUTUIKYBHBE-OAHLLOKOSA-N 1 0 263.385 2.054 10 0 CEAERO CC1(C)[C@H]([NH2+]CCCCn2ccnc2)[C@@H]2CCO[C@@H]21 ZINC000085637377 179110217 /nfs/dbraw/zinc/11/02/17/179110217.db2.gz BSAMAVYLTWGWMP-MJBXVCDLSA-N 1 0 263.385 2.066 10 0 CEAERO CC[C@@H]1CO[C@H](C)CN1c1ccc(CC[NH3+])cc1C ZINC000111485510 136562768 /nfs/dbraw/zinc/56/27/68/136562768.db2.gz XSAOMZYXZBNEPJ-UKRRQHHQSA-N 1 0 262.397 2.500 10 0 CEAERO OC1(C[NH+]2CCN(c3ccccc3Cl)CC2)CCC1 ZINC000336801853 365835421 /nfs/dbraw/zinc/83/54/21/365835421.db2.gz RNJAYTMALGXJCB-UHFFFAOYSA-N 1 0 280.799 2.377 10 0 CEAERO Cc1nc(NC(=O)CC[C@H](C)[NH3+])ccc1Br ZINC000085729048 179131813 /nfs/dbraw/zinc/13/18/13/179131813.db2.gz ZDHCYCPKTUNRQH-ZETCQYMHSA-N 1 0 286.173 2.218 10 0 CEAERO C[NH+](C)C[C@@H](O)Cc1cc(F)ccc1Br ZINC000085794154 179171741 /nfs/dbraw/zinc/17/17/41/179171741.db2.gz SEERQCODAAHLSU-JTQLQIEISA-N 1 0 276.149 2.053 10 0 CEAERO [NH3+][C@@]1(C(=O)N[C@H](c2cccs2)C2CCCC2)CCOC1 ZINC000085869980 179192670 /nfs/dbraw/zinc/19/26/70/179192670.db2.gz OVYLYQVEUZHATD-ZFWWWQNUSA-N 1 0 294.420 2.213 10 0 CEAERO CC(C)c1ccc([C@H](C)NC(=O)[C@@]2([NH3+])CCOC2)cc1 ZINC000085872173 179193290 /nfs/dbraw/zinc/19/32/90/179193290.db2.gz NKWWKZFWSBBKTJ-BLLLJJGKSA-N 1 0 276.380 2.105 10 0 CEAERO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)[C@@]1([NH3+])CCOC1 ZINC000085876426 179195017 /nfs/dbraw/zinc/19/50/17/179195017.db2.gz URTGNGJLMMNUEY-MEDUHNTESA-N 1 0 288.347 2.070 10 0 CEAERO Cc1ccc(C(=O)NC[C@@H]2CCCC[C@H]2[NH3+])cc1F ZINC000085965367 179205607 /nfs/dbraw/zinc/20/56/07/179205607.db2.gz WIPJYNRIYVNHNB-GXTWGEPZSA-N 1 0 264.344 2.381 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1CNC(=O)c1ccc(F)cc1 ZINC000085967172 179206008 /nfs/dbraw/zinc/20/60/08/179206008.db2.gz KOSIDZDOEMMBEP-YPMHNXCESA-N 1 0 250.317 2.073 10 0 CEAERO Cc1ccc(S(=O)(=O)NC[C@@H]2CCCC[C@@H]2[NH3+])c(C)c1 ZINC000085971583 179206533 /nfs/dbraw/zinc/20/65/33/179206533.db2.gz FHDSPMSIWLDAQS-KBPBESRZSA-N 1 0 296.436 2.099 10 0 CEAERO CCC[NH2+][C@H](CCO)CN(C)Cc1ccccc1F ZINC000085921950 179200595 /nfs/dbraw/zinc/20/05/95/179200595.db2.gz VXPAYBPPBJQZDK-CQSZACIVSA-N 1 0 268.376 2.008 10 0 CEAERO CC[NH2+][C@@H](CCO)C[S@](=O)c1ccc(C(C)(C)C)cc1 ZINC000085927574 179201872 /nfs/dbraw/zinc/20/18/72/179201872.db2.gz XJGPHBSJZNFQJD-VBKZILBWSA-N 1 0 297.464 2.452 10 0 CEAERO Cc1ccc(NC(=O)[C@@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)cc1 ZINC000085986099 179211380 /nfs/dbraw/zinc/21/13/80/179211380.db2.gz VCSAHRAJRYKNAV-FMKPAKJESA-N 1 0 290.407 2.463 10 0 CEAERO CC[NH2+][C@H](c1ccc(C)s1)[C@H]1CCS(=O)(=O)C1 ZINC000086020905 179217839 /nfs/dbraw/zinc/21/78/39/179217839.db2.gz AVKZIIHLEGRHCL-JQWIXIFHSA-N 1 0 273.423 2.142 10 0 CEAERO CC(C)n1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2O)n1 ZINC000085985679 179211639 /nfs/dbraw/zinc/21/16/39/179211639.db2.gz FAVNQFLIWXLVLU-OCCSQVGLSA-N 1 0 251.374 2.105 10 0 CEAERO CC(C)c1ccc([C@H](O)C[NH2+]CC[C@H](C)O)cc1 ZINC000085990235 179213637 /nfs/dbraw/zinc/21/36/37/179213637.db2.gz IDAMHHFJCUVKAK-SWLSCSKDSA-N 1 0 251.370 2.204 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CC[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000086040326 179222467 /nfs/dbraw/zinc/22/24/67/179222467.db2.gz PXCMFCQIHBFCLC-ZHAHWJHGSA-N 1 0 273.785 2.240 10 0 CEAERO CCC[NH2+][C@H]1CC[C@H](SCC(=O)OCC)[C@@H]1C ZINC000086044003 179223093 /nfs/dbraw/zinc/22/30/93/179223093.db2.gz DSCOUUMATBOXAB-WOPDTQHZSA-N 1 0 259.415 2.449 10 0 CEAERO CC[NH2+][C@@H]1CC[C@H](S(=O)(=O)C2CCCC2)[C@@H]1C ZINC000086042021 179223157 /nfs/dbraw/zinc/22/31/57/179223157.db2.gz JAJKHDZLBAWRKA-RTXFEEFZSA-N 1 0 259.415 2.120 10 0 CEAERO CC[NH2+][C@@H](c1ccc2c(c1)CCC2)[C@H]1CCS(=O)(=O)C1 ZINC000086021195 179218696 /nfs/dbraw/zinc/21/86/96/179218696.db2.gz AJGLFTDVVMNZGH-HOTGVXAUSA-N 1 0 293.432 2.261 10 0 CEAERO CCC[NH2+][C@@H](c1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000086021548 179218936 /nfs/dbraw/zinc/21/89/36/179218936.db2.gz VWLBNJVBYAQPQS-CMPLNLGQSA-N 1 0 273.423 2.224 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000086026423 179219850 /nfs/dbraw/zinc/21/98/50/179219850.db2.gz BUAAQZSNUOWYLX-HOTGVXAUSA-N 1 0 295.448 2.340 10 0 CEAERO CCC[NH2+][C@H](Cc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000086026351 179220338 /nfs/dbraw/zinc/22/03/38/179220338.db2.gz XLSSTKOUVBFNGI-HZPDHXFCSA-N 1 0 295.448 2.340 10 0 CEAERO CCC[NH2+][C@@H]1CC[C@H](S(=O)(=O)[C@@H](C)CC)[C@@H]1C ZINC000086041255 179221941 /nfs/dbraw/zinc/22/19/41/179221941.db2.gz LJGACUIMKMZSJM-LOWDOPEQSA-N 1 0 261.431 2.366 10 0 CEAERO CC[NH2+][C@@H]1CC[C@H](S(=O)(=O)c2ccccc2)[C@@H]1C ZINC000086040247 179221942 /nfs/dbraw/zinc/22/19/42/179221942.db2.gz CJZNNBKTLCAGLW-BNOWGMLFSA-N 1 0 267.394 2.237 10 0 CEAERO Cc1cccc(CS(=O)(=O)[C@H]2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000086041818 179222177 /nfs/dbraw/zinc/22/21/77/179222177.db2.gz MTINXRGQCRIDLK-UBHSHLNASA-N 1 0 267.394 2.036 10 0 CEAERO CC[NH2+][C@H]1CC[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1C ZINC000086040254 179222184 /nfs/dbraw/zinc/22/21/84/179222184.db2.gz CJZNNBKTLCAGLW-KWCYVHTRSA-N 1 0 267.394 2.237 10 0 CEAERO CC[NH2+][C@@H]1CC[C@@H](S(=O)(=O)c2ccccc2F)[C@@H]1C ZINC000086040725 179222333 /nfs/dbraw/zinc/22/23/33/179222333.db2.gz JSBROCIKCCNHHF-RAIGVLPGSA-N 1 0 285.384 2.376 10 0 CEAERO CC[C@H]1CC[C@@H](NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])[C@@H]1C ZINC000086094550 179229646 /nfs/dbraw/zinc/22/96/46/179229646.db2.gz LQJQOVWAAHKJDE-XHJNMGKDSA-N 1 0 252.402 2.445 10 0 CEAERO C[C@@]1(C2CC2)CN(CCc2ccccc2F)CC[NH2+]1 ZINC000086124316 179236025 /nfs/dbraw/zinc/23/60/25/179236025.db2.gz AAYHPCOJAGJXQR-INIZCTEOSA-N 1 0 262.372 2.442 10 0 CEAERO C[C@H]([C@@H]1CCCO1)N1CC[NH2+][C@H](C2CCCCC2)C1 ZINC000086127780 179236033 /nfs/dbraw/zinc/23/60/33/179236033.db2.gz NOPBQGGOKGUKFS-KBMXLJTQSA-N 1 0 266.429 2.408 10 0 CEAERO C(CN1CC[NH2+][C@@H](C2CCCCC2)C1)[C@@H]1CCCO1 ZINC000086145610 179237921 /nfs/dbraw/zinc/23/79/21/179237921.db2.gz SRSOODJZXDHYHN-JKSUJKDBSA-N 1 0 266.429 2.410 10 0 CEAERO CC[C@H]1CC[C@@H]([NH2+]Cc2c(OC)ncnc2OC)[C@@H]1C ZINC000086083925 179228689 /nfs/dbraw/zinc/22/86/89/179228689.db2.gz KDGMFKRWKRCEDT-NTZNESFSSA-N 1 0 279.384 2.408 10 0 CEAERO CCC[C@H]1CN(C[C@@H]2Cc3ccccc3O2)CC[NH2+]1 ZINC000086147000 179239995 /nfs/dbraw/zinc/23/99/95/179239995.db2.gz HKQDYFZALUOCKS-GJZGRUSLSA-N 1 0 260.381 2.064 10 0 CEAERO Cc1ncsc1CN1CC[NH2+][C@](C)(C2CC2)C1 ZINC000086149031 179240016 /nfs/dbraw/zinc/24/00/16/179240016.db2.gz SZVCOIQNXRXSCY-ZDUSSCGKSA-N 1 0 251.399 2.025 10 0 CEAERO CC(C)(C)[C@H]1CN(CCOC2CCCC2)CC[NH2+]1 ZINC000086149509 179240602 /nfs/dbraw/zinc/24/06/02/179240602.db2.gz ADDNOQPBNHBYHN-CQSZACIVSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@H](C)[C@H]1CN(CCc2cscn2)CC[NH2+]1 ZINC000086149455 179240718 /nfs/dbraw/zinc/24/07/18/179240718.db2.gz UPJKYHICQRVLDA-WCQYABFASA-N 1 0 253.415 2.006 10 0 CEAERO CCC[C@@H](COC)[N@@H+]1CCNC2(CCCCC2)C1 ZINC000086150370 179240731 /nfs/dbraw/zinc/24/07/31/179240731.db2.gz UHCFNNHDZVYRCT-AWEZNQCLSA-N 1 0 254.418 2.410 10 0 CEAERO C(CN1CC[NH2+][C@H](C2CC2)C1)OC1CCCCC1 ZINC000086149581 179240943 /nfs/dbraw/zinc/24/09/43/179240943.db2.gz XYBXATRHIACCBI-HNNXBMFYSA-N 1 0 252.402 2.020 10 0 CEAERO C[C@@H](Cc1ccc(F)cc1)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000086175191 179245631 /nfs/dbraw/zinc/24/56/31/179245631.db2.gz CKINBUBAYKDJNO-AGIUHOORSA-N 1 0 250.361 2.439 10 0 CEAERO COC[C@H](C)[N@@H+]1C[C@@](C)(C2CC2)NC[C@@H]1C(C)C ZINC000086179899 179246287 /nfs/dbraw/zinc/24/62/87/179246287.db2.gz CJMVNMIPMZJNRO-CFVMTHIKSA-N 1 0 254.418 2.120 10 0 CEAERO C([C@@H]1CCCOC1)[N@@H+]1CCN[C@H](C2CCCCC2)C1 ZINC000086146253 179239110 /nfs/dbraw/zinc/23/91/10/179239110.db2.gz UTCXJKTVXYBLSO-HOCLYGCPSA-N 1 0 266.429 2.267 10 0 CEAERO CO[C@H]1CCC[C@@H]1[N@@H+]1CCNC2(CCCCC2)C1 ZINC000086146812 179239614 /nfs/dbraw/zinc/23/96/14/179239614.db2.gz PWGWUGXPHLGDDB-KBPBESRZSA-N 1 0 252.402 2.162 10 0 CEAERO Cc1cnc(CN2CC[NH2+][C@](C)(c3ccccc3)C2)cn1 ZINC000086147989 179239804 /nfs/dbraw/zinc/23/98/04/179239804.db2.gz NAAGYFOVQONFCK-KRWDZBQOSA-N 1 0 282.391 2.106 10 0 CEAERO CC(C)n1cc(N2CC[NH2+][C@@H](C(C)(C)C)C2)cn1 ZINC000086148282 179239873 /nfs/dbraw/zinc/23/98/73/179239873.db2.gz YNMMMDMLNUFLQU-CYBMUJFWSA-N 1 0 250.390 2.288 10 0 CEAERO CC[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1c1cnn(CC)c1 ZINC000086218502 179249421 /nfs/dbraw/zinc/24/94/21/179249421.db2.gz RERLEVWCQQHAGX-UKRRQHHQSA-N 1 0 262.401 2.260 10 0 CEAERO CCn1cc(N2C[C@@H](C3CC3)[NH2+]C[C@@H]2C(C)C)cn1 ZINC000086218523 179249527 /nfs/dbraw/zinc/24/95/27/179249527.db2.gz MQMHITVFZWVZCT-LSDHHAIUSA-N 1 0 262.401 2.116 10 0 CEAERO CC[C@@H]1CN[C@@H](C2CC2)C[N@@H+]1[C@@H](C)[C@@H]1CCCO1 ZINC000086218203 179249833 /nfs/dbraw/zinc/24/98/33/179249833.db2.gz KAHHLODEJZFPDL-MYPMTAMASA-N 1 0 252.402 2.016 10 0 CEAERO CC(C)[C@H]1C[NH2+][C@H](C2CC2)CN1CCc1ccccn1 ZINC000086221445 179250425 /nfs/dbraw/zinc/25/04/25/179250425.db2.gz OMYPSNDCJWLQML-DLBZAZTESA-N 1 0 273.424 2.333 10 0 CEAERO CC[C@]1(C)C[N@H+](C2CCOCC2)[C@H](C(C)C)CN1 ZINC000086218770 179250528 /nfs/dbraw/zinc/25/05/28/179250528.db2.gz BQCLGNICDNIZAS-LSDHHAIUSA-N 1 0 254.418 2.264 10 0 CEAERO C[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1CCc1ccncc1 ZINC000086223355 179252235 /nfs/dbraw/zinc/25/22/35/179252235.db2.gz SNHJSOBZBFGBRO-DZGCQCFKSA-N 1 0 261.413 2.333 10 0 CEAERO Cc1cccc(CN2CC3(CCCC3)[NH2+]C[C@H]2C)n1 ZINC000086261768 179259709 /nfs/dbraw/zinc/25/97/09/179259709.db2.gz PDJRGMRSIDOINY-CQSZACIVSA-N 1 0 259.397 2.497 10 0 CEAERO CC[C@H]1CN(Cc2ccnc(OC)c2)[C@H](C(C)C)C[NH2+]1 ZINC000086263856 179260893 /nfs/dbraw/zinc/26/08/93/179260893.db2.gz LWPFWTXWIGMDRN-GJZGRUSLSA-N 1 0 277.412 2.299 10 0 CEAERO CC(C)[C@H]1C[NH2+][C@@H](C2CC2)CN1CCc1nccs1 ZINC000086264304 179260997 /nfs/dbraw/zinc/26/09/97/179260997.db2.gz NWMXLBLLUNGILL-ZIAGYGMSSA-N 1 0 279.453 2.394 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C2CC2)CN1Cc1ncccc1C ZINC000086264930 179261048 /nfs/dbraw/zinc/26/10/48/179261048.db2.gz PWZSEQTVVPEYQA-GOEBONIOSA-N 1 0 259.397 2.352 10 0 CEAERO C[C@H]1C[NH2+]C2(CCCC2)CN1CCc1nccs1 ZINC000086264346 179261233 /nfs/dbraw/zinc/26/12/33/179261233.db2.gz TWLWQLGIRLNLEU-LBPRGKRZSA-N 1 0 265.426 2.292 10 0 CEAERO CC[C@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1ccc(OC)nc1 ZINC000086263888 179261249 /nfs/dbraw/zinc/26/12/49/179261249.db2.gz UWAKTOMUXPXVKT-RDJZCZTQSA-N 1 0 289.423 2.443 10 0 CEAERO Cc1cccnc1CN1C[C@@](C)(C2CC2)[NH2+]C[C@@H]1C ZINC000086264909 179261341 /nfs/dbraw/zinc/26/13/41/179261341.db2.gz RZLYBSHTUWEHAS-BBRMVZONSA-N 1 0 259.397 2.352 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C2CC2)CN1c1cnn(C(C)C)c1 ZINC000086263482 179261459 /nfs/dbraw/zinc/26/14/59/179261459.db2.gz QGVZCNXDGBIERF-DZGCQCFKSA-N 1 0 262.401 2.431 10 0 CEAERO CC[C@@H]1C[NH2+][C@@](C)(CC)CN1Cc1cscn1 ZINC000086265459 179261883 /nfs/dbraw/zinc/26/18/83/179261883.db2.gz WLABZZVBAQFNLG-OLZOCXBDSA-N 1 0 253.415 2.496 10 0 CEAERO COc1ccc(CCN2CCC[NH2+]C(C)(C)C2)cc1 ZINC000086269436 179262118 /nfs/dbraw/zinc/26/21/18/179262118.db2.gz IEDKRKGYVQZZQM-UHFFFAOYSA-N 1 0 262.397 2.312 10 0 CEAERO CC[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1cscn1 ZINC000086265413 179262254 /nfs/dbraw/zinc/26/22/54/179262254.db2.gz QFDGJUIWBHAASM-ZIAGYGMSSA-N 1 0 265.426 2.496 10 0 CEAERO C[C@H]1CN[C@](C)(c2ccccc2)C[N@@H+]1[C@@H]1CCCOC1 ZINC000086265222 179262558 /nfs/dbraw/zinc/26/25/58/179262558.db2.gz JLLFEPIUGLKBMW-UAGQMJEPSA-N 1 0 274.408 2.375 10 0 CEAERO C[NH+]1CCC(Oc2nc(Br)cs2)CC1 ZINC000086278625 179262651 /nfs/dbraw/zinc/26/26/51/179262651.db2.gz PGJLPVNOBHMKIT-UHFFFAOYSA-N 1 0 277.187 2.379 10 0 CEAERO CCCCc1nc(C)c(I)c(N)n1 ZINC000086323665 179271384 /nfs/dbraw/zinc/27/13/84/179271384.db2.gz JJPQQEKOMDFPRG-UHFFFAOYSA-N 1 0 291.136 2.314 10 0 CEAERO [NH3+]CC[C@@H]1CCCN(c2nc(Br)cs2)C1 ZINC000086290906 179265851 /nfs/dbraw/zinc/26/58/51/179265851.db2.gz BASQJHFIDGOWCT-QMMMGPOBSA-N 1 0 290.230 2.471 10 0 CEAERO CC[C@@H](C)[C@H]1CN(Cc2cc(C)on2)CCC[NH2+]1 ZINC000086292087 179266031 /nfs/dbraw/zinc/26/60/31/179266031.db2.gz LWOGQOPZCQINLF-BXUZGUMPSA-N 1 0 251.374 2.193 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(Cc2cc(C)no2)CCC[NH2+]1 ZINC000086292715 179266608 /nfs/dbraw/zinc/26/66/08/179266608.db2.gz GYVMJGHJUYNJER-RISCZKNCSA-N 1 0 251.374 2.193 10 0 CEAERO CC[C@@H](C)[C@H]1CN(Cc2ccnc(OC)c2)CCC[NH2+]1 ZINC000086296309 179268359 /nfs/dbraw/zinc/26/83/59/179268359.db2.gz RMUHWJHQBQYMHM-UKRRQHHQSA-N 1 0 277.412 2.300 10 0 CEAERO C[C@]1(C2CC2)CN(CCc2cscn2)CCC[NH2+]1 ZINC000086297920 179268898 /nfs/dbraw/zinc/26/88/98/179268898.db2.gz PFYLXWQWYRHQDE-CQSZACIVSA-N 1 0 265.426 2.150 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000261550450 290827224 /nfs/dbraw/zinc/82/72/24/290827224.db2.gz NGKDQIPRHKBMPV-KXUCPTDWSA-N 1 0 266.307 2.079 10 0 CEAERO C[NH+](C)C1CCN(c2nc3c(s2)CCC[C@H]3O)CC1 ZINC000086444464 179294740 /nfs/dbraw/zinc/29/47/40/179294740.db2.gz RLKYSKGGFVBVAH-LLVKDONJSA-N 1 0 281.425 2.043 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)c1cccc(N(C)C)c1 ZINC000086446367 179294844 /nfs/dbraw/zinc/29/48/44/179294844.db2.gz LQQAAHDXYRUFBR-LSDHHAIUSA-N 1 0 289.423 2.355 10 0 CEAERO CN(CC1CC[NH+](C)CC1)c1nc2c(s1)CCC[C@@H]2O ZINC000086444797 179295015 /nfs/dbraw/zinc/29/50/15/179295015.db2.gz AIKRCHJFMNZMHQ-LBPRGKRZSA-N 1 0 295.452 2.291 10 0 CEAERO CC[C@@H]1CN(C(=O)c2ccc(C)o2)[C@@H](CC)C[NH2+]1 ZINC000086447335 179295573 /nfs/dbraw/zinc/29/55/73/179295573.db2.gz FKQAWYRHBJYMEK-NEPJUHHUSA-N 1 0 250.342 2.191 10 0 CEAERO CC[C@@H]1CN(C(=O)c2cccn2CC)[C@H](CC)C[NH2+]1 ZINC000086447724 179295597 /nfs/dbraw/zinc/29/55/97/179295597.db2.gz WUXLUARSSATBOD-CHWSQXEVSA-N 1 0 263.385 2.111 10 0 CEAERO CC[C@H]1CN(C(=O)c2cccc(F)c2)[C@@H](CC)C[NH2+]1 ZINC000086447000 179295953 /nfs/dbraw/zinc/29/59/53/179295953.db2.gz VXJRYZKHXPCBBQ-KBPBESRZSA-N 1 0 264.344 2.428 10 0 CEAERO CN(CCc1cccs1)Cc1cccc(NN)[nH+]1 ZINC000086441622 179292981 /nfs/dbraw/zinc/29/29/81/179292981.db2.gz MSYLMDNCQZTXMF-UHFFFAOYSA-N 1 0 262.382 2.103 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)c1cc(C)oc1C ZINC000086447250 179295981 /nfs/dbraw/zinc/29/59/81/179295981.db2.gz ANTDOWBPJQHMNN-QWHCGFSZSA-N 1 0 264.369 2.499 10 0 CEAERO CCC[NH2+]CC1(S(C)(=O)=O)CC(CC)(CC)C1 ZINC000086521320 179305630 /nfs/dbraw/zinc/30/56/30/179305630.db2.gz XTDUBXRQGVPCJF-UHFFFAOYSA-N 1 0 261.431 2.370 10 0 CEAERO CC(C)[NH2+]CCCc1nc(-c2nccs2)c[nH]1 ZINC000086508870 179303778 /nfs/dbraw/zinc/30/37/78/179303778.db2.gz AAKBHTAQAHHPIE-UHFFFAOYSA-N 1 0 250.371 2.464 10 0 CEAERO C[NH2+][C@@H](Cc1cccc(Br)c1)C(OC)OC ZINC000086452124 179296281 /nfs/dbraw/zinc/29/62/81/179296281.db2.gz IDSIKMFNSYFIFJ-NSHDSACASA-N 1 0 288.185 2.199 10 0 CEAERO CC[C@H]1CN(CC(=O)N2CCCCCCC2)[C@@H](CC)C[NH2+]1 ZINC000086464750 179296854 /nfs/dbraw/zinc/29/68/54/179296854.db2.gz YETXOGBWAVTCPO-HOTGVXAUSA-N 1 0 295.471 2.242 10 0 CEAERO CCCCc1noc(CN2C[C@@H](CC)[NH2+]C[C@@H]2CC)n1 ZINC000086465144 179297150 /nfs/dbraw/zinc/29/71/50/179297150.db2.gz OSDCCAROUVBJBY-OLZOCXBDSA-N 1 0 280.416 2.375 10 0 CEAERO C[C@@H]1CN(C(=O)C23CC4CC(CC(C4)C2)C3)[C@@H](C)C[NH2+]1 ZINC000086467927 179298873 /nfs/dbraw/zinc/29/88/73/179298873.db2.gz XGTJEWOVTMSBDU-XALLYKQOSA-N 1 0 276.424 2.412 10 0 CEAERO Brc1cscc1N1CCC[NH2+]CC1 ZINC000086556330 179307927 /nfs/dbraw/zinc/30/79/27/179307927.db2.gz YOQYLDGKYLKJOH-UHFFFAOYSA-N 1 0 261.188 2.310 10 0 CEAERO CCCN1CCO[C@H](C[NH3+])[C@@H]1c1ccc(OC)c(Cl)c1 ZINC000086584979 179309018 /nfs/dbraw/zinc/30/90/18/179309018.db2.gz CWPLPAYJWWIXCB-CABCVRRESA-N 1 0 298.814 2.459 10 0 CEAERO Cc1cnc([C@H](C)NC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)o1 ZINC000231743966 539581117 /nfs/dbraw/zinc/58/11/17/539581117.db2.gz KYTVROLBKSRITJ-WCFLWFBJSA-N 1 0 279.384 2.186 10 0 CEAERO O[C@@]1(c2cscc2Br)CCC[NH2+]C1 ZINC000086553668 179306934 /nfs/dbraw/zinc/30/69/34/179306934.db2.gz SFZHGRCSCVNRBI-VIFPVBQESA-N 1 0 262.172 2.082 10 0 CEAERO [NH3+]Cc1ccc2c(c1)nc([C@@H]1CCOC1)n2C1CC1 ZINC000086641603 179315159 /nfs/dbraw/zinc/31/51/59/179315159.db2.gz FAXLYXHJYSKZTN-LLVKDONJSA-N 1 0 257.337 2.334 10 0 CEAERO COC[C@H]([NH2+]C[C@H](O)COC1CCC(C)CC1)C(C)C ZINC000086700322 179321713 /nfs/dbraw/zinc/32/17/13/179321713.db2.gz WTHJEBCBCSZPEF-GRAKBVBRSA-N 1 0 287.444 2.203 10 0 CEAERO COC[C@@H](Nc1[nH+]c(C)cc(C)c1C(N)=S)C(C)C ZINC000086701762 179321780 /nfs/dbraw/zinc/32/17/80/179321780.db2.gz CEWOKRBKHYMBON-LLVKDONJSA-N 1 0 281.425 2.416 10 0 CEAERO CN(CC1CC[NH2+]CC1)c1nc(Br)cs1 ZINC000086703989 179322060 /nfs/dbraw/zinc/32/20/60/179322060.db2.gz HOVZXTPWHZBZJL-UHFFFAOYSA-N 1 0 290.230 2.341 10 0 CEAERO CC[NH2+][C@@H](Cc1ccccc1)[C@@H]1CN(C(C)C)CCO1 ZINC000086655224 179316270 /nfs/dbraw/zinc/31/62/70/179316270.db2.gz QWLJQNJLESQNFE-IRXDYDNUSA-N 1 0 276.424 2.316 10 0 CEAERO CC(C)CC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1S(C)(=O)=O ZINC000086671072 179318030 /nfs/dbraw/zinc/31/80/30/179318030.db2.gz VWGNJRWLQTUGNM-XQQFMLRXSA-N 1 0 261.431 2.366 10 0 CEAERO C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1S(C)(=O)=O ZINC000086675642 179318330 /nfs/dbraw/zinc/31/83/30/179318330.db2.gz XJPPLOVOZRQKGA-SYQHCUMBSA-N 1 0 273.442 2.368 10 0 CEAERO CS(=O)(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc2c(s1)CCC2 ZINC000086675448 179318654 /nfs/dbraw/zinc/31/86/54/179318654.db2.gz RXQJKWGPJUUMAM-GXTWGEPZSA-N 1 0 299.461 2.292 10 0 CEAERO CS(=O)(=O)[C@@H]1CCC[C@H]1[NH2+]CCCOc1ccccc1 ZINC000086675870 179319014 /nfs/dbraw/zinc/31/90/14/179319014.db2.gz GTNNCZWWAUQQSS-HUUCEWRRSA-N 1 0 297.420 2.011 10 0 CEAERO CCN1CC[C@H]([NH2+][C@H](C)Cc2ccccc2OC)C1 ZINC000336895064 365939321 /nfs/dbraw/zinc/93/93/21/365939321.db2.gz MKAJNEGXFQPIKD-HIFRSBDPSA-N 1 0 262.397 2.310 10 0 CEAERO CC(C)CCNC(=O)COC1(C[NH3+])CCC(C)(C)CC1 ZINC000086712189 179322746 /nfs/dbraw/zinc/32/27/46/179322746.db2.gz CQMKTECSKYIQDI-UHFFFAOYSA-N 1 0 284.444 2.463 10 0 CEAERO CCCC1CCC(C[NH3+])(OC[C@H](O)COC(C)C)CC1 ZINC000086713390 179322825 /nfs/dbraw/zinc/32/28/25/179322825.db2.gz FQAGIQQVSINZAT-HWOWSKLDSA-N 1 0 287.444 2.477 10 0 CEAERO CC(C)NC(=O)CCOC1(C[NH3+])CCC(C(C)C)CC1 ZINC000086713542 179322880 /nfs/dbraw/zinc/32/28/80/179322880.db2.gz YQDAUNOQDVUFSS-UHFFFAOYSA-N 1 0 284.444 2.461 10 0 CEAERO CCC1CCC(C[NH3+])(OCC(=O)OC(C)C)CC1 ZINC000086713192 179322951 /nfs/dbraw/zinc/32/29/51/179322951.db2.gz BCPRICUIXSJHCD-UHFFFAOYSA-N 1 0 257.374 2.252 10 0 CEAERO COC(=O)[C@@H](C)OC1(C[NH3+])CCC(C(C)C)CC1 ZINC000086713576 179322973 /nfs/dbraw/zinc/32/29/73/179322973.db2.gz BWBVNHBOILYJHR-LKSINWNRSA-N 1 0 257.374 2.108 10 0 CEAERO [NH3+]Cc1ccnc(-c2ncc(Cl)cc2Cl)n1 ZINC000086784402 179332118 /nfs/dbraw/zinc/33/21/18/179332118.db2.gz VZQZSBIZJDPNKA-UHFFFAOYSA-N 1 0 255.108 2.304 10 0 CEAERO COc1ccc(CN[C@H]2CCC[N@H+](C)CC2)c(OC)c1 ZINC000086819123 179348834 /nfs/dbraw/zinc/34/88/34/179348834.db2.gz JUVQARXZOUCVGJ-AWEZNQCLSA-N 1 0 278.396 2.278 10 0 CEAERO C[N@H+](Cc1ccc(C(=O)[O-])cc1)[C@H]1CCC[NH+](C)CC1 ZINC000086834412 179349356 /nfs/dbraw/zinc/34/93/56/179349356.db2.gz XMADHEBXQRWBJD-HNNXBMFYSA-N 1 0 276.380 2.301 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000086836040 179349634 /nfs/dbraw/zinc/34/96/34/179349634.db2.gz MEUQWZSUNZPSIB-LLVKDONJSA-N 1 0 274.368 2.143 10 0 CEAERO CC[N@@H+]1CCC[C@H](Nc2cccc(NC(N)=O)c2)CC1 ZINC000086840165 179351481 /nfs/dbraw/zinc/35/14/81/179351481.db2.gz SVFOCTZBSHXYCT-LBPRGKRZSA-N 1 0 276.384 2.464 10 0 CEAERO CC[N@@H+]1CCC[C@H](Nc2cc(C(N)=O)ccc2OC)CC1 ZINC000086839696 179351738 /nfs/dbraw/zinc/35/17/38/179351738.db2.gz UGDLGWQXSKHIKX-ZDUSSCGKSA-N 1 0 291.395 2.080 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NCc2ccc(OC)nc2)CC1 ZINC000086836786 179351955 /nfs/dbraw/zinc/35/19/55/179351955.db2.gz FNDDCJYUUPBNFV-CQSZACIVSA-N 1 0 263.385 2.054 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2cccc(C(=O)NC)c2)CC1 ZINC000086836268 179352174 /nfs/dbraw/zinc/35/21/74/179352174.db2.gz HJUABEKKAGAOAY-CQSZACIVSA-N 1 0 275.396 2.333 10 0 CEAERO CC[N@@H+]1CCC[C@@](CC(=O)[O-])([NH+]2CCCCC2)CC1 ZINC000086868504 179360746 /nfs/dbraw/zinc/36/07/46/179360746.db2.gz LEXNBZPNMMZCQM-OAHLLOKOSA-N 1 0 268.401 2.192 10 0 CEAERO CCC[C@H]([NH2+][C@@H]1CCC[N@@H+](C(C)C)CC1)C(=O)[O-] ZINC000086868677 179361964 /nfs/dbraw/zinc/36/19/64/179361964.db2.gz OBRSELYIOUEZGO-OLZOCXBDSA-N 1 0 256.390 2.092 10 0 CEAERO CC[NH+](CC)CCn1cc(N[C@H]2CCCOCC2)cn1 ZINC000086873877 179364978 /nfs/dbraw/zinc/36/49/78/179364978.db2.gz KMWOCSUMMGPWBA-AWEZNQCLSA-N 1 0 280.416 2.206 10 0 CEAERO CC[C@@]1(C(=O)[O-])CC[N@@H+]([C@@H]2CCC[NH+](C(C)C)CC2)C1 ZINC000086869116 179362364 /nfs/dbraw/zinc/36/23/64/179362364.db2.gz FROHWSHJGCUIFW-GDBMZVCRSA-N 1 0 282.428 2.436 10 0 CEAERO CCC[N@@H+]1CCC[C@@H]([NH+]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000086868592 179362473 /nfs/dbraw/zinc/36/24/73/179362473.db2.gz WSEZIYFVMMEBDH-UONOGXRCSA-N 1 0 268.401 2.048 10 0 CEAERO CC[N@H+]([C@H]1CCC[NH+](C(C)C)CC1)C(C)(C)C(=O)[O-] ZINC000086868926 179362823 /nfs/dbraw/zinc/36/28/23/179362823.db2.gz ZKWXWAIXDKDZLM-ZDUSSCGKSA-N 1 0 270.417 2.434 10 0 CEAERO CC[N@@H+]1CCC[C@H]([NH+](CCCC(=O)[O-])C(C)C)CC1 ZINC000086868772 179362937 /nfs/dbraw/zinc/36/29/37/179362937.db2.gz QLZYACQGWUGCHJ-AWEZNQCLSA-N 1 0 270.417 2.436 10 0 CEAERO CC(C)[N@@H+]1CCC[C@@H]([NH+]2CCCC[C@@H]2C(=O)[O-])CC1 ZINC000086868608 179362949 /nfs/dbraw/zinc/36/29/49/179362949.db2.gz BJSRDSXJFUFXSQ-ZIAGYGMSSA-N 1 0 268.401 2.188 10 0 CEAERO c1coc(COCCC[NH2+][C@@H]2CCCOCC2)c1 ZINC000086870057 179363238 /nfs/dbraw/zinc/36/32/38/179363238.db2.gz MLMRMRXNIOABBF-CYBMUJFWSA-N 1 0 253.342 2.345 10 0 CEAERO COc1c(C)cnc(C[C@@]2([NH3+])CCCOCC2)c1C ZINC000086870392 179363738 /nfs/dbraw/zinc/36/37/38/179363738.db2.gz YEIRVQPCAMNYIO-OAHLLOKOSA-N 1 0 264.369 2.148 10 0 CEAERO COc1ccc(C[C@H](C)C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000128730625 187387058 /nfs/dbraw/zinc/38/70/58/187387058.db2.gz SYWPXINLTYAFQC-DZGCQCFKSA-N 1 0 290.407 2.036 10 0 CEAERO COc1ccccc1CN(C)[C@]1(C[NH3+])CCCOCC1 ZINC000086875146 179364724 /nfs/dbraw/zinc/36/47/24/179364724.db2.gz NUAGAGCOEVGYLU-MRXNPFEDSA-N 1 0 278.396 2.025 10 0 CEAERO CC[N@@H+]1CCC[C@](O)(c2ccc(OC)c(OC)c2)CC1 ZINC000086852142 179359454 /nfs/dbraw/zinc/35/94/54/179359454.db2.gz GXNBETXAWDSYML-MRXNPFEDSA-N 1 0 279.380 2.397 10 0 CEAERO CCS(=O)(=O)CCC[C@H](CCc1ccccc1)[NH2+]C ZINC000086979040 179372562 /nfs/dbraw/zinc/37/25/62/179372562.db2.gz DKKHASXJIJFMRR-OAHLLOKOSA-N 1 0 283.437 2.422 10 0 CEAERO CCS(=O)(=O)CCC[C@H](C[NH2+]C(C)C)C(C)C ZINC000086980841 179373385 /nfs/dbraw/zinc/37/33/85/179373385.db2.gz GOFYJDYLIZTKHV-CYBMUJFWSA-N 1 0 263.447 2.472 10 0 CEAERO Ic1ccc(C=C2C[NH2+]C2)cc1 ZINC000086882179 179365568 /nfs/dbraw/zinc/36/55/68/179365568.db2.gz VTFGVKVXMMVTIQ-UHFFFAOYSA-N 1 0 271.101 2.278 10 0 CEAERO C[C@H]1CCC[C@](C[NH3+])(N(C)Cc2nccn2C)CC1 ZINC000086891364 179366008 /nfs/dbraw/zinc/36/60/08/179366008.db2.gz GGXAYXQRJJEZGX-ZFWWWQNUSA-N 1 0 264.417 2.150 10 0 CEAERO CC[C@@H]1CCC[C@](C[NH3+])(N2CCn3ccnc3C2)CC1 ZINC000086913307 179367369 /nfs/dbraw/zinc/36/73/69/179367369.db2.gz BQSFFYQTZQLDTC-ZBFHGGJFSA-N 1 0 276.428 2.387 10 0 CEAERO C[NH2+][C@H](c1cncc(F)c1)[C@@H]1CSCCS1 ZINC000086985060 179373696 /nfs/dbraw/zinc/37/36/96/179373696.db2.gz KRJCJUIYFDNRNS-WDEREUQCSA-N 1 0 258.387 2.330 10 0 CEAERO CC[NH2+][C@@H](CCCOC)Cc1ccn(C(C)C)n1 ZINC000086970522 179370931 /nfs/dbraw/zinc/37/09/31/179370931.db2.gz YIZGANFTQMQVFW-ZDUSSCGKSA-N 1 0 253.390 2.411 10 0 CEAERO CC[C@](C)(O)C[NH2+][C@H]1CCOc2ccc(OC)cc21 ZINC000087012104 179379074 /nfs/dbraw/zinc/37/90/74/179379074.db2.gz KGOUWHBNFBXYMA-ZFWWWQNUSA-N 1 0 265.353 2.269 10 0 CEAERO CCOc1cc(C[NH2+]C[C@@](C)(O)CC)ccc1O ZINC000087012492 179379307 /nfs/dbraw/zinc/37/93/07/179379307.db2.gz LNCGUODTVLDICI-AWEZNQCLSA-N 1 0 253.342 2.042 10 0 CEAERO CCC(O)(CC)C[NH2+]C[C@@H](O)COc1cc(C)ccc1C ZINC000087028245 179381828 /nfs/dbraw/zinc/38/18/28/179381828.db2.gz SCDWIURXFZWJKX-OAHLLOKOSA-N 1 0 295.423 2.184 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]1CCCC[C@@H]([NH2+]C)C1 ZINC000086981740 179374109 /nfs/dbraw/zinc/37/41/09/179374109.db2.gz ZHOVGLMTIZTNHT-QWHCGFSZSA-N 1 0 261.431 2.370 10 0 CEAERO CC[NH2+][C@H](Cc1ccsc1)[C@@H]1CSCCO1 ZINC000086989187 179374562 /nfs/dbraw/zinc/37/45/62/179374562.db2.gz FUQWNJLZNQPMAT-NEPJUHHUSA-N 1 0 257.424 2.401 10 0 CEAERO COc1ccc([C@@H](O)[C@H]([NH3+])Cc2ccccc2)cc1F ZINC000086992139 179375627 /nfs/dbraw/zinc/37/56/27/179375627.db2.gz FVPCGXLGTFNUPV-GDBMZVCRSA-N 1 0 275.323 2.438 10 0 CEAERO COc1ccc([C@@H]2[C@@H]([NH3+])CCCN2C2CC2)cc1F ZINC000086995368 179376087 /nfs/dbraw/zinc/37/60/87/179376087.db2.gz WQHAKCUTFYYMEW-DZGCQCFKSA-N 1 0 264.344 2.461 10 0 CEAERO C[C@H]1C[C@H]([NH3+])CN(Cc2ccc(Br)o2)C1 ZINC000087040077 179386322 /nfs/dbraw/zinc/38/63/22/179386322.db2.gz BTTZCVJDWPCAIQ-IUCAKERBSA-N 1 0 273.174 2.211 10 0 CEAERO CC1CCC(O)(C[NH2+]C[C@H]2CCCCN2C)CC1 ZINC000087045232 179388161 /nfs/dbraw/zinc/38/81/61/179388161.db2.gz AGIOGDNGPUNOGI-SHARSMKWSA-N 1 0 254.418 2.002 10 0 CEAERO [NH3+]CCOCc1nc2cc(Br)ccc2o1 ZINC000087049596 179388634 /nfs/dbraw/zinc/38/86/34/179388634.db2.gz QZVQGOQWBCWQLY-UHFFFAOYSA-N 1 0 271.114 2.066 10 0 CEAERO C[C@@H]1CCC[C@](O)(C[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000087049462 179388812 /nfs/dbraw/zinc/38/88/12/179388812.db2.gz ADWYCQVFGFLNEF-UMVBOHGHSA-N 1 0 255.402 2.475 10 0 CEAERO [NH3+][C@@H]1COC[C@H]1c1nc2cc(Br)ccc2o1 ZINC000087049588 179388850 /nfs/dbraw/zinc/38/88/50/179388850.db2.gz CIVFDRYTFXGTON-HTQZYQBOSA-N 1 0 283.125 2.031 10 0 CEAERO CCOC(=O)CCCCC[NH2+]CC1(O)CCCC1 ZINC000087029009 179382300 /nfs/dbraw/zinc/38/23/00/179382300.db2.gz HBXWWNLPGPPDEV-UHFFFAOYSA-N 1 0 257.374 2.005 10 0 CEAERO C[C@H]1CCC[C@@](O)(C[NH2+]CC(=O)Nc2ccccc2)C1 ZINC000087065153 179389914 /nfs/dbraw/zinc/38/99/14/179389914.db2.gz UQYWXIOIZWOXHR-BBRMVZONSA-N 1 0 276.380 2.156 10 0 CEAERO Cc1ccc(NC(=O)C[NH2+]C[C@]2(O)CCC[C@H](C)C2)cc1 ZINC000087064541 179390078 /nfs/dbraw/zinc/39/00/78/179390078.db2.gz MAAUJNGLBNLGNU-YOEHRIQHSA-N 1 0 290.407 2.464 10 0 CEAERO CCC1CCC(O)(CNC(=O)CC[C@H](C)CC[NH3+])CC1 ZINC000087070315 179391330 /nfs/dbraw/zinc/39/13/30/179391330.db2.gz FAACYRDWVLHROW-HLIUYOAVSA-N 1 0 284.444 2.199 10 0 CEAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+]CC1(O)CCCCCC1 ZINC000087089318 179393740 /nfs/dbraw/zinc/39/37/40/179393740.db2.gz QKHSBZSENRLBGF-ZDUSSCGKSA-N 1 0 284.444 2.355 10 0 CEAERO CC[C@H]1C[NH2+]C[C@H](c2c(OC)cc(OC)cc2OC)O1 ZINC000087090291 179394017 /nfs/dbraw/zinc/39/40/17/179394017.db2.gz NTEWABMSCCUHBF-IINYFYTJSA-N 1 0 281.352 2.152 10 0 CEAERO CC[NH2+][C@H](CCCS(C)(=O)=O)CS[C@H](C)CC ZINC000087136835 179397038 /nfs/dbraw/zinc/39/70/38/179397038.db2.gz YLKZRWROMJNKFP-VXGBXAGGSA-N 1 0 281.487 2.321 10 0 CEAERO C[NH2+][C@H](CSC1CCCC1)Cc1ccnc(N)c1 ZINC000087144702 179397122 /nfs/dbraw/zinc/39/71/22/179397122.db2.gz DUIABBMNPNDKOH-LBPRGKRZSA-N 1 0 265.426 2.470 10 0 CEAERO Nc1ncccc1C[C@H]([NH3+])CSC1CCCC1 ZINC000087143816 179397462 /nfs/dbraw/zinc/39/74/62/179397462.db2.gz IQHYUXKYAULVPP-NSHDSACASA-N 1 0 251.399 2.209 10 0 CEAERO C[NH2+][C@@H](CSC1CCCC1)Cc1cccnc1N ZINC000087144462 179397575 /nfs/dbraw/zinc/39/75/75/179397575.db2.gz JWSSEHTUFVDLGR-GFCCVEGCSA-N 1 0 265.426 2.470 10 0 CEAERO [NH3+]CCc1cc2c(cc1OCCC[C@H]1CCCO1)OCO2 ZINC000087272595 179406737 /nfs/dbraw/zinc/40/67/37/179406737.db2.gz SUJYBNPKIDUAQK-CYBMUJFWSA-N 1 0 293.363 2.255 10 0 CEAERO C[NH2+]Cc1c(C)nn(CCC[C@@H]2CCCO2)c1C ZINC000087266473 179406816 /nfs/dbraw/zinc/40/68/16/179406816.db2.gz ZDDHMPUBWQDAGG-CYBMUJFWSA-N 1 0 251.374 2.179 10 0 CEAERO COc1ccc(CC[NH3+])c(OCC[C@H]2CCCO2)c1 ZINC000087272510 179406906 /nfs/dbraw/zinc/40/69/06/179406906.db2.gz QZUPULHTXSLUNN-CYBMUJFWSA-N 1 0 265.353 2.144 10 0 CEAERO COc1ccc(Cl)cc1[C@H](C[NH3+])[C@H](O)C(C)C ZINC000087375632 179417221 /nfs/dbraw/zinc/41/72/21/179417221.db2.gz BGUGLHBGEONASJ-WCQYABFASA-N 1 0 257.761 2.408 10 0 CEAERO COc1ccccc1[C@H](C[NH3+])[C@@H](O)CCc1ccco1 ZINC000087371558 179417271 /nfs/dbraw/zinc/41/72/71/179417271.db2.gz CDJKZDNVMRTPCN-GJZGRUSLSA-N 1 0 275.348 2.324 10 0 CEAERO CCc1ccsc1C[NH2+]C1CCS(=O)CC1 ZINC000087308833 179411365 /nfs/dbraw/zinc/41/13/65/179411365.db2.gz ALALCVGKCIEIHU-UHFFFAOYSA-N 1 0 257.424 2.311 10 0 CEAERO CCc1nsc(N2Cc3ccccc3C[C@@H]2C[NH2+]C)n1 ZINC000087643635 179462998 /nfs/dbraw/zinc/46/29/98/179462998.db2.gz BTMNWXNBAKPIAI-CYBMUJFWSA-N 1 0 288.420 2.251 10 0 CEAERO [NH3+][C@@H]1CC[C@](O)(Cc2cc(Br)ccc2F)C1 ZINC000087654131 179463648 /nfs/dbraw/zinc/46/36/48/179463648.db2.gz NNYYGPZRDNEEGC-PWSUYJOCSA-N 1 0 288.160 2.373 10 0 CEAERO C[C@H]1CCC[NH2+][C@@H]1C(=O)N1CCCC(C)(C)CC1 ZINC000087658353 179464496 /nfs/dbraw/zinc/46/44/96/179464496.db2.gz YYUWZLJDWXQYNP-STQMWFEESA-N 1 0 252.402 2.413 10 0 CEAERO COCCCc1noc([C@H](C)CCC[C@H](C)[NH3+])n1 ZINC000087672406 179467271 /nfs/dbraw/zinc/46/72/71/179467271.db2.gz NHQQQGZTZUZBQP-MNOVXSKESA-N 1 0 255.362 2.270 10 0 CEAERO C[C@H](CCC[C@H](C)[NH3+])C(=O)N(C)[C@@H]1CCSC1 ZINC000087684253 179470574 /nfs/dbraw/zinc/47/05/74/179470574.db2.gz CSYGZDBGXPARHZ-GRYCIOLGSA-N 1 0 258.431 2.104 10 0 CEAERO C[C@@H]([NH3+])CCC[C@H](C)C(=O)NCCOC1CCCC1 ZINC000087703053 179473180 /nfs/dbraw/zinc/47/31/80/179473180.db2.gz PNTLTFZNBVAIMR-QWHCGFSZSA-N 1 0 270.417 2.215 10 0 CEAERO Cc1ccc(CN(C)C(=O)[C@@H](C[NH3+])C(C)C)c(C)c1 ZINC000087525401 179440713 /nfs/dbraw/zinc/44/07/13/179440713.db2.gz WAJHCPMVILDGJZ-HNNXBMFYSA-N 1 0 262.397 2.493 10 0 CEAERO CC(C)CN(CC(F)(F)F)C(=O)[C@@H](C[NH3+])C(C)C ZINC000087526260 179441365 /nfs/dbraw/zinc/44/13/65/179441365.db2.gz DOWBPSPHJIVCBM-JTQLQIEISA-N 1 0 268.323 2.264 10 0 CEAERO O=C(Nc1ccc(O)c(F)c1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000087620040 179456306 /nfs/dbraw/zinc/45/63/06/179456306.db2.gz MTSVOEFSNWTXSW-CYBMUJFWSA-N 1 0 286.306 2.357 10 0 CEAERO [NH3+]CCN1CCCC[C@@H](c2ccc3ccnnc3c2)C1 ZINC000616627395 348539680 /nfs/dbraw/zinc/53/96/80/348539680.db2.gz ARIDIQDQZSVRKY-OAHLLOKOSA-N 1 0 270.380 2.158 10 0 CEAERO CCOC(=O)c1cccc([C@@H]2CCC[N@H+](CCO)CC2)c1 ZINC000616629217 348540108 /nfs/dbraw/zinc/54/01/08/348540108.db2.gz UGEBXWXTKZNKTI-CQSZACIVSA-N 1 0 291.391 2.425 10 0 CEAERO Nc1cccc([C@@H]2COCC[N@H+](Cc3ccccc3)C2)n1 ZINC000616660849 348551922 /nfs/dbraw/zinc/55/19/22/348551922.db2.gz QDABDECJILIOMV-HNNXBMFYSA-N 1 0 283.375 2.280 10 0 CEAERO COC(=O)N1CC[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000616635194 348541829 /nfs/dbraw/zinc/54/18/29/348541829.db2.gz DWZDQXNIUJKZCP-NSHDSACASA-N 1 0 254.717 2.053 10 0 CEAERO CC(C)(C)[N@@H+]1CCOC[C@@H]1c1ccc(CCO)cc1 ZINC000616636313 348542110 /nfs/dbraw/zinc/54/21/10/348542110.db2.gz DAKUTTJYGGSPIR-OAHLLOKOSA-N 1 0 263.381 2.393 10 0 CEAERO CCOC(=O)N1CC[NH2+]C[C@@H]1c1ccc2ncccc2c1 ZINC000616636692 348542771 /nfs/dbraw/zinc/54/27/71/348542771.db2.gz APAGSVVNKCGMIT-OAHLLOKOSA-N 1 0 285.347 2.338 10 0 CEAERO OCc1cccc([C@@H]2C[NH2+]CCN2Cc2ccccc2)c1 ZINC000616636785 348543252 /nfs/dbraw/zinc/54/32/52/348543252.db2.gz YWKRJAYBTVQLPB-SFHVURJKSA-N 1 0 282.387 2.325 10 0 CEAERO Nc1ccccc1[C@@H]1C[NH2+]CCN1Cc1ccccc1 ZINC000616636825 348543281 /nfs/dbraw/zinc/54/32/81/348543281.db2.gz ZQAZCNGYRZQTQE-KRWDZBQOSA-N 1 0 267.376 2.415 10 0 CEAERO COc1cccc(N[C@]2(C[NH3+])CCCOCC2)c1 ZINC000087916422 179522498 /nfs/dbraw/zinc/52/24/98/179522498.db2.gz XPTVSLLKSJHENO-CQSZACIVSA-N 1 0 250.342 2.005 10 0 CEAERO CCc1nc(N[C@H](CC)C(C)C)c(C)c(NN)[nH+]1 ZINC000087918602 179523437 /nfs/dbraw/zinc/52/34/37/179523437.db2.gz DZYMVFUEWWOEJK-SNVBAGLBSA-N 1 0 251.378 2.480 10 0 CEAERO C[C@@H]([NH2+]C[C@H](c1ccccc1)N(C)C)C(C)(C)O ZINC000087817318 179491868 /nfs/dbraw/zinc/49/18/68/179491868.db2.gz WFIIVBCCJMSMAG-TZMCWYRMSA-N 1 0 250.386 2.038 10 0 CEAERO [NH3+][C@H]1CN(C(=O)CC2CC2)CC[C@H]1c1ccc(F)cc1 ZINC000616569926 348523429 /nfs/dbraw/zinc/52/34/29/348523429.db2.gz LAQUUABAAJCFSE-GJZGRUSLSA-N 1 0 276.355 2.269 10 0 CEAERO CC[C@@H]1CCN(C(=O)/C=C/c2ccccc2)C[C@@H]1[NH3+] ZINC000616570051 348523593 /nfs/dbraw/zinc/52/35/93/348523593.db2.gz LNTRKMZPXHDNDI-PQAPVRDISA-N 1 0 258.365 2.286 10 0 CEAERO CCC[NH2+][C@H](c1ccccc1OC)[C@@H]1COCCO1 ZINC000087858691 179503146 /nfs/dbraw/zinc/50/31/46/179503146.db2.gz PJHUOVHRFHCURJ-LSDHHAIUSA-N 1 0 265.353 2.151 10 0 CEAERO CC(C)C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C1CCCC1 ZINC000616571703 348524429 /nfs/dbraw/zinc/52/44/29/348524429.db2.gz REAKJSXSIWGWKQ-KGLIPLIRSA-N 1 0 252.402 2.317 10 0 CEAERO CC1(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000616572026 348524439 /nfs/dbraw/zinc/52/44/39/348524439.db2.gz SQLRQMFTYGATMH-ZIAGYGMSSA-N 1 0 276.355 2.188 10 0 CEAERO Cc1nc(N[C@@H](C)Cc2ccsc2)cc(NN)[nH+]1 ZINC000087865430 179505301 /nfs/dbraw/zinc/50/53/01/179505301.db2.gz TVEGKALEQOOATA-QMMMGPOBSA-N 1 0 263.370 2.175 10 0 CEAERO [NH3+]CCN1c2ccccc2NC[C@@H]1c1ccccc1CO ZINC000616586508 348526989 /nfs/dbraw/zinc/52/69/89/348526989.db2.gz PXUJEUSMTNFLTP-QGZVFWFLSA-N 1 0 283.375 2.111 10 0 CEAERO Nc1ccc([C@@H]2CC[N@H+](Cc3ccccc3)CCO2)cn1 ZINC000616595496 348528264 /nfs/dbraw/zinc/52/82/64/348528264.db2.gz VQESZDZGXOIFEV-INIZCTEOSA-N 1 0 283.375 2.458 10 0 CEAERO CC(=O)Nc1ccccc1[C@@H]1CCCN(CC[NH3+])CC1 ZINC000616600423 348529983 /nfs/dbraw/zinc/52/99/83/348529983.db2.gz FDPKPMJRHYXWQJ-CQSZACIVSA-N 1 0 275.396 2.173 10 0 CEAERO OCC[N@@H+]1CCCC[C@H](c2cnnc3ccccc32)C1 ZINC000616603124 348532077 /nfs/dbraw/zinc/53/20/77/348532077.db2.gz BHMMOGQLCPNMBE-ZDUSSCGKSA-N 1 0 271.364 2.192 10 0 CEAERO Nc1cc[nH+]cc1C[C@@H](O)[C@@H]1CCc2ccccc2C1 ZINC000088016717 179535797 /nfs/dbraw/zinc/53/57/97/179535797.db2.gz OGMMAMTTYBFFGE-RHSMWYFYSA-N 1 0 268.360 2.372 10 0 CEAERO C[NH2+][C@@H](C)CCc1nc([C@@H]2COc3ccccc3C2)no1 ZINC000088043189 179538724 /nfs/dbraw/zinc/53/87/24/179538724.db2.gz TXPUQMUYUPCTII-AAEUAGOBSA-N 1 0 287.363 2.329 10 0 CEAERO [NH3+]CCC[S@@](=O)Cc1cc(Br)ccc1F ZINC000088066851 179544129 /nfs/dbraw/zinc/54/41/29/179544129.db2.gz IVOVVJWEXLOJHQ-HNNXBMFYSA-N 1 0 294.189 2.186 10 0 CEAERO CC[C@H]([NH3+])C[S@@](=O)Cc1ccc(Cl)s1 ZINC000088073384 179544710 /nfs/dbraw/zinc/54/47/10/179544710.db2.gz GNIGVMYNZUFWEZ-WJWGPLDTSA-N 1 0 251.804 2.388 10 0 CEAERO CCC[NH2+]C[C@H](c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000088097957 179546979 /nfs/dbraw/zinc/54/69/79/179546979.db2.gz YIKDYFAGUCWGEM-HUUCEWRRSA-N 1 0 281.421 2.205 10 0 CEAERO C[C@H](C[NH3+])C[S@](=O)c1cccc(Br)c1 ZINC000088145387 179556127 /nfs/dbraw/zinc/55/61/27/179556127.db2.gz IHVANKUASOTXLC-XLKFXECMSA-N 1 0 276.199 2.152 10 0 CEAERO CC(C)c1nsc(N2CCC([C@@H](C)[NH3+])CC2)n1 ZINC000087642676 539653396 /nfs/dbraw/zinc/65/33/96/539653396.db2.gz KLCNFMNHGAYMGV-SECBINFHSA-N 1 0 254.403 2.225 10 0 CEAERO c1ccc(C[N@@H+]2CCO[C@H](c3ncccn3)CC2)cc1 ZINC000616664066 348554221 /nfs/dbraw/zinc/55/42/21/348554221.db2.gz MWBSBONLGQQMIS-HNNXBMFYSA-N 1 0 269.348 2.440 10 0 CEAERO CC(C)(C)[N@@H+]1CCO[C@H](c2ccccc2C(N)=O)CC1 ZINC000616684082 348560226 /nfs/dbraw/zinc/56/02/26/348560226.db2.gz BQKSFQHLOOBFFL-AWEZNQCLSA-N 1 0 276.380 2.347 10 0 CEAERO [NH3+]CCN1c2ccccc2NC[C@@H]1c1cccc(CO)c1 ZINC000616691777 348562055 /nfs/dbraw/zinc/56/20/55/348562055.db2.gz NURXJIYQINHICX-QGZVFWFLSA-N 1 0 283.375 2.111 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1c1nc(C2Cc3ccccc3C2)no1 ZINC000087996967 179533271 /nfs/dbraw/zinc/53/32/71/179533271.db2.gz HZJKEBDHLJLOTK-HZMBPMFUSA-N 1 0 269.348 2.275 10 0 CEAERO CCC[NH2+]CCOCCOc1ccccc1OC ZINC000088412720 179594791 /nfs/dbraw/zinc/59/47/91/179594791.db2.gz SRGSAPMWWQJYKG-UHFFFAOYSA-N 1 0 253.342 2.090 10 0 CEAERO CC[C@H](C)[C@@H]1CN(CCOc2ccc(OC)cc2)CC[NH2+]1 ZINC000088415494 179595410 /nfs/dbraw/zinc/59/54/10/179595410.db2.gz JMQNGEPOTSRLSF-YOEHRIQHSA-N 1 0 292.423 2.394 10 0 CEAERO CN(CCC(F)(F)F)C(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000088420305 179597116 /nfs/dbraw/zinc/59/71/16/179597116.db2.gz WEYQEFRHMWILDO-LBPRGKRZSA-N 1 0 286.297 2.284 10 0 CEAERO CC(C)OCCC[NH2+]CCN(C)CCC(F)(F)F ZINC000088438190 179601750 /nfs/dbraw/zinc/60/17/50/179601750.db2.gz PPWUZIIVXQOZCY-UHFFFAOYSA-N 1 0 270.339 2.275 10 0 CEAERO CC[C@H]([NH3+])Cc1c(C)nn(C)c1N(C)CCC(F)(F)F ZINC000088439302 179602243 /nfs/dbraw/zinc/60/22/43/179602243.db2.gz PISRUUKBRDKVTG-JTQLQIEISA-N 1 0 292.349 2.397 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H](C(=O)N(C)c2ccccc2F)C1 ZINC000088450829 179606176 /nfs/dbraw/zinc/60/61/76/179606176.db2.gz UHWOCIRUHSGLSY-WDEREUQCSA-N 1 0 250.317 2.034 10 0 CEAERO Cc1nn(C)c(C)c1OCC[NH2+]CCc1ccsc1 ZINC000088453996 179607276 /nfs/dbraw/zinc/60/72/76/179607276.db2.gz CLCMUQLCMYYJQI-UHFFFAOYSA-N 1 0 279.409 2.310 10 0 CEAERO COCCC[NH2+]CCN1CCCCc2ccccc21 ZINC000088336436 179579604 /nfs/dbraw/zinc/57/96/04/179579604.db2.gz PUSNBPKSVTWIOE-UHFFFAOYSA-N 1 0 262.397 2.455 10 0 CEAERO CC[NH2+][C@H](Cc1ncnn1C)c1cccc(OCC)c1 ZINC000088581634 179629434 /nfs/dbraw/zinc/62/94/34/179629434.db2.gz UDOZVUKZHSNNQN-CQSZACIVSA-N 1 0 274.368 2.107 10 0 CEAERO CCCn1ncnc1COc1cccc([C@H](C)[NH3+])c1 ZINC000088585342 179631547 /nfs/dbraw/zinc/63/15/47/179631547.db2.gz SMHDRQBSJQDZFU-NSHDSACASA-N 1 0 260.341 2.287 10 0 CEAERO CC(C)Cn1ncnc1CN1CCCC[C@@H]1C[NH2+]C(C)C ZINC000088595341 179632845 /nfs/dbraw/zinc/63/28/45/179632845.db2.gz BYXUORFXJBCHNF-OAHLLOKOSA-N 1 0 293.459 2.287 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+][C@H]2CCOC2)C1 ZINC000088698039 179652413 /nfs/dbraw/zinc/65/24/13/179652413.db2.gz YDHBIFMNSCAZLX-OLZOCXBDSA-N 1 0 284.400 2.012 10 0 CEAERO C[NH2+][C@H](Cc1ncnn1C(C)C)[C@H]1Cc2ccccc21 ZINC000088612638 179639430 /nfs/dbraw/zinc/63/94/30/179639430.db2.gz BHNQBVMNNAOVQU-LSDHHAIUSA-N 1 0 270.380 2.329 10 0 CEAERO CCCn1ncnc1CC1(C[NH2+]C(C)C)CCOCC1 ZINC000088621750 179641278 /nfs/dbraw/zinc/64/12/78/179641278.db2.gz HPWRJTGXWRAVCY-UHFFFAOYSA-N 1 0 280.416 2.025 10 0 CEAERO C[NH2+][C@@H](Cc1ccncc1)Cc1ccc(OC)c(OC)c1 ZINC000088529965 179618365 /nfs/dbraw/zinc/61/83/65/179618365.db2.gz GHBAPHRQPFUDJH-HNNXBMFYSA-N 1 0 286.375 2.472 10 0 CEAERO CC[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@@H]1C)c1cccs1 ZINC000104213253 185933166 /nfs/dbraw/zinc/93/31/66/185933166.db2.gz VCMVTWNUEZZWKR-HBNTYKKESA-N 1 0 252.383 2.171 10 0 CEAERO Cc1ccccc1S(=O)(=O)N(C)CC[C@@H]1CCCC[NH2+]1 ZINC000088715608 179656795 /nfs/dbraw/zinc/65/67/95/179656795.db2.gz JZZFQEVAFXPXSK-AWEZNQCLSA-N 1 0 296.436 2.148 10 0 CEAERO CC[NH2+]CCCc1c(C)nc(COCC)nc1C ZINC000088738930 179661765 /nfs/dbraw/zinc/66/17/65/179661765.db2.gz AXKIIIQTXHKFQL-UHFFFAOYSA-N 1 0 251.374 2.172 10 0 CEAERO CCc1nc(CC)n([C@H]2CCCCC[C@@H]2C[NH3+])n1 ZINC000088740315 179662119 /nfs/dbraw/zinc/66/21/19/179662119.db2.gz FATORLHLVODLKG-NEPJUHHUSA-N 1 0 250.390 2.483 10 0 CEAERO CCc1nc(CC)n([C@H](c2ccccn2)[C@H]([NH3+])CC)n1 ZINC000088740141 179662323 /nfs/dbraw/zinc/66/23/23/179662323.db2.gz FPUQKMJHMJMNGV-ABAIWWIYSA-N 1 0 273.384 2.125 10 0 CEAERO CC[NH2+]CCCCS(=O)(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000089006634 179691228 /nfs/dbraw/zinc/69/12/28/179691228.db2.gz QIOVENNRPSZHPS-KBPBESRZSA-N 1 0 290.473 2.216 10 0 CEAERO CCC1(CC)C[NH2+][C@@H](C)CN1CCOC(F)(F)F ZINC000089056866 179694781 /nfs/dbraw/zinc/69/47/81/179694781.db2.gz DGBBALWRRLPARW-JTQLQIEISA-N 1 0 268.323 2.375 10 0 CEAERO C[C@H]1CN(CCOC(F)(F)F)C2(CCCC2)C[NH2+]1 ZINC000089056870 179695140 /nfs/dbraw/zinc/69/51/40/179695140.db2.gz SEDGLVADPUZEPM-JTQLQIEISA-N 1 0 266.307 2.129 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1cccc2[nH]ccc21 ZINC000089090918 539688735 /nfs/dbraw/zinc/68/87/35/539688735.db2.gz QPOLPTUKIFIQGP-GWCFXTLKSA-N 1 0 257.337 2.025 10 0 CEAERO Cc1ccc(C[NH2+]CCn2c(C)nc(C)cc2=O)s1 ZINC000104260793 185946866 /nfs/dbraw/zinc/94/68/66/185946866.db2.gz FQWAHLVOJQFUJD-UHFFFAOYSA-N 1 0 277.393 2.020 10 0 CEAERO CCN(C(=O)Cc1ccccc1F)[C@H]1CCC[C@H]1C[NH3+] ZINC000089114363 179708354 /nfs/dbraw/zinc/70/83/54/179708354.db2.gz DDKFKHBUJVIRSU-ZFWWWQNUSA-N 1 0 278.371 2.344 10 0 CEAERO CN(C(=O)CCOc1ccccc1)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089118874 179711350 /nfs/dbraw/zinc/71/13/50/179711350.db2.gz ZHLAYHGKQAHDOE-GDBMZVCRSA-N 1 0 290.407 2.431 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1Nc1cc(Cl)ccc1-n1cncn1 ZINC000089148445 179724095 /nfs/dbraw/zinc/72/40/95/179724095.db2.gz ARQKNQUWVNLJSV-PWSUYJOCSA-N 1 0 291.786 2.460 10 0 CEAERO CCn1nc(C)cc1Cn1ccnc1C[NH2+]C(C)(C)C ZINC000089188768 179748279 /nfs/dbraw/zinc/74/82/79/179748279.db2.gz BOGPSWPKQXUVBJ-UHFFFAOYSA-N 1 0 275.400 2.344 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C)CN1Cc1nn(C)c2ccccc12 ZINC000089180281 179744089 /nfs/dbraw/zinc/74/40/89/179744089.db2.gz IQZNCPGPWFYBKB-CHWSQXEVSA-N 1 0 272.396 2.146 10 0 CEAERO Cc1cc(COc2cccc3c2CC[C@H]3[NH3+])n(C)n1 ZINC000089181539 179745381 /nfs/dbraw/zinc/74/53/81/179745381.db2.gz PABLETWDNQPNCA-CQSZACIVSA-N 1 0 257.337 2.254 10 0 CEAERO CCc1cc(CN(C)[C@@](C)(CC)C[NH3+])n(CC)n1 ZINC000089181827 179746216 /nfs/dbraw/zinc/74/62/16/179746216.db2.gz GPXNNYFTCXVFOV-AWEZNQCLSA-N 1 0 252.406 2.025 10 0 CEAERO CCC[NH2+][C@H](CCc1cc(C)nn1CC)COC ZINC000089187545 179747344 /nfs/dbraw/zinc/74/73/44/179747344.db2.gz HGUNUMHXXSVDFN-CYBMUJFWSA-N 1 0 253.390 2.159 10 0 CEAERO C[C@@H]1CCC[C@](C[NH3+])(NC(=O)c2ccccc2F)C1 ZINC000104303138 185960795 /nfs/dbraw/zinc/96/07/95/185960795.db2.gz IUBBSYQEQVUSRC-ABAIWWIYSA-N 1 0 264.344 2.463 10 0 CEAERO C[C@H](NCc1ccccc1OC(F)F)[C@H]1CC[NH2+]C1 ZINC000400485050 233178970 /nfs/dbraw/zinc/17/89/70/233178970.db2.gz XCVLLRCCJAJPMG-QWRGUYRKSA-N 1 0 270.323 2.376 10 0 CEAERO CCOc1ccccc1OCC[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401484561 233182381 /nfs/dbraw/zinc/18/23/81/233182381.db2.gz BVYZXJMZYAZHCQ-ZIAGYGMSSA-N 1 0 279.380 2.167 10 0 CEAERO CCc1cc(C[C@H]([NH3+])Cc2ccccc2OC)n(C)n1 ZINC000089193537 179749876 /nfs/dbraw/zinc/74/98/76/179749876.db2.gz NBZUBIYARCZDLX-CYBMUJFWSA-N 1 0 273.380 2.104 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1ccc2c(c1)CCC2 ZINC000089449226 539716316 /nfs/dbraw/zinc/71/63/16/539716316.db2.gz CRLWTOXVFGPPHG-HIFRSBDPSA-N 1 0 258.365 2.489 10 0 CEAERO Cc1ccccc1CN(C)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089450868 539716352 /nfs/dbraw/zinc/71/63/52/539716352.db2.gz FYWFXOMIFDMVBD-ZFWWWQNUSA-N 1 0 260.381 2.328 10 0 CEAERO CC[C@H](C)[C@@H]1CN(Cc2cc(C)nn2C)[C@H](C2CC2)C[NH2+]1 ZINC000089210295 179755202 /nfs/dbraw/zinc/75/52/02/179755202.db2.gz UVDGWXXICGFNRH-ZLIFDBKOSA-N 1 0 290.455 2.327 10 0 CEAERO C[C@H](CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000089460165 539718246 /nfs/dbraw/zinc/71/82/46/539718246.db2.gz SQQVWEFQFNAKHU-BPLDGKMQSA-N 1 0 260.381 2.281 10 0 CEAERO Cc1cc(CN2C[C@@H](C3CC3)[NH2+]C[C@@]2(C)C2CC2)n(C)n1 ZINC000089211190 179755585 /nfs/dbraw/zinc/75/55/85/179755585.db2.gz FHXZRRXXDBUVJN-IRXDYDNUSA-N 1 0 288.439 2.081 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@@](C)(C2CC2)CN1Cc1cc(C)nn1C ZINC000089210835 179755745 /nfs/dbraw/zinc/75/57/45/179755745.db2.gz WZENUWRVYRKJDG-DLBZAZTESA-N 1 0 290.455 2.471 10 0 CEAERO Cc1csc([C@H](C)NC(=O)[C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000089463167 539718824 /nfs/dbraw/zinc/71/88/24/539718824.db2.gz PBSRXGFYYSOUHH-AXFHLTTASA-N 1 0 267.398 2.004 10 0 CEAERO COc1cc(F)ccc1NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089460646 539718920 /nfs/dbraw/zinc/71/89/20/539718920.db2.gz HTWQXLVKGIRHSP-KOLCDFICSA-N 1 0 266.316 2.148 10 0 CEAERO CC[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000089482144 539719947 /nfs/dbraw/zinc/71/99/47/539719947.db2.gz VBJPHVJOKOTGKB-YIYPIFLZSA-N 1 0 252.402 2.446 10 0 CEAERO C[C@H](OCc1ccccc1)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000404495829 233193407 /nfs/dbraw/zinc/19/34/07/233193407.db2.gz GDNJLDJUFZGINE-DZKIICNBSA-N 1 0 290.407 2.035 10 0 CEAERO Cc1ccc(CN(C)C(=O)[C@@H]2CCCC[C@@H]2C[NH3+])o1 ZINC000089387816 179778030 /nfs/dbraw/zinc/77/80/30/179778030.db2.gz GTTMKTQDGGKWCP-TZMCWYRMSA-N 1 0 264.369 2.312 10 0 CEAERO CCOc1cccc(CNC(=O)[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000089390321 179778846 /nfs/dbraw/zinc/77/88/46/179778846.db2.gz GBQPGNQLHOGIAF-HOCLYGCPSA-N 1 0 290.407 2.467 10 0 CEAERO CCC1CCC(O)(CNC(=O)[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000089401228 179781318 /nfs/dbraw/zinc/78/13/18/179781318.db2.gz KDVABHREQVRBHJ-GYMHETDLSA-N 1 0 296.455 2.199 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1cc(F)ccc1F ZINC000089449055 179791827 /nfs/dbraw/zinc/79/18/27/179791827.db2.gz OIXMHCKTJJJABN-PSASIEDQSA-N 1 0 254.280 2.278 10 0 CEAERO CC(=O)c1ccc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089460028 179795246 /nfs/dbraw/zinc/79/52/46/179795246.db2.gz VSUZYTJOXSTRCC-GXTWGEPZSA-N 1 0 260.337 2.203 10 0 CEAERO CCOC(=O)c1cccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000089460093 179795352 /nfs/dbraw/zinc/79/53/52/179795352.db2.gz FEFAFOQIBQXUCI-JSGCOSHPSA-N 1 0 290.363 2.177 10 0 CEAERO [NH2+]=C(NC[C@H]1CCCC[C@@H]1CO)Nc1ccccc1 ZINC000089534896 179811648 /nfs/dbraw/zinc/81/16/48/179811648.db2.gz ILDYIZMALVQALM-CHWSQXEVSA-N 1 0 261.369 2.422 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@H]1COCC(=O)NCc1ccccc1 ZINC000089535489 179812206 /nfs/dbraw/zinc/81/22/06/179812206.db2.gz JKKKLPJAWZEWIG-CVEARBPZSA-N 1 0 290.407 2.085 10 0 CEAERO CC(C)(C)OC(=O)N[C@@H]1C[NH2+]C[C@@H]1c1ccc(F)cc1 ZINC000068575193 362943236 /nfs/dbraw/zinc/94/32/36/362943236.db2.gz NGLYODSLROCQTQ-CHWSQXEVSA-N 1 0 280.343 2.406 10 0 CEAERO COCc1cccc(C[NH2+]C[C@H]2CCC[C@H]2CO)c1 ZINC000089492784 179802939 /nfs/dbraw/zinc/80/29/39/179802939.db2.gz CNDDXDPABSAGFW-CVEARBPZSA-N 1 0 263.381 2.331 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1CNC(=O)c1cccc(OC(F)F)c1 ZINC000089500581 179804961 /nfs/dbraw/zinc/80/49/61/179804961.db2.gz LOEWHDRDEBRNPO-NWDGAFQWSA-N 1 0 298.333 2.393 10 0 CEAERO CC(C)c1nsc(NC[C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000089501220 179805380 /nfs/dbraw/zinc/80/53/80/179805380.db2.gz QFYLKFQKKLABCO-ZJUUUORDSA-N 1 0 254.403 2.448 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1CNc1ncnc2ccccc21 ZINC000089501106 179805556 /nfs/dbraw/zinc/80/55/56/179805556.db2.gz QNICAJWJTAYZOR-RYUDHWBXSA-N 1 0 256.353 2.417 10 0 CEAERO CC1(C)[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2CO)[C@@H]2CCO[C@@H]21 ZINC000089523567 179809352 /nfs/dbraw/zinc/80/93/52/179809352.db2.gz DAGNTNKIXIINQS-ZQNQSHIBSA-N 1 0 267.413 2.188 10 0 CEAERO O=C(C[NH2+]C[C@H]1CCCC[C@H]1CO)Nc1cccc(F)c1 ZINC000089528554 179809749 /nfs/dbraw/zinc/80/97/49/179809749.db2.gz CGYUHFHDIPBOFK-OLZOCXBDSA-N 1 0 294.370 2.153 10 0 CEAERO Cc1cc(C(=O)N(c2ccc(C[NH3+])cc2)C(C)C)n(C)n1 ZINC000090120380 179916467 /nfs/dbraw/zinc/91/64/67/179916467.db2.gz XLXWRFGYLICKLY-UHFFFAOYSA-N 1 0 286.379 2.242 10 0 CEAERO CC(C)C[C@](C)(O)C[NH2+]C[C@H](O)c1ccc(F)cc1F ZINC000090272092 179944725 /nfs/dbraw/zinc/94/47/25/179944725.db2.gz OBLNJQGYQPVPGM-GJZGRUSLSA-N 1 0 287.350 2.385 10 0 CEAERO CN(Cc1c[nH]c2ccc(Br)cc12)C1C[NH2+]C1 ZINC000090289641 179949815 /nfs/dbraw/zinc/94/98/15/179949815.db2.gz BWSRFOYHZXYWES-UHFFFAOYSA-N 1 0 294.196 2.334 10 0 CEAERO CCN(C(=O)Nc1ccccc1Cl)C1C[NH2+]C1 ZINC000090291317 179951129 /nfs/dbraw/zinc/95/11/29/179951129.db2.gz HMNFNFCDKZQCII-UHFFFAOYSA-N 1 0 253.733 2.166 10 0 CEAERO CC(C)(C)[NH2+]Cc1cncn1CCc1cccnc1 ZINC000090240884 179937950 /nfs/dbraw/zinc/93/79/50/179937950.db2.gz FFZWNVAJZMCJDK-UHFFFAOYSA-N 1 0 258.369 2.409 10 0 CEAERO O=C(Nc1ccccc1C(F)(F)F)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090321799 179957656 /nfs/dbraw/zinc/95/76/56/179957656.db2.gz MLNLUJCMUVMPNE-UWVGGRQHSA-N 1 0 299.296 2.389 10 0 CEAERO FC(F)(F)c1ccc(N2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000090322849 179958495 /nfs/dbraw/zinc/95/84/95/179958495.db2.gz DHRFBJKREQOJTF-NXEZZACHSA-N 1 0 256.271 2.361 10 0 CEAERO CCC[NH2+][C@@](C)(CCCOCCC(C)(C)C)C(N)=O ZINC000090350680 179972314 /nfs/dbraw/zinc/97/23/14/179972314.db2.gz CQIGLYCFBWMKOF-HNNXBMFYSA-N 1 0 272.433 2.463 10 0 CEAERO CC(C)CC[C@@H](C)NC(=O)CS[C@@H](C)CC[NH3+] ZINC000090355050 179974295 /nfs/dbraw/zinc/97/42/95/179974295.db2.gz MPHFZXHVGLAXAE-NEPJUHHUSA-N 1 0 260.447 2.398 10 0 CEAERO Cc1cccc2c1nc(CSCC(C)(C)[NH3+])[nH]c2=O ZINC000090358515 179976480 /nfs/dbraw/zinc/97/64/80/179976480.db2.gz FWKBBAQVRCKWCS-UHFFFAOYSA-N 1 0 277.393 2.202 10 0 CEAERO CC(C)(C)n1c2ccccc2nc1[C@@H]1COC[C@@H]1[NH3+] ZINC000090363635 179977747 /nfs/dbraw/zinc/97/77/47/179977747.db2.gz LAKCUMVZOIGOHP-MNOVXSKESA-N 1 0 259.353 2.232 10 0 CEAERO CC[NH2+][C@@H]1COC[C@H]1c1nc2ccccc2n1CC ZINC000090472260 179989015 /nfs/dbraw/zinc/98/90/15/179989015.db2.gz KHVFTYVINXENNU-DGCLKSJQSA-N 1 0 259.353 2.148 10 0 CEAERO CC[NH2+][C@H]1COC[C@H]1C(=O)Nc1cccc(Cl)c1F ZINC000090488377 179991295 /nfs/dbraw/zinc/99/12/95/179991295.db2.gz BREYNSLCDSHSQL-KCJUWKMLSA-N 1 0 286.734 2.042 10 0 CEAERO CC[NH2+][C@@H]1COC[C@@H]1CN(CC)c1ccccc1C ZINC000090493458 179991945 /nfs/dbraw/zinc/99/19/45/179991945.db2.gz XBSSXCULIRAJDV-LSDHHAIUSA-N 1 0 262.397 2.446 10 0 CEAERO CCOc1ccccc1OCCSCC1C[NH2+]C1 ZINC000090713063 180028421 /nfs/dbraw/zinc/02/84/21/180028421.db2.gz KNPQGRYXGUKSLD-UHFFFAOYSA-N 1 0 267.394 2.417 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccccc1CC ZINC000090539069 180000185 /nfs/dbraw/zinc/00/01/85/180000185.db2.gz QAVBKYDXCAMISP-HIFRSBDPSA-N 1 0 276.380 2.202 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccccc1SC ZINC000090540885 180000427 /nfs/dbraw/zinc/00/04/27/180000427.db2.gz QRJRWZNSSJQSSL-AAEUAGOBSA-N 1 0 294.420 2.362 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)Nc1cc(C)cc(C)c1 ZINC000090539032 180000494 /nfs/dbraw/zinc/00/04/94/180000494.db2.gz XJQURCPPRPUENM-CABCVRRESA-N 1 0 276.380 2.257 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)N(CC)c1ccccc1C ZINC000090538739 180000563 /nfs/dbraw/zinc/00/05/63/180000563.db2.gz WNETZDVGIRHXPO-GJZGRUSLSA-N 1 0 290.407 2.363 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)N(CCC(C)C)C1CC1 ZINC000090541817 180000817 /nfs/dbraw/zinc/00/08/17/180000817.db2.gz DKYKROSROGLQIY-GJZGRUSLSA-N 1 0 282.428 2.038 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)N(C)c1cc(C)cc(C)c1 ZINC000090544414 180001047 /nfs/dbraw/zinc/00/10/47/180001047.db2.gz UZVHKPWMSPAHMH-CVEARBPZSA-N 1 0 290.407 2.281 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1CN(C)Cc1cccc(OC)c1 ZINC000090566335 180005557 /nfs/dbraw/zinc/00/55/57/180005557.db2.gz TUTOQDSEZLGBFF-WBVHZDCISA-N 1 0 292.423 2.142 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1CN1CCc2sccc2C1 ZINC000090565981 180005660 /nfs/dbraw/zinc/00/56/60/180005660.db2.gz KNNRRQPQPIUVFN-UONOGXRCSA-N 1 0 280.437 2.121 10 0 CEAERO CC(C)(C)n1c2ccccc2nc1[C@]1(C)COC[C@@H]1[NH3+] ZINC000090571673 180007751 /nfs/dbraw/zinc/00/77/51/180007751.db2.gz QDSYTZKJJUIBQN-XJKSGUPXSA-N 1 0 273.380 2.407 10 0 CEAERO CCCn1c2cccc(F)c2nc1[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090571789 180007928 /nfs/dbraw/zinc/00/79/28/180007928.db2.gz KQODIANIGUJUGY-WFASDCNBSA-N 1 0 277.343 2.201 10 0 CEAERO CC(C)c1ccc(NC(=O)[C@]2(C)COC[C@@H]2[NH3+])cc1 ZINC000090580634 180008796 /nfs/dbraw/zinc/00/87/96/180008796.db2.gz FCUMTLNRVWARAN-DZGCQCFKSA-N 1 0 262.353 2.112 10 0 CEAERO Fc1ccc(-c2noc(CSCC3C[NH2+]C3)n2)cc1 ZINC000090712760 180028804 /nfs/dbraw/zinc/02/88/04/180028804.db2.gz VXJBPKLOUYOILT-UHFFFAOYSA-N 1 0 279.340 2.328 10 0 CEAERO CCC[C@H](NC(=O)[C@@]1(C)COC[C@@H]1[NH3+])c1ccccc1 ZINC000090587746 180010555 /nfs/dbraw/zinc/01/05/55/180010555.db2.gz LQXKIDIXKUAAAC-DZKIICNBSA-N 1 0 276.380 2.008 10 0 CEAERO CN(Cc1ccc(Cl)s1)C[C@]1(C)COC[C@@H]1[NH3+] ZINC000090606791 180011246 /nfs/dbraw/zinc/01/12/46/180011246.db2.gz QPCIBYAHATZJQX-CMPLNLGQSA-N 1 0 274.817 2.197 10 0 CEAERO CCc1ccc(N(C)[C@@H](C[NH3+])CC(OC)OC)cc1 ZINC000090625269 180015419 /nfs/dbraw/zinc/01/54/19/180015419.db2.gz RUCJEZNRUIFRSP-CQSZACIVSA-N 1 0 266.385 2.022 10 0 CEAERO C[C@@H](Oc1nc2c(cc1C(N)=[NH2+])CCC2)C(F)(F)F ZINC000090673177 180021519 /nfs/dbraw/zinc/02/15/19/180021519.db2.gz KIVQJIKBQBDOGK-ZCFIWIBFSA-N 1 0 273.258 2.184 10 0 CEAERO CC(C)C(=O)N1CCCSC[C@@H]1C[NH+]1CCCCC1 ZINC000090701266 180027862 /nfs/dbraw/zinc/02/78/62/180027862.db2.gz YVKZJVHBUFKHBN-AWEZNQCLSA-N 1 0 284.469 2.462 10 0 CEAERO OCCC1(CCO)CCC[N@H+](Cc2ccccc2)C1 ZINC000090729458 180033405 /nfs/dbraw/zinc/03/34/05/180033405.db2.gz ZDHXVSJVTMNCQX-UHFFFAOYSA-N 1 0 263.381 2.034 10 0 CEAERO CC(C)Oc1cc(NC[C@H]([NH3+])c2ccccc2)ncn1 ZINC000090786086 180040009 /nfs/dbraw/zinc/04/00/09/180040009.db2.gz DOFDZJFFMYUFNY-ZDUSSCGKSA-N 1 0 272.352 2.376 10 0 CEAERO CC(C)CN(CCC[NH3+])c1cc(OC(C)C)ncn1 ZINC000090786003 180040117 /nfs/dbraw/zinc/04/01/17/180040117.db2.gz UZUOKFLWZRFAKX-UHFFFAOYSA-N 1 0 266.389 2.075 10 0 CEAERO COCCCS[C@H](C[NH3+])c1cccc(OC)c1 ZINC000104445465 186004849 /nfs/dbraw/zinc/00/48/49/186004849.db2.gz BXERCMXEVKIHOD-CYBMUJFWSA-N 1 0 255.383 2.465 10 0 CEAERO CC(C)Oc1cc(N[C@@H]2CCCC[C@H]2C[NH3+])ncn1 ZINC000090786207 180040998 /nfs/dbraw/zinc/04/09/98/180040998.db2.gz SPAAKWVACZDJMB-NWDGAFQWSA-N 1 0 264.373 2.193 10 0 CEAERO CCOc1ncnc(NC[C@H]2CCCC[C@@H]2C[NH3+])c1C ZINC000090790177 180041753 /nfs/dbraw/zinc/04/17/53/180041753.db2.gz XTHKAXDBYLPBEL-CHWSQXEVSA-N 1 0 278.400 2.361 10 0 CEAERO CCOc1ncnc(N2CCC[C@@H]2C[NH2+]C(C)C)c1C ZINC000090789879 180041842 /nfs/dbraw/zinc/04/18/42/180041842.db2.gz BMVFNIGCNMXESH-CYBMUJFWSA-N 1 0 278.400 2.151 10 0 CEAERO COc1cc(NC[C@]2([NH+](C)C)CCC[C@H](C)C2)ncn1 ZINC000090790325 180041898 /nfs/dbraw/zinc/04/18/98/180041898.db2.gz KQVNXXMZKIHIEN-WFASDCNBSA-N 1 0 278.400 2.408 10 0 CEAERO CCOc1ncnc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000090790782 180042020 /nfs/dbraw/zinc/04/20/20/180042020.db2.gz VYROPVRQAUFQGZ-LBPRGKRZSA-N 1 0 276.384 2.080 10 0 CEAERO CCOc1ncnc(N2CCC[C@H]2C[NH2+]CC(C)C)c1C ZINC000090789890 180042201 /nfs/dbraw/zinc/04/22/01/180042201.db2.gz AINWNDNCSATWNT-AWEZNQCLSA-N 1 0 292.427 2.398 10 0 CEAERO CCOc1ncnc(N(CC[NH3+])C2CCCCC2)c1C ZINC000090790132 180042301 /nfs/dbraw/zinc/04/23/01/180042301.db2.gz BLEUPJSKPNWUKB-UHFFFAOYSA-N 1 0 278.400 2.282 10 0 CEAERO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H](C)[S@](C)=O ZINC000090841544 180043356 /nfs/dbraw/zinc/04/33/56/180043356.db2.gz VRMBFNWPMFODPD-XAAFQQQXSA-N 1 0 297.420 2.093 10 0 CEAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H](C)[S@](C)=O ZINC000090841873 180043375 /nfs/dbraw/zinc/04/33/75/180043375.db2.gz LDNAUDFVVFAQLJ-SGJUXQJHSA-N 1 0 281.421 2.429 10 0 CEAERO C[C@H](C[NH2+][C@H]1CCCc2ccccc21)[S@](C)=O ZINC000090842548 180044365 /nfs/dbraw/zinc/04/43/65/180044365.db2.gz OPNSQTFOXDXNAR-HYSWKAIVSA-N 1 0 251.395 2.421 10 0 CEAERO CC[NH2+][C@@H]1C[C@H](OC2CCOCC2)C12CCCC2 ZINC000090862584 180047008 /nfs/dbraw/zinc/04/70/08/180047008.db2.gz DSKYOYMSTRKFBZ-KGLIPLIRSA-N 1 0 253.386 2.493 10 0 CEAERO Cc1nn(C)c(C)c1O[C@@H]1C[C@H]([NH3+])C12CCCCC2 ZINC000090865717 180047656 /nfs/dbraw/zinc/04/76/56/180047656.db2.gz HKWNMONCYOACNL-QWHCGFSZSA-N 1 0 263.385 2.466 10 0 CEAERO CC[NH2+][C@@H]1C[C@H](O[C@@H]2CCOC2)C12CCCCC2 ZINC000090864159 180048132 /nfs/dbraw/zinc/04/81/32/180048132.db2.gz WQOWHPQXHKNJJE-MCIONIFRSA-N 1 0 253.386 2.493 10 0 CEAERO [NH3+]Cc1nc(-c2nc3cc(F)c(F)cc3[nH]2)cs1 ZINC000090932813 180067012 /nfs/dbraw/zinc/06/70/12/180067012.db2.gz IMDXUVOZKBKPQN-UHFFFAOYSA-N 1 0 266.276 2.423 10 0 CEAERO CCn1ncnc1CSc1cccc(C[NH2+]C)c1 ZINC000090870681 180049086 /nfs/dbraw/zinc/04/90/86/180049086.db2.gz FACOIXFGHJLBTB-UHFFFAOYSA-N 1 0 262.382 2.310 10 0 CEAERO CCNC(=O)CSc1cccc(C[NH2+]C(C)C)c1 ZINC000090871995 180050192 /nfs/dbraw/zinc/05/01/92/180050192.db2.gz RDNIIVNIGRWZRR-UHFFFAOYSA-N 1 0 266.410 2.413 10 0 CEAERO CN1CC[C@@H](Sc2cccc(C[NH2+]C3CC3)c2)C1=O ZINC000090872126 180050226 /nfs/dbraw/zinc/05/02/26/180050226.db2.gz YOBAHGHPLFDFJG-CQSZACIVSA-N 1 0 276.405 2.261 10 0 CEAERO C[NH2+]C[C@]1(C[C@H]2Cc3cc(F)ccc3O2)CCOC1 ZINC000090895177 180055923 /nfs/dbraw/zinc/05/59/23/180055923.db2.gz WFKQEGYTPQGXGQ-UKRRQHHQSA-N 1 0 265.328 2.145 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](C[NH2+][C@H](CO)CC(C)C)O2 ZINC000090897553 180057135 /nfs/dbraw/zinc/05/71/35/180057135.db2.gz HGYQZCCTNHFECC-GJZGRUSLSA-N 1 0 263.381 2.295 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[NH2+]C[C@@H]1CCCCO1)O2 ZINC000090897764 180057149 /nfs/dbraw/zinc/05/71/49/180057149.db2.gz OZODBIMNOAZKIK-LSDHHAIUSA-N 1 0 261.365 2.457 10 0 CEAERO CC[C@H](C)[C@H]1C[NH2+]CCN1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090896144 180057213 /nfs/dbraw/zinc/05/72/13/180057213.db2.gz FCKNCPHAAZAYGB-VBNZEHGJSA-N 1 0 292.398 2.449 10 0 CEAERO C[C@@]1(C2CC2)C[NH2+]CCN1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090896140 180057324 /nfs/dbraw/zinc/05/73/24/180057324.db2.gz DPHOLGLDDIRTAC-RDJZCZTQSA-N 1 0 290.382 2.203 10 0 CEAERO Cc1ccc2c(c1)C[C@H](CC1(C[NH3+])CCOCC1)O2 ZINC000090901507 180058866 /nfs/dbraw/zinc/05/88/66/180058866.db2.gz QNEIDYKFULBRKZ-CQSZACIVSA-N 1 0 261.365 2.444 10 0 CEAERO Clc1ccc2c(c1)C[C@@H](C[NH2+]C1CCOCC1)O2 ZINC000090903652 180060244 /nfs/dbraw/zinc/06/02/44/180060244.db2.gz ARGMKAZVZWGDEW-ZDUSSCGKSA-N 1 0 267.756 2.412 10 0 CEAERO C[NH2+]Cc1cn(C[C@@H]2Cc3cc(C)ccc3O2)nc1C ZINC000090901918 180060371 /nfs/dbraw/zinc/06/03/71/180060371.db2.gz CWJBSWQMJRHRNQ-HNNXBMFYSA-N 1 0 271.364 2.223 10 0 CEAERO CCC[NH2+][C@@H](CN1C[C@H]2CC[C@@H](C1)O2)C(C)(C)C ZINC000090906049 180060929 /nfs/dbraw/zinc/06/09/29/180060929.db2.gz JIGJPFWZQVTNGP-MJBXVCDLSA-N 1 0 254.418 2.264 10 0 CEAERO C[NH2+][C@@H](CN1C[C@H]2CC[C@@H](C1)O2)c1ccccc1C ZINC000090906093 180061083 /nfs/dbraw/zinc/06/10/83/180061083.db2.gz FGKGXNDUPJRYQM-LZWOXQAQSA-N 1 0 260.381 2.119 10 0 CEAERO C[NH2+][C@@H](CN1C[C@H]2CC[C@@H](C1)O2)c1ccc(C)cc1 ZINC000090905981 180061345 /nfs/dbraw/zinc/06/13/45/180061345.db2.gz DMEOWVLYDVJQMV-XHSDSOJGSA-N 1 0 260.381 2.119 10 0 CEAERO CC(=O)c1ccc(NC(=O)c2csc(CC[NH3+])n2)cc1 ZINC000090952281 180073164 /nfs/dbraw/zinc/07/31/64/180073164.db2.gz AQJYHSACXHVVNC-UHFFFAOYSA-N 1 0 289.360 2.099 10 0 CEAERO CCN(C(=O)c1csc(CC[NH3+])n1)c1ccccc1F ZINC000090953496 180074159 /nfs/dbraw/zinc/07/41/59/180074159.db2.gz MNSKSBRUHOQAFW-UHFFFAOYSA-N 1 0 293.367 2.450 10 0 CEAERO C[C@@H]1CC[C@@H](NC(=O)c2csc(CC[NH3+])n2)C[C@@H]1C ZINC000090957429 180075102 /nfs/dbraw/zinc/07/51/02/180075102.db2.gz LZLQSWCGSITBSD-OUAUKWLOSA-N 1 0 281.425 2.199 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+]Cc1ccncc1 ZINC000090959177 180075514 /nfs/dbraw/zinc/07/55/14/180075514.db2.gz QGAOWYCLKKXWCJ-UHFFFAOYSA-N 1 0 261.350 2.391 10 0 CEAERO CC(=O)Nc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000090962551 180076917 /nfs/dbraw/zinc/07/69/17/180076917.db2.gz FIIQYXDYXLZMOV-HUUCEWRRSA-N 1 0 262.353 2.038 10 0 CEAERO CCOC(=O)[C@H]1CCC[N@@H+]1C[C@@H]1Cc2ccccc21 ZINC000090981405 180079107 /nfs/dbraw/zinc/07/91/07/180079107.db2.gz DJXBALKBQSKSGL-DZGCQCFKSA-N 1 0 259.349 2.354 10 0 CEAERO CCC(CC)N(CC[NH3+])C(=O)[C@H]1Cc2ccccc21 ZINC000090987191 180080612 /nfs/dbraw/zinc/08/06/12/180080612.db2.gz PAERLVDYTGRMOY-HNNXBMFYSA-N 1 0 260.381 2.302 10 0 CEAERO [NH3+]Cc1ccccc1CNC(=O)[C@@H]1Cc2ccccc21 ZINC000090985438 180080614 /nfs/dbraw/zinc/08/06/14/180080614.db2.gz IMSRUXYNRILPNF-MRXNPFEDSA-N 1 0 266.344 2.101 10 0 CEAERO O=C([C@@H]1Cc2ccccc21)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000090985462 180080683 /nfs/dbraw/zinc/08/06/83/180080683.db2.gz ZBEABTLICZDSTA-IXDOHACOSA-N 1 0 284.403 2.459 10 0 CEAERO C[C@@H]1CCC[C@@H](C[NH3+])N1C(=O)[C@@H]1Cc2ccccc21 ZINC000090985533 180080821 /nfs/dbraw/zinc/08/08/21/180080821.db2.gz PESLYHVRBVVJSB-OSAQELSMSA-N 1 0 258.365 2.055 10 0 CEAERO O[C@@H](C[NH2+]C[C@@H]1Cc2ccccc21)COC1CCCC1 ZINC000090992460 180081879 /nfs/dbraw/zinc/08/18/79/180081879.db2.gz ILBIVYFGBOQKJM-GJZGRUSLSA-N 1 0 275.392 2.236 10 0 CEAERO C[NH2+]Cc1cccn1CCOc1ccc(OC)cc1 ZINC000090995804 180082636 /nfs/dbraw/zinc/08/26/36/180082636.db2.gz HIRPEPLSRMALEA-UHFFFAOYSA-N 1 0 260.337 2.295 10 0 CEAERO C[NH2+]Cc1cn(CC(=O)NC(C)(C)C)c2ccccc12 ZINC000090995310 180082724 /nfs/dbraw/zinc/08/27/24/180082724.db2.gz CDPHWDRNHGQWCK-UHFFFAOYSA-N 1 0 273.380 2.275 10 0 CEAERO C[NH2+]Cc1cccn1C[C@H]1Cc2cc(F)ccc2O1 ZINC000090995837 180082771 /nfs/dbraw/zinc/08/27/71/180082771.db2.gz PNKXSCAUKUWGBD-CQSZACIVSA-N 1 0 260.312 2.350 10 0 CEAERO CCCn1ncnc1Cn1cccc1C[NH2+]CC(C)C ZINC000091001871 180083254 /nfs/dbraw/zinc/08/32/54/180083254.db2.gz AIGGUPZANZHGNZ-UHFFFAOYSA-N 1 0 275.400 2.284 10 0 CEAERO O=C(Cn1cccc1C[NH2+]C1CC1)NC1CCCCC1 ZINC000091001503 180083279 /nfs/dbraw/zinc/08/32/79/180083279.db2.gz GOEKUIPPQVDJIG-UHFFFAOYSA-N 1 0 275.396 2.189 10 0 CEAERO CCc1nn(CC)c(Cn2cccc2CC[NH3+])c1Cl ZINC000091004924 180083785 /nfs/dbraw/zinc/08/37/85/180083785.db2.gz QQPUVXIILOGABA-UHFFFAOYSA-N 1 0 280.803 2.470 10 0 CEAERO C[NH2+]Cc1ccn(CCCOCC(F)(F)F)c1 ZINC000091003055 180084046 /nfs/dbraw/zinc/08/40/46/180084046.db2.gz HCHNBXLTWRLNHI-UHFFFAOYSA-N 1 0 250.264 2.177 10 0 CEAERO Cc1noc(C)c1Cn1ccnc1C[NH2+]CC(C)C ZINC000091002699 180084099 /nfs/dbraw/zinc/08/40/99/180084099.db2.gz AMXXJJDVYNACIX-UHFFFAOYSA-N 1 0 262.357 2.282 10 0 CEAERO CCCn1ccc(C[NH2+]C2CCC(C(N)=O)CC2)c1 ZINC000091012072 180086380 /nfs/dbraw/zinc/08/63/80/180086380.db2.gz KBCPBIMQKQNYJU-UHFFFAOYSA-N 1 0 263.385 2.032 10 0 CEAERO CC[NH2+]Cc1cn(CC(=O)N[C@H](C)CC)c2ncccc12 ZINC000091020095 180087794 /nfs/dbraw/zinc/08/77/94/180087794.db2.gz SBTFCAQIIKXDPE-GFCCVEGCSA-N 1 0 288.395 2.061 10 0 CEAERO CCC[NH2+]Cc1cn(Cc2nccn2C)c2ncccc12 ZINC000091020391 180088008 /nfs/dbraw/zinc/08/80/08/180088008.db2.gz KXCMMKYWLZIHPR-UHFFFAOYSA-N 1 0 283.379 2.318 10 0 CEAERO CCC[C@H](C)NC(=O)Cn1cc(C[NH2+]C)c2cccnc21 ZINC000091019740 180088176 /nfs/dbraw/zinc/08/81/76/180088176.db2.gz UAVWXNUMSOLDRP-LBPRGKRZSA-N 1 0 288.395 2.061 10 0 CEAERO Cn1cc(Cn2cc(C[NH2+]C3CC3)c3cccnc32)cn1 ZINC000091020966 180088672 /nfs/dbraw/zinc/08/86/72/180088672.db2.gz XTFJGVFYGBVWNB-UHFFFAOYSA-N 1 0 281.363 2.070 10 0 CEAERO [NH3+]Cc1nc(-c2n[nH]c(-c3ccccc3)n2)cs1 ZINC000090934583 180067740 /nfs/dbraw/zinc/06/77/40/180067740.db2.gz GHVUIYLRWYXTCC-UHFFFAOYSA-N 1 0 257.322 2.054 10 0 CEAERO C[C@@H]([NH3+])c1nc(-c2nc(-c3ccoc3)no2)cs1 ZINC000090939085 180068327 /nfs/dbraw/zinc/06/83/27/180068327.db2.gz VJKSNRMAFWGRLA-ZCFIWIBFSA-N 1 0 262.294 2.473 10 0 CEAERO CCCn1c(C)nnc1-c1csc([C@H](C)[NH3+])n1 ZINC000090945097 180069724 /nfs/dbraw/zinc/06/97/24/180069724.db2.gz QWYRQADMUWHLPB-ZETCQYMHSA-N 1 0 251.359 2.140 10 0 CEAERO Cn1c(C[C@H]2CSCC[NH2+]2)nc2cccc(Cl)c21 ZINC000091128605 180100388 /nfs/dbraw/zinc/10/03/88/180100388.db2.gz WHHDNICNTLJZRF-VIFPVBQESA-N 1 0 281.812 2.474 10 0 CEAERO O=C(C[C@@H]1CSCC[NH2+]1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000091134559 180103984 /nfs/dbraw/zinc/10/39/84/180103984.db2.gz AHZBVHSLVFLGEJ-MGPQQGTHSA-N 1 0 282.453 2.120 10 0 CEAERO CN(Cc1cccnc1)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091359598 180140307 /nfs/dbraw/zinc/14/03/07/180140307.db2.gz LPQZQRJFFGIMGB-JYJNAYRXSA-N 1 0 287.407 2.351 10 0 CEAERO C[NH2+][C@H](CSC[C@@H](C)CO)c1ccc(OC)cc1 ZINC000091260827 180115939 /nfs/dbraw/zinc/11/59/39/180115939.db2.gz ZWOCZQMFLKOOHF-SMDDNHRTSA-N 1 0 269.410 2.317 10 0 CEAERO COc1ccc([C@@H]([NH2+]CCNC(=O)C2CC2)C2CC2)cc1 ZINC000091263866 180116558 /nfs/dbraw/zinc/11/65/58/180116558.db2.gz PSMGNBOZXVFBEC-INIZCTEOSA-N 1 0 288.391 2.262 10 0 CEAERO COc1ccc([C@H]([NH3+])CS[C@H](C)CCO)cc1 ZINC000091269324 180117218 /nfs/dbraw/zinc/11/72/18/180117218.db2.gz BPMHIBYDVIFUSQ-ZWNOBZJWSA-N 1 0 255.383 2.199 10 0 CEAERO CC(C)n1cncc1CN1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000091272967 180117937 /nfs/dbraw/zinc/11/79/37/180117937.db2.gz XEOITEHGVRCHND-LSDHHAIUSA-N 1 0 262.401 2.180 10 0 CEAERO CC(C)CN1CCC[C@@H]([NH3+])[C@@H]1c1cncn1C1CC1 ZINC000091275642 180118897 /nfs/dbraw/zinc/11/88/97/180118897.db2.gz QTSMSCFABCCUGF-UKRRQHHQSA-N 1 0 262.401 2.338 10 0 CEAERO [NH3+]C[C@@H]1CCCN(C2CC2)[C@@H]1c1cncn1C1CC1 ZINC000091275390 180118951 /nfs/dbraw/zinc/11/89/51/180118951.db2.gz DQEJMWQMGAOISC-NHYWBVRUSA-N 1 0 260.385 2.092 10 0 CEAERO CN(C)c1ccc2[nH+]c(-c3cncn3C3CC3)c(N)n2c1 ZINC000091275243 180119154 /nfs/dbraw/zinc/11/91/54/180119154.db2.gz HMPCSFCEVJSUPP-UHFFFAOYSA-N 1 0 282.351 2.181 10 0 CEAERO [NH3+]C[C@@H](Nc1ccccc1F)c1cncn1C1CC1 ZINC000091276657 180119568 /nfs/dbraw/zinc/11/95/68/180119568.db2.gz MIUKEGATYDVQIZ-CYBMUJFWSA-N 1 0 260.316 2.469 10 0 CEAERO CC[C@H]1CCCN([C@@H](C[NH3+])c2cncn2C2CC2)C1 ZINC000091276274 180119740 /nfs/dbraw/zinc/11/97/40/180119740.db2.gz CFBJBMUMHILKGL-JSGCOSHPSA-N 1 0 262.401 2.340 10 0 CEAERO COc1cccc(N(C)[C@H](C[NH3+])c2cncn2C2CC2)c1 ZINC000091276474 180120282 /nfs/dbraw/zinc/12/02/82/180120282.db2.gz GGRLXQMXQSRSMM-OAHLLOKOSA-N 1 0 286.379 2.363 10 0 CEAERO [NH3+]C[C@H](c1cncn1C1CC1)N1CCc2ccccc2C1 ZINC000091276191 180120534 /nfs/dbraw/zinc/12/05/34/180120534.db2.gz WXIWXZPWKPFMSQ-MRXNPFEDSA-N 1 0 282.391 2.276 10 0 CEAERO C[C@H]([NH3+])CCc1ccc(OCc2cncn2C)cc1 ZINC000091278224 180120761 /nfs/dbraw/zinc/12/07/61/180120761.db2.gz SIMCWAVEKKJIBD-LBPRGKRZSA-N 1 0 259.353 2.279 10 0 CEAERO CC[C@H](NC(=O)C[C@H]1CSCC[NH2+]1)c1ccccc1 ZINC000091290947 180122857 /nfs/dbraw/zinc/12/28/57/180122857.db2.gz GOVAGWJZIPKFCR-KBPBESRZSA-N 1 0 278.421 2.349 10 0 CEAERO FC(F)(F)C1CCN(CC[C@H]2CSCC[NH2+]2)CC1 ZINC000091292369 180123611 /nfs/dbraw/zinc/12/36/11/180123611.db2.gz BEEXVFOYYPIEMF-NSHDSACASA-N 1 0 282.375 2.356 10 0 CEAERO CC(C)n1c(C[C@@H]2C[NH2+]CCO2)nc2c1cccc2F ZINC000091293289 180123991 /nfs/dbraw/zinc/12/39/91/180123991.db2.gz KMKCCBQNSQJMMH-LLVKDONJSA-N 1 0 277.343 2.287 10 0 CEAERO CCn1c(C[C@H]2C[NH2+]CCO2)nc2cccc(Cl)c21 ZINC000091293308 180124167 /nfs/dbraw/zinc/12/41/67/180124167.db2.gz UJTQICRYTDUPJN-JTQLQIEISA-N 1 0 279.771 2.241 10 0 CEAERO Clc1cccc2nc(C[C@@H]3C[NH2+]CCO3)sc21 ZINC000091294601 180124887 /nfs/dbraw/zinc/12/48/87/180124887.db2.gz ZCRRWBQLLINRNU-MRVPVSSYSA-N 1 0 268.769 2.481 10 0 CEAERO CCOc1ccc(Cl)cc1NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000091300520 180128139 /nfs/dbraw/zinc/12/81/39/180128139.db2.gz SXHCSSGYYCPQKU-LLVKDONJSA-N 1 0 298.770 2.056 10 0 CEAERO CN(C)[C@H]1CCC[N@H+](C[C@@H]2CC(C)(C)CCC2=O)C1 ZINC000091428935 180152874 /nfs/dbraw/zinc/15/28/74/180152874.db2.gz SBKWPUFJXFIDNL-KBPBESRZSA-N 1 0 266.429 2.408 10 0 CEAERO CCNc1ccccc1C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000091428295 180152979 /nfs/dbraw/zinc/15/29/79/180152979.db2.gz JXIPFMNILNDOLU-CYBMUJFWSA-N 1 0 275.396 2.285 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccc(F)cc1)N(C)CC1CC(O)C1 ZINC000091461671 180161258 /nfs/dbraw/zinc/16/12/58/180161258.db2.gz XGMNXUDPUHVHGG-ZWHFUDEPSA-N 1 0 280.387 2.307 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccccc1F)N(C)CC1CC(O)C1 ZINC000091463794 180162559 /nfs/dbraw/zinc/16/25/59/180162559.db2.gz OGMOYCSUNIFANI-DCNYZXSGSA-N 1 0 280.387 2.307 10 0 CEAERO Cc1ccc([C@H]([C@H](C)N)[N@H+](C)CC2CC(O)C2)cc1 ZINC000091464200 180162902 /nfs/dbraw/zinc/16/29/02/180162902.db2.gz HMVHNTAXYSBWTJ-QTISTPMNSA-N 1 0 262.397 2.086 10 0 CEAERO CCC[NH2+]Cc1nnc(-c2ccncc2Cl)o1 ZINC000091465235 180163624 /nfs/dbraw/zinc/16/36/24/180163624.db2.gz LQUPYRVLYPYHLC-UHFFFAOYSA-N 1 0 252.705 2.285 10 0 CEAERO CCCO[C@H]1CCC[N@H+](CCC2OCCCO2)C1 ZINC000091465591 180163848 /nfs/dbraw/zinc/16/38/48/180163848.db2.gz ZTUJOBCKUBAQDT-ZDUSSCGKSA-N 1 0 257.374 2.031 10 0 CEAERO CC(C)[NH2+]CC[C@@](C)(O)c1ccc2c(c1)OCCO2 ZINC000091470098 180164764 /nfs/dbraw/zinc/16/47/64/180164764.db2.gz LPNAFSMZVVSDQS-OAHLLOKOSA-N 1 0 265.353 2.053 10 0 CEAERO CN(CC1CC([NH3+])C1)C(=O)CCCc1ccccc1 ZINC000091471195 180164936 /nfs/dbraw/zinc/16/49/36/180164936.db2.gz PBWASLCKSUJIER-UHFFFAOYSA-N 1 0 260.381 2.205 10 0 CEAERO Cc1cccc(CCC(=O)N(C)CC2CC([NH3+])C2)c1 ZINC000091473059 180165306 /nfs/dbraw/zinc/16/53/06/180165306.db2.gz LVSZWUIPVCVZHP-UHFFFAOYSA-N 1 0 260.381 2.123 10 0 CEAERO C[NH2+]CC1CC(Oc2nc(C(C)(C)C)ns2)C1 ZINC000091473499 180165586 /nfs/dbraw/zinc/16/55/86/180165586.db2.gz JLSXWOHVHGKHNW-UHFFFAOYSA-N 1 0 255.387 2.212 10 0 CEAERO Cc1cc2c(ncnc2N(C)CC2CC([NH3+])C2)s1 ZINC000091474747 180165757 /nfs/dbraw/zinc/16/57/57/180165757.db2.gz YROQCPHKSWOXKE-UHFFFAOYSA-N 1 0 262.382 2.173 10 0 CEAERO CCc1ccc([C@H](NC(=O)C2C[NH2+]C2)C(C)C)cc1 ZINC000091409637 180148372 /nfs/dbraw/zinc/14/83/72/180148372.db2.gz GKHJATSGPMRDET-OAHLLOKOSA-N 1 0 260.381 2.282 10 0 CEAERO COc1ccccc1-c1csc([C@H]2C[NH2+]CCO2)n1 ZINC000091501361 180174764 /nfs/dbraw/zinc/17/47/64/180174764.db2.gz BQUGHBDKFXVPER-CYBMUJFWSA-N 1 0 276.361 2.480 10 0 CEAERO CCC[NH2+]Cc1cncc(N(C)C[C@H](C)CC)n1 ZINC000091419209 180150668 /nfs/dbraw/zinc/15/06/68/180150668.db2.gz FWBJRYZKFVPTQW-GFCCVEGCSA-N 1 0 250.390 2.459 10 0 CEAERO OC1CC([NH2+]Cc2[nH]c3ccccc3c2Cl)C1 ZINC000091423823 180151169 /nfs/dbraw/zinc/15/11/69/180151169.db2.gz GHHJZJUGEVZEFZ-UHFFFAOYSA-N 1 0 250.729 2.434 10 0 CEAERO CCCc1nccn1-c1cncc(C[NH2+]C(C)C)n1 ZINC000091422538 180151376 /nfs/dbraw/zinc/15/13/76/180151376.db2.gz ZGPAVQMWXZBBBI-UHFFFAOYSA-N 1 0 259.357 2.113 10 0 CEAERO CCO[C@H]1C[C@H]([NH2+]C2CC(O)C2)C12CCCCC2 ZINC000091423772 180151387 /nfs/dbraw/zinc/15/13/87/180151387.db2.gz NRHHFJCZRUVWGW-HOAMVYINSA-N 1 0 253.386 2.227 10 0 CEAERO COc1ccc2c(c1)CCC[C@H]2[NH2+]CC1CC(O)C1 ZINC000091426260 180152250 /nfs/dbraw/zinc/15/22/50/180152250.db2.gz BANQMTLWLTTYOS-IJGSQOGDSA-N 1 0 261.365 2.433 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1=O)c1ccc(Cl)cc1 ZINC000105083295 186040850 /nfs/dbraw/zinc/04/08/50/186040850.db2.gz UATXRLKNALZVDA-NOZJJQNGSA-N 1 0 292.766 2.281 10 0 CEAERO COc1ccc(C)cc1[C@H]([NH3+])C(C)(C)N1CCOCC1 ZINC000091566393 180194009 /nfs/dbraw/zinc/19/40/09/180194009.db2.gz JFNLNMXIVUHOND-HNNXBMFYSA-N 1 0 278.396 2.114 10 0 CEAERO CC(C)([C@H]([NH3+])Cc1ccc2c(c1)CCC2)N1CCOCC1 ZINC000091566070 180194031 /nfs/dbraw/zinc/19/40/31/180194031.db2.gz VHZOCFPMOJNKCQ-QGZVFWFLSA-N 1 0 288.435 2.156 10 0 CEAERO C[NH2+][C@@H](Cc1cccc(C)c1)C(C)(C)N1CCOCC1 ZINC000091566598 180194142 /nfs/dbraw/zinc/19/41/42/180194142.db2.gz QSHRIGSNCADHHS-INIZCTEOSA-N 1 0 276.424 2.236 10 0 CEAERO CC[C@@](C)(C(=O)Cc1nn(C)c2ccccc12)[NH+](C)C ZINC000091568674 180194708 /nfs/dbraw/zinc/19/47/08/180194708.db2.gz LYLWQFWTUUSIOC-INIZCTEOSA-N 1 0 273.380 2.415 10 0 CEAERO Cc1cc(C[C@@H](O)C(C)(C)[NH+]2CCCCCC2)n(C)n1 ZINC000091567581 180194713 /nfs/dbraw/zinc/19/47/13/180194713.db2.gz YWFQRTIQRJVGDA-OAHLLOKOSA-N 1 0 279.428 2.287 10 0 CEAERO C[NH2+][C@@H](Cc1cnccc1N)C(C)(C)N1CCCCCC1 ZINC000091568309 180195132 /nfs/dbraw/zinc/19/51/32/180195132.db2.gz QTBLCNMDSMQBAQ-INIZCTEOSA-N 1 0 290.455 2.449 10 0 CEAERO CC[C@@](C)([C@H](O)Cc1nn(C)c2ccccc12)[NH+](C)C ZINC000091569284 180195428 /nfs/dbraw/zinc/19/54/28/180195428.db2.gz OHLQTUUZGLJERJ-CVEARBPZSA-N 1 0 275.396 2.207 10 0 CEAERO CC[NH2+][C@@H](Cc1ncnn1CC(C)C)[C@](C)(CC)N(C)C ZINC000091570974 180195604 /nfs/dbraw/zinc/19/56/04/180195604.db2.gz ZTTPRWIYUFAGNK-HOCLYGCPSA-N 1 0 295.475 2.185 10 0 CEAERO CC[C@@](C)([C@@H](O)Cc1ccccc1OC)[NH+](C)C ZINC000091569370 180195736 /nfs/dbraw/zinc/19/57/36/180195736.db2.gz ADOSEULHOGSZSL-GJZGRUSLSA-N 1 0 251.370 2.329 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@@H](N)c1cnccc1N ZINC000091573711 180196039 /nfs/dbraw/zinc/19/60/39/180196039.db2.gz FFUHCZBPPQPTKX-UONOGXRCSA-N 1 0 250.390 2.174 10 0 CEAERO CCCn1ncnc1C[C@@H](O)[C@@](C)(CC)[NH+](CC)CC ZINC000091572865 180196358 /nfs/dbraw/zinc/19/63/58/180196358.db2.gz JSSDRJDWFQCGFX-UKRRQHHQSA-N 1 0 282.432 2.102 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@H](O)Cc1ncnn1C(C)C ZINC000091572889 180196503 /nfs/dbraw/zinc/19/65/03/180196503.db2.gz ALPMJFLRYRHQDC-UKRRQHHQSA-N 1 0 282.432 2.273 10 0 CEAERO CC[NH2+][C@@H](Cc1cc(CC)nn1C)[C@@](C)(CC)N(C)C ZINC000091571372 180196684 /nfs/dbraw/zinc/19/66/84/180196684.db2.gz OFTOORVXQSAZHK-JKSUJKDBSA-N 1 0 280.460 2.233 10 0 CEAERO CCn1cc([C@@H](N)[C@](C)(CC)[NH+](CC)CC)cn1 ZINC000091574012 180197278 /nfs/dbraw/zinc/19/72/78/180197278.db2.gz VRONZBIXZIEZQN-KGLIPLIRSA-N 1 0 252.406 2.413 10 0 CEAERO CCCc1nn(C)c(NC[C@H](C)C[NH+]2CCCC2)c1N ZINC000091583237 180199164 /nfs/dbraw/zinc/19/91/64/180199164.db2.gz NXLIKJRPCVNELE-LBPRGKRZSA-N 1 0 279.432 2.099 10 0 CEAERO CCCc1nn(C)c(NC[C@H]2CC[N@@H+](C(C)C)C2)c1N ZINC000091584254 180199451 /nfs/dbraw/zinc/19/94/51/180199451.db2.gz IODCLUQIPGYZOH-GFCCVEGCSA-N 1 0 279.432 2.097 10 0 CEAERO CC[C@](C)([C@H](N)Cc1ncnn1CC(C)C)[NH+]1CCCC1 ZINC000091604449 180202948 /nfs/dbraw/zinc/20/29/48/180202948.db2.gz UQPORGAQIQSKES-GDBMZVCRSA-N 1 0 293.459 2.068 10 0 CEAERO CC[C@](C)(C(=O)Cc1cccnc1N)[NH+]1CCCCC1 ZINC000091608182 180204430 /nfs/dbraw/zinc/20/44/30/180204430.db2.gz PJFXVHGAYNFOMX-MRXNPFEDSA-N 1 0 275.396 2.430 10 0 CEAERO CC[C@@](C)([C@@H]([NH3+])Cc1cc(F)ccc1F)N1CCOCC1 ZINC000091611915 180206366 /nfs/dbraw/zinc/20/63/66/180206366.db2.gz OJRORCNOYJXFGD-HOTGVXAUSA-N 1 0 298.377 2.336 10 0 CEAERO CC[C@](C)([C@H]([NH3+])c1ccccc1C)N1CCOCC1 ZINC000091611582 180206536 /nfs/dbraw/zinc/20/65/36/180206536.db2.gz GLCCFDJARMQWNG-HZPDHXFCSA-N 1 0 262.397 2.496 10 0 CEAERO CC[C@@](C)([C@@H](O)c1ccc(F)cc1)[NH+]1CCOCC1 ZINC000091611259 180206665 /nfs/dbraw/zinc/20/66/65/180206665.db2.gz GAHIACRWXUVCSV-GJZGRUSLSA-N 1 0 267.344 2.360 10 0 CEAERO CC[C@@](C)([C@H]([NH3+])Cc1cccc(F)c1)N1CCOCC1 ZINC000091611861 180206822 /nfs/dbraw/zinc/20/68/22/180206822.db2.gz JZPRHLAGVIXLPU-CVEARBPZSA-N 1 0 280.387 2.196 10 0 CEAERO CC[C@](C)([C@@H](O)Cc1ccc(C)cc1)[NH+]1CCOCC1 ZINC000091611328 180206825 /nfs/dbraw/zinc/20/68/25/180206825.db2.gz UFJYYANPWVCQAQ-DLBZAZTESA-N 1 0 277.408 2.399 10 0 CEAERO CC[NH2+][C@@H](CC1CC1)[C@](C)(CC)N1CCOCC1 ZINC000091612903 180207407 /nfs/dbraw/zinc/20/74/07/180207407.db2.gz QLMGEYMYCLQNBY-GJZGRUSLSA-N 1 0 254.418 2.266 10 0 CEAERO CCC(CC)([C@@H]([NH2+]C)c1c(C)ccnc1N)N(C)C ZINC000091614303 180207774 /nfs/dbraw/zinc/20/77/74/180207774.db2.gz HKXJPIVFTIIGKV-ZDUSSCGKSA-N 1 0 264.417 2.353 10 0 CEAERO CCn1ncnc1C[C@@H](N)C(CC)(CC)[NH+](CC)CC ZINC000091616101 180207780 /nfs/dbraw/zinc/20/77/80/180207780.db2.gz SMPILYPVSSKTEK-CYBMUJFWSA-N 1 0 281.448 2.068 10 0 CEAERO CCC(CC)([C@@H](Cc1ncnn1C(C)C)[NH2+]C)N(C)C ZINC000091614596 180208263 /nfs/dbraw/zinc/20/82/63/180208263.db2.gz NPEFBVBISKNWKA-CYBMUJFWSA-N 1 0 281.448 2.110 10 0 CEAERO CC(C)(C)c1ccc2oc(C[C@](C)(O)C[NH3+])nc2c1 ZINC000091505976 180176078 /nfs/dbraw/zinc/17/60/78/180176078.db2.gz NJDNYXWOHSJWHP-HNNXBMFYSA-N 1 0 262.353 2.378 10 0 CEAERO Cc1cc(F)cc(N[C@]2(CO)CC[N@@H+](C(C)C)C2)c1 ZINC000091518412 180177391 /nfs/dbraw/zinc/17/73/91/180177391.db2.gz PARZJTNSJZUHFY-OAHLLOKOSA-N 1 0 266.360 2.391 10 0 CEAERO CC(C)(C)n1c2ccccc2nc1C[C@](C)(O)C[NH3+] ZINC000091520774 180177985 /nfs/dbraw/zinc/17/79/85/180177985.db2.gz DJRGBOFHWUMPEB-HNNXBMFYSA-N 1 0 261.369 2.044 10 0 CEAERO COCC[NH2+]CC[C@@](C)(O)c1cc(C)cc(C)c1 ZINC000091520636 180178199 /nfs/dbraw/zinc/17/81/99/180178199.db2.gz HXXOMYDXKAMTPY-OAHLLOKOSA-N 1 0 251.370 2.137 10 0 CEAERO CCC1CCC(c2noc(C[C@@](C)(O)C[NH3+])n2)CC1 ZINC000091523290 180178425 /nfs/dbraw/zinc/17/84/25/180178425.db2.gz IRXBFMMMDWYBFB-QIMFLAQGSA-N 1 0 267.373 2.006 10 0 CEAERO CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1[NH2+]CC1CC(O)C1 ZINC000091525924 180178589 /nfs/dbraw/zinc/17/85/89/180178589.db2.gz PLBWYGSNMROEER-FKZOYECMSA-N 1 0 298.427 2.040 10 0 CEAERO OC1CC(C[NH2+][C@@H]2CCCC[C@H]2C(F)(F)F)C1 ZINC000091525445 180178594 /nfs/dbraw/zinc/17/85/94/180178594.db2.gz NDXXPFDFPUVKSI-JPPWEJMLSA-N 1 0 251.292 2.468 10 0 CEAERO CC(C)CO[C@H]1C[C@H]([NH2+]CC2CC(O)C2)C1(C)C ZINC000091525408 180178908 /nfs/dbraw/zinc/17/89/08/180178908.db2.gz NXNVJMQZARGJEQ-HOAMVYINSA-N 1 0 255.402 2.187 10 0 CEAERO C[NH+](C)C(C)(C)[C@@H](O)Cc1ccnc2ccccc12 ZINC000091528216 180179684 /nfs/dbraw/zinc/17/96/84/180179684.db2.gz CDRFYIDBVYWHGY-HNNXBMFYSA-N 1 0 258.365 2.478 10 0 CEAERO CC[NH2+][C@H](Cc1cnccc1N)C(C)(C)N1CCCC1 ZINC000091535720 180182176 /nfs/dbraw/zinc/18/21/76/180182176.db2.gz AQLQOYVZLSRROI-OAHLLOKOSA-N 1 0 276.428 2.059 10 0 CEAERO CC[NH2+][C@@H](c1c(C)ccnc1N)C(C)(C)N1CCCC1 ZINC000091535202 180182250 /nfs/dbraw/zinc/18/22/50/180182250.db2.gz HFRAZMQWJRGGSS-AWEZNQCLSA-N 1 0 276.428 2.497 10 0 CEAERO CCC(=O)Nc1cccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)c1 ZINC000091539594 180183046 /nfs/dbraw/zinc/18/30/46/180183046.db2.gz WZHHWGNNKCBZNW-QWRGUYRKSA-N 1 0 275.352 2.101 10 0 CEAERO [NH3+][C@H]1CC[C@@H](C(=O)Nc2ccc3ncccc3c2)C1 ZINC000091544748 180185697 /nfs/dbraw/zinc/18/56/97/180185697.db2.gz OMUDAVZKUWTVEK-NEPJUHHUSA-N 1 0 255.321 2.301 10 0 CEAERO COc1ccc([C@H](C)NC(=O)[C@H]2CC[C@H]([NH3+])C2)cc1F ZINC000091545390 180186607 /nfs/dbraw/zinc/18/66/07/180186607.db2.gz SJJVVIPUXBMKHH-DLOVCJGASA-N 1 0 280.343 2.139 10 0 CEAERO CCN(Cc1ccc(OC)c(F)c1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091546304 180186872 /nfs/dbraw/zinc/18/68/72/180186872.db2.gz HHUHWFOZIYSLBP-CHWSQXEVSA-N 1 0 294.370 2.310 10 0 CEAERO CCCCCC[C@@H](C)[NH2+][C@H]1CC(=O)N(CCC)C1=O ZINC000105039894 186038714 /nfs/dbraw/zinc/03/87/14/186038714.db2.gz JWBBEWKQZBWBAS-OLZOCXBDSA-N 1 0 268.401 2.472 10 0 CEAERO CCC(CC)(C(=O)Cc1cc(C)nn1C)[NH+]1CCCC1 ZINC000091634177 180210324 /nfs/dbraw/zinc/21/03/24/180210324.db2.gz VGPUQCPAHFBFRJ-UHFFFAOYSA-N 1 0 277.412 2.495 10 0 CEAERO CCC(CC)([C@@H](N)c1cnccc1N)[NH+]1CCCC1 ZINC000091634811 180210891 /nfs/dbraw/zinc/21/08/91/180210891.db2.gz AUTPKBWPGXOCEV-AWEZNQCLSA-N 1 0 262.401 2.318 10 0 CEAERO CC[NH2+][C@H](Cc1cc(CC)nn1C)C1(N(C)C)CCCC1 ZINC000091638092 180212030 /nfs/dbraw/zinc/21/20/30/180212030.db2.gz WUOYNEMIXWGDRJ-MRXNPFEDSA-N 1 0 292.471 2.378 10 0 CEAERO CC[NH2+][C@@H](Cc1cc(CC)nn1C)C1(N(C)C)CCCC1 ZINC000091638091 180212501 /nfs/dbraw/zinc/21/25/01/180212501.db2.gz WUOYNEMIXWGDRJ-INIZCTEOSA-N 1 0 292.471 2.378 10 0 CEAERO C[NH2+][C@@H](Cc1c(Cl)c(C)nn1C)C1(N(C)C)CCCC1 ZINC000091637569 180212635 /nfs/dbraw/zinc/21/26/35/180212635.db2.gz CWAULXVBWPCQNN-ZDUSSCGKSA-N 1 0 298.862 2.387 10 0 CEAERO CC[NH+](CC)C1([C@H](O)Cc2cc(C)nn2C)CCCC1 ZINC000091638866 180212666 /nfs/dbraw/zinc/21/26/66/180212666.db2.gz FIHNFTQGSIFAPO-OAHLLOKOSA-N 1 0 279.428 2.287 10 0 CEAERO O[C@H](Cc1ccccc1F)C1([NH+]2CCOCC2)CCCC1 ZINC000091642799 180213799 /nfs/dbraw/zinc/21/37/99/180213799.db2.gz NQKYKCAGEGFWAF-MRXNPFEDSA-N 1 0 293.382 2.374 10 0 CEAERO CC[C@@H](C)C[C@H](O)C1([NH+]2CCOCC2)CCCC1 ZINC000091642609 180213922 /nfs/dbraw/zinc/21/39/22/180213922.db2.gz VHDYYFCEBUUFMH-KGLIPLIRSA-N 1 0 255.402 2.429 10 0 CEAERO Cc1ccnc(N)c1C(=O)C1([NH+](C)C)CCCCC1 ZINC000091646430 180215229 /nfs/dbraw/zinc/21/52/29/180215229.db2.gz HUDJNDGNDLCXGC-UHFFFAOYSA-N 1 0 261.369 2.419 10 0 CEAERO Cc1ccnc(N)c1[C@H](O)C1([NH+](C)C)CCCCC1 ZINC000091646626 180215409 /nfs/dbraw/zinc/21/54/09/180215409.db2.gz HJOSEPHUDZYSLE-ZDUSSCGKSA-N 1 0 263.385 2.270 10 0 CEAERO CC[NH2+][C@H](Cc1cccnc1N)C1(N(C)C)CCCCC1 ZINC000091647809 180215558 /nfs/dbraw/zinc/21/55/58/180215558.db2.gz ICMSYNYCQWLAGX-OAHLLOKOSA-N 1 0 290.455 2.449 10 0 CEAERO Cc1cnc(N)c(C(=O)C2([NH+](C)C)CCCCC2)c1 ZINC000091646484 180215630 /nfs/dbraw/zinc/21/56/30/180215630.db2.gz VLKCJBUNIQXZRN-UHFFFAOYSA-N 1 0 261.369 2.419 10 0 CEAERO CCn1cc([C@H](O)C2([NH+](C)C)CCCCC2)cn1 ZINC000091646668 180215654 /nfs/dbraw/zinc/21/56/54/180215654.db2.gz CTLLNHSKNKIKBF-ZDUSSCGKSA-N 1 0 251.374 2.201 10 0 CEAERO C[C@H]1CCC[C@@](C(=O)Cc2cccnc2N)([NH+](C)C)C1 ZINC000091650481 180216546 /nfs/dbraw/zinc/21/65/46/180216546.db2.gz ZKEAFSRRUKHHLJ-BLLLJJGKSA-N 1 0 275.396 2.286 10 0 CEAERO C[NH2+][C@H](Cc1ccnc(N)c1)[C@@]1(N(C)C)CCC[C@@H](C)C1 ZINC000091652576 180216846 /nfs/dbraw/zinc/21/68/46/180216846.db2.gz UKOXKACAUGUAMP-FRFSOERESA-N 1 0 290.455 2.305 10 0 CEAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1nc2ccccc2s1 ZINC000091667198 180223561 /nfs/dbraw/zinc/22/35/61/180223561.db2.gz MCJIVRPZALCXOO-NWDGAFQWSA-N 1 0 291.420 2.278 10 0 CEAERO CC[NH+](CC)CC[C@H](O)Cc1cccc(OC)c1 ZINC000091714450 180231480 /nfs/dbraw/zinc/23/14/80/180231480.db2.gz DTJMEMSJMTUGEY-AWEZNQCLSA-N 1 0 251.370 2.331 10 0 CEAERO CC[NH2+][C@H](CCCc1ccccc1)[C@H]1CN(C)CCO1 ZINC000091718885 180233245 /nfs/dbraw/zinc/23/32/45/180233245.db2.gz STHKKDUQCWEAQN-IAGOWNOFSA-N 1 0 276.424 2.318 10 0 CEAERO CC[NH2+][C@H](c1cnc2ccccc2c1)[C@@H]1CN(C)CCO1 ZINC000091718667 180233340 /nfs/dbraw/zinc/23/33/40/180233340.db2.gz IUVUAQWRCYMGGX-DLBZAZTESA-N 1 0 285.391 2.216 10 0 CEAERO C[NH2+][C@H](Cc1ccn(C2CCCCC2)n1)CN(C)C ZINC000091719667 180234433 /nfs/dbraw/zinc/23/44/33/180234433.db2.gz VAPZTSVBGLRKEY-CQSZACIVSA-N 1 0 264.417 2.080 10 0 CEAERO C[NH2+][C@H](c1ccc(F)cc1F)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091720940 180235515 /nfs/dbraw/zinc/23/55/15/180235515.db2.gz AUIQFEHXSVSXGR-KCPJHIHWSA-N 1 0 282.334 2.089 10 0 CEAERO [NH3+][C@H](c1ccc(Cl)cc1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091720806 180236417 /nfs/dbraw/zinc/23/64/17/180236417.db2.gz ZNZWZHFEVDJQEP-HZSPNIEDSA-N 1 0 266.772 2.203 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1ccc(F)cc1Cl ZINC000624235735 350239305 /nfs/dbraw/zinc/23/93/05/350239305.db2.gz ONCWQCBIQHJDAC-CKLFPEKLSA-N 1 0 273.735 2.280 10 0 CEAERO C[NH2+][C@H](c1ccc(C)cc1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721191 180237509 /nfs/dbraw/zinc/23/75/09/180237509.db2.gz HMSNNWDSCFTADV-BZUAXINKSA-N 1 0 260.381 2.119 10 0 CEAERO C[C@H]1C[C@H]([NH2+][C@H]2CCOC[C@@H]2O)c2ccsc2S1 ZINC000624236927 350240582 /nfs/dbraw/zinc/24/05/82/350240582.db2.gz MUTBEKIUWVWQTH-VGDYDELISA-N 1 0 285.434 2.413 10 0 CEAERO CC[NH2+][C@H](Cc1cccs1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721767 180238600 /nfs/dbraw/zinc/23/86/00/180238600.db2.gz UYAOKSKROOUXIB-BPLDGKMQSA-N 1 0 280.437 2.132 10 0 CEAERO C[NH2+][C@H](c1cc(F)ccc1C)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721359 180238746 /nfs/dbraw/zinc/23/87/46/180238746.db2.gz HSKDOPKYWQTBRB-FVQBIDKESA-N 1 0 278.371 2.258 10 0 CEAERO C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CCSC(C)(C)C2)C1 ZINC000091766022 180248428 /nfs/dbraw/zinc/24/84/28/180248428.db2.gz XMNRGAQDMKQPAW-NEPJUHHUSA-N 1 0 285.457 2.006 10 0 CEAERO CC[NH2+][C@H](Cc1ccsc1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721793 180240497 /nfs/dbraw/zinc/24/04/97/180240497.db2.gz ITIOPNRZRALDPU-KFWWJZLASA-N 1 0 280.437 2.132 10 0 CEAERO Cc1nc(CN(C)C)nc(C)c1CCC[NH2+]C(C)(C)C ZINC000091723660 180241476 /nfs/dbraw/zinc/24/14/76/180241476.db2.gz AJGLLISIWDIRRP-UHFFFAOYSA-N 1 0 278.444 2.476 10 0 CEAERO Cc1ncc(C[NH2+]CCC2CC[NH+](C)CC2)s1 ZINC000105454523 186058077 /nfs/dbraw/zinc/05/80/77/186058077.db2.gz YEZRYAMJYGYGRI-UHFFFAOYSA-N 1 0 253.415 2.273 10 0 CEAERO CN1CCO[C@@H](C[NH2+]Cc2ccc(Cl)cc2Cl)C1 ZINC000105472000 186058879 /nfs/dbraw/zinc/05/88/79/186058879.db2.gz CDYHPJMKHCDFHT-LBPRGKRZSA-N 1 0 289.206 2.414 10 0 CEAERO CCOc1cc(C[NH2+]CCc2nc(C)no2)ccc1OC ZINC000105470399 186059549 /nfs/dbraw/zinc/05/95/49/186059549.db2.gz HFLOIKVOOAATLC-UHFFFAOYSA-N 1 0 291.351 2.118 10 0 CEAERO CCC[NH2+][C@@H](CC)[C@H](C)c1nc(CN(C)C)no1 ZINC000091747689 180245285 /nfs/dbraw/zinc/24/52/85/180245285.db2.gz USZZYDKWSYJDKY-QWRGUYRKSA-N 1 0 254.378 2.013 10 0 CEAERO C[N@H+](Cc1cncn1C1CC1)C1CCC2(CC1)OCCO2 ZINC000091853679 180273689 /nfs/dbraw/zinc/27/36/89/180273689.db2.gz RTUUJCIVCPAQLD-UHFFFAOYSA-N 1 0 291.395 2.336 10 0 CEAERO C[N@H+](CC[C@@H]1CCCO1)C1CCC2(CC1)OCCO2 ZINC000091853622 180273915 /nfs/dbraw/zinc/27/39/15/180273915.db2.gz PNHJHDRZJDGHKS-AWEZNQCLSA-N 1 0 269.385 2.173 10 0 CEAERO CCc1cc(C(=O)N(C)C2CCC([NH2+]C)CC2)n(CC)n1 ZINC000091854411 180274771 /nfs/dbraw/zinc/27/47/71/180274771.db2.gz VFPJWAJQJODBFI-UHFFFAOYSA-N 1 0 292.427 2.068 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)c2ccc(C)o2)CC1 ZINC000091854559 180274842 /nfs/dbraw/zinc/27/48/42/180274842.db2.gz HEGXUYRAOJQAPC-UHFFFAOYSA-N 1 0 250.342 2.191 10 0 CEAERO CCC[NH2+][C@H](C)c1cccn1CCCS(=O)(=O)CC ZINC000091803218 180259827 /nfs/dbraw/zinc/25/98/27/180259827.db2.gz LCNQDLOCUQASRG-CYBMUJFWSA-N 1 0 286.441 2.374 10 0 CEAERO C[C@@H]([NH3+])c1ccn(CC(=O)Nc2ccccc2F)c1 ZINC000091803554 180259869 /nfs/dbraw/zinc/25/98/69/180259869.db2.gz ABUXPAHTIRLJPH-SNVBAGLBSA-N 1 0 261.300 2.286 10 0 CEAERO CCC[NH2+][C@@H](C)c1cccn1CC(=O)NC(C)C ZINC000091802467 180260083 /nfs/dbraw/zinc/26/00/83/180260083.db2.gz BXGYMBZGBSKXOO-LBPRGKRZSA-N 1 0 251.374 2.073 10 0 CEAERO CCC[NH2+][C@@H](CC)c1ccn(C[C@H](C)C(N)=O)c1 ZINC000091817634 180263282 /nfs/dbraw/zinc/26/32/82/180263282.db2.gz ZEDZBKVZDIKZMU-AAEUAGOBSA-N 1 0 251.374 2.060 10 0 CEAERO CCC[C@@H]([NH2+]CC)c1ccn(CC(=O)NCC)c1 ZINC000091822986 180263945 /nfs/dbraw/zinc/26/39/45/180263945.db2.gz MFMMNYMNIOCKBT-CYBMUJFWSA-N 1 0 251.374 2.075 10 0 CEAERO CC[NH2+][C@H](c1ccn(CC(=O)NC(C)C)c1)C(C)C ZINC000091827528 180264970 /nfs/dbraw/zinc/26/49/70/180264970.db2.gz DJQOEMYUSCXRFR-HNNXBMFYSA-N 1 0 265.401 2.319 10 0 CEAERO CC(C)c1nsc(N(C)C2CCC([NH3+])CC2)n1 ZINC000091849475 180271276 /nfs/dbraw/zinc/27/12/76/180271276.db2.gz MYOHBXJPESJOIS-UHFFFAOYSA-N 1 0 254.403 2.368 10 0 CEAERO CCN(C(=O)[C@H]1CC=CCC1)C1CCC([NH3+])CC1 ZINC000091850404 180271767 /nfs/dbraw/zinc/27/17/67/180271767.db2.gz VIFXDVVIMGRSTL-HSBZDZAISA-N 1 0 250.386 2.461 10 0 CEAERO CCN(C(=O)c1ccc2c[nH]nc2c1)C1CCC([NH3+])CC1 ZINC000091850205 180272258 /nfs/dbraw/zinc/27/22/58/180272258.db2.gz ASSUYIXUGIRZBO-UHFFFAOYSA-N 1 0 286.379 2.295 10 0 CEAERO CCN(C(=O)c1cccc(OC)c1)C1CCC([NH3+])CC1 ZINC000091850315 180272276 /nfs/dbraw/zinc/27/22/76/180272276.db2.gz SXYAGINKWGKJGL-UHFFFAOYSA-N 1 0 276.380 2.427 10 0 CEAERO [NH3+][C@@H](Cc1c[nH]cn1)c1nc2ccc(F)cc2s1 ZINC000091939600 180289106 /nfs/dbraw/zinc/28/91/06/180289106.db2.gz CMRWMGWKHBVUER-VIFPVBQESA-N 1 0 262.313 2.401 10 0 CEAERO COCC[NH2+]Cc1ncoc1-c1cc(F)cc(F)c1 ZINC000091959540 180292244 /nfs/dbraw/zinc/29/22/44/180292244.db2.gz PPCSROYBVLMFKZ-UHFFFAOYSA-N 1 0 268.263 2.356 10 0 CEAERO CN(CC[C@H]1CCCC[NH2+]1)C(=O)N1CCCCC1 ZINC000091969169 180294369 /nfs/dbraw/zinc/29/43/69/180294369.db2.gz HQVWLAFSPPWDHP-CYBMUJFWSA-N 1 0 253.390 2.056 10 0 CEAERO CCOC(=O)c1ccc(NC2CCC([NH2+]C)CC2)nc1 ZINC000091873520 180277887 /nfs/dbraw/zinc/27/78/87/180277887.db2.gz KPSNUGPKWCXNJM-UHFFFAOYSA-N 1 0 277.368 2.201 10 0 CEAERO C[NH2+]C1CCC(NC(=O)c2cccc3cc[nH]c32)CC1 ZINC000091871792 180277993 /nfs/dbraw/zinc/27/79/93/180277993.db2.gz MDFXVTFUAONJHD-UHFFFAOYSA-N 1 0 271.364 2.428 10 0 CEAERO C[NH2+]C1CCC(N(C)c2ncncc2Br)CC1 ZINC000091873591 180278906 /nfs/dbraw/zinc/27/89/06/180278906.db2.gz XKNXVODMMKOZNS-UHFFFAOYSA-N 1 0 299.216 2.206 10 0 CEAERO CCOc1cc([C@@H](O)[C@@H](C)C[NH3+])ccc1OC(F)F ZINC000091909052 180284568 /nfs/dbraw/zinc/28/45/68/180284568.db2.gz QLSOAOUNLQUNIR-UFBFGSQYSA-N 1 0 275.295 2.315 10 0 CEAERO CC[C@@H](C[NH3+])[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000091909997 180284661 /nfs/dbraw/zinc/28/46/61/180284661.db2.gz HBSIUXZTZCMMSM-QPUJVOFHSA-N 1 0 271.744 2.130 10 0 CEAERO [NH3+]C[C@]1([C@@H](O)c2cc(Cl)cc(Cl)c2)CCOC1 ZINC000091913081 180285077 /nfs/dbraw/zinc/28/50/77/180285077.db2.gz ILTOVXCQOYMTRL-NWDGAFQWSA-N 1 0 276.163 2.392 10 0 CEAERO [NH3+]C[C@@]1([C@H](O)C2CCCC2)COc2ccccc2C1 ZINC000091913245 180285192 /nfs/dbraw/zinc/28/51/92/180285192.db2.gz VUYXQYVGRSBZGE-HZPDHXFCSA-N 1 0 261.365 2.118 10 0 CEAERO [NH3+]CC1([C@H](O)c2ccccc2C(F)(F)F)CCOCC1 ZINC000091910874 180285201 /nfs/dbraw/zinc/28/52/01/180285201.db2.gz ULLPOZKYTPXMKJ-GFCCVEGCSA-N 1 0 289.297 2.494 10 0 CEAERO [NH3+]C[C@@]1([C@@H](O)C2CCCC2)CCOc2ccccc21 ZINC000091913236 180285234 /nfs/dbraw/zinc/28/52/34/180285234.db2.gz HTIGCKWJGLPFBK-HOTGVXAUSA-N 1 0 261.365 2.217 10 0 CEAERO COc1cc(OC)cc([C@H](O)C2(C[NH3+])CCCC2)c1 ZINC000091911703 180285253 /nfs/dbraw/zinc/28/52/53/180285253.db2.gz JHOKNGMKXBUFMN-AWEZNQCLSA-N 1 0 265.353 2.256 10 0 CEAERO [NH3+]C[C@]1([C@@H](O)c2ccccn2)CCc2ccccc2C1 ZINC000091910166 180285414 /nfs/dbraw/zinc/28/54/14/180285414.db2.gz IFWJHQJMRFAVDK-IRXDYDNUSA-N 1 0 268.360 2.249 10 0 CEAERO [NH3+]CC1([C@]2(O)CCC[C@H](C(F)(F)F)C2)CCOCC1 ZINC000091921661 180286797 /nfs/dbraw/zinc/28/67/97/180286797.db2.gz OLOVBYUIJJXKPG-JQWIXIFHSA-N 1 0 281.318 2.226 10 0 CEAERO CC[C@H]1C[C@@](O)(C2(C[NH3+])CCC(C)CC2)CCO1 ZINC000091918640 180286893 /nfs/dbraw/zinc/28/68/93/180286893.db2.gz VMDAIICZIONACC-OOJKYFRXSA-N 1 0 255.402 2.462 10 0 CEAERO CC[C@H]([NH2+]C)c1ccccc1OC[C@@H]1CN(CC)CCO1 ZINC000092051105 180312141 /nfs/dbraw/zinc/31/21/41/180312141.db2.gz RSYKFIJXLQYAJP-HOCLYGCPSA-N 1 0 292.423 2.457 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@@H](C)c2ccsc2)C1 ZINC000092052690 180313242 /nfs/dbraw/zinc/31/32/42/180313242.db2.gz RHXBAVLDCGSGPK-AAEUAGOBSA-N 1 0 254.399 2.119 10 0 CEAERO C[C@H]1CCC[C@@](C[NH3+])(NC(=O)N2CCCCC2)C1 ZINC000091969820 180295179 /nfs/dbraw/zinc/29/51/79/180295179.db2.gz MLKUQRRTKVMRPQ-GXTWGEPZSA-N 1 0 253.390 2.090 10 0 CEAERO C[C@@H]1CCCN(C(=O)N2CCC[C@H]2[C@@H]2CCC[NH2+]C2)C1 ZINC000091973194 180296574 /nfs/dbraw/zinc/29/65/74/180296574.db2.gz XGANPNUHBZGVNH-KFWWJZLASA-N 1 0 279.428 2.302 10 0 CEAERO CCCN(C(=O)N1CCC[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000091973082 180296705 /nfs/dbraw/zinc/29/67/05/180296705.db2.gz UWAXIBIPIGHGSN-KGLIPLIRSA-N 1 0 267.417 2.302 10 0 CEAERO C[C@@H]1CCCN(C(=O)N[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000091991058 180299954 /nfs/dbraw/zinc/29/99/54/180299954.db2.gz QOKYCNOSXSEJCV-FRRDWIJNSA-N 1 0 253.390 2.088 10 0 CEAERO C[NH2+]Cc1nc(C)ccc1OCc1cccc(OC)n1 ZINC000091994407 180301472 /nfs/dbraw/zinc/30/14/72/180301472.db2.gz IUOFCSDZQXXCPD-UHFFFAOYSA-N 1 0 273.336 2.092 10 0 CEAERO CO[C@H]1CCC[C@H](Oc2ccc(C)nc2CC[NH3+])C1 ZINC000091999656 180303793 /nfs/dbraw/zinc/30/37/93/180303793.db2.gz UKGZYIIWMQKSQY-STQMWFEESA-N 1 0 264.369 2.228 10 0 CEAERO CC(=O)c1sc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)nc1C ZINC000092004577 180305479 /nfs/dbraw/zinc/30/54/79/180305479.db2.gz MCEMXNIAOAUVGY-NEPJUHHUSA-N 1 0 279.409 2.327 10 0 CEAERO COc1ccc([C@@H](O)C[NH2+]CC2(O)CCCCCC2)cc1 ZINC000092021160 180308189 /nfs/dbraw/zinc/30/81/89/180308189.db2.gz OOYUWJGAHLWBJJ-INIZCTEOSA-N 1 0 293.407 2.404 10 0 CEAERO CCC[NH2+][C@@H](C)c1cccc(-n2cc(C(N)=O)cn2)c1 ZINC000092024206 180308599 /nfs/dbraw/zinc/30/85/99/180308599.db2.gz NJHFRJHNAKYVGD-NSHDSACASA-N 1 0 272.352 2.032 10 0 CEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N[C@@H](C)CC)c(F)c1 ZINC000092115789 180327272 /nfs/dbraw/zinc/32/72/72/180327272.db2.gz QXOPMHMGHWYUCW-JTQLQIEISA-N 1 0 288.388 2.012 10 0 CEAERO Cc1ncc(C[NH2+]C[C@H]2CCC[C@H]2O)n1-c1ccccc1 ZINC000092129194 180330054 /nfs/dbraw/zinc/33/00/54/180330054.db2.gz BZDILXPMAPFPIB-RHSMWYFYSA-N 1 0 285.391 2.431 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000092132963 180330582 /nfs/dbraw/zinc/33/05/82/180330582.db2.gz CGNKFYRLWMUZDG-VHSXEESVSA-N 1 0 299.212 2.482 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)N(C)Cc1ccc(SC)cc1 ZINC000092134106 180331740 /nfs/dbraw/zinc/33/17/40/180331740.db2.gz OKFMKUBEJQQDHZ-LLVKDONJSA-N 1 0 266.410 2.222 10 0 CEAERO CCC[NH2+][C@@H](CC)Cc1nc(C(C)(C)OC)no1 ZINC000092141385 180334524 /nfs/dbraw/zinc/33/45/24/180334524.db2.gz URBRZMQVTWUNHU-JTQLQIEISA-N 1 0 255.362 2.272 10 0 CEAERO C[C@H]1C[NH+](CCOc2ccc(CC(N)=S)cc2)C[C@@H]1C ZINC000092085482 180320483 /nfs/dbraw/zinc/32/04/83/180320483.db2.gz XIGHJBBCMXOXGO-STQMWFEESA-N 1 0 292.448 2.482 10 0 CEAERO C[C@H]1CN(c2cncc(C[NH2+]C(C)(C)C)n2)C[C@@H]1C ZINC000092088908 180321048 /nfs/dbraw/zinc/32/10/48/180321048.db2.gz TVDUGOCKQRQBGB-RYUDHWBXSA-N 1 0 262.401 2.457 10 0 CEAERO COCC[NH2+]Cc1sc(N2C[C@H](C)[C@H](C)C2)nc1C ZINC000092089811 180321274 /nfs/dbraw/zinc/32/12/74/180321274.db2.gz XCUYUCQSUJHIQH-PHIMTYICSA-N 1 0 283.441 2.280 10 0 CEAERO C[C@@H]1CN(c2nc(C[NH2+]C3CC3)cs2)C[C@H]1C ZINC000092090187 180322305 /nfs/dbraw/zinc/32/23/05/180322305.db2.gz NDKXXEKYMQIIGG-NXEZZACHSA-N 1 0 251.399 2.487 10 0 CEAERO C[C@H]1CN(c2nc(C[NH2+]C3CC3)cs2)C[C@H]1C ZINC000092090185 180322508 /nfs/dbraw/zinc/32/25/08/180322508.db2.gz NDKXXEKYMQIIGG-AOOOYVTPSA-N 1 0 251.399 2.487 10 0 CEAERO Cc1ccc(NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)cc1Cl ZINC000092201106 180342432 /nfs/dbraw/zinc/34/24/32/180342432.db2.gz WVFSDAUPDZBGIR-NXEZZACHSA-N 1 0 250.729 2.490 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)N[C@H](c2ccccc2)C2CC2)C1 ZINC000092203430 180343329 /nfs/dbraw/zinc/34/33/29/180343329.db2.gz DNONNYCNGWQBKR-RBSFLKMASA-N 1 0 256.349 2.157 10 0 CEAERO COc1ccccc1[C@H](C)N(C)C(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092204917 180344247 /nfs/dbraw/zinc/34/42/47/180344247.db2.gz BCRWPDHVGVCOFC-RWMBFGLXSA-N 1 0 274.364 2.118 10 0 CEAERO CC[C@H](NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1)c1cccs1 ZINC000092206947 180344392 /nfs/dbraw/zinc/34/43/92/180344392.db2.gz PSEWYZLXAKXDDT-MXWKQRLJSA-N 1 0 250.367 2.219 10 0 CEAERO Cc1nn(C[C@H]2COc3ccccc32)c(C)c1C[NH3+] ZINC000092304768 180360143 /nfs/dbraw/zinc/36/01/43/180360143.db2.gz AMAZHXGUVQPPTN-LBPRGKRZSA-N 1 0 257.337 2.135 10 0 CEAERO CSc1ccccc1C(=O)N(C)[C@@H]1CCC[NH2+]C1 ZINC000092232125 180348679 /nfs/dbraw/zinc/34/86/79/180348679.db2.gz WWHCXGPXNVPKQE-LLVKDONJSA-N 1 0 264.394 2.233 10 0 CEAERO CSc1ccccc1C(=O)N[C@@H](C[NH3+])C(C)C ZINC000092232374 180348779 /nfs/dbraw/zinc/34/87/79/180348779.db2.gz PDPZQIFVZINIFA-NSHDSACASA-N 1 0 252.383 2.122 10 0 CEAERO C[NH2+]CCCc1nnc([C@H]2CSc3ccccc32)o1 ZINC000092240327 180351485 /nfs/dbraw/zinc/35/14/85/180351485.db2.gz OJSQZLUGBRGKDQ-NSHDSACASA-N 1 0 275.377 2.459 10 0 CEAERO [NH3+]CCc1nnc([C@H]2CSc3ccccc32)s1 ZINC000092240627 180351518 /nfs/dbraw/zinc/35/15/18/180351518.db2.gz DCDKYYSGIRWEKQ-VIFPVBQESA-N 1 0 263.391 2.277 10 0 CEAERO c1ccc(SCC[NH2+]C[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000092260460 180354220 /nfs/dbraw/zinc/35/42/20/180354220.db2.gz TZJIGMSQXCXGHL-HUUCEWRRSA-N 1 0 292.448 2.232 10 0 CEAERO Nc1cc(N)[nH+]c(SC[C@H]2Cc3ccccc3S2)n1 ZINC000092262651 180355174 /nfs/dbraw/zinc/35/51/74/180355174.db2.gz AKERDMLSFVYEQY-SECBINFHSA-N 1 0 290.417 2.450 10 0 CEAERO [NH3+]CCc1cnn(C[C@@H]2Cc3ccccc3S2)c1 ZINC000092271341 180355620 /nfs/dbraw/zinc/35/56/20/180355620.db2.gz KPQYJPXCUCKOJK-ZDUSSCGKSA-N 1 0 259.378 2.101 10 0 CEAERO CC(C)[N@H+](CCO)C[C@@H]1Cc2ccccc2S1 ZINC000092270235 180356028 /nfs/dbraw/zinc/35/60/28/180356028.db2.gz SFTAJNZUQIMTEP-ZDUSSCGKSA-N 1 0 251.395 2.406 10 0 CEAERO COc1ccccc1OCC[NH2+]C[C@@H]1CCCCO1 ZINC000105876369 186082247 /nfs/dbraw/zinc/08/22/47/186082247.db2.gz FIORSWMKGVTQFU-ZDUSSCGKSA-N 1 0 265.353 2.233 10 0 CEAERO c1ccc2c(c1)OC[C@@H]2CN1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000092304428 180359602 /nfs/dbraw/zinc/35/96/02/180359602.db2.gz MYQVXXWPWYDSAN-CWRNSKLLSA-N 1 0 272.392 2.379 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)OCc2cccc(Cl)c2)C1 ZINC000092177589 180337331 /nfs/dbraw/zinc/33/73/31/180337331.db2.gz MJMLJQJVSKIYDK-PWSUYJOCSA-N 1 0 251.713 2.287 10 0 CEAERO COc1ccccc1-c1noc([C@H]2C=C[C@H]([NH3+])C2)n1 ZINC000092181407 180338168 /nfs/dbraw/zinc/33/81/68/180338168.db2.gz RIBULWKYEKPHLK-UWVGGRQHSA-N 1 0 257.293 2.116 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](c2nc(Cc3ccc(F)cc3F)no2)C1 ZINC000092181947 180338855 /nfs/dbraw/zinc/33/88/55/180338855.db2.gz URMPRNKQKZVJIL-KOLCDFICSA-N 1 0 277.274 2.309 10 0 CEAERO COCC[N@@H+]1CCN(CCCOc2ccccc2)C[C@@H]1C ZINC000105832528 186075474 /nfs/dbraw/zinc/07/54/74/186075474.db2.gz COYFMUJJOCUZEX-INIZCTEOSA-N 1 0 292.423 2.108 10 0 CEAERO CCOCC[N@@H+]1CCN(Cc2c(C)noc2C)C[C@@H]1CC ZINC000105837609 186075729 /nfs/dbraw/zinc/07/57/29/186075729.db2.gz CONHCSZSXAKVSS-HNNXBMFYSA-N 1 0 295.427 2.224 10 0 CEAERO Cc1cnn([C@@H]2CCC[N@H+](Cc3ccccn3)C2)c1 ZINC000105923376 186090816 /nfs/dbraw/zinc/09/08/16/186090816.db2.gz UGKXPVVSMSYCQC-OAHLLOKOSA-N 1 0 256.353 2.424 10 0 CEAERO CC(C)c1nc(CN2CCO[C@H](C[NH+](C)C)C2)cs1 ZINC000105924947 186091289 /nfs/dbraw/zinc/09/12/89/186091289.db2.gz GMSIGLZDJXDJCV-CYBMUJFWSA-N 1 0 283.441 2.029 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)NCc1c(C)nn(C)c1C ZINC000092326188 180362655 /nfs/dbraw/zinc/36/26/55/180362655.db2.gz SQQZWZBSEDWLQM-UHFFFAOYSA-N 1 0 294.443 2.198 10 0 CEAERO C[C@H]1CN(Cc2ccncc2Br)C[C@H]1[NH+](C)C ZINC000625275278 350449978 /nfs/dbraw/zinc/44/99/78/350449978.db2.gz MWKIDQBRAUVNGA-GXFFZTMASA-N 1 0 298.228 2.226 10 0 CEAERO C[C@@H](C[NH3+])[C@H](O)c1c(F)c(F)c(F)c(F)c1F ZINC000106205655 186103425 /nfs/dbraw/zinc/10/34/25/186103425.db2.gz IVHJWUOMRHLVFS-RBIRDRSCSA-N 1 0 255.186 2.010 10 0 CEAERO CCC(CC)[N@H+](CCOC)Cc1cccc(N)n1 ZINC000092369845 180370357 /nfs/dbraw/zinc/37/03/57/180370357.db2.gz QYZXVWMRVBNAMD-UHFFFAOYSA-N 1 0 251.374 2.301 10 0 CEAERO C[NH2+][C@H]1c2cc(OC)ccc2CC[C@H]1S(=O)(=O)C(C)C ZINC000092388703 180374618 /nfs/dbraw/zinc/37/46/18/180374618.db2.gz XEEXHRGGUTZNMI-CABCVRRESA-N 1 0 297.420 2.094 10 0 CEAERO COc1ccc2c(c1)[C@@H](O)[C@H]([NH+]1CCC(OC)CC1)CC2 ZINC000092387768 180374629 /nfs/dbraw/zinc/37/46/29/180374629.db2.gz FXJFKLDZRXRNNN-IAGOWNOFSA-N 1 0 291.391 2.154 10 0 CEAERO CC[C@H](C)S(=O)(=O)[C@H]1CCc2ccc(OC)cc2[C@@H]1[NH3+] ZINC000092388625 180374866 /nfs/dbraw/zinc/37/48/66/180374866.db2.gz JFCIAXFXDQIDKJ-LKTVYLICSA-N 1 0 297.420 2.223 10 0 CEAERO CC[NH2+][C@H]1c2cc(OC)ccc2CC[C@@H]1S(=O)(=O)CC ZINC000092388591 180374869 /nfs/dbraw/zinc/37/48/69/180374869.db2.gz GCALLKJSODTWOV-GJZGRUSLSA-N 1 0 297.420 2.095 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@H](SCCCO)CC2 ZINC000092390232 180375417 /nfs/dbraw/zinc/37/54/17/180375417.db2.gz JUOZYVPQOSFFQJ-KGLIPLIRSA-N 1 0 267.394 2.125 10 0 CEAERO COCCS[C@H]1CCc2ccc(OC)cc2[C@@H]1[NH3+] ZINC000092389353 180375517 /nfs/dbraw/zinc/37/55/17/180375517.db2.gz ROOLMVGARLVAFT-KBPBESRZSA-N 1 0 267.394 2.389 10 0 CEAERO CCNc1cc[nH+]c(CN(CC)[C@@H](C)COC)c1 ZINC000092418345 180380789 /nfs/dbraw/zinc/38/07/89/180380789.db2.gz JHDCUAPDXKRBOY-LBPRGKRZSA-N 1 0 251.374 2.370 10 0 CEAERO CCNc1cc[nH+]c(CN2CCCC[C@@H]2C(=O)OCC)c1 ZINC000092418246 180381042 /nfs/dbraw/zinc/38/10/42/180381042.db2.gz OFIPHYRUICWYOC-OAHLLOKOSA-N 1 0 291.395 2.431 10 0 CEAERO CC[C@H](C)N(CCOC)Cc1cc(NC)cc[nH+]1 ZINC000092418758 180381271 /nfs/dbraw/zinc/38/12/71/180381271.db2.gz STRHBFYZCKKSQN-LBPRGKRZSA-N 1 0 251.374 2.370 10 0 CEAERO CNc1cc[nH+]c(CN2C[C@H](C)S[C@@H](C)C2)c1 ZINC000092419295 180382370 /nfs/dbraw/zinc/38/23/70/180382370.db2.gz NPSOWPKMSOZBMI-QWRGUYRKSA-N 1 0 251.399 2.449 10 0 CEAERO CCc1[nH+]c(-c2ccc3c(c2)OCCO3)c(N)n1C ZINC000106832915 186137429 /nfs/dbraw/zinc/13/74/29/186137429.db2.gz OXEFQZBTTJYLKQ-UHFFFAOYSA-N 1 0 259.309 2.003 10 0 CEAERO CCn1c(C)[nH+]c(-c2ccc3c(c2)CCN3C)c1N ZINC000106831119 186138347 /nfs/dbraw/zinc/13/83/47/186138347.db2.gz KYRWPGIXEWNAMJ-UHFFFAOYSA-N 1 0 256.353 2.453 10 0 CEAERO CC[NH2+][C@H]1c2cc(OC)ccc2CC[C@@H]1OCCOC ZINC000092386360 180373753 /nfs/dbraw/zinc/37/37/53/180373753.db2.gz KRIPJHZQNUWLAB-HOTGVXAUSA-N 1 0 279.380 2.324 10 0 CEAERO C[NH2+][C@@H]1c2cc(OC)ccc2CC[C@@H]1N(C)C1CC1 ZINC000092385366 180373763 /nfs/dbraw/zinc/37/37/63/180373763.db2.gz KBEJXTAYTMNHCO-JKSUJKDBSA-N 1 0 260.381 2.365 10 0 CEAERO Cc1nn(Cc2cccc(C)n2)c(C)c1C[C@H](C)[NH3+] ZINC000092432552 180384467 /nfs/dbraw/zinc/38/44/67/180384467.db2.gz SIUXTXAQHQCKBJ-JTQLQIEISA-N 1 0 258.369 2.141 10 0 CEAERO C[N@@H+]1CCCC[C@@H]1CC[NH+](CC(=O)[O-])C(C)(C)C ZINC000092449335 180387199 /nfs/dbraw/zinc/38/71/99/180387199.db2.gz JDIJWTDGXQNUSW-GFCCVEGCSA-N 1 0 256.390 2.046 10 0 CEAERO COC(=O)c1ccc(Cl)cc1NC(=O)C[NH2+]C(C)(C)C ZINC000092460654 180389609 /nfs/dbraw/zinc/38/96/09/180389609.db2.gz WCEONFVMWMWREA-UHFFFAOYSA-N 1 0 298.770 2.453 10 0 CEAERO COc1cccc(-c2cn3c(n2)[C@@H](C)C[C@@H]([NH3+])C3)c1 ZINC000107827677 186194739 /nfs/dbraw/zinc/19/47/39/186194739.db2.gz QAPNXILXFLRADG-CMPLNLGQSA-N 1 0 257.337 2.393 10 0 CEAERO CN(Cc1cccc2c1NCC2)C[C@H]1CC[N@H+](C)C1 ZINC000130557037 365967770 /nfs/dbraw/zinc/96/77/70/365967770.db2.gz LJCUXCSNIYUWJM-ZDUSSCGKSA-N 1 0 259.397 2.038 10 0 CEAERO CC(C)[C@H]([NH3+])[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000092598489 180411336 /nfs/dbraw/zinc/41/13/36/180411336.db2.gz CTYHFFNABPTFDK-GWCFXTLKSA-N 1 0 255.383 2.177 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)c1cccc(F)c1N ZINC000092624235 180417711 /nfs/dbraw/zinc/41/77/11/180417711.db2.gz MJLDRPFVRWBWLR-LLVKDONJSA-N 1 0 251.349 2.328 10 0 CEAERO COC[C@@H](C)C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000109107811 186242908 /nfs/dbraw/zinc/24/29/08/186242908.db2.gz DFVYAQNCWNBXOB-GDBMZVCRSA-N 1 0 296.455 2.430 10 0 CEAERO COc1ccc(OCC[NH2+]CC2(O)CCCCC2)cc1 ZINC000109121838 186244248 /nfs/dbraw/zinc/24/42/48/186244248.db2.gz OGNVCYRXCZASKQ-UHFFFAOYSA-N 1 0 279.380 2.359 10 0 CEAERO [NH3+][C@H]1CCCCC[C@@H]1c1nc(C[C@@H]2CCCO2)no1 ZINC000109495524 186256727 /nfs/dbraw/zinc/25/67/27/186256727.db2.gz KEGRTAXMGAXYRN-SRVKXCTJSA-N 1 0 265.357 2.166 10 0 CEAERO CC[NH2+][C@@H](Cc1nc(-c2ccncc2)no1)C1CC1 ZINC000109498576 186257046 /nfs/dbraw/zinc/25/70/46/186257046.db2.gz SVWUVLCRBHRCAX-LBPRGKRZSA-N 1 0 258.325 2.062 10 0 CEAERO COc1ccccc1-c1noc([C@@H]2CCC[C@H]2[NH3+])n1 ZINC000109503615 186257245 /nfs/dbraw/zinc/25/72/45/186257245.db2.gz XNLDVSHWYSHWCO-MWLCHTKSSA-N 1 0 259.309 2.340 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@H]1c1nc(Cc2ccccn2)no1 ZINC000109499492 186257248 /nfs/dbraw/zinc/25/72/48/186257248.db2.gz USSQLNRPKCLKDW-CHWSQXEVSA-N 1 0 272.352 2.430 10 0 CEAERO CCOc1cccc(-c2noc(CC[C@@H](C)[NH3+])n2)c1 ZINC000109502834 186257334 /nfs/dbraw/zinc/25/73/34/186257334.db2.gz LGSJWVFBHCXVJX-SNVBAGLBSA-N 1 0 261.325 2.415 10 0 CEAERO COc1ccc(-c2noc([C@@H]3CCC[C@H]3[NH3+])n2)cc1 ZINC000109502979 186257747 /nfs/dbraw/zinc/25/77/47/186257747.db2.gz RJXPDOQDFJLGCJ-VXGBXAGGSA-N 1 0 259.309 2.340 10 0 CEAERO CCC[NH2+][C@H](C)[C@H](CC)c1nc(-c2cnccn2)no1 ZINC000109507123 186257991 /nfs/dbraw/zinc/25/79/91/186257991.db2.gz YYCZJNWXXMVOAJ-MNOVXSKESA-N 1 0 275.356 2.408 10 0 CEAERO CC[NH2+][C@H](C)CCc1nc(CC(F)(F)F)no1 ZINC000109517381 186259131 /nfs/dbraw/zinc/25/91/31/186259131.db2.gz ANKXEMONELRXLK-SSDOTTSWSA-N 1 0 251.252 2.105 10 0 CEAERO Cc1ccccc1Cc1noc(C[C@H]([NH3+])C(C)C)n1 ZINC000109519372 186259272 /nfs/dbraw/zinc/25/92/72/186259272.db2.gz NEOZQERMSSTPOP-ZDUSSCGKSA-N 1 0 259.353 2.495 10 0 CEAERO CC[NH2+][C@@H]1C(=O)Nc2cc(OC[C@@H]3CCCCO3)ccc21 ZINC000109574175 186263808 /nfs/dbraw/zinc/26/38/08/186263808.db2.gz RFBXUZHIGMGYBQ-WFASDCNBSA-N 1 0 290.363 2.237 10 0 CEAERO C[C@@H]1CCCC[C@H]1NC(=S)N1CCC[C@@H]1C[NH+](C)C ZINC000109670920 186268670 /nfs/dbraw/zinc/26/86/70/186268670.db2.gz XKULJINOMANIGW-MGPQQGTHSA-N 1 0 283.485 2.466 10 0 CEAERO CC[C@@H](CC[NH3+])N(C)c1ccccc1C(=O)OC ZINC000109684799 186268933 /nfs/dbraw/zinc/26/89/33/186268933.db2.gz NKYHHYCLWFEJHT-NSHDSACASA-N 1 0 250.342 2.037 10 0 CEAERO C[C@H]1CC[NH2+]C[C@@H]1Nc1ccc(Br)cn1 ZINC000335657964 212375950 /nfs/dbraw/zinc/37/59/50/212375950.db2.gz QJZMXJYHYHNZIT-WPRPVWTQSA-N 1 0 270.174 2.254 10 0 CEAERO Cn1cnnc1CC[NH2+][C@@H]1CCCCc2ccccc21 ZINC000109421160 186251467 /nfs/dbraw/zinc/25/14/67/186251467.db2.gz XYGHMGVWGSUDHC-OAHLLOKOSA-N 1 0 270.380 2.415 10 0 CEAERO Nc1cccc(F)c1CN1CC[NH+](C2CCCC2)CC1 ZINC000109427811 186252045 /nfs/dbraw/zinc/25/20/45/186252045.db2.gz HHLMNGZKETUCDA-UHFFFAOYSA-N 1 0 277.387 2.468 10 0 CEAERO FC(F)(F)CO[C@H]1CCC[C@H]([NH2+][C@@H]2CCOC2)C1 ZINC000109430959 186252289 /nfs/dbraw/zinc/25/22/89/186252289.db2.gz UZKCNSKJKQQJOA-AXFHLTTASA-N 1 0 267.291 2.255 10 0 CEAERO CC[C@@H](c1nc(C)cc(C(C)(C)C)n1)N1CC[NH2+]CC1 ZINC000109475959 186254626 /nfs/dbraw/zinc/25/46/26/186254626.db2.gz PCYYVQMTYUQIAR-ZDUSSCGKSA-N 1 0 276.428 2.439 10 0 CEAERO C[C@H](c1nc(C2CC2)cc(C2CC2)n1)N1CC[NH2+]CC1 ZINC000109475677 186255168 /nfs/dbraw/zinc/25/51/68/186255168.db2.gz VCTKEBAMDHPJTR-LLVKDONJSA-N 1 0 272.396 2.198 10 0 CEAERO CCc1c(C)nc([C@@H](CC)N2CC[NH2+]CC2)nc1C ZINC000109475927 186255189 /nfs/dbraw/zinc/25/51/89/186255189.db2.gz AMYDSWISVKSHBB-CQSZACIVSA-N 1 0 262.401 2.012 10 0 CEAERO O=C(c1ccc(O)cc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000110325675 186291678 /nfs/dbraw/zinc/29/16/78/186291678.db2.gz MQNCUMOZSFIMPV-AWEZNQCLSA-N 1 0 274.364 2.093 10 0 CEAERO Cc1nnc(S[C@@H](c2cccs2)[C@@H](C)[NH3+])n1C ZINC000110353438 186293589 /nfs/dbraw/zinc/29/35/89/186293589.db2.gz ZVYRKXWWOWFTLI-GMSGAONNSA-N 1 0 268.411 2.366 10 0 CEAERO COc1cccc([C@H](Sc2nnc(C)n2C)[C@H](C)[NH3+])c1 ZINC000110353385 186293629 /nfs/dbraw/zinc/29/36/29/186293629.db2.gz KRVMTDOFLUIHFH-TVQRCGJNSA-N 1 0 292.408 2.313 10 0 CEAERO C[NH+](C)[C@@H]1CCN(Cc2ccc3c(c2)CCCN3)C1 ZINC000110370554 186294114 /nfs/dbraw/zinc/29/41/14/186294114.db2.gz BWAMRJNOHNEKHV-OAHLLOKOSA-N 1 0 259.397 2.181 10 0 CEAERO C[NH2+][C@H](C)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000110444864 186296182 /nfs/dbraw/zinc/29/61/82/186296182.db2.gz BCFMUVFFQUDETP-SSDOTTSWSA-N 1 0 253.252 2.165 10 0 CEAERO CCC[C@H](Cc1nc(-c2ccccn2)no1)[NH2+]CC ZINC000110461179 186297040 /nfs/dbraw/zinc/29/70/40/186297040.db2.gz QKWKDFLCHIEXBO-LLVKDONJSA-N 1 0 260.341 2.452 10 0 CEAERO [NH3+]Cc1ccc(CC(=O)N[C@@H]2C[C@@H]2c2ccccc2)cc1 ZINC000110613505 186304878 /nfs/dbraw/zinc/30/48/78/186304878.db2.gz HZTJSIOWRQXLJJ-IAGOWNOFSA-N 1 0 280.371 2.360 10 0 CEAERO C[C@@H](Cc1ccco1)NC(=O)Cc1ccc(C[NH3+])cc1 ZINC000110612749 186305481 /nfs/dbraw/zinc/30/54/81/186305481.db2.gz FFIVBSVGWPOFER-LBPRGKRZSA-N 1 0 272.348 2.028 10 0 CEAERO COc1cc2c(cc1F)[nH]c(=S)n2[C@H]1CC[N@H+](C)C1 ZINC000110628646 186306891 /nfs/dbraw/zinc/30/68/91/186306891.db2.gz YTVOLQXFDNQQCP-QMMMGPOBSA-N 1 0 281.356 2.349 10 0 CEAERO CCOc1cc(N(C)C2CC[NH+](C)CC2)c(N)cc1F ZINC000110632329 186307412 /nfs/dbraw/zinc/30/74/12/186307412.db2.gz BTAAAQDZZPENJM-UHFFFAOYSA-N 1 0 281.375 2.337 10 0 CEAERO CC(C)Oc1cc(N2CCC[N@H+](C)CC2)c(N)cc1F ZINC000110635846 186307428 /nfs/dbraw/zinc/30/74/28/186307428.db2.gz QFEWNBPFRWGMBV-UHFFFAOYSA-N 1 0 281.375 2.337 10 0 CEAERO C[N@@H+](Cc1cccnc1C(N)=S)CC1CCCC1 ZINC000110836872 186328761 /nfs/dbraw/zinc/32/87/61/186328761.db2.gz FQXXRUQGDAXDNU-UHFFFAOYSA-N 1 0 263.410 2.338 10 0 CEAERO CCOC(=O)[C@@H](CC[N@H+](C)CC1CCCC1)NC1CC1 ZINC000110841035 186329043 /nfs/dbraw/zinc/32/90/43/186329043.db2.gz KPTYQEPDCJYHCN-OAHLLOKOSA-N 1 0 282.428 2.182 10 0 CEAERO Cc1ccc(-c2nc(CN(C)[C@H]3CCC[NH2+]C3)no2)cc1 ZINC000110930656 186333841 /nfs/dbraw/zinc/33/38/41/186333841.db2.gz AOHZGRBMHFQJOM-AWEZNQCLSA-N 1 0 286.379 2.229 10 0 CEAERO CN(Cc1cc(-c2ccco2)on1)[C@H]1CCC[NH2+]C1 ZINC000110929110 186334065 /nfs/dbraw/zinc/33/40/65/186334065.db2.gz HJTPRPRMYJXAAW-LBPRGKRZSA-N 1 0 261.325 2.118 10 0 CEAERO CCc1ccc(S(=O)(=O)N(CC)[C@@H]2CCC[NH2+]C2)cc1 ZINC000110941786 186334604 /nfs/dbraw/zinc/33/46/04/186334604.db2.gz GBHYAOXTEFNIDG-CQSZACIVSA-N 1 0 296.436 2.012 10 0 CEAERO CCCN(C(=O)c1cccs1)[C@@H]1CCC[NH2+]C1 ZINC000110940599 186334841 /nfs/dbraw/zinc/33/48/41/186334841.db2.gz SKCLAMFYDNSTNC-LLVKDONJSA-N 1 0 252.383 2.352 10 0 CEAERO CCN(C(=O)c1c[nH]c2ccccc12)[C@H]1CCC[NH2+]C1 ZINC000110939625 186335020 /nfs/dbraw/zinc/33/50/20/186335020.db2.gz FXTCVYDTXBUDAL-LBPRGKRZSA-N 1 0 271.364 2.382 10 0 CEAERO CCN(Cc1ccnc(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000110943829 186335493 /nfs/dbraw/zinc/33/54/93/186335493.db2.gz BISBJPBINYYNLG-GFCCVEGCSA-N 1 0 253.777 2.309 10 0 CEAERO [NH3+]C1(c2nc(Cc3nc4ccccc4[nH]3)no2)CCCC1 ZINC000110949341 186335495 /nfs/dbraw/zinc/33/54/95/186335495.db2.gz UTJYMHJNAUGXJB-UHFFFAOYSA-N 1 0 283.335 2.265 10 0 CEAERO CCCCNC(=O)[C@@H](C)n1c(CC[NH3+])nc2ccccc21 ZINC000110948974 186335666 /nfs/dbraw/zinc/33/56/66/186335666.db2.gz HVUWRWXWYDQFRW-GFCCVEGCSA-N 1 0 288.395 2.015 10 0 CEAERO [NH3+]CCc1nc2ccccc2n1CCOCC(F)(F)F ZINC000110948746 186335715 /nfs/dbraw/zinc/33/57/15/186335715.db2.gz SSCBDMZUOWYFSC-UHFFFAOYSA-N 1 0 287.285 2.116 10 0 CEAERO C[NH2+][C@H](C)c1ccc(C)cc1OCC(=O)N1CCCC1 ZINC000110960372 186336234 /nfs/dbraw/zinc/33/62/34/186336234.db2.gz PZMPKXWEKLYHHM-CYBMUJFWSA-N 1 0 276.380 2.277 10 0 CEAERO Cc1ccc([C@H](C)[NH3+])c(O[C@@H](C)C(=O)N2CCCC2)c1 ZINC000110957659 186336570 /nfs/dbraw/zinc/33/65/70/186336570.db2.gz SHGCRFYABLMFGU-STQMWFEESA-N 1 0 276.380 2.404 10 0 CEAERO Cc1ccc([C@H](C)[NH3+])c(O[C@@H](C)C(=O)NC(C)C)c1 ZINC000110957821 186336657 /nfs/dbraw/zinc/33/66/57/186336657.db2.gz NNHHSCHMESQKMP-RYUDHWBXSA-N 1 0 264.369 2.307 10 0 CEAERO CCCNC(=O)[C@H](C)Oc1cc(C)ccc1[C@H](C)[NH3+] ZINC000110957685 186336906 /nfs/dbraw/zinc/33/69/06/186336906.db2.gz GWTPNLJULPXELU-RYUDHWBXSA-N 1 0 264.369 2.308 10 0 CEAERO CSc1ccc(O[C@@H](C[NH3+])c2cnn(C)c2)cc1 ZINC000110981357 186338571 /nfs/dbraw/zinc/33/85/71/186338571.db2.gz CJUNFHHIAVKCAB-ZDUSSCGKSA-N 1 0 263.366 2.221 10 0 CEAERO C[N@@H+]1CCN(C(=O)c2ccc(Cl)cc2N)CC1(C)C ZINC000110701556 186315105 /nfs/dbraw/zinc/31/51/05/186315105.db2.gz ZOVKZKCGIMPMLU-UHFFFAOYSA-N 1 0 281.787 2.088 10 0 CEAERO C[C@H]1CN(CCC(=O)c2ccc(F)cc2)CC[N@@H+]1C ZINC000110727234 186317226 /nfs/dbraw/zinc/31/72/26/186317226.db2.gz AJZDXCRAKKFCEC-LBPRGKRZSA-N 1 0 264.344 2.034 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)N1CCN(CC)[C@@H](C)C1 ZINC000110724121 186317751 /nfs/dbraw/zinc/31/77/51/186317751.db2.gz JDHHXOCODJQZCI-AWEZNQCLSA-N 1 0 283.460 2.084 10 0 CEAERO Cc1ccccc1[C@@H](O)CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000110748214 186321137 /nfs/dbraw/zinc/32/11/37/186321137.db2.gz DEZJVPBPQUCZHY-INIZCTEOSA-N 1 0 276.424 2.445 10 0 CEAERO C[C@@H]1CN(c2nc(C(C)(C)C)c(C[NH3+])s2)CCN1C ZINC000110760001 186322449 /nfs/dbraw/zinc/32/24/49/186322449.db2.gz MCTPDLUAOZRNMJ-SNVBAGLBSA-N 1 0 282.457 2.040 10 0 CEAERO CCOC(=O)c1cc(C)sc1NC(=O)CC[NH2+]C1CC1 ZINC000110777803 186324201 /nfs/dbraw/zinc/32/42/01/186324201.db2.gz WXITUDFSTQMIDD-UHFFFAOYSA-N 1 0 296.392 2.314 10 0 CEAERO Nc1cccc(Cl)c1C(=O)NCCC[NH+]1CCCC1 ZINC000111009892 186342135 /nfs/dbraw/zinc/34/21/35/186342135.db2.gz RLZRKOZAFZIYDA-UHFFFAOYSA-N 1 0 281.787 2.138 10 0 CEAERO C[NH2+][C@H](C)c1ccc(SCCS(C)(=O)=O)c(F)c1 ZINC000111005128 186342520 /nfs/dbraw/zinc/34/25/20/186342520.db2.gz GSHCVRSQRVPWKM-SECBINFHSA-N 1 0 291.413 2.243 10 0 CEAERO CCCc1[nH+]c2cc(N)ccc2n1[C@@H]1CCC(=O)NC1 ZINC000111024791 186346271 /nfs/dbraw/zinc/34/62/71/186346271.db2.gz AANLHMUVEIQAIZ-LLVKDONJSA-N 1 0 272.352 2.022 10 0 CEAERO CC(C)[C@H](C[NH+](C)C)Nc1ccc(F)cc1C(N)=S ZINC000111031096 186346995 /nfs/dbraw/zinc/34/69/95/186346995.db2.gz RRKMLQWIBIQJKH-ZDUSSCGKSA-N 1 0 283.416 2.458 10 0 CEAERO CN(C[C@H]1CCCOC1)[C@@H](C[NH3+])c1c(F)cccc1F ZINC000111157977 186361768 /nfs/dbraw/zinc/36/17/68/186361768.db2.gz JTYOHPYEEAUDQC-RISCZKNCSA-N 1 0 284.350 2.323 10 0 CEAERO C[NH2+][C@@H](CN(C)C[C@@H]1CCCOC1)c1cccc(OC)c1 ZINC000111160668 186363036 /nfs/dbraw/zinc/36/30/36/186363036.db2.gz VNBFVSAKQJZMQZ-YOEHRIQHSA-N 1 0 292.423 2.314 10 0 CEAERO CC(C)(C)S(=O)(=O)N(CCC[NH3+])c1ccccc1F ZINC000111071242 186350861 /nfs/dbraw/zinc/35/08/61/186350861.db2.gz KPGZAQLRRPAOML-UHFFFAOYSA-N 1 0 288.388 2.109 10 0 CEAERO CC(C)(C)S(=O)(=O)N[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC000111072776 186351049 /nfs/dbraw/zinc/35/10/49/186351049.db2.gz WYNDVXCJBWUCPP-GFCCVEGCSA-N 1 0 288.457 2.159 10 0 CEAERO COc1ccccc1[C@H](N)C[N@H+](C)CC1CCOCC1 ZINC000111161780 186363557 /nfs/dbraw/zinc/36/35/57/186363557.db2.gz ZTYNBEDAGNBLIF-OAHLLOKOSA-N 1 0 278.396 2.053 10 0 CEAERO CCCOCCOc1nc2c(cc1C[NH3+])CCCC2 ZINC000111105254 186352563 /nfs/dbraw/zinc/35/25/63/186352563.db2.gz GWKGMNKGOXCSAX-UHFFFAOYSA-N 1 0 264.369 2.225 10 0 CEAERO CCCOCCO[C@@H](c1cccnc1)[C@@H]([NH3+])CC ZINC000111105995 186352825 /nfs/dbraw/zinc/35/28/25/186352825.db2.gz SDHRRAXBPSRCFJ-KBPBESRZSA-N 1 0 252.358 2.303 10 0 CEAERO CCCOCCOC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000111106293 186352996 /nfs/dbraw/zinc/35/29/96/186352996.db2.gz UQEPKPRTWRLNGO-CYBMUJFWSA-N 1 0 251.326 2.046 10 0 CEAERO CCCOCCOC(=O)[C@@]1(CCC)CCC[NH2+]C1 ZINC000111106117 186353011 /nfs/dbraw/zinc/35/30/11/186353011.db2.gz PXPDADAFEZTPLB-AWEZNQCLSA-N 1 0 257.374 2.126 10 0 CEAERO CCCOCCOC[C@@H]([NH3+])c1ccc(OC)cc1 ZINC000111108111 186353690 /nfs/dbraw/zinc/35/36/90/186353690.db2.gz MJAFXJHSKVWEDA-CQSZACIVSA-N 1 0 253.342 2.138 10 0 CEAERO CCCOCCOC[C@H]([NH3+])c1cc(C)ccc1OC ZINC000111108546 186354038 /nfs/dbraw/zinc/35/40/38/186354038.db2.gz ZDZAHLMIPNGEOH-AWEZNQCLSA-N 1 0 267.369 2.447 10 0 CEAERO CCOCCN(CC)C[C@@H]([NH3+])c1ccc(C)cc1 ZINC000111118222 186355599 /nfs/dbraw/zinc/35/55/99/186355599.db2.gz NOLQTRGIDWDZLG-OAHLLOKOSA-N 1 0 250.386 2.353 10 0 CEAERO CN(CCC[NH+](C)C)Cc1cc2ccccc2nc1N ZINC000111146200 186358433 /nfs/dbraw/zinc/35/84/33/186358433.db2.gz GVWYBMIKDWFSAP-UHFFFAOYSA-N 1 0 272.396 2.201 10 0 CEAERO CC(C)c1ccc([C@H](O)CN(C)CC[NH+](C)C)cc1 ZINC000111143150 186358491 /nfs/dbraw/zinc/35/84/91/186358491.db2.gz MEJGNCJZSOJXGQ-MRXNPFEDSA-N 1 0 264.413 2.337 10 0 CEAERO Cc1ccc([C@H](O)CN(C)CCC[NH+](C)C)cc1C ZINC000111143907 186359136 /nfs/dbraw/zinc/35/91/36/186359136.db2.gz JSGOCTGDWMTZPX-MRXNPFEDSA-N 1 0 264.413 2.220 10 0 CEAERO C[NH2+]Cc1cc(F)ccc1N(C)C[C@@H]1CCCOC1 ZINC000111166904 186364042 /nfs/dbraw/zinc/36/40/42/186364042.db2.gz ZHYFQXLYTODVER-LBPRGKRZSA-N 1 0 266.360 2.408 10 0 CEAERO C[N@H+](CC1CCOCC1)C[C@@](C)(CO)c1ccccc1 ZINC000111173403 186365271 /nfs/dbraw/zinc/36/52/71/186365271.db2.gz IJSHQKXLCCYFGL-KRWDZBQOSA-N 1 0 277.408 2.295 10 0 CEAERO C[C@@H]([NH3+])c1ccc(NC(=O)NCC2CCOCC2)cc1 ZINC000111182539 186366211 /nfs/dbraw/zinc/36/62/11/186366211.db2.gz RKEAAALEYGKWQI-LLVKDONJSA-N 1 0 277.368 2.254 10 0 CEAERO CC(C)NCc1noc(-c2ccc3c(c2)COC3)n1 ZINC000111306993 186394363 /nfs/dbraw/zinc/39/43/63/186394363.db2.gz XYSZDTWGZLCOTH-UHFFFAOYSA-N 1 0 259.309 2.265 10 0 CEAERO CN(C)c1nnc(S[C@H]2CCCC[C@@H]2C[NH3+])s1 ZINC000111316276 186395870 /nfs/dbraw/zinc/39/58/70/186395870.db2.gz NCYXCFCXHTVRMO-BDAKNGLRSA-N 1 0 272.443 2.214 10 0 CEAERO CN(C)c1nnc(SCc2cccc(C(N)=[NH2+])c2)s1 ZINC000111315999 186395896 /nfs/dbraw/zinc/39/58/96/186395896.db2.gz FXOHSVFTFYFXEB-UHFFFAOYSA-N 1 0 293.421 2.180 10 0 CEAERO C[NH2+]C[C@]1(CN(C)Cc2ccc(F)cc2)CCCOC1 ZINC000111328764 186399652 /nfs/dbraw/zinc/39/96/52/186399652.db2.gz NZWPGDHISKGMRI-INIZCTEOSA-N 1 0 280.387 2.274 10 0 CEAERO CCC[NH+]1CCC(N(C)Cc2nnc(C(C)C)n2C)CC1 ZINC000111240460 186374326 /nfs/dbraw/zinc/37/43/26/186374326.db2.gz OKGXWTGBUSONGI-UHFFFAOYSA-N 1 0 293.459 2.245 10 0 CEAERO COc1ccc(-c2noc([C@@H]3C[NH2+]C[C@H]3C)n2)cc1OC ZINC000111256448 186378792 /nfs/dbraw/zinc/37/87/92/186378792.db2.gz ATLGOHMKGDOQPJ-MWLCHTKSSA-N 1 0 289.335 2.077 10 0 CEAERO COc1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2C)cc1Cl ZINC000111262841 186380828 /nfs/dbraw/zinc/38/08/28/186380828.db2.gz VWFZQTPXHTZQSE-WPRPVWTQSA-N 1 0 268.744 2.143 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@@H]1c1ccccc1 ZINC000111264110 186381762 /nfs/dbraw/zinc/38/17/62/186381762.db2.gz QGQNIIJZHUJGQQ-NWANDNLSSA-N 1 0 258.365 2.206 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccccc1N1CCCC1 ZINC000111265160 186382135 /nfs/dbraw/zinc/38/21/35/186382135.db2.gz KYPNDJVSPDKAMD-OLZOCXBDSA-N 1 0 273.380 2.081 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc(-n2cccc2)c1 ZINC000111266996 186382394 /nfs/dbraw/zinc/38/23/94/186382394.db2.gz XFPDTWQCMIPJHA-IUODEOHRSA-N 1 0 269.348 2.271 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(-c2cnco2)cc1 ZINC000111267505 186383120 /nfs/dbraw/zinc/38/31/20/186383120.db2.gz UBGQQKWPTIWUOD-MFKMUULPSA-N 1 0 271.320 2.136 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)CCOc1cccc(Cl)c1 ZINC000111268329 186383691 /nfs/dbraw/zinc/38/36/91/186383691.db2.gz MENIKLOKCBHHQK-BXUZGUMPSA-N 1 0 296.798 2.033 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N(C)C1C2CC3CC(C2)CC1C3 ZINC000111268860 186384351 /nfs/dbraw/zinc/38/43/51/186384351.db2.gz IIFAZPFSVZWKQT-NZYIEUEFSA-N 1 0 276.424 2.125 10 0 CEAERO C[C@@H](NC(=O)c1ccc(C[NH3+])cn1)c1ccccc1 ZINC000111281068 186387812 /nfs/dbraw/zinc/38/78/12/186387812.db2.gz YKRHYBDPTGIQIY-LLVKDONJSA-N 1 0 255.321 2.031 10 0 CEAERO CC(C)c1c(Cl)ncnc1N[C@@H]1CC[N@H+](C)C1 ZINC000111297333 186393021 /nfs/dbraw/zinc/39/30/21/186393021.db2.gz PMSPKGHGWQWCEO-SECBINFHSA-N 1 0 254.765 2.369 10 0 CEAERO CN(Cc1cccnc1)c1ccc(F)cc1CC[NH3+] ZINC000111479970 186421580 /nfs/dbraw/zinc/42/15/80/186421580.db2.gz UMLBAFROYZLNKG-UHFFFAOYSA-N 1 0 259.328 2.358 10 0 CEAERO CCO[C@@H]1CCCN(c2ccc(CC[NH3+])cc2F)C1 ZINC000111486377 186422645 /nfs/dbraw/zinc/42/26/45/186422645.db2.gz ZLYHBOAMONWYHX-CYBMUJFWSA-N 1 0 266.360 2.332 10 0 CEAERO COCCCN(C)c1ccc(C[C@@H](C)[NH3+])cc1F ZINC000111499672 186425269 /nfs/dbraw/zinc/42/52/69/186425269.db2.gz DUKZZYMFEXJCPW-LLVKDONJSA-N 1 0 254.349 2.188 10 0 CEAERO COc1cccc(Oc2c(C[C@@H](C)[NH3+])c(C)nn2C)c1 ZINC000111517813 186426092 /nfs/dbraw/zinc/42/60/92/186426092.db2.gz HUUROMUEXHPIFL-SNVBAGLBSA-N 1 0 275.352 2.419 10 0 CEAERO CC[C@@H]([NH3+])Cc1c(-n2cc(C)cn2)nc2sccn12 ZINC000111512911 186426244 /nfs/dbraw/zinc/42/62/44/186426244.db2.gz NZOGYGOBTDNSKZ-SNVBAGLBSA-N 1 0 275.381 2.170 10 0 CEAERO CC1(CNS(=O)(=O)Cc2ccc(C[NH3+])cc2)CCCC1 ZINC000111621469 186432657 /nfs/dbraw/zinc/43/26/57/186432657.db2.gz KUNBNLLCIVMLDJ-UHFFFAOYSA-N 1 0 296.436 2.145 10 0 CEAERO CCC(CC)[C@H](C)[NH2+][C@@H]1CC(=O)N([C@H](C)CC)C1=O ZINC000111667001 186439445 /nfs/dbraw/zinc/43/94/45/186439445.db2.gz VRWISDWODREVTI-NTZNESFSSA-N 1 0 268.401 2.327 10 0 CEAERO [NH3+]C1CCC(OCCNC(=O)Nc2ccc(F)cc2)CC1 ZINC000111789510 186457102 /nfs/dbraw/zinc/45/71/02/186457102.db2.gz HLJFNVIBXDMRSA-UHFFFAOYSA-N 1 0 295.358 2.234 10 0 CEAERO [NH3+]CC[C@@H]1CCCCN1C(=O)C1(c2ccccc2)CC1 ZINC000111363931 186406034 /nfs/dbraw/zinc/40/60/34/186406034.db2.gz OMRRZUNSFTVOBD-HNNXBMFYSA-N 1 0 272.392 2.448 10 0 CEAERO [NH3+]C[C@@H](Cc1ccccc1)NC(=O)c1cccc(F)c1 ZINC000111365888 186406604 /nfs/dbraw/zinc/40/66/04/186406604.db2.gz INUMZZGZTVZBTM-OAHLLOKOSA-N 1 0 272.323 2.126 10 0 CEAERO CCC[NH2+][C@@H](C)CCCCn1c(C)nc(C)cc1=O ZINC000111400961 186412000 /nfs/dbraw/zinc/41/20/00/186412000.db2.gz JJGNXUPWRHGRFJ-LBPRGKRZSA-N 1 0 265.401 2.419 10 0 CEAERO Cc1cc(=O)n(CC[NH2+][C@@H]2CCC[C@H](C)C2)c(C)n1 ZINC000111402720 186413335 /nfs/dbraw/zinc/41/33/35/186413335.db2.gz PHEQWNYITQQXRV-SMDDNHRTSA-N 1 0 263.385 2.028 10 0 CEAERO CCC[NH2+]CCCS(=O)(=O)N1CCCc2ccccc21 ZINC000088925032 535157740 /nfs/dbraw/zinc/15/77/40/535157740.db2.gz YVXUFBDTNBTRBM-UHFFFAOYSA-N 1 0 296.436 2.159 10 0 CEAERO C[C@@H]1CCCC[N@@H+]1CCCNc1cc(C(N)=O)ccc1N ZINC000112787742 186532581 /nfs/dbraw/zinc/53/25/81/186532581.db2.gz WDOXGORONGDKDA-GFCCVEGCSA-N 1 0 290.411 2.044 10 0 CEAERO CN(C)c1ncc(C[NH2+]C2C3CC4CC(C3)CC2C4)n1C ZINC000070143327 363035009 /nfs/dbraw/zinc/03/50/09/363035009.db2.gz SSRRIDSWCLZQKK-UHFFFAOYSA-N 1 0 288.439 2.400 10 0 CEAERO CO[C@@H]1C[NH2+][C@](C)(c2nc(-c3ccsc3)no2)C1 ZINC000629689000 351472791 /nfs/dbraw/zinc/47/27/91/351472791.db2.gz XNMJKDAHKMFHGM-CABZTGNLSA-N 1 0 265.338 2.022 10 0 CEAERO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000120046874 186871587 /nfs/dbraw/zinc/87/15/87/186871587.db2.gz TZQDEFXRFZCIFS-AVGNSLFASA-N 1 0 273.442 2.368 10 0 CEAERO Fc1cc(F)cc(-c2cc(N3CCC[NH2+]CC3)n[nH]2)c1 ZINC000070460012 363086930 /nfs/dbraw/zinc/08/69/30/363086930.db2.gz AZYDRCVMITVBPL-UHFFFAOYSA-N 1 0 278.306 2.155 10 0 CEAERO Cc1cccc(-c2cc(N3CCC([NH3+])CC3)n[nH]2)c1 ZINC000070460107 363086969 /nfs/dbraw/zinc/08/69/69/363086969.db2.gz WVRJZGSWXSIAAY-UHFFFAOYSA-N 1 0 256.353 2.313 10 0 CEAERO CC(C)c1nc(-c2cccnc2)cc(N2CC[NH2+]CC2)n1 ZINC000070451677 363083945 /nfs/dbraw/zinc/08/39/45/363083945.db2.gz FQBOWHIEVPHEHF-UHFFFAOYSA-N 1 0 283.379 2.072 10 0 CEAERO COCc1cc(N2CC[NH2+]CC2)nc(-c2ccc(C)cc2)n1 ZINC000070451611 363084137 /nfs/dbraw/zinc/08/41/37/363084137.db2.gz ZZJDKAHJXLEMFR-UHFFFAOYSA-N 1 0 298.390 2.008 10 0 CEAERO Cc1nc(-c2cccc(F)c2)nc(N2CC[C@H]([NH3+])C2)c1C ZINC000070455815 363085067 /nfs/dbraw/zinc/08/50/67/363085067.db2.gz NWSHJLCYOVSLRK-AWEZNQCLSA-N 1 0 286.354 2.437 10 0 CEAERO Cc1cc(NC[C@@H]2CCC[NH2+]C2)nc(-c2ccncc2)n1 ZINC000070456263 363085108 /nfs/dbraw/zinc/08/51/08/363085108.db2.gz WNZOMNDVLNACFA-CYBMUJFWSA-N 1 0 283.379 2.259 10 0 CEAERO CO[C@@H]1CN(Cc2ccc(F)cc2Cl)[C@](C)(C[NH3+])C1 ZINC000630363888 351712940 /nfs/dbraw/zinc/71/29/40/351712940.db2.gz SRSPYTKXTDZAMW-JSGCOSHPSA-N 1 0 286.778 2.417 10 0 CEAERO CCc1ccc(CN2C[C@H](OC)C[C@]2(C)C[NH3+])cc1 ZINC000630366205 351713623 /nfs/dbraw/zinc/71/36/23/351713623.db2.gz UICQINMPYMVRFK-HZPDHXFCSA-N 1 0 262.397 2.187 10 0 CEAERO CO[C@@H]1CN(Cc2nc(C(C)(C)C)cs2)[C@](C)(C[NH3+])C1 ZINC000630369006 351714168 /nfs/dbraw/zinc/71/41/68/351714168.db2.gz VKYJSQBKCANRMX-NHYWBVRUSA-N 1 0 297.468 2.379 10 0 CEAERO CC(C)c1nsc(N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)n1 ZINC000630539740 351777917 /nfs/dbraw/zinc/77/79/17/351777917.db2.gz JJLYWZIYKRHMRJ-BETUJISGSA-N 1 0 266.414 2.097 10 0 CEAERO [NH3+][C@@H]1CCCCCN(c2ccc(C(F)(F)F)nn2)C1 ZINC000630550392 351781499 /nfs/dbraw/zinc/78/14/99/351781499.db2.gz UJEPUFLFRGRXGI-SECBINFHSA-N 1 0 274.290 2.203 10 0 CEAERO Cc1ccc(-c2cc(N3CC[C@@H]([NH3+])C3)n[nH]2)c(C)c1 ZINC000070460211 363088541 /nfs/dbraw/zinc/08/85/41/363088541.db2.gz PACVETQOWUHAIF-GFCCVEGCSA-N 1 0 256.353 2.231 10 0 CEAERO Cc1cc(Br)cnc1N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000630572744 351788827 /nfs/dbraw/zinc/78/88/27/351788827.db2.gz RYPCHWSLVICHLP-VHSXEESVSA-N 1 0 284.201 2.184 10 0 CEAERO C[C@@H](N[C@@H](C[NH+](C)C)c1ccccc1)c1cnccn1 ZINC000070477570 363089600 /nfs/dbraw/zinc/08/96/00/363089600.db2.gz PJGDNZZPARWNQD-CJNGLKHVSA-N 1 0 270.380 2.430 10 0 CEAERO Cc1cc(C(C)C)nc(NCCC2CC[NH2+]CC2)n1 ZINC000630516120 351768824 /nfs/dbraw/zinc/76/88/24/351768824.db2.gz DLTZTMLEZQSSPD-UHFFFAOYSA-N 1 0 262.401 2.132 10 0 CEAERO Cc1cccc(N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)n1 ZINC000630527119 351773275 /nfs/dbraw/zinc/77/32/75/351773275.db2.gz HUGHAXKUSJUSBK-GHMZBOCLSA-N 1 0 273.302 2.354 10 0 CEAERO Cc1cccc(N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)n1 ZINC000630527121 351773426 /nfs/dbraw/zinc/77/34/26/351773426.db2.gz HUGHAXKUSJUSBK-QWRGUYRKSA-N 1 0 273.302 2.354 10 0 CEAERO Cc1cccc(N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)n1 ZINC000630527120 351773450 /nfs/dbraw/zinc/77/34/50/351773450.db2.gz HUGHAXKUSJUSBK-MNOVXSKESA-N 1 0 273.302 2.354 10 0 CEAERO CC[C@@H]1[NH2+]CC[C@H]1Nc1ccccc1S(=O)(=O)CC ZINC000630527386 351773608 /nfs/dbraw/zinc/77/36/08/351773608.db2.gz JCXQGWWXHWZZOF-NWDGAFQWSA-N 1 0 282.409 2.033 10 0 CEAERO [NH3+][C@H]1CCC[C@H](C(=O)N(CC2CC2)CC2CC2)C1 ZINC000070505387 363093009 /nfs/dbraw/zinc/09/30/09/363093009.db2.gz OHZURUWTRJIXBL-KBPBESRZSA-N 1 0 250.386 2.153 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccc(F)cn2)C1 ZINC000122309564 187025752 /nfs/dbraw/zinc/02/57/52/187025752.db2.gz FKZFFZDXABVUAP-PWSUYJOCSA-N 1 0 280.347 2.071 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(F)ccc1O ZINC000124066312 187121053 /nfs/dbraw/zinc/12/10/53/187121053.db2.gz QSCBXRNLQMTJDJ-GFCCVEGCSA-N 1 0 280.343 2.088 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Cc1nc(C)sc1C ZINC000124193407 187126198 /nfs/dbraw/zinc/12/61/98/187126198.db2.gz YYFWIHGTOAICMS-CYBMUJFWSA-N 1 0 295.452 2.245 10 0 CEAERO C[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1)N1CCOCC1 ZINC000123401422 187089468 /nfs/dbraw/zinc/08/94/68/187089468.db2.gz UGEWEMIKKHLVHQ-NEPJUHHUSA-N 1 0 284.350 2.336 10 0 CEAERO C[C@H](C[NH2+][C@H](C)c1cccc(F)c1)N1CCOCC1 ZINC000123484296 187094974 /nfs/dbraw/zinc/09/49/74/187094974.db2.gz FIHMRCASGJCVLZ-CHWSQXEVSA-N 1 0 266.360 2.197 10 0 CEAERO CC[C@@](C)(O)C[NH+]1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000123600246 187100447 /nfs/dbraw/zinc/10/04/47/187100447.db2.gz BRFHINCBFGHCRC-OAHLLOKOSA-N 1 0 297.830 2.014 10 0 CEAERO CCc1cc2c(ncnc2N(C)[C@@H](C)C[NH3+])s1 ZINC000123764541 187107710 /nfs/dbraw/zinc/10/77/10/187107710.db2.gz PEUXJZGPNJFJMF-QMMMGPOBSA-N 1 0 250.371 2.037 10 0 CEAERO CC(=O)c1ccc(NC(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)cc1 ZINC000123935208 187115183 /nfs/dbraw/zinc/11/51/83/187115183.db2.gz PFZJBHZBXDEONU-NHYWBVRUSA-N 1 0 289.379 2.303 10 0 CEAERO COc1ccc(CN2CCC[C@H]2C[NH3+])cc1Cl ZINC000131353722 187559859 /nfs/dbraw/zinc/55/98/59/187559859.db2.gz VOYCIBLXKJOCBR-NSHDSACASA-N 1 0 254.761 2.272 10 0 CEAERO CCOc1cc(CN2C[C@H](C)[C@H]([NH+](C)C)C2)ccc1O ZINC000131468425 187567952 /nfs/dbraw/zinc/56/79/52/187567952.db2.gz FVMSARZHSHEAQB-GXTWGEPZSA-N 1 0 278.396 2.173 10 0 CEAERO [NH3+][C@@H]1CCCN(c2ccc(Br)cc2)C1 ZINC000070584580 363099497 /nfs/dbraw/zinc/09/94/97/363099497.db2.gz XNOMIDUMMMWUEZ-SNVBAGLBSA-N 1 0 255.159 2.377 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CC[NH2+][C@@H]1C)c1cc(F)ccc1F ZINC000092951663 539831458 /nfs/dbraw/zinc/83/14/58/539831458.db2.gz AMHZXHCTTBEKBD-WCABBAIRSA-N 1 0 268.307 2.140 10 0 CEAERO Cc1ccc(F)c(C(=O)N(C)C[C@H]2CC[N@H+](C)C2)c1 ZINC000071189351 363109165 /nfs/dbraw/zinc/10/91/65/363109165.db2.gz LRVMOZFUFMZWED-LBPRGKRZSA-N 1 0 264.344 2.158 10 0 CEAERO C[C@H](NC(=O)[C@H]1CCC[C@H]1C[NH3+])C1CCCCC1 ZINC000149486141 539880490 /nfs/dbraw/zinc/88/04/90/539880490.db2.gz FXKIWXMQCKTFJA-UBHSHLNASA-N 1 0 252.402 2.446 10 0 CEAERO C[C@H](NC(=O)CC1([NH3+])CCC1)c1ccc(F)cc1F ZINC000094293791 539874412 /nfs/dbraw/zinc/87/44/12/539874412.db2.gz BEQMYCVOBJOZQP-VIFPVBQESA-N 1 0 268.307 2.414 10 0 CEAERO Cc1cc(C(=O)NCC[C@H]2CCC[NH2+]C2)c(F)cc1F ZINC000135228706 187809323 /nfs/dbraw/zinc/80/93/23/187809323.db2.gz QPGCAZNGGYNRTC-LLVKDONJSA-N 1 0 282.334 2.393 10 0 CEAERO Cc1cc(C(=O)NCC[C@@H]2CCC[NH2+]C2)c(F)cc1F ZINC000135228685 187809443 /nfs/dbraw/zinc/80/94/43/187809443.db2.gz QPGCAZNGGYNRTC-NSHDSACASA-N 1 0 282.334 2.393 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@H]2CC[NH2+][C@H]2C)cc1F ZINC000251156175 539972329 /nfs/dbraw/zinc/97/23/29/539972329.db2.gz NTFCYJKTWDOWBE-GVXVVHGQSA-N 1 0 264.344 2.309 10 0 CEAERO O=C(N[C@H]1CCC[NH2+]C1)[C@H]1C[C@H]1C1CCCCC1 ZINC000261928953 295856226 /nfs/dbraw/zinc/85/62/26/295856226.db2.gz CGUMTLPVIMNASZ-IHRRRGAJSA-N 1 0 250.386 2.071 10 0 CEAERO CCc1onc(C)c1NC(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000154204856 188129260 /nfs/dbraw/zinc/12/92/60/188129260.db2.gz NMAONWLYFQPDFP-GFCCVEGCSA-N 1 0 294.399 2.493 10 0 CEAERO CC[C@@H]1CN(c2nccc(C(F)(F)F)n2)CC[C@H]1[NH3+] ZINC000251626089 539982567 /nfs/dbraw/zinc/98/25/67/539982567.db2.gz FFQOXCPZYQZLCX-RKDXNWHRSA-N 1 0 274.290 2.059 10 0 CEAERO C[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])[C@H]1C ZINC000251667333 539986334 /nfs/dbraw/zinc/98/63/34/539986334.db2.gz GHLWHHJRVPQBSE-ITGHMWBKSA-N 1 0 252.402 2.302 10 0 CEAERO COc1ccccc1CC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000155542551 188212671 /nfs/dbraw/zinc/21/26/71/188212671.db2.gz AIKUHXIPTKHUOL-ZFWWWQNUSA-N 1 0 290.407 2.083 10 0 CEAERO C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000251895459 539993492 /nfs/dbraw/zinc/99/34/92/539993492.db2.gz VXGNVUOUJXGOAO-XBFCOCLRSA-N 1 0 258.365 2.339 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)c2coc(-c3ccccc3)n2)C1 ZINC000158684680 188389012 /nfs/dbraw/zinc/38/90/12/188389012.db2.gz FKICXNHAJRSQQV-ZDUSSCGKSA-N 1 0 285.347 2.118 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc(Cl)ccn2)C1 ZINC000158867824 188397687 /nfs/dbraw/zinc/39/76/87/188397687.db2.gz MTCBLNHBHWPFTH-MFKMUULPSA-N 1 0 281.787 2.194 10 0 CEAERO Cc1csc([C@@H]2CN(CC[NH+]3CCCCC3)CCO2)n1 ZINC000132254066 366129310 /nfs/dbraw/zinc/12/93/10/366129310.db2.gz KMQVYLIWMMZJNQ-AWEZNQCLSA-N 1 0 295.452 2.311 10 0 CEAERO C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)C(C)(C)C ZINC000074201399 363309226 /nfs/dbraw/zinc/30/92/26/363309226.db2.gz UAEFKSCMFIIOFR-ZIAGYGMSSA-N 1 0 299.459 2.173 10 0 CEAERO CC(=O)N[C@H]1CCC[N@H+](CCSc2ccccc2)C1 ZINC000074350303 363327954 /nfs/dbraw/zinc/32/79/54/363327954.db2.gz GABYMFUEXYZWOY-AWEZNQCLSA-N 1 0 278.421 2.379 10 0 CEAERO CCOC(=O)CCCC[NH+]1CCC(c2ccnn2C)CC1 ZINC000132706959 366165209 /nfs/dbraw/zinc/16/52/09/366165209.db2.gz GZMDVERKRBOFLZ-UHFFFAOYSA-N 1 0 293.411 2.333 10 0 CEAERO CC[NH2+]CC[C@H](NC(=O)OC(C)(C)C)C(F)F ZINC000675051271 540064504 /nfs/dbraw/zinc/06/45/04/540064504.db2.gz OPGHSHUNFGGQQA-QMMMGPOBSA-N 1 0 252.305 2.144 10 0 CEAERO CCCC(=O)N([C@@H](CC[NH3+])C(F)(F)F)C1CC1 ZINC000675056220 540073387 /nfs/dbraw/zinc/07/33/87/540073387.db2.gz FHZCQDNQJBHRTJ-VIFPVBQESA-N 1 0 252.280 2.057 10 0 CEAERO Cc1cnc(CC[NH2+]C[C@@H](O)C(C)(C)C)c(C)c1 ZINC000401116707 540076396 /nfs/dbraw/zinc/07/63/96/540076396.db2.gz QBHVOJDESWFMPX-CQSZACIVSA-N 1 0 250.386 2.238 10 0 CEAERO CC(C)(C)OC(=O)N1CC(c2cncs2)=C[C@@H]([NH3+])C1 ZINC000675077562 540118571 /nfs/dbraw/zinc/11/85/71/540118571.db2.gz GCQOVOXRDGAXST-SNVBAGLBSA-N 1 0 281.381 2.105 10 0 CEAERO C[NH+](C)[C@H]1CCCN(CCOc2cncc(Cl)c2)C1 ZINC000675077030 540118637 /nfs/dbraw/zinc/11/86/37/540118637.db2.gz WIFLZKSVRZGDMQ-ZDUSSCGKSA-N 1 0 283.803 2.140 10 0 CEAERO C[C@H]1C[N@H+](C[C@@H]2CN(c3ccccc3)C(=O)O2)CCS1 ZINC000172781266 188826472 /nfs/dbraw/zinc/82/64/72/188826472.db2.gz GXVUWQAHZWQNMZ-GXTWGEPZSA-N 1 0 292.404 2.449 10 0 CEAERO Cn1nc(CC(C)(C)C)cc1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261821421 540153377 /nfs/dbraw/zinc/15/33/77/540153377.db2.gz SRXOHKNAUAOZSK-DGCLKSJQSA-N 1 0 292.427 2.322 10 0 CEAERO Cc1[nH]c2ccc(C(=O)N3CC[C@H]([NH3+])[C@H]3C)cc2c1C ZINC000383572663 540186005 /nfs/dbraw/zinc/18/60/05/540186005.db2.gz MYSTZZLDLDBYTK-RISCZKNCSA-N 1 0 271.364 2.346 10 0 CEAERO O=C1CCCN1c1cccc(N[C@H]2CCC[NH2+]CC2)c1 ZINC000133588098 366238392 /nfs/dbraw/zinc/23/83/92/366238392.db2.gz RWKSTYGIJHOZQD-ZDUSSCGKSA-N 1 0 273.380 2.367 10 0 CEAERO [NH3+]C[C@]12CCC[C@H]1CN(c1nnc(C(F)F)s1)C2 ZINC000385303849 540228825 /nfs/dbraw/zinc/22/88/25/540228825.db2.gz WMCLHPWILIPFQP-CPCISQLKSA-N 1 0 274.340 2.041 10 0 CEAERO C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H](O)C(C)(C)C ZINC000293662736 198722869 /nfs/dbraw/zinc/72/28/69/198722869.db2.gz PSMPRHZJVIRXAZ-BXUZGUMPSA-N 1 0 251.370 2.320 10 0 CEAERO O[C@@H](c1sccc1Br)[C@H]1CC[NH2+]C1 ZINC000575509184 366292470 /nfs/dbraw/zinc/29/24/70/366292470.db2.gz WBDNAVDDBXCSLH-POYBYMJQSA-N 1 0 262.172 2.154 10 0 CEAERO CCN(CC)c1ncc(C[NH2+][C@H]2CCO[C@@H]2C)s1 ZINC000134246090 366302825 /nfs/dbraw/zinc/30/28/25/366302825.db2.gz HGIHNUWONCEVLY-PWSUYJOCSA-N 1 0 269.414 2.256 10 0 CEAERO O[C@@H](c1sccc1Br)[C@@H]1CC[NH2+]C1 ZINC000575509180 366292817 /nfs/dbraw/zinc/29/28/17/366292817.db2.gz WBDNAVDDBXCSLH-HTRCEHHLSA-N 1 0 262.172 2.154 10 0 CEAERO CC(C)[C@@H](CNC(=O)N[C@H]1C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000076057510 363512693 /nfs/dbraw/zinc/51/26/93/363512693.db2.gz QZWAZIJUGMLJOB-SOUVJXGZSA-N 1 0 281.444 2.451 10 0 CEAERO COc1ccc2c(c1)[C@]13CC[NH2+][C@H](C2)[C@@H]1C[C@H](C)C(=O)C3 ZINC000078410026 363550379 /nfs/dbraw/zinc/55/03/79/363550379.db2.gz AWZYHKFGCYWRTD-MTYBJYJGSA-N 1 0 285.387 2.466 10 0 CEAERO CCc1cc(I)cc(OC)c1C[NH3+] ZINC000575725190 366347602 /nfs/dbraw/zinc/34/76/02/366347602.db2.gz HRWNESBZOMTIRG-UHFFFAOYSA-N 1 0 291.132 2.321 10 0 CEAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)c2ccnn2C2CCCC2)C1 ZINC000329023626 202158222 /nfs/dbraw/zinc/15/82/22/202158222.db2.gz UMEKYJNYIRQTFW-GXTWGEPZSA-N 1 0 290.411 2.211 10 0 CEAERO COC(=O)CC[N@@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000134824812 366362810 /nfs/dbraw/zinc/36/28/10/366362810.db2.gz VOVMOUZUSRUPBT-AWEZNQCLSA-N 1 0 293.338 2.426 10 0 CEAERO CCCCOC[C@H](O)C[NH2+][C@H](C)c1c(C)noc1C ZINC000227894200 538769006 /nfs/dbraw/zinc/76/90/06/538769006.db2.gz PVGCPGWXNJPHEH-ZWNOBZJWSA-N 1 0 270.373 2.120 10 0 CEAERO CS[C@@H]1CC[N@H+](C[C@](C)(O)c2ccccc2)C1 ZINC000294195142 198946412 /nfs/dbraw/zinc/94/64/12/198946412.db2.gz GMXPSRRJCXZMKB-KGLIPLIRSA-N 1 0 251.395 2.331 10 0 CEAERO CCCN(C[C@H]1CCC[NH2+]C1)[C@@H](CC)C(=O)OCC ZINC000233058028 283290179 /nfs/dbraw/zinc/29/01/79/283290179.db2.gz XVAPZIVIBMHUKH-KBPBESRZSA-N 1 0 270.417 2.040 10 0 CEAERO CC[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccsc1 ZINC000294420586 199033120 /nfs/dbraw/zinc/03/31/20/199033120.db2.gz OICAFRYQSGFHMW-QWHCGFSZSA-N 1 0 254.399 2.119 10 0 CEAERO Cc1cc(C[NH2+]CC2C[C@@H](C)O[C@H](C)C2)nn1C ZINC000414427877 236359746 /nfs/dbraw/zinc/35/97/46/236359746.db2.gz AFJOACPEZBSGPS-VXGBXAGGSA-N 1 0 251.374 2.022 10 0 CEAERO C[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)C[C@@H](C)C1 ZINC000252213956 291141132 /nfs/dbraw/zinc/14/11/32/291141132.db2.gz YUBJPROKYDOOGJ-MEBFFEOJSA-N 1 0 252.402 2.445 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000496576219 291152301 /nfs/dbraw/zinc/15/23/01/291152301.db2.gz AZENPCJETPFEHX-DMDPSCGWSA-N 1 0 284.400 2.009 10 0 CEAERO COC[C@H]([NH2+][C@H](C)C(=O)N[C@@H](C)c1ccccc1)C1CC1 ZINC000136666720 366519520 /nfs/dbraw/zinc/51/95/20/366519520.db2.gz RVOXUWTWKXEZQE-ZENOOKHLSA-N 1 0 290.407 2.267 10 0 CEAERO [NH3+]C1CCN(c2ccc(Br)cc2)CC1 ZINC000037483478 283415628 /nfs/dbraw/zinc/41/56/28/283415628.db2.gz MSRULTHBAHWIAW-UHFFFAOYSA-N 1 0 255.159 2.377 10 0 CEAERO O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000312695864 540460729 /nfs/dbraw/zinc/46/07/29/540460729.db2.gz FOVOLZHNXNVTGC-ZSBIGDGJSA-N 1 0 272.348 2.153 10 0 CEAERO Cc1cc(N2CCC[C@@H](Nc3cc[nH+]c(C)c3)C2=O)n(C)n1 ZINC000274950337 192854703 /nfs/dbraw/zinc/85/47/03/192854703.db2.gz VAWAQJBXBSUEFW-CQSZACIVSA-N 1 0 299.378 2.039 10 0 CEAERO CCC[C@@H](C(=O)NCc1ccc(C)c(OC)c1)[NH+](C)C ZINC000138220698 366552215 /nfs/dbraw/zinc/55/22/15/366552215.db2.gz GFPTUFWREGBTFI-AWEZNQCLSA-N 1 0 278.396 2.350 10 0 CEAERO CC[N@@H+]1CCC[C@H](Nc2nc(C(=O)OC)c(C)s2)C1 ZINC000137241660 366538456 /nfs/dbraw/zinc/53/84/56/366538456.db2.gz VHPZVPAZZCPUOB-JTQLQIEISA-N 1 0 283.397 2.134 10 0 CEAERO COc1ccc(F)c(NC(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000151904696 366673443 /nfs/dbraw/zinc/67/34/43/366673443.db2.gz IAQASPIIYIYUJT-JTQLQIEISA-N 1 0 281.331 2.002 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1oc(C)cc1C ZINC000177030930 189022612 /nfs/dbraw/zinc/02/26/12/189022612.db2.gz YAMNXNDHKFUJNT-CYBMUJFWSA-N 1 0 264.369 2.453 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccccc1COC ZINC000177040022 189023278 /nfs/dbraw/zinc/02/32/78/189023278.db2.gz VPKUDLCDXVSVMA-HNNXBMFYSA-N 1 0 290.407 2.389 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1nccc2ccccc21 ZINC000043513026 283556997 /nfs/dbraw/zinc/55/69/97/283556997.db2.gz GIXDLNAZFPWXDX-KGLIPLIRSA-N 1 0 269.348 2.235 10 0 CEAERO CSC[C@H](C)NC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000152019919 366682993 /nfs/dbraw/zinc/68/29/93/366682993.db2.gz CAPQIVSKQSNJQC-GXTWGEPZSA-N 1 0 295.452 2.340 10 0 CEAERO CCn1cc(NC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cn1 ZINC000178929541 189155359 /nfs/dbraw/zinc/15/53/59/189155359.db2.gz ADRIPVQBOKFRTD-CQSZACIVSA-N 1 0 293.415 2.145 10 0 CEAERO CCC[C@@H](C(=O)N(C)Cc1scnc1C)[NH+](C)C ZINC000179251581 189180582 /nfs/dbraw/zinc/18/05/82/189180582.db2.gz HCDXLFAJTOJIGX-NSHDSACASA-N 1 0 269.414 2.140 10 0 CEAERO c1nc2n(n1)C[C@@H]([NH2+][C@H](c1ccccc1)C1CC1)CC2 ZINC000180167399 189240773 /nfs/dbraw/zinc/24/07/73/189240773.db2.gz WKEXVGHOUWPUEX-GOEBONIOSA-N 1 0 268.364 2.334 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)c1ccc2ccccc2n1 ZINC000038049265 283621956 /nfs/dbraw/zinc/62/19/56/283621956.db2.gz FJINWBSYQZLHGJ-JSGCOSHPSA-N 1 0 269.348 2.235 10 0 CEAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H](C)c1ccccn1)CC2 ZINC000180505031 189259427 /nfs/dbraw/zinc/25/94/27/189259427.db2.gz CDGCGAQYDQBHPM-OLZOCXBDSA-N 1 0 285.395 2.462 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(OC)n1 ZINC000180827261 189277463 /nfs/dbraw/zinc/27/74/63/189277463.db2.gz WBHBGMPMXRNRBP-HUUCEWRRSA-N 1 0 275.396 2.149 10 0 CEAERO O[C@H](CNc1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000001564639 361208770 /nfs/dbraw/zinc/20/87/70/361208770.db2.gz QQMAANKESJRFDW-CYBMUJFWSA-N 1 0 254.761 2.209 10 0 CEAERO COc1ccc(C(=O)NCCCC[NH3+])c2ccccc12 ZINC000181057565 189287383 /nfs/dbraw/zinc/28/73/83/189287383.db2.gz KXUVAUVDTGOTHS-UHFFFAOYSA-N 1 0 272.348 2.317 10 0 CEAERO CCC(CC)C[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000153911067 366743597 /nfs/dbraw/zinc/74/35/97/366743597.db2.gz NBHGVSMVIBIFNU-CQSZACIVSA-N 1 0 251.374 2.020 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)N[C@@](C)(CC)c1nccs1 ZINC000236991768 370673854 /nfs/dbraw/zinc/67/38/54/370673854.db2.gz OMMPQGDUHSSAMU-SKDRFNHKSA-N 1 0 255.387 2.012 10 0 CEAERO Nc1c[nH+]ccc1N1CCN2c3ccccc3CC[C@@H]2C1 ZINC000005162682 361330081 /nfs/dbraw/zinc/33/00/81/361330081.db2.gz GUZOHLPBYOGINP-CQSZACIVSA-N 1 0 280.375 2.305 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccncc1C ZINC000182135224 189314902 /nfs/dbraw/zinc/31/49/02/189314902.db2.gz OHMLTSWYPJCXCT-UONOGXRCSA-N 1 0 288.395 2.481 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000082285412 363760599 /nfs/dbraw/zinc/76/05/99/363760599.db2.gz WIAHCZBAWGYPOQ-GFCCVEGCSA-N 1 0 252.745 2.116 10 0 CEAERO CC[C@@](C)(O)C[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000154523905 366777578 /nfs/dbraw/zinc/77/75/78/366777578.db2.gz KVCITUMBYWEKPY-SWLSCSKDSA-N 1 0 274.368 2.079 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@@H](C)c1cccc(F)c1F ZINC000182921216 189339665 /nfs/dbraw/zinc/33/96/65/189339665.db2.gz TXTPJFRGTPMIFQ-KWQFWETISA-N 1 0 256.296 2.269 10 0 CEAERO CCC(CC)[C@@H]1C[C@H](NC(=O)C2CC[NH2+]CC2)CCO1 ZINC000183086125 189346212 /nfs/dbraw/zinc/34/62/12/189346212.db2.gz XVXQCFUUJDIPDM-CABCVRRESA-N 1 0 282.428 2.086 10 0 CEAERO CC1CC[NH+](CCN2CC[C@@H](Oc3cccnc3)C2)CC1 ZINC000154666482 366783764 /nfs/dbraw/zinc/78/37/64/366783764.db2.gz UMJKTYYWFFHRCX-QGZVFWFLSA-N 1 0 289.423 2.267 10 0 CEAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N(C)C2)CC(C)(C)C1 ZINC000084063556 363796258 /nfs/dbraw/zinc/79/62/58/363796258.db2.gz JAWWGBIHBRVRTL-UPJWGTAASA-N 1 0 252.402 2.412 10 0 CEAERO COC[C@H](O)CCNc1cc[nH+]c2c(C)cccc12 ZINC000301869179 201239557 /nfs/dbraw/zinc/23/95/57/201239557.db2.gz GZCWCLCKZOYEEH-GFCCVEGCSA-N 1 0 260.337 2.353 10 0 CEAERO C[NH+](C)[C@H]1CC[C@H](Nc2ncc(Br)cn2)C1 ZINC000301915349 201260506 /nfs/dbraw/zinc/26/05/06/201260506.db2.gz GJWBECFOWMMDRD-UWVGGRQHSA-N 1 0 285.189 2.134 10 0 CEAERO CC(C)[NH2+]C[C@H](O)COc1c(O)ccc2ccccc21 ZINC000026840934 361646134 /nfs/dbraw/zinc/64/61/34/361646134.db2.gz HPONWSWGUSLIJB-ZDUSSCGKSA-N 1 0 275.348 2.283 10 0 CEAERO C[NH+](C)C1(COc2ccc(Br)nc2)CC1 ZINC000029126774 361680717 /nfs/dbraw/zinc/68/07/17/361680717.db2.gz PFGSFYLOWLHVNK-UHFFFAOYSA-N 1 0 271.158 2.317 10 0 CEAERO C[NH+](C)C1(COc2cncc(Br)c2)CC1 ZINC000029126775 361680883 /nfs/dbraw/zinc/68/08/83/361680883.db2.gz RIZABHXFZNUVNS-UHFFFAOYSA-N 1 0 271.158 2.317 10 0 in-vitro CEAERO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000087955054 363873128 /nfs/dbraw/zinc/87/31/28/363873128.db2.gz CUDZOFIZBJJJNX-VXGBXAGGSA-N 1 0 291.395 2.134 10 0 CEAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000089169435 363945656 /nfs/dbraw/zinc/94/56/56/363945656.db2.gz DRFJCUFYWMXZEK-BBRMVZONSA-N 1 0 271.364 2.123 10 0 CEAERO CCc1cc(NCc2ccc(C[NH3+])cc2)nc(C)n1 ZINC000088759961 363921188 /nfs/dbraw/zinc/92/11/88/363921188.db2.gz RIZNHYWKTBQICO-UHFFFAOYSA-N 1 0 256.353 2.418 10 0 CEAERO COC(=O)c1ccc(C)c(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089451865 363968298 /nfs/dbraw/zinc/96/82/98/363968298.db2.gz KOHRNCVOFYUYIV-CHWSQXEVSA-N 1 0 290.363 2.095 10 0 CEAERO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000090224785 364050393 /nfs/dbraw/zinc/05/03/93/364050393.db2.gz AEGWANMHQPDSTR-VXGBXAGGSA-N 1 0 278.400 2.357 10 0 CEAERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1ccc(F)cn1 ZINC000092751291 364104675 /nfs/dbraw/zinc/10/46/75/364104675.db2.gz VLWPTGQMPXMCEE-WDMOLILDSA-N 1 0 252.333 2.422 10 0 CEAERO Cc1nn(C)cc1C[N@@H+]1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000092813039 364109486 /nfs/dbraw/zinc/10/94/86/364109486.db2.gz BWIHZTLOGKCUMK-HNNXBMFYSA-N 1 0 299.422 2.366 10 0 CEAERO CCCC(=O)N[C@H]1CCC[N@H+](Cc2ncccc2C)C1 ZINC000093170421 364147462 /nfs/dbraw/zinc/14/74/62/364147462.db2.gz OTSWACAPLPPJDN-AWEZNQCLSA-N 1 0 275.396 2.271 10 0 CEAERO Cc1cc(O[C@H](C)C(=O)N2CCC[C@@H]2C[NH3+])ccc1Cl ZINC000237454577 370722866 /nfs/dbraw/zinc/72/28/66/370722866.db2.gz TUDNLAXKMZNBGC-VXGBXAGGSA-N 1 0 296.798 2.365 10 0 CEAERO CCC[C@H](C(=O)Nc1cccc(NC(=O)NC)c1)[NH+](C)C ZINC000093911054 364241946 /nfs/dbraw/zinc/24/19/46/364241946.db2.gz GLXIUPFEXUAIRM-CYBMUJFWSA-N 1 0 292.383 2.107 10 0 CEAERO CNc1ccccc1C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000094462960 364275295 /nfs/dbraw/zinc/27/52/95/364275295.db2.gz FBZNIZLZVAVEMG-QWHCGFSZSA-N 1 0 273.380 2.037 10 0 CEAERO C[C@@H]1C[NH2+]CCN1c1nc2ccccc2nc1Cl ZINC000095069583 364329949 /nfs/dbraw/zinc/32/99/49/364329949.db2.gz YGXLIFXMOYKPAJ-SECBINFHSA-N 1 0 262.744 2.081 10 0 CEAERO CCOc1nc2ccccc2nc1NC1CC[NH2+]CC1 ZINC000095069713 364329994 /nfs/dbraw/zinc/32/99/94/364329994.db2.gz AQXMNIAGLCVFKY-UHFFFAOYSA-N 1 0 272.352 2.192 10 0 CEAERO CCOc1nc2ccccc2nc1N(C)[C@H]1CCC[NH2+]C1 ZINC000095069667 364330266 /nfs/dbraw/zinc/33/02/66/364330266.db2.gz PQPVTIDPKGHFTD-LBPRGKRZSA-N 1 0 286.379 2.217 10 0 CEAERO CN(Cc1cnc(Cl)s1)C[C@@H]1CCC[NH2+]C1 ZINC000095071154 364330782 /nfs/dbraw/zinc/33/07/82/364330782.db2.gz GPNVZZQKVJDJFX-SECBINFHSA-N 1 0 259.806 2.228 10 0 CEAERO CNc1nc2ccccc2nc1NC[C@@H]1CCCC[NH2+]1 ZINC000095071387 364331386 /nfs/dbraw/zinc/33/13/86/364331386.db2.gz SLSPOEFAJJGDFV-NSHDSACASA-N 1 0 271.368 2.226 10 0 CEAERO CSc1nc(Cl)cc(NC[C@@H]2CCC[NH2+]2)n1 ZINC000095071771 364332287 /nfs/dbraw/zinc/33/22/87/364332287.db2.gz ATVIFYCFKVTQRV-ZETCQYMHSA-N 1 0 258.778 2.016 10 0 CEAERO C[NH2+]C1CCN(Cc2ccnc(Br)c2)CC1 ZINC000095071576 364332360 /nfs/dbraw/zinc/33/23/60/364332360.db2.gz DOFRZZIVMUDFJT-UHFFFAOYSA-N 1 0 284.201 2.028 10 0 CEAERO [NH3+]C[C@H]1CCCCN1Cc1cnc(Cl)nc1Cl ZINC000095072447 364332365 /nfs/dbraw/zinc/33/23/65/364332365.db2.gz IPQIODRMNMVMKO-SECBINFHSA-N 1 0 275.183 2.097 10 0 CEAERO C[NH2+][C@@]1(C)CCCN(C(=O)OCc2ccccc2)C1 ZINC000095075746 364333663 /nfs/dbraw/zinc/33/36/63/364333663.db2.gz UJTFTTVDFQSWOQ-HNNXBMFYSA-N 1 0 262.353 2.397 10 0 CEAERO CC(C)(C)OC(=O)N1CCCC[C@H]1[C@H](CCO)[NH2+]C1CC1 ZINC000095086197 364336132 /nfs/dbraw/zinc/33/61/32/364336132.db2.gz HTJWTDQXKSHSTP-KBPBESRZSA-N 1 0 298.427 2.279 10 0 CEAERO CC[NH2+][C@@H](CCO)[C@H]1CCCCN1Cc1ccccc1 ZINC000095091382 364337714 /nfs/dbraw/zinc/33/77/14/364337714.db2.gz NCKSHUQDCDWBCF-DLBZAZTESA-N 1 0 276.424 2.402 10 0 CEAERO [NH3+]C[C@H]1CC[C@H](c2nc(CCc3ccccc3)no2)O1 ZINC000094560892 364276952 /nfs/dbraw/zinc/27/69/52/364276952.db2.gz JKTLEDOGLCJYJQ-CHWSQXEVSA-N 1 0 273.336 2.034 10 0 CEAERO [NH3+]C[C@H]1CC[C@@H](c2nc(CCc3ccccc3)no2)O1 ZINC000094560891 364277127 /nfs/dbraw/zinc/27/71/27/364277127.db2.gz JKTLEDOGLCJYJQ-OLZOCXBDSA-N 1 0 273.336 2.034 10 0 CEAERO CCNC(=O)CC[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000094955649 364316335 /nfs/dbraw/zinc/31/63/35/364316335.db2.gz VUJLOQNNPIIFEF-NSHDSACASA-N 1 0 252.333 2.311 10 0 CEAERO C[C@@H]1CC[C@@H](C(=O)N2CC[N@H+](C)CC23CCCCC3)O1 ZINC000158372996 366855799 /nfs/dbraw/zinc/85/57/99/366855799.db2.gz FAEPQKLFHWRRLV-KGLIPLIRSA-N 1 0 280.412 2.031 10 0 CEAERO Cn1c2cc(F)ccc2nc1N1CCC2(C1)CC[NH2+]CC2 ZINC000335294217 364679534 /nfs/dbraw/zinc/67/95/34/364679534.db2.gz CIHOMJCZKSEXFT-UHFFFAOYSA-N 1 0 288.370 2.292 10 0 CEAERO Cc1c(F)cccc1C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000335413069 364703486 /nfs/dbraw/zinc/70/34/86/364703486.db2.gz IWPYXZQXMFCRCL-GXFFZTMASA-N 1 0 250.317 2.004 10 0 CEAERO Cc1cccc(OCC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000113233709 364878303 /nfs/dbraw/zinc/87/83/03/364878303.db2.gz KROAIQUXAXTZMZ-GJZGRUSLSA-N 1 0 288.391 2.069 10 0 CEAERO Cc1cccc(NC(=O)CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000113267631 364880104 /nfs/dbraw/zinc/88/01/04/364880104.db2.gz IFTRGXLPIIPGQS-HOCLYGCPSA-N 1 0 287.407 2.102 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cn2ccccc2n1 ZINC000113268606 364880613 /nfs/dbraw/zinc/88/06/13/364880613.db2.gz IYJCPEYXWJKYAA-UKRRQHHQSA-N 1 0 270.380 2.003 10 0 CEAERO C[C@@H]1CN(C(=O)c2ccc3sccc3c2)C[C@@H]1[NH3+] ZINC000335598861 212310818 /nfs/dbraw/zinc/31/08/18/212310818.db2.gz 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1 0 266.410 2.124 10 0 CEAERO CO[C@H](C)c1nc(CN2CC[N@@H+]3CCC[C@H]3C2)cs1 ZINC000245471179 370825174 /nfs/dbraw/zinc/82/51/74/370825174.db2.gz NPKFHWDZTMYHAF-YPMHNXCESA-N 1 0 281.425 2.131 10 0 CEAERO C[C@H](Oc1ccccc1Cl)C(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638892857 370825382 /nfs/dbraw/zinc/82/53/82/370825382.db2.gz YBSKQFHMNNATAN-SDDRHHMPSA-N 1 0 296.798 2.161 10 0 CEAERO Cc1scc(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)c1C ZINC000638901753 370830716 /nfs/dbraw/zinc/83/07/16/370830716.db2.gz WOVOCPSGOTYYSZ-KCJUWKMLSA-N 1 0 252.383 2.032 10 0 CEAERO C[C@H]1CN(C(=O)c2cscc2Cl)C[C@H]1C[NH3+] ZINC000638904601 370832550 /nfs/dbraw/zinc/83/25/50/370832550.db2.gz PFOZJELCDATFNK-JGVFFNPUSA-N 1 0 258.774 2.068 10 0 CEAERO C[C@H](O)C[N@@H+]1CCN(Cc2ccc([C@@H]3C[C@H]3C)o2)C[C@@H]1C ZINC000245698645 370860504 /nfs/dbraw/zinc/86/05/04/370860504.db2.gz CQWWZOJDGPHZNO-ORIJERBGSA-N 1 0 292.423 2.290 10 0 CEAERO CC[C@H](C(=O)N1CCC[C@H](c2nc(C)cs2)C1)[NH+](C)C ZINC000163788163 367264619 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ZINC000170865530 367436614 /nfs/dbraw/zinc/43/66/14/367436614.db2.gz AJCUFXMBARTXED-ZFWWWQNUSA-N 1 0 292.448 2.471 10 0 CEAERO C[C@H]1CN(Cc2ncc(-c3ccccc3)o2)C[C@@H]1C[NH3+] ZINC000631839228 367579492 /nfs/dbraw/zinc/57/94/92/367579492.db2.gz CCXJLSBKJLWIIE-JSGCOSHPSA-N 1 0 271.364 2.368 10 0 CEAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCC(C)(C)C ZINC000171613151 367577215 /nfs/dbraw/zinc/57/72/15/367577215.db2.gz YYUZJBNHPMBQTR-CQSZACIVSA-N 1 0 262.397 2.322 10 0 CEAERO CCc1noc([C@@H](C)N2CC[NH+]([C@H]3C=CCCC3)CC2)n1 ZINC000171746347 367608781 /nfs/dbraw/zinc/60/87/81/367608781.db2.gz DLWLITBFTHLFFE-KGLIPLIRSA-N 1 0 290.411 2.419 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1cccs1 ZINC000172057150 367664910 /nfs/dbraw/zinc/66/49/10/367664910.db2.gz KUJJXBVCJMLDQE-QWHCGFSZSA-N 1 0 278.421 2.376 10 0 CEAERO Cc1cccc(C[N@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1C ZINC000245759059 370869505 /nfs/dbraw/zinc/86/95/05/370869505.db2.gz PHZUSVSVDYAMJU-QAPCUYQASA-N 1 0 288.435 2.456 10 0 CEAERO 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IOAPRLJPKBDOEH-AWEZNQCLSA-N 1 0 291.395 2.157 10 0 CEAERO C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173922351 367960458 /nfs/dbraw/zinc/96/04/58/367960458.db2.gz DCGBWUANOMXCBN-OCCSQVGLSA-N 1 0 296.361 2.432 10 0 CEAERO CC(=O)c1ccccc1C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000174850142 368072136 /nfs/dbraw/zinc/07/21/36/368072136.db2.gz PSNBAGHQIJAYRT-GXTWGEPZSA-N 1 0 286.375 2.198 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1cccs1 ZINC000174980453 368085552 /nfs/dbraw/zinc/08/55/52/368085552.db2.gz HALOEYULCBYOPM-QWHCGFSZSA-N 1 0 278.421 2.376 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Cl)nc1 ZINC000174988895 368085725 /nfs/dbraw/zinc/08/57/25/368085725.db2.gz MQHZDINPKHAAIK-CHWSQXEVSA-N 1 0 293.798 2.434 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COc1ccccc1 ZINC000174980481 368086365 /nfs/dbraw/zinc/08/63/65/368086365.db2.gz NXXWUKIKFFCSNH-HUUCEWRRSA-N 1 0 288.391 2.151 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1nc(C)cs1 ZINC000176257175 368216988 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C[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1C[C@@H]1CC(C)(C)CO1 ZINC000639493467 371359009 /nfs/dbraw/zinc/35/90/09/371359009.db2.gz ZEWIFBSJNLFAJL-KFWWJZLASA-N 1 0 266.429 2.360 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2Cc3ccccc32)C1 ZINC000249760061 371359968 /nfs/dbraw/zinc/35/99/68/371359968.db2.gz KWZOLOKQLWOTHB-CABCVRRESA-N 1 0 287.407 2.110 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](C(=O)N[C@H]2CCCc3sccc32)C1 ZINC000250168736 371378930 /nfs/dbraw/zinc/37/89/30/371378930.db2.gz KZSXMDFPVZGYSL-FOGDFJRCSA-N 1 0 264.394 2.369 10 0 CEAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1CCC(=O)OC(C)(C)C ZINC000252892865 371488575 /nfs/dbraw/zinc/48/85/75/371488575.db2.gz OVAZRVCOITZEIH-KBPBESRZSA-N 1 0 282.428 2.277 10 0 CEAERO CCn1c(C)cc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1C ZINC000252443721 371437717 /nfs/dbraw/zinc/43/77/17/371437717.db2.gz NVXKUSUEBVBILB-UKRRQHHQSA-N 1 0 289.423 2.434 10 0 CEAERO CN1CC[C@@H](C[NH3+])[C@H]1c1sccc1Br ZINC000252721207 371472349 /nfs/dbraw/zinc/47/23/49/371472349.db2.gz NBMKBZCHEUOFEM-CBAPKCEASA-N 1 0 275.215 2.462 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+][C@H](C)CC[S@](C)=O)c1C ZINC000252732385 371474499 /nfs/dbraw/zinc/47/44/99/371474499.db2.gz UWONXLYTOYAMIZ-FDMGOTLNSA-N 1 0 285.457 2.328 10 0 CEAERO C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000253554667 371528757 /nfs/dbraw/zinc/52/87/57/371528757.db2.gz UOJAEENUWFIZGX-OLZOCXBDSA-N 1 0 298.390 2.176 10 0 CEAERO COC(=O)[C@@H]1C[N@H+](C)CC[C@H]1c1ccc(C)c(F)c1 ZINC000255003821 371546800 /nfs/dbraw/zinc/54/68/00/371546800.db2.gz BGDRSBWHWDRRJM-QWHCGFSZSA-N 1 0 265.328 2.342 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)/C=C\c1cncc(F)c1 ZINC000255284233 371571272 /nfs/dbraw/zinc/57/12/72/371571272.db2.gz SSRZGSBPXCCNCR-IDTUSYRASA-N 1 0 291.370 2.177 10 0 CEAERO C[NH2+]C1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000237129719 189865013 /nfs/dbraw/zinc/86/50/13/189865013.db2.gz XZBKYMIYTXCPLP-OLZOCXBDSA-N 1 0 294.345 2.279 10 0 CEAERO C[C@@H]1CCN(c2cncc(Br)c2)C[C@@H]1C[NH3+] ZINC000261590956 371666778 /nfs/dbraw/zinc/66/67/78/371666778.db2.gz UXMMMAZXZSXTJD-ZJUUUORDSA-N 1 0 284.201 2.265 10 0 CEAERO C[C@H](c1ccccc1)[C@H](C)NC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261604775 371675908 /nfs/dbraw/zinc/67/59/08/371675908.db2.gz ALDWTEILZICRKO-XEZPLFJOSA-N 1 0 290.407 2.049 10 0 CEAERO CN1CC[NH+]=C1Nc1cccc(Br)c1 ZINC000259412780 371625192 /nfs/dbraw/zinc/62/51/92/371625192.db2.gz ODZMIIYANGAVCD-UHFFFAOYSA-N 1 0 254.131 2.162 10 0 CEAERO [NH3+]CCN1CCC(c2ccc3ccccc3n2)CC1 ZINC000259288497 371625227 /nfs/dbraw/zinc/62/52/27/371625227.db2.gz FRRNGTVNXALGDX-UHFFFAOYSA-N 1 0 255.365 2.373 10 0 CEAERO [NH3+][C@@H]1CC[C@H]2CN(Cc3cc(F)c(F)c(F)c3)C[C@H]12 ZINC000261577954 371659193 /nfs/dbraw/zinc/65/91/93/371659193.db2.gz CZTKJRXKLSKJNJ-OUJBWJOFSA-N 1 0 270.298 2.273 10 0 CEAERO Cc1cnc(NC[C@@H]2[NH2+]CCc3ccccc32)nc1 ZINC000261580829 371661384 /nfs/dbraw/zinc/66/13/84/371661384.db2.gz FPFHASNJIXANPR-AWEZNQCLSA-N 1 0 254.337 2.084 10 0 CEAERO CCN(Cc1noc(CN)n1)Cc1ccc(Cl)cc1 ZINC000261741522 371716577 /nfs/dbraw/zinc/71/65/77/371716577.db2.gz MTVONIPGUKFPCB-UHFFFAOYSA-N 1 0 280.759 2.204 10 0 CEAERO CC(C)CC(=O)N[C@@H](c1nc(C2([NH3+])CCC2)no1)C(C)C ZINC000261638470 371688389 /nfs/dbraw/zinc/68/83/89/371688389.db2.gz AAWIAQYYCCPFQJ-GFCCVEGCSA-N 1 0 294.399 2.267 10 0 CEAERO C[C@H]1CN(Cc2coc(-c3ccc(F)cc3)n2)C[C@H]1[NH3+] ZINC000261659602 371696378 /nfs/dbraw/zinc/69/63/78/371696378.db2.gz YVUHGAKJDSJOML-IINYFYTJSA-N 1 0 275.327 2.260 10 0 CEAERO COc1cccc(N[C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261862726 371755323 /nfs/dbraw/zinc/75/53/23/371755323.db2.gz CIHBGTPRUUHIIE-ARFHVFGLSA-N 1 0 276.380 2.264 10 0 CEAERO Cc1ccsc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000261896790 371764627 /nfs/dbraw/zinc/76/46/27/371764627.db2.gz HGAGNEGVCWHQGN-BFHYXJOUSA-N 1 0 280.437 2.303 10 0 CEAERO CC(C)[C@H]1CCC[C@H](NC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000261913278 371768413 /nfs/dbraw/zinc/76/84/13/371768413.db2.gz JHLHUJFATZUDJB-KBPBESRZSA-N 1 0 282.428 2.073 10 0 CEAERO Cc1cc2cc(NC(=O)[C@H]([NH3+])C3CCOCC3)ccc2[nH]1 ZINC000261920242 371771193 /nfs/dbraw/zinc/77/11/93/371771193.db2.gz YOAAZKFSYYCXTI-OAHLLOKOSA-N 1 0 287.363 2.169 10 0 CEAERO CCCC[C@@H](CC)CNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261951789 371782711 /nfs/dbraw/zinc/78/27/11/371782711.db2.gz KDZHEQLQIHURHM-OCCSQVGLSA-N 1 0 270.417 2.073 10 0 CEAERO CC(C)(C)CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000261971523 371786510 /nfs/dbraw/zinc/78/65/10/371786510.db2.gz QPXZSIZSCQVZNL-MJBXVCDLSA-N 1 0 254.418 2.169 10 0 CEAERO C(CC1CCCC1)[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000261987318 371789149 /nfs/dbraw/zinc/78/91/49/371789149.db2.gz SIGNFRJPWBWRNE-ARFHVFGLSA-N 1 0 266.429 2.313 10 0 CEAERO CCN(C(=O)[C@H]([NH3+])COC)[C@H](C)c1cc2ccccc2o1 ZINC000262174615 371834698 /nfs/dbraw/zinc/83/46/98/371834698.db2.gz AZJKMKXQSKGJPF-DGCLKSJQSA-N 1 0 290.363 2.316 10 0 CEAERO CCOc1c(CN2C[C@@H](C)[C@@H]([NH3+])C2)c(C)nn1CC(C)C ZINC000262110991 371825486 /nfs/dbraw/zinc/82/54/86/371825486.db2.gz WKYCCGUHIVMIKX-DOMZBBRYSA-N 1 0 294.443 2.025 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]2CN(c3ccc(OC(F)F)cn3)C[C@@H]21 ZINC000262282756 371845603 /nfs/dbraw/zinc/84/56/03/371845603.db2.gz UYJIWVLBOLCIRQ-ADEWGFFLSA-N 1 0 283.322 2.247 10 0 CEAERO CC(C)(C)c1ccc(OCCN[C@H]2CC[NH2+]C2)cc1 ZINC000262287905 371847662 /nfs/dbraw/zinc/84/76/62/371847662.db2.gz ZVDQMPKGEIBYFJ-AWEZNQCLSA-N 1 0 262.397 2.314 10 0 CEAERO CC(C)(C[NH3+])NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000262513075 371872296 /nfs/dbraw/zinc/87/22/96/371872296.db2.gz PSJBYRRMKXZCIL-RYUDHWBXSA-N 1 0 266.772 2.297 10 0 CEAERO COC[C@@H]([NH3+])C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000262253552 371842179 /nfs/dbraw/zinc/84/21/79/371842179.db2.gz IUOAYVVMJKLWKD-SNVBAGLBSA-N 1 0 291.351 2.038 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+][C@@H]2C[C@H](C)CC[C@@H]2C)C1 ZINC000263524257 371941090 /nfs/dbraw/zinc/94/10/90/371941090.db2.gz SNRSGZRAJBCBOL-MMFDQKDXSA-N 1 0 282.428 2.338 10 0 CEAERO Cc1ccc(CC[C@@H](C)NC(=O)C2CC[NH2+]CC2)o1 ZINC000262717698 371900736 /nfs/dbraw/zinc/90/07/36/371900736.db2.gz WRTUPFMZEXARPP-LLVKDONJSA-N 1 0 264.369 2.025 10 0 CEAERO Cc1cc(C(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)cc(C)c1F ZINC000270700290 372908330 /nfs/dbraw/zinc/90/83/30/372908330.db2.gz ZABLSHPKWFVJPQ-GXTWGEPZSA-N 1 0 278.371 2.465 10 0 CEAERO CCCCc1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000643600466 373211546 /nfs/dbraw/zinc/21/15/46/373211546.db2.gz VFACIECIERMYEX-DOMZBBRYSA-N 1 0 260.381 2.448 10 0 CEAERO CC(C)Oc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC000643590015 373205366 /nfs/dbraw/zinc/20/53/66/373205366.db2.gz OYLIZJQISKGDRC-BXUZGUMPSA-N 1 0 262.353 2.036 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CCOc1cccc(Cl)c1 ZINC000643590741 373208095 /nfs/dbraw/zinc/20/80/95/373208095.db2.gz WXDSPHGFDZVPPK-MFKMUULPSA-N 1 0 282.771 2.057 10 0 CEAERO COCCC1(C(=O)NCc2sccc2C)CC[NH2+]CC1 ZINC000643628928 373227038 /nfs/dbraw/zinc/22/70/38/373227038.db2.gz AQFNYZWCQBYBAJ-UHFFFAOYSA-N 1 0 296.436 2.079 10 0 CEAERO COC[C@@]1(C(=O)N[C@@H](C)CCC(C)(C)C)CCC[NH2+]1 ZINC000643709718 373241425 /nfs/dbraw/zinc/24/14/25/373241425.db2.gz JGAOFUIAXHCLDB-SWLSCSKDSA-N 1 0 270.417 2.086 10 0 CEAERO C[C@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])C1)COCc1ccccc1 ZINC000246265118 189926169 /nfs/dbraw/zinc/92/61/69/189926169.db2.gz LJNIVZOFXJRZIZ-VNQPRFMTSA-N 1 0 290.407 2.083 10 0 CEAERO C[C@H](Oc1ccccc1Cl)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000246501466 189928910 /nfs/dbraw/zinc/92/89/10/189928910.db2.gz PWBYJIWCEHAVLB-GVXVVHGQSA-N 1 0 296.798 2.351 10 0 CEAERO C[C@H](Cc1ccccc1F)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000248833814 189953620 /nfs/dbraw/zinc/95/36/20/189953620.db2.gz CCEZYKMNTFOYFB-XUJVJEKNSA-N 1 0 278.371 2.261 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(OC)nc1 ZINC000251793321 189971758 /nfs/dbraw/zinc/97/17/58/189971758.db2.gz NRVATKGIFLEGGZ-GJZGRUSLSA-N 1 0 275.396 2.149 10 0 CEAERO CC1CC(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000573834181 299461065 /nfs/dbraw/zinc/46/10/65/299461065.db2.gz PAJPEYHURWWLKH-ABIUDSBCSA-N 1 0 258.365 2.036 10 0 CEAERO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](CO)C1CCCCC1 ZINC000386092744 375250913 /nfs/dbraw/zinc/25/09/13/375250913.db2.gz GJUCWTSXGUCKPI-ABAIWWIYSA-N 1 0 265.401 2.320 10 0 CEAERO Cc1sc2ncnc(N3C[C@@H]([NH3+])C[C@H]3C)c2c1C ZINC000385229418 375229725 /nfs/dbraw/zinc/22/97/25/375229725.db2.gz ITQJZJFGLNRVHL-XCBNKYQSSA-N 1 0 262.382 2.234 10 0 CEAERO CC[C@@H]([NH2+][C@@H]1CCN(CC)C1)c1ccc(F)cn1 ZINC000389240902 375300855 /nfs/dbraw/zinc/30/08/55/375300855.db2.gz KTGHOWVQPKFUBI-CHWSQXEVSA-N 1 0 251.349 2.356 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)N[C@H]1CC12CCCCC2 ZINC000387250389 375274298 /nfs/dbraw/zinc/27/42/98/375274298.db2.gz KBDQJYATALMWEH-STQMWFEESA-N 1 0 250.386 2.215 10 0 CEAERO CCS(=O)(=O)c1ccccc1N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000399001084 375354920 /nfs/dbraw/zinc/35/49/20/375354920.db2.gz CGXJBQBUPMEISP-NWDGAFQWSA-N 1 0 282.409 2.033 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1csc(C)c1C ZINC000399856759 375369997 /nfs/dbraw/zinc/36/99/97/375369997.db2.gz ODIXFLXYOXSWAY-PRHODGIISA-N 1 0 254.399 2.355 10 0 CEAERO COc1cccc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C)c1 ZINC000282379943 375470618 /nfs/dbraw/zinc/47/06/18/375470618.db2.gz OJMIWJINZRSMSC-COPLHBTASA-N 1 0 262.353 2.013 10 0 CEAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)c1ccc(F)cc1F ZINC000282460337 375489034 /nfs/dbraw/zinc/48/90/34/375489034.db2.gz TWKIKUBRHVZMLD-RVBZMBCESA-N 1 0 268.307 2.283 10 0 CEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc(F)ccc1Cl ZINC000282519106 375504992 /nfs/dbraw/zinc/50/49/92/375504992.db2.gz YATYJPQPDHWWMD-QPUJVOFHSA-N 1 0 270.735 2.236 10 0 CEAERO CCn1cc(C[NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C)cn1 ZINC000282929118 375617394 /nfs/dbraw/zinc/61/73/94/375617394.db2.gz WLESUXJNNUPXFG-GFCCVEGCSA-N 1 0 296.415 2.248 10 0 CEAERO C[C@@H]1C[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)[C@H](C)O1 ZINC000414294372 375826415 /nfs/dbraw/zinc/82/64/15/375826415.db2.gz ZHRDEWJOQPBADA-QQOHENMQSA-N 1 0 253.386 2.203 10 0 CEAERO [NH3+][C@@]1(c2ncc(Cl)cc2Br)CCOC1 ZINC000306550540 376549577 /nfs/dbraw/zinc/54/95/77/376549577.db2.gz FGEAHTAUQYQMFC-VIFPVBQESA-N 1 0 277.549 2.072 10 0 CEAERO [NH3+][C@H]1CCO[C@@H]1c1cc(F)cc(Br)c1 ZINC000306187302 376543241 /nfs/dbraw/zinc/54/32/41/376543241.db2.gz BTPYJGPGLPEECA-VHSXEESVSA-N 1 0 260.106 2.377 10 0 CEAERO CO[C@H]1C[C@H](CO)N(Cc2ccc(Cl)cc2F)C1 ZINC000311155596 376654205 /nfs/dbraw/zinc/65/42/05/376654205.db2.gz XBPJJQNMWSASHS-NEPJUHHUSA-N 1 0 273.735 2.061 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]CCn2ccnc2C)c1C ZINC000312730562 376727476 /nfs/dbraw/zinc/72/74/76/376727476.db2.gz JDMZIWCFIJGAGX-NSHDSACASA-N 1 0 275.400 2.376 10 0 CEAERO CC[C@@H]1CN2CCC[C@@H]2C[N@@H+]1C[C@](C)(CC)OC ZINC000322741882 376831539 /nfs/dbraw/zinc/83/15/39/376831539.db2.gz YQILBVPGJJVFEZ-KFWWJZLASA-N 1 0 254.418 2.360 10 0 CEAERO COCCCS[C@@H](C[NH3+])C(F)(F)C(F)(F)F ZINC000616568451 542153627 /nfs/dbraw/zinc/15/36/27/542153627.db2.gz AJDICCWVRSZLPB-LURJTMIESA-N 1 0 267.263 2.281 10 0 CEAERO CCN(Cc1cccc(F)c1)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000089744002 249308115 /nfs/dbraw/zinc/30/81/15/249308115.db2.gz KLMGYWYKVMTZOY-LBPRGKRZSA-N 1 0 264.344 2.174 10 0 CEAERO C[C@H]1[C@@H](O)CCC[N@@H+]1CCCOCc1ccccc1 ZINC000296326733 378492647 /nfs/dbraw/zinc/49/26/47/378492647.db2.gz QNMHRMBUBJRWRU-HOCLYGCPSA-N 1 0 263.381 2.439 10 0 CEAERO CC(C)[C@H]([NH2+]Cc1cc(F)cc(Cl)c1)C(N)=O ZINC000230226446 542240041 /nfs/dbraw/zinc/24/00/41/542240041.db2.gz JAWAZHPHZQWMKT-NSHDSACASA-N 1 0 258.724 2.079 10 0 CEAERO C[C@@H]1CN2CCCC[C@H]2C[N@@H+]1C[C@H](O)CC1CCCC1 ZINC000300147600 379153923 /nfs/dbraw/zinc/15/39/23/379153923.db2.gz DWODEYWWRNKPND-HYVNUMGLSA-N 1 0 280.456 2.486 10 0 CEAERO C[C@@](O)(C[N@@H+]1CCC2(C1)CCOCC2)c1ccccc1 ZINC000266574960 190267684 /nfs/dbraw/zinc/26/76/84/190267684.db2.gz QAWXZAQGTHDJEN-MRXNPFEDSA-N 1 0 275.392 2.397 10 0 CEAERO O=C(C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CCCCC1 ZINC000303041198 379482780 /nfs/dbraw/zinc/48/27/80/379482780.db2.gz OEJKJIGYCDPBED-CVEARBPZSA-N 1 0 294.439 2.014 10 0 CEAERO O=C(C1CCCCC1)N1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000305439132 379718175 /nfs/dbraw/zinc/71/81/75/379718175.db2.gz KZCLTDUKQWRPSB-HOTGVXAUSA-N 1 0 294.439 2.014 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)/C=C\C3CCCCC3)C[C@H]12 ZINC000493141339 380815625 /nfs/dbraw/zinc/81/56/25/380815625.db2.gz QFVCJIOOKBLQPQ-RXTGKTPZSA-N 1 0 262.397 2.319 10 0 CEAERO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C1CCCCC1)[C@@H]1CCCO1 ZINC000183170116 542287556 /nfs/dbraw/zinc/28/75/56/542287556.db2.gz PCCHYOAKNSPMBC-IPYPFGDCSA-N 1 0 282.428 2.323 10 0 CEAERO CNC(=O)[C@H]([NH2+]CCCOc1c(C)cccc1C)C(C)C ZINC000183686087 542293628 /nfs/dbraw/zinc/29/36/28/542293628.db2.gz BDDZACIBZNRRII-OAHLLOKOSA-N 1 0 292.423 2.433 10 0 CEAERO C[C@@H](CCNC(=O)N[C@@H](C)[C@@H]1CCCO1)[NH+]1CCCCC1 ZINC000184862939 542301635 /nfs/dbraw/zinc/30/16/35/542301635.db2.gz IPGRWZJADWCBPS-KKUMJFAQSA-N 1 0 297.443 2.118 10 0 CEAERO COc1ccc(C[N@H+](CCO)C2CCCC2)cc1N ZINC000042483825 184554595 /nfs/dbraw/zinc/55/45/95/184554595.db2.gz TUQKWBKEFUUFTK-UHFFFAOYSA-N 1 0 264.369 2.014 10 0 CEAERO COc1cccc(S[C@H]2CC3(CC[C@H]2[NH3+])OCCO3)c1 ZINC000081858285 184598120 /nfs/dbraw/zinc/59/81/20/184598120.db2.gz XNMMATCVUZJDDY-KGLIPLIRSA-N 1 0 295.404 2.410 10 0 CEAERO CC[NH2+][C@H](CO)CCN(CC)c1ccccc1C ZINC000085216118 184605220 /nfs/dbraw/zinc/60/52/20/184605220.db2.gz GCLVMALLXWIOHW-AWEZNQCLSA-N 1 0 250.386 2.182 10 0 CEAERO CC(C)[C@@H](C)NC(=O)COC1(C[NH3+])CCC(C)CC1 ZINC000086711423 184610565 /nfs/dbraw/zinc/61/05/65/184610565.db2.gz HFJKHMDRMDIABJ-JVWICGRDSA-N 1 0 270.417 2.071 10 0 CEAERO CCCCN(CC)S(=O)(=O)Cc1ccc(C[NH2+]C)cc1 ZINC000088916223 184614092 /nfs/dbraw/zinc/61/40/92/184614092.db2.gz RBIJWTOXSXWEKA-UHFFFAOYSA-N 1 0 298.452 2.358 10 0 CEAERO CC1(C)C(CNC(=O)c2csc(CC[NH3+])n2)C1(C)C ZINC000092817951 184628029 /nfs/dbraw/zinc/62/80/29/184628029.db2.gz WPLPXXPKMPFWAR-UHFFFAOYSA-N 1 0 281.425 2.056 10 0 CEAERO CS(=O)(=O)[C@@H]1CCC[C@]12CC[NH2+]C[C@@H]2c1ccccc1 ZINC000092695794 184621427 /nfs/dbraw/zinc/62/14/27/184621427.db2.gz DLRYWZDCAAOBOM-BZUAXINKSA-N 1 0 293.432 2.347 10 0 CEAERO O=C(Nc1ccc(F)cc1F)OC[C@@H]1CCC[NH2+]1 ZINC000092742951 184624124 /nfs/dbraw/zinc/62/41/24/184624124.db2.gz RMBPTPHPMCSPBM-VIFPVBQESA-N 1 0 256.252 2.265 10 0 CEAERO CCN(CC(C)(C)O)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000092984044 184640125 /nfs/dbraw/zinc/64/01/25/184640125.db2.gz ALVFWQKKRRNCQM-CQSZACIVSA-N 1 0 278.396 2.086 10 0 CEAERO Cc1cc2c(n1CCCC(=O)NC1CC1)CCC[C@@H]2[NH3+] ZINC000092997641 184641407 /nfs/dbraw/zinc/64/14/07/184641407.db2.gz UAFHHKKHECLNEE-AWEZNQCLSA-N 1 0 275.396 2.191 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CC[NH2+][C@@H]1C)c1ccc(F)cc1F ZINC000092951843 184636964 /nfs/dbraw/zinc/63/69/64/184636964.db2.gz ZTEZQPDQQIKJBN-VDDIYKPWSA-N 1 0 268.307 2.140 10 0 CEAERO C[C@H](CCNC(=O)[C@H]1CC[NH2+][C@@H]1C)c1ccccc1 ZINC000092956739 184637433 /nfs/dbraw/zinc/63/74/33/184637433.db2.gz SRLDCLMRUUJVEF-NFAWXSAZSA-N 1 0 260.381 2.294 10 0 CEAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(Cc1ccsc1)C1CC1 ZINC000092955498 184637522 /nfs/dbraw/zinc/63/75/22/184637522.db2.gz YMZWMHXEOQIPEB-GWCFXTLKSA-N 1 0 264.394 2.237 10 0 CEAERO CCC[NH2+][C@H](Cc1ncnn1C(C)C)C(OCC)OCC ZINC000093307630 184662129 /nfs/dbraw/zinc/66/21/29/184662129.db2.gz XPYTWSDMHSYEJL-CYBMUJFWSA-N 1 0 298.431 2.169 10 0 CEAERO COCC[N@@H+]1CCN([C@@H](C)c2cccc(OC)c2)C[C@@H]1C ZINC000175646458 532970906 /nfs/dbraw/zinc/97/09/06/532970906.db2.gz MIORRGKMWYPOKP-GJZGRUSLSA-N 1 0 292.423 2.409 10 0 CEAERO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](O)CC(C)(C)C1 ZINC000335399241 208369227 /nfs/dbraw/zinc/36/92/27/208369227.db2.gz IGVMXTKIVCNVTI-HUUCEWRRSA-N 1 0 296.455 2.259 10 0 CEAERO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](O)CC(C)(C)C1 ZINC000335399242 208369312 /nfs/dbraw/zinc/36/93/12/208369312.db2.gz IGVMXTKIVCNVTI-LSDHHAIUSA-N 1 0 296.455 2.259 10 0 CEAERO CCc1ccc([C@H](C)NC[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000289345232 197305320 /nfs/dbraw/zinc/30/53/20/197305320.db2.gz JXQCRCLSWQFZKE-SUMWQHHRSA-N 1 0 276.424 2.355 10 0 CEAERO C[C@@H]1C[C@H]([NH2+]CC(C)(C)NS(C)(=O)=O)CC(C)(C)C1 ZINC000104428876 542371481 /nfs/dbraw/zinc/37/14/81/542371481.db2.gz PBEDMJYDBDQWKX-NEPJUHHUSA-N 1 0 290.473 2.119 10 0 CEAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccccc1C1CC1 ZINC000392879472 542375264 /nfs/dbraw/zinc/37/52/64/542375264.db2.gz UREDBONNSCDIHK-IAQYHMDHSA-N 1 0 258.365 2.321 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(C)ccn1 ZINC000392906223 542375527 /nfs/dbraw/zinc/37/55/27/542375527.db2.gz UVHNNPRNXDEELW-HOTGVXAUSA-N 1 0 259.397 2.449 10 0 CEAERO CC[C@H](C)[C@H](N[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C(=O)OC ZINC000093489018 184683015 /nfs/dbraw/zinc/68/30/15/184683015.db2.gz DDJCSZWRIQHTGN-NPJQDHAYSA-N 1 0 296.455 2.475 10 0 CEAERO C[NH2+][C@@H](CN1C(=O)CC(C)CC1=O)c1ccc(C)cc1C ZINC000093356560 184666601 /nfs/dbraw/zinc/66/66/01/184666601.db2.gz SFZWXUAMMKURSI-HNNXBMFYSA-N 1 0 288.391 2.349 10 0 CEAERO CSCC[C@H]1C[NH+]=C(N)N1c1ccc(F)cc1 ZINC000093379313 184669303 /nfs/dbraw/zinc/66/93/03/184669303.db2.gz HHNNBXBQFYCVHG-NSHDSACASA-N 1 0 253.346 2.082 10 0 CEAERO CC[C@@H]1C[C@@]2(C[NH+]=C(N)N2Cc2cccs2)CCO1 ZINC000093392922 184670303 /nfs/dbraw/zinc/67/03/03/184670303.db2.gz ZJAGFCFZIHTJJQ-BXUZGUMPSA-N 1 0 279.409 2.206 10 0 CEAERO C[C@]1(c2cccnc2)CNC(=[NH2+])N1c1ccccc1F ZINC000093391283 184670458 /nfs/dbraw/zinc/67/04/58/184670458.db2.gz QRXMTFOARWPCJO-OAHLLOKOSA-N 1 0 270.311 2.271 10 0 CEAERO CCCCS(=O)(=O)[C@H]1C[C@H](CC)CC[C@@H]1[NH2+]C ZINC000081973874 177909318 /nfs/dbraw/zinc/90/93/18/177909318.db2.gz IPMDXKRLWWJSCA-AGIUHOORSA-N 1 0 261.431 2.368 10 0 CEAERO C[NH2+][C@H](C)CCCS(=O)(=O)c1ccc(C)cc1 ZINC000081920706 177893935 /nfs/dbraw/zinc/89/39/35/177893935.db2.gz XJXHCGCMGAVWNZ-GFCCVEGCSA-N 1 0 255.383 2.157 10 0 CEAERO C[NH2+][C@H]1CCC(C)(C)C[C@H]1Sc1nnc(C)n1C ZINC000081886351 177878134 /nfs/dbraw/zinc/87/81/34/177878134.db2.gz HPBVGEXFLORBGP-WDEREUQCSA-N 1 0 268.430 2.382 10 0 CEAERO CCC[NH2+][C@H](C)CSc1nnc2ccccn21 ZINC000081880985 177875343 /nfs/dbraw/zinc/87/53/43/177875343.db2.gz GJEJGGLTHQSZTI-SNVBAGLBSA-N 1 0 250.371 2.210 10 0 CEAERO CCCn1c(=O)[nH]nc1SCCCC[C@H](C)[NH2+]CC ZINC000081879134 177872650 /nfs/dbraw/zinc/87/26/50/177872650.db2.gz MBNAFCWLWNDLGL-NSHDSACASA-N 1 0 286.445 2.242 10 0 CEAERO CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)CC1C[NH2+]C1 ZINC000081747210 177852578 /nfs/dbraw/zinc/85/25/78/177852578.db2.gz DHFDXFLCTUZVCP-QWHCGFSZSA-N 1 0 252.402 2.317 10 0 CEAERO FC(F)(F)c1ccnc(OCC[C@@H]2CCC[NH2+]C2)n1 ZINC000081587593 177825319 /nfs/dbraw/zinc/82/53/19/177825319.db2.gz KJJZDCJHFSOIIU-VIFPVBQESA-N 1 0 275.274 2.264 10 0 CEAERO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCCC[NH2+]1 ZINC000081013162 177754571 /nfs/dbraw/zinc/75/45/71/177754571.db2.gz CAEHYKNHYATCBP-JTQLQIEISA-N 1 0 253.733 2.206 10 0 CEAERO O=C(N[C@@H]1CCOc2ccccc21)[C@@H]1CCCCC[NH2+]1 ZINC000080995201 177751132 /nfs/dbraw/zinc/75/11/32/177751132.db2.gz BMVGPFNSSNZJSR-KGLIPLIRSA-N 1 0 274.364 2.159 10 0 CEAERO CCC(CC)N(CCOC)C(=O)[C@@H]1CCCCC[NH2+]1 ZINC000080996382 177750710 /nfs/dbraw/zinc/75/07/10/177750710.db2.gz ONAOQKZGKRDDPW-AWEZNQCLSA-N 1 0 270.417 2.182 10 0 CEAERO CC[C@@](C)(C[NH3+])Nc1ccc(S(=O)(=O)CC)cc1 ZINC000080885376 177722828 /nfs/dbraw/zinc/72/28/28/177722828.db2.gz RXSAAUPBQXIJTC-ZDUSSCGKSA-N 1 0 270.398 2.020 10 0 CEAERO CC(C)C[NH2+]Cc1cccc2c1ccn2CC(=O)N(C)C ZINC000080354367 177644397 /nfs/dbraw/zinc/64/43/97/177644397.db2.gz BQQBGEPFZDEWMN-UHFFFAOYSA-N 1 0 287.407 2.475 10 0 CEAERO C[C@H](Cn1ccc2c1cccc2C[NH2+]C1CC1)C(N)=O ZINC000080337061 177643706 /nfs/dbraw/zinc/64/37/06/177643706.db2.gz KIBGNGMITCXNAR-LLVKDONJSA-N 1 0 271.364 2.015 10 0 CEAERO CC[C@]1(C(=O)N[C@@H](C)c2nccs2)CCC[NH2+]C1 ZINC000080269783 177634837 /nfs/dbraw/zinc/63/48/37/177634837.db2.gz FTNURTULKJYPQX-GWCFXTLKSA-N 1 0 267.398 2.100 10 0 CEAERO CC[C@@H](NC(=O)CC[C@H](C)CC[NH3+])c1nccs1 ZINC000080269151 177633891 /nfs/dbraw/zinc/63/38/91/177633891.db2.gz JDIYMFIEVZTUFS-WDEREUQCSA-N 1 0 269.414 2.476 10 0 CEAERO CCOC(=O)[C@@]1([NH3+])CC[C@@H](OCC2CCCC2)C1 ZINC000093848352 184732604 /nfs/dbraw/zinc/73/26/04/184732604.db2.gz LDRKTFFKYWBENP-TZMCWYRMSA-N 1 0 255.358 2.006 10 0 CEAERO OC[C@@]1([NH2+]C2CC2)CCC[C@H]1CCOCC1CCOCC1 ZINC000093619364 184696533 /nfs/dbraw/zinc/69/65/33/184696533.db2.gz YQHQDZMNEZKVEJ-RDJZCZTQSA-N 1 0 297.439 2.103 10 0 CEAERO CCC[NH2+][C@@]1(CO)CCC[C@H]1CCOC1CCC1 ZINC000093619292 184696897 /nfs/dbraw/zinc/69/68/97/184696897.db2.gz LUEJTLGUDDVZOJ-DZGCQCFKSA-N 1 0 255.402 2.476 10 0 CEAERO CCC(C)(C)OCC[C@@H]1CCC[C@]1([NH2+]C1CC1)C(N)=O ZINC000093619257 184697037 /nfs/dbraw/zinc/69/70/37/184697037.db2.gz GHJSALBJAXNYJO-BLLLJJGKSA-N 1 0 282.428 2.358 10 0 CEAERO C[NH2+][C@@H]1CCC[C@H]1CCS(=O)(=O)C1CCCC1 ZINC000093624025 184697609 /nfs/dbraw/zinc/69/76/09/184697609.db2.gz YVSUAEYYXVIRHU-WCQYABFASA-N 1 0 259.415 2.122 10 0 CEAERO [NH3+]C[C@@]1(O)CCC[C@H]1CCOc1cccc(F)c1F ZINC000093627473 184698554 /nfs/dbraw/zinc/69/85/54/184698554.db2.gz TVTCLWDGTWVTTQ-HZMBPMFUSA-N 1 0 271.307 2.224 10 0 CEAERO Cc1c([C@H]2CNC(=[NH2+])N2C2CCCCCC2)cnn1C ZINC000093653234 184702355 /nfs/dbraw/zinc/70/23/55/184702355.db2.gz WIMJYOGKEJQGCX-CQSZACIVSA-N 1 0 275.400 2.123 10 0 CEAERO CC[NH2+][C@H](Cc1nc([C@H](C)OC)no1)C(C)(C)C ZINC000093693363 184707102 /nfs/dbraw/zinc/70/71/02/184707102.db2.gz PJFXIYPUHHVBKX-VHSXEESVSA-N 1 0 255.362 2.344 10 0 CEAERO CCC[NH2+][C@H](Cc1cc(C)nn1CC)[C@@H](C)OC ZINC000093691939 184707669 /nfs/dbraw/zinc/70/76/69/184707669.db2.gz CJHFPIXVDGLHKE-TZMCWYRMSA-N 1 0 253.390 2.157 10 0 CEAERO CCC[NH2+]C[C@H](CC)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701430 184708033 /nfs/dbraw/zinc/70/80/33/184708033.db2.gz CDAFHMOOCFWZKE-ZIAGYGMSSA-N 1 0 290.473 2.074 10 0 CEAERO CCC[C@@H](C[NH2+]CC)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701368 184708093 /nfs/dbraw/zinc/70/80/93/184708093.db2.gz WSPROHFMSBDELS-KGLIPLIRSA-N 1 0 290.473 2.074 10 0 CEAERO C[NH2+][C@]1(CO)CCC[C@@H](Oc2ccc(F)cc2F)C1 ZINC000093785215 184721940 /nfs/dbraw/zinc/72/19/40/184721940.db2.gz CVRHPSHAVDEIOA-BXUZGUMPSA-N 1 0 271.307 2.237 10 0 CEAERO CC[NH2+][C@@H](c1ccc(Cl)c(OC)c1)[C@@H]1COCCO1 ZINC000094008768 184749582 /nfs/dbraw/zinc/74/95/82/184749582.db2.gz UTWOTLQMEIAXCH-KBPBESRZSA-N 1 0 285.771 2.415 10 0 CEAERO c1cc(-c2ccc(NCC3CC[NH2+]CC3)cc2)n[nH]1 ZINC000094010061 184749633 /nfs/dbraw/zinc/74/96/33/184749633.db2.gz ZHMMWLCAXHUGHG-UHFFFAOYSA-N 1 0 256.353 2.488 10 0 CEAERO CN(CC1CC[NH2+]CC1)C(=O)[C@H]1CCOc2ccccc21 ZINC000094021825 184750616 /nfs/dbraw/zinc/75/06/16/184750616.db2.gz JOMOELQQMGFSSD-HNNXBMFYSA-N 1 0 288.391 2.011 10 0 CEAERO CCC[NH2+][C@H](CCCS(C)(=O)=O)c1ccc(F)cn1 ZINC000094048068 184752510 /nfs/dbraw/zinc/75/25/10/184752510.db2.gz QPDMSWCVLXUQIK-GFCCVEGCSA-N 1 0 288.388 2.086 10 0 CEAERO CC[NH2+][C@@H](Cc1nccn1C)Cc1ccc(F)cc1 ZINC000094145227 184756408 /nfs/dbraw/zinc/75/64/08/184756408.db2.gz NUEOLQGWHKKGHB-CQSZACIVSA-N 1 0 261.344 2.323 10 0 CEAERO C[NH2+][C@@H](Cc1nc2ccccc2n1C)C1CCOCC1 ZINC000094171615 184759429 /nfs/dbraw/zinc/75/94/29/184759429.db2.gz JYLVBDMFUKRYNX-AWEZNQCLSA-N 1 0 273.380 2.130 10 0 CEAERO C[C@@H]1CC[C@H](C[NH3+])CN1C(=O)c1ccc(F)c(F)c1F ZINC000094185089 184760042 /nfs/dbraw/zinc/76/00/42/184760042.db2.gz YUKNGWCSCFJJJE-RKDXNWHRSA-N 1 0 286.297 2.303 10 0 CEAERO COC(=O)c1ccc(N[C@H]2CCC[C@@H]2C[NH3+])c(F)c1F ZINC000094272252 184774603 /nfs/dbraw/zinc/77/46/03/184774603.db2.gz MGCCMHVSCDLASH-SCZZXKLOSA-N 1 0 284.306 2.291 10 0 CEAERO CCC[NH2+][C@@H]1[C@H](Sc2nnnn2C)CCCC1(C)C ZINC000094283213 184774794 /nfs/dbraw/zinc/77/47/94/184774794.db2.gz FJWMABDLWKACSC-GHMZBOCLSA-N 1 0 283.445 2.249 10 0 CEAERO CC[NH2+][C@@H]1[C@H](SCC(=O)OC)CCCC1(C)C ZINC000094283093 184774979 /nfs/dbraw/zinc/77/49/79/184774979.db2.gz UZADNYXPFZFGAL-ZYHUDNBSSA-N 1 0 259.415 2.449 10 0 CEAERO CC(C)Oc1cccc(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000094345446 184786132 /nfs/dbraw/zinc/78/61/32/184786132.db2.gz PUIBMKQVFQRMGL-SWLSCSKDSA-N 1 0 276.380 2.202 10 0 CEAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000094345581 184786229 /nfs/dbraw/zinc/78/62/29/184786229.db2.gz QREYXCVVDBWYBO-QDCKZUPOSA-N 1 0 291.439 2.252 10 0 CEAERO C[C@@H]1C[NH2+]CC[C@H]1N1C(=O)CC2(CCCCC2)CC1=O ZINC000094345821 184786346 /nfs/dbraw/zinc/78/63/46/184786346.db2.gz DUVJUHBKUQODGP-CHWSQXEVSA-N 1 0 278.396 2.084 10 0 CEAERO Cc1cc(COc2c(F)cc(CC[NH3+])cc2F)on1 ZINC000094349758 184787049 /nfs/dbraw/zinc/78/70/49/184787049.db2.gz KVFNTLWLBCUMFJ-UHFFFAOYSA-N 1 0 268.263 2.341 10 0 CEAERO Nc1cccc2oc(NCC[NH+]3CCCCC3)nc21 ZINC000094353870 184787648 /nfs/dbraw/zinc/78/76/48/184787648.db2.gz LSNQRALHNYAPJH-UHFFFAOYSA-N 1 0 260.341 2.308 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCO[C@]2(CCOC2)C1)c1cccnc1 ZINC000094367571 184789633 /nfs/dbraw/zinc/78/96/33/184789633.db2.gz XLXMVKXYMAXYLC-BPLDGKMQSA-N 1 0 262.353 2.070 10 0 CEAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000094370391 184789982 /nfs/dbraw/zinc/78/99/82/184789982.db2.gz DEDPHVRDXLAYNZ-JKSUJKDBSA-N 1 0 298.471 2.281 10 0 CEAERO CC[NH+](CC)CCC(=O)[C@H]1CCOC2(CCOCC2)C1 ZINC000094394236 184792735 /nfs/dbraw/zinc/79/27/35/184792735.db2.gz GGMWIZJENMJLSE-AWEZNQCLSA-N 1 0 283.412 2.263 10 0 CEAERO CC[C@H]([NH3+])c1cnn([C@H]2CCOC3(CCOCC3)C2)c1 ZINC000094412410 184794337 /nfs/dbraw/zinc/79/43/37/184794337.db2.gz QJLHOIIHCBRNIL-KBPBESRZSA-N 1 0 279.384 2.194 10 0 CEAERO CC(C)([NH3+])c1cn([C@H]2CCOC3(CCSCC3)C2)nn1 ZINC000094411393 184794690 /nfs/dbraw/zinc/79/46/90/184794690.db2.gz WFPCHPVABKABCR-NSHDSACASA-N 1 0 296.440 2.089 10 0 CEAERO c1cnc2nc(N[C@@H]3CC[NH2+]C4(CCC4)C3)ccc2n1 ZINC000094726245 184847464 /nfs/dbraw/zinc/84/74/64/184847464.db2.gz GJBDMBQRSMIBQV-LLVKDONJSA-N 1 0 269.352 2.111 10 0 CEAERO [NH3+][C@H]1CCCCC[C@H]1C(=O)Nc1cccc(CO)c1 ZINC000094750607 184852325 /nfs/dbraw/zinc/85/23/25/184852325.db2.gz LOPVGNAHIITGLN-KGLIPLIRSA-N 1 0 262.353 2.025 10 0 CEAERO NC(=O)Nc1cccc(NC(=O)[C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000094750745 184852418 /nfs/dbraw/zinc/85/24/18/184852418.db2.gz MHPKKYWEJJBODY-CHWSQXEVSA-N 1 0 290.367 2.023 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(NC(=O)[C@]2(C)CCCO2)cc1 ZINC000094787515 184863807 /nfs/dbraw/zinc/86/38/07/184863807.db2.gz SDJCKMSNPSAMAR-NHYWBVRUSA-N 1 0 262.353 2.475 10 0 CEAERO C[C@]1(C[NH2+][C@@]2(CN)CCCCC2(C)C)CCCO1 ZINC000094799959 184867810 /nfs/dbraw/zinc/86/78/10/184867810.db2.gz FUCXWIPVLBRGBM-HUUCEWRRSA-N 1 0 254.418 2.443 10 0 CEAERO CCNC(=O)[C@H]1C[C@H](c2cccc(OC(C)C)c2)CC[NH2+]1 ZINC000094835897 184877425 /nfs/dbraw/zinc/87/74/25/184877425.db2.gz XKLLLEGFISKUIG-GDBMZVCRSA-N 1 0 290.407 2.446 10 0 CEAERO Cc1ncsc1CN(C)[C@@]1(C[NH3+])CS[C@@H](C)C1 ZINC000094473747 184807570 /nfs/dbraw/zinc/80/75/70/184807570.db2.gz QRUAZNDCDQNMMU-CABZTGNLSA-N 1 0 271.455 2.106 10 0 CEAERO C[C@H]1SCCC[C@@]12C[NH+]=C(N)N2Cc1ccccc1 ZINC000094481336 184808624 /nfs/dbraw/zinc/80/86/24/184808624.db2.gz WSMBBXJMRNWYQF-IUODEOHRSA-N 1 0 275.421 2.471 10 0 CEAERO [NH3+]C1(Cc2nc([C@@H]3CSCCO3)no2)CCCCC1 ZINC000094501261 184811000 /nfs/dbraw/zinc/81/10/00/184811000.db2.gz HEUVMEPUOJZNNA-JTQLQIEISA-N 1 0 283.397 2.078 10 0 CEAERO CCC[NH2+][C@@H](c1nccn1CC)[C@H]1CSCCO1 ZINC000094504583 184811677 /nfs/dbraw/zinc/81/16/77/184811677.db2.gz AMYAGTNFUFOFTB-VXGBXAGGSA-N 1 0 269.414 2.076 10 0 CEAERO CC[NH2+][C@H](Cc1cccc(OC)c1)[C@H]1CSCCO1 ZINC000094503532 184811845 /nfs/dbraw/zinc/81/18/45/184811845.db2.gz SDIIOERQNREHAU-HUUCEWRRSA-N 1 0 281.421 2.348 10 0 CEAERO Cc1cc(C(=O)N2C[C@@H](C)C[C@H]([NH3+])C2)c2ccccc2n1 ZINC000094548771 184815755 /nfs/dbraw/zinc/81/57/55/184815755.db2.gz XBBYZWSKJCXSFA-AAEUAGOBSA-N 1 0 283.375 2.353 10 0 CEAERO Cc1ccnc(-c2noc(-c3ccc(C[NH3+])o3)n2)c1 ZINC000094555417 184817853 /nfs/dbraw/zinc/81/78/53/184817853.db2.gz VEEFFTNIKNYEFX-UHFFFAOYSA-N 1 0 256.265 2.159 10 0 CEAERO [NH3+]C[C@@H]1CC[C@H](c2nc(C3CCCCC3)no2)O1 ZINC000094560778 184818060 /nfs/dbraw/zinc/81/80/60/184818060.db2.gz DZMVPAOQZCQAGD-WDEREUQCSA-N 1 0 251.330 2.296 10 0 CEAERO CC(=O)Nc1ccc(C)c(NC(=O)c2ccc(C[NH3+])o2)c1 ZINC000094565732 184819444 /nfs/dbraw/zinc/81/94/44/184819444.db2.gz VXAXCQKCTULGQV-UHFFFAOYSA-N 1 0 287.319 2.257 10 0 CEAERO Cc1ccc(-c2cnc([C@H](C)N3CC[NH2+]CC3)nc2)cc1 ZINC000094577317 184821798 /nfs/dbraw/zinc/82/17/98/184821798.db2.gz IVRHARCXXNTRIF-AWEZNQCLSA-N 1 0 282.391 2.418 10 0 CEAERO Clc1ccc2nc(N[C@@H]3CC[NH2+]C4(CCC4)C3)nn2c1 ZINC000094607405 184825769 /nfs/dbraw/zinc/82/57/69/184825769.db2.gz FUCMOLMYZPHOLN-LLVKDONJSA-N 1 0 291.786 2.469 10 0 CEAERO C[NH2+]Cc1cccc(O[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000094634456 184830360 /nfs/dbraw/zinc/83/03/60/184830360.db2.gz JCIISNPLLCCEIE-HUUCEWRRSA-N 1 0 297.420 2.141 10 0 CEAERO CC[C@]1([C@@H]2CCC[C@H](S(C)(=O)=O)C2)CCC[NH2+]1 ZINC000094642835 184832587 /nfs/dbraw/zinc/83/25/87/184832587.db2.gz PKVSXUUYLUEHHR-FRRDWIJNSA-N 1 0 259.415 2.122 10 0 CEAERO CCCOc1ccc(C[NH3+])c(O[C@@H](C)[C@@H](C)O)c1 ZINC000094652915 184834624 /nfs/dbraw/zinc/83/46/24/184834624.db2.gz ZXDZRMVDDUWDIR-MNOVXSKESA-N 1 0 253.342 2.082 10 0 CEAERO COc1ccc(C)cc1C(=O)N[C@@H]1CC[C@@H](C)[NH2+][C@@H]1C ZINC000094665312 184836668 /nfs/dbraw/zinc/83/66/68/184836668.db2.gz YPIIVNZZXCOXOY-YRGRVCCFSA-N 1 0 276.380 2.262 10 0 CEAERO [NH3+]Cc1cc2c(cc1OCc1cccc(O)c1)OCO2 ZINC000094692125 184840956 /nfs/dbraw/zinc/84/09/56/184840956.db2.gz UHAKJRFKBWUHMS-UHFFFAOYSA-N 1 0 273.288 2.159 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC000094722715 184846124 /nfs/dbraw/zinc/84/61/24/184846124.db2.gz HJAZAVJAJMPFEL-CYBMUJFWSA-N 1 0 284.400 2.012 10 0 CEAERO Cc1cc(C)cc(CS(=O)(=O)[C@@H]2CC[C@@H]([NH3+])C2)c1 ZINC000094719764 184846509 /nfs/dbraw/zinc/84/65/09/184846509.db2.gz SQRGVIULNRMAAE-ZIAGYGMSSA-N 1 0 267.394 2.098 10 0 CEAERO CCC[NH2+][C@H](Cc1nc(C)cs1)[C@H]1CN(CC)CCO1 ZINC000094974586 184909412 /nfs/dbraw/zinc/90/94/12/184909412.db2.gz IBQDQMUXJUKVKS-ZIAGYGMSSA-N 1 0 297.468 2.083 10 0 CEAERO CC[C@@]1(C)CN(Cc2nccs2)C(C)(C)C[NH2+]1 ZINC000094980137 184909836 /nfs/dbraw/zinc/90/98/36/184909836.db2.gz HHBOAEUEOBSVDW-ZDUSSCGKSA-N 1 0 253.415 2.496 10 0 CEAERO C[NH2+]Cc1cn(Cc2cccnc2OC)c2ncccc12 ZINC000095009689 184914115 /nfs/dbraw/zinc/91/41/15/184914115.db2.gz BVPCAMALQJYSGV-UHFFFAOYSA-N 1 0 282.347 2.208 10 0 CEAERO CC[C@@]1(C(=O)N(C)Cc2cccc(C)n2)CCC[NH2+]C1 ZINC000094915259 184893110 /nfs/dbraw/zinc/89/31/10/184893110.db2.gz JRHCKNOBBMHLOL-MRXNPFEDSA-N 1 0 275.396 2.128 10 0 CEAERO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(C)cc1N ZINC000094922398 184893878 /nfs/dbraw/zinc/89/38/78/184893878.db2.gz VZWWMAVDDPGXQZ-LBPRGKRZSA-N 1 0 263.385 2.037 10 0 CEAERO Cc1ccc(C(=O)NCC[NH+](C(C)C)C(C)C)c(NN)c1 ZINC000094924232 184894749 /nfs/dbraw/zinc/89/47/49/184894749.db2.gz LDTYCOGLBBCLGO-UHFFFAOYSA-N 1 0 292.427 2.129 10 0 CEAERO CC[C@@H](CC[NH3+])CNC(=O)c1cccc2ncccc21 ZINC000094961987 184906225 /nfs/dbraw/zinc/90/62/25/184906225.db2.gz HUWBTZQTGGWBFR-LBPRGKRZSA-N 1 0 271.364 2.340 10 0 CEAERO CC[C@@H](CC[NH3+])CNc1ncnc2ccsc21 ZINC000094962403 184906333 /nfs/dbraw/zinc/90/63/33/184906333.db2.gz GYQGDOGVABIOCN-VIFPVBQESA-N 1 0 250.371 2.478 10 0 CEAERO Cc1nc(C[C@@](C)(O)[C@@H]2CCC[NH2+]C2)sc1C ZINC000094970823 184907937 /nfs/dbraw/zinc/90/79/37/184907937.db2.gz GVLSQBZVDAOBNH-DGCLKSJQSA-N 1 0 254.399 2.053 10 0 CEAERO CCN(Cc1nccs1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000094969977 184908679 /nfs/dbraw/zinc/90/86/79/184908679.db2.gz DLKOBORLHFRQKT-FOSCPWQOSA-N 1 0 251.399 2.248 10 0 CEAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1csc(Cl)c1 ZINC000191353543 130224976 /nfs/dbraw/zinc/22/49/76/130224976.db2.gz XAENHSOLVZHJMG-ONGXEEELSA-N 1 0 274.817 2.383 10 0 CEAERO O=S1(=O)CC[C@H](C[NH2+][C@H]2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC000220729441 296491125 /nfs/dbraw/zinc/49/11/25/296491125.db2.gz IPBWOHPSWPQWNO-BARDWOONSA-N 1 0 285.453 2.370 10 0 CEAERO C[C@@H]1CCC[C@](CNC(=O)[C@H]2CCCO[C@H]2C)([NH+](C)C)C1 ZINC000253276310 296493516 /nfs/dbraw/zinc/49/35/16/296493516.db2.gz JTJZBKNIRJZMOG-AESZEHBQSA-N 1 0 296.455 2.428 10 0 CEAERO C[NH+](C)CC1CCN(c2cccc(F)c2N)CC1 ZINC000042393082 134888380 /nfs/dbraw/zinc/88/83/80/134888380.db2.gz NMEVNTZKSMYFSL-UHFFFAOYSA-N 1 0 251.349 2.186 10 0 CEAERO COc1ccc(OC)c(N2CCC[C@@H]([NH2+]C3CC3)C2)c1 ZINC000071197974 134961300 /nfs/dbraw/zinc/96/13/00/134961300.db2.gz DYPSONCEYPCFMB-CYBMUJFWSA-N 1 0 276.380 2.425 10 0 CEAERO CCC[C@H]1CN(c2cc(OC)cc(OC)c2)CC[NH2+]1 ZINC000086123013 135038629 /nfs/dbraw/zinc/03/86/29/135038629.db2.gz DASLJSCHCSBJQI-LBPRGKRZSA-N 1 0 264.369 2.282 10 0 CEAERO Cc1cc(Br)cnc1N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000086707132 135048325 /nfs/dbraw/zinc/04/83/25/135048325.db2.gz BWESVKOSGRAOEH-UWVGGRQHSA-N 1 0 284.201 2.339 10 0 CEAERO C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCCO2)c2ccccc21 ZINC000087203574 135049137 /nfs/dbraw/zinc/04/91/37/135049137.db2.gz PFLXDTHKLWWPKZ-JSGCOSHPSA-N 1 0 274.364 2.253 10 0 CEAERO CCC[C@H](C[NH3+])CN1CCN(c2ccccc2F)CC1 ZINC000087535427 135050823 /nfs/dbraw/zinc/05/08/23/135050823.db2.gz GCYBIVNPMURGLP-CQSZACIVSA-N 1 0 279.403 2.323 10 0 CEAERO CC[NH2+][C@@H](C)C1CCN(c2nc(C)cnc2C)CC1 ZINC000088057502 135052315 /nfs/dbraw/zinc/05/23/15/135052315.db2.gz OUEDFYKUWZYUJK-LBPRGKRZSA-N 1 0 262.401 2.308 10 0 CEAERO CCCOc1cncc(N2CC[NH2+]CC23CCCCC3)n1 ZINC000088396622 135054262 /nfs/dbraw/zinc/05/42/62/135054262.db2.gz JCUXDLJGGSNGSM-UHFFFAOYSA-N 1 0 290.411 2.378 10 0 CEAERO [NH3+]Cc1ccnc(N2CCC[C@H](C(F)(F)F)C2)c1 ZINC000088416193 135054304 /nfs/dbraw/zinc/05/43/04/135054304.db2.gz IJTGPRMLGJZYCD-JTQLQIEISA-N 1 0 259.275 2.319 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1Nc1ccccc1N1CCOCC1 ZINC000089142849 135058396 /nfs/dbraw/zinc/05/83/96/135058396.db2.gz HBVJDPYOLUOMFI-LSDHHAIUSA-N 1 0 289.423 2.453 10 0 CEAERO CN1CCN(C(=O)[C@@H]2CCCC[C@@H]2C[NH3+])c2ccccc21 ZINC000089399825 135059452 /nfs/dbraw/zinc/05/94/52/135059452.db2.gz GHLACLUHHNFLIE-ZIAGYGMSSA-N 1 0 287.407 2.235 10 0 CEAERO C[C@@H](C[NH3+])CSCC(=O)N1CCSc2ccccc21 ZINC000090351094 135062997 /nfs/dbraw/zinc/06/29/97/135062997.db2.gz VCYTYCYDNIGERU-NSHDSACASA-N 1 0 296.461 2.453 10 0 CEAERO CC(C)C[C@](C)(O)C[NH2+]C1CCN(c2ccccn2)CC1 ZINC000090270462 135063016 /nfs/dbraw/zinc/06/30/16/135063016.db2.gz XIBGZMXEBCMDDU-KRWDZBQOSA-N 1 0 291.439 2.437 10 0 CEAERO [NH3+]Cc1cc2ccccc2c(N2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000090907759 135066764 /nfs/dbraw/zinc/06/67/64/135066764.db2.gz LZRMQVKCCJYRQY-OKILXGFUSA-N 1 0 269.348 2.061 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(c2ccc3cc(N)ccc3n2)C1 ZINC000091395222 135069095 /nfs/dbraw/zinc/06/90/95/135069095.db2.gz YXNBXJOBQRFHLQ-CQSZACIVSA-N 1 0 270.380 2.347 10 0 CEAERO CC(C)[NH2+]Cc1cncc(N2CCO[C@H]3CCCC[C@@H]32)n1 ZINC000091420821 135069477 /nfs/dbraw/zinc/06/94/77/135069477.db2.gz VPYZVOAZQTZAGP-GJZGRUSLSA-N 1 0 290.411 2.122 10 0 CEAERO O=C1Nc2c[nH+]ccc2N2CCc3sccc3[C@H]12 ZINC000092513214 135076940 /nfs/dbraw/zinc/07/69/40/135076940.db2.gz GSZMPNRLISXSEV-GFCCVEGCSA-N 1 0 257.318 2.199 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](N2CCN(c3ccccc3Cl)CC2)C1 ZINC000093221046 135079582 /nfs/dbraw/zinc/07/95/82/135079582.db2.gz GWYNLDIHVTWIRB-CHWSQXEVSA-N 1 0 279.815 2.342 10 0 CEAERO CC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1O 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[NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1ccc2c(c1)CCCO2 ZINC000383805375 395187289 /nfs/dbraw/zinc/18/72/89/395187289.db2.gz JIWVEDFBADNGTN-GXTWGEPZSA-N 1 0 274.364 2.325 10 0 CEAERO Cc1cc(C)c(O)c(NC(=O)[C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000384255786 395191868 /nfs/dbraw/zinc/19/18/68/395191868.db2.gz OGVSTBWQRDSGNH-NEPJUHHUSA-N 1 0 262.353 2.336 10 0 CEAERO Cc1cccc([C@H](C)NC[C@H](O)C[N@H+](C)C2CC2)c1 ZINC000394063406 395203804 /nfs/dbraw/zinc/20/38/04/395203804.db2.gz RCEOXQCWTVLBKJ-BBRMVZONSA-N 1 0 262.397 2.101 10 0 CEAERO CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+][C@H]2C[C@H]2C)C1 ZINC000180638299 395205188 /nfs/dbraw/zinc/20/51/88/395205188.db2.gz SSBSOZKDKUVSSJ-YPMHNXCESA-N 1 0 297.395 2.036 10 0 CEAERO CN(CC[N@H+](C)C[C@@H]1CCCO1)Cc1ccc(F)cc1 ZINC000185191188 395278518 /nfs/dbraw/zinc/27/85/18/395278518.db2.gz QNLOTARIVXXNTL-INIZCTEOSA-N 1 0 280.387 2.368 10 0 CEAERO CC(C)(C)[C@H]1OCC[C@@H]1C[NH2+]CC1CCOCC1 ZINC000189237851 395325056 /nfs/dbraw/zinc/32/50/56/395325056.db2.gz FCZCLDKVZRVSCG-KGLIPLIRSA-N 1 0 255.402 2.454 10 0 CEAERO CCOCCN1CC[N@H+](C[C@@H]2CCC(C)(C)O2)C[C@@H]1CC ZINC000186971653 395296415 /nfs/dbraw/zinc/29/64/15/395296415.db2.gz AQJGJZRWWGZGEF-HOTGVXAUSA-N 1 0 298.471 2.377 10 0 CEAERO C[C@@H](C[NH2+][C@@H]1CCC12CCCC2)N1CCOCC1 ZINC000189051801 395324079 /nfs/dbraw/zinc/32/40/79/395324079.db2.gz KYFLLLFGGHQGRL-UONOGXRCSA-N 1 0 252.402 2.020 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@@H]1CCC=CO1 ZINC000191115263 395349399 /nfs/dbraw/zinc/34/93/99/395349399.db2.gz VQAQQBBUORJTJA-KFWWJZLASA-N 1 0 250.386 2.238 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc2cc(F)ccc2o1 ZINC000193595663 395411970 /nfs/dbraw/zinc/41/19/70/395411970.db2.gz DOVSSWMWUKNBAV-SKDRFNHKSA-N 1 0 276.311 2.442 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(C)cc2)C1 ZINC000194311068 395431559 /nfs/dbraw/zinc/43/15/59/395431559.db2.gz JANVJFFXKGVOAF-HNNXBMFYSA-N 1 0 275.396 2.279 10 0 CEAERO CC[C@](C)(O)C[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC000444577109 395436802 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400275031 /nfs/dbraw/zinc/27/50/31/400275031.db2.gz RPSNWBDPSUYADK-GFCCVEGCSA-N 1 0 267.417 2.158 10 0 CEAERO CC(C)([NH3+])[C@H](O)c1cccc(I)c1 ZINC000306347659 400332894 /nfs/dbraw/zinc/33/28/94/400332894.db2.gz FJUNLZVBNZVIQG-SECBINFHSA-N 1 0 291.132 2.062 10 0 CEAERO CC(C)[NH2+]CCC(=O)N[C@H](C)COCc1ccccc1 ZINC000390712102 400540754 /nfs/dbraw/zinc/54/07/54/400540754.db2.gz ARTUVDHKBBDDFI-CQSZACIVSA-N 1 0 278.396 2.096 10 0 CEAERO [NH3+][C@H]1COC[C@H]1Cc1cc(Br)cs1 ZINC000575468301 400610766 /nfs/dbraw/zinc/61/07/66/400610766.db2.gz QHFHIWCYLJSOPS-MUWHJKNJSA-N 1 0 262.172 2.027 10 0 CEAERO Fc1ccc(Cl)c(CN2CC[C@@H]3OCC[NH2+][C@H]3C2)c1 ZINC000404279997 289291929 /nfs/dbraw/zinc/29/19/29/289291929.db2.gz VBPWEHKDRAGOEC-KBPBESRZSA-N 1 0 284.762 2.042 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]CC2(CCOC)CC2)C12CCOCC2 ZINC000186424109 286279080 /nfs/dbraw/zinc/27/90/80/286279080.db2.gz UMWLOKIBAJRVNC-HUUCEWRRSA-N 1 0 297.439 2.367 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)CCCOC)C12CCOCC2 ZINC000248653663 286291777 /nfs/dbraw/zinc/29/17/77/286291777.db2.gz ZDBSRRDXPYDAQB-RBSFLKMASA-N 1 0 285.428 2.365 10 0 CEAERO CCO[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)CSC)C12CCCC2 ZINC000249446500 286333202 /nfs/dbraw/zinc/33/32/02/286333202.db2.gz LGYDMVMTBDOAPK-HZSPNIEDSA-N 1 0 287.469 2.380 10 0 CEAERO CC(C)(C)OC[C@H](O)C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000189170009 153082277 /nfs/dbraw/zinc/08/22/77/153082277.db2.gz JVLMIZXWKULINP-CABCVRRESA-N 1 0 285.428 2.053 10 0 CEAERO C[C@H](CNC(=O)[C@@H]1CCCO[C@H]1C)C[NH+]1CCCCC1 ZINC000189120044 153083799 /nfs/dbraw/zinc/08/37/99/153083799.db2.gz WBUONLCDTPQBKC-QLFBSQMISA-N 1 0 282.428 2.040 10 0 CEAERO Cc1cnn([C@@H]2CCC[N@H+](CCOCC(F)F)C2)c1 ZINC000189220786 153085388 /nfs/dbraw/zinc/08/53/88/153085388.db2.gz POSPBGKJJDEFQH-GFCCVEGCSA-N 1 0 273.327 2.110 10 0 CEAERO C[N@H+](C[C@H](O)CC1CCCC1)C[C@@H]1CCCC[C@@H]1O ZINC000191072220 153157671 /nfs/dbraw/zinc/15/76/71/153157671.db2.gz AXUKGSJUKYMTLM-XHSDSOJGSA-N 1 0 269.429 2.411 10 0 CEAERO CCn1cc([C@@H]2CN(CCC[NH+](CC)CC)CCO2)cn1 ZINC000191896490 153196846 /nfs/dbraw/zinc/19/68/46/153196846.db2.gz MZOLHTDCZZKOPD-INIZCTEOSA-N 1 0 294.443 2.008 10 0 CEAERO CCC(CC)NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000193725240 153241067 /nfs/dbraw/zinc/24/10/67/153241067.db2.gz ZTGYCPJVMZYYCG-CYBMUJFWSA-N 1 0 253.390 2.055 10 0 CEAERO O=C(COc1ccc(Cl)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195314947 153279977 /nfs/dbraw/zinc/27/99/77/153279977.db2.gz LRECNMHWTIWTOO-ZDUSSCGKSA-N 1 0 294.782 2.025 10 0 CEAERO O=C(CCc1ccc(F)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195318475 153281528 /nfs/dbraw/zinc/28/15/28/153281528.db2.gz WJMWLXGHZYAWRE-HNNXBMFYSA-N 1 0 276.355 2.065 10 0 CEAERO O=C(c1ccc2c(c1)CCCC2)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195319508 153281633 /nfs/dbraw/zinc/28/16/33/153281633.db2.gz ABICMMWCPHVDNW-KRWDZBQOSA-N 1 0 284.403 2.486 10 0 CEAERO CC(C)Cc1nc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cs1 ZINC000195339331 153288142 /nfs/dbraw/zinc/28/81/42/153288142.db2.gz IMZPSSWWGHKXBH-GFCCVEGCSA-N 1 0 293.436 2.262 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(CC)C2)C1(C)C ZINC000223442177 153317260 /nfs/dbraw/zinc/31/72/60/153317260.db2.gz GXHIUYHMCXDKLT-HZSPNIEDSA-N 1 0 254.418 2.264 10 0 CEAERO CC(C)(C)OC[C@@H](O)C[NH2+]C(C)(C)c1nccs1 ZINC000227911718 153355122 /nfs/dbraw/zinc/35/51/22/153355122.db2.gz AMOYPVHGOONRFR-JTQLQIEISA-N 1 0 272.414 2.144 10 0 CEAERO Cc1cnc([C@H](C)N[C@H](C)C(=O)NCCC(C)C)o1 ZINC000230643486 153394824 /nfs/dbraw/zinc/39/48/24/153394824.db2.gz VKKICSYSBBLXBS-NEPJUHHUSA-N 1 0 267.373 2.184 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]CCN2CCCCC2)C12CCOCC2 ZINC000186230129 286386580 /nfs/dbraw/zinc/38/65/80/286386580.db2.gz VAKVSHNZSWGLCD-JKSUJKDBSA-N 1 0 296.455 2.036 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN2CC)C12CCOCC2 ZINC000248991323 286388967 /nfs/dbraw/zinc/38/89/67/286388967.db2.gz LDMACCLWVDYODW-HRCADAONSA-N 1 0 296.455 2.035 10 0 CEAERO CO[C@H](C)c1nsc(NC[C@@]2(C)CCC[NH2+]C2)n1 ZINC000261559563 153760864 /nfs/dbraw/zinc/76/08/64/153760864.db2.gz DSNWPDRGEJUIPK-SKDRFNHKSA-N 1 0 270.402 2.047 10 0 CEAERO COc1cc(C)ccc1NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000261581198 153773103 /nfs/dbraw/zinc/77/31/03/153773103.db2.gz FXPXBXPVDUFKMA-GFCCVEGCSA-N 1 0 262.353 2.474 10 0 CEAERO Cc1ccnc(NC[C@H]2[NH2+]CCc3ccccc32)n1 ZINC000261633224 153794570 /nfs/dbraw/zinc/79/45/70/153794570.db2.gz WDTHANWMUUVTLL-CQSZACIVSA-N 1 0 254.337 2.084 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)[C@H](C)c1cc2ccccc2o1 ZINC000261833377 153852010 /nfs/dbraw/zinc/85/20/10/153852010.db2.gz VNJKTQOZRJSFFY-WDEREUQCSA-N 1 0 260.337 2.260 10 0 CEAERO C[NH2+]C[C@@H]1CCN(Cc2cnc(C(F)(F)F)s2)C1 ZINC000261914597 153874003 /nfs/dbraw/zinc/87/40/03/153874003.db2.gz JQEDNARILQRBKW-QMMMGPOBSA-N 1 0 279.331 2.203 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)NC2CCC(C)(C)CC2)C1 ZINC000173912592 289382806 /nfs/dbraw/zinc/38/28/06/289382806.db2.gz WCXMXSQLWGONBA-ZDUSSCGKSA-N 1 0 267.417 2.301 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(-c2ncon2)cc1 ZINC000262650217 153970980 /nfs/dbraw/zinc/97/09/80/153970980.db2.gz WSYVMKBBAMTVHW-BXKDBHETSA-N 1 0 274.324 2.049 10 0 CEAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1ccc(-c2ccccc2)cc1 ZINC000263118156 154020676 /nfs/dbraw/zinc/02/06/76/154020676.db2.gz ASZXETSAWATWSX-ROUUACIJSA-N 1 0 282.387 2.024 10 0 CEAERO C[C@@H](CC1CCCC1)c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263166148 154026829 /nfs/dbraw/zinc/02/68/29/154026829.db2.gz FFDCCQMKOORAFX-WCQYABFASA-N 1 0 278.400 2.330 10 0 CEAERO C[C@H](CC(C)(C)c1ccccc1)NC(=O)C1C[NH2+]C1 ZINC000263280704 154047165 /nfs/dbraw/zinc/04/71/65/154047165.db2.gz JNTBOFPDNDHLHG-GFCCVEGCSA-N 1 0 260.381 2.078 10 0 CEAERO C[C@@H](CC(C)(C)c1ccccc1)NC(=O)C1C[NH2+]C1 ZINC000263280708 154048147 /nfs/dbraw/zinc/04/81/47/154048147.db2.gz JNTBOFPDNDHLHG-LBPRGKRZSA-N 1 0 260.381 2.078 10 0 CEAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2cc(F)cc(Cl)c2)n1 ZINC000263274229 154048243 /nfs/dbraw/zinc/04/82/43/154048243.db2.gz SPIOHLZUAUBLGV-LLVKDONJSA-N 1 0 296.733 2.105 10 0 CEAERO CC(C)Oc1ccc(CC[C@H](C)NC(=O)C2C[NH2+]C2)cc1 ZINC000263305066 154052573 /nfs/dbraw/zinc/05/25/73/154052573.db2.gz ODUOVIWUNBBHGY-ZDUSSCGKSA-N 1 0 290.407 2.131 10 0 CEAERO CC(C)(CNC(=O)C1C[NH2+]C1)c1ccc(F)cc1Cl ZINC000263333855 154057940 /nfs/dbraw/zinc/05/79/40/154057940.db2.gz VSWUYYZBGRQPFY-UHFFFAOYSA-N 1 0 284.762 2.092 10 0 CEAERO C[N@H+](Cc1cnn(-c2ccccc2)c1)[C@@H]1CCC[C@@H]1O ZINC000352661002 154326217 /nfs/dbraw/zinc/32/62/17/154326217.db2.gz QBHYGMOVFNRECL-CVEARBPZSA-N 1 0 271.364 2.218 10 0 CEAERO C[N@H+](CCCOc1ccc(F)cc1)[C@H]1CCC[C@@H]1O ZINC000352659188 154328461 /nfs/dbraw/zinc/32/84/61/154328461.db2.gz MFSNCDWNMQIKJJ-GJZGRUSLSA-N 1 0 267.344 2.440 10 0 CEAERO C[C@@H]1COCC[C@H]1[NH2+][C@@H](CCO)C1CCCCC1 ZINC000195063840 297145617 /nfs/dbraw/zinc/14/56/17/297145617.db2.gz DJZZTZUZENGHDD-YUELXQCFSA-N 1 0 255.402 2.332 10 0 CEAERO C[C@H]([NH3+])C1CCN(c2ccncc2Br)CC1 ZINC000159900761 162319596 /nfs/dbraw/zinc/31/95/96/162319596.db2.gz PORAWTJLIPHOBM-VIFPVBQESA-N 1 0 284.201 2.408 10 0 CEAERO CCn1cnnc1[C@H]1CCC[N@H+](CCCOC(C)C)C1 ZINC000171501123 165047580 /nfs/dbraw/zinc/04/75/80/165047580.db2.gz ITAMSXZVWZFWRZ-AWEZNQCLSA-N 1 0 280.416 2.293 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CC=CCC1 ZINC000175091726 165125377 /nfs/dbraw/zinc/12/53/77/165125377.db2.gz GQKBOIXLJHFNDJ-RRFJBIMHSA-N 1 0 277.412 2.363 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1ccoc1 ZINC000177323030 165197124 /nfs/dbraw/zinc/19/71/24/165197124.db2.gz SUHXWVLLSNNCSJ-LSDHHAIUSA-N 1 0 276.380 2.297 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCCC2(C)C)C1 ZINC000177437573 165199398 /nfs/dbraw/zinc/19/93/98/165199398.db2.gz KIAXSCRQAQBROU-QWHCGFSZSA-N 1 0 267.417 2.349 10 0 CEAERO C[C@H]([NH3+])CCNC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000178646632 165250729 /nfs/dbraw/zinc/25/07/29/165250729.db2.gz UUCXMLVSKXYGOV-BIMULSAOSA-N 1 0 266.772 2.297 10 0 CEAERO O=C(Nc1ccc2c(c1)COC2)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000179413980 165280054 /nfs/dbraw/zinc/28/00/54/165280054.db2.gz QSPOCRGDAFLNIX-HNNXBMFYSA-N 1 0 287.363 2.029 10 0 CEAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccoc1)CC2 ZINC000180623823 165317026 /nfs/dbraw/zinc/31/70/26/165317026.db2.gz YWMZHWZMDWPVPS-CMPLNLGQSA-N 1 0 260.341 2.099 10 0 CEAERO CC(C)n1nnnc1C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000181556518 165348137 /nfs/dbraw/zinc/34/81/37/165348137.db2.gz UARACFWTBASXCQ-HNNXBMFYSA-N 1 0 285.395 2.365 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(O)c1 ZINC000182075172 165363815 /nfs/dbraw/zinc/36/38/15/165363815.db2.gz UVJSHJRWQUXCKZ-LSDHHAIUSA-N 1 0 260.381 2.451 10 0 CEAERO CSCCCCCCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000182191784 165367159 /nfs/dbraw/zinc/36/71/59/165367159.db2.gz CNFHUSYJCIVQRT-CQSZACIVSA-N 1 0 299.484 2.399 10 0 CEAERO CC(C)c1cnc(CN2CCO[C@H](C[NH+](C)C)C2)s1 ZINC000182933712 165379895 /nfs/dbraw/zinc/37/98/95/165379895.db2.gz QCNCAIISBMDBCR-GFCCVEGCSA-N 1 0 283.441 2.029 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H](C)C1CCOCC1 ZINC000245918414 287227685 /nfs/dbraw/zinc/22/76/85/287227685.db2.gz OEZXYXHIAIGURP-IMJJTQAJSA-N 1 0 294.439 2.134 10 0 CEAERO COc1cc(Br)c(C[C@H](C)[NH3+])cc1OC ZINC000006020969 170169290 /nfs/dbraw/zinc/16/92/90/170169290.db2.gz JPDVAVONMYSOMF-ZETCQYMHSA-N 1 0 274.158 2.356 10 0 CEAERO CC(=O)c1c[nH]c(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1 ZINC000007818273 170304271 /nfs/dbraw/zinc/30/42/71/170304271.db2.gz VYEBSIPXNGXWNA-MRXNPFEDSA-N 1 0 299.374 2.250 10 0 CEAERO [NH3+]C[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000019504617 170816898 /nfs/dbraw/zinc/81/68/98/170816898.db2.gz ONCSJXKPLDFQLG-SECBINFHSA-N 1 0 260.259 2.370 10 0 CEAERO [NH3+]CCSCc1cc(Cl)cc2c1OCOC2 ZINC000019687282 170840467 /nfs/dbraw/zinc/84/04/67/170840467.db2.gz CVVNJAKLURQFLO-UHFFFAOYSA-N 1 0 259.758 2.398 10 0 CEAERO CNC(=O)c1cccc(NC2CC[NH+](C(C)C)CC2)c1 ZINC000020124569 171007276 /nfs/dbraw/zinc/00/72/76/171007276.db2.gz VTZVGQYLAQRGKG-UHFFFAOYSA-N 1 0 275.396 2.331 10 0 CEAERO c1nc2ccccc2n1CCC[NH2+]C[C@@H]1CCOC1 ZINC000020130296 171019501 /nfs/dbraw/zinc/01/95/01/171019501.db2.gz YXHGKSIUVXXFGD-ZDUSSCGKSA-N 1 0 259.353 2.053 10 0 CEAERO CSCCC[NH2+]C[C@H](CC(C)C)N1CCOCC1 ZINC000020144436 171029723 /nfs/dbraw/zinc/02/97/23/171029723.db2.gz RUARYJVHNGNNLO-AWEZNQCLSA-N 1 0 274.474 2.076 10 0 CEAERO COc1cccc(C[NH2+]C[C@@H](C(C)C)N(C)C)c1 ZINC000020145444 171031171 /nfs/dbraw/zinc/03/11/71/171031171.db2.gz KBIUNCWBGNDSFD-HNNXBMFYSA-N 1 0 250.386 2.371 10 0 CEAERO CSc1ccc([C@H](C)[NH2+]CCNC(C)=O)cc1 ZINC000020185016 171048275 /nfs/dbraw/zinc/04/82/75/171048275.db2.gz ZFVRZDWPTMAHGB-JTQLQIEISA-N 1 0 252.383 2.195 10 0 CEAERO [NH3+]CCc1csc(NCCc2cccs2)n1 ZINC000020185292 171048296 /nfs/dbraw/zinc/04/82/96/171048296.db2.gz ASMCSPGONNVQKL-UHFFFAOYSA-N 1 0 253.396 2.360 10 0 CEAERO CCCN(CCC)S(=O)(=O)c1ccc(F)c(C[NH3+])c1 ZINC000020189203 171054579 /nfs/dbraw/zinc/05/45/79/171054579.db2.gz ORGQGIGZFRFZLV-UHFFFAOYSA-N 1 0 288.388 2.095 10 0 CEAERO [NH3+]Cc1cc(=O)c2cc(Br)ccc2o1 ZINC000020222227 171085277 /nfs/dbraw/zinc/08/52/77/171085277.db2.gz BAQHIZCSQOFGNP-UHFFFAOYSA-N 1 0 254.083 2.014 10 0 CEAERO Cc1ccc(S(=O)(=O)Nc2ccc(C[NH3+])cc2)cc1 ZINC000020224359 171086721 /nfs/dbraw/zinc/08/67/21/171086721.db2.gz WVABMIXSFMSBMZ-UHFFFAOYSA-N 1 0 276.361 2.255 10 0 CEAERO [NH3+]C[C@@H](c1ccc(F)c(F)c1)N1CCSCC1 ZINC000020257017 171111569 /nfs/dbraw/zinc/11/15/69/171111569.db2.gz SCCRPNHEPUCUGU-LBPRGKRZSA-N 1 0 258.337 2.013 10 0 CEAERO CCN(C(=O)CC[NH3+])c1ccccc1OC(C)C ZINC000020262487 171119963 /nfs/dbraw/zinc/11/99/63/171119963.db2.gz PAQCOJREDOIWBR-UHFFFAOYSA-N 1 0 250.342 2.176 10 0 CEAERO [NH3+][C@H](CN1CCOC1=O)c1ccc2ccccc2c1 ZINC000020262246 171120011 /nfs/dbraw/zinc/12/00/11/171120011.db2.gz LZUVRTYPXOMLJF-CQSZACIVSA-N 1 0 256.305 2.292 10 0 CEAERO Cc1ccc(CN(C)c2ccc(C(N)=[NH2+])cn2)cc1 ZINC000020264659 171121822 /nfs/dbraw/zinc/12/18/22/171121822.db2.gz NKGIGGNDNBFIFS-UHFFFAOYSA-N 1 0 254.337 2.310 10 0 CEAERO c1ccc(CN2CC[C@H]([NH2+]CCc3ccccn3)C2)cc1 ZINC000020303467 171140328 /nfs/dbraw/zinc/14/03/28/171140328.db2.gz PJBDCMUESFMDMC-SFHVURJKSA-N 1 0 281.403 2.488 10 0 CEAERO C[NH+](C)CCNc1cccc(I)c1 ZINC000020359786 171158892 /nfs/dbraw/zinc/15/88/92/171158892.db2.gz ZUEXEUSPCXPPPU-UHFFFAOYSA-N 1 0 290.148 2.265 10 0 CEAERO CCN(CC)C(=O)[C@@H](C)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000020367503 171165867 /nfs/dbraw/zinc/16/58/67/171165867.db2.gz XLPIEPCPHBJCSK-LSDHHAIUSA-N 1 0 283.460 2.097 10 0 CEAERO CC[C@@H](C)NC(=O)[C@@H](C)Oc1ccc([C@@H](C)[NH3+])cc1 ZINC000020419283 171183563 /nfs/dbraw/zinc/18/35/63/171183563.db2.gz KBLXAMJPLRRPBV-IJLUTSLNSA-N 1 0 264.369 2.388 10 0 CEAERO C[C@@H]([NH3+])c1ccccc1O[C@H](C)C(=O)NC(C)(C)C ZINC000020419504 171184446 /nfs/dbraw/zinc/18/44/46/171184446.db2.gz MGWLKKFNKHJKKF-GHMZBOCLSA-N 1 0 264.369 2.388 10 0 CEAERO C[C@H]([NH3+])c1cccc(O[C@@H](C)C(=O)N2CCCC2)c1 ZINC000020419791 171184939 /nfs/dbraw/zinc/18/49/39/171184939.db2.gz RQGVQQMFEPVTAZ-RYUDHWBXSA-N 1 0 262.353 2.096 10 0 CEAERO COc1cc(N2CCCC2=[NH2+])cc(OC)c1OC ZINC000020443842 171205710 /nfs/dbraw/zinc/20/57/10/171205710.db2.gz SKFKIECQYMJDIL-UHFFFAOYSA-N 1 0 250.298 2.290 10 0 CEAERO CCCCOCCO[C@@H]1COc2ccccc2[C@@H]1[NH3+] ZINC000020509976 171230353 /nfs/dbraw/zinc/23/03/53/171230353.db2.gz KGZYTRPVENAREO-CABCVRRESA-N 1 0 265.353 2.281 10 0 CEAERO CCCCOCCOCc1ccccc1C(N)=[NH2+] ZINC000020516700 171232810 /nfs/dbraw/zinc/23/28/10/171232810.db2.gz SKPHSTHAABSLNY-UHFFFAOYSA-N 1 0 250.342 2.304 10 0 CEAERO C[C@H]1Cc2ccccc2N1C(=O)C[C@H]1CCCC[NH2+]1 ZINC000020597198 171265996 /nfs/dbraw/zinc/26/59/96/171265996.db2.gz YQWMEXWYBZPBIP-GXTWGEPZSA-N 1 0 258.365 2.496 10 0 CEAERO C[C@@H]1CCC[C@@H](C)[NH+]1CC(=O)Nc1ccccc1N ZINC000022177115 171370879 /nfs/dbraw/zinc/37/08/79/171370879.db2.gz NBFOUZHQFFFIEY-VXGBXAGGSA-N 1 0 261.369 2.470 10 0 CEAERO C[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(C[NH3+])cc2)[C@@H]1C ZINC000022218371 171376758 /nfs/dbraw/zinc/37/67/58/171376758.db2.gz LNGKDXAKLPAGLJ-LALPHHSUSA-N 1 0 296.436 2.248 10 0 CEAERO O[C@@H](C[NH2+]C1CC1)COc1ccc2c(c1)CCCC2 ZINC000032111929 171705083 /nfs/dbraw/zinc/70/50/83/171705083.db2.gz UVTWKWATPRQSTR-HNNXBMFYSA-N 1 0 261.365 2.057 10 0 CEAERO CCNC(=O)[C@H](C)Oc1cccc(C[NH2+]C(C)C)c1 ZINC000034816508 171869831 /nfs/dbraw/zinc/86/98/31/171869831.db2.gz RNFJDLJWDWSJDH-LBPRGKRZSA-N 1 0 264.369 2.088 10 0 CEAERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C)C(=O)NCc1ccco1 ZINC000034937109 171896882 /nfs/dbraw/zinc/89/68/82/171896882.db2.gz PJJYQHZDRCONKK-OBJOEFQTSA-N 1 0 264.369 2.453 10 0 CEAERO CC(C)[C@@H]([NH2+][C@H]1CCS(=O)(=O)C1)c1cccs1 ZINC000035053671 171954583 /nfs/dbraw/zinc/95/45/83/171954583.db2.gz CHSRIRLDHRAOSF-CMPLNLGQSA-N 1 0 273.423 2.222 10 0 CEAERO C[C@@H]([NH3+])c1ccc2ccccc2c1OCCC(N)=O ZINC000035427205 172194751 /nfs/dbraw/zinc/19/47/51/172194751.db2.gz CSABLAHIISTYML-SNVBAGLBSA-N 1 0 258.321 2.114 10 0 CEAERO CC[NH2+]Cc1c(N(C)C2CC2)nc2sccn12 ZINC000035430081 172198582 /nfs/dbraw/zinc/19/85/82/172198582.db2.gz CQNKELAKAFUVDD-UHFFFAOYSA-N 1 0 250.371 2.104 10 0 CEAERO C[NH2+][C@H](c1c(OC)cc(OC)cc1OC)C1CC1 ZINC000035468909 172218904 /nfs/dbraw/zinc/21/89/04/172218904.db2.gz BGTGCLGQHPHHCF-AWEZNQCLSA-N 1 0 251.326 2.383 10 0 CEAERO C[NH2+][C@H](c1cccs1)c1ccc2[nH]c(=O)oc2c1 ZINC000035500600 172234833 /nfs/dbraw/zinc/23/48/33/172234833.db2.gz RQVHADUNRPEMSV-LBPRGKRZSA-N 1 0 260.318 2.491 10 0 CEAERO CC[C@H](C)NS(=O)(=O)c1cccc([C@H](C)[NH2+]C)c1 ZINC000035632856 172315281 /nfs/dbraw/zinc/31/52/81/172315281.db2.gz ZMZRIPODIDKKCX-QWRGUYRKSA-N 1 0 270.398 2.044 10 0 CEAERO C[C@H](Oc1c(Cl)cc(Cl)cc1C[NH3+])C(=O)N(C)C ZINC000035661923 172339697 /nfs/dbraw/zinc/33/96/97/172339697.db2.gz ROVRWJHGKDDRHE-ZETCQYMHSA-N 1 0 291.178 2.308 10 0 CEAERO CCNC(=O)COc1c(Cl)cc(Cl)cc1C[NH2+]C ZINC000035661970 172340053 /nfs/dbraw/zinc/34/00/53/172340053.db2.gz AXZZCKIFLRBNOE-UHFFFAOYSA-N 1 0 291.178 2.228 10 0 CEAERO CC[NH2+]Cc1cc(Cl)cc(Cl)c1OCCC(N)=O ZINC000035662070 172340717 /nfs/dbraw/zinc/34/07/17/172340717.db2.gz YUYLLXBZFRBEEH-UHFFFAOYSA-N 1 0 291.178 2.357 10 0 CEAERO CCCN(C(C)C)S(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000035679467 172350502 /nfs/dbraw/zinc/35/05/02/172350502.db2.gz JNNWCPDJQFTNFF-UHFFFAOYSA-N 1 0 290.454 2.058 10 0 CEAERO C[C@H](NC(=O)c1ccc(F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000035690664 172359244 /nfs/dbraw/zinc/35/92/44/172359244.db2.gz JRXMWWHNSHBULR-GWCFXTLKSA-N 1 0 250.317 2.086 10 0 CEAERO C[C@@H](C[NH3+])CSc1nnc(C2CC2)n1C1CC1 ZINC000035723188 172378642 /nfs/dbraw/zinc/37/86/42/172378642.db2.gz QFKFTABDPLZXFX-QMMMGPOBSA-N 1 0 252.387 2.177 10 0 CEAERO COc1ccc2[nH]c(SCCCC[NH3+])nc2c1 ZINC000035723975 172379417 /nfs/dbraw/zinc/37/94/17/172379417.db2.gz NOPCSCXYEWYPQT-UHFFFAOYSA-N 1 0 251.355 2.403 10 0 CEAERO C[C@H]([NH2+]CC(=O)Nc1ccccc1Cl)[C@@H]1CCCO1 ZINC000035735811 172388400 /nfs/dbraw/zinc/38/84/00/172388400.db2.gz XRDGCHJRQDICNX-GWCFXTLKSA-N 1 0 282.771 2.436 10 0 CEAERO C[C@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)c1ccco1 ZINC000035738320 172391867 /nfs/dbraw/zinc/39/18/67/172391867.db2.gz HBGVXURSXVGERL-AAEUAGOBSA-N 1 0 258.321 2.027 10 0 CEAERO COc1ccc(Cl)cc1[C@@H](O)[C@@H]1CCC[NH2+]C1 ZINC000036172744 172492038 /nfs/dbraw/zinc/49/20/38/172492038.db2.gz QAKPBULBCBFSAM-RNCFNFMXSA-N 1 0 255.745 2.382 10 0 CEAERO Cc1cc(C)cc(C(=O)N2[C@H]3C[NH2+]C[C@@H]3C[C@@H]2C)c1 ZINC000036258803 172551268 /nfs/dbraw/zinc/55/12/68/172551268.db2.gz NBVCDHHGVDWDGX-QEJZJMRPSA-N 1 0 258.365 2.126 10 0 CEAERO Cc1ccc(S(=O)(=O)N(CCC[NH3+])C(C)C)c(C)c1 ZINC000036731588 172662793 /nfs/dbraw/zinc/66/27/93/172662793.db2.gz GACSPXOHBZPPML-UHFFFAOYSA-N 1 0 284.425 2.051 10 0 CEAERO Oc1cccc2c1CC[C@H]2NCCC[NH+]1CCCC1 ZINC000036852362 172749707 /nfs/dbraw/zinc/74/97/07/172749707.db2.gz TWVWQRAPAAHGBP-OAHLLOKOSA-N 1 0 260.381 2.455 10 0 CEAERO CCC[C@H]([NH3+])C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 ZINC000037006040 172865479 /nfs/dbraw/zinc/86/54/79/172865479.db2.gz NASKJLXLFKRHAU-NSHDSACASA-N 1 0 284.743 2.193 10 0 CEAERO [NH3+]Cc1ccc(C(=O)Nc2cccnc2Cl)cc1 ZINC000037019954 172882719 /nfs/dbraw/zinc/88/27/19/172882719.db2.gz UWOXZXQTENYBCJ-UHFFFAOYSA-N 1 0 261.712 2.446 10 0 CEAERO COC(=O)C[C@H]([NH2+][C@@H]1CCSC1)c1cccs1 ZINC000037076385 172934720 /nfs/dbraw/zinc/93/47/20/172934720.db2.gz PXPWRGUMHLINDQ-ZJUUUORDSA-N 1 0 271.407 2.447 10 0 CEAERO CC[N@H+](C)CCC(=O)Nc1ccc(N)cc1Cl ZINC000037078114 172935104 /nfs/dbraw/zinc/93/51/04/172935104.db2.gz MLZAFZAVRKTKTF-UHFFFAOYSA-N 1 0 255.749 2.203 10 0 CEAERO NC(=S)c1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000037143818 172982049 /nfs/dbraw/zinc/98/20/49/172982049.db2.gz OZGRXUVJLWETHJ-UHFFFAOYSA-N 1 0 264.394 2.186 10 0 CEAERO C[N@H+](CCCOc1cccc(N)c1)[C@@H]1CCSC1 ZINC000037174104 173008492 /nfs/dbraw/zinc/00/84/92/173008492.db2.gz GZJPYOGXXRTDGN-CYBMUJFWSA-N 1 0 266.410 2.475 10 0 CEAERO Cc1cccc([C@@H](C[NH3+])N(C)[C@@H]2CCSC2)c1 ZINC000037174478 173009036 /nfs/dbraw/zinc/00/90/36/173009036.db2.gz KYSUHDLZXRJXAR-ZIAGYGMSSA-N 1 0 250.411 2.432 10 0 CEAERO CC[NH2+]Cc1cc(Cl)ccc1OCC(=O)N(C)CC ZINC000037223071 173043244 /nfs/dbraw/zinc/04/32/44/173043244.db2.gz FSBQUJRQEQGWGU-UHFFFAOYSA-N 1 0 284.787 2.307 10 0 CEAERO Cc1nc2sccn2c1C[NH2+]Cc1ccncc1 ZINC000037232054 173050852 /nfs/dbraw/zinc/05/08/52/173050852.db2.gz CLJCKDXKJMEQED-UHFFFAOYSA-N 1 0 258.350 2.389 10 0 CEAERO CC[NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000037242388 173059064 /nfs/dbraw/zinc/05/90/64/173059064.db2.gz XFJZUTOESNKSIC-JTQLQIEISA-N 1 0 256.296 2.476 10 0 CEAERO CCOc1ccc(N)cc1C[NH+]1CCC(OC)CC1 ZINC000037265603 173074159 /nfs/dbraw/zinc/07/41/59/173074159.db2.gz CPMDORBMOGPJRL-UHFFFAOYSA-N 1 0 264.369 2.278 10 0 CEAERO C[C@H]([NH2+][C@@H]1CSCc2ccccc21)C(=O)N(C)C ZINC000037268220 173079334 /nfs/dbraw/zinc/07/93/34/173079334.db2.gz PDSRXMSPXRPSND-GXFFZTMASA-N 1 0 264.394 2.041 10 0 CEAERO CCCN(CCC[NH3+])S(=O)(=O)c1ccc(C)c(C)c1 ZINC000037299338 173103810 /nfs/dbraw/zinc/10/38/10/173103810.db2.gz HVIGCBGNGWHKIW-UHFFFAOYSA-N 1 0 284.425 2.053 10 0 CEAERO CC[NH+](CC)CCCNC(=O)c1cc(Cl)ccn1 ZINC000037302300 173108217 /nfs/dbraw/zinc/10/82/17/173108217.db2.gz KPDHWSOYOQDCCS-UHFFFAOYSA-N 1 0 269.776 2.197 10 0 CEAERO CC(C)(C)CC(C)(C)[NH2+]C1CCN(C(N)=O)CC1 ZINC000037312589 173114832 /nfs/dbraw/zinc/11/48/32/173114832.db2.gz OIWNXQXUBTUODI-UHFFFAOYSA-N 1 0 255.406 2.334 10 0 CEAERO NC(=[NH2+])c1cc(C(F)(F)F)ccc1-n1ccnc1 ZINC000037334643 173135531 /nfs/dbraw/zinc/13/55/31/173135531.db2.gz SOMLYQHTNHXFED-UHFFFAOYSA-N 1 0 254.215 2.175 10 0 CEAERO COc1ccc(OC)c(NC(=O)C[NH2+]C2CCCC2)c1 ZINC000037386812 173169778 /nfs/dbraw/zinc/16/97/78/173169778.db2.gz KJBGXQGWKBERMU-UHFFFAOYSA-N 1 0 278.352 2.175 10 0 CEAERO COc1ccc(NC(=O)C[NH2+]C2CCCC2)cc1OC ZINC000037386862 173170176 /nfs/dbraw/zinc/17/01/76/173170176.db2.gz HAWCZTXTUWCUGL-UHFFFAOYSA-N 1 0 278.352 2.175 10 0 CEAERO COC(C[NH2+]Cc1cccc(Br)c1)OC ZINC000037388221 173171376 /nfs/dbraw/zinc/17/13/76/173171376.db2.gz ICTGLCPGHYVBPV-UHFFFAOYSA-N 1 0 274.158 2.158 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000037394582 173175515 /nfs/dbraw/zinc/17/55/15/173175515.db2.gz OAXSHWXRLKXFLE-MELADBBJSA-N 1 0 252.402 2.413 10 0 CEAERO [NH3+][C@H](Cc1ccc(Br)cc1)c1cnccn1 ZINC000037467118 173226698 /nfs/dbraw/zinc/22/66/98/173226698.db2.gz JQIMSWTZSOQTRM-LLVKDONJSA-N 1 0 278.153 2.482 10 0 CEAERO C[C@H]([NH2+]C(C1CC1)C1CC1)C(=O)N1CCCCC1 ZINC000037497651 173236529 /nfs/dbraw/zinc/23/65/29/173236529.db2.gz MPDVOLYELALNBA-NSHDSACASA-N 1 0 250.386 2.166 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000037498146 173237243 /nfs/dbraw/zinc/23/72/43/173237243.db2.gz WHMDHFNAZCZBOU-GFCCVEGCSA-N 1 0 285.391 2.441 10 0 CEAERO CC(C)[C@@H](C)N(C)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000037504733 173239943 /nfs/dbraw/zinc/23/99/43/173239943.db2.gz ZXCLKDBNYCUKIH-RFGFWPKPSA-N 1 0 252.402 2.410 10 0 CEAERO CC(C)[C@@H]1CC[C@H](C)C[C@@]1([NH2+]CC1CC1)C(N)=O ZINC000037947073 173888018 /nfs/dbraw/zinc/88/80/18/173888018.db2.gz GHXWGMGCIADPOL-WHOFXGATSA-N 1 0 252.402 2.302 10 0 CEAERO Cc1cc2ncnn2c(NC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000038029292 174019568 /nfs/dbraw/zinc/01/95/68/174019568.db2.gz DDLBZWPLPNSTNF-CYBMUJFWSA-N 1 0 273.384 2.324 10 0 CEAERO Cc1noc(CN[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000038034232 174032821 /nfs/dbraw/zinc/03/28/21/174032821.db2.gz NVXNOMOOBFLJIP-HNNXBMFYSA-N 1 0 286.379 2.132 10 0 CEAERO CCCOc1cccc(C[NH2+]C2CCS(=O)(=O)CC2)c1 ZINC000038038295 174038454 /nfs/dbraw/zinc/03/84/54/174038454.db2.gz QKLHLWQEKMWEHJ-UHFFFAOYSA-N 1 0 297.420 2.142 10 0 CEAERO CC[N@@H+]1CC[C@H](CNc2c(F)cc(N)cc2F)C1 ZINC000038040206 174040569 /nfs/dbraw/zinc/04/05/69/174040569.db2.gz JOMHPVOMQYYOIK-SECBINFHSA-N 1 0 255.312 2.301 10 0 CEAERO CCCCC[C@H](C)NC(=O)[C@H]1CCCN1C1CC[NH2+]CC1 ZINC000038043224 174049621 /nfs/dbraw/zinc/04/96/21/174049621.db2.gz BQAGNTVHVKUTRV-GOEBONIOSA-N 1 0 295.471 2.288 10 0 CEAERO O[C@H](C[NH2+]C[C@@H]1CCCOC1)COc1cccc(Cl)c1 ZINC000038045360 174053866 /nfs/dbraw/zinc/05/38/66/174053866.db2.gz AFXVJDCERHOLQF-GXTWGEPZSA-N 1 0 299.798 2.096 10 0 CEAERO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C[C@H]2CCCOC2)c1 ZINC000038045391 174053897 /nfs/dbraw/zinc/05/38/97/174053897.db2.gz ICEZTLZKINCGKU-CVEARBPZSA-N 1 0 293.407 2.059 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)cc1 ZINC000038049305 174059979 /nfs/dbraw/zinc/05/99/79/174059979.db2.gz IWQHOPNALXSJMQ-RYUDHWBXSA-N 1 0 252.745 2.340 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)/C=C/c1ccc(F)cc1 ZINC000038049542 174060447 /nfs/dbraw/zinc/06/04/47/174060447.db2.gz YGNYVMKZOGGETQ-QZVITLNNSA-N 1 0 262.328 2.225 10 0 CEAERO CC[NH2+]C[C@H](O)COc1cc(C(C)C)ccc1C ZINC000038053000 174064827 /nfs/dbraw/zinc/06/48/27/174064827.db2.gz IDDRPJZSKFQNLJ-AWEZNQCLSA-N 1 0 251.370 2.468 10 0 CEAERO CCOc1cccc(C[NH2+]C[C@H](C)N(C)C)c1OC ZINC000038087592 174099192 /nfs/dbraw/zinc/09/91/92/174099192.db2.gz JMGKYTHHCKKVFO-LBPRGKRZSA-N 1 0 266.385 2.134 10 0 CEAERO Cc1nc2ccccn2c1C[NH2+]CC[C@@H]1CCCO1 ZINC000038096217 174110268 /nfs/dbraw/zinc/11/02/68/174110268.db2.gz NDWWQQJOFHBCJP-ZDUSSCGKSA-N 1 0 259.353 2.301 10 0 CEAERO Brc1ccc([C@@]23C=CC[N@H+](CC2)C3)cn1 ZINC000038458210 174141790 /nfs/dbraw/zinc/14/17/90/174141790.db2.gz IUWAKXRZLXYGPG-LBPRGKRZSA-N 1 0 265.154 2.357 10 0 CEAERO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](C)Cc1c(F)cccc1F ZINC000040464251 174273656 /nfs/dbraw/zinc/27/36/56/174273656.db2.gz XNJJVRQCZJEEQE-RBZYPMLTSA-N 1 0 284.350 2.385 10 0 CEAERO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCn2c(C)ccc2[C@H]1C ZINC000040490600 174291844 /nfs/dbraw/zinc/29/18/44/174291844.db2.gz QCWIRXCIQSBFDW-QKCSRTOESA-N 1 0 263.385 2.073 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)N[C@@H](C)COc1ccc(C)cc1 ZINC000040500226 174296956 /nfs/dbraw/zinc/29/69/56/174296956.db2.gz UOBHRZWZFODALK-KGLIPLIRSA-N 1 0 278.396 2.267 10 0 CEAERO Cc1cccc(CC[C@@H](C)[NH2+][C@@H]2CCS(=O)(=O)C2)c1 ZINC000040500417 174297002 /nfs/dbraw/zinc/29/70/02/174297002.db2.gz SFMVAZJAZXUPNF-UKRRQHHQSA-N 1 0 281.421 2.093 10 0 CEAERO CCCO[C@H]1CCCN(C(=O)CCC[NH2+]C(C)C)C1 ZINC000040501390 174297534 /nfs/dbraw/zinc/29/75/34/174297534.db2.gz OJRPHRXAACJVCC-AWEZNQCLSA-N 1 0 270.417 2.182 10 0 CEAERO CCN1CCC[C@H]([NH2+]Cc2ccc(NC(C)=O)cc2)C1 ZINC000040502091 174298455 /nfs/dbraw/zinc/29/84/55/174298455.db2.gz HDAGULFZSUBMCK-INIZCTEOSA-N 1 0 275.396 2.219 10 0 CEAERO Cc1cc(C)c(C(N)=[NH2+])c(OCCCc2ccncc2)n1 ZINC000040515241 174306674 /nfs/dbraw/zinc/30/66/74/174306674.db2.gz YXMIYISZPVWFSZ-UHFFFAOYSA-N 1 0 284.363 2.389 10 0 CEAERO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(Cl)ccc2N)C1 ZINC000040620398 174354334 /nfs/dbraw/zinc/35/43/34/174354334.db2.gz MMESXVAOLBJQEL-NSHDSACASA-N 1 0 295.814 2.382 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](c2nc(-c3ccccc3)c(C)[nH]2)C1 ZINC000040637907 174361652 /nfs/dbraw/zinc/36/16/52/174361652.db2.gz PKQUYUGRFRXHGZ-STQMWFEESA-N 1 0 257.337 2.435 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](c2nc(-c3ccccc3F)c[nH]2)C1 ZINC000040637842 174361807 /nfs/dbraw/zinc/36/18/07/174361807.db2.gz ZQBUPBPVLQZIIB-CABZTGNLSA-N 1 0 261.300 2.265 10 0 CEAERO COc1cccc(-c2c[nH]c([C@H]3C[C@@H](OC)C[NH2+]3)n2)c1 ZINC000040637714 174361833 /nfs/dbraw/zinc/36/18/33/174361833.db2.gz DMPBFGJMDFNECS-CHWSQXEVSA-N 1 0 273.336 2.135 10 0 CEAERO Cn1ccnc1CC[NH2+][C@H]1CCOc2ccccc21 ZINC000040638880 174362835 /nfs/dbraw/zinc/36/28/35/174362835.db2.gz GMKIMTJTCZTQCE-ZDUSSCGKSA-N 1 0 257.337 2.076 10 0 CEAERO Cc1nc([C@@H](C)[NH2+]CCc2nccn2C)cs1 ZINC000040639109 174363771 /nfs/dbraw/zinc/36/37/71/174363771.db2.gz UQRTUUYSRFYZOF-SECBINFHSA-N 1 0 250.371 2.078 10 0 CEAERO O[C@H]1CCCCC[C@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000040667313 174367204 /nfs/dbraw/zinc/36/72/04/174367204.db2.gz IVUQCJBQYPAERD-OLZOCXBDSA-N 1 0 263.337 2.199 10 0 CEAERO c1ccc(CCN2CC[C@H]([NH2+]CC[C@@H]3CCCO3)C2)cc1 ZINC000040671516 174369937 /nfs/dbraw/zinc/36/99/37/174369937.db2.gz KDJGXOJDFHDAGK-ROUUACIJSA-N 1 0 288.435 2.462 10 0 CEAERO CCn1c2ccc(Br)cc2nc1[C@@H]([NH3+])CCO ZINC000040710327 174380595 /nfs/dbraw/zinc/38/05/95/174380595.db2.gz GLYQKUIJUZMULB-VIFPVBQESA-N 1 0 298.184 2.201 10 0 CEAERO COc1cc(OC)c([C@H](C[NH3+])N2CC[C@@H](C)C2)c(OC)c1 ZINC000040717096 174384307 /nfs/dbraw/zinc/38/43/07/174384307.db2.gz INHXXHQDDZEYBO-YPMHNXCESA-N 1 0 294.395 2.054 10 0 CEAERO COc1cc(OC)c([C@H](C[NH3+])N2CC[C@@H](C)C2)cc1OC ZINC000040717529 174384826 /nfs/dbraw/zinc/38/48/26/174384826.db2.gz FUCOGKBJLVSJDJ-YPMHNXCESA-N 1 0 294.395 2.054 10 0 CEAERO C[C@@H]1CCN([C@@H](C[NH3+])c2cc(Cl)c3c(c2)OCCO3)C1 ZINC000040717377 174385013 /nfs/dbraw/zinc/38/50/13/174385013.db2.gz ATZNDUCDQGMQLJ-MFKMUULPSA-N 1 0 296.798 2.453 10 0 CEAERO Cc1cc(=O)n(C[C@H]([NH3+])C23CC4CC(CC(C4)C2)C3)cn1 ZINC000040728167 174387734 /nfs/dbraw/zinc/38/77/34/174387734.db2.gz GHNLOUXMVKZGEU-RDVIWEACSA-N 1 0 287.407 2.095 10 0 CEAERO CN(C)Nc1[nH+]cnc(NCc2ccc(Cl)cc2)c1N ZINC000040760000 174396781 /nfs/dbraw/zinc/39/67/81/174396781.db2.gz NQTGZGRNBBXPSQ-UHFFFAOYSA-N 1 0 292.774 2.213 10 0 CEAERO CC(C)c1cc(N2C[C@@H]3C[C@@H]([NH3+])CC[C@@H]3C2)ncn1 ZINC000040766606 174398260 /nfs/dbraw/zinc/39/82/60/174398260.db2.gz KXTGIOCTQSRBRP-AGIUHOORSA-N 1 0 260.385 2.164 10 0 CEAERO CC(C)C[C@H](CO)[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000040776487 174403309 /nfs/dbraw/zinc/40/33/09/174403309.db2.gz SIRDCIDDZFCOGE-CQSZACIVSA-N 1 0 279.380 2.345 10 0 CEAERO COc1ccc([C@H](C)N[C@@H]2C[NH2+]C[C@@H](C)C2)cc1OC ZINC000401793440 414753042 /nfs/dbraw/zinc/75/30/42/414753042.db2.gz DDEKQYJBSPNSRD-OBJOEFQTSA-N 1 0 278.396 2.352 10 0 CEAERO [NH3+]CCc1noc(-c2ccc(Br)cc2F)n1 ZINC000041062059 174465810 /nfs/dbraw/zinc/46/58/10/174465810.db2.gz VYISDNWBIATBBI-UHFFFAOYSA-N 1 0 286.104 2.139 10 0 CEAERO c1ccn2c(c1)nnc2CC[NH2+][C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000041092267 174477651 /nfs/dbraw/zinc/47/76/51/174477651.db2.gz RPJSFOCSGPGTBN-YNEHKIRRSA-N 1 0 256.353 2.050 10 0 CEAERO Fc1cc(Cl)ccc1CN1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404289480 414777210 /nfs/dbraw/zinc/77/72/10/414777210.db2.gz ZPDPTFPMDXHCLM-UONOGXRCSA-N 1 0 284.762 2.042 10 0 CEAERO COc1ccc(C[NH2+][C@H]2CCC[C@@H](O)C2)c(F)c1 ZINC000404594071 414788174 /nfs/dbraw/zinc/78/81/74/414788174.db2.gz OIGUFTIGAMXPHF-NWDGAFQWSA-N 1 0 253.317 2.227 10 0 CEAERO [NH3+]CC[C@@H](O)CCOc1ccc(Cl)cc1Cl ZINC000041357920 174535556 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CEAERO CC[C@@H](C)NC(=O)[C@H](C)Oc1ccc(C[NH3+])cc1Cl ZINC000042302987 174678955 /nfs/dbraw/zinc/67/89/55/174678955.db2.gz RIKHTMBJDZTTCE-ZJUUUORDSA-N 1 0 284.787 2.481 10 0 CEAERO CCC[NH2+]Cc1cc(F)ccc1N(CC)CC(=O)NCC ZINC000042370549 174700952 /nfs/dbraw/zinc/70/09/52/174700952.db2.gz ODEWFDUMILNQSF-UHFFFAOYSA-N 1 0 295.402 2.288 10 0 CEAERO CC(C)[C@H]([NH3+])CCNc1ncnc2ccsc21 ZINC000663275390 414901294 /nfs/dbraw/zinc/90/12/94/414901294.db2.gz HJBOCXYQXXAWGO-SECBINFHSA-N 1 0 250.371 2.477 10 0 CEAERO CCc1cc2c(ncnc2N[C@@H](C)C[NH2+]C)s1 ZINC000663277968 414903218 /nfs/dbraw/zinc/90/32/18/414903218.db2.gz ANHIAPUTVRIPBA-QMMMGPOBSA-N 1 0 250.371 2.274 10 0 CEAERO CN1C[C@@H](C[NH2+]Cc2ccccc2C2CC2)CC1=O ZINC000657695793 415050636 /nfs/dbraw/zinc/05/06/36/415050636.db2.gz DUVXYNOSTQUVGY-GFCCVEGCSA-N 1 0 258.365 2.132 10 0 CEAERO CC[C@@H]1CCC[C@H](C[NH2+]C[C@@H]2CC(=O)N(C)C2)C1 ZINC000657694532 415050847 /nfs/dbraw/zinc/05/08/47/415050847.db2.gz DXPHIJQBAALIKN-RDBSUJKOSA-N 1 0 252.402 2.271 10 0 CEAERO CCCN(CC(F)(F)F)C(=O)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000042781249 174877004 /nfs/dbraw/zinc/87/70/04/174877004.db2.gz DSALXHVABOGCOK-ZJUUUORDSA-N 1 0 266.307 2.175 10 0 CEAERO CC[C@@H](C)Oc1cc2c(cc1C[C@H](C)[NH3+])OCO2 ZINC000042878301 174901179 /nfs/dbraw/zinc/90/11/79/174901179.db2.gz PNMRLVQZCGMEOR-VHSXEESVSA-N 1 0 251.326 2.482 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccc(F)cc1)N(C)CC(=O)NC(C)C ZINC000042915684 174915427 /nfs/dbraw/zinc/91/54/27/174915427.db2.gz KLMARJCNTUDBCV-ZBFHGGJFSA-N 1 0 295.402 2.061 10 0 CEAERO COc1ccc([C@@H]([C@@H](C)[NH3+])N2CCOC(C)(C)C2)cc1 ZINC000042961220 174926744 /nfs/dbraw/zinc/92/67/44/174926744.db2.gz SPNWNGZNBUJIHP-IUODEOHRSA-N 1 0 278.396 2.194 10 0 CEAERO C[C@H]([NH3+])[C@@H](OC[C@@H]1CCCO1)c1cccc(F)c1 ZINC000042973739 174937069 /nfs/dbraw/zinc/93/70/69/174937069.db2.gz MVQAWTWDSSRTOO-LEWSCRJBSA-N 1 0 253.317 2.410 10 0 CEAERO Cn1ccnc1S[C@H](C[NH3+])c1cccc(F)c1 ZINC000042974338 174937483 /nfs/dbraw/zinc/93/74/83/174937483.db2.gz MUNLXKUKRFUZRQ-LLVKDONJSA-N 1 0 251.330 2.351 10 0 CEAERO Cc1nc(C)n([C@@H](C[NH3+])c2cccc(Br)c2)n1 ZINC000043022242 174945419 /nfs/dbraw/zinc/94/54/19/174945419.db2.gz IPPNBFYSPFHYFI-LBPRGKRZSA-N 1 0 295.184 2.206 10 0 CEAERO [NH3+]C[C@@H](OC[C@H]1CCCCO1)c1ccccc1F ZINC000043047651 174957363 /nfs/dbraw/zinc/95/73/63/174957363.db2.gz IZAGESUAGBVZMO-BXUZGUMPSA-N 1 0 253.317 2.411 10 0 CEAERO CCOC(=O)CS[C@H](C[NH3+])c1sccc1C ZINC000043251450 174993891 /nfs/dbraw/zinc/99/38/91/174993891.db2.gz GZZVHFPXQRDHJL-SECBINFHSA-N 1 0 259.396 2.353 10 0 CEAERO C[NH2+][C@H](c1ccc(OC(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300710 175001536 /nfs/dbraw/zinc/00/15/36/175001536.db2.gz DWAFASZVPPBHGO-UKRRQHHQSA-N 1 0 297.420 2.169 10 0 CEAERO CC[NH2+][C@@H](c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300805 175001545 /nfs/dbraw/zinc/00/15/45/175001545.db2.gz YECNAPJXNOUTNK-YPMHNXCESA-N 1 0 287.812 2.425 10 0 CEAERO CCC[NH2+][C@@H](c1ccccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000043301446 175001881 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CC[C@H]([NH3+])[C@@H](c1ccccn1)N(C)Cc1cc(C)on1 ZINC000043339483 175013570 /nfs/dbraw/zinc/01/35/70/175013570.db2.gz FTJXQARMCSTFDY-ZFWWWQNUSA-N 1 0 274.368 2.288 10 0 CEAERO CCC(CC)N(CCO)[C@H](c1cccnc1)[C@H]([NH3+])CC ZINC000043348306 175018422 /nfs/dbraw/zinc/01/84/22/175018422.db2.gz ABNDCHLLZPWCMG-HZPDHXFCSA-N 1 0 279.428 2.343 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1cccnc1)N(CCO)C1CCCCC1 ZINC000043348317 175018528 /nfs/dbraw/zinc/01/85/28/175018528.db2.gz RAZDGZOPJPFQHL-DLBZAZTESA-N 1 0 291.439 2.487 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1cccnc1)N(CCO)C1CCCCC1 ZINC000043348316 175018822 /nfs/dbraw/zinc/01/88/22/175018822.db2.gz MCRYEQSIWNHFHP-CZUORRHYSA-N 1 0 277.412 2.097 10 0 CEAERO [NH3+]C[C@H](Oc1ccc(F)c(F)c1)c1cccnc1 ZINC000043351221 175019822 /nfs/dbraw/zinc/01/98/22/175019822.db2.gz GAKKDXLEIISISY-ZDUSSCGKSA-N 1 0 250.248 2.439 10 0 CEAERO CCOC1CCN([C@@H](c2ccncc2)[C@@H]([NH3+])CC)CC1 ZINC000043353917 175020991 /nfs/dbraw/zinc/02/09/91/175020991.db2.gz PPTDEYGQGTXSEL-HOTGVXAUSA-N 1 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/nfs/dbraw/zinc/02/56/03/175025603.db2.gz BRECNJVNDSREBQ-CZUORRHYSA-N 1 0 295.427 2.167 10 0 CEAERO C[C@H]([NH3+])[C@@H](N1CCC[C@@H]1c1cccnc1)C(F)(F)F ZINC000043377498 175029998 /nfs/dbraw/zinc/02/99/98/175029998.db2.gz BLQWJUSXVLMYFO-MVWJERBFSA-N 1 0 273.302 2.497 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](N(C)CC(F)(F)F)C(F)(F)F ZINC000043377880 175030652 /nfs/dbraw/zinc/03/06/52/175030652.db2.gz NAPPGADHBPWYQR-PHDIDXHHSA-N 1 0 252.202 2.149 10 0 CEAERO CC[C@H]([NH3+])[C@H](n1cc(Br)cn1)C(F)(F)F ZINC000043383087 175031177 /nfs/dbraw/zinc/03/11/77/175031177.db2.gz OZSQGNNEWDUVHM-BQBZGAKWSA-N 1 0 286.095 2.486 10 0 CEAERO C[C@@H]1CN([C@@H](C[NH3+])c2ccc(Cl)c(F)c2)CCO1 ZINC000043390128 175033597 /nfs/dbraw/zinc/03/35/97/175033597.db2.gz AYAYYBNAIMTLHA-RNCFNFMXSA-N 1 0 272.751 2.200 10 0 CEAERO [NH3+]CCc1ccc(OC[C@H]2CCCO2)c(Cl)c1 ZINC000043491053 175057314 /nfs/dbraw/zinc/05/73/14/175057314.db2.gz FQWNDGZFHPDJPM-LLVKDONJSA-N 1 0 255.745 2.399 10 0 CEAERO CCC[NH2+][C@H](CN1CCOCC1)c1ccc(OCC)cc1 ZINC000043808667 175108967 /nfs/dbraw/zinc/10/89/67/175108967.db2.gz DFUWJJYLKRODKC-QGZVFWFLSA-N 1 0 292.423 2.458 10 0 CEAERO C[NH2+][C@H]1c2ccccc2CCC[C@H]1N1CCO[C@@H](C)C1 ZINC000043812338 175110813 /nfs/dbraw/zinc/11/08/13/175110813.db2.gz YMTMALBFMXKJHE-XKQJLSEDSA-N 1 0 274.408 2.373 10 0 CEAERO C[NH2+][C@@H](CN(C)C(C)C)c1ccc(OC)c(OC)c1 ZINC000043813201 175110934 /nfs/dbraw/zinc/11/09/34/175110934.db2.gz KTYCYYQCVSKEAY-ZDUSSCGKSA-N 1 0 266.385 2.305 10 0 CEAERO CCC[NH2+][C@@H]1CCCC[C@H]1N1C[C@@H](C)O[C@@H](C)C1 ZINC000043811643 175111047 /nfs/dbraw/zinc/11/10/47/175111047.db2.gz YCYATUZFZLVANO-LXTVHRRPSA-N 1 0 254.418 2.406 10 0 CEAERO CCC[NH2+][C@@H](CN(C)C)c1ccc(OC)cc1OC ZINC000043816176 175112466 /nfs/dbraw/zinc/11/24/66/175112466.db2.gz XABMSZRJDSJHGP-AWEZNQCLSA-N 1 0 266.385 2.306 10 0 CEAERO CCC[NH2+][C@@H]1CCOC[C@H]1N(C)Cc1ccccc1 ZINC000043816612 175112513 /nfs/dbraw/zinc/11/25/13/175112513.db2.gz LNJGZZAISCAXTR-HZPDHXFCSA-N 1 0 262.397 2.276 10 0 CEAERO CC[NH2+][C@@H](CN1CCC(OC)CC1)c1ccccc1OC ZINC000043890176 175118088 /nfs/dbraw/zinc/11/80/88/175118088.db2.gz AHLMJKMGVFFORH-INIZCTEOSA-N 1 0 292.423 2.457 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2CC[C@@H]1N1CCOC[C@@H]1C ZINC000043891633 175118448 /nfs/dbraw/zinc/11/84/48/175118448.db2.gz LFYQZLOPIOXALV-JQFCIGGWSA-N 1 0 274.408 2.373 10 0 CEAERO CC[NH2+][C@H]1CCC2(C[C@H]1N1CCC[C@@H](CC)C1)OCCO2 ZINC000043896782 175119227 /nfs/dbraw/zinc/11/92/27/175119227.db2.gz BMWULWQANLILGZ-OWCLPIDISA-N 1 0 296.455 2.382 10 0 CEAERO CC[NH2+][C@@H](CN(C)C1CCOCC1)c1cccc(OC)c1 ZINC000043898420 175121334 /nfs/dbraw/zinc/12/13/34/175121334.db2.gz YFZSFDZUPCSLNO-KRWDZBQOSA-N 1 0 292.423 2.457 10 0 CEAERO CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N(C)C1CCOCC1 ZINC000043898351 175121570 /nfs/dbraw/zinc/12/15/70/175121570.db2.gz OSAJRWUXDROQBR-CFVMTHIKSA-N 1 0 254.418 2.264 10 0 CEAERO CC[NH2+][C@@H]1CCC2(C[C@H]1N1CCC(CC)CC1)OCCO2 ZINC000043913472 175124462 /nfs/dbraw/zinc/12/44/62/175124462.db2.gz HJVROMHOPHOJFJ-HZPDHXFCSA-N 1 0 296.455 2.382 10 0 CEAERO CC[C@H]([C@H]([NH2+]C)c1ccccc1)N(CCOC)CCOC ZINC000043912613 175124494 /nfs/dbraw/zinc/12/44/94/175124494.db2.gz NMMALRXACVVSDY-IAGOWNOFSA-N 1 0 294.439 2.321 10 0 CEAERO CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N(CCOC)CCOC ZINC000043912878 175124682 /nfs/dbraw/zinc/12/46/82/175124682.db2.gz FTYPEMFICHGHLH-XHSDSOJGSA-N 1 0 286.460 2.138 10 0 CEAERO C[NH2+][C@H]1CCCCC[C@H]1N(C)C[C@@H]1CCCCO1 ZINC000043966369 175127864 /nfs/dbraw/zinc/12/78/64/175127864.db2.gz RKDHHLAGFRFJOX-SOUVJXGZSA-N 1 0 254.418 2.408 10 0 CEAERO CCC[NH2+][C@@H]1CCCC[C@H]1N(C)C[C@@H]1CCCO1 ZINC000043966306 175127881 /nfs/dbraw/zinc/12/78/81/175127881.db2.gz KSFZIOVEZWEBNB-RRFJBIMHSA-N 1 0 254.418 2.408 10 0 CEAERO CCN(CCOC)[C@H]1CCc2ccccc2[C@@H]1[NH2+]C ZINC000043968576 175130018 /nfs/dbraw/zinc/13/00/18/175130018.db2.gz JJSPPAOZAMDRGB-HOTGVXAUSA-N 1 0 262.397 2.230 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2OC[C@H]1N(C)[C@@H](C)COC ZINC000043969323 175130630 /nfs/dbraw/zinc/13/06/30/175130630.db2.gz RLHMJWQZQRIFSQ-BJJXKVORSA-N 1 0 278.396 2.065 10 0 CEAERO C[NH2+][C@H](c1ccccc1)[C@H](C)N(CCOC)C1CC1 ZINC000043969609 175130663 /nfs/dbraw/zinc/13/06/63/175130663.db2.gz SKGFLPCKFQMCRY-BBRMVZONSA-N 1 0 262.397 2.446 10 0 CEAERO CCCO[C@@H]1CCCN([C@@H]2CCC[C@@H]2[NH2+]CC)C1 ZINC000043971224 175132955 /nfs/dbraw/zinc/13/29/55/175132955.db2.gz FVLRVXWYBINVEN-QLFBSQMISA-N 1 0 254.418 2.408 10 0 CEAERO CC(C)(C)N1CC[C@H]1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000658059724 415181652 /nfs/dbraw/zinc/18/16/52/415181652.db2.gz WTZHXXQYBVOIAA-IGQOVBAYSA-N 1 0 266.429 2.262 10 0 CEAERO [NH3+][C@@H]1CCCc2cc(OCCn3cccn3)ccc21 ZINC000044732356 175241036 /nfs/dbraw/zinc/24/10/36/175241036.db2.gz KOZNBUQRBZPKQQ-OAHLLOKOSA-N 1 0 257.337 2.298 10 0 CEAERO CCC[NH2+][C@@H]1CCCc2cc(O[C@H](C)C(N)=O)ccc21 ZINC000044745759 175241829 /nfs/dbraw/zinc/24/18/29/175241829.db2.gz LNDADAVRWFKWEG-IAQYHMDHSA-N 1 0 276.380 2.316 10 0 CEAERO CN1CCC[C@@H]([NH2+][C@@H]2CCCc3cc(O)ccc32)C1 ZINC000044747471 175242970 /nfs/dbraw/zinc/24/29/70/175242970.db2.gz BYEWHVNPAKLHPG-CZUORRHYSA-N 1 0 260.381 2.453 10 0 CEAERO CC[NH+]1CCC(N(C)C(=O)c2ccc(N)cc2C)CC1 ZINC000044748422 175244009 /nfs/dbraw/zinc/24/40/09/175244009.db2.gz IYPYBKXBRCEYBK-UHFFFAOYSA-N 1 0 275.396 2.134 10 0 CEAERO [NH3+]CC1(C(=O)NCCc2ccc(F)cc2)CCCCC1 ZINC000044762071 175246463 /nfs/dbraw/zinc/24/64/63/175246463.db2.gz STZSCZZJXJTUML-UHFFFAOYSA-N 1 0 278.371 2.394 10 0 CEAERO CN(C[C@H]1CCCCO1)C(=O)C1(C[NH3+])CCCCCC1 ZINC000044763351 175247543 /nfs/dbraw/zinc/24/75/43/175247543.db2.gz ZLSGKQNMBUVVEE-CQSZACIVSA-N 1 0 282.428 2.313 10 0 CEAERO C[C@@H]1CCCN(C(=O)[C@H](C[NH3+])Cc2ccccc2)C1 ZINC000044796135 175254823 /nfs/dbraw/zinc/25/48/23/175254823.db2.gz VXSPHOWKJXWXLX-HIFRSBDPSA-N 1 0 260.381 2.063 10 0 CEAERO CC(C)[C@@H](C[NH3+])C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000044798099 175254989 /nfs/dbraw/zinc/25/49/89/175254989.db2.gz HSYWHCHYJCYLMR-GFCCVEGCSA-N 1 0 278.352 2.017 10 0 CEAERO CCC[C@@H](C)N(C)C(=O)[C@@H](C[NH3+])Cc1ccccc1 ZINC000044802066 175255455 /nfs/dbraw/zinc/25/54/55/175255455.db2.gz NNEZEQLWFWSNOP-UKRRQHHQSA-N 1 0 262.397 2.451 10 0 CEAERO CC(C)C[C@H](C)NC(=O)[C@H](C[NH3+])Cc1ccccc1 ZINC000044800912 175255518 /nfs/dbraw/zinc/25/55/18/175255518.db2.gz RALUCLGIHUBSCN-ZFWWWQNUSA-N 1 0 262.397 2.355 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N(C)Cc1ccc(OC)cc1 ZINC000044804094 175255989 /nfs/dbraw/zinc/25/59/89/175255989.db2.gz GPEDYYJAXAMSBF-CYBMUJFWSA-N 1 0 264.369 2.029 10 0 CEAERO CCCCN(CCO)C(=O)C(C[NH3+])(CCC)CCC ZINC000044805006 175256384 /nfs/dbraw/zinc/25/63/84/175256384.db2.gz TYFUEBHSRPUTAZ-UHFFFAOYSA-N 1 0 272.433 2.153 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)N(CC)CCOC ZINC000044805028 175256682 /nfs/dbraw/zinc/25/66/82/175256682.db2.gz FSLPYPKTVKGMDF-UHFFFAOYSA-N 1 0 258.406 2.027 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)NCCCCOC ZINC000044808459 175256818 /nfs/dbraw/zinc/25/68/18/175256818.db2.gz DWBLLZLGCQOGKH-UHFFFAOYSA-N 1 0 258.406 2.075 10 0 CEAERO CNC(=O)CC[NH2+][C@H](C)c1sccc1Br ZINC000044990338 175286179 /nfs/dbraw/zinc/28/61/79/175286179.db2.gz JIZNFFDEUYHUGF-SSDOTTSWSA-N 1 0 291.214 2.297 10 0 CEAERO CC[NH2+][C@@H]1CCN(CC2CCC(CC)CC2)C1=O ZINC000044995028 175287221 /nfs/dbraw/zinc/28/72/21/175287221.db2.gz KDBVNSMRXOESMC-JXQTWKCFSA-N 1 0 252.402 2.413 10 0 CEAERO C[C@@H](CN1Cc2cccc(N)c2C1)[NH+]1CCCCC1 ZINC000045006855 175289011 /nfs/dbraw/zinc/28/90/11/175289011.db2.gz AVISHHGJGAJZTK-ZDUSSCGKSA-N 1 0 259.397 2.459 10 0 CEAERO Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCCCC2)cc1O ZINC000045010692 175289285 /nfs/dbraw/zinc/28/92/85/175289285.db2.gz UNJMXTLDJDDAPC-ZDUSSCGKSA-N 1 0 276.380 2.305 10 0 CEAERO COCC[C@](C)(C[NH3+])N(C)Cc1ccccc1F ZINC000045043392 175294736 /nfs/dbraw/zinc/29/47/36/175294736.db2.gz ZIQHHBFEXMNXBY-CQSZACIVSA-N 1 0 254.349 2.011 10 0 CEAERO COc1cc(N)ccc1NC(=O)C[N@H+](C)CC(C)(C)C ZINC000045064463 175298850 /nfs/dbraw/zinc/29/88/50/175298850.db2.gz IBCANQCGQMWHOT-UHFFFAOYSA-N 1 0 279.384 2.194 10 0 CEAERO C[N@H+](CC(N)=S)Cc1ccc(OC(F)(F)F)cc1 ZINC000045063033 175298888 /nfs/dbraw/zinc/29/88/88/175298888.db2.gz SCUCCSKSOCPZJX-UHFFFAOYSA-N 1 0 278.299 2.303 10 0 CEAERO COc1ccc(NC(=O)C[N@H+](C)CC(C)(C)C)c(N)c1 ZINC000045064592 175299504 /nfs/dbraw/zinc/29/95/04/175299504.db2.gz RIZGHUGEJULJNP-UHFFFAOYSA-N 1 0 279.384 2.194 10 0 CEAERO CCC[N@H+](CC(N)=S)CC(=O)Nc1ccc(Cl)cc1 ZINC000045093565 175307079 /nfs/dbraw/zinc/30/70/79/175307079.db2.gz JGENGTMNBURTDZ-UHFFFAOYSA-N 1 0 299.827 2.277 10 0 CEAERO CC(C)CCOCC[NH2+]C[C@H](O)CO[C@H](C)CC(C)C ZINC000045106720 175308171 /nfs/dbraw/zinc/30/81/71/175308171.db2.gz PQNQGMGEBPVDBM-CVEARBPZSA-N 1 0 289.460 2.451 10 0 CEAERO CCCCCNC(=O)[C@H](C)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000045135065 175312466 /nfs/dbraw/zinc/31/24/66/175312466.db2.gz WLKYMAHIXZXSOA-GJZGRUSLSA-N 1 0 283.460 2.001 10 0 CEAERO COC(=O)c1cc(N)ccc1NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000045141377 175315903 /nfs/dbraw/zinc/31/59/03/175315903.db2.gz WFEXCPWRYMHZRX-LBPRGKRZSA-N 1 0 291.395 2.198 10 0 CEAERO COc1ccc(Cl)cc1C[N@H+](C)[C@@H](C)C(N)=S ZINC000045147024 175317142 /nfs/dbraw/zinc/31/71/42/175317142.db2.gz ONOSMNRKCXSHIB-QMMMGPOBSA-N 1 0 272.801 2.455 10 0 CEAERO CC[NH2+]CCN(C)Cc1cc(Cl)ccc1OC ZINC000045147282 175317429 /nfs/dbraw/zinc/31/74/29/175317429.db2.gz FUBSGJQHBVFHRQ-UHFFFAOYSA-N 1 0 256.777 2.390 10 0 CEAERO Cc1nn(C)c(C)c1-c1c[nH]c(C[NH2+]C2CCCC2)n1 ZINC000045169549 175320245 /nfs/dbraw/zinc/32/02/45/175320245.db2.gz LDWZKSYHKQITTK-UHFFFAOYSA-N 1 0 273.384 2.459 10 0 CEAERO Cc1nn(C)c(C)c1[C@H](C)[NH2+][C@H](CC(C)C)C(=O)N(C)C ZINC000045170068 175320248 /nfs/dbraw/zinc/32/02/48/175320248.db2.gz VVICQVMQGJTPRU-SMDDNHRTSA-N 1 0 294.443 2.190 10 0 CEAERO CCN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000045171014 175320709 /nfs/dbraw/zinc/32/07/09/175320709.db2.gz MCOKBJYUDROAKX-AAEUAGOBSA-N 1 0 294.443 2.427 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)[NH2+][C@@H](C)c1cnn(C)c1C ZINC000045171319 175321202 /nfs/dbraw/zinc/32/12/02/175321202.db2.gz HLTVBDMDVRQCCD-VHSXEESVSA-N 1 0 275.400 2.491 10 0 CEAERO CS(=O)(=O)c1ccc(CN2CCCCC2=[NH2+])cc1 ZINC000045173818 175322931 /nfs/dbraw/zinc/32/29/31/175322931.db2.gz AWOGIUPAIJMAAG-UHFFFAOYSA-N 1 0 266.366 2.053 10 0 CEAERO CCCC[N@H+](C)C[C@@](NC)(C(=O)OCC)c1ccccc1 ZINC000045221914 175330574 /nfs/dbraw/zinc/33/05/74/175330574.db2.gz TULYSKWBTXRIGX-KRWDZBQOSA-N 1 0 292.423 2.396 10 0 CEAERO CCCC[N@H+](CC)CC[C@](C)(NCCC)C(=O)OC ZINC000045223402 175331283 /nfs/dbraw/zinc/33/12/83/175331283.db2.gz RACONXKOJFSNJV-HNNXBMFYSA-N 1 0 272.433 2.430 10 0 CEAERO CCCC[N@H+](CC)CC[C@](C)(NCC)C(=O)OCC ZINC000045223392 175331747 /nfs/dbraw/zinc/33/17/47/175331747.db2.gz VYYTVAGKLIXXFC-HNNXBMFYSA-N 1 0 272.433 2.430 10 0 CEAERO CCOC(=O)[C@@](C)(C[N@H+](CC)C1CCCCC1)NC ZINC000045224040 175332268 /nfs/dbraw/zinc/33/22/68/175332268.db2.gz IYFATDJPDRNXQF-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CCOC(=O)[C@@](N)(C[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000045226859 175333246 /nfs/dbraw/zinc/33/32/46/175333246.db2.gz JIDKGYVNUXPLBU-WMLDXEAASA-N 1 0 290.407 2.278 10 0 CEAERO CCCN[C@](C)(CC[N@@H+]1CCCC[C@@H]1C)C(=O)OC ZINC000045227101 175333752 /nfs/dbraw/zinc/33/37/52/175333752.db2.gz PKRLUCMOUFLMCQ-DZGCQCFKSA-N 1 0 270.417 2.182 10 0 CEAERO CCCN[C@](C)(C[NH+](CCC)CCC)C(=O)OCC ZINC000045230338 175334950 /nfs/dbraw/zinc/33/49/50/175334950.db2.gz RSBDGPADKPXDAF-OAHLLOKOSA-N 1 0 272.433 2.430 10 0 CEAERO CCCC[NH+](CCCC)C[C@](C)(N)C(=O)OCC ZINC000045232685 175336145 /nfs/dbraw/zinc/33/61/45/175336145.db2.gz XLLMNRKEZZEFGJ-AWEZNQCLSA-N 1 0 258.406 2.169 10 0 CEAERO CCCN[C@@](C)(CC[N@H+](C)[C@@H](C)CC)C(=O)OCC ZINC000045263979 175337395 /nfs/dbraw/zinc/33/73/95/175337395.db2.gz CCTPFVRYPPTVJH-ZFWWWQNUSA-N 1 0 272.433 2.428 10 0 CEAERO CCN[C@](C[N@H+](C)CC)(C(=O)OCC)c1ccccc1 ZINC000045264608 175338093 /nfs/dbraw/zinc/33/80/93/175338093.db2.gz QZKKIKHQXYNGEU-INIZCTEOSA-N 1 0 278.396 2.006 10 0 CEAERO CC[N@H+](CC[C@](C)([NH2+]C(C)C)C(=O)[O-])C1CCCC1 ZINC000045269266 175340806 /nfs/dbraw/zinc/34/08/06/175340806.db2.gz YKNSSYQCEUBYHM-HNNXBMFYSA-N 1 0 270.417 2.482 10 0 CEAERO CCCCC[N@H+](C)C[C@](C)(NCC)C(=O)OCC ZINC000045268137 175340926 /nfs/dbraw/zinc/34/09/26/175340926.db2.gz OOFWTSDYNUIPAY-AWEZNQCLSA-N 1 0 258.406 2.040 10 0 CEAERO CCOC(=O)[C@](C)(CC[N@@H+]1CCC[C@@H](CC)C1)NC ZINC000045270530 175342091 /nfs/dbraw/zinc/34/20/91/175342091.db2.gz MYPUIDCURSAUMT-HIFRSBDPSA-N 1 0 270.417 2.040 10 0 CEAERO COC(=O)[C@@](C)(C[NH+](CC(C)C)CC(C)C)NC1CC1 ZINC000045273804 175344146 /nfs/dbraw/zinc/34/41/46/175344146.db2.gz VWONKCJHTXIKMI-MRXNPFEDSA-N 1 0 284.444 2.284 10 0 CEAERO CC[NH2+][C@](C)(CC[NH+](CC(C)C)CC(C)C)C(=O)[O-] ZINC000045273816 175344157 /nfs/dbraw/zinc/34/41/57/175344157.db2.gz BYLFJCUAQFOIGH-OAHLLOKOSA-N 1 0 272.433 2.443 10 0 CEAERO CCN(CC[C@@](C)([NH2+]C(C)C)C(N)=O)c1cccc(F)c1 ZINC000045275498 175345790 /nfs/dbraw/zinc/34/57/90/175345790.db2.gz BBKWMFDGYAQWLT-MRXNPFEDSA-N 1 0 295.402 2.284 10 0 CEAERO CCN[C@@](C)(C[N@@H+]1CCC[C@@H]1C1CCCC1)C(=O)OC ZINC000045277368 175347314 /nfs/dbraw/zinc/34/73/14/175347314.db2.gz HSSWICUBRIKTRJ-ZBFHGGJFSA-N 1 0 282.428 2.182 10 0 CEAERO CCOC(=O)[C@](C)(CC[N@H+](C)[C@@H](C)CC(C)C)NC ZINC000045280012 175349809 /nfs/dbraw/zinc/34/98/09/175349809.db2.gz HZEVCYIUZOIHGR-ZFWWWQNUSA-N 1 0 272.433 2.284 10 0 CEAERO CCCN[C@](C)(CC[N@H+](C)C1CCC(C)CC1)C(N)=O ZINC000045280620 175350325 /nfs/dbraw/zinc/35/03/25/175350325.db2.gz MVQLTBZTRXEOIF-ZBCRRDGASA-N 1 0 283.460 2.131 10 0 CEAERO CCN[C@@](C)(C[N@H+](C)C1CCC(C)CC1)C(=O)OCC ZINC000045280536 175350483 /nfs/dbraw/zinc/35/04/83/175350483.db2.gz LNZXDFHHSMIIFR-XUJLQICISA-N 1 0 284.444 2.428 10 0 CEAERO COC(=O)[C@@](C)(C[N@H+](CC(C)C)C(C)C)NC(C)C ZINC000045280710 175350695 /nfs/dbraw/zinc/35/06/95/175350695.db2.gz ANMDTQWYULQZHK-OAHLLOKOSA-N 1 0 272.433 2.283 10 0 CEAERO CCOC(=O)[C@@](C)(N)CC[N@H+](CC(C)C)C(C)C ZINC000045280748 175351087 /nfs/dbraw/zinc/35/10/87/175351087.db2.gz CHSWAYHBUVNLJR-AWEZNQCLSA-N 1 0 258.406 2.023 10 0 CEAERO CCC[NH2+][C@@](C)(CCC[N@@H+]1CCC[C@@H]1C)C(=O)[O-] ZINC000045367864 175363086 /nfs/dbraw/zinc/36/30/86/175363086.db2.gz ZCKWNIJWCUPZPD-JSGCOSHPSA-N 1 0 256.390 2.094 10 0 CEAERO CCCC[N@H+](C)CCC[C@@](C)([NH2+]CCC)C(=O)[O-] ZINC000045368313 175363187 /nfs/dbraw/zinc/36/31/87/175363187.db2.gz KCWIXVFVGLAYRB-CQSZACIVSA-N 1 0 258.406 2.341 10 0 CEAERO CC[NH2+][C@](C)(CCC[NH+]1CCCCCCC1)C(=O)[O-] ZINC000045371498 175364264 /nfs/dbraw/zinc/36/42/64/175364264.db2.gz GIXAFJHJYSZKOT-OAHLLOKOSA-N 1 0 270.417 2.486 10 0 CEAERO CCOC(=O)[C@@](C)(N)CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000045373501 175364672 /nfs/dbraw/zinc/36/46/72/175364672.db2.gz IGOAURDEEHOMBE-GUTXKFCHSA-N 1 0 270.417 2.025 10 0 CEAERO CCN[C@](C)(CCCC[NH+]1CCC(C)CC1)C(=O)OC ZINC000045374807 175365804 /nfs/dbraw/zinc/36/58/04/175365804.db2.gz WHJMGZMLOUEQJX-MRXNPFEDSA-N 1 0 284.444 2.430 10 0 CEAERO CCOC(=O)[C@](C)(CCC[N@@H+]1CCCC[C@@H]1C)NC ZINC000045376139 175366083 /nfs/dbraw/zinc/36/60/83/175366083.db2.gz MUXPHSCRXBIDQS-ZFWWWQNUSA-N 1 0 270.417 2.182 10 0 CEAERO CCOC(=O)[C@@](C)(N)CCCC[NH+]1CCCCCC1 ZINC000045377433 175366824 /nfs/dbraw/zinc/36/68/24/175366824.db2.gz YIMMKVMOXZOXCH-HNNXBMFYSA-N 1 0 270.417 2.313 10 0 CEAERO CCCN[C@](C)(CCCC[NH+](C)C)C(=O)OCC ZINC000045380110 175369002 /nfs/dbraw/zinc/36/90/02/175369002.db2.gz WEJQAPUPBQFCMN-CQSZACIVSA-N 1 0 258.406 2.040 10 0 CEAERO CCCN[C@@](C)(CCCC[NH+](C)C)C(=O)OCC ZINC000045380108 175369092 /nfs/dbraw/zinc/36/90/92/175369092.db2.gz WEJQAPUPBQFCMN-AWEZNQCLSA-N 1 0 258.406 2.040 10 0 CEAERO CC[N@H+](CCC[C@](C)([NH2+]C(C)C)C(=O)[O-])C(C)C ZINC000045383775 175370917 /nfs/dbraw/zinc/37/09/17/175370917.db2.gz VIDWFOVTZCITBX-AWEZNQCLSA-N 1 0 258.406 2.338 10 0 CEAERO CC[NH2+][C@@](C)(CCC[N@H+](CC)[C@@H](C)CC)C(=O)[O-] ZINC000045385397 175372371 /nfs/dbraw/zinc/37/23/71/175372371.db2.gz OJIRGJXQADGJRR-JSGCOSHPSA-N 1 0 258.406 2.340 10 0 CEAERO CCC[N@H+](CC)CCC[C@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045387014 175372773 /nfs/dbraw/zinc/37/27/73/175372773.db2.gz AHPDBRLUPQSDPM-AWEZNQCLSA-N 1 0 258.406 2.340 10 0 CEAERO CCCCC[N@H+](C)CCCC[C@](C)([NH2+]C)C(=O)[O-] ZINC000045387887 175374079 /nfs/dbraw/zinc/37/40/79/175374079.db2.gz PWNXFSLPFQIBBF-AWEZNQCLSA-N 1 0 258.406 2.341 10 0 CEAERO CCN[C@](C)(CCC[N@H+](C)C(CC)CC)C(=O)OC ZINC000045391602 175374436 /nfs/dbraw/zinc/37/44/36/175374436.db2.gz WGWDJUSBWSHFDG-OAHLLOKOSA-N 1 0 272.433 2.428 10 0 CEAERO COc1cccc(OC)c1-c1ccnc(CC[NH+](C)C)n1 ZINC000045390148 175374723 /nfs/dbraw/zinc/37/47/23/175374723.db2.gz ZOGZUNFJVUUUTM-UHFFFAOYSA-N 1 0 287.363 2.265 10 0 CEAERO CCCC[N@H+](CCC[C@@](C)(NC)C(=O)OC)C1CC1 ZINC000045421768 175380444 /nfs/dbraw/zinc/38/04/44/175380444.db2.gz ZKIPVYLBGLEKJP-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CN1C[C@H](C[NH2+][C@@H]2CCCC[C@@H]2C2CC2)CC1=O ZINC000658239773 415270279 /nfs/dbraw/zinc/27/02/79/415270279.db2.gz NTFPFOYQLGNWRF-IACUBPJLSA-N 1 0 250.386 2.023 10 0 CEAERO C[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)C1CCCCCC1 ZINC000658241634 415274653 /nfs/dbraw/zinc/27/46/53/415274653.db2.gz YNIILWFPZNFPAU-QWHCGFSZSA-N 1 0 252.402 2.413 10 0 CEAERO CC[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1ccc(OC)cc1 ZINC000658243713 415278229 /nfs/dbraw/zinc/27/82/29/415278229.db2.gz GDHAWHQCFFSNHG-WFASDCNBSA-N 1 0 276.380 2.214 10 0 CEAERO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC(=O)N(C)C2)c(C)c1 ZINC000658246108 415281683 /nfs/dbraw/zinc/28/16/83/415281683.db2.gz XOWQLKZXWMEZAA-KBPBESRZSA-N 1 0 260.381 2.432 10 0 CEAERO C[C@H](CC[NH+](C)C)NC(=O)c1cnc(Cl)c(Cl)c1 ZINC000049558808 175487914 /nfs/dbraw/zinc/48/79/14/175487914.db2.gz NAAOCFXENNIQJZ-MRVPVSSYSA-N 1 0 290.194 2.458 10 0 CEAERO COc1ccc([C@H](C)[NH2+]C2CC(CO)C2)c(OC)c1 ZINC000658351546 415332492 /nfs/dbraw/zinc/33/24/92/415332492.db2.gz NVHTYYJDRDONTN-UNXYVOJBSA-N 1 0 265.353 2.125 10 0 CEAERO CCCc1cc(N(C)c2cccc(C(N)=[NH2+])c2)ncn1 ZINC000061952237 175658642 /nfs/dbraw/zinc/65/86/42/175658642.db2.gz ZUHVIDSVZLZMAY-UHFFFAOYSA-N 1 0 269.352 2.481 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@H](C2CCCCC2)C1 ZINC000659357765 415538110 /nfs/dbraw/zinc/53/81/10/415538110.db2.gz MDNPNAJIENOTPK-VHDGCEQUSA-N 1 0 264.413 2.271 10 0 CEAERO O=C(NCc1ccc(Cl)c(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000659358359 415538947 /nfs/dbraw/zinc/53/89/47/415538947.db2.gz HWOCDNYXTJVZMA-SECBINFHSA-N 1 0 273.163 2.219 10 0 CEAERO CC(C)[C@H]1C[C@@](CO)([NH2+]C2CCCCC2)CCO1 ZINC000070371799 175898921 /nfs/dbraw/zinc/89/89/21/175898921.db2.gz TUKLHJMQGYFZSU-CABCVRRESA-N 1 0 255.402 2.475 10 0 CEAERO CC(C)[C@H]1C[C@@](CO)([NH2+]Cc2ccccc2)CCO1 ZINC000070371781 175899048 /nfs/dbraw/zinc/89/90/48/175899048.db2.gz MCVUODVJSAVHFL-CVEARBPZSA-N 1 0 263.381 2.342 10 0 CEAERO C[NH2+][C@@H](Cc1ccccc1OC)c1c(C)ccnc1N ZINC000070402974 175911857 /nfs/dbraw/zinc/91/18/57/175911857.db2.gz PPFJNTJKBVSLJJ-ZDUSSCGKSA-N 1 0 271.364 2.484 10 0 CEAERO Cc1ccc(-c2cc(N3CC[C@H]([NH3+])C3)n[nH]2)c(C)c1 ZINC000070460210 175942602 /nfs/dbraw/zinc/94/26/02/175942602.db2.gz PACVETQOWUHAIF-LBPRGKRZSA-N 1 0 256.353 2.231 10 0 CEAERO CC[C@@](C[NH3+])(CCOCCOC)c1ccccc1 ZINC000070483218 175953713 /nfs/dbraw/zinc/95/37/13/175953713.db2.gz QZZHCXQSFMEXKK-HNNXBMFYSA-N 1 0 251.370 2.346 10 0 CEAERO C[N@H+](C[C@](N)(CO)c1ccccc1)C1CCCCCC1 ZINC000070513486 175962432 /nfs/dbraw/zinc/96/24/32/175962432.db2.gz FEFDZNYQABZSAY-KRWDZBQOSA-N 1 0 276.424 2.488 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCCn1c(C)nc2ccccc21 ZINC000070515874 175965135 /nfs/dbraw/zinc/96/51/35/175965135.db2.gz MEXIKGRCQNDKJX-MRXNPFEDSA-N 1 0 275.396 2.485 10 0 CEAERO CC(C)[NH2+][C@](CO)(COc1cccc(N(C)C)c1)C1CC1 ZINC000070516832 175965493 /nfs/dbraw/zinc/96/54/93/175965493.db2.gz JDFDOGJPUNQHFH-QGZVFWFLSA-N 1 0 292.423 2.271 10 0 CEAERO C[C@@](O)(C[NH3+])CCCOc1cccc2c1OC(C)(C)C2 ZINC000070521968 175967457 /nfs/dbraw/zinc/96/74/57/175967457.db2.gz XKTSFAJOWUPERZ-INIZCTEOSA-N 1 0 279.380 2.269 10 0 CEAERO Cc1nc2ccccc2n(C[C@@H](C)C[NH2+]C2CC2)c1=O ZINC000070527614 175971638 /nfs/dbraw/zinc/97/16/38/175971638.db2.gz KOLCKPHNBHBHJU-NSHDSACASA-N 1 0 271.364 2.093 10 0 CEAERO C[C@H](C[NH2+]C1CC1)Cn1c(=O)ccc2ccccc21 ZINC000070527809 175971900 /nfs/dbraw/zinc/97/19/00/175971900.db2.gz HHSNTMFBVDLLJM-GFCCVEGCSA-N 1 0 256.349 2.390 10 0 CEAERO CC(C)(C)[NH2+]CCC(=O)N[C@H]1COc2ccccc21 ZINC000070530528 175972831 /nfs/dbraw/zinc/97/28/31/175972831.db2.gz AXJAAVKNQXZDQE-LBPRGKRZSA-N 1 0 262.353 2.015 10 0 CEAERO CC1CCC(CC[NH2+]CC(=O)N2CCCC2)CC1 ZINC000070539379 175976623 /nfs/dbraw/zinc/97/66/23/175976623.db2.gz IKLXIIONKMVJJE-UHFFFAOYSA-N 1 0 252.402 2.415 10 0 CEAERO C[C@@H]1CCN(C(=O)c2ccc(CC[NH3+])cc2)[C@H](C)C1 ZINC000070542252 175977739 /nfs/dbraw/zinc/97/77/39/175977739.db2.gz PRVUQIVPZJRIDZ-CHWSQXEVSA-N 1 0 260.381 2.448 10 0 CEAERO CC(C)(C)[C@@H](C[NH3+])n1cc(I)cn1 ZINC000070677111 176000783 /nfs/dbraw/zinc/00/07/83/176000783.db2.gz SSAGRSKYTPJJNA-MRVPVSSYSA-N 1 0 293.152 2.034 10 0 CEAERO Cc1csc([C@@H](C)[NH2+]C2CCS(=O)CC2)n1 ZINC000070732648 176004311 /nfs/dbraw/zinc/00/43/11/176004311.db2.gz DXSYQNCZJXFFNK-PWGATLRDSA-N 1 0 258.412 2.013 10 0 CEAERO [NH3+][C@H]1CCC(=O)N[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000070824416 176007296 /nfs/dbraw/zinc/00/72/96/176007296.db2.gz LQSHSPTYSMJVAR-ONGXEEELSA-N 1 0 259.136 2.272 10 0 CEAERO Nc1cc(Cl)ccc1SC[C@H]1C[NH2+]CCO1 ZINC000070834373 176007770 /nfs/dbraw/zinc/00/77/70/176007770.db2.gz KSHUYJKXXAIGCM-SECBINFHSA-N 1 0 258.774 2.003 10 0 CEAERO O=C(Nc1nnc(CC2CCCCC2)s1)[C@H]1CCC[NH2+]1 ZINC000070851129 176008875 /nfs/dbraw/zinc/00/88/75/176008875.db2.gz SMCBJYXQQGIXTB-LLVKDONJSA-N 1 0 294.424 2.351 10 0 CEAERO Cc1ccc(C(=O)N(CC[NH3+])C2CCCC2)c(C)n1 ZINC000070943554 176016730 /nfs/dbraw/zinc/01/67/30/176016730.db2.gz MLLFWLDLVYSHDA-UHFFFAOYSA-N 1 0 261.369 2.042 10 0 CEAERO [NH3+]CCN(C(=O)c1cccc(F)c1)C1CCCC1 ZINC000070943663 176016812 /nfs/dbraw/zinc/01/68/12/176016812.db2.gz VCYOXDGBFLYRRZ-UHFFFAOYSA-N 1 0 250.317 2.169 10 0 CEAERO Cc1ccc([C@@H]2[C@H]([NH3+])CCC(=O)N2C2CC2)cc1C ZINC000070987586 176018381 /nfs/dbraw/zinc/01/83/81/176018381.db2.gz OZFCJDRBFOFSPA-GDBMZVCRSA-N 1 0 258.365 2.457 10 0 CEAERO CC(C)N1C(=O)CC[C@@H]([NH3+])[C@H]1c1cccc(F)c1 ZINC000070987004 176018637 /nfs/dbraw/zinc/01/86/37/176018637.db2.gz UVFXPDNQEXEJIK-TZMCWYRMSA-N 1 0 250.317 2.225 10 0 CEAERO CC(C)N1C(=O)CC[C@H]([NH3+])[C@@H]1c1cccc(F)c1F ZINC000070987019 176018676 /nfs/dbraw/zinc/01/86/76/176018676.db2.gz FFKABRZRJDQVRK-FZMZJTMJSA-N 1 0 268.307 2.364 10 0 CEAERO C[C@H]1CCC[C@H](CC[NH2+]CCCS(C)(=O)=O)C1 ZINC000071029702 176022190 /nfs/dbraw/zinc/02/21/90/176022190.db2.gz INCBXNKTSZLFBW-QWHCGFSZSA-N 1 0 261.431 2.227 10 0 CEAERO CC(C)[NH2+][C@H]1CCN([C@H](C)Cc2ccc(F)cc2)C1=O ZINC000071031260 176022516 /nfs/dbraw/zinc/02/25/16/176022516.db2.gz IQKUTBYUFVOGHJ-DOMZBBRYSA-N 1 0 278.371 2.356 10 0 CEAERO CC(C)[NH2+][C@H]1CCN(c2cccc(F)c2F)C1=O ZINC000071031072 176022688 /nfs/dbraw/zinc/02/26/88/176022688.db2.gz VJFKIAGBPIGKLQ-JTQLQIEISA-N 1 0 254.280 2.068 10 0 CEAERO CC[C@H](c1cccs1)N1CCC[C@@H]([NH2+]C)C1=O ZINC000071031739 176022834 /nfs/dbraw/zinc/02/28/34/176022834.db2.gz GNCDBARHPUXZRA-GHMZBOCLSA-N 1 0 252.383 2.410 10 0 CEAERO CC(C)[NH2+][C@H]1CCN(C[C@H]2CCCC[C@@H]2C)C1=O ZINC000071031582 176022963 /nfs/dbraw/zinc/02/29/63/176022963.db2.gz VSTMVMOWTWPREU-MJBXVCDLSA-N 1 0 252.402 2.412 10 0 CEAERO Cc1ccc([C@@H](C)N2CC[C@H]([NH2+]C3CC3)C2=O)s1 ZINC000071032294 176023427 /nfs/dbraw/zinc/02/34/27/176023427.db2.gz LAZJOWPKVJEHKC-PWSUYJOCSA-N 1 0 264.394 2.470 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCN1c1ccccc1Br ZINC000071032399 176023434 /nfs/dbraw/zinc/02/34/34/176023434.db2.gz MKWHDJLOHSYMBF-LLVKDONJSA-N 1 0 295.180 2.306 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCN1c1ccccc1Cl ZINC000071033246 176023554 /nfs/dbraw/zinc/02/35/54/176023554.db2.gz UDWPOXWXBDSXSC-NSHDSACASA-N 1 0 250.729 2.197 10 0 CEAERO Cc1ccc(N2CC[C@@H]([NH2+]C(C)C)C2=O)cc1F ZINC000071033024 176023827 /nfs/dbraw/zinc/02/38/27/176023827.db2.gz YKRYHUMJXBMXLO-CYBMUJFWSA-N 1 0 250.317 2.237 10 0 CEAERO C[NH2+][C@H]1CCCN([C@H](C)c2ccc(C)s2)C1=O ZINC000071032299 176023831 /nfs/dbraw/zinc/02/38/31/176023831.db2.gz DIRFRAMRWMSUFP-MNOVXSKESA-N 1 0 252.383 2.328 10 0 CEAERO CCC[NH2+][C@H]1CCCN(CCc2ccc(OC)cc2)C1=O ZINC000071037669 176026785 /nfs/dbraw/zinc/02/67/85/176026785.db2.gz OLGGOPSZNRNCFC-INIZCTEOSA-N 1 0 290.407 2.228 10 0 CEAERO C[NH2+][C@@H]1CCCN(Cc2ccc(Cl)cc2)C1=O ZINC000071038662 176027073 /nfs/dbraw/zinc/02/70/73/176027073.db2.gz ZCLCBNJJSWZPAL-GFCCVEGCSA-N 1 0 252.745 2.050 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCCN1CC1CCCCC1 ZINC000071039783 176027252 /nfs/dbraw/zinc/02/72/52/176027252.db2.gz UGTNOZFJHKGZEE-AWEZNQCLSA-N 1 0 250.386 2.310 10 0 CEAERO Cc1cccc(CCN2CCC[C@@H]([NH2+]C3CC3)C2=O)c1 ZINC000071042009 176028611 /nfs/dbraw/zinc/02/86/11/176028611.db2.gz UVAHRSBLRBUQEZ-MRXNPFEDSA-N 1 0 272.392 2.281 10 0 CEAERO CCCC[C@H]([NH2+]C)c1ccc2c(c1)C(=O)N(C)C(=O)C2 ZINC000071139443 176037869 /nfs/dbraw/zinc/03/78/69/176037869.db2.gz ZHDBWNLIJVSYGV-AWEZNQCLSA-N 1 0 274.364 2.292 10 0 CEAERO C[NH2+]C[C@H]1CCN(c2c(F)c(F)c(F)c(F)c2F)C1 ZINC000071148417 176044004 /nfs/dbraw/zinc/04/40/04/176044004.db2.gz DPSBOKPBNXZAFD-ZCFIWIBFSA-N 1 0 280.240 2.428 10 0 CEAERO CC[C@H]1CCC[C@H](Sc2nnc(C[NH3+])n2C)C1 ZINC000071150243 176045256 /nfs/dbraw/zinc/04/52/56/176045256.db2.gz CSRWJPQQPZJBCL-UWVGGRQHSA-N 1 0 254.403 2.335 10 0 CEAERO CCOC(=O)[C@]1(N2CCC[NH2+]CC2)CCCC[C@@H]1CC ZINC000071162685 176046586 /nfs/dbraw/zinc/04/65/86/176046586.db2.gz UKSLZGMGHSDCCG-HOCLYGCPSA-N 1 0 282.428 2.184 10 0 CEAERO CCOC(=O)[C@]1(NCC[NH+](C)C)CCCC[C@H]1CC ZINC000071162796 176046979 /nfs/dbraw/zinc/04/69/79/176046979.db2.gz NBPQENWCZSGOBJ-HIFRSBDPSA-N 1 0 270.417 2.040 10 0 CEAERO CCCOc1cncc(N[C@H]2c3ccccc3C[C@H]2[NH3+])n1 ZINC000071177460 176055243 /nfs/dbraw/zinc/05/52/43/176055243.db2.gz VURQSOKZBHBIKG-CJNGLKHVSA-N 1 0 284.363 2.302 10 0 CEAERO CCCOc1cncc(N(CC)CC[NH2+]C(C)C)n1 ZINC000071176972 176055374 /nfs/dbraw/zinc/05/53/74/176055374.db2.gz QMWFNWWJMBIBAY-UHFFFAOYSA-N 1 0 266.389 2.090 10 0 CEAERO [NH3+]Cc1cnc(N2CCC[C@@H]2c2ccccc2)cn1 ZINC000071177819 176055604 /nfs/dbraw/zinc/05/56/04/176055604.db2.gz WKWJALWMPUVZDK-CQSZACIVSA-N 1 0 254.337 2.277 10 0 CEAERO NC(=[NH2+])c1cnc(Oc2ccc(F)c(Cl)c2)cn1 ZINC000071180514 176056543 /nfs/dbraw/zinc/05/65/43/176056543.db2.gz KPMFHLRPXAJJCB-UHFFFAOYSA-N 1 0 266.663 2.345 10 0 CEAERO CN1CC[C@H](Oc2ccc(Cl)cc2C[NH2+]C2CC2)C1=O ZINC000071182840 176057976 /nfs/dbraw/zinc/05/79/76/176057976.db2.gz BOVNSZAOHOVIGL-AWEZNQCLSA-N 1 0 294.782 2.202 10 0 CEAERO CC(C)[C@H]([NH2+][C@H]1CCN(C)C1=O)c1cccs1 ZINC000071183738 176059179 /nfs/dbraw/zinc/05/91/79/176059179.db2.gz CRPKEVKFGQPBCD-JQWIXIFHSA-N 1 0 252.383 2.266 10 0 CEAERO Cc1c(C)c(N2CCC[C@H]2C[NH+](C)C)nnc1Cl ZINC000071187119 176060816 /nfs/dbraw/zinc/06/08/16/176060816.db2.gz POYYPNOTWPZTAC-NSHDSACASA-N 1 0 268.792 2.277 10 0 CEAERO CN(C[C@H]1CC[N@H+](C)C1)c1ccc(C=O)cc1F ZINC000071189463 176065075 /nfs/dbraw/zinc/06/50/75/176065075.db2.gz OHSLXSMSTPITRV-LBPRGKRZSA-N 1 0 250.317 2.026 10 0 CEAERO Cc1noc2ncnc(NC[C@H]([NH3+])c3ccccc3)c12 ZINC000071194742 176075942 /nfs/dbraw/zinc/07/59/42/176075942.db2.gz MWYDWYPTLCIFSH-NSHDSACASA-N 1 0 269.308 2.038 10 0 CEAERO CC[NH2+][C@H]1CCCN(CCc2ccc(OC)c(OC)c2)C1 ZINC000071198239 176077239 /nfs/dbraw/zinc/07/72/39/176077239.db2.gz JHJZNOWWTQEOLK-HNNXBMFYSA-N 1 0 292.423 2.320 10 0 CEAERO CCC[NH2+][C@@H]1CCCN(Cc2ccc(OC)nc2)C1 ZINC000071200277 176077562 /nfs/dbraw/zinc/07/75/62/176077562.db2.gz RFPVRNJBZUFGGF-CQSZACIVSA-N 1 0 263.385 2.054 10 0 CEAERO O=c1ccc(C(F)(F)F)cn1C[C@H]1CCCC[NH2+]1 ZINC000071212038 176083756 /nfs/dbraw/zinc/08/37/56/176083756.db2.gz QAJFDWYGYZRCQG-SNVBAGLBSA-N 1 0 260.259 2.009 10 0 CEAERO Cc1ncsc1C[NH2+]C[C@@H]1Cc2ccccc2CN1 ZINC000071213740 176085329 /nfs/dbraw/zinc/08/53/29/176085329.db2.gz LPMGIGKVDFQJAJ-AWEZNQCLSA-N 1 0 273.405 2.256 10 0 CEAERO Cc1ncsc1CNC[C@@](C)([NH3+])c1ccccc1 ZINC000071213769 176085412 /nfs/dbraw/zinc/08/54/12/176085412.db2.gz KYTJWEOOISCXGU-CQSZACIVSA-N 1 0 261.394 2.415 10 0 CEAERO [NH3+]Cc1cc(F)ccc1CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000071263552 176096570 /nfs/dbraw/zinc/09/65/70/176096570.db2.gz UWOXPRCJLFVEGM-JKSUJKDBSA-N 1 0 278.371 2.428 10 0 CEAERO CC[N@H+](Cc1ccc(F)cc1C(N)=S)[C@@H](C)COC ZINC000071266152 176099801 /nfs/dbraw/zinc/09/98/01/176099801.db2.gz ZLGCGTMFPKKXJY-JTQLQIEISA-N 1 0 284.400 2.317 10 0 CEAERO COC[C@@H](O)C[NH2+][C@H](c1ccccc1)c1ccc(O)cc1 ZINC000071267605 176101339 /nfs/dbraw/zinc/10/13/39/176101339.db2.gz ZUVYUKYCJGJNPD-DLBZAZTESA-N 1 0 287.359 2.079 10 0 CEAERO C[C@@H]1CCCC[N@@H+]1CCC[NH2+]CCCCCC(=O)[O-] ZINC000071293005 176110906 /nfs/dbraw/zinc/11/09/06/176110906.db2.gz SALPXJPJRZJKJN-CQSZACIVSA-N 1 0 270.417 2.486 10 0 CEAERO CCCC[N@H+](CCO)CCCCCC(=O)OCC ZINC000071293157 176111139 /nfs/dbraw/zinc/11/11/39/176111139.db2.gz UFVGHMRHFMAVQP-UHFFFAOYSA-N 1 0 259.390 2.204 10 0 CEAERO CC[C@H]([NH2+]C[C@H](O)C1CC1)c1ccc2c(c1)CCO2 ZINC000071302303 176114297 /nfs/dbraw/zinc/11/42/97/176114297.db2.gz HZNHCDKWCRMGRG-GJZGRUSLSA-N 1 0 261.365 2.433 10 0 CEAERO c1ccc2c(c1)C[C@@H](CNC1=[NH+]C[C@H](C3CC3)S1)O2 ZINC000071307911 176116537 /nfs/dbraw/zinc/11/65/37/176116537.db2.gz NEQJHVKHBUOITL-GXTWGEPZSA-N 1 0 274.389 2.461 10 0 CEAERO CCN(CCCC(=O)Nc1cccc(C)c1)[C@H]1CC[NH2+]C1 ZINC000071313093 176119800 /nfs/dbraw/zinc/11/98/00/176119800.db2.gz HQUNQINXYZQGFA-INIZCTEOSA-N 1 0 289.423 2.398 10 0 CEAERO CCN(CCOc1cc(C)ccc1C)[C@@H]1CC[NH2+]C1 ZINC000071313924 176120577 /nfs/dbraw/zinc/12/05/77/176120577.db2.gz ANHCPVMIXQQYKN-OAHLLOKOSA-N 1 0 262.397 2.366 10 0 CEAERO CCCN(Cc1nc2ccccc2[nH]1)[C@H]1CC[NH2+]C1 ZINC000071331392 176124662 /nfs/dbraw/zinc/12/46/62/176124662.db2.gz CVMYJBSPGGASBP-LBPRGKRZSA-N 1 0 258.369 2.137 10 0 CEAERO C[C@H]1CCC[NH2+][C@H]1CNC(=O)C(C)(C)c1ccccc1 ZINC000071338655 176129075 /nfs/dbraw/zinc/12/90/75/176129075.db2.gz PWWCOHSCSIKNAN-ZFWWWQNUSA-N 1 0 274.408 2.469 10 0 CEAERO Cc1cc(C(=O)NC[C@H]2[NH2+]CCC[C@@H]2C)ccc1F ZINC000071338866 176129550 /nfs/dbraw/zinc/12/95/50/176129550.db2.gz RQNQKMGEYQNVLH-IINYFYTJSA-N 1 0 264.344 2.252 10 0 CEAERO CCOCCN1CC(C)(C)[NH2+]C[C@H]1c1ccccc1 ZINC000071342927 176130602 /nfs/dbraw/zinc/13/06/02/176130602.db2.gz LNXCUSWCOBBNIW-HNNXBMFYSA-N 1 0 262.397 2.448 10 0 CEAERO COCCOCCN1CC(C)(C)[NH2+]C[C@@H]1c1ccccc1 ZINC000071342959 176130614 /nfs/dbraw/zinc/13/06/14/176130614.db2.gz SORRCPFUUMTTJB-MRXNPFEDSA-N 1 0 292.423 2.075 10 0 CEAERO CCC[C@H]1C[NH2+]C(C)(C)CN1Cc1cccc(OC)n1 ZINC000071342369 176130624 /nfs/dbraw/zinc/13/06/24/176130624.db2.gz ILXMBENQNUCMPR-AWEZNQCLSA-N 1 0 277.412 2.443 10 0 CEAERO CC[C@H]1CN(CCOCC(F)(F)F)[C@H](C(C)C)C[NH2+]1 ZINC000071343684 176130962 /nfs/dbraw/zinc/13/09/62/176130962.db2.gz IUOBKSQRTBLGRC-RYUDHWBXSA-N 1 0 282.350 2.274 10 0 CEAERO CC[C@@H]1CN(Cc2cnn(C)c2)C2(CCCCC2)C[NH2+]1 ZINC000071345529 176131361 /nfs/dbraw/zinc/13/13/61/176131361.db2.gz DKPPPQKPHFEZOS-OAHLLOKOSA-N 1 0 276.428 2.307 10 0 CEAERO CCOCCN1C[C@@H](C(C)(C)C)[NH2+]C[C@@H]1C1CC1 ZINC000071347783 176131785 /nfs/dbraw/zinc/13/17/85/176131785.db2.gz STMCICFLFDMKTN-KGLIPLIRSA-N 1 0 254.418 2.121 10 0 CEAERO C[C@H]1CN[C@H](C(C)(C)C)C[N@@H+]1CC1CCOCC1 ZINC000071345954 176131891 /nfs/dbraw/zinc/13/18/91/176131891.db2.gz KYRXZFBVTUUVNV-JSGCOSHPSA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@@H](C(C)(C)C)CN1CCn1cccn1 ZINC000071348720 176132832 /nfs/dbraw/zinc/13/28/32/176132832.db2.gz KFPKZLVBMRGAMT-ZBFHGGJFSA-N 1 0 278.444 2.372 10 0 CEAERO CC(C)C[C@H]1CN(CCn2cccn2)[C@H](C(C)C)C[NH2+]1 ZINC000071350552 176133317 /nfs/dbraw/zinc/13/33/17/176133317.db2.gz VNBRNRPQGUWFRW-HOTGVXAUSA-N 1 0 278.444 2.228 10 0 CEAERO CCC[C@H]1C[NH2+][C@H](CC(C)C)CN1Cc1ncccn1 ZINC000071350276 176133446 /nfs/dbraw/zinc/13/34/46/176133446.db2.gz XEDZVBSEVVJLQY-CABCVRRESA-N 1 0 276.428 2.465 10 0 CEAERO C[C@H]1C[NH2+][C@H](Cc2ccccc2)CN1CC(F)(F)F ZINC000071352570 176135657 /nfs/dbraw/zinc/13/56/57/176135657.db2.gz AHWMDIICEIJFJD-WCQYABFASA-N 1 0 272.314 2.454 10 0 CEAERO CC[C@H](C)[C@H]1CN(CCn2ccnc2C)C(C)(C)C[NH2+]1 ZINC000071355745 176136587 /nfs/dbraw/zinc/13/65/87/176136587.db2.gz QSHALNGHVUVYJZ-DZGCQCFKSA-N 1 0 278.444 2.290 10 0 CEAERO COCCN1CC2(CCCC2)[NH2+]C[C@H]1C(C)(C)C ZINC000071358848 176137164 /nfs/dbraw/zinc/13/71/64/176137164.db2.gz NBTOOLCZUAQKEH-ZDUSSCGKSA-N 1 0 254.418 2.266 10 0 CEAERO CC(C)[C@@H]1C[NH2+]C2(CCCC2)CN1Cc1ncccn1 ZINC000071358494 176137548 /nfs/dbraw/zinc/13/75/48/176137548.db2.gz ZKIIFWMNVDFAFI-AWEZNQCLSA-N 1 0 274.412 2.219 10 0 CEAERO CC[C@@]1(C)CN(Cc2cnn(C)c2)[C@H](C(C)(C)C)C[NH2+]1 ZINC000071357447 176137610 /nfs/dbraw/zinc/13/76/10/176137610.db2.gz YKACGGBETZDPTD-HOCLYGCPSA-N 1 0 278.444 2.409 10 0 CEAERO c1cn(CCC[N@@H+]2CC3(CCCC3)NC[C@@H]2C2CC2)cn1 ZINC000071358668 176137630 /nfs/dbraw/zinc/13/76/30/176137630.db2.gz LWSGNHQGMPNGKL-MRXNPFEDSA-N 1 0 288.439 2.270 10 0 CEAERO CCn1c(C[NH3+])nnc1SCc1ccnc(Cl)c1 ZINC000071375046 176140718 /nfs/dbraw/zinc/14/07/18/176140718.db2.gz HKLMAZUZMMCTGK-UHFFFAOYSA-N 1 0 283.788 2.097 10 0 CEAERO CCC(C)(C)NC(=O)[C@@H](C)NCC[N@H+](C)C1CCCC1 ZINC000071377370 176141691 /nfs/dbraw/zinc/14/16/91/176141691.db2.gz HLAJALFQIRBGPH-CYBMUJFWSA-N 1 0 283.460 2.144 10 0 CEAERO C[NH2+]Cc1ccc(O[C@H]2CCOC2=O)c(C(F)(F)F)c1 ZINC000071398545 176151705 /nfs/dbraw/zinc/15/17/05/176151705.db2.gz WIJYRSGCXGWMRO-NSHDSACASA-N 1 0 289.253 2.119 10 0 CEAERO [NH3+]Cc1ccc(O[C@H]2CCC[C@@H]2O)c(C(F)(F)F)c1 ZINC000071398358 176151860 /nfs/dbraw/zinc/15/18/60/176151860.db2.gz YBWBBIYPFORJGY-JQWIXIFHSA-N 1 0 275.270 2.456 10 0 CEAERO C[NH2+]Cc1cc(C)ccc1O[C@@H](C)C(=O)NCC(C)C ZINC000071403653 176154818 /nfs/dbraw/zinc/15/48/18/176154818.db2.gz IJYBKWMTTIVHDF-ZDUSSCGKSA-N 1 0 278.396 2.254 10 0 CEAERO CCC(C)(C)NC(=O)COc1ccc(C)cc1CC[NH3+] ZINC000071411583 176157028 /nfs/dbraw/zinc/15/70/28/176157028.db2.gz QEUDPHYFBRBXFX-UHFFFAOYSA-N 1 0 278.396 2.180 10 0 CEAERO COC(=O)CCCOc1ccc(C)cc1C[C@H](C)[NH3+] ZINC000071411646 176157125 /nfs/dbraw/zinc/15/71/25/176157125.db2.gz OZLHNJBEWXINCZ-LBPRGKRZSA-N 1 0 265.353 2.217 10 0 CEAERO Cc1ccc(OCC(=O)N[C@@H](C)C(C)C)c(C[C@H](C)[NH3+])c1 ZINC000071411818 176157374 /nfs/dbraw/zinc/15/73/74/176157374.db2.gz NNIXDNCMIFPQPW-KBPBESRZSA-N 1 0 292.423 2.424 10 0 CEAERO CC(C)Oc1cccc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000071412890 176158142 /nfs/dbraw/zinc/15/81/42/176158142.db2.gz UTHQTLBHAGKWJM-SWLSCSKDSA-N 1 0 276.380 2.202 10 0 CEAERO COc1ccc([C@H](C[NH3+])N2CCCC2)cc1Cl ZINC000071576292 176203789 /nfs/dbraw/zinc/20/37/89/176203789.db2.gz ZASWHDTUCWEJAP-LBPRGKRZSA-N 1 0 254.761 2.444 10 0 CEAERO COc1ccc(Cn2cccc2CC[NH3+])cc1OC ZINC000071586449 176212725 /nfs/dbraw/zinc/21/27/25/176212725.db2.gz TWCMDFNIBQNQRC-UHFFFAOYSA-N 1 0 260.337 2.055 10 0 CEAERO COc1ccc([C@H](O)[C@@H](C)[NH2+]C(C)C)c(OC)c1C ZINC000071599197 176223403 /nfs/dbraw/zinc/22/34/03/176223403.db2.gz ZIRJXZVICYOYPL-BXUZGUMPSA-N 1 0 267.369 2.432 10 0 CEAERO C[C@H]([NH3+])CS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000071599563 176224759 /nfs/dbraw/zinc/22/47/59/176224759.db2.gz MAROIOFPEJNAES-LURJTMIESA-N 1 0 268.165 2.114 10 0 CEAERO O=C1C[NH2+]CCCN1Cc1ccc(Cl)cc1Cl ZINC000071612518 176232677 /nfs/dbraw/zinc/23/26/77/176232677.db2.gz ZKEXEDZMQQYZAX-UHFFFAOYSA-N 1 0 273.163 2.315 10 0 CEAERO COc1ccc([C@H](O)[C@H]([NH3+])C(C)C)cc1Br ZINC000071644294 176239769 /nfs/dbraw/zinc/23/97/69/176239769.db2.gz PKPMKXCYDDKNRN-NEPJUHHUSA-N 1 0 288.185 2.474 10 0 CEAERO CN(c1cnn(-c2ccccc2)c1)C1CC[NH+](C)CC1 ZINC000071711312 176248603 /nfs/dbraw/zinc/24/86/03/176248603.db2.gz DVEHOACVGSPIOP-UHFFFAOYSA-N 1 0 270.380 2.403 10 0 CEAERO CC(C)(C)[C@@H]([NH3+])C(=O)NCc1ccc(Cl)cc1 ZINC000072118630 176319324 /nfs/dbraw/zinc/31/93/24/176319324.db2.gz LRVUWJBUVBABHX-NSHDSACASA-N 1 0 254.761 2.330 10 0 CEAERO COc1ccc([C@H]2Cc3n[nH]c(C)c3[C@@H]([NH3+])C2)cc1 ZINC000072415380 176399232 /nfs/dbraw/zinc/39/92/32/176399232.db2.gz CAWAASIZQVUZHW-YPMHNXCESA-N 1 0 257.337 2.457 10 0 CEAERO Cc1nsc(N2CCC([C@H]3CCC[NH2+]C3)CC2)n1 ZINC000656608085 415784655 /nfs/dbraw/zinc/78/46/55/415784655.db2.gz HRDIKRSFHXRJJE-LBPRGKRZSA-N 1 0 266.414 2.063 10 0 CEAERO O=C(CCCC[n+]1ccccc1)Nc1cccnc1 ZINC000075305802 176686166 /nfs/dbraw/zinc/68/61/66/176686166.db2.gz BJJWZGSFRGINRQ-UHFFFAOYSA-O 1 0 256.329 2.178 10 0 CEAERO C[NH2+]CCN(C)Cc1cc(Cl)c(C)cc1OC ZINC000076306105 176977008 /nfs/dbraw/zinc/97/70/08/176977008.db2.gz JISDMOQOSCMPJP-UHFFFAOYSA-N 1 0 256.777 2.308 10 0 CEAERO [NH3+]CCC(=O)OCCc1ccc(Cl)c(Cl)c1 ZINC000076352131 176996833 /nfs/dbraw/zinc/99/68/33/176996833.db2.gz FDRHFGHQURDEDV-UHFFFAOYSA-N 1 0 262.136 2.428 10 0 CEAERO C[NH2+]CC[C@H](O)CN(C)c1c(C)cc(C)cc1Cl ZINC000076409106 177020024 /nfs/dbraw/zinc/02/00/24/177020024.db2.gz KBHHEDCJZQXYMC-LBPRGKRZSA-N 1 0 270.804 2.363 10 0 CEAERO CCC[NH+](CCC)CCCNC(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000076554287 177037826 /nfs/dbraw/zinc/03/78/26/177037826.db2.gz MRWYJMDSCOAZFD-CABCVRRESA-N 1 0 299.459 2.365 10 0 CEAERO CCCN(C(=O)C[NH3+])c1ccccc1OC(C)C ZINC000076654917 177045017 /nfs/dbraw/zinc/04/50/17/177045017.db2.gz PIOZUYJOOATWHQ-UHFFFAOYSA-N 1 0 250.342 2.176 10 0 CEAERO CC(C)NC(=O)CC[C@@H](C[NH3+])c1cccc(F)c1 ZINC000076656720 177046117 /nfs/dbraw/zinc/04/61/17/177046117.db2.gz MKRBXUKHRWUPKC-LBPRGKRZSA-N 1 0 252.333 2.173 10 0 CEAERO Cc1ccc(CN(CC[NH3+])Cc2ccncc2)cc1 ZINC000076660902 177048509 /nfs/dbraw/zinc/04/85/09/177048509.db2.gz PLTMBNRMZQUCDA-UHFFFAOYSA-N 1 0 255.365 2.351 10 0 CEAERO COc1ccccc1OC[C@H](C[NH3+])c1ccncc1 ZINC000076666179 177050912 /nfs/dbraw/zinc/05/09/12/177050912.db2.gz KIAUQCGCLIHRSO-ZDUSSCGKSA-N 1 0 258.321 2.212 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@H](C[NH3+])C[C@H]21 ZINC000076695472 177059967 /nfs/dbraw/zinc/05/99/67/177059967.db2.gz AMMDZGZPKLTFJI-IJLUTSLNSA-N 1 0 254.374 2.371 10 0 CEAERO CCc1nc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)cs1 ZINC000077208073 177234928 /nfs/dbraw/zinc/23/49/28/177234928.db2.gz ZDAMZUQQKBJXNR-JQWIXIFHSA-N 1 0 254.399 2.346 10 0 CEAERO O=C(COC1CC[NH2+]CC1)c1cc2ccccc2o1 ZINC000077252363 177240168 /nfs/dbraw/zinc/24/01/68/177240168.db2.gz WZRSBIWHVWRKIN-UHFFFAOYSA-N 1 0 259.305 2.384 10 0 CEAERO 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[NH3+]C[C@@H]1CCCN1C(=O)Nc1ccccc1Cl ZINC000131672397 274948605 /nfs/dbraw/zinc/94/86/05/274948605.db2.gz IMGGRWWWELHDTA-VIFPVBQESA-N 1 0 253.733 2.295 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]2CN(c3nnc(C(F)(F)F)s3)C[C@H]21 ZINC000228810068 274958562 /nfs/dbraw/zinc/95/85/62/274958562.db2.gz WDLDVECBQJPADS-XLPZGREQSA-N 1 0 292.330 2.121 10 0 CEAERO O=c1c(-c2cccs2)ccc2n1C[C@@H]1C[NH2+]C[C@H]2C1 ZINC000004237167 275042893 /nfs/dbraw/zinc/04/28/93/275042893.db2.gz NUGGXSMWPXNATG-WDEREUQCSA-N 1 0 272.373 2.284 10 0 CEAERO c1nc(CN(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)co1 ZINC000262020390 275075443 /nfs/dbraw/zinc/07/54/43/275075443.db2.gz WDVGRNBULUWIHM-INIZCTEOSA-N 1 0 286.379 2.214 10 0 CEAERO CC1(C)CCc2ccccc2[C@@H]1NC(=O)C1C[NH2+]C1 ZINC000263315635 275832736 /nfs/dbraw/zinc/83/27/36/275832736.db2.gz QDPWJPUEHKYLDZ-AWEZNQCLSA-N 1 0 258.365 2.036 10 0 CEAERO CC1(C)CN(c2nnc(C(F)(F)F)s2)CC[C@@H]1[NH3+] ZINC000261562731 275852241 /nfs/dbraw/zinc/85/22/41/275852241.db2.gz GPHQJPMDTMJLHK-LURJTMIESA-N 1 0 280.319 2.121 10 0 CEAERO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H]1CCc2ncnn2C1 ZINC000182594770 275915116 /nfs/dbraw/zinc/91/51/16/275915116.db2.gz AMMZLMYBALCDJX-MJBXVCDLSA-N 1 0 260.385 2.175 10 0 CEAERO CC(C)n1ccnc1C[N@@H+]1CCC[C@H]1CCCO ZINC000304260805 276085939 /nfs/dbraw/zinc/08/59/39/276085939.db2.gz BSSIXPVFLHQVHT-ZDUSSCGKSA-N 1 0 251.374 2.201 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CCCOCC(F)(F)F ZINC000175359184 276169932 /nfs/dbraw/zinc/16/99/32/276169932.db2.gz PCEGHIMNBOSUQX-GFCCVEGCSA-N 1 0 282.350 2.372 10 0 CEAERO CN1CCO[C@H](C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000091666921 276940168 /nfs/dbraw/zinc/94/01/68/276940168.db2.gz JSQMHZHQBTUZDZ-QJPTWQEYSA-N 1 0 280.334 2.028 10 0 CEAERO CN1CCO[C@@H](C[NH2+]C2CCC3(CCCC3)CC2)C1 ZINC000129432475 277119389 /nfs/dbraw/zinc/11/93/89/277119389.db2.gz OMQBBCTXTKJEHP-HNNXBMFYSA-N 1 0 266.429 2.410 10 0 CEAERO COC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000002546128 277136825 /nfs/dbraw/zinc/13/68/25/277136825.db2.gz 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BIXZRSWHLWPBIO-DOTOQJQBSA-N 1 0 273.424 2.491 10 0 CEAERO CCCCOC[C@H](O)C[NH2+]C1CCC2(CC2)CC1 ZINC000576578212 314289381 /nfs/dbraw/zinc/28/93/81/314289381.db2.gz HGFVOPGRXKVXSD-CQSZACIVSA-N 1 0 255.402 2.476 10 0 CEAERO CC(C)[NH2+]CCCNc1ncnc2sccc21 ZINC000576689475 314301173 /nfs/dbraw/zinc/30/11/73/314301173.db2.gz GWQWEFFEMVQUQV-UHFFFAOYSA-N 1 0 250.371 2.491 10 0 CEAERO CCc1cc(CC)nc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000380333552 321829602 /nfs/dbraw/zinc/82/96/02/321829602.db2.gz SIEWMDJALSODOC-BETUJISGSA-N 1 0 274.412 2.037 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000384291712 321851451 /nfs/dbraw/zinc/85/14/51/321851451.db2.gz WIHHCVZCLRCLDK-XJKSGUPXSA-N 1 0 298.390 2.258 10 0 CEAERO C[C@@H]1CCCN([C@@H]2C[NH2+]C[C@H](C(=O)OC(C)(C)C)C2)C1 ZINC000536960845 330384261 /nfs/dbraw/zinc/38/42/61/330384261.db2.gz UEYACEUEEIQLQV-MCIONIFRSA-N 1 0 282.428 2.038 10 0 CEAERO C[C@@H]1C[C@@]2(C[NH3+])C[N@H+](Cc3ccccc3)CC[C@@H]2O1 ZINC000536961255 330384311 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CEAERO CN[C@@](C)(C[C@H](C)[N@H+](C)C1CCC(C)CC1)C(=O)OC ZINC000068637529 522418200 /nfs/dbraw/zinc/41/82/00/522418200.db2.gz TYSSYZVNSFDRQW-HTHKGWQXSA-N 1 0 284.444 2.427 10 0 CEAERO C[NH2+][C@](C)(CCCCOc1ccc(C)cc1)C(N)=O ZINC000045476564 522513901 /nfs/dbraw/zinc/51/39/01/522513901.db2.gz WNXKSATZYUXSLQ-OAHLLOKOSA-N 1 0 264.369 2.008 10 0 CEAERO CC[C@H]1CO[C@H](C)CN1c1cccc(F)c1C[NH3+] ZINC000093395229 536171149 /nfs/dbraw/zinc/17/11/49/536171149.db2.gz ZNYPUEZHHUFQAC-MNOVXSKESA-N 1 0 252.333 2.288 10 0 CEAERO C[C@H](OC[C@@H]1CCCCO1)C(=O)Nc1ccccc1C[NH3+] ZINC000019391117 518183789 /nfs/dbraw/zinc/18/37/89/518183789.db2.gz QGNQYOINSHFEGS-JSGCOSHPSA-N 1 0 292.379 2.058 10 0 CEAERO Brc1cncc(OC[C@@H]2CCC[NH2+]C2)c1 ZINC000070043731 518233916 /nfs/dbraw/zinc/23/39/16/518233916.db2.gz YZRDIHHZRHXBGD-SECBINFHSA-N 1 0 271.158 2.223 10 0 CEAERO CC(C)(C)CC[NH2+]CCn1cnc2ccccc2c1=O ZINC000053526051 518652991 /nfs/dbraw/zinc/65/29/91/518652991.db2.gz DQEPJTUUSVHSNS-UHFFFAOYSA-N 1 0 273.380 2.422 10 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RSDICIPKQOPQMQ-UHFFFAOYSA-N 1 0 259.147 2.221 10 0 CEAERO CC(C)[NH2+]CCS(=O)(=O)N1c2ccccc2CC[C@H]1C ZINC000049632261 519722271 /nfs/dbraw/zinc/72/22/71/519722271.db2.gz XPFSLFXWSIJAJX-CYBMUJFWSA-N 1 0 296.436 2.156 10 0 CEAERO CC(C)[NH2+]CCc1nnc([C@@H]2COc3ccccc3O2)o1 ZINC000050620227 519722754 /nfs/dbraw/zinc/72/27/54/519722754.db2.gz KPZLIMXONALMRL-ZDUSSCGKSA-N 1 0 289.335 2.123 10 0 CEAERO CC(C)[NH2+]C[C@H]1CC[C@H](Cn2cc(Cl)cn2)O1 ZINC000052577278 519725803 /nfs/dbraw/zinc/72/58/03/519725803.db2.gz SNDIZVFVNQYWAN-VXGBXAGGSA-N 1 0 257.765 2.082 10 0 CEAERO CC(C)[NH2+]Cc1ccc(CN2CCO[C@@H](C)C2)cc1 ZINC000052382662 519726895 /nfs/dbraw/zinc/72/68/95/519726895.db2.gz CMILCUPKLDWBAJ-AWEZNQCLSA-N 1 0 262.397 2.405 10 0 CEAERO CC(C)[NH2+]Cc1cccc(OC2CCOCC2)n1 ZINC000051522165 519727117 /nfs/dbraw/zinc/72/71/17/519727117.db2.gz ZLTFAGUSTKDRET-UHFFFAOYSA-N 1 0 250.342 2.137 10 0 CEAERO CC(C)CN1CC[NH+]([C@@H]2C[C@H](C(C)C)CC[C@@H]2O)CC1 ZINC000055080831 519728147 /nfs/dbraw/zinc/72/81/47/519728147.db2.gz NLOYSWIVXNNSEF-ZACQAIPSSA-N 1 0 282.472 2.446 10 0 CEAERO CC(C)C[NH+]1CCN([C@H]2CCc3ccccc3[C@@H]2O)CC1 ZINC000055080765 519728268 /nfs/dbraw/zinc/72/82/68/519728268.db2.gz OYMBEJYFHGKIRS-ROUUACIJSA-N 1 0 288.435 2.308 10 0 CEAERO CC(C)[NH2+]Cc1nnnn1[C@@H](C)c1ccc(Cl)s1 ZINC000054747308 519729636 /nfs/dbraw/zinc/72/96/36/519729636.db2.gz WFPRPZRASVIUTR-QMMMGPOBSA-N 1 0 285.804 2.495 10 0 CEAERO CC(C)[NH2+]Cc1nnnn1Cc1cccc2ccccc21 ZINC000054746884 519729795 /nfs/dbraw/zinc/72/97/95/519729795.db2.gz VMWWVFLNKDXOQM-UHFFFAOYSA-N 1 0 281.363 2.373 10 0 CEAERO CC(=O)Nc1ccc([C@H](O)[C@H]([NH3+])c2ccccc2)cc1 ZINC000054682906 519734444 /nfs/dbraw/zinc/73/44/44/519734444.db2.gz ZLQSURNZDYZUTF-CVEARBPZSA-N 1 0 270.332 2.378 10 0 CEAERO CC(C)[NH2+][C@@H](CCSc1cccs1)C(N)=O ZINC000062597303 519734768 /nfs/dbraw/zinc/73/47/68/519734768.db2.gz PMAIOCDANCYQQZ-VIFPVBQESA-N 1 0 258.412 2.082 10 0 CEAERO CC(C)[NH2+][C@](C)(C[C@H](C)n1cnc2ccccc21)C(N)=O ZINC000068648955 519740374 /nfs/dbraw/zinc/74/03/74/519740374.db2.gz NYBUAJKEDZIMSG-BLLLJJGKSA-N 1 0 288.395 2.229 10 0 CEAERO CC(C)C[NH2+]Cc1ccccc1N1CCC[C@@H](O)C1 ZINC000062737143 519747627 /nfs/dbraw/zinc/74/76/27/519747627.db2.gz HZWVGLSPYMXLAR-OAHLLOKOSA-N 1 0 262.397 2.393 10 0 CEAERO CC(C)C[NH2+]Cc1ccccc1N1CCS(=O)CC1 ZINC000062737422 519747738 /nfs/dbraw/zinc/74/77/38/519747738.db2.gz UZNOVCZKWRHJDH-UHFFFAOYSA-N 1 0 280.437 2.001 10 0 CEAERO CC(C)C[NH2+]Cc1nnnn1[C@H]1CCC[C@@H](C)C1 ZINC000054745214 519748684 /nfs/dbraw/zinc/74/86/84/519748684.db2.gz MUJZTRUDGBZHAZ-NEPJUHHUSA-N 1 0 251.378 2.170 10 0 CEAERO CC(C)C[C@@H](C[NH+](C)C)Nc1cc(C(N)=S)ccn1 ZINC000049560087 519776030 /nfs/dbraw/zinc/77/60/30/519776030.db2.gz UNIOOTGAATUSOK-LBPRGKRZSA-N 1 0 280.441 2.104 10 0 CEAERO CC(C)[C@@H](C)N(C)Cc1[nH+]c(NN)ccc1Cl ZINC000061631005 519791353 /nfs/dbraw/zinc/79/13/53/519791353.db2.gz MAIBGUBPXYRHKK-SECBINFHSA-N 1 0 256.781 2.497 10 0 CEAERO CC(C)[C@@H](CN(C)C)[NH2+]C[C@@H](O)c1ccccc1F 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CC(C)c1ccc([C@H]([NH3+])CN2CCN(C)C2=O)cc1 ZINC000052885707 519840069 /nfs/dbraw/zinc/84/00/69/519840069.db2.gz MTRAALCAUKBPNI-CQSZACIVSA-N 1 0 261.369 2.177 10 0 CEAERO CC(C)c1ccc([C@H](O)C[NH2+]CCn2cccn2)cc1 ZINC000049076562 519840101 /nfs/dbraw/zinc/84/01/01/519840101.db2.gz XGUFVWWMKXPNLI-MRXNPFEDSA-N 1 0 273.380 2.330 10 0 CEAERO CCC[NH+]1CCC(NC(=O)c2cccc(N)c2C)CC1 ZINC000049550836 519846432 /nfs/dbraw/zinc/84/64/32/519846432.db2.gz CGMAXNSBCMKGJG-UHFFFAOYSA-N 1 0 275.396 2.181 10 0 CEAERO CCC[NH+]1CCC(NC(=O)c2ccnc(NCC)c2)CC1 ZINC000050790064 519846522 /nfs/dbraw/zinc/84/65/22/519846522.db2.gz AZEWUHQQUBGUKU-UHFFFAOYSA-N 1 0 290.411 2.118 10 0 CEAERO CCC[NH+]1CCC(Nc2ccc(N)cc2C(=O)OC)CC1 ZINC000049561981 519847485 /nfs/dbraw/zinc/84/74/85/519847485.db2.gz MECDLIIORITGTL-UHFFFAOYSA-N 1 0 291.395 2.342 10 0 CEAERO CC(C)c1ccn(-c2ccc(C[NH2+]C3CC3)nn2)n1 ZINC000052885341 519848294 /nfs/dbraw/zinc/84/82/94/519848294.db2.gz CHFNNZNDSALIJG-UHFFFAOYSA-N 1 0 257.341 2.038 10 0 CEAERO 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520070266 /nfs/dbraw/zinc/07/02/66/520070266.db2.gz SPQNFEHHAWMRGL-YMAMQOFZSA-N 1 0 283.460 2.131 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(-n2ccc(C(=O)N(C)C)n2)cc1 ZINC000070328248 520073640 /nfs/dbraw/zinc/07/36/40/520073640.db2.gz QYCFNJHHEXWAIZ-LBPRGKRZSA-N 1 0 286.379 2.245 10 0 CEAERO CCC[NH2+][C@H](CN(C)C[C@@H]1CCCOC1)C1CC1 ZINC000069075831 520080881 /nfs/dbraw/zinc/08/08/81/520080881.db2.gz NWOWHVPETJKHDT-DZGCQCFKSA-N 1 0 254.418 2.123 10 0 CEAERO CC[NH2+][C@@H](C)c1nnn(-c2ccccc2COC)c1C ZINC000049511489 520081657 /nfs/dbraw/zinc/08/16/57/520081657.db2.gz NYLCQVZYHQAKAO-NSHDSACASA-N 1 0 274.368 2.393 10 0 CEAERO CCN[C@@H](CC[N@H+](C)[C@@H]1CCCC[C@@H]1C)C(=O)OC ZINC000062522732 520087081 /nfs/dbraw/zinc/08/70/81/520087081.db2.gz MEOUCJBUSCNUSI-MELADBBJSA-N 1 0 270.417 2.038 10 0 CEAERO CCC[NH2+][C@H](c1nccn1C)c1ccc2nccnc2c1 ZINC000061418660 520090602 /nfs/dbraw/zinc/09/06/02/520090602.db2.gz GYJVVSXKISPWPB-HNNXBMFYSA-N 1 0 281.363 2.452 10 0 CEAERO CC[NH2+][C@@H](CCOc1ccccc1C(C)C)C(N)=O 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CCC[NH2+][C@](C)(C[C@H](C)n1ncc2ccccc21)C(N)=O ZINC000068649731 520117607 /nfs/dbraw/zinc/11/76/07/520117607.db2.gz MLFFRURSZACXOB-BLLLJJGKSA-N 1 0 288.395 2.231 10 0 CEAERO CC[NH2+][C@@H]1CCc2c1cccc2OCCS(=O)(=O)CC ZINC000062799610 520121867 /nfs/dbraw/zinc/12/18/67/520121867.db2.gz VJKRPONAHXEOOG-CQSZACIVSA-N 1 0 297.420 2.097 10 0 CEAERO CCC[NH2+][C@](COc1ccc(C)c(C)c1)(C(N)=O)C1CC1 ZINC000069197325 520124570 /nfs/dbraw/zinc/12/45/70/520124570.db2.gz TWRVXRBDTVDEQG-KRWDZBQOSA-N 1 0 290.407 2.316 10 0 CEAERO CCCNc1cc(C(=O)N2CCC[C@@H]2C[NH+](C)C)ccn1 ZINC000061656037 520129164 /nfs/dbraw/zinc/12/91/64/520129164.db2.gz KNGCKSPVQSFTPZ-CQSZACIVSA-N 1 0 290.411 2.070 10 0 CEAERO CCCNc1cc(C[NH+]2CCSCC2)ccn1 ZINC000052709551 520135024 /nfs/dbraw/zinc/13/50/24/520135024.db2.gz LIZMCHSTQWVDGI-UHFFFAOYSA-N 1 0 251.399 2.452 10 0 CEAERO CCN[C@@](C)(C[C@H](C)[N@H+](C)CC1CCCC1)C(=O)OC ZINC000068647007 520142249 /nfs/dbraw/zinc/14/22/49/520142249.db2.gz SVVYLYNBGYLDNV-BBRMVZONSA-N 1 0 284.444 2.428 10 0 CEAERO CC[NH2+][C@@](C)(C[C@H](C)Oc1ccc(OCC)cc1)C(N)=O ZINC000068655108 520147608 /nfs/dbraw/zinc/14/76/08/520147608.db2.gz PKPWRQBYXYHQJX-LRDDRELGSA-N 1 0 294.395 2.096 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N(CC(F)(F)F)C(C)C ZINC000061272315 520163742 /nfs/dbraw/zinc/16/37/42/520163742.db2.gz YMNYEAPMBJEBCT-SECBINFHSA-N 1 0 254.296 2.174 10 0 CEAERO CC[NH2+][C@H](C)c1cccc(NC(=O)c2cc[nH]n2)c1 ZINC000062775433 520179421 /nfs/dbraw/zinc/17/94/21/520179421.db2.gz JGOJDRFWHGPVPJ-SNVBAGLBSA-N 1 0 258.325 2.333 10 0 CEAERO CC[NH2+][C@H](C)c1cccc(NC(=O)N2CCC[C@@H](O)C2)c1 ZINC000048969646 520179717 /nfs/dbraw/zinc/17/97/17/520179717.db2.gz FMRQHAMPJJNRRA-IUODEOHRSA-N 1 0 291.395 2.346 10 0 CEAERO CC[NH2+][C@H](CC[N@@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000062460989 520189722 /nfs/dbraw/zinc/18/97/22/520189722.db2.gz MTXVGNYKRQEYSA-ZIAGYGMSSA-N 1 0 268.401 2.094 10 0 CEAERO CCCNc1ncccc1CN(C)C1CC[NH+](C)CC1 ZINC000052717063 520193562 /nfs/dbraw/zinc/19/35/62/520193562.db2.gz BFBHWNPKILEDJZ-UHFFFAOYSA-N 1 0 276.428 2.430 10 0 CEAERO CC[NH2+][C@H]1CCC2(C[C@@H]1N(C)C(C)(C)CC)OCCO2 ZINC000069431380 520212172 /nfs/dbraw/zinc/21/21/72/520212172.db2.gz KYWUEBCWXBWCJS-KBPBESRZSA-N 1 0 284.444 2.381 10 0 CEAERO CC[NH2+][C@H]1COc2cc(OCc3cnn(C)c3)ccc21 ZINC000062804676 520220658 /nfs/dbraw/zinc/22/06/58/520220658.db2.gz QCPDXNNBUWECSO-AWEZNQCLSA-N 1 0 273.336 2.042 10 0 CEAERO CC[NH2+][C@H]1COc2cc(OCCOCC)ccc21 ZINC000062804570 520221472 /nfs/dbraw/zinc/22/14/72/520221472.db2.gz NOCAWKWUGIIPEX-ZDUSSCGKSA-N 1 0 251.326 2.145 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2CCC[C@@H]1S(C)(=O)=O ZINC000054930335 520222095 /nfs/dbraw/zinc/22/20/95/520222095.db2.gz QLMIXNYIYVIREE-KBPBESRZSA-N 1 0 267.394 2.087 10 0 CEAERO CCCOC(=O)c1ccc(NC(=O)C(C)(C)[NH2+]C)cc1 ZINC000061318558 520224437 /nfs/dbraw/zinc/22/44/37/520224437.db2.gz XTLCZEVEYIPSLT-UHFFFAOYSA-N 1 0 278.352 2.190 10 0 CEAERO CC[NH2+][C@](C)(CCCOc1ccccc1C)C(N)=O ZINC000045517183 520230153 /nfs/dbraw/zinc/23/01/53/520230153.db2.gz OHFJJQQUAMYAKE-OAHLLOKOSA-N 1 0 264.369 2.008 10 0 CEAERO CCNc1c(F)cc(C(=O)NCC(C)(C)[NH+](C)C)cc1F ZINC000063007033 520254147 /nfs/dbraw/zinc/25/41/47/520254147.db2.gz CNTHKPRNTLAJBP-UHFFFAOYSA-N 1 0 299.365 2.467 10 0 CEAERO CCO[C@@H](C[NH3+])CCSc1nc2ccccc2[nH]1 ZINC000062741924 520308931 /nfs/dbraw/zinc/30/89/31/520308931.db2.gz GIKURKMPRRNTLE-SNVBAGLBSA-N 1 0 265.382 2.409 10 0 CEAERO CCCOc1ccc(C[C@@H]([NH3+])CCC(=O)OC)cc1 ZINC000061893301 520377033 /nfs/dbraw/zinc/37/70/33/520377033.db2.gz ZZSJDFQCWPCXLM-ZDUSSCGKSA-N 1 0 265.353 2.298 10 0 CEAERO CCCC[N@H+](C)C[C@@](NC1CC1)(C(=O)OCC)C1CC1 ZINC000069088888 520413646 /nfs/dbraw/zinc/41/36/46/520413646.db2.gz GGKNVIWLOKWPFY-INIZCTEOSA-N 1 0 282.428 2.182 10 0 CEAERO CCN(CC(F)(F)F)C[C@]1(C[NH2+]C(C)C)CCOC1 ZINC000051250326 520420962 /nfs/dbraw/zinc/42/09/62/520420962.db2.gz UDCUUGRUXPSPGT-GFCCVEGCSA-N 1 0 282.350 2.275 10 0 CEAERO CCCOc1ccccc1OCC[C@H]([NH2+]C(C)C)C(N)=O ZINC000062544628 520483967 /nfs/dbraw/zinc/48/39/67/520483967.db2.gz AWDQJRWTJWFMSH-ZDUSSCGKSA-N 1 0 294.395 2.096 10 0 CEAERO CC1(C)CN([C@H](C[NH3+])CCc2ccccc2)CCO1 ZINC000061624698 520491482 /nfs/dbraw/zinc/49/14/82/520491482.db2.gz NHANFHYQPQJDRG-HNNXBMFYSA-N 1 0 262.397 2.057 10 0 CEAERO CCCOc1nc(N[C@@H](C[NH+](C)C)C(C)C)ccc1N ZINC000049194709 520496002 /nfs/dbraw/zinc/49/60/02/520496002.db2.gz NVBUNRCWEOEGCV-ZDUSSCGKSA-N 1 0 280.416 2.451 10 0 CEAERO CCCC[NH+](CCCC)C[C@](NC)(C(=O)OC)C1CC1 ZINC000069096558 520496368 /nfs/dbraw/zinc/49/63/68/520496368.db2.gz ZPHIXYLWDKXLLI-MRXNPFEDSA-N 1 0 284.444 2.430 10 0 CEAERO CC1(C)COCCN1[C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062710584 520506977 /nfs/dbraw/zinc/50/69/77/520506977.db2.gz CPONXHAUSXFWLG-LBPRGKRZSA-N 1 0 288.313 2.215 10 0 CEAERO CCO[C@H](C[NH3+])COc1ccc(Br)cc1 ZINC000062740419 520517641 /nfs/dbraw/zinc/51/76/41/520517641.db2.gz VZDYZQDLJYOAIU-LLVKDONJSA-N 1 0 274.158 2.192 10 0 CEAERO CCCC[N@H+](C[C@@](NC1CC1)(C(N)=O)C1CC1)[C@@H](C)CC ZINC000069191555 520541043 /nfs/dbraw/zinc/54/10/43/520541043.db2.gz RNULKFQCYXYIIN-GUYCJALGSA-N 1 0 295.471 2.273 10 0 CEAERO CCN(CC)C(=O)c1ccc(NC(=O)C(C)(C)[NH2+]C)cc1 ZINC000061318631 520550976 /nfs/dbraw/zinc/55/09/76/520550976.db2.gz OUYSZNZPAPWRJX-UHFFFAOYSA-N 1 0 291.395 2.105 10 0 CEAERO CC[NH+](CC)C1CCN(C(=O)c2ccc(N)c(F)c2)CC1 ZINC000054413230 520567841 /nfs/dbraw/zinc/56/78/41/520567841.db2.gz AGWVZKXDTLNTIM-UHFFFAOYSA-N 1 0 293.386 2.354 10 0 CEAERO CCC[C@@H](C)NC(=O)CN1c2ccccc2CC[C@@H]1C[NH3+] ZINC000063075444 520654550 /nfs/dbraw/zinc/65/45/50/520654550.db2.gz XVTSCLAMMCWZGR-UKRRQHHQSA-N 1 0 289.423 2.071 10 0 CEAERO CCC[C@@H](COc1cc(OC)cc(OC)c1)[NH2+]C ZINC000070142949 520709268 /nfs/dbraw/zinc/70/92/68/520709268.db2.gz IUOLSBRLPWSJHQ-NSHDSACASA-N 1 0 253.342 2.471 10 0 CEAERO CCC[C@@H]([NH3+])c1cc2[nH]c(=O)[nH]c2cc1Br ZINC000052094346 520727215 /nfs/dbraw/zinc/72/72/15/520727215.db2.gz QTZDRMGNTXOZLX-MRVPVSSYSA-N 1 0 284.157 2.419 10 0 CEAERO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc2c[nH]nc2c1 ZINC000061670734 520733286 /nfs/dbraw/zinc/73/32/86/520733286.db2.gz BCZGUOZOBJWFRD-NSHDSACASA-N 1 0 274.368 2.023 10 0 CEAERO CC[NH+](CC)C[C@H](O)CN[C@H]1CCCc2sccc21 ZINC000061362250 520736721 /nfs/dbraw/zinc/73/67/21/520736721.db2.gz VBXVYHCYIBFXHH-OCCSQVGLSA-N 1 0 282.453 2.418 10 0 CEAERO CC[NH+](CC)C[C@H](O)CN[C@@H](C)c1ccc(C)s1 ZINC000049182918 520738194 /nfs/dbraw/zinc/73/81/94/520738194.db2.gz TUYOIMVSOPTYKJ-QWHCGFSZSA-N 1 0 270.442 2.410 10 0 CEAERO CC1(c2nc(Cc3ccccc3)no2)CC[NH2+]CC1 ZINC000062843191 520788311 /nfs/dbraw/zinc/78/83/11/520788311.db2.gz FLCNHQZDBGMIHV-UHFFFAOYSA-N 1 0 257.337 2.302 10 0 CEAERO CCC[C@@H]1CC[C@H](O)[C@H]([N@@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000061652569 520829393 /nfs/dbraw/zinc/82/93/93/520829393.db2.gz QYVNDUGZSAPXJK-FPCVCCKLSA-N 1 0 268.445 2.342 10 0 CEAERO CCOC(=O)C[C@H](C)C[C@@H]([NH3+])c1ccc2c(c1)CC(=O)N2 ZINC000061829502 520867117 /nfs/dbraw/zinc/86/71/17/520867117.db2.gz ZIZZOHFWRWRINR-ZWNOBZJWSA-N 1 0 290.363 2.160 10 0 CEAERO CCC[C@@]1(C(=O)N(C)[C@H](C)c2ccncc2)CC[NH2+]C1 ZINC000062896312 520940693 /nfs/dbraw/zinc/94/06/93/520940693.db2.gz YOGYDNPXRDMBJD-CZUORRHYSA-N 1 0 275.396 2.381 10 0 CEAERO CCC[C@@]1(C(=O)N(C)[C@H]2CCSC2)CCC[NH2+]C1 ZINC000062853497 520941629 /nfs/dbraw/zinc/94/16/29/520941629.db2.gz NNAMWFIWYBMBSG-GXTWGEPZSA-N 1 0 270.442 2.120 10 0 CEAERO CCOc1ccc(N)cc1CN1CCC[C@@H]1C[NH+](C)C ZINC000061641817 521029978 /nfs/dbraw/zinc/02/99/78/521029978.db2.gz DUMSHEFQWXCBRN-OAHLLOKOSA-N 1 0 277.412 2.194 10 0 CEAERO CCOC(=O)[C@@H](CC[N@H+](CC)C(C)C)NC(C)C ZINC000062445860 521058488 /nfs/dbraw/zinc/05/84/88/521058488.db2.gz CJNXEJAYFNFBOB-CYBMUJFWSA-N 1 0 258.406 2.037 10 0 CEAERO CCOC(=O)[C@@H](N)CC[N@H+](C)C1CCC(CC)CC1 ZINC000062526048 521068210 /nfs/dbraw/zinc/06/82/10/521068210.db2.gz LSLOIBPJHYXVQU-RUXDESIVSA-N 1 0 270.417 2.168 10 0 CEAERO CCC[C@H](NC(=O)[C@H]([NH3+])CCOC)c1cccs1 ZINC000052810138 521139369 /nfs/dbraw/zinc/13/93/69/521139369.db2.gz AMGZCJJUIKUOCX-MNOVXSKESA-N 1 0 270.398 2.069 10 0 CEAERO CCOC(=O)[C@@](C)(C[C@@H](C)[N@H+](CC1CC1)C1CC1)NC ZINC000068648373 521146695 /nfs/dbraw/zinc/14/66/95/521146695.db2.gz AGQCANSDJGHWAQ-MLGOLLRUSA-N 1 0 282.428 2.181 10 0 CEAERO CCOC(=O)[C@@](C)(C[NH+]1CCC(C)(C)CC1)NC1CC1 ZINC000061821988 521147293 /nfs/dbraw/zinc/14/72/93/521147293.db2.gz BHWLZOMUQRCQAM-MRXNPFEDSA-N 1 0 282.428 2.182 10 0 CEAERO CCOC(=O)[C@@](C)(C[N@H+](C)C(C)(C)CC)NC(C)C ZINC000069446799 521147608 /nfs/dbraw/zinc/14/76/08/521147608.db2.gz BHFOZDVBBPZKLG-OAHLLOKOSA-N 1 0 272.433 2.427 10 0 CEAERO CCOC(=O)[C@@](N)(C[NH+]1CCC2(CCCC2)CC1)C1CC1 ZINC000069232583 521172231 /nfs/dbraw/zinc/17/22/31/521172231.db2.gz YHZGJUWKOPWYNI-QGZVFWFLSA-N 1 0 294.439 2.313 10 0 CEAERO CC[N@H+](C[C@@H](O)Cn1nc(C)c(N)c1C)C1CCCCC1 ZINC000069367825 521217051 /nfs/dbraw/zinc/21/70/51/521217051.db2.gz DUJSXKCDGOQVMY-OAHLLOKOSA-N 1 0 294.443 2.098 10 0 CEAERO CCOC(=O)[C@H](C)Oc1ccc(Cl)cc1C[NH3+] ZINC000049954660 521216988 /nfs/dbraw/zinc/21/69/88/521216988.db2.gz CDKGYBYTGLPQAR-QMMMGPOBSA-N 1 0 257.717 2.129 10 0 CEAERO CCC(=O)Nc1cccc(NC(=O)CCCC[NH3+])c1 ZINC000070203177 521225916 /nfs/dbraw/zinc/22/59/16/521225916.db2.gz RSPRQXKTZBVPPA-UHFFFAOYSA-N 1 0 263.341 2.103 10 0 CEAERO CC[N@H+](C[C@@](NC1CC1)(C(N)=O)C1CC1)C1CCCCC1 ZINC000069091372 521235076 /nfs/dbraw/zinc/23/50/76/521235076.db2.gz ASCVCAZTPWMAAW-KRWDZBQOSA-N 1 0 293.455 2.027 10 0 CEAERO CCCC[C@](CC)(NCC[NH+](CC)CC)C(=O)OC ZINC000069381825 521254781 /nfs/dbraw/zinc/25/47/81/521254781.db2.gz OGIGMAAFHBAWQD-HNNXBMFYSA-N 1 0 272.433 2.430 10 0 CEAERO CCN(C[C@]1(C[NH2+]C)CCOC1)c1ccccc1F ZINC000051252981 521275018 /nfs/dbraw/zinc/27/50/18/521275018.db2.gz NCZOUSXGYAPCHK-OAHLLOKOSA-N 1 0 266.360 2.278 10 0 CEAERO CCOC(=O)[C@](C)(N)C[C@H](C)[NH+](CC1CC1)CC1CC1 ZINC000068647953 521329259 /nfs/dbraw/zinc/32/92/59/521329259.db2.gz MHPCKNDRUVTDBV-BLLLJJGKSA-N 1 0 282.428 2.168 10 0 CEAERO CCOc1cccc(C[NH2+]C)c1OCc1ncccn1 ZINC000054458370 521359652 /nfs/dbraw/zinc/35/96/52/521359652.db2.gz QMBFZKRWBAEEGN-UHFFFAOYSA-N 1 0 273.336 2.174 10 0 CEAERO CCCc1cc(N2CCC[C@H]2C[NH2+]C(C)C)ncn1 ZINC000053694429 521367905 /nfs/dbraw/zinc/36/79/05/521367905.db2.gz RNXOMHRVIZPLKS-AWEZNQCLSA-N 1 0 262.401 2.396 10 0 CEAERO CCOc1cccc(C[C@@H](C[NH3+])C(=O)N(CC)CC)c1 ZINC000050304792 521380158 /nfs/dbraw/zinc/38/01/58/521380158.db2.gz KKLOTJIIIDILDV-AWEZNQCLSA-N 1 0 278.396 2.071 10 0 CEAERO CCN(Cc1cccs1)Cc1ccc[nH+]c1NN ZINC000052721272 521410778 /nfs/dbraw/zinc/41/07/78/521410778.db2.gz YOIMWSUTYKXXNV-UHFFFAOYSA-N 1 0 262.382 2.451 10 0 CEAERO CCCc1nc(COc2ccc(C[NH2+]C)cc2)no1 ZINC000049339402 521522014 /nfs/dbraw/zinc/52/20/14/521522014.db2.gz OAGLTNFTFLEQTI-UHFFFAOYSA-N 1 0 261.325 2.321 10 0 CEAERO CCCC1N=NC(=S)N1[C@H]1CCC[N@H+](CC)C1 ZINC000049219365 521569783 /nfs/dbraw/zinc/56/97/83/521569783.db2.gz PWOUCVIJLYGRMK-JTQLQIEISA-N 1 0 254.403 2.176 10 0 CEAERO CCCc1noc(COc2c(CC[NH3+])cccc2OC)n1 ZINC000049339164 521586423 /nfs/dbraw/zinc/58/64/23/521586423.db2.gz WWCRGSBKFDEXFR-UHFFFAOYSA-N 1 0 291.351 2.111 10 0 CEAERO CCCn1c2ccc([C@@H]([NH3+])[C@H]3CCCOC3)cc2oc1=O ZINC000062234981 521637870 /nfs/dbraw/zinc/63/78/70/521637870.db2.gz QOBWMMBQXKZWIS-SWLSCSKDSA-N 1 0 290.363 2.431 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)NC2CCCCCC2)C1 ZINC000052497516 521644805 /nfs/dbraw/zinc/64/48/05/521644805.db2.gz LVSSYZVQBFBBIG-AWEZNQCLSA-N 1 0 267.417 2.493 10 0 CEAERO CCCN(CCC[NH3+])C(=O)Cc1ccc(C)c(C)c1 ZINC000053137154 521653546 /nfs/dbraw/zinc/65/35/46/521653546.db2.gz WMTGPRANJNSPFP-UHFFFAOYSA-N 1 0 262.397 2.433 10 0 CEAERO CCCn1cccc1C(=O)N1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000051358257 521658354 /nfs/dbraw/zinc/65/83/54/521658354.db2.gz PIWMEMCEWLJZML-KGLIPLIRSA-N 1 0 275.396 2.255 10 0 CEAERO CCCn1cccc1C(=O)N[C@@H]1CCCCC[C@H]1[NH3+] ZINC000063210867 521658558 /nfs/dbraw/zinc/65/85/58/521658558.db2.gz XUWYOCHXYSKLSI-CHWSQXEVSA-N 1 0 263.385 2.288 10 0 CEAERO CCC1(C(=O)N(CC(C)C)C2CC2)CC[NH2+]CC1 ZINC000062848999 521660154 /nfs/dbraw/zinc/66/01/54/521660154.db2.gz CIWRZARJZCGBOV-UHFFFAOYSA-N 1 0 252.402 2.413 10 0 CEAERO CCCn1ccnc(N[C@@H](C)c2ccc(C[NH3+])cc2)c1=O ZINC000061759209 521660539 /nfs/dbraw/zinc/66/05/39/521660539.db2.gz UGFBDYSDXRHWCP-LBPRGKRZSA-N 1 0 286.379 2.285 10 0 CEAERO CCC1(C(=O)Nc2ccc3c(c2)OCO3)CC[NH2+]CC1 ZINC000062847929 521672589 /nfs/dbraw/zinc/67/25/89/521672589.db2.gz JXTDTFMLNYBYJN-UHFFFAOYSA-N 1 0 276.336 2.134 10 0 CEAERO CCCN1C(=O)C[C@@H]([NH2+][C@H](C)c2ccc(F)cc2)C1=O ZINC000049504016 521699741 /nfs/dbraw/zinc/69/97/41/521699741.db2.gz XBVHROHNTSWEID-ZWNOBZJWSA-N 1 0 278.327 2.014 10 0 CEAERO CCNC(=O)CCOc1ccccc1C[NH2+]C(C)(C)C ZINC000062729311 521736028 /nfs/dbraw/zinc/73/60/28/521736028.db2.gz JCZHWGABWDKIBH-UHFFFAOYSA-N 1 0 278.396 2.480 10 0 CEAERO CCc1cccc(OC[C@]([NH2+]C(C)C)(C(N)=O)C2CC2)c1 ZINC000069196628 521781347 /nfs/dbraw/zinc/78/13/47/521781347.db2.gz WYRXKGZBJRKCPN-QGZVFWFLSA-N 1 0 290.407 2.260 10 0 CEAERO CCc1cccc(O[C@H](C)C[C@](C)([NH2+]C2CC2)C(N)=O)c1 ZINC000068654356 521782203 /nfs/dbraw/zinc/78/22/03/521782203.db2.gz MBSMALPVJGISAL-PXAZEXFGSA-N 1 0 290.407 2.402 10 0 CEAERO CC[C@@H](C(=O)N1CCC[C@H]1c1c(C)nn(C)c1C)[NH+](C)C ZINC000164322052 521818226 /nfs/dbraw/zinc/81/82/26/521818226.db2.gz UJDPVQPASGQBHM-KBPBESRZSA-N 1 0 292.427 2.041 10 0 CEAERO COCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000052808813 521818888 /nfs/dbraw/zinc/81/88/88/521818888.db2.gz WVNVISGPSQVDOE-ZIAGYGMSSA-N 1 0 296.798 2.367 10 0 CEAERO CCc1ccccc1C[C@@H](C[NH3+])C(=O)NC(C)(C)C ZINC000052200802 521846266 /nfs/dbraw/zinc/84/62/66/521846266.db2.gz DHCVTZKCJUNAPQ-AWEZNQCLSA-N 1 0 262.397 2.281 10 0 CEAERO COC(=O)c1cc(N)ccc1N[C@H](CC(C)C)C[NH+](C)C ZINC000049561993 521873248 /nfs/dbraw/zinc/87/32/48/521873248.db2.gz RIKLZPCYKJULKP-CYBMUJFWSA-N 1 0 293.411 2.444 10 0 CEAERO COc1cc(-c2ncc(CC[NH3+])cn2)cc(Cl)c1OC ZINC000054857543 521909573 /nfs/dbraw/zinc/90/95/73/521909573.db2.gz PKUPZKCBTFPMQC-UHFFFAOYSA-N 1 0 293.754 2.315 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N(C)CCOc1cccc(Cl)c1 ZINC000061316987 521932234 /nfs/dbraw/zinc/93/22/34/521932234.db2.gz QSRVCIIZCCWSBL-UHFFFAOYSA-N 1 0 284.787 2.175 10 0 CEAERO CC[C@H](C)[C@H](C)NC(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000051112898 521933995 /nfs/dbraw/zinc/93/39/95/521933995.db2.gz WSDCDJMVKLHXLW-YUMQZZPRSA-N 1 0 270.764 2.185 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000061316372 521939242 /nfs/dbraw/zinc/93/92/42/521939242.db2.gz ULPBFFJBNBBGSX-BDAKNGLRSA-N 1 0 266.307 2.222 10 0 CEAERO C[NH2+]C(C)(C)C(=O)Nc1ccccc1OC(F)F ZINC000061300358 521945917 /nfs/dbraw/zinc/94/59/17/521945917.db2.gz QALFRPUXJJFADN-UHFFFAOYSA-N 1 0 258.268 2.225 10 0 CEAERO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2c1ccc(CCO)cc1 ZINC000054602342 521955877 /nfs/dbraw/zinc/95/58/77/521955877.db2.gz IRAFOPFSKNLSMI-ZXFUBFMLSA-N 1 0 274.408 2.331 10 0 CEAERO C[NH2+]CC1(CN(C)Cc2ccccc2OC)CCOCC1 ZINC000052183085 521964888 /nfs/dbraw/zinc/96/48/88/521964888.db2.gz GRGPRHCWYUWGDF-UHFFFAOYSA-N 1 0 292.423 2.143 10 0 CEAERO C[NH2+]CC1CCN(C(=O)c2cc(C)ccc2OC)CC1 ZINC000063159283 521974289 /nfs/dbraw/zinc/97/42/89/521974289.db2.gz XGIKJGXBXYNGCK-UHFFFAOYSA-N 1 0 276.380 2.075 10 0 CEAERO C[NH2+]CCC1CCN(C(=O)[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000070189309 521981758 /nfs/dbraw/zinc/98/17/58/521981758.db2.gz MDGLARBHEHGWNY-ILXRZTDVSA-N 1 0 262.397 2.047 10 0 CEAERO C[NH2+]CCOCc1ccc(Br)cc1F ZINC000051841702 522011108 /nfs/dbraw/zinc/01/11/08/522011108.db2.gz QRLHIOYOOXVHHH-UHFFFAOYSA-N 1 0 262.122 2.324 10 0 CEAERO C[NH2+]CC[C@H](C)n1nc(C)c(Br)c1C ZINC000052573608 522018447 /nfs/dbraw/zinc/01/84/47/522018447.db2.gz LQEMIJLPVXWMRJ-ZETCQYMHSA-N 1 0 260.179 2.433 10 0 CEAERO C[NH2+]C[C@@H](c1ccccc1)N(C)C[C@@H]1CCCCO1 ZINC000052507747 522037389 /nfs/dbraw/zinc/03/73/89/522037389.db2.gz IEMWARVKYQPRSG-HOTGVXAUSA-N 1 0 262.397 2.448 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1C(=O)c1ccc(OC)c(F)c1 ZINC000063167278 522080293 /nfs/dbraw/zinc/08/02/93/522080293.db2.gz XKDFMMJXWKBPRB-GFCCVEGCSA-N 1 0 280.343 2.048 10 0 CEAERO CN(C)[C@H](C[NH2+]CC1CCOCC1)c1cccs1 ZINC000052175750 522087260 /nfs/dbraw/zinc/08/72/60/522087260.db2.gz BKMSKHQQRVOQMZ-CYBMUJFWSA-N 1 0 268.426 2.367 10 0 CEAERO C[NH2+]C[C@H]1Cc2ccccc2CN1CC1CCOCC1 ZINC000052173184 522097665 /nfs/dbraw/zinc/09/76/65/522097665.db2.gz JTZCHAZEGPVUFS-QGZVFWFLSA-N 1 0 274.408 2.059 10 0 CEAERO C[NH2+]Cc1cc(CN2CCO[C@H]3CCCC[C@@H]32)c(C)o1 ZINC000052573224 522108503 /nfs/dbraw/zinc/10/85/03/522108503.db2.gz AAPKNQJPLMVALH-HOTGVXAUSA-N 1 0 278.396 2.451 10 0 CEAERO C[NH2+]Cc1cc(Cl)ccc1OCCC(=O)OC ZINC000069316928 522112353 /nfs/dbraw/zinc/11/23/53/522112353.db2.gz AKFDXXQDHWEPRH-UHFFFAOYSA-N 1 0 257.717 2.001 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc(N)cc2C)CC1 ZINC000055064098 522114487 /nfs/dbraw/zinc/11/44/87/522114487.db2.gz WZPGRMXBUDILCF-CYBMUJFWSA-N 1 0 275.396 2.134 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(c2ccnc(Cl)n2)CC1 ZINC000055084606 522136909 /nfs/dbraw/zinc/13/69/09/522136909.db2.gz VRDGWLHZMIYNFF-SNVBAGLBSA-N 1 0 254.765 2.051 10 0 CEAERO C[NH2+]Cc1ccccc1Cn1nnc(-c2ccccc2)n1 ZINC000052574695 522137601 /nfs/dbraw/zinc/13/76/01/522137601.db2.gz UPYSLRNNBUORHS-UHFFFAOYSA-N 1 0 279.347 2.108 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(c2nc(Cl)nc(Cl)n2)CC1 ZINC000061519255 522137822 /nfs/dbraw/zinc/13/78/22/522137822.db2.gz KSDCMFWOJBYBBO-MRVPVSSYSA-N 1 0 290.198 2.099 10 0 CEAERO C[NH2+]Cc1ccoc1CN1CCN(c2ccccc2)CC1 ZINC000052417306 522142832 /nfs/dbraw/zinc/14/28/32/522142832.db2.gz BBRSBFNDMVFSKH-UHFFFAOYSA-N 1 0 285.391 2.321 10 0 CEAERO C[NH2+]Cc1sc(N2CCSCC2)nc1C1CC1 ZINC000069146785 522167714 /nfs/dbraw/zinc/16/77/14/522167714.db2.gz AZUUXYGJZSMFBO-UHFFFAOYSA-N 1 0 269.439 2.293 10 0 CEAERO COC[C@@H](C)N(C)[C@@H](C[NH3+])c1ccc2ncccc2c1 ZINC000069502647 522220742 /nfs/dbraw/zinc/22/07/42/522220742.db2.gz CEEYEYYHCDSPQD-WBMJQRKESA-N 1 0 273.380 2.201 10 0 CEAERO COC[C@@H](C)N(C)c1ncc(C[NH2+]C(C)C)s1 ZINC000054906732 522221900 /nfs/dbraw/zinc/22/19/00/522221900.db2.gz UQUYYNOHQSYOHL-SNVBAGLBSA-N 1 0 257.403 2.112 10 0 CEAERO COC(=O)c1cccc(OCC[NH2+][C@@H](C)[C@H]2CCCO2)c1 ZINC000183122766 522244190 /nfs/dbraw/zinc/24/41/90/522244190.db2.gz NDEMZKALIHNRQH-SWLSCSKDSA-N 1 0 293.363 2.009 10 0 CEAERO COC[C@@H](C)[NH2+]CCN(C)Cc1cccc(Cl)c1 ZINC000053425268 522250204 /nfs/dbraw/zinc/25/02/04/522250204.db2.gz OTZQHWKXUHVUBH-GFCCVEGCSA-N 1 0 270.804 2.396 10 0 CEAERO COc1cc(C)cc(OC)c1OCC[NH2+]C[C@@H]1CCCO1 ZINC000053587805 522252592 /nfs/dbraw/zinc/25/25/92/522252592.db2.gz UCMASNFOJDIFJN-ZDUSSCGKSA-N 1 0 295.379 2.160 10 0 CEAERO CN(C)c1cccc(C(=O)N[C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000063211553 522259425 /nfs/dbraw/zinc/25/94/25/522259425.db2.gz XBLMOYNTHNZPJV-HUUCEWRRSA-N 1 0 275.396 2.142 10 0 CEAERO CC[C@H]([NH3+])Cc1ccnc(Cc2ccccc2OC)n1 ZINC000054834738 522334623 /nfs/dbraw/zinc/33/46/23/522334623.db2.gz FIVIRNSHCJXSSQ-ZDUSSCGKSA-N 1 0 271.364 2.356 10 0 CEAERO CC[C@H](N)[C@H]([N@@H+]1CCC[C@@H]1CCCO)C(C)(C)C ZINC000052757385 522341423 /nfs/dbraw/zinc/34/14/23/522341423.db2.gz MBXZQGKVWSSZCA-RDBSUJKOSA-N 1 0 256.434 2.375 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccccc1F)N1CCCOCC1 ZINC000061914511 522343440 /nfs/dbraw/zinc/34/34/40/522343440.db2.gz LINDXKLZUMSYHZ-GJZGRUSLSA-N 1 0 266.360 2.326 10 0 CEAERO CCc1nc(COc2cccc3c2CC[C@@H]3[NH3+])no1 ZINC000062798340 522365597 /nfs/dbraw/zinc/36/55/97/522365597.db2.gz SUBKZIKXKRXIDD-NSHDSACASA-N 1 0 259.309 2.157 10 0 CEAERO C[NH2+][C@@H](c1ccc(OC(C)C)cc1)[C@H]1COCCO1 ZINC000055299625 522367920 /nfs/dbraw/zinc/36/79/20/522367920.db2.gz HWHKEQHHFPNUEI-CABCVRRESA-N 1 0 265.353 2.150 10 0 CEAERO C[NH2+][C@@H](c1ccc2c(c1)OCCO2)c1ncccc1C ZINC000055227233 522371778 /nfs/dbraw/zinc/37/17/78/522371778.db2.gz IMLLOZDGOJLZIO-INIZCTEOSA-N 1 0 270.332 2.470 10 0 CEAERO C[NH2+][C@@H](c1ccc2c(c1)OCCO2)c1cccnc1OC ZINC000061443622 522372647 /nfs/dbraw/zinc/37/26/47/522372647.db2.gz YDEQMBIBVGTFMM-HNNXBMFYSA-N 1 0 286.331 2.170 10 0 CEAERO C[NH2+][C@@H]1CCC2(C[C@H]1n1ncc3ccccc31)OCCO2 ZINC000050524840 522378093 /nfs/dbraw/zinc/37/80/93/522378093.db2.gz DTBABHYCSPCWQA-UKRRQHHQSA-N 1 0 287.363 2.092 10 0 CEAERO CCc1nc(N2C[C@@H](C)OC[C@@H]2CC)sc1C[NH2+]C ZINC000055001458 522390668 /nfs/dbraw/zinc/39/06/68/522390668.db2.gz GMGDGWVLCSDRQU-MNOVXSKESA-N 1 0 283.441 2.429 10 0 CEAERO C[NH2+][C@@](C)(CCCSc1cc(F)ccc1F)C(N)=O ZINC000045590974 522411351 /nfs/dbraw/zinc/41/13/51/522411351.db2.gz UYAYRSREIDUGPK-ZDUSSCGKSA-N 1 0 288.363 2.301 10 0 CEAERO CN[C@@](C)(C[C@H](C)[N@@H+]1CCC[C@H](C(C)(C)C)CC1)C(N)=O ZINC000068648201 522419762 /nfs/dbraw/zinc/41/97/62/522419762.db2.gz PQVGRCANEKQHBI-ZQIUZPCESA-N 1 0 297.487 2.377 10 0 CEAERO C[NH2+][C@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000052395924 522439065 /nfs/dbraw/zinc/43/90/65/522439065.db2.gz NBRNGPRDCPCZNO-MRVPVSSYSA-N 1 0 258.724 2.045 10 0 CEAERO C[NH2+][C@H](C)c1ccc(F)cc1O[C@@H]1CCCCNC1=O ZINC000062746625 522447362 /nfs/dbraw/zinc/44/73/62/522447362.db2.gz WGZIWOPPRQZDPF-ZWNOBZJWSA-N 1 0 280.343 2.154 10 0 CEAERO C[NH2+][C@H](C)c1cccc(NC(=O)NC[C@@H]2CCOC2)c1 ZINC000061148547 522451136 /nfs/dbraw/zinc/45/11/36/522451136.db2.gz FSBBSWOGIBOPDG-NEPJUHHUSA-N 1 0 277.368 2.125 10 0 CEAERO C[NH2+][C@H](C)c1cccc(NC(=O)C2CCOCC2)c1 ZINC000061671099 522451828 /nfs/dbraw/zinc/45/18/28/522451828.db2.gz XIDMZRCSQBXKCX-LLVKDONJSA-N 1 0 262.353 2.332 10 0 CEAERO C[NH2+][C@H]1CCC2(C[C@@H]1n1ncc3ccccc31)OCCO2 ZINC000050524838 522487100 /nfs/dbraw/zinc/48/71/00/522487100.db2.gz DTBABHYCSPCWQA-ZFWWWQNUSA-N 1 0 287.363 2.092 10 0 CEAERO C[NH2+][C@H]1CCC2(C[C@H]1Oc1cc(F)cc(F)c1)OCCO2 ZINC000054932653 522490329 /nfs/dbraw/zinc/49/03/29/522490329.db2.gz IAKRGVYMFNMANF-UONOGXRCSA-N 1 0 299.317 2.227 10 0 CEAERO CC[C@@H](CC[NH3+])NC(=O)c1cccc2cccnc21 ZINC000061410665 522497168 /nfs/dbraw/zinc/49/71/68/522497168.db2.gz MKENAABBLMILHT-LBPRGKRZSA-N 1 0 257.337 2.092 10 0 CEAERO C[NH2+][C@H]1CCCc2nc(N3CCOCC3(C)C)sc21 ZINC000054909175 522499677 /nfs/dbraw/zinc/49/96/77/522499677.db2.gz HKDMDDKTMMARPY-JTQLQIEISA-N 1 0 281.425 2.355 10 0 CEAERO C[NH2+][C@H]1CCOC[C@H]1n1cc(-c2ccccc2)cn1 ZINC000054961139 522505521 /nfs/dbraw/zinc/50/55/21/522505521.db2.gz MQLXJRYQYJPOHN-LSDHHAIUSA-N 1 0 257.337 2.100 10 0 CEAERO CC[C@H](NC(=O)[C@](C)([NH3+])C1CC1)c1cccs1 ZINC000049532198 522518020 /nfs/dbraw/zinc/51/80/20/522518020.db2.gz IKNNULBUPGYKGB-GXFFZTMASA-N 1 0 252.383 2.443 10 0 CEAERO C[NH2+][C@](C)(C[C@H](C)n1ccnc1-c1cccs1)C(N)=O ZINC000068649664 522525445 /nfs/dbraw/zinc/52/54/45/522525445.db2.gz MKDJWJNEMHYXIN-IINYFYTJSA-N 1 0 292.408 2.026 10 0 CEAERO CN[C@](C[N@@H+]1CCC[C@@H]1C1CCCC1)(C(=O)OC)C1CC1 ZINC000069132013 522526947 /nfs/dbraw/zinc/52/69/47/522526947.db2.gz NPRJCMDJWNXVBD-WBVHZDCISA-N 1 0 294.439 2.182 10 0 CEAERO C[NH2+][C@](CSc1ccc(C)c(C)c1)(C(N)=O)C1CC1 ZINC000069187523 522532940 /nfs/dbraw/zinc/53/29/40/522532940.db2.gz HNZXGNFUIZZDGK-HNNXBMFYSA-N 1 0 278.421 2.249 10 0 CEAERO COc1cc(Cl)ccc1C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000070119858 522548831 /nfs/dbraw/zinc/54/88/31/522548831.db2.gz FRZLQQQLUIJSJG-NSHDSACASA-N 1 0 282.771 2.221 10 0 CEAERO COc1cc(F)ccc1NC(=O)C1([NH3+])CCCC1 ZINC000049569984 522602521 /nfs/dbraw/zinc/60/25/21/522602521.db2.gz YTLSWENUNJKRFB-UHFFFAOYSA-N 1 0 252.289 2.044 10 0 CEAERO CC[C@@H]([NH3+])Cc1c(C)nn(CCOC(C)C)c1C ZINC000054741290 522640521 /nfs/dbraw/zinc/64/05/21/522640521.db2.gz HYLMSCPIQYNLDC-CYBMUJFWSA-N 1 0 253.390 2.205 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cccnc1)N1CCC[C@@H]1CCCO ZINC000052757670 522653384 /nfs/dbraw/zinc/65/33/84/522653384.db2.gz PSNGPODLHDLNEG-OAGGEKHMSA-N 1 0 277.412 2.097 10 0 CEAERO CNc1ncccc1C[N@H+](CCOC)CC(C)C ZINC000052724511 522710320 /nfs/dbraw/zinc/71/03/20/522710320.db2.gz JRBUWXQRHGDWRB-UHFFFAOYSA-N 1 0 251.374 2.228 10 0 CEAERO CC[C@H]([NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1)C(C)C ZINC000049127609 522741818 /nfs/dbraw/zinc/74/18/18/522741818.db2.gz CXACZAGLYYWZJW-RISCZKNCSA-N 1 0 284.425 2.419 10 0 CEAERO C[NH2+][C@@H]1CCN(C(=O)CCCOC)c2ccccc21 ZINC000095033403 536369417 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UGTAKLZXAKWOCE-LBPRGKRZSA-N 1 0 277.286 2.149 10 0 CEAERO COCC[NH2+]Cc1c(C)nn(C)c1N(CC(C)C)C(C)C ZINC000062737774 523946829 /nfs/dbraw/zinc/94/68/29/523946829.db2.gz PEXONQXBXCXLCW-UHFFFAOYSA-N 1 0 296.459 2.335 10 0 CEAERO COCC[NH2+]Cc1ccccc1N1CCCSCC1 ZINC000062736838 523955513 /nfs/dbraw/zinc/95/55/13/523955513.db2.gz UVTUSIWNMISXMJ-UHFFFAOYSA-N 1 0 280.437 2.366 10 0 CEAERO CC[C@H](C)[NH+]1CCN(Cc2cccc(C(N)=S)c2)CC1 ZINC000055066721 523957235 /nfs/dbraw/zinc/95/72/35/523957235.db2.gz CVNOWEFFCJSRNB-ZDUSSCGKSA-N 1 0 291.464 2.237 10 0 CEAERO CC[C@H](C)[NH+]1CCN(c2ccnc(Cl)n2)CC1 ZINC000055084608 523960065 /nfs/dbraw/zinc/96/00/65/523960065.db2.gz VRDGWLHZMIYNFF-JTQLQIEISA-N 1 0 254.765 2.051 10 0 CEAERO COc1ccc(CN2CC[NH2+]C[C@]2(C)C2CC2)cc1F ZINC000068696496 524034842 /nfs/dbraw/zinc/03/48/42/524034842.db2.gz YCQVWZFWRKYARJ-MRXNPFEDSA-N 1 0 278.371 2.408 10 0 CEAERO C[NH+](C)CC(C)(C)CNC(=O)c1cccc2c1NCCC2 ZINC000050957377 524046173 /nfs/dbraw/zinc/04/61/73/524046173.db2.gz FXZOORYEYYZIFZ-UHFFFAOYSA-N 1 0 289.423 2.362 10 0 CEAERO COCCOc1ccc(NC(=O)[C@H]2CCC[C@@H](C)[NH2+]2)cc1 ZINC000066146432 524048934 /nfs/dbraw/zinc/04/89/34/524048934.db2.gz MTMSAUJWOGEYGG-IUODEOHRSA-N 1 0 292.379 2.181 10 0 CEAERO COc1ccc(C[NH2+]CC(C)C)c(O[C@@H]2CCOC2=O)c1 ZINC000062733221 524069270 /nfs/dbraw/zinc/06/92/70/524069270.db2.gz KYZJYXWABVVLFT-CQSZACIVSA-N 1 0 293.363 2.135 10 0 CEAERO CNC(=O)CCOc1c(C[NH2+]C(C)(C)C)cccc1OC ZINC000062732246 524069608 /nfs/dbraw/zinc/06/96/08/524069608.db2.gz WEHHJXMCPCCCMJ-UHFFFAOYSA-N 1 0 294.395 2.098 10 0 CEAERO COc1ccc(CN[C@H](C[NH+](C)C)c2ccccc2)cn1 ZINC000158035175 524090295 /nfs/dbraw/zinc/09/02/95/524090295.db2.gz DDGXVBDMFRKTNO-MRXNPFEDSA-N 1 0 285.391 2.483 10 0 CEAERO Cc1ccc2oc(C(=O)N[C@@H]3CCC[C@H]3[NH3+])cc2c1 ZINC000063171896 524091229 /nfs/dbraw/zinc/09/12/29/524091229.db2.gz LQVZKWRNAAFLGH-VXGBXAGGSA-N 1 0 258.321 2.351 10 0 CEAERO COc1cccc([C@@H](O)[C@@H]([NH3+])CC(C)C)c1OC ZINC000054929259 524106524 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ZINC000050562880 524221714 /nfs/dbraw/zinc/22/17/14/524221714.db2.gz HFXMYHBSVINMJO-VXGBXAGGSA-N 1 0 261.369 2.328 10 0 CEAERO C[C@H](CCc1ccco1)[NH2+]C[C@@H](O)COC(C)(C)C ZINC000049566444 524260878 /nfs/dbraw/zinc/26/08/78/524260878.db2.gz AFCCYRHHTMOQBJ-CHWSQXEVSA-N 1 0 269.385 2.366 10 0 CEAERO C[C@@H]1CCC[NH2+][C@@H]1C(=O)N(C)Cc1cccc(F)c1 ZINC000051792337 524263880 /nfs/dbraw/zinc/26/38/80/524263880.db2.gz LRPSYJJISDYWBE-RISCZKNCSA-N 1 0 264.344 2.172 10 0 CEAERO C[C@H](C[NH+]1CCCC1)NCC(=O)Nc1ccc(Cl)cc1 ZINC000049180341 524315646 /nfs/dbraw/zinc/31/56/46/524315646.db2.gz UTLFOGPFULIGQR-GFCCVEGCSA-N 1 0 295.814 2.352 10 0 CEAERO C[C@H](C[NH+]1CCCCC1)Nc1ncccc1C(N)=S ZINC000049502467 524336890 /nfs/dbraw/zinc/33/68/90/524336890.db2.gz RQFLZCBSGQQRRE-LLVKDONJSA-N 1 0 278.425 2.002 10 0 CEAERO COc1ccc(N(C)C(=O)[C@@H](C[NH3+])c2ccccc2)cc1 ZINC000061613230 524342452 /nfs/dbraw/zinc/34/24/52/524342452.db2.gz FMYKDNSBKQQYBH-INIZCTEOSA-N 1 0 284.359 2.401 10 0 CEAERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(Cl)cc1N ZINC000050443140 524342520 /nfs/dbraw/zinc/34/25/20/524342520.db2.gz ARFOSESMCWBTEG-GXSJLCMTSA-N 1 0 281.787 2.008 10 0 CEAERO COc1ccccc1C(=O)N1[C@H](C)CCC[C@@H]1C[NH3+] ZINC000070151971 524346230 /nfs/dbraw/zinc/34/62/30/524346230.db2.gz UMRVPLFJDPEYFB-VXGBXAGGSA-N 1 0 262.353 2.037 10 0 CEAERO C[C@@H]1CCC[C@H](C[NH3+])N1c1nncc2ccccc21 ZINC000070157660 524375446 /nfs/dbraw/zinc/37/54/46/524375446.db2.gz ZNSKSBULWLOSIQ-DGCLKSJQSA-N 1 0 256.353 2.336 10 0 CEAERO Cc1ccc(C[NH3+])cc1NC(=O)[C@H]1Cc2ccccc2O1 ZINC000050430628 524424210 /nfs/dbraw/zinc/42/42/10/524424210.db2.gz NPEOOIHMLFPYSF-MRXNPFEDSA-N 1 0 282.343 2.396 10 0 CEAERO COc1ccc(NC(=[NH2+])NCC(C)C)c(OC)c1 ZINC000052069204 524451112 /nfs/dbraw/zinc/45/11/12/524451112.db2.gz OXMWWTDTGPVTCZ-UHFFFAOYSA-N 1 0 251.330 2.296 10 0 CEAERO COc1ccccc1C[NH2+][C@@H](CN(C)C)C(C)C ZINC000049195141 524490407 /nfs/dbraw/zinc/49/04/07/524490407.db2.gz KNEGRMWEPDOBNK-AWEZNQCLSA-N 1 0 250.386 2.371 10 0 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285.185 2.221 10 0 CEAERO C[C@@H](CN1CCCC1)[NH2+]CCCOCC(F)(F)F ZINC000049312457 524592133 /nfs/dbraw/zinc/59/21/33/524592133.db2.gz AZABGZLGARUWIW-NSHDSACASA-N 1 0 268.323 2.029 10 0 CEAERO Cc1cccc(NC(=O)Cn2ccnc2C[NH2+]C2CC2)c1 ZINC000051015109 524610407 /nfs/dbraw/zinc/61/04/07/524610407.db2.gz NYGWATARGCQLQG-UHFFFAOYSA-N 1 0 284.363 2.082 10 0 CEAERO C[C@H]1CN(Cc2ccoc2C[NH2+]C2CC2)C[C@H](C)O1 ZINC000052380453 524639841 /nfs/dbraw/zinc/63/98/41/524639841.db2.gz QYLCBSZDBYFHPO-RYUDHWBXSA-N 1 0 264.369 2.141 10 0 CEAERO C[C@H]1CN(c2ccc(C(N)=[NH2+])cc2Cl)CCCO1 ZINC000062794320 524667827 /nfs/dbraw/zinc/66/78/27/524667827.db2.gz UPUOTEWIISYFBQ-VIFPVBQESA-N 1 0 267.760 2.239 10 0 CEAERO C[C@@H]1CC[C@H](C[NH3+])CN1C(=O)c1cccc2cccnc21 ZINC000070179824 524669678 /nfs/dbraw/zinc/66/96/78/524669678.db2.gz YQYAQBVZQKDYMX-CHWSQXEVSA-N 1 0 283.375 2.434 10 0 CEAERO Cc1cc(C[NH3+])nc(-c2ccc3ncccc3c2)n1 ZINC000062802631 524672334 /nfs/dbraw/zinc/67/23/34/524672334.db2.gz XLGLYFVGWSBASO-UHFFFAOYSA-N 1 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260.381 2.171 10 0 CEAERO C[C@@H](NC(=O)C[C@H](C)C1CC[NH2+]CC1)c1cccnc1 ZINC000163781400 525129405 /nfs/dbraw/zinc/12/94/05/525129405.db2.gz MIRZIEGPWWEYTJ-QWHCGFSZSA-N 1 0 275.396 2.285 10 0 CEAERO COc1ccc([C@@H](O)C[NH2+]C[C@@H](C)CSC)cc1 ZINC000069448171 525207538 /nfs/dbraw/zinc/20/75/38/525207538.db2.gz KBWHNFAAVVUXHR-RISCZKNCSA-N 1 0 269.410 2.317 10 0 CEAERO CS(=O)(=O)[C@H](c1ccccc1)[C@H]([NH3+])Cc1ccccc1 ZINC000054930070 525235213 /nfs/dbraw/zinc/23/52/13/525235213.db2.gz HNQWEKPDGGIRND-HZPDHXFCSA-N 1 0 289.400 2.342 10 0 CEAERO Cc1ccccc1O[C@@H](C)C[C@](C)([NH2+]C(C)C)C(N)=O ZINC000068656365 525320894 /nfs/dbraw/zinc/32/08/94/525320894.db2.gz RSEQDBYOVFERSA-BBRMVZONSA-N 1 0 278.396 2.394 10 0 CEAERO C[C@]1(c2nc(C3(c4ccccc4)CC3)no2)CC[NH2+]C1 ZINC000062919822 525338569 /nfs/dbraw/zinc/33/85/69/525338569.db2.gz MMZGNYZGXNUWRA-HNNXBMFYSA-N 1 0 269.348 2.401 10 0 CEAERO COc1ccc([C@H]([C@H](C)[NH3+])N2CCC[C@@H]2CCCO)cc1 ZINC000052757146 525380700 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C[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(=O)c1cccc2cccnc21 ZINC000061416014 525512958 /nfs/dbraw/zinc/51/29/58/525512958.db2.gz USEBAYHFCVQURT-ZLDLUXBVSA-N 1 0 281.359 2.057 10 0 CEAERO Cc1cc([C@H](C)NC(=O)c2ccc(NN)[nH+]c2)c(C)o1 ZINC000051119328 525513808 /nfs/dbraw/zinc/51/38/08/525513808.db2.gz WNAQWWCEXDQOHY-VIFPVBQESA-N 1 0 274.324 2.068 10 0 CEAERO C[C@@H]1Cc2ccccc2N(CC[C@@H](CO)[NH2+]C2CC2)C1 ZINC000070335749 525526477 /nfs/dbraw/zinc/52/64/77/525526477.db2.gz ZEDNDBWNJNAFEN-CJNGLKHVSA-N 1 0 274.408 2.188 10 0 CEAERO Cc1cc([C@H]2CCCN2C(=O)[C@@]2(C)CCC[NH2+]C2)on1 ZINC000062857501 525544851 /nfs/dbraw/zinc/54/48/51/525544851.db2.gz WGLWICXVFNRRNI-DOMZBBRYSA-N 1 0 277.368 2.036 10 0 CEAERO CSC[C@@H](C)C[NH2+]C[C@H](O)COC1CCCCC1 ZINC000069447238 525621789 /nfs/dbraw/zinc/62/17/89/525621789.db2.gz CCSDIGAXMPYPOW-STQMWFEESA-N 1 0 275.458 2.285 10 0 CEAERO CSC[C@@H](C)C[NH2+]C[C@@H](O)c1ccccc1F ZINC000069448032 525622283 /nfs/dbraw/zinc/62/22/83/525622283.db2.gz NYOTYSPMOHVKJQ-GXFFZTMASA-N 1 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HVIMLBAMIJWXNH-LLVKDONJSA-N 1 0 294.376 2.086 10 0 CEAERO C[C@@]1(C(=O)Nc2c(F)cccc2F)CCC[NH2+]C1 ZINC000062853191 525806598 /nfs/dbraw/zinc/80/65/98/525806598.db2.gz UHBABZDCSQYYIC-CYBMUJFWSA-N 1 0 254.280 2.293 10 0 CEAERO C[C@@]1(C(=O)Nc2cccnc2Cl)CCC[NH2+]C1 ZINC000062855107 525812818 /nfs/dbraw/zinc/81/28/18/525812818.db2.gz PTCPKQKCXHDSJY-GFCCVEGCSA-N 1 0 253.733 2.063 10 0 CEAERO Cc1c(N)cccc1C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000049550940 525818811 /nfs/dbraw/zinc/81/88/11/525818811.db2.gz LIOLVGQADHRBEC-ZDUSSCGKSA-N 1 0 277.412 2.283 10 0 CEAERO C[C@H](O)c1ccc(N2CCC[C@@H]2C[NH+](C)C)c(F)c1 ZINC000061645484 525857075 /nfs/dbraw/zinc/85/70/75/525857075.db2.gz HYCIZQFSYDTKGC-WCQYABFASA-N 1 0 266.360 2.409 10 0 CEAERO Cc1ccc([C@H](C)n2nnnc2C[NH2+]CC(C)C)cc1 ZINC000054747961 525951937 /nfs/dbraw/zinc/95/19/37/525951937.db2.gz NBRSNFQENGQBHD-ZDUSSCGKSA-N 1 0 273.384 2.336 10 0 CEAERO Cc1ccc([C@H](Sc2ncnc3[nH]cnc32)[C@@H](C)[NH3+])o1 ZINC000051036175 525979188 /nfs/dbraw/zinc/97/91/88/525979188.db2.gz MCOMHUWGYCSWIM-LDYMZIIASA-N 1 0 289.364 2.435 10 0 CEAERO Cc1cnc(C[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)cn1 ZINC000061320644 526043292 /nfs/dbraw/zinc/04/32/92/526043292.db2.gz YCOQBFMPWAWRIW-NSHDSACASA-N 1 0 285.351 2.126 10 0 CEAERO C[C@@H](c1cccc(Br)c1)N1CC[C@H]([NH3+])C1=O ZINC000049660379 526065817 /nfs/dbraw/zinc/06/58/17/526065817.db2.gz BMFOJPZNDZRKGP-KWQFWETISA-N 1 0 283.169 2.070 10 0 CEAERO COc1cccc(N(C)Cc2cc[nH+]c(NN)c2)c1 ZINC000052719559 526131750 /nfs/dbraw/zinc/13/17/50/526131750.db2.gz MGGUCHNIIKNJHX-UHFFFAOYSA-N 1 0 258.325 2.012 10 0 CEAERO COc1cccc(N(C)Cc2ccnc(C(N)=[NH2+])c2)c1 ZINC000068761757 526131792 /nfs/dbraw/zinc/13/17/92/526131792.db2.gz XNLIAUSQJNUZDL-UHFFFAOYSA-N 1 0 270.336 2.011 10 0 CEAERO C[C@@H](c1cccs1)N(C)Cc1cc(C[NH3+])no1 ZINC000052506779 526144096 /nfs/dbraw/zinc/14/40/96/526144096.db2.gz HLQBUHZNCIOYAQ-VIFPVBQESA-N 1 0 251.355 2.388 10 0 CEAERO COc1cccc(OC)c1OCC[C@@H]1CCC[NH2+]1 ZINC000057538742 526223480 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ZINC000062803264 526282358 /nfs/dbraw/zinc/28/23/58/526282358.db2.gz KPGVVCVISPVIEA-NSHDSACASA-N 1 0 258.369 2.027 10 0 CEAERO Cc1nn(Cc2ccnc(C[NH3+])c2)c(C)c1Cl ZINC000068751049 526298405 /nfs/dbraw/zinc/29/84/05/526298405.db2.gz VZIAQEDFAYRSJW-UHFFFAOYSA-N 1 0 250.733 2.055 10 0 CEAERO Cc1nn([C@@H]2CCCC[C@H]2O)c(C)c1C[NH2+]C(C)C ZINC000054599991 526302813 /nfs/dbraw/zinc/30/28/13/526302813.db2.gz QWEMWWCHPANTGV-HUUCEWRRSA-N 1 0 265.401 2.474 10 0 CEAERO Cc1nn([C@@H]2CCC[C@@H]2O)c(C)c1C[NH2+]C(C)C ZINC000054599507 526302833 /nfs/dbraw/zinc/30/28/33/526302833.db2.gz JKFWKOQPECFHKR-KGLIPLIRSA-N 1 0 251.374 2.084 10 0 CEAERO Cc1nn([C@H](C)C[NH2+]C[C@H]2CCCO2)c(C)c1C ZINC000053540436 526306444 /nfs/dbraw/zinc/30/64/44/526306444.db2.gz NLXRXGOZHGKPMS-QMTHXVAHSA-N 1 0 251.374 2.138 10 0 CEAERO Cc1csc(Cc2noc(C3(C)CC[NH2+]CC3)n2)n1 ZINC000062843401 526369533 /nfs/dbraw/zinc/36/95/33/526369533.db2.gz VYWVYXNMZFTZLN-UHFFFAOYSA-N 1 0 278.381 2.066 10 0 CEAERO Fc1ccccc1Cc1noc([C@H]2CCC[NH2+]C2)n1 ZINC000049671253 526413479 /nfs/dbraw/zinc/41/34/79/526413479.db2.gz LIDNFHUEYOLDFV-NSHDSACASA-N 1 0 261.300 2.267 10 0 CEAERO Cc1nc(S[C@H](CC(N)=[NH2+])c2ccccc2)n[nH]1 ZINC000055024339 526532688 /nfs/dbraw/zinc/53/26/88/526532688.db2.gz KGVWECAFUVAHNL-SNVBAGLBSA-N 1 0 261.354 2.273 10 0 CEAERO Cc1nnc(Sc2cc(Cl)ccc2C[NH3+])[nH]1 ZINC000062787267 526534031 /nfs/dbraw/zinc/53/40/31/526534031.db2.gz XXZLUEUYXXODHN-UHFFFAOYSA-N 1 0 254.746 2.376 10 0 CEAERO Cc1nc(-c2ncccn2)nc(C)c1[C@H](C)C[NH2+]C1CC1 ZINC000054855049 526625470 /nfs/dbraw/zinc/62/54/70/526625470.db2.gz HWSURHKMOLIFCH-SNVBAGLBSA-N 1 0 283.379 2.406 10 0 CEAERO O=C(c1ccc(F)cc1)N1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000051358688 526689144 /nfs/dbraw/zinc/68/91/44/526689144.db2.gz BOMYFKISXGBYKX-ZIAGYGMSSA-N 1 0 262.328 2.182 10 0 CEAERO O=C(c1ccc2c(c1)C[NH2+]C2)N1CCO[C@H]2CCCC[C@H]21 ZINC000156712026 526723972 /nfs/dbraw/zinc/72/39/72/526723972.db2.gz FEXNTYZQFGNJBD-CVEARBPZSA-N 1 0 286.375 2.073 10 0 CEAERO O=C(c1ccc2ncsc2c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000049515909 526740846 /nfs/dbraw/zinc/74/08/46/526740846.db2.gz TYCXBUZNEIBIPA-GFCCVEGCSA-N 1 0 287.388 2.217 10 0 CEAERO Cc1nc(C)n(Cc2cc(C[NH2+]CC(C)C)co2)n1 ZINC000052574439 526763964 /nfs/dbraw/zinc/76/39/64/526763964.db2.gz WTEBARQPCPZWSP-UHFFFAOYSA-N 1 0 262.357 2.282 10 0 CEAERO NC(=[NH2+])c1c(Cl)cccc1OC1CCOCC1 ZINC000052907622 526819769 /nfs/dbraw/zinc/81/97/69/526819769.db2.gz CZXQMIZTKQGRIQ-UHFFFAOYSA-N 1 0 254.717 2.182 10 0 CEAERO NC(=[NH2+])c1cc(Sc2ccncn2)nc2ccccc21 ZINC000068798493 526822278 /nfs/dbraw/zinc/82/22/78/526822278.db2.gz IREAAXWEBWVKES-UHFFFAOYSA-N 1 0 281.344 2.460 10 0 CEAERO NC(=[NH2+])c1ccc(-n2nnc(-c3ccccc3)n2)c(Cl)c1 ZINC000062794360 526822363 /nfs/dbraw/zinc/82/23/63/526822363.db2.gz OWRWRUPCALHXBW-UHFFFAOYSA-N 1 0 298.737 2.267 10 0 CEAERO NC(=[NH2+])c1ncccc1COc1ccc(F)cc1F ZINC000061658631 526825806 /nfs/dbraw/zinc/82/58/06/526825806.db2.gz MKXOXHLOTPIICH-UHFFFAOYSA-N 1 0 263.247 2.223 10 0 CEAERO O=C(c1cccs1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063189566 526836235 /nfs/dbraw/zinc/83/62/35/526836235.db2.gz QVKIFPPYONVWGU-RYUDHWBXSA-N 1 0 264.394 2.495 10 0 CEAERO Cc1nc(CN(C)c2nc(C)c(C[NH3+])s2)cs1 ZINC000054999821 526846814 /nfs/dbraw/zinc/84/68/14/526846814.db2.gz CXLSMECIDDUXPE-UHFFFAOYSA-N 1 0 268.411 2.312 10 0 CEAERO Cc1nc(CNC[C@@](C)([NH3+])c2ccccc2)cs1 ZINC000052883535 526887343 /nfs/dbraw/zinc/88/73/43/526887343.db2.gz GUSSQGYQZVBNCX-CQSZACIVSA-N 1 0 261.394 2.415 10 0 CEAERO Cc1nc(COc2ccc3c(c2)OC[C@@H]3[NH3+])cs1 ZINC000062803755 526908932 /nfs/dbraw/zinc/90/89/32/526908932.db2.gz GPEIHKPLKUWIFV-LBPRGKRZSA-N 1 0 262.334 2.423 10 0 CEAERO Cc1nc(C[C@@H]2CCCO2)nc(C)c1C[NH2+]C1CC1 ZINC000054854384 526919177 /nfs/dbraw/zinc/91/91/77/526919177.db2.gz PLGLEJZVEQJGIX-ZDUSSCGKSA-N 1 0 261.369 2.067 10 0 CEAERO Cc1nc(Cl)cc(N2CC[NH+](C(C)(C)C)CC2)n1 ZINC000052836540 526933441 /nfs/dbraw/zinc/93/34/41/526933441.db2.gz FOAPBNNMNHFWRM-UHFFFAOYSA-N 1 0 268.792 2.359 10 0 CEAERO Cc1nc(N2C[C@@H](C)O[C@@H](C)C2)sc1C[NH2+]C1CC1 ZINC000054995460 526973936 /nfs/dbraw/zinc/97/39/36/526973936.db2.gz HNQHPGCVONJHEX-AOOOYVTPSA-N 1 0 281.425 2.317 10 0 CEAERO NC(=O)[C@@](CSc1ccccc1)([NH2+]C1CC1)C1CC1 ZINC000069185555 526989598 /nfs/dbraw/zinc/98/95/98/526989598.db2.gz RWSYOAXDUDUEPK-HNNXBMFYSA-N 1 0 276.405 2.165 10 0 CEAERO NC(=O)c1c(Cl)cccc1N[C@H]1CCCC[C@H]1[NH3+] ZINC000052906018 527019256 /nfs/dbraw/zinc/01/92/56/527019256.db2.gz LPNCJXZRPBVQBV-ZJUUUORDSA-N 1 0 267.760 2.121 10 0 CEAERO NC(=O)c1c(Cl)cccc1OCC[C@@H]1CCC[NH2+]C1 ZINC000052908652 527019279 /nfs/dbraw/zinc/01/92/79/527019279.db2.gz IAMXKGQSUHFYNR-JTQLQIEISA-N 1 0 282.771 2.207 10 0 CEAERO O=C1NCCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000050395414 527065858 /nfs/dbraw/zinc/06/58/58/527065858.db2.gz MJBQGZUIAWXDFW-LLVKDONJSA-N 1 0 273.163 2.362 10 0 CEAERO Cn1c2ccc([C@H]([NH3+])c3cccc(F)c3F)cc2oc1=O ZINC000054205491 527107277 /nfs/dbraw/zinc/10/72/77/527107277.db2.gz QZGYZXZAFLLURH-AWEZNQCLSA-N 1 0 290.269 2.458 10 0 CEAERO Cc1[nH+]c2cc(N)ccc2n1[C@@H](C)Cn1ccnc1 ZINC000052855111 527123134 /nfs/dbraw/zinc/12/31/34/527123134.db2.gz RIFIJMDUNNNONR-JTQLQIEISA-N 1 0 255.325 2.385 10 0 CEAERO [NH3+]C1CCN(c2ccccc2OC2CCOCC2)CC1 ZINC000069310935 527143474 /nfs/dbraw/zinc/14/34/74/527143474.db2.gz MTHLNAGLDRLENA-UHFFFAOYSA-N 1 0 276.380 2.172 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1ccc(F)cc1F ZINC000054290302 527168203 /nfs/dbraw/zinc/16/82/03/527168203.db2.gz QJKINVVVSWPIQP-SECBINFHSA-N 1 0 254.280 2.293 10 0 CEAERO O=S(=O)(C[C@H]1CCC[NH2+]C1)Nc1cccc(Cl)c1 ZINC000049641595 527187207 /nfs/dbraw/zinc/18/72/07/527187207.db2.gz AERGEBPERGAUMX-JTQLQIEISA-N 1 0 288.800 2.081 10 0 CEAERO [NH3+]C[C@@H](c1ccc(F)cc1)N(CCO)Cc1ccccc1 ZINC000050514067 527207541 /nfs/dbraw/zinc/20/75/41/527207541.db2.gz IQGULOZMAOBQKF-KRWDZBQOSA-N 1 0 288.366 2.320 10 0 CEAERO [NH3+]C[C@@]1(Cc2ccc(Br)cc2)CCOC1 ZINC000054637641 527222696 /nfs/dbraw/zinc/22/26/96/527222696.db2.gz GASQHMFQSJVQKX-LBPRGKRZSA-N 1 0 270.170 2.357 10 0 CEAERO [NH3+]C[C@H](C(=O)N1CCC[C@H]1c1ccc[nH]1)c1ccccc1 ZINC000061612155 527222857 /nfs/dbraw/zinc/22/28/57/527222857.db2.gz ZQZYEEQHCLVXFE-HOCLYGCPSA-N 1 0 283.375 2.421 10 0 CEAERO [NH3+]C[C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000061610672 527224012 /nfs/dbraw/zinc/22/40/12/527224012.db2.gz WIZMFXZKSUWBBV-HNNXBMFYSA-N 1 0 254.333 2.045 10 0 CEAERO [NH3+]C[C@H](C1CCOCC1)N(Cc1ccsc1)C1CC1 ZINC000052177550 527225232 /nfs/dbraw/zinc/22/52/32/527225232.db2.gz AQMIXUHZEVCSSL-OAHLLOKOSA-N 1 0 280.437 2.466 10 0 CEAERO [NH3+]C[C@H](Sc1ncnc2[nH]cnc21)c1ccccc1 ZINC000051036186 527229135 /nfs/dbraw/zinc/22/91/35/527229135.db2.gz KDHZAGVOLJWNLX-JTQLQIEISA-N 1 0 271.349 2.145 10 0 CEAERO Cn1cc(C[C@H]([NH3+])Cc2ccc(F)cc2Cl)cn1 ZINC000062607665 527232361 /nfs/dbraw/zinc/23/23/61/527232361.db2.gz HVZQMRLRJVDIBN-LBPRGKRZSA-N 1 0 267.735 2.325 10 0 CEAERO [NH3+]Cc1cc(CSc2nnc3n2CCCCC3)ccn1 ZINC000068752157 527248000 /nfs/dbraw/zinc/24/80/00/527248000.db2.gz NPFIOOJQFZFQPS-UHFFFAOYSA-N 1 0 289.408 2.151 10 0 CEAERO [NH3+]Cc1cc(Cl)ccc1N1CCC[C@@H](CO)C1 ZINC000052856916 527249024 /nfs/dbraw/zinc/24/90/24/527249024.db2.gz DSWUYFSWGZXIAN-SNVBAGLBSA-N 1 0 254.761 2.007 10 0 CEAERO [NH3+]Cc1cc(N2CCC[C@@H]2CCCO)nc2ccccc12 ZINC000068796924 527249059 /nfs/dbraw/zinc/24/90/59/527249059.db2.gz ABCJUAJCKYRUDS-CQSZACIVSA-N 1 0 285.391 2.435 10 0 CEAERO [NH3+]Cc1cc(N2[C@@H]3CC[C@H]2CC(O)C3)nc2ccccc12 ZINC000068796960 527249296 /nfs/dbraw/zinc/24/92/96/527249296.db2.gz CLTWDRSAZRDDIO-PBWFPOADSA-N 1 0 283.375 2.186 10 0 CEAERO [NH3+]Cc1ccc(Sc2nnnn2C2CC2)c(Cl)c1 ZINC000062793390 527257018 /nfs/dbraw/zinc/25/70/18/527257018.db2.gz PFYOLRBKPQRWFY-UHFFFAOYSA-N 1 0 281.772 2.271 10 0 CEAERO [NH3+]Cc1cnc(N2CCN(c3ccc(F)cc3)CC2)s1 ZINC000054864578 527262223 /nfs/dbraw/zinc/26/22/23/527262223.db2.gz MVXXLMOJNLXGCB-UHFFFAOYSA-N 1 0 292.383 2.068 10 0 CEAERO [NH3+]Cc1sc2ccccc2c1CN1CCOCC1 ZINC000052377834 527268968 /nfs/dbraw/zinc/26/89/68/527268968.db2.gz NRONGWONNYPKSB-UHFFFAOYSA-N 1 0 262.378 2.192 10 0 CEAERO NNc1cc(C(=O)Nc2ccc(F)c(F)c2F)cc[nH+]1 ZINC000051090040 527273174 /nfs/dbraw/zinc/27/31/74/527273174.db2.gz QJOHGHOYVPBFFJ-UHFFFAOYSA-N 1 0 282.225 2.037 10 0 CEAERO NNc1cc(C(=O)Nc2ccccc2Cl)cc[nH+]1 ZINC000051096459 527274120 /nfs/dbraw/zinc/27/41/20/527274120.db2.gz QBJRMXGNTAAYAG-UHFFFAOYSA-N 1 0 262.700 2.273 10 0 CEAERO NNc1ccc(Cl)c(COc2cccc(CO)c2)[nH+]1 ZINC000061639470 527279990 /nfs/dbraw/zinc/27/99/90/527279990.db2.gz GENNUMZQTOPGKA-UHFFFAOYSA-N 1 0 279.727 2.092 10 0 CEAERO Cc1ncc(COc2ccc3c(c2)OC[C@@H]3[NH3+])s1 ZINC000062803415 527283686 /nfs/dbraw/zinc/28/36/86/527283686.db2.gz NUUIMZPVMYPJOS-LBPRGKRZSA-N 1 0 262.334 2.423 10 0 CEAERO NNc1[nH+]c(N2CCCCCC2)nc2c1CCCC2 ZINC000051153373 527285533 /nfs/dbraw/zinc/28/55/33/527285533.db2.gz HYXJQRLDVBFJSM-UHFFFAOYSA-N 1 0 261.373 2.021 10 0 CEAERO O=S1(=O)CCC[C@@H]([NH2+][C@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC000069136520 527301035 /nfs/dbraw/zinc/30/10/35/527301035.db2.gz YBVNRCGBANIQRR-VWYCJHECSA-N 1 0 299.358 2.274 10 0 CEAERO [NH3+][C@@H](C(=O)NCc1ccc(F)c(F)c1)c1ccccc1 ZINC000049578071 527326613 /nfs/dbraw/zinc/32/66/13/527326613.db2.gz NLYAYNQCVUQOFX-CQSZACIVSA-N 1 0 276.286 2.281 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@H]1NC(=O)CCOc1ccccc1 ZINC000063211020 527341876 /nfs/dbraw/zinc/34/18/76/527341876.db2.gz GOZYZVGLBFQCNG-HUUCEWRRSA-N 1 0 276.380 2.232 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000063173072 527352684 /nfs/dbraw/zinc/35/26/84/527352684.db2.gz HHBWZDSXGAIFRG-MNOVXSKESA-N 1 0 272.270 2.315 10 0 CEAERO [NH3+][C@@H]1CCCc2nc(N3CCSCC3)sc21 ZINC000054894776 527362766 /nfs/dbraw/zinc/36/27/66/527362766.db2.gz OZIJYEPYZHWOED-MRVPVSSYSA-N 1 0 255.412 2.032 10 0 CEAERO [NH3+][C@@H]1Cc2ccccc2[C@@H]1NC(=O)CC[C@@H]1CCCCO1 ZINC000069405646 527377552 /nfs/dbraw/zinc/37/75/52/527377552.db2.gz LNKZQVHJUYGNKY-LXZKKBNFSA-N 1 0 288.391 2.077 10 0 CEAERO [NH3+][C@H](CC[C@H]1CCCCO1)c1ccc2[nH]c(=O)oc2c1 ZINC000069389714 527386018 /nfs/dbraw/zinc/38/60/18/527386018.db2.gz CSTSIVGFTWBGLE-VXGBXAGGSA-N 1 0 276.336 2.470 10 0 CEAERO [NH3+][C@H](Cc1ccc(O)cc1)c1nncn1C1CCCC1 ZINC000054526420 527388122 /nfs/dbraw/zinc/38/81/22/527388122.db2.gz MAVINXWIOKWULZ-CQSZACIVSA-N 1 0 272.352 2.341 10 0 CEAERO [NH3+][C@H]1CCCCC[C@@H]1NC(=O)Cc1noc2ccccc12 ZINC000063211199 527393886 /nfs/dbraw/zinc/39/38/86/527393886.db2.gz UQTCWWUBFMUYPR-STQMWFEESA-N 1 0 287.363 2.147 10 0 CEAERO [NH3+][C@H]1CCOC[C@H]1N1CCC2(CCCCC2)CC1 ZINC000061819285 527411213 /nfs/dbraw/zinc/41/12/13/527411213.db2.gz WQZLCJDBKSXTAJ-UONOGXRCSA-N 1 0 252.402 2.149 10 0 CEAERO [NH3+][C@H]1c2ccccc2CC[C@@H]1S(=O)(=O)c1ccccc1 ZINC000061702635 527421107 /nfs/dbraw/zinc/42/11/07/527421107.db2.gz DXGFZJJXGZOFRE-HOTGVXAUSA-N 1 0 287.384 2.475 10 0 CEAERO Nc1cc(N)[nH+]c(SCc2cc3ccccc3nc2N)n1 ZINC000050839420 527456677 /nfs/dbraw/zinc/45/66/77/527456677.db2.gz XDEWAJRHOAAXRS-UHFFFAOYSA-N 1 0 298.375 2.064 10 0 CEAERO Nc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1CCCO ZINC000052756952 527489828 /nfs/dbraw/zinc/48/98/28/527489828.db2.gz VBLBUZXNMKGJCE-CYBMUJFWSA-N 1 0 252.333 2.145 10 0 CEAERO OCCn1cc(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)cn1 ZINC000068691183 527575842 /nfs/dbraw/zinc/57/58/42/527575842.db2.gz BZYJDYIPXDRHTM-RYUDHWBXSA-N 1 0 291.317 2.086 10 0 CEAERO FC(F)(F)CO[C@@H]1CCC[C@H]([NH2+]Cc2ccncn2)C1 ZINC000054789532 527671788 /nfs/dbraw/zinc/67/17/88/527671788.db2.gz GOYVXJXBYDUSAB-CMPLNLGQSA-N 1 0 289.301 2.456 10 0 CEAERO Cc1nn(C)c(N2CCCO[C@H](C)C2)c1C[NH2+]CC(C)C ZINC000062738343 527676120 /nfs/dbraw/zinc/67/61/20/527676120.db2.gz FDDTTWPIUSPDPQ-CYBMUJFWSA-N 1 0 294.443 2.089 10 0 CEAERO CC(C)[C@@H](C)NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000189636028 528414977 /nfs/dbraw/zinc/41/49/77/528414977.db2.gz ITKISCRTWYOIIS-GFCCVEGCSA-N 1 0 255.406 2.157 10 0 CEAERO CCOCC[N@@H+]1CCN(CCc2scnc2C)C[C@@H]1C ZINC000172535571 528750112 /nfs/dbraw/zinc/75/01/12/528750112.db2.gz FRJAHBCDBVLSFQ-ZDUSSCGKSA-N 1 0 297.468 2.037 10 0 CEAERO CCC1(CC)[C@H]([NH2+]C[C@H](O)COC(C)(C)C)C[C@@H]1OC ZINC000191368637 529108748 /nfs/dbraw/zinc/10/87/48/529108748.db2.gz QGAFFGZQVOFFAK-MJBXVCDLSA-N 1 0 287.444 2.346 10 0 CEAERO CCS(=O)(=O)c1ccccc1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000093213807 529172910 /nfs/dbraw/zinc/17/29/10/529172910.db2.gz PUYWWLKZTGAPQN-NWDGAFQWSA-N 1 0 282.409 2.162 10 0 CEAERO CCC([NH3+])(CC)C(=O)N1CCCc2cccc(OC)c21 ZINC000094244876 535183191 /nfs/dbraw/zinc/18/31/91/535183191.db2.gz UDFCIIRRSAOMHP-UHFFFAOYSA-N 1 0 276.380 2.492 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C)CN1c1ccc(F)cc1OC ZINC000083393360 535825188 /nfs/dbraw/zinc/82/51/88/535825188.db2.gz ZPUYICLBKLOSCU-CMPLNLGQSA-N 1 0 252.333 2.411 10 0 CEAERO C[NH2+][C@@H](C)[C@H]1CCCN(c2ncnc3ccccc32)C1 ZINC000111716911 536350721 /nfs/dbraw/zinc/35/07/21/536350721.db2.gz YDMKMKAOLRINIX-STQMWFEESA-N 1 0 270.380 2.454 10 0 CEAERO C[NH2+][C@@H]1CCCN(c2ccc(F)c(Cl)c2)C1=O ZINC000071038974 536365881 /nfs/dbraw/zinc/36/58/81/536365881.db2.gz HUJWOHSVLLLKGX-LLVKDONJSA-N 1 0 256.708 2.194 10 0 CEAERO C[NH2+][C@@H]1CCN(CCCn2ccnc2)c2ccccc21 ZINC000071325677 536375519 /nfs/dbraw/zinc/37/55/19/536375519.db2.gz FPARNNDJTKIUFU-OAHLLOKOSA-N 1 0 270.380 2.444 10 0 CEAERO CN1CCN(C[C@@H]2CCCCC[NH2+]2)c2ccccc21 ZINC000081038914 536412860 /nfs/dbraw/zinc/41/28/60/536412860.db2.gz FSCGSJBWOWHDMY-AWEZNQCLSA-N 1 0 259.397 2.475 10 0 CEAERO COC(=O)[C@@H](C)[C@@H](C)[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000093036264 536442569 /nfs/dbraw/zinc/44/25/69/536442569.db2.gz LDMKKGXILAFFBU-LSDHHAIUSA-N 1 0 290.407 2.315 10 0 CEAERO COc1ncnc(N2CCC(C[NH2+]C(C)(C)C)CC2)c1C ZINC000090789026 536905368 /nfs/dbraw/zinc/90/53/68/536905368.db2.gz SJZSHUJJUKKIEK-UHFFFAOYSA-N 1 0 292.427 2.398 10 0 CEAERO COc1cccc2c1N(C(=O)[C@H]1CCC[C@H]1C[NH3+])CCC2 ZINC000089458035 536958830 /nfs/dbraw/zinc/95/88/30/536958830.db2.gz ISIJRPGNHFHZET-KBPBESRZSA-N 1 0 288.391 2.349 10 0 CEAERO COc1ccc2c(c1)CCCN2C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091542453 536969809 /nfs/dbraw/zinc/96/98/09/536969809.db2.gz VZHRFRCODDRULA-STQMWFEESA-N 1 0 274.364 2.102 10 0 CEAERO COc1ccccc1N1CC[NH+]([C@@H]2CCCC(=O)C2)CC1 ZINC000093730428 537069409 /nfs/dbraw/zinc/06/94/09/537069409.db2.gz PLYJUFREFUTKPE-CQSZACIVSA-N 1 0 288.391 2.329 10 0 CEAERO COc1cccc(N2CCN([C@@H](C[NH3+])C(C)(C)C)CC2)c1 ZINC000041121075 537124978 /nfs/dbraw/zinc/12/49/78/537124978.db2.gz ZJRDKVCZDGWMPW-INIZCTEOSA-N 1 0 291.439 2.191 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CC[C@@H]2CCCC[C@@H]21 ZINC000227425594 538833891 /nfs/dbraw/zinc/83/38/91/538833891.db2.gz FLWISOKXCPXCHX-XUXIUFHCSA-N 1 0 250.386 2.153 10 0 CEAERO O[C@@H]1c2ccccc2-c2c3c(cc4c2[C@@H]1[NH2+]CC4)OCO3 ZINC000014615642 560223153 /nfs/dbraw/zinc/22/31/53/560223153.db2.gz CKIYSMRPIBQTHQ-JKSUJKDBSA-N 1 0 281.311 2.316 10 0 in-vitro CEAERO Cc1cc(C(C)C)nc(N2CCC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000229924957 574443506 /nfs/dbraw/zinc/44/35/06/574443506.db2.gz HWUCXFAFVWQETQ-QWHCGFSZSA-N 1 0 262.401 2.472 10 0 CEAERO Cc1nn(C)c2sc([C@@H]3[NH2+][C@@H](C)CC[C@H]3N)cc12 ZINC000757215973 574513177 /nfs/dbraw/zinc/51/31/77/574513177.db2.gz ORLSVWDDLPEBGU-HNBZJPLGSA-N 1 0 264.398 2.084 10 0 CEAERO CC[NH+]1CCC2(CC1)N[C@@H](c1ccco1)CCO2 ZINC000757151916 574510871 /nfs/dbraw/zinc/51/08/71/574510871.db2.gz RVUODVIHHPSORA-GFCCVEGCSA-N 1 0 250.342 2.143 10 0 CEAERO CC(C)CNC(=O)N1[C@@H](CC[NH3+])CCC[C@@H]1C(F)(F)F ZINC000675073839 574511292 /nfs/dbraw/zinc/51/12/92/574511292.db2.gz UTGRQUAVEXHFFL-GHMZBOCLSA-N 1 0 295.349 2.486 10 0 CEAERO Cc1ccc2c(c1Br)[C@H](C[NH3+])CC(=O)N2 ZINC000757175991 574511326 /nfs/dbraw/zinc/51/13/26/574511326.db2.gz SWHVFAGUWWKIQX-ZETCQYMHSA-N 1 0 269.142 2.142 10 0 CEAERO OCCN1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2F)C1 ZINC000384794652 574842246 /nfs/dbraw/zinc/84/22/46/574842246.db2.gz XKMLALVNSVIWBD-GFCCVEGCSA-N 1 0 286.778 2.025 10 0 CEAERO Cc1cn2c([nH+]1)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C2 ZINC000236045027 570236748 /nfs/dbraw/zinc/23/67/48/570236748.db2.gz PGKPQHATEHQWES-NWDGAFQWSA-N 1 0 292.383 2.243 10 0 CEAERO Nc1[nH+]ccn1Cc1cc(Br)ccc1F ZINC000037483164 570248520 /nfs/dbraw/zinc/24/85/20/570248520.db2.gz MXKXCBPJBDHCJZ-UHFFFAOYSA-N 1 0 270.105 2.415 10 0 CEAERO CC(C)(C)OC(=O)N1CCC2(CC1)C[NH2+]CC(C)(C)O2 ZINC000725273145 570263661 /nfs/dbraw/zinc/26/36/61/570263661.db2.gz ZOLJMDHJQOTOLB-UHFFFAOYSA-N 1 0 284.400 2.155 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1csc(-c2ccoc2)n1 ZINC000193638232 625598352 /nfs/dbraw/zinc/59/83/52/625598352.db2.gz QWKUBYYRXMISGO-KOLCDFICSA-N 1 0 291.376 2.273 10 0 CEAERO FC1(F)CCCC[C@@H]1C[N@@H+]1CCC2(C1)OCCO2 ZINC000306904555 622845287 /nfs/dbraw/zinc/84/52/87/622845287.db2.gz KBASGCUSIGSYCC-LLVKDONJSA-N 1 0 261.312 2.261 10 0 CEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1cc(C)cc(F)c1 ZINC000757184133 622956725 /nfs/dbraw/zinc/95/67/25/622956725.db2.gz JFEBBEZIBJXDEZ-CHWSQXEVSA-N 1 0 251.301 2.000 10 0 CEAERO COC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(C)cc1Br ZINC000757184756 622957832 /nfs/dbraw/zinc/95/78/32/622957832.db2.gz NCJDKBAAFOUYJC-QWRGUYRKSA-N 1 0 298.180 2.234 10 0 CEAERO C/C(=C/C(=O)NCC[C@@H](C)[NH3+])c1cccc(F)c1 ZINC000255081374 623082353 /nfs/dbraw/zinc/08/23/53/623082353.db2.gz OXFPAEDZVMJJAU-HIJJYWJESA-N 1 0 250.317 2.083 10 0 CEAERO CO[C@H](C)c1nsc(N[C@H](C)[C@H]2CCC[NH2+]C2)n1 ZINC000261590131 623386521 /nfs/dbraw/zinc/38/65/21/623386521.db2.gz WVQWDJZGSGGBNO-BBBLOLIVSA-N 1 0 270.402 2.046 10 0 CEAERO CC(C)(C)SCCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261637304 623411035 /nfs/dbraw/zinc/41/10/35/623411035.db2.gz CHVGRFOYCUFHJA-GHMZBOCLSA-N 1 0 258.431 2.009 10 0 CEAERO Cc1cnc([C@@H](C)NC(=O)[C@H]([NH3+])CC2CCCCC2)o1 ZINC000261778498 623458358 /nfs/dbraw/zinc/45/83/58/623458358.db2.gz PHXNXBFQIMWHNB-DGCLKSJQSA-N 1 0 279.384 2.458 10 0 CEAERO C[C@@H]([NH3+])CC(=O)NCC1CCC(C(F)(F)F)CC1 ZINC000261814289 623480818 /nfs/dbraw/zinc/48/08/18/623480818.db2.gz MBRJZINWYXLSDK-XNWIYYODSA-N 1 0 266.307 2.209 10 0 CEAERO C[C@H]1C[C@@H]([NH2+]C[C@@H]2CN(C)CCO2)CC(C)(C)C1 ZINC000090714890 623489395 /nfs/dbraw/zinc/48/93/95/623489395.db2.gz TWUSNURNJQTYMR-BFHYXJOUSA-N 1 0 254.418 2.121 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000234429645 624027698 /nfs/dbraw/zinc/02/76/98/624027698.db2.gz ZGJZXKWKDBPVNR-MRVPVSSYSA-N 1 0 275.274 2.435 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000234431293 624027963 /nfs/dbraw/zinc/02/79/63/624027963.db2.gz JJPHPMLFENEJMN-XJFOESAGSA-N 1 0 252.402 2.317 10 0 CEAERO C[C@@H]1CN(Cc2cc(F)ccc2Br)C[C@@H]1[NH3+] ZINC000235347093 624711838 /nfs/dbraw/zinc/71/18/38/624711838.db2.gz LOAMJMWMJJMOQS-PELKAZGASA-N 1 0 287.176 2.367 10 0 CEAERO C[C@@H]([NH3+])CN(C)c1ncc(Br)cc1Cl ZINC000235172335 624972055 /nfs/dbraw/zinc/97/20/55/624972055.db2.gz JVVUMACAUOJZRL-ZCFIWIBFSA-N 1 0 278.581 2.281 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@@H]2C[NH2+]C[C@H]2C)cc1F ZINC000235294379 625232207 /nfs/dbraw/zinc/23/22/07/625232207.db2.gz FWSNCJQDAKDMTP-NTZNESFSSA-N 1 0 264.344 2.167 10 0 CEAERO [NH3+]C1(CNc2nccn3nc(C(F)(F)F)cc23)CCC1 ZINC000236213420 625909558 /nfs/dbraw/zinc/90/95/58/625909558.db2.gz HJYHNIRAUUHSLK-UHFFFAOYSA-N 1 0 285.273 2.041 10 0 CEAERO CC(C)(C)SCCNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000236595694 627395688 /nfs/dbraw/zinc/39/56/88/627395688.db2.gz JDJKCNCGQLXBSV-QWRGUYRKSA-N 1 0 258.431 2.152 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]Cc2cc(Cl)cs2)C1 ZINC000165936408 627627187 /nfs/dbraw/zinc/62/71/87/627627187.db2.gz DFYGDMRYSYOFMQ-NSHDSACASA-N 1 0 274.817 2.212 10 0 CEAERO Clc1cncnc1N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000097848144 627640292 /nfs/dbraw/zinc/64/02/92/627640292.db2.gz AHHGMUNCJCNMGD-LBPRGKRZSA-N 1 0 266.776 2.098 10 0 CEAERO C[C@H]1Cc2cc(-c3cnn(CCC[NH3+])c3)ccc2O1 ZINC000311498732 627670632 /nfs/dbraw/zinc/67/06/32/627670632.db2.gz LEDDGDLMIBDJAZ-NSHDSACASA-N 1 0 257.337 2.222 10 0 CEAERO CC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCCCCC2)C1 ZINC000111690243 627827532 /nfs/dbraw/zinc/82/75/32/627827532.db2.gz OKMXBLHNMPLWFY-ZFWWWQNUSA-N 1 0 280.412 2.079 10 0 CEAERO C[NH2+]C[C@@H]1CCCCN1c1ncccc1Br ZINC000053706848 628512466 /nfs/dbraw/zinc/51/24/66/628512466.db2.gz VJDQIKIDIUDUCY-JTQLQIEISA-N 1 0 284.201 2.422 10 0 CEAERO CCC[C@H](OC)c1noc([C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000227314304 628916961 /nfs/dbraw/zinc/91/69/61/628916961.db2.gz BWFUZWZWRLQUKD-MXWKQRLJSA-N 1 0 253.346 2.400 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1Cc1csc(Br)c1 ZINC000261527738 628921858 /nfs/dbraw/zinc/92/18/58/628921858.db2.gz GNUVYGXAHRNLKR-APPZFPTMSA-N 1 0 275.215 2.432 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1c1nc([C@H]2CCCS2)no1 ZINC000250678030 628934261 /nfs/dbraw/zinc/93/42/61/628934261.db2.gz XDAQLELJQRQTSI-LPEHRKFASA-N 1 0 253.371 2.480 10 0 CEAERO Fc1cc(Cl)cnc1N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261550959 628936248 /nfs/dbraw/zinc/93/62/48/628936248.db2.gz LQMXPGHPSAHISF-KCJUWKMLSA-N 1 0 255.724 2.062 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)Nc1ccccc1Cl ZINC000261551906 628936354 /nfs/dbraw/zinc/93/63/54/628936354.db2.gz MODLKYXKOZPNQY-WCBMZHEXSA-N 1 0 253.733 2.293 10 0 CEAERO Cc1cc(Cl)cc(C(=O)N2CC[C@H]([NH3+])[C@H]2C)c1 ZINC000261556408 628938021 /nfs/dbraw/zinc/93/80/21/628938021.db2.gz QOICIFDHODNQKN-SKDRFNHKSA-N 1 0 252.745 2.210 10 0 CEAERO O=C(CC[C@H]1CCC[NH2+]1)NCc1ccc(F)c(F)c1 ZINC000261602216 628944877 /nfs/dbraw/zinc/94/48/77/628944877.db2.gz QKUQFDWHJPCTIL-LLVKDONJSA-N 1 0 268.307 2.113 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)C(C)(C)c1ccc(Cl)cc1 ZINC000261679912 628986511 /nfs/dbraw/zinc/98/65/11/628986511.db2.gz HNTMJURDPBQQCT-JTQLQIEISA-N 1 0 268.788 2.342 10 0 CEAERO C[C@@H]([NH3+])C1CCN(C(=O)[C@H](C)Cc2ccccc2)CC1 ZINC000178867295 629228059 /nfs/dbraw/zinc/22/80/59/629228059.db2.gz FYUNLXKGTXWYED-ZIAGYGMSSA-N 1 0 274.408 2.451 10 0 CEAERO COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccnc(C[NH3+])c1 ZINC000261816890 629255032 /nfs/dbraw/zinc/25/50/32/629255032.db2.gz AIBUOIIXOAYLQT-GFCCVEGCSA-N 1 0 299.374 2.348 10 0 CEAERO CCc1ccc(CCNC(=O)[C@H]([NH3+])[C@@H](C)CC)cc1 ZINC000237070907 629255324 /nfs/dbraw/zinc/25/53/24/629255324.db2.gz JTIZZQWFCXDZKD-SWLSCSKDSA-N 1 0 262.397 2.281 10 0 CEAERO CC[C@H](C)c1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC000261857917 629284364 /nfs/dbraw/zinc/28/43/64/629284364.db2.gz XKTSEAJCCFQTJO-YWPYICTPSA-N 1 0 296.436 2.310 10 0 CEAERO C[C@H]1CN(Cc2cccc(OCC(F)(F)F)c2)C[C@@H]1[NH3+] ZINC000262092160 629832020 /nfs/dbraw/zinc/83/20/20/629832020.db2.gz UVPIDKZYCGIVNG-GWCFXTLKSA-N 1 0 288.313 2.407 10 0 CEAERO CC[C@H]1CC[C@H](C(=O)N[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000262179473 630040850 /nfs/dbraw/zinc/04/08/50/630040850.db2.gz INCAIKZGXHLPCZ-SYQHCUMBSA-N 1 0 252.402 2.460 10 0 CEAERO C[NH2+]C[C@H]1CCCN(c2ccc(OC(F)F)cn2)C1 ZINC000262186808 630050432 /nfs/dbraw/zinc/05/04/32/630050432.db2.gz JHKROMLEGBXOHL-SNVBAGLBSA-N 1 0 271.311 2.119 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1Nc1ccc(OC(F)F)cn1 ZINC000262278523 630598282 /nfs/dbraw/zinc/59/82/82/630598282.db2.gz UIGSJIQNWZYEMX-SCZZXKLOSA-N 1 0 257.284 2.235 10 0 CEAERO Cc1sc([C@@H]2[NH2+][C@@H](C)CC[C@@H]2C[NH3+])cc1C(=O)[O-] ZINC000757238176 631838176 /nfs/dbraw/zinc/83/81/76/631838176.db2.gz RNKSFGIKYZDPHW-LPBBDHJYSA-N 1 0 268.382 2.143 10 0 CEAERO Cc1ccc(CCC(=O)N[C@H]2C[NH+]3CCC2CC3)cc1 ZINC000222568671 639383226 /nfs/dbraw/zinc/38/32/26/639383226.db2.gz DHZOMBSZUMVFIT-INIZCTEOSA-N 1 0 272.392 2.138 10 0 CEAERO CCc1cnccc1-c1noc([C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000167501225 639518922 /nfs/dbraw/zinc/51/89/22/639518922.db2.gz CRMMEPXTLOTSSU-BXKDBHETSA-N 1 0 258.325 2.017 10 0 CEAERO CCC[C@H](OC)c1noc(C[C@@H]2CCC[NH2+]C2)n1 ZINC000227311442 639584768 /nfs/dbraw/zinc/58/47/68/639584768.db2.gz LJCSKFQMNHCHDZ-QWRGUYRKSA-N 1 0 253.346 2.099 10 0 CEAERO C[NH2+][C@H](C)CNCc1sccc1Br ZINC000087575922 639680407 /nfs/dbraw/zinc/68/04/07/639680407.db2.gz HUPBDKMPFIQIIQ-SSDOTTSWSA-N 1 0 263.204 2.208 10 0 CEAERO CCOCc1nc(Cl)cc(N2C[C@@H](C)[C@@H]([NH+](C)C)C2)n1 ZINC000229739938 639718209 /nfs/dbraw/zinc/71/82/09/639718209.db2.gz BHFSDIFRESBBJO-MNOVXSKESA-N 1 0 298.818 2.053 10 0 CEAERO C[NH+](C)[C@@H]1CCN(Cn2ccc(-c3ccc(F)cc3)n2)C1 ZINC000171559934 639722805 /nfs/dbraw/zinc/72/28/05/639722805.db2.gz OVCPUJVZGMINHZ-OAHLLOKOSA-N 1 0 288.370 2.283 10 0 CEAERO Fc1cc(F)cc(-c2noc([C@@H]3CC[NH2+]C3)n2)c1 ZINC000062119720 639736622 /nfs/dbraw/zinc/73/66/22/639736622.db2.gz PXBNKASWHDWQJW-SSDOTTSWSA-N 1 0 251.236 2.092 10 0 CEAERO Cc1cnc([C@H](C)NC(=O)[C@@H]([NH3+])c2ccc(C)cc2)o1 ZINC000231743454 639875801 /nfs/dbraw/zinc/87/58/01/639875801.db2.gz OFWUGHCMGMAVRX-AAEUAGOBSA-N 1 0 273.336 2.169 10 0 CEAERO S=c1sc(C2CC2)nn1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000173897349 639881706 /nfs/dbraw/zinc/88/17/06/639881706.db2.gz MLOUUBZMKZTWEM-NSHDSACASA-N 1 0 296.465 2.289 10 0 CEAERO CC(C)Oc1cc(NCCCCCC[NH3+])ncn1 ZINC000232763305 640068273 /nfs/dbraw/zinc/06/82/73/640068273.db2.gz QJXNBRUPFROJGW-UHFFFAOYSA-N 1 0 252.362 2.195 10 0 CEAERO [NH3+]CCCCCC(=O)NC[C@H](O)c1ccc(Cl)cc1 ZINC000154457513 640903791 /nfs/dbraw/zinc/90/37/91/640903791.db2.gz UKZHHXSBIFUZIP-ZDUSSCGKSA-N 1 0 284.787 2.009 10 0 CEAERO C[C@@H](NC(=O)[C@@H](C[NH3+])c1ccccc1)C1CCCC1 ZINC000070306844 641655607 /nfs/dbraw/zinc/65/56/07/641655607.db2.gz UXNUYJSXIUTMLC-DOMZBBRYSA-N 1 0 260.381 2.424 10 0 CEAERO CC(C)[C@H]([NH3+])CNc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000070447980 641667639 /nfs/dbraw/zinc/66/76/39/641667639.db2.gz IONACMNDOZLPAQ-LLVKDONJSA-N 1 0 292.351 2.078 10 0 CEAERO C[C@H]1CCCN1c1nc(-c2cccnc2)nc2c1CC[NH2+]C2 ZINC000071753860 641804710 /nfs/dbraw/zinc/80/47/10/641804710.db2.gz XDVKQEANEDWRRX-LBPRGKRZSA-N 1 0 295.390 2.173 10 0 CEAERO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCCO1 ZINC000184466247 641865521 /nfs/dbraw/zinc/86/55/21/641865521.db2.gz SCVGXMZUGBYGMX-MELADBBJSA-N 1 0 298.427 2.401 10 0 CEAERO C[NH2+][C@@H]1CCCN(c2ncc(Br)cc2C)C1 ZINC000086708450 643380701 /nfs/dbraw/zinc/38/07/01/643380701.db2.gz UPQVBJOUMFQODI-LLVKDONJSA-N 1 0 284.201 2.341 10 0 CEAERO CC[C@H](NC(=O)COC1CC[NH2+]CC1)c1ccccc1 ZINC000111797189 643959252 /nfs/dbraw/zinc/95/92/52/643959252.db2.gz XGGLSDOOADICOL-HNNXBMFYSA-N 1 0 276.380 2.023 10 0 CEAERO C[C@]1(CNc2ncnc3ccsc32)CCC[NH2+]C1 ZINC000129296411 651904526 /nfs/dbraw/zinc/90/45/26/651904526.db2.gz NXRJMJPUXCSIOY-ZDUSSCGKSA-N 1 0 262.382 2.493 10 0 CEAERO [NH3+]C1CC(CNC(=O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000131496634 652431398 /nfs/dbraw/zinc/43/13/98/652431398.db2.gz CUGDUPNUHCPUMB-UHFFFAOYSA-N 1 0 288.269 2.052 10 0 CEAERO Cc1cc2c(ncnc2N2CC[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000132482307 652525407 /nfs/dbraw/zinc/52/54/07/652525407.db2.gz NQTNFLHZSOQFBX-MNOVXSKESA-N 1 0 274.393 2.330 10 0 CEAERO C[C@@H]([NH2+]CC[S@@](C)=O)c1ccccc1Br ZINC000133795622 652720950 /nfs/dbraw/zinc/72/09/50/652720950.db2.gz CALQJZZBQIIBOM-PSLIRLAXSA-N 1 0 290.226 2.478 10 0 CEAERO CC[C@@](C)(C[NH3+])c1cc(OC)c(OC)cc1OC ZINC000082295731 177950561 /nfs/dbraw/zinc/95/05/61/177950561.db2.gz QAEFJKZIAIYLCZ-AWEZNQCLSA-N 1 0 253.342 2.339 10 0 CEAERO Cc1nc2ccccc2nc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000192806401 282088209 /nfs/dbraw/zinc/08/82/09/282088209.db2.gz VJKKEBYURUOMML-CYBMUJFWSA-N 1 0 268.364 2.223 10 0 CEAERO O=C(OCc1ccccc1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000095643160 185017213 /nfs/dbraw/zinc/01/72/13/185017213.db2.gz QPGFLXGBPNFBPN-UONOGXRCSA-N 1 0 260.337 2.150 10 0 CEAERO NNc1ccc(Cl)c(CSc2cnccn2)[nH+]1 ZINC000082433618 178010421 /nfs/dbraw/zinc/01/04/21/178010421.db2.gz SGIXYTNREBULFY-UHFFFAOYSA-N 1 0 267.745 2.103 10 0 CEAERO CN(C)[C@@]1(C[NH3+])CCc2cc(Br)ccc2C1 ZINC000082491451 178058943 /nfs/dbraw/zinc/05/89/43/178058943.db2.gz XQEQOYJTNVCOBU-ZDUSSCGKSA-N 1 0 283.213 2.197 10 0 CEAERO CS(=O)(=O)CCS[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000082516887 178079014 /nfs/dbraw/zinc/07/90/14/178079014.db2.gz AJJXJIDLECGHRI-QMMMGPOBSA-N 1 0 299.870 2.179 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1ccccc1Br ZINC000082558835 178095523 /nfs/dbraw/zinc/09/55/23/178095523.db2.gz SRBUMYNMWULBPM-DTWKUNHWSA-N 1 0 283.169 2.243 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(F)c(Cl)c2)C1 ZINC000121254266 365542461 /nfs/dbraw/zinc/54/24/61/365542461.db2.gz QBNXRGXOXDTVHZ-SNVBAGLBSA-N 1 0 270.735 2.255 10 0 CEAERO C[C@@H]1CC[C@@H](C(=O)NCCC[N@H+](C)Cc2ccccc2)O1 ZINC000124641875 187147245 /nfs/dbraw/zinc/14/72/45/187147245.db2.gz DAQOGKMAZGBEKN-ZBFHGGJFSA-N 1 0 290.407 2.192 10 0 CEAERO Brc1cnc(OCC[C@H]2CCCC[NH2+]2)nc1 ZINC000082662709 178151592 /nfs/dbraw/zinc/15/15/92/178151592.db2.gz USIVTGXOFIKORW-SNVBAGLBSA-N 1 0 286.173 2.150 10 0 CEAERO CO[C@@H]1C[NH2+][C@@H](c2nc3cc(Cl)ccc3[nH]2)C1 ZINC000034939068 361797675 /nfs/dbraw/zinc/79/76/75/361797675.db2.gz BHUOJUTVIWWRLN-GZMMTYOYSA-N 1 0 251.717 2.266 10 0 CEAERO CSCC[C@H]([NH3+])c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000034939145 361798864 /nfs/dbraw/zinc/79/88/64/361798864.db2.gz VAAKPWVJPWBAEC-QMMMGPOBSA-N 1 0 279.365 2.087 10 0 CEAERO COc1ccc(Cl)cc1[C@@H]([NH3+])c1cnn(C)c1 ZINC000034957638 361800097 /nfs/dbraw/zinc/80/00/97/361800097.db2.gz HUMBLMWQESDRIF-LBPRGKRZSA-N 1 0 251.717 2.130 10 0 CEAERO C[NH2+][C@H](C)C[S@@](=O)c1ccccc1Br ZINC000082747279 178269060 /nfs/dbraw/zinc/26/90/60/178269060.db2.gz AWVDPLCOUPHQHK-CLAHSXSESA-N 1 0 276.199 2.165 10 0 CEAERO C[C@@H]1CC[C@H](C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)O1 ZINC000123272370 365635343 /nfs/dbraw/zinc/63/53/43/365635343.db2.gz QSHYBBRXONASBZ-VNHYZAJKSA-N 1 0 292.379 2.100 10 0 CEAERO C[C@@H](C[NH3+])[C@@H](O)c1cc(Br)ccc1F ZINC000083021727 178334566 /nfs/dbraw/zinc/33/45/66/178334566.db2.gz IJFXOEYERQKFSJ-QUBYGPBYSA-N 1 0 262.122 2.216 10 0 CEAERO C[NH2+][C@H](CO)CSc1ccccc1Br ZINC000082904661 178329494 /nfs/dbraw/zinc/32/94/94/178329494.db2.gz JAVJOTLEWHAFSI-MRVPVSSYSA-N 1 0 276.199 2.122 10 0 CEAERO CC1CC(C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000567674455 299073429 /nfs/dbraw/zinc/07/34/29/299073429.db2.gz LYGXYJHDQCMIMK-UHFFFAOYSA-N 1 0 250.386 2.025 10 0 CEAERO Cc1ccc([S@@](=O)CC2CC[NH2+]CC2)c(C)c1 ZINC000083309232 178380256 /nfs/dbraw/zinc/38/02/56/178380256.db2.gz JGQISLUJULWEML-QGZVFWFLSA-N 1 0 251.395 2.411 10 0 CEAERO OC[C@@H](c1ccccc1)N1CCCC[C@]12CCC[NH2+]C2 ZINC000083301229 178380402 /nfs/dbraw/zinc/38/04/02/178380402.db2.gz HMEPRNJLXKLLQK-DLBZAZTESA-N 1 0 274.408 2.328 10 0 CEAERO CC(C)CC[N@H+](C[C@](N)(CO)c1ccccc1)C1CC1 ZINC000096836927 185115114 /nfs/dbraw/zinc/11/51/14/185115114.db2.gz XNXBSJJQGVUHFP-KRWDZBQOSA-N 1 0 276.424 2.343 10 0 CEAERO Cc1ccc2n1CCN(C(=O)[C@@H]1CCCC[C@@H]1[NH3+])[C@@H]2C ZINC000096837815 185116713 /nfs/dbraw/zinc/11/67/13/185116713.db2.gz WXBVFZNTDJJGRY-MCIONIFRSA-N 1 0 275.396 2.217 10 0 CEAERO CC(C)[NH+]1CCN(Cc2cc(N)ccc2Cl)CC1 ZINC000036170466 361834654 /nfs/dbraw/zinc/83/46/54/361834654.db2.gz HNWXMLNQZQAOAO-UHFFFAOYSA-N 1 0 267.804 2.448 10 0 CEAERO C[NH2+]C[C@H](O)c1cc(OC)c(C(C)C)cc1OC ZINC000096889948 185123728 /nfs/dbraw/zinc/12/37/28/185123728.db2.gz BBIYYMCPXZEEEY-LBPRGKRZSA-N 1 0 253.342 2.080 10 0 CEAERO CC[C@@H]([NH3+])[C@H](O)c1ccc(F)c(Br)c1 ZINC000036779111 361857225 /nfs/dbraw/zinc/85/72/25/361857225.db2.gz VZSDSJIZCRMLRL-NXEZZACHSA-N 1 0 262.122 2.359 10 0 CEAERO CC(C)CC[N@H+](C1CC1)[C@@]1(CN)CCCOCC1 ZINC000096892638 185124651 /nfs/dbraw/zinc/12/46/51/185124651.db2.gz VXIQDQHSXSVBDQ-HNNXBMFYSA-N 1 0 254.418 2.395 10 0 CEAERO C[C@H]1CC[C@H]([NH+]2CCC3(CC2)CCS(=O)(=O)CC3)C1 ZINC000334242176 290633973 /nfs/dbraw/zinc/63/39/73/290633973.db2.gz QDVPEVNMHTWYQQ-KBPBESRZSA-N 1 0 285.453 2.466 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@@H]([NH3+])[C@@H]1C(F)(F)F ZINC000096947022 185137079 /nfs/dbraw/zinc/13/70/79/185137079.db2.gz QNGZBEKMAQFKPH-HTQZYQBOSA-N 1 0 268.279 2.276 10 0 CEAERO [NH3+]C[C@H]1CN(Cc2ccccc2)c2ccccc2O1 ZINC000038999773 361986822 /nfs/dbraw/zinc/98/68/22/361986822.db2.gz IWRIXOAXBXJVAH-AWEZNQCLSA-N 1 0 254.333 2.413 10 0 CEAERO Cc1cc(NC[C@@H]2CCS(=O)(=O)C2)c2ccccc2[nH+]1 ZINC000037982227 361971132 /nfs/dbraw/zinc/97/11/32/361971132.db2.gz GOBPKLGDJHZCBU-LBPRGKRZSA-N 1 0 290.388 2.390 10 0 CEAERO C[NH2+]C[C@H]1CCCN(c2ccc(Br)cn2)C1 ZINC000040602095 361995751 /nfs/dbraw/zinc/99/57/51/361995751.db2.gz UDGJQRNBHFSHCM-SNVBAGLBSA-N 1 0 284.201 2.280 10 0 CEAERO CC1CCC(NC(=O)OC(C)(C)C)(C(N)=[NH2+])CC1 ZINC000070660239 539031726 /nfs/dbraw/zinc/03/17/26/539031726.db2.gz ZSHOLEOKCQDZKN-UHFFFAOYSA-N 1 0 255.362 2.396 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)c1cscc1C(F)(F)F ZINC000621657398 349653049 /nfs/dbraw/zinc/65/30/49/349653049.db2.gz JOXKLGSMLRGZHQ-ZCFIWIBFSA-N 1 0 266.288 2.105 10 0 CEAERO C[C@H]1CN(C(=O)c2cscc2C(F)(F)F)C[C@H]1[NH3+] ZINC000621663982 349655145 /nfs/dbraw/zinc/65/51/45/349655145.db2.gz HLCKXBAIHSTWRX-IMTBSYHQSA-N 1 0 278.299 2.186 10 0 CEAERO C[C@@H]1CN(c2nc3ccc(N)cc3s2)C[C@@H]1[NH+](C)C ZINC000123469598 539176900 /nfs/dbraw/zinc/17/69/00/539176900.db2.gz AHRPPIKEHIZQIO-SKDRFNHKSA-N 1 0 276.409 2.265 10 0 CEAERO Cc1oc(C)c(C(=O)N(C)[C@@H]2CCC[NH2+]CC2)c1C ZINC000226456831 539172142 /nfs/dbraw/zinc/17/21/42/539172142.db2.gz LZFRNZTYAYBIEE-CYBMUJFWSA-N 1 0 264.369 2.419 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[C@@H]2CCCC[C@@H]21 ZINC000226573666 539172643 /nfs/dbraw/zinc/17/26/43/539172643.db2.gz RQWYVFLDCXDJGI-RFGFWPKPSA-N 1 0 250.386 2.166 10 0 CEAERO CCC(CC)N(CCOC)C(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000094647797 282183862 /nfs/dbraw/zinc/18/38/62/282183862.db2.gz HALRJZVDGJOGEK-OCCSQVGLSA-N 1 0 270.417 2.038 10 0 CEAERO [NH3+][C@@H]1C[C@]12CNc1c2cc(Br)cc1Cl ZINC000725247492 539192603 /nfs/dbraw/zinc/19/26/03/539192603.db2.gz OJVUEEFXZFAXMS-PSASIEDQSA-N 1 0 273.561 2.497 10 0 CEAERO CCC[C@H](C)NC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000668541497 539194727 /nfs/dbraw/zinc/19/47/27/539194727.db2.gz PNVTUEVMZXXUGT-LBPRGKRZSA-N 1 0 267.417 2.349 10 0 CEAERO C[C@@H]1C[C@H](C)C[C@@]([NH3+])(CNC(=O)NC2CCCC2)C1 ZINC000725255163 539201061 /nfs/dbraw/zinc/20/10/61/539201061.db2.gz UQJJVTMKXDOAEW-JJLQDPRZSA-N 1 0 267.417 2.382 10 0 CEAERO CC(C)(C)NC(=O)N[C@@H]1CC[NH2+]CC[C@@H]1C(F)(F)F ZINC000725262954 539211938 /nfs/dbraw/zinc/21/19/38/539211938.db2.gz WNOTUXMXFYUUFB-DTWKUNHWSA-N 1 0 281.322 2.015 10 0 CEAERO CC(C)CC(=O)N1CC[C@@H]([NH3+])[C@@H](C(F)(F)F)CC1 ZINC000725262960 539211940 /nfs/dbraw/zinc/21/19/40/539211940.db2.gz XUKVIBFASJYHMA-VHSXEESVSA-N 1 0 266.307 2.161 10 0 CEAERO CC(C)(C)C(=O)N1CC[C@@H]2CC[C@]21[C@@H]1CCC[NH2+]C1 ZINC000725263533 539212315 /nfs/dbraw/zinc/21/23/15/539212315.db2.gz OISRSRPRFPSRBJ-WOSRLPQWSA-N 1 0 264.413 2.413 10 0 CEAERO CC(C)[C@H](C)NC(=O)N[C@@]12CC[NH2+][C@H]1CCCC2 ZINC000725264051 539212547 /nfs/dbraw/zinc/21/25/47/539212547.db2.gz BAMDMYOIHHLTDA-OBJOEFQTSA-N 1 0 253.390 2.005 10 0 CEAERO C[C@H](c1cnn(CC2CCC2)c1)[NH+]1CCC(O)CC1 ZINC000725264339 539212733 /nfs/dbraw/zinc/21/27/33/539212733.db2.gz HWFWHMKFNPXXJQ-GFCCVEGCSA-N 1 0 263.385 2.201 10 0 CEAERO Cc1nc(Cl)c(F)c(N2CC[NH+](CC(C)C)CC2)n1 ZINC000725272494 539215639 /nfs/dbraw/zinc/21/56/39/539215639.db2.gz HSTTUNIYJJSILX-UHFFFAOYSA-N 1 0 286.782 2.356 10 0 CEAERO C[C@@H]([NH2+]CC1(O)CCSCC1)c1cscn1 ZINC000127861434 539250480 /nfs/dbraw/zinc/25/04/80/539250480.db2.gz ABQBMPUQILASHO-SECBINFHSA-N 1 0 258.412 2.052 10 0 CEAERO OCC[C@H]1CC[N@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000128034288 539251284 /nfs/dbraw/zinc/25/12/84/539251284.db2.gz PDNWZCJIAUTZCE-KGLIPLIRSA-N 1 0 261.365 2.257 10 0 CEAERO C[C@@H](NC(=O)CC1([NH3+])CC1)c1ccccc1Cl ZINC000398240820 539261829 /nfs/dbraw/zinc/26/18/29/539261829.db2.gz YXCNPBLNASTICU-SECBINFHSA-N 1 0 252.745 2.399 10 0 CEAERO C[C@H]1CCCCC[C@H]1[NH2+]C1CCN(CCO)CC1 ZINC000399178795 539263903 /nfs/dbraw/zinc/26/39/03/539263903.db2.gz KSTXQPHMMIAZTE-DZGCQCFKSA-N 1 0 254.418 2.002 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)NCc1ccccc1OC(F)(F)F ZINC000040855962 362006510 /nfs/dbraw/zinc/00/65/10/362006510.db2.gz PORNBZSSBUYUJP-SNVBAGLBSA-N 1 0 290.285 2.329 10 0 CEAERO [NH3+]C1CCC(C(=O)NCc2ccccc2OC(F)F)CC1 ZINC000040856693 362008478 /nfs/dbraw/zinc/00/84/78/362008478.db2.gz UWXPHXTVBMEYID-UHFFFAOYSA-N 1 0 298.333 2.422 10 0 CEAERO c1ccc(N2CC[NH2+]CC2)c(OCc2cccnc2)c1 ZINC000043461320 362145754 /nfs/dbraw/zinc/14/57/54/362145754.db2.gz XFAQTRVGHUKGPS-UHFFFAOYSA-N 1 0 269.348 2.070 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1ccccc1Br)N(C)C ZINC000043090894 362134910 /nfs/dbraw/zinc/13/49/10/362134910.db2.gz DOOMHBYHWTWAAE-KCJUWKMLSA-N 1 0 257.175 2.399 10 0 CEAERO COc1c(N)c(C2=[NH+]CCN2)ccc1OCc1ccccc1 ZINC000003866594 343352187 /nfs/dbraw/zinc/35/21/87/343352187.db2.gz RFLYNKLBDDVAJL-UHFFFAOYSA-N 1 0 297.358 2.206 10 0 CEAERO CCCCc1nc(N)nc(NCCc2ccccc2)n1 ZINC000003610545 343352335 /nfs/dbraw/zinc/35/23/35/343352335.db2.gz MKUGDFNXCFUTKW-UHFFFAOYSA-N 1 0 271.368 2.451 10 0 CEAERO CC(C)[C@](CCC[NH+](C)C)(C(N)=O)c1ccccc1 ZINC000003635876 343352600 /nfs/dbraw/zinc/35/26/00/343352600.db2.gz VNEUUVINIIKERW-INIZCTEOSA-N 1 0 262.397 2.408 10 0 CEAERO COc1ccccc1OC[C@H](O)C[NH2+]Cc1ccccc1 ZINC000032139956 343411933 /nfs/dbraw/zinc/41/19/33/343411933.db2.gz QJDRQGLCRGLWJM-OAHLLOKOSA-N 1 0 287.359 2.225 10 0 CEAERO COc1ccc2c(c1)-c1c(cnn1C[C@H](C)[NH3+])CC2 ZINC000033827770 343418289 /nfs/dbraw/zinc/41/82/89/343418289.db2.gz KCFYPWYDTZRWGE-JTQLQIEISA-N 1 0 257.337 2.005 10 0 CEAERO c1ccc2c(c1)[nH]c1c2[C@@H](CN2CCCC2)[NH2+]CC1 ZINC000034628821 343420424 /nfs/dbraw/zinc/42/04/24/343420424.db2.gz ZQKMKRYINDDSRI-OAHLLOKOSA-N 1 0 255.365 2.451 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(Cn2cccn2)c1 ZINC000037003424 343425005 /nfs/dbraw/zinc/42/50/05/343425005.db2.gz NVAHFLMXQMNKNF-IUODEOHRSA-N 1 0 286.379 2.243 10 0 CEAERO Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCC[C@H](O)C2)o1 ZINC000037321345 343426602 /nfs/dbraw/zinc/42/66/02/343426602.db2.gz CFGCUCREYLPPTE-STQMWFEESA-N 1 0 275.352 2.371 10 0 CEAERO O=C(CC[NH2+]C1CC1)N[C@H]1CCCC[C@H]1C(F)(F)F ZINC000037613439 343429868 /nfs/dbraw/zinc/42/98/68/343429868.db2.gz LXWQSZRGTQPENY-MNOVXSKESA-N 1 0 278.318 2.366 10 0 CEAERO C[C@@H](CCNC(=O)N1CCS[C@@H](C)C1)[NH+]1CCCCC1 ZINC000182660247 312827120 /nfs/dbraw/zinc/82/71/20/312827120.db2.gz CCYVEBGTBJAGPB-KBPBESRZSA-N 1 0 299.484 2.398 10 0 CEAERO Cc1ccccc1OCCN(C)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054307755 343587239 /nfs/dbraw/zinc/58/72/39/343587239.db2.gz YNDOJFCTVZWBFC-HNNXBMFYSA-N 1 0 290.407 2.222 10 0 CEAERO CC(C)N(Cc1ccccn1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054308074 343587277 /nfs/dbraw/zinc/58/72/77/343587277.db2.gz XLMSBZUBIXFSDO-CQSZACIVSA-N 1 0 275.396 2.208 10 0 CEAERO OCCN1CCC([NH2+][C@H]2CCCC[C@H]2C2CC2)CC1 ZINC000679577854 539330742 /nfs/dbraw/zinc/33/07/42/539330742.db2.gz WGZKVTWBDTZCTL-HOTGVXAUSA-N 1 0 266.429 2.002 10 0 CEAERO Fc1cc(Cl)cnc1N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261550958 282961181 /nfs/dbraw/zinc/96/11/81/282961181.db2.gz LQMXPGHPSAHISF-GZMMTYOYSA-N 1 0 255.724 2.062 10 0 CEAERO C[C@@H](Cc1cccs1)[NH2+]C[C@@H](O)COCc1ccco1 ZINC000071270607 343800627 /nfs/dbraw/zinc/80/06/27/343800627.db2.gz ZJUFKOQYGOQNQG-QWHCGFSZSA-N 1 0 295.404 2.439 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)Nc1ccc(Br)cn1 ZINC000083604079 178612253 /nfs/dbraw/zinc/61/22/53/178612253.db2.gz XNYMFVUJWPJEJC-QMMMGPOBSA-N 1 0 286.173 2.158 10 0 CEAERO CCCOc1cccc(CN2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000128194270 187356699 /nfs/dbraw/zinc/35/66/99/187356699.db2.gz OAPJWRVDSPEZSC-KRWDZBQOSA-N 1 0 292.423 2.238 10 0 CEAERO CC(C)[NH+]1CCN(c2ncc(-c3cccnc3)cn2)CC1 ZINC000088343267 344108813 /nfs/dbraw/zinc/10/88/13/344108813.db2.gz XWNKTJQWXJUEQS-UHFFFAOYSA-N 1 0 283.379 2.069 10 0 CEAERO CCc1ccccc1CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000084203215 344082750 /nfs/dbraw/zinc/08/27/50/344082750.db2.gz TVIRAALDLGUSSF-CYBMUJFWSA-N 1 0 260.381 2.255 10 0 CEAERO CCCc1nnc(NC[C@H](C2CC2)[NH+](C)C)s1 ZINC000091481640 344164893 /nfs/dbraw/zinc/16/48/93/344164893.db2.gz UCCSQUGPINGHPV-SNVBAGLBSA-N 1 0 254.403 2.243 10 0 CEAERO C[N@@H+](Cc1ccccc1)C[C@@H](O)CN(CC(F)F)C1CC1 ZINC000106936278 344259729 /nfs/dbraw/zinc/25/97/29/344259729.db2.gz RRKCRIVJMOFNRX-OAHLLOKOSA-N 1 0 298.377 2.209 10 0 CEAERO COc1cccc([C@H](O)C[NH2+]C[C@@H](C)N2CCCCC2)c1 ZINC000083635612 178651670 /nfs/dbraw/zinc/65/16/70/178651670.db2.gz KIQROMTUGLWLOD-RHSMWYFYSA-N 1 0 292.423 2.193 10 0 CEAERO COc1ccc2c(c1)CC[NH2+][C@@H]2CN1CCCCC1 ZINC000113592169 344277462 /nfs/dbraw/zinc/27/74/62/344277462.db2.gz NJMCQINNLWKANS-MRXNPFEDSA-N 1 0 260.381 2.368 10 0 CEAERO CCC(CC)C[NH2+]C[C@H](O)COCc1ccco1 ZINC000125040774 344318367 /nfs/dbraw/zinc/31/83/67/344318367.db2.gz IQUDPVLPYNGWAQ-ZDUSSCGKSA-N 1 0 255.358 2.183 10 0 CEAERO [NH2+]=C1NC[C@@H](c2ccc(Cl)cc2Br)N1 ZINC000126936613 344327103 /nfs/dbraw/zinc/32/71/03/344327103.db2.gz OOWXRJVYDPWDHA-QMMMGPOBSA-N 1 0 274.549 2.062 10 0 CEAERO CO[C@]1(C[NH3+])CCc2cc(Br)ccc21 ZINC000128025915 344333654 /nfs/dbraw/zinc/33/36/54/344333654.db2.gz XZGRNYOVOIOPJB-NSHDSACASA-N 1 0 256.143 2.196 10 0 CEAERO CSc1cccc(NC(=O)C(C)(C)N2CC[NH2+]CC2)c1 ZINC000129572493 344345013 /nfs/dbraw/zinc/34/50/13/344345013.db2.gz SRZVWQHIOSJBBR-UHFFFAOYSA-N 1 0 293.436 2.031 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](C(=O)Nc2cccc3ccncc32)C1 ZINC000131157976 344356926 /nfs/dbraw/zinc/35/69/26/344356926.db2.gz PYKVQZPQJFDVQK-VXGBXAGGSA-N 1 0 255.321 2.301 10 0 CEAERO CCOc1cc(C)nc(N2CC[NH+](C3CCCC3)CC2)n1 ZINC000121536060 344303173 /nfs/dbraw/zinc/30/31/73/344303173.db2.gz RGNLEXXJNLHFQE-UHFFFAOYSA-N 1 0 290.411 2.248 10 0 CEAERO CC(C)c1nsc(N(C)CC[C@H]([NH3+])C(C)C)n1 ZINC000133606141 344369615 /nfs/dbraw/zinc/36/96/15/344369615.db2.gz RPOKSJMVIRHCPN-JTQLQIEISA-N 1 0 256.419 2.471 10 0 CEAERO CC(C)[C@@H]([NH3+])CCN(C)c1ncnc2ccccc21 ZINC000133601602 344369853 /nfs/dbraw/zinc/36/98/53/344369853.db2.gz LDIYRPZMDWQFOY-ZDUSSCGKSA-N 1 0 258.369 2.439 10 0 CEAERO Cc1ccc(Br)c(NC(=O)[C@@H](C)[NH3+])c1 ZINC000134864851 344377841 /nfs/dbraw/zinc/37/78/41/344377841.db2.gz VFVGWIWFIZKPRQ-SSDOTTSWSA-N 1 0 257.131 2.043 10 0 CEAERO CCOC(=O)c1ccc(NC(=O)[C@]2(C)CCCC[NH2+]2)cc1 ZINC000136130488 344384167 /nfs/dbraw/zinc/38/41/67/344384167.db2.gz XAZOGGILUYSRJZ-INIZCTEOSA-N 1 0 290.363 2.334 10 0 CEAERO CC(C)(C[NH3+])c1csc(-c2ccnc3n[nH]cc32)n1 ZINC000139600782 344394621 /nfs/dbraw/zinc/39/46/21/344394621.db2.gz UECXAQCCJSTDAT-UHFFFAOYSA-N 1 0 273.365 2.318 10 0 CEAERO C[C@@H]([NH3+])[C@H](O)c1ccc(Br)cc1Cl ZINC000161040287 344463091 /nfs/dbraw/zinc/46/30/91/344463091.db2.gz LTRYGYQQHNPGAV-ANLVUFKYSA-N 1 0 264.550 2.483 10 0 CEAERO CC(C)CCn1cccc1C[NH2+]C[C@@H](C)N1CCOCC1 ZINC000161583619 344464868 /nfs/dbraw/zinc/46/48/68/344464868.db2.gz YYOMKUCQBKVADZ-MRXNPFEDSA-N 1 0 293.455 2.345 10 0 CEAERO C[C@H]([NH3+])C[C@H](C)Nc1nnc(C(F)(F)F)s1 ZINC000168120661 344479723 /nfs/dbraw/zinc/47/97/23/344479723.db2.gz XXQGTFOOVZJUTO-WHFBIAKZSA-N 1 0 254.281 2.095 10 0 CEAERO CCc1cc(N2CC[NH+](C)CC2)nc2ccc(N)cc12 ZINC000168805641 344481111 /nfs/dbraw/zinc/48/11/11/344481111.db2.gz PGMZAPKSQAWAPO-UHFFFAOYSA-N 1 0 270.380 2.131 10 0 CEAERO CCCC[C@H](CC)C[N@@H+]1CCC(O)=C(C(=O)OC)C1 ZINC000169676076 344481979 /nfs/dbraw/zinc/48/19/79/344481979.db2.gz LTRLWTREJPLHDV-STQMWFEESA-N 1 0 269.385 2.267 10 0 CEAERO CCCCS[C@@H](C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170864617 344491646 /nfs/dbraw/zinc/49/16/46/344491646.db2.gz FLIKDMSABDSWOU-NWDGAFQWSA-N 1 0 258.431 2.071 10 0 CEAERO Cc1ccc(S(=O)(=O)N(C)[C@H]2CCC[NH2+]CC2)c(C)c1 ZINC000226463980 344550237 /nfs/dbraw/zinc/55/02/37/344550237.db2.gz JBVKJJQESUTKJD-AWEZNQCLSA-N 1 0 296.436 2.066 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC[C@@H]2CCCC[C@@H]21 ZINC000226573677 344550802 /nfs/dbraw/zinc/55/08/02/344550802.db2.gz RQWYVFLDCXDJGI-RQJABVFESA-N 1 0 250.386 2.166 10 0 CEAERO Cc1cccc(CC[C@@H](C)[NH2+][C@@H]2CCCNC2=O)c1 ZINC000050395491 362419783 /nfs/dbraw/zinc/41/97/83/362419783.db2.gz LQDKJNIRNBKKJP-UKRRQHHQSA-N 1 0 260.381 2.184 10 0 CEAERO C[C@H](C[NH3+])Nc1ccc(I)cc1 ZINC000235467589 344591699 /nfs/dbraw/zinc/59/16/99/344591699.db2.gz RTIVMGFVVOYQSZ-SSDOTTSWSA-N 1 0 276.121 2.050 10 0 CEAERO Cc1cnn(CC[NH2+]Cc2ccc3[nH]ccc3c2)c1 ZINC000236009250 344593535 /nfs/dbraw/zinc/59/35/35/344593535.db2.gz NJXNWIZFTBBLOP-UHFFFAOYSA-N 1 0 254.337 2.463 10 0 CEAERO Cn1ncc(Br)c1[C@H]([NH3+])[C@@H]1CC1(C)C ZINC000236088376 344594347 /nfs/dbraw/zinc/59/43/47/344594347.db2.gz VWXQWLCDECFFOX-POYBYMJQSA-N 1 0 258.163 2.229 10 0 CEAERO [NH3+]CC[C@@H](O)c1cc(Cl)cc(Br)c1 ZINC000236256607 344595072 /nfs/dbraw/zinc/59/50/72/344595072.db2.gz RALHHWXUCHAMNO-SECBINFHSA-N 1 0 264.550 2.485 10 0 CEAERO Nc1c[nH+]cc(Br)c1NCC(F)F ZINC000236371779 344595540 /nfs/dbraw/zinc/59/55/40/344595540.db2.gz VWBRHNHIIYBQSJ-UHFFFAOYSA-N 1 0 252.062 2.103 10 0 CEAERO CC(C)Oc1cncc(N[C@@H](C[NH3+])C2CCCC2)n1 ZINC000232693756 344578609 /nfs/dbraw/zinc/57/86/09/344578609.db2.gz UKJQKOUSFYXDAH-LBPRGKRZSA-N 1 0 264.373 2.193 10 0 CEAERO CN(CC1CC1)c1c(N)c[nH+]cc1Br ZINC000234288492 344584296 /nfs/dbraw/zinc/58/42/96/344584296.db2.gz QZAGFPIBQWWPLK-UHFFFAOYSA-N 1 0 256.147 2.273 10 0 CEAERO CN1CCC[C@@H]([NH3+])[C@@H]1c1occc1Br ZINC000234338643 344584344 /nfs/dbraw/zinc/58/43/44/344584344.db2.gz RKBPYSKBBSCSGV-RKDXNWHRSA-N 1 0 259.147 2.136 10 0 CEAERO CN[C@H](C[NH3+])c1ccc(Br)c(Cl)c1 ZINC000234447647 344584814 /nfs/dbraw/zinc/58/48/14/344584814.db2.gz AJGJVXWOHUTHPP-SECBINFHSA-N 1 0 263.566 2.322 10 0 CEAERO CC(C)(C)C1CCN(C(=O)C2(C[NH3+])CCOCC2)CC1 ZINC000050347909 362415539 /nfs/dbraw/zinc/41/55/39/362415539.db2.gz JKPLUBQYVIKWPI-UHFFFAOYSA-N 1 0 282.428 2.027 10 0 CEAERO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2CCCO)cc1C ZINC000052762887 362473949 /nfs/dbraw/zinc/47/39/49/362473949.db2.gz IKYQNVZYOJFBQR-MRXNPFEDSA-N 1 0 290.407 2.479 10 0 CEAERO C[NH2+][C@H]1CCCN(c2nc3ccccc3nc2C)C1 ZINC000053205002 362487619 /nfs/dbraw/zinc/48/76/19/362487619.db2.gz UUGIRIVTQNPEFW-LBPRGKRZSA-N 1 0 256.353 2.126 10 0 CEAERO [NH3+][C@@H](CO)c1ccc(Br)cc1Br ZINC000238590175 344607098 /nfs/dbraw/zinc/60/70/98/344607098.db2.gz COYKEBHYYIQZEZ-QMMMGPOBSA-N 1 0 294.974 2.204 10 0 CEAERO C[C@@H]1CC[C@H](NC(=O)C[C@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000252115451 344638568 /nfs/dbraw/zinc/63/85/68/344638568.db2.gz KDTWXTFSZGBDFJ-RQJABVFESA-N 1 0 252.402 2.317 10 0 CEAERO C[C@@H]1C[NH2+]CC[C@@H]1Nc1cnn(Cc2ccccc2)c1 ZINC000307362744 344721906 /nfs/dbraw/zinc/72/19/06/344721906.db2.gz JEVSSFRRNIDMQK-CJNGLKHVSA-N 1 0 270.380 2.341 10 0 CEAERO CCC[C@@H]1C[C@@H]1NC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000300576551 344700705 /nfs/dbraw/zinc/70/07/05/344700705.db2.gz CFZXVVAYXJTDBO-UGFHNGPFSA-N 1 0 258.365 2.178 10 0 CEAERO CCCCOC[C@H](O)C[NH2+][C@@H]1CCC[C@H](SC)C1 ZINC000300661466 344701024 /nfs/dbraw/zinc/70/10/24/344701024.db2.gz KGUMRWQOQDDHGV-MCIONIFRSA-N 1 0 275.458 2.428 10 0 CEAERO C[C@H](C[C@H](C)[NH3+])Nc1cncc(Br)c1 ZINC000306248658 344712455 /nfs/dbraw/zinc/71/24/55/344712455.db2.gz HSDZMYRYKVJGAZ-JGVFFNPUSA-N 1 0 258.163 2.382 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](O)c1cccc(I)c1 ZINC000306230102 344712625 /nfs/dbraw/zinc/71/26/25/344712625.db2.gz IYKHSGXCMZLIAT-ZJUUUORDSA-N 1 0 291.132 2.062 10 0 CEAERO O[C@H](c1sccc1Br)[C@H]1C=CC[NH2+]1 ZINC000306254319 344712745 /nfs/dbraw/zinc/71/27/45/344712745.db2.gz OAHHPMIISHSMLY-SFYZADRCSA-N 1 0 260.156 2.072 10 0 CEAERO CN1CC[C@@H](C[NH2+][C@@H]2CCSC2)[C@@H]1c1cccnc1 ZINC000328639483 344757090 /nfs/dbraw/zinc/75/70/90/344757090.db2.gz POEWTFPGSZKVRE-ZNMIVQPWSA-N 1 0 277.437 2.170 10 0 CEAERO CC(C)C1([NH2+]C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000379457221 344821149 /nfs/dbraw/zinc/82/11/49/344821149.db2.gz VTWBJMGNMBJYPV-CQSZACIVSA-N 1 0 274.364 2.076 10 0 CEAERO C[C@@H]1Nc2ccccc2C[C@H]1C(=O)N(C)CCC[NH+](C)C ZINC000083768021 178744743 /nfs/dbraw/zinc/74/47/43/178744743.db2.gz KMFMRECQZBVRJV-DZGCQCFKSA-N 1 0 289.423 2.069 10 0 CEAERO C[C@@H]1CC[C@@H](Nc2c(F)cccc2[N+](=O)[O-])C[NH2+]1 ZINC000398964616 344856357 /nfs/dbraw/zinc/85/63/57/344856357.db2.gz PRSDTMQEMOLBQA-RKDXNWHRSA-N 1 0 253.277 2.286 10 0 CEAERO C[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2C#N)C[NH2+]1 ZINC000399022938 344856394 /nfs/dbraw/zinc/85/63/94/344856394.db2.gz IRRXWWGECBURTB-ONGXEEELSA-N 1 0 260.297 2.019 10 0 CEAERO CCC[C@H]([NH3+])C[S@@](=O)c1ccc2c(c1)CCC2 ZINC000084030832 178773158 /nfs/dbraw/zinc/77/31/58/178773158.db2.gz ZGKJAIGGGWXKGX-GUYCJALGSA-N 1 0 251.395 2.410 10 0 CEAERO CC[NH2+][C@H](C)CC[S@](=O)c1ccc(F)cc1F ZINC000084032230 178773185 /nfs/dbraw/zinc/77/31/85/178773185.db2.gz UUSQWSCYQPMBCF-VVVCHXIZSA-N 1 0 261.337 2.461 10 0 CEAERO CC(C)(C)[S@@](=O)C[C@@H]([NH3+])c1ccc2c(c1)OCCO2 ZINC000084009038 178771766 /nfs/dbraw/zinc/77/17/66/178771766.db2.gz WGLDMQCRTOBMKG-NSPYISDASA-N 1 0 283.393 2.005 10 0 CEAERO CCOc1ccc([C@H](C)[NH2+]C)cc1C[S@@](=O)CCOC ZINC000084035561 178775802 /nfs/dbraw/zinc/77/58/02/178775802.db2.gz UWHSJBXBBKOZHO-FKIZINRSSA-N 1 0 299.436 2.261 10 0 CEAERO Nc1ccc(Br)cc1C[NH2+][C@H]1CC[C@H](O)CC1 ZINC000514286960 344925690 /nfs/dbraw/zinc/92/56/90/344925690.db2.gz UDTUIMUXTYRTTQ-HAQNSBGRSA-N 1 0 299.212 2.424 10 0 CEAERO Cc1noc(C(C)C)c1C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261659654 282376852 /nfs/dbraw/zinc/37/68/52/282376852.db2.gz BAFZDBSAPKUNBK-LLVKDONJSA-N 1 0 279.384 2.306 10 0 CEAERO COC(=O)c1c(OC)cccc1O[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000584597152 344961784 /nfs/dbraw/zinc/96/17/84/344961784.db2.gz HCLXQCBFKIWFDF-GHMZBOCLSA-N 1 0 279.336 2.001 10 0 CEAERO [NH3+][C@H]1COc2ccc(O)cc2[C@H]1Cc1ccccc1 ZINC000584626208 344968164 /nfs/dbraw/zinc/96/81/64/344968164.db2.gz GRWMSSIDXVLXKN-HIFRSBDPSA-N 1 0 255.317 2.438 10 0 CEAERO [NH3+]CCCCCn1nc(-c2ccccc2)ccc1=O ZINC000584630470 344969316 /nfs/dbraw/zinc/96/93/16/344969316.db2.gz DSRHGOGUNZRBJZ-UHFFFAOYSA-N 1 0 257.337 2.039 10 0 CEAERO CCCCC[N@@H+]1CCN2C(=O)N(CC)CC[C@@H]2C1 ZINC000584639969 344971531 /nfs/dbraw/zinc/97/15/31/344971531.db2.gz ABYDLGQANHIICG-CYBMUJFWSA-N 1 0 253.390 2.008 10 0 CEAERO Cc1ccc([C@@H]2NC(=[NH2+])Nc3c4cccnc4nn32)cc1 ZINC000584653145 344973460 /nfs/dbraw/zinc/97/34/60/344973460.db2.gz DXVWXKNJGPXHHM-CYBMUJFWSA-N 1 0 278.319 2.236 10 0 CEAERO COCc1ccc(C[NH2+][C@H](CC(C)C)CN(C)C)o1 ZINC000127349610 187298589 /nfs/dbraw/zinc/29/85/89/187298589.db2.gz ZCDHFWTVWRWFJP-CYBMUJFWSA-N 1 0 268.401 2.492 10 0 CEAERO CC[C@H]1[C@@H]([NH2+]C)c2cc(C)c(C)cc2S1(=O)=O ZINC000084119066 178796091 /nfs/dbraw/zinc/79/60/91/178796091.db2.gz WBHKVAJBCJCURL-AAEUAGOBSA-N 1 0 253.367 2.130 10 0 CEAERO CCNC(=O)[C@@H](C)Sc1cccc([C@H](C)[NH3+])c1 ZINC000084123106 178797886 /nfs/dbraw/zinc/79/78/86/178797886.db2.gz GWBNSQJPKFHDJE-VHSXEESVSA-N 1 0 252.383 2.323 10 0 CEAERO CN(Cc1cccs1)C(=O)CC1([NH3+])CCCC1 ZINC000084164188 178810683 /nfs/dbraw/zinc/81/06/83/178810683.db2.gz BGEXYFOEILQQMA-UHFFFAOYSA-N 1 0 252.383 2.368 10 0 CEAERO C[NH2+]Cc1ccn(-c2ccc(Br)c(F)c2)n1 ZINC000084179361 178816157 /nfs/dbraw/zinc/81/61/57/178816157.db2.gz JQAHYZOOMARHRB-UHFFFAOYSA-N 1 0 284.132 2.493 10 0 CEAERO Cc1cc(NC(=O)CC(C)(C)[NH3+])ccc1N1CCCC1=O ZINC000084184457 178819006 /nfs/dbraw/zinc/81/90/06/178819006.db2.gz MZHHEZJFCKKWQY-UHFFFAOYSA-N 1 0 289.379 2.188 10 0 CEAERO C[NH2+][C@H](C[C@H]1CCS(=O)(=O)C1)c1cccc(C)c1C ZINC000097074898 185522372 /nfs/dbraw/zinc/52/23/72/185522372.db2.gz WWYLIRMEYVSFLP-UKRRQHHQSA-N 1 0 281.421 2.389 10 0 CEAERO COc1ccccc1Cc1noc([C@H]2CC[C@@H]([NH3+])C2)n1 ZINC000097067979 185521182 /nfs/dbraw/zinc/52/11/82/185521182.db2.gz RFWSKJZJIKSGRV-NWDGAFQWSA-N 1 0 273.336 2.264 10 0 CEAERO CCN[C@@](C)(C[C@@H](C)[N@H+](CC)CC(C)C)C(=O)OC ZINC000084305244 178851773 /nfs/dbraw/zinc/85/17/73/178851773.db2.gz SBEVQUXDFNWZLG-HIFRSBDPSA-N 1 0 272.433 2.284 10 0 CEAERO CCC1(C)CC[NH+]([C@@H](C)C[C@](C)(N)C(=O)OC)CC1 ZINC000084356101 178867838 /nfs/dbraw/zinc/86/78/38/178867838.db2.gz HAKKYFKPNAUNCA-WFASDCNBSA-N 1 0 270.417 2.168 10 0 CEAERO CC(C)Oc1ccc([C@@H]([NH3+])C[C@H]2CCS(=O)(=O)C2)cc1 ZINC000097130243 185541999 /nfs/dbraw/zinc/54/19/99/185541999.db2.gz DEFBCVULQCBGQJ-DOMZBBRYSA-N 1 0 297.420 2.298 10 0 CEAERO O=S1(=O)C[C@@H](C2(C[NH2+]C3CC3)CC2)c2ccccc21 ZINC000097147838 185549785 /nfs/dbraw/zinc/54/97/85/185549785.db2.gz UUNLPQHXWLTJGD-CYBMUJFWSA-N 1 0 277.389 2.090 10 0 CEAERO CCCCCO[C@H](C)C[C@@](C)([NH2+]CCC)C(N)=O ZINC000084396094 178881429 /nfs/dbraw/zinc/88/14/29/178881429.db2.gz PIMUEIWCYWCKNV-TZMCWYRMSA-N 1 0 258.406 2.215 10 0 CEAERO CC[NH2+][C@H](c1ccnn1CC)c1cc(C)nn1CC ZINC000097186815 185557678 /nfs/dbraw/zinc/55/76/78/185557678.db2.gz YJTQLBDUWGTDJQ-CQSZACIVSA-N 1 0 261.373 2.127 10 0 CEAERO C[NH2+][C@H](CCc1cccs1)C[C@@H]1CCS(=O)(=O)C1 ZINC000097192910 185559090 /nfs/dbraw/zinc/55/90/90/185559090.db2.gz PORHXALRMLWEKK-NWDGAFQWSA-N 1 0 287.450 2.094 10 0 CEAERO Cc1nc(-c2ccccc2F)nc(N2CC[NH2+]CC2)c1C ZINC000058047315 362606117 /nfs/dbraw/zinc/60/61/17/362606117.db2.gz JMGATFFKLXRUEN-UHFFFAOYSA-N 1 0 286.354 2.309 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH3+])c1ccnc2ccccc21 ZINC000097217988 185566694 /nfs/dbraw/zinc/56/66/94/185566694.db2.gz DHLOPUVGZZDVKZ-AWEZNQCLSA-N 1 0 292.404 2.450 10 0 CEAERO COc1ccc(CN(C)[C@H]2CCC[NH2+]C2)cc1F ZINC000084590561 178901390 /nfs/dbraw/zinc/90/13/90/178901390.db2.gz HZKJFPPFHYUTDY-LBPRGKRZSA-N 1 0 252.333 2.018 10 0 CEAERO CN(CC[N@H+](C)CCO)Cc1cccc(Cl)c1Cl ZINC000623091896 349936099 /nfs/dbraw/zinc/93/60/99/349936099.db2.gz ZACMKVHWQFROIE-UHFFFAOYSA-N 1 0 291.222 2.349 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@@H](C)c2ccccc2OC)C1 ZINC000149237379 539486292 /nfs/dbraw/zinc/48/62/92/539486292.db2.gz BDJJHWHYZUXXEF-KBPBESRZSA-N 1 0 278.396 2.067 10 0 CEAERO Cc1cc(C[C@@H]([NH3+])COc2cccc(Cl)c2)n(C)n1 ZINC000097273077 185575706 /nfs/dbraw/zinc/57/57/06/185575706.db2.gz LOMUZGYSIDGEMJ-GFCCVEGCSA-N 1 0 279.771 2.331 10 0 CEAERO CC[NH2+][C@@H](COC(C)(C)C)Cc1ncnn1CC(C)C ZINC000097278233 185577534 /nfs/dbraw/zinc/57/75/34/185577534.db2.gz NEZTWLPXXYZASI-CYBMUJFWSA-N 1 0 282.432 2.270 10 0 CEAERO C[NH2+][C@H](Cc1nc2ccccc2n1C)c1cnc(C)cn1 ZINC000097303348 185581572 /nfs/dbraw/zinc/58/15/72/185581572.db2.gz PTFNEBLVMXRHAC-CYBMUJFWSA-N 1 0 281.363 2.175 10 0 CEAERO C[NH2+][C@@](C)(CCCO[C@@H]1CC[C@@H](C)[C@@H](C)C1)C(N)=O ZINC000085021965 178942774 /nfs/dbraw/zinc/94/27/74/178942774.db2.gz URQVFQCMCXQQHT-COMQUAJESA-N 1 0 270.417 2.071 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccco1)C[C@H]1CCS(=O)(=O)C1 ZINC000097385320 185595962 /nfs/dbraw/zinc/59/59/62/185595962.db2.gz ZDPXINRQEMBGAP-CHWSQXEVSA-N 1 0 285.409 2.015 10 0 CEAERO CC[C@@H]([NH3+])[C@H](CC(=O)OC)c1ccc(OC)c(C)c1 ZINC000097432139 185602614 /nfs/dbraw/zinc/60/26/14/185602614.db2.gz KINPLGPMYQCZJR-CHWSQXEVSA-N 1 0 265.353 2.388 10 0 CEAERO CC[NH2+][C@@H](COC(C)C)Cc1c(C)nn(C)c1Cl ZINC000097414970 185599171 /nfs/dbraw/zinc/59/91/71/185599171.db2.gz NUWLJQRPKWVRCW-LLVKDONJSA-N 1 0 273.808 2.328 10 0 CEAERO CC[NH2+][C@@H](Cc1c(C)nn(C)c1C)[C@@H](C)CCOC ZINC000097424903 185601593 /nfs/dbraw/zinc/60/15/93/185601593.db2.gz OARNUVMDMPTPPN-NHYWBVRUSA-N 1 0 267.417 2.230 10 0 CEAERO COC(=O)C[C@@H](c1ccc(OC(C)C)cc1)[C@H](C)[NH3+] ZINC000097430811 185601769 /nfs/dbraw/zinc/60/17/69/185601769.db2.gz WTEOZVFSYBOZRO-SMDDNHRTSA-N 1 0 265.353 2.468 10 0 CEAERO C[NH2+]C[C@](C)(O)Cc1ccc(F)cc1Br ZINC000085075694 178947590 /nfs/dbraw/zinc/94/75/90/178947590.db2.gz UGOUJYGEGHIEMQ-LLVKDONJSA-N 1 0 276.149 2.101 10 0 CEAERO CO[C@]1(C[NH3+])CCc2cc(Br)ccc2C1 ZINC000085099834 178948486 /nfs/dbraw/zinc/94/84/86/178948486.db2.gz ABOKNAHWNBFALY-GFCCVEGCSA-N 1 0 270.170 2.282 10 0 CEAERO C[C@@H]1CCN(C(=O)C2CCC(C[NH3+])CC2)C[C@@H]1C ZINC000097467587 185611452 /nfs/dbraw/zinc/61/14/52/185611452.db2.gz BVUWKVXQOZVGJF-KBHBFKLGSA-N 1 0 252.402 2.256 10 0 CEAERO [NH3+]CC1CCC(C(=O)Nc2cnccc2Cl)CC1 ZINC000097467286 185612163 /nfs/dbraw/zinc/61/21/63/185612163.db2.gz QVLHCSCEVGXRGX-UHFFFAOYSA-N 1 0 267.760 2.439 10 0 CEAERO CC[C@@H](C)n1ccc(CN(CCC(N)=[NH2+])C2CC2)n1 ZINC000085179741 178963400 /nfs/dbraw/zinc/96/34/00/178963400.db2.gz GJZWYZPNCPCCRF-LLVKDONJSA-N 1 0 263.389 2.145 10 0 CEAERO C[NH2+]C[C@H]1CCCN1Cc1ccn(C2CCCC2)n1 ZINC000085179846 178963563 /nfs/dbraw/zinc/96/35/63/178963563.db2.gz CGMPDDOCMQYQPY-OAHLLOKOSA-N 1 0 262.401 2.182 10 0 CEAERO C[C@@H](CC(N)=[NH2+])N(C)Cc1ccn(C2CCCC2)n1 ZINC000085179743 178963754 /nfs/dbraw/zinc/96/37/54/178963754.db2.gz IFJUDYANGANVIV-NSHDSACASA-N 1 0 263.389 2.145 10 0 CEAERO CCC[NH2+][C@H](CO)CN(CC)c1ccc(F)cc1 ZINC000085214440 178978837 /nfs/dbraw/zinc/97/88/37/178978837.db2.gz AVFPHWWSEHQPRV-ZDUSSCGKSA-N 1 0 254.349 2.013 10 0 CEAERO CC[NH2+]C[C@@H]1CCCN(c2ncnc3c2CCCC3)C1 ZINC000094872861 136514955 /nfs/dbraw/zinc/51/49/55/136514955.db2.gz JIIVGTTZYUWUMU-ZDUSSCGKSA-N 1 0 274.412 2.181 10 0 CEAERO CCN(C(=O)CSC[C@H](C)C[NH3+])C1=CCCC1 ZINC000097546761 185625683 /nfs/dbraw/zinc/62/56/83/185625683.db2.gz SHYIHPRVWLJURU-LLVKDONJSA-N 1 0 256.415 2.231 10 0 CEAERO CC[NH2+][C@@](CO)(CN(C)[C@@H](C)CC(C)C)C1CC1 ZINC000085243609 178987420 /nfs/dbraw/zinc/98/74/20/178987420.db2.gz CUYYLACIERPOAY-DZGCQCFKSA-N 1 0 256.434 2.103 10 0 CEAERO CC(C)([C@H](Cc1cc(F)ccc1F)NN)[NH+]1CCCC1 ZINC000097581183 185629925 /nfs/dbraw/zinc/62/99/25/185629925.db2.gz QSBNLWODBGBNTN-AWEZNQCLSA-N 1 0 283.366 2.214 10 0 CEAERO CC[C@@](C)([C@H](Cc1cc(Cl)ccc1OC)NN)[NH+](C)C ZINC000097583111 185631165 /nfs/dbraw/zinc/63/11/65/185631165.db2.gz QLAQGQXAYQBYAR-GJZGRUSLSA-N 1 0 299.846 2.453 10 0 CEAERO C[NH+](C)C1([C@H](CCC[C@H]2CCCO2)NN)CCCCC1 ZINC000097589375 185633826 /nfs/dbraw/zinc/63/38/26/185633826.db2.gz NWFHCOWCVWPKTG-GJZGRUSLSA-N 1 0 283.460 2.432 10 0 CEAERO CC[NH+](CC)C1([C@@H](CC2CCOCC2)NN)CCCC1 ZINC000097587923 185633888 /nfs/dbraw/zinc/63/38/88/185633888.db2.gz ULAIKYVRNZLWDJ-OAHLLOKOSA-N 1 0 283.460 2.290 10 0 CEAERO Cc1cccc(OC[C@](CO)([NH2+]C2CC2)C2CC2)c1 ZINC000085284933 179002541 /nfs/dbraw/zinc/00/25/41/179002541.db2.gz XCKSELQAYNECMR-INIZCTEOSA-N 1 0 261.365 2.267 10 0 CEAERO C[NH2+][C@](C)(CO)COc1ccccc1C(F)(F)F ZINC000085282952 179000848 /nfs/dbraw/zinc/00/08/48/179000848.db2.gz AYIPMQKEKFMUIY-LLVKDONJSA-N 1 0 263.259 2.055 10 0 CEAERO CC[NH2+][C@@](CO)(COc1c(C)cccc1C)C1CC1 ZINC000085283175 179001046 /nfs/dbraw/zinc/00/10/46/179001046.db2.gz UPDGISQSVROKNL-INIZCTEOSA-N 1 0 263.381 2.433 10 0 CEAERO C[NH2+][C@](C)(CO)C[C@H](C)Oc1ccc(C)cc1C ZINC000085283437 179001452 /nfs/dbraw/zinc/00/14/52/179001452.db2.gz VRGIGLSUCHDSNV-ZFWWWQNUSA-N 1 0 251.370 2.431 10 0 CEAERO CC[NH2+][C@](C)(CO)C[C@H](C)Oc1cccc(OC)c1 ZINC000085284005 179002252 /nfs/dbraw/zinc/00/22/52/179002252.db2.gz CGOMQPIHLHYMRQ-WFASDCNBSA-N 1 0 267.369 2.213 10 0 CEAERO C[NH+](C)CC[C@@H](NN)c1cccc(OC(F)(F)F)c1 ZINC000097618458 185640028 /nfs/dbraw/zinc/64/00/28/185640028.db2.gz VLZTUAURMCALNI-LLVKDONJSA-N 1 0 277.290 2.041 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCCOc1cccc(F)c1 ZINC000085285511 179003410 /nfs/dbraw/zinc/00/34/10/179003410.db2.gz WSHKILUOJYSICL-CQSZACIVSA-N 1 0 255.333 2.345 10 0 CEAERO COc1ccc(OCC[C@@](C)(CO)[NH2+]C(C)C)cc1 ZINC000085285660 179003445 /nfs/dbraw/zinc/00/34/45/179003445.db2.gz OUWHWWWRGMORKC-HNNXBMFYSA-N 1 0 267.369 2.213 10 0 CEAERO C[NH2+][C@](C)(CO)CCOc1cc(C)cc(C)c1C ZINC000085286096 179003810 /nfs/dbraw/zinc/00/38/10/179003810.db2.gz ZTCZVWHFNCPLGK-HNNXBMFYSA-N 1 0 251.370 2.351 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)COc1ccc(F)c(F)c1 ZINC000085286758 179004528 /nfs/dbraw/zinc/00/45/28/179004528.db2.gz BCTGZYVZMAEHHV-CYBMUJFWSA-N 1 0 259.296 2.093 10 0 CEAERO Cc1ccnc(SC[C@@](CO)([NH2+]C(C)C)C2CC2)n1 ZINC000085287824 179004754 /nfs/dbraw/zinc/00/47/54/179004754.db2.gz ZDGVZFPJYZTJIW-CQSZACIVSA-N 1 0 281.425 2.016 10 0 CEAERO Cc1cc(C)nc(SCC[C@](C)(CO)[NH2+]C(C)C)n1 ZINC000085287990 179005514 /nfs/dbraw/zinc/00/55/14/179005514.db2.gz BWFHIBDRVZHWEO-CQSZACIVSA-N 1 0 283.441 2.325 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)C[C@@H](C)Sc1cnccn1 ZINC000085289627 179006236 /nfs/dbraw/zinc/00/62/36/179006236.db2.gz UJZMOOHEIADWNM-YPMHNXCESA-N 1 0 269.414 2.096 10 0 CEAERO C[NH2+][C@@](CO)(CSCc1ccccc1)C1CC1 ZINC000085290525 179006574 /nfs/dbraw/zinc/00/65/74/179006574.db2.gz CYUGYSPILOATBS-AWEZNQCLSA-N 1 0 251.395 2.280 10 0 CEAERO Cc1ccc(SC[C@@]([NH3+])(CO)C2CC2)c(C)c1 ZINC000085291431 179007163 /nfs/dbraw/zinc/00/71/63/179007163.db2.gz ANOMZFBEBDYYBY-AWEZNQCLSA-N 1 0 251.395 2.495 10 0 CEAERO CC[NH2+][C@H](CO)CCSc1nc2ccccc2[nH]1 ZINC000085291666 179007365 /nfs/dbraw/zinc/00/73/65/179007365.db2.gz LIYXZLDQWVXFPL-JTQLQIEISA-N 1 0 265.382 2.016 10 0 CEAERO C[C@]([NH3+])(CO)CCSc1ccc2c(c1)CCC2 ZINC000085292938 179008227 /nfs/dbraw/zinc/00/82/27/179008227.db2.gz FGMBDPKIAKHEKH-CQSZACIVSA-N 1 0 251.395 2.367 10 0 CEAERO CC[NH2+][C@](C)(CO)C[C@@H](C)Sc1nnc(C)s1 ZINC000085297123 179008433 /nfs/dbraw/zinc/00/84/33/179008433.db2.gz RLIZZPJVFLGVOR-KCJUWKMLSA-N 1 0 275.443 2.078 10 0 CEAERO CC[NH2+][C@](C)(CO)C[C@H](C)Sc1ncc(C)cn1 ZINC000085297821 179009064 /nfs/dbraw/zinc/00/90/64/179009064.db2.gz NEPDZLPTKSJZLE-AAEUAGOBSA-N 1 0 269.414 2.016 10 0 CEAERO CCN(C[C@@](C)(O)C[NH3+])c1cccc2ccccc21 ZINC000085303894 179011175 /nfs/dbraw/zinc/01/11/75/179011175.db2.gz MZPVOCIDKSTGLO-INIZCTEOSA-N 1 0 258.365 2.376 10 0 CEAERO CCN(CCC[C@](C)(O)C[NH3+])c1ccc(C)cc1 ZINC000085303526 179011396 /nfs/dbraw/zinc/01/13/96/179011396.db2.gz SXTQPYZUYHQXHV-HNNXBMFYSA-N 1 0 250.386 2.311 10 0 CEAERO COCc1cccc(OCCCC[C@@](C)(O)C[NH3+])c1 ZINC000085305154 179011917 /nfs/dbraw/zinc/01/19/17/179011917.db2.gz HRAGEIGFMGYGNV-OAHLLOKOSA-N 1 0 267.369 2.092 10 0 CEAERO C[C@@](O)(C[NH3+])CCCn1ccnc1-c1ccccc1 ZINC000085304777 179011935 /nfs/dbraw/zinc/01/19/35/179011935.db2.gz KALYPJGMQHJUHI-HNNXBMFYSA-N 1 0 259.353 2.040 10 0 CEAERO C[C@@H](C[C@](C)(O)C[NH3+])n1ccnc1-c1ccccc1 ZINC000085304756 179011985 /nfs/dbraw/zinc/01/19/85/179011985.db2.gz GBNUOAOQBLTAQS-WFASDCNBSA-N 1 0 259.353 2.211 10 0 CEAERO C[C@H](C[C@@](C)(O)C[NH3+])OCCCc1ccccc1 ZINC000085305263 179012225 /nfs/dbraw/zinc/01/22/25/179012225.db2.gz PDODOFLXQVSBFX-UKRRQHHQSA-N 1 0 251.370 2.124 10 0 CEAERO CCCOc1ccc(OCCC[C@](C)(O)C[NH3+])cc1 ZINC000085307387 179012411 /nfs/dbraw/zinc/01/24/11/179012411.db2.gz RUAZQSUVNVDBQD-HNNXBMFYSA-N 1 0 267.369 2.344 10 0 CEAERO Cc1cc(C)c(C)c(OCCC[C@@](C)(O)C[NH3+])c1 ZINC000085307353 179012500 /nfs/dbraw/zinc/01/25/00/179012500.db2.gz QAYBGJZZPXGYDJ-OAHLLOKOSA-N 1 0 251.370 2.481 10 0 CEAERO C[C@H](C[NH3+])SCC(=O)Nc1ccc(Cl)cc1 ZINC000085307538 179012566 /nfs/dbraw/zinc/01/25/66/179012566.db2.gz MDHJZTVIXQFWGX-MRVPVSSYSA-N 1 0 258.774 2.359 10 0 CEAERO [NH3+]C[C@](O)(CO[C@@H]1CCCc2ccccc21)C1CC1 ZINC000085306106 179012863 /nfs/dbraw/zinc/01/28/63/179012863.db2.gz MNLJHGWTCJFKIX-CVEARBPZSA-N 1 0 261.365 2.180 10 0 CEAERO Cc1cccc(CSC[C@@](O)(C[NH3+])C2CC2)c1 ZINC000085308068 179013122 /nfs/dbraw/zinc/01/31/22/179013122.db2.gz NRYUKDRDBUGJGL-AWEZNQCLSA-N 1 0 251.395 2.328 10 0 CEAERO C[C@@H]([NH3+])CSCC(=O)N[C@@H](C)c1cccs1 ZINC000085313979 179014041 /nfs/dbraw/zinc/01/40/41/179014041.db2.gz VOGSFQXTTKJLDI-BDAKNGLRSA-N 1 0 258.412 2.006 10 0 CEAERO CCC[NH2+][C@@H](CCO)c1cc(OC)ccc1OC ZINC000085320629 179014275 /nfs/dbraw/zinc/01/42/75/179014275.db2.gz GDDNIPXQALQIPA-ZDUSSCGKSA-N 1 0 253.342 2.127 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)NCCc1cccc(F)c1 ZINC000085358663 179031129 /nfs/dbraw/zinc/03/11/29/179031129.db2.gz LOFFGGYWRFQJCI-KGLIPLIRSA-N 1 0 264.344 2.002 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)NCCCc1ccccc1 ZINC000085365247 179035959 /nfs/dbraw/zinc/03/59/59/179035959.db2.gz WCYKKUOHYQIRBR-GJZGRUSLSA-N 1 0 260.381 2.253 10 0 CEAERO COC(=O)c1ccc(F)c(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000085360974 179033128 /nfs/dbraw/zinc/03/31/28/179033128.db2.gz JIHVOILYRSCIQW-ZYHUDNBSSA-N 1 0 294.326 2.068 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000085362911 179034215 /nfs/dbraw/zinc/03/42/15/179034215.db2.gz UKFIHYPNWPWRPW-LEPBTCBTSA-N 1 0 262.397 2.055 10 0 CEAERO COC(=O)c1ccc(Cl)c(NC(=O)[C@H]2CCC[C@H]2[NH3+])c1 ZINC000085362466 179034254 /nfs/dbraw/zinc/03/42/54/179034254.db2.gz NDBUNEHWPYCQLL-GXSJLCMTSA-N 1 0 296.754 2.193 10 0 CEAERO CN(C)c1ccccc1NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085363457 179034721 /nfs/dbraw/zinc/03/47/21/179034721.db2.gz HEAHQDNWEWPAMD-RYUDHWBXSA-N 1 0 261.369 2.209 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000085364601 179035883 /nfs/dbraw/zinc/03/58/83/179035883.db2.gz SMSMHZXFYBVUMD-HUUCEWRRSA-N 1 0 273.380 2.353 10 0 CEAERO COc1ccc(CN(C)C(=O)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000085366429 179036897 /nfs/dbraw/zinc/03/68/97/179036897.db2.gz PZTCIEFWYVTVJL-HUUCEWRRSA-N 1 0 276.380 2.171 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)N(Cc1ccccc1F)C1CC1 ZINC000085367171 179037497 /nfs/dbraw/zinc/03/74/97/179037497.db2.gz UPFZQXXFKHFVMN-ZFWWWQNUSA-N 1 0 276.355 2.444 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)N(Cc1cccnc1)C1CC1 ZINC000085367231 179037672 /nfs/dbraw/zinc/03/76/72/179037672.db2.gz DLLABNTYUHQANI-GJZGRUSLSA-N 1 0 273.380 2.090 10 0 CEAERO CN(Cc1nc2ccccc2s1)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085367222 179037758 /nfs/dbraw/zinc/03/77/58/179037758.db2.gz HOTMIMGUZYQJJV-QWRGUYRKSA-N 1 0 289.404 2.382 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)N(Cc1ccco1)C1CC1 ZINC000085368002 179037827 /nfs/dbraw/zinc/03/78/27/179037827.db2.gz XLQBKFWHVCXZRM-KGLIPLIRSA-N 1 0 262.353 2.288 10 0 CEAERO Cc1cc([C@H]2CCCN2C(=O)[C@H]2CCCC[C@@H]2[NH3+])on1 ZINC000085369079 179038619 /nfs/dbraw/zinc/03/86/19/179038619.db2.gz SDMGTFYWUJXUEZ-RWMBFGLXSA-N 1 0 277.368 2.164 10 0 CEAERO C[C@@H](c1ccncc1)N(C)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085369302 179039077 /nfs/dbraw/zinc/03/90/77/179039077.db2.gz LWNXQOVDEPWAIY-UBHSHLNASA-N 1 0 261.369 2.119 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)NCCSc1ccccc1 ZINC000085369585 179039358 /nfs/dbraw/zinc/03/93/58/179039358.db2.gz YUFBRGMBCHQSQC-STQMWFEESA-N 1 0 264.394 2.022 10 0 CEAERO CCOC(=O)c1ccccc1NC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085371211 179041091 /nfs/dbraw/zinc/04/10/91/179041091.db2.gz SWEDCBJFGQJFAY-WCQYABFASA-N 1 0 290.363 2.319 10 0 CEAERO CCOC(=O)c1ccccc1NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085371206 179041137 /nfs/dbraw/zinc/04/11/37/179041137.db2.gz SWEDCBJFGQJFAY-AAEUAGOBSA-N 1 0 290.363 2.319 10 0 CEAERO C[C@H](CCc1ccco1)NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085370889 179041403 /nfs/dbraw/zinc/04/14/03/179041403.db2.gz JMVSYIFWPHJBGG-BNOWGMLFSA-N 1 0 264.369 2.234 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)NCCc1ccc(Cl)cc1 ZINC000085371724 179041764 /nfs/dbraw/zinc/04/17/64/179041764.db2.gz FLFDPRPHIKLACP-OLZOCXBDSA-N 1 0 266.772 2.126 10 0 CEAERO CCc1nc(NC(=O)[C@H]2CCC[C@H]2[NH3+])sc1C ZINC000085372499 179042263 /nfs/dbraw/zinc/04/22/63/179042263.db2.gz GIWQCYNLIPQQAU-DTWKUNHWSA-N 1 0 253.371 2.080 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)NCc1ccccc1Br ZINC000085372360 179042468 /nfs/dbraw/zinc/04/24/68/179042468.db2.gz NKFJJVHTCFHPTL-PWSUYJOCSA-N 1 0 297.196 2.193 10 0 CEAERO COc1ccc(N(C)C(=O)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000085373452 179042792 /nfs/dbraw/zinc/04/27/92/179042792.db2.gz ZEXKBXNYLLXGRA-UONOGXRCSA-N 1 0 262.353 2.176 10 0 CEAERO CC[C@H](NC(=O)[C@H]1CCCC[C@@H]1[NH3+])c1nccs1 ZINC000085376274 179044750 /nfs/dbraw/zinc/04/47/50/179044750.db2.gz BKDWGPZOFJWKMZ-DCAQKATOSA-N 1 0 267.398 2.228 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+]C[C@@H](C(C)C)N(C)C)C1(C)C ZINC000085380407 179045769 /nfs/dbraw/zinc/04/57/69/179045769.db2.gz VCZOOTQPBAUGQQ-MJBXVCDLSA-N 1 0 256.434 2.366 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]CCC(=O)N(CC)CC)C1(C)C ZINC000085385316 179046137 /nfs/dbraw/zinc/04/61/37/179046137.db2.gz JBZSDIBKDJCHTK-QWHCGFSZSA-N 1 0 270.417 2.038 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)C3CC3)CC2)C1(C)C ZINC000085384792 179046241 /nfs/dbraw/zinc/04/62/41/179046241.db2.gz DZPHSTPXFZBAHH-HUUCEWRRSA-N 1 0 294.439 2.181 10 0 CEAERO COc1ccccc1C[C@H](C)NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085365944 179036396 /nfs/dbraw/zinc/03/63/96/179036396.db2.gz IPJJVSRJAIZQDV-CFVMTHIKSA-N 1 0 290.407 2.260 10 0 CEAERO CN(C(=O)[C@@H]1CC[NH2+]C1)[C@@H]1CCCc2ccccc21 ZINC000062114557 362708012 /nfs/dbraw/zinc/70/80/12/362708012.db2.gz UWKMDCZZPFBICQ-UKRRQHHQSA-N 1 0 258.365 2.132 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1cccc2ncccc21 ZINC000061883735 362695154 /nfs/dbraw/zinc/69/51/54/362695154.db2.gz YDLDQZVNIIDGBR-RISCZKNCSA-N 1 0 269.348 2.092 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C3(C)C)cc1 ZINC000085405211 179054289 /nfs/dbraw/zinc/05/42/89/179054289.db2.gz UIUYKKGZRCIQLG-TVYUQYBPSA-N 1 0 272.348 2.112 10 0 CEAERO CC1CCC(C[NH3+])(N(C)S(=O)(=O)C2CCCC2)CC1 ZINC000097834628 185672523 /nfs/dbraw/zinc/67/25/23/185672523.db2.gz MGSWQLCJGSBXTM-UHFFFAOYSA-N 1 0 288.457 2.098 10 0 CEAERO Cc1ccc(F)cc1C[C@@H]([NH3+])C(C)(C)N1CCOCC1 ZINC000097853690 185673432 /nfs/dbraw/zinc/67/34/32/185673432.db2.gz SMFMCOORKBYTSY-OAHLLOKOSA-N 1 0 280.387 2.115 10 0 CEAERO C[NH2+][C@@H](Cc1cc(F)ccc1C)[C@@H]1CSCCO1 ZINC000097853929 185673456 /nfs/dbraw/zinc/67/34/56/185673456.db2.gz HVIAOAMYSWTXLQ-KBPBESRZSA-N 1 0 269.385 2.397 10 0 CEAERO CC(C)C[C@@H]1CN(CCCOCC(F)(F)F)CC[NH2+]1 ZINC000085435079 179061029 /nfs/dbraw/zinc/06/10/29/179061029.db2.gz XNENEOVGYKANQL-GFCCVEGCSA-N 1 0 282.350 2.275 10 0 CEAERO CCC[C@H]1CN(Cc2ccn(C(C)C)n2)CC[NH2+]1 ZINC000085434690 179061427 /nfs/dbraw/zinc/06/14/27/179061427.db2.gz ZGETYRCCRQEGQC-ZDUSSCGKSA-N 1 0 250.390 2.038 10 0 CEAERO CC[C@]1(C)CN(Cc2ccc(OC)c(F)c2)CC[NH2+]1 ZINC000085435221 179061814 /nfs/dbraw/zinc/06/18/14/179061814.db2.gz FEHNQTIWQJMQRC-OAHLLOKOSA-N 1 0 266.360 2.408 10 0 CEAERO CC[C@@]1(C)CN(Cc2ccn(C(C)C)n2)CC[NH2+]1 ZINC000085435202 179061877 /nfs/dbraw/zinc/06/18/77/179061877.db2.gz ZEDJQYYHVQXMLA-AWEZNQCLSA-N 1 0 250.390 2.038 10 0 CEAERO CCC1(CC)CN(Cc2ccn(C(C)C)n2)CC[NH2+]1 ZINC000085435285 179062157 /nfs/dbraw/zinc/06/21/57/179062157.db2.gz NCCULVVZVKLRGP-UHFFFAOYSA-N 1 0 264.417 2.428 10 0 CEAERO CC[C@]1(C)CN(CCCOCC(F)(F)F)CC[NH2+]1 ZINC000085435211 179062200 /nfs/dbraw/zinc/06/22/00/179062200.db2.gz XWPUREFZHBRQSM-LLVKDONJSA-N 1 0 268.323 2.029 10 0 CEAERO CC[C@@H](C)n1ccc(CN2CC[NH2+][C@@](C)(CC)C2)n1 ZINC000085435199 179062356 /nfs/dbraw/zinc/06/23/56/179062356.db2.gz CBJWUTKVOYLGQM-HIFRSBDPSA-N 1 0 264.417 2.428 10 0 CEAERO C[C@H]1C[N@H+](C[C@@H]2CCCO2)C2(CCCCC2)CN1 ZINC000085454483 179068264 /nfs/dbraw/zinc/06/82/64/179068264.db2.gz JAOHWFMIWOBUBQ-KBPBESRZSA-N 1 0 252.402 2.162 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@@H]1Nc1ncncc1Br ZINC000085466685 179071627 /nfs/dbraw/zinc/07/16/27/179071627.db2.gz ZOXJFFHKWZESTM-ZJUUUORDSA-N 1 0 285.189 2.311 10 0 CEAERO CCn1cc(CN2C[C@H](C(C)C)[NH2+]CC2(C)C)cn1 ZINC000085467590 179072334 /nfs/dbraw/zinc/07/23/34/179072334.db2.gz IDZADUMCLOHYPD-CQSZACIVSA-N 1 0 264.417 2.111 10 0 CEAERO CC[C@@H]1C[NH2+]C(C)(C)CN1Cc1cccc(OC)n1 ZINC000085469266 179074640 /nfs/dbraw/zinc/07/46/40/179074640.db2.gz UMHRCFIIMWPRNH-CYBMUJFWSA-N 1 0 263.385 2.053 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C(C)C)CN1Cc1cnn(CC)c1 ZINC000085450568 179065085 /nfs/dbraw/zinc/06/50/85/179065085.db2.gz HYXLDCKFDBXWFJ-GJZGRUSLSA-N 1 0 264.417 2.111 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1C[C@@H]1CCCCO1 ZINC000085450552 179065470 /nfs/dbraw/zinc/06/54/70/179065470.db2.gz JLACBRKFFHTBQK-QLFBSQMISA-N 1 0 254.418 2.264 10 0 CEAERO COc1ccc(CN2CC[NH2+]C[C@H]2C2CC2)cc1F ZINC000085451505 179065986 /nfs/dbraw/zinc/06/59/86/179065986.db2.gz ABZUMVDOCHBXAA-AWEZNQCLSA-N 1 0 264.344 2.018 10 0 CEAERO C[C@@]1(C2CC2)C[NH2+]CCN1CCc1ccsc1 ZINC000085452535 179066261 /nfs/dbraw/zinc/06/62/61/179066261.db2.gz DWSGLALDLAKZJF-AWEZNQCLSA-N 1 0 250.411 2.365 10 0 CEAERO CCC1(CC)CN[C@@H](C)C[N@@H+]1C[C@@H]1CCCCO1 ZINC000085454319 179067172 /nfs/dbraw/zinc/06/71/72/179067172.db2.gz LBXHNJNNZGKNFW-KBPBESRZSA-N 1 0 254.418 2.408 10 0 CEAERO CC(C)C[C@@H]1C[NH2+][C@@H](C)CN1CCOCC(F)(F)F ZINC000085454825 179067869 /nfs/dbraw/zinc/06/78/69/179067869.db2.gz LBGIEZBPVCYLJU-NWDGAFQWSA-N 1 0 282.350 2.274 10 0 CEAERO CC[C@H]1CN(Cc2cnn(CC)c2)[C@H](C(C)C)C[NH2+]1 ZINC000085472939 179077781 /nfs/dbraw/zinc/07/77/81/179077781.db2.gz MYLHYFFKLIPIFU-GJZGRUSLSA-N 1 0 264.417 2.111 10 0 CEAERO CC[C@H]1CN(CCOC(C)C)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085475020 179078545 /nfs/dbraw/zinc/07/85/45/179078545.db2.gz PDKJBYFMVNTMSR-LSDHHAIUSA-N 1 0 254.418 2.264 10 0 CEAERO CCOCC[N@@H+]1C[C@@H](CC)NCC12CCCCC2 ZINC000085474911 179079177 /nfs/dbraw/zinc/07/91/77/179079177.db2.gz KPVSFLYAFDYMLQ-CQSZACIVSA-N 1 0 254.418 2.410 10 0 CEAERO CC[C@@H]1C[NH2+][C@@](C)(CC)CN1CCn1ccnc1C ZINC000085494598 179081755 /nfs/dbraw/zinc/08/17/55/179081755.db2.gz QGXFETNARZRIGE-CABCVRRESA-N 1 0 264.417 2.044 10 0 CEAERO CC[C@H](C)[C@@H]1C[NH2+]C(C)(C)CN1Cc1cnn(C)c1 ZINC000085470370 179075051 /nfs/dbraw/zinc/07/50/51/179075051.db2.gz ICVIFIMAJGHODB-JSGCOSHPSA-N 1 0 264.417 2.019 10 0 CEAERO CC(C)[C@@H]1CNC(C)(C)C[N@@H+]1C[C@@H]1CCCCO1 ZINC000085469886 179075741 /nfs/dbraw/zinc/07/57/41/179075741.db2.gz UTFPUVREVCYPKP-KBPBESRZSA-N 1 0 254.418 2.264 10 0 CEAERO CC[C@@]1(C)C[NH2+]C(C)(C)CN1CCn1ccnc1C ZINC000085471204 179076660 /nfs/dbraw/zinc/07/66/60/179076660.db2.gz DMMVUYYRNVBJJO-HNNXBMFYSA-N 1 0 264.417 2.044 10 0 CEAERO CC[C@H]1C[NH2+][C@@](C)(C2CC2)CN1C[C@@H]1CCCCO1 ZINC000085510541 179085328 /nfs/dbraw/zinc/08/53/28/179085328.db2.gz CGOZZXRVKLYPFF-HRCADAONSA-N 1 0 266.429 2.408 10 0 CEAERO C[C@@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1cn2ccccc2n1 ZINC000085509639 179085695 /nfs/dbraw/zinc/08/56/95/179085695.db2.gz VWBQNEJCRONINN-DYVFJYSZSA-N 1 0 284.407 2.297 10 0 CEAERO CC1(C)CN[C@@H](c2ccccc2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085507679 179085790 /nfs/dbraw/zinc/08/57/90/179085790.db2.gz SDCCDUNJNHXLBS-GOEBONIOSA-N 1 0 274.408 2.448 10 0 CEAERO CC1(C)C[NH2+][C@@](C)(C2CC2)CN1Cc1ccncc1 ZINC000085514754 179086327 /nfs/dbraw/zinc/08/63/27/179086327.db2.gz PFFSSBGOICNCGI-MRXNPFEDSA-N 1 0 259.397 2.434 10 0 CEAERO CC(C)C[C@H]1C[NH2+][C@@](C)(C2CC2)CN1CCn1cccn1 ZINC000085513229 179086343 /nfs/dbraw/zinc/08/63/43/179086343.db2.gz JVXWDQNCDIBUFM-DLBZAZTESA-N 1 0 290.455 2.372 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C2CC2)CN1CCOCC(F)(F)F ZINC000085522323 179088354 /nfs/dbraw/zinc/08/83/54/179088354.db2.gz YLACWNZCOFTMMT-VXGBXAGGSA-N 1 0 280.334 2.028 10 0 CEAERO COc1ccc(CN2C[C@H](C3CC3)[NH2+]C[C@@H]2C)cc1F ZINC000085522002 179088493 /nfs/dbraw/zinc/08/84/93/179088493.db2.gz ODCZJSNZGPNACH-XHDPSFHLSA-N 1 0 278.371 2.407 10 0 CEAERO CC[C@]1(C)CN(Cc2cccnc2)[C@H](C2CC2)C[NH2+]1 ZINC000085495988 179082476 /nfs/dbraw/zinc/08/24/76/179082476.db2.gz VPASMLSZWQNDMP-JKSUJKDBSA-N 1 0 259.397 2.434 10 0 CEAERO CC[C@]1(C)CN(Cc2ccncc2)[C@H](C2CC2)C[NH2+]1 ZINC000085495982 179082502 /nfs/dbraw/zinc/08/25/02/179082502.db2.gz QCNBLXIGPPPOBX-JKSUJKDBSA-N 1 0 259.397 2.434 10 0 CEAERO CC[C@@H](C)[C@@H]1CNC2(CCCC2)C[N@@H+]1CCOC ZINC000085498213 179083028 /nfs/dbraw/zinc/08/30/28/179083028.db2.gz SMPHGPFWPVZIGK-KGLIPLIRSA-N 1 0 254.418 2.266 10 0 CEAERO CCCCOCCN1CC2(CCCC2)[NH2+]C[C@H]1C ZINC000085497508 179083290 /nfs/dbraw/zinc/08/32/90/179083290.db2.gz HADPOSQZVJZHAD-CQSZACIVSA-N 1 0 254.418 2.410 10 0 CEAERO CC1(C)C[NH2+]C2(CCCC2)CN1C[C@@H]1CCCO1 ZINC000085498530 179083832 /nfs/dbraw/zinc/08/38/32/179083832.db2.gz WJTPRXPWUBWTKE-ZDUSSCGKSA-N 1 0 252.402 2.162 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](c2ccccc2)CN1[C@@H]1CCOC1 ZINC000085505349 179084178 /nfs/dbraw/zinc/08/41/78/179084178.db2.gz CZIFTJKVRIRLNV-OAGGEKHMSA-N 1 0 260.381 2.200 10 0 CEAERO COCCC[N@@H+]1C[C@H](c2ccccc2)NCC1(C)C ZINC000085507412 179084473 /nfs/dbraw/zinc/08/44/73/179084473.db2.gz YCMJZJKOTSMUFC-OAHLLOKOSA-N 1 0 262.397 2.448 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C2CC2)CN1Cc1cn2ccccc2n1 ZINC000085522951 179088954 /nfs/dbraw/zinc/08/89/54/179088954.db2.gz GVQXRBYPMOACTO-HOTGVXAUSA-N 1 0 284.407 2.297 10 0 CEAERO CC[C@@H](C)[C@H]1C[NH2+][C@H](C2CC2)CN1Cc1ncccn1 ZINC000085525060 179089308 /nfs/dbraw/zinc/08/93/08/179089308.db2.gz YXBJNDKVBGWKSC-VHDGCEQUSA-N 1 0 274.412 2.075 10 0 CEAERO CC(C)C[C@@H]1CN[C@@H](C2CC2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085525783 179089478 /nfs/dbraw/zinc/08/94/78/179089478.db2.gz BLLNQNXGRUXYRA-OWCLPIDISA-N 1 0 266.429 2.264 10 0 CEAERO CO[C@H]1CCC[C@H]([N@@H+]2C[C@H](C3CC3)NC[C@@H]2C2CC2)C1 ZINC000085526396 179089509 /nfs/dbraw/zinc/08/95/09/179089509.db2.gz WHDBDNFQKUYSAA-MWDXBVQZSA-N 1 0 278.440 2.406 10 0 CEAERO CC(C)(C)[C@H]1C[NH2+][C@H](C2CC2)CN1Cc1ncccn1 ZINC000085526763 179089783 /nfs/dbraw/zinc/08/97/83/179089783.db2.gz VYDYOYVVMAMLBC-UONOGXRCSA-N 1 0 274.412 2.075 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](C2CCCCC2)CN1Cc1cnn(C)c1 ZINC000085529784 179091796 /nfs/dbraw/zinc/09/17/96/179091796.db2.gz SBXUNYCJYXIWSD-CZUORRHYSA-N 1 0 276.428 2.163 10 0 CEAERO C[C@@H]1CN[C@@](C)(c2ccccc2)C[N@@H+]1CCn1cccn1 ZINC000085531770 179091807 /nfs/dbraw/zinc/09/18/07/179091807.db2.gz GEAJSURXEDIIKG-NVXWUHKLSA-N 1 0 284.407 2.092 10 0 CEAERO C[C@H]1C[NH2+][C@H](C2CCCCC2)CN1[C@@H]1CCOC1 ZINC000085529687 179091914 /nfs/dbraw/zinc/09/19/14/179091914.db2.gz NEYBGSFNXFRBHZ-CFVMTHIKSA-N 1 0 252.402 2.018 10 0 CEAERO Cc1cc(Br)ccc1O[C@H](C)C(N)=[NH2+] ZINC000063062082 362747766 /nfs/dbraw/zinc/74/77/66/362747766.db2.gz HUYBQQRSRUDFDD-SSDOTTSWSA-N 1 0 257.131 2.461 10 0 CEAERO C[C@@H]1CN(C(=O)CSCc2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000602593780 347092141 /nfs/dbraw/zinc/09/21/41/347092141.db2.gz NBAQFRMJVCXDTI-YPMHNXCESA-N 1 0 296.411 2.112 10 0 CEAERO COc1cccc(CN2C[C@@](C)(C3CC3)[NH2+]CC[C@@H]2C)n1 ZINC000085623715 179106530 /nfs/dbraw/zinc/10/65/30/179106530.db2.gz UQGYHICKJGNDLQ-GUYCJALGSA-N 1 0 289.423 2.443 10 0 CEAERO COc1ccc(CN2CCC[NH2+][C@H](C)C2)cc1F ZINC000085610283 179101439 /nfs/dbraw/zinc/10/14/39/179101439.db2.gz OJNQQZZXPSWPEY-LLVKDONJSA-N 1 0 252.333 2.018 10 0 CEAERO CC[C@H](C)n1ccc(CN2CCC[NH2+][C@@H](CC)C2)n1 ZINC000085614570 179103231 /nfs/dbraw/zinc/10/32/31/179103231.db2.gz VECJRWLBGKNNLD-KBPBESRZSA-N 1 0 264.417 2.428 10 0 CEAERO CC[C@]1(C)CN(Cc2ccn(C(C)C)n2)CCC[NH2+]1 ZINC000085617124 179103762 /nfs/dbraw/zinc/10/37/62/179103762.db2.gz ZYKKWNXWMJSRPA-OAHLLOKOSA-N 1 0 264.417 2.428 10 0 CEAERO C[C@H]1CC[NH2+]CCN1Cc1ccc2ccccc2n1 ZINC000085622315 179105270 /nfs/dbraw/zinc/10/52/70/179105270.db2.gz RCSXZDQWTUWTIF-ZDUSSCGKSA-N 1 0 255.365 2.419 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+][C@@H](C)c2nncn2C)C12CCCC2 ZINC000085679529 179113412 /nfs/dbraw/zinc/11/34/12/179113412.db2.gz DYRBCSAKNPTERH-XQQFMLRXSA-N 1 0 278.400 2.204 10 0 CEAERO Cc1cc(C2=NO[C@H](C[NH3+])C2)ccc1Br ZINC000085708768 179122996 /nfs/dbraw/zinc/12/29/96/179122996.db2.gz ZWWFIYBPDJXPDB-VIFPVBQESA-N 1 0 269.142 2.209 10 0 CEAERO C[C@H]([NH3+])C1CCN(c2ccc(C(N)=O)cc2Cl)CC1 ZINC000110651365 136557928 /nfs/dbraw/zinc/55/79/28/136557928.db2.gz KBHFBFGJQZPUDP-VIFPVBQESA-N 1 0 281.787 2.003 10 0 CEAERO C[C@H]([NH3+])Cc1cc(F)ccc1N1CCOCC1(C)C ZINC000111507703 136563005 /nfs/dbraw/zinc/56/30/05/136563005.db2.gz PFVUXXMFIHLMBP-NSHDSACASA-N 1 0 266.360 2.331 10 0 CEAERO [NH3+]Cc1ccc(CN2C(=O)COc3ccccc32)c(F)c1 ZINC000019265856 136576542 /nfs/dbraw/zinc/57/65/42/136576542.db2.gz AICYQOBWAHTUAG-UHFFFAOYSA-N 1 0 286.306 2.210 10 0 CEAERO CCCc1nsc(NC[C@]2(C)CCC[NH2+]C2)n1 ZINC000129366478 365851174 /nfs/dbraw/zinc/85/11/74/365851174.db2.gz GAWFRGCOCKUNFH-GFCCVEGCSA-N 1 0 254.403 2.292 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCc1ccc(Cl)s1 ZINC000335594270 212306396 /nfs/dbraw/zinc/30/63/96/212306396.db2.gz XJKNRFMJVUZBIQ-SCZZXKLOSA-N 1 0 272.801 2.406 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1CNC(=O)Cc1cccc(F)c1 ZINC000085966182 179205853 /nfs/dbraw/zinc/20/58/53/179205853.db2.gz AUVPCIXJGLRKNF-JSGCOSHPSA-N 1 0 264.344 2.002 10 0 CEAERO Cc1cc(C(=O)NC[C@@H]2CCCC[C@H]2[NH3+])c(C)o1 ZINC000085967056 179206100 /nfs/dbraw/zinc/20/61/00/179206100.db2.gz QUAPMIWBXRSARG-WCQYABFASA-N 1 0 250.342 2.144 10 0 CEAERO COc1ccc(NC(=O)NC[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000085970416 179206703 /nfs/dbraw/zinc/20/67/03/179206703.db2.gz IQCZTFVNLZYKQV-RISCZKNCSA-N 1 0 277.368 2.334 10 0 CEAERO CCCOc1cncc(NC[C@@H]2CCCC[C@@H]2[NH3+])n1 ZINC000085975459 179207685 /nfs/dbraw/zinc/20/76/85/179207685.db2.gz PLANPDBPYZRQRL-RYUDHWBXSA-N 1 0 264.373 2.195 10 0 CEAERO CCC[NH2+][C@H](CCO)CN1CCC(C(C)(C)C)CC1 ZINC000085922607 179201087 /nfs/dbraw/zinc/20/10/87/179201087.db2.gz RVOVKLWHEPSRBU-OAHLLOKOSA-N 1 0 270.461 2.495 10 0 CEAERO CCC[NH2+][C@@H](CCO)CN(CC(F)(F)F)C(C)C ZINC000085922510 179201457 /nfs/dbraw/zinc/20/14/57/179201457.db2.gz WQXALEHDXMRZCE-NSHDSACASA-N 1 0 270.339 2.010 10 0 CEAERO CC[NH2+][C@@H](CCO)COc1ccc2c(c1)CCCC2 ZINC000085926712 179202448 /nfs/dbraw/zinc/20/24/48/179202448.db2.gz QUWQZJDBCVUYOX-HNNXBMFYSA-N 1 0 263.381 2.305 10 0 CEAERO O[C@H]1CCCC[C@@H]1C[NH2+]CCCOCC(F)(F)F ZINC000085985609 179211340 /nfs/dbraw/zinc/21/13/40/179211340.db2.gz LTXFNDYPCUNNBL-MNOVXSKESA-N 1 0 269.307 2.096 10 0 CEAERO CCOC(=O)CCCCC[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000085987530 179212804 /nfs/dbraw/zinc/21/28/04/179212804.db2.gz OBRXORMSXAWDIL-UONOGXRCSA-N 1 0 271.401 2.251 10 0 CEAERO CCCCc1ccc([C@@H]([NH3+])[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000086020042 179217900 /nfs/dbraw/zinc/21/79/00/179217900.db2.gz CNYMYSUPKSPQBD-HUUCEWRRSA-N 1 0 281.421 2.464 10 0 CEAERO CC[NH2+][C@H](c1ccc(CC)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000086020956 179218080 /nfs/dbraw/zinc/21/80/80/179218080.db2.gz NNWLACZKTJFJFN-MFKMUULPSA-N 1 0 287.450 2.396 10 0 CEAERO [NH3+][C@H](Cc1cccc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000086025210 179219537 /nfs/dbraw/zinc/21/95/37/179219537.db2.gz SUOXMFZUBRIYDB-GOEBONIOSA-N 1 0 289.400 2.144 10 0 CEAERO C[NH2+][C@@H]1CC[C@H](S(=O)(=O)c2ccc(F)c(F)c2)[C@@H]1C ZINC000086041154 179222081 /nfs/dbraw/zinc/22/20/81/179222081.db2.gz KADOXBWOSHFUJH-WQHBLYJGSA-N 1 0 289.347 2.125 10 0 CEAERO CC[NH2+][C@H]1CC[C@@H](S(=O)(=O)c2cccs2)[C@@H]1C ZINC000086040894 179222200 /nfs/dbraw/zinc/22/22/00/179222200.db2.gz MTOIUYVGRGYIQF-OUAUKWLOSA-N 1 0 273.423 2.298 10 0 CEAERO C[C@H]1[C@@H]([NH3+])CC[C@@H]1S(=O)(=O)c1cccc(Cl)c1 ZINC000086041700 179222235 /nfs/dbraw/zinc/22/22/35/179222235.db2.gz BSGIQKVIIXPLET-UWJYBYFXSA-N 1 0 273.785 2.240 10 0 CEAERO C[C@H]([C@H]1CCCO1)N1CC[NH2+]C2(CCCCC2)C1 ZINC000086127751 179236150 /nfs/dbraw/zinc/23/61/50/179236150.db2.gz PPXDXKXLCUIRFQ-ZIAGYGMSSA-N 1 0 252.402 2.162 10 0 CEAERO CC[C@H](C)[C@@H]1CN(Cc2cnc(C)s2)CC[NH2+]1 ZINC000086144131 179237335 /nfs/dbraw/zinc/23/73/35/179237335.db2.gz OVQJLXHPRMJZEF-GWCFXTLKSA-N 1 0 253.415 2.271 10 0 CEAERO C(CN1CC[NH2+][C@H](C2CCCCC2)C1)[C@@H]1CCCO1 ZINC000086145607 179237491 /nfs/dbraw/zinc/23/74/91/179237491.db2.gz SRSOODJZXDHYHN-HOTGVXAUSA-N 1 0 266.429 2.410 10 0 CEAERO CC[C@@H]1CC[C@@H](NC(=O)C[NH2+]C2CCCC2)[C@@H]1C ZINC000086093876 179229101 /nfs/dbraw/zinc/22/91/01/179229101.db2.gz WXLYDDHAIQWXTH-YRGRVCCFSA-N 1 0 252.402 2.460 10 0 CEAERO CC[C@@H]1CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)[C@@H]1C ZINC000086095689 179229345 /nfs/dbraw/zinc/22/93/45/179229345.db2.gz LXHRTGGCFYHCIC-OPRDCNLKSA-N 1 0 266.307 2.079 10 0 CEAERO CC[C@@H]1CC[C@@H](NC(=O)C[C@@H]2CCCC[NH2+]2)[C@@H]1C ZINC000086098756 179229388 /nfs/dbraw/zinc/22/93/88/179229388.db2.gz VGMJBLPHXRCGBI-YIYPIFLZSA-N 1 0 252.402 2.460 10 0 CEAERO CC[C@H](C)[C@H]1CN([C@@H]2COc3ccccc32)CC[NH2+]1 ZINC000086150073 179240573 /nfs/dbraw/zinc/24/05/73/179240573.db2.gz INXRMGAHXNUSRZ-NWANDNLSSA-N 1 0 260.381 2.440 10 0 CEAERO [NH3+]CC1(CO)CC(OCc2cccc3ccccc32)C1 ZINC000606302474 347464667 /nfs/dbraw/zinc/46/46/67/347464667.db2.gz MWUKXVOUGYHHKA-UHFFFAOYSA-N 1 0 271.360 2.456 10 0 CEAERO CC(C)[C@H]1CN(c2cnn(C(C)C)c2)[C@@H](C)C[NH2+]1 ZINC000086175113 179245606 /nfs/dbraw/zinc/24/56/06/179245606.db2.gz HXUIDOHTEAFNQS-GXTWGEPZSA-N 1 0 250.390 2.287 10 0 CEAERO Cc1ncsc1CN1C[C@H](C)[NH2+]C[C@@H]1C(C)C ZINC000086175524 179245863 /nfs/dbraw/zinc/24/58/63/179245863.db2.gz OCCLPOGIVLUDFX-CMPLNLGQSA-N 1 0 253.415 2.270 10 0 CEAERO CSCCN1C[C@H](Cc2ccccc2)[NH2+]C[C@@H]1C ZINC000086176009 179246433 /nfs/dbraw/zinc/24/64/33/179246433.db2.gz PQYUIJWUFLLVLW-ZFWWWQNUSA-N 1 0 264.438 2.254 10 0 CEAERO COc1ccc(Br)cc1[C@H]1OCC[C@H]1[NH3+] ZINC000086249798 179255980 /nfs/dbraw/zinc/25/59/80/179255980.db2.gz QZGMLPLHKWAMFE-MWLCHTKSSA-N 1 0 272.142 2.246 10 0 CEAERO [NH3+]Cc1ccc(Br)cc1SC1COC1 ZINC000086196207 179248593 /nfs/dbraw/zinc/24/85/93/179248593.db2.gz VIVNGLOKQYXBIA-UHFFFAOYSA-N 1 0 274.183 2.399 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](c2ccccc2)CN1c1cnn(C)c1 ZINC000086218332 179249801 /nfs/dbraw/zinc/24/98/01/179249801.db2.gz YCOSJWVNWFWJJY-GDBMZVCRSA-N 1 0 270.380 2.350 10 0 CEAERO CC[C@@H]1C[NH2+]C2(CCCCC2)CN1c1cnn(C)c1 ZINC000086218328 179249943 /nfs/dbraw/zinc/24/99/43/179249943.db2.gz NTTUYYJUVAGCRW-CYBMUJFWSA-N 1 0 262.401 2.311 10 0 CEAERO CC(C)[C@H]1C[NH2+][C@H](C2CC2)CN1CCc1ccncc1 ZINC000086223315 179251759 /nfs/dbraw/zinc/25/17/59/179251759.db2.gz AUEAKYFMFOFNTP-DLBZAZTESA-N 1 0 273.424 2.333 10 0 CEAERO CCC1(CC)CN(CCc2ccncc2)[C@@H](C)C[NH2+]1 ZINC000086223337 179251884 /nfs/dbraw/zinc/25/18/84/179251884.db2.gz VHPVAGWCOGHWAJ-AWEZNQCLSA-N 1 0 261.413 2.477 10 0 CEAERO C[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1CCc1cccnc1 ZINC000086223254 179252032 /nfs/dbraw/zinc/25/20/32/179252032.db2.gz QAAJXAFHGVEIPL-HIFRSBDPSA-N 1 0 261.413 2.333 10 0 CEAERO Cc1nc(CN2C[C@@](C)(C3CC3)[NH2+]C[C@@H]2C)cs1 ZINC000086226932 179253301 /nfs/dbraw/zinc/25/33/01/179253301.db2.gz DGCKCKCSKIZBJQ-HZMBPMFUSA-N 1 0 265.426 2.414 10 0 CEAERO Cc1ccc2ncc(C[N@H+]3CC[C@H](c4cnn(C)c4)C3)n2c1 ZINC000128555780 187377152 /nfs/dbraw/zinc/37/71/52/187377152.db2.gz AVLPQINLSHQMLB-AWEZNQCLSA-N 1 0 295.390 2.366 10 0 CEAERO CCC[NH2+][C@H]1C(=O)Nc2cc(O)c(Br)cc21 ZINC000086233127 179254267 /nfs/dbraw/zinc/25/42/67/179254267.db2.gz USBNNLYBYWBGCU-SNVBAGLBSA-N 1 0 285.141 2.148 10 0 CEAERO COCc1nc(C[NH2+]CCc2ccco2)cs1 ZINC000608053495 347557166 /nfs/dbraw/zinc/55/71/66/347557166.db2.gz AHAGKEKUJZJSQQ-UHFFFAOYSA-N 1 0 252.339 2.215 10 0 CEAERO CO[C@H]1CCC[C@H]1[N@@H+]1CC(C)(C)NC[C@@H]1C(C)C ZINC000086261346 179260646 /nfs/dbraw/zinc/26/06/46/179260646.db2.gz UZXCRVTZCLDHCR-MCIONIFRSA-N 1 0 254.418 2.262 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C2CC2)CN1CCc1nccs1 ZINC000086264317 179260897 /nfs/dbraw/zinc/26/08/97/179260897.db2.gz LDEHKHGCWNLLQM-CHWSQXEVSA-N 1 0 265.426 2.148 10 0 CEAERO CCC1(CC)CN(Cc2nccn2C)[C@H](C(C)C)C[NH2+]1 ZINC000086264873 179261311 /nfs/dbraw/zinc/26/13/11/179261311.db2.gz GJJJHUONUWTGCI-AWEZNQCLSA-N 1 0 278.444 2.409 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C2CC2)CN1CCc1nccs1 ZINC000086264316 179261406 /nfs/dbraw/zinc/26/14/06/179261406.db2.gz LDEHKHGCWNLLQM-STQMWFEESA-N 1 0 265.426 2.148 10 0 CEAERO CC[C@H]1CN(c2cc(OC)ccc2OC)CCC[NH2+]1 ZINC000086269547 179262339 /nfs/dbraw/zinc/26/23/39/179262339.db2.gz JLJHVOSBNHPCNM-LBPRGKRZSA-N 1 0 264.369 2.282 10 0 CEAERO CCC[NH2+]CCNc1nc(Br)cs1 ZINC000086290695 179265166 /nfs/dbraw/zinc/26/51/66/179265166.db2.gz BJSFIDOWXXNHKA-UHFFFAOYSA-N 1 0 264.192 2.317 10 0 CEAERO CCn1cc(N2CCC[NH2+][C@H](CC(C)C)C2)cn1 ZINC000086287186 179264153 /nfs/dbraw/zinc/26/41/53/179264153.db2.gz UWYLSRANHMCYBT-CYBMUJFWSA-N 1 0 250.390 2.117 10 0 CEAERO Brc1csc(NC[C@@H]2CCC[NH2+]2)n1 ZINC000086290688 179265750 /nfs/dbraw/zinc/26/57/50/179265750.db2.gz LWPIESGZUYGHMM-LURJTMIESA-N 1 0 262.176 2.070 10 0 CEAERO CCC1(CC)C[N@H+](C[C@@H]2CCCOC2)CCCN1 ZINC000086292520 179266574 /nfs/dbraw/zinc/26/65/74/179266574.db2.gz SEFNFBOMMHFBNF-AWEZNQCLSA-N 1 0 254.418 2.267 10 0 CEAERO Cc1nccc(CN2CCC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000086292605 179266878 /nfs/dbraw/zinc/26/68/78/179266878.db2.gz PMNDOIHAUFOMHE-QGZVFWFLSA-N 1 0 282.391 2.322 10 0 CEAERO CC(C)[C@@H]1CN(C[C@@H]2Cc3ccccc3O2)CCC[NH2+]1 ZINC000086293899 179267496 /nfs/dbraw/zinc/26/74/96/179267496.db2.gz AXJHDYMHGQFXAV-HOTGVXAUSA-N 1 0 274.408 2.310 10 0 CEAERO c1nc(CCN2CCC[NH2+]C3(CCCC3)C2)cs1 ZINC000086297918 179268508 /nfs/dbraw/zinc/26/85/08/179268508.db2.gz ZODRBOORXYVVQZ-UHFFFAOYSA-N 1 0 265.426 2.294 10 0 CEAERO CCN(C(=O)c1ccncc1F)c1ccc(C[NH3+])cc1 ZINC000086315827 179268892 /nfs/dbraw/zinc/26/88/92/179268892.db2.gz UPCGNUTWOXTVIQ-UHFFFAOYSA-N 1 0 273.311 2.346 10 0 CEAERO CC[C@H]1CN(CCOC2CCCCC2)CCC[NH2+]1 ZINC000086298078 179269233 /nfs/dbraw/zinc/26/92/33/179269233.db2.gz NYFJQXLMMQSOBW-AWEZNQCLSA-N 1 0 254.418 2.410 10 0 CEAERO COc1ccccc1C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000128611934 187379502 /nfs/dbraw/zinc/37/95/02/187379502.db2.gz PRAKQNWBGTWGRP-AWEZNQCLSA-N 1 0 286.379 2.199 10 0 CEAERO CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)COC)c1ccccc1 ZINC000103360148 185832581 /nfs/dbraw/zinc/83/25/81/185832581.db2.gz JRCOPWVIQRZVEA-ZBFHGGJFSA-N 1 0 292.423 2.468 10 0 CEAERO [NH3+][C@H]1CCC[C@H](Oc2ccc(Br)cn2)C1 ZINC000086408905 179285721 /nfs/dbraw/zinc/28/57/21/179285721.db2.gz VRPJQASCCGYDNT-UWVGGRQHSA-N 1 0 271.158 2.493 10 0 CEAERO CN(c1nc2c(s1)CCC[C@H]2[NH3+])C1CCOCC1 ZINC000086442928 179293410 /nfs/dbraw/zinc/29/34/10/179293410.db2.gz OOTLPKQQQWUOMP-SNVBAGLBSA-N 1 0 267.398 2.094 10 0 CEAERO CC[NH2+][C@@H]1CCCc2sc(N(C)CCOC)nc21 ZINC000086443833 179293843 /nfs/dbraw/zinc/29/38/43/179293843.db2.gz MLQGPBVBUWXURW-SNVBAGLBSA-N 1 0 269.414 2.213 10 0 CEAERO CN(c1nc2c(s1)CCC[C@H]2[NH3+])[C@@H]1CCSC1 ZINC000086442607 179294158 /nfs/dbraw/zinc/29/41/58/179294158.db2.gz XQARPNPRPNRPGM-RKDXNWHRSA-N 1 0 269.439 2.421 10 0 CEAERO CC[C@H]1CN(C(=O)c2ccc(C)c(O)c2)[C@@H](CC)C[NH2+]1 ZINC000086446443 179294679 /nfs/dbraw/zinc/29/46/79/179294679.db2.gz HXNQXNPQMDEJSJ-KBPBESRZSA-N 1 0 276.380 2.303 10 0 CEAERO CC[NH+]1CCC(N(C)c2nc3c(s2)CCC[C@@H]3O)CC1 ZINC000086444626 179294989 /nfs/dbraw/zinc/29/49/89/179294989.db2.gz QBABZWQZLMDRAV-LBPRGKRZSA-N 1 0 295.452 2.433 10 0 CEAERO CC[C@@H]1CN(C(=O)c2cc(OC)ccc2O)[C@H](CC)C[NH2+]1 ZINC000086446218 179295143 /nfs/dbraw/zinc/29/51/43/179295143.db2.gz ORHXIHNGBUUXBX-VXGBXAGGSA-N 1 0 292.379 2.003 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)c1ccc2c(c1)COC2 ZINC000086447147 179295329 /nfs/dbraw/zinc/29/53/29/179295329.db2.gz ZZXJLQUDBAWWAL-JKSUJKDBSA-N 1 0 288.391 2.319 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)c1occc1C ZINC000086446779 179295379 /nfs/dbraw/zinc/29/53/79/179295379.db2.gz PBOPWVWTKNJDEX-NWDGAFQWSA-N 1 0 250.342 2.191 10 0 CEAERO CC[C@H]1CN(C(=O)c2occc2C)[C@@H](CC)C[NH2+]1 ZINC000086446781 179295940 /nfs/dbraw/zinc/29/59/40/179295940.db2.gz PBOPWVWTKNJDEX-RYUDHWBXSA-N 1 0 250.342 2.191 10 0 CEAERO CC[C@H](Cc1nc([C@@H]2Cc3ccccc32)no1)[NH2+]C ZINC000086492128 179302492 /nfs/dbraw/zinc/30/24/92/179302492.db2.gz JBIMLTRPQHRNOP-DGCLKSJQSA-N 1 0 257.337 2.298 10 0 CEAERO C[C@@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)c1nccs1 ZINC000086509748 179303797 /nfs/dbraw/zinc/30/37/97/179303797.db2.gz UFBOOZIFLARIRP-SNVBAGLBSA-N 1 0 279.409 2.195 10 0 CEAERO CC[C@@H]1CN(CC(=O)NC2CCCCCC2)[C@@H](CC)C[NH2+]1 ZINC000086465037 179297096 /nfs/dbraw/zinc/29/70/96/179297096.db2.gz HDDUZUHXEMVIMB-ZBFHGGJFSA-N 1 0 295.471 2.288 10 0 CEAERO CC[C@@H]1CN(CC(=O)N(C(C)C)C(C)C)[C@@H](CC)C[NH2+]1 ZINC000086464997 179297110 /nfs/dbraw/zinc/29/71/10/179297110.db2.gz MRDKIVNUXXYUKS-CABCVRRESA-N 1 0 283.460 2.094 10 0 CEAERO COc1cc(Cl)ccc1C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000086467834 179297536 /nfs/dbraw/zinc/29/75/36/179297536.db2.gz CUNOGNKCFYXCQY-NXEZZACHSA-N 1 0 282.771 2.171 10 0 CEAERO COC[C@@](C)([NH3+])c1cscc1Br ZINC000086554045 179307370 /nfs/dbraw/zinc/30/73/70/179307370.db2.gz CVXKZANHHHGKRV-MRVPVSSYSA-N 1 0 250.161 2.331 10 0 CEAERO CO[C@H](C)[C@@H]([NH3+])Cc1cc(F)ccc1Br ZINC000086575752 179308440 /nfs/dbraw/zinc/30/84/40/179308440.db2.gz BHWCKJXEOQMNNM-HQJQHLMTSA-N 1 0 276.149 2.493 10 0 CEAERO COc1ccc(Br)c(C[C@@H]([NH3+])[C@H](C)OC)c1 ZINC000086576224 179308522 /nfs/dbraw/zinc/30/85/22/179308522.db2.gz QXKBWEPLVVOPKX-QPUJVOFHSA-N 1 0 288.185 2.362 10 0 CEAERO CC[C@H](C[NH3+])N1CCN(C(=O)C2CCCCCCC2)CC1 ZINC000086577562 179308613 /nfs/dbraw/zinc/30/86/13/179308613.db2.gz DYRSDPBKDNZVSF-MRXNPFEDSA-N 1 0 295.471 2.228 10 0 CEAERO CO[C@H](C)[C@@H]([NH3+])Cc1cccc(Br)c1 ZINC000086576656 179308681 /nfs/dbraw/zinc/30/86/81/179308681.db2.gz YPNPZKFNAINJNN-KCJUWKMLSA-N 1 0 258.159 2.354 10 0 CEAERO Cc1cnc([C@@H](C)NC(=O)[C@](C)([NH3+])c2ccccc2)o1 ZINC000231744761 539581288 /nfs/dbraw/zinc/58/12/88/539581288.db2.gz JCVSQRRRLWASNI-IAQYHMDHSA-N 1 0 273.336 2.034 10 0 CEAERO C[C@H](CNC1=[NH+]C[C@H](C)CS1)N1CCCCC1 ZINC000086633176 179314883 /nfs/dbraw/zinc/31/48/83/179314883.db2.gz MQTVXRKQYOXNHN-NWDGAFQWSA-N 1 0 255.431 2.189 10 0 CEAERO COc1ccc([C@H]2C[NH2+]C[C@H](C)CO2)cc1OC ZINC000086633714 179314897 /nfs/dbraw/zinc/31/48/97/179314897.db2.gz JOULQLPHHPIFEP-IINYFYTJSA-N 1 0 251.326 2.001 10 0 CEAERO COC[C@@H]([NH2+][C@H](C)c1c(C)nn(C)c1C)C(C)C ZINC000086695244 179320681 /nfs/dbraw/zinc/32/06/81/179320681.db2.gz ULXLYOUZWLPOKP-ZWNOBZJWSA-N 1 0 253.390 2.359 10 0 CEAERO COC[C@H]([NH3+])Cc1cc(F)cc(Br)c1 ZINC000086696169 179321038 /nfs/dbraw/zinc/32/10/38/179321038.db2.gz OJDUOROQJLSZKJ-SNVBAGLBSA-N 1 0 262.122 2.104 10 0 CEAERO Cc1nc(SC[C@@](C)(CO)[NH2+]C(C)C)nc(C)c1C ZINC000086646922 179316504 /nfs/dbraw/zinc/31/65/04/179316504.db2.gz YZDYQFSHZJRQOG-CQSZACIVSA-N 1 0 283.441 2.243 10 0 CEAERO OC1([C@H]2[NH2+]Cc3ccccc32)Cc2ccccc2C1 ZINC000086666374 179317190 /nfs/dbraw/zinc/31/71/90/179317190.db2.gz ZDEJEGZOGAETRJ-INIZCTEOSA-N 1 0 251.329 2.361 10 0 CEAERO O[C@@H](c1ccc2c(c1)CCO2)[C@H]1[NH2+]Cc2ccccc21 ZINC000086668062 179317291 /nfs/dbraw/zinc/31/72/91/179317291.db2.gz COVMEGVBTMJKHH-IRXDYDNUSA-N 1 0 267.328 2.499 10 0 CEAERO CS(=O)(=O)[C@@H]1CCC[C@H]1[NH2+]C1CCCCCC1 ZINC000086671049 179317657 /nfs/dbraw/zinc/31/76/57/179317657.db2.gz UUBJBOCMMPNYQB-CHWSQXEVSA-N 1 0 259.415 2.265 10 0 CEAERO CN(CC1CC[NH2+]CC1)c1ncccc1Br ZINC000086704010 179322357 /nfs/dbraw/zinc/32/23/57/179322357.db2.gz QCRYMSXBJNSBSR-UHFFFAOYSA-N 1 0 284.201 2.280 10 0 CEAERO COC[C@@H]([NH2+][C@@H]1COc2cc(O)ccc21)C(C)C ZINC000086682579 179320190 /nfs/dbraw/zinc/32/01/90/179320190.db2.gz FRCCVFQOYZAUBA-CHWSQXEVSA-N 1 0 251.326 2.086 10 0 CEAERO O[C@H](C[NH2+]C[C@@H]1CCCC[C@@H]1O)CC1CCCC1 ZINC000232132346 539592969 /nfs/dbraw/zinc/59/29/69/539592969.db2.gz OWAODQFDJSKZTQ-KKUMJFAQSA-N 1 0 255.402 2.068 10 0 CEAERO COC[C@@H](NC(=O)Nc1ccc([C@@H](C)[NH3+])cc1)C(C)C ZINC000086706948 179322426 /nfs/dbraw/zinc/32/24/26/179322426.db2.gz KHRRURLKORWJFK-BXUZGUMPSA-N 1 0 279.384 2.499 10 0 CEAERO COC(=O)[C@H](C)OC1(C[NH3+])CCC(C(C)(C)C)CC1 ZINC000086713710 179322701 /nfs/dbraw/zinc/32/27/01/179322701.db2.gz PTBJYUXNIFTBCI-BZUNDVKYSA-N 1 0 271.401 2.498 10 0 CEAERO CCC(CC)NC(=O)CO[C@@]1(C[NH3+])CCC[C@H](C)C1 ZINC000086713096 179322747 /nfs/dbraw/zinc/32/27/47/179322747.db2.gz PBWKJCSKFMYGOX-WFASDCNBSA-N 1 0 270.417 2.215 10 0 CEAERO CCCCNC(=O)COC1(C[NH3+])CCC(C(C)C)CC1 ZINC000086713535 179322820 /nfs/dbraw/zinc/32/28/20/179322820.db2.gz DZZWUUGOOBNHNM-UHFFFAOYSA-N 1 0 284.444 2.463 10 0 CEAERO CCC1CCC(C[NH3+])(OCC(=O)N(CC)CC)CC1 ZINC000086713172 179322926 /nfs/dbraw/zinc/32/29/26/179322926.db2.gz GDKNEWHSOAQVBJ-UHFFFAOYSA-N 1 0 270.417 2.169 10 0 CEAERO CCC1CCC(C[NH3+])(OCC(=O)NCCC(C)C)CC1 ZINC000086713303 179323007 /nfs/dbraw/zinc/32/30/07/179323007.db2.gz MQFCAXVFDIRYGA-UHFFFAOYSA-N 1 0 284.444 2.463 10 0 CEAERO CCn1cc(CN2CCC[N@H+](Cc3ccncc3)CC2)cn1 ZINC000130399097 365953045 /nfs/dbraw/zinc/95/30/45/365953045.db2.gz SFECXLMYQIYVBA-UHFFFAOYSA-N 1 0 299.422 2.006 10 0 CEAERO Cc1cc(Br)cnc1N1CCC(C[NH3+])CC1 ZINC000086707011 539599287 /nfs/dbraw/zinc/59/92/87/539599287.db2.gz RNRMYFGKJCIRBE-UHFFFAOYSA-N 1 0 284.201 2.328 10 0 CEAERO C[NH2+][C@H](Cc1nccs1)Cc1nc(C)cs1 ZINC000086827572 179348140 /nfs/dbraw/zinc/34/81/40/179348140.db2.gz AICUSTWFQFYINA-SECBINFHSA-N 1 0 253.396 2.281 10 0 CEAERO C[N@@H+]1CCC[C@H](Nc2ccccc2-n2ccnn2)CC1 ZINC000086817601 179346092 /nfs/dbraw/zinc/34/60/92/179346092.db2.gz WSNZPZPEDQIOHQ-ZDUSSCGKSA-N 1 0 271.368 2.164 10 0 CEAERO CC(C)C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C(C)C)CC1)C(=O)[O-] ZINC000086843284 179352571 /nfs/dbraw/zinc/35/25/71/179352571.db2.gz HSXIBYQEATXGGH-ZIAGYGMSSA-N 1 0 270.417 2.338 10 0 CEAERO CC[N@@H+]1CCC[C@@](O)(c2cc(OC)ccc2OC)CC1 ZINC000086852278 179359756 /nfs/dbraw/zinc/35/97/56/179359756.db2.gz PFCCIUJJJZEAPB-INIZCTEOSA-N 1 0 279.380 2.397 10 0 CEAERO CCC[N@@H+]1CCC[C@](C(=O)[O-])([NH+]2CCCCC2)CC1 ZINC000086867821 179360636 /nfs/dbraw/zinc/36/06/36/179360636.db2.gz ULLUXYMCVACJAK-HNNXBMFYSA-N 1 0 268.401 2.192 10 0 CEAERO CC[N@@H+]1CCC[C@@H]([NH+]2CC[C@@](CC)(C(=O)[O-])C2)CC1 ZINC000086869108 179361227 /nfs/dbraw/zinc/36/12/27/179361227.db2.gz CTRAUUOJDONARJ-UKRRQHHQSA-N 1 0 268.401 2.048 10 0 CEAERO CC(C)[N@@H+]1CCC[C@H]([NH+]2CCC[C@@H]2CC(=O)[O-])CC1 ZINC000086869204 179361418 /nfs/dbraw/zinc/36/14/18/179361418.db2.gz SNYQCNLIYMVTRZ-UONOGXRCSA-N 1 0 268.401 2.188 10 0 CEAERO CCC[N@@H+]1CCC[C@H]([NH+](CC)C(C)(C)C(=O)[O-])CC1 ZINC000086868920 179361444 /nfs/dbraw/zinc/36/14/44/179361444.db2.gz VMZIKILJIZFPMW-ZDUSSCGKSA-N 1 0 270.417 2.436 10 0 CEAERO CC(C)[N@@H+]1CCC[C@@H]([NH+]2CCC(C)(C(=O)[O-])CC2)CC1 ZINC000086869073 179361788 /nfs/dbraw/zinc/36/17/88/179361788.db2.gz SWFSMAUVIXUIAG-CQSZACIVSA-N 1 0 282.428 2.436 10 0 CEAERO CCC[N@@H+]1CCC[C@H]([NH2+][C@@](C)(CCC)C(=O)[O-])CC1 ZINC000086868649 179362218 /nfs/dbraw/zinc/36/22/18/179362218.db2.gz GEQHCRFIRARLGX-ZFWWWQNUSA-N 1 0 270.417 2.484 10 0 CEAERO CC[C@@H](C)[N@H+](CC(=O)[O-])[C@@H]1CCC[NH+](C(C)C)CC1 ZINC000086868837 179362816 /nfs/dbraw/zinc/36/28/16/179362816.db2.gz RQVGKBRDOCOHGI-ZIAGYGMSSA-N 1 0 270.417 2.434 10 0 CEAERO CCC[N@H+](CC(=O)[O-])[C@H]1CCC[NH+](CCC)CC1 ZINC000086869054 179362830 /nfs/dbraw/zinc/36/28/30/179362830.db2.gz TUTJQHQQFXBGMC-ZDUSSCGKSA-N 1 0 256.390 2.048 10 0 CEAERO CC(C)[N@@H+]1CCC[C@](Nc2ccccc2)(C(N)=O)CC1 ZINC000086849312 179358402 /nfs/dbraw/zinc/35/84/02/179358402.db2.gz BKGCSJBYVQIUBC-MRXNPFEDSA-N 1 0 275.396 2.217 10 0 CEAERO CC[N@@H+]1CCC[C@@](O)(c2ccc(OC)c(OC)c2)CC1 ZINC000086852143 179359156 /nfs/dbraw/zinc/35/91/56/179359156.db2.gz GXNBETXAWDSYML-INIZCTEOSA-N 1 0 279.380 2.397 10 0 CEAERO CC[N@@H+]1CCC[C@](O)(c2ccc3c(c2)OCCO3)CC1 ZINC000086852137 179359287 /nfs/dbraw/zinc/35/92/87/179359287.db2.gz IPTQUDPNLGAZRG-MRXNPFEDSA-N 1 0 277.364 2.151 10 0 CEAERO CCS(=O)(=O)CCC[C@@H](CCc1ccccc1)[NH2+]C ZINC000086979038 179372774 /nfs/dbraw/zinc/37/27/74/179372774.db2.gz DKKHASXJIJFMRR-HNNXBMFYSA-N 1 0 283.437 2.422 10 0 CEAERO CCC(CC)[N@H+](CCOC)[C@]1(CN)CCCOCC1 ZINC000086875412 179365283 /nfs/dbraw/zinc/36/52/83/179365283.db2.gz UTJVKVWNEAXWKF-OAHLLOKOSA-N 1 0 272.433 2.021 10 0 CEAERO CCc1nn(C)c(/C=C2\CC[NH2+]C2)c1Br ZINC000086882378 179365422 /nfs/dbraw/zinc/36/54/22/179365422.db2.gz PIDZPAANSFTHQR-SOFGYWHQSA-N 1 0 270.174 2.122 10 0 CEAERO C[C@H]1CCC[C@](CN)([N@H+](C)C2CCOCC2)CC1 ZINC000086890732 179366393 /nfs/dbraw/zinc/36/63/93/179366393.db2.gz YGKWXFAMCOSQAT-ZFWWWQNUSA-N 1 0 254.418 2.395 10 0 CEAERO CCn1cc([C@H]([NH2+]C)[C@@H]2CSCCS2)cn1 ZINC000086985067 179373803 /nfs/dbraw/zinc/37/38/03/179373803.db2.gz PHCYIZYZDVMARU-QWRGUYRKSA-N 1 0 257.428 2.012 10 0 CEAERO CCN(CC)CC[NH2+][C@]1(C(N)=O)CCCC(C)(C)CC1 ZINC000086914599 179367065 /nfs/dbraw/zinc/36/70/65/179367065.db2.gz XOMPTEFARWKUAX-MRXNPFEDSA-N 1 0 283.460 2.132 10 0 CEAERO CCC[C@H]1CCC[C@](C[NH3+])(N2CCn3cnnc3C2)CC1 ZINC000086949098 179368979 /nfs/dbraw/zinc/36/89/79/179368979.db2.gz DILNPGVUTSTCFM-HOCLYGCPSA-N 1 0 291.443 2.172 10 0 CEAERO C[NH2+][C@@H](CCCOC)c1ccc2c(c1)OCCO2 ZINC000086969743 179370899 /nfs/dbraw/zinc/37/08/99/179370899.db2.gz LNHAZRJCLKCRRB-LBPRGKRZSA-N 1 0 251.326 2.145 10 0 CEAERO C[NH2+][C@H](CC[C@@H]1CCCO1)[C@@H]1CSCCS1 ZINC000086984832 179373754 /nfs/dbraw/zinc/37/37/54/179373754.db2.gz KJBPTGWSBLWGEQ-TUAOUCFPSA-N 1 0 261.456 2.382 10 0 CEAERO CCS(=O)(=O)CCC[C@]1([NH3+])CCCc2ccccc21 ZINC000086977269 179371973 /nfs/dbraw/zinc/37/19/73/179371973.db2.gz WCXWWGCWSVTUII-OAHLLOKOSA-N 1 0 281.421 2.392 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]1CCc2ccccc2[C@@H]1[NH3+] ZINC000086976344 179371990 /nfs/dbraw/zinc/37/19/90/179371990.db2.gz YVKVMKWMZROOAE-UKRRQHHQSA-N 1 0 281.421 2.464 10 0 CEAERO COc1ccc([C@@H](C[NH3+])N(C)Cc2ccncc2)cc1F ZINC000086983602 179373974 /nfs/dbraw/zinc/37/39/74/179373974.db2.gz KWMQUKYHXWBRIP-OAHLLOKOSA-N 1 0 289.354 2.361 10 0 CEAERO CC(C)(O)C[NH2+]C[C@@H](O)c1cc(Cl)ccc1Cl ZINC000087018303 179380833 /nfs/dbraw/zinc/38/08/33/179380833.db2.gz FTDHLWLQYRZMFN-LLVKDONJSA-N 1 0 278.179 2.387 10 0 CEAERO C[NH2+][C@@H](c1cncc(F)c1)[C@@H]1CSCCS1 ZINC000086985059 179374135 /nfs/dbraw/zinc/37/41/35/179374135.db2.gz KRJCJUIYFDNRNS-QWRGUYRKSA-N 1 0 258.387 2.330 10 0 CEAERO COc1ccc([C@H](C[NH3+])N(C)CC(C)C)cc1F ZINC000086983534 179374146 /nfs/dbraw/zinc/37/41/46/179374146.db2.gz OMMSOROFEUCVOK-ZDUSSCGKSA-N 1 0 254.349 2.422 10 0 CEAERO CCC[NH2+]Cc1cnc([C@@H]2CSCCS2)[nH]1 ZINC000086985455 179374777 /nfs/dbraw/zinc/37/47/77/179374777.db2.gz AABGDKLMEAHXFI-JTQLQIEISA-N 1 0 257.428 2.430 10 0 CEAERO CC[C@@H]1CO[C@@H](C)CN1[C@@H](C[NH3+])c1ccc(OC)c(F)c1 ZINC000086991779 179375585 /nfs/dbraw/zinc/37/55/85/179375585.db2.gz HFHIYWXZPSLJEX-LNSITVRQSA-N 1 0 296.386 2.333 10 0 CEAERO COc1ccc([C@@H](CO)[NH2+]C2CCCC2)cc1F ZINC000086994932 179376094 /nfs/dbraw/zinc/37/60/94/179376094.db2.gz YZKKIWVPHUDOIZ-CYBMUJFWSA-N 1 0 253.317 2.400 10 0 CEAERO Fc1cc(F)c(-c2nnc(CC[NH2+]C3CC3)o2)c(F)c1 ZINC000086998777 179377999 /nfs/dbraw/zinc/37/79/99/179377999.db2.gz YLQMAZLOWUEBHY-UHFFFAOYSA-N 1 0 283.253 2.448 10 0 CEAERO C[C@@H]1CC[C@H](C[NH3+])CN1C(=O)c1c(F)cc(F)cc1F ZINC000086998045 179378041 /nfs/dbraw/zinc/37/80/41/179378041.db2.gz KTMFJWXMUDIHMJ-RKDXNWHRSA-N 1 0 286.297 2.303 10 0 CEAERO CC1CCC(O)(C[NH2+][C@H]2CCCCC[C@H]2O)CC1 ZINC000087061780 179389449 /nfs/dbraw/zinc/38/94/49/179389449.db2.gz ZFIYQIGZILOBNL-RAFNIBEQSA-N 1 0 255.402 2.211 10 0 CEAERO [NH3+][C@H]1COC[C@H]1c1nc2cc(Br)ccc2o1 ZINC000087049584 179388699 /nfs/dbraw/zinc/38/86/99/179388699.db2.gz CIVFDRYTFXGTON-SFYZADRCSA-N 1 0 283.125 2.031 10 0 CEAERO COc1ccc(C[C@]2(C)C[NH2+]C[C@H](C)O2)cc1OC ZINC000087090082 179394216 /nfs/dbraw/zinc/39/42/16/179394216.db2.gz OCIFCVOTWUUGFU-XHDPSFHLSA-N 1 0 265.353 2.013 10 0 CEAERO [NH3+]C[C@@H]1CC[C@H](COCc2cccc(Cl)c2)O1 ZINC000087095775 179394425 /nfs/dbraw/zinc/39/44/25/179394425.db2.gz KGVGOOGBXLWUOD-QWHCGFSZSA-N 1 0 255.745 2.363 10 0 CEAERO CCC1CCC(O)(C[NH2+][C@@H]2CN3CCC2CC3)CC1 ZINC000087061376 179389645 /nfs/dbraw/zinc/38/96/45/179389645.db2.gz IBQSXPBZPIYFOE-OGVSOVDVSA-N 1 0 266.429 2.002 10 0 CEAERO CCC1CCC(O)(C[NH2+][C@H]2CCCC[C@@H]2O)CC1 ZINC000087066033 179389945 /nfs/dbraw/zinc/38/99/45/179389945.db2.gz PXFHRVTZSMFJST-GQKFXUNGSA-N 1 0 255.402 2.211 10 0 CEAERO CCC1CCC(O)(C[NH2+]CCN(CC)CC)CC1 ZINC000087065997 179389993 /nfs/dbraw/zinc/38/99/93/179389993.db2.gz CRQONFUASVGCNS-UHFFFAOYSA-N 1 0 256.434 2.249 10 0 CEAERO CCC[C@@]1(C(=O)NCC2(O)CCC(C)CC2)CCC[NH2+]C1 ZINC000087068631 179390601 /nfs/dbraw/zinc/39/06/01/179390601.db2.gz BQXGGJVBSWCGLK-ARWYELJZSA-N 1 0 296.455 2.214 10 0 CEAERO CCC1CCC(O)(C[NH2+]C[C@@H](O)COC(C)(C)C)CC1 ZINC000087066345 179390669 /nfs/dbraw/zinc/39/06/69/179390669.db2.gz GYDNQXPQBDFXJJ-NPCAHTBFSA-N 1 0 287.444 2.083 10 0 CEAERO CC1CCC(O)(CNC(=O)CC2([NH3+])CCCCC2)CC1 ZINC000087068602 179390915 /nfs/dbraw/zinc/39/09/15/179390915.db2.gz BQNCWTKTDMHXIJ-UHFFFAOYSA-N 1 0 282.428 2.096 10 0 CEAERO CCC[C@@]1(C(=O)NCC2(O)CCC(C)(C)CC2)CC[NH2+]C1 ZINC000087068958 179391244 /nfs/dbraw/zinc/39/12/44/179391244.db2.gz LLFLVAXVQIVXHC-MRXNPFEDSA-N 1 0 296.455 2.214 10 0 CEAERO [NH3+]C[C@H](c1ccc(Cl)cc1)[C@@H](O)[C@@H]1CCCOC1 ZINC000087351829 179415522 /nfs/dbraw/zinc/41/55/22/179415522.db2.gz SSMBUQDEDHYEBF-BNOWGMLFSA-N 1 0 269.772 2.170 10 0 CEAERO CSc1ccc(C(=O)[C@@H]2CCC[N@H+](CCO)C2)cc1 ZINC000067540727 362909805 /nfs/dbraw/zinc/90/98/05/362909805.db2.gz UAGLCRMHCMPKGE-CYBMUJFWSA-N 1 0 279.405 2.296 10 0 CEAERO [NH3+]C[C@H](c1cc(F)cc(F)c1)[C@H](O)c1ccco1 ZINC000087382221 179418013 /nfs/dbraw/zinc/41/80/13/179418013.db2.gz ZOJMGOZSMVXFKH-YPMHNXCESA-N 1 0 253.248 2.334 10 0 CEAERO CCC[C@@H](C[NH3+])NC(=O)c1cccc2cccnc21 ZINC000087387303 179419201 /nfs/dbraw/zinc/41/92/01/179419201.db2.gz CEPVAJZOYLANEX-LBPRGKRZSA-N 1 0 257.337 2.092 10 0 CEAERO CCC[C@H](C[NH3+])N1C(=O)CC2(CCCCCC2)C1=O ZINC000087406187 179419928 /nfs/dbraw/zinc/41/99/28/179419928.db2.gz RWALNTFSIOGTFN-GFCCVEGCSA-N 1 0 266.385 2.213 10 0 CEAERO Cc1cscc1C[NH2+]CCc1csc(N)n1 ZINC000087310310 179411374 /nfs/dbraw/zinc/41/13/74/179411374.db2.gz BTHWYTXCZUWKHF-UHFFFAOYSA-N 1 0 253.396 2.428 10 0 CEAERO Cn1cc(-c2ncc(C[NH2+]C(C)(C)C)s2)cn1 ZINC000087426173 179423717 /nfs/dbraw/zinc/42/37/17/179423717.db2.gz YXIGVQMESCAKES-UHFFFAOYSA-N 1 0 250.371 2.432 10 0 CEAERO C[C@H]([NH2+]CC(=O)N(C)[C@H]1CCCC[C@H]1C)[C@H]1CCCO1 ZINC000248563590 539637240 /nfs/dbraw/zinc/63/72/40/539637240.db2.gz DHYIMHCAVPPDRX-CBBWQLFWSA-N 1 0 282.428 2.181 10 0 CEAERO CC[C@@H](C[NH3+])c1nc(Cc2cccc(OC)c2)no1 ZINC000087499479 179435674 /nfs/dbraw/zinc/43/56/74/179435674.db2.gz MDBPWQDVYVKWRN-NSHDSACASA-N 1 0 261.325 2.121 10 0 CEAERO CC[C@@H](C[NH3+])c1nc(Cc2ccc(OC)c(OC)c2)no1 ZINC000087499126 179435705 /nfs/dbraw/zinc/43/57/05/179435705.db2.gz LUHGGRXJFJRBFR-NSHDSACASA-N 1 0 291.351 2.130 10 0 CEAERO CC(C)[C@H](C[NH3+])c1nc(Cc2ccccc2F)no1 ZINC000087499822 179436001 /nfs/dbraw/zinc/43/60/01/179436001.db2.gz MTBYYOKRKNKVBE-NSHDSACASA-N 1 0 263.316 2.498 10 0 CEAERO CCCc1nsc(N2CCC([C@@H]3CCC[NH2+]3)CC2)n1 ZINC000087642628 179462285 /nfs/dbraw/zinc/46/22/85/179462285.db2.gz FWOBNMLEEHZGGW-LBPRGKRZSA-N 1 0 280.441 2.459 10 0 CEAERO CC(C)(CC[NH3+])CCc1nc(-c2cccnc2)no1 ZINC000087663569 179466939 /nfs/dbraw/zinc/46/69/39/179466939.db2.gz XPNJOXJEZBARIK-UHFFFAOYSA-N 1 0 260.341 2.439 10 0 CEAERO Cc1cc(C)nc(NC(=O)[C@H](C)CCC[C@@H](C)[NH3+])n1 ZINC000087683613 179470240 /nfs/dbraw/zinc/47/02/40/179470240.db2.gz IATNEYXUYUDPEP-NXEZZACHSA-N 1 0 264.373 2.186 10 0 CEAERO CC(C)(CC[NH3+])CCC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000087696442 179471671 /nfs/dbraw/zinc/47/16/71/179471671.db2.gz ZNPKMAXLDOVHJF-ZIAGYGMSSA-N 1 0 282.428 2.312 10 0 CEAERO C[C@H](CCC[C@H](C)[NH3+])C(=O)NCCOc1ccccc1 ZINC000087700436 179472728 /nfs/dbraw/zinc/47/27/28/179472728.db2.gz HVLBXHJAKMBBBA-KGLIPLIRSA-N 1 0 278.396 2.335 10 0 CEAERO C[C@@H]([NH3+])CCC[C@H](C)C(=O)NC(C1CC1)C1CC1 ZINC000087698997 179472980 /nfs/dbraw/zinc/47/29/80/179472980.db2.gz PCUWJKRBOIOTJY-WDEREUQCSA-N 1 0 252.402 2.445 10 0 CEAERO CCC[C@H](COC)NC(=O)[C@H](C)CCC[C@@H](C)[NH3+] ZINC000087703652 179473224 /nfs/dbraw/zinc/47/32/24/179473224.db2.gz IUHVEWFVZBCFNC-JHJVBQTASA-N 1 0 258.406 2.071 10 0 CEAERO Cc1nc(-c2cccnc2)nc(C)c1C[C@H](C)C[NH3+] ZINC000087706985 179473785 /nfs/dbraw/zinc/47/37/85/179473785.db2.gz NLWDGIAXFJZAPM-JTQLQIEISA-N 1 0 256.353 2.293 10 0 CEAERO C[NH2+][C@@H]1CCC[C@@H]1c1nc(-c2cccc(C)n2)no1 ZINC000104165479 185915574 /nfs/dbraw/zinc/91/55/74/185915574.db2.gz KZGSQYVINZRFIT-WDEREUQCSA-N 1 0 258.325 2.296 10 0 CEAERO CCCNC(=O)c1cccc(NC(=O)[C@H](C[NH3+])CCC)c1 ZINC000087517282 179438415 /nfs/dbraw/zinc/43/84/15/179438415.db2.gz SBFLTDZFRYWNNA-ZDUSSCGKSA-N 1 0 291.395 2.140 10 0 CEAERO CC[C@H](C[NH3+])C(=O)Nc1ccc(Cl)cc1C(=O)OC ZINC000087517514 179438646 /nfs/dbraw/zinc/43/86/46/179438646.db2.gz YUIWLAWEJSGIFR-MRVPVSSYSA-N 1 0 284.743 2.050 10 0 CEAERO CC[C@H](C[NH3+])C(=O)Nc1ccc(NC(C)=O)c(Cl)c1 ZINC000087518661 179439056 /nfs/dbraw/zinc/43/90/56/179439056.db2.gz HKUGTDQNIKGTBA-SECBINFHSA-N 1 0 283.759 2.222 10 0 CEAERO CC[NH2+][C@@](C)(CC(=O)OC)c1cc(F)ccc1F ZINC000087553795 179446189 /nfs/dbraw/zinc/44/61/89/179446189.db2.gz WWFIJIVXMBXJLO-ZDUSSCGKSA-N 1 0 257.280 2.353 10 0 CEAERO CC(C)(C[NH3+])CCSc1nnc2ccccn21 ZINC000087591410 179451317 /nfs/dbraw/zinc/45/13/17/179451317.db2.gz XTRLVVWTEGBEOD-UHFFFAOYSA-N 1 0 250.371 2.196 10 0 CEAERO OCC[N@@H+]1CCCC[C@H](c2ccc3nnccc3c2)C1 ZINC000616627104 348539381 /nfs/dbraw/zinc/53/93/81/348539381.db2.gz GNSZZTKPXLCPBT-HNNXBMFYSA-N 1 0 271.364 2.192 10 0 CEAERO CC(=O)Nc1ccccc1[C@H]1CCCCN1CC[NH3+] ZINC000616628127 348539404 /nfs/dbraw/zinc/53/94/04/348539404.db2.gz ZIDJXVSEPNVIQE-OAHLLOKOSA-N 1 0 261.369 2.131 10 0 CEAERO OCCc1cccc([C@@H]2C[N@H+](Cc3ccccc3)CCN2)c1 ZINC000616631546 348541546 /nfs/dbraw/zinc/54/15/46/348541546.db2.gz ATFYPTPBHBLVGC-IBGZPJMESA-N 1 0 296.414 2.368 10 0 CEAERO CCOC(=O)N1CC[NH2+]C[C@H]1c1ccc2cnccc2c1 ZINC000616637714 348542805 /nfs/dbraw/zinc/54/28/05/348542805.db2.gz PQUVQTNNIQHRJL-HNNXBMFYSA-N 1 0 285.347 2.338 10 0 CEAERO COc1ccccc1N[C@@]1(C[NH3+])CCCSC1 ZINC000087913031 179521493 /nfs/dbraw/zinc/52/14/93/179521493.db2.gz LSXCNZQXCSXRBU-CYBMUJFWSA-N 1 0 252.383 2.332 10 0 CEAERO CC[C@H]1COCCC[N@@H+]1CCNC(=O)OC(C)(C)C ZINC000616645181 348545309 /nfs/dbraw/zinc/54/53/09/348545309.db2.gz HPUUUTNNCOWBTR-LBPRGKRZSA-N 1 0 272.389 2.012 10 0 CEAERO CCc1nc(N(CC)[C@@H](C)CC)c(C)c(NN)[nH+]1 ZINC000087918445 179523144 /nfs/dbraw/zinc/52/31/44/179523144.db2.gz JHDQGKFMIDJZQG-VIFPVBQESA-N 1 0 251.378 2.258 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@H]1c1nc([C@@H]2CCCOC2)no1 ZINC000087815902 179491782 /nfs/dbraw/zinc/49/17/82/179491782.db2.gz GKFDMKPHKDPYGS-IJLUTSLNSA-N 1 0 265.357 2.339 10 0 CEAERO CC(C)[C@H](C[NH+](C)C)Nc1ncnc2cc(N)ccc21 ZINC000087820506 179493282 /nfs/dbraw/zinc/49/32/82/179493282.db2.gz XDHRQXVDAQAZIP-AWEZNQCLSA-N 1 0 273.384 2.210 10 0 CEAERO CN(C(=O)OC(C)(C)C)c1ccccc1[C@@H]1C[NH2+]CCN1 ZINC000616653275 348549311 /nfs/dbraw/zinc/54/93/11/348549311.db2.gz KRJIVMOBNPXWQX-ZDUSSCGKSA-N 1 0 291.395 2.292 10 0 CEAERO C/C=C(/C)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000616569771 348523503 /nfs/dbraw/zinc/52/35/03/348523503.db2.gz KCEHJFKHHGFPOW-OPNWKXEVSA-N 1 0 276.355 2.354 10 0 CEAERO Cc1ccc(Br)c2c1NC(=O)[C@@H]2CC[NH3+] ZINC000616569478 348523554 /nfs/dbraw/zinc/52/35/54/348523554.db2.gz LRLUPDWAJOYNKF-SSDOTTSWSA-N 1 0 269.142 2.142 10 0 CEAERO CC[NH2+][C@H](Cc1c(F)cccc1Cl)[C@H]1COCCO1 ZINC000087858109 179503084 /nfs/dbraw/zinc/50/30/84/179503084.db2.gz FEMKSZZMKSPEJF-ZIAGYGMSSA-N 1 0 287.762 2.415 10 0 CEAERO Cc1nc(N(CC(C)C)C(C)C)c(C)c(NN)[nH+]1 ZINC000087866748 179505447 /nfs/dbraw/zinc/50/54/47/179505447.db2.gz JSGMVXWZVHCWPX-UHFFFAOYSA-N 1 0 251.378 2.250 10 0 CEAERO CC(=O)Nc1cccc([C@@H]2CCCN(CC[NH3+])CC2)c1 ZINC000616600250 348530155 /nfs/dbraw/zinc/53/01/55/348530155.db2.gz BAJDMBCARLMREA-CQSZACIVSA-N 1 0 275.396 2.173 10 0 CEAERO CC(C)(C)[N@@H+]1CCOC[C@@H](c2cccc(CCO)c2)C1 ZINC000616598743 348530564 /nfs/dbraw/zinc/53/05/64/348530564.db2.gz QNCNEZRIFAOVRK-INIZCTEOSA-N 1 0 277.408 2.436 10 0 CEAERO CCCCN(CCCC)c1nc(NN)[nH+]cc1C ZINC000087884165 179510098 /nfs/dbraw/zinc/51/00/98/179510098.db2.gz IYNSPODVRFCQKY-UHFFFAOYSA-N 1 0 251.378 2.477 10 0 CEAERO CC(=O)Nc1ccc([C@H]2CCCCN(CC[NH3+])C2)cc1 ZINC000616603090 348532140 /nfs/dbraw/zinc/53/21/40/348532140.db2.gz ATUBLEDQMRFZQM-HNNXBMFYSA-N 1 0 275.396 2.173 10 0 CEAERO CCOC(=O)N1CC[NH2+]C[C@H]1c1ccnc2ccccc21 ZINC000616605495 348532529 /nfs/dbraw/zinc/53/25/29/348532529.db2.gz ZBHOMZZACNNAHP-HNNXBMFYSA-N 1 0 285.347 2.338 10 0 CEAERO OCC[N@@H+]1CCCC[C@H](c2cccc3nnccc32)C1 ZINC000616605366 348532817 /nfs/dbraw/zinc/53/28/17/348532817.db2.gz ZKEQTKUIHZDMAC-ZDUSSCGKSA-N 1 0 271.364 2.192 10 0 CEAERO CC(C)(C)OC(=O)NCC[C@H]1CCCCC[N@@H+]1CCO ZINC000616605973 348532829 /nfs/dbraw/zinc/53/28/29/348532829.db2.gz SZVAPLCAFFPMPG-CYBMUJFWSA-N 1 0 286.416 2.138 10 0 CEAERO CC[NH2+]Cc1cc(OC)c(OCOCC)c(OC)c1 ZINC000087888568 179512419 /nfs/dbraw/zinc/51/24/19/179512419.db2.gz TXBZNMOXAFMFDX-UHFFFAOYSA-N 1 0 269.341 2.186 10 0 CEAERO CC(=O)Nc1cccc([C@@H]2COCC[N@@H+](C(C)C)C2)c1 ZINC000616659189 348551309 /nfs/dbraw/zinc/55/13/09/348551309.db2.gz CUXXXGITPDWDPU-HNNXBMFYSA-N 1 0 276.380 2.469 10 0 CEAERO Nc1n[nH]cc1[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000616610444 348534335 /nfs/dbraw/zinc/53/43/35/348534335.db2.gz IXMCAXXDGKEUSU-ZDUSSCGKSA-N 1 0 256.353 2.202 10 0 CEAERO CC(=O)Nc1ccc([C@H]2CCCCN2CC[NH3+])cc1 ZINC000616615153 348535247 /nfs/dbraw/zinc/53/52/47/348535247.db2.gz RJWBZNROHMPQNT-OAHLLOKOSA-N 1 0 261.369 2.131 10 0 CEAERO CC[C@@H]1CCC[C@H](Oc2cc(NN)[nH+]c(C)n2)C1 ZINC000087890703 179514022 /nfs/dbraw/zinc/51/40/22/179514022.db2.gz QEQIOVXUQMATSN-MNOVXSKESA-N 1 0 250.346 2.418 10 0 CEAERO Cc1c[nH+]c(NN)nc1NCc1ccc(Cl)cc1 ZINC000087897823 179515666 /nfs/dbraw/zinc/51/56/66/179515666.db2.gz SVLQTNANIMEMEI-UHFFFAOYSA-N 1 0 263.732 2.336 10 0 CEAERO C[NH2+][C@H](c1cnn(C)c1)[C@H]1CCOc2ccccc21 ZINC000088019972 179536741 /nfs/dbraw/zinc/53/67/41/179536741.db2.gz INYLVVTUETXSHV-DZGCQCFKSA-N 1 0 257.337 2.247 10 0 CEAERO C[C@H](C[NH3+])[S@@](=O)Cc1cc(Br)cs1 ZINC000088067754 179544108 /nfs/dbraw/zinc/54/41/08/179544108.db2.gz NIDOEOLWFZCDQU-CAAJLBCPSA-N 1 0 282.228 2.107 10 0 CEAERO CC(C)([NH3+])C[S@](=O)Cc1ccc(Cl)s1 ZINC000088071383 179544235 /nfs/dbraw/zinc/54/42/35/179544235.db2.gz PLQULDFCBAFRRF-AWEZNQCLSA-N 1 0 251.804 2.388 10 0 CEAERO C[C@@H](CC[NH3+])[S@](=O)Cc1cc(Br)cs1 ZINC000088087516 179546248 /nfs/dbraw/zinc/54/62/48/179546248.db2.gz XNOULMLXYVJGFY-WJWGPLDTSA-N 1 0 296.255 2.497 10 0 CEAERO CC(C)C[C@H](CO)[NH2+]CCc1ccc2c(c1)CCO2 ZINC000088101433 179547551 /nfs/dbraw/zinc/54/75/51/179547551.db2.gz MZFARKRMDUUDCP-OAHLLOKOSA-N 1 0 263.381 2.161 10 0 CEAERO C[C@@H](C[NH3+])C[S@](=O)c1cccc(Br)c1 ZINC000088145386 179556197 /nfs/dbraw/zinc/55/61/97/179556197.db2.gz IHVANKUASOTXLC-RMLUDKJBSA-N 1 0 276.199 2.152 10 0 CEAERO CCOC[C@@H](O)COc1cccc2c1CCC[C@H]2[NH2+]C ZINC000088151570 179557816 /nfs/dbraw/zinc/55/78/16/179557816.db2.gz FFSCAVBVHDUISQ-IUODEOHRSA-N 1 0 279.380 2.060 10 0 CEAERO COc1ccc2nc(-c3ccc(C[NH3+])cc3)[nH]c2n1 ZINC000088192855 179562607 /nfs/dbraw/zinc/56/26/07/179562607.db2.gz XDYALKAVRUZZSU-UHFFFAOYSA-N 1 0 254.293 2.092 10 0 CEAERO OCC[N@@H+]1CCO[C@H](c2cccc(Cl)c2)CC1 ZINC000616665610 348554573 /nfs/dbraw/zinc/55/45/73/348554573.db2.gz OFFKFGQZGMHGSF-ZDUSSCGKSA-N 1 0 255.745 2.096 10 0 CEAERO c1ccc(C[N@@H+]2CCOC[C@H](c3cccnn3)C2)cc1 ZINC000616664335 348554606 /nfs/dbraw/zinc/55/46/06/348554606.db2.gz YUZNIJLRNBCMGT-OAHLLOKOSA-N 1 0 269.348 2.093 10 0 CEAERO COc1ccccc1C[C@@H](C)N(C)C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000088200514 179565166 /nfs/dbraw/zinc/56/51/66/179565166.db2.gz IGJNOAZDWLQWQM-DYVFJYSZSA-N 1 0 290.407 2.084 10 0 CEAERO [NH3+]C[C@H]1CN(Cc2ccccc2)c2ccccc2N1 ZINC000616682999 348559697 /nfs/dbraw/zinc/55/96/97/348559697.db2.gz FTQBBWOISIGUNR-AWEZNQCLSA-N 1 0 253.349 2.446 10 0 CEAERO C[C@H](CNc1nccc(C(F)(F)F)n1)[NH+]1CCCC1 ZINC000088263607 179571761 /nfs/dbraw/zinc/57/17/61/179571761.db2.gz VWHJEHVEHYEADZ-SECBINFHSA-N 1 0 274.290 2.392 10 0 CEAERO CCCO[C@@H]1CCCN(C(=O)C[C@@H](C[NH3+])CC(C)C)C1 ZINC000088277871 179574415 /nfs/dbraw/zinc/57/44/15/179574415.db2.gz XPSRXLVGSLEVTD-LSDHHAIUSA-N 1 0 284.444 2.415 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N1CCC(C(F)(F)F)CC1 ZINC000088418798 179597264 /nfs/dbraw/zinc/59/72/64/179597264.db2.gz SOXOXLKDKQUFBL-SECBINFHSA-N 1 0 266.307 2.162 10 0 CEAERO COCC[NH2+]C[C@@H](C)N1CCCCc2ccccc21 ZINC000088336459 179579256 /nfs/dbraw/zinc/57/92/56/179579256.db2.gz SZARSOPGJFLWOU-CQSZACIVSA-N 1 0 262.397 2.454 10 0 CEAERO CCOC(=O)CC[C@H]([NH3+])Cc1ccccc1COC ZINC000088556859 179624370 /nfs/dbraw/zinc/62/43/70/179624370.db2.gz JCYLXEKPYUDRFJ-AWEZNQCLSA-N 1 0 265.353 2.046 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2CC[C@@H]1Cc1ncnn1C ZINC000088580619 179628644 /nfs/dbraw/zinc/62/86/44/179628644.db2.gz YUSBTHUWSAIRKG-CZUORRHYSA-N 1 0 270.380 2.271 10 0 CEAERO CCC[NH2+][C@@H]1CCCCC[C@H]1Cc1ncnn1C ZINC000088580644 179628824 /nfs/dbraw/zinc/62/88/24/179628824.db2.gz LBNBAYMOKXKNMT-QWHCGFSZSA-N 1 0 250.390 2.306 10 0 CEAERO CCC[NH2+][C@@H](Cc1ncnn1C)c1ccccc1C ZINC000088581803 179629348 /nfs/dbraw/zinc/62/93/48/179629348.db2.gz DSCJFFFOPGWULK-AWEZNQCLSA-N 1 0 258.369 2.407 10 0 CEAERO Cn1ncnc1C[C@H]([NH3+])c1cccc2ccccc21 ZINC000088582059 179629704 /nfs/dbraw/zinc/62/97/04/179629704.db2.gz OJEVEJCWTIIIPX-AWEZNQCLSA-N 1 0 252.321 2.211 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc(Cl)ccc1OCc1ncnn1C ZINC000088582638 179630102 /nfs/dbraw/zinc/63/01/02/179630102.db2.gz UUDOSFWRVGMACH-GFCCVEGCSA-N 1 0 294.786 2.327 10 0 CEAERO CCC[NH2+][C@@H](C)[C@H]1CCCN(Cc2ncnn2C(C)C)C1 ZINC000088584781 179630622 /nfs/dbraw/zinc/63/06/22/179630622.db2.gz PPRBZYASSHCMLG-GJZGRUSLSA-N 1 0 293.459 2.459 10 0 CEAERO C[NH2+]Cc1ccc(OCc2ncnn2C(C)C)cc1 ZINC000088585397 179631439 /nfs/dbraw/zinc/63/14/39/179631439.db2.gz KGMRQZRWRVZIPZ-UHFFFAOYSA-N 1 0 260.341 2.157 10 0 CEAERO C[NH2+][C@@H](Cc1ncnn1C(C)C)[C@@H]1Cc2ccccc21 ZINC000088612635 179639311 /nfs/dbraw/zinc/63/93/11/179639311.db2.gz BHNQBVMNNAOVQU-CABCVRRESA-N 1 0 270.380 2.329 10 0 CEAERO CCn1ncnc1COc1ccc(Cl)cc1CC[NH3+] ZINC000088617332 179640790 /nfs/dbraw/zinc/64/07/90/179640790.db2.gz YIOAKVGTBRDCHW-UHFFFAOYSA-N 1 0 280.759 2.032 10 0 CEAERO CC[NH2+][C@@H]1CC[C@@H](Cc2ncnn2CC(C)C)C1 ZINC000088624016 179641647 /nfs/dbraw/zinc/64/16/47/179641647.db2.gz ZQFREUKALJBSDA-CHWSQXEVSA-N 1 0 250.390 2.255 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC(C)C)CN1Cc1ncnn1C(C)C ZINC000088625462 179642367 /nfs/dbraw/zinc/64/23/67/179642367.db2.gz DZJXBSWJZAXGJP-LSDHHAIUSA-N 1 0 293.459 2.458 10 0 CEAERO CC(C)(C)N1C(=O)CC[C@@H]([NH3+])[C@@H]1c1cn2ccccc2n1 ZINC000088628110 179644207 /nfs/dbraw/zinc/64/42/07/179644207.db2.gz ZBPSFLXFLLERIM-IAQYHMDHSA-N 1 0 286.379 2.124 10 0 CEAERO C[C@@](O)(Cc1ccncc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000088782660 179672693 /nfs/dbraw/zinc/67/26/93/179672693.db2.gz KZXSJAMDKRHHMA-DGCLKSJQSA-N 1 0 254.761 2.028 10 0 CEAERO C[C@H](C[NH+]1CCCC1)NC(=O)c1cccc2cc[nH]c21 ZINC000088733192 179660721 /nfs/dbraw/zinc/66/07/21/179660721.db2.gz CTVDTFHHGDIXBE-GFCCVEGCSA-N 1 0 271.364 2.382 10 0 CEAERO CCOCc1noc([C@@H]2CCCCC[C@H]2[NH2+]C)n1 ZINC000088739213 179661727 /nfs/dbraw/zinc/66/17/27/179661727.db2.gz SXXDRTNECSERPS-GHMZBOCLSA-N 1 0 253.346 2.242 10 0 CEAERO CCOCc1noc(CC2([NH2+]C)CCCCC2)n1 ZINC000088737313 179661750 /nfs/dbraw/zinc/66/17/50/179661750.db2.gz KFDPYHIIKOWGHK-UHFFFAOYSA-N 1 0 253.346 2.071 10 0 CEAERO CCc1nc(CC)n([C@@H](c2ccccc2F)[C@H](C)[NH3+])n1 ZINC000088739990 179662166 /nfs/dbraw/zinc/66/21/66/179662166.db2.gz VAGKARWZOMWILU-ZUZCIYMTSA-N 1 0 276.359 2.479 10 0 CEAERO CC[NH2+]CCc1ccc(S(=O)(=O)NC[C@H](C)CC)cc1 ZINC000089025564 179692573 /nfs/dbraw/zinc/69/25/73/179692573.db2.gz ZNIQSYNWGWEGCF-CYBMUJFWSA-N 1 0 298.452 2.163 10 0 CEAERO CC[NH2+]CCCCS(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000089006632 179690926 /nfs/dbraw/zinc/69/09/26/179690926.db2.gz QIOVENNRPSZHPS-UONOGXRCSA-N 1 0 290.473 2.216 10 0 CEAERO CC(C)[C@@H]1CCCN1S(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000088836725 179680295 /nfs/dbraw/zinc/68/02/95/179680295.db2.gz RIHBVDGVTXEWLC-HNNXBMFYSA-N 1 0 296.436 2.096 10 0 CEAERO C[C@H]1CCC[C@@](C[NH3+])(OCCOC(F)(F)F)C1 ZINC000089051146 179694020 /nfs/dbraw/zinc/69/40/20/179694020.db2.gz SVWKWWHIZGPKKT-VHSXEESVSA-N 1 0 255.280 2.447 10 0 CEAERO COc1cccc(N(CCC[NH3+])CCOC(F)(F)F)c1 ZINC000089051490 179694270 /nfs/dbraw/zinc/69/42/70/179694270.db2.gz YEDXEJGMIKQYDT-UHFFFAOYSA-N 1 0 292.301 2.387 10 0 CEAERO CCCc1nsc(N(C)[C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000089112814 179706959 /nfs/dbraw/zinc/70/69/59/179706959.db2.gz INOIDXWYQWQSOZ-NXEZZACHSA-N 1 0 254.403 2.054 10 0 CEAERO Cc1ccc(S(C)(=O)=O)cc1N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089141910 179720048 /nfs/dbraw/zinc/72/00/48/179720048.db2.gz XIRHASOAJQZXPP-GXTWGEPZSA-N 1 0 296.436 2.328 10 0 CEAERO NC(=O)Nc1cccc(N[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000089144169 179722374 /nfs/dbraw/zinc/72/23/74/179722374.db2.gz SOFCDYNBWPRGAO-ZWNOBZJWSA-N 1 0 262.357 2.107 10 0 CEAERO CCN(C(=O)c1ccc(OC)c(F)c1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089114192 179708195 /nfs/dbraw/zinc/70/81/95/179708195.db2.gz RKBOUKGWOABXGJ-TZMCWYRMSA-N 1 0 294.370 2.424 10 0 CEAERO CN(C(=O)COc1ccccc1)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089118710 179711297 /nfs/dbraw/zinc/71/12/97/179711297.db2.gz KVZJDDVWNYDDLM-HIFRSBDPSA-N 1 0 276.380 2.041 10 0 CEAERO COC(=O)Nc1cccc(N[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089150001 179725264 /nfs/dbraw/zinc/72/52/64/179725264.db2.gz BNURLTDVQCIXOD-MFKMUULPSA-N 1 0 263.341 2.404 10 0 CEAERO CC[NH2+][C@@H](CCOC)Cc1nn(C)c2ccccc12 ZINC000089177614 179742697 /nfs/dbraw/zinc/74/26/97/179742697.db2.gz FXGPFBMXHWWLIF-LBPRGKRZSA-N 1 0 261.369 2.130 10 0 CEAERO CCc1cc(COC2(C[NH3+])CCC(C)CC2)n(C)n1 ZINC000089180749 179744823 /nfs/dbraw/zinc/74/48/23/179744823.db2.gz VAAKTZUKJXYMRN-UHFFFAOYSA-N 1 0 265.401 2.407 10 0 CEAERO CCC[NH2+][C@@H](CCOC)Cc1cc(C)nn1CC ZINC000089193645 179749956 /nfs/dbraw/zinc/74/99/56/179749956.db2.gz BHIGWWJCKGURNO-ZDUSSCGKSA-N 1 0 253.390 2.159 10 0 CEAERO Cc1cc(C[C@H]([NH3+])Cc2cc(C)cc(C)c2)n(C)n1 ZINC000089194210 179749988 /nfs/dbraw/zinc/74/99/88/179749988.db2.gz WVCLNHSLBFQNKO-OAHLLOKOSA-N 1 0 257.381 2.458 10 0 CEAERO CC[NH2+][C@@H](Cc1cc(C)nn1CC)[C@H](C)OCC ZINC000089198331 179751872 /nfs/dbraw/zinc/75/18/72/179751872.db2.gz ZLVIGMJRSODCKE-JSGCOSHPSA-N 1 0 253.390 2.157 10 0 CEAERO Cc1cc(COc2cccc(C[C@H](C)[NH3+])c2)n(C)n1 ZINC000089202200 179752994 /nfs/dbraw/zinc/75/29/94/179752994.db2.gz QFOXJBLKFUOPAX-NSHDSACASA-N 1 0 259.353 2.197 10 0 CEAERO Cc1cc(COc2ccc(C[C@H](C)[NH3+])cc2)n(C)n1 ZINC000089202018 179753086 /nfs/dbraw/zinc/75/30/86/179753086.db2.gz DAXKSLPHLFIVTR-NSHDSACASA-N 1 0 259.353 2.197 10 0 CEAERO COc1cccc(CN(C)C(=O)[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089455129 539717170 /nfs/dbraw/zinc/71/71/70/539717170.db2.gz UPQLFWBGGOGXEV-HIFRSBDPSA-N 1 0 276.380 2.029 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000089452216 539717245 /nfs/dbraw/zinc/71/72/45/539717245.db2.gz NDSADPNYDWISPP-WFASDCNBSA-N 1 0 284.363 2.186 10 0 CEAERO CCc1cc(CN2C[C@@](C)(CC)[NH2+]C[C@@H]2C)n(CC)n1 ZINC000089210357 179755170 /nfs/dbraw/zinc/75/51/70/179755170.db2.gz XXWVBTGJQQAOEF-XJKSGUPXSA-N 1 0 278.444 2.428 10 0 CEAERO CCc1nn(C)c(CN2CCCC[C@@H]2C[NH2+]C)c1Cl ZINC000089320533 179769053 /nfs/dbraw/zinc/76/90/53/179769053.db2.gz VKOPPLCCLRIGMG-LLVKDONJSA-N 1 0 284.835 2.210 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCC(C(F)(F)F)CC1 ZINC000089482496 539719928 /nfs/dbraw/zinc/71/99/28/539719928.db2.gz CTQXIQKZTQCCBW-MWLCHTKSSA-N 1 0 278.318 2.162 10 0 CEAERO CCc1nn(CC)c(C[C@@](C)(C[NH3+])[C@H](C)O)c1Cl ZINC000089379809 179774967 /nfs/dbraw/zinc/77/49/67/179774967.db2.gz FRYBJWXYBIHVSB-ZANVPECISA-N 1 0 273.808 2.007 10 0 CEAERO CCc1nn(CC)c(CN2CC[C@H](C[NH2+]C)C2)c1Cl ZINC000089353390 179772586 /nfs/dbraw/zinc/77/25/86/179772586.db2.gz MUVDUKVJOONKSZ-LLVKDONJSA-N 1 0 284.835 2.160 10 0 CEAERO CN1C(=O)C[C@H]([NH3+])[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000062208847 282642566 /nfs/dbraw/zinc/64/25/66/282642566.db2.gz ZTQYNKILRPFDCR-GXSJLCMTSA-N 1 0 259.136 2.224 10 0 CEAERO COc1ccc(CNC(=O)[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000089386003 179777361 /nfs/dbraw/zinc/77/73/61/179777361.db2.gz GPYXRNRUVWRDOO-HIFRSBDPSA-N 1 0 276.380 2.077 10 0 CEAERO C[C@H](NC(=O)[C@H]1CCCC[C@@H]1C[NH3+])c1cccnc1 ZINC000089387919 179778278 /nfs/dbraw/zinc/77/82/78/179778278.db2.gz BNFPFQNKEXEKBS-SCRDCRAPSA-N 1 0 261.369 2.024 10 0 CEAERO CC(C)(CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000089458085 179794468 /nfs/dbraw/zinc/79/44/68/179794468.db2.gz XIMXPKXYUMAKJD-UKRRQHHQSA-N 1 0 274.408 2.455 10 0 CEAERO O=c1[nH]c2ccccc2cc1C[NH2+]C[C@@H]1CCC[C@@H]1CO ZINC000089484543 179801490 /nfs/dbraw/zinc/80/14/90/179801490.db2.gz LLBOEWIKDHYPES-UONOGXRCSA-N 1 0 286.375 2.439 10 0 CEAERO CC(C)(C)n1cc(C[NH2+]C[C@H]2CCC[C@H]2CO)cn1 ZINC000089494258 179803047 /nfs/dbraw/zinc/80/30/47/179803047.db2.gz WBKQZJLHWUWBMB-KGLIPLIRSA-N 1 0 265.401 2.136 10 0 CEAERO OC[C@H]1CCC[C@@H]1C[NH2+]CCc1ccc2c(c1)CCO2 ZINC000089497676 179804499 /nfs/dbraw/zinc/80/44/99/179804499.db2.gz POGHTOUMPQOGGV-HZPDHXFCSA-N 1 0 275.392 2.162 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1CNC(=O)c1ccc2ncccc2c1 ZINC000089500509 179804914 /nfs/dbraw/zinc/80/49/14/179804914.db2.gz PFERVUOAOGUZTB-LSDHHAIUSA-N 1 0 283.375 2.340 10 0 CEAERO [NH3+]C1(C2CC2)CN(c2cccc(C(F)(F)F)n2)C1 ZINC000089665393 179843628 /nfs/dbraw/zinc/84/36/28/179843628.db2.gz NNYIGVKNTLOYNL-UHFFFAOYSA-N 1 0 257.259 2.028 10 0 CEAERO CC(C)(C)[NH2+]CCn1nnnc1SC1CCCCC1 ZINC000089688623 179846791 /nfs/dbraw/zinc/84/67/91/179846791.db2.gz XWDDUOIKPOHYGX-UHFFFAOYSA-N 1 0 283.445 2.486 10 0 CEAERO COc1ccc([C@H]2C[NH2+]C[C@@H]2NC(=O)OC(C)(C)C)cc1 ZINC000068575208 362944335 /nfs/dbraw/zinc/94/43/35/362944335.db2.gz NTUSMEQMZHLYMM-KGLIPLIRSA-N 1 0 292.379 2.275 10 0 CEAERO C[C@H]([NH2+]C[C@@](C)(O)CO)c1cc(Cl)ccc1Cl ZINC000090286639 179949944 /nfs/dbraw/zinc/94/99/44/179949944.db2.gz RBSNGFDRDMQUAJ-QPUJVOFHSA-N 1 0 278.179 2.387 10 0 CEAERO CCN(C(=O)c1csc2ccccc12)C1C[NH2+]C1 ZINC000090291163 179951533 /nfs/dbraw/zinc/95/15/33/179951533.db2.gz NEWYAMMNSLTIAQ-UHFFFAOYSA-N 1 0 260.362 2.335 10 0 CEAERO COCc1cc(COc2cccc3c2CC[C@H]3[NH3+])no1 ZINC000090254941 179941333 /nfs/dbraw/zinc/94/13/33/179941333.db2.gz XVLQCVLPDPICCZ-CQSZACIVSA-N 1 0 274.320 2.346 10 0 CEAERO CC(C)c1nsc(N2C[C@H]3C[NH2+]C[C@@H]3C2(C)C)n1 ZINC000090338714 179966493 /nfs/dbraw/zinc/96/64/93/179966493.db2.gz LCXCDGKUOYEGJE-ZJUUUORDSA-N 1 0 266.414 2.096 10 0 CEAERO Cc1ccccc1[C@H](C)NC(=O)CSC[C@@H](C)[NH3+] ZINC000090343861 179969291 /nfs/dbraw/zinc/96/92/91/179969291.db2.gz BYRYIMBQUBEHPP-NEPJUHHUSA-N 1 0 266.410 2.253 10 0 CEAERO C[C@H]([NH3+])CCSCC(=O)Nc1cc(C(C)(C)C)no1 ZINC000090345973 179970010 /nfs/dbraw/zinc/97/00/10/179970010.db2.gz AGNUHHXQLBRSAF-VIFPVBQESA-N 1 0 285.413 2.381 10 0 CEAERO C[C@@H]([NH3+])CCSCC(=O)N(C)Cc1cccs1 ZINC000090346759 179970497 /nfs/dbraw/zinc/97/04/97/179970497.db2.gz HXBGZEHPGLZQDU-SNVBAGLBSA-N 1 0 272.439 2.177 10 0 CEAERO C[C@@H]([NH3+])CCSCC(=O)Nc1cccc2nsnc21 ZINC000090346435 179970610 /nfs/dbraw/zinc/97/06/10/179970610.db2.gz JOVUPSKAHVXKQQ-MRVPVSSYSA-N 1 0 296.421 2.100 10 0 CEAERO CC[C@H]([NH3+])CSCCCn1c2ccccc2[nH]c1=O ZINC000090356398 179975166 /nfs/dbraw/zinc/97/51/66/179975166.db2.gz CPIVFVMGKLSRBH-NSHDSACASA-N 1 0 279.409 2.190 10 0 CEAERO C[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1ccc(Cl)cc1 ZINC000623766447 350107415 /nfs/dbraw/zinc/10/74/15/350107415.db2.gz GRPROBCUIGBMTR-TVYUQYBPSA-N 1 0 255.745 2.140 10 0 CEAERO C[C@H]([NH3+])C1CCN(c2nncc3ccccc32)CC1 ZINC000104433456 186000423 /nfs/dbraw/zinc/00/04/23/186000423.db2.gz ROFJIKZSQOBXNS-NSHDSACASA-N 1 0 256.353 2.193 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)Nc1cc(C)ccc1F ZINC000090539630 180000354 /nfs/dbraw/zinc/00/03/54/180000354.db2.gz CXNOONTZGIDLOM-RISCZKNCSA-N 1 0 280.343 2.087 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)N[C@@H](C)c1ccccc1F ZINC000090541556 180000546 /nfs/dbraw/zinc/00/05/46/180000546.db2.gz YCRDIPTWECDJMH-NJZAAPMLSA-N 1 0 294.370 2.018 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)NC(CC)(CC)CC ZINC000090546262 180001320 /nfs/dbraw/zinc/00/13/20/180001320.db2.gz SQUALEMWBWUANL-STQMWFEESA-N 1 0 270.417 2.086 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1CN1c2ccccc2C[C@@H]1C ZINC000090566010 180006041 /nfs/dbraw/zinc/00/60/41/180006041.db2.gz STNXCTOODKEXCP-CWRNSKLLSA-N 1 0 274.408 2.452 10 0 CEAERO C[C@@]1(c2nc3ccccc3n2CC(F)(F)F)COC[C@@H]1[NH3+] ZINC000090571873 180007540 /nfs/dbraw/zinc/00/75/40/180007540.db2.gz ANIZLJZNXUEKIJ-WCQYABFASA-N 1 0 299.296 2.214 10 0 CEAERO C[C@]1(CN(Cc2ccsc2)C2CC2)COC[C@@H]1[NH3+] ZINC000090606765 180011374 /nfs/dbraw/zinc/01/13/74/180011374.db2.gz SACSYGVDKDDZCM-KBPBESRZSA-N 1 0 266.410 2.076 10 0 CEAERO CCN(C[C@@]1(C)COC[C@@H]1[NH3+])c1ccccc1F ZINC000090620773 180014052 /nfs/dbraw/zinc/01/40/52/180014052.db2.gz JKSWZLXANWSWCZ-KBPBESRZSA-N 1 0 252.333 2.016 10 0 CEAERO C[C@H](OC[C@H]([NH3+])c1ccc2c(c1)OCCO2)C(F)(F)F ZINC000090672428 180020782 /nfs/dbraw/zinc/02/07/82/180020782.db2.gz PPDUFXGVSMPBBQ-WPRPVWTQSA-N 1 0 291.269 2.425 10 0 CEAERO C[C@@H](OCCOc1ccccc1C[NH3+])C(F)(F)F ZINC000090671951 180021088 /nfs/dbraw/zinc/02/10/88/180021088.db2.gz YOMBGFPBQSDQDR-SECBINFHSA-N 1 0 263.259 2.492 10 0 CEAERO CCC[NH2+][C@@](C)(CCCCO[C@@H](C)C(F)(F)F)C(N)=O ZINC000090674196 180021787 /nfs/dbraw/zinc/02/17/87/180021787.db2.gz RHGOYFOTEXLRSM-JQWIXIFHSA-N 1 0 298.349 2.368 10 0 CEAERO CCC[NH2+][C@](C)(CCCCO[C@@H](C)C(F)(F)F)C(N)=O ZINC000090674197 180021875 /nfs/dbraw/zinc/02/18/75/180021875.db2.gz RHGOYFOTEXLRSM-CMPLNLGQSA-N 1 0 298.349 2.368 10 0 CEAERO CCCCOCC[NH2+]CCO[C@H](C)C(F)(F)F ZINC000090675809 180022241 /nfs/dbraw/zinc/02/22/41/180022241.db2.gz XBVKGAKRJZCQLP-SNVBAGLBSA-N 1 0 257.296 2.360 10 0 CEAERO CCC[NH2+][C@](CO)(CO[C@@H](C)C(F)(F)F)C1CC1 ZINC000090675971 180022643 /nfs/dbraw/zinc/02/26/43/180022643.db2.gz FFQVXAQWFMPPTG-GXSJLCMTSA-N 1 0 269.307 2.095 10 0 CEAERO Cc1cnc(N2CC[C@H]([NH+]3CCCCC3)C2)c(N)c1 ZINC000090691279 180024734 /nfs/dbraw/zinc/02/47/34/180024734.db2.gz SDVWSKZMPBRJKD-ZDUSSCGKSA-N 1 0 260.385 2.037 10 0 CEAERO COC(=O)c1cc(N2CC[NH2+]Cc3ccccc32)ccn1 ZINC000090738979 180034871 /nfs/dbraw/zinc/03/48/71/180034871.db2.gz RTAJDXCCXSBYHY-UHFFFAOYSA-N 1 0 283.331 2.110 10 0 CEAERO C[C@H]([NH3+])c1nc(-c2nc3cnccc3n2C)cs1 ZINC000090934794 180067543 /nfs/dbraw/zinc/06/75/43/180067543.db2.gz XWKCCANMVBGSAX-ZETCQYMHSA-N 1 0 259.338 2.112 10 0 CEAERO CCCN(c1ncncc1Br)[C@H]1CCC[NH2+]C1 ZINC000090781735 180038445 /nfs/dbraw/zinc/03/84/45/180038445.db2.gz GWZRDKNLQKVXPM-JTQLQIEISA-N 1 0 299.216 2.208 10 0 CEAERO CCCOc1cc(Nc2cccc(C[NH3+])c2)ncn1 ZINC000090785700 180040258 /nfs/dbraw/zinc/04/02/58/180040258.db2.gz HTGQFBKOXSZWNN-UHFFFAOYSA-N 1 0 258.325 2.468 10 0 CEAERO CCOc1cc(Nc2cccc(OCC[NH3+])c2)nc(C)n1 ZINC000090787850 180041179 /nfs/dbraw/zinc/04/11/79/180041179.db2.gz JOTWXXXRXOBWNW-UHFFFAOYSA-N 1 0 288.351 2.265 10 0 CEAERO CCOc1cc(NC[C@H]2CCCC[C@@H]2[NH3+])nc(C)n1 ZINC000090788414 180041267 /nfs/dbraw/zinc/04/12/67/180041267.db2.gz AFBYOMYFFZRQQV-NEPJUHHUSA-N 1 0 264.373 2.113 10 0 CEAERO CCOc1cc(N[C@H]2CCCC[C@H]2C[NH3+])nc(C)n1 ZINC000090787963 180041410 /nfs/dbraw/zinc/04/14/10/180041410.db2.gz KAZUKYHANWVZOX-RYUDHWBXSA-N 1 0 264.373 2.113 10 0 CEAERO COc1ccc([C@H](C)[NH2+]C[C@H](C)[S@](C)=O)cc1OC ZINC000090841341 180043612 /nfs/dbraw/zinc/04/36/12/180043612.db2.gz FQWTWBYGKNETHS-ZHYXMNDGSA-N 1 0 285.409 2.121 10 0 CEAERO CC[C@H](Cc1ccccc1)[NH2+]C[C@H](C)[S@](C)=O ZINC000090841252 180043836 /nfs/dbraw/zinc/04/38/36/180043836.db2.gz ZNLXUBLKVBJJAA-DXCKQFNASA-N 1 0 253.411 2.364 10 0 CEAERO CC[NH2+]Cc1cccc(S[C@H]2CCN(C)C2=O)c1 ZINC000090871044 180049206 /nfs/dbraw/zinc/04/92/06/180049206.db2.gz NUQIPRQNGVFFFN-ZDUSSCGKSA-N 1 0 264.394 2.119 10 0 CEAERO COCC[NH2+]Cc1cccc(SCC(C)(C)O)c1 ZINC000090873217 180049962 /nfs/dbraw/zinc/04/99/62/180049962.db2.gz NGKHAIJCNDQFOS-UHFFFAOYSA-N 1 0 269.410 2.286 10 0 CEAERO CC[NH2+]Cc1cccc(S[C@H]2CCS(=O)(=O)C2)c1 ZINC000090871367 180050306 /nfs/dbraw/zinc/05/03/06/180050306.db2.gz HDCAIOBBCYTVRM-ZDUSSCGKSA-N 1 0 285.434 2.075 10 0 CEAERO COCC[NH2+]CC1(C[C@@H]2Cc3ccccc3O2)CC1 ZINC000090877390 180051840 /nfs/dbraw/zinc/05/18/40/180051840.db2.gz GNMLMFKOIGBTKD-AWEZNQCLSA-N 1 0 261.365 2.396 10 0 CEAERO OCC[N@H+](C[C@@H]1Cc2ccccc2O1)C1CCCC1 ZINC000090876819 180051913 /nfs/dbraw/zinc/05/19/13/180051913.db2.gz KZZLBNHJYDGGQS-HNNXBMFYSA-N 1 0 261.365 2.227 10 0 CEAERO CCC[NH2+]Cc1cnn(C[C@@H]2Cc3ccccc3O2)c1 ZINC000090877764 180052175 /nfs/dbraw/zinc/05/21/75/180052175.db2.gz MMQGESDFIPBQOC-HNNXBMFYSA-N 1 0 271.364 2.386 10 0 CEAERO Cc1c(C[NH2+]C2CC2)cnn1C[C@H]1Cc2ccccc2O1 ZINC000090877749 180052359 /nfs/dbraw/zinc/05/23/59/180052359.db2.gz POXRQBJDOVSPGE-MRXNPFEDSA-N 1 0 283.375 2.447 10 0 CEAERO CC[NH2+]Cc1cnc(C)n1C[C@@H]1Cc2ccccc2O1 ZINC000090877812 180052427 /nfs/dbraw/zinc/05/24/27/180052427.db2.gz UQDXLWJFHJWBPJ-HNNXBMFYSA-N 1 0 271.364 2.305 10 0 CEAERO CCOC[C@H](C)[NH2+]C[C@H]1Cc2cc(F)ccc2O1 ZINC000090892570 180054656 /nfs/dbraw/zinc/05/46/56/180054656.db2.gz OOCNVLUOONUTPD-GXFFZTMASA-N 1 0 253.317 2.144 10 0 CEAERO Cc1cnc(C[NH2+]C[C@@H]2Cc3cc(F)ccc3O2)cn1 ZINC000090892725 180055044 /nfs/dbraw/zinc/05/50/44/180055044.db2.gz KAOIGPZCBQXKOQ-AWEZNQCLSA-N 1 0 273.311 2.017 10 0 CEAERO CN(CC[NH2+]C(C)(C)C)C[C@H]1Cc2cc(F)ccc2O1 ZINC000090893534 180055169 /nfs/dbraw/zinc/05/51/69/180055169.db2.gz WHMQSVGFTPJZGC-CQSZACIVSA-N 1 0 280.387 2.449 10 0 CEAERO Cc1cc(C[NH2+]C[C@H]2Cc3cc(F)ccc3O2)no1 ZINC000090892572 180055290 /nfs/dbraw/zinc/05/52/90/180055290.db2.gz MDOZOCMAVXQRSQ-CYBMUJFWSA-N 1 0 262.284 2.215 10 0 CEAERO CC[C@@H](COC)[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892874 180055479 /nfs/dbraw/zinc/05/54/79/180055479.db2.gz CIGUKMOTGJARRD-STQMWFEESA-N 1 0 253.317 2.144 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[NH2+]CC(C)(C)N(C)C)O2 ZINC000090897778 180057077 /nfs/dbraw/zinc/05/70/77/180057077.db2.gz KKOHSEZYZUTMSD-CQSZACIVSA-N 1 0 262.397 2.228 10 0 CEAERO Fc1ccc2c(c1)C[C@@H](CN1CC[NH2+]CC13CCCC3)O2 ZINC000090896138 180057215 /nfs/dbraw/zinc/05/72/15/180057215.db2.gz GJBNQQLQGSATJC-HNNXBMFYSA-N 1 0 290.382 2.347 10 0 CEAERO CCN(CC)CC[NH2+]C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090897170 180057394 /nfs/dbraw/zinc/05/73/94/180057394.db2.gz QSJOYSHYXFHVJI-HNNXBMFYSA-N 1 0 262.397 2.230 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](COC[C@H]1CCC[NH2+]C1)O2 ZINC000090899118 180057959 /nfs/dbraw/zinc/05/79/59/180057959.db2.gz GQSYQLIKAWNPQF-ZFWWWQNUSA-N 1 0 261.365 2.315 10 0 CEAERO Cc1ccc2c(c1)C[C@H](CO[C@H]1CCC[C@@H]1C[NH3+])O2 ZINC000090899169 180058228 /nfs/dbraw/zinc/05/82/28/180058228.db2.gz VSFDMNUZPRHOCV-YUELXQCFSA-N 1 0 261.365 2.443 10 0 CEAERO [NH3+]C1CCN(C[C@@H]2Cc3cc(Cl)ccc3O2)CC1 ZINC000090900026 180059155 /nfs/dbraw/zinc/05/91/55/180059155.db2.gz ZEECPTUVBWRXNR-ZDUSSCGKSA-N 1 0 266.772 2.067 10 0 CEAERO CCOCC[NH2+]C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090903647 180059955 /nfs/dbraw/zinc/05/99/55/180059955.db2.gz XCEASJNKDKKZMO-LBPRGKRZSA-N 1 0 255.745 2.270 10 0 CEAERO C[C@H](C[NH2+]C[C@H]1Cc2cc(Cl)ccc2O1)N(C)C ZINC000090904432 180060053 /nfs/dbraw/zinc/06/00/53/180060053.db2.gz DXYUCPMPOYSIRW-ZWNOBZJWSA-N 1 0 268.788 2.183 10 0 CEAERO [NH3+]C[C@H](c1ccccc1Cl)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905577 180060239 /nfs/dbraw/zinc/06/02/39/180060239.db2.gz DCLDQGSYQMLYSC-UHIISALHSA-N 1 0 266.772 2.203 10 0 CEAERO Cn1nccc1C[NH2+]C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090904783 180060359 /nfs/dbraw/zinc/06/03/59/180060359.db2.gz DIONRJUDRNAPDI-ZDUSSCGKSA-N 1 0 277.755 2.167 10 0 CEAERO COC[C@@H](C)[NH2+]C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090903100 180060424 /nfs/dbraw/zinc/06/04/24/180060424.db2.gz VFORAHGLLWKKEZ-SKDRFNHKSA-N 1 0 255.745 2.268 10 0 CEAERO CC(C)C[NH2+]CC(C)(C)CN1C[C@H]2CC[C@@H](C1)O2 ZINC000090907503 180061841 /nfs/dbraw/zinc/06/18/41/180061841.db2.gz ALODUKPNVJJWFQ-OKILXGFUSA-N 1 0 254.418 2.121 10 0 CEAERO CCCC1CCN(C(=O)c2csc(CC[NH3+])n2)CC1 ZINC000090953636 180073787 /nfs/dbraw/zinc/07/37/87/180073787.db2.gz HYLWQOQVBNGIFS-UHFFFAOYSA-N 1 0 281.425 2.297 10 0 CEAERO C[C@@H]([NH3+])c1nc(CN2C[C@@H](C)S[C@@H](C)C2)cs1 ZINC000090958702 180075117 /nfs/dbraw/zinc/07/51/17/180075117.db2.gz VVBSAUDBBQZKPJ-KXUCPTDWSA-N 1 0 271.455 2.489 10 0 CEAERO CC(=O)Nc1ccsc1CNC[C@H]1CCC[N@@H+](C)C1 ZINC000090960504 180075492 /nfs/dbraw/zinc/07/54/92/180075492.db2.gz JNOQTSMGAPBOPW-GFCCVEGCSA-N 1 0 281.425 2.138 10 0 CEAERO C[C@H]([NH2+]Cc1sccc1N)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000090960126 180075689 /nfs/dbraw/zinc/07/56/89/180075689.db2.gz ZFKWXHDZPVPNQM-QMMMGPOBSA-N 1 0 288.376 2.351 10 0 CEAERO CC(C)C[C@H](C[NH2+]Cc1ccccc1N)N1CCOCC1 ZINC000090961281 180076178 /nfs/dbraw/zinc/07/61/78/180076178.db2.gz PNGFRZPHCOLFFY-MRXNPFEDSA-N 1 0 291.439 2.105 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+]C[C@H]1CCC[C@H]1CO ZINC000090960900 180076403 /nfs/dbraw/zinc/07/64/03/180076403.db2.gz DNPBTHVWZFGEER-NEPJUHHUSA-N 1 0 282.409 2.205 10 0 CEAERO CC(C)[NH2+]Cc1ncnn1C[C@@H]1Cc2ccccc21 ZINC000090981604 180079013 /nfs/dbraw/zinc/07/90/13/180079013.db2.gz WMKAEKGDPSWIOG-ZDUSSCGKSA-N 1 0 256.353 2.116 10 0 CEAERO CC(=O)Nc1ccccc1C[NH2+]C[C@H]1CCC[C@@H]1CO ZINC000090975354 180079034 /nfs/dbraw/zinc/07/90/34/180079034.db2.gz HCVDNFWMFNJHKM-UKRRQHHQSA-N 1 0 276.380 2.143 10 0 CEAERO [NH3+]CCc1ccc(NC(=O)[C@@H]2Cc3ccccc32)cc1 ZINC000090982644 180079463 /nfs/dbraw/zinc/07/94/63/180079463.db2.gz OTUJYSUCGRMSHZ-MRXNPFEDSA-N 1 0 266.344 2.466 10 0 CEAERO [NH3+][C@H](c1ccc2[nH]c(=O)oc2c1)[C@@H]1Cc2ccccc21 ZINC000090983887 180079946 /nfs/dbraw/zinc/07/99/46/180079946.db2.gz VXUJDTPJTQSXSD-IUODEOHRSA-N 1 0 266.300 2.461 10 0 CEAERO [NH3+][C@@H](c1ccc2c(c1)C(=O)NCC2)[C@H]1Cc2ccccc21 ZINC000090984380 180080422 /nfs/dbraw/zinc/08/04/22/180080422.db2.gz JDOJDSGTDOBQCE-IRXDYDNUSA-N 1 0 278.355 2.312 10 0 CEAERO O=C([C@@H]1Cc2ccccc21)N1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000090983777 180080428 /nfs/dbraw/zinc/08/04/28/180080428.db2.gz YSGDSDPSSVMWED-DJIMGWMZSA-N 1 0 284.403 2.317 10 0 CEAERO CC(C)[NH2+][C@@H]1CCCN(C[C@@H]2Cc3ccccc32)C1=O ZINC000090993393 180081915 /nfs/dbraw/zinc/08/19/15/180081915.db2.gz GGJTWEYUPWETBU-GOEBONIOSA-N 1 0 272.392 2.315 10 0 CEAERO CCn1cncc1Cn1cc(C[NH3+])c2ccccc21 ZINC000090995075 180082685 /nfs/dbraw/zinc/08/26/85/180082685.db2.gz UPGZCTXFBHLXEJ-UHFFFAOYSA-N 1 0 254.337 2.365 10 0 CEAERO C[NH2+]Cc1cccn1Cc1ncc(C)c(OC)c1C ZINC000090995689 180082932 /nfs/dbraw/zinc/08/29/32/180082932.db2.gz ZCQKPMHKSKPURT-UHFFFAOYSA-N 1 0 259.353 2.276 10 0 CEAERO CCC[NH2+]Cc1cccn1CC(=O)N1CCCCCC1 ZINC000090996142 180083523 /nfs/dbraw/zinc/08/35/23/180083523.db2.gz MYMBENGRLPCLRV-UHFFFAOYSA-N 1 0 277.412 2.390 10 0 CEAERO C[C@H]([NH3+])Cc1cn(Cc2ncccn2)c2ccccc12 ZINC000091005053 180084651 /nfs/dbraw/zinc/08/46/51/180084651.db2.gz UZZYGFGRHJRMAI-LBPRGKRZSA-N 1 0 266.348 2.369 10 0 CEAERO CCc1nn(C)c(Cn2cccc2C[C@@H](C)[NH3+])c1Cl ZINC000091005349 180084680 /nfs/dbraw/zinc/08/46/80/180084680.db2.gz AGZPTGIOPPDALF-SNVBAGLBSA-N 1 0 280.803 2.375 10 0 CEAERO [NH3+]Cc1cn(CCc2ccncc2)c2ncccc12 ZINC000091018883 180086855 /nfs/dbraw/zinc/08/68/55/180086855.db2.gz SUDWBIQQLSCBQA-UHFFFAOYSA-N 1 0 252.321 2.133 10 0 CEAERO [NH3+]Cc1cn(CC(=O)Nc2ccccc2)c2ncccc12 ZINC000091018555 180087110 /nfs/dbraw/zinc/08/71/10/180087110.db2.gz YEDUHRLKVSBHAQ-UHFFFAOYSA-N 1 0 280.331 2.134 10 0 CEAERO OC[C@H]([NH2+]Cc1c[nH]c2ncccc12)c1ccccc1 ZINC000091018380 180087250 /nfs/dbraw/zinc/08/72/50/180087250.db2.gz FEIRLFKAKMFPBQ-HNNXBMFYSA-N 1 0 267.332 2.386 10 0 CEAERO Cc1cc(Cn2cc(C[C@H](C)[NH3+])c3cccnc32)n(C)n1 ZINC000091021815 180088633 /nfs/dbraw/zinc/08/86/33/180088633.db2.gz LYERKDSHGWOZKV-NSHDSACASA-N 1 0 283.379 2.016 10 0 CEAERO C[C@H]([NH3+])Cc1cn(Cc2ccccn2)c2ncccc12 ZINC000091021832 180088688 /nfs/dbraw/zinc/08/86/88/180088688.db2.gz DLUCZVXLUGFSDN-LBPRGKRZSA-N 1 0 266.348 2.369 10 0 CEAERO C[C@@H]1CCC[C@H](OC(=O)c2csc(CC[NH3+])n2)C1 ZINC000090939811 180068381 /nfs/dbraw/zinc/06/83/81/180068381.db2.gz NLWWPNUOJKMUMV-ZJUUUORDSA-N 1 0 268.382 2.380 10 0 CEAERO CC(C)(C)Cc1noc(-c2csc(CC[NH3+])n2)n1 ZINC000090939082 180068424 /nfs/dbraw/zinc/06/84/24/180068424.db2.gz JVGNGXRVEWLUOI-UHFFFAOYSA-N 1 0 266.370 2.283 10 0 CEAERO Fc1cc2nc(C[C@H]3CSCC[NH2+]3)[nH]c2cc1F ZINC000091128495 180100589 /nfs/dbraw/zinc/10/05/89/180100589.db2.gz SMVFCFKEDUPLPI-ZETCQYMHSA-N 1 0 269.320 2.089 10 0 CEAERO C[C@@H](NC(=O)C[C@@H]1CSCC[NH2+]1)c1cccc(F)c1 ZINC000091138104 180105566 /nfs/dbraw/zinc/10/55/66/180105566.db2.gz ZXTNPSVTVDGOSY-ZWNOBZJWSA-N 1 0 282.384 2.098 10 0 CEAERO CCNC(=O)C[C@@H](C[NH3+])N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000091316426 180133405 /nfs/dbraw/zinc/13/34/05/180133405.db2.gz YOJCDOXQDUDBKE-FZMZJTMJSA-N 1 0 297.830 2.186 10 0 CEAERO CCCNC(=O)C[C@@H](C[NH3+])N1CCC2(CCCCC2)CC1 ZINC000091317507 180133980 /nfs/dbraw/zinc/13/39/80/180133980.db2.gz KTCGGNFNBBWLFF-HNNXBMFYSA-N 1 0 295.471 2.276 10 0 CEAERO CC(C)(C)NC(=O)C[C@@H](C[NH3+])Nc1cccc(Cl)c1 ZINC000091321788 180134323 /nfs/dbraw/zinc/13/43/23/180134323.db2.gz QFCMSKZDTHVEEK-LBPRGKRZSA-N 1 0 283.803 2.384 10 0 CEAERO CC(C)C[N@H+](C(C)C)[C@H](CN)CC(=O)N1CCCCC1 ZINC000091325340 180135179 /nfs/dbraw/zinc/13/51/79/180135179.db2.gz YUEVMOJVICIIOB-HNNXBMFYSA-N 1 0 283.460 2.083 10 0 CEAERO CC(C)OCC[C@@](C[NH3+])(c1ccccc1)[C@@H](C)O ZINC000091327700 180135856 /nfs/dbraw/zinc/13/58/56/180135856.db2.gz PUVQFMCHBLSBPN-HIFRSBDPSA-N 1 0 251.370 2.079 10 0 CEAERO CC[C@@H](C)n1ncc(C[NH2+]CCOC)c1C1CC1 ZINC000091337832 180136175 /nfs/dbraw/zinc/13/61/75/180136175.db2.gz GFJOSGKUKHXWEO-LLVKDONJSA-N 1 0 251.374 2.468 10 0 CEAERO COc1ccccc1[C@@H](C[NH3+])S[C@@H](C)CCO ZINC000091262577 180116591 /nfs/dbraw/zinc/11/65/91/180116591.db2.gz MSSOAUWPYXYYLU-GXFFZTMASA-N 1 0 255.383 2.199 10 0 CEAERO Cc1nn(C)c(S[C@H](C)CCO)c1C[NH2+]CC(C)C ZINC000091268215 180117259 /nfs/dbraw/zinc/11/72/59/180117259.db2.gz KIGJRTOLHUPNKV-LLVKDONJSA-N 1 0 285.457 2.337 10 0 CEAERO CC1(C)CCCN([C@H](C[NH3+])c2cncn2C2CC2)C1 ZINC000091276592 180120210 /nfs/dbraw/zinc/12/02/10/180120210.db2.gz SEGJXHUIWXCDKI-CYBMUJFWSA-N 1 0 262.401 2.340 10 0 CEAERO CN(Cc1ccsc1)[C@@H](C[NH3+])c1cncn1C1CC1 ZINC000091276251 180120346 /nfs/dbraw/zinc/12/03/46/180120346.db2.gz DPDSCSPROPXMBN-ZDUSSCGKSA-N 1 0 276.409 2.411 10 0 CEAERO CC[C@H](NC(=O)C[C@@H]1CSCC[NH2+]1)c1ccccc1 ZINC000091290942 180122983 /nfs/dbraw/zinc/12/29/83/180122983.db2.gz GOVAGWJZIPKFCR-KGLIPLIRSA-N 1 0 278.421 2.349 10 0 CEAERO Cc1csc([C@H](C)NCC[C@H]2CSCC[NH2+]2)n1 ZINC000091292347 180123725 /nfs/dbraw/zinc/12/37/25/180123725.db2.gz SSPUBOWCWVRIFC-QWRGUYRKSA-N 1 0 271.455 2.197 10 0 CEAERO CCC1CCC(c2noc(C[C@@H]3C[NH2+]CCO3)n2)CC1 ZINC000091295181 180124903 /nfs/dbraw/zinc/12/49/03/180124903.db2.gz NIOBZNZPKLQKAC-WXRRBKDZSA-N 1 0 279.384 2.284 10 0 CEAERO CCc1cccc(CC)c1NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000091298917 180125456 /nfs/dbraw/zinc/12/54/56/180125456.db2.gz JZAHGEPTKYSKAQ-AWEZNQCLSA-N 1 0 276.380 2.128 10 0 CEAERO CC[C@H]1CCc2nc([C@H]3C[NH2+]CCO3)sc2C1 ZINC000091501365 180174862 /nfs/dbraw/zinc/17/48/62/180174862.db2.gz GICMNZPRZMIHIN-GXSJLCMTSA-N 1 0 252.383 2.319 10 0 CEAERO Cc1nc(N2CCC[C@H]([NH+](C)C)C2)sc1[C@@H](C)O ZINC000091431986 180153551 /nfs/dbraw/zinc/15/35/51/180153551.db2.gz MUEMCOFVYAGPCY-MNOVXSKESA-N 1 0 269.414 2.035 10 0 CEAERO CCOc1cc2c(cc1C[NH2+]C1CC(O)C1)O[C@H](C)C2 ZINC000091432155 180153622 /nfs/dbraw/zinc/15/36/22/180153622.db2.gz PEYAKJMNWFVXHC-GWMXKSKGSA-N 1 0 277.364 2.022 10 0 CEAERO COc1ccc([C@H](O)[C@@H](C)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091431195 180153712 /nfs/dbraw/zinc/15/37/12/180153712.db2.gz CYPMCIBSPLUPHE-UKPHBRMFSA-N 1 0 292.423 2.143 10 0 CEAERO C[NH+](C)[C@H]1CCCN(c2nc(C(C)(C)C)c(CO)s2)C1 ZINC000091432981 180153795 /nfs/dbraw/zinc/15/37/95/180153795.db2.gz GZDAQSKSFBPTNU-NSHDSACASA-N 1 0 297.468 2.463 10 0 CEAERO CO[C@H]1CCC[C@H](Oc2cncc(C[NH2+]C(C)C)n2)C1 ZINC000091435422 180154401 /nfs/dbraw/zinc/15/44/01/180154401.db2.gz GBGROLFAGAKWNO-KBPBESRZSA-N 1 0 279.384 2.311 10 0 CEAERO C[N@@H+](Cc1c(N)cccc1Cl)CC1CC(O)C1 ZINC000091451657 180158636 /nfs/dbraw/zinc/15/86/36/180158636.db2.gz BTYKVJDWOMFNAI-UHFFFAOYSA-N 1 0 254.761 2.125 10 0 CEAERO O=C(c1ccncc1Cl)N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000091456854 180160119 /nfs/dbraw/zinc/16/01/19/180160119.db2.gz CSXAQAXRVIKCEC-QWHCGFSZSA-N 1 0 279.771 2.092 10 0 CEAERO CCn1nc(COC2CC(C[NH3+])C2)c2ccccc21 ZINC000091460814 180161536 /nfs/dbraw/zinc/16/15/36/180161536.db2.gz BPKBOUDUBVJRGC-UHFFFAOYSA-N 1 0 259.353 2.310 10 0 CEAERO CCn1nc(C)c(Cl)c1C[C@@H](O)C[NH2+]CC(C)C ZINC000091465973 180163641 /nfs/dbraw/zinc/16/36/41/180163641.db2.gz CEVNLJMIRGWGSO-LLVKDONJSA-N 1 0 273.808 2.014 10 0 CEAERO COc1ccc([C@](C)(O)CC[NH2+]C(C)C)cc1F ZINC000091467209 180164448 /nfs/dbraw/zinc/16/44/48/180164448.db2.gz JPFXSHKOLBWVMQ-CQSZACIVSA-N 1 0 255.333 2.430 10 0 CEAERO CC[C@@H](C)n1ccc(C[C@H](O)C[NH2+]CC(C)C)n1 ZINC000091467862 180164460 /nfs/dbraw/zinc/16/44/60/180164460.db2.gz ZFCYUQCWPINZSF-OCCSQVGLSA-N 1 0 253.390 2.003 10 0 CEAERO CCC[NH2+]CC[C@](C)(O)Cc1c(Cl)c(C)nn1C ZINC000091469645 180164933 /nfs/dbraw/zinc/16/49/33/180164933.db2.gz UCVMMOGKYSHMDB-ZDUSSCGKSA-N 1 0 273.808 2.065 10 0 CEAERO CN(CC1CC([NH3+])C1)C(=O)c1cccc2cccnc21 ZINC000091471568 180165163 /nfs/dbraw/zinc/16/51/63/180165163.db2.gz VRRHCYLBIILGFL-UHFFFAOYSA-N 1 0 269.348 2.044 10 0 CEAERO C[NH2+]CC1CC(OCc2ccc(OC)c(F)c2)C1 ZINC000091472432 180165425 /nfs/dbraw/zinc/16/54/25/180165425.db2.gz JQDJBCBKVQNUCN-UHFFFAOYSA-N 1 0 253.317 2.349 10 0 CEAERO Cc1ccc(C(F)(F)F)cc1N1CC[C@H]([NH3+])C1=O ZINC000091480197 180166788 /nfs/dbraw/zinc/16/67/88/180166788.db2.gz ORUDKKCKGYLVLZ-VIFPVBQESA-N 1 0 258.243 2.078 10 0 CEAERO CCOc1ccccc1OCC[N@H+](C)CC1CC(O)C1 ZINC000091489876 180168765 /nfs/dbraw/zinc/16/87/65/180168765.db2.gz MAEYEVJONBUIEX-UHFFFAOYSA-N 1 0 279.380 2.167 10 0 CEAERO C[N@H+](CC[C@@H](O)c1ccc(Cl)cc1)CC1CC(O)C1 ZINC000091489805 180169429 /nfs/dbraw/zinc/16/94/29/180169429.db2.gz ARJIJIIKSHTMLC-WDIPEOLASA-N 1 0 283.799 2.466 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)Nc1ccc(F)cc1F ZINC000091496758 180172422 /nfs/dbraw/zinc/17/24/22/180172422.db2.gz VUONUYYDHFNZAR-KCJUWKMLSA-N 1 0 269.295 2.227 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccc(C)cn1)C(C)(C)S(C)(=O)=O ZINC000091386208 180144103 /nfs/dbraw/zinc/14/41/03/180144103.db2.gz NPRALWLWJAMCEN-AWEZNQCLSA-N 1 0 298.452 2.124 10 0 CEAERO C[C@@H]1CCC[C@](CNCc2cnco2)([NH+](C)C)C1 ZINC000091409163 180148371 /nfs/dbraw/zinc/14/83/71/180148371.db2.gz WYCMIPWJIFUOOB-OCCSQVGLSA-N 1 0 251.374 2.275 10 0 CEAERO C[C@H](NC(=O)C1C[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000091415037 180148959 /nfs/dbraw/zinc/14/89/59/180148959.db2.gz TVAKZUWYXTVLNW-ZETCQYMHSA-N 1 0 273.163 2.390 10 0 CEAERO O=C1CC2(CN1Cc1cccc(F)c1F)CC[NH2+]CC2 ZINC000091415254 180149754 /nfs/dbraw/zinc/14/97/54/180149754.db2.gz IGLXOGCHFIZJBI-UHFFFAOYSA-N 1 0 280.318 2.067 10 0 CEAERO CC[NH2+]Cc1cncc(N(CC(F)(F)F)C(C)C)n1 ZINC000091419755 180150550 /nfs/dbraw/zinc/15/05/50/180150550.db2.gz HCMULGLOJRZHFV-UHFFFAOYSA-N 1 0 276.306 2.363 10 0 CEAERO CCN(c1cncc(C[NH2+]C(C)(C)C)n1)[C@@H](C)COC ZINC000091419851 180150752 /nfs/dbraw/zinc/15/07/52/180150752.db2.gz JJQHJROKQYCCIM-LBPRGKRZSA-N 1 0 280.416 2.226 10 0 CEAERO Cc1ccccc1CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105085746 186040459 /nfs/dbraw/zinc/04/04/59/186040459.db2.gz MECPZDPJDJVWNN-MRXNPFEDSA-N 1 0 287.407 2.375 10 0 CEAERO CCn1cc(C[C@@H]([NH2+]C)C(C)(C)N2CCCCC2)cn1 ZINC000091564791 180193449 /nfs/dbraw/zinc/19/34/49/180193449.db2.gz LXVUATOKZKFTJH-OAHLLOKOSA-N 1 0 278.444 2.298 10 0 CEAERO CC[NH2+][C@@H](Cc1cnn(C)c1)C(C)(C)N1CCCCC1 ZINC000091565098 180193751 /nfs/dbraw/zinc/19/37/51/180193751.db2.gz YOMSDGJMIIYKRL-HNNXBMFYSA-N 1 0 278.444 2.205 10 0 CEAERO CC(C)([C@H]([NH3+])CCc1cccs1)N1CCOCC1 ZINC000091566189 180193917 /nfs/dbraw/zinc/19/39/17/180193917.db2.gz XBXUVRONPRBYKI-CYBMUJFWSA-N 1 0 268.426 2.119 10 0 CEAERO C[NH2+][C@H](Cc1ccc(F)cc1F)C(C)(C)N1CCOCC1 ZINC000091566700 180193929 /nfs/dbraw/zinc/19/39/29/180193929.db2.gz XQNVCFMNVKZBHA-OAHLLOKOSA-N 1 0 298.377 2.206 10 0 CEAERO COc1ccc(Cl)cc1[C@H]([NH3+])C(C)(C)N1CCOCC1 ZINC000091566312 180194043 /nfs/dbraw/zinc/19/40/43/180194043.db2.gz RNQVRPAYITXRPM-AWEZNQCLSA-N 1 0 298.814 2.459 10 0 CEAERO C[NH2+][C@@H](C1CCCCC1)C(C)(C)N1CCOCC1 ZINC000091566579 180194223 /nfs/dbraw/zinc/19/42/23/180194223.db2.gz HKCTUQCHWFEKAL-AWEZNQCLSA-N 1 0 254.418 2.266 10 0 CEAERO CCCn1ncnc1C[C@H](N)C(C)(C)[NH+]1CCCCCC1 ZINC000091568045 180194871 /nfs/dbraw/zinc/19/48/71/180194871.db2.gz VCDMKMIZOSUABT-AWEZNQCLSA-N 1 0 293.459 2.213 10 0 CEAERO C[NH2+][C@H](Cc1ccnc(N)c1)C(C)(C)N1CCCCCC1 ZINC000091568147 180194903 /nfs/dbraw/zinc/19/49/03/180194903.db2.gz CALJTIMCOSPZNM-OAHLLOKOSA-N 1 0 290.455 2.449 10 0 CEAERO C[NH2+][C@H](c1ccc(OC)c(F)c1)C(C)(C)N1CCOCC1 ZINC000091566746 180194936 /nfs/dbraw/zinc/19/49/36/180194936.db2.gz UKHDFTWTICUDEC-OAHLLOKOSA-N 1 0 296.386 2.206 10 0 CEAERO CC[C@](C)(C(=O)Cc1nn(C)c2ccccc12)[NH+](C)C ZINC000091568675 180194985 /nfs/dbraw/zinc/19/49/85/180194985.db2.gz LYLWQFWTUUSIOC-MRXNPFEDSA-N 1 0 273.380 2.415 10 0 CEAERO C[NH2+][C@@H](Cc1cccnc1N)C(C)(C)N1CCCCCC1 ZINC000091568201 180195119 /nfs/dbraw/zinc/19/51/19/180195119.db2.gz LQBHZNLIZHAUJI-HNNXBMFYSA-N 1 0 290.455 2.449 10 0 CEAERO CCc1nn(C)c(C[C@@H](N)[C@@](C)(CC)[NH+](C)C)c1Cl ZINC000091569785 180195476 /nfs/dbraw/zinc/19/54/76/180195476.db2.gz RUMSPCWBHPXYBE-TZMCWYRMSA-N 1 0 286.851 2.236 10 0 CEAERO CC[C@](C)([C@@H](O)Cc1ccc(OC)c(F)c1)[NH+](C)C ZINC000091569435 180195794 /nfs/dbraw/zinc/19/57/94/180195794.db2.gz KFWHGRUADZLVCW-LSDHHAIUSA-N 1 0 269.360 2.468 10 0 CEAERO CCC[NH2+][C@H](Cc1ncnn1CCC)[C@](C)(CC)N(C)C ZINC000091572203 180196361 /nfs/dbraw/zinc/19/63/61/180196361.db2.gz QGLHIAVRJJSVIB-ZBFHGGJFSA-N 1 0 295.475 2.329 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@H](O)Cc1ccncc1 ZINC000091573320 180196411 /nfs/dbraw/zinc/19/64/11/180196411.db2.gz ANNAHJGJMXYIPZ-CABCVRRESA-N 1 0 250.386 2.496 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CNc1c(N)c(C(C)C)nn1C ZINC000091576882 180197841 /nfs/dbraw/zinc/19/78/41/180197841.db2.gz AEUIRJMTLUHQNA-NSHDSACASA-N 1 0 265.405 2.022 10 0 CEAERO O=C(NC(C1CC1)C1CC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105101936 186042219 /nfs/dbraw/zinc/04/22/19/186042219.db2.gz CUMQRSWNMUHZIG-AWEZNQCLSA-N 1 0 277.412 2.055 10 0 CEAERO CCC[NH+]1CCC(Nc2c(N)c(C(C)C)nn2C)CC1 ZINC000091580873 180199217 /nfs/dbraw/zinc/19/92/17/180199217.db2.gz JOQSFGMNTIFYSR-UHFFFAOYSA-N 1 0 279.432 2.412 10 0 CEAERO CCn1cc([C@H](O)[C@@](C)(CC)[NH+]2CCCC2)cn1 ZINC000091602757 180203242 /nfs/dbraw/zinc/20/32/42/180203242.db2.gz JBRPNUDFZQIQOG-UONOGXRCSA-N 1 0 251.374 2.201 10 0 CEAERO CC[C@@](C)([C@H](Cc1cccnc1N)[NH2+]C)N1CCCCC1 ZINC000091609747 180205975 /nfs/dbraw/zinc/20/59/75/180205975.db2.gz LHRNBRIKZZXRPL-RDJZCZTQSA-N 1 0 290.455 2.449 10 0 CEAERO CC[C@](C)([C@H]([NH3+])CC1CCCC1)N1CCOCC1 ZINC000091611610 180206195 /nfs/dbraw/zinc/20/61/95/180206195.db2.gz WLNAXGONAZTIPD-HUUCEWRRSA-N 1 0 254.418 2.395 10 0 CEAERO CC[C@@](C)([C@@H]([NH3+])c1c(F)cccc1F)N1CCOCC1 ZINC000091611811 180206810 /nfs/dbraw/zinc/20/68/10/180206810.db2.gz RKMVUOAECPLGKZ-GJZGRUSLSA-N 1 0 284.350 2.466 10 0 CEAERO CCCn1ccnc1[C@@H]([NH2+]C)[C@@](C)(CC)N1CCOCC1 ZINC000091612658 180207107 /nfs/dbraw/zinc/20/71/07/180207107.db2.gz MWPNYWNQCQKSRQ-GDBMZVCRSA-N 1 0 294.443 2.055 10 0 CEAERO CC[C@@](C)([C@@H]([NH3+])c1cccs1)N1CCOCC1 ZINC000091612183 180207133 /nfs/dbraw/zinc/20/71/33/180207133.db2.gz TUNOHQVMVMJZHB-STQMWFEESA-N 1 0 254.399 2.249 10 0 CEAERO CC[C@](C)([C@@H]([NH2+]C)c1cccc(OC)c1)N1CCOCC1 ZINC000091612328 180207287 /nfs/dbraw/zinc/20/72/87/180207287.db2.gz OZKYRICBCGBZQM-DLBZAZTESA-N 1 0 292.423 2.457 10 0 CEAERO CC[NH2+][C@@H](Cc1ccccn1)[C@](C)(CC)N1CCOCC1 ZINC000091612779 180207411 /nfs/dbraw/zinc/20/74/11/180207411.db2.gz HYZJOVXVJSFICE-IRXDYDNUSA-N 1 0 291.439 2.103 10 0 CEAERO CCC(CC)([C@@H](N)c1cc(C)cnc1N)[NH+](C)C ZINC000091613938 180207851 /nfs/dbraw/zinc/20/78/51/180207851.db2.gz RDWZVGSLENVVLY-LBPRGKRZSA-N 1 0 250.390 2.092 10 0 CEAERO CCC(CC)([C@H](O)c1c(C)ccnc1N)[NH+](C)C ZINC000091613479 180208299 /nfs/dbraw/zinc/20/82/99/180208299.db2.gz RGIADMICQDHUJB-GFCCVEGCSA-N 1 0 251.374 2.126 10 0 CEAERO C[NH+](C)C(C)(C)[C@@H](O)CCc1ccc2c(c1)CCO2 ZINC000091528212 180179941 /nfs/dbraw/zinc/17/99/41/180179941.db2.gz CTNMRJWFIKYTFO-HNNXBMFYSA-N 1 0 263.381 2.255 10 0 CEAERO CC[NH2+][C@H](Cc1cc(C)nn1C)C(C)(C)N(CC)CC ZINC000091531605 180180249 /nfs/dbraw/zinc/18/02/49/180180249.db2.gz NGECLXHZDHSNDG-OAHLLOKOSA-N 1 0 280.460 2.370 10 0 CEAERO C[NH2+][C@H](Cc1cc(C)ccc1OC)C(C)(C)N(C)C ZINC000091528550 180180308 /nfs/dbraw/zinc/18/03/08/180180308.db2.gz MSCANVAXSKJOBI-OAHLLOKOSA-N 1 0 264.413 2.474 10 0 CEAERO C[NH2+][C@H](Cc1ccncc1Cl)C(C)(C)N(C)C ZINC000091528634 180180674 /nfs/dbraw/zinc/18/06/74/180180674.db2.gz XTQCRRSQDALLRV-GFCCVEGCSA-N 1 0 255.793 2.206 10 0 CEAERO [NH3+][C@@H]1CC[C@H](C(=O)Nc2c3nsnc3ccc2Cl)C1 ZINC000091542639 180184411 /nfs/dbraw/zinc/18/44/11/180184411.db2.gz QXYTZPIACCNBMU-NKWVEPMBSA-N 1 0 296.783 2.411 10 0 CEAERO CCOc1cc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)ccc1OC ZINC000091544061 180185053 /nfs/dbraw/zinc/18/50/53/180185053.db2.gz CPFQIOPKPFUDND-WDEREUQCSA-N 1 0 278.352 2.160 10 0 CEAERO CC[C@@H](C)N1C(=O)C[C@H]([NH2+]C2CCC(CC)CC2)C1=O ZINC000105025796 186038875 /nfs/dbraw/zinc/03/88/75/186038875.db2.gz XFIPBEVIXNROAZ-RYSNWHEDSA-N 1 0 280.412 2.471 10 0 CEAERO Cn1cc(CC(=O)C2([NH+]3CCCCC3)CCCC2)cn1 ZINC000091641435 180213259 /nfs/dbraw/zinc/21/32/59/180213259.db2.gz XZMALIKGMFXDPL-UHFFFAOYSA-N 1 0 275.396 2.330 10 0 CEAERO C[NH2+][C@H](Cc1cnn(C)c1)C1(N2CCCCC2)CCCC1 ZINC000091642110 180213502 /nfs/dbraw/zinc/21/35/02/180213502.db2.gz FODDSWROFIWPCY-MRXNPFEDSA-N 1 0 290.455 2.349 10 0 CEAERO [NH3+][C@H](c1cccs1)C1(N2CCOCC2)CCCC1 ZINC000091643092 180213892 /nfs/dbraw/zinc/21/38/92/180213892.db2.gz LVAYHZQQOYKGAB-CYBMUJFWSA-N 1 0 266.410 2.393 10 0 CEAERO O[C@@H](CCC1CC1)C1([NH+]2CCOCC2)CCCC1 ZINC000091642725 180213949 /nfs/dbraw/zinc/21/39/49/180213949.db2.gz OEUMDEMNCKHQDF-AWEZNQCLSA-N 1 0 253.386 2.183 10 0 CEAERO CC[C@H](C)C[C@@H]([NH3+])C1(N2CCOCC2)CCCC1 ZINC000091642845 180214308 /nfs/dbraw/zinc/21/43/08/180214308.db2.gz SLBOAXNBOXAJSS-UONOGXRCSA-N 1 0 254.418 2.395 10 0 CEAERO C[C@@H]1CCC[C@@](C(=O)Cc2cccnc2N)([NH+](C)C)C1 ZINC000091650479 180216102 /nfs/dbraw/zinc/21/61/02/180216102.db2.gz ZKEAFSRRUKHHLJ-MLGOLLRUSA-N 1 0 275.396 2.286 10 0 CEAERO CCc1cc(C[C@H](O)C2([NH+](C)C)CCC(C)CC2)n(C)n1 ZINC000091648461 180216115 /nfs/dbraw/zinc/21/61/15/180216115.db2.gz IRMDSNYOGGLWTR-PWZRNIHTSA-N 1 0 293.455 2.396 10 0 CEAERO C[C@H](C[NH+]1CCCC1)Nc1nc(Cl)ncc1F ZINC000091655362 180217137 /nfs/dbraw/zinc/21/71/37/180217137.db2.gz PUNHEAIWLYJERC-MRVPVSSYSA-N 1 0 258.728 2.165 10 0 CEAERO CN1CCO[C@H](C[NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC000091667750 180223436 /nfs/dbraw/zinc/22/34/36/180223436.db2.gz MSXDFGOKUKANEK-GRYCIOLGSA-N 1 0 280.334 2.028 10 0 CEAERO O=C(Cc1ccc2c(c1)CCC2)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091714106 180231684 /nfs/dbraw/zinc/23/16/84/180231684.db2.gz USCCGWUJCHFZND-SJLPKXTDSA-N 1 0 285.387 2.150 10 0 CEAERO CC[NH+](CC)CC[C@@H](N)c1cc(Cl)cnc1N ZINC000091715729 180232447 /nfs/dbraw/zinc/23/24/47/180232447.db2.gz RIDJPQSOSXXRHX-LLVKDONJSA-N 1 0 256.781 2.049 10 0 CEAERO CC(C)Oc1ccc([C@H](O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000091715664 180232677 /nfs/dbraw/zinc/23/26/77/180232677.db2.gz OAAWUDHOAAJZPI-OIISXLGYSA-N 1 0 291.391 2.370 10 0 CEAERO CC[NH2+][C@@H](c1ccc(C)s1)[C@@H]1CN(C)CCO1 ZINC000091718894 180233564 /nfs/dbraw/zinc/23/35/64/180233564.db2.gz PJEOQDDGSMMELV-WCQYABFASA-N 1 0 254.399 2.038 10 0 CEAERO CC[NH2+][C@H](c1csc(C)c1)[C@@H]1CN(C)CCO1 ZINC000091718811 180233621 /nfs/dbraw/zinc/23/36/21/180233621.db2.gz XECCIUAVKLJUBK-QWHCGFSZSA-N 1 0 254.399 2.038 10 0 CEAERO CCC1CCC([C@@H]([NH2+]C)[C@H]2CN(C)CCO2)CC1 ZINC000091718097 180233772 /nfs/dbraw/zinc/23/37/72/180233772.db2.gz QHJZRYCNXPLPGA-NEXFUWMNSA-N 1 0 254.418 2.121 10 0 CEAERO CCC[NH2+][C@H](Cc1ccc(OC)c(F)c1)CN(C)C ZINC000091719899 180234192 /nfs/dbraw/zinc/23/41/92/180234192.db2.gz JQJLRYUNGOIUOO-CYBMUJFWSA-N 1 0 268.376 2.307 10 0 CEAERO CCC[NH2+][C@H](c1ccc(F)cc1)[C@@H]1CN(C)CCO1 ZINC000091719339 180234207 /nfs/dbraw/zinc/23/42/07/180234207.db2.gz KETBDPYVOCECCB-LSDHHAIUSA-N 1 0 266.360 2.197 10 0 CEAERO CCC[NH2+][C@@H](c1cccc(F)c1)[C@H]1CN(C)CCO1 ZINC000091719264 180234247 /nfs/dbraw/zinc/23/42/47/180234247.db2.gz FGKYVKMLMMOBAU-CABCVRRESA-N 1 0 266.360 2.197 10 0 CEAERO CN(C)C[C@@H]([NH3+])Cc1ccc(OC(F)(F)F)cc1 ZINC000091719597 180234278 /nfs/dbraw/zinc/23/42/78/180234278.db2.gz NYYKZGFTLLTNPW-JTQLQIEISA-N 1 0 262.275 2.017 10 0 CEAERO C[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1cc2c(s1)CCCC2 ZINC000624237224 350240600 /nfs/dbraw/zinc/24/06/00/350240600.db2.gz RZRFIMMETJDFDE-WCFLWFBJSA-N 1 0 281.421 2.427 10 0 CEAERO C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1CCOC[C@H]1O ZINC000624238728 350241129 /nfs/dbraw/zinc/24/11/29/350241129.db2.gz XNLFLDVVJSVOAG-VNQPRFMTSA-N 1 0 277.408 2.482 10 0 CEAERO O=C1N(Cc2csc3ccccc23)C[C@@H]2C[NH2+]CCN12 ZINC000091750841 180245680 /nfs/dbraw/zinc/24/56/80/180245680.db2.gz UDALPPTUTZUWDX-LBPRGKRZSA-N 1 0 287.388 2.111 10 0 CEAERO CCc1ccc(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)o1 ZINC000091762388 180247465 /nfs/dbraw/zinc/24/74/65/180247465.db2.gz PFASHUCVQDICTE-NSHDSACASA-N 1 0 262.353 2.247 10 0 CEAERO CCc1ccc(C(=O)N(CC)[C@H]2CCC[C@@H]2C[NH3+])o1 ZINC000091762953 180248675 /nfs/dbraw/zinc/24/86/75/180248675.db2.gz RQNQOWZJOBMCGV-YPMHNXCESA-N 1 0 264.369 2.432 10 0 CEAERO CCC(CC)NC(=O)Cn1cccc1[C@H](C)[NH2+]C ZINC000091801215 180259483 /nfs/dbraw/zinc/25/94/83/180259483.db2.gz VATSSCYYSBSAQL-NSHDSACASA-N 1 0 251.374 2.073 10 0 CEAERO Cc1ccc(C)n1NC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000091795866 180258101 /nfs/dbraw/zinc/25/81/01/180258101.db2.gz BPCDPICGNAYASS-HNNXBMFYSA-N 1 0 269.348 2.062 10 0 CEAERO COc1ccc(NC(=O)Cn2cccc2[C@H](C)[NH3+])cc1 ZINC000091800082 180258949 /nfs/dbraw/zinc/25/89/49/180258949.db2.gz PTPQVHSREWTGON-NSHDSACASA-N 1 0 273.336 2.155 10 0 CEAERO CCC(CC)NC(=O)Cn1cccc1[C@@H](C)[NH2+]C ZINC000091801214 180259172 /nfs/dbraw/zinc/25/91/72/180259172.db2.gz VATSSCYYSBSAQL-LLVKDONJSA-N 1 0 251.374 2.073 10 0 CEAERO CCC[NH2+][C@H](c1cnccc1C)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091722269 180240436 /nfs/dbraw/zinc/24/04/36/180240436.db2.gz FVWULVYWGZISHN-HYVNUMGLSA-N 1 0 289.423 2.294 10 0 CEAERO CCC[NH2+]C[C@@H](C)c1c(C)nc(CN(C)C)nc1C ZINC000091723767 180242439 /nfs/dbraw/zinc/24/24/39/180242439.db2.gz GGRXKAFADLFGSQ-LLVKDONJSA-N 1 0 264.417 2.258 10 0 CEAERO CCN(C(=O)Cc1ccccc1F)C1CCC([NH3+])CC1 ZINC000091850198 180272488 /nfs/dbraw/zinc/27/24/88/180272488.db2.gz IVEANNMEJAIPQB-UHFFFAOYSA-N 1 0 278.371 2.487 10 0 CEAERO CCN(C(=O)[C@@H]1Cc2ccccc2O1)C1CCC([NH3+])CC1 ZINC000091850191 180272546 /nfs/dbraw/zinc/27/25/46/180272546.db2.gz FQHJLKFFOSSNSW-XUJLQICISA-N 1 0 288.391 2.109 10 0 CEAERO CCCN(c1ccnc(N(C)C)n1)C1CCC([NH3+])CC1 ZINC000091852780 180272739 /nfs/dbraw/zinc/27/27/39/180272739.db2.gz KXLWWROBPUVZIB-UHFFFAOYSA-N 1 0 277.416 2.029 10 0 CEAERO CCN(c1ccccc1S(C)(=O)=O)C1CCC([NH3+])CC1 ZINC000091851272 180272802 /nfs/dbraw/zinc/27/28/02/180272802.db2.gz AGJZPXHOIIHIBB-UHFFFAOYSA-N 1 0 296.436 2.186 10 0 CEAERO CCCN(c1nccn(C(C)C)c1=O)C1CCC([NH3+])CC1 ZINC000091852707 180272895 /nfs/dbraw/zinc/27/28/95/180272895.db2.gz BLNRFVXOOKNHDO-UHFFFAOYSA-N 1 0 292.427 2.311 10 0 CEAERO C[N@H+](C[C@](C)(O)c1ccccc1)C1CCC(=O)CC1 ZINC000091853824 180273551 /nfs/dbraw/zinc/27/35/51/180273551.db2.gz JOSSAUJKWUJKIK-INIZCTEOSA-N 1 0 261.365 2.338 10 0 CEAERO COC(=O)c1ccc(C[N@H+](C)C2CCC(=O)CC2)cc1 ZINC000091853956 180273820 /nfs/dbraw/zinc/27/38/20/180273820.db2.gz GTYFIBBCNKPZML-UHFFFAOYSA-N 1 0 275.348 2.417 10 0 CEAERO C[N@H+](C1CCC2(CC1)OCCO2)[C@@H]1CCCCC[C@@H]1O ZINC000091853770 180273875 /nfs/dbraw/zinc/27/38/75/180273875.db2.gz BNEVCSPMAQXUAT-CABCVRRESA-N 1 0 283.412 2.298 10 0 CEAERO C[NH2+][C@@H](C)c1ccn(CC(=O)Nc2ccc(OC)cc2)c1 ZINC000091804332 180259708 /nfs/dbraw/zinc/25/97/08/180259708.db2.gz OIGHJPZYWILZSC-LBPRGKRZSA-N 1 0 287.363 2.416 10 0 CEAERO Cc1cccc(NC(=O)Cn2ccc([C@@H](C)[NH3+])c2)c1 ZINC000091803355 180259878 /nfs/dbraw/zinc/25/98/78/180259878.db2.gz YHPRMIBQWWPVLL-GFCCVEGCSA-N 1 0 257.337 2.455 10 0 CEAERO C[C@@H]([NH3+])c1ccn(CC(=O)Nc2cccc(F)c2)c1 ZINC000091803768 180259957 /nfs/dbraw/zinc/25/99/57/180259957.db2.gz FJDHDOMOFBTNKT-SNVBAGLBSA-N 1 0 261.300 2.286 10 0 CEAERO CCCCNC(=O)Cn1cccc1[C@@H](C)[NH2+]CCC ZINC000091802693 180260074 /nfs/dbraw/zinc/26/00/74/180260074.db2.gz CXYPRJMSMIZGFJ-CYBMUJFWSA-N 1 0 265.401 2.465 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccn(CCCC(=O)NC)c1 ZINC000091805998 180260783 /nfs/dbraw/zinc/26/07/83/180260783.db2.gz HIKSYTOOZJPAHJ-LBPRGKRZSA-N 1 0 251.374 2.075 10 0 CEAERO CCC[NH2+][C@H](C)c1ccn(CC(=O)NCC(F)(F)F)c1 ZINC000091806414 180260948 /nfs/dbraw/zinc/26/09/48/180260948.db2.gz GYAVGXLLIGLXEA-SNVBAGLBSA-N 1 0 291.317 2.227 10 0 CEAERO CCC[NH2+][C@H](CC)c1ccn(CC(=O)NCC)c1 ZINC000091817955 180262892 /nfs/dbraw/zinc/26/28/92/180262892.db2.gz CGOZGXTWJWTTHC-CYBMUJFWSA-N 1 0 251.374 2.075 10 0 CEAERO CCC[C@@H]([NH2+]CC)c1ccn(CCS(=O)(=O)CC)c1 ZINC000091822910 180263952 /nfs/dbraw/zinc/26/39/52/180263952.db2.gz BJFAGRHTEJDMQS-CQSZACIVSA-N 1 0 286.441 2.374 10 0 CEAERO CCC[NH2+][C@@H](CCC)c1ccn(CCS(C)(=O)=O)c1 ZINC000091823713 180264041 /nfs/dbraw/zinc/26/40/41/180264041.db2.gz XQCBKMALFOCAAU-AWEZNQCLSA-N 1 0 286.441 2.374 10 0 CEAERO CC[C@@H](C)NC(=O)Cn1ccc([C@@H]([NH3+])C(C)C)c1 ZINC000091825603 180264798 /nfs/dbraw/zinc/26/47/98/180264798.db2.gz HBDXKYAFUPFZDS-RISCZKNCSA-N 1 0 251.374 2.059 10 0 CEAERO CC[C@@H](C)NC(=O)Cn1ccc([C@H]([NH3+])C(C)C)c1 ZINC000091825600 180265262 /nfs/dbraw/zinc/26/52/62/180265262.db2.gz HBDXKYAFUPFZDS-BXUZGUMPSA-N 1 0 251.374 2.059 10 0 CEAERO CCC[NH2+][C@@H](c1ccn(CC(=O)N(C)CC)c1)C1CC1 ZINC000091839551 180267875 /nfs/dbraw/zinc/26/78/75/180267875.db2.gz VHTASMYZVGMCLB-MRXNPFEDSA-N 1 0 277.412 2.417 10 0 CEAERO COc1cccc(Cn2ccc([C@@H]([NH3+])C3CC3)c2)n1 ZINC000091836072 180268173 /nfs/dbraw/zinc/26/81/73/180268173.db2.gz HQRBCTRMPSIRCC-HNNXBMFYSA-N 1 0 257.337 2.350 10 0 CEAERO CCN(C(=O)c1ccc(C)nc1C)C1CCC([NH3+])CC1 ZINC000091850141 180271747 /nfs/dbraw/zinc/27/17/47/180271747.db2.gz BUIXVDKMPWATIG-UHFFFAOYSA-N 1 0 275.396 2.430 10 0 CEAERO CCN(C(=O)c1scnc1C)C1CCC([NH3+])CC1 ZINC000091850303 180272021 /nfs/dbraw/zinc/27/20/21/180272021.db2.gz FYLQRCXMBGIFAT-UHFFFAOYSA-N 1 0 267.398 2.184 10 0 CEAERO CCn1cncc1[C@H](O)C1(C[NH3+])CCC(C)CC1 ZINC000091926285 180287657 /nfs/dbraw/zinc/28/76/57/180287657.db2.gz RZNHOZJIOKYPKO-QRMWWUJWSA-N 1 0 251.374 2.092 10 0 CEAERO CC[C@@H]1CC[C@@](C[NH3+])(C2(O)CN(C(=O)OC(C)(C)C)C2)C1 ZINC000091925219 180287677 /nfs/dbraw/zinc/28/76/77/180287677.db2.gz RAUKSLVYHFVZCZ-IUODEOHRSA-N 1 0 298.427 2.123 10 0 CEAERO CCCC1CCC(C[NH3+])([C@@H](O)c2cncn2C)CC1 ZINC000091926062 180287728 /nfs/dbraw/zinc/28/77/28/180287728.db2.gz OTHQUFZSKYCCEC-BLZCZZARSA-N 1 0 265.401 2.389 10 0 CEAERO CCOc1ccccc1-c1ocnc1C[NH2+]CCOC ZINC000091959418 180292344 /nfs/dbraw/zinc/29/23/44/180292344.db2.gz RBSXBBLPYKQZNE-UHFFFAOYSA-N 1 0 276.336 2.476 10 0 CEAERO COCC[NH2+]Cc1ncoc1-c1c(F)cc(F)cc1F ZINC000091959537 180292550 /nfs/dbraw/zinc/29/25/50/180292550.db2.gz PWBYZSJTIIZAOS-UHFFFAOYSA-N 1 0 286.253 2.495 10 0 CEAERO CCCn1ccnc(N(C)C2CCC([NH2+]CC)CC2)c1=O ZINC000091870790 180276950 /nfs/dbraw/zinc/27/69/50/180276950.db2.gz LEPKZRFHTFTPCG-UHFFFAOYSA-N 1 0 292.427 2.010 10 0 CEAERO C[NH2+]C1CCC(N(C)c2cccc(Cl)c2C(N)=O)CC1 ZINC000091873653 180278650 /nfs/dbraw/zinc/27/86/50/180278650.db2.gz INCZLIHZZMLFON-UHFFFAOYSA-N 1 0 295.814 2.406 10 0 CEAERO CCC(CC)(C[NH3+])N(C)C(=O)N1CCCCCC1 ZINC000091971129 180295049 /nfs/dbraw/zinc/29/50/49/180295049.db2.gz HRVLZVSJQSDNDM-UHFFFAOYSA-N 1 0 255.406 2.432 10 0 CEAERO C[C@H]1CCC[C@](C[NH3+])(N(C)C(=O)N2CCCCC2)C1 ZINC000091969095 180294726 /nfs/dbraw/zinc/29/47/26/180294726.db2.gz ABVSYPXOKCYRTO-ZFWWWQNUSA-N 1 0 267.417 2.432 10 0 CEAERO NC(=[NH2+])CCN(C(=O)N1CCCC1)c1ccccc1 ZINC000091968820 180294730 /nfs/dbraw/zinc/29/47/30/180294730.db2.gz HDGWNLOOXZSWPM-UHFFFAOYSA-N 1 0 260.341 2.035 10 0 CEAERO [NH3+]C[C@@]1([C@H](O)c2ccc(Cl)cc2Cl)CCOC1 ZINC000091909816 180284798 /nfs/dbraw/zinc/28/47/98/180284798.db2.gz LFKHSBVBKZKWLW-NEPJUHHUSA-N 1 0 276.163 2.392 10 0 CEAERO CC[C@@](C)(C[NH3+])[C@H](O)c1c(OC)cc(OC)cc1OC ZINC000091909147 180284898 /nfs/dbraw/zinc/28/48/98/180284898.db2.gz DJJOQWCUMOEYIO-CABCVRRESA-N 1 0 283.368 2.121 10 0 CEAERO [NH3+]C[C@]1([C@H](O)c2cccnc2)CCc2ccccc2C1 ZINC000091910116 180285102 /nfs/dbraw/zinc/28/51/02/180285102.db2.gz SJUWYVMNMQZLLF-SJORKVTESA-N 1 0 268.360 2.249 10 0 CEAERO [NH3+]C[C@@]1([C@@H](O)c2ccccn2)CCc2ccccc2C1 ZINC000091910165 180285168 /nfs/dbraw/zinc/28/51/68/180285168.db2.gz IFWJHQJMRFAVDK-DLBZAZTESA-N 1 0 268.360 2.249 10 0 CEAERO CC[C@@](C)(C[NH3+])[C@H](O)c1cc(OC)c(OC)c(OC)c1 ZINC000091910205 180285412 /nfs/dbraw/zinc/28/54/12/180285412.db2.gz KNYNIBCTGVDAPZ-CABCVRRESA-N 1 0 283.368 2.121 10 0 CEAERO CC[C@@](C)(C[NH3+])[C@](C)(O)Cc1ccc(OC)c(OC)c1 ZINC000091919794 180286491 /nfs/dbraw/zinc/28/64/91/180286491.db2.gz DSZVVMIFMTXEFM-JKSUJKDBSA-N 1 0 281.396 2.372 10 0 CEAERO CCC1CCC(C[NH3+])([C@@]2(O)CCO[C@H](C)C2)CC1 ZINC000091918509 180286560 /nfs/dbraw/zinc/28/65/60/180286560.db2.gz BYFAZGNNAPIKKV-XSCHDIRWSA-N 1 0 255.402 2.462 10 0 CEAERO C[C@H]1C[C@](O)(C2(C[NH3+])CCC(C)(C)CC2)CCO1 ZINC000091918401 180286613 /nfs/dbraw/zinc/28/66/13/180286613.db2.gz WMQBOEOWCDXWKN-WFASDCNBSA-N 1 0 255.402 2.462 10 0 CEAERO CC[C@](O)(C1CC1)[C@@]1(C[NH3+])COc2ccccc2C1 ZINC000091921778 180286917 /nfs/dbraw/zinc/28/69/17/180286917.db2.gz INVXHOIAGPCLJB-HOTGVXAUSA-N 1 0 261.365 2.118 10 0 CEAERO CCn1cncc1[C@@H](O)C1(C[NH3+])CCC(C)(C)CC1 ZINC000091926142 180287386 /nfs/dbraw/zinc/28/73/86/180287386.db2.gz UFQNPNNUHAVIPK-CYBMUJFWSA-N 1 0 265.401 2.482 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]C23CC4CC(CC(C4)C2)C3)C1 ZINC000092051701 180312650 /nfs/dbraw/zinc/31/26/50/180312650.db2.gz DFRFAWCLCMVYFU-KLZNEWFBSA-N 1 0 278.440 2.266 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccccc1OC[C@H]1CN(C)CCO1 ZINC000092054213 180314600 /nfs/dbraw/zinc/31/46/00/180314600.db2.gz VRHPABBOFRMHBI-LSDHHAIUSA-N 1 0 292.423 2.457 10 0 CEAERO NC(=[NH2+])C1(NC(=O)N2CCCCCC2)CCCCC1 ZINC000091971984 180295443 /nfs/dbraw/zinc/29/54/43/180295443.db2.gz YUCDRFFJEVHNKR-UHFFFAOYSA-N 1 0 266.389 2.211 10 0 CEAERO [NH3+][C@H]1CC[C@@H]2CN(C(=O)N3CCCCCC3)C[C@@H]2C1 ZINC000091971556 180295722 /nfs/dbraw/zinc/29/57/22/180295722.db2.gz DSFQRJBRSSNCCB-RDBSUJKOSA-N 1 0 265.401 2.042 10 0 CEAERO CCCN(C(=O)N1CCC[C@H](C)C1)C(C)(C)C[NH3+] ZINC000091972920 180296205 /nfs/dbraw/zinc/29/62/05/180296205.db2.gz KGHRYSYOQYXDHA-LBPRGKRZSA-N 1 0 255.406 2.288 10 0 CEAERO CC1CCN(C(=O)N(C)c2ccc(C[NH3+])cc2)CC1 ZINC000091972662 180296267 /nfs/dbraw/zinc/29/62/67/180296267.db2.gz ABKXCALFMVQFMQ-UHFFFAOYSA-N 1 0 261.369 2.433 10 0 CEAERO CC1CCN(C(=O)N2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000091990814 180300117 /nfs/dbraw/zinc/30/01/17/180300117.db2.gz PGKGZJRWLLBDOK-KGLIPLIRSA-N 1 0 265.401 2.055 10 0 CEAERO C[C@H]1CCCN(C(=O)N(CC(N)=[NH2+])C2CCCC2)C1 ZINC000091993445 180300257 /nfs/dbraw/zinc/30/02/57/180300257.db2.gz GDZVAAORICEVKH-NSHDSACASA-N 1 0 266.389 2.019 10 0 CEAERO CC1CCN(C(=O)Nc2ccc(OCC(N)=[NH2+])cc2)CC1 ZINC000091993275 180300392 /nfs/dbraw/zinc/30/03/92/180300392.db2.gz SCQMEKMDKWHUJF-UHFFFAOYSA-N 1 0 290.367 2.265 10 0 CEAERO COCC[NH2+]Cc1nc(C)ccc1OCCC(F)(F)F ZINC000091996697 180302084 /nfs/dbraw/zinc/30/20/84/180302084.db2.gz JRIFJKTVBKLHIK-UHFFFAOYSA-N 1 0 292.301 2.457 10 0 CEAERO Cc1ccc(O[C@H]2CCOC2)c(C[NH2+]C(C)(C)C)n1 ZINC000091996013 180302333 /nfs/dbraw/zinc/30/23/33/180302333.db2.gz YJJQHHVBZOHXFS-LBPRGKRZSA-N 1 0 264.369 2.446 10 0 CEAERO CCOC(=O)[C@H](C)Oc1ccc(C)nc1C[NH2+]C(C)C ZINC000091995543 180302503 /nfs/dbraw/zinc/30/25/03/180302503.db2.gz BSGLQRHBYJVHJR-LBPRGKRZSA-N 1 0 280.368 2.218 10 0 CEAERO Cc1nc(COc2ccc(C)nc2CC[NH3+])cs1 ZINC000091999583 180303456 /nfs/dbraw/zinc/30/34/56/180303456.db2.gz YVBSMEXBZNTGPY-UHFFFAOYSA-N 1 0 263.366 2.235 10 0 CEAERO COCC[NH2+]C[C@@H]1CCCN(C/C(Cl)=C/Cl)C1 ZINC000092026207 180308713 /nfs/dbraw/zinc/30/87/13/180308713.db2.gz KUSQSSXJZMKWGS-ZWIPKHHJSA-N 1 0 281.227 2.253 10 0 CEAERO Cc1cc(C)c(S(=O)(=O)N2C[C@@H](C)[C@H](C)C2)cc1C[NH3+] ZINC000092113389 180327074 /nfs/dbraw/zinc/32/70/74/180327074.db2.gz NUWZGSJAGZCOCH-CHWSQXEVSA-N 1 0 296.436 2.039 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)N[C@@H](C)Cc1cccc(Cl)c1 ZINC000092133329 180330985 /nfs/dbraw/zinc/33/09/85/180330985.db2.gz DYZTWCRKRHORIU-QWRGUYRKSA-N 1 0 268.788 2.243 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)Nc1ccc(OC)c(OC(F)F)c1 ZINC000092133754 180331699 /nfs/dbraw/zinc/33/16/99/180331699.db2.gz CKSSAQYEYZGGIJ-MRVPVSSYSA-N 1 0 288.294 2.091 10 0 CEAERO CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)C[NH2+]C ZINC000092137037 180333060 /nfs/dbraw/zinc/33/30/60/180333060.db2.gz NNADBGJQDHLBCD-QMMMGPOBSA-N 1 0 284.381 2.027 10 0 CEAERO CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)C[NH2+]C ZINC000092135923 180333366 /nfs/dbraw/zinc/33/33/66/180333366.db2.gz PAABZIFZWCQSFZ-VIFPVBQESA-N 1 0 298.408 2.281 10 0 CEAERO CCC[NH2+][C@@H](Cc1nc(C(C)(C)OC)no1)C1CC1 ZINC000092141354 180333629 /nfs/dbraw/zinc/33/36/29/180333629.db2.gz DHXBXGDSZKRAQO-NSHDSACASA-N 1 0 267.373 2.272 10 0 CEAERO CCC[NH2+][C@@H](c1c(C)ccnc1N)C(C)(C)OC ZINC000092140000 180333671 /nfs/dbraw/zinc/33/36/71/180333671.db2.gz YNUKOAXMEUSFEV-LBPRGKRZSA-N 1 0 251.374 2.438 10 0 CEAERO CCc1cc(C[C@@H]([NH2+]C)C(C)(C)OC)n(CC)n1 ZINC000092139032 180333766 /nfs/dbraw/zinc/33/37/66/180333766.db2.gz NTFNMWHGHUEVQP-CYBMUJFWSA-N 1 0 253.390 2.021 10 0 CEAERO CCC[C@]1(c2nc(C(C)(C)OC)no2)CCC[NH2+]C1 ZINC000092137943 180333784 /nfs/dbraw/zinc/33/37/84/180333784.db2.gz WXCVVMOOERXVMC-AWEZNQCLSA-N 1 0 267.373 2.372 10 0 CEAERO CCC[NH2+][C@H](C)[C@@H](C)c1nc(C(C)(C)OC)no1 ZINC000092141617 180334168 /nfs/dbraw/zinc/33/41/68/180334168.db2.gz AJPHNQIQLHXWRV-NXEZZACHSA-N 1 0 255.362 2.443 10 0 CEAERO C[C@@H]1C[NH+](CCC(=O)Nc2ccc(F)cc2N)C[C@H]1C ZINC000092080707 180319015 /nfs/dbraw/zinc/31/90/15/180319015.db2.gz UBJYREARRIFDIP-GHMZBOCLSA-N 1 0 279.359 2.324 10 0 CEAERO C[C@H]1C[NH+](Cc2nc3sccc3c(N)n2)C[C@@H]1C ZINC000092087949 180321670 /nfs/dbraw/zinc/32/16/70/180321670.db2.gz SGNODXLHOLQVDI-IUCAKERBSA-N 1 0 262.382 2.361 10 0 CEAERO COCC[NH2+]Cc1sc(N2C[C@@H](C)[C@H](C)C2)nc1C ZINC000092089812 180321713 /nfs/dbraw/zinc/32/17/13/180321713.db2.gz XCUYUCQSUJHIQH-GHMZBOCLSA-N 1 0 283.441 2.280 10 0 CEAERO C[C@H](NC(=O)[C@H]1C=C[C@@H]([NH3+])C1)c1cc(F)ccc1F ZINC000092202426 180342794 /nfs/dbraw/zinc/34/27/94/180342794.db2.gz BRIBJKXDKDNDCF-ATZCPNFKSA-N 1 0 266.291 2.045 10 0 CEAERO Cc1c(Cl)cccc1NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092201208 180342806 /nfs/dbraw/zinc/34/28/06/180342806.db2.gz ZWLHFCVBPXQQFS-NXEZZACHSA-N 1 0 250.729 2.490 10 0 CEAERO CC(C)N(Cc1ccccc1)C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092201424 180342888 /nfs/dbraw/zinc/34/28/88/180342888.db2.gz BSDPRRGWEQOOPW-HUUCEWRRSA-N 1 0 258.365 2.327 10 0 CEAERO CCOc1ccc(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)cc1OCC ZINC000092201358 180342890 /nfs/dbraw/zinc/34/28/90/180342890.db2.gz MLUIKECYWMBXNT-NWDGAFQWSA-N 1 0 290.363 2.326 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)Nc2ccc(Br)cc2F)C1 ZINC000092201301 180343066 /nfs/dbraw/zinc/34/30/66/180343066.db2.gz ZWMJUAJGZBSODF-APPZFPTMSA-N 1 0 299.143 2.430 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)Nc2cnc3ccccc3c2)C1 ZINC000092202913 180343444 /nfs/dbraw/zinc/34/34/44/180343444.db2.gz LNFJOOGKXNBRPB-RYUDHWBXSA-N 1 0 253.305 2.077 10 0 CEAERO CCCOc1ccccc1NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092202653 180343492 /nfs/dbraw/zinc/34/34/92/180343492.db2.gz ZUJCVEFMMXMAEY-VXGBXAGGSA-N 1 0 260.337 2.317 10 0 CEAERO CN(Cc1c(F)cccc1Cl)C(=O)[C@@H]1C=C[C@H]([NH3+])C1 ZINC000092204424 180343780 /nfs/dbraw/zinc/34/37/80/180343780.db2.gz WBDYHKJCZGVBDT-ZJUUUORDSA-N 1 0 282.746 2.341 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)Nc2ccc(N3CCCC3)c(F)c2)C1 ZINC000092204253 180343815 /nfs/dbraw/zinc/34/38/15/180343815.db2.gz KONBQANDNTUYPU-RYUDHWBXSA-N 1 0 289.354 2.268 10 0 CEAERO CCC(CC)N(CC(F)(F)F)C(=O)[C@@H]1C=C[C@H]([NH3+])C1 ZINC000092205186 180344252 /nfs/dbraw/zinc/34/42/52/180344252.db2.gz TULNGQILKDVULY-ZJUUUORDSA-N 1 0 278.318 2.469 10 0 CEAERO CCCCN(CC(F)(F)F)C(=O)[C@@H]1C=C[C@H]([NH3+])C1 ZINC000092205066 180344269 /nfs/dbraw/zinc/34/42/69/180344269.db2.gz DGRNSCAITTTZEN-ZJUUUORDSA-N 1 0 264.291 2.081 10 0 CEAERO C[C@H](c1cc(F)ccc1F)N(C)C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092204928 180344330 /nfs/dbraw/zinc/34/43/30/180344330.db2.gz RBGZOWLOMQFJJP-CKYFFXLPSA-N 1 0 280.318 2.388 10 0 CEAERO CN(C(=O)[C@H]1C=C[C@H]([NH3+])C1)C1C2CC3CC(C2)CC1C3 ZINC000092204991 180344354 /nfs/dbraw/zinc/34/43/54/180344354.db2.gz WUWFVKHXOHGPDG-LOPNKKAKSA-N 1 0 274.408 2.173 10 0 CEAERO CC1(C)C[NH2+]CCN1C[C@@H]1Cc2ccccc2S1 ZINC000092263321 180354694 /nfs/dbraw/zinc/35/46/94/180354694.db2.gz JALFUQAOWXMHKL-ZDUSSCGKSA-N 1 0 262.422 2.387 10 0 CEAERO CN(CC[NH2+]C1CC1)CCSc1ccccc1 ZINC000092262995 180355067 /nfs/dbraw/zinc/35/50/67/180355067.db2.gz VESKZWWGMJDSNO-UHFFFAOYSA-N 1 0 250.411 2.463 10 0 CEAERO [NH3+]C[C@]1(C[C@@H]2COc3ccccc32)CCCC[C@@H]1O ZINC000092307678 180360442 /nfs/dbraw/zinc/36/04/42/180360442.db2.gz BSPCFBZOCQTJFN-UHOFOFEASA-N 1 0 261.365 2.433 10 0 CEAERO CC(C)C1(O)C[NH+](C[C@H]2Cc3ccccc3S2)C1 ZINC000092270282 180356074 /nfs/dbraw/zinc/35/60/74/180356074.db2.gz FWKMIPUOUUJBNN-CYBMUJFWSA-N 1 0 263.406 2.406 10 0 CEAERO C[NH2+]Cc1cnn(C[C@@H]2CSc3ccccc32)c1 ZINC000092294511 180357683 /nfs/dbraw/zinc/35/76/83/180357683.db2.gz CMCQNHFXAONBDN-GFCCVEGCSA-N 1 0 259.378 2.492 10 0 CEAERO OC[C@H](Cc1ccccc1)[NH2+]C[C@H]1COc2ccccc21 ZINC000092300937 180358291 /nfs/dbraw/zinc/35/82/91/180358291.db2.gz CUKNTZPMRJRVGL-HOTGVXAUSA-N 1 0 283.371 2.356 10 0 CEAERO OCC1([NH2+]C[C@H]2COc3ccccc32)CCCCC1 ZINC000092300756 180358603 /nfs/dbraw/zinc/35/86/03/180358603.db2.gz XPVLXNULOHAHPF-ZDUSSCGKSA-N 1 0 261.365 2.447 10 0 CEAERO CC(C)C[NH2+]CCN(C)C[C@H]1COc2ccccc21 ZINC000092302712 180359249 /nfs/dbraw/zinc/35/92/49/180359249.db2.gz COBALJQLYRDCEE-AWEZNQCLSA-N 1 0 262.397 2.340 10 0 CEAERO C[C@@H](O)C[N@@H+]1CCN(Cc2cccc3cccnc32)C[C@@H]1C ZINC000105823282 186073803 /nfs/dbraw/zinc/07/38/03/186073803.db2.gz MUNOEDGZSHNXGU-LSDHHAIUSA-N 1 0 299.418 2.122 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](c2nc(COc3ccccc3)no2)C1 ZINC000092181737 180339076 /nfs/dbraw/zinc/33/90/76/180339076.db2.gz FBEJWKMDIGBBCQ-GHMZBOCLSA-N 1 0 257.293 2.019 10 0 CEAERO CC1(C)CN(C[C@H]2COc3ccccc32)CCC[NH2+]1 ZINC000092307392 180360779 /nfs/dbraw/zinc/36/07/79/180360779.db2.gz JJJNXIFHHNSOLG-ZDUSSCGKSA-N 1 0 260.381 2.237 10 0 CEAERO COc1ccccc1[C@@H](C)NC(=O)C[NH2+]C(C)(C)C ZINC000105854769 186079141 /nfs/dbraw/zinc/07/91/41/186079141.db2.gz OUKBBDANOWYSOZ-LLVKDONJSA-N 1 0 264.369 2.261 10 0 CEAERO Cc1cnn(CC[NH2+]Cc2ccc(F)cc2F)c1 ZINC000105908693 186086931 /nfs/dbraw/zinc/08/69/31/186086931.db2.gz IMYDOIAHKBJGAN-UHFFFAOYSA-N 1 0 251.280 2.260 10 0 CEAERO Cc1cnn([C@H]2CCC[N@H+](CCOCC(F)(F)F)C2)c1 ZINC000105901550 186087548 /nfs/dbraw/zinc/08/75/48/186087548.db2.gz ITEWCUZPCRHPFU-LBPRGKRZSA-N 1 0 291.317 2.407 10 0 CEAERO CCCCOC(=O)CC[NH+]1CCC(Cn2cccn2)CC1 ZINC000105920225 186090645 /nfs/dbraw/zinc/09/06/45/186090645.db2.gz IGGISEDYNVGPCX-UHFFFAOYSA-N 1 0 293.411 2.329 10 0 CEAERO COCCCCC[N@@H+]1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000105921538 186090674 /nfs/dbraw/zinc/09/06/74/186090674.db2.gz OZQUTIVMEGZPSJ-INIZCTEOSA-N 1 0 295.427 2.017 10 0 CEAERO Cc1nn(-c2cc(F)c(F)c(F)c2)c(C)c1CC[NH3+] ZINC000092320260 180361748 /nfs/dbraw/zinc/36/17/48/180361748.db2.gz LJJRISSLZXRBAX-UHFFFAOYSA-N 1 0 269.270 2.408 10 0 CEAERO COCCCCC[N@@H+]1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000105921541 186091009 /nfs/dbraw/zinc/09/10/09/186091009.db2.gz OZQUTIVMEGZPSJ-MRXNPFEDSA-N 1 0 295.427 2.017 10 0 CEAERO CC[NH2+]CCc1c(CC)nn(-c2ccc(C)nn2)c1CC ZINC000092322901 180362179 /nfs/dbraw/zinc/36/21/79/180362179.db2.gz GZOZWUJYALFLNP-UHFFFAOYSA-N 1 0 287.411 2.248 10 0 CEAERO C[NH2+]CCc1c(C)nn(-c2nc3ccccc3[nH]2)c1C ZINC000092323626 180362261 /nfs/dbraw/zinc/36/22/61/180362261.db2.gz VRNSMPRNDJJZQR-UHFFFAOYSA-N 1 0 269.352 2.127 10 0 CEAERO Cc1nn(-c2ccc(C)nn2)c(C)c1CCC[NH2+]C1CC1 ZINC000092322914 180362506 /nfs/dbraw/zinc/36/25/06/180362506.db2.gz RLXRCORBRHSMQF-UHFFFAOYSA-N 1 0 285.395 2.272 10 0 CEAERO Cc1noc(C)c1[C@@H](C)N[C@H]1CCC[N@H+](C)CC1 ZINC000092328422 180362684 /nfs/dbraw/zinc/36/26/84/180362684.db2.gz LCEBSIPDPWGTGY-MFKMUULPSA-N 1 0 251.374 2.426 10 0 CEAERO c1cn2cc(C[NH2+]C[C@H]3CCCCO3)nc2s1 ZINC000105971805 186095391 /nfs/dbraw/zinc/09/53/91/186095391.db2.gz UXOBZQOZTSFBPE-LLVKDONJSA-N 1 0 251.355 2.055 10 0 CEAERO COC(C)(C)C[C@H](C)[NH2+]Cc1c(C)nn(C)c1C ZINC000092325606 180363054 /nfs/dbraw/zinc/36/30/54/180363054.db2.gz CXOARHGZVLADST-JTQLQIEISA-N 1 0 253.390 2.330 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH2+]CCc1nncn1C)CCC2 ZINC000092384026 180373022 /nfs/dbraw/zinc/37/30/22/180373022.db2.gz FRMHNXCPJFTTIU-OAHLLOKOSA-N 1 0 286.379 2.033 10 0 CEAERO CCC[C@@]1(C(=O)N[C@H](C)c2c(C)noc2C)CC[NH2+]C1 ZINC000092329803 180363532 /nfs/dbraw/zinc/36/35/32/180363532.db2.gz MAACNMOPUIYZFP-MEBBXXQBSA-N 1 0 279.384 2.248 10 0 CEAERO Cc1noc(C)c1[C@@H](C)NC(=O)CC[C@H]1CCCC[NH2+]1 ZINC000092329977 180363764 /nfs/dbraw/zinc/36/37/64/180363764.db2.gz BWJCGXRUXKGEEW-ZWNOBZJWSA-N 1 0 279.384 2.391 10 0 CEAERO COCC[N@@H+]1CCN(Cc2ccc(F)c(F)c2)C[C@@H]1C ZINC000106109516 186102529 /nfs/dbraw/zinc/10/25/29/186102529.db2.gz SFTXOGUISPMFTP-LBPRGKRZSA-N 1 0 284.350 2.117 10 0 CEAERO CC[C@@H]1CN(Cc2ccc(F)c(F)c2)CC[N@@H+]1C[C@@H](C)O ZINC000106103928 186102755 /nfs/dbraw/zinc/10/27/55/186102755.db2.gz JOUQFPDOIWLYRG-TZMCWYRMSA-N 1 0 298.377 2.242 10 0 CEAERO C[C@H](C[NH3+])[C@H](O)c1c(F)c(F)c(F)c(F)c1F ZINC000106205658 186104137 /nfs/dbraw/zinc/10/41/37/186104137.db2.gz IVHJWUOMRHLVFS-IWFSCCEWSA-N 1 0 255.186 2.010 10 0 CEAERO CCC[NH2+][C@H]1CCCN([C@@H](C)c2c(C)noc2C)C1=O ZINC000092342006 180365665 /nfs/dbraw/zinc/36/56/65/180365665.db2.gz JMMXBQKQIVMLCD-AAEUAGOBSA-N 1 0 279.384 2.343 10 0 CEAERO CC[N@H+](CC(N)=S)Cc1ccnc2ccccc12 ZINC000092347796 180366975 /nfs/dbraw/zinc/36/69/75/180366975.db2.gz KLAGUXIXETYLCE-UHFFFAOYSA-N 1 0 259.378 2.343 10 0 CEAERO CC(C)([NH3+])c1cn(Cc2ccnc3ccccc23)nn1 ZINC000092364613 180368314 /nfs/dbraw/zinc/36/83/14/180368314.db2.gz SIGBJIIJQWDUPK-UHFFFAOYSA-N 1 0 267.336 2.068 10 0 CEAERO C[C@@H]1CC[C@@H](C[NH3+])CN1Cc1cccc(Cl)n1 ZINC000092366829 180368922 /nfs/dbraw/zinc/36/89/22/180368922.db2.gz DXIYLLFUQMTMOP-MNOVXSKESA-N 1 0 253.777 2.294 10 0 CEAERO CC[C@@H]1CN(Cc2cccc(Cl)n2)CC[N@@H+]1C ZINC000092366539 180369394 /nfs/dbraw/zinc/36/93/94/180369394.db2.gz DNXUPJAFLPMGME-GFCCVEGCSA-N 1 0 253.777 2.261 10 0 CEAERO CCNc1cccc(CN2CC[N@H+](C)[C@@H](CC)C2)n1 ZINC000092370808 180369974 /nfs/dbraw/zinc/36/99/74/180369974.db2.gz PKXUMQPJIDGMRA-AWEZNQCLSA-N 1 0 262.401 2.039 10 0 CEAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000106425168 186116142 /nfs/dbraw/zinc/11/61/42/186116142.db2.gz UMUKDRSIKPKJTA-OAHLLOKOSA-N 1 0 260.381 2.218 10 0 CEAERO CC(C)[C@H](CO)Nc1nc2ccccc2cc1C[NH3+] ZINC000092391540 180375279 /nfs/dbraw/zinc/37/52/79/180375279.db2.gz GYRDUUVCXQPCLF-AWEZNQCLSA-N 1 0 259.353 2.122 10 0 CEAERO C[NH2+][C@@H]1c2cc(OC)ccc2CC[C@@H]1SCC(=O)OC ZINC000092389425 180375596 /nfs/dbraw/zinc/37/55/96/180375596.db2.gz QAWQUAOOFPGTJE-DZGCQCFKSA-N 1 0 295.404 2.177 10 0 CEAERO CCOc1cccc(C[NH2+][C@H](CO)C(C)C)c1OC ZINC000092392017 180376162 /nfs/dbraw/zinc/37/61/62/180376162.db2.gz HRASXACDZRDAKK-CYBMUJFWSA-N 1 0 267.369 2.200 10 0 CEAERO CCc1[nH+]c(-c2ccc3c(c2)OCCCO3)c(N)n1C ZINC000106832944 186139032 /nfs/dbraw/zinc/13/90/32/186139032.db2.gz AAHMJNAEVMXKEJ-UHFFFAOYSA-N 1 0 273.336 2.393 10 0 CEAERO C[NH2+]CC(=O)NCc1ccc(SC(C)C)cc1 ZINC000107295612 186167638 /nfs/dbraw/zinc/16/76/38/186167638.db2.gz CMXMWYAPHPCLEN-UHFFFAOYSA-N 1 0 252.383 2.023 10 0 CEAERO COc1cc(C)c(C(=O)C[NH2+]C(C)C)cc1OC ZINC000107295081 186168693 /nfs/dbraw/zinc/16/86/93/186168693.db2.gz OAWOPPBHVPVTJN-UHFFFAOYSA-N 1 0 251.326 2.193 10 0 CEAERO CC(C)CN(CC(F)(F)F)C(=O)C[NH2+]C(C)(C)C ZINC000107800469 186191437 /nfs/dbraw/zinc/19/14/37/186191437.db2.gz GOSLHYIXHJRASJ-UHFFFAOYSA-N 1 0 268.323 2.421 10 0 CEAERO COc1cccc(-c2cn3c(n2)[C@H](C)C[C@@H]([NH3+])C3)c1 ZINC000107827674 186194777 /nfs/dbraw/zinc/19/47/77/186194777.db2.gz QAPNXILXFLRADG-ZYHUDNBSSA-N 1 0 257.337 2.393 10 0 CEAERO O=C(CC[N@H+]1[C@@H]2CC[C@H]1CC(O)C2)Nc1ccccc1 ZINC000107927658 186198454 /nfs/dbraw/zinc/19/84/54/186198454.db2.gz FNRCWSYRWVEXIY-YIONKMFJSA-N 1 0 274.364 2.003 10 0 CEAERO C[C@H](C(=O)Nc1ccccc1)[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000107926362 186198631 /nfs/dbraw/zinc/19/86/31/186198631.db2.gz KPTULJFALCDZAS-SQPSOYEMSA-N 1 0 274.364 2.001 10 0 CEAERO CC(C)COc1nc(N(C)C[C@H]2CCC[N@@H+]2C)ccc1N ZINC000092623511 180416905 /nfs/dbraw/zinc/41/69/05/180416905.db2.gz CQXQDRLWUXNBHL-CYBMUJFWSA-N 1 0 292.427 2.229 10 0 CEAERO O[C@H](C[NH2+]CC1(O)CCCCC1)c1ccc(F)c(F)c1 ZINC000109122100 186244137 /nfs/dbraw/zinc/24/41/37/186244137.db2.gz GOMGGUPRYZLYMB-CQSZACIVSA-N 1 0 285.334 2.283 10 0 CEAERO CC[C@@H](C)N1C(=O)C[C@@H]([NH2+][C@@H](C)Cc2ccccc2)C1=O ZINC000108859485 186233233 /nfs/dbraw/zinc/23/32/33/186233233.db2.gz MBYRXGGHLWUDOB-GZBFAFLISA-N 1 0 288.391 2.133 10 0 CEAERO CCC[C@@H](Cc1nc(-c2cccnc2)no1)[NH2+]CC ZINC000109495297 186256373 /nfs/dbraw/zinc/25/63/73/186256373.db2.gz JLCIHANNNWPZKV-LBPRGKRZSA-N 1 0 260.341 2.452 10 0 CEAERO C[NH2+][C@@H]1CCCC[C@@H]1c1nc(-c2ccncc2)no1 ZINC000109498446 186256508 /nfs/dbraw/zinc/25/65/08/186256508.db2.gz YIWMBLCGRKAWKZ-NWDGAFQWSA-N 1 0 258.325 2.377 10 0 CEAERO CC[NH2+][C@@H](COC)Cc1nc(-c2ccc(C)cc2)no1 ZINC000109496747 186256958 /nfs/dbraw/zinc/25/69/58/186256958.db2.gz ISKRFLJMDYDNDU-CYBMUJFWSA-N 1 0 275.352 2.212 10 0 CEAERO C[NH2+][C@@H](Cc1nc(-c2cccc(OC)c2)no1)C1CC1 ZINC000109504149 186257387 /nfs/dbraw/zinc/25/73/87/186257387.db2.gz FOXCLYRGGQRBLJ-ZDUSSCGKSA-N 1 0 273.336 2.286 10 0 CEAERO C[NH2+][C@H](COC)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000109502140 186257564 /nfs/dbraw/zinc/25/75/64/186257564.db2.gz NZXHMIPMCVGCSW-NSHDSACASA-N 1 0 281.743 2.167 10 0 CEAERO C[NH2+][C@@H](C)[C@@H](c1nc(Cc2ccncc2)no1)C(C)C ZINC000109509220 186258248 /nfs/dbraw/zinc/25/82/48/186258248.db2.gz REULETQANUAMCS-FZMZJTMJSA-N 1 0 274.368 2.403 10 0 CEAERO CC[C@H](Cc1nc(COc2ccccc2)no1)[NH2+]C ZINC000109509430 186258254 /nfs/dbraw/zinc/25/82/54/186258254.db2.gz DYPGVAXUPPFUBD-LLVKDONJSA-N 1 0 261.325 2.189 10 0 CEAERO COC[C@H]([NH3+])Cc1nc([C@H]2CCCc3ccccc32)no1 ZINC000109514933 186258473 /nfs/dbraw/zinc/25/84/73/186258473.db2.gz YCFAKEJFIKQIGK-OCCSQVGLSA-N 1 0 287.363 2.054 10 0 CEAERO [NH3+][C@H]1CCCCC[C@H]1c1nc(Cc2ccncc2)no1 ZINC000109508925 186258585 /nfs/dbraw/zinc/25/85/85/186258585.db2.gz GQZWCJJYYFTHPL-OLZOCXBDSA-N 1 0 272.352 2.430 10 0 CEAERO C[NH2+][C@H](Cc1nc(Cc2ccc(OC)cc2)no1)C1CC1 ZINC000109520908 186258752 /nfs/dbraw/zinc/25/87/52/186258752.db2.gz FSHCPVAZOJLPRB-CQSZACIVSA-N 1 0 287.363 2.210 10 0 CEAERO CCCOCc1noc([C@H]2CCCCC[C@@H]2[NH3+])n1 ZINC000109519634 186259422 /nfs/dbraw/zinc/25/94/22/186259422.db2.gz GOUHGCPNWWTIGG-QWRGUYRKSA-N 1 0 253.346 2.371 10 0 CEAERO COc1cc(OC)cc(-c2nc(C3CC3)cc(NN)[nH+]2)c1 ZINC000109528167 186259779 /nfs/dbraw/zinc/25/97/79/186259779.db2.gz LSNRYOSRWXGZGG-UHFFFAOYSA-N 1 0 286.335 2.324 10 0 CEAERO COc1ccccc1C(=O)NCc1ccc(C[NH3+])cc1F ZINC000109540196 186260479 /nfs/dbraw/zinc/26/04/79/186260479.db2.gz AAWLDYCDCLRIES-UHFFFAOYSA-N 1 0 288.322 2.223 10 0 CEAERO [NH3+]Cc1ccc(CNC(=O)c2ccc(F)cc2F)c(F)c1 ZINC000109540135 186261095 /nfs/dbraw/zinc/26/10/95/186261095.db2.gz YTMUJELHQQYVFA-UHFFFAOYSA-N 1 0 294.276 2.493 10 0 CEAERO C[NH2+][C@@H]1c2ccc(Oc3cccnc3)cc2NC1=O ZINC000109575651 186263605 /nfs/dbraw/zinc/26/36/05/186263605.db2.gz VFLKSNUTPBAZPH-CYBMUJFWSA-N 1 0 255.277 2.087 10 0 CEAERO CCC[NH2+][C@@H]1c2ccc(OCC3CC3)cc2NC1=O ZINC000109573451 186263742 /nfs/dbraw/zinc/26/37/42/186263742.db2.gz YGDCBMJFAPPVHC-CQSZACIVSA-N 1 0 260.337 2.468 10 0 CEAERO C[N@@H+]1CCCN(c2cc(C(=O)[O-])nc3ccccc32)CC1 ZINC000109587239 186264240 /nfs/dbraw/zinc/26/42/40/186264240.db2.gz QZCLEMKECJHTHC-UHFFFAOYSA-N 1 0 285.347 2.075 10 0 CEAERO [NH3+]Cc1cc(OCC2CCOCC2)c2ccccc2n1 ZINC000109590782 186265216 /nfs/dbraw/zinc/26/52/16/186265216.db2.gz NNRXRDRRKDKEHS-UHFFFAOYSA-N 1 0 272.348 2.499 10 0 CEAERO C[NH+](C)C[C@@H]1CCCN1C(=S)NCc1ccccc1 ZINC000109671217 186269285 /nfs/dbraw/zinc/26/92/85/186269285.db2.gz GSYRFVDPOFCPEF-AWEZNQCLSA-N 1 0 277.437 2.087 10 0 CEAERO Cc1cc(C)c([C@@H](C)[NH2+]CCc2nncn2C)c(C)n1 ZINC000109422532 186251282 /nfs/dbraw/zinc/25/12/82/186251282.db2.gz XMYSULZPMDVYEY-GFCCVEGCSA-N 1 0 273.384 2.029 10 0 CEAERO C[C@@H](CC[NH2+]CCc1nncn1C)c1ccccc1 ZINC000109422864 186252103 /nfs/dbraw/zinc/25/21/03/186252103.db2.gz QXDHMSSEDFWVHC-ZDUSSCGKSA-N 1 0 258.369 2.141 10 0 CEAERO CCC[C@@H](C[NH3+])N1CCN(C(=O)CC2CCCCC2)CC1 ZINC000109449265 186253122 /nfs/dbraw/zinc/25/31/22/186253122.db2.gz KYYRZTVYUORKFQ-INIZCTEOSA-N 1 0 295.471 2.228 10 0 CEAERO CCC[C@@H](C[NH3+])N1CCN(Cc2ccc(F)cc2F)CC1 ZINC000109461760 186253717 /nfs/dbraw/zinc/25/37/17/186253717.db2.gz JUGMOPLCTPZYES-HNNXBMFYSA-N 1 0 297.393 2.210 10 0 CEAERO Cc1ccc(C)c(CN2CC[NH+]([C@H](C)C(N)=S)CC2)c1 ZINC000109467957 186254274 /nfs/dbraw/zinc/25/42/74/186254274.db2.gz RGLZHZUFKDSNTG-CQSZACIVSA-N 1 0 291.464 2.096 10 0 CEAERO CCC[C@@H](c1nc(CC)cc(CC)n1)N1CC[NH2+]CC1 ZINC000109475981 186254698 /nfs/dbraw/zinc/25/46/98/186254698.db2.gz ISMLFQLPAIWDAF-HNNXBMFYSA-N 1 0 276.428 2.348 10 0 CEAERO CCC[C@H](c1noc(-c2ccco2)n1)N1CC[NH2+]CC1 ZINC000109475003 186254753 /nfs/dbraw/zinc/25/47/53/186254753.db2.gz XVVDGAZTHRANJZ-LLVKDONJSA-N 1 0 276.340 2.076 10 0 CEAERO CC[C@@H](c1noc(-c2cccc(F)c2)n1)N1CC[NH2+]CC1 ZINC000109474609 186254801 /nfs/dbraw/zinc/25/48/01/186254801.db2.gz PYXKDPKYKLJMRT-ZDUSSCGKSA-N 1 0 290.342 2.232 10 0 CEAERO CC[C@H](c1noc(-c2ccc(F)cc2)n1)N1CC[NH2+]CC1 ZINC000109474566 186255004 /nfs/dbraw/zinc/25/50/04/186255004.db2.gz MIOHIQLIFAQEAG-CYBMUJFWSA-N 1 0 290.342 2.232 10 0 CEAERO CC[C@@H](c1noc(-c2ccccc2F)n1)N1CC[NH2+]CC1 ZINC000109474580 186255307 /nfs/dbraw/zinc/25/53/07/186255307.db2.gz NANSLOQHXMNNHY-ZDUSSCGKSA-N 1 0 290.342 2.232 10 0 CEAERO CCC(CC)[NH2+]C[C@H](C)Sc1nnc(C)n1C ZINC000110250169 186288361 /nfs/dbraw/zinc/28/83/61/186288361.db2.gz IGRAUKWKNQQZGS-VIFPVBQESA-N 1 0 256.419 2.382 10 0 CEAERO CCC(C)(C)[NH2+]C[C@@H](C)Sc1nnc(C)n1C ZINC000110250162 186288450 /nfs/dbraw/zinc/28/84/50/186288450.db2.gz YBHXNYBZQCWUIC-SECBINFHSA-N 1 0 256.419 2.382 10 0 CEAERO NC(=S)c1ccccc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000110278582 186289432 /nfs/dbraw/zinc/28/94/32/186289432.db2.gz FMBINLFVUJCRLJ-ZDUSSCGKSA-N 1 0 289.448 2.385 10 0 CEAERO C[NH+](C)[C@H]1CCN(c2ccc(C(N)=S)cc2Cl)C1 ZINC000110278324 186289757 /nfs/dbraw/zinc/28/97/57/186289757.db2.gz KKLJPPKLQPBWEO-JTQLQIEISA-N 1 0 283.828 2.115 10 0 CEAERO Cc1ccc([C@H](Sc2nnc(C)n2C)[C@H](C)[NH3+])o1 ZINC000110353539 186293868 /nfs/dbraw/zinc/29/38/68/186293868.db2.gz MSWDPUYDRALEHA-GZMMTYOYSA-N 1 0 266.370 2.206 10 0 CEAERO Cc1ccc([C@@H](C[NH3+])Sc2nnc(C)n2C)s1 ZINC000110353452 186293959 /nfs/dbraw/zinc/29/39/59/186293959.db2.gz UPISEFBFQGQBNE-SNVBAGLBSA-N 1 0 268.411 2.286 10 0 CEAERO C[NH2+][C@H]1CCCc2nc(-c3cccc(C)n3)ncc21 ZINC000110475614 186297838 /nfs/dbraw/zinc/29/78/38/186297838.db2.gz FTCBAWXPSWJFEE-LBPRGKRZSA-N 1 0 254.337 2.444 10 0 CEAERO CC[C@H]([NH3+])[C@H](C)c1nc(COc2ccccc2)no1 ZINC000110470195 186298393 /nfs/dbraw/zinc/29/83/93/186298393.db2.gz CPUXGGVDRMSKRH-JQWIXIFHSA-N 1 0 261.325 2.489 10 0 CEAERO CC[NH2+][C@@H](CO[C@@H]1CCOC1)c1cc(C)ccc1OC ZINC000110526459 186300813 /nfs/dbraw/zinc/30/08/13/186300813.db2.gz ZVTLXRXPASHWQB-HIFRSBDPSA-N 1 0 279.380 2.460 10 0 CEAERO CC[NH2+][C@H](CO[C@H]1CCOC1)c1ccc(OC)cc1 ZINC000110526241 186301145 /nfs/dbraw/zinc/30/11/45/186301145.db2.gz MLAKGJMUJOADMW-LSDHHAIUSA-N 1 0 265.353 2.151 10 0 CEAERO CCOc1ccc([C@@H](C)[NH3+])cc1CO[C@@H]1CCOC1 ZINC000110526929 186301257 /nfs/dbraw/zinc/30/12/57/186301257.db2.gz NLPAIUGTWVBMHH-BXUZGUMPSA-N 1 0 265.353 2.411 10 0 CEAERO CCC[NH2+][C@@H](Cc1nc(C)cs1)[C@H]1CCOC1 ZINC000110533891 186301628 /nfs/dbraw/zinc/30/16/28/186301628.db2.gz UDQXMSBOKAXCDS-RYUDHWBXSA-N 1 0 254.399 2.399 10 0 CEAERO CC(C)[NH2+]Cc1cnc(O[C@H]2CCOC2)c(Cl)c1 ZINC000110532687 186301918 /nfs/dbraw/zinc/30/19/18/186301918.db2.gz XYDMOXJIIGROKR-NSHDSACASA-N 1 0 270.760 2.401 10 0 CEAERO Fc1cccc([C@@H](C[NH2+]C2CC2)O[C@@H]2CCOC2)c1 ZINC000110529524 186302042 /nfs/dbraw/zinc/30/20/42/186302042.db2.gz JVXLTZIIONHZQC-HUUCEWRRSA-N 1 0 265.328 2.424 10 0 CEAERO [NH3+]Cc1ccc(CC(=O)NCc2ccc(F)cc2)cc1 ZINC000110611682 186305387 /nfs/dbraw/zinc/30/53/87/186305387.db2.gz LEGCIUBNEGVDBQ-UHFFFAOYSA-N 1 0 272.323 2.143 10 0 CEAERO O=C(NCC[C@H]1CC[NH2+]C1)NC12CC3CC(CC(C3)C1)C2 ZINC000110796672 186325831 /nfs/dbraw/zinc/32/58/31/186325831.db2.gz XCYHHPIDWBWYGK-JISDDCRVSA-N 1 0 291.439 2.254 10 0 CEAERO C[NH2+][C@@](C)(CCCC[N@@H+]1CCC[C@@H](C)CC1)C(=O)[O-] ZINC000110809696 186326824 /nfs/dbraw/zinc/32/68/24/186326824.db2.gz SDRURJXFAOAUNJ-HIFRSBDPSA-N 1 0 270.417 2.341 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1cnccn1)c1cccnc1 ZINC000110913172 186332555 /nfs/dbraw/zinc/33/25/55/186332555.db2.gz LSBYDOIMJAGCMD-WCQYABFASA-N 1 0 260.366 2.442 10 0 CEAERO Cc1cccc(-c2nnc(CN(C)[C@@H]3CCC[NH2+]C3)o2)c1 ZINC000110928767 186333796 /nfs/dbraw/zinc/33/37/96/186333796.db2.gz SBXSMPWOCXHEHQ-CQSZACIVSA-N 1 0 286.379 2.229 10 0 CEAERO CC(C)[C@@H](CNCc1n[nH]nc1-c1ccccc1)[NH+](C)C ZINC000110924449 186333814 /nfs/dbraw/zinc/33/38/14/186333814.db2.gz CSEUIJZXVXQLCA-OAHLLOKOSA-N 1 0 287.411 2.148 10 0 CEAERO CN(CC(=O)Nc1ccc(F)c(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000110930256 186333997 /nfs/dbraw/zinc/33/39/97/186333997.db2.gz WPUBHYBOYABODX-NSHDSACASA-N 1 0 299.777 2.101 10 0 CEAERO CCN(C(=O)CSC(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000110939672 186334134 /nfs/dbraw/zinc/33/41/34/186334134.db2.gz JBBLKQQPKVKTPX-LLVKDONJSA-N 1 0 258.431 2.119 10 0 CEAERO CCN(CC(=O)Nc1ccc(C)cc1C)[C@@H]1CCC[NH2+]C1 ZINC000110942736 186334219 /nfs/dbraw/zinc/33/42/19/186334219.db2.gz MLAWKECEHUMGGN-OAHLLOKOSA-N 1 0 289.423 2.316 10 0 CEAERO CCN(Cc1ccc(NC(C)=O)cc1)[C@@H]1CCC[NH2+]C1 ZINC000110936311 186334988 /nfs/dbraw/zinc/33/49/88/186334988.db2.gz UOXZHIFDDARKRX-MRXNPFEDSA-N 1 0 275.396 2.219 10 0 CEAERO CCCN(Cc1occc1C(=O)OCC)[C@H]1CCC[NH2+]C1 ZINC000110945741 186335304 /nfs/dbraw/zinc/33/53/04/186335304.db2.gz XHEQEZIXOVRRMH-ZDUSSCGKSA-N 1 0 294.395 2.420 10 0 CEAERO CCN(Cc1cccc(C(=O)OC)c1)[C@@H]1CCC[NH2+]C1 ZINC000110943471 186335526 /nfs/dbraw/zinc/33/55/26/186335526.db2.gz UZRGAELLNOVPDE-OAHLLOKOSA-N 1 0 276.380 2.047 10 0 CEAERO CCN(CC(=O)N(CC)c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000110943537 186335886 /nfs/dbraw/zinc/33/58/86/186335886.db2.gz OPAUDYKRILTXPY-INIZCTEOSA-N 1 0 289.423 2.113 10 0 CEAERO CCN(Cc1ccnc(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000110943831 186335947 /nfs/dbraw/zinc/33/59/47/186335947.db2.gz BISBJPBINYYNLG-LBPRGKRZSA-N 1 0 253.777 2.309 10 0 CEAERO CCN(c1ccc(C(N)=O)c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000110947185 186335955 /nfs/dbraw/zinc/33/59/55/186335955.db2.gz DQTKLAOXKSUWLP-LLVKDONJSA-N 1 0 281.787 2.017 10 0 CEAERO CCCN(c1ccc(C(N)=O)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000110948392 186336039 /nfs/dbraw/zinc/33/60/39/186336039.db2.gz DONDFIKLBWPVDG-LBPRGKRZSA-N 1 0 295.814 2.407 10 0 CEAERO Cc1ccc([C@@H](C)[NH3+])c(OCCC(=O)NC(C)C)c1 ZINC000110958437 186336534 /nfs/dbraw/zinc/33/65/34/186336534.db2.gz DIVSRYKGGOBGJS-GFCCVEGCSA-N 1 0 264.369 2.308 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(C)cc1OCC(=O)N1CCCC1 ZINC000110960375 186336822 /nfs/dbraw/zinc/33/68/22/186336822.db2.gz PZMPKXWEKLYHHM-ZDUSSCGKSA-N 1 0 276.380 2.277 10 0 CEAERO CC[C@@H]1CN(C(=O)Nc2ccc(C(C)=O)cc2)CC[N@@H+]1C ZINC000110694629 186312936 /nfs/dbraw/zinc/31/29/36/186312936.db2.gz BRHIXIWYYXOMHW-OAHLLOKOSA-N 1 0 289.379 2.447 10 0 CEAERO CC[N@@H+]1CCN(C(=O)c2ccc(NC)c(C)c2)C[C@H]1C ZINC000110696673 186314962 /nfs/dbraw/zinc/31/49/62/186314962.db2.gz UUWASHHGEHQEOB-CYBMUJFWSA-N 1 0 275.396 2.203 10 0 CEAERO CN1CC[N@H+](C[C@@H]2CCCCCC2=O)CC1(C)C ZINC000110744180 186318522 /nfs/dbraw/zinc/31/85/22/186318522.db2.gz PWNAJDNVYJWQIK-ZDUSSCGKSA-N 1 0 252.402 2.162 10 0 CEAERO C[C@H]([C@H](O)c1ccccc1)[N@@H+]1CCN(C)C(C)(C)C1 ZINC000110736565 186318690 /nfs/dbraw/zinc/31/86/90/186318690.db2.gz FLTXLUCMNHSJPU-HIFRSBDPSA-N 1 0 262.397 2.135 10 0 CEAERO CC[N@@H+]1CCN(CCNc2cccc(C)c2)C[C@@H]1C ZINC000110756967 186321682 /nfs/dbraw/zinc/32/16/82/186321682.db2.gz BSUVINOYTIFYOF-HNNXBMFYSA-N 1 0 261.413 2.433 10 0 CEAERO CCOC(=O)c1cc(C)sc1NC(=O)C[NH2+]C(C)C ZINC000110777835 186324393 /nfs/dbraw/zinc/32/43/93/186324393.db2.gz UNUDGVUKSPOKIS-UHFFFAOYSA-N 1 0 284.381 2.170 10 0 CEAERO CCOc1cc(N(C)[C@H]2CCC[N@H+](C)C2)ccc1N ZINC000111055655 186348871 /nfs/dbraw/zinc/34/88/71/186348871.db2.gz HSGREXHYTBMVQR-ZDUSSCGKSA-N 1 0 263.385 2.198 10 0 CEAERO COc1cc(NC[C@H]2CC[N@@H+](C(C)C)C2)ccc1N ZINC000111054755 186349144 /nfs/dbraw/zinc/34/91/44/186349144.db2.gz CUEPRRKHSRHXET-GFCCVEGCSA-N 1 0 263.385 2.420 10 0 CEAERO O[C@H]1C[NH2+]C[C@@H]1N(Cc1ccccc1)Cc1ccccc1 ZINC000111059476 186349160 /nfs/dbraw/zinc/34/91/60/186349160.db2.gz POYWMLPKXPAPGP-ROUUACIJSA-N 1 0 282.387 2.022 10 0 CEAERO CS(=O)(=O)CCS[C@H](C[NH3+])c1ccccc1Cl ZINC000111003974 186341634 /nfs/dbraw/zinc/34/16/34/186341634.db2.gz PNRZKVJISMPDKE-LLVKDONJSA-N 1 0 293.841 2.118 10 0 CEAERO CC(C)CC[C@H](C)[NH2+]CCSCCS(C)(=O)=O ZINC000111007342 186342274 /nfs/dbraw/zinc/34/22/74/186342274.db2.gz BWAPDKCAXLYMRH-LBPRGKRZSA-N 1 0 281.487 2.179 10 0 CEAERO NC(=O)c1cc(F)ccc1Nc1cccc(OCC[NH3+])c1 ZINC000111027426 186345741 /nfs/dbraw/zinc/34/57/41/186345741.db2.gz YFHFSBWIVWJGMK-UHFFFAOYSA-N 1 0 289.310 2.006 10 0 CEAERO NC(=[NH2+])c1cc(F)ccc1-n1ncc2ccccc21 ZINC000111034945 186347252 /nfs/dbraw/zinc/34/72/52/186347252.db2.gz FABCETKQMAQBTL-UHFFFAOYSA-N 1 0 254.268 2.449 10 0 CEAERO CN(CC1CC[NH+](C)CC1)c1ccc(F)cc1C(N)=S ZINC000111032915 186347276 /nfs/dbraw/zinc/34/72/76/186347276.db2.gz ADKBDQRHROENAR-UHFFFAOYSA-N 1 0 295.427 2.238 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1cccs1)N(C)C[C@@H]1CCCOC1 ZINC000111154650 186360806 /nfs/dbraw/zinc/36/08/06/186360806.db2.gz ZGYDEEDUDOMXNM-MBNYWOFBSA-N 1 0 268.426 2.495 10 0 CEAERO COc1ccc([C@@H]([C@H](C)N)[N@H+](C)CC2CCOCC2)cc1 ZINC000111156247 186361757 /nfs/dbraw/zinc/36/17/57/186361757.db2.gz MBRFBOXSRHTNRD-SUMWQHHRSA-N 1 0 292.423 2.442 10 0 CEAERO Cc1ccc([C@@H]([C@H](C)[NH3+])N(C)CC2CCOCC2)o1 ZINC000111156275 186362538 /nfs/dbraw/zinc/36/25/38/186362538.db2.gz WQLOOBSXFJJUJP-SWLSCSKDSA-N 1 0 266.385 2.335 10 0 CEAERO CCC[NH2+][C@@H]1CCC[C@H]1N(C)C[C@@H]1CCCOC1 ZINC000111160599 186362551 /nfs/dbraw/zinc/36/25/51/186362551.db2.gz FAJKZQIXTNLWJM-RRFJBIMHSA-N 1 0 254.418 2.266 10 0 CEAERO CCC(CC)NC(=O)C[NH2+]C[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000111086582 186351419 /nfs/dbraw/zinc/35/14/19/186351419.db2.gz SDUZSFBKPLIQIN-YNEHKIRRSA-N 1 0 252.402 2.317 10 0 CEAERO CC[NH2+][C@H]1c2ccc(Sc3ccncn3)cc2NC1=O ZINC000111114545 186354056 /nfs/dbraw/zinc/35/40/56/186354056.db2.gz BKPMXOXRLZMIEP-ZDUSSCGKSA-N 1 0 286.360 2.231 10 0 CEAERO CCOCCN(CC)[C@@H](c1ccc(C)o1)[C@@H](C)[NH3+] ZINC000111116834 186354835 /nfs/dbraw/zinc/35/48/35/186354835.db2.gz OFRUSBJXYZBRTR-TZMCWYRMSA-N 1 0 254.374 2.335 10 0 CEAERO CCC[NH2+]Cc1ccc(N(CC)CCOCC)nc1 ZINC000111123426 186355297 /nfs/dbraw/zinc/35/52/97/186355297.db2.gz QXMYUPGLPOJICL-UHFFFAOYSA-N 1 0 265.401 2.444 10 0 CEAERO C[NH2+]CCCc1nnc([C@@H]2CCOc3ccccc32)o1 ZINC000111189566 186367745 /nfs/dbraw/zinc/36/77/45/186367745.db2.gz RJCJZBDIJHPQLD-GFCCVEGCSA-N 1 0 273.336 2.136 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCOc2ccccc21 ZINC000111189018 186368024 /nfs/dbraw/zinc/36/80/24/186368024.db2.gz UXEGUPRZLCVKMT-UKRRQHHQSA-N 1 0 288.391 2.153 10 0 CEAERO C[C@H](CNCc1ccco1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111176468 186365038 /nfs/dbraw/zinc/36/50/38/186365038.db2.gz NBOVINXNXUGAMV-KGLIPLIRSA-N 1 0 266.385 2.116 10 0 CEAERO CCC[C@@]1(C(=O)N(C)CC2CCOCC2)CCC[NH2+]C1 ZINC000111174118 186365377 /nfs/dbraw/zinc/36/53/77/186365377.db2.gz LIGZAFBBTWGJLK-MRXNPFEDSA-N 1 0 282.428 2.041 10 0 CEAERO C[N@H+](C[C@@H]1CCCOC1)C[C@@](C)(CO)c1ccccc1 ZINC000111173207 186365891 /nfs/dbraw/zinc/36/58/91/186365891.db2.gz NPZRJIQTKDGQFV-RDJZCZTQSA-N 1 0 277.408 2.295 10 0 CEAERO C[N@H+](CC1CCOCC1)C[C@@](C)(N)c1ccccc1 ZINC000111179367 186366797 /nfs/dbraw/zinc/36/67/97/186366797.db2.gz WMWZLSNTOCOSRI-MRXNPFEDSA-N 1 0 262.397 2.219 10 0 CEAERO C[NH2+]C[C@]1(CN2CCc3ccccc32)CCCOC1 ZINC000111323495 186396528 /nfs/dbraw/zinc/39/65/28/186396528.db2.gz NLXDAAWCFSIXHH-INIZCTEOSA-N 1 0 260.381 2.065 10 0 CEAERO C[NH2+][C@@H](c1nc2c(s1)CCC2)[C@@H]1CCCOC1 ZINC000111322186 186396958 /nfs/dbraw/zinc/39/69/58/186396958.db2.gz QQDFSGAMSFGOEU-BXKDBHETSA-N 1 0 252.383 2.319 10 0 CEAERO C[N@H+]([C@@H](CN)[C@@H]1CCCOC1)C1CCCCCC1 ZINC000111320739 186397022 /nfs/dbraw/zinc/39/70/22/186397022.db2.gz SQDAZKRTGYDNJF-HIFRSBDPSA-N 1 0 254.418 2.395 10 0 CEAERO CC[NH2+]C[C@]1(CN2CCc3ccccc32)CCCOC1 ZINC000111323481 186397374 /nfs/dbraw/zinc/39/73/74/186397374.db2.gz ZKUGJOCONMOIMG-KRWDZBQOSA-N 1 0 274.408 2.455 10 0 CEAERO CC1CCC([N@H+](C)[C@H](CN)[C@@H]2CCCOC2)CC1 ZINC000111320885 186397568 /nfs/dbraw/zinc/39/75/68/186397568.db2.gz USLAZOBZZRNQSV-HXSCFSKGSA-N 1 0 254.418 2.251 10 0 CEAERO CN(Cc1ccccc1F)[C@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111320799 186397642 /nfs/dbraw/zinc/39/76/42/186397642.db2.gz KVYQRMVFPJLWFM-UKRRQHHQSA-N 1 0 266.360 2.011 10 0 CEAERO CCC[C@@]1(c2nc3cccnc3n2C)CCC[NH2+]C1 ZINC000111348525 186403162 /nfs/dbraw/zinc/40/31/62/186403162.db2.gz KMKWPYXRGZHGHR-OAHLLOKOSA-N 1 0 258.369 2.390 10 0 CEAERO O=C(Nc1c(F)cccc1F)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111243459 186374259 /nfs/dbraw/zinc/37/42/59/186374259.db2.gz NBNVMMDIOJZKSP-LLVKDONJSA-N 1 0 294.223 2.445 10 0 CEAERO C[C@H](NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)c1ccsc1 ZINC000111247097 186375781 /nfs/dbraw/zinc/37/57/81/186375781.db2.gz RPNUHXKXUUCTQZ-GZMMTYOYSA-N 1 0 292.326 2.467 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1c1nc(C2(c3ccccc3)CC2)no1 ZINC000111256767 186379849 /nfs/dbraw/zinc/37/98/49/186379849.db2.gz MBHZRNRSBUQSKD-YPMHNXCESA-N 1 0 269.348 2.472 10 0 CEAERO CC(C)[C@@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1C)c1ccc(F)cc1 ZINC000111265241 186381164 /nfs/dbraw/zinc/38/11/64/186381164.db2.gz ZLXVMFILYFAOBO-TUKIKUTGSA-N 1 0 278.371 2.495 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000111268093 186382851 /nfs/dbraw/zinc/38/28/51/186382851.db2.gz XIVBDZLPOADISU-APHBMKBZSA-N 1 0 272.392 2.378 10 0 CEAERO CC(C)C(=O)Nc1cccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2C)c1 ZINC000111266422 186383221 /nfs/dbraw/zinc/38/32/21/186383221.db2.gz OTNTXLAXPYCVHI-FZMZJTMJSA-N 1 0 289.379 2.075 10 0 CEAERO COc1ccc([C@H]2CCCN2C(=O)[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000111268041 186383492 /nfs/dbraw/zinc/38/34/92/186383492.db2.gz UNJKNGHVJJKEDF-DAXOMENPSA-N 1 0 288.391 2.214 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CCCCC[C@@H]1c1cccn1C ZINC000111268284 186383834 /nfs/dbraw/zinc/38/38/34/186383834.db2.gz APYZALRACUWMMT-IJEWVQPXSA-N 1 0 289.423 2.324 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)N1CCc2sccc2[C@@H]1C1CC1 ZINC000111268415 186384064 /nfs/dbraw/zinc/38/40/64/186384064.db2.gz AFWAUBNKCKKLFA-ZBINZKHDSA-N 1 0 290.432 2.439 10 0 CEAERO Cc1ccc(CN(C(=O)[C@H]2C[NH2+]C[C@@H]2C)C(C)C)o1 ZINC000111269312 186384353 /nfs/dbraw/zinc/38/43/53/186384353.db2.gz OUTYQVYEKZDAQD-FZMZJTMJSA-N 1 0 264.369 2.181 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)N(Cc1ccco1)C1CCCC1 ZINC000111268772 186384547 /nfs/dbraw/zinc/38/45/47/186384547.db2.gz HSHVTXMDVAICQU-SWLSCSKDSA-N 1 0 276.380 2.406 10 0 CEAERO C[C@H](C[NH+]1CCCC1)NC(=O)c1ccc2[nH]ccc2c1 ZINC000111277442 186386703 /nfs/dbraw/zinc/38/67/03/186386703.db2.gz GBKBEXXSZIARNS-GFCCVEGCSA-N 1 0 271.364 2.382 10 0 CEAERO Cc1nc(Cl)c(C)c(NC[C@H]2CC[N@@H+](C)C2)n1 ZINC000111296641 186393047 /nfs/dbraw/zinc/39/30/47/186393047.db2.gz WZYSZSLELSHYTB-SNVBAGLBSA-N 1 0 254.765 2.110 10 0 CEAERO CC[C@@]1(c2nc(-c3cc(C)ccn3)no2)CCC[NH2+]C1 ZINC000111679421 186440031 /nfs/dbraw/zinc/44/00/31/186440031.db2.gz YEEBNKABDXLONY-OAHLLOKOSA-N 1 0 272.352 2.471 10 0 CEAERO CCOCCC[NH2+]C[C@H](C)N(C)Cc1scnc1C ZINC000111677171 186440089 /nfs/dbraw/zinc/44/00/89/186440089.db2.gz CKYCSETXAARPRH-LBPRGKRZSA-N 1 0 285.457 2.288 10 0 CEAERO CCCCCNC(=O)[C@H](C)N1CCCC[C@@H]1C[NH2+]CC ZINC000111701705 186445997 /nfs/dbraw/zinc/44/59/97/186445997.db2.gz HVYNRNGJNSYELF-LSDHHAIUSA-N 1 0 283.460 2.145 10 0 CEAERO CCc1noc(CN2CCCC[C@@H]2C[NH2+]CC(C)C)n1 ZINC000111704439 186447705 /nfs/dbraw/zinc/44/77/05/186447705.db2.gz QKBOCABCUBNGNR-CYBMUJFWSA-N 1 0 280.416 2.232 10 0 CEAERO C[NH2+][C@H](C)[C@H]1CCCCN1CC(=O)Nc1ccccc1 ZINC000111711156 186449273 /nfs/dbraw/zinc/44/92/73/186449273.db2.gz RHIATYPBSCOGFW-UKRRQHHQSA-N 1 0 275.396 2.088 10 0 CEAERO CO[C@H](C(=O)NC1(C[NH3+])CCC(C)CC1)c1ccccc1 ZINC000111370328 186407726 /nfs/dbraw/zinc/40/77/26/186407726.db2.gz ORUZSURIDBSHAQ-GULBITTBSA-N 1 0 290.407 2.398 10 0 CEAERO COc1ccccc1CC(=O)N[C@]1(C[NH3+])CCC[C@H](C)C1 ZINC000111369910 186408130 /nfs/dbraw/zinc/40/81/30/186408130.db2.gz DNEABTXOKVXVLQ-SUMWQHHRSA-N 1 0 290.407 2.262 10 0 CEAERO Cc1ccc(O)c(C(=O)N2CCC[C@H]2CCC[NH3+])c1 ZINC000111370942 186408779 /nfs/dbraw/zinc/40/87/79/186408779.db2.gz WBNLTYJMWZVJBZ-GFCCVEGCSA-N 1 0 262.353 2.044 10 0 CEAERO CS(=O)(=O)c1ccc(N[C@H](C[NH3+])c2ccccc2)cc1 ZINC000111376514 186409131 /nfs/dbraw/zinc/40/91/31/186409131.db2.gz LNVFFGNJTWXABH-OAHLLOKOSA-N 1 0 290.388 2.202 10 0 CEAERO [NH3+][C@@H]1Cc2ccccc2[C@@H]1Nc1ncnc2c1CCC2 ZINC000111377326 186409840 /nfs/dbraw/zinc/40/98/40/186409840.db2.gz SXHQYSRVHIZUNB-HIFRSBDPSA-N 1 0 266.348 2.002 10 0 CEAERO Cc1cc2ncnn2c(N[C@H](C[NH3+])Cc2ccccc2)c1 ZINC000111376621 186409911 /nfs/dbraw/zinc/40/99/11/186409911.db2.gz YPOJWLQPXNTKCZ-AWEZNQCLSA-N 1 0 281.363 2.020 10 0 CEAERO CN(Cc1ccncc1Br)[C@@H]1CCC[NH2+]CC1 ZINC000629519558 351385843 /nfs/dbraw/zinc/38/58/43/351385843.db2.gz UOBMDQCAHHTVAO-GFCCVEGCSA-N 1 0 298.228 2.418 10 0 CEAERO CCN(Cc1ccoc1)C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000629600373 351428537 /nfs/dbraw/zinc/42/85/37/351428537.db2.gz VOXYTBFHAOCFCF-CQSZACIVSA-N 1 0 250.342 2.160 10 0 CEAERO C[C@@H]1CN(C(=O)C(C)(C)[C@H]2CCC[NH2+]C2)CC(C)(C)O1 ZINC000119688342 186844788 /nfs/dbraw/zinc/84/47/88/186844788.db2.gz AGQJQYADZYSGCE-OLZOCXBDSA-N 1 0 282.428 2.038 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)N[C@@H](C)c1nccn1C ZINC000070444933 363081996 /nfs/dbraw/zinc/08/19/96/363081996.db2.gz QBVVOKYRMZFSGG-QWHCGFSZSA-N 1 0 252.406 2.047 10 0 CEAERO CCCCSCCC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000121078153 186949811 /nfs/dbraw/zinc/94/98/11/186949811.db2.gz WVTUGSQBPVXBOU-GFCCVEGCSA-N 1 0 258.431 2.072 10 0 CEAERO CCc1cc(N2CCC([NH3+])CC2)nc(-c2cccnc2)n1 ZINC000070451851 363083976 /nfs/dbraw/zinc/08/39/76/363083976.db2.gz CTXKXZOVHBMNSU-UHFFFAOYSA-N 1 0 283.379 2.029 10 0 CEAERO CO[C@H]1CN(C(=O)CCC2CCCCC2)[C@](C)(C[NH3+])C1 ZINC000630360820 351711885 /nfs/dbraw/zinc/71/18/85/351711885.db2.gz IAHZRIGDGLPROK-ZBFHGGJFSA-N 1 0 282.428 2.312 10 0 CEAERO CO[C@H]1CN(CCCc2ccccc2)[C@](C)(C[NH3+])C1 ZINC000630364366 351712982 /nfs/dbraw/zinc/71/29/82/351712982.db2.gz UZVQLTMRCARUCM-CVEARBPZSA-N 1 0 262.397 2.057 10 0 CEAERO COc1ccc(Cl)cc1CN1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630364203 351713046 /nfs/dbraw/zinc/71/30/46/351713046.db2.gz QZKQAASCZRKFCI-HIFRSBDPSA-N 1 0 298.814 2.287 10 0 CEAERO CO[C@@H]1CN(CCCc2ccccc2)[C@@](C)(C[NH3+])C1 ZINC000630364369 351713553 /nfs/dbraw/zinc/71/35/53/351713553.db2.gz UZVQLTMRCARUCM-JKSUJKDBSA-N 1 0 262.397 2.057 10 0 CEAERO [NH3+][C@H]1CCCN(c2nccn3nc(-c4ccccc4)cc23)C1 ZINC000070458572 363085785 /nfs/dbraw/zinc/08/57/85/363085785.db2.gz CRQRSWHLUOSJJZ-AWEZNQCLSA-N 1 0 293.374 2.324 10 0 CEAERO CO[C@H]1CN(C(=O)c2cccc(C)c2Cl)[C@@](C)(C[NH3+])C1 ZINC000630375636 351715907 /nfs/dbraw/zinc/71/59/07/351715907.db2.gz SESSJVRBLOMRON-IAQYHMDHSA-N 1 0 296.798 2.227 10 0 CEAERO Cc1nc(N2C[C@H](C)[C@@H](C[NH3+])C2)ccc1Br ZINC000630572226 351788544 /nfs/dbraw/zinc/78/85/44/351788544.db2.gz QBJYLLFYBUQNJG-WPRPVWTQSA-N 1 0 284.201 2.184 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCC2=CCCC2)C1 ZINC000122573687 187038830 /nfs/dbraw/zinc/03/88/30/187038830.db2.gz OYQDHRUUEKWLEO-CQSZACIVSA-N 1 0 265.401 2.270 10 0 CEAERO CSCCCCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000122668584 187045112 /nfs/dbraw/zinc/04/51/12/187045112.db2.gz RJBQGKNOBRYTEY-QWHCGFSZSA-N 1 0 270.442 2.215 10 0 CEAERO CC[C@](C)(O)C[N@@H+]1CCCN(Cc2ccccc2)CC1 ZINC000123297515 187083055 /nfs/dbraw/zinc/08/30/55/187083055.db2.gz CYSUUHRPMZKSCU-KRWDZBQOSA-N 1 0 276.424 2.355 10 0 CEAERO C[C@H](C[NH2+][C@H](C)c1cccnc1Cl)N1CCOCC1 ZINC000123322435 187084778 /nfs/dbraw/zinc/08/47/78/187084778.db2.gz MUSXTMQECYDMGX-VXGBXAGGSA-N 1 0 283.803 2.106 10 0 CEAERO COc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CCOCC2)cc1 ZINC000123486695 187095213 /nfs/dbraw/zinc/09/52/13/187095213.db2.gz FKFFPJDOOTWHLQ-ZIAGYGMSSA-N 1 0 278.396 2.067 10 0 CEAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CCOCC2)cc1 ZINC000123530261 187096479 /nfs/dbraw/zinc/09/64/79/187096479.db2.gz RAECWJDSMILBHJ-HUUCEWRRSA-N 1 0 262.397 2.366 10 0 CEAERO CC[N@@H+]1CCC[C@H](NCc2ccncc2Br)C1 ZINC000631049577 351937251 /nfs/dbraw/zinc/93/72/51/351937251.db2.gz KIXHCTGFDMTNKI-LBPRGKRZSA-N 1 0 298.228 2.418 10 0 CEAERO C[C@H](Sc1ccc(Br)cn1)C(N)=[NH2+] ZINC000070614993 363100761 /nfs/dbraw/zinc/10/07/61/363100761.db2.gz COFVVZLXPORVJE-YFKPBYRVSA-N 1 0 260.160 2.261 10 0 CEAERO [NH3+][C@@H](CO)c1c(F)c(Cl)ccc1C(F)(F)F ZINC000072199265 363120780 /nfs/dbraw/zinc/12/07/80/363120780.db2.gz NYBZKJKLRWUMDH-LURJTMIESA-N 1 0 257.614 2.490 10 0 CEAERO Cc1sc2ncnc(NC[C@@H]3CC[NH2+]C3)c2c1C ZINC000133773776 187705762 /nfs/dbraw/zinc/70/57/62/187705762.db2.gz LXONDQNVSGEVGY-SNVBAGLBSA-N 1 0 262.382 2.330 10 0 CEAERO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCO[C@@H](c3cccs3)C2)C1 ZINC000237893691 539894167 /nfs/dbraw/zinc/89/41/67/539894167.db2.gz QBFUZQFMFBXUTC-YNEHKIRRSA-N 1 0 294.420 2.166 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CN(CC)CCO2)C12CCCC2 ZINC000252744471 539897793 /nfs/dbraw/zinc/89/77/93/539897793.db2.gz SCFUYRCKBXLULG-HRCADAONSA-N 1 0 296.455 2.035 10 0 CEAERO CCC[NH2+][C@H](C)CN1CCN(c2ccccc2)CC1 ZINC000043816648 535191484 /nfs/dbraw/zinc/19/14/84/535191484.db2.gz KZDIUGVPANEQGY-OAHLLOKOSA-N 1 0 261.413 2.197 10 0 CEAERO CCC[NH2+][C@H]1CCCN(c2ccc(OCC)nc2)C1 ZINC000094995477 535191784 /nfs/dbraw/zinc/19/17/84/535191784.db2.gz NXVFXIPFZJFFQQ-ZDUSSCGKSA-N 1 0 263.385 2.449 10 0 CEAERO C[C@H](Cc1ccsc1)NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000251493638 539975582 /nfs/dbraw/zinc/97/55/82/539975582.db2.gz JFAJDWBADQJREJ-WXHSDQCUSA-N 1 0 266.410 2.170 10 0 CEAERO C[C@](O)(C[N@@H+]1CCOC2(CCC2)C1)c1ccccc1 ZINC000154180267 188127445 /nfs/dbraw/zinc/12/74/45/188127445.db2.gz LEHWFBDNMZPQHP-HNNXBMFYSA-N 1 0 261.365 2.149 10 0 CEAERO C[NH+](C)C[C@@H](NC(=O)Cc1ccc(O)cc1)c1ccccc1 ZINC000154217080 188130182 /nfs/dbraw/zinc/13/01/82/188130182.db2.gz UODLKSXFCMXHGX-QGZVFWFLSA-N 1 0 298.386 2.354 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccs2)C1 ZINC000155556285 188214268 /nfs/dbraw/zinc/21/42/68/188214268.db2.gz ZAFXEFXFXZNZFM-MNOVXSKESA-N 1 0 252.383 2.207 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)Cc2ccsc2)[C@@H](C)C1 ZINC000155622561 188217641 /nfs/dbraw/zinc/21/76/41/188217641.db2.gz VPSKWLJLAPWVKF-AAEUAGOBSA-N 1 0 266.410 2.136 10 0 CEAERO CC[C@@H]1CN(c2ncnc3sccc32)CC[C@H]1[NH3+] ZINC000251855762 539992865 /nfs/dbraw/zinc/99/28/65/539992865.db2.gz SFVXKJLHXAJYOY-MWLCHTKSSA-N 1 0 262.382 2.255 10 0 CEAERO COC[C@H](O)C[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000156750713 188279697 /nfs/dbraw/zinc/27/96/97/188279697.db2.gz QEIUWDCLRBVXRN-UKRRQHHQSA-N 1 0 263.381 2.297 10 0 CEAERO CC(C)C1([NH2+]C[C@H](O)COCc2ccccc2F)CC1 ZINC000293029921 198499985 /nfs/dbraw/zinc/49/99/85/198499985.db2.gz PSKTVWYTRBGAQL-AWEZNQCLSA-N 1 0 281.371 2.481 10 0 CEAERO Cc1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)nn1C ZINC000337275026 366119965 /nfs/dbraw/zinc/11/99/65/366119965.db2.gz FSXZXYDZNNWRNF-ARFHVFGLSA-N 1 0 277.412 2.244 10 0 CEAERO C[C@@H]1CCC[C@H](NC(=O)[C@]2(C)CCCC[NH2+]2)[C@@H]1C ZINC000133068466 366192681 /nfs/dbraw/zinc/19/26/81/366192681.db2.gz FNZSMTANKFFBQF-CXTNEJHOSA-N 1 0 252.402 2.460 10 0 CEAERO COc1cccc2ncnc(N[C@@H]3CC[C@@H](C[NH3+])C3)c21 ZINC000569912636 299225233 /nfs/dbraw/zinc/22/52/33/299225233.db2.gz BEGUSCXGAUKFBZ-GHMZBOCLSA-N 1 0 272.352 2.178 10 0 CEAERO COc1nc2c(F)c(F)c(F)c(F)c2cc1C[NH3+] ZINC000675070024 540111411 /nfs/dbraw/zinc/11/14/11/540111411.db2.gz OMTDOLUNVZWUOF-UHFFFAOYSA-N 1 0 260.190 2.259 10 0 CEAERO CC(C)(C)OC(=O)N1CC(c2ccoc2)=C[C@@H]([NH3+])C1 ZINC000675077352 540118324 /nfs/dbraw/zinc/11/83/24/540118324.db2.gz CUQABYVYYQBJOS-GFCCVEGCSA-N 1 0 264.325 2.241 10 0 CEAERO CC(C)NC(=O)N1[C@@H](C(F)(F)F)CCC[C@H]1CC[NH3+] ZINC000675072698 540114525 /nfs/dbraw/zinc/11/45/25/540114525.db2.gz GIAUNFGMUBBSFV-VHSXEESVSA-N 1 0 281.322 2.239 10 0 CEAERO CCC[NH2+][C@H](COC)c1cnnn1Cc1ccccc1 ZINC000675081019 540120253 /nfs/dbraw/zinc/12/02/53/540120253.db2.gz ZLFRJQXKJNOAJY-CQSZACIVSA-N 1 0 274.368 2.014 10 0 CEAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1cc(Cl)c[nH]1 ZINC000261794566 540151501 /nfs/dbraw/zinc/15/15/01/540151501.db2.gz IJNLXUMJOFFTEP-DGQGSHBHSA-N 1 0 281.787 2.304 10 0 CEAERO O=C(CC[NH2+]C1CC1)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000037613367 540155213 /nfs/dbraw/zinc/15/52/13/540155213.db2.gz PDRKJPBOAVYYCX-ONGXEEELSA-N 1 0 278.318 2.366 10 0 CEAERO C[C@@H]([NH3+])CC(=O)N[C@H](C)c1ccc(F)cc1Cl ZINC000261931777 540157342 /nfs/dbraw/zinc/15/73/42/540157342.db2.gz YYNJJRQISKIPPA-HTQZYQBOSA-N 1 0 258.724 2.394 10 0 CEAERO CCC[C@H](C(=O)NC[C@@H]1Cc2ccccc21)[NH+](C)C ZINC000154627825 540187956 /nfs/dbraw/zinc/18/79/56/540187956.db2.gz PHJHSHNDRDLPLS-DZGCQCFKSA-N 1 0 260.381 2.173 10 0 CEAERO CCCN(CC(F)(F)F)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054292096 540205936 /nfs/dbraw/zinc/20/59/36/540205936.db2.gz YTEFVCCEIRHVBJ-JTQLQIEISA-N 1 0 266.307 2.177 10 0 CEAERO CC1([C@H](O)c2cscc2Br)C[NH2+]C1 ZINC000575493473 366292101 /nfs/dbraw/zinc/29/21/01/366292101.db2.gz FGIIOIDCJWSDKE-MRVPVSSYSA-N 1 0 262.172 2.154 10 0 CEAERO C[C@@H]1CC[C@H](CN2C(=O)c3ccccc3C2=O)[NH2+][C@H]1C ZINC000575519417 366292176 /nfs/dbraw/zinc/29/21/76/366292176.db2.gz UCENDDCMTLUDLF-GRYCIOLGSA-N 1 0 272.348 2.059 10 0 CEAERO C[C@H](CN1C(=O)c2ccccc2C1=O)[C@H]1CCCC[NH2+]1 ZINC000575524821 366293484 /nfs/dbraw/zinc/29/34/84/366293484.db2.gz FVVKCKKLEJTFCM-BXUZGUMPSA-N 1 0 272.348 2.061 10 0 CEAERO C[C@H]1C[C@@H]1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000075977972 363503486 /nfs/dbraw/zinc/50/34/86/363503486.db2.gz HNUVTEPSXQHCQP-BBRMVZONSA-N 1 0 287.407 2.490 10 0 CEAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCOCC1 ZINC000076007443 363507278 /nfs/dbraw/zinc/50/72/78/363507278.db2.gz DXIQATVNBJBIKU-AWEZNQCLSA-N 1 0 298.427 2.402 10 0 CEAERO C[C@H]([NH2+]Cc1cccn1C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000293770337 198765271 /nfs/dbraw/zinc/76/52/71/198765271.db2.gz ZTRZSZLXKIQXMG-LBPRGKRZSA-N 1 0 293.411 2.370 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000227399781 538822082 /nfs/dbraw/zinc/82/20/82/538822082.db2.gz RAUDTGNKXOPMSS-HBNTYKKESA-N 1 0 278.318 2.162 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCC[C@@H]1c1ccncc1 ZINC000227402799 538822512 /nfs/dbraw/zinc/82/25/12/538822512.db2.gz BMPAPRRQDAEHGN-RRFJBIMHSA-N 1 0 273.380 2.120 10 0 CEAERO Cc1sc([C@@H](O)CC[NH3+])cc1Br ZINC000217657192 538867132 /nfs/dbraw/zinc/86/71/32/538867132.db2.gz NQBMMCQHVTYWII-ZETCQYMHSA-N 1 0 250.161 2.201 10 0 CEAERO O[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000302448809 538870002 /nfs/dbraw/zinc/87/00/02/538870002.db2.gz UYLCBSAPPNLNFC-MGPQQGTHSA-N 1 0 253.386 2.229 10 0 CEAERO COc1ccc(NC(=O)[C@H]2CCC[NH2+]C2)c2cccnc12 ZINC000165713508 540322863 /nfs/dbraw/zinc/32/28/63/540322863.db2.gz NTKUNPQXSPXMPW-NSHDSACASA-N 1 0 285.347 2.182 10 0 CEAERO CCOc1cc(NCC2([NH3+])CCCCC2)nc(C)n1 ZINC000389011103 540336579 /nfs/dbraw/zinc/33/65/79/540336579.db2.gz WUWHMNHRUZQKSY-UHFFFAOYSA-N 1 0 264.373 2.257 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCOCc1ccccc1 ZINC000390172320 540380815 /nfs/dbraw/zinc/38/08/15/540380815.db2.gz KSRGNSDRHQSVSC-WBVHZDCISA-N 1 0 274.408 2.372 10 0 CEAERO COCCOCC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000079471667 363605834 /nfs/dbraw/zinc/60/58/34/363605834.db2.gz BOJGCCGBUFMCRC-SJORKVTESA-N 1 0 293.407 2.238 10 0 CEAERO CCC[C@@H]1CCCN(C(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000578142936 366450338 /nfs/dbraw/zinc/45/03/38/366450338.db2.gz ZGSKGUNQJDBTFF-ZIAGYGMSSA-N 1 0 252.402 2.415 10 0 CEAERO Cc1noc2ncnc(N[C@@H]3C[N@H+](C(C)C)C[C@@H]3C)c12 ZINC000192485238 540551768 /nfs/dbraw/zinc/55/17/68/540551768.db2.gz CIWNQNSZTXGBMB-GXSJLCMTSA-N 1 0 275.356 2.067 10 0 CEAERO [NH3+]C[C@@H](Nc1ncc(Cl)cn1)C1CCCCC1 ZINC000130844386 283455131 /nfs/dbraw/zinc/45/51/31/283455131.db2.gz JIIOVHSRSRNVBY-LLVKDONJSA-N 1 0 254.765 2.450 10 0 CEAERO CC[C@H]1CCN(C(=O)/C=C/c2ccccc2)C[C@H]1[NH3+] ZINC000685939263 540634915 /nfs/dbraw/zinc/63/49/15/540634915.db2.gz LNTRKMZPXHDNDI-MATWNZDUSA-N 1 0 258.365 2.286 10 0 CEAERO Brc1cncc([C@@]23CC[C@H]2CC[NH2+]3)c1 ZINC000685946946 540638540 /nfs/dbraw/zinc/63/85/40/540638540.db2.gz HFABCGYLTQDXFJ-GZMMTYOYSA-N 1 0 253.143 2.443 10 0 CEAERO C[N@H+](Cc1ccccc1)[C@H]1CC(=O)N[C@H](C(F)(F)F)C1 ZINC000685947064 540638779 /nfs/dbraw/zinc/63/87/79/540638779.db2.gz QUPZVYCHUYWXGG-NEPJUHHUSA-N 1 0 286.297 2.328 10 0 CEAERO C[NH2+]Cc1nc(C(Cl)(Cl)Cl)ncc1C ZINC000685958696 540658027 /nfs/dbraw/zinc/65/80/27/540658027.db2.gz DUFJFYBBTGFINU-UHFFFAOYSA-N 1 0 254.548 2.331 10 0 CEAERO CC[C@H]1CN(CCc2ccccc2F)CC[N@@H+]1CCOC ZINC000137593253 366546059 /nfs/dbraw/zinc/54/60/59/366546059.db2.gz UJGNBBXMTAKXMH-INIZCTEOSA-N 1 0 294.414 2.411 10 0 CEAERO CCCC[C@H](CC)CNC(=O)C1(C[NH3+])CCOCC1 ZINC000138175638 366550849 /nfs/dbraw/zinc/55/08/49/366550849.db2.gz NIBDSOHALOSBMZ-ZDUSSCGKSA-N 1 0 270.417 2.075 10 0 CEAERO O=c1[nH]ccn1C1CC[NH+](Cc2ccccc2)CC1 ZINC000141602073 366566154 /nfs/dbraw/zinc/56/61/54/366566154.db2.gz NQBNNHXQQQPTAS-UHFFFAOYSA-N 1 0 257.337 2.014 10 0 CEAERO [NH3+][C@@H](C(=O)N[C@H]1CCOc2ccccc21)c1ccccc1 ZINC000037032449 283545697 /nfs/dbraw/zinc/54/56/97/283545697.db2.gz RBNXZHCPVQTJRL-GOEBONIOSA-N 1 0 282.343 2.326 10 0 CEAERO [NH3+]CC[C@H]1CCCN(c2nccc(C(F)(F)F)n2)C1 ZINC000081587149 363732791 /nfs/dbraw/zinc/73/27/91/363732791.db2.gz QYBATOMBQHJZEW-SECBINFHSA-N 1 0 274.290 2.061 10 0 CEAERO C[C@H](C[NH2+][C@@H](C)c1ccsc1)N1CCOCC1 ZINC000177731845 189066037 /nfs/dbraw/zinc/06/60/37/189066037.db2.gz DVTZUGBPQDONQP-NEPJUHHUSA-N 1 0 254.399 2.119 10 0 CEAERO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1cc2ccccc2o1 ZINC000178511556 189122421 /nfs/dbraw/zinc/12/24/21/189122421.db2.gz YVHHVICYNXVCJA-CQSZACIVSA-N 1 0 272.348 2.485 10 0 CEAERO C[C@@H](NC[C@H](O)C[NH+]1CCCCC1)c1ccsc1 ZINC000178519724 189123074 /nfs/dbraw/zinc/12/30/74/189123074.db2.gz WELLKGATXMBSOM-OCCSQVGLSA-N 1 0 268.426 2.246 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]2CN(c3ccncc3Br)C[C@H]21 ZINC000229262760 283588103 /nfs/dbraw/zinc/58/81/03/283588103.db2.gz DTCZMJTZOZWVJY-HOSYDEDBSA-N 1 0 296.212 2.408 10 0 CEAERO CCn1nccc1C[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000180126880 189238759 /nfs/dbraw/zinc/23/87/59/189238759.db2.gz ORBDNEZALURCFF-AWEZNQCLSA-N 1 0 273.384 2.073 10 0 CEAERO CC1=C[C@@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[NH2+]CCC[C@H]23 ZINC000003872829 361291287 /nfs/dbraw/zinc/29/12/87/361291287.db2.gz YYWGABLTRMRUIT-HSMVNMDESA-N 1 0 256.349 2.092 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)N[C@H](C)Cc1cc(C)cc(C)c1 ZINC000236993578 370674124 /nfs/dbraw/zinc/67/41/24/370674124.db2.gz FVWBUIVBULMTRD-UKRRQHHQSA-N 1 0 262.397 2.478 10 0 CEAERO CCC(CC)C[N@@H+]1CCN(CCOC)[C@H](CC)C1 ZINC000153881196 366741727 /nfs/dbraw/zinc/74/17/27/366741727.db2.gz ODDTUQUDGHDZHO-OAHLLOKOSA-N 1 0 256.434 2.465 10 0 CEAERO CC(=O)Nc1cccc([C@@H]([NH3+])CNC(=O)OC(C)(C)C)c1 ZINC000083428629 363772615 /nfs/dbraw/zinc/77/26/15/363772615.db2.gz FUYCHUKPYDOMEJ-ZDUSSCGKSA-N 1 0 293.367 2.170 10 0 CEAERO CC(C)(O)C[NH2+]Cc1ccc(O)c(Br)c1 ZINC000083461152 363774515 /nfs/dbraw/zinc/77/45/15/363774515.db2.gz RXVNLYNMWAMRSK-UHFFFAOYSA-N 1 0 274.158 2.015 10 0 CEAERO Cc1ccc(NS(=O)(=O)c2ccc(C[NH3+])cc2)cc1 ZINC000011849292 361366125 /nfs/dbraw/zinc/36/61/25/361366125.db2.gz OSTASZXBUJVJPO-UHFFFAOYSA-N 1 0 276.361 2.255 10 0 CEAERO [NH3+]CC1CCN(c2cc(-c3ccccc3)ncn2)CC1 ZINC000011849500 361366579 /nfs/dbraw/zinc/36/65/79/361366579.db2.gz GDFGOQDUZBHJEN-UHFFFAOYSA-N 1 0 268.364 2.319 10 0 CEAERO Cc1nn(C)c(Cl)c1CN1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000083705019 363784951 /nfs/dbraw/zinc/78/49/51/363784951.db2.gz UZBGJJQIEPGCQX-AAEUAGOBSA-N 1 0 296.846 2.441 10 0 CEAERO O=C(C[NH2+]C12CC3CC(CC(C3)C1)C2)N1CCCC1 ZINC000013523014 361431632 /nfs/dbraw/zinc/43/16/32/361431632.db2.gz GBHSLOVYKKLKNI-UHFFFAOYSA-N 1 0 262.397 2.167 10 0 CEAERO O[C@]1(c2ccc(-c3ncccn3)cc2)C[NH+]2CCC1CC2 ZINC000013757124 361440653 /nfs/dbraw/zinc/44/06/53/361440653.db2.gz RRMINTDAZGXFGR-KRWDZBQOSA-N 1 0 281.359 2.057 10 0 CEAERO CCOc1cncc(NC[C@H]2CCC[N@@H+]2CC(C)C)n1 ZINC000301762867 201182597 /nfs/dbraw/zinc/18/25/97/201182597.db2.gz DVZUXJMRNQJIER-CYBMUJFWSA-N 1 0 278.400 2.408 10 0 CEAERO c1ccc(C[C@H]2C[NH2+][C@@H](Cc3ccccc3)CN2)cc1 ZINC000022924908 361590311 /nfs/dbraw/zinc/59/03/11/361590311.db2.gz MHZXGSQZAQYQPG-ROUUACIJSA-N 1 0 266.388 2.402 10 0 CEAERO CC(C)[NH2+]C[C@@H](O)COc1cc(O)cc2ccccc21 ZINC000026842900 361646293 /nfs/dbraw/zinc/64/62/93/361646293.db2.gz RCVRLPVUJIGYMC-CQSZACIVSA-N 1 0 275.348 2.283 10 0 CEAERO OCC[NH+]1CCC2(CC1)Oc1ccccc1[C@H]2n1cccc1 ZINC000029315517 361684030 /nfs/dbraw/zinc/68/40/30/361684030.db2.gz XCWSTXJAIKIBPH-QGZVFWFLSA-N 1 0 298.386 2.297 10 0 CEAERO OC1CC(C[NH2+]Cc2cc(Br)ccc2F)C1 ZINC000084445884 363811028 /nfs/dbraw/zinc/81/10/28/363811028.db2.gz SPWWMXARCBXRCQ-UHFFFAOYSA-N 1 0 288.160 2.449 10 0 CEAERO CC1CCN(CC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000085636553 363836079 /nfs/dbraw/zinc/83/60/79/363836079.db2.gz XACYPVLNWJVNJL-ZNMIVQPWSA-N 1 0 266.429 2.121 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2nc(C3CC3)ns2)C1 ZINC000087640991 363865203 /nfs/dbraw/zinc/86/52/03/363865203.db2.gz LRPYGNXWRJCRCN-SNVBAGLBSA-N 1 0 252.387 2.312 10 0 CEAERO C[C@H](CCC[NH3+])Nc1ccc(Br)cn1 ZINC000087362284 363849127 /nfs/dbraw/zinc/84/91/27/363849127.db2.gz HKBWLWDEHKBQDI-MRVPVSSYSA-N 1 0 258.163 2.383 10 0 CEAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1ncc[nH]1 ZINC000089150752 363938331 /nfs/dbraw/zinc/93/83/31/363938331.db2.gz RDAFCEWLMYZHQT-RYUDHWBXSA-N 1 0 294.399 2.193 10 0 CEAERO CCOc1ccc(C[NH2+]C[C@H]2CCC[C@H]2O)cc1OC ZINC000089160134 363940572 /nfs/dbraw/zinc/94/05/72/363940572.db2.gz LDINSCWJVYYSTJ-ZIAGYGMSSA-N 1 0 279.380 2.345 10 0 CEAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000089161202 363941150 /nfs/dbraw/zinc/94/11/50/363941150.db2.gz AKKQPMNFKBYGEI-DGCLKSJQSA-N 1 0 297.782 2.362 10 0 CEAERO CC(C)(C)OC(=O)NC[C@@H]([NH3+])c1nccc2[nH]ccc21 ZINC000089220747 363949522 /nfs/dbraw/zinc/94/95/22/363949522.db2.gz CEIOTVMNWYBRIS-SNVBAGLBSA-N 1 0 276.340 2.087 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]CCc2nc(C)no2)c1C ZINC000089517715 363974855 /nfs/dbraw/zinc/97/48/55/363974855.db2.gz NHGCCBYGNZWJAY-VIFPVBQESA-N 1 0 277.372 2.105 10 0 CEAERO Cc1cccc(NC[C@@H]2CC[N@H+](CC3=CCCOC3)C2)n1 ZINC000092813345 364110632 /nfs/dbraw/zinc/11/06/32/364110632.db2.gz FXOZTPSHIPPRMZ-HNNXBMFYSA-N 1 0 287.407 2.471 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1C(=O)c1csc(-c2ccoc2)n1 ZINC000237858713 370755549 /nfs/dbraw/zinc/75/55/49/370755549.db2.gz NGROGYBKMPOQBT-NSHDSACASA-N 1 0 291.376 2.357 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ncccc1C ZINC000094449765 364275959 /nfs/dbraw/zinc/27/59/59/364275959.db2.gz KPVIMENJQHTHFT-HUUCEWRRSA-N 1 0 259.397 2.449 10 0 CEAERO O=[S@@](c1nc2ccccc2nc1Cl)C1CC[NH2+]CC1 ZINC000095069770 364329971 /nfs/dbraw/zinc/32/99/71/364329971.db2.gz JGZRGMKJTITRPI-IBGZPJMESA-N 1 0 295.795 2.143 10 0 CEAERO C[NH2+][C@@H]1CCCN(c2nc3ccccc3nc2NC2CC2)C1 ZINC000095071447 364331141 /nfs/dbraw/zinc/33/11/41/364331141.db2.gz 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C[C@H]([NH2+][C@@H]1CC(=O)N(C)c2ccccc21)[C@H]1CCOC1 ZINC000132030556 299354213 /nfs/dbraw/zinc/35/42/13/299354213.db2.gz CTCOXOUAGGCWEE-SGMGOOAPSA-N 1 0 274.364 2.109 10 0 CEAERO Cn1cc([C@@H]2CC[N@H+](Cc3ccc4c(c3)CCO4)C2)cn1 ZINC000116311908 365049154 /nfs/dbraw/zinc/04/91/54/365049154.db2.gz MRTQRFABTFICLX-OAHLLOKOSA-N 1 0 283.375 2.345 10 0 CEAERO Cn1cc([C@@H]2CC[N@H+](Cc3ccc4c(c3)OCCO4)C2)cn1 ZINC000116315303 365050163 /nfs/dbraw/zinc/05/01/63/365050163.db2.gz VBPRBHQVHQZFIC-CQSZACIVSA-N 1 0 299.374 2.181 10 0 CEAERO Cn1cc([C@@H]2CC[N@H+](Cc3noc4c3CCCC4)C2)cn1 ZINC000116322367 365051753 /nfs/dbraw/zinc/05/17/53/365051753.db2.gz GIMBFFUSHGQYCC-GFCCVEGCSA-N 1 0 286.379 2.276 10 0 CEAERO CC[C@@H](CC1CCCC1)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116788842 365068627 /nfs/dbraw/zinc/06/86/27/365068627.db2.gz GGNGKGGSTYCOKM-JKSUJKDBSA-N 1 0 296.455 2.382 10 0 CEAERO COc1ccnc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1 ZINC000115980971 365032685 /nfs/dbraw/zinc/03/26/85/365032685.db2.gz HCCRZSWOVQUJQR-MRXNPFEDSA-N 1 0 299.374 2.123 10 0 CEAERO CCCC[C@@H](CC)CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000117023271 365089604 /nfs/dbraw/zinc/08/96/04/365089604.db2.gz KYLKYCCORVSHRM-CABCVRRESA-N 1 0 299.459 2.175 10 0 CEAERO CC[C@@H]1CN(C(=O)c2ccccc2F)CCN1CCOC ZINC000117306827 365100703 /nfs/dbraw/zinc/10/07/03/365100703.db2.gz XZVWXLONXZFGKW-CYBMUJFWSA-N 1 0 294.370 2.009 10 0 CEAERO C[C@@H]1[C@H](C)SCC[N@@H+]1C[C@@H](O)COCc1ccccc1 ZINC000118534429 365163116 /nfs/dbraw/zinc/16/31/16/365163116.db2.gz VTROOSJAPURTND-IJEWVQPXSA-N 1 0 295.448 2.390 10 0 CEAERO CC1(C)Cc2cccc(C[NH2+][C@@H]3CCc4ncnn4C3)c2O1 ZINC000119121126 365220554 /nfs/dbraw/zinc/22/05/54/365220554.db2.gz DBGCHRITCCIHCK-CQSZACIVSA-N 1 0 298.390 2.096 10 0 CEAERO CC1(C)Cc2cccc(C[NH2+][C@H]3CCc4ncnn4C3)c2O1 ZINC000119121283 365220796 /nfs/dbraw/zinc/22/07/96/365220796.db2.gz DBGCHRITCCIHCK-AWEZNQCLSA-N 1 0 298.390 2.096 10 0 CEAERO CC[C@H](O)C[NH+]1CCN(CCCc2ccccc2)CC1 ZINC000118858812 365186209 /nfs/dbraw/zinc/18/62/09/365186209.db2.gz FCQKTFOVQFXXPW-KRWDZBQOSA-N 1 0 276.424 2.008 10 0 CEAERO Cc1cnn([C@@H]2CCC[N@H+](CCOCC3CC3)C2)c1 ZINC000119291365 365248057 /nfs/dbraw/zinc/24/80/57/365248057.db2.gz MUXCOJODVKLLIF-OAHLLOKOSA-N 1 0 263.385 2.255 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@]2(C)CCCS2)C1 ZINC000119731858 365316992 /nfs/dbraw/zinc/31/69/92/365316992.db2.gz QMRSLLARQDSMTE-JSGCOSHPSA-N 1 0 285.457 2.056 10 0 CEAERO CC[C@@H](C)C[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000120391417 365416910 /nfs/dbraw/zinc/41/69/10/365416910.db2.gz SDTIAOCIBCHIKJ-ZIAGYGMSSA-N 1 0 262.401 2.423 10 0 CEAERO CC[C@@H]1CN(Cc2ccc(C)s2)CC[N@@H+]1C[C@@H](C)O ZINC000120702769 365462967 /nfs/dbraw/zinc/46/29/67/365462967.db2.gz DZDWJLKUHCDAEY-TZMCWYRMSA-N 1 0 282.453 2.334 10 0 CEAERO C[C@@H](O)CN1CC[N@H+](Cc2cccc3[nH]ccc32)C[C@H]1C ZINC000120666943 365457579 /nfs/dbraw/zinc/45/75/79/365457579.db2.gz GLZRXZBNNWYJPU-ZIAGYGMSSA-N 1 0 287.407 2.055 10 0 CEAERO O=C(N1CC=C(C(F)(F)F)CC1)C12CCC[NH+]1CCC2 ZINC000334842505 283887205 /nfs/dbraw/zinc/88/72/05/283887205.db2.gz ZUWBDRSWWUUIKH-UHFFFAOYSA-N 1 0 288.313 2.336 10 0 CEAERO C[C@H]([NH2+]Cc1cccn1C)c1ccc(S(C)(=O)=O)cc1 ZINC000161563169 367096989 /nfs/dbraw/zinc/09/69/89/367096989.db2.gz TWIJICGDABVQMU-LBPRGKRZSA-N 1 0 292.404 2.279 10 0 CEAERO C[C@@H]1C[N@H+](C[C@H]2CCC[C@@H](C)C2)C[C@@H]1N1CCOCC1 ZINC000245541825 370834289 /nfs/dbraw/zinc/83/42/89/370834289.db2.gz QTNHFSAOPZNQDT-NCOADZHNSA-N 1 0 280.456 2.465 10 0 CEAERO C[C@@H](c1ccccn1)[N@H+](C)C[C@@H](O)COC(C)(C)C ZINC000245545894 370836770 /nfs/dbraw/zinc/83/67/70/370836770.db2.gz UOYBYHHGZXEOEX-QWHCGFSZSA-N 1 0 266.385 2.250 10 0 CEAERO C[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000638883727 370818632 /nfs/dbraw/zinc/81/86/32/370818632.db2.gz ALFYNCOYSQBLHR-GHMZBOCLSA-N 1 0 298.839 2.485 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](C)c1ccccn1 ZINC000245428284 370818934 /nfs/dbraw/zinc/81/89/34/370818934.db2.gz WZYOXKBGYOYCMM-ZIAGYGMSSA-N 1 0 290.411 2.268 10 0 CEAERO C[C@H]1CN(C(=O)CCSc2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000638884640 370819195 /nfs/dbraw/zinc/81/91/95/370819195.db2.gz DFQGRUMJCQPFGC-RYUDHWBXSA-N 1 0 296.411 2.361 10 0 CEAERO CSc1ccccc1C(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638884870 370819499 /nfs/dbraw/zinc/81/94/99/370819499.db2.gz GJBPMLCCZZYXGF-WDEREUQCSA-N 1 0 264.394 2.075 10 0 CEAERO CCC[C@@H](C(=O)NCCc1ccc(C)c(OC)c1)[NH+](C)C ZINC000162264398 367147473 /nfs/dbraw/zinc/14/74/73/367147473.db2.gz LSUBNDFPXAWNSU-HNNXBMFYSA-N 1 0 292.423 2.393 10 0 CEAERO C[C@@H]1CN(C(=O)c2cccc(Cl)c2F)C[C@H]1C[NH3+] ZINC000638889032 370822983 /nfs/dbraw/zinc/82/29/83/370822983.db2.gz CCEBBSIBHQFVGQ-RKDXNWHRSA-N 1 0 270.735 2.146 10 0 CEAERO C[C@H](Oc1cccc(Cl)c1)C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638891221 370823703 /nfs/dbraw/zinc/82/37/03/370823703.db2.gz ZGMWMPUYXUPFPN-WOPDTQHZSA-N 1 0 296.798 2.161 10 0 CEAERO Cc1cc(Cl)ccc1C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638891423 370824701 /nfs/dbraw/zinc/82/47/01/370824701.db2.gz HGAAUJSGWQEMKY-MNOVXSKESA-N 1 0 266.772 2.315 10 0 CEAERO CSc1ccc(C)c(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000638893299 370824878 /nfs/dbraw/zinc/82/48/78/370824878.db2.gz YLDDDDYPGKLIGT-VXGBXAGGSA-N 1 0 278.421 2.384 10 0 CEAERO Cc1ccc(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)cc1Cl ZINC000638893302 370825536 /nfs/dbraw/zinc/82/55/36/370825536.db2.gz YLDVVYVKVADFHA-JQWIXIFHSA-N 1 0 266.772 2.315 10 0 CEAERO C[C@H]1CN(C(=O)c2ccc(F)c(Cl)c2)C[C@H]1C[NH3+] ZINC000638894944 370826253 /nfs/dbraw/zinc/82/62/53/370826253.db2.gz RILYFMUVNFCRPC-WCBMZHEXSA-N 1 0 270.735 2.146 10 0 CEAERO [NH3+]CCCNc1ncc(Cl)cc1Br ZINC000162763525 367188184 /nfs/dbraw/zinc/18/81/84/367188184.db2.gz YVRJVAAKTBVZRE-UHFFFAOYSA-N 1 0 264.554 2.258 10 0 CEAERO [NH3+][C@H]1CCN(c2ncc(Cl)cc2Br)C1 ZINC000162814252 367192076 /nfs/dbraw/zinc/19/20/76/367192076.db2.gz VQCXVYSKAAJFCA-ZETCQYMHSA-N 1 0 276.565 2.035 10 0 CEAERO CCOCC[N@@H+]1CCN(C(=O)N(CC)C(C)C)C[C@H]1CC ZINC000162804629 367192316 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Cc1nc(N2C[C@H]([NH3+])C[C@@H]2C)ccc1Br ZINC000385195595 375229394 /nfs/dbraw/zinc/22/93/94/375229394.db2.gz AMFKHYCEEFNDGS-IONNQARKSA-N 1 0 270.174 2.078 10 0 CEAERO CC[N@@H+]1CC[C@H](Nc2nccc(C(F)(F)F)n2)C1 ZINC000389170320 375298632 /nfs/dbraw/zinc/29/86/32/375298632.db2.gz NQLCTSHYKSICEY-QMMMGPOBSA-N 1 0 260.263 2.002 10 0 CEAERO CC[N@@H+]1CCC[C@H](Nc2nccc(SC)n2)C1 ZINC000386528226 375261621 /nfs/dbraw/zinc/26/16/21/375261621.db2.gz YXTDOHWMFCVNKP-JTQLQIEISA-N 1 0 252.387 2.095 10 0 CEAERO Cc1nnsc1CN[C@H](C[NH+](C)C)c1ccccc1 ZINC000394829157 375332528 /nfs/dbraw/zinc/33/25/28/375332528.db2.gz BUDNMJXQJDVRSC-CYBMUJFWSA-N 1 0 276.409 2.239 10 0 CEAERO O=C1CC[C@H]([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CCN1 ZINC000396750283 375338267 /nfs/dbraw/zinc/33/82/67/375338267.db2.gz QYQGVTYSWAFPKV-GARJFASQSA-N 1 0 278.318 2.366 10 0 CEAERO CCN1CCC[C@@H]([NH2+]Cc2ccc(OC)cc2F)C1 ZINC000404961822 375379461 /nfs/dbraw/zinc/37/94/61/375379461.db2.gz VTKMYXWABFHAHU-CYBMUJFWSA-N 1 0 266.360 2.408 10 0 CEAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1F ZINC000282212538 375429510 /nfs/dbraw/zinc/42/95/10/375429510.db2.gz DMBASZHEDZPNTF-PELKAZGASA-N 1 0 270.735 2.236 10 0 CEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cccc(C(F)F)c1 ZINC000282268432 375443245 /nfs/dbraw/zinc/44/32/45/375443245.db2.gz HMKIADANPLWETF-JOYOIKCWSA-N 1 0 268.307 2.381 10 0 CEAERO Cc1cc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)c(C)s1 ZINC000282301673 375453270 /nfs/dbraw/zinc/45/32/70/375453270.db2.gz JULNMGPMHWRWHT-SKDRFNHKSA-N 1 0 252.383 2.122 10 0 CEAERO Cc1nc(C)c([C@H](C)[NH2+][C@H]2CCC(=O)N[C@H]2C)s1 ZINC000282311551 375454990 /nfs/dbraw/zinc/45/49/90/375454990.db2.gz NBTZGWBHDHFMFB-ARENWVFISA-N 1 0 267.398 2.078 10 0 CEAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1c(F)cccc1Cl ZINC000282423856 375482242 /nfs/dbraw/zinc/48/22/42/375482242.db2.gz QXIDFIGYPCHHTL-PELKAZGASA-N 1 0 270.735 2.236 10 0 CEAERO c1ccc2c(c1)C[C@@H]2C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000286752750 376054418 /nfs/dbraw/zinc/05/44/18/376054418.db2.gz GIUYHSQSGFVCGG-LSDHHAIUSA-N 1 0 273.376 2.411 10 0 CEAERO Cc1ccnc(N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000311744476 376683708 /nfs/dbraw/zinc/68/37/08/376683708.db2.gz RLNLPDNUBXFIDJ-LSDHHAIUSA-N 1 0 253.349 2.321 10 0 CEAERO CC(C)(C)[C@@H](O)C[NH2+]Cc1cnc2ccccc2n1 ZINC000324412411 376840513 /nfs/dbraw/zinc/84/05/13/376840513.db2.gz KSGQYQDXPXSWIA-AWEZNQCLSA-N 1 0 259.353 2.126 10 0 CEAERO CC(C)(C)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccccc1 ZINC000616570588 542156997 /nfs/dbraw/zinc/15/69/97/542156997.db2.gz NNQSPCWCERMSNP-UONOGXRCSA-N 1 0 260.381 2.294 10 0 CEAERO C[C@@H](C(=O)Nc1cccnc1)[C@@H]([NH3+])c1ccccc1 ZINC000131615804 249315633 /nfs/dbraw/zinc/31/56/33/249315633.db2.gz PYFHDVLPOUIBSM-BXUZGUMPSA-N 1 0 255.321 2.356 10 0 CEAERO CC(C)c1nn2c(c1Br)NCC[C@H]2C[NH3+] ZINC000232770774 542261619 /nfs/dbraw/zinc/26/16/19/542261619.db2.gz IJOHJPSHDOUZTR-ZETCQYMHSA-N 1 0 273.178 2.084 10 0 CEAERO CCC(=O)CCC[N@@H+]1C[C@@H]2CCCCN2C[C@H]1C ZINC000300120511 379154916 /nfs/dbraw/zinc/15/49/16/379154916.db2.gz SAXFPVRYSANSES-KGLIPLIRSA-N 1 0 252.402 2.304 10 0 CEAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000300583876 379175125 /nfs/dbraw/zinc/17/51/25/379175125.db2.gz MEYQHEDGVNFPGU-LPWJVIDDSA-N 1 0 259.415 2.120 10 0 CEAERO CCCCc1nn2c(c1Br)NCC[C@H]2C[NH3+] ZINC000233027754 542267820 /nfs/dbraw/zinc/26/78/20/542267820.db2.gz HZGPEWULBPIUPK-QMMMGPOBSA-N 1 0 287.205 2.304 10 0 CEAERO Cc1n[nH]cc1[C@@H](C)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000181002333 542267879 /nfs/dbraw/zinc/26/78/79/542267879.db2.gz WNCGTTGEPLMXKN-TZMCWYRMSA-N 1 0 264.417 2.489 10 0 CEAERO CNc1c(Cl)ncnc1N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000302604776 379404825 /nfs/dbraw/zinc/40/48/25/379404825.db2.gz ZKBIECMTULOLOU-VHSXEESVSA-N 1 0 283.807 2.312 10 0 CEAERO Cc1cccnc1/C=C\C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000492629469 380634542 /nfs/dbraw/zinc/63/45/42/380634542.db2.gz ZBGAOIRROCJRPZ-CYSIVNQBSA-N 1 0 285.391 2.098 10 0 CEAERO Clc1cccc(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)c1Cl ZINC000334822907 207141102 /nfs/dbraw/zinc/14/11/02/207141102.db2.gz YSEIRZHPBIRFDY-NWDGAFQWSA-N 1 0 287.190 2.166 10 0 CEAERO CCc1ccc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCCO2)cc1 ZINC000183139208 542287439 /nfs/dbraw/zinc/28/74/39/542287439.db2.gz CALSIOUJIGCCDI-SWLSCSKDSA-N 1 0 276.380 2.345 10 0 CEAERO CC1=C(C)CN(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1 ZINC000334941657 207329659 /nfs/dbraw/zinc/32/96/59/207329659.db2.gz XRJMKSFVUCAHTB-UKRRQHHQSA-N 1 0 265.401 2.065 10 0 CEAERO CCO[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](CO)CC2)C12CCOCC2 ZINC000186386334 542309160 /nfs/dbraw/zinc/30/91/60/542309160.db2.gz IMEQFZVENIUDJI-FZKCQIBNSA-N 1 0 297.439 2.101 10 0 CEAERO CC(C)c1ccc([C@H](O)C[NH2+]C(C)(C)CO)cc1 ZINC000037888279 184542885 /nfs/dbraw/zinc/54/28/85/184542885.db2.gz ZXYWWVYBYTVKEV-CQSZACIVSA-N 1 0 251.370 2.204 10 0 CEAERO C[NH2+][C@H](CCCS(C)(=O)=O)c1nccc2ccccc21 ZINC000070981539 184573990 /nfs/dbraw/zinc/57/39/90/184573990.db2.gz PPLQBOUOOALLFE-CQSZACIVSA-N 1 0 292.404 2.320 10 0 CEAERO CC[NH2+][C@H]1CCCCC[C@@H]1CCS(=O)(=O)CC ZINC000049851983 184564949 /nfs/dbraw/zinc/56/49/49/184564949.db2.gz BNVQXBXHRAVXKU-OLZOCXBDSA-N 1 0 261.431 2.370 10 0 CEAERO [NH3+][C@@H]1c2ccccc2CCC[C@H]1Sc1nc[nH]n1 ZINC000081849820 184597244 /nfs/dbraw/zinc/59/72/44/184597244.db2.gz LCVLUMVZIDBVBD-VXGBXAGGSA-N 1 0 260.366 2.302 10 0 CEAERO [NH3+]CCC[C@H](C(=O)NC1CC1)c1ccc(Cl)cc1 ZINC000076703901 184590317 /nfs/dbraw/zinc/59/03/17/184590317.db2.gz OQWXTAZXCISBJU-ZDUSSCGKSA-N 1 0 266.772 2.441 10 0 CEAERO CC[C@@H](C)NC(=O)COC1(C[NH3+])CCC(C)(C)CC1 ZINC000086711837 184610383 /nfs/dbraw/zinc/61/03/83/184610383.db2.gz FFIQDQYRSPXFPQ-GFCCVEGCSA-N 1 0 270.417 2.215 10 0 CEAERO CCCOc1cc(NC[C@H](C)C[NH+]2CCCC2)ncn1 ZINC000090793940 184616913 /nfs/dbraw/zinc/61/69/13/184616913.db2.gz GBZVICARPOTJIF-ZDUSSCGKSA-N 1 0 278.400 2.409 10 0 CEAERO COc1ccc2c(c1)[C@H](N1C[C@@H](C)[NH2+][C@@H](C)C1)CC2 ZINC000092841483 184631143 /nfs/dbraw/zinc/63/11/43/184631143.db2.gz BLHOMCKXLKGFQF-BFQNTYOBSA-N 1 0 260.381 2.365 10 0 CEAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@@H](SC1COC1)CC2 ZINC000092712670 184622687 /nfs/dbraw/zinc/62/26/87/184622687.db2.gz NIJWLGTYFJWXDM-UONOGXRCSA-N 1 0 265.378 2.142 10 0 CEAERO CC[NH2+]C/C=C/c1cc(OC)c(OC)c(OC)c1 ZINC000092729154 184624014 /nfs/dbraw/zinc/62/40/14/184624014.db2.gz CKXZZXQWZLPQNE-VOTSOKGWSA-N 1 0 251.326 2.335 10 0 CEAERO O=C(CCC[NH2+][C@@H]1CCc2c1cccc2O)NC1CC1 ZINC000092987162 184641029 /nfs/dbraw/zinc/64/10/29/184641029.db2.gz OWQFVKDGJVJWOV-CQSZACIVSA-N 1 0 274.364 2.028 10 0 CEAERO O=C(CC[NH2+][C@H](c1cccs1)C1CC1)NC1CC1 ZINC000092986477 184641473 /nfs/dbraw/zinc/64/14/73/184641473.db2.gz ZXBXPTQLFMDNNG-AWEZNQCLSA-N 1 0 264.394 2.458 10 0 CEAERO COC(=O)c1ccc(C[NH2+][C@H]2C[C@@H]2c2ccccc2)[nH]1 ZINC000093085376 184647983 /nfs/dbraw/zinc/64/79/83/184647983.db2.gz GKTQDNPOEHCYGQ-HIFRSBDPSA-N 1 0 270.332 2.447 10 0 CEAERO Cc1cccc([C@H](C[NH2+]C2CC2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000093126765 184650522 /nfs/dbraw/zinc/65/05/22/184650522.db2.gz XJTUKZCMVFZLSP-ZBFHGGJFSA-N 1 0 293.432 2.265 10 0 CEAERO COCC[NH2+]C[C@@H](Cc1cnn(C)c1)c1cccc(C)c1 ZINC000093126403 184650881 /nfs/dbraw/zinc/65/08/81/184650881.db2.gz GHQLCQRNQXYXMB-QGZVFWFLSA-N 1 0 287.407 2.291 10 0 CEAERO CC[NH2+]C[C@H](CCS(=O)(=O)CC)c1ccc(F)cc1 ZINC000093146753 184652311 /nfs/dbraw/zinc/65/23/11/184652311.db2.gz DDCQJYYJMUWKIA-ZDUSSCGKSA-N 1 0 287.400 2.344 10 0 CEAERO CCC[NH2+]C[C@H](Cc1ncnn1C)c1cccc(F)c1 ZINC000093164070 184653226 /nfs/dbraw/zinc/65/32/26/184653226.db2.gz QTOMWWTZFJNMHF-ZDUSSCGKSA-N 1 0 276.359 2.280 10 0 CEAERO Cc1nn(C)c(C)c1-c1nn(C)cc1C[NH2+]CC(C)C ZINC000093297447 184661356 /nfs/dbraw/zinc/66/13/56/184661356.db2.gz IFXTWVCEHJVGBH-UHFFFAOYSA-N 1 0 275.400 2.183 10 0 CEAERO [NH3+][C@@H]1CCC[C@H](Nc2cc3c(cc2Cl)NC(=O)CO3)C1 ZINC000093212212 184656137 /nfs/dbraw/zinc/65/61/37/184656137.db2.gz DNVFZVLLOWWEBI-BDAKNGLRSA-N 1 0 295.770 2.353 10 0 CEAERO COCC[C@@H](C)[NH2+][C@@H]1CC(=O)N(C)c2ccccc21 ZINC000081705878 285131873 /nfs/dbraw/zinc/13/18/73/285131873.db2.gz JTHANMBANIQOOG-DGCLKSJQSA-N 1 0 262.353 2.109 10 0 CEAERO COC[C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000109107807 285199672 /nfs/dbraw/zinc/19/96/72/285199672.db2.gz DFVYAQNCWNBXOB-ZBFHGGJFSA-N 1 0 296.455 2.430 10 0 CEAERO O=C(CC[N@@H+]1CCCC[C@H]1[C@@H]1CCCCC1=O)NC1CC1 ZINC000093494390 184684441 /nfs/dbraw/zinc/68/44/41/184684441.db2.gz SRLOFVKGPLXXPV-GJZGRUSLSA-N 1 0 292.423 2.269 10 0 CEAERO COC(C)(C)C[C@@]1(C)C[NH+]=C(N)N1C1CCCC1 ZINC000093391684 184670366 /nfs/dbraw/zinc/67/03/66/184670366.db2.gz WKIDTEKPXDMEHD-AWEZNQCLSA-N 1 0 253.390 2.133 10 0 CEAERO CC[C@@H]1C[C@@]2(C[NH+]=C(N)N2c2ccccc2F)CCO1 ZINC000093390955 184670631 /nfs/dbraw/zinc/67/06/31/184670631.db2.gz VZRYPOTYGMDSAL-IAQYHMDHSA-N 1 0 277.343 2.288 10 0 CEAERO C[C@H](NC(=O)C1CCC(C[NH3+])CC1)c1ccccn1 ZINC000093424842 184673505 /nfs/dbraw/zinc/67/35/05/184673505.db2.gz MVTBNZXAOHVPEC-HIFPTAJRSA-N 1 0 261.369 2.024 10 0 CEAERO Cc1csc([C@H](C)NC(=O)C2CCC(C[NH3+])CC2)n1 ZINC000093425936 184673987 /nfs/dbraw/zinc/67/39/87/184673987.db2.gz PVMXNIGLODHKSF-UNXYVOJBSA-N 1 0 281.425 2.394 10 0 CEAERO CCOC(C[NH2+][C@H]1CCO[C@@](C)(CC)C1)OCC ZINC000093447279 184675900 /nfs/dbraw/zinc/67/59/00/184675900.db2.gz UHZUQOUMXGGUDR-JSGCOSHPSA-N 1 0 259.390 2.323 10 0 CEAERO C[C@H](C[C@H]1CCC[NH2+]1)Nc1ccc(S(C)(=O)=O)cc1 ZINC000093462316 184678307 /nfs/dbraw/zinc/67/83/07/184678307.db2.gz DSAMENTZAXHJCG-DGCLKSJQSA-N 1 0 282.409 2.033 10 0 CEAERO C[C@H](C[C@@H]1CCC[NH2+]1)Nc1ccc(Cn2cncn2)cc1 ZINC000093463142 184678696 /nfs/dbraw/zinc/67/86/96/184678696.db2.gz GMXYLMYZALIVRW-CJNGLKHVSA-N 1 0 285.395 2.269 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)NC2(CC)CCC2)C1 ZINC000175992147 285267602 /nfs/dbraw/zinc/26/76/02/285267602.db2.gz VUVVXIXWVOMGPK-LBPRGKRZSA-N 1 0 253.390 2.103 10 0 CEAERO C[NH2+]CCCS(=O)(=O)c1ccc2ccccc2c1 ZINC000081945405 177906840 /nfs/dbraw/zinc/90/68/40/177906840.db2.gz ISGWAJIIMJNXBW-UHFFFAOYSA-N 1 0 263.362 2.223 10 0 CEAERO C[C@@H]([NH3+])CCCCS(=O)(=O)c1ccc(F)cc1F ZINC000081932372 177900771 /nfs/dbraw/zinc/90/07/71/177900771.db2.gz BTPNPLLNVXWYOG-SECBINFHSA-N 1 0 277.336 2.256 10 0 CEAERO CC[C@H](Sc1n[nH]c(=O)n1CC)[C@@H]([NH3+])c1ccccc1 ZINC000081879981 177873945 /nfs/dbraw/zinc/87/39/45/177873945.db2.gz XXBWZVWFYIKUJW-RYUDHWBXSA-N 1 0 292.408 2.162 10 0 CEAERO C[NH2+][C@@H](CSc1ncnc2[nH]cnc21)C(C)(C)C ZINC000081876437 177870840 /nfs/dbraw/zinc/87/08/40/177870840.db2.gz OGWAGYMFIWKBJG-QMMMGPOBSA-N 1 0 265.386 2.079 10 0 CEAERO C[NH2+][C@@H](c1ccccc1)[C@@H](C)SCC(=O)OC ZINC000081794293 177861116 /nfs/dbraw/zinc/86/11/16/177861116.db2.gz NYFZMRITAYVGKE-ZWNOBZJWSA-N 1 0 253.367 2.242 10 0 CEAERO CC[C@H]([NH2+]C)[C@H](C)Sc1nnnn1C1CCCC1 ZINC000081866704 177866584 /nfs/dbraw/zinc/86/65/84/177866584.db2.gz RRTMKUKPXIUQQQ-ONGXEEELSA-N 1 0 269.418 2.267 10 0 CEAERO CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1SCC(=O)OCC ZINC000081796412 177862547 /nfs/dbraw/zinc/86/25/47/177862547.db2.gz CMGULQHZQVXIGA-WOPDTQHZSA-N 1 0 259.415 2.449 10 0 CEAERO CN(C)c1nnc(S[C@H]2CCCCC[C@@H]2[NH3+])s1 ZINC000081769140 177856486 /nfs/dbraw/zinc/85/64/86/177856486.db2.gz JKHRLMSFVRKUDC-IUCAKERBSA-N 1 0 272.443 2.356 10 0 CEAERO O=C(CC1C[NH2+]C1)Nc1cc(Cl)ccc1-n1cccn1 ZINC000081749240 177853118 /nfs/dbraw/zinc/85/31/18/177853118.db2.gz DRQYJJZFMQXNCR-UHFFFAOYSA-N 1 0 290.754 2.074 10 0 CEAERO Cc1cc([C@H](C)NC(=O)CC2C[NH2+]C2)c(C)s1 ZINC000081747000 177852007 /nfs/dbraw/zinc/85/20/07/177852007.db2.gz JNLIRSBXCZPKIR-VIFPVBQESA-N 1 0 252.383 2.152 10 0 CEAERO [NH3+]C1CCC(Oc2nccc(C(F)(F)F)n2)CC1 ZINC000081587599 177825350 /nfs/dbraw/zinc/82/53/50/177825350.db2.gz OBNAZSTZYOWOJA-UHFFFAOYSA-N 1 0 261.247 2.144 10 0 CEAERO CCC[NH2+]Cc1ccnc(N2CC[C@H](COC)C2)c1 ZINC000081117217 177773600 /nfs/dbraw/zinc/77/36/00/177773600.db2.gz UNSZMKKMLDNEBI-AWEZNQCLSA-N 1 0 263.385 2.054 10 0 CEAERO COC[C@@H]1CCN(C(=O)CC[C@H](CC[NH3+])C(C)(C)C)C1 ZINC000081061154 177763417 /nfs/dbraw/zinc/76/34/17/177763417.db2.gz OJYQXTPODIWFDX-ZIAGYGMSSA-N 1 0 284.444 2.273 10 0 CEAERO COc1ccc(Br)c2ccnc(C[NH3+])c12 ZINC000521402090 256845439 /nfs/dbraw/zinc/84/54/39/256845439.db2.gz UQTMWVAEHHVLAP-UHFFFAOYSA-N 1 0 267.126 2.465 10 0 CEAERO Cn1ccnc1SC[C@H](C(N)=[NH2+])c1ccccc1 ZINC000080794502 177707952 /nfs/dbraw/zinc/70/79/52/177707952.db2.gz VUDBSRFKTCMUIS-NSHDSACASA-N 1 0 260.366 2.232 10 0 CEAERO CCOC(=O)C[C@@]1([NH+]2CCOCC2)CC[C@@H](CC)C1 ZINC000080687095 177691073 /nfs/dbraw/zinc/69/10/73/177691073.db2.gz VTBJWELCZVEZBV-UKRRQHHQSA-N 1 0 269.385 2.221 10 0 CEAERO C[NH2+]Cc1cccc2c1ccn2CC(=O)N(C)C(C)C ZINC000080335825 177643641 /nfs/dbraw/zinc/64/36/41/177643641.db2.gz WMPGSPUYXDROHY-UHFFFAOYSA-N 1 0 273.380 2.228 10 0 CEAERO CCc1ccc(O[C@@H]2CC[C@]([NH2+]C(C)C)(C(N)=O)C2)cc1 ZINC000093837099 184730724 /nfs/dbraw/zinc/73/07/24/184730724.db2.gz CQLSGEVXZNYSLU-NVXWUHKLSA-N 1 0 290.407 2.402 10 0 CEAERO Cc1cc(C)cc(O[C@H]2CC[C@@]([NH2+]C3CC3)(C(N)=O)C2)c1 ZINC000093845920 184731715 /nfs/dbraw/zinc/73/17/15/184731715.db2.gz ZCBIGNUBAZZXKB-YOEHRIQHSA-N 1 0 288.391 2.211 10 0 CEAERO CCC[NH2+][C@H](COC)Cc1ccc(OC)c(OC)c1 ZINC000093539751 184689329 /nfs/dbraw/zinc/68/93/29/184689329.db2.gz HBDZPLATHKLHNN-ZDUSSCGKSA-N 1 0 267.369 2.261 10 0 CEAERO CC[NH2+][C@]1(CO)CCC[C@H]1CCN(C)CC(F)(F)F ZINC000093617112 184696478 /nfs/dbraw/zinc/69/64/78/184696478.db2.gz BLBYKLFOGNTHRD-RYUDHWBXSA-N 1 0 282.350 2.011 10 0 CEAERO C[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCOC1CCC(C)CC1 ZINC000093620170 184697472 /nfs/dbraw/zinc/69/74/72/184697472.db2.gz IWXHOYDGNAJLNI-YWIABWOTSA-N 1 0 282.428 2.215 10 0 CEAERO COC(=O)[C@]1([NH3+])CCC[C@H]1CCOc1ccc(OC)cc1 ZINC000093625117 184698242 /nfs/dbraw/zinc/69/82/42/184698242.db2.gz GFJZGZHFQBDGBK-LRDDRELGSA-N 1 0 293.363 2.135 10 0 CEAERO Cc1nc2ccccc2n1CC[C@@H]1CCC[C@@]1(O)C[NH3+] ZINC000093627331 184698758 /nfs/dbraw/zinc/69/87/58/184698758.db2.gz YBHQYYRTBBMEMX-XJKSGUPXSA-N 1 0 273.380 2.225 10 0 CEAERO Cc1cc(C)nc(SCC[C@@H]2CCC[C@@]2(O)C[NH3+])n1 ZINC000093628290 184698932 /nfs/dbraw/zinc/69/89/32/184698932.db2.gz GVUAUUVUNFLASJ-GXTWGEPZSA-N 1 0 281.425 2.066 10 0 CEAERO Cc1c([C@@H](C[NH3+])N(C)c2ccc(C)cc2)cnn1C ZINC000093650734 184702830 /nfs/dbraw/zinc/70/28/30/184702830.db2.gz DXOGUMADWUNPPA-OAHLLOKOSA-N 1 0 258.369 2.173 10 0 CEAERO CCn1ncnc1C/C(C)=C/CC[NH2+]CC(C)C ZINC000093676309 184704117 /nfs/dbraw/zinc/70/41/17/184704117.db2.gz MSRMKJGVUXTZLW-NTUHNPAUSA-N 1 0 250.390 2.423 10 0 CEAERO CCS(=O)(=O)CCC/C=C/CC[NH2+]CC(C)C ZINC000093674305 184704397 /nfs/dbraw/zinc/70/43/97/184704397.db2.gz BNQYYSFCOVEDQW-AATRIKPKSA-N 1 0 261.431 2.393 10 0 CEAERO COC(=O)C(C)(C)COc1ccc([C@H](C)[NH3+])cc1OC ZINC000093714152 184708365 /nfs/dbraw/zinc/70/83/65/184708365.db2.gz CHKCBNYNVXHYIF-JTQLQIEISA-N 1 0 281.352 2.293 10 0 CEAERO OC[C@]1([NH2+]C2CC2)CCC[C@@H](Sc2nncs2)C1 ZINC000093786743 184722002 /nfs/dbraw/zinc/72/20/02/184722002.db2.gz NLYCEKLUDABFGW-PWSUYJOCSA-N 1 0 285.438 2.056 10 0 CEAERO c1ccc2c(c1)OCC[C@@H]2N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094449470 184802370 /nfs/dbraw/zinc/80/23/70/184802370.db2.gz WWQMDTTXUKDSJL-HIFRSBDPSA-N 1 0 258.365 2.290 10 0 CEAERO CCC[NH2+][C@@H](C)c1cc(F)ccc1SC[C@H](O)CO ZINC000093958083 184745682 /nfs/dbraw/zinc/74/56/82/184745682.db2.gz XUCJKAGTGVLVBN-CMPLNLGQSA-N 1 0 287.400 2.332 10 0 CEAERO CCCN(CC1CC[NH2+]CC1)C(=O)c1cncc(C)c1 ZINC000094022644 184751401 /nfs/dbraw/zinc/75/14/01/184751401.db2.gz MJPRKQKAWFKZFT-UHFFFAOYSA-N 1 0 275.396 2.242 10 0 CEAERO CCN(CC1CC[NH2+]CC1)c1ccc(Cl)cc1C(N)=O ZINC000094043411 184751682 /nfs/dbraw/zinc/75/16/82/184751682.db2.gz YXNBQPVNZYCLIA-UHFFFAOYSA-N 1 0 295.814 2.265 10 0 CEAERO CC(=O)Nc1ccc(F)c(NC2CCC([NH3+])CC2)c1 ZINC000094077047 184754262 /nfs/dbraw/zinc/75/42/62/184754262.db2.gz XLNSZBWDIJBPHD-UHFFFAOYSA-N 1 0 265.332 2.466 10 0 CEAERO Cc1ccccc1N(CCC[NH3+])C(=O)[C@@H]1CCO[C@@H]1C ZINC000094173440 184759089 /nfs/dbraw/zinc/75/90/89/184759089.db2.gz KXRXZYQXOKLNSW-ZIAGYGMSSA-N 1 0 276.380 2.102 10 0 CEAERO CC[NH2+][C@@H](Cc1nc2ccccc2n1CC)CN(C)C ZINC000094171905 184759110 /nfs/dbraw/zinc/75/91/10/184759110.db2.gz PYHMMGGPWYSLKF-ZDUSSCGKSA-N 1 0 274.412 2.138 10 0 CEAERO CCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCO[C@@H]2C)CC1 ZINC000094173413 184759154 /nfs/dbraw/zinc/75/91/54/184759154.db2.gz JROJTNJRBXRJFN-URGYJCLVSA-N 1 0 282.428 2.181 10 0 CEAERO CCC([NH3+])(CC)C(=O)Nc1cccc(COCCOC)c1 ZINC000094244354 184768982 /nfs/dbraw/zinc/76/89/82/184768982.db2.gz ZKVYZVYKFNRKSC-UHFFFAOYSA-N 1 0 294.395 2.306 10 0 CEAERO C[NH2+][C@H]1[C@H](N(C)Cc2cnn(C)c2)CCCC1(C)C ZINC000094274401 184774581 /nfs/dbraw/zinc/77/45/81/184774581.db2.gz MESQYFKRFZIIJS-KGLIPLIRSA-N 1 0 264.417 2.019 10 0 CEAERO CCC[NH2+][C@H]1[C@@H](S(=O)(=O)CC)CCCC1(C)C ZINC000094281518 184774938 /nfs/dbraw/zinc/77/49/38/184774938.db2.gz NNQZGCXWGRVDAE-RYUDHWBXSA-N 1 0 261.431 2.368 10 0 CEAERO COC(=O)c1ccc(Cl)cc1NC(=O)CC1([NH3+])CCC1 ZINC000094293789 184777376 /nfs/dbraw/zinc/77/73/76/184777376.db2.gz VRSZVWKQABAUQM-UHFFFAOYSA-N 1 0 296.754 2.337 10 0 CEAERO CC(C)Cn1ncnc1C[C@@]1([NH3+])CCCC1(C)C ZINC000094309503 184778449 /nfs/dbraw/zinc/77/84/49/184778449.db2.gz HLQGUUNQTIMUPG-AWEZNQCLSA-N 1 0 250.390 2.384 10 0 CEAERO [NH3+]CCc1cc(F)c(OCc2ccno2)c(F)c1 ZINC000094349852 184786854 /nfs/dbraw/zinc/78/68/54/184786854.db2.gz IAHHQKNZNIDRRS-UHFFFAOYSA-N 1 0 254.236 2.033 10 0 CEAERO CC(C)[NH2+]CCO[C@H]1CCO[C@]2(CCSC2)C1 ZINC000094380982 184791390 /nfs/dbraw/zinc/79/13/90/184791390.db2.gz COXQPETZADVTKW-QWHCGFSZSA-N 1 0 259.415 2.056 10 0 CEAERO CCO[C@H](C)[C@@H]([NH3+])[C@@H]1CCOC2(CCSCC2)C1 ZINC000094403602 184793262 /nfs/dbraw/zinc/79/32/62/184793262.db2.gz GPQHVDGLJGRZSN-JHJVBQTASA-N 1 0 273.442 2.431 10 0 CEAERO CCC[NH2+]CC[C@](C)(O)[C@@H]1CCOC2(CCOCC2)C1 ZINC000094418674 184794979 /nfs/dbraw/zinc/79/49/79/184794979.db2.gz OTNFDQPWCQPKGU-CABCVRRESA-N 1 0 285.428 2.103 10 0 CEAERO CCC[NH2+]Cc1cn([C@H]2CCO[C@]3(CCOC3)C2)nc1C ZINC000094414643 184795016 /nfs/dbraw/zinc/79/50/16/184795016.db2.gz HFXPUFVRFIVGFE-JKSUJKDBSA-N 1 0 293.411 2.202 10 0 CEAERO C(=C/[C@H]1CCO[C@@]2(CCOC2)C1)\CC[NH2+]C1CC1 ZINC000094419415 184795034 /nfs/dbraw/zinc/79/50/34/184795034.db2.gz CIECGPWTOTWLRD-CEOZUFNFSA-N 1 0 251.370 2.270 10 0 CEAERO CC[C@H]1CN(CCn2cccn2)c2ccccc2C[NH2+]1 ZINC000094421360 184795343 /nfs/dbraw/zinc/79/53/43/184795343.db2.gz JZWBYRPAKFPFKF-HNNXBMFYSA-N 1 0 270.380 2.272 10 0 CEAERO [NH3+][C@@H]1Cc2ccccc2[C@@H]1Nc1ccc2nccnc2n1 ZINC000094727543 184848554 /nfs/dbraw/zinc/84/85/54/184848554.db2.gz ZPOGXKXLFJIECC-DOMZBBRYSA-N 1 0 277.331 2.061 10 0 CEAERO [NH3+][C@H]1CCCCC[C@H]1C(=O)NCCc1cccs1 ZINC000094749264 184852508 /nfs/dbraw/zinc/85/25/08/184852508.db2.gz UPKKMEZXUSUUIL-OLZOCXBDSA-N 1 0 266.410 2.314 10 0 CEAERO CC(C)CC[N@H+]([C@@H](CN)CC(=O)N(C)C)C1CCCC1 ZINC000094847329 184880096 /nfs/dbraw/zinc/88/00/96/184880096.db2.gz UVIGGTFBVXQKBN-OAHLLOKOSA-N 1 0 283.460 2.083 10 0 CEAERO CCC[NH2+][C@@H](CCCS(=O)(=O)CC)[C@@]1(C)CCCO1 ZINC000094784838 184862781 /nfs/dbraw/zinc/86/27/81/184862781.db2.gz STSBBRXUFNZLQL-UONOGXRCSA-N 1 0 291.457 2.139 10 0 CEAERO CC[NH2+][C@@H](Cc1nc([C@@]2(C)CCCO2)no1)C(C)C ZINC000094785990 184863578 /nfs/dbraw/zinc/86/35/78/184863578.db2.gz LIGWEYOPLXFFEQ-SMDDNHRTSA-N 1 0 267.373 2.272 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)N(CC(C)C)C1CCCC1 ZINC000094847423 184880017 /nfs/dbraw/zinc/88/00/17/184880017.db2.gz RYDTZGDSIVKEMO-CVEARBPZSA-N 1 0 296.455 2.428 10 0 CEAERO C[C@@]1(C[NH2+][C@]2(CN)CCCCC2(C)C)CCCO1 ZINC000094799956 184867980 /nfs/dbraw/zinc/86/79/80/184867980.db2.gz FUCXWIPVLBRGBM-GJZGRUSLSA-N 1 0 254.418 2.443 10 0 CEAERO CCC[C@@H](CC[NH3+])CCC(=O)NC[C@]1(C)CCCO1 ZINC000094802551 184868501 /nfs/dbraw/zinc/86/85/01/184868501.db2.gz TYQJGQGLZBLFSH-HIFRSBDPSA-N 1 0 270.417 2.217 10 0 CEAERO CCOC1CCN([C@]2(C[NH3+])CSCCC2(C)C)CC1 ZINC000094484051 184808678 /nfs/dbraw/zinc/80/86/78/184808678.db2.gz SHAYJSGSABMAQF-OAHLLOKOSA-N 1 0 286.485 2.348 10 0 CEAERO C1CC(c2nc([C@H]3CSCCS3)no2)CC[NH2+]1 ZINC000094495956 184810276 /nfs/dbraw/zinc/81/02/76/184810276.db2.gz LZPFJLJGKHHKIM-SECBINFHSA-N 1 0 271.411 2.058 10 0 CEAERO Cc1cc(C)c(C(=O)N2C[C@H](C)C[C@@H]([NH3+])C2)c(C)c1 ZINC000094548976 184816047 /nfs/dbraw/zinc/81/60/47/184816047.db2.gz OWBGDLHCKJPARM-BXUZGUMPSA-N 1 0 260.381 2.421 10 0 CEAERO C[C@@H]1C[C@H]([NH3+])CN(C(=O)c2ccc(Br)cc2)C1 ZINC000094549614 184816960 /nfs/dbraw/zinc/81/69/60/184816960.db2.gz TWTFJDLGBVNSQT-SKDRFNHKSA-N 1 0 297.196 2.258 10 0 CEAERO Cc1ccc(Cl)cc1NC(=O)CN1C[C@H](C)C[C@H]([NH3+])C1 ZINC000094552737 184816993 /nfs/dbraw/zinc/81/69/93/184816993.db2.gz VYBKSYHYWCUDNZ-MFKMUULPSA-N 1 0 295.814 2.256 10 0 CEAERO [NH3+]C[C@H]1CC[C@H](C(=O)Nc2ccc(C(F)(F)F)cc2)O1 ZINC000094563267 184818623 /nfs/dbraw/zinc/81/86/23/184818623.db2.gz XAFJXENDDJSSML-GHMZBOCLSA-N 1 0 288.269 2.150 10 0 CEAERO Cc1cccn2nc(NC[C@H]([NH3+])c3ccccc3)nc12 ZINC000094607843 184825509 /nfs/dbraw/zinc/82/55/09/184825509.db2.gz HWURPXRYGPXPPG-ZDUSSCGKSA-N 1 0 267.336 2.150 10 0 CEAERO CCC[NH2+][C@@H](COC(C)C)Cc1ccc(OC)nc1 ZINC000094633376 184830861 /nfs/dbraw/zinc/83/08/61/184830861.db2.gz RFEBKGSEHWFEIM-CQSZACIVSA-N 1 0 266.385 2.426 10 0 CEAERO Cc1ccc(F)c(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000094647158 184832949 /nfs/dbraw/zinc/83/29/49/184832949.db2.gz JVQXQWSEHDJFBD-WDEREUQCSA-N 1 0 250.317 2.461 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1c(F)cc(F)cc1F ZINC000094648684 184833633 /nfs/dbraw/zinc/83/36/33/184833633.db2.gz DNIZNGNYGHWSFH-CBAPKCEASA-N 1 0 272.270 2.431 10 0 CEAERO C[NH2+][C@@H](c1cc(OC)cc(OC)c1)[C@H]1CCCOC1 ZINC000094651337 184834781 /nfs/dbraw/zinc/83/47/81/184834781.db2.gz HCNPFGYPMUFOCL-XHDPSFHLSA-N 1 0 265.353 2.391 10 0 CEAERO COCC[NH2+][C@H](C)[C@@H](C)[C@@H]1CCOC2(CCOCC2)C1 ZINC000094656439 184835493 /nfs/dbraw/zinc/83/54/93/184835493.db2.gz ISUUCJBCCRQTOU-RBSFLKMASA-N 1 0 285.428 2.223 10 0 CEAERO CC(C)C[C@H](C[NH3+])C(=O)N(CC(F)(F)F)C1CC1 ZINC000094699805 184842374 /nfs/dbraw/zinc/84/23/74/184842374.db2.gz XKGKXDBXRRTOAW-SECBINFHSA-N 1 0 266.307 2.161 10 0 CEAERO CC(C)C[C@@H](C[NH3+])C(=O)NCc1cc2c(s1)CCC2 ZINC000094699367 184842431 /nfs/dbraw/zinc/84/24/31/184842431.db2.gz IUNNARGTURRAOF-LBPRGKRZSA-N 1 0 280.437 2.474 10 0 CEAERO CC(=O)c1ccc(NC(=O)[C@H](C[NH3+])CC(C)C)cc1 ZINC000094699599 184842489 /nfs/dbraw/zinc/84/24/89/184842489.db2.gz UJFGBEWDUVCYRS-ZDUSSCGKSA-N 1 0 262.353 2.449 10 0 CEAERO CC(C)C[C@H](C[NH3+])C(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000094699871 184842540 /nfs/dbraw/zinc/84/25/40/184842540.db2.gz KXBITAANHNVMKL-KFWWJZLASA-N 1 0 260.381 2.280 10 0 CEAERO CC(C)C[C@@H](C[NH3+])c1nc2cc(S(C)(=O)=O)ccc2[nH]1 ZINC000094703700 184844333 /nfs/dbraw/zinc/84/43/33/184844333.db2.gz UHRAHQKEAIMKPF-JTQLQIEISA-N 1 0 295.408 2.055 10 0 CEAERO C[NH2+][C@@](C)(CSCc1cc(C)cc(C)c1)C(N)=O ZINC000094719283 184846887 /nfs/dbraw/zinc/84/68/87/184846887.db2.gz GTZATVBNKBRCJG-AWEZNQCLSA-N 1 0 266.410 2.000 10 0 CEAERO C[C@H]([NH3+])c1ccnc(Sc2nnnn2-c2ccccc2)c1 ZINC000095002366 184913820 /nfs/dbraw/zinc/91/38/20/184913820.db2.gz BFQPGDKAIVAHSN-JTQLQIEISA-N 1 0 298.375 2.228 10 0 CEAERO CCOCCCC(=O)N(CCC[NH3+])c1ccc(F)cc1 ZINC000095033461 184919827 /nfs/dbraw/zinc/91/98/27/184919827.db2.gz AHZORUPONFGIMR-UHFFFAOYSA-N 1 0 282.359 2.324 10 0 CEAERO CCCN(C(=O)C[C@@H](C)COC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000095036736 184920492 /nfs/dbraw/zinc/92/04/92/184920492.db2.gz XFNNMMPAPXCVMN-JKXDFHQYSA-N 1 0 282.428 2.181 10 0 CEAERO CCOCCCc1nc2cc(C[NH3+])ccc2n1CC ZINC000095038334 184921871 /nfs/dbraw/zinc/92/18/71/184921871.db2.gz MSQHCWQHUNRJSB-UHFFFAOYSA-N 1 0 261.369 2.484 10 0 CEAERO Clc1nccc(OCCC[C@H]2CCC[NH2+]C2)n1 ZINC000095070350 184932192 /nfs/dbraw/zinc/93/21/92/184932192.db2.gz KDZYWUUASSHSQU-SNVBAGLBSA-N 1 0 255.749 2.289 10 0 CEAERO O=C(COCCC[C@H]1CCCC[NH2+]1)c1nccs1 ZINC000095072952 184934633 /nfs/dbraw/zinc/93/46/33/184934633.db2.gz GKKJJXPJIKENAW-LLVKDONJSA-N 1 0 268.382 2.265 10 0 CEAERO COc1ccc(F)c(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000094855680 184881735 /nfs/dbraw/zinc/88/17/35/184881735.db2.gz XKWNIEVPISNITC-GXSJLCMTSA-N 1 0 266.316 2.161 10 0 CEAERO CC[NH2+][C@@H](Cc1ncnn1C)c1cscc1C ZINC000094864212 184884285 /nfs/dbraw/zinc/88/42/85/184884285.db2.gz BMNBTMAUVIHJGU-NSHDSACASA-N 1 0 250.371 2.078 10 0 CEAERO Cc1ccsc1CNC(=O)C(C)(C)C(C)(C)[NH3+] ZINC000094876473 184885146 /nfs/dbraw/zinc/88/51/46/184885146.db2.gz ACNIZGKSRZFYCP-UHFFFAOYSA-N 1 0 254.399 2.436 10 0 CEAERO CCc1ccsc1CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000094877109 184886185 /nfs/dbraw/zinc/88/61/85/184886185.db2.gz ADKQLLYTRHRSEV-GHMZBOCLSA-N 1 0 252.383 2.054 10 0 CEAERO CCN(C[C@@H](C)C[NH3+])c1ncnc2c1CCCCC2 ZINC000094887324 184888316 /nfs/dbraw/zinc/88/83/16/184888316.db2.gz NLZIGCITQXUUGK-LBPRGKRZSA-N 1 0 262.401 2.167 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1Oc1ncnc2c1CCCCC2 ZINC000094888419 184888692 /nfs/dbraw/zinc/88/86/92/184888692.db2.gz KCVPTZQNFFXYKP-RISCZKNCSA-N 1 0 261.369 2.252 10 0 CEAERO Cc1csc(Cn2ccnc2C[NH2+]C(C)C)n1 ZINC000094970369 184908479 /nfs/dbraw/zinc/90/84/79/184908479.db2.gz UJIUIKWUCFMEBC-UHFFFAOYSA-N 1 0 250.371 2.194 10 0 CEAERO C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000190591932 130123445 /nfs/dbraw/zinc/12/34/45/130123445.db2.gz WWYYIUKSHMFFRA-XQQFMLRXSA-N 1 0 296.436 2.282 10 0 CEAERO CC(C)=CCNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000191818846 130310777 /nfs/dbraw/zinc/31/07/77/130310777.db2.gz PYGNDFZMNMRJTI-HNNXBMFYSA-N 1 0 260.381 2.242 10 0 CEAERO C[C@H](c1ccco1)N(C)C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262480642 131224606 /nfs/dbraw/zinc/22/46/06/131224606.db2.gz XWDKJWPXURGBHH-TUAOUCFPSA-N 1 0 250.342 2.187 10 0 CEAERO C[S@@](=O)Cc1cccc(NC(=O)CCCCCC[NH3+])c1 ZINC000262660191 131248063 /nfs/dbraw/zinc/24/80/63/131248063.db2.gz ZAXSJIHNYWEWQT-HXUWFJFHSA-N 1 0 296.436 2.413 10 0 CEAERO Cc1cc([C@@H](NC(=O)[C@H](C)[NH3+])C2CC2)ccc1F ZINC000262694660 131251172 /nfs/dbraw/zinc/25/11/72/131251172.db2.gz CJOFIMVAWDSIQE-ZANVPECISA-N 1 0 250.317 2.049 10 0 CEAERO CCc1nc(-c2ccncc2)cc(N2CCC([NH3+])CC2)n1 ZINC000070451898 134442147 /nfs/dbraw/zinc/44/21/47/134442147.db2.gz CIJZTZSYLDKJJJ-UHFFFAOYSA-N 1 0 283.379 2.029 10 0 CEAERO C[C@@H]1Cc2ccccc2N(C(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000079521572 134492484 /nfs/dbraw/zinc/49/24/84/134492484.db2.gz LCOBNBZQKUUGKV-MLGOLLRUSA-N 1 0 258.365 2.354 10 0 CEAERO C[C@@H]([NH3+])c1c(F)cccc1N1C[C@H](C)OC[C@H]1C ZINC000035786985 134804704 /nfs/dbraw/zinc/80/47/04/134804704.db2.gz DVZHFSHAIHGTRX-OUAUKWLOSA-N 1 0 252.333 2.459 10 0 CEAERO O=C(C1CC[NH2+]CC1)N1CCSc2ccccc21 ZINC000040854946 134872491 /nfs/dbraw/zinc/87/24/91/134872491.db2.gz QLLHXOIGTMAYAJ-UHFFFAOYSA-N 1 0 262.378 2.125 10 0 CEAERO CC(C)([NH3+])CC(=O)N1CCSc2ccccc21 ZINC000084184645 135031997 /nfs/dbraw/zinc/03/19/97/135031997.db2.gz CMJOTLOQSMZHIP-UHFFFAOYSA-N 1 0 250.367 2.253 10 0 CEAERO CC(C)[NH2+]Cc1c(Cl)cccc1N1CCN(C)C(=O)C1 ZINC000084205928 135032624 /nfs/dbraw/zinc/03/26/24/135032624.db2.gz RMJVBZVXZGUIOZ-UHFFFAOYSA-N 1 0 295.814 2.116 10 0 CEAERO C[NH2+][C@](C)(CO)CCN1c2ccccc2CC[C@@H]1C ZINC000085215603 135035577 /nfs/dbraw/zinc/03/55/77/135035577.db2.gz BBIZLAZHRJJORM-BBRMVZONSA-N 1 0 262.397 2.188 10 0 CEAERO Cc1ccc2c(c1)CCCN2CCC[C@@](C)(O)C[NH3+] ZINC000085303973 135035579 /nfs/dbraw/zinc/03/55/79/135035579.db2.gz GQTPNNGYELQPLA-MRXNPFEDSA-N 1 0 262.397 2.238 10 0 CEAERO C[C@](O)(C[NH3+])CCCCN1CCCc2ccccc21 ZINC000085304215 135036155 /nfs/dbraw/zinc/03/61/55/135036155.db2.gz QEQZAIKGVHCBKZ-MRXNPFEDSA-N 1 0 262.397 2.319 10 0 CEAERO Cc1cccc2c1N(C(=O)[C@@H]1CCC[C@H]1[NH3+])CCC2 ZINC000085371953 135036676 /nfs/dbraw/zinc/03/66/76/135036676.db2.gz POPQDUHMNISBIN-ZIAGYGMSSA-N 1 0 258.365 2.402 10 0 CEAERO COc1ccc(OC)c(N2CC[NH2+][C@](C)(C3CC3)C2)c1 ZINC000086123184 135038734 /nfs/dbraw/zinc/03/87/34/135038734.db2.gz GRLDFYBFKOPDFY-INIZCTEOSA-N 1 0 276.380 2.282 10 0 CEAERO COCc1cccc(N2CC[NH2+][C@](C)(C3CC3)C2)c1 ZINC000086143431 135039180 /nfs/dbraw/zinc/03/91/80/135039180.db2.gz RSIBJMMULWMRSE-INIZCTEOSA-N 1 0 260.381 2.411 10 0 CEAERO COCc1ccccc1N1CC[NH2+][C@](C)(C2CC2)C1 ZINC000086143485 135039225 /nfs/dbraw/zinc/03/92/25/135039225.db2.gz HORFQZMIODEKOP-INIZCTEOSA-N 1 0 260.381 2.411 10 0 CEAERO Fc1cc(F)c(N2CC[NH2+][C@H](C3CC3)C2)cc1F ZINC000086147825 135039352 /nfs/dbraw/zinc/03/93/52/135039352.db2.gz TXFCBDHNQCKGOM-LBPRGKRZSA-N 1 0 256.271 2.292 10 0 CEAERO C[C@@H]1CCC[C@]1(C[NH3+])N1CCN(c2ccccc2)CC1 ZINC000086676378 135048256 /nfs/dbraw/zinc/04/82/56/135048256.db2.gz PAVMGDQTNDKNBY-NVXWUHKLSA-N 1 0 273.424 2.326 10 0 CEAERO Nc1ccc(Br)cc1N1CC[NH+](C2CC2)CC1 ZINC000087835104 135052086 /nfs/dbraw/zinc/05/20/86/135052086.db2.gz OZXWFSVOZOYLAL-UHFFFAOYSA-N 1 0 296.212 2.316 10 0 CEAERO CCCC1CCN(c2nc(NN)[nH+]cc2Cl)CC1 ZINC000087869181 135052101 /nfs/dbraw/zinc/05/21/01/135052101.db2.gz ZIHLOSZDDWKDJT-UHFFFAOYSA-N 1 0 269.780 2.432 10 0 CEAERO NC(=O)c1ccc(N2CC[NH2+]CC23CCCCC3)c(F)c1 ZINC000088396695 135054154 /nfs/dbraw/zinc/05/41/54/135054154.db2.gz XAQOUNYDBYIDAS-UHFFFAOYSA-N 1 0 291.370 2.037 10 0 CEAERO CC[NH2+][C@H]1CCN(Cc2ncnn2CC)c2ccccc21 ZINC000088584878 135055154 /nfs/dbraw/zinc/05/51/54/135055154.db2.gz YIRYILPQTUEJSK-AWEZNQCLSA-N 1 0 285.395 2.359 10 0 CEAERO FC(F)(F)OCCOc1cccc(N2CC[NH2+]CC2)c1 ZINC000089056380 135057691 /nfs/dbraw/zinc/05/76/91/135057691.db2.gz FZTYEARHIRTTEG-UHFFFAOYSA-N 1 0 290.285 2.011 10 0 CEAERO CC[NH2+]CCCS(=O)(=O)N1CCCc2cc(C)ccc21 ZINC000088928794 135057765 /nfs/dbraw/zinc/05/77/65/135057765.db2.gz JSXVSTQNFRTNIR-UHFFFAOYSA-N 1 0 296.436 2.077 10 0 CEAERO CCOc1cc(N2CCC[C@H](C[NH2+]CC(C)C)C2)ncn1 ZINC000090784631 135064629 /nfs/dbraw/zinc/06/46/29/135064629.db2.gz LZXZWMXVUUCUSM-CQSZACIVSA-N 1 0 292.427 2.337 10 0 CEAERO C[C@@H]1CSCCN1c1cncc(C[NH2+]C(C)(C)C)n1 ZINC000091421831 135069411 /nfs/dbraw/zinc/06/94/11/135069411.db2.gz HYSISHNHEDTTCB-LLVKDONJSA-N 1 0 280.441 2.306 10 0 CEAERO C[NH2+]Cc1cncc(N2CCC[C@H]3CCCC[C@@H]32)n1 ZINC000091419608 135069455 /nfs/dbraw/zinc/06/94/55/135069455.db2.gz ZNGXPSWSMRZISY-OCCSQVGLSA-N 1 0 260.385 2.355 10 0 CEAERO CSC1(C[NH3+])CCN(c2ncnc3sccc32)CC1 ZINC000091476907 135071088 /nfs/dbraw/zinc/07/10/88/135071088.db2.gz AUJFDQVMFPHYHC-UHFFFAOYSA-N 1 0 294.449 2.352 10 0 CEAERO Cc1ccc2c(c1)CCCN2C(=O)[C@H]1C=C[C@H]([NH3+])C1 ZINC000092201680 135075897 /nfs/dbraw/zinc/07/58/97/135075897.db2.gz FWVYPBHJQVFNQR-KBPBESRZSA-N 1 0 256.349 2.178 10 0 CEAERO CC(C)[NH2+]C[C@H](C)[C@H](C)N1CCN(c2ccccn2)CC1 ZINC000093068426 135079045 /nfs/dbraw/zinc/07/90/45/135079045.db2.gz ZFXIXSUCXDFNII-HOTGVXAUSA-N 1 0 290.455 2.226 10 0 CEAERO [NH3+]Cc1ccc(C(F)(F)F)nc1N1CCSCC1 ZINC000094334097 135085964 /nfs/dbraw/zinc/08/59/64/135085964.db2.gz RYDWMOKKVBRXIW-UHFFFAOYSA-N 1 0 277.315 2.112 10 0 CEAERO Nc1ccc(N2CC[N@@H+]3CCCC[C@@H]3C2)c2ncccc12 ZINC000094438993 135087706 /nfs/dbraw/zinc/08/77/06/135087706.db2.gz ZAEDIQLXURPOKG-CYBMUJFWSA-N 1 0 282.391 2.492 10 0 CEAERO CC(=O)c1ccc(N2CC[N@@H+]3CCCC[C@@H]3C2)cc1O ZINC000094439652 135088031 /nfs/dbraw/zinc/08/80/31/135088031.db2.gz BOTWAZQVVNVCNC-CQSZACIVSA-N 1 0 274.364 2.269 10 0 CEAERO C[C@H]1C[C@H](CC[N@@H+]2CCNC(=O)CC2)C[C@@H](C)C1 ZINC000246293292 394513423 /nfs/dbraw/zinc/51/34/23/394513423.db2.gz UUAOKOLQOVWLBK-WDNDVIMCSA-N 1 0 252.402 2.271 10 0 CEAERO C[C@@H]1CC[C@@H](C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)O1 ZINC000245987277 394507464 /nfs/dbraw/zinc/50/74/64/394507464.db2.gz HULUZNLSVGXGNL-KFWWJZLASA-N 1 0 280.412 2.031 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)/C=C\c1cccnc1 ZINC000255886936 394592600 /nfs/dbraw/zinc/59/26/00/394592600.db2.gz UUNQLHXXOCPKAS-KTYGHDLGSA-N 1 0 285.391 2.180 10 0 CEAERO Cc1nc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)sc1C ZINC000252840722 394574643 /nfs/dbraw/zinc/57/46/43/394574643.db2.gz BTPLUEPXJAYNOV-SDDRHHMPSA-N 1 0 251.399 2.324 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCSCC[C@@H]2C)C1 ZINC000253281265 394576896 /nfs/dbraw/zinc/57/68/96/394576896.db2.gz WODUGIDHADTUIZ-RDBSUJKOSA-N 1 0 299.484 2.252 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCc2cccs2)C1 ZINC000048732524 394525493 /nfs/dbraw/zinc/52/54/93/394525493.db2.gz QJEUFYZLPXSTSN-LLVKDONJSA-N 1 0 267.398 2.032 10 0 CEAERO CCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000309901962 394533663 /nfs/dbraw/zinc/53/36/63/394533663.db2.gz IPKGVEPBWKBYCO-OWCLPIDISA-N 1 0 272.392 2.423 10 0 CEAERO CC(C)[C@@H]1CCCN(C(=O)[C@H]([NH3+])C2CCOCC2)CC1 ZINC000261967670 394610352 /nfs/dbraw/zinc/61/03/52/394610352.db2.gz LJFOISPFNKYWDH-UKRRQHHQSA-N 1 0 282.428 2.025 10 0 CEAERO CCCC[C@H](CC)[NH2+]C1CC([N@H+](CC)CC(=O)[O-])C1 ZINC000263530116 394629049 /nfs/dbraw/zinc/62/90/49/394629049.db2.gz WBKACBGUKJVONL-HSBZDZAISA-N 1 0 270.417 2.482 10 0 CEAERO CCOC(=O)CCCCCN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000083748605 394640949 /nfs/dbraw/zinc/64/09/49/394640949.db2.gz ALNHTPKPRXDNPH-GJZGRUSLSA-N 1 0 282.428 2.278 10 0 CEAERO C[C@H]1CN(c2nc3ccccc3nc2Cl)CC[NH2+]1 ZINC000095069518 394672309 /nfs/dbraw/zinc/67/23/09/394672309.db2.gz VJZSNYATYXMDAD-VIFPVBQESA-N 1 0 262.744 2.081 10 0 CEAERO C[C@@H]1C[C@@H]([NH2+]CC(=O)NCC(F)F)CC(C)(C)C1 ZINC000360766398 394807726 /nfs/dbraw/zinc/80/77/26/394807726.db2.gz RWGQITBADZAZKR-NXEZZACHSA-N 1 0 262.344 2.172 10 0 CEAERO CC[C@@](C)(O)C[NH+]1CCN(Cc2cccc(C)c2)CC1 ZINC000123043950 394821788 /nfs/dbraw/zinc/82/17/88/394821788.db2.gz CLRRQTOBSDCKTO-QGZVFWFLSA-N 1 0 276.424 2.274 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)NCC2(C(C)C)CC2)[C@@H](C)C1 ZINC000123035197 394821830 /nfs/dbraw/zinc/82/18/30/394821830.db2.gz YAPFWCWFWUAYIH-KBPBESRZSA-N 1 0 281.444 2.451 10 0 CEAERO Cc1oncc1CN[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000129717560 394871572 /nfs/dbraw/zinc/87/15/72/394871572.db2.gz ZSBDKBLMDKDNRG-SNVBAGLBSA-N 1 0 294.376 2.237 10 0 CEAERO CC[C@@](C)(O)CN1CC[NH+](CCC(C)(C)C)CC1 ZINC000123439559 394827599 /nfs/dbraw/zinc/82/75/99/394827599.db2.gz JUXIJOTYQRFXQB-OAHLLOKOSA-N 1 0 256.434 2.201 10 0 CEAERO CC[C@H](O)C[NH+]1CCN([C@@H](C)c2ccccc2C)CC1 ZINC000133974095 394955305 /nfs/dbraw/zinc/95/53/05/394955305.db2.gz YDKBJJBPURHYOH-HOTGVXAUSA-N 1 0 276.424 2.445 10 0 CEAERO [NH3+]C1(C(=O)Nc2cccc3ccccc32)CCOCC1 ZINC000132056075 394923936 /nfs/dbraw/zinc/92/39/36/394923936.db2.gz OCBTWDXLPSJMHA-UHFFFAOYSA-N 1 0 270.332 2.286 10 0 CEAERO C[C@H]([NH2+][C@H]1CCO[C@H]1C)c1nc2ccccc2n1C ZINC000134239422 394956917 /nfs/dbraw/zinc/95/69/17/394956917.db2.gz FHNXAELKQXDSMM-SRVKXCTJSA-N 1 0 259.353 2.401 10 0 CEAERO CCC[NH+](CCC)CCCNC(=O)[C@H]1CC[C@H](C)O1 ZINC000152099413 394986962 /nfs/dbraw/zinc/98/69/62/394986962.db2.gz STLITDHYFBDONQ-UONOGXRCSA-N 1 0 270.417 2.182 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)CCO[C@@H](C)CC(C)C)C1 ZINC000152292251 394992620 /nfs/dbraw/zinc/99/26/20/394992620.db2.gz DZFIZKCIIFBHQE-GJZGRUSLSA-N 1 0 284.444 2.428 10 0 CEAERO CO[C@H]1C[C@@H](CO)[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000343973870 395047932 /nfs/dbraw/zinc/04/79/32/395047932.db2.gz HLGICPSLAHZDKN-STQMWFEESA-N 1 0 289.297 2.287 10 0 CEAERO CCC[C@@H](C(=O)N1CC[C@@H](Nc2ccccc2)C1)[NH+](C)C ZINC000161985694 395068005 /nfs/dbraw/zinc/06/80/05/395068005.db2.gz QZADQSGZSTTZTJ-CVEARBPZSA-N 1 0 289.423 2.430 10 0 CEAERO C[C@@H]1CCN(C(=O)CSC(C)(C)C)[C@@H](C[NH3+])C1 ZINC000235268548 296507942 /nfs/dbraw/zinc/50/79/42/296507942.db2.gz JTYDFRFROCKCRQ-GHMZBOCLSA-N 1 0 258.431 2.104 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@H](C)c2csc(C)c2)C1 ZINC000381427675 395175520 /nfs/dbraw/zinc/17/55/20/395175520.db2.gz BYXRMHGBSBBOJN-TZMCWYRMSA-N 1 0 268.426 2.428 10 0 CEAERO CNC(=O)CCC[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000398358786 395234192 /nfs/dbraw/zinc/23/41/92/395234192.db2.gz MCFFLPNIVHUBFG-VHSXEESVSA-N 1 0 266.307 2.223 10 0 CEAERO CO[C@H](C)C[N@@H+]1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000182183469 395237598 /nfs/dbraw/zinc/23/75/98/395237598.db2.gz QGBOSHYIJFGFOQ-KGLIPLIRSA-N 1 0 263.385 2.159 10 0 CEAERO O[C@@H]1CC[C@H]2C[N@H+](CCOc3ccc(F)cc3)C[C@@H]2C1 ZINC000398905960 395239715 /nfs/dbraw/zinc/23/97/15/395239715.db2.gz HMLUXSCOTYEWSE-KCQAQPDRSA-N 1 0 279.355 2.297 10 0 CEAERO CN(CCOCc1ccccc1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000384009836 395189002 /nfs/dbraw/zinc/18/90/02/395189002.db2.gz KSRXXDAYCYYAOV-HOTGVXAUSA-N 1 0 290.407 2.037 10 0 CEAERO COc1cccc(C[N@@H+]2CCC[C@H](O)[C@@H]2C)c1F ZINC000384961291 395196402 /nfs/dbraw/zinc/19/64/02/395196402.db2.gz WPUQSLQPVZGEES-JQWIXIFHSA-N 1 0 253.317 2.180 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@H](O)c1ccc(F)cc1 ZINC000180839136 395206633 /nfs/dbraw/zinc/20/66/33/395206633.db2.gz BWRYNCRDORBBGX-ZACQAIPSSA-N 1 0 292.398 2.418 10 0 CEAERO COc1ccc(OC)c([C@H](C)N[C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000396567528 395215793 /nfs/dbraw/zinc/21/57/93/395215793.db2.gz MPISNEWIDGJPSQ-YWPYICTPSA-N 1 0 278.396 2.495 10 0 CEAERO O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[N@@H+]1CCC1(O)CCC1 ZINC000396781569 395217381 /nfs/dbraw/zinc/21/73/81/395217381.db2.gz IVVWGPFHAJCGMS-QLFBSQMISA-N 1 0 267.413 2.307 10 0 CEAERO C[C@@H]1C[C@H](C(=O)NCC[N@@H+]2CCCOCC2)CC(C)(C)C1 ZINC000189399512 395326894 /nfs/dbraw/zinc/32/68/94/395326894.db2.gz PFPVLPJCBLMZKP-CABCVRRESA-N 1 0 296.455 2.287 10 0 CEAERO COCC[N@H+](C)CCNC(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000183602054 395259418 /nfs/dbraw/zinc/25/94/18/395259418.db2.gz JVEZMRJUGRRVMG-KBPBESRZSA-N 1 0 284.444 2.143 10 0 CEAERO CC[C@@](C)(O)CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000189041308 395323680 /nfs/dbraw/zinc/32/36/80/395323680.db2.gz CJHOYMLBMOJZDP-OAHLLOKOSA-N 1 0 254.418 2.098 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(C)cn1 ZINC000184253427 395270936 /nfs/dbraw/zinc/27/09/36/395270936.db2.gz MZUFDBGHBQDIOO-UONOGXRCSA-N 1 0 288.395 2.481 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ncc(F)cc1F ZINC000192362286 395381744 /nfs/dbraw/zinc/38/17/44/395381744.db2.gz DAFRCKVKEIYCJR-NWDGAFQWSA-N 1 0 295.333 2.059 10 0 CEAERO CC(C)c1ccc([C@H](C)[NH2+]CC(=O)N2CCNC2=O)cc1 ZINC000192855983 395394078 /nfs/dbraw/zinc/39/40/78/395394078.db2.gz FMMPUNKBDIQCIO-LBPRGKRZSA-N 1 0 289.379 2.012 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)COc2ccc(C)c(C)c2)C1 ZINC000194631500 395444092 /nfs/dbraw/zinc/44/40/92/395444092.db2.gz TTYWOCHMKMCHEB-HNNXBMFYSA-N 1 0 290.407 2.283 10 0 CEAERO [NH3+]C1(Cc2ccccc2Br)CSC1 ZINC000575470325 395664494 /nfs/dbraw/zinc/66/44/94/395664494.db2.gz ZMVDJWYMXHGJHG-UHFFFAOYSA-N 1 0 258.184 2.436 10 0 CEAERO [NH3+]C[C@@H]1CCCN1C(=O)/C=C\c1ccccc1Cl ZINC000493727037 395672469 /nfs/dbraw/zinc/67/24/69/395672469.db2.gz QAANQUNXMBVKLM-KRZKBDHCSA-N 1 0 264.756 2.303 10 0 CEAERO C[C@@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)c1ccc2c(c1)CCCC2 ZINC000647912227 395773298 /nfs/dbraw/zinc/77/32/98/395773298.db2.gz FDGDIFNQLIITER-LYRGGWFBSA-N 1 0 272.392 2.480 10 0 CEAERO O[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)COCc1cccs1 ZINC000646094394 396289891 /nfs/dbraw/zinc/28/98/91/396289891.db2.gz YEMZUNAMZZZNHI-CTHBEMJXSA-N 1 0 281.421 2.404 10 0 CEAERO CC(C)Oc1ccc(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC000647016985 396404167 /nfs/dbraw/zinc/40/41/67/396404167.db2.gz IQRGDAHWNJMICK-SWLSCSKDSA-N 1 0 276.380 2.344 10 0 CEAERO COC1(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)CCCCC1 ZINC000185684740 292098053 /nfs/dbraw/zinc/09/80/53/292098053.db2.gz KGOBHHYGSTXTNF-KGLIPLIRSA-N 1 0 282.428 2.181 10 0 CEAERO CC(C)[C@@H](C)NC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000047684756 400182372 /nfs/dbraw/zinc/18/23/72/400182372.db2.gz BCHIDRZZTVSPPC-GFCCVEGCSA-N 1 0 255.406 2.203 10 0 CEAERO CCN(CC[NH3+])c1ncnc2sc(C)c(C)c21 ZINC000111374726 400271503 /nfs/dbraw/zinc/27/15/03/400271503.db2.gz MSAOTEQVRQXYQY-UHFFFAOYSA-N 1 0 250.371 2.093 10 0 CEAERO CC[C@@H]1CN(c2cncc(Br)c2)CC[C@H]1[NH3+] ZINC000300778212 400329918 /nfs/dbraw/zinc/32/99/18/400329918.db2.gz RHGHDFHRFLNNGA-BXKDBHETSA-N 1 0 284.201 2.408 10 0 CEAERO CC[C@H]1CN(c2cncc(Br)c2)CC[C@@H]1[NH3+] ZINC000300778214 400330584 /nfs/dbraw/zinc/33/05/84/400330584.db2.gz RHGHDFHRFLNNGA-CABZTGNLSA-N 1 0 284.201 2.408 10 0 CEAERO c1ccc2c(c1)ccnc2NC[C@H]1C[NH2+]CCCO1 ZINC000389799566 400538440 /nfs/dbraw/zinc/53/84/40/400538440.db2.gz JWKHAQCAHBLWJF-CYBMUJFWSA-N 1 0 257.337 2.025 10 0 CEAERO C[C@H](COCc1ccccc1)NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000390783404 400540634 /nfs/dbraw/zinc/54/06/34/400540634.db2.gz SVOGWJUUTQHIEM-KBMXLJTQSA-N 1 0 290.407 2.083 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H](C)COCc1ccccc1 ZINC000390189144 400540787 /nfs/dbraw/zinc/54/07/87/400540787.db2.gz MQRCAJKQCPJTMX-ZBFHGGJFSA-N 1 0 292.423 2.329 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1cccn1Cc1ccccc1 ZINC000393641265 400546087 /nfs/dbraw/zinc/54/60/87/400546087.db2.gz IWZVDKAVOCGDAR-CVEARBPZSA-N 1 0 297.402 2.394 10 0 CEAERO CCOCCNC(=O)C[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000175914166 286095171 /nfs/dbraw/zinc/09/51/71/286095171.db2.gz OOPJBGYJWSCQTQ-ZDUSSCGKSA-N 1 0 278.396 2.052 10 0 CEAERO CCO[C@@H]1C[C@H]([N@H+](C)CCCNC(C)=O)C12CCCC2 ZINC000125643685 286332306 /nfs/dbraw/zinc/33/23/06/286332306.db2.gz WPSGVAPQSBCCOQ-LSDHHAIUSA-N 1 0 282.428 2.182 10 0 CEAERO CCO[C@@H]1C[C@H]([N@H+](C)C[C@H](O)CSC)C12CCCC2 ZINC000188069520 286333408 /nfs/dbraw/zinc/33/34/08/286333408.db2.gz LGYDMVMTBDOAPK-MELADBBJSA-N 1 0 287.469 2.380 10 0 CEAERO COc1ccc(N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cn1 ZINC000250446634 286337294 /nfs/dbraw/zinc/33/72/94/286337294.db2.gz PSJJTPFAXFANMJ-MGPQQGTHSA-N 1 0 261.369 2.423 10 0 CEAERO O=C(CCCc1cccs1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195310186 153281581 /nfs/dbraw/zinc/28/15/81/153281581.db2.gz PBJDJUZDCRVTAO-CYBMUJFWSA-N 1 0 278.421 2.377 10 0 CEAERO Cc1csc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)N(C)C)C2)n1 ZINC000195440747 153287779 /nfs/dbraw/zinc/28/77/79/153287779.db2.gz NQHWYGFPRNIING-NWDGAFQWSA-N 1 0 281.425 2.108 10 0 CEAERO O=C(c1cc(-c2ccccc2)no1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195331422 153289432 /nfs/dbraw/zinc/28/94/32/153289432.db2.gz VGOXFYYWVBVSNW-AWEZNQCLSA-N 1 0 297.358 2.262 10 0 CEAERO COCC[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000215519293 153292758 /nfs/dbraw/zinc/29/27/58/153292758.db2.gz NJJGQSOXBAHMBV-UHFFFAOYSA-N 1 0 264.156 2.036 10 0 CEAERO C[C@@H](O)C[C@H](C)[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000228076129 153353098 /nfs/dbraw/zinc/35/30/98/153353098.db2.gz VJBYGDCXNABKJA-QWHCGFSZSA-N 1 0 259.353 2.121 10 0 CEAERO CCCn1ccc(C[NH2+][C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000228965972 153372305 /nfs/dbraw/zinc/37/23/05/153372305.db2.gz XSYNHQVWLJDYLZ-LBPRGKRZSA-N 1 0 265.401 2.291 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1cccc(F)c1 ZINC000246850447 153576560 /nfs/dbraw/zinc/57/65/60/153576560.db2.gz CJGKNNBBFZVABT-CVEARBPZSA-N 1 0 290.382 2.453 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]CCN(C)[C@H](C)CC)C12CCOCC2 ZINC000249031061 286386332 /nfs/dbraw/zinc/38/63/32/286386332.db2.gz SLZBXNYFYQNUDG-OWCLPIDISA-N 1 0 298.471 2.281 10 0 CEAERO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@H]2C[C@H]2C)cc1 ZINC000248483000 153638618 /nfs/dbraw/zinc/63/86/18/153638618.db2.gz CMFSSWNXUDLUCQ-DYEKYZERSA-N 1 0 267.394 2.155 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)Nc1ccccc1Cl ZINC000261551905 153754350 /nfs/dbraw/zinc/75/43/50/153754350.db2.gz MODLKYXKOZPNQY-SCZZXKLOSA-N 1 0 253.733 2.293 10 0 CEAERO CCc1cc(NC(=O)C2([NH3+])CCOCC2)ccc1C ZINC000261566352 153763690 /nfs/dbraw/zinc/76/36/90/153763690.db2.gz GTWZBWKUMLYIEK-UHFFFAOYSA-N 1 0 262.353 2.004 10 0 CEAERO Cc1ccc(CNC(=O)CC[C@H]2CCC[NH2+]2)cc1F ZINC000261572493 153769847 /nfs/dbraw/zinc/76/98/47/153769847.db2.gz AFNNZWSUSZSFCL-CYBMUJFWSA-N 1 0 264.344 2.283 10 0 CEAERO CCc1cc(CC)nc(N2CCC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000261584675 153777747 /nfs/dbraw/zinc/77/77/47/153777747.db2.gz HXPMAUKAOLUJIJ-VXGBXAGGSA-N 1 0 262.401 2.165 10 0 CEAERO CC1(C)CN(C(=O)c2ccc3c(c2)CCC3)CC[C@@H]1[NH3+] ZINC000261639556 153792217 /nfs/dbraw/zinc/79/22/17/153792217.db2.gz CFAKXXFDSQISIL-HNNXBMFYSA-N 1 0 272.392 2.375 10 0 CEAERO C[NH2+][C@@H](C)Cc1noc([C@@H](NC(=O)CC(C)C)C(C)C)n1 ZINC000261733007 153822143 /nfs/dbraw/zinc/82/21/43/153822143.db2.gz KJPMHSQUAWHJPR-FZMZJTMJSA-N 1 0 296.415 2.079 10 0 CEAERO CCC(CC)(C[NH3+])C(=O)N1CCC[C@@H](c2cc(C)n[nH]2)C1 ZINC000262094171 153912177 /nfs/dbraw/zinc/91/21/77/153912177.db2.gz YSNSOCMUVHRHRO-CYBMUJFWSA-N 1 0 292.427 2.189 10 0 CEAERO Clc1ccc(SCCN[C@H]2CC[NH2+]C2)cc1 ZINC000262136879 153918977 /nfs/dbraw/zinc/91/89/77/153918977.db2.gz OIVWIYMAFUXDTI-NSHDSACASA-N 1 0 256.802 2.384 10 0 CEAERO C[C@@H](Oc1ccccc1)C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262156950 153920827 /nfs/dbraw/zinc/92/08/27/153920827.db2.gz XTBBXAAGJUNNMK-TZMCWYRMSA-N 1 0 276.380 2.040 10 0 CEAERO C[C@@H](C(=O)NCC1(c2ccc(F)cc2)CCC1)C1C[NH2+]C1 ZINC000262604006 153965163 /nfs/dbraw/zinc/96/51/63/153965163.db2.gz YAGJPKNMBGMYTM-GFCCVEGCSA-N 1 0 290.382 2.219 10 0 CEAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2ccc(Cl)s2)n1 ZINC000263140688 154023926 /nfs/dbraw/zinc/02/39/26/154023926.db2.gz CHRXVXLRBYELLK-SSDOTTSWSA-N 1 0 284.772 2.028 10 0 CEAERO CN1CC[NH2+]C[C@H]1c1noc(C2CCCCCC2)n1 ZINC000263229786 154038391 /nfs/dbraw/zinc/03/83/91/154038391.db2.gz NFHZMAXULRIOEM-LBPRGKRZSA-N 1 0 264.373 2.084 10 0 CEAERO Cc1ccccc1[C@@H]1C[C@H]1c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263222072 154039424 /nfs/dbraw/zinc/03/94/24/154039424.db2.gz LZTACJUSLGQESE-ZNMIVQPWSA-N 1 0 298.390 2.225 10 0 CEAERO O=C(NCC(c1ccccc1)c1ccccc1)C1C[NH2+]C1 ZINC000263257983 154045074 /nfs/dbraw/zinc/04/50/74/154045074.db2.gz FVHHOCJYWFKVMD-UHFFFAOYSA-N 1 0 280.371 2.154 10 0 CEAERO C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)C1C[NH2+]C1 ZINC000263326373 154059882 /nfs/dbraw/zinc/05/98/82/154059882.db2.gz STZTVRGQOZDQSA-QMMMGPOBSA-N 1 0 287.190 2.260 10 0 CEAERO CC1(C)CC[C@H]([NH2+]C2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)C1 ZINC000263454803 154091362 /nfs/dbraw/zinc/09/13/62/154091362.db2.gz AMWARDWNUFFJTN-NFOMZHRRSA-N 1 0 294.439 2.482 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+][C@H](C)CC2CCCC2)C1 ZINC000263454830 154091746 /nfs/dbraw/zinc/09/17/46/154091746.db2.gz ANSUXKZTRNNJMA-LRVUVFPRSA-N 1 0 282.428 2.482 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC000263522126 154111280 /nfs/dbraw/zinc/11/12/80/154111280.db2.gz RMBXVUASDSIOKT-HSBZDZAISA-N 1 0 282.428 2.482 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1NCc1cncc(Br)c1 ZINC000334832553 154235944 /nfs/dbraw/zinc/23/59/44/154235944.db2.gz DTEZSXAVCLMXIJ-BXKDBHETSA-N 1 0 284.201 2.074 10 0 CEAERO COc1cc(NC(=O)[C@@H](C)C2C[NH2+]C2)c(OC)cc1Cl ZINC000163808855 162335063 /nfs/dbraw/zinc/33/50/63/162335063.db2.gz MVBYKUQFQUUFQM-QMMMGPOBSA-N 1 0 298.770 2.151 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)[C@H](C)C2C[NH2+]C2)cc1F ZINC000164672734 162336521 /nfs/dbraw/zinc/33/65/21/162336521.db2.gz IHVQEEGDSYSLJH-GHMZBOCLSA-N 1 0 264.344 2.167 10 0 CEAERO CO[C@H]1CCN(Cc2cccc(OC(C)C)c2)[C@@H](C[NH3+])C1 ZINC000167163597 162356497 /nfs/dbraw/zinc/35/64/97/162356497.db2.gz RCSWRPAAVQFYDM-CVEARBPZSA-N 1 0 292.423 2.412 10 0 CEAERO CC1(C)CN(C(=O)c2cc(F)ccc2F)CC[C@H]1[NH3+] ZINC000259138520 162538821 /nfs/dbraw/zinc/53/88/21/162538821.db2.gz VIWKTJCSDUFNCY-GFCCVEGCSA-N 1 0 268.307 2.164 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1Nc1nnc(C(F)F)s1 ZINC000261548037 162543530 /nfs/dbraw/zinc/54/35/30/162543530.db2.gz IZTPZOZPINHFLM-BQBZGAKWSA-N 1 0 262.329 2.405 10 0 CEAERO CC1(C)CN(C(=O)CCc2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000262124995 162553128 /nfs/dbraw/zinc/55/31/28/162553128.db2.gz WKGRXDYGGLVISW-AWEZNQCLSA-N 1 0 278.371 2.344 10 0 CEAERO C[C@@](O)(C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1)c1ccccc1 ZINC000170777156 165041116 /nfs/dbraw/zinc/04/11/16/165041116.db2.gz ZEVIRVVIDMNJFE-WMLDXEAASA-N 1 0 285.391 2.497 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)c2sccc2OC(F)F)C1 ZINC000171508598 165047538 /nfs/dbraw/zinc/04/75/38/165047538.db2.gz VOBFEEXVMTYZSA-QMMMGPOBSA-N 1 0 290.335 2.126 10 0 CEAERO CCCCC[C@@H](C)CC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000173521546 165073478 /nfs/dbraw/zinc/07/34/78/165073478.db2.gz GGRKHRICKCQWLV-HUUCEWRRSA-N 1 0 284.444 2.382 10 0 CEAERO CCSCC[C@H](C)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000173623343 165077669 /nfs/dbraw/zinc/07/76/69/165077669.db2.gz ZAXKFKIWQGYSFO-QWHCGFSZSA-N 1 0 285.457 2.008 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC3(CCCC3)C2)C1 ZINC000174235003 165096146 /nfs/dbraw/zinc/09/61/46/165096146.db2.gz XYJDZWGRMVDKGN-CQSZACIVSA-N 1 0 279.428 2.446 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COC1CCCCC1 ZINC000174966873 165121445 /nfs/dbraw/zinc/12/14/45/165121445.db2.gz 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[NH3+]C[C@H](c1cccc(F)c1)S(=O)(=O)c1cccs1 ZINC000008031243 170315099 /nfs/dbraw/zinc/31/50/99/170315099.db2.gz PMILEPIDLOFELN-LLVKDONJSA-N 1 0 285.365 2.361 10 0 CEAERO [NH3+]C[C@@H](c1cccc(F)c1)S(=O)(=O)c1ccccc1 ZINC000008031246 170315382 /nfs/dbraw/zinc/31/53/82/170315382.db2.gz HNXVOAUZTUHCLO-AWEZNQCLSA-N 1 0 279.336 2.299 10 0 CEAERO Cc1cc2ncn(-c3ncccc3C[NH3+])c2cc1C ZINC000019392219 170781720 /nfs/dbraw/zinc/78/17/20/170781720.db2.gz PLEXCPFGLARMMD-UHFFFAOYSA-N 1 0 252.321 2.496 10 0 CEAERO [NH3+]Cc1cccc(C(=O)NCc2ccc(F)cc2)c1 ZINC000019401659 170785205 /nfs/dbraw/zinc/78/52/05/170785205.db2.gz ZIARYCMWLMGACK-UHFFFAOYSA-N 1 0 258.296 2.214 10 0 CEAERO NC(=[NH2+])c1ccc(Oc2ccc3c(c2)CCC(=O)N3)nc1 ZINC000019477695 170808181 /nfs/dbraw/zinc/80/81/81/170808181.db2.gz BMOFUMVTSLOHTR-UHFFFAOYSA-N 1 0 282.303 2.043 10 0 CEAERO COc1ccc(NC(=O)NCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000019488322 170813900 /nfs/dbraw/zinc/81/39/00/170813900.db2.gz GRAYEYVFIJQOQY-LBPRGKRZSA-N 1 0 277.368 2.349 10 0 CEAERO CC(C)(C)c1cccc(OCC[C@@](C)(O)C[NH3+])c1 ZINC000019668257 170834245 /nfs/dbraw/zinc/83/42/45/170834245.db2.gz WSNDVFMEXQDSIU-OAHLLOKOSA-N 1 0 251.370 2.463 10 0 CEAERO COc1cc2c(cc1OC)CN(C[C@@H]([NH3+])C(C)C)CC2 ZINC000019852467 170898329 /nfs/dbraw/zinc/89/83/29/170898329.db2.gz RFTYGYRYIWISPY-CQSZACIVSA-N 1 0 278.396 2.045 10 0 CEAERO CCOc1ccc(NC(=O)CSCCC[NH3+])cc1 ZINC000019953443 170940349 /nfs/dbraw/zinc/94/03/49/170940349.db2.gz XTWMESZOHFVMKH-UHFFFAOYSA-N 1 0 268.382 2.106 10 0 CEAERO [NH3+][C@H](c1ccc2c(c1)CC(=O)N2)c1ccccc1F ZINC000019969646 170952077 /nfs/dbraw/zinc/95/20/77/170952077.db2.gz XLWMJTWQZPBNMO-OAHLLOKOSA-N 1 0 256.280 2.368 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])CN1CCN(c2ccccc2OC)CC1 ZINC000020074081 170983658 /nfs/dbraw/zinc/98/36/58/170983658.db2.gz FYOBKYZZOXRQKY-CABCVRRESA-N 1 0 291.439 2.191 10 0 CEAERO Cc1nn(C)c(C)c1CN[C@@H](C[NH+](C)C)c1ccccc1 ZINC000020129449 171018342 /nfs/dbraw/zinc/01/83/42/171018342.db2.gz QIEDTQRHYYHCCA-KRWDZBQOSA-N 1 0 286.423 2.429 10 0 CEAERO Cc1cc([C@H](C)[NH2+][C@H]2CCS(=O)(=O)C2)c(C)s1 ZINC000020133337 171020906 /nfs/dbraw/zinc/02/09/06/171020906.db2.gz CIHPHQFKMSRJGX-ONGXEEELSA-N 1 0 273.423 2.203 10 0 CEAERO COc1ccccc1C(=O)N(CC[NH3+])C1CCCCC1 ZINC000020183539 171046734 /nfs/dbraw/zinc/04/67/34/171046734.db2.gz GAFMSNAAFSFNAS-UHFFFAOYSA-N 1 0 276.380 2.429 10 0 CEAERO COc1cc(C[NH2+][C@H](C)[C@@H]2CCCO2)ccc1O ZINC000020205287 171070394 /nfs/dbraw/zinc/07/03/94/171070394.db2.gz BRILEKGHWSUNSH-MFKMUULPSA-N 1 0 251.326 2.058 10 0 CEAERO COc1cccc(N(CC[NH3+])C(=O)CC(C)C)c1 ZINC000020235868 171096364 /nfs/dbraw/zinc/09/63/64/171096364.db2.gz WZCONLBYZSKJOD-UHFFFAOYSA-N 1 0 250.342 2.033 10 0 CEAERO CCOc1ccc(N(CC[NH3+])C(=O)C(C)(C)C)cc1 ZINC000020236210 171096609 /nfs/dbraw/zinc/09/66/09/171096609.db2.gz TYAXWZTZWRUGAX-UHFFFAOYSA-N 1 0 264.369 2.423 10 0 CEAERO [NH3+][C@@H](CCN1CCOCC1)c1ccc(Cl)cc1 ZINC000020273995 171130555 /nfs/dbraw/zinc/13/05/55/171130555.db2.gz XFOSGQDFVFKUFM-ZDUSSCGKSA-N 1 0 254.761 2.062 10 0 CEAERO C[C@@H](Oc1ccc([C@H](C)[NH3+])cc1)C(=O)N1CCCCC1 ZINC000020419199 171183566 /nfs/dbraw/zinc/18/35/66/171183566.db2.gz PZXGMRCUOZXACS-QWHCGFSZSA-N 1 0 276.380 2.486 10 0 CEAERO CC(C)[C@H](C)[NH2+][C@H](C)c1cccc(-n2cnnn2)c1 ZINC000020522964 171236004 /nfs/dbraw/zinc/23/60/04/171236004.db2.gz DITPFADFAFEDQH-NWDGAFQWSA-N 1 0 259.357 2.357 10 0 CEAERO CCOC(=O)[C@H](C[NH3+])Cc1ccccc1C(F)(F)F ZINC000020580361 171257202 /nfs/dbraw/zinc/25/72/02/171257202.db2.gz PHHYJBBLAFPGDQ-JTQLQIEISA-N 1 0 275.270 2.386 10 0 CEAERO O=C(C[C@@H]1CCCC[NH2+]1)Nc1c(F)cccc1F ZINC000020597557 171266140 /nfs/dbraw/zinc/26/61/40/171266140.db2.gz BFCNQSMXGKNKFZ-VIFPVBQESA-N 1 0 254.280 2.436 10 0 CEAERO Cc1cc(C)c(C)c(C(=O)CN2CC[NH2+]CC2)c1C ZINC000021951766 171340272 /nfs/dbraw/zinc/34/02/72/171340272.db2.gz AGZMYGWXSBGMRF-UHFFFAOYSA-N 1 0 260.381 2.008 10 0 CEAERO Cc1cc(N)ccc1NC(=O)CC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000022153340 171360007 /nfs/dbraw/zinc/36/00/07/171360007.db2.gz STMSZDBYEHTSAR-CHWSQXEVSA-N 1 0 291.395 2.015 10 0 CEAERO CC1CC[NH+](CCC(=O)Nc2ccc(F)cc2N)CC1 ZINC000022154881 171362014 /nfs/dbraw/zinc/36/20/14/171362014.db2.gz SMAXBBCZTHGMBB-UHFFFAOYSA-N 1 0 279.359 2.468 10 0 CEAERO C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(F)c(N)c2)C1 ZINC000022156560 171363192 /nfs/dbraw/zinc/36/31/92/171363192.db2.gz JLQGJDIAWPPQEO-SNVBAGLBSA-N 1 0 265.332 2.078 10 0 CEAERO C[C@H]1CN([C@@H](C[NH3+])c2ccccc2C(F)(F)F)CCO1 ZINC000022173434 171369335 /nfs/dbraw/zinc/36/93/35/171369335.db2.gz MXXUHXGTUWARBL-GWCFXTLKSA-N 1 0 288.313 2.426 10 0 CEAERO Cc1ccc(F)cc1NS(=O)(=O)c1cccc(C[NH3+])c1 ZINC000022175618 171370489 /nfs/dbraw/zinc/37/04/89/171370489.db2.gz FNRAKYVHTYKAOI-UHFFFAOYSA-N 1 0 294.351 2.394 10 0 CEAERO CC[C@@H](C)NC(=O)COc1ccc([C@H]([NH3+])CC)cc1 ZINC000022175731 171370616 /nfs/dbraw/zinc/37/06/16/171370616.db2.gz RFMMNUBGTPQJGO-BXUZGUMPSA-N 1 0 264.369 2.390 10 0 CEAERO C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc(C[NH3+])c1 ZINC000022219735 171377428 /nfs/dbraw/zinc/37/74/28/171377428.db2.gz MDKFJIDDDJBYJN-FZMZJTMJSA-N 1 0 282.409 2.002 10 0 CEAERO Cc1cccc(O[C@@H]2CC3(CC[C@@H]2[NH3+])OCCO3)c1C ZINC000023068549 171409364 /nfs/dbraw/zinc/40/93/64/171409364.db2.gz SZXPTGCBRCBYQE-DZGCQCFKSA-N 1 0 277.364 2.305 10 0 CEAERO C[C@@H]1C[C@@H]1C(=O)N(CCC[NH3+])c1ccc(F)cc1 ZINC000034959910 171905312 /nfs/dbraw/zinc/90/53/12/171905312.db2.gz HJJLDILQEONAFX-MFKMUULPSA-N 1 0 250.317 2.164 10 0 CEAERO C[C@@]1([NH2+]Cc2ccc(Cl)cc2)CCS(=O)(=O)C1 ZINC000035223094 172067617 /nfs/dbraw/zinc/06/76/17/172067617.db2.gz COVOTMNBTHSOOP-GFCCVEGCSA-N 1 0 273.785 2.007 10 0 CEAERO CCCCNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC)cc1 ZINC000035633205 172316414 /nfs/dbraw/zinc/31/64/14/172316414.db2.gz OLUXBFYGSXLLJK-GFCCVEGCSA-N 1 0 284.425 2.436 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)CC)cc1 ZINC000035633712 172316815 /nfs/dbraw/zinc/31/68/15/172316815.db2.gz WPYLFRXQGLQXNT-LBPRGKRZSA-N 1 0 284.425 2.388 10 0 CEAERO C[NH2+][C@@H](C)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000035633514 172316873 /nfs/dbraw/zinc/31/68/73/172316873.db2.gz UOVLFAKVTQDGAX-LBPRGKRZSA-N 1 0 282.409 2.142 10 0 CEAERO Cc1cc(N(CCC[NH3+])C(C)C)nc(C(C)C)n1 ZINC000035663795 172342464 /nfs/dbraw/zinc/34/24/64/172342464.db2.gz KVVCVVJZRZFRKV-UHFFFAOYSA-N 1 0 250.390 2.472 10 0 CEAERO [NH3+]Cc1ccccc1OCCSc1ncccn1 ZINC000035722192 172377456 /nfs/dbraw/zinc/37/74/56/172377456.db2.gz VWJNUUBDLRTDEC-UHFFFAOYSA-N 1 0 261.350 2.106 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1Sc1nnc2n1CCCCC2 ZINC000035723929 172379347 /nfs/dbraw/zinc/37/93/47/172379347.db2.gz NYDYPEQDSWUOPC-MNOVXSKESA-N 1 0 266.414 2.224 10 0 CEAERO Cc1ccsc1[C@H](C[NH3+])N1C[C@H](C)OC[C@@H]1C ZINC000035783329 172416450 /nfs/dbraw/zinc/41/64/50/172416450.db2.gz URLJFNHIMNJMEL-SRVKXCTJSA-N 1 0 254.399 2.166 10 0 CEAERO CN(C)c1ccc(C(=O)NCc2cccc(C[NH3+])c2)cc1 ZINC000036202151 172515094 /nfs/dbraw/zinc/51/50/94/172515094.db2.gz GWFPEEREBRCOPW-UHFFFAOYSA-N 1 0 283.375 2.141 10 0 CEAERO CC[C@@H]1CO[C@H](c2ccc(OC)cc2OC)C[NH2+]1 ZINC000036672912 172650579 /nfs/dbraw/zinc/65/05/79/172650579.db2.gz CLWBGCRKLBTKHL-YGRLFVJLSA-N 1 0 251.326 2.143 10 0 CEAERO CCOc1cc2c(cc1[C@@H](O)[C@@H]([NH3+])CC)O[C@@H](C)C2 ZINC000036779090 172696494 /nfs/dbraw/zinc/69/64/94/172696494.db2.gz MILSZHYGKLBGSJ-ONENECBXSA-N 1 0 265.353 2.179 10 0 CEAERO C[NH2+]C1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC000036880493 172776156 /nfs/dbraw/zinc/77/61/56/172776156.db2.gz BLUJULOUBBACFV-UHFFFAOYSA-N 1 0 250.342 2.157 10 0 CEAERO O=c1[nH]c(C[NH2+]CC2CC2)nc2cc(Cl)ccc21 ZINC000036964990 172832939 /nfs/dbraw/zinc/83/29/39/172832939.db2.gz RILOXHQECPLXNQ-UHFFFAOYSA-N 1 0 263.728 2.076 10 0 CEAERO CCC[C@@]1([NH2+]C[C@H](O)COCc2ccccc2)CCOC1 ZINC000285585052 196334658 /nfs/dbraw/zinc/33/46/58/196334658.db2.gz OPGTUUZGBMITTC-DLBZAZTESA-N 1 0 293.407 2.113 10 0 CEAERO COc1ccc(CO[C@H](CC[NH3+])C(F)(F)F)cc1 ZINC000037179403 173012989 /nfs/dbraw/zinc/01/29/89/173012989.db2.gz GCANANLIDHRZTM-LLVKDONJSA-N 1 0 263.259 2.492 10 0 CEAERO Cc1ccc([C@H](C[NH3+])N2CCSCC2)cc1C ZINC000037180002 173013202 /nfs/dbraw/zinc/01/32/02/173013202.db2.gz ZMIYKYIQIBMTEQ-AWEZNQCLSA-N 1 0 250.411 2.352 10 0 CEAERO Cc1ncsc1[C@@H](C)[NH2+][C@@H]1CN2CCC1CC2 ZINC000037211766 173033731 /nfs/dbraw/zinc/03/37/31/173033731.db2.gz VNLVQOYPKORQQI-ZYHUDNBSSA-N 1 0 251.399 2.196 10 0 CEAERO Cc1nn(C)c(C)c1N[C@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000037221030 173041159 /nfs/dbraw/zinc/04/11/59/173041159.db2.gz ONCRVHLKRYDYGT-ZWNOBZJWSA-N 1 0 250.390 2.179 10 0 CEAERO COCCOCCC[NH2+][C@@H](C)c1scnc1C ZINC000037237715 173055428 /nfs/dbraw/zinc/05/54/28/173055428.db2.gz HEOYTOKMOVMLFD-JTQLQIEISA-N 1 0 258.387 2.155 10 0 CEAERO CNC(=O)C[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000037254186 173065581 /nfs/dbraw/zinc/06/55/81/173065581.db2.gz XMYWJYZTWJVIEJ-CYBMUJFWSA-N 1 0 252.383 2.315 10 0 CEAERO CC[C@H]([NH2+]CCC(N)=O)c1cccc(Br)c1 ZINC000037262061 173071884 /nfs/dbraw/zinc/07/18/84/173071884.db2.gz ONXKFJJUGGDDMB-NSHDSACASA-N 1 0 285.185 2.365 10 0 CEAERO NC(=O)CC[NH2+]C(c1cccs1)c1cccs1 ZINC000037262078 173071950 /nfs/dbraw/zinc/07/19/50/173071950.db2.gz VGIJFLLFLHXCHH-UHFFFAOYSA-N 1 0 266.391 2.364 10 0 CEAERO CCNC(=O)C[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000037262536 173072669 /nfs/dbraw/zinc/07/26/69/173072669.db2.gz KJSNKEVJNWXTQV-CQSZACIVSA-N 1 0 250.317 2.003 10 0 CEAERO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(C(N)=O)cc1N ZINC000037272628 173084330 /nfs/dbraw/zinc/08/43/30/173084330.db2.gz QDOPCUXYVVEHPV-PHIMTYICSA-N 1 0 261.369 2.131 10 0 CEAERO CCC[N@H+](CC(=O)Nc1ccc(C)cc1N)C1CC1 ZINC000037273333 173085478 /nfs/dbraw/zinc/08/54/78/173085478.db2.gz GHCJBVIISKTQDP-UHFFFAOYSA-N 1 0 261.369 2.390 10 0 CEAERO C[C@@H]([NH2+][C@]1(C)CCS(=O)(=O)C1)C1CCCCC1 ZINC000037276280 173087478 /nfs/dbraw/zinc/08/74/78/173087478.db2.gz XXSBDAQJOUPYST-DGCLKSJQSA-N 1 0 259.415 2.122 10 0 CEAERO CC(C)N(CCC[NH3+])C(=O)CCOc1ccccc1 ZINC000037298963 173103360 /nfs/dbraw/zinc/10/33/60/173103360.db2.gz BELGBXJGKBYTRW-UHFFFAOYSA-N 1 0 264.369 2.041 10 0 CEAERO CNC(=O)[C@@H](CC(C)C)[NH2+][C@H](C)c1scnc1C ZINC000037320861 173121489 /nfs/dbraw/zinc/12/14/89/173121489.db2.gz QJBVOGRJJLRRKO-GHMZBOCLSA-N 1 0 269.414 2.263 10 0 CEAERO CCCn1c2ccccc2nc1[C@@H]1C[C@@H](OC)C[NH2+]1 ZINC000037323594 173124106 /nfs/dbraw/zinc/12/41/06/173124106.db2.gz PNBRCDTVTTVGHH-YPMHNXCESA-N 1 0 259.353 2.496 10 0 CEAERO COCCOc1ccc(C(F)(F)F)cc1C(N)=[NH2+] ZINC000037334712 173135764 /nfs/dbraw/zinc/13/57/64/173135764.db2.gz SDLDIMKIQOPTAC-UHFFFAOYSA-N 1 0 262.231 2.015 10 0 CEAERO O=C(C[NH2+]C1CCCC1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000037386781 173169488 /nfs/dbraw/zinc/16/94/88/173169488.db2.gz AAJXEWZYHLNPSC-UHFFFAOYSA-N 1 0 298.289 2.479 10 0 CEAERO COc1ccc(NC(=O)C[NH2+]C2CCCC2)c(OC)c1 ZINC000037386890 173171162 /nfs/dbraw/zinc/17/11/62/173171162.db2.gz IDPOWBUETJKPMY-UHFFFAOYSA-N 1 0 278.352 2.175 10 0 CEAERO CC(C)[NH2+]CC(=O)N[C@@H](C)c1ccc(F)cc1F ZINC000037389747 173173010 /nfs/dbraw/zinc/17/30/10/173173010.db2.gz CGSXJYIFPZQSGM-VIFPVBQESA-N 1 0 256.296 2.140 10 0 CEAERO CCn1c2cccc(F)c2nc1[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000037442689 173211115 /nfs/dbraw/zinc/21/11/15/173211115.db2.gz IJYQTHOYSPPYHS-MWLCHTKSSA-N 1 0 263.316 2.245 10 0 CEAERO Cn1c2ccc(Br)cc2nc1CCC[NH3+] ZINC000037441361 173211144 /nfs/dbraw/zinc/21/11/44/173211144.db2.gz KJAVQJOQUBDSEQ-UHFFFAOYSA-N 1 0 268.158 2.227 10 0 CEAERO CSCC[C@@H]([NH3+])c1nc2c(cccc2F)n1C ZINC000037442549 173211458 /nfs/dbraw/zinc/21/14/58/173211458.db2.gz SSEIPUZXRYWYEQ-SECBINFHSA-N 1 0 253.346 2.465 10 0 CEAERO COC(=O)c1ccc(C)c(NC2CC[NH+](C)CC2)c1 ZINC000037507941 173242164 /nfs/dbraw/zinc/24/21/64/173242164.db2.gz QESLOJKTCJLFSM-UHFFFAOYSA-N 1 0 262.353 2.288 10 0 CEAERO Cc1ccccc1CC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000037717299 173635476 /nfs/dbraw/zinc/63/54/76/173635476.db2.gz DFXRPHIGZNTRFR-CQSZACIVSA-N 1 0 260.381 2.043 10 0 CEAERO Cc1noc(COc2ccc(Cl)cc2CC[NH3+])n1 ZINC000037720999 173638749 /nfs/dbraw/zinc/63/87/49/173638749.db2.gz HUHXEGBJFVGXLK-UHFFFAOYSA-N 1 0 267.716 2.112 10 0 CEAERO COC(=O)COc1c(Cl)cc(Cl)cc1C[C@H](C)[NH3+] ZINC000037728860 173648799 /nfs/dbraw/zinc/64/87/99/173648799.db2.gz AMGDYQOJHVWBRS-ZETCQYMHSA-N 1 0 292.162 2.435 10 0 CEAERO O=C(C[NH2+]C1CCCC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000037749993 173672315 /nfs/dbraw/zinc/67/23/15/173672315.db2.gz YOFRQFGCEWJPTH-JTQLQIEISA-N 1 0 278.318 2.320 10 0 CEAERO C[C@H](c1ccc(F)cc1)N(C)C(=O)[C@@H]1CCC[NH2+]1 ZINC000037802924 173741206 /nfs/dbraw/zinc/74/12/06/173741206.db2.gz QEFCYEPECVGDAH-MFKMUULPSA-N 1 0 250.317 2.097 10 0 CEAERO C[C@@H](CNc1ccc(Cl)nn1)[NH+]1CCCCC1 ZINC000038029322 174019073 /nfs/dbraw/zinc/01/90/73/174019073.db2.gz PHXVYOMDQBUQRK-JTQLQIEISA-N 1 0 254.765 2.416 10 0 CEAERO CCc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCCOC2)cc1 ZINC000038045415 174053742 /nfs/dbraw/zinc/05/37/42/174053742.db2.gz PMJYZLDCSSYENR-CVEARBPZSA-N 1 0 293.407 2.005 10 0 CEAERO COc1ccc(C)cc1[C@H](O)C[NH2+]C[C@@H]1CCCOC1 ZINC000038045548 174053978 /nfs/dbraw/zinc/05/39/78/174053978.db2.gz BQWWACVILATBMC-DZGCQCFKSA-N 1 0 279.380 2.053 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)c1cccc(Cl)c1 ZINC000038048825 174059866 /nfs/dbraw/zinc/05/98/66/174059866.db2.gz DQHQLPHMFFJOKX-RYUDHWBXSA-N 1 0 252.745 2.340 10 0 CEAERO CCS(=O)(=O)c1ccc(N[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000038050828 174062255 /nfs/dbraw/zinc/06/22/55/174062255.db2.gz MEYOHTYNWQIXBV-ZIAGYGMSSA-N 1 0 282.409 2.162 10 0 CEAERO CC(C)[C@H]([NH2+]C[C@@H]1COCCO1)c1cccs1 ZINC000038060960 174072598 /nfs/dbraw/zinc/07/25/98/174072598.db2.gz MGDQUAYPSNGMES-YPMHNXCESA-N 1 0 255.383 2.450 10 0 CEAERO CC[C@@H](C)[NH2+][C@@]1(C(N)=O)CCCCc2ccccc21 ZINC000038065342 174076398 /nfs/dbraw/zinc/07/63/98/174076398.db2.gz VEASFQJGCJOAAP-WBMJQRKESA-N 1 0 260.381 2.482 10 0 CEAERO C[NH2+]Cc1cc(-c2c(C)nn(C)c2C)ccc1OC ZINC000038073216 174083361 /nfs/dbraw/zinc/08/33/61/174083361.db2.gz OWEFFJJMSYGSPB-UHFFFAOYSA-N 1 0 259.353 2.432 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)CC2CC[NH2+]CC2)o1 ZINC000038075290 174085304 /nfs/dbraw/zinc/08/53/04/174085304.db2.gz FHTNUMAKCHVIHF-NSHDSACASA-N 1 0 250.342 2.155 10 0 CEAERO C[C@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(=O)Nc1cccc(F)c1 ZINC000038076582 174086846 /nfs/dbraw/zinc/08/68/46/174086846.db2.gz ALUKCLRUWQHDOM-KWBADKCTSA-N 1 0 263.316 2.040 10 0 CEAERO COc1ccc([C@H](CO)[NH2+]C(C)C)cc1Br ZINC000038115886 174125945 /nfs/dbraw/zinc/12/59/45/174125945.db2.gz HQSJMXRQKBZDGB-NSHDSACASA-N 1 0 288.185 2.489 10 0 CEAERO CCc1c[nH]c(=O)c2cccc(NC3CC[NH2+]CC3)c12 ZINC000038921426 174159487 /nfs/dbraw/zinc/15/94/87/174159487.db2.gz IOLWXZRHPGRPDM-UHFFFAOYSA-N 1 0 271.364 2.254 10 0 CEAERO COc1ccc([C@H](C)NC(=O)[C@@H]([NH3+])CC(C)C)cc1OC ZINC000040491243 174292176 /nfs/dbraw/zinc/29/21/76/174292176.db2.gz DWENHOSOFFVQCX-AAEUAGOBSA-N 1 0 294.395 2.254 10 0 CEAERO COc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@@H]2O)cc1OC ZINC000040491114 174292350 /nfs/dbraw/zinc/29/23/50/174292350.db2.gz XOKOOYHBCOYVSW-RTXFEEFZSA-N 1 0 265.353 2.268 10 0 CEAERO Cc1nc(C)c([C@H](C)NC(=O)CC[NH2+]C(C)C)s1 ZINC000040519129 174308657 /nfs/dbraw/zinc/30/86/57/174308657.db2.gz SLCJZHSFJUOBLB-JTQLQIEISA-N 1 0 269.414 2.325 10 0 CEAERO C[NH2+]C[C@@H]1CCCN(Cc2ccc3c(c2)OCCCO3)C1 ZINC000040593425 174347495 /nfs/dbraw/zinc/34/74/95/174347495.db2.gz JIGIEJYFNAUOBE-HNNXBMFYSA-N 1 0 290.407 2.279 10 0 CEAERO C[NH2+]C1CCC(N2C(=O)C[C@H](c3ccccc3)C2=O)CC1 ZINC000040605860 174353229 /nfs/dbraw/zinc/35/32/29/174353229.db2.gz OOFZWADEPHBWPT-YMAMQOFZSA-N 1 0 286.375 2.060 10 0 CEAERO Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c1N ZINC000040620426 174354791 /nfs/dbraw/zinc/35/47/91/174354791.db2.gz AXYQXSJHHZQQAO-ZDUSSCGKSA-N 1 0 275.396 2.037 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000040629956 174357785 /nfs/dbraw/zinc/35/77/85/174357785.db2.gz XOXGFEPYCKFRGK-LDYMZIIASA-N 1 0 289.162 2.309 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000040629682 174357823 /nfs/dbraw/zinc/35/78/23/174357823.db2.gz YUBZJBFXUONOPF-LDYMZIIASA-N 1 0 289.162 2.309 10 0 CEAERO CO[C@H]1C[NH2+][C@H](c2nc(-c3ccc(F)cc3F)c[nH]2)C1 ZINC000040637853 174362049 /nfs/dbraw/zinc/36/20/49/174362049.db2.gz SAEMIBPLOBOQGZ-SKDRFNHKSA-N 1 0 279.290 2.404 10 0 CEAERO COc1cccc(-c2c[nH]c([C@H]3C[C@H](OC)C[NH2+]3)n2)c1 ZINC000040637712 174362055 /nfs/dbraw/zinc/36/20/55/174362055.db2.gz DMPBFGJMDFNECS-QWHCGFSZSA-N 1 0 273.336 2.135 10 0 CEAERO C[C@H]1CCC[C@](CNc2ncnc3nc[nH]c32)([NH+](C)C)C1 ZINC000040670090 174368516 /nfs/dbraw/zinc/36/85/16/174368516.db2.gz UWRCHWZQBAKKEC-NHYWBVRUSA-N 1 0 288.399 2.275 10 0 CEAERO Cn1cc(N[C@@H]2CC[N@H+](CCc3ccccc3)C2)cn1 ZINC000040671414 174369799 /nfs/dbraw/zinc/36/97/99/174369799.db2.gz PSTYMKHDGCNXRL-OAHLLOKOSA-N 1 0 270.380 2.149 10 0 CEAERO CCOc1cccc(C[NH2+][C@@H]2CCCN(C)C2)c1OC ZINC000040672929 174371091 /nfs/dbraw/zinc/37/10/91/174371091.db2.gz ISNBXWKJSHHEEG-CQSZACIVSA-N 1 0 278.396 2.278 10 0 CEAERO [NH3+][C@H](C(=O)N1CCOc2ccccc2C1)c1ccccc1 ZINC000040677809 174374312 /nfs/dbraw/zinc/37/43/12/174374312.db2.gz DNSAPJOYAQRHKJ-INIZCTEOSA-N 1 0 282.343 2.108 10 0 CEAERO CCCCNc1ncnc(Nc2cc[nH+]cc2)c1N ZINC000040687503 174376048 /nfs/dbraw/zinc/37/60/48/174376048.db2.gz JUPIXXDQRFMDET-UHFFFAOYSA-N 1 0 258.329 2.409 10 0 CEAERO CCn1c2c(cccc2Cl)nc1[C@H]([NH3+])CCO ZINC000040710378 174380655 /nfs/dbraw/zinc/38/06/55/174380655.db2.gz XXXMFFILYOPMTK-SECBINFHSA-N 1 0 253.733 2.092 10 0 CEAERO C[N@@H+]1CCC[C@H](Nc2ccc(N)c3cnccc23)C1 ZINC000040715774 174382636 /nfs/dbraw/zinc/38/26/36/174382636.db2.gz DEGPAPMAOCBLBA-NSHDSACASA-N 1 0 256.353 2.323 10 0 CEAERO C[C@@H]1CCN([C@@H](C[NH3+])c2cc3c(c(Cl)c2)OCO3)C1 ZINC000040717373 174384898 /nfs/dbraw/zinc/38/48/98/174384898.db2.gz AKWVKKIQOAVUEG-SKDRFNHKSA-N 1 0 282.771 2.410 10 0 CEAERO Cc1cc(C)c([C@H]([NH3+])Cn2cnc(C)cc2=O)c(C)c1 ZINC000040728187 174387727 /nfs/dbraw/zinc/38/77/27/174387727.db2.gz FKVVMPYTTPOJHE-CQSZACIVSA-N 1 0 271.364 2.177 10 0 CEAERO CCCN(C(=O)NC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747973 174393065 /nfs/dbraw/zinc/39/30/65/174393065.db2.gz WGUYRGGQDDCFLH-FUNVUKJBSA-N 1 0 267.417 2.490 10 0 CEAERO Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1C ZINC000040749767 174394305 /nfs/dbraw/zinc/39/43/05/174394305.db2.gz JRCNCRKGOCTVIS-GOOCMWNKSA-N 1 0 258.365 2.398 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)CCCc1ccccc1 ZINC000040749521 174394438 /nfs/dbraw/zinc/39/44/38/174394438.db2.gz XLJAEYZUJSNCRW-MQVJKMGUSA-N 1 0 272.392 2.490 10 0 CEAERO CCn1cc(Cl)cc1C(=O)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749462 174394491 /nfs/dbraw/zinc/39/44/91/174394491.db2.gz MBWDDOZEFNNTSC-YOGCLGLASA-N 1 0 281.787 2.256 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccccc1Cl ZINC000040749958 174395155 /nfs/dbraw/zinc/39/51/55/174395155.db2.gz OYHVKTBTAJDGMH-YOGCLGLASA-N 1 0 293.798 2.233 10 0 CEAERO Cc1cccnc1Nc1nc[nH+]c(NNC(C)(C)C)c1N ZINC000040758136 174396969 /nfs/dbraw/zinc/39/69/69/174396969.db2.gz LFFOFAFUIRAFNT-UHFFFAOYSA-N 1 0 287.371 2.221 10 0 CEAERO CC(C)N1C[C@H]2CCC[C@@H](C1)C2[NH2+]CCc1nccn1C ZINC000040769341 174399338 /nfs/dbraw/zinc/39/93/38/174399338.db2.gz JURFRIGGNOCUNC-FKEKPDDDSA-N 1 0 290.455 2.061 10 0 CEAERO CN(Cc1ccsc1)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000070574246 414771342 /nfs/dbraw/zinc/77/13/42/414771342.db2.gz KDFKPQPPTATQFU-RYUDHWBXSA-N 1 0 252.383 2.224 10 0 CEAERO O=C1CC2(CCCCC2)CC(=O)N1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000041158272 174501273 /nfs/dbraw/zinc/50/12/73/174501273.db2.gz IIJMLBMGAMCNTK-PBWFPOADSA-N 1 0 290.407 2.369 10 0 CEAERO COc1cc(OC)c([C@H](C[NH3+])C2CC2)cc1OC ZINC000041321159 174517783 /nfs/dbraw/zinc/51/77/83/174517783.db2.gz FMVBXFPPQBZZFY-LLVKDONJSA-N 1 0 251.326 2.165 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)N1CCc2ccccc2[C@H](C)C1 ZINC000404884578 414791284 /nfs/dbraw/zinc/79/12/84/414791284.db2.gz DJMXVZSMUWGOSV-IUODEOHRSA-N 1 0 260.381 2.302 10 0 CEAERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ncccn1 ZINC000126433484 414800475 /nfs/dbraw/zinc/80/04/75/414800475.db2.gz SZAQFTHVWAMDDQ-STQMWFEESA-N 1 0 284.363 2.463 10 0 CEAERO C[NH+](C)CCC(=O)NCC(C)(C)c1ccccc1F ZINC000041536514 174566475 /nfs/dbraw/zinc/56/64/75/174566475.db2.gz DATJJHLGLVKXIG-UHFFFAOYSA-N 1 0 266.360 2.171 10 0 CEAERO CN(C(=O)c1ccc(Cl)s1)[C@@H](C[NH3+])C(F)(F)F ZINC000662976757 414816757 /nfs/dbraw/zinc/81/67/57/414816757.db2.gz QFICERZBMJJYGS-LURJTMIESA-N 1 0 286.706 2.363 10 0 CEAERO Cc1cc(C(=O)N(C)[C@H](C[NH3+])C(F)(F)F)ccc1F ZINC000662979265 414817127 /nfs/dbraw/zinc/81/71/27/414817127.db2.gz KGAKINCNHAOXFA-SNVBAGLBSA-N 1 0 278.249 2.096 10 0 CEAERO CN(C(=O)CCc1ccc(F)cc1)[C@@H](C[NH3+])C(F)(F)F ZINC000662976625 414817479 /nfs/dbraw/zinc/81/74/79/414817479.db2.gz GZJVXVVISOCPAW-NSHDSACASA-N 1 0 292.276 2.106 10 0 CEAERO C[C@@H]([NH3+])[C@H](C)C(=O)N[C@@H](C)c1cc(F)ccc1F ZINC000133856520 414830664 /nfs/dbraw/zinc/83/06/64/414830664.db2.gz FNMMJDSMMCHNTC-YIZRAAEISA-N 1 0 256.296 2.125 10 0 CEAERO C[C@H](O)c1cccc(NC(=O)N(C)C2CC[NH+](C)CC2)c1 ZINC000041703872 174609235 /nfs/dbraw/zinc/60/92/35/174609235.db2.gz NUQCXMNWXKGOSV-LBPRGKRZSA-N 1 0 291.395 2.298 10 0 CEAERO C[C@H]([NH3+])c1ccc(NC(=O)N2CCCC[C@H]2CCO)cc1 ZINC000041711688 174613435 /nfs/dbraw/zinc/61/34/35/174613435.db2.gz OYXPTJOEYGLOHW-WFASDCNBSA-N 1 0 291.395 2.475 10 0 CEAERO CC[C@H](C)NC(=O)CCn1c(C)cc2c1CCC[C@H]2[NH3+] ZINC000041722715 174618686 /nfs/dbraw/zinc/61/86/86/174618686.db2.gz CKNQNUKXUJJQSP-SMDDNHRTSA-N 1 0 277.412 2.437 10 0 CEAERO C[C@@H](NC(=O)C[C@H]1CCC[NH2+]1)c1ccccc1F ZINC000042168187 174649728 /nfs/dbraw/zinc/64/97/28/174649728.db2.gz BHXGLSNYTQATSU-GHMZBOCLSA-N 1 0 250.317 2.145 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cn(C)c2ccccc12 ZINC000653136019 414919018 /nfs/dbraw/zinc/91/90/18/414919018.db2.gz XWTWZMKDSJABSB-SMDDNHRTSA-N 1 0 271.364 2.049 10 0 CEAERO CCCc1nccnc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000663396497 414940911 /nfs/dbraw/zinc/94/09/11/414940911.db2.gz CGJQPHXRFUCLOM-STQMWFEESA-N 1 0 260.385 2.468 10 0 CEAERO C[C@]1([NH2+][C@H](c2cccs2)C2CC2)CCS(=O)(=O)C1 ZINC000042329765 174686821 /nfs/dbraw/zinc/68/68/21/174686821.db2.gz IMLWEGSWZJNMBZ-STQMWFEESA-N 1 0 285.434 2.366 10 0 CEAERO C[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)[C@H]1C ZINC000653057809 414891284 /nfs/dbraw/zinc/89/12/84/414891284.db2.gz QYYYSXBPAQGRBG-ROHXPCBUSA-N 1 0 292.345 2.325 10 0 CEAERO C[C@@H]1CCC[C@@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)[C@H]1C ZINC000653057806 414891676 /nfs/dbraw/zinc/89/16/76/414891676.db2.gz QYYYSXBPAQGRBG-IYKVGLELSA-N 1 0 292.345 2.325 10 0 CEAERO Cc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)c(F)c1 ZINC000653057285 414892484 /nfs/dbraw/zinc/89/24/84/414892484.db2.gz XONGBHOUYVBMEB-RKDXNWHRSA-N 1 0 290.260 2.471 10 0 CEAERO CO[C@@H](C)c1nsc(NCC[C@@H]([NH3+])C(C)C)n1 ZINC000663275332 414901737 /nfs/dbraw/zinc/90/17/37/414901737.db2.gz FBGYKSOIZSQRKB-DTWKUNHWSA-N 1 0 258.391 2.031 10 0 CEAERO O=C(Nc1ccsc1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653090854 414903183 /nfs/dbraw/zinc/90/31/83/414903183.db2.gz AICHPSUBCXHTAH-HTQZYQBOSA-N 1 0 264.272 2.085 10 0 CEAERO CC(C)N(CC(F)(F)F)[C@H](C[NH3+])C(F)(F)F ZINC000042739273 174861475 /nfs/dbraw/zinc/86/14/75/174861475.db2.gz KGLXXDZWCIUVIK-ZCFIWIBFSA-N 1 0 252.202 2.149 10 0 CEAERO CC(C)CN(CC[NH+](C)C)C(=O)c1ccc(O)cc1 ZINC000042781410 174876978 /nfs/dbraw/zinc/87/69/78/174876978.db2.gz UMOCABRBEBPXLG-UHFFFAOYSA-N 1 0 264.369 2.052 10 0 CEAERO CC(C)(C)c1nc(C[NH2+]C2CC(CO)C2)cs1 ZINC000657812081 415090840 /nfs/dbraw/zinc/09/08/40/415090840.db2.gz FUFLEMMLYNYARF-UHFFFAOYSA-N 1 0 254.399 2.301 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccc(C)cc1)N1CCOC[C@@H]1C ZINC000042914056 174913225 /nfs/dbraw/zinc/91/32/25/174913225.db2.gz FHTCWHVAPFZWFK-IMJJTQAJSA-N 1 0 262.397 2.494 10 0 CEAERO COc1c(C[NH2+]CCCC2CCC2)c(C)nn1C ZINC000657667420 415043368 /nfs/dbraw/zinc/04/33/68/415043368.db2.gz QOGQYACLLPFAHE-UHFFFAOYSA-N 1 0 251.374 2.407 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N1CCC(CO)CC1 ZINC000042944737 174920158 /nfs/dbraw/zinc/92/01/58/174920158.db2.gz CTTWGUJYHFKUGH-ABAIWWIYSA-N 1 0 282.815 2.433 10 0 CEAERO Cc1nc(C)n([C@@H](c2ccc(Cl)cc2)[C@@H](C)[NH3+])n1 ZINC000042947662 174922452 /nfs/dbraw/zinc/92/24/52/174922452.db2.gz NXNNYNSTPWFFNT-AMIZOPFISA-N 1 0 264.760 2.485 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1cccc(F)c1)N1CCSCC1 ZINC000042971134 174934434 /nfs/dbraw/zinc/93/44/34/174934434.db2.gz SRXOJTFRFXCRDH-MFKMUULPSA-N 1 0 254.374 2.263 10 0 CEAERO COc1cccc([C@H](OC2CCOCC2)[C@H](C)[NH3+])c1 ZINC000043031364 174948802 /nfs/dbraw/zinc/94/88/02/174948802.db2.gz KYMREEPFFLBLNS-XHDPSFHLSA-N 1 0 265.353 2.279 10 0 CEAERO COc1cccc([C@H](C[NH3+])Sc2ncccn2)c1 ZINC000043032165 174949196 /nfs/dbraw/zinc/94/91/96/174949196.db2.gz NCGLORDBRBXTTA-LBPRGKRZSA-N 1 0 261.350 2.277 10 0 CEAERO [NH3+]C[C@H](c1ccccc1Cl)N1CCCC[C@@H]1CO ZINC000043051825 174960494 /nfs/dbraw/zinc/96/04/94/174960494.db2.gz JFNYDTGAHVFESC-BXUZGUMPSA-N 1 0 268.788 2.187 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1nc[nH]n1)c1ccccc1OC ZINC000043100789 174967506 /nfs/dbraw/zinc/96/75/06/174967506.db2.gz LNRKDOOLDBIOCK-PWSUYJOCSA-N 1 0 278.381 2.384 10 0 CEAERO Cc1ccc([C@H](Sc2nncn2C)[C@@H](C)[NH3+])s1 ZINC000043246406 174990657 /nfs/dbraw/zinc/99/06/57/174990657.db2.gz MVIMFGOPVZDKOK-PSASIEDQSA-N 1 0 268.411 2.366 10 0 CEAERO Cc1ccsc1[C@@H](Sc1nc(N)cc(N)n1)[C@H](C)[NH3+] ZINC000043251595 174993794 /nfs/dbraw/zinc/99/37/94/174993794.db2.gz ZBPLSRITFBWJEV-CPCISQLKSA-N 1 0 295.437 2.192 10 0 CEAERO C[C@@H]([NH3+])[C@@H](Sc1nnnn1C)c1ccc(Cl)s1 ZINC000043256874 174994847 /nfs/dbraw/zinc/99/48/47/174994847.db2.gz KMHYHWOLWUQQDL-SVGQVSJJSA-N 1 0 289.817 2.106 10 0 CEAERO C[C@@H]([NH3+])[C@H](n1nnc(-c2ccccc2)n1)C(C)(C)C ZINC000043294919 174999018 /nfs/dbraw/zinc/99/90/18/174999018.db2.gz BCGXYQAQLDMPDA-PWSUYJOCSA-N 1 0 259.357 2.275 10 0 CEAERO C[NH2+][C@@H](c1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000043300277 175000960 /nfs/dbraw/zinc/00/09/60/175000960.db2.gz GAQDRQQRNMIFGH-QPUJVOFHSA-N 1 0 291.775 2.174 10 0 CEAERO Cc1cccc([C@@H](C[NH3+])N(C)Cc2cnn(C)c2)c1C ZINC000043314871 175004716 /nfs/dbraw/zinc/00/47/16/175004716.db2.gz DWSAHEOQKFEDEF-MRXNPFEDSA-N 1 0 272.396 2.169 10 0 CEAERO Cc1cccc([C@@H](C[NH3+])N2CCSCC2)c1C ZINC000043314524 175004910 /nfs/dbraw/zinc/00/49/10/175004910.db2.gz SHICITKVGAIBJQ-CQSZACIVSA-N 1 0 250.411 2.352 10 0 CEAERO COc1ccc(Cl)c(NC[C@H](O)C[NH+]2CCCC2)c1 ZINC000043317468 175005083 /nfs/dbraw/zinc/00/50/83/175005083.db2.gz JMQPACZHDNSHSX-NSHDSACASA-N 1 0 284.787 2.217 10 0 CEAERO c1cn(CCC[NH2+][C@H]2CCCNC2)c2ccccc12 ZINC000043325029 175007246 /nfs/dbraw/zinc/00/72/46/175007246.db2.gz NBWHECLTWIOJPT-HNNXBMFYSA-N 1 0 257.381 2.373 10 0 CEAERO COc1ccc(N[C@H]2CCC[NH2+]C2)cc1OC(F)F ZINC000043326680 175007997 /nfs/dbraw/zinc/00/79/97/175007997.db2.gz SUHWLECERLWPND-JTQLQIEISA-N 1 0 272.295 2.461 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccco1)n1nnc(-c2ccccc2)n1 ZINC000043336429 175012456 /nfs/dbraw/zinc/01/24/56/175012456.db2.gz USCCUELLZFMUPM-GXTWGEPZSA-N 1 0 283.335 2.260 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Oc1ccccc1C(N)=O)c1ccco1 ZINC000043337309 175012461 /nfs/dbraw/zinc/01/24/61/175012461.db2.gz GYBDHZBENRBISW-SMDDNHRTSA-N 1 0 274.320 2.236 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccco1)n1cc(Br)cn1 ZINC000043336466 175012563 /nfs/dbraw/zinc/01/25/63/175012563.db2.gz VLIYRCUKBKOVJJ-GMSGAONNSA-N 1 0 270.130 2.175 10 0 CEAERO C[C@@H]([NH3+])[C@H](Oc1cccc(S(C)(=O)=O)c1)c1ccco1 ZINC000043337850 175012568 /nfs/dbraw/zinc/01/25/68/175012568.db2.gz LARCWPACZXGZNY-YGRLFVJLSA-N 1 0 295.360 2.150 10 0 CEAERO C[C@H]([NH3+])[C@H](c1ccco1)N(C)Cc1cscn1 ZINC000043336327 175012644 /nfs/dbraw/zinc/01/26/44/175012644.db2.gz DMJRLPVFSJACRK-JOYOIKCWSA-N 1 0 251.355 2.256 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccccn1)N(C)CCc1ccccn1 ZINC000043338984 175013127 /nfs/dbraw/zinc/01/31/27/175013127.db2.gz NMCODEWHHACRLT-CZUORRHYSA-N 1 0 270.380 2.039 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccccn1)N(C)CC(F)(F)F ZINC000043339591 175013855 /nfs/dbraw/zinc/01/38/55/175013855.db2.gz DQGFIPDKDVSJEP-GXSJLCMTSA-N 1 0 261.291 2.354 10 0 CEAERO C[C@H]([NH3+])[C@H](c1ccccn1)N(C)CCc1ccncc1 ZINC000043339599 175013973 /nfs/dbraw/zinc/01/39/73/175013973.db2.gz OCOGPYCCSCFSEF-XJKSGUPXSA-N 1 0 270.380 2.039 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](OC[C@@H]1CCCO1)c1ccccn1 ZINC000043342724 175015988 /nfs/dbraw/zinc/01/59/88/175015988.db2.gz GIHFYBWOXTUKGY-OUCADQQQSA-N 1 0 250.342 2.056 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1cccnc1)N1CCCC[C@@H]1CCO ZINC000043345773 175017027 /nfs/dbraw/zinc/01/70/27/175017027.db2.gz GXKDWSCGFBHDDM-BZUAXINKSA-N 1 0 277.412 2.097 10 0 CEAERO Cc1nnc(S[C@@H](C[NH3+])c2ccccn2)s1 ZINC000043345122 175017043 /nfs/dbraw/zinc/01/70/43/175017043.db2.gz OCTVZNJJNPNREK-VIFPVBQESA-N 1 0 252.368 2.034 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cccnc1)N(C)[C@@H]1CCSC1 ZINC000043346280 175017370 /nfs/dbraw/zinc/01/73/70/175017370.db2.gz MNAQZUJGKLHILI-MCIONIFRSA-N 1 0 265.426 2.297 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cccnc1)N(C)C[C@@H]1CCCCO1 ZINC000043347547 175017788 /nfs/dbraw/zinc/01/77/88/175017788.db2.gz NOWNOIRJQDPEPP-XHSDSOJGSA-N 1 0 277.412 2.361 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1cccnc1)N(CCO)C1CCCC1 ZINC000043348334 175018914 /nfs/dbraw/zinc/01/89/14/175018914.db2.gz HKKKPXUWANWDFT-JKSUJKDBSA-N 1 0 277.412 2.097 10 0 CEAERO Cc1ncsc1CCO[C@@H](C[NH3+])c1cccnc1 ZINC000043350368 175019148 /nfs/dbraw/zinc/01/91/48/175019148.db2.gz PNUQIFDHPOISSM-LBPRGKRZSA-N 1 0 263.366 2.106 10 0 CEAERO CC[C@H]([NH3+])[C@@H](OCCOC(C)C)c1cccnc1 ZINC000043350287 175019188 /nfs/dbraw/zinc/01/91/88/175019188.db2.gz GTIUEKCYHDSKPX-KBPBESRZSA-N 1 0 252.358 2.302 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1cccnc1)n1cc(Cl)cn1 ZINC000043348908 175019334 /nfs/dbraw/zinc/01/93/34/175019334.db2.gz IAYPSJSMSKJBDN-RYUDHWBXSA-N 1 0 250.733 2.258 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](OC[C@@H]1CCCCO1)c1cccnc1 ZINC000043350310 175019387 /nfs/dbraw/zinc/01/93/87/175019387.db2.gz DNQPJQMYAANZRQ-ZNMIVQPWSA-N 1 0 264.369 2.446 10 0 CEAERO C[C@H]([NH3+])[C@H](OCCc1ccccn1)c1cccnc1 ZINC000043350950 175019611 /nfs/dbraw/zinc/01/96/11/175019611.db2.gz CWMOLMFLSQOROX-WFASDCNBSA-N 1 0 257.337 2.124 10 0 CEAERO COCCN(CC(C)C)[C@@H](c1ccncc1)[C@@H](C)[NH3+] ZINC000043354385 175021810 /nfs/dbraw/zinc/02/18/10/175021810.db2.gz LBPQKPWKEWNRSJ-UKRRQHHQSA-N 1 0 265.401 2.074 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccncc1)N(CC)[C@@H](C)COC ZINC000043354806 175022204 /nfs/dbraw/zinc/02/22/04/175022204.db2.gz XJNBPESUQILRFF-CFVMTHIKSA-N 1 0 265.401 2.217 10 0 CEAERO CC(=O)Nc1ccccc1O[C@H](C[NH3+])c1ccncc1 ZINC000043355506 175023210 /nfs/dbraw/zinc/02/32/10/175023210.db2.gz VJTCAHLIIFWZLJ-OAHLLOKOSA-N 1 0 271.320 2.119 10 0 CEAERO CCN([C@H](C)COC)[C@@H](c1ccc(C)o1)[C@@H](C)[NH3+] ZINC000043365365 175026391 /nfs/dbraw/zinc/02/63/91/175026391.db2.gz CDCPMPPLAXRDGE-MPKXVKKWSA-N 1 0 254.374 2.333 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)N(CCCO)C(C)C ZINC000043365168 175026871 /nfs/dbraw/zinc/02/68/71/175026871.db2.gz XDYCRFPROJNTQA-ZFWWWQNUSA-N 1 0 268.401 2.459 10 0 CEAERO Cc1ccc([C@H](C[NH3+])n2cc(Br)cn2)o1 ZINC000043365537 175027100 /nfs/dbraw/zinc/02/71/00/175027100.db2.gz ZIRLFKZQTYYQJG-VIFPVBQESA-N 1 0 270.130 2.095 10 0 CEAERO Cc1ccc([C@@H](Oc2ccccc2C(N)=O)[C@@H](C)[NH3+])o1 ZINC000043366513 175027249 /nfs/dbraw/zinc/02/72/49/175027249.db2.gz JBVUTUGQYBTYIW-YGRLFVJLSA-N 1 0 274.320 2.154 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1nc(N)cc(N)n1)c1ccc(C)o1 ZINC000043367711 175027857 /nfs/dbraw/zinc/02/78/57/175027857.db2.gz XBLYVUHWSKDMJQ-UFBFGSQYSA-N 1 0 293.396 2.113 10 0 CEAERO C[C@@H]([NH3+])[C@H](Oc1ccc2c(c1)CCC(=O)N2)C(F)(F)F ZINC000043383326 175031205 /nfs/dbraw/zinc/03/12/05/175031205.db2.gz QPYKRTBKKVUXDA-KRTXAFLBSA-N 1 0 288.269 2.228 10 0 CEAERO CC[C@H]([NH3+])[C@H](OC[C@@H]1CCCCO1)C(F)(F)F ZINC000043384313 175031626 /nfs/dbraw/zinc/03/16/26/175031626.db2.gz CIKXFDDMUSPYDR-GUBZILKMSA-N 1 0 255.280 2.240 10 0 CEAERO Cc1nnc(S[C@@H]([C@H](C)[NH3+])C(F)(F)F)s1 ZINC000043386308 175032113 /nfs/dbraw/zinc/03/21/13/175032113.db2.gz IOEIEAYRAJWUTK-UCORVYFPSA-N 1 0 257.306 2.217 10 0 CEAERO Cc1cc(C)cc([C@H](C[NH3+])N2CCOCC2(C)C)c1 ZINC000043394356 175034713 /nfs/dbraw/zinc/03/47/13/175034713.db2.gz SEZROVDCYBZZDS-HNNXBMFYSA-N 1 0 262.397 2.414 10 0 CEAERO CC[C@H]1CCCN1c1nc2c(cc1C(N)=[NH2+])CCC2 ZINC000043406643 175037153 /nfs/dbraw/zinc/03/71/53/175037153.db2.gz GDVRNSNNAPNHJL-NSHDSACASA-N 1 0 258.369 2.233 10 0 CEAERO COc1cc(C(N)=[NH2+])ccc1OCCOc1ccccc1 ZINC000043458224 175050358 /nfs/dbraw/zinc/05/03/58/175050358.db2.gz QHWOEKXREWUBJE-UHFFFAOYSA-N 1 0 286.331 2.437 10 0 CEAERO CCOc1ccc([C@@H](CN2C[C@@H](C)O[C@@H](C)C2)[NH2+]C)cc1 ZINC000043811358 175110165 /nfs/dbraw/zinc/11/01/65/175110165.db2.gz BBZKRSYCGOTOLK-JKIFEVAISA-N 1 0 292.423 2.455 10 0 CEAERO CC[NH2+][C@H](CN(C)CC)c1ccc2c(c1)OCCCO2 ZINC000043820556 175113765 /nfs/dbraw/zinc/11/37/65/175113765.db2.gz OIIAWBOINJAQSX-CQSZACIVSA-N 1 0 278.396 2.450 10 0 CEAERO CC[NH2+][C@H](CN(C)C1CC1)c1ccc2c(c1)OCCO2 ZINC000043823175 175114460 /nfs/dbraw/zinc/11/44/60/175114460.db2.gz GQFYCPWRNWJODX-CQSZACIVSA-N 1 0 276.380 2.203 10 0 CEAERO CC[C@H]1CCCCN1[C@@H]1CC2(CC[C@@H]1[NH2+]C)OCCO2 ZINC000043883325 175115948 /nfs/dbraw/zinc/11/59/48/175115948.db2.gz ZJOSMVZVFHUZOH-SOUVJXGZSA-N 1 0 282.428 2.135 10 0 CEAERO CCC[NH2+][C@@H]1CCOC[C@H]1N1CCCC[C@@H]1CC ZINC000043883515 175116137 /nfs/dbraw/zinc/11/61/37/175116137.db2.gz DNFNFMKZNLLRMN-RRFJBIMHSA-N 1 0 254.418 2.408 10 0 CEAERO C[NH2+][C@@H](CN1CCC(OC)CC1)c1ccc(C)cc1 ZINC000043889885 175117473 /nfs/dbraw/zinc/11/74/73/175117473.db2.gz HZXQDEDWUBPNRX-INIZCTEOSA-N 1 0 262.397 2.366 10 0 CEAERO CCCCCN(C)[C@@H]1CC2(CC[C@@H]1[NH2+]CC)OCCO2 ZINC000043889332 175117835 /nfs/dbraw/zinc/11/78/35/175117835.db2.gz JOGLNMORHFMIBT-LSDHHAIUSA-N 1 0 284.444 2.382 10 0 CEAERO C[NH2+][C@H](CN1CCOC[C@@H]1C)c1ccc(C)c(C)c1 ZINC000043891213 175118187 /nfs/dbraw/zinc/11/81/87/175118187.db2.gz CPWHILPLWBMIEW-GOEBONIOSA-N 1 0 262.397 2.285 10 0 CEAERO CC[NH2+][C@@H](CN1CCOC[C@@H]1C)c1ccc(OC)cc1 ZINC000043891456 175118217 /nfs/dbraw/zinc/11/82/17/175118217.db2.gz SLPBLJOSMUPKEM-BBRMVZONSA-N 1 0 278.396 2.067 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2OC[C@H]1N1CCC(OC)CC1 ZINC000043890284 175118277 /nfs/dbraw/zinc/11/82/77/175118277.db2.gz CTCFTMJINUBHIK-WBVHZDCISA-N 1 0 290.407 2.209 10 0 CEAERO C[NH2+][C@H](CN1CCOC[C@@H]1C)c1ccc(C)cc1C ZINC000043891125 175118336 /nfs/dbraw/zinc/11/83/36/175118336.db2.gz SJEAVVXNRHKTHO-GOEBONIOSA-N 1 0 262.397 2.285 10 0 CEAERO CCC[NH2+][C@@H]1CCCCC[C@H]1N1CCOC[C@@H]1C ZINC000043891748 175118656 /nfs/dbraw/zinc/11/86/56/175118656.db2.gz WWWMSVOGNNIZAR-RRFJBIMHSA-N 1 0 254.418 2.408 10 0 CEAERO CCC[NH2+][C@H]1CCCCC[C@H]1N1CCOC[C@@H]1C ZINC000043891751 175118670 /nfs/dbraw/zinc/11/86/70/175118670.db2.gz WWWMSVOGNNIZAR-SOUVJXGZSA-N 1 0 254.418 2.408 10 0 CEAERO C[NH2+][C@H](CN(C)Cc1ccncc1)c1ccccc1 ZINC000043893781 175118736 /nfs/dbraw/zinc/11/87/36/175118736.db2.gz YCZDNUXUXMWSFC-MRXNPFEDSA-N 1 0 255.365 2.474 10 0 CEAERO C[NH2+][C@@H](c1ccccc1)[C@@H](C)N1CCOC(C)(C)C1 ZINC000043897609 175120431 /nfs/dbraw/zinc/12/04/31/175120431.db2.gz XSUASYWDYFXXHO-UKRRQHHQSA-N 1 0 262.397 2.446 10 0 CEAERO CC[NH2+][C@H]1CCOC[C@@H]1N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000043900039 175121879 /nfs/dbraw/zinc/12/18/79/175121879.db2.gz QJIISSCGMZMPJZ-FZKCQIBNSA-N 1 0 266.429 2.266 10 0 CEAERO C[NH2+][C@@H](CN1CCC[C@@H]1C)c1ccc(OC)c(OC)c1 ZINC000043902716 175122649 /nfs/dbraw/zinc/12/26/49/175122649.db2.gz NJJBKBVDPMILQQ-JSGCOSHPSA-N 1 0 278.396 2.449 10 0 CEAERO CCOC1CCN([C@H]2COc3ccccc3[C@@H]2[NH2+]C)CC1 ZINC000043907135 175123451 /nfs/dbraw/zinc/12/34/51/175123451.db2.gz LRZJBQAOUALSAS-RDJZCZTQSA-N 1 0 290.407 2.209 10 0 CEAERO CCC[NH2+][C@@H]1CCC[C@H]1N1CCC(OCC)CC1 ZINC000043907537 175123515 /nfs/dbraw/zinc/12/35/15/175123515.db2.gz QAHBRICSNHZHGV-HUUCEWRRSA-N 1 0 254.418 2.408 10 0 CEAERO C[NH2+][C@@H](CN(CCOC)CCOC)c1ccc(C)cc1C ZINC000043912531 175123973 /nfs/dbraw/zinc/12/39/73/175123973.db2.gz XGCUCCMXSIYWJA-KRWDZBQOSA-N 1 0 294.439 2.159 10 0 CEAERO CC[C@H]1CO[C@@H](C)CN1[C@@H]1COc2ccccc2[C@@H]1[NH2+]C ZINC000043913932 175124350 /nfs/dbraw/zinc/12/43/50/175124350.db2.gz FLZNXYOVGBGSLH-LBEHMCEESA-N 1 0 290.407 2.207 10 0 CEAERO CC[NH2+][C@@H](CN1CCOCC1(C)C)c1ccc(OC)cc1 ZINC000043917032 175125516 /nfs/dbraw/zinc/12/55/16/175125516.db2.gz QZCGGHACPXCYHZ-INIZCTEOSA-N 1 0 292.423 2.457 10 0 CEAERO CCOc1ccccc1[C@@H](CN(C)[C@@H](C)COC)[NH2+]C ZINC000043969101 175130261 /nfs/dbraw/zinc/13/02/61/175130261.db2.gz VWFRSLNVENSIKG-DZGCQCFKSA-N 1 0 280.412 2.313 10 0 CEAERO CC[NH+]1CCN(C[C@H](O)c2c(C)cc(C)cc2C)CC1 ZINC000044114498 175141728 /nfs/dbraw/zinc/14/17/28/175141728.db2.gz IELSCHCETKOWSG-INIZCTEOSA-N 1 0 276.424 2.283 10 0 CEAERO Cc1cccc(OCC[NH2+][C@H]2CN3CCC2CC3)c1 ZINC000044296042 175160703 /nfs/dbraw/zinc/16/07/03/175160703.db2.gz KGZMFGWJOWKJAQ-INIZCTEOSA-N 1 0 260.381 2.058 10 0 CEAERO c1ccc2c(c1)OCc1sc(N3CC[NH2+]CC3)nc1-2 ZINC000044494136 175181976 /nfs/dbraw/zinc/18/19/76/175181976.db2.gz CWFSAGYBKXUVKQ-UHFFFAOYSA-N 1 0 273.361 2.112 10 0 CEAERO C[NH2+][C@@H]1CCCc2cc(OCC(=O)NC(C)C)ccc21 ZINC000044745408 175241944 /nfs/dbraw/zinc/24/19/44/175241944.db2.gz SNOQIPIUYCSAAT-OAHLLOKOSA-N 1 0 276.380 2.187 10 0 CEAERO Oc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CN2CCC1CC2 ZINC000044746746 175242599 /nfs/dbraw/zinc/24/25/99/175242599.db2.gz UCDOBEQVUFGYQA-DLBZAZTESA-N 1 0 272.392 2.453 10 0 CEAERO Cc1cc(N)ccc1C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000044749090 175244310 /nfs/dbraw/zinc/24/43/10/175244310.db2.gz OZVMEAPXJHBIDZ-AWEZNQCLSA-N 1 0 277.412 2.283 10 0 CEAERO C[C@@H](CCc1ccco1)NC(=O)C1(C[NH3+])CCCC1 ZINC000044763864 175247809 /nfs/dbraw/zinc/24/78/09/175247809.db2.gz NAGGBNZSDHIWQT-LBPRGKRZSA-N 1 0 264.369 2.236 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)Nc1ccccc1OCC ZINC000044797793 175254577 /nfs/dbraw/zinc/25/45/77/175254577.db2.gz DTIPDKYJBXHXPB-NSHDSACASA-N 1 0 250.342 2.399 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)NCc1ccco1 ZINC000044795576 175254768 /nfs/dbraw/zinc/25/47/68/175254768.db2.gz IYUWXLVZVSXDKA-UHFFFAOYSA-N 1 0 252.358 2.441 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)Nc1ccc(OC(C)C)cc1 ZINC000044799807 175255502 /nfs/dbraw/zinc/25/55/02/175255502.db2.gz XLLQXRFXUUPYLC-NSHDSACASA-N 1 0 250.342 2.397 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)N1CCO[C@@H](CC)C1 ZINC000044801713 175255733 /nfs/dbraw/zinc/25/57/33/175255733.db2.gz VXDMTYCDJZLLAZ-ZDUSSCGKSA-N 1 0 270.417 2.169 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)N1CCOC(C)(C)C1 ZINC000044802275 175256226 /nfs/dbraw/zinc/25/62/26/175256226.db2.gz VYDQYJSNWALNEB-UHFFFAOYSA-N 1 0 270.417 2.169 10 0 CEAERO CC[C@H](NC(=O)[C@H](C[NH3+])Cc1ccccc1)C(C)C ZINC000044805643 175256386 /nfs/dbraw/zinc/25/63/86/175256386.db2.gz BIASUXUJSWSVGR-GJZGRUSLSA-N 1 0 262.397 2.355 10 0 CEAERO CNC(=O)CC[NH2+][C@@H](C)c1sccc1Br ZINC000044990336 175286154 /nfs/dbraw/zinc/28/61/54/175286154.db2.gz JIZNFFDEUYHUGF-ZETCQYMHSA-N 1 0 291.214 2.297 10 0 CEAERO CCC[NH2+][C@H]1CCN(Cc2cc(C)no2)C[C@@H]1C ZINC000044994969 175287305 /nfs/dbraw/zinc/28/73/05/175287305.db2.gz IYUXDHIPDQPWNH-FZMZJTMJSA-N 1 0 251.374 2.193 10 0 CEAERO C[C@@H](CN1C(=S)N=NC1C1CC1)[NH+]1CCCCC1 ZINC000045005119 175288230 /nfs/dbraw/zinc/28/82/30/175288230.db2.gz DUUWINWHBFSCQZ-JTQLQIEISA-N 1 0 266.414 2.319 10 0 CEAERO CC[C@H](C)NC(=O)CCn1c(N)[nH+]c2cc(F)ccc21 ZINC000045005588 175288406 /nfs/dbraw/zinc/28/84/06/175288406.db2.gz WVWVCPWNTXFQLK-VIFPVBQESA-N 1 0 278.331 2.062 10 0 CEAERO CC[N@H+](CC(N)=S)Cc1cccc2cccnc21 ZINC000045063359 175298954 /nfs/dbraw/zinc/29/89/54/175298954.db2.gz GDBVCSWMPJGVQB-UHFFFAOYSA-N 1 0 259.378 2.343 10 0 CEAERO C[C@H]([NH2+]CCCS(N)(=O)=O)c1ccc(C(C)(C)C)cc1 ZINC000045066851 175300056 /nfs/dbraw/zinc/30/00/56/175300056.db2.gz CYOBXDPVRDJOBJ-LBPRGKRZSA-N 1 0 298.452 2.313 10 0 CEAERO C[C@]([NH3+])(C(=O)N1CCC[C@H]1C1CCCC1)C1CC1 ZINC000045088360 175304190 /nfs/dbraw/zinc/30/41/90/175304190.db2.gz MPSZODUUSMUHIR-DZGCQCFKSA-N 1 0 250.386 2.295 10 0 CEAERO CCC[N@H+](CC(N)=S)Cc1ncc(C)c(OC)c1C ZINC000045093517 175307140 /nfs/dbraw/zinc/30/71/40/175307140.db2.gz IBFXMSBDLODSTB-UHFFFAOYSA-N 1 0 281.425 2.205 10 0 CEAERO CO[C@H]1CCCC[C@@H]1[NH2+]CCCCn1ccnc1 ZINC000045106352 175308008 /nfs/dbraw/zinc/30/80/08/175308008.db2.gz VMSRVJJTIHFZTH-KBPBESRZSA-N 1 0 251.374 2.211 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)[NH2+][C@H](CC(C)C)C(=O)N(C)C ZINC000045170067 175320402 /nfs/dbraw/zinc/32/04/02/175320402.db2.gz VVICQVMQGJTPRU-BXUZGUMPSA-N 1 0 294.443 2.190 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCOC2)c1C ZINC000045171519 175321117 /nfs/dbraw/zinc/32/11/17/175321117.db2.gz LPPAWTPONGJKIZ-ZWNOBZJWSA-N 1 0 251.374 2.207 10 0 CEAERO CCCC[N@H+](CC)C[C@@](C)(NC1CC1)C(=O)OCC ZINC000045223330 175331472 /nfs/dbraw/zinc/33/14/72/175331472.db2.gz MAMMGMBPOVNSEB-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO COC(=O)[C@@](C)(C[NH+]1CCCCCCC1)NC(C)C ZINC000045223691 175331538 /nfs/dbraw/zinc/33/15/38/175331538.db2.gz NGLMZVLWSYHABE-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CCCC[N@H+](CC)C[C@](C)(NCC)C(=O)OCC ZINC000045223286 175331576 /nfs/dbraw/zinc/33/15/76/175331576.db2.gz IHRCSDYUWLTFGQ-AWEZNQCLSA-N 1 0 258.406 2.040 10 0 CEAERO CCCN[C@@](C[NH+]1CCCC1)(C(=O)OC)c1ccccc1 ZINC000045225712 175332536 /nfs/dbraw/zinc/33/25/36/175332536.db2.gz AFEHKKSOYZVNEI-QGZVFWFLSA-N 1 0 290.407 2.150 10 0 CEAERO CCCC[NH+](CCCC)CC[C@@](C)(N)C(=O)OC ZINC000045232769 175336229 /nfs/dbraw/zinc/33/62/29/175336229.db2.gz PZZUUGJCZXDARH-CQSZACIVSA-N 1 0 258.406 2.169 10 0 CEAERO CCOC(=O)[C@](C)(CC[N@H+](C)CC(C)C)NC(C)C ZINC000045263710 175337554 /nfs/dbraw/zinc/33/75/54/175337554.db2.gz FJMCSSVKHLRZLN-HNNXBMFYSA-N 1 0 272.433 2.284 10 0 CEAERO CCOC(=O)[C@](C)(C[N@@H+]1CCCC[C@@H]1CC)NC1CC1 ZINC000045265892 175338785 /nfs/dbraw/zinc/33/87/85/175338785.db2.gz KHTDHJGXHHHPKJ-HOCLYGCPSA-N 1 0 282.428 2.325 10 0 CEAERO CCC[NH2+][C@@](C)(CC[N@@H+]1CCCC[C@@H]1CC)C(=O)[O-] ZINC000045265912 175339413 /nfs/dbraw/zinc/33/94/13/175339413.db2.gz NFNPUAOGPIFMOU-ZFWWWQNUSA-N 1 0 270.417 2.484 10 0 CEAERO CCCN[C@](C)(CC[N@H+](CC)CCC)C(=O)OC ZINC000045267700 175340137 /nfs/dbraw/zinc/34/01/37/175340137.db2.gz CGQNMGBBPDGZDK-CQSZACIVSA-N 1 0 258.406 2.040 10 0 CEAERO CCCN[C@@](C)(C[N@H+](CC)CCC)C(=O)OCC ZINC000045267570 175340308 /nfs/dbraw/zinc/34/03/08/175340308.db2.gz SDAHMPHISZSMHC-AWEZNQCLSA-N 1 0 258.406 2.040 10 0 CEAERO CCOC(=O)[C@@](N)(C[N@H+](C)C[C@@H](C)CC)c1ccccc1 ZINC000045268310 175340592 /nfs/dbraw/zinc/34/05/92/175340592.db2.gz SBBHLEYUQCYRJM-WMLDXEAASA-N 1 0 292.423 2.382 10 0 CEAERO CCOC(=O)[C@@](C)(C[N@H+](C)[C@@H](C)C(C)C)NC1CC1 ZINC000045269887 175341770 /nfs/dbraw/zinc/34/17/70/175341770.db2.gz UHOFVIYFAQWZFO-SWLSCSKDSA-N 1 0 270.417 2.037 10 0 CEAERO CCCN[C@](C)(CC[N@H+](C)[C@@H](C)C1CC1)C(=O)OCC ZINC000045270351 175341883 /nfs/dbraw/zinc/34/18/83/175341883.db2.gz STDNSCBHAVPNHL-XJKSGUPXSA-N 1 0 284.444 2.428 10 0 CEAERO COC(=O)[C@@](C)(C[N@H+](C)C1CCCCCC1)NC1CC1 ZINC000045271938 175342797 /nfs/dbraw/zinc/34/27/97/175342797.db2.gz GHBWZYGKYXVLPD-MRXNPFEDSA-N 1 0 282.428 2.325 10 0 CEAERO CCC[N@H+](CC[C@](C)(NC)C(=O)OCC)CC1CC1 ZINC000045276900 175346919 /nfs/dbraw/zinc/34/69/19/175346919.db2.gz XYDJHBNDAZYCCT-HNNXBMFYSA-N 1 0 270.417 2.040 10 0 CEAERO COC(=O)[C@@](N)(C[N@H+](CC(C)C)C1CC1)c1ccccc1 ZINC000045277449 175347204 /nfs/dbraw/zinc/34/72/04/175347204.db2.gz HJFUICPJGYJYPP-QGZVFWFLSA-N 1 0 290.407 2.134 10 0 CEAERO CCCN[C@](C)(CC[N@H+](CC)CC(CC)CC)C(N)=O ZINC000045277855 175348020 /nfs/dbraw/zinc/34/80/20/175348020.db2.gz VSESBIAVOBLPME-MRXNPFEDSA-N 1 0 285.476 2.378 10 0 CEAERO CCOC(=O)[C@@](C)(CC[N@H+](C)[C@@H](C)CC(C)C)NC ZINC000045280011 175350362 /nfs/dbraw/zinc/35/03/62/175350362.db2.gz HZEVCYIUZOIHGR-DZGCQCFKSA-N 1 0 272.433 2.284 10 0 CEAERO CCCN[C@@](C)(CC[N@H+](CC1CC1)C(C)C)C(=O)OC ZINC000045281047 175350771 /nfs/dbraw/zinc/35/07/71/175350771.db2.gz WKGZJQNCUSFPHZ-INIZCTEOSA-N 1 0 284.444 2.428 10 0 CEAERO CCN[C@@](C)(CC[N@H+](C)C1CCC(CC)CC1)C(N)=O ZINC000045281155 175351671 /nfs/dbraw/zinc/35/16/71/175351671.db2.gz DYTVMWBIKATOFB-XUJLQICISA-N 1 0 283.460 2.131 10 0 CEAERO CCC1CC[NH+](C[C@](N)(C(=O)OC)c2ccccc2)CC1 ZINC000045281334 175351863 /nfs/dbraw/zinc/35/18/63/175351863.db2.gz JTNVBNAVTWEMQX-QGZVFWFLSA-N 1 0 290.407 2.136 10 0 CEAERO CCCC[N@H+](C)CCCC[C@](C)([NH2+]CC)C(=O)[O-] ZINC000045368168 175362844 /nfs/dbraw/zinc/36/28/44/175362844.db2.gz RETJWRSVAJVRSD-AWEZNQCLSA-N 1 0 258.406 2.341 10 0 CEAERO CCN[C@@](C)(CCCC[NH+](CC)CC)C(=O)OCC ZINC000045375844 175366204 /nfs/dbraw/zinc/36/62/04/175366204.db2.gz GVMMSIMDFPMJGH-HNNXBMFYSA-N 1 0 272.433 2.430 10 0 CEAERO COC(=O)[C@](C)(CCC[N@@H+]1CCC[C@@H](C)C1)NC(C)C ZINC000045377292 175367078 /nfs/dbraw/zinc/36/70/78/175367078.db2.gz ZCQZJQVFKFIQEX-ZBFHGGJFSA-N 1 0 284.444 2.428 10 0 CEAERO CC[NH2+][C@](C)(CCCC[NH+]1CCCCCC1)C(=O)[O-] ZINC000045377415 175367271 /nfs/dbraw/zinc/36/72/71/175367271.db2.gz PSXGVCIRBHDGSC-OAHLLOKOSA-N 1 0 270.417 2.486 10 0 CEAERO CCOC(=O)[C@](C)(CCCC[NH+]1CCCCC1)NC ZINC000045378242 175367767 /nfs/dbraw/zinc/36/77/67/175367767.db2.gz MVJCQHXDODXTNG-HNNXBMFYSA-N 1 0 270.417 2.184 10 0 CEAERO CCC[NH+](CCC)C[C@@H](NC(C)C)C(=O)OCC ZINC000045378464 175367818 /nfs/dbraw/zinc/36/78/18/175367818.db2.gz WUYXXRMIFBGFJB-CYBMUJFWSA-N 1 0 258.406 2.038 10 0 CEAERO C[NH2+][C@@](C)(CCCC[N@H+](C)C1CCCCC1)C(=O)[O-] ZINC000045379042 175368168 /nfs/dbraw/zinc/36/81/68/175368168.db2.gz CWLMFKGXRYEBHW-HNNXBMFYSA-N 1 0 270.417 2.484 10 0 CEAERO CC[NH2+][C@](C)(CCC[N@@H+]1CCc2ccccc2C1)C(=O)[O-] ZINC000045378773 175368279 /nfs/dbraw/zinc/36/82/79/175368279.db2.gz CJROJGSSRYBNMM-QGZVFWFLSA-N 1 0 290.407 2.278 10 0 CEAERO CCCC[NH+](CCCC)C[C@@H](NC)C(=O)OCC ZINC000045380501 175369054 /nfs/dbraw/zinc/36/90/54/175369054.db2.gz DEQMMUCVZIHZCV-CYBMUJFWSA-N 1 0 258.406 2.040 10 0 CEAERO CCC[N@H+](C)CCCC[C@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045382110 175369789 /nfs/dbraw/zinc/36/97/89/175369789.db2.gz JHJPNHZNUAMTBQ-AWEZNQCLSA-N 1 0 258.406 2.340 10 0 CEAERO CCN[C@](C)(CCC[N@H+](C)C1CCCC1)C(=O)OC ZINC000045384864 175371680 /nfs/dbraw/zinc/37/16/80/175371680.db2.gz CURIYLLYLUIAHD-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CN[C@@](C)(CCC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)OC ZINC000045419348 175377903 /nfs/dbraw/zinc/37/79/03/175377903.db2.gz GUPDTUYSQDRDSG-UXLLHSPISA-N 1 0 296.455 2.430 10 0 CEAERO CC(C)[NH2+][C@@](C)(CCCC[N@@H+]1CC[C@@H](C)C1)C(=O)[O-] ZINC000045420249 175378539 /nfs/dbraw/zinc/37/85/39/175378539.db2.gz XXLBHJCSDFPJHW-HIFRSBDPSA-N 1 0 270.417 2.340 10 0 CEAERO C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000658240367 415272988 /nfs/dbraw/zinc/27/29/88/415272988.db2.gz QWHYTQMKHGZMTJ-ZJUUUORDSA-N 1 0 266.307 2.175 10 0 CEAERO CC(C)CC[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)C1CC1 ZINC000658239837 415274656 /nfs/dbraw/zinc/27/46/56/415274656.db2.gz FVFOSTMZPZHMRP-JSGCOSHPSA-N 1 0 252.402 2.269 10 0 CEAERO C[C@@H](CCCC(F)(F)F)[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000658240364 415274736 /nfs/dbraw/zinc/27/47/36/415274736.db2.gz QWHYTQMKHGZMTJ-UWVGGRQHSA-N 1 0 266.307 2.175 10 0 CEAERO CC[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1ccsc1 ZINC000658240302 415274974 /nfs/dbraw/zinc/27/49/74/415274974.db2.gz IEZNKBHOGGSUHE-JQWIXIFHSA-N 1 0 252.383 2.267 10 0 CEAERO CN1C[C@@H](C[NH2+][C@@H](C2CC2)C2CCCC2)CC1=O ZINC000658242915 415277487 /nfs/dbraw/zinc/27/74/87/415277487.db2.gz WETWFVBYEBXGPS-IAQYHMDHSA-N 1 0 250.386 2.023 10 0 CEAERO CN1C[C@@H](C[NH2+][C@H](C2CC2)C2CCCC2)CC1=O ZINC000658242914 415277559 /nfs/dbraw/zinc/27/75/59/415277559.db2.gz WETWFVBYEBXGPS-ABAIWWIYSA-N 1 0 250.386 2.023 10 0 CEAERO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1cc(F)cc(F)c1 ZINC000658243084 415277914 /nfs/dbraw/zinc/27/79/14/415277914.db2.gz AGAJRSIPCGQMEO-NXEZZACHSA-N 1 0 268.307 2.094 10 0 CEAERO Cc1nccc(CNc2cccc(OCC[NH+](C)C)c2)n1 ZINC000054790458 175564179 /nfs/dbraw/zinc/56/41/79/175564179.db2.gz ORLIJVVUYRMXQA-UHFFFAOYSA-N 1 0 286.379 2.338 10 0 CEAERO CCc1cc(N(C)c2ccc(C(N)=[NH2+])cc2)ncn1 ZINC000061952016 175658639 /nfs/dbraw/zinc/65/86/39/175658639.db2.gz LPOLQVKYCPBDFW-UHFFFAOYSA-N 1 0 255.325 2.091 10 0 CEAERO CCCC[C@H](O)C1CC[NH+](C2CCN(C(C)=O)CC2)CC1 ZINC000065288677 175708198 /nfs/dbraw/zinc/70/81/98/175708198.db2.gz ZAPFNULTSWOYDN-KRWDZBQOSA-N 1 0 296.455 2.260 10 0 CEAERO O=C([C@@H]1CC[NH2+]C1)N1CC[C@@H](C2CCCCC2)C1 ZINC000659358058 415538878 /nfs/dbraw/zinc/53/88/78/415538878.db2.gz OKDUIWCGKDPMMI-ZIAGYGMSSA-N 1 0 250.386 2.025 10 0 CEAERO CCC[C@@H]1C[C@@H]([NH2+]C2CCN(CC)CC2)CCO1 ZINC000070359228 175888722 /nfs/dbraw/zinc/88/87/22/175888722.db2.gz STGHYPYAJOMDLE-LSDHHAIUSA-N 1 0 254.418 2.408 10 0 CEAERO COc1ccc(C[C@@H]([NH3+])c2cc(C)cnc2N)cc1OC ZINC000070404680 175912224 /nfs/dbraw/zinc/91/22/24/175912224.db2.gz ZVAVPZJFMZHXEF-CYBMUJFWSA-N 1 0 287.363 2.232 10 0 CEAERO C([NH2+]C1CCCC1)c1nc([C@H]2C[C@H]3CC[C@@H]2O3)no1 ZINC000070427556 175923013 /nfs/dbraw/zinc/92/30/13/175923013.db2.gz LQBVYZYJHIDEMB-WOPDTQHZSA-N 1 0 263.341 2.137 10 0 CEAERO CCC[C@@H](CC)NS(=O)(=O)c1cc(C[NH3+])ccc1C ZINC000070431146 175926641 /nfs/dbraw/zinc/92/66/41/175926641.db2.gz KBVKPQQYHFDTCN-CYBMUJFWSA-N 1 0 284.425 2.311 10 0 CEAERO CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000070446788 175938526 /nfs/dbraw/zinc/93/85/26/175938526.db2.gz PXSYLDXSFAYJDX-HRCADAONSA-N 1 0 290.407 2.254 10 0 CEAERO COc1ccc(-c2nc(C)c(C)c(N3CC[C@@H]([NH3+])C3)n2)cc1 ZINC000070455860 175940350 /nfs/dbraw/zinc/94/03/50/175940350.db2.gz GSYPOHITQCPBMY-CQSZACIVSA-N 1 0 298.390 2.306 10 0 CEAERO Cc1ccccc1-c1cc2c(N3CC[C@@H]([NH3+])C3)nccn2n1 ZINC000070459341 175941693 /nfs/dbraw/zinc/94/16/93/175941693.db2.gz NQWSOKUBOZTESV-CYBMUJFWSA-N 1 0 293.374 2.242 10 0 CEAERO CC(C)[NH2+]C[C@H]1CC[C@H](Cn2cc(C(F)(F)F)cn2)O1 ZINC000070467815 175947572 /nfs/dbraw/zinc/94/75/72/175947572.db2.gz XBUTYGKLSOIIHJ-VXGBXAGGSA-N 1 0 291.317 2.448 10 0 CEAERO FC(F)(F)c1cnn(CC[NH2+]Cc2ccco2)c1 ZINC000070467967 175947847 /nfs/dbraw/zinc/94/78/47/175947847.db2.gz MPPLXVHKOUVNLK-UHFFFAOYSA-N 1 0 259.231 2.285 10 0 CEAERO CCCCCCNS(=O)(=O)c1ccc(CC[NH3+])cc1 ZINC000070468727 175948012 /nfs/dbraw/zinc/94/80/12/175948012.db2.gz DPIBIGKAUMTXDG-UHFFFAOYSA-N 1 0 284.425 2.046 10 0 CEAERO CCC[NH2+][C@@](CO)(Cn1c(C)nc2ccccc21)C1CC1 ZINC000070515896 175964900 /nfs/dbraw/zinc/96/49/00/175964900.db2.gz QZLBGDHFWCKGCE-QGZVFWFLSA-N 1 0 287.407 2.485 10 0 CEAERO C[NH2+][C@@](C)(CO)C[C@@H](C)Oc1cccc2cccnc21 ZINC000070517798 175966053 /nfs/dbraw/zinc/96/60/53/175966053.db2.gz UAVXMOXKKIJNMI-MLGOLLRUSA-N 1 0 274.364 2.363 10 0 CEAERO CCCN(CC(F)(F)F)C[C@@](O)(C[NH3+])c1ccccc1 ZINC000070521409 175966650 /nfs/dbraw/zinc/96/66/50/175966650.db2.gz DIKSLHHJXCRYNP-ZDUSSCGKSA-N 1 0 290.329 2.107 10 0 CEAERO COc1ccccc1N(C)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000070578012 175993723 /nfs/dbraw/zinc/99/37/23/175993723.db2.gz VSSKAUUSNMCWKK-NWDGAFQWSA-N 1 0 262.353 2.176 10 0 CEAERO CC[NH2+]Cc1csc(N(C)CC(F)(F)F)n1 ZINC000070682022 176001370 /nfs/dbraw/zinc/00/13/70/176001370.db2.gz FCHGLZONSCXDDH-UHFFFAOYSA-N 1 0 253.293 2.251 10 0 CEAERO C[N@H+](CCOc1ccc(F)cc1)C[C@@H](O)COC(C)(C)C ZINC000070869832 176009543 /nfs/dbraw/zinc/00/95/43/176009543.db2.gz WFHJEEYAQHLTKC-CQSZACIVSA-N 1 0 299.386 2.312 10 0 CEAERO C[C@H]([NH3+])c1csc(NC(=O)CC(F)(F)F)n1 ZINC000070884903 176010216 /nfs/dbraw/zinc/01/02/16/176010216.db2.gz RORVMDYRHFJYFM-BYPYZUCNSA-N 1 0 253.249 2.054 10 0 CEAERO Cc1ccc(C)c([C@H]2[C@H]([NH3+])CCC(=O)N2C2CC2)c1 ZINC000070987399 176018687 /nfs/dbraw/zinc/01/86/87/176018687.db2.gz UIWZTHKPVRNHMH-ZBFHGGJFSA-N 1 0 258.365 2.457 10 0 CEAERO CC[NH2+][C@@H]1CCN(CCC2CCC(C)CC2)C1=O ZINC000071029736 176022210 /nfs/dbraw/zinc/02/22/10/176022210.db2.gz FXOKVPGTAUXSIA-JXQTWKCFSA-N 1 0 252.402 2.413 10 0 CEAERO CC[NH2+][C@H]1CCCN([C@H](C)Cc2ccc(F)cc2)C1=O ZINC000071031276 176022495 /nfs/dbraw/zinc/02/24/95/176022495.db2.gz JZBDXBJCUQRORO-DOMZBBRYSA-N 1 0 278.371 2.357 10 0 CEAERO CCN(CC)c1ccc(N2CC[C@H]([NH2+]C3CC3)C2=O)cc1 ZINC000071031301 176022498 /nfs/dbraw/zinc/02/24/98/176022498.db2.gz FRKPHGYWYZETBD-INIZCTEOSA-N 1 0 287.407 2.390 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN(CC2CCC(C)CC2)C1=O ZINC000071031308 176022735 /nfs/dbraw/zinc/02/27/35/176022735.db2.gz ZNULXQOBXFDHLR-JXQTWKCFSA-N 1 0 252.402 2.412 10 0 CEAERO C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([NH2+]C2CC2)C1=O ZINC000071032079 176022817 /nfs/dbraw/zinc/02/28/17/176022817.db2.gz AYTXKWMBKAMEGM-IINYFYTJSA-N 1 0 262.328 2.240 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCCN1[C@@H]1C[C@@H]1c1ccccc1 ZINC000071031712 176023232 /nfs/dbraw/zinc/02/32/32/176023232.db2.gz NLBNKSOEDHRGPX-OWCLPIDISA-N 1 0 270.376 2.286 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCN1c1cccc(Cl)c1 ZINC000071032561 176023739 /nfs/dbraw/zinc/02/37/39/176023739.db2.gz YDRMVABXSXCWKW-GFCCVEGCSA-N 1 0 250.729 2.197 10 0 CEAERO CC(C)c1csc(N2CC[C@H]([NH2+]C3CC3)C2=O)n1 ZINC000071033783 176024182 /nfs/dbraw/zinc/02/41/82/176024182.db2.gz SUDJVFCUYVWCNB-JTQLQIEISA-N 1 0 265.382 2.124 10 0 CEAERO CC(C)[NH2+][C@H]1CCCN(C[C@H]2CC=CCC2)C1=O ZINC000071034561 176024951 /nfs/dbraw/zinc/02/49/51/176024951.db2.gz MAYXHXZOLJYBHH-KBPBESRZSA-N 1 0 250.386 2.332 10 0 CEAERO CC[NH2+][C@H]1CCCN([C@H](C)CCc2ccco2)C1=O ZINC000071036770 176025823 /nfs/dbraw/zinc/02/58/23/176025823.db2.gz FMUIDOJXPGJZTH-OCCSQVGLSA-N 1 0 264.369 2.201 10 0 CEAERO COc1ccccc1CN1CCC[C@@H]([NH2+]C(C)C)C1=O ZINC000071038039 176026752 /nfs/dbraw/zinc/02/67/52/176026752.db2.gz FWYYMKSDEARAET-CQSZACIVSA-N 1 0 276.380 2.184 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCCN1C1CCCCCC1 ZINC000071039664 176026964 /nfs/dbraw/zinc/02/69/64/176026964.db2.gz MNQAXJFOCXUPDZ-CQSZACIVSA-N 1 0 250.386 2.452 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCN1Cc1ccc(Cl)cc1 ZINC000071038658 176027107 /nfs/dbraw/zinc/02/71/07/176027107.db2.gz FSKMHZWSWJAKTO-ZDUSSCGKSA-N 1 0 264.756 2.193 10 0 CEAERO CCC[NH2+][C@H]1CCCN([C@H](C)c2ccccn2)C1=O ZINC000071040332 176027666 /nfs/dbraw/zinc/02/76/66/176027666.db2.gz DTFRKQNAIDAXMC-OCCSQVGLSA-N 1 0 261.369 2.133 10 0 CEAERO C[C@H](c1cccs1)N1CC[C@H]([NH2+]C2CC2)C1=O ZINC000071040247 176027668 /nfs/dbraw/zinc/02/76/68/176027668.db2.gz RFGQZENECPMQTD-KOLCDFICSA-N 1 0 250.367 2.162 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCCN1CCC1CCCC1 ZINC000071041399 176028023 /nfs/dbraw/zinc/02/80/23/176028023.db2.gz MNDGBEQNSBLGAU-CQSZACIVSA-N 1 0 250.386 2.310 10 0 CEAERO CC[NH2+][C@H]1CCCN([C@H]2CCc3ccccc3C2)C1=O ZINC000071041963 176028246 /nfs/dbraw/zinc/02/82/46/176028246.db2.gz BPSBTJVTMSDPLO-HOTGVXAUSA-N 1 0 272.392 2.144 10 0 CEAERO CC[NH2+][C@@H]1CCCN(c2ccc(OC)cc2C)C1=O ZINC000071042625 176028474 /nfs/dbraw/zinc/02/84/74/176028474.db2.gz ITCIBYFONMSWKA-CYBMUJFWSA-N 1 0 262.353 2.109 10 0 CEAERO CC(C)[NH2+][C@H]1CCCN([C@H]2COc3ccccc32)C1=O ZINC000071044282 176029951 /nfs/dbraw/zinc/02/99/51/176029951.db2.gz JNLGUVVTSZCGDH-KBPBESRZSA-N 1 0 274.364 2.109 10 0 CEAERO CC(C)N(C)CC[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000071091127 176031442 /nfs/dbraw/zinc/03/14/42/176031442.db2.gz OGRXNNDIXZBTLV-INIZCTEOSA-N 1 0 262.397 2.230 10 0 CEAERO CC[C@@H]1CCC[C@](C[NH3+])(N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000071122580 176034848 /nfs/dbraw/zinc/03/48/48/176034848.db2.gz ZEAMSEUYUQTBOH-BARDWOONSA-N 1 0 254.418 2.393 10 0 CEAERO CC[C@H]1CCC[C@](C[NH3+])(N2CCOC[C@@H]2CC)C1 ZINC000071123471 176035428 /nfs/dbraw/zinc/03/54/28/176035428.db2.gz ZMGURZJVKIOKHI-KKUMJFAQSA-N 1 0 254.418 2.395 10 0 CEAERO C[NH2+]C[C@H]1CCN([C@@H](C)c2ccc3c(c2)OCO3)C1 ZINC000071141908 176040096 /nfs/dbraw/zinc/04/00/96/176040096.db2.gz CXJIRMIYHMSOOM-NWDGAFQWSA-N 1 0 262.353 2.018 10 0 CEAERO C[NH2+]C[C@@H]1CCN(Cc2c(F)c(F)c(F)c(F)c2F)C1 ZINC000071145993 176041942 /nfs/dbraw/zinc/04/19/42/176041942.db2.gz VWAUNILQQUOYOM-ZETCQYMHSA-N 1 0 294.267 2.423 10 0 CEAERO CC[C@@H]1CCCC[C@@]1(C[NH3+])N1CCC[C@@H]1C[NH+](C)C ZINC000071162129 176045995 /nfs/dbraw/zinc/04/59/95/176045995.db2.gz QFASAOFHPZVOCB-OAGGEKHMSA-N 1 0 267.461 2.310 10 0 CEAERO CC[C@H]1CCCC[C@]1(C[NH3+])N1CC[N@H+](C)C(C)(C)C1 ZINC000071162262 176046547 /nfs/dbraw/zinc/04/65/47/176046547.db2.gz ACZRNAHRAHNJOE-GOEBONIOSA-N 1 0 267.461 2.310 10 0 CEAERO COc1ccc(C[C@](C)(CN)[N@H+](C)C2CCOCC2)cc1 ZINC000071169146 176049922 /nfs/dbraw/zinc/04/99/22/176049922.db2.gz MAKKPBLGJJIVST-QGZVFWFLSA-N 1 0 292.423 2.066 10 0 CEAERO CC(C)(C)c1ccccc1NS(=O)(=O)CCC[NH3+] ZINC000071174341 176053410 /nfs/dbraw/zinc/05/34/10/176053410.db2.gz MCNWKWNDIUDVBL-UHFFFAOYSA-N 1 0 270.398 2.075 10 0 CEAERO COc1cncc(N[C@H](C)c2ccc(C[NH3+])cc2)n1 ZINC000071175825 176054476 /nfs/dbraw/zinc/05/44/76/176054476.db2.gz OAVFYAQFFVCQQG-SNVBAGLBSA-N 1 0 258.325 2.117 10 0 CEAERO CCOc1cncc(N(CCC[NH3+])c2ccccc2)n1 ZINC000071175728 176054650 /nfs/dbraw/zinc/05/46/50/176054650.db2.gz OTNDBIWWSYVTRY-UHFFFAOYSA-N 1 0 272.352 2.362 10 0 CEAERO CCCOc1cncc(NC[C@@H]([NH3+])c2ccccc2)n1 ZINC000071176118 176055008 /nfs/dbraw/zinc/05/50/08/176055008.db2.gz NQLWGRQHVICTSK-CYBMUJFWSA-N 1 0 272.352 2.377 10 0 CEAERO CCCN(c1cncc(OC(C)C)n1)[C@H]1CCC[NH2+]C1 ZINC000071176295 176055040 /nfs/dbraw/zinc/05/50/40/176055040.db2.gz GOVNLTDHHYPRDD-ZDUSSCGKSA-N 1 0 278.400 2.232 10 0 CEAERO NC(=[NH2+])c1cnc(Sc2ccc(C(F)(F)F)cn2)cn1 ZINC000071180538 176056549 /nfs/dbraw/zinc/05/65/49/176056549.db2.gz NOOXKDVABFPGJL-UHFFFAOYSA-N 1 0 299.281 2.326 10 0 CEAERO CC(C)[NH2+]Cc1cc(Cl)ccc1O[C@@H]1CCN(C)C1=O ZINC000071182838 176058047 /nfs/dbraw/zinc/05/80/47/176058047.db2.gz IXBSAVHPCNWLJP-CQSZACIVSA-N 1 0 296.798 2.448 10 0 CEAERO Cc1cc(C[NH2+]C2CC2)cc(C)c1O[C@@H]1CCN(C)C1=O ZINC000071182796 176058137 /nfs/dbraw/zinc/05/81/37/176058137.db2.gz NRRAZAHHMLESRA-OAHLLOKOSA-N 1 0 288.391 2.165 10 0 CEAERO CN1CC[C@@H](Oc2cccc(C[NH2+]C(C)(C)C)c2)C1=O ZINC000071183168 176058435 /nfs/dbraw/zinc/05/84/35/176058435.db2.gz ZIIWSOFTATWMBC-CQSZACIVSA-N 1 0 276.380 2.184 10 0 CEAERO [NH3+]Cc1ccc(N[C@H](CO)Cc2ccccc2)cc1 ZINC000071187504 176060560 /nfs/dbraw/zinc/06/05/60/176060560.db2.gz LZXUDQGDZVGZRO-INIZCTEOSA-N 1 0 256.349 2.161 10 0 CEAERO Cc1cc(C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)ccc1F ZINC000071189356 176064671 /nfs/dbraw/zinc/06/46/71/176064671.db2.gz RTPGMGCDOGLPIJ-GFCCVEGCSA-N 1 0 264.344 2.158 10 0 CEAERO CN(C[C@@H]1CC[N@H+](C)C1)c1cccc(Cl)c1C(N)=S ZINC000071190376 176066487 /nfs/dbraw/zinc/06/64/87/176066487.db2.gz WQDXKPJNAOYOLT-SNVBAGLBSA-N 1 0 297.855 2.362 10 0 CEAERO CC[NH2+][C@H]1CCCN(CCc2ccc(OC)cc2)C1 ZINC000071197900 176076734 /nfs/dbraw/zinc/07/67/34/176076734.db2.gz KOWJUNGQZNOGGL-HNNXBMFYSA-N 1 0 262.397 2.312 10 0 CEAERO COc1ccccc1CN1CCC[C@H]([NH2+]C2CC2)C1 ZINC000071198270 176077306 /nfs/dbraw/zinc/07/73/06/176077306.db2.gz AHAGHOGHQKQDOK-HNNXBMFYSA-N 1 0 260.381 2.412 10 0 CEAERO CCOC(=O)c1ncsc1N[C@H]1CCC[N@H+](CC)C1 ZINC000071202028 176078307 /nfs/dbraw/zinc/07/83/07/176078307.db2.gz BKVCPAWAFZWWQG-JTQLQIEISA-N 1 0 283.397 2.216 10 0 CEAERO C[C@H]([NH3+])CCCCn1cc(C(F)(F)F)ccc1=O ZINC000071211970 176083715 /nfs/dbraw/zinc/08/37/15/176083715.db2.gz ALUMXBBSYWUBQR-VIFPVBQESA-N 1 0 262.275 2.385 10 0 CEAERO Cc1ncsc1CN1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000071213594 176085119 /nfs/dbraw/zinc/08/51/19/176085119.db2.gz GWWSLLRXZKZFSF-YOGCLGLASA-N 1 0 251.399 2.296 10 0 CEAERO COCC[N@H+](CCC(N)=S)Cc1cccc(Cl)c1 ZINC000071225917 176089793 /nfs/dbraw/zinc/08/97/93/176089793.db2.gz RXIDLICSKVZDRK-UHFFFAOYSA-N 1 0 286.828 2.465 10 0 CEAERO CC[C@H]1CO[C@H](C)CN1Cc1ccc(F)cc1C[NH3+] ZINC000071250546 176095082 /nfs/dbraw/zinc/09/50/82/176095082.db2.gz AKGBGQSFIGVNTO-ABAIWWIYSA-N 1 0 266.360 2.284 10 0 CEAERO C[C@@H]1CN(Cc2ccc(F)cc2C[NH3+])CC(C)(C)O1 ZINC000071263566 176096600 /nfs/dbraw/zinc/09/66/00/176096600.db2.gz PJSXULFSKSMIGJ-LLVKDONJSA-N 1 0 266.360 2.284 10 0 CEAERO Cc1nnc(SCc2ccc(F)cc2C[NH3+])o1 ZINC000071264544 176097924 /nfs/dbraw/zinc/09/79/24/176097924.db2.gz GVSKPCFCBJEQFW-UHFFFAOYSA-N 1 0 253.302 2.268 10 0 CEAERO NC(=S)c1cc(F)ccc1C[N@@H+]1CCCC[C@@H]1CCO ZINC000071265693 176099434 /nfs/dbraw/zinc/09/94/34/176099434.db2.gz OEDOJCAHFHUARI-CYBMUJFWSA-N 1 0 296.411 2.197 10 0 CEAERO C[C@@H](Cc1cccs1)[NH2+]CC(=O)NC(C)(C)C ZINC000071270203 176103839 /nfs/dbraw/zinc/10/38/39/176103839.db2.gz CTMWFEXXYHMUDC-JTQLQIEISA-N 1 0 254.399 2.183 10 0 CEAERO CCOC(=O)CCCCCN1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000071297775 176112535 /nfs/dbraw/zinc/11/25/35/176112535.db2.gz IOXOBPPNIYKJES-LSDHHAIUSA-N 1 0 282.428 2.326 10 0 CEAERO C[C@@H](c1ccc2c(c1)OCCCO2)N(C)[C@@H]1CC[NH2+]C1 ZINC000071309630 176116987 /nfs/dbraw/zinc/11/69/87/176116987.db2.gz PWSXOEAGZLAJIU-GXTWGEPZSA-N 1 0 276.380 2.203 10 0 CEAERO CCN([C@@H](C)c1c(C)nn(CC)c1C)[C@@H]1CC[NH2+]C1 ZINC000071312370 176119374 /nfs/dbraw/zinc/11/93/74/176119374.db2.gz DWUOCRPQJLBHPH-GXTWGEPZSA-N 1 0 264.417 2.265 10 0 CEAERO CCN(CC(=O)Nc1ccc(Cl)cc1F)[C@H]1CC[NH2+]C1 ZINC000071313801 176120660 /nfs/dbraw/zinc/12/06/60/176120660.db2.gz UXNXHKPHUUVQGR-NSHDSACASA-N 1 0 299.777 2.101 10 0 CEAERO CCCN([C@@H](C)c1cnn(CC)c1)[C@@H]1CC[NH2+]C1 ZINC000071315025 176121607 /nfs/dbraw/zinc/12/16/07/176121607.db2.gz IZEWFOILLRIWQE-GXTWGEPZSA-N 1 0 250.390 2.038 10 0 CEAERO CCCN(Cc1nnc(-c2ccccc2)o1)[C@@H]1CC[NH2+]C1 ZINC000071331878 176125259 /nfs/dbraw/zinc/12/52/59/176125259.db2.gz GAAKIYCYAYJSFG-CQSZACIVSA-N 1 0 286.379 2.311 10 0 CEAERO CCCN(c1ccc(Cl)cc1C(N)=O)[C@@H]1CC[NH2+]C1 ZINC000071332583 176125509 /nfs/dbraw/zinc/12/55/09/176125509.db2.gz RCKJLXIBIPXYHJ-LLVKDONJSA-N 1 0 281.787 2.017 10 0 CEAERO CC(C)C[C@H](CN(C)C)[NH2+]C1CN(C(=O)OC(C)(C)C)C1 ZINC000071335725 176127073 /nfs/dbraw/zinc/12/70/73/176127073.db2.gz LPAWJGJYRHHDMJ-CYBMUJFWSA-N 1 0 299.459 2.172 10 0 CEAERO Cc1cccnc1C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000071339574 176129718 /nfs/dbraw/zinc/12/97/18/176129718.db2.gz TYCMDRQPXNCGTG-UHFFFAOYSA-N 1 0 270.332 2.451 10 0 CEAERO CCOCCN1C[C@H](C(C)C)[NH2+]C[C@@]1(C)C1CC1 ZINC000071342114 176130240 /nfs/dbraw/zinc/13/02/40/176130240.db2.gz XFTFQJHYKWVNLP-CABCVRRESA-N 1 0 254.418 2.121 10 0 CEAERO CCC[C@@H]1C[NH2+]C(C)(C)CN1Cc1cccc(OC)n1 ZINC000071342368 176130284 /nfs/dbraw/zinc/13/02/84/176130284.db2.gz ILXMBENQNUCMPR-CQSZACIVSA-N 1 0 277.412 2.443 10 0 CEAERO Cc1cccnc1CN1CC[C@H](C[NH2+]CC(C)C)C1 ZINC000071344220 176131164 /nfs/dbraw/zinc/13/11/64/176131164.db2.gz PGIKQMYDZATRFY-OAHLLOKOSA-N 1 0 261.413 2.458 10 0 CEAERO CC[C@H]1CN(Cc2ccn(C(C)C)n2)[C@H](C2CC2)C[NH2+]1 ZINC000071344135 176131210 /nfs/dbraw/zinc/13/12/10/176131210.db2.gz LJNMMHRPJHGZQX-HOCLYGCPSA-N 1 0 276.428 2.426 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1CCOCCOC ZINC000071346739 176131899 /nfs/dbraw/zinc/13/18/99/176131899.db2.gz AVVMEMOQRIUJFE-HUUCEWRRSA-N 1 0 286.460 2.138 10 0 CEAERO CC[C@H]1CN(Cc2cccc(OC)n2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000071345635 176132032 /nfs/dbraw/zinc/13/20/32/176132032.db2.gz LDFJEHPAOXVWMP-WMLDXEAASA-N 1 0 289.423 2.443 10 0 CEAERO CC[C@@H]1CN(CCn2ccnc2C)[C@@](C)(C2CC2)C[NH2+]1 ZINC000071345622 176132153 /nfs/dbraw/zinc/13/21/53/176132153.db2.gz DUKNPDOFRNBWKH-HZPDHXFCSA-N 1 0 276.428 2.044 10 0 CEAERO CC[C@H]1C[NH2+][C@H](Cc2ccccc2)CN1[C@@H]1CCOC1 ZINC000071352762 176135341 /nfs/dbraw/zinc/13/53/41/176135341.db2.gz RNYKVBPRJZUBRK-IXDOHACOSA-N 1 0 274.408 2.070 10 0 CEAERO CCOCCN1C[C@H](Cc2ccccc2)[NH2+]C[C@@H]1CC ZINC000071352694 176135556 /nfs/dbraw/zinc/13/55/56/176135556.db2.gz ZSQRLCXFMSLOSN-IRXDYDNUSA-N 1 0 276.424 2.318 10 0 CEAERO CC[C@H]1C[NH2+][C@H](Cc2ccccc2)CN1C[C@@H]1CCCO1 ZINC000071352750 176135806 /nfs/dbraw/zinc/13/58/06/176135806.db2.gz KSCHALJMRBODPV-SQNIBIBYSA-N 1 0 288.435 2.461 10 0 CEAERO C[C@]1(C2CC2)CNC2(CCCC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000071359215 176137827 /nfs/dbraw/zinc/13/78/27/176137827.db2.gz UXKWAOURHMJUKY-GOEBONIOSA-N 1 0 278.440 2.410 10 0 CEAERO CCOc1ccc(CSc2nnc(C[NH3+])n2CC)cc1 ZINC000071374900 176140730 /nfs/dbraw/zinc/14/07/30/176140730.db2.gz BYIXLOQEOSPMGQ-UHFFFAOYSA-N 1 0 292.408 2.448 10 0 CEAERO CC[N@H+](CCn1ccc(N)n1)Cc1cccs1 ZINC000071378027 176142727 /nfs/dbraw/zinc/14/27/27/176142727.db2.gz WWKPOWBGBFNRNM-UHFFFAOYSA-N 1 0 250.371 2.049 10 0 CEAERO CC[C@@H]1CCC[C@@H]([NH+]2CCN(CC(C)(C)O)CC2)C1 ZINC000071382256 176145743 /nfs/dbraw/zinc/14/57/43/176145743.db2.gz YFLMLAQMBIOVSL-HUUCEWRRSA-N 1 0 268.445 2.344 10 0 CEAERO Nc1ccc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000071395962 176149871 /nfs/dbraw/zinc/14/98/71/176149871.db2.gz ZUQCEQHGMLIOKO-SNVBAGLBSA-N 1 0 293.798 2.136 10 0 CEAERO O=c1cc(-c2ccccc2)nc([C@@H]2CCCC[NH2+]2)[nH]1 ZINC000071396342 176150046 /nfs/dbraw/zinc/15/00/46/176150046.db2.gz ADJLOJUEZGJZGB-LBPRGKRZSA-N 1 0 255.321 2.252 10 0 CEAERO CCCS(=O)(=O)c1ccccc1N[C@H]1CCC[NH2+]C1 ZINC000071397779 176151286 /nfs/dbraw/zinc/15/12/86/176151286.db2.gz BTKFURRWVADVKE-LBPRGKRZSA-N 1 0 282.409 2.034 10 0 CEAERO [NH3+][C@H](CCCN1CCn2ccnc2C1)c1ccccc1 ZINC000071402087 176154128 /nfs/dbraw/zinc/15/41/28/176154128.db2.gz RKCPKTUCQQQHLC-OAHLLOKOSA-N 1 0 270.380 2.179 10 0 CEAERO CC[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(C)cc1C[NH3+] ZINC000071403372 176154723 /nfs/dbraw/zinc/15/47/23/176154723.db2.gz SNDDMPUXBSGOTH-VXGBXAGGSA-N 1 0 264.369 2.136 10 0 CEAERO CC[NH2+]Cc1cc(C)ccc1OCC(=O)NC(C)C ZINC000071406111 176155786 /nfs/dbraw/zinc/15/57/86/176155786.db2.gz ZDAGIRFFVHRKBT-UHFFFAOYSA-N 1 0 264.369 2.008 10 0 CEAERO Cc1ccc(OC[C@H]2CNC(=O)O2)c(C[NH2+]CC(C)C)c1 ZINC000071407264 176156495 /nfs/dbraw/zinc/15/64/95/176156495.db2.gz JPTODBLEDUMUKK-CQSZACIVSA-N 1 0 292.379 2.228 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc(C)ccc1OCc1nnc(C)n1C ZINC000071412309 176157496 /nfs/dbraw/zinc/15/74/96/176157496.db2.gz ODTZYEPQRHQZKF-CQSZACIVSA-N 1 0 288.395 2.291 10 0 CEAERO C[NH2+][C@H](CCO)c1ccc(Br)s1 ZINC000071571741 176197451 /nfs/dbraw/zinc/19/74/51/176197451.db2.gz XYIQBIFYAZLDPN-ZCFIWIBFSA-N 1 0 250.161 2.154 10 0 CEAERO COc1ccc([C@@H](C[NH3+])N2CCCCC2)cc1F ZINC000071574202 176200887 /nfs/dbraw/zinc/20/08/87/176200887.db2.gz IFHCUPHURCCKBU-CYBMUJFWSA-N 1 0 252.333 2.320 10 0 CEAERO CC(C)[C@H]([NH3+])[C@H](O)c1ccccc1Br ZINC000071583650 176208300 /nfs/dbraw/zinc/20/83/00/176208300.db2.gz OMXIQOUMTLIIMY-WDEREUQCSA-N 1 0 258.159 2.466 10 0 CEAERO C[NH2+][C@@H](C(C)C)[C@H](O)c1cc(OC)c(C)cc1OC ZINC000071599196 176223393 /nfs/dbraw/zinc/22/33/93/176223393.db2.gz SSPHWIBBJSQMFZ-LSDHHAIUSA-N 1 0 267.369 2.290 10 0 CEAERO C[C@@](O)(c1ccc2c(c1)OCCCO2)[C@@H]1CCC[NH2+]C1 ZINC000071628231 176235862 /nfs/dbraw/zinc/23/58/62/176235862.db2.gz JXXFMDQTVFADFD-CZUORRHYSA-N 1 0 277.364 2.055 10 0 CEAERO CO[C@H](CN1CC[N@@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000659902859 415768271 /nfs/dbraw/zinc/76/82/71/415768271.db2.gz ZYVFHAGSKGUWFM-HZPDHXFCSA-N 1 0 266.429 2.362 10 0 CEAERO COc1ccccc1[C@@H]1Cc2n[nH]c(C)c2[C@@H]([NH3+])C1 ZINC000072415409 176399642 /nfs/dbraw/zinc/39/96/42/176399642.db2.gz KBBSFKPJPQLFIO-JQWIXIFHSA-N 1 0 257.337 2.457 10 0 CEAERO Fc1cccnc1N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656609708 415784097 /nfs/dbraw/zinc/78/40/97/415784097.db2.gz WRQAFMHVXJWOOS-ZDUSSCGKSA-N 1 0 263.360 2.437 10 0 CEAERO CCc1nsc(N2CCC([C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000656608909 415784438 /nfs/dbraw/zinc/78/44/38/415784438.db2.gz OQBVZRZBAFQFJI-GFCCVEGCSA-N 1 0 280.441 2.317 10 0 CEAERO Clc1cnc(N2CCC[C@@H](C3CC[NH2+]CC3)C2)nc1 ZINC000656608573 415785109 /nfs/dbraw/zinc/78/51/09/415785109.db2.gz LFLRUNPYNYXJBO-GFCCVEGCSA-N 1 0 280.803 2.346 10 0 CEAERO [NH3+]CC12CC(C1)CN2c1ccc(C(F)(F)F)cn1 ZINC000656611679 415787394 /nfs/dbraw/zinc/78/73/94/415787394.db2.gz FSPRFYSXAFIFRC-UHFFFAOYSA-N 1 0 257.259 2.028 10 0 CEAERO CO[C@H](C[N@@H+]1C[C@@H]2CCCCN2C[C@H]1C)C1CCC1 ZINC000659935789 415794523 /nfs/dbraw/zinc/79/45/23/415794523.db2.gz NCKQHGIFTKACDH-VNQPRFMTSA-N 1 0 266.429 2.360 10 0 CEAERO Cc1cnc([C@H](C)NC(=O)c2cc3c(s2)CC[NH2+]C3)o1 ZINC000662514383 415871310 /nfs/dbraw/zinc/87/13/10/415871310.db2.gz NCRLOEFNPOZORV-VIFPVBQESA-N 1 0 291.376 2.181 10 0 CEAERO CC1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[NH2+]1 ZINC000662735901 415948522 /nfs/dbraw/zinc/94/85/22/415948522.db2.gz ZRZONXADQOTTMI-CPIKKWJDSA-N 1 0 250.386 2.308 10 0 CEAERO C[NH2+]CC(=O)N[C@@H](C)c1ccc(OC(C)C)c(C)c1 ZINC000076368881 177005999 /nfs/dbraw/zinc/00/59/99/177005999.db2.gz KDTUEJPPICCPOD-LBPRGKRZSA-N 1 0 264.369 2.179 10 0 CEAERO COCC(C)(C)[NH2+]C[C@@H](O)c1ccccc1Cl ZINC000076494488 177028752 /nfs/dbraw/zinc/02/87/52/177028752.db2.gz YOOBQMGOMBNANF-GFCCVEGCSA-N 1 0 257.761 2.388 10 0 CEAERO CC[C@H](C)NC(=O)C[C@H](C[NH3+])c1cccc(F)c1 ZINC000076656647 177045806 /nfs/dbraw/zinc/04/58/06/177045806.db2.gz MZNIVYMNAWMKTK-CMPLNLGQSA-N 1 0 252.333 2.173 10 0 CEAERO COc1ccc(OC[C@@H](C[NH3+])c2ccccn2)cc1 ZINC000076666086 177050816 /nfs/dbraw/zinc/05/08/16/177050816.db2.gz YYBMMKGBGACOHA-GFCCVEGCSA-N 1 0 258.321 2.212 10 0 CEAERO CC(=O)c1ccc(NC(=O)C[C@@H](C[NH3+])C(C)C)cc1 ZINC000076674804 177055782 /nfs/dbraw/zinc/05/57/82/177055782.db2.gz ZYMRDIUDZSGJFW-ZDUSSCGKSA-N 1 0 262.353 2.449 10 0 CEAERO CC[C@H](C)N(Cc1cc(C)ccc1OC)C(=O)C[NH3+] ZINC000076680176 177058057 /nfs/dbraw/zinc/05/80/57/177058057.db2.gz UBNXJVSSLCXNQP-LBPRGKRZSA-N 1 0 264.369 2.089 10 0 CEAERO C[C@@H](CC[NH3+])C(=O)Nc1ccc(Br)cc1 ZINC000076710898 177067619 /nfs/dbraw/zinc/06/76/19/177067619.db2.gz QFAQSLRYNSAWDP-QMMMGPOBSA-N 1 0 271.158 2.373 10 0 CEAERO CN(C[C@H](O)CC[NH3+])c1ccccc1C(C)(C)C ZINC000077432358 177268154 /nfs/dbraw/zinc/26/81/54/177268154.db2.gz RAEDSYMZQJKPDF-GFCCVEGCSA-N 1 0 250.386 2.130 10 0 CEAERO Cn1c(C[NH2+][C@](C)(CO)C2CCCCC2)nnc1C1CC1 ZINC000077655751 177291630 /nfs/dbraw/zinc/29/16/30/177291630.db2.gz GSNPDGKXXJOIHU-MRXNPFEDSA-N 1 0 292.427 2.113 10 0 CEAERO CC[NH2+]C[C@@H](O)c1ccc(OC)c(OC)c1Cl ZINC000078625979 177361453 /nfs/dbraw/zinc/36/14/53/177361453.db2.gz SIWXNSBYFHQUEQ-SECBINFHSA-N 1 0 259.733 2.000 10 0 CEAERO CCO[C@H]1CCCN(C(=O)CC[C@H](CC)CC[NH3+])C1 ZINC000079212554 177448103 /nfs/dbraw/zinc/44/81/03/177448103.db2.gz CMVDPQFNOLIDNZ-KBPBESRZSA-N 1 0 270.417 2.169 10 0 CEAERO CCC[C@@H](CC[NH3+])CCc1nnc2ccc(C)nn21 ZINC000079231918 177451922 /nfs/dbraw/zinc/45/19/22/177451922.db2.gz ISTHGHNMMVOPGB-GFCCVEGCSA-N 1 0 261.373 2.130 10 0 CEAERO CCC[C@@H](CC[NH3+])CCC(=O)NCCc1nccs1 ZINC000079242213 177454708 /nfs/dbraw/zinc/45/47/08/177454708.db2.gz HCHJGFDZUVPGED-GFCCVEGCSA-N 1 0 283.441 2.347 10 0 CEAERO CCCCN(CCO)C(=O)CC[C@H](CC[NH3+])C(C)C ZINC000079276789 177461068 /nfs/dbraw/zinc/46/10/68/177461068.db2.gz PQEOWPRTMYLFNO-CQSZACIVSA-N 1 0 272.433 2.009 10 0 CEAERO Cc1ccc2nnc(CC[C@H](CC[NH3+])C(C)(C)C)n2n1 ZINC000079284963 177463515 /nfs/dbraw/zinc/46/35/15/177463515.db2.gz PJUNRGQTCKVQOV-GFCCVEGCSA-N 1 0 275.400 2.376 10 0 CEAERO CC(C)(C)[C@H](CC[NH3+])CCC(=O)N1CCC[C@H](CO)C1 ZINC000079290353 177464512 /nfs/dbraw/zinc/46/45/12/177464512.db2.gz KZSANXZJQDERJF-KBPBESRZSA-N 1 0 284.444 2.009 10 0 CEAERO C[C@]1(C(=O)N2CCC[C@@H]2Cc2ccccc2)CCC[NH2+]1 ZINC000079516874 177512646 /nfs/dbraw/zinc/51/26/46/177512646.db2.gz VKBMYGNZYUWVCC-NVXWUHKLSA-N 1 0 272.392 2.362 10 0 CEAERO CC[C@@H]1CO[C@@H](C)C[N@@H+]1[C@@H]1CC(C)(C)CC[C@@H]1O ZINC000079658494 177531997 /nfs/dbraw/zinc/53/19/97/177531997.db2.gz PTDVWOLCHAOKEU-DGAVXFQQSA-N 1 0 255.402 2.425 10 0 CEAERO COCC1CC[NH+]([C@H]2CC(C)(C)CC[C@@H]2O)CC1 ZINC000079659415 177532371 /nfs/dbraw/zinc/53/23/71/177532371.db2.gz ZHMMEAODVUBWBN-KBPBESRZSA-N 1 0 255.402 2.284 10 0 CEAERO CCC[C@@H](COC)[NH2+]C[C@H](O)CO[C@@H]1CCCC[C@@H]1C ZINC000079743664 177549068 /nfs/dbraw/zinc/54/90/68/177549068.db2.gz NSBORBFTZGGRBP-YHUYYLMFSA-N 1 0 287.444 2.347 10 0 CEAERO CN(CCC(N)=[NH2+])C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000079777869 177557103 /nfs/dbraw/zinc/55/71/03/177557103.db2.gz XNLUAHZNBVEPLI-UHFFFAOYSA-N 1 0 288.273 2.495 10 0 CEAERO COc1ccc(Br)cc1Cn1nccc1C[NH3+] ZINC000080052406 177603368 /nfs/dbraw/zinc/60/33/68/177603368.db2.gz LCDYUULNSXLRSH-UHFFFAOYSA-N 1 0 296.168 2.161 10 0 CEAERO Cc1nn(Cc2cnn(C)c2)c(C)c1CC[NH2+]CC(C)C ZINC000080065090 177604052 /nfs/dbraw/zinc/60/40/52/177604052.db2.gz RFRCLEAQLCKYBH-UHFFFAOYSA-N 1 0 289.427 2.070 10 0 CEAERO CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC000080148727 177614740 /nfs/dbraw/zinc/61/47/40/177614740.db2.gz VQDAAGJUZGKKLF-XGWLTEMNSA-N 1 0 294.439 2.086 10 0 CEAERO O=C([C@@H]1C[C@H]2C[C@H]2C1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000313358436 419478833 /nfs/dbraw/zinc/47/88/33/419478833.db2.gz QHBLSELGKNYDNQ-FZKCQIBNSA-N 1 0 270.376 2.206 10 0 CEAERO [NH3+][C@H]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC000135211341 419436004 /nfs/dbraw/zinc/43/60/04/419436004.db2.gz HOECSACDLSXNHO-AXFHLTTASA-N 1 0 278.318 2.305 10 0 CEAERO Cc1cnc([C@H](C)NC(=O)C2CCC([NH3+])CC2)s1 ZINC000135291073 419440151 /nfs/dbraw/zinc/44/01/51/419440151.db2.gz XKKIWNFKPXQXOL-WHXUTIOJSA-N 1 0 267.398 2.146 10 0 CEAERO CCOc1cccc(CNC(=O)C[C@H]([NH3+])C(C)C)c1 ZINC000136364539 419443787 /nfs/dbraw/zinc/44/37/87/419443787.db2.gz UKZUTBBYJLIARD-AWEZNQCLSA-N 1 0 264.369 2.075 10 0 CEAERO COCCOCc1cccc(NC(=O)C[C@H]([NH3+])C(C)C)c1 ZINC000136367315 419443896 /nfs/dbraw/zinc/44/38/96/419443896.db2.gz JWTYIMRHPXHYKN-HNNXBMFYSA-N 1 0 294.395 2.162 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)Nc1cccc(-n2ccnc2)c1 ZINC000136327183 419443913 /nfs/dbraw/zinc/44/39/13/419443913.db2.gz DQFRVFUVEBGYSJ-CQSZACIVSA-N 1 0 272.352 2.184 10 0 CEAERO CCOc1cccc(CNC(=O)C[C@@H]([NH3+])C(C)C)c1 ZINC000136364565 419444100 /nfs/dbraw/zinc/44/41/00/419444100.db2.gz UKZUTBBYJLIARD-CQSZACIVSA-N 1 0 264.369 2.075 10 0 CEAERO CCNC(=O)c1ccc(C)c(NC(=O)C[C@@H]([NH3+])C(C)C)c1 ZINC000136362412 419444538 /nfs/dbraw/zinc/44/45/38/419444538.db2.gz UUTCZAIVLPGCFR-CYBMUJFWSA-N 1 0 291.395 2.057 10 0 CEAERO COc1ccc(F)cc1[C@@H](C)NC(=O)C[C@H]([NH3+])C(C)C ZINC000136358301 419444559 /nfs/dbraw/zinc/44/45/59/419444559.db2.gz UWNDXGDTZXADAW-MFKMUULPSA-N 1 0 282.359 2.385 10 0 CEAERO COc1ccccc1C[C@H](C)N(C)C(=O)C[C@@H]([NH3+])C(C)C ZINC000136477079 419446469 /nfs/dbraw/zinc/44/64/69/419446469.db2.gz WYAAGAGYHBIUPF-DZGCQCFKSA-N 1 0 292.423 2.458 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)NCC(C)(C)c1ccccc1 ZINC000136410379 419448063 /nfs/dbraw/zinc/44/80/63/419448063.db2.gz YFRHOTMUSFHGPA-AWEZNQCLSA-N 1 0 262.397 2.454 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)NCCc1cccc(Cl)c1 ZINC000136431205 419448361 /nfs/dbraw/zinc/44/83/61/419448361.db2.gz VKIHNPUECDEMIQ-CYBMUJFWSA-N 1 0 268.788 2.372 10 0 CEAERO COc1ccc(Br)cc1N1CC[NH+](C)CC1 ZINC000201295438 419457806 /nfs/dbraw/zinc/45/78/06/419457806.db2.gz UNZGXTWUCRPDIV-UHFFFAOYSA-N 1 0 285.185 2.210 10 0 CEAERO C[C@@H]1CCN(c2ncccc2Br)[C@H](C[NH3+])C1 ZINC000261532399 287608213 /nfs/dbraw/zinc/60/82/13/287608213.db2.gz AVABBXXTFJRIFF-ZJUUUORDSA-N 1 0 284.201 2.408 10 0 CEAERO O[C@H](C[NH2+]CCc1cccs1)COCc1ccco1 ZINC000037880275 270226050 /nfs/dbraw/zinc/22/60/50/270226050.db2.gz ITURUIKWRSBJLB-GFCCVEGCSA-N 1 0 281.377 2.051 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]Cc2nccs2)C12CCOCC2 ZINC000186263063 270249074 /nfs/dbraw/zinc/24/90/74/270249074.db2.gz ZRIBAPRPYLIAOR-NWDGAFQWSA-N 1 0 282.409 2.207 10 0 CEAERO C[C@H](C1CC1)[NH+](C[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000192939511 270281712 /nfs/dbraw/zinc/28/17/12/270281712.db2.gz MLVGVTSJSAVVOM-SNPRPXQTSA-N 1 0 253.386 2.445 10 0 CEAERO CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC(=O)N(C)c2ccccc21 ZINC000224437408 270308977 /nfs/dbraw/zinc/30/89/77/270308977.db2.gz STVAQOBOIWYIJK-UMVBOHGHSA-N 1 0 274.364 2.251 10 0 CEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000393036574 270341747 /nfs/dbraw/zinc/34/17/47/270341747.db2.gz XXTGODHYNPXQQN-MMWGEVLESA-N 1 0 278.318 2.364 10 0 CEAERO CCCCN(CCCC)C(=O)C[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000395159872 270345749 /nfs/dbraw/zinc/34/57/49/270345749.db2.gz MZSVWKUOLCIUHI-LSDHHAIUSA-N 1 0 284.444 2.260 10 0 CEAERO CC(=O)Nc1cccc([C@H](C)N[C@H]2CCC[NH2+][C@H]2C)c1 ZINC000396531981 270349744 /nfs/dbraw/zinc/34/97/44/270349744.db2.gz HPRNFAXJTPWZOM-MKBNYLNASA-N 1 0 275.396 2.436 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)[C@H]1CC1(C)C ZINC000397786032 270355196 /nfs/dbraw/zinc/35/51/96/270355196.db2.gz PGOWBCFWLVWYQA-BFHYXJOUSA-N 1 0 274.412 2.470 10 0 CEAERO Cc1ncsc1CC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398707131 270361357 /nfs/dbraw/zinc/36/13/57/270361357.db2.gz BIDJGHXCJVBXHS-YNEHKIRRSA-N 1 0 266.410 2.087 10 0 CEAERO O[C@@H]1CC[C@H]2C[N@H+](Cc3nc4ccccc4o3)C[C@H]2C1 ZINC000399018292 270366180 /nfs/dbraw/zinc/36/61/80/270366180.db2.gz UGLIEFGULPDIJN-YNEHKIRRSA-N 1 0 272.348 2.421 10 0 CEAERO C[C@H]1CC[C@@H](O)C[N@@H+]1CCCOCc1ccccc1 ZINC000399220876 270367468 /nfs/dbraw/zinc/36/74/68/270367468.db2.gz VWXPPESHEBPMAX-GOEBONIOSA-N 1 0 263.381 2.439 10 0 CEAERO COc1ccc(OC)c(C[N@@H+]2C[C@H](O)CC[C@@H]2C)c1 ZINC000399240505 270368573 /nfs/dbraw/zinc/36/85/73/270368573.db2.gz IOOHPBBKFHHPGK-WCQYABFASA-N 1 0 265.353 2.049 10 0 CEAERO COCc1cccc2sc(NC(=O)C[C@@H](C)[NH3+])nc21 ZINC000261736881 274053556 /nfs/dbraw/zinc/05/35/56/274053556.db2.gz IAOSWRQQDPOVDQ-MRVPVSSYSA-N 1 0 279.365 2.119 10 0 CEAERO C[C@@H]1CN(c2cc(C(F)(F)F)ccn2)[C@H](C)C[NH2+]1 ZINC000090804057 274361723 /nfs/dbraw/zinc/36/17/23/274361723.db2.gz XYYLWWKVDLLTNM-RKDXNWHRSA-N 1 0 259.275 2.287 10 0 CEAERO Cc1cc(N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ncc1Br ZINC000261558438 274713338 /nfs/dbraw/zinc/71/33/38/274713338.db2.gz SJSADYZBQKUWKC-UMNHJUIQSA-N 1 0 296.212 2.326 10 0 CEAERO O=C(C[C@H]1CSCC[NH2+]1)N[C@H]1CCCc2ccccc21 ZINC000091134577 274977860 /nfs/dbraw/zinc/97/78/60/274977860.db2.gz CAFHXVBNTHDEQR-ZFWWWQNUSA-N 1 0 290.432 2.275 10 0 CEAERO c1ccc2nc(N3CC[C@@H]4[NH2+]CC[C@H]4C3)ccc2c1 ZINC000261582971 275072187 /nfs/dbraw/zinc/07/21/87/275072187.db2.gz HAAHOJONUGCOCH-KBPBESRZSA-N 1 0 253.349 2.423 10 0 CEAERO Brc1cccnc1N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261586282 275375662 /nfs/dbraw/zinc/37/56/62/275375662.db2.gz QYUCSGNWUGYMLJ-KOLCDFICSA-N 1 0 282.185 2.032 10 0 CEAERO CC(C)c1ccc(-c2nc([C@@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263203997 276047905 /nfs/dbraw/zinc/04/79/05/276047905.db2.gz JMTKKHIPSMWQEV-AWEZNQCLSA-N 1 0 286.379 2.436 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cc(C)cc(C)n2)C1 ZINC000184227282 276178244 /nfs/dbraw/zinc/17/82/44/276178244.db2.gz PHJRDEZEZQWXBM-ZDUSSCGKSA-N 1 0 276.384 2.304 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)Nc1ccccc1 ZINC000245465006 276371027 /nfs/dbraw/zinc/37/10/27/276371027.db2.gz IGASTTOZIXNEAZ-GDBMZVCRSA-N 1 0 289.423 2.430 10 0 CEAERO CCN1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])c2ccccc21 ZINC000261718962 276381246 /nfs/dbraw/zinc/38/12/46/276381246.db2.gz JWAGNXOAUDNEJU-ZIAGYGMSSA-N 1 0 287.407 2.235 10 0 CEAERO CCc1cnc(-c2cc3c(c(F)c2)O[C@H](C[NH3+])C3)nc1 ZINC000067956413 276696628 /nfs/dbraw/zinc/69/66/28/276696628.db2.gz DHXPFOOGEPSISU-LBPRGKRZSA-N 1 0 273.311 2.107 10 0 CEAERO CN1C(=O)C[C@@H]([NH3+])[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000062208845 277011738 /nfs/dbraw/zinc/01/17/38/277011738.db2.gz ZTQYNKILRPFDCR-MWLCHTKSSA-N 1 0 259.136 2.224 10 0 CEAERO CC(=O)c1ccc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1 ZINC000113444759 277109354 /nfs/dbraw/zinc/10/93/54/277109354.db2.gz QBUKMMNVDSEHRL-BLLLJJGKSA-N 1 0 286.375 2.198 10 0 CEAERO C[N@@H+]1CCOCC12CCN(c1ccccc1F)CC2 ZINC000096090038 277117077 /nfs/dbraw/zinc/11/70/77/277117077.db2.gz QIQJQBBRGQLUEF-UHFFFAOYSA-N 1 0 264.344 2.127 10 0 CEAERO CC(C)(C)OC(=O)CC[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000228962096 277176058 /nfs/dbraw/zinc/17/60/58/277176058.db2.gz ZSXNFZFSCUGYIM-OLZOCXBDSA-N 1 0 269.385 2.362 10 0 CEAERO C[NH2+]C1CCN(c2nc3ccccc3nc2Cl)CC1 ZINC000095071540 277263721 /nfs/dbraw/zinc/26/37/21/277263721.db2.gz QZZVYTWGFCRMRE-UHFFFAOYSA-N 1 0 276.771 2.471 10 0 CEAERO CC(C)(CNC(=O)C[C@@H]1CCC[C@H]1[NH3+])Oc1ccccc1 ZINC000261771313 277300165 /nfs/dbraw/zinc/30/01/65/277300165.db2.gz OJUVMYDBDYPRGN-DZGCQCFKSA-N 1 0 290.407 2.478 10 0 CEAERO CC(C)C1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)CC1 ZINC000261961562 277337867 /nfs/dbraw/zinc/33/78/67/277337867.db2.gz PPWVGXYCHKIEFN-RBSFLKMASA-N 1 0 266.429 2.169 10 0 CEAERO COc1cc2c(c(OC)c1OC)C[NH2+]CC2(C)C ZINC000057538634 277390813 /nfs/dbraw/zinc/39/08/13/277390813.db2.gz VVNWCSXTEFABGZ-UHFFFAOYSA-N 1 0 251.326 2.093 10 0 CEAERO COc1ccc2c(c1)CCC[C@H]2NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000262162312 277435619 /nfs/dbraw/zinc/43/56/19/277435619.db2.gz JHZZNEIGAQEZIN-MEDUHNTESA-N 1 0 288.391 2.044 10 0 CEAERO COc1nc2ccccc2nc1N[C@H]1CCCC[C@@H]1[NH3+] ZINC000095071698 277484160 /nfs/dbraw/zinc/48/41/60/277484160.db2.gz KCWGBCHUBKMRTO-QWRGUYRKSA-N 1 0 272.352 2.320 10 0 CEAERO C[C@@H](N[C@@H](C[NH+](C)C)c1ccccc1)c1nccn1C ZINC000070443585 277627711 /nfs/dbraw/zinc/62/77/11/277627711.db2.gz XAKWXXGSUXGNHE-HIFRSBDPSA-N 1 0 272.396 2.374 10 0 CEAERO C[C@@H]1CCN(c2ncccc2Br)[C@@H](C[NH3+])C1 ZINC000235386663 277760048 /nfs/dbraw/zinc/76/00/48/277760048.db2.gz AVABBXXTFJRIFF-NXEZZACHSA-N 1 0 284.201 2.408 10 0 CEAERO COc1c(C)cnc(C[NH2+][C@H](C)[C@@H]2CCCO2)c1C ZINC000035735736 277785876 /nfs/dbraw/zinc/78/58/76/277785876.db2.gz PFRALRBXFSZNRM-OCCSQVGLSA-N 1 0 264.369 2.364 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000094646692 278049084 /nfs/dbraw/zinc/04/90/84/278049084.db2.gz HRLDLOBQXHMJIR-DVMIWYLISA-N 1 0 276.424 2.460 10 0 CEAERO C[C@H](OC1CCCCCC1)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000237555871 278301223 /nfs/dbraw/zinc/30/12/23/278301223.db2.gz AVJAHNZMPKIUBA-KBPBESRZSA-N 1 0 282.428 2.454 10 0 CEAERO C[C@H]1CCN(C(=O)c2cccc3c2CCC3)[C@H](C[NH3+])C1 ZINC000261665928 278363709 /nfs/dbraw/zinc/36/37/09/278363709.db2.gz CKLJTUPXYHBSBF-JSGCOSHPSA-N 1 0 272.392 2.375 10 0 CEAERO CCC1(C[NH+]2CC3(C2)CCCOC3)CCOCC1 ZINC000334638357 278637557 /nfs/dbraw/zinc/63/75/57/278637557.db2.gz WLVRKRRBLHHFKQ-UHFFFAOYSA-N 1 0 253.386 2.306 10 0 CEAERO Cc1ccc(C)c(S(=O)(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])c1 ZINC000235629645 278798706 /nfs/dbraw/zinc/79/87/06/278798706.db2.gz LDNBXMLIPLKBKZ-GXTWGEPZSA-N 1 0 296.436 2.051 10 0 CEAERO CC(C)C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccccn1 ZINC000180597810 279003758 /nfs/dbraw/zinc/00/37/58/279003758.db2.gz QDYPTZIXCHKATH-DZGCQCFKSA-N 1 0 285.395 2.365 10 0 CEAERO Cc1csc(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)c1Cl ZINC000261587574 279039263 /nfs/dbraw/zinc/03/92/63/279039263.db2.gz RTFZWOZCMJAREA-HTQZYQBOSA-N 1 0 258.774 2.272 10 0 CEAERO CC[C@H](O)C[NH+]1CCN(C/C(C)=C/c2ccccc2)CC1 ZINC000123558445 288110566 /nfs/dbraw/zinc/11/05/66/288110566.db2.gz OKMSQYZLKDZUAB-QCUIPMNBSA-N 1 0 288.435 2.478 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccnn2C(C)(C)C)C1 ZINC000190531280 279294941 /nfs/dbraw/zinc/29/49/41/279294941.db2.gz PQURSAGXENSTJO-GFCCVEGCSA-N 1 0 293.415 2.244 10 0 CEAERO CC[C@@](C)(O)C[NH+]1CCN(C(=O)CCC2CCCC2)CC1 ZINC000123351994 279791149 /nfs/dbraw/zinc/79/11/49/279791149.db2.gz AAXUNJNOGOAUOT-QGZVFWFLSA-N 1 0 296.455 2.262 10 0 CEAERO C[C@H]1CN(Cc2cc(Cl)c3c(c2)OCCCO3)C[C@H]1[NH3+] ZINC000261637865 279865200 /nfs/dbraw/zinc/86/52/00/279865200.db2.gz IOFNVJHHSFYCKL-GXFFZTMASA-N 1 0 296.798 2.280 10 0 CEAERO CCC[C@H](C(=O)N[C@@H](C)c1nc(C)cs1)[NH+](C)C ZINC000131938044 279968386 /nfs/dbraw/zinc/96/83/86/279968386.db2.gz CKBMPCRRJAHXLD-WDEREUQCSA-N 1 0 269.414 2.359 10 0 CEAERO CCC[C@H](C(=O)NCCO[C@H]1CCCC[C@@H]1C)[NH+](C)C ZINC000136126998 280058409 /nfs/dbraw/zinc/05/84/09/280058409.db2.gz BOLUEAIXIUJQCW-ZNMIVQPWSA-N 1 0 284.444 2.428 10 0 CEAERO Cc1ncc(CN2CC[NH+](CC[C@@H]3CCCO3)CC2)s1 ZINC000189144469 280144142 /nfs/dbraw/zinc/14/41/42/280144142.db2.gz YWWZMSCLCBGESQ-AWEZNQCLSA-N 1 0 295.452 2.138 10 0 CEAERO C[C@]1(C(=O)N[C@@H]2CCCc3ccccc32)CC[NH2+]C1 ZINC000062891378 280147561 /nfs/dbraw/zinc/14/75/61/280147561.db2.gz OKLSMPAAAZJITA-ZBFHGGJFSA-N 1 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/nfs/dbraw/zinc/30/29/76/280302976.db2.gz KJRRRSXNUGCIOS-XHSDSOJGSA-N 1 0 287.407 2.136 10 0 CEAERO Cc1cc(Br)cnc1N1CCC([NH3+])CC1 ZINC000086708359 280310970 /nfs/dbraw/zinc/31/09/70/280310970.db2.gz QZPCKLCDLIMEQA-UHFFFAOYSA-N 1 0 270.174 2.080 10 0 CEAERO CCc1cccc(CC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000246839115 280311373 /nfs/dbraw/zinc/31/13/73/280311373.db2.gz VDISKHFSWYMJGO-RHSMWYFYSA-N 1 0 286.419 2.487 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccncc1Cl ZINC000246917810 280314048 /nfs/dbraw/zinc/31/40/48/280314048.db2.gz IUSYCHVAAJSSGG-AAEUAGOBSA-N 1 0 265.788 2.404 10 0 CEAERO C[C@H](NC(=O)[C@H](C)[N@H+](C)C[C@H]1CCOC1)c1ccccc1 ZINC000247081360 280320072 /nfs/dbraw/zinc/32/00/72/280320072.db2.gz PFKVPDOACGAUGO-SOUVJXGZSA-N 1 0 290.407 2.221 10 0 CEAERO CCOCC[N@@H+]1CCN(Cc2ccn(C(C)C)n2)C[C@H]1C ZINC000247261345 280324378 /nfs/dbraw/zinc/32/43/78/280324378.db2.gz YOZULQLDPYGCQP-OAHLLOKOSA-N 1 0 294.443 2.007 10 0 CEAERO Cc1ccc(CCC[N@H+]2CCN(C[C@H](C)O)[C@H](C)C2)cc1 ZINC000248445769 280347347 /nfs/dbraw/zinc/34/73/47/280347347.db2.gz GPZIPUAOCLVCQG-SJORKVTESA-N 1 0 290.451 2.315 10 0 CEAERO CC(=O)N[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[C@@H]2C)C1 ZINC000248483887 280349765 /nfs/dbraw/zinc/34/97/65/280349765.db2.gz JQEWTANGBLROCN-AEGPPILISA-N 1 0 252.402 2.413 10 0 CEAERO C[C@H](O)C[N@@H+]1CCN(Cc2sccc2Cl)C[C@@H]1C ZINC000248822858 280366215 /nfs/dbraw/zinc/36/62/15/280366215.db2.gz YJBHTTGIELXIFR-QWRGUYRKSA-N 1 0 288.844 2.288 10 0 CEAERO CCC1(CC)[C@H]([NH2+]C[C@@H](O)COC(C)(C)C)C[C@@H]1OC ZINC000248842476 280368039 /nfs/dbraw/zinc/36/80/39/280368039.db2.gz QGAFFGZQVOFFAK-MCIONIFRSA-N 1 0 287.444 2.346 10 0 CEAERO CCC1(CC)[C@H]([NH2+]C[C@@H](O)COC(C)(C)C)C[C@H]1OC ZINC000248842479 280368100 /nfs/dbraw/zinc/36/81/00/280368100.db2.gz QGAFFGZQVOFFAK-MGPQQGTHSA-N 1 0 287.444 2.346 10 0 CEAERO c1ccc2[nH]c(N3CCC4(C3)CC[NH2+]CC4)nc2c1 ZINC000335294182 280486720 /nfs/dbraw/zinc/48/67/20/280486720.db2.gz AZZCGWZICLGZFE-UHFFFAOYSA-N 1 0 256.353 2.143 10 0 CEAERO COc1c(C[NH2+]C[C@@H](C)CC(F)(F)F)c(C)nn1C ZINC000396900052 280677393 /nfs/dbraw/zinc/67/73/93/280677393.db2.gz CQFWTGKYTNHXMZ-QMMMGPOBSA-N 1 0 279.306 2.415 10 0 CEAERO Cc1ccc2c(c1)N(C(=O)[C@H](C)C1C[NH2+]C1)CCC2 ZINC000262559480 281076151 /nfs/dbraw/zinc/07/61/51/281076151.db2.gz QIWOPGPAGSREOP-GFCCVEGCSA-N 1 0 258.365 2.130 10 0 CEAERO Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)N1CCOCC1)CC2 ZINC000123445811 281119985 /nfs/dbraw/zinc/11/99/85/281119985.db2.gz BSBFNWCKFVJZLZ-WMLDXEAASA-N 1 0 274.408 2.293 10 0 CEAERO Cc1ccccc1[C@H](C)[NH2+][C@H](C)CS(C)(=O)=O ZINC000081899013 281383074 /nfs/dbraw/zinc/38/30/74/281383074.db2.gz KABJRTRDALLFHL-NEPJUHHUSA-N 1 0 255.383 2.079 10 0 CEAERO CCc1ccc([C@H](C)[NH2+]C[C@H](C)N2CCOCC2)o1 ZINC000123569520 281424067 /nfs/dbraw/zinc/42/40/67/281424067.db2.gz MZKNGCMLTMYHDP-STQMWFEESA-N 1 0 266.385 2.213 10 0 CEAERO Cc1ccnc(NC[C@@H]2CCC[NH2+]2)c1Br ZINC000235935099 281470032 /nfs/dbraw/zinc/47/00/32/281470032.db2.gz HAYONEQYTMOJFX-VIFPVBQESA-N 1 0 270.174 2.316 10 0 CEAERO C[C@@H]1CC[C@@H](C(=O)NC2CC[NH+](C3CCCCC3)CC2)O1 ZINC000159141607 289246599 /nfs/dbraw/zinc/24/65/99/289246599.db2.gz YDBNZXNEWNIXJC-CJNGLKHVSA-N 1 0 294.439 2.467 10 0 CEAERO COc1c(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)c(C)nn1C ZINC000403345164 289289776 /nfs/dbraw/zinc/28/97/76/289289776.db2.gz JUEMGDUBDBTTIM-FRRDWIJNSA-N 1 0 263.385 2.263 10 0 CEAERO c1sc2ccccc2c1CN1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404075474 289291320 /nfs/dbraw/zinc/29/13/20/289291320.db2.gz QNSXLGFXQQUCRV-GJZGRUSLSA-N 1 0 288.416 2.464 10 0 CEAERO COC[C@H](C)[NH2+]C[C@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000247497528 293034316 /nfs/dbraw/zinc/03/43/16/293034316.db2.gz WVKJXBSOOYXWCX-MELADBBJSA-N 1 0 298.452 2.134 10 0 CEAERO CO[C@@]1(C)C[C@@H](N(C)C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1(C)C ZINC000261801633 294138328 /nfs/dbraw/zinc/13/83/28/294138328.db2.gz RBFJYPFEZKWODU-JXFSHQFZSA-N 1 0 282.428 2.023 10 0 CEAERO [NH3+]CC1(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CCOCC1 ZINC000261878563 295221174 /nfs/dbraw/zinc/22/11/74/295221174.db2.gz DZSUDCFFPKGTEV-RBSFLKMASA-N 1 0 294.439 2.217 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000089454510 295271424 /nfs/dbraw/zinc/27/14/24/295271424.db2.gz RAUDTGNKXOPMSS-OUAUKWLOSA-N 1 0 278.318 2.162 10 0 CEAERO CC(C)(C)[C@H](O)C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000164026227 297461767 /nfs/dbraw/zinc/46/17/67/297461767.db2.gz JEFPCJLNUXJOMA-LLVKDONJSA-N 1 0 282.350 2.010 10 0 CEAERO C[C@@H]([NH3+])C[C@@H](C)Nc1ncccc1Br ZINC000165760794 297464351 /nfs/dbraw/zinc/46/43/51/297464351.db2.gz GBYGDSCGIIBBOI-HTQZYQBOSA-N 1 0 258.163 2.382 10 0 CEAERO C[C@H](C[NH2+][C@@H](C)c1ccccc1N(C)C)N1CCOCC1 ZINC000093941876 298779234 /nfs/dbraw/zinc/77/92/34/298779234.db2.gz BEGVBOGUUMLBIP-CABCVRRESA-N 1 0 291.439 2.124 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1(c2ccccc2)CC1 ZINC000113233845 300312427 /nfs/dbraw/zinc/31/24/27/300312427.db2.gz YTUCPHIMDTVKCZ-GOEBONIOSA-N 1 0 284.403 2.413 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]2CN(c3ccncc3Br)C[C@H]21 ZINC000229262746 303462369 /nfs/dbraw/zinc/46/23/69/303462369.db2.gz DTCZMJTZOZWVJY-CKYFFXLPSA-N 1 0 296.212 2.408 10 0 CEAERO Cc1c(NC(=O)N2CC[C@@H]([NH+](C)C)C2)cccc1N(C)C ZINC000180192684 312764243 /nfs/dbraw/zinc/76/42/43/312764243.db2.gz YHZKZUDGNZJSSO-CYBMUJFWSA-N 1 0 290.411 2.229 10 0 CEAERO CC(C)(C)[C@@H](O)C[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000324535512 312836637 /nfs/dbraw/zinc/83/66/37/312836637.db2.gz QJFMEELEOCEXHM-AWEZNQCLSA-N 1 0 265.401 2.495 10 0 CEAERO FC(F)(F)c1ccc(N2CC[C@]3(C2)CCC[NH2+]C3)nn1 ZINC000575974581 314228200 /nfs/dbraw/zinc/22/82/00/314228200.db2.gz SCKGFOXALPBTFE-GFCCVEGCSA-N 1 0 286.301 2.075 10 0 CEAERO Cc1cccc(CCN2C[C@@H]3CCCC[N@H+]3C[C@H]2C)n1 ZINC000576460712 314277695 /nfs/dbraw/zinc/27/76/95/314277695.db2.gz BIXZRSWHLWPBIO-WBVHZDCISA-N 1 0 273.424 2.491 10 0 CEAERO Cc1ccc(C(=O)N2CC[C@H]([NH+](C)C)C2)c(Cl)c1 ZINC000192345885 321793933 /nfs/dbraw/zinc/79/39/33/321793933.db2.gz OSPPSNNCTCDKJM-NSHDSACASA-N 1 0 266.772 2.425 10 0 CEAERO [NH3+]C[C@@H](Nc1ccnc2cccnc21)C1CCCCC1 ZINC000379183367 321824886 /nfs/dbraw/zinc/82/48/86/321824886.db2.gz UTOSEQALOMJEMT-OAHLLOKOSA-N 1 0 270.380 2.371 10 0 CEAERO CC(C)Oc1cncc(N[C@H](C)CCCC[NH3+])n1 ZINC000385157191 321858582 /nfs/dbraw/zinc/85/85/82/321858582.db2.gz BAWVNDCSYRNISS-LLVKDONJSA-N 1 0 252.362 2.193 10 0 CEAERO Cc1csc([C@H](C)N[C@@H](C)[C@@H]2CCC[NH2+]C2)n1 ZINC000581619079 322412167 /nfs/dbraw/zinc/41/21/67/322412167.db2.gz XTVMYGNWHXMAHM-SDDRHHMPSA-N 1 0 253.415 2.490 10 0 CEAERO COC[C@@H]1C[N@H+](C)C[C@]12CCN(Cc1ccccc1F)C2 ZINC000253612996 333186045 /nfs/dbraw/zinc/18/60/45/333186045.db2.gz ISSNBVRGKYBSCA-RDJZCZTQSA-N 1 0 292.398 2.226 10 0 CEAERO CC(C)C[NH2+]C[C@H](C(C)C)N1CCOC(C)(C)C1 ZINC000052481717 519745863 /nfs/dbraw/zinc/74/58/63/519745863.db2.gz VHEPPTGLQYOBQK-CQSZACIVSA-N 1 0 256.434 2.367 10 0 CEAERO CC(C)C[NH2+]Cc1nnnn1-c1ccc(F)c(Cl)c1 ZINC000054744985 519748911 /nfs/dbraw/zinc/74/89/11/519748911.db2.gz VZFTXCLCIKSDHY-UHFFFAOYSA-N 1 0 283.738 2.200 10 0 CEAERO CC(C)[C@@H](C)[N@H+](C)Cc1cccnc1C(N)=S ZINC000061659746 519791281 /nfs/dbraw/zinc/79/12/81/519791281.db2.gz JRRPWSIKVZOCQO-SNVBAGLBSA-N 1 0 251.399 2.192 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N(C)Cc1ccc(F)c(F)c1 ZINC000061235990 519931481 /nfs/dbraw/zinc/93/14/81/519931481.db2.gz HHZQEBOGABINJR-SNVBAGLBSA-N 1 0 270.323 2.169 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000061233023 519964239 /nfs/dbraw/zinc/96/42/39/519964239.db2.gz XCYILTSEAVTEFZ-WFASDCNBSA-N 1 0 260.381 2.500 10 0 CEAERO CC[NH2+]C[C@H](CCC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000052950783 519971359 /nfs/dbraw/zinc/97/13/59/519971359.db2.gz FKVLNAIHPMJMGX-QWHCGFSZSA-N 1 0 275.458 2.473 10 0 CEAERO CCC[NH2+]Cc1sc(N(CC)CCOC)nc1C ZINC000055000731 519975813 /nfs/dbraw/zinc/97/58/13/519975813.db2.gz HDUDFCNILXBIFI-UHFFFAOYSA-N 1 0 271.430 2.424 10 0 CEAERO CC[NH2+]Cc1cc(CN2CCO[C@H](CC)C2)c(C)o1 ZINC000052477367 519990242 /nfs/dbraw/zinc/99/02/42/519990242.db2.gz NECSHBUSUFYGPF-CQSZACIVSA-N 1 0 266.385 2.308 10 0 CEAERO CCOCCOCc1cc(C[NH2+]C(C)(C)C)no1 ZINC000052604211 519998543 /nfs/dbraw/zinc/99/85/43/519998543.db2.gz YMRCSRUJSHTLPZ-UHFFFAOYSA-N 1 0 256.346 2.116 10 0 CEAERO CCCN[C@@H](CC[NH+]1CCC(CC)CC1)C(=O)OC ZINC000062526512 520000113 /nfs/dbraw/zinc/00/01/13/520000113.db2.gz LEBRIWZQXPJRCF-AWEZNQCLSA-N 1 0 270.417 2.040 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccccc1Cl)CS(C)(=O)=O ZINC000052789209 520014580 /nfs/dbraw/zinc/01/45/80/520014580.db2.gz DOEBWZISFVGILX-LBPRGKRZSA-N 1 0 289.828 2.295 10 0 CEAERO CC[NH2+]Cc1nccn1CCc1scnc1C ZINC000051004834 520023679 /nfs/dbraw/zinc/02/36/79/520023679.db2.gz WOYXQTCGCKALQN-UHFFFAOYSA-N 1 0 250.371 2.000 10 0 CEAERO CC[NH2+]Cc1sc(N2CCC(OC)CC2)nc1CC ZINC000054997131 520032998 /nfs/dbraw/zinc/03/29/98/520032998.db2.gz JZYVEGLQCIHHMM-UHFFFAOYSA-N 1 0 283.441 2.430 10 0 CEAERO CCCN[C@@](C)(C[C@H](C)[NH+]1CCCCC1)C(=O)OC ZINC000068620191 520044504 /nfs/dbraw/zinc/04/45/04/520044504.db2.gz BCCDATOGYRNGMJ-ZFWWWQNUSA-N 1 0 270.417 2.182 10 0 CEAERO CCC[NH2+][C@H](CC)c1nnc(CCOCCC)o1 ZINC000061513224 520068661 /nfs/dbraw/zinc/06/86/61/520068661.db2.gz RPYTVYYPXKPDTC-LLVKDONJSA-N 1 0 255.362 2.489 10 0 CEAERO CC[NH2+][C@@H](C)CCOc1cc(OC)cc(OC)c1 ZINC000068967172 520073097 /nfs/dbraw/zinc/07/30/97/520073097.db2.gz NUNMWWKGZZLVNV-NSHDSACASA-N 1 0 253.342 2.471 10 0 CEAERO CCCN[C@H](CC[N@@H+]1CCCC(C)(C)C1)C(=O)OC ZINC000069517059 520073652 /nfs/dbraw/zinc/07/36/52/520073652.db2.gz GADCUHWMKNNHGC-CYBMUJFWSA-N 1 0 270.417 2.040 10 0 CEAERO CC[NH2+][C@@H](CS(C)(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000055228675 520102446 /nfs/dbraw/zinc/10/24/46/520102446.db2.gz GZPJDVKNMCHMFP-NSHDSACASA-N 1 0 295.326 2.401 10 0 CEAERO CC[NH2+][C@@H]1CCN(Cc2ccccc2C(F)(F)F)C1=O ZINC000061626903 520118017 /nfs/dbraw/zinc/11/80/17/520118017.db2.gz IUDOITHOUASHSK-GFCCVEGCSA-N 1 0 286.297 2.416 10 0 CEAERO CCC[NH2+][C@](CSCc1ccco1)(C(N)=O)C1CC1 ZINC000069184301 520124978 /nfs/dbraw/zinc/12/49/78/520124978.db2.gz QBTIHHRMWMYAEZ-AWEZNQCLSA-N 1 0 282.409 2.147 10 0 CEAERO CCCCC[N@H+](C)CC[C@H](NC(C)C)C(=O)OC ZINC000062447586 520149898 /nfs/dbraw/zinc/14/98/98/520149898.db2.gz UAIPQBMHQUOLIK-ZDUSSCGKSA-N 1 0 258.406 2.038 10 0 CEAERO CCCCC[N@H+](C)C[C@@](NCC)(C(=O)OCC)C1CC1 ZINC000069098419 520153066 /nfs/dbraw/zinc/15/30/66/520153066.db2.gz CNBNZKCHAUJFKE-INIZCTEOSA-N 1 0 284.444 2.430 10 0 CEAERO CCCCC[N@H+](C)C[C@](NCC)(C(=O)OCC)C1CC1 ZINC000069098414 520153359 /nfs/dbraw/zinc/15/33/59/520153359.db2.gz CNBNZKCHAUJFKE-MRXNPFEDSA-N 1 0 284.444 2.430 10 0 CEAERO CCN[C@](C)(C[C@@H](C)[NH+]1CCC(C)(C)CC1)C(=O)OC ZINC000068643234 520235166 /nfs/dbraw/zinc/23/51/66/520235166.db2.gz FMHUMNVCQVBTCB-CZUORRHYSA-N 1 0 284.444 2.428 10 0 CEAERO CCCOc1cccc(-c2nnc(CCC[NH3+])o2)c1 ZINC000061668435 520438397 /nfs/dbraw/zinc/43/83/97/520438397.db2.gz QIVOQWKSMOILKI-UHFFFAOYSA-N 1 0 261.325 2.417 10 0 CEAERO CCN(CC)CC[NH2+][C@@]1(CO)CCC[C@H](C(F)(F)F)C1 ZINC000069387518 520690585 /nfs/dbraw/zinc/69/05/85/520690585.db2.gz FROYUEZOYUDCDC-STQMWFEESA-N 1 0 296.377 2.401 10 0 CEAERO CCCC[C@H](C)NS(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000050890211 521150546 /nfs/dbraw/zinc/15/05/46/521150546.db2.gz XIWHLVAGSZPRGP-JTQLQIEISA-N 1 0 290.454 2.106 10 0 CEAERO CCC[C@H]([NH2+][C@@H](C)C(=O)NCCOC)c1cccs1 ZINC000049545053 521167715 /nfs/dbraw/zinc/16/77/15/521167715.db2.gz UYLWSVZEYPDBJL-RYUDHWBXSA-N 1 0 284.425 2.330 10 0 CEAERO CCOC(=O)[C@H](CC[N@@H+]1CCCC[C@@H]1C)NC(C)C ZINC000062440316 521244167 /nfs/dbraw/zinc/24/41/67/521244167.db2.gz LZPZLGCWDTYYFW-KBPBESRZSA-N 1 0 270.417 2.181 10 0 CEAERO CCN(Cc1cc(C[NH3+])oc1C)Cc1ccncc1 ZINC000052514992 521289829 /nfs/dbraw/zinc/28/98/29/521289829.db2.gz BFZUTBCVUOPARZ-UHFFFAOYSA-N 1 0 259.353 2.464 10 0 CEAERO CCOC(=O)[C@](N)(C[N@H+](CC(C)C)C(C)C)C1CC1 ZINC000069147077 521345386 /nfs/dbraw/zinc/34/53/86/521345386.db2.gz HZXDAIOMLBQUPP-HNNXBMFYSA-N 1 0 270.417 2.023 10 0 CEAERO CCOC1CCN(Cc2[nH+]c(NN)ccc2Cl)CC1 ZINC000061631129 521656854 /nfs/dbraw/zinc/65/68/54/521656854.db2.gz UZVQWQJRXFMUHV-UHFFFAOYSA-N 1 0 284.791 2.022 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N(Cc1ccc(OC)cc1)C1CC1 ZINC000061316961 521933139 /nfs/dbraw/zinc/93/31/39/521933139.db2.gz UCGDYPIWEWBJNU-UHFFFAOYSA-N 1 0 276.380 2.184 10 0 CEAERO C[NH2+]C(C)(C)C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000061300104 521937477 /nfs/dbraw/zinc/93/74/77/521937477.db2.gz RJKRIKHTUZTFKE-UHFFFAOYSA-N 1 0 274.286 2.320 10 0 CEAERO C[NH2+]C[C@H](OCCOC)c1cccc(Br)c1 ZINC000050495720 522076809 /nfs/dbraw/zinc/07/68/09/522076809.db2.gz WBWJGISFDBJMFL-LBPRGKRZSA-N 1 0 288.185 2.373 10 0 CEAERO C[NH2+]Cc1cc(C)nc(Cc2cc(F)cc(F)c2)n1 ZINC000054831025 522103573 /nfs/dbraw/zinc/10/35/73/522103573.db2.gz GIJGKIVQCJDLDP-UHFFFAOYSA-N 1 0 263.291 2.373 10 0 CEAERO C[NH2+]Cc1nccn1Cc1ccc(Br)cc1 ZINC000051004656 522155348 /nfs/dbraw/zinc/15/53/48/522155348.db2.gz TZXOSNQXSMWHGW-UHFFFAOYSA-N 1 0 280.169 2.413 10 0 CEAERO COC[C@@H](C)CNC(=O)Nc1cccc([C@H](C)[NH3+])c1 ZINC000045654130 522196027 /nfs/dbraw/zinc/19/60/27/522196027.db2.gz FAGIRBKUOUSPHF-QWRGUYRKSA-N 1 0 265.357 2.110 10 0 CEAERO COC(=O)c1cc(C[N@@H+]2CCC[C@@H]2CCCO)cs1 ZINC000411218527 533790727 /nfs/dbraw/zinc/79/07/27/533790727.db2.gz OOLXYNWMYHKUHA-GFCCVEGCSA-N 1 0 283.393 2.272 10 0 CEAERO C[NH2+][C@@H](C)c1cnc(N(C)CC(F)(F)F)s1 ZINC000054905079 522337546 /nfs/dbraw/zinc/33/75/46/522337546.db2.gz BNHAOFMSIHADAU-LURJTMIESA-N 1 0 253.293 2.422 10 0 CEAERO CCc1nc(N(C)[C@@H]2CCSC2)sc1C[NH3+] ZINC000054996976 522380603 /nfs/dbraw/zinc/38/06/03/522380603.db2.gz DLEFRUSRXALSDM-MRVPVSSYSA-N 1 0 257.428 2.106 10 0 CEAERO C[NH2+][C@@H]1CCN(c2ccc(F)c(C(F)(F)F)c2)C1=O ZINC000049648937 522394804 /nfs/dbraw/zinc/39/48/04/522394804.db2.gz POTOYDIIHGBZAL-SNVBAGLBSA-N 1 0 276.233 2.169 10 0 CEAERO C[NH2+][C@@H]1CCOC[C@@H]1N1CCC(C(C)(C)C)CC1 ZINC000050346754 522396364 /nfs/dbraw/zinc/39/63/64/522396364.db2.gz WAKLCINVKBDKDQ-KGLIPLIRSA-N 1 0 254.418 2.121 10 0 CEAERO C[C@@H](OCc1ccccc1)C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000404536668 533910235 /nfs/dbraw/zinc/91/02/35/533910235.db2.gz HGLXCQNHEUKIGX-HIFRSBDPSA-N 1 0 290.407 2.096 10 0 CEAERO C[C@H](Nc1cnn(Cc2ccccc2)c1)[C@H]1CC[NH2+]C1 ZINC000400336962 534029623 /nfs/dbraw/zinc/02/96/23/534029623.db2.gz FKPMUWRYJDLARB-ZFWWWQNUSA-N 1 0 270.380 2.341 10 0 CEAERO CC[NH2+][C@H](c1nccn1C)[C@@H]1OCCc2ccccc21 ZINC000097190688 517668751 /nfs/dbraw/zinc/66/87/51/517668751.db2.gz GXTCGEYGRIMQDZ-LSDHHAIUSA-N 1 0 271.364 2.385 10 0 CEAERO CC[NH2+][C@](C)(CO)CCCn1c(C)nc2ccccc21 ZINC000070515873 517669570 /nfs/dbraw/zinc/66/95/70/517669570.db2.gz MEXIKGRCQNDKJX-INIZCTEOSA-N 1 0 275.396 2.485 10 0 CEAERO Brc1cccc(NCC[NH+]2CCCC2)n1 ZINC000069018380 518219581 /nfs/dbraw/zinc/21/95/81/518219581.db2.gz PQXPOYGOYKVUEW-UHFFFAOYSA-N 1 0 270.174 2.352 10 0 CEAERO CC(=O)c1ccc(NC(=O)[C@]2(C)CCC[NH2+]C2)cc1 ZINC000062859468 518380007 /nfs/dbraw/zinc/38/00/07/518380007.db2.gz ARLRHEBUMRRQSN-OAHLLOKOSA-N 1 0 260.337 2.217 10 0 CEAERO CC(C)(C)NC(=O)[C@H](C[NH3+])Cc1cc(F)c(F)c(F)c1 ZINC000062706147 518748180 /nfs/dbraw/zinc/74/81/80/518748180.db2.gz LTZCRZDUNUFQJE-VIFPVBQESA-N 1 0 288.313 2.136 10 0 CEAERO CC(C)(C)[NH2+]C[C@@H]1CCCCN1Cc1ncccn1 ZINC000054460368 518759782 /nfs/dbraw/zinc/75/97/82/518759782.db2.gz VDQIBAHANYFTBA-ZDUSSCGKSA-N 1 0 262.401 2.219 10 0 CEAERO CC(C)(C)[NH2+]C[C@@H]1CC[C@H](Cn2nnc3ccccc32)O1 ZINC000052576713 518760199 /nfs/dbraw/zinc/76/01/99/518760199.db2.gz UAONSMMIKLAFQN-QWHCGFSZSA-N 1 0 288.395 2.367 10 0 CEAERO CC(C)(C)[NH2+]C[C@@H]1CCCN1c1ncnc2c1CCC2 ZINC000061278247 518760984 /nfs/dbraw/zinc/76/09/84/518760984.db2.gz NEVQELQTGAVQSC-LBPRGKRZSA-N 1 0 274.412 2.322 10 0 CEAERO CC(C)(C)[NH2+]C[C@H](O)c1ccc2c(c1)OCCCO2 ZINC000048331223 518761722 /nfs/dbraw/zinc/76/17/22/518761722.db2.gz DRUUFNCJEPZCAV-LBPRGKRZSA-N 1 0 265.353 2.269 10 0 CEAERO CC(C)(C)[NH2+]Cc1ccc(-n2ccc(C3CC3)n2)nn1 ZINC000052885261 518763507 /nfs/dbraw/zinc/76/35/07/518763507.db2.gz NFUOTOYROCCQOP-UHFFFAOYSA-N 1 0 271.368 2.428 10 0 CEAERO CC(C)(C)[NH2+]Cc1ccccc1N1CCC[C@@H]1C(N)=O ZINC000062735008 518766451 /nfs/dbraw/zinc/76/64/51/518766451.db2.gz AOVKZCNUALDTLG-CQSZACIVSA-N 1 0 275.396 2.029 10 0 CEAERO CC(C)(C)[NH2+]Cc1nnnn1[C@H]1C[C@H]1c1ccccc1 ZINC000054747532 518771499 /nfs/dbraw/zinc/77/14/99/518771499.db2.gz RRFRRXBJTYMINC-STQMWFEESA-N 1 0 271.368 2.290 10 0 CEAERO CC(C)(C)OC[C@H](O)CN1CC[NH+](C2CCCCC2)CC1 ZINC000162963981 518882455 /nfs/dbraw/zinc/88/24/55/518882455.db2.gz GASOVHHPDGIVRS-MRXNPFEDSA-N 1 0 298.471 2.113 10 0 CEAERO CC(C)C[C@@H]1C[NH2+][C@H](C(C)C)CN1Cc1cnn(C)c1 ZINC000068703444 519274272 /nfs/dbraw/zinc/27/42/72/519274272.db2.gz RHAVRGGKOHYJDI-CVEARBPZSA-N 1 0 278.444 2.265 10 0 CEAERO CC(C)C[C@@H]1C[NH2+]CCN1Cc1cn2ccccc2n1 ZINC000068697223 519273856 /nfs/dbraw/zinc/27/38/56/519273856.db2.gz BPWJYXYFNNNWEN-OAHLLOKOSA-N 1 0 272.396 2.154 10 0 CEAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CCCCC[C@@H]1O ZINC000049555486 519342236 /nfs/dbraw/zinc/34/22/36/519342236.db2.gz IENZHONZQZGUBZ-ILXRZTDVSA-N 1 0 256.434 2.246 10 0 CEAERO CC(C)C[C@H](CNC(=O)c1ccc2c[nH]nc2c1)[NH+](C)C ZINC000061670511 519350365 /nfs/dbraw/zinc/35/03/65/519350365.db2.gz KKUCDUOOVZSDFK-CQSZACIVSA-N 1 0 288.395 2.269 10 0 CEAERO CC(C)(c1noc([C@H]2C[NH2+]CCO2)n1)c1ccc(F)cc1 ZINC000069394898 519384408 /nfs/dbraw/zinc/38/44/08/519384408.db2.gz NTLYNQJHEGCRDV-GFCCVEGCSA-N 1 0 291.326 2.196 10 0 CEAERO CC(C)C1CCC(C[NH3+])(N(C)Cc2cnn(C)c2)CC1 ZINC000054557112 519559936 /nfs/dbraw/zinc/55/99/36/519559936.db2.gz KZYOHYBFHCHJCK-UHFFFAOYSA-N 1 0 278.444 2.396 10 0 CEAERO CC(C)[N@@H+]1CC[C@H](Cn2cnc3cc(N)ccc32)C1 ZINC000052853832 519688806 /nfs/dbraw/zinc/68/88/06/519688806.db2.gz LKIZJXRUACWZPW-LBPRGKRZSA-N 1 0 258.369 2.349 10 0 CEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CC[C@H]2CC[C@@H](C)O2)C1 ZINC000155494043 519694668 /nfs/dbraw/zinc/69/46/68/519694668.db2.gz TWDAHKXDADRBSC-GBJTYRQASA-N 1 0 282.428 2.179 10 0 CEAERO CC(=O)Nc1cc(NC(=O)C[C@H]2CCC[NH2+]C2)ccc1F ZINC000054307550 519705018 /nfs/dbraw/zinc/70/50/18/519705018.db2.gz HWXNFILEDYRMDI-LLVKDONJSA-N 1 0 293.342 2.112 10 0 CEAERO CC(C)CN(CCC[NH3+])C(=O)c1ccc2nccnc2c1 ZINC000061410548 519715320 /nfs/dbraw/zinc/71/53/20/519715320.db2.gz HTUOCIOGAGLENY-UHFFFAOYSA-N 1 0 286.379 2.077 10 0 CEAERO CC(C)NC(=O)[C@H](C)Oc1cc(F)ccc1[C@@H](C)[NH3+] ZINC000062745717 519715504 /nfs/dbraw/zinc/71/55/04/519715504.db2.gz KWDFLFOCEJVBPK-ZJUUUORDSA-N 1 0 268.332 2.137 10 0 CEAERO CC(C)C[NH+]1CCN([C@@H]2CCc3ccccc3[C@H]2O)CC1 ZINC000055080768 519727941 /nfs/dbraw/zinc/72/79/41/519727941.db2.gz OYMBEJYFHGKIRS-QZTJIDSGSA-N 1 0 288.435 2.308 10 0 CEAERO CC(C)[NH2+]Cc1nnnn1Cc1ccc(C(F)(F)F)cc1 ZINC000061627552 519729749 /nfs/dbraw/zinc/72/97/49/519729749.db2.gz SQQHXJXHHFEDAF-UHFFFAOYSA-N 1 0 299.300 2.238 10 0 CEAERO CC(C)CNC(=O)C[NH2+][C@H]1CCCc2sccc21 ZINC000061362579 519734692 /nfs/dbraw/zinc/73/46/92/519734692.db2.gz OTXHDNGPASGIHT-LBPRGKRZSA-N 1 0 266.410 2.487 10 0 CEAERO CC(C)[NH2+][C@@H](CCSc1ccccc1F)C(N)=O ZINC000062598457 519734835 /nfs/dbraw/zinc/73/48/35/519734835.db2.gz MPQSRWOSBTYUQZ-NSHDSACASA-N 1 0 270.373 2.160 10 0 CEAERO CC(C)[NH2+][C@@](C)(CSc1cc(F)ccc1F)C(N)=O ZINC000045591082 519735935 /nfs/dbraw/zinc/73/59/35/519735935.db2.gz HTZAQAIOXNKSQO-ZDUSSCGKSA-N 1 0 288.363 2.299 10 0 CEAERO CC(C)N[C@@](C)(C[C@@H](C)[NH+](CC1CC1)CC1CC1)C(N)=O ZINC000068648007 519736676 /nfs/dbraw/zinc/73/66/76/519736676.db2.gz DFUMHUYGNMPDJP-DYVFJYSZSA-N 1 0 295.471 2.129 10 0 CEAERO CC(C)N[C@@](C)(C[C@H](C)[N@H+](C)[C@@H](C)C(C)(C)C)C(N)=O ZINC000068630448 519736817 /nfs/dbraw/zinc/73/68/17/519736817.db2.gz VJKURLVBASLFST-XEZPLFJOSA-N 1 0 285.476 2.373 10 0 CEAERO CC(C)[NH2+][C@@](CO[C@H]1CCC[C@@H](C)C1)(C(N)=O)C1CC1 ZINC000069195361 519737532 /nfs/dbraw/zinc/73/75/32/519737532.db2.gz WXTXRUVOVHCJDN-IVMMDQJWSA-N 1 0 282.428 2.214 10 0 CEAERO CC(C)[NH2+][C@H](CC[NH+]1CCCCCCC1)C(=O)[O-] ZINC000062438807 519737964 /nfs/dbraw/zinc/73/79/64/519737964.db2.gz LXAYEDCACSEMOU-CYBMUJFWSA-N 1 0 256.390 2.094 10 0 CEAERO CC(C)C[NH2+]Cc1ccccc1N(CC(N)=O)CC(C)C ZINC000062737823 519747660 /nfs/dbraw/zinc/74/76/60/519747660.db2.gz WZBZSNWILDXGBE-UHFFFAOYSA-N 1 0 291.439 2.380 10 0 CEAERO CC(C)C[NH2+]Cc1nnnn1[C@H]1CCCc2sccc21 ZINC000061367294 519748882 /nfs/dbraw/zinc/74/88/82/519748882.db2.gz RPZFYKZHHBTLQE-LBPRGKRZSA-N 1 0 291.424 2.406 10 0 CEAERO CC(C)OCCN(CCC[NH3+])c1cccc(F)c1 ZINC000049259215 519765428 /nfs/dbraw/zinc/76/54/28/519765428.db2.gz NJCQAZCAAISVFR-UHFFFAOYSA-N 1 0 254.349 2.406 10 0 CEAERO CC(C)OCCN1CCC[NH2+][C@@H](c2ccccc2)C1 ZINC000062660578 519765684 /nfs/dbraw/zinc/76/56/84/519765684.db2.gz KMTPXIFHCSLSFM-MRXNPFEDSA-N 1 0 262.397 2.448 10 0 CEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1sccc1N ZINC000049551043 519775724 /nfs/dbraw/zinc/77/57/24/519775724.db2.gz BKIAMZBHBARHLE-JTQLQIEISA-N 1 0 269.414 2.036 10 0 CEAERO CC(C)Oc1cccc(C(=O)N(CC[NH3+])C2CC2)c1 ZINC000061665809 519782209 /nfs/dbraw/zinc/78/22/09/519782209.db2.gz LUVGVHFIXCJGAN-UHFFFAOYSA-N 1 0 262.353 2.037 10 0 CEAERO 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264.344 2.495 10 0 CEAERO CC[NH2+]CCC(=O)N1CCc2sccc2[C@H]1C ZINC000061297146 519916208 /nfs/dbraw/zinc/91/62/08/519916208.db2.gz YERXAHSAKZTZBC-SNVBAGLBSA-N 1 0 252.383 2.193 10 0 CEAERO CC[NH2+]CCC(=O)NCc1ccc(F)c(Cl)c1 ZINC000061299507 519916880 /nfs/dbraw/zinc/91/68/80/519916880.db2.gz JFWJGUJJRRSFQB-UHFFFAOYSA-N 1 0 258.724 2.095 10 0 CEAERO CC[NH2+]CCC(=O)Nc1ccc(C(=O)OC(C)C)cc1 ZINC000061290973 519917869 /nfs/dbraw/zinc/91/78/69/519917869.db2.gz TTWPFPCTOMNFPL-UHFFFAOYSA-N 1 0 278.352 2.190 10 0 CEAERO CCC[NH2+]C[C@@H](Cc1nnnn1-c1ccccc1)C(C)C ZINC000052972079 519921868 /nfs/dbraw/zinc/92/18/68/519921868.db2.gz KTYWKBHATCEXOY-CQSZACIVSA-N 1 0 287.411 2.477 10 0 CEAERO CCC[NH2+]C[C@@H]1C[C@]1(C)c1ccc(S(C)(=O)=O)cc1 ZINC000054593663 519926435 /nfs/dbraw/zinc/92/64/35/519926435.db2.gz JBLODSHSOCUYRB-DZGCQCFKSA-N 1 0 281.421 2.367 10 0 CEAERO CC[NH2+]CCc1c(C)nc(N(CC)CC)nc1C ZINC000054853706 519928375 /nfs/dbraw/zinc/92/83/75/519928375.db2.gz AFNZFXRINBLPAZ-UHFFFAOYSA-N 1 0 250.390 2.092 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QAIKQIRRMYEXDS-QWHCGFSZSA-N 1 0 261.431 2.083 10 0 CEAERO CC[NH2+]C[C@H](Cc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000052950527 519973387 /nfs/dbraw/zinc/97/33/87/519973387.db2.gz WLVRLPLMQQDXKX-CVEARBPZSA-N 1 0 295.448 2.198 10 0 CEAERO CC[NH2+]C[C@H](c1ccccc1)N(C)C[C@@H]1CCCO1 ZINC000052541110 519975168 /nfs/dbraw/zinc/97/51/68/519975168.db2.gz SUPVAHUSJKXWDZ-JKSUJKDBSA-N 1 0 262.397 2.448 10 0 CEAERO CCC[NH2+]Cc1sc(N2CCOCC2)nc1CC ZINC000054995198 519975509 /nfs/dbraw/zinc/97/55/09/519975509.db2.gz PQECWAHUJQUQEJ-UHFFFAOYSA-N 1 0 269.414 2.042 10 0 CEAERO CC[NH2+]C[C@H]1CCCN1c1nncc2ccccc21 ZINC000053696671 519975891 /nfs/dbraw/zinc/97/58/91/519975891.db2.gz AXVQBDHGASDLQB-CYBMUJFWSA-N 1 0 256.353 2.208 10 0 CEAERO CC[NH2+]Cc1cc(Br)cnc1-n1cccn1 ZINC000051489359 519984561 /nfs/dbraw/zinc/98/45/61/519984561.db2.gz OZNZWIMQQZNVBD-UHFFFAOYSA-N 1 0 281.157 2.139 10 0 CEAERO CC[NH2+]Cc1c(C)nn([C@@H]2CCCCC[C@@H]2O)c1C ZINC000054600447 519984583 /nfs/dbraw/zinc/98/45/83/519984583.db2.gz HRDRGGKUHWHQNZ-CABCVRRESA-N 1 0 265.401 2.476 10 0 CEAERO CC[NH2+]Cc1cc(CN2CCO[C@@H]3CCC[C@@H]32)c(C)o1 ZINC000052540364 519990661 /nfs/dbraw/zinc/99/06/61/519990661.db2.gz TVYOPQPTLIIRJS-JKSUJKDBSA-N 1 0 278.396 2.451 10 0 CEAERO CC[NH2+]Cc1cc(CN2C[C@H](C)O[C@@H](C)C2)oc1C ZINC000052380326 519991450 /nfs/dbraw/zinc/99/14/50/519991450.db2.gz DSIIEOVBLKFREN-RYUDHWBXSA-N 1 0 266.385 2.307 10 0 CEAERO CCC[NH2+][C@@H](CCSc1ccc(C)cc1)C(N)=O ZINC000062598257 520005745 /nfs/dbraw/zinc/00/57/45/520005745.db2.gz GKRIEZCFDGWZPD-ZDUSSCGKSA-N 1 0 266.410 2.331 10 0 CEAERO CCC[NH2+][C@@H]1CCCc2nc(N3CCOCC3)sc21 ZINC000054900064 520022184 /nfs/dbraw/zinc/02/21/84/520022184.db2.gz ZTFAHCIUQFCAKV-LLVKDONJSA-N 1 0 281.425 2.357 10 0 CEAERO CC[NH2+]Cc1occc1CN1C[C@@H](C)OC(C)(C)C1 ZINC000052543482 520029949 /nfs/dbraw/zinc/02/99/49/520029949.db2.gz DVVVVSXMYYRYNP-GFCCVEGCSA-N 1 0 266.385 2.388 10 0 CEAERO CCC[NH2+][C@@](C)(CCCN(C)c1cccc(C)c1)C(N)=O ZINC000049990284 520035007 /nfs/dbraw/zinc/03/50/07/520035007.db2.gz SHSHJPGUEGTMJV-KRWDZBQOSA-N 1 0 291.439 2.455 10 0 CEAERO CCC[NH2+][C@@](C)(C[C@@H](C)Oc1cccc(OC)c1)C(N)=O ZINC000068655596 520042723 /nfs/dbraw/zinc/04/27/23/520042723.db2.gz MODGFXNBENGXEB-WBMJQRKESA-N 1 0 294.395 2.096 10 0 CEAERO CCC[NH2+][C@@](C)(C[C@H](C)n1nc(C)c(C)c1C)C(N)=O ZINC000068649118 520046900 /nfs/dbraw/zinc/04/69/00/520046900.db2.gz AKFHDMLCOHNLSQ-BONVTDFDSA-N 1 0 280.416 2.003 10 0 CEAERO CCCN[C@@](C[N@H+](CC)CC1CC1)(C(=O)OCC)C1CC1 ZINC000069239464 520048970 /nfs/dbraw/zinc/04/89/70/520048970.db2.gz ADPVDCOPPKTBBZ-QGZVFWFLSA-N 1 0 296.455 2.430 10 0 CEAERO CCCN[C@@](C[N@H+](C)[C@@H](C)C1CC1)(C(=O)OCC)C1CC1 ZINC000069099833 520049529 /nfs/dbraw/zinc/04/95/29/520049529.db2.gz JNRAYGWNMJPXTC-SUMWQHHRSA-N 1 0 296.455 2.428 10 0 CEAERO CCC[NH2+][C@@](CN(C)c1cccc(C)c1)(C(N)=O)C1CC1 ZINC000069231391 520049584 /nfs/dbraw/zinc/04/95/84/520049584.db2.gz RMHBWXHSVFCBMG-QGZVFWFLSA-N 1 0 289.423 2.065 10 0 CEAERO 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AYWOEBOUIXKLAY-QMMMGPOBSA-N 1 0 255.387 2.341 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1cccc(OCC)c1 ZINC000061271602 520071090 /nfs/dbraw/zinc/07/10/90/520071090.db2.gz UWDHHGNJPBUUEZ-NSHDSACASA-N 1 0 250.342 2.412 10 0 CEAERO CCCN[C@H](CC[N@@H+]1CCCC(C)(C)C1)C(=O)OCC ZINC000069517043 520074445 /nfs/dbraw/zinc/07/44/45/520074445.db2.gz VPHSSWNWROCJHZ-CQSZACIVSA-N 1 0 284.444 2.430 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(F)cc1O[C@@H](C)C(=O)NC ZINC000062747034 520076394 /nfs/dbraw/zinc/07/63/94/520076394.db2.gz QFHGBCPJMORMHK-UWVGGRQHSA-N 1 0 268.332 2.010 10 0 CEAERO CCC[NH2+][C@H](CCO[C@H]1CCCC[C@@H]1CC)C(N)=O ZINC000062543224 520079161 /nfs/dbraw/zinc/07/91/61/520079161.db2.gz SSSZUNLAERNXGZ-MJBXVCDLSA-N 1 0 270.417 2.215 10 0 CEAERO CC[NH2+][C@@H](CC)c1ccccc1OC[C@@H](O)COC ZINC000069053510 520083117 /nfs/dbraw/zinc/08/31/17/520083117.db2.gz XWYNUGOGMLRBOK-JSGCOSHPSA-N 1 0 267.369 2.133 10 0 CEAERO CCN[C@@H](CC[N@H+](C)C1CCC(C)CC1)C(=O)OCC ZINC000062525013 520084175 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/nfs/dbraw/zinc/16/95/60/520169560.db2.gz VNCPLVFPWXBZAJ-LLVKDONJSA-N 1 0 250.342 2.330 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1ccc(C)c(NC(C)=O)c1 ZINC000061271325 520169838 /nfs/dbraw/zinc/16/98/38/520169838.db2.gz WSWNRKDRUYGUGW-LLVKDONJSA-N 1 0 277.368 2.280 10 0 CEAERO CC[NH2+][C@H](C)CCOc1cc(OC)cc(OC)c1 ZINC000068967175 520171884 /nfs/dbraw/zinc/17/18/84/520171884.db2.gz NUNMWWKGZZLVNV-LLVKDONJSA-N 1 0 253.342 2.471 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(NC(=O)c2cc[nH]n2)cc1 ZINC000062775421 520178379 /nfs/dbraw/zinc/17/83/79/520178379.db2.gz KSQUXWIJIGKUTL-SNVBAGLBSA-N 1 0 258.325 2.333 10 0 CEAERO CC[NH2+][C@H](CC)c1c(C)nn(Cc2cnn(C)c2)c1C ZINC000054718897 520184579 /nfs/dbraw/zinc/18/45/79/520184579.db2.gz PJVJZASHDBKBRQ-CQSZACIVSA-N 1 0 275.400 2.342 10 0 CEAERO CCCNc1ccnc(C(=O)N[C@@H](C[NH+](C)C)C(C)C)c1 ZINC000050779680 520185089 /nfs/dbraw/zinc/18/50/89/520185089.db2.gz BBXYJSRXDGZRHT-HNNXBMFYSA-N 1 0 292.427 2.220 10 0 CEAERO CC[NH2+][C@H](CCOc1ccccc1)Cc1cnn(C)c1 ZINC000050542268 520192512 /nfs/dbraw/zinc/19/25/12/520192512.db2.gz SZVLTHIFPQOPND-OAHLLOKOSA-N 1 0 273.380 2.410 10 0 CEAERO CC[NH2+][C@H](CCSc1ccc(Cl)cc1)C(N)=O ZINC000062597832 520194889 /nfs/dbraw/zinc/19/48/89/520194889.db2.gz SWUVDAXAFQUMPD-LLVKDONJSA-N 1 0 272.801 2.286 10 0 CEAERO CC[NH2+][C@H](c1c(F)cc(OC)cc1F)[C@@H]1COCCO1 ZINC000055300982 520205358 /nfs/dbraw/zinc/20/53/58/520205358.db2.gz FEUTUGIKUCXIEH-JSGCOSHPSA-N 1 0 287.306 2.039 10 0 CEAERO CC[NH2+][C@H](c1ccc(OCC)cc1)[C@@H]1COCCO1 ZINC000055299923 520209448 /nfs/dbraw/zinc/20/94/48/520209448.db2.gz NOZZOCOKUIVTTG-LSDHHAIUSA-N 1 0 265.353 2.151 10 0 CEAERO CC[NH2+][C@H](c1ccc2c(c1)CCC(=O)N2C)[C@H]1CCCO1 ZINC000062806660 520209930 /nfs/dbraw/zinc/20/99/30/520209930.db2.gz CQBWMBNTXCDTIS-NVXWUHKLSA-N 1 0 288.391 2.425 10 0 CEAERO CCCCCNC(=O)[C@@H](C)[NH2+][C@@H](CC(C)C)CN(C)C ZINC000049555836 520212916 /nfs/dbraw/zinc/21/29/16/520212916.db2.gz TZRCIOOLNXMBAM-CABCVRRESA-N 1 0 285.476 2.247 10 0 CEAERO CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1CCS(C)(=O)=O ZINC000054630923 520217374 /nfs/dbraw/zinc/21/73/74/520217374.db2.gz RWZGQIATBUWSJA-RDBSUJKOSA-N 1 0 275.458 2.472 10 0 CEAERO CC[NH2+][C@H]1CCc2c1cccc2O[C@H](C)C(=O)N(C)C ZINC000062799701 520219440 /nfs/dbraw/zinc/21/94/40/520219440.db2.gz VEEQHKTWCKDSLL-RISCZKNCSA-N 1 0 276.380 2.139 10 0 CEAERO CC[NH2+][C@H]1COc2cc(OCc3nnc(C)o3)ccc21 ZINC000062804668 520221764 /nfs/dbraw/zinc/22/17/64/520221764.db2.gz RPBQDMZBGNAGTQ-LBPRGKRZSA-N 1 0 275.308 2.000 10 0 CEAERO CCN[C@](C)(C[N@H+](C)C(C)(C)CC)C(=O)OCC ZINC000069446648 520231491 /nfs/dbraw/zinc/23/14/91/520231491.db2.gz JLPOZNUHSAVDEK-CQSZACIVSA-N 1 0 258.406 2.038 10 0 CEAERO CCN[C@](C[N@H+](C)CC1CCC1)(C(=O)OCC)C1CC1 ZINC000069231932 520242266 /nfs/dbraw/zinc/24/22/66/520242266.db2.gz KIUBEZPYMMHKOB-INIZCTEOSA-N 1 0 282.428 2.040 10 0 CEAERO CC[NH2+][C@](COc1c(C)ccc(C)c1C)(C(N)=O)C1CC1 ZINC000069197930 520251144 /nfs/dbraw/zinc/25/11/44/520251144.db2.gz USNPDFOZXHIKHL-KRWDZBQOSA-N 1 0 290.407 2.234 10 0 CEAERO CCNc1cc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)ccn1 ZINC000050777064 520263487 /nfs/dbraw/zinc/26/34/87/520263487.db2.gz IPMFNFICCFFLRM-AWEZNQCLSA-N 1 0 292.427 2.220 10 0 CEAERO CCNc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000050777807 520287788 /nfs/dbraw/zinc/28/77/88/520287788.db2.gz PKKCRURNCXQDFX-HNNXBMFYSA-N 1 0 275.396 2.333 10 0 CEAERO CCCO[C@H]1CCCN([C@@H](CC)C[NH2+]C2CC2)C1 ZINC000052371508 520288548 /nfs/dbraw/zinc/28/85/48/520288548.db2.gz WWVIXMPBBZRWAH-GJZGRUSLSA-N 1 0 254.418 2.408 10 0 CEAERO CCN(C1(C[NH3+])CCCCC1)S(=O)(=O)c1ccccc1 ZINC000050092728 520291445 /nfs/dbraw/zinc/29/14/45/520291445.db2.gz NHTVWOKKWOPISG-UHFFFAOYSA-N 1 0 296.436 2.359 10 0 CEAERO CCCCC[C@@H](C[NH2+]CC)[C@H]1CCS(=O)(=O)C1 ZINC000052950335 520291784 /nfs/dbraw/zinc/29/17/84/520291784.db2.gz DYXHKRDOVMTUCV-STQMWFEESA-N 1 0 261.431 2.227 10 0 CEAERO CCNc1ccc(C(=O)N[C@H](C)C[NH+]2CCCC2)cc1 ZINC000050787865 520292655 /nfs/dbraw/zinc/29/26/55/520292655.db2.gz REWMNKHLPYLKEK-CYBMUJFWSA-N 1 0 275.396 2.333 10 0 CEAERO CCNc1ccccc1C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000061656060 520338257 /nfs/dbraw/zinc/33/82/57/520338257.db2.gz AZBJDBCFUQQGIL-ZDUSSCGKSA-N 1 0 275.396 2.285 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(O)c2)C12CCOCC2 ZINC000186306458 520372472 /nfs/dbraw/zinc/37/24/72/520372472.db2.gz ZDWLRFZQCGMPSN-HZPDHXFCSA-N 1 0 291.391 2.456 10 0 CEAERO CCNc1ncccc1C(=O)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055085282 520372875 /nfs/dbraw/zinc/37/28/75/520372875.db2.gz FCDSMRQHYUDRIZ-ZDUSSCGKSA-N 1 0 290.411 2.070 10 0 CEAERO CCOC(=O)C1(NCC[NH+](C)C)CCC(C(C)C)CC1 ZINC000054557448 520470633 /nfs/dbraw/zinc/47/06/33/520470633.db2.gz IDIMHROGKSNVEB-UHFFFAOYSA-N 1 0 284.444 2.286 10 0 CEAERO CCCOc1nc(N[C@H](C)C[NH+]2CCCC2)ccc1N ZINC000049152322 520495551 /nfs/dbraw/zinc/49/55/51/520495551.db2.gz IXZDFYBKZNKVIP-GFCCVEGCSA-N 1 0 278.400 2.349 10 0 CEAERO CC1(C)COCCN1Cc1ccoc1C[NH2+]C1CC1 ZINC000052546110 520508183 /nfs/dbraw/zinc/50/81/83/520508183.db2.gz 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/nfs/dbraw/zinc/70/91/40/520709140.db2.gz KYADSQZXWOKTPR-QWHCGFSZSA-N 1 0 261.431 2.083 10 0 CEAERO CCOc1cc(C[NH2+]C2(CO)CCCC2)ccc1O ZINC000053044674 520709229 /nfs/dbraw/zinc/70/92/29/520709229.db2.gz IKPBBYCJOITASV-UHFFFAOYSA-N 1 0 265.353 2.186 10 0 CEAERO CCOc1cc(C[NH2+]CC(C)C)ccc1OCC(=O)OC ZINC000062731192 520709496 /nfs/dbraw/zinc/70/94/96/520709496.db2.gz KGWIOLSHYYIWTM-UHFFFAOYSA-N 1 0 295.379 2.383 10 0 CEAERO CCCCOCC[NH2+]CCN(C)Cc1ccco1 ZINC000053380694 520781457 /nfs/dbraw/zinc/78/14/57/520781457.db2.gz MTFUACVDBPGNIP-UHFFFAOYSA-N 1 0 254.374 2.118 10 0 CEAERO CCOC(=O)C[C@@H](C)[NH2+]CCc1cc(F)cc(F)c1 ZINC000060718214 520836808 /nfs/dbraw/zinc/83/68/08/520836808.db2.gz PBFJHUIINUOBJI-SNVBAGLBSA-N 1 0 271.307 2.439 10 0 CEAERO CCC[C@@]1(C(=O)Nc2ccc(OC)nc2)CCC[NH2+]C1 ZINC000062852369 520944513 /nfs/dbraw/zinc/94/45/13/520944513.db2.gz HQMBKMWLDATYJX-OAHLLOKOSA-N 1 0 277.368 2.199 10 0 CEAERO CC1CCC(NC(=O)[C@@H]2C[C@@H]([NH3+])CC[C@@H]2C)CC1 ZINC000055124504 520949703 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CCC[C@]1(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)CCC[NH2+]C1 ZINC000062857270 521299307 /nfs/dbraw/zinc/29/93/07/521299307.db2.gz BZCBNDFNIDZOFD-UXLLHSPISA-N 1 0 294.439 2.326 10 0 CEAERO CCC[C@]1(C(=O)NCCc2cccc(C)c2)CC[NH2+]C1 ZINC000062903687 521299404 /nfs/dbraw/zinc/29/94/04/521299404.db2.gz JDHXSCWQXZTOSV-KRWDZBQOSA-N 1 0 274.408 2.434 10 0 CEAERO CCOC(=O)[C@](C[N@H+](C)[C@@H](C)C1CC1)(NC1CC1)C1CC1 ZINC000069099836 521339177 /nfs/dbraw/zinc/33/91/77/521339177.db2.gz ANQXBCICRVYDRA-YVEFUNNKSA-N 1 0 294.439 2.181 10 0 CEAERO CCCc1ccc(-n2nnnc2C[NH2+]C(C)C)cc1 ZINC000054745065 521388517 /nfs/dbraw/zinc/38/85/17/521388517.db2.gz FOBKHRFYDAEJCJ-UHFFFAOYSA-N 1 0 259.357 2.113 10 0 CEAERO CC[N@@H+](Cc1cccnc1C(N)=S)CC(C)C ZINC000061659709 521397942 /nfs/dbraw/zinc/39/79/42/521397942.db2.gz WJBZGUVRXIPYIN-UHFFFAOYSA-N 1 0 251.399 2.194 10 0 CEAERO CCC(CC)(C[NH3+])N(C)S(=O)(=O)c1cc(C)ccc1C ZINC000050093677 521425658 /nfs/dbraw/zinc/42/56/58/521425658.db2.gz KIQLPKISYXDDRB-UHFFFAOYSA-N 1 0 298.452 2.441 10 0 CEAERO CCN(Cc1csc(C[NH2+]C(C)C)n1)[C@H](C)COC ZINC000052504654 521443282 /nfs/dbraw/zinc/44/32/82/521443282.db2.gz RCZCUQRSUGKECX-GFCCVEGCSA-N 1 0 285.457 2.498 10 0 CEAERO CCCN(C(=O)c1cccn1C1CC[NH2+]CC1)C1CC1 ZINC000054442848 521446729 /nfs/dbraw/zinc/44/67/29/521446729.db2.gz IHZCENDNHKSLCH-UHFFFAOYSA-N 1 0 275.396 2.427 10 0 CEAERO CCN(c1nc2c(s1)[C@H]([NH3+])CCC2)[C@@H](C)COC ZINC000054896671 521505864 /nfs/dbraw/zinc/50/58/64/521505864.db2.gz VLYLSBLPSMXBOG-VHSXEESVSA-N 1 0 269.414 2.340 10 0 CEAERO CCOc1ccccc1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054290048 521532632 /nfs/dbraw/zinc/53/26/32/521532632.db2.gz GQDSLLPTUJVYRE-LBPRGKRZSA-N 1 0 262.353 2.414 10 0 CEAERO CCCc1[nH+]c2cc(N)ccc2n1CCOCCOC ZINC000052853875 521541639 /nfs/dbraw/zinc/54/16/39/521541639.db2.gz DQVSVDHATRXXAF-UHFFFAOYSA-N 1 0 277.368 2.234 10 0 CEAERO CCCc1[nH+]c2cc(N)ccc2n1CCC(=O)OC ZINC000052853693 521542367 /nfs/dbraw/zinc/54/23/67/521542367.db2.gz HUTXHOOLXZNRSP-UHFFFAOYSA-N 1 0 261.325 2.134 10 0 CEAERO CCC(CC)N(CCOC)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055088583 521557229 /nfs/dbraw/zinc/55/72/29/521557229.db2.gz DSNIWPGLPXKICI-STQMWFEESA-N 1 0 270.417 2.168 10 0 CEAERO CCOC(=O)c1ccoc1CN1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000063195540 521562374 /nfs/dbraw/zinc/56/23/74/521562374.db2.gz BHEFOVLSUWBKQT-YPMHNXCESA-N 1 0 280.368 2.158 10 0 CEAERO CCOc1nc(N[C@H](C[NH+](C)C)C(C)C)ccc1N ZINC000049194701 521606049 /nfs/dbraw/zinc/60/60/49/521606049.db2.gz WMLUVDMQYAEASJ-GFCCVEGCSA-N 1 0 266.389 2.061 10 0 CEAERO CCCn1c(S[C@H](C[NH3+])c2ccccc2C)n[nH]c1=O ZINC000061594792 521635524 /nfs/dbraw/zinc/63/55/24/521635524.db2.gz QXYXDYLXWPYGIG-GFCCVEGCSA-N 1 0 292.408 2.082 10 0 CEAERO CCCN(CCC)C(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000051096053 521643347 /nfs/dbraw/zinc/64/33/47/521643347.db2.gz IIZWBKAPEJXHQC-UHFFFAOYSA-N 1 0 270.764 2.283 10 0 CEAERO CCCN(CCC[NH3+])C(=O)c1cccc(F)c1F ZINC000054187399 521653476 /nfs/dbraw/zinc/65/34/76/521653476.db2.gz JODRWAWUCHSVCK-UHFFFAOYSA-N 1 0 256.296 2.166 10 0 CEAERO CCOC1CC[NH+](Cc2ccc(N)c(F)c2)CC1 ZINC000063011360 521656705 /nfs/dbraw/zinc/65/67/05/521656705.db2.gz BXXCJIQUOZSDPS-UHFFFAOYSA-N 1 0 252.333 2.409 10 0 CEAERO CCCn1ccnc(N2CCC[C@H]2C[NH2+]C(C)(C)C)c1=O ZINC000061774398 521659977 /nfs/dbraw/zinc/65/99/77/521659977.db2.gz SYVRLWMFMBFUEZ-ZDUSSCGKSA-N 1 0 292.427 2.010 10 0 CEAERO CCC[N@H+](CCO)Cc1cc2ccccc2nc1NC ZINC000050815783 521667254 /nfs/dbraw/zinc/66/72/54/521667254.db2.gz NPOFZCVYHXXJII-UHFFFAOYSA-N 1 0 273.380 2.481 10 0 CEAERO CCCN(Cc1cc(C[NH2+]C)no1)CC(F)(F)F ZINC000052504065 521681424 /nfs/dbraw/zinc/68/14/24/521681424.db2.gz OZBNVSQIWQKPHB-UHFFFAOYSA-N 1 0 265.279 2.168 10 0 CEAERO CCCN1C(=O)C[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1=O ZINC000049504013 521699494 /nfs/dbraw/zinc/69/94/94/521699494.db2.gz XBVHROHNTSWEID-GXFFZTMASA-N 1 0 278.327 2.014 10 0 CEAERO CCNC(=O)c1ccc(C)c(NC(=O)C[C@H](C)[NH2+]CC)c1 ZINC000061271304 521747389 /nfs/dbraw/zinc/74/73/89/521747389.db2.gz KMVWCNCFCMWFQB-LBPRGKRZSA-N 1 0 291.395 2.071 10 0 CEAERO CC[C@H](C)Oc1cc2c(cc1C[NH2+]CCOC)OCO2 ZINC000062733986 521763856 /nfs/dbraw/zinc/76/38/56/521763856.db2.gz SGMOKTSTSPSGJC-NSHDSACASA-N 1 0 281.352 2.329 10 0 CEAERO CN(C)CC[NH2+][C@@H](CO)c1csc2ccccc12 ZINC000054465893 521790628 /nfs/dbraw/zinc/79/06/28/521790628.db2.gz SLABVVZXOIFGFM-ZDUSSCGKSA-N 1 0 264.394 2.086 10 0 CEAERO C[NH+](C)C[C@@H]1CCCN1c1ccc(C=O)cc1F ZINC000061644946 521842772 /nfs/dbraw/zinc/84/27/72/521842772.db2.gz LOPZYBVVWFBDDY-LBPRGKRZSA-N 1 0 250.317 2.169 10 0 CEAERO C[NH+](C)C[C@@H]1CCCN1c1nc(C2CC2)c(CO)s1 ZINC000069183233 521846322 /nfs/dbraw/zinc/84/63/22/521846322.db2.gz MNMQGMZOBAZDIA-NSHDSACASA-N 1 0 281.425 2.043 10 0 CEAERO CC[C@@H](C(=O)N[C@H]1CCCC[NH2+]C1)c1ccccc1 ZINC000070120493 521861380 /nfs/dbraw/zinc/86/13/80/521861380.db2.gz CFJCRTLJSJHFHC-LSDHHAIUSA-N 1 0 260.381 2.439 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1CC(=O)c1ccc(F)cc1F ZINC000061645616 521865723 /nfs/dbraw/zinc/86/57/23/521865723.db2.gz WQYDPLNGMHOSNB-GFCCVEGCSA-N 1 0 282.334 2.174 10 0 CEAERO COC(=O)c1cc(N)ccc1NC[C@H](C)C[NH+]1CCCC1 ZINC000062081371 521873328 /nfs/dbraw/zinc/87/33/28/521873328.db2.gz MXJMPLHVAUYDGZ-LBPRGKRZSA-N 1 0 291.395 2.199 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000061316371 521938567 /nfs/dbraw/zinc/93/85/67/521938567.db2.gz ULPBFFJBNBBGSX-RKDXNWHRSA-N 1 0 266.307 2.222 10 0 CEAERO CCc1ccccc1[C@@H](C[NH3+])N1CCOCC1(C)C ZINC000052203698 521932557 /nfs/dbraw/zinc/93/25/57/521932557.db2.gz PDHAPECFQVAMKW-OAHLLOKOSA-N 1 0 262.397 2.360 10 0 CEAERO CCc1ccccc1[C@@H](CO)NCC[NH+](CC)CC ZINC000052204992 521933059 /nfs/dbraw/zinc/93/30/59/521933059.db2.gz QCWXHKPHWHBFCA-MRXNPFEDSA-N 1 0 264.413 2.214 10 0 CEAERO CCc1ccccc1[C@H](C[NH3+])N1CCOC[C@@H]1CC ZINC000052203581 521952750 /nfs/dbraw/zinc/95/27/50/521952750.db2.gz XJLPDWBWMVCIRW-HOCLYGCPSA-N 1 0 262.397 2.360 10 0 CEAERO C[NH2+]CCC[C@@H](C)Oc1cc(OC)cc(OC)c1 ZINC000070144339 521996951 /nfs/dbraw/zinc/99/69/51/521996951.db2.gz VKEHPOXTHAYEES-LLVKDONJSA-N 1 0 253.342 2.471 10 0 CEAERO C[NH2+]CCc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000050619649 522020019 /nfs/dbraw/zinc/02/00/19/522020019.db2.gz DSXFXRBCJVOZSA-UHFFFAOYSA-N 1 0 263.366 2.439 10 0 CEAERO C[NH2+]C[C@@H](CCS(C)(=O)=O)Cc1ccc(Cl)cc1 ZINC000052975202 522034599 /nfs/dbraw/zinc/03/45/99/522034599.db2.gz SKDMCQGSTBQYHV-LBPRGKRZSA-N 1 0 289.828 2.153 10 0 CEAERO C[NH2+]C[C@@H]1Cc2ccccc2CN1c1nc(C)cnc1C ZINC000053663961 522061389 /nfs/dbraw/zinc/06/13/89/522061389.db2.gz RZOJUQPPPOPWHB-INIZCTEOSA-N 1 0 282.391 2.244 10 0 CEAERO C[NH2+]C[C@H](C(C)C)N1CCc2cc(OC)c(OC)cc2C1 ZINC000052417218 522064487 /nfs/dbraw/zinc/06/44/87/522064487.db2.gz UIXAWRAIXOZPAE-OAHLLOKOSA-N 1 0 292.423 2.306 10 0 CEAERO C[NH2+]C[C@H]1CC[C@H](COc2ccc(F)cc2F)O1 ZINC000052650866 522096678 /nfs/dbraw/zinc/09/66/78/522096678.db2.gz PZKHMPCQMIVROE-GHMZBOCLSA-N 1 0 257.280 2.111 10 0 CEAERO C[NH2+]Cc1cc(C)c(OC[C@H](O)C(F)(F)F)c(C)c1 ZINC000068875857 522102435 /nfs/dbraw/zinc/10/24/35/522102435.db2.gz KQHDLMANVGYCBC-NSHDSACASA-N 1 0 277.286 2.325 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(C[C@](C)(CO)c2ccccc2)CC1 ZINC000055072916 522125120 /nfs/dbraw/zinc/12/51/20/522125120.db2.gz ZPHWGPSYJJHVCZ-SJLPKXTDSA-N 1 0 290.451 2.353 10 0 CEAERO C[NH2+]Cc1coc(CN2CCN(c3ccccc3)CC2)c1 ZINC000052417327 522148436 /nfs/dbraw/zinc/14/84/36/522148436.db2.gz RHEVYKYLVWNZLI-UHFFFAOYSA-N 1 0 285.391 2.321 10 0 CEAERO C[NH2+]Cc1nc(COc2c(OC)cccc2OC)cs1 ZINC000052650067 522151265 /nfs/dbraw/zinc/15/12/65/522151265.db2.gz XLUAQMWXBNBYBG-UHFFFAOYSA-N 1 0 294.376 2.459 10 0 CEAERO CC[C@H](C[NH2+]C(C)(C)C)N(CCOC)[C@@H](C)COC ZINC000052572287 522188473 /nfs/dbraw/zinc/18/84/73/522188473.db2.gz SDDALTOZTUTTJT-UONOGXRCSA-N 1 0 274.449 2.136 10 0 CEAERO CC[C@@H](C)NC(=O)[C@@H](C)Oc1cccc2c1CC[C@@H]2[NH3+] ZINC000062798694 522195528 /nfs/dbraw/zinc/19/55/28/522195528.db2.gz QUMHJRMZTHTRRH-GYSYKLTISA-N 1 0 276.380 2.315 10 0 CEAERO COC[C@@H](C)N(C)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000049041014 522214054 /nfs/dbraw/zinc/21/40/54/522214054.db2.gz XIKSSKJAHPYMQD-GHMZBOCLSA-N 1 0 265.357 2.205 10 0 CEAERO CN(C)c1ccc([C@H](O)[C@H]([NH3+])Cc2ccccc2)cc1 ZINC000054686146 522250745 /nfs/dbraw/zinc/25/07/45/522250745.db2.gz UMFYRMFMVXVBJI-SJORKVTESA-N 1 0 270.376 2.356 10 0 CEAERO COC(=O)c1ccccc1C[NH2+][C@H](CN(C)C)C(C)C ZINC000049198108 522263655 /nfs/dbraw/zinc/26/36/55/522263655.db2.gz XXBZZUJDOJJBHO-OAHLLOKOSA-N 1 0 278.396 2.149 10 0 CEAERO COC(=O)c1ccccc1OCC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000183168039 522288550 /nfs/dbraw/zinc/28/85/50/522288550.db2.gz HLBIHBWIGDNTLM-OCCSQVGLSA-N 1 0 293.363 2.009 10 0 CEAERO CC[C@H]([NH3+])[C@](O)(c1ccc(F)c(F)c1)C(F)(F)F ZINC000062784731 522345737 /nfs/dbraw/zinc/34/57/37/522345737.db2.gz PTHOBYHQIACRIP-VHSXEESVSA-N 1 0 269.213 2.452 10 0 CEAERO COC[C@@H]([NH3+])Cc1ccc(F)cc1Br ZINC000060697091 522312954 /nfs/dbraw/zinc/31/29/54/522312954.db2.gz SQBUHGMLVHGDGU-VIFPVBQESA-N 1 0 262.122 2.104 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1cnn(C)c1)N(C)C(C)(C)CC ZINC000069427666 522345884 /nfs/dbraw/zinc/34/58/84/522345884.db2.gz NFVVVTMFJNCBAO-STQMWFEESA-N 1 0 252.406 2.319 10 0 CEAERO C[NH2+][C@@H](CN1CCCOCC1)c1ccc(C)cc1C ZINC000061917939 522353187 /nfs/dbraw/zinc/35/31/87/522353187.db2.gz LPZPJLHPYXASGW-INIZCTEOSA-N 1 0 262.397 2.286 10 0 CEAERO C[NH2+][C@@H](CN1CCN(C)C1=O)c1c(C)cc(C)cc1C ZINC000052885578 522354519 /nfs/dbraw/zinc/35/45/19/522354519.db2.gz DOQCNKLMLCSHQR-AWEZNQCLSA-N 1 0 275.396 2.240 10 0 CEAERO C[NH2+][C@@H](Cn1nc(C)ccc1=O)c1cc(C)ccc1C ZINC000061810244 522363846 /nfs/dbraw/zinc/36/38/46/522363846.db2.gz QOQOYAUVNTUASM-HNNXBMFYSA-N 1 0 271.364 2.129 10 0 CEAERO C[NH2+][C@@H](c1ccc2c(c1)OCCO2)c1ccccn1 ZINC000055222915 522372224 /nfs/dbraw/zinc/37/22/24/522372224.db2.gz FOGJCOWKZCXPDK-HNNXBMFYSA-N 1 0 256.305 2.162 10 0 CEAERO CCc1nc(N2CCSC[C@H]2C)sc1C[NH2+]C ZINC000070222225 522388591 /nfs/dbraw/zinc/38/85/91/522388591.db2.gz QNBLYOBBPVJEGA-SECBINFHSA-N 1 0 271.455 2.367 10 0 CEAERO C[NH2+][C@@H]1CCCc2nc(N3C[C@H](C)O[C@@H](C)C3)sc21 ZINC000054900538 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C[NH2+][C@H](C)C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000052395776 522438230 /nfs/dbraw/zinc/43/82/30/522438230.db2.gz YELWSYZFQKTWDN-YIZLIVJESA-N 1 0 264.413 2.315 10 0 CEAERO C[NH2+][C@H](C)c1c(C)nn(CCOCC(F)(F)F)c1C ZINC000054717961 522445636 /nfs/dbraw/zinc/44/56/36/522445636.db2.gz UDKLFODEMIVPSK-MRVPVSSYSA-N 1 0 279.306 2.359 10 0 CEAERO C[NH2+][C@H](C)c1ccc(F)cc1OCc1nonc1C ZINC000070261460 522446232 /nfs/dbraw/zinc/44/62/32/522446232.db2.gz BBOPRYYGAVYIMF-MRVPVSSYSA-N 1 0 265.288 2.377 10 0 CEAERO C[NH2+][C@H](c1ccc2ncccc2c1)c1cnccn1 ZINC000069499995 522484247 /nfs/dbraw/zinc/48/42/47/522484247.db2.gz VVAMKBMOICAULW-OAHLLOKOSA-N 1 0 250.305 2.334 10 0 CEAERO C[NH2+][C@](C)(CCCSc1ccc(F)cc1)C(N)=O ZINC000045559012 522516450 /nfs/dbraw/zinc/51/64/50/522516450.db2.gz YXQPOVCVAWOLSC-CYBMUJFWSA-N 1 0 270.373 2.161 10 0 CEAERO C[NH2+][C@](C)(C[C@@H](C)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)[O-] ZINC000068627118 522519566 /nfs/dbraw/zinc/51/95/66/522519566.db2.gz BXOPKSCYJGEKGV-HLPPOEQASA-N 1 0 282.428 2.340 10 0 CEAERO CN[C@](C[N@H+](C)C1CCCCCC1)(C(=O)OC)C1CC1 ZINC000069100556 522524557 /nfs/dbraw/zinc/52/45/57/522524557.db2.gz ASAMAYRHRWGOBZ-INIZCTEOSA-N 1 0 282.428 2.182 10 0 CEAERO CCc1nccn1C[C@H]1CC[C@H](C[NH2+]C(C)(C)C)O1 ZINC000052593187 522586458 /nfs/dbraw/zinc/58/64/58/522586458.db2.gz SFPADKUFRBKTKD-CHWSQXEVSA-N 1 0 265.401 2.381 10 0 CEAERO CNc1ccc(C)cc1C(=O)N[C@H](C)C[NH+]1CCCC1 ZINC000053004851 522603810 /nfs/dbraw/zinc/60/38/10/522603810.db2.gz REDVIRVOVOZYBA-CYBMUJFWSA-N 1 0 275.396 2.251 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1nnc(C)o1)c1ccccn1 ZINC000051038015 522649671 /nfs/dbraw/zinc/64/96/71/522649671.db2.gz YVJLQUBYGPNIGU-MWLCHTKSSA-N 1 0 264.354 2.344 10 0 CEAERO CC[C@@H]([NH3+])c1ccccc1OCCCC(=O)NC ZINC000068816035 522654859 /nfs/dbraw/zinc/65/48/59/522654859.db2.gz LNKLLCMSAQJOTL-GFCCVEGCSA-N 1 0 250.342 2.001 10 0 CEAERO COC[C@H]([NH3+])C(=O)Nc1ccccc1Oc1ccccc1 ZINC000159092533 522694955 /nfs/dbraw/zinc/69/49/55/522694955.db2.gz XPNIQCLXEGEYOY-ZDUSSCGKSA-N 1 0 286.331 2.391 10 0 CEAERO COC1CC[NH+]([C@@H]2C[C@H](C(C)C)CC[C@H]2N)CC1 ZINC000054554967 522707253 /nfs/dbraw/zinc/70/72/53/522707253.db2.gz BCKFEVQGFOLKTD-BPLDGKMQSA-N 1 0 254.418 2.249 10 0 CEAERO CC[C@H]([NH2+][C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000052336364 522723834 /nfs/dbraw/zinc/72/38/34/522723834.db2.gz DHYUTBNQFCCBBG-OLZOCXBDSA-N 1 0 259.415 2.122 10 0 CEAERO C[N@H+](CCCCC(N)=S)CCc1ccncc1 ZINC000049582723 522729222 /nfs/dbraw/zinc/72/92/22/522729222.db2.gz VAAVXAAJFCYQRC-UHFFFAOYSA-N 1 0 251.399 2.012 10 0 CEAERO COc1cc([C@H](O)[C@@H]([NH3+])Cc2ccccc2)ccc1O ZINC000054685508 522952841 /nfs/dbraw/zinc/95/28/41/522952841.db2.gz BDZKBBXGPSNFHX-BBRMVZONSA-N 1 0 273.332 2.004 10 0 CEAERO COCc1ccccc1CNC(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050945555 523094272 /nfs/dbraw/zinc/09/42/72/523094272.db2.gz RVRSVIHIYVKAGK-MRXNPFEDSA-N 1 0 290.407 2.372 10 0 CEAERO COC(=O)CCOc1c(Cl)cc(Cl)cc1C[NH3+] ZINC000069317238 523103467 /nfs/dbraw/zinc/10/34/67/523103467.db2.gz XKLKSJNOYUWYKR-UHFFFAOYSA-N 1 0 278.135 2.394 10 0 CEAERO COC(=O)CCOc1cccc(C[NH2+]CC(C)C)c1 ZINC000069317560 523107513 /nfs/dbraw/zinc/10/75/13/523107513.db2.gz AYTSMMJLJZOQIE-UHFFFAOYSA-N 1 0 265.353 2.374 10 0 CEAERO COc1ccc(-c2cnccn2)cc1C[NH2+]C1CC1 ZINC000069499239 523152277 /nfs/dbraw/zinc/15/22/77/523152277.db2.gz FWXARKPNSFIFSY-UHFFFAOYSA-N 1 0 255.321 2.404 10 0 CEAERO CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccccc1C[NH3+] ZINC000049120937 523223660 /nfs/dbraw/zinc/22/36/60/523223660.db2.gz VGETWBHGNVPSIQ-TZMCWYRMSA-N 1 0 296.436 2.392 10 0 CEAERO Cc1nc2ccccc2nc1NCC[C@@H]1CC[NH2+]C1 ZINC000110798092 534694362 /nfs/dbraw/zinc/69/43/62/534694362.db2.gz RVKNAJUEYNOOAA-LBPRGKRZSA-N 1 0 256.353 2.350 10 0 CEAERO COc1ccc(-c2ncc(C[C@H](C)[NH3+])cn2)cc1OC ZINC000054857889 523237082 /nfs/dbraw/zinc/23/70/82/523237082.db2.gz VJVMDFPQVNGLQX-JTQLQIEISA-N 1 0 273.336 2.051 10 0 CEAERO CCn1c(S[C@@H](c2ccc(C)s2)[C@H](C)[NH3+])n[nH]c1=O ZINC000061594408 523245128 /nfs/dbraw/zinc/24/51/28/523245128.db2.gz QNBVDDQYVHXFBK-WCBMZHEXSA-N 1 0 298.437 2.142 10 0 CEAERO CN(Cc1ccc(F)cc1)c1cc(C(N)=[NH2+])ccn1 ZINC000048875468 523252532 /nfs/dbraw/zinc/25/25/32/523252532.db2.gz ADUQWKKTABKVBD-UHFFFAOYSA-N 1 0 258.300 2.141 10 0 CEAERO COCCCN(CCOC)c1cc(Cl)ccc1C[NH3+] ZINC000062786951 523258664 /nfs/dbraw/zinc/25/86/64/523258664.db2.gz WGXRNPYWFCIKII-UHFFFAOYSA-N 1 0 286.803 2.288 10 0 CEAERO CN(Cc1ccc(O)cc1)C(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000052882298 523268436 /nfs/dbraw/zinc/26/84/36/523268436.db2.gz OBMOYOPSVNXODQ-KRWDZBQOSA-N 1 0 284.359 2.225 10 0 CEAERO CN(Cc1cccc(C(N)=[NH2+])c1)c1ncccc1F ZINC000061942642 523295733 /nfs/dbraw/zinc/29/57/33/523295733.db2.gz DODRCIOVUDHLAT-UHFFFAOYSA-N 1 0 258.300 2.141 10 0 CEAERO CC[C@H]1CN(c2ccc(C(N)=[NH2+])c(Cl)c2)CCO1 ZINC000061856536 523304501 /nfs/dbraw/zinc/30/45/01/523304501.db2.gz GDDOMJJVPRLONO-JTQLQIEISA-N 1 0 267.760 2.239 10 0 CEAERO CO[C@@H](C(=O)NCC[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000050437505 523324413 /nfs/dbraw/zinc/32/44/13/523324413.db2.gz XMJQDHOJRZLWIB-HUUCEWRRSA-N 1 0 276.380 2.023 10 0 CEAERO CC[C@@H]1CCN(Cc2ccc3c(c2)OCO3)CCC[NH2+]1 ZINC000061675033 523332657 /nfs/dbraw/zinc/33/26/57/523332657.db2.gz CJHMVOQBRHHAEN-CQSZACIVSA-N 1 0 276.380 2.379 10 0 CEAERO CC[C@H]1CO[C@H](C)CN1CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052197574 523350847 /nfs/dbraw/zinc/35/08/47/523350847.db2.gz BPDCJLWHLSGCLL-CVEARBPZSA-N 1 0 298.471 2.281 10 0 CEAERO CC[C@H]1CO[C@H](C)CN1[C@@H](C[NH3+])c1ccccc1F ZINC000048914167 523353450 /nfs/dbraw/zinc/35/34/50/523353450.db2.gz IDKUWEDHJQGFDV-XUJVJEKNSA-N 1 0 266.360 2.325 10 0 CEAERO CCn1cc(CC2(C[NH2+]C(C)C)CCOCC2)cn1 ZINC000061674323 523364188 /nfs/dbraw/zinc/36/41/88/523364188.db2.gz UCXOOSDWRNKRHM-UHFFFAOYSA-N 1 0 265.401 2.240 10 0 CEAERO CCn1cc(CN2C[C@H](C(C)C)[NH2+]C[C@@H]2C(C)C)cn1 ZINC000068702842 523374585 /nfs/dbraw/zinc/37/45/85/523374585.db2.gz MMVFARJYSLNYSJ-HZPDHXFCSA-N 1 0 278.444 2.357 10 0 CEAERO CN(Cc1ccnc(C(N)=[NH2+])c1)c1ccc(F)cc1 ZINC000068761750 523451241 /nfs/dbraw/zinc/45/12/41/523451241.db2.gz TWUJJLPEEGSLNW-UHFFFAOYSA-N 1 0 258.300 2.141 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C)CN1Cc1ccc(OC)c(OC)c1 ZINC000068697259 523487744 /nfs/dbraw/zinc/48/77/44/523487744.db2.gz XDBFILUKYXPWHD-TZMCWYRMSA-N 1 0 278.396 2.276 10 0 CEAERO CC[C@@H]1COCCN1c1nc(C)c([C@@H](C)[NH2+]C)s1 ZINC000054904631 523503373 /nfs/dbraw/zinc/50/33/73/523503373.db2.gz AFSZMYHJTQRCDX-MWLCHTKSSA-N 1 0 269.414 2.347 10 0 CEAERO CC[C@@](C)([NH3+])c1noc(CC[C@@H]2CCCCO2)n1 ZINC000069403528 523645962 /nfs/dbraw/zinc/64/59/62/523645962.db2.gz LVWMKYWGHYOYSB-GXFFZTMASA-N 1 0 253.346 2.155 10 0 CEAERO COC(=O)[C@@H](c1ccccc1)N1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602198 523657494 /nfs/dbraw/zinc/65/74/94/523657494.db2.gz MVJUDMCSQWPAAM-WTXIUTQJSA-N 1 0 288.391 2.245 10 0 CEAERO COCCN(CC(C)C)C(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050946633 523670497 /nfs/dbraw/zinc/67/04/97/523670497.db2.gz NPRQMFSVEPMRAT-AWEZNQCLSA-N 1 0 270.417 2.040 10 0 CEAERO COc1ccc(C(=O)N2[C@@H](C)CCC[C@H]2C[NH3+])cc1OC ZINC000070152033 523673731 /nfs/dbraw/zinc/67/37/31/523673731.db2.gz XWAXQLLVBWEUGC-AAEUAGOBSA-N 1 0 292.379 2.046 10 0 CEAERO CC[C@@]1(C(=O)N2CCC[C@H](C)[C@@H]2C)CCC[NH2+]C1 ZINC000062860783 523691947 /nfs/dbraw/zinc/69/19/47/523691947.db2.gz CZLUTSNXGJTZCI-KCQAQPDRSA-N 1 0 252.402 2.413 10 0 CEAERO COc1ccc(C(=O)NCc2cccc(C[NH3+])c2)cc1F ZINC000061668537 523715315 /nfs/dbraw/zinc/71/53/15/523715315.db2.gz SAIBWFQNAVTPSR-UHFFFAOYSA-N 1 0 288.322 2.223 10 0 CEAERO COCCN(CCOC)[C@H](C[NH2+]C(C)C)c1ccccc1 ZINC000052571524 523724161 /nfs/dbraw/zinc/72/41/61/523724161.db2.gz NKNFASAUHSIIHR-QGZVFWFLSA-N 1 0 294.439 2.321 10 0 CEAERO CCn1nccc1[C@H](Cc1ccccc1OC)[NH2+]C ZINC000069471393 523746046 /nfs/dbraw/zinc/74/60/46/523746046.db2.gz KKIITLNNJUWHPI-ZDUSSCGKSA-N 1 0 259.353 2.415 10 0 CEAERO COCCN(c1ccc(C(N)=[NH2+])cc1Cl)[C@@H](C)COC ZINC000062794243 523782570 /nfs/dbraw/zinc/78/25/70/523782570.db2.gz ZEOXYRGEYCSOJN-JTQLQIEISA-N 1 0 299.802 2.112 10 0 CEAERO COc1ccc(C)cc1Cn1cc(C[C@H](C)[NH3+])cn1 ZINC000054741432 523816207 /nfs/dbraw/zinc/81/62/07/523816207.db2.gz LLCPIHNGHGDPJX-LBPRGKRZSA-N 1 0 259.353 2.138 10 0 CEAERO C[N@@H+]1CCC[C@H](Nc2cccc(Br)n2)C1 ZINC000069017782 523843934 /nfs/dbraw/zinc/84/39/34/523843934.db2.gz FQPBGIJULWRNKM-VIFPVBQESA-N 1 0 270.174 2.350 10 0 CEAERO COC(=O)[C@H](C(C)C)n1c(C)[nH+]c2cc(N)ccc21 ZINC000052854805 523849670 /nfs/dbraw/zinc/84/96/70/523849670.db2.gz JEFGOOJBYWSPNW-ZDUSSCGKSA-N 1 0 261.325 2.297 10 0 CEAERO COc1ccc(C)cc1[C@@H](C)NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000163969286 523851121 /nfs/dbraw/zinc/85/11/21/523851121.db2.gz LJZCBRKSSZUVOU-NWDGAFQWSA-N 1 0 276.380 2.036 10 0 CEAERO CC[C@H](C)CNS(=O)(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000054489118 523885255 /nfs/dbraw/zinc/88/52/55/523885255.db2.gz VWMXNPKWDPVLHW-QWRGUYRKSA-N 1 0 270.398 2.031 10 0 CEAERO CC[C@H](C)CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C)c1 ZINC000054489144 523886102 /nfs/dbraw/zinc/88/61/02/523886102.db2.gz 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C[C@@H]1CN(Cc2ncccn2)[C@H](c2ccccc2)C[NH2+]1 ZINC000068698997 525034610 /nfs/dbraw/zinc/03/46/10/525034610.db2.gz JMOYQMCFDCEMGL-HIFRSBDPSA-N 1 0 268.364 2.012 10 0 CEAERO Cc1ccc(NC(=O)C[NH2+][C@@H](C)CN2CCCCC2)cc1 ZINC000049501861 525062584 /nfs/dbraw/zinc/06/25/84/525062584.db2.gz JDIULCVZGNDDDP-HNNXBMFYSA-N 1 0 289.423 2.398 10 0 CEAERO C[C@@H]1CN(c2ncc(C[NH2+]C3CC3)s2)[C@H](C)CO1 ZINC000054903462 525073680 /nfs/dbraw/zinc/07/36/80/525073680.db2.gz XPEBZMRCAUTKRM-NXEZZACHSA-N 1 0 267.398 2.009 10 0 CEAERO COc1ncnc(OC)c1C[NH2+][C@H](C)Cc1ccsc1 ZINC000049156149 525084048 /nfs/dbraw/zinc/08/40/48/525084048.db2.gz GZXLBKAQVLTMRN-SNVBAGLBSA-N 1 0 293.392 2.276 10 0 CEAERO C[C@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)NCCC1CCCC1 ZINC000055130601 525086817 /nfs/dbraw/zinc/08/68/17/525086817.db2.gz OWJQVPBFVTZWNF-XBFCOCLRSA-N 1 0 252.402 2.446 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C)N1C(=O)c1cc(Cl)ccc1F ZINC000069133049 525094816 /nfs/dbraw/zinc/09/48/16/525094816.db2.gz ZGOOPILTPSSNDN-RKDXNWHRSA-N 1 0 270.735 2.302 10 0 CEAERO Cc1ccccc1CN(C)C(=O)C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000183191725 525120204 /nfs/dbraw/zinc/12/02/04/525120204.db2.gz ANVVPXAMJNEQRX-ZBFHGGJFSA-N 1 0 290.407 2.111 10 0 CEAERO C[C@@H]1COCCN1Cc1ccoc1C[NH2+]C(C)(C)C ZINC000052476115 525126630 /nfs/dbraw/zinc/12/66/30/525126630.db2.gz UBGBTOBZAVLNOW-GFCCVEGCSA-N 1 0 266.385 2.388 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(F)cc1 ZINC000049511949 525145024 /nfs/dbraw/zinc/14/50/24/525145024.db2.gz JCXYGHWZDUZHMP-NTZNESFSSA-N 1 0 264.344 2.391 10 0 CEAERO C[C@]([NH3+])(C(=O)Nc1ccc2c[nH]nc2c1)c1ccccc1 ZINC000052881937 525147007 /nfs/dbraw/zinc/14/70/07/525147007.db2.gz BYZRAOYAYCBPMU-MRXNPFEDSA-N 1 0 280.331 2.376 10 0 CEAERO C[C@]([NH3+])(CN1CCCSCC1)c1ccccc1 ZINC000052883447 525148953 /nfs/dbraw/zinc/14/89/53/525148953.db2.gz APOIIBALJROTTN-AWEZNQCLSA-N 1 0 250.411 2.299 10 0 CEAERO COc1ccc([C@@H](C)O)cc1CN1CCC[C@@H]1C[NH+](C)C ZINC000061652548 525168765 /nfs/dbraw/zinc/16/87/65/525168765.db2.gz LECLNKIQMYYPPU-CZUORRHYSA-N 1 0 292.423 2.275 10 0 CEAERO C[C@H](NC(=O)[C@]1(C)CCC[NH2+]C1)c1ccc(F)cc1 ZINC000062859044 525187726 /nfs/dbraw/zinc/18/77/26/525187726.db2.gz YWCVGKNGXMIQGB-XHDPSFHLSA-N 1 0 264.344 2.393 10 0 CEAERO COc1ccc([C@@H]([NH3+])C2CCOCC2)cc1OC ZINC000061671349 525190114 /nfs/dbraw/zinc/19/01/14/525190114.db2.gz FFWULQFCHFCQCW-AWEZNQCLSA-N 1 0 251.326 2.130 10 0 CEAERO Cc1ccc(NC(=O)[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000062112082 525223056 /nfs/dbraw/zinc/22/30/56/525223056.db2.gz XDQRNYFVWUXUKZ-VIFPVBQESA-N 1 0 283.169 2.306 10 0 CEAERO COc1ccc([C@@H](O)[C@H]([NH3+])Cc2ccccc2)cc1O ZINC000054686075 525209765 /nfs/dbraw/zinc/20/97/65/525209765.db2.gz IOEXBINGFLNFOA-CZUORRHYSA-N 1 0 273.332 2.004 10 0 CEAERO C[C@]1(C(=O)Nc2cccc(-c3nnco3)c2)CCC[NH2+]C1 ZINC000062859226 525221730 /nfs/dbraw/zinc/22/17/30/525221730.db2.gz ADYXXRACBWFWPR-HNNXBMFYSA-N 1 0 286.335 2.065 10 0 CEAERO Cc1ccccc1NC(=O)C[NH2+][C@@H](C)CN1CCCCC1 ZINC000049501870 525238301 /nfs/dbraw/zinc/23/83/01/525238301.db2.gz CRSUXYJRBVFRLL-HNNXBMFYSA-N 1 0 289.423 2.398 10 0 CEAERO Cc1cc(NC[C@H]([NH3+])C2CC2)ncc1Br ZINC000163964079 525275984 /nfs/dbraw/zinc/27/59/84/525275984.db2.gz FZYMTNKQFKAFKD-JTQLQIEISA-N 1 0 270.174 2.302 10 0 CEAERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc(I)o1 ZINC000052274101 525329505 /nfs/dbraw/zinc/32/95/05/525329505.db2.gz URDGYIVMVUAHSL-SVRRBLITSA-N 1 0 277.105 2.382 10 0 CEAERO Cc1ccccc1[C@@H](C)NC(=O)c1cc[nH+]c(NN)c1 ZINC000051119698 525358862 /nfs/dbraw/zinc/35/88/62/525358862.db2.gz POAOUDDMLUUZMV-LLVKDONJSA-N 1 0 270.336 2.167 10 0 CEAERO Cc1ccccc1[C@@H](C)[NH2+][C@H]1CC(=O)N(C(C)C)C1=O ZINC000049525496 525361502 /nfs/dbraw/zinc/36/15/02/525361502.db2.gz WHOLPRDHJKVHEA-OCCSQVGLSA-N 1 0 274.364 2.182 10 0 CEAERO Cc1ccc(OC[C@@]([NH2+]C(C)C)(C(N)=O)C2CC2)cc1 ZINC000069196049 525434615 /nfs/dbraw/zinc/43/46/15/525434615.db2.gz WJJHFADVZSYBCV-INIZCTEOSA-N 1 0 276.380 2.006 10 0 CEAERO CSCCC[NH2+]C[C@@H](O)CO[C@H](C)CC(C)C ZINC000069446375 525477018 /nfs/dbraw/zinc/47/70/18/525477018.db2.gz VQUDKACIZBYCKL-CHWSQXEVSA-N 1 0 263.447 2.141 10 0 CEAERO Cc1cc([C@@H]2CCCN2C(=O)[C@@]2(C)CCC[NH2+]C2)on1 ZINC000062857500 525492857 /nfs/dbraw/zinc/49/28/57/525492857.db2.gz WGLWICXVFNRRNI-WFASDCNBSA-N 1 0 277.368 2.036 10 0 CEAERO C[C@H](NS(=O)(=O)C[C@H]1CCCC[NH2+]1)C1CCCCC1 ZINC000052344023 525502007 /nfs/dbraw/zinc/50/20/07/525502007.db2.gz OQCRSHTYZFBINU-GXTWGEPZSA-N 1 0 288.457 2.017 10 0 CEAERO CSCC[NH2+]C[C@H](O)COc1ccc(Cl)c(C)c1 ZINC000069446224 525510281 /nfs/dbraw/zinc/51/02/81/525510281.db2.gz FAVNPNSHVCJQDJ-NSHDSACASA-N 1 0 289.828 2.341 10 0 CEAERO CSCC[NH2+]C[C@H](O)COCc1ccc(Cl)cc1 ZINC000069442194 525511266 /nfs/dbraw/zinc/51/12/66/525511266.db2.gz JHXTYAGAAXINEE-ZDUSSCGKSA-N 1 0 289.828 2.170 10 0 CEAERO Cc1cc([C@H](C)[NH2+][C@H]2CCCS(=O)(=O)C2)c(C)o1 ZINC000069137584 525532676 /nfs/dbraw/zinc/53/26/76/525532676.db2.gz BSGROWUIKKPXOG-JQWIXIFHSA-N 1 0 271.382 2.124 10 0 CEAERO Cc1ccn(-c2cc(Br)ccc2C[NH3+])n1 ZINC000052884783 525556124 /nfs/dbraw/zinc/55/61/24/525556124.db2.gz ICBBPCFQSNDGBF-UHFFFAOYSA-N 1 0 266.142 2.402 10 0 CEAERO CSCC[C@H]([NH3+])C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000049500046 525587220 /nfs/dbraw/zinc/58/72/20/525587220.db2.gz KVJYTEZMWWOLOD-QMMMGPOBSA-N 1 0 287.454 2.460 10 0 CEAERO C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)c1ccc(-n2cncn2)cc1 ZINC000183675489 525587988 /nfs/dbraw/zinc/58/79/88/525587988.db2.gz MDURWOVGUGUULV-GLQYFDAESA-N 1 0 286.379 2.077 10 0 CEAERO C[C@H](Nc1ccc(C(N)=O)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000062791368 525648353 /nfs/dbraw/zinc/64/83/53/525648353.db2.gz ZHDXTXHJISXGFV-ONGXEEELSA-N 1 0 281.787 2.239 10 0 CEAERO CSC[C@H](C)C[NH2+]CC(=O)NC1CCCCC1 ZINC000069447425 525680787 /nfs/dbraw/zinc/68/07/87/525680787.db2.gz JYTTUNFYWBPHRB-LLVKDONJSA-N 1 0 258.431 2.024 10 0 CEAERO C[C@@H]([NH2+][C@H]1CCc2ccccc2C1)C(=O)N1CCCC1 ZINC000055420794 525692643 /nfs/dbraw/zinc/69/26/43/525692643.db2.gz ANVKJAQQJIZMMC-CJNGLKHVSA-N 1 0 272.392 2.144 10 0 CEAERO C[C@H](O)c1cccc(NC(=O)N2CCC[C@H]2C[NH+](C)C)c1 ZINC000061655758 525859220 /nfs/dbraw/zinc/85/92/20/525859220.db2.gz BKBCOMNOUFHGGB-WFASDCNBSA-N 1 0 291.395 2.298 10 0 CEAERO Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(C[NH3+])cc2)o1 ZINC000049204526 525933229 /nfs/dbraw/zinc/93/32/29/525933229.db2.gz RGWADZOOPAITJL-NSHDSACASA-N 1 0 294.376 2.086 10 0 CEAERO C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H]1CCCC[C@@H]1[NH3+] ZINC000051018582 525948224 /nfs/dbraw/zinc/94/82/24/525948224.db2.gz NFPRYPZDKIUROT-BPNCWPANSA-N 1 0 296.798 2.493 10 0 CEAERO Cc1ccc([C@H](C[NH3+])Sc2ncnc3[nH]cnc32)o1 ZINC000051036334 525953912 /nfs/dbraw/zinc/95/39/12/525953912.db2.gz IIXRETSRKYLJTG-VIFPVBQESA-N 1 0 275.337 2.046 10 0 CEAERO COc1cccc(CN2C[C@@H](C)[NH2+]CC23CCCC3)n1 ZINC000068698675 525954273 /nfs/dbraw/zinc/95/42/73/525954273.db2.gz XGVVOJHZJXVZTE-CYBMUJFWSA-N 1 0 275.396 2.197 10 0 CEAERO C[C@H]([C@@H](O)c1ccccc1)[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061652640 526021942 /nfs/dbraw/zinc/02/19/42/526021942.db2.gz KCFVXUVSHDGFKU-FVQBIDKESA-N 1 0 262.397 2.135 10 0 CEAERO COc1cccc(N(C)c2ncccc2C(N)=[NH2+])c1 ZINC000049969982 526134265 /nfs/dbraw/zinc/13/42/65/526134265.db2.gz FWWUEGIVLPTUBF-UHFFFAOYSA-N 1 0 256.309 2.142 10 0 CEAERO C[C@@H](c1nc2ccccc2n1C)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000070144965 526173706 /nfs/dbraw/zinc/17/37/06/526173706.db2.gz CCSQSPSMZIBBEE-AGIUHOORSA-N 1 0 272.396 2.303 10 0 CEAERO Cc1cc(C(=O)CN(C)C2CC[NH2+]CC2)c(C)s1 ZINC000050158769 526203080 /nfs/dbraw/zinc/20/30/80/526203080.db2.gz VLEOYXUWBBXJAG-UHFFFAOYSA-N 1 0 266.410 2.231 10 0 CEAERO Cc1cncc([C@@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000184406578 526213662 /nfs/dbraw/zinc/21/36/62/526213662.db2.gz BGQMEUZJSPBDOB-GDBMZVCRSA-N 1 0 297.406 2.500 10 0 CEAERO C[C@H]1CC=CC[C@H]1COCC[NH2+]C[C@@H]1CCCO1 ZINC000053561066 526236973 /nfs/dbraw/zinc/23/69/73/526236973.db2.gz JAYKXYNAOYOCSU-KKUMJFAQSA-N 1 0 253.386 2.374 10 0 CEAERO Cc1ccc(C)c(-c2cc(N3CC[NH2+]CC3)n[nH]2)c1 ZINC000062669946 526255387 /nfs/dbraw/zinc/25/53/87/526255387.db2.gz HDYQDDZHLBVZIS-UHFFFAOYSA-N 1 0 256.353 2.103 10 0 CEAERO C[C@H]1CCCC[C@H]1[N@H+](C)CC1(CO)CCOCC1 ZINC000052199770 526261348 /nfs/dbraw/zinc/26/13/48/526261348.db2.gz REYMBVLAVYYHJB-UONOGXRCSA-N 1 0 255.402 2.286 10 0 CEAERO Cc1nn(CCOCCC(C)C)c(C)c1C[C@H](C)[NH3+] ZINC000054741118 526281582 /nfs/dbraw/zinc/28/15/82/526281582.db2.gz UUYWCTMBNNRVJG-LBPRGKRZSA-N 1 0 267.417 2.452 10 0 CEAERO Cc1nn([C@H](C[NH3+])C(C)C)c(C)c1Br ZINC000052573642 526306313 /nfs/dbraw/zinc/30/63/13/526306313.db2.gz OZNIFECTCWDHSZ-SECBINFHSA-N 1 0 260.179 2.418 10 0 CEAERO Cc1nn([C@H]2CCC[C@H]2O)c(C)c1C[NH2+]C(C)C ZINC000054599510 526306812 /nfs/dbraw/zinc/30/68/12/526306812.db2.gz JKFWKOQPECFHKR-UONOGXRCSA-N 1 0 251.374 2.084 10 0 CEAERO c1ccc(C[NH2+]CCN2CCCSCC2)cc1 ZINC000053446098 526472824 /nfs/dbraw/zinc/47/28/24/526472824.db2.gz FZUZEGOIOUTABL-UHFFFAOYSA-N 1 0 250.411 2.215 10 0 CEAERO c1ccc(Cc2noc(CC[C@H]3CCCC[NH2+]3)n2)nc1 ZINC000050928041 526478253 /nfs/dbraw/zinc/47/82/53/526478253.db2.gz RVDKBJUYTMLBNT-GFCCVEGCSA-N 1 0 272.352 2.130 10 0 CEAERO c1ccc([C@H]2CN(Cc3cccnc3)CC[NH2+]2)cc1 ZINC000068693513 526499232 /nfs/dbraw/zinc/49/92/32/526499232.db2.gz FEZJMBNAICLMOE-MRXNPFEDSA-N 1 0 253.349 2.228 10 0 CEAERO c1cn(-c2ccccc2)nc1C[NH2+][C@H]1CN2CCC1CC2 ZINC000061640930 526527305 /nfs/dbraw/zinc/52/73/05/526527305.db2.gz LTZUUVGQOKSNMV-KRWDZBQOSA-N 1 0 282.391 2.056 10 0 CEAERO O=C(CC[C@H]1CCCC[NH2+]1)N1CCc2ccccc2C1 ZINC000050939829 526564286 /nfs/dbraw/zinc/56/42/86/526564286.db2.gz CXBNXLVEQKQXKC-MRXNPFEDSA-N 1 0 272.392 2.494 10 0 CEAERO c1ncc(C[NH2+]Cc2ccc3c(c2)OCCO3)s1 ZINC000054770121 526612554 /nfs/dbraw/zinc/61/25/54/526612554.db2.gz IPOSFKFBFRSXMS-UHFFFAOYSA-N 1 0 262.334 2.204 10 0 CEAERO Cc1nc(-c2cnccn2)nc(C)c1C[NH2+]C(C)(C)C ZINC000054854469 526620038 /nfs/dbraw/zinc/62/00/38/526620038.db2.gz LKXWNBCORTVFFI-UHFFFAOYSA-N 1 0 271.368 2.439 10 0 CEAERO C[NH2+]Cc1cc(N2C[C@H]3CC[C@@H](C2)O3)nc2ccccc12 ZINC000090907696 536468925 /nfs/dbraw/zinc/46/89/25/536468925.db2.gz LWHBBLSYEZKPAO-OKILXGFUSA-N 1 0 283.375 2.322 10 0 CEAERO NC(=[NH2+])CCN(Cc1ccc(F)cc1F)C1CC1 ZINC000050884958 526816854 /nfs/dbraw/zinc/81/68/54/526816854.db2.gz WXAMHYNZDMRFPC-UHFFFAOYSA-N 1 0 253.296 2.255 10 0 CEAERO NC(=[NH2+])c1c(Cl)cccc1-n1cc(Cl)cn1 ZINC000052906471 526818829 /nfs/dbraw/zinc/81/88/29/526818829.db2.gz JAYYSWCOPSYFSQ-UHFFFAOYSA-N 1 0 255.108 2.463 10 0 CEAERO NC(=[NH2+])c1ncccc1CN1CCCc2ccccc21 ZINC000061657849 526824112 /nfs/dbraw/zinc/82/41/12/526824112.db2.gz FNZFZOQRWXTEOA-UHFFFAOYSA-N 1 0 266.348 2.318 10 0 CEAERO NC(=[NH2+])c1ncccc1Cn1cc(-c2ccccc2)cn1 ZINC000061658483 526825427 /nfs/dbraw/zinc/82/54/27/526825427.db2.gz PDBYUFWLPRYDCF-UHFFFAOYSA-N 1 0 277.331 2.277 10 0 CEAERO Cc1nc(CN(C)C(=O)[C@@H](C[NH3+])c2ccccc2)cs1 ZINC000061613078 526835132 /nfs/dbraw/zinc/83/51/32/526835132.db2.gz QWZKRJBWPDMFAI-AWEZNQCLSA-N 1 0 289.404 2.152 10 0 CEAERO Cc1nc(CN(C)[C@@H](C)CC[NH2+]C2CC2)cs1 ZINC000052506038 526844823 /nfs/dbraw/zinc/84/48/23/526844823.db2.gz QQHWDYJLDLQUOG-JTQLQIEISA-N 1 0 253.415 2.414 10 0 CEAERO Cc1sc(-c2ccccc2)nc1C(=O)NCC[NH+](C)C ZINC000062619571 526860957 /nfs/dbraw/zinc/86/09/57/526860957.db2.gz VPOSPLDULIFLNN-UHFFFAOYSA-N 1 0 289.404 2.410 10 0 CEAERO Cc1nc(CN[C@@H](C)C[NH+]2CCCCC2)oc1C ZINC000049500999 526889964 /nfs/dbraw/zinc/88/99/64/526889964.db2.gz QKMWRZAMWGWZIV-NSHDSACASA-N 1 0 251.374 2.255 10 0 CEAERO NC(=O)c1ccc(OCC[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000062791690 527072790 /nfs/dbraw/zinc/07/27/90/527072790.db2.gz OMNODWIWNAFPFV-JTQLQIEISA-N 1 0 282.771 2.207 10 0 CEAERO Cn1c2ccc([C@H]([NH3+])CC[C@@H]3CCCCO3)cc2oc1=O ZINC000069393548 527106213 /nfs/dbraw/zinc/10/62/13/527106213.db2.gz AJUZHWBUDLYOPX-QWHCGFSZSA-N 1 0 290.363 2.481 10 0 CEAERO NC(=S)c1ccc(NCC[NH+]2CCCC2)c(Cl)c1 ZINC000062796154 527120198 /nfs/dbraw/zinc/12/01/98/527120198.db2.gz IGBBQOFPEMMFBG-UHFFFAOYSA-N 1 0 283.828 2.482 10 0 CEAERO NC(=S)c1ccc([C@H](O)C[NH+]2Cc3ccccc3C2)cc1 ZINC000050911345 527120630 /nfs/dbraw/zinc/12/06/30/527120630.db2.gz UAEZAQWSCIGTQW-MRXNPFEDSA-N 1 0 298.411 2.370 10 0 CEAERO Cc1nc2cc(N)ccc2n1C[C@H]1CCCC[N@H+]1C ZINC000052854196 527122667 /nfs/dbraw/zinc/12/26/67/527122667.db2.gz ADZMWLLNNSGEPV-CYBMUJFWSA-N 1 0 258.369 2.411 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccn(-c2ccccc2)n1 ZINC000061641301 527147069 /nfs/dbraw/zinc/14/70/69/527147069.db2.gz OMXSKRYJZKLZQE-FUCXHRTASA-N 1 0 282.391 2.326 10 0 CEAERO [NH3+]CCCCCC(=O)Nc1nc2c(s1)CCCC2 ZINC000049559539 527173188 /nfs/dbraw/zinc/17/31/88/527173188.db2.gz OAMWYOLYNZJQHI-UHFFFAOYSA-N 1 0 267.398 2.480 10 0 CEAERO [NH3+]CC[C@@H]1CCC[C@@H](C(=O)NCC2CCCC2)C1 ZINC000055147073 527193495 /nfs/dbraw/zinc/19/34/95/527193495.db2.gz HUEYQKSORJERCW-GXTWGEPZSA-N 1 0 252.402 2.448 10 0 CEAERO NC(=O)c1cc(Cl)ccc1N1CCC[C@H](CC[NH3+])C1 ZINC000070171322 527194304 /nfs/dbraw/zinc/19/43/04/527194304.db2.gz YHVBFUUGTAWYDN-SNVBAGLBSA-N 1 0 281.787 2.004 10 0 CEAERO [NH3+]CCc1ccc2ccc(Br)cc2n1 ZINC000062624125 527197690 /nfs/dbraw/zinc/19/76/90/527197690.db2.gz AGJINAPNTYQXIS-UHFFFAOYSA-N 1 0 251.127 2.499 10 0 CEAERO [NH3+]CCc1cnn(Cc2ccc(F)c(Br)c2)c1 ZINC000054740839 527197862 /nfs/dbraw/zinc/19/78/62/527197862.db2.gz RKGHRNJRVFRATH-UHFFFAOYSA-N 1 0 298.159 2.334 10 0 CEAERO [NH3+]C[C@@H]1CC[C@@H](COc2ccc3c(c2)CCCC3)O1 ZINC000052706831 527218049 /nfs/dbraw/zinc/21/80/49/527218049.db2.gz TXUPENJRSPCYML-HOTGVXAUSA-N 1 0 261.365 2.451 10 0 CEAERO Cn1cc(C[C@@H]([NH3+])c2ccccc2Br)cn1 ZINC000050543198 527229702 /nfs/dbraw/zinc/22/97/02/527229702.db2.gz SEKRBPDPIBJVAY-GFCCVEGCSA-N 1 0 280.169 2.425 10 0 CEAERO Cn1cc(C[C@H]([NH3+])Cc2ccc(Br)cc2)cn1 ZINC000050542425 527232031 /nfs/dbraw/zinc/23/20/31/527232031.db2.gz RJUMYDSEPGFSIU-CYBMUJFWSA-N 1 0 294.196 2.295 10 0 CEAERO [NH3+]Cc1cc(Br)ccc1OCCn1cccn1 ZINC000049313552 527246161 /nfs/dbraw/zinc/24/61/61/527246161.db2.gz YAMWHBWKJHAJRT-UHFFFAOYSA-N 1 0 296.168 2.183 10 0 CEAERO [NH3+]Cc1cc2c(nc1N1CCC[C@@H]1CCCO)CCCC2 ZINC000052756771 527250756 /nfs/dbraw/zinc/25/07/56/527250756.db2.gz AGYORQPAYHPUMR-OAHLLOKOSA-N 1 0 289.423 2.160 10 0 CEAERO [NH3+]Cc1oc2ccccc2c1COC[C@@H]1CCOC1 ZINC000052704352 527268250 /nfs/dbraw/zinc/26/82/50/527268250.db2.gz UBXWYVIVIHNASQ-LLVKDONJSA-N 1 0 261.321 2.445 10 0 CEAERO NNc1ccc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)c[nH+]1 ZINC000051090765 527275235 /nfs/dbraw/zinc/27/52/35/527275235.db2.gz ZSKOYEWKRNNKMP-WCQYABFASA-N 1 0 274.368 2.020 10 0 CEAERO NNc1cc(Cn2ccnc2-c2cccs2)cc[nH+]1 ZINC000052725813 527275466 /nfs/dbraw/zinc/27/54/66/527275466.db2.gz FWEYQLSIUMCYDI-UHFFFAOYSA-N 1 0 271.349 2.341 10 0 CEAERO Cc1ncc(COc2ccc3c(c2)OC[C@H]3[NH3+])s1 ZINC000062803416 527283471 /nfs/dbraw/zinc/28/34/71/527283471.db2.gz NUUIMZPVMYPJOS-GFCCVEGCSA-N 1 0 262.334 2.423 10 0 CEAERO NNc1[nH+]cc(C(=O)NCc2ccc(F)cc2)cc1Cl ZINC000051096484 527287519 /nfs/dbraw/zinc/28/75/19/527287519.db2.gz PKGIFUSSPTXRIK-UHFFFAOYSA-N 1 0 294.717 2.090 10 0 CEAERO NNc1[nH+]cccc1CN1CCCc2ccccc2C1 ZINC000062945335 527288288 /nfs/dbraw/zinc/28/82/88/527288288.db2.gz OMXVTWULMGMFHY-UHFFFAOYSA-N 1 0 268.364 2.316 10 0 CEAERO NNc1[nH+]cccc1COc1ccc(F)cc1F ZINC000052728321 527288534 /nfs/dbraw/zinc/28/85/34/527288534.db2.gz PUYODGXKZRKACH-UHFFFAOYSA-N 1 0 251.236 2.224 10 0 CEAERO NNc1[nH+]cccc1COc1ccc2c(c1)CCC2 ZINC000052729534 527288632 /nfs/dbraw/zinc/28/86/32/527288632.db2.gz SGVYRDXQHKXLTQ-UHFFFAOYSA-N 1 0 255.321 2.435 10 0 CEAERO O=S1(=O)CC[C@H]([C@H](C[NH2+]C2CC2)Cc2cccs2)C1 ZINC000052951599 527312997 /nfs/dbraw/zinc/31/29/97/527312997.db2.gz NFLLUWJXFJKAFZ-RYUDHWBXSA-N 1 0 299.461 2.094 10 0 CEAERO [NH3+][C@@H](c1cc(Cl)sc1Cl)[C@@H]1COCCO1 ZINC000055299141 527337081 /nfs/dbraw/zinc/33/70/81/527337081.db2.gz YSGRDYIXINLHID-XPUUQOCRSA-N 1 0 268.165 2.470 10 0 CEAERO [NH3+][C@@H](c1ccc2c(c1)OCCCO2)c1ccccn1 ZINC000055205657 527339642 /nfs/dbraw/zinc/33/96/42/527339642.db2.gz SWCIYVJVQDQAOV-HNNXBMFYSA-N 1 0 256.305 2.291 10 0 CEAERO Cc1nccc(N2CCC(C[NH2+]CC(C)C)CC2)n1 ZINC000054937547 527344756 /nfs/dbraw/zinc/34/47/56/527344756.db2.gz XXKWRTJAZKKTFK-UHFFFAOYSA-N 1 0 262.401 2.247 10 0 CEAERO [NH3+][C@@H]1COc2cc(OCCCOCC(F)(F)F)ccc21 ZINC000062803508 527375862 /nfs/dbraw/zinc/37/58/62/527375862.db2.gz ILTGCBVMDSPGQH-LLVKDONJSA-N 1 0 291.269 2.427 10 0 CEAERO [NH3+][C@H](C[C@@H]1CCCO1)c1ccc2c(c1)OCCCO2 ZINC000055205968 527388187 /nfs/dbraw/zinc/38/81/87/527388187.db2.gz AICYIAPVZDQVBU-QWHCGFSZSA-N 1 0 263.337 2.417 10 0 CEAERO [NH3+][C@H]1CC[C@@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C1 ZINC000052017784 527415044 /nfs/dbraw/zinc/41/50/44/527415044.db2.gz RVZCMXIUPXTTAR-AGIUHOORSA-N 1 0 268.364 2.193 10 0 CEAERO Nc1cnn(CC[N@H+](Cc2cccs2)C2CC2)c1 ZINC000050614812 527538854 /nfs/dbraw/zinc/53/88/54/527538854.db2.gz ZNJINALJLBTHIW-UHFFFAOYSA-N 1 0 262.382 2.191 10 0 CEAERO Cn1nccc1[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000069020281 527623621 /nfs/dbraw/zinc/62/36/21/527623621.db2.gz JXMXFTGCVZYSKL-NSHDSACASA-N 1 0 266.142 2.231 10 0 CEAERO OCc1ccc(N2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000062032444 527634661 /nfs/dbraw/zinc/63/46/61/527634661.db2.gz ANBLSLDSOYFNPI-UHFFFAOYSA-N 1 0 274.408 2.491 10 0 CEAERO Cc1nn(C)c(N(CCCO)C(C)C)c1C[NH2+]C(C)(C)C ZINC000062737644 527670539 /nfs/dbraw/zinc/67/05/39/527670539.db2.gz FDSCHVUQNLHSFB-UHFFFAOYSA-N 1 0 296.459 2.214 10 0 CEAERO Cc1nn(C)c(N2C[C@@H](C)O[C@H](C)C2)c1C[NH2+]CC(C)C ZINC000062734261 527676939 /nfs/dbraw/zinc/67/69/39/527676939.db2.gz CLZKAMWOHBKEGK-CHWSQXEVSA-N 1 0 294.443 2.088 10 0 CEAERO Cc1nn(C)c(N2C[C@@H](C)O[C@@H](C)C2)c1C[NH2+]C(C)(C)C ZINC000062734257 527677013 /nfs/dbraw/zinc/67/70/13/527677013.db2.gz NOCOEJBTQVLZNU-TXEJJXNPSA-N 1 0 294.443 2.230 10 0 CEAERO FC(F)(F)c1ccn(C[C@H]2CC[C@@H](C[NH2+]C3CC3)O2)n1 ZINC000052592671 527687585 /nfs/dbraw/zinc/68/75/85/527687585.db2.gz TXFWVPOZGJHMSA-WDEREUQCSA-N 1 0 289.301 2.202 10 0 CEAERO CCO[C@@H]1C[C@H]1C(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000178876287 527964774 /nfs/dbraw/zinc/96/47/74/527964774.db2.gz CLPAENPQKFTQAX-OWCLPIDISA-N 1 0 290.407 2.351 10 0 CEAERO CCC[NH2+]CC1CCN(c2cc(OC)nc(C)n2)CC1 ZINC000090787275 535157429 /nfs/dbraw/zinc/15/74/29/535157429.db2.gz ZIWJJSXGINDTIE-UHFFFAOYSA-N 1 0 278.400 2.010 10 0 CEAERO CC[C@@H]1C[NH2+]CCN1c1ncnc2sc(C)c(C)c21 ZINC000110678134 535825041 /nfs/dbraw/zinc/82/50/41/535825041.db2.gz CJIWFURLJTZEPQ-LLVKDONJSA-N 1 0 276.409 2.496 10 0 CEAERO COc1cccc2c1N(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)CCC2 ZINC000070576801 536958456 /nfs/dbraw/zinc/95/84/56/536958456.db2.gz BOCNHTYHDHOCAM-KGLIPLIRSA-N 1 0 288.391 2.492 10 0 CEAERO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)C[C@@H]1CCCN1C ZINC000211686099 538742016 /nfs/dbraw/zinc/74/20/16/538742016.db2.gz FLQROAJTXBVCQU-ZFWWWQNUSA-N 1 0 262.397 2.349 10 0 CEAERO CCc1ccc(CNC(=O)C[C@@H]([NH3+])C(C)C)s1 ZINC000225809850 538880953 /nfs/dbraw/zinc/88/09/53/538880953.db2.gz NPJXWMNYXATDCL-GFCCVEGCSA-N 1 0 254.399 2.300 10 0 CEAERO Cc1sc([C@@H]2CC[C@@H](CC[NH3+])C[NH2+]2)cc1C(=O)[O-] ZINC000757232446 574513675 /nfs/dbraw/zinc/51/36/75/574513675.db2.gz IHROVNMPOPOHKA-ONGXEEELSA-N 1 0 268.382 2.144 10 0 CEAERO CC(C)[C@@H]1O[C@]2(CN3CCC2CC3)[NH2+]CC1(C)C ZINC000757143271 574510325 /nfs/dbraw/zinc/51/03/25/574510325.db2.gz MKWJVAXFVNOIMF-ZFWWWQNUSA-N 1 0 252.402 2.079 10 0 CEAERO CC1(C)CC2(CC(C)(C)[NH2+]1)NCC[C@@H](C1CC1)O2 ZINC000757145947 574510383 /nfs/dbraw/zinc/51/03/83/574510383.db2.gz JHXBJMVGGICTIM-LBPRGKRZSA-N 1 0 252.402 2.412 10 0 CEAERO [NH3+]C[C@H]1CCN1Cc1cccc(F)c1Br ZINC000757154811 574511173 /nfs/dbraw/zinc/51/11/73/574511173.db2.gz BNIUPTJBRXXWBO-SECBINFHSA-N 1 0 273.149 2.121 10 0 CEAERO Cc1cc(Cl)ccc1C[NH2+][C@@H]1CCCN(CCO)C1 ZINC000384694281 574842080 /nfs/dbraw/zinc/84/20/80/574842080.db2.gz IZRBARXHANVEKB-OAHLLOKOSA-N 1 0 282.815 2.195 10 0 CEAERO C[C@H](C(=O)N[C@]12CC[NH2+][C@@H]1CCCC2)C(C)(C)C ZINC000725272012 567924911 /nfs/dbraw/zinc/92/49/11/567924911.db2.gz LRUTWNQZCCLHOA-LALPHHSUSA-N 1 0 252.402 2.460 10 0 CEAERO CC(C)(C)OC(=O)N1CC(c2cnsc2)=C[C@H]([NH3+])C1 ZINC000675077787 567956360 /nfs/dbraw/zinc/95/63/60/567956360.db2.gz ISCVVXIILVLQOZ-NSHDSACASA-N 1 0 281.381 2.105 10 0 CEAERO CN(C(=O)n1ccnc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309704553 625281314 /nfs/dbraw/zinc/28/13/14/625281314.db2.gz HJRFFDVXWSPKTE-HNNXBMFYSA-N 1 0 284.363 2.058 10 0 CEAERO C[C@@H]1CN(C(=O)Cc2cccc3ccccc32)C[C@@H]1[NH3+] ZINC000235403427 625397070 /nfs/dbraw/zinc/39/70/70/625397070.db2.gz JVXFLCCMDINIQR-WBMJQRKESA-N 1 0 268.360 2.188 10 0 CEAERO C[C@@H]1CN(Cc2cc(-c3ccccc3)on2)C[C@@H]1[NH3+] ZINC000235399876 625398040 /nfs/dbraw/zinc/39/80/40/625398040.db2.gz CPKCNQOOCNNBIW-RISCZKNCSA-N 1 0 257.337 2.121 10 0 CEAERO C[NH2+]CCc1noc(-c2cc(C)nc3ccccc32)n1 ZINC000051850593 625556161 /nfs/dbraw/zinc/55/61/61/625556161.db2.gz ULKLARXLKYABLJ-UHFFFAOYSA-N 1 0 268.320 2.355 10 0 CEAERO N#Cc1nc(/C=C\c2ccccc2)oc1N1CC[NH2+]CC1 ZINC000096556890 625559134 /nfs/dbraw/zinc/55/91/34/625559134.db2.gz KEPICUKMYIGNBT-SREVYHEPSA-N 1 0 280.331 2.126 10 0 CEAERO C[C@H]1CN(c2cc(C(F)(F)F)ccn2)[C@@H](C)C[NH2+]1 ZINC000090804063 623116362 /nfs/dbraw/zinc/11/63/62/623116362.db2.gz XYYLWWKVDLLTNM-IUCAKERBSA-N 1 0 259.275 2.287 10 0 CEAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C1CC1 ZINC000089150669 623463482 /nfs/dbraw/zinc/46/34/82/623463482.db2.gz UOLSUVBHQGECKG-MJBXVCDLSA-N 1 0 298.427 2.040 10 0 CEAERO C[C@H]1CN(C(=O)c2cccc(C(F)(F)F)c2)C[C@H]1[NH3+] ZINC000235657065 625696835 /nfs/dbraw/zinc/69/68/35/625696835.db2.gz CTXYYFGIFYTIAB-GZMMTYOYSA-N 1 0 272.270 2.125 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1[NH2+]CCCC1(C)C)C1CCCC1 ZINC000235172409 624663778 /nfs/dbraw/zinc/66/37/78/624663778.db2.gz SWXFWKNRKYKFRT-YPMHNXCESA-N 1 0 252.402 2.460 10 0 CEAERO CC1=C(c2nnc([C@H]3CN(C)C[C@@H](C)O3)o2)CCCO1 ZINC000888078954 624708143 /nfs/dbraw/zinc/70/81/43/624708143.db2.gz MZWVLEXRUQSFRA-BXKDBHETSA-N 1 0 279.340 2.003 10 0 CEAERO C[C@H](Oc1ccccc1Cl)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000246501458 624978771 /nfs/dbraw/zinc/97/87/71/624978771.db2.gz PWBYJIWCEHAVLB-GMXVVIOVSA-N 1 0 296.798 2.351 10 0 CEAERO CCN(CC)c1ccc(C[N@@H+]2CCCNC(=O)[C@@H]2C)cc1 ZINC000189100356 625003738 /nfs/dbraw/zinc/00/37/38/625003738.db2.gz XZDVOBYLQZQTQV-AWEZNQCLSA-N 1 0 289.423 2.243 10 0 CEAERO C[NH2+]CCc1noc(-c2cccc(C)c2Cl)n1 ZINC000163024913 627341798 /nfs/dbraw/zinc/34/17/98/627341798.db2.gz QASGAWDVARIZDF-UHFFFAOYSA-N 1 0 251.717 2.460 10 0 CEAERO [NH3+]CCCCCCc1nc(Cc2ccncc2)no1 ZINC000053129516 627349234 /nfs/dbraw/zinc/34/92/34/627349234.db2.gz GTZVMPGAVBVKPH-UHFFFAOYSA-N 1 0 260.341 2.117 10 0 CEAERO Cc1cc(N2CC[C@H](CC[NH3+])C2)ncc1Br ZINC000164046388 627367931 /nfs/dbraw/zinc/36/79/31/627367931.db2.gz ZZOJSAGUCXMHGH-JTQLQIEISA-N 1 0 284.201 2.328 10 0 CEAERO C[NH2+]C[C@@H]1CCCCN1c1nc(C)cc(C(C)C)n1 ZINC000122560038 627896204 /nfs/dbraw/zinc/89/62/04/627896204.db2.gz KFVRHYDDXVLRFM-ZDUSSCGKSA-N 1 0 262.401 2.487 10 0 CEAERO [NH3+]C1CC(CNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)C1 ZINC000228429440 628187344 /nfs/dbraw/zinc/18/73/44/628187344.db2.gz IRSUPZLNMHTMAM-JPPWEJMLSA-N 1 0 278.318 2.209 10 0 CEAERO CC1CCC(=CC(=O)N[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000193645555 628482713 /nfs/dbraw/zinc/48/27/13/628482713.db2.gz QETYFWWSOTUJSR-WGIUUAEBSA-N 1 0 250.386 2.380 10 0 CEAERO COCC1(c2noc([C@@H]3CCC[C@H]3C[NH3+])n2)CCCC1 ZINC000312929165 628563959 /nfs/dbraw/zinc/56/39/59/628563959.db2.gz NKVGDKBKIGNASF-NWDGAFQWSA-N 1 0 279.384 2.370 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)OC)c(C)c1 ZINC000236897855 628740467 /nfs/dbraw/zinc/74/04/67/628740467.db2.gz WBACQQWZLKQWBI-TVQRCGJNSA-N 1 0 278.352 2.094 10 0 CEAERO OCCN1CCC([NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000399200593 628783951 /nfs/dbraw/zinc/78/39/51/628783951.db2.gz UEOAUJDJNKIHKN-OAHLLOKOSA-N 1 0 292.448 2.270 10 0 CEAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]C1CCN(CCO)CC1 ZINC000399245587 628787609 /nfs/dbraw/zinc/78/76/09/628787609.db2.gz JZUYOMDBPLFZGI-HYVNUMGLSA-N 1 0 282.472 2.494 10 0 CEAERO Cc1cccc2c1CCN(C(=O)[C@H]1CC[C@H]([NH3+])C1)C2 ZINC000178532969 628848445 /nfs/dbraw/zinc/84/84/45/628848445.db2.gz OPOZKTDGOGCNIY-JSGCOSHPSA-N 1 0 258.365 2.007 10 0 CEAERO COc1cc(NC(=O)[C@H]2CCC[NH2+][C@H]2C)cc(OC)c1 ZINC000094646838 628869304 /nfs/dbraw/zinc/86/93/04/628869304.db2.gz IXIRAYITYUHVKL-HZMBPMFUSA-N 1 0 278.352 2.030 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1Nc1cncc(Br)c1 ZINC000261529658 628934934 /nfs/dbraw/zinc/93/49/34/628934934.db2.gz BGTFBUBAAGFNLV-LDYMZIIASA-N 1 0 270.174 2.383 10 0 CEAERO C[C@@H]1CCC[C@H](NC(=O)CC[C@H]2CCC[NH2+]2)[C@H]1C ZINC000261554680 628937420 /nfs/dbraw/zinc/93/74/20/628937420.db2.gz BBEKGUUTWWLDFR-RQJABVFESA-N 1 0 252.402 2.460 10 0 CEAERO COc1ccc(CN2CC[C@@H]([NH3+])[C@@H]2C)cc1Cl ZINC000261560776 628938419 /nfs/dbraw/zinc/93/84/19/628938419.db2.gz UVPDVSVFLVYAER-JOYOIKCWSA-N 1 0 254.761 2.270 10 0 CEAERO CC(C)S(=O)(=O)CC[NH2+]CC1CCC(C)CC1 ZINC000232810158 628950407 /nfs/dbraw/zinc/95/04/07/628950407.db2.gz KPRVRMSSCFPQTC-UHFFFAOYSA-N 1 0 261.431 2.226 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)C(C)(C)c1ccc(Cl)cc1 ZINC000261679915 628986553 /nfs/dbraw/zinc/98/65/53/628986553.db2.gz HNTMJURDPBQQCT-SNVBAGLBSA-N 1 0 268.788 2.342 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000261813986 629254539 /nfs/dbraw/zinc/25/45/39/629254539.db2.gz SSAJKWVOZCJDOI-BXKDBHETSA-N 1 0 286.297 2.196 10 0 CEAERO COc1cccc(-c2noc(CC[C@H]3CCC[NH2+]3)n2)c1 ZINC000261820838 629257069 /nfs/dbraw/zinc/25/70/69/629257069.db2.gz TXJGDJPLYSEIRR-GFCCVEGCSA-N 1 0 273.336 2.430 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)[C@]1(C)CCCc2ccccc21 ZINC000261851683 629280966 /nfs/dbraw/zinc/28/09/66/629280966.db2.gz XJUAPFINZNGYOO-MLGOLLRUSA-N 1 0 260.381 2.005 10 0 CEAERO CCC(CC)(C[NH3+])C(=O)N[C@@H](C)COCc1ccccc1 ZINC000262073510 629694835 /nfs/dbraw/zinc/69/48/35/629694835.db2.gz WZOIDEYDVNXYMZ-AWEZNQCLSA-N 1 0 292.423 2.473 10 0 CEAERO CC(C)C1CCN(C(=O)[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000232533283 629721598 /nfs/dbraw/zinc/72/15/98/629721598.db2.gz OOPCBYWCIUAJJF-GXTWGEPZSA-N 1 0 252.402 2.269 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)nc(Cl)c2)C1 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ALIFFYDGCZFZFL-GPANFISMSA-N 1 0 262.397 2.446 10 0 CEAERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc2ccccc2n1 ZINC000124509162 187140635 /nfs/dbraw/zinc/14/06/35/187140635.db2.gz VIRULNSLHMXRDR-GXTWGEPZSA-N 1 0 283.375 2.321 10 0 CEAERO CC(C)(C)OC(=O)NCc1ccc(C[NH3+])cc1F ZINC000082431445 178009844 /nfs/dbraw/zinc/00/98/44/178009844.db2.gz NKAOZLAOYCNJBZ-UHFFFAOYSA-N 1 0 254.305 2.309 10 0 CEAERO [NH3+]C[C@H](O[C@H]1CCOC1)c1cccc(Br)c1 ZINC000082452972 178031467 /nfs/dbraw/zinc/03/14/67/178031467.db2.gz PFEGYZCNJXLPCS-RYUDHWBXSA-N 1 0 286.169 2.254 10 0 CEAERO O[C@H]1C[NH2+]C[C@H]1Oc1cc(Cl)c(Cl)cc1Cl ZINC000082524918 178088564 /nfs/dbraw/zinc/08/85/64/178088564.db2.gz YCSVREFSMHOVDZ-WCBMZHEXSA-N 1 0 282.554 2.358 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1ccncn1)C(F)(F)F ZINC000082535229 178089160 /nfs/dbraw/zinc/08/91/60/178089160.db2.gz UWOPQFRHPSCVAR-HTRCEHHLSA-N 1 0 251.277 2.237 10 0 CEAERO [NH3+]Cc1cc(-c2cc(Br)cs2)n[nH]1 ZINC000082567760 178098443 /nfs/dbraw/zinc/09/84/43/178098443.db2.gz SUPLFJVWQDLOMT-UHFFFAOYSA-N 1 0 258.144 2.359 10 0 CEAERO O=C(OCc1ccccc1)N1CCC[C@H]([C@@H]2CC[NH2+]2)C1 ZINC000095803829 185029020 /nfs/dbraw/zinc/02/90/20/185029020.db2.gz IRTSPZPLLXMUKD-GJZGRUSLSA-N 1 0 274.364 2.397 10 0 CEAERO CC(C)(C)OC(=O)N1c2ccccc2[C@@]2(CC[NH2+]C2)C1=O ZINC000095932957 185032932 /nfs/dbraw/zinc/03/29/32/185032932.db2.gz SHSHYAWQGZALAK-INIZCTEOSA-N 1 0 288.347 2.199 10 0 CEAERO CC1(C)c2cc(C(=O)C3CC[NH2+]CC3)ccc2NC1=O ZINC000082624096 178139380 /nfs/dbraw/zinc/13/93/80/178139380.db2.gz SWXPGSHOEWHGSV-UHFFFAOYSA-N 1 0 272.348 2.099 10 0 CEAERO CC1(C)c2cc(C(=O)[C@@H]3CCCC[NH2+]3)ccc2NC1=O ZINC000082624106 178139828 /nfs/dbraw/zinc/13/98/28/178139828.db2.gz ICQSMVDOOGYFNQ-ZDUSSCGKSA-N 1 0 272.348 2.241 10 0 CEAERO Cn1cc([C@@H]([NH3+])c2ccc(F)cc2Br)cn1 ZINC000034957695 361800034 /nfs/dbraw/zinc/80/00/34/361800034.db2.gz SVXABXRIYBCCLP-LLVKDONJSA-N 1 0 284.132 2.370 10 0 CEAERO CC[C@H]([NH3+])C[S@@](=O)c1ccc(Br)cc1 ZINC000082747090 178269029 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/nfs/dbraw/zinc/38/67/34/178386734.db2.gz DMTKULLJBMOAFY-DOMZBBRYSA-N 1 0 250.361 2.441 10 0 CEAERO FC(F)(F)[C@@H]1CC[NH2+]CCN1Cc1ccccc1 ZINC000096897570 185125843 /nfs/dbraw/zinc/12/58/43/185125843.db2.gz WWYQCWIQBWZVDB-LBPRGKRZSA-N 1 0 258.287 2.413 10 0 CEAERO O=C(Nc1cccc2cnccc21)[C@H]1CCC[NH2+]C1 ZINC000037015291 361882464 /nfs/dbraw/zinc/88/24/64/361882464.db2.gz PMMZYWXGVDRQMA-LBPRGKRZSA-N 1 0 255.321 2.173 10 0 CEAERO O=S1(=O)CCC([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000037142175 361899107 /nfs/dbraw/zinc/89/91/07/361899107.db2.gz GUGOWZBNIYLNBP-ONGXEEELSA-N 1 0 299.358 2.274 10 0 CEAERO COc1ccc(C[NH2+][C@@H]2CCC[C@H](O)C2)c(OC)c1 ZINC000037164314 361901879 /nfs/dbraw/zinc/90/18/79/361901879.db2.gz KARMEDYDRYSAGM-OLZOCXBDSA-N 1 0 265.353 2.097 10 0 CEAERO C[C@H]1C[NH2+]CC[C@@]12C[C@H](O)c1ccc(F)cc1O2 ZINC000097005931 185150797 /nfs/dbraw/zinc/15/07/97/185150797.db2.gz BQRKOBKMOVAYPT-DUFXMDAXSA-N 1 0 251.301 2.010 10 0 CEAERO C[C@H]1C[C@@]2(C[N@@H+]1C)C[C@H](O)c1ccc(F)cc1O2 ZINC000097005827 185150909 /nfs/dbraw/zinc/15/09/09/185150909.db2.gz DPBKPPQLSFUTSC-WFBYXXMGSA-N 1 0 251.301 2.104 10 0 CEAERO C[NH+]1CCC2(CC1)C[C@@H](O)c1ccc(F)cc1O2 ZINC000097005380 185151129 /nfs/dbraw/zinc/15/11/29/185151129.db2.gz CWLCFRCWRLIGMF-GFCCVEGCSA-N 1 0 251.301 2.106 10 0 CEAERO CCc1cc(C(=O)NC2CCC(C)CC2)cc(NN)[nH+]1 ZINC000097030622 185154454 /nfs/dbraw/zinc/15/44/54/185154454.db2.gz VLVTZQDRCNTLIK-UHFFFAOYSA-N 1 0 276.384 2.238 10 0 CEAERO CCc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NCCCOC)cc1 ZINC000037980706 361971280 /nfs/dbraw/zinc/97/12/80/361971280.db2.gz LRXPFLRGKMGVRU-ZIAGYGMSSA-N 1 0 292.423 2.441 10 0 CEAERO [NH3+]CCCc1nnc(SCCOc2ccccc2)o1 ZINC000040173845 361991510 /nfs/dbraw/zinc/99/15/10/361991510.db2.gz LXKDVYHEUHDZOO-UHFFFAOYSA-N 1 0 279.365 2.132 10 0 CEAERO C[C@@H](NC(=O)C[NH2+]C1CC1)c1ccccc1Cl ZINC000040415375 361991880 /nfs/dbraw/zinc/99/18/80/361991880.db2.gz LGNRFTVTMVBQLJ-SECBINFHSA-N 1 0 252.745 2.269 10 0 CEAERO CC[C@H]([NH3+])C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000037006736 529442769 /nfs/dbraw/zinc/44/27/69/529442769.db2.gz LYEMPQPBCKQEEW-KCJUWKMLSA-N 1 0 285.185 2.364 10 0 CEAERO C[C@H]1CN(C(=O)c2cscc2C(F)(F)F)C[C@@H]1[NH3+] ZINC000621663984 349654953 /nfs/dbraw/zinc/65/49/53/349654953.db2.gz HLCKXBAIHSTWRX-RCOVLWMOSA-N 1 0 278.299 2.186 10 0 CEAERO [NH3+]CC1([C@H](O)c2ccc(Br)s2)CC1 ZINC000307494764 539169373 /nfs/dbraw/zinc/16/93/73/539169373.db2.gz BWIGDSYRFOANFI-MRVPVSSYSA-N 1 0 262.172 2.283 10 0 CEAERO Cc1oc(C)c(C(=O)N(C)[C@H]2CCC[NH2+]CC2)c1C ZINC000226456836 539172193 /nfs/dbraw/zinc/17/21/93/539172193.db2.gz LZFRNZTYAYBIEE-ZDUSSCGKSA-N 1 0 264.369 2.419 10 0 CEAERO [NH3+][C@H]1C[C@@]12CNc1c2cc(Cl)cc1Br ZINC000725247600 539192411 /nfs/dbraw/zinc/19/24/11/539192411.db2.gz RTGMZZRVFJYVHT-WPRPVWTQSA-N 1 0 273.561 2.497 10 0 CEAERO CCOc1cc(CN2CC[N@@H+]3CCC[C@@H]3C2)ccc1O ZINC000211638826 539186373 /nfs/dbraw/zinc/18/63/73/539186373.db2.gz NOVQRZUCEMISFG-CQSZACIVSA-N 1 0 276.380 2.071 10 0 CEAERO Cc1nccnc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000621726104 349680387 /nfs/dbraw/zinc/68/03/87/349680387.db2.gz JYQVZAZDDNECIZ-NUEKZKHPSA-N 1 0 275.396 2.301 10 0 CEAERO C[C@@H]1C[C@@H](C)CC([NH3+])(CNC(=O)NC2CCCC2)C1 ZINC000725255165 539201033 /nfs/dbraw/zinc/20/10/33/539201033.db2.gz UQJJVTMKXDOAEW-VXGBXAGGSA-N 1 0 267.417 2.382 10 0 CEAERO CC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C[C@@H]1F ZINC000725261868 539209753 /nfs/dbraw/zinc/20/97/53/539209753.db2.gz LJRKWSIUGKWXRT-QWRGUYRKSA-N 1 0 260.353 2.334 10 0 CEAERO CCC[C@H](C)C(=O)N[C@@H]1CC[NH2+]CC[C@@H]1C(F)(F)F ZINC000725262686 539211372 /nfs/dbraw/zinc/21/13/72/539211372.db2.gz LMILFOKAZXFQCE-GARJFASQSA-N 1 0 280.334 2.469 10 0 CEAERO CC(C)CC(=O)N1CC[C@@H]2CC[C@@]21[C@@H]1CCC[NH2+]C1 ZINC000725263583 539212149 /nfs/dbraw/zinc/21/21/49/539212149.db2.gz SGEJUHUDGNLAKV-LZWOXQAQSA-N 1 0 264.413 2.413 10 0 CEAERO CC(C)C(=O)N1CCC[C@H]([C@]23CC[C@H]2CC[NH2+]3)C1 ZINC000725263589 539212205 /nfs/dbraw/zinc/21/22/05/539212205.db2.gz SRVZFEKDYINDAK-YDHLFZDLSA-N 1 0 250.386 2.023 10 0 CEAERO CC(C)[C@@H](C)C(=O)N[C@H]1CCCC12CC[NH2+]CC2 ZINC000725263891 539212342 /nfs/dbraw/zinc/21/23/42/539212342.db2.gz ADUMIOPOZCLRNZ-OLZOCXBDSA-N 1 0 252.402 2.317 10 0 CEAERO CC(C)CNC(=O)N1CC[C@@H]2CC[C@@]21[C@H]1CCC[NH2+]C1 ZINC000725263542 539212368 /nfs/dbraw/zinc/21/23/68/539212368.db2.gz OQELDYWLMQCJNU-DZKIICNBSA-N 1 0 279.428 2.206 10 0 CEAERO CCCCNC(=O)N1CCC[C@H]([C@]23CC[C@H]2CC[NH2+]3)C1 ZINC000725263487 539212386 /nfs/dbraw/zinc/21/23/86/539212386.db2.gz JUJKVUWWPFETER-DZKIICNBSA-N 1 0 279.428 2.350 10 0 CEAERO C[C@H](c1cnn(CC2CCC2)c1)[N@@H+]1CC[C@H](CO)C1 ZINC000725264343 539212872 /nfs/dbraw/zinc/21/28/72/539212872.db2.gz HXRXJKPHYNCFRU-OCCSQVGLSA-N 1 0 263.385 2.058 10 0 CEAERO CCC(C)(C)NC(=O)N[C@@]12CC[NH2+][C@@H]1CCCC2 ZINC000725264411 539212932 /nfs/dbraw/zinc/21/29/32/539212932.db2.gz LZANPJCWALWSEX-RISCZKNCSA-N 1 0 253.390 2.149 10 0 CEAERO Brc1ccc(C[NH2+][C@@H]2COC[C@H]2C2CC2)cn1 ZINC000725269667 539215082 /nfs/dbraw/zinc/21/50/82/539215082.db2.gz PEMYBKQZJTYZKH-NWDGAFQWSA-N 1 0 297.196 2.359 10 0 CEAERO CC(C)(C)OC(=O)c1cccc([C@@H]2CC[NH2+]C[C@@H]2N)c1 ZINC000725270904 539215331 /nfs/dbraw/zinc/21/53/31/539215331.db2.gz UYFYCCKTDJMKPO-KBPBESRZSA-N 1 0 276.380 2.046 10 0 CEAERO CC(C)(C)OC(=O)[C@H](CCCC[NH3+])C1CCOCC1 ZINC000725271955 539215563 /nfs/dbraw/zinc/21/55/63/539215563.db2.gz WSHHZDZWOHPUTF-CYBMUJFWSA-N 1 0 271.401 2.500 10 0 CEAERO CCc1cccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](CC)C2)c1 ZINC000176842313 529547936 /nfs/dbraw/zinc/54/79/36/529547936.db2.gz RXEHFAZFIACIBX-CQSZACIVSA-N 1 0 296.436 2.012 10 0 CEAERO Cc1ccc(CNC(=O)[C@H]2C[C@H](C)CC[NH2+]2)cc1F ZINC000126114162 187217720 /nfs/dbraw/zinc/21/77/20/187217720.db2.gz QBXDMFQUEBKHIA-QMTHXVAHSA-N 1 0 264.344 2.138 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)/C=C/c1ccc(O)cc1 ZINC000126287675 187229609 /nfs/dbraw/zinc/22/96/09/187229609.db2.gz IVGJMYMINKTTEL-SHQCLWGWSA-N 1 0 288.391 2.348 10 0 CEAERO N[C@@]1(c2nccs2)CC[N@H+](Cc2ccccc2)C1 ZINC000041182165 362024500 /nfs/dbraw/zinc/02/45/00/362024500.db2.gz PERQCIVNKOUVBQ-AWEZNQCLSA-N 1 0 259.378 2.203 10 0 CEAERO O[C@H]1CC[NH2+][C@H](c2ccc(Br)cc2)C1 ZINC000041326352 362029269 /nfs/dbraw/zinc/02/92/69/362029269.db2.gz GRVIFCLXQLJTDN-QWRGUYRKSA-N 1 0 256.143 2.235 10 0 CEAERO C[C@H]([NH2+]C[C@H](O)Cn1cccn1)c1ccc(Cl)s1 ZINC000042587543 362104578 /nfs/dbraw/zinc/10/45/78/362104578.db2.gz MIFSPVBCBDUFOM-UWVGGRQHSA-N 1 0 285.800 2.310 10 0 CEAERO O=C(NCc1cccc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000042419092 362092311 /nfs/dbraw/zinc/09/23/11/362092311.db2.gz WEPNJBGTJRSTSC-NSHDSACASA-N 1 0 297.196 2.065 10 0 CEAERO CCNC(=O)CC[NH2+][C@H](C)c1cc(F)ccc1F ZINC000135716022 539288637 /nfs/dbraw/zinc/28/86/37/539288637.db2.gz OUVISHFFUXZBBW-SECBINFHSA-N 1 0 256.296 2.142 10 0 CEAERO CC[C@H]([NH3+])[C@@H](O)c1ccc(Br)s1 ZINC000043265235 362140676 /nfs/dbraw/zinc/14/06/76/362140676.db2.gz CISSCPVXUQTPAM-YLWLKBPMSA-N 1 0 250.161 2.281 10 0 CEAERO [NH3+]CC1CCN(c2nc3ccccc3nc2Cl)CC1 ZINC000045948257 362171827 /nfs/dbraw/zinc/17/18/27/362171827.db2.gz YZDQQBMTSXGSFF-UHFFFAOYSA-N 1 0 276.771 2.458 10 0 CEAERO O[C@@H](C[C@H]1CCC[NH2+]C1)CN1CCCc2ccccc21 ZINC000017315741 343373180 /nfs/dbraw/zinc/37/31/80/343373180.db2.gz SIRJWXUJMCZVAW-ZBFHGGJFSA-N 1 0 274.408 2.190 10 0 CEAERO CC(C)(C)[NH2+]C[C@H](O)COC(=O)CCCc1ccccc1 ZINC000025970608 343388390 /nfs/dbraw/zinc/38/83/90/343388390.db2.gz NOIOHCYFCNGXOF-HNNXBMFYSA-N 1 0 293.407 2.302 10 0 CEAERO N[C@H](c1ccc(O)cc1F)[C@@H]([NH3+])c1ccc(O)cc1F ZINC000028117388 343395793 /nfs/dbraw/zinc/39/57/93/343395793.db2.gz XSTKOKSMBQKEPG-OKILXGFUSA-N 1 0 280.274 2.076 10 0 CEAERO [NH3+]C[C@@H](O)c1cc(OCc2ccccc2)ccc1F ZINC000032241360 343411897 /nfs/dbraw/zinc/41/18/97/343411897.db2.gz FGGDZWZPCNKFGE-OAHLLOKOSA-N 1 0 261.296 2.397 10 0 CEAERO CCN(CC)C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000039215889 343436124 /nfs/dbraw/zinc/43/61/24/343436124.db2.gz DJXVPUYANOWYFE-OAHLLOKOSA-N 1 0 275.396 2.312 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]1)N[C@H]1CCCC[C@H]1C(F)(F)F ZINC000042167785 343448101 /nfs/dbraw/zinc/44/81/01/343448101.db2.gz XLKGPKBQHUIRHJ-AXFHLTTASA-N 1 0 278.318 2.366 10 0 CEAERO O=C(C[C@H]1CC[NH2+]C1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000227722215 539316378 /nfs/dbraw/zinc/31/63/78/539316378.db2.gz FVSDAPSQBPVGBA-MXWKQRLJSA-N 1 0 278.318 2.223 10 0 CEAERO O[C@@H](C[NH2+]C[C@H]1CC=CCC1)COCc1ccco1 ZINC000045630316 343486395 /nfs/dbraw/zinc/48/63/95/343486395.db2.gz KYJUMSQGEWZNDR-KBPBESRZSA-N 1 0 265.353 2.103 10 0 CEAERO CCSCC[C@H](C)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000601976488 346947959 /nfs/dbraw/zinc/94/79/59/346947959.db2.gz QXCNVOZDOQBQRF-OBJOEFQTSA-N 1 0 270.442 2.024 10 0 CEAERO Cc1nc(C)c(C[N@@H+]2CCC[C@@H]2CCCO)s1 ZINC000336714516 365777656 /nfs/dbraw/zinc/77/76/56/365777656.db2.gz TXYLDCNQSKAXEC-GFCCVEGCSA-N 1 0 254.399 2.497 10 0 CEAERO C[C@@H]1C[N@@H+]([C@@H]2CCC[C@H]2O)CCN1Cc1ccccc1 ZINC000306636532 539335503 /nfs/dbraw/zinc/33/55/03/539335503.db2.gz DWYMDMCIGZFHSF-DJIMGWMZSA-N 1 0 274.408 2.106 10 0 CEAERO CC(C)COc1ccccc1OC[C@H](O)C[NH2+]C(C)C ZINC000059391835 343652978 /nfs/dbraw/zinc/65/29/78/343652978.db2.gz LKTXCLRZWYCUKH-CQSZACIVSA-N 1 0 281.396 2.459 10 0 CEAERO CC(C)(C[NH3+])C(=O)N1CCC(Oc2ccccc2)CC1 ZINC000127975606 187344507 /nfs/dbraw/zinc/34/45/07/187344507.db2.gz UHSMMQNHZOVPDV-UHFFFAOYSA-N 1 0 276.380 2.041 10 0 CEAERO CC(C)[C@@H](C[NH3+])NC(=O)c1sccc1Br ZINC000083567944 178582092 /nfs/dbraw/zinc/58/20/92/178582092.db2.gz GVZIFWCYHWKMFF-MRVPVSSYSA-N 1 0 291.214 2.224 10 0 CEAERO COC[C@H](O)C[N@@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000127078827 187280529 /nfs/dbraw/zinc/28/05/29/187280529.db2.gz BIIOXQDXRYQMTD-CHWSQXEVSA-N 1 0 298.452 2.453 10 0 CEAERO COC(=O)[C@H]1C[C@@H]2c3cccc4c3[C@@H](CN4)C[C@H]2[N@H+](C)C1 ZINC000081955076 344069410 /nfs/dbraw/zinc/06/94/10/344069410.db2.gz FRLQAJCAKGEVHJ-NDPMZMCLSA-N 1 0 286.375 2.176 10 0 CEAERO O[C@@H]1CCCC[C@H]1[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000085174275 344092989 /nfs/dbraw/zinc/09/29/89/344092989.db2.gz PWKVKYDOYZYVBI-HUUCEWRRSA-N 1 0 263.385 2.391 10 0 CEAERO Cc1ccc([C@@H](C)[NH2+]CCN2C(=O)CCC2=O)cc1C ZINC000089684880 344127616 /nfs/dbraw/zinc/12/76/16/344127616.db2.gz KURBYBJBCOCATI-CYBMUJFWSA-N 1 0 274.364 2.103 10 0 CEAERO COc1c(C[NH2+]C[C@@H]2Cc3ccccc32)c(C)nn1C ZINC000105444450 344256822 /nfs/dbraw/zinc/25/68/22/344256822.db2.gz PPLUMMFIUVDMLA-ZDUSSCGKSA-N 1 0 271.364 2.167 10 0 CEAERO OCCC[NH+]1CCN(c2cccc3sccc32)CC1 ZINC000113506174 344277480 /nfs/dbraw/zinc/27/74/80/344277480.db2.gz MRHADSOJBVSLJI-UHFFFAOYSA-N 1 0 276.405 2.406 10 0 CEAERO [NH3+][C@]1(CO)CC[C@H](c2ccc(Br)cc2)C1 ZINC000118620489 344292280 /nfs/dbraw/zinc/29/22/80/344292280.db2.gz MKDOHHWCOHETDN-CMPLNLGQSA-N 1 0 270.170 2.406 10 0 CEAERO Cc1cnc([C@H](C)NC(=O)C[C@@H]2CCC[NH2+]C2)s1 ZINC000124514141 344315031 /nfs/dbraw/zinc/31/50/31/344315031.db2.gz PXUHRVIZGBGUPB-QWRGUYRKSA-N 1 0 267.398 2.018 10 0 CEAERO CCC1CCC(N(C)C(=O)C(C)(C)N2CC[NH2+]CC2)CC1 ZINC000129671397 344346355 /nfs/dbraw/zinc/34/63/55/344346355.db2.gz GCQHYFGRJBLFBW-UHFFFAOYSA-N 1 0 295.471 2.097 10 0 CEAERO [NH3+][C@@H](CN1C(=O)c2ccccc2C1=O)C1CCCCC1 ZINC000132375879 344363209 /nfs/dbraw/zinc/36/32/09/344363209.db2.gz ZUJHVJKRPIYTBX-AWEZNQCLSA-N 1 0 272.348 2.190 10 0 CEAERO Cc1cc(O)ccc1[C@@H](N)[C@@H]([NH3+])c1ccc(O)cc1C ZINC000138969439 344391720 /nfs/dbraw/zinc/39/17/20/344391720.db2.gz SZNJKCOXAQRLQK-IYBDPMFKSA-N 1 0 272.348 2.414 10 0 CEAERO C[NH2+]Cc1ccccc1[C@@H](O)c1ccc(OC)cc1 ZINC000142739843 344404366 /nfs/dbraw/zinc/40/43/66/344404366.db2.gz IZLSFHWOHNIULG-INIZCTEOSA-N 1 0 257.333 2.496 10 0 CEAERO C[C@@](CC1CC1)(NC(=O)OCc1ccccc1)C(=[NH2+])NO ZINC000146303021 344409992 /nfs/dbraw/zinc/40/99/92/344409992.db2.gz UOWFFOSPFHMHKC-HNNXBMFYSA-N 1 0 291.351 2.428 10 0 CEAERO CC[C@@H]1CCC[NH2+][C@@H]1CN1C(=O)c2ccccc2C1=O ZINC000159081759 344452882 /nfs/dbraw/zinc/45/28/82/344452882.db2.gz NRLRVDTZJBXFLV-BXUZGUMPSA-N 1 0 272.348 2.061 10 0 CEAERO [NH3+]CCC1CCN(c2ccncc2Br)CC1 ZINC000159907279 344456376 /nfs/dbraw/zinc/45/63/76/344456376.db2.gz XZRDZAGUHLFJOL-UHFFFAOYSA-N 1 0 284.201 2.409 10 0 CEAERO [NH3+][C@H]1CC[C@H](Oc2ccncc2Br)C1 ZINC000159992465 344456837 /nfs/dbraw/zinc/45/68/37/344456837.db2.gz ARLIUZHHKQRINY-YUMQZZPRSA-N 1 0 257.131 2.103 10 0 CEAERO CC[C@@](C)(C[NH3+])Nc1ccncc1Br ZINC000160026627 344456882 /nfs/dbraw/zinc/45/68/82/344456882.db2.gz VAZWEEWLHXDBSW-JTQLQIEISA-N 1 0 258.163 2.383 10 0 CEAERO Cc1cnc(N[C@H](C)CC[NH3+])c(Br)c1 ZINC000163554574 344470586 /nfs/dbraw/zinc/47/05/86/344470586.db2.gz VATWYASBEGLEHB-MRVPVSSYSA-N 1 0 258.163 2.302 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cc(-c3cccs3)on2)C1 ZINC000170867937 344491638 /nfs/dbraw/zinc/49/16/38/344491638.db2.gz ADDXKHJUQAXUCI-SNVBAGLBSA-N 1 0 291.376 2.179 10 0 CEAERO CC(C)c1cccc(OCC(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000170866792 344491826 /nfs/dbraw/zinc/49/18/26/344491826.db2.gz WRKKJQIJJKZREJ-HNNXBMFYSA-N 1 0 290.407 2.351 10 0 CEAERO c1ccc(SCCCN2CCC[NH2+]CC2)cc1 ZINC000224228878 344543751 /nfs/dbraw/zinc/54/37/51/344543751.db2.gz SMJOHUSAVWCMNU-UHFFFAOYSA-N 1 0 250.411 2.464 10 0 CEAERO O=C(c1cscc1Br)[C@H]1CC[NH2+]C1 ZINC000226331224 344549000 /nfs/dbraw/zinc/54/90/00/344549000.db2.gz GGHKDVVEYQISNI-LURJTMIESA-N 1 0 260.156 2.303 10 0 CEAERO [NH3+][C@@H](CO)c1cc(Br)c(Cl)s1 ZINC000227937484 344557528 /nfs/dbraw/zinc/55/75/28/344557528.db2.gz KZMHLOHKGSOCOG-BYPYZUCNSA-N 1 0 256.552 2.156 10 0 CEAERO CCCCOC[C@@H](O)C[NH2+][C@H](C)Cc1cccs1 ZINC000227892541 344557541 /nfs/dbraw/zinc/55/75/41/344557541.db2.gz DSNKBVAMXZRMPM-OLZOCXBDSA-N 1 0 271.426 2.446 10 0 CEAERO Cc1sc([C@@H]2COC(=[NH2+])N2)cc1Br ZINC000227983961 344558126 /nfs/dbraw/zinc/55/81/26/344558126.db2.gz MWLGLRCJABVAKS-LURJTMIESA-N 1 0 261.144 2.205 10 0 CEAERO NC(=[NH2+])Nc1cc(Br)c(F)cc1F ZINC000228214676 344559630 /nfs/dbraw/zinc/55/96/30/344559630.db2.gz HESFWDAISUZXDD-UHFFFAOYSA-N 1 0 250.046 2.033 10 0 CEAERO CCS(=O)(=O)c1ccc(N[C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000228268675 344559952 /nfs/dbraw/zinc/55/99/52/344559952.db2.gz IOJXJMCKGPLTBB-MNOVXSKESA-N 1 0 270.398 2.018 10 0 CEAERO [NH3+]C[C@H](O)c1ccc(Br)c(Cl)c1F ZINC000236251574 344594557 /nfs/dbraw/zinc/59/45/57/344594557.db2.gz NRTZFLIDXHRHQS-LURJTMIESA-N 1 0 268.513 2.234 10 0 CEAERO O[C@@H](C[NH2+]C[C@H]1CCC2(CCCCC2)O1)C(F)(F)F ZINC000236540756 344596136 /nfs/dbraw/zinc/59/61/36/344596136.db2.gz ZWCJUVDJKXKNSA-MNOVXSKESA-N 1 0 281.318 2.381 10 0 CEAERO Clc1cc(NC2C[NH2+]C2)ccc1Br ZINC000232191950 344576666 /nfs/dbraw/zinc/57/66/66/344576666.db2.gz LCEIPPNCLOPQFM-UHFFFAOYSA-N 1 0 261.550 2.486 10 0 CEAERO [NH3+][C@H]1CCCCC[C@@H]1NC(=O)NCc1ccccc1 ZINC000232306472 344577257 /nfs/dbraw/zinc/57/72/57/344577257.db2.gz KTZOMFVHDAPQOV-KBPBESRZSA-N 1 0 261.369 2.146 10 0 CEAERO CCC[C@H]1C[C@@H]1[NH2+]CC1(O)CCC(C(=O)OCC)CC1 ZINC000233403576 344581751 /nfs/dbraw/zinc/58/17/51/344581751.db2.gz DMIAEYGMMOBRQZ-WJEHIRDRSA-N 1 0 283.412 2.249 10 0 CEAERO CSC[C@H](C)[NH2+][C@H](C)CNC(=O)OC(C)(C)C ZINC000235064753 344589012 /nfs/dbraw/zinc/58/90/12/344589012.db2.gz JYFLYNFNZXMWBF-ZJUUUORDSA-N 1 0 262.419 2.241 10 0 CEAERO CNC(=[NH2+])N(C)Cc1cc(Br)cs1 ZINC000052018923 362460562 /nfs/dbraw/zinc/46/05/62/362460562.db2.gz PBOZMTFXVNLUSV-UHFFFAOYSA-N 1 0 262.176 2.097 10 0 CEAERO CNC(=[NH2+])N(C)Cc1ccccc1Br ZINC000052018776 362460709 /nfs/dbraw/zinc/46/07/09/362460709.db2.gz HZQNPJPLJKGWSZ-UHFFFAOYSA-N 1 0 256.147 2.035 10 0 CEAERO O=C(C[NH2+][C@@H]1CCCC[C@H]1O)Nc1ccc(Cl)cc1 ZINC000052013159 362460782 /nfs/dbraw/zinc/46/07/82/362460782.db2.gz RMODFFWCNCHZPQ-CHWSQXEVSA-N 1 0 282.771 2.172 10 0 CEAERO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2CCCO)c1 ZINC000052761864 362474193 /nfs/dbraw/zinc/47/41/93/362474193.db2.gz RRGWONOBWKDLRW-OAHLLOKOSA-N 1 0 277.364 2.210 10 0 CEAERO CCN(C(=O)C[N@@H+]1CCC[C@@H]1CCCO)c1ccccc1 ZINC000052762413 362474207 /nfs/dbraw/zinc/47/42/07/362474207.db2.gz FJCQAYFNACVJPW-OAHLLOKOSA-N 1 0 290.407 2.276 10 0 CEAERO C[NH2+][C@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000053204717 362487917 /nfs/dbraw/zinc/48/79/17/362487917.db2.gz KRFJDNBVKQJPCZ-VIFPVBQESA-N 1 0 259.275 2.289 10 0 CEAERO C[C@H]1Cc2ccc(I)cc2C[NH2+]1 ZINC000238483272 344606755 /nfs/dbraw/zinc/60/67/55/344606755.db2.gz MIAOGGZDTXBYCH-ZETCQYMHSA-N 1 0 273.117 2.325 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H](C)C(C)(C)C)C1 ZINC000247348333 344620012 /nfs/dbraw/zinc/62/00/12/344620012.db2.gz NWPKBINOLGWODF-UPJWGTAASA-N 1 0 269.433 2.449 10 0 CEAERO C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CCCc2ccccc21 ZINC000252591133 344639925 /nfs/dbraw/zinc/63/99/25/344639925.db2.gz DITSPDZOOMLYJU-LNSITVRQSA-N 1 0 258.365 2.178 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@H]2CCCc3ccccc32)C1 ZINC000252668354 344641117 /nfs/dbraw/zinc/64/11/17/344641117.db2.gz VLWMNCZLZZQGJK-RDJZCZTQSA-N 1 0 274.408 2.374 10 0 CEAERO CC[C@@H]1C[C@H]1[C@H]([NH3+])c1c(Br)cnn1C ZINC000307138454 344720348 /nfs/dbraw/zinc/72/03/48/344720348.db2.gz ZSZZJSBHMSDJOZ-BHNWBGBOSA-N 1 0 258.163 2.229 10 0 CEAERO C[C@@H]([NH3+])C[C@@H](C)Nc1cncc(Br)c1 ZINC000306248656 344712506 /nfs/dbraw/zinc/71/25/06/344712506.db2.gz HSDZMYRYKVJGAZ-HTQZYQBOSA-N 1 0 258.163 2.382 10 0 CEAERO C[C@@H]1C[C@H](C)C[NH2+][C@H]1CCN1C(=O)c2ccccc2C1=O ZINC000306610368 344715586 /nfs/dbraw/zinc/71/55/86/344715586.db2.gz KWSCHSPYDOKMFV-ZOWXZIJZSA-N 1 0 286.375 2.307 10 0 CEAERO CCn1cnnc1[C@@H]1CN(Cc2ccc(C)s2)CCO1 ZINC000328647278 344758122 /nfs/dbraw/zinc/75/81/22/344758122.db2.gz TWPXUPHNXNMASR-ZDUSSCGKSA-N 1 0 292.408 2.241 10 0 CEAERO CCCn1cc(CN(C[C@@H]2CCC[NH2+]2)C2CC2)cn1 ZINC000328626029 344756426 /nfs/dbraw/zinc/75/64/26/344756426.db2.gz DSONXGYZTLAGQM-AWEZNQCLSA-N 1 0 262.401 2.010 10 0 CEAERO Cc1cccnc1C[N@H+](C)C[C@H]1CCc2nccn2C1 ZINC000328623649 344756438 /nfs/dbraw/zinc/75/64/38/344756438.db2.gz CAMCKNROJIJVAB-CQSZACIVSA-N 1 0 270.380 2.281 10 0 CEAERO CCC[C@H]([NH2+]C[C@@H]1CN(CC)CCO1)C1CCC1 ZINC000322868274 539407903 /nfs/dbraw/zinc/40/79/03/539407903.db2.gz VNMKLXPCPQZGBQ-CABCVRRESA-N 1 0 254.418 2.266 10 0 CEAERO C[C@H](CCC[NH3+])Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000381415036 344824832 /nfs/dbraw/zinc/82/48/32/344824832.db2.gz RASNVULAGQBLBE-SECBINFHSA-N 1 0 275.312 2.077 10 0 CEAERO COCOc1ccc(Br)cc1C[C@@H](C)[NH3+] ZINC000083749275 178741187 /nfs/dbraw/zinc/74/11/87/178741187.db2.gz CBWBJJFWPFXAFG-MRVPVSSYSA-N 1 0 274.158 2.322 10 0 CEAERO CC[C@@H]1CC[C@@H]([NH2+]Cc2cccc(S(N)(=O)=O)c2)C1 ZINC000083829186 178751771 /nfs/dbraw/zinc/75/17/71/178751771.db2.gz ZGYGDUQVGPLLSJ-DGCLKSJQSA-N 1 0 282.409 2.002 10 0 CEAERO O=C(CC1C[NH2+]C1)Nc1ccc(Br)c(F)c1 ZINC000083826478 178750490 /nfs/dbraw/zinc/75/04/90/178750490.db2.gz DKVXWSYKPWWFTN-UHFFFAOYSA-N 1 0 287.132 2.136 10 0 CEAERO COc1ccccc1OC[C@@H](O)C[NH2+]C[C@H](C)C(C)C ZINC000083906176 178761864 /nfs/dbraw/zinc/76/18/64/178761864.db2.gz COYKPHXFKRCBHJ-KBPBESRZSA-N 1 0 281.396 2.317 10 0 CEAERO COC(=O)[C@H]1C[C@@H]2c3cccc4c3[C@H](CN4)C[C@H]2[N@H+](C)C1 ZINC000584602324 344962901 /nfs/dbraw/zinc/96/29/01/344962901.db2.gz FRLQAJCAKGEVHJ-HTTKSJEASA-N 1 0 286.375 2.176 10 0 CEAERO CCOC(=O)Cn1cc(Br)c2c[nH+]ccc21 ZINC000584603600 344963357 /nfs/dbraw/zinc/96/33/57/344963357.db2.gz HYBZNZXVSXIDQN-UHFFFAOYSA-N 1 0 283.125 2.362 10 0 CEAERO CC[C@H]1CC[C@@H](CCN2CCOCC2)[N@H+](CC)C1 ZINC000584607201 344964057 /nfs/dbraw/zinc/96/40/57/344964057.db2.gz OVDGZSCMQRZMTA-GJZGRUSLSA-N 1 0 254.418 2.219 10 0 CEAERO C[N@@H+]1C[C@H](O)C[C@H](C(O)(c2ccccc2)c2ccccc2)C1 ZINC000584631782 344970107 /nfs/dbraw/zinc/97/01/07/344970107.db2.gz VYIWRCQCGWIWKO-ZWKOTPCHSA-N 1 0 297.398 2.235 10 0 CEAERO CCOC(=O)[C@H](CC)Oc1cc(OC)ccc1C[C@@H](C)[NH3+] ZINC000084106074 178793115 /nfs/dbraw/zinc/79/31/15/178793115.db2.gz PKFRSGCNPWGKLC-RISCZKNCSA-N 1 0 295.379 2.305 10 0 CEAERO C[C@@H]([NH3+])c1cccc(S[C@@H](C)C(=O)NC2CC2)c1 ZINC000084122338 178797428 /nfs/dbraw/zinc/79/74/28/178797428.db2.gz DPQAVKFXJLXZGA-ZJUUUORDSA-N 1 0 264.394 2.466 10 0 CEAERO C[NH2+][C@H](C)c1cccc(S[C@@H]2CCN(C)C2=O)c1 ZINC000084123699 178797920 /nfs/dbraw/zinc/79/79/20/178797920.db2.gz JQRQJPOGXSLQKW-ZWNOBZJWSA-N 1 0 264.394 2.290 10 0 CEAERO C[C@H]([NH3+])c1cccc(SCCC(=O)N(C)C)c1 ZINC000084122828 178798111 /nfs/dbraw/zinc/79/81/11/178798111.db2.gz OCIDKYCRFCGFFW-JTQLQIEISA-N 1 0 252.383 2.277 10 0 CEAERO C[NH2+][C@H](C)c1cccc(SC[C@@H]2CNC(=O)O2)c1 ZINC000084124495 178798685 /nfs/dbraw/zinc/79/86/85/178798685.db2.gz JTGDATKYIKXHHM-KOLCDFICSA-N 1 0 266.366 2.168 10 0 CEAERO CC(C)([NH3+])Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000084144469 178801497 /nfs/dbraw/zinc/80/14/97/178801497.db2.gz OAKILRRFOJQOPH-UHFFFAOYSA-N 1 0 271.242 2.434 10 0 CEAERO COc1cccc(Cc2noc(CC3([NH3+])CCCC3)n2)c1 ZINC000084144303 178801673 /nfs/dbraw/zinc/80/16/73/178801673.db2.gz LQXCXCXUOISXGR-UHFFFAOYSA-N 1 0 287.363 2.483 10 0 CEAERO CN(C(=O)CC1([NH3+])CCCCC1)[C@H]1CCSC1 ZINC000084163916 178810603 /nfs/dbraw/zinc/81/06/03/178810603.db2.gz CVMZPOICBVAXLD-NSHDSACASA-N 1 0 256.415 2.002 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000054290147 362521237 /nfs/dbraw/zinc/52/12/37/362521237.db2.gz MRDLQEWDKBUODS-SECBINFHSA-N 1 0 298.289 2.336 10 0 CEAERO CC[C@H]1c2ccsc2CCN1C(=O)[C@@H](C)[NH2+]C ZINC000054075142 362510666 /nfs/dbraw/zinc/51/06/66/362510666.db2.gz FCVIKJJMOSJIAZ-KOLCDFICSA-N 1 0 252.383 2.192 10 0 CEAERO COC(=O)c1c(NC(=O)CC(C)(C)[NH3+])sc2c1CCC2 ZINC000084184786 178818783 /nfs/dbraw/zinc/81/87/83/178818783.db2.gz VEWXHLJAGODGEB-UHFFFAOYSA-N 1 0 296.392 2.089 10 0 CEAERO CCOc1cccc(NC(=O)C[C@@H]2CCC[NH2+]C2)c1 ZINC000054291716 362523160 /nfs/dbraw/zinc/52/31/60/362523160.db2.gz KLXJRSAJAGAJTD-LBPRGKRZSA-N 1 0 262.353 2.414 10 0 CEAERO COC(=O)c1ccc(C)c(NC(=O)C[C@@H]2CCC[NH2+]C2)c1 ZINC000054306565 362525540 /nfs/dbraw/zinc/52/55/40/362525540.db2.gz KRWLGEANSMPNCX-LBPRGKRZSA-N 1 0 290.363 2.110 10 0 CEAERO COc1cc(C)c(NC(=O)C[C@@H]2CCC[NH2+]C2)cc1OC ZINC000054307114 362525669 /nfs/dbraw/zinc/52/56/69/362525669.db2.gz KRXALCIRSIKNMV-LBPRGKRZSA-N 1 0 292.379 2.340 10 0 CEAERO COCCN(Cc1cccs1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054307774 362526679 /nfs/dbraw/zinc/52/66/79/362526679.db2.gz YGEURKQTTZFRGK-CYBMUJFWSA-N 1 0 296.436 2.113 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1Oc1ccc(Br)cn1 ZINC000084241045 178831071 /nfs/dbraw/zinc/83/10/71/178831071.db2.gz QWQBFFVRGHGIRC-PSASIEDQSA-N 1 0 271.158 2.350 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](c2nc(Cc3ccc(F)cc3)no2)C1 ZINC000097067786 185520106 /nfs/dbraw/zinc/52/01/06/185520106.db2.gz MVWQMISUQKUCNG-ZYHUDNBSSA-N 1 0 261.300 2.394 10 0 CEAERO CC[NH2+][C@H](CC1CCOCC1)c1cc(CC)nn1C ZINC000097067708 185520204 /nfs/dbraw/zinc/52/02/04/185520204.db2.gz SUTUAZDMDHZXNC-CQSZACIVSA-N 1 0 265.401 2.450 10 0 CEAERO Cc1ccc(C)c(S(=O)(=O)Cc2cccnc2C[NH3+])c1 ZINC000084268327 178835180 /nfs/dbraw/zinc/83/51/80/178835180.db2.gz FEYOQAPCWMGITI-UHFFFAOYSA-N 1 0 290.388 2.131 10 0 CEAERO Cc1ccc(C)c(S(=O)(=O)[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000084268274 178835384 /nfs/dbraw/zinc/83/53/84/178835384.db2.gz FTXRCPUPHUZRMP-STQMWFEESA-N 1 0 267.394 2.205 10 0 CEAERO CCOCC[C@H]([NH2+]C)c1ccc2c(c1)OCCO2 ZINC000097077739 185522043 /nfs/dbraw/zinc/52/20/43/185522043.db2.gz VAUPKXGMSHFIQU-LBPRGKRZSA-N 1 0 251.326 2.145 10 0 CEAERO CCC[NH+](CCC)[C@H](C)C[C@@](C)(NCC)C(=O)OC ZINC000084302530 178851600 /nfs/dbraw/zinc/85/16/00/178851600.db2.gz QEIDZAGQYMQVGI-UKRRQHHQSA-N 1 0 272.433 2.428 10 0 CEAERO CN[C@@](C)(C[C@@H](C)[N@H+](CC(C)C)C1CC1)C(=O)OC ZINC000084345886 178860064 /nfs/dbraw/zinc/86/00/64/178860064.db2.gz IFBYTUBQUQEABT-DOMZBBRYSA-N 1 0 270.417 2.037 10 0 CEAERO CC[C@@H]1CCCCN1C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000057870596 362597833 /nfs/dbraw/zinc/59/78/33/362597833.db2.gz MASQHJVNWITPEV-UONOGXRCSA-N 1 0 267.417 2.445 10 0 CEAERO O=C(c1ccccc1)N1CCC2(CCCC[NH2+]2)CC1 ZINC000059100447 362646793 /nfs/dbraw/zinc/64/67/93/362646793.db2.gz OEWWQSMMVXTIMP-UHFFFAOYSA-N 1 0 258.365 2.435 10 0 CEAERO CCn1nc(C[C@@](C)(O)C[NH2+]C2CC2)c2ccccc21 ZINC000097210495 185564766 /nfs/dbraw/zinc/56/47/66/185564766.db2.gz JLQIRNGXIADUFL-MRXNPFEDSA-N 1 0 273.380 2.102 10 0 CEAERO CC(C)n1ccc(C[C@@](C)(O)C[NH2+]C(C)(C)C)n1 ZINC000097210650 185564888 /nfs/dbraw/zinc/56/48/88/185564888.db2.gz XWMYMVVIMAVLTI-CQSZACIVSA-N 1 0 253.390 2.146 10 0 CEAERO C[NH2+]C[C@H](O)c1ccc(Cl)cc1Br ZINC000084639427 178908004 /nfs/dbraw/zinc/90/80/04/178908004.db2.gz IYPUUFACOCJDDL-VIFPVBQESA-N 1 0 264.550 2.355 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH3+])[C@@H]1Cc2ccccc2S1 ZINC000097217325 185566767 /nfs/dbraw/zinc/56/67/67/185566767.db2.gz LZMDFQBGWRSIQZ-OCCSQVGLSA-N 1 0 299.461 2.246 10 0 CEAERO CN(CCO)CC[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000623091668 349936260 /nfs/dbraw/zinc/93/62/60/349936260.db2.gz MTCQGHPNMPYBEJ-UHFFFAOYSA-N 1 0 278.440 2.340 10 0 CEAERO COCC[NH2+]C[C@@](C)(O)Cc1cccc2ccccc21 ZINC000097241291 185572906 /nfs/dbraw/zinc/57/29/06/185572906.db2.gz DDJUGVNYYHXHPE-KRWDZBQOSA-N 1 0 273.376 2.369 10 0 CEAERO CCCn1ncnc1C[C@H]([NH3+])[C@@H]1CSc2ccccc21 ZINC000097282008 185578939 /nfs/dbraw/zinc/57/89/39/185578939.db2.gz RVFSXSBWGLDDFM-OLZOCXBDSA-N 1 0 288.420 2.447 10 0 CEAERO CCc1cc(C[C@H]([NH3+])c2cccc3nccnc32)n(C)n1 ZINC000097276726 185576989 /nfs/dbraw/zinc/57/69/89/185576989.db2.gz XWQRIDPLGQBLPE-AWEZNQCLSA-N 1 0 281.363 2.168 10 0 CEAERO C[NH2+][C@H](Cc1ncnn1C(C)C)c1ccc(C)nc1 ZINC000097277616 185577152 /nfs/dbraw/zinc/57/71/52/185577152.db2.gz BTSYNQUDWGUOCW-CYBMUJFWSA-N 1 0 259.357 2.066 10 0 CEAERO CC[NH2+][C@H](CCc1ccco1)Cc1ncnn1CC ZINC000097280093 185578056 /nfs/dbraw/zinc/57/80/56/185578056.db2.gz KSKGICISFZMMOH-GFCCVEGCSA-N 1 0 262.357 2.044 10 0 CEAERO CCc1cc(C[C@@H]([NH3+])c2cncc(C)c2)n(CC)n1 ZINC000097279953 185578218 /nfs/dbraw/zinc/57/82/18/185578218.db2.gz SQBUABHIVWVFIG-OAHLLOKOSA-N 1 0 258.369 2.411 10 0 CEAERO C[NH2+][C@H](C[C@H](C)COC)[C@@H]1CCOC2(CCOCC2)C1 ZINC000097311063 185583716 /nfs/dbraw/zinc/58/37/16/185583716.db2.gz IZVSRNNIADSHKR-RRFJBIMHSA-N 1 0 285.428 2.223 10 0 CEAERO CC(C)[NH2+][C@@](C)(CCOC1C[C@H](C)C[C@@H](C)C1)C(N)=O ZINC000084962936 178934620 /nfs/dbraw/zinc/93/46/20/178934620.db2.gz FPUSWFQXEQJMPR-IOASZLSFSA-N 1 0 284.444 2.460 10 0 CEAERO C[C@@H]1CC(NC(=O)C[C@@H]2CCCC[NH2+]2)C[C@@H](C)C1 ZINC000084978738 178937714 /nfs/dbraw/zinc/93/77/14/178937714.db2.gz XDPBMUWZEKIDNA-AVGNSLFASA-N 1 0 252.402 2.460 10 0 CEAERO C[NH2+][C@H](CCCC(C)C)C[C@H]1CCS(=O)(=O)C1 ZINC000097385022 185596274 /nfs/dbraw/zinc/59/62/74/185596274.db2.gz KHCWRHOEOHMLEQ-CHWSQXEVSA-N 1 0 261.431 2.226 10 0 CEAERO COc1ccc([C@](C)(CCO)C(C)(C)[NH3+])c(OC)c1 ZINC000097434562 185603222 /nfs/dbraw/zinc/60/32/22/185603222.db2.gz WYZLHMVNSAYMJB-HNNXBMFYSA-N 1 0 267.369 2.081 10 0 CEAERO C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCCCC[NH2+]2)C[C@@H]1C ZINC000085058578 178945343 /nfs/dbraw/zinc/94/53/43/178945343.db2.gz UIOGAONURALMER-RFGFWPKPSA-N 1 0 252.402 2.460 10 0 CEAERO CCCOc1cccc([C@H](CC(=O)OC)[C@@H](C)[NH3+])c1 ZINC000097430785 185601222 /nfs/dbraw/zinc/60/12/22/185601222.db2.gz PCKGUBLOZLFCQW-BXUZGUMPSA-N 1 0 265.353 2.469 10 0 CEAERO FC(F)(F)[C@@H]1CCCC[C@H]1[NH2+]CCc1nnc[nH]1 ZINC000085134182 178954701 /nfs/dbraw/zinc/95/47/01/178954701.db2.gz LVKKNXLWONRBKT-RKDXNWHRSA-N 1 0 262.279 2.058 10 0 CEAERO CCC1(CC)CCN(C[C@H](CO)[NH2+]C(C)C)CC1 ZINC000085213568 178978057 /nfs/dbraw/zinc/97/80/57/178978057.db2.gz BZDYFDYKQYRZTP-CQSZACIVSA-N 1 0 256.434 2.248 10 0 CEAERO Cc1ccc(N(C)C[C@@](C)(CO)[NH2+]C(C)C)cc1 ZINC000085213872 178978236 /nfs/dbraw/zinc/97/82/36/178978236.db2.gz WJNXPFMTTQWULL-HNNXBMFYSA-N 1 0 250.386 2.180 10 0 CEAERO NN[C@@H](Cc1ccc(F)cc1Cl)Cc1c[nH+]ccc1N ZINC000097523599 185622291 /nfs/dbraw/zinc/62/22/91/185622291.db2.gz GTJOWVKNAODYQN-LBPRGKRZSA-N 1 0 294.761 2.073 10 0 CEAERO CCC[NH2+][C@](C)(CO)CCN(C)c1ccc(F)cc1 ZINC000085214359 178978743 /nfs/dbraw/zinc/97/87/43/178978743.db2.gz CIHOARSGYKQUJR-HNNXBMFYSA-N 1 0 268.376 2.403 10 0 CEAERO Cc1ccc(C)c(OCCN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000178628912 232376309 /nfs/dbraw/zinc/37/63/09/232376309.db2.gz LQDROYFHUUPRSR-MRXNPFEDSA-N 1 0 274.408 2.462 10 0 CEAERO Cc1nnc(N2C[C@@H](C)C[C@H]([NH3+])C2)c2ccccc12 ZINC000094553567 136513998 /nfs/dbraw/zinc/51/39/98/136513998.db2.gz MNCWWEYMLCICMV-JQWIXIFHSA-N 1 0 256.353 2.112 10 0 CEAERO CCC[NH2+]C[C@@H]1CCCN(c2ccc3nccnc3n2)C1 ZINC000094727107 136514466 /nfs/dbraw/zinc/51/44/66/136514466.db2.gz RDHPXQCAKYTIJJ-ZDUSSCGKSA-N 1 0 285.395 2.241 10 0 CEAERO CN(CC[C@](C)(CO)[NH2+]C1CC1)c1cccc(F)c1 ZINC000085215198 178979436 /nfs/dbraw/zinc/97/94/36/178979436.db2.gz RTTZFPXOYLJCKL-OAHLLOKOSA-N 1 0 266.360 2.155 10 0 CEAERO C[C@H]([NH3+])[C@H]1CCCN(c2ncnc3c2CCCCC3)C1 ZINC000094887096 136515036 /nfs/dbraw/zinc/51/50/36/136515036.db2.gz FHFVHARYUMXLTD-STQMWFEESA-N 1 0 274.412 2.309 10 0 CEAERO C[C@](CO)(CCOc1ccc(F)cc1F)[NH2+]C1CC1 ZINC000085283083 179000719 /nfs/dbraw/zinc/00/07/19/179000719.db2.gz PMKJTCYCARRJJE-CQSZACIVSA-N 1 0 271.307 2.237 10 0 CEAERO C[NH2+][C@@](C)(CO)COc1ccccc1C(C)(C)C ZINC000085283269 179000744 /nfs/dbraw/zinc/00/07/44/179000744.db2.gz ZNZSKSLOJXJUQW-HNNXBMFYSA-N 1 0 251.370 2.333 10 0 CEAERO CC[NH2+][C@@](CO)(COc1ccc(C)cc1C)C1CC1 ZINC000085283404 179001649 /nfs/dbraw/zinc/00/16/49/179001649.db2.gz PDURWANWJBXWJJ-INIZCTEOSA-N 1 0 263.381 2.433 10 0 CEAERO C[C@@](CO)(CCOc1ccccc1F)[NH2+]C1CC1 ZINC000085284455 179001876 /nfs/dbraw/zinc/00/18/76/179001876.db2.gz DXPBSQSAJMLXDI-AWEZNQCLSA-N 1 0 253.317 2.098 10 0 CEAERO CC[NH2+][C@@](CO)(COc1cc(C)ccc1C)C1CC1 ZINC000085284526 179001965 /nfs/dbraw/zinc/00/19/65/179001965.db2.gz AOKJMDRVJMJSLQ-INIZCTEOSA-N 1 0 263.381 2.433 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)COc1cccc(F)c1F ZINC000085266320 178996931 /nfs/dbraw/zinc/99/69/31/178996931.db2.gz SOXDIHQRPMDKGH-ZDUSSCGKSA-N 1 0 259.296 2.093 10 0 CEAERO Cc1ccc(C)c(OC[C@](C)(CO)[NH2+]C2CC2)c1C ZINC000085286263 179003857 /nfs/dbraw/zinc/00/38/57/179003857.db2.gz UJWRPRNERFABLP-INIZCTEOSA-N 1 0 263.381 2.494 10 0 CEAERO CCCOC[C@](CO)([NH2+]C(C)C)c1ccccc1 ZINC000085286607 179003899 /nfs/dbraw/zinc/00/38/99/179003899.db2.gz KOOXIAOMDSTRPX-HNNXBMFYSA-N 1 0 251.370 2.299 10 0 CEAERO CCCOc1ccc(O[C@@H](C)C[C@](C)([NH3+])CO)cc1 ZINC000085286151 179003969 /nfs/dbraw/zinc/00/39/69/179003969.db2.gz YVZGSZOIIJFAJU-WFASDCNBSA-N 1 0 267.369 2.343 10 0 CEAERO Cc1ccc2[nH]c(SCC[C@](C)([NH3+])CO)nc2c1 ZINC000085288299 179004968 /nfs/dbraw/zinc/00/49/68/179004968.db2.gz XRJQJFFHRVXQPY-ZDUSSCGKSA-N 1 0 265.382 2.063 10 0 CEAERO CCC[NH2+][C@@](C)(CO)C[C@H](C)Sc1cnccn1 ZINC000085289712 179006195 /nfs/dbraw/zinc/00/61/95/179006195.db2.gz IRLFLMMLFAJRBU-WCQYABFASA-N 1 0 269.414 2.098 10 0 CEAERO C[NH2+][C@@H](CO)CCSc1ccc2c(c1)CCC2 ZINC000085292948 179008670 /nfs/dbraw/zinc/00/86/70/179008670.db2.gz XPVVOBABLMKSLK-CYBMUJFWSA-N 1 0 251.395 2.238 10 0 CEAERO CCC[NH2+][C@@](C)(CO)CCCSc1ncc(C)cn1 ZINC000085297730 179009101 /nfs/dbraw/zinc/00/91/01/179009101.db2.gz HACOVOHDWPBALL-CQSZACIVSA-N 1 0 283.441 2.408 10 0 CEAERO CCSC[C@@](CO)([NH2+]C1CC1)c1ccccc1 ZINC000085298600 179009423 /nfs/dbraw/zinc/00/94/23/179009423.db2.gz KNUWXHJIUUAYGA-CQSZACIVSA-N 1 0 251.395 2.379 10 0 CEAERO C[NH2+][C@@](C)(CO)C[C@H](C)Oc1cc(C)cc(C)c1 ZINC000085284776 179002957 /nfs/dbraw/zinc/00/29/57/179002957.db2.gz AFQHQOKZAVTXAJ-DZGCQCFKSA-N 1 0 251.370 2.431 10 0 CEAERO CCC[NH2+][C@](C)(CO)C[C@@H](C)Sc1nccn1C ZINC000085299181 179010587 /nfs/dbraw/zinc/01/05/87/179010587.db2.gz HFPFPQDBTXISIQ-YPMHNXCESA-N 1 0 271.430 2.041 10 0 CEAERO CCCCCCOC[C@@](O)(C[NH3+])c1ccccc1 ZINC000085305536 179011953 /nfs/dbraw/zinc/01/19/53/179011953.db2.gz UOXMRYSDRWEBIX-HNNXBMFYSA-N 1 0 251.370 2.430 10 0 CEAERO Cc1cc(C)c(OCCC[C@](C)(O)C[NH3+])c(C)c1 ZINC000085305328 179012044 /nfs/dbraw/zinc/01/20/44/179012044.db2.gz XFFWZHAIZYISEI-HNNXBMFYSA-N 1 0 251.370 2.481 10 0 CEAERO [NH3+]C[C@H](O)CCOc1ccccc1-c1ccccc1 ZINC000085306430 179012458 /nfs/dbraw/zinc/01/24/58/179012458.db2.gz QFUMQDIXKMUYAI-CQSZACIVSA-N 1 0 257.333 2.442 10 0 CEAERO Cc1ccccc1CSC[C@](O)(C[NH3+])C1CC1 ZINC000085308114 179013341 /nfs/dbraw/zinc/01/33/41/179013341.db2.gz PKFUEPIPDDAZMH-CQSZACIVSA-N 1 0 251.395 2.328 10 0 CEAERO C[C@@](O)(C[NH3+])CCSc1nc2ccccc2s1 ZINC000085320524 179014471 /nfs/dbraw/zinc/01/44/71/179014471.db2.gz VHUWEMBXODOBAD-LBPRGKRZSA-N 1 0 268.407 2.488 10 0 CEAERO CC(C)C[C@H](C)[N@H+](C)C[C@@](O)(CN)c1ccccc1 ZINC000085301397 179010323 /nfs/dbraw/zinc/01/03/23/179010323.db2.gz HAAJEMOSNDNNOX-HOCLYGCPSA-N 1 0 264.413 2.199 10 0 CEAERO CO[C@@H]1CCC[C@@H](OC(=O)[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000085331277 179020669 /nfs/dbraw/zinc/02/06/69/179020669.db2.gz FMYRGLNOEYXYGV-LPWJVIDDSA-N 1 0 255.358 2.005 10 0 CEAERO COc1cc(OC)c(NC(=O)[C@H]2CCC[C@@H]2[NH3+])cc1Cl ZINC000085356104 179030254 /nfs/dbraw/zinc/03/02/54/179030254.db2.gz BCFMUXUTARZPJL-WPRPVWTQSA-N 1 0 298.770 2.423 10 0 CEAERO COc1ccc(OC)c(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000085356069 179030445 /nfs/dbraw/zinc/03/04/45/179030445.db2.gz UDXNQIZBVBHJHI-RYUDHWBXSA-N 1 0 278.352 2.160 10 0 CEAERO C[C@H](NC(=O)[C@H]1CCCC[C@@H]1[NH3+])c1cccc(O)c1 ZINC000085359759 179031759 /nfs/dbraw/zinc/03/17/59/179031759.db2.gz AGWJXPXNXNHATP-BPNCWPANSA-N 1 0 262.353 2.087 10 0 CEAERO COC(=O)c1cc(C)ccc1NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085360433 179032282 /nfs/dbraw/zinc/03/22/82/179032282.db2.gz OWRLRYZDCQWCPN-YPMHNXCESA-N 1 0 290.363 2.238 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1ccccc1-n1ccnc1 ZINC000085359945 179032643 /nfs/dbraw/zinc/03/26/43/179032643.db2.gz UKFGJJJZEVTGPO-OLZOCXBDSA-N 1 0 284.363 2.328 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])o1 ZINC000085361019 179033041 /nfs/dbraw/zinc/03/30/41/179033041.db2.gz PWKMXZKBOHFRSK-UTUOFQBUSA-N 1 0 250.342 2.283 10 0 CEAERO CCOc1ccc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])cc1OC ZINC000085362652 179033902 /nfs/dbraw/zinc/03/39/02/179033902.db2.gz IEAUCPIGPRDQSN-VXGBXAGGSA-N 1 0 278.352 2.160 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000085364599 179036008 /nfs/dbraw/zinc/03/60/08/179036008.db2.gz SMSMHZXFYBVUMD-GJZGRUSLSA-N 1 0 273.380 2.353 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1cccc2c[nH]nc21 ZINC000085364484 179035130 /nfs/dbraw/zinc/03/51/30/179035130.db2.gz KCUFZRCVDFRJGZ-GHMZBOCLSA-N 1 0 258.325 2.019 10 0 CEAERO c1csc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)c1 ZINC000105905198 136528027 /nfs/dbraw/zinc/52/80/27/136528027.db2.gz WFSKXAXOTNMSOJ-LBPRGKRZSA-N 1 0 274.393 2.297 10 0 CEAERO CN(Cc1ccccc1Cl)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085366598 179037062 /nfs/dbraw/zinc/03/70/62/179037062.db2.gz JGNOITNTGVERIL-AAEUAGOBSA-N 1 0 266.772 2.426 10 0 CEAERO CCc1nc2cc(NC(=O)[C@H]3CCC[C@@H]3[NH3+])ccc2o1 ZINC000085366300 179037094 /nfs/dbraw/zinc/03/70/94/179037094.db2.gz IYXDLMOPBUPGFT-QWRGUYRKSA-N 1 0 273.336 2.456 10 0 CEAERO CN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085367989 179037424 /nfs/dbraw/zinc/03/74/24/179037424.db2.gz KKIWIKUBIQJWEC-SMDDNHRTSA-N 1 0 282.334 2.441 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)N(Cc1ccco1)C1CC1 ZINC000085368004 179037509 /nfs/dbraw/zinc/03/75/09/179037509.db2.gz XLQBKFWHVCXZRM-ZIAGYGMSSA-N 1 0 262.353 2.288 10 0 CEAERO COc1ccc(CN(C(=O)[C@@H]2CCC[C@H]2[NH3+])C2CC2)cc1 ZINC000085367191 179037673 /nfs/dbraw/zinc/03/76/73/179037673.db2.gz URLGTHWSKMKFRD-HZPDHXFCSA-N 1 0 288.391 2.314 10 0 CEAERO COc1ccccc1[C@@H](C)N(C)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085368149 179038159 /nfs/dbraw/zinc/03/81/59/179038159.db2.gz YYUGCOIBMJTFJI-XBFCOCLRSA-N 1 0 276.380 2.342 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CN2CCCC2)C1(C)C ZINC000085397834 179049966 /nfs/dbraw/zinc/04/99/66/179049966.db2.gz OWKCHZROBPVBSW-MELADBBJSA-N 1 0 254.418 2.264 10 0 CEAERO CC(C)N(Cc1ccccn1)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085368840 179038672 /nfs/dbraw/zinc/03/86/72/179038672.db2.gz AXBWEACENCZBKG-HUUCEWRRSA-N 1 0 275.396 2.336 10 0 CEAERO C[C@H](c1cccs1)N(C)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085369133 179038683 /nfs/dbraw/zinc/03/86/83/179038683.db2.gz SXDAXGLJLRDSOH-MXWKQRLJSA-N 1 0 252.383 2.395 10 0 CEAERO CN(CCc1ccccc1)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085368717 179038808 /nfs/dbraw/zinc/03/88/08/179038808.db2.gz UHVJYMNMZFYOPH-LSDHHAIUSA-N 1 0 260.381 2.205 10 0 CEAERO C[C@H](NC(=O)[C@H]1CCC[C@@H]1[NH3+])c1ccc(F)cc1 ZINC000085370718 179040821 /nfs/dbraw/zinc/04/08/21/179040821.db2.gz BVGXPJHKMJJQHB-XDTLVQLUSA-N 1 0 250.317 2.130 10 0 CEAERO CC(=O)c1cccc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000085372107 179041916 /nfs/dbraw/zinc/04/19/16/179041916.db2.gz ZMAQRRVXOCICNV-KBPBESRZSA-N 1 0 260.337 2.345 10 0 CEAERO C[C@H](O)c1ccccc1NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085372681 179042134 /nfs/dbraw/zinc/04/21/34/179042134.db2.gz XZZMXFFPXHVTDW-DRZSPHRISA-N 1 0 262.353 2.196 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)NCCCOc1ccccc1 ZINC000085374034 179042648 /nfs/dbraw/zinc/04/26/48/179042648.db2.gz QIWMNLJWMOSBGK-HUUCEWRRSA-N 1 0 276.380 2.089 10 0 CEAERO COc1ccc(N(C)C(=O)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000085373450 179042657 /nfs/dbraw/zinc/04/26/57/179042657.db2.gz ZEXKBXNYLLXGRA-ZIAGYGMSSA-N 1 0 262.353 2.176 10 0 CEAERO C[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085374697 179043205 /nfs/dbraw/zinc/04/32/05/179043205.db2.gz 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CEAERO COc1cccc(CN2C[C@H](C3CC3)[NH2+]CC[C@@H]2C)n1 ZINC000085626532 179106991 /nfs/dbraw/zinc/10/69/91/179106991.db2.gz HFLITRMRVOMXIZ-SWLSCSKDSA-N 1 0 275.396 2.053 10 0 CEAERO CC(C)c1nc2c(n1[C@@H](C)Cn1ccnc1)CC[NH2+]C2 ZINC000085573564 179099691 /nfs/dbraw/zinc/09/96/91/179099691.db2.gz VGJVLMYVLLVEBF-LBPRGKRZSA-N 1 0 273.384 2.110 10 0 CEAERO COC(=O)CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000599397968 346514062 /nfs/dbraw/zinc/51/40/62/346514062.db2.gz WJDSTWFMRUAXAC-RBSFLKMASA-N 1 0 283.412 2.345 10 0 CEAERO COCCCn1c2c(nc1C1CCCC1)C[NH2+]CC2 ZINC000085606187 179100429 /nfs/dbraw/zinc/10/04/29/179100429.db2.gz BGAMTDRFHDNYDC-UHFFFAOYSA-N 1 0 263.385 2.223 10 0 CEAERO C[C@@H]1CC[NH2+]CCN1Cc1ccn(C2CCCC2)n1 ZINC000085622380 179105283 /nfs/dbraw/zinc/10/52/83/179105283.db2.gz BYMRZYQRFCDJKX-CYBMUJFWSA-N 1 0 262.401 2.182 10 0 CEAERO CC[C@H](C)NC(=O)CC[NH2+][C@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085674948 179111899 /nfs/dbraw/zinc/11/18/99/179111899.db2.gz USQDZTDIZWIZAT-JURCDPSOSA-N 1 0 282.428 2.084 10 0 CEAERO CCN(CC)C(=O)CC[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085674484 179111905 /nfs/dbraw/zinc/11/19/05/179111905.db2.gz AZMOLUOCRILPIY-CFVMTHIKSA-N 1 0 282.428 2.038 10 0 CEAERO CCC(=O)[C@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC000085682160 179113721 /nfs/dbraw/zinc/11/37/21/179113721.db2.gz VOVMOHGYRZMMRQ-ZDUSSCGKSA-N 1 0 252.402 2.304 10 0 CEAERO Cc1nc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C2(C)C)cs1 ZINC000085636590 179109933 /nfs/dbraw/zinc/10/99/33/179109933.db2.gz WVZXBKWBPPZLJA-WOPDTQHZSA-N 1 0 252.383 2.355 10 0 CEAERO COc1ccc(C(=O)O[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000100740665 185723675 /nfs/dbraw/zinc/72/36/75/185723675.db2.gz HDLNHIIKSUHARQ-ITGUQSILSA-N 1 0 291.347 2.144 10 0 in-vitro CEAERO Cc1sc2ncnc(N3CC[C@H]4[NH2+]CC[C@@H]4C3)c2c1C ZINC000261710370 282492219 /nfs/dbraw/zinc/49/22/19/282492219.db2.gz JIKQULCKNHFELQ-VXGBXAGGSA-N 1 0 288.420 2.496 10 0 CEAERO Cc1sc2ncnc(N3CC[C@H](C[NH3+])C3)c2c1C ZINC000050249487 282492239 /nfs/dbraw/zinc/49/22/39/282492239.db2.gz HTOWLNZIPBLUAX-SNVBAGLBSA-N 1 0 262.382 2.093 10 0 CEAERO Cc1ccc(C)c(OCCCN2CC[C@@H]([NH3+])[C@@H]2C)c1 ZINC000336813867 365854816 /nfs/dbraw/zinc/85/48/16/365854816.db2.gz VTFWRBGHLSCMLL-LSDHHAIUSA-N 1 0 262.397 2.494 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]C[C@@](C)(O)C2CC2)c1C ZINC000336817437 365861580 /nfs/dbraw/zinc/86/15/80/365861580.db2.gz QIDKLMYFTFEHPF-MEBBXXQBSA-N 1 0 265.401 2.331 10 0 CEAERO COc1ccc(F)cc1C[NH2+][C@@H]1CCCC[C@H]1CO ZINC000336818300 365863241 /nfs/dbraw/zinc/86/32/41/365863241.db2.gz UXQPPOMCALXJGZ-SMDDNHRTSA-N 1 0 267.344 2.475 10 0 CEAERO CN(C)C(=O)C1=CC[N@H+](Cc2cccc(F)c2)CC1 ZINC000064541803 362786845 /nfs/dbraw/zinc/78/68/45/362786845.db2.gz IKVVFPMPIFKNAQ-UHFFFAOYSA-N 1 0 262.328 2.046 10 0 CEAERO [NH3+][C@@]1(C(=O)Nc2ccc(Cl)c(Cl)c2)CCOC1 ZINC000085867812 179192116 /nfs/dbraw/zinc/19/21/16/179192116.db2.gz YSAMLKHHIDWOFB-NSHDSACASA-N 1 0 275.135 2.050 10 0 CEAERO [NH3+][C@@]1(C(=O)Nc2ccc(Cl)cc2Cl)CCOC1 ZINC000085867397 179192250 /nfs/dbraw/zinc/19/22/50/179192250.db2.gz XMASOSHBJPTOLP-NSHDSACASA-N 1 0 275.135 2.050 10 0 CEAERO CC(C)C[C@H](NC(=O)[C@]1([NH3+])CCOC1)c1ccccc1 ZINC000085872129 179193547 /nfs/dbraw/zinc/19/35/47/179193547.db2.gz WDOMSUFMCRWZAX-HOCLYGCPSA-N 1 0 276.380 2.008 10 0 CEAERO C[C@@H](C[NH3+])[C@@](C)(O)c1ccccc1Br ZINC000085899482 179195988 /nfs/dbraw/zinc/19/59/88/179195988.db2.gz SUGDBXXEFOLVBC-GZMMTYOYSA-N 1 0 258.159 2.251 10 0 CEAERO COc1ccc(Br)cc1[C@H](O)[C@@H](C)C[NH3+] ZINC000085902365 179196158 /nfs/dbraw/zinc/19/61/58/179196158.db2.gz NNMJHNGJLHLFSH-WRWORJQWSA-N 1 0 274.158 2.086 10 0 CEAERO Cc1ccc(F)cc1C(=O)NC[C@@H]1CCCC[C@H]1[NH3+] ZINC000085965291 179205308 /nfs/dbraw/zinc/20/53/08/179205308.db2.gz BTZHSIUPOMZHMK-SMDDNHRTSA-N 1 0 264.344 2.381 10 0 CEAERO Cc1ccc(F)cc1C(=O)NC[C@H]1CCCC[C@H]1[NH3+] ZINC000085965297 179205552 /nfs/dbraw/zinc/20/55/52/179205552.db2.gz BTZHSIUPOMZHMK-BXUZGUMPSA-N 1 0 264.344 2.381 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1CNC(=O)c1cccc(F)c1 ZINC000085967120 179206073 /nfs/dbraw/zinc/20/60/73/179206073.db2.gz ZQLJLMPWHILOAG-YPMHNXCESA-N 1 0 250.317 2.073 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1CNC(=O)c1ccc(F)cc1 ZINC000085967177 179206249 /nfs/dbraw/zinc/20/62/49/179206249.db2.gz KOSIDZDOEMMBEP-WCQYABFASA-N 1 0 250.317 2.073 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1CNC(=O)c1cccc(F)c1F ZINC000085966856 179206261 /nfs/dbraw/zinc/20/62/61/179206261.db2.gz XTSCAGPXGYZXPG-CABZTGNLSA-N 1 0 268.307 2.212 10 0 CEAERO CC(C)c1nn(C)cc1C[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000085973478 179207496 /nfs/dbraw/zinc/20/74/96/179207496.db2.gz PFVRYLMFGRMVCC-OCCSQVGLSA-N 1 0 265.401 2.184 10 0 CEAERO C[C@@H]1CN(c2ncc(Br)cc2C[NH3+])C[C@H]1C ZINC000086012403 179214851 /nfs/dbraw/zinc/21/48/51/179214851.db2.gz SAOQCLKGZJFOCF-RKDXNWHRSA-N 1 0 284.201 2.395 10 0 CEAERO CCn1c(C[NH3+])nnc1SC/C(Cl)=C/Cl ZINC000086000321 179214864 /nfs/dbraw/zinc/21/48/64/179214864.db2.gz URLDSXSFANIHOH-UTCJRWHESA-N 1 0 267.185 2.168 10 0 CEAERO CCc1ccc([C@@H]([NH2+]C)[C@H]2CCS(=O)(=O)C2)s1 ZINC000086020349 179217630 /nfs/dbraw/zinc/21/76/30/179217630.db2.gz YZHFNFZCKRBEKH-CABZTGNLSA-N 1 0 273.423 2.006 10 0 CEAERO CCCCCCOC[C@H](O)C[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000085985416 179211225 /nfs/dbraw/zinc/21/12/25/179211225.db2.gz MPDKOWHXBWOAHS-OAGGEKHMSA-N 1 0 287.444 2.085 10 0 CEAERO Cc1ccccc1NC(=O)C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000085985800 179211817 /nfs/dbraw/zinc/21/18/17/179211817.db2.gz OGLNYZGOYOEVNT-ZFWWWQNUSA-N 1 0 276.380 2.074 10 0 CEAERO [NH3+][C@H](CCC(=O)NC[C@@H]1CCCC[C@@H]1O)c1ccccc1 ZINC000085987045 179212010 /nfs/dbraw/zinc/21/20/10/179212010.db2.gz BIXRALDNYXSIER-XHSDSOJGSA-N 1 0 290.407 2.134 10 0 CEAERO Cc1ccc(NC(=O)C[NH2+]C[C@H]2CCCC[C@@H]2O)cc1 ZINC000085986641 179212388 /nfs/dbraw/zinc/21/23/88/179212388.db2.gz SDNPEKRRBDMOFV-HIFRSBDPSA-N 1 0 276.380 2.074 10 0 CEAERO CC[NH2+][C@H]1CC[C@H](S(=O)(=O)C2CCCC2)[C@@H]1C ZINC000086042024 179223072 /nfs/dbraw/zinc/22/30/72/179223072.db2.gz JAJKHDZLBAWRKA-WXHSDQCUSA-N 1 0 259.415 2.120 10 0 CEAERO C[C@H]1[C@H]([NH2+]Cc2nc3ccccc3c(=O)[nH]2)CC[C@@H]1C ZINC000086075551 179225746 /nfs/dbraw/zinc/22/57/46/179225746.db2.gz VVBCGMGKFMFOPL-DMDPSCGWSA-N 1 0 271.364 2.447 10 0 CEAERO C[C@@H]1CC[C@@H](NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)[C@@H]1C ZINC000086075941 179225787 /nfs/dbraw/zinc/22/57/87/179225787.db2.gz BPGHXTITUGMJOX-BHTHQVBYSA-N 1 0 272.392 2.252 10 0 CEAERO C[C@H]1[C@@H]([NH3+])CC[C@@H]1S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000086041447 179222000 /nfs/dbraw/zinc/22/20/00/179222000.db2.gz PUENWPHRGHUBNJ-QILRFPOHSA-N 1 0 291.775 2.379 10 0 CEAERO Cc1ccc(S(=O)(=O)[C@H]2CC[C@@H]([NH3+])[C@@H]2C)c(C)c1 ZINC000086040636 179222296 /nfs/dbraw/zinc/22/22/96/179222296.db2.gz DUACJZRGKGVFHF-SCRDCRAPSA-N 1 0 267.394 2.203 10 0 CEAERO CC[C@H]1CC[C@H]([NH2+]CC(=O)N2CCCCC2)[C@@H]1C ZINC000086097652 179229684 /nfs/dbraw/zinc/22/96/84/179229684.db2.gz QCNGREGFBFBAJX-RDBSUJKOSA-N 1 0 252.402 2.413 10 0 CEAERO CC[C@@H]1CC[C@H](n2nnnc2C[NH2+]C(C)C)[C@@H]1C ZINC000086107325 179231097 /nfs/dbraw/zinc/23/10/97/179231097.db2.gz IGBKZRBPJPXATM-UTUOFQBUSA-N 1 0 251.378 2.168 10 0 CEAERO CC[C@]1(C)CN(CCc2ccc(OC)cc2)CC[NH2+]1 ZINC000086122938 179235624 /nfs/dbraw/zinc/23/56/24/179235624.db2.gz ZVEIPALQHXYOBU-MRXNPFEDSA-N 1 0 262.397 2.312 10 0 CEAERO c1cncc(CCN2CC[NH2+][C@@H](C3CCCCC3)C2)c1 ZINC000086141941 179236764 /nfs/dbraw/zinc/23/67/64/179236764.db2.gz KEQGEQPGWUBVHY-QGZVFWFLSA-N 1 0 273.424 2.478 10 0 CEAERO c1ccc([C@@H]2C[N@H+](CC[C@@H]3CCCO3)CCN2)cc1 ZINC000086145619 179237737 /nfs/dbraw/zinc/23/77/37/179237737.db2.gz QKHPYFAHMXFQSJ-HOTGVXAUSA-N 1 0 260.381 2.202 10 0 CEAERO Cc1nccc(CN2CC[NH2+][C@@H](C3CCCCC3)C2)n1 ZINC000086146300 179238678 /nfs/dbraw/zinc/23/86/78/179238678.db2.gz WYDKJRFDKZZLJM-MRXNPFEDSA-N 1 0 274.412 2.139 10 0 CEAERO CC[C@@H]1CC[C@@H](NC(=O)COc2ccc(C[NH3+])cc2)[C@@H]1C ZINC000086082848 179228098 /nfs/dbraw/zinc/22/80/98/179228098.db2.gz CVJCNOFCZVZZLR-XNRPHZJLSA-N 1 0 290.407 2.465 10 0 CEAERO CC(C)C[C@@H]1CN(CCc2nccs2)CC[NH2+]1 ZINC000086148919 179239907 /nfs/dbraw/zinc/23/99/07/179239907.db2.gz WAXKVFXLFNBUBD-GFCCVEGCSA-N 1 0 253.415 2.006 10 0 CEAERO COc1ccc(CN2CC[NH2+]C3(CCCC3)C2)c(OC)c1 ZINC000086149319 179240286 /nfs/dbraw/zinc/24/02/86/179240286.db2.gz FZJPMYCCWXSBNB-UHFFFAOYSA-N 1 0 290.407 2.422 10 0 CEAERO c1ccc2c(c1)OC[C@H]2N1CC[NH2+]C2(CCCC2)C1 ZINC000086150065 179240321 /nfs/dbraw/zinc/24/03/21/179240321.db2.gz HNRFVYJTPGCJKL-CQSZACIVSA-N 1 0 258.365 2.338 10 0 CEAERO CC[C@H](C)[C@H]1CN(c2cnn(C)c2)[C@H](C(C)C)C[NH2+]1 ZINC000086154176 179241401 /nfs/dbraw/zinc/24/14/01/179241401.db2.gz FASZLCIGJOMJTO-CFVMTHIKSA-N 1 0 264.417 2.269 10 0 CEAERO CC[C@H]1C[NH2+]CCN1[C@@H](C)Cc1ccc(F)cc1 ZINC000086177780 179247264 /nfs/dbraw/zinc/24/72/64/179247264.db2.gz JZDAZCDDDOHMPG-WFASDCNBSA-N 1 0 250.361 2.441 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C(C)C)CN1CCc1ccncc1 ZINC000086171905 179242853 /nfs/dbraw/zinc/24/28/53/179242853.db2.gz HMKVVNDAXPATAQ-CVEARBPZSA-N 1 0 261.413 2.333 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](Cc2ccccc2)CN1[C@@H]1CCCOC1 ZINC000086175682 179245302 /nfs/dbraw/zinc/24/53/02/179245302.db2.gz DNAVZVLHSQHVPU-KZNAEPCWSA-N 1 0 288.435 2.461 10 0 CEAERO C1=C[C@H]([N@@H+]2CC[C@H](N3CCOCC3)C2)CCCCC1 ZINC000606432036 347471596 /nfs/dbraw/zinc/47/15/96/347471596.db2.gz PGDCOUZNZRTYST-HOTGVXAUSA-N 1 0 264.413 2.282 10 0 CEAERO COC[C@@H](C)CN1CC[NH2+][C@H](C2CCCCC2)C1 ZINC000086146671 179238828 /nfs/dbraw/zinc/23/88/28/179238828.db2.gz VMSVGTGVFOICRM-ZFWWWQNUSA-N 1 0 254.418 2.123 10 0 CEAERO CC[C@H]1CN(c2cnn(C)c2)[C@H](c2ccccc2)C[NH2+]1 ZINC000086218385 179249357 /nfs/dbraw/zinc/24/93/57/179249357.db2.gz UPMJQVKTCHCUQA-HOCLYGCPSA-N 1 0 270.380 2.350 10 0 CEAERO CC[C@@H]1C[NH2+][C@@](C)(CC)CN1c1cnn(CC)c1 ZINC000086218536 179249961 /nfs/dbraw/zinc/24/99/61/179249961.db2.gz LEKOWLQNQLWSDS-OCCSQVGLSA-N 1 0 250.390 2.260 10 0 CEAERO C[C@H]1C[NH2+][C@@](C)(C2CC2)CN1CCc1ccccn1 ZINC000086221435 179250901 /nfs/dbraw/zinc/25/09/01/179250901.db2.gz OPZXTHZIMUYOGY-XJKSGUPXSA-N 1 0 259.397 2.087 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C2CC2)CN1Cc1nccs1 ZINC000086226848 179253789 /nfs/dbraw/zinc/25/37/89/179253789.db2.gz QXPPOMDZKIWDRI-VXGBXAGGSA-N 1 0 251.399 2.106 10 0 CEAERO CC[NH2+][C@H]1C(=O)Nc2cc(OC)c(Br)cc21 ZINC000086233100 179254667 /nfs/dbraw/zinc/25/46/67/179254667.db2.gz KQQNJKSOUYIROC-SNVBAGLBSA-N 1 0 285.141 2.060 10 0 CEAERO Cc1nccc(CN2CC3(CCCCC3)[NH2+]C[C@H]2C)n1 ZINC000086260206 179258976 /nfs/dbraw/zinc/25/89/76/179258976.db2.gz HZEVAFKIYVLBPH-CYBMUJFWSA-N 1 0 274.412 2.282 10 0 CEAERO CO[C@H]1CCC[C@H]1[N@@H+]1C[C@H](C2CC2)NC[C@@H]1C(C)C ZINC000086261342 179260636 /nfs/dbraw/zinc/26/06/36/179260636.db2.gz MRVRMLWNVNZKDC-FPCVCCKLSA-N 1 0 266.429 2.262 10 0 CEAERO CC[C@@H]1CN(CCc2nc(C)cs2)[C@@H](CC)C[NH2+]1 ZINC000086264246 179260902 /nfs/dbraw/zinc/26/09/02/179260902.db2.gz YPGWULZHUQSSIB-OLZOCXBDSA-N 1 0 267.442 2.456 10 0 CEAERO COc1ccc(CN2CC3(CCCC3)[NH2+]C[C@@H]2C)cn1 ZINC000086263934 179260908 /nfs/dbraw/zinc/26/09/08/179260908.db2.gz RVBQOLOYLUAOQO-ZDUSSCGKSA-N 1 0 275.396 2.197 10 0 CEAERO COc1cc(CN2C[C@@H](CC(C)C)[NH2+]C[C@@H]2C)ccn1 ZINC000086263850 179260946 /nfs/dbraw/zinc/26/09/46/179260946.db2.gz OYFIYAUCUVWANY-DZGCQCFKSA-N 1 0 277.412 2.299 10 0 CEAERO CC(C)C[C@@H]1CN(CCc2nccs2)[C@@H](C)C[NH2+]1 ZINC000086264332 179261285 /nfs/dbraw/zinc/26/12/85/179261285.db2.gz HDSCGGLDZGBRRJ-QWHCGFSZSA-N 1 0 267.442 2.394 10 0 CEAERO COc1cc(CN2C[C@](C)(C3CC3)[NH2+]C[C@@H]2C)ccn1 ZINC000086263820 179261407 /nfs/dbraw/zinc/26/14/07/179261407.db2.gz FIJTZWWSOLUTCG-BLLLJJGKSA-N 1 0 275.396 2.053 10 0 CEAERO CC[C@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1ccnc(OC)c1 ZINC000086263812 179261413 /nfs/dbraw/zinc/26/14/13/179261413.db2.gz KJWWFKRFJZNXDH-DOTOQJQBSA-N 1 0 289.423 2.443 10 0 CEAERO CC[C@@H]1CNC2(CCCC2)C[N@@H+]1[C@@H]1CCCOC1 ZINC000086265211 179261992 /nfs/dbraw/zinc/26/19/92/179261992.db2.gz ASDMEQHZHFXJNJ-ZIAGYGMSSA-N 1 0 252.402 2.162 10 0 CEAERO CC[C@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1cscn1 ZINC000086265416 179262210 /nfs/dbraw/zinc/26/22/10/179262210.db2.gz QFDGJUIWBHAASM-KBPBESRZSA-N 1 0 265.426 2.496 10 0 CEAERO C[NH+](C)CCCNc1nc(Br)cs1 ZINC000086278668 179262795 /nfs/dbraw/zinc/26/27/95/179262795.db2.gz SEEJHDBWZWXHQG-UHFFFAOYSA-N 1 0 264.192 2.269 10 0 CEAERO CN(CC(C)(C)O)c1cc(Br)ccc1C[NH3+] ZINC000086274395 179262979 /nfs/dbraw/zinc/26/29/79/179262979.db2.gz NHWLEGHMTCEILW-UHFFFAOYSA-N 1 0 287.201 2.115 10 0 CEAERO Cn1cc(N2CCC[NH2+][C@H](C3CCCCC3)C2)cn1 ZINC000086287144 179264214 /nfs/dbraw/zinc/26/42/14/179264214.db2.gz IGQJHXOXZXDZTC-HNNXBMFYSA-N 1 0 262.401 2.169 10 0 CEAERO CC[C@H](C)[C@H]1CN(CCc2ccccn2)CCC[NH2+]1 ZINC000086288175 179264311 /nfs/dbraw/zinc/26/43/11/179264311.db2.gz VZYSIVFLYFNYAO-GOEBONIOSA-N 1 0 261.413 2.334 10 0 CEAERO CC[C@@H]1CN[C@H](C2CC2)C[N@@H+]1CC[C@@H]1CCCO1 ZINC000086258835 179257044 /nfs/dbraw/zinc/25/70/44/179257044.db2.gz IVMCWBGVQGNIPB-ILXRZTDVSA-N 1 0 252.402 2.018 10 0 CEAERO C[C@H]1CN[C@@H](C(C)(C)C)C[N@@H+]1CC[C@@H]1CCCO1 ZINC000086258898 179257226 /nfs/dbraw/zinc/25/72/26/179257226.db2.gz SAOUKWKZUGIBCS-MELADBBJSA-N 1 0 254.418 2.264 10 0 CEAERO Brc1csc(NC[C@@H]2CCCC[NH2+]2)n1 ZINC000086290631 179265548 /nfs/dbraw/zinc/26/55/48/179265548.db2.gz PGAWGHKQCXWITO-ZETCQYMHSA-N 1 0 276.203 2.460 10 0 CEAERO C[C@@H]([NH3+])C1CCN(c2nc(Br)cs2)CC1 ZINC000086290814 179265660 /nfs/dbraw/zinc/26/56/60/179265660.db2.gz DLNZNBLIXQDRBV-SSDOTTSWSA-N 1 0 290.230 2.469 10 0 CEAERO Cc1cc(CN2CCC[NH2+][C@H](C(C)(C)C)C2)on1 ZINC000086292751 179266182 /nfs/dbraw/zinc/26/61/82/179266182.db2.gz BTTNFHQLCUNOPI-ZDUSSCGKSA-N 1 0 251.374 2.193 10 0 CEAERO CCOC[C@@H](C)[N@@H+]1CCCN[C@H](c2ccccc2)C1 ZINC000086292055 179266712 /nfs/dbraw/zinc/26/67/12/179266712.db2.gz HPMYSJQUSXMVLE-ZBFHGGJFSA-N 1 0 262.397 2.448 10 0 CEAERO Cc1nn([C@@H](C)[C@H](C)C[NH3+])c(C)c1Br ZINC000086312854 179268805 /nfs/dbraw/zinc/26/88/05/179268805.db2.gz CDHHYAWMRDZYII-SVRRBLITSA-N 1 0 260.179 2.418 10 0 CEAERO C[C@@H](C(=O)Nc1ncccc1O)[C@@H]([NH3+])c1ccccc1 ZINC000128605021 187380142 /nfs/dbraw/zinc/38/01/42/187380142.db2.gz UTRDLOIFSRMIAT-ZWNOBZJWSA-N 1 0 271.320 2.062 10 0 CEAERO CCOC1CCN(c2nc3c(s2)CCC[C@H]3[NH3+])CC1 ZINC000086443114 179293381 /nfs/dbraw/zinc/29/33/81/179293381.db2.gz JNLPQOREJLBVIX-LLVKDONJSA-N 1 0 281.425 2.485 10 0 CEAERO Cn1cc(C[NH3+])c(-c2ccc(F)c(Br)c2)n1 ZINC000086443027 179293447 /nfs/dbraw/zinc/29/34/47/179293447.db2.gz FMPMHJGOIDSXHI-UHFFFAOYSA-N 1 0 284.132 2.447 10 0 CEAERO O=C1CCCc2sc(N3CC[C@@H]([NH+]4CCCC4)C3)nc21 ZINC000086441796 179293531 /nfs/dbraw/zinc/29/35/31/179293531.db2.gz IVUHTTSZTWJLSP-LLVKDONJSA-N 1 0 291.420 2.337 10 0 CEAERO O=C1CCCc2sc(N3CCC[N@@H+]4CCC[C@@H]4C3)nc21 ZINC000086441780 179294188 /nfs/dbraw/zinc/29/41/88/179294188.db2.gz JUQCURWFNRVSFH-LLVKDONJSA-N 1 0 291.420 2.337 10 0 CEAERO CN(c1nc2c(s1)CCC[C@@H]2O)[C@H]1CCC[N@H+](C)C1 ZINC000086444515 179294763 /nfs/dbraw/zinc/29/47/63/179294763.db2.gz YPPAHIKZSHAKNX-QWRGUYRKSA-N 1 0 281.425 2.043 10 0 CEAERO CC[C@@H]1CN(C(=O)c2ccc3[nH]cnc3c2)[C@H](CC)C[NH2+]1 ZINC000086447565 179295352 /nfs/dbraw/zinc/29/53/52/179295352.db2.gz VABLBBDBJCNYGK-CHWSQXEVSA-N 1 0 286.379 2.166 10 0 CEAERO CC[C@@H]1CN(C(=O)[C@H]2CC=CCC2)[C@@H](CC)C[NH2+]1 ZINC000086447875 179295477 /nfs/dbraw/zinc/29/54/77/179295477.db2.gz INRDTEBNMUFDCW-MJBXVCDLSA-N 1 0 250.386 2.332 10 0 CEAERO CN(CCc1cccs1)Cc1ccc[nH+]c1NN ZINC000086441619 179292642 /nfs/dbraw/zinc/29/26/42/179292642.db2.gz FVAPCXAPVVKYCD-UHFFFAOYSA-N 1 0 262.382 2.103 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)c1cccn1CC ZINC000086447728 179295965 /nfs/dbraw/zinc/29/59/65/179295965.db2.gz WUXLUARSSATBOD-QWHCGFSZSA-N 1 0 263.385 2.111 10 0 CEAERO C[NH2+][C@@H]1CCCc2sc(C[C@H]3CCCO3)nc21 ZINC000086439078 179292812 /nfs/dbraw/zinc/29/28/12/179292812.db2.gz RJTUFSSWSQBNRF-NXEZZACHSA-N 1 0 252.383 2.461 10 0 CEAERO CCCc1ccc(NC(=O)CN2C[C@@H](C)[NH2+]C[C@@H]2C)cc1 ZINC000086470630 179300302 /nfs/dbraw/zinc/30/03/02/179300302.db2.gz GCZDJJJWBOFWJD-KGLIPLIRSA-N 1 0 289.423 2.260 10 0 CEAERO [NH3+][C@H]1COC[C@@H]1c1nc2ccc(Br)cc2s1 ZINC000086479303 179300338 /nfs/dbraw/zinc/30/03/38/179300338.db2.gz NZARRPHTFJZGSE-YUMQZZPRSA-N 1 0 299.193 2.500 10 0 CEAERO [NH3+][C@@H]1COC[C@@H]1c1nc2ccc(Br)cc2s1 ZINC000086479306 179300780 /nfs/dbraw/zinc/30/07/80/179300780.db2.gz NZARRPHTFJZGSE-JGVFFNPUSA-N 1 0 299.193 2.500 10 0 CEAERO C[NH2+][C@H](C)[C@@H](C)c1nc([C@@H]2Cc3ccccc32)no1 ZINC000086492085 179302589 /nfs/dbraw/zinc/30/25/89/179302589.db2.gz ZXJBECQHNOYTAE-GIPNMCIBSA-N 1 0 257.337 2.469 10 0 CEAERO CC[NH2+][C@H](CCCS(C)(=O)=O)[C@@H]1Cc2ccccc21 ZINC000086489529 179302672 /nfs/dbraw/zinc/30/26/72/179302672.db2.gz NEKUXURYOAIPIP-HUUCEWRRSA-N 1 0 281.421 2.129 10 0 CEAERO CC[NH2+][C@@H](Cc1cnn(C)c1)[C@@H]1Cc2ccccc21 ZINC000086489552 179302681 /nfs/dbraw/zinc/30/26/81/179302681.db2.gz BUFJINHTCYRRNL-CVEARBPZSA-N 1 0 255.365 2.281 10 0 CEAERO CC(C)(C)[NH2+]Cc1cc(=O)[nH]c([C@H]2Cc3ccccc32)n1 ZINC000086492501 179302723 /nfs/dbraw/zinc/30/27/23/179302723.db2.gz BGAOLUYGWDTMTP-AWEZNQCLSA-N 1 0 283.375 2.346 10 0 CEAERO COc1cc(C[NH2+]CCN(C)C)c(SC)cc1OC ZINC000086498469 179303369 /nfs/dbraw/zinc/30/33/69/179303369.db2.gz GOMWHEOPMJHSTM-UHFFFAOYSA-N 1 0 284.425 2.077 10 0 CEAERO COC(OC)[C@H]([NH3+])Cc1ccc(F)cc1Br ZINC000086451791 179296410 /nfs/dbraw/zinc/29/64/10/179296410.db2.gz ROVOTBOFFILFDJ-SNVBAGLBSA-N 1 0 292.148 2.077 10 0 CEAERO CC[C@@H]1CN(C[C@@H]2COc3ccccc3O2)[C@@H](CC)C[NH2+]1 ZINC000086465383 179297181 /nfs/dbraw/zinc/29/71/81/179297181.db2.gz OGGKKHMDWMIQDG-QLFBSQMISA-N 1 0 290.407 2.289 10 0 CEAERO CC(C)Oc1cccc(C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)c1 ZINC000086467424 179298265 /nfs/dbraw/zinc/29/82/65/179298265.db2.gz TWZJVUPBZGDGBF-QWHCGFSZSA-N 1 0 276.380 2.296 10 0 CEAERO C[C@@H]1CN(C(=O)NC23CC4CC(CC(C4)C2)C3)[C@H](C)C[NH2+]1 ZINC000086468369 179299688 /nfs/dbraw/zinc/29/96/88/179299688.db2.gz MYMQQYLAMOWXRI-INOYMQOOSA-N 1 0 291.439 2.347 10 0 CEAERO COc1ccc2[nH]c([C@]3(C(F)(F)F)CC[NH2+]C3)nc2c1 ZINC000086568334 179308140 /nfs/dbraw/zinc/30/81/40/179308140.db2.gz HCDNUGVVXPGUCK-LBPRGKRZSA-N 1 0 285.269 2.365 10 0 CEAERO CC[NH2+]C[C@H]1OCCN(C)[C@@H]1c1ccc(OC)c(Cl)c1 ZINC000086584937 179309078 /nfs/dbraw/zinc/30/90/78/179309078.db2.gz UHFPKZVEXTXUIL-HUUCEWRRSA-N 1 0 298.814 2.330 10 0 CEAERO O=C(C1CCCCCCC1)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC000086578354 179309515 /nfs/dbraw/zinc/30/95/15/179309515.db2.gz OOJVDCWJMHMAOU-UONOGXRCSA-N 1 0 250.386 2.167 10 0 CEAERO COc1ccc([C@@H]2[C@@H](C[NH3+])OCCN2C2CC2)cc1Cl ZINC000086585000 179310226 /nfs/dbraw/zinc/31/02/26/179310226.db2.gz VYWCGGGKRLSYDZ-HUUCEWRRSA-N 1 0 296.798 2.212 10 0 CEAERO COC[C@@H](C)N(C)[C@@H](C[NH3+])c1ccc(OC)c(Cl)c1 ZINC000086594972 179310652 /nfs/dbraw/zinc/31/06/52/179310652.db2.gz LKZKLDQXUDUOOA-MFKMUULPSA-N 1 0 286.803 2.315 10 0 CEAERO CC[C@H](C)[NH2+][C@@H](C(N)=O)c1ccc(OC)c(Cl)c1 ZINC000086595457 179311119 /nfs/dbraw/zinc/31/11/19/179311119.db2.gz NGFNCWVUZCLBDJ-QPUJVOFHSA-N 1 0 270.760 2.263 10 0 CEAERO CCC(CC)(CC)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000086643157 179315614 /nfs/dbraw/zinc/31/56/14/179315614.db2.gz WGDKOFAWQGIEJW-AWEZNQCLSA-N 1 0 278.396 2.347 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H](c2ccc3c(c2)OCCCO3)OC1 ZINC000086633803 179314978 /nfs/dbraw/zinc/31/49/78/179314978.db2.gz CQEYFQXNXMJFAZ-IAQYHMDHSA-N 1 0 263.337 2.145 10 0 CEAERO CCC[NH2+][C@H](Cc1ccccc1)[C@@H]1CN(CC)CCO1 ZINC000086654270 179316548 /nfs/dbraw/zinc/31/65/48/179316548.db2.gz OJIVXIHFRVVDPP-SJORKVTESA-N 1 0 276.424 2.318 10 0 CEAERO CS(=O)(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CCCCCC1 ZINC000086671045 179317515 /nfs/dbraw/zinc/31/75/15/179317515.db2.gz UUBJBOCMMPNYQB-QWHCGFSZSA-N 1 0 259.415 2.265 10 0 CEAERO COc1ccccc1[C@@H](C)[NH2+][C@H]1CCC[C@@H]1S(C)(=O)=O ZINC000086670962 179317721 /nfs/dbraw/zinc/31/77/21/179317721.db2.gz XGDJQPLWVUYWDO-ZLDLUXBVSA-N 1 0 297.420 2.312 10 0 CEAERO C[C@@H]([NH2+][C@H]1CCC[C@@H]1S(C)(=O)=O)c1cccc(F)c1 ZINC000086671743 179317863 /nfs/dbraw/zinc/31/78/63/179317863.db2.gz AFWNDTIXQKPNOU-SWHYSGLUSA-N 1 0 285.384 2.442 10 0 CEAERO C[C@H](CCc1ccco1)[NH2+][C@H]1CCC[C@@H]1S(C)(=O)=O ZINC000086671616 179317934 /nfs/dbraw/zinc/31/79/34/179317934.db2.gz RNALUSOTVSSQRP-XBFCOCLRSA-N 1 0 285.409 2.156 10 0 CEAERO C[NH+](C)Cc1ccc(N[C@H]2CCC[C@H]2S(C)(=O)=O)cc1 ZINC000086674570 179318284 /nfs/dbraw/zinc/31/82/84/179318284.db2.gz GDTHOQZPYLYLEH-LSDHHAIUSA-N 1 0 296.436 2.126 10 0 CEAERO CS(=O)(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000086675631 179318468 /nfs/dbraw/zinc/31/84/68/179318468.db2.gz UEGJZJYQRRIVLU-STQMWFEESA-N 1 0 289.347 2.020 10 0 CEAERO CC(C)C1CCC(C[NH3+])(OCC(=O)NC(C)(C)C)CC1 ZINC000086713579 179322619 /nfs/dbraw/zinc/32/26/19/179322619.db2.gz IDODDKPNLAALFY-UHFFFAOYSA-N 1 0 284.444 2.461 10 0 CEAERO CCNC(=O)[C@@H](C)OC1(C[NH3+])CCC(C(C)(C)C)CC1 ZINC000086713629 179322901 /nfs/dbraw/zinc/32/29/01/179322901.db2.gz DDYLMOYXPCJVTH-VEAWUBTESA-N 1 0 284.444 2.461 10 0 CEAERO COC(=O)CCOC1(C[NH3+])CCC(C(C)C)CC1 ZINC000086713526 179322920 /nfs/dbraw/zinc/32/29/20/179322920.db2.gz AXFZUVLYXXNBIJ-UHFFFAOYSA-N 1 0 257.374 2.110 10 0 CEAERO CC[C@@H](OC1(C[NH3+])CCC(C(C)(C)C)CC1)C(N)=O ZINC000086713637 179323012 /nfs/dbraw/zinc/32/30/12/179323012.db2.gz UNEWJPALTQXQRV-MQYJIDSJSA-N 1 0 270.417 2.201 10 0 CEAERO C[N@@H+]1CCC[C@@H](Nc2cccc(C(=O)NC3CC3)c2)CC1 ZINC000086817306 179345222 /nfs/dbraw/zinc/34/52/22/179345222.db2.gz CEXYHJHCLNMIDF-CQSZACIVSA-N 1 0 287.407 2.475 10 0 CEAERO CC[C@@H](C)n1ccc(C[C@]2(O)CCC[N@H+](C)CC2)n1 ZINC000086834217 179350184 /nfs/dbraw/zinc/35/01/84/179350184.db2.gz XXIKZOJQYUGJBC-HIFRSBDPSA-N 1 0 265.401 2.243 10 0 CEAERO CC[N@@H+]1CCC[C@H](Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000086839554 179351613 /nfs/dbraw/zinc/35/16/13/179351613.db2.gz CJZXPLKAJHZDCK-ZDUSSCGKSA-N 1 0 286.383 2.153 10 0 CEAERO Cc1n[nH]cc1CN[C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086841955 179352581 /nfs/dbraw/zinc/35/25/81/179352581.db2.gz GIYKAADSBPLMLO-CQSZACIVSA-N 1 0 250.390 2.071 10 0 CEAERO CC(C)[N@@H+]1CCC[C@H]([NH+]2CCC(C(=O)[O-])CC2)CC1 ZINC000086868582 179360141 /nfs/dbraw/zinc/36/01/41/179360141.db2.gz RQHSTKNHSMITQO-AWEZNQCLSA-N 1 0 268.401 2.046 10 0 CEAERO CC(C)[N@@H+]1CCC[C@@](CO)(NCc2cccs2)CC1 ZINC000086868243 179360824 /nfs/dbraw/zinc/36/08/24/179360824.db2.gz WWYYMBHIWNMFJN-OAHLLOKOSA-N 1 0 282.453 2.463 10 0 CEAERO CCCn1cc([C@@]2(O)CCC[N@@H+](C(C)C)CC2)cn1 ZINC000086867769 179360958 /nfs/dbraw/zinc/36/09/58/179360958.db2.gz NVRRGIPJDFSKAG-OAHLLOKOSA-N 1 0 265.401 2.375 10 0 CEAERO CCC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000086869164 179362268 /nfs/dbraw/zinc/36/22/68/179362268.db2.gz ALYZLIAABOTFHN-SOUVJXGZSA-N 1 0 282.428 2.484 10 0 CEAERO CC[N@@H+]1CCC[C@H]([NH+]2CCC(CCC(=O)[O-])CC2)CC1 ZINC000086868875 179362423 /nfs/dbraw/zinc/36/24/23/179362423.db2.gz JDQMXOBPQHJORO-HNNXBMFYSA-N 1 0 282.428 2.438 10 0 CEAERO CCC[N@@H+]1CCC[C@@H]([NH+]2CCCC[C@@H]2C(=O)[O-])CC1 ZINC000086868604 179362918 /nfs/dbraw/zinc/36/29/18/179362918.db2.gz AJBCWHYSSWPDIK-ZIAGYGMSSA-N 1 0 268.401 2.190 10 0 CEAERO COc1c(C)cnc(C[C@]2([NH3+])CCCOCC2)c1C ZINC000086870390 179363526 /nfs/dbraw/zinc/36/35/26/179363526.db2.gz YEIRVQPCAMNYIO-HNNXBMFYSA-N 1 0 264.369 2.148 10 0 CEAERO CCCN[C@@]1(C(=O)OCC)CCC[N@@H+](C(C)C)CC1 ZINC000086849841 179358146 /nfs/dbraw/zinc/35/81/46/179358146.db2.gz OPIVPUICOQQWTM-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CCOc1cccc([C@H]([NH3+])CCCS(=O)(=O)CC)c1 ZINC000086978428 179372707 /nfs/dbraw/zinc/37/27/07/179372707.db2.gz LEGAXWDSPWSMFS-CQSZACIVSA-N 1 0 285.409 2.300 10 0 CEAERO CCC[NH2+][C@H]([C@H]1CCOC1)[C@@H]1CSCCS1 ZINC000086984602 179374000 /nfs/dbraw/zinc/37/40/00/179374000.db2.gz BNWHNSFSEKOHPC-SDDRHHMPSA-N 1 0 261.456 2.240 10 0 CEAERO CCS(=O)(=O)CCC[C@H](Cc1ccc(C)cc1)[NH2+]C ZINC000086979293 179373045 /nfs/dbraw/zinc/37/30/45/179373045.db2.gz JQKRUIVFWSEOEF-OAHLLOKOSA-N 1 0 283.437 2.340 10 0 CEAERO C[C@@H]1CN(Cc2ccc(Br)o2)CC[C@@H]1[NH3+] ZINC000086884220 179365382 /nfs/dbraw/zinc/36/53/82/179365382.db2.gz ZZSMPRBWZBEBLS-SCZZXKLOSA-N 1 0 273.174 2.211 10 0 CEAERO CCOC(=O)[C@]1(N2CC[NH2+]CC2)CCC[C@H](CC)CC1 ZINC000086915891 179366944 /nfs/dbraw/zinc/36/69/44/179366944.db2.gz RWOWLNLRKFRRRZ-HOCLYGCPSA-N 1 0 282.428 2.184 10 0 CEAERO CC[C@@H]1CCC[C@](C(=O)OC)(N2CCC[NH2+]CC2)CC1 ZINC000086915575 179367110 /nfs/dbraw/zinc/36/71/10/179367110.db2.gz LEZZCOSONMPSRY-ZBFHGGJFSA-N 1 0 282.428 2.184 10 0 CEAERO CCC[C@@H]1CCC[C@@](CO)([NH2+]CCN(C)C)CC1 ZINC000086952243 179368806 /nfs/dbraw/zinc/36/88/06/179368806.db2.gz ATFRPCCYEIIOFE-HUUCEWRRSA-N 1 0 256.434 2.249 10 0 CEAERO CCOC(=O)[C@]1(N2CC[NH2+]CC2)CCC[C@@H](C(C)C)CC1 ZINC000086949881 179368986 /nfs/dbraw/zinc/36/89/86/179368986.db2.gz AMFPOLYYOGLISH-WBVHZDCISA-N 1 0 296.455 2.430 10 0 CEAERO C[NH2+][C@H]1CCCCC[C@@H]1c1nc(CCCOC)no1 ZINC000086971960 179370692 /nfs/dbraw/zinc/37/06/92/179370692.db2.gz WUPZVXGSUBZONB-RYUDHWBXSA-N 1 0 267.373 2.284 10 0 CEAERO CCC[NH2+][C@H](CCCOC)Cc1ccnc(N)c1 ZINC000086970760 179370769 /nfs/dbraw/zinc/37/07/69/179370769.db2.gz SGJHWAHEJGDAFS-CYBMUJFWSA-N 1 0 251.374 2.001 10 0 CEAERO CC[C@@H]([NH3+])c1ccc(OCCCS(=O)(=O)CC)cc1 ZINC000086972639 179371607 /nfs/dbraw/zinc/37/16/07/179371607.db2.gz UNOQRCKPMYJLMX-CQSZACIVSA-N 1 0 285.409 2.300 10 0 CEAERO CC[C@@](C)(O)C[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000087013582 179379599 /nfs/dbraw/zinc/37/95/99/179379599.db2.gz ZQFPXAFSAAKQGO-OAHLLOKOSA-N 1 0 265.353 2.099 10 0 CEAERO CCC(O)(CC)CNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000087027252 179381849 /nfs/dbraw/zinc/38/18/49/179381849.db2.gz DMFZJPIASQWBPF-AWEZNQCLSA-N 1 0 278.396 2.134 10 0 CEAERO CC[NH2+]Cc1sc([C@@H]2CSCCO2)nc1C ZINC000086990265 179375155 /nfs/dbraw/zinc/37/51/55/179375155.db2.gz KZLITRRHTNWEBK-VIFPVBQESA-N 1 0 258.412 2.366 10 0 CEAERO COCC[NH2+]CC(=O)Nc1ccc(Cl)cc1Cl ZINC000066224475 362856500 /nfs/dbraw/zinc/85/65/00/362856500.db2.gz ZMGLXSPMKMTMFU-UHFFFAOYSA-N 1 0 277.151 2.168 10 0 CEAERO COc1ccc([C@H]2[C@@H]([NH3+])CCCCN2C)cc1F ZINC000086995351 179375891 /nfs/dbraw/zinc/37/58/91/179375891.db2.gz RDKGYDONTTYWES-JSGCOSHPSA-N 1 0 252.333 2.318 10 0 CEAERO CCN1CCC[C@H]([NH3+])[C@@H]1c1ccc(OC)c(F)c1 ZINC000086995355 179375965 /nfs/dbraw/zinc/37/59/65/179375965.db2.gz ORLWSRNDRGMVTA-JSGCOSHPSA-N 1 0 252.333 2.318 10 0 CEAERO C[NH2+][C@H](Cc1ncc[nH]1)c1c(F)cc(F)cc1F ZINC000086996563 179376721 /nfs/dbraw/zinc/37/67/21/179376721.db2.gz DCUJLFQTQGTABP-SNVBAGLBSA-N 1 0 255.243 2.330 10 0 CEAERO CC1CCC(O)(C[NH2+][C@@H]2CCCCC[C@@H]2O)CC1 ZINC000087061776 179389454 /nfs/dbraw/zinc/38/94/54/179389454.db2.gz ZFIYQIGZILOBNL-FUUBYGMNSA-N 1 0 255.402 2.211 10 0 CEAERO CC1(C)CCC(O)(C[NH2+]CC2CCOCC2)CC1 ZINC000087046209 179387934 /nfs/dbraw/zinc/38/79/34/179387934.db2.gz VQLIHURMEFHQPK-UHFFFAOYSA-N 1 0 255.402 2.334 10 0 CEAERO Cc1cccc(NC(=O)C[NH2+]CC2(O)CCCCC2)c1 ZINC000087029274 179382232 /nfs/dbraw/zinc/38/22/32/179382232.db2.gz JSMQVLRKVHCCSO-UHFFFAOYSA-N 1 0 276.380 2.218 10 0 CEAERO CCOc1cccc(N2CCC[C@@H]2C[NH2+]C(C)C)n1 ZINC000104119374 185898750 /nfs/dbraw/zinc/89/87/50/185898750.db2.gz JJXSAPSKUMXZHW-CYBMUJFWSA-N 1 0 263.385 2.447 10 0 CEAERO CCC1CCC(O)(C[NH2+][C@@H](C)C(=O)NC(C)(C)C)CC1 ZINC000087066081 179390204 /nfs/dbraw/zinc/39/02/04/179390204.db2.gz XGCUWTFAAWTFPR-FUJMWEONSA-N 1 0 284.444 2.211 10 0 CEAERO CC1(C)CCC(O)(CNC(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000087068792 179391185 /nfs/dbraw/zinc/39/11/85/179391185.db2.gz YWJCDWHHAIQJJF-CQSZACIVSA-N 1 0 290.407 2.134 10 0 CEAERO CCC1CCC(O)(CN2CCC[C@@H]([NH2+]C3CC3)C2=O)CC1 ZINC000087071340 179391549 /nfs/dbraw/zinc/39/15/49/179391549.db2.gz PBDWCGDYHYDRFH-GNHJJJEISA-N 1 0 294.439 2.061 10 0 CEAERO CC[C@H](C)SC[C@@H](Cc1cccnc1N)[NH2+]C ZINC000087135407 179396731 /nfs/dbraw/zinc/39/67/31/179396731.db2.gz DQQVIZRPVBQZMX-CMPLNLGQSA-N 1 0 253.415 2.326 10 0 CEAERO CC[NH2+][C@@H](C[C@H]1CCCO1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000087213770 179402492 /nfs/dbraw/zinc/40/24/92/179402492.db2.gz ZUDMCYSCORSLOA-YPMHNXCESA-N 1 0 275.352 2.076 10 0 CEAERO C[NH2+][C@@H](c1ccc(Br)o1)[C@@H]1CCCO1 ZINC000087284931 179407699 /nfs/dbraw/zinc/40/76/99/179407699.db2.gz HOAJEIMSRFDOBQ-OIBJUYFYSA-N 1 0 260.131 2.482 10 0 CEAERO C[NH2+][C@H](Cc1nc(CSCC(C)C)no1)C1CC1 ZINC000087125877 179396233 /nfs/dbraw/zinc/39/62/33/179396233.db2.gz RGJZBTLTXFYMTF-LLVKDONJSA-N 1 0 269.414 2.499 10 0 CEAERO [NH3+][C@H](Cc1ccc(Br)s1)c1ncc[nH]1 ZINC000087340939 179414742 /nfs/dbraw/zinc/41/47/42/179414742.db2.gz YOGVSAQGICSLAO-SSDOTTSWSA-N 1 0 272.171 2.476 10 0 CEAERO CC(C)(C)[NH2+]CCCc1ncc([C@@H]2CCOC2)o1 ZINC000087347184 179415085 /nfs/dbraw/zinc/41/50/85/179415085.db2.gz CAUPTSAPXMZEJD-LLVKDONJSA-N 1 0 252.358 2.499 10 0 CEAERO COc1ccc([C@@H](C[NH3+])[C@@H](O)c2ccoc2C)cc1 ZINC000087353942 179415622 /nfs/dbraw/zinc/41/56/22/179415622.db2.gz VGFYSTOCEBHYGB-CABCVRRESA-N 1 0 261.321 2.373 10 0 CEAERO C[C@@H](CCC[NH3+])Nc1ccc(Br)cn1 ZINC000087362283 179416018 /nfs/dbraw/zinc/41/60/18/179416018.db2.gz HKBWLWDEHKBQDI-QMMMGPOBSA-N 1 0 258.163 2.383 10 0 CEAERO COc1cc([C@H](C[NH3+])[C@H](O)c2ccoc2)ccc1C ZINC000087377159 179417360 /nfs/dbraw/zinc/41/73/60/179417360.db2.gz YFWLXXZJBWSYPU-DZGCQCFKSA-N 1 0 261.321 2.373 10 0 CEAERO CCC[NH2+]CCc1nnc(-c2snnc2C(C)(C)C)o1 ZINC000087457223 179428273 /nfs/dbraw/zinc/42/82/73/179428273.db2.gz CTTRPLPRPPTHEK-UHFFFAOYSA-N 1 0 295.412 2.428 10 0 CEAERO Cc1nn(C)cc1-c1c[nH]c(C[C@@H]([NH3+])c2ccccc2)n1 ZINC000087410763 179422324 /nfs/dbraw/zinc/42/23/24/179422324.db2.gz JWGIQMWAWRJPTG-CQSZACIVSA-N 1 0 281.363 2.361 10 0 CEAERO Cc1nn(C)cc1-c1c[nH]c(CC[NH2+]C(C)(C)C)n1 ZINC000087410821 179422697 /nfs/dbraw/zinc/42/26/97/179422697.db2.gz GZFSWXXKFSWXQU-UHFFFAOYSA-N 1 0 261.373 2.049 10 0 CEAERO Cc1nc(-c2ccn(C)n2)nc(C)c1[C@@H](C)C[NH2+]C1CC1 ZINC000087426416 179424288 /nfs/dbraw/zinc/42/42/88/179424288.db2.gz SAJWNCQUURETDC-JTQLQIEISA-N 1 0 285.395 2.349 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2c[nH]nc2C)C12CCOCC2 ZINC000248633329 539638369 /nfs/dbraw/zinc/63/83/69/539638369.db2.gz IXOWLVRIFRPZKS-KCPJHIHWSA-N 1 0 293.411 2.343 10 0 CEAERO C[C@@H](CC[NH3+])C(=O)N(C)Cc1ccc(Cl)s1 ZINC000087635565 179460068 /nfs/dbraw/zinc/46/00/68/179460068.db2.gz MOMJGQSJKYXLEZ-QMMMGPOBSA-N 1 0 260.790 2.345 10 0 CEAERO CC[NH2+]C[C@@H]1CCCN(c2nc(C(C)C)ns2)C1 ZINC000087643746 179462749 /nfs/dbraw/zinc/46/27/49/179462749.db2.gz VEPMNOYQBOJWOW-NSHDSACASA-N 1 0 268.430 2.487 10 0 CEAERO O[C@@H](Cc1ccccc1Br)[C@H]1CCC[NH2+]C1 ZINC000087650782 179463734 /nfs/dbraw/zinc/46/37/34/179463734.db2.gz FRJPEINSGNUKEA-AAEUAGOBSA-N 1 0 284.197 2.352 10 0 CEAERO CCc1nsc(N[C@]2(C[NH3+])CCC[C@H](C)C2)n1 ZINC000087644456 179463750 /nfs/dbraw/zinc/46/37/50/179463750.db2.gz WBYYNNVWVXXDJQ-JOYOIKCWSA-N 1 0 254.403 2.420 10 0 CEAERO C[NH2+][C@H](C)[C@@H](c1nc(C2CCOCC2)no1)C(C)C ZINC000087812698 179490427 /nfs/dbraw/zinc/49/04/27/179490427.db2.gz IKAPUAWAWDFIIM-PWSUYJOCSA-N 1 0 267.373 2.311 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)Nc1ccc(-c2nnco2)cc1C ZINC000087522698 179440137 /nfs/dbraw/zinc/44/01/37/179440137.db2.gz XPDRDZJQBZJPRR-LBPRGKRZSA-N 1 0 288.351 2.359 10 0 CEAERO CC[C@H](C[NH3+])C(=O)N(CC)Cc1ccc(OC)c(F)c1 ZINC000087524531 179440732 /nfs/dbraw/zinc/44/07/32/179440732.db2.gz OTTGUGZZMYCWDE-GFCCVEGCSA-N 1 0 282.359 2.168 10 0 CEAERO CC[C@H](C[NH3+])C(=O)N(CC)[C@@H](C)c1cccc(O)c1 ZINC000087528369 179441164 /nfs/dbraw/zinc/44/11/64/179441164.db2.gz QTWHWSMLNLOYQA-NWDGAFQWSA-N 1 0 264.369 2.287 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)NCc1ccccc1Br ZINC000087533083 179442097 /nfs/dbraw/zinc/44/20/97/179442097.db2.gz MAOVDUHMOQGLCV-JTQLQIEISA-N 1 0 299.212 2.440 10 0 CEAERO C[NH2+]CCCc1c(C)nc(C2CCOCC2)nc1C ZINC000087812347 179490325 /nfs/dbraw/zinc/49/03/25/179490325.db2.gz FEEAANUXGXPQBQ-UHFFFAOYSA-N 1 0 263.385 2.139 10 0 CEAERO FC(F)(F)Cc1noc([C@H]2C[NH2+]Cc3ccccc32)n1 ZINC000087611718 179454361 /nfs/dbraw/zinc/45/43/61/179454361.db2.gz IOEZQODUFWZKGZ-JTQLQIEISA-N 1 0 283.253 2.410 10 0 CEAERO CC(C)(C)OC(=O)Nc1cccc([C@@H]2C[NH2+]CCN2)c1 ZINC000616653035 348549178 /nfs/dbraw/zinc/54/91/78/348549178.db2.gz GLQLUBJDCWLAFC-ZDUSSCGKSA-N 1 0 277.368 2.268 10 0 CEAERO CCC[C@H](C[NH3+])c1nc([C@H]2COc3ccccc3O2)no1 ZINC000087855896 179501940 /nfs/dbraw/zinc/50/19/40/179501940.db2.gz CXSNVONHMCFTHN-ZWNOBZJWSA-N 1 0 289.335 2.425 10 0 CEAERO CC(C)=CC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccccc1 ZINC000616569800 348523455 /nfs/dbraw/zinc/52/34/55/348523455.db2.gz KHAAPPJMKUWTHJ-LSDHHAIUSA-N 1 0 258.365 2.215 10 0 CEAERO CC1(C(=O)N2CC[C@@H](c3cccc(F)c3)[C@@H]([NH3+])C2)CC1 ZINC000616569816 348523613 /nfs/dbraw/zinc/52/36/13/348523613.db2.gz KSUKZZVUXBNAEG-KBPBESRZSA-N 1 0 276.355 2.269 10 0 CEAERO [NH3+][C@@H]1CN(C(=O)CC2CC2)CC[C@@H]1c1cccc(F)c1 ZINC000616570037 348523632 /nfs/dbraw/zinc/52/36/32/348523632.db2.gz LLKGXOLQWNTFPA-HUUCEWRRSA-N 1 0 276.355 2.269 10 0 CEAERO CCC[NH2+][C@@H](CCC(F)(F)F)[C@@H]1COCCO1 ZINC000087858478 179503133 /nfs/dbraw/zinc/50/31/33/179503133.db2.gz ZVKGUFIOOFKDRO-UWVGGRQHSA-N 1 0 255.280 2.113 10 0 CEAERO Cc1nc(N[C@H](C)c2nccs2)c(C)c(NN)[nH+]1 ZINC000087881388 179509465 /nfs/dbraw/zinc/50/94/65/179509465.db2.gz SLEMXJOVUNVOGW-SSDOTTSWSA-N 1 0 264.358 2.009 10 0 CEAERO C[C@H]1CC[C@H](Nc2nc(NN)[nH+]cc2F)C[C@@H]1C ZINC000087882427 179510103 /nfs/dbraw/zinc/51/01/03/179510103.db2.gz DMBRTWMSGVSPQK-CIUDSAMLSA-N 1 0 253.325 2.138 10 0 CEAERO OCc1ccccc1[C@@H]1C[NH2+]CCN1Cc1ccccc1 ZINC000616605207 348532470 /nfs/dbraw/zinc/53/24/70/348532470.db2.gz WRABLGWPLAQLBO-SFHVURJKSA-N 1 0 282.387 2.325 10 0 CEAERO CCOC(=O)c1cccc([C@@H]2CCCC[N@H+](CCO)C2)c1 ZINC000616605651 348532597 /nfs/dbraw/zinc/53/25/97/348532597.db2.gz SNEBAJUZECRLPT-MRXNPFEDSA-N 1 0 291.391 2.425 10 0 CEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H](c2c[nH]cn2)C1 ZINC000616620568 348537059 /nfs/dbraw/zinc/53/70/59/348537059.db2.gz QSSAOAPUECGYOP-GFCCVEGCSA-N 1 0 294.399 2.114 10 0 CEAERO NNc1cc(Nc2ccc(Br)cc2)nc[nH+]1 ZINC000087896800 179515719 /nfs/dbraw/zinc/51/57/19/179515719.db2.gz FYJRBBSIURSABU-UHFFFAOYSA-N 1 0 280.129 2.268 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH3+])[C@H]1CCc2ccccc21 ZINC000088030107 179537022 /nfs/dbraw/zinc/53/70/22/179537022.db2.gz URIOGGRHIRVPDJ-GJZGRUSLSA-N 1 0 281.421 2.259 10 0 CEAERO C[C@H]([NH3+])C[S@](=O)Cc1ccc(Br)cc1F ZINC000088069840 179543881 /nfs/dbraw/zinc/54/38/81/179543881.db2.gz DARZVADCMBAWKO-NZFNHWASSA-N 1 0 294.189 2.184 10 0 CEAERO C[C@H](C[NH3+])C[S@](=O)Cc1ccc(F)cc1Cl ZINC000088089207 179546961 /nfs/dbraw/zinc/54/69/61/179546961.db2.gz POQWSNKJHQXVIN-VPTHRUTESA-N 1 0 263.765 2.323 10 0 CEAERO CC(C)[NH2+]C[C@@H](CCS(C)(=O)=O)c1ccccc1 ZINC000088098206 179547079 /nfs/dbraw/zinc/54/70/79/179547079.db2.gz WMNWBTMTYCEPMO-CQSZACIVSA-N 1 0 269.410 2.203 10 0 CEAERO C[NH+]1CCC(O)(CCc2ccc3c(c2)CCO3)CC1 ZINC000088103258 179549011 /nfs/dbraw/zinc/54/90/11/179549011.db2.gz QOPYCUHAAZAKTJ-UHFFFAOYSA-N 1 0 261.365 2.011 10 0 CEAERO C[NH2+][C@@H]1CCCc2c(OCCC(=O)OC)cccc21 ZINC000088151445 179557854 /nfs/dbraw/zinc/55/78/54/179557854.db2.gz JVGAITVUIHPGLJ-CYBMUJFWSA-N 1 0 263.337 2.225 10 0 CEAERO CC(C)C[C@@H](C[NH3+])CC(=O)N[C@H](C)c1cccnc1 ZINC000088276168 179574036 /nfs/dbraw/zinc/57/40/36/179574036.db2.gz AHYNSMIYARDIFQ-CHWSQXEVSA-N 1 0 263.385 2.270 10 0 CEAERO c1ccc(C[N@@H+]2CCOC[C@H](c3ncccn3)C2)cc1 ZINC000616663457 348553633 /nfs/dbraw/zinc/55/36/33/348553633.db2.gz PRQAKBOHQLRQGJ-OAHLLOKOSA-N 1 0 269.348 2.093 10 0 CEAERO c1c[nH]c([C@H]2CC[N@H+](Cc3ccccc3)CCO2)n1 ZINC000616662905 348553718 /nfs/dbraw/zinc/55/37/18/348553718.db2.gz LLRIWCVRKNWTIN-CQSZACIVSA-N 1 0 257.337 2.373 10 0 CEAERO CCOc1ncccc1NC(=O)C[C@H](C[NH3+])CC(C)C ZINC000088276681 179574095 /nfs/dbraw/zinc/57/40/95/179574095.db2.gz HEGWJVWPKUTDLN-GFCCVEGCSA-N 1 0 279.384 2.430 10 0 CEAERO [NH3+]CCN1CC[C@H](c2cccc(CO)c2)c2ccccc21 ZINC000616674425 348556478 /nfs/dbraw/zinc/55/64/78/348556478.db2.gz GIYRXAAHPIXJIB-MRXNPFEDSA-N 1 0 282.387 2.480 10 0 CEAERO [NH3+]CCN1CC[C@H](c2cccnc2)c2ccccc21 ZINC000616674307 348556737 /nfs/dbraw/zinc/55/67/37/348556737.db2.gz DCTGFYWDIBHVIX-CQSZACIVSA-N 1 0 253.349 2.382 10 0 CEAERO CC(C)(C)OC(=O)NCCN1CC[C@H]([NH3+])c2ccccc21 ZINC000616675082 348557547 /nfs/dbraw/zinc/55/75/47/348557547.db2.gz HPLSPLMJMKAUFX-ZDUSSCGKSA-N 1 0 291.395 2.421 10 0 CEAERO [NH3+]CCN1C[C@H](c2ccccc2CCO)Nc2ccccc21 ZINC000616684795 348560071 /nfs/dbraw/zinc/56/00/71/348560071.db2.gz OBAXQEFRDLXLKG-QGZVFWFLSA-N 1 0 297.402 2.153 10 0 CEAERO CC(C)[N@@H+]1CCO[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000616686969 348560691 /nfs/dbraw/zinc/56/06/91/348560691.db2.gz NJECUKVFOGBVPX-LBPRGKRZSA-N 1 0 272.389 2.010 10 0 CEAERO Nc1cccc([C@@H]2CN(CC[NH3+])c3ccccc3N2)c1 ZINC000616691472 348562052 /nfs/dbraw/zinc/56/20/52/348562052.db2.gz BJBXJMTVHMCUDI-HNNXBMFYSA-N 1 0 268.364 2.201 10 0 CEAERO Cc1noc(NC(=O)[C@@](C)([NH3+])c2ccccc2)c1C ZINC000088245571 179570121 /nfs/dbraw/zinc/57/01/21/179570121.db2.gz LXDFSNDABWWYKQ-AWEZNQCLSA-N 1 0 259.309 2.104 10 0 CEAERO CCC(O)(CC)C[NH2+]CCOc1ccccc1OC ZINC000088401678 179593185 /nfs/dbraw/zinc/59/31/85/179593185.db2.gz MCCSORPALUHTCI-UHFFFAOYSA-N 1 0 267.369 2.215 10 0 CEAERO CCOc1ccccc1OCC[C@](C)(C[NH3+])[C@@H](C)O ZINC000088415947 179596382 /nfs/dbraw/zinc/59/63/82/179596382.db2.gz JIFFGBYAOQPQNT-IUODEOHRSA-N 1 0 267.369 2.200 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccccn1)N(C)CCC(F)(F)F ZINC000088416678 179596434 /nfs/dbraw/zinc/59/64/34/179596434.db2.gz KEPPOJVDFXYMKN-MWLCHTKSSA-N 1 0 261.291 2.354 10 0 CEAERO Cc1cc(F)ccc1NC(=O)[C@H]1C[NH2+]C[C@H](C)C1 ZINC000088449652 179606082 /nfs/dbraw/zinc/60/60/82/179606082.db2.gz CKEIPPHPLUXOGF-MWLCHTKSSA-N 1 0 250.317 2.318 10 0 CEAERO C[C@H]1CCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)[C@@H](C)C1 ZINC000104200162 185928324 /nfs/dbraw/zinc/92/83/24/185928324.db2.gz UCNONNUFDAFUGH-NHCYSSNCSA-N 1 0 278.318 2.175 10 0 CEAERO CC[NH2+][C@H](Cc1ncnn1CC)c1cc(F)ccc1F ZINC000088612278 179639246 /nfs/dbraw/zinc/63/92/46/179639246.db2.gz FYOVPAWCEKSSPY-CYBMUJFWSA-N 1 0 280.322 2.470 10 0 CEAERO CCn1ncnc1C[C@H]([NH2+]C)C1(c2ccccc2)CC1 ZINC000088612115 179639422 /nfs/dbraw/zinc/63/94/22/179639422.db2.gz ZVGUCZJWGUWLGA-AWEZNQCLSA-N 1 0 270.380 2.160 10 0 CEAERO CCCn1ncnc1C[C@](C)(CCC)C[NH2+]CCOC ZINC000088621261 179641408 /nfs/dbraw/zinc/64/14/08/179641408.db2.gz CSLYYBQPHOKVKO-HNNXBMFYSA-N 1 0 282.432 2.273 10 0 CEAERO CCCn1ncnc1CCC[C@H]([NH2+]CC)C1CC1 ZINC000088624192 179641736 /nfs/dbraw/zinc/64/17/36/179641736.db2.gz YOTHCPIYYJIYEB-ZDUSSCGKSA-N 1 0 250.390 2.399 10 0 CEAERO CC[C@H](C)[C@H]1CN(Cc2ncnn2CC)[C@H](C(C)C)C[NH2+]1 ZINC000088625515 179642482 /nfs/dbraw/zinc/64/24/82/179642482.db2.gz ZRVKZVSIDKUSMG-ZNMIVQPWSA-N 1 0 293.459 2.143 10 0 CEAERO CC(C)[C@@H]1CN(Cc2ncnn2C(C)C)[C@H](C2CC2)C[NH2+]1 ZINC000088625193 179642690 /nfs/dbraw/zinc/64/26/90/179642690.db2.gz GZFRHXDCWJORLP-GJZGRUSLSA-N 1 0 291.443 2.067 10 0 CEAERO CCn1ncnc1CN1C[C@@H](CC(C)C)[NH2+]C[C@@H]1C(C)C ZINC000088625471 179642710 /nfs/dbraw/zinc/64/27/10/179642710.db2.gz BSITTYVAHJPTHA-HUUCEWRRSA-N 1 0 293.459 2.143 10 0 CEAERO CC[C@@H](C)[C@H]1CN(Cc2ncnn2CC(C)C)CCC[NH2+]1 ZINC000088625819 179642910 /nfs/dbraw/zinc/64/29/10/179642910.db2.gz DMLNOSRKJAPZFE-HUUCEWRRSA-N 1 0 293.459 2.144 10 0 CEAERO CC(C)[NH2+]CCCS(=O)(=O)N[C@@H]1CCCCC[C@H]1C ZINC000088516420 179616995 /nfs/dbraw/zinc/61/69/95/179616995.db2.gz BYYFIGMVKRWYNM-ZIAGYGMSSA-N 1 0 290.473 2.263 10 0 CEAERO CCc1nc(CC)n(-c2cc(C[NH3+])nc3ccccc32)n1 ZINC000088743841 179662841 /nfs/dbraw/zinc/66/28/41/179662841.db2.gz CTZJVBVGFIMAMI-UHFFFAOYSA-N 1 0 281.363 2.399 10 0 CEAERO CC[NH2+]Cc1ccc(F)c(S(=O)(=O)N[C@@H](C)CC)c1 ZINC000088978323 179689326 /nfs/dbraw/zinc/68/93/26/179689326.db2.gz RLAVNBOUWXUICQ-JTQLQIEISA-N 1 0 288.388 2.012 10 0 CEAERO CCC[NH2+]CCS(=O)(=O)N1CCC(C(C)(C)C)CC1 ZINC000089021524 179691731 /nfs/dbraw/zinc/69/17/31/179691731.db2.gz KYLHIOWFVPOTKL-UHFFFAOYSA-N 1 0 290.473 2.074 10 0 CEAERO c1ccc(-c2nnc(CCC[NH2+]C3CC3)s2)nc1 ZINC000088812578 179677419 /nfs/dbraw/zinc/67/74/19/179677419.db2.gz RJXRDHIKNPFSKR-UHFFFAOYSA-N 1 0 260.366 2.285 10 0 CEAERO CCn1c2ccncc2nc1C1(CC)CC[NH2+]CC1 ZINC000088864842 179685061 /nfs/dbraw/zinc/68/50/61/179685061.db2.gz UXRFYUYYWJPIQH-UHFFFAOYSA-N 1 0 258.369 2.482 10 0 CEAERO CCCn1cccc1C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000089107032 179703250 /nfs/dbraw/zinc/70/32/50/179703250.db2.gz UVRHBYLKVZIBIP-STQMWFEESA-N 1 0 263.385 2.145 10 0 CEAERO CN(C(=O)Nc1ccc(F)cc1)[C@H]1CCC[C@H]1C[NH3+] ZINC000089111290 179705773 /nfs/dbraw/zinc/70/57/73/179705773.db2.gz MGKQJRKLGBHIMQ-GWCFXTLKSA-N 1 0 265.332 2.417 10 0 CEAERO CN(c1ncnc2sccc21)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089112671 179706710 /nfs/dbraw/zinc/70/67/10/179706710.db2.gz WPLBBGMQMKOFII-KOLCDFICSA-N 1 0 262.382 2.255 10 0 CEAERO CN(C(=O)NC1CCCCC1)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089132081 179713371 /nfs/dbraw/zinc/71/33/71/179713371.db2.gz CHFMSNGACKSKQC-TZMCWYRMSA-N 1 0 267.417 2.478 10 0 CEAERO CN(c1ccc(Cl)nn1)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089133470 179714418 /nfs/dbraw/zinc/71/44/18/179714418.db2.gz QVJRPPREHGJKLI-ZJUUUORDSA-N 1 0 254.765 2.084 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@H]1Nc1ccccc1-n1ccnn1 ZINC000089141362 179720083 /nfs/dbraw/zinc/72/00/83/179720083.db2.gz MUCHUWKDZPGVJC-CHWSQXEVSA-N 1 0 271.368 2.197 10 0 CEAERO NC(=O)c1ccc(Cl)c(N[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000089141533 179720130 /nfs/dbraw/zinc/72/01/30/179720130.db2.gz MRQWTTQXDTZKOT-JQWIXIFHSA-N 1 0 281.787 2.368 10 0 CEAERO Cc1c(N[C@H]2CCCC[C@H]2C[NH3+])cccc1C(N)=O ZINC000089142404 179720766 /nfs/dbraw/zinc/72/07/66/179720766.db2.gz XGAWMZPATYJGSC-FZMZJTMJSA-N 1 0 261.369 2.023 10 0 CEAERO CCN(C(=O)c1cccc(N(C)C)c1)[C@H]1CCC[C@H]1C[NH3+] ZINC000089113767 179708686 /nfs/dbraw/zinc/70/86/86/179708686.db2.gz DBMLVMQLCPZTAF-HOCLYGCPSA-N 1 0 289.423 2.342 10 0 CEAERO CC[C@H](C)N(C)c1nc2sccn2c1CC[NH3+] ZINC000104272288 185950919 /nfs/dbraw/zinc/95/09/19/185950919.db2.gz UUJOVZOUTAPUGV-VIFPVBQESA-N 1 0 252.387 2.132 10 0 CEAERO CCN(C(=O)c1cccn1CC)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089114966 179709065 /nfs/dbraw/zinc/70/90/65/179709065.db2.gz NDYDKLDBBWGCOX-QWHCGFSZSA-N 1 0 263.385 2.098 10 0 CEAERO CCN(c1ccc(Cl)nn1)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089116848 179711296 /nfs/dbraw/zinc/71/12/96/179711296.db2.gz RVQTWZGHUZOJHG-ZJUUUORDSA-N 1 0 254.765 2.084 10 0 CEAERO CN(Cc1ccccn1)c1ccc(CC[NH3+])cc1F ZINC000104276038 185952076 /nfs/dbraw/zinc/95/20/76/185952076.db2.gz NWQXINKDXMQADG-UHFFFAOYSA-N 1 0 259.328 2.358 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1Nc1ccc(-c2nnco2)cc1 ZINC000089147931 179724275 /nfs/dbraw/zinc/72/42/75/179724275.db2.gz CBBMTWHBWXWAIV-AAEUAGOBSA-N 1 0 258.325 2.276 10 0 CEAERO CCn1nc(C)cc1CN1CCCC[C@@H]1[C@@H](C)[NH2+]C ZINC000089180662 179744715 /nfs/dbraw/zinc/74/47/15/179744715.db2.gz ZWDPZICQNVFVML-UKRRQHHQSA-N 1 0 264.417 2.174 10 0 CEAERO CCn1nc(C)cc1CN(C)c1ccc(C(N)=[NH2+])cc1 ZINC000089185524 179746960 /nfs/dbraw/zinc/74/69/60/179746960.db2.gz MEQOJTYZTFDGRC-UHFFFAOYSA-N 1 0 271.368 2.132 10 0 CEAERO CC[NH2+]CCc1c(C)nn(Cc2csc(C)n2)c1C ZINC000089256764 179761342 /nfs/dbraw/zinc/76/13/42/179761342.db2.gz CUEFWUUBXPMPPF-UHFFFAOYSA-N 1 0 278.425 2.465 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1c1nc(COc2ccccc2)no1 ZINC000089431189 539714739 /nfs/dbraw/zinc/71/47/39/539714739.db2.gz IEHXPNCSERPEIY-YPMHNXCESA-N 1 0 273.336 2.491 10 0 CEAERO CC[NH2+][C@H](Cc1cc(C)nn1CC)Cc1ccccn1 ZINC000089193261 179749991 /nfs/dbraw/zinc/74/99/91/179749991.db2.gz VBEGENSNTIKNPA-HNNXBMFYSA-N 1 0 272.396 2.370 10 0 CEAERO CC[NH2+][C@@H](Cc1cc(CC)nn1C)Cc1ccccn1 ZINC000089193257 179750013 /nfs/dbraw/zinc/75/00/13/179750013.db2.gz GXAMUCKCEYYGHI-OAHLLOKOSA-N 1 0 272.396 2.141 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1cc(F)cc(F)c1 ZINC000089449711 539715946 /nfs/dbraw/zinc/71/59/46/539715946.db2.gz RZKYHNLRBQAFEG-QPUJVOFHSA-N 1 0 254.280 2.278 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000089453744 539716693 /nfs/dbraw/zinc/71/66/93/539716693.db2.gz BCAAQYIMJQGVPA-GXTWGEPZSA-N 1 0 284.363 2.390 10 0 CEAERO CN(CCOc1ccccc1F)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089455705 539717317 /nfs/dbraw/zinc/71/73/17/539717317.db2.gz IDQUMSFHHZBVGE-QWHCGFSZSA-N 1 0 294.370 2.038 10 0 CEAERO Cc1cc(CC2(C[NH2+]C(C)(C)C)CCOCC2)n(C)n1 ZINC000089206437 179753990 /nfs/dbraw/zinc/75/39/90/179753990.db2.gz LHZBAINXLYYNGN-UHFFFAOYSA-N 1 0 279.428 2.456 10 0 CEAERO CC1CCC(CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089462317 539718555 /nfs/dbraw/zinc/71/85/55/539718555.db2.gz UUYHDBUTUCVZRE-CLRIEMFWSA-N 1 0 252.402 2.304 10 0 CEAERO COc1ccc(N(C)C(=O)[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089461199 539718829 /nfs/dbraw/zinc/71/88/29/539718829.db2.gz XMRXCSHBFJUVPM-RISCZKNCSA-N 1 0 262.353 2.033 10 0 CEAERO CCc1nn(CC)c(C[C@@H]([NH3+])[C@@H]2CCCO2)c1Cl ZINC000089360901 179772877 /nfs/dbraw/zinc/77/28/77/179772877.db2.gz LKNCAZPLJIGOJE-SKDRFNHKSA-N 1 0 271.792 2.168 10 0 CEAERO Cc1nc(CN2CC[NH2+]C[C@H]2C(C)(C)C)cs1 ZINC000089270230 179763029 /nfs/dbraw/zinc/76/30/29/179763029.db2.gz MTFJOBLUAWTKJS-LBPRGKRZSA-N 1 0 253.415 2.271 10 0 CEAERO CCn1nc(C)c(Cl)c1C[C@H](CCCOC)[NH2+]C ZINC000089297298 179766835 /nfs/dbraw/zinc/76/68/35/179766835.db2.gz VZXGYBOHICKLMD-NSHDSACASA-N 1 0 273.808 2.422 10 0 CEAERO CCN(Cc1ccco1)C(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000089391640 179778745 /nfs/dbraw/zinc/77/87/45/179778745.db2.gz DKYFKHQOZUVJTI-JSGCOSHPSA-N 1 0 264.369 2.393 10 0 CEAERO CN(CCc1ccccc1)C(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089392085 179778844 /nfs/dbraw/zinc/77/88/44/179778844.db2.gz CFTMMQTWLNOMCW-JKSUJKDBSA-N 1 0 274.408 2.453 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1C(=O)NCc1ccc(F)c(F)c1 ZINC000089396706 179780135 /nfs/dbraw/zinc/78/01/35/179780135.db2.gz KSJTVYMPMWYOKY-RYUDHWBXSA-N 1 0 282.334 2.346 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C[NH3+])c1nccs1 ZINC000089400646 179781301 /nfs/dbraw/zinc/78/13/01/179781301.db2.gz FTGQVWXPMBYIGV-HBNTYKKESA-N 1 0 267.398 2.085 10 0 CEAERO CC(=O)Nc1ccc(F)c(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089451556 179792495 /nfs/dbraw/zinc/79/24/95/179792495.db2.gz ARILNUCZLCKKPS-PWSUYJOCSA-N 1 0 293.342 2.098 10 0 CEAERO COc1cc(C)c(NC(=O)[C@H]2CCC[C@H]2C[NH3+])cc1OC ZINC000089452884 179792770 /nfs/dbraw/zinc/79/27/70/179792770.db2.gz KADOJPZDAJQQCP-RYUDHWBXSA-N 1 0 292.379 2.326 10 0 CEAERO CCCCCNC(=O)[C@H](C)OC[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089536044 179812207 /nfs/dbraw/zinc/81/22/07/179812207.db2.gz UBPULUSSOPTFLN-ZNMIVQPWSA-N 1 0 284.444 2.463 10 0 CEAERO CCCn1nccc1C1(O)CCC([NH2+]CC)CC1 ZINC000089539655 179813985 /nfs/dbraw/zinc/81/39/85/179813985.db2.gz GRKPWAJWTLINAT-UHFFFAOYSA-N 1 0 251.374 2.033 10 0 CEAERO COCc1ccc(C[NH2+]C[C@H]2CCC[C@H]2CO)cc1 ZINC000089492617 179803092 /nfs/dbraw/zinc/80/30/92/179803092.db2.gz YBADMJVMHNNDIR-CVEARBPZSA-N 1 0 263.381 2.331 10 0 CEAERO COc1cccc([C@H]2C[NH2+]C[C@@H]2NC(=O)OC(C)(C)C)c1 ZINC000068575220 362944463 /nfs/dbraw/zinc/94/44/63/362944463.db2.gz HTRFINCTPOSBHF-KGLIPLIRSA-N 1 0 292.379 2.275 10 0 CEAERO COc1ccc(C)cc1[C@H](C)NC(=O)C[C@H]1CC[NH2+]C1 ZINC000089742004 179857441 /nfs/dbraw/zinc/85/74/41/179857441.db2.gz GHPDQBWXLHQAOG-QWHCGFSZSA-N 1 0 276.380 2.180 10 0 CEAERO CC[NH2+]CCn1nnnc1SC1C[C@@H](C)C[C@H](C)C1 ZINC000089686102 179846102 /nfs/dbraw/zinc/84/61/02/179846102.db2.gz ALGNQDODLZMTII-QWRGUYRKSA-N 1 0 283.445 2.199 10 0 CEAERO CCc1ccc([C@H](C)NC(=O)C[C@@H]2CC[NH2+]C2)cc1 ZINC000089741976 539730366 /nfs/dbraw/zinc/73/03/66/539730366.db2.gz VNZITFXSWJSNQI-JSGCOSHPSA-N 1 0 260.381 2.426 10 0 CEAERO CN(CC1CCCC1)C(=O)[C@@H]1CCC[C@@H](C[NH3+])C1 ZINC000104351092 185979618 /nfs/dbraw/zinc/97/96/18/185979618.db2.gz HNMFDLYYFWNOHM-ZIAGYGMSSA-N 1 0 252.402 2.400 10 0 CEAERO CN([C@H](c1ccccc1)c1ccc(O)cc1)C1C[NH2+]C1 ZINC000090289561 179949867 /nfs/dbraw/zinc/94/98/67/179949867.db2.gz ZIPXRJWHOJWJGM-QGZVFWFLSA-N 1 0 268.360 2.385 10 0 CEAERO CN(CCOc1ccc(C(C)(C)C)cc1)C1C[NH2+]C1 ZINC000090290408 179950575 /nfs/dbraw/zinc/95/05/75/179950575.db2.gz LBOKMNLRIVMESJ-UHFFFAOYSA-N 1 0 262.397 2.267 10 0 CEAERO CCCN(CC(=O)N(C1=CCCCC1)C1CC1)C1C[NH2+]C1 ZINC000090293682 179951893 /nfs/dbraw/zinc/95/18/93/179951893.db2.gz LCRUKHPKIHCXQO-UHFFFAOYSA-N 1 0 291.439 2.119 10 0 CEAERO CCCN(C(=O)c1ccc(Cl)cc1)C1C[NH2+]C1 ZINC000090293145 179952021 /nfs/dbraw/zinc/95/20/21/179952021.db2.gz MCQQCOLMRIWRLZ-UHFFFAOYSA-N 1 0 252.745 2.164 10 0 CEAERO CC(C)C[NH2+]Cc1cncn1CC[C@H]1CCCO1 ZINC000090241718 179939110 /nfs/dbraw/zinc/93/91/10/179939110.db2.gz VEOARGSYPJZASL-CQSZACIVSA-N 1 0 251.374 2.198 10 0 CEAERO CCN(c1ccc(F)cc1)[C@](C)(C[NH3+])CC(OC)OC ZINC000090265975 179942217 /nfs/dbraw/zinc/94/22/17/179942217.db2.gz VRJDSVMXDUVKES-HNNXBMFYSA-N 1 0 284.375 2.378 10 0 CEAERO COC(OC)[C@](C)(C[NH3+])N(C)Cc1ccc(Cl)cc1 ZINC000090266422 179942455 /nfs/dbraw/zinc/94/24/55/179942455.db2.gz MIWBXWWLRQEVIO-AWEZNQCLSA-N 1 0 286.803 2.108 10 0 CEAERO C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)CCC1CCCCC1 ZINC000090325737 179959118 /nfs/dbraw/zinc/95/91/18/179959118.db2.gz VWDYFJCEHRLMPX-YUELXQCFSA-N 1 0 264.413 2.413 10 0 CEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C(=O)c1cccc(F)c1F ZINC000090330756 179962192 /nfs/dbraw/zinc/96/21/92/179962192.db2.gz NBGMJVKEGYQSFZ-SUZMYJTESA-N 1 0 280.318 2.035 10 0 CEAERO CCc1ccsc1C(=O)N1C[C@@H]2C[NH2+]C[C@H]2[C@@H]1CC ZINC000090330464 179962365 /nfs/dbraw/zinc/96/23/65/179962365.db2.gz XJNVWAHXEMOMHV-XQQFMLRXSA-N 1 0 278.421 2.381 10 0 CEAERO COc1ccccc1NC(=O)CSCC[C@@H](C)[NH3+] ZINC000090346023 179969979 /nfs/dbraw/zinc/96/99/79/179969979.db2.gz WPVGYCMAWGUGNF-SNVBAGLBSA-N 1 0 268.382 2.104 10 0 CEAERO CSc1ccccc1NC(=O)CSCCC[NH3+] ZINC000090344812 179970098 /nfs/dbraw/zinc/97/00/98/179970098.db2.gz ZNNQZGGTYLVVAC-UHFFFAOYSA-N 1 0 270.423 2.429 10 0 CEAERO CC[C@H]1CCCCN1C(=O)CSCC[C@H](C)[NH3+] ZINC000090346327 179970528 /nfs/dbraw/zinc/97/05/28/179970528.db2.gz CHKJHTKHFFBZAG-RYUDHWBXSA-N 1 0 258.431 2.248 10 0 CEAERO CC(=O)c1ccccc1NC(=O)CSC[C@H](C)C[NH3+] ZINC000090349728 179971114 /nfs/dbraw/zinc/97/11/14/179971114.db2.gz YLDKFBKEBMBGFR-SNVBAGLBSA-N 1 0 280.393 2.156 10 0 CEAERO CN1C[C@H](C[NH2+]Cc2c(F)ccc(F)c2Cl)CC1=O ZINC000623571531 350054039 /nfs/dbraw/zinc/05/40/39/350054039.db2.gz ZSBSGPORMFDRAI-QMMMGPOBSA-N 1 0 288.725 2.186 10 0 CEAERO CC[NH2+][C@H]1COC[C@H]1C(=O)Nc1c(C)cc(C)cc1C ZINC000090487023 179991361 /nfs/dbraw/zinc/99/13/61/179991361.db2.gz QGTYJMUMTXTGIQ-KGLIPLIRSA-N 1 0 276.380 2.175 10 0 CEAERO CC[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc(Cl)cc1C ZINC000090488245 179991523 /nfs/dbraw/zinc/99/15/23/179991523.db2.gz UFFZWYUAOLJQMT-YPMHNXCESA-N 1 0 282.771 2.211 10 0 CEAERO O[C@H]1COCC[C@H]1[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000623765124 350106535 /nfs/dbraw/zinc/10/65/35/350106535.db2.gz OBJKJOQXOZQQFR-OCCSQVGLSA-N 1 0 290.388 2.050 10 0 CEAERO CC(C)(C)c1ccc(C[NH2+][C@H]2CCOC[C@@H]2O)s1 ZINC000623766920 350107450 /nfs/dbraw/zinc/10/74/50/350107450.db2.gz NQXMYCFAKVNMPM-RYUDHWBXSA-N 1 0 269.410 2.285 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccc(C)cc1C ZINC000090538842 180000221 /nfs/dbraw/zinc/00/02/21/180000221.db2.gz UQZGVQISUXNWTR-ZFWWWQNUSA-N 1 0 276.380 2.257 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1c(C)cccc1C ZINC000090539120 180000489 /nfs/dbraw/zinc/00/04/89/180000489.db2.gz UHXHTGFBLZWVCT-KBPBESRZSA-N 1 0 276.380 2.257 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N[C@@H](C)c1cc(C)oc1C ZINC000090544224 180000837 /nfs/dbraw/zinc/00/08/37/180000837.db2.gz SCPCSMOJONKCOZ-TUKIKUTGSA-N 1 0 294.395 2.088 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)N(CC)c1ccc(F)cc1 ZINC000090544477 180000995 /nfs/dbraw/zinc/00/09/95/180000995.db2.gz AHYNNZLPEPRNBJ-HUUCEWRRSA-N 1 0 294.370 2.193 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1CN(C)Cc1ccoc1C ZINC000090566360 180006107 /nfs/dbraw/zinc/00/61/07/180006107.db2.gz FAAPKMQFOUCGIE-LSDHHAIUSA-N 1 0 266.385 2.034 10 0 CEAERO Cc1ccc2c(c1)nc([C@]1(C)COC[C@H]1[NH3+])n2C1CC1 ZINC000090571706 180007642 /nfs/dbraw/zinc/00/76/42/180007642.db2.gz XAYTYTVQBKOAJM-GDBMZVCRSA-N 1 0 271.364 2.295 10 0 CEAERO CCCOc1cc(C)ccc1NC(=O)[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090589973 180010446 /nfs/dbraw/zinc/01/04/46/180010446.db2.gz RUXXEIKUWRVWDC-HOCLYGCPSA-N 1 0 292.379 2.086 10 0 CEAERO CN(Cc1ccccc1Cl)C[C@]1(C)COC[C@@H]1[NH3+] ZINC000090606673 180011582 /nfs/dbraw/zinc/01/15/82/180011582.db2.gz XWRFRKFJAUDOPA-UONOGXRCSA-N 1 0 268.788 2.136 10 0 CEAERO C[C@@H](O[C@H](C)C(F)(F)F)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000090671939 180020824 /nfs/dbraw/zinc/02/08/24/180020824.db2.gz BVJJWHGKIKEEDK-RKDXNWHRSA-N 1 0 290.285 2.440 10 0 CEAERO C[C@@H](OCCC[C@@](C)(CO)[NH2+]C1CC1)C(F)(F)F ZINC000090675967 180022233 /nfs/dbraw/zinc/02/22/33/180022233.db2.gz BWOBTXCWPOLJDJ-KOLCDFICSA-N 1 0 269.307 2.237 10 0 CEAERO C[C@H](C[C@](C)(CO)[NH2+]C1CC1)O[C@@H](C)C(F)(F)F ZINC000090676053 180022305 /nfs/dbraw/zinc/02/23/05/180022305.db2.gz LHBOJVIGOAKATB-WCABBAIRSA-N 1 0 269.307 2.235 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCCO[C@H](C)C(F)(F)F ZINC000090676045 180022660 /nfs/dbraw/zinc/02/26/60/180022660.db2.gz SPXZHMVFPGFAFQ-NXEZZACHSA-N 1 0 257.296 2.095 10 0 CEAERO Cc1cnc(N[C@@H](CC(C)C)C[NH+](C)C)c(N)c1 ZINC000090691014 180024898 /nfs/dbraw/zinc/02/48/98/180024898.db2.gz CMARKWLLWMWEEI-LBPRGKRZSA-N 1 0 250.390 2.360 10 0 CEAERO C[NH+](C)C[C@H]1CSCCCN1C(=O)C1CCCC1 ZINC000090699765 180027783 /nfs/dbraw/zinc/02/77/83/180027783.db2.gz QVSFVRFXVATAIX-ZDUSSCGKSA-N 1 0 270.442 2.072 10 0 CEAERO CC(C)c1nn(C)cc1CN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000090720756 180031501 /nfs/dbraw/zinc/03/15/01/180031501.db2.gz AZWKGSWQQPQMPU-JSGCOSHPSA-N 1 0 264.417 2.116 10 0 CEAERO COCCCSCCOc1ccccc1C[NH3+] ZINC000104444281 186004412 /nfs/dbraw/zinc/00/44/12/186004412.db2.gz PXPZKRJKIDFJCK-UHFFFAOYSA-N 1 0 255.383 2.294 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CN[C@H](C)c1cnccn1 ZINC000090773315 180038392 /nfs/dbraw/zinc/03/83/92/180038392.db2.gz JCSXJZBYIPYNKV-ZIAGYGMSSA-N 1 0 262.401 2.248 10 0 CEAERO Cn1c2cc(F)ccc2nc1-c1csc(C[NH3+])n1 ZINC000090932854 180066790 /nfs/dbraw/zinc/06/67/90/180066790.db2.gz AXHARYHKFDODDT-UHFFFAOYSA-N 1 0 262.313 2.295 10 0 CEAERO CCOc1cc(N(C)c2ccc(C[NH3+])cc2)nc(C)n1 ZINC000090787768 180041507 /nfs/dbraw/zinc/04/15/07/180041507.db2.gz SOVNVHPOAXYFQO-UHFFFAOYSA-N 1 0 272.352 2.410 10 0 CEAERO CCOc1cc(Nc2cccc(C[NH3+])c2)nc(C)n1 ZINC000090788384 180041517 /nfs/dbraw/zinc/04/15/17/180041517.db2.gz UAMLJAHWNMRIMR-UHFFFAOYSA-N 1 0 258.325 2.386 10 0 CEAERO CCOc1ncnc(N[C@@H]2CCCCC[C@@H]2[NH3+])c1C ZINC000090789620 180041887 /nfs/dbraw/zinc/04/18/87/180041887.db2.gz CEUJJDDQFGQZFB-NWDGAFQWSA-N 1 0 264.373 2.256 10 0 CEAERO CCOc1ncnc(N[C@H](C[NH3+])Cc2ccccc2)c1C ZINC000090790141 180042056 /nfs/dbraw/zinc/04/20/56/180042056.db2.gz JPBAQTMCEIYVGF-AWEZNQCLSA-N 1 0 286.379 2.166 10 0 CEAERO CCC[NH+]1CCC(Nc2ncnc(OC)c2C)CC1 ZINC000090791114 180042480 /nfs/dbraw/zinc/04/24/80/180042480.db2.gz IYELZDTUTKIELS-UHFFFAOYSA-N 1 0 264.373 2.080 10 0 CEAERO CCOc1cc(N[C@H](C)C[NH+]2CCCC2)nc(C)n1 ZINC000090792113 180042605 /nfs/dbraw/zinc/04/26/05/180042605.db2.gz MTXRUDKSUPCOFP-LLVKDONJSA-N 1 0 264.373 2.080 10 0 CEAERO COc1cccc(OC)c1O[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000090839366 180043358 /nfs/dbraw/zinc/04/33/58/180043358.db2.gz MROVKAWQRMEXLO-NWDGAFQWSA-N 1 0 251.326 2.208 10 0 CEAERO C[C@H](CCc1ccccc1)[NH2+]C[C@@H](C)[S@](C)=O ZINC000090841648 180043439 /nfs/dbraw/zinc/04/34/39/180043439.db2.gz OHIKMUIIGMMOPX-PBFPGSCMSA-N 1 0 253.411 2.364 10 0 CEAERO C[C@H](C[NH2+][C@H]1CCCN(Cc2ccccc2)C1)[S@](C)=O ZINC000090842226 180044747 /nfs/dbraw/zinc/04/47/47/180044747.db2.gz OSEPXXMSOKVTSL-PTSWNOGYSA-N 1 0 294.464 2.008 10 0 CEAERO CC[C@]1(C)[C@H]([NH2+]C)C[C@@H]1Oc1c(C)nn(C)c1C ZINC000090865753 180047646 /nfs/dbraw/zinc/04/76/46/180047646.db2.gz VHKUBHSBEXLGTF-MBNYWOFBSA-N 1 0 251.374 2.192 10 0 CEAERO CC(C)OC[C@@H](O)CSc1cccc(C[NH3+])c1 ZINC000090870574 180049262 /nfs/dbraw/zinc/04/92/62/180049262.db2.gz KSQHTGSMVYQIIA-GFCCVEGCSA-N 1 0 255.383 2.023 10 0 CEAERO CC[NH2+]Cc1cccc(S[C@@H]2CCN(C)C2=O)c1 ZINC000090871043 180049367 /nfs/dbraw/zinc/04/93/67/180049367.db2.gz NUQIPRQNGVFFFN-CYBMUJFWSA-N 1 0 264.394 2.119 10 0 CEAERO CCC[NH2+]Cc1cccc(SCC(=O)NCCOC)c1 ZINC000090871720 180049763 /nfs/dbraw/zinc/04/97/63/180049763.db2.gz CSNYRHUBEGWZEX-UHFFFAOYSA-N 1 0 296.436 2.041 10 0 CEAERO CNC(=O)CCSc1cccc(C[NH2+]C(C)C)c1 ZINC000090871953 180049937 /nfs/dbraw/zinc/04/99/37/180049937.db2.gz CPGKWHNMJLGENZ-UHFFFAOYSA-N 1 0 266.410 2.413 10 0 CEAERO C[C@@H]1CCC[C@@H](C[NH3+])N1C[C@@H]1Cc2ccccc2O1 ZINC000090875316 180050649 /nfs/dbraw/zinc/05/06/49/180050649.db2.gz XHHKDTFSRNWPGP-SNPRPXQTSA-N 1 0 260.381 2.192 10 0 CEAERO CC(=O)C1CC[NH+](C[C@H]2Cc3ccccc3O2)CC1 ZINC000090874991 180051199 /nfs/dbraw/zinc/05/11/99/180051199.db2.gz NUMDDDFQYAJWOR-OAHLLOKOSA-N 1 0 259.349 2.291 10 0 CEAERO CC(C)[NH2+]Cc1ccnn1C[C@@H]1Cc2ccccc2O1 ZINC000090877782 180051785 /nfs/dbraw/zinc/05/17/85/180051785.db2.gz GIVBVFOMEUSTKW-HNNXBMFYSA-N 1 0 271.364 2.385 10 0 CEAERO Cc1nn(C[C@@H]2Cc3ccccc3O2)c(C)c1C[C@@H](C)[NH3+] ZINC000090877418 180052183 /nfs/dbraw/zinc/05/21/83/180052183.db2.gz MVFHUFFFIPJBTL-ABAIWWIYSA-N 1 0 285.391 2.393 10 0 CEAERO CC(C)(C)[C@H]1C[NH2+]CCN1C[C@@H]1Cc2ccccc2O1 ZINC000090878255 180052282 /nfs/dbraw/zinc/05/22/82/180052282.db2.gz ANXCTFNDSGGEOT-GOEBONIOSA-N 1 0 274.408 2.310 10 0 CEAERO C[C@H](Cn1ccnc1)[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892418 180053485 /nfs/dbraw/zinc/05/34/85/180053485.db2.gz UOUJEXLGVZGXBW-RISCZKNCSA-N 1 0 275.327 2.004 10 0 CEAERO Fc1ccc2c(c1)C[C@H](C[NH2+]Cc1ccccn1)O2 ZINC000090892000 180054060 /nfs/dbraw/zinc/05/40/60/180054060.db2.gz ZADUYRAWUJZMBZ-CQSZACIVSA-N 1 0 258.296 2.314 10 0 CEAERO COC[C@@H](C)C[NH2+]C[C@H]1Cc2cc(F)ccc2O1 ZINC000090892619 180054912 /nfs/dbraw/zinc/05/49/12/180054912.db2.gz RCALIXOQCAEKLC-GXFFZTMASA-N 1 0 253.317 2.001 10 0 CEAERO Fc1ccc2c(c1)C[C@H](C[NH2+]CC1CCOCC1)O2 ZINC000090892801 180055039 /nfs/dbraw/zinc/05/50/39/180055039.db2.gz YUYFCUAWBJZRGW-CQSZACIVSA-N 1 0 265.328 2.145 10 0 CEAERO Fc1ccc2c(c1)C[C@@H](COCC1CC[NH2+]CC1)O2 ZINC000090893676 180055507 /nfs/dbraw/zinc/05/55/07/180055507.db2.gz ZCKRRGRIQFMPLS-AWEZNQCLSA-N 1 0 265.328 2.145 10 0 CEAERO CCC[C@H]1CN(C[C@@H]2Cc3cc(F)ccc3O2)CC[NH2+]1 ZINC000090896098 180055691 /nfs/dbraw/zinc/05/56/91/180055691.db2.gz YBZUKBIPHVEBGV-GJZGRUSLSA-N 1 0 278.371 2.203 10 0 CEAERO COCC[NH2+]C[C@@H](C)C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090895127 180055775 /nfs/dbraw/zinc/05/57/75/180055775.db2.gz GTJBPMJCOWTTJT-SMDDNHRTSA-N 1 0 267.344 2.391 10 0 CEAERO CCN1CCC[C@H]1C[NH2+]C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090897231 180056803 /nfs/dbraw/zinc/05/68/03/180056803.db2.gz MJESRGFIBNZFLF-HOTGVXAUSA-N 1 0 274.408 2.372 10 0 CEAERO CCC(CC)(CO)[NH2+]C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090897936 180057037 /nfs/dbraw/zinc/05/70/37/180057037.db2.gz UVQKEXNBJHXDFR-AWEZNQCLSA-N 1 0 263.381 2.439 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[NH2+]CCOCC(F)(F)F)O2 ZINC000090898054 180057320 /nfs/dbraw/zinc/05/73/20/180057320.db2.gz POBACDIECMAEHD-GFCCVEGCSA-N 1 0 289.297 2.467 10 0 CEAERO CC(C)Oc1ccc([C@H](C[NH3+])N2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090905941 180061072 /nfs/dbraw/zinc/06/10/72/180061072.db2.gz SYVMQEGLQWESKM-BBWFWOEESA-N 1 0 290.407 2.337 10 0 CEAERO [NH3+]Cc1c2ccccc2oc1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000090907934 180061581 /nfs/dbraw/zinc/06/15/81/180061581.db2.gz DIRJBWBOQQUQPQ-TXEJJXNPSA-N 1 0 272.348 2.255 10 0 CEAERO CN(Cc1csc(CC[NH3+])n1)c1ccc(F)cc1 ZINC000090958448 180074508 /nfs/dbraw/zinc/07/45/08/180074508.db2.gz IBGMZRXJKWDOSE-UHFFFAOYSA-N 1 0 265.357 2.420 10 0 CEAERO [NH3+]CCc1nc(CN(CC(F)(F)F)C2CC2)cs1 ZINC000090958370 180074697 /nfs/dbraw/zinc/07/46/97/180074697.db2.gz GFFNGPCWUKSSAZ-UHFFFAOYSA-N 1 0 279.331 2.171 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+]CC(C)(C)N(C)C ZINC000090959112 180075225 /nfs/dbraw/zinc/07/52/25/180075225.db2.gz DUMFKLMDCNICHS-UHFFFAOYSA-N 1 0 269.414 2.136 10 0 CEAERO C[C@@H](CN1CCCCC1)[NH2+]Cc1sccc1N ZINC000090960103 180075363 /nfs/dbraw/zinc/07/53/63/180075363.db2.gz DLAKRPMLAIYGCX-NSHDSACASA-N 1 0 253.415 2.294 10 0 CEAERO Nc1ccsc1C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000090959069 180075502 /nfs/dbraw/zinc/07/55/02/180075502.db2.gz IDCQJAAVOCSSKT-UHFFFAOYSA-N 1 0 276.361 2.391 10 0 CEAERO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1sccc1N ZINC000090959864 180075587 /nfs/dbraw/zinc/07/55/87/180075587.db2.gz NDZGHYRBNLOTDN-NSHDSACASA-N 1 0 262.382 2.231 10 0 CEAERO O=C([C@H]1Cc2ccccc21)N1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000090983780 180080220 /nfs/dbraw/zinc/08/02/20/180080220.db2.gz HVMOROIZUAWLGK-DLBZAZTESA-N 1 0 284.403 2.317 10 0 CEAERO Cn1c2ccc([C@H]([NH3+])[C@H]3Cc4ccccc43)cc2oc1=O ZINC000090984276 180080255 /nfs/dbraw/zinc/08/02/55/180080255.db2.gz NODCCMGQIFGAEX-BBRMVZONSA-N 1 0 280.327 2.471 10 0 CEAERO CCc1cc(C[NH2+]C[C@H]2Cc3ccccc32)n(C)n1 ZINC000090992166 180081392 /nfs/dbraw/zinc/08/13/92/180081392.db2.gz BZXATLGQPFYDFA-CYBMUJFWSA-N 1 0 255.365 2.412 10 0 CEAERO COc1ccc([C@H](C[NH3+])[C@H](O)[C@@H]2Cc3ccccc32)cc1 ZINC000090991854 180081497 /nfs/dbraw/zinc/08/14/97/180081497.db2.gz WIRKEQCSMLNVSH-FGTMMUONSA-N 1 0 283.371 2.438 10 0 CEAERO CCN(CC)C(=O)Cn1cccc1C[NH2+]CC(C)C ZINC000091001906 180083324 /nfs/dbraw/zinc/08/33/24/180083324.db2.gz LWGMEXCBNPZCBU-UHFFFAOYSA-N 1 0 265.401 2.102 10 0 CEAERO COCC[NH2+]Cc1ccn(CCC(F)(F)F)c1 ZINC000091004559 180084051 /nfs/dbraw/zinc/08/40/51/180084051.db2.gz WXOQOPFAXXVHSM-UHFFFAOYSA-N 1 0 250.264 2.177 10 0 CEAERO CCc1cc(Cn2ccc(C[C@@H](C)[NH3+])c2)n(CC)n1 ZINC000091006063 180084715 /nfs/dbraw/zinc/08/47/15/180084715.db2.gz XXSLWWKPPRIHJK-GFCCVEGCSA-N 1 0 260.385 2.205 10 0 CEAERO C[C@H]([NH3+])Cc1ccn(Cc2nn(C)c3ccccc23)c1 ZINC000091005885 180084866 /nfs/dbraw/zinc/08/48/66/180084866.db2.gz JSQMBHVTNURCMB-LBPRGKRZSA-N 1 0 268.364 2.313 10 0 CEAERO CCCn1ccc(C[NH2+]CCCOCCOC)c1 ZINC000091009948 180086009 /nfs/dbraw/zinc/08/60/09/180086009.db2.gz QEPAKPMZPKUCHV-UHFFFAOYSA-N 1 0 254.374 2.041 10 0 CEAERO CC(C)(C)[NH2+]CC(=O)NCc1ccccc1Br ZINC000091015688 180086341 /nfs/dbraw/zinc/08/63/41/180086341.db2.gz ZOXYZGROAPAWPB-UHFFFAOYSA-N 1 0 299.212 2.453 10 0 CEAERO c1[nH]c2ncccc2c1C[NH2+]CCN1CCCCC1 ZINC000091017643 180086919 /nfs/dbraw/zinc/08/69/19/180086919.db2.gz BGROVKZEXQOJPF-UHFFFAOYSA-N 1 0 258.369 2.138 10 0 CEAERO c1cn(CCCC[NH2+]Cc2c[nH]c3ncccc23)cn1 ZINC000091017739 180087014 /nfs/dbraw/zinc/08/70/14/180087014.db2.gz OKXUIANWDSEOFU-UHFFFAOYSA-N 1 0 269.352 2.329 10 0 CEAERO CC[NH2+]Cc1cn(Cc2ccno2)c2ncccc12 ZINC000091020198 180087710 /nfs/dbraw/zinc/08/77/10/180087710.db2.gz WHEAYLHXWIYEDN-UHFFFAOYSA-N 1 0 256.309 2.182 10 0 CEAERO CCNC(=O)CCn1cc(C[NH2+]C(C)C)c2cccnc21 ZINC000091020507 180087948 /nfs/dbraw/zinc/08/79/48/180087948.db2.gz AFSYFFAPWGNMCI-UHFFFAOYSA-N 1 0 288.395 2.061 10 0 CEAERO CC(C)[NH2+]Cc1cn(CC(=O)OC(C)C)c2ncccc12 ZINC000091020646 180087957 /nfs/dbraw/zinc/08/79/57/180087957.db2.gz RWJWAFQEYGTJHD-UHFFFAOYSA-N 1 0 289.379 2.486 10 0 CEAERO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1c[nH]c2ncccc12 ZINC000091019563 180088041 /nfs/dbraw/zinc/08/80/41/180088041.db2.gz LUSGRWHVZLGFQK-FZMZJTMJSA-N 1 0 258.369 2.265 10 0 CEAERO CC[C@@H]([NH3+])Cc1cn(CCCOC)c2ncccc12 ZINC000091021868 180088910 /nfs/dbraw/zinc/08/89/10/180088910.db2.gz UAANBWYAJPNNTC-CYBMUJFWSA-N 1 0 261.369 2.353 10 0 CEAERO CCn1cccc1C[NH2+]CCCOC[C@@H]1CCCO1 ZINC000091023043 180088966 /nfs/dbraw/zinc/08/89/66/180088966.db2.gz MWAKHNLFGWSKPT-HNNXBMFYSA-N 1 0 266.385 2.183 10 0 CEAERO C[C@H](NC(=O)C[C@H]1CSCC[NH2+]1)c1cccs1 ZINC000091134407 180103101 /nfs/dbraw/zinc/10/31/01/180103101.db2.gz HEEKLVLWTYQTEV-UWVGGRQHSA-N 1 0 270.423 2.020 10 0 CEAERO Cc1nc(C)c([C@H](C)NC(=O)C[C@H]2CSCC[NH2+]2)s1 ZINC000091137830 180105995 /nfs/dbraw/zinc/10/59/95/180105995.db2.gz JHUBHAPYEJKZMT-ONGXEEELSA-N 1 0 299.465 2.032 10 0 CEAERO CC(C)NC(=O)C[C@H](C[NH3+])N(C)Cc1ccccc1Cl ZINC000091318364 180133870 /nfs/dbraw/zinc/13/38/70/180133870.db2.gz WXBXPNJRKIGDIP-CYBMUJFWSA-N 1 0 297.830 2.014 10 0 CEAERO CCN(CC)C(=O)C[C@H](CN)[N@H+](CC)C1CCCCC1 ZINC000091322579 180134843 /nfs/dbraw/zinc/13/48/43/180134843.db2.gz JWQNTYNVMDHUCS-OAHLLOKOSA-N 1 0 283.460 2.227 10 0 CEAERO CCc1c(C[NH2+]CCOC)cnn1-c1ccccc1F ZINC000091335833 180136645 /nfs/dbraw/zinc/13/66/45/180136645.db2.gz GHLPQDKCHGKLJI-UHFFFAOYSA-N 1 0 277.343 2.310 10 0 CEAERO O=C(NCCc1ccccn1)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091359136 180140594 /nfs/dbraw/zinc/14/05/94/180140594.db2.gz BLFPYTILJXQMSA-BPUTZDHNSA-N 1 0 287.407 2.051 10 0 CEAERO O=C(NCCc1nccs1)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000091361222 180140971 /nfs/dbraw/zinc/14/09/71/180140971.db2.gz LWNPNNMRHOJCSH-AGIUHOORSA-N 1 0 293.436 2.113 10 0 CEAERO Cc1nn(C)c(C)c1NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091360558 180141037 /nfs/dbraw/zinc/14/10/37/180141037.db2.gz LRNLHFDQRQYLGX-IHRRRGAJSA-N 1 0 290.411 2.286 10 0 CEAERO C[NH+](C)CCCOc1cc(Br)ccn1 ZINC000091364412 180142431 /nfs/dbraw/zinc/14/24/31/180142431.db2.gz MGOIPGVPOKRAOF-UHFFFAOYSA-N 1 0 259.147 2.175 10 0 CEAERO C[C@H](CCO)SC[C@@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000091268862 180116866 /nfs/dbraw/zinc/11/68/66/180116866.db2.gz JOUBFLKCTPJGGX-DGCLKSJQSA-N 1 0 297.420 2.352 10 0 CEAERO Cc1nn(C)c(S[C@@H](C)CCO)c1C[NH2+]CC(C)C ZINC000091268213 180116972 /nfs/dbraw/zinc/11/69/72/180116972.db2.gz KIGJRTOLHUPNKV-NSHDSACASA-N 1 0 285.457 2.337 10 0 CEAERO CC(C)n1cncc1CN1[C@@H](C[NH3+])CCC[C@@H]1C ZINC000091273039 180117886 /nfs/dbraw/zinc/11/78/86/180117886.db2.gz VYANSWJWVVPNRK-QWHCGFSZSA-N 1 0 250.390 2.166 10 0 CEAERO [NH3+]C[C@H](c1cncn1C1CC1)N1CCc2sccc2C1 ZINC000091276166 180118927 /nfs/dbraw/zinc/11/89/27/180118927.db2.gz FZCXOKYJIVJUPS-CYBMUJFWSA-N 1 0 288.420 2.338 10 0 CEAERO CCCn1cncc1-c1ncc2c(n1)CCC[C@@H]2[NH3+] ZINC000091278088 180121089 /nfs/dbraw/zinc/12/10/89/180121089.db2.gz BSBYOVRYJWNPDA-NSHDSACASA-N 1 0 257.341 2.086 10 0 CEAERO CC(C)[NH2+]Cc1cccc(OCc2cncn2C)c1 ZINC000091278281 180121261 /nfs/dbraw/zinc/12/12/61/180121261.db2.gz FWZBRMRXXGVHPN-UHFFFAOYSA-N 1 0 259.353 2.497 10 0 CEAERO Cc1ccc(CN(C)CC[C@H]2CSCC[NH2+]2)o1 ZINC000091292020 180123410 /nfs/dbraw/zinc/12/34/10/180123410.db2.gz RUSYGKGZWDCLOC-LBPRGKRZSA-N 1 0 254.399 2.115 10 0 CEAERO CN(C)[C@@H]1CCC[N@@H+]([C@@H]2CCCCCC[C@@H]2O)C1 ZINC000091428847 180152785 /nfs/dbraw/zinc/15/27/85/180152785.db2.gz DUNMGMYSICMMOC-KFWWJZLASA-N 1 0 254.418 2.096 10 0 CEAERO CCc1ccc([C@H](O)CN2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091433102 180153526 /nfs/dbraw/zinc/15/35/26/180153526.db2.gz CFJXXMQXGAMUPR-DLBZAZTESA-N 1 0 276.424 2.308 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(c2nc(C3CC3)c(CO)s2)C1 ZINC000091432983 180153812 /nfs/dbraw/zinc/15/38/12/180153812.db2.gz KBVGPWRGHWDEFK-LLVKDONJSA-N 1 0 281.425 2.043 10 0 CEAERO CCNc1ccc(CN2CCC[C@@H]([NH+](C)C)C2)cn1 ZINC000091432293 180153871 /nfs/dbraw/zinc/15/38/71/180153871.db2.gz MDABPAPNKPCCIW-CQSZACIVSA-N 1 0 262.401 2.039 10 0 CEAERO CCCOCCOc1cncc(C[NH2+]C(C)(C)C)n1 ZINC000091435333 180154066 /nfs/dbraw/zinc/15/40/66/180154066.db2.gz XHPLICCOBJHEMT-UHFFFAOYSA-N 1 0 267.373 2.170 10 0 CEAERO CC(C)OCCOc1cncc(C[NH2+]C(C)(C)C)n1 ZINC000091433616 180154103 /nfs/dbraw/zinc/15/41/03/180154103.db2.gz QLERYTBCKQKXCX-UHFFFAOYSA-N 1 0 267.373 2.169 10 0 CEAERO CCCCOCCOc1cncc(C[NH2+]CC(C)C)n1 ZINC000091433662 180154693 /nfs/dbraw/zinc/15/46/93/180154693.db2.gz XGFMWTZKEPURKY-UHFFFAOYSA-N 1 0 281.400 2.418 10 0 CEAERO CC1(C)CC[N@H+](C[C@H](O)c2ccc3c(c2)OCO3)C1 ZINC000091439744 180155857 /nfs/dbraw/zinc/15/58/57/180155857.db2.gz XHRZOVNCAZBHLQ-LBPRGKRZSA-N 1 0 263.337 2.181 10 0 CEAERO Cc1ccc([C@H](O)[C@@H](C)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091449016 180157309 /nfs/dbraw/zinc/15/73/09/180157309.db2.gz AWEUYHDKLZHZFF-HYVNUMGLSA-N 1 0 276.424 2.443 10 0 CEAERO CC[C@@H]1CN(C(=O)c2ccncc2Cl)[C@@H](CC)C[NH2+]1 ZINC000091457085 180160145 /nfs/dbraw/zinc/16/01/45/180160145.db2.gz MYXOXOZFIZLFCX-MNOVXSKESA-N 1 0 281.787 2.338 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@H]1NC(=O)c1ccncc1Cl ZINC000091456932 180160219 /nfs/dbraw/zinc/16/02/19/180160219.db2.gz HKCUORFTTNAORE-VXGBXAGGSA-N 1 0 267.760 2.125 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccccc1F)N(C)CC1CC(O)C1 ZINC000091463800 180162163 /nfs/dbraw/zinc/16/21/63/180162163.db2.gz OGMOYCSUNIFANI-TUHYSUIHSA-N 1 0 280.387 2.307 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccccc1F)N(C)CC1CC(O)C1 ZINC000091463799 180162543 /nfs/dbraw/zinc/16/25/43/180162543.db2.gz OGMOYCSUNIFANI-INCPQMAJSA-N 1 0 280.387 2.307 10 0 CEAERO CC[C@@](C)([NH3+])c1noc(-c2ccncc2Cl)n1 ZINC000091464181 180162898 /nfs/dbraw/zinc/16/28/98/180162898.db2.gz AAYDPRLVGDICJW-LLVKDONJSA-N 1 0 252.705 2.369 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1cccc(C)c1)N(C)CC1CC(O)C1 ZINC000091464206 180163347 /nfs/dbraw/zinc/16/33/47/180163347.db2.gz SJWKHCYPBDMPTG-KMZOKZLKSA-N 1 0 276.424 2.476 10 0 CEAERO C[C@@](O)(CC[NH3+])Cc1ccn(C2CCCCC2)n1 ZINC000091467083 180164285 /nfs/dbraw/zinc/16/42/85/180164285.db2.gz JWVHIAYOXVDYQJ-CQSZACIVSA-N 1 0 251.374 2.031 10 0 CEAERO COc1ccc(Cl)cc1C[C@H](O)C[NH2+]CC(C)C ZINC000091466636 180164515 /nfs/dbraw/zinc/16/45/15/180164515.db2.gz YPWRLYQUFYRWRA-ZDUSSCGKSA-N 1 0 271.788 2.498 10 0 CEAERO CCc1cc(C[C@@](C)(O)CC[NH2+]C(C)C)n(CC)n1 ZINC000091468124 180164896 /nfs/dbraw/zinc/16/48/96/180164896.db2.gz LQCTVKGXPBTDNU-HNNXBMFYSA-N 1 0 267.417 2.147 10 0 CEAERO CSC1(C[NH3+])CCN(c2nc(C(C)C)ns2)CC1 ZINC000091474063 180165687 /nfs/dbraw/zinc/16/56/87/180165687.db2.gz AJCFNDLCEZNZPS-UHFFFAOYSA-N 1 0 286.470 2.322 10 0 CEAERO CCNc1nc(CC[NH+](CC)CC)nc(C)c1F ZINC000091502051 180175386 /nfs/dbraw/zinc/17/53/86/180175386.db2.gz KONCBHDKKCACEY-UHFFFAOYSA-N 1 0 254.353 2.240 10 0 CEAERO Cc1ccc(C(F)(F)F)cc1NC[C@H](O)C[NH+](C)C ZINC000091479608 180166545 /nfs/dbraw/zinc/16/65/45/180166545.db2.gz IUKHIHSALJWLLE-NSHDSACASA-N 1 0 276.302 2.348 10 0 CEAERO OCC1C[NH+](CCOc2ccc3ccccc3c2)C1 ZINC000091487471 180167889 /nfs/dbraw/zinc/16/78/89/180167889.db2.gz MPGWVTIFSQRRNR-UHFFFAOYSA-N 1 0 257.333 2.143 10 0 CEAERO CSC1(C(N)=S)CC[NH+](CCc2ccccn2)CC1 ZINC000091489057 180168570 /nfs/dbraw/zinc/16/85/70/180168570.db2.gz MANDWMXFYJVEFO-UHFFFAOYSA-N 1 0 295.477 2.108 10 0 CEAERO C[N@H+](CC1CC(O)C1)C[C@@H]1OCCc2ccccc21 ZINC000091489894 180169221 /nfs/dbraw/zinc/16/92/21/180169221.db2.gz BLQIUWHOFVDBGC-PXCJXSSVSA-N 1 0 261.365 2.003 10 0 CEAERO CC(C)N(C(=O)C[N@H+](C)CC1CC(O)C1)c1ccccc1 ZINC000091490263 180170267 /nfs/dbraw/zinc/17/02/67/180170267.db2.gz NZXNZSDAXWJSCM-UHFFFAOYSA-N 1 0 290.407 2.131 10 0 CEAERO Cc1ccc(CCC(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000091496260 180172141 /nfs/dbraw/zinc/17/21/41/180172141.db2.gz MAMXGBSTWWFYLG-UKRRQHHQSA-N 1 0 260.381 2.184 10 0 CEAERO CC[C@@H]1CCc2nc([C@@H]3C[NH2+]CCO3)sc2C1 ZINC000091501362 180174503 /nfs/dbraw/zinc/17/45/03/180174503.db2.gz GICMNZPRZMIHIN-KOLCDFICSA-N 1 0 252.383 2.319 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc3c2NCCC3)C1 ZINC000091392145 180144836 /nfs/dbraw/zinc/14/48/36/180144836.db2.gz NCIDRUGBZMZDJL-CQSZACIVSA-N 1 0 287.407 2.211 10 0 CEAERO CCC(CC)[C@@H](NC(=O)C1C[NH2+]C1)c1ccccc1 ZINC000091408872 180148403 /nfs/dbraw/zinc/14/84/03/180148403.db2.gz PSLBOUPKCFYMNJ-OAHLLOKOSA-N 1 0 260.381 2.500 10 0 CEAERO C[C@@H](c1ccccc1Cl)N(C)C(=O)C1C[NH2+]C1 ZINC000091411825 180148888 /nfs/dbraw/zinc/14/88/88/180148888.db2.gz KXADUYFMHGHIFA-VIFPVBQESA-N 1 0 252.745 2.079 10 0 CEAERO CC[NH2+]Cc1cncc(N2Cc3ccccc3C2)n1 ZINC000091418187 180150055 /nfs/dbraw/zinc/15/00/55/180150055.db2.gz GPVRSIKZTSHGDS-UHFFFAOYSA-N 1 0 254.337 2.106 10 0 CEAERO Cc1cc(C)cc(CN2CCN(C3CC[NH2+]CC3)C2=O)c1 ZINC000091501343 180174828 /nfs/dbraw/zinc/17/48/28/180174828.db2.gz MGMNUGICZYTBAQ-UHFFFAOYSA-N 1 0 287.407 2.293 10 0 CEAERO CC(C)Cc1ccc([C@H](O)C[NH2+]C2CC(O)C2)cc1 ZINC000091423886 180151332 /nfs/dbraw/zinc/15/13/32/180151332.db2.gz XNJDITZNDFSONB-UYSNPLJNSA-N 1 0 263.381 2.031 10 0 CEAERO C[NH2+]Cc1cncc(N2CCC[C@H](C(C)C)CC2)n1 ZINC000091421949 180151478 /nfs/dbraw/zinc/15/14/78/180151478.db2.gz MYJFJSMPVZKXRS-ZDUSSCGKSA-N 1 0 262.401 2.459 10 0 CEAERO CN(C)[C@H]1CCC[N@H+](CC2(CO)CCCCCC2)C1 ZINC000091427342 180152063 /nfs/dbraw/zinc/15/20/63/180152063.db2.gz PEDUUWSMTRLPQJ-HNNXBMFYSA-N 1 0 268.445 2.345 10 0 CEAERO CC(C)([C@@H](O)CCc1ccsc1)[NH+]1CCOCC1 ZINC000091565799 180193536 /nfs/dbraw/zinc/19/35/36/180193536.db2.gz ZOSIHVSOSUUZQY-ZDUSSCGKSA-N 1 0 269.410 2.152 10 0 CEAERO C[NH2+][C@@H](Cc1cccc(F)c1F)C(C)(C)N1CCOCC1 ZINC000091566458 180193962 /nfs/dbraw/zinc/19/39/62/180193962.db2.gz XHYYXXCCMOIWFI-AWEZNQCLSA-N 1 0 298.377 2.206 10 0 CEAERO Cc1ccc(C[C@@H]([NH3+])C(C)(C)N2CCOCC2)cc1C ZINC000091566252 180194267 /nfs/dbraw/zinc/19/42/67/180194267.db2.gz DIIYUYKREIKWAV-MRXNPFEDSA-N 1 0 276.424 2.284 10 0 CEAERO CCc1cc(C[C@@H](O)[C@@](C)(CC)[NH+](C)C)n(CC)n1 ZINC000091569053 180194538 /nfs/dbraw/zinc/19/45/38/180194538.db2.gz VNCYUBHXZFLMJW-HUUCEWRRSA-N 1 0 267.417 2.099 10 0 CEAERO CCC[NH2+][C@H](c1nccn1CC)C(C)(C)N1CCOCC1 ZINC000091567185 180194627 /nfs/dbraw/zinc/19/46/27/180194627.db2.gz AKCRKBOMAGUWCJ-CQSZACIVSA-N 1 0 294.443 2.055 10 0 CEAERO CC[C@](C)([C@H](O)Cc1cccc(OC)c1)[NH+](C)C ZINC000091569549 180195313 /nfs/dbraw/zinc/19/53/13/180195313.db2.gz BMDUQOCWAIGYNH-HUUCEWRRSA-N 1 0 251.370 2.329 10 0 CEAERO CC[C@@](C)([C@H](Cc1c(Cl)c(C)nn1C)[NH2+]C)N(C)C ZINC000091570366 180195351 /nfs/dbraw/zinc/19/53/51/180195351.db2.gz JHLFIDJHAGVEFK-JSGCOSHPSA-N 1 0 286.851 2.243 10 0 CEAERO CC[C@](C)([C@H](O)Cc1ccccc1OC)[NH+](C)C ZINC000091569369 180195591 /nfs/dbraw/zinc/19/55/91/180195591.db2.gz ADOSEULHOGSZSL-HUUCEWRRSA-N 1 0 251.370 2.329 10 0 CEAERO CC[C@H](C)n1ccc(C[C@@H](N)[C@@](C)(CC)[NH+](C)C)n1 ZINC000091569723 180195649 /nfs/dbraw/zinc/19/56/49/180195649.db2.gz KBHBIIUGACRRSR-NWANDNLSSA-N 1 0 266.433 2.454 10 0 CEAERO CCCn1nccc1[C@H]([NH2+]C)[C@@](C)(CC)N(C)C ZINC000091570496 180195802 /nfs/dbraw/zinc/19/58/02/180195802.db2.gz QXAJHAKRUCKSKO-UONOGXRCSA-N 1 0 252.406 2.284 10 0 CEAERO CC[C@](C)([C@H](O)Cc1nn(C)c2ccccc12)[NH+](C)C ZINC000091569285 180195862 /nfs/dbraw/zinc/19/58/62/180195862.db2.gz OHLQTUUZGLJERJ-HZPDHXFCSA-N 1 0 275.396 2.207 10 0 CEAERO CC[C@](C)([C@H](N)Cc1ccncc1Cl)[NH+](C)C ZINC000091569761 180195873 /nfs/dbraw/zinc/19/58/73/180195873.db2.gz SGGXBJBDABVYOM-CHWSQXEVSA-N 1 0 255.793 2.335 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@@H](O)Cc1cccnc1N ZINC000091573223 180196425 /nfs/dbraw/zinc/19/64/25/180196425.db2.gz CNDKRFHGYHGBOX-DZGCQCFKSA-N 1 0 265.401 2.078 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@@H](N)Cc1cc(C)nn1C ZINC000091573887 180196609 /nfs/dbraw/zinc/19/66/09/180196609.db2.gz VUAACVKDOSMVQK-LSDHHAIUSA-N 1 0 266.433 2.109 10 0 CEAERO CC(C)c1nn(C)c(N2CC[NH+](C(C)(C)C)CC2)c1N ZINC000091578898 180198205 /nfs/dbraw/zinc/19/82/05/180198205.db2.gz SOPBERSKOCVVHR-UHFFFAOYSA-N 1 0 279.432 2.046 10 0 CEAERO CC(C)c1nn(C)c(N[C@H](C)C[NH+]2CCCC2)c1N ZINC000091580869 180199225 /nfs/dbraw/zinc/19/92/25/180199225.db2.gz XVWJFMPMTKRXRN-LLVKDONJSA-N 1 0 265.405 2.022 10 0 CEAERO CC[NH2+][C@@H](Cc1cnn(C)c1)[C@@](C)(CC)N(CC)CC ZINC000091600396 180202276 /nfs/dbraw/zinc/20/22/76/180202276.db2.gz BONVNAJPKMRFII-JKSUJKDBSA-N 1 0 280.460 2.451 10 0 CEAERO CCN(CC)[C@@](C)(CC)[C@@H](Cc1cccnc1N)[NH2+]C ZINC000091599396 180202691 /nfs/dbraw/zinc/20/26/91/180202691.db2.gz RWVIBLQHTXVEDF-ZBFHGGJFSA-N 1 0 278.444 2.305 10 0 CEAERO CCC[NH2+][C@H](Cc1ncnn1C)[C@@](C)(CC)N(CC)CC ZINC000091601504 180202984 /nfs/dbraw/zinc/20/29/84/180202984.db2.gz UIWMSHMJPHLYMY-GDBMZVCRSA-N 1 0 295.475 2.236 10 0 CEAERO CCn1nccc1[C@H](O)[C@@](C)(CC)[NH+]1CCCC1 ZINC000091602524 180203555 /nfs/dbraw/zinc/20/35/55/180203555.db2.gz DLRPURHYZCDTTD-UONOGXRCSA-N 1 0 251.374 2.201 10 0 CEAERO CC[C@](C)([C@@H](NC)c1cnccc1N)[NH+]1CCCC1 ZINC000091606327 180204295 /nfs/dbraw/zinc/20/42/95/180204295.db2.gz IFZYQIBEJCZHRH-LSDHHAIUSA-N 1 0 262.401 2.189 10 0 CEAERO CC[C@@](C)([C@@H](N)Cc1ccnc(N)c1)[NH+]1CCCCC1 ZINC000091609003 180205014 /nfs/dbraw/zinc/20/50/14/180205014.db2.gz BEHQXPMGCVWSFK-HOCLYGCPSA-N 1 0 276.428 2.188 10 0 CEAERO CC[C@](C)([C@H](O)c1ccnn1C)[NH+]1CCCCC1 ZINC000091608878 180205489 /nfs/dbraw/zinc/20/54/89/180205489.db2.gz OQXGBQGCBRGQDF-ZIAGYGMSSA-N 1 0 251.374 2.108 10 0 CEAERO CCn1ncnc1C[C@@H]([NH2+]C)[C@](C)(CC)N1CCCCC1 ZINC000091610057 180205956 /nfs/dbraw/zinc/20/59/56/180205956.db2.gz RWYVQABUXGQXIV-ZBFHGGJFSA-N 1 0 293.459 2.083 10 0 CEAERO CC[C@@](C)([C@@H]([NH3+])Cc1cccc(F)c1F)N1CCOCC1 ZINC000091611627 180206191 /nfs/dbraw/zinc/20/61/91/180206191.db2.gz HTIATJSRRZZGLJ-HOCLYGCPSA-N 1 0 298.377 2.336 10 0 CEAERO CC[C@@](C)([C@H]([NH3+])c1ccc(F)cc1F)N1CCOCC1 ZINC000091611629 180206590 /nfs/dbraw/zinc/20/65/90/180206590.db2.gz HDSHHBWUAWNVOQ-CABCVRRESA-N 1 0 284.350 2.466 10 0 CEAERO CC[C@](C)([C@@H]([NH3+])c1ccc(OC)cc1)N1CCOCC1 ZINC000091611572 180206828 /nfs/dbraw/zinc/20/68/28/180206828.db2.gz ONNJOPJSLNTXJC-JKSUJKDBSA-N 1 0 278.396 2.196 10 0 CEAERO CC[C@](C)([C@H]([NH3+])Cc1ccccc1OC)N1CCOCC1 ZINC000091612178 180207200 /nfs/dbraw/zinc/20/72/00/180207200.db2.gz FERMWEPTFJWIEG-IAGOWNOFSA-N 1 0 292.423 2.066 10 0 CEAERO CCN(CC)C(CC)(CC)[C@H]([NH3+])CCCS(C)(=O)=O ZINC000091616013 180207845 /nfs/dbraw/zinc/20/78/45/180207845.db2.gz IVIAUQBPZXCMAO-CYBMUJFWSA-N 1 0 292.489 2.039 10 0 CEAERO Cc1nc(NC(=O)[C@@]2(C)CCC[NH2+]2)ccc1Br ZINC000091507374 180176456 /nfs/dbraw/zinc/17/64/56/180176456.db2.gz VUROULRCQQNDDC-GFCCVEGCSA-N 1 0 298.184 2.233 10 0 CEAERO COC(=O)[C@]1(Nc2cc(C)cc(F)c2)CC[N@@H+](C2CC2)C1 ZINC000091514781 180176877 /nfs/dbraw/zinc/17/68/77/180176877.db2.gz DHLPFRSQISXFHW-INIZCTEOSA-N 1 0 292.354 2.326 10 0 CEAERO CCC[NH2+][C@@H]1CCN(c2cc(C)cc(F)c2)C1=O ZINC000091514603 180176953 /nfs/dbraw/zinc/17/69/53/180176953.db2.gz BVYAQKOEQYENPF-CYBMUJFWSA-N 1 0 250.317 2.239 10 0 CEAERO CC(C)C[NH2+]CC[C@@](C)(O)Cc1ccn(C(C)C)n1 ZINC000091519842 180178154 /nfs/dbraw/zinc/17/81/54/180178154.db2.gz SVDJQEIKRKLGKN-OAHLLOKOSA-N 1 0 267.417 2.393 10 0 CEAERO CC(C)C[NH2+]CC[C@](C)(O)Cc1ccn(C(C)C)n1 ZINC000091519841 180178428 /nfs/dbraw/zinc/17/84/28/180178428.db2.gz SVDJQEIKRKLGKN-HNNXBMFYSA-N 1 0 267.417 2.393 10 0 CEAERO C[NH+](C)C(C)(C)[C@@H](O)Cc1ccn(C2CCCC2)n1 ZINC000091528200 180180047 /nfs/dbraw/zinc/18/00/47/180180047.db2.gz UUTDBOLPTBPAHB-AWEZNQCLSA-N 1 0 265.401 2.242 10 0 CEAERO CC[NH+](CC)C(C)(C)[C@@H](O)c1cc(C)cnc1N ZINC000091530117 180180384 /nfs/dbraw/zinc/18/03/84/180180384.db2.gz FOIHZWYMNMZDKW-LBPRGKRZSA-N 1 0 251.374 2.126 10 0 CEAERO CCCn1nccc1[C@@H](O)C(C)(C)[NH+]1CCCC1 ZINC000091533308 180181339 /nfs/dbraw/zinc/18/13/39/180181339.db2.gz ZZLJLGSKGXXODL-CYBMUJFWSA-N 1 0 251.374 2.201 10 0 CEAERO COc1cccc(C[C@@H](N)C(C)(C)[NH+]2CCCC2)c1 ZINC000091534072 180181676 /nfs/dbraw/zinc/18/16/76/180181676.db2.gz VCARLHWRXVPJFN-OAHLLOKOSA-N 1 0 262.397 2.439 10 0 CEAERO CC[NH2+][C@H](c1ccnn1CC)C(C)(C)N1CCCC1 ZINC000091535154 180182529 /nfs/dbraw/zinc/18/25/29/180182529.db2.gz LXKAFWKHPLXKOU-CQSZACIVSA-N 1 0 264.417 2.428 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](C(=O)Nc2cccc3cnccc32)C1 ZINC000091543518 180184894 /nfs/dbraw/zinc/18/48/94/180184894.db2.gz UCUNGJLQWVSOME-ZYHUDNBSSA-N 1 0 255.321 2.301 10 0 CEAERO CCOc1ccc(CN(C)C(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000091547335 180187422 /nfs/dbraw/zinc/18/74/22/180187422.db2.gz UIBCRKPLXNJKNQ-ZIAGYGMSSA-N 1 0 276.380 2.171 10 0 CEAERO CCOc1ccc(CN(C)C(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000091547331 180187537 /nfs/dbraw/zinc/18/75/37/180187537.db2.gz UIBCRKPLXNJKNQ-KGLIPLIRSA-N 1 0 276.380 2.171 10 0 CEAERO CCCCCC[C@H](C)[NH2+][C@H]1CC(=O)N(C2CC2)C1=O ZINC000105039918 186038824 /nfs/dbraw/zinc/03/88/24/186038824.db2.gz SYRIXMSPUNUVGN-AAEUAGOBSA-N 1 0 266.385 2.225 10 0 CEAERO CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091548314 180188103 /nfs/dbraw/zinc/18/81/03/180188103.db2.gz LFOKHCDJLOHQEN-RYUDHWBXSA-N 1 0 282.334 2.441 10 0 CEAERO CCC(CC)([C@H](N)c1cccnc1N)[NH+]1CCCC1 ZINC000091635014 180211133 /nfs/dbraw/zinc/21/11/33/180211133.db2.gz MNEHIWQFBDLIGS-CYBMUJFWSA-N 1 0 262.401 2.318 10 0 CEAERO CC[NH2+][C@@H](Cc1ccnc(N)c1)C1(N(C)C)CCCC1 ZINC000091637933 180212211 /nfs/dbraw/zinc/21/22/11/180212211.db2.gz WCRSZDJATJAWRI-AWEZNQCLSA-N 1 0 276.428 2.059 10 0 CEAERO C[NH2+][C@@H](c1cncc(F)c1)C1(N(C)C)CCCC1 ZINC000091637799 180212332 /nfs/dbraw/zinc/21/23/32/180212332.db2.gz ISCZSEGBMAANDO-ZDUSSCGKSA-N 1 0 251.349 2.356 10 0 CEAERO CCN[C@@H](c1nccn1C)C1([NH+]2CCCC2)CCCC1 ZINC000091641149 180213197 /nfs/dbraw/zinc/21/31/97/180213197.db2.gz WLUKRIQZROWZHG-AWEZNQCLSA-N 1 0 276.428 2.479 10 0 CEAERO C[NH2+][C@H](Cc1cc(C)nn1C)C1(N2CCCC2)CCCC1 ZINC000091640992 180213588 /nfs/dbraw/zinc/21/35/88/180213588.db2.gz VLGNIJGYUREKNS-MRXNPFEDSA-N 1 0 290.455 2.268 10 0 CEAERO Cc1ccncc1[C@H](O)C1([NH+]2CCOCC2)CCCC1 ZINC000091642774 180213841 /nfs/dbraw/zinc/21/38/41/180213841.db2.gz NETOQGOAJWTACA-HNNXBMFYSA-N 1 0 276.380 2.068 10 0 CEAERO [NH3+][C@H](CCC[C@H]1CCCO1)C1(N2CCOCC2)CCCC1 ZINC000091643075 180213981 /nfs/dbraw/zinc/21/39/81/180213981.db2.gz YDHBDKUUONRBAU-JKSUJKDBSA-N 1 0 296.455 2.308 10 0 CEAERO Cc1ccc(C)c2c(=O)cc(CN3CCC[C@H]([NH3+])CC3)[nH]c12 ZINC000091644626 180215054 /nfs/dbraw/zinc/21/50/54/180215054.db2.gz LECGQFVKSDGIFZ-AWEZNQCLSA-N 1 0 299.418 2.458 10 0 CEAERO CCC[C@H]([NH2+]CC)C1(N2CCOCC2)CCCC1 ZINC000091646243 180215781 /nfs/dbraw/zinc/21/57/81/180215781.db2.gz KXBONQIBFNTFMX-AWEZNQCLSA-N 1 0 254.418 2.410 10 0 CEAERO C[C@@H]1CCC[C@@](C(=O)c2cccnc2N)([NH+](C)C)C1 ZINC000091649639 180216184 /nfs/dbraw/zinc/21/61/84/180216184.db2.gz GZYPGEDAYURBLC-IAQYHMDHSA-N 1 0 261.369 2.357 10 0 CEAERO C[NH2+][C@@H](c1cnccn1)C1(N(C)C)CCC(C)CC1 ZINC000091649088 180216572 /nfs/dbraw/zinc/21/65/72/180216572.db2.gz AKAZUWIJKOTUAF-BLZCZZARSA-N 1 0 262.401 2.248 10 0 CEAERO C[NH+](C)C1(C(=O)Cc2ccnc(N)c2)CCCCCC1 ZINC000091653553 180216935 /nfs/dbraw/zinc/21/69/35/180216935.db2.gz OONOXVMVGXVFLE-UHFFFAOYSA-N 1 0 275.396 2.430 10 0 CEAERO CC(C)n1ncnc1C[C@H](O)C1([NH+](C)C)CCCCCC1 ZINC000091653783 180217243 /nfs/dbraw/zinc/21/72/43/180217243.db2.gz XYHAPGYDSFAVQA-AWEZNQCLSA-N 1 0 294.443 2.417 10 0 CEAERO Cc1cccc2c1OCCC[C@@H]2[NH2+]C[C@H]1CN(C)CCO1 ZINC000091667512 180223213 /nfs/dbraw/zinc/22/32/13/180223213.db2.gz WUCUXCJSTIZJJT-HOCLYGCPSA-N 1 0 290.407 2.129 10 0 CEAERO Cc1cc(C)cc([C@H](O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000091715646 180232275 /nfs/dbraw/zinc/23/22/75/180232275.db2.gz YKGFXCIMAVKAMY-PMPSAXMXSA-N 1 0 261.365 2.200 10 0 CEAERO C[NH2+][C@@H](Cc1cccc2ccccc21)[C@@H]1CN(C)CCO1 ZINC000091717479 180232754 /nfs/dbraw/zinc/23/27/54/180232754.db2.gz CBHFAXCWNVZCOR-ROUUACIJSA-N 1 0 284.403 2.301 10 0 CEAERO CC[NH2+][C@H](c1ccc(CC)cc1)[C@@H]1CN(C)CCO1 ZINC000091718747 180233303 /nfs/dbraw/zinc/23/33/03/180233303.db2.gz KMNGULFQECHFDE-JKSUJKDBSA-N 1 0 262.397 2.230 10 0 CEAERO CC[NH2+][C@@H](Cc1cccc(Cl)c1)[C@H]1CN(C)CCO1 ZINC000091718844 180233378 /nfs/dbraw/zinc/23/33/78/180233378.db2.gz GHHCORXOTNOMKS-LSDHHAIUSA-N 1 0 282.815 2.191 10 0 CEAERO CC[NH2+][C@@H](c1ccc(F)c(C)c1)[C@@H]1CN(C)CCO1 ZINC000091718290 180233717 /nfs/dbraw/zinc/23/37/17/180233717.db2.gz SQUCSIIAUMCTJW-GJZGRUSLSA-N 1 0 266.360 2.115 10 0 CEAERO CC[NH2+][C@H](Cc1ccccc1Cl)[C@H]1CN(C)CCO1 ZINC000091718685 180233809 /nfs/dbraw/zinc/23/38/09/180233809.db2.gz MJUWEDAQBJSBFR-HUUCEWRRSA-N 1 0 282.815 2.191 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccc(OC)c(F)c1)CN(C)C ZINC000091719898 180233992 /nfs/dbraw/zinc/23/39/92/180233992.db2.gz JQJLRYUNGOIUOO-ZDUSSCGKSA-N 1 0 268.376 2.307 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccc(F)cc1F)[C@@H]1CN(C)CCO1 ZINC000091719430 180234022 /nfs/dbraw/zinc/23/40/22/180234022.db2.gz IRWXYVFZUFQBHT-HOTGVXAUSA-N 1 0 298.377 2.206 10 0 CEAERO C[NH2+][C@H](c1ccccc1Cl)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091720954 180236373 /nfs/dbraw/zinc/23/63/73/180236373.db2.gz HOGBXXZTEGGSEY-BYCMXARLSA-N 1 0 280.799 2.464 10 0 CEAERO C[NH2+][C@H](CCc1ccccc1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721465 180237848 /nfs/dbraw/zinc/23/78/48/180237848.db2.gz YVOIXEWYALPBLX-ZACQAIPSSA-N 1 0 274.408 2.070 10 0 CEAERO CC[NH2+][C@H](C1CCCCC1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721745 180238450 /nfs/dbraw/zinc/23/84/50/180238450.db2.gz WNKOLWKVWOPPGZ-OWCLPIDISA-N 1 0 266.429 2.408 10 0 CEAERO C[NH2+][C@@H](C)c1cccn1CC(=O)Nc1ccccc1OC ZINC000091800543 180259359 /nfs/dbraw/zinc/25/93/59/180259359.db2.gz XXCSYQABNKBAJO-LBPRGKRZSA-N 1 0 287.363 2.416 10 0 CEAERO CCC(C)(C)NC(=O)Cn1cccc1[C@@H](C)[NH2+]C ZINC000091801012 180259365 /nfs/dbraw/zinc/25/93/65/180259365.db2.gz GCZOBFIJHWAXIB-LLVKDONJSA-N 1 0 251.374 2.073 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1cnn(C)c1)n1ccnc1-c1ccccc1 ZINC000105554334 186063271 /nfs/dbraw/zinc/06/32/71/186063271.db2.gz KKFFRHIVBAXZCC-IUODEOHRSA-N 1 0 281.363 2.220 10 0 CEAERO CCC[C@]1(C(=O)Nn2c(C)ccc2C)CCC[NH2+]C1 ZINC000091787768 180256115 /nfs/dbraw/zinc/25/61/15/180256115.db2.gz QVRJIRXXGMKWEU-HNNXBMFYSA-N 1 0 263.385 2.345 10 0 CEAERO CCC[C@H](C)NC(=O)Cn1cccc1[C@H](C)[NH2+]CC ZINC000091802210 180258710 /nfs/dbraw/zinc/25/87/10/180258710.db2.gz XKGCWOQOLVFQRM-STQMWFEESA-N 1 0 265.401 2.463 10 0 CEAERO CC[NH2+][C@H](C)c1cccn1CC(=O)N(C)C(C)C ZINC000091801830 180259100 /nfs/dbraw/zinc/25/91/00/180259100.db2.gz HNLOUKFDNDCSKH-GFCCVEGCSA-N 1 0 251.374 2.025 10 0 CEAERO CC[NH2+][C@H](C)c1cccn1Cc1ncnn1CC(C)C ZINC000091801807 180259236 /nfs/dbraw/zinc/25/92/36/180259236.db2.gz JNKZLEIQNGCDBM-CYBMUJFWSA-N 1 0 275.400 2.454 10 0 CEAERO CN1CCO[C@@H](c2ncc(C[NH2+]C(C)(C)C)s2)C1 ZINC000091723173 180242056 /nfs/dbraw/zinc/24/20/56/180242056.db2.gz URRCCMPMZCOJNO-LLVKDONJSA-N 1 0 269.414 2.034 10 0 CEAERO CCN(CC)c1ncc(C[NH2+]CCc2nc(C)no2)s1 ZINC000105469730 186059005 /nfs/dbraw/zinc/05/90/05/186059005.db2.gz GSCXDGWUQZCQET-UHFFFAOYSA-N 1 0 295.412 2.013 10 0 CEAERO CCC[NH2+][C@H](C)[C@@H](CC)c1nc(CN(C)C)no1 ZINC000091747620 180244727 /nfs/dbraw/zinc/24/47/27/180244727.db2.gz ZUOGPOYIGQYXQY-GHMZBOCLSA-N 1 0 254.378 2.013 10 0 CEAERO C[N@H+](C[C@@](C)(O)c1ccccc1)C1CCC(=O)CC1 ZINC000091853823 180273579 /nfs/dbraw/zinc/27/35/79/180273579.db2.gz JOSSAUJKWUJKIK-MRXNPFEDSA-N 1 0 261.365 2.338 10 0 CEAERO C[N@H+](CCc1ccncc1)C1CCC2(CC1)OCCO2 ZINC000091853529 180273714 /nfs/dbraw/zinc/27/37/14/180273714.db2.gz CNNMVIVKTNXGNV-UHFFFAOYSA-N 1 0 276.380 2.242 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)c2ccc(C)cc2O)CC1 ZINC000091854436 180274847 /nfs/dbraw/zinc/27/48/47/180274847.db2.gz NCIPKUVDXQKVON-UHFFFAOYSA-N 1 0 276.380 2.303 10 0 CEAERO CC[NH2+][C@@H](C)c1ccn(CC(=O)N[C@@H](C)C(C)C)c1 ZINC000091805172 180260173 /nfs/dbraw/zinc/26/01/73/180260173.db2.gz XCTZUYOGGGDGND-STQMWFEESA-N 1 0 265.401 2.319 10 0 CEAERO CC[C@H]([NH2+]C)c1ccn(CCCC(=O)N(C)C)c1 ZINC000091817015 180263076 /nfs/dbraw/zinc/26/30/76/180263076.db2.gz XXZJEXKBPVYMBK-ZDUSSCGKSA-N 1 0 251.374 2.027 10 0 CEAERO CCCCNC(=O)Cn1ccc([C@@H](CC)[NH2+]CC)c1 ZINC000091817231 180263083 /nfs/dbraw/zinc/26/30/83/180263083.db2.gz UXKCWDJXPCGSPY-CQSZACIVSA-N 1 0 265.401 2.465 10 0 CEAERO CCC[C@@H]([NH3+])c1ccn(CC(=O)N[C@H](C)CC)c1 ZINC000091820732 180264065 /nfs/dbraw/zinc/26/40/65/180264065.db2.gz RZKMSXNTQRIGFX-DGCLKSJQSA-N 1 0 251.374 2.203 10 0 CEAERO CCC[C@@H]([NH2+]C)c1ccn(CCCC(=O)N(C)C)c1 ZINC000091822534 180264127 /nfs/dbraw/zinc/26/41/27/180264127.db2.gz KBRDWSCOVUOORY-CQSZACIVSA-N 1 0 265.401 2.417 10 0 CEAERO CCC[NH2+][C@@H](CCC)c1ccn(CC(=O)NCC)c1 ZINC000091823699 180264183 /nfs/dbraw/zinc/26/41/83/180264183.db2.gz QSOIXIQJPLCXLD-AWEZNQCLSA-N 1 0 265.401 2.465 10 0 CEAERO CC(C)CCNC(=O)Cn1ccc([C@H]([NH3+])C(C)C)c1 ZINC000091825855 180264609 /nfs/dbraw/zinc/26/46/09/180264609.db2.gz MALPNCHEBSPEFE-OAHLLOKOSA-N 1 0 265.401 2.306 10 0 CEAERO CCC[C@H](C)NC(=O)Cn1ccc([C@H]([NH3+])C(C)C)c1 ZINC000091826320 180264641 /nfs/dbraw/zinc/26/46/41/180264641.db2.gz MKWCKYGKBHFJHM-SWLSCSKDSA-N 1 0 265.401 2.449 10 0 CEAERO CCCCOC(=O)Cn1ccc([C@H]([NH3+])C(C)C)c1 ZINC000091825724 180264757 /nfs/dbraw/zinc/26/47/57/180264757.db2.gz NSYJEERSUOJBPM-CQSZACIVSA-N 1 0 252.358 2.487 10 0 CEAERO CCC(CC)NC(=O)Cn1ccc([C@@H]([NH3+])C(C)C)c1 ZINC000091826315 180265249 /nfs/dbraw/zinc/26/52/49/180265249.db2.gz FBEZALQAJYAMFR-HNNXBMFYSA-N 1 0 265.401 2.449 10 0 CEAERO CC[NH2+][C@H](c1ccn(CC(=O)NCC(C)C)c1)C1CC1 ZINC000091838629 180268270 /nfs/dbraw/zinc/26/82/70/180268270.db2.gz JVTSKRJJCQBWAK-INIZCTEOSA-N 1 0 277.412 2.321 10 0 CEAERO C[C@H]1CN(Cc2nc(-c3ccoc3)no2)CCS1 ZINC000105614556 186066432 /nfs/dbraw/zinc/06/64/32/186066432.db2.gz NNCPVBDTJYBRPC-VIFPVBQESA-N 1 0 265.338 2.267 10 0 CEAERO C[N@H+](C[C@@H](C(=O)[O-])c1ccccc1)C1CCC([NH3+])CC1 ZINC000091847009 180270465 /nfs/dbraw/zinc/27/04/65/180270465.db2.gz SCFUIVCEHIPDOI-YMAMQOFZSA-N 1 0 276.380 2.057 10 0 CEAERO C[NH2+]Cc1ncoc1-c1ccc(OC)c(OC)c1OC ZINC000091957649 180292657 /nfs/dbraw/zinc/29/26/57/180292657.db2.gz KMGYOWODHIZFRC-UHFFFAOYSA-N 1 0 278.308 2.087 10 0 CEAERO CCN(CC)C(=O)N(CCC[NH3+])c1ccc(OC)cc1 ZINC000091961437 180292957 /nfs/dbraw/zinc/29/29/57/180292957.db2.gz OJZHVTKLEJRXOB-UHFFFAOYSA-N 1 0 279.384 2.312 10 0 CEAERO CCN(C(=O)N1CCCC1)C1(C[NH3+])CCC(C)CC1 ZINC000091963088 180293012 /nfs/dbraw/zinc/29/30/12/180293012.db2.gz BTLPHGAUCTVFAT-UHFFFAOYSA-N 1 0 267.417 2.432 10 0 CEAERO [NH3+]CCN(C(=O)N1CCCCC1)C1CCCCC1 ZINC000091969810 180294891 /nfs/dbraw/zinc/29/48/91/180294891.db2.gz UHRRNHGDQWXYSZ-UHFFFAOYSA-N 1 0 253.390 2.186 10 0 CEAERO O=C(N1CCCC1)N1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000091968341 180293864 /nfs/dbraw/zinc/29/38/64/180293864.db2.gz VUGJFGDGMQWSCB-HNNXBMFYSA-N 1 0 279.428 2.446 10 0 CEAERO O=C(N[C@H]1CC[NH2+]C2(CCCCC2)C1)N1CCCC1 ZINC000091968490 180294581 /nfs/dbraw/zinc/29/45/81/180294581.db2.gz YYSNYYGWMXEHCH-ZDUSSCGKSA-N 1 0 265.401 2.247 10 0 CEAERO CC[NH2+]C1CCC(NC(=O)N2CCCCC2)CC1 ZINC000091969131 180294607 /nfs/dbraw/zinc/29/46/07/180294607.db2.gz RYFVEHJTQOASPS-UHFFFAOYSA-N 1 0 253.390 2.103 10 0 CEAERO O=C(N1CCC[C@H]1[C@H]1CCC[NH2+]C1)N1CCCCC1 ZINC000091969188 180294621 /nfs/dbraw/zinc/29/46/21/180294621.db2.gz HCJDBVUFHKSSOI-KBPBESRZSA-N 1 0 265.401 2.056 10 0 CEAERO C[NH2+]C1CCC(NC(=O)/C=C/c2cccs2)CC1 ZINC000091871625 180277842 /nfs/dbraw/zinc/27/78/42/180277842.db2.gz MDJLSNHOURXHAA-CMDGGOBGSA-N 1 0 264.394 2.408 10 0 CEAERO CCOc1cc(N(C)C2CCC([NH2+]C)CC2)nc(C)n1 ZINC000091873718 180278880 /nfs/dbraw/zinc/27/88/80/180278880.db2.gz GHNIDNDIMAINMZ-UHFFFAOYSA-N 1 0 278.400 2.151 10 0 CEAERO CCC[NH2+][C@@H](C)c1csc(NC(=O)N2CCOCC2)n1 ZINC000091970169 180295054 /nfs/dbraw/zinc/29/50/54/180295054.db2.gz GUIVLYFHTBYVTE-JTQLQIEISA-N 1 0 298.412 2.068 10 0 CEAERO [NH3+]C[C@@H](NC(=O)N1CCCCC1)C1CCCCC1 ZINC000091969084 180294696 /nfs/dbraw/zinc/29/46/96/180294696.db2.gz GJTCTSWXFHCWLM-CYBMUJFWSA-N 1 0 253.390 2.090 10 0 CEAERO COc1ccc(OC)c([C@H](O)C2(C[NH3+])CCCC2)c1 ZINC000091908837 180284562 /nfs/dbraw/zinc/28/45/62/180284562.db2.gz DNYCMUVKAUUEDK-AWEZNQCLSA-N 1 0 265.353 2.256 10 0 CEAERO CCOc1cc([C@@H](O)[C@H](C)C[NH3+])ccc1OC(F)F ZINC000091909054 180284686 /nfs/dbraw/zinc/28/46/86/180284686.db2.gz QLSOAOUNLQUNIR-PELKAZGASA-N 1 0 275.295 2.315 10 0 CEAERO CC[C@](C)(C[NH3+])[C@@H](O)c1ccc(OC)c(OC)c1 ZINC000091908876 180284851 /nfs/dbraw/zinc/28/48/51/180284851.db2.gz BHMDDMBHKDENHU-UONOGXRCSA-N 1 0 253.342 2.112 10 0 CEAERO CC[C@@](C)(C[NH3+])[C@@H](O)c1ccc(OC)c(OC)c1OC ZINC000091910881 180285126 /nfs/dbraw/zinc/28/51/26/180285126.db2.gz SKFVYSSTJVCQMA-GJZGRUSLSA-N 1 0 283.368 2.121 10 0 CEAERO CC[C@](C)(C[NH3+])[C@@H](O)c1cc(OC)c(OC)cc1OC ZINC000091910962 180285331 /nfs/dbraw/zinc/28/53/31/180285331.db2.gz JMOZAJFHDJSHLG-LSDHHAIUSA-N 1 0 283.368 2.121 10 0 CEAERO CC1(C)CCC(C[NH3+])([C@@H](O)[C@H]2CCCOC2)CC1 ZINC000091913520 180285345 /nfs/dbraw/zinc/28/53/45/180285345.db2.gz GGYYCOKSBZMAJZ-STQMWFEESA-N 1 0 255.402 2.319 10 0 CEAERO CC[C@](C)(C[NH3+])[C@H](O)c1cc(OC)cc(OC)c1 ZINC000091911706 180285352 /nfs/dbraw/zinc/28/53/52/180285352.db2.gz HUYFRZRMRIQJLW-ZIAGYGMSSA-N 1 0 253.342 2.112 10 0 CEAERO [NH3+]C[C@]1([C@@H](O)c2cccc(C(F)(F)F)c2)CCOC1 ZINC000091911865 180285391 /nfs/dbraw/zinc/28/53/91/180285391.db2.gz HATARTIGONQCIR-NWDGAFQWSA-N 1 0 275.270 2.104 10 0 CEAERO CC(C)(C)C[C@H](O)[C@]1(C[NH3+])CCOc2ccccc21 ZINC000091918047 180286284 /nfs/dbraw/zinc/28/62/84/180286284.db2.gz QPSPMNWUASSURC-HOCLYGCPSA-N 1 0 263.381 2.463 10 0 CEAERO CC1(C)Cc2cccc([C@H](O)C3(C[NH3+])CCOCC3)c2O1 ZINC000091920155 180286686 /nfs/dbraw/zinc/28/66/86/180286686.db2.gz IFZKDYQDDVSLRI-HNNXBMFYSA-N 1 0 291.391 2.189 10 0 CEAERO CC[C@H]1C[C@@](O)(C2(C[NH3+])Cc3ccccc3C2)CCO1 ZINC000091918660 180286689 /nfs/dbraw/zinc/28/66/89/180286689.db2.gz FMVFDVDNMBFPSC-DOTOQJQBSA-N 1 0 275.392 2.050 10 0 CEAERO CC[C@@H]1CCC[C@](O)(C2(C[NH3+])CCOCC2)CC1 ZINC000091923366 180287485 /nfs/dbraw/zinc/28/74/85/180287485.db2.gz KNXBDSZXDGCSRE-UKRRQHHQSA-N 1 0 255.402 2.463 10 0 CEAERO CCN1CCO[C@@H](C[N@H+](Cc2ccccc2N)C(C)C)C1 ZINC000092058409 180314919 /nfs/dbraw/zinc/31/49/19/180314919.db2.gz WCLGKEZVSPHZRG-MRXNPFEDSA-N 1 0 291.439 2.200 10 0 CEAERO C[C@H]1CCCN(C(=O)N(C)Cc2ccc(C[NH3+])cc2)C1 ZINC000091972707 180295885 /nfs/dbraw/zinc/29/58/85/180295885.db2.gz BMMSOXLIISAQPJ-ZDUSSCGKSA-N 1 0 275.396 2.429 10 0 CEAERO CCC(CC)(C[NH3+])N(C)C(=O)N1CCC[C@@H](C)C1 ZINC000091972942 180296012 /nfs/dbraw/zinc/29/60/12/180296012.db2.gz WBOKUXNMDRVCBN-GFCCVEGCSA-N 1 0 255.406 2.288 10 0 CEAERO C[C@H]1CCCN(C(=O)N(CC[NH3+])C2CCCC2)C1 ZINC000091972952 180296251 /nfs/dbraw/zinc/29/62/51/180296251.db2.gz JGPSPZBQUSLTOW-LBPRGKRZSA-N 1 0 253.390 2.042 10 0 CEAERO CC1CCN(C(=O)N2[C@H](C)CCC[C@H]2C[NH3+])CC1 ZINC000091991222 180299965 /nfs/dbraw/zinc/29/99/65/180299965.db2.gz QNHIIFPCCALEJC-OLZOCXBDSA-N 1 0 253.390 2.040 10 0 CEAERO C[C@@H]1CCCN(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000091990997 180300016 /nfs/dbraw/zinc/30/00/16/180300016.db2.gz HOSMAQRQXSLZHM-QLFBSQMISA-N 1 0 279.428 2.445 10 0 CEAERO CC1CCN(C(=O)NC2(C(N)=[NH2+])CCCCC2)CC1 ZINC000091993268 180300533 /nfs/dbraw/zinc/30/05/33/180300533.db2.gz MQKFXCAZCZWCBZ-UHFFFAOYSA-N 1 0 266.389 2.067 10 0 CEAERO CC1CCN(C(=O)Nc2cccc(OCC(N)=[NH2+])c2)CC1 ZINC000091993389 180300546 /nfs/dbraw/zinc/30/05/46/180300546.db2.gz YZSIXCCEWHFKRV-UHFFFAOYSA-N 1 0 290.367 2.265 10 0 CEAERO CC1CCN(C(=O)N(CC[NH3+])C2CCCCC2)CC1 ZINC000091993146 180300579 /nfs/dbraw/zinc/30/05/79/180300579.db2.gz GQAVUUPZVMTUEB-UHFFFAOYSA-N 1 0 267.417 2.432 10 0 CEAERO Cc1ccc(OCc2ncccn2)c(C[NH2+]C(C)C)n1 ZINC000091995645 180302256 /nfs/dbraw/zinc/30/22/56/180302256.db2.gz UUHZADBDYJXOEE-UHFFFAOYSA-N 1 0 272.352 2.257 10 0 CEAERO CCOc1cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1N ZINC000092001530 180303888 /nfs/dbraw/zinc/30/38/88/180303888.db2.gz UIIXDQFZWHLGMT-OCCSQVGLSA-N 1 0 275.396 2.340 10 0 CEAERO C[C@@H](C[NH2+]Cc1ccc2c(c1)OCCO2)N1CCCC1 ZINC000092022061 180307557 /nfs/dbraw/zinc/30/75/57/180307557.db2.gz SKCLFOTYFIGFRN-ZDUSSCGKSA-N 1 0 276.380 2.032 10 0 CEAERO CC[NH2+]Cc1cccc(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)c1 ZINC000092113382 180327325 /nfs/dbraw/zinc/32/73/25/180327325.db2.gz BWSJOBPWBSBXPO-BETUJISGSA-N 1 0 296.436 2.073 10 0 CEAERO c1ccc(CC[N@@H+]2CCCN(c3cccnn3)CC2)cc1 ZINC000105798953 186071247 /nfs/dbraw/zinc/07/12/47/186071247.db2.gz DSVZETCGIHEQOZ-UHFFFAOYSA-N 1 0 282.391 2.231 10 0 CEAERO CCN(C(=O)[C@H](C)C[NH2+]C)[C@H](C)c1cccc(O)c1 ZINC000092134953 180332608 /nfs/dbraw/zinc/33/26/08/180332608.db2.gz ASIYPAGNVZWWCA-VXGBXAGGSA-N 1 0 264.369 2.157 10 0 CEAERO COC(C)(C)c1noc(C2([NH3+])CCCCCC2)n1 ZINC000092137935 180333569 /nfs/dbraw/zinc/33/35/69/180333569.db2.gz OPSDJOGFYAUGCO-UHFFFAOYSA-N 1 0 253.346 2.459 10 0 CEAERO CCCC1(c2nc(C(C)(C)OC)no2)CC[NH2+]CC1 ZINC000092138050 180333842 /nfs/dbraw/zinc/33/38/42/180333842.db2.gz RTSUIBXVKGMZRF-UHFFFAOYSA-N 1 0 267.373 2.372 10 0 CEAERO CCn1nc(C)c(Cl)c1C[C@H]([NH3+])C(C)(C)OC ZINC000092138712 180333879 /nfs/dbraw/zinc/33/38/79/180333879.db2.gz FOBXZOKEYXNMGN-JTQLQIEISA-N 1 0 259.781 2.160 10 0 CEAERO CC[NH2+][C@@H]1CCC[C@@H]1c1nc(C(C)(C)OC)no1 ZINC000092141498 180334286 /nfs/dbraw/zinc/33/42/86/180334286.db2.gz YDWVUBCZTDCPRL-VHSXEESVSA-N 1 0 253.346 2.197 10 0 CEAERO C[C@@H]1C[NH+](CCOc2ccccc2C(N)=S)C[C@H]1C ZINC000092085519 180320377 /nfs/dbraw/zinc/32/03/77/180320377.db2.gz HGGRQATYHGOXGB-VXGBXAGGSA-N 1 0 278.421 2.287 10 0 CEAERO CC(C)C[NH2+]Cc1ccc(N2C[C@@H](C)[C@H](C)C2)nn1 ZINC000092088936 180321413 /nfs/dbraw/zinc/32/14/13/180321413.db2.gz ROIKLEWSAWZXHX-CHWSQXEVSA-N 1 0 262.401 2.314 10 0 CEAERO COC(=O)[C@](C)(CCC[N@@H+]1C[C@H](C)[C@H](C)C1)NC(C)C ZINC000092087580 180321591 /nfs/dbraw/zinc/32/15/91/180321591.db2.gz SNNKTLXWCRLUGN-LZWOXQAQSA-N 1 0 284.444 2.284 10 0 CEAERO C[NH2+][C@H](CN1C(=O)[C@H](C)[C@H](C)C1=O)c1ccc(C)c(C)c1 ZINC000092094255 180323238 /nfs/dbraw/zinc/32/32/38/180323238.db2.gz CLDOUHWVWXSBEG-VNHYZAJKSA-N 1 0 288.391 2.205 10 0 CEAERO CC(C)N(Cc1ccccc1)C(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092201423 180342850 /nfs/dbraw/zinc/34/28/50/180342850.db2.gz BSDPRRGWEQOOPW-LSDHHAIUSA-N 1 0 258.365 2.327 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)N[C@@H]2CCSc3ccccc32)C1 ZINC000092202306 180342960 /nfs/dbraw/zinc/34/29/60/180342960.db2.gz RDUBGJBJVSQYCD-DMDPSCGWSA-N 1 0 274.389 2.243 10 0 CEAERO COc1cc(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)c(OC)cc1Cl ZINC000092201223 180342975 /nfs/dbraw/zinc/34/29/75/180342975.db2.gz PLZCDLWCTHOUON-DTWKUNHWSA-N 1 0 296.754 2.199 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2cccc3c(O)cccc23)C1 ZINC000092203540 180343365 /nfs/dbraw/zinc/34/33/65/180343365.db2.gz DIXAXDFYALQBNQ-GHMZBOCLSA-N 1 0 268.316 2.387 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)Nc2ccc(Cl)c(F)c2)C1 ZINC000092203346 180343541 /nfs/dbraw/zinc/34/35/41/180343541.db2.gz YAALPOHAMSADEY-SFYZADRCSA-N 1 0 254.692 2.321 10 0 CEAERO CN(C)c1ccc(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)cc1Cl ZINC000092204255 180343597 /nfs/dbraw/zinc/34/35/97/180343597.db2.gz NECWFJCCVXMTHJ-VHSXEESVSA-N 1 0 279.771 2.248 10 0 CEAERO COc1ccc(CN(C(=O)[C@@H]2C=C[C@H]([NH3+])C2)C2CC2)cc1 ZINC000092204600 180343669 /nfs/dbraw/zinc/34/36/69/180343669.db2.gz GBJDMRHDDKSYNT-KGLIPLIRSA-N 1 0 286.375 2.090 10 0 CEAERO C[C@H](CCc1ccccc1)NC(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092206810 180344089 /nfs/dbraw/zinc/34/40/89/180344089.db2.gz PTHFDFKAZLUKNX-VHDGCEQUSA-N 1 0 258.365 2.027 10 0 CEAERO CC(C)c1ccc(CNC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)cc1 ZINC000092207110 180344258 /nfs/dbraw/zinc/34/42/58/180344258.db2.gz WBTBODZOYMOVOU-HUUCEWRRSA-N 1 0 258.365 2.330 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)s1 ZINC000092206922 180344315 /nfs/dbraw/zinc/34/43/15/180344315.db2.gz QBFOEROHYFFPLR-GARJFASQSA-N 1 0 250.367 2.137 10 0 CEAERO Cc1cccc(Cl)c1NC(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092208658 180344919 /nfs/dbraw/zinc/34/49/19/180344919.db2.gz BJMQMLBHLKYFRR-VHSXEESVSA-N 1 0 250.729 2.490 10 0 CEAERO CC(C)C[C@H]1CN(C[C@@H]2COc3ccccc32)CC[NH2+]1 ZINC000092307228 180360162 /nfs/dbraw/zinc/36/01/62/180360162.db2.gz FJGWYKAMJYGCJK-CABCVRRESA-N 1 0 274.408 2.483 10 0 CEAERO C[NH2+]CCc1noc([C@H]2Cc3ccccc3S2)n1 ZINC000092234115 180349397 /nfs/dbraw/zinc/34/93/97/180349397.db2.gz JDSAWYBOASJFNG-LLVKDONJSA-N 1 0 261.350 2.221 10 0 CEAERO C[C@H]([NH2+]C[C@H]1Cc2ccccc2S1)c1nncn1C ZINC000092243855 180351360 /nfs/dbraw/zinc/35/13/60/180351360.db2.gz NXCFQBVRJCDJDW-CMPLNLGQSA-N 1 0 274.393 2.183 10 0 CEAERO c1cn(CC[NH2+]C[C@@H]2Cc3ccccc3S2)cn1 ZINC000092243080 180351816 /nfs/dbraw/zinc/35/18/16/180351816.db2.gz BCMBWGIJWBDVSE-ZDUSSCGKSA-N 1 0 259.378 2.190 10 0 CEAERO C[NH2+]Cc1cnn(C[C@H]2COc3ccccc32)c1C ZINC000092306675 180360370 /nfs/dbraw/zinc/36/03/70/180360370.db2.gz LGQSQGYYLRRANF-ZDUSSCGKSA-N 1 0 257.337 2.087 10 0 CEAERO CC(C)C1(O)C[NH+](C[C@@H]2Cc3ccccc3S2)C1 ZINC000092270281 180356045 /nfs/dbraw/zinc/35/60/45/180356045.db2.gz FWKMIPUOUUJBNN-ZDUSSCGKSA-N 1 0 263.406 2.406 10 0 CEAERO CC[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccccc1 ZINC000105872412 186081485 /nfs/dbraw/zinc/08/14/85/186081485.db2.gz DKXYIHDWPLYKDV-ZIAGYGMSSA-N 1 0 256.353 2.334 10 0 CEAERO CCC[N@@H+](CC(N)=S)C[C@@H]1COc2ccccc21 ZINC000092301773 180359497 /nfs/dbraw/zinc/35/94/97/180359497.db2.gz CIMYNAPRDVPCSC-LLVKDONJSA-N 1 0 264.394 2.161 10 0 CEAERO CCN(C[C@@H]1COc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000092304476 180359528 /nfs/dbraw/zinc/35/95/28/180359528.db2.gz VZDNBVGWDLESLQ-ZIAGYGMSSA-N 1 0 260.381 2.237 10 0 CEAERO CCOC(=O)CCC[NH2+]C[C@@H]1COc2ccccc21 ZINC000092301214 180359563 /nfs/dbraw/zinc/35/95/63/180359563.db2.gz XPIMDAKRESQVBP-GFCCVEGCSA-N 1 0 263.337 2.096 10 0 CEAERO C[C@H]([NH2+]CC1(O)CCSCC1)c1ccc2c(c1)OCO2 ZINC000151630022 539797696 /nfs/dbraw/zinc/79/76/96/539797696.db2.gz UZUNDTQSVYLBBG-NSHDSACASA-N 1 0 295.404 2.324 10 0 CEAERO C[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H](C)CC2)C[C@H]1[NH+](C)C ZINC000465221102 290263273 /nfs/dbraw/zinc/26/32/73/290263273.db2.gz CRFQLZCTGDFXER-AAVRWANBSA-N 1 0 267.417 2.157 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](c2nc(-c3cc(F)cc(F)c3)no2)C1 ZINC000092181590 180338953 /nfs/dbraw/zinc/33/89/53/180338953.db2.gz UDUUSSIYKZSTTJ-RDDDGLTNSA-N 1 0 263.247 2.386 10 0 CEAERO C[NH2+][C@H](CN1C(=O)C[C@@H](C)C1=O)c1ccc(C(C)C)cc1 ZINC000105832495 186076040 /nfs/dbraw/zinc/07/60/40/186076040.db2.gz IMQLLOJZMDSGGS-IUODEOHRSA-N 1 0 288.391 2.466 10 0 CEAERO CCOCC[N@@H+]1CCC[C@@H](n2ccnc2CC)C1 ZINC000105922665 186090637 /nfs/dbraw/zinc/09/06/37/186090637.db2.gz BNQLFZBWGQLXET-CYBMUJFWSA-N 1 0 251.374 2.119 10 0 CEAERO CCOCc1nc(CC)c(CC[NH2+]C2CC2)c(CC)n1 ZINC000092318910 180361818 /nfs/dbraw/zinc/36/18/18/180361818.db2.gz DDVRIKWTRLMMIO-UHFFFAOYSA-N 1 0 277.412 2.432 10 0 CEAERO CCc1nn(-c2nc(C)cc(C)n2)c(CC)c1CC[NH2+]C ZINC000092320490 180361876 /nfs/dbraw/zinc/36/18/76/180361876.db2.gz ILCSUFZYNQTUHY-UHFFFAOYSA-N 1 0 287.411 2.166 10 0 CEAERO COc1ccc(-n2nc(C)c(C[C@H](C)[NH3+])c2C)cc1 ZINC000092320072 180361952 /nfs/dbraw/zinc/36/19/52/180361952.db2.gz PWUDJXYWHFYIRG-JTQLQIEISA-N 1 0 259.353 2.387 10 0 CEAERO CCOC(C[NH2+]CCOc1ccccc1)OCC ZINC000105921476 186091513 /nfs/dbraw/zinc/09/15/13/186091513.db2.gz UGUCFJVZPNTBJV-UHFFFAOYSA-N 1 0 253.342 2.054 10 0 CEAERO Cc1nn(-c2ncccn2)c(C)c1[C@H](C)C[NH2+]C(C)C ZINC000092321499 180362406 /nfs/dbraw/zinc/36/24/06/180362406.db2.gz XCCYOCKEQFUAEC-LLVKDONJSA-N 1 0 273.384 2.381 10 0 CEAERO CCN1CCC[C@H]1C[NH2+]CCc1ccc(OC)cc1 ZINC000105935703 186093924 /nfs/dbraw/zinc/09/39/24/186093924.db2.gz YKDOOEUPNZBDRN-HNNXBMFYSA-N 1 0 262.397 2.312 10 0 CEAERO Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1CCN(C(C)C)C1 ZINC000092326442 180363119 /nfs/dbraw/zinc/36/31/19/180363119.db2.gz RHLZLNMNRAKOGX-GXFFZTMASA-N 1 0 251.374 2.425 10 0 CEAERO Cc1noc(C)c1[C@@H](C)NC(=O)C(C)(C)C(C)(C)[NH3+] ZINC000092329869 180363860 /nfs/dbraw/zinc/36/38/60/180363860.db2.gz JQMRBMBZMMCSGW-MRVPVSSYSA-N 1 0 267.373 2.232 10 0 CEAERO Cc1noc(C)c1C[NH2+]Cc1c[nH]c2ncccc12 ZINC000092328700 180364048 /nfs/dbraw/zinc/36/40/48/180364048.db2.gz XYVSXINGQQZHCT-UHFFFAOYSA-N 1 0 256.309 2.458 10 0 CEAERO Cc1nn(C)c(C)c1CNCC[C@H]1CCCC[N@@H+]1C ZINC000092330931 180364614 /nfs/dbraw/zinc/36/46/14/180364614.db2.gz LUTRBXXWBABSCF-CQSZACIVSA-N 1 0 264.417 2.001 10 0 CEAERO Cc1noc(C)c1[C@H](C)NC(=[NH2+])NC1CCCC1 ZINC000092339444 180365152 /nfs/dbraw/zinc/36/51/52/180365152.db2.gz XJUPEPCNBZOHKD-QMMMGPOBSA-N 1 0 250.346 2.409 10 0 CEAERO CC(C)(C)[NH2+]CC(=O)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000106110226 186103026 /nfs/dbraw/zinc/10/30/26/186103026.db2.gz PXFCYNWJCYINQR-CHWSQXEVSA-N 1 0 252.402 2.413 10 0 CEAERO CCNc1cccc(CN2CC[NH+]([C@H](C)CC)CC2)n1 ZINC000092370238 180369647 /nfs/dbraw/zinc/36/96/47/180369647.db2.gz PWCDJVIGWDJWCP-CQSZACIVSA-N 1 0 276.428 2.430 10 0 CEAERO CNc1cccc(C[N@H+](CCO)C2CCCCC2)n1 ZINC000092369305 180369998 /nfs/dbraw/zinc/36/99/98/180369998.db2.gz JJASKFCZKWSFFY-UHFFFAOYSA-N 1 0 263.385 2.250 10 0 CEAERO CC(C)[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106428761 186116369 /nfs/dbraw/zinc/11/63/69/186116369.db2.gz LCPUVGZKRYMKMR-UKRRQHHQSA-N 1 0 262.397 2.320 10 0 CEAERO C[NH2+][C@H]1c2cc(OC)ccc2CC[C@@H]1S(=O)(=O)C(C)C ZINC000092388704 180374510 /nfs/dbraw/zinc/37/45/10/180374510.db2.gz XEEXHRGGUTZNMI-GJZGRUSLSA-N 1 0 297.420 2.094 10 0 CEAERO CCC[S@@](=O)[C@@H]1CCc2ccc(OC)cc2[C@@H]1[NH2+]C ZINC000092388861 180374818 /nfs/dbraw/zinc/37/48/18/180374818.db2.gz JBZQSHFCMCMMCX-VCBZYWHSSA-N 1 0 281.421 2.429 10 0 CEAERO CC[NH2+][C@@H]1c2cc(OC)ccc2CC[C@H]1SCCO ZINC000092389477 180375141 /nfs/dbraw/zinc/37/51/41/180375141.db2.gz DGOUTAWUAXSPAC-HUUCEWRRSA-N 1 0 281.421 2.386 10 0 CEAERO CCOC(=O)CCCNC1=[NH+][C@@H](C(C)C)CS1 ZINC000092402768 180378053 /nfs/dbraw/zinc/37/80/53/180378053.db2.gz DFRRQEWKRCFOLZ-SNVBAGLBSA-N 1 0 258.387 2.047 10 0 CEAERO CC[C@@H]1CN(Cc2cc(Cl)ccn2)CC[N@@H+]1C ZINC000092416772 180380709 /nfs/dbraw/zinc/38/07/09/180380709.db2.gz QQWQNWXAUXHXHY-CYBMUJFWSA-N 1 0 253.777 2.261 10 0 CEAERO CCn1c(C)[nH+]c(-c2cc(OC)cc(OC)c2)c1N ZINC000106831070 186137929 /nfs/dbraw/zinc/13/79/29/186137929.db2.gz ZTEPDZUMSZEDNK-UHFFFAOYSA-N 1 0 261.325 2.478 10 0 CEAERO CC[C@H](C)[NH2+][C@]1(C(N)=O)CCCc2ccc(OC)cc21 ZINC000092384980 180373655 /nfs/dbraw/zinc/37/36/55/180373655.db2.gz SGECSRPUEOOLJS-MEDUHNTESA-N 1 0 276.380 2.100 10 0 CEAERO CCN(CCOC)[C@H]1CCc2ccc(OC)cc2[C@@H]1[NH2+]C ZINC000092385736 180373995 /nfs/dbraw/zinc/37/39/95/180373995.db2.gz FJTSDRDVDVQVCG-IRXDYDNUSA-N 1 0 292.423 2.239 10 0 CEAERO CC[NH2+][C@H]1c2cc(OC)ccc2CC[C@@H]1n1cncn1 ZINC000092386013 180374058 /nfs/dbraw/zinc/37/40/58/180374058.db2.gz HBDKNCLRJNAEAU-GJZGRUSLSA-N 1 0 272.352 2.125 10 0 CEAERO COc1ccc(NC(=O)CCC[NH3+])cc1C(C)C ZINC000107294659 186167890 /nfs/dbraw/zinc/16/78/90/186167890.db2.gz VZCIZFIGLFHVDY-UHFFFAOYSA-N 1 0 250.342 2.496 10 0 CEAERO COCC[NH2+]CC(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000092495317 180396644 /nfs/dbraw/zinc/39/66/44/180396644.db2.gz HUVGSXFBVBLHLI-CYBMUJFWSA-N 1 0 292.423 2.397 10 0 CEAERO CN(C[C@H]1CCC[N@@H+]1C)c1ccc2scnc2c1N ZINC000092623724 180416910 /nfs/dbraw/zinc/41/69/10/180416910.db2.gz WDRGYCVKMJVSDH-SNVBAGLBSA-N 1 0 276.409 2.409 10 0 CEAERO CC(C)C[N@@H+](CC(N)=O)C[C@@H]1Cc2ccccc2S1 ZINC000092662229 180426097 /nfs/dbraw/zinc/42/60/97/180426097.db2.gz FRICPKUUZUKYSE-ZDUSSCGKSA-N 1 0 278.421 2.147 10 0 CEAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCS1 ZINC000130689780 365979848 /nfs/dbraw/zinc/97/98/48/365979848.db2.gz RYCCZWMTJGADGB-LSDHHAIUSA-N 1 0 292.448 2.171 10 0 CEAERO CC[NH2+][C@H](Cc1nc(-c2ccncc2)no1)C1CC1 ZINC000109498578 186256260 /nfs/dbraw/zinc/25/62/60/186256260.db2.gz SVWUVLCRBHRCAX-GFCCVEGCSA-N 1 0 258.325 2.062 10 0 CEAERO CC[NH2+][C@@H]1CCCC[C@@H]1c1nc(-c2ncccn2)no1 ZINC000109505484 186257210 /nfs/dbraw/zinc/25/72/10/186257210.db2.gz WKUMDIPRBDAABG-WDEREUQCSA-N 1 0 273.340 2.162 10 0 CEAERO C[NH2+][C@@H](C)CCc1nc(Cc2ccc(F)cc2)no1 ZINC000109501538 186257322 /nfs/dbraw/zinc/25/73/22/186257322.db2.gz AWTJCPOFARUKRQ-JTQLQIEISA-N 1 0 263.316 2.340 10 0 CEAERO COC[C@H]([NH3+])Cc1nc(-c2ccc(F)cc2Cl)no1 ZINC000109514450 186257947 /nfs/dbraw/zinc/25/79/47/186257947.db2.gz CWSXBRBWRWJRHJ-MRVPVSSYSA-N 1 0 285.706 2.045 10 0 CEAERO Cc1nc(Cc2noc([C@@H]3CCC[C@@H]3[NH3+])n2)cs1 ZINC000109511353 186258177 /nfs/dbraw/zinc/25/81/77/186258177.db2.gz SVVOIWCYUIAVTR-ZJUUUORDSA-N 1 0 264.354 2.020 10 0 CEAERO CC(C)[C@H]([NH3+])Cc1nc(Cc2cccs2)no1 ZINC000109510234 186258186 /nfs/dbraw/zinc/25/81/86/186258186.db2.gz MVLYEIMUOGYOPL-SNVBAGLBSA-N 1 0 251.355 2.248 10 0 CEAERO C[NH2+][C@H](C)[C@@H](C)c1nc(Cc2nc(C)cs2)no1 ZINC000109511158 186258670 /nfs/dbraw/zinc/25/86/70/186258670.db2.gz BBZUQBXABAIKJD-RKDXNWHRSA-N 1 0 266.370 2.137 10 0 CEAERO C[NH2+][C@@H](C)CCc1nc(Cc2ccc(OC)cc2)no1 ZINC000109520874 186259144 /nfs/dbraw/zinc/25/91/44/186259144.db2.gz NXLGNGYUUFMUBP-NSHDSACASA-N 1 0 275.352 2.210 10 0 CEAERO CCC[NH2+][C@@H](C)CCc1nc(CC(F)(F)F)no1 ZINC000109517384 186259392 /nfs/dbraw/zinc/25/93/92/186259392.db2.gz VPMDAXZJGWMTDB-QMMMGPOBSA-N 1 0 265.279 2.495 10 0 CEAERO [NH3+]Cc1ccc(CNC(=O)c2ccccc2F)c(F)c1 ZINC000109540205 186260856 /nfs/dbraw/zinc/26/08/56/186260856.db2.gz JEZHOKQIJBZAOV-UHFFFAOYSA-N 1 0 276.286 2.354 10 0 CEAERO Clc1cc(C[NH2+][C@H]2CCCOC2)cc2c1OCO2 ZINC000109544516 186262002 /nfs/dbraw/zinc/26/20/02/186262002.db2.gz UYPGKXHKSQPAPM-JTQLQIEISA-N 1 0 269.728 2.337 10 0 CEAERO C[NH2+][C@@H](C)c1cccc(NC(=O)N[C@H]2CCCOC2)c1 ZINC000109552740 186262534 /nfs/dbraw/zinc/26/25/34/186262534.db2.gz ZTWBMBQGWRKLPS-FZMZJTMJSA-N 1 0 277.368 2.268 10 0 CEAERO CC[C@H]1CCN(Cc2ccc(OC)cc2OC)CC[NH2+]1 ZINC000109555017 186262966 /nfs/dbraw/zinc/26/29/66/186262966.db2.gz YULANXIKPJDANA-AWEZNQCLSA-N 1 0 278.396 2.278 10 0 CEAERO CC[NH2+][C@H]1C(=O)Nc2cc(-n3nc(C)cc3C)ccc21 ZINC000109572825 186263792 /nfs/dbraw/zinc/26/37/92/186263792.db2.gz TXHMRXOEAKQJHX-CQSZACIVSA-N 1 0 270.336 2.092 10 0 CEAERO CC[NH2+][C@@H]1C(=O)Nc2cc(OCc3ccco3)ccc21 ZINC000109573569 186263974 /nfs/dbraw/zinc/26/39/74/186263974.db2.gz RKHKCRMUBLPMRW-AWEZNQCLSA-N 1 0 272.304 2.461 10 0 CEAERO [NH3+]Cc1cc(-n2nnc3ccccc32)c2ccccc2n1 ZINC000109589749 186264762 /nfs/dbraw/zinc/26/47/62/186264762.db2.gz ZPVSGLLRVFDTPW-UHFFFAOYSA-N 1 0 275.315 2.427 10 0 CEAERO CCOC(=O)CN(C(C)C)[C@@H]1C[C@@H](CC)CC[C@@H]1C[NH3+] ZINC000109685048 186269086 /nfs/dbraw/zinc/26/90/86/186269086.db2.gz FFCYTEFXAZNYMS-RRFJBIMHSA-N 1 0 284.444 2.414 10 0 CEAERO CCc1ccc([C@H](C)[NH2+]CCc2nncn2C)cc1 ZINC000109420751 186251508 /nfs/dbraw/zinc/25/15/08/186251508.db2.gz QGGIZPQBZINXPA-LBPRGKRZSA-N 1 0 258.369 2.271 10 0 CEAERO CC[C@@H]([NH2+]CCc1nncn1C)c1ccc(C)cc1 ZINC000109421318 186251555 /nfs/dbraw/zinc/25/15/55/186251555.db2.gz BLDKKAQTNLQOCI-CQSZACIVSA-N 1 0 258.369 2.407 10 0 CEAERO CC(C)C[NH+]1CCN(Cc2c(N)cccc2F)CC1 ZINC000109427836 186251745 /nfs/dbraw/zinc/25/17/45/186251745.db2.gz AQGXBAFWLPOTKH-UHFFFAOYSA-N 1 0 265.376 2.182 10 0 CEAERO CCC[C@H]1CCc2nc(CN3CC[NH2+]CC3)sc2C1 ZINC000109432325 186252234 /nfs/dbraw/zinc/25/22/34/186252234.db2.gz NLMGLXGMUCGVAZ-LBPRGKRZSA-N 1 0 279.453 2.453 10 0 CEAERO CC(C)N(Cc1cccs1)[C@@]1(C[NH3+])CCOC1 ZINC000109431698 186252475 /nfs/dbraw/zinc/25/24/75/186252475.db2.gz YJEBZQDLOXOPSD-CYBMUJFWSA-N 1 0 254.399 2.076 10 0 CEAERO C[C@H](c1nc2c(s1)C[C@H](C)CC2)N1CC[NH2+]CC1 ZINC000109472165 186255194 /nfs/dbraw/zinc/25/51/94/186255194.db2.gz MWTFEEGPXWEDHN-GHMZBOCLSA-N 1 0 265.426 2.234 10 0 CEAERO CCC[C@@H](C)CN1CC[NH+]([C@H](CCC)C(N)=S)CC1 ZINC000109470180 186255337 /nfs/dbraw/zinc/25/53/37/186255337.db2.gz OGVBGBDRHLMJMA-ZIAGYGMSSA-N 1 0 285.501 2.495 10 0 CEAERO CC[NH+](CC)[C@@H]1CCN(C(=O)C(CC)(CC)C(N)=S)C1 ZINC000110272606 186289588 /nfs/dbraw/zinc/28/95/88/186289588.db2.gz FPMJFDHLTXWIMI-GFCCVEGCSA-N 1 0 299.484 2.022 10 0 CEAERO CC[C@H](c1nc(Cc2cccnc2)no1)[C@@H](C)[NH2+]C ZINC000110461317 186297405 /nfs/dbraw/zinc/29/74/05/186297405.db2.gz UPLQMSKDSWAHQF-PWSUYJOCSA-N 1 0 260.341 2.157 10 0 CEAERO Cc1cccc(-c2nc(C)c(CCC[NH3+])c(C)n2)n1 ZINC000110475839 186297749 /nfs/dbraw/zinc/29/77/49/186297749.db2.gz ZWKCNUVIBYRNHM-UHFFFAOYSA-N 1 0 256.353 2.355 10 0 CEAERO CCC(=O)[C@@H](C)c1nc(CC[NH+](CC)CC)no1 ZINC000110468695 186298144 /nfs/dbraw/zinc/29/81/44/186298144.db2.gz JHBVTMXYPBNCDV-SNVBAGLBSA-N 1 0 253.346 2.037 10 0 CEAERO CCc1nc(Cc2cccc(F)c2)[nH+]c(NN)c1C ZINC000110468538 186298458 /nfs/dbraw/zinc/29/84/58/186298458.db2.gz VELQXQOPIGFRTN-UHFFFAOYSA-N 1 0 260.316 2.363 10 0 CEAERO Cc1cccc(-c2noc([C@]3(C)CCC[NH2+]C3)n2)n1 ZINC000110473348 186298540 /nfs/dbraw/zinc/29/85/40/186298540.db2.gz UZYGZZPDAXPGDZ-CQSZACIVSA-N 1 0 258.325 2.081 10 0 CEAERO Cc1ccccc1NC(=O)CN1[C@H](C)CCC[C@@H]1C[NH3+] ZINC000110480815 186299389 /nfs/dbraw/zinc/29/93/89/186299389.db2.gz FRBOGOBNNVWIKI-ZIAGYGMSSA-N 1 0 275.396 2.135 10 0 CEAERO CCC[C@@]1(C(=O)Nc2nc3ccccc3[nH]2)CC[NH2+]C1 ZINC000110538163 186302134 /nfs/dbraw/zinc/30/21/34/186302134.db2.gz KIIKVLSRBDBNGO-OAHLLOKOSA-N 1 0 272.352 2.281 10 0 CEAERO CC1CCC(C[NH2+]C2CC2)(O[C@@H]2CCOC2)CC1 ZINC000110530332 186302140 /nfs/dbraw/zinc/30/21/40/186302140.db2.gz UDBYRHXJCSCZEY-HNFVBEJKSA-N 1 0 253.386 2.493 10 0 CEAERO CC[C@](C)([NH3+])c1noc([C@H]2COc3ccccc3C2)n1 ZINC000110540944 186302686 /nfs/dbraw/zinc/30/26/86/186302686.db2.gz HBNRGKCNIZHZIE-ABAIWWIYSA-N 1 0 273.336 2.372 10 0 CEAERO C[C@@H]([NH2+]CCN(C)C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000110550907 186303028 /nfs/dbraw/zinc/30/30/28/186303028.db2.gz RMLIKVCSPZROHA-KGLIPLIRSA-N 1 0 299.459 2.173 10 0 CEAERO COc1ccc(C)cc1C[C@@](C)(O)[C@@H]1CCC[NH2+]C1 ZINC000110552005 186303170 /nfs/dbraw/zinc/30/31/70/186303170.db2.gz VRNNXEBTPJAZEE-GDBMZVCRSA-N 1 0 263.381 2.297 10 0 CEAERO [NH3+]Cc1ccc(CC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000110611927 186305092 /nfs/dbraw/zinc/30/50/92/186305092.db2.gz QUAWBGQSVKICQY-UHFFFAOYSA-N 1 0 284.315 2.055 10 0 CEAERO CCC(CC)N(CCOC)C(=O)Cc1ccc(C[NH3+])cc1 ZINC000110613174 186305333 /nfs/dbraw/zinc/30/53/33/186305333.db2.gz XUPVWZHAOLWOOE-UHFFFAOYSA-N 1 0 292.423 2.351 10 0 CEAERO [NH3+]Cc1ccc(CC(=O)N[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000110613502 186305528 /nfs/dbraw/zinc/30/55/28/186305528.db2.gz HZTJSIOWRQXLJJ-DLBZAZTESA-N 1 0 280.371 2.360 10 0 CEAERO CN(C(=O)Cc1ccc(C[NH3+])cc1)c1ccc(F)cc1 ZINC000110613760 186305736 /nfs/dbraw/zinc/30/57/36/186305736.db2.gz FHLQEGDOTXGFJW-UHFFFAOYSA-N 1 0 272.323 2.490 10 0 CEAERO C[C@@H]1C[C@H](C)CN(C(=O)Cc2ccc(C[NH3+])cc2)C1 ZINC000110611735 186306024 /nfs/dbraw/zinc/30/60/24/186306024.db2.gz MNQDELQSGIHKLN-BETUJISGSA-N 1 0 260.381 2.192 10 0 CEAERO COc1cc2c(cc1F)[nH+]c(N)n2[C@H]1CCCC[C@@H]1O ZINC000110630109 186307163 /nfs/dbraw/zinc/30/71/63/186307163.db2.gz OZTGHTJSKGNJFQ-JQWIXIFHSA-N 1 0 279.315 2.242 10 0 CEAERO CCOc1cc(NC[C@@H](C)[NH+](C)C)c(N)cc1F ZINC000110634279 186307365 /nfs/dbraw/zinc/30/73/65/186307365.db2.gz DICPJGKVWZNOCQ-SECBINFHSA-N 1 0 255.337 2.169 10 0 CEAERO CCOc1cc(N2CC[C@@H]([NH+]3CCCC3)C2)c(N)cc1F ZINC000110634716 186307947 /nfs/dbraw/zinc/30/79/47/186307947.db2.gz RDUDOBFALQBDBY-GFCCVEGCSA-N 1 0 293.386 2.481 10 0 CEAERO COc1cc2c(cc1F)[nH+]c(N)n2Cc1cc(C)no1 ZINC000110629994 186308103 /nfs/dbraw/zinc/30/81/03/186308103.db2.gz KTMBWQZFAHMQPT-UHFFFAOYSA-N 1 0 276.271 2.111 10 0 CEAERO C[C@@H]([NH3+])C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000110648351 186309394 /nfs/dbraw/zinc/30/93/94/186309394.db2.gz HHFTXDZZAJFYOD-CNELAYHGSA-N 1 0 294.420 2.046 10 0 CEAERO C[C@@H]([NH3+])C1CCN(Cc2noc(-c3ccsc3)n2)CC1 ZINC000110649316 186309726 /nfs/dbraw/zinc/30/97/26/186309726.db2.gz ZIHXLHKNBKNZIC-SNVBAGLBSA-N 1 0 292.408 2.357 10 0 CEAERO C[C@@H](C[NH2+]C[C@@H]1CCCO1)N1CCC[C@@H](C)CC1 ZINC000110813657 186326234 /nfs/dbraw/zinc/32/62/34/186326234.db2.gz DGVJCANVBGXDFE-ILXRZTDVSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@H]([NH3+])[C@@H](O)c1ccc(OC)c(OC)c1Cl ZINC000110827608 186327782 /nfs/dbraw/zinc/32/77/82/186327782.db2.gz XNGODKKXEKYHOM-KWQFWETISA-N 1 0 259.733 2.128 10 0 CEAERO C[C@H]1CC[C@H](C(=O)N(C)CC2CCCC2)C[C@@H]1[NH3+] ZINC000110848158 186329712 /nfs/dbraw/zinc/32/97/12/186329712.db2.gz AVGWIZZIXUHSCD-UBHSHLNASA-N 1 0 252.402 2.399 10 0 CEAERO CN(C(=O)c1ccc2ccccc2n1)[C@@H]1CCC[NH2+]C1 ZINC000110927376 186333409 /nfs/dbraw/zinc/33/34/09/186333409.db2.gz SSSAAHOCFYUZAE-CYBMUJFWSA-N 1 0 269.348 2.059 10 0 CEAERO c1ccc(-c2nn[nH]c2C[NH2+]CC[C@@H]2CCCO2)cc1 ZINC000110925034 186333870 /nfs/dbraw/zinc/33/38/70/186333870.db2.gz WGGRAEFFHCEIBB-ZDUSSCGKSA-N 1 0 272.352 2.130 10 0 CEAERO CCCN([C@@H]1COc2cc(O)ccc21)[C@@H]1CCC[NH2+]C1 ZINC000110938036 186334967 /nfs/dbraw/zinc/33/49/67/186334967.db2.gz KTZSXMNWIQPYCZ-IUODEOHRSA-N 1 0 276.380 2.290 10 0 CEAERO CCCN(Cc1nc(C)c(C)o1)[C@H]1CCC[NH2+]C1 ZINC000110945330 186335408 /nfs/dbraw/zinc/33/54/08/186335408.db2.gz UZGVHVKRAIDBMU-ZDUSSCGKSA-N 1 0 251.374 2.255 10 0 CEAERO CCN(Cc1nc2ccccc2o1)[C@H]1CCC[NH2+]C1 ZINC000110944693 186335613 /nfs/dbraw/zinc/33/56/13/186335613.db2.gz OARHBRKAIHKYDU-LBPRGKRZSA-N 1 0 259.353 2.402 10 0 CEAERO CCN(Cc1noc(-c2ccsc2)n1)[C@@H]1CCC[NH2+]C1 ZINC000110944824 186335969 /nfs/dbraw/zinc/33/59/69/186335969.db2.gz QLJZYEVEHNERDJ-GFCCVEGCSA-N 1 0 292.408 2.372 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(C)cc1O[C@H]1CCS(=O)(=O)C1 ZINC000110960687 186336472 /nfs/dbraw/zinc/33/64/72/186336472.db2.gz RCQVJSKREYXBJC-STQMWFEESA-N 1 0 297.420 2.231 10 0 CEAERO Cc1ccc([C@@H](C)[NH3+])c(O[C@H]2CCCCNC2=O)c1 ZINC000110958485 186336722 /nfs/dbraw/zinc/33/67/22/186336722.db2.gz QVJPDCNSXZYJES-YPMHNXCESA-N 1 0 262.353 2.062 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(C)cc1O[C@H](C)C(=O)NC1CC1 ZINC000110959586 186336870 /nfs/dbraw/zinc/33/68/70/186336870.db2.gz QEBRMDRPAMAKPK-NWDGAFQWSA-N 1 0 276.380 2.321 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(C)cc1O[C@@H]1CCS(=O)(=O)C1 ZINC000110960681 186336923 /nfs/dbraw/zinc/33/69/23/186336923.db2.gz RCQVJSKREYXBJC-QWHCGFSZSA-N 1 0 297.420 2.231 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1c1nc(Cc2nc3ccccc3[nH]2)no1 ZINC000110951448 186336955 /nfs/dbraw/zinc/33/69/55/186336955.db2.gz LQBGRWGZQPLEFF-ZJUUUORDSA-N 1 0 283.335 2.132 10 0 CEAERO Cc1ccc([C@@H](C[NH3+])N2CCOC(C)(C)C2)cc1F ZINC000110977161 186338762 /nfs/dbraw/zinc/33/87/62/186338762.db2.gz GMNFDPSFKMMZTC-CQSZACIVSA-N 1 0 266.360 2.245 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1sccc1C)N1CCNC(=O)[C@@H]1CC ZINC000110677575 186312370 /nfs/dbraw/zinc/31/23/70/186312370.db2.gz SZDRPNOHKWOGPY-FRRDWIJNSA-N 1 0 295.452 2.045 10 0 CEAERO CC[C@H]1CN(C(=O)Nc2ccc([C@@H](C)O)cc2)CC[N@@H+]1C ZINC000110694692 186312802 /nfs/dbraw/zinc/31/28/02/186312802.db2.gz FXDDXKCMVMIJRQ-DOMZBBRYSA-N 1 0 291.395 2.298 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccc(Cl)s1)N1CCN(C)[C@@H](C)C1 ZINC000110702003 186314234 /nfs/dbraw/zinc/31/42/34/186314234.db2.gz CZFAZBHBTYAPJB-OPQQBVKSSA-N 1 0 287.860 2.426 10 0 CEAERO CCN1CC[N@@H+]([C@@H](CC(N)=S)c2ccccc2)C[C@@H]1C ZINC000110719825 186315841 /nfs/dbraw/zinc/31/58/41/186315841.db2.gz PEXFLXPNJUMWHI-ZFWWWQNUSA-N 1 0 291.464 2.430 10 0 CEAERO CC[C@H]1CN(CC(=O)c2ccc3c(c2)CCC3)CC[N@@H+]1C ZINC000110729089 186317714 /nfs/dbraw/zinc/31/77/14/186317714.db2.gz ICPHYRXHKORQNK-KRWDZBQOSA-N 1 0 286.419 2.384 10 0 CEAERO CC[C@H]1CN(C(=O)Cc2c[nH]c3ccccc23)CC[N@@H+]1C ZINC000110767516 186323482 /nfs/dbraw/zinc/32/34/82/186323482.db2.gz AZSPMSXVYQVJTK-AWEZNQCLSA-N 1 0 285.391 2.263 10 0 CEAERO CCOC(CC[N@H+](CCOC)CC(C)C)OCC ZINC000110785259 186324583 /nfs/dbraw/zinc/32/45/83/186324583.db2.gz FNCXNOSAPBDVPN-UHFFFAOYSA-N 1 0 261.406 2.380 10 0 CEAERO CCOC(CCN1CC[C@@H]([NH+]2CCCCC2)C1)OCC ZINC000110786078 186324607 /nfs/dbraw/zinc/32/46/07/186324607.db2.gz MRKLSKMPXLBQIV-OAHLLOKOSA-N 1 0 284.444 2.336 10 0 CEAERO NC(=O)c1cc(F)ccc1NCc1ccc(CC[NH3+])cc1 ZINC000111027375 186345709 /nfs/dbraw/zinc/34/57/09/186345709.db2.gz NPEYEUXNOWOJMB-UHFFFAOYSA-N 1 0 287.338 2.038 10 0 CEAERO Cc1cnccc1NC(=O)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000111043640 186347649 /nfs/dbraw/zinc/34/76/49/186347649.db2.gz OFCSJPGSIFQLHA-KWCYVHTRSA-N 1 0 259.353 2.249 10 0 CEAERO CNc1ccc(C(=O)N(C)CCC[NH+](C)C)cc1C ZINC000111151960 186360540 /nfs/dbraw/zinc/36/05/40/186360540.db2.gz IBHBEXVVMFBSQK-UHFFFAOYSA-N 1 0 263.385 2.060 10 0 CEAERO CC[C@H](N)[C@@H]([N@H+](C)C[C@@H]1CCCOC1)C(C)(C)C ZINC000111154058 186360574 /nfs/dbraw/zinc/36/05/74/186360574.db2.gz CWNSYMLHTVKMGI-MELADBBJSA-N 1 0 256.434 2.497 10 0 CEAERO C[N@H+](CCc1nc2cc(N)ccc2[nH]1)C[C@H]1CCCOC1 ZINC000111154008 186361253 /nfs/dbraw/zinc/36/12/53/186361253.db2.gz CNQFGOWHLZOGAI-GFCCVEGCSA-N 1 0 288.395 2.046 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1ccco1)N(C)CC1CCOCC1 ZINC000111156430 186362058 /nfs/dbraw/zinc/36/20/58/186362058.db2.gz PMUKFHRLHKZBNX-FZMZJTMJSA-N 1 0 252.358 2.026 10 0 CEAERO CCOc1cccc([C@@H](C[NH3+])N(C)C[C@@H]2CCCOC2)c1 ZINC000111157585 186362341 /nfs/dbraw/zinc/36/23/41/186362341.db2.gz ZQZRALGLAOZOMX-WMLDXEAASA-N 1 0 292.423 2.444 10 0 CEAERO CCOc1ccccc1[C@H](N)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000111160761 186362871 /nfs/dbraw/zinc/36/28/71/186362871.db2.gz IKVDZXVJEVKEQV-GOEBONIOSA-N 1 0 292.423 2.444 10 0 CEAERO C[N@H+](C[C@@H]1CCCOC1)[C@@H](CN)C1CCCCC1 ZINC000111157570 186362885 /nfs/dbraw/zinc/36/28/85/186362885.db2.gz MOYYHNTZNOLADU-ZFWWWQNUSA-N 1 0 254.418 2.252 10 0 CEAERO C[C@@H]1CCC[C@@](CN)([N@H+](C)C[C@@H]2CCCOC2)C1 ZINC000111158740 186362892 /nfs/dbraw/zinc/36/28/92/186362892.db2.gz OWKZUWACOADUPB-QLFBSQMISA-N 1 0 254.418 2.252 10 0 CEAERO COc1cccc([C@@H](N)C[N@H+](C)C[C@@H]2CCCOC2)c1 ZINC000111160398 186363177 /nfs/dbraw/zinc/36/31/77/186363177.db2.gz SKZPVUHKJHDFIB-BBRMVZONSA-N 1 0 278.396 2.053 10 0 CEAERO CCN(C1(C[NH3+])CCCCC1)S(=O)(=O)C(C)(C)C ZINC000111071357 186351330 /nfs/dbraw/zinc/35/13/30/186351330.db2.gz DBBYNPXZLSTKFL-UHFFFAOYSA-N 1 0 276.446 2.098 10 0 CEAERO O=C(C[NH2+]C1CCCC1)NC[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000111086904 186351564 /nfs/dbraw/zinc/35/15/64/186351564.db2.gz WXNKCYFOGRUFMQ-YNEHKIRRSA-N 1 0 250.386 2.071 10 0 CEAERO CCOCC[N@H+](CC)[C@H](C)C(=O)Nc1ccc(F)c(N)c1 ZINC000111116690 186353650 /nfs/dbraw/zinc/35/36/50/186353650.db2.gz GUAZSWMFPNDFTD-LLVKDONJSA-N 1 0 297.374 2.093 10 0 CEAERO CCOCCN(CC)[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000111116347 186354135 /nfs/dbraw/zinc/35/41/35/186354135.db2.gz BDHJIECEVPERET-HNNXBMFYSA-N 1 0 266.385 2.053 10 0 CEAERO CCOCCN(CC)[C@@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000111117737 186355016 /nfs/dbraw/zinc/35/50/16/186355016.db2.gz JLCUOSGEMJACPI-HNNXBMFYSA-N 1 0 280.412 2.362 10 0 CEAERO CCOCCN(CC)C[C@@H]([NH3+])c1ccc(OC)c(OC)c1 ZINC000111119102 186355318 /nfs/dbraw/zinc/35/53/18/186355318.db2.gz ZXPNHQZLCRRDRO-CQSZACIVSA-N 1 0 296.411 2.062 10 0 CEAERO CCOCCN(CC)c1ncc(C[NH2+]C)cc1Cl ZINC000111123507 186355446 /nfs/dbraw/zinc/35/54/46/186355446.db2.gz SDOZCGIIEFQYKY-UHFFFAOYSA-N 1 0 271.792 2.317 10 0 CEAERO CCOCC[N@H+](CC)[C@@H]1CCc2ccccc2[C@@H]1N ZINC000111118712 186355672 /nfs/dbraw/zinc/35/56/72/186355672.db2.gz XLVPADXDVYSTPW-CVEARBPZSA-N 1 0 262.397 2.360 10 0 CEAERO CN(CCC[NH+](C)C)C(=O)c1cccc2c1CCCN2 ZINC000111139329 186357098 /nfs/dbraw/zinc/35/70/98/186357098.db2.gz FXVDULGGCUBUBS-UHFFFAOYSA-N 1 0 275.396 2.068 10 0 CEAERO C[NH2+][C@H]1c2ccccc2OC[C@H]1N(C)CC1CCOCC1 ZINC000111162280 186363447 /nfs/dbraw/zinc/36/34/47/186363447.db2.gz VRNBCQHJVRRPDP-WBVHZDCISA-N 1 0 290.407 2.067 10 0 CEAERO C[C@H](C(=O)c1ccc(F)cc1)N(C)CCC[NH+](C)C ZINC000111140025 186357680 /nfs/dbraw/zinc/35/76/80/186357680.db2.gz PCCDWNXZZJOUSY-GFCCVEGCSA-N 1 0 266.360 2.280 10 0 CEAERO CCCNc1cc(C(=O)N(C)CC[NH+](C)C)cc(Cl)n1 ZINC000111151523 186359910 /nfs/dbraw/zinc/35/99/10/186359910.db2.gz IFNXEPCWSQNGSM-UHFFFAOYSA-N 1 0 298.818 2.191 10 0 CEAERO C[C@@H]1CCC[NH2+][C@@H]1CNC(=O)[C@@H]1CCOc2ccccc21 ZINC000111186415 186367781 /nfs/dbraw/zinc/36/77/81/186367781.db2.gz MFVDWDGISTWQNB-BPLDGKMQSA-N 1 0 288.391 2.057 10 0 CEAERO C[N@@H+](Cc1ccc(C(N)=S)cc1F)C[C@H]1CCCOC1 ZINC000111163015 186364559 /nfs/dbraw/zinc/36/45/59/186364559.db2.gz YQOXFMISWSGTEA-LLVKDONJSA-N 1 0 296.411 2.318 10 0 CEAERO C[N@@H+](Cc1nc2sccc2c(N)n1)CC1CCOCC1 ZINC000111170890 186364904 /nfs/dbraw/zinc/36/49/04/186364904.db2.gz CTNRSGSUDQYHQA-UHFFFAOYSA-N 1 0 292.408 2.132 10 0 CEAERO C[C@H]([NH3+])c1cnc(N(C)C[C@@H]2CCCOC2)s1 ZINC000111177055 186365763 /nfs/dbraw/zinc/36/57/63/186365763.db2.gz GFYCHGKCHODVEO-UWVGGRQHSA-N 1 0 255.387 2.026 10 0 CEAERO C[NH2+][C@@H](Cc1ncc[nH]1)[C@@H]1CCOc2ccccc21 ZINC000111185545 186366157 /nfs/dbraw/zinc/36/61/57/186366157.db2.gz RNLPQYZALFNIJZ-YPMHNXCESA-N 1 0 257.337 2.107 10 0 CEAERO Nc1c([C@H]2CCCOC2)[nH+]c2ccc(Cl)cn12 ZINC000111319201 186395367 /nfs/dbraw/zinc/39/53/67/186395367.db2.gz PDHKAFYCPXHIHD-QMMMGPOBSA-N 1 0 251.717 2.464 10 0 CEAERO c1coc(COCCC[NH2+]C[C@H]2CCCOC2)c1 ZINC000111318013 186396469 /nfs/dbraw/zinc/39/64/69/186396469.db2.gz QATKAQLTZIKASD-CYBMUJFWSA-N 1 0 253.342 2.203 10 0 CEAERO [NH3+]C[C@H]([C@@H]1CCCOC1)N1CCC2(CCCC2)CC1 ZINC000111321272 186396891 /nfs/dbraw/zinc/39/68/91/186396891.db2.gz DNMMEBDBHHPMAL-HUUCEWRRSA-N 1 0 266.429 2.397 10 0 CEAERO [NH3+][C@H](c1nc2c(s1)CCCC2)[C@@H]1CCCOC1 ZINC000111322166 186397379 /nfs/dbraw/zinc/39/73/79/186397379.db2.gz VROQJBJWCNIYCO-SKDRFNHKSA-N 1 0 252.383 2.448 10 0 CEAERO O=C(Nc1cc(F)ccc1F)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111242935 186374397 /nfs/dbraw/zinc/37/43/97/186374397.db2.gz IHHXILZPEWJJGV-NSHDSACASA-N 1 0 294.223 2.445 10 0 CEAERO Cc1ccccc1N(C)C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111246781 186375368 /nfs/dbraw/zinc/37/53/68/186375368.db2.gz MLCNWLRXOIZCAM-ZDUSSCGKSA-N 1 0 286.297 2.500 10 0 CEAERO CC(C)N(CC1CC1)C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111246459 186375939 /nfs/dbraw/zinc/37/59/39/186375939.db2.gz OGRNIEKOCRNABU-LBPRGKRZSA-N 1 0 278.318 2.175 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1c1nc(-c2ccc(F)c(F)c2)no1 ZINC000111256462 186378816 /nfs/dbraw/zinc/37/88/16/186378816.db2.gz YTJOZLRKFAAWNA-CBAPKCEASA-N 1 0 265.263 2.338 10 0 CEAERO CSc1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2C)cc1 ZINC000111262965 186380314 /nfs/dbraw/zinc/38/03/14/186380314.db2.gz QHWHWSCOIBKTDU-CABZTGNLSA-N 1 0 250.367 2.203 10 0 CEAERO COc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@@H]2C)cc1Cl ZINC000111262844 186380580 /nfs/dbraw/zinc/38/05/80/186380580.db2.gz VWFZQTPXHTZQSE-WCBMZHEXSA-N 1 0 268.744 2.143 10 0 CEAERO CCN(CC)c1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2C)cc1 ZINC000111264950 186381141 /nfs/dbraw/zinc/38/11/41/186381141.db2.gz OPTBXMFEIPSYFX-WFASDCNBSA-N 1 0 275.396 2.327 10 0 CEAERO Cc1cc([C@@H](C)NC(=O)[C@H]2C[NH2+]C[C@@H]2C)c(C)s1 ZINC000111264379 186381291 /nfs/dbraw/zinc/38/12/91/186381291.db2.gz KZYZDJBRMAFMJX-PLMOITTCSA-N 1 0 266.410 2.398 10 0 CEAERO Cc1cc(N2CCCC2)ccc1NC(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000111265064 186381648 /nfs/dbraw/zinc/38/16/48/186381648.db2.gz KXOWISRWHAEUAQ-ZFWWWQNUSA-N 1 0 287.407 2.389 10 0 CEAERO CC(C)C(=O)Nc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000111265126 186381747 /nfs/dbraw/zinc/38/17/47/186381747.db2.gz QBIGGMLCQDZBQI-BXUZGUMPSA-N 1 0 289.379 2.075 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc(-n2cccc2)c1 ZINC000111266992 186382340 /nfs/dbraw/zinc/38/23/40/186382340.db2.gz XFPDTWQCMIPJHA-DOMZBBRYSA-N 1 0 269.348 2.271 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc(-c2cnco2)c1 ZINC000111267640 186382349 /nfs/dbraw/zinc/38/23/49/186382349.db2.gz GAGYTWVUNVXMKH-ZWNOBZJWSA-N 1 0 271.320 2.136 10 0 CEAERO CC[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1C)c1ccc(OC)cc1 ZINC000111266147 186382941 /nfs/dbraw/zinc/38/29/41/186382941.db2.gz MRFKPHOEAROXIF-CQDKDKBSSA-N 1 0 276.380 2.118 10 0 CEAERO COc1ccc([C@H]2CCCN2C(=O)[C@H]2C[NH2+]C[C@@H]2C)cc1 ZINC000111268039 186383089 /nfs/dbraw/zinc/38/30/89/186383089.db2.gz UNJKNGHVJJKEDF-VBNZEHGJSA-N 1 0 288.391 2.214 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(Cl)c(F)c1 ZINC000111266197 186383294 /nfs/dbraw/zinc/38/32/94/186383294.db2.gz RZJFJAOILVOKIL-CBAPKCEASA-N 1 0 256.708 2.273 10 0 CEAERO Cc1ccc(C)c([C@H](C)NC(=O)[C@@H]2C[NH2+]C[C@@H]2C)c1 ZINC000111266978 186383301 /nfs/dbraw/zinc/38/33/01/186383301.db2.gz HCGVFEZXTFVTIH-KCQAQPDRSA-N 1 0 260.381 2.336 10 0 CEAERO Cc1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2C)c2cccnc12 ZINC000111266929 186383361 /nfs/dbraw/zinc/38/33/61/186383361.db2.gz RPLUZVYTBOATDN-AAEUAGOBSA-N 1 0 269.348 2.337 10 0 CEAERO CC[C@H]1c2ccsc2CCN1C(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000111268978 186384426 /nfs/dbraw/zinc/38/44/26/186384426.db2.gz ITYNCPSPYPBACP-DRZSPHRISA-N 1 0 278.421 2.439 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@@H]1Cc1ccccc1 ZINC000111268488 186384601 /nfs/dbraw/zinc/38/46/01/186384601.db2.gz YZPXNCXURBORRG-FVQBIDKESA-N 1 0 272.392 2.076 10 0 CEAERO [NH3+]Cc1ccc(C(=O)NC2CCCCCCC2)nc1 ZINC000111281253 186388145 /nfs/dbraw/zinc/38/81/45/186388145.db2.gz WKGMBMQXSPHUQC-UHFFFAOYSA-N 1 0 261.369 2.383 10 0 CEAERO CCCC1CCN(C(=O)c2ccc(C[NH3+])cn2)CC1 ZINC000111282267 186388425 /nfs/dbraw/zinc/38/84/25/186388425.db2.gz XFPRBFASLZPCNB-UHFFFAOYSA-N 1 0 261.369 2.193 10 0 CEAERO Cc1ccc(NC(=O)c2ccc(C[NH3+])cn2)c(F)c1 ZINC000111281349 186388636 /nfs/dbraw/zinc/38/86/36/186388636.db2.gz NVPXRCGOYDGOJK-UHFFFAOYSA-N 1 0 259.284 2.240 10 0 CEAERO [NH3+]Cc1ccc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)nc1 ZINC000111281616 186388749 /nfs/dbraw/zinc/38/87/49/186388749.db2.gz YDSRLPLDSGYDLC-HIFRSBDPSA-N 1 0 273.380 2.335 10 0 CEAERO [NH3+]Cc1ccc(C(=O)Nc2ccc(OC(F)F)cc2)nc1 ZINC000111281371 186388920 /nfs/dbraw/zinc/38/89/20/186388920.db2.gz MBZHYOLUXCUYHC-UHFFFAOYSA-N 1 0 293.273 2.394 10 0 CEAERO [NH3+][C@H]1CC[C@@H]2CN(C(=O)c3ccc4[nH]ccc4c3)C[C@@H]2C1 ZINC000111288873 186390722 /nfs/dbraw/zinc/39/07/22/186390722.db2.gz AVDFQTXXEUHGKV-ILXRZTDVSA-N 1 0 283.375 2.367 10 0 CEAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc2cc[nH]c2c1 ZINC000111288971 186390758 /nfs/dbraw/zinc/39/07/58/186390758.db2.gz LOUPSBGCUOCWCT-PBWFPOADSA-N 1 0 269.348 2.181 10 0 CEAERO CC[C@H]1CCCN1c1nc2ccccn2c1CC[NH3+] ZINC000111477637 186421925 /nfs/dbraw/zinc/42/19/25/186421925.db2.gz VADUTAWFJFXGJV-LBPRGKRZSA-N 1 0 258.369 2.214 10 0 CEAERO CCOCCN(CC)c1ccc(C[C@@H](C)[NH3+])cc1 ZINC000111497157 186423580 /nfs/dbraw/zinc/42/35/80/186423580.db2.gz DAXJWIPCKOEJDM-CYBMUJFWSA-N 1 0 250.386 2.439 10 0 CEAERO C[C@@H]([NH3+])Cc1c(Oc2cccnc2)nc2sccn21 ZINC000111515338 186425608 /nfs/dbraw/zinc/42/56/08/186425608.db2.gz LGNVONMICSANIS-SECBINFHSA-N 1 0 274.349 2.473 10 0 CEAERO Cc1cc(C[C@@H](C)[NH3+])ccc1SCCS(C)(=O)=O ZINC000111578871 186428183 /nfs/dbraw/zinc/42/81/83/186428183.db2.gz VCWQYGWMJYQEGJ-LLVKDONJSA-N 1 0 287.450 2.021 10 0 CEAERO CC[C@H]([NH3+])Cc1c(C)nn(C)c1Sc1ncc(C)cn1 ZINC000111589038 186429537 /nfs/dbraw/zinc/42/95/37/186429537.db2.gz JIYHKYIYUUSUFG-NSHDSACASA-N 1 0 291.424 2.258 10 0 CEAERO CC(C)CC[NH+](CCC(C)C)C[C@@H](O)CN1CCCC1=O ZINC000111682226 186441616 /nfs/dbraw/zinc/44/16/16/186441616.db2.gz SBRGHLZNBOZULS-MRXNPFEDSA-N 1 0 298.471 2.364 10 0 CEAERO CCC(CC)NC(=O)[C@H](C)N1CCCC[C@@H]1C[NH2+]C1CC1 ZINC000111703186 186447412 /nfs/dbraw/zinc/44/74/12/186447412.db2.gz NNMQTIDAZJQIHF-XJKSGUPXSA-N 1 0 295.471 2.286 10 0 CEAERO CC(C)C[NH2+]C[C@H]1CCCCN1[C@@H](C)C(=O)NC(C)(C)C ZINC000111704868 186447656 /nfs/dbraw/zinc/44/76/56/186447656.db2.gz GTHHXSJWMHKVNG-LSDHHAIUSA-N 1 0 297.487 2.390 10 0 CEAERO CCC[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000111720464 186450503 /nfs/dbraw/zinc/45/05/03/186450503.db2.gz JEEZXOBQXQXPDV-CQSZACIVSA-N 1 0 296.436 2.229 10 0 CEAERO Cc1ccc(F)c(NC(=O)CCOC2CC[NH2+]CC2)c1 ZINC000111799931 186459125 /nfs/dbraw/zinc/45/91/25/186459125.db2.gz ACKVEDXVOVWYLH-UHFFFAOYSA-N 1 0 280.343 2.231 10 0 CEAERO CCN(c1c(C(N)=[NH2+])c(C)nn1C)c1cccc(C)c1 ZINC000111358299 186405240 /nfs/dbraw/zinc/40/52/40/186405240.db2.gz YOILRGOAEQLEEK-UHFFFAOYSA-N 1 0 271.368 2.479 10 0 CEAERO COc1ccc(C(=O)N[C@]2(C[NH3+])CCC[C@@H](C)C2)cc1F ZINC000111370044 186407402 /nfs/dbraw/zinc/40/74/02/186407402.db2.gz RMOWXWMVFUOIMA-BDJLRTHQSA-N 1 0 294.370 2.472 10 0 CEAERO CO[C@@H](C(=O)N[C@@]1(C[NH3+])CCC[C@@H](C)C1)c1ccccc1 ZINC000111369722 186407917 /nfs/dbraw/zinc/40/79/17/186407917.db2.gz BBQABPZRZQWUFB-UNEWFSDZSA-N 1 0 290.407 2.398 10 0 CEAERO O[C@H](CC[N@H+]1[C@@H]2CC[C@H]1CC(O)C2)c1ccc(F)cc1 ZINC000111397168 186411804 /nfs/dbraw/zinc/41/18/04/186411804.db2.gz XKJPIAAHKDRBRC-VFSICIBPSA-N 1 0 279.355 2.237 10 0 CEAERO C[NH2+]CCC1CCN(c2cnc3ccccc3n2)CC1 ZINC000070190218 363051978 /nfs/dbraw/zinc/05/19/78/363051978.db2.gz RIYLAWQLIOSLFY-UHFFFAOYSA-N 1 0 270.380 2.456 10 0 CEAERO COc1cccnc1N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000630094700 351616492 /nfs/dbraw/zinc/61/64/92/351616492.db2.gz WTESIOPYKUYKRU-NXEZZACHSA-N 1 0 289.301 2.054 10 0 CEAERO Cc1ccc(-c2cc(N3CCC([NH3+])CC3)n[nH]2)cc1 ZINC000070460095 363087429 /nfs/dbraw/zinc/08/74/29/363087429.db2.gz UKFLVDBIMLXLIC-UHFFFAOYSA-N 1 0 256.353 2.313 10 0 CEAERO CO[C@H]1CN(CCOc2ccccc2Cl)[C@](C)(C[NH3+])C1 ZINC000630359999 351711883 /nfs/dbraw/zinc/71/18/83/351711883.db2.gz IEACVQDJNQWETG-DOMZBBRYSA-N 1 0 298.814 2.157 10 0 CEAERO CO[C@@H]1CN(Cc2ccc(C)c(C)c2)[C@@](C)(C[NH3+])C1 ZINC000630365023 351713051 /nfs/dbraw/zinc/71/30/51/351713051.db2.gz HHILLYGLTTXSSU-JKSUJKDBSA-N 1 0 262.397 2.242 10 0 CEAERO CO[C@@H]1CN(Cc2sccc2Cl)[C@](C)(C[NH3+])C1 ZINC000630367351 351714409 /nfs/dbraw/zinc/71/44/09/351714409.db2.gz OBYLUEBKQSFQFJ-CABZTGNLSA-N 1 0 274.817 2.340 10 0 CEAERO CO[C@@H]1CN(Cc2sccc2Cl)[C@@](C)(C[NH3+])C1 ZINC000630367352 351714635 /nfs/dbraw/zinc/71/46/35/351714635.db2.gz OBYLUEBKQSFQFJ-JOYOIKCWSA-N 1 0 274.817 2.340 10 0 CEAERO C[C@H]1CC[C@H](Nc2ccc(OC(F)F)cn2)C[NH2+]1 ZINC000630534189 351775083 /nfs/dbraw/zinc/77/50/83/351775083.db2.gz ULZYUBZJGHCRGJ-IUCAKERBSA-N 1 0 257.284 2.235 10 0 CEAERO C[C@@H]1[NH2+]CC[C@H]1Nc1ccc(Br)cn1 ZINC000630546692 351779850 /nfs/dbraw/zinc/77/98/50/351779850.db2.gz SJTRJYCDQHYVQE-IONNQARKSA-N 1 0 256.147 2.006 10 0 CEAERO CCc1cc2c(ncnc2N2C[C@@H](C)[C@@H](C[NH3+])C2)s1 ZINC000630570002 351788190 /nfs/dbraw/zinc/78/81/90/351788190.db2.gz LOKWHHGXHWPYOF-ZJUUUORDSA-N 1 0 276.409 2.285 10 0 CEAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3ccco3)C2)n1 ZINC000121912957 187004592 /nfs/dbraw/zinc/00/45/92/187004592.db2.gz KFLFQYQZQPFLIZ-AWEZNQCLSA-N 1 0 274.368 2.400 10 0 CEAERO CC[C@@](C)(O)C[N@H+](C)CCOc1ccc(OC)cc1 ZINC000123045505 187068229 /nfs/dbraw/zinc/06/82/29/187068229.db2.gz ZXDNOFRULKBZRK-OAHLLOKOSA-N 1 0 267.369 2.167 10 0 CEAERO COc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CCOCC2)c(F)c1 ZINC000123254001 187080820 /nfs/dbraw/zinc/08/08/20/187080820.db2.gz UWTNSSCQQUFOIU-QWHCGFSZSA-N 1 0 296.386 2.206 10 0 CEAERO C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1F)N1CCOCC1 ZINC000123301381 187083961 /nfs/dbraw/zinc/08/39/61/187083961.db2.gz YBZIDMANNOFQOM-VXGBXAGGSA-N 1 0 284.350 2.336 10 0 CEAERO [NH3+]C[C@@H]1CCCN1Cc1csc(-c2ccccn2)n1 ZINC000123441785 187091938 /nfs/dbraw/zinc/09/19/38/187091938.db2.gz ZSEPKYQBASUDIZ-LBPRGKRZSA-N 1 0 274.393 2.128 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(C(C)C)on1 ZINC000123466020 187094151 /nfs/dbraw/zinc/09/41/51/187094151.db2.gz VYRXXVZGYIHVLZ-LBPRGKRZSA-N 1 0 279.384 2.354 10 0 CEAERO O=C(CCC[N@H+]1CC[C@@H](CCO)C1)c1ccccc1 ZINC000123690516 187105041 /nfs/dbraw/zinc/10/50/41/187105041.db2.gz LDAQZPJFYQCCDA-AWEZNQCLSA-N 1 0 261.365 2.354 10 0 CEAERO CC(C)c1cc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)no1 ZINC000123993020 187117338 /nfs/dbraw/zinc/11/73/38/187117338.db2.gz LXFXPIYXMFAFFA-AAEUAGOBSA-N 1 0 279.384 2.257 10 0 CEAERO C[C@H]1CN(c2ccc(Br)cn2)C[C@@H]1[NH+](C)C ZINC000123994670 187117552 /nfs/dbraw/zinc/11/75/52/187117552.db2.gz JKQGYRNKBSOHCB-ONGXEEELSA-N 1 0 284.201 2.230 10 0 CEAERO CC(C)n1ncnc1C[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000631126294 351977114 /nfs/dbraw/zinc/97/71/14/351977114.db2.gz IIJAOPXAWFHJBD-RYUDHWBXSA-N 1 0 266.389 2.152 10 0 CEAERO Brc1ccc(S[C@H]2CC[NH2+]C2)nc1 ZINC000070615550 363102076 /nfs/dbraw/zinc/10/20/76/363102076.db2.gz PBBVDSOHYOSDMZ-QMMMGPOBSA-N 1 0 259.172 2.298 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@H](C)c2ccc(C)s2)C1 ZINC000252644498 539884583 /nfs/dbraw/zinc/88/45/83/539884583.db2.gz OSOZJJNYHYOWBG-CHWSQXEVSA-N 1 0 268.426 2.428 10 0 CEAERO C[C@@H](CNC(=O)[C@]1(C)CCCC[NH2+]1)c1ccccc1 ZINC000136143409 187867733 /nfs/dbraw/zinc/86/77/33/187867733.db2.gz WDYKCEBSDSPTLJ-BBRMVZONSA-N 1 0 260.381 2.439 10 0 CEAERO CCC[NH2+][C@H](C)c1ccccc1N1CCNC(=O)C1(C)C ZINC000110658502 535191433 /nfs/dbraw/zinc/19/14/33/535191433.db2.gz CIVPIXRVXFUVLM-CYBMUJFWSA-N 1 0 289.423 2.462 10 0 CEAERO CC(C)Oc1cncc(NCc2ccc3c(c2)C[NH2+]C3)n1 ZINC000097829787 539953205 /nfs/dbraw/zinc/95/32/05/539953205.db2.gz IRBVSLNJCRFECA-UHFFFAOYSA-N 1 0 284.363 2.479 10 0 CEAERO O=C([C@@H]1C[C@H]2C[C@H]2C1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000250983919 539971049 /nfs/dbraw/zinc/97/10/49/539971049.db2.gz BQUUOCDGPOYFDC-RMEBNNNOSA-N 1 0 262.397 2.023 10 0 CEAERO COCc1ccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000155325750 188198901 /nfs/dbraw/zinc/19/89/01/188198901.db2.gz WMYZUSHSIVEAFZ-CJNGLKHVSA-N 1 0 290.407 2.292 10 0 CEAERO Cc1cc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c(C)o1 ZINC000155667984 188220237 /nfs/dbraw/zinc/22/02/37/188220237.db2.gz KVVCKPLKNJYMMM-IINYFYTJSA-N 1 0 264.369 2.355 10 0 CEAERO CC[C@@H](CCO)[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000131906569 366098376 /nfs/dbraw/zinc/09/83/76/366098376.db2.gz XKMYLVXVBLOMRG-GWCFXTLKSA-N 1 0 253.390 2.331 10 0 CEAERO C[C@@H]1CCCN(c2ccncc2Br)[C@H]1C[NH3+] ZINC000252835398 540008880 /nfs/dbraw/zinc/00/88/80/540008880.db2.gz UQRGNOCUEZNRJZ-SKDRFNHKSA-N 1 0 284.201 2.408 10 0 CEAERO Cc1cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@H]2O)nn1C ZINC000337275027 366119984 /nfs/dbraw/zinc/11/99/84/366119984.db2.gz FSXZXYDZNNWRNF-BZUAXINKSA-N 1 0 277.412 2.244 10 0 CEAERO C[C@@H]1CCCN(c2nnc(C(F)(F)F)s2)[C@H]1C[NH3+] ZINC000253160495 540016543 /nfs/dbraw/zinc/01/65/43/540016543.db2.gz SYZOLCPKCIWGTH-RQJHMYQMSA-N 1 0 280.319 2.121 10 0 CEAERO CC[C@@H]1CN(c2nnc(C(F)(F)F)s2)CC[C@H]1[NH3+] ZINC000253156579 540016610 /nfs/dbraw/zinc/01/66/10/540016610.db2.gz OZHNALKLUOKWBH-RNFRBKRXSA-N 1 0 280.319 2.121 10 0 CEAERO CC(C)[C@@H]1CN(C(=O)C[C@@H]2CCCCC(=O)N2)CC[N@@H+]1C ZINC000328694216 202016936 /nfs/dbraw/zinc/01/69/36/202016936.db2.gz CVASMVNAZGEAHQ-KBPBESRZSA-N 1 0 295.427 2.074 10 0 CEAERO Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3ncnn3C1)CC2 ZINC000175010481 283006939 /nfs/dbraw/zinc/00/69/39/283006939.db2.gz TUAZSONIZZTOHB-TZMCWYRMSA-N 1 0 272.327 2.009 10 0 CEAERO [NH3+]C[C@@H]1CCCN1C(=O)c1sccc1Br ZINC000132877141 366177758 /nfs/dbraw/zinc/17/77/58/366177758.db2.gz RPXHJTJHDKWIET-ZETCQYMHSA-N 1 0 289.198 2.074 10 0 CEAERO C[C@H]1CC[C@@H](C(=O)Nc2ccc(OCC[NH+](C)C)cc2)O1 ZINC000132981358 366185952 /nfs/dbraw/zinc/18/59/52/366185952.db2.gz IEHWMPSMKRTQAB-WFASDCNBSA-N 1 0 292.379 2.133 10 0 CEAERO CCCN(C(=O)[C@H](C)C1C[NH2+]C1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000262591915 283028270 /nfs/dbraw/zinc/02/82/70/283028270.db2.gz WJBCBBYFJKNPRB-YUELXQCFSA-N 1 0 296.455 2.284 10 0 CEAERO CC1(C)CN(CC23CCC(CC2)[NH2+]3)CC(C)(C)O1 ZINC000675055991 540072971 /nfs/dbraw/zinc/07/29/71/540072971.db2.gz HENQGHYCKDWMQD-UHFFFAOYSA-N 1 0 252.402 2.160 10 0 CEAERO CCOc1cccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000171890940 188765771 /nfs/dbraw/zinc/76/57/71/188765771.db2.gz GLDAVIXMNNZLHP-CQSZACIVSA-N 1 0 289.379 2.397 10 0 CEAERO CC(C)CNC(=O)N([C@@H](CC[NH3+])C(F)(F)F)C1CC1 ZINC000675059063 540079517 /nfs/dbraw/zinc/07/95/17/540079517.db2.gz JAFQAHJDLYAYPP-JTQLQIEISA-N 1 0 281.322 2.096 10 0 CEAERO [NH3+]C[C@]12CCC[C@H]1CN(c1ncccc1Br)C2 ZINC000380018564 540123662 /nfs/dbraw/zinc/12/36/62/540123662.db2.gz CWGNLUCTNZRKHJ-GWCFXTLKSA-N 1 0 296.212 2.409 10 0 CEAERO CC(C)[NH2+]CC(=O)N[C@H](C)c1cc(F)ccc1F ZINC000037609975 540153691 /nfs/dbraw/zinc/15/36/91/540153691.db2.gz KAZGFXZLNUUXCL-SECBINFHSA-N 1 0 256.296 2.140 10 0 CEAERO CC[NH+]1CCN(Cc2cc(N)ccc2Br)CC1 ZINC000128345989 540148079 /nfs/dbraw/zinc/14/80/79/540148079.db2.gz NSRFMNXUYFZGAU-UHFFFAOYSA-N 1 0 298.228 2.169 10 0 CEAERO CC(C)(C)c1nnc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])s1 ZINC000261750831 540151159 /nfs/dbraw/zinc/15/11/59/540151159.db2.gz MPDZYYADASMQTJ-RKDXNWHRSA-N 1 0 282.413 2.149 10 0 CEAERO CCc1cnc(CN(C)C(=O)[C@@H]2CCC[C@@H]2C[NH3+])s1 ZINC000261838302 540154142 /nfs/dbraw/zinc/15/41/42/540154142.db2.gz PHRZLMCANGRWOS-ZYHUDNBSSA-N 1 0 281.425 2.039 10 0 CEAERO CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000262422245 540181183 /nfs/dbraw/zinc/18/11/83/540181183.db2.gz BMJBLDFVNRPCEK-BMFZPTHFSA-N 1 0 290.407 2.269 10 0 CEAERO C[C@@H]([NH2+]CCCN(C)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000570077247 299236276 /nfs/dbraw/zinc/23/62/76/299236276.db2.gz RLBPNHWTMNVZOC-HZPDHXFCSA-N 1 0 275.440 2.491 10 0 CEAERO NC(=[NH2+])Nc1ccc(F)c(Br)c1F ZINC000575484936 366292061 /nfs/dbraw/zinc/29/20/61/366292061.db2.gz KFRYSYCBNKQIQX-UHFFFAOYSA-N 1 0 250.046 2.033 10 0 CEAERO Nc1ccnc(C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000575601130 366297937 /nfs/dbraw/zinc/29/79/37/366297937.db2.gz JSFGGGQGIHWRRY-UHFFFAOYSA-N 1 0 268.364 2.269 10 0 CEAERO [NH3+]C1CC(C(=O)c2sccc2Br)C1 ZINC000575506530 366293032 /nfs/dbraw/zinc/29/30/32/366293032.db2.gz LUKIRNJROIYQCW-UHFFFAOYSA-N 1 0 260.156 2.431 10 0 CEAERO C[C@H]1C[C@@H]1NC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000075977949 363503859 /nfs/dbraw/zinc/50/38/59/363503859.db2.gz DHLVXPAQOYGKED-ZFWWWQNUSA-N 1 0 275.396 2.216 10 0 CEAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)c2ccnn2C2CCCC2)C1 ZINC000329023629 202158120 /nfs/dbraw/zinc/15/81/20/202158120.db2.gz UMEKYJNYIRQTFW-TZMCWYRMSA-N 1 0 290.411 2.211 10 0 CEAERO C[C@H]1CCCN(c2nc3ccccc3n2C)[C@@H]1C[NH3+] ZINC000079048726 538813099 /nfs/dbraw/zinc/81/30/99/538813099.db2.gz FDGHPOQDFCJHHJ-SMDDNHRTSA-N 1 0 258.369 2.137 10 0 CEAERO COc1ccc(C)cc1[C@@H](C)NC(=O)CC1([NH3+])CC1 ZINC000398122382 538864455 /nfs/dbraw/zinc/86/44/55/538864455.db2.gz HEJKAOYRVRNSNH-LLVKDONJSA-N 1 0 262.353 2.062 10 0 CEAERO [NH3+]C1CCC(C(=O)N2CCC3(CC3(F)F)CC2)CC1 ZINC000405048914 540278550 /nfs/dbraw/zinc/27/85/50/540278550.db2.gz AINHVKDJZUKQHN-UHFFFAOYSA-N 1 0 272.339 2.152 10 0 CEAERO Cc1sc([C@@H](O)[C@@H](C)C[NH3+])cc1Br ZINC000227991205 540341605 /nfs/dbraw/zinc/34/16/05/540341605.db2.gz UROHYYQKQCMEEI-CDUCUWFYSA-N 1 0 264.188 2.447 10 0 CEAERO O=C(CC[C@H]1CCC[NH2+]1)Nc1cc(Cl)ccn1 ZINC000310485332 540343519 /nfs/dbraw/zinc/34/35/19/540343519.db2.gz MRBZTXWJGAPWIP-SNVBAGLBSA-N 1 0 253.733 2.206 10 0 CEAERO C[NH+](C)[C@H]1CCCN(C(=O)C[C@@H]2CCCCNC2=O)CC1 ZINC000329264213 202257542 /nfs/dbraw/zinc/25/75/42/202257542.db2.gz BTWXNKDFTVWHQU-KBPBESRZSA-N 1 0 295.427 2.076 10 0 CEAERO CCC[C@@H]1CCCN(C(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000578142934 366450333 /nfs/dbraw/zinc/45/03/33/366450333.db2.gz ZGSKGUNQJDBTFF-KGLIPLIRSA-N 1 0 252.402 2.415 10 0 CEAERO CCOc1cc(F)ccc1NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000079515603 363611412 /nfs/dbraw/zinc/61/14/12/363611412.db2.gz DREGIVWGXTVJHN-AWEZNQCLSA-N 1 0 266.316 2.305 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC[C@@H]2O)C1(C)C ZINC000135633985 366463508 /nfs/dbraw/zinc/46/35/08/366463508.db2.gz IDTGJOHEAUFGOM-ZOBORPQBSA-N 1 0 255.402 2.473 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]CCC(=O)NC(C)(C)C)c1C ZINC000135680228 366467254 /nfs/dbraw/zinc/46/72/54/366467254.db2.gz ADXPIGAGVBBBII-NSHDSACASA-N 1 0 294.443 2.475 10 0 CEAERO O[C@@H]1CCC[C@@H](C[N@@H+]2CCOc3ccccc3C2)C1 ZINC000311637850 540457667 /nfs/dbraw/zinc/45/76/67/540457667.db2.gz KHBMJEDYVPMABU-UKRRQHHQSA-N 1 0 261.365 2.432 10 0 CEAERO CCOC[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[C@@H](O)C1 ZINC000313234251 540464810 /nfs/dbraw/zinc/46/48/10/540464810.db2.gz PWGSWWTWPOYFGY-SOUVJXGZSA-N 1 0 255.402 2.429 10 0 CEAERO [NH3+]CC[C@H]1CCCN(c2ccc3c(n2)CCCC3=O)C1 ZINC000333514759 283446808 /nfs/dbraw/zinc/44/68/08/283446808.db2.gz JPXQDZHHSGNUGG-GFCCVEGCSA-N 1 0 273.380 2.166 10 0 CEAERO Cc1ncsc1-c1cncc(C[C@H]2CCC[NH2+]C2)n1 ZINC000685945687 540636903 /nfs/dbraw/zinc/63/69/03/540636903.db2.gz DNCWXSOFKWRUCN-LLVKDONJSA-N 1 0 274.393 2.451 10 0 CEAERO C[C@@H](CS(C)(=O)=O)[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000081902677 295999601 /nfs/dbraw/zinc/99/96/01/295999601.db2.gz LZGCKKBLMNZUND-GRYCIOLGSA-N 1 0 261.431 2.224 10 0 CEAERO C[NH+](C)C[C@@H](NC(=O)CC[C@H]1CCOC1)c1ccccc1 ZINC000176584780 189000568 /nfs/dbraw/zinc/00/05/68/189000568.db2.gz AHWJFVIAXUNFAH-GOEBONIOSA-N 1 0 290.407 2.222 10 0 CEAERO C[C@H](O)C[NH+]1CCC(CN(C)c2ccncc2Cl)CC1 ZINC000176922837 189014449 /nfs/dbraw/zinc/01/44/49/189014449.db2.gz CCMLFGPYKUANEO-LBPRGKRZSA-N 1 0 297.830 2.264 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)CCc2ccco2)[C@@H](C)C1 ZINC000177068949 189026203 /nfs/dbraw/zinc/02/62/03/189026203.db2.gz PSARMECHYLQGRO-JSGCOSHPSA-N 1 0 264.369 2.057 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]CCc2cnccn2)c1C ZINC000341900000 216144249 /nfs/dbraw/zinc/14/42/49/216144249.db2.gz WPQDEQQNOPQBAO-LLVKDONJSA-N 1 0 273.384 2.203 10 0 CEAERO COc1cccc([C@@H](C)CC(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000177646624 189060922 /nfs/dbraw/zinc/06/09/22/189060922.db2.gz XHTDNFBBCJKARA-DZGCQCFKSA-N 1 0 290.407 2.351 10 0 CEAERO Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000178328992 189107776 /nfs/dbraw/zinc/10/77/76/189107776.db2.gz OLTIEDXXCDIWRW-SJORKVTESA-N 1 0 285.391 2.390 10 0 CEAERO [NH3+][C@@H]1CCCN(c2ncc(Cl)cc2Br)C1 ZINC000162813127 283567763 /nfs/dbraw/zinc/56/77/63/283567763.db2.gz XNJDUAAKJWSIJE-MRVPVSSYSA-N 1 0 290.592 2.425 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]2CN(c3nc(C(F)(F)F)ns3)C[C@@H]21 ZINC000228793413 283579806 /nfs/dbraw/zinc/57/98/06/283579806.db2.gz BVLSTAJQXXTDRQ-GJMOJQLCSA-N 1 0 292.330 2.121 10 0 CEAERO Cc1cnn(CC[NH2+]Cc2ccc(Br)o2)c1 ZINC000178889148 189152714 /nfs/dbraw/zinc/15/27/14/189152714.db2.gz ANNYNALYRIRSQA-UHFFFAOYSA-N 1 0 284.157 2.337 10 0 CEAERO C[C@H]([NH2+]C[C@H](O)C(C)(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000268849660 299314735 /nfs/dbraw/zinc/31/47/35/299314735.db2.gz COGIOAOTFZLLJK-FZMZJTMJSA-N 1 0 299.436 2.148 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]2CN(c3ccc(C(F)(F)F)nn3)C[C@@H]21 ZINC000230135157 283588206 /nfs/dbraw/zinc/58/82/06/283588206.db2.gz ZWXOWLSTEFSGGN-LPEHRKFASA-N 1 0 286.301 2.059 10 0 CEAERO CCC[C@@H](C(=O)N[C@@H](C)COCc1ccccc1)[NH+](C)C ZINC000179468263 189196095 /nfs/dbraw/zinc/19/60/95/189196095.db2.gz FFVCULVUHKVJLN-HOCLYGCPSA-N 1 0 292.423 2.438 10 0 CEAERO c1cnn(CC2CC[NH+](Cc3cnn4ccccc34)CC2)c1 ZINC000179532019 189200374 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CC[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccccc1F ZINC000180853414 189280068 /nfs/dbraw/zinc/28/00/68/189280068.db2.gz ACOFRWUCMNUTFG-RISCZKNCSA-N 1 0 274.343 2.473 10 0 CEAERO CCSCC[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152454800 366696863 /nfs/dbraw/zinc/69/68/63/366696863.db2.gz SLLREXYKFOBBAZ-ZDUSSCGKSA-N 1 0 252.383 2.288 10 0 CEAERO CC(C)CN1C(=O)CC[C@@H]2C[N@H+](C(C)C)CC[C@@H]21 ZINC000012038337 361371553 /nfs/dbraw/zinc/37/15/53/361371553.db2.gz LACNVHZMCUVRSN-KGLIPLIRSA-N 1 0 252.402 2.364 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)NC[C@@H](C)Oc1ccccc1C ZINC000083479123 363775168 /nfs/dbraw/zinc/77/51/68/363775168.db2.gz WSSZQSKDINFZAI-CHWSQXEVSA-N 1 0 264.369 2.006 10 0 CEAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1cccnc1Cl ZINC000083704004 363783913 /nfs/dbraw/zinc/78/39/13/363783913.db2.gz MHMFYBURIXHOJN-VXGBXAGGSA-N 1 0 293.798 2.434 10 0 CEAERO C[C@](O)(C[N@@H+]1CC[C@]2(CCOC2)C1)c1ccccc1 ZINC000153962444 366749008 /nfs/dbraw/zinc/74/90/08/366749008.db2.gz FETAAIODOLJGRM-HOTGVXAUSA-N 1 0 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C[C@]12CCCC[C@H]1CN2C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000638758535 370730848 /nfs/dbraw/zinc/73/08/48/370730848.db2.gz XFGQMFXFOZAWSF-XPCVCDNBSA-N 1 0 250.386 2.295 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc2c1OCO2 ZINC000093437389 364181539 /nfs/dbraw/zinc/18/15/39/364181539.db2.gz HLGCBCYTOGCNTF-GXTWGEPZSA-N 1 0 274.364 2.084 10 0 CEAERO C[C@]12CCCC[C@H]1CN2C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000638758148 370728894 /nfs/dbraw/zinc/72/88/94/370728894.db2.gz UJRUIFRUVIVHEY-XPCVCDNBSA-N 1 0 250.386 2.153 10 0 CEAERO [NH3+][C@H]1CC[C@@H](C(=O)NCCc2ccccc2Cl)C1 ZINC000237933729 370760264 /nfs/dbraw/zinc/76/02/64/370760264.db2.gz YKGUISONJUOTAV-NEPJUHHUSA-N 1 0 266.772 2.126 10 0 CEAERO [NH3+][C@H]1CC[C@H](C(=O)Nc2cccc(OCCF)c2)C1 ZINC000237943638 370761969 /nfs/dbraw/zinc/76/19/69/370761969.db2.gz VWXHOEJMWGNAFI-QWRGUYRKSA-N 1 0 266.316 2.101 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](C(=O)N(CCC(F)(F)F)CC2CC2)C1 ZINC000237987394 370764473 /nfs/dbraw/zinc/76/44/73/370764473.db2.gz 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QGJBCIMZIGHVBA-UHFFFAOYSA-N 1 0 297.406 2.392 10 0 CEAERO CN(C[C@@H]1CCC[NH2+]C1)c1cnc2ccccc2n1 ZINC000095071112 364330937 /nfs/dbraw/zinc/33/09/37/364330937.db2.gz ORBMGHIXITZQJD-GFCCVEGCSA-N 1 0 256.353 2.066 10 0 CEAERO CNc1nc2ccccc2nc1OC[C@H]1CCC[NH2+]C1 ZINC000095071407 364331067 /nfs/dbraw/zinc/33/10/67/364331067.db2.gz VULIDRAQUCOEER-NSHDSACASA-N 1 0 272.352 2.050 10 0 CEAERO CNc1nc2ccccc2nc1OCC[C@@H]1CCC[NH2+]C1 ZINC000095071413 364331076 /nfs/dbraw/zinc/33/10/76/364331076.db2.gz MGQSIGOCCKBEQD-LBPRGKRZSA-N 1 0 286.379 2.440 10 0 CEAERO COCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000094955191 364314255 /nfs/dbraw/zinc/31/42/55/364314255.db2.gz ZFRDDKBRVKIYLF-QWHCGFSZSA-N 1 0 296.386 2.326 10 0 CEAERO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](C)C(C)C)C1 ZINC000097175429 364473450 /nfs/dbraw/zinc/47/34/50/364473450.db2.gz USTRWFGCVMYAOT-STQMWFEESA-N 1 0 255.406 2.062 10 0 CEAERO COc1ccc(Cl)cc1NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000104219073 364687391 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CC1(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)CC[NH2+]CC1 ZINC000193376939 189642198 /nfs/dbraw/zinc/64/21/98/189642198.db2.gz MQTCWBXRUSLSOR-UONOGXRCSA-N 1 0 264.413 2.461 10 0 CEAERO C[NH+](C)CCOc1ccc(Br)c(C=O)c1 ZINC000114811350 364967826 /nfs/dbraw/zinc/96/78/26/364967826.db2.gz AQXTWAJJJZSHKM-UHFFFAOYSA-N 1 0 272.142 2.202 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)C1 ZINC000116190140 365042255 /nfs/dbraw/zinc/04/22/55/365042255.db2.gz CZYPDUAQTVRFPF-GRYCIOLGSA-N 1 0 294.345 2.231 10 0 CEAERO Cn1cc([C@H]2CC[N@H+](Cc3cccnc3Cl)C2)cn1 ZINC000116311890 365050094 /nfs/dbraw/zinc/05/00/94/365050094.db2.gz QUDOVHAJIRKQQP-NSHDSACASA-N 1 0 276.771 2.458 10 0 CEAERO [NH3+]C[C@@H]1CC[C@H](Nc2ncccc2Br)C1 ZINC000335576350 212287665 /nfs/dbraw/zinc/28/76/65/212287665.db2.gz CJDHJICFHHFGKJ-BDAKNGLRSA-N 1 0 270.174 2.383 10 0 CEAERO C[NH+](C)C[C@H]1CN(C(=O)NCCCCC(C)(C)C)CCO1 ZINC000117045763 365089586 /nfs/dbraw/zinc/08/95/86/365089586.db2.gz DWYDWPHJFVEQCH-AWEZNQCLSA-N 1 0 299.459 2.175 10 0 CEAERO CCc1cccc(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000118792518 365180529 /nfs/dbraw/zinc/18/05/29/365180529.db2.gz REZGHRSQDBIQIE-OAHLLOKOSA-N 1 0 291.395 2.043 10 0 CEAERO CCSCC[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000119117077 365219766 /nfs/dbraw/zinc/21/97/66/365219766.db2.gz KIVSKZGNIHPKFK-UHFFFAOYSA-N 1 0 280.441 2.130 10 0 CEAERO CCC1(C[N@@H+]2CCO[C@H]3CCC[C@H]32)CCOCC1 ZINC000335979122 365246332 /nfs/dbraw/zinc/24/63/32/365246332.db2.gz MBZWPNDVABBMFS-KGLIPLIRSA-N 1 0 253.386 2.447 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccc(C(=O)OC)s1 ZINC000119565450 365291970 /nfs/dbraw/zinc/29/19/70/365291970.db2.gz MVGLFAPXUTUFNQ-LBPRGKRZSA-N 1 0 296.436 2.451 10 0 CEAERO O=C1NC2(CC[NH+](C3CCCCC3)CC2)N2CCCC[C@H]12 ZINC000336031744 365316718 /nfs/dbraw/zinc/31/67/18/365316718.db2.gz DEMYDQBYTXNMEY-OAHLLOKOSA-N 1 0 291.439 2.096 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)c1cc(F)cc(F)c1 ZINC000282432259 299358366 /nfs/dbraw/zinc/35/83/66/299358366.db2.gz TZZHUMNVDNGEBJ-IGJMFERPSA-N 1 0 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ZINC000262030418 371804114 /nfs/dbraw/zinc/80/41/14/371804114.db2.gz XLMRWFINGUEPLQ-RBSFLKMASA-N 1 0 280.437 2.303 10 0 CEAERO CC(C)([NH3+])CN1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000262040461 371808585 /nfs/dbraw/zinc/80/85/85/371808585.db2.gz YGMTXTUUDONDGD-SECBINFHSA-N 1 0 290.333 2.345 10 0 CEAERO CC(C)(C)Cc1cc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)n[nH]1 ZINC000262259505 371843556 /nfs/dbraw/zinc/84/35/56/371843556.db2.gz GBGUNECIDVNFAO-MNOVXSKESA-N 1 0 278.400 2.454 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000262496502 371868439 /nfs/dbraw/zinc/86/84/39/371868439.db2.gz ZSEHGLNCRFYKAP-JYJNAYRXSA-N 1 0 290.407 2.459 10 0 CEAERO CSCC[C@H]([NH3+])C(=O)N[C@H](C)CCc1ccc(C)o1 ZINC000262717604 371901041 /nfs/dbraw/zinc/90/10/41/371901041.db2.gz WHWADGPNALMBPB-MFKMUULPSA-N 1 0 284.425 2.106 10 0 CEAERO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000262877150 371917725 /nfs/dbraw/zinc/91/77/25/371917725.db2.gz VOCHKCHUGYVGPI-TUUVXOQKSA-N 1 0 272.392 2.213 10 0 CEAERO C[C@](O)(C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)C(F)(F)F ZINC000344289784 217135862 /nfs/dbraw/zinc/13/58/62/217135862.db2.gz AZDRDSPIPOEEJU-WYFGTUCQSA-N 1 0 281.318 2.093 10 0 CEAERO O=C1CC[C@@H]([NH2+]C[C@@H]2CCC[C@H]2O)c2ccccc2N1 ZINC000333285859 205185193 /nfs/dbraw/zinc/18/51/93/205185193.db2.gz YXNDDNVCKOGDOA-NJZAAPMLSA-N 1 0 274.364 2.211 10 0 CEAERO C[C@@H](Nc1ccc(N2CCCC2)nc1)[C@@H]1CCC[NH2+]C1 ZINC000643470817 373139286 /nfs/dbraw/zinc/13/92/86/373139286.db2.gz GZUSZHRJWBKXQD-ZIAGYGMSSA-N 1 0 274.412 2.482 10 0 CEAERO COC[C@@]1(C(=O)Nc2nc3ccccc3s2)CCC[NH2+]1 ZINC000643614756 373220929 /nfs/dbraw/zinc/22/09/29/373220929.db2.gz KBLKTLUTXPKIFG-CQSZACIVSA-N 1 0 291.376 2.003 10 0 CEAERO COC[C@]1(C(=O)Nc2nc3ccccc3s2)CCC[NH2+]1 ZINC000643614755 373220952 /nfs/dbraw/zinc/22/09/52/373220952.db2.gz KBLKTLUTXPKIFG-AWEZNQCLSA-N 1 0 291.376 2.003 10 0 CEAERO COC[C@@]1(C(=O)Nc2ccc(Cl)cc2F)CCC[NH2+]1 ZINC000643615606 373222454 /nfs/dbraw/zinc/22/24/54/373222454.db2.gz RGWVHMNEWHASKT-CYBMUJFWSA-N 1 0 286.734 2.186 10 0 CEAERO COC[C@]1(C(=O)Nc2cc(C)ccc2Cl)CCC[NH2+]1 ZINC000643628368 373225303 /nfs/dbraw/zinc/22/53/03/373225303.db2.gz RHSRJJRWXJYJKV-AWEZNQCLSA-N 1 0 282.771 2.356 10 0 CEAERO CC(C)c1ccccc1OCC(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000643590040 373205903 /nfs/dbraw/zinc/20/59/03/373205903.db2.gz UXRRHHPZJSHJIM-GXTWGEPZSA-N 1 0 276.380 2.137 10 0 CEAERO COc1cc(C)ccc1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054307634 541886891 /nfs/dbraw/zinc/88/68/91/541886891.db2.gz KOYUZQWPCGNJSF-GFCCVEGCSA-N 1 0 262.353 2.332 10 0 CEAERO COC[C@]1(C(=O)N[C@@H](C)CCC(C)(C)C)CCC[NH2+]1 ZINC000643709719 373240529 /nfs/dbraw/zinc/24/05/29/373240529.db2.gz JGAOFUIAXHCLDB-WFASDCNBSA-N 1 0 270.417 2.086 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1[NH2+]CC1(C)C)c1ccc(F)c(F)c1 ZINC000644007406 373336536 /nfs/dbraw/zinc/33/65/36/373336536.db2.gz XKRHDGIXKIDGRD-PELKAZGASA-N 1 0 268.307 2.140 10 0 CEAERO CCN1CCC[C@H]([NH2+][C@@H](C)c2cncc(F)c2)C1 ZINC000133055828 220206632 /nfs/dbraw/zinc/20/66/32/220206632.db2.gz GXKYUUFHONGVJS-FZMZJTMJSA-N 1 0 251.349 2.356 10 0 CEAERO C[C@H](Cc1cccc(F)c1)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000246513369 189928890 /nfs/dbraw/zinc/92/88/90/189928890.db2.gz QRVHDTQBMAQNBH-ZLDLUXBVSA-N 1 0 278.371 2.248 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@H]2CCc3ccccc32)C1 ZINC000246485535 189928908 /nfs/dbraw/zinc/92/89/08/189928908.db2.gz OWYKROVVDUCREL-RBSFLKMASA-N 1 0 272.392 2.350 10 0 CEAERO COc1ccc(F)cc1[C@H](C)NC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000247020704 189934669 /nfs/dbraw/zinc/93/46/69/189934669.db2.gz USBXQKLEUMOBRQ-XHVZSJERSA-N 1 0 280.343 2.139 10 0 CEAERO Cc1ccc(CC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1C ZINC000380722284 375166268 /nfs/dbraw/zinc/16/62/68/375166268.db2.gz JOULWSCUHKQZRB-ARFHVFGLSA-N 1 0 272.392 2.042 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CC2CCC1CC2 ZINC000381689329 375178191 /nfs/dbraw/zinc/17/81/91/375178191.db2.gz NHPSNWCSZJEYDA-JCBPEIEWSA-N 1 0 264.413 2.173 10 0 CEAERO [NH3+]CC[C@@H](Nc1ccnc(C(F)(F)F)c1)C(F)F ZINC000383399875 375202605 /nfs/dbraw/zinc/20/26/05/375202605.db2.gz RSKQMKZITGHDBV-SSDOTTSWSA-N 1 0 269.217 2.495 10 0 CEAERO CCN(C(=O)C[N@@H+]1CCC[C@H](O)[C@@H]1C)C1CCCCC1 ZINC000384888922 375220973 /nfs/dbraw/zinc/22/09/73/375220973.db2.gz KKVCJXLIIXIXSF-ZFWWWQNUSA-N 1 0 282.428 2.013 10 0 CEAERO CCN1CC[C@H]([NH2+][C@@H](C)c2c(C)nn(CC)c2C)C1 ZINC000389283657 375301045 /nfs/dbraw/zinc/30/10/45/375301045.db2.gz VIEWRJIFOCTDGP-FZMZJTMJSA-N 1 0 264.417 2.265 10 0 CEAERO O[C@@H]1CC[C@@H]2C[N@H+](Cc3nc4ccccc4[nH]3)C[C@H]2C1 ZINC000399023317 375356454 /nfs/dbraw/zinc/35/64/54/375356454.db2.gz VSDZDMYIMIRVAV-JHJVBQTASA-N 1 0 271.364 2.156 10 0 CEAERO Cc1scc(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c1C ZINC000399810248 375369597 /nfs/dbraw/zinc/36/95/97/375369597.db2.gz HEPSVUMSMUDCBD-DGCLKSJQSA-N 1 0 266.410 2.356 10 0 CEAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(F)cc1Cl ZINC000282338693 375459236 /nfs/dbraw/zinc/45/92/36/375459236.db2.gz LZAJBTDGFOIDSF-PRHODGIISA-N 1 0 270.735 2.236 10 0 CEAERO O=S1(=O)CC(CC[N@@H+](Cc2ccc(F)cc2)C2CC2)C1 ZINC000408515153 375505225 /nfs/dbraw/zinc/50/52/25/375505225.db2.gz RUPQOOGOBDNAQJ-UHFFFAOYSA-N 1 0 297.395 2.225 10 0 CEAERO O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000252446272 284520978 /nfs/dbraw/zinc/52/09/78/284520978.db2.gz QDZSRPGYUGSVDX-QXKUPLGCSA-N 1 0 292.423 2.077 10 0 CEAERO C[C@H]([NH2+]Cc1nc2ccc(O)cc2o1)[C@H]1CCCOC1 ZINC000408522224 375509914 /nfs/dbraw/zinc/50/99/14/375509914.db2.gz FONOKSPUNVJGIU-QWRGUYRKSA-N 1 0 276.336 2.438 10 0 CEAERO C[C@H](C[NH2+][C@@H](C)c1ccnn1C)N(C)C(=O)OC(C)(C)C ZINC000283167276 375667263 /nfs/dbraw/zinc/66/72/63/375667263.db2.gz IYTSCCUBOFAMHF-NEPJUHHUSA-N 1 0 296.415 2.326 10 0 CEAERO CO[C@@H](C)c1nsc(N(C)CC[C@H]([NH3+])C(C)C)n1 ZINC000310672324 376629837 /nfs/dbraw/zinc/62/98/37/376629837.db2.gz OAKKFONNLIJPFZ-UWVGGRQHSA-N 1 0 272.418 2.055 10 0 CEAERO C[C@](O)(C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O)C(F)(F)F ZINC000312676336 376723893 /nfs/dbraw/zinc/72/38/93/376723893.db2.gz JYMJKEAEYWCHGV-NDBYEHHHSA-N 1 0 295.345 2.315 10 0 CEAERO Cc1csc(CN(C[C@H]2CCC[NH2+]2)C2CC2)n1 ZINC000328628464 376867202 /nfs/dbraw/zinc/86/72/02/376867202.db2.gz HHFDXMYFEGGFMQ-LLVKDONJSA-N 1 0 251.399 2.168 10 0 CEAERO CC(C)CC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccccc1 ZINC000616569345 542153880 /nfs/dbraw/zinc/15/38/80/542153880.db2.gz IKEOZIPFEUJHQD-LSDHHAIUSA-N 1 0 260.381 2.294 10 0 CEAERO CC(C)CC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccccc1 ZINC000616569341 542153885 /nfs/dbraw/zinc/15/38/85/542153885.db2.gz IKEOZIPFEUJHQD-GJZGRUSLSA-N 1 0 260.381 2.294 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000165915810 542153180 /nfs/dbraw/zinc/15/31/80/542153180.db2.gz VWJJMAHTMLGRDL-AWEZNQCLSA-N 1 0 284.350 2.435 10 0 CEAERO CC[N@H+](C[C@H](C)OC)C[C@](C)(O)c1ccccc1 ZINC000291357495 377189058 /nfs/dbraw/zinc/18/90/58/377189058.db2.gz YNFWQFLZQFEAKX-ZFWWWQNUSA-N 1 0 251.370 2.251 10 0 CEAERO [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccsc1 ZINC000131613916 249316102 /nfs/dbraw/zinc/31/61/02/249316102.db2.gz IDOAOLCJSCBQGX-CQSZACIVSA-N 1 0 299.399 2.416 10 0 CEAERO C[C@@](O)(C[N@@H+]1CC[C@@H](N2CCCCC2)C1)c1ccccc1 ZINC000220590892 249342498 /nfs/dbraw/zinc/34/24/98/249342498.db2.gz HBQWVKCWWJKWQA-QZTJIDSGSA-N 1 0 288.435 2.454 10 0 CEAERO CC(C)(C)[C@H](O)C[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000295586494 378224647 /nfs/dbraw/zinc/22/46/47/378224647.db2.gz ZZMRRJMXOUTUNT-CQSZACIVSA-N 1 0 265.397 2.411 10 0 CEAERO Cc1cc(F)c(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000177331807 542244945 /nfs/dbraw/zinc/24/49/45/542244945.db2.gz MONBBRCYQNEIBW-LLVKDONJSA-N 1 0 280.318 2.193 10 0 CEAERO COCCCCCN1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000300405430 379164950 /nfs/dbraw/zinc/16/49/50/379164950.db2.gz PYZVZLISIVZAML-HUUCEWRRSA-N 1 0 254.418 2.362 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2CO)C12CCC2 ZINC000300413597 379168371 /nfs/dbraw/zinc/16/83/71/379168371.db2.gz BQHDRLIFUIHWAF-ZQDZILKHSA-N 1 0 267.413 2.475 10 0 CEAERO CCC[N@@H+](Cc1ncccc1C(=O)OC)CC1CC1 ZINC000302466067 379376713 /nfs/dbraw/zinc/37/67/13/379376713.db2.gz YXVMOHNSHLDYID-UHFFFAOYSA-N 1 0 262.353 2.490 10 0 CEAERO COC(=O)c1cccnc1C[N@@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000302297975 379353720 /nfs/dbraw/zinc/35/37/20/379353720.db2.gz HAZRDHWHIMOQSL-RYUDHWBXSA-N 1 0 262.353 2.346 10 0 CEAERO C[C@@H]([NH3+])CCNC(=O)c1cc(Cl)c2ccccc2n1 ZINC000521041375 379512999 /nfs/dbraw/zinc/51/29/99/379512999.db2.gz GFNHFMURVDBEJJ-SECBINFHSA-N 1 0 277.755 2.355 10 0 CEAERO C[C@@H]([NH2+]CC(=O)N(C)CC1CC1)c1ccc(F)c(F)c1 ZINC000181625717 542275260 /nfs/dbraw/zinc/27/52/60/542275260.db2.gz VSMZPRPGWGOHAX-SNVBAGLBSA-N 1 0 282.334 2.484 10 0 CEAERO C[C@H](NC(=O)[C@H]1CC[NH2+]1)c1ccc2c(c1)CCCC2 ZINC000334579265 380630036 /nfs/dbraw/zinc/63/00/36/380630036.db2.gz YIHZWVPFTXRZJP-XHDPSFHLSA-N 1 0 258.365 2.105 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)/C=C\c1ncccc1C ZINC000492604955 380620697 /nfs/dbraw/zinc/62/06/97/380620697.db2.gz QUWHWPRSWDHAFT-FJVVXJACSA-N 1 0 287.407 2.346 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)c1ccc2c(c1)OCCO2 ZINC000037165731 542278480 /nfs/dbraw/zinc/27/84/80/542278480.db2.gz JCNOYHOTYCFXIZ-YUTCNCBUSA-N 1 0 277.364 2.412 10 0 CEAERO CNC(=O)[C@H]([NH2+]CCCc1ccc(C)cc1)C(C)C ZINC000182425244 542281261 /nfs/dbraw/zinc/28/12/61/542281261.db2.gz ISVIIQIGTFFJLY-OAHLLOKOSA-N 1 0 262.397 2.288 10 0 CEAERO Cc1nc(C)c(NC(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)s1 ZINC000334855770 207194255 /nfs/dbraw/zinc/19/42/55/207194255.db2.gz WBJMTCSTTMYYEX-SNVBAGLBSA-N 1 0 282.413 2.351 10 0 CEAERO CC(C)CN(CC(C)C)C(=O)C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000183148435 542287533 /nfs/dbraw/zinc/28/75/33/542287533.db2.gz TXTQSHGFYJOHBZ-CABCVRRESA-N 1 0 284.444 2.284 10 0 CEAERO C[C@@H]1CN(C(=O)N2CC(C(C)(C)C)C2)C[C@@]1(C)C[NH3+] ZINC000334957818 207359323 /nfs/dbraw/zinc/35/93/23/207359323.db2.gz SFHVLPQVPNJCSE-IAQYHMDHSA-N 1 0 267.417 2.001 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](CO)CC2)C12CCOCC2 ZINC000186386297 542309232 /nfs/dbraw/zinc/30/92/32/542309232.db2.gz IMEQFZVENIUDJI-QXSJWSMHSA-N 1 0 297.439 2.101 10 0 CEAERO CCC[NH2+][C@@H]1CCN(Cc2cc(F)ccc2F)C1=O ZINC000070975654 184572373 /nfs/dbraw/zinc/57/23/73/184572373.db2.gz KNOUJMNSHBWGPQ-CYBMUJFWSA-N 1 0 268.307 2.065 10 0 CEAERO C[NH2+][C@@H](C)CCCSc1nnc2n1CCCCC2 ZINC000081865763 184598520 /nfs/dbraw/zinc/59/85/20/184598520.db2.gz RXPBUDHFGWKVAL-NSHDSACASA-N 1 0 268.430 2.485 10 0 CEAERO Cc1cc(Br)cnc1OC1CC([NH3+])C1 ZINC000086708956 184609797 /nfs/dbraw/zinc/60/97/97/184609797.db2.gz WDMVKRALFGQUJC-UHFFFAOYSA-N 1 0 257.131 2.021 10 0 CEAERO CCC[C@H](C)NC(=O)[C@@H](C)OC1(C[NH3+])CCCCC1 ZINC000086711081 184610325 /nfs/dbraw/zinc/61/03/25/184610325.db2.gz ZFXCJXLWRJEISF-QWHCGFSZSA-N 1 0 270.417 2.358 10 0 CEAERO [NH3+][C@@H](C[C@H]1CCCO1)c1cnn(-c2ccccc2)c1 ZINC000087212747 184613010 /nfs/dbraw/zinc/61/30/10/184613010.db2.gz DVOPTCURAQRUSS-CABCVRRESA-N 1 0 257.337 2.441 10 0 CEAERO C[NH2+]Cc1cc(C)c(C)c(S(=O)(=O)N2CCCCC2)c1 ZINC000088921630 184614220 /nfs/dbraw/zinc/61/42/20/184614220.db2.gz XRVSEQXHYTZGGS-UHFFFAOYSA-N 1 0 296.436 2.197 10 0 CEAERO COc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2CO)cc1O ZINC000089522555 184616054 /nfs/dbraw/zinc/61/60/54/184616054.db2.gz SIVGBCUXFPCXKN-KGLIPLIRSA-N 1 0 279.380 2.289 10 0 CEAERO CCc1ccc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2(C)C)cc1 ZINC000090335578 184616247 /nfs/dbraw/zinc/61/62/47/184616247.db2.gz WYVGDPKTCKQPJT-HUUCEWRRSA-N 1 0 272.392 2.319 10 0 CEAERO CCC[NH2+][C@](CO)(CN(C)C1CCCCC1)C1CC1 ZINC000085239015 184607076 /nfs/dbraw/zinc/60/70/76/184607076.db2.gz YGFNELVTWIBFRM-INIZCTEOSA-N 1 0 268.445 2.392 10 0 CEAERO O=C1C(=O)N(CCC[NH2+]C2CC2)c2cc(F)c(Cl)cc21 ZINC000092750967 184625354 /nfs/dbraw/zinc/62/53/54/184625354.db2.gz FEPIAPANSIMQPC-UHFFFAOYSA-N 1 0 296.729 2.151 10 0 CEAERO CC[NH2+][C@@H]1c2cc(OC)ccc2C[C@@H]1n1cccn1 ZINC000092835911 184630464 /nfs/dbraw/zinc/63/04/64/184630464.db2.gz FLNYIAPQVWAUFO-LSDHHAIUSA-N 1 0 257.337 2.340 10 0 CEAERO COc1ccc2c(c1)[C@](O)([C@H]1CCCCC[NH2+]1)CC2 ZINC000092857571 184632586 /nfs/dbraw/zinc/63/25/86/184632586.db2.gz CCTMPEOWFKJPGR-CVEARBPZSA-N 1 0 261.365 2.361 10 0 CEAERO COCC[NH2+]C[C@@H]1CCO[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000092882337 184633362 /nfs/dbraw/zinc/63/33/62/184633362.db2.gz GGYMBQPSNFBMLM-XPTSAGLGSA-N 1 0 289.297 2.418 10 0 CEAERO COCC[NH2+]C[C@H]1CCO[C@@H]1c1cc(OC)ccc1OC ZINC000092881965 184633434 /nfs/dbraw/zinc/63/34/34/184633434.db2.gz IDDBQMCWISGHQH-WBMJQRKESA-N 1 0 295.379 2.017 10 0 CEAERO CCOC(=O)c1c(C)nsc1NCC1CC[NH+](C)CC1 ZINC000092913868 184634484 /nfs/dbraw/zinc/63/44/84/184634484.db2.gz ZBSWESQKVDVEKR-UHFFFAOYSA-N 1 0 297.424 2.382 10 0 CEAERO CCC[C@H](C[NH3+])[C@](C)(O)Cc1ccc(OC)c(OC)c1 ZINC000093083570 184647353 /nfs/dbraw/zinc/64/73/53/184647353.db2.gz VDFPTRBLNGHWRT-CZUORRHYSA-N 1 0 281.396 2.372 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(C)ccn1 ZINC000392906224 542374967 /nfs/dbraw/zinc/37/49/67/542374967.db2.gz UVHNNPRNXDEELW-HZPDHXFCSA-N 1 0 259.397 2.449 10 0 CEAERO C[C@H](Oc1ccccc1F)C(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000261725647 299572546 /nfs/dbraw/zinc/57/25/46/299572546.db2.gz HHTOWZMHQXRRRC-FRRDWIJNSA-N 1 0 294.370 2.179 10 0 CEAERO COc1ccc([C@@H](C)[NH3+])cc1CN1C(=O)CC(C)CC1=O ZINC000093356527 184666524 /nfs/dbraw/zinc/66/65/24/184666524.db2.gz IWPLVPJJEKCDOI-LLVKDONJSA-N 1 0 290.363 2.000 10 0 CEAERO C[C@]1(c2ccccn2)CNC(=[NH2+])N1Cc1ccccc1 ZINC000093357208 184666735 /nfs/dbraw/zinc/66/67/35/184666735.db2.gz MKYCRJBRQOSISV-MRXNPFEDSA-N 1 0 266.348 2.127 10 0 CEAERO COc1cc(OC)cc([C@@H]2CNC(=[NH2+])N2CC(C)C)c1 ZINC000093375560 184668183 /nfs/dbraw/zinc/66/81/83/184668183.db2.gz BQOJHGBHTMMQKK-AWEZNQCLSA-N 1 0 277.368 2.031 10 0 CEAERO COc1ccc([C@]2(C)CNC(=[NH2+])N2CC(C)C)cc1 ZINC000093375600 184668751 /nfs/dbraw/zinc/66/87/51/184668751.db2.gz NLYMFJCKJQDZTM-HNNXBMFYSA-N 1 0 261.369 2.197 10 0 CEAERO Cc1nn(C)c(C)c1N[C@H](C)C[C@@H]1CCCC[NH2+]1 ZINC000093473534 184680845 /nfs/dbraw/zinc/68/08/45/184680845.db2.gz NOYKJQHYOXMPQC-MFKMUULPSA-N 1 0 250.390 2.370 10 0 CEAERO CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1S(=O)(=O)CCC ZINC000081939897 177904259 /nfs/dbraw/zinc/90/42/59/177904259.db2.gz OBFQCXHWTNTITH-XQQFMLRXSA-N 1 0 261.431 2.368 10 0 CEAERO COc1cccc(S(=O)(=O)CCC[NH2+]CC(C)C)c1 ZINC000081923572 177897485 /nfs/dbraw/zinc/89/74/85/177897485.db2.gz FBJRZDJWQQRDMG-UHFFFAOYSA-N 1 0 285.409 2.105 10 0 CEAERO CC[NH2+][C@H](CC)[C@@H](C)S(=O)(=O)c1ccccc1F ZINC000081923007 177895851 /nfs/dbraw/zinc/89/58/51/177895851.db2.gz AUAKPSSUYRILAC-ZYHUDNBSSA-N 1 0 273.373 2.376 10 0 CEAERO C[NH2+][C@@H]1CCOC[C@@H]1Sc1ccc(F)cc1F ZINC000081784468 177859146 /nfs/dbraw/zinc/85/91/46/177859146.db2.gz KZSORPVOFSHFGO-PWSUYJOCSA-N 1 0 259.321 2.434 10 0 CEAERO CCC[NH2+][C@H](C)[C@H](C)Sc1nnc(N(C)C)s1 ZINC000081769267 177856823 /nfs/dbraw/zinc/85/68/23/177856823.db2.gz BNQVIQPMWRWBIV-BDAKNGLRSA-N 1 0 274.459 2.473 10 0 CEAERO CC(C)[C@H]1CC[C@@H]([NH3+])[C@H](Sc2nccc(=O)[nH]2)C1 ZINC000081774439 177857609 /nfs/dbraw/zinc/85/76/09/177857609.db2.gz ZZCHRBXHRQEDCE-HBNTYKKESA-N 1 0 267.398 2.426 10 0 CEAERO CC[NH+](CC)[C@H]1CCN(c2ncnc3ccc(N)cc32)C1 ZINC000081592879 177827785 /nfs/dbraw/zinc/82/77/85/177827785.db2.gz MPMVFHZYKBXKDH-ZDUSSCGKSA-N 1 0 285.395 2.133 10 0 CEAERO CCC[NH2+]C[C@@H]1CCCN1c1nccc(C(F)(F)F)n1 ZINC000081587647 177825284 /nfs/dbraw/zinc/82/52/84/177825284.db2.gz DGWBWKHQLFBLRR-JTQLQIEISA-N 1 0 288.317 2.464 10 0 CEAERO O=S1(=O)CCC([NH2+][C@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000081629460 177833102 /nfs/dbraw/zinc/83/31/02/177833102.db2.gz OCEZVLDXTGVWFG-JSGCOSHPSA-N 1 0 271.426 2.122 10 0 CEAERO CCC(CC)(C[NH2+]CC(C)C)CN1CCn2cnnc2C1 ZINC000081541312 177812676 /nfs/dbraw/zinc/81/26/76/177812676.db2.gz DRXBOLCKKNSFIG-UHFFFAOYSA-N 1 0 293.459 2.146 10 0 CEAERO C[NH2+][C@H](C)c1cccc(NC(=O)N2CC[C@@H](COC)C2)c1 ZINC000081110545 177771302 /nfs/dbraw/zinc/77/13/02/177771302.db2.gz HEHCLTBLZBMUHY-CHWSQXEVSA-N 1 0 291.395 2.467 10 0 CEAERO O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCCC[NH2+]1 ZINC000081015028 177755666 /nfs/dbraw/zinc/75/56/66/177755666.db2.gz OVOPFARZPGEJJK-BAPHQMLMSA-N 1 0 276.424 2.460 10 0 CEAERO CC(C)[NH+](CCCNC(=O)N[C@@H]1C[C@@H]1C)C(C)C ZINC000080729876 177696095 /nfs/dbraw/zinc/69/60/95/177696095.db2.gz QQGPPSSUTGALCK-QWHCGFSZSA-N 1 0 255.406 2.203 10 0 CEAERO CCC[NH2+]Cc1cccc2c1ccn2C[C@@H](C)C(N)=O ZINC000080336464 177643382 /nfs/dbraw/zinc/64/33/82/177643382.db2.gz VZIZTWDRIVGLQM-GFCCVEGCSA-N 1 0 273.380 2.262 10 0 CEAERO Cc1csc([C@H](C)NC(=O)C2CCC([NH3+])CC2)n1 ZINC000080272781 177635476 /nfs/dbraw/zinc/63/54/76/177635476.db2.gz NNHIULIRXGKGEC-WHXUTIOJSA-N 1 0 267.398 2.146 10 0 CEAERO COC(=O)[C@@H](C)C[NH2+][C@H](C)Cc1ccc(C)s1 ZINC000080246017 177630774 /nfs/dbraw/zinc/63/07/74/177630774.db2.gz DKRIEGODJXIDPJ-VHSXEESVSA-N 1 0 255.383 2.386 10 0 CEAERO CC[NH+](CC)CC[C@@H]1CCC[C@]1([NH2+]C1CC1)C(=O)[O-] ZINC000093583384 184692336 /nfs/dbraw/zinc/69/23/36/184692336.db2.gz STUVRLANPOCQLN-SWLSCSKDSA-N 1 0 268.401 2.094 10 0 CEAERO [NH3+][C@]1(CO)CCC[C@H]1CCOCC1CCCCC1 ZINC000093619325 184696699 /nfs/dbraw/zinc/69/66/99/184696699.db2.gz XDEHZOMYFYUYBU-GJZGRUSLSA-N 1 0 255.402 2.463 10 0 CEAERO C[NH2+][C@@]1(CO)CCC[C@H]1CCOc1ccc(F)cc1 ZINC000093621372 184697202 /nfs/dbraw/zinc/69/72/02/184697202.db2.gz OAIHJTOUJKXLFI-SWLSCSKDSA-N 1 0 267.344 2.345 10 0 CEAERO CC(C)COCC[C@@H]1CCC[C@]1([NH2+]C(C)C)C(N)=O ZINC000093620301 184697508 /nfs/dbraw/zinc/69/75/08/184697508.db2.gz RUAHUVAHUQXPGK-DZGCQCFKSA-N 1 0 270.417 2.071 10 0 CEAERO CC(C)[NH2+][C@]1(CO)CCC[C@@H]1CCSc1ncccn1 ZINC000093622859 184697658 /nfs/dbraw/zinc/69/76/58/184697658.db2.gz YIMUMDXGDPVARZ-HIFRSBDPSA-N 1 0 295.452 2.488 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1CCS(=O)(=O)CC1CCCC1 ZINC000093624086 184697862 /nfs/dbraw/zinc/69/78/62/184697862.db2.gz OHCAWPWPXCHMOS-CHWSQXEVSA-N 1 0 259.415 2.109 10 0 CEAERO CCC[NH2+][C@]1(C(N)=O)CCC[C@H]1CCOc1ccccc1 ZINC000093624985 184698203 /nfs/dbraw/zinc/69/82/03/184698203.db2.gz VLBZHIDGAVFMHC-WMLDXEAASA-N 1 0 290.407 2.479 10 0 CEAERO COCC[NH2+]C[C@H](C)Cc1c(C)nc([C@H](C)OC)nc1C ZINC000093693100 184707280 /nfs/dbraw/zinc/70/72/80/184707280.db2.gz OYPUPTHGPHMHNF-RISCZKNCSA-N 1 0 295.427 2.215 10 0 CEAERO CC[NH2+]CCc1c(CC)nc([C@H](C)OC)nc1CC ZINC000093693118 184707646 /nfs/dbraw/zinc/70/76/46/184707646.db2.gz PQYLXFPOGRIWSY-NSHDSACASA-N 1 0 265.401 2.461 10 0 CEAERO C[NH2+][C@H](C)CC(C)(C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093702354 184707910 /nfs/dbraw/zinc/70/79/10/184707910.db2.gz UHUDBAXZSOSJQI-CHWSQXEVSA-N 1 0 290.473 2.072 10 0 CEAERO CCOC(=O)[C@]1(NC)CCC[C@@H]([N@@H+]2CCCC[C@@H]2C)C1 ZINC000093748664 184713217 /nfs/dbraw/zinc/71/32/17/184713217.db2.gz WINHPBGQXGCSSG-LZWOXQAQSA-N 1 0 282.428 2.325 10 0 CEAERO Cc1ccccc1C[C@H](O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000093925197 184743013 /nfs/dbraw/zinc/74/30/13/184743013.db2.gz YQOJYOKDJUEZBW-JKSUJKDBSA-N 1 0 263.381 2.008 10 0 CEAERO CC1(C)C([NH3+])C(C)(C)C1NC(=O)CCc1ccco1 ZINC000094006105 184749206 /nfs/dbraw/zinc/74/92/06/184749206.db2.gz PBGMNOOOFYAYLS-UHFFFAOYSA-N 1 0 264.369 2.090 10 0 CEAERO CCN(CC1CC[NH2+]CC1)c1cc(Cl)ccc1C(N)=O ZINC000094043441 184752096 /nfs/dbraw/zinc/75/20/96/184752096.db2.gz ZQZIURSXWWVFMK-UHFFFAOYSA-N 1 0 295.814 2.265 10 0 CEAERO C[NH2+][C@@H](c1cc(C)c(F)cc1F)C(C)(C)S(C)(=O)=O ZINC000094076560 184753837 /nfs/dbraw/zinc/75/38/37/184753837.db2.gz AFZDICUQMXXPLQ-LBPRGKRZSA-N 1 0 291.363 2.357 10 0 CEAERO C[NH2+][C@H]([C@H]1CCCc2cccnc21)C(C)(C)N(C)C ZINC000094137678 184756151 /nfs/dbraw/zinc/75/61/51/184756151.db2.gz MQQAVTXEDYPOAL-DZGCQCFKSA-N 1 0 261.413 2.430 10 0 CEAERO CCCOC[C@H](Cc1nc2ccccc2n1C)[NH2+]C ZINC000094171047 184759218 /nfs/dbraw/zinc/75/92/18/184759218.db2.gz YLILLXDPJYEVOI-LBPRGKRZSA-N 1 0 261.369 2.130 10 0 CEAERO CCCn1c(C[C@@H](CN(C)C)[NH2+]C)nc2ccccc21 ZINC000094171897 184759221 /nfs/dbraw/zinc/75/92/21/184759221.db2.gz YESJACWCZIUBAP-ZDUSSCGKSA-N 1 0 274.412 2.138 10 0 CEAERO CC[NH2+][C@H](CCOC)Cc1nc2ccccc2n1C ZINC000094170969 184759312 /nfs/dbraw/zinc/75/93/12/184759312.db2.gz JTEDCAUWBQXNKF-GFCCVEGCSA-N 1 0 261.369 2.130 10 0 CEAERO CC[C@](C)([C@H](O)Cc1nc2ccccc2n1C)[NH+](C)C ZINC000094170499 184759389 /nfs/dbraw/zinc/75/93/89/184759389.db2.gz UMEZYNBSBYIAGY-GDBMZVCRSA-N 1 0 275.396 2.207 10 0 CEAERO Cn1nc(COc2ccc(CC[NH3+])nc2)c2ccccc21 ZINC000094215272 184763592 /nfs/dbraw/zinc/76/35/92/184763592.db2.gz WASIFWPVZPHURE-UHFFFAOYSA-N 1 0 282.347 2.049 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1C(=O)c1cscc1C ZINC000094248304 184769962 /nfs/dbraw/zinc/76/99/62/184769962.db2.gz WPTCRGOHYJBYNZ-LLVKDONJSA-N 1 0 252.383 2.271 10 0 CEAERO CCC[NH2+][C@H]1CCCc2c1cnn2-c1ccncn1 ZINC000094258972 184770467 /nfs/dbraw/zinc/77/04/67/184770467.db2.gz HFNUBXTUEJMAJD-LBPRGKRZSA-N 1 0 257.341 2.039 10 0 CEAERO COc1cc2nc(CC3([NH3+])CCC3)[nH]c2cc1OC ZINC000094291560 184776865 /nfs/dbraw/zinc/77/68/65/184776865.db2.gz NXGPATIJEBBNQE-UHFFFAOYSA-N 1 0 261.325 2.004 10 0 CEAERO Cc1nc(NC(=O)CC2([NH3+])CCC2)ccc1Br ZINC000094295743 184777729 /nfs/dbraw/zinc/77/77/29/184777729.db2.gz YFPUIWLYHPXQBT-UHFFFAOYSA-N 1 0 298.184 2.363 10 0 CEAERO C[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC2(C)C)CC[C@@H]1[NH3+] ZINC000094332757 184782307 /nfs/dbraw/zinc/78/23/07/184782307.db2.gz IIFNQYUNXFKOOK-FVCCEPFGSA-N 1 0 252.402 2.445 10 0 CEAERO CCCCOCC[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000094369015 184790498 /nfs/dbraw/zinc/79/04/98/184790498.db2.gz IRKHSBFZGJEDBA-UONOGXRCSA-N 1 0 273.442 2.447 10 0 CEAERO CC[NH+](CC)CC[C@@H](O)[C@@H]1CCOC2(CCOCC2)C1 ZINC000094396963 184793248 /nfs/dbraw/zinc/79/32/48/184793248.db2.gz XVFMXXGRSKEXME-HUUCEWRRSA-N 1 0 285.428 2.055 10 0 CEAERO C[NH2+][C@H](c1ccccn1)[C@H]1CCOC2(CCOCC2)C1 ZINC000094398712 184793597 /nfs/dbraw/zinc/79/35/97/184793597.db2.gz VISIBWOBKPYBSC-ZFWWWQNUSA-N 1 0 276.380 2.318 10 0 CEAERO C[NH2+][C@@H]([C@H]1CCOC2(CCC2)C1)C(C)(C)N1CCOCC1 ZINC000094406962 184793780 /nfs/dbraw/zinc/79/37/80/184793780.db2.gz NAUBANOQJWDKSN-GJZGRUSLSA-N 1 0 296.455 2.035 10 0 CEAERO C([C@@H]1CCOC2(CCOCC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000094411452 184794538 /nfs/dbraw/zinc/79/45/38/184794538.db2.gz GUSSRKUNJLSSIO-KBPBESRZSA-N 1 0 253.386 2.494 10 0 CEAERO CCC[NH2+]C[C@](C)(O)[C@@H]1CCOC2(CCCC2)C1 ZINC000094418834 184795136 /nfs/dbraw/zinc/79/51/36/184795136.db2.gz BRNAMEABWURNIN-KGLIPLIRSA-N 1 0 255.402 2.476 10 0 CEAERO c1ccc2c(c1)C[NH2+][C@@H](C1CC1)CN2C[C@@H]1CCOC1 ZINC000094421482 184795412 /nfs/dbraw/zinc/79/54/12/184795412.db2.gz GZZVQOXVHQSHJR-XJKSGUPXSA-N 1 0 272.392 2.411 10 0 CEAERO CN(Cc1ccc(O)cc1)C(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000094751745 184852757 /nfs/dbraw/zinc/85/27/57/184852757.db2.gz OQFLXXXWEFVQLI-CABCVRRESA-N 1 0 276.380 2.258 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)N1CCC(CC)(CC)C1 ZINC000094802356 184868379 /nfs/dbraw/zinc/86/83/79/184868379.db2.gz MGBGQENQGWDBJL-KGLIPLIRSA-N 1 0 282.428 2.040 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N(CC(C)C)C1CCCC1 ZINC000094847420 184880108 /nfs/dbraw/zinc/88/01/08/184880108.db2.gz RYDTZGDSIVKEMO-JKSUJKDBSA-N 1 0 296.455 2.428 10 0 CEAERO COc1cccc(CN(C)[C@@]2(C[NH3+])CS[C@@H](C)C2)c1 ZINC000094473403 184807422 /nfs/dbraw/zinc/80/74/22/184807422.db2.gz DRFGLSDPECWIIX-WFASDCNBSA-N 1 0 280.437 2.350 10 0 CEAERO [NH3+][C@@H](Cc1c(F)cccc1Cl)[C@H]1CSCCO1 ZINC000094502622 184811381 /nfs/dbraw/zinc/81/13/81/184811381.db2.gz BTFRMFQUMMAZPC-NWDGAFQWSA-N 1 0 275.776 2.481 10 0 CEAERO C[NH2+][C@@H](c1cc(C)ccc1OC)[C@@H]1CSCCO1 ZINC000094503058 184811673 /nfs/dbraw/zinc/81/16/73/184811673.db2.gz MJZLEHDNJBGFRH-KBPBESRZSA-N 1 0 267.394 2.396 10 0 CEAERO C[NH2+]C[C@H](C)c1c(C)nc([C@@H]2CSCCO2)nc1C ZINC000094505493 184812494 /nfs/dbraw/zinc/81/24/94/184812494.db2.gz KTCRWTWEGXMVBW-CABZTGNLSA-N 1 0 281.425 2.221 10 0 CEAERO Cc1ccc(C)c(CC(=O)N2C[C@H](C)C[C@H]([NH3+])C2)c1 ZINC000094549886 184817149 /nfs/dbraw/zinc/81/71/49/184817149.db2.gz BWXSRNLAVPRVMX-DOMZBBRYSA-N 1 0 260.381 2.042 10 0 CEAERO [NH3+]C[C@H]1CC[C@@H](c2nc(Cc3ccc(F)cc3F)no2)O1 ZINC000094561081 184818482 /nfs/dbraw/zinc/81/84/82/184818482.db2.gz DQGZSYBNMKCURW-PWSUYJOCSA-N 1 0 295.289 2.117 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1ccc(Cl)s1 ZINC000094566323 184819458 /nfs/dbraw/zinc/81/94/58/184819458.db2.gz NSSOXBAYXWUVRJ-HLTSFMKQSA-N 1 0 288.800 2.085 10 0 CEAERO CCc1ccc(O)c(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000094575082 184821805 /nfs/dbraw/zinc/82/18/05/184821805.db2.gz ZWXHGWFACLTRFL-RYUDHWBXSA-N 1 0 262.353 2.411 10 0 CEAERO C[C@@H](CNc1nc2ccc(F)cn2n1)C[NH+]1CCCC1 ZINC000094605677 184824614 /nfs/dbraw/zinc/82/46/14/184824614.db2.gz CGRBTLMWYGNORV-NSHDSACASA-N 1 0 277.347 2.012 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@H]1Nc1nc2ccc(Cl)cn2n1 ZINC000094608840 184825625 /nfs/dbraw/zinc/82/56/25/184825625.db2.gz MOGQTXYDOQWZJP-MWLCHTKSSA-N 1 0 279.775 2.312 10 0 CEAERO Cc1ccc2nc(N3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)nn2c1 ZINC000094607466 184825733 /nfs/dbraw/zinc/82/57/33/184825733.db2.gz OMRNXFBSUMHDLX-KGLIPLIRSA-N 1 0 285.395 2.006 10 0 CEAERO Clc1ccc2nc(N3CCC[C@H]3[C@@H]3CCC[NH2+]3)nn2c1 ZINC000094607750 184825865 /nfs/dbraw/zinc/82/58/65/184825865.db2.gz YVRRYKHJXBGGBK-RYUDHWBXSA-N 1 0 291.786 2.104 10 0 CEAERO C[NH2+][C@@H]1CCC2(C[C@H]1Sc1ccncc1)OCCO2 ZINC000094615984 184826359 /nfs/dbraw/zinc/82/63/59/184826359.db2.gz YBAQQVULIMDIOX-CHWSQXEVSA-N 1 0 280.393 2.057 10 0 CEAERO CC[NH2+][C@@H](C)c1cc(F)ccc1O[C@H]1CCN(C)C1=O ZINC000094618875 184827089 /nfs/dbraw/zinc/82/70/89/184827089.db2.gz BAEQPFGYPLTEHX-HZMBPMFUSA-N 1 0 280.343 2.106 10 0 CEAERO CCC[NH2+][C@H](C)c1cc(F)ccc1OC[C@@H](O)COC ZINC000094620304 184827170 /nfs/dbraw/zinc/82/71/70/184827170.db2.gz UNJYATMUPGBQFY-YPMHNXCESA-N 1 0 285.359 2.272 10 0 CEAERO O=[S@](CCC[NH+]1CCCC1)c1cccc(F)c1 ZINC000094626945 184828664 /nfs/dbraw/zinc/82/86/64/184828664.db2.gz DJFXNOJQNDCLRM-KRWDZBQOSA-N 1 0 255.358 2.419 10 0 CEAERO C[C@@H]([NH3+])c1ccc(O[C@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000094634401 184830444 /nfs/dbraw/zinc/83/04/44/184830444.db2.gz JRANYMMFVGVUEY-UGFHNGPFSA-N 1 0 297.420 2.441 10 0 CEAERO CC1([NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)CCCC1 ZINC000094635436 184831456 /nfs/dbraw/zinc/83/14/56/184831456.db2.gz IPMPOOVIUCFTLB-NEPJUHHUSA-N 1 0 259.415 2.265 10 0 CEAERO CC1([NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CCCC1 ZINC000094635438 184831574 /nfs/dbraw/zinc/83/15/74/184831574.db2.gz IPMPOOVIUCFTLB-VXGBXAGGSA-N 1 0 259.415 2.265 10 0 CEAERO CC(C)[NH2+]CCC[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094644555 184832005 /nfs/dbraw/zinc/83/20/05/184832005.db2.gz QVADVSDTYTVXJL-STQMWFEESA-N 1 0 261.431 2.368 10 0 CEAERO CC(C)Cn1ncnc1C[C@H](C)[C@@H](C)[NH2+]C1CC1 ZINC000094655208 184835824 /nfs/dbraw/zinc/83/58/24/184835824.db2.gz LQCBLWOYVUIGCH-NWDGAFQWSA-N 1 0 250.390 2.253 10 0 CEAERO CC(C)C[C@@H](C[NH3+])C(=O)Nc1ccc(-c2nnco2)cc1 ZINC000094699499 184842722 /nfs/dbraw/zinc/84/27/22/184842722.db2.gz SZWOZBORQXPSQE-LBPRGKRZSA-N 1 0 288.351 2.296 10 0 CEAERO CC(C)C[C@H](C[NH3+])C(=O)N(C)CCOc1ccccc1 ZINC000094698292 184842778 /nfs/dbraw/zinc/84/27/78/184842778.db2.gz ILRWTUHTMINCHO-CQSZACIVSA-N 1 0 278.396 2.145 10 0 CEAERO CC(C)C[C@H](C[NH3+])C(=O)NCCCOC1CCCCC1 ZINC000094699506 184842809 /nfs/dbraw/zinc/84/28/09/184842809.db2.gz KASNHWKCHCXTPT-CQSZACIVSA-N 1 0 284.444 2.463 10 0 CEAERO CCC1CCC(O)(CNC(=O)[C@H](C[NH3+])CC(C)C)CC1 ZINC000094700718 184842864 /nfs/dbraw/zinc/84/28/64/184842864.db2.gz AKPHVIKWUMEANQ-BBBYJDLNSA-N 1 0 284.444 2.055 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1CNC(=O)Cc1cccc(F)c1F ZINC000094714885 184845716 /nfs/dbraw/zinc/84/57/16/184845716.db2.gz WFNOKZSKRHBJAU-YPMHNXCESA-N 1 0 282.334 2.141 10 0 CEAERO CCCN1CCO[C@H]([C@@H](Cc2nc(C)c(C)s2)[NH2+]C)C1 ZINC000094974597 184909386 /nfs/dbraw/zinc/90/93/86/184909386.db2.gz WVWHHKMKRWVFLG-KGLIPLIRSA-N 1 0 297.468 2.001 10 0 CEAERO CCC[C@@H]1C[NH2+]CCN1Cc1nc(C)c(C)s1 ZINC000094979254 184909991 /nfs/dbraw/zinc/90/99/91/184909991.db2.gz YZBNKNGRVNCFKM-GFCCVEGCSA-N 1 0 253.415 2.334 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@@H](C)CN1Cc1nc(C)cs1 ZINC000094979379 184910064 /nfs/dbraw/zinc/91/00/64/184910064.db2.gz LUSLNGUQIKXIKU-GWCFXTLKSA-N 1 0 253.415 2.414 10 0 CEAERO c1csc(CN2CC[NH2+]C[C@@H]2Cc2ccccc2)n1 ZINC000094979299 184910070 /nfs/dbraw/zinc/91/00/70/184910070.db2.gz DDWVNDOEXYOFDE-AWEZNQCLSA-N 1 0 273.405 2.160 10 0 CEAERO CCC[NH2+]Cc1cnn(Cc2nccs2)c1C ZINC000094978734 184910094 /nfs/dbraw/zinc/91/00/94/184910094.db2.gz ZTGOZNTZSQRQDG-UHFFFAOYSA-N 1 0 250.371 2.196 10 0 CEAERO CC(C)C[C@@H]1C[NH2+][C@@H](C)CN1Cc1nccs1 ZINC000094979445 184910188 /nfs/dbraw/zinc/91/01/88/184910188.db2.gz ZSZANIXZCUPVAJ-NWDGAFQWSA-N 1 0 253.415 2.352 10 0 CEAERO COC[C@@H](C)CC(=O)N[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC000095036644 184920704 /nfs/dbraw/zinc/92/07/04/184920704.db2.gz BBIRVFKWRKOJRT-KBPBESRZSA-N 1 0 282.428 2.230 10 0 CEAERO CCN(C(=O)Cc1c(F)cccc1F)[C@@H]1CCC[C@H]1C[NH3+] ZINC000095047021 184924427 /nfs/dbraw/zinc/92/44/27/184924427.db2.gz YINSBVNPNHVCFP-XHDPSFHLSA-N 1 0 296.361 2.483 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1CNC(=O)Cc1ccc(F)c(F)c1 ZINC000095061957 184926687 /nfs/dbraw/zinc/92/66/87/184926687.db2.gz KBZFTWIFGGXTRU-FZMZJTMJSA-N 1 0 282.334 2.141 10 0 CEAERO CNc1nc2ccccc2nc1OC[C@H]1CCCC[NH2+]1 ZINC000095071403 184932791 /nfs/dbraw/zinc/93/27/91/184932791.db2.gz HFBNMCAPRMTYRI-LLVKDONJSA-N 1 0 272.352 2.192 10 0 CEAERO O=C(COCCC[C@@H]1CCCC[NH2+]1)c1ccccn1 ZINC000095072947 184934372 /nfs/dbraw/zinc/93/43/72/184934372.db2.gz GPORAOYIHXYFSV-ZDUSSCGKSA-N 1 0 262.353 2.203 10 0 CEAERO COc1ccc(C[C@@H]2COCC[C@@H]2[NH2+]C2CC2)cc1 ZINC000095076261 184935538 /nfs/dbraw/zinc/93/55/38/184935538.db2.gz PAYCPZVADQCWQQ-CJNGLKHVSA-N 1 0 261.365 2.395 10 0 CEAERO CCC[NH2+][C@@H](Cc1ncnn1C)c1cscc1C ZINC000094864562 184883975 /nfs/dbraw/zinc/88/39/75/184883975.db2.gz FJRIQQKKHPVAGU-LBPRGKRZSA-N 1 0 264.398 2.468 10 0 CEAERO CCN(Cc1cccc(C)n1)C(=O)[C@H](C[NH3+])CC(C)C ZINC000094914646 184891765 /nfs/dbraw/zinc/89/17/65/184891765.db2.gz RQCSUURKMUOMKQ-AWEZNQCLSA-N 1 0 277.412 2.360 10 0 CEAERO CCN(Cc1ccccn1)C(=O)[C@@H](C[NH3+])CC(C)C ZINC000094914902 184892137 /nfs/dbraw/zinc/89/21/37/184892137.db2.gz WHOCGRFWYXTTJP-CYBMUJFWSA-N 1 0 263.385 2.051 10 0 CEAERO C[NH2+]CCc1nnc(-c2ccc(C)cc2F)s1 ZINC000094925679 184894910 /nfs/dbraw/zinc/89/49/10/184894910.db2.gz ZWWZCZLVYFZPPF-UHFFFAOYSA-N 1 0 251.330 2.415 10 0 CEAERO CCNc1cc(C)ccc1C(=O)NCC[NH+]1CCCC1 ZINC000094928608 184895143 /nfs/dbraw/zinc/89/51/43/184895143.db2.gz WMKOXJGDXCLRKO-UHFFFAOYSA-N 1 0 275.396 2.252 10 0 CEAERO CCN(CC)C(=O)c1cc(N[C@@H](C)CCC[NH3+])ccn1 ZINC000094948158 184902016 /nfs/dbraw/zinc/90/20/16/184902016.db2.gz HLIMXDYAHATAAF-LBPRGKRZSA-N 1 0 278.400 2.103 10 0 CEAERO CCC[C@H](CC[NH3+])CCC(=O)NC[C@@H](CC)CCO ZINC000094955787 184902718 /nfs/dbraw/zinc/90/27/18/184902718.db2.gz HYBVTYARQAHLKL-KBPBESRZSA-N 1 0 272.433 2.057 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)C2CC[NH2+]CC2)cc1F ZINC000094956434 184903414 /nfs/dbraw/zinc/90/34/14/184903414.db2.gz WLABSYPCAMELKF-NSHDSACASA-N 1 0 264.344 2.311 10 0 CEAERO CO[C@H](C)C[NH2+]Cc1cnc2c(cnn2C(C)C)c1 ZINC000191142957 130189971 /nfs/dbraw/zinc/18/99/71/130189971.db2.gz QFEGBEHASFXBFA-LLVKDONJSA-N 1 0 262.357 2.137 10 0 CEAERO CCc1ccc(CCNC(=O)[C@H]2CC[C@H]([NH3+])C2)cc1 ZINC000237169326 131010342 /nfs/dbraw/zinc/01/03/42/131010342.db2.gz ZJIZGAMECIPXCV-GJZGRUSLSA-N 1 0 260.381 2.035 10 0 CEAERO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@H](C)[C@H]2CCCO2)c1 ZINC000249685201 131123136 /nfs/dbraw/zinc/12/31/36/131123136.db2.gz MHKQNVVGHLDRMS-BZUAXINKSA-N 1 0 293.407 2.200 10 0 CEAERO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000262730762 131256749 /nfs/dbraw/zinc/25/67/49/131256749.db2.gz BLMYOIPEQFUHNC-VRKREXBASA-N 1 0 272.392 2.307 10 0 CEAERO Cc1nnc(N2CCC(C(N)=[NH2+])CC2)c2ccccc12 ZINC000079843268 134493166 /nfs/dbraw/zinc/49/31/66/134493166.db2.gz GKESTGMSSFMKCV-UHFFFAOYSA-N 1 0 269.352 2.091 10 0 CEAERO C[NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000037537158 134844761 /nfs/dbraw/zinc/84/47/61/134844761.db2.gz DULJIDTWOCSMAM-UHFFFAOYSA-N 1 0 259.275 2.289 10 0 CEAERO Cc1c[nH+]ccc1N1CCN(c2cccc(N)c2)CC1 ZINC000070489796 134950589 /nfs/dbraw/zinc/95/05/89/134950589.db2.gz WBPUYTZJWOKCHE-UHFFFAOYSA-N 1 0 268.364 2.299 10 0 CEAERO CC[C@@H]1CN(c2ccccc2OC(F)F)CC[NH2+]1 ZINC000083415138 135020072 /nfs/dbraw/zinc/02/00/72/135020072.db2.gz UINJRXKPWOLLPI-SNVBAGLBSA-N 1 0 256.296 2.476 10 0 CEAERO C[C@@H]1CN(c2ccc(Br)c(F)c2)CC[NH2+]1 ZINC000083536285 135027215 /nfs/dbraw/zinc/02/72/15/135027215.db2.gz WNVVXBCPBAXESY-MRVPVSSYSA-N 1 0 273.149 2.386 10 0 CEAERO Cc1ccc2c(c1)CCCN2C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085357305 135036441 /nfs/dbraw/zinc/03/64/41/135036441.db2.gz JOXAORJVGPJFMX-KGLIPLIRSA-N 1 0 258.365 2.402 10 0 CEAERO C[C@]1(c2ccccc2)CN(c2cccnc2)CC[NH2+]1 ZINC000086122152 135038654 /nfs/dbraw/zinc/03/86/54/135038654.db2.gz NMKKPDICFFLKFE-MRXNPFEDSA-N 1 0 253.349 2.407 10 0 CEAERO FC(F)Oc1ccccc1N1CC[NH2+][C@@H](C2CC2)C1 ZINC000086127150 135039148 /nfs/dbraw/zinc/03/91/48/135039148.db2.gz LKNDEOSOXNXJQJ-LLVKDONJSA-N 1 0 268.307 2.476 10 0 CEAERO Fc1ccc(N2CC[NH2+][C@@H](C3CC3)C2)c(F)c1F ZINC000086123411 135039211 /nfs/dbraw/zinc/03/92/11/135039211.db2.gz JCJYBGZZXWEBTD-SNVBAGLBSA-N 1 0 256.271 2.292 10 0 CEAERO COCc1ccccc1N1C[C@@H](C2CC2)[NH2+]C[C@@H]1C ZINC000086225979 135039641 /nfs/dbraw/zinc/03/96/41/135039641.db2.gz DEXUTZLJAWODPP-WFASDCNBSA-N 1 0 260.381 2.410 10 0 CEAERO C[C@H]1C[NH2+][C@@H](C2CC2)CN1c1ccc(N(C)C)cc1 ZINC000086219023 135039904 /nfs/dbraw/zinc/03/99/04/135039904.db2.gz RDUCPYBNVNSWMO-BLLLJJGKSA-N 1 0 259.397 2.329 10 0 CEAERO CN1c2ccc([C@H]([NH3+])C[C@H]3CCCO3)cc2CCC1=O ZINC000087215154 135049044 /nfs/dbraw/zinc/04/90/44/135049044.db2.gz XZDVWLAFYRWQFK-ZIAGYGMSSA-N 1 0 274.364 2.165 10 0 CEAERO c1cc(N2CCC[C@@H]3CCC[C@@H]32)nnc1C[NH2+]C1CC1 ZINC000087783584 135051349 /nfs/dbraw/zinc/05/13/49/135051349.db2.gz WQYLTILPMMFIPD-WFASDCNBSA-N 1 0 272.396 2.498 10 0 CEAERO NC(=[NH2+])c1cccnc1N1CCC[C@H](C(F)(F)F)C1 ZINC000088421413 135054847 /nfs/dbraw/zinc/05/48/47/135054847.db2.gz WRHOSZATAXGIJW-QMMMGPOBSA-N 1 0 272.274 2.144 10 0 CEAERO CC[NH2+]C[C@@H]1CCCN(c2cc(CC)nc(C)n2)C1 ZINC000088760866 135057128 /nfs/dbraw/zinc/05/71/28/135057128.db2.gz IBQWGSPUYJHKNP-ZDUSSCGKSA-N 1 0 262.401 2.173 10 0 CEAERO CCc1cc(N2CCC([C@@H](C)[NH2+]C)CC2)nc(C)n1 ZINC000088759720 135057171 /nfs/dbraw/zinc/05/71/71/135057171.db2.gz SJUWEQHOWKHEAD-LLVKDONJSA-N 1 0 262.401 2.172 10 0 CEAERO CC(C)C[C@](C)(O)C[NH2+][C@H]1CC(=O)N(C)c2ccccc21 ZINC000090267328 135062883 /nfs/dbraw/zinc/06/28/83/135062883.db2.gz SEEFGTZMOFIGQL-YOEHRIQHSA-N 1 0 290.407 2.481 10 0 CEAERO CCC[NH2+]C[C@H]1CCCN(c2cc(OC(C)C)ncn2)C1 ZINC000090786398 135064834 /nfs/dbraw/zinc/06/48/34/135064834.db2.gz RFZDFCSRHGEYMU-CQSZACIVSA-N 1 0 292.427 2.480 10 0 CEAERO CC[NH2+]C[C@H]1CCCCN1c1cc(OC(C)C)ncn1 ZINC000090786390 135065148 /nfs/dbraw/zinc/06/51/48/135065148.db2.gz XVONYZZFWAPCGW-CYBMUJFWSA-N 1 0 278.400 2.232 10 0 CEAERO CC(C)C[NH2+]Cc1cc(N2C[C@H]3CC[C@@H](C2)O3)ccn1 ZINC000090907762 135066452 /nfs/dbraw/zinc/06/64/52/135066452.db2.gz AKKSWWOODJDXID-IYBDPMFKSA-N 1 0 275.396 2.195 10 0 CEAERO Cc1cc(N2C[C@H]3CC[C@@H](C2)O3)ccc1C[C@@H](C)[NH3+] ZINC000090908263 135066501 /nfs/dbraw/zinc/06/65/01/135066501.db2.gz KXLBBPSKBLSYCN-WQVCFCJDSA-N 1 0 260.381 2.252 10 0 CEAERO Cc1cc(N2C[C@H]3CC[C@@H](C2)O3)ccc1C[C@H](C)[NH3+] ZINC000090908264 135066795 /nfs/dbraw/zinc/06/67/95/135066795.db2.gz KXLBBPSKBLSYCN-VBNZEHGJSA-N 1 0 260.381 2.252 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(c2ccc(N)c3cccnc32)C1 ZINC000091394174 135068922 /nfs/dbraw/zinc/06/89/22/135068922.db2.gz QYUNBJOKSDLEDZ-GFCCVEGCSA-N 1 0 270.380 2.347 10 0 CEAERO CCOc1cc(N2CCC[C@H]([NH+](C)C)C2)c(N)cc1F ZINC000091394452 135069102 /nfs/dbraw/zinc/06/91/02/135069102.db2.gz JANUBZQLGBFBSW-NSHDSACASA-N 1 0 281.375 2.337 10 0 CEAERO CC[C@@H]1CO[C@@H](C)CN1c1cncc(C[NH2+]C(C)(C)C)n1 ZINC000091420723 135069332 /nfs/dbraw/zinc/06/93/32/135069332.db2.gz TYQNVQJJWSCUMT-GXTWGEPZSA-N 1 0 292.427 2.368 10 0 CEAERO C[C@@H]1C[C@H](C)CN(c2cncc(C[NH2+]C3CC3)n2)C1 ZINC000091418837 135069421 /nfs/dbraw/zinc/06/94/21/135069421.db2.gz ZCQSXLLUEZVXOG-TXEJJXNPSA-N 1 0 260.385 2.211 10 0 CEAERO CC[NH2+]Cc1cncc(N2CCC(C(F)(F)F)CC2)n1 ZINC000091422136 135069847 /nfs/dbraw/zinc/06/98/47/135069847.db2.gz RESLQBUMIPGWLG-UHFFFAOYSA-N 1 0 288.317 2.365 10 0 CEAERO CCC[NH2+]Cc1cncc(N2C[C@@H](C)S[C@@H](C)C2)n1 ZINC000091421886 135070008 /nfs/dbraw/zinc/07/00/08/135070008.db2.gz AQJDMUQIJYBQSK-TXEJJXNPSA-N 1 0 280.441 2.306 10 0 CEAERO CSC1(C[NH3+])CCN(c2cccc(C)n2)CC1 ZINC000091470763 135070596 /nfs/dbraw/zinc/07/05/96/135070596.db2.gz RZTYVZFTWVIXPA-UHFFFAOYSA-N 1 0 251.399 2.051 10 0 CEAERO Cc1cnc(Cl)nc1N1CC[NH+](C(C)(C)C)CC1 ZINC000091658376 135072725 /nfs/dbraw/zinc/07/27/25/135072725.db2.gz PXSRMBBDJDOBQB-UHFFFAOYSA-N 1 0 268.792 2.359 10 0 CEAERO CC[C@@H]1CO[C@H](C)CN1c1cccc(F)c1C[NH3+] ZINC000093395228 135080518 /nfs/dbraw/zinc/08/05/18/135080518.db2.gz ZNYPUEZHHUFQAC-GHMZBOCLSA-N 1 0 252.333 2.288 10 0 CEAERO [NH3+][C@]1(CO)CCC[C@H]1CCN1CCCc2ccccc21 ZINC000093616494 135081549 /nfs/dbraw/zinc/08/15/49/135081549.db2.gz XNPZTVFJARUODE-RDJZCZTQSA-N 1 0 274.408 2.319 10 0 CEAERO CC[C@H]1CN(c2ccc(C(C)=O)c(O)c2)CC[N@@H+]1C ZINC000093669542 135082136 /nfs/dbraw/zinc/08/21/36/135082136.db2.gz XROFQLHHCCDFOI-LBPRGKRZSA-N 1 0 262.353 2.125 10 0 CEAERO [NH3+]C1CCC(Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000094075122 135083189 /nfs/dbraw/zinc/08/31/89/135083189.db2.gz ZAORQIKHHPVCOE-UHFFFAOYSA-N 1 0 275.396 2.205 10 0 CEAERO CC[C@](C)([NH3+])C(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000094231624 135084586 /nfs/dbraw/zinc/08/45/86/135084586.db2.gz OOFCXSKHBDIZNW-HNNXBMFYSA-N 1 0 295.814 2.116 10 0 CEAERO COCC[NH2+]C[C@@H]1CCCN(c2ccncc2Cl)C1 ZINC000094272881 135086016 /nfs/dbraw/zinc/08/60/16/135086016.db2.gz VTXISBLXOACKKX-LBPRGKRZSA-N 1 0 283.803 2.187 10 0 CEAERO Fc1cccc2c1ncnc2N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000302660905 394477312 /nfs/dbraw/zinc/47/73/12/394477312.db2.gz IHIGSILFBKMYQW-GFCCVEGCSA-N 1 0 286.354 2.443 10 0 CEAERO Cc1ccsc1C[N@@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000245749986 394504716 /nfs/dbraw/zinc/50/47/16/394504716.db2.gz NQIWAULYWKGEGY-KBPBESRZSA-N 1 0 280.437 2.209 10 0 CEAERO Cc1cc(C(=O)C[N@@H+]2CCC[C@H]2CCCO)c(C)n1C ZINC000052761277 394558253 /nfs/dbraw/zinc/55/82/53/394558253.db2.gz WQAOTEFSNUWYMY-AWEZNQCLSA-N 1 0 278.396 2.062 10 0 CEAERO Fc1cccc(Cc2noc(C[C@@H]3CCC[NH2+]C3)n2)c1 ZINC000054301491 394559894 /nfs/dbraw/zinc/55/98/94/394559894.db2.gz ODKVFEKHYBBQCA-LBPRGKRZSA-N 1 0 275.327 2.342 10 0 CEAERO CC(C)[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000251367916 394567616 /nfs/dbraw/zinc/56/76/16/394567616.db2.gz WOXKKAMBUHKYBI-XUXIUFHCSA-N 1 0 252.402 2.445 10 0 CEAERO C[C@H](O)CN1CC[N@@H+]([C@@H]2CCCc3ccccc32)C[C@@H]1C ZINC000247545157 394532351 /nfs/dbraw/zinc/53/23/51/394532351.db2.gz DKVFBWRLWPERIN-RLFYNMQTSA-N 1 0 288.435 2.451 10 0 CEAERO CCOCCN1CC[N@H+](C[C@H]2CCC(C)(C)O2)C[C@H]1CC ZINC000248539357 394542317 /nfs/dbraw/zinc/54/23/17/394542317.db2.gz AQJGJZRWWGZGEF-HZPDHXFCSA-N 1 0 298.471 2.377 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@H]1CC2(CCC2)C(=O)O1 ZINC000248817302 394547440 /nfs/dbraw/zinc/54/74/40/394547440.db2.gz DUQNVTQAFICTRT-QLFBSQMISA-N 1 0 292.423 2.031 10 0 CEAERO O=c1ccccn1CC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000328295205 394551642 /nfs/dbraw/zinc/55/16/42/394551642.db2.gz VYCZTUHQKIIMEJ-UHFFFAOYSA-N 1 0 272.392 2.263 10 0 CEAERO CCN1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000328132417 394551921 /nfs/dbraw/zinc/55/19/21/394551921.db2.gz ARTKZZCRLRUCOF-UONOGXRCSA-N 1 0 297.443 2.070 10 0 CEAERO CC[C@@](C)(O)C[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000249342983 394554060 /nfs/dbraw/zinc/55/40/60/394554060.db2.gz JFNGNZNTDNQWNT-DLBZAZTESA-N 1 0 277.408 2.481 10 0 CEAERO Cc1nc(N2C[C@H](C)[NH2+]C[C@H]2C)ccc1Br ZINC000261534479 394601902 /nfs/dbraw/zinc/60/19/02/394601902.db2.gz RAGYDGSKJKTTCV-DTWKUNHWSA-N 1 0 284.201 2.339 10 0 CEAERO C[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)c2cccc(F)c2O1 ZINC000261914557 394609549 /nfs/dbraw/zinc/60/95/49/394609549.db2.gz JPRZKECJDNVJNA-VXGBXAGGSA-N 1 0 264.344 2.413 10 0 CEAERO Cc1nc(Cl)cc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1 ZINC000083550664 394640345 /nfs/dbraw/zinc/64/03/45/394640345.db2.gz ODCXTIYIEILYAS-ONGXEEELSA-N 1 0 266.776 2.111 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1ncc(Cl)cn1 ZINC000267319791 394676120 /nfs/dbraw/zinc/67/61/20/394676120.db2.gz YTQHYHRDYGFDRI-NEPJUHHUSA-N 1 0 266.776 2.193 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc2c(c1)OCCO2 ZINC000113271422 394748223 /nfs/dbraw/zinc/74/82/23/394748223.db2.gz ZFWXEJATWJTJNN-DZGCQCFKSA-N 1 0 288.391 2.126 10 0 CEAERO C[C@H]1CN(c2ncc(Br)cc2Cl)CC[NH2+]1 ZINC000114822639 394752257 /nfs/dbraw/zinc/75/22/57/394752257.db2.gz NFWOQVVKYUHCIW-ZETCQYMHSA-N 1 0 290.592 2.296 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]2CSC)C1 ZINC000121473224 394798382 /nfs/dbraw/zinc/79/83/82/394798382.db2.gz YAYWEBRIPBMKAC-QWHCGFSZSA-N 1 0 285.457 2.008 10 0 CEAERO [NH3+]C[C@@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 ZINC000131671961 394916080 /nfs/dbraw/zinc/91/60/80/394916080.db2.gz JLHYDSQWVJYATC-NSHDSACASA-N 1 0 253.733 2.295 10 0 CEAERO CC(=O)N[C@@H]1CCC[N@@H+](CCCSCC(C)C)C1 ZINC000132480723 394931184 /nfs/dbraw/zinc/93/11/84/394931184.db2.gz YVWLORVPBQDEMV-CQSZACIVSA-N 1 0 272.458 2.366 10 0 CEAERO CCC[C@H](C(=O)NC[C@H]1CCOc2ccccc21)[NH+](C)C ZINC000154172299 395021392 /nfs/dbraw/zinc/02/13/92/395021392.db2.gz BSRSZEUEENFBBO-UKRRQHHQSA-N 1 0 290.407 2.399 10 0 CEAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1cc(C(=O)OC)c(C)n1C ZINC000291318812 395124111 /nfs/dbraw/zinc/12/41/11/395124111.db2.gz YPBJFSQHGBAEIA-FZMZJTMJSA-N 1 0 264.369 2.398 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCCC2(C)C)C1 ZINC000176689664 395142347 /nfs/dbraw/zinc/14/23/47/395142347.db2.gz WFROSAUYJQHLLV-OLZOCXBDSA-N 1 0 267.417 2.299 10 0 CEAERO CCn1cncc1C[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000418036659 395177962 /nfs/dbraw/zinc/17/79/62/395177962.db2.gz FVDLBQOURKZARR-VXGBXAGGSA-N 1 0 251.374 2.196 10 0 CEAERO CCN(C(=O)C[N@@H+]1C[C@H](O)CC[C@H]1C)C1CCCCC1 ZINC000399469702 395245171 /nfs/dbraw/zinc/24/51/71/395245171.db2.gz MEWHUSANMIQHOW-UKRRQHHQSA-N 1 0 282.428 2.013 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)N(C)CCOCc1ccccc1 ZINC000384065893 395188872 /nfs/dbraw/zinc/18/88/72/395188872.db2.gz HXJIYBAAIYZZCI-OAHLLOKOSA-N 1 0 278.396 2.035 10 0 CEAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCc3occc31)CC2 ZINC000192984145 395398284 /nfs/dbraw/zinc/39/82/84/395398284.db2.gz XXHNPZDHIBNGPH-DGCLKSJQSA-N 1 0 286.379 2.416 10 0 CEAERO C[C@@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)c1cccc(Br)c1 ZINC000647942576 395781427 /nfs/dbraw/zinc/78/14/27/395781427.db2.gz LSVBSDMTLYYILQ-UISBYWKRSA-N 1 0 297.196 2.364 10 0 CEAERO C[C@H](CNC(=O)C1CCC([NH3+])CC1)Oc1ccccc1 ZINC000647994766 395798158 /nfs/dbraw/zinc/79/81/58/395798158.db2.gz PKICDPKBDUGFIA-IYXRBSQSSA-N 1 0 276.380 2.088 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCC(c2nccs2)CC1 ZINC000649317225 396119456 /nfs/dbraw/zinc/11/94/56/396119456.db2.gz TYBSETXJGPMGHB-STQMWFEESA-N 1 0 293.436 2.224 10 0 CEAERO CC(C)OC1CCC(NC(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000649375507 396133003 /nfs/dbraw/zinc/13/30/03/396133003.db2.gz DEHSTQWADDSXEG-XUJLQICISA-N 1 0 282.428 2.371 10 0 CEAERO CC(C)OC1CCC(NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000649375593 396133178 /nfs/dbraw/zinc/13/31/78/396133178.db2.gz HQDLPQHDWGAYHT-XSCHDIRWSA-N 1 0 282.428 2.227 10 0 CEAERO COC(C)(C)C[C@H](C)NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247327580 292073023 /nfs/dbraw/zinc/07/30/23/292073023.db2.gz MVDCHSVBMZFAPB-HZSPNIEDSA-N 1 0 299.459 2.218 10 0 CEAERO Cc1cc(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)c(C)s1 ZINC000647016886 396404118 /nfs/dbraw/zinc/40/41/18/396404118.db2.gz AEUZDCNETPRNON-BXKDBHETSA-N 1 0 252.383 2.235 10 0 CEAERO Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261701463 292086880 /nfs/dbraw/zinc/08/68/80/292086880.db2.gz INNCIQVMPNWMRU-CQSZACIVSA-N 1 0 296.436 2.051 10 0 CEAERO CN(Cc1cccs1)C(=O)C1CCC([NH3+])CC1 ZINC000037626250 400117676 /nfs/dbraw/zinc/11/76/76/400117676.db2.gz SHZZKGCPJABHBC-UHFFFAOYSA-N 1 0 252.383 2.224 10 0 CEAERO [NH3+]C1CCC(C(=O)N2CCO[C@@H](c3ccccc3)C2)CC1 ZINC000037818414 400119954 /nfs/dbraw/zinc/11/99/54/400119954.db2.gz CVDWQDFTPHTSFT-UYSNPLJNSA-N 1 0 288.391 2.104 10 0 CEAERO [NH3+]C1CCC(C(=O)N[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000044678742 400146254 /nfs/dbraw/zinc/14/62/54/400146254.db2.gz DAVDKVGXQZFROK-PFSRBDOWSA-N 1 0 258.365 2.176 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccccc2OC)C1 ZINC000048768882 400210835 /nfs/dbraw/zinc/21/08/35/400210835.db2.gz LMAJYWXMAMHUTH-GFCCVEGCSA-N 1 0 277.368 2.301 10 0 CEAERO COc1ccc2c(c1OC)CCO[C@@H]2C[NH2+]C(C)C ZINC000196415105 400295561 /nfs/dbraw/zinc/29/55/61/400295561.db2.gz AGUOGARRXQPGTN-CQSZACIVSA-N 1 0 265.353 2.316 10 0 CEAERO CC(C)([NH3+])[C@@H](O)c1cscc1Br ZINC000306334937 400332844 /nfs/dbraw/zinc/33/28/44/400332844.db2.gz AEKIUEUOYODHNQ-ZETCQYMHSA-N 1 0 250.161 2.281 10 0 CEAERO C[C@@H](COCc1ccccc1)NC(=O)CCC(C)(C)[NH3+] ZINC000390719354 400540640 /nfs/dbraw/zinc/54/06/40/400540640.db2.gz DXFTVUNUQLBXHY-ZDUSSCGKSA-N 1 0 278.396 2.225 10 0 CEAERO CC(C)CC1(CNC(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000392122163 400543247 /nfs/dbraw/zinc/54/32/47/400543247.db2.gz WYJBAVQVGFQPRI-STQMWFEESA-N 1 0 252.402 2.304 10 0 CEAERO CCC[C@@H]([NH2+]C1CCN(CCO)CC1)C1CCC1 ZINC000399004329 400563032 /nfs/dbraw/zinc/56/30/32/400563032.db2.gz VZJACISKZRSHSP-OAHLLOKOSA-N 1 0 254.418 2.002 10 0 CEAERO Cc1ncn([C@H](C[NH3+])C(F)(F)C(F)(F)F)c1C ZINC000616568483 400668998 /nfs/dbraw/zinc/66/89/98/400668998.db2.gz AVPPNMVPIXDYOP-SSDOTTSWSA-N 1 0 257.206 2.197 10 0 CEAERO CC(C)(C)c1noc([C@@H]2C[NH2+]C[C@H]2C(F)(F)F)n1 ZINC000650225910 400841236 /nfs/dbraw/zinc/84/12/36/400841236.db2.gz ZWHPYHJCFHUVKH-RNFRBKRXSA-N 1 0 263.263 2.232 10 0 CEAERO COCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(C)c1 ZINC000157325300 289211686 /nfs/dbraw/zinc/21/16/86/289211686.db2.gz CGERPRMZEAPFLC-UONOGXRCSA-N 1 0 278.396 2.187 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccccc1N(C)C ZINC000247535457 297100864 /nfs/dbraw/zinc/10/08/64/297100864.db2.gz OPGAFLPOQOEYJH-ZBFHGGJFSA-N 1 0 273.424 2.421 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)SC)C12CCOCC2 ZINC000186429721 286282896 /nfs/dbraw/zinc/28/28/96/286282896.db2.gz JXUNRYQFENAYPI-JHJVBQTASA-N 1 0 273.442 2.302 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](C)CN1c1ccncc1Br ZINC000163721108 297114608 /nfs/dbraw/zinc/11/46/08/297114608.db2.gz KUONELCCUBNFJO-DTWKUNHWSA-N 1 0 270.174 2.031 10 0 CEAERO COCCC1CC[NH+](C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000528580799 297839005 /nfs/dbraw/zinc/83/90/05/297839005.db2.gz IABBKMJRAIWKRS-LSDHHAIUSA-N 1 0 255.402 2.286 10 0 CEAERO Fc1ccc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)cn1 ZINC000188401903 153054747 /nfs/dbraw/zinc/05/47/47/153054747.db2.gz DHZDPNVOTOPDSZ-CYBMUJFWSA-N 1 0 260.316 2.082 10 0 CEAERO C[C@H](CCNC(=O)[C@@H]1CCCO[C@H]1C)[NH+]1CCCCC1 ZINC000190199101 153121973 /nfs/dbraw/zinc/12/19/73/153121973.db2.gz TWQZZTUYIJQFPH-QLFBSQMISA-N 1 0 282.428 2.182 10 0 CEAERO CC(C)n1nnnc1C[N@H+](C)[C@H]1CCCC[C@H]1C ZINC000195061161 153272151 /nfs/dbraw/zinc/27/21/51/153272151.db2.gz QEFRUOHZUBPQGU-NEPJUHHUSA-N 1 0 251.378 2.265 10 0 CEAERO O=C(CCn1ccc2ccccc21)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195323367 153280249 /nfs/dbraw/zinc/28/02/49/153280249.db2.gz RVLFGHCPNZBYOP-INIZCTEOSA-N 1 0 297.402 2.338 10 0 CEAERO COC(=O)c1ccc(C[NH+]2CCC(c3cc[nH]n3)CC2)o1 ZINC000195506500 153293941 /nfs/dbraw/zinc/29/39/41/153293941.db2.gz OWXFHMJUSOPSBC-UHFFFAOYSA-N 1 0 289.335 2.169 10 0 CEAERO COCCOCCC[NH2+][C@@H]1C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21 ZINC000216405496 153295795 /nfs/dbraw/zinc/29/57/95/153295795.db2.gz AKHZHNUJGVHGOZ-YIDVYQOGSA-N 1 0 267.413 2.454 10 0 CEAERO CSC[C@](C)(O)C[NH2+][C@@H]1CCc2ccccc21 ZINC000223783428 153317333 /nfs/dbraw/zinc/31/73/33/153317333.db2.gz NHMYVMGZGMREBW-ZIAGYGMSSA-N 1 0 251.395 2.378 10 0 CEAERO Cc1ccc(-c2nnc(C[N@@H+]3CC[C@@H](CCO)C3)o2)cc1 ZINC000227573151 153346200 /nfs/dbraw/zinc/34/62/00/153346200.db2.gz YUFKZOYSVULSJU-ZDUSSCGKSA-N 1 0 287.363 2.249 10 0 CEAERO Cc1csc(NC(=O)[C@@H]([NH3+])c2ccc(C)cc2)n1 ZINC000228074658 153354411 /nfs/dbraw/zinc/35/44/11/153354411.db2.gz 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Cn1cc([C@@H]2CCC[N@@H+]2CCO[C@@H]2CCCCO2)cn1 ZINC000181682954 165352448 /nfs/dbraw/zinc/35/24/48/165352448.db2.gz YXDQWHJJAGLRTN-LSDHHAIUSA-N 1 0 279.384 2.100 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H](C)C1CC1 ZINC000245475301 287223064 /nfs/dbraw/zinc/22/30/64/287223064.db2.gz RUZOACDSFKYCCJ-MRVWCRGKSA-N 1 0 250.386 2.118 10 0 CEAERO C[C@]12C[C@H](CC(C)(C)C1)N(C(=O)C1CC[NH2+]CC1)C2 ZINC000005915110 170154743 /nfs/dbraw/zinc/15/47/43/170154743.db2.gz WORCPXNHAOZZDZ-BBRMVZONSA-N 1 0 264.413 2.413 10 0 CEAERO COc1ccc(OC)c([C@H](C[NH3+])N(C)C(C)C)c1 ZINC000019260299 170761812 /nfs/dbraw/zinc/76/18/12/170761812.db2.gz SRRGMQJAAQUSMY-ZDUSSCGKSA-N 1 0 252.358 2.044 10 0 CEAERO COc1cc(C)ccc1O[C@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000019394864 170782632 /nfs/dbraw/zinc/78/26/32/170782632.db2.gz OWXRLFJCISEGQJ-WFASDCNBSA-N 1 0 293.363 2.005 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCc2sccc2C1 ZINC000019441481 170802848 /nfs/dbraw/zinc/80/28/48/170802848.db2.gz WLRIHJDLEAUPBR-BXKDBHETSA-N 1 0 252.383 2.006 10 0 CEAERO C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CCC[C@@H](C)[NH2+]1 ZINC000019474290 170806427 /nfs/dbraw/zinc/80/64/27/170806427.db2.gz QAYSXIZJWVUDLV-DYEKYZERSA-N 1 0 258.365 2.495 10 0 CEAERO COc1cccc(C(=O)Nc2ccc(C[NH3+])cc2)c1OC ZINC000019474318 170807040 /nfs/dbraw/zinc/80/70/40/170807040.db2.gz TWWDMHDNWUBABY-UHFFFAOYSA-N 1 0 286.331 2.415 10 0 CEAERO CC[C@@H](C)c1ccccc1O[C@@H](C)C(=O)N1CC[NH2+]CC1 ZINC000019505804 170818071 /nfs/dbraw/zinc/81/80/71/170818071.db2.gz WIRGNSJZNSYRJF-KGLIPLIRSA-N 1 0 290.407 2.399 10 0 CEAERO C[C@H]1CCC[C@H](C(=O)Nc2ccc(F)c(F)c2)[NH2+]1 ZINC000019516774 170823192 /nfs/dbraw/zinc/82/31/92/170823192.db2.gz GGQJKXSHBJZDDM-QPUJVOFHSA-N 1 0 254.280 2.434 10 0 CEAERO C[C@H]1C[C@H]([NH2+]CCN2CCOCC2)CC(C)(C)C1 ZINC000019954895 170941108 /nfs/dbraw/zinc/94/11/08/170941108.db2.gz UXBQSTUDMQNZHQ-KBPBESRZSA-N 1 0 254.418 2.123 10 0 CEAERO CN(C)C[C@H]([NH2+][C@@H]1CCSC1)c1ccccc1 ZINC000020129269 171017582 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171181675 /nfs/dbraw/zinc/18/16/75/171181675.db2.gz JUXDCAJHFZSHAC-ZDUSSCGKSA-N 1 0 250.386 2.252 10 0 CEAERO CCN(CC)C(=O)[C@@H](C)Oc1ccccc1[C@@H](C)[NH3+] ZINC000020419372 171184134 /nfs/dbraw/zinc/18/41/34/171184134.db2.gz YRCNLFVXKOOTQG-VXGBXAGGSA-N 1 0 264.369 2.342 10 0 CEAERO C[C@@H](Oc1cccc([C@H](C)[NH3+])c1)C(=O)NC(C)(C)C ZINC000020419813 171185353 /nfs/dbraw/zinc/18/53/53/171185353.db2.gz OHWXCVNGJAJQAC-WDEREUQCSA-N 1 0 264.369 2.388 10 0 CEAERO CCN(Cc1ccccc1)c1ccc(C(N)=[NH2+])cn1 ZINC000020486481 171226236 /nfs/dbraw/zinc/22/62/36/171226236.db2.gz QUUVFEXIQCIOAT-UHFFFAOYSA-N 1 0 254.337 2.392 10 0 CEAERO CCOC(=O)[C@@H](C[NH3+])Cc1ccccc1C(F)(F)F ZINC000020580358 171256993 /nfs/dbraw/zinc/25/69/93/171256993.db2.gz PHHYJBBLAFPGDQ-SNVBAGLBSA-N 1 0 275.270 2.386 10 0 CEAERO COc1cc([C@H]2C[C@@H]2[C@@H](C)[NH3+])cc(OC)c1OC ZINC000020594451 171263271 /nfs/dbraw/zinc/26/32/71/171263271.db2.gz UBRKUULMDRJAIX-FBIMIBRVSA-N 1 0 251.326 2.163 10 0 CEAERO CCn1ncc(C[NH2+][C@H]2COc3ccccc3C2)c1C ZINC000020784593 171272421 /nfs/dbraw/zinc/27/24/21/171272421.db2.gz WDIXXPIOQVWQOW-OAHLLOKOSA-N 1 0 271.364 2.305 10 0 CEAERO CCC(C)(C)NS(=O)(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000021060798 171297209 /nfs/dbraw/zinc/29/72/09/171297209.db2.gz FRYSWRICNLJZOG-JTQLQIEISA-N 1 0 270.398 2.173 10 0 CEAERO C[C@@H](C(=O)Nc1ccc(F)c(N)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000022151753 171359325 /nfs/dbraw/zinc/35/93/25/171359325.db2.gz TWCLZJXOMCXQFT-MNOVXSKESA-N 1 0 279.359 2.467 10 0 CEAERO Cc1c(N)cccc1NC(=O)C[N@H+]1CCCC[C@H]1C ZINC000022155897 171362622 /nfs/dbraw/zinc/36/26/22/171362622.db2.gz XKJZBZNLUXJPHD-LLVKDONJSA-N 1 0 261.369 2.390 10 0 CEAERO C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000022163044 171364540 /nfs/dbraw/zinc/36/45/40/171364540.db2.gz RXOHXYNRGHWVIZ-SMDDNHRTSA-N 1 0 282.409 2.002 10 0 CEAERO COc1ccc(NC(=O)COc2ccccc2C[NH3+])cc1 ZINC000022176408 171370985 /nfs/dbraw/zinc/37/09/85/171370985.db2.gz LNPVVNWCFVFOMT-UHFFFAOYSA-N 1 0 286.331 2.171 10 0 CEAERO Cc1cccc(OCC(=O)Nc2ccc(C[NH3+])cc2)c1 ZINC000022177281 171371184 /nfs/dbraw/zinc/37/11/84/171371184.db2.gz VMJZLQOOBSIOBO-UHFFFAOYSA-N 1 0 270.332 2.471 10 0 CEAERO C[C@@H](NS(=O)(=O)c1cccc(C[NH3+])c1)c1ccccc1 ZINC000022177726 171371530 /nfs/dbraw/zinc/37/15/30/171371530.db2.gz GQMSOUYUOHTPRZ-GFCCVEGCSA-N 1 0 290.388 2.185 10 0 CEAERO C[C@H]1CN([C@@H](C[NH3+])c2cccc(Br)c2)CCO1 ZINC000022221389 171378198 /nfs/dbraw/zinc/37/81/98/171378198.db2.gz RQOUTCPDBZVBPE-GWCFXTLKSA-N 1 0 299.212 2.170 10 0 CEAERO [NH3+]C[C@H](O)c1ccccc1OCCc1ccccc1 ZINC000032110266 171702491 /nfs/dbraw/zinc/70/24/91/171702491.db2.gz YRJYXTLBMMJTOY-HNNXBMFYSA-N 1 0 257.333 2.300 10 0 CEAERO Clc1cccc(Cl)c1COC[C@H]1C[NH2+]CCO1 ZINC000034120703 171831761 /nfs/dbraw/zinc/83/17/61/171831761.db2.gz SEDGZYVPKWFBGY-SECBINFHSA-N 1 0 276.163 2.498 10 0 CEAERO CCC[NH2+]Cc1ccc(OCC(=O)NCC)c(OCC)c1 ZINC000034652106 171847291 /nfs/dbraw/zinc/84/72/91/171847291.db2.gz FCMHYRRRQRUPIZ-UHFFFAOYSA-N 1 0 294.395 2.100 10 0 CEAERO CCC[NH2+][C@H](CC)c1ccccc1OCC(N)=O ZINC000034818666 171871876 /nfs/dbraw/zinc/87/18/76/171871876.db2.gz ZORVIJMOJAFHEI-GFCCVEGCSA-N 1 0 250.342 2.001 10 0 CEAERO Cc1nc(-c2ccc(NC(=O)[C@@H]3CCC[NH2+]3)cc2)co1 ZINC000035230217 172070824 /nfs/dbraw/zinc/07/08/24/172070824.db2.gz HCDCWJZZFFOTDV-ZDUSSCGKSA-N 1 0 271.320 2.341 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000035231164 172071449 /nfs/dbraw/zinc/07/14/49/172071449.db2.gz YFSJALANHHWGCR-SKDRFNHKSA-N 1 0 297.196 2.378 10 0 CEAERO C[C@H]1CCCN(c2nc3sccn3c2C[NH3+])C1 ZINC000035429691 172197832 /nfs/dbraw/zinc/19/78/32/172197832.db2.gz FFIJMAADWINTNM-VIFPVBQESA-N 1 0 250.371 2.091 10 0 CEAERO CC(C)(C)OC(=O)N1C[C@H]([NH3+])[C@H](c2ccc(F)cc2)C1 ZINC000035571741 172267507 /nfs/dbraw/zinc/26/75/07/172267507.db2.gz IEDYIVQVXJQGQC-STQMWFEESA-N 1 0 280.343 2.487 10 0 CEAERO CC[C@H](C)NS(=O)(=O)c1ccc([C@H](C)[NH2+]C)cc1 ZINC000035632868 172315638 /nfs/dbraw/zinc/31/56/38/172315638.db2.gz BLPQAQXKAJYCNM-QWRGUYRKSA-N 1 0 270.398 2.044 10 0 CEAERO COc1ccccc1NC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000035690963 172359633 /nfs/dbraw/zinc/35/96/33/172359633.db2.gz IRTBPGBLDDOFCV-NEPJUHHUSA-N 1 0 277.368 2.205 10 0 CEAERO O=S1(=O)CCC[C@H]([NH2+]C2CC2)c2ccccc21 ZINC000035760549 172398607 /nfs/dbraw/zinc/39/86/07/172398607.db2.gz XYUJMDXARNYQNV-LBPRGKRZSA-N 1 0 251.351 2.047 10 0 CEAERO FC(F)n1ccnc1C[NH2+]CCc1ccccn1 ZINC000036804920 172722194 /nfs/dbraw/zinc/72/21/94/172722194.db2.gz FKSKXHWVYCBVED-UHFFFAOYSA-N 1 0 252.268 2.006 10 0 CEAERO COc1ccc(OC)c(C[NH2+][C@H]2CCC[C@H](O)C2)c1 ZINC000037166263 173000276 /nfs/dbraw/zinc/00/02/76/173000276.db2.gz LKRYNCMGPUJNBD-STQMWFEESA-N 1 0 265.353 2.097 10 0 CEAERO CC[C@@H](C)C[N@H+](C)CC(=O)Nc1cc(N)ccc1C ZINC000037172324 173005405 /nfs/dbraw/zinc/00/54/05/173005405.db2.gz FEHRHKDOPPSGAK-LLVKDONJSA-N 1 0 263.385 2.494 10 0 CEAERO COc1ccccc1[C@H](C[NH3+])N(C)[C@@H]1CCSC1 ZINC000037174488 173008343 /nfs/dbraw/zinc/00/83/43/173008343.db2.gz JQXUFEJZTNVFQB-YPMHNXCESA-N 1 0 266.410 2.132 10 0 CEAERO Cc1ccsc1[C@@H](C[NH3+])N(C)[C@@H]1CCSC1 ZINC000037174486 173008774 /nfs/dbraw/zinc/00/87/74/173008774.db2.gz VJJHUYQOCGCYRG-GHMZBOCLSA-N 1 0 256.440 2.494 10 0 CEAERO Cc1ccc(CN(C)[C@@H](CC[NH3+])C(F)(F)F)o1 ZINC000037178596 173012394 /nfs/dbraw/zinc/01/23/94/173012394.db2.gz LTDXWSHMTGRCFJ-JTQLQIEISA-N 1 0 250.264 2.300 10 0 CEAERO CC(C)=CCN1CCC([NH2+]C[C@@H]2CCCO2)CC1 ZINC000037215260 173035109 /nfs/dbraw/zinc/03/51/09/173035109.db2.gz KOKYLMHKABOYRT-HNNXBMFYSA-N 1 0 252.402 2.186 10 0 CEAERO C[C@@H]([NH2+]CC(=O)N(C)C)c1ccc(F)c(Cl)c1 ZINC000037225309 173045847 /nfs/dbraw/zinc/04/58/47/173045847.db2.gz OFBPXQVCMWWOTI-MRVPVSSYSA-N 1 0 258.724 2.218 10 0 CEAERO Cc1ccccc1[C@H](C)[NH2+]C1CCN(C(N)=O)CC1 ZINC000037228493 173048952 /nfs/dbraw/zinc/04/89/52/173048952.db2.gz HFCVJXQHFRMEJU-LBPRGKRZSA-N 1 0 261.369 2.189 10 0 CEAERO COCCC[NH2+][C@@H](c1cccs1)c1nccn1C ZINC000037232380 173051664 /nfs/dbraw/zinc/05/16/64/173051664.db2.gz UGDFGXFBHHYEPM-LBPRGKRZSA-N 1 0 265.382 2.197 10 0 CEAERO CC(C)[C@H](C)[NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000037249526 173062496 /nfs/dbraw/zinc/06/24/96/173062496.db2.gz XBMHDJUEJUNGPI-WDEREUQCSA-N 1 0 270.398 2.029 10 0 CEAERO CC[C@@H]([NH2+]CCC(N)=O)c1cccc(Br)c1 ZINC000037262062 173071399 /nfs/dbraw/zinc/07/13/99/173071399.db2.gz ONXKFJJUGGDDMB-LLVKDONJSA-N 1 0 285.185 2.365 10 0 CEAERO CC[C@H](C)C[N@H+](C)CC(=O)Nc1ccc(C)c(N)c1 ZINC000037273554 173085771 /nfs/dbraw/zinc/08/57/71/173085771.db2.gz XCLVEQRIQSJTCP-NSHDSACASA-N 1 0 263.385 2.494 10 0 CEAERO O=C1NCCCC[C@H]1[NH2+][C@@H]1CSCc2ccccc21 ZINC000037282913 173090288 /nfs/dbraw/zinc/09/02/88/173090288.db2.gz UEJCMKDDOSCZHI-ZIAGYGMSSA-N 1 0 276.405 2.233 10 0 CEAERO Cc1ccc([C@H]([NH3+])c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000037308732 173112059 /nfs/dbraw/zinc/11/20/59/173112059.db2.gz QRJJHJZQNLGSBO-AWEZNQCLSA-N 1 0 254.289 2.478 10 0 CEAERO CC(C)[NH2+]CC(=O)Nc1ccc(C(=O)OC(C)C)cc1 ZINC000037385977 173169115 /nfs/dbraw/zinc/16/91/15/173169115.db2.gz MRGHFDFBLMKMNB-UHFFFAOYSA-N 1 0 278.352 2.188 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)Nc1cc(C)ccc1OC ZINC000037386314 173169210 /nfs/dbraw/zinc/16/92/10/173169210.db2.gz UGKFRRKSAZSORT-NSHDSACASA-N 1 0 250.342 2.330 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000037386460 173170358 /nfs/dbraw/zinc/17/03/58/173170358.db2.gz PUTSHPSCANNABK-JTQLQIEISA-N 1 0 266.341 2.030 10 0 CEAERO C[C@H]1Cc2ccccc2N1C(=O)C[NH2+]C1CCCC1 ZINC000037387049 173170717 /nfs/dbraw/zinc/17/07/17/173170717.db2.gz JUUZRTILQXCLCW-LBPRGKRZSA-N 1 0 258.365 2.496 10 0 CEAERO CC[C@H](C)NC(=O)c1ccccc1NC(=O)C[NH2+]C(C)C ZINC000037394748 173175222 /nfs/dbraw/zinc/17/52/22/173175222.db2.gz XOIVQGLXORIGKI-LBPRGKRZSA-N 1 0 291.395 2.151 10 0 CEAERO CCn1c2ccc(C)cc2nc1[C@@H]1C[C@H](OC)C[NH2+]1 ZINC000037438194 173208526 /nfs/dbraw/zinc/20/85/26/173208526.db2.gz ZGOXRROJKBDULC-AAEUAGOBSA-N 1 0 259.353 2.414 10 0 CEAERO CCn1c2ccc(C)cc2nc1[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000037438200 173208939 /nfs/dbraw/zinc/20/89/39/173208939.db2.gz ZGOXRROJKBDULC-DGCLKSJQSA-N 1 0 259.353 2.414 10 0 CEAERO CCCn1c2c(cccc2Cl)nc1[C@@H]([NH3+])[C@H](C)O ZINC000037444144 173212505 /nfs/dbraw/zinc/21/25/05/173212505.db2.gz QYPFSFJGEBNZAS-KWQFWETISA-N 1 0 267.760 2.480 10 0 CEAERO CC[C@H](C)C[C@](CC)(C[NH3+])N(CCOC)CCOC ZINC000037489451 173231641 /nfs/dbraw/zinc/23/16/41/173231641.db2.gz SFHITWSUUHLESJ-LSDHHAIUSA-N 1 0 274.449 2.125 10 0 CEAERO COc1cccc([C@@H](C[NH2+][C@@H]2CCCC[C@@H]2O)N(C)C)c1 ZINC000037490938 173232336 /nfs/dbraw/zinc/23/23/36/173232336.db2.gz FIUZDKLIPQQODD-ZACQAIPSSA-N 1 0 292.423 2.191 10 0 CEAERO CCC[NH2+][C@H](C)c1ccc(OCCS(C)(=O)=O)cc1 ZINC000037743783 173664805 /nfs/dbraw/zinc/66/48/05/173664805.db2.gz DJCBETHMZNICQK-GFCCVEGCSA-N 1 0 285.409 2.171 10 0 CEAERO COCCC[NH2+]C[C@@H](O)c1ccc(C(C)C)cc1 ZINC000037885761 173822870 /nfs/dbraw/zinc/82/28/70/173822870.db2.gz CXFZVFMDGJUFLA-OAHLLOKOSA-N 1 0 251.370 2.470 10 0 CEAERO C[C@H](C[NH2+]Cc1ccc2c(c1)OCO2)N1CCCCC1 ZINC000038028220 174016693 /nfs/dbraw/zinc/01/66/93/174016693.db2.gz RSLVNQFQPFUCAX-CYBMUJFWSA-N 1 0 276.380 2.379 10 0 CEAERO C[C@H](C[NH2+][C@H]1COc2cc(O)ccc21)N1CCCCC1 ZINC000038028605 174017555 /nfs/dbraw/zinc/01/75/55/174017555.db2.gz TZYSAVQNJSUYBR-DOMZBBRYSA-N 1 0 276.380 2.290 10 0 CEAERO CCNC(=O)c1cc(NC[C@H](C)[NH+]2CCCCC2)ccn1 ZINC000038029265 174019818 /nfs/dbraw/zinc/01/98/18/174019818.db2.gz PIFXJYNROOPDJF-ZDUSSCGKSA-N 1 0 290.411 2.118 10 0 CEAERO CC(C)C[N@@H+]1CCO[C@H](COc2ccccc2N)C1 ZINC000038055917 174067066 /nfs/dbraw/zinc/06/70/66/174067066.db2.gz MVPRHFSZMANAEQ-ZDUSSCGKSA-N 1 0 264.369 2.004 10 0 CEAERO CC[C@H](C)[NH2+][C@H](C(N)=O)c1ccc(OC(F)F)cc1 ZINC000038065271 174076203 /nfs/dbraw/zinc/07/62/03/174076203.db2.gz RDMSQJKHGTWRIA-KWQFWETISA-N 1 0 272.295 2.203 10 0 CEAERO O[C@H](C[NH2+]CC[C@@H]1CCCO1)c1ccccc1F ZINC000038096745 174111222 /nfs/dbraw/zinc/11/12/22/174111222.db2.gz PHHDAKOOYFRTMK-SMDDNHRTSA-N 1 0 253.317 2.018 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc(Cl)nc1 ZINC000038103307 174119529 /nfs/dbraw/zinc/11/95/29/174119529.db2.gz OFXFLQKZNJOBRN-GFCCVEGCSA-N 1 0 283.803 2.441 10 0 CEAERO CC[NH+](CC)CCn1c2ccccc2nc1CCCO ZINC000040389744 174252495 /nfs/dbraw/zinc/25/24/95/174252495.db2.gz HLMKEKGFQGQEDO-UHFFFAOYSA-N 1 0 275.396 2.303 10 0 CEAERO CSCC[C@H]([NH3+])C(=O)N1CCC[C@@H]1c1ccsc1 ZINC000040467927 174276049 /nfs/dbraw/zinc/27/60/49/174276049.db2.gz XFFOIZBJGVPIBJ-NWDGAFQWSA-N 1 0 284.450 2.492 10 0 CEAERO COC(=O)[C@@H](C)C[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000040491089 174292578 /nfs/dbraw/zinc/29/25/78/174292578.db2.gz DMLJCVOWYICAMH-QWRGUYRKSA-N 1 0 281.352 2.164 10 0 CEAERO CC(C)(C)C[NH2+]C[C@H](O)COc1ccccc1F ZINC000040493508 174293406 /nfs/dbraw/zinc/29/34/06/174293406.db2.gz OPTCXCKGYKOZKK-NSHDSACASA-N 1 0 255.333 2.201 10 0 CEAERO c1cnn(-c2ccccc2C[NH2+][C@H]2CN3CCC2CC3)c1 ZINC000040495512 174294278 /nfs/dbraw/zinc/29/42/78/174294278.db2.gz ZGYFEMKNKPIKII-INIZCTEOSA-N 1 0 282.391 2.056 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(N)ccc2Cl)C1 ZINC000040501634 174298534 /nfs/dbraw/zinc/29/85/34/174298534.db2.gz NVISTZRYWPNJKI-LLVKDONJSA-N 1 0 281.787 2.136 10 0 CEAERO Cc1cc(C)c(C(N)=S)c(NCCc2ccncc2)[nH+]1 ZINC000040514889 174306393 /nfs/dbraw/zinc/30/63/93/174306393.db2.gz DXJKWYXYRLDWSH-UHFFFAOYSA-N 1 0 286.404 2.382 10 0 CEAERO COC(=O)[C@H](C)C[NH2+][C@@H](C)c1sc(C)nc1C ZINC000040518633 174308238 /nfs/dbraw/zinc/30/82/38/174308238.db2.gz SJIZRMPGQFLILX-SFYZADRCSA-N 1 0 256.371 2.220 10 0 CEAERO C[NH2+]C[C@@H]1CCCN(C(=O)c2cccn2C(C)C)C1 ZINC000040594211 174348268 /nfs/dbraw/zinc/34/82/68/174348268.db2.gz GQTCOMOXEXKDDW-ZDUSSCGKSA-N 1 0 263.385 2.141 10 0 CEAERO C[NH2+]C[C@H]1CCCN(Cc2cn3cccc(C)c3n2)C1 ZINC000040600595 174351133 /nfs/dbraw/zinc/35/11/33/174351133.db2.gz RDOYZOGIOGOBSJ-CQSZACIVSA-N 1 0 272.396 2.074 10 0 CEAERO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Cl)c(N)c2)C1 ZINC000040620335 174354303 /nfs/dbraw/zinc/35/43/03/174354303.db2.gz ATDDHRBBRBMBMK-NSHDSACASA-N 1 0 295.814 2.382 10 0 CEAERO CC[C@H](C)[C@H]([NH3+])C(=O)NCc1cc2c(s1)CCC2 ZINC000040627904 174356951 /nfs/dbraw/zinc/35/69/51/174356951.db2.gz XXXMXXYDBDJRCH-ZANVPECISA-N 1 0 266.410 2.226 10 0 CEAERO CO[C@H]1C[NH2+][C@H](C(=O)Nc2ccc3sccc3c2)C1 ZINC000040632976 174359363 /nfs/dbraw/zinc/35/93/63/174359363.db2.gz RKTAQBCJBVYQHT-NEPJUHHUSA-N 1 0 276.361 2.217 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](c2nc(-c3cc(F)ccc3F)c[nH]2)C1 ZINC000040637687 174361925 /nfs/dbraw/zinc/36/19/25/174361925.db2.gz OPOYRNCUJVZWEG-BXKDBHETSA-N 1 0 279.290 2.404 10 0 CEAERO Cn1ccnc1CC[NH2+]Cc1ccc(Br)o1 ZINC000040638623 174362945 /nfs/dbraw/zinc/36/29/45/174362945.db2.gz KOLGLCKDQOWDHX-UHFFFAOYSA-N 1 0 284.157 2.108 10 0 CEAERO Cc1cn2c(C[NH2+]CCc3nccn3C)c(C)nc2s1 ZINC000040639076 174363028 /nfs/dbraw/zinc/36/30/28/174363028.db2.gz PSZRXMKIVWXKPA-UHFFFAOYSA-N 1 0 289.408 2.078 10 0 CEAERO COc1cc([C@@H](C)[NH2+]CCc2nccn2C)ccc1O ZINC000040638781 174363183 /nfs/dbraw/zinc/36/31/83/174363183.db2.gz 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[NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCC(C2CCC2)CC1 ZINC000662856971 414777095 /nfs/dbraw/zinc/77/70/95/414777095.db2.gz AAKGXXNCMDHOPZ-HUUCEWRRSA-N 1 0 264.413 2.400 10 0 CEAERO CCc1cc(NCc2ccccc2C[NH2+]C)nc(C)n1 ZINC000404537967 414787131 /nfs/dbraw/zinc/78/71/31/414787131.db2.gz DTNAIGFNCNYENO-UHFFFAOYSA-N 1 0 270.380 2.101 10 0 CEAERO [NH3+]C1(c2nc(-c3n[nH]c(C4CCCC4)n3)c[nH]2)CCC1 ZINC000041161558 174503173 /nfs/dbraw/zinc/50/31/73/174503173.db2.gz PBGFFWZMUSLEPU-UHFFFAOYSA-N 1 0 272.356 2.190 10 0 CEAERO CC(C)C[C@@H]([NH3+])C(=O)NC[C@H]1CC2CCC1CC2 ZINC000400141686 414747506 /nfs/dbraw/zinc/74/75/06/414747506.db2.gz IGRQEJJPPSOMHL-NWINJMCUSA-N 1 0 252.402 2.302 10 0 CEAERO COc1ccc(Cl)cc1CC(=O)C1CC[NH2+]CC1 ZINC000041386546 174542556 /nfs/dbraw/zinc/54/25/56/174542556.db2.gz FREZKLKORQNAMG-UHFFFAOYSA-N 1 0 267.756 2.460 10 0 CEAERO Cc1cccc(C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)c1F ZINC000662982029 414818082 /nfs/dbraw/zinc/81/80/82/414818082.db2.gz XBLRZCJWKHZYQL-VIFPVBQESA-N 1 0 278.249 2.096 10 0 CEAERO CC(C)(C)c1ccccc1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000132826741 414824438 /nfs/dbraw/zinc/82/44/38/414824438.db2.gz HMTQDDMLUBHWME-GFCCVEGCSA-N 1 0 260.381 2.323 10 0 CEAERO CCOCCNC(=O)Nc1ccc([C@H](C)[NH2+]C)cc1 ZINC000041707729 174610699 /nfs/dbraw/zinc/61/06/99/174610699.db2.gz CXSMPLAIAGEDLO-NSHDSACASA-N 1 0 265.357 2.125 10 0 CEAERO C[C@@H]([NH3+])c1ccc(NC(=O)NC2CCC(O)CC2)cc1 ZINC000041709402 174611714 /nfs/dbraw/zinc/61/17/14/174611714.db2.gz MYTHHSNXTFFNTA-GWMXKSKGSA-N 1 0 277.368 2.131 10 0 CEAERO Cc1occc1CN(C)C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000310872673 414857965 /nfs/dbraw/zinc/85/79/65/414857965.db2.gz UNAXPEGMBNXLSY-ZDUSSCGKSA-N 1 0 250.342 2.079 10 0 CEAERO Cc1ccccc1[C@H](C)NC[C@@H](O)C[N@@H+](C)C(C)C ZINC000311758313 414859516 /nfs/dbraw/zinc/85/95/16/414859516.db2.gz VZFIBEUSZZFMLB-LSDHHAIUSA-N 1 0 264.413 2.347 10 0 CEAERO COc1cccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1F ZINC000311694693 414861388 /nfs/dbraw/zinc/86/13/88/414861388.db2.gz SUJBSSFBPCMDIZ-CYZMBNFOSA-N 1 0 264.344 2.003 10 0 CEAERO C[C@H](NC(=O)C[C@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000042171323 174651471 /nfs/dbraw/zinc/65/14/71/174651471.db2.gz MPYBTNNFPYXZRW-GXFFZTMASA-N 1 0 250.317 2.145 10 0 CEAERO CCC(C)(C)NC(=O)COc1ccc(C[NH3+])cc1Cl ZINC000042321602 174684893 /nfs/dbraw/zinc/68/48/93/174684893.db2.gz IAEOSUPMPWRUDA-UHFFFAOYSA-N 1 0 284.787 2.482 10 0 CEAERO Cc1ccc(F)cc1NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653056864 414890686 /nfs/dbraw/zinc/89/06/86/414890686.db2.gz BDBXJYNGJLNXGL-NXEZZACHSA-N 1 0 290.260 2.471 10 0 CEAERO C[NH2+]C[C@@H](C)Nc1ccnc2cc(Br)cnc21 ZINC000663278274 414903331 /nfs/dbraw/zinc/90/33/31/414903331.db2.gz FRTUJVFTFFZKFH-MRVPVSSYSA-N 1 0 295.184 2.412 10 0 CEAERO CCC1(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CCC1 ZINC000653089860 414903599 /nfs/dbraw/zinc/90/35/99/414903599.db2.gz WNNMSXCWNQWMRO-NXEZZACHSA-N 1 0 278.318 2.081 10 0 CEAERO C[C@H](OCc1ccccc1)C(=O)NCCC1CC[NH2+]CC1 ZINC000653270272 414965892 /nfs/dbraw/zinc/96/58/92/414965892.db2.gz KLIHULNALVHFIR-AWEZNQCLSA-N 1 0 290.407 2.098 10 0 CEAERO CN1C[C@H](C[NH2+]Cc2ccc(Cl)cc2F)CC1=O ZINC000657696096 415050715 /nfs/dbraw/zinc/05/07/15/415050715.db2.gz RYUWDJXBUYYIAY-VIFPVBQESA-N 1 0 270.735 2.047 10 0 CEAERO CN1C[C@H](C[NH2+]Cc2ccc3ccccc3c2)CC1=O ZINC000657694351 415051214 /nfs/dbraw/zinc/05/12/14/415051214.db2.gz KUJAVBABLLPVFN-AWEZNQCLSA-N 1 0 268.360 2.408 10 0 CEAERO CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC(=O)N(C)C2)C1 ZINC000657694901 415051384 /nfs/dbraw/zinc/05/13/84/415051384.db2.gz HUEMZRWOWAOJFJ-BFHYXJOUSA-N 1 0 252.402 2.269 10 0 CEAERO CCC(CC)N(CCOC)C(=O)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000042681621 174836408 /nfs/dbraw/zinc/83/64/08/174836408.db2.gz PBPZAGHYLNFTJM-QWHCGFSZSA-N 1 0 270.417 2.038 10 0 CEAERO OCC1CC([NH2+]Cc2cccc(OC(F)(F)F)c2)C1 ZINC000657812088 415089999 /nfs/dbraw/zinc/08/99/99/415089999.db2.gz GFSLBVRGVYAMDR-UHFFFAOYSA-N 1 0 275.270 2.446 10 0 CEAERO CN(Cc1cscn1)C[C@H]([NH3+])Cc1ccccc1 ZINC000042869429 174896777 /nfs/dbraw/zinc/89/67/77/174896777.db2.gz MXINJYWZVAGYHG-CYBMUJFWSA-N 1 0 261.394 2.145 10 0 CEAERO COC(=O)CS[C@@H](c1cccc(C)c1)[C@H](C)[NH3+] ZINC000042970273 174933285 /nfs/dbraw/zinc/93/32/85/174933285.db2.gz NTRBBWFSXSVTBS-GXFFZTMASA-N 1 0 253.367 2.290 10 0 CEAERO C[C@H]([NH3+])[C@H](Oc1ccccc1C(N)=O)c1cccc(F)c1 ZINC000042973847 174937228 /nfs/dbraw/zinc/93/72/28/174937228.db2.gz HGNIAYKNXJNSGJ-BONVTDFDSA-N 1 0 288.322 2.392 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1ccccc1F)N1CCSCC1 ZINC000043042847 174954030 /nfs/dbraw/zinc/95/40/30/174954030.db2.gz HRSWPDWNMUSJQO-GWCFXTLKSA-N 1 0 254.374 2.263 10 0 CEAERO COC1CCN([C@H](c2ccccc2F)[C@@H](C)[NH3+])CC1 ZINC000043043220 174954655 /nfs/dbraw/zinc/95/46/55/174954655.db2.gz GGBPCKHCQPRHRU-ABAIWWIYSA-N 1 0 266.360 2.325 10 0 CEAERO COCCN([C@H](c1ccccc1OC)[C@@H](C)[NH3+])C1CC1 ZINC000043098122 174965834 /nfs/dbraw/zinc/96/58/34/174965834.db2.gz QAVDFGJRXLZONI-WBMJQRKESA-N 1 0 278.396 2.194 10 0 CEAERO COC(=O)CCS[C@H](c1cccs1)[C@@H](C)[NH3+] ZINC000043114289 174974786 /nfs/dbraw/zinc/97/47/86/174974786.db2.gz QPFFTRLXCLSQBC-KCJUWKMLSA-N 1 0 259.396 2.433 10 0 CEAERO CCN(CC)C(=O)CN(C)[C@@H](c1sccc1C)[C@@H](C)[NH3+] ZINC000043248590 174993384 /nfs/dbraw/zinc/99/33/84/174993384.db2.gz CFBSUCZGXGXQHN-TZMCWYRMSA-N 1 0 297.468 2.245 10 0 CEAERO CC[NH2+][C@H](c1c(F)cccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000043300772 175001368 /nfs/dbraw/zinc/00/13/68/175001368.db2.gz SQFOJUVEZJALAJ-ZANVPECISA-N 1 0 289.347 2.050 10 0 CEAERO CCC[NH2+][C@H](c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043301177 175002135 /nfs/dbraw/zinc/00/21/35/175002135.db2.gz VVDCHLJIVUSFNB-GXTWGEPZSA-N 1 0 285.384 2.301 10 0 CEAERO C=C1c2ccccc2C(=O)N1c1nc2c(s1)C[NH2+]CC2 ZINC000043304156 175002977 /nfs/dbraw/zinc/00/29/77/175002977.db2.gz OCDXEPNIBDZJHD-UHFFFAOYSA-N 1 0 283.356 2.420 10 0 CEAERO C[C@H](Cc1c(F)cccc1F)N[C@H]1CCC[NH2+]C1 ZINC000043327206 175008851 /nfs/dbraw/zinc/00/88/51/175008851.db2.gz CSMRMIXTJYFMRS-MNOVXSKESA-N 1 0 254.324 2.237 10 0 CEAERO COc1ccc(O)c(C(=O)N(CCC[NH3+])C2CCCC2)c1 ZINC000043327683 175009194 /nfs/dbraw/zinc/00/91/94/175009194.db2.gz BEUOPOZDPAHFOQ-UHFFFAOYSA-N 1 0 292.379 2.134 10 0 CEAERO [NH3+]C[C@H](Oc1ccc2c(c1)CCC(=O)N2)c1ccco1 ZINC000043336622 175012636 /nfs/dbraw/zinc/01/26/36/175012636.db2.gz BEHOZRBGFPWDPN-AWEZNQCLSA-N 1 0 272.304 2.243 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccco1)n1ccc(C(F)(F)F)n1 ZINC000043336526 175012639 /nfs/dbraw/zinc/01/26/39/175012639.db2.gz ZSZXFKDSQZIOGP-GMSGAONNSA-N 1 0 259.231 2.432 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccccn1)N(C)Cc1ccccn1 ZINC000043339270 175013596 /nfs/dbraw/zinc/01/35/96/175013596.db2.gz CMAQNWPNRDYRCT-GDBMZVCRSA-N 1 0 270.380 2.387 10 0 CEAERO CCCCOCCO[C@@H](c1ccccn1)[C@@H](C)[NH3+] ZINC000043343334 175015919 /nfs/dbraw/zinc/01/59/19/175015919.db2.gz OXRUSEXYRRYZBE-TZMCWYRMSA-N 1 0 252.358 2.303 10 0 CEAERO C[C@@H]([NH3+])[C@@H](Oc1ccc(CO)cc1)c1ccccn1 ZINC000043343994 175016245 /nfs/dbraw/zinc/01/62/45/175016245.db2.gz XBPBOQKIQAWYEC-IAQYHMDHSA-N 1 0 258.321 2.041 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1cccnc1)N1CCCC[C@@H]1CCO ZINC000043345771 175016607 /nfs/dbraw/zinc/01/66/07/175016607.db2.gz GXKDWSCGFBHDDM-OWCLPIDISA-N 1 0 277.412 2.097 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1cccnc1)N(C)CC(F)(F)F ZINC000043347072 175017567 /nfs/dbraw/zinc/01/75/67/175017567.db2.gz DLYYZDYAGWPIJR-GHMZBOCLSA-N 1 0 261.291 2.354 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1cccnc1)n1cc(Br)cn1 ZINC000043348928 175019122 /nfs/dbraw/zinc/01/91/22/175019122.db2.gz ZZVOMHDXRCXQOU-RYUDHWBXSA-N 1 0 295.184 2.367 10 0 CEAERO CC(=O)Nc1ccccc1O[C@H](C[NH3+])c1cccnc1 ZINC000043349939 175019254 /nfs/dbraw/zinc/01/92/54/175019254.db2.gz OCMKTGAXWSZQAG-OAHLLOKOSA-N 1 0 271.320 2.119 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccncc1)N(C)CCc1ccccn1 ZINC000043353157 175020493 /nfs/dbraw/zinc/02/04/93/175020493.db2.gz BTZKELTVFORBMN-CZUORRHYSA-N 1 0 270.380 2.039 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccncc1)N(C)Cc1cc(C)on1 ZINC000043353754 175020968 /nfs/dbraw/zinc/02/09/68/175020968.db2.gz WYVGCPPLVCXKJX-HUUCEWRRSA-N 1 0 274.368 2.288 10 0 CEAERO C[C@H]([NH3+])[C@H](c1ccncc1)n1cnc2ccccc21 ZINC000043354911 175023085 /nfs/dbraw/zinc/02/30/85/175023085.db2.gz CGSWBENECHXFCX-XHDPSFHLSA-N 1 0 252.321 2.368 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)N1CCN(CC)CC1 ZINC000043363783 175023974 /nfs/dbraw/zinc/02/39/74/175023974.db2.gz URGKFIYPMPKOBH-UKRRQHHQSA-N 1 0 265.401 2.004 10 0 CEAERO Cc1ccc([C@H]([C@@H](C)[NH3+])N2CCOC(C)(C)C2)o1 ZINC000043364451 175025822 /nfs/dbraw/zinc/02/58/22/175025822.db2.gz NDMHGJIUTUKQNT-YPMHNXCESA-N 1 0 252.358 2.087 10 0 CEAERO Cc1ccc([C@@H]([C@@H](C)[NH3+])N2CCOC(C)(C)C2)o1 ZINC000043364450 175025844 /nfs/dbraw/zinc/02/58/44/175025844.db2.gz NDMHGJIUTUKQNT-DGCLKSJQSA-N 1 0 252.358 2.087 10 0 CEAERO Cc1ccc([C@@H]([C@H](C)[NH3+])n2cc(Br)cn2)o1 ZINC000043365540 175027350 /nfs/dbraw/zinc/02/73/50/175027350.db2.gz WEBFXWCAUOTACC-GZMMTYOYSA-N 1 0 284.157 2.484 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1nnnn1C1CC1)c1ccc(C)o1 ZINC000043367344 175027672 /nfs/dbraw/zinc/02/76/72/175027672.db2.gz LKKAEFBWTXKBTI-PWSUYJOCSA-N 1 0 293.396 2.480 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](SCC(=O)OC)c1ccc(C)o1 ZINC000043367618 175027699 /nfs/dbraw/zinc/02/76/99/175027699.db2.gz ZNKPUBTUAFEMPK-BXKDBHETSA-N 1 0 257.355 2.273 10 0 CEAERO CCC(CC)N(CCO)[C@H]([C@H]([NH3+])CC)C(F)(F)F ZINC000043378969 175030876 /nfs/dbraw/zinc/03/08/76/175030876.db2.gz BNQIXKCHVPJXAV-GHMZBOCLSA-N 1 0 270.339 2.138 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](N(CC)[C@@H](C)COC)C(F)(F)F ZINC000043379240 175031058 /nfs/dbraw/zinc/03/10/58/175031058.db2.gz NGYIDOZCEWWDNZ-IVZWLZJFSA-N 1 0 256.312 2.011 10 0 CEAERO C[C@@H]([NH3+])[C@@H](n1ccc(C(F)(F)F)n1)C(F)(F)F ZINC000043383179 175031182 /nfs/dbraw/zinc/03/11/82/175031182.db2.gz DJLSWANBTJYBNB-INEUFUBQSA-N 1 0 261.169 2.353 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Oc1ccc2c(c1)OCO2)C(F)(F)F ZINC000043384537 175031620 /nfs/dbraw/zinc/03/16/20/175031620.db2.gz JXHDCZJXDGWQSQ-GZMMTYOYSA-N 1 0 277.242 2.462 10 0 CEAERO CC[C@@H](C)[NH2+][C@@H](C(N)=O)c1ccc(Cl)c(F)c1 ZINC000043390932 175034102 /nfs/dbraw/zinc/03/41/02/175034102.db2.gz IPYUOFDBXUNGCR-RDDDGLTNSA-N 1 0 258.724 2.394 10 0 CEAERO CCCCOC(=O)COc1ccc([C@@H](C)[NH3+])cc1 ZINC000043447205 175048748 /nfs/dbraw/zinc/04/87/48/175048748.db2.gz PTGPOZJPEAXJBR-LLVKDONJSA-N 1 0 251.326 2.428 10 0 CEAERO CC(C)(C)n1c2ccccc2nc1[C@H]1C[NH2+]CCO1 ZINC000043705058 175099356 /nfs/dbraw/zinc/09/93/56/175099356.db2.gz ISNDJFVBDRGSGQ-CYBMUJFWSA-N 1 0 259.353 2.452 10 0 CEAERO O=C(N[C@H](c1cccs1)C1CCCC1)[C@@H]1C[NH2+]CCO1 ZINC000043708358 175101066 /nfs/dbraw/zinc/10/10/66/175101066.db2.gz TUBHKJGEAFZTNQ-JSGCOSHPSA-N 1 0 294.420 2.084 10 0 CEAERO O=C(Nc1ccc(-c2ccccc2)cc1)[C@@H]1C[NH2+]CCO1 ZINC000043708857 175102448 /nfs/dbraw/zinc/10/24/48/175102448.db2.gz BRVHYVIMITVHQS-INIZCTEOSA-N 1 0 282.343 2.281 10 0 CEAERO CC[NH2+][C@H]1CCCCC[C@H]1N1C[C@@H](C)O[C@@H](C)C1 ZINC000043811484 175110857 /nfs/dbraw/zinc/11/08/57/175110857.db2.gz GCAVOAQLPVBVFK-LJISPDSOSA-N 1 0 254.418 2.406 10 0 CEAERO CCC[NH2+][C@H]1CCCC[C@@H]1N1C[C@@H](C)O[C@@H](C)C1 ZINC000043811642 175110921 /nfs/dbraw/zinc/11/09/21/175110921.db2.gz YCYATUZFZLVANO-XGUBFFRZSA-N 1 0 254.418 2.406 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2OC[C@H]1N1C[C@@H](C)O[C@@H](C)C1 ZINC000043811560 175111014 /nfs/dbraw/zinc/11/10/14/175111014.db2.gz HJUBLTTUBHVXSX-CXUGXGMPSA-N 1 0 290.407 2.207 10 0 CEAERO CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N1C[C@@H](C)O[C@@H](C)C1 ZINC000043811475 175111156 /nfs/dbraw/zinc/11/11/56/175111156.db2.gz CKLANGMEPUZGNY-QMIVOQANSA-N 1 0 254.418 2.262 10 0 CEAERO CCC[NH2+][C@H]1CCC2(C[C@H]1N1CCCCC1)OCCO2 ZINC000043814529 175111630 /nfs/dbraw/zinc/11/16/30/175111630.db2.gz JHVWEHJUYPKKDC-LSDHHAIUSA-N 1 0 282.428 2.136 10 0 CEAERO CCC[NH2+][C@@H](CN(C)C)c1ccc2c(c1)OCO2 ZINC000043816230 175112528 /nfs/dbraw/zinc/11/25/28/175112528.db2.gz FRIHNZTXSHQXDG-LBPRGKRZSA-N 1 0 250.342 2.018 10 0 CEAERO CCC[NH2+][C@H]1CCC[C@@H]1N(C)CCc1ccccn1 ZINC000043818910 175113634 /nfs/dbraw/zinc/11/36/34/175113634.db2.gz NLDXYYXTQNAOCL-HOTGVXAUSA-N 1 0 261.413 2.477 10 0 CEAERO CCC[NH2+][C@@H]1CCC2(C[C@H]1N(CC)C1CC1)OCCO2 ZINC000043822293 175114398 /nfs/dbraw/zinc/11/43/98/175114398.db2.gz SQKCRYPZMCHTBK-HUUCEWRRSA-N 1 0 282.428 2.135 10 0 CEAERO C[NH2+][C@H](CN(C)C1CC1)c1cc(OC)ccc1OC ZINC000043822651 175114773 /nfs/dbraw/zinc/11/47/73/175114773.db2.gz BFIPTRGJGDYVLW-CQSZACIVSA-N 1 0 264.369 2.059 10 0 CEAERO C[NH2+][C@H](CN(C)CC(C)C)c1ccc2c(c1)OCCO2 ZINC000043886579 175117111 /nfs/dbraw/zinc/11/71/11/175117111.db2.gz JWWSEYJNDFNYGP-CQSZACIVSA-N 1 0 278.396 2.306 10 0 CEAERO CCC[NH2+][C@@H]1CCC2(C[C@H]1N(C)CC(C)C)OCCO2 ZINC000043887111 175117791 /nfs/dbraw/zinc/11/77/91/175117791.db2.gz PSUREDJIZWGWBO-HUUCEWRRSA-N 1 0 284.444 2.238 10 0 CEAERO C[NH2+][C@H]1c2ccccc2CC[C@H]1N1CCC(OC)CC1 ZINC000043890092 175117816 /nfs/dbraw/zinc/11/78/16/175117816.db2.gz ZCQVYWYSBCUNRK-SJORKVTESA-N 1 0 274.408 2.373 10 0 CEAERO CC[C@H]([C@@H]([NH2+]C)c1ccccc1)N1CCOC[C@@H]1C ZINC000043891244 175118161 /nfs/dbraw/zinc/11/81/61/175118161.db2.gz QJEXSBSTSQLROR-IMJJTQAJSA-N 1 0 262.397 2.446 10 0 CEAERO CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N1CCC(OC)CC1 ZINC000043890152 175118274 /nfs/dbraw/zinc/11/82/74/175118274.db2.gz PWQSAJRWRPHXHY-QEJZJMRPSA-N 1 0 254.418 2.264 10 0 CEAERO CC[NH2+][C@@H]1CCCCC[C@H]1N1CCC(OC)CC1 ZINC000043890165 175118280 /nfs/dbraw/zinc/11/82/80/175118280.db2.gz WIVGINFARQVGLG-HUUCEWRRSA-N 1 0 254.418 2.408 10 0 CEAERO C[NH2+][C@H](CN(C)Cc1ccncc1)c1ccc(OC)cc1 ZINC000043893856 175118402 /nfs/dbraw/zinc/11/84/02/175118402.db2.gz WKKWJFRKVFJXJW-QGZVFWFLSA-N 1 0 285.391 2.483 10 0 CEAERO C[NH2+][C@H]1c2ccccc2OC[C@H]1N(C)[C@@H](C)C1CC1 ZINC000043894803 175119195 /nfs/dbraw/zinc/11/91/95/175119195.db2.gz GEHVVWOLBPXLKS-PEYYIBSZSA-N 1 0 260.381 2.438 10 0 CEAERO CCC[NH2+][C@@H]1CCCC[C@@H]1N1CCOC(C)(C)C1 ZINC000043898056 175120891 /nfs/dbraw/zinc/12/08/91/175120891.db2.gz DOQZFMUWSJHXBH-KGLIPLIRSA-N 1 0 254.418 2.408 10 0 CEAERO CC[NH2+][C@@H]1CCOC[C@@H]1N(CC(C)C)CC(C)C ZINC000043909691 175123401 /nfs/dbraw/zinc/12/34/01/175123401.db2.gz GLFRQJDZANJZLA-CABCVRRESA-N 1 0 256.434 2.367 10 0 CEAERO CC[NH2+][C@H]1CCOC[C@@H]1N(C)Cc1ccc(F)cc1 ZINC000043911282 175123675 /nfs/dbraw/zinc/12/36/75/175123675.db2.gz CVSTZLVWHRLETG-GJZGRUSLSA-N 1 0 266.360 2.025 10 0 CEAERO CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N(CCOC)CCOC ZINC000043912887 175124245 /nfs/dbraw/zinc/12/42/45/175124245.db2.gz FTYPEMFICHGHLH-PMPSAXMXSA-N 1 0 286.460 2.138 10 0 CEAERO CC[NH2+][C@@H]1c2ccc(OC)cc2CC[C@H]1N(C)CCOC ZINC000043916097 175125029 /nfs/dbraw/zinc/12/50/29/175125029.db2.gz VOUIYVPCSTUJKY-IAGOWNOFSA-N 1 0 292.423 2.239 10 0 CEAERO CC[NH2+][C@H](CN(C)CCOC)c1cc(C)ccc1OC ZINC000043916002 175125080 /nfs/dbraw/zinc/12/50/80/175125080.db2.gz PVXKQAOGEFTYFW-OAHLLOKOSA-N 1 0 280.412 2.232 10 0 CEAERO C[NH2+][C@H](CN(C)CCOC)C12CC3CC(CC(C3)C1)C2 ZINC000043915395 175125189 /nfs/dbraw/zinc/12/51/89/175125189.db2.gz BRJBWKGOLCIGJW-YYUOFMGYSA-N 1 0 280.456 2.369 10 0 CEAERO C[NH2+][C@H](CN1CCOCC1(C)C)c1cc(C)ccc1OC ZINC000043916787 175125439 /nfs/dbraw/zinc/12/54/39/175125439.db2.gz VUSFURPJDPPTHW-OAHLLOKOSA-N 1 0 292.423 2.375 10 0 CEAERO CCC[NH2+][C@@H]1CCC[C@H]1N(CC)C[C@@H]1CCCO1 ZINC000043966911 175127687 /nfs/dbraw/zinc/12/76/87/175127687.db2.gz RQYSYQBHSLASBH-RRFJBIMHSA-N 1 0 254.418 2.408 10 0 CEAERO CCC[NH2+][C@@H]1CCC[C@@H]1N(C)C[C@@H]1CCCCO1 ZINC000043966676 175128172 /nfs/dbraw/zinc/12/81/72/175128172.db2.gz YNTHSNNBFWCVER-ZNMIVQPWSA-N 1 0 254.418 2.408 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2OC[C@H]1N(CC)CCOC ZINC000043968703 175129424 /nfs/dbraw/zinc/12/94/24/175129424.db2.gz LZOIUMZTSKXZFN-GDBMZVCRSA-N 1 0 278.396 2.067 10 0 CEAERO CCOc1ccccc1[C@H](CN(CC)CCOC)[NH2+]C ZINC000043968539 175129559 /nfs/dbraw/zinc/12/95/59/175129559.db2.gz SOGFMRATIKLXKG-HNNXBMFYSA-N 1 0 280.412 2.314 10 0 CEAERO C[NH2+][C@@H](CN(CCOC)C1CC1)c1ccc(C)cc1 ZINC000043969607 175130371 /nfs/dbraw/zinc/13/03/71/175130371.db2.gz IHADQLZAXWVIAJ-INIZCTEOSA-N 1 0 262.397 2.366 10 0 CEAERO CC[NH2+][C@H](CN(C)[C@@H](C)COC)c1ccc2c(c1)OCO2 ZINC000043969216 175130437 /nfs/dbraw/zinc/13/04/37/175130437.db2.gz YWNATQJCDWWEIM-GXTWGEPZSA-N 1 0 294.395 2.033 10 0 CEAERO [NH3+][C@H]1CCCc2cc(OCCn3cccn3)ccc21 ZINC000044732355 175241059 /nfs/dbraw/zinc/24/10/59/175241059.db2.gz KOZNBUQRBZPKQQ-HNNXBMFYSA-N 1 0 257.337 2.298 10 0 CEAERO CC[C@H](C)NC(=O)COc1ccc2c(c1)CCC[C@@H]2[NH3+] ZINC000044745046 175241648 /nfs/dbraw/zinc/24/16/48/175241648.db2.gz BQTBOTVCRRRTLN-NHYWBVRUSA-N 1 0 276.380 2.316 10 0 CEAERO CC[NH2+][C@@H]1CCCc2cc(OC[C@@H](C)C(N)=O)ccc21 ZINC000044745605 175241937 /nfs/dbraw/zinc/24/19/37/175241937.db2.gz DFKWSXIMENTFBW-IAQYHMDHSA-N 1 0 276.380 2.174 10 0 CEAERO Cc1cc(N)ccc1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000044748155 175243625 /nfs/dbraw/zinc/24/36/25/175243625.db2.gz VMUNHANJCOTTNL-UHFFFAOYSA-N 1 0 277.412 2.426 10 0 CEAERO C[C@@H]1C[C@@H](C)CN(C(=O)C2(C[NH3+])CCCCC2)C1 ZINC000044753390 175246118 /nfs/dbraw/zinc/24/61/18/175246118.db2.gz IOWWGPZQYRBLIF-CHWSQXEVSA-N 1 0 252.402 2.400 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)NCc1ccccn1 ZINC000044794713 175254666 /nfs/dbraw/zinc/25/46/66/175254666.db2.gz NZYOJWCCVLTOMY-UHFFFAOYSA-N 1 0 263.385 2.243 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)Nc1ccc(OCC)cc1 ZINC000044797585 175254687 /nfs/dbraw/zinc/25/46/87/175254687.db2.gz MQMFWNSPWOVAOG-NSHDSACASA-N 1 0 250.342 2.399 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000044798226 175255153 /nfs/dbraw/zinc/25/51/53/175255153.db2.gz SWMOEKPCQVMQKU-JTQLQIEISA-N 1 0 274.286 2.307 10 0 CEAERO CC(C)[C@H](C[NH3+])C(=O)Nc1ccccc1OC(F)F ZINC000044800155 175255782 /nfs/dbraw/zinc/25/57/82/175255782.db2.gz DIOPRNIVZBFASW-VIFPVBQESA-N 1 0 272.295 2.457 10 0 CEAERO CC(C)[C@@H](C)N(C)C(=O)[C@H](C[NH3+])Cc1ccccc1 ZINC000044801996 175255810 /nfs/dbraw/zinc/25/58/10/175255810.db2.gz VUFYFWTTYVLUGK-HIFRSBDPSA-N 1 0 262.397 2.307 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)Nc1ccc(F)cc1OC ZINC000044806680 175256586 /nfs/dbraw/zinc/25/65/86/175256586.db2.gz XVPMVWWVLMOQAG-SECBINFHSA-N 1 0 254.305 2.148 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)NCC[C@H]1CCCO1 ZINC000044808367 175257138 /nfs/dbraw/zinc/25/71/38/175257138.db2.gz KINKFOGXNYINEG-CYBMUJFWSA-N 1 0 270.417 2.217 10 0 CEAERO C[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1O)N1CCCCC1 ZINC000044992701 175286741 /nfs/dbraw/zinc/28/67/41/175286741.db2.gz YZCFOFUFYYCLQL-KFWWJZLASA-N 1 0 254.418 2.144 10 0 CEAERO CCC(CC)(C(N)=S)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000045009322 175289600 /nfs/dbraw/zinc/28/96/00/175289600.db2.gz MILKWWUKZUBKJI-LBPRGKRZSA-N 1 0 299.484 2.070 10 0 CEAERO C[N@H+](CC(N)=S)Cc1cc(Br)ccc1F ZINC000045062922 175299069 /nfs/dbraw/zinc/29/90/69/175299069.db2.gz FFHXLNHRCLBSFS-UHFFFAOYSA-N 1 0 291.189 2.306 10 0 CEAERO Nc1ccc(=O)n(CC[N@@H+]2CCC[C@H]2C2CCCC2)c1 ZINC000045066871 175300195 /nfs/dbraw/zinc/30/01/95/175300195.db2.gz PHRKKLQDHPPBPZ-HNNXBMFYSA-N 1 0 275.396 2.085 10 0 CEAERO C[C@@H](CNc1ccc2scnc2c1N)[NH+](C)C ZINC000045105948 175307670 /nfs/dbraw/zinc/30/76/70/175307670.db2.gz SPULJCPEFJSYRH-QMMMGPOBSA-N 1 0 250.371 2.241 10 0 CEAERO CC[C@@H]([NH2+]C)c1cccc(S(=O)(=O)N[C@H]2CC2(C)C)c1 ZINC000045138181 175314467 /nfs/dbraw/zinc/31/44/67/175314467.db2.gz SJTDSYQBEAIXJS-KGLIPLIRSA-N 1 0 296.436 2.434 10 0 CEAERO CC[NH2+][C@H](C)c1cccc(S(=O)(=O)N[C@H]2CC2(C)C)c1 ZINC000045138157 175314620 /nfs/dbraw/zinc/31/46/20/175314620.db2.gz OOXLYFUQYPMFPF-RISCZKNCSA-N 1 0 296.436 2.434 10 0 CEAERO CC[NH+](CC)CCN[C@@H](C)c1c(C)nn(C)c1C ZINC000045167446 175319440 /nfs/dbraw/zinc/31/94/40/175319440.db2.gz KDMBTZUVSCUZLT-NSHDSACASA-N 1 0 252.406 2.029 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]CCC(=O)N2CCCC2)c1C ZINC000045168269 175319625 /nfs/dbraw/zinc/31/96/25/175319625.db2.gz HBWWCOYMMJNLFT-LBPRGKRZSA-N 1 0 292.427 2.183 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCOC2)c1C ZINC000045171517 175320866 /nfs/dbraw/zinc/32/08/66/175320866.db2.gz LPPAWTPONGJKIZ-GWCFXTLKSA-N 1 0 251.374 2.207 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]CCc1cccnc1 ZINC000045171495 175320872 /nfs/dbraw/zinc/32/08/72/175320872.db2.gz PGSOENPXHSSDON-LLVKDONJSA-N 1 0 258.369 2.325 10 0 CEAERO CCCC[N@H+](CC)C[C@@](C)(NCCC)C(=O)OC ZINC000045223299 175331494 /nfs/dbraw/zinc/33/14/94/175331494.db2.gz ZXUOABAQZGPQHB-CQSZACIVSA-N 1 0 258.406 2.040 10 0 CEAERO CCCN[C@](C)(CC[NH+]1CCC(C)CC1)C(=O)OCC ZINC000045225566 175332795 /nfs/dbraw/zinc/33/27/95/175332795.db2.gz RFMQHGRBVNYSQK-MRXNPFEDSA-N 1 0 284.444 2.430 10 0 CEAERO COC(=O)[C@](C)(CC[N@@H+]1CCC[C@@H](C)C1)NC(C)C ZINC000045228595 175334002 /nfs/dbraw/zinc/33/40/02/175334002.db2.gz CTZNYEAJVLWCNV-HIFRSBDPSA-N 1 0 270.417 2.038 10 0 CEAERO CCCN[C@@](C)(CC[NH+]1CCCCCC1)C(=O)OC ZINC000045228909 175334073 /nfs/dbraw/zinc/33/40/73/175334073.db2.gz GQIDYRGBECXTQK-HNNXBMFYSA-N 1 0 270.417 2.184 10 0 CEAERO CCOC(=O)[C@@](N)(C[NH+]1CCCCCC1)c1ccccc1 ZINC000045228664 175334346 /nfs/dbraw/zinc/33/43/46/175334346.db2.gz NFXRAOZIWKWNRS-QGZVFWFLSA-N 1 0 290.407 2.280 10 0 CEAERO COC(=O)[C@@](N)(C[NH+]1[C@@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000045231650 175335636 /nfs/dbraw/zinc/33/56/36/175335636.db2.gz SBNLHTDPTIEZRX-GRDNDAEWSA-N 1 0 290.407 2.277 10 0 CEAERO CCN[C@@](C)(CC[N@H+]1[C@H](C)CCC[C@@H]1C)C(=O)OC ZINC000045231920 175335679 /nfs/dbraw/zinc/33/56/79/175335679.db2.gz SGSQGPGTNBRFOV-GUTXKFCHSA-N 1 0 270.417 2.181 10 0 CEAERO CCCC[NH+](CCCC)C[C@@](C)(NCC)C(=O)OC ZINC000045232705 175336031 /nfs/dbraw/zinc/33/60/31/175336031.db2.gz MLGCWMFZGFVRKQ-OAHLLOKOSA-N 1 0 272.433 2.430 10 0 CEAERO CCCN[C@@](C)(CC[N@H+](C)[C@@H](C)CC)C(=O)OC ZINC000045263974 175337595 /nfs/dbraw/zinc/33/75/95/175337595.db2.gz OOYYCZGLMHGAGO-JSGCOSHPSA-N 1 0 258.406 2.038 10 0 CEAERO CC[N@H+](CC(C)C)C[C@](NC)(C(=O)OC)c1ccccc1 ZINC000045264048 175337782 /nfs/dbraw/zinc/33/77/82/175337782.db2.gz ZCNAPZDQUIHMIB-QGZVFWFLSA-N 1 0 292.423 2.252 10 0 CEAERO CCC[N@H+](C)C[C@@](NCC)(C(=O)OCC)c1ccccc1 ZINC000045264322 175338465 /nfs/dbraw/zinc/33/84/65/175338465.db2.gz FNUZCICIFSJYNC-KRWDZBQOSA-N 1 0 292.423 2.396 10 0 CEAERO CCOC(=O)[C@](C[N@H+](CC)C(C)C)(NC)c1ccccc1 ZINC000045265390 175338590 /nfs/dbraw/zinc/33/85/90/175338590.db2.gz NDMPEEMMUADAIT-QGZVFWFLSA-N 1 0 292.423 2.395 10 0 CEAERO COC(=O)[C@](C)(CC[N@H+](C)C1CCCC1)NC(C)C ZINC000045266280 175338913 /nfs/dbraw/zinc/33/89/13/175338913.db2.gz WZFKLERFYVMVTA-HNNXBMFYSA-N 1 0 270.417 2.181 10 0 CEAERO CN[C@@](C[N@H+](C)C1CCCC1)(C(=O)OC)c1ccccc1 ZINC000045266073 175339366 /nfs/dbraw/zinc/33/93/66/175339366.db2.gz KJFRSSRFYCWFOE-QGZVFWFLSA-N 1 0 290.407 2.149 10 0 CEAERO CCC[N@H+](CC)CC[C@](C)(NCC)C(=O)OCC ZINC000045267684 175339595 /nfs/dbraw/zinc/33/95/95/175339595.db2.gz JYCIZCHFBAZXBB-AWEZNQCLSA-N 1 0 258.406 2.040 10 0 CEAERO CCC[N@H+](C[C@@](NC)(C(=O)OC)c1ccccc1)C1CC1 ZINC000045267791 175339723 /nfs/dbraw/zinc/33/97/23/175339723.db2.gz NYAKXSHYYWOQLO-KRWDZBQOSA-N 1 0 290.407 2.149 10 0 CEAERO CCOC(=O)[C@@](C)(C[N@H+](C)C(CC)CC)NC1CC1 ZINC000045269677 175341685 /nfs/dbraw/zinc/34/16/85/175341685.db2.gz YAONKNCAWBHBKS-OAHLLOKOSA-N 1 0 270.417 2.181 10 0 CEAERO CCCC[N@H+](C[C@](C)(NCCC)C(=O)OC)C1CC1 ZINC000045276252 175346391 /nfs/dbraw/zinc/34/63/91/175346391.db2.gz BKHNREHJVJDPBY-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CCCC[N@H+](CC[C@@](C)([NH2+]CCC)C(=O)[O-])C1CC1 ZINC000045276308 175346882 /nfs/dbraw/zinc/34/68/82/175346882.db2.gz QCCPJDHTDJYEGU-OAHLLOKOSA-N 1 0 270.417 2.484 10 0 CEAERO CCC[N@H+](CC[C@](C)(NC1CC1)C(=O)OC)CC1CC1 ZINC000045276949 175346910 /nfs/dbraw/zinc/34/69/10/175346910.db2.gz MNHLSAUBVXUIFE-INIZCTEOSA-N 1 0 282.428 2.182 10 0 CEAERO CCOC(=O)[C@@](C)(N)C[N@H+](CC)CC(CC)CC ZINC000045277764 175347157 /nfs/dbraw/zinc/34/71/57/175347157.db2.gz OYSDWDPECVBITD-AWEZNQCLSA-N 1 0 258.406 2.025 10 0 CEAERO CC(C)C[N@H+](CC[C@](C)([NH2+]C1CC1)C(=O)[O-])C1CC1 ZINC000045277536 175347620 /nfs/dbraw/zinc/34/76/20/175347620.db2.gz YCZRWLRXOAEXAQ-HNNXBMFYSA-N 1 0 268.401 2.092 10 0 CEAERO CCCN[C@@](C)(C[N@H+](C)[C@@H](C)CC(C)C)C(=O)OC ZINC000045279956 175350158 /nfs/dbraw/zinc/35/01/58/175350158.db2.gz XEVSUMSTTNMBCU-ZFWWWQNUSA-N 1 0 272.433 2.284 10 0 CEAERO CCOC(=O)[C@](C)(N)CC[N@H+](C)C1CCC(C)CC1 ZINC000045280592 175350406 /nfs/dbraw/zinc/35/04/06/175350406.db2.gz XEXUIOKPAJMGCN-SSDMNJCBSA-N 1 0 270.417 2.168 10 0 CEAERO CCC1CCC([N@H+](C)CC[C@](C)([NH3+])C(=O)[O-])CC1 ZINC000045281069 175351549 /nfs/dbraw/zinc/35/15/49/175351549.db2.gz NHJQBYWUZUHONB-YIZWMMSDSA-N 1 0 256.390 2.079 10 0 CEAERO CC[NH2+][C@](C)(CCCC[N@@H+]1CCCC[C@@H]1C)C(=O)[O-] ZINC000045376049 175366223 /nfs/dbraw/zinc/36/62/23/175366223.db2.gz JCCFXYWZJCQUON-DZGCQCFKSA-N 1 0 270.417 2.484 10 0 CEAERO COC(=O)[C@@](C)(CCCC[NH+]1CCCC1)NC(C)C ZINC000045375291 175366638 /nfs/dbraw/zinc/36/66/38/175366638.db2.gz QLRBIBYQILHGSD-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CCC[NH2+][C@](C)(CCC[N@H+](CC)C(C)C)C(=O)[O-] ZINC000045383770 175371078 /nfs/dbraw/zinc/37/10/78/175371078.db2.gz PPBHNRXXQQUUEV-CQSZACIVSA-N 1 0 258.406 2.340 10 0 CEAERO CCCN[C@](C)(CCC[N@H+](C)CCC)C(=O)OCC ZINC000045382379 175371319 /nfs/dbraw/zinc/37/13/19/175371319.db2.gz HXXJUPADLCSQEG-OAHLLOKOSA-N 1 0 272.433 2.430 10 0 CEAERO CCCN[C@@](C)(CCCC[N@H+](C)CC)C(=O)OC ZINC000045382720 175371412 /nfs/dbraw/zinc/37/14/12/175371412.db2.gz MCRUBWQKMDOZLR-AWEZNQCLSA-N 1 0 258.406 2.040 10 0 CEAERO CCN[C@@](C)(CCC[N@H+](CC)C(C)C)C(=O)OC ZINC000045383831 175371533 /nfs/dbraw/zinc/37/15/33/175371533.db2.gz PFVQNSZOPIDSNY-AWEZNQCLSA-N 1 0 258.406 2.038 10 0 CEAERO CCC[NH2+][C@@](C)(CCCC[N@H+](CC)C1CC1)C(=O)[O-] ZINC000045386299 175372058 /nfs/dbraw/zinc/37/20/58/175372058.db2.gz IIWRVKIMNXWDBH-HNNXBMFYSA-N 1 0 270.417 2.484 10 0 CEAERO CCOC(=O)[C@@](C)(CCCC[N@H+](CC)C1CC1)NC ZINC000045386355 175373075 /nfs/dbraw/zinc/37/30/75/175373075.db2.gz BPJOLEVJCCGIJI-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CCN(CCCC[C@@](C)([NH3+])C(N)=O)c1cccc(C)c1 ZINC000045420040 175378556 /nfs/dbraw/zinc/37/85/56/175378556.db2.gz MRZUBDONKULHDQ-MRXNPFEDSA-N 1 0 277.412 2.194 10 0 CEAERO CC[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1ccc(OC)cc1 ZINC000658243709 415277758 /nfs/dbraw/zinc/27/77/58/415277758.db2.gz GDHAWHQCFFSNHG-DOMZBBRYSA-N 1 0 276.380 2.214 10 0 CEAERO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CC(=O)N(C)C2)cc1 ZINC000658243816 415278948 /nfs/dbraw/zinc/27/89/48/415278948.db2.gz HCYPNPYJXNCMJK-STQMWFEESA-N 1 0 276.380 2.214 10 0 CEAERO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC(=O)N(C)C2)s1 ZINC000658246076 415280359 /nfs/dbraw/zinc/28/03/59/415280359.db2.gz XABPHUDYFCDGCE-QWRGUYRKSA-N 1 0 252.383 2.185 10 0 CEAERO C[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1ccc(F)c(F)c1 ZINC000658246328 415281674 /nfs/dbraw/zinc/28/16/74/415281674.db2.gz YKEQHGYEEQIBIN-VHSXEESVSA-N 1 0 268.307 2.094 10 0 CEAERO C[C@H](C[NH+]1CCCC1)NC(=O)[C@H]1CCc2ccccc2N1 ZINC000049186141 175467845 /nfs/dbraw/zinc/46/78/45/175467845.db2.gz KUDDUJHVCOXKGL-CZUORRHYSA-N 1 0 287.407 2.014 10 0 CEAERO C[C@@H]1CCCC[C@H]1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000248491002 287307880 /nfs/dbraw/zinc/30/78/80/287307880.db2.gz NSIKXOVSACLYKP-OWCLPIDISA-N 1 0 266.429 2.219 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C3CCC4(CC4)CC3)C[C@@H]12 ZINC000659305411 415503885 /nfs/dbraw/zinc/50/38/85/415503885.db2.gz GSEVOIFTWJRUTB-MGPQQGTHSA-N 1 0 262.397 2.153 10 0 CEAERO Cc1cc(C)cc(CNC(=O)[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000659345752 415534301 /nfs/dbraw/zinc/53/43/01/415534301.db2.gz UDCFKFKOFOAUAG-DZGCQCFKSA-N 1 0 260.381 2.308 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCC1C[C@@H](C)C[C@H](C)C1 ZINC000659344019 415534535 /nfs/dbraw/zinc/53/45/35/415534535.db2.gz VVWCFQTVYCOELB-CIQGVGRVSA-N 1 0 252.402 2.030 10 0 CEAERO C[C@H]1C[C@](C[NH3+])(N(C)c2ccccc2F)CCO1 ZINC000070365671 175894850 /nfs/dbraw/zinc/89/48/50/175894850.db2.gz JXBKARRLYZPLEN-SMDDNHRTSA-N 1 0 252.333 2.158 10 0 CEAERO CC[C@@H]1C[C@@](C[NH3+])(N2CCOc3ccccc3C2)CCO1 ZINC000070366356 175895691 /nfs/dbraw/zinc/89/56/91/175895691.db2.gz OMIKMNASDMGBMW-WBVHZDCISA-N 1 0 290.407 2.168 10 0 CEAERO CC[C@H]1C[C@@](CO)([NH2+]Cc2cccs2)CCO1 ZINC000070372287 175899031 /nfs/dbraw/zinc/89/90/31/175899031.db2.gz GNHXYRGGOKBJHB-AAEUAGOBSA-N 1 0 255.383 2.158 10 0 CEAERO CC[C@H]([NH3+])Cc1c(C)nn(C)c1N1C[C@@H](C)S[C@@H](C)C1 ZINC000070387222 175905223 /nfs/dbraw/zinc/90/52/23/175905223.db2.gz XBBIQHCVIJNKAN-LOWVWBTDSA-N 1 0 296.484 2.339 10 0 CEAERO COc1ccc([C@H](O)Cc2c[nH+]ccc2N)cc1C ZINC000070400323 175910667 /nfs/dbraw/zinc/91/06/67/175910667.db2.gz DFWNJSKTCHZXLQ-CQSZACIVSA-N 1 0 258.321 2.257 10 0 CEAERO C[NH2+][C@H](Cc1ccc(C)cc1)Cc1cccnc1N ZINC000070407402 175913550 /nfs/dbraw/zinc/91/35/50/175913550.db2.gz XPEUYKWKKZTCON-OAHLLOKOSA-N 1 0 255.365 2.345 10 0 CEAERO [NH3+]CCCN(c1nncs1)c1ccccc1F ZINC000070426317 175922573 /nfs/dbraw/zinc/92/25/73/175922573.db2.gz HLQLRKXSVFQRBR-UHFFFAOYSA-N 1 0 252.318 2.164 10 0 CEAERO [NH3+][C@@H]1CCCN(c2cc(-c3cc(F)cc(F)c3)[nH]n2)C1 ZINC000070460158 175942453 /nfs/dbraw/zinc/94/24/53/175942453.db2.gz YONXEPDCKLKPIW-GFCCVEGCSA-N 1 0 278.306 2.282 10 0 CEAERO C[C@@H]1COc2ccc(C(=O)C3CC[NH2+]CC3)cc2OC1 ZINC000070509852 175960735 /nfs/dbraw/zinc/96/07/35/175960735.db2.gz HKPFBMUWIAXTDF-LLVKDONJSA-N 1 0 275.348 2.276 10 0 CEAERO CC(C)[NH2+][C@@](CO)(Cn1ccc(C(F)(F)F)n1)C1CC1 ZINC000070516120 175964914 /nfs/dbraw/zinc/96/49/14/175964914.db2.gz AIGRJVZMLWACNZ-GFCCVEGCSA-N 1 0 291.317 2.041 10 0 CEAERO CCCOc1ccccc1OC[C@](CO)([NH2+]C)C1CC1 ZINC000070517625 175965790 /nfs/dbraw/zinc/96/57/90/175965790.db2.gz QLDKDWZLPZCISQ-INIZCTEOSA-N 1 0 279.380 2.215 10 0 CEAERO C[C@@H](C[NH2+]C1CC1)CN1c2cccc(Cl)c2C(=O)C1=O ZINC000070527522 175971725 /nfs/dbraw/zinc/97/17/25/175971725.db2.gz YAOWBSAMXWDBQZ-VIFPVBQESA-N 1 0 292.766 2.257 10 0 CEAERO Cc1cc2c(c(C)c1)C(=O)C(=O)N2C[C@H](C)C[NH2+]C(C)C ZINC000070527519 175971770 /nfs/dbraw/zinc/97/17/70/175971770.db2.gz GYFSFKXQEOVLQV-GFCCVEGCSA-N 1 0 288.391 2.467 10 0 CEAERO Cc1ccc(CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cc1F ZINC000070574191 175989687 /nfs/dbraw/zinc/98/96/87/175989687.db2.gz YICUPAPUGQFHOS-CHWSQXEVSA-N 1 0 264.344 2.268 10 0 CEAERO COc1ccc([C@H]2OCC[C@H]2C[NH3+])cc1Br ZINC000070673957 176000521 /nfs/dbraw/zinc/00/05/21/176000521.db2.gz OPAVQOKAKGMBPO-JOYOIKCWSA-N 1 0 286.169 2.494 10 0 CEAERO C[NH2+]Cc1nc(Cn2cc(Cl)c(C)n2)cs1 ZINC000070704956 176002547 /nfs/dbraw/zinc/00/25/47/176002547.db2.gz RONIMOQVFQJYMU-UHFFFAOYSA-N 1 0 256.762 2.069 10 0 CEAERO COc1ccc(Br)c2c1C[C@H](C)[NH2+]C2 ZINC000070821228 176007642 /nfs/dbraw/zinc/00/76/42/176007642.db2.gz MFQPPWZIKWWYHH-ZETCQYMHSA-N 1 0 256.143 2.492 10 0 CEAERO [NH3+][C@@H]1CCC(=O)N[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000070824604 176007859 /nfs/dbraw/zinc/00/78/59/176007859.db2.gz JTMMOFRMUFNJSL-KOLCDFICSA-N 1 0 259.136 2.272 10 0 CEAERO [NH3+][C@H]1CCC(=O)N[C@H]1c1cccc(Cl)c1Cl ZINC000070824504 176008186 /nfs/dbraw/zinc/00/81/86/176008186.db2.gz ZYWUOOHXBIRLEQ-KWQFWETISA-N 1 0 259.136 2.272 10 0 CEAERO [NH3+]C[C@@H](Cn1cc(Br)cn1)c1ccccc1 ZINC000070836361 176008342 /nfs/dbraw/zinc/00/83/42/176008342.db2.gz UTLBUFZFHMSFMM-NSHDSACASA-N 1 0 280.169 2.388 10 0 CEAERO CCC[NH2+][C@H]1CCN(Cc2ccc(OC)cc2OC)C1 ZINC000070940931 176014723 /nfs/dbraw/zinc/01/47/23/176014723.db2.gz WSPXFXNQBDUPMD-AWEZNQCLSA-N 1 0 278.396 2.278 10 0 CEAERO COc1ccccc1NC(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000070943755 176016481 /nfs/dbraw/zinc/01/64/81/176016481.db2.gz NGUSBVCTXJXYNV-GFCCVEGCSA-N 1 0 277.368 2.430 10 0 CEAERO CC(C)N1C(=O)CC[C@H]([NH3+])[C@@H]1c1cccc(F)c1 ZINC000070987011 176018292 /nfs/dbraw/zinc/01/82/92/176018292.db2.gz UVFXPDNQEXEJIK-JSGCOSHPSA-N 1 0 250.317 2.225 10 0 CEAERO Cc1ccsc1[C@@H]1[C@H]([NH3+])CCC(=O)N1C1CC1 ZINC000070987137 176018647 /nfs/dbraw/zinc/01/86/47/176018647.db2.gz CVTHJJQLGDCGAN-PWSUYJOCSA-N 1 0 250.367 2.210 10 0 CEAERO O[C@]1(C[NH2+]C2CC2)CCc2cc(Br)ccc2C1 ZINC000070988275 176018714 /nfs/dbraw/zinc/01/87/14/176018714.db2.gz IQTICXGHHSSHAQ-CQSZACIVSA-N 1 0 296.208 2.421 10 0 CEAERO Cc1ccc(NC[C@H](O)C[NH+](C)C)cc1Br ZINC000070993966 176020110 /nfs/dbraw/zinc/02/01/10/176020110.db2.gz GWXZPJYTVWOYCJ-NSHDSACASA-N 1 0 287.201 2.092 10 0 CEAERO c1ncc(N2CCC[NH2+]CC2)cc1OCC1CCCC1 ZINC000071028980 176021312 /nfs/dbraw/zinc/02/13/12/176021312.db2.gz SHTGJPYREFNNQV-UHFFFAOYSA-N 1 0 275.396 2.450 10 0 CEAERO CC(C)[NH2+][C@H]1CCN([C@@H](C)c2ccccc2F)C1=O ZINC000071031895 176023041 /nfs/dbraw/zinc/02/30/41/176023041.db2.gz FVADECIEARLDIV-FZMZJTMJSA-N 1 0 264.344 2.486 10 0 CEAERO CCC[NH2+][C@H]1CCCN([C@H](C)Cc2ccco2)C1=O ZINC000071032172 176023241 /nfs/dbraw/zinc/02/32/41/176023241.db2.gz JWEJAMAUFXIDGW-OCCSQVGLSA-N 1 0 264.369 2.201 10 0 CEAERO CC[NH2+][C@H]1CCCN([C@@H](C)c2ccc(C)o2)C1=O ZINC000071033745 176024329 /nfs/dbraw/zinc/02/43/29/176024329.db2.gz BWXZZRKSAADGPR-RYUDHWBXSA-N 1 0 250.342 2.250 10 0 CEAERO C[NH2+][C@H]1CCCN(c2nc(C(C)(C)C)cs2)C1=O ZINC000071034795 176024547 /nfs/dbraw/zinc/02/45/47/176024547.db2.gz KHYHJWIQZMHFBL-VIFPVBQESA-N 1 0 267.398 2.155 10 0 CEAERO CCC[NH2+][C@@H]1CCCN(C[C@H]2CC=CCC2)C1=O ZINC000071034543 176024584 /nfs/dbraw/zinc/02/45/84/176024584.db2.gz OYPAKYLJCUTUBI-UONOGXRCSA-N 1 0 250.386 2.333 10 0 CEAERO CC(C)[NH2+][C@H]1CCCN(C[C@@H]2CC=CCC2)C1=O ZINC000071034564 176024595 /nfs/dbraw/zinc/02/45/95/176024595.db2.gz MAYXHXZOLJYBHH-KGLIPLIRSA-N 1 0 250.386 2.332 10 0 CEAERO C[NH2+][C@@H]1CCCN([C@H](C)c2cccc(F)c2)C1=O ZINC000071034933 176024749 /nfs/dbraw/zinc/02/47/49/176024749.db2.gz FVXITIWCIKPHDJ-ZWNOBZJWSA-N 1 0 250.317 2.097 10 0 CEAERO CC(C)[NH2+][C@H]1CCCN(Cc2ccc(F)c(F)c2)C1=O ZINC000071034461 176025015 /nfs/dbraw/zinc/02/50/15/176025015.db2.gz ZXVAVMYLTYWENZ-AWEZNQCLSA-N 1 0 282.334 2.454 10 0 CEAERO CCOc1cccc(N2CC[C@H]([NH2+]C(C)C)C2=O)c1 ZINC000071036724 176025730 /nfs/dbraw/zinc/02/57/30/176025730.db2.gz BBWVHISBDSRELD-AWEZNQCLSA-N 1 0 262.353 2.189 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCCN1CCc1ccc(F)cc1 ZINC000071038171 176027212 /nfs/dbraw/zinc/02/72/12/176027212.db2.gz JSVKXSSWQHMSJH-OAHLLOKOSA-N 1 0 276.355 2.111 10 0 CEAERO CCC[NH2+][C@@H]1CCCN(Cc2ccc(C)o2)C1=O ZINC000071042593 176028687 /nfs/dbraw/zinc/02/86/87/176028687.db2.gz VVCUYRUOAFANDA-CYBMUJFWSA-N 1 0 250.342 2.079 10 0 CEAERO CC[NH2+][C@H]1CCCN(c2ccc(F)c(C)c2)C1=O ZINC000071042696 176028707 /nfs/dbraw/zinc/02/87/07/176028707.db2.gz PZPLQFTVTWCOOZ-ZDUSSCGKSA-N 1 0 250.317 2.239 10 0 CEAERO CC(C)[NH2+][C@H]1CCN(c2cnc3ccccc3c2)C1=O ZINC000071042706 176028721 /nfs/dbraw/zinc/02/87/21/176028721.db2.gz YQXXTKOEVMHPFV-HNNXBMFYSA-N 1 0 269.348 2.338 10 0 CEAERO O[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000071091097 176031011 /nfs/dbraw/zinc/03/10/11/176031011.db2.gz LTUGVODMTREEIA-PMPSAXMXSA-N 1 0 261.365 2.194 10 0 CEAERO C[C@H](CN1CCCC1)[NH2+]C[C@H]1OCCc2ccccc21 ZINC000071090853 176031286 /nfs/dbraw/zinc/03/12/86/176031286.db2.gz CCONAKFKXOXOET-RHSMWYFYSA-N 1 0 274.408 2.374 10 0 CEAERO CCCCN(CC[NH3+])C[C@H]1OCCc2ccccc21 ZINC000071091572 176032077 /nfs/dbraw/zinc/03/20/77/176032077.db2.gz KSUWRYVTEOFNLL-MRXNPFEDSA-N 1 0 262.397 2.361 10 0 CEAERO C[NH2+][C@@H](C)c1cnn(C[C@H]2OCCc3ccccc32)c1 ZINC000071098981 176032549 /nfs/dbraw/zinc/03/25/49/176032549.db2.gz TXPNDZMTNOZIHP-BLLLJJGKSA-N 1 0 271.364 2.478 10 0 CEAERO C[C@H]([NH3+])Cc1cnn(C[C@H]2OCCc3ccccc32)c1 ZINC000071099174 176033012 /nfs/dbraw/zinc/03/30/12/176033012.db2.gz RZXOJBABUYFCEV-BLLLJJGKSA-N 1 0 271.364 2.087 10 0 CEAERO CC[C@@H]1CCC[C@](C[NH3+])(N2CCOCC2(C)C)C1 ZINC000071123759 176035209 /nfs/dbraw/zinc/03/52/09/176035209.db2.gz RRJYBNKHNSCKHA-HIFRSBDPSA-N 1 0 254.418 2.395 10 0 CEAERO CC[C@H]1CCC[C@@H](OC[C@]([NH2+]C2CC2)(C(N)=O)C2CC2)C1 ZINC000071134043 176035857 /nfs/dbraw/zinc/03/58/57/176035857.db2.gz UZLDSQUEGUTOCY-XGWLTEMNSA-N 1 0 294.439 2.358 10 0 CEAERO CN1C(=O)Cc2ccc([C@@H]([NH3+])CC(C)(C)C)cc2C1=O ZINC000071139421 176037935 /nfs/dbraw/zinc/03/79/35/176037935.db2.gz DEZVERDEEHXKHN-ZDUSSCGKSA-N 1 0 274.364 2.277 10 0 CEAERO C[C@@H]1CCC[C@@H]([N@H+](CC(N)=O)Cc2cccc(N)c2)C1 ZINC000071150524 176045331 /nfs/dbraw/zinc/04/53/31/176045331.db2.gz LNCJUSDLAQFNAT-IUODEOHRSA-N 1 0 275.396 2.135 10 0 CEAERO CC(C)(C)c1ccccc1NS(=O)(=O)C[C@@H]1CCC[NH2+]1 ZINC000071174640 176054241 /nfs/dbraw/zinc/05/42/41/176054241.db2.gz YPKWFNCKFWLGLN-LBPRGKRZSA-N 1 0 296.436 2.478 10 0 CEAERO COc1cncc(N(CCC[NH3+])c2cccc(C)c2)n1 ZINC000071175737 176054721 /nfs/dbraw/zinc/05/47/21/176054721.db2.gz HXLMFARKRKDXOG-UHFFFAOYSA-N 1 0 272.352 2.281 10 0 CEAERO CC(C)[NH2+]C[C@H]1CCCN1c1cncc(OC(C)C)n1 ZINC000071176820 176055250 /nfs/dbraw/zinc/05/52/50/176055250.db2.gz ZOSUFIZKIKQOGS-CYBMUJFWSA-N 1 0 278.400 2.231 10 0 CEAERO NC(=[NH2+])c1cnc(Sc2cc(F)ccc2F)cn1 ZINC000071180559 176056630 /nfs/dbraw/zinc/05/66/30/176056630.db2.gz UTUXWOCLBZKXDP-UHFFFAOYSA-N 1 0 266.276 2.190 10 0 CEAERO CCC[NH2+][C@H](C)c1ccccc1O[C@@H]1CCN(C)C1=O ZINC000071182921 176057997 /nfs/dbraw/zinc/05/79/97/176057997.db2.gz XKAZORDIQJVQPS-IUODEOHRSA-N 1 0 276.380 2.357 10 0 CEAERO CC[NH2+][C@H](C)c1cc(C)ccc1O[C@H]1CCN(C)C1=O ZINC000071182995 176058089 /nfs/dbraw/zinc/05/80/89/176058089.db2.gz DRFATIAQKVQTHL-DOMZBBRYSA-N 1 0 276.380 2.275 10 0 CEAERO CC[NH2+][C@H]1CCCc2cc(O[C@@H]3CCN(C)C3=O)ccc21 ZINC000071183079 176058672 /nfs/dbraw/zinc/05/86/72/176058672.db2.gz KLZRIKQMEFTLHB-JKSUJKDBSA-N 1 0 288.391 2.283 10 0 CEAERO CC[NH2+][C@@H]1CCCN(C[C@@H]2Cc3ccccc3O2)C1 ZINC000071199350 176077131 /nfs/dbraw/zinc/07/71/31/176077131.db2.gz VVNMGPQAXVDVNB-CABCVRRESA-N 1 0 260.381 2.064 10 0 CEAERO CC(C)[NH2+][C@@H]1CCCN(C[C@@H]2Cc3ccccc3O2)C1 ZINC000071199358 176077249 /nfs/dbraw/zinc/07/72/49/176077249.db2.gz GCDZNPCVJMYPOG-CVEARBPZSA-N 1 0 274.408 2.453 10 0 CEAERO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC(=O)N(C2CCCCC2)C1=O ZINC000071207060 176080298 /nfs/dbraw/zinc/08/02/98/176080298.db2.gz DWIUBHVRRRACNI-KWCYVHTRSA-N 1 0 278.396 2.225 10 0 CEAERO CC[NH2+]CCCCn1cc(C(F)(F)F)ccc1=O ZINC000071212193 176084283 /nfs/dbraw/zinc/08/42/83/176084283.db2.gz VLXHYACJRHCKBU-UHFFFAOYSA-N 1 0 262.275 2.257 10 0 CEAERO CCCC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C[NH3+])c1 ZINC000071244489 176094710 /nfs/dbraw/zinc/09/47/10/176094710.db2.gz UAZCXFKESLPVNC-SNVBAGLBSA-N 1 0 288.388 2.141 10 0 CEAERO [NH3+]Cc1cc(F)ccc1COc1cccc(CO)c1 ZINC000071264432 176097864 /nfs/dbraw/zinc/09/78/64/176097864.db2.gz YDIHZLCIBSFWEK-UHFFFAOYSA-N 1 0 261.296 2.356 10 0 CEAERO CN(Cc1cscn1)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267938 176101642 /nfs/dbraw/zinc/10/16/42/176101642.db2.gz QMHODJWINLYVLS-UHFFFAOYSA-N 1 0 278.356 2.198 10 0 CEAERO C[C@@H](Cc1cccs1)[NH2+]C[C@@H](O)COC(C)(C)C ZINC000071270588 176104008 /nfs/dbraw/zinc/10/40/08/176104008.db2.gz DLBWTTQJBXMJLI-NWDGAFQWSA-N 1 0 271.426 2.445 10 0 CEAERO CC(C)[NH2+]Cc1nnnn1[C@@H](C)Cc1cccs1 ZINC000071271990 176104639 /nfs/dbraw/zinc/10/46/39/176104639.db2.gz PHTCMGMTUQANLO-JTQLQIEISA-N 1 0 265.386 2.036 10 0 CEAERO COc1cccc(C2CC([NH2+]Cc3nccn3C)C2)c1 ZINC000071273225 176105056 /nfs/dbraw/zinc/10/50/56/176105056.db2.gz DLNHEKASIZRKIG-UHFFFAOYSA-N 1 0 271.364 2.465 10 0 CEAERO CC(C)Cc1ccc([C@@H](O)C[NH2+]Cc2nccn2C)cc1 ZINC000071274117 176105735 /nfs/dbraw/zinc/10/57/35/176105735.db2.gz HIIHLHOPPHPPDI-INIZCTEOSA-N 1 0 287.407 2.442 10 0 CEAERO CCOC(=O)CCCCC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000071293501 176111756 /nfs/dbraw/zinc/11/17/56/176111756.db2.gz QNCYQNQVKOHVKM-CHWSQXEVSA-N 1 0 257.374 2.267 10 0 CEAERO CC[C@@H]([NH2+]C[C@H](O)C1CC1)c1ccc2c(c1)CCO2 ZINC000071302305 176114541 /nfs/dbraw/zinc/11/45/41/176114541.db2.gz HZNHCDKWCRMGRG-CABCVRRESA-N 1 0 261.365 2.433 10 0 CEAERO CC(C)Cc1ccc([C@@H](O)C[NH2+]C[C@H](O)C2CC2)cc1 ZINC000071306049 176115555 /nfs/dbraw/zinc/11/55/55/176115555.db2.gz NCCMRCIRWGPHCN-IRXDYDNUSA-N 1 0 277.408 2.279 10 0 CEAERO c1cc(CNC2=[NH+]C[C@@H](C3CC3)S2)cc2c1OCO2 ZINC000071308079 176116247 /nfs/dbraw/zinc/11/62/47/176116247.db2.gz UVDHZVQKDCCQRL-ZDUSSCGKSA-N 1 0 276.361 2.386 10 0 CEAERO CN(CCSc1ccccc1F)[C@@H]1CC[NH2+]C1 ZINC000071311318 176118283 /nfs/dbraw/zinc/11/82/83/176118283.db2.gz RBSIUAHWULBJNE-LLVKDONJSA-N 1 0 254.374 2.212 10 0 CEAERO CCc1ccc(C(=O)N(CC)[C@H]2CC[NH2+]C2)s1 ZINC000071312412 176119264 /nfs/dbraw/zinc/11/92/64/176119264.db2.gz WAEZBKUBNWZPPO-JTQLQIEISA-N 1 0 252.383 2.135 10 0 CEAERO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)/C=C/c1ccccc1 ZINC000071330544 176124372 /nfs/dbraw/zinc/12/43/72/176124372.db2.gz IUDZHGICXOWMMJ-SAAWKEMMSA-N 1 0 294.420 2.061 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]Cc2ccnn2C)c1C ZINC000071333659 176126566 /nfs/dbraw/zinc/12/65/66/176126566.db2.gz MIIHWEWYQDHXPJ-SNVBAGLBSA-N 1 0 261.373 2.104 10 0 CEAERO C[C@@H]1CCC[NH2+][C@@H]1CNC(=O)c1cccc(F)c1F ZINC000071338796 176129106 /nfs/dbraw/zinc/12/91/06/176129106.db2.gz QUWAZBRDNFPLGF-BXKDBHETSA-N 1 0 268.307 2.083 10 0 CEAERO Cc1cc(C(=O)NC[C@@H]2[NH2+]CCC[C@H]2C)ccc1F ZINC000071338865 176129423 /nfs/dbraw/zinc/12/94/23/176129423.db2.gz RQNQKMGEYQNVLH-YGRLFVJLSA-N 1 0 264.344 2.252 10 0 CEAERO C[C@H]1CCC[NH2+][C@@H]1CN1C(=O)CC2(CCCC2)CC1=O ZINC000071339278 176129529 /nfs/dbraw/zinc/12/95/29/176129529.db2.gz KJGTXJPVJUGWQI-QWHCGFSZSA-N 1 0 278.396 2.084 10 0 CEAERO CC[C@@H](C)[C@H]1CNC(C)(C)C[N@@H+]1CCn1ccnc1C ZINC000071342596 176130588 /nfs/dbraw/zinc/13/05/88/176130588.db2.gz PQRCPGVGSHMIBB-UKRRQHHQSA-N 1 0 278.444 2.290 10 0 CEAERO CC1(C)CN(Cc2ncccn2)C2(CCCCC2)C[NH2+]1 ZINC000071343286 176130782 /nfs/dbraw/zinc/13/07/82/176130782.db2.gz NVTBIKHFANBZLT-UHFFFAOYSA-N 1 0 274.412 2.363 10 0 CEAERO CC[C@]1(C)C[NH2+]C(C)(C)CN1Cc1cccc(OC)n1 ZINC000071343129 176131155 /nfs/dbraw/zinc/13/11/55/176131155.db2.gz ARNNPVAQTJXETI-MRXNPFEDSA-N 1 0 277.412 2.443 10 0 CEAERO CC[C@H]1CN(Cc2cccc(OC)n2)[C@@](C)(CC)C[NH2+]1 ZINC000071344913 176131506 /nfs/dbraw/zinc/13/15/06/176131506.db2.gz IGUADXRXWTVIQL-BBRMVZONSA-N 1 0 277.412 2.443 10 0 CEAERO COc1cccc(CN2C[C@@H](C(C)(C)C)[NH2+]C[C@@H]2C)n1 ZINC000071346064 176131932 /nfs/dbraw/zinc/13/19/32/176131932.db2.gz LOYQCPPJTVCJHX-JSGCOSHPSA-N 1 0 277.412 2.299 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@H](CC(C)C)CN1Cc1ncccn1 ZINC000071350277 176134119 /nfs/dbraw/zinc/13/41/19/176134119.db2.gz XEDZVBSEVVJLQY-LSDHHAIUSA-N 1 0 276.428 2.465 10 0 CEAERO Cc1nccn1CCN1C[C@@H](CC(C)C)[NH2+]C[C@@H]1C1CC1 ZINC000071351162 176134353 /nfs/dbraw/zinc/13/43/53/176134353.db2.gz ABSDEHQWMBARGP-IAGOWNOFSA-N 1 0 290.455 2.290 10 0 CEAERO CC(C)[C@H]1C[NH2+][C@H](Cc2ccccc2)CN1[C@@H]1CCOC1 ZINC000071352966 176135857 /nfs/dbraw/zinc/13/58/57/176135857.db2.gz UEYXFSHYVRYCDN-KZNAEPCWSA-N 1 0 288.435 2.316 10 0 CEAERO CC[C@@H]1C[NH2+][C@@](C)(CC)CN1CCOCC(F)(F)F ZINC000071356590 176136925 /nfs/dbraw/zinc/13/69/25/176136925.db2.gz KLVILLPNSRZAQT-NEPJUHHUSA-N 1 0 282.350 2.418 10 0 CEAERO CCC[C@@H]1C[NH2+][C@H]([C@@H](C)CC)CN1Cc1cnn(C)c1 ZINC000071354702 176137006 /nfs/dbraw/zinc/13/70/06/176137006.db2.gz LGZCTAJGYUPDNN-IMJJTQAJSA-N 1 0 278.444 2.409 10 0 CEAERO C[C@@]1(C2CC2)C[NH2+]C2(CCCC2)CN1Cc1ncccn1 ZINC000071359184 176137722 /nfs/dbraw/zinc/13/77/22/176137722.db2.gz XPYHSLGCYZAIAH-INIZCTEOSA-N 1 0 286.423 2.363 10 0 CEAERO CC[C@]1(C)C[N@H+](CCOC)C2(CCCCC2)CN1 ZINC000071358038 176137937 /nfs/dbraw/zinc/13/79/37/176137937.db2.gz UYQFHTGZGZFEIR-CQSZACIVSA-N 1 0 254.418 2.410 10 0 CEAERO C[NH+](C)CCCOc1nc2ccccc2cc1C(N)=S ZINC000071387175 176147949 /nfs/dbraw/zinc/14/79/49/176147949.db2.gz RRLCRXYUMBDNFT-UHFFFAOYSA-N 1 0 289.404 2.200 10 0 CEAERO C[C@H](CNc1nc2ccccc2cc1C(N)=S)[NH+](C)C ZINC000071386858 176147994 /nfs/dbraw/zinc/14/79/94/176147994.db2.gz KWAIPFVDRGVMFI-SNVBAGLBSA-N 1 0 288.420 2.231 10 0 CEAERO NC(=[NH2+])c1cc2ccccc2nc1Sc1ncccn1 ZINC000071390458 176148334 /nfs/dbraw/zinc/14/83/34/176148334.db2.gz FFETYMLBIOLXIB-UHFFFAOYSA-N 1 0 281.344 2.460 10 0 CEAERO Cc1nnc(Sc2nc3ccccc3cc2C(N)=[NH2+])n1C ZINC000071390492 176148534 /nfs/dbraw/zinc/14/85/34/176148534.db2.gz UEVJYSUHARATGW-UHFFFAOYSA-N 1 0 298.375 2.107 10 0 CEAERO CCc1cc2c(ncnc2N[C@H]2CCC[NH2+]C2)s1 ZINC000071397637 176151157 /nfs/dbraw/zinc/15/11/57/176151157.db2.gz GDESQFKSMCJVJE-VIFPVBQESA-N 1 0 262.382 2.418 10 0 CEAERO C[NH+](C)CCOc1ccc(CO)cc1C(F)(F)F ZINC000071399289 176152032 /nfs/dbraw/zinc/15/20/32/176152032.db2.gz GTOBBADLDPNXGZ-UHFFFAOYSA-N 1 0 263.259 2.138 10 0 CEAERO [NH3+][C@@H](CCC(=O)N1CCCC[C@@H]1CCO)c1ccccc1 ZINC000071400181 176152626 /nfs/dbraw/zinc/15/26/26/176152626.db2.gz UNVISYVKLNAWRZ-CVEARBPZSA-N 1 0 290.407 2.230 10 0 CEAERO CCN(CC)C(=O)[C@@H](C)Oc1ccc(C)cc1C[NH3+] ZINC000071403398 176154792 /nfs/dbraw/zinc/15/47/92/176154792.db2.gz HPPASEOIZNEYEL-GFCCVEGCSA-N 1 0 264.369 2.089 10 0 CEAERO CCNC(=O)[C@@H](C)Oc1ccc(C)cc1C[C@@H]([NH3+])CC ZINC000071412124 176157568 /nfs/dbraw/zinc/15/75/68/176157568.db2.gz MMZVIBDLFZPWEI-OCCSQVGLSA-N 1 0 278.396 2.178 10 0 CEAERO CCC[C@@]1(C(=O)Nc2cnccc2C)CCC[NH2+]C1 ZINC000071414205 176159334 /nfs/dbraw/zinc/15/93/34/176159334.db2.gz AGQYLRWGVBRGIV-OAHLLOKOSA-N 1 0 261.369 2.498 10 0 CEAERO CC[NH2+][C@H](C)C(=O)c1cc(OC)c(C)cc1OC ZINC000071573175 176199572 /nfs/dbraw/zinc/19/95/72/176199572.db2.gz SWLJDKLLOYERQI-SNVBAGLBSA-N 1 0 251.326 2.193 10 0 CEAERO COc1ccc([C@](C)(O)[C@@H]2CCC[NH2+]C2)cc1F ZINC000071574645 176201501 /nfs/dbraw/zinc/20/15/01/176201501.db2.gz BCSGWDWZDIKELU-RISCZKNCSA-N 1 0 253.317 2.041 10 0 CEAERO Brc1ccc([C@@H]2C[NH2+]CCOC2)cc1 ZINC000071577314 176205697 /nfs/dbraw/zinc/20/56/97/176205697.db2.gz WWGUVIDNIBZLRH-SNVBAGLBSA-N 1 0 256.143 2.153 10 0 CEAERO [NH3+][C@H](CO)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC000072199232 176339782 /nfs/dbraw/zinc/33/97/82/176339782.db2.gz IEIILWIPBWKNIJ-SSDOTTSWSA-N 1 0 255.623 2.231 10 0 CEAERO COc1ccc([C@H]2Cc3n[nH]cc3[C@H]([NH3+])C2)c(OC)c1 ZINC000072415369 176399292 /nfs/dbraw/zinc/39/92/92/176399292.db2.gz APDCQNAHPISFBL-NOZJJQNGSA-N 1 0 273.336 2.157 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CCO[C@H]1CC1(F)F ZINC000659996166 415835873 /nfs/dbraw/zinc/83/58/73/415835873.db2.gz YGGRQJIWFMWAHJ-MCIONIFRSA-N 1 0 288.382 2.359 10 0 CEAERO Cc1nccnc1N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656607978 415783283 /nfs/dbraw/zinc/78/32/83/415783283.db2.gz GFGSSDXYBWBMAY-CQSZACIVSA-N 1 0 260.385 2.001 10 0 CEAERO [NH3+]C1(CNc2ccc(C(F)(F)F)nn2)CCCC1 ZINC000656610714 415786799 /nfs/dbraw/zinc/78/67/99/415786799.db2.gz PWUIZPKCLZLGTK-UHFFFAOYSA-N 1 0 260.263 2.179 10 0 CEAERO [NH3+]C1(CNc2nc(C(F)(F)F)ns2)CCCC1 ZINC000656610887 415787026 /nfs/dbraw/zinc/78/70/26/415787026.db2.gz UDFKLNJUMFPFEW-UHFFFAOYSA-N 1 0 266.292 2.240 10 0 CEAERO CC[C@H]([NH2+]C)C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000662368340 415806350 /nfs/dbraw/zinc/80/63/50/415806350.db2.gz PRCIKSUQNVRVOP-RTBKNWGFSA-N 1 0 266.307 2.222 10 0 CEAERO O=C(C[C@H]1CC[NH2+]C1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000662367736 415807911 /nfs/dbraw/zinc/80/79/11/415807911.db2.gz FVSDAPSQBPVGBA-OUAUKWLOSA-N 1 0 278.318 2.223 10 0 CEAERO CC[C@H]([NH2+]C)C(=O)N1CCCC[C@H]1c1nccs1 ZINC000662480272 415859483 /nfs/dbraw/zinc/85/94/83/415859483.db2.gz JFSFBTIVNRWPBY-QWRGUYRKSA-N 1 0 267.398 2.195 10 0 CEAERO O=C(CC[NH+]1CCCC1)NCc1ccc(Cl)cc1 ZINC000074693608 176600298 /nfs/dbraw/zinc/60/02/98/176600298.db2.gz ONVDCWRIFDZAHQ-UHFFFAOYSA-N 1 0 266.772 2.442 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC[C@H](C2CCC2)C1 ZINC000662716498 415942392 /nfs/dbraw/zinc/94/23/92/415942392.db2.gz UKYHZOHYKSZLRX-FPMFFAJLSA-N 1 0 252.402 2.399 10 0 CEAERO COc1cc([C@@H](C[NH3+])N(C)C(C)C)c(OC)cc1C ZINC000076375189 177010787 /nfs/dbraw/zinc/01/07/87/177010787.db2.gz GPIZKHKKSJZHRV-CYBMUJFWSA-N 1 0 266.385 2.352 10 0 CEAERO C[NH2+]CCC(=O)N[C@@H](C)c1ccc(OC)c(Cl)c1 ZINC000076408953 177019920 /nfs/dbraw/zinc/01/99/20/177019920.db2.gz BUFIEOGXSXIKMB-VIFPVBQESA-N 1 0 270.760 2.135 10 0 CEAERO C[NH2+]CCC(=O)N[C@@H](C)c1ccc(OC)cc1Cl ZINC000076408966 177020188 /nfs/dbraw/zinc/02/01/88/177020188.db2.gz YLMGNMUQJUGPPK-VIFPVBQESA-N 1 0 270.760 2.135 10 0 CEAERO O=C(OCc1ccccc1Br)[C@H]1CCC[NH2+]1 ZINC000076489379 177027637 /nfs/dbraw/zinc/02/76/37/177027637.db2.gz OLLCXSZTHIEVKR-LLVKDONJSA-N 1 0 284.153 2.244 10 0 CEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC(C)(C)C ZINC000076552234 177037262 /nfs/dbraw/zinc/03/72/62/177037262.db2.gz MDKCAEMNZGJLGI-LBPRGKRZSA-N 1 0 257.422 2.308 10 0 CEAERO COc1ccc(NC(=O)C[C@H](C[NH3+])C(C)C)cc1 ZINC000076654689 177044337 /nfs/dbraw/zinc/04/43/37/177044337.db2.gz YQEWWMJYZVCHAA-LLVKDONJSA-N 1 0 250.342 2.255 10 0 CEAERO CC[C@@H](C)NC(=O)[C@@H](CC[NH3+])c1cccc(F)c1 ZINC000076656573 177045747 /nfs/dbraw/zinc/04/57/47/177045747.db2.gz ROBMQTSDRQENLS-MFKMUULPSA-N 1 0 252.333 2.173 10 0 CEAERO Cc1ccccc1CN(CC[NH3+])Cc1ccncc1 ZINC000076660939 177048645 /nfs/dbraw/zinc/04/86/45/177048645.db2.gz IKWGRANDQMMDPZ-UHFFFAOYSA-N 1 0 255.365 2.351 10 0 CEAERO COc1ccc(NC(=O)[C@@H](C)CC[NH3+])cc1Cl ZINC000076663453 177050077 /nfs/dbraw/zinc/05/00/77/177050077.db2.gz YMPHCTOREOOBBC-QMMMGPOBSA-N 1 0 256.733 2.272 10 0 CEAERO COc1cccc(OC[C@H](C[NH3+])c2ccccn2)c1 ZINC000076666156 177051044 /nfs/dbraw/zinc/05/10/44/177051044.db2.gz KOZVBERJEKUESO-LBPRGKRZSA-N 1 0 258.321 2.212 10 0 CEAERO C[C@@H](C[NH3+])CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000076721172 177069778 /nfs/dbraw/zinc/06/97/78/177069778.db2.gz RMTBKNJVQBBVJB-CQSZACIVSA-N 1 0 274.408 2.453 10 0 CEAERO Cc1ncc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000076722859 177070451 /nfs/dbraw/zinc/07/04/51/177070451.db2.gz ZZPPYLIFMCIUTC-OAHLLOKOSA-N 1 0 268.364 2.471 10 0 CEAERO COC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)CC[NH3+])c1 ZINC000076772535 177087213 /nfs/dbraw/zinc/08/72/13/177087213.db2.gz YRWLGZNDZCVCDN-QMMMGPOBSA-N 1 0 284.743 2.050 10 0 CEAERO C[C@H](C[NH+]1CCCCC1)C(=O)c1ccc(CO)cc1 ZINC000077293515 177250100 /nfs/dbraw/zinc/25/01/00/177250100.db2.gz MBFHFUBFALKDKH-CYBMUJFWSA-N 1 0 261.365 2.484 10 0 in-vitro CEAERO COC[C@H]1CC[N@H+](Cc2cc(C(C)=O)ccc2OC)C1 ZINC000077897447 177307397 /nfs/dbraw/zinc/30/73/97/177307397.db2.gz GVZJAAHSNRNTMW-ZDUSSCGKSA-N 1 0 277.364 2.366 10 0 CEAERO CC[C@@H](CC[NH3+])CCC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000079210951 177447273 /nfs/dbraw/zinc/44/72/73/177447273.db2.gz SZKCZZOGZZNCGG-UKRRQHHQSA-N 1 0 290.407 2.262 10 0 CEAERO C[C@H](CCc1ccco1)NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+] ZINC000079532422 177516985 /nfs/dbraw/zinc/51/69/85/177516985.db2.gz IVCYKOOUNRIALK-AMVBZWJASA-N 1 0 276.380 2.090 10 0 CEAERO CC[C@@H](COC)[NH2+]Cc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000079742214 177548406 /nfs/dbraw/zinc/54/84/06/177548406.db2.gz KUQPEHLWISSJCV-JTQLQIEISA-N 1 0 295.408 2.116 10 0 CEAERO Cc1nn(-c2nc3sccn3c2C[C@@H](C)[NH3+])cc1Cl ZINC000080037296 177599349 /nfs/dbraw/zinc/59/93/49/177599349.db2.gz BUXAWVWDLNCNIY-SSDOTTSWSA-N 1 0 295.799 2.433 10 0 CEAERO COCCCn1ccc2c1cccc2C[NH2+]CCOC ZINC000080089802 177605648 /nfs/dbraw/zinc/60/56/48/177605648.db2.gz YGDVBVXFFYZQLW-UHFFFAOYSA-N 1 0 276.380 2.414 10 0 CEAERO CCCNC(=O)C[NH2+][C@H]1C(C)(C)[C@H]2CC[C@]1(C)C2 ZINC000080141052 177613700 /nfs/dbraw/zinc/61/37/00/177613700.db2.gz SCUIIJNZXFNHBU-CORIIIEPSA-N 1 0 252.402 2.317 10 0 CEAERO CC[C@@](C)(O)C[N@@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000189205051 287393782 /nfs/dbraw/zinc/39/37/82/287393782.db2.gz IFUXLJVFTDUBNW-UKRRQHHQSA-N 1 0 271.401 2.201 10 0 CEAERO C[C@]1(C(=O)N2CCC3(CC3(F)F)CC2)CCCC[NH2+]1 ZINC000405108570 419402180 /nfs/dbraw/zinc/40/21/80/419402180.db2.gz MGGQFTWMPJPDRZ-GFCCVEGCSA-N 1 0 272.339 2.166 10 0 CEAERO O[C@H](COCc1ccccc1)CN1CCCC(F)(F)C1 ZINC000405110696 419402361 /nfs/dbraw/zinc/40/23/61/419402361.db2.gz NFXJGZCELGTDQH-AWEZNQCLSA-N 1 0 285.334 2.295 10 0 CEAERO c1nc2c(c(N3CCC([NH2+]CC4CC4)CC3)n1)CCCC2 ZINC000133711901 419432050 /nfs/dbraw/zinc/43/20/50/419432050.db2.gz XHZNHXHOVHRFJT-UHFFFAOYSA-N 1 0 286.423 2.324 10 0 CEAERO Cc1noc(C)c1[C@@H](C)NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000136187228 419441737 /nfs/dbraw/zinc/44/17/37/419441737.db2.gz ZACCRUDDBHCTBZ-OTYXRUKQSA-N 1 0 265.357 2.001 10 0 CEAERO COc1ccc(NC(=O)C[C@@H]([NH3+])C(C)C)c(OC)c1 ZINC000136293334 419443398 /nfs/dbraw/zinc/44/33/98/419443398.db2.gz ICFASDHUCJJZDC-LLVKDONJSA-N 1 0 266.341 2.016 10 0 CEAERO COc1ccc(C)cc1NC(=O)C[C@H]([NH3+])C(C)C ZINC000136298885 419444669 /nfs/dbraw/zinc/44/46/69/419444669.db2.gz ODESZCJUUFHTBQ-NSHDSACASA-N 1 0 250.342 2.316 10 0 CEAERO CCc1nc(NC(=O)C[C@@H]([NH3+])C(C)C)sc1C ZINC000136440345 419446831 /nfs/dbraw/zinc/44/68/31/419446831.db2.gz ZCUQUSSPIDTODF-SECBINFHSA-N 1 0 255.387 2.326 10 0 CEAERO COCCN(Cc1ccccc1)C(=O)C[C@@H]([NH3+])C(C)C ZINC000136373646 419447154 /nfs/dbraw/zinc/44/71/54/419447154.db2.gz FQTQCISSMNXKJJ-OAHLLOKOSA-N 1 0 278.396 2.035 10 0 CEAERO CC[C@@H](NC(=O)C[C@H]([NH3+])C(C)C)c1nccs1 ZINC000136471238 419447985 /nfs/dbraw/zinc/44/79/85/419447985.db2.gz FYYJYPWGOQNQSP-VHSXEESVSA-N 1 0 255.387 2.084 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H]1CCc2ccccc2C1 ZINC000136450600 419448808 /nfs/dbraw/zinc/44/88/08/419448808.db2.gz ZGRXZMMWGIQKEA-GJZGRUSLSA-N 1 0 260.381 2.034 10 0 CEAERO CCN1CC[C@H]([NH2+]Cc2nc3c(s2)CCCC3)C1 ZINC000666466472 419682025 /nfs/dbraw/zinc/68/20/25/419682025.db2.gz FIGXKPQJFDNXDP-NSHDSACASA-N 1 0 265.426 2.206 10 0 CEAERO Cc1noc(C[NH2+][C@@H](C)CCc2ccc3c(c2)OCO3)n1 ZINC000038034490 260124468 /nfs/dbraw/zinc/12/44/68/260124468.db2.gz BNHLYVJFRRSOSB-JTQLQIEISA-N 1 0 289.335 2.218 10 0 CEAERO C[C@@H](COCc1ccccc1)NC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000390728019 262247099 /nfs/dbraw/zinc/24/70/99/262247099.db2.gz SXJMFUVSIORVMF-IJEWVQPXSA-N 1 0 290.407 2.096 10 0 CEAERO CC(C)CC1(CNC(=O)[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000392004399 265040952 /nfs/dbraw/zinc/04/09/52/265040952.db2.gz OOOAVPUAWNLNMV-QWHCGFSZSA-N 1 0 252.402 2.317 10 0 CEAERO CCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000035018763 270224626 /nfs/dbraw/zinc/22/46/26/270224626.db2.gz HVLUWUKJBFDBBJ-NEPJUHHUSA-N 1 0 292.379 2.023 10 0 CEAERO C[C@@H]([NH3+])[C@H]1CCN(c2ccc(Br)cn2)C1 ZINC000168573281 278318552 /nfs/dbraw/zinc/31/85/52/278318552.db2.gz JHIYUEWXEPILEN-BDAKNGLRSA-N 1 0 270.174 2.018 10 0 CEAERO CCc1cccc(C[N@@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000189526128 270263004 /nfs/dbraw/zinc/26/30/04/270263004.db2.gz MJRXLVPKCSBABQ-CRAIPNDOSA-N 1 0 288.435 2.402 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(C)c(F)c2)C1 ZINC000194311199 270296597 /nfs/dbraw/zinc/29/65/97/270296597.db2.gz AUEPNRXTXMMRGK-CQSZACIVSA-N 1 0 293.386 2.418 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)[C@H](C)c2cccnc2)C1 ZINC000250032091 270328047 /nfs/dbraw/zinc/32/80/47/270328047.db2.gz DVTIPZMGDJBIAY-UKRRQHHQSA-N 1 0 290.411 2.268 10 0 CEAERO Fc1ccc(Br)cc1CCN[C@H]1CC[NH2+]C1 ZINC000259102059 270329381 /nfs/dbraw/zinc/32/93/81/270329381.db2.gz SDVVTUUPWOXERW-NSHDSACASA-N 1 0 287.176 2.082 10 0 CEAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000392859792 270341558 /nfs/dbraw/zinc/34/15/58/270341558.db2.gz IRGWEUBQJMLIIB-ABAIWWIYSA-N 1 0 258.365 2.321 10 0 CEAERO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1ncccc1C(=O)OC ZINC000399662200 270371426 /nfs/dbraw/zinc/37/14/26/270371426.db2.gz LOLDSSLRPGNLTJ-NEPJUHHUSA-N 1 0 262.353 2.489 10 0 CEAERO CC(C)OCc1ccc(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000423953163 270991794 /nfs/dbraw/zinc/99/17/94/270991794.db2.gz NHQKOIAUGFOANE-SWLSCSKDSA-N 1 0 276.380 2.031 10 0 CEAERO Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000423958236 270993244 /nfs/dbraw/zinc/99/32/44/270993244.db2.gz QIBWMYJFJULOTA-LOWVWBTDSA-N 1 0 296.798 2.221 10 0 CEAERO C[NH2+][C@H]1CCN(c2ncnc3sc(C)c(C)c32)C1 ZINC000129120894 273975396 /nfs/dbraw/zinc/97/53/96/273975396.db2.gz NTBNYWNYRWWEAS-JTQLQIEISA-N 1 0 262.382 2.106 10 0 CEAERO CCCC[C@@H](COC)[NH2+][C@H]1CCCn2nc(C)nc21 ZINC000090225287 275981936 /nfs/dbraw/zinc/98/19/36/275981936.db2.gz SCOQWLCIHAHKMQ-STQMWFEESA-N 1 0 266.389 2.216 10 0 CEAERO CC(C)[C@H](C[NH3+])C(=O)N1CCC(Oc2ccccc2)CC1 ZINC000087522919 276016273 /nfs/dbraw/zinc/01/62/73/276016273.db2.gz CTVSSTKQNBUGHJ-INIZCTEOSA-N 1 0 290.407 2.287 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ncccc1C ZINC000177024792 276180659 /nfs/dbraw/zinc/18/06/59/276180659.db2.gz XMWDVUAJGLDNEO-ZDUSSCGKSA-N 1 0 276.384 2.338 10 0 CEAERO CC[C@@H]([NH2+]CCn1cc(C)cn1)c1ccc(F)cn1 ZINC000226611675 276436375 /nfs/dbraw/zinc/43/63/75/276436375.db2.gz RFBGXLDQKVECIA-CYBMUJFWSA-N 1 0 262.332 2.467 10 0 CEAERO CN1c2ccccc2[C@H]([NH2+]C[C@]2(C)CCCO2)CC1=O ZINC000094796888 276992759 /nfs/dbraw/zinc/99/27/59/276992759.db2.gz BSAJPVDQTKSVOI-CJNGLKHVSA-N 1 0 274.364 2.253 10 0 CEAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCCn1ccnc1 ZINC000245874159 277105562 /nfs/dbraw/zinc/10/55/62/277105562.db2.gz LXOTVEZEZVELPZ-ZNMIVQPWSA-N 1 0 291.395 2.079 10 0 CEAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C[C@H]1CCCCO1 ZINC000249716382 277105618 /nfs/dbraw/zinc/10/56/18/277105618.db2.gz ITLRVVONLBXLPJ-XGUBFFRZSA-N 1 0 281.396 2.362 10 0 CEAERO CN1CCO[C@H](C[NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)C1 ZINC000123494009 277128115 /nfs/dbraw/zinc/12/81/15/277128115.db2.gz KQAXZEATEQJHIV-IXDOHACOSA-N 1 0 288.435 2.489 10 0 CEAERO C[N@@H+]1CC[C@@H](C(=O)N2Cc3ccccc3C3(CCC3)C2)C1 ZINC000336138318 277133784 /nfs/dbraw/zinc/13/37/84/277133784.db2.gz PENAAXODXHUTBC-OAHLLOKOSA-N 1 0 284.403 2.402 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000096032658 277190283 /nfs/dbraw/zinc/19/02/83/277190283.db2.gz BSKPTFCIFODADH-HTQZYQBOSA-N 1 0 268.279 2.133 10 0 CEAERO CN1c2ccccc2[C@@H]([NH2+]C[C@H]2CCCOC2)CC1=O ZINC000038045125 277218000 /nfs/dbraw/zinc/21/80/00/277218000.db2.gz NXACLEVZNZXGSL-OCCSQVGLSA-N 1 0 274.364 2.110 10 0 CEAERO CC(C)(C)[C@H](O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000311920936 277253755 /nfs/dbraw/zinc/25/37/55/277253755.db2.gz GQKFQJSTALBTPU-GBJTYRQASA-N 1 0 269.429 2.409 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2N(C(=O)OC(C)(C)C)C[C@H]1O ZINC000034418957 277296469 /nfs/dbraw/zinc/29/64/69/277296469.db2.gz XMFDTGLPASMKMA-CHWSQXEVSA-N 1 0 278.352 2.063 10 0 CEAERO COC(=O)[C@H]1CCC[N@@H+]1C[C@H]1CCOc2ccccc21 ZINC000252787603 277389720 /nfs/dbraw/zinc/38/97/20/277389720.db2.gz BRHXPZOLOROWMU-TZMCWYRMSA-N 1 0 275.348 2.190 10 0 CEAERO C[C@@H]1CCN(C(=O)Cc2ccc(F)cc2F)[C@@H](C[NH3+])C1 ZINC000235327314 277738446 /nfs/dbraw/zinc/73/84/46/277738446.db2.gz UDCLQXOCEWCDBK-ZWNOBZJWSA-N 1 0 282.334 2.093 10 0 CEAERO COc1cc(C)nc(N[C@H](C[NH3+])C2CCCCC2)n1 ZINC000164219679 277811938 /nfs/dbraw/zinc/81/19/38/277811938.db2.gz DRQSBBVTUBNKPQ-GFCCVEGCSA-N 1 0 264.373 2.113 10 0 CEAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N[C@@H]2C)c2ccccc21 ZINC000290213261 278028273 /nfs/dbraw/zinc/02/82/73/278028273.db2.gz HIRGZERYGMGGPM-FKGLVLAHSA-N 1 0 258.365 2.492 10 0 CEAERO C[C@@H](C(=O)Nc1nc2c(s1)C[C@@H](C)CC2)C1C[NH2+]C1 ZINC000262282567 278216070 /nfs/dbraw/zinc/21/60/70/278216070.db2.gz XJMWERCZHJISRC-DTWKUNHWSA-N 1 0 279.409 2.062 10 0 CEAERO C[C@H]([NH3+])[C@@H]1CCN(c2ccc(Br)cn2)C1 ZINC000168572987 278228640 /nfs/dbraw/zinc/22/86/40/278228640.db2.gz JHIYUEWXEPILEN-DTWKUNHWSA-N 1 0 270.174 2.018 10 0 CEAERO CC(C)(C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000171587137 278264296 /nfs/dbraw/zinc/26/42/96/278264296.db2.gz XMXZUNIYKZPTBK-OAHLLOKOSA-N 1 0 290.382 2.410 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1ccc(F)cn1 ZINC000092751288 278270628 /nfs/dbraw/zinc/27/06/28/278270628.db2.gz VLWPTGQMPXMCEE-MISXGVKJSA-N 1 0 252.333 2.422 10 0 CEAERO C[C@H]1CCCN(c2ncccc2Br)[C@H]1C[NH3+] ZINC000252208622 278344522 /nfs/dbraw/zinc/34/45/22/278344522.db2.gz VRUQBPJFLDORSH-ONGXEEELSA-N 1 0 284.201 2.408 10 0 CEAERO C[C@H]1CCCN(c2ncc(Cl)cc2F)[C@@H]1C[NH3+] ZINC000094052571 278344621 /nfs/dbraw/zinc/34/46/21/278344621.db2.gz AUZKHDKMGRCJOM-GZMMTYOYSA-N 1 0 257.740 2.438 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cc(F)cc(F)c1 ZINC000180602334 278376248 /nfs/dbraw/zinc/37/62/48/278376248.db2.gz DLKRYBPDCKNOMY-NOZJJQNGSA-N 1 0 278.306 2.222 10 0 CEAERO Cc1ccc(-c2cc(C(=O)N[C@@H]3CCC[C@@H]3C[NH3+])[nH]n2)cc1 ZINC000237707664 278767465 /nfs/dbraw/zinc/76/74/65/278767465.db2.gz WQXURIVGTWPDEL-ZIAGYGMSSA-N 1 0 298.390 2.242 10 0 CEAERO C[C@@H]1CN(c2cncc(Br)c2)C[C@H]1[NH+](C)C ZINC000252748531 278809779 /nfs/dbraw/zinc/80/97/79/278809779.db2.gz TZOYYUJAJLPODG-BXKDBHETSA-N 1 0 284.201 2.230 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](C)CN1c1ccc(C(F)(F)F)cn1 ZINC000003716193 278844214 /nfs/dbraw/zinc/84/42/14/278844214.db2.gz IHQDPTSBLPWINU-DTWKUNHWSA-N 1 0 259.275 2.287 10 0 CEAERO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@@H]1CN(C)CCO1 ZINC000180495631 278880505 /nfs/dbraw/zinc/88/05/05/278880505.db2.gz CCNLBRBOQNWMMC-ZBFHGGJFSA-N 1 0 290.407 2.129 10 0 CEAERO C[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261722844 279015931 /nfs/dbraw/zinc/01/59/31/279015931.db2.gz KIKKAXUKDMGYQA-XNRPHZJLSA-N 1 0 272.392 2.335 10 0 CEAERO Cc1cnn([C@@H]2CCC[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C2)c1 ZINC000245455137 279034428 /nfs/dbraw/zinc/03/44/28/279034428.db2.gz ALLKJFUJALNYGV-HUUCEWRRSA-N 1 0 292.427 2.084 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C)C1 ZINC000263524253 279059738 /nfs/dbraw/zinc/05/97/38/279059738.db2.gz SNRSGZRAJBCBOL-APSKQVOWSA-N 1 0 282.428 2.338 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)C1 ZINC000263530547 279059791 /nfs/dbraw/zinc/05/97/91/279059791.db2.gz WGHHQDCKIIWHEA-MMFDQKDXSA-N 1 0 282.428 2.338 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1cc(C(F)(F)F)ccc1F ZINC000261694170 279114329 /nfs/dbraw/zinc/11/43/29/279114329.db2.gz HUFKWEHEMPGJFY-RDDDGLTNSA-N 1 0 290.260 2.406 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC(C)CC1 ZINC000079495928 279123103 /nfs/dbraw/zinc/12/31/03/279123103.db2.gz CWYNZDALRCFOOW-CQSZACIVSA-N 1 0 269.433 2.404 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccccc1NC ZINC000092634066 279301030 /nfs/dbraw/zinc/30/10/30/279301030.db2.gz ZSGSFRQIDQVGIY-CYBMUJFWSA-N 1 0 275.396 2.285 10 0 CEAERO Cn1cc([C@@H]2CCC[N@@H+]2C[C@@H]2CC3(CCC3)C(=O)O2)cn1 ZINC000191991852 279347081 /nfs/dbraw/zinc/34/70/81/279347081.db2.gz HQMLBYDBNFMDKP-KBPBESRZSA-N 1 0 289.379 2.043 10 0 CEAERO C[C@H](CSC(C)(C)C)[NH2+][C@H]1CCc2ncnn2C1 ZINC000180580685 279366321 /nfs/dbraw/zinc/36/63/21/279366321.db2.gz DDBGMMSTOVQVQH-MNOVXSKESA-N 1 0 268.430 2.103 10 0 CEAERO C[C@H]([NH3+])[C@H]1CCCN(c2ccc3c(n2)CCCC3=O)C1 ZINC000333475216 279419839 /nfs/dbraw/zinc/41/98/39/279419839.db2.gz DVDJRNYAGXAQKF-RYUDHWBXSA-N 1 0 273.380 2.164 10 0 CEAERO C[NH+](C)C[C@@H](NC(=O)c1cc(C2CC2)n[nH]1)c1ccccc1 ZINC000044858248 279602239 /nfs/dbraw/zinc/60/22/39/279602239.db2.gz XVSJHNRNNMOLJN-MRXNPFEDSA-N 1 0 298.390 2.320 10 0 CEAERO C[C@H]1CCN(c2ncnc3sccc32)C[C@H]1C[NH3+] ZINC000253197844 279732021 /nfs/dbraw/zinc/73/20/21/279732021.db2.gz VHYQJLNDUGMFKS-VHSXEESVSA-N 1 0 262.382 2.112 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1Nc1nnc(C(F)(F)F)s1 ZINC000229607544 280048961 /nfs/dbraw/zinc/04/89/61/280048961.db2.gz BYYNYSRGYGTMMF-PHDIDXHHSA-N 1 0 266.292 2.109 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCSC[C@H]1C ZINC000178728659 280104945 /nfs/dbraw/zinc/10/49/45/280104945.db2.gz SBZRBIVPEBCLLL-ZIAGYGMSSA-N 1 0 299.484 2.254 10 0 CEAERO CC(C)[C@H](C)NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000136269118 280219259 /nfs/dbraw/zinc/21/92/59/280219259.db2.gz NXKLBKGNICHNNZ-BFHYXJOUSA-N 1 0 267.417 2.157 10 0 CEAERO CCc1nnc(NC[C@@H]2[NH2+]CCCC2(C)C)nc1CC ZINC000234177193 280220296 /nfs/dbraw/zinc/22/02/96/280220296.db2.gz FESQTLXHCSZAOF-ZDUSSCGKSA-N 1 0 277.416 2.187 10 0 CEAERO CCc1ncnc(NCc2ccc(C[NH3+])cc2)c1F ZINC000234193397 280220428 /nfs/dbraw/zinc/22/04/28/280220428.db2.gz YBRXMXJHTNHTSR-UHFFFAOYSA-N 1 0 260.316 2.249 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NC1C[C@@H](C)O[C@H](C)C1 ZINC000245716524 280257925 /nfs/dbraw/zinc/25/79/25/280257925.db2.gz UENKAHDZUFMIIC-UMVBOHGHSA-N 1 0 299.459 2.218 10 0 CEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000245716529 280257932 /nfs/dbraw/zinc/25/79/32/280257932.db2.gz UENKAHDZUFMIIC-XGUBFFRZSA-N 1 0 299.459 2.218 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1scnc1C1CC1 ZINC000245854896 280262456 /nfs/dbraw/zinc/26/24/56/280262456.db2.gz JXNZFTJRGZFAQZ-JQWIXIFHSA-N 1 0 291.420 2.329 10 0 CEAERO CCN1CCC[C@H]([NH2+][C@H](C)c2cccc(CO)c2)C1 ZINC000245880291 280263794 /nfs/dbraw/zinc/26/37/94/280263794.db2.gz KUBPGLBBYPXAQH-CJNGLKHVSA-N 1 0 262.397 2.314 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CC[C@@H](C)[C@@H](C)C2)C1 ZINC000245919187 280266254 /nfs/dbraw/zinc/26/62/54/280266254.db2.gz NOFMCDJKHDGRLF-LXTVHRRPSA-N 1 0 281.444 2.403 10 0 CEAERO CSC[C@@H]1CCCN1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000246602386 280303069 /nfs/dbraw/zinc/30/30/69/280303069.db2.gz DDPNPNFLTGYDEQ-MELADBBJSA-N 1 0 299.484 2.252 10 0 CEAERO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CCc1cccnc1 ZINC000246798639 280310489 /nfs/dbraw/zinc/31/04/89/280310489.db2.gz SPPKKSRZGZYXBK-OAGGEKHMSA-N 1 0 288.391 2.430 10 0 CEAERO O=S1(=O)CC(CC[N@@H+]2CCC[C@H]3CCCC[C@@H]32)C1 ZINC000336427310 280342173 /nfs/dbraw/zinc/34/21/73/280342173.db2.gz NICCKRNERAYEEO-KGLIPLIRSA-N 1 0 271.426 2.076 10 0 CEAERO CCCCOC[C@H](O)C[N@H+](C)[C@H](C)c1cccnc1 ZINC000248655648 280357757 /nfs/dbraw/zinc/35/77/57/280357757.db2.gz QQANICQEUZYOJJ-UKRRQHHQSA-N 1 0 266.385 2.252 10 0 CEAERO CSC1(CNC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)CCC1 ZINC000248656557 280357823 /nfs/dbraw/zinc/35/78/23/280357823.db2.gz RRHSZPYBZQBKIJ-CHWSQXEVSA-N 1 0 299.484 2.300 10 0 CEAERO CC(C)N1CCC[C@H](N(C)[C@H](C)C(=O)OC(C)(C)C)C1=O ZINC000248757123 280363417 /nfs/dbraw/zinc/36/34/17/280363417.db2.gz PQVUZFRXNWLBKT-OLZOCXBDSA-N 1 0 298.427 2.048 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H]1CCC(C)(C)O1 ZINC000249131334 280385826 /nfs/dbraw/zinc/38/58/26/280385826.db2.gz FDKRHKCIIYAFKM-UONOGXRCSA-N 1 0 297.443 2.070 10 0 CEAERO CC[C@](C)(O)C[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000249319249 280393053 /nfs/dbraw/zinc/39/30/53/280393053.db2.gz FVQGMFAJFCMRAG-HOTGVXAUSA-N 1 0 263.381 2.091 10 0 CEAERO C[C@H](C[NH3+])Nc1noc2ccc(Br)cc21 ZINC000257711947 280525268 /nfs/dbraw/zinc/52/52/68/280525268.db2.gz GOGDESJGUPJVGJ-ZCFIWIBFSA-N 1 0 270.130 2.349 10 0 CEAERO Cc1cc(N2CCC[C@H]2C[NH3+])ncc1Br ZINC000163965316 280556143 /nfs/dbraw/zinc/55/61/43/280556143.db2.gz JRKMGFMSAQOXKX-VIFPVBQESA-N 1 0 270.174 2.080 10 0 CEAERO CCC[C@H]([NH2+]C[C@H]1CN(C)CCO1)[C@@H]1CC1(C)C ZINC000397748155 280683187 /nfs/dbraw/zinc/68/31/87/280683187.db2.gz BJVDBWXZUAEPQH-IHRRRGAJSA-N 1 0 254.418 2.121 10 0 CEAERO Cc1ccc2c(c1)CCCN2C(=O)[C@@H](C)C1C[NH2+]C1 ZINC000163854198 281051630 /nfs/dbraw/zinc/05/16/30/281051630.db2.gz DFUXUWHVFGKMPZ-LBPRGKRZSA-N 1 0 258.365 2.130 10 0 CEAERO CC(C)COc1cccc(C(=O)N2CC[C@H]([NH3+])[C@H]2C)c1 ZINC000423643160 281073906 /nfs/dbraw/zinc/07/39/06/281073906.db2.gz MFNMFLBGAMTPCK-DOMZBBRYSA-N 1 0 276.380 2.283 10 0 CEAERO Cc1ccccc1OCCCC(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000423658028 281076038 /nfs/dbraw/zinc/07/60/38/281076038.db2.gz CRUZDLPNOIZOLF-UONOGXRCSA-N 1 0 276.380 2.102 10 0 CEAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CCOC1CCC1 ZINC000376535250 288298394 /nfs/dbraw/zinc/29/83/94/288298394.db2.gz YHZONMZMGSOQBT-KGLIPLIRSA-N 1 0 252.402 2.114 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC(C)(C)C ZINC000174303660 281189570 /nfs/dbraw/zinc/18/95/70/281189570.db2.gz UEGUPOPZGAGXHE-QWHCGFSZSA-N 1 0 267.417 2.301 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCCOCC(F)(F)F ZINC000113269092 288305446 /nfs/dbraw/zinc/30/54/46/288305446.db2.gz XTIQTSBNEFWDES-VXGBXAGGSA-N 1 0 280.334 2.124 10 0 CEAERO Cc1cccc(N2CC[NH+](CC(C)(C)O)CC2)c1C ZINC000057899495 281228089 /nfs/dbraw/zinc/22/80/89/281228089.db2.gz HTGVTDJGSMMATJ-UHFFFAOYSA-N 1 0 262.397 2.196 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N(CC)C(C)C ZINC000245901500 288315779 /nfs/dbraw/zinc/31/57/79/288315779.db2.gz SGJYEJVFYSVLSD-KBPBESRZSA-N 1 0 267.417 2.395 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N(CC)CC ZINC000173832167 288308984 /nfs/dbraw/zinc/30/89/84/288308984.db2.gz LMPQTVAWGYIGGB-QWHCGFSZSA-N 1 0 253.390 2.007 10 0 CEAERO CC(=O)N[C@H]1CCC[N@H+](Cc2sccc2C)C1 ZINC000153901544 289127013 /nfs/dbraw/zinc/12/70/13/289127013.db2.gz KSFDJMQLNAKEFX-LBPRGKRZSA-N 1 0 252.383 2.157 10 0 CEAERO Cc1sc2ncnc(N3CC[NH2+]C[C@H]3C)c2c1C ZINC000054374905 294089600 /nfs/dbraw/zinc/08/96/00/294089600.db2.gz BSDZDRMLSZOUHF-MRVPVSSYSA-N 1 0 262.382 2.106 10 0 CEAERO [NH3+]C[C@H](C(=O)N1CCc2ccccc21)c1ccccc1 ZINC000061610872 295261273 /nfs/dbraw/zinc/26/12/73/295261273.db2.gz MSOCTVVILZQADI-HNNXBMFYSA-N 1 0 266.344 2.318 10 0 CEAERO [NH3+][C@H]1CCC[C@H](CNc2ccc(C(F)(F)F)nn2)C1 ZINC000227667145 295337607 /nfs/dbraw/zinc/33/76/07/295337607.db2.gz JGHSPJCSBDJVCO-IUCAKERBSA-N 1 0 274.290 2.425 10 0 CEAERO O=C(C1CCOCC1)N1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000068589961 295450737 /nfs/dbraw/zinc/45/07/37/295450737.db2.gz DVUDXDGNIFYFID-INIZCTEOSA-N 1 0 294.439 2.184 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCCC1(C)C ZINC000174979858 297093993 /nfs/dbraw/zinc/09/39/93/297093993.db2.gz WXICASCHJYJLFH-MGPQQGTHSA-N 1 0 279.428 2.443 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@H]1c1ccsc1 ZINC000235283089 297110870 /nfs/dbraw/zinc/11/08/70/297110870.db2.gz JXMMTBQBCZDFRI-RTXFEEFZSA-N 1 0 264.394 2.267 10 0 CEAERO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CCC[NH2+][C@@H]2C)c(C)c1 ZINC000189323576 301198723 /nfs/dbraw/zinc/19/87/23/301198723.db2.gz MOAIWMYCXXSSKN-ZIAGYGMSSA-N 1 0 296.436 2.031 10 0 CEAERO Cc1cc(C)n([C@H](C)CC(=O)N2CC[C@H](C)C[C@H]2C[NH3+])n1 ZINC000261797624 301254589 /nfs/dbraw/zinc/25/45/89/301254589.db2.gz MJCWJISUEJAOEJ-GLQYFDAESA-N 1 0 292.427 2.037 10 0 CEAERO Cc1ccccc1C1(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000171567224 302086352 /nfs/dbraw/zinc/08/63/52/302086352.db2.gz FRXWMFQQVJSUOA-OAHLLOKOSA-N 1 0 284.403 2.333 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000227399788 303425336 /nfs/dbraw/zinc/42/53/36/303425336.db2.gz RAUDTGNKXOPMSS-GMTAPVOTSA-N 1 0 278.318 2.162 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CSc2ccccc21 ZINC000220237048 303451734 /nfs/dbraw/zinc/45/17/34/303451734.db2.gz YRPABYCEBVBKDR-UPJWGTAASA-N 1 0 276.405 2.262 10 0 CEAERO [NH3+][C@@H]1CC[C@H](C(=O)NC2CCC(C(F)(F)F)CC2)C1 ZINC000091544523 303473255 /nfs/dbraw/zinc/47/32/55/303473255.db2.gz FXWMMPXDXMHYCN-QPBDYMMBSA-N 1 0 278.318 2.351 10 0 CEAERO CC(C)O[C@@H]1CC[N@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000515837768 313076999 /nfs/dbraw/zinc/07/69/99/313076999.db2.gz BTTNIMXWTMBCOY-DLBZAZTESA-N 1 0 293.407 2.063 10 0 CEAERO CC(C)(C)OC(=O)Nc1ccc(N2CC[NH2+]CC2)c(N)c1 ZINC000536954584 330382869 /nfs/dbraw/zinc/38/28/69/330382869.db2.gz ONWZDIGUYBDLMX-UHFFFAOYSA-N 1 0 292.383 2.025 10 0 CEAERO O=C(N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1)C(F)(F)F ZINC000306497768 333007368 /nfs/dbraw/zinc/00/73/68/333007368.db2.gz GSFJOXSSOIZLBU-CHWSQXEVSA-N 1 0 298.308 2.282 10 0 CEAERO CCOCc1cc([C@@H](O)C[NH2+]C(C)(C)C)ccc1O ZINC000169330066 333180535 /nfs/dbraw/zinc/18/05/35/333180535.db2.gz TXFGJJYAMPXTIJ-AWEZNQCLSA-N 1 0 267.369 2.350 10 0 CEAERO CC(C)(C)OC(=O)N1Cc2ccccc2[C@H]2C[NH2+]C[C@@H]21 ZINC000238111739 333183050 /nfs/dbraw/zinc/18/30/50/333183050.db2.gz CCFNXAQBRRJDFV-KGLIPLIRSA-N 1 0 274.364 2.493 10 0 CEAERO COC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)F ZINC000399771083 333249189 /nfs/dbraw/zinc/24/91/89/333249189.db2.gz ZRQLHUBZNNNCEJ-NEPJUHHUSA-N 1 0 269.291 2.173 10 0 CEAERO CC(C)[NH2+]CCS(=O)(=O)Nc1ccc(F)c(Cl)c1 ZINC000049642384 519722261 /nfs/dbraw/zinc/72/22/61/519722261.db2.gz HZGPZAODXLCQPQ-UHFFFAOYSA-N 1 0 294.779 2.219 10 0 CEAERO CC(C)[C@H](C[NH+](C)C)Nc1ccccc1C(N)=S ZINC000049224978 519815024 /nfs/dbraw/zinc/81/50/24/519815024.db2.gz FCGMEMXREFUXCI-ZDUSSCGKSA-N 1 0 265.426 2.319 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N[C@H](C)c1cc(C)oc1C ZINC000061299242 519905914 /nfs/dbraw/zinc/90/59/14/519905914.db2.gz XGLZMAPSYFKWEC-SNVBAGLBSA-N 1 0 252.358 2.462 10 0 CEAERO CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1cc(C)no1 ZINC000054602543 519910053 /nfs/dbraw/zinc/91/00/53/519910053.db2.gz VKHOPADPHVKWSA-AGUYFDCRSA-N 1 0 263.385 2.478 10 0 CEAERO CC[NH2+]CCC(=O)N[C@@H]1CCCc2sccc21 ZINC000061365581 519917208 /nfs/dbraw/zinc/91/72/08/519917208.db2.gz MJLZWZKEFVOGAV-LLVKDONJSA-N 1 0 252.383 2.241 10 0 CEAERO CCC[NH2+]C[C@@H]1CC[C@H](CN(C)Cc2cscn2)O1 ZINC000052503875 519926974 /nfs/dbraw/zinc/92/69/74/519926974.db2.gz QMLWBZZHMVCEOK-UONOGXRCSA-N 1 0 283.441 2.122 10 0 CEAERO CCC[NH2+]C[C@@H]1OCCN(C)[C@@H]1c1cccc(F)c1 ZINC000070285691 519927083 /nfs/dbraw/zinc/92/70/83/519927083.db2.gz DFGYIJDZTGVTPA-LSDHHAIUSA-N 1 0 266.360 2.197 10 0 CEAERO CCC[NH2+]Cc1cnn(Cc2ccccc2OC)c1 ZINC000054719580 519965620 /nfs/dbraw/zinc/96/56/20/519965620.db2.gz UNADUGOUKIPTNN-UHFFFAOYSA-N 1 0 259.353 2.440 10 0 CEAERO CC[NH2+]C[C@H]1CC[C@@H](COc2ccc(F)cc2)O1 ZINC000052667901 519978770 /nfs/dbraw/zinc/97/87/70/519978770.db2.gz IXRREJOLUFAQDS-KGLIPLIRSA-N 1 0 253.317 2.362 10 0 CEAERO CCCN[C@@H](CC[N@H+](C)C[C@@H](C)CC)C(=O)OCC ZINC000062447627 519994552 /nfs/dbraw/zinc/99/45/52/519994552.db2.gz QDRHVQOBDXDEPX-KBPBESRZSA-N 1 0 272.433 2.286 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccc(OC[C@@H](O)COC)cc1 ZINC000069053526 519989570 /nfs/dbraw/zinc/98/95/70/519989570.db2.gz WOZMVDMYGAZUDN-JSGCOSHPSA-N 1 0 267.369 2.133 10 0 CEAERO CC[NH2+]Cc1cnn([C@H]2CCCCC[C@@H]2O)c1C ZINC000054600496 520017537 /nfs/dbraw/zinc/01/75/37/520017537.db2.gz GLKDJPPJGSBCPT-KBPBESRZSA-N 1 0 251.374 2.167 10 0 CEAERO CCCN[C@@](C)(CCC[N@H+](CC)CC1CC1)C(=O)OC ZINC000069239519 520033601 /nfs/dbraw/zinc/03/36/01/520033601.db2.gz IEGRDISJTPFAJC-INIZCTEOSA-N 1 0 284.444 2.430 10 0 CEAERO CCC[NH2+][C@@](C)(CSc1cc(F)ccc1F)C(N)=O ZINC000045591058 520038045 /nfs/dbraw/zinc/03/80/45/520038045.db2.gz WANYHXYLLLJMDW-ZDUSSCGKSA-N 1 0 288.363 2.301 10 0 CEAERO CCCN[C@@](C)(C[C@@H](C)[N@H+](C)C1CCCCC1)C(N)=O ZINC000068620985 520039027 /nfs/dbraw/zinc/03/90/27/520039027.db2.gz CBFBRUHMTQLBEQ-CJNGLKHVSA-N 1 0 283.460 2.273 10 0 CEAERO CCCN[C@@](C[N@H+](C)C1CCCC1)(C(=O)OC)C1CC1 ZINC000069097362 520048028 /nfs/dbraw/zinc/04/80/28/520048028.db2.gz ANXKGVDRUIHICX-MRXNPFEDSA-N 1 0 282.428 2.182 10 0 CEAERO CCC[NH2+][C@H](CC[N@H+](CC)C1CCCC1)C(=O)[O-] ZINC000062448516 520070986 /nfs/dbraw/zinc/07/09/86/520070986.db2.gz YCIGCRGIRAWZLU-CYBMUJFWSA-N 1 0 256.390 2.094 10 0 CEAERO CCCN[C@H](CC[N@H+](C)[C@@H](C)C(C)C)C(=O)OCC ZINC000062449027 520071131 /nfs/dbraw/zinc/07/11/31/520071131.db2.gz WFQCHVUIAYQLOC-UONOGXRCSA-N 1 0 272.433 2.284 10 0 CEAERO CC[NH2+][C@@H](Cc1cnn(C)c1)c1cccc(OC)c1 ZINC000050542281 520105843 /nfs/dbraw/zinc/10/58/43/520105843.db2.gz VMJHJRCZANZMSA-HNNXBMFYSA-N 1 0 259.353 2.322 10 0 CEAERO CCCCC[N@H+](C[C@@](NCC)(C(N)=O)C1CC1)C(C)C ZINC000069132308 520174633 /nfs/dbraw/zinc/17/46/33/520174633.db2.gz PIZHPPIWLDCUPK-INIZCTEOSA-N 1 0 283.460 2.131 10 0 CEAERO CCN[C@H](CC[N@H+](C)[C@@H]1CCCC[C@@H]1C)C(=O)OC ZINC000062522736 520187690 /nfs/dbraw/zinc/18/76/90/520187690.db2.gz MEOUCJBUSCNUSI-BFHYXJOUSA-N 1 0 270.417 2.038 10 0 CEAERO CCN[C@H](C[N@H+](C)CC1CCCCC1)C(=O)OCC ZINC000045428606 520196056 /nfs/dbraw/zinc/19/60/56/520196056.db2.gz UACBZQLJDFJQHR-CQSZACIVSA-N 1 0 270.417 2.040 10 0 CEAERO CC[NH2+][C@H](c1ccc(CC)s1)[C@H]1COCCO1 ZINC000055299859 520208256 /nfs/dbraw/zinc/20/82/56/520208256.db2.gz UWYANTSKBGAFJP-YPMHNXCESA-N 1 0 255.383 2.377 10 0 CEAERO CC[NH+](CC)CCN[C@@]1(C(=O)OC)CCC[C@@H](C)[C@@H]1C ZINC000068631311 520690641 /nfs/dbraw/zinc/69/06/41/520690641.db2.gz ADADNRLLUZAXJO-YCPHGPKFSA-N 1 0 284.444 2.286 10 0 CEAERO CCC[C@@H](C(=O)N[C@H]1CCOc2c(F)cccc21)[NH+](C)C ZINC000189021731 500668820 /nfs/dbraw/zinc/66/88/20/500668820.db2.gz FSECNEBMNOBOEV-KBPBESRZSA-N 1 0 294.370 2.496 10 0 CEAERO CCOc1ccc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1F ZINC000135259246 500712469 /nfs/dbraw/zinc/71/24/69/500712469.db2.gz YDBDRWDXBPOSMT-ZJUUUORDSA-N 1 0 266.316 2.290 10 0 CEAERO CCOc1cc(C[NH2+][C@@H](CN(C)C)C(C)C)ccc1O ZINC000049195161 520727709 /nfs/dbraw/zinc/72/77/09/520727709.db2.gz GERIVBCFPFGZJA-AWEZNQCLSA-N 1 0 280.412 2.467 10 0 CEAERO CCC[C@H](C)C[C@H](C[NH2+]C)[C@@H]1CCS(=O)(=O)C1 ZINC000052949998 521025979 /nfs/dbraw/zinc/02/59/79/521025979.db2.gz HMFMBXJATULHSV-YNEHKIRRSA-N 1 0 261.431 2.083 10 0 CEAERO CCOC(=O)[C@@](C)(N)CCC[NH+]1CCC(C)(C)CC1 ZINC000061821833 521152614 /nfs/dbraw/zinc/15/26/14/521152614.db2.gz GDLZPAWAKIVEHW-HNNXBMFYSA-N 1 0 270.417 2.169 10 0 CEAERO CCOC(=O)[C@@](C[N@H+](C)CC(C)C)(NC1CC1)C1CC1 ZINC000069096606 521163865 /nfs/dbraw/zinc/16/38/65/521163865.db2.gz PAHFNHCEVXKZPQ-INIZCTEOSA-N 1 0 282.428 2.038 10 0 CEAERO CC[N@H+](CC[C@](C)(NC(C)C)C(=O)OC)CC1CC1 ZINC000069239687 521159384 /nfs/dbraw/zinc/15/93/84/521159384.db2.gz LCSNFBQNKARHCD-HNNXBMFYSA-N 1 0 270.417 2.038 10 0 CEAERO CCOC(=O)[C@H](CC[NH+](CC(C)C)CC(C)C)NC ZINC000062454214 521242458 /nfs/dbraw/zinc/24/24/58/521242458.db2.gz DIEWNHDWDRVFPA-AWEZNQCLSA-N 1 0 272.433 2.142 10 0 CEAERO CCC(C)(C)[N@H+](C)C[C@](NC(C)C)(C(=O)OC)C1CC1 ZINC000069446841 521305065 /nfs/dbraw/zinc/30/50/65/521305065.db2.gz KOPPCEKHYWDGFD-MRXNPFEDSA-N 1 0 284.444 2.427 10 0 CEAERO CCOC(=O)[C@](C)(C[C@@H](C)[N@@H+]1CCCC(C)(C)C1)NC ZINC000068647861 521322683 /nfs/dbraw/zinc/32/26/83/521322683.db2.gz FSIGZCRQSNOGFN-CJNGLKHVSA-N 1 0 284.444 2.428 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1C(=O)c1ccc(Cl)c(N)c1 ZINC000061641664 521863286 /nfs/dbraw/zinc/86/32/86/521863286.db2.gz NXWPTZUDAKSRGP-LLVKDONJSA-N 1 0 281.787 2.088 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1c1nc(C2CC2)c(CO)s1 ZINC000069183235 521875343 /nfs/dbraw/zinc/87/53/43/521875343.db2.gz MNMQGMZOBAZDIA-LLVKDONJSA-N 1 0 281.425 2.043 10 0 CEAERO C[NH2+]C[C@@H]1CC[C@@H](COc2cc(F)cc(F)c2)O1 ZINC000054934617 522058074 /nfs/dbraw/zinc/05/80/74/522058074.db2.gz IZIDMLMTFIPFHT-RYUDHWBXSA-N 1 0 257.280 2.111 10 0 CEAERO C[NH2+]C[C@H](OC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000050494380 522075982 /nfs/dbraw/zinc/07/59/82/522075982.db2.gz JWBKQHHKNZNMPF-KBPBESRZSA-N 1 0 253.317 2.282 10 0 CEAERO CC[C@H](CC[NH3+])N1C(=O)CC2(CCCCCC2)C1=O ZINC000054162068 522128274 /nfs/dbraw/zinc/12/82/74/522128274.db2.gz UAUULJMPJSUUIV-GFCCVEGCSA-N 1 0 266.385 2.213 10 0 CEAERO CC[C@H](C[NH2+]C(C)C)n1nnc(-c2ccccc2)n1 ZINC000052574748 522191301 /nfs/dbraw/zinc/19/13/01/522191301.db2.gz ZMTGLKKTVXHYBJ-CYBMUJFWSA-N 1 0 259.357 2.289 10 0 CEAERO CC[C@H]([NH3+])Cc1c(C)nn(C)c1N(CC)CC1CC1 ZINC000069265170 522331752 /nfs/dbraw/zinc/33/17/52/522331752.db2.gz IXXAGBDXVFWQPW-ZDUSSCGKSA-N 1 0 264.417 2.245 10 0 CEAERO COC(=O)c1cc(C[NH2+][C@@H](C)[C@@H]2CCCO2)cs1 ZINC000411537997 533824293 /nfs/dbraw/zinc/82/42/93/533824293.db2.gz SSLFNEXXHHWQRS-ONGXEEELSA-N 1 0 269.366 2.192 10 0 CEAERO CCc1nc(N2CCC(OC)CC2)sc1C[NH2+]C ZINC000054997130 522383846 /nfs/dbraw/zinc/38/38/46/522383846.db2.gz TXNDBOZNYJBBIK-UHFFFAOYSA-N 1 0 269.414 2.040 10 0 CEAERO C[NH2+][C@@](C)(CCCCO[C@H]1CCCC[C@@H]1C)C(N)=O ZINC000045477917 522407602 /nfs/dbraw/zinc/40/76/02/522407602.db2.gz FGWUKUFGBLGVGE-YDHLFZDLSA-N 1 0 270.417 2.215 10 0 CEAERO C[C@@H](OCc1ccccc1)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000404442559 533910864 /nfs/dbraw/zinc/91/08/64/533910864.db2.gz YLIILDZTZMGGNP-OCCSQVGLSA-N 1 0 278.396 2.081 10 0 CEAERO COc1cc(F)c([C@@H]([NH3+])[C@@H]2CCCCO2)cc1OC ZINC000061560336 522584447 /nfs/dbraw/zinc/58/44/47/522584447.db2.gz RKTGUYYMOSAZSE-SMDDNHRTSA-N 1 0 269.316 2.412 10 0 CEAERO CC(C)(C)N1C(=O)C[C@@H]([NH3+])[C@H]1c1ccccc1F ZINC000062210089 517376228 /nfs/dbraw/zinc/37/62/28/517376228.db2.gz DONVXPVQTFYDQS-DGCLKSJQSA-N 1 0 250.317 2.225 10 0 CEAERO COc1cccc([C@@H](OC[C@@H]2CCOC2)[C@@H](C)[NH3+])c1 ZINC000043031473 518166990 /nfs/dbraw/zinc/16/69/90/518166990.db2.gz LHAYFGLVOWJCQX-JMSVASOKSA-N 1 0 265.353 2.137 10 0 CEAERO C(NC1=[NH+]C2(CS1)CCCCC2)[C@H]1CCOC1 ZINC000061147026 518396041 /nfs/dbraw/zinc/39/60/41/518396041.db2.gz ZJNCJHAYNZRVML-LLVKDONJSA-N 1 0 254.399 2.418 10 0 CEAERO CC(=O)c1cnc(N2CCN(c3ccccn3)CC2)s1 ZINC000054861723 518479758 /nfs/dbraw/zinc/47/97/58/518479758.db2.gz RICDJUQYALJANG-UHFFFAOYSA-N 1 0 288.376 2.067 10 0 CEAERO CC(=O)c1cnc(N2CCN(C3CCCC3)CC2)s1 ZINC000054862582 518480072 /nfs/dbraw/zinc/48/00/72/518480072.db2.gz IMQYARUSQYPDGA-UHFFFAOYSA-N 1 0 279.409 2.410 10 0 CEAERO CC(=O)c1sc(N2CCC(C[NH+](C)C)CC2)nc1C ZINC000054862981 518497010 /nfs/dbraw/zinc/49/70/10/518497010.db2.gz JBHNMWXMZDTBFI-UHFFFAOYSA-N 1 0 281.425 2.432 10 0 CEAERO CC(C)(C)[NH2+]CC1(CN2CCOCC2(C)C)CCOCC1 ZINC000052183440 518754317 /nfs/dbraw/zinc/75/43/17/518754317.db2.gz POCZCAQYFXAZIF-UHFFFAOYSA-N 1 0 298.471 2.282 10 0 CEAERO CC(C)(C)[NH2+]CCCc1nnc([C@H]2CCCOC2)o1 ZINC000062243888 518756417 /nfs/dbraw/zinc/75/64/17/518756417.db2.gz DHPCSSFZAWTHAK-NSHDSACASA-N 1 0 267.373 2.284 10 0 CEAERO CC(C)(C)[NH2+]C[C@@H]1CC[C@@H](COC[C@@H]2CCCO2)O1 ZINC000052626385 518760532 /nfs/dbraw/zinc/76/05/32/518760532.db2.gz UQVUNERUFNMAPM-IHRRRGAJSA-N 1 0 271.401 2.118 10 0 CEAERO CC(C)(C)[NH2+]Cc1ccnc(OC[C@H]2CCOC2)c1 ZINC000051572011 518766250 /nfs/dbraw/zinc/76/62/50/518766250.db2.gz OJHWVEWAGBVEMP-ZDUSSCGKSA-N 1 0 264.369 2.385 10 0 CEAERO CC(C)(C[NH2+]C1CC1)[C@H]1CS(=O)(=O)c2ccccc21 ZINC000054638341 519266357 /nfs/dbraw/zinc/26/63/57/519266357.db2.gz GDEQFMRSXJFAKU-ZDUSSCGKSA-N 1 0 279.405 2.336 10 0 CEAERO CC(C)C[C@H](C)OC[C@]([NH2+]C(C)C)(C(N)=O)C1CC1 ZINC000069196507 519323808 /nfs/dbraw/zinc/32/38/08/519323808.db2.gz HFKCSWBXHHQJLL-SWLSCSKDSA-N 1 0 270.417 2.070 10 0 CEAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CCCCC[C@@H]1O ZINC000049555484 519342276 /nfs/dbraw/zinc/34/22/76/519342276.db2.gz IENZHONZQZGUBZ-KFWWJZLASA-N 1 0 256.434 2.246 10 0 CEAERO CC(C)[NH+](CCNc1ccnc(C(N)=S)c1)C(C)C ZINC000061811877 519648339 /nfs/dbraw/zinc/64/83/39/519648339.db2.gz YLXCWYKUSJWRQD-UHFFFAOYSA-N 1 0 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292.427 2.285 10 0 CEAERO CCC[NH+]1CCC(Nc2ccnc(C(N)=S)c2)CC1 ZINC000061812981 519847890 /nfs/dbraw/zinc/84/78/90/519847890.db2.gz LLCMAOGVVCPQGH-UHFFFAOYSA-N 1 0 278.425 2.002 10 0 CEAERO CCC1CCC(NC(=O)c2ccc(NN)[nH+]c2)CC1 ZINC000051095041 519856557 /nfs/dbraw/zinc/85/65/57/519856557.db2.gz ZWGCHOKWJDTSBT-UHFFFAOYSA-N 1 0 262.357 2.066 10 0 CEAERO CCC1CCN(C(=O)[C@H]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000055161457 519858362 /nfs/dbraw/zinc/85/83/62/519858362.db2.gz NJXOIFPLUQZLOB-KGLIPLIRSA-N 1 0 252.402 2.400 10 0 CEAERO CCC1CCN(C(=O)[C@@H]2[C@@H](C)CCC[C@@H]2[NH3+])CC1 ZINC000055134703 519858477 /nfs/dbraw/zinc/85/84/77/519858477.db2.gz CSGLVIIUFWDVHD-FPMFFAJLSA-N 1 0 252.402 2.399 10 0 CEAERO CCCNC(=O)COc1ccccc1C[NH2+]C(C)(C)C ZINC000062729220 519881635 /nfs/dbraw/zinc/88/16/35/519881635.db2.gz NKZRMDVJOMUPDQ-UHFFFAOYSA-N 1 0 278.396 2.480 10 0 CEAERO CCCC1CC[NH+](CC[C@@H](NCC)C(=O)OCC)CC1 ZINC000062531027 519901365 /nfs/dbraw/zinc/90/13/65/519901365.db2.gz MJJUMSDFBDDYMI-OAHLLOKOSA-N 1 0 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CPIHUHJTGFIWAH-UHFFFAOYSA-N 1 0 281.831 2.462 10 0 CEAERO CCN(C(=O)C[NH2+]CC1CCC(C)CC1)C1CC1 ZINC000063145256 519915895 /nfs/dbraw/zinc/91/58/95/519915895.db2.gz ZPWAGUONEBSYJX-UHFFFAOYSA-N 1 0 252.402 2.413 10 0 CEAERO CC[NH2+]CCC(=O)Nc1ccccc1OC(F)F ZINC000061288640 519918544 /nfs/dbraw/zinc/91/85/44/519918544.db2.gz ZBBUNYMZZFBFJJ-UHFFFAOYSA-N 1 0 258.268 2.226 10 0 CEAERO CCC[NH2+]C[C@@H](CC)Oc1ccc(S(C)(=O)=O)cc1 ZINC000052702002 519921041 /nfs/dbraw/zinc/92/10/41/519921041.db2.gz QUKXQSWWWABZRM-GFCCVEGCSA-N 1 0 285.409 2.247 10 0 CEAERO CC(C)n1c(N)nnc1SCCC[C@H]1CCC[NH2+]1 ZINC000062801429 519921098 /nfs/dbraw/zinc/92/10/98/519921098.db2.gz FKIOSONXVVUQLN-SNVBAGLBSA-N 1 0 269.418 2.066 10 0 CEAERO CC(C)n1c(S[C@@H](c2ccccc2)[C@@H](C)[NH3+])n[nH]c1=O ZINC000061595111 519923157 /nfs/dbraw/zinc/92/31/57/519923157.db2.gz PEAKFEHODYADHQ-ZYHUDNBSSA-N 1 0 292.408 2.333 10 0 CEAERO CC[NH2+]CCc1nc(-c2nccc3ccccc32)no1 ZINC000069312012 519928713 /nfs/dbraw/zinc/92/87/13/519928713.db2.gz QZYSFIZOGPTLJC-UHFFFAOYSA-N 1 0 268.320 2.437 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N1CC[C@H](c2ccccc2)C1 ZINC000061268198 519934078 /nfs/dbraw/zinc/93/40/78/519934078.db2.gz RIRCFRRZTAVFHL-HIFRSBDPSA-N 1 0 260.381 2.248 10 0 CEAERO CCC[NH2+]C[C@H]1CC[C@@H](COc2ccc(C)nc2)O1 ZINC000052596303 519939438 /nfs/dbraw/zinc/93/94/38/519939438.db2.gz WGCOILUPOBOXNO-CABCVRRESA-N 1 0 264.369 2.316 10 0 CEAERO CCC[NH2+]C[C@H]1C[C@]1(C)c1ccc(S(C)(=O)=O)cc1 ZINC000054593666 519939936 /nfs/dbraw/zinc/93/99/36/519939936.db2.gz JBLODSHSOCUYRB-UKRRQHHQSA-N 1 0 281.421 2.367 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1nc(CC)c(C)s1 ZINC000061267719 519942906 /nfs/dbraw/zinc/94/29/06/519942906.db2.gz RMVGULUKEGXTMK-MRVPVSSYSA-N 1 0 255.387 2.198 10 0 CEAERO CC[NH2+]C[C@@H](O)c1ccc(Br)cc1F ZINC000055027922 519946497 /nfs/dbraw/zinc/94/64/97/519946497.db2.gz FSUHYXZYFWBWGO-SNVBAGLBSA-N 1 0 262.122 2.231 10 0 CEAERO CC[NH2+]C[C@@H](O[C@@H](C)COC)c1cccc(OC)c1 ZINC000070206058 519949075 /nfs/dbraw/zinc/94/90/75/519949075.db2.gz SMQVMRIJBSAMIS-SWLSCSKDSA-N 1 0 267.369 2.397 10 0 CEAERO CCC[NH2+]Cc1ccc(OCCOCCOC)cc1 ZINC000052628244 519952248 /nfs/dbraw/zinc/95/22/48/519952248.db2.gz YHKCNZIAVSRHLJ-UHFFFAOYSA-N 1 0 267.369 2.228 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N(Cc1cccc(O)c1)C1CC1 ZINC000061265922 519961048 /nfs/dbraw/zinc/96/10/48/519961048.db2.gz GEMCNJOKVDTXCP-LBPRGKRZSA-N 1 0 276.380 2.129 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N1CCc2sccc2[C@H]1C ZINC000061266342 519962352 /nfs/dbraw/zinc/96/23/52/519962352.db2.gz XQJUAHLPVGHCPE-WDEREUQCSA-N 1 0 266.410 2.439 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)NCc1cc2c(s1)CCC2 ZINC000061266930 519963120 /nfs/dbraw/zinc/96/31/20/519963120.db2.gz ASXMLZLQCOSTDX-JTQLQIEISA-N 1 0 266.410 2.099 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N[C@@H](C)COc1ccc(C)cc1 ZINC000061266899 519963147 /nfs/dbraw/zinc/96/31/47/519963147.db2.gz RREOIRHBDGUBCY-KBPBESRZSA-N 1 0 278.396 2.124 10 0 CEAERO CCC[NH2+]Cc1cnc(N2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000054900493 519964810 /nfs/dbraw/zinc/96/48/10/519964810.db2.gz OCBQSWPNMNFCRT-PHIMTYICSA-N 1 0 269.414 2.256 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1cc(OC)c(OC)cc1C ZINC000061232538 519965612 /nfs/dbraw/zinc/96/56/12/519965612.db2.gz FEBGTWCCBCVULO-NSHDSACASA-N 1 0 280.368 2.196 10 0 CEAERO CCC[NH2+]Cc1nnc(-c2cc(OC)cc(OC)c2)o1 ZINC000050615700 519968080 /nfs/dbraw/zinc/96/80/80/519968080.db2.gz ACHMPJULDWMZSD-UHFFFAOYSA-N 1 0 277.324 2.253 10 0 CEAERO CCC[NH2+]Cc1nnnn1-c1c(CC)cccc1CC ZINC000054744843 519968136 /nfs/dbraw/zinc/96/81/36/519968136.db2.gz KBLYXWWCJOJFRM-UHFFFAOYSA-N 1 0 273.384 2.287 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccccc1COCC ZINC000061230417 519968577 /nfs/dbraw/zinc/96/85/77/519968577.db2.gz AOUHRFXINBKVAR-LBPRGKRZSA-N 1 0 264.369 2.407 10 0 CEAERO CC[NH2+]C[C@H](C)c1nc2ccccc2n1CCOC ZINC000061219519 519971533 /nfs/dbraw/zinc/97/15/33/519971533.db2.gz OBJPQVFVNQFUMR-LBPRGKRZSA-N 1 0 261.369 2.396 10 0 CEAERO CCC[NH2+][C@@H](C)CCCN1C(=O)CCCCC1=O ZINC000045604439 519985215 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CCCOc1cccc(C(=O)N2[C@H](C)C[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000061668065 520442336 /nfs/dbraw/zinc/44/23/36/520442336.db2.gz KJOYBFKZVZWXMF-XPKDYRNWSA-N 1 0 288.391 2.298 10 0 CEAERO CCCOc1cccc(C(=O)N[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000061668077 520447183 /nfs/dbraw/zinc/44/71/83/520447183.db2.gz BFEHFXJHUAXLME-GJZGRUSLSA-N 1 0 276.380 2.475 10 0 CEAERO CCCOc1cccc(C[C@@H](C[NH3+])C(=O)N2CCCC2)c1 ZINC000052920868 520456847 /nfs/dbraw/zinc/45/68/47/520456847.db2.gz LZBKDLOULAHVFS-HNNXBMFYSA-N 1 0 290.407 2.215 10 0 CEAERO CCOC(=O)C1(N2CCC[NH2+]CC2)CCC(C(C)C)CC1 ZINC000054557438 520469957 /nfs/dbraw/zinc/46/99/57/520469957.db2.gz ZAHOMARBIFKDCK-UHFFFAOYSA-N 1 0 296.455 2.430 10 0 CEAERO CCCOc1nc(N2CC[NH+]([C@@H](C)CC)CC2)ccc1N ZINC000055066409 520495684 /nfs/dbraw/zinc/49/56/84/520495684.db2.gz RFIJXDFUCNTKLU-ZDUSSCGKSA-N 1 0 292.427 2.373 10 0 CEAERO CCCC[N@H+](C[C@@](NC1CC1)(C(=O)OC)C1CC1)C1CC1 ZINC000069131800 520542210 /nfs/dbraw/zinc/54/22/10/520542210.db2.gz HTTOQCMWQPCENN-KRWDZBQOSA-N 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YKYUJFSXVMGMBJ-UHFFFAOYSA-N 1 0 266.307 2.081 10 0 CEAERO CCC[C@@]([NH3+])(CCCS(C)(=O)=O)c1ccccc1 ZINC000063016376 520938498 /nfs/dbraw/zinc/93/84/98/520938498.db2.gz ISZGUONLMGOMLT-CQSZACIVSA-N 1 0 269.410 2.466 10 0 CEAERO CCC[C@@]1(C(=O)NCc2ccc(C)nc2)CCC[NH2+]C1 ZINC000062861483 520942557 /nfs/dbraw/zinc/94/25/57/520942557.db2.gz LGIXGTJMACSKAU-MRXNPFEDSA-N 1 0 275.396 2.176 10 0 CEAERO CCC[C@@]1(C(=O)Nc2cccnc2OC)CCC[NH2+]C1 ZINC000062855469 520944746 /nfs/dbraw/zinc/94/47/46/520944746.db2.gz PQBIZNUNNRDMPE-OAHLLOKOSA-N 1 0 277.368 2.199 10 0 CEAERO CC1CCC2(CC1)NC(=O)N(CCC[C@H]1CCC[NH2+]1)C2=O ZINC000052764783 520965069 /nfs/dbraw/zinc/96/50/69/520965069.db2.gz NBCIGAPXLFTCGP-MFOWVQHXSA-N 1 0 293.411 2.019 10 0 CEAERO CCC[C@H](C(=O)N(C)C[C@@H](C)c1nccs1)[NH+](C)C ZINC000183329536 520969727 /nfs/dbraw/zinc/96/97/27/520969727.db2.gz LOMJMCNTIKUPGZ-VXGBXAGGSA-N 1 0 283.441 2.435 10 0 CEAERO CC[N@H+](CCCCCO)C1(CN)CCC(C)CC1 ZINC000051020365 521001335 /nfs/dbraw/zinc/00/13/35/521001335.db2.gz HZGYXBSLIFLFTO-UHFFFAOYSA-N 1 0 256.434 2.379 10 0 CEAERO CC1CC[NH+](CCNC(=O)c2ccc3c[nH]nc3c2)CC1 ZINC000061670503 521012464 /nfs/dbraw/zinc/01/24/64/521012464.db2.gz NZMMNFFDSYFSOC-UHFFFAOYSA-N 1 0 286.379 2.025 10 0 CEAERO CCOC(=O)[C@@H](C)Oc1cccc2c1CC[C@H]2[NH2+]C ZINC000062799022 521034830 /nfs/dbraw/zinc/03/48/30/521034830.db2.gz XZBMVLMCQGGNLT-ZWNOBZJWSA-N 1 0 263.337 2.224 10 0 CEAERO CCOC(=O)[C@@H](C)Oc1ccccc1[C@@H]([NH3+])CC ZINC000049954647 521035132 /nfs/dbraw/zinc/03/51/32/521035132.db2.gz SCNFJTHOMYQRNI-PWSUYJOCSA-N 1 0 251.326 2.427 10 0 CEAERO CC[N@H+](CCOC)CCC(=O)Nc1ccc(Cl)c(N)c1 ZINC000049009129 521135905 /nfs/dbraw/zinc/13/59/05/521135905.db2.gz LFSHAMBLOQSNSQ-UHFFFAOYSA-N 1 0 299.802 2.219 10 0 CEAERO CCN(CCOC)c1cc(C[NH2+]C)c2ccccc2n1 ZINC000051487262 521137562 /nfs/dbraw/zinc/13/75/62/521137562.db2.gz VYNIFYAIUDWEHU-UHFFFAOYSA-N 1 0 273.380 2.427 10 0 CEAERO CCOC(=O)[C@@](C)(C[C@@H](C)[N@H+](C)CC1CC1)NC1CC1 ZINC000068627733 521147155 /nfs/dbraw/zinc/14/71/55/521147155.db2.gz FPLBSEGBXLWLEN-MLGOLLRUSA-N 1 0 282.428 2.181 10 0 CEAERO CCOC(=O)[C@@](C)(C[C@H](C)[N@@H+]1CCC[C@@H]1C)NC1CC1 ZINC000068615205 521150490 /nfs/dbraw/zinc/15/04/90/521150490.db2.gz IXRKDDGQOYEVDW-HEHGZKQESA-N 1 0 282.428 2.323 10 0 CEAERO CCN(CC[C@@H]([NH2+]C)C(N)=O)c1cccc2ccccc21 ZINC000062437879 521155325 /nfs/dbraw/zinc/15/53/25/521155325.db2.gz HTPWVIFOVXGVIP-OAHLLOKOSA-N 1 0 285.391 2.130 10 0 CEAERO CCN(C[C@@H](C)C[NH3+])C(=O)c1cc(C)ccc1OC ZINC000052943303 521201106 /nfs/dbraw/zinc/20/11/06/521201106.db2.gz YKEKBUPZWUQBRY-LBPRGKRZSA-N 1 0 264.369 2.061 10 0 CEAERO CCOC(=O)[C@H](C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C)cc1 ZINC000049495659 521202992 /nfs/dbraw/zinc/20/29/92/521202992.db2.gz TYYGPBNWPUIICS-MNOVXSKESA-N 1 0 293.367 2.040 10 0 CEAERO CCOC(=O)[C@H](CC[N@H+](C)CCC(C)C)NC1CC1 ZINC000062526103 521242500 /nfs/dbraw/zinc/24/25/00/521242500.db2.gz HCVDPQQYZBPWNH-AWEZNQCLSA-N 1 0 270.417 2.038 10 0 CEAERO CCOC(=O)[C@H](CC[N@@H+]1CCCC(C)(C)C1)NC(C)C ZINC000069517048 521245598 /nfs/dbraw/zinc/24/55/98/521245598.db2.gz AHYAGDRJJGQCSQ-AWEZNQCLSA-N 1 0 284.444 2.428 10 0 CEAERO CCC[C@]1(C(=O)Nc2ccc3n[nH]cc3c2)CC[NH2+]C1 ZINC000062892447 521300291 /nfs/dbraw/zinc/30/02/91/521300291.db2.gz BIMJOUSFKGZITL-HNNXBMFYSA-N 1 0 272.352 2.281 10 0 CEAERO CCOC(=O)[C@](C[N@H+](C)CC1CCC1)(NC1CC1)C1CC1 ZINC000069231916 521336346 /nfs/dbraw/zinc/33/63/46/521336346.db2.gz BJVJNWHHYXAFAN-QGZVFWFLSA-N 1 0 294.439 2.182 10 0 CEAERO CCCc1cc(N2CCCC[C@@H]2C[NH2+]CCOC)ncn1 ZINC000053701145 521368228 /nfs/dbraw/zinc/36/82/28/521368228.db2.gz MMBIIOSVNNGATI-OAHLLOKOSA-N 1 0 292.427 2.024 10 0 CEAERO CCCc1cc(N2CCCC[C@H]2CC[NH2+]C)ncn1 ZINC000070194438 521368582 /nfs/dbraw/zinc/36/85/82/521368582.db2.gz JLLZIEXHIHDHJY-AWEZNQCLSA-N 1 0 262.401 2.398 10 0 CEAERO CCOc1cccc(C[C@@H]([NH3+])CC)c1O[C@H](CC)C(N)=O ZINC000061678433 521379955 /nfs/dbraw/zinc/37/99/55/521379955.db2.gz HOZLJKYFWLONOQ-QWHCGFSZSA-N 1 0 294.395 2.008 10 0 CEAERO CCOc1cccc(C[C@H]([NH3+])CC)c1O[C@H](CC)C(N)=O ZINC000061678434 521380220 /nfs/dbraw/zinc/38/02/20/521380220.db2.gz HOZLJKYFWLONOQ-CHWSQXEVSA-N 1 0 294.395 2.008 10 0 CEAERO CCOc1cccc(OCc2cc(C[NH2+]C)no2)c1 ZINC000052594134 521404255 /nfs/dbraw/zinc/40/42/55/521404255.db2.gz AUAPZEHEBBGVFG-UHFFFAOYSA-N 1 0 262.309 2.372 10 0 CEAERO CC[N@H+](Cc1cccs1)CC1(CO)CCOCC1 ZINC000052199758 521406706 /nfs/dbraw/zinc/40/67/06/521406706.db2.gz SUFXEKAYRIIMBK-UHFFFAOYSA-N 1 0 269.410 2.359 10 0 CEAERO CCN(c1ncc([C@H](C)[NH2+]C)s1)[C@@H](C)COC ZINC000054906537 521507227 /nfs/dbraw/zinc/50/72/27/521507227.db2.gz VVIXRQNNLYCEAG-UWVGGRQHSA-N 1 0 257.403 2.285 10 0 CEAERO CCCc1nc(CN2[C@H](C)C[NH2+]C[C@H]2C)cs1 ZINC000069134453 521515118 /nfs/dbraw/zinc/51/51/18/521515118.db2.gz XFYCGJAQMLXQAH-GHMZBOCLSA-N 1 0 253.415 2.278 10 0 CEAERO CCCc1nc(N2CCSCC2)sc1C[NH3+] ZINC000054996152 521533936 /nfs/dbraw/zinc/53/39/36/521533936.db2.gz IJLCGTLNUUQVGA-UHFFFAOYSA-N 1 0 257.428 2.108 10 0 CEAERO CC[NH+]1CCC(N(C)c2nc3c(s2)[C@H](O)CCC3)CC1 ZINC000054927997 521569215 /nfs/dbraw/zinc/56/92/15/521569215.db2.gz SKXOAIRVEKEYRY-CYBMUJFWSA-N 1 0 295.452 2.433 10 0 CEAERO CCOc1ccccc1[C@H]1[C@H](C[NH2+]C(C)C)OCCN1C ZINC000070287513 521592152 /nfs/dbraw/zinc/59/21/52/521592152.db2.gz KYPVMCWBHSHTDZ-IRXDYDNUSA-N 1 0 292.423 2.455 10 0 CEAERO CCOc1nc(Cl)nc(N[C@H](C)C[NH+](CC)CC)n1 ZINC000061517243 521604415 /nfs/dbraw/zinc/60/44/15/521604415.db2.gz IQKOSTYQYYPXJT-SECBINFHSA-N 1 0 287.795 2.066 10 0 CEAERO CCCn1c(=S)[nH]nc1N1CC[NH+](C(C)(C)C)CC1 ZINC000048946085 521619924 /nfs/dbraw/zinc/61/99/24/521619924.db2.gz OSBOXGQCDRIKJU-UHFFFAOYSA-N 1 0 283.445 2.271 10 0 CEAERO CCCn1c2ccc([C@@H]([NH3+])[C@@H]3CCOC3)cc2oc1=O ZINC000051364003 521637876 /nfs/dbraw/zinc/63/78/76/521637876.db2.gz JSVPICUKARKMRC-BXUZGUMPSA-N 1 0 276.336 2.041 10 0 CEAERO CCS(=O)(=O)CC[C@H](C[NH3+])Cc1cccc(Cl)c1 ZINC000052948028 521645507 /nfs/dbraw/zinc/64/55/07/521645507.db2.gz RWDPCLGAFYJZNK-LBPRGKRZSA-N 1 0 289.828 2.282 10 0 CEAERO CCOC1CCN(c2cnc(C(C)C)nc2C[NH2+]C)CC1 ZINC000051448238 521657911 /nfs/dbraw/zinc/65/79/11/521657911.db2.gz IYCGGQYDKKZKFB-UHFFFAOYSA-N 1 0 292.427 2.325 10 0 CEAERO CCC1(C(=O)Nc2cnn(C(C)C)c2)CC[NH2+]CC1 ZINC000062850432 521673942 /nfs/dbraw/zinc/67/39/42/521673942.db2.gz MQSWPGIPWYEVNN-UHFFFAOYSA-N 1 0 264.373 2.182 10 0 CEAERO CCC[N@H+](C[C@](NCC)(C(=O)OCC)C1CC1)C1CC1 ZINC000069098259 521678106 /nfs/dbraw/zinc/67/81/06/521678106.db2.gz ZIJBEMPCIXGWMB-MRXNPFEDSA-N 1 0 282.428 2.182 10 0 CEAERO CCS(=O)(=O)c1ccc(N[C@H](C)C[NH+]2CCCC2)cc1 ZINC000049184105 521690534 /nfs/dbraw/zinc/69/05/34/521690534.db2.gz UIMYJBDNYBVURO-CYBMUJFWSA-N 1 0 296.436 2.376 10 0 CEAERO CCCN1C(=O)C[C@@H]([NH2+][C@H](C)c2ccccc2C)C1=O ZINC000049525495 521699957 /nfs/dbraw/zinc/69/99/57/521699957.db2.gz RSCFNJYLZBMHGQ-TZMCWYRMSA-N 1 0 274.364 2.183 10 0 CEAERO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(Cl)ccc2NC)C1 ZINC000050770029 521709899 /nfs/dbraw/zinc/70/98/99/521709899.db2.gz AUIOOZWKLUJZKT-NSHDSACASA-N 1 0 295.814 2.453 10 0 CEAERO CCNC(=O)[C@@H](C)Oc1ccccc1C[NH2+]CC(C)C ZINC000062729400 521743967 /nfs/dbraw/zinc/74/39/67/521743967.db2.gz SHSXCFIXNGMSMV-CYBMUJFWSA-N 1 0 278.396 2.336 10 0 CEAERO C[NH+](C)C[C@@H]1CCCN1c1ccc(N)c2cccnc21 ZINC000061642844 521842598 /nfs/dbraw/zinc/84/25/98/521842598.db2.gz KPKMPARVEWUGCC-LBPRGKRZSA-N 1 0 270.380 2.347 10 0 CEAERO CN(C)C[C@H]1CCC[N@@H+]1C[C@@H]1CCCCCC1=O ZINC000061653381 521867369 /nfs/dbraw/zinc/86/73/69/521867369.db2.gz SSHFPIVFXXXXBQ-UONOGXRCSA-N 1 0 252.402 2.162 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1Cc1ccc(N)cc1Cl ZINC000061642258 521872136 /nfs/dbraw/zinc/87/21/36/521872136.db2.gz MYMVYOIKMDFQEA-CYBMUJFWSA-N 1 0 267.804 2.448 10 0 CEAERO CCc1ccccc1O[C@H](C)C[C@](C)([NH2+]C1CC1)C(N)=O ZINC000068657437 521924019 /nfs/dbraw/zinc/92/40/19/521924019.db2.gz AEGGMYUBWHLQJV-PXAZEXFGSA-N 1 0 290.407 2.402 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N1CCCCC[C@H]1c1cccn1C ZINC000061316972 521933996 /nfs/dbraw/zinc/93/39/96/521933996.db2.gz XMJSIZZTOYZTCL-AWEZNQCLSA-N 1 0 277.412 2.467 10 0 CEAERO C[NH2+]C(C)(C)C(=O)NCc1ccc(Br)cc1 ZINC000061300257 521937575 /nfs/dbraw/zinc/93/75/75/521937575.db2.gz REEAMOMYCVPURZ-UHFFFAOYSA-N 1 0 285.185 2.063 10 0 CEAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(C)c2ncccc12 ZINC000061316451 521941435 /nfs/dbraw/zinc/94/14/35/521941435.db2.gz QFSMUSXJGBKXPR-UHFFFAOYSA-N 1 0 257.337 2.480 10 0 CEAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(OC(C)C)cc1 ZINC000061300336 521942779 /nfs/dbraw/zinc/94/27/79/521942779.db2.gz ASDKNZSCLGHGDG-UHFFFAOYSA-N 1 0 250.342 2.410 10 0 CEAERO C[NH2+]C(C)(C)CN1CCN(c2cccc(C)c2C)CC1 ZINC000061319530 521945761 /nfs/dbraw/zinc/94/57/61/521945761.db2.gz HSLAYWLWRWUKPQ-UHFFFAOYSA-N 1 0 275.440 2.423 10 0 CEAERO COCC[C@H]([NH3+])c1nc(-c2cc(OC)ccc2OC)c[nH]1 ZINC000052811271 521950748 /nfs/dbraw/zinc/95/07/48/521950748.db2.gz LEXOOPLQNJHKIM-LBPRGKRZSA-N 1 0 291.351 2.130 10 0 CEAERO COCC[C@H]([NH3+])c1nc(-c2cc(C)ccc2OC)c[nH]1 ZINC000052811256 521951463 /nfs/dbraw/zinc/95/14/63/521951463.db2.gz DIYWQSDJFYVSMF-LBPRGKRZSA-N 1 0 275.352 2.430 10 0 CEAERO CC[C@@H](C)C[NH2+][C@H]1CC(=O)N(C2CCCCC2)C1=O ZINC000054469857 522000126 /nfs/dbraw/zinc/00/01/26/522000126.db2.gz CWROIKQKSPWXSQ-YPMHNXCESA-N 1 0 266.385 2.082 10 0 CEAERO C[NH2+]CCCc1nnc(-c2nccc3ccccc32)o1 ZINC000050616831 522002352 /nfs/dbraw/zinc/00/23/52/522002352.db2.gz LEVJJFUDDQATOE-UHFFFAOYSA-N 1 0 268.320 2.437 10 0 CEAERO C[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000051866811 522012479 /nfs/dbraw/zinc/01/24/79/522012479.db2.gz MAEGTPKZIZYSHK-UHFFFAOYSA-N 1 0 254.639 2.352 10 0 CEAERO CC[C@H](C)[C@H]1CN(Cc2cn3ccccc3n2)CC[NH2+]1 ZINC000068694497 522008083 /nfs/dbraw/zinc/00/80/83/522008083.db2.gz DMMGKEKVDRFZGY-DZGCQCFKSA-N 1 0 272.396 2.154 10 0 CEAERO C[NH2+]CC[C@H](C)N1CCN(c2cccc(C)c2C)CC1 ZINC000052376268 522018978 /nfs/dbraw/zinc/01/89/78/522018978.db2.gz ZSXJNKLNIKPGBQ-HNNXBMFYSA-N 1 0 275.440 2.423 10 0 CEAERO C[NH2+]CCc1nnc([C@H]2CCCc3ccccc32)o1 ZINC000054669798 522022250 /nfs/dbraw/zinc/02/22/50/522022250.db2.gz PMLGQAUZDIZQJT-ZDUSSCGKSA-N 1 0 257.337 2.300 10 0 CEAERO C[NH2+]C[C@@H](C)c1c(C)nc(C[C@@H]2CCCO2)nc1C ZINC000054854672 522032602 /nfs/dbraw/zinc/03/26/02/522032602.db2.gz MNKVBNBRXWYKHK-MFKMUULPSA-N 1 0 263.385 2.138 10 0 CEAERO CC[C@@H](C)[N@H+](C)C[C@](NC(C)C)(C(=O)OC)C1CC1 ZINC000069096728 522062951 /nfs/dbraw/zinc/06/29/51/522062951.db2.gz OWINAFRFMWDJBR-IUODEOHRSA-N 1 0 270.417 2.037 10 0 CEAERO C[NH2+]C[C@H](CCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000052950212 522073924 /nfs/dbraw/zinc/07/39/24/522073924.db2.gz TZVLCTFBACXPOG-JKSUJKDBSA-N 1 0 295.448 2.280 10 0 CEAERO C[NH2+]C[C@H]1CC[C@H](COc2cccc(F)c2F)O1 ZINC000062654268 522097031 /nfs/dbraw/zinc/09/70/31/522097031.db2.gz YUBRIDKQBLPGPH-NXEZZACHSA-N 1 0 257.280 2.111 10 0 CEAERO C[NH2+]C[C@H]1OCCN(C(C)C)[C@@H]1c1cccc(C)c1 ZINC000070288842 522099162 /nfs/dbraw/zinc/09/91/62/522099162.db2.gz RSFMKHMTINRYQP-HZPDHXFCSA-N 1 0 262.397 2.365 10 0 CEAERO C[NH2+]Cc1cc(CN2CCCc3ccccc32)on1 ZINC000052421524 522107366 /nfs/dbraw/zinc/10/73/66/522107366.db2.gz SCKSZYSKAZHSEA-UHFFFAOYSA-N 1 0 257.337 2.347 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc(Cl)c(N)c2)CC1 ZINC000055063505 522116356 /nfs/dbraw/zinc/11/63/56/522116356.db2.gz COGBYPWJAADXEI-LLVKDONJSA-N 1 0 295.814 2.479 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(CC(=O)c2ccc(F)cc2)CC1 ZINC000055068312 522118473 /nfs/dbraw/zinc/11/84/73/522118473.db2.gz FVACEHPXQZLGJD-CYBMUJFWSA-N 1 0 278.371 2.425 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(Cc2nc(N)ccc2Cl)CC1 ZINC000061639143 522125840 /nfs/dbraw/zinc/12/58/40/522125840.db2.gz BTJYAIIEPWBJEG-LLVKDONJSA-N 1 0 282.819 2.233 10 0 CEAERO C[NH2+]Cc1nc(N2CCSC[C@@H]2C)ccc1Cl ZINC000070221511 522153801 /nfs/dbraw/zinc/15/38/01/522153801.db2.gz JHFRGVKXDNYBCE-VIFPVBQESA-N 1 0 271.817 2.396 10 0 CEAERO C[NH2+]Cc1occc1CN1CCN(c2ccccc2)CC1 ZINC000052417313 522164912 /nfs/dbraw/zinc/16/49/12/522164912.db2.gz NTTGKEFGFQWGRM-UHFFFAOYSA-N 1 0 285.391 2.321 10 0 CEAERO C[NH2+]Cc1sc(N2CCO[C@H]3CCC[C@@H]32)nc1C1CC1 ZINC000069180399 522167817 /nfs/dbraw/zinc/16/78/17/522167817.db2.gz RWYDBGUZLZKNSM-RYUDHWBXSA-N 1 0 293.436 2.498 10 0 CEAERO C[NH2+]Cc1sc(N2C[C@@H](C)OC(C)(C)C2)nc1C ZINC000055000451 522169818 /nfs/dbraw/zinc/16/98/18/522169818.db2.gz NKRIRJILIBOZNB-SECBINFHSA-N 1 0 269.414 2.175 10 0 CEAERO CC[C@H](C[NH2+]CCOC)Cc1ccccc1OC ZINC000054663629 522193708 /nfs/dbraw/zinc/19/37/08/522193708.db2.gz KCGMLKNNQFUCSX-ZDUSSCGKSA-N 1 0 251.370 2.500 10 0 CEAERO CC[C@H](Cc1ccc(S(=O)(=O)CC)cc1)[NH2+]C ZINC000063030391 522303087 /nfs/dbraw/zinc/30/30/87/522303087.db2.gz LBSSYFHJJLPSIF-GFCCVEGCSA-N 1 0 255.383 2.021 10 0 CEAERO COc1cc(CC[NH3+])cc(Cl)c1OCc1ncccn1 ZINC000054461661 522327391 /nfs/dbraw/zinc/32/73/91/522327391.db2.gz OWABYUIXNAIINF-UHFFFAOYSA-N 1 0 293.754 2.219 10 0 CEAERO CC[C@H]([NH3+])Cc1ccc(OC)cc1OCc1ncccn1 ZINC000054461876 522332829 /nfs/dbraw/zinc/33/28/29/522332829.db2.gz URCDPVHIHGGFCT-ZDUSSCGKSA-N 1 0 287.363 2.344 10 0 CEAERO CC[C@H]([NH3+])Cc1cc(C)nc(Cc2csc(C)n2)n1 ZINC000055296918 522333280 /nfs/dbraw/zinc/33/32/80/522333280.db2.gz AXVDADZILRXFBT-NSHDSACASA-N 1 0 276.409 2.421 10 0 CEAERO C[NH2+][C@@H](C)c1cnc(N(C)C2CCOCC2)s1 ZINC000054904614 522337372 /nfs/dbraw/zinc/33/73/72/522337372.db2.gz YZVGCRJKAVVIIZ-VIFPVBQESA-N 1 0 255.387 2.039 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1nnc(C)o1)c1cccnc1 ZINC000051038050 522339376 /nfs/dbraw/zinc/33/93/76/522339376.db2.gz IADHBYCZMUDKTJ-QWRGUYRKSA-N 1 0 264.354 2.344 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C1CC1)c1ccco1 ZINC000061594622 522343387 /nfs/dbraw/zinc/34/33/87/522343387.db2.gz XUMWBLONHQRBSY-ONGXEEELSA-N 1 0 294.380 2.070 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1CC)c1ccc(C)o1 ZINC000061594426 522344454 /nfs/dbraw/zinc/34/44/54/522344454.db2.gz HNFXBGNDJCHPBO-ONGXEEELSA-N 1 0 296.396 2.063 10 0 CEAERO CN(C)c1nccc(N(CCC[NH3+])c2ccccc2)n1 ZINC000068689988 522360693 /nfs/dbraw/zinc/36/06/93/522360693.db2.gz ZMAAZHCGBFUZLJ-UHFFFAOYSA-N 1 0 271.368 2.030 10 0 CEAERO CCc1nc(N2CCOC[C@H]2C)sc1C[NH2+]C1CC1 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C[NH2+][C@H](Cc1ccc(OC)c(OC)c1)C1CCOCC1 ZINC000061672884 522472379 /nfs/dbraw/zinc/47/23/79/522472379.db2.gz NPLZGUHRSZPPRV-CQSZACIVSA-N 1 0 279.380 2.261 10 0 CEAERO C[NH2+][C@H](Cc1cnn(C)c1)c1nccc2ccccc21 ZINC000069314517 522474975 /nfs/dbraw/zinc/47/49/75/522474975.db2.gz LCYVQAZJFNLATE-OAHLLOKOSA-N 1 0 266.348 2.472 10 0 CEAERO C[NH2+][C@H](c1ccc2c(c1)CCC(=O)N2C)[C@H]1CCCO1 ZINC000062806588 522483333 /nfs/dbraw/zinc/48/33/33/522483333.db2.gz PWASLMXQXZHRLR-GDBMZVCRSA-N 1 0 274.364 2.035 10 0 CEAERO C[NH2+][C@H](c1ccc2c(c1)OCCO2)c1ccccn1 ZINC000055222917 522483439 /nfs/dbraw/zinc/48/34/39/522483439.db2.gz FOGJCOWKZCXPDK-OAHLLOKOSA-N 1 0 256.305 2.162 10 0 CEAERO C[NH2+][C@H]1C(=O)Nc2cc(Sc3cc(C)nn3C)ccc21 ZINC000052310298 522486905 /nfs/dbraw/zinc/48/69/05/522486905.db2.gz NSNUFKPITVWVLA-CYBMUJFWSA-N 1 0 288.376 2.092 10 0 CEAERO CCc1nc2cc(N)ccc2n1C1CC[NH+](C)CC1 ZINC000052852564 522487506 /nfs/dbraw/zinc/48/75/06/522487506.db2.gz ROKBYZHSMNFWDP-UHFFFAOYSA-N 1 0 258.369 2.448 10 0 CEAERO CC[C@@H](CC1CC1)NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000070256967 522490460 /nfs/dbraw/zinc/49/04/60/522490460.db2.gz UCXNFIXHYPPHGB-STQMWFEESA-N 1 0 250.386 2.071 10 0 CEAERO CC[C@@H](CC[NH3+])NC(=O)[C@H]1CCCc2ccccc21 ZINC000054668397 522496553 /nfs/dbraw/zinc/49/65/53/522496553.db2.gz FOUVXUUIMLNONJ-ZFWWWQNUSA-N 1 0 260.381 2.350 10 0 CEAERO C[NH2+][C@H]1CCO[C@@](C)(c2cc(OC)ccc2OC)C1 ZINC000070341738 522505007 /nfs/dbraw/zinc/50/50/07/522505007.db2.gz AOWHXQXBRPDXJW-XHDPSFHLSA-N 1 0 265.353 2.317 10 0 CEAERO C[NH2+][C@H]1COc2cc(O[C@@H](C)C(=O)NC(C)(C)C)ccc21 ZINC000062804383 522507102 /nfs/dbraw/zinc/50/71/02/522507102.db2.gz ZMDXOQDSPPVBLK-GWCFXTLKSA-N 1 0 292.379 2.022 10 0 CEAERO CNc1c(F)cccc1C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061656073 522545232 /nfs/dbraw/zinc/54/52/32/522545232.db2.gz FIQLRYIHQKMMNK-LLVKDONJSA-N 1 0 279.359 2.034 10 0 CEAERO CC[C@@H](C[NH2+]C(C)C)N1CCN(c2nccs2)CC1 ZINC000052417628 522545474 /nfs/dbraw/zinc/54/54/74/522545474.db2.gz 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/nfs/dbraw/zinc/70/70/58/522707058.db2.gz ICLVUJBVYASGMS-QGZVFWFLSA-N 1 0 285.391 2.345 10 0 CEAERO CN(CC[NH2+]Cc1cccs1)Cc1cccnc1 ZINC000053383396 522865818 /nfs/dbraw/zinc/86/58/18/522865818.db2.gz BBCBLDVVCIOTAG-UHFFFAOYSA-N 1 0 261.394 2.365 10 0 CEAERO CC[C@H](Oc1ccc(Cl)cc1[C@H](C)[NH3+])C(N)=O ZINC000061676042 522874750 /nfs/dbraw/zinc/87/47/50/522874750.db2.gz KCPNGWWYHXMWIS-XVKPBYJWSA-N 1 0 256.733 2.002 10 0 CEAERO CC[C@@H]([NH2+][C@@H]1CCCS(=O)(=O)C1)c1ccc(O)cc1 ZINC000069143104 522925710 /nfs/dbraw/zinc/92/57/10/522925710.db2.gz RSLNJTSWMFKNQP-TZMCWYRMSA-N 1 0 283.393 2.010 10 0 CEAERO COCc1ccccc1NC(=O)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000049512003 523121147 /nfs/dbraw/zinc/12/11/47/523121147.db2.gz AGGYULWMLUOUCM-VXGBXAGGSA-N 1 0 262.353 2.160 10 0 CEAERO CC[C@@H](c1nc(C2CC2)cs1)N1CC[NH2+]CC1 ZINC000069086542 523128337 /nfs/dbraw/zinc/12/83/37/523128337.db2.gz MPONXWNVAZXJST-LBPRGKRZSA-N 1 0 251.399 2.377 10 0 CEAERO COc1ccc(-c2ccnn2C)cc1C[NH2+]C1CC1 ZINC000069467364 523142052 /nfs/dbraw/zinc/14/20/52/523142052.db2.gz TWMOFKWTWOBZQT-UHFFFAOYSA-N 1 0 257.337 2.348 10 0 CEAERO CN(Cc1cccc(F)c1)Cc1ccnc(C[NH3+])c1 ZINC000068749422 523310709 /nfs/dbraw/zinc/31/07/09/523310709.db2.gz KSMCFWYEUREVCM-UHFFFAOYSA-N 1 0 259.328 2.311 10 0 CEAERO CC[C@H]1CO[C@H](C)CN1Cc1cc(C)c(C[NH2+]C)o1 ZINC000052571292 523350648 /nfs/dbraw/zinc/35/06/48/523350648.db2.gz SOBJLPNAAOGTKZ-OLZOCXBDSA-N 1 0 266.385 2.307 10 0 CEAERO CC[C@H]1CSC(NC[C@H]2Cc3ccccc3O2)=[NH+]1 ZINC000051087008 523353335 /nfs/dbraw/zinc/35/33/35/523353335.db2.gz SRYYGLSVBKFMGK-NWDGAFQWSA-N 1 0 262.378 2.461 10 0 CEAERO CN(Cc1ccccc1F)Cc1cccnc1C[NH3+] ZINC000061656587 523374155 /nfs/dbraw/zinc/37/41/55/523374155.db2.gz FTLZFPHMXZVHNS-UHFFFAOYSA-N 1 0 259.328 2.311 10 0 CEAERO CC[C@](C)(CO)CN1CCC([NH+]2CCCCC2)CC1 ZINC000051293985 523464310 /nfs/dbraw/zinc/46/43/10/523464310.db2.gz MFKLQJOTPVMISW-INIZCTEOSA-N 1 0 268.445 2.345 10 0 CEAERO CC[C@@H]1CN([C@@H](C[NH3+])c2ccc(OC)c(C)c2)CCO1 ZINC000050596650 523468251 /nfs/dbraw/zinc/46/82/51/523468251.db2.gz VFVISEHDBGPSRB-CABCVRRESA-N 1 0 278.396 2.114 10 0 CEAERO COCCC[C@@H]([NH3+])C1(c2ccccc2)CCOCC1 ZINC000062783608 523468245 /nfs/dbraw/zinc/46/82/45/523468245.db2.gz VBNGEDXYKHHNLO-OAHLLOKOSA-N 1 0 263.381 2.489 10 0 CEAERO CC[C@@H]1CN(c2nc(C3CC3)c(CO)s2)CC[N@@H+]1C ZINC000069183446 523472134 /nfs/dbraw/zinc/47/21/34/523472134.db2.gz RDWRIJPLSPTFIX-LLVKDONJSA-N 1 0 281.425 2.043 10 0 CEAERO CCn1cccc1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000069052677 523501086 /nfs/dbraw/zinc/50/10/86/523501086.db2.gz NDEIPTOTCIOXMP-UHFFFAOYSA-N 1 0 269.348 2.406 10 0 CEAERO CC[C@@H]1COCCN1c1cc(Cl)ccc1C(N)=[NH2+] ZINC000062788831 523502481 /nfs/dbraw/zinc/50/24/81/523502481.db2.gz GWLHUJJBEVIFOW-SNVBAGLBSA-N 1 0 267.760 2.239 10 0 CEAERO COc1ccc(Br)cc1NC(=O)C[C@@H](C)[NH3+] ZINC000049569890 523504680 /nfs/dbraw/zinc/50/46/80/523504680.db2.gz QVVOLXMSFSDUDS-SSDOTTSWSA-N 1 0 287.157 2.134 10 0 CEAERO CN(Cc1csc(C[NH3+])n1)Cc1cccs1 ZINC000052456255 523525692 /nfs/dbraw/zinc/52/56/92/523525692.db2.gz GIVFDGYXBLPVBH-UHFFFAOYSA-N 1 0 253.396 2.295 10 0 CEAERO COCCN(C(=O)[C@@](C)([NH3+])c1ccccc1)[C@@H](C)C1CC1 ZINC000052882215 523548966 /nfs/dbraw/zinc/54/89/66/523548966.db2.gz UPWOLTXJSQTIMJ-GUYCJALGSA-N 1 0 290.407 2.134 10 0 CEAERO COCC[N@H+](C)CCNc1cccc(C(F)(F)F)n1 ZINC000061379549 523616002 /nfs/dbraw/zinc/61/60/02/523616002.db2.gz HPUXLCKSDWPTOK-UHFFFAOYSA-N 1 0 277.290 2.091 10 0 CEAERO COCC[N@H+](C)CCNc1nccc2sccc21 ZINC000061379617 523617070 /nfs/dbraw/zinc/61/70/70/523617070.db2.gz UIXZCQOFGSGPAS-UHFFFAOYSA-N 1 0 265.382 2.286 10 0 CEAERO CO[C@@H]1CCC[C@@H](Oc2nc(C)ccc2C[NH3+])C1 ZINC000070321907 523619792 /nfs/dbraw/zinc/61/97/92/523619792.db2.gz UCBBKHLKLKGNNQ-CHWSQXEVSA-N 1 0 250.342 2.185 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+][C@@H](C)CC[S@](C)=O)c1C ZINC000163417685 523665483 /nfs/dbraw/zinc/66/54/83/523665483.db2.gz UWONXLYTOYAMIZ-ZHYXMNDGSA-N 1 0 285.457 2.328 10 0 CEAERO COCCN(CC(C)C)C(=O)[C@H]1CCC[C@H](CC[NH3+])C1 ZINC000055161103 523677561 /nfs/dbraw/zinc/67/75/61/523677561.db2.gz FSIHDMVDSJHCED-CABCVRRESA-N 1 0 284.444 2.273 10 0 CEAERO CC[C@@]1(C(=O)N[C@H]2CCCC[C@@H]2C)CCC[NH2+]C1 ZINC000062852517 523695706 /nfs/dbraw/zinc/69/57/06/523695706.db2.gz GSXFMMURHDYPCX-KCQAQPDRSA-N 1 0 252.402 2.461 10 0 CEAERO CCc1c(C)nn([C@H](C)C[C@@](C)([NH2+]C(C)C)C(N)=O)c1C ZINC000068649232 523717141 /nfs/dbraw/zinc/71/71/41/523717141.db2.gz SSNUXSGIHFVMOQ-BDJLRTHQSA-N 1 0 294.443 2.255 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@@H](C(C)C)CN1CCn1ccnc1C ZINC000068704266 523718481 /nfs/dbraw/zinc/71/84/81/523718481.db2.gz MZGHTGZUUHLOPT-CVEARBPZSA-N 1 0 278.444 2.290 10 0 CEAERO COc1ccc(C(=O)N[C@H]2CCCCC[C@H]2[NH3+])cc1OC ZINC000063210718 523736610 /nfs/dbraw/zinc/73/66/10/523736610.db2.gz VHPVQUHXQBDQIL-OLZOCXBDSA-N 1 0 292.379 2.094 10 0 CEAERO COCCN([C@H](C[NH2+]CC(C)C)C(C)C)C1CC1 ZINC000052542343 523782502 /nfs/dbraw/zinc/78/25/02/523782502.db2.gz GHIGDHSIRRBGJO-OAHLLOKOSA-N 1 0 256.434 2.367 10 0 CEAERO COC(=O)[C@H](CC[N@H+](C)C1CCCCC1)NC(C)C ZINC000062443060 523897070 /nfs/dbraw/zinc/89/70/70/523897070.db2.gz QDRUCGPJYACHAW-AWEZNQCLSA-N 1 0 270.417 2.181 10 0 CEAERO CN1CCN(C[C@H]([NH3+])c2cccc3ccccc32)C1=O ZINC000052885751 523908007 /nfs/dbraw/zinc/90/80/07/523908007.db2.gz HBWYTPRRBDPMRW-HNNXBMFYSA-N 1 0 269.348 2.207 10 0 CEAERO COCC[NH2+]CC(C)(C)CCOCC(F)(F)F ZINC000054638734 523934936 /nfs/dbraw/zinc/93/49/36/523934936.db2.gz TXNFSXJAPNTQSY-UHFFFAOYSA-N 1 0 257.296 2.218 10 0 CEAERO COCC[NH2+]C[C@@H]1CCCN1Cc1ccc(F)cc1F ZINC000053650616 523940612 /nfs/dbraw/zinc/94/06/12/523940612.db2.gz JEFYVTVHAMTANX-AWEZNQCLSA-N 1 0 284.350 2.165 10 0 CEAERO COCC[NH2+]C[C@@](C)(O)c1ccc(CC(C)C)cc1 ZINC000055033691 523942874 /nfs/dbraw/zinc/94/28/74/523942874.db2.gz GUPGVWJRZWJBGQ-MRXNPFEDSA-N 1 0 265.397 2.329 10 0 CEAERO COCC[NH2+]Cc1c(C)nn(CCOCCC(C)C)c1C ZINC000054717707 523947179 /nfs/dbraw/zinc/94/71/79/523947179.db2.gz JIIPRWIAENCYEU-UHFFFAOYSA-N 1 0 297.443 2.299 10 0 CEAERO CCc1ccc(C[C@]2(C[NH2+]CCOC)CCOC2)cc1 ZINC000054666512 523951861 /nfs/dbraw/zinc/95/18/61/523951861.db2.gz SSMFAJRBKMJCMI-KRWDZBQOSA-N 1 0 277.408 2.434 10 0 CEAERO COCC[NH2+]Cc1cc2ccccc2nc1-n1ccnc1 ZINC000062738565 523951925 /nfs/dbraw/zinc/95/19/25/523951925.db2.gz KCMOHYPSSUKURH-UHFFFAOYSA-N 1 0 282.347 2.157 10 0 CEAERO CC[C@H](C)[NH+]1CCN(CC(=O)c2ccccc2)CC1 ZINC000055068279 523952965 /nfs/dbraw/zinc/95/29/65/523952965.db2.gz CGXNSUTWFJZLTA-AWEZNQCLSA-N 1 0 260.381 2.285 10 0 CEAERO COCC[NH2+]Cc1ccc(OC[C@@H]2CCCCO2)cc1 ZINC000062729061 523953466 /nfs/dbraw/zinc/95/34/66/523953466.db2.gz FKIVFPFRRKBTTM-INIZCTEOSA-N 1 0 279.380 2.371 10 0 CEAERO COCC[NH2+]Cc1ccccc1N1CCOCC1(C)C ZINC000062737022 523956083 /nfs/dbraw/zinc/95/60/83/523956083.db2.gz FPAABFVVISUWQM-UHFFFAOYSA-N 1 0 278.396 2.038 10 0 CEAERO CC[C@H](C)[NH+]1CCN(c2cc(N)cc(F)c2)CC1 ZINC000055066644 523960164 /nfs/dbraw/zinc/96/01/64/523960164.db2.gz YRKNFFHKCPTZBQ-NSHDSACASA-N 1 0 251.349 2.328 10 0 CEAERO CC[C@H](C)[NH+]1CCN(c2ncc([C@@H](C)O)s2)CC1 ZINC000055076435 523961656 /nfs/dbraw/zinc/96/16/56/523961656.db2.gz ZKLVXTOFWXIDNY-WDEREUQCSA-N 1 0 269.414 2.117 10 0 CEAERO COC(=O)[C@](C)(N)C[C@H](C)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000068627127 524002857 /nfs/dbraw/zinc/00/28/57/524002857.db2.gz HGVSVEVWVQMMBZ-TTZDDIAXSA-N 1 0 282.428 2.168 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)N1CCCc2ccccc2C1 ZINC000062945991 524003764 /nfs/dbraw/zinc/00/37/64/524003764.db2.gz IRJRCTGNEXAZHR-ZDUSSCGKSA-N 1 0 260.381 2.350 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](c2nc3c([nH]2)CCc2sccc2-3)C1 ZINC000061327096 524008853 /nfs/dbraw/zinc/00/88/53/524008853.db2.gz AJXASNWMOQZUOB-LDYMZIIASA-N 1 0 275.377 2.286 10 0 CEAERO CN(C)C(=O)c1ccc(N[C@H](C[NH3+])C2CCCCC2)nc1 ZINC000155846291 524025864 /nfs/dbraw/zinc/02/58/64/524025864.db2.gz UBHAWKCMWVNOBB-CQSZACIVSA-N 1 0 290.411 2.103 10 0 CEAERO COCCOc1cc2c(cc1C[NH2+]C(C)(C)C)OCO2 ZINC000062733862 524040791 /nfs/dbraw/zinc/04/07/91/524040791.db2.gz GKSSSGKNKBCSTG-UHFFFAOYSA-N 1 0 281.352 2.329 10 0 CEAERO CNC(=O)CCCOc1ccc(C)cc1C[NH2+]C(C)C ZINC000068817053 524065200 /nfs/dbraw/zinc/06/52/00/524065200.db2.gz HUVOQTCPRHJYPV-UHFFFAOYSA-N 1 0 278.396 2.398 10 0 CEAERO CNC(=O)CCCOc1cc(F)ccc1[C@H](C)[NH2+]C ZINC000068816939 524065376 /nfs/dbraw/zinc/06/53/76/524065376.db2.gz ARVKHYQWKQCOCH-JTQLQIEISA-N 1 0 268.332 2.011 10 0 CEAERO COc1ccc(C[NH2+]CC(C)C)cc1O[C@@H]1CCOC1=O ZINC000062732548 524069776 /nfs/dbraw/zinc/06/97/76/524069776.db2.gz OPTKZIBPDHYFJO-CQSZACIVSA-N 1 0 293.363 2.135 10 0 CEAERO COc1ccc(C[NH2+][C@H](CN(C)C)C(C)C)c(OC)c1 ZINC000049195077 524090031 /nfs/dbraw/zinc/09/00/31/524090031.db2.gz BUMQVMBFQQTOAW-OAHLLOKOSA-N 1 0 280.412 2.380 10 0 CEAERO COc1cccc([C@@H](O)[C@H]([NH3+])CC(C)C)c1OC ZINC000054929260 524106684 /nfs/dbraw/zinc/10/66/84/524106684.db2.gz YVDQMKUUZTZBNF-DGCLKSJQSA-N 1 0 253.342 2.111 10 0 CEAERO C[C@@H]1CCCC[C@H]1[N@H+](C)CC1(CO)CCOCC1 ZINC000052199767 524163446 /nfs/dbraw/zinc/16/34/46/524163446.db2.gz REYMBVLAVYYHJB-ZIAGYGMSSA-N 1 0 255.402 2.286 10 0 CEAERO COc1ccc(Cl)c(-n2nnnc2C[NH2+]C(C)(C)C)c1 ZINC000054748291 524172374 /nfs/dbraw/zinc/17/23/74/524172374.db2.gz ZEDPKKBSCSUPJR-UHFFFAOYSA-N 1 0 295.774 2.212 10 0 CEAERO C[C@H]1CCC[C@H](C(=O)N[C@@H]2CCc3ccccc3C2)[NH2+]1 ZINC000051632929 524178999 /nfs/dbraw/zinc/17/89/99/524178999.db2.gz WSQVWCHKUUUEHL-APHBMKBZSA-N 1 0 272.392 2.191 10 0 CEAERO C[C@@H]1CCCN(C(=O)c2c[nH+]c(NN)c(Cl)c2)[C@H]1C ZINC000051091734 524213384 /nfs/dbraw/zinc/21/33/84/524213384.db2.gz VZEIFBUTDLYAOR-BDAKNGLRSA-N 1 0 282.775 2.281 10 0 CEAERO COc1cccc2c1N(C(=O)[C@]1(C)CCC[NH2+]C1)CCC2 ZINC000062857871 524229700 /nfs/dbraw/zinc/22/97/00/524229700.db2.gz WAIBBHLCYMWJMG-QGZVFWFLSA-N 1 0 288.391 2.364 10 0 CEAERO C[C@@H](C(=O)Nc1cccc(OC(F)(F)F)c1)C1C[NH2+]C1 ZINC000163850584 524271761 /nfs/dbraw/zinc/27/17/61/524271761.db2.gz HUXULSNTIYXFFA-MRVPVSSYSA-N 1 0 288.269 2.379 10 0 CEAERO C[C@@H]1CCC[C@@H](C[NH3+])N1Cc1nc(-c2ccco2)no1 ZINC000070155118 524285602 /nfs/dbraw/zinc/28/56/02/524285602.db2.gz YINADFSXSDXSGD-MNOVXSKESA-N 1 0 276.340 2.031 10 0 CEAERO C[C@@H](C(=O)c1ccc(F)cc1)N1CCC[C@@H]1C[NH+](C)C ZINC000061645703 524306777 /nfs/dbraw/zinc/30/67/77/524306777.db2.gz MVZJQZWYZOFMFI-SWLSCSKDSA-N 1 0 278.371 2.423 10 0 CEAERO C[C@H](C[NH3+])CN(C)C(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000050518213 524307428 /nfs/dbraw/zinc/30/74/28/524307428.db2.gz BYHBIWJDVYDOJA-SNVBAGLBSA-N 1 0 288.313 2.301 10 0 CEAERO Cc1cc(C)c(OCC[C@@H]([NH2+]C(C)C)C(N)=O)c(C)c1 ZINC000062541408 524312250 /nfs/dbraw/zinc/31/22/50/524312250.db2.gz IDCHQWZOSJVVDQ-CQSZACIVSA-N 1 0 278.396 2.233 10 0 CEAERO C[C@H]1CC[C@@H](C(=O)N2CC[NH+](CCC(C)(C)C)CC2)O1 ZINC000150736930 524331513 /nfs/dbraw/zinc/33/15/13/524331513.db2.gz JVBJOASTELYJLG-KBPBESRZSA-N 1 0 282.428 2.134 10 0 CEAERO C[C@H]1CC[C@@H](C[NH3+])CN1Cc1noc(-c2ccsc2)n1 ZINC000070182017 524351291 /nfs/dbraw/zinc/35/12/91/524351291.db2.gz BHRINXILXBUJHM-QWRGUYRKSA-N 1 0 292.408 2.357 10 0 CEAERO C[C@@H]1CCC[C@H](S(=O)(=O)C2CCC([NH3+])CC2)C1 ZINC000055143941 524410631 /nfs/dbraw/zinc/41/06/31/524410631.db2.gz OYXNLMCITQPKIA-XVSSEFHLSA-N 1 0 259.415 2.250 10 0 CEAERO Cc1ccc(C[NH3+])cc1NC(=O)COc1ccccc1 ZINC000050430601 524424440 /nfs/dbraw/zinc/42/44/40/524424440.db2.gz YRCQOHZDRXDQJX-UHFFFAOYSA-N 1 0 270.332 2.471 10 0 CEAERO Cc1ccc(C[NH3+])cc1N1C(=O)C[C@@](C)(C(C)C)C1=O ZINC000050430521 524424510 /nfs/dbraw/zinc/42/45/10/524424510.db2.gz UQJGLWQEAVJFJX-INIZCTEOSA-N 1 0 274.364 2.379 10 0 CEAERO COc1ccc(NC(=[NH2+])NC(C)(C)C)cc1OC ZINC000052069419 524450491 /nfs/dbraw/zinc/45/04/91/524450491.db2.gz FPPPMECKBPDATE-UHFFFAOYSA-N 1 0 251.330 2.439 10 0 CEAERO C[C@@H](CC[NH+](C)C)N[C@@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000049553679 524476814 /nfs/dbraw/zinc/47/68/14/524476814.db2.gz UKKJRTPWPIPLEA-RYUDHWBXSA-N 1 0 291.395 2.008 10 0 CEAERO C[C@H](C[NH2+]C(C)(C)C)Oc1ccc(S(C)(=O)=O)cc1 ZINC000052701982 524479323 /nfs/dbraw/zinc/47/93/23/524479323.db2.gz QUAVJBUNLUORLS-LLVKDONJSA-N 1 0 285.409 2.246 10 0 CEAERO COc1ccccc1C[C@](C)(O)C[NH2+]CC(C)C ZINC000055030237 524514523 /nfs/dbraw/zinc/51/45/23/524514523.db2.gz QYHJGFJIKITEPP-HNNXBMFYSA-N 1 0 251.370 2.234 10 0 CEAERO COc1ccccc1N(C)c1cc(C(N)=[NH2+])ccn1 ZINC000049966715 524527599 /nfs/dbraw/zinc/52/75/99/524527599.db2.gz USXRIZIWOFSLHC-UHFFFAOYSA-N 1 0 256.309 2.142 10 0 CEAERO C[C@@H](C[NH3+])c1noc(Cc2ccccc2Cl)n1 ZINC000054158845 524588367 /nfs/dbraw/zinc/58/83/67/524588367.db2.gz VZTXXYPRGKVUNS-QMMMGPOBSA-N 1 0 251.717 2.376 10 0 CEAERO C[C@@H](C[NH+]1CCCC1)NCc1ccn(-c2ccccc2)n1 ZINC000061641067 524592280 /nfs/dbraw/zinc/59/22/80/524592280.db2.gz DOLBPJCLXXKUNX-HNNXBMFYSA-N 1 0 284.407 2.446 10 0 CEAERO Cc1cc(C)nc(SCc2ccnc(C(N)=[NH2+])c2)n1 ZINC000068762990 524602290 /nfs/dbraw/zinc/60/22/90/524602290.db2.gz AUYCEVDMHKLPTO-UHFFFAOYSA-N 1 0 273.365 2.065 10 0 CEAERO C[C@H](C[C@@](C)([NH3+])C(N)=O)Oc1cccc2ccccc21 ZINC000068656746 524629541 /nfs/dbraw/zinc/62/95/41/524629541.db2.gz GUCFMVHHABOMAN-BDJLRTHQSA-N 1 0 272.348 2.200 10 0 CEAERO C[C@@H]1CC[C@H](CN2C(=O)CC3(CCCC3)CC2=O)C[NH2+]1 ZINC000062037626 524671818 /nfs/dbraw/zinc/67/18/18/524671818.db2.gz UCCLSSQFKZUWES-OLZOCXBDSA-N 1 0 278.396 2.084 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C)N1C(=O)c1cc(Cl)ccc1F ZINC000069133048 524697873 /nfs/dbraw/zinc/69/78/73/524697873.db2.gz ZGOOPILTPSSNDN-IUCAKERBSA-N 1 0 270.735 2.302 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C)N1Cc1noc(-c2ccc(F)cc2)n1 ZINC000069134371 524701232 /nfs/dbraw/zinc/70/12/32/524701232.db2.gz NDZHXDWNBNYAIV-QWRGUYRKSA-N 1 0 290.342 2.058 10 0 CEAERO Cc1cccc(OCCCN2C[C@@H](C)[NH2+]C[C@@H]2C)c1 ZINC000062660313 524735505 /nfs/dbraw/zinc/73/55/05/524735505.db2.gz PYFRGOIXBMCDRL-CABCVRRESA-N 1 0 262.397 2.446 10 0 CEAERO Cc1cccc(OCCCN2[C@H](C)C[NH2+]C[C@H]2C)c1 ZINC000069134144 524735419 /nfs/dbraw/zinc/73/54/19/524735419.db2.gz UFJVHFRNVYYNFV-HUUCEWRRSA-N 1 0 262.397 2.446 10 0 CEAERO C[C@H](Cc1ccco1)[NH2+]C[C@H](N)Cc1ccccc1 ZINC000049147231 524747700 /nfs/dbraw/zinc/74/77/00/524747700.db2.gz WOPQHZLLCQGFLF-UKRRQHHQSA-N 1 0 258.365 2.370 10 0 CEAERO Cc1cc(C[NH2+]C(C)(C)C)cc(C)c1O[C@H](C)C(N)=O ZINC000062728500 524751867 /nfs/dbraw/zinc/75/18/67/524751867.db2.gz JGAYGCNKUFHPGS-GFCCVEGCSA-N 1 0 278.396 2.444 10 0 CEAERO Cc1ccc(F)c(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000052981209 524796056 /nfs/dbraw/zinc/79/60/56/524796056.db2.gz ATSZKIMOKNHGJL-YNEHKIRRSA-N 1 0 276.355 2.252 10 0 CEAERO Cc1ccc(F)c(C(=O)N[C@H]2CCCC[NH2+]C2)c1 ZINC000070120355 524797519 /nfs/dbraw/zinc/79/75/19/524797519.db2.gz GPCNVRGBBPIVOR-NSHDSACASA-N 1 0 250.317 2.006 10 0 CEAERO C[C@H]([NH3+])Cc1cccc(-n2nnc3ccccc32)c1 ZINC000069331563 524833839 /nfs/dbraw/zinc/83/38/39/524833839.db2.gz LMADSRXUZBBVGO-NSHDSACASA-N 1 0 252.321 2.310 10 0 CEAERO C[C@H]([NH3+])Cc1nc2ccccc2n1CC(F)(F)F ZINC000052125645 524837078 /nfs/dbraw/zinc/83/70/78/524837078.db2.gz AXLYIZAXKZBWPL-QMMMGPOBSA-N 1 0 257.259 2.488 10 0 CEAERO Cc1ccc(F)cc1C(=O)N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000062666744 524845046 /nfs/dbraw/zinc/84/50/46/524845046.db2.gz GDSRPYFYRMVPPA-QWHCGFSZSA-N 1 0 250.317 2.134 10 0 CEAERO COc1ccc(OC)c(N2C[C@H](C)C[NH2+]C[C@H](C)C2)c1 ZINC000049663642 524845330 /nfs/dbraw/zinc/84/53/30/524845330.db2.gz RFYBGWMVCPNQHD-BETUJISGSA-N 1 0 278.396 2.386 10 0 CEAERO Cc1ccc(F)cc1C(=O)Nc1nc2c(s1)C[NH2+]CC2 ZINC000062666677 524848682 /nfs/dbraw/zinc/84/86/82/524848682.db2.gz OIYBWXXUFDOAQN-UHFFFAOYSA-N 1 0 291.351 2.489 10 0 CEAERO C[C@H]([NH3+])[C@H]1CCCCN1c1cccc(Cl)c1C(N)=O ZINC000063196722 524858502 /nfs/dbraw/zinc/85/85/02/524858502.db2.gz BVFWDFTWJQRXJH-GXSJLCMTSA-N 1 0 281.787 2.145 10 0 CEAERO C[C@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(=O)c1ccc2ncccc2c1 ZINC000061416028 524863978 /nfs/dbraw/zinc/86/39/78/524863978.db2.gz JMRNZIGBYSPAFV-PEYYIBSZSA-N 1 0 281.359 2.057 10 0 CEAERO Cc1ccc(N(C)C(=O)c2ccc(NN)[nH+]c2)c(C)c1 ZINC000051117170 524883515 /nfs/dbraw/zinc/88/35/15/524883515.db2.gz DGHVOZLKDRSNOI-UHFFFAOYSA-N 1 0 270.336 2.261 10 0 CEAERO C[C@H]1C[C@H](C)CN(Cc2[nH+]c(NN)ccc2Cl)C1 ZINC000061638875 524887541 /nfs/dbraw/zinc/88/75/41/524887541.db2.gz VKTMUVDAFBDEHU-UWVGGRQHSA-N 1 0 268.792 2.499 10 0 CEAERO C[C@@H](Cc1ccco1)NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000049147539 524925723 /nfs/dbraw/zinc/92/57/23/524925723.db2.gz KBVIJZVJNDWFBH-NSHDSACASA-N 1 0 273.336 2.491 10 0 CEAERO C[C@@H](Cc1ccco1)[NH2+]CCc1nnc2ccccn21 ZINC000062769693 524927352 /nfs/dbraw/zinc/92/73/52/524927352.db2.gz UJLQKEBPVZBQRU-LBPRGKRZSA-N 1 0 270.336 2.086 10 0 CEAERO C[C@H](NC(=O)CC[C@H]1CCCC[NH2+]1)c1ccccn1 ZINC000050942100 524935955 /nfs/dbraw/zinc/93/59/55/524935955.db2.gz INGKIAQAKNYQEY-QWHCGFSZSA-N 1 0 261.369 2.181 10 0 CEAERO COc1ccc(OCCN2CCC[NH2+][C@@H](C(C)C)C2)cc1 ZINC000062707722 524954545 /nfs/dbraw/zinc/95/45/45/524954545.db2.gz ICFGLAGSQQSWQU-QGZVFWFLSA-N 1 0 292.423 2.394 10 0 CEAERO COc1ccc(OC[C@H](C)O)c(C[NH2+]CC(C)C)c1 ZINC000062727626 524970418 /nfs/dbraw/zinc/97/04/18/524970418.db2.gz GVSVLVKNCCEAKI-LBPRGKRZSA-N 1 0 267.369 2.200 10 0 CEAERO COc1nc(Cl)nc(NC[C@@H](C)C[NH+]2CCCCC2)n1 ZINC000061514219 524970568 /nfs/dbraw/zinc/97/05/68/524970568.db2.gz TZHKZEQBJKCXFF-SNVBAGLBSA-N 1 0 299.806 2.068 10 0 CEAERO C[C@H](NC(=O)C[C@H]1CCC[NH2+]C1)c1ccsc1 ZINC000061366512 524985182 /nfs/dbraw/zinc/98/51/82/524985182.db2.gz DFBIZWOXTXRLLU-WDEREUQCSA-N 1 0 252.383 2.315 10 0 CEAERO C[C@@H]1CN(c2ccc(C(N)=[NH2+])cc2Cl)[C@H](C)CO1 ZINC000062794019 525063577 /nfs/dbraw/zinc/06/35/77/525063577.db2.gz XEMBKCFMXBZJFT-RKDXNWHRSA-N 1 0 267.760 2.238 10 0 CEAERO Cc1ccccc1CCC(=O)N1[C@H](C)C[NH2+]C[C@@H]1C ZINC000069133451 525102235 /nfs/dbraw/zinc/10/22/35/525102235.db2.gz ZHAJWJAHQGMWRD-OKILXGFUSA-N 1 0 260.381 2.136 10 0 CEAERO C[C@]([NH3+])(C(=O)NCc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000061627047 525145458 /nfs/dbraw/zinc/14/54/58/525145458.db2.gz NXVSMAQJLANYPH-CYBMUJFWSA-N 1 0 286.297 2.449 10 0 CEAERO Cc1ccccc1CSCC[NH2+]CCN(C)C ZINC000054964943 525183827 /nfs/dbraw/zinc/18/38/27/525183827.db2.gz ZCJRVGSEGYZFDZ-UHFFFAOYSA-N 1 0 252.427 2.379 10 0 CEAERO Cc1ccccc1N(C)C[C@]([NH2+]C(C)C)(C(N)=O)C1CC1 ZINC000069231351 525215762 /nfs/dbraw/zinc/21/57/62/525215762.db2.gz KVNVMQOJEZDVMX-QGZVFWFLSA-N 1 0 289.423 2.063 10 0 CEAERO Cc1cc(NC[C@@H](C)C[NH3+])ncc1Br ZINC000164039537 525273264 /nfs/dbraw/zinc/27/32/64/525273264.db2.gz KYQLNRZTUXWROZ-ZETCQYMHSA-N 1 0 258.163 2.159 10 0 CEAERO Cc1ccc(NN)c(C(=O)NCCCC[N@@H+](C)C(C)C)c1 ZINC000053007497 525292123 /nfs/dbraw/zinc/29/21/23/525292123.db2.gz NXZKOCVBHMONSB-UHFFFAOYSA-N 1 0 292.427 2.131 10 0 CEAERO C[C@H]([NH2+]CC(=O)Nc1ccc(F)cc1F)[C@@H]1CCCO1 ZINC000183093510 525308421 /nfs/dbraw/zinc/30/84/21/525308421.db2.gz ZSLTYKDPWCDRIL-ZANVPECISA-N 1 0 284.306 2.060 10 0 CEAERO COc1ccc([C@H]([NH3+])c2cccnc2OC)cc1F ZINC000061443467 525363040 /nfs/dbraw/zinc/36/30/40/525363040.db2.gz IRPOYZPUUOMPDG-ZDUSSCGKSA-N 1 0 262.284 2.286 10 0 CEAERO COc1ccc([C@H]([NH3+])c2ncccc2C)c(OC)c1 ZINC000055232928 525364584 /nfs/dbraw/zinc/36/45/84/525364584.db2.gz KKBCAHKPUDIKFB-AWEZNQCLSA-N 1 0 258.321 2.455 10 0 CEAERO Cc1ccccc1[C@H]([NH3+])CCN1CCOC(C)(C)C1 ZINC000054018298 525423109 /nfs/dbraw/zinc/42/31/09/525423109.db2.gz QRNDYELOAQWDAX-OAHLLOKOSA-N 1 0 262.397 2.496 10 0 CEAERO Cc1ccc(OC[C@@H]2CC[C@H](C[NH2+]C3CC3)O2)cn1 ZINC000052596313 525431875 /nfs/dbraw/zinc/43/18/75/525431875.db2.gz LNUVPHLDKYSUND-CABCVRRESA-N 1 0 262.353 2.068 10 0 CEAERO COc1ccc([C@](C)(O)C[NH2+]C(C)(C)C)c(OC)c1 ZINC000055033286 525444459 /nfs/dbraw/zinc/44/44/59/525444459.db2.gz CCUZISNZGLJGQC-OAHLLOKOSA-N 1 0 267.369 2.299 10 0 CEAERO C[C@@H]([NH2+]CCSc1nnc2ccccn21)C1CC1 ZINC000061408849 525454875 /nfs/dbraw/zinc/45/48/75/525454875.db2.gz YRZRQYSNCRKXJP-SNVBAGLBSA-N 1 0 262.382 2.210 10 0 CEAERO Cc1ccc(O[C@@H](C)C[C@](C)([NH2+]C2CC2)C(N)=O)cc1C ZINC000068656033 525462136 /nfs/dbraw/zinc/46/21/36/525462136.db2.gz RGMJISFAUDGXJX-GUYCJALGSA-N 1 0 290.407 2.457 10 0 CEAERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)C(=O)N(C)Cc1ccccc1 ZINC000183104620 525525984 /nfs/dbraw/zinc/52/59/84/525525984.db2.gz YRUSQSJLNKSCBK-OFQRWUPVSA-N 1 0 290.407 2.191 10 0 CEAERO CSCC[C@@H]([NH3+])C(=O)NCC(C)(C)C1CCCC1 ZINC000157976984 525543828 /nfs/dbraw/zinc/54/38/28/525543828.db2.gz LGYPEWUEVMDTMQ-GFCCVEGCSA-N 1 0 272.458 2.399 10 0 CEAERO Cc1ccn(-c2nc3ccccn3c2C[NH2+]C2CC2)n1 ZINC000052884768 525568754 /nfs/dbraw/zinc/56/87/54/525568754.db2.gz TVJDVHMHWDMCFX-UHFFFAOYSA-N 1 0 267.336 2.080 10 0 CEAERO C[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1=O)c1ccc(Cl)cc1 ZINC000049525462 525600288 /nfs/dbraw/zinc/60/02/88/525600288.db2.gz UATXRLKNALZVDA-ZANVPECISA-N 1 0 292.766 2.281 10 0 CEAERO CSC[C@@H](C)C[NH2+]CC(=O)N1CCc2sccc2C1 ZINC000069447178 525621996 /nfs/dbraw/zinc/62/19/96/525621996.db2.gz QOQFNIFOPIIGJO-NSHDSACASA-N 1 0 298.477 2.222 10 0 CEAERO CSC[C@@H](C)C[NH2+][C@@H]1CCCc2c1cnn2C ZINC000069437877 525624017 /nfs/dbraw/zinc/62/40/17/525624017.db2.gz DUAJHVVCIAVCFV-CMPLNLGQSA-N 1 0 253.415 2.386 10 0 CEAERO C[C@@H]1[C@@H](C)CCC[N@@H+]1CC(=O)Nc1cccc(N)c1 ZINC000050562881 525640804 /nfs/dbraw/zinc/64/08/04/525640804.db2.gz HFXMYHBSVINMJO-NWDGAFQWSA-N 1 0 261.369 2.328 10 0 CEAERO Cc1ccnc(NCC[C@@H](C)[NH3+])c1Br ZINC000235157641 525691540 /nfs/dbraw/zinc/69/15/40/525691540.db2.gz KLRUUBOPNJQAHS-MRVPVSSYSA-N 1 0 258.163 2.302 10 0 CEAERO C[C@H](O)COc1cc2c(cc1C[NH2+]C(C)(C)C)OCO2 ZINC000062733885 525786314 /nfs/dbraw/zinc/78/63/14/525786314.db2.gz NUXGPLPCSHQHNK-JTQLQIEISA-N 1 0 281.352 2.063 10 0 CEAERO C[C@@]1(C(=O)OCCc2cccs2)CCC[NH2+]C1 ZINC000062871410 525820366 /nfs/dbraw/zinc/82/03/66/525820366.db2.gz MZNKGCLFSSUFNZ-CYBMUJFWSA-N 1 0 253.367 2.224 10 0 CEAERO Cc1ccc(-c2nnc(CCC[NH2+]C3CC3)o2)cn1 ZINC000050617593 525846142 /nfs/dbraw/zinc/84/61/42/525846142.db2.gz LRUQXDYDSJYBCL-UHFFFAOYSA-N 1 0 258.325 2.125 10 0 CEAERO C[C@H](O)c1ccccc1NC(=O)CCC1CC[NH2+]CC1 ZINC000050951308 525857908 /nfs/dbraw/zinc/85/79/08/525857908.db2.gz LEJRUJGFYUIUMF-LBPRGKRZSA-N 1 0 276.380 2.458 10 0 CEAERO C[C@H](O)c1ccccc1NC(=O)C1([NH3+])CCCCC1 ZINC000049547401 525858703 /nfs/dbraw/zinc/85/87/03/525858703.db2.gz GYBJQGWTNVHEFA-NSHDSACASA-N 1 0 262.353 2.340 10 0 CEAERO Cc1ccsc1[C@@H](C[NH3+])Sc1n[nH]c(=O)n1C1CC1 ZINC000061594698 525871879 /nfs/dbraw/zinc/87/18/79/525871879.db2.gz RKJDICMMAAMQHG-SECBINFHSA-N 1 0 296.421 2.068 10 0 CEAERO COc1cccc(CC(=O)N[C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000063210922 525874102 /nfs/dbraw/zinc/87/41/02/525874102.db2.gz OSUDUYAPJNHNMP-GJZGRUSLSA-N 1 0 276.380 2.014 10 0 CEAERO COc1cccc(CC[NH3+])c1OCCc1cccnc1 ZINC000063223791 525893067 /nfs/dbraw/zinc/89/30/67/525893067.db2.gz VRRXKAKEHJLWTD-UHFFFAOYSA-N 1 0 272.348 2.213 10 0 CEAERO C[C@@H](Oc1ccc(C[NH2+]C(C)(C)C)cc1)C(=O)N(C)C ZINC000062728736 525923177 /nfs/dbraw/zinc/92/31/77/525923177.db2.gz LZLNBTVFHUYLRH-GFCCVEGCSA-N 1 0 278.396 2.430 10 0 CEAERO Cc1ccc([C@H](C)n2nnnc2C[NH2+]C(C)C)cc1 ZINC000054747984 525951570 /nfs/dbraw/zinc/95/15/70/525951570.db2.gz HPWMQJMEJXIKAV-LBPRGKRZSA-N 1 0 259.357 2.089 10 0 CEAERO C[C@H](Oc1ccccc1C[NH2+]C(C)(C)C)C(=O)N(C)C ZINC000062729225 525961225 /nfs/dbraw/zinc/96/12/25/525961225.db2.gz CHNYFNJLHOSSQV-LBPRGKRZSA-N 1 0 278.396 2.430 10 0 CEAERO C[C@@H](c1cc(F)ccc1F)N(C)C(=O)[C@]1(C)CC[NH2+]C1 ZINC000062895211 526032154 /nfs/dbraw/zinc/03/21/54/526032154.db2.gz QPSSYEHJSTWZRX-ZUZCIYMTSA-N 1 0 282.334 2.484 10 0 CEAERO C[C@H](C(=O)Nc1ccccc1OC(F)(F)F)C1C[NH2+]C1 ZINC000163824172 526168009 /nfs/dbraw/zinc/16/80/09/526168009.db2.gz LVZIVVHIWVBDPZ-QMMMGPOBSA-N 1 0 288.269 2.379 10 0 CEAERO COc1cccc(NC(=O)N2C[C@@H](C[NH3+])CC[C@@H]2C)c1 ZINC000070180877 526189439 /nfs/dbraw/zinc/18/94/39/526189439.db2.gz NNDIDELYKXNKCQ-NWDGAFQWSA-N 1 0 277.368 2.286 10 0 CEAERO COc1cccc(OC)c1O[C@@H](C)C[NH2+]C(C)C ZINC000052650094 526224568 /nfs/dbraw/zinc/22/45/68/526224568.db2.gz IKEQNLATENNEAH-NSHDSACASA-N 1 0 253.342 2.469 10 0 CEAERO C[C@H]1CCCC[C@H]1NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000070252018 526262099 /nfs/dbraw/zinc/26/20/99/526262099.db2.gz PJCBIYNECUBTNE-RWMBFGLXSA-N 1 0 250.386 2.071 10 0 CEAERO Fc1cc(Br)ccc1COC1C[NH2+]C1 ZINC000062809912 526295472 /nfs/dbraw/zinc/29/54/72/526295472.db2.gz LDBZTCXEFCFHGM-UHFFFAOYSA-N 1 0 260.106 2.077 10 0 CEAERO O[C@H]1CCC2(C[C@H]1[NH+]1CCC3(CCCC3)CC1)OCCO2 ZINC000062955806 526302465 /nfs/dbraw/zinc/30/24/65/526302465.db2.gz SVGUANVIIHJZQR-CABCVRRESA-N 1 0 295.423 2.299 10 0 CEAERO Cc1nn([C@H](C[NH3+])c2ccncc2)c(C)c1Br ZINC000050589233 526306278 /nfs/dbraw/zinc/30/62/78/526306278.db2.gz WDITUDIPIQNUJX-LLVKDONJSA-N 1 0 295.184 2.206 10 0 CEAERO Cc1nn([C@H](C[NH3+])c2ccncc2)c(C)c1Cl ZINC000050586398 526306656 /nfs/dbraw/zinc/30/66/56/526306656.db2.gz SEJMPYWJHBTRHL-LLVKDONJSA-N 1 0 250.733 2.096 10 0 CEAERO Fc1ccc2c(c1)nc(CN1CCC[NH2+]CC1)n2C1CC1 ZINC000061145497 526375535 /nfs/dbraw/zinc/37/55/35/526375535.db2.gz HQOZAUCOMCBEQE-UHFFFAOYSA-N 1 0 288.370 2.306 10 0 CEAERO c1ccc(COC[C@@H]2CCOC2)c(C[NH2+]C2CC2)c1 ZINC000052705081 526474399 /nfs/dbraw/zinc/47/43/99/526474399.db2.gz VHHSPZRFIASTAB-CYBMUJFWSA-N 1 0 261.365 2.492 10 0 CEAERO c1ccc2c(c1)C[NH2+]C[C@H]2N1CCO[C@H]2CCCC[C@@H]21 ZINC000069266746 526508494 /nfs/dbraw/zinc/50/84/94/526508494.db2.gz WNRPUTOZXNCTNV-BBWFWOEESA-N 1 0 272.392 2.474 10 0 CEAERO c1ccc2nc(N3CCC[C@H]3[C@@H]3CCC[NH2+]3)cnc2c1 ZINC000052017912 526518633 /nfs/dbraw/zinc/51/86/33/526518633.db2.gz BOHVSHSQLVKPDS-GJZGRUSLSA-N 1 0 268.364 2.351 10 0 CEAERO c1cnc2ccc(CN3CC[NH2+]C[C@@H]3C3CC3)cc2c1 ZINC000068695905 526544698 /nfs/dbraw/zinc/54/46/98/526544698.db2.gz RXIFHHQVBZZSAH-QGZVFWFLSA-N 1 0 267.376 2.419 10 0 CEAERO O=C(CC[C@H]1CCCC[NH2+]1)N(CC(F)(F)F)C1CC1 ZINC000050951531 526564293 /nfs/dbraw/zinc/56/42/93/526564293.db2.gz UKDFDBCWWHJPIU-SNVBAGLBSA-N 1 0 278.318 2.462 10 0 CEAERO O=C(CC[C@H]1CCCC[NH2+]1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000050947463 526564489 /nfs/dbraw/zinc/56/44/89/526564489.db2.gz SGXSMJHMZYXTBN-ZIAGYGMSSA-N 1 0 290.411 2.038 10 0 CEAERO c1nn(CC[NH2+]C[C@H]2CCOC2)cc1-c1ccccc1 ZINC000054962338 526618994 /nfs/dbraw/zinc/61/89/94/526618994.db2.gz UKKDQDOKRDRLQM-CQSZACIVSA-N 1 0 271.364 2.176 10 0 CEAERO c1nn(-c2ccccc2)cc1COC[C@@H]1CCC[NH2+]C1 ZINC000051815346 526619132 /nfs/dbraw/zinc/61/91/32/526619132.db2.gz VLVUSJUZAJJJFC-CQSZACIVSA-N 1 0 271.364 2.389 10 0 CEAERO Cc1nc(C)c([C@H](C)[NH2+]Cc2ccsc2)c(=O)[nH]1 ZINC000063152503 526754748 /nfs/dbraw/zinc/75/47/48/526754748.db2.gz HLKAJBCIKHXGQX-QMMMGPOBSA-N 1 0 263.366 2.299 10 0 CEAERO Cc1oc(CN2CCOCC2)cc1C[NH2+]CC(C)C ZINC000052377773 526770846 /nfs/dbraw/zinc/77/08/46/526770846.db2.gz JPYGSNUESSXKNW-UHFFFAOYSA-N 1 0 266.385 2.166 10 0 CEAERO NC(=[NH2+])c1c(Cl)cccc1Sc1nnnn1C1CC1 ZINC000052907892 526818891 /nfs/dbraw/zinc/81/88/91/526818891.db2.gz TZLBGMVUTUZBMD-UHFFFAOYSA-N 1 0 294.771 2.097 10 0 CEAERO NC(=[NH2+])c1cc(Cn2ccnc2-c2ccccc2)ccn1 ZINC000068762114 526821200 /nfs/dbraw/zinc/82/12/00/526821200.db2.gz ALXANSGPBQIDAM-UHFFFAOYSA-N 1 0 277.331 2.277 10 0 CEAERO NC(=[NH2+])c1ccc(-n2ncc3ccccc32)c(F)c1 ZINC000050526143 526821862 /nfs/dbraw/zinc/82/18/62/526821862.db2.gz BAYWPPYQAKLVHU-UHFFFAOYSA-N 1 0 254.268 2.449 10 0 CEAERO Cc1nc(CN(C)C[C@]2(C)CCC[NH2+]C2)cs1 ZINC000062867630 526841057 /nfs/dbraw/zinc/84/10/57/526841057.db2.gz SNYHEMBHAFSQOS-CYBMUJFWSA-N 1 0 253.415 2.273 10 0 CEAERO Cc1nc(CNC[C@](C)([NH3+])c2ccccc2)cs1 ZINC000052883534 526887990 /nfs/dbraw/zinc/88/79/90/526887990.db2.gz GUSSQGYQZVBNCX-AWEZNQCLSA-N 1 0 261.394 2.415 10 0 CEAERO Cc1nc(Cc2cc(F)cc(F)c2)nc(C)c1CC[NH3+] ZINC000054836723 526926890 /nfs/dbraw/zinc/92/68/90/526926890.db2.gz ZKIBTQBYPMIDOZ-UHFFFAOYSA-N 1 0 277.318 2.464 10 0 CEAERO Cc1nc(Cc2cccnc2)nc(C)c1CC[NH2+]C1CC1 ZINC000054853849 526928834 /nfs/dbraw/zinc/92/88/34/526928834.db2.gz NIOVHKYOYCTXPV-UHFFFAOYSA-N 1 0 282.391 2.374 10 0 CEAERO Cc1nc(Cc2ccccn2)[nH+]c(NN)c1C(C)C ZINC000061688998 526928894 /nfs/dbraw/zinc/92/88/94/526928894.db2.gz UZRJOZOMELHRCV-UHFFFAOYSA-N 1 0 257.341 2.180 10 0 CEAERO Cc1nc(Cc2nc(C(C)C)cc(NN)[nH+]2)cs1 ZINC000055296732 526928981 /nfs/dbraw/zinc/92/89/81/526928981.db2.gz QIKMCMZLLDBNNP-UHFFFAOYSA-N 1 0 263.370 2.241 10 0 CEAERO Cc1nc(Cc2noc(CC[NH2+]C(C)(C)C)n2)cs1 ZINC000055273498 526932313 /nfs/dbraw/zinc/93/23/13/526932313.db2.gz KVZRGDMBEPABGC-UHFFFAOYSA-N 1 0 280.397 2.356 10 0 CEAERO Cc1nc(N(C)CC(F)(F)F)sc1[C@H](C)[NH3+] ZINC000054896126 526950020 /nfs/dbraw/zinc/95/00/20/526950020.db2.gz GQPVNGNNQQASOZ-YFKPBYRVSA-N 1 0 253.293 2.470 10 0 CEAERO Cc1nc(N(C)[C@@H]2CCC[N@H+](C)C2)sc1[C@@H](C)O ZINC000054911531 526951237 /nfs/dbraw/zinc/95/12/37/526951237.db2.gz KKWIATZYBLCRLU-GHMZBOCLSA-N 1 0 269.414 2.035 10 0 CEAERO NC(=O)Nc1cccc(NC(=O)CC[C@@H]2CCCC[NH2+]2)c1 ZINC000050944843 526952377 /nfs/dbraw/zinc/95/23/77/526952377.db2.gz WSZLQJPRTMVIKJ-NSHDSACASA-N 1 0 290.367 2.038 10 0 CEAERO Cc1nc(N(CC(F)(F)F)C2CC2)sc1C[NH3+] ZINC000054998528 526953644 /nfs/dbraw/zinc/95/36/44/526953644.db2.gz UUXWZYCGTUIHAX-UHFFFAOYSA-N 1 0 265.304 2.441 10 0 CEAERO O=C1CC2(CCCC2)C(=O)N1c1ccc2c(c1)C[NH2+]CC2 ZINC000069052854 526961682 /nfs/dbraw/zinc/96/16/82/526961682.db2.gz VHGYDMYGXNUAOA-UHFFFAOYSA-N 1 0 284.359 2.156 10 0 CEAERO Cc1nc(N2CCN(C)CC2)sc1C[NH2+]C(C)(C)C ZINC000054995364 526967246 /nfs/dbraw/zinc/96/72/46/526967246.db2.gz IXYDWSKUEMIUPR-UHFFFAOYSA-N 1 0 282.457 2.091 10 0 CEAERO Cc1nc(N2CC[NH+](CC3CC3)CC2)sc1[C@H](C)O ZINC000054928408 526969250 /nfs/dbraw/zinc/96/92/50/526969250.db2.gz ANTROCUDJMNLMW-NSHDSACASA-N 1 0 281.425 2.037 10 0 CEAERO Cc1nc(N2C[C@H](C)OC[C@@H]2C)sc1[C@@H](C)[NH3+] ZINC000054895556 526973228 /nfs/dbraw/zinc/97/32/28/526973228.db2.gz TVKRGJBKDDTRMC-XHNCKOQMSA-N 1 0 255.387 2.085 10 0 CEAERO O=C(N[C@H]1CCCC[NH2+]C1)c1cccc2[nH]ccc21 ZINC000070119980 527020793 /nfs/dbraw/zinc/02/07/93/527020793.db2.gz FAHVUSIZLBEOIM-NSHDSACASA-N 1 0 257.337 2.040 10 0 CEAERO NC(=O)c1cc(Cl)ccc1OCC[C@H]1CCCC[NH2+]1 ZINC000052859381 527026841 /nfs/dbraw/zinc/02/68/41/527026841.db2.gz JAYXBVUICUYNFF-LLVKDONJSA-N 1 0 282.771 2.350 10 0 CEAERO Cn1c2ccc([C@H]([NH3+])C3CCCCC3)cc2n(C)c1=O ZINC000051392453 527107190 /nfs/dbraw/zinc/10/71/90/527107190.db2.gz CZLYGKKRLMCHPZ-OAHLLOKOSA-N 1 0 273.380 2.457 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1ccc(F)c(F)c1F ZINC000054290098 527119582 /nfs/dbraw/zinc/11/95/82/527119582.db2.gz YIESMVMZUUJXSC-QMMMGPOBSA-N 1 0 272.270 2.432 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2CCc1cc(F)cc(F)c1 ZINC000054628556 527146831 /nfs/dbraw/zinc/14/68/31/527146831.db2.gz MPUDYPSHZATWRY-GOOCMWNKSA-N 1 0 266.335 2.461 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2c1nc2c(s1)CCCC2 ZINC000054629374 527146931 /nfs/dbraw/zinc/14/69/31/527146931.db2.gz AYXAJUUHJHXCKI-FGWVZKOKSA-N 1 0 263.410 2.480 10 0 CEAERO Cc1nc2ccccc2n(CCCC[C@@H](C)[NH3+])c1=O ZINC000052099146 527162808 /nfs/dbraw/zinc/16/28/08/527162808.db2.gz VISMIXIMYURYDX-LLVKDONJSA-N 1 0 259.353 2.222 10 0 CEAERO Cc1nc2ccccc2nc1N(CCC(N)=[NH2+])C(C)C ZINC000052099396 527172925 /nfs/dbraw/zinc/17/29/25/527172925.db2.gz LYAJFWJILCAZFG-UHFFFAOYSA-N 1 0 271.368 2.479 10 0 CEAERO [NH3+]CCc1cnc(-c2ccc3ncccc3c2)nc1 ZINC000062802665 527198133 /nfs/dbraw/zinc/19/81/33/527198133.db2.gz BEFOKZDNXUHLKX-UHFFFAOYSA-N 1 0 250.305 2.193 10 0 CEAERO [NH3+]C[C@H](C(=O)NC[C@@H]1CC=CCC1)c1ccccc1 ZINC000061613188 527223633 /nfs/dbraw/zinc/22/36/33/527223633.db2.gz XWQNXPHLWODXLY-HIFRSBDPSA-N 1 0 258.365 2.201 10 0 CEAERO [NH3+]C[C@H](Cc1ccccc1)C(=O)N1Cc2ccccc2C1 ZINC000050911856 527225349 /nfs/dbraw/zinc/22/53/49/527225349.db2.gz WMHYBAQIFXLWEX-KRWDZBQOSA-N 1 0 280.371 2.346 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1ccc(OCC2CC2)cc1 ZINC000157768883 527236540 /nfs/dbraw/zinc/23/65/40/527236540.db2.gz UQRAACJYKYCQTA-GDBMZVCRSA-N 1 0 288.391 2.333 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1N1C(=O)CC2(CCCCCC2)C1=O ZINC000061884270 527236903 /nfs/dbraw/zinc/23/69/03/527236903.db2.gz CPJMSUPXPHAKTO-CHWSQXEVSA-N 1 0 278.396 2.213 10 0 CEAERO [NH3+]Cc1cc(-n2cc(-c3ccccc3)cn2)ccn1 ZINC000054961985 527243450 /nfs/dbraw/zinc/24/34/50/527243450.db2.gz FXEATFUKLASLRE-UHFFFAOYSA-N 1 0 250.305 2.393 10 0 CEAERO [NH3+]Cc1ccccc1Sc1nnc2ccccn21 ZINC000061407096 527261226 /nfs/dbraw/zinc/26/12/26/527261226.db2.gz RZPQQQWTUNJMGI-UHFFFAOYSA-N 1 0 256.334 2.339 10 0 CEAERO O=C(Cc1cccc(F)c1)N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051358742 527261263 /nfs/dbraw/zinc/26/12/63/527261263.db2.gz SFLJUPCNIQFTGE-LSDHHAIUSA-N 1 0 276.355 2.111 10 0 CEAERO [NH3+]Cc1cn(CCOc2cc(Cl)ccc2Cl)nn1 ZINC000052652683 527262113 /nfs/dbraw/zinc/26/21/13/527262113.db2.gz MCTSQTRMQNKLAB-UHFFFAOYSA-N 1 0 287.150 2.123 10 0 CEAERO [NH3+]Cc1cnn(Cc2cc(Br)ccc2F)c1 ZINC000054716772 527264749 /nfs/dbraw/zinc/26/47/49/527264749.db2.gz BHGSXQRCQUKFPK-UHFFFAOYSA-N 1 0 284.132 2.292 10 0 CEAERO [NH3+]Cc1nc(-c2ccc(F)c(Br)c2)c[nH]1 ZINC000061689786 527265979 /nfs/dbraw/zinc/26/59/79/527265979.db2.gz YAVGWJUOCQQNCN-UHFFFAOYSA-N 1 0 270.105 2.437 10 0 CEAERO [NH3+]Cc1sc(N2CCO[C@@H]3CCC[C@@H]32)nc1C1CC1 ZINC000069180394 527269272 /nfs/dbraw/zinc/26/92/72/527269272.db2.gz KGFQCBYBSMAQDL-WDEREUQCSA-N 1 0 279.409 2.237 10 0 CEAERO NNc1cc(COc2ccc(F)cc2F)cc[nH+]1 ZINC000052728324 527274719 /nfs/dbraw/zinc/27/47/19/527274719.db2.gz JQGABDNRZHFSNP-UHFFFAOYSA-N 1 0 251.236 2.224 10 0 CEAERO NNc1ccc(C(=O)Nc2ccccc2OC(F)F)c[nH+]1 ZINC000051123270 527278918 /nfs/dbraw/zinc/27/89/18/527278918.db2.gz XMVDJWQSFBCYIE-UHFFFAOYSA-N 1 0 294.261 2.221 10 0 CEAERO [NH3+][C@H](Cc1ccccc1Br)c1cncnc1 ZINC000055335185 527389363 /nfs/dbraw/zinc/38/93/63/527389363.db2.gz BCVNPKAXWBSTKD-GFCCVEGCSA-N 1 0 278.153 2.482 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)C1(c2ccccc2)CC1 ZINC000061618345 527397606 /nfs/dbraw/zinc/39/76/06/527397606.db2.gz IUINPOUBMHDYKJ-UONOGXRCSA-N 1 0 258.365 2.104 10 0 CEAERO O=c1c2sccc2ncn1CC[NH2+]CC1CCCC1 ZINC000053529469 527472229 /nfs/dbraw/zinc/47/22/29/527472229.db2.gz KVNRGHOPEANKCK-UHFFFAOYSA-N 1 0 277.393 2.238 10 0 CEAERO Cc1ncsc1C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000063189252 527476061 /nfs/dbraw/zinc/47/60/61/527476061.db2.gz BNDIPKNMAGJKMH-NEPJUHHUSA-N 1 0 279.409 2.198 10 0 CEAERO O=c1ccn(CC[NH2+]Cc2ccc(Cl)s2)cc1 ZINC000061628632 527491425 /nfs/dbraw/zinc/49/14/25/527491425.db2.gz AWUFQHBSQJXPJC-UHFFFAOYSA-N 1 0 268.769 2.353 10 0 CEAERO O=C(Nc1nc(-c2cccs2)cs1)[C@@H]1CC[NH2+]C1 ZINC000150693185 527503638 /nfs/dbraw/zinc/50/36/38/527503638.db2.gz VGESEVLWVNWHGC-MRVPVSSYSA-N 1 0 279.390 2.420 10 0 CEAERO Nc1cnn(CC[N@H+](Cc2ccsc2)C2CC2)c1 ZINC000050614793 527539258 /nfs/dbraw/zinc/53/92/58/527539258.db2.gz BVYQGZQOJXUSFI-UHFFFAOYSA-N 1 0 262.382 2.191 10 0 CEAERO FC(F)(F)CCNC[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000063101421 527666205 /nfs/dbraw/zinc/66/62/05/527666205.db2.gz NAJLILIGFRQOKW-AXFHLTTASA-N 1 0 250.308 2.449 10 0 CEAERO FC(F)(F)COCCC[NH2+]CCc1cccnc1 ZINC000049312357 527669444 /nfs/dbraw/zinc/66/94/44/527669444.db2.gz PYYZNPGXWKVTLN-UHFFFAOYSA-N 1 0 262.275 2.183 10 0 CEAERO FC(F)(F)CO[C@@H]1CCC[C@H]([NH2+]Cc2cncnc2)C1 ZINC000054767843 527671471 /nfs/dbraw/zinc/67/14/71/527671471.db2.gz DKXNXBYNBPCDIP-NWDGAFQWSA-N 1 0 289.301 2.456 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1nc(C)c(C)o1 ZINC000175335531 529097842 /nfs/dbraw/zinc/09/78/42/529097842.db2.gz VOILUTLIVVOLHZ-ZDUSSCGKSA-N 1 0 251.374 2.208 10 0 CEAERO CC(C)(C)c1cc(C(C)(C)C)nc(N2CC[NH2+]CC2)n1 ZINC000071397908 535105333 /nfs/dbraw/zinc/10/53/33/535105333.db2.gz JKKPXMCYONXHMX-UHFFFAOYSA-N 1 0 276.428 2.481 10 0 CEAERO CC(C)C[NH2+]Cc1cncc(N2CCC[C@@H](C)C2)n1 ZINC000091418390 535169819 /nfs/dbraw/zinc/16/98/19/535169819.db2.gz IIWGGGQXIRBQLZ-CYBMUJFWSA-N 1 0 262.401 2.459 10 0 CEAERO CCC[NH2+][C@@H]1CCN(CC(=O)NCC)c2ccccc21 ZINC000071378320 535186112 /nfs/dbraw/zinc/18/61/12/535186112.db2.gz VGBXRUPJOJDFFY-CQSZACIVSA-N 1 0 275.396 2.074 10 0 CEAERO CC(C)COc1nc(N2CCC[C@@H]([NH+](C)C)C2)ccc1N ZINC000091394948 535246082 /nfs/dbraw/zinc/24/60/82/535246082.db2.gz LGZCZKASGZQOER-CYBMUJFWSA-N 1 0 292.427 2.229 10 0 CEAERO CCN(CC)C(=O)CN1CC[C@@H]([NH2+]C)c2ccccc21 ZINC000071325722 535434934 /nfs/dbraw/zinc/43/49/34/535434934.db2.gz UYMBWFCFXCKIJA-CQSZACIVSA-N 1 0 275.396 2.026 10 0 CEAERO COc1ccc(Br)c(N2CCC[C@@H]([NH3+])C2)c1 ZINC000083869866 536629713 /nfs/dbraw/zinc/62/97/13/536629713.db2.gz DFUSIXDLWNOVSJ-SECBINFHSA-N 1 0 285.185 2.385 10 0 CEAERO COc1ccc(Br)cc1N1CCC[C@H]([NH3+])C1 ZINC000070586314 536639489 /nfs/dbraw/zinc/63/94/89/536639489.db2.gz QDXXOCQWVIZNLE-JTQLQIEISA-N 1 0 285.185 2.385 10 0 CEAERO COc1ncnc(N2CCC(C[NH2+]CC(C)C)CC2)c1C ZINC000090789027 536904726 /nfs/dbraw/zinc/90/47/26/536904726.db2.gz XYQYBMWCEWELAH-UHFFFAOYSA-N 1 0 292.427 2.256 10 0 CEAERO COc1ccccc1N1CC[NH+]([C@@H]2CCC[C@H](O)C2)CC1 ZINC000093731515 537070079 /nfs/dbraw/zinc/07/00/79/537070079.db2.gz XLPROLVZOLIHLN-CABCVRRESA-N 1 0 290.407 2.121 10 0 CEAERO CCOC(=O)[C@]1(c2ccccc2)CCC=C[C@H]1[NH2+]C ZINC000005575420 560202544 /nfs/dbraw/zinc/20/25/44/560202544.db2.gz PDJZPNKVLDWEKI-ZBFHGGJFSA-N 1 0 259.349 2.426 10 0 in-vitro CEAERO [NH3+]C[C@H]1CCN1Cc1ccc(Br)cc1F ZINC000757141064 574510196 /nfs/dbraw/zinc/51/01/96/574510196.db2.gz CSAVQJOVGZKYKY-SNVBAGLBSA-N 1 0 273.149 2.121 10 0 CEAERO CCOC(=O)[C@@H]1CCC[NH2+][C@@H]1c1ccc(C=O)s1 ZINC000757218635 574513531 /nfs/dbraw/zinc/51/35/31/574513531.db2.gz VNUROQDXBWMBNY-PWSUYJOCSA-N 1 0 267.350 2.164 10 0 CEAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000757184163 574511594 /nfs/dbraw/zinc/51/15/94/574511594.db2.gz JIUXFVDUTACPLM-OLZOCXBDSA-N 1 0 265.328 2.470 10 0 CEAERO Cc1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)c(Br)c1 ZINC000235341380 625328831 /nfs/dbraw/zinc/32/88/31/625328831.db2.gz XROMCGHARCTACQ-SKDRFNHKSA-N 1 0 297.196 2.177 10 0 CEAERO C[C@@H]1CN(C(=O)c2cccc(C(F)(F)F)c2)C[C@H]1[NH3+] ZINC000235362532 625342746 /nfs/dbraw/zinc/34/27/46/625342746.db2.gz CTXYYFGIFYTIAB-LDYMZIIASA-N 1 0 272.270 2.125 10 0 CEAERO Cc1oc(-c2cccs2)nc1CN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235407741 625424373 /nfs/dbraw/zinc/42/43/73/625424373.db2.gz NWJBZRRVCCOJBJ-KOLCDFICSA-N 1 0 277.393 2.491 10 0 CEAERO CC(C)([NH3+])CCNc1cncc(Br)c1 ZINC000307556599 623194172 /nfs/dbraw/zinc/19/41/72/623194172.db2.gz OPBXJHRGNKNCIP-UHFFFAOYSA-N 1 0 258.163 2.383 10 0 CEAERO C[C@H]1CN(Cc2ccc(C(F)(F)F)cc2)C[C@H]1[NH3+] ZINC000261549053 623369559 /nfs/dbraw/zinc/36/95/59/623369559.db2.gz FXHNTSXFTXIBBA-JOYOIKCWSA-N 1 0 258.287 2.484 10 0 CEAERO [NH3+][C@H](CC1CCCCC1)C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000261768333 623449781 /nfs/dbraw/zinc/44/97/81/623449781.db2.gz VRDXZOJSKKDRPH-OAGGEKHMSA-N 1 0 294.439 2.454 10 0 CEAERO C/C(=C/C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000255377951 623841209 /nfs/dbraw/zinc/84/12/09/623841209.db2.gz KPFLVFGCYYPLRE-OBEJXRGXSA-N 1 0 270.376 2.397 10 0 CEAERO COC(=O)C[C@H]([NH3+])c1ccc(F)c(C(F)(F)F)c1 ZINC000095638403 624186678 /nfs/dbraw/zinc/18/66/78/624186678.db2.gz KYTZFINADGMAIU-VIFPVBQESA-N 1 0 265.206 2.407 10 0 CEAERO CN(CC[N@@H+]1CCCC[C@H]1CO)Cc1ccc(F)cc1 ZINC000248556839 624428700 /nfs/dbraw/zinc/42/87/00/624428700.db2.gz LFBRTPRSCRQMMI-INIZCTEOSA-N 1 0 280.387 2.104 10 0 CEAERO Oc1ccc(C[NH2+][C@@H]2CCCC[C@H]2O)cc1Cl ZINC000052002736 624726051 /nfs/dbraw/zinc/72/60/51/624726051.db2.gz TZCLDEOBAFUPNR-DGCLKSJQSA-N 1 0 255.745 2.439 10 0 CEAERO C[C@H](Nc1cnc2ccccc2n1)[C@@H]1CCC[NH2+]C1 ZINC000052017884 624731510 /nfs/dbraw/zinc/73/15/10/624731510.db2.gz VUOHYIFHGUMNIL-NWDGAFQWSA-N 1 0 256.353 2.430 10 0 CEAERO CCS(=O)(=O)c1ccc(N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000250256896 625085759 /nfs/dbraw/zinc/08/57/59/625085759.db2.gz XFGNCVADPDRGMQ-QWHCGFSZSA-N 1 0 296.436 2.044 10 0 CEAERO C[C@H]1CN(C(=O)Cc2cccc3ccccc32)C[C@H]1[NH3+] ZINC000235719281 625722501 /nfs/dbraw/zinc/72/25/01/625722501.db2.gz JVXFLCCMDINIQR-BLLLJJGKSA-N 1 0 268.360 2.188 10 0 CEAERO CCCCOC(=O)[C@H](C)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000177702658 625830006 /nfs/dbraw/zinc/83/00/06/625830006.db2.gz YVHSUXZTZUDRDN-KBPBESRZSA-N 1 0 270.417 2.134 10 0 CEAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)c(F)c1 ZINC000236168586 625904399 /nfs/dbraw/zinc/90/43/99/625904399.db2.gz FHTDAJWKYRUKJK-ZACCUICWSA-N 1 0 282.746 2.492 10 0 CEAERO [NH3+]CCCCCCNc1nccc(C(F)(F)F)n1 ZINC000236169161 625904819 /nfs/dbraw/zinc/90/48/19/625904819.db2.gz QHNREFQHDVVVOJ-UHFFFAOYSA-N 1 0 262.279 2.426 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cccc(Cl)c1F ZINC000229585997 627275229 /nfs/dbraw/zinc/27/52/29/627275229.db2.gz LFHSOJVBKOJUIL-KCJUWKMLSA-N 1 0 270.735 2.349 10 0 CEAERO O[C@H]1CCC[C@H]([NH2+]Cc2cc(F)c(F)cc2F)C1 ZINC000225263004 627323844 /nfs/dbraw/zinc/32/38/44/627323844.db2.gz LOCGFHDKNULJMA-UWVGGRQHSA-N 1 0 259.271 2.497 10 0 CEAERO CC(C)[C@@H](c1nc(Cc2ccncc2)no1)[C@H](C)[NH3+] ZINC000104063086 627370127 /nfs/dbraw/zinc/37/01/27/627370127.db2.gz XCVYZXVTOIROBW-GXFFZTMASA-N 1 0 260.341 2.142 10 0 CEAERO CN(C(=O)n1ccnc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309704554 627783617 /nfs/dbraw/zinc/78/36/17/627783617.db2.gz HJRFFDVXWSPKTE-OAHLLOKOSA-N 1 0 284.363 2.058 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(Cl)Cl ZINC000182179689 628146955 /nfs/dbraw/zinc/14/69/55/628146955.db2.gz MWZSNPIMBDZOIP-SNVBAGLBSA-N 1 0 281.227 2.417 10 0 CEAERO CC[C@@H]1CCC[C@@H](C[NH2+][C@H]2CCCN(CCO)C2)C1 ZINC000394587175 628147062 /nfs/dbraw/zinc/14/70/62/628147062.db2.gz YDHDUCPTCADRQQ-OAGGEKHMSA-N 1 0 268.445 2.249 10 0 CEAERO CC[C@H]1CN(c2cccc(Cl)n2)CC[N@@H+]1C[C@@H](C)O ZINC000192790748 628451824 /nfs/dbraw/zinc/45/18/24/628451824.db2.gz UHCLLJKVWDEAQY-NEPJUHHUSA-N 1 0 283.803 2.016 10 0 CEAERO Clc1csc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c1 ZINC000194346646 628505599 /nfs/dbraw/zinc/50/55/99/628505599.db2.gz ZYWWMVVROYLLPR-LBPRGKRZSA-N 1 0 286.828 2.308 10 0 CEAERO CCc1ccc([C@H](C)[NH2+]C2CCN(CCO)CC2)cc1 ZINC000399106774 628776305 /nfs/dbraw/zinc/77/63/05/628776305.db2.gz XYLYAPPKMALGMX-AWEZNQCLSA-N 1 0 276.424 2.356 10 0 CEAERO OC1CC(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000094374678 628836054 /nfs/dbraw/zinc/83/60/54/628836054.db2.gz KKTDICZYTIDZJY-ROKHWSDSSA-N 1 0 253.386 2.229 10 0 CEAERO C[NH2+][C@H](C)C(=O)Nc1ccc(N(C)C(C)C)c(F)c1 ZINC000054073163 628846863 /nfs/dbraw/zinc/84/68/63/628846863.db2.gz JBSSGPROGIWTPM-SNVBAGLBSA-N 1 0 267.348 2.217 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(Br)nc1 ZINC000226393178 628904061 /nfs/dbraw/zinc/90/40/61/628904061.db2.gz CLRHZVMYTXLQGU-OIBJUYFYSA-N 1 0 286.173 2.156 10 0 CEAERO C[C@H]1CN(Cc2cc(F)ccc2Br)C[C@H]1[NH3+] ZINC000261533932 628935788 /nfs/dbraw/zinc/93/57/88/628935788.db2.gz LOAMJMWMJJMOQS-QPUJVOFHSA-N 1 0 287.176 2.367 10 0 CEAERO Cc1cc(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)ccc1Cl ZINC000261546260 628937119 /nfs/dbraw/zinc/93/71/19/628937119.db2.gz GUBIHZMWZOCZRV-JOYOIKCWSA-N 1 0 252.745 2.210 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(c3nc4ccccc4s3)C[C@H]12 ZINC000261555618 628938008 /nfs/dbraw/zinc/93/80/08/628938008.db2.gz BMVTXJYMIGSQCJ-OUAUKWLOSA-N 1 0 259.378 2.470 10 0 CEAERO C[C@H]1CN(Cc2coc(-c3ccccc3)n2)C[C@H]1[NH3+] ZINC000261568997 628940377 /nfs/dbraw/zinc/94/03/77/628940377.db2.gz LLPBUFRGOHYFTE-SMDDNHRTSA-N 1 0 257.337 2.121 10 0 CEAERO [NH3+][C@@H]1CC[C@H]2CN(c3ccnc(C(F)(F)F)c3)C[C@@H]12 ZINC000261577528 628941024 /nfs/dbraw/zinc/94/10/24/628941024.db2.gz CUSDYMNLXFSRAS-JMJZKYOTSA-N 1 0 271.286 2.274 10 0 CEAERO C[C@H]([NH3+])[C@H]1CCN(c2ccnc(C(F)(F)F)c2)C1 ZINC000261581595 628941510 /nfs/dbraw/zinc/94/15/10/628941510.db2.gz QTRVUTKMVPNWEY-IUCAKERBSA-N 1 0 259.275 2.274 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1ccc(Br)nc1 ZINC000232477321 628948374 /nfs/dbraw/zinc/94/83/74/628948374.db2.gz XKUXXSZVHNLKDC-VIFPVBQESA-N 1 0 298.184 2.172 10 0 CEAERO Cc1cc2c(ncnc2N2C[C@H](C)[NH2+]C[C@H]2C)s1 ZINC000250907058 629158209 /nfs/dbraw/zinc/15/82/09/629158209.db2.gz AXPXEVDAWMSRHO-DTWKUNHWSA-N 1 0 262.382 2.186 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)Nc1ccc(NC(=O)NC(C)C)cc1 ZINC000262331778 630688517 /nfs/dbraw/zinc/68/85/17/630688517.db2.gz VTMVSIMTLDGNGS-CYBMUJFWSA-N 1 0 292.383 2.282 10 0 CEAERO C[C@H](CC1CCCC1)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000237366722 631654414 /nfs/dbraw/zinc/65/44/14/631654414.db2.gz HMWJWNHRQMYSJY-MRVWCRGKSA-N 1 0 252.402 2.446 10 0 CEAERO COc1cncc(-c2cc(F)cc3c2O[C@@H](C[NH3+])C3)c1 ZINC000067755296 631692158 /nfs/dbraw/zinc/69/21/58/631692158.db2.gz YQQGSRJIGIRKIQ-GFCCVEGCSA-N 1 0 274.295 2.159 10 0 CEAERO Cc1ccc(CN2CC[C@@H]2C[NH3+])cc1Br ZINC000757140751 631822286 /nfs/dbraw/zinc/82/22/86/631822286.db2.gz BDAAUXICKNTHEC-LLVKDONJSA-N 1 0 269.186 2.291 10 0 CEAERO C[C@@H]1SCC[C@]12C[NH2+]C[C@@H]2C(=O)OC(C)(C)C ZINC000757184089 631830549 /nfs/dbraw/zinc/83/05/49/631830549.db2.gz IXTKJVJNJMFGQE-CWSCBRNRSA-N 1 0 257.399 2.059 10 0 CEAERO CCc1cccnc1-c1noc([C@H]2CC[C@H]([NH3+])C2)n1 ZINC000157294413 639477522 /nfs/dbraw/zinc/47/75/22/639477522.db2.gz WEQKFAATHLPUER-QWRGUYRKSA-N 1 0 258.325 2.289 10 0 CEAERO CCc1cccnc1-c1noc(C[C@H]2CCC[NH2+]C2)n1 ZINC000157312789 639481590 /nfs/dbraw/zinc/48/15/90/639481590.db2.gz BNUUVCSYMKUXFZ-LLVKDONJSA-N 1 0 272.352 2.236 10 0 CEAERO COc1cc(-c2noc([C@H]3CC[C@@H]([NH3+])C3)n2)ccc1F ZINC000225481752 639498802 /nfs/dbraw/zinc/49/88/02/639498802.db2.gz KJUUOWKLZYCJIT-VHSXEESVSA-N 1 0 277.299 2.479 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCOC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000157982834 639557068 /nfs/dbraw/zinc/55/70/68/639557068.db2.gz KTJRLODYDFXMPM-MGPQQGTHSA-N 1 0 298.427 2.401 10 0 CEAERO C[C@H](Cc1ccccc1)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000158049317 639562287 /nfs/dbraw/zinc/56/22/87/639562287.db2.gz LAZYATFAFNANSM-YUELXQCFSA-N 1 0 260.381 2.109 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]Cc2cncc3ccccc32)C1 ZINC000158095924 639569429 /nfs/dbraw/zinc/56/94/29/639569429.db2.gz IJTNNJHOTKMDHW-INIZCTEOSA-N 1 0 285.391 2.045 10 0 CEAERO CO[C@H](c1noc(-c2ccc(C[NH3+])cc2)n1)C1CC1 ZINC000227333315 639585060 /nfs/dbraw/zinc/58/50/60/639585060.db2.gz UJGIBSGJDCZPEB-LBPRGKRZSA-N 1 0 259.309 2.293 10 0 CEAERO C[C@@H]([NH3+])C[C@H](C)Nc1ccccc1S(=O)(=O)C(F)F ZINC000228270085 639627156 /nfs/dbraw/zinc/62/71/56/639627156.db2.gz HHQJLULFLDEYNL-BDAKNGLRSA-N 1 0 292.351 2.221 10 0 CEAERO C[C@H]([NH2+][C@@H]1C[C@@H]2CC=C[C@@H]12)[C@@H](O)c1ccc(O)cc1 ZINC000229932936 639724667 /nfs/dbraw/zinc/72/46/67/639724667.db2.gz FFWAYYKSROAMGE-QAQUCLOOSA-N 1 0 259.349 2.368 10 0 CEAERO CCCCC[C@@H](C)NC(=O)CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000231668493 639870291 /nfs/dbraw/zinc/87/02/91/639870291.db2.gz DDSRNRFLTVAJKO-HUUCEWRRSA-N 1 0 283.460 2.145 10 0 CEAERO CC(C)[C@@H]([NH3+])Cc1nc(-c2ccc(O)c(F)c2)no1 ZINC000232349186 639914691 /nfs/dbraw/zinc/91/46/91/639914691.db2.gz ZWMSUIHHHNPCMF-JTQLQIEISA-N 1 0 265.288 2.107 10 0 CEAERO C[C@@H]1Cc2ccccc2N(C(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000105569080 640790630 /nfs/dbraw/zinc/79/06/30/640790630.db2.gz KJJVNLPEZSHSBV-OCCSQVGLSA-N 1 0 258.365 2.211 10 0 CEAERO [NH3+]CCCCCC(=O)NC[C@@H](O)c1ccc(Cl)cc1 ZINC000154457408 640903959 /nfs/dbraw/zinc/90/39/59/640903959.db2.gz UKZHHXSBIFUZIP-CYBMUJFWSA-N 1 0 284.787 2.009 10 0 CEAERO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2CCO[C@H](C)C2)cc1F ZINC000181366370 641543841 /nfs/dbraw/zinc/54/38/41/641543841.db2.gz CGZFNUJLSHQIGD-CHWSQXEVSA-N 1 0 294.370 2.032 10 0 CEAERO COC[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1ccco1 ZINC000184589747 641876877 /nfs/dbraw/zinc/87/68/77/641876877.db2.gz VMJGCUAWZKDUEF-GDBMZVCRSA-N 1 0 275.348 2.464 10 0 CEAERO C[C@H](Nc1nccc(C(F)(F)F)n1)[C@@H]1CCC[NH2+]C1 ZINC000081586884 641911054 /nfs/dbraw/zinc/91/10/54/641911054.db2.gz PMHDKQXKJLJDMC-DTWKUNHWSA-N 1 0 274.290 2.295 10 0 CEAERO CCSc1ccc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC000186936432 643366774 /nfs/dbraw/zinc/36/67/74/643366774.db2.gz FCMPITXGMRPITL-XQQFMLRXSA-N 1 0 291.420 2.003 10 0 CEAERO CC(C)N(CC[NH+](C)C)S(=O)(=O)/C=C/c1ccccc1 ZINC000123472871 648994705 /nfs/dbraw/zinc/99/47/05/648994705.db2.gz CFQHZTUWCPEQLM-JLHYYAGUSA-N 1 0 296.436 2.259 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+]C2CCOCC2)C1 ZINC000123713256 649120246 /nfs/dbraw/zinc/12/02/46/649120246.db2.gz FGDWIVQHUZLSDE-GFCCVEGCSA-N 1 0 284.400 2.012 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)C[C@@H]([NH3+])C2CC2)cc1F ZINC000124107599 649397234 /nfs/dbraw/zinc/39/72/34/649397234.db2.gz OJRVNEXQAMSHMQ-QMTHXVAHSA-N 1 0 264.344 2.439 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)C1C2CC3CC(C2)CC1C3 ZINC000127547643 651251892 /nfs/dbraw/zinc/25/18/92/651251892.db2.gz GFRMTCNIRSJCAL-WBSGLHFFSA-N 1 0 276.424 2.302 10 0 CEAERO CC[C@@H](NC(=O)c1ccnc(C[NH3+])c1)c1ccccc1 ZINC000130246342 652232280 /nfs/dbraw/zinc/23/22/80/652232280.db2.gz VYVMRSUEFLHLFI-OAHLLOKOSA-N 1 0 269.348 2.421 10 0 CEAERO CCOc1ccccc1[C@H](C)[NH2+]CC[S@](C)=O ZINC000131423449 652424530 /nfs/dbraw/zinc/42/45/30/652424530.db2.gz QFTCVEPTWBHJNK-APPDUMDISA-N 1 0 255.383 2.114 10 0 CEAERO C[C@@H]([NH2+]CC[S@@](C)=O)c1ccc(Cl)s1 ZINC000133794763 652720107 /nfs/dbraw/zinc/72/01/07/652720107.db2.gz JYCVRWFDGZAVMN-UOWDBTKRSA-N 1 0 251.804 2.431 10 0 CEAERO CCC1CCC([NH2+][C@@H](C)C[C@@H]2COCCN2)CC1 ZINC000133903290 652742992 /nfs/dbraw/zinc/74/29/92/652742992.db2.gz OOKFZPVYIFYHBV-VXGQWTEUSA-N 1 0 254.418 2.312 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]Cc2cc(Cl)ccc2OC)C1 ZINC000134439159 652838982 /nfs/dbraw/zinc/83/89/82/652838982.db2.gz UEVGCCWBCNILEE-AWEZNQCLSA-N 1 0 298.814 2.159 10 0 CEAERO Cc1cc(Br)ccc1C[N+]12CCN(CC1)CC2 ZINC000182054384 717157829 /nfs/dbraw/zinc/15/78/29/717157829.db2.gz NLTYIPZNIQCSPJ-UHFFFAOYSA-N 1 0 296.232 2.404 10 0 CEAERO C[NH+](C)CC1CCN(c2nc(Cl)nc3cc[nH]c32)CC1 ZINC000693043185 721942179 /nfs/dbraw/zinc/94/21/79/721942179.db2.gz ICQXQTGZNXIWSB-UHFFFAOYSA-N 1 0 293.802 2.389 10 0 CEAERO CCc1ccc([C@H]([NH3+])C[S@](=O)CCCOC)cc1 ZINC000081998939 177917157 /nfs/dbraw/zinc/91/71/57/177917157.db2.gz HHYVQRVLLWTHFX-KDOFPFPSSA-N 1 0 269.410 2.034 10 0 CEAERO COc1ccccc1[S@@](=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000082000077 177917733 /nfs/dbraw/zinc/91/77/33/177917733.db2.gz RBKRKQRLOJHFGS-GSDQYQHOSA-N 1 0 253.367 2.073 10 0 CEAERO C[C@@H]1CCC[N@H+](CCCNC(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC000225761938 230399548 /nfs/dbraw/zinc/39/95/48/230399548.db2.gz MAYMFFOCYLJMBV-WOPDTQHZSA-N 1 0 274.355 2.126 10 0 CEAERO C[N@@H+]1CCC[C@H]1CC(=O)N1CCc2ccccc2C1 ZINC000082309237 177954666 /nfs/dbraw/zinc/95/46/66/177954666.db2.gz LPMBUESAPWDQOX-HNNXBMFYSA-N 1 0 258.365 2.056 10 0 CEAERO C[C@@H]1CC(F)(F)CCN1C(=O)C1CCC([NH3+])CC1 ZINC000638630866 370644955 /nfs/dbraw/zinc/64/49/55/370644955.db2.gz OQOOUCNOYROTJL-KPPDAEKUSA-N 1 0 260.328 2.150 10 0 CEAERO C[NH2+]Cc1sc(N2CCC[C@@H](C)C2)nc1COC ZINC000082447199 178025985 /nfs/dbraw/zinc/02/59/85/178025985.db2.gz JOIVTNCXMZNGDJ-SNVBAGLBSA-N 1 0 269.414 2.245 10 0 CEAERO Cc1nc([C@@H]2CCCOC2)[nH+]c(NN)c1C(C)C ZINC000082581005 178119803 /nfs/dbraw/zinc/11/98/03/178119803.db2.gz GWSSKINOAOICRO-SNVBAGLBSA-N 1 0 250.346 2.088 10 0 CEAERO CCN(C)c1cc(Br)ccc1CC[NH3+] ZINC000082611134 178125883 /nfs/dbraw/zinc/12/58/83/178125883.db2.gz CCXGLNBIURVUKA-UHFFFAOYSA-N 1 0 257.175 2.406 10 0 CEAERO C[NH2+]Cc1c(Cl)cccc1SCC(=O)OC ZINC000082616152 178126300 /nfs/dbraw/zinc/12/63/00/178126300.db2.gz MYPFVCAHQMEBFW-UHFFFAOYSA-N 1 0 259.758 2.325 10 0 CEAERO COc1cc(C)c(C(=O)[C@H]2CCCC[NH2+]2)cc1OC ZINC000082622587 178136170 /nfs/dbraw/zinc/13/61/70/178136170.db2.gz ADIITRPDCTYGNP-GFCCVEGCSA-N 1 0 263.337 2.337 10 0 CEAERO C[C@H](Nc1ncc(Br)cn1)[C@@H]1CCC[NH2+]C1 ZINC000082662360 178150742 /nfs/dbraw/zinc/15/07/42/178150742.db2.gz OLAOZZOFWPHBNW-DTWKUNHWSA-N 1 0 285.189 2.039 10 0 CEAERO Cc1ccc(Cl)cc1NC(=O)C1([NH3+])CCOCC1 ZINC000127726282 187329020 /nfs/dbraw/zinc/32/90/20/187329020.db2.gz IXFJLWYFSWBSID-UHFFFAOYSA-N 1 0 268.744 2.095 10 0 CEAERO [NH3+]Cc1cn2cc(Cl)cc(Br)c2n1 ZINC000082694042 178188417 /nfs/dbraw/zinc/18/84/17/178188417.db2.gz ZIWJZWHMGYDGKA-UHFFFAOYSA-N 1 0 260.522 2.209 10 0 CEAERO Cc1nc2c(Br)cccn2c1[C@H](C)[NH3+] ZINC000082695431 178191189 /nfs/dbraw/zinc/19/11/89/178191189.db2.gz JJUKBYHEYGURFO-LURJTMIESA-N 1 0 254.131 2.425 10 0 CEAERO CC[NH+](CC)CCCNC(=O)c1cccc(Cl)c1N ZINC000082698592 178198889 /nfs/dbraw/zinc/19/88/89/178198889.db2.gz ZAOXDVZPAIOMGS-UHFFFAOYSA-N 1 0 283.803 2.384 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000034939135 361798427 /nfs/dbraw/zinc/79/84/27/361798427.db2.gz OPIVTJSOFLQCET-ISVAXAHUSA-N 1 0 261.325 2.380 10 0 CEAERO Cn1cc([C@H]([NH3+])c2ccc(Br)cc2F)cn1 ZINC000034957614 361799698 /nfs/dbraw/zinc/79/96/98/361799698.db2.gz LPYZSTBQXYOIJM-NSHDSACASA-N 1 0 284.132 2.370 10 0 CEAERO Clc1ccc(NCC[NH2+][C@@H]2CN3CCC2CC3)cc1 ZINC000034400079 361788562 /nfs/dbraw/zinc/78/85/62/361788562.db2.gz BFWOBKVXTNMUNK-OAHLLOKOSA-N 1 0 279.815 2.436 10 0 CEAERO C[C@@H]([NH3+])C[C@@H](C)S(=O)(=O)c1cccc(Cl)c1 ZINC000082798596 178302573 /nfs/dbraw/zinc/30/25/73/178302573.db2.gz MKMJWKLQGSDGNN-RKDXNWHRSA-N 1 0 261.774 2.240 10 0 CEAERO CC[C@@](C)(O)C[NH+]1CCN(c2cc(F)ccc2F)CC1 ZINC000123640436 365639735 /nfs/dbraw/zinc/63/97/35/365639735.db2.gz IZVDLDMLROAHSS-OAHLLOKOSA-N 1 0 284.350 2.248 10 0 CEAERO [NH3+][C@@H](CCO)CSc1ccccc1Br ZINC000082988885 178332295 /nfs/dbraw/zinc/33/22/95/178332295.db2.gz AZNXOZQMBGCQRT-QMMMGPOBSA-N 1 0 276.199 2.251 10 0 CEAERO CCCC[C@H](CCC)CNC(=O)NC[C@H]1CN(C)CCO1 ZINC000124917329 365663159 /nfs/dbraw/zinc/66/31/59/365663159.db2.gz VDFJEYFXVUVVOO-GJZGRUSLSA-N 1 0 299.459 2.223 10 0 CEAERO [NH3+][C@H](CO)CCSc1ccccc1Br ZINC000082904658 178329337 /nfs/dbraw/zinc/32/93/37/178329337.db2.gz RFVANFNNHIFDJD-QMMMGPOBSA-N 1 0 276.199 2.251 10 0 CEAERO C[C@@H](C[C@](C)([NH3+])CO)Sc1ccc(Cl)cn1 ZINC000082905427 178329621 /nfs/dbraw/zinc/32/96/21/178329621.db2.gz LMSRCSWHHRBVJO-KWQFWETISA-N 1 0 260.790 2.315 10 0 CEAERO CC(C)CCN(C[C@@](CO)([NH2+]C1CC1)C1CC1)C1CC1 ZINC000096837011 185116718 /nfs/dbraw/zinc/11/67/18/185116718.db2.gz CIXQUSAHDHLWHV-KRWDZBQOSA-N 1 0 280.456 2.390 10 0 CEAERO CC[C@H]([NH3+])[C@H](O)c1ccc(Br)cc1F ZINC000036779252 361856357 /nfs/dbraw/zinc/85/63/57/361856357.db2.gz MBVCZYYNKRJSCG-VHSXEESVSA-N 1 0 262.122 2.359 10 0 CEAERO CC(C)(C)OC(=O)N1CCSCC12CC[NH2+]CC2 ZINC000096944296 185134716 /nfs/dbraw/zinc/13/47/16/185134716.db2.gz KFSUVJJBUHJESB-UHFFFAOYSA-N 1 0 272.414 2.093 10 0 CEAERO N[C@@H]([C@H]1CC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000096951046 185140066 /nfs/dbraw/zinc/14/00/66/185140066.db2.gz BGABOZASOBRRCL-RYUDHWBXSA-N 1 0 258.287 2.398 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@H]2[NH2+]CCC[C@H]2CC1 ZINC000096958460 185141365 /nfs/dbraw/zinc/14/13/65/185141365.db2.gz UZGIGGQFEUWWNK-NWDGAFQWSA-N 1 0 254.374 2.386 10 0 CEAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+]CC12CCCC2 ZINC000096958480 185141381 /nfs/dbraw/zinc/14/13/81/185141381.db2.gz BLNUOFJIYZEIEL-LLVKDONJSA-N 1 0 254.374 2.433 10 0 CEAERO CC(C)(C)OC(=O)NC[C@@H]1CCC2(CC2)[C@H]([NH3+])C1 ZINC000096958506 185141764 /nfs/dbraw/zinc/14/17/64/185141764.db2.gz FRFKAUJXCKDLFJ-GHMZBOCLSA-N 1 0 254.374 2.419 10 0 CEAERO CC(C)C[NH2+]C[C@H](O)CO[C@@H](C)c1ccccc1 ZINC000037852111 361955103 /nfs/dbraw/zinc/95/51/03/361955103.db2.gz JAPUDWDLLBJQGJ-ZFWWWQNUSA-N 1 0 251.370 2.371 10 0 CEAERO CCn1c2ccccc2cc(C[NH2+]CCCOC)c1=O ZINC000039287566 361987722 /nfs/dbraw/zinc/98/77/22/361987722.db2.gz VJMFBFGESHVFPB-UHFFFAOYSA-N 1 0 274.364 2.148 10 0 CEAERO COc1ccc2c(c1)cc(C[NH2+]C(C)C)c(=O)n2C ZINC000039288560 361987918 /nfs/dbraw/zinc/98/79/18/361987918.db2.gz IJWWCOMZXFAKTP-UHFFFAOYSA-N 1 0 260.337 2.045 10 0 CEAERO [NH3+]C[C@@H](NC(=O)c1cscc1C(F)(F)F)C1CC1 ZINC000621623684 349646803 /nfs/dbraw/zinc/64/68/03/349646803.db2.gz JNQFKODXXIFAFD-SECBINFHSA-N 1 0 278.299 2.234 10 0 CEAERO [NH3+][C@H]1C[C@]12CNc1c2cc(Cl)cc1Br ZINC000725247599 539192296 /nfs/dbraw/zinc/19/22/96/539192296.db2.gz RTGMZZRVFJYVHT-WCBMZHEXSA-N 1 0 273.561 2.497 10 0 CEAERO [NH3+][C@@H](CNC(=O)NC1CCCC1)C1CCCCC1 ZINC000725254918 539200635 /nfs/dbraw/zinc/20/06/35/539200635.db2.gz JUJSWDNOOJZPRI-ZDUSSCGKSA-N 1 0 253.390 2.136 10 0 CEAERO CC(C)CC(=O)N1CC[C@@H]([NH3+])[C@H](C(F)(F)F)CC1 ZINC000725262958 539211846 /nfs/dbraw/zinc/21/18/46/539211846.db2.gz XUKVIBFASJYHMA-NXEZZACHSA-N 1 0 266.307 2.161 10 0 CEAERO CC(C)(C)OC(=O)C[C@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000725263646 539212200 /nfs/dbraw/zinc/21/22/00/539212200.db2.gz YIWGHNNFNITTGY-CYBMUJFWSA-N 1 0 277.364 2.396 10 0 CEAERO CC(C)[C@@H](C)NC(=O)N[C@H]1CCCC12CC[NH2+]CC2 ZINC000725264118 539212723 /nfs/dbraw/zinc/21/27/23/539212723.db2.gz KEJSDJRQRSYSTE-OLZOCXBDSA-N 1 0 267.417 2.252 10 0 CEAERO C[C@@H](c1cnn(CC2CCC2)c1)N1CC[NH2+][C@H](C)C1 ZINC000725264405 539212839 /nfs/dbraw/zinc/21/28/39/539212839.db2.gz LVCXTEAHTHFEDP-OLZOCXBDSA-N 1 0 262.401 2.038 10 0 CEAERO C[C@@H](c1cnn(CC2CCC2)c1)[NH+]1CCC(CO)CC1 ZINC000725264527 539213154 /nfs/dbraw/zinc/21/31/54/539213154.db2.gz TZFMXTWTAAWNRN-ZDUSSCGKSA-N 1 0 277.412 2.449 10 0 CEAERO Fc1ccc(-c2cnnn2[C@H]2CCC[NH2+]CC2)cc1 ZINC000725266084 539213447 /nfs/dbraw/zinc/21/34/47/539213447.db2.gz KYPMDKNPGWVBHW-ZDUSSCGKSA-N 1 0 260.316 2.399 10 0 CEAERO Cn1cc(C[NH2+][C@H]2CCC[C@@H](O)C2)c(C(C)(C)C)n1 ZINC000126531151 539231505 /nfs/dbraw/zinc/23/15/05/539231505.db2.gz QXNATAFKSNWQSI-QWHCGFSZSA-N 1 0 265.401 2.111 10 0 CEAERO CC[C@H]([NH2+]C[C@@H]1CN(CC)CCO1)[C@@H]1CC1(C)C ZINC000397815617 539244241 /nfs/dbraw/zinc/24/42/41/539244241.db2.gz JODGYMJJYCAYBL-RDBSUJKOSA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCC[C@H]1CCOC1 ZINC000401115835 539252513 /nfs/dbraw/zinc/25/25/13/539252513.db2.gz JKEJGUOAUOUPLP-XHSDSOJGSA-N 1 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278.377 2.178 10 0 CEAERO COC(=O)c1cc(NC(=O)[C@H]([NH3+])CC(C)C)ccc1Cl ZINC000037006034 343424864 /nfs/dbraw/zinc/42/48/64/343424864.db2.gz RUQMMBAUQBDLIF-GFCCVEGCSA-N 1 0 298.770 2.439 10 0 CEAERO O[C@H]1CCC[C@@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)C1 ZINC000037166302 343426151 /nfs/dbraw/zinc/42/61/51/343426151.db2.gz GZKLEJQLADTNFI-SJORKVTESA-N 1 0 285.391 2.325 10 0 CEAERO Cn1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000037560892 343427813 /nfs/dbraw/zinc/42/78/13/343427813.db2.gz FUMJAZGDQSPJGB-CQSZACIVSA-N 1 0 256.353 2.107 10 0 CEAERO C[NH2+]CCCC(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000037611464 343429047 /nfs/dbraw/zinc/42/90/47/343429047.db2.gz JCFRNQZQIYXAGX-VHSXEESVSA-N 1 0 266.307 2.223 10 0 CEAERO COCCCOc1cc(C[NH2+]C2CC2)ccc1OC ZINC000037753460 343430494 /nfs/dbraw/zinc/43/04/94/343430494.db2.gz ONESTSIWMJFMLP-UHFFFAOYSA-N 1 0 265.353 2.363 10 0 CEAERO Cc1cccc(NCC[NH2+][C@H]2CN3CCC2CC3)c1 ZINC000039043627 343435487 /nfs/dbraw/zinc/43/54/87/343435487.db2.gz NBGQPOCSQPKDDI-INIZCTEOSA-N 1 0 259.397 2.091 10 0 CEAERO Brc1cccnc1NCC1CC[NH2+]CC1 ZINC000044509242 343473302 /nfs/dbraw/zinc/47/33/02/343473302.db2.gz ATCAIGXXCOZFGT-UHFFFAOYSA-N 1 0 270.174 2.256 10 0 CEAERO O[C@H](C[NH2+]C[C@@H]1CC=CCC1)COCc1ccco1 ZINC000045630318 343486323 /nfs/dbraw/zinc/48/63/23/343486323.db2.gz KYJUMSQGEWZNDR-ZIAGYGMSSA-N 1 0 265.353 2.103 10 0 CEAERO C[C@@H]1C[N@H+](Cc2ccccc2N2CCOCC2)CCS1 ZINC000131406071 136388989 /nfs/dbraw/zinc/38/89/89/136388989.db2.gz MHBAHTDGNPGXEG-CQSZACIVSA-N 1 0 292.448 2.461 10 0 CEAERO C[C@@H](CNC(=O)C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000054308860 343587157 /nfs/dbraw/zinc/58/71/57/343587157.db2.gz RDKZBSIEVNXPLC-UONOGXRCSA-N 1 0 260.381 2.296 10 0 CEAERO COC(=O)C[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000057567211 343632890 /nfs/dbraw/zinc/63/28/90/343632890.db2.gz FVAZUAIJCSWSTJ-VIFPVBQESA-N 1 0 272.142 2.055 10 0 CEAERO CC(C)[C@H](C[NH3+])NC(=O)c1ccc(Br)s1 ZINC000083567737 178582158 /nfs/dbraw/zinc/58/21/58/178582158.db2.gz KELXBRZKMBVVSJ-ZETCQYMHSA-N 1 0 291.214 2.224 10 0 CEAERO CC[C@H]1CN(c2nc(C(F)(F)F)ns2)CC[C@@H]1[NH3+] ZINC000228792320 539358475 /nfs/dbraw/zinc/35/84/75/539358475.db2.gz YXXXAOLUKPGERB-BQBZGAKWSA-N 1 0 280.319 2.121 10 0 CEAERO Cc1nn2c(CN3C[C@@H](C)[C@@H]([NH3+])C3)c(C(C)C)nc2s1 ZINC000262068715 282305964 /nfs/dbraw/zinc/30/59/64/282305964.db2.gz RVLZEOIQGNSRHG-KOLCDFICSA-N 1 0 293.440 2.002 10 0 CEAERO Cc1cccc(NC(=O)C[N@@H+](C)[C@H]2CCC[C@@H]2O)c1C ZINC000078480590 343954402 /nfs/dbraw/zinc/95/44/02/343954402.db2.gz AXRUMOXDWMVXTB-GJZGRUSLSA-N 1 0 276.380 2.087 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CCC[N@H+](C)C2)o1 ZINC000108542604 344265801 /nfs/dbraw/zinc/26/58/01/344265801.db2.gz YZJWVBHWHQFCMJ-STQMWFEESA-N 1 0 279.384 2.290 10 0 CEAERO O=C1CCCN1CC[NH2+][C@H]1CCCC[C@H]1C(F)(F)F ZINC000132413960 344363124 /nfs/dbraw/zinc/36/31/24/344363124.db2.gz RKOIISUZCSKKLR-MNOVXSKESA-N 1 0 278.318 2.320 10 0 CEAERO CC(C)CNC(=[NH2+])c1ccc(Br)cn1 ZINC000133377829 344368522 /nfs/dbraw/zinc/36/85/22/344368522.db2.gz CICHCWWFLWRIAR-UHFFFAOYSA-N 1 0 256.147 2.415 10 0 CEAERO N[C@H]1CNc2ccc(Br)cc2C1(F)F ZINC000137477410 344387999 /nfs/dbraw/zinc/38/79/99/344387999.db2.gz JJBFXHRYYDNURP-QMMMGPOBSA-N 1 0 263.085 2.294 10 0 CEAERO COc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2CO)n1 ZINC000143654733 344406423 /nfs/dbraw/zinc/40/64/23/344406423.db2.gz JCIYXQUNIYISDV-HZPDHXFCSA-N 1 0 298.386 2.298 10 0 CEAERO OCCC1CC[NH+](CCOCCc2ccccc2)CC1 ZINC000147953417 344412877 /nfs/dbraw/zinc/41/28/77/344412877.db2.gz ZXHFKEQIMHSTSP-UHFFFAOYSA-N 1 0 277.408 2.340 10 0 CEAERO C[C@H]1CN(C(=O)CC[C@H]([NH3+])c2ccccc2)CCS1 ZINC000155682493 344439310 /nfs/dbraw/zinc/43/93/10/344439310.db2.gz ODHHBKFNHOZNTC-JSGCOSHPSA-N 1 0 278.421 2.431 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@]2(C1)[NH2+]CCCS2 ZINC000159147865 344453872 /nfs/dbraw/zinc/45/38/72/344453872.db2.gz XCVZLNOUNYZIFG-ZDUSSCGKSA-N 1 0 272.414 2.440 10 0 CEAERO C[C@H](CNc1nnc(Br)s1)[NH+]1CCCC1 ZINC000161427314 344464135 /nfs/dbraw/zinc/46/41/35/344464135.db2.gz DVHNHCCUFPGFSF-SSDOTTSWSA-N 1 0 291.218 2.197 10 0 CEAERO CC(C)([NH3+])CNc1nc(Br)cs1 ZINC000168403255 344480276 /nfs/dbraw/zinc/48/02/76/344480276.db2.gz YPZLRVVVKOMLLP-UHFFFAOYSA-N 1 0 250.165 2.055 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)NCCCC2CCCC2)C1 ZINC000170830233 344491089 /nfs/dbraw/zinc/49/10/89/344491089.db2.gz QAPNNAGYUFBYOS-AWEZNQCLSA-N 1 0 267.417 2.302 10 0 CEAERO COc1ccc2nc(C(=O)N3CC[C@H]([NH+](C)C)C3)ccc2c1 ZINC000170856872 344491670 /nfs/dbraw/zinc/49/16/70/344491670.db2.gz GDPZUMROCJDHED-ZDUSSCGKSA-N 1 0 299.374 2.020 10 0 CEAERO COc1ccc(C)cc1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000171069874 344495162 /nfs/dbraw/zinc/49/51/62/344495162.db2.gz QYOHXHLHZCYECQ-GFCCVEGCSA-N 1 0 277.368 2.171 10 0 CEAERO C[C@H]1CCC[C@](C[NH2+][C@@H]2CCCC[C@H]2O)(N(C)C)C1 ZINC000226227021 344548598 /nfs/dbraw/zinc/54/85/98/344548598.db2.gz CLXKXEXOWISDTA-JJXSEGSLSA-N 1 0 268.445 2.390 10 0 CEAERO O=C(c1sccc1Br)[C@H]1CC[NH2+]C1 ZINC000226329603 344549219 /nfs/dbraw/zinc/54/92/19/344549219.db2.gz QYFQJAOCMFWDJB-LURJTMIESA-N 1 0 260.156 2.303 10 0 CEAERO CCCCOC[C@H](O)C[NH2+]C[C@H]1CCCCS1 ZINC000227894585 344557543 /nfs/dbraw/zinc/55/75/43/344557543.db2.gz OJAUKWMGESHBQH-CHWSQXEVSA-N 1 0 261.431 2.039 10 0 CEAERO C[C@@H]([NH3+])C[C@H](C)Nc1nc(C(F)(F)F)ns1 ZINC000228812038 344563685 /nfs/dbraw/zinc/56/36/85/344563685.db2.gz VLLJXWWILTYIJO-UHNVWZDZSA-N 1 0 254.281 2.095 10 0 CEAERO OCC1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000050104675 362400648 /nfs/dbraw/zinc/40/06/48/362400648.db2.gz SCTKTXJQHOLQJL-UHFFFAOYSA-N 1 0 256.349 2.439 10 0 CEAERO CS[C@@H]1CCC[C@@H](NC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000235148333 344589665 /nfs/dbraw/zinc/58/96/65/344589665.db2.gz CFTZSGWFKCVUCZ-YNEHKIRRSA-N 1 0 270.442 2.167 10 0 CEAERO C[C@@H]1CN(C(=O)c2cc3sccc3s2)C[C@H]1[NH3+] ZINC000235375085 344590833 /nfs/dbraw/zinc/59/08/33/344590833.db2.gz DGUSUZMPWIZIPZ-HTQZYQBOSA-N 1 0 266.391 2.382 10 0 CEAERO C[C@H]1CN(Cc2ncc(-c3ccc(F)cc3)o2)C[C@@H]1[NH3+] ZINC000235732380 344592439 /nfs/dbraw/zinc/59/24/39/344592439.db2.gz MYIFIZWQJCBEIF-GWCFXTLKSA-N 1 0 275.327 2.260 10 0 CEAERO [NH3+]Cc1nc(-c2ccc(I)cc2)c[nH]1 ZINC000236273455 344594552 /nfs/dbraw/zinc/59/45/52/344594552.db2.gz MPTRQVCWMWHNQU-UHFFFAOYSA-N 1 0 299.115 2.140 10 0 CEAERO O[C@H](C[NH2+]C[C@H]1CCC2(CCCCC2)O1)C(F)(F)F ZINC000236545666 344596121 /nfs/dbraw/zinc/59/61/21/344596121.db2.gz ZWCJUVDJKXKNSA-GHMZBOCLSA-N 1 0 281.318 2.381 10 0 CEAERO FC(F)(F)Oc1ccc(CO[C@H]2CC[NH2+]C2)cc1 ZINC000051782080 362436958 /nfs/dbraw/zinc/43/69/58/362436958.db2.gz LIKGEUCAHWRFRN-NSHDSACASA-N 1 0 261.243 2.464 10 0 CEAERO Cc1ccc2c(CC(=O)N3CCC[C@@H]3C[NH3+])coc2c1 ZINC000237870657 344604633 /nfs/dbraw/zinc/60/46/33/344604633.db2.gz QYFWDEVTHRKLIT-CYBMUJFWSA-N 1 0 272.348 2.233 10 0 CEAERO C[NH2+][C@@H]1CCCN(c2ncccc2Br)C1 ZINC000053204666 362487899 /nfs/dbraw/zinc/48/78/99/362487899.db2.gz PSZRCXSYKYWEJN-SECBINFHSA-N 1 0 270.174 2.032 10 0 CEAERO CCO[C@H](CCNC(=O)[C@H]1CC[C@H]([NH3+])C1)C1CCCC1 ZINC000262610622 344654936 /nfs/dbraw/zinc/65/49/36/344654936.db2.gz CZIQDFOJIKDVCI-SOUVJXGZSA-N 1 0 282.428 2.215 10 0 CEAERO CCS[C@@H]1CCC[C@H](NC(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000262616464 344654992 /nfs/dbraw/zinc/65/49/92/344654992.db2.gz GOZSRJLMVHMXTP-MROQNXINSA-N 1 0 270.442 2.294 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC=C(C)C ZINC000250401137 344633176 /nfs/dbraw/zinc/63/31/76/344633176.db2.gz LTXDGZNLZOLXRP-KBPBESRZSA-N 1 0 265.401 2.221 10 0 CEAERO C[C@@H]1CCCC[C@@H]1CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000252110524 344638521 /nfs/dbraw/zinc/63/85/21/344638521.db2.gz HSAFKODWMLXJRT-MGPQQGTHSA-N 1 0 252.402 2.319 10 0 CEAERO C[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@@]12[NH2+]CCS2 ZINC000307172536 344720575 /nfs/dbraw/zinc/72/05/75/344720575.db2.gz NBBKJAHXCGYEGH-GWCFXTLKSA-N 1 0 272.414 2.439 10 0 CEAERO C[C@H]1C[NH2+]CC[C@@H]1Nc1cnn(Cc2ccccc2)c1 ZINC000307362743 344722008 /nfs/dbraw/zinc/72/20/08/344722008.db2.gz JEVSSFRRNIDMQK-BBRMVZONSA-N 1 0 270.380 2.341 10 0 CEAERO CCC[C@@H]1C[C@@H]1NC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000300407757 344699547 /nfs/dbraw/zinc/69/95/47/344699547.db2.gz UHEKDEAUBOUZRT-SNPRPXQTSA-N 1 0 258.365 2.178 10 0 CEAERO CS[C@@H]1CCC[C@H](NC(=O)C[C@H]([NH3+])C(C)C)C1 ZINC000300423723 344700057 /nfs/dbraw/zinc/70/00/57/344700057.db2.gz KFVHMGWGZHPTAN-TUAOUCFPSA-N 1 0 258.431 2.150 10 0 CEAERO C[C@@H](C[NH3+])Nc1cccc(F)c1I ZINC000301003576 344702037 /nfs/dbraw/zinc/70/20/37/344702037.db2.gz YLUITNFHRRHNCH-LURJTMIESA-N 1 0 294.111 2.189 10 0 CEAERO C[C@H](NC(N)=[NH2+])c1ccc(F)c(Br)c1 ZINC000306585665 344715052 /nfs/dbraw/zinc/71/50/52/344715052.db2.gz QUIDZCNJAJVVOP-YFKPBYRVSA-N 1 0 260.110 2.132 10 0 CEAERO COC(=O)c1ccc(C[NH2+]C[C@@H](O)C(C)(C)C)cc1F ZINC000324509098 344754212 /nfs/dbraw/zinc/75/42/12/344754212.db2.gz MKHJVUICCRVVAY-CYBMUJFWSA-N 1 0 283.343 2.109 10 0 CEAERO [NH3+][C@@H](c1occc1Br)C1CCOCC1 ZINC000083719433 178722882 /nfs/dbraw/zinc/72/28/82/178722882.db2.gz WWHVLVHYCHWPMD-SECBINFHSA-N 1 0 260.131 2.469 10 0 CEAERO C[C@H]1C[NH+](CC2(CC(N)=S)CC2)C[C@H](C)S1 ZINC000083855346 178754062 /nfs/dbraw/zinc/75/40/62/178754062.db2.gz FALUPQCOEGIRCD-UWVGGRQHSA-N 1 0 258.456 2.269 10 0 CEAERO CC[C@H]1CCC[C@@H]([NH2+]C2CCN(CCO)CC2)C1 ZINC000399191813 344856811 /nfs/dbraw/zinc/85/68/11/344856811.db2.gz QEYLJEIHHZCBMA-DZGCQCFKSA-N 1 0 254.418 2.002 10 0 CEAERO COC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403062684 344874299 /nfs/dbraw/zinc/87/42/99/344874299.db2.gz CRAWWRKAMWMTRM-XJFOESAGSA-N 1 0 251.370 2.308 10 0 CEAERO CC(=O)Nc1ccc(SC[C@@H]([NH3+])C2CC2)cc1 ZINC000083960232 178766603 /nfs/dbraw/zinc/76/66/03/178766603.db2.gz OVWGMWSBVCKXMY-CYBMUJFWSA-N 1 0 250.367 2.474 10 0 CEAERO Cc1cc(C)c(C[N@@H+]2CC[C@@H]3OCCN[C@@H]3C2)c(C)c1 ZINC000404118370 344878414 /nfs/dbraw/zinc/87/84/14/344878414.db2.gz LXAOPEKLHYNWMC-SJORKVTESA-N 1 0 274.408 2.175 10 0 CEAERO CC[NH2+]CCC[S@](=O)c1ccc2c(c1)CCC2 ZINC000084031085 178773433 /nfs/dbraw/zinc/77/34/33/178773433.db2.gz SJRAMNUMBXZGGX-QGZVFWFLSA-N 1 0 251.395 2.283 10 0 CEAERO C[NH2+][C@@H](C[S@](=O)c1ccc(C)c(C)c1)C1CC1 ZINC000083997787 178769292 /nfs/dbraw/zinc/76/92/92/178769292.db2.gz QMBSWUFFXOJHBZ-WMLDXEAASA-N 1 0 251.395 2.409 10 0 CEAERO COc1cccc([S@](=O)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000084003368 178769813 /nfs/dbraw/zinc/76/98/13/178769813.db2.gz APJWWZBZHIMCOP-GDZNZVCISA-N 1 0 253.367 2.073 10 0 CEAERO CC[C@H](C)[S@](=O)Cc1cc(C[NH3+])ccc1OC ZINC000084005345 178770103 /nfs/dbraw/zinc/77/01/03/178770103.db2.gz FJGQVATXMBAEQY-BTDLBPIBSA-N 1 0 255.383 2.201 10 0 CEAERO CCC[NH2+][C@@H](C)CCC[S@@](=O)C1CCOCC1 ZINC000084054911 178779348 /nfs/dbraw/zinc/77/93/48/178779348.db2.gz RPYZOXCJXRIFBD-SJCJKPOMSA-N 1 0 261.431 2.082 10 0 CEAERO COC(=O)c1ccc(N2CC[C@H]([NH+]3CCCC3)C2)cc1F ZINC000584598297 344961771 /nfs/dbraw/zinc/96/17/71/344961771.db2.gz XHPMRAPTZHWBJT-ZDUSSCGKSA-N 1 0 292.354 2.287 10 0 CEAERO OCC[NH2+]CCn1c(C(F)(F)F)cc2ccccc21 ZINC000584602966 344963089 /nfs/dbraw/zinc/96/30/89/344963089.db2.gz HIUIKAKSVUBRAM-UHFFFAOYSA-N 1 0 272.270 2.242 10 0 CEAERO CC[C@@H]1CC[C@@H](CCN2CCOCC2)[N@H+](CC)C1 ZINC000584607200 344964224 /nfs/dbraw/zinc/96/42/24/344964224.db2.gz OVDGZSCMQRZMTA-CABCVRRESA-N 1 0 254.418 2.219 10 0 CEAERO Clc1c[nH]c2nccc(N[C@@H]3CCC[NH2+]C3)c12 ZINC000584620055 344967409 /nfs/dbraw/zinc/96/74/09/344967409.db2.gz BSYAQFJWCCUBBO-MRVPVSSYSA-N 1 0 250.733 2.380 10 0 CEAERO O[C@@H](C[NH2+]C1CCCC1)[C@@H]1CCc2ccccc2O1 ZINC000584626504 344968283 /nfs/dbraw/zinc/96/82/83/344968283.db2.gz OUWPAYZEXUXLSD-HOCLYGCPSA-N 1 0 261.365 2.273 10 0 CEAERO CCOC(=O)[C@H](Cc1ccccc1)[C@]1(C)[NH2+]CCS1 ZINC000584630393 344969389 /nfs/dbraw/zinc/96/93/89/344969389.db2.gz UISQDOCJMXYKTH-DZGCQCFKSA-N 1 0 279.405 2.461 10 0 CEAERO [NH3+]Cc1cc(N2CCC(C(F)(F)F)CC2)c(F)cn1 ZINC000584630114 344969515 /nfs/dbraw/zinc/96/95/15/344969515.db2.gz WQLYKZDRVLBCGG-UHFFFAOYSA-N 1 0 277.265 2.458 10 0 CEAERO CCOc1ccc([C@@H]([NH3+])CC(=O)OC(C)(C)C)cn1 ZINC000584633888 344970597 /nfs/dbraw/zinc/97/05/97/344970597.db2.gz RJIPVLAESROREV-NSHDSACASA-N 1 0 266.341 2.212 10 0 CEAERO CC(C)n1nccc1NC(=O)CC1([NH3+])CCCC1 ZINC000084162233 178810890 /nfs/dbraw/zinc/81/08/90/178810890.db2.gz UACGNSYRACDIBY-UHFFFAOYSA-N 1 0 250.346 2.064 10 0 CEAERO C[NH2+][C@H](C)C(=O)N[C@H](C)Cc1ccc(Br)cc1 ZINC000054073643 362509190 /nfs/dbraw/zinc/50/91/90/362509190.db2.gz XDMDTSYUKOECKM-NXEZZACHSA-N 1 0 299.212 2.104 10 0 CEAERO C[NH2+][C@H](C)C(=O)N(C)[C@@H](C)c1cc(F)ccc1F ZINC000054075043 362510456 /nfs/dbraw/zinc/51/04/56/362510456.db2.gz ZYWWGIAAMWYYJP-BDAKNGLRSA-N 1 0 256.296 2.092 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1cccc(-n2ccnc2)c1 ZINC000054306534 362525282 /nfs/dbraw/zinc/52/52/82/362525282.db2.gz SDNIIQVRRLBYJE-CYBMUJFWSA-N 1 0 284.363 2.201 10 0 CEAERO OC1(C[NH2+]Cc2nccn2C(F)F)CCCCC1 ZINC000084224824 178827991 /nfs/dbraw/zinc/82/79/91/178827991.db2.gz VVHJXWQYWHFYNE-UHFFFAOYSA-N 1 0 259.300 2.063 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1Oc1ncccc1Br ZINC000084241215 178831093 /nfs/dbraw/zinc/83/10/93/178831093.db2.gz ZOYWAUDJFPBEMI-WPRPVWTQSA-N 1 0 271.158 2.350 10 0 CEAERO C[C@@H](CC[NH3+])S(=O)(=O)c1ccc2ccccc2c1 ZINC000084270629 178837788 /nfs/dbraw/zinc/83/77/88/178837788.db2.gz BTNPCLFXSKLLFK-NSHDSACASA-N 1 0 263.362 2.351 10 0 CEAERO CC[NH2+][C@H](Cc1ccsc1)C[C@@H]1CCS(=O)(=O)C1 ZINC000097060529 185519715 /nfs/dbraw/zinc/51/97/15/185519715.db2.gz FMOXAYDZTQRNCZ-QWHCGFSZSA-N 1 0 287.450 2.094 10 0 CEAERO [NH3+][C@H](CC1CCOCC1)[C@H]1OCCc2ccccc21 ZINC000097066585 185520062 /nfs/dbraw/zinc/52/00/62/185520062.db2.gz XXHUFEDOVLGUIN-CVEARBPZSA-N 1 0 261.365 2.444 10 0 CEAERO Cc1ccccc1CS(=O)(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000084272282 178838866 /nfs/dbraw/zinc/83/88/66/178838866.db2.gz NAFCGFABHMJYIX-OCCSQVGLSA-N 1 0 267.394 2.037 10 0 CEAERO COC(=O)c1cc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)ccc1Cl ZINC000097093566 185528718 /nfs/dbraw/zinc/52/87/18/185528718.db2.gz FRXSXIOYWJCXEY-RKDXNWHRSA-N 1 0 296.754 2.193 10 0 CEAERO C(C1CCSCC1)[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000229409344 539467173 /nfs/dbraw/zinc/46/71/73/539467173.db2.gz XRJKPVGAHLRDTG-CQSZACIVSA-N 1 0 254.443 2.300 10 0 CEAERO CN(C[C@](C)(O)c1ccccc1)CC1([NH+](C)C)CCC1 ZINC000097929821 232188553 /nfs/dbraw/zinc/18/85/53/232188553.db2.gz YACLTTYMKYDBGT-INIZCTEOSA-N 1 0 276.424 2.310 10 0 CEAERO C[NH2+][C@@H](C)C[C@@H](C)S(=O)(=O)c1ccc(C)cc1C ZINC000084356525 178867530 /nfs/dbraw/zinc/86/75/30/178867530.db2.gz NPIFHORVTJYKNB-QWHCGFSZSA-N 1 0 269.410 2.464 10 0 CEAERO CCCc1ccc([C@H]([NH3+])C[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000097129201 185542192 /nfs/dbraw/zinc/54/21/92/185542192.db2.gz HDBLZBKBMVIDAJ-DZGCQCFKSA-N 1 0 281.421 2.464 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cccc2cc[nH]c21 ZINC000229584389 539472451 /nfs/dbraw/zinc/47/24/51/539472451.db2.gz IDHZXHIAPVZMGD-GXFFZTMASA-N 1 0 257.337 2.038 10 0 CEAERO CC[NH2+][C@@H]1CC[C@H](S(=O)(=O)c2ccc3c(c2)CCC3)C1 ZINC000084433367 178887800 /nfs/dbraw/zinc/88/78/00/178887800.db2.gz CNVZQTICDRUZIM-ZBFHGGJFSA-N 1 0 293.432 2.480 10 0 CEAERO C[NH2+][C@H](C)C[C@@H](C)Oc1cc(OC)cc(OC)c1 ZINC000084396241 178881128 /nfs/dbraw/zinc/88/11/28/178881128.db2.gz SCOFNGYHFZNALX-GHMZBOCLSA-N 1 0 253.342 2.469 10 0 CEAERO [NH3+]C[C@@H](O)c1ccc(Cl)c(Br)c1 ZINC000084586271 178901129 /nfs/dbraw/zinc/90/11/29/178901129.db2.gz IGJHURUKSMMXCF-MRVPVSSYSA-N 1 0 250.523 2.095 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH2+]C)c1cccc(N(C)C)c1 ZINC000097217781 185567229 /nfs/dbraw/zinc/56/72/29/185567229.db2.gz FARKUUXPQHXFRQ-OAHLLOKOSA-N 1 0 298.452 2.228 10 0 CEAERO CCCc1nnsc1[C@H](Cc1nccs1)[NH2+]C ZINC000097313799 185585389 /nfs/dbraw/zinc/58/53/89/185585389.db2.gz BMZCKAUQVWULID-VIFPVBQESA-N 1 0 268.411 2.450 10 0 CEAERO Nc1ncccc1C[C@@H]([NH3+])CSc1ccc(F)cc1 ZINC000097329903 185586095 /nfs/dbraw/zinc/58/60/95/185586095.db2.gz DQTOSLTXKJRHGA-GFCCVEGCSA-N 1 0 277.368 2.465 10 0 CEAERO [NH3+][C@@H](CCc1cccnc1)[C@H]1CCc2cccnc21 ZINC000097305766 185582545 /nfs/dbraw/zinc/58/25/45/185582545.db2.gz LKWIOOCZQKOYGM-CABCVRRESA-N 1 0 253.349 2.467 10 0 CEAERO CCOc1cccc(NC(=O)c2c[nH+]ccc2N)c1 ZINC000127486615 187310222 /nfs/dbraw/zinc/31/02/22/187310222.db2.gz KAPKOXATTGLSQZ-UHFFFAOYSA-N 1 0 257.293 2.315 10 0 CEAERO Cc1nc([C@H]([NH3+])Cc2cn3ccsc3n2)cs1 ZINC000097349847 185587973 /nfs/dbraw/zinc/58/79/73/185587973.db2.gz OGLOWRABRPTCFR-SECBINFHSA-N 1 0 264.379 2.403 10 0 CEAERO C[C@@H]1CC[C@@H](NC(=O)C2CCC([NH3+])CC2)C[C@@H]1C ZINC000085058997 178944888 /nfs/dbraw/zinc/94/48/88/178944888.db2.gz UASFPRBPOMURBF-XPXVYLNCSA-N 1 0 252.402 2.445 10 0 CEAERO COC(=O)C[C@](C)(C[NH3+])c1ccccc1C(F)(F)F ZINC000097430558 185601968 /nfs/dbraw/zinc/60/19/68/185601968.db2.gz CUFRKYVJADSQPU-GFCCVEGCSA-N 1 0 275.270 2.485 10 0 CEAERO C[NH2+]C[C@](C)(O)Cc1ccc(F)c(Br)c1 ZINC000085075440 178947850 /nfs/dbraw/zinc/94/78/50/178947850.db2.gz DKIPYHKUNITNOU-LLVKDONJSA-N 1 0 276.149 2.101 10 0 CEAERO CC[NH2+][C@@H](COC(C)(C)C)c1c(OC)cnn1CC ZINC000097449596 185606633 /nfs/dbraw/zinc/60/66/33/185606633.db2.gz RIMRLXUIJRYVBE-NSHDSACASA-N 1 0 269.389 2.377 10 0 CEAERO CCCn1ncc(OC)c1[C@@H]([NH3+])c1cncc(C)c1 ZINC000097450995 185608102 /nfs/dbraw/zinc/60/81/02/185608102.db2.gz PBNMGYGTOLLOSD-ZDUSSCGKSA-N 1 0 260.341 2.053 10 0 CEAERO CN(C)c1nnc(SCc2cc(F)ccc2C[NH3+])s1 ZINC000085148800 178959323 /nfs/dbraw/zinc/95/93/23/178959323.db2.gz PWVWJJYDTSMXSD-UHFFFAOYSA-N 1 0 298.412 2.494 10 0 CEAERO CC[C@@H](C[NH2+]CCOC)Cc1ccn(C(C)C)n1 ZINC000085170961 178961631 /nfs/dbraw/zinc/96/16/31/178961631.db2.gz VIUGZFVWUOGOHH-CYBMUJFWSA-N 1 0 253.390 2.269 10 0 CEAERO Cc1nn(Cc2ccn(C(C)C)n2)c(C)c1[C@H](C)[NH3+] ZINC000085171033 178961761 /nfs/dbraw/zinc/96/17/61/178961761.db2.gz QHBARNRJEMLOTJ-JTQLQIEISA-N 1 0 261.373 2.345 10 0 CEAERO CCC[NH2+][C@H](CO)CCN(C)c1cccc(C)c1 ZINC000085214230 178977967 /nfs/dbraw/zinc/97/79/67/178977967.db2.gz SUWMHHYQFUBOGE-AWEZNQCLSA-N 1 0 250.386 2.182 10 0 CEAERO C[C@@H]1C[C@H]([NH3+])CN(c2cccc(C(F)(F)F)n2)C1 ZINC000094552996 136513538 /nfs/dbraw/zinc/51/35/38/136513538.db2.gz QLCMPSLVWFRYHO-BDAKNGLRSA-N 1 0 259.275 2.274 10 0 CEAERO CCC[NH2+][C@@](CO)(CN(CC(C)C)C1CC1)C1CC1 ZINC000085242521 178985090 /nfs/dbraw/zinc/98/50/90/178985090.db2.gz WZEJOUBNYKYJEK-MRXNPFEDSA-N 1 0 268.445 2.248 10 0 CEAERO CC[NH2+][C@@H](C)c1ccnc(N2CCOC(C)(C)C2)c1 ZINC000094998399 136515205 /nfs/dbraw/zinc/51/52/05/136515205.db2.gz KVUOPEGHTCYTBK-LBPRGKRZSA-N 1 0 263.385 2.367 10 0 CEAERO COc1cccc(C[C@H](NN)C(C)(C)[NH+]2CCCCC2)c1 ZINC000097581928 185629377 /nfs/dbraw/zinc/62/93/77/185629377.db2.gz HPFGGCXWOSLICY-INIZCTEOSA-N 1 0 291.439 2.334 10 0 CEAERO CCC(CC)([C@H](Cc1ccccc1C)NN)[NH+](C)C ZINC000097586439 185631827 /nfs/dbraw/zinc/63/18/27/185631827.db2.gz VCLLSMYWVSNVKH-HNNXBMFYSA-N 1 0 263.429 2.490 10 0 CEAERO CC(C)[NH2+][C@@H](CO)CCOc1ccc2c(c1)CCC2 ZINC000085282552 179000262 /nfs/dbraw/zinc/00/02/62/179000262.db2.gz UDEXHOUIFDAJEC-OAHLLOKOSA-N 1 0 263.381 2.303 10 0 CEAERO Cc1ccc(OCC[C@H]([NH3+])CO)c(C(C)(C)C)c1 ZINC000085283155 179000723 /nfs/dbraw/zinc/00/07/23/179000723.db2.gz ZXWBXERAWGUCFX-LBPRGKRZSA-N 1 0 251.370 2.381 10 0 CEAERO C[NH2+][C@](C)(CO)C[C@H](C)Oc1ccc(F)cc1F ZINC000085283034 179001187 /nfs/dbraw/zinc/00/11/87/179001187.db2.gz KBBNELZJMGHCFT-ZANVPECISA-N 1 0 259.296 2.093 10 0 CEAERO C[NH2+][C@@](C)(CO)C[C@@H](C)Oc1cc(C)ccc1C ZINC000085284563 179002067 /nfs/dbraw/zinc/00/20/67/179002067.db2.gz FXPDKDVXPNZTGX-UKRRQHHQSA-N 1 0 251.370 2.431 10 0 CEAERO C[NH2+][C@](C)(CO)C[C@H](C)Oc1cc(F)ccc1F ZINC000085265750 178995992 /nfs/dbraw/zinc/99/59/92/178995992.db2.gz USOYRNVIXFKSSM-ZANVPECISA-N 1 0 259.296 2.093 10 0 CEAERO Cc1ccc(C)c(OCCC[C@@](C)([NH3+])CO)c1C ZINC000085286224 179003860 /nfs/dbraw/zinc/00/38/60/179003860.db2.gz KURAXURCPYVCGX-OAHLLOKOSA-N 1 0 251.370 2.481 10 0 CEAERO CCCOc1ccc(OCC[C@H](CO)[NH2+]CC)cc1 ZINC000085286172 179004010 /nfs/dbraw/zinc/00/40/10/179004010.db2.gz PXGLWQLIHPVINT-CYBMUJFWSA-N 1 0 267.369 2.215 10 0 CEAERO C[C@@H]1CC[C@H](OC[C@@](C)(CO)[NH2+]C2CC2)C[C@@H]1C ZINC000085287139 179004676 /nfs/dbraw/zinc/00/46/76/179004676.db2.gz XTHBBJDIRVGDSV-PAPYEOQZSA-N 1 0 255.402 2.331 10 0 CEAERO CC[NH2+][C@@H](CO)CCSc1nc2cc(C)ccc2[nH]1 ZINC000085288244 179005205 /nfs/dbraw/zinc/00/52/05/179005205.db2.gz DBZSQJNVGHDJKI-LLVKDONJSA-N 1 0 279.409 2.324 10 0 CEAERO Cc1cc(SCCC[C@@](C)(CO)[NH2+]C(C)C)n(C)n1 ZINC000085289392 179005886 /nfs/dbraw/zinc/00/58/86/179005886.db2.gz WMNOJPDKBSXKQO-AWEZNQCLSA-N 1 0 285.457 2.350 10 0 CEAERO CCC[NH2+][C@@](CO)(CSc1ccccn1)C1CC1 ZINC000085292062 179007758 /nfs/dbraw/zinc/00/77/58/179007758.db2.gz WOFOXFXGCBGVLV-AWEZNQCLSA-N 1 0 266.410 2.314 10 0 CEAERO CC[NH2+][C@@](C)(CO)C[C@@H](C)Sc1nnc(C)s1 ZINC000085297124 179008240 /nfs/dbraw/zinc/00/82/40/179008240.db2.gz RLIZZPJVFLGVOR-LDYMZIIASA-N 1 0 275.443 2.078 10 0 CEAERO Cc1nnc(SCC[C@@](C)(CO)[NH2+]C(C)C)s1 ZINC000085297111 179008699 /nfs/dbraw/zinc/00/86/99/179008699.db2.gz MUXZTAQKLYGELD-NSHDSACASA-N 1 0 275.443 2.078 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)C[C@@H](C)Sc1nccn1C ZINC000085299126 179009059 /nfs/dbraw/zinc/00/90/59/179009059.db2.gz MABFPGPQZFFCGG-DGCLKSJQSA-N 1 0 271.430 2.040 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCCCSc1ncc(C)cn1 ZINC000085297816 179009477 /nfs/dbraw/zinc/00/94/77/179009477.db2.gz DXOWFWQZYQDBJA-CQSZACIVSA-N 1 0 283.441 2.408 10 0 CEAERO C[NH2+][C@](CO)(CSc1ccc(F)cc1F)C1CC1 ZINC000085298369 179009491 /nfs/dbraw/zinc/00/94/91/179009491.db2.gz KCEDZVKNZSYZNC-CYBMUJFWSA-N 1 0 273.348 2.417 10 0 CEAERO CC[NH2+][C@](C)(CO)C[C@@H](C)Oc1ccc(OC)cc1 ZINC000085285628 179003199 /nfs/dbraw/zinc/00/31/99/179003199.db2.gz CQXPEHMLASHUAU-DOMZBBRYSA-N 1 0 267.369 2.213 10 0 CEAERO CN(CCCC[C@](C)(O)C[NH3+])c1cccc(F)c1 ZINC000085303691 179011070 /nfs/dbraw/zinc/01/10/70/179011070.db2.gz FSFSQCYMRDWOGY-AWEZNQCLSA-N 1 0 254.349 2.142 10 0 CEAERO C[C@](O)(C[NH3+])CCCCn1ccnc1-c1cccs1 ZINC000085304855 179012134 /nfs/dbraw/zinc/01/21/34/179012134.db2.gz FHVZTNVJEHQOOY-CQSZACIVSA-N 1 0 279.409 2.492 10 0 CEAERO Cc1ccc(C(C)(C)C)c(OCC[C@H](O)C[NH3+])c1 ZINC000085305514 179012189 /nfs/dbraw/zinc/01/21/89/179012189.db2.gz OVDQYYSPCFTPDH-LBPRGKRZSA-N 1 0 251.370 2.381 10 0 CEAERO C[C@@H]([NH3+])CSCc1nnc(-c2cccs2)o1 ZINC000085314096 179013857 /nfs/dbraw/zinc/01/38/57/179013857.db2.gz ACJBNRYJFTUPTF-SSDOTTSWSA-N 1 0 255.368 2.379 10 0 CEAERO COc1cc(F)c(C(=O)[C@H]2CCC[NH2+]C2)cc1OC ZINC000085320722 179014398 /nfs/dbraw/zinc/01/43/98/179014398.db2.gz UBBPAAGMBGANCQ-VIFPVBQESA-N 1 0 267.300 2.025 10 0 CEAERO CC1(C)Cc2cc([C@@H](O)[C@@H]3CCC[NH2+]C3)ccc2O1 ZINC000085320738 179014440 /nfs/dbraw/zinc/01/44/40/179014440.db2.gz YGCYQEVAHSBAIJ-IUODEOHRSA-N 1 0 261.365 2.433 10 0 CEAERO [NH3+]C[C@@](O)(CSCc1ccco1)c1ccccc1 ZINC000085320481 179014560 /nfs/dbraw/zinc/01/45/60/179014560.db2.gz PHKPOCVTQQKFKX-CQSZACIVSA-N 1 0 263.362 2.359 10 0 CEAERO COc1cc(-c2noc([C@H]3CCCC[C@H]3[NH3+])n2)ccc1O ZINC000085325251 179017840 /nfs/dbraw/zinc/01/78/40/179017840.db2.gz BVQSELQDKWLDSW-WDEREUQCSA-N 1 0 289.335 2.436 10 0 CEAERO COc1ccc(COC(=O)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000085331195 179020919 /nfs/dbraw/zinc/02/09/19/179020919.db2.gz GCLXITOSCAQBQP-UONOGXRCSA-N 1 0 263.337 2.256 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)Nc1cccc2cccnc21 ZINC000085355463 179030315 /nfs/dbraw/zinc/03/03/15/179030315.db2.gz DUOLMHQFZURHGL-NEPJUHHUSA-N 1 0 255.321 2.301 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)NCc1cccc(Cl)c1 ZINC000085358400 179031527 /nfs/dbraw/zinc/03/15/27/179031527.db2.gz YTQPGNHNBXJTKN-NEPJUHHUSA-N 1 0 252.745 2.084 10 0 CEAERO CC(=O)Nc1ccc(C)c(NC(=O)[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000085359601 179031943 /nfs/dbraw/zinc/03/19/43/179031943.db2.gz QGPBVLWREPMSJF-STQMWFEESA-N 1 0 275.352 2.019 10 0 CEAERO CC(=O)Nc1cc(NC(=O)[C@H]2CCC[C@H]2[NH3+])ccc1C ZINC000085364939 179036014 /nfs/dbraw/zinc/03/60/14/179036014.db2.gz GIAJWQDRGYWDQB-QWHCGFSZSA-N 1 0 275.352 2.019 10 0 CEAERO CC[C@H]([NH3+])c1ncc(I)s1 ZINC000085351971 179029672 /nfs/dbraw/zinc/02/96/72/179029672.db2.gz WZRLMDQIGOYCQW-BYPYZUCNSA-N 1 0 268.123 2.158 10 0 CEAERO CC[C@@H]([NH3+])CSCc1csc(NC(C)=O)n1 ZINC000085349240 179029942 /nfs/dbraw/zinc/02/99/42/179029942.db2.gz QZYYTQKDBRZRBM-MRVPVSSYSA-N 1 0 259.400 2.072 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000085365817 179036738 /nfs/dbraw/zinc/03/67/38/179036738.db2.gz GJRBGYCRLGGQJN-SCZZXKLOSA-N 1 0 288.269 2.493 10 0 CEAERO CN(CCOc1ccccc1)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085366467 179037253 /nfs/dbraw/zinc/03/72/53/179037253.db2.gz AYAFAZWADIGYKH-HUUCEWRRSA-N 1 0 276.380 2.041 10 0 CEAERO CC(=O)c1ccc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000085371780 179041887 /nfs/dbraw/zinc/04/18/87/179041887.db2.gz SOBPJQANONPKFP-KBPBESRZSA-N 1 0 260.337 2.345 10 0 CEAERO CCc1nc(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])sc1C ZINC000085372489 179042490 /nfs/dbraw/zinc/04/24/90/179042490.db2.gz ZZQROFRCVWEDER-NXEZZACHSA-N 1 0 267.398 2.470 10 0 CEAERO COc1cccc(N(C)C(=O)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000085373434 179042765 /nfs/dbraw/zinc/04/27/65/179042765.db2.gz ZCCDGBVVPKGVQZ-ZIAGYGMSSA-N 1 0 262.353 2.176 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000085373171 179043010 /nfs/dbraw/zinc/04/30/10/179043010.db2.gz YVWXLEKBULSVLO-APIJFGDWSA-N 1 0 258.365 2.176 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)NCCc1cc(F)cc(F)c1 ZINC000085374234 179043333 /nfs/dbraw/zinc/04/33/33/179043333.db2.gz KBVZCEAPYOQVPW-KBPBESRZSA-N 1 0 282.334 2.141 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)Nc1cc(F)cc(F)c1F ZINC000085374323 179043565 /nfs/dbraw/zinc/04/35/65/179043565.db2.gz SDZXZLNUODJZGJ-CBAPKCEASA-N 1 0 258.243 2.170 10 0 CEAERO C[C@@H]1Cc2ccccc2N(C2(C[NH3+])CCOCC2)C1 ZINC000110027778 136530308 /nfs/dbraw/zinc/53/03/08/136530308.db2.gz AUWQDARAKDYBAZ-CYBMUJFWSA-N 1 0 260.381 2.193 10 0 CEAERO Cc1csc([C@H](C)NC(=O)[C@H]2CCCC[C@@H]2[NH3+])n1 ZINC000085376301 179044516 /nfs/dbraw/zinc/04/45/16/179044516.db2.gz VSPNDOKRDILUIJ-DCAQKATOSA-N 1 0 267.398 2.146 10 0 CEAERO C[C@H](NC(=O)[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000062116204 362708227 /nfs/dbraw/zinc/70/82/27/362708227.db2.gz QTSVRJUJYPBGAB-ONGXEEELSA-N 1 0 252.745 2.127 10 0 CEAERO [NH3+]CCc1ccc(COc2ccc3c(c2)OCO3)cc1 ZINC000097809873 185670304 /nfs/dbraw/zinc/67/03/04/185670304.db2.gz XVTIXJRHPXDITN-UHFFFAOYSA-N 1 0 271.316 2.496 10 0 CEAERO CC(C)Oc1ccccc1[C@H](C)NC(=O)[C@@H]1CC[NH2+]C1 ZINC000062114174 362706972 /nfs/dbraw/zinc/70/69/72/362706972.db2.gz NOZRZRSBQOLIMB-QWHCGFSZSA-N 1 0 276.380 2.261 10 0 CEAERO CCC[C@H]1C[NH2+][C@@H](C(C)C)CN1Cc1cnn(C)c1 ZINC000085450893 179065384 /nfs/dbraw/zinc/06/53/84/179065384.db2.gz KLXCNNAHGNSUSS-LSDHHAIUSA-N 1 0 264.417 2.019 10 0 CEAERO CO[C@H]1CCC[C@@H]([N@@H+]2CCNC[C@@H]2C(C)(C)C)C1 ZINC000085451675 179065899 /nfs/dbraw/zinc/06/58/99/179065899.db2.gz AVXUFTLOVBFSIQ-HZSPNIEDSA-N 1 0 254.418 2.264 10 0 CEAERO CCC(CC)n1ccc(CN2C[C@@H](C)[NH2+]C[C@@H]2C)n1 ZINC000085453181 179066864 /nfs/dbraw/zinc/06/68/64/179066864.db2.gz LNAKILZWMRVXQN-OLZOCXBDSA-N 1 0 264.417 2.426 10 0 CEAERO C[C@@H]1CN(CCOCC(F)(F)F)[C@H](C(C)(C)C)C[NH2+]1 ZINC000085454736 179068017 /nfs/dbraw/zinc/06/80/17/179068017.db2.gz WEOFFRGAYVKBQO-MNOVXSKESA-N 1 0 282.350 2.274 10 0 CEAERO CCC[C@H]1CN(C[C@@H]2CCCO2)[C@@H](CCC)C[NH2+]1 ZINC000085455119 179068177 /nfs/dbraw/zinc/06/81/77/179068177.db2.gz ZTKOKMFPDZXMCL-KKUMJFAQSA-N 1 0 254.418 2.408 10 0 CEAERO CC[C@H]1CN(CCOC(C)C)C2(CCCC2)C[NH2+]1 ZINC000085474778 179079019 /nfs/dbraw/zinc/07/90/19/179079019.db2.gz RCJZMQIFEOAMPZ-AWEZNQCLSA-N 1 0 254.418 2.408 10 0 CEAERO COCC[N@@H+]1C[C@@H](C(C)(C)C)NC[C@@]1(C)C1CC1 ZINC000085486738 179080081 /nfs/dbraw/zinc/08/00/81/179080081.db2.gz SFQLZPIPFNNVRJ-ZFWWWQNUSA-N 1 0 254.418 2.121 10 0 CEAERO CC(C)(C)[C@@H]1CN(C[C@@H]2CCCO2)C(C)(C)C[NH2+]1 ZINC000085486251 179080143 /nfs/dbraw/zinc/08/01/43/179080143.db2.gz NZWBFGYMQDEBPR-STQMWFEESA-N 1 0 254.418 2.264 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1CNc1ncncc1Br ZINC000085480858 179080513 /nfs/dbraw/zinc/08/05/13/179080513.db2.gz FMGLDZZQRPXGHO-BDAKNGLRSA-N 1 0 285.189 2.026 10 0 CEAERO CC(C)(C)[C@@H]1CN(Cc2ncccn2)C(C)(C)C[NH2+]1 ZINC000085486236 179080586 /nfs/dbraw/zinc/08/05/86/179080586.db2.gz NSOJGHYREGHTFN-LBPRGKRZSA-N 1 0 262.401 2.075 10 0 CEAERO CC[C@H](C)[C@H]1CN([C@@H]2CCOC2)[C@H](C(C)C)C[NH2+]1 ZINC000085491522 179080768 /nfs/dbraw/zinc/08/07/68/179080768.db2.gz RDCBBGARAXVZNU-YJNKXOJESA-N 1 0 254.418 2.120 10 0 CEAERO CC[C@@H](C)[C@@H]1C[NH2+]C(C)(C)CN1Cc1cnn(C)c1 ZINC000085470368 179075066 /nfs/dbraw/zinc/07/50/66/179075066.db2.gz ICVIFIMAJGHODB-OCCSQVGLSA-N 1 0 264.417 2.019 10 0 CEAERO CCC1(CC)C[NH2+]C(C)(C)CN1Cc1ncccn1 ZINC000085471345 179075979 /nfs/dbraw/zinc/07/59/79/179075979.db2.gz ZQCLOJKOSYFWPU-UHFFFAOYSA-N 1 0 262.401 2.219 10 0 CEAERO CC1(C)CN([C@@H]2CCOC2)[C@@H](c2ccccc2)C[NH2+]1 ZINC000085470932 179076256 /nfs/dbraw/zinc/07/62/56/179076256.db2.gz GBMRFNTUBQUDLZ-HUUCEWRRSA-N 1 0 260.381 2.200 10 0 CEAERO Cn1cc(CN2CC(C)(C)[NH2+]C[C@@H]2C(C)(C)C)cn1 ZINC000085470889 179076345 /nfs/dbraw/zinc/07/63/45/179076345.db2.gz LYTYFBUJQKYXIA-CYBMUJFWSA-N 1 0 264.417 2.019 10 0 CEAERO CC[C@]1(C)C[NH2+]C(C)(C)CN1CCn1ccnc1C ZINC000085471202 179076671 /nfs/dbraw/zinc/07/66/71/179076671.db2.gz DMMVUYYRNVBJJO-OAHLLOKOSA-N 1 0 264.417 2.044 10 0 CEAERO CCC[C@H]1CN[C@](C)(C2CC2)C[N@@H+]1CCCOC ZINC000085511175 179085348 /nfs/dbraw/zinc/08/53/48/179085348.db2.gz TXXZRZOBGCLTKX-GJZGRUSLSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1cccnc1 ZINC000085510978 179086071 /nfs/dbraw/zinc/08/60/71/179086071.db2.gz CRQAAOQEGJGJIF-CVEARBPZSA-N 1 0 259.397 2.434 10 0 CEAERO C[C@@]1(C2CC2)C[N@H+](CCCn2ccnc2)[C@H](C2CC2)CN1 ZINC000085513521 179086170 /nfs/dbraw/zinc/08/61/70/179086170.db2.gz LSVBWZQNPUSMMM-IRXDYDNUSA-N 1 0 288.439 2.126 10 0 CEAERO CC(C)C[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1CCn1cccn1 ZINC000085513225 179087000 /nfs/dbraw/zinc/08/70/00/179087000.db2.gz JVXWDQNCDIBUFM-IAGOWNOFSA-N 1 0 290.455 2.372 10 0 CEAERO CCC1(CC)CN(Cc2cnn(C)c2)[C@H](C2CC2)C[NH2+]1 ZINC000085519300 179087569 /nfs/dbraw/zinc/08/75/69/179087569.db2.gz VRJLILQNPYHZAA-HNNXBMFYSA-N 1 0 276.428 2.163 10 0 CEAERO C[C@H]1CNC2(CCCC2)C[N@@H+]1CC1CCOCC1 ZINC000085497633 179082898 /nfs/dbraw/zinc/08/28/98/179082898.db2.gz KPSXDAZKJWNAHG-ZDUSSCGKSA-N 1 0 252.402 2.020 10 0 CEAERO CCOCC[N@@H+]1C[C@H](c2ccccc2)NC[C@@H]1C1CC1 ZINC000085506901 179084498 /nfs/dbraw/zinc/08/44/98/179084498.db2.gz IESMGUMCSCDYNP-IAGOWNOFSA-N 1 0 274.408 2.448 10 0 CEAERO CCC[C@H]1C[NH2+]C2(CCCCC2)CN1CCOC ZINC000085502912 179084534 /nfs/dbraw/zinc/08/45/34/179084534.db2.gz PJCIYQDDCZECPO-AWEZNQCLSA-N 1 0 254.418 2.410 10 0 CEAERO c1ccc2c(c1)OC[C@H]2n1c2c(nc1C1CC1)C[NH2+]CC2 ZINC000085572058 179097714 /nfs/dbraw/zinc/09/77/14/179097714.db2.gz FRDIZLLORANTQR-OAHLLOKOSA-N 1 0 281.359 2.388 10 0 CEAERO CC1(C)[C@H]([NH3+])C[C@@H]1Oc1cncc(Br)c1 ZINC000085526315 179089232 /nfs/dbraw/zinc/08/92/32/179089232.db2.gz XJYGHWFAAFBMMM-ZJUUUORDSA-N 1 0 271.158 2.349 10 0 CEAERO CCC1(CC)CN[C@@H](C2CC2)C[N@@H+]1CCCOC ZINC000085528766 179090264 /nfs/dbraw/zinc/09/02/64/179090264.db2.gz KMBIPJZARKMFNP-CQSZACIVSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@]1(C)C[NH2+][C@H](C2CC2)CN1CCn1ccnc1C ZINC000085528380 179091097 /nfs/dbraw/zinc/09/10/97/179091097.db2.gz LLNIPHUWXVEOOW-JKSUJKDBSA-N 1 0 276.428 2.044 10 0 CEAERO Cc1nccn1CCN1C[C@@H](C2CCCCC2)[NH2+]C[C@@H]1C ZINC000085529667 179091679 /nfs/dbraw/zinc/09/16/79/179091679.db2.gz MCEVDSBLTHALHM-YOEHRIQHSA-N 1 0 290.455 2.434 10 0 CEAERO Cc1nc2c(n1-c1ccc3c(c1)CCC3)CC[NH2+]C2 ZINC000085568889 179095053 /nfs/dbraw/zinc/09/50/53/179095053.db2.gz WNVVCAWWLNJNDZ-UHFFFAOYSA-N 1 0 253.349 2.315 10 0 CEAERO CC(C)(C)c1nc2c(n1C1CCOCC1)CC[NH2+]C2 ZINC000085570394 179096682 /nfs/dbraw/zinc/09/66/82/179096682.db2.gz RXHYGBWVUWAASL-UHFFFAOYSA-N 1 0 263.385 2.178 10 0 CEAERO CCC(CC)NC(=O)[C@H](C)[NH2+][C@H](CO)c1ccccc1 ZINC000063002802 362740778 /nfs/dbraw/zinc/74/07/78/362740778.db2.gz SBWRDHXJCBMYCH-SWLSCSKDSA-N 1 0 278.396 2.003 10 0 CEAERO CC(C)c1nc2c(n1CC[C@H]1CCCO1)CC[NH2+]C2 ZINC000085573408 179098853 /nfs/dbraw/zinc/09/88/53/179098853.db2.gz TUQTWHQNAROPDJ-GFCCVEGCSA-N 1 0 263.385 2.221 10 0 CEAERO CCCCOCCn1c(CCC)nc2c1CC[NH2+]C2 ZINC000085573855 179099732 /nfs/dbraw/zinc/09/97/32/179099732.db2.gz YKJCXSUSJDFVIA-UHFFFAOYSA-N 1 0 265.401 2.298 10 0 CEAERO c1ccc2c(c1)CCO[C@@H]2CN1CCC[NH2+][C@H](C2CC2)C1 ZINC000085616207 179103593 /nfs/dbraw/zinc/10/35/93/179103593.db2.gz ZUOLJMZKNQCALV-ZWKOTPCHSA-N 1 0 286.419 2.374 10 0 CEAERO c1cnn(CCN2CCC[NH2+][C@@H](C3CCCCC3)C2)c1 ZINC000085615189 179103785 /nfs/dbraw/zinc/10/37/85/179103785.db2.gz KEXMFHCWNVCTOW-MRXNPFEDSA-N 1 0 276.428 2.127 10 0 CEAERO Cn1cc(CN2CCC[NH2+][C@H](C3CCCCC3)C2)cn1 ZINC000085615423 179104201 /nfs/dbraw/zinc/10/42/01/179104201.db2.gz YNHJIZOAIUEMBK-INIZCTEOSA-N 1 0 276.428 2.164 10 0 CEAERO CCC1(CC)CN(Cc2cccc(OC)n2)CCC[NH2+]1 ZINC000085617470 179104683 /nfs/dbraw/zinc/10/46/83/179104683.db2.gz HEENUTSRSHSXKL-UHFFFAOYSA-N 1 0 277.412 2.444 10 0 CEAERO C[C@@]1(c2ccccc2)C[N@H+](C[C@@H]2CCOC2)CCCN1 ZINC000085615785 179104809 /nfs/dbraw/zinc/10/48/09/179104809.db2.gz MFSRREBXOCWZTR-RDJZCZTQSA-N 1 0 274.408 2.234 10 0 CEAERO C[C@H]1CCNC(C)(C)C[N@@H+]1CCCOCC(F)(F)F ZINC000085622633 179106081 /nfs/dbraw/zinc/10/60/81/179106081.db2.gz IACSZORFRWNNKF-NSHDSACASA-N 1 0 282.350 2.418 10 0 CEAERO C[C@H](Cn1ccnc1)[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085674130 179111687 /nfs/dbraw/zinc/11/16/87/179111687.db2.gz MCZASCKCECBAPO-RQJABVFESA-N 1 0 263.385 2.065 10 0 CEAERO C[C@@H]([NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)c1nnc2n1CCC2 ZINC000085674067 179111824 /nfs/dbraw/zinc/11/18/24/179111824.db2.gz WSXQDWWBEIPBAS-WVWOOGAGSA-N 1 0 290.411 2.079 10 0 CEAERO CC(C)COCCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000085630818 179107575 /nfs/dbraw/zinc/10/75/75/179107575.db2.gz GYDOXVDNWJZBFI-MCIONIFRSA-N 1 0 255.402 2.452 10 0 CEAERO CC(C)C[C@@H](CN(C)C)[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085635105 179109406 /nfs/dbraw/zinc/10/94/06/179109406.db2.gz GAZGCZJUZIMFOE-AJNGGQMLSA-N 1 0 268.445 2.366 10 0 CEAERO Cc1cc([C@H]([NH2+]C2CC2)C(N)=O)ccc1Br ZINC000085707282 179121984 /nfs/dbraw/zinc/12/19/84/179121984.db2.gz WXTFFUIVIMHQDO-NSHDSACASA-N 1 0 283.169 2.036 10 0 CEAERO OC1(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)CCC1 ZINC000336800095 365827787 /nfs/dbraw/zinc/82/77/87/365827787.db2.gz KZPYDXHOORCZLN-UHFFFAOYSA-N 1 0 280.799 2.377 10 0 CEAERO CC[NH2+]C[C@H]1CCCCN1c1cccc(OCC)n1 ZINC000110546312 136556762 /nfs/dbraw/zinc/55/67/62/136556762.db2.gz PNTOKZCNNDJQAD-CYBMUJFWSA-N 1 0 263.385 2.449 10 0 CEAERO COc1cccc(N2CCC(C[NH2+]C(C)C)CC2)n1 ZINC000110546157 136557017 /nfs/dbraw/zinc/55/70/17/136557017.db2.gz FXBQQHNAWPNBTE-UHFFFAOYSA-N 1 0 263.385 2.305 10 0 CEAERO CC[NH2+]C[C@@H]1CC[C@@H](CN2CCN(C)c3ccccc32)O1 ZINC000111463337 136562095 /nfs/dbraw/zinc/56/20/95/136562095.db2.gz MXVGLZNZNKCYTK-GJZGRUSLSA-N 1 0 289.423 2.100 10 0 CEAERO CC[C@@H]1CN(c2ccc(C[C@@H](C)[NH3+])c(C)c2)CCO1 ZINC000111493402 136562628 /nfs/dbraw/zinc/56/26/28/136562628.db2.gz GRMNWKUFVRKDJD-CZUORRHYSA-N 1 0 262.397 2.500 10 0 CEAERO COC1CCN(c2nc3ccccc3cc2CC[NH3+])CC1 ZINC000111479447 136562719 /nfs/dbraw/zinc/56/27/19/136562719.db2.gz FAFBVUVXBFWMKW-UHFFFAOYSA-N 1 0 285.391 2.351 10 0 CEAERO Cc1sc2ncnc(N3CC[C@H]([C@@H](C)[NH3+])C3)c2c1C ZINC000127247511 282492232 /nfs/dbraw/zinc/49/22/32/282492232.db2.gz RNDRKHWSCTVRNF-KOLCDFICSA-N 1 0 276.409 2.482 10 0 CEAERO Cc1nc(NC(=O)C[NH2+]C(C)C)ccc1Br ZINC000085729000 179131983 /nfs/dbraw/zinc/13/19/83/179131983.db2.gz ZNDJMPPVFPLYCG-UHFFFAOYSA-N 1 0 286.173 2.089 10 0 CEAERO Cc1cc(C)cc(OCCCN2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC000336808580 365844478 /nfs/dbraw/zinc/84/44/78/365844478.db2.gz CJEJFIZRLQPHQS-GDBMZVCRSA-N 1 0 262.397 2.494 10 0 CEAERO COC(=O)c1ccc(N[C@H]2CC[C@H](C[NH3+])CC2)nc1C ZINC000600962747 346720525 /nfs/dbraw/zinc/72/05/25/346720525.db2.gz LAGSZJHHZVTRFT-HAQNSBGRSA-N 1 0 277.368 2.106 10 0 CEAERO CC[C@@](C)([C@@H](Cc1ccccc1)[NH2+]C)N1CCOCC1 ZINC000085750138 179142833 /nfs/dbraw/zinc/14/28/33/179142833.db2.gz IIEHEEIFTNBTIA-SJORKVTESA-N 1 0 276.424 2.318 10 0 CEAERO C[NH2+][C@H](Cc1ccccc1)C1(N2CCOCC2)CCCC1 ZINC000085752841 179144589 /nfs/dbraw/zinc/14/45/89/179144589.db2.gz XOIDTJMEJPGDND-QGZVFWFLSA-N 1 0 288.435 2.462 10 0 CEAERO C[C@H]1CCc2ccccc2N1C(=O)C1CC[NH2+]CC1 ZINC000019409466 136576707 /nfs/dbraw/zinc/57/67/07/136576707.db2.gz SWRAUODLMLAKCV-LBPRGKRZSA-N 1 0 258.365 2.354 10 0 CEAERO CN(C(=O)C[C@H]1CC[NH2+]C1)[C@H]1CCc2ccccc2C1 ZINC000129406787 365854581 /nfs/dbraw/zinc/85/45/81/365854581.db2.gz LYIIRFXNPZCUQQ-CJNGLKHVSA-N 1 0 272.392 2.002 10 0 CEAERO Cc1ccc(C)c(OCCCN2CC[C@H]([NH3+])[C@H]2C)c1 ZINC000336813863 365854955 /nfs/dbraw/zinc/85/49/55/365854955.db2.gz VTFWRBGHLSCMLL-CABCVRRESA-N 1 0 262.397 2.494 10 0 CEAERO C[NH+](C)C[C@@H](O)Cc1ccc(F)c(Br)c1 ZINC000085794012 179171871 /nfs/dbraw/zinc/17/18/71/179171871.db2.gz WNGAYVHSVMJDFE-VIFPVBQESA-N 1 0 276.149 2.053 10 0 CEAERO C[NH2+][C@H](Cc1ccc(F)cc1Br)CN(C)C ZINC000085798783 179173039 /nfs/dbraw/zinc/17/30/39/179173039.db2.gz HNBOTEIDLAPPGE-LLVKDONJSA-N 1 0 289.192 2.280 10 0 CEAERO C[C@@H](NC(=O)[C@@]1([NH3+])CCOC1)c1cccc2ccccc21 ZINC000085912834 179196878 /nfs/dbraw/zinc/19/68/78/179196878.db2.gz YSAUOTFLVHJFGK-SJKOYZFVSA-N 1 0 284.359 2.135 10 0 CEAERO CCc1ccc([C@@H](NC(=O)[C@]2([NH3+])CCOC2)C(C)C)cc1 ZINC000085912408 179196915 /nfs/dbraw/zinc/19/69/15/179196915.db2.gz RITAZBBROSPFPC-RDJZCZTQSA-N 1 0 290.407 2.180 10 0 CEAERO [NH3+][C@@]1(C(=O)Nc2ccccc2-c2ccccc2)CCOC1 ZINC000085867171 179192224 /nfs/dbraw/zinc/19/22/24/179192224.db2.gz RKCFMXRPEFBJOQ-KRWDZBQOSA-N 1 0 282.343 2.410 10 0 CEAERO [NH3+][C@@]1(C(=O)N2CCC[C@@H]2c2ccccc2Cl)CCOC1 ZINC000085877983 179194772 /nfs/dbraw/zinc/19/47/72/179194772.db2.gz ITHOMBFBSVWSIU-HIFRSBDPSA-N 1 0 294.782 2.121 10 0 CEAERO COc1cc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)ccc1O ZINC000085963987 179205521 /nfs/dbraw/zinc/20/55/21/179205521.db2.gz PIUGMQDCCUKCCH-STQMWFEESA-N 1 0 265.353 2.042 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(F)c(F)c1 ZINC000085966742 179205928 /nfs/dbraw/zinc/20/59/28/179205928.db2.gz NXTVKJXDHOACLK-ZWNOBZJWSA-N 1 0 268.307 2.212 10 0 CEAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(Br)cn1 ZINC000085978954 179208631 /nfs/dbraw/zinc/20/86/31/179208631.db2.gz BLHSRIJMWXXSDG-ZWNOBZJWSA-N 1 0 299.212 2.485 10 0 CEAERO Cc1ccc(S(=O)(=O)NC[C@H]2CCCC[C@@H]2[NH3+])cc1C ZINC000085971626 179206465 /nfs/dbraw/zinc/20/64/65/179206465.db2.gz WRVZKDHMCMQNMI-HIFRSBDPSA-N 1 0 296.436 2.099 10 0 CEAERO COc1ccccc1NC(=O)NC[C@H]1CCCC[C@@H]1[NH3+] ZINC000085970388 179206802 /nfs/dbraw/zinc/20/68/02/179206802.db2.gz AVNIROAHBBFIBX-NEPJUHHUSA-N 1 0 277.368 2.334 10 0 CEAERO CCO[C@H]1C[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)C1(C)C ZINC000085974041 179207778 /nfs/dbraw/zinc/20/77/78/179207778.db2.gz CDTFKPUTLGNZNS-XUXIUFHCSA-N 1 0 255.402 2.331 10 0 CEAERO CC(C)Oc1cncc(NC[C@@H]2CCCC[C@H]2[NH3+])n1 ZINC000085975028 179207832 /nfs/dbraw/zinc/20/78/32/179207832.db2.gz AFVQITRGFGXTDW-NWDGAFQWSA-N 1 0 264.373 2.193 10 0 CEAERO Cc1cc(C(C)(C)C)ccc1OC[C@@H]([NH3+])CCO ZINC000085921391 179200266 /nfs/dbraw/zinc/20/02/66/179200266.db2.gz KSPQCBZCWHKOOY-ZDUSSCGKSA-N 1 0 251.370 2.381 10 0 CEAERO Nc1ccc(Cl)c(SC[C@H]2C[NH2+]CCO2)c1 ZINC000085929864 179203005 /nfs/dbraw/zinc/20/30/05/179203005.db2.gz DFNVDLIBYKFLIJ-SECBINFHSA-N 1 0 258.774 2.003 10 0 CEAERO CC(C)(C)[NH2+]Cc1cnc2cnc(Br)cn12 ZINC000086004144 179214597 /nfs/dbraw/zinc/21/45/97/179214597.db2.gz MBUOWIBIMNEHAO-UHFFFAOYSA-N 1 0 283.173 2.380 10 0 CEAERO C[C@@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)C(=O)Nc1ccccc1 ZINC000085986241 179212147 /nfs/dbraw/zinc/21/21/47/179212147.db2.gz PMXBRNOPOTXSIM-IPYPFGDCSA-N 1 0 276.380 2.154 10 0 CEAERO CCC[NH2+][C@@H]1CC[C@H](Sc2n[nH]c(=O)n2C(C)C)[C@@H]1C ZINC000086045593 179223177 /nfs/dbraw/zinc/22/31/77/179223177.db2.gz IIIRGCKCYKIAGG-UTUOFQBUSA-N 1 0 298.456 2.411 10 0 CEAERO C[C@H]1[C@H](NC(=O)c2cccc(CC[NH3+])c2)CC[C@@H]1C ZINC000086068852 179224155 /nfs/dbraw/zinc/22/41/55/179224155.db2.gz RUPOYTQLDLEJJM-YWPYICTPSA-N 1 0 260.381 2.352 10 0 CEAERO C[C@@H]1[C@@H](C)CC[C@@H]1[NH2+][C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000086075200 179225273 /nfs/dbraw/zinc/22/52/73/179225273.db2.gz QRPVHTGDZOIJJF-MYZSUADSSA-N 1 0 286.375 2.343 10 0 CEAERO C[C@@H]1[C@@H](C)CC[C@@H]1NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000086075562 179225848 /nfs/dbraw/zinc/22/58/48/179225848.db2.gz YGRIWPYMIZZYMG-IWTMDLJTSA-N 1 0 264.413 2.458 10 0 CEAERO CCC[NH2+][C@H](Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000086026258 179220130 /nfs/dbraw/zinc/22/01/30/179220130.db2.gz UAAZIXBRUBXBQB-DZGCQCFKSA-N 1 0 299.411 2.171 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CC[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000086040321 179221980 /nfs/dbraw/zinc/22/19/80/179221980.db2.gz PXCMFCQIHBFCLC-FXAINCCUSA-N 1 0 273.785 2.240 10 0 CEAERO C[NH2+][C@H]1CC[C@H](S(=O)(=O)c2ccc(F)cc2F)[C@@H]1C ZINC000086041067 179222303 /nfs/dbraw/zinc/22/23/03/179222303.db2.gz LUJZILKVCMCZHS-ZHAHWJHGSA-N 1 0 289.347 2.125 10 0 CEAERO C[C@H]([C@@H]1CCCO1)N1CC[NH2+]C2(CCCCC2)C1 ZINC000086127746 179236143 /nfs/dbraw/zinc/23/61/43/179236143.db2.gz PPXDXKXLCUIRFQ-KGLIPLIRSA-N 1 0 252.402 2.162 10 0 CEAERO CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC(=O)N(C3CCCC3)C2=O)[C@@H]1C ZINC000086093827 179228908 /nfs/dbraw/zinc/22/89/08/179228908.db2.gz UZYJMOLYWPPMGE-RJZRQDKASA-N 1 0 292.423 2.471 10 0 CEAERO CC[C@@H]1CC[C@@H](NC(=O)[C@@H]([NH3+])CCSC)[C@@H]1C ZINC000086093981 179228929 /nfs/dbraw/zinc/22/89/29/179228929.db2.gz HGZGCNLDWDFNNR-WISYIIOYSA-N 1 0 258.431 2.008 10 0 CEAERO CC[C@@H]1CC[C@@H](NC(=O)[C@@H]([NH3+])Cc2ccccc2)[C@@H]1C ZINC000086094711 179229498 /nfs/dbraw/zinc/22/94/98/179229498.db2.gz OCXSQSGHZWJVAH-DMRZNYOFSA-N 1 0 274.408 2.497 10 0 CEAERO Cc1ncsc1CN1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC000086149046 179240054 /nfs/dbraw/zinc/24/00/54/179240054.db2.gz SXWYDKFXZWHQTL-HNNXBMFYSA-N 1 0 287.432 2.468 10 0 CEAERO C[C@@]1(C2CC2)CN(C[C@@H]2Cc3ccccc3O2)CC[NH2+]1 ZINC000086146982 179240087 /nfs/dbraw/zinc/24/00/87/179240087.db2.gz APLIBYJJULSZBI-RDJZCZTQSA-N 1 0 272.392 2.064 10 0 CEAERO CC[C@@H](C)[C@H]1CN(CCOC2CCCC2)CC[NH2+]1 ZINC000086149494 179240247 /nfs/dbraw/zinc/24/02/47/179240247.db2.gz COTDFFAMIAKGPB-UKRRQHHQSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@@]1(C)CN(Cc2ccc(OC)cc2OC)CC[NH2+]1 ZINC000086149332 179240512 /nfs/dbraw/zinc/24/05/12/179240512.db2.gz MVWDQRHCSNAQPK-INIZCTEOSA-N 1 0 278.396 2.278 10 0 CEAERO CC[C@@H](C)[C@H]1CN(CCc2cscn2)CC[NH2+]1 ZINC000086149452 179240841 /nfs/dbraw/zinc/24/08/41/179240841.db2.gz UPJKYHICQRVLDA-DGCLKSJQSA-N 1 0 253.415 2.006 10 0 CEAERO C(CN1CC[NH2+][C@@H](C2CC2)C1)OC1CCCCC1 ZINC000086149583 179240860 /nfs/dbraw/zinc/24/08/60/179240860.db2.gz XYBXATRHIACCBI-OAHLLOKOSA-N 1 0 252.402 2.020 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C(C)C)CN1CCc1ccccn1 ZINC000086155991 179241197 /nfs/dbraw/zinc/24/11/97/179241197.db2.gz RZWMWVRHSLYABP-CVEARBPZSA-N 1 0 261.413 2.333 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C(C)C)CN1CCc1cccnc1 ZINC000086171873 179243168 /nfs/dbraw/zinc/24/31/68/179243168.db2.gz FPJANBHHRRPACN-CVEARBPZSA-N 1 0 261.413 2.333 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C(C)C)CN1Cc1cc(C)on1 ZINC000086173890 179244333 /nfs/dbraw/zinc/24/43/33/179244333.db2.gz APTFYSLNTKKCIN-UONOGXRCSA-N 1 0 251.374 2.191 10 0 CEAERO Cc1csc(CCN2C[C@@H](C(C)C)[NH2+]C[C@@H]2C)n1 ZINC000086175399 179245288 /nfs/dbraw/zinc/24/52/88/179245288.db2.gz FYHCRQWKZAGWFG-STQMWFEESA-N 1 0 267.442 2.312 10 0 CEAERO CC(C)[C@@H]1CN(CCc2nccs2)[C@@H](C)C[NH2+]1 ZINC000086175423 179245334 /nfs/dbraw/zinc/24/53/34/179245334.db2.gz HRBGAARETARSFX-RYUDHWBXSA-N 1 0 253.415 2.004 10 0 CEAERO C[C@H]1CN(CCc2cc(F)cc(F)c2)[C@@H](C)C[NH2+]1 ZINC000086174805 179245382 /nfs/dbraw/zinc/24/53/82/179245382.db2.gz JBFODKXXSJXJKB-QWRGUYRKSA-N 1 0 254.324 2.190 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(Cc2nccn2C)[C@H](C(C)C)C[NH2+]1 ZINC000086175568 179245432 /nfs/dbraw/zinc/24/54/32/179245432.db2.gz BQYYNBVYBDMJBW-ILXRZTDVSA-N 1 0 278.444 2.265 10 0 CEAERO CC[C@H](C)[C@H]1CN(Cc2nccn2C)[C@H](C(C)C)C[NH2+]1 ZINC000086175571 179245441 /nfs/dbraw/zinc/24/54/41/179245441.db2.gz BQYYNBVYBDMJBW-ZNMIVQPWSA-N 1 0 278.444 2.265 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C(C)C)CN1CCc1nccs1 ZINC000086175404 179245675 /nfs/dbraw/zinc/24/56/75/179245675.db2.gz UARHDDNRDYZDCA-OLZOCXBDSA-N 1 0 267.442 2.394 10 0 CEAERO CC(=O)N[C@H]1CCC[N@@H+]([C@H]2C=CCCCCC2)C1 ZINC000606432938 347471400 /nfs/dbraw/zinc/47/14/00/347471400.db2.gz ZDCJPRGLZKASEI-GJZGRUSLSA-N 1 0 250.386 2.476 10 0 CEAERO c1nc(CCN2CC[NH2+]C[C@@H]2c2ccccc2)cs1 ZINC000086177860 179246688 /nfs/dbraw/zinc/24/66/88/179246688.db2.gz CTXXDPIMYUEADK-OAHLLOKOSA-N 1 0 273.405 2.332 10 0 CEAERO CC[C@H](C)[C@@H]1CN(Cc2scnc2C)CC[NH2+]1 ZINC000086149022 179239477 /nfs/dbraw/zinc/23/94/77/179239477.db2.gz LFPIALJXXNUOEU-JQWIXIFHSA-N 1 0 253.415 2.271 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)c1nsnc1Cl ZINC000086189848 179247965 /nfs/dbraw/zinc/24/79/65/179247965.db2.gz AGLJLEGCBNKBDQ-QMMMGPOBSA-N 1 0 260.794 2.112 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1c1cnn(C)c1 ZINC000086218296 179249796 /nfs/dbraw/zinc/24/97/96/179249796.db2.gz WGQKUBSYCFXKPP-DGCLKSJQSA-N 1 0 250.390 2.023 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](CC(C)C)CN1c1cnn(C)c1 ZINC000086218375 179250114 /nfs/dbraw/zinc/25/01/14/179250114.db2.gz SDHFEWFQRQTMER-STQMWFEESA-N 1 0 250.390 2.023 10 0 CEAERO Cn1cc([C@H]2CC[N@H+](Cc3cnn(C(C)(C)C)c3)C2)cn1 ZINC000128546207 187376997 /nfs/dbraw/zinc/37/69/97/187376997.db2.gz ZMNGXXBERLFRNX-AWEZNQCLSA-N 1 0 287.411 2.361 10 0 CEAERO CC[C@H]1CNC(CC)(CC)C[N@@H+]1C1CCOCC1 ZINC000086218773 179250916 /nfs/dbraw/zinc/25/09/16/179250916.db2.gz JJWHEJTZZQRFNR-ZDUSSCGKSA-N 1 0 254.418 2.408 10 0 CEAERO C[C@H]1C[NH2+][C@](C)(C2CC2)CN1CCc1ccccn1 ZINC000086221437 179251005 /nfs/dbraw/zinc/25/10/05/179251005.db2.gz OPZXTHZIMUYOGY-BBRMVZONSA-N 1 0 259.397 2.087 10 0 CEAERO [NH3+]C[C@@H]1CC[C@H](Nc2cncc(Br)c2)C1 ZINC000335579849 232711376 /nfs/dbraw/zinc/71/13/76/232711376.db2.gz JKCJUPBQIOKWMD-SCZZXKLOSA-N 1 0 270.174 2.383 10 0 CEAERO OC[C@H]1CCCC[C@H]1[NH2+]Cc1[nH]nc2ccccc21 ZINC000606914245 347500791 /nfs/dbraw/zinc/50/07/91/347500791.db2.gz SIKQHKDYKGZQMB-DGCLKSJQSA-N 1 0 259.353 2.204 10 0 CEAERO CC[C@H]1C[NH2+]C(CC)(CC)CN1Cc1nc(C)no1 ZINC000086260276 179259115 /nfs/dbraw/zinc/25/91/15/179259115.db2.gz IQPKQYFXECLLOL-LBPRGKRZSA-N 1 0 266.389 2.121 10 0 CEAERO Cc1cc(CN2C[C@@H](CC(C)C)[NH2+]C[C@@H]2C)no1 ZINC000086259826 179259576 /nfs/dbraw/zinc/25/95/76/179259576.db2.gz JYXDLTVLODSRAS-WCQYABFASA-N 1 0 251.374 2.191 10 0 CEAERO CO[C@H]1CCC[C@H]1N1C[C@@H](CC(C)C)[NH2+]C[C@@H]1C ZINC000086261370 179259967 /nfs/dbraw/zinc/25/99/67/179259967.db2.gz GVQSNLWRQRGDNX-YJNKXOJESA-N 1 0 254.418 2.262 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C2CC2)CN1Cc1cccc(C)n1 ZINC000086261749 179260254 /nfs/dbraw/zinc/26/02/54/179260254.db2.gz RGQQUDPUUASEHU-HZPDHXFCSA-N 1 0 259.397 2.352 10 0 CEAERO COCC[C@H](C)[N@@H+]1C[C@@H](c2ccccc2)NC[C@@H]1C ZINC000086268058 179261670 /nfs/dbraw/zinc/26/16/70/179261670.db2.gz KJBQYXCABFKVNB-DZKIICNBSA-N 1 0 262.397 2.446 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C2CC2)CN1CCOC1CCCC1 ZINC000086265676 179261753 /nfs/dbraw/zinc/26/17/53/179261753.db2.gz FJBATFAKGZHABY-HOCLYGCPSA-N 1 0 266.429 2.408 10 0 CEAERO C[C@@H](c1nccs1)N1C[C@H](C2CC2)[NH2+]C[C@@H]1C ZINC000086267836 179261793 /nfs/dbraw/zinc/26/17/93/179261793.db2.gz AZEGSTSMAPPOQO-JBLDHEPKSA-N 1 0 251.399 2.276 10 0 CEAERO C[C@H]1C[NH2+][C@@H](C2CC2)CN1[C@@H]1COc2ccccc21 ZINC000086267136 179261871 /nfs/dbraw/zinc/26/18/71/179261871.db2.gz YJEVDYISORFEMW-NILFDRSVSA-N 1 0 258.365 2.192 10 0 CEAERO CC[C@H]1CN(CCc2cscn2)[C@H](C(C)C)C[NH2+]1 ZINC000086265590 179262200 /nfs/dbraw/zinc/26/22/00/179262200.db2.gz JYZHEBZWWOPLHQ-JSGCOSHPSA-N 1 0 267.442 2.394 10 0 CEAERO CC[C@H]1CN[C@](C)(C2CC2)C[N@@H+]1[C@@H](C)CCOC ZINC000086268068 179262394 /nfs/dbraw/zinc/26/23/94/179262394.db2.gz OUDFZEIVKIMHNZ-QEJZJMRPSA-N 1 0 254.418 2.264 10 0 CEAERO Brc1csc(OCC[NH+]2CCCC2)n1 ZINC000086278598 179262702 /nfs/dbraw/zinc/26/27/02/179262702.db2.gz RXGMSEGXJGFJHO-UHFFFAOYSA-N 1 0 277.187 2.380 10 0 CEAERO CC[C@H](C)[C@H]1CN(c2cnn(CC)c2)CCC[NH2+]1 ZINC000086287185 179265012 /nfs/dbraw/zinc/26/50/12/179265012.db2.gz VAOOUMXCYDTVFR-GXTWGEPZSA-N 1 0 250.390 2.117 10 0 CEAERO C[C@H]1CC[C@@H](C[NH3+])CN1c1nc(Br)cs1 ZINC000086290931 179265356 /nfs/dbraw/zinc/26/53/56/179265356.db2.gz WKQXYAVYHXRBNT-YUMQZZPRSA-N 1 0 290.230 2.469 10 0 CEAERO [NH3+]C[C@H]1OCCN(C2CC2)[C@@H]1c1ccc2ccccc2n1 ZINC000086317402 179270300 /nfs/dbraw/zinc/27/03/00/179270300.db2.gz DGPUOVVIKJRWBF-IAGOWNOFSA-N 1 0 283.375 2.098 10 0 CEAERO CC(C)N1C(=O)C[C@@H]([NH3+])[C@@H]1c1ccc2ccccc2n1 ZINC000086317446 179270453 /nfs/dbraw/zinc/27/04/53/179270453.db2.gz CKPKBXQTHCMTHH-MLGOLLRUSA-N 1 0 269.348 2.244 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1c1nc(Br)cs1 ZINC000086291043 179265768 /nfs/dbraw/zinc/26/57/68/179265768.db2.gz IJPBSMWQSAMVQM-MRVPVSSYSA-N 1 0 290.230 2.436 10 0 CEAERO CC[C@](C)([NH3+])COc1nc(Br)cs1 ZINC000086291752 179266130 /nfs/dbraw/zinc/26/61/30/179266130.db2.gz WDIGVCZQOXKRRP-QMMMGPOBSA-N 1 0 265.176 2.412 10 0 CEAERO COc1cc(CN2CCC[NH2+][C@@H](C(C)(C)C)C2)ccn1 ZINC000086296361 179267311 /nfs/dbraw/zinc/26/73/11/179267311.db2.gz HBGLVQAQMRHCGX-CQSZACIVSA-N 1 0 277.412 2.300 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(Cc2cscn2)CCC[NH2+]1 ZINC000086297826 179267886 /nfs/dbraw/zinc/26/78/86/179267886.db2.gz CRIIXMFGYRLHEE-YPMHNXCESA-N 1 0 253.415 2.353 10 0 CEAERO CCC[C@@H]1CN(C[C@@H]2Cc3ccccc3O2)CCC[NH2+]1 ZINC000086293850 179268081 /nfs/dbraw/zinc/26/80/81/179268081.db2.gz RBMJTKYIAVYNDE-CVEARBPZSA-N 1 0 274.408 2.454 10 0 CEAERO CC[NH2+][C@@H]1CCCc2sc(N3CCOC[C@@H]3C)nc21 ZINC000086442741 179293401 /nfs/dbraw/zinc/29/34/01/179293401.db2.gz NTYGFRGVNMLBMK-WDEREUQCSA-N 1 0 281.425 2.355 10 0 CEAERO CN(c1nc2c(s1)CCC[C@@H]2[NH3+])C1CCOCC1 ZINC000086442926 179293641 /nfs/dbraw/zinc/29/36/41/179293641.db2.gz OOTLPKQQQWUOMP-JTQLQIEISA-N 1 0 267.398 2.094 10 0 CEAERO O[C@H]1CCCc2sc(N3CC[C@@H]([NH+]4CCCC4)C3)nc21 ZINC000086444785 179294896 /nfs/dbraw/zinc/29/48/96/179294896.db2.gz WTXHEETVVVNLEM-NEPJUHHUSA-N 1 0 293.436 2.187 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)c1cccn1C1CC1 ZINC000086448007 179295423 /nfs/dbraw/zinc/29/54/23/179295423.db2.gz OYIONLMISIKOSZ-QWHCGFSZSA-N 1 0 275.396 2.426 10 0 CEAERO C[C@@]1(c2nc([C@@H]3Cc4ccccc43)no2)CCC[NH2+]C1 ZINC000086486395 179301641 /nfs/dbraw/zinc/30/16/41/179301641.db2.gz BQIVJKJRBOGXDO-CZUORRHYSA-N 1 0 269.348 2.399 10 0 CEAERO CC[NH2+]C[C@@H](C)c1nc([C@@H]2Cc3ccccc32)no1 ZINC000086486288 179302090 /nfs/dbraw/zinc/30/20/90/179302090.db2.gz IQHYSANZFFFGHH-ZWNOBZJWSA-N 1 0 257.337 2.471 10 0 CEAERO CC[C@H](Cc1nc([C@H]2Cc3ccccc32)no1)[NH2+]C ZINC000086492132 179302408 /nfs/dbraw/zinc/30/24/08/179302408.db2.gz JBIMLTRPQHRNOP-YPMHNXCESA-N 1 0 257.337 2.298 10 0 CEAERO COC(OC)[C@H]([NH3+])Cc1cc(F)ccc1Br ZINC000086451662 179296355 /nfs/dbraw/zinc/29/63/55/179296355.db2.gz ONBYPPDOZSLNLO-SNVBAGLBSA-N 1 0 292.148 2.077 10 0 CEAERO CN1C(=[NH2+])NC[C@@]1(C)c1ccc(Cl)cc1Cl ZINC000086458882 179296572 /nfs/dbraw/zinc/29/65/72/179296572.db2.gz IDWDGSGXKZISLF-NSHDSACASA-N 1 0 258.152 2.469 10 0 CEAERO CC(C)C[NH2+]CC1(S(C)(=O)=O)CC2(C1)CCCC2 ZINC000086523444 179305837 /nfs/dbraw/zinc/30/58/37/179305837.db2.gz MCFIWJWYVJNBFM-UHFFFAOYSA-N 1 0 273.442 2.370 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCC2(CCC2)CC1 ZINC000308697138 539577589 /nfs/dbraw/zinc/57/75/89/539577589.db2.gz NGKKLBZZYSWHKT-QWHCGFSZSA-N 1 0 250.386 2.154 10 0 CEAERO [NH3+][C@]1(Cc2ccc(OC(F)(F)F)cc2)CCOC1 ZINC000086567433 179307623 /nfs/dbraw/zinc/30/76/23/179307623.db2.gz ULTYTTUGAIKPPY-NSHDSACASA-N 1 0 261.243 2.246 10 0 CEAERO CCS(=O)(=O)CC[C@H]([NH3+])Cc1ccccc1Cl ZINC000086568049 179307993 /nfs/dbraw/zinc/30/79/93/179307993.db2.gz OPKIOPGVIREANA-NSHDSACASA-N 1 0 275.801 2.035 10 0 CEAERO COc1ccc(Br)cc1C[C@@H]([NH3+])[C@@H](C)OC ZINC000086576323 179308417 /nfs/dbraw/zinc/30/84/17/179308417.db2.gz DDSCDZGXLGAJEV-LDYMZIIASA-N 1 0 288.185 2.362 10 0 CEAERO COc1ccc(Br)c(C[C@H]([NH3+])[C@H](C)OC)c1 ZINC000086576227 179308796 /nfs/dbraw/zinc/30/87/96/179308796.db2.gz QXKBWEPLVVOPKX-UFBFGSQYSA-N 1 0 288.185 2.362 10 0 CEAERO CCN1CC[C@H]([NH3+])[C@@H]1c1ccc(OC)c(Cl)c1 ZINC000086585191 179309900 /nfs/dbraw/zinc/30/99/00/179309900.db2.gz VKWFYZGNJBHECR-AAEUAGOBSA-N 1 0 254.761 2.443 10 0 CEAERO COCCN1CCC[C@H]([NH3+])[C@@H]1c1ccc(OC)c(Cl)c1 ZINC000086585188 179310350 /nfs/dbraw/zinc/31/03/50/179310350.db2.gz XBOJJGQPLRCGNM-ZFWWWQNUSA-N 1 0 298.814 2.459 10 0 CEAERO CCC(CC)(CC)NC(=O)[C@H]1CCCN1C1CC[NH2+]CC1 ZINC000086643058 179315935 /nfs/dbraw/zinc/31/59/35/179315935.db2.gz UTFBGBOAKHUAOY-OAHLLOKOSA-N 1 0 295.471 2.288 10 0 CEAERO COc1ccc(OC)c([C@@H]2C[NH2+]C[C@@H](C)CO2)c1 ZINC000086633982 179315191 /nfs/dbraw/zinc/31/51/91/179315191.db2.gz ZCKCCSHACJWGMD-YGRLFVJLSA-N 1 0 251.326 2.001 10 0 CEAERO CCCn1c2ccc(C[NH3+])cc2nc1-c1cn[nH]c1 ZINC000086641312 179315289 /nfs/dbraw/zinc/31/52/89/179315289.db2.gz ZOZKFBYPUYBWSZ-UHFFFAOYSA-N 1 0 255.325 2.295 10 0 CEAERO [NH3+][C@H](Cc1cc(F)cc(Br)c1)[C@H]1CCOC1 ZINC000086696349 179320495 /nfs/dbraw/zinc/32/04/95/179320495.db2.gz DPCCEXIGQHSXOG-JOYOIKCWSA-N 1 0 288.160 2.495 10 0 CEAERO C[NH+](C)C(C)(C)COc1ncc(N)cc1Br ZINC000086657964 179316426 /nfs/dbraw/zinc/31/64/26/179316426.db2.gz XDXABCFYILYXCW-UHFFFAOYSA-N 1 0 288.189 2.145 10 0 CEAERO C[NH2+][C@](C)(CO)C[C@H](C)Sc1nc(C)c(C)c(C)n1 ZINC000086646836 179316633 /nfs/dbraw/zinc/31/66/33/179316633.db2.gz ZEEQNLBRRQCZJV-XPTSAGLGSA-N 1 0 283.441 2.243 10 0 CEAERO CC1CCC([NH2+][C@H]2CCC[C@H]2S(C)(=O)=O)CC1 ZINC000086670431 179316889 /nfs/dbraw/zinc/31/68/89/179316889.db2.gz SGPLGRGZCABPCE-IFWUJCSASA-N 1 0 259.415 2.120 10 0 CEAERO CC(C)CC[C@H](C)[NH2+][C@H]1CCC[C@@H]1S(C)(=O)=O ZINC000086671077 179317614 /nfs/dbraw/zinc/31/76/14/179317614.db2.gz VWGNJRWLQTUGNM-AVGNSLFASA-N 1 0 261.431 2.366 10 0 CEAERO COc1cccc([C@H](C)[NH2+][C@H]2CCC[C@@H]2S(C)(=O)=O)c1 ZINC000086674893 179318423 /nfs/dbraw/zinc/31/84/23/179318423.db2.gz UWZXDVXQLNRFPH-CQDKDKBSSA-N 1 0 297.420 2.312 10 0 CEAERO CCN1CC[C@H]([NH2+][C@@H](C)Cc2ccccc2OC)C1 ZINC000336895067 365939180 /nfs/dbraw/zinc/93/91/80/365939180.db2.gz MKAJNEGXFQPIKD-ZFWWWQNUSA-N 1 0 262.397 2.310 10 0 CEAERO Cc1cccc(CC[NH2+][C@H]2CCC[C@H]2S(C)(=O)=O)c1 ZINC000086675839 179319583 /nfs/dbraw/zinc/31/95/83/179319583.db2.gz DGHKEQNESBOHND-LSDHHAIUSA-N 1 0 281.421 2.093 10 0 CEAERO CCCNC(=O)[C@@H](C)OC1(C[NH3+])CCC(CC)CC1 ZINC000086713139 179322997 /nfs/dbraw/zinc/32/29/97/179322997.db2.gz MCXPUXUDRQNRQO-DNOWBOINSA-N 1 0 270.417 2.215 10 0 CEAERO CC[C@]1(C(=O)[O-])CC[N@@H+](C2CC[NH+](C(C)C)CC2)C1 ZINC000086781230 179331126 /nfs/dbraw/zinc/33/11/26/179331126.db2.gz WEXOJYWBYNDHLZ-HNNXBMFYSA-N 1 0 268.401 2.046 10 0 CEAERO COc1ccc([C@]2(O)CCC[N@H+](C)CC2)cc1F ZINC000086834057 179349917 /nfs/dbraw/zinc/34/99/17/179349917.db2.gz YMMSZKWVMZZOKH-AWEZNQCLSA-N 1 0 253.317 2.138 10 0 CEAERO CC(C)[N@@H+]1CCC[C@@H](N[C@@H](C)c2nnc3n2CCC3)CC1 ZINC000086840398 179351585 /nfs/dbraw/zinc/35/15/85/179351585.db2.gz GWECIKCHUIDIPE-UONOGXRCSA-N 1 0 291.443 2.138 10 0 CEAERO Cc1cnc(CN[C@H]2CCC[N@@H+](C(C)C)CC2)cn1 ZINC000086844440 179354870 /nfs/dbraw/zinc/35/48/70/179354870.db2.gz CCEWWUYOORLCAE-AWEZNQCLSA-N 1 0 262.401 2.138 10 0 CEAERO CC[N@@H+]1CCC[C@](CO)(Nc2cccc(OC)c2)CC1 ZINC000086868133 179361003 /nfs/dbraw/zinc/36/10/03/179361003.db2.gz QOHJYSUVVMXRRV-INIZCTEOSA-N 1 0 278.396 2.344 10 0 CEAERO CC(C)[N@H+](CCC(=O)[O-])[C@H]1CCC[NH+](C(C)C)CC1 ZINC000086868770 179361307 /nfs/dbraw/zinc/36/13/07/179361307.db2.gz LVWSFDGPCROOLE-AWEZNQCLSA-N 1 0 270.417 2.434 10 0 CEAERO CC[N@@H+]1CCC[C@@H]([NH+](CCCC(=O)[O-])C(C)C)CC1 ZINC000086868774 179361885 /nfs/dbraw/zinc/36/18/85/179361885.db2.gz QLZYACQGWUGCHJ-CQSZACIVSA-N 1 0 270.417 2.436 10 0 CEAERO Cc1ccc(-c2nc([C@@H](C)N3CC[NH2+]CC3)no2)s1 ZINC000104065448 185891055 /nfs/dbraw/zinc/89/10/55/185891055.db2.gz RFWOIGBSZWEOMG-SNVBAGLBSA-N 1 0 278.381 2.073 10 0 CEAERO C[NH2+][C@H]1CCCC[C@H]1c1nc(C[C@@H]2CCCO2)no1 ZINC000104070171 185891836 /nfs/dbraw/zinc/89/18/36/185891836.db2.gz ZOPDLMYUDFPJFB-TUAOUCFPSA-N 1 0 265.357 2.037 10 0 CEAERO CC(C)[N@@H+]1CCC[C@@H]([NH+]2CCC[C@@]2(C)C(=O)[O-])CC1 ZINC000086869352 179363723 /nfs/dbraw/zinc/36/37/23/179363723.db2.gz GHYRMHFZSRXUAK-HIFRSBDPSA-N 1 0 268.401 2.188 10 0 CEAERO C[C@H](c1nc(C(F)(F)F)cs1)N1CC[NH2+]CC1 ZINC000104069808 185892029 /nfs/dbraw/zinc/89/20/29/185892029.db2.gz ADNMPWFUHUMZBZ-SSDOTTSWSA-N 1 0 265.304 2.128 10 0 CEAERO CCC[N@@H+]1CCC[C@](O)(c2cc(Cl)cnc2N)CC1 ZINC000086852817 179359332 /nfs/dbraw/zinc/35/93/32/179359332.db2.gz GPWGFWKPTUHJPA-CQSZACIVSA-N 1 0 283.803 2.401 10 0 CEAERO CCS(=O)(=O)CCC[C@@](C)([NH3+])Cc1ccc(OC)cc1 ZINC000086977448 179372798 /nfs/dbraw/zinc/37/27/98/179372798.db2.gz YHPPMYCQSOZUEQ-OAHLLOKOSA-N 1 0 299.436 2.170 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH3+])c1nccc2ccccc21 ZINC000086979732 179372965 /nfs/dbraw/zinc/37/29/65/179372965.db2.gz MBVFXXJKOLAKNP-AWEZNQCLSA-N 1 0 292.404 2.450 10 0 CEAERO CCC[NH2+]C[C@H](CCCS(=O)(=O)CC)C(C)C ZINC000086980837 179372972 /nfs/dbraw/zinc/37/29/72/179372972.db2.gz HAOUPONRDIORLA-ZDUSSCGKSA-N 1 0 263.447 2.473 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH2+]C)c1ccccc1F ZINC000086979549 179373214 /nfs/dbraw/zinc/37/32/14/179373214.db2.gz BCBQZEPKVLSQTF-ZDUSSCGKSA-N 1 0 273.373 2.301 10 0 CEAERO C[C@@H]1CCC[C@](C[NH3+])(N(C)Cc2nccn2C)CC1 ZINC000086891363 179366579 /nfs/dbraw/zinc/36/65/79/179366579.db2.gz GGXAYXQRJJEZGX-HIFRSBDPSA-N 1 0 264.417 2.150 10 0 CEAERO CC1(C)CCC[C@](C(=O)[O-])([N@@H+]2CCC[NH2+]CC2)CC1 ZINC000086915566 179366875 /nfs/dbraw/zinc/36/68/75/179366875.db2.gz BGKLQKYBERMHMP-HNNXBMFYSA-N 1 0 268.401 2.095 10 0 CEAERO CCC[C@@H]1CCC[C@@]([NH2+]C[C@@H]2CCCO2)(C(N)=O)CC1 ZINC000086949349 179368349 /nfs/dbraw/zinc/36/83/49/179368349.db2.gz OPBDMUBVOJBMBK-YCPHGPKFSA-N 1 0 282.428 2.360 10 0 CEAERO CCC[C@@H]1CCC[C@](C(=O)OC)(N2CC[NH2+]CC2)CC1 ZINC000086949869 179368803 /nfs/dbraw/zinc/36/88/03/179368803.db2.gz QTWJFIXWXPRQIW-ZBFHGGJFSA-N 1 0 282.428 2.184 10 0 CEAERO COCCC[C@H]([NH3+])Cc1ncc(C)c(OC)c1C ZINC000086963641 179369633 /nfs/dbraw/zinc/36/96/33/179369633.db2.gz BWKQSQUWDNMCDN-LBPRGKRZSA-N 1 0 252.358 2.003 10 0 CEAERO C[NH2+][C@H](CCCOC)c1ccc(OC)cc1OC ZINC000086969916 179370654 /nfs/dbraw/zinc/37/06/54/179370654.db2.gz ATSIVHICOUHGFA-CYBMUJFWSA-N 1 0 253.342 2.391 10 0 CEAERO CC[NH2+][C@@H]1CCCC[C@@H]1CCCS(=O)(=O)CC ZINC000086976289 179371829 /nfs/dbraw/zinc/37/18/29/179371829.db2.gz FAZLODIPWDVVQD-CHWSQXEVSA-N 1 0 261.431 2.370 10 0 CEAERO Cc1nc([C@@H]2CSCCS2)ncc1[C@H](C)[NH3+] ZINC000086985383 179373968 /nfs/dbraw/zinc/37/39/68/179373968.db2.gz DMKRGEOXHNWWIM-XVKPBYJWSA-N 1 0 255.412 2.326 10 0 CEAERO OC1(C[NH2+][C@H]2CCN(CCc3ccccc3)C2)CCCC1 ZINC000087016462 179380708 /nfs/dbraw/zinc/38/07/08/179380708.db2.gz JFAZCUIFCSODCN-KRWDZBQOSA-N 1 0 288.435 2.198 10 0 CEAERO CC[C@@](C)(O)CNC(=O)CC[C@H](CC[NH3+])C(C)(C)C ZINC000087027123 179381652 /nfs/dbraw/zinc/38/16/52/179381652.db2.gz JTXJGRAGVHDAMI-IUODEOHRSA-N 1 0 272.433 2.055 10 0 CEAERO CCC(O)(CC)C[NH2+]C[C@H](O)CO[C@@H]1CCCC[C@@H]1C ZINC000087028350 179381738 /nfs/dbraw/zinc/38/17/38/179381738.db2.gz VZBWYMYEECYOOU-SOUVJXGZSA-N 1 0 287.444 2.083 10 0 CEAERO c1nc([C@H]2CSCCO2)sc1C[NH2+]C1CC1 ZINC000086989831 179374839 /nfs/dbraw/zinc/37/48/39/179374839.db2.gz BJFLZILKOMJUNP-SNVBAGLBSA-N 1 0 256.396 2.200 10 0 CEAERO COCC1CCN([C@@H](C[NH3+])c2ccc(OC)c(F)c2)CC1 ZINC000086992352 179375261 /nfs/dbraw/zinc/37/52/61/179375261.db2.gz PSPSWUFRQOQTAT-HNNXBMFYSA-N 1 0 296.386 2.193 10 0 CEAERO COc1ccc([C@@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1F ZINC000086992144 179375406 /nfs/dbraw/zinc/37/54/06/179375406.db2.gz FVPCGXLGTFNUPV-GOEBONIOSA-N 1 0 275.323 2.438 10 0 CEAERO COc1ccc([C@H]2[C@@H]([NH3+])CC(=O)N2CC(C)C)cc1F ZINC000086995288 179375967 /nfs/dbraw/zinc/37/59/67/179375967.db2.gz ARWQQVVLXGJVPO-WFASDCNBSA-N 1 0 280.343 2.091 10 0 CEAERO CCCN(C(=O)c1c(F)cc(F)cc1F)[C@H]1CC[NH2+]C1 ZINC000086996254 179377012 /nfs/dbraw/zinc/37/70/12/179377012.db2.gz IGQJKHIIGDEHHS-JTQLQIEISA-N 1 0 286.297 2.318 10 0 CEAERO [NH3+]CCC[C@@H]1CCCN1C(=O)c1c(F)cc(F)cc1F ZINC000086998956 179378172 /nfs/dbraw/zinc/37/81/72/179378172.db2.gz PBWZPOVSSANGCC-SNVBAGLBSA-N 1 0 286.297 2.447 10 0 CEAERO CC1CCC(O)(C[NH2+]C[C@](C)(O)c2ccccc2)CC1 ZINC000087062939 179389247 /nfs/dbraw/zinc/38/92/47/179389247.db2.gz WNWZRPOCEOENOS-WIHSUSGWSA-N 1 0 277.408 2.425 10 0 CEAERO Cc1nc[nH]c1C[NH2+]CC1(O)CCC(C)(C)CC1 ZINC000087048217 179388379 /nfs/dbraw/zinc/38/83/79/179388379.db2.gz IRQNSIAHWIVWDK-UHFFFAOYSA-N 1 0 251.374 2.139 10 0 CEAERO CCCCCCOC[C@H](O)C[NH2+]CC1(O)CCCCC1 ZINC000087029152 179382346 /nfs/dbraw/zinc/38/23/46/179382346.db2.gz DSTRVTZIZJAFBX-OAHLLOKOSA-N 1 0 287.444 2.229 10 0 CEAERO CC[C@@H]1C[NH2+]C[C@](C)(Cc2ccc(OC)c(OC)c2)O1 ZINC000087090228 179394269 /nfs/dbraw/zinc/39/42/69/179394269.db2.gz VRRKSFRNKFXELL-CJNGLKHVSA-N 1 0 279.380 2.403 10 0 CEAERO CC[C@H]1C[NH2+]C[C@@H](c2cc(OC)ccc2OC)O1 ZINC000087090351 179394394 /nfs/dbraw/zinc/39/43/94/179394394.db2.gz ZUGQZOAYRPUSMD-HZMBPMFUSA-N 1 0 251.326 2.143 10 0 CEAERO C[C@@H](c1nc(CSC(C)(C)C)no1)N1CC[NH2+]CC1 ZINC000087115825 179395395 /nfs/dbraw/zinc/39/53/95/179395395.db2.gz YCHRDJVVVSLBCX-JTQLQIEISA-N 1 0 284.429 2.068 10 0 CEAERO CCC1CCC(O)(C[NH2+][C@H]2CCO[C@H](C)C2)CC1 ZINC000087061422 179389563 /nfs/dbraw/zinc/38/95/63/179389563.db2.gz ZSQGZYLHYUMSQJ-JLVJUDLZSA-N 1 0 255.402 2.475 10 0 CEAERO C[C@@H]1CCC[C@](O)(C[NH2+]CC2(O)CCCCC2)C1 ZINC000087065427 179390121 /nfs/dbraw/zinc/39/01/21/179390121.db2.gz XWFKXZZIPFIHKL-UKRRQHHQSA-N 1 0 255.402 2.212 10 0 CEAERO CCC1CCC(O)(C[NH2+]C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC000087066141 179390585 /nfs/dbraw/zinc/39/05/85/179390585.db2.gz BVAUBAFMHYWUDA-AQFXKWCLSA-N 1 0 298.471 2.017 10 0 CEAERO C[C@@H]1CCC[C@]([NH3+])(C(=O)NCC2(O)CCCCCC2)C1 ZINC000087089878 179393628 /nfs/dbraw/zinc/39/36/28/179393628.db2.gz ZUACLUATXFYIKD-CZUORRHYSA-N 1 0 282.428 2.096 10 0 CEAERO CC[C@@H](C)SC[C@H](Cc1cnccc1N)[NH2+]C ZINC000087135884 179396642 /nfs/dbraw/zinc/39/66/42/179396642.db2.gz SNGNJQYZMHSWKZ-PWSUYJOCSA-N 1 0 253.415 2.326 10 0 CEAERO CCS(=O)(=O)CCC[C@H](CSC1CCCC1)[NH2+]C ZINC000087144616 179397439 /nfs/dbraw/zinc/39/74/39/179397439.db2.gz COFHQLLUBBYGSZ-GFCCVEGCSA-N 1 0 293.498 2.465 10 0 CEAERO CC[C@@H](C)SCc1ncc(C[NH2+]CCOC)[nH]1 ZINC000087140363 179397582 /nfs/dbraw/zinc/39/75/82/179397582.db2.gz MRWDUOVHBGCYJT-SNVBAGLBSA-N 1 0 257.403 2.177 10 0 CEAERO Cn1c2ccccc2nc1N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228553330 282605715 /nfs/dbraw/zinc/60/57/15/282605715.db2.gz CLMAELFXFBXVLJ-YNEHKIRRSA-N 1 0 270.380 2.137 10 0 CEAERO C[C@H]1CC[NH2+][C@H](C(=O)N2CCC(c3nccs3)CC2)C1 ZINC000335600311 212312693 /nfs/dbraw/zinc/31/26/93/212312693.db2.gz IXUDXEAUYTZOKE-AAEUAGOBSA-N 1 0 293.436 2.237 10 0 CEAERO CC[C@H]([NH3+])Cc1cnn(CCC[C@@H]2CCCO2)c1 ZINC000087277370 179407338 /nfs/dbraw/zinc/40/73/38/179407338.db2.gz DKRFPWRCYXEKTQ-UONOGXRCSA-N 1 0 251.374 2.122 10 0 CEAERO CC(C)[C@@H](C[NH3+])NC(=O)Cc1ccc2ccccc2c1 ZINC000087403361 179419361 /nfs/dbraw/zinc/41/93/61/179419361.db2.gz MGMPRJLDDVENQQ-MRXNPFEDSA-N 1 0 270.376 2.482 10 0 CEAERO CC(C)c1nnsc1C(=O)N1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000087442833 179426450 /nfs/dbraw/zinc/42/64/50/179426450.db2.gz VVVOSLDPNGUHQF-GHMZBOCLSA-N 1 0 294.424 2.018 10 0 CEAERO Cc1cc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)ccc1Cl ZINC000130443582 365956997 /nfs/dbraw/zinc/95/69/97/365956997.db2.gz HGJBCBXOAPBLPY-CYBMUJFWSA-N 1 0 296.798 2.051 10 0 CEAERO COCc1ccccc1CNC(=O)C(C)(C)C(C)(C)[NH3+] ZINC000087627799 179458986 /nfs/dbraw/zinc/45/89/86/179458986.db2.gz JYXGWLGFAXQMHZ-UHFFFAOYSA-N 1 0 278.396 2.213 10 0 CEAERO COc1ncccc1NC(=O)[C@@H](C)CCC[C@H](C)[NH3+] ZINC000087693989 179471215 /nfs/dbraw/zinc/47/12/15/179471215.db2.gz JYFCWHYHQZATHN-QWRGUYRKSA-N 1 0 265.357 2.182 10 0 CEAERO C[C@H](CCC[C@H](C)[NH3+])C(=O)NCC1(O)CCCCCC1 ZINC000087704293 179473521 /nfs/dbraw/zinc/47/35/21/179473521.db2.gz RCPYGEHGVRXVLX-KGLIPLIRSA-N 1 0 284.444 2.342 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)N[C@@H](C)Cc1c(F)cccc1F ZINC000087523401 179440151 /nfs/dbraw/zinc/44/01/51/179440151.db2.gz VEXHHRGYVXKIGX-QWRGUYRKSA-N 1 0 284.350 2.387 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)Nc1cccc(COCCOC)c1 ZINC000087523209 179440152 /nfs/dbraw/zinc/44/01/52/179440152.db2.gz ODJOCAVFXZPQKM-CQSZACIVSA-N 1 0 294.395 2.163 10 0 CEAERO CC[C@H](C[NH3+])c1nc(-c2c(C)nn(CC)c2C)c[nH]1 ZINC000087536740 179442405 /nfs/dbraw/zinc/44/24/05/179442405.db2.gz FUDAYQAPDICBOJ-LLVKDONJSA-N 1 0 261.373 2.362 10 0 CEAERO Cc1nn(C)c(C[C@H]([NH3+])C2(C)CC2)c1Br ZINC000087551375 179445482 /nfs/dbraw/zinc/44/54/82/179445482.db2.gz NKBGDIAZFYQPLO-VIFPVBQESA-N 1 0 272.190 2.161 10 0 CEAERO CC(C)[C@H](CC[NH3+])CCc1nc([C@@H]2CCOC2)no1 ZINC000087804064 179489040 /nfs/dbraw/zinc/48/90/40/179489040.db2.gz LUFIFBSMKYVCJS-NWDGAFQWSA-N 1 0 267.373 2.127 10 0 CEAERO OCC[N@@H+]1CCC[C@H](c2ccc3nnccc3c2)CC1 ZINC000616627102 348539265 /nfs/dbraw/zinc/53/92/65/348539265.db2.gz CTFCSLDGPIXTCD-ZDUSSCGKSA-N 1 0 271.364 2.192 10 0 CEAERO [NH3+]CCN1CCCC[C@@H]1c1cccc2nnccc21 ZINC000616626681 348539354 /nfs/dbraw/zinc/53/93/54/348539354.db2.gz VHCFDWWNYCNQOB-OAHLLOKOSA-N 1 0 256.353 2.116 10 0 CEAERO CCOC(=O)c1cccc([C@@H]2C[N@@H+](C(C)C)CCN2)c1 ZINC000616631952 348541107 /nfs/dbraw/zinc/54/11/07/348541107.db2.gz BDIPSNHLRAWWCV-HNNXBMFYSA-N 1 0 276.380 2.218 10 0 CEAERO c1ccc(C[N@@H+]2CCN[C@@H](c3ccccn3)C2)cc1 ZINC000616633089 348542012 /nfs/dbraw/zinc/54/20/12/348542012.db2.gz HWWVTKWRCKFFRI-MRXNPFEDSA-N 1 0 253.349 2.228 10 0 CEAERO CCOC(=O)N1CC[NH2+]C[C@@H]1c1ccc2cnccc2c1 ZINC000616637617 348543358 /nfs/dbraw/zinc/54/33/58/348543358.db2.gz PQUVQTNNIQHRJL-OAHLLOKOSA-N 1 0 285.347 2.338 10 0 CEAERO CCOC(=O)c1ccc([C@H]2C[NH2+]CCN2C(C)C)cc1 ZINC000616637883 348543415 /nfs/dbraw/zinc/54/34/15/348543415.db2.gz SEMNLBNOLADEBG-OAHLLOKOSA-N 1 0 276.380 2.218 10 0 CEAERO NC(=O)c1ccc([C@@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC000616643046 348544438 /nfs/dbraw/zinc/54/44/38/348544438.db2.gz QYSPAXVDGPSLST-KRWDZBQOSA-N 1 0 296.370 2.359 10 0 CEAERO CCc1nc(N(C)C[C@@H](C)CC)c(C)c(NN)[nH+]1 ZINC000087918448 179523087 /nfs/dbraw/zinc/52/30/87/179523087.db2.gz NFHBHMJBWYFARN-VIFPVBQESA-N 1 0 251.378 2.115 10 0 CEAERO C[C@H]([NH2+][C@@H](Cn1ccnc1)C(C)(C)C)C(C)(C)O ZINC000087818407 179492444 /nfs/dbraw/zinc/49/24/44/179492444.db2.gz HSRLCFRTKHWUQJ-RYUDHWBXSA-N 1 0 253.390 2.047 10 0 CEAERO CC(C)[N@@H+]1CCOCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000616655975 348549904 /nfs/dbraw/zinc/54/99/04/348549904.db2.gz ONXPEGGPSOIXCQ-GFCCVEGCSA-N 1 0 272.389 2.010 10 0 CEAERO CC[NH2+]C[C@@H](C)c1nc([C@H]2COc3ccccc3O2)no1 ZINC000087855767 179501812 /nfs/dbraw/zinc/50/18/12/179501812.db2.gz DXCUVGAWLDXTFH-ZWNOBZJWSA-N 1 0 289.335 2.295 10 0 CEAERO [NH3+][C@H]1CN(C(=O)CC2CC2)CC[C@H]1c1cccc(F)c1 ZINC000616570035 348523545 /nfs/dbraw/zinc/52/35/45/348523545.db2.gz LLKGXOLQWNTFPA-GJZGRUSLSA-N 1 0 276.355 2.269 10 0 CEAERO CC[NH2+][C@@H](c1cc(F)cc(F)c1)[C@H]1COCCO1 ZINC000087858344 179503023 /nfs/dbraw/zinc/50/30/23/179503023.db2.gz FHSAICWAHLCJMV-OLZOCXBDSA-N 1 0 257.280 2.031 10 0 CEAERO CC1(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1 ZINC000616571254 348524141 /nfs/dbraw/zinc/52/41/41/348524141.db2.gz QCGMGUXHOBXDQW-ZIAGYGMSSA-N 1 0 258.365 2.048 10 0 CEAERO CC(C)[N@@H+]1CCc2ccccc2[C@@H]1c1cc(N)n[nH]1 ZINC000616588477 348527108 /nfs/dbraw/zinc/52/71/08/348527108.db2.gz RZVCRPLFBDFALR-OAHLLOKOSA-N 1 0 256.353 2.178 10 0 CEAERO CC[N@@H+]1CCO[C@@H](c2ccccc2NC(C)=O)CC1 ZINC000616593866 348528185 /nfs/dbraw/zinc/52/81/85/348528185.db2.gz MKJPTUQQHPRKRT-OAHLLOKOSA-N 1 0 262.353 2.428 10 0 CEAERO CC(C)[N@@H+]1CCCOC[C@H]1c1ccccc1CCO ZINC000616598265 348528986 /nfs/dbraw/zinc/52/89/86/348528986.db2.gz VRQWSRJDDZYWKZ-INIZCTEOSA-N 1 0 263.381 2.393 10 0 CEAERO CC[N@@H+]1CCCOC[C@H]1c1ccc(NC(C)=O)cc1 ZINC000616596877 348529390 /nfs/dbraw/zinc/52/93/90/348529390.db2.gz JJNZJPXJTXLEAN-HNNXBMFYSA-N 1 0 262.353 2.428 10 0 CEAERO [NH3+]CCN1CCC[C@@H](c2ccc3ccnnc3c2)CC1 ZINC000616600233 348530000 /nfs/dbraw/zinc/53/00/00/348530000.db2.gz APCIXOCJBLZTJO-CYBMUJFWSA-N 1 0 270.380 2.158 10 0 CEAERO CC(=O)Nc1ccccc1[C@H]1CCCCN(CC[NH3+])C1 ZINC000616603242 348531788 /nfs/dbraw/zinc/53/17/88/348531788.db2.gz DWUDZBQYHYGQCF-AWEZNQCLSA-N 1 0 275.396 2.173 10 0 CEAERO FC(F)(F)O[C@@H]1COCCN(Cc2ccccc2)C1 ZINC000616658810 348551163 /nfs/dbraw/zinc/55/11/63/348551163.db2.gz FNZMCOAEVOSUSC-LBPRGKRZSA-N 1 0 275.270 2.424 10 0 CEAERO OCC[N@@H+]1CCCC[C@@H](c2cccc3nnccc32)C1 ZINC000616605911 348532709 /nfs/dbraw/zinc/53/27/09/348532709.db2.gz ZKEQTKUIHZDMAC-CYBMUJFWSA-N 1 0 271.364 2.192 10 0 CEAERO OCC[NH+]1CCC(c2cncc3ccccc32)CC1 ZINC000616609360 348533298 /nfs/dbraw/zinc/53/32/98/348533298.db2.gz SKQRRPBZZDUZHW-UHFFFAOYSA-N 1 0 256.349 2.407 10 0 CEAERO OCC[N@@H+]1CCC[C@H](c2ccc3ncccc3c2)C1 ZINC000616617849 348535590 /nfs/dbraw/zinc/53/55/90/348535590.db2.gz LGFDJLMHDPXGJQ-HNNXBMFYSA-N 1 0 256.349 2.407 10 0 CEAERO OCC[NH+]1CCC(c2ccc3ccncc3c2)CC1 ZINC000616619794 348536408 /nfs/dbraw/zinc/53/64/08/348536408.db2.gz RDFGMYVBEFVWFP-UHFFFAOYSA-N 1 0 256.349 2.407 10 0 CEAERO OCC[N@@H+]1CCC[C@@H](c2cc3ccccc3cn2)C1 ZINC000616621661 348537083 /nfs/dbraw/zinc/53/70/83/348537083.db2.gz UWOUZMUEIQHZJN-OAHLLOKOSA-N 1 0 256.349 2.407 10 0 CEAERO OCCc1ccc([C@H]2CCCCC[N@H+]2CCO)cc1 ZINC000616623663 348537720 /nfs/dbraw/zinc/53/77/20/348537720.db2.gz QBSSGLBEFJJXMA-MRXNPFEDSA-N 1 0 263.381 2.131 10 0 CEAERO Cn1cc(C[C@H]([NH3+])[C@@H]2CCc3ccccc3C2)cn1 ZINC000088032534 179537414 /nfs/dbraw/zinc/53/74/14/179537414.db2.gz CWARNNRXCSUJPG-CVEARBPZSA-N 1 0 255.365 2.095 10 0 CEAERO [NH3+]CCC[S@](=O)Cc1cc(F)cc(Br)c1 ZINC000088066490 179544105 /nfs/dbraw/zinc/54/41/05/179544105.db2.gz RTGCCGVRIQJVCH-OAHLLOKOSA-N 1 0 294.189 2.186 10 0 CEAERO COc1cccc(F)c1C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000088081096 179545759 /nfs/dbraw/zinc/54/57/59/179545759.db2.gz RRPGDMHZZLVHLO-CMPLNLGQSA-N 1 0 280.343 2.176 10 0 CEAERO CC(C)[NH2+]C[C@H](c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000088098297 179547322 /nfs/dbraw/zinc/54/73/22/179547322.db2.gz BMBQKYMIYNQSKN-LSDHHAIUSA-N 1 0 281.421 2.203 10 0 CEAERO COc1ccc(CC[C@](C)(O)[C@H]2CCC[NH2+]C2)cc1 ZINC000088103328 179548848 /nfs/dbraw/zinc/54/88/48/179548848.db2.gz UOLOXCLNBGHMEB-HOCLYGCPSA-N 1 0 263.381 2.378 10 0 CEAERO CC(C)C[C@H](C[NH3+])CC(=O)N[C@H](C)c1ccco1 ZINC000088276197 179573751 /nfs/dbraw/zinc/57/37/51/179573751.db2.gz ZNXHGIUAYMPCDD-NEPJUHHUSA-N 1 0 252.358 2.468 10 0 CEAERO C[C@H]([NH3+])c1cnn(CCc2ccc3c(c2)CCO3)c1 ZINC000088106282 179550182 /nfs/dbraw/zinc/55/01/82/179550182.db2.gz XPMBZGLZBZJUGD-NSHDSACASA-N 1 0 257.337 2.080 10 0 CEAERO [NH3+]CC[C@@H]([S@](=O)C1CCCCC1)C(F)(F)F ZINC000088145046 179555874 /nfs/dbraw/zinc/55/58/74/179555874.db2.gz GILSDMHRNLJMCT-ABKXIKBNSA-N 1 0 257.321 2.348 10 0 CEAERO Cc1ccc(-c2nc(CN3CC[NH2+]CC3(C)C)no2)cc1 ZINC000088140164 179556455 /nfs/dbraw/zinc/55/64/55/179556455.db2.gz ZUWLWTMBXGJSLT-UHFFFAOYSA-N 1 0 286.379 2.229 10 0 CEAERO CC[C@@H](C)NC(=O)COc1cccc2c1CCC[C@H]2[NH3+] ZINC000088150768 179557239 /nfs/dbraw/zinc/55/72/39/179557239.db2.gz IRHWTSUJYVAIGA-BXUZGUMPSA-N 1 0 276.380 2.316 10 0 CEAERO Cc1cccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1N ZINC000088163672 179559111 /nfs/dbraw/zinc/55/91/11/179559111.db2.gz NQKRHSYKJQLFDT-AGUYFDCRSA-N 1 0 287.407 2.322 10 0 CEAERO CCCS(=O)(=O)Nc1ccc(C[NH3+])c(C(F)(F)F)c1 ZINC000088191243 179561840 /nfs/dbraw/zinc/56/18/40/179561840.db2.gz OVDQTUOZDSEXPS-UHFFFAOYSA-N 1 0 296.314 2.316 10 0 CEAERO OCC[N@@H+]1CCc2ccccc2[C@@H]1c1ccc(CO)cc1 ZINC000616679167 348558153 /nfs/dbraw/zinc/55/81/53/348558153.db2.gz RDTHWNPPTAMTAN-SFHVURJKSA-N 1 0 283.371 2.119 10 0 CEAERO CCC[C@@H](COC)[NH2+]CCOc1ccc(OC)cc1 ZINC000088401322 179593278 /nfs/dbraw/zinc/59/32/78/179593278.db2.gz GUNHXOWOSVWCRS-ZDUSSCGKSA-N 1 0 267.369 2.479 10 0 CEAERO C[C@@H]1CCC[NH2+][C@@H]1C(=O)N1CCC(C(F)(F)F)CC1 ZINC000088431609 179598796 /nfs/dbraw/zinc/59/87/96/179598796.db2.gz RRTAQYQTLZTULP-KOLCDFICSA-N 1 0 278.318 2.175 10 0 CEAERO COc1ccc(OC)c(-c2c[nH]c([C@@H]3CC[NH2+]C3)n2)c1 ZINC000088351486 179581449 /nfs/dbraw/zinc/58/14/49/179581449.db2.gz ZBUYOPKGZHZOHR-SNVBAGLBSA-N 1 0 273.336 2.171 10 0 CEAERO CN(CC[NH2+]CCC(C)(C)C)C[C@@H]1CCCOC1 ZINC000104192714 185922885 /nfs/dbraw/zinc/92/28/85/185922885.db2.gz AWPDPXYTAVDPSR-AWEZNQCLSA-N 1 0 256.434 2.371 10 0 CEAERO CCCCN(C)S(=O)(=O)c1ccc(C[NH2+]CCC)o1 ZINC000088543549 179620491 /nfs/dbraw/zinc/62/04/91/179620491.db2.gz LRSVXKGTHQQKTF-UHFFFAOYSA-N 1 0 288.413 2.200 10 0 CEAERO CC(C)[C@H]1CCC[C@@]([NH3+])(Cc2ncnn2C)CC1 ZINC000088581357 179629244 /nfs/dbraw/zinc/62/92/44/179629244.db2.gz MAVVCUHFYNZHJT-JSGCOSHPSA-N 1 0 250.390 2.291 10 0 CEAERO CC[NH2+][C@@H](Cc1ncnn1C)Cc1cccc(Cl)c1 ZINC000088581716 179629454 /nfs/dbraw/zinc/62/94/54/179629454.db2.gz GMWAWKYSLCLGAG-CYBMUJFWSA-N 1 0 278.787 2.232 10 0 CEAERO CC(C)n1ncnc1Cn1ccc2c1cccc2C[NH3+] ZINC000088603067 179635420 /nfs/dbraw/zinc/63/54/20/179635420.db2.gz WISZTVRAGHPCCC-UHFFFAOYSA-N 1 0 269.352 2.321 10 0 CEAERO CCCn1ncnc1C[C@@](C)([NH3+])Cc1ccc(OC)cc1 ZINC000088607226 179636466 /nfs/dbraw/zinc/63/64/66/179636466.db2.gz GNFNLKNXNLGVMV-INIZCTEOSA-N 1 0 288.395 2.199 10 0 CEAERO CCCn1ncnc1C[C@@H]([NH2+]CC)C1CCCC1 ZINC000088610912 179638039 /nfs/dbraw/zinc/63/80/39/179638039.db2.gz FUQPRGQENZCFQD-CYBMUJFWSA-N 1 0 250.390 2.399 10 0 CEAERO CC(C)n1ncnc1CN1CC(C)(C)[NH2+]C[C@@]1(C)C1CC1 ZINC000088625306 179642439 /nfs/dbraw/zinc/64/24/39/179642439.db2.gz SGLDNQRJSVPAAH-INIZCTEOSA-N 1 0 291.443 2.212 10 0 CEAERO C[C@H]1CCCCC[C@H]1NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000088514777 179616251 /nfs/dbraw/zinc/61/62/51/179616251.db2.gz NOSNRYFHHNHUEQ-VBNZEHGJSA-N 1 0 290.407 2.347 10 0 CEAERO C[C@H]1CC[C@@H](C(=O)Nc2c(F)cc(F)cc2F)C[NH2+]1 ZINC000088722603 179658812 /nfs/dbraw/zinc/65/88/12/179658812.db2.gz YTLAGYKOCCWJLP-JGVFFNPUSA-N 1 0 272.270 2.431 10 0 CEAERO Cc1ccc(Cl)cc1OCC[NH2+]CCN(C)C ZINC000088730836 179659555 /nfs/dbraw/zinc/65/95/55/179659555.db2.gz CMCDXPWXQWHHNK-UHFFFAOYSA-N 1 0 256.777 2.178 10 0 CEAERO CCc1nc(CC)n([C@H](C[NH3+])c2cccc(C)c2)n1 ZINC000088740208 179662310 /nfs/dbraw/zinc/66/23/10/179662310.db2.gz ITEIHDTWUPQNQJ-CYBMUJFWSA-N 1 0 258.369 2.259 10 0 CEAERO [NH3+]CCCc1nnc([C@H]2COc3ccccc3C2)s1 ZINC000088809199 179675870 /nfs/dbraw/zinc/67/58/70/179675870.db2.gz QUFIIWMBPIRZJL-LLVKDONJSA-N 1 0 275.377 2.148 10 0 CEAERO C[NH2+]Cc1sccc1S(=O)(=O)N(C)CCC(C)C ZINC000088991565 179690160 /nfs/dbraw/zinc/69/01/60/179690160.db2.gz PYPRXSORGOXKRO-UHFFFAOYSA-N 1 0 290.454 2.134 10 0 CEAERO CCC(CC)CN(CC)S(=O)(=O)CCC[NH2+]C1CC1 ZINC000088994188 179690408 /nfs/dbraw/zinc/69/04/08/179690408.db2.gz UOMOSGRIMOYFEV-UHFFFAOYSA-N 1 0 290.473 2.216 10 0 CEAERO CC(C)[NH2+]C[C@@H](C)S(=O)(=O)N(C)[C@@H](C)C(C)(C)C ZINC000089007356 179691358 /nfs/dbraw/zinc/69/13/58/179691358.db2.gz VEBNMANIALOBSY-NEPJUHHUSA-N 1 0 278.462 2.069 10 0 CEAERO C[NH2+]Cc1nnc(-c2c(F)cccc2OC)s1 ZINC000088813570 179677346 /nfs/dbraw/zinc/67/73/46/179677346.db2.gz FJYRJNVBZVFNBL-UHFFFAOYSA-N 1 0 253.302 2.072 10 0 CEAERO O=S1(=O)C=C[C@@H]([NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000088854752 179683840 /nfs/dbraw/zinc/68/38/40/179683840.db2.gz PPPXNTQAAQWWLM-UDNWOFFPSA-N 1 0 283.315 2.008 10 0 CEAERO CC(C)n1c(CCOC2CC[NH2+]CC2)nc2cnccc21 ZINC000088865686 179684704 /nfs/dbraw/zinc/68/47/04/179684704.db2.gz OSPHOEMGJYVQNF-UHFFFAOYSA-N 1 0 288.395 2.323 10 0 CEAERO CCS(=O)(=O)c1ccccc1N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089108846 179704176 /nfs/dbraw/zinc/70/41/76/179704176.db2.gz FDSLCRMQWLWORE-OLZOCXBDSA-N 1 0 296.436 2.410 10 0 CEAERO CN(C(=O)C1(c2ccccc2)CC1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089110370 179705268 /nfs/dbraw/zinc/70/52/68/179705268.db2.gz OXEBTTVPCGIYHI-UKRRQHHQSA-N 1 0 272.392 2.304 10 0 CEAERO Cc1ccoc1C(=O)N(C)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089131776 179713309 /nfs/dbraw/zinc/71/33/09/179713309.db2.gz OOYIHXAWKZKMAO-VXGBXAGGSA-N 1 0 250.342 2.178 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)CCc1c[nH]c2ccccc12 ZINC000089090883 539688698 /nfs/dbraw/zinc/68/86/98/539688698.db2.gz MXIHWHOWKKTGMK-IUODEOHRSA-N 1 0 285.391 2.344 10 0 CEAERO CN(C(=O)c1ccc2c(c1)COC2)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089132050 179713813 /nfs/dbraw/zinc/71/38/13/179713813.db2.gz RINHKXNPSGYXJJ-CJNGLKHVSA-N 1 0 288.391 2.306 10 0 CEAERO Cc1nn(C)c(N(CC(C)C)C(C)C)c1CC[NH3+] ZINC000104254261 185945338 /nfs/dbraw/zinc/94/53/38/185945338.db2.gz IOACDRYJFBBWIJ-UHFFFAOYSA-N 1 0 252.406 2.101 10 0 CEAERO CCNC(=O)c1ccc(N[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000089143400 179721309 /nfs/dbraw/zinc/72/13/09/179721309.db2.gz SIMXQNZZUVBXNL-UKRRQHHQSA-N 1 0 275.396 2.366 10 0 CEAERO NC(=O)CSc1ccccc1N[C@H]1CCCC[C@H]1C[NH3+] ZINC000089143097 179721452 /nfs/dbraw/zinc/72/14/52/179721452.db2.gz RFJMNDHOYBTPBG-RYUDHWBXSA-N 1 0 293.436 2.193 10 0 CEAERO CCN(C(=O)c1snnc1C(C)C)[C@H]1CCC[C@H]1C[NH3+] ZINC000089114983 179709300 /nfs/dbraw/zinc/70/93/00/179709300.db2.gz PMRKDLAUWAUGMB-QWRGUYRKSA-N 1 0 296.440 2.251 10 0 CEAERO CCN(c1cc2ccccc2c(=O)[nH]1)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089116423 179709769 /nfs/dbraw/zinc/70/97/69/179709769.db2.gz RFSDGWCYAXXFAX-HIFRSBDPSA-N 1 0 285.391 2.482 10 0 CEAERO CCCN(CCC)c1c(C[C@@H](C)[NH3+])c(C)nn1C ZINC000104278264 185952586 /nfs/dbraw/zinc/95/25/86/185952586.db2.gz DTTHXNCBQFJHNJ-LLVKDONJSA-N 1 0 252.406 2.245 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1Nc1cccc(Cn2cccn2)c1 ZINC000089149506 179725161 /nfs/dbraw/zinc/72/51/61/179725161.db2.gz DQDCYDSTZVWCKS-GOEBONIOSA-N 1 0 270.380 2.471 10 0 CEAERO COC(=O)c1ccc(N[C@@H]2CCC[C@H]2C[NH3+])c(C)c1 ZINC000089149294 179725581 /nfs/dbraw/zinc/72/55/81/179725581.db2.gz UFTNYDVXNYKJJC-GXTWGEPZSA-N 1 0 262.353 2.321 10 0 CEAERO CN(C)c1nnc(Sc2ccc(CC[NH3+])cc2)s1 ZINC000104299935 185959797 /nfs/dbraw/zinc/95/97/97/185959797.db2.gz AEJYRFUVEKAHAX-UHFFFAOYSA-N 1 0 280.422 2.257 10 0 CEAERO CCn1nc(C[C@@H]([NH2+]C)c2cnccn2)c2ccccc21 ZINC000089177563 179742922 /nfs/dbraw/zinc/74/29/22/179742922.db2.gz VRWRTTTYXPTPOF-CQSZACIVSA-N 1 0 281.363 2.349 10 0 CEAERO CCc1cc(CO[C@@H]2CCCC[C@@H]2C[NH3+])n(CC)n1 ZINC000089186819 179747594 /nfs/dbraw/zinc/74/75/94/179747594.db2.gz ZTJLUALXPOSHEM-IUODEOHRSA-N 1 0 265.401 2.500 10 0 CEAERO CN(Cc1cccs1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089450706 539715817 /nfs/dbraw/zinc/71/58/17/539715817.db2.gz RNXJKSKMKSKJNN-JQWIXIFHSA-N 1 0 252.383 2.082 10 0 CEAERO CCc1cc(C[C@@H]([NH3+])CS[C@H](C)CC)n(C)n1 ZINC000089198872 179751789 /nfs/dbraw/zinc/75/17/89/179751789.db2.gz VDCVRXDNRSBZKV-GHMZBOCLSA-N 1 0 255.431 2.384 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCc1cccc(Cl)c1 ZINC000089450606 539715993 /nfs/dbraw/zinc/71/59/93/539715993.db2.gz PLKSGUUVJXNSMC-AAEUAGOBSA-N 1 0 266.772 2.331 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000089448748 539716288 /nfs/dbraw/zinc/71/62/88/539716288.db2.gz ZVCZEDTXKQGBFK-MGZIPMFSSA-N 1 0 276.424 2.446 10 0 CEAERO CCn1nc(C)cc1Cn1nc(C)c([C@H](C)[NH2+]C)c1C ZINC000089206594 179754258 /nfs/dbraw/zinc/75/42/58/179754258.db2.gz WDJAYSGFUFBDQO-NSHDSACASA-N 1 0 275.400 2.353 10 0 CEAERO CCc1cc(CN2C[C@@H](C(C)C)[NH2+]C[C@@H]2C)n(CC)n1 ZINC000089208568 179754777 /nfs/dbraw/zinc/75/47/77/179754777.db2.gz QGLLBXMPEUNKNZ-BBRMVZONSA-N 1 0 278.444 2.284 10 0 CEAERO CCC1CCC(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089460457 539718212 /nfs/dbraw/zinc/71/82/12/539718212.db2.gz QCBDPVALOALBIJ-HHTDUIENSA-N 1 0 252.402 2.446 10 0 CEAERO CCc1cc(CN2C[C@@H](CC)[NH2+]C[C@@H]2C2CC2)n(CC)n1 ZINC000089209772 179755371 /nfs/dbraw/zinc/75/53/71/179755371.db2.gz DQPZDXSXOGVTTP-NVXWUHKLSA-N 1 0 290.455 2.428 10 0 CEAERO Cc1cc(CN2CC3(CCCC3)[NH2+]C[C@H]2C(C)C)n(C)n1 ZINC000089210678 179755601 /nfs/dbraw/zinc/75/56/01/179755601.db2.gz WJTHGBCNSLDCFV-INIZCTEOSA-N 1 0 290.455 2.471 10 0 CEAERO C[C@@H]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089460779 539718853 /nfs/dbraw/zinc/71/88/53/539718853.db2.gz JERCOBGRGSNMNO-AAVRWANBSA-N 1 0 252.402 2.304 10 0 CEAERO CCn1nc(C)c(Cl)c1Cc1c[nH+]ccc1N ZINC000089302196 179767539 /nfs/dbraw/zinc/76/75/39/179767539.db2.gz VLAHDSKPLQCSOC-UHFFFAOYSA-N 1 0 250.733 2.433 10 0 CEAERO CCc1nn(CC)c(CN2[C@@H](C)C[NH2+]C[C@@H]2C)c1Cl ZINC000089353501 179772283 /nfs/dbraw/zinc/77/22/83/179772283.db2.gz FLXHDUWRKCZRPL-QWRGUYRKSA-N 1 0 284.835 2.301 10 0 CEAERO CCc1nn(CC)c(C[C@@H]([NH3+])[C@H]2CCOC2)c1Cl ZINC000089361007 179773012 /nfs/dbraw/zinc/77/30/12/179773012.db2.gz UTZOGVMCPRTMCU-VHSXEESVSA-N 1 0 271.792 2.025 10 0 CEAERO CCn1nc(C)c(Cl)c1C[C@H]([NH3+])Cc1cccnc1 ZINC000089296298 179766593 /nfs/dbraw/zinc/76/65/93/179766593.db2.gz QMNBBSAGLRBDBT-GFCCVEGCSA-N 1 0 278.787 2.372 10 0 CEAERO COc1ccc(CCNC(=O)[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000089385927 179777345 /nfs/dbraw/zinc/77/73/45/179777345.db2.gz UIEPNDFRWOMWRA-GOEBONIOSA-N 1 0 290.407 2.119 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cn1 ZINC000089387283 179778056 /nfs/dbraw/zinc/77/80/56/179778056.db2.gz IEPJMJYGQATKDW-KOLCDFICSA-N 1 0 267.760 2.439 10 0 CEAERO COc1cccc(CNC(=O)[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000089390324 179778765 /nfs/dbraw/zinc/77/87/65/179778765.db2.gz QJEJDHMLIGJEIL-UKRRQHHQSA-N 1 0 276.380 2.077 10 0 CEAERO COCc1ccccc1NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089451762 179793058 /nfs/dbraw/zinc/79/30/58/179793058.db2.gz YZXWTUDQMDMLAZ-WCQYABFASA-N 1 0 262.353 2.147 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N(Cc1ccco1)C1CC1 ZINC000089456135 179794029 /nfs/dbraw/zinc/79/40/29/179794029.db2.gz JUBGPTYLXFFALF-FZMZJTMJSA-N 1 0 262.353 2.146 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCc1ccccc1OC(F)F ZINC000089460116 179795313 /nfs/dbraw/zinc/79/53/13/179795313.db2.gz IBOPIJASKYMFLU-PWSUYJOCSA-N 1 0 298.333 2.279 10 0 CEAERO CCCCOCCOC(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000089383948 179776813 /nfs/dbraw/zinc/77/68/13/179776813.db2.gz DOHAASLFUDPAEL-STQMWFEESA-N 1 0 257.374 2.111 10 0 CEAERO CC(C)c1nc(COC[C@H]2CCC[C@@H]2C[NH3+])no1 ZINC000089536311 179812325 /nfs/dbraw/zinc/81/23/25/179812325.db2.gz VFOHXCXLLYCEDE-GHMZBOCLSA-N 1 0 253.346 2.085 10 0 CEAERO COc1ccc(CC[NH2+]C[C@@H]2CCC[C@@H]2CO)cc1 ZINC000089497339 179804381 /nfs/dbraw/zinc/80/43/81/179804381.db2.gz QFFUSRDYQFMFPD-LSDHHAIUSA-N 1 0 263.381 2.236 10 0 CEAERO Cc1ccc(F)c(C(=O)NC[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089500482 179805074 /nfs/dbraw/zinc/80/50/74/179805074.db2.gz RJORHBUSJWZIIM-NEPJUHHUSA-N 1 0 264.344 2.239 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1CNc1nncc2ccccc21 ZINC000089501291 179805407 /nfs/dbraw/zinc/80/54/07/179805407.db2.gz GKVQKBDUUXHRHZ-NWDGAFQWSA-N 1 0 256.353 2.417 10 0 CEAERO CCOC(=O)CCCCC[NH2+]C[C@H]1CCCC[C@@H]1CO ZINC000089529389 179810286 /nfs/dbraw/zinc/81/02/86/179810286.db2.gz QYNPPEPBLVRNMC-HUUCEWRRSA-N 1 0 285.428 2.498 10 0 CEAERO CCOC(=O)CCCCC[NH2+]C[C@@H]1CCCC[C@H]1CO ZINC000089529390 179810530 /nfs/dbraw/zinc/81/05/30/179810530.db2.gz QYNPPEPBLVRNMC-GJZGRUSLSA-N 1 0 285.428 2.498 10 0 CEAERO CCOC(=O)c1cc(C)sc1NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000089748290 179859453 /nfs/dbraw/zinc/85/94/53/179859453.db2.gz FGGFPVAANGXVPG-JTQLQIEISA-N 1 0 296.392 2.171 10 0 CEAERO CCCC1([NH3+])CN(C(=O)Nc2cccc(F)c2)C1 ZINC000089655342 179841743 /nfs/dbraw/zinc/84/17/43/179841743.db2.gz AHUZOXCKLFYJNB-UHFFFAOYSA-N 1 0 251.305 2.171 10 0 CEAERO CC(C)(C)[C@H]1C[C@@H](NC(=O)c2ccc(C[NH3+])cc2)CCO1 ZINC000262281165 535099497 /nfs/dbraw/zinc/09/94/97/535099497.db2.gz JATSWKAZYXNPTD-LSDHHAIUSA-N 1 0 290.407 2.469 10 0 CEAERO COc1cccc(Cl)c1CNC(=O)C[C@@H]([NH3+])C(C)C ZINC000234879668 539742409 /nfs/dbraw/zinc/74/24/09/539742409.db2.gz XNZQGUDZFPJDBF-GFCCVEGCSA-N 1 0 284.787 2.338 10 0 CEAERO CC(C)n1cncc1C[NH2+][C@@]1(CO)CCC[C@@H](C)C1 ZINC000090209095 179934636 /nfs/dbraw/zinc/93/46/36/179934636.db2.gz SLCJOXOGZLWBFM-HIFRSBDPSA-N 1 0 265.401 2.495 10 0 CEAERO CCCN(CC(=O)Nc1ccc(C(C)C)cc1)C1C[NH2+]C1 ZINC000090293563 179951980 /nfs/dbraw/zinc/95/19/80/179951980.db2.gz AADSKJZXCKYRHI-UHFFFAOYSA-N 1 0 289.423 2.432 10 0 CEAERO C[C@H](C[NH3+])CS[C@@H]1CC(=O)N(C2CCCCCC2)C1=O ZINC000090350167 179972275 /nfs/dbraw/zinc/97/22/75/179972275.db2.gz UVJIHZCSLXENET-DGCLKSJQSA-N 1 0 298.452 2.165 10 0 CEAERO C[C@H](CC[NH3+])SCc1cc(=O)n2cc(Cl)ccc2n1 ZINC000090354359 179973694 /nfs/dbraw/zinc/97/36/94/179973694.db2.gz KONZHXSESRYIIC-SECBINFHSA-N 1 0 297.811 2.318 10 0 CEAERO COc1cccc(NC(=O)CS[C@@H](C)CC[NH3+])c1 ZINC000090354874 179974502 /nfs/dbraw/zinc/97/45/02/179974502.db2.gz YVBFMLUXJNIIEC-JTQLQIEISA-N 1 0 268.382 2.104 10 0 CEAERO C[NH2+][C@H]1COC[C@H]1c1nc(-c2ccc(F)cc2Cl)no1 ZINC000090423949 179985130 /nfs/dbraw/zinc/98/51/30/179985130.db2.gz SDZUTFZFBAEGJC-KOLCDFICSA-N 1 0 297.717 2.231 10 0 CEAERO Cc1c(F)cccc1-n1cc(C[NH2+]CC(C)C)nn1 ZINC000090300164 179953814 /nfs/dbraw/zinc/95/38/14/179953814.db2.gz MPAZTMGXODAIDQ-UHFFFAOYSA-N 1 0 262.332 2.460 10 0 CEAERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1Nc1nc2ccccc2s1 ZINC000090313823 179956534 /nfs/dbraw/zinc/95/65/34/179956534.db2.gz UQERTGFYIJFQCB-XRNSZHNASA-N 1 0 263.366 2.213 10 0 CEAERO CC[NH2+][C@H]1COC[C@H]1c1nc2c(cccc2F)n1CC ZINC000090472576 179989253 /nfs/dbraw/zinc/98/92/53/179989253.db2.gz SWIBSMKKHIHBJD-PWSUYJOCSA-N 1 0 277.343 2.287 10 0 CEAERO Cc1ncsc1CN(C)[C@@H](c1ccncc1)[C@@H](C)[NH3+] ZINC000104440806 186003496 /nfs/dbraw/zinc/00/34/96/186003496.db2.gz QAGCAQNIWQGJOU-QMTHXVAHSA-N 1 0 276.409 2.367 10 0 CEAERO CC[NH2+][C@H]1COC[C@H]1CN(C)c1ccc(C)cc1C ZINC000090494654 179992910 /nfs/dbraw/zinc/99/29/10/179992910.db2.gz HQYGYEFCLMJHQE-CABCVRRESA-N 1 0 262.397 2.364 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1c1nc2cnccc2s1 ZINC000090527459 179997984 /nfs/dbraw/zinc/99/79/84/179997984.db2.gz QZZXIAUXQHLQNR-ONGXEEELSA-N 1 0 263.366 2.173 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1c1nc2ccc(F)cc2o1 ZINC000090529216 179998486 /nfs/dbraw/zinc/99/84/86/179998486.db2.gz LBESXFSXGOUHEI-ZYHUDNBSSA-N 1 0 264.300 2.449 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000090541561 180000183 /nfs/dbraw/zinc/00/01/83/180000183.db2.gz INLJTFGYAFUQEM-BPUTZDHNSA-N 1 0 290.407 2.187 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1cc(C)ccc1C ZINC000090538807 180000436 /nfs/dbraw/zinc/00/04/36/180000436.db2.gz JEXSRIPWBTWTFV-ZFWWWQNUSA-N 1 0 276.380 2.257 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)N(CC)c1ccc(C)cc1 ZINC000090544426 180001265 /nfs/dbraw/zinc/00/12/65/180001265.db2.gz YRUAOUHBCWCBJG-HZPDHXFCSA-N 1 0 290.407 2.363 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1CN1CCC(C(F)(F)F)CC1 ZINC000090567247 180006811 /nfs/dbraw/zinc/00/68/11/180006811.db2.gz URDUYAOJVGLPIZ-WCQYABFASA-N 1 0 294.361 2.275 10 0 CEAERO CC(C)c1ccc(-c2noc([C@]3(C)COC[C@H]3[NH3+])n2)cc1 ZINC000090573419 180007439 /nfs/dbraw/zinc/00/74/39/180007439.db2.gz UOKQXLAEXJRAPV-CZUORRHYSA-N 1 0 287.363 2.475 10 0 CEAERO C[C@@]1(c2nc(-c3cccc(Cl)c3)no2)COC[C@H]1[NH3+] ZINC000090573291 180007652 /nfs/dbraw/zinc/00/76/52/180007652.db2.gz JEQHBEYUJCRTPO-ZWNOBZJWSA-N 1 0 279.727 2.005 10 0 CEAERO CCn1c2ccc(Cl)cc2nc1[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090571737 180008011 /nfs/dbraw/zinc/00/80/11/180008011.db2.gz UBJYXKGQMDAPKH-JSGCOSHPSA-N 1 0 279.771 2.325 10 0 CEAERO C[C@]1(C(=O)Nc2ccc(Cl)cc2Cl)COC[C@H]1[NH3+] ZINC000090580350 180008711 /nfs/dbraw/zinc/00/87/11/180008711.db2.gz XQMTVMYRFWNFBF-PWSUYJOCSA-N 1 0 289.162 2.296 10 0 CEAERO CCN(Cc1ccccc1Cl)C(=O)[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090592303 180010376 /nfs/dbraw/zinc/01/03/76/180010376.db2.gz OQEXHZWMHXHDEE-ZFWWWQNUSA-N 1 0 296.798 2.052 10 0 CEAERO Cc1cc(OC(C)C)ccc1NC(=O)[C@@]1(C)COC[C@H]1[NH3+] ZINC000090590078 180010401 /nfs/dbraw/zinc/01/04/01/180010401.db2.gz WDVAKIHCECJIGI-ZBFHGGJFSA-N 1 0 292.379 2.085 10 0 CEAERO C[C@@H](OCCCC[C@](C)([NH2+]C1CC1)C(N)=O)C(F)(F)F ZINC000090674101 180021778 /nfs/dbraw/zinc/02/17/78/180021778.db2.gz CHFIAUKJYKYALV-SKDRFNHKSA-N 1 0 296.333 2.120 10 0 CEAERO CC[NH2+][C@](C)(CO)CCCO[C@@H](C)C(F)(F)F ZINC000090676042 180022534 /nfs/dbraw/zinc/02/25/34/180022534.db2.gz SPXZHMVFPGFAFQ-UWVGGRQHSA-N 1 0 257.296 2.095 10 0 CEAERO CC[NH2+][C@@](CO)(CO[C@@H](C)C(F)(F)F)c1ccccc1 ZINC000090675978 180022544 /nfs/dbraw/zinc/02/25/44/180022544.db2.gz YXWQFZAHLQURRD-AAEUAGOBSA-N 1 0 291.313 2.451 10 0 CEAERO CC(C)(C)C(=O)N1CCCSC[C@@H]1C[NH+]1CCCC1 ZINC000090700524 180027813 /nfs/dbraw/zinc/02/78/13/180027813.db2.gz HSWFAWNHOPYVLF-ZDUSSCGKSA-N 1 0 284.469 2.462 10 0 CEAERO CCNC(=O)N1CCCSC[C@H]1C[NH+]1CCCCC1 ZINC000090701793 180027820 /nfs/dbraw/zinc/02/78/20/180027820.db2.gz AUQXRTUQIVPPSQ-CYBMUJFWSA-N 1 0 285.457 2.009 10 0 CEAERO CC(C)c1nn(C)cc1CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000090720752 180031316 /nfs/dbraw/zinc/03/13/16/180031316.db2.gz AZWKGSWQQPQMPU-GXTWGEPZSA-N 1 0 264.417 2.116 10 0 CEAERO CC(C)CCS(=O)(=O)N[C@@H](C)c1ccc(C[NH3+])cc1 ZINC000104444218 186003922 /nfs/dbraw/zinc/00/39/22/186003922.db2.gz XXJHIQGSLIDDLL-LBPRGKRZSA-N 1 0 284.425 2.172 10 0 CEAERO c1ccc(C(c2ccccc2)C2=[NH+]NCCN2)cc1 ZINC000090755377 180036409 /nfs/dbraw/zinc/03/64/09/180036409.db2.gz IGKMVYTZFRGNPA-UHFFFAOYSA-N 1 0 251.333 2.325 10 0 CEAERO COc1cc(N2CC[NH2+]Cc3ccccc32)nc(C)n1 ZINC000090787022 180040699 /nfs/dbraw/zinc/04/06/99/180040699.db2.gz PWWHEZOHKYCUAY-UHFFFAOYSA-N 1 0 270.336 2.035 10 0 CEAERO CC(C)Oc1cc(NC[C@@H]2CCC[C@H]2C[NH3+])ncn1 ZINC000090786670 180041000 /nfs/dbraw/zinc/04/10/00/180041000.db2.gz AKRBIDSZDLIXJE-RYUDHWBXSA-N 1 0 264.373 2.051 10 0 CEAERO COc1ncnc(N2CC[NH2+]Cc3ccccc32)c1C ZINC000090788769 180041221 /nfs/dbraw/zinc/04/12/21/180041221.db2.gz KMEYUYQCFHHAMH-UHFFFAOYSA-N 1 0 270.336 2.035 10 0 CEAERO CCOc1cc(N[C@H]2CCCCC[C@@H]2[NH3+])nc(C)n1 ZINC000090787870 180041581 /nfs/dbraw/zinc/04/15/81/180041581.db2.gz HHCALFNZRGXIRU-RYUDHWBXSA-N 1 0 264.373 2.256 10 0 CEAERO CCOc1ncnc(N2CCC[C@H]2C[NH2+]C(C)C)c1C ZINC000090789880 180041917 /nfs/dbraw/zinc/04/19/17/180041917.db2.gz BMVFNIGCNMXESH-ZDUSSCGKSA-N 1 0 278.400 2.151 10 0 CEAERO CCOc1ncnc(NC[C@H]([NH3+])c2ccccc2)c1C ZINC000090789598 180042230 /nfs/dbraw/zinc/04/22/30/180042230.db2.gz JOPWARVURNCCDO-ZDUSSCGKSA-N 1 0 272.352 2.296 10 0 CEAERO [NH3+][C@@H](CC[NH2+]CCc1cscn1)c1ccccc1 ZINC000104445030 186005495 /nfs/dbraw/zinc/00/54/95/186005495.db2.gz AQHQMFVDKGEYGJ-AWEZNQCLSA-N 1 0 261.394 2.365 10 0 CEAERO CC[NH2+][C@H]1C[C@H](Oc2cccc(S(C)(=O)=O)c2)C1(C)C ZINC000090862047 180046997 /nfs/dbraw/zinc/04/69/97/180046997.db2.gz NRNFPHSPIJUCAM-KBPBESRZSA-N 1 0 297.420 2.246 10 0 CEAERO CCC1(CC)[C@H]([NH3+])C[C@H]1Oc1c(C)nn(C)c1C ZINC000090865715 180047628 /nfs/dbraw/zinc/04/76/28/180047628.db2.gz XBQIFLMVRLYCSF-VXGBXAGGSA-N 1 0 251.374 2.322 10 0 CEAERO CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCOCC(F)(F)F ZINC000104448851 186006193 /nfs/dbraw/zinc/00/61/93/186006193.db2.gz VOOGDVPWCKTWRT-YOGCLGLASA-N 1 0 280.334 2.170 10 0 CEAERO CC[NH2+]Cc1cccc(SCCC(=O)NC)c1 ZINC000090871249 180048908 /nfs/dbraw/zinc/04/89/08/180048908.db2.gz VSLNALVGMMEABA-UHFFFAOYSA-N 1 0 252.383 2.024 10 0 CEAERO CCOC(=O)[C@H](C)Sc1cccc(C[NH2+]C)c1 ZINC000090870956 180049227 /nfs/dbraw/zinc/04/92/27/180049227.db2.gz TWJSCNLWYKDOLQ-JTQLQIEISA-N 1 0 253.367 2.450 10 0 CEAERO CCCNC(=O)[C@@H](C)Sc1cccc(C[NH2+]C)c1 ZINC000090870733 180049414 /nfs/dbraw/zinc/04/94/14/180049414.db2.gz GWJUQOKOWVRYLW-LLVKDONJSA-N 1 0 266.410 2.413 10 0 CEAERO CCC[NH2+]Cc1cccc(SCCOCCO)c1 ZINC000090871460 180049608 /nfs/dbraw/zinc/04/96/08/180049608.db2.gz LGFGJEYMGVVDAW-UHFFFAOYSA-N 1 0 269.410 2.287 10 0 CEAERO Cc1nn(C[C@H]2Cc3ccccc3O2)c(C)c1C[C@@H](C)[NH3+] ZINC000090877419 180051772 /nfs/dbraw/zinc/05/17/72/180051772.db2.gz MVFHUFFFIPJBTL-IAQYHMDHSA-N 1 0 285.391 2.393 10 0 CEAERO CCC[N@@H+](CC(N)=S)C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090898428 180058190 /nfs/dbraw/zinc/05/81/90/180058190.db2.gz GOUWLQLYFBRHEW-ZDUSSCGKSA-N 1 0 278.421 2.297 10 0 CEAERO CC[NH2+]Cc1ccnn1C[C@H]1Cc2cc(C)ccc2O1 ZINC000090901934 180059924 /nfs/dbraw/zinc/05/99/24/180059924.db2.gz QSLWZAQZHIPYJB-OAHLLOKOSA-N 1 0 271.364 2.305 10 0 CEAERO [NH3+]C[C@H](c1ccc(Cl)cc1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905401 180060056 /nfs/dbraw/zinc/06/00/56/180060056.db2.gz OYNAGTCPSWVWAK-HZSPNIEDSA-N 1 0 266.772 2.203 10 0 CEAERO CCC[C@H]1CN(C[C@@H]2Cc3cc(C)ccc3O2)CC[NH2+]1 ZINC000090902422 180060086 /nfs/dbraw/zinc/06/00/86/180060086.db2.gz ZMRBEOXUNKLDQH-HOTGVXAUSA-N 1 0 274.408 2.372 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[C@]1(C[NH3+])CCC[C@@H]1O)O2 ZINC000090902705 180060483 /nfs/dbraw/zinc/06/04/83/180060483.db2.gz XPRIPFAEFSRCQF-KBMXLJTQSA-N 1 0 261.365 2.179 10 0 CEAERO Clc1ccc2c(c1)C[C@@H](C[NH2+]C[C@@H]1CCOC1)O2 ZINC000090903840 180060497 /nfs/dbraw/zinc/06/04/97/180060497.db2.gz DYCLPYAFIWZSTN-GWCFXTLKSA-N 1 0 267.756 2.270 10 0 CEAERO C[NH2+][C@@H](CN1C[C@H]2CC[C@@H](C1)O2)c1ccc(C)c(C)c1 ZINC000090906162 180060738 /nfs/dbraw/zinc/06/07/38/180060738.db2.gz QRNCDQOMKAIBOY-BBWFWOEESA-N 1 0 274.408 2.427 10 0 CEAERO Cc1ccccc1C(=O)CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000090907421 180061095 /nfs/dbraw/zinc/06/10/95/180061095.db2.gz PRXVGQBFMGDWQQ-OKILXGFUSA-N 1 0 259.349 2.431 10 0 CEAERO CC[NH2+][C@H](CN1C[C@H]2CC[C@@H](C1)O2)c1ccccc1OC ZINC000090906086 180061351 /nfs/dbraw/zinc/06/13/51/180061351.db2.gz QTJCOQAFDICVGS-IJEWVQPXSA-N 1 0 290.407 2.209 10 0 CEAERO C[NH2+][C@@H](CCN1C[C@H]2CC[C@@H](C1)O2)c1cccc(F)c1 ZINC000090907601 180061667 /nfs/dbraw/zinc/06/16/67/180061667.db2.gz PWDBFUFEROKOSQ-XHSDSOJGSA-N 1 0 278.371 2.340 10 0 CEAERO CC(C)(C)[NH2+]Cc1cnc(N2C[C@H]3CC[C@@H](C2)O3)s1 ZINC000090908136 180061750 /nfs/dbraw/zinc/06/17/50/180061750.db2.gz OGEHXASJSBXVDR-PHIMTYICSA-N 1 0 281.425 2.399 10 0 CEAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1ccc2cc[nH]c2c1 ZINC000104503280 186008828 /nfs/dbraw/zinc/00/88/28/186008828.db2.gz UVOZOLLOMPLEJT-LBPRGKRZSA-N 1 0 271.364 2.192 10 0 CEAERO COC[C@@H](O)CC[NH2+][C@H](Cc1ccccc1OC)C(C)C ZINC000090949530 180071336 /nfs/dbraw/zinc/07/13/36/180071336.db2.gz RKAHIPNGAREOOY-JKSUJKDBSA-N 1 0 295.423 2.249 10 0 CEAERO CC(=O)Nc1ccsc1CNCCC[NH+]1CCCC1 ZINC000090959135 180075591 /nfs/dbraw/zinc/07/55/91/180075591.db2.gz UHLRLPPFRSYPPB-UHFFFAOYSA-N 1 0 281.425 2.282 10 0 CEAERO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1sccc1N ZINC000090959863 180075712 /nfs/dbraw/zinc/07/57/12/180075712.db2.gz NDZGHYRBNLOTDN-LLVKDONJSA-N 1 0 262.382 2.231 10 0 CEAERO C[C@@H]1CCC[C@@](O)(C[NH2+]Cc2sccc2N)C1 ZINC000090960850 180076398 /nfs/dbraw/zinc/07/63/98/180076398.db2.gz ZHXREQPGCNPLAS-MFKMUULPSA-N 1 0 254.399 2.361 10 0 CEAERO NC(=S)C1CC[NH+](C[C@H]2Cc3ccccc32)CC1 ZINC000090977092 180078976 /nfs/dbraw/zinc/07/89/76/180078976.db2.gz ICUJOOGISYNBEC-CYBMUJFWSA-N 1 0 260.406 2.324 10 0 CEAERO CC(C)CN(CCC[NH3+])C(=O)[C@H]1Cc2ccccc21 ZINC000090982640 180079576 /nfs/dbraw/zinc/07/95/76/180079576.db2.gz PGGZKSNKSIFYOM-HNNXBMFYSA-N 1 0 260.381 2.160 10 0 CEAERO [NH3+]Cc1ccc(CNC(=O)[C@H]2Cc3ccccc32)cc1 ZINC000090982613 180079643 /nfs/dbraw/zinc/07/96/43/180079643.db2.gz TVJYATCJRDEKKB-INIZCTEOSA-N 1 0 266.344 2.101 10 0 CEAERO CN(C(=O)[C@@H]1Cc2ccccc21)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000090985639 180080745 /nfs/dbraw/zinc/08/07/45/180080745.db2.gz MPMGNKPJSUXTOM-FVQBIDKESA-N 1 0 272.392 2.302 10 0 CEAERO CC[NH2+]CCc1nnc([C@@H]2Cc3ccccc32)s1 ZINC000090991985 180081297 /nfs/dbraw/zinc/08/12/97/180081297.db2.gz ZNOAATAJUHOWCU-GFCCVEGCSA-N 1 0 259.378 2.378 10 0 CEAERO COc1ccc([C@H](C[NH3+])[C@@H](O)[C@@H]2Cc3ccccc32)cc1 ZINC000090991856 180081384 /nfs/dbraw/zinc/08/13/84/180081384.db2.gz WIRKEQCSMLNVSH-SQNIBIBYSA-N 1 0 283.371 2.438 10 0 CEAERO [NH3+]C[C@H](c1ccccc1)[C@@H](O)[C@@H]1Cc2ccccc21 ZINC000090991839 180081477 /nfs/dbraw/zinc/08/14/77/180081477.db2.gz PTRAILADXIVIPA-ZACQAIPSSA-N 1 0 253.345 2.430 10 0 CEAERO C[NH2+]Cc1cn(CC(=O)NCC(F)(F)F)c2ccccc12 ZINC000090995333 180082632 /nfs/dbraw/zinc/08/26/32/180082632.db2.gz HOMSXYVXEBSEDX-UHFFFAOYSA-N 1 0 299.296 2.039 10 0 CEAERO CCn1nc(C)c(Cl)c1Cn1cccc1C[NH3+] ZINC000090995125 180082923 /nfs/dbraw/zinc/08/29/23/180082923.db2.gz CDIQXSYDQOYTGZ-UHFFFAOYSA-N 1 0 252.749 2.173 10 0 CEAERO CC(C)[NH2+]Cc1cccn1Cc1ncc(Cl)n1C ZINC000091001153 180083296 /nfs/dbraw/zinc/08/32/96/180083296.db2.gz VVFMBIHRFSQLBV-UHFFFAOYSA-N 1 0 266.776 2.421 10 0 CEAERO CCC[NH2+]Cc1ccn(CC(=O)NC(C)(C)CC)c1 ZINC000091003399 180083959 /nfs/dbraw/zinc/08/39/59/180083959.db2.gz YNSHEXBYTMPBIU-UHFFFAOYSA-N 1 0 265.401 2.293 10 0 CEAERO [NH3+]CCc1cccn1C[C@H]1Cc2cc(F)ccc2O1 ZINC000091004954 180083984 /nfs/dbraw/zinc/08/39/84/180083984.db2.gz JLRUXJWLWRVKQW-CQSZACIVSA-N 1 0 260.312 2.132 10 0 CEAERO CCC(C)(C)NC(=O)Cn1ccc(C[NH2+]C(C)C)c1 ZINC000091003658 180084151 /nfs/dbraw/zinc/08/41/51/180084151.db2.gz ZXRZVMQTCBQIIZ-UHFFFAOYSA-N 1 0 265.401 2.291 10 0 CEAERO CCn1nc(C)c(Cl)c1Cn1cccc1CC[NH3+] ZINC000091004955 180084770 /nfs/dbraw/zinc/08/47/70/180084770.db2.gz ATSFMLBNGULPAN-UHFFFAOYSA-N 1 0 266.776 2.216 10 0 CEAERO OC[C@H]1CCCC[C@H]1C[NH2+]Cc1c[nH]c2ncccc12 ZINC000091019110 180086756 /nfs/dbraw/zinc/08/67/56/180086756.db2.gz DBISFJCSMSUEQV-QWHCGFSZSA-N 1 0 273.380 2.451 10 0 CEAERO CCCn1ccc(C[NH2+]C[C@H]2CCC[C@@H]2CO)c1 ZINC000091016020 180087099 /nfs/dbraw/zinc/08/70/99/180087099.db2.gz NOCZILCFGLJVSB-HUUCEWRRSA-N 1 0 250.386 2.396 10 0 CEAERO OCc1cn(CCC[NH+]2CCCC2)c2ncccc12 ZINC000091018275 180087105 /nfs/dbraw/zinc/08/71/05/180087105.db2.gz YAXOYQXLVUJBIT-UHFFFAOYSA-N 1 0 259.353 2.015 10 0 CEAERO OCC1([NH2+]Cc2c[nH]c3ncccc23)CCCCC1 ZINC000091018087 180087184 /nfs/dbraw/zinc/08/71/84/180087184.db2.gz VEJXYZWDFUKDPH-UHFFFAOYSA-N 1 0 259.353 2.348 10 0 CEAERO COC(=O)CCCn1cc(C[NH2+]C(C)C)c2cccnc21 ZINC000091020574 180088000 /nfs/dbraw/zinc/08/80/00/180088000.db2.gz WCGYCEFLFNDXBZ-UHFFFAOYSA-N 1 0 289.379 2.488 10 0 CEAERO C[C@H]([NH3+])Cc1cn(CC[C@@H]2CCCO2)c2ncccc12 ZINC000091021712 180088677 /nfs/dbraw/zinc/08/86/77/180088677.db2.gz HFNPISRELFOGHU-JSGCOSHPSA-N 1 0 273.380 2.495 10 0 CEAERO c1cn(CCn2cc(C[NH2+]C3CC3)c3cccnc32)cn1 ZINC000091020895 180088869 /nfs/dbraw/zinc/08/88/69/180088869.db2.gz OUCZMSZZJDBALI-UHFFFAOYSA-N 1 0 281.363 2.185 10 0 CEAERO CC[C@@H]([NH3+])Cc1cn(C[C@H]2CCCO2)c2ncccc12 ZINC000091022009 180088887 /nfs/dbraw/zinc/08/88/87/180088887.db2.gz ICXMFAQQGGLJMT-ZIAGYGMSSA-N 1 0 273.380 2.495 10 0 CEAERO [NH3+]CCc1cn(CCC(F)(F)F)c2ncccc12 ZINC000091021315 180088934 /nfs/dbraw/zinc/08/89/34/180088934.db2.gz IRDMXZLKHDBRFF-UHFFFAOYSA-N 1 0 257.259 2.490 10 0 CEAERO C[C@H]([NH3+])c1nc(-c2nc(-c3ccoc3)no2)cs1 ZINC000090939083 180068106 /nfs/dbraw/zinc/06/81/06/180068106.db2.gz VJKSNRMAFWGRLA-LURJTMIESA-N 1 0 262.294 2.473 10 0 CEAERO Cc1nnc(-c2csc([C@H](C)[NH3+])n2)n1C(C)C ZINC000090945102 180069640 /nfs/dbraw/zinc/06/96/40/180069640.db2.gz WDGUWKXVFYIWNU-ZETCQYMHSA-N 1 0 251.359 2.311 10 0 CEAERO CC1(C)C[C@@]1(C[NH3+])C1(O)CC(OCc2ccccc2)C1 ZINC000669377318 539760121 /nfs/dbraw/zinc/76/01/21/539760121.db2.gz MHCNZQHFEJEHJZ-WIHSUSGWSA-N 1 0 275.392 2.472 10 0 CEAERO CC(C)(C)NC(=O)C[C@@H](CN)[N@@H+]1CCCC(C)(C)CC1 ZINC000091321748 180134659 /nfs/dbraw/zinc/13/46/59/180134659.db2.gz DRHUXFOCGXNQSB-ZDUSSCGKSA-N 1 0 283.460 2.131 10 0 CEAERO CCC(CC)C[N@H+](CC)[C@H](CN)CC(=O)N1CCCCC1 ZINC000091325271 180135312 /nfs/dbraw/zinc/13/53/12/180135312.db2.gz DIGDUJQELUJIFI-INIZCTEOSA-N 1 0 297.487 2.474 10 0 CEAERO C[C@@H](O)[C@@](C[NH3+])(CCOCC(F)(F)F)c1ccccc1 ZINC000091327875 180135764 /nfs/dbraw/zinc/13/57/64/180135764.db2.gz GZQSSLVTFVIPBN-YPMHNXCESA-N 1 0 291.313 2.233 10 0 CEAERO C[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000091345108 180137129 /nfs/dbraw/zinc/13/71/29/180137129.db2.gz SVBQBDQPUWMMHY-WOPDTQHZSA-N 1 0 261.369 2.241 10 0 CEAERO Cc1ccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)n1C ZINC000091359758 180140696 /nfs/dbraw/zinc/14/06/96/180140696.db2.gz ZBUDEMNZKQEGQV-BPUTZDHNSA-N 1 0 289.423 2.261 10 0 CEAERO CC[C@@H]1CN(C[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)CCO1 ZINC000091362276 180141795 /nfs/dbraw/zinc/14/17/95/180141795.db2.gz GLUQFXSMRUCRLU-JONQDZQNSA-N 1 0 266.429 2.408 10 0 CEAERO COc1ccc([C@H]([NH3+])CSC[C@@H](C)CO)cc1 ZINC000091261411 180115885 /nfs/dbraw/zinc/11/58/85/180115885.db2.gz MCIGFKDKYYXXLL-GXFFZTMASA-N 1 0 255.383 2.057 10 0 CEAERO C[C@H](CCO)Sc1nc2c(cc1C(N)=[NH2+])CCCC2 ZINC000091263978 180116522 /nfs/dbraw/zinc/11/65/22/180116522.db2.gz VPXFGNLGPDZQOI-SECBINFHSA-N 1 0 279.409 2.107 10 0 CEAERO CCCN1C(=O)CCC[C@@H]([NH3+])[C@H]1c1cncn1C1CC1 ZINC000091275591 180118832 /nfs/dbraw/zinc/11/88/32/180118832.db2.gz VVXAMCDNRIFIBJ-DOMZBBRYSA-N 1 0 276.384 2.009 10 0 CEAERO C[C@@H]1CCCCCN1[C@@H](C[NH3+])c1cncn1C1CC1 ZINC000091276596 180119675 /nfs/dbraw/zinc/11/96/75/180119675.db2.gz YBDCAZZSHRPSFS-OCCSQVGLSA-N 1 0 262.401 2.482 10 0 CEAERO [NH3+]C[C@H](Nc1ccccc1F)c1cncn1C1CC1 ZINC000091276656 180119911 /nfs/dbraw/zinc/11/99/11/180119911.db2.gz MIUKEGATYDVQIZ-ZDUSSCGKSA-N 1 0 260.316 2.469 10 0 CEAERO CCC(CC)N(C)[C@@H](C[NH3+])c1cncn1C1CC1 ZINC000091276269 180120062 /nfs/dbraw/zinc/12/00/62/180120062.db2.gz TWLBYAQFLLALFR-ZDUSSCGKSA-N 1 0 250.390 2.338 10 0 CEAERO Cn1cncc1COc1cccc(C[NH2+]C2CC2)c1 ZINC000091278282 180120784 /nfs/dbraw/zinc/12/07/84/180120784.db2.gz NUDHXVLAPZXHSM-UHFFFAOYSA-N 1 0 257.337 2.251 10 0 CEAERO CCSc1ccccc1NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000091300508 180127961 /nfs/dbraw/zinc/12/79/61/180127961.db2.gz LVXDUHYGRWRVIG-LLVKDONJSA-N 1 0 280.393 2.116 10 0 CEAERO c1sc([C@H]2C[NH2+]CCO2)nc1Cc1ccccc1 ZINC000091500228 180174867 /nfs/dbraw/zinc/17/48/67/180174867.db2.gz FKQQFDILNHLSOA-CYBMUJFWSA-N 1 0 260.362 2.395 10 0 CEAERO CCNc1ccc(CN2CCC[C@H]([NH+](C)C)C2)cn1 ZINC000091432292 180153455 /nfs/dbraw/zinc/15/34/55/180153455.db2.gz MDABPAPNKPCCIW-AWEZNQCLSA-N 1 0 262.401 2.039 10 0 CEAERO [NH3+]Cc1cncc(O[C@@H]2CCCc3ccccc32)n1 ZINC000091433634 180154321 /nfs/dbraw/zinc/15/43/21/180154321.db2.gz MYXUNAHZHKKJTG-CQSZACIVSA-N 1 0 255.321 2.392 10 0 CEAERO C[C@H](O)c1ccc(NC(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000091433275 180154556 /nfs/dbraw/zinc/15/45/56/180154556.db2.gz CGOFOXOWLFRYIZ-SWLSCSKDSA-N 1 0 291.395 2.298 10 0 CEAERO CC1(C)CC[N@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000091439767 180156167 /nfs/dbraw/zinc/15/61/67/180156167.db2.gz QYFIISYJQWIJEC-HNNXBMFYSA-N 1 0 263.381 2.296 10 0 CEAERO C[N@H+](CC1CC(O)C1)[C@H](CC(N)=S)c1ccccc1 ZINC000091461797 180161404 /nfs/dbraw/zinc/16/14/04/180161404.db2.gz QGTTYVZLAVJGIG-UXUKBGGZSA-N 1 0 278.421 2.107 10 0 CEAERO C[NH2+]Cc1cc2ccccc2nc1N(C)CC1CC(O)C1 ZINC000091463653 180162190 /nfs/dbraw/zinc/16/21/90/180162190.db2.gz CPLQZVNQGUYXMB-UHFFFAOYSA-N 1 0 285.391 2.161 10 0 CEAERO Cc1cccc([C@H]([C@@H](C)[NH3+])N(C)CC2CC(O)C2)c1 ZINC000091464231 180163107 /nfs/dbraw/zinc/16/31/07/180163107.db2.gz AFJQEJWGUNJFOZ-XCAIRMDXSA-N 1 0 262.397 2.086 10 0 CEAERO COc1ccccc1C[C@@](C)(O)CC[NH2+]C(C)C ZINC000091465821 180163435 /nfs/dbraw/zinc/16/34/35/180163435.db2.gz PFZIAAIUTAMUPJ-HNNXBMFYSA-N 1 0 251.370 2.377 10 0 CEAERO CC[C@H]([NH2+]C)c1nnc(-c2ccncc2Cl)o1 ZINC000091465277 180163444 /nfs/dbraw/zinc/16/34/44/180163444.db2.gz CQGXXRQPMKFHCS-VIFPVBQESA-N 1 0 252.705 2.456 10 0 CEAERO COCC[NH2+]C[C@@H](O)C[C@H]1CCCc2ccccc21 ZINC000091470264 180164824 /nfs/dbraw/zinc/16/48/24/180164824.db2.gz GIZNNRHQEABFFH-CABCVRRESA-N 1 0 263.381 2.094 10 0 CEAERO COc1ccc(CC[C@@H](O)C[NH2+]C(C)(C)C)cc1 ZINC000091470555 180164944 /nfs/dbraw/zinc/16/49/44/180164944.db2.gz NCKQNLMWKPOEJM-CYBMUJFWSA-N 1 0 251.370 2.377 10 0 CEAERO CC[NH2+]CC[C@@](C)(O)CCc1ccc(OC)cc1 ZINC000091469321 180165047 /nfs/dbraw/zinc/16/50/47/180165047.db2.gz DYTWSXQVVDPJKX-HNNXBMFYSA-N 1 0 251.370 2.378 10 0 CEAERO C[NH2+]CC1CC(OCc2ncc(C)c(OC)c2C)C1 ZINC000091473143 180165465 /nfs/dbraw/zinc/16/54/65/180165465.db2.gz RLGPEMPZSLZVQK-UHFFFAOYSA-N 1 0 264.369 2.222 10 0 CEAERO COCC[NH2+]CC[C@](C)(O)c1cc(C)c(C)cc1C ZINC000091504398 180175395 /nfs/dbraw/zinc/17/53/95/180175395.db2.gz VJEDDXVYCSCMMX-INIZCTEOSA-N 1 0 265.397 2.445 10 0 CEAERO C[C@@H]1CCC[C@@H](C[NH3+])N1C(=O)C1C(C)(C)C1(C)C ZINC000091492756 180170471 /nfs/dbraw/zinc/17/04/71/180170471.db2.gz ZBMJBUPZNAPYRH-MNOVXSKESA-N 1 0 252.402 2.397 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)Nc1cccc(F)c1 ZINC000091496749 180172448 /nfs/dbraw/zinc/17/24/48/180172448.db2.gz ATOKJZWFNQOLAN-JOYOIKCWSA-N 1 0 251.305 2.088 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1N1C(=O)CC2(CCCCCC2)C1=O ZINC000091497294 180173029 /nfs/dbraw/zinc/17/30/29/180173029.db2.gz JZRXGMUZZMADDB-STQMWFEESA-N 1 0 278.396 2.226 10 0 CEAERO Cc1ncccc1NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000091497525 180173201 /nfs/dbraw/zinc/17/32/01/180173201.db2.gz VWSLMGHJZPHVSL-UHFFFAOYSA-N 1 0 256.309 2.493 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(Cc2cc(N)ccc2Cl)C1 ZINC000091393853 180145725 /nfs/dbraw/zinc/14/57/25/180145725.db2.gz LORMGUYNMNDOFF-CYBMUJFWSA-N 1 0 267.804 2.448 10 0 CEAERO CN(C)[C@@H]1CCC[N@@H+]([C@@H](CC(N)=S)c2ccccc2)C1 ZINC000091393142 180145826 /nfs/dbraw/zinc/14/58/26/180145826.db2.gz JSAOSHKVKDYEOU-CABCVRRESA-N 1 0 291.464 2.430 10 0 CEAERO CCOc1ccc(C(=O)CN2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091395052 180146691 /nfs/dbraw/zinc/14/66/91/180146691.db2.gz XYHMHCYNNYNMOL-HNNXBMFYSA-N 1 0 290.407 2.294 10 0 CEAERO O=C1CC2(CN1Cc1ccccc1Cl)CC[NH2+]CC2 ZINC000091412538 180149018 /nfs/dbraw/zinc/14/90/18/180149018.db2.gz SIRVNWIHDYVQAU-UHFFFAOYSA-N 1 0 278.783 2.442 10 0 CEAERO c1ccc2c(c1)Cc1sc([C@@H]3C[NH2+]CCO3)nc1-2 ZINC000091501001 180174796 /nfs/dbraw/zinc/17/47/96/180174796.db2.gz LXNUNKMNCVUODQ-NSHDSACASA-N 1 0 258.346 2.375 10 0 CEAERO C[NH2+]Cc1cncc(N(C)Cc2ccccc2C)n1 ZINC000091420619 180150864 /nfs/dbraw/zinc/15/08/64/180150864.db2.gz DDSIXENLKXXQGK-UHFFFAOYSA-N 1 0 256.353 2.141 10 0 CEAERO CCn1cc([C@@H](O)C(C)(C)[NH+]2CCCCC2)cn1 ZINC000091563988 180192891 /nfs/dbraw/zinc/19/28/91/180192891.db2.gz LIANBHHRGHLMJQ-CYBMUJFWSA-N 1 0 251.374 2.201 10 0 CEAERO C[C@H](NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccccn1 ZINC000105080185 186040791 /nfs/dbraw/zinc/04/07/91/186040791.db2.gz YBKIDBSFAKJUOW-UONOGXRCSA-N 1 0 288.395 2.022 10 0 CEAERO CCc1cc(C[C@@H](O)C(C)(C)[NH+]2CCCCC2)n(C)n1 ZINC000091564045 180193335 /nfs/dbraw/zinc/19/33/35/180193335.db2.gz WCGROOMHPCGNNR-OAHLLOKOSA-N 1 0 279.428 2.150 10 0 CEAERO Cc1cc(C)cc(C[C@H](O)C(C)(C)[NH+]2CCOCC2)c1 ZINC000091565687 180193776 /nfs/dbraw/zinc/19/37/76/180193776.db2.gz IRIKNJRCWAEURR-INIZCTEOSA-N 1 0 277.408 2.318 10 0 CEAERO CCOc1ccc([C@@H]([NH2+]C)C(C)(C)N2CCOCC2)cc1 ZINC000091566515 180193896 /nfs/dbraw/zinc/19/38/96/180193896.db2.gz CAMBPWCWCUITDR-MRXNPFEDSA-N 1 0 292.423 2.457 10 0 CEAERO C[NH2+][C@@H](c1ccccc1OC)C(C)(C)N1CCOCC1 ZINC000091566462 180193932 /nfs/dbraw/zinc/19/39/32/180193932.db2.gz CTAXLGNHYXOPNA-HNNXBMFYSA-N 1 0 278.396 2.067 10 0 CEAERO CCOc1ccccc1[C@@H]([NH2+]C)C(C)(C)N1CCOCC1 ZINC000091566707 180194728 /nfs/dbraw/zinc/19/47/28/180194728.db2.gz LFFFGKKCQZWBCF-MRXNPFEDSA-N 1 0 292.423 2.457 10 0 CEAERO CCn1ncnc1CC(=O)C(C)(C)[NH+]1CCCCCC1 ZINC000091567385 180195047 /nfs/dbraw/zinc/19/50/47/180195047.db2.gz VXPIQQAOJQNYIK-UHFFFAOYSA-N 1 0 278.400 2.064 10 0 CEAERO CCc1cc(C[C@H](N)[C@@](C)(CC)[NH+](C)C)n(CC)n1 ZINC000091569952 180195637 /nfs/dbraw/zinc/19/56/37/180195637.db2.gz CHTPPCDWADNLSN-LSDHHAIUSA-N 1 0 266.433 2.066 10 0 CEAERO CC[C@](C)([C@H](O)Cc1ccn(C(C)C)n1)[NH+](C)C ZINC000091569473 180195828 /nfs/dbraw/zinc/19/58/28/180195828.db2.gz GOBFWGBPWLXQJH-ZIAGYGMSSA-N 1 0 253.390 2.098 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@H](O)CCCS(=O)(=O)CC ZINC000091573316 180196391 /nfs/dbraw/zinc/19/63/91/180196391.db2.gz PFNSQQBKZKSNSZ-KGLIPLIRSA-N 1 0 293.473 2.073 10 0 CEAERO CCN(CC)[C@](C)(CC)[C@@H]([NH3+])CCCS(=O)(=O)CC ZINC000091573471 180196422 /nfs/dbraw/zinc/19/64/22/180196422.db2.gz XCBZCJKFVOGESH-UONOGXRCSA-N 1 0 292.489 2.039 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@@H](N)Cc1cccnc1N ZINC000091573723 180196560 /nfs/dbraw/zinc/19/65/60/180196560.db2.gz KTATWMONCGNDLY-DZGCQCFKSA-N 1 0 264.417 2.044 10 0 CEAERO Cc1cccc(CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000105109598 186042241 /nfs/dbraw/zinc/04/22/41/186042241.db2.gz HPMPSCNUWCGCBA-MRXNPFEDSA-N 1 0 287.407 2.375 10 0 CEAERO CCCN1C(=O)C[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C1=O ZINC000105088420 186042729 /nfs/dbraw/zinc/04/27/29/186042729.db2.gz WORPTAONAUGGET-GWCFXTLKSA-N 1 0 278.327 2.014 10 0 CEAERO CC[C@](C)([C@@H](O)Cc1ncnn1C(C)C)[NH+]1CCCC1 ZINC000091602848 180203167 /nfs/dbraw/zinc/20/31/67/180203167.db2.gz DVDYEKGQJRYTQY-DZGCQCFKSA-N 1 0 280.416 2.027 10 0 CEAERO CC[NH2+][C@@H](Cc1cnn(C)c1)[C@](C)(CC)N1CCCC1 ZINC000091607223 180203837 /nfs/dbraw/zinc/20/38/37/180203837.db2.gz AHMMOUVSAHXLAD-HOTGVXAUSA-N 1 0 278.444 2.205 10 0 CEAERO CC[NH2+][C@H](Cc1ncnn1CC)[C@@](C)(CC)N1CCCC1 ZINC000091607582 180204013 /nfs/dbraw/zinc/20/40/13/180204013.db2.gz ITJHFITWVHKMQG-GDBMZVCRSA-N 1 0 293.459 2.083 10 0 CEAERO CC[C@](C)([C@H](O)Cc1ncnn1C(C)C)[NH+]1CCCCC1 ZINC000091608434 180205782 /nfs/dbraw/zinc/20/57/82/180205782.db2.gz KPVONCBMDICXNC-GDBMZVCRSA-N 1 0 294.443 2.417 10 0 CEAERO CC[C@@](C)([C@H](Cc1ccnc(N)c1)[NH2+]C)N1CCCCC1 ZINC000091609643 180205863 /nfs/dbraw/zinc/20/58/63/180205863.db2.gz HHGHCIRONNKFGQ-RDJZCZTQSA-N 1 0 290.455 2.449 10 0 CEAERO CC[C@](C)([C@H]([NH2+]C)c1cnn(C)c1)N1CCCCC1 ZINC000091609862 180205882 /nfs/dbraw/zinc/20/58/82/180205882.db2.gz MHHRFSNTJSVIRU-HUUCEWRRSA-N 1 0 264.417 2.335 10 0 CEAERO CC[C@@](C)([C@H]([NH3+])C1CCCCC1)N1CCOCC1 ZINC000091611849 180206814 /nfs/dbraw/zinc/20/68/14/180206814.db2.gz NJMUMDIROUTINL-CABCVRRESA-N 1 0 254.418 2.395 10 0 CEAERO CCCn1ccnc1[C@H]([NH2+]C)[C@@](C)(CC)N1CCOCC1 ZINC000091612657 180207279 /nfs/dbraw/zinc/20/72/79/180207279.db2.gz MWPNYWNQCQKSRQ-GOEBONIOSA-N 1 0 294.443 2.055 10 0 CEAERO CC[C@@](C)([C@H](Cc1ccc(F)cc1)[NH2+]C)N1CCOCC1 ZINC000091612587 180207469 /nfs/dbraw/zinc/20/74/69/180207469.db2.gz XOSOURDMBKRWHO-IRXDYDNUSA-N 1 0 294.414 2.457 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1cc(C)cc(F)c1 ZINC000091513906 180176996 /nfs/dbraw/zinc/17/69/96/180176996.db2.gz XAALQTVIHPBAMF-ZIAGYGMSSA-N 1 0 280.343 2.087 10 0 CEAERO CCCn1cc([C@](C)(O)CC[NH2+]C(C)(C)C)cn1 ZINC000091520205 180178175 /nfs/dbraw/zinc/17/81/75/180178175.db2.gz MFADCMBIGKVVDM-CQSZACIVSA-N 1 0 253.390 2.279 10 0 CEAERO CC1(C)Cc2cc(C[NH2+]CC3CC(O)C3)ccc2O1 ZINC000091524149 180178202 /nfs/dbraw/zinc/17/82/02/180178202.db2.gz FGHHEOYNZHBSGO-UHFFFAOYSA-N 1 0 261.365 2.261 10 0 CEAERO C[C@](O)(C[NH3+])Cc1nc2cccc(Cl)c2n1C1CC1 ZINC000091520370 180178238 /nfs/dbraw/zinc/17/82/38/180178238.db2.gz NKIKWHQRTWPPIR-CQSZACIVSA-N 1 0 279.771 2.277 10 0 CEAERO C[C@@](O)(C[NH3+])Cc1nc(-c2ccc3ccccc3c2)no1 ZINC000091522896 180178409 /nfs/dbraw/zinc/17/84/09/180178409.db2.gz CAFWTFQXKQZMLC-INIZCTEOSA-N 1 0 283.331 2.142 10 0 CEAERO CC(C)c1ccc([C@H](O)C[NH2+]CC2CC(O)C2)cc1 ZINC000091525499 180178805 /nfs/dbraw/zinc/17/88/05/180178805.db2.gz DJPZBVKDQKXSRX-VDSRIPIWSA-N 1 0 263.381 2.204 10 0 CEAERO CCc1nn(C)c(CC(=O)C(C)(C)[NH+](C)C)c1Cl ZINC000091528133 180179390 /nfs/dbraw/zinc/17/93/90/180179390.db2.gz CMRQPUVJVWLATG-UHFFFAOYSA-N 1 0 271.792 2.088 10 0 CEAERO COc1ccc([C@H](N)C(C)(C)[NH+](C)C)c(OC)c1 ZINC000091528366 180179511 /nfs/dbraw/zinc/17/95/11/180179511.db2.gz PEFIUURICOQSHB-ZDUSSCGKSA-N 1 0 252.358 2.044 10 0 CEAERO CC[NH2+][C@@H](Cc1cc(CC)nn1CC)C(C)(C)N(C)C ZINC000091529100 180180857 /nfs/dbraw/zinc/18/08/57/180180857.db2.gz DYIAFKPLGJGDFR-HNNXBMFYSA-N 1 0 280.460 2.326 10 0 CEAERO CC[NH2+][C@H](c1cnccn1)C(C)(C)N(CC)CC ZINC000091531320 180181011 /nfs/dbraw/zinc/18/10/11/180181011.db2.gz ZLBPGJMIWQKYEC-CYBMUJFWSA-N 1 0 250.390 2.248 10 0 CEAERO CCN[C@H](c1nccn1CC)C(C)(C)[NH+]1CCCC1 ZINC000091535714 180182254 /nfs/dbraw/zinc/18/22/54/180182254.db2.gz JLISUKDKZKPWOM-CYBMUJFWSA-N 1 0 264.417 2.428 10 0 CEAERO CC(C)CN(CC(F)(F)F)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091539445 180183260 /nfs/dbraw/zinc/18/32/60/180183260.db2.gz ZNTYSNSJQVDZCX-UWVGGRQHSA-N 1 0 266.307 2.161 10 0 CEAERO Cc1cc(-c2nnco2)ccc1NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091542119 180184527 /nfs/dbraw/zinc/18/45/27/180184527.db2.gz MBPOHGXSMCLJHE-JQWIXIFHSA-N 1 0 286.335 2.111 10 0 CEAERO CC[C@H]([NH2+][C@H]1CC(=O)N(C2CCCC2)C1=O)C(C)C ZINC000105028332 186038176 /nfs/dbraw/zinc/03/81/76/186038176.db2.gz QSQSPRNKPGRKMC-STQMWFEESA-N 1 0 266.385 2.081 10 0 CEAERO CCCCC[C@H](C)[NH2+][C@H]1CC(=O)N([C@@H](C)CC)C1=O ZINC000105021308 186038372 /nfs/dbraw/zinc/03/83/72/186038372.db2.gz IDWKIUQCFCVDMJ-AVGNSLFASA-N 1 0 268.401 2.471 10 0 CEAERO CCCN1C(=O)C[C@H]([NH2+][C@@H](C)c2ccc(C)s2)C1=O ZINC000105034601 186038614 /nfs/dbraw/zinc/03/86/14/186038614.db2.gz KRZRXLDHYYFZNU-QWRGUYRKSA-N 1 0 280.393 2.245 10 0 CEAERO CCn1nc(C)cc1CC(=O)C1([NH+](C)C)CCCC1 ZINC000091636075 180211284 /nfs/dbraw/zinc/21/12/84/180211284.db2.gz JNPLUEXIEOSTIK-UHFFFAOYSA-N 1 0 263.385 2.197 10 0 CEAERO CCC(CC)([C@H](N)c1cnccc1N)[NH+]1CCCC1 ZINC000091634810 180211429 /nfs/dbraw/zinc/21/14/29/180211429.db2.gz AUTPKBWPGXOCEV-CQSZACIVSA-N 1 0 262.401 2.318 10 0 CEAERO CCc1cc(C[C@H](O)C2([NH+](C)C)CCCC2)n(CC)n1 ZINC000091636326 180211616 /nfs/dbraw/zinc/21/16/16/180211616.db2.gz MPECNAGJNKMVIU-HNNXBMFYSA-N 1 0 279.428 2.243 10 0 CEAERO C[NH+](C)C1([C@H](O)c2ccc3c(c2)OCCO3)CCCC1 ZINC000091636677 180211692 /nfs/dbraw/zinc/21/16/92/180211692.db2.gz AAGHLHAKUACVAU-OAHLLOKOSA-N 1 0 277.364 2.366 10 0 CEAERO CC[NH+](CC)C1([C@@H](NC)c2cnccn2)CCCC1 ZINC000091639451 180211877 /nfs/dbraw/zinc/21/18/77/180211877.db2.gz RTLGGYKBVGWNGH-AWEZNQCLSA-N 1 0 262.401 2.392 10 0 CEAERO COc1cccc(C[C@H](N)C2([NH+](C)C)CCCC2)c1 ZINC000091637389 180212708 /nfs/dbraw/zinc/21/27/08/180212708.db2.gz SCYUABFJOXHBBH-HNNXBMFYSA-N 1 0 262.397 2.439 10 0 CEAERO Nc1ncccc1C[C@@H](N)C1([NH+]2CCCCC2)CCCC1 ZINC000091641898 180213042 /nfs/dbraw/zinc/21/30/42/180213042.db2.gz DONLGYJAHFEWQZ-OAHLLOKOSA-N 1 0 288.439 2.332 10 0 CEAERO Nc1cc(C[C@@H](O)C2([NH+]3CCCCC3)CCCC2)ccn1 ZINC000091641619 180213149 /nfs/dbraw/zinc/21/31/49/180213149.db2.gz MFOISCKFBDBHRH-OAHLLOKOSA-N 1 0 289.423 2.366 10 0 CEAERO N[C@@H](c1cncnc1)C1([NH+]2CCCCC2)CCCC1 ZINC000091641845 180213153 /nfs/dbraw/zinc/21/31/53/180213153.db2.gz DOPKRDHONZCEQO-AWEZNQCLSA-N 1 0 260.385 2.275 10 0 CEAERO Nc1ncccc1CC(=O)C1([NH+]2CCCC2)CCCC1 ZINC000091640081 180213577 /nfs/dbraw/zinc/21/35/77/180213577.db2.gz PWRROCMBPXRQFB-UHFFFAOYSA-N 1 0 273.380 2.184 10 0 CEAERO [NH3+][C@H](Cc1cccc(F)c1)C1(N2CCOCC2)CCCC1 ZINC000091642960 180214038 /nfs/dbraw/zinc/21/40/38/180214038.db2.gz DLHHOIUPOSWLHK-MRXNPFEDSA-N 1 0 292.398 2.341 10 0 CEAERO [NH3+][C@@H](Cc1ccsc1)C1(N2CCOCC2)CCCC1 ZINC000091642975 180214189 /nfs/dbraw/zinc/21/41/89/180214189.db2.gz XMXPZEKMFHLAPX-AWEZNQCLSA-N 1 0 280.437 2.263 10 0 CEAERO C[NH2+][C@H](Cc1ccncc1)C1(N(C)C)CCCCC1 ZINC000091647655 180215320 /nfs/dbraw/zinc/21/53/20/180215320.db2.gz QJKVIPDSLPEKRE-OAHLLOKOSA-N 1 0 261.413 2.477 10 0 CEAERO CC[NH2+][C@@H](C(C)C)C1(N2CCOCC2)CCCC1 ZINC000091646277 180215623 /nfs/dbraw/zinc/21/56/23/180215623.db2.gz QNBWLVVILJRDSL-AWEZNQCLSA-N 1 0 254.418 2.266 10 0 CEAERO C[NH2+][C@H](c1cc(C)cnc1N)C1(N(C)C)CCCCC1 ZINC000091647434 180215708 /nfs/dbraw/zinc/21/57/08/180215708.db2.gz ZVTGJMJEHZVCMY-CQSZACIVSA-N 1 0 276.428 2.497 10 0 CEAERO C[C@H]1CCC[C@@](C(=O)Cc2cnn(C)c2)([NH+](C)C)C1 ZINC000091650063 180216653 /nfs/dbraw/zinc/21/66/53/180216653.db2.gz APHHWEUBSMYUPM-SWLSCSKDSA-N 1 0 263.385 2.042 10 0 CEAERO Cn1cc(CC(=O)C2([NH+](C)C)CCCCCC2)cn1 ZINC000091653590 180216783 /nfs/dbraw/zinc/21/67/83/180216783.db2.gz KLGIHSNPHKFFBF-UHFFFAOYSA-N 1 0 263.385 2.186 10 0 CEAERO C[NH2+][C@H](c1ccnn1C)[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC000091652801 180216880 /nfs/dbraw/zinc/21/68/80/180216880.db2.gz XUYDLTHRHZWQDT-YUELXQCFSA-N 1 0 264.417 2.191 10 0 CEAERO CCCn1ncnc1CC(=O)C1([NH+](C)C)CCCCCC1 ZINC000091653684 180217220 /nfs/dbraw/zinc/21/72/20/180217220.db2.gz AHAPTWIFMJIRMK-UHFFFAOYSA-N 1 0 292.427 2.454 10 0 CEAERO c1[nH]c2ccccc2c1C[NH2+]C[C@H]1CN2CCC[C@@H]2CO1 ZINC000091662904 180220092 /nfs/dbraw/zinc/22/00/92/180220092.db2.gz BANGPAIGKWKSEC-CABCVRRESA-N 1 0 285.391 2.121 10 0 CEAERO CC[NH+](CC)CC[C@H](NC)c1ccc2c(c1)OCCO2 ZINC000091716142 180232131 /nfs/dbraw/zinc/23/21/31/180232131.db2.gz VQDRPNHSRNMXDS-AWEZNQCLSA-N 1 0 278.396 2.450 10 0 CEAERO C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)[C@H]1CN(C)CCO1 ZINC000091717601 180232473 /nfs/dbraw/zinc/23/24/73/180232473.db2.gz GRLBTYBMSOYTPU-OLZOCXBDSA-N 1 0 288.313 2.297 10 0 CEAERO CC[NH2+][C@H](c1cc(C)cc(C)c1)[C@H]1CN(C)CCO1 ZINC000091718233 180233648 /nfs/dbraw/zinc/23/36/48/180233648.db2.gz TZTXYGWAWPPCFZ-HZPDHXFCSA-N 1 0 262.397 2.285 10 0 CEAERO CCC[NH2+][C@@H](c1ccccc1F)[C@@H]1CN(C)CCO1 ZINC000091719226 180234186 /nfs/dbraw/zinc/23/41/86/180234186.db2.gz QVCHEJXQOWJQPH-GJZGRUSLSA-N 1 0 266.360 2.197 10 0 CEAERO CCC[NH2+][C@H](C1CCCCC1)[C@@H]1CN(C)CCO1 ZINC000091719199 180234403 /nfs/dbraw/zinc/23/44/03/180234403.db2.gz SITXKEUGRGRUGK-LSDHHAIUSA-N 1 0 254.418 2.266 10 0 CEAERO CCC[NH2+][C@H](Cc1cccc(OC)c1)CN(C)C ZINC000091719915 180234412 /nfs/dbraw/zinc/23/44/12/180234412.db2.gz CZHGOQKOINSUBE-CQSZACIVSA-N 1 0 250.386 2.168 10 0 CEAERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1ccccc1Cl ZINC000624235439 350239323 /nfs/dbraw/zinc/23/93/23/350239323.db2.gz KHXTVOQVMMXNGM-XDTLVQLUSA-N 1 0 255.745 2.140 10 0 CEAERO C[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1ccc(F)c(Cl)c1 ZINC000624235804 350239550 /nfs/dbraw/zinc/23/95/50/350239550.db2.gz PRGXRTREJVMIKY-AQUOVQTQSA-N 1 0 273.735 2.280 10 0 CEAERO CC1(C)CC([NH2+][C@H]2CCOC[C@@H]2O)CC(C)(C)C1 ZINC000624238750 350241237 /nfs/dbraw/zinc/24/12/37/350241237.db2.gz XXQJTWZDYGTROV-STQMWFEESA-N 1 0 255.402 2.331 10 0 CEAERO CCc1ccc([C@H]([NH2+]C)c2ccc3c(c2)C(=O)NCC3)o1 ZINC000091760972 180247300 /nfs/dbraw/zinc/24/73/00/180247300.db2.gz ANPKJYNVCTYWDL-MRXNPFEDSA-N 1 0 284.359 2.437 10 0 CEAERO CCc1ccc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)o1 ZINC000091762462 180247324 /nfs/dbraw/zinc/24/73/24/180247324.db2.gz QIRZJBCVJMSYBZ-TZMCWYRMSA-N 1 0 276.380 2.446 10 0 CEAERO CCc1ccc(C(=O)N2C[C@@H](C[NH3+])CC[C@H]2C)o1 ZINC000091762813 180248166 /nfs/dbraw/zinc/24/81/66/180248166.db2.gz BTHKXYMFXYXFKF-GHMZBOCLSA-N 1 0 250.342 2.041 10 0 CEAERO CCc1ccc(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)o1 ZINC000091762625 180248197 /nfs/dbraw/zinc/24/81/97/180248197.db2.gz LZYWNAPSHOIFJB-AWEZNQCLSA-N 1 0 276.380 2.446 10 0 CEAERO CCc1ccc(C(=O)N[C@@H](C[NH3+])Cc2ccccc2)o1 ZINC000091777296 180251525 /nfs/dbraw/zinc/25/15/25/180251525.db2.gz WRAYLUNXJNKKKK-CYBMUJFWSA-N 1 0 272.348 2.142 10 0 CEAERO Cc1ccc(C)n1NC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000091787747 180256148 /nfs/dbraw/zinc/25/61/48/180256148.db2.gz JETZZPKGOBCUCC-ZDUSSCGKSA-N 1 0 251.374 2.186 10 0 CEAERO Cc1ccc(NC(=O)Cn2cccc2[C@@H](C)[NH3+])cc1 ZINC000091800091 180258975 /nfs/dbraw/zinc/25/89/75/180258975.db2.gz FSEPYYUTRNZGRH-GFCCVEGCSA-N 1 0 257.337 2.455 10 0 CEAERO CC[NH2+][C@@H](C)c1cccn1CC(=O)N(CC)CC ZINC000091801469 180259213 /nfs/dbraw/zinc/25/92/13/180259213.db2.gz NBGIGZZXZKQFOE-LBPRGKRZSA-N 1 0 251.374 2.027 10 0 CEAERO CC[NH2+][C@@H]1CCCc2sc([C@@H]3CN(C)CCO3)nc21 ZINC000091722550 180239841 /nfs/dbraw/zinc/23/98/41/180239841.db2.gz WQDKGVWAOGCJIM-MNOVXSKESA-N 1 0 281.425 2.133 10 0 CEAERO CCC[NH2+][C@H](C)c1csc([C@@H]2CN(C)CCO2)n1 ZINC000091722531 180239949 /nfs/dbraw/zinc/23/99/49/180239949.db2.gz IEQYIZMKJHDOTJ-PWSUYJOCSA-N 1 0 269.414 2.207 10 0 CEAERO CCC[NH2+][C@H]([C@@H]1CN2CCC[C@@H]2CO1)C(C)(C)C ZINC000091722161 180240807 /nfs/dbraw/zinc/24/08/07/180240807.db2.gz WGFXBSIQLGWPNR-HZSPNIEDSA-N 1 0 254.418 2.264 10 0 CEAERO Cc1noc(CC[NH2+]Cc2csc(C(C)(C)C)n2)n1 ZINC000105469007 186058992 /nfs/dbraw/zinc/05/89/92/186058992.db2.gz WALHFVLGMCQAAW-UHFFFAOYSA-N 1 0 280.397 2.464 10 0 CEAERO CCC[NH2+][C@H]1CCCC[C@@H]1c1nc(CN(C)C)no1 ZINC000091747636 180245172 /nfs/dbraw/zinc/24/51/72/180245172.db2.gz XKXUTPJWZRFYIS-RYUDHWBXSA-N 1 0 266.389 2.157 10 0 CEAERO CCN(C(=O)c1cccc(C)c1O)C1CCC([NH3+])CC1 ZINC000091850181 180272518 /nfs/dbraw/zinc/27/25/18/180272518.db2.gz GWCONZUBVUHNGT-UHFFFAOYSA-N 1 0 276.380 2.433 10 0 CEAERO CCCN(C(=O)c1cc(CC)nn1C)C1CCC([NH3+])CC1 ZINC000091852005 180272719 /nfs/dbraw/zinc/27/27/19/180272719.db2.gz RDESUKNVOBZFMJ-UHFFFAOYSA-N 1 0 292.427 2.105 10 0 CEAERO CCCN(C(=O)c1cc(C)nn1CC)C1CCC([NH3+])CC1 ZINC000091851855 180273099 /nfs/dbraw/zinc/27/30/99/180273099.db2.gz SVEHPFPVNHHBNS-UHFFFAOYSA-N 1 0 292.427 2.334 10 0 CEAERO C[N@H+](CCOC(F)(F)F)C1CCC2(CC1)OCCO2 ZINC000091853682 180273392 /nfs/dbraw/zinc/27/33/92/180273392.db2.gz FFLCFMZCSDWGBU-UHFFFAOYSA-N 1 0 283.290 2.140 10 0 CEAERO C[N@H+](CC(=O)Nc1ccc(F)cc1)C1CCC(=O)CC1 ZINC000091853809 180273956 /nfs/dbraw/zinc/27/39/56/180273956.db2.gz VYLDWOCVXYXHNG-UHFFFAOYSA-N 1 0 278.327 2.208 10 0 CEAERO CCC[NH2+][C@H](C)c1cccn1CCOCCOC ZINC000091802619 180259846 /nfs/dbraw/zinc/25/98/46/180259846.db2.gz SGTZRPGGTPGWBN-CYBMUJFWSA-N 1 0 254.374 2.212 10 0 CEAERO CC[C@H]([NH3+])c1ccn(CC(=O)NCCC(C)C)c1 ZINC000091816259 180261130 /nfs/dbraw/zinc/26/11/30/180261130.db2.gz BIGNNEQEGGWLLC-ZDUSSCGKSA-N 1 0 251.374 2.060 10 0 CEAERO CCC[NH2+][C@@H](CC)c1ccn(CCC(=O)N(C)C)c1 ZINC000091817706 180263008 /nfs/dbraw/zinc/26/30/08/180263008.db2.gz FUWKZGPFWWIWFM-AWEZNQCLSA-N 1 0 265.401 2.417 10 0 CEAERO CCC[NH2+][C@H](CC)c1ccn(CC(=O)N(C)C)c1 ZINC000091817540 180263148 /nfs/dbraw/zinc/26/31/48/180263148.db2.gz UJPVUUKBYWNFGX-CYBMUJFWSA-N 1 0 251.374 2.027 10 0 CEAERO CC[C@@H]([NH2+]C)c1ccn(CC(=O)NCCC(C)C)c1 ZINC000091816736 180263233 /nfs/dbraw/zinc/26/32/33/180263233.db2.gz IDUVOSJSPLDDMM-CQSZACIVSA-N 1 0 265.401 2.321 10 0 CEAERO CCC[NH2+][C@@H](CCC)c1ccn(C[C@H](C)C(N)=O)c1 ZINC000091823462 180263759 /nfs/dbraw/zinc/26/37/59/180263759.db2.gz UZSASKPLLGMMEF-JSGCOSHPSA-N 1 0 265.401 2.450 10 0 CEAERO CCC[C@H]([NH3+])c1ccn(CCC(=O)NC(C)C)c1 ZINC000091820649 180263813 /nfs/dbraw/zinc/26/38/13/180263813.db2.gz QRRUXEFUEWEYNE-ZDUSSCGKSA-N 1 0 251.374 2.203 10 0 CEAERO CCC[NH2+][C@H](c1ccn(CCC(=O)NC)c1)C(C)C ZINC000091828260 180265276 /nfs/dbraw/zinc/26/52/76/180265276.db2.gz BIAILQLSLLAVHD-HNNXBMFYSA-N 1 0 265.401 2.321 10 0 CEAERO CCC[NH2+][C@@H](c1ccn(CCS(C)(=O)=O)c1)C(C)C ZINC000091828331 180266050 /nfs/dbraw/zinc/26/60/50/180266050.db2.gz UQPJGOBRLQFEAJ-CQSZACIVSA-N 1 0 286.441 2.229 10 0 CEAERO CN(C(=O)c1cc(Cl)ccc1O)C1CCC([NH3+])CC1 ZINC000091845258 180269983 /nfs/dbraw/zinc/26/99/83/180269983.db2.gz HZJLFBKRSHQOCZ-UHFFFAOYSA-N 1 0 282.771 2.388 10 0 CEAERO CCN(C(=O)Cc1ccc(O)cc1)C1CCC([NH3+])CC1 ZINC000091850207 180271825 /nfs/dbraw/zinc/27/18/25/180271825.db2.gz JHCKLFCWGDKXDP-UHFFFAOYSA-N 1 0 276.380 2.053 10 0 CEAERO CCN(Cc1noc(C(C)(C)C)n1)C1CCC([NH3+])CC1 ZINC000091850765 180272165 /nfs/dbraw/zinc/27/21/65/180272165.db2.gz AWMJCUMWUXLMHH-UHFFFAOYSA-N 1 0 280.416 2.459 10 0 CEAERO COCC[NH2+]Cc1ncoc1-c1cccc(N(C)C)c1 ZINC000091959530 180292615 /nfs/dbraw/zinc/29/26/15/180292615.db2.gz JSOXIASMXHDMLQ-UHFFFAOYSA-N 1 0 275.352 2.144 10 0 CEAERO COCC[NH2+]Cc1ncoc1-c1ccc(F)c(F)c1 ZINC000091959644 180292659 /nfs/dbraw/zinc/29/26/59/180292659.db2.gz PRDDYEREDJQPFP-UHFFFAOYSA-N 1 0 268.263 2.356 10 0 CEAERO C[C@@H](NC(=O)N1CCCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000091971197 180295003 /nfs/dbraw/zinc/29/50/03/180295003.db2.gz XTVDLLAHHWVMNX-OLZOCXBDSA-N 1 0 253.390 2.103 10 0 CEAERO C[NH2+]Cc1nc(N2CCOCC2)sc1-c1ccccc1 ZINC000091960252 180292750 /nfs/dbraw/zinc/29/27/50/180292750.db2.gz NOJFGGWXMSZYSP-UHFFFAOYSA-N 1 0 289.404 2.366 10 0 CEAERO CCN(CC)C(=O)N(C)[C@@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000091961602 180293400 /nfs/dbraw/zinc/29/34/00/180293400.db2.gz POGVTFLLWKYAJQ-OCCSQVGLSA-N 1 0 255.406 2.288 10 0 CEAERO CC(C)[C@@]1(CCCS(C)(=O)=O)CCCCC[NH2+]1 ZINC000091874935 180278654 /nfs/dbraw/zinc/27/86/54/180278654.db2.gz SLJLOQXWFQRRSD-ZDUSSCGKSA-N 1 0 261.431 2.370 10 0 CEAERO CCN(C(=O)N1CCCCC1)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000091969549 180294711 /nfs/dbraw/zinc/29/47/11/180294711.db2.gz SPNLCJPZVVNOEL-ZIAGYGMSSA-N 1 0 267.417 2.432 10 0 CEAERO CCN(C(=O)N1CCCC1)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000091968564 180294728 /nfs/dbraw/zinc/29/47/28/180294728.db2.gz CVJFLZIKMMKJRD-OLZOCXBDSA-N 1 0 253.390 2.042 10 0 CEAERO Cc1ccc(C)c([C@@](C)(O)C2(C[NH3+])CCOCC2)c1 ZINC000091906965 180283843 /nfs/dbraw/zinc/28/38/43/180283843.db2.gz HNJUMSQUPAXGQQ-OAHLLOKOSA-N 1 0 263.381 2.266 10 0 CEAERO COc1ccc2ccccc2c1[C@H](O)[C@@]1(C[NH3+])CCOC1 ZINC000091908634 180284879 /nfs/dbraw/zinc/28/48/79/180284879.db2.gz HJUQTJFUHHXZKN-DLBZAZTESA-N 1 0 287.359 2.247 10 0 CEAERO CC[C@H](C[NH3+])[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000091909996 180284891 /nfs/dbraw/zinc/28/48/91/180284891.db2.gz HBSIUXZTZCMMSM-PELKAZGASA-N 1 0 271.744 2.130 10 0 CEAERO [NH3+]C[C@@]1([C@@H](O)c2ccsc2)COc2ccccc2C1 ZINC000091909760 180284893 /nfs/dbraw/zinc/28/48/93/180284893.db2.gz FBDDDIBJWPLDTP-LSDHHAIUSA-N 1 0 275.373 2.362 10 0 CEAERO COc1cc(OC)c([C@@H](O)C2(C[NH3+])CCCC2)c(OC)c1 ZINC000091909146 180284900 /nfs/dbraw/zinc/28/49/00/180284900.db2.gz AEQWFFMFQWDCEB-OAHLLOKOSA-N 1 0 295.379 2.265 10 0 CEAERO [NH3+]C[C@@]1([C@H](O)c2cc(Cl)cc(Cl)c2)CCOC1 ZINC000091913080 180285217 /nfs/dbraw/zinc/28/52/17/180285217.db2.gz ILTOVXCQOYMTRL-NEPJUHHUSA-N 1 0 276.163 2.392 10 0 CEAERO Cc1cc([C@H](O)C2(C[NH3+])CCOCC2)c(C)s1 ZINC000091913168 180285296 /nfs/dbraw/zinc/28/52/96/180285296.db2.gz TWKQKQQPXUUCDO-LBPRGKRZSA-N 1 0 255.383 2.154 10 0 CEAERO CC[C@@H]1C[C@@](O)(C2(C[NH3+])CCC(C)CC2)CCO1 ZINC000091918638 180286777 /nfs/dbraw/zinc/28/67/77/180286777.db2.gz VMDAIICZIONACC-HXSCFSKGSA-N 1 0 255.402 2.462 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@@H](C)c2ccc(OC)cc2)C1 ZINC000092053063 180312716 /nfs/dbraw/zinc/31/27/16/180312716.db2.gz SSSMZTXFFLNQLU-BBRMVZONSA-N 1 0 278.396 2.067 10 0 CEAERO CCN1CCO[C@@H](COc2cc(C)ccc2[C@@H](C)[NH3+])C1 ZINC000092051360 180312782 /nfs/dbraw/zinc/31/27/82/180312782.db2.gz ZECCQYXKKPVWRR-ZIAGYGMSSA-N 1 0 278.396 2.114 10 0 CEAERO CCC1CCC(NC(=O)N2CCCCC2)(C(N)=[NH2+])CC1 ZINC000091969863 180295240 /nfs/dbraw/zinc/29/52/40/180295240.db2.gz DGQJNMIHNWXOBV-UHFFFAOYSA-N 1 0 280.416 2.457 10 0 CEAERO C[NH2+]CC[C@H]1CCCCN1C(=O)N1CCC(C)CC1 ZINC000091991291 180300097 /nfs/dbraw/zinc/30/00/97/180300097.db2.gz SJXUOHACHCWWAW-CQSZACIVSA-N 1 0 267.417 2.302 10 0 CEAERO CC(C)CN(CCC(N)=[NH2+])C(=O)N1CCC[C@H](C)C1 ZINC000091993260 180300441 /nfs/dbraw/zinc/30/04/41/180300441.db2.gz CTFFEPZTIWMHEL-LBPRGKRZSA-N 1 0 268.405 2.122 10 0 CEAERO CC1CCN(C(=O)NC[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000091993222 180300529 /nfs/dbraw/zinc/30/05/29/180300529.db2.gz LQVQWINPUXLLPY-KBPBESRZSA-N 1 0 267.417 2.193 10 0 CEAERO CC[NH2+]Cc1nc(C)ccc1O[C@H](C)C(=O)NCC(C)C ZINC000091994844 180300821 /nfs/dbraw/zinc/30/08/21/180300821.db2.gz YVKRHGBCAYPBDU-CYBMUJFWSA-N 1 0 293.411 2.039 10 0 CEAERO CCCNC(=O)[C@H](C)Oc1ccc(C)nc1C[NH2+]CCC ZINC000091995029 180301004 /nfs/dbraw/zinc/30/10/04/180301004.db2.gz IZGCQEAJRNEVKI-ZDUSSCGKSA-N 1 0 293.411 2.183 10 0 CEAERO Cc1ncsc1CCOc1ccc(C)nc1C[NH3+] ZINC000091993733 180301039 /nfs/dbraw/zinc/30/10/39/180301039.db2.gz KJDDULFCRNKWIR-UHFFFAOYSA-N 1 0 263.366 2.235 10 0 CEAERO CC[NH2+]Cc1nc(C)ccc1O[C@@H](C)C(=O)NC(C)(C)C ZINC000091994963 180301287 /nfs/dbraw/zinc/30/12/87/180301287.db2.gz RVOUOOGPOUJFQH-LBPRGKRZSA-N 1 0 293.411 2.182 10 0 CEAERO CO[C@H]1CCC[C@H](Oc2ccc(C)nc2C[NH3+])C1 ZINC000091993762 180301333 /nfs/dbraw/zinc/30/13/33/180301333.db2.gz XOXIYNZNDYLHOB-RYUDHWBXSA-N 1 0 250.342 2.185 10 0 CEAERO CCC[NH2+]Cc1nc(C)ccc1O[C@@H](C)C(=O)NC(C)C ZINC000091995260 180301812 /nfs/dbraw/zinc/30/18/12/180301812.db2.gz SXOUWKMANJKOQF-ZDUSSCGKSA-N 1 0 293.411 2.182 10 0 CEAERO CCNC(=O)[C@@H](C)Oc1ccc(C)nc1C[NH2+]C(C)(C)C ZINC000091996058 180302449 /nfs/dbraw/zinc/30/24/49/180302449.db2.gz GTMVWLIOADBIQP-GFCCVEGCSA-N 1 0 293.411 2.182 10 0 CEAERO Cc1nonc1COc1ccc(C)nc1C[NH2+]C(C)C ZINC000091995411 180302536 /nfs/dbraw/zinc/30/25/36/180302536.db2.gz KFLMRKJPDLHZCG-UHFFFAOYSA-N 1 0 276.340 2.158 10 0 CEAERO Cc1ccc(OCCOC(F)(F)F)c(C[C@@H](C)[NH3+])n1 ZINC000091999998 180303543 /nfs/dbraw/zinc/30/35/43/180303543.db2.gz JCXUQCWJFAEQKR-MRVPVSSYSA-N 1 0 278.274 2.195 10 0 CEAERO Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1C=O ZINC000092001902 180303779 /nfs/dbraw/zinc/30/37/79/180303779.db2.gz PZMREQGSABNLLR-ZBFHGGJFSA-N 1 0 258.365 2.480 10 0 CEAERO Cc1ccc(OCc2ccccn2)c(C[C@H](C)[NH3+])n1 ZINC000092000359 180303805 /nfs/dbraw/zinc/30/38/05/180303805.db2.gz JNGULNAXVQTWHG-NSHDSACASA-N 1 0 257.337 2.254 10 0 CEAERO Cc1nc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)sc1[C@@H](C)O ZINC000092004777 180305713 /nfs/dbraw/zinc/30/57/13/180305713.db2.gz NJKVCZCAXTZFIJ-UTUOFQBUSA-N 1 0 281.425 2.178 10 0 CEAERO CNc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000092023908 180308770 /nfs/dbraw/zinc/30/87/70/180308770.db2.gz MFIOHFRWPFLGEM-CABCVRRESA-N 1 0 273.380 2.037 10 0 CEAERO CCC[NH2+][C@@H](C=C(C)C)C(C)(C)N1CCOCC1 ZINC000092127990 180328822 /nfs/dbraw/zinc/32/88/22/180328822.db2.gz VTWZPJZGVZAYLG-AWEZNQCLSA-N 1 0 254.418 2.432 10 0 CEAERO CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)C[NH2+]C ZINC000092132631 180330021 /nfs/dbraw/zinc/33/00/21/180330021.db2.gz BMUWEOFMAKRNAI-NWDGAFQWSA-N 1 0 291.395 2.009 10 0 CEAERO C[C@@H]1C[NH+](CCc2nc3cc(N)ccc3[nH]2)C[C@H]1C ZINC000092080486 180318144 /nfs/dbraw/zinc/31/81/44/180318144.db2.gz NHDNCVWVBFRGDJ-GHMZBOCLSA-N 1 0 258.369 2.275 10 0 CEAERO C[C@H]1CN([C@@H](C[NH3+])c2ccc3c(c2)OCCO3)C[C@H]1C ZINC000092082622 180319404 /nfs/dbraw/zinc/31/94/04/180319404.db2.gz SBGQCUGCXACUNP-SCRDCRAPSA-N 1 0 276.380 2.045 10 0 CEAERO Cc1nn(C)c(N2C[C@H](C)[C@@H](C)C2)c1C[NH2+]C1CC1 ZINC000092086720 180320097 /nfs/dbraw/zinc/32/00/97/180320097.db2.gz CLVYUHLTWSZSES-QWRGUYRKSA-N 1 0 262.401 2.073 10 0 CEAERO C[C@@H]1C[NH+](CCOc2cccc(C(N)=S)c2)C[C@H]1C ZINC000092085444 180320200 /nfs/dbraw/zinc/32/02/00/180320200.db2.gz GXUVIQHFTVRWIS-VXGBXAGGSA-N 1 0 278.421 2.287 10 0 CEAERO CCOC(=O)[C@@](C[N@@H+]1C[C@H](C)[C@H](C)C1)(NC1CC1)C1CC1 ZINC000092087471 180321550 /nfs/dbraw/zinc/32/15/50/180321550.db2.gz VECRYKFSUXRYRN-AHIWAGSCSA-N 1 0 294.439 2.038 10 0 CEAERO CCCN[C@](C[N@@H+]1C[C@H](C)[C@H](C)C1)(C(=O)OCC)C1CC1 ZINC000092087406 180321761 /nfs/dbraw/zinc/32/17/61/180321761.db2.gz QILSAZKPFZCBLG-VBQJREDUSA-N 1 0 296.455 2.286 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)Nc2cccc3c2CCCC3)C1 ZINC000092201239 180342713 /nfs/dbraw/zinc/34/27/13/180342713.db2.gz YJKNDHQFHANGAL-QWHCGFSZSA-N 1 0 256.349 2.407 10 0 CEAERO Cc1cc(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)c2ccccc2n1 ZINC000092201259 180342717 /nfs/dbraw/zinc/34/27/17/180342717.db2.gz KWQKAARRAGCBHV-NEPJUHHUSA-N 1 0 267.332 2.385 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)Nc2cc(Cl)ccc2F)C1 ZINC000092201928 180343071 /nfs/dbraw/zinc/34/30/71/180343071.db2.gz ZWDOYGJJYADVBT-CBAPKCEASA-N 1 0 254.692 2.321 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)Nc2ccccc2N2CCCC2)C1 ZINC000092202717 180343555 /nfs/dbraw/zinc/34/35/55/180343555.db2.gz KPBQJVFASQVHDT-STQMWFEESA-N 1 0 271.364 2.129 10 0 CEAERO CCOc1cc(C)ccc1NC(=O)[C@@H]1C=C[C@H]([NH3+])C1 ZINC000092204194 180343836 /nfs/dbraw/zinc/34/38/36/180343836.db2.gz FRJVADFQPCTYGQ-NEPJUHHUSA-N 1 0 260.337 2.236 10 0 CEAERO CC[NH2+]Cc1nccn1C[C@@H]1COc2ccccc21 ZINC000092304783 180360205 /nfs/dbraw/zinc/36/02/05/180360205.db2.gz UENVJHFHVTUVHD-GFCCVEGCSA-N 1 0 257.337 2.169 10 0 CEAERO C[NH2+]CCc1nnc([C@H]2Cc3ccccc3S2)o1 ZINC000092234371 180349103 /nfs/dbraw/zinc/34/91/03/180349103.db2.gz BYBOQUCKVQRKDU-LLVKDONJSA-N 1 0 261.350 2.221 10 0 CEAERO Cn1nccc1C[NH2+]C[C@H]1Cc2ccccc2S1 ZINC000092244281 180352108 /nfs/dbraw/zinc/35/21/08/180352108.db2.gz ADJJEXNMYAXWRE-CYBMUJFWSA-N 1 0 259.378 2.227 10 0 CEAERO NC(=S)[C@H]1CCC[N@@H+]1C[C@@H]1Cc2ccccc2S1 ZINC000092261149 180354374 /nfs/dbraw/zinc/35/43/74/180354374.db2.gz OKKJCNQYNOKOQV-NWDGAFQWSA-N 1 0 278.446 2.454 10 0 CEAERO CC(C)N(CC[NH3+])C[C@@H]1Cc2ccccc2S1 ZINC000092262957 180355121 /nfs/dbraw/zinc/35/51/21/180355121.db2.gz CUIUTMXWVRNSFO-ZDUSSCGKSA-N 1 0 250.411 2.373 10 0 CEAERO C[NH2+]Cc1cnn(C[C@@H]2Cc3ccccc3S2)c1 ZINC000092271202 180355733 /nfs/dbraw/zinc/35/57/33/180355733.db2.gz ACSYUYBBMQFLHP-ZDUSSCGKSA-N 1 0 259.378 2.320 10 0 CEAERO C[C@H]1CN(C[C@@H]2Cc3ccccc3S2)CCC[NH2+]1 ZINC000092273073 180356364 /nfs/dbraw/zinc/35/63/64/180356364.db2.gz MJNMQTLIMPFZTE-JSGCOSHPSA-N 1 0 262.422 2.387 10 0 CEAERO C[C@@H](Cn1ccnc1)[NH2+]C[C@@H]1COc2ccccc21 ZINC000092300145 180358853 /nfs/dbraw/zinc/35/88/53/180358853.db2.gz MTADMULGFDIFLX-QWHCGFSZSA-N 1 0 257.337 2.037 10 0 CEAERO c1ccc2c(c1)OC[C@@H]2C[NH2+]CCc1cccnc1 ZINC000092299719 180358978 /nfs/dbraw/zinc/35/89/78/180358978.db2.gz SYDUPIPPVNGDBD-AWEZNQCLSA-N 1 0 254.333 2.390 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](c2nc(-c3ccc(F)c(F)c3)no2)C1 ZINC000092181477 180338230 /nfs/dbraw/zinc/33/82/30/180338230.db2.gz RBQZIBRZVZAJCB-DTWKUNHWSA-N 1 0 263.247 2.386 10 0 CEAERO CC[NH2+][C@@H](CN1C(=O)C[C@H](C)C1=O)c1ccc(C)cc1 ZINC000105832531 186075214 /nfs/dbraw/zinc/07/52/14/186075214.db2.gz SKFKZRYCPHVHRB-JSGCOSHPSA-N 1 0 274.364 2.041 10 0 CEAERO Cc1nn(-c2ccc(C)nn2)c(C)c1[C@H](C)C[NH2+]C1CC1 ZINC000092322874 180362522 /nfs/dbraw/zinc/36/25/22/180362522.db2.gz YMEUCXUYSPJDLZ-SNVBAGLBSA-N 1 0 285.395 2.443 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NCc2c(C)nn(C)c2C)CC1 ZINC000092326247 180362764 /nfs/dbraw/zinc/36/27/64/180362764.db2.gz PDMAKUCETIJENB-CQSZACIVSA-N 1 0 264.417 2.001 10 0 CEAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000106423959 186116659 /nfs/dbraw/zinc/11/66/59/186116659.db2.gz NEUHKBUQDUQJNH-QGZVFWFLSA-N 1 0 282.387 2.476 10 0 CEAERO CC[C@]1(C(=O)N[C@H](C)c2c(C)noc2C)CCC[NH2+]C1 ZINC000092329485 180363935 /nfs/dbraw/zinc/36/39/35/180363935.db2.gz WTGFUULDKVDRPH-BMIGLBTASA-N 1 0 279.384 2.248 10 0 CEAERO COc1cccc([C@H](C[NH3+])NCc2ccccc2)c1OC ZINC000106024073 186098173 /nfs/dbraw/zinc/09/81/73/186098173.db2.gz VMANLXLORUQJEO-HNNXBMFYSA-N 1 0 286.375 2.493 10 0 CEAERO Cc1nn(C)c(C)c1C[NH2+]C[C@@H]1Cc2cc(C)ccc2O1 ZINC000092331327 180364252 /nfs/dbraw/zinc/36/42/52/180364252.db2.gz PWAGWYCVPWHQJC-HNNXBMFYSA-N 1 0 285.391 2.439 10 0 CEAERO Cc1nn(C)c(C)c1CNCC[C@@H]1CCCC[N@@H+]1C ZINC000092330927 180364469 /nfs/dbraw/zinc/36/44/69/180364469.db2.gz LUTRBXXWBABSCF-AWEZNQCLSA-N 1 0 264.417 2.001 10 0 CEAERO CC(C)(C)[NH2+]CC(=O)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000106110228 186103268 /nfs/dbraw/zinc/10/32/68/186103268.db2.gz PXFCYNWJCYINQR-STQMWFEESA-N 1 0 252.402 2.413 10 0 CEAERO C[C@@H](C[NH3+])[C@H](O)c1cc(Cl)c2c(c1)OCCCO2 ZINC000106205504 186104067 /nfs/dbraw/zinc/10/40/67/186104067.db2.gz XNXZYXNTJRMQIZ-UFBFGSQYSA-N 1 0 271.744 2.130 10 0 CEAERO CCOC(=O)N[C@H](C[NH3+])c1cc(C)nc2ccccc21 ZINC000092344472 180366215 /nfs/dbraw/zinc/36/62/15/180366215.db2.gz VPDNMENVVRXSLQ-CQSZACIVSA-N 1 0 273.336 2.289 10 0 CEAERO CCC[C@H]1CN(Cc2c(C)noc2C)CCC[NH2+]1 ZINC000092342802 180366302 /nfs/dbraw/zinc/36/63/02/180366302.db2.gz TVHSEIWYMXKYIS-ZDUSSCGKSA-N 1 0 251.374 2.255 10 0 CEAERO Cc1cc(NC(=O)Cc2ccc(C[NH3+])cc2)ccn1 ZINC000092348640 180367593 /nfs/dbraw/zinc/36/75/93/180367593.db2.gz AYBUXHCYIOOSNI-UHFFFAOYSA-N 1 0 255.321 2.030 10 0 CEAERO CCc1nccn1[C@H]1CCC[N@H+](C[C@@H]2CCCO2)C1 ZINC000105897226 186086084 /nfs/dbraw/zinc/08/60/84/186086084.db2.gz CDVKOHLHYKTFPZ-KBPBESRZSA-N 1 0 263.385 2.261 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@@H](SC[C@@H](C)CO)CC2 ZINC000092390190 180375709 /nfs/dbraw/zinc/37/57/09/180375709.db2.gz YHPXBUQBSNCLAH-LKTVYLICSA-N 1 0 281.421 2.371 10 0 CEAERO Cc1cn2c(C[NH2+][C@H](CO)C(C)C)c(C)nc2s1 ZINC000092393213 180375839 /nfs/dbraw/zinc/37/58/39/180375839.db2.gz VMJZVJJGNWAWHF-LLVKDONJSA-N 1 0 267.398 2.119 10 0 CEAERO CC(C)[C@@H](CO)[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000092400277 180377159 /nfs/dbraw/zinc/37/71/59/180377159.db2.gz VWSCHXNMIZXHKM-SJORKVTESA-N 1 0 273.376 2.480 10 0 CEAERO CC(C)[C@H](CO)[NH2+]C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000092400474 180377511 /nfs/dbraw/zinc/37/75/11/180377511.db2.gz GTMHJUDCORTRBU-STQMWFEESA-N 1 0 269.772 2.250 10 0 CEAERO CCCCCNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106453563 186118430 /nfs/dbraw/zinc/11/84/30/186118430.db2.gz BDKRMLIBIRMFBM-HNNXBMFYSA-N 1 0 262.397 2.466 10 0 CEAERO COc1ccc([C@H]2C[NH2+][C@@H](C(C)C)CO2)c(OC)c1 ZINC000092403149 180378358 /nfs/dbraw/zinc/37/83/58/180378358.db2.gz PNUWTSCFOMESGT-UKRRQHHQSA-N 1 0 265.353 2.389 10 0 CEAERO COc1ccc(-c2[nH+]c(C)n(C)c2N)c(OC)c1OC ZINC000106830859 186137901 /nfs/dbraw/zinc/13/79/01/186137901.db2.gz COSCIETXIILUSM-UHFFFAOYSA-N 1 0 277.324 2.004 10 0 CEAERO CCOCC[N@H+](CC)[C@H]1CCc2ccc(OC)cc2[C@@H]1N ZINC000092385867 180373714 /nfs/dbraw/zinc/37/37/14/180373714.db2.gz UNUVVOGETLYDCQ-IRXDYDNUSA-N 1 0 292.423 2.368 10 0 CEAERO CCCN1C(=O)C[C@@H]([NH2+][C@H](CC)c2ccccc2)C1=O ZINC000106923592 186150520 /nfs/dbraw/zinc/15/05/20/186150520.db2.gz PKNNLTUFMFRLJI-ZIAGYGMSSA-N 1 0 274.364 2.265 10 0 CEAERO Cc1cccc(C[N@H+](CC(N)=S)C2CCCC2)n1 ZINC000092429265 180384386 /nfs/dbraw/zinc/38/43/86/180384386.db2.gz QFMPXTMHEUAFLM-UHFFFAOYSA-N 1 0 263.410 2.421 10 0 CEAERO CCC[N@@H+]1CCC[C@H]([NH+](CC(=O)[O-])C(C)(C)C)CC1 ZINC000092450878 180387586 /nfs/dbraw/zinc/38/75/86/180387586.db2.gz POMCEVDWOPSWNC-ZDUSSCGKSA-N 1 0 270.417 2.436 10 0 CEAERO Cc1ccc2nc(C[N@H+]3[C@@H]4CC[C@H]3CC(O)C4)cn2c1 ZINC000107923884 186198002 /nfs/dbraw/zinc/19/80/02/186198002.db2.gz ZDSZGKBROIFICT-YIONKMFJSA-N 1 0 271.364 2.130 10 0 CEAERO Cc1cccc(O)c1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000625606846 350535321 /nfs/dbraw/zinc/53/53/21/350535321.db2.gz RMMCCIWCEBHTRH-STQMWFEESA-N 1 0 274.364 2.009 10 0 CEAERO CC(C)[NH+](CCn1c(N)nc2cccnc21)C(C)C ZINC000092532390 180401302 /nfs/dbraw/zinc/40/13/02/180401302.db2.gz VRSRTCMSRBRKSK-UHFFFAOYSA-N 1 0 261.373 2.132 10 0 CEAERO CCc1ccc([C@H](C)[NH2+]CC(C)(C)NS(C)(=O)=O)cc1 ZINC000109041628 186241032 /nfs/dbraw/zinc/24/10/32/186241032.db2.gz GGAICOCGFGZPLL-LBPRGKRZSA-N 1 0 298.452 2.227 10 0 CEAERO C[NH2+][C@H]1CCCC[C@@H]1c1nc(-c2cccnc2)no1 ZINC000109495368 186256766 /nfs/dbraw/zinc/25/67/66/186256766.db2.gz SAXWBPKGICQFDK-RYUDHWBXSA-N 1 0 258.325 2.377 10 0 CEAERO C[NH2+][C@H](Cc1nc(-c2cccc(OC)c2)no1)C1CC1 ZINC000109504153 186257157 /nfs/dbraw/zinc/25/71/57/186257157.db2.gz FOXCLYRGGQRBLJ-CYBMUJFWSA-N 1 0 273.336 2.286 10 0 CEAERO C[NH2+][C@@H](C)CCc1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000109505699 186257379 /nfs/dbraw/zinc/25/73/79/186257379.db2.gz VUAPXGSHXAJLQD-JTQLQIEISA-N 1 0 291.351 2.294 10 0 CEAERO C[NH2+]C1CCC(c2nc(Cc3ccccn3)no2)CC1 ZINC000109499777 186257464 /nfs/dbraw/zinc/25/74/64/186257464.db2.gz JBHWXKDFEJHTBH-UHFFFAOYSA-N 1 0 272.352 2.301 10 0 CEAERO COc1ccccc1-c1noc(C[C@H]([NH3+])C(C)C)n1 ZINC000109503636 186257671 /nfs/dbraw/zinc/25/76/71/186257671.db2.gz SHAIFDNNZRDTNK-NSHDSACASA-N 1 0 261.325 2.271 10 0 CEAERO Cc1nc(Cc2noc([C@H]3CCCC[C@H]3[NH3+])n2)cs1 ZINC000109511386 186257938 /nfs/dbraw/zinc/25/79/38/186257938.db2.gz PNOJSNIRSAOIEW-WDEREUQCSA-N 1 0 278.381 2.410 10 0 CEAERO Cc1csc(Cc2noc(C[C@@H]([NH3+])C(C)(C)C)n2)n1 ZINC000109510934 186257981 /nfs/dbraw/zinc/25/79/81/186257981.db2.gz SLMXMYXAAXLHKA-SECBINFHSA-N 1 0 280.397 2.341 10 0 CEAERO CCC[NH2+][C@H](Cc1nc(CSC)no1)C(C)C ZINC000109508870 186258111 /nfs/dbraw/zinc/25/81/11/186258111.db2.gz QFWFQQJFQMIONS-SNVBAGLBSA-N 1 0 257.403 2.499 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1c1nc(CCc2ccccc2)no1 ZINC000109515482 186258247 /nfs/dbraw/zinc/25/82/47/186258247.db2.gz KFBMAVJYPHSBOV-STQMWFEESA-N 1 0 257.337 2.450 10 0 CEAERO CCCOCc1noc([C@H]2CCCC[C@@H]2[NH2+]C)n1 ZINC000109519784 186258854 /nfs/dbraw/zinc/25/88/54/186258854.db2.gz MPBPTNXKTAJORC-QWRGUYRKSA-N 1 0 253.346 2.242 10 0 CEAERO CCNC(=O)c1ccc(N)c(N[C@@H](C[NH+](C)C)C(C)C)c1 ZINC000109537064 186261005 /nfs/dbraw/zinc/26/10/05/186261005.db2.gz MEFRTNWAEWIRRM-HNNXBMFYSA-N 1 0 292.427 2.017 10 0 CEAERO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)c(OC)c1 ZINC000109555151 186263180 /nfs/dbraw/zinc/26/31/80/186263180.db2.gz RDUFZEGAUAZNIK-BETUJISGSA-N 1 0 275.348 2.400 10 0 CEAERO C[NH2+][C@@H]1c2ccc(OCc3ccccc3)cc2NC1=O ZINC000109573526 186263717 /nfs/dbraw/zinc/26/37/17/186263717.db2.gz BMPSSODZWAFEBO-OAHLLOKOSA-N 1 0 268.316 2.478 10 0 CEAERO C[C@@H]1CN(c2cc(C[NH3+])nc3ccccc32)CCCO1 ZINC000109589525 186264737 /nfs/dbraw/zinc/26/47/37/186264737.db2.gz HISOEAXKEAKNOE-GFCCVEGCSA-N 1 0 271.364 2.309 10 0 CEAERO C[NH+](C)C[C@@H]1CCCN1C(=S)NC1CCCCC1 ZINC000109671234 186268299 /nfs/dbraw/zinc/26/82/99/186268299.db2.gz NKRGDDSWXKPRTP-ZDUSSCGKSA-N 1 0 269.458 2.220 10 0 CEAERO Cn1cnnc1CC[NH2+][C@H]1CCCCc2ccccc21 ZINC000109421162 186251858 /nfs/dbraw/zinc/25/18/58/186251858.db2.gz XYGHMGVWGSUDHC-HNNXBMFYSA-N 1 0 270.380 2.415 10 0 CEAERO CC(C)Oc1ccc([C@@H](C)[NH2+]CCc2nncn2C)cc1 ZINC000109421101 186252054 /nfs/dbraw/zinc/25/20/54/186252054.db2.gz KXTMOSSSENPVBJ-CYBMUJFWSA-N 1 0 288.395 2.496 10 0 CEAERO Cc1ccccc1-c1nc([C@H](C)N2CC[NH2+]CC2)no1 ZINC000109473973 186254668 /nfs/dbraw/zinc/25/46/68/186254668.db2.gz DKCPDMAAEWWQKX-LBPRGKRZSA-N 1 0 272.352 2.011 10 0 CEAERO CC(C)(c1nc(-c2ccccn2)cs1)N1CC[NH2+]CC1 ZINC000109472901 186254685 /nfs/dbraw/zinc/25/46/85/186254685.db2.gz TVHNLVISWQDBAR-UHFFFAOYSA-N 1 0 288.420 2.345 10 0 CEAERO Cc1ccc(-c2nc([C@@H](C)N3CC[NH2+]CC3)no2)cc1C ZINC000109473786 186254760 /nfs/dbraw/zinc/25/47/60/186254760.db2.gz SBGQXPGKUMIOHV-CYBMUJFWSA-N 1 0 286.379 2.320 10 0 CEAERO CC(C)(c1nc2c(s1)CSCC2)N1CC[NH2+]CC1 ZINC000109473038 186254790 /nfs/dbraw/zinc/25/47/90/186254790.db2.gz YJMXVDHRYDKWQE-UHFFFAOYSA-N 1 0 283.466 2.073 10 0 CEAERO CCC[C@H](c1nccc(C(F)(F)F)n1)N1CC[NH2+]CC1 ZINC000109475970 186254805 /nfs/dbraw/zinc/25/48/05/186254805.db2.gz QKAHTJILARSKML-SNVBAGLBSA-N 1 0 288.317 2.242 10 0 CEAERO CC[C@@H](c1noc(C(C)(C)CC)n1)N1CC[NH2+]CC1 ZINC000109474395 186254884 /nfs/dbraw/zinc/25/48/84/186254884.db2.gz RUGJKAAVGUMRDG-NSHDSACASA-N 1 0 266.389 2.114 10 0 CEAERO C[C@H](c1noc(C2CCCCCC2)n1)N1CC[NH2+]CC1 ZINC000109473570 186255138 /nfs/dbraw/zinc/25/51/38/186255138.db2.gz FNAWFEFSHGCBFE-GFCCVEGCSA-N 1 0 278.400 2.474 10 0 CEAERO Cc1nnc(SCC[NH2+][C@@H]2CCC[C@@H](C)C2)n1C ZINC000110250260 186288464 /nfs/dbraw/zinc/28/84/64/186288464.db2.gz TXRMYEOSRVUAHP-ZYHUDNBSSA-N 1 0 268.430 2.384 10 0 CEAERO COc1cccc([C@@H](Sc2nnc(C)n2C)[C@@H](C)[NH3+])c1 ZINC000110353381 186293582 /nfs/dbraw/zinc/29/35/82/186293582.db2.gz KRVMTDOFLUIHFH-RNCFNFMXSA-N 1 0 292.408 2.313 10 0 CEAERO [NH3+]Cc1ccc(CNC(=O)c2ccccc2)c(F)c1 ZINC000110461633 186297189 /nfs/dbraw/zinc/29/71/89/186297189.db2.gz JWDWAWDGLVUUFA-UHFFFAOYSA-N 1 0 258.296 2.214 10 0 CEAERO CCc1nc(CC[NH+](CC)CC)nc(NC)c1C ZINC000110467010 186297730 /nfs/dbraw/zinc/29/77/30/186297730.db2.gz DMZZHBCOHOJPLO-UHFFFAOYSA-N 1 0 250.390 2.273 10 0 CEAERO COc1ccc([C@@H]([NH3+])c2cccc(C)n2)cc1OC ZINC000110474547 186297873 /nfs/dbraw/zinc/29/78/73/186297873.db2.gz YEWXEOQZIJYTMN-OAHLLOKOSA-N 1 0 258.321 2.455 10 0 CEAERO CC[C@H]([NH2+]C)[C@H](C)c1nc(CC(F)(F)F)no1 ZINC000110470546 186298257 /nfs/dbraw/zinc/29/82/57/186298257.db2.gz SFEZYRCXBAGIKC-BQBZGAKWSA-N 1 0 251.252 2.276 10 0 CEAERO CC[C@@H]([NH2+]C)[C@@H](C)c1nc(CC(F)(F)F)no1 ZINC000110470544 186298531 /nfs/dbraw/zinc/29/85/31/186298531.db2.gz SFEZYRCXBAGIKC-RNFRBKRXSA-N 1 0 251.252 2.276 10 0 CEAERO CCc1nc(-c2ccc(N(C)C)cc2)[nH+]c(NN)c1C ZINC000110477665 186298801 /nfs/dbraw/zinc/29/88/01/186298801.db2.gz QKXRXQPRCYYRDB-UHFFFAOYSA-N 1 0 271.368 2.366 10 0 CEAERO CCc1nc(-c2cc(OC)cc(OC)c2)[nH+]c(NN)c1C ZINC000110477667 186298891 /nfs/dbraw/zinc/29/88/91/186298891.db2.gz HRPFFNHFHCSLAN-UHFFFAOYSA-N 1 0 288.351 2.317 10 0 CEAERO CCc1nc(Cc2cccc(OC)c2)[nH+]c(NN)c1C ZINC000110477498 186299195 /nfs/dbraw/zinc/29/91/95/186299195.db2.gz XYBWCFKGKCTCBR-UHFFFAOYSA-N 1 0 272.352 2.232 10 0 CEAERO COc1cc([C@H]([NH3+])[C@@H]2CCOC2)cc(Cl)c1OC ZINC000110533684 186301722 /nfs/dbraw/zinc/30/17/22/186301722.db2.gz PVTAYKMJKNTEPB-PRHODGIISA-N 1 0 271.744 2.394 10 0 CEAERO C[NH2+]Cc1c2ccccc2oc1CO[C@H]1CCOC1 ZINC000110532946 186301893 /nfs/dbraw/zinc/30/18/93/186301893.db2.gz MTVZVSLYUORUKU-NSHDSACASA-N 1 0 261.321 2.458 10 0 CEAERO [NH3+]Cc1ccc(CC(=O)N2CCc3ccccc32)cc1 ZINC000110611710 186305298 /nfs/dbraw/zinc/30/52/98/186305298.db2.gz RLKZUPFRIDEMPW-UHFFFAOYSA-N 1 0 266.344 2.277 10 0 CEAERO CC[C@H]1CO[C@@H](C)CN1C(=O)CC1CCC(C[NH3+])CC1 ZINC000110617449 186305493 /nfs/dbraw/zinc/30/54/93/186305493.db2.gz KKUZMRYNNAZPEO-PPWQZUPISA-N 1 0 282.428 2.168 10 0 CEAERO CC[NH+](CC)CCNc1cc(OC)c(F)cc1N ZINC000110625375 186306789 /nfs/dbraw/zinc/30/67/89/186306789.db2.gz ZLPVHCWVDDCXNX-UHFFFAOYSA-N 1 0 255.337 2.170 10 0 CEAERO CC[N@H+](C)CCNc1cc(OC(F)F)c(F)cc1N ZINC000110641088 186307467 /nfs/dbraw/zinc/30/74/67/186307467.db2.gz HVXYKBSLSAWFCZ-UHFFFAOYSA-N 1 0 277.290 2.373 10 0 CEAERO NC(=O)c1ccc(NCC[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000110793517 186325272 /nfs/dbraw/zinc/32/52/72/186325272.db2.gz NCADQOOMTRMFMF-SNVBAGLBSA-N 1 0 281.787 2.241 10 0 CEAERO C[C@@H]1CCCN(S(=O)(=O)Cc2ccc(C[NH3+])cc2)CC1 ZINC000110809017 186326051 /nfs/dbraw/zinc/32/60/51/186326051.db2.gz RVWJVBJLTCNSMF-CYBMUJFWSA-N 1 0 296.436 2.097 10 0 CEAERO C[C@H]1CCCN(c2nc3c(cc2C(N)=[NH2+])CCC3)CC1 ZINC000110805214 186326621 /nfs/dbraw/zinc/32/66/21/186326621.db2.gz YWUBTRPQWVLEEK-NSHDSACASA-N 1 0 272.396 2.481 10 0 CEAERO Cc1ccccc1[C@H](SCCS(C)(=O)=O)[C@H](C)[NH3+] ZINC000111004188 186341216 /nfs/dbraw/zinc/34/12/16/186341216.db2.gz RADCNPBDYZNHKW-WCQYABFASA-N 1 0 287.450 2.161 10 0 CEAERO CCCN[C@H](CC[N@H+](C)CC1CCCC1)C(=O)OCC ZINC000110841157 186328458 /nfs/dbraw/zinc/32/84/58/186328458.db2.gz NBXLMHOJLHEDEL-OAHLLOKOSA-N 1 0 284.444 2.430 10 0 CEAERO COc1ccc([C@H](CO)[NH2+]C2CC2)c(Cl)c1OC ZINC000110831657 186328587 /nfs/dbraw/zinc/32/85/87/186328587.db2.gz CUFKDMYXWVWKNU-JTQLQIEISA-N 1 0 271.744 2.143 10 0 CEAERO CCC[NH2+][C@](C)(CC[N@H+](C)CC1CCCC1)C(=O)[O-] ZINC000110840948 186328879 /nfs/dbraw/zinc/32/88/79/186328879.db2.gz VLLPYXZYZCHIPP-OAHLLOKOSA-N 1 0 270.417 2.341 10 0 CEAERO C[C@@H]1CCC[C@@H](C(=O)N(C)CC2CCCC2)[C@@H]1[NH3+] ZINC000110848175 186330141 /nfs/dbraw/zinc/33/01/41/186330141.db2.gz XUOBEKSKMYJUHD-MRVWCRGKSA-N 1 0 252.402 2.399 10 0 CEAERO CC(C)N(C(=O)CN(C)[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000110929468 186333311 /nfs/dbraw/zinc/33/33/11/186333311.db2.gz JTLQBQJOGWXQEH-INIZCTEOSA-N 1 0 295.471 2.240 10 0 CEAERO CCCS(=O)(=O)c1ccccc1N(C)[C@@H]1CCC[NH2+]C1 ZINC000110933131 186334004 /nfs/dbraw/zinc/33/40/04/186334004.db2.gz INOPHBDLPKDNPU-CYBMUJFWSA-N 1 0 296.436 2.059 10 0 CEAERO C[NH+](C)CC(C)(C)CNCc1n[nH]nc1-c1ccccc1 ZINC000110924115 186334026 /nfs/dbraw/zinc/33/40/26/186334026.db2.gz IECFGQWDKCWQAS-UHFFFAOYSA-N 1 0 287.411 2.149 10 0 CEAERO CCN(c1nncc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000110947487 186335306 /nfs/dbraw/zinc/33/53/06/186335306.db2.gz XNTOXVXMDASSLW-CYBMUJFWSA-N 1 0 256.353 2.208 10 0 CEAERO CCCN(c1ccc(C(N)=O)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000110948389 186335333 /nfs/dbraw/zinc/33/53/33/186335333.db2.gz DONDFIKLBWPVDG-GFCCVEGCSA-N 1 0 295.814 2.407 10 0 CEAERO CCN(CCOc1ccccc1C(C)=O)[C@H]1CCC[NH2+]C1 ZINC000110943719 186335358 /nfs/dbraw/zinc/33/53/58/186335358.db2.gz PURAMZDFEMVBOR-HNNXBMFYSA-N 1 0 290.407 2.342 10 0 CEAERO CCc1ccc(NC(=O)CN(CC)[C@@H]2CCC[NH2+]C2)cc1 ZINC000110945036 186335463 /nfs/dbraw/zinc/33/54/63/186335463.db2.gz MLOFHIQNGVVSHF-MRXNPFEDSA-N 1 0 289.423 2.261 10 0 CEAERO CCCN(c1cccc(Cl)c1C(N)=O)[C@H]1CCC[NH2+]C1 ZINC000110948365 186335658 /nfs/dbraw/zinc/33/56/58/186335658.db2.gz GUBAKRFTKQWHKG-NSHDSACASA-N 1 0 295.814 2.407 10 0 CEAERO CCCCN(CCCC)C(=O)CN(CC)[C@H]1CCC[NH2+]C1 ZINC000110943924 186335761 /nfs/dbraw/zinc/33/57/61/186335761.db2.gz PHECAGPIZGNRSL-INIZCTEOSA-N 1 0 297.487 2.489 10 0 CEAERO CCN(Cc1nc(-c2cccs2)no1)[C@@H]1CCC[NH2+]C1 ZINC000110943588 186335852 /nfs/dbraw/zinc/33/58/52/186335852.db2.gz IHILZGYOLRZRFF-LLVKDONJSA-N 1 0 292.408 2.372 10 0 CEAERO CC[C@H](C)NC(=O)COc1cc(C)ccc1[C@@H](C)[NH3+] ZINC000110957798 186337086 /nfs/dbraw/zinc/33/70/86/186337086.db2.gz AJZIXJKHIJSGHS-NWDGAFQWSA-N 1 0 264.369 2.308 10 0 CEAERO Cc1ccc([C@@H](C[NH3+])N(C)C2CCOCC2)cc1F ZINC000110977168 186338704 /nfs/dbraw/zinc/33/87/04/186338704.db2.gz OVPVEJGHMKUJNZ-OAHLLOKOSA-N 1 0 266.360 2.245 10 0 CEAERO COC[C@H](C)[NH2+]CCOc1ccc(SC)cc1 ZINC000110986056 186338877 /nfs/dbraw/zinc/33/88/77/186338877.db2.gz CNTRCJQOHBGZPF-NSHDSACASA-N 1 0 255.383 2.412 10 0 CEAERO COCCCN(CCOC)[C@H](C[NH3+])c1ccc(C)c(F)c1 ZINC000110977541 186339026 /nfs/dbraw/zinc/33/90/26/186339026.db2.gz NGRPNKRCDZTRHT-MRXNPFEDSA-N 1 0 298.402 2.119 10 0 CEAERO CCOc1ccc(N)cc1CN1CC[N@H+](C)C(C)(C)C1 ZINC000110704492 186314864 /nfs/dbraw/zinc/31/48/64/186314864.db2.gz AHFJHBBWTRQMQQ-UHFFFAOYSA-N 1 0 277.412 2.194 10 0 CEAERO CC[C@@H]1CN(Cc2ccc(Cl)nc2)CC[N@@H+]1C ZINC000110717564 186315924 /nfs/dbraw/zinc/31/59/24/186315924.db2.gz FYHDNIJDACOFNL-GFCCVEGCSA-N 1 0 253.777 2.261 10 0 CEAERO CC[C@@H]1CN(CC(=O)c2ccc3c(c2)CCC3)CC[N@@H+]1C ZINC000110729085 186317575 /nfs/dbraw/zinc/31/75/75/186317575.db2.gz ICPHYRXHKORQNK-QGZVFWFLSA-N 1 0 286.419 2.384 10 0 CEAERO Cc1cc(C)cc(NC(=O)c2ccnc(C[NH3+])c2)c1 ZINC000129937102 187461812 /nfs/dbraw/zinc/46/18/12/187461812.db2.gz OOOUJGPFVYDAEE-UHFFFAOYSA-N 1 0 255.321 2.409 10 0 CEAERO CC[N@@H+]1CCN(C(=O)c2cccc3c2NCCC3)C[C@@H]1C ZINC000110759840 186321551 /nfs/dbraw/zinc/32/15/51/186321551.db2.gz NAFCQTOGSIQEMQ-ZDUSSCGKSA-N 1 0 287.407 2.211 10 0 CEAERO CC[N@@H+]1CCN(C(=O)c2cccc3c2NCCC3)C[C@H]1C ZINC000110759846 186323769 /nfs/dbraw/zinc/32/37/69/186323769.db2.gz NAFCQTOGSIQEMQ-CYBMUJFWSA-N 1 0 287.407 2.211 10 0 CEAERO CCOC(=O)c1cc(C)sc1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000110777723 186324700 /nfs/dbraw/zinc/32/47/00/186324700.db2.gz ZDQNRYBHRUGXSF-JTQLQIEISA-N 1 0 296.392 2.171 10 0 CEAERO [NH3+]C[C@H](Oc1ccccc1CO)c1cccc(F)c1 ZINC000110993288 186341594 /nfs/dbraw/zinc/34/15/94/186341594.db2.gz GFKDPHIJYDDIAT-HNNXBMFYSA-N 1 0 261.296 2.397 10 0 CEAERO CCOc1cc(N(C)C[C@H]2CC[N@H+](C)C2)ccc1N ZINC000111056356 186349603 /nfs/dbraw/zinc/34/96/03/186349603.db2.gz VKQWPAMQZFWVAS-LBPRGKRZSA-N 1 0 263.385 2.055 10 0 CEAERO CC(C)(C)OC(=O)N[C@H](C[NH3+])c1cccc(F)c1F ZINC000111037489 186346819 /nfs/dbraw/zinc/34/68/19/186346819.db2.gz ZMZKBVOCUWQRBC-SNVBAGLBSA-N 1 0 272.295 2.489 10 0 CEAERO Cc1ccnc(Sc2ccc(F)cc2C(N)=[NH2+])n1 ZINC000111035655 186346823 /nfs/dbraw/zinc/34/68/23/186346823.db2.gz FSYVXLKOGZWBJO-UHFFFAOYSA-N 1 0 262.313 2.359 10 0 CEAERO Cc1c[nH+]ccc1N[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000111042866 186347434 /nfs/dbraw/zinc/34/74/34/186347434.db2.gz BYNVTRBEEQBPCA-CYBMUJFWSA-N 1 0 274.345 2.331 10 0 CEAERO COc1cc(N2CC[C@H]([NH+]3CCCCC3)C2)ccc1N ZINC000111056236 186349715 /nfs/dbraw/zinc/34/97/15/186349715.db2.gz AUFVHAODOSNGML-AWEZNQCLSA-N 1 0 275.396 2.342 10 0 CEAERO Cc1cc(F)ccc1[C@@H](CN)[N@H+](C)CC1CCOCC1 ZINC000111159563 186361352 /nfs/dbraw/zinc/36/13/52/186361352.db2.gz JTRAQTMVPRKEAJ-MRXNPFEDSA-N 1 0 280.387 2.492 10 0 CEAERO CN(C[C@H]1CCCOC1)[C@@H](C[NH3+])c1cccc(F)c1F ZINC000111157595 186362814 /nfs/dbraw/zinc/36/28/14/186362814.db2.gz BJYULMLYWKLSPP-RISCZKNCSA-N 1 0 284.350 2.323 10 0 CEAERO C[C@H]1CCCC[C@@]1(CN)[N@H+](C)CC1CCOCC1 ZINC000111159378 186362924 /nfs/dbraw/zinc/36/29/24/186362924.db2.gz IEUFLDUNVXONKL-ZFWWWQNUSA-N 1 0 254.418 2.252 10 0 CEAERO [NH3+]CC1(C(=O)NC[C@H]2C[C@H]3CC[C@@H]2C3)CCCCC1 ZINC000111084455 186351542 /nfs/dbraw/zinc/35/15/42/186351542.db2.gz PHWIGJBJASYDKJ-BFHYXJOUSA-N 1 0 264.413 2.448 10 0 CEAERO CC(C)CCNC(=O)C[NH2+]C[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000111086418 186351651 /nfs/dbraw/zinc/35/16/51/186351651.db2.gz BSEXHLIGCGMSAW-MJBXVCDLSA-N 1 0 252.402 2.175 10 0 CEAERO CCCOCCOc1nc(C)cc(C)c1C[NH2+]C ZINC000111111037 186353885 /nfs/dbraw/zinc/35/38/85/186353885.db2.gz WIHOWMWZFNYYOA-UHFFFAOYSA-N 1 0 252.358 2.223 10 0 CEAERO CCCOCCOc1cc(C[NH3+])nc2ccccc21 ZINC000111110889 186354060 /nfs/dbraw/zinc/35/40/60/186354060.db2.gz YLLVHPKKKCMKKK-UHFFFAOYSA-N 1 0 260.337 2.499 10 0 CEAERO CCC([NH3+])(CC)CNc1nccc(C(F)(F)F)n1 ZINC000130074581 187468974 /nfs/dbraw/zinc/46/89/74/187468974.db2.gz RBIIJQZOVDMBTQ-UHFFFAOYSA-N 1 0 262.279 2.425 10 0 CEAERO CCNc1cc(C[N@H+](CC)CCOCC)ccn1 ZINC000111122304 186354331 /nfs/dbraw/zinc/35/43/31/186354331.db2.gz HIMSDIGPVNJEOS-UHFFFAOYSA-N 1 0 251.374 2.372 10 0 CEAERO CCOCCN(CC)c1ccc(Cl)cc1C(N)=[NH2+] ZINC000111119631 186355106 /nfs/dbraw/zinc/35/51/06/186355106.db2.gz DSIHIEQOUQLWAE-UHFFFAOYSA-N 1 0 269.776 2.487 10 0 CEAERO CN(CCC[NH+](C)C)C(=O)C1(C(N)=S)CCCCCC1 ZINC000111138776 186357459 /nfs/dbraw/zinc/35/74/59/186357459.db2.gz BGSWCPQCQWFYKR-UHFFFAOYSA-N 1 0 299.484 2.023 10 0 CEAERO CNc1nc2ccccc2cc1CN(C)CC[NH+](C)C ZINC000111146103 186358349 /nfs/dbraw/zinc/35/83/49/186358349.db2.gz QDNQBUMBDQEIIN-UHFFFAOYSA-N 1 0 272.396 2.270 10 0 CEAERO CN(CC[NH+](C)C)c1nnc(Cl)c2ccccc21 ZINC000111144345 186358684 /nfs/dbraw/zinc/35/86/84/186358684.db2.gz IHQRKZKHSLXERH-UHFFFAOYSA-N 1 0 264.760 2.281 10 0 CEAERO C[N@H+](CCc1nc2cc(N)ccc2[nH]1)C[C@@H]1CCCOC1 ZINC000111154005 186359959 /nfs/dbraw/zinc/35/99/59/186359959.db2.gz CNQFGOWHLZOGAI-LBPRGKRZSA-N 1 0 288.395 2.046 10 0 CEAERO C[C@@H](NCC[N@H+](C)CC1CCOCC1)c1ccco1 ZINC000111176552 186364615 /nfs/dbraw/zinc/36/46/15/186364615.db2.gz WGBICQMBSHOGHV-CYBMUJFWSA-N 1 0 266.385 2.289 10 0 CEAERO C[NH2+]Cc1c(C)cc(C)nc1N(C)CC1CCOCC1 ZINC000111174373 186365570 /nfs/dbraw/zinc/36/55/70/186365570.db2.gz VPYGVUPRYWMCAM-UHFFFAOYSA-N 1 0 277.412 2.281 10 0 CEAERO CN(C[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)CC1CCOCC1 ZINC000111179394 186366184 /nfs/dbraw/zinc/36/61/84/186366184.db2.gz GSLBJXWBCNBDOX-JYJNAYRXSA-N 1 0 266.429 2.266 10 0 CEAERO [NH3+]C[C@@H]([C@@H]1CCCOC1)N(Cc1cccs1)C1CC1 ZINC000111320931 186397155 /nfs/dbraw/zinc/39/71/55/186397155.db2.gz QJDRKHPHOJGFPL-DOMZBBRYSA-N 1 0 280.437 2.466 10 0 CEAERO C[NH2+]C[C@@]1(CN(C)c2ccc(C)cc2)CCCOC1 ZINC000111327108 186398068 /nfs/dbraw/zinc/39/80/68/186398068.db2.gz KIFXEGFTVZQSPH-MRXNPFEDSA-N 1 0 262.397 2.447 10 0 CEAERO C[NH2+]C[C@@]1(CN(CC(F)(F)F)C2CC2)CCCOC1 ZINC000111326244 186398446 /nfs/dbraw/zinc/39/84/46/186398446.db2.gz YCFPCSVUHKFYBS-GFCCVEGCSA-N 1 0 280.334 2.029 10 0 CEAERO C[NH2+]C[C@@]1(CN(C)Cc2ccc(OC)cc2)CCCOC1 ZINC000111327236 186398800 /nfs/dbraw/zinc/39/88/00/186398800.db2.gz YAVHREAXCCJVKT-QGZVFWFLSA-N 1 0 292.423 2.143 10 0 CEAERO C[C@@H](NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)c1ccsc1 ZINC000111247096 186376356 /nfs/dbraw/zinc/37/63/56/186376356.db2.gz RPNUHXKXUUCTQZ-KCJUWKMLSA-N 1 0 292.326 2.467 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1c1nc(-c2cc(F)cc(F)c2)no1 ZINC000111256542 186378827 /nfs/dbraw/zinc/37/88/27/186378827.db2.gz GYCQIMDIHCYIPM-WRWORJQWSA-N 1 0 265.263 2.338 10 0 CEAERO Cc1ccccc1Cc1noc([C@H]2C[NH2+]C[C@H]2C)n1 ZINC000111256561 186379367 /nfs/dbraw/zinc/37/93/67/186379367.db2.gz RRVLHZPIJKXGJR-YPMHNXCESA-N 1 0 257.337 2.292 10 0 CEAERO COc1ccc(-c2noc([C@H]3C[NH2+]C[C@@H]3C)n2)cc1OC ZINC000111256446 186379791 /nfs/dbraw/zinc/37/97/91/186379791.db2.gz ATLGOHMKGDOQPJ-ONGXEEELSA-N 1 0 289.335 2.077 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000111262998 186380132 /nfs/dbraw/zinc/38/01/32/186380132.db2.gz WEPBQGLAXQMSLY-CABZTGNLSA-N 1 0 286.297 2.177 10 0 CEAERO CSc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000111262967 186380723 /nfs/dbraw/zinc/38/07/23/186380723.db2.gz QHWHWSCOIBKTDU-BXKDBHETSA-N 1 0 250.367 2.203 10 0 CEAERO Cc1cc(N2CCCC2)ccc1NC(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000111265063 186381657 /nfs/dbraw/zinc/38/16/57/186381657.db2.gz KXOWISRWHAEUAQ-DZGCQCFKSA-N 1 0 287.407 2.389 10 0 CEAERO C[C@@H](Cc1cccc(Cl)c1)NC(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000111265657 186381949 /nfs/dbraw/zinc/38/19/49/186381949.db2.gz XWEPSWZQSKHBHL-MJVIPROJSA-N 1 0 280.799 2.243 10 0 CEAERO CC[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@@H]1C)c1ccc(OC)cc1 ZINC000111266146 186383048 /nfs/dbraw/zinc/38/30/48/186383048.db2.gz MRFKPHOEAROXIF-NILFDRSVSA-N 1 0 276.380 2.118 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(-c2cnco2)cc1 ZINC000111267509 186383074 /nfs/dbraw/zinc/38/30/74/186383074.db2.gz UBGQQKWPTIWUOD-ZWNOBZJWSA-N 1 0 271.320 2.136 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)[C@@H]2C[NH2+]C[C@@H]2C)c(C)c1 ZINC000111267415 186383209 /nfs/dbraw/zinc/38/32/09/186383209.db2.gz JJMZPVBZBFRCTL-GZBFAFLISA-N 1 0 260.381 2.336 10 0 CEAERO CC(C)N(Cc1cccs1)C(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000111271811 186384232 /nfs/dbraw/zinc/38/42/32/186384232.db2.gz PRXPUNQMVYHSHT-WCQYABFASA-N 1 0 266.410 2.341 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)NCc1cccc2ccccc21 ZINC000111272395 186385706 /nfs/dbraw/zinc/38/57/06/186385706.db2.gz JAUZNMQUGJQZKQ-BLLLJJGKSA-N 1 0 268.360 2.312 10 0 CEAERO [NH3+]Cc1ccc(C(=O)N2CCC[C@H]3CCCC[C@H]32)nc1 ZINC000111281620 186388329 /nfs/dbraw/zinc/38/83/29/186388329.db2.gz YDSRLPLDSGYDLC-UKRRQHHQSA-N 1 0 273.380 2.335 10 0 CEAERO CN(Cc1cscn1)c1ccc(F)cc1CC[NH3+] ZINC000111483026 186422732 /nfs/dbraw/zinc/42/27/32/186422732.db2.gz DATRZBCLJBDZRJ-UHFFFAOYSA-N 1 0 265.357 2.420 10 0 CEAERO Cc1nn(-c2nc3ccccn3c2C[C@@H](C)[NH3+])c(C)c1C ZINC000111514452 186426342 /nfs/dbraw/zinc/42/63/42/186426342.db2.gz ZXDHNICYQZRIPQ-SNVBAGLBSA-N 1 0 283.379 2.335 10 0 CEAERO Cn1c(=O)[nH]nc1Sc1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000111566661 186429056 /nfs/dbraw/zinc/42/90/56/186429056.db2.gz PLFIKBZOMVIRGA-UHFFFAOYSA-N 1 0 292.408 2.148 10 0 CEAERO C[C@@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)NCCOC1CCCCC1 ZINC000111651192 186437489 /nfs/dbraw/zinc/43/74/89/186437489.db2.gz NQAFFTHSLWJVTR-NFAWXSAZSA-N 1 0 282.428 2.215 10 0 CEAERO CC(C)CCN(CC[NH2+]C[C@@H]1CCCO1)C1CC1 ZINC000111683135 186441665 /nfs/dbraw/zinc/44/16/65/186441665.db2.gz ASWFJDAMXUANDS-HNNXBMFYSA-N 1 0 254.418 2.266 10 0 CEAERO CCCc1nc(CN2CCCC[C@H]2C[NH2+]C(C)C)no1 ZINC000111702548 186447359 /nfs/dbraw/zinc/44/73/59/186447359.db2.gz SNQMNDYPVOJWPM-ZDUSSCGKSA-N 1 0 280.416 2.375 10 0 CEAERO C[NH2+][C@H](C)[C@H]1CCCCN1[C@@H](C)C(=O)Nc1ccccc1 ZINC000111710329 186449210 /nfs/dbraw/zinc/44/92/10/186449210.db2.gz UQAKOUDQMKUARL-IJEWVQPXSA-N 1 0 289.423 2.476 10 0 CEAERO CCC(CC)(C[NH3+])NC(=O)c1cccn1C(C)C ZINC000111831541 186462363 /nfs/dbraw/zinc/46/23/63/186462363.db2.gz BGTIPODILAFABJ-UHFFFAOYSA-N 1 0 251.374 2.316 10 0 CEAERO [NH3+][C@@H]1Cc2ccccc2[C@H]1NC(=O)CC1CCCC1 ZINC000111367201 186406785 /nfs/dbraw/zinc/40/67/85/186406785.db2.gz HJBGHYIQJOEEIQ-GDBMZVCRSA-N 1 0 258.365 2.308 10 0 CEAERO Cc1cccc(C(=O)N[C@@]2(C[NH3+])CCC[C@H](C)C2)n1 ZINC000111369599 186407678 /nfs/dbraw/zinc/40/76/78/186407678.db2.gz NOAXPSLDMFJPNK-NHYWBVRUSA-N 1 0 261.369 2.027 10 0 CEAERO Cc1ccc(C(=O)N[C@]2(C[NH3+])CCC[C@H](C)C2)c(C)n1 ZINC000111369663 186407793 /nfs/dbraw/zinc/40/77/93/186407793.db2.gz JJEFPWIANGJMPI-MEDUHNTESA-N 1 0 275.396 2.336 10 0 CEAERO CC1CCC(C[NH3+])(NC(=O)c2ccccc2F)CC1 ZINC000111370382 186408526 /nfs/dbraw/zinc/40/85/26/186408526.db2.gz WHONXPXVWOXFGI-UHFFFAOYSA-N 1 0 264.344 2.463 10 0 CEAERO CCS(=O)(=O)c1ccc(N[C@H](C[NH3+])CC(C)C)cc1 ZINC000111377022 186409935 /nfs/dbraw/zinc/40/99/35/186409935.db2.gz BBIICPLYMXNBDH-ZDUSSCGKSA-N 1 0 284.425 2.266 10 0 CEAERO C[NH2+]CCN(C)C(=O)[C@@H](Sc1ccccc1)C(C)C ZINC000120567485 186909172 /nfs/dbraw/zinc/90/91/72/186909172.db2.gz PEASXSOVRYRHMF-AWEZNQCLSA-N 1 0 280.437 2.481 10 0 CEAERO CC(C)c1cc(N2CC[NH2+]CC2)nc(-c2cccnc2)n1 ZINC000070451646 363083504 /nfs/dbraw/zinc/08/35/04/363083504.db2.gz ZQWKAUBVZRXDIG-UHFFFAOYSA-N 1 0 283.379 2.072 10 0 CEAERO Cc1noc(C)c1CC[NH2+]Cc1c(Cl)cnn1C ZINC000131325744 366043088 /nfs/dbraw/zinc/04/30/88/366043088.db2.gz UXPKECKQPBSTSF-UHFFFAOYSA-N 1 0 268.748 2.011 10 0 CEAERO Cc1cccc(-c2ccc(N3CCC[NH2+]CC3)nn2)c1 ZINC000070458904 363086165 /nfs/dbraw/zinc/08/61/65/363086165.db2.gz VDZLWVHSXBXBQH-UHFFFAOYSA-N 1 0 268.364 2.252 10 0 CEAERO CCc1nc(NC2CC[NH2+]CC2)cc(-c2ccccn2)n1 ZINC000070451789 363084201 /nfs/dbraw/zinc/08/42/01/363084201.db2.gz HTSZSBJBIPRKSM-UHFFFAOYSA-N 1 0 283.379 2.265 10 0 CEAERO Cc1cc(NC[C@H]2CCC[NH2+]C2)nc(-c2ccncc2)n1 ZINC000070456264 363084763 /nfs/dbraw/zinc/08/47/63/363084763.db2.gz WNZOMNDVLNACFA-ZDUSSCGKSA-N 1 0 283.379 2.259 10 0 CEAERO CC(C)c1nc(-c2cccnc2)cc(N2CC[C@@H]([NH3+])C2)n1 ZINC000070455974 363085122 /nfs/dbraw/zinc/08/51/22/363085122.db2.gz SVNIUDACZZMGFM-CYBMUJFWSA-N 1 0 283.379 2.199 10 0 CEAERO CO[C@@H]1CN(Cc2ccc(Cl)cc2F)[C@@](C)(C[NH3+])C1 ZINC000630362762 351711802 /nfs/dbraw/zinc/71/18/02/351711802.db2.gz BSBOZOWLZKGLOM-GXTWGEPZSA-N 1 0 286.778 2.417 10 0 CEAERO CO[C@@H]1CN(Cc2ccc(Cl)c(F)c2)[C@](C)(C[NH3+])C1 ZINC000630365458 351712992 /nfs/dbraw/zinc/71/29/92/351712992.db2.gz ICNQSVDCIGXGAP-FZMZJTMJSA-N 1 0 286.778 2.417 10 0 CEAERO CO[C@@H]1CN(Cc2nc3ccccc3s2)[C@](C)(C[NH3+])C1 ZINC000630367306 351714598 /nfs/dbraw/zinc/71/45/98/351714598.db2.gz NRPOGOYDBSRQRW-NHYWBVRUSA-N 1 0 291.420 2.234 10 0 CEAERO C[C@]12C[NH2+]C[C@@]1(C)CN(c1cncc(Br)c1)C2 ZINC000630538130 351777273 /nfs/dbraw/zinc/77/72/73/351777273.db2.gz ISYVJFQXQOKJSM-BETUJISGSA-N 1 0 296.212 2.280 10 0 CEAERO Cc1ccnc(N[C@@H]2CC[NH2+][C@H]2C)c1Br ZINC000630543073 351778870 /nfs/dbraw/zinc/77/88/70/351778870.db2.gz AYAMUTPJLSUKOJ-DTWKUNHWSA-N 1 0 270.174 2.315 10 0 CEAERO CS(=O)(=O)c1ccccc1N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000630557858 351785546 /nfs/dbraw/zinc/78/55/46/351785546.db2.gz UHHXGJNBYZTQLH-HAQNSBGRSA-N 1 0 282.409 2.020 10 0 CEAERO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3cccn3C)C2)n1 ZINC000122027004 187011091 /nfs/dbraw/zinc/01/10/91/187011091.db2.gz JKVAXALGAUSPSV-OAHLLOKOSA-N 1 0 287.411 2.146 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(F)cn1 ZINC000122636475 187042621 /nfs/dbraw/zinc/04/26/21/187042621.db2.gz HMPLBLZOAJFCRV-QWHCGFSZSA-N 1 0 292.358 2.311 10 0 CEAERO CCn1cc(C[N@@H+]2CCC[C@H](n3cc(C)cn3)C2)cn1 ZINC000122993666 187064229 /nfs/dbraw/zinc/06/42/29/187064229.db2.gz POZWBZAJDFQUIV-HNNXBMFYSA-N 1 0 273.384 2.245 10 0 CEAERO CC[C@@H]([NH2+]C[C@@H](C)N1CCOCC1)c1ccc(OC)cc1 ZINC000123351591 187086472 /nfs/dbraw/zinc/08/64/72/187086472.db2.gz VNNBSSSYLUIVIB-RHSMWYFYSA-N 1 0 292.423 2.457 10 0 CEAERO CCN(CC)c1ccc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000070574944 363097182 /nfs/dbraw/zinc/09/71/82/363097182.db2.gz YAJLAWUHCZAJNB-QWHCGFSZSA-N 1 0 290.411 2.384 10 0 CEAERO CCN(CC)c1ccc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000070574942 363097263 /nfs/dbraw/zinc/09/72/63/363097263.db2.gz YAJLAWUHCZAJNB-STQMWFEESA-N 1 0 290.411 2.384 10 0 CEAERO [NH3+][C@@H](c1cc(Br)cs1)c1cncnc1 ZINC000070598942 363100324 /nfs/dbraw/zinc/10/03/24/363100324.db2.gz SCTDLJWWUHWYLX-SECBINFHSA-N 1 0 270.155 2.349 10 0 CEAERO CC(C)(C)OC(=O)N1C[C@@H](C2CC2)[NH2+]C[C@H]1C1CC1 ZINC000071372365 363108399 /nfs/dbraw/zinc/10/83/99/363108399.db2.gz LJTPAFSSEODCRE-STQMWFEESA-N 1 0 266.385 2.384 10 0 CEAERO CCC[C@H]([NH3+])C(=O)Nc1cccc(NC(C)=O)c1C ZINC000236939703 370659882 /nfs/dbraw/zinc/65/98/82/370659882.db2.gz CPDBXPGCDHJNFJ-NSHDSACASA-N 1 0 263.341 2.019 10 0 CEAERO CC(C)(C)c1csc(Cn2cc(C(C)(C)[NH3+])nn2)n1 ZINC000094976041 539887727 /nfs/dbraw/zinc/88/77/27/539887727.db2.gz DMXBLLVOUQQPQP-UHFFFAOYSA-N 1 0 279.413 2.274 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCC[NH2+]2)cc1F ZINC000094956563 539888547 /nfs/dbraw/zinc/88/85/47/539888547.db2.gz KBSONPLWBFACHM-RISCZKNCSA-N 1 0 264.344 2.453 10 0 CEAERO CCC[C@@H](C(=O)NCCc1cccc(OC)c1)[NH+](C)C ZINC000136237775 187872641 /nfs/dbraw/zinc/87/26/41/187872641.db2.gz QWORHBHQJHMISV-HNNXBMFYSA-N 1 0 278.396 2.084 10 0 CEAERO [NH3+]C[C@H]1c2ccccc2CCN1c1ncncc1Cl ZINC000097848345 539953246 /nfs/dbraw/zinc/95/32/46/539953246.db2.gz YGSPOHJERFPUFJ-ZDUSSCGKSA-N 1 0 274.755 2.193 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCC[C@H]1c1ccncc1 ZINC000250153404 539963884 /nfs/dbraw/zinc/96/38/84/539963884.db2.gz BMPAPRRQDAEHGN-ZNMIVQPWSA-N 1 0 273.380 2.120 10 0 CEAERO Cc1ccccc1OCCCN1CCO[C@@H](C[NH+](C)C)C1 ZINC000155343324 188199808 /nfs/dbraw/zinc/19/98/08/188199808.db2.gz KMPWCQURNUBIIH-INIZCTEOSA-N 1 0 292.423 2.026 10 0 CEAERO COc1cccc(CC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000155601818 188215940 /nfs/dbraw/zinc/21/59/40/188215940.db2.gz ZMHXRGWOGCLQLZ-CJNGLKHVSA-N 1 0 290.407 2.083 10 0 CEAERO C[C@H]1C[C@H](NC(=O)C2CCC([NH3+])CC2)C[C@@H](C)C1 ZINC000251778056 539990811 /nfs/dbraw/zinc/99/08/11/539990811.db2.gz FJFRNBJPGRRRBK-RLEFABKSSA-N 1 0 252.402 2.445 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CCOc2ccccc2)C1 ZINC000155802659 188228077 /nfs/dbraw/zinc/22/80/77/188228077.db2.gz UUWRKBCJOHOBII-ZBFHGGJFSA-N 1 0 290.407 2.300 10 0 CEAERO COC(=O)CCC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000037417084 290997869 /nfs/dbraw/zinc/99/78/69/290997869.db2.gz QOYUGTRLLZEPAH-UHFFFAOYSA-N 1 0 251.370 2.354 10 0 CEAERO CC(C)C1([NH2+]C[C@H](O)COc2ccccc2F)CC1 ZINC000293014692 198496052 /nfs/dbraw/zinc/49/60/52/198496052.db2.gz OJBWVKPGIZASAK-LBPRGKRZSA-N 1 0 267.344 2.344 10 0 CEAERO O[C@H]1C[NH2+][C@@H](c2nc(-c3cccc4ccccc43)no2)C1 ZINC000132275479 366132226 /nfs/dbraw/zinc/13/22/26/366132226.db2.gz VOHNFNJPILMJOJ-BXUZGUMPSA-N 1 0 281.315 2.285 10 0 CEAERO Cc1ccc([C@H](C)[NH2+]CC2(O)CCOCC2)cc1C ZINC000162272868 188567138 /nfs/dbraw/zinc/56/71/38/188567138.db2.gz NPFOZFWHYOKJSU-AWEZNQCLSA-N 1 0 263.381 2.496 10 0 CEAERO CCOC(=O)c1csc(N(C)C[C@H]2CCC[N@@H+]2CC)n1 ZINC000133161932 366201538 /nfs/dbraw/zinc/20/15/38/366201538.db2.gz GWWJXVCEDLQCNB-LLVKDONJSA-N 1 0 297.424 2.240 10 0 CEAERO CCC[N@H+](C)C1(CN)CCN(C(=O)OC(C)(C)C)CC1 ZINC000058041146 283051968 /nfs/dbraw/zinc/05/19/68/283051968.db2.gz GUPRDHRPCWJYSH-UHFFFAOYSA-N 1 0 285.432 2.057 10 0 CEAERO CC(C)(C)OC(=O)N[C@@H](CC[NH2+]C1CC1)C(F)F ZINC000675051264 540064539 /nfs/dbraw/zinc/06/45/39/540064539.db2.gz OFAOVTQAOGSMSK-VIFPVBQESA-N 1 0 264.316 2.287 10 0 CEAERO O=C(Nc1nc(C2CC2)cs1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171807694 188761183 /nfs/dbraw/zinc/76/11/83/188761183.db2.gz GYCQFYXFMFQUOF-LLVKDONJSA-N 1 0 292.408 2.332 10 0 CEAERO CC1(C(=O)N([C@H](CC[NH3+])C(F)(F)F)C2CC2)CC1 ZINC000675056123 540073582 /nfs/dbraw/zinc/07/35/82/540073582.db2.gz CTIRLKHFYWXUIY-SECBINFHSA-N 1 0 264.291 2.057 10 0 CEAERO CC(C)(C)OC(=O)c1cc2c(cc1F)CC[NH2+]C2 ZINC000675074430 540115739 /nfs/dbraw/zinc/11/57/39/540115739.db2.gz 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ZINC000237952775 370763269 /nfs/dbraw/zinc/76/32/69/370763269.db2.gz BHWAXKUOZRQPNV-WCQYABFASA-N 1 0 262.328 2.232 10 0 CEAERO Cc1nc2ccccc2n1CC[NH2+]Cc1cnn(C)c1C ZINC000093649354 364209135 /nfs/dbraw/zinc/20/91/35/364209135.db2.gz SNHLIRRHXLLWTP-UHFFFAOYSA-N 1 0 283.379 2.176 10 0 CEAERO COc1c(C[N@H+](C)CCc2cccs2)c(C)nn1C ZINC000093685495 364215767 /nfs/dbraw/zinc/21/57/67/364215767.db2.gz XYORVECXBLKFJZ-UHFFFAOYSA-N 1 0 279.409 2.473 10 0 CEAERO [NH3+]CCCOC1CCN(c2nc3ccccc3o2)CC1 ZINC000094073154 364251052 /nfs/dbraw/zinc/25/10/52/364251052.db2.gz IMBYCFGGRYKZHV-UHFFFAOYSA-N 1 0 275.352 2.162 10 0 CEAERO Clc1nccc(COCC[C@H]2CCC[NH2+]C2)n1 ZINC000095070317 364329643 /nfs/dbraw/zinc/32/96/43/364329643.db2.gz QQERYQMLENVUQV-SNVBAGLBSA-N 1 0 255.749 2.036 10 0 CEAERO CCOc1nc2ccccc2nc1NC[C@@H]1CCC[NH2+]C1 ZINC000095069718 364330229 /nfs/dbraw/zinc/33/02/29/364330229.db2.gz LWCIDPNKFRTOHM-GFCCVEGCSA-N 1 0 286.379 2.440 10 0 CEAERO Clc1ccc(COCCC[C@H]2CCC[NH2+]C2)nn1 ZINC000095070508 364330926 /nfs/dbraw/zinc/33/09/26/364330926.db2.gz RGQLZCZXQFXRSE-LLVKDONJSA-N 1 0 269.776 2.426 10 0 CEAERO Clc1nc2ccccc2nc1OC[C@H]1CC[NH2+]C1 ZINC000095070471 364331370 /nfs/dbraw/zinc/33/13/70/364331370.db2.gz ULDFCKCVKJERAZ-VIFPVBQESA-N 1 0 263.728 2.272 10 0 CEAERO [NH3+]CC1CCN(c2cccc(Br)n2)CC1 ZINC000095072691 364332282 /nfs/dbraw/zinc/33/22/82/364332282.db2.gz OSNMWRSDXQXQOT-UHFFFAOYSA-N 1 0 270.174 2.019 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@H](CC[NH2+]C2CC2)C1 ZINC000095083455 364335733 /nfs/dbraw/zinc/33/57/33/364335733.db2.gz BWPDTANGECRMQP-NSHDSACASA-N 1 0 254.374 2.386 10 0 CEAERO CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H](CCO)[NH2+]C1CC1 ZINC000095086196 364336552 /nfs/dbraw/zinc/33/65/52/364336552.db2.gz HTJWTDQXKSHSTP-UONOGXRCSA-N 1 0 298.427 2.279 10 0 CEAERO CC[NH2+][C@H](CCO)[C@@H]1CCCCN1Cc1ccccc1 ZINC000095091381 364337540 /nfs/dbraw/zinc/33/75/40/364337540.db2.gz NCKSHUQDCDWBCF-SJORKVTESA-N 1 0 276.424 2.402 10 0 CEAERO CC(C)[NH2+]Cc1ncncc1NC(=O)OC(C)(C)C ZINC000095088482 364338124 /nfs/dbraw/zinc/33/81/24/364338124.db2.gz OIDJRLMMCZHQPV-UHFFFAOYSA-N 1 0 266.345 2.322 10 0 CEAERO CC(C)(C)OC(=O)N1CC[NH2+][C@@H]2CCCC[C@H]2C1 ZINC000095215334 364341666 /nfs/dbraw/zinc/34/16/66/364341666.db2.gz HRQAUZRRQQJTJN-NWDGAFQWSA-N 1 0 254.374 2.386 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](C(=O)Nc2cccc3ncccc32)C1 ZINC000097092204 364446342 /nfs/dbraw/zinc/44/63/42/364446342.db2.gz MHPJMKFDQJXIFO-GHMZBOCLSA-N 1 0 255.321 2.301 10 0 CEAERO CC[C@@](C)([NH3+])c1noc(C(F)(F)Br)n1 ZINC000156779894 366838118 /nfs/dbraw/zinc/83/81/18/366838118.db2.gz GBBTUVUERQQWQF-ZCFIWIBFSA-N 1 0 270.077 2.098 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)NCC[N@@H+](C)C(C)C)o1 ZINC000101976021 364581622 /nfs/dbraw/zinc/58/16/22/364581622.db2.gz ZFNPLXZPLNWYBD-GFCCVEGCSA-N 1 0 267.373 2.288 10 0 CEAERO CCCC(=O)N[C@@H]1CCC[N@H+](CCCCCOC)C1 ZINC000103227776 364633726 /nfs/dbraw/zinc/63/37/26/364633726.db2.gz MNBUJWZWVRPIKS-CQSZACIVSA-N 1 0 270.417 2.184 10 0 CEAERO C[C@H]([NH3+])[C@@H]1CCCN(c2cnc3ccccc3n2)C1 ZINC000111715853 364756007 /nfs/dbraw/zinc/75/60/07/364756007.db2.gz SDATYBDIBFSIAL-NWDGAFQWSA-N 1 0 256.353 2.193 10 0 CEAERO CCn1cc(CN[C@H](C[NH+](C)C)c2ccccc2)cn1 ZINC000112095801 364773603 /nfs/dbraw/zinc/77/36/03/364773603.db2.gz PNHLVVFDTFJYKM-MRXNPFEDSA-N 1 0 272.396 2.296 10 0 CEAERO C[C@@H](NC(=O)NCC1CC[NH+](C)CC1)C(C)(C)C ZINC000112452965 364809697 /nfs/dbraw/zinc/80/96/97/364809697.db2.gz WDONSNXTUABJNZ-LLVKDONJSA-N 1 0 255.406 2.062 10 0 CEAERO CSc1ccc(C)c(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000335616601 212329531 /nfs/dbraw/zinc/32/95/31/212329531.db2.gz JSBJMTFUOODXSP-GXFFZTMASA-N 1 0 264.394 2.136 10 0 CEAERO CC(=O)c1csc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000113227148 364876127 /nfs/dbraw/zinc/87/61/27/364876127.db2.gz IMPZDVATRRTOMJ-GXFFZTMASA-N 1 0 292.404 2.259 10 0 CEAERO COCc1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000113225354 364876822 /nfs/dbraw/zinc/87/68/22/364876822.db2.gz IMJQLZYJNOPJKX-CZUORRHYSA-N 1 0 288.391 2.142 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]Cc2ccccc2Cl)C1 ZINC000113266858 364880917 /nfs/dbraw/zinc/88/09/17/364880917.db2.gz IKMKGWFCUUQHEN-ZDUSSCGKSA-N 1 0 268.788 2.150 10 0 CEAERO C[C@H](NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)c1cccnc1 ZINC000113582290 364905624 /nfs/dbraw/zinc/90/56/24/364905624.db2.gz XNBLWXVPANOGEX-KCQAQPDRSA-N 1 0 288.395 2.021 10 0 CEAERO [NH3+]C[C@@H]1CN(c2ccccn2)C[C@H]1c1ccccc1 ZINC000335604723 212317265 /nfs/dbraw/zinc/31/72/65/212317265.db2.gz QAQRRRHQDPPKLC-CABCVRRESA-N 1 0 253.349 2.260 10 0 CEAERO COc1cccc([C@H](C)C(=O)N[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000193486816 189644251 /nfs/dbraw/zinc/64/42/51/189644251.db2.gz QMPOWUDLTIFKKP-SLEUVZQESA-N 1 0 276.380 2.055 10 0 CEAERO Cc1nc2cc(NC(=O)[C@@H]3CCC[NH2+][C@H]3C)ccc2o1 ZINC000335596246 212308166 /nfs/dbraw/zinc/30/81/66/212308166.db2.gz GLVOHLYAXZLVFY-JOYOIKCWSA-N 1 0 273.336 2.463 10 0 CEAERO C[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2ccco2)CC1 ZINC000116521533 365060453 /nfs/dbraw/zinc/06/04/53/365060453.db2.gz OUOVMAVBTORUNZ-CYBMUJFWSA-N 1 0 277.368 2.220 10 0 CEAERO CCCCCC[C@H](C)NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000117024018 365088981 /nfs/dbraw/zinc/08/89/81/365088981.db2.gz RLRLFSHNHFRUKI-GJZGRUSLSA-N 1 0 299.459 2.317 10 0 CEAERO COCCCC[N@@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000117880520 365129103 /nfs/dbraw/zinc/12/91/03/365129103.db2.gz OZBQYHQENQVLEG-HNNXBMFYSA-N 1 0 280.416 2.034 10 0 CEAERO CCCCC[NH+]1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000117880238 365129640 /nfs/dbraw/zinc/12/96/40/365129640.db2.gz HVAXUDYRUFCEKK-GFCCVEGCSA-N 1 0 266.389 2.247 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CSc3ccccc32)C1 ZINC000118330094 365149379 /nfs/dbraw/zinc/14/93/79/365149379.db2.gz XZAYIHJESMLHPM-DGCLKSJQSA-N 1 0 276.405 2.038 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccc(O)cc1 ZINC000119386621 365265032 /nfs/dbraw/zinc/26/50/32/365265032.db2.gz GZADJNPHSMABRS-OAHLLOKOSA-N 1 0 290.407 2.171 10 0 CEAERO CSc1cc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)ccn1 ZINC000159020724 366870172 /nfs/dbraw/zinc/87/01/72/366870172.db2.gz MGZMMCUYOZMGMN-AAEUAGOBSA-N 1 0 293.436 2.262 10 0 CEAERO CC[C@H](C)C[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000120487167 365431207 /nfs/dbraw/zinc/43/12/07/365431207.db2.gz ZCNIJEMMIIVHRW-HNNXBMFYSA-N 1 0 278.444 2.325 10 0 CEAERO COCC[N@@H+]1CCN(Cc2cc(F)cc(F)c2)C[C@H]1C ZINC000120777444 365474620 /nfs/dbraw/zinc/47/46/20/365474620.db2.gz NVJIKKFTNRLVHN-GFCCVEGCSA-N 1 0 284.350 2.117 10 0 CEAERO CS[C@H](C)CNC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000120786150 365474957 /nfs/dbraw/zinc/47/49/57/365474957.db2.gz QUPNSNNJEHFGTM-TZMCWYRMSA-N 1 0 295.452 2.340 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)c1cc(F)ccc1F ZINC000282417539 299360030 /nfs/dbraw/zinc/36/00/30/299360030.db2.gz QPEYMUYURAILLW-MWODSPESSA-N 1 0 268.307 2.283 10 0 CEAERO C[C@@H]1C[C@@H]([NH2+]CCCS(C)(=O)=O)CC(C)(C)C1 ZINC000038046963 288561868 /nfs/dbraw/zinc/56/18/68/288561868.db2.gz ZNCCPLIUEHLFCO-VXGBXAGGSA-N 1 0 261.431 2.226 10 0 CEAERO COC[C@@H]([NH3+])C(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000159255284 366894671 /nfs/dbraw/zinc/89/46/71/366894671.db2.gz UQBCJZWKVVNWDI-CHWSQXEVSA-N 1 0 282.359 2.003 10 0 CEAERO C[C@H]1COC[C@H](C)[NH+]1CCCCCn1cccn1 ZINC000120827950 365481897 /nfs/dbraw/zinc/48/18/97/365481897.db2.gz ULPJWQNNKOVMSI-KBPBESRZSA-N 1 0 251.374 2.163 10 0 CEAERO COc1c(C[NH2+][C@@H](C)CC2CCC2)c(C)nn1C ZINC000680857307 541464256 /nfs/dbraw/zinc/46/42/56/541464256.db2.gz HQBADJFPUXEXAH-JTQLQIEISA-N 1 0 251.374 2.405 10 0 CEAERO Cc1cccc(OCC[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000583487549 367056258 /nfs/dbraw/zinc/05/62/58/367056258.db2.gz FJVJHBVDYKXREQ-HUUCEWRRSA-N 1 0 262.397 2.352 10 0 CEAERO Cc1cccc(OCC[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000583487548 367056346 /nfs/dbraw/zinc/05/63/46/367056346.db2.gz FJVJHBVDYKXREQ-GJZGRUSLSA-N 1 0 262.397 2.352 10 0 CEAERO C[C@H]1CCCN(c2ccnc3cccnc32)[C@H]1C[NH3+] ZINC000341015978 367134072 /nfs/dbraw/zinc/13/40/72/367134072.db2.gz NGRRVNLWANSXSP-FZMZJTMJSA-N 1 0 256.353 2.193 10 0 CEAERO CCC[C@@H](C(=O)NC[C@@H](C)N(C)c1ccccc1)[NH+](C)C ZINC000161584783 367099932 /nfs/dbraw/zinc/09/99/32/367099932.db2.gz RAAKBJVFSXVGPF-ZBFHGGJFSA-N 1 0 291.439 2.358 10 0 CEAERO CC(=O)Nc1ccc(CN2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000245554862 370838783 /nfs/dbraw/zinc/83/87/83/370838783.db2.gz HKXSAIAYTIOADI-KRWDZBQOSA-N 1 0 287.407 2.315 10 0 CEAERO C[C@H]1CN(C(=O)c2ccccc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC000638883916 370818549 /nfs/dbraw/zinc/81/85/49/370818549.db2.gz CIXJDNHQCCEZCO-UWVGGRQHSA-N 1 0 286.297 2.372 10 0 CEAERO C[C@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@H]1C[NH3+] ZINC000638884444 370818679 /nfs/dbraw/zinc/81/86/79/370818679.db2.gz CNMNVBPFWHQYEY-QWHCGFSZSA-N 1 0 260.381 2.017 10 0 CEAERO C[C@@H]1CN(C(=O)CC2CCCCCC2)C[C@@H]1C[NH3+] ZINC000638886091 370820260 /nfs/dbraw/zinc/82/02/60/370820260.db2.gz FYMSDKKDIPXGNA-OCCSQVGLSA-N 1 0 252.402 2.400 10 0 CEAERO C[C@H]1CN(C(=O)c2ccccc2Br)C[C@H]1C[NH3+] ZINC000638886796 370820846 /nfs/dbraw/zinc/82/08/46/370820846.db2.gz SUPJRADKXKYHAE-VHSXEESVSA-N 1 0 297.196 2.116 10 0 CEAERO C[C@@H]1CN(C(=O)CCCc2cccs2)C[C@H]1C[NH3+] ZINC000638891289 370823793 /nfs/dbraw/zinc/82/37/93/370823793.db2.gz ZMMZWMZSUAUUKL-VXGBXAGGSA-N 1 0 266.410 2.124 10 0 CEAERO CC(C)(C)c1nnc(N2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000245683572 370857115 /nfs/dbraw/zinc/85/71/15/370857115.db2.gz LOPPDMDKNBXJHB-JTQLQIEISA-N 1 0 266.414 2.120 10 0 CEAERO Cc1nn(C)cc1C[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000341457188 367341906 /nfs/dbraw/zinc/34/19/06/367341906.db2.gz KJQILRXPVUSKOK-PTEHBNRSSA-N 1 0 251.374 2.022 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@H](C)c2ccc(Cl)cn2)C1 ZINC000681395101 541545955 /nfs/dbraw/zinc/54/59/55/541545955.db2.gz NDHFRMHTVUFWGZ-DGCLKSJQSA-N 1 0 283.803 2.106 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000170863684 367433805 /nfs/dbraw/zinc/43/38/05/367433805.db2.gz FSLRZJOPSFUXRM-GFCCVEGCSA-N 1 0 286.297 2.482 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(OC(F)F)cc2)C1 ZINC000170861951 367434536 /nfs/dbraw/zinc/43/45/36/367434536.db2.gz HCXXZMYVGMFYRN-LLVKDONJSA-N 1 0 284.306 2.064 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2cccc3cccnc32)C1 ZINC000170874736 367437465 /nfs/dbraw/zinc/43/74/65/367437465.db2.gz HUHDEQIYHZUHMH-ZDUSSCGKSA-N 1 0 284.363 2.403 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2nc3ccccc3s2)C1 ZINC000170874644 367438445 /nfs/dbraw/zinc/43/84/45/367438445.db2.gz GPIZWHWPJXRTFZ-JTQLQIEISA-N 1 0 290.392 2.464 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]Cc2cc(C)nn2C)c1C ZINC000342601008 367444812 /nfs/dbraw/zinc/44/48/12/367444812.db2.gz UCNNSBFJPNGKJO-NSHDSACASA-N 1 0 275.400 2.413 10 0 CEAERO C[C@H]1CN(Cc2nc(C(C)(C)C)cs2)C[C@@H]1C[NH3+] ZINC000631839175 367578680 /nfs/dbraw/zinc/57/86/80/367578680.db2.gz BKAVHNCATYWCKA-QWRGUYRKSA-N 1 0 267.442 2.467 10 0 CEAERO CC[C@H]1C[N@@H+]([C@H]2C=CCCC2)CCN1CCOC ZINC000171746203 367608357 /nfs/dbraw/zinc/60/83/57/367608357.db2.gz CIEYKLRKRBGACY-GJZGRUSLSA-N 1 0 252.402 2.138 10 0 CEAERO CC(C)n1ccnc1CN1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631890591 367611782 /nfs/dbraw/zinc/61/17/82/367611782.db2.gz 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CCc1nn(C)cc1C[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000180615029 542265881 /nfs/dbraw/zinc/26/58/81/542265881.db2.gz HQEWDQIGWKRLIP-HNNXBMFYSA-N 1 0 287.411 2.152 10 0 CEAERO Cc1nc2c(c(N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)n1)CCCC2 ZINC000302046563 379318384 /nfs/dbraw/zinc/31/83/84/379318384.db2.gz LBAXXTRZUGTZJM-JSGCOSHPSA-N 1 0 286.423 2.337 10 0 CEAERO C[C@H]1COC[C@H](C)N1CC[N@H+](C)Cc1ccc(F)cc1 ZINC000181714907 542274777 /nfs/dbraw/zinc/27/47/77/542274777.db2.gz PVVFLCYGUNVDMA-KBPBESRZSA-N 1 0 280.387 2.367 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)/C=C\c1ccc(O)cc1 ZINC000492611431 380623542 /nfs/dbraw/zinc/62/35/42/380623542.db2.gz IVGJMYMINKTTEL-MEODZPNASA-N 1 0 288.391 2.348 10 0 CEAERO OCCC[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cn1 ZINC000554497307 380774357 /nfs/dbraw/zinc/77/43/57/380774357.db2.gz MOALBTYGMKSYPM-CYBMUJFWSA-N 1 0 254.761 2.472 10 0 CEAERO COCCC[C@H](C)[NH2+][C@H](C)c1nnc2n1CCCC2 ZINC000178076459 284923068 /nfs/dbraw/zinc/92/30/68/284923068.db2.gz XGSKLOOQPWYGGS-NWDGAFQWSA-N 1 0 266.389 2.080 10 0 CEAERO COC[C@H](C)C[NH2+][C@H](C)COCc1ccccc1 ZINC000188059327 542319693 /nfs/dbraw/zinc/31/96/93/542319693.db2.gz ZPSFHUITNWGKKM-ZIAGYGMSSA-N 1 0 251.370 2.464 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000037044832 184539254 /nfs/dbraw/zinc/53/92/54/184539254.db2.gz SOGFECGLSSYMAY-CQSZACIVSA-N 1 0 261.369 2.353 10 0 CEAERO Cc1nn(-c2c(C[NH2+]C3CC3)c(C)nn2C)c(C)c1C ZINC000040731111 184547580 /nfs/dbraw/zinc/54/75/80/184547580.db2.gz QHVFKDOHXQEBSF-UHFFFAOYSA-N 1 0 273.384 2.091 10 0 CEAERO CC[NH2+][C@@H](C)c1sc(N2CCCOCC2)nc1C ZINC000061936809 184567872 /nfs/dbraw/zinc/56/78/72/184567872.db2.gz APLILGBYVKLTSJ-JTQLQIEISA-N 1 0 269.414 2.349 10 0 CEAERO C[C@H]1C[C@H](C(=O)NCC(C)(C)[NH+](C)C)c2ccccc2N1 ZINC000043412113 184560000 /nfs/dbraw/zinc/56/00/00/184560000.db2.gz HORAHSHYAWPZKO-JSGCOSHPSA-N 1 0 289.423 2.431 10 0 CEAERO COC(OC)[C@H](C)[NH2+]Cc1c(C)nc2scc(C)n12 ZINC000079608944 184595674 /nfs/dbraw/zinc/59/56/74/184595674.db2.gz BKJLXDMOAWGSKT-JTQLQIEISA-N 1 0 283.397 2.110 10 0 CEAERO CC[NH2+][C@@H]1CCC2(C[C@H]1Sc1ccccn1)OCCO2 ZINC000081864885 184598229 /nfs/dbraw/zinc/59/82/29/184598229.db2.gz LHOWLSPZXCXYFY-CHWSQXEVSA-N 1 0 294.420 2.447 10 0 CEAERO CC(C)CNC(=O)[C@H](C)OC1(C[NH3+])CCCCCC1 ZINC000086724540 184610528 /nfs/dbraw/zinc/61/05/28/184610528.db2.gz MZPKTRNLEVEZRF-ZDUSSCGKSA-N 1 0 270.417 2.215 10 0 CEAERO C[NH2+][C@@H](CC[C@H]1CCCO1)c1ccc2c(c1)CC(=O)N2 ZINC000087213310 184613004 /nfs/dbraw/zinc/61/30/04/184613004.db2.gz NTHCENXBZKKODX-KGLIPLIRSA-N 1 0 274.364 2.401 10 0 CEAERO O=S(=O)(c1ccccc1C[NH2+]C1CC1)N1CCCCC1 ZINC000088921645 184614332 /nfs/dbraw/zinc/61/43/32/184614332.db2.gz PQWVJRMUIRANLM-UHFFFAOYSA-N 1 0 294.420 2.113 10 0 CEAERO C[NH2+]Cc1cc(S(=O)(=O)N2CCCCCC2)cs1 ZINC000088913267 184614564 /nfs/dbraw/zinc/61/45/64/184614564.db2.gz UPXBNIZFZUYURG-UHFFFAOYSA-N 1 0 288.438 2.032 10 0 CEAERO CC[C@@H](C)CN(C)S(=O)(=O)Cc1ccc(C[NH2+]C)cc1 ZINC000088952826 184615474 /nfs/dbraw/zinc/61/54/74/184615474.db2.gz MSDOVGBPJXVDQX-CYBMUJFWSA-N 1 0 298.452 2.214 10 0 CEAERO CC1(C)C(C[NH2+]CCNCC(F)(F)F)C1(C)C ZINC000092819952 184629133 /nfs/dbraw/zinc/62/91/33/184629133.db2.gz XORBJSGMXJDEPO-UHFFFAOYSA-N 1 0 252.324 2.410 10 0 CEAERO CCC[NH2+][C@@H]1c2cc(OC)ccc2C[C@H]1SCCO ZINC000092860259 184632746 /nfs/dbraw/zinc/63/27/46/184632746.db2.gz WCGHHWFPWRKDKV-HUUCEWRRSA-N 1 0 281.421 2.386 10 0 CEAERO COc1ccc2c(c1)[C@@H](O)[C@@H]([NH+]1CCC(C)CC1)C2 ZINC000092858285 184632535 /nfs/dbraw/zinc/63/25/35/184632535.db2.gz NILWWOFRHDJOII-JKSUJKDBSA-N 1 0 261.365 2.385 10 0 CEAERO C[C@H]1CCC[C@H](C)C1[NH2+]CCCC(=O)NC1CC1 ZINC000092987371 184641258 /nfs/dbraw/zinc/64/12/58/184641258.db2.gz KVQIPVCNBJVKFC-RYUDHWBXSA-N 1 0 252.402 2.460 10 0 CEAERO COCc1ccccc1C[NH2+][C@@H](C)[C@H](C)C(=O)OC ZINC000093027347 184643501 /nfs/dbraw/zinc/64/35/01/184643501.db2.gz QKNIBCPEKCYEBW-RYUDHWBXSA-N 1 0 265.353 2.120 10 0 CEAERO COCC[NH2+]C[C@H]1CCO[C@H]1c1cccc(OC)c1 ZINC000092882418 184633377 /nfs/dbraw/zinc/63/33/77/184633377.db2.gz HPBPPAMVIGGYBA-HIFRSBDPSA-N 1 0 265.353 2.009 10 0 CEAERO COCC[NH2+]C[C@H]1CCO[C@@H]1c1ccc(OC)cc1OC ZINC000092881814 184633814 /nfs/dbraw/zinc/63/38/14/184633814.db2.gz ROJIPXCKPDBHDA-WBMJQRKESA-N 1 0 295.379 2.017 10 0 CEAERO COC(=O)c1ccc(Cl)c(NC(=O)[C@H]2CC[NH2+][C@H]2C)c1 ZINC000092952426 184637307 /nfs/dbraw/zinc/63/73/07/184637307.db2.gz SXMNWOWUZRAQET-WPRPVWTQSA-N 1 0 296.754 2.063 10 0 CEAERO C[C@@H]1[NH2+]CC[C@H]1C(=O)N(Cc1ccco1)CC(F)(F)F ZINC000092953776 184637390 /nfs/dbraw/zinc/63/73/90/184637390.db2.gz OWYRHEZRBKVKBS-GXSJLCMTSA-N 1 0 290.285 2.169 10 0 CEAERO CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1CC[NH2+][C@H]1C ZINC000092954530 184637793 /nfs/dbraw/zinc/63/77/93/184637793.db2.gz JZFPWCKYTKILME-JQWIXIFHSA-N 1 0 282.334 2.311 10 0 CEAERO Cc1ccc(C2(Cc3ncnn3C(C)C)C[NH2+]C2)cc1 ZINC000093196017 184654639 /nfs/dbraw/zinc/65/46/39/184654639.db2.gz PGUUZERWPIYVDN-UHFFFAOYSA-N 1 0 270.380 2.251 10 0 CEAERO CCC[C@H](C[NH3+])[C@H](O)c1cc(OC)cc(OC)c1 ZINC000093080772 184647038 /nfs/dbraw/zinc/64/70/38/184647038.db2.gz IKDKLOANALTXLA-YGRLFVJLSA-N 1 0 253.342 2.112 10 0 CEAERO CCOc1ccc(N[C@H]2CC[C@H]([NH3+])C2)cc1OC ZINC000093206679 184655789 /nfs/dbraw/zinc/65/57/89/184655789.db2.gz BZRLUKADWYDMDM-QWRGUYRKSA-N 1 0 250.342 2.386 10 0 CEAERO COCC[NH2+]C[C@H](CCOC)c1ccc(C)cc1 ZINC000093137976 184651273 /nfs/dbraw/zinc/65/12/73/184651273.db2.gz UCTBGKWHQDXPDC-HNNXBMFYSA-N 1 0 251.370 2.351 10 0 CEAERO Cc1nc(-c2cccc(N[C@@H]3CCC[C@H]([NH3+])C3)c2)n[nH]1 ZINC000093214993 184656358 /nfs/dbraw/zinc/65/63/58/184656358.db2.gz BGVTZCLRRLKLIT-GXTWGEPZSA-N 1 0 271.368 2.462 10 0 CEAERO C[C@H](NC(=O)COCC[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000093230731 184657435 /nfs/dbraw/zinc/65/74/35/184657435.db2.gz WMPDPWGBHMUAMM-LBPRGKRZSA-N 1 0 278.396 2.137 10 0 CEAERO O=C1C[C@@]2(CN1)CCC[N@@H+](C[C@@H]1CCCC1(F)F)C2 ZINC000334624658 296346539 /nfs/dbraw/zinc/34/65/39/296346539.db2.gz XUJPOFAEOKMKPA-WCQYABFASA-N 1 0 272.339 2.024 10 0 CEAERO C[C@](O)(C[N@@H+]1CCO[C@@H](C2CC2)C1)c1ccccc1 ZINC000368796963 220288930 /nfs/dbraw/zinc/28/89/30/220288930.db2.gz ACPFYQVSUMBACM-CVEARBPZSA-N 1 0 261.365 2.005 10 0 CEAERO C[C@@](O)(C[N@@H+]1CCO[C@H](C2CC2)C1)c1ccccc1 ZINC000368796970 220289255 /nfs/dbraw/zinc/28/92/55/220289255.db2.gz ACPFYQVSUMBACM-JKSUJKDBSA-N 1 0 261.365 2.005 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC2(C)CCCCC2)C1 ZINC000116535540 285231245 /nfs/dbraw/zinc/23/12/45/285231245.db2.gz GGHHFUHECZFAGI-CYBMUJFWSA-N 1 0 267.417 2.493 10 0 CEAERO COc1ccc(C(N)=O)cc1N[C@@H](C)C[C@H]1CCCC[NH2+]1 ZINC000093485700 184682751 /nfs/dbraw/zinc/68/27/51/184682751.db2.gz VCGPZZDIZAUDQF-WCQYABFASA-N 1 0 291.395 2.127 10 0 CEAERO COc1ccc([C@H]2CNC(=[NH2+])N2C2CCCC2)c(OC)c1 ZINC000093391359 184670428 /nfs/dbraw/zinc/67/04/28/184670428.db2.gz QFRDMPOSSRIKCP-CQSZACIVSA-N 1 0 289.379 2.318 10 0 CEAERO CCOc1ccc2nc([C@@H]3COC[C@@H]3[NH3+])sc2c1 ZINC000093421749 184673749 /nfs/dbraw/zinc/67/37/49/184673749.db2.gz ADKQQIUQZCNMGF-ZJUUUORDSA-N 1 0 264.350 2.136 10 0 CEAERO COc1ccc(N[C@H](C)C[C@@H]2CCC[NH2+]2)cc1OCCO ZINC000093464890 184678976 /nfs/dbraw/zinc/67/89/76/184678976.db2.gz RGMGXSUNGRNXJE-OLZOCXBDSA-N 1 0 294.395 2.009 10 0 CEAERO CCCS(=O)(=O)Cc1cc([C@H](C)[NH3+])ccc1OCC ZINC000081941118 177904508 /nfs/dbraw/zinc/90/45/08/177904508.db2.gz ACNJYMPAZIBLRV-NSHDSACASA-N 1 0 285.409 2.430 10 0 CEAERO CCC[C@@H]1CC[C@@H]([NH2+]C)[C@H](S(=O)(=O)CCC)C1 ZINC000081940162 177904349 /nfs/dbraw/zinc/90/43/49/177904349.db2.gz MRFRKKKQHUDBAL-JHJVBQTASA-N 1 0 261.431 2.368 10 0 CEAERO CC[C@H]1CC[C@H]([NH3+])[C@H](S(=O)(=O)c2cccc(OC)c2)C1 ZINC000081923460 177896751 /nfs/dbraw/zinc/89/67/51/177896751.db2.gz AEEZAKKYKYQBID-TUKIKUTGSA-N 1 0 297.420 2.375 10 0 CEAERO CC[NH2+][C@@H]1CCCC[C@H]1S(=O)(=O)c1cccc(OC)c1 ZINC000081923487 177896762 /nfs/dbraw/zinc/89/67/62/177896762.db2.gz GTPYWFHZLKHAII-HUUCEWRRSA-N 1 0 297.420 2.390 10 0 CEAERO C[NH2+][C@@H]1CCCC[C@H]1S(=O)(=O)c1ccccc1F ZINC000081922898 177896149 /nfs/dbraw/zinc/89/61/49/177896149.db2.gz IOQPNQVKIVEKIQ-DGCLKSJQSA-N 1 0 271.357 2.130 10 0 CEAERO CC[NH2+][C@@H]1CCC2(C[C@@H]1SCCCOC)OCCO2 ZINC000081887281 177878897 /nfs/dbraw/zinc/87/88/97/177878897.db2.gz HUEJHPMMLJZYQN-OLZOCXBDSA-N 1 0 289.441 2.030 10 0 CEAERO C[C@H](CS(C)(=O)=O)[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000081901677 177886257 /nfs/dbraw/zinc/88/62/57/177886257.db2.gz JERMIZSTSLJGPR-VXGBXAGGSA-N 1 0 281.421 2.259 10 0 CEAERO COC(=O)CCS[C@@H]1CCc2cc(OC)ccc2[C@H]1[NH3+] ZINC000081788960 177859318 /nfs/dbraw/zinc/85/93/18/177859318.db2.gz VGKQQDVLLDVZMU-UKRRQHHQSA-N 1 0 295.404 2.306 10 0 CEAERO C[NH2+][C@H]1c2ccccc2CC[C@H]1Sc1nncn1C ZINC000081867142 177867384 /nfs/dbraw/zinc/86/73/84/177867384.db2.gz PUWWQUJDJNLGNM-OLZOCXBDSA-N 1 0 274.393 2.183 10 0 CEAERO CC[NH2+][C@@H]1CCC(C)(C)C[C@H]1SCCS(C)(=O)=O ZINC000081768632 177856031 /nfs/dbraw/zinc/85/60/31/177856031.db2.gz UICWZJDXZPAKQH-VXGBXAGGSA-N 1 0 293.498 2.321 10 0 CEAERO CCC[C@H]1CC[C@@H]([NH2+]C)[C@H](SCCS(C)(=O)=O)C1 ZINC000081768422 177856035 /nfs/dbraw/zinc/85/60/35/177856035.db2.gz FTIUBUKGENXXTD-YNEHKIRRSA-N 1 0 293.498 2.321 10 0 CEAERO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CC1C[NH2+]C1 ZINC000081750042 177854137 /nfs/dbraw/zinc/85/41/37/177854137.db2.gz CPPMBXISMNVJLA-ZDUSSCGKSA-N 1 0 272.392 2.423 10 0 CEAERO [NH3+]Cc1cccc(N2CCC[C@@H]2c2ccncc2)n1 ZINC000081595354 177828591 /nfs/dbraw/zinc/82/85/91/177828591.db2.gz BLUWUYFCBMJGSK-CQSZACIVSA-N 1 0 254.337 2.277 10 0 CEAERO COC[C@@H]1CC[N@H+](CCNc2cccc(F)c2)C1 ZINC000081119096 177774886 /nfs/dbraw/zinc/77/48/86/177774886.db2.gz SUPPVQLDYFVJAQ-GFCCVEGCSA-N 1 0 252.333 2.206 10 0 CEAERO CC(C)[C@@H](C)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000081060697 177763607 /nfs/dbraw/zinc/76/36/07/177763607.db2.gz RIODLFMDLNXQMA-XUXIUFHCSA-N 1 0 252.402 2.315 10 0 CEAERO Brc1nc2c([nH]1)[C@H](c1ccccc1)[NH2+]CC2 ZINC000084197504 256746822 /nfs/dbraw/zinc/74/68/22/256746822.db2.gz LNEROWZSWKWODI-JTQLQIEISA-N 1 0 278.153 2.407 10 0 CEAERO COC(=O)[C@H](C[NH2+]CCc1ccncc1)c1ccccc1 ZINC000080968827 177743201 /nfs/dbraw/zinc/74/32/01/177743201.db2.gz NAZJZLRTDBCRPQ-MRXNPFEDSA-N 1 0 284.359 2.171 10 0 CEAERO CCN(c1nc([C@@H](C)[NH2+]C)cs1)[C@@H](C)COC ZINC000080805311 177709969 /nfs/dbraw/zinc/70/99/69/177709969.db2.gz HBIATVBWQUPWKF-VHSXEESVSA-N 1 0 257.403 2.285 10 0 CEAERO [NH3+]C[C@H](Cn1c2ccccc2oc1=O)c1ccccc1 ZINC000080783608 177706762 /nfs/dbraw/zinc/70/67/62/177706762.db2.gz ADFHJYUFJZJJGG-CYBMUJFWSA-N 1 0 268.316 2.337 10 0 CEAERO CCC[C@]1(C(=O)N[C@H](CC)c2nccs2)CC[NH2+]C1 ZINC000080269247 177633909 /nfs/dbraw/zinc/63/39/09/177633909.db2.gz TWMTYNBDAXNYBW-RISCZKNCSA-N 1 0 281.425 2.490 10 0 CEAERO COC(=O)[C@]1(NC(C)C)CC[C@H]([NH+]2CCC(C)CC2)C1 ZINC000093822805 184725754 /nfs/dbraw/zinc/72/57/54/184725754.db2.gz OJDDELCCWQIMHV-HOCLYGCPSA-N 1 0 282.428 2.181 10 0 CEAERO CCc1c(C)nn([C@@H]2CC[C@]([NH2+]C(C)C)(C(N)=O)C2)c1C ZINC000093833331 184730044 /nfs/dbraw/zinc/73/00/44/184730044.db2.gz GYARBMABAYHYCI-CZUORRHYSA-N 1 0 292.427 2.009 10 0 CEAERO C[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCN(C)c1ccccc1C ZINC000093592740 184694299 /nfs/dbraw/zinc/69/42/99/184694299.db2.gz YHVRDDQMALNYNJ-RHSMWYFYSA-N 1 0 289.423 2.065 10 0 CEAERO [NH3+][C@@]1(CO)CCC[C@H]1CCn1ccnc1-c1ccccc1 ZINC000093618875 184696606 /nfs/dbraw/zinc/69/66/06/184696606.db2.gz ZMBFWPSWFNIOFP-DOTOQJQBSA-N 1 0 285.391 2.430 10 0 CEAERO [NH3+]C[C@]1(O)CCC[C@H]1CCOc1ccccc1F ZINC000093628007 184698571 /nfs/dbraw/zinc/69/85/71/184698571.db2.gz WELORVPROIWCTK-SMDDNHRTSA-N 1 0 253.317 2.085 10 0 CEAERO Cc1c([C@H](C[NH3+])N(C)c2ccc(F)cc2)cnn1C ZINC000093650714 184702773 /nfs/dbraw/zinc/70/27/73/184702773.db2.gz SIGUYKADAKRBLT-AWEZNQCLSA-N 1 0 262.332 2.004 10 0 CEAERO Cc1c([C@H]2CC[NH2+][C@H]2Cc2ccccc2)cnn1C ZINC000093652202 184702963 /nfs/dbraw/zinc/70/29/63/184702963.db2.gz BLGFKCIXMPXQTB-ZBFHGGJFSA-N 1 0 255.365 2.417 10 0 CEAERO CCn1nc(C)c(Cl)c1C[C@@H]([NH2+]C)[C@H](C)OC ZINC000093690373 184707253 /nfs/dbraw/zinc/70/72/53/184707253.db2.gz HLJQCVOATWQMNA-VHSXEESVSA-N 1 0 259.781 2.030 10 0 CEAERO CCC(CC)n1ccc(C[C@H]([NH2+]C)[C@H](C)OC)n1 ZINC000093690157 184707539 /nfs/dbraw/zinc/70/75/39/184707539.db2.gz RPQLVNVZQJLVSK-FZMZJTMJSA-N 1 0 253.390 2.410 10 0 CEAERO C[NH2+][C@@H](C[C@H]1CCCN(S(C)(=O)=O)C1)CC(C)(C)C ZINC000093700322 184707956 /nfs/dbraw/zinc/70/79/56/184707956.db2.gz NHEFHZYCXAHCLS-OLZOCXBDSA-N 1 0 290.473 2.072 10 0 CEAERO CC[NH2+][C@@]1(CO)CCC[C@@H](Sc2cc(C)nn2C)C1 ZINC000093786220 184721909 /nfs/dbraw/zinc/72/19/09/184721909.db2.gz YXXFWTDHQDYOOP-OCCSQVGLSA-N 1 0 283.441 2.104 10 0 CEAERO C[NH2+][C@@]1(CO)CCC[C@@H](SCc2ccco2)C1 ZINC000093787068 184722655 /nfs/dbraw/zinc/72/26/55/184722655.db2.gz NLGSLXCWLYDELE-OLZOCXBDSA-N 1 0 255.383 2.406 10 0 CEAERO Cc1c(N)cccc1CN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000094457019 184803580 /nfs/dbraw/zinc/80/35/80/184803580.db2.gz FKBHFZBVCIIOGJ-SWLSCSKDSA-N 1 0 259.397 2.246 10 0 CEAERO Cc1cc(F)cc([C@H]2CC[NH2+][C@H](C(=O)N(C)C)C2)c1 ZINC000093978308 184748142 /nfs/dbraw/zinc/74/81/42/184748142.db2.gz XIGDYCXAEUYEGV-FZMZJTMJSA-N 1 0 264.344 2.058 10 0 CEAERO CC/C=C(/C)C(=O)N(CC1CC[NH2+]CC1)C1CC1 ZINC000094023517 184751233 /nfs/dbraw/zinc/75/12/33/184751233.db2.gz BFXHZKBGYQIUCP-QCDXTXTGSA-N 1 0 250.386 2.333 10 0 CEAERO CC[NH2+]CCc1c(C)nc(-c2ccc(F)cn2)nc1C ZINC000094050838 184752663 /nfs/dbraw/zinc/75/26/63/184752663.db2.gz SDEPWHIJBRQLSD-UHFFFAOYSA-N 1 0 274.343 2.447 10 0 CEAERO CC(C)C[NH2+]CC[C@@](C)(O)[C@@H]1CCc2cccnc21 ZINC000094140887 184755795 /nfs/dbraw/zinc/75/57/95/184755795.db2.gz HGOKVFOSZCOINK-GDBMZVCRSA-N 1 0 262.397 2.498 10 0 CEAERO CCn1ccnc1C[C@@H]([NH3+])Cc1cccc(OC)c1 ZINC000094145517 184756595 /nfs/dbraw/zinc/75/65/95/184756595.db2.gz JNSZBWQSPTWVIG-ZDUSSCGKSA-N 1 0 259.353 2.024 10 0 CEAERO Cn1c(C[C@H]([NH3+])Cc2ccccn2)nc2ccccc21 ZINC000094170676 184759250 /nfs/dbraw/zinc/75/92/50/184759250.db2.gz SOMVUUOUOGYIED-GFCCVEGCSA-N 1 0 266.348 2.081 10 0 CEAERO CC[C@](C)([NH3+])C(=O)N[C@@H](C)c1c(F)cccc1F ZINC000094234020 184767871 /nfs/dbraw/zinc/76/78/71/184767871.db2.gz VOYSRDWUMIEVFI-SDBXPKJASA-N 1 0 256.296 2.269 10 0 CEAERO CCC([NH3+])(CC)C(=O)N(Cc1cccc(O)c1)C1CC1 ZINC000094244823 184769607 /nfs/dbraw/zinc/76/96/07/184769607.db2.gz ZDKZAVNXRHXAMK-UHFFFAOYSA-N 1 0 276.380 2.401 10 0 CEAERO O[C@]1(Cc2nc(-c3ccccc3)cs2)CC[NH2+]C1 ZINC000094254169 184770305 /nfs/dbraw/zinc/77/03/05/184770305.db2.gz NHAMTBHZJFBDGW-AWEZNQCLSA-N 1 0 260.362 2.077 10 0 CEAERO CCOC(=O)CS[C@@H]1CCCC(C)(C)[C@H]1[NH2+]C ZINC000094283105 184775207 /nfs/dbraw/zinc/77/52/07/184775207.db2.gz HCJWLIULSCNIAN-PWSUYJOCSA-N 1 0 259.415 2.449 10 0 CEAERO [NH3+]C1(CC(=O)NC2CCC(C(F)(F)F)CC2)CCC1 ZINC000094294154 184777228 /nfs/dbraw/zinc/77/72/28/184777228.db2.gz HDZSMFJFOBIXCS-UHFFFAOYSA-N 1 0 278.318 2.495 10 0 CEAERO CC[NH2+][C@H]1[C@H](S(=O)(=O)CC(C)C)CCC1(C)C ZINC000094311158 184778887 /nfs/dbraw/zinc/77/88/87/184778887.db2.gz CHXQIYAIDCOEAZ-NEPJUHHUSA-N 1 0 261.431 2.224 10 0 CEAERO COc1cccc(C[C@]2(C[NH3+])CCC(C)(C)[C@@H]2O)c1 ZINC000094315054 184779773 /nfs/dbraw/zinc/77/97/73/184779773.db2.gz APOWQWIFFSTJRI-HOCLYGCPSA-N 1 0 263.381 2.364 10 0 CEAERO C[C@H]1C[C@@H]1CN(C)c1nc(C(F)(F)F)ccc1C(N)=[NH2+] ZINC000094336759 184783105 /nfs/dbraw/zinc/78/31/05/184783105.db2.gz CMYOGCLPAXYQTQ-JGVFFNPUSA-N 1 0 286.301 2.477 10 0 CEAERO CC(C)n1ncnc1COc1c(F)cc(CC[NH3+])cc1F ZINC000094349773 184787048 /nfs/dbraw/zinc/78/70/48/184787048.db2.gz KUYGWSISADBCEZ-UHFFFAOYSA-N 1 0 296.321 2.217 10 0 CEAERO Cc1nccc(C[NH2+][C@H]2CCOC3(CCCC3)C2)n1 ZINC000094368643 184790151 /nfs/dbraw/zinc/79/01/51/184790151.db2.gz NTFLTSDMMVFUIZ-ZDUSSCGKSA-N 1 0 261.369 2.366 10 0 CEAERO COc1cc(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)ccn1 ZINC000094372419 184790913 /nfs/dbraw/zinc/79/09/13/184790913.db2.gz CBJNVDDGQZULDO-ZFWWWQNUSA-N 1 0 294.420 2.235 10 0 CEAERO C[C@@H]1CCC[C@](O)(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)C1 ZINC000094374166 184790981 /nfs/dbraw/zinc/79/09/81/184790981.db2.gz WYJCJCCEMIZCKW-BZUAXINKSA-N 1 0 297.439 2.245 10 0 CEAERO C1CC(O[C@H]2CCOC3(CCSCC3)C2)CC[NH2+]1 ZINC000094380768 184791558 /nfs/dbraw/zinc/79/15/58/184791558.db2.gz CRWKAANAAZADLR-ZDUSSCGKSA-N 1 0 271.426 2.200 10 0 CEAERO CCSC[C@@H]([NH2+]C)[C@H]1CCOC2(CCOCC2)C1 ZINC000094404046 184793419 /nfs/dbraw/zinc/79/34/19/184793419.db2.gz SAXXNXPTKAPASI-QWHCGFSZSA-N 1 0 273.442 2.303 10 0 CEAERO C[NH2+][C@@H](C1CCC1)[C@@H]1CCOC2(CCOCC2)C1 ZINC000094403795 184793594 /nfs/dbraw/zinc/79/35/94/184793594.db2.gz PWOUTOQPRRSBHU-KGLIPLIRSA-N 1 0 253.386 2.350 10 0 CEAERO O[C@H](C[NH2+]C1CC1)[C@H]1CCOC2(CCCCC2)C1 ZINC000094418491 184794951 /nfs/dbraw/zinc/79/49/51/184794951.db2.gz WKKFDUVNIRIOTC-GXTWGEPZSA-N 1 0 253.386 2.229 10 0 CEAERO CC(C)[NH2+]C[C@@H](O)[C@@H]1CCOC2(CCCCC2)C1 ZINC000094418467 184795020 /nfs/dbraw/zinc/79/50/20/184795020.db2.gz KEDGIDVLPLNHLK-ZIAGYGMSSA-N 1 0 255.402 2.475 10 0 CEAERO CCC[NH2+]C1CC(c2ccc(S(C)(=O)=O)cc2)C1 ZINC000094725062 184847509 /nfs/dbraw/zinc/84/75/09/184847509.db2.gz HONBYBBGBIFWMT-UHFFFAOYSA-N 1 0 267.394 2.336 10 0 CEAERO COC(=O)c1ccc(CNCC[NH+](C(C)C)C(C)C)nc1 ZINC000094759186 184855105 /nfs/dbraw/zinc/85/51/05/184855105.db2.gz CRCITGQPMXPVEQ-UHFFFAOYSA-N 1 0 293.411 2.077 10 0 CEAERO CC[C@H]1CC(=O)N(Cc2cc(C[NH3+])ccc2F)C1 ZINC000094793280 184865680 /nfs/dbraw/zinc/86/56/80/184865680.db2.gz KBMCUBIZHPJWCQ-JTQLQIEISA-N 1 0 250.317 2.043 10 0 CEAERO C[C@@H]1C[C@]2(CNC(=[NH2+])N2c2ccccc2F)CS1 ZINC000094475259 184808221 /nfs/dbraw/zinc/80/82/21/184808221.db2.gz XPCBHRHNIYABPB-RNCFNFMXSA-N 1 0 265.357 2.225 10 0 CEAERO C[C@@H]1SCCC[C@@]12C[NH+]=C(N)N2Cc1ccccc1 ZINC000094481337 184808901 /nfs/dbraw/zinc/80/89/01/184808901.db2.gz WSMBBXJMRNWYQF-SWLSCSKDSA-N 1 0 275.421 2.471 10 0 CEAERO C[C@@H]1CN([C@@H](C[NH3+])c2cccc(C3CC3)c2)CCO1 ZINC000094520441 184813600 /nfs/dbraw/zinc/81/36/00/184813600.db2.gz KZHDNESWWUMWFG-WBMJQRKESA-N 1 0 260.381 2.285 10 0 CEAERO [NH3+]C[C@H](Cc1cccc(C2CC2)c1)C(=O)N1CCCC1 ZINC000094522363 184813717 /nfs/dbraw/zinc/81/37/17/184813717.db2.gz FDLIFUOFCDLZAH-INIZCTEOSA-N 1 0 272.392 2.304 10 0 CEAERO C[C@@H]1C[C@H]([NH3+])CN(C(=O)Cc2ccccc2Cl)C1 ZINC000094548634 184815716 /nfs/dbraw/zinc/81/57/16/184815716.db2.gz MFSLJNRVQBKRDC-PWSUYJOCSA-N 1 0 266.772 2.078 10 0 CEAERO C[C@H]1C[C@H]([NH3+])CN(C(=O)c2ccccc2Br)C1 ZINC000094549779 184816567 /nfs/dbraw/zinc/81/65/67/184816567.db2.gz ORXJNZMWPGTHCB-UWVGGRQHSA-N 1 0 297.196 2.258 10 0 CEAERO [NH3+]C[C@@H]1CC[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)O1 ZINC000094562986 184818519 /nfs/dbraw/zinc/81/85/19/184818519.db2.gz JYLXMGSIKVHYHK-KWQFWETISA-N 1 0 289.162 2.438 10 0 CEAERO Cc1ccc(C[C@H]([NH3+])[C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000094642079 184831934 /nfs/dbraw/zinc/83/19/34/184831934.db2.gz QYMVQAUTGUTCCG-PMPSAXMXSA-N 1 0 295.448 2.468 10 0 CEAERO CC[C@H](C)SC[C@H]([NH3+])[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094642520 184832337 /nfs/dbraw/zinc/83/23/37/184832337.db2.gz PKGKTFHXLJQXPD-RNJOBUHISA-N 1 0 293.498 2.449 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CCC[NH2+][C@@H]1C)c1ccccc1F ZINC000094647612 184833732 /nfs/dbraw/zinc/83/37/32/184833732.db2.gz UNYGYAKNUSYZBM-NTZNESFSSA-N 1 0 264.344 2.391 10 0 CEAERO COC(=O)c1cc(NCC(C)(C)[NH+](C)C)cc(C)c1N ZINC000094695052 184840558 /nfs/dbraw/zinc/84/05/58/184840558.db2.gz SAMAATRULZLGHX-UHFFFAOYSA-N 1 0 279.384 2.116 10 0 CEAERO COCc1ccccc1NC(=O)[C@@H](C[NH3+])CC(C)C ZINC000094697494 184842116 /nfs/dbraw/zinc/84/21/16/184842116.db2.gz YPACFRUKRDKBEK-CYBMUJFWSA-N 1 0 264.369 2.393 10 0 CEAERO CC(C)C[C@@H](C[NH3+])C(=O)N[C@H](C)Cc1ccsc1 ZINC000094699726 184842278 /nfs/dbraw/zinc/84/22/78/184842278.db2.gz XDGRHJMDEFNEGF-YPMHNXCESA-N 1 0 268.426 2.416 10 0 CEAERO CC(C)C[C@H](C[NH3+])C(=O)NCc1cc2c(s1)CCC2 ZINC000094699368 184842810 /nfs/dbraw/zinc/84/28/10/184842810.db2.gz IUNNARGTURRAOF-GFCCVEGCSA-N 1 0 280.437 2.474 10 0 CEAERO CC[NH2+][C@H](c1cc(F)c(C)cc1F)[C@@H]1COCCO1 ZINC000094707866 184845206 /nfs/dbraw/zinc/84/52/06/184845206.db2.gz PKLMACXHWDTRLV-UONOGXRCSA-N 1 0 271.307 2.339 10 0 CEAERO CN(CC[C@@H]1CCCC[NH2+]1)C(=O)Cc1cccc(F)c1F ZINC000094712153 184846054 /nfs/dbraw/zinc/84/60/54/184846054.db2.gz FRBLOOQYSDABHN-ZDUSSCGKSA-N 1 0 296.361 2.498 10 0 CEAERO CCOc1ccc(NC(=O)CC2([NH3+])CCCC2)cn1 ZINC000094988832 184910841 /nfs/dbraw/zinc/91/08/41/184910841.db2.gz OCZONFSHBWMZGB-UHFFFAOYSA-N 1 0 263.341 2.080 10 0 CEAERO Fc1cccc(F)c1Cc1nc(C[C@@H]2CCC[NH2+]C2)no1 ZINC000095058914 184927656 /nfs/dbraw/zinc/92/76/56/184927656.db2.gz DALKCMIQZKRXFG-JTQLQIEISA-N 1 0 293.317 2.481 10 0 CEAERO CC(C)CN(CCC[NH3+])C(=O)Cc1ccc(F)cc1F ZINC000095066039 184929658 /nfs/dbraw/zinc/92/96/58/184929658.db2.gz RBUDMYSINWVIJI-UHFFFAOYSA-N 1 0 284.350 2.341 10 0 CEAERO CN(c1nc2ccccc2nc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000095070525 184932055 /nfs/dbraw/zinc/93/20/55/184932055.db2.gz WPJOSOTVUGREFA-SNVBAGLBSA-N 1 0 276.771 2.471 10 0 CEAERO [NH3+][C@@H]1CCOC[C@@H]1Cc1ccc(Br)cc1 ZINC000095077446 184935980 /nfs/dbraw/zinc/93/59/80/184935980.db2.gz HLMQHRGQRRTJRT-CMPLNLGQSA-N 1 0 270.170 2.355 10 0 CEAERO Cc1cscc1C[NH2+][C@H]1CCC[C@@H]1S(C)(=O)=O ZINC000094877827 184886494 /nfs/dbraw/zinc/88/64/94/184886494.db2.gz YCAUSIFBGBJGGR-RYUDHWBXSA-N 1 0 273.423 2.112 10 0 CEAERO C[C@@H]1CCC[C@](C[NH3+])(N(C)C(=O)NC2CCCC2)C1 ZINC000094890241 184888502 /nfs/dbraw/zinc/88/85/02/184888502.db2.gz GYBCGMMWNQZAMP-DOMZBBRYSA-N 1 0 267.417 2.478 10 0 CEAERO CC(C)Cc1ccc([C@@H](O)[C@@]2(C[NH3+])CCOC2)cc1 ZINC000094905021 184890462 /nfs/dbraw/zinc/89/04/62/184890462.db2.gz LZEWRTZDMDTUTB-HZPDHXFCSA-N 1 0 263.381 2.284 10 0 CEAERO CCC[NH2+][C@@H]1CCOC[C@@H]1N(CC)Cc1ccccn1 ZINC000094913019 184891962 /nfs/dbraw/zinc/89/19/62/184891962.db2.gz HFYYFUQUVNQIHL-CVEARBPZSA-N 1 0 277.412 2.061 10 0 CEAERO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(C)cc1NC ZINC000094922399 184894125 /nfs/dbraw/zinc/89/41/25/184894125.db2.gz ZCWVRMGZLLAENF-CYBMUJFWSA-N 1 0 277.412 2.497 10 0 CEAERO CCC[NH2+][C@@H]1CCCC[C@H]1c1nc(-c2ncc[nH]2)no1 ZINC000094940714 184896964 /nfs/dbraw/zinc/89/69/64/184896964.db2.gz NGOFAIDJWCNDJC-GHMZBOCLSA-N 1 0 275.356 2.486 10 0 CEAERO CC[C@H](CC[NH3+])CNC(=O)Nc1cccc(F)c1 ZINC000094962223 184906127 /nfs/dbraw/zinc/90/61/27/184906127.db2.gz LKSMFVVFTFTMCC-SNVBAGLBSA-N 1 0 253.321 2.322 10 0 CEAERO CC[C@H](CC[NH3+])CNC(=O)c1ccc(F)cc1F ZINC000094961918 184906202 /nfs/dbraw/zinc/90/62/02/184906202.db2.gz QYRHUHHSIDFPRE-SECBINFHSA-N 1 0 256.296 2.070 10 0 CEAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1csc(Cl)c1 ZINC000191353516 130224897 /nfs/dbraw/zinc/22/48/97/130224897.db2.gz XAENHSOLVZHJMG-GXSJLCMTSA-N 1 0 274.817 2.383 10 0 CEAERO Cn1ccc(C[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000230167363 130894003 /nfs/dbraw/zinc/89/40/03/130894003.db2.gz PITQDTZAAUTEAR-CQSZACIVSA-N 1 0 293.411 2.372 10 0 CEAERO C[C@@H](CN1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000247208882 131101722 /nfs/dbraw/zinc/10/17/22/131101722.db2.gz UKYCYRTUDCTWPL-HOCLYGCPSA-N 1 0 262.397 2.053 10 0 CEAERO C[S@](=O)Cc1cccc(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000262283049 131208621 /nfs/dbraw/zinc/20/86/21/131208621.db2.gz LNLWHULMENNDTI-IZDJOXEWSA-N 1 0 294.420 2.021 10 0 CEAERO C[C@@H]1CC[C@@](C[NH3+])(N2CCN(C)c3ccccc32)C1 ZINC000080483686 134494748 /nfs/dbraw/zinc/49/47/48/134494748.db2.gz NREGYGNORNQBJD-CZUORRHYSA-N 1 0 259.397 2.460 10 0 CEAERO CC[NH2+][C@H](C)[C@@H]1CCCCN1c1nnc(CC)c(CC)n1 ZINC000097836368 134513675 /nfs/dbraw/zinc/51/36/75/134513675.db2.gz FTNWLRKEXSAOAC-DOMZBBRYSA-N 1 0 291.443 2.353 10 0 CEAERO CCCO[C@H]1CCCN(c2ccc(C(N)=[NH2+])cc2)C1 ZINC000042422619 134890225 /nfs/dbraw/zinc/89/02/25/134890225.db2.gz APMTUVZWTFTMRH-AWEZNQCLSA-N 1 0 261.369 2.366 10 0 CEAERO CC[C@@](C[NH3+])(C1CC1)N1CCN(c2ccccc2F)CC1 ZINC000086120185 135038812 /nfs/dbraw/zinc/03/88/12/135038812.db2.gz IZPWQTIWWSLQKV-QGZVFWFLSA-N 1 0 291.414 2.465 10 0 CEAERO CCC[C@H]1CN(c2cc(OC)ccc2OC)CC[NH2+]1 ZINC000086123197 135039469 /nfs/dbraw/zinc/03/94/69/135039469.db2.gz ZXCDDLMJLKSLBI-LBPRGKRZSA-N 1 0 264.369 2.282 10 0 CEAERO Cc1ccncc1N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC000086149241 135039474 /nfs/dbraw/zinc/03/94/74/135039474.db2.gz HZQJIAFMTBSEEJ-INIZCTEOSA-N 1 0 267.376 2.411 10 0 CEAERO CC[NH2+][C@@H](C)[C@@H]1CCCCN1c1nc(C)cnc1C ZINC000088057508 135052332 /nfs/dbraw/zinc/05/23/32/135052332.db2.gz ZKFOZWNONWGCNU-JSGCOSHPSA-N 1 0 262.401 2.450 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@@H]1Nc1ccccc1N1CCOCC1 ZINC000089142847 135058146 /nfs/dbraw/zinc/05/81/46/135058146.db2.gz HBVJDPYOLUOMFI-CABCVRRESA-N 1 0 289.423 2.453 10 0 CEAERO C[C@@H]1Cc2ccccc2N([C@@H](C[NH3+])c2cncn2C)C1 ZINC000090167971 135062118 /nfs/dbraw/zinc/06/21/18/135062118.db2.gz NULNSZLIYDGQSU-DOMZBBRYSA-N 1 0 270.380 2.119 10 0 CEAERO C[NH2+]CC[C@H]1CCCCN1c1ncncc1Br ZINC000090781764 135064664 /nfs/dbraw/zinc/06/46/64/135064664.db2.gz RYUWEMRCYOUCRI-SNVBAGLBSA-N 1 0 299.216 2.208 10 0 CEAERO CCC[NH2+]C[C@H]1CCCN(c2cc(OCCC)ncn2)C1 ZINC000090785467 135064882 /nfs/dbraw/zinc/06/48/82/135064882.db2.gz WLCUTDJDLKAWCV-CQSZACIVSA-N 1 0 292.427 2.481 10 0 CEAERO CCOc1cc(N2CCCC[C@H]2C[NH2+]C2CC2)nc(C)n1 ZINC000090788149 135065687 /nfs/dbraw/zinc/06/56/87/135065687.db2.gz KFWHPTQQWRIRCJ-AWEZNQCLSA-N 1 0 290.411 2.295 10 0 CEAERO NC(=[NH2+])c1ccc(N2C[C@H]3CC[C@@H](C2)O3)cc1C(F)(F)F ZINC000090906301 135065792 /nfs/dbraw/zinc/06/57/92/135065792.db2.gz WZBHACIVLUUYLU-AOOOYVTPSA-N 1 0 299.296 2.357 10 0 CEAERO CCC[NH2+]Cc1cncc(N2CCO[C@@H]3CCCC[C@@H]32)n1 ZINC000091420828 135069329 /nfs/dbraw/zinc/06/93/29/135069329.db2.gz VMTKUHSTCZSKEP-LSDHHAIUSA-N 1 0 290.411 2.124 10 0 CEAERO CC1(C)CCN(c2cncc(C[NH2+]C3CC3)n2)CC1 ZINC000091421223 135069496 /nfs/dbraw/zinc/06/94/96/135069496.db2.gz DQSYVCFVQKGDQI-UHFFFAOYSA-N 1 0 260.385 2.355 10 0 CEAERO Cc1cccc2c1N(C(=O)[C@H]1C=C[C@@H]([NH3+])C1)CCC2 ZINC000092206765 135075635 /nfs/dbraw/zinc/07/56/35/135075635.db2.gz NYLKDJWFFWRJPE-UONOGXRCSA-N 1 0 256.349 2.178 10 0 CEAERO [NH3+][C@H]1CC[C@H](N2CCN(c3ccccc3Cl)CC2)C1 ZINC000093221045 135079671 /nfs/dbraw/zinc/07/96/71/135079671.db2.gz GWYNLDIHVTWIRB-STQMWFEESA-N 1 0 279.815 2.342 10 0 CEAERO Cc1cccc(N2CC[NH+]([C@H]3CC[C@H](O)C3)CC2)c1C ZINC000093798450 135082838 /nfs/dbraw/zinc/08/28/38/135082838.db2.gz FANYMYKBKNANFU-HOTGVXAUSA-N 1 0 274.408 2.339 10 0 CEAERO C[NH2+]C[C@@H]1CCCCN1c1ncc(Cl)cc1F ZINC000094052525 135083359 /nfs/dbraw/zinc/08/33/59/135083359.db2.gz OAKSNOOMDSCAEN-JTQLQIEISA-N 1 0 257.740 2.452 10 0 CEAERO [NH3+]C1(CCN2CCN(c3ccccc3F)CC2)CCC1 ZINC000094295838 135086109 /nfs/dbraw/zinc/08/61/09/135086109.db2.gz JMLCPTOJXXKYHH-UHFFFAOYSA-N 1 0 277.387 2.219 10 0 CEAERO CCc1ncsc1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1CC ZINC000246260532 394512938 /nfs/dbraw/zinc/51/29/38/394512938.db2.gz LBCXFYQUENCEKF-NEPJUHHUSA-N 1 0 293.436 2.404 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc2[nH]ccc21 ZINC000245422333 394498960 /nfs/dbraw/zinc/49/89/60/394498960.db2.gz PKNNYBPZJQBEPT-OLZOCXBDSA-N 1 0 283.375 2.477 10 0 CEAERO CC(C)N1C[C@@H](c2ccccc2)[C@]2(CCC[NH2+]C2)C1=O ZINC000044137299 394505591 /nfs/dbraw/zinc/50/55/91/394505591.db2.gz ANBVRIIDNHGRHX-DOTOQJQBSA-N 1 0 272.392 2.391 10 0 CEAERO C[C@@H](NC(N)=[NH2+])c1c(F)cccc1Br ZINC000306657870 394517136 /nfs/dbraw/zinc/51/71/36/394517136.db2.gz NGLUQLNHWZMRSU-RXMQYKEDSA-N 1 0 260.110 2.132 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(C)c1O ZINC000246645646 394519541 /nfs/dbraw/zinc/51/95/41/394519541.db2.gz WDXRJKYPNNURQR-KGLIPLIRSA-N 1 0 288.391 2.399 10 0 CEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCC2(C(C)C)CC2)C1 ZINC000247506290 394531933 /nfs/dbraw/zinc/53/19/33/394531933.db2.gz YAPFWCWFWUAYIH-UONOGXRCSA-N 1 0 281.444 2.451 10 0 CEAERO Cc1cccc([C@@H](C)NC[C@H](O)C[N@H+](C)C2CC2)c1 ZINC000312117226 394539327 /nfs/dbraw/zinc/53/93/27/394539327.db2.gz RCEOXQCWTVLBKJ-CJNGLKHVSA-N 1 0 262.397 2.101 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(C)cn1 ZINC000248456002 394541178 /nfs/dbraw/zinc/54/11/78/394541178.db2.gz MZUFDBGHBQDIOO-KGLIPLIRSA-N 1 0 288.395 2.481 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1C(=O)[C@@H]1Cc2ccccc2S1 ZINC000092231875 394660235 /nfs/dbraw/zinc/66/02/35/394660235.db2.gz XERWDAUEPJREKY-JSGCOSHPSA-N 1 0 276.405 2.043 10 0 CEAERO Cc1cc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)ncc1Br ZINC000261547676 394601664 /nfs/dbraw/zinc/60/16/64/394601664.db2.gz IMHSRBSSPKOCOQ-JQWIXIFHSA-N 1 0 296.212 2.341 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(c3ncc(Cl)cc3F)C[C@@H]12 ZINC000261555286 394602021 /nfs/dbraw/zinc/60/20/21/394602021.db2.gz PSYNGWRVTVCTKQ-BCMRRPTOSA-N 1 0 255.724 2.048 10 0 CEAERO [NH3+]C[C@H]1CCCCN1c1cncc(Br)c1 ZINC000261531280 394602166 /nfs/dbraw/zinc/60/21/66/394602166.db2.gz FZDFCDNAEOWRCP-SNVBAGLBSA-N 1 0 270.174 2.162 10 0 CEAERO FC(F)(F)c1cccnc1N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261584708 394603291 /nfs/dbraw/zinc/60/32/91/394603291.db2.gz HYMFPCGFJVXASE-GFCCVEGCSA-N 1 0 271.286 2.290 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(C)nc1 ZINC000094449647 394671197 /nfs/dbraw/zinc/67/11/97/394671197.db2.gz KNMLEZRLFVMXJB-HZPDHXFCSA-N 1 0 259.397 2.449 10 0 CEAERO C[C@H]1CC(CC[N@H+](C)CC(=O)N(C)C)C[C@H](C)C1 ZINC000089101233 394646743 /nfs/dbraw/zinc/64/67/43/394646743.db2.gz QHDXSUOSYJTKQW-CHWSQXEVSA-N 1 0 254.418 2.469 10 0 CEAERO CCOc1ccccc1[C@H](C)[NH2+]CCn1cncn1 ZINC000268857896 394701211 /nfs/dbraw/zinc/70/12/11/394701211.db2.gz UYCZRDUMBSQIID-LBPRGKRZSA-N 1 0 260.341 2.028 10 0 CEAERO CCOc1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000113223541 394746821 /nfs/dbraw/zinc/74/68/21/394746821.db2.gz DUDKUADOVMDLKW-DZGCQCFKSA-N 1 0 288.391 2.394 10 0 CEAERO CCC[N@H+](CC(=O)OC(C)(C)C)C[C@](C)(O)CC ZINC000119495063 394768835 /nfs/dbraw/zinc/76/88/35/394768835.db2.gz KQKQSHANEZQALA-CQSZACIVSA-N 1 0 259.390 2.201 10 0 CEAERO COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)C1CCCC1 ZINC000125368016 394842533 /nfs/dbraw/zinc/84/25/33/394842533.db2.gz FFKIEHDDKCLMLO-AAEUAGOBSA-N 1 0 278.400 2.428 10 0 CEAERO CC[C@@H](SC)C(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000131491055 394912494 /nfs/dbraw/zinc/91/24/94/394912494.db2.gz HVCCXVWGRZIBQM-VXGBXAGGSA-N 1 0 258.431 2.071 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc(Cl)o2)[C@@H](C)C1 ZINC000155530622 395028172 /nfs/dbraw/zinc/02/81/72/395028172.db2.gz AWJYOJNWVYMNHI-UWVGGRQHSA-N 1 0 270.760 2.392 10 0 CEAERO C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000155051913 395025560 /nfs/dbraw/zinc/02/55/60/395025560.db2.gz WSEAWEGGFAJTAE-HOCLYGCPSA-N 1 0 294.439 2.278 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)CCSc1ccc(F)cc1 ZINC000423649887 394962647 /nfs/dbraw/zinc/96/26/47/394962647.db2.gz TVEPQPPSQHRBQE-GXFFZTMASA-N 1 0 282.384 2.256 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C)C2CCCC2)C1 ZINC000172224124 395101515 /nfs/dbraw/zinc/10/15/15/395101515.db2.gz DKSGKUZFHIURLZ-GXTWGEPZSA-N 1 0 267.417 2.349 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)NC(C2CC2)C2CC2)[C@@H](C)C1 ZINC000156940087 395033903 /nfs/dbraw/zinc/03/39/03/395033903.db2.gz KQDMAIGIWXWTJY-FZMZJTMJSA-N 1 0 279.428 2.203 10 0 CEAERO CC(C)COc1cccc(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000423954763 395033978 /nfs/dbraw/zinc/03/39/78/395033978.db2.gz OIZILGFKIGENSH-SWLSCSKDSA-N 1 0 276.380 2.141 10 0 CEAERO C[NH+](C)CCCNC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000158223056 395041801 /nfs/dbraw/zinc/04/18/01/395041801.db2.gz NTSYXFRBHUKXRU-KBPBESRZSA-N 1 0 252.402 2.271 10 0 CEAERO C[C@H]1CC[C@H](NC(=O)C[NH2+]C2CC2)c2ccccc21 ZINC000182712251 395247042 /nfs/dbraw/zinc/24/70/42/395247042.db2.gz XHRCNFATMMDARH-NHYWBVRUSA-N 1 0 258.365 2.493 10 0 CEAERO CCCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000181340387 395213356 /nfs/dbraw/zinc/21/33/56/395213356.db2.gz SKFHWQVPHQEOTK-NSHDSACASA-N 1 0 295.358 2.021 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccncc1F ZINC000184163521 395270660 /nfs/dbraw/zinc/27/06/60/395270660.db2.gz YVWTXENADTUWPK-NSHDSACASA-N 1 0 280.347 2.169 10 0 CEAERO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1nnc(C2CC2)n1C ZINC000191370336 395357186 /nfs/dbraw/zinc/35/71/86/395357186.db2.gz VRGBLINZIAJFIR-QWHCGFSZSA-N 1 0 292.427 2.376 10 0 CEAERO CC[N@@H+]1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000195261173 395463202 /nfs/dbraw/zinc/46/32/02/395463202.db2.gz IWNBULXPQGVTQM-GFCCVEGCSA-N 1 0 253.415 2.225 10 0 CEAERO Cc1cc(F)c(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)cc1F ZINC000193482767 395409978 /nfs/dbraw/zinc/40/99/78/395409978.db2.gz QXLQPCDQDVFMFP-TVQRCGJNSA-N 1 0 268.307 2.144 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)CCc2ccsc2)C1 ZINC000194635164 395444823 /nfs/dbraw/zinc/44/48/23/395444823.db2.gz OYMQHNHCUJKWKU-CYBMUJFWSA-N 1 0 266.410 2.281 10 0 CEAERO CC[C@H]1C[N@H+](Cc2ccnn2-c2ccccn2)CCCO1 ZINC000648031496 395812747 /nfs/dbraw/zinc/81/27/47/395812747.db2.gz UBQDRISPKVSUKN-HNNXBMFYSA-N 1 0 286.379 2.268 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCC[C@H]1C1CCC1 ZINC000648051143 395820030 /nfs/dbraw/zinc/82/00/30/395820030.db2.gz ZUCVPNXMYPTSIN-MJBXVCDLSA-N 1 0 250.386 2.153 10 0 CEAERO CC[C@@H]([NH3+])Cc1cnn(Cc2ccc(F)cc2F)c1 ZINC000054741610 522644564 /nfs/dbraw/zinc/64/45/64/522644564.db2.gz ZVKBUOJNSRVLTM-CYBMUJFWSA-N 1 0 265.307 2.489 10 0 CEAERO COCc1nc(C[NH2+]C[C@@H]2C[C@H]2C2CC2)cs1 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CC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccccc1Br ZINC000037014596 400115234 /nfs/dbraw/zinc/11/52/34/400115234.db2.gz XLFDAXHPKKRAHK-GZMMTYOYSA-N 1 0 285.185 2.364 10 0 CEAERO CCS(=O)(=O)c1ccc(NC[C@H]2CCCC[NH2+]2)cc1 ZINC000044493554 400145694 /nfs/dbraw/zinc/14/56/94/400145694.db2.gz PYEPJOOTLHCGOF-CYBMUJFWSA-N 1 0 282.409 2.034 10 0 CEAERO Cc1nc(N[C@@H]2CCC[NH2+]C2)cc(-c2cccnc2)n1 ZINC000045955221 400161748 /nfs/dbraw/zinc/16/17/48/400161748.db2.gz SMWMGYVPLDLNIE-CYBMUJFWSA-N 1 0 269.352 2.011 10 0 CEAERO Brc1cncc(NC[C@H]2CCCC[NH2+]2)c1 ZINC000300883836 400330580 /nfs/dbraw/zinc/33/05/80/400330580.db2.gz SIVWYIXHPMCKSE-SNVBAGLBSA-N 1 0 270.174 2.398 10 0 CEAERO C[C@H]1[C@@H](Nc2nn(C)cc2N)CC[N@@H+]1Cc1ccccc1 ZINC000307727989 400340068 /nfs/dbraw/zinc/34/00/68/400340068.db2.gz FOSLSZCGZQFPKU-WFASDCNBSA-N 1 0 285.395 2.077 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@H]1CC12CCCCC2 ZINC000387287516 400530706 /nfs/dbraw/zinc/53/07/06/400530706.db2.gz NRGALLSQYJIDEN-AVGNSLFASA-N 1 0 250.386 2.200 10 0 CEAERO C[C@H](Cc1ccsc1)NC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000395277038 400555192 /nfs/dbraw/zinc/55/51/92/400555192.db2.gz QZWNRWIEZQVGLN-WZRBSPASSA-N 1 0 266.410 2.183 10 0 CEAERO C[C@@H](NC(=O)[C@H]([NH3+])C1CCC1)c1cc(F)ccc1F ZINC000398972699 400562932 /nfs/dbraw/zinc/56/29/32/400562932.db2.gz XGVIHSRPUOZJKQ-AMIZOPFISA-N 1 0 268.307 2.269 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000170832284 292193051 /nfs/dbraw/zinc/19/30/51/292193051.db2.gz BBEPQHYPXJJVAW-UKRRQHHQSA-N 1 0 275.396 2.402 10 0 CEAERO CO[C@]1(C)C[C@H](N(C)C(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1(C)C ZINC000262336242 289259342 /nfs/dbraw/zinc/25/93/42/289259342.db2.gz ZJBSYWAABBNGIZ-LMOYCYGVSA-N 1 0 282.428 2.166 10 0 CEAERO OC1CC(C[NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000528016963 297777348 /nfs/dbraw/zinc/77/73/48/297777348.db2.gz GFHHSULLAWWDCX-UHFFFAOYSA-N 1 0 261.365 2.095 10 0 CEAERO Cn1cc([C@H]2CCC[N@@H+]2C[C@H](O)C2CCCCC2)cn1 ZINC000191333693 153167226 /nfs/dbraw/zinc/16/72/26/153167226.db2.gz YSYRNGHMJPXCNC-CVEARBPZSA-N 1 0 277.412 2.498 10 0 CEAERO CC[NH+](CC)CCCN1CCC[C@H]1c1cnn(C)c1 ZINC000191479280 153177288 /nfs/dbraw/zinc/17/72/88/153177288.db2.gz IMLGGXFUGQTIQY-HNNXBMFYSA-N 1 0 264.417 2.289 10 0 CEAERO O=C(c1ccc2c(c1)CCC2)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195041918 153270043 /nfs/dbraw/zinc/27/00/43/153270043.db2.gz MZZSDOILFAGLBL-QGZVFWFLSA-N 1 0 284.403 2.486 10 0 CEAERO CC(C)n1nnnc1C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000195052586 153273211 /nfs/dbraw/zinc/27/32/11/153273211.db2.gz GGLPFPASASHCJM-HNNXBMFYSA-N 1 0 285.395 2.461 10 0 CEAERO O=C(c1cc2ccccc2cc1O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195313792 153280767 /nfs/dbraw/zinc/28/07/67/153280767.db2.gz NXYUGURXZOYPIH-OAHLLOKOSA-N 1 0 296.370 2.466 10 0 CEAERO CC(C)Cc1nc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cs1 ZINC000195339337 153288186 /nfs/dbraw/zinc/28/81/86/153288186.db2.gz IMZPSSWWGHKXBH-LBPRGKRZSA-N 1 0 293.436 2.262 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCCC1CCCC1 ZINC000225617988 153328155 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ZINC000247664964 153617840 /nfs/dbraw/zinc/61/78/40/153617840.db2.gz XXHIIENYTGIVIY-MGPQQGTHSA-N 1 0 255.402 2.427 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)N2CCOCC2)C12CCCC2 ZINC000245905480 286389952 /nfs/dbraw/zinc/38/99/52/286389952.db2.gz OLFOZPWNSJWZAA-HRCADAONSA-N 1 0 296.455 2.035 10 0 CEAERO CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[C@H]2O)CCO1 ZINC000251315835 153723126 /nfs/dbraw/zinc/72/31/26/153723126.db2.gz LFOCLJQVUBQUBY-TUVASFSCSA-N 1 0 255.402 2.331 10 0 CEAERO COCC1(CNC(=O)C[C@@H](C)C(C)(C)C)CC[NH2+]CC1 ZINC000261712708 153814103 /nfs/dbraw/zinc/81/41/03/153814103.db2.gz JOKOELBFRDLYLV-CYBMUJFWSA-N 1 0 284.444 2.191 10 0 CEAERO CCc1csc([C@H]2CCCN(C(=O)C[C@H](C)[NH3+])C2)n1 ZINC000261791848 153839761 /nfs/dbraw/zinc/83/97/61/153839761.db2.gz KIYFGBRGAZVIGK-QWRGUYRKSA-N 1 0 281.425 2.149 10 0 CEAERO CC(C)Cn1cc(CN2CC[C@H]([NH3+])C(C)(C)C2)cn1 ZINC000261783667 153840347 /nfs/dbraw/zinc/84/03/47/153840347.db2.gz UFPUWFOYFAYAIJ-AWEZNQCLSA-N 1 0 264.417 2.098 10 0 CEAERO O=C(CC[C@H]1CC[NH2+]C1)NCc1cnc2ccccc2c1 ZINC000261934369 153880091 /nfs/dbraw/zinc/88/00/91/153880091.db2.gz ZFWLSCPVFWSSIH-ZDUSSCGKSA-N 1 0 283.375 2.241 10 0 CEAERO CCOc1ccc(CN2C[C@H](C)[C@H]([NH3+])C2)cc1OCC ZINC000262049554 153904941 /nfs/dbraw/zinc/90/49/41/153904941.db2.gz QAZYWIXOBIWBKV-GXTWGEPZSA-N 1 0 278.396 2.263 10 0 CEAERO CC(C)c1ccccc1OCCNC(=O)[C@H](C)C1C[NH2+]C1 ZINC000262503304 153954892 /nfs/dbraw/zinc/95/48/92/153954892.db2.gz IWXVHRATMILZTQ-CYBMUJFWSA-N 1 0 290.407 2.161 10 0 CEAERO COc1ccc(OC(C)C)c(NC(=O)[C@H](C)C2C[NH2+]C2)c1 ZINC000262551108 153958668 /nfs/dbraw/zinc/95/86/68/153958668.db2.gz ORCUXUFFQZAXMI-LLVKDONJSA-N 1 0 292.379 2.276 10 0 CEAERO CCC(C)(C)CC[NH+]1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000262974863 154002442 /nfs/dbraw/zinc/00/24/42/154002442.db2.gz SOJFWBFZZVYRNF-UHFFFAOYSA-N 1 0 270.417 2.294 10 0 CEAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2ccc(Cl)cc2F)n1 ZINC000263219414 154039673 /nfs/dbraw/zinc/03/96/73/154039673.db2.gz LPEITXZTGILANQ-LLVKDONJSA-N 1 0 296.733 2.105 10 0 CEAERO CCS[C@H](c1nc([C@@H]2C[NH2+]CCN2C)no1)C(C)C ZINC000263245718 154042300 /nfs/dbraw/zinc/04/23/00/154042300.db2.gz PFXDSUWNMRNAIC-QWRGUYRKSA-N 1 0 284.429 2.096 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC(NCc2cccc(C)c2)C1 ZINC000263491714 154106000 /nfs/dbraw/zinc/10/60/00/154106000.db2.gz IRAAZEQLUNRSCM-UHFFFAOYSA-N 1 0 276.380 2.022 10 0 CEAERO O=C([O-])C[N@H+](CC1CC1)C1CC([NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000263529551 154116365 /nfs/dbraw/zinc/11/63/65/154116365.db2.gz VSBWFIQHKYFDLZ-SSHXOBKSSA-N 1 0 292.423 2.092 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1nc(C2CC2)ns1 ZINC000301966481 154183240 /nfs/dbraw/zinc/18/32/40/154183240.db2.gz VQNQMBPMPKSCJX-NWDGAFQWSA-N 1 0 278.425 2.479 10 0 CEAERO [NH3+]CCNC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000158663836 162310310 /nfs/dbraw/zinc/31/03/10/162310310.db2.gz GSOQFBCXNDLFRL-IUCAKERBSA-N 1 0 273.163 2.172 10 0 CEAERO COC[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000159821167 162316433 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CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC[C@@H]1CC[C@H](C)O1 ZINC000175028712 165121165 /nfs/dbraw/zinc/12/11/65/165121165.db2.gz ZREHDKOYQGEZBD-JJXSEGSLSA-N 1 0 294.439 2.419 10 0 CEAERO CCCc1noc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2CC)n1 ZINC000175043348 165122287 /nfs/dbraw/zinc/12/22/87/165122287.db2.gz NHUDUKXFLVBPOD-QWHCGFSZSA-N 1 0 278.400 2.081 10 0 CEAERO CCCC[C@H](CCC)NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000175984141 165151112 /nfs/dbraw/zinc/15/11/12/165151112.db2.gz WYYMRQQRVQVQSS-LSDHHAIUSA-N 1 0 299.459 2.317 10 0 CEAERO CCOc1cccnc1C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000176556233 165166685 /nfs/dbraw/zinc/16/66/85/165166685.db2.gz WFLRPMNRIYJXDE-ZDUSSCGKSA-N 1 0 291.395 2.037 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccoc1C ZINC000176977538 165181362 /nfs/dbraw/zinc/18/13/62/165181362.db2.gz OPEMHARFGWJWMV-LBPRGKRZSA-N 1 0 250.342 2.144 10 0 CEAERO CCOCC[N@@H+]1CCN([C@@H](C)c2ccccn2)C[C@@H]1C ZINC000177131313 165188903 /nfs/dbraw/zinc/18/89/03/165188903.db2.gz PJDNMRLPWXHMIA-GJZGRUSLSA-N 1 0 277.412 2.185 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C)C(=O)NC(C)(C)CC ZINC000177705821 165207753 /nfs/dbraw/zinc/20/77/53/165207753.db2.gz DARVRGGEUSTTSZ-KGLIPLIRSA-N 1 0 283.460 2.096 10 0 CEAERO CC(C)c1csc([C@@H]2CCC[N@H+](CCO)C2)n1 ZINC000177814715 165208992 /nfs/dbraw/zinc/20/89/92/165208992.db2.gz RCYOCHMEEVJCQT-LLVKDONJSA-N 1 0 254.399 2.438 10 0 CEAERO C[C@H]1C[N@H+](Cc2cccc3[nH]ccc32)C[C@@H]1N1CCOCC1 ZINC000180236219 165299704 /nfs/dbraw/zinc/29/97/04/165299704.db2.gz FRXJWWSRNNSUGK-KSSFIOAISA-N 1 0 299.418 2.320 10 0 CEAERO CCCCC[C@@H](CC)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000180862927 165321847 /nfs/dbraw/zinc/32/18/47/165321847.db2.gz PLODTHQISWELNI-CABCVRRESA-N 1 0 284.444 2.382 10 0 CEAERO C[C@@H](OC1CCCCCC1)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000237392331 287116950 /nfs/dbraw/zinc/11/69/50/287116950.db2.gz AVJAHNZMPKIUBA-KGLIPLIRSA-N 1 0 282.428 2.454 10 0 CEAERO C[NH2+]C[C@@H]1CCCN(c2nccc(C(C)(C)C)n2)C1 ZINC000261596398 165501492 /nfs/dbraw/zinc/50/14/92/165501492.db2.gz OOVDNIJSRSGHJQ-LBPRGKRZSA-N 1 0 262.401 2.210 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(F)(F)F ZINC000092696065 287224455 /nfs/dbraw/zinc/22/44/55/287224455.db2.gz QWFJHFURLFAAIP-GHMZBOCLSA-N 1 0 250.308 2.497 10 0 CEAERO CCN(CC)C(=O)[C@]1(c2ccc(C)cc2)C[C@@H]1C[NH3+] ZINC000005649643 170123998 /nfs/dbraw/zinc/12/39/98/170123998.db2.gz FWSXXKQITHMJAY-ZBFHGGJFSA-N 1 0 260.381 2.080 10 0 CEAERO CCN(CC)C(=O)[C@]1(c2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC000005649651 170124057 /nfs/dbraw/zinc/12/40/57/170124057.db2.gz DINLEIZQTNLLQD-DOMZBBRYSA-N 1 0 280.799 2.425 10 0 CEAERO COc1cc(OC)c(C[C@H](C)[NH3+])cc1Br ZINC000006020972 170169374 /nfs/dbraw/zinc/16/93/74/170169374.db2.gz YFSLPSITQIUFQK-ZETCQYMHSA-N 1 0 274.158 2.356 10 0 CEAERO C[NH+](C)CCSc1nccc(-c2nccs2)n1 ZINC000006437055 170201601 /nfs/dbraw/zinc/20/16/01/170201601.db2.gz DZIPTOCYVFZQOC-UHFFFAOYSA-N 1 0 266.395 2.254 10 0 CEAERO CNC(=O)[C@@H](C)[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000008244519 170326793 /nfs/dbraw/zinc/32/67/93/170326793.db2.gz KSNKDLJXFBSTAN-JDDJGOSBSA-N 1 0 264.413 2.315 10 0 CEAERO C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000019259125 170760730 /nfs/dbraw/zinc/76/07/30/170760730.db2.gz ZFLBKQCCIYJOGP-VXGBXAGGSA-N 1 0 282.409 2.097 10 0 CEAERO C[C@@H]1CC[C@H](C(=O)Nc2cc(F)cc(F)c2)C[NH2+]1 ZINC000019478072 170808766 /nfs/dbraw/zinc/80/87/66/170808766.db2.gz JTVUVSHJCCDJEK-BDAKNGLRSA-N 1 0 254.280 2.291 10 0 CEAERO C[NH+](C)CC(C)(C)CNc1ccc(C(N)=S)cc1 ZINC000019866715 170899538 /nfs/dbraw/zinc/89/95/38/170899538.db2.gz HCPCMHUPJNGBSV-UHFFFAOYSA-N 1 0 265.426 2.321 10 0 CEAERO COc1cccc(C[NH2+]C[C@H](C(C)C)N(C)C)c1 ZINC000020145446 171030743 /nfs/dbraw/zinc/03/07/43/171030743.db2.gz KBIUNCWBGNDSFD-OAHLLOKOSA-N 1 0 250.386 2.371 10 0 CEAERO [NH3+]C[C@@H]1CCCN1C(=O)c1c(F)cccc1Cl ZINC000020182635 171046103 /nfs/dbraw/zinc/04/61/03/171046103.db2.gz IOGGYZSZFZBDIT-QMMMGPOBSA-N 1 0 256.708 2.042 10 0 CEAERO [NH3+]CCN(C(=O)Cc1ccccc1)C1CCCCC1 ZINC000020183552 171046427 /nfs/dbraw/zinc/04/64/27/171046427.db2.gz HHNHRSQNYPRCQE-UHFFFAOYSA-N 1 0 260.381 2.349 10 0 CEAERO [NH3+]CCOCCOc1cc(Cl)ccc1Cl ZINC000020221462 171082831 /nfs/dbraw/zinc/08/28/31/171082831.db2.gz ODMPZLJIBYHQPX-UHFFFAOYSA-N 1 0 250.125 2.348 10 0 CEAERO CN(Cc1cccc(F)c1)[C@]1(C[NH3+])CCSC1 ZINC000020266476 171122962 /nfs/dbraw/zinc/12/29/62/171122962.db2.gz MXZNOCQIFHHDNR-ZDUSSCGKSA-N 1 0 254.374 2.092 10 0 CEAERO [NH3+]Cc1ccccc1S(=O)(=O)N1CCCCCCC1 ZINC000020265465 171122983 /nfs/dbraw/zinc/12/29/83/171122983.db2.gz UDODAWZYPYOXRW-UHFFFAOYSA-N 1 0 282.409 2.100 10 0 CEAERO CN1CC[NH2+]C[C@@H]1c1ccc(Br)cc1 ZINC000020268361 171123987 /nfs/dbraw/zinc/12/39/87/171123987.db2.gz UFGAWLAIPNFFLI-LLVKDONJSA-N 1 0 255.159 2.025 10 0 CEAERO C[C@@H]([NH2+]Cc1ccc(Cl)cc1)C(=O)NC1CC1 ZINC000020307280 171142914 /nfs/dbraw/zinc/14/29/14/171142914.db2.gz BEZLLEIIQNTIDO-SECBINFHSA-N 1 0 252.745 2.097 10 0 CEAERO CCCCNC(=O)[C@@H](C)Oc1ccc([C@@H](C)[NH3+])cc1 ZINC000020419273 171183721 /nfs/dbraw/zinc/18/37/21/171183721.db2.gz XDXQOWBQUAUZPO-VXGBXAGGSA-N 1 0 264.369 2.390 10 0 CEAERO CC[C@@H]([NH3+])c1ccccc1O[C@H](C)C(=O)N1CCCC1 ZINC000020419968 171185630 /nfs/dbraw/zinc/18/56/30/171185630.db2.gz MQVSUSUXDMPGNU-TZMCWYRMSA-N 1 0 276.380 2.486 10 0 CEAERO CCC[N@@H+]1CCc2nc(CC(=O)OCC)sc2C1 ZINC000020432881 171197122 /nfs/dbraw/zinc/19/71/22/171197122.db2.gz ZDDIMCMBIUKGNS-UHFFFAOYSA-N 1 0 268.382 2.017 10 0 CEAERO C[C@H]1CC[C@H](C(=O)Nc2c(F)cccc2F)C[NH2+]1 ZINC000020476466 171221110 /nfs/dbraw/zinc/22/11/10/171221110.db2.gz SCSNJNCTZOKPPM-IUCAKERBSA-N 1 0 254.280 2.291 10 0 CEAERO CCCCCCO[C@@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000020512608 171231079 /nfs/dbraw/zinc/23/10/79/171231079.db2.gz SQQZYKGKMVAMFC-QWHCGFSZSA-N 1 0 257.374 2.206 10 0 CEAERO COc1cc(N)ccc1NC(=O)[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000022151350 171358786 /nfs/dbraw/zinc/35/87/86/171358786.db2.gz PPCMGDUUWJUVFM-NWDGAFQWSA-N 1 0 291.395 2.479 10 0 CEAERO COc1cc(N)ccc1NC(=O)CCC[NH+]1CCCC1 ZINC000022152071 171359220 /nfs/dbraw/zinc/35/92/20/171359220.db2.gz GPHDGEFINOQXGQ-UHFFFAOYSA-N 1 0 277.368 2.092 10 0 CEAERO Nc1cc(F)ccc1NC(=O)CCC[NH+]1CCCC1 ZINC000022153551 171360577 /nfs/dbraw/zinc/36/05/77/171360577.db2.gz MXIGMMYBRVSCCY-UHFFFAOYSA-N 1 0 265.332 2.222 10 0 CEAERO COc1ccc(NC(=O)C[NH+]2CCCCCC2)c(N)c1 ZINC000022153935 171360926 /nfs/dbraw/zinc/36/09/26/171360926.db2.gz AULKWCUQPXRECR-UHFFFAOYSA-N 1 0 277.368 2.092 10 0 CEAERO C[C@@H]1C[N@@H+](CCCC(=O)Nc2cccc(N)c2)C[C@H](C)O1 ZINC000022154556 171361144 /nfs/dbraw/zinc/36/11/44/171361144.db2.gz ORVCKIUGDZOZQK-BETUJISGSA-N 1 0 291.395 2.097 10 0 CEAERO COc1ccc(N)cc1NC(=O)CCC[N@H+](C)C(C)C ZINC000022174276 171369478 /nfs/dbraw/zinc/36/94/78/171369478.db2.gz GGDYUVXHOVCGAF-UHFFFAOYSA-N 1 0 279.384 2.336 10 0 CEAERO CCCCS(=O)(=O)Nc1ccccc1[C@@H](C)[NH3+] ZINC000022211054 171373420 /nfs/dbraw/zinc/37/34/20/171373420.db2.gz NVMHXSLBIVMXHD-SNVBAGLBSA-N 1 0 256.371 2.248 10 0 CEAERO [NH3+]C[C@@H](c1cnn(-c2ccccc2)c1)N1CCCCC1 ZINC000022211631 171374047 /nfs/dbraw/zinc/37/40/47/171374047.db2.gz PBBVVZKOQFRMDZ-INIZCTEOSA-N 1 0 270.380 2.358 10 0 CEAERO CC[NH+](CC)CCCNC(=O)c1cccc(N)c1C ZINC000022217446 171376178 /nfs/dbraw/zinc/37/61/78/171376178.db2.gz ZFWYVJXEOBBCLW-UHFFFAOYSA-N 1 0 263.385 2.039 10 0 CEAERO CC[NH+](CC)CCCNC(=O)c1cccc(C)c1N ZINC000022218264 171376577 /nfs/dbraw/zinc/37/65/77/171376577.db2.gz YPOZSXMDYNWYKN-UHFFFAOYSA-N 1 0 263.385 2.039 10 0 CEAERO C[C@@H]1CN([C@@H](C[NH3+])c2cccc(Br)c2)CCO1 ZINC000022221387 171378387 /nfs/dbraw/zinc/37/83/87/171378387.db2.gz RQOUTCPDBZVBPE-MFKMUULPSA-N 1 0 299.212 2.170 10 0 CEAERO CCN(C1CCCCC1)S(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000022223179 171379127 /nfs/dbraw/zinc/37/91/27/171379127.db2.gz ZWHHPHFYKRJSKE-UHFFFAOYSA-N 1 0 296.436 2.489 10 0 CEAERO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](N)c2ccc3c(c2)OCO3)C1 ZINC000022563077 171391145 /nfs/dbraw/zinc/39/11/45/171391145.db2.gz YMIGISYPWWXSAE-YRGRVCCFSA-N 1 0 276.380 2.393 10 0 CEAERO CC[NH2+]Cc1cccc(OCC(=O)N[C@H](C)CC)c1 ZINC000034816316 171869832 /nfs/dbraw/zinc/86/98/32/171869832.db2.gz KXCWVEWABFDQEW-GFCCVEGCSA-N 1 0 264.369 2.090 10 0 CEAERO Cc1nn(C)c(N2CCC[C@H](C)C2)c1C[NH2+]C(C)C ZINC000034823318 171876961 /nfs/dbraw/zinc/87/69/61/171876961.db2.gz WICOPROEUYREGY-LBPRGKRZSA-N 1 0 264.417 2.463 10 0 CEAERO c1cnn(-c2ccc(C[NH2+][C@H]3CN4CCC3CC4)cc2)c1 ZINC000035018774 171937084 /nfs/dbraw/zinc/93/70/84/171937084.db2.gz CYMXIAUFUURCDT-KRWDZBQOSA-N 1 0 282.391 2.056 10 0 CEAERO C[C@H]([NH2+]CCc1cccc(F)c1)C(=O)N1CCCCC1 ZINC000035140882 172008045 /nfs/dbraw/zinc/00/80/45/172008045.db2.gz VMIIEHYSNMLRLM-ZDUSSCGKSA-N 1 0 278.371 2.359 10 0 CEAERO O=C(C[NH2+][C@@H]1CCSc2ccccc21)NC1CC1 ZINC000035141799 172008669 /nfs/dbraw/zinc/00/86/69/172008669.db2.gz RASJJESZWJWYCJ-GFCCVEGCSA-N 1 0 262.378 2.092 10 0 CEAERO CC[NH2+]Cc1c(N(CC)CC)nc2sccn12 ZINC000035429580 172197150 /nfs/dbraw/zinc/19/71/50/172197150.db2.gz LGZZFCFOOHWRBE-UHFFFAOYSA-N 1 0 252.387 2.352 10 0 CEAERO C[C@@H]1CCCCN1c1nc2sccn2c1C[NH3+] ZINC000035429604 172198160 /nfs/dbraw/zinc/19/81/60/172198160.db2.gz OZVZUSLACAMDSS-SECBINFHSA-N 1 0 250.371 2.233 10 0 CEAERO c1ccn2c(c1)nc(N1CCCC1)c2C[NH2+]C1CC1 ZINC000035433843 172201980 /nfs/dbraw/zinc/20/19/80/172201980.db2.gz VZBAPZVTRIZSGV-UHFFFAOYSA-N 1 0 256.353 2.187 10 0 CEAERO C[NH2+][C@H](c1cccs1)c1cccc(S(C)(=O)=O)c1 ZINC000035488227 172222801 /nfs/dbraw/zinc/22/28/01/172222801.db2.gz KNSXTMFXEPJDNQ-ZDUSSCGKSA-N 1 0 281.402 2.460 10 0 CEAERO CC[NH2+][C@H](c1ccc2c(c1)OCCO2)[C@@H]1CCCO1 ZINC000035545073 172252706 /nfs/dbraw/zinc/25/27/06/172252706.db2.gz UMLQAGABJNMJPQ-DZGCQCFKSA-N 1 0 263.337 2.287 10 0 CEAERO C[C@@H](CO)[NH2+][C@H](c1ccccc1)c1ccc(O)cc1 ZINC000035603258 172291760 /nfs/dbraw/zinc/29/17/60/172291760.db2.gz OIEHASWIADSZES-BLLLJJGKSA-N 1 0 257.333 2.452 10 0 CEAERO CC[NH2+][C@H](C)c1cccc(S(=O)(=O)NC(C)C)c1 ZINC000035632808 172315533 /nfs/dbraw/zinc/31/55/33/172315533.db2.gz NCJDQQVLBZGHOE-LLVKDONJSA-N 1 0 270.398 2.044 10 0 CEAERO CC[NH2+][C@H](C)c1ccccc1NC(=O)[C@H]1CCCO1 ZINC000035643812 172321490 /nfs/dbraw/zinc/32/14/90/172321490.db2.gz CDDCYFRYTPSEHT-BXUZGUMPSA-N 1 0 262.353 2.475 10 0 CEAERO CC1CC[NH+](CCc2nc3cc(N)ccc3[nH]2)CC1 ZINC000035659102 172335723 /nfs/dbraw/zinc/33/57/23/172335723.db2.gz UGORXYDDMLMKOC-UHFFFAOYSA-N 1 0 258.369 2.420 10 0 CEAERO C[C@H](NC(=O)C[C@H]([NH3+])c1ccccc1)c1ccccn1 ZINC000035694939 172363645 /nfs/dbraw/zinc/36/36/45/172363645.db2.gz SBYAHDFEPDESFF-JSGCOSHPSA-N 1 0 269.348 2.349 10 0 CEAERO COC(=O)[C@H](C)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000035759556 172398476 /nfs/dbraw/zinc/39/84/76/172398476.db2.gz YXYNJDAXEZHMRY-GFCCVEGCSA-N 1 0 296.798 2.271 10 0 CEAERO CC[NH2+][C@@H]1CCCS(=O)(=O)c2ccc(F)cc21 ZINC000035761520 172399183 /nfs/dbraw/zinc/39/91/83/172399183.db2.gz TYDZJDJZBIEWIL-LLVKDONJSA-N 1 0 257.330 2.044 10 0 CEAERO CC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Cl)cc21 ZINC000035760888 172399807 /nfs/dbraw/zinc/39/98/07/172399807.db2.gz BLCLZRLZRZVABZ-JTQLQIEISA-N 1 0 259.758 2.168 10 0 CEAERO C/C(=C\c1cccs1)C(=O)NCCC[NH+](C)C ZINC000036171997 172491126 /nfs/dbraw/zinc/49/11/26/172491126.db2.gz QJJYQXXALUUVCK-ZHACJKMWSA-N 1 0 252.383 2.219 10 0 CEAERO [NH3+][C@@H]1C[C@@H]1Nc1ncc(C(F)(F)F)cc1Cl ZINC000036267751 172562546 /nfs/dbraw/zinc/56/25/46/172562546.db2.gz ZNTCVDPWOBOLMN-RQJHMYQMSA-N 1 0 251.639 2.265 10 0 CEAERO CCOc1cccc(C=O)c1OCC[NH+]1CCCC1 ZINC000036672295 172648719 /nfs/dbraw/zinc/64/87/19/172648719.db2.gz ZNRSPTBKBTWVIV-UHFFFAOYSA-N 1 0 263.337 2.372 10 0 CEAERO COc1cccc(SC[C@@H](O)C[NH2+]C(C)C)c1 ZINC000036951334 172824806 /nfs/dbraw/zinc/82/48/06/172824806.db2.gz JGTBAZHKHUZOHT-NSHDSACASA-N 1 0 255.383 2.146 10 0 CEAERO CN(Cc1cccc(C[NH3+])c1)C(=O)c1ccccc1 ZINC000037034712 172902815 /nfs/dbraw/zinc/90/28/15/172902815.db2.gz KLECHUNXJJTGDG-UHFFFAOYSA-N 1 0 254.333 2.418 10 0 CEAERO COc1ccc(N)cc1C[N@H+](C)[C@H]1CCSC1 ZINC000037174125 173008916 /nfs/dbraw/zinc/00/89/16/173008916.db2.gz WFIVDZUOYLWDRK-LBPRGKRZSA-N 1 0 252.383 2.215 10 0 CEAERO Cc1ccc([C@@H](C[NH3+])N(C)[C@@H]2CCSC2)s1 ZINC000037174542 173009937 /nfs/dbraw/zinc/00/99/37/173009937.db2.gz HKIHGVZVVWTHKI-GHMZBOCLSA-N 1 0 256.440 2.494 10 0 CEAERO Cc1ccc([C@@H](C[NH3+])N2CCSCC2)cc1C ZINC000037180000 173013072 /nfs/dbraw/zinc/01/30/72/173013072.db2.gz ZMIYKYIQIBMTEQ-CQSZACIVSA-N 1 0 250.411 2.352 10 0 CEAERO Cc1nn(C)c(C)c1N[C@@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000037221029 173040213 /nfs/dbraw/zinc/04/02/13/173040213.db2.gz ONCRVHLKRYDYGT-GXFFZTMASA-N 1 0 250.390 2.179 10 0 CEAERO CC[NH2+][C@@H](CC)c1ccccc1OC[C@H](C)C(N)=O ZINC000037226897 173047083 /nfs/dbraw/zinc/04/70/83/173047083.db2.gz GXKCLQHXSILEPT-AAEUAGOBSA-N 1 0 264.369 2.247 10 0 CEAERO CC(C)OCCC[NH2+][C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000037239614 173056243 /nfs/dbraw/zinc/05/62/43/173056243.db2.gz QDDXYVOTWMHWQC-CQSZACIVSA-N 1 0 297.420 2.310 10 0 CEAERO CCC[NH2+][C@@H]1CCN(CCc2ccccc2F)C1 ZINC000037241242 173058064 /nfs/dbraw/zinc/05/80/64/173058064.db2.gz RXQOULMLTWLPKN-CQSZACIVSA-N 1 0 250.361 2.442 10 0 CEAERO Cc1nc2sccn2c1C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000037242341 173058652 /nfs/dbraw/zinc/05/86/52/173058652.db2.gz SMHVBCFZXHLEAV-JQWIXIFHSA-N 1 0 265.382 2.361 10 0 CEAERO NC(=O)CC[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000037262139 173071792 /nfs/dbraw/zinc/07/17/92/173071792.db2.gz BQPSLZMRHGRNMY-ZDUSSCGKSA-N 1 0 252.383 2.444 10 0 CEAERO CC(C)C[C@@H](C)[NH2+]Cc1ccc(C(N)=O)cc1F ZINC000037264870 173073222 /nfs/dbraw/zinc/07/32/22/173073222.db2.gz CPJDLNJGRQPJRS-SNVBAGLBSA-N 1 0 252.333 2.449 10 0 CEAERO COC1CCN([C@@H](C[NH3+])c2ccc(C)cc2C)CC1 ZINC000037265836 173074771 /nfs/dbraw/zinc/07/47/71/173074771.db2.gz JPPIRDARZKAMCW-INIZCTEOSA-N 1 0 262.397 2.414 10 0 CEAERO C[C@@H]([NH2+][C@H]1CSCc2ccccc21)C(=O)N(C)C ZINC000037268226 173078898 /nfs/dbraw/zinc/07/88/98/173078898.db2.gz PDSRXMSPXRPSND-MFKMUULPSA-N 1 0 264.394 2.041 10 0 CEAERO CCNC(=O)[C@H](C)[NH2+][C@@H]1CSCc2ccccc21 ZINC000037268753 173080013 /nfs/dbraw/zinc/08/00/13/173080013.db2.gz KERLFNVHDUNGSK-GXFFZTMASA-N 1 0 264.394 2.089 10 0 CEAERO CCCCNC(=O)N(CCC[NH3+])c1ccccc1F ZINC000037298259 173102495 /nfs/dbraw/zinc/10/24/95/173102495.db2.gz IWDMJIWONGIHRS-UHFFFAOYSA-N 1 0 267.348 2.491 10 0 CEAERO CNC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)c1scnc1C ZINC000037320860 173121278 /nfs/dbraw/zinc/12/12/78/173121278.db2.gz QJBVOGRJJLRRKO-QWRGUYRKSA-N 1 0 269.414 2.263 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)NCc1ccc(Cl)cc1 ZINC000037386309 173168722 /nfs/dbraw/zinc/16/87/22/173168722.db2.gz TUUVDHATNYPGAJ-SNVBAGLBSA-N 1 0 254.761 2.344 10 0 CEAERO COc1ccc(C[NH2+]CC(OC)OC)cc1OC(F)F ZINC000037388361 173171925 /nfs/dbraw/zinc/17/19/25/173171925.db2.gz NGGABILBQGQLIQ-UHFFFAOYSA-N 1 0 291.294 2.005 10 0 CEAERO CC(C)[NH2+]CC(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000037394757 173175558 /nfs/dbraw/zinc/17/55/58/173175558.db2.gz TZLHAFHNYNBKMA-VIFPVBQESA-N 1 0 256.296 2.140 10 0 CEAERO Nc1cccc(Br)c1C[NH+]1CCC(CO)CC1 ZINC000037401898 173178510 /nfs/dbraw/zinc/17/85/10/173178510.db2.gz HSBBMMDRPWIFIJ-UHFFFAOYSA-N 1 0 299.212 2.236 10 0 CEAERO CCCn1c2ccc(Br)cc2nc1[C@@H]([NH3+])CO ZINC000037441675 173211554 /nfs/dbraw/zinc/21/15/54/173211554.db2.gz GCGBGRPNYMHIOP-VIFPVBQESA-N 1 0 298.184 2.201 10 0 CEAERO CC(C)n1c2c(cccc2Cl)nc1[C@@H]([NH3+])CO ZINC000037444331 173212248 /nfs/dbraw/zinc/21/22/48/173212248.db2.gz FPFBDYVKDYVYBS-VIFPVBQESA-N 1 0 253.733 2.263 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](c2nc3cccc(Cl)c3n2C)C1 ZINC000037443648 173212269 /nfs/dbraw/zinc/21/22/69/173212269.db2.gz PWWMPMHNESJOOU-LDYMZIIASA-N 1 0 265.744 2.276 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)N(CCOC)Cc1cccs1 ZINC000037495628 173235230 /nfs/dbraw/zinc/23/52/30/173235230.db2.gz ROKMBGHZDVNHRF-LBPRGKRZSA-N 1 0 284.425 2.111 10 0 CEAERO CCC[NH2+][C@@](C)(C(N)=O)c1ccccc1C(F)(F)F ZINC000037513856 173245038 /nfs/dbraw/zinc/24/50/38/173245038.db2.gz ONBAEVPMGZLLAL-GFCCVEGCSA-N 1 0 274.286 2.406 10 0 CEAERO CCCN(C(=O)c1ccc(C)o1)[C@H]1CCC[NH2+]C1 ZINC000037541528 173263079 /nfs/dbraw/zinc/26/30/79/173263079.db2.gz RDFVSSNAMMFRGY-LBPRGKRZSA-N 1 0 250.342 2.192 10 0 CEAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+]CC(OC)OC ZINC000037566603 173514604 /nfs/dbraw/zinc/51/46/04/173514604.db2.gz ITJHVYOQKVCPSL-AWEZNQCLSA-N 1 0 265.353 2.281 10 0 CEAERO Cc1ccc([C@@H](C)[NH2+]C2CCN(C(N)=O)CC2)c(C)c1 ZINC000037772156 173704237 /nfs/dbraw/zinc/70/42/37/173704237.db2.gz FFHXQIXVRBFVSZ-CYBMUJFWSA-N 1 0 275.396 2.497 10 0 CEAERO CC(C)COC(=O)N1CCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000037916148 173850910 /nfs/dbraw/zinc/85/09/10/173850910.db2.gz OORQXSFXJGLILQ-QWHCGFSZSA-N 1 0 254.374 2.243 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CNc1c(F)cc(N)cc1F ZINC000038039923 174039544 /nfs/dbraw/zinc/03/95/44/174039544.db2.gz YWNUENBNOPWKSM-SNVBAGLBSA-N 1 0 255.312 2.443 10 0 CEAERO CC(C)c1nn(C)cc1C[NH2+]C[C@@H]1CCCOC1 ZINC000038045140 174053403 /nfs/dbraw/zinc/05/34/03/174053403.db2.gz ZJBWANHWXNZHBY-LBPRGKRZSA-N 1 0 251.374 2.060 10 0 CEAERO COc1ccc(C)cc1[C@@H](O)C[NH2+]C[C@@H]1CCCOC1 ZINC000038045549 174054030 /nfs/dbraw/zinc/05/40/30/174054030.db2.gz BQWWACVILATBMC-ZFWWWQNUSA-N 1 0 279.380 2.053 10 0 CEAERO O[C@H](C[NH2+]C[C@H]1CCCOC1)COc1ccccc1Cl ZINC000038045354 174054097 /nfs/dbraw/zinc/05/40/97/174054097.db2.gz OXKOGQSPZAIEIW-CHWSQXEVSA-N 1 0 299.798 2.096 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)cc1 ZINC000038049304 174059901 /nfs/dbraw/zinc/05/99/01/174059901.db2.gz IWQHOPNALXSJMQ-NWDGAFQWSA-N 1 0 252.745 2.340 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)cc1 ZINC000038049307 174060000 /nfs/dbraw/zinc/06/00/00/174060000.db2.gz IWQHOPNALXSJMQ-NEPJUHHUSA-N 1 0 252.745 2.340 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1OC(F)F ZINC000038049344 174060699 /nfs/dbraw/zinc/06/06/99/174060699.db2.gz PQDKLNPXNNFVGY-GHMZBOCLSA-N 1 0 284.306 2.288 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)Nc1ccccc1F ZINC000038049847 174061043 /nfs/dbraw/zinc/06/10/43/174061043.db2.gz SXSBYZZGILEYKU-CMPLNLGQSA-N 1 0 251.305 2.217 10 0 CEAERO CC(C)[NH+]1CCC(C(=O)[O-])([NH+]2CCCCCC2)CC1 ZINC000038086355 174097839 /nfs/dbraw/zinc/09/78/39/174097839.db2.gz ITHOMMGKYIVJPT-UHFFFAOYSA-N 1 0 268.401 2.190 10 0 CEAERO CCN1C(=O)C[C@@H]([NH2+][C@@H](C)c2cccc(Cl)c2)C1=O ZINC000038092301 174106081 /nfs/dbraw/zinc/10/60/81/174106081.db2.gz RKSVRWVUTIMRNV-JOYOIKCWSA-N 1 0 280.755 2.138 10 0 CEAERO CCCC[C@@H]1C[NH2+]CCN1Cc1ccccc1C(=O)OC ZINC000039952583 174177600 /nfs/dbraw/zinc/17/76/00/174177600.db2.gz KLHZPZJVDSPTJA-OAHLLOKOSA-N 1 0 290.407 2.437 10 0 CEAERO CC(C)NC(=O)[C@@H](C)[NH2+][C@H](C)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000040176564 174201636 /nfs/dbraw/zinc/20/16/36/174201636.db2.gz OSEIZZFYTLJRFO-POQQGIQPSA-N 1 0 252.402 2.314 10 0 CEAERO OCCn1c2ccc(C(F)(F)F)cc2nc1[C@@H]1CCC[NH2+]1 ZINC000040401153 174253391 /nfs/dbraw/zinc/25/33/91/174253391.db2.gz ANHHEERDOBOOGC-JTQLQIEISA-N 1 0 299.296 2.472 10 0 CEAERO CCCCN(C(=O)[C@@H]([NH3+])CCSC)[C@@H](C)CC ZINC000040467541 174275515 /nfs/dbraw/zinc/27/55/15/174275515.db2.gz QJKIXVLJTOMSFH-RYUDHWBXSA-N 1 0 260.447 2.494 10 0 CEAERO [NH3+][C@H](CC(=O)Nc1cccc(O)c1)c1ccccc1 ZINC000040495342 174294279 /nfs/dbraw/zinc/29/42/79/174294279.db2.gz QLQNRFNWGKNTMJ-CQSZACIVSA-N 1 0 256.305 2.421 10 0 CEAERO CCN(CC)C(=O)C[NH2+][C@H](C)COc1ccc(C)cc1 ZINC000040499889 174296707 /nfs/dbraw/zinc/29/67/07/174296707.db2.gz QMZVIQBBQLIOOM-CQSZACIVSA-N 1 0 278.396 2.220 10 0 CEAERO Cc1ccc(OC[C@@H](C)NC(=O)[C@@](C)([NH3+])C2CC2)cc1 ZINC000040500222 174297162 /nfs/dbraw/zinc/29/71/62/174297162.db2.gz BWRQCHHVAINXSD-WBMJQRKESA-N 1 0 276.380 2.006 10 0 CEAERO CCN1CCC[C@@H]([NH2+]Cc2ccc(OC)c(OC)c2)C1 ZINC000040502009 174298388 /nfs/dbraw/zinc/29/83/88/174298388.db2.gz JLVCKIXZFKMVCF-CQSZACIVSA-N 1 0 278.396 2.278 10 0 CEAERO COc1cc(Br)c(OC)c(C[C@H](C)[NH3+])c1 ZINC000040504245 174300674 /nfs/dbraw/zinc/30/06/74/174300674.db2.gz HCZXNFSMGJKVHO-ZETCQYMHSA-N 1 0 274.158 2.356 10 0 CEAERO CC[NH+](CC)[C@H](CNC(=O)N(C)C)c1ccc(OC)cc1 ZINC000040614930 174353747 /nfs/dbraw/zinc/35/37/47/174353747.db2.gz XMLMZCZRKIZIPU-OAHLLOKOSA-N 1 0 293.411 2.349 10 0 CEAERO CC(C)(CNC(=O)c1ccc2c(c1)OCO2)[NH+]1CCCC1 ZINC000040616122 174354258 /nfs/dbraw/zinc/35/42/58/174354258.db2.gz PZJLQCNYDXYCDR-UHFFFAOYSA-N 1 0 290.363 2.020 10 0 CEAERO CC(C)[N@@H+]1CC[C@@H](CN[C@@H]2CCCc3c2cnn3C)C1 ZINC000040622524 174355680 /nfs/dbraw/zinc/35/56/80/174355680.db2.gz GUKQPVVDNLWYSL-DZGCQCFKSA-N 1 0 276.428 2.117 10 0 CEAERO CN1CCC([NH2+]Cc2cc3c(s2)CCC3)CC1 ZINC000040625181 174356540 /nfs/dbraw/zinc/35/65/40/174356540.db2.gz PRGZOBGXDUXEGZ-UHFFFAOYSA-N 1 0 250.411 2.421 10 0 CEAERO CCC[C@@](C)([NH3+])C(=O)NCc1cc2c(s1)CCC2 ZINC000040628137 174356998 /nfs/dbraw/zinc/35/69/98/174356998.db2.gz HNRZMDUNLREDGA-CQSZACIVSA-N 1 0 266.410 2.371 10 0 CEAERO CO[C@H]1C[NH2+][C@H](C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000040629688 174357586 /nfs/dbraw/zinc/35/75/86/174357586.db2.gz YUBZJBFXUONOPF-KCJUWKMLSA-N 1 0 289.162 2.309 10 0 CEAERO CO[C@H]1C[NH2+][C@H](C(=O)Nc2cccc3ccccc32)C1 ZINC000040629724 174357917 /nfs/dbraw/zinc/35/79/17/174357917.db2.gz PZWDJMGNFUWRCE-DOMZBBRYSA-N 1 0 270.332 2.155 10 0 CEAERO Cn1ccnc1CC[NH2+]Cc1c(F)cccc1F ZINC000040638544 174363336 /nfs/dbraw/zinc/36/33/36/174363336.db2.gz JRPZCFKDGRRLIF-UHFFFAOYSA-N 1 0 251.280 2.031 10 0 CEAERO Cc1n[nH]c(C)c1C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000040670967 174368846 /nfs/dbraw/zinc/36/88/46/174368846.db2.gz GCSLUJPVMYNUTG-BDJLRTHQSA-N 1 0 292.427 2.267 10 0 CEAERO c1ccc(CCN2CC[C@H]([NH2+]Cc3ccncc3)C2)cc1 ZINC000040671258 174369037 /nfs/dbraw/zinc/36/90/37/174369037.db2.gz MQYIAQMJMONBCG-SFHVURJKSA-N 1 0 281.403 2.488 10 0 CEAERO CCOC1CCN([C@H]2Cc3ccccc3[C@H]2[NH3+])CC1 ZINC000040689279 174376416 /nfs/dbraw/zinc/37/64/16/174376416.db2.gz HUMCFBGDXIWVCR-JKSUJKDBSA-N 1 0 260.381 2.112 10 0 CEAERO C[NH2+]Cc1c(Oc2ccc(CO)cc2)nc2sccn21 ZINC000040711267 174381298 /nfs/dbraw/zinc/38/12/98/174381298.db2.gz TZZNCQNYEHHJFU-UHFFFAOYSA-N 1 0 289.360 2.400 10 0 CEAERO C[N@@H+]1CCC[C@H](Nc2ccc3ncccc3c2N)C1 ZINC000040715806 174382706 /nfs/dbraw/zinc/38/27/06/174382706.db2.gz YOROHNUJXURQJJ-NSHDSACASA-N 1 0 256.353 2.323 10 0 CEAERO CC(C)Cc1ccc([C@@H]([NH3+])CN2C(=O)C[C@@H](C)C2=O)cc1 ZINC000040739864 174390528 /nfs/dbraw/zinc/39/05/28/174390528.db2.gz LZEJLXFDQMUYSV-DOMZBBRYSA-N 1 0 288.391 2.280 10 0 CEAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(Cl)cn1C1CC1 ZINC000040740561 174390606 /nfs/dbraw/zinc/39/06/06/174390606.db2.gz PGRQJIGAXPIZSW-FOSCPWQOSA-N 1 0 293.798 2.489 10 0 CEAERO CN(c1cc2ccccc2c(=O)[nH]1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747359 174392655 /nfs/dbraw/zinc/39/26/55/174392655.db2.gz MIMVUNYYOXAOLO-PBWFPOADSA-N 1 0 283.375 2.247 10 0 CEAERO CCN(C(=O)Cc1cccc(F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747783 174393056 /nfs/dbraw/zinc/39/30/56/174393056.db2.gz XQKSTOVSWDAWIG-XYPWUTKMSA-N 1 0 290.382 2.500 10 0 CEAERO CCN(CC(=O)N(C)C1=CCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748332 174393395 /nfs/dbraw/zinc/39/33/95/174393395.db2.gz LDYPHGWUGDJIRO-MZBDJJRSSA-N 1 0 291.439 2.118 10 0 CEAERO CCCN(c1ccccc1C(N)=O)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748859 174393635 /nfs/dbraw/zinc/39/36/35/174393635.db2.gz IDFORHPSADWQAT-PBWFPOADSA-N 1 0 287.407 2.285 10 0 CEAERO COc1cc(C(=O)N2[C@@H]3CC[C@H]2CC([NH3+])C3)ccc1C ZINC000040749682 174394287 /nfs/dbraw/zinc/39/42/87/174394287.db2.gz FXPKAMSNZYHHQI-AGUYFDCRSA-N 1 0 274.364 2.098 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2c1ncnc2sccc21 ZINC000040750499 174395509 /nfs/dbraw/zinc/39/55/09/174395509.db2.gz QIKRDXIBGQBNJM-PBINXNQUSA-N 1 0 260.366 2.150 10 0 CEAERO CN(C)Nc1[nH+]cnc(Nc2ccccc2Cl)c1N ZINC000040759948 174396946 /nfs/dbraw/zinc/39/69/46/174396946.db2.gz YIJJSNKXJCWFGF-UHFFFAOYSA-N 1 0 278.747 2.344 10 0 CEAERO C[C@H]1C[C@@H](O)C[N@H+](Cc2ccnc3ccccc23)C1 ZINC000401700593 414754650 /nfs/dbraw/zinc/75/46/50/414754650.db2.gz NKXRGBXZKMVSDD-GXTWGEPZSA-N 1 0 256.349 2.438 10 0 CEAERO C[C@@H](NC(=O)[C@@]1(C)CC[NH2+]C1)c1cc(F)ccc1F ZINC000062891815 414758405 /nfs/dbraw/zinc/75/84/05/414758405.db2.gz ZIKGLRAFYWRNMB-OTYXRUKQSA-N 1 0 268.307 2.142 10 0 CEAERO CC(=O)c1cc(F)ccc1N1CC[C@@H]([NH+](C)C)C1 ZINC000062965977 414761198 /nfs/dbraw/zinc/76/11/98/414761198.db2.gz JCSFYDKMTSLSKW-GFCCVEGCSA-N 1 0 250.317 2.169 10 0 CEAERO C[C@H]1CCC[C@]([NH3+])(c2nc(-c3ccccn3)no2)C1 ZINC000041035573 174458555 /nfs/dbraw/zinc/45/85/55/174458555.db2.gz IOKZXJMUZDKEDI-IINYFYTJSA-N 1 0 258.325 2.496 10 0 CEAERO C[C@@H](NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)C(C)(C)C ZINC000115827866 414779930 /nfs/dbraw/zinc/77/99/30/414779930.db2.gz CEJXNKIDWRVLFF-OLZOCXBDSA-N 1 0 269.433 2.404 10 0 CEAERO CCCN(CC[NH3+])C(=O)c1ccc(OCC)c(OCC)c1 ZINC000041160553 174502640 /nfs/dbraw/zinc/50/26/40/174502640.db2.gz SNPUAUAUPDSRJO-UHFFFAOYSA-N 1 0 294.395 2.295 10 0 CEAERO Cc1ccc(C)c(OCC[NH2+]CCN(C)C)c1C ZINC000041307613 174516431 /nfs/dbraw/zinc/51/64/31/174516431.db2.gz LAFOVAYJKZOACY-UHFFFAOYSA-N 1 0 250.386 2.142 10 0 CEAERO CC(C)(CNC(=O)NCc1ccccc1)[NH+]1CCCC1 ZINC000041309452 174516831 /nfs/dbraw/zinc/51/68/31/174516831.db2.gz OKYPQDGRSYBDAV-UHFFFAOYSA-N 1 0 275.396 2.360 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1CC2CCC1CC2 ZINC000400112621 414747315 /nfs/dbraw/zinc/74/73/15/414747315.db2.gz KYYWCEHZGUIUKM-HGSUQPQSSA-N 1 0 264.413 2.304 10 0 CEAERO C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CCc2ccccc21 ZINC000404846570 414790892 /nfs/dbraw/zinc/79/08/92/414790892.db2.gz PAAAMYPVOMIOHL-BPLDGKMQSA-N 1 0 272.392 2.302 10 0 CEAERO C[NH+](C)CCC(=O)NCc1ccccc1-c1nccs1 ZINC000041536532 174566297 /nfs/dbraw/zinc/56/62/97/174566297.db2.gz VGQQHKRZTQOTKJ-UHFFFAOYSA-N 1 0 289.404 2.378 10 0 CEAERO Cc1ccc(CCC(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)cc1 ZINC000662980043 414816872 /nfs/dbraw/zinc/81/68/72/414816872.db2.gz YKYOSANPPNULRX-LBPRGKRZSA-N 1 0 288.313 2.276 10 0 CEAERO CN(C(=O)c1cccc2cc[nH]c21)[C@@H](C[NH3+])C(F)(F)F ZINC000662986683 414818044 /nfs/dbraw/zinc/81/80/44/414818044.db2.gz IAIYQFHFRUJYPA-JTQLQIEISA-N 1 0 285.269 2.130 10 0 CEAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccnc2ccccc21 ZINC000132560732 414823153 /nfs/dbraw/zinc/82/31/53/414823153.db2.gz DAUONVIMCWQXSE-FUNVUKJBSA-N 1 0 281.359 2.248 10 0 CEAERO CC[NH2+][C@H](C)c1cccc(NC(=O)NCCC(=O)OC)c1 ZINC000041717955 174616280 /nfs/dbraw/zinc/61/62/80/174616280.db2.gz WURKHHGOOMJFGL-LLVKDONJSA-N 1 0 293.367 2.042 10 0 CEAERO CC(=O)c1ccc(NC(=O)CC[C@H]2CCC[NH2+]2)cc1 ZINC000312091286 414862431 /nfs/dbraw/zinc/86/24/31/414862431.db2.gz PTJTZPOAUJTXCD-CYBMUJFWSA-N 1 0 260.337 2.360 10 0 CEAERO COc1ccccc1[C@@H](C)N(C)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000042169205 174650421 /nfs/dbraw/zinc/65/04/21/174650421.db2.gz NAYDIGDMAAGVHZ-OLZOCXBDSA-N 1 0 276.380 2.357 10 0 CEAERO O=C(NC1CCCCCC1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653057015 414889708 /nfs/dbraw/zinc/88/97/08/414889708.db2.gz JMZLZOWBFALOEY-GHMZBOCLSA-N 1 0 278.318 2.223 10 0 CEAERO Cc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)cc1F ZINC000653057211 414889982 /nfs/dbraw/zinc/88/99/82/414889982.db2.gz UGWHMFCMMHGVDP-NXEZZACHSA-N 1 0 290.260 2.471 10 0 CEAERO O=C(Nc1cc(F)cc(F)c1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653063150 414893027 /nfs/dbraw/zinc/89/30/27/414893027.db2.gz YOLKAVDETBMYGK-NXEZZACHSA-N 1 0 294.223 2.301 10 0 CEAERO C[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)[C@H]1C ZINC000653446125 414997016 /nfs/dbraw/zinc/99/70/16/414997016.db2.gz PMZRARZOJYNGMN-LMLFDSFASA-N 1 0 278.318 2.031 10 0 CEAERO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(C(N)=O)cc1F ZINC000042556277 174792608 /nfs/dbraw/zinc/79/26/08/174792608.db2.gz CJJBOKKCWLETCA-UWVGGRQHSA-N 1 0 252.333 2.449 10 0 CEAERO Cc1cc(C)c(C[NH2+]C[C@H]2CC(=O)N(C)C2)c(C)c1 ZINC000657694437 415050319 /nfs/dbraw/zinc/05/03/19/415050319.db2.gz MVXUTYBXTJNNML-CQSZACIVSA-N 1 0 260.381 2.180 10 0 CEAERO CN1C[C@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2)CC1=O ZINC000657694332 415051359 /nfs/dbraw/zinc/05/13/59/415051359.db2.gz JURIDGAKPNSDEF-NSHDSACASA-N 1 0 286.297 2.273 10 0 CEAERO CN1C[C@H](C[NH2+]Cc2csc(C(C)(C)C)n2)CC1=O ZINC000657698589 415053205 /nfs/dbraw/zinc/05/32/05/415053205.db2.gz XJHANNZQBIPXDO-JTQLQIEISA-N 1 0 281.425 2.009 10 0 CEAERO CN1C[C@@H](C[NH2+]Cc2cnc(C(C)(C)C)s2)CC1=O ZINC000657696873 415053625 /nfs/dbraw/zinc/05/36/25/415053625.db2.gz LJDJWGIMMIECFJ-SNVBAGLBSA-N 1 0 281.425 2.009 10 0 CEAERO CN1C[C@H](C[NH2+]Cc2csc3ccccc23)CC1=O ZINC000657697206 415053707 /nfs/dbraw/zinc/05/37/07/415053707.db2.gz NUGYKLROPMMXQV-NSHDSACASA-N 1 0 274.389 2.469 10 0 CEAERO COC(=O)CN(C(=O)Nc1ccc([C@H](C)[NH3+])cc1)C(C)C ZINC000042728490 174858086 /nfs/dbraw/zinc/85/80/86/174858086.db2.gz PZZMBLAOBJBOCW-NSHDSACASA-N 1 0 293.367 2.122 10 0 CEAERO COC(=O)CS[C@H](c1ccc(C)cc1)[C@@H](C)[NH3+] ZINC000042912374 174910642 /nfs/dbraw/zinc/91/06/42/174910642.db2.gz LDSUNTMASCBJKM-MFKMUULPSA-N 1 0 253.367 2.290 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](SCCO)c1cccc(OC)c1 ZINC000043032733 174949336 /nfs/dbraw/zinc/94/93/36/174949336.db2.gz GSXJTGVQKGTCNS-OLZOCXBDSA-N 1 0 255.383 2.199 10 0 CEAERO O=C1NCCC[C@H]1[NH2+]C1CCC(C2CCC2)CC1 ZINC000657860541 415107094 /nfs/dbraw/zinc/10/70/94/415107094.db2.gz JDWVIHPRWYJRME-JXQTWKCFSA-N 1 0 250.386 2.214 10 0 CEAERO Cc1ccccc1[C@@H]([C@H](C)[NH3+])N1CCC(CO)CC1 ZINC000043034322 174949610 /nfs/dbraw/zinc/94/96/10/174949610.db2.gz HTXVDDOUBCGCNJ-XJKSGUPXSA-N 1 0 262.397 2.088 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1cccs1)N1CCOC[C@@H]1C ZINC000043103791 174969766 /nfs/dbraw/zinc/96/97/66/174969766.db2.gz IEIQUTNUEJTIBO-GVXVVHGQSA-N 1 0 254.399 2.247 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1cccs1)N1CCOC(C)(C)C1 ZINC000043104643 174970075 /nfs/dbraw/zinc/97/00/75/174970075.db2.gz GLZFSYWLNNHCOM-PWSUYJOCSA-N 1 0 254.399 2.247 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccsc1)N(CC(N)=O)C1CCCC1 ZINC000043123804 174976708 /nfs/dbraw/zinc/97/67/08/174976708.db2.gz DWIBHRQYOCHAOO-DZGCQCFKSA-N 1 0 295.452 2.256 10 0 CEAERO [NH3+][C@@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043299973 175000767 /nfs/dbraw/zinc/00/07/67/175000767.db2.gz NBZSYMMJUZUFBA-KCJUWKMLSA-N 1 0 294.203 2.428 10 0 CEAERO CCCCCC[C@H]([NH2+]CC)[C@@H]1CCS(=O)(=O)C1 ZINC000043300865 175001299 /nfs/dbraw/zinc/00/12/99/175001299.db2.gz AJIUAKCMVJVXLR-OLZOCXBDSA-N 1 0 261.431 2.370 10 0 CEAERO COc1ccc(OC(F)F)c(N[C@H]2CCC[NH2+]C2)c1 ZINC000043326336 175007516 /nfs/dbraw/zinc/00/75/16/175007516.db2.gz JXJPECCEYVPWNO-VIFPVBQESA-N 1 0 272.295 2.461 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccccn1)N(C)Cc1cc(C)on1 ZINC000043339484 175013545 /nfs/dbraw/zinc/01/35/45/175013545.db2.gz FTJXQARMCSTFDY-HIFRSBDPSA-N 1 0 274.368 2.288 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccccn1)N(C)Cc1cscn1 ZINC000043341222 175015242 /nfs/dbraw/zinc/01/52/42/175015242.db2.gz UJAIEICEZUIVHT-OCCSQVGLSA-N 1 0 276.409 2.449 10 0 CEAERO C[C@H]([NH3+])[C@H](c1ccccn1)N(C)Cc1cscn1 ZINC000043341216 175015361 /nfs/dbraw/zinc/01/53/61/175015361.db2.gz BZCCYLGTQDOLAA-GXFFZTMASA-N 1 0 262.382 2.058 10 0 CEAERO CCCCOCCO[C@H](c1ccccn1)[C@@H](C)[NH3+] ZINC000043343336 175015971 /nfs/dbraw/zinc/01/59/71/175015971.db2.gz OXRUSEXYRRYZBE-OCCSQVGLSA-N 1 0 252.358 2.303 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](OC[C@@H]1CCCCO1)c1ccccn1 ZINC000043342876 175015975 /nfs/dbraw/zinc/01/59/75/175015975.db2.gz GOGMCGJGCYDKNE-GZBFAFLISA-N 1 0 264.369 2.446 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1cnn(C)c1)c1ccccn1 ZINC000043345362 175017098 /nfs/dbraw/zinc/01/70/98/175017098.db2.gz LRJNEGIBWQCKFW-AAEUAGOBSA-N 1 0 262.382 2.386 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1cccnc1)N(C)Cc1ccncc1 ZINC000043346483 175017306 /nfs/dbraw/zinc/01/73/06/175017306.db2.gz JPOONLDQOLQHRM-HZPDHXFCSA-N 1 0 270.380 2.387 10 0 CEAERO CC[C@@H]([NH3+])[C@H](OC[C@@H]1CCCO1)c1cccnc1 ZINC000043350149 175019113 /nfs/dbraw/zinc/01/91/13/175019113.db2.gz YLHXWDWPZLBWBU-BFHYXJOUSA-N 1 0 250.342 2.056 10 0 CEAERO C[C@@H]([NH3+])[C@H](OCCc1ccccn1)c1cccnc1 ZINC000043350951 175019954 /nfs/dbraw/zinc/01/99/54/175019954.db2.gz CWMOLMFLSQOROX-DOMZBBRYSA-N 1 0 257.337 2.124 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccncc1)N(CCO)C1CCCC1 ZINC000043354626 175022395 /nfs/dbraw/zinc/02/23/95/175022395.db2.gz KWMPFWARSJDPQN-HZPDHXFCSA-N 1 0 277.412 2.097 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Oc1ccccc1C(N)=O)c1ccncc1 ZINC000043355747 175023549 /nfs/dbraw/zinc/02/35/49/175023549.db2.gz BHNWTWUDHWAVRX-ZFWWWQNUSA-N 1 0 285.347 2.038 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Oc1ccc(C(N)=O)cc1)c1ccncc1 ZINC000043355892 175023595 /nfs/dbraw/zinc/02/35/95/175023595.db2.gz ZZSDRMJEMOWSKB-CABCVRRESA-N 1 0 285.347 2.038 10 0 CEAERO Cc1nnc(S[C@H](C[NH3+])c2ccncc2)s1 ZINC000043363497 175023999 /nfs/dbraw/zinc/02/39/99/175023999.db2.gz ZDNAYKJTUMGDOW-SECBINFHSA-N 1 0 252.368 2.034 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccc(C)o1)N1CCC(CO)CC1 ZINC000043364004 175024434 /nfs/dbraw/zinc/02/44/34/175024434.db2.gz OVSGGGHRCOUOKI-DZGCQCFKSA-N 1 0 266.385 2.071 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)N(C)C1CCOCC1 ZINC000043364463 175025546 /nfs/dbraw/zinc/02/55/46/175025546.db2.gz YWRCEUFKVPPQKT-HIFRSBDPSA-N 1 0 266.385 2.477 10 0 CEAERO Cc1ccc([C@H]([C@@H](C)[NH3+])N(CCO)C2CCCC2)o1 ZINC000043365201 175026015 /nfs/dbraw/zinc/02/60/15/175026015.db2.gz JREATOBTYMGGAC-DOMZBBRYSA-N 1 0 266.385 2.213 10 0 CEAERO Cc1ccc([C@@H](C[NH3+])Oc2ccc(S(C)(=O)=O)cc2)o1 ZINC000043366987 175027122 /nfs/dbraw/zinc/02/71/22/175027122.db2.gz ICGWDFNPQXETQV-CQSZACIVSA-N 1 0 295.360 2.070 10 0 CEAERO Cc1ccc([C@@H]([C@@H](C)[NH3+])n2nnc(-c3ccccc3)n2)o1 ZINC000043365502 175027229 /nfs/dbraw/zinc/02/72/29/175027229.db2.gz LLDNOHOIEOQGNY-BXUZGUMPSA-N 1 0 283.335 2.178 10 0 CEAERO Cc1ccc([C@@H](C[NH3+])Sc2nc(C)cc(=O)[nH]2)o1 ZINC000043367363 175027733 /nfs/dbraw/zinc/02/77/33/175027733.db2.gz DPBZKZXMKUBVSY-SNVBAGLBSA-N 1 0 265.338 2.184 10 0 CEAERO CC[C@H]([NH3+])[C@H](N(C)Cc1ccoc1)C(F)(F)F ZINC000043378249 175030413 /nfs/dbraw/zinc/03/04/13/175030413.db2.gz FDSSSCRUWOXVNF-UWVGGRQHSA-N 1 0 250.264 2.380 10 0 CEAERO C[C@H]([NH3+])[C@@H](N(CC(F)(F)F)C1CC1)C(F)(F)F ZINC000043379269 175030848 /nfs/dbraw/zinc/03/08/48/175030848.db2.gz NMWIHAKEVGLNTR-CAHLUQPWSA-N 1 0 264.213 2.291 10 0 CEAERO CC[C@H]([NH3+])[C@H](N(CC)[C@@H](C)COC)C(F)(F)F ZINC000043379235 175030919 /nfs/dbraw/zinc/03/09/19/175030919.db2.gz NGYIDOZCEWWDNZ-GUBZILKMSA-N 1 0 256.312 2.011 10 0 CEAERO C[C@@H]([NH3+])[C@H](n1ccc(C(F)(F)F)n1)C(F)(F)F ZINC000043383175 175031283 /nfs/dbraw/zinc/03/12/83/175031283.db2.gz DJLSWANBTJYBNB-XINAWCOVSA-N 1 0 261.169 2.353 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](c2nc(-c3cc(F)cc(F)c3)no2)C1 ZINC000043387535 175033133 /nfs/dbraw/zinc/03/31/33/175033133.db2.gz PUULPVMVDNBZDT-GHMZBOCLSA-N 1 0 281.262 2.064 10 0 CEAERO CC[NH2+][C@H](c1cc(C)cc(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043393201 175034275 /nfs/dbraw/zinc/03/42/75/175034275.db2.gz ZJCACTFUSXQYBG-HIFRSBDPSA-N 1 0 281.421 2.389 10 0 CEAERO C[NH2+][C@H](CN1CCCC1)c1cc(OC)ccc1OC ZINC000043807058 175108400 /nfs/dbraw/zinc/10/84/00/175108400.db2.gz DJOOYKGQJRDNRT-CQSZACIVSA-N 1 0 264.369 2.060 10 0 CEAERO CCCCN(C)C[C@@H]([NH2+]C)c1ccc2c(c1)OCO2 ZINC000043816734 175112399 /nfs/dbraw/zinc/11/23/99/175112399.db2.gz ADCCEETUAOVZIY-CYBMUJFWSA-N 1 0 264.369 2.408 10 0 CEAERO CCCCN(C)C[C@@H]([NH2+]C)c1ccc2c(c1)OCCO2 ZINC000043816746 175112486 /nfs/dbraw/zinc/11/24/86/175112486.db2.gz MLHYDKJKEHMBNJ-CQSZACIVSA-N 1 0 278.396 2.450 10 0 CEAERO C[NH2+][C@@H](CN(C)C1CC1)c1ccc(OC)c(OC)c1 ZINC000043822797 175114514 /nfs/dbraw/zinc/11/45/14/175114514.db2.gz JDNPWHNTMJTSBU-ZDUSSCGKSA-N 1 0 264.369 2.059 10 0 CEAERO CCN(C[C@@H]([NH2+]C)c1ccc(OC)c(OC)c1)C1CC1 ZINC000043821485 175114568 /nfs/dbraw/zinc/11/45/68/175114568.db2.gz TVIZBVJKTABNEM-CQSZACIVSA-N 1 0 278.396 2.449 10 0 CEAERO CC[NH2+][C@H](CN1CCC(OC)CC1)c1ccccc1 ZINC000043890137 175117651 /nfs/dbraw/zinc/11/76/51/175117651.db2.gz OAUPNEQVHXGAQV-MRXNPFEDSA-N 1 0 262.397 2.448 10 0 CEAERO C[NH2+][C@H](c1ccccc1)[C@H](C)N1CCC(OC)CC1 ZINC000043889888 175117878 /nfs/dbraw/zinc/11/78/78/175117878.db2.gz QYJARMRRTUQJJD-BBRMVZONSA-N 1 0 262.397 2.446 10 0 CEAERO C[NH2+][C@@H](CN1CCOC[C@@H]1C)c1ccc(C)c(C)c1 ZINC000043891216 175118220 /nfs/dbraw/zinc/11/82/20/175118220.db2.gz CPWHILPLWBMIEW-HOCLYGCPSA-N 1 0 262.397 2.285 10 0 CEAERO CC[NH2+][C@@H](CN1CCOC[C@@H]1CC)c1cccc(OC)c1 ZINC000043899200 175121818 /nfs/dbraw/zinc/12/18/18/175121818.db2.gz PNOURDBPJLWAEH-RDJZCZTQSA-N 1 0 292.423 2.457 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2C[C@@H]1N(C)CCc1ccncc1 ZINC000043901906 175122132 /nfs/dbraw/zinc/12/21/32/175122132.db2.gz AMHGWGQYZVBJOQ-ZWKOTPCHSA-N 1 0 281.403 2.441 10 0 CEAERO CC[NH2+][C@H](CN(C)CCOC)c1ccc(C)cc1 ZINC000043915712 175125035 /nfs/dbraw/zinc/12/50/35/175125035.db2.gz ARDOLGFOERDLEH-OAHLLOKOSA-N 1 0 250.386 2.224 10 0 CEAERO CC[C@H]([C@H]([NH2+]C)c1ccccc1)N(C)CCOC ZINC000043915573 175125076 /nfs/dbraw/zinc/12/50/76/175125076.db2.gz NAJQJODMXCLSKK-HUUCEWRRSA-N 1 0 250.386 2.304 10 0 CEAERO C[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)N(C)CCOC ZINC000043915450 175125235 /nfs/dbraw/zinc/12/52/35/175125235.db2.gz VHTZYKWLISNYGT-DZGCQCFKSA-N 1 0 250.386 2.222 10 0 CEAERO CC[NH2+][C@H](CN(C)C[C@@H]1CCCO1)c1cccc(OC)c1 ZINC000043966107 175126937 /nfs/dbraw/zinc/12/69/37/175126937.db2.gz RXFLRONSMKXFCK-DLBZAZTESA-N 1 0 292.423 2.457 10 0 CEAERO C[NH2+][C@@H](CN(C)C[C@@H]1CCCO1)c1ccccc1C ZINC000043965867 175127109 /nfs/dbraw/zinc/12/71/09/175127109.db2.gz MPIKDHYRRZNCKK-HOCLYGCPSA-N 1 0 262.397 2.366 10 0 CEAERO CC[NH2+][C@H]1CCCCC[C@@H]1N(C)Cc1cnn(C)c1 ZINC000043967238 175128351 /nfs/dbraw/zinc/12/83/51/175128351.db2.gz GGBMLQOBSKLZKM-GJZGRUSLSA-N 1 0 264.417 2.163 10 0 CEAERO CCCN(CC1CC1)[C@@H]1CC2(CC[C@@H]1[NH2+]CC)OCCO2 ZINC000043967451 175128377 /nfs/dbraw/zinc/12/83/77/175128377.db2.gz YGFXGTSBFJGTCG-JKSUJKDBSA-N 1 0 296.455 2.382 10 0 CEAERO CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N(C)Cc1cnn(C)c1 ZINC000043967294 175128464 /nfs/dbraw/zinc/12/84/64/175128464.db2.gz LBBQHMLIZHPZAY-KBMXLJTQSA-N 1 0 278.444 2.409 10 0 CEAERO CCCCN(C1CC1)[C@@H]1CC2(CC[C@@H]1[NH2+]C)OCCO2 ZINC000043968094 175128921 /nfs/dbraw/zinc/12/89/21/175128921.db2.gz KTYVTJVHUXWVLD-LSDHHAIUSA-N 1 0 282.428 2.135 10 0 CEAERO C[NH2+][C@@H]1CCCCCC[C@@H]1N(CCOC)C1CC1 ZINC000043969649 175130174 /nfs/dbraw/zinc/13/01/74/175130174.db2.gz AWIMRAFNVOQYOI-CABCVRRESA-N 1 0 254.418 2.408 10 0 CEAERO CCO[C@@H]1CCCN([C@@H]2COc3ccccc3[C@@H]2[NH2+]C)C1 ZINC000043971460 175132793 /nfs/dbraw/zinc/13/27/93/175132793.db2.gz YHPBYIRISXMVSG-UNEWFSDZSA-N 1 0 290.407 2.209 10 0 CEAERO [NH3+][C@@H]1CCCc2cc(OCC(=O)N3CCCCC3)ccc21 ZINC000044744984 175241715 /nfs/dbraw/zinc/24/17/15/175241715.db2.gz MSJXKGDVOQBEON-MRXNPFEDSA-N 1 0 288.391 2.414 10 0 CEAERO CC(=O)N1CCC([NH2+][C@H]2CCCc3cc(O)ccc32)CC1 ZINC000044747269 175242734 /nfs/dbraw/zinc/24/27/34/175242734.db2.gz JNKJMJXMTPLSKR-KRWDZBQOSA-N 1 0 288.391 2.370 10 0 CEAERO CCN(CC(C)C)C(=O)[C@H](C[NH3+])Cc1ccccc1 ZINC000044800608 175255422 /nfs/dbraw/zinc/25/54/22/175255422.db2.gz LFCGEPISEFBNAH-HNNXBMFYSA-N 1 0 262.397 2.309 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000044802482 175256287 /nfs/dbraw/zinc/25/62/87/175256287.db2.gz UWNBRSKWFRRVEX-MELADBBJSA-N 1 0 252.402 2.400 10 0 CEAERO CC[C@H](C)N(CCOC)C(=O)[C@@H](C[NH3+])Cc1ccccc1 ZINC000044807649 175257132 /nfs/dbraw/zinc/25/71/32/175257132.db2.gz ABBHHUGVLICEPA-GOEBONIOSA-N 1 0 292.423 2.078 10 0 CEAERO CCN(C(=O)[C@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC000044880543 175269681 /nfs/dbraw/zinc/26/96/81/175269681.db2.gz ZTJHUYXJWYTFRH-NSHDSACASA-N 1 0 250.317 2.178 10 0 CEAERO C[C@H]1CCC[C@@H](c2noc([C@@H]3C[NH2+]CCO3)n2)C1 ZINC000044978795 175282994 /nfs/dbraw/zinc/28/29/94/175282994.db2.gz TUCNMPGTYDSHRA-AXFHLTTASA-N 1 0 251.330 2.024 10 0 CEAERO CCCOc1ccc([C@H](C)[NH2+]CCC(=O)NC)cc1 ZINC000044988077 175285022 /nfs/dbraw/zinc/28/50/22/175285022.db2.gz LABWYVYMZINADG-LBPRGKRZSA-N 1 0 264.369 2.262 10 0 CEAERO C[C@H](C[NH2+]CC(=O)Nc1ccc(F)cc1)N1CCCCC1 ZINC000044993432 175286684 /nfs/dbraw/zinc/28/66/84/175286684.db2.gz AENKJOBZTRFSLC-CYBMUJFWSA-N 1 0 293.386 2.228 10 0 CEAERO Cc1nccc(CNC2=[NH+][C@H](CC(C)C)CS2)n1 ZINC000045005739 175288397 /nfs/dbraw/zinc/28/83/97/175288397.db2.gz XDILZEWDTRIFMH-GFCCVEGCSA-N 1 0 264.398 2.392 10 0 CEAERO CCOC(=O)[C@@](C)(CCOC)NC1CCCCC1 ZINC000045044378 175295462 /nfs/dbraw/zinc/29/54/62/175295462.db2.gz JUFGXCJLWNSWOH-CQSZACIVSA-N 1 0 257.374 2.267 10 0 CEAERO Nc1[nH+]c2cc(F)ccc2n1CCCCn1ccnc1 ZINC000045108608 175308702 /nfs/dbraw/zinc/30/87/02/175308702.db2.gz PWPCSUWBJZJQOJ-UHFFFAOYSA-N 1 0 273.315 2.435 10 0 CEAERO CC[NH2+][C@@H](C)c1cccc(S(=O)(=O)N[C@@H]2CC2(C)C)c1 ZINC000045138150 175314913 /nfs/dbraw/zinc/31/49/13/175314913.db2.gz OOXLYFUQYPMFPF-SMDDNHRTSA-N 1 0 296.436 2.434 10 0 CEAERO CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000045171870 175321295 /nfs/dbraw/zinc/32/12/95/175321295.db2.gz PPLSERNSKPXYJD-NEPJUHHUSA-N 1 0 294.443 2.475 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+][C@H](C)Cn2cccn2)c1C ZINC000045171224 175321330 /nfs/dbraw/zinc/32/13/30/175321330.db2.gz VTRJTEJVVASTRY-VXGBXAGGSA-N 1 0 275.400 2.456 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)N[C@H](C)CC[NH+](C)C ZINC000045172571 175321531 /nfs/dbraw/zinc/32/15/31/175321531.db2.gz MAEXBJMECXHDKF-GHMZBOCLSA-N 1 0 252.406 2.028 10 0 CEAERO CC1(C)CSC(NCc2ccc(S(C)(=O)=O)cc2)=[NH+]1 ZINC000045173910 175323059 /nfs/dbraw/zinc/32/30/59/175323059.db2.gz CKRWXTGMCPONDR-UHFFFAOYSA-N 1 0 298.433 2.061 10 0 CEAERO CCC[NH2+][C@](C)(CCN1c2ccccc2C[C@@H]1C)C(N)=O ZINC000045222715 175330614 /nfs/dbraw/zinc/33/06/14/175330614.db2.gz OVFOJQHXWKGYPD-SUMWQHHRSA-N 1 0 289.423 2.071 10 0 CEAERO COC(=O)[C@@](N)(C[NH+]1CCCCCCC1)c1ccccc1 ZINC000045223602 175331313 /nfs/dbraw/zinc/33/13/13/175331313.db2.gz BOBLUQUZTQBUHW-QGZVFWFLSA-N 1 0 290.407 2.280 10 0 CEAERO CCN[C@](C)(C[N@H+](CC)C1CCCCC1)C(=O)OC ZINC000045224049 175332240 /nfs/dbraw/zinc/33/22/40/175332240.db2.gz QCYXBJWYAGIMMA-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CCCN[C@](C)(C[NH+]1CCC(C)CC1)C(=O)OCC ZINC000045225434 175332629 /nfs/dbraw/zinc/33/26/29/175332629.db2.gz LAQOFBDCMDTVPP-OAHLLOKOSA-N 1 0 270.417 2.040 10 0 CEAERO CCCN[C@@](C)(C[NH+]1CCC(C)CC1)C(=O)OCC ZINC000045225432 175333020 /nfs/dbraw/zinc/33/30/20/175333020.db2.gz LAQOFBDCMDTVPP-HNNXBMFYSA-N 1 0 270.417 2.040 10 0 CEAERO CC(C)[NH2+][C@@](C)(CC[N@@H+]1CCCC[C@@H]1C)C(=O)[O-] ZINC000045227038 175333555 /nfs/dbraw/zinc/33/35/55/175333555.db2.gz WPLINVYXJBFIQD-JSGCOSHPSA-N 1 0 256.390 2.092 10 0 CEAERO COC(=O)[C@](C[N@H+](C)C(C)C)(NC(C)C)c1ccccc1 ZINC000045229394 175334039 /nfs/dbraw/zinc/33/40/39/175334039.db2.gz RQWIIPABVNMEKX-QGZVFWFLSA-N 1 0 292.423 2.393 10 0 CEAERO CCC[NH+](CCC)C[C@](NCC)(C(N)=O)c1ccccc1 ZINC000045230233 175334244 /nfs/dbraw/zinc/33/42/44/175334244.db2.gz JZZCXINJRPWISJ-QGZVFWFLSA-N 1 0 291.439 2.099 10 0 CEAERO CCCN[C@@](C[N@H+](C)[C@@H](C)CC)(C(N)=O)c1ccccc1 ZINC000045263796 175337957 /nfs/dbraw/zinc/33/79/57/175337957.db2.gz HOYOUYAFFGBYNW-WMLDXEAASA-N 1 0 291.439 2.097 10 0 CEAERO CCOC(=O)[C@](C)(CC[N@H+](C)C1CCCC1)NC1CC1 ZINC000045266300 175338875 /nfs/dbraw/zinc/33/88/75/175338875.db2.gz UZCPVRSNNJRVRP-INIZCTEOSA-N 1 0 282.428 2.325 10 0 CEAERO CCN[C@@](C)(CC[N@H+](C)C1CCCC1)C(=O)OCC ZINC000045266261 175338884 /nfs/dbraw/zinc/33/88/84/175338884.db2.gz WWDSUPTWLWXOTK-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO COC(=O)[C@@](C)(CC[N@H+](C)C1CCCC1)NC(C)C ZINC000045266283 175339074 /nfs/dbraw/zinc/33/90/74/175339074.db2.gz WZFKLERFYVMVTA-OAHLLOKOSA-N 1 0 270.417 2.181 10 0 CEAERO CCC[N@H+](CC[C@](C)(NCC)C(=O)OC)C(C)C ZINC000045266922 175339393 /nfs/dbraw/zinc/33/93/93/175339393.db2.gz ABCXQSINUKPHPP-AWEZNQCLSA-N 1 0 258.406 2.038 10 0 CEAERO CCCN[C@@](C)(CC[N@H+](CC)CCC)C(=O)OC ZINC000045267697 175339626 /nfs/dbraw/zinc/33/96/26/175339626.db2.gz CGQNMGBBPDGZDK-AWEZNQCLSA-N 1 0 258.406 2.040 10 0 CEAERO CCCCC[N@H+](C)CC[C@@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045268196 175340895 /nfs/dbraw/zinc/34/08/95/175340895.db2.gz ZAPWLAQNFAGWOA-CQSZACIVSA-N 1 0 258.406 2.340 10 0 CEAERO CCC(CC)[N@H+](C)CC[C@@](C)(NC1CC1)C(=O)OC ZINC000045269758 175341234 /nfs/dbraw/zinc/34/12/34/175341234.db2.gz WVIHSBBTUQETJY-OAHLLOKOSA-N 1 0 270.417 2.181 10 0 CEAERO CCOC(=O)[C@](C)(C[N@@H+]1CCC[C@@H](CC)C1)NC(C)C ZINC000045270478 175342150 /nfs/dbraw/zinc/34/21/50/175342150.db2.gz WIYSNGZEXGFTAA-ZBFHGGJFSA-N 1 0 284.444 2.428 10 0 CEAERO CCCN[C@](C)(C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)OC ZINC000045272093 175343483 /nfs/dbraw/zinc/34/34/83/175343483.db2.gz OQASZOKORXBVHO-ZMSDIMECSA-N 1 0 296.455 2.430 10 0 CEAERO CCC[NH2+][C@@](C)(CC[N@H+](C)CC(C)(C)C)C(=O)[O-] ZINC000045279361 175349068 /nfs/dbraw/zinc/34/90/68/175349068.db2.gz AZGGFGBQMBRIPC-AWEZNQCLSA-N 1 0 258.406 2.197 10 0 CEAERO CCN[C@](C)(C[N@H+](C)[C@@H]1CCCC[C@@H]1C)C(=O)OCC ZINC000045279016 175349243 /nfs/dbraw/zinc/34/92/43/175349243.db2.gz JDSUUSQSORAAEZ-SQWLQELKSA-N 1 0 284.444 2.428 10 0 CEAERO COC(=O)[C@](C)(C[N@H+](C)C1CCC(C)CC1)NC1CC1 ZINC000045280561 175350186 /nfs/dbraw/zinc/35/01/86/175350186.db2.gz XSXTUMWCBIUUCQ-PXCJXSSVSA-N 1 0 282.428 2.181 10 0 CEAERO COC(=O)[C@](N)(C[N@H+](CC(C)C)C(C)C)c1ccccc1 ZINC000045280647 175351403 /nfs/dbraw/zinc/35/14/03/175351403.db2.gz XPCGJKZCONFMBS-KRWDZBQOSA-N 1 0 292.423 2.380 10 0 CEAERO CCOC(=O)[C@@](C)(C[N@H+](C)CCC(C)C)NC1CC1 ZINC000045281252 175351853 /nfs/dbraw/zinc/35/18/53/175351853.db2.gz RMXWMNYRFMVCEK-OAHLLOKOSA-N 1 0 270.417 2.038 10 0 CEAERO CC[NH2+][C@](C)(CCCC[N@@H+]1CCC[C@@H]1C)C(=O)[O-] ZINC000045367731 175362807 /nfs/dbraw/zinc/36/28/07/175362807.db2.gz NNPQAXMGRUGKFJ-GXTWGEPZSA-N 1 0 256.390 2.094 10 0 CEAERO CCCC[N@H+](CC)CCC[C@@](C)(NC)C(=O)OCC ZINC000045370670 175364402 /nfs/dbraw/zinc/36/44/02/175364402.db2.gz ZWKSUIRMVHKXDI-OAHLLOKOSA-N 1 0 272.433 2.430 10 0 CEAERO CCOC(=O)[C@@](C)(CCC[NH+]1CCCC1)NC(C)C ZINC000045375404 175366130 /nfs/dbraw/zinc/36/61/30/175366130.db2.gz WCIRTSSBLKGHKU-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CCOC(=O)[C@@](C)(N)CCCC[N@@H+]1CCCC[C@@H]1C ZINC000045376064 175366429 /nfs/dbraw/zinc/36/64/29/175366429.db2.gz YENJWOFPLADLKV-ZFWWWQNUSA-N 1 0 270.417 2.312 10 0 CEAERO CC(C)[NH2+][C@](C)(CCC[NH+]1CCCCC1)C(=O)[O-] ZINC000045378310 175367560 /nfs/dbraw/zinc/36/75/60/175367560.db2.gz YNYMEDQPVWVVKZ-CQSZACIVSA-N 1 0 256.390 2.094 10 0 CEAERO CCN[C@@](C)(CCC[N@H+](C)[C@@H](C)CC)C(=O)OCC ZINC000045381426 175369748 /nfs/dbraw/zinc/36/97/48/175369748.db2.gz PBHVPWPYCGPXEF-ZFWWWQNUSA-N 1 0 272.433 2.428 10 0 CEAERO CCCN[C@@](C)(CCCC[N@H+](C)CCC)C(=O)OC ZINC000045382192 175370001 /nfs/dbraw/zinc/37/00/01/175370001.db2.gz CFBIFLIFPUSBBI-HNNXBMFYSA-N 1 0 272.433 2.430 10 0 CEAERO CCN[C@@](C)(CCCC[N@H+](CC)C(C)C)C(=O)OC ZINC000045383658 175371273 /nfs/dbraw/zinc/37/12/73/175371273.db2.gz CEAPJWCQJTYPRD-HNNXBMFYSA-N 1 0 272.433 2.428 10 0 CEAERO CC(C)[NH2+][C@@](C)(CCC[N@H+](C)C1CCCC1)C(=O)[O-] ZINC000045384789 175371816 /nfs/dbraw/zinc/37/18/16/175371816.db2.gz CCJJPGFKFJBQSA-HNNXBMFYSA-N 1 0 270.417 2.482 10 0 CEAERO CCC[N@H+](C[C@H](NC(C)C)C(=O)OCC)C(C)C ZINC000045385731 175371988 /nfs/dbraw/zinc/37/19/88/175371988.db2.gz RLMNCKROIPVDGY-ZDUSSCGKSA-N 1 0 258.406 2.037 10 0 CEAERO CCC[N@H+](CCC[C@@](C)([NH2+]CC)C(=O)[O-])C(C)C ZINC000045385936 175372426 /nfs/dbraw/zinc/37/24/26/175372426.db2.gz BOSBFIUXFSYIAY-CQSZACIVSA-N 1 0 258.406 2.340 10 0 CEAERO CCN[C@@](C)(CCCC[N@H+](CC)C1CC1)C(=O)OC ZINC000045386367 175372615 /nfs/dbraw/zinc/37/26/15/175372615.db2.gz IJJYFKWIMPIOMR-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CC[N@H+](CCC[C@@](C)(NC)C(=O)OC)C1CCCC1 ZINC000045390596 175374316 /nfs/dbraw/zinc/37/43/16/175374316.db2.gz IOISODYAJSACEJ-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO COC(=O)[C@@](C)([NH3+])CCCCN(CC(F)(F)F)C(C)C ZINC000045420485 175378602 /nfs/dbraw/zinc/37/86/02/175378602.db2.gz HHPWVCZPKZYJCG-LBPRGKRZSA-N 1 0 298.349 2.320 10 0 CEAERO CCC[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)[C@@H]1CC1(C)C ZINC000658240739 415274184 /nfs/dbraw/zinc/27/41/84/415274184.db2.gz JFSFMMPDHGEIRY-AVGNSLFASA-N 1 0 252.402 2.269 10 0 CEAERO Cc1ccsc1[C@H](C)[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000658245772 415281264 /nfs/dbraw/zinc/28/12/64/415281264.db2.gz VFWRHLYIAFNEEA-QWRGUYRKSA-N 1 0 252.383 2.185 10 0 CEAERO COc1ccc2c(c1)CN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)C2 ZINC000655502693 415312148 /nfs/dbraw/zinc/31/21/48/415312148.db2.gz UFMGSDISJXFIPC-RISCZKNCSA-N 1 0 274.364 2.055 10 0 CEAERO CC1(C)[C@H]([NH2+]C[C@H]2CCOC2(C)C)[C@@H]2CCO[C@@H]21 ZINC000658332464 415322304 /nfs/dbraw/zinc/32/23/04/415322304.db2.gz UOWPYMOUUCZLMW-XQHKEYJVSA-N 1 0 253.386 2.205 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]C2CC(CO)C2)C12CCCC2 ZINC000658354922 415335745 /nfs/dbraw/zinc/33/57/45/415335745.db2.gz FLISYTDACZXDEF-CLRIEMFWSA-N 1 0 253.386 2.085 10 0 CEAERO C[N@H+](CCC(=O)Nc1cccc(N)c1)CC1CCC1 ZINC000061453323 175646637 /nfs/dbraw/zinc/64/66/37/175646637.db2.gz GSSVNZZBTMEWAO-UHFFFAOYSA-N 1 0 261.369 2.329 10 0 CEAERO CC1CC(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)C1 ZINC000658956698 415369987 /nfs/dbraw/zinc/36/99/87/415369987.db2.gz IKMLPEJOAZMWEJ-BLZCZZARSA-N 1 0 264.413 2.271 10 0 CEAERO CCC[C@@]1(C(=O)Nc2cc(OC)ccc2OC)CC[NH2+]C1 ZINC000062888422 175676491 /nfs/dbraw/zinc/67/64/91/175676491.db2.gz GXOOCZULDMMWSK-MRXNPFEDSA-N 1 0 292.379 2.422 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3CCCC4(CC4)C3)C[C@@H]12 ZINC000659301867 415500168 /nfs/dbraw/zinc/50/01/68/415500168.db2.gz FIIQHYHNJFHAGA-REWJHTLYSA-N 1 0 262.397 2.153 10 0 CEAERO CCCCOC[C@@H](O)C[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000656155787 415616092 /nfs/dbraw/zinc/61/60/92/415616092.db2.gz BSMSREHKKQOQAD-LSDHHAIUSA-N 1 0 285.428 2.245 10 0 CEAERO CC[C@H](C)NC(=O)CC[NH2+][C@H]1CCO[C@@](C)(CC)C1 ZINC000070358997 175888775 /nfs/dbraw/zinc/88/87/75/175888775.db2.gz TYATURRCEZQWKO-YDHLFZDLSA-N 1 0 270.417 2.229 10 0 CEAERO Cc1ccc(C[NH3+])cc1S(=O)(=O)N(C)C1CCCCC1 ZINC000070430411 175925375 /nfs/dbraw/zinc/92/53/75/175925375.db2.gz NNTJTBXJFNQCQS-UHFFFAOYSA-N 1 0 296.436 2.407 10 0 CEAERO [NH3+][C@H]1CCCN(c2cc(-c3cccc(F)c3)[nH]n2)C1 ZINC000070460150 175942282 /nfs/dbraw/zinc/94/22/82/175942282.db2.gz NLDNKUXVCFOONI-LBPRGKRZSA-N 1 0 260.316 2.143 10 0 CEAERO C[C@H]1CCC[C@](C[NH2+][C@@H]2CCCOC2)(N(C)C)C1 ZINC000070464871 175945656 /nfs/dbraw/zinc/94/56/56/175945656.db2.gz 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ZINC000071314664 176121118 /nfs/dbraw/zinc/12/11/18/176121118.db2.gz YTDDRECLEZFEOL-AWEZNQCLSA-N 1 0 278.396 2.365 10 0 CEAERO CCCN(C(=O)c1cccn1CCC)[C@@H]1CC[NH2+]C1 ZINC000071315379 176121740 /nfs/dbraw/zinc/12/17/40/176121740.db2.gz OLQGODIYYVRFAU-CYBMUJFWSA-N 1 0 263.385 2.112 10 0 CEAERO C[C@@H]1CCC[NH2+][C@H]1CNC(=O)CCc1ccccc1 ZINC000071338478 176128617 /nfs/dbraw/zinc/12/86/17/176128617.db2.gz HWXVHSGWBISGQM-HIFRSBDPSA-N 1 0 260.381 2.124 10 0 CEAERO C[C@@H]1CCC[NH2+][C@@H]1CNC(=O)CCc1ccccc1 ZINC000071338476 176128660 /nfs/dbraw/zinc/12/86/60/176128660.db2.gz HWXVHSGWBISGQM-UKRRQHHQSA-N 1 0 260.381 2.124 10 0 CEAERO C[C@@H]1CCC[NH2+][C@@H]1CNC(=O)C1CCCCCC1 ZINC000071338800 176129155 /nfs/dbraw/zinc/12/91/55/176129155.db2.gz CSXUFQFZXPQJPD-TZMCWYRMSA-N 1 0 252.402 2.461 10 0 CEAERO COc1ccc(NC(=O)NC[C@@H]2[NH2+]CCC[C@H]2C)cc1 ZINC000071338960 176129444 /nfs/dbraw/zinc/12/94/44/176129444.db2.gz OXSLMSNGPJZLDI-RISCZKNCSA-N 1 0 277.368 2.205 10 0 CEAERO CC1(C)C[N@H+](C[C@@H]2CCOC2)[C@@H](Cc2ccccc2)CN1 ZINC000071343053 176131037 /nfs/dbraw/zinc/13/10/37/176131037.db2.gz SCYUHYXPALOJSM-IRXDYDNUSA-N 1 0 288.435 2.318 10 0 CEAERO CC(C)[C@H]1C[NH2+][C@H](C(C)(C)C)CN1Cc1ncccn1 ZINC000071347008 176132039 /nfs/dbraw/zinc/13/20/39/176132039.db2.gz IFUJAWASHHVNLO-KGLIPLIRSA-N 1 0 276.428 2.321 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@@H](C(C)(C)C)CN1CCOCCOC ZINC000071348586 176132347 /nfs/dbraw/zinc/13/23/47/176132347.db2.gz VBMGRSUGVPGEKM-ZBFHGGJFSA-N 1 0 286.460 2.138 10 0 CEAERO CCOCCN1C[C@H](CC(C)C)[NH2+]C[C@@H]1C1CC1 ZINC000071351098 176134397 /nfs/dbraw/zinc/13/43/97/176134397.db2.gz GEYNDHMJKLYEOL-LSDHHAIUSA-N 1 0 254.418 2.121 10 0 CEAERO CCOCCN1C[C@H](Cc2ccccc2)[NH2+]C[C@@H]1C1CC1 ZINC000071353121 176135694 /nfs/dbraw/zinc/13/56/94/176135694.db2.gz GPIDIUDPKHLKSY-ZWKOTPCHSA-N 1 0 288.435 2.318 10 0 CEAERO C[C@H]1C[NH2+][C@@H](Cc2ccccc2)CN1Cc1ccncc1 ZINC000071352649 176135782 /nfs/dbraw/zinc/13/57/82/176135782.db2.gz PSQJQDCZVUHPKS-YJBOKZPZSA-N 1 0 281.403 2.487 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(CCCn2ccnc2)C(C)(C)C[NH2+]1 ZINC000071355676 176136491 /nfs/dbraw/zinc/13/64/91/176136491.db2.gz KOEMUBYPJHSCBN-CABCVRRESA-N 1 0 278.444 2.372 10 0 CEAERO CC[C@@H](C)[C@H]1CN(Cc2ncccn2)[C@H](C2CC2)C[NH2+]1 ZINC000071355298 176136730 /nfs/dbraw/zinc/13/67/30/176136730.db2.gz HFZVTEMFTSAJFZ-YUELXQCFSA-N 1 0 274.412 2.075 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(Cc2ncccn2)[C@H](C(C)C)C[NH2+]1 ZINC000071354810 176137020 /nfs/dbraw/zinc/13/70/20/176137020.db2.gz XFTRDVKMPXRADZ-ILXRZTDVSA-N 1 0 276.428 2.321 10 0 CEAERO CC[C@@]1(C)CN(CCOCCOC)[C@H](C(C)(C)C)C[NH2+]1 ZINC000071357425 176137411 /nfs/dbraw/zinc/13/74/11/176137411.db2.gz TXBYDNUYFHGTRS-HOCLYGCPSA-N 1 0 286.460 2.138 10 0 CEAERO COCCN1CC2(CCCC2)[NH2+]C[C@@H]1C(C)(C)C ZINC000071358849 176137509 /nfs/dbraw/zinc/13/75/09/176137509.db2.gz NBTOOLCZUAQKEH-CYBMUJFWSA-N 1 0 254.418 2.266 10 0 CEAERO CC(C)n1c(C[NH3+])nnc1SCCc1ccncc1 ZINC000071374499 176139732 /nfs/dbraw/zinc/13/97/32/176139732.db2.gz ODNKHWCWOBOSJI-UHFFFAOYSA-N 1 0 277.397 2.048 10 0 CEAERO CCCn1c(C[NH3+])nnc1SCc1cccnc1Cl ZINC000071375533 176140282 /nfs/dbraw/zinc/14/02/82/176140282.db2.gz UZJVJBFYAMKDTH-UHFFFAOYSA-N 1 0 297.815 2.488 10 0 CEAERO C[N@H+](CCNC(=O)c1cc(N)c(F)cc1F)C1CCCC1 ZINC000071376529 176141207 /nfs/dbraw/zinc/14/12/07/176141207.db2.gz SKZUOSJRJOMGAK-UHFFFAOYSA-N 1 0 297.349 2.151 10 0 CEAERO C[N@H+](CCNc1ccc(S(C)(=O)=O)cc1)C1CCCC1 ZINC000071377625 176143184 /nfs/dbraw/zinc/14/31/84/176143184.db2.gz QUYYZGDNHOUBHR-UHFFFAOYSA-N 1 0 296.436 2.376 10 0 CEAERO CC[C@H]1CCCC[C@@H]1[NH+]1CCN(CC(C)(C)O)CC1 ZINC000071382202 176145552 /nfs/dbraw/zinc/14/55/52/176145552.db2.gz DCKQOISRRCKINQ-GJZGRUSLSA-N 1 0 268.445 2.344 10 0 CEAERO CC[C@@H]1CCCC[C@@H]1[NH+]1CCN(CC(C)(C)O)CC1 ZINC000071382201 176145711 /nfs/dbraw/zinc/14/57/11/176145711.db2.gz DCKQOISRRCKINQ-CABCVRRESA-N 1 0 268.445 2.344 10 0 CEAERO FC(F)(F)C(F)(F)c1nc([C@H]2CCC[NH2+]2)no1 ZINC000071396656 176150160 /nfs/dbraw/zinc/15/01/60/176150160.db2.gz JWBBTLZWYANWDA-SCSAIBSYSA-N 1 0 257.162 2.148 10 0 CEAERO COc1ccc(C)cc1-c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000071396408 176150249 /nfs/dbraw/zinc/15/02/49/176150249.db2.gz QWMZJXPWQAYGQI-NSHDSACASA-N 1 0 259.309 2.478 10 0 CEAERO C[NH2+]Cc1ccc(OC[C@H](C)O)c(C(F)(F)F)c1 ZINC000071398523 176151768 /nfs/dbraw/zinc/15/17/68/176151768.db2.gz WUEBYSIVMKIMTB-QMMMGPOBSA-N 1 0 263.259 2.184 10 0 CEAERO C[NH2+]Cc1cc(C)ccc1OCCn1ccnc1C ZINC000071403474 176154995 /nfs/dbraw/zinc/15/49/95/176154995.db2.gz NXFKVFRGVWYTMJ-UHFFFAOYSA-N 1 0 259.353 2.298 10 0 CEAERO C[NH2+]Cc1cc(C)ccc1OCCC(=O)NC(C)C ZINC000071403582 176155050 /nfs/dbraw/zinc/15/50/50/176155050.db2.gz BWZICMWQSBIHFE-UHFFFAOYSA-N 1 0 264.369 2.008 10 0 CEAERO CC[NH2+]Cc1cc(C)ccc1O[C@H](C)C(=O)OCC ZINC000071403832 176155109 /nfs/dbraw/zinc/15/51/09/176155109.db2.gz KAUZRWRPFWOYLF-GFCCVEGCSA-N 1 0 265.353 2.435 10 0 CEAERO C[NH2+]Cc1cc(C)ccc1OCC(=O)NC1CCCC1 ZINC000071403747 176155230 /nfs/dbraw/zinc/15/52/30/176155230.db2.gz SMHCVJUQLJNQHI-UHFFFAOYSA-N 1 0 276.380 2.152 10 0 CEAERO CC[NH2+]Cc1cc(C)ccc1OCC(=O)OCC ZINC000071406030 176155724 /nfs/dbraw/zinc/15/57/24/176155724.db2.gz WDRQMOWBGFRQRX-UHFFFAOYSA-N 1 0 251.326 2.046 10 0 CEAERO Cc1ccc(O[C@H](C)C(=O)NCCC(C)C)c(CC[NH3+])c1 ZINC000071411329 176157121 /nfs/dbraw/zinc/15/71/21/176157121.db2.gz PXXOLMIVQICHJG-CQSZACIVSA-N 1 0 292.423 2.426 10 0 CEAERO Cc1ccc(OCCC(=O)NC(C)C)c(C[C@H](C)[NH3+])c1 ZINC000071411904 176157412 /nfs/dbraw/zinc/15/74/12/176157412.db2.gz WEIDMKPHHSNCOR-ZDUSSCGKSA-N 1 0 278.396 2.178 10 0 CEAERO Cc1ccc(OCC(=O)OC(C)C)c(C[C@@H](C)[NH3+])c1 ZINC000071411829 176157444 /nfs/dbraw/zinc/15/74/44/176157444.db2.gz NTTUTRHLKSEGQU-GFCCVEGCSA-N 1 0 265.353 2.215 10 0 CEAERO CCNC(=O)CCOc1ccc(C)cc1C[C@@H]([NH3+])CC ZINC000071412220 176157683 /nfs/dbraw/zinc/15/76/83/176157683.db2.gz VHKFZIKFIOBXBY-AWEZNQCLSA-N 1 0 278.396 2.180 10 0 CEAERO Cc1ccncc1NC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000071414038 176158880 /nfs/dbraw/zinc/15/88/80/176158880.db2.gz WDJIDQCVYKULAU-CYBMUJFWSA-N 1 0 255.321 2.071 10 0 CEAERO [NH3+]Cc1[nH]cnc1-c1ccc(Br)s1 ZINC000071583611 176208323 /nfs/dbraw/zinc/20/83/23/176208323.db2.gz MPWAMUNARCYFML-UHFFFAOYSA-N 1 0 258.144 2.359 10 0 CEAERO CCOc1ccccc1CCCN1CCC[NH2+]CC1 ZINC000071589120 176217378 /nfs/dbraw/zinc/21/73/78/176217378.db2.gz UDLQMMDIQNUHQT-UHFFFAOYSA-N 1 0 262.397 2.313 10 0 CEAERO CCOc1ccc(CCCN2CC[NH2+]C[C@H]2C)cc1 ZINC000071589141 176217412 /nfs/dbraw/zinc/21/74/12/176217412.db2.gz PFGRCAQUHXEATK-CQSZACIVSA-N 1 0 262.397 2.312 10 0 CEAERO COc1ccc([C@H](O)[C@@H](C)[NH2+]C2CC2)c(OC)c1C ZINC000071597841 176221659 /nfs/dbraw/zinc/22/16/59/176221659.db2.gz XSDWBJNWMKVZOS-QMTHXVAHSA-N 1 0 265.353 2.186 10 0 CEAERO CC(C)(C)c1ccc(S(=O)(=O)[C@H]2CC[NH2+]C2)cc1 ZINC000071599339 176224178 /nfs/dbraw/zinc/22/41/78/176224178.db2.gz HVNGYOJHTHSDBB-ZDUSSCGKSA-N 1 0 267.394 2.120 10 0 CEAERO O=C1CC[NH2+]C[C@@H]1Cc1ccc(Br)cc1 ZINC000071599561 176224485 /nfs/dbraw/zinc/22/44/85/176224485.db2.gz NVKOKZIWJCMXTO-JTQLQIEISA-N 1 0 268.154 2.170 10 0 CEAERO [NH3+]CCc1nc(-c2cc(Br)cs2)c[nH]1 ZINC000071611494 176231839 /nfs/dbraw/zinc/23/18/39/176231839.db2.gz FKEHFZIQSIRPCW-UHFFFAOYSA-N 1 0 272.171 2.402 10 0 CEAERO COc1ccc([C@@H]2Cc3n[nH]c(C)c3[C@H]([NH3+])C2)c(OC)c1 ZINC000072415415 176399525 /nfs/dbraw/zinc/39/95/25/176399525.db2.gz YJUYHEHVCXLPEX-GXFFZTMASA-N 1 0 287.363 2.465 10 0 CEAERO COc1ccc([C@@H]2Cc3n[nH]c(C)c3[C@@H]([NH3+])C2)cc1 ZINC000072415381 176399588 /nfs/dbraw/zinc/39/95/88/176399588.db2.gz CAWAASIZQVUZHW-AAEUAGOBSA-N 1 0 257.337 2.457 10 0 CEAERO Cc1nnc(N2CCC([C@H]3CCC[NH2+]C3)CC2)s1 ZINC000656609199 415785613 /nfs/dbraw/zinc/78/56/13/415785613.db2.gz QZQWFQGETFGHBX-LBPRGKRZSA-N 1 0 266.414 2.063 10 0 CEAERO C[NH2+]CCCC(=O)N(C)c1cc(Cl)ccc1OC ZINC000076408806 177019980 /nfs/dbraw/zinc/01/99/80/177019980.db2.gz GBBBZZRWHOZNSS-UHFFFAOYSA-N 1 0 270.760 2.311 10 0 CEAERO [NH3+]C[C@H](CCC(=O)NC1CCCC1)c1ccco1 ZINC000076654787 177044525 /nfs/dbraw/zinc/04/45/25/177044525.db2.gz ZCJHVYCZUWNCMN-NSHDSACASA-N 1 0 250.342 2.161 10 0 CEAERO COc1ccc(CN(CC[NH3+])C(C)(C)C)cc1F ZINC000076658248 177046935 /nfs/dbraw/zinc/04/69/35/177046935.db2.gz FHWIRUMGXYDKMG-UHFFFAOYSA-N 1 0 254.349 2.394 10 0 CEAERO [NH3+]CC[C@H](C(=O)NCc1ccco1)c1ccccc1 ZINC000076665693 177050863 /nfs/dbraw/zinc/05/08/63/177050863.db2.gz WLXGCNNEBMYQLZ-AWEZNQCLSA-N 1 0 258.321 2.028 10 0 CEAERO CC(=O)c1cccc(N(CC[NH3+])Cc2ccco2)c1 ZINC000076666214 177050915 /nfs/dbraw/zinc/05/09/15/177050915.db2.gz ZRQXJULUZNKKOP-UHFFFAOYSA-N 1 0 258.321 2.448 10 0 CEAERO [NH3+]C[C@@H](CC(=O)NCc1ccco1)C1CCCCC1 ZINC000076680004 177058011 /nfs/dbraw/zinc/05/80/11/177058011.db2.gz HAZCYTUTCMARBK-CYBMUJFWSA-N 1 0 264.369 2.441 10 0 CEAERO COc1cc(NC(=O)C[C@H](C)C[NH3+])c(OC)cc1Cl ZINC000076800725 177099180 /nfs/dbraw/zinc/09/91/80/177099180.db2.gz SALISCRHJQRDGA-QMMMGPOBSA-N 1 0 286.759 2.281 10 0 CEAERO CNC(=O)[C@H](CC(C)C)[NH2+]Cc1sc(C)nc1C ZINC000076867787 177125216 /nfs/dbraw/zinc/12/52/16/177125216.db2.gz NULKUIRWNGEFFK-NSHDSACASA-N 1 0 269.414 2.010 10 0 CEAERO COCCC[C@@H]1CCCC[N@@H+]1Cc1nnc(C)o1 ZINC000077390692 177262202 /nfs/dbraw/zinc/26/22/02/177262202.db2.gz DFCMLLPXIJDRES-LBPRGKRZSA-N 1 0 253.346 2.159 10 0 CEAERO Cc1cccc(C(C)C)c1N(C)C[C@H](O)CC[NH3+] ZINC000077432355 177268283 /nfs/dbraw/zinc/26/82/83/177268283.db2.gz UWXNZOUGFLMEBI-CYBMUJFWSA-N 1 0 250.386 2.264 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CCc1ccco1 ZINC000077730048 177296769 /nfs/dbraw/zinc/29/67/69/177296769.db2.gz BHNCZFNKBRERMZ-CYBMUJFWSA-N 1 0 266.385 2.305 10 0 CEAERO C[C@H]([NH2+]C[C@H](O)CO)c1ccc(-c2ccccc2)cc1 ZINC000078430032 177340740 /nfs/dbraw/zinc/34/07/40/177340740.db2.gz DWTOYLPNZNZRIR-GUYCJALGSA-N 1 0 271.360 2.357 10 0 CEAERO COC[C@@H](C)Oc1ncccc1C[NH2+]CC(C)C ZINC000078522472 177349511 /nfs/dbraw/zinc/34/95/11/177349511.db2.gz ZFRBBCZITSNYFQ-GFCCVEGCSA-N 1 0 252.358 2.241 10 0 CEAERO CC[N@H+](C[C@H]1OCCc2ccccc21)CC(C)(C)O ZINC000078838359 177397176 /nfs/dbraw/zinc/39/71/76/177397176.db2.gz GJEUZBHWBVWOOH-OAHLLOKOSA-N 1 0 263.381 2.393 10 0 CEAERO CCOc1cccc(CNC(=O)CC[C@H](C)CC[NH3+])c1 ZINC000079117955 177436220 /nfs/dbraw/zinc/43/62/20/177436220.db2.gz LCAGKBBXEPEQTF-ZDUSSCGKSA-N 1 0 278.396 2.467 10 0 CEAERO CCC[NH2+][C@@H](CN1CC[C@@H](C)CCC1=O)C1CC1 ZINC000079246173 177455972 /nfs/dbraw/zinc/45/59/72/177455972.db2.gz BRUCNKFLZBXATH-JSGCOSHPSA-N 1 0 252.402 2.413 10 0 CEAERO CC(C)[C@@H](CC[NH3+])CCC(=O)NCc1cccnc1 ZINC000079254676 177459339 /nfs/dbraw/zinc/45/93/39/177459339.db2.gz IDAHIESZOHKRME-CQSZACIVSA-N 1 0 263.385 2.099 10 0 CEAERO C[C@@](CCSc1ncccc1Cl)([NH2+]C1CC1)C(N)=O ZINC000079448986 177492515 /nfs/dbraw/zinc/49/25/15/177492515.db2.gz XYLKPBFNUBGOQS-ZDUSSCGKSA-N 1 0 299.827 2.213 10 0 CEAERO C[C@]1(C(=O)Nc2cccc3cnccc32)CCC[NH2+]1 ZINC000079513473 177511112 /nfs/dbraw/zinc/51/11/12/177511112.db2.gz JSOQBKMOCAYXQZ-OAHLLOKOSA-N 1 0 255.321 2.315 10 0 CEAERO C[C@@H](NC(=O)[C@]1(C)CCC[NH2+]1)c1ccccc1F ZINC000079516002 177512237 /nfs/dbraw/zinc/51/22/37/177512237.db2.gz LKUYMKPPGJPJMO-YGRLFVJLSA-N 1 0 250.317 2.145 10 0 CEAERO C[C@@]1(C(=O)N2CCC[C@@H]2C2CCCC2)CCC[NH2+]1 ZINC000079520709 177514586 /nfs/dbraw/zinc/51/45/86/177514586.db2.gz GNRSQTHLZHECKU-HIFRSBDPSA-N 1 0 250.386 2.310 10 0 CEAERO COc1ccccc1N(C)C(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+] ZINC000079534419 177516810 /nfs/dbraw/zinc/51/68/10/177516810.db2.gz RTQCBRLIZGXADB-BVIHXZOGSA-N 1 0 274.364 2.031 10 0 CEAERO CCC[C@H](COC)[NH2+]C[C@H](O)c1cc(C)ccc1OC ZINC000079743361 177548792 /nfs/dbraw/zinc/54/87/92/177548792.db2.gz UIXXOXPWXGOMAU-HIFRSBDPSA-N 1 0 281.396 2.442 10 0 CEAERO CCN(C[C@H](C)C(N)=[NH2+])C(=O)Nc1cccc(C)c1 ZINC000079778907 177557123 /nfs/dbraw/zinc/55/71/23/177557123.db2.gz TULUFTNESSVGNW-NSHDSACASA-N 1 0 262.357 2.421 10 0 CEAERO CCCCNC(=O)NC1(C(N)=[NH2+])CCCCCC1 ZINC000079779542 177557524 /nfs/dbraw/zinc/55/75/24/177557524.db2.gz RYOFEMORDXGFLB-UHFFFAOYSA-N 1 0 254.378 2.115 10 0 CEAERO CCCCNC(=O)N(C)[C@@]1(C[NH3+])CCC[C@H](C)C1 ZINC000079868990 177573127 /nfs/dbraw/zinc/57/31/27/177573127.db2.gz MKSIRPJAPDPBEJ-JSGCOSHPSA-N 1 0 255.406 2.336 10 0 CEAERO CC[NH+](CC)CCN[C@]1(C(=O)OC)CCCC(C)(C)C1 ZINC000079981257 177591320 /nfs/dbraw/zinc/59/13/20/177591320.db2.gz DADOTIIIKZGPGQ-MRXNPFEDSA-N 1 0 284.444 2.430 10 0 CEAERO Cc1nn(Cc2ccc(F)cc2C(N)=[NH2+])cc1Cl ZINC000080011881 177595338 /nfs/dbraw/zinc/59/53/38/177595338.db2.gz OIUFUPMCJKBURV-UHFFFAOYSA-N 1 0 266.707 2.316 10 0 CEAERO CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1[NH2+]CCN1CCOCC1 ZINC000080125133 177612974 /nfs/dbraw/zinc/61/29/74/177612974.db2.gz NMCRFJRCRLTQFP-SQWLQELKSA-N 1 0 266.429 2.123 10 0 CEAERO CCCN(c1ccc(C[NH3+])cc1)S(=O)(=O)CC(C)C ZINC000080185696 177620469 /nfs/dbraw/zinc/62/04/69/177620469.db2.gz UENQMJUALNJYJO-UHFFFAOYSA-N 1 0 284.425 2.348 10 0 CEAERO C[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])[C@H]1C ZINC000261947463 287406373 /nfs/dbraw/zinc/40/63/73/287406373.db2.gz GHLWHHJRVPQBSE-XVIXHAIJSA-N 1 0 252.402 2.302 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCC[C@H]1c1ccncc1 ZINC000136314482 419443606 /nfs/dbraw/zinc/44/36/06/419443606.db2.gz KWVQNXJZCHDTJJ-KBPBESRZSA-N 1 0 261.369 2.119 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)Nc1cccc(Cn2cccn2)c1 ZINC000136320560 419443870 /nfs/dbraw/zinc/44/38/70/419443870.db2.gz JDDOJEUJUCAPBD-OAHLLOKOSA-N 1 0 286.379 2.243 10 0 CEAERO COc1cccc([C@H](C)NC(=O)C[C@H]([NH3+])C(C)C)c1 ZINC000136366813 419445481 /nfs/dbraw/zinc/44/54/81/419445481.db2.gz OKZPGPKXKFXBIT-FZMZJTMJSA-N 1 0 264.369 2.246 10 0 CEAERO COc1ccccc1[C@@H](C)NC(=O)C[C@H]([NH3+])C(C)C ZINC000136433455 419448038 /nfs/dbraw/zinc/44/80/38/419448038.db2.gz LWTGTRYBFHOLSH-YPMHNXCESA-N 1 0 264.369 2.246 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)NCc1ccc(F)c(Cl)c1 ZINC000136452801 419448289 /nfs/dbraw/zinc/44/82/89/419448289.db2.gz PNDUTQHAKIMNQF-GFCCVEGCSA-N 1 0 272.751 2.469 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)NCCCOC1CCCCC1 ZINC000136429664 419448558 /nfs/dbraw/zinc/44/85/58/419448558.db2.gz WHYKBKGNJMYRMX-AWEZNQCLSA-N 1 0 270.417 2.215 10 0 CEAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)N[C@H]2C)CC(C)(C)C1 ZINC000392868166 270341719 /nfs/dbraw/zinc/34/17/19/270341719.db2.gz ITIUWRWUIDRYTD-VOAKCMCISA-N 1 0 252.402 2.458 10 0 CEAERO CCC[C@@H](C)[NH+]1CCN([C@H](C)c2nc(CC)no2)CC1 ZINC000187683185 270255484 /nfs/dbraw/zinc/25/54/84/270255484.db2.gz AHTABKNTOMAVDM-CHWSQXEVSA-N 1 0 280.416 2.499 10 0 CEAERO CO[C@@H](CN(C)[C@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000425415262 264292867 /nfs/dbraw/zinc/29/28/67/264292867.db2.gz FPNUHYPSWFKIQK-PWSUYJOCSA-N 1 0 257.374 2.073 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+]CCc2nccs2)C12CCOCC2 ZINC000186301148 270248983 /nfs/dbraw/zinc/24/89/83/270248983.db2.gz SZQFKRGIVZWEDA-OLZOCXBDSA-N 1 0 296.436 2.249 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cnn(C(C)C)c1 ZINC000190380559 270268632 /nfs/dbraw/zinc/26/86/32/270268632.db2.gz YXPCFOWSNODVHA-CQSZACIVSA-N 1 0 280.416 2.170 10 0 CEAERO CCCN(CC1CC1)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000194173298 270293629 /nfs/dbraw/zinc/29/36/29/270293629.db2.gz VLMHFNKEOJHMNZ-CQSZACIVSA-N 1 0 267.417 2.302 10 0 CEAERO C[NH+](C)C[C@@H](NC(=O)CCc1ccccn1)c1ccccc1 ZINC000194425226 270299308 /nfs/dbraw/zinc/29/93/08/270299308.db2.gz JBRDVNHNWNPCKZ-QGZVFWFLSA-N 1 0 297.402 2.433 10 0 CEAERO C[C@@H]([NH2+]C[C@H](O)C1CCC1)c1nc2ccccc2n1C ZINC000316693667 270334794 /nfs/dbraw/zinc/33/47/94/270334794.db2.gz DIVYYUJHSHCRKZ-ABAIWWIYSA-N 1 0 273.380 2.385 10 0 CEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC000392863318 270341280 /nfs/dbraw/zinc/34/12/80/270341280.db2.gz KYRFAZWYCREXHY-XHDPSFHLSA-N 1 0 258.365 2.321 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]CC2([S@@](C)=O)CCC2)c1C ZINC000393705238 270343796 /nfs/dbraw/zinc/34/37/96/270343796.db2.gz KAYJSUKDQLOLNQ-PRWKNARSSA-N 1 0 297.468 2.472 10 0 CEAERO Cc1ccc(CNC[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000398355817 280693273 /nfs/dbraw/zinc/69/32/73/280693273.db2.gz LNESCDVXNNJCOR-NSHDSACASA-N 1 0 283.213 2.457 10 0 CEAERO C[NH2+][C@H]1CCCN(c2ncnc3sc(C)c(C)c32)C1 ZINC000053204746 273974723 /nfs/dbraw/zinc/97/47/23/273974723.db2.gz NCULUTSRZIVNRS-NSHDSACASA-N 1 0 276.409 2.496 10 0 CEAERO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCOC1 ZINC000268889956 274355158 /nfs/dbraw/zinc/35/51/58/274355158.db2.gz ABEFMKGWYKJISY-PVAVHDDUSA-N 1 0 274.408 2.276 10 0 CEAERO C[C@@H]1CN(c2cccc(C(F)(F)F)n2)[C@H](C)C[NH2+]1 ZINC000086471540 274365326 /nfs/dbraw/zinc/36/53/26/274365326.db2.gz YNMWHBJYISTWPI-RKDXNWHRSA-N 1 0 259.275 2.287 10 0 CEAERO C[C@H]1CN(Cc2ccccc2C(F)(F)F)C[C@@H]1[NH3+] ZINC000235671618 274589034 /nfs/dbraw/zinc/58/90/34/274589034.db2.gz DYIIGBQAFWVBLV-CABZTGNLSA-N 1 0 258.287 2.484 10 0 CEAERO c1coc(-c2nc3cccnc3n2[C@@H]2CC[NH2+]C2)c1 ZINC000085347880 275074661 /nfs/dbraw/zinc/07/46/61/275074661.db2.gz HPYNBTTVAFTMJI-SNVBAGLBSA-N 1 0 254.293 2.226 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000096032659 275826163 /nfs/dbraw/zinc/82/61/63/275826163.db2.gz BSKPTFCIFODADH-YUMQZZPRSA-N 1 0 268.279 2.133 10 0 CEAERO CC(C)CC[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)C1CC1 ZINC000367116193 275877528 /nfs/dbraw/zinc/87/75/28/275877528.db2.gz ZSNQXVBWKLTXGS-HUUCEWRRSA-N 1 0 254.418 2.121 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)N1CCc2ccc(Cl)cc2C1 ZINC000182858405 276023915 /nfs/dbraw/zinc/02/39/15/276023915.db2.gz AIBDZNBGWWQEPK-CYBMUJFWSA-N 1 0 266.772 2.352 10 0 CEAERO CCC[C@H](C(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12)[NH+](C)C ZINC000245769276 276038704 /nfs/dbraw/zinc/03/87/04/276038704.db2.gz KBKGCQSITVSGAS-QBPKDAKJSA-N 1 0 286.419 2.419 10 0 CEAERO CCN1CCC[C@@H]([NH2+][C@@H]2CC(=O)N(C)c3ccccc32)C1 ZINC000040502962 276167669 /nfs/dbraw/zinc/16/76/69/276167669.db2.gz ABKWCHUZTNTEBF-UKRRQHHQSA-N 1 0 287.407 2.168 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)N1[C@H](C)CCC[C@H]1C ZINC000245473640 276169590 /nfs/dbraw/zinc/16/95/90/276169590.db2.gz QEDKHMLKNAQYPI-BZUAXINKSA-N 1 0 295.471 2.192 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)c1nnc(C(F)(F)F)s1 ZINC000155266590 276183736 /nfs/dbraw/zinc/18/37/36/276183736.db2.gz MGKAYJUWFOVYSN-QMMMGPOBSA-N 1 0 294.346 2.477 10 0 CEAERO CN(c1ncc(C(F)(F)F)cc1Cl)C1C[NH2+]C1 ZINC000090290575 277004398 /nfs/dbraw/zinc/00/43/98/277004398.db2.gz LJXGKTWNKIBGNY-UHFFFAOYSA-N 1 0 265.666 2.162 10 0 CEAERO CC(=O)Nc1ccc([C@@H]([NH2+]C2CCCCC2)C(N)=O)cc1 ZINC000037969694 277083063 /nfs/dbraw/zinc/08/30/63/277083063.db2.gz SAJGXYKITOZVJT-OAHLLOKOSA-N 1 0 289.379 2.094 10 0 CEAERO CN1CCO[C@@H](C[NH2+][C@@H]2CCCc3cc(F)ccc32)C1 ZINC000183196685 277119632 /nfs/dbraw/zinc/11/96/32/277119632.db2.gz MDZOVQWQOVUZQG-GOEBONIOSA-N 1 0 278.371 2.123 10 0 CEAERO CC(C)(C)OCC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000252715147 277214882 /nfs/dbraw/zinc/21/48/82/277214882.db2.gz UTYYXGGSROHLDB-ZFWWWQNUSA-N 1 0 255.402 2.429 10 0 CEAERO CC(C)(C)[C@H](O)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000336788302 277254090 /nfs/dbraw/zinc/25/40/90/277254090.db2.gz OPKOQOYLKFEJIX-GZBFAFLISA-N 1 0 255.402 2.020 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCO[C@@H]2C)C1 ZINC000249336747 277396698 /nfs/dbraw/zinc/39/66/98/277396698.db2.gz CUVRKKNLBVGGEF-OAGGEKHMSA-N 1 0 296.455 2.286 10 0 CEAERO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CN(C)CCO2)CC(C)(C)C1 ZINC000090714887 277984843 /nfs/dbraw/zinc/98/48/43/277984843.db2.gz TWUSNURNJQTYMR-MGPQQGTHSA-N 1 0 254.418 2.121 10 0 CEAERO CC1(C)C(NC(=O)C[C@H]2CCCC[C@H]2[NH3+])C1(C)C ZINC000261570823 278182563 /nfs/dbraw/zinc/18/25/63/278182563.db2.gz KPQFMCLOPIQRSO-GHMZBOCLSA-N 1 0 252.402 2.445 10 0 CEAERO C[C@@H]([NH3+])[C@H]1CCN(c2cccc(C(F)(F)F)n2)C1 ZINC000127304539 278318562 /nfs/dbraw/zinc/31/85/62/278318562.db2.gz HVFZODYFLDPDDM-BDAKNGLRSA-N 1 0 259.275 2.274 10 0 CEAERO C[C@@H]([NH2+]CC(=O)Nc1nccs1)c1cccs1 ZINC000182202266 278339200 /nfs/dbraw/zinc/33/92/00/278339200.db2.gz JPIXUWUMTHNJFT-MRVPVSSYSA-N 1 0 267.379 2.494 10 0 CEAERO Cc1c(Cl)cccc1C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000261567085 278598127 /nfs/dbraw/zinc/59/81/27/278598127.db2.gz ZOSYNJJRXXNNNS-SKDRFNHKSA-N 1 0 252.745 2.210 10 0 CEAERO [NH3+]C[C@H]1CCCCN1c1cc(C(F)(F)F)ccn1 ZINC000090803831 279648912 /nfs/dbraw/zinc/64/89/12/279648912.db2.gz WKMCBCCJAMKFOD-SNVBAGLBSA-N 1 0 259.275 2.418 10 0 CEAERO CC(C)Oc1ccccc1CC(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000157672376 279731191 /nfs/dbraw/zinc/73/11/91/279731191.db2.gz DKQPOPVULLZSCV-HUUCEWRRSA-N 1 0 290.407 2.260 10 0 CEAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCC[S@](C)=O ZINC000127054375 279851434 /nfs/dbraw/zinc/85/14/34/279851434.db2.gz FESMXKNMVRHJJG-HNAYVOBHSA-N 1 0 281.421 2.431 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCCC[C@@H]2O)C1(C)C ZINC000252856760 279880902 /nfs/dbraw/zinc/88/09/02/279880902.db2.gz IDTGJOHEAUFGOM-XDQVBPFNSA-N 1 0 255.402 2.473 10 0 CEAERO CC(C)c1nsc(NCC2(C)CC[NH2+]CC2)n1 ZINC000129427883 279911787 /nfs/dbraw/zinc/91/17/87/279911787.db2.gz HKICVOUVBZLGSH-UHFFFAOYSA-N 1 0 254.403 2.463 10 0 CEAERO O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)[C@@H]1CCC[NH2+]1 ZINC000073349454 280027949 /nfs/dbraw/zinc/02/79/49/280027949.db2.gz MVLXZUBNWYZOKY-LBPRGKRZSA-N 1 0 288.347 2.419 10 0 CEAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC[C@@H]1CCCO1 ZINC000188767985 280139840 /nfs/dbraw/zinc/13/98/40/280139840.db2.gz VUFWEGNCMPWBLH-AJNGGQMLSA-N 1 0 281.396 2.362 10 0 CEAERO C[C@]([NH3+])(C(=O)N1CCc2ccccc21)c1ccccc1 ZINC000052881193 280140839 /nfs/dbraw/zinc/14/08/39/280140839.db2.gz ZMNLGWPCQZOEOP-QGZVFWFLSA-N 1 0 266.344 2.450 10 0 CEAERO C[C@]1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)CCCS1 ZINC000261998568 280158338 /nfs/dbraw/zinc/15/83/38/280158338.db2.gz UIHRVWWVRBFZCH-KBUPBQIOSA-N 1 0 284.469 2.019 10 0 CEAERO COC[C@H](O)CC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000222713214 280212192 /nfs/dbraw/zinc/21/21/92/280212192.db2.gz QCHAXWITZXZJBP-GBJTYRQASA-N 1 0 257.418 2.434 10 0 CEAERO COc1cc(C(=O)N(C)[C@@H]2CCC[NH2+]CC2)ccc1F ZINC000226457993 280214765 /nfs/dbraw/zinc/21/47/65/280214765.db2.gz KGNLGCPXMWLHOL-GFCCVEGCSA-N 1 0 280.343 2.048 10 0 CEAERO Cc1cc(F)ccc1C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000226455774 280214773 /nfs/dbraw/zinc/21/47/73/280214773.db2.gz LTYHGFMYJYQUIS-CYBMUJFWSA-N 1 0 264.344 2.348 10 0 CEAERO C[C@@H]1CN(C(=O)/C=C/c2ccc(Cl)cc2)C[C@H]1[NH3+] ZINC000235343598 280221170 /nfs/dbraw/zinc/22/11/70/280221170.db2.gz QITMMVMMDUBPCK-GHHAPQSHSA-N 1 0 264.756 2.159 10 0 CEAERO CCO[C@@H](C)c1noc(CN(C)C[C@H]2CCC[N@@H+]2CC)n1 ZINC000245457613 280241567 /nfs/dbraw/zinc/24/15/67/280241567.db2.gz CDAUTMJMAFWRPP-QWHCGFSZSA-N 1 0 296.415 2.083 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@H](C)C2(C)CC2)C1 ZINC000245876388 280263781 /nfs/dbraw/zinc/26/37/81/280263781.db2.gz INIUEDUJLPHQJJ-OLZOCXBDSA-N 1 0 267.417 2.301 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCCSC ZINC000246540588 280300095 /nfs/dbraw/zinc/30/00/95/280300095.db2.gz YDNSLMFXDISYBW-KGLIPLIRSA-N 1 0 299.484 2.398 10 0 CEAERO CCc1noc(C)c1NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246579747 280302030 /nfs/dbraw/zinc/30/20/30/280302030.db2.gz MDABXNWBMRXPJC-ZWNOBZJWSA-N 1 0 294.399 2.396 10 0 CEAERO O=C1OCc2cc(F)ccc2N1C1CC[NH2+]CC1 ZINC000021987714 280309987 /nfs/dbraw/zinc/30/99/87/280309987.db2.gz RVBGAMRIIUQUTO-UHFFFAOYSA-N 1 0 250.273 2.034 10 0 CEAERO Cc1cc(Br)cnc1N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000227075780 280311642 /nfs/dbraw/zinc/31/16/42/280311642.db2.gz ZJLNYMFHIHGFOU-ONGXEEELSA-N 1 0 284.201 2.326 10 0 CEAERO O=C1O[C@H](C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)CC12CCC2 ZINC000191948016 280312178 /nfs/dbraw/zinc/31/21/78/280312178.db2.gz YLGQVQXIRKRVPA-BFHYXJOUSA-N 1 0 279.380 2.116 10 0 CEAERO O=C1O[C@H](C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)CC12CCC2 ZINC000248898034 280312429 /nfs/dbraw/zinc/31/24/29/280312429.db2.gz URHJEEZENDTCRT-JKIFEVAISA-N 1 0 293.407 2.099 10 0 CEAERO CCOCC[N@@H+]1CCN(CCc2scnc2C)C[C@H]1C ZINC000246951265 280315672 /nfs/dbraw/zinc/31/56/72/280315672.db2.gz FRJAHBCDBVLSFQ-CYBMUJFWSA-N 1 0 297.468 2.037 10 0 CEAERO Cc1cccc(CC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000247296310 280325545 /nfs/dbraw/zinc/32/55/45/280325545.db2.gz LCBWODCXRSLYIP-ZBFHGGJFSA-N 1 0 274.408 2.382 10 0 CEAERO C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@H]2c2ccco2)C1 ZINC000247563957 280333714 /nfs/dbraw/zinc/33/37/14/280333714.db2.gz VHPIBLMGZOUKTB-KGLIPLIRSA-N 1 0 291.395 2.468 10 0 CEAERO CC(C)OCCCC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000248374523 280344978 /nfs/dbraw/zinc/34/49/78/280344978.db2.gz RFDWNGQKDIGANZ-UONOGXRCSA-N 1 0 270.417 2.037 10 0 CEAERO CCCCOC[C@@H](O)C[N@H+](C)[C@H](C)c1cccnc1 ZINC000248655646 280357825 /nfs/dbraw/zinc/35/78/25/280357825.db2.gz QQANICQEUZYOJJ-HIFRSBDPSA-N 1 0 266.385 2.252 10 0 CEAERO C[C@@H](C[NH2+][C@@H]1CC(C)(C)C[C@H]1C)N1CCOCC1 ZINC000248876232 280370742 /nfs/dbraw/zinc/37/07/42/280370742.db2.gz QTNJNGYAPNFNRN-HZSPNIEDSA-N 1 0 254.418 2.121 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CCCO2)C12CCOCC2 ZINC000248924876 280373731 /nfs/dbraw/zinc/37/37/31/280373731.db2.gz FRMKQXNKHJOQHA-APIJFGDWSA-N 1 0 283.412 2.118 10 0 CEAERO CC(=O)[C@@H]1C[C@H](C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)C1(C)C ZINC000249076746 280382848 /nfs/dbraw/zinc/38/28/48/280382848.db2.gz ODCUTIBLPWJMLQ-SPWCGHHHSA-N 1 0 294.439 2.083 10 0 CEAERO Cc1cc(N2CCC[C@H]([NH3+])C2)ncc1Br ZINC000163952832 280554169 /nfs/dbraw/zinc/55/41/69/280554169.db2.gz DSIDHCRWNZIFGU-VIFPVBQESA-N 1 0 270.174 2.080 10 0 CEAERO Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000423639906 281072788 /nfs/dbraw/zinc/07/27/88/281072788.db2.gz JSQSRFXXQQCXSX-NQBHXWOUSA-N 1 0 296.798 2.364 10 0 CEAERO CC[C@H]1CC[C@H](C(=O)N[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000262278493 281112199 /nfs/dbraw/zinc/11/21/99/281112199.db2.gz UIAZBVFXNDLJGO-SYQHCUMBSA-N 1 0 252.402 2.446 10 0 CEAERO Cc1nc2ccc(NC(=O)C3([NH3+])CCOCC3)cc2s1 ZINC000132093759 282066414 /nfs/dbraw/zinc/06/64/14/282066414.db2.gz RTNIXSZQHVHPQQ-UHFFFAOYSA-N 1 0 291.376 2.051 10 0 CEAERO CCC[C@@H](C(=O)Nc1cc(C(=O)OC)cs1)[NH+](C)C ZINC000154763130 289154679 /nfs/dbraw/zinc/15/46/79/289154679.db2.gz KLENNKYBRZDNBO-JTQLQIEISA-N 1 0 284.381 2.204 10 0 CEAERO 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IAKLKLXCSYQSLP-ZJUUUORDSA-N 1 0 255.280 2.113 10 0 CEAERO CCC[NH2+]Cc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000052382314 519953542 /nfs/dbraw/zinc/95/35/42/519953542.db2.gz XKGDXBOWWKQZDO-AWEZNQCLSA-N 1 0 262.397 2.407 10 0 CEAERO CC[NH2+]C[C@@H]1CC[C@H](CN(C)Cc2csc(C)n2)O1 ZINC000052505947 519953609 /nfs/dbraw/zinc/95/36/09/519953609.db2.gz DXOKFDFBHQAHKG-UONOGXRCSA-N 1 0 283.441 2.040 10 0 CEAERO CC[NH2+]C[C@@H]1CC[C@H](COCCc2cccs2)O1 ZINC000052707524 519955030 /nfs/dbraw/zinc/95/50/30/519955030.db2.gz SVQCCJNEBHBVTQ-QWHCGFSZSA-N 1 0 269.410 2.464 10 0 CEAERO CCC[NH2+]Cc1nnnn1[C@@H](C)C1CCCCC1 ZINC000054746811 519970015 /nfs/dbraw/zinc/97/00/15/519970015.db2.gz FLBBGUDLSAOULW-NSHDSACASA-N 1 0 251.378 2.314 10 0 CEAERO CCC[NH2+]Cc1nnnn1[C@H](C)c1ccc(C)cc1 ZINC000054747980 519971830 /nfs/dbraw/zinc/97/18/30/519971830.db2.gz IBQONZSFXOYWFG-GFCCVEGCSA-N 1 0 259.357 2.090 10 0 CEAERO CC[NH2+]Cc1nc(CN2CCC(C)CC2)cs1 ZINC000052376801 520020767 /nfs/dbraw/zinc/02/07/67/520020767.db2.gz HKJUFGMGTAJOTJ-UHFFFAOYSA-N 1 0 253.415 2.485 10 0 CEAERO CC[NH2+]Cc1nc(CN2C[C@@H](C)OC(C)(C)C2)cs1 ZINC000052543340 520019621 /nfs/dbraw/zinc/01/96/21/520019621.db2.gz DURXWQJOXRHUOD-LLVKDONJSA-N 1 0 283.441 2.252 10 0 CEAERO CC[NH2+]Cc1sc(N2CCO[C@H](C)C2)nc1C1CC1 ZINC000069146717 520034818 /nfs/dbraw/zinc/03/48/18/520034818.db2.gz QRYSDBPQBQIEJE-SNVBAGLBSA-N 1 0 281.425 2.355 10 0 CEAERO CCCN[C@@](C)(C[C@@H](C)[N@H+](C)[C@@H](C)C(C)(C)C)C(N)=O ZINC000068630334 520042563 /nfs/dbraw/zinc/04/25/63/520042563.db2.gz LORLQKBXZOZNHX-WWGRRREGSA-N 1 0 285.476 2.375 10 0 CEAERO CCC[NH2+][C@H](C)c1cnc(N2CCN(CC)CC2)s1 ZINC000054899392 520066928 /nfs/dbraw/zinc/06/69/28/520066928.db2.gz OOHJVEBVXZKCOD-GFCCVEGCSA-N 1 0 282.457 2.346 10 0 CEAERO CCC[NH2+][C@H](CC[N@H+](C)[C@@H](C)CC(C)C)C(=O)[O-] ZINC000062524193 520072626 /nfs/dbraw/zinc/07/26/26/520072626.db2.gz MUYOJGQJMFJUSN-QWHCGFSZSA-N 1 0 258.406 2.196 10 0 CEAERO CC[NH2+][C@@H](C)Cc1nc(-c2ccccc2OC)no1 ZINC000061212988 520073085 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ZINC000052695277 520410226 /nfs/dbraw/zinc/41/02/26/520410226.db2.gz MRQDWTLMDJPYNZ-GJZGRUSLSA-N 1 0 265.353 2.361 10 0 CEAERO CCC[C@@H](C)[N@H+](C)C[C@](NCC)(C(=O)OC)C1CC1 ZINC000069100272 520645643 /nfs/dbraw/zinc/64/56/43/520645643.db2.gz NZJQMULQMKNXNK-IUODEOHRSA-N 1 0 270.417 2.038 10 0 CEAERO CCOC(=O)[C@@H](CC[N@H+](C)C1CCC(CC)CC1)NC ZINC000062525880 521054859 /nfs/dbraw/zinc/05/48/59/521054859.db2.gz FPJIJYRLOLJDGK-YMAMQOFZSA-N 1 0 284.444 2.428 10 0 CEAERO CCOC(=O)[C@@](C)([NH3+])C[C@@H](C)n1cc(C(F)(F)F)cn1 ZINC000068650416 521155403 /nfs/dbraw/zinc/15/54/03/521155403.db2.gz LWBGDRQVSFLZKN-KCJUWKMLSA-N 1 0 293.289 2.134 10 0 CEAERO CCC(C)(C)[N@H+](C)CCCC[C@@](C)([NH2+]C1CC1)C(N)=O ZINC000069446662 521300899 /nfs/dbraw/zinc/30/08/99/521300899.db2.gz GXJKWRFMCSYURE-MRXNPFEDSA-N 1 0 283.460 2.273 10 0 CEAERO CCC[N@H+](C)C[C@](NC(C)C)(C(=O)OCC)C1CC1 ZINC000069096954 521501048 /nfs/dbraw/zinc/50/10/48/521501048.db2.gz UJCOJKNWYWIUHJ-OAHLLOKOSA-N 1 0 270.417 2.038 10 0 CEAERO CCCc1nc(N2CCC[C@H]2C[NH+](C)C)sc1C=O ZINC000061655553 521532618 /nfs/dbraw/zinc/53/26/18/521532618.db2.gz QNSYXTKDZMKSEB-NSHDSACASA-N 1 0 281.425 2.439 10 0 CEAERO CCC(CC)N(C)c1c(C[NH2+]CCOC)c(C)nn1C ZINC000062736053 521542959 /nfs/dbraw/zinc/54/29/59/521542959.db2.gz NVCFAZJUHJDJLG-UHFFFAOYSA-N 1 0 282.432 2.089 10 0 CEAERO CCC[N@H+](CC[C@H](NCC)C(=O)OCC)C(C)C ZINC000062446625 521670332 /nfs/dbraw/zinc/67/03/32/521670332.db2.gz JRJCNXKIUCJSNV-ZDUSSCGKSA-N 1 0 258.406 2.038 10 0 CEAERO COCC[C@@H]([NH3+])c1nc(-c2cccs2)c(C)[nH]1 ZINC000052811179 521832002 /nfs/dbraw/zinc/83/20/02/521832002.db2.gz ZDMWECIMLDOMKW-SECBINFHSA-N 1 0 251.355 2.483 10 0 CEAERO C[NH2+]C(C)(C)C(=O)Nc1cccc(NC(=O)C(C)C)c1 ZINC000061316268 521942593 /nfs/dbraw/zinc/94/25/93/521942593.db2.gz QPBQOSMKICTTGD-UHFFFAOYSA-N 1 0 277.368 2.218 10 0 CEAERO C[NH2+]C(C)(C)CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000061319533 521944562 /nfs/dbraw/zinc/94/45/62/521944562.db2.gz MCZPMOWEBACCHX-UHFFFAOYSA-N 1 0 281.831 2.460 10 0 CEAERO C[NH2+]CC[C@H](C)N1CCN(c2cccc(Cl)c2)CC1 ZINC000052419005 522019309 /nfs/dbraw/zinc/01/93/09/522019309.db2.gz XJGMMGLBBWSHIQ-ZDUSSCGKSA-N 1 0 281.831 2.460 10 0 CEAERO C[NH2+]C[C@@H](OC[C@@H]1CCOC1)c1cccc(F)c1 ZINC000050501578 522035537 /nfs/dbraw/zinc/03/55/37/522035537.db2.gz BBXUIENHKGVTAG-BXUZGUMPSA-N 1 0 253.317 2.139 10 0 CEAERO C[NH2+]Cc1sc(N2CCO[C@H](C)C2)nc1C(C)(C)C ZINC000054995721 522167125 /nfs/dbraw/zinc/16/71/25/522167125.db2.gz LPPMKUZPEPQLOH-SNVBAGLBSA-N 1 0 283.441 2.385 10 0 CEAERO COC(=O)c1cc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)cs1 ZINC000412050897 533804356 /nfs/dbraw/zinc/80/43/56/533804356.db2.gz VEEZLRJZTBTHDL-RWMBFGLXSA-N 1 0 295.404 2.128 10 0 CEAERO CC[C@H]([NH3+])Cc1c(C)nn(CCOCC(F)(F)F)c1C ZINC000054741273 522331671 /nfs/dbraw/zinc/33/16/71/522331671.db2.gz WJWCAHHIQWEYLY-NSHDSACASA-N 1 0 293.333 2.359 10 0 CEAERO C[NH2+][C@@H](CCCS(C)(=O)=O)c1ccccc1Cl ZINC000063017236 522344395 /nfs/dbraw/zinc/34/43/95/522344395.db2.gz GEYMZBHSSLMJIL-LBPRGKRZSA-N 1 0 275.801 2.425 10 0 CEAERO C[NH2+][C@@H]1CC(C)(C)Cc2nc(N(C)CCOC)sc21 ZINC000054909060 522375436 /nfs/dbraw/zinc/37/54/36/522375436.db2.gz QQJMZQXRBQGDDT-SNVBAGLBSA-N 1 0 283.441 2.459 10 0 CEAERO C[NH2+][C@H]1COc2cc(OCc3cscn3)ccc21 ZINC000062804182 522508165 /nfs/dbraw/zinc/50/81/65/522508165.db2.gz HPWBHMHVKDBQHX-LBPRGKRZSA-N 1 0 262.334 2.375 10 0 CEAERO C[NH2+][C@](CSCc1cccc(C)c1)(C(N)=O)C1CC1 ZINC000069189851 522532439 /nfs/dbraw/zinc/53/24/39/522532439.db2.gz OKOBNBOJLOQYNC-HNNXBMFYSA-N 1 0 278.421 2.082 10 0 CEAERO CCc1nc(CC)n([C@H](c2cccc(F)c2)[C@H](C)[NH3+])n1 ZINC000088740012 517861976 /nfs/dbraw/zinc/86/19/76/517861976.db2.gz WOLLVVGQCJQXBN-BONVTDFDSA-N 1 0 276.359 2.479 10 0 CEAERO C[NH2+][C@@](C)(C[C@H](C)Sc1cccc(C)c1)C(N)=O ZINC000084351444 517977093 /nfs/dbraw/zinc/97/70/93/517977093.db2.gz OZWQWXGDZQTMQE-FZMZJTMJSA-N 1 0 266.410 2.329 10 0 CEAERO COC[C@H]1CC[N@H+](C[C@@H]2CC(C)(C)CCC2=O)C1 ZINC000081115268 518092335 /nfs/dbraw/zinc/09/23/35/518092335.db2.gz GKDWPHUFMVSERE-STQMWFEESA-N 1 0 253.386 2.350 10 0 CEAERO CC(=O)c1cccc(NC(=O)C[C@@H]2CCC[NH2+]C2)c1 ZINC000054308864 518432251 /nfs/dbraw/zinc/43/22/51/518432251.db2.gz JOGIOBSHGDKLFI-LBPRGKRZSA-N 1 0 260.337 2.217 10 0 CEAERO C/C=C/COc1cc(C[NH2+]CCOC)ccc1OC ZINC000062732618 518518812 /nfs/dbraw/zinc/51/88/12/518518812.db2.gz RVTVDTQUANRNHG-SNAWJCMRSA-N 1 0 265.353 2.386 10 0 CEAERO CC(C)(C)[NH2+]CC1([C@@H]2CCS(=O)(=O)C2)CCCC1 ZINC000054655936 518756037 /nfs/dbraw/zinc/75/60/37/518756037.db2.gz IGYNVRKEISDJPA-GFCCVEGCSA-N 1 0 273.442 2.370 10 0 CEAERO CC(C)(C)[NH2+]Cc1cnc(Cc2ccccn2)nc1 ZINC000054856466 518767609 /nfs/dbraw/zinc/76/76/09/518767609.db2.gz KINGBESJSXCCQZ-UHFFFAOYSA-N 1 0 256.353 2.351 10 0 CEAERO CC(C)C[C@@H]([NH2+][C@H](C)Cc1ccco1)C(=O)N(C)C ZINC000062769978 519254330 /nfs/dbraw/zinc/25/43/30/519254330.db2.gz QBOBWBKMXUHFNF-TZMCWYRMSA-N 1 0 266.385 2.303 10 0 CEAERO CC(C)(C[NH2+]C1CC1)[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000054638340 519265190 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CC(C)[NH2+][C@H](CCOc1cccc(C(C)C)c1)C(N)=O ZINC000062548082 519738575 /nfs/dbraw/zinc/73/85/75/519738575.db2.gz NRINTQVHFBLFRM-OAHLLOKOSA-N 1 0 278.396 2.431 10 0 CEAERO CC(C)Nc1ccccc1C(=O)NC1CC[NH+](C)CC1 ZINC000062819451 519741654 /nfs/dbraw/zinc/74/16/54/519741654.db2.gz HSJGMGHYLDDZPL-UHFFFAOYSA-N 1 0 275.396 2.331 10 0 CEAERO CC(C)C[NH2+]C[C@@H](c1ccccc1)N1CCS(=O)CC1 ZINC000052516542 519744867 /nfs/dbraw/zinc/74/48/67/519744867.db2.gz HGSKVDSAOBTGQK-INIZCTEOSA-N 1 0 294.464 2.038 10 0 CEAERO CC(C)COCCCC[C@](C)([NH2+]C(C)C)C(N)=O ZINC000045479560 519752637 /nfs/dbraw/zinc/75/26/37/519752637.db2.gz LTTWLTKGXQKKTH-AWEZNQCLSA-N 1 0 258.406 2.071 10 0 CEAERO CC(C)OCCN1C[C@@H](C(C)C)[NH2+]C[C@H]1C(C)C ZINC000062626406 519766574 /nfs/dbraw/zinc/76/65/74/519766574.db2.gz MIVBHNLCTVDGLW-GJZGRUSLSA-N 1 0 256.434 2.366 10 0 CEAERO CC(C)OCCOC[C@@H](O)C[NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000068582205 519768794 /nfs/dbraw/zinc/76/87/94/519768794.db2.gz JINZURLOUZMRSZ-UGUYLWEFSA-N 1 0 287.444 2.203 10 0 CEAERO CC(C)OCCOC[C@@H](O)C[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000068582211 519768795 /nfs/dbraw/zinc/76/87/95/519768795.db2.gz JINZURLOUZMRSZ-QXSJWSMHSA-N 1 0 287.444 2.203 10 0 CEAERO CC(C)[C@@H](CN(C)C)[NH2+]Cc1cnc2ccccc2n1 ZINC000049198464 519793824 /nfs/dbraw/zinc/79/38/24/519793824.db2.gz JCXMMBUKZHPHBE-MRXNPFEDSA-N 1 0 272.396 2.306 10 0 CEAERO CC(C)[C@@H](CN(C)C)[NH2+][C@@H](C)c1ccc(NC(N)=O)cc1 ZINC000049198868 519793965 /nfs/dbraw/zinc/79/39/65/519793965.db2.gz KADVCXIIFYEIHF-SWLSCSKDSA-N 1 0 292.427 2.414 10 0 CEAERO CC(C)[C@H](C)[C@H]([NH3+])c1ccc2c(c1)n(C)c(=O)n2C ZINC000070123884 519813294 /nfs/dbraw/zinc/81/32/94/519813294.db2.gz NUOMPTGAFBEVSL-HZMBPMFUSA-N 1 0 261.369 2.169 10 0 CEAERO CC(C)[C@H](CN(C)C)[NH2+]CC(=O)Nc1c(F)cccc1F ZINC000049205000 519814303 /nfs/dbraw/zinc/81/43/03/519814303.db2.gz IXVWNDZFAGRCJU-ZDUSSCGKSA-N 1 0 299.365 2.079 10 0 CEAERO CC(C)[C@H](NC(=O)[C@@H]1CC[NH2+]C1)c1cccs1 ZINC000062113859 519819613 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ZINC000062803379 519864695 /nfs/dbraw/zinc/86/46/95/519864695.db2.gz DEXAMIAGPLMFJB-NSHDSACASA-N 1 0 275.308 2.164 10 0 CEAERO CC(C)C1N=NC(=S)N1C[C@H](C)C[NH+]1CCCC1 ZINC000062079475 519890945 /nfs/dbraw/zinc/89/09/45/519890945.db2.gz DEWXAKDRFXLCTQ-LLVKDONJSA-N 1 0 268.430 2.422 10 0 CEAERO CCOCCC[NH2+]CCOc1cccc(F)c1F ZINC000062655215 519897036 /nfs/dbraw/zinc/89/70/36/519897036.db2.gz HTBUORNENINXHQ-UHFFFAOYSA-N 1 0 259.296 2.360 10 0 CEAERO CCOCCC[NH2+]C[C@@H](C)N(C)Cc1ccc(C)o1 ZINC000053490728 519896715 /nfs/dbraw/zinc/89/67/15/519896715.db2.gz KSWVJTLUYIOTPG-CYBMUJFWSA-N 1 0 268.401 2.425 10 0 CEAERO CCOCCC[NH2+]CCn1c(=O)ccc2ccccc21 ZINC000070340031 519896905 /nfs/dbraw/zinc/89/69/05/519896905.db2.gz IJBARRPXPJTDFW-UHFFFAOYSA-N 1 0 274.364 2.018 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N(C)CCOc1ccc(F)cc1 ZINC000061294362 519903513 /nfs/dbraw/zinc/90/35/13/519903513.db2.gz HLWCLZGSXKFFHG-UHFFFAOYSA-N 1 0 282.359 2.051 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000061289783 519904690 /nfs/dbraw/zinc/90/46/90/519904690.db2.gz YUCOADLFZYGFDI-STQMWFEESA-N 1 0 252.402 2.413 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1ccc2[nH]c(C)nc2c1 ZINC000061292635 519907463 /nfs/dbraw/zinc/90/74/63/519907463.db2.gz RVYROYSOWBDVIF-UHFFFAOYSA-N 1 0 260.341 2.198 10 0 CEAERO CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccnc(C)n1 ZINC000054602385 519910044 /nfs/dbraw/zinc/91/00/44/519910044.db2.gz AHOPHXNTMCGAHK-MQVJKMGUSA-N 1 0 274.412 2.280 10 0 CEAERO CC[NH2+]CCC(=O)N(C)CCOc1ccccc1Cl ZINC000061294381 519915406 /nfs/dbraw/zinc/91/54/06/519915406.db2.gz UHCQWOKWVIYHAE-UHFFFAOYSA-N 1 0 284.787 2.177 10 0 CEAERO CC[NH2+]CCC[C@H](C)n1nnc(-c2ccccc2)n1 ZINC000052574667 519919777 /nfs/dbraw/zinc/91/97/77/519919777.db2.gz HXHZZBJNFZZACU-LBPRGKRZSA-N 1 0 259.357 2.291 10 0 CEAERO CC[NH2+]CCCn1nc(C)c(Br)c1C ZINC000050594639 519920907 /nfs/dbraw/zinc/92/09/07/519920907.db2.gz VDVFJILSRRFQHK-UHFFFAOYSA-N 1 0 260.179 2.262 10 0 CEAERO CCC[NH2+]C[C@@H](C)c1c(C)nc(N2CCOCC2)nc1C ZINC000054854930 519921143 /nfs/dbraw/zinc/92/11/43/519921143.db2.gz SCDGPQSJACRROJ-GFCCVEGCSA-N 1 0 292.427 2.033 10 0 CEAERO CCC[NH2+]C[C@@H]1CCN(c2cnn(C(C)C)c2)C1 ZINC000061683445 519924426 /nfs/dbraw/zinc/92/44/26/519924426.db2.gz HNFJFTPXXIMDAG-ZDUSSCGKSA-N 1 0 250.390 2.290 10 0 CEAERO CC[NH2+]CCc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000051784503 519927460 /nfs/dbraw/zinc/92/74/60/519927460.db2.gz FQBJOIWZGNERJO-UHFFFAOYSA-N 1 0 271.242 2.306 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N(CC)CCc1ccccc1 ZINC000061236783 519933723 /nfs/dbraw/zinc/93/37/23/519933723.db2.gz VOZSTWHFVIZRNO-CQSZACIVSA-N 1 0 262.397 2.323 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N[C@H](C)c1ccc(OC)cc1OC ZINC000061230864 519937565 /nfs/dbraw/zinc/93/75/65/519937565.db2.gz WQMDQARQMWHQBF-VXGBXAGGSA-N 1 0 294.395 2.127 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000061227414 519941369 /nfs/dbraw/zinc/94/13/69/519941369.db2.gz MHFVWAWVUMPFPX-LLVKDONJSA-N 1 0 278.352 2.032 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1cccc(C(=O)NC(C)C)c1 ZINC000061231977 519941983 /nfs/dbraw/zinc/94/19/83/519941983.db2.gz WOQGKNZASIOKTC-GFCCVEGCSA-N 1 0 291.395 2.009 10 0 CEAERO CC[NH2+]C[C@@H](OCCOC)c1ccccc1OC ZINC000050496037 519947355 /nfs/dbraw/zinc/94/73/55/519947355.db2.gz QSPMOIUZPKJIJL-CQSZACIVSA-N 1 0 253.342 2.009 10 0 CEAERO CC[NH2+]C[C@@H]1CC[C@H](COc2cccc(OC)c2)O1 ZINC000052655238 519955898 /nfs/dbraw/zinc/95/58/98/519955898.db2.gz PWEKMWKKQGSVOV-LSDHHAIUSA-N 1 0 265.353 2.231 10 0 CEAERO CC[NH2+]C[C@@](C)(O)c1ccccc1Br ZINC000055032801 519957388 /nfs/dbraw/zinc/95/73/88/519957388.db2.gz DMQGVGMOTFTSHF-LLVKDONJSA-N 1 0 258.159 2.266 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N(C)CCOc1cccc(C)c1 ZINC000061236900 519958852 /nfs/dbraw/zinc/95/88/52/519958852.db2.gz XTMFJVJNBGBMHX-AWEZNQCLSA-N 1 0 278.396 2.078 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N(CC(C)C)CC(F)(F)F ZINC000061236656 519959239 /nfs/dbraw/zinc/95/92/39/519959239.db2.gz VJSRZIXZKNBRHC-JTQLQIEISA-N 1 0 268.323 2.279 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000061230292 519961656 /nfs/dbraw/zinc/96/16/56/519961656.db2.gz JRXXNSMZHMWPHF-MELADBBJSA-N 1 0 252.402 2.271 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N1CC[C@H](c2ccccc2)C1 ZINC000061268199 519962308 /nfs/dbraw/zinc/96/23/08/519962308.db2.gz RIRCFRRZTAVFHL-ZFWWWQNUSA-N 1 0 260.381 2.248 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000061233344 519968383 /nfs/dbraw/zinc/96/83/83/519968383.db2.gz QIFOEHOUJJIGTC-NSHDSACASA-N 1 0 272.352 2.261 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccc2ncccc2c1 ZINC000061268395 519968196 /nfs/dbraw/zinc/96/81/96/519968196.db2.gz UPMSODDPSWCSHR-NSHDSACASA-N 1 0 257.337 2.419 10 0 CEAERO CCC[NH2+]Cc1nnnn1-c1cccc2c1CCCC2 ZINC000054745019 519970565 /nfs/dbraw/zinc/97/05/65/519970565.db2.gz LFPFTYJEFIMWPB-UHFFFAOYSA-N 1 0 271.368 2.041 10 0 CEAERO CC[NH2+]C[C@H](C)c1nc2cc(Br)cnc2[nH]1 ZINC000061219416 519971329 /nfs/dbraw/zinc/97/13/29/519971329.db2.gz QWZFRJNGYQJQSA-ZETCQYMHSA-N 1 0 283.173 2.433 10 0 CEAERO CC[NH2+]C[C@H](CCS(C)(=O)=O)Cc1cccc(C)c1 ZINC000052976514 519971538 /nfs/dbraw/zinc/97/15/38/519971538.db2.gz LHARDEYHGCUQGX-OAHLLOKOSA-N 1 0 283.437 2.198 10 0 CEAERO CC[NH2+]C[C@H](C[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 ZINC000052950599 519972525 /nfs/dbraw/zinc/97/25/25/519972525.db2.gz LULQIYKZSYVHER-XQQFMLRXSA-N 1 0 261.431 2.083 10 0 CEAERO CCC[NH2+]Cc1nnnn1[C@H]1CCCc2sccc21 ZINC000061367316 519973562 /nfs/dbraw/zinc/97/35/62/519973562.db2.gz VOQQANNNHRSJRS-NSHDSACASA-N 1 0 277.397 2.160 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccccc1N1CCNC(=O)CC1 ZINC000062101096 519991097 /nfs/dbraw/zinc/99/10/97/519991097.db2.gz RFPQPMNSJMAUOK-ZDUSSCGKSA-N 1 0 275.396 2.074 10 0 CEAERO CC[NH2+]Cc1cc(Cn2ncc3ccccc32)on1 ZINC000052574141 519992958 /nfs/dbraw/zinc/99/29/58/519992958.db2.gz DUKCTNSINNKZJS-UHFFFAOYSA-N 1 0 256.309 2.182 10 0 CEAERO CC[NH2+]Cc1cc(OC)c(OC)cc1-c1cnccn1 ZINC000069499240 519993518 /nfs/dbraw/zinc/99/35/18/519993518.db2.gz CGBDBIUWXLCAFQ-UHFFFAOYSA-N 1 0 273.336 2.270 10 0 CEAERO CCOCCOC[C@H](O)C[NH2+][C@H](CC)C1CCCCC1 ZINC000052338848 519999695 /nfs/dbraw/zinc/99/96/95/519999695.db2.gz GLMOODSJTFCPPT-HZPDHXFCSA-N 1 0 287.444 2.349 10 0 CEAERO CC[NH2+]Cc1coc(CN2C[C@@H](C)OC[C@@H]2CC)c1 ZINC000052571088 520017989 /nfs/dbraw/zinc/01/79/89/520017989.db2.gz FOZGUGVXPMRQJD-OCCSQVGLSA-N 1 0 266.385 2.388 10 0 CEAERO CCC[NH2+][C@@H]1CCCC[C@H]1CCCS(C)(=O)=O ZINC000063015809 520020920 /nfs/dbraw/zinc/02/09/20/520020920.db2.gz ISGZLSYURASSCW-QWHCGFSZSA-N 1 0 261.431 2.370 10 0 CEAERO CCC[NH2+][C@@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000049649250 520024383 /nfs/dbraw/zinc/02/43/83/520024383.db2.gz KKGUEJFVAJOERE-SMDDNHRTSA-N 1 0 264.344 2.487 10 0 CEAERO CC[NH2+]Cc1sc(N2CCO[C@@H](CC)C2)nc1CC ZINC000054997407 520034746 /nfs/dbraw/zinc/03/47/46/520034746.db2.gz SNRZOVUSFKITQK-NSHDSACASA-N 1 0 283.441 2.430 10 0 CEAERO CCN(C(=O)[C@@]1(C)CC[NH2+]C1)c1ccccc1F ZINC000062903188 520037797 /nfs/dbraw/zinc/03/77/97/520037797.db2.gz MJYOHORZJKZEIZ-AWEZNQCLSA-N 1 0 250.317 2.178 10 0 CEAERO CCCN[C@@](C[N@H+](C)CC(C)(C)C)(C(=O)OC)C1CC1 ZINC000069132493 520047807 /nfs/dbraw/zinc/04/78/07/520047807.db2.gz PTUDLINHJFLHNB-MRXNPFEDSA-N 1 0 284.444 2.286 10 0 CEAERO CCC[NH2+][C@@](COc1cc(C)cc(C)c1)(C(N)=O)C1CC1 ZINC000069197366 520057076 /nfs/dbraw/zinc/05/70/76/520057076.db2.gz YOHYWIZXULXSJA-QGZVFWFLSA-N 1 0 290.407 2.316 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N(C)c1ccc(OC)cc1 ZINC000061274528 520060299 /nfs/dbraw/zinc/06/02/99/520060299.db2.gz YLQDBKASYWZVMR-NSHDSACASA-N 1 0 250.342 2.046 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)NCc1cccc(OCC)c1 ZINC000061271396 520065537 /nfs/dbraw/zinc/06/55/37/520065537.db2.gz VPMVIXNZTFLTQI-LBPRGKRZSA-N 1 0 264.369 2.090 10 0 CEAERO CCC[NH2+][C@H](C)c1ccccc1NC(=O)[C@H]1COCCO1 ZINC000055297736 520065895 /nfs/dbraw/zinc/06/58/95/520065895.db2.gz IXXVXWZCGRKOFQ-IUODEOHRSA-N 1 0 292.379 2.101 10 0 CEAERO CCC[NH2+][C@H](C)c1cnc(N2CCOC[C@@H]2C)s1 ZINC000054903564 520067961 /nfs/dbraw/zinc/06/79/61/520067961.db2.gz LDWAYSJZPFSZEQ-WDEREUQCSA-N 1 0 269.414 2.429 10 0 CEAERO CC[NH2+][C@@H](C)c1ccccc1NC(=O)c1cn[nH]c1 ZINC000062775446 520078684 /nfs/dbraw/zinc/07/86/84/520078684.db2.gz PNLCXTCBOLQBPW-JTQLQIEISA-N 1 0 258.325 2.333 10 0 CEAERO CC[NH2+][C@@H](CC)Cn1c2ccccc2nc(C)c1=O ZINC000052099138 520081581 /nfs/dbraw/zinc/08/15/81/520081581.db2.gz IDXGSTKKYLNANM-LBPRGKRZSA-N 1 0 259.353 2.093 10 0 CEAERO CC[NH2+][C@@H](CC[NH+]1CCC2(CCCCC2)CC1)C(=O)[O-] ZINC000062532857 520088488 /nfs/dbraw/zinc/08/84/88/520088488.db2.gz YVZLWIGHQMYWCR-AWEZNQCLSA-N 1 0 282.428 2.486 10 0 CEAERO CCC[NH2+][C@H]1CCC[C@H]1S(=O)(=O)c1ccccc1 ZINC000061702881 520093927 /nfs/dbraw/zinc/09/39/27/520093927.db2.gz YKWHKASWZBPRCJ-UONOGXRCSA-N 1 0 267.394 2.381 10 0 CEAERO CCCCCCOC[C@H](O)C[NH2+][C@@H](CO)c1ccccc1 ZINC000063002312 520101365 /nfs/dbraw/zinc/10/13/65/520101365.db2.gz FANPCGAKDOYBLK-SJORKVTESA-N 1 0 295.423 2.267 10 0 CEAERO CC[NH2+][C@@H](COc1cc(OC)cc(OC)c1)C1CC1 ZINC000069085060 520102041 /nfs/dbraw/zinc/10/20/41/520102041.db2.gz CEIYEJXXUHEJQE-HNNXBMFYSA-N 1 0 265.353 2.471 10 0 CEAERO CCOC[C@@H](O)CNc1ccc([NH+](CC)CC)cc1 ZINC000069278697 520102710 /nfs/dbraw/zinc/10/27/10/520102710.db2.gz KKDJJTBIRWMGCB-HNNXBMFYSA-N 1 0 266.385 2.342 10 0 CEAERO CC[NH2+][C@@H](Cc1ccc(OC)c(OC)c1)[C@H]1CCOC1 ZINC000048627687 520104035 /nfs/dbraw/zinc/10/40/35/520104035.db2.gz LURBAYCLFBDDDC-KBPBESRZSA-N 1 0 279.380 2.261 10 0 CEAERO CCN(C(=O)c1ccccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000058233840 520104220 /nfs/dbraw/zinc/10/42/20/520104220.db2.gz VJUPDQJLCYOXRL-SNVBAGLBSA-N 1 0 252.745 2.164 10 0 CEAERO CCC[NH2+][C@](C)(CCN(CC)c1ccc(F)cc1)C(N)=O ZINC000050012881 520104761 /nfs/dbraw/zinc/10/47/61/520104761.db2.gz OOXIOTOUDOHHGR-MRXNPFEDSA-N 1 0 295.402 2.286 10 0 CEAERO CC[NH2+][C@@H](c1cc(OC)c(OC)cc1C)[C@@H]1COCCO1 ZINC000055300912 520109147 /nfs/dbraw/zinc/10/91/47/520109147.db2.gz SHLSKPXPAUPKJR-HOTGVXAUSA-N 1 0 295.379 2.078 10 0 CEAERO CC[NH2+][C@@H](c1ccc(OC)c(F)c1)c1cnccn1 ZINC000055264013 520110465 /nfs/dbraw/zinc/11/04/65/520110465.db2.gz UFPWULHCBGOWPH-AWEZNQCLSA-N 1 0 261.300 2.323 10 0 CEAERO CCCN[C@](C)(C[C@H](C)[N@H+](C)CC1CC1)C(=O)OCC ZINC000068627763 520111985 /nfs/dbraw/zinc/11/19/85/520111985.db2.gz OFLKNLIURSVXGC-XJKSGUPXSA-N 1 0 284.444 2.428 10 0 CEAERO CC[NH2+][C@@H](c1ccc2c(c1)CCCO2)[C@H]1COCCO1 ZINC000055301019 520112207 /nfs/dbraw/zinc/11/22/07/520112207.db2.gz WDFIWFHPSIDVMA-CVEARBPZSA-N 1 0 277.364 2.078 10 0 CEAERO CC[NH2+][C@@H]1COc2cc(O[C@@H]3CCC[C@@H]3O)ccc21 ZINC000062804751 520124610 /nfs/dbraw/zinc/12/46/10/520124610.db2.gz XJLAGLHXBIFNOC-HZSPNIEDSA-N 1 0 263.337 2.022 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2C[C@@H]1Cc1cnn(C)c1 ZINC000050540784 520126947 /nfs/dbraw/zinc/12/69/47/520126947.db2.gz SDRBBYADEVHNMZ-HOCLYGCPSA-N 1 0 255.365 2.486 10 0 CEAERO CC[NH2+][C@@](C)(CC[NH+]1CCC2(CCCC2)CC1)C(=O)[O-] ZINC000062956564 520133480 /nfs/dbraw/zinc/13/34/80/520133480.db2.gz MIRWTVUSUCLZRT-HNNXBMFYSA-N 1 0 282.428 2.486 10 0 CEAERO CC[NH2+][C@@](C)(CCSCc1ccccc1C)C(N)=O ZINC000054964840 520135557 /nfs/dbraw/zinc/13/55/57/520135557.db2.gz MBOWAHZRZQXBOM-HNNXBMFYSA-N 1 0 280.437 2.472 10 0 CEAERO CCN[C@@](C)(C[C@@H](C)[NH+]1CCC(C)CC1)C(=O)OCC ZINC000068618612 520139035 /nfs/dbraw/zinc/13/90/35/520139035.db2.gz MCQKYVMZSRXWAG-ZBFHGGJFSA-N 1 0 284.444 2.428 10 0 CEAERO CCN[C@@](C)(C[C@H](C)[N@@H+]1CCCC(C)(C)C1)C(=O)OC ZINC000068647818 520144778 /nfs/dbraw/zinc/14/47/78/520144778.db2.gz USVDOIFTUFBNNC-BBRMVZONSA-N 1 0 284.444 2.428 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000061269951 520164628 /nfs/dbraw/zinc/16/46/28/520164628.db2.gz VDBAJTBGMCVKKQ-HZSPNIEDSA-N 1 0 252.402 2.413 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N1CCC[C@@H]1c1cccnc1 ZINC000061269827 520164883 /nfs/dbraw/zinc/16/48/83/520164883.db2.gz ZTRRTZQTJPSLFK-TZMCWYRMSA-N 1 0 261.369 2.133 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1cc(C(=O)OC)ccc1C ZINC000061270346 520168057 /nfs/dbraw/zinc/16/80/57/520168057.db2.gz QABJENIPYJYCKM-LLVKDONJSA-N 1 0 278.352 2.108 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1ccc(-c2nnco2)cc1C ZINC000061271321 520169627 /nfs/dbraw/zinc/16/96/27/520169627.db2.gz CYALHYVLEPXYNT-LLVKDONJSA-N 1 0 288.351 2.372 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1cccc(C(=O)OCC)c1 ZINC000061273913 520171087 /nfs/dbraw/zinc/17/10/87/520171087.db2.gz GTZIEYCBCVWXIG-LLVKDONJSA-N 1 0 278.352 2.190 10 0 CEAERO CC[NH2+][C@H](C)[C@H](C)Oc1cc(OC)cc(OC)c1 ZINC000068967198 520176251 /nfs/dbraw/zinc/17/62/51/520176251.db2.gz JHIPDMSNLJVKNT-MNOVXSKESA-N 1 0 253.342 2.469 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(F)cc1O[C@H](C)C(=O)OC ZINC000062746747 520177535 /nfs/dbraw/zinc/17/75/35/520177535.db2.gz LBAUHVRFKODXRF-NXEZZACHSA-N 1 0 269.316 2.437 10 0 CEAERO CC[NH2+][C@H](C)c1ccccc1Sc1n[nH]c(=O)n1CC ZINC000061595870 520181514 /nfs/dbraw/zinc/18/15/14/520181514.db2.gz CZCHMKNUKOULAS-SNVBAGLBSA-N 1 0 292.408 2.413 10 0 CEAERO CC[NH2+][C@H](CCCS(C)(=O)=O)C1CCCCC1 ZINC000063016999 520185577 /nfs/dbraw/zinc/18/55/77/520185577.db2.gz DPTRMNADIJWDTH-CYBMUJFWSA-N 1 0 261.431 2.370 10 0 CEAERO CC[NH2+][C@H](CCOc1ccccc1C(C)(C)C)C(N)=O ZINC000062547519 520192930 /nfs/dbraw/zinc/19/29/30/520192930.db2.gz CYCIUPDGQGTZNS-CYBMUJFWSA-N 1 0 278.396 2.216 10 0 CEAERO CCCNc1ncccc1C[N@H+](CCOC)[C@H](C)COC ZINC000052729030 520193634 /nfs/dbraw/zinc/19/36/34/520193634.db2.gz AVTTUHOPVMPGTH-CQSZACIVSA-N 1 0 295.427 2.387 10 0 CEAERO CC[NH2+][C@H](CO[C@H](C)COC)c1ccc2c(c1)OCCO2 ZINC000070206957 520199407 /nfs/dbraw/zinc/19/94/07/520199407.db2.gz MHELFRCFWSKWCA-TZMCWYRMSA-N 1 0 295.379 2.160 10 0 CEAERO CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1CCS(C)(=O)=O ZINC000054630920 520220199 /nfs/dbraw/zinc/22/01/99/520220199.db2.gz RWZGQIATBUWSJA-IHRRRGAJSA-N 1 0 275.458 2.472 10 0 CEAERO CC[NH2+][C@H]1COc2cc(OCc3nc(C)no3)ccc21 ZINC000062804660 520221296 /nfs/dbraw/zinc/22/12/96/520221296.db2.gz JORUNIKKBMNLFG-LBPRGKRZSA-N 1 0 275.308 2.000 10 0 CEAERO CCN[C@](C[N@H+](CC)CC1CC1)(C(=O)OCC)C1CC1 ZINC000069239535 520246771 /nfs/dbraw/zinc/24/67/71/520246771.db2.gz PPWGRRYNUYXUDA-INIZCTEOSA-N 1 0 282.428 2.040 10 0 CEAERO CC[NH2+][C@](CN1CCC(C)(CC)CC1)(C(=O)[O-])C1CC1 ZINC000069232484 520246891 /nfs/dbraw/zinc/24/68/91/520246891.db2.gz MVNYZTBPWMZBTE-INIZCTEOSA-N 1 0 282.428 2.341 10 0 CEAERO CCNc1ccc(C(=O)N(CC[NH+](C)C)CC(C)C)cn1 ZINC000050774387 520282150 /nfs/dbraw/zinc/28/21/50/520282150.db2.gz NHYOSLHWQYOSGE-UHFFFAOYSA-N 1 0 292.427 2.173 10 0 CEAERO CCNc1ccc(C(=O)NCC[NH+](CC)CC)cc1 ZINC000049136648 520287866 /nfs/dbraw/zinc/28/78/66/520287866.db2.gz LUKVSQAKHKLZLV-UHFFFAOYSA-N 1 0 263.385 2.190 10 0 CEAERO CCN(C1CCCCC1)S(=O)(=O)C[C@H]1CCCC[NH2+]1 ZINC000049630809 520295224 /nfs/dbraw/zinc/29/52/24/520295224.db2.gz AWZSCORYNPCQGW-CYBMUJFWSA-N 1 0 288.457 2.113 10 0 CEAERO CCO[C@@H](C[NH3+])CCSc1nc2cc(OC)ccc2[nH]1 ZINC000062741934 520309121 /nfs/dbraw/zinc/30/91/21/520309121.db2.gz BAWHGGFUTYQZQV-LLVKDONJSA-N 1 0 295.408 2.418 10 0 CEAERO CCO[C@@H]1CCC[N@H+](Cc2cc(F)ccc2C(N)=S)C1 ZINC000069402914 520319244 /nfs/dbraw/zinc/31/92/44/520319244.db2.gz PCAZZFMLBLXWFU-CYBMUJFWSA-N 1 0 296.411 2.461 10 0 CEAERO CCO[C@@H]1CCCN([C@@H]2C[NH2+]Cc3ccccc32)C1 ZINC000069266476 520322790 /nfs/dbraw/zinc/32/27/90/520322790.db2.gz DORBPCVHOQTKAP-GDBMZVCRSA-N 1 0 260.381 2.332 10 0 CEAERO CCCOc1ccc(C[C@@H](C[NH3+])C(=O)OCC)cc1 ZINC000052919404 520377398 /nfs/dbraw/zinc/37/73/98/520377398.db2.gz PLNQWTOXSGTHLI-ZDUSSCGKSA-N 1 0 265.353 2.156 10 0 CEAERO CCNc1ncccc1CN1CCC[C@H]1C[NH+](C)C ZINC000061653232 520378400 /nfs/dbraw/zinc/37/84/00/520378400.db2.gz NHLVBIVOOGHXEV-AWEZNQCLSA-N 1 0 262.401 2.039 10 0 CEAERO CCCOc1ccc([C@@H]([NH3+])Cn2ccc(=O)cc2)cc1 ZINC000061627919 520416561 /nfs/dbraw/zinc/41/65/61/520416561.db2.gz GZHFMWHRTKTQGW-INIZCTEOSA-N 1 0 272.348 2.337 10 0 CEAERO CCCOc1cccc([C@H]([NH3+])CC(=O)OCC)c1 ZINC000052920817 520470077 /nfs/dbraw/zinc/47/00/77/520470077.db2.gz BQNJFJQYODRPQB-CYBMUJFWSA-N 1 0 251.326 2.428 10 0 CEAERO CCCC[N@H+](CC)CC[C@H](NCCC)C(=O)OC ZINC000062438347 520476145 /nfs/dbraw/zinc/47/61/45/520476145.db2.gz MVJZILCVDDHJBK-ZDUSSCGKSA-N 1 0 258.406 2.040 10 0 CEAERO CC1(C)CN([C@@H](CC(N)=[NH2+])c2ccccc2)CCO1 ZINC000055022937 520492472 /nfs/dbraw/zinc/49/24/72/520492472.db2.gz GTNKUMLDQOXUPF-ZDUSSCGKSA-N 1 0 261.369 2.165 10 0 CEAERO CCCC[NH+](CCCC)C[C@](N)(C(=O)OC)C1CC1 ZINC000069096499 520495956 /nfs/dbraw/zinc/49/59/56/520495956.db2.gz LFTJPBPFKSZIOV-OAHLLOKOSA-N 1 0 270.417 2.169 10 0 CEAERO CCN(CC)C(=O)[C@H](C[NH3+])Cc1cccc2cccnc21 ZINC000069500527 520536101 /nfs/dbraw/zinc/53/61/01/520536101.db2.gz HOWUZOAUHPXGDE-HNNXBMFYSA-N 1 0 285.391 2.221 10 0 CEAERO CCN(CC)C(=O)c1cc(NCC(C)(C)[NH+](C)C)ccn1 ZINC000048106616 520544199 /nfs/dbraw/zinc/54/41/99/520544199.db2.gz VTJOWXDKZXLIIE-UHFFFAOYSA-N 1 0 292.427 2.316 10 0 CEAERO CCC[C@@H](CCCS(C)(=O)=O)C[NH2+]CC(C)C ZINC000063018174 520696536 /nfs/dbraw/zinc/69/65/36/520696536.db2.gz MWMOJQOPKHOOKZ-ZDUSSCGKSA-N 1 0 263.447 2.473 10 0 CEAERO CC[NH+](CC)[C@H](Cn1c(=O)[nH][nH]c1=S)c1ccccc1 ZINC000061591595 520869162 /nfs/dbraw/zinc/86/91/62/520869162.db2.gz SBLCWVBJJCHTJE-GFCCVEGCSA-N 1 0 292.408 2.317 10 0 CEAERO Fc1cccc(OCCN2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000172800696 534523374 /nfs/dbraw/zinc/52/33/74/534523374.db2.gz UGKGYLJKCIIHMG-OAHLLOKOSA-N 1 0 278.371 2.375 10 0 CEAERO CCN(CC1(C[NH3+])CCOCC1)c1cccc(F)c1 ZINC000052182409 520938855 /nfs/dbraw/zinc/93/88/55/520938855.db2.gz AQAHFYQPQKZORF-UHFFFAOYSA-N 1 0 266.360 2.408 10 0 CEAERO CCC[C@@]1(C(=O)NCc2cccc(OC)c2)CC[NH2+]C1 ZINC000062893882 520943096 /nfs/dbraw/zinc/94/30/96/520943096.db2.gz DPYBJTSJDKRANS-MRXNPFEDSA-N 1 0 276.380 2.091 10 0 CEAERO CCN(CC1CC1)[C@@H]1COc2ccccc2[C@@H]1[NH2+]C ZINC000069238057 520967883 /nfs/dbraw/zinc/96/78/83/520967883.db2.gz GDYUKYGQGHMRCL-ZBFHGGJFSA-N 1 0 260.381 2.440 10 0 CEAERO CC[N@H+](CCCC[C@@](C)(NC)C(=O)OC)CC1CC1 ZINC000069239454 521004542 /nfs/dbraw/zinc/00/45/42/521004542.db2.gz HQWKKPGVAVQVTK-OAHLLOKOSA-N 1 0 270.417 2.040 10 0 CEAERO CCCC[C@@H]([NH3+])C(=O)Nc1ccc(OC)c(C)c1 ZINC000049532038 521074123 /nfs/dbraw/zinc/07/41/23/521074123.db2.gz HJJJXGSLNADROZ-GFCCVEGCSA-N 1 0 250.342 2.460 10 0 CEAERO CCOC(=O)[C@@](C)(CCC[N@H+](CC)CC1CC1)NC ZINC000069239482 521145622 /nfs/dbraw/zinc/14/56/22/521145622.db2.gz COQKMENARGWGON-OAHLLOKOSA-N 1 0 270.417 2.040 10 0 CEAERO CCOC(=O)[C@@](C)([NH3+])C[C@H](C)n1ncc2ccccc21 ZINC000068649721 521157504 /nfs/dbraw/zinc/15/75/04/521157504.db2.gz OWLGXVSWIZRDAP-NHYWBVRUSA-N 1 0 275.352 2.268 10 0 CEAERO CCOC(=O)[C@@](C[NH+]1CCCCC1)(NC(C)C)C1CC1 ZINC000069095533 521166239 /nfs/dbraw/zinc/16/62/39/521166239.db2.gz MWTRCSGUVUMTHH-INIZCTEOSA-N 1 0 282.428 2.182 10 0 CEAERO CCOC(=O)[C@@](C[N@H+](CC)C1CCCC1)(NC)C1CC1 ZINC000069099263 521166550 /nfs/dbraw/zinc/16/65/50/521166550.db2.gz MYLQCICXXQRIKH-INIZCTEOSA-N 1 0 282.428 2.182 10 0 CEAERO CCC[C@H]([NH2+][C@H]1CC(=O)N(CC)C1=O)c1cccs1 ZINC000049543789 521177066 /nfs/dbraw/zinc/17/70/66/521177066.db2.gz WANFIALEPDTPNJ-QWRGUYRKSA-N 1 0 280.393 2.326 10 0 CEAERO 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C[NH2+]Cc1cccc(OCCn2cc(Cl)cn2)c1 ZINC000052577190 522135057 /nfs/dbraw/zinc/13/50/57/522135057.db2.gz ZZZMFJBCEKMUSB-UHFFFAOYSA-N 1 0 265.744 2.335 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(c2cc(F)ccc2N)CC1 ZINC000055066669 522135464 /nfs/dbraw/zinc/13/54/64/522135464.db2.gz KTTWEHQYDXYGEL-LLVKDONJSA-N 1 0 251.349 2.328 10 0 CEAERO C[NH2+]Cc1nc(CN2CCc3ccccc32)cs1 ZINC000052420184 522152029 /nfs/dbraw/zinc/15/20/29/522152029.db2.gz ZZZVNFBMRLUYGJ-UHFFFAOYSA-N 1 0 259.378 2.425 10 0 CEAERO C[NH2+]Cc1nnc(-c2ccccc2C(F)(F)F)o1 ZINC000050615484 522158730 /nfs/dbraw/zinc/15/87/30/522158730.db2.gz UMAPMYNRVUJHOG-UHFFFAOYSA-N 1 0 257.215 2.475 10 0 CEAERO CC[C@H](C[NH2+]C1CC1)[C@H]1CS(=O)(=O)c2ccccc21 ZINC000052973872 522193912 /nfs/dbraw/zinc/19/39/12/522193912.db2.gz QXELNUHONYOZKX-BXUZGUMPSA-N 1 0 279.405 2.336 10 0 CEAERO COC[C@@H](C)C[NH2+][C@@H]1CCOc2ccc(OC)cc21 ZINC000045657837 522205994 /nfs/dbraw/zinc/20/59/94/522205994.db2.gz NWRRKLJWFAOTMW-SMDDNHRTSA-N 1 0 265.353 2.391 10 0 CEAERO CC[C@@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CCOc2ccccc21 ZINC000052928762 522206436 /nfs/dbraw/zinc/20/64/36/522206436.db2.gz VSZDVPUHLUUDCN-MBNYWOFBSA-N 1 0 276.380 2.403 10 0 CEAERO CC[C@@H](C)NC(=O)[C@H](C)Oc1cccc2c1CC[C@@H]2[NH3+] ZINC000062798696 522209770 /nfs/dbraw/zinc/20/97/70/522209770.db2.gz QUMHJRMZTHTRRH-SUNKGSAMSA-N 1 0 276.380 2.315 10 0 CEAERO CN(C)c1ccc([C@@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000054686153 522243658 /nfs/dbraw/zinc/24/36/58/522243658.db2.gz UMFYRMFMVXVBJI-DLBZAZTESA-N 1 0 270.376 2.356 10 0 CEAERO COc1cc(C)ccc1C(=O)CN1CCC[C@H]1C[NH+](C)C ZINC000061645799 522255665 /nfs/dbraw/zinc/25/56/65/522255665.db2.gz UHXOJBZCIODBTG-AWEZNQCLSA-N 1 0 290.407 2.212 10 0 CEAERO COC[C@@H](C)Oc1cc(C[NH2+]CC(C)C)ccn1 ZINC000070208883 522262083 /nfs/dbraw/zinc/26/20/83/522262083.db2.gz DWBIYJNMSGPGLK-GFCCVEGCSA-N 1 0 252.358 2.241 10 0 CEAERO C[NH2+][C@@H](C)C[C@H](C)N1CCN(c2ccccc2OC)CC1 ZINC000068654167 522325150 /nfs/dbraw/zinc/32/51/50/522325150.db2.gz MBASLHSHLOVGPM-GJZGRUSLSA-N 1 0 291.439 2.204 10 0 CEAERO CC[C@H]([NH3+])Cc1cc(C)c(O[C@@H](CC)C(N)=O)c(C)c1 ZINC000061678339 522333751 /nfs/dbraw/zinc/33/37/51/522333751.db2.gz YAQHXWZNENLPLI-KBPBESRZSA-N 1 0 278.396 2.226 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(OC)c(Cn2ccc(=O)cc2)c1 ZINC000061627821 522334834 /nfs/dbraw/zinc/33/48/34/522334834.db2.gz RXXGBXMXDCOUMP-LBPRGKRZSA-N 1 0 272.348 2.186 10 0 CEAERO CC[C@H]([NH3+])Cc1ccnc(Cc2ccc(OC)cc2)n1 ZINC000054834578 522334741 /nfs/dbraw/zinc/33/47/41/522334741.db2.gz JKXJGCRMHCDZAY-ZDUSSCGKSA-N 1 0 271.364 2.356 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(OC[C@@H](O)C(F)(F)F)c(OC)c1 ZINC000068876401 522335590 /nfs/dbraw/zinc/33/55/90/522335590.db2.gz XBIUCCMHORISNV-QPUJVOFHSA-N 1 0 293.285 2.278 10 0 CEAERO CC[C@H]([NH3+])c1cnn(Cc2ncc(C)c(OC)c2C)c1 ZINC000054717189 522349681 /nfs/dbraw/zinc/34/96/81/522349681.db2.gz YKRCODTXNLARJF-ZDUSSCGKSA-N 1 0 274.368 2.362 10 0 CEAERO C[NH2+][C@@H](CCOc1ccccc1)Cc1cnn(C)c1 ZINC000050542263 522349784 /nfs/dbraw/zinc/34/97/84/522349784.db2.gz MOJFGPUORJUDBQ-AWEZNQCLSA-N 1 0 259.353 2.020 10 0 CEAERO CC[C@H](NC(=O)C(C)(C)[NH2+]C)c1ccc(OC)cc1 ZINC000061316162 522360761 /nfs/dbraw/zinc/36/07/61/522360761.db2.gz REBLVAKMMKZRMT-ZDUSSCGKSA-N 1 0 264.369 2.261 10 0 CEAERO C[NH2+][C@@H](Cn1ccc(=O)cc1)c1ccc(C)c(C)c1 ZINC000061627809 522365207 /nfs/dbraw/zinc/36/52/07/522365207.db2.gz UOFPPQJTKDWMSB-INIZCTEOSA-N 1 0 256.349 2.426 10 0 CEAERO C[NH2+][C@@H](c1ccc(OC)cc1OC)C1CCOCC1 ZINC000061671658 522369429 /nfs/dbraw/zinc/36/94/29/522369429.db2.gz MYAKGBBHQMLPLL-OAHLLOKOSA-N 1 0 265.353 2.391 10 0 CEAERO C[NH2+][C@@H](c1cncnc1)c1cc(F)c(F)c(F)c1 ZINC000052887376 522375154 /nfs/dbraw/zinc/37/51/54/522375154.db2.gz RMJUUFZKAJCYOB-GFCCVEGCSA-N 1 0 253.227 2.203 10 0 CEAERO C[NH2+][C@@H]1CCC2(C[C@@H]1n1ncc3ccccc31)OCCO2 ZINC000050524836 522378386 /nfs/dbraw/zinc/37/83/86/522378386.db2.gz DTBABHYCSPCWQA-HIFRSBDPSA-N 1 0 287.363 2.092 10 0 CEAERO COC(=O)c1sccc1NC(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050950373 522444810 /nfs/dbraw/zinc/44/48/10/522444810.db2.gz KEKLTOANLMMEED-SNVBAGLBSA-N 1 0 296.392 2.396 10 0 CEAERO C[NH2+][C@H](C)c1cccc(NC(=O)NC[C@H](C)COC)c1 ZINC000045654104 522452239 /nfs/dbraw/zinc/45/22/39/522452239.db2.gz WQNPVDKXTOOJAD-NWDGAFQWSA-N 1 0 279.384 2.371 10 0 CEAERO C[NH2+][C@H](CN1CCN(C)C1=O)C12CC3CC(CC(C3)C1)C2 ZINC000052885702 522465529 /nfs/dbraw/zinc/46/55/29/522465529.db2.gz GTTFLFOGYQAUDU-UZZMVUAXSA-N 1 0 291.439 2.158 10 0 CEAERO C[NH2+][C@H](c1ccc2c(c1)OCCO2)[C@H]1CCCCO1 ZINC000050961471 522482042 /nfs/dbraw/zinc/48/20/42/522482042.db2.gz RDQNCAYSNCJDCP-UKRRQHHQSA-N 1 0 263.337 2.287 10 0 CEAERO C[NH2+][C@H](c1cncnc1)c1cc(F)c(F)c(F)c1 ZINC000052887375 522485221 /nfs/dbraw/zinc/48/52/21/522485221.db2.gz RMJUUFZKAJCYOB-LBPRGKRZSA-N 1 0 253.227 2.203 10 0 CEAERO C[NH2+][C@H](c1cnn(C)c1)C1(c2ccccc2)CCOCC1 ZINC000062783736 522486889 /nfs/dbraw/zinc/48/68/89/522486889.db2.gz JKNRMTQDOULTRI-MRXNPFEDSA-N 1 0 285.391 2.429 10 0 CEAERO CCc1nc2ccccc2n1Cc1cc[nH+]c(NN)c1 ZINC000062808104 522503690 /nfs/dbraw/zinc/50/36/90/522503690.db2.gz ABDVCFNDWIBQBT-UHFFFAOYSA-N 1 0 267.336 2.328 10 0 CEAERO CC[C@H](NC(=O)[C@@](C)([NH3+])C1CC1)c1cccs1 ZINC000049532200 522504647 /nfs/dbraw/zinc/50/46/47/522504647.db2.gz IKNNULBUPGYKGB-GWCFXTLKSA-N 1 0 252.383 2.443 10 0 CEAERO COc1cc(Cl)c(C)cc1-n1nnnc1C[NH2+]C(C)C ZINC000054745011 522507342 /nfs/dbraw/zinc/50/73/42/522507342.db2.gz URWKNWSZGIIWBC-UHFFFAOYSA-N 1 0 295.774 2.131 10 0 CEAERO C[NH2+][C@](C)(CCCSCc1ccccc1C)C(N)=O ZINC000054964817 522515755 /nfs/dbraw/zinc/51/57/55/522515755.db2.gz OKFMCWUPFLKVRJ-OAHLLOKOSA-N 1 0 280.437 2.472 10 0 CEAERO CC[C@H]([NH2+]C)c1ccccc1OCCC(=O)NC1CC1 ZINC000054049238 522555791 /nfs/dbraw/zinc/55/57/91/522555791.db2.gz GKQBVBBTEAGFOL-AWEZNQCLSA-N 1 0 276.380 2.405 10 0 CEAERO COc1cc(F)c([C@@H]([NH3+])[C@H]2CCCO2)cc1OC ZINC000061560752 522585317 /nfs/dbraw/zinc/58/53/17/522585317.db2.gz UTAAMRAMEIENKA-ZWNOBZJWSA-N 1 0 255.289 2.022 10 0 CEAERO COc1cc(F)ccc1NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000049569914 522610470 /nfs/dbraw/zinc/61/04/70/522610470.db2.gz BAUGQVITPFYCFQ-CQSZACIVSA-N 1 0 274.295 2.473 10 0 CEAERO CNc1ccc(Cl)cc1C(=O)NCC1CC[NH+](C)CC1 ZINC000050787976 522627264 /nfs/dbraw/zinc/62/72/64/522627264.db2.gz OBWBSFHAIJWCAC-UHFFFAOYSA-N 1 0 295.814 2.453 10 0 CEAERO CC[C@@H]([NH3+])Cc1cnn(CCOCCC(C)C)c1 ZINC000054741636 522645370 /nfs/dbraw/zinc/64/53/70/522645370.db2.gz WCBGEIMCUYQWMD-CQSZACIVSA-N 1 0 253.390 2.226 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C)c1ccc(C)s1 ZINC000061592512 522650850 /nfs/dbraw/zinc/65/08/50/522650850.db2.gz FQEDUEXJGHTLRI-SCZZXKLOSA-N 1 0 298.437 2.049 10 0 CEAERO CC[C@@H]([NH3+])[C@@](O)(c1cc(C)ccc1OC)C(F)(F)F ZINC000062784630 522651067 /nfs/dbraw/zinc/65/10/67/522651067.db2.gz OXQWFLPZWXPQFA-NEPJUHHUSA-N 1 0 277.286 2.491 10 0 CEAERO C[N@H+](CC1CCOCC1)[C@H]1CNCc2ccccc21 ZINC000069267698 522665353 /nfs/dbraw/zinc/66/53/53/522665353.db2.gz WWQUXPSMNRQLLG-INIZCTEOSA-N 1 0 260.381 2.189 10 0 CEAERO CC[C@H](NS(=O)(=O)C[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000052344065 522676103 /nfs/dbraw/zinc/67/61/03/522676103.db2.gz CXLGQTWRUBEHEK-KGLIPLIRSA-N 1 0 288.457 2.017 10 0 CEAERO Clc1cnccc1C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000174854581 534657047 /nfs/dbraw/zinc/65/70/47/534657047.db2.gz IPQUBEUVHQKOPE-GFCCVEGCSA-N 1 0 291.786 2.239 10 0 CEAERO CCc1nnc(COc2cccc3c2CC[C@@H]3[NH2+]C)o1 ZINC000062799054 522751160 /nfs/dbraw/zinc/75/11/60/522751160.db2.gz PZNBTSQISVLLCX-LBPRGKRZSA-N 1 0 273.336 2.418 10 0 CEAERO COC(=O)C1(N2CCC[NH2+]CC2)CCC(C(C)C)CC1 ZINC000054557437 522837274 /nfs/dbraw/zinc/83/72/74/522837274.db2.gz MDGMFNCKMIUFLY-UHFFFAOYSA-N 1 0 282.428 2.040 10 0 CEAERO CN(CC[NH2+]C1CCCCC1)C[C@@H]1CCCCO1 ZINC000053342256 522863914 /nfs/dbraw/zinc/86/39/14/522863914.db2.gz LUSQFMISNRTOHI-HNNXBMFYSA-N 1 0 254.418 2.410 10 0 CEAERO COc1cc(OC)cc(N2[C@@H]3CC[C@H]2CC([NH3+])C3)c1 ZINC000054627434 522868244 /nfs/dbraw/zinc/86/82/44/522868244.db2.gz UGQYSYSHNJUOOA-YOGCLGLASA-N 1 0 262.353 2.162 10 0 CEAERO CC[C@@H](NS(=O)(=O)c1cccc2c1CC[NH2+]C2)C(C)C ZINC000049147167 522905135 /nfs/dbraw/zinc/90/51/35/522905135.db2.gz XFCMDODYPLFBIM-CQSZACIVSA-N 1 0 296.436 2.045 10 0 CEAERO CC[C@@H]([NH2+][C@@H](C)C(=O)N1CCOCC1)C1CCCCC1 ZINC000052339507 522906562 /nfs/dbraw/zinc/90/65/62/522906562.db2.gz BKYAYBCZXZHCIB-DZGCQCFKSA-N 1 0 282.428 2.182 10 0 CEAERO CN(CCOc1ccccc1)C(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050945882 522912498 /nfs/dbraw/zinc/91/24/98/522912498.db2.gz BEWWHBMRWKHHCN-OAHLLOKOSA-N 1 0 290.407 2.446 10 0 CEAERO CC[C@@H]([NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1)C(C)C ZINC000049127612 522938744 /nfs/dbraw/zinc/93/87/44/522938744.db2.gz CXACZAGLYYWZJW-BXUZGUMPSA-N 1 0 284.425 2.419 10 0 CEAERO COc1cc2c(cc1OC)CN([C@H](C)C[NH2+]C1CC1)CC2 ZINC000052417230 523031731 /nfs/dbraw/zinc/03/17/31/523031731.db2.gz BLZUJGDMRTXZKA-GFCCVEGCSA-N 1 0 290.407 2.202 10 0 CEAERO CC[C@H]1CCCN(C(=O)C2CCC(C[NH3+])CC2)C1 ZINC000055147524 523070640 /nfs/dbraw/zinc/07/06/40/523070640.db2.gz CPLCXNPMYIOLMN-HSBZDZAISA-N 1 0 252.402 2.400 10 0 CEAERO COC(=O)CCOc1c(Cl)cc(Cl)cc1CC[NH3+] ZINC000069318617 523104096 /nfs/dbraw/zinc/10/40/96/523104096.db2.gz YWTHYVJIJFFDQI-UHFFFAOYSA-N 1 0 292.162 2.437 10 0 CEAERO COC(=O)CCOc1ccc(C)cc1C[NH2+]C1CC1 ZINC000069317742 523105069 /nfs/dbraw/zinc/10/50/69/523105069.db2.gz IAUBNUGQZOVFDU-UHFFFAOYSA-N 1 0 263.337 2.189 10 0 CEAERO COC(=O)CC[C@@H]([NH3+])Cc1cccc(Br)c1 ZINC000061893077 523112541 /nfs/dbraw/zinc/11/25/41/523112541.db2.gz QOJZAIVZFIWGPJ-LLVKDONJSA-N 1 0 286.169 2.272 10 0 CEAERO COCCCN(C)[C@H](C[NH3+])c1cc2ccccc2o1 ZINC000068811975 523232626 /nfs/dbraw/zinc/23/26/26/523232626.db2.gz BMPXWVDGEHRMHM-CYBMUJFWSA-N 1 0 262.353 2.401 10 0 CEAERO COc1ccc(-c2nnc(CC[NH2+]C(C)C)o2)cc1OC ZINC000050620136 523251394 /nfs/dbraw/zinc/25/13/94/523251394.db2.gz AMUZHPLSINTOMW-UHFFFAOYSA-N 1 0 291.351 2.294 10 0 CEAERO CN(Cc1ccc(O)cc1)C(=O)[C@](C)([NH3+])c1ccccc1 ZINC000052882297 523267214 /nfs/dbraw/zinc/26/72/14/523267214.db2.gz OBMOYOPSVNXODQ-QGZVFWFLSA-N 1 0 284.359 2.225 10 0 CEAERO CC[C@H]1CN(c2ncc([C@@H](C)[NH2+]C)s2)CCO1 ZINC000054903639 523308032 /nfs/dbraw/zinc/30/80/32/523308032.db2.gz YHGXEERTJFTRCT-ZJUUUORDSA-N 1 0 255.387 2.039 10 0 CEAERO COC(=O)C[C@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000062052662 523328407 /nfs/dbraw/zinc/32/84/07/523328407.db2.gz CALRQEWUUSHBNH-MNOVXSKESA-N 1 0 253.317 2.298 10 0 CEAERO CC[C@H]1COCCN1c1nc(C)c([C@@H](C)[NH3+])s1 ZINC000054895997 523338626 /nfs/dbraw/zinc/33/86/26/523338626.db2.gz VECFNQHYUJTWOC-SCZZXKLOSA-N 1 0 255.387 2.086 10 0 CEAERO CC(C)(C)NC(=O)C[C@H](C[NH3+])N1CCCc2ccccc21 ZINC000091320746 534702193 /nfs/dbraw/zinc/70/21/93/534702193.db2.gz DZQPGCKHFDQPMJ-CQSZACIVSA-N 1 0 289.423 2.071 10 0 CEAERO COc1ccc(-n2nnnc2C[NH2+]CC(C)C)cc1Cl ZINC000054744785 523354440 /nfs/dbraw/zinc/35/44/40/523354440.db2.gz ZHDBEEIIMVIOKQ-UHFFFAOYSA-N 1 0 295.774 2.070 10 0 CEAERO COCCC[NH2+]C[C@H](C)Oc1cccc(F)c1F ZINC000062654957 523372602 /nfs/dbraw/zinc/37/26/02/523372602.db2.gz FRUSYDGVQFCYDB-JTQLQIEISA-N 1 0 259.296 2.358 10 0 CEAERO CC[C@@H]1CN([C@@H]2C[C@H](C(C)C)CC[C@@H]2[NH3+])CCO1 ZINC000054555014 523467984 /nfs/dbraw/zinc/46/79/84/523467984.db2.gz LEYJNUJNSCWVKT-APIJFGDWSA-N 1 0 254.418 2.249 10 0 CEAERO CC[C@@H]1CN(c2ncc([C@@H](C)[NH2+]C)s2)CCO1 ZINC000054903637 523473268 /nfs/dbraw/zinc/47/32/68/523473268.db2.gz YHGXEERTJFTRCT-NXEZZACHSA-N 1 0 255.387 2.039 10 0 CEAERO CC[C@@H]1COCCN1c1nc(C)c(C[NH2+]C2CC2)s1 ZINC000054997912 523502274 /nfs/dbraw/zinc/50/22/74/523502274.db2.gz YJRWJFYEONNXCK-GFCCVEGCSA-N 1 0 281.425 2.319 10 0 CEAERO CN(Cc1cscn1)CC1(C[NH3+])CCCCC1 ZINC000051250453 523537946 /nfs/dbraw/zinc/53/79/46/523537946.db2.gz GZVLBXKSHMUBQX-UHFFFAOYSA-N 1 0 253.415 2.484 10 0 CEAERO COCCN(C)CC[NH2+][C@H](c1cccs1)C1CC1 ZINC000061377969 523612017 /nfs/dbraw/zinc/61/20/17/523612017.db2.gz HWTHVONHZDXRDM-AWEZNQCLSA-N 1 0 268.426 2.367 10 0 CEAERO CO[C@@H]1CCC[C@@H](OC(=O)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000070323084 523616540 /nfs/dbraw/zinc/61/65/40/523616540.db2.gz ZCJNWCJQEDNYJE-BFHYXJOUSA-N 1 0 269.385 2.267 10 0 CEAERO CN1CCC([N@H+](C)[C@H](CC(N)=S)c2ccccc2)CC1 ZINC000055024495 523627168 /nfs/dbraw/zinc/62/71/68/523627168.db2.gz LYSHZDZBVCYFRR-OAHLLOKOSA-N 1 0 291.464 2.430 10 0 CEAERO CC[C@@](C)(C[NH2+]CC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000054661704 523639218 /nfs/dbraw/zinc/63/92/18/523639218.db2.gz SQHHSOULBLUEFC-OLZOCXBDSA-N 1 0 261.431 2.083 10 0 CEAERO CC[C@@](C)(C[NH2+]C)[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000054660265 523639851 /nfs/dbraw/zinc/63/98/51/523639851.db2.gz ZIFIWNYLJUOHOT-OCCSQVGLSA-N 1 0 267.394 2.193 10 0 CEAERO CC[C@@](C)([NH3+])c1noc([C@@H](OC)c2ccccc2)n1 ZINC000050438363 523645809 /nfs/dbraw/zinc/64/58/09/523645809.db2.gz DAMZCSJQVRLMIY-SMDDNHRTSA-N 1 0 261.325 2.389 10 0 CEAERO COc1ccc(C(=O)N2C[C@@H]3C[C@@H]([NH3+])CC[C@@H]3C2)cc1F ZINC000061669273 523669829 /nfs/dbraw/zinc/66/98/29/523669829.db2.gz YMJANMLNSCPTRF-AGIUHOORSA-N 1 0 292.354 2.034 10 0 CEAERO CCc1c(C)nn(CC[NH2+]CCCOC(C)C)c1C ZINC000053541057 523714158 /nfs/dbraw/zinc/71/41/58/523714158.db2.gz XETHKGKNULSDMS-UHFFFAOYSA-N 1 0 267.417 2.467 10 0 CEAERO CCc1c(C)nn([C@@H](C)C[C@](C)([NH2+]C2CC2)C(N)=O)c1C ZINC000068649181 523716685 /nfs/dbraw/zinc/71/66/85/523716685.db2.gz GCQDTQMYXRISHM-QFYYESIMSA-N 1 0 292.427 2.009 10 0 CEAERO C[N@@H+]1CCC[C@H](CNCc2nnc(-c3ccccc3)o2)C1 ZINC000050601935 523841000 /nfs/dbraw/zinc/84/10/00/523841000.db2.gz ZYEDCMCZRIYAFA-CYBMUJFWSA-N 1 0 286.379 2.168 10 0 CEAERO CN1CCN(C[C@H]([NH3+])c2ccc(C(C)(C)C)cc2)C1=O ZINC000052885758 523907802 /nfs/dbraw/zinc/90/78/02/523907802.db2.gz VPGKONAYGIPYOA-AWEZNQCLSA-N 1 0 275.396 2.351 10 0 CEAERO COCC[NH2+]CCCCOc1ccc(F)c(F)c1 ZINC000053586807 523935712 /nfs/dbraw/zinc/93/57/12/523935712.db2.gz OGIUKFSPUAZZRW-UHFFFAOYSA-N 1 0 259.296 2.360 10 0 CEAERO COCC[NH2+]C[C@H]1C[C@@H]1c1ccc2c(c1)CCCN2C ZINC000054598830 523944520 /nfs/dbraw/zinc/94/45/20/523944520.db2.gz JKRSMGIYUUVJLO-HZPDHXFCSA-N 1 0 274.408 2.409 10 0 CEAERO COCC[NH2+]C[C@H]1C[C@]1(C)c1ccc(F)cc1F ZINC000054599033 523944878 /nfs/dbraw/zinc/94/48/78/523944878.db2.gz RALZGLFOHNRZMA-YGRLFVJLSA-N 1 0 255.308 2.478 10 0 CEAERO COCC[NH2+]C[C@H]1C[C@H]1c1cc(OC)ccc1OC ZINC000054598660 523944893 /nfs/dbraw/zinc/94/48/93/523944893.db2.gz LSCNFDJRHKJRCK-DGCLKSJQSA-N 1 0 265.353 2.043 10 0 CEAERO COCC[NH2+]Cc1c(C)nc(-c2ncccc2C)nc1C ZINC000054854603 523945804 /nfs/dbraw/zinc/94/58/04/523945804.db2.gz KVJFQXOLLXDHMY-UHFFFAOYSA-N 1 0 286.379 2.200 10 0 CEAERO CC[C@H](C)N1C(=O)C[C@@H]([NH2+]C2CCC(CC)CC2)C1=O ZINC000049118573 523946831 /nfs/dbraw/zinc/94/68/31/523946831.db2.gz XFIPBEVIXNROAZ-GFJIZPEISA-N 1 0 280.412 2.471 10 0 CEAERO COCC[NH2+]Cc1c(Cl)cccc1N1CCC[C@H](O)C1 ZINC000062737132 523946892 /nfs/dbraw/zinc/94/68/92/523946892.db2.gz IFVWAUVJOGYNTQ-LBPRGKRZSA-N 1 0 298.814 2.037 10 0 CEAERO COCC[NH2+]Cc1c(Cl)cccc1N1CCC[C@@H](O)C1 ZINC000062737133 523947092 /nfs/dbraw/zinc/94/70/92/523947092.db2.gz IFVWAUVJOGYNTQ-GFCCVEGCSA-N 1 0 298.814 2.037 10 0 CEAERO COCC[NH2+]Cc1c(N(C)CC(C)C)nc2ccccn21 ZINC000062735346 523947609 /nfs/dbraw/zinc/94/76/09/523947609.db2.gz WTWQGXSKTRBJNR-UHFFFAOYSA-N 1 0 290.411 2.163 10 0 CEAERO COCC[NH2+]Cc1c(C)nn(C)c1N(C)[C@H](C)CC(C)C ZINC000062737748 523947701 /nfs/dbraw/zinc/94/77/01/523947701.db2.gz FWNAORJAIROIQY-CYBMUJFWSA-N 1 0 296.459 2.335 10 0 CEAERO COCC[NH2+]Cc1cc(F)ccc1N(C)C[C@@H]1CCCO1 ZINC000062737044 523950234 /nfs/dbraw/zinc/95/02/34/523950234.db2.gz UXSNTNDUZOVWCW-HNNXBMFYSA-N 1 0 296.386 2.177 10 0 CEAERO CO[C@H](c1nc([C@@H]([NH3+])C(C)C)no1)c1ccccc1 ZINC000050438336 523959068 /nfs/dbraw/zinc/95/90/68/523959068.db2.gz MYHQUZASYIKASI-RYUDHWBXSA-N 1 0 261.325 2.461 10 0 CEAERO C[N@@H+]1CC[C@@H](Nc2cc(Cl)ccc2C(N)=S)C1 ZINC000062788229 523968155 /nfs/dbraw/zinc/96/81/55/523968155.db2.gz ZFFDGZVYQLVZFE-SECBINFHSA-N 1 0 269.801 2.090 10 0 CEAERO CO[C@H]1CCC[C@@H](OC(=O)C2CCC([NH3+])CC2)C1 ZINC000070323401 523976749 /nfs/dbraw/zinc/97/67/49/523976749.db2.gz BHPCFIBNWRELEP-IFWUJCSASA-N 1 0 255.358 2.005 10 0 CEAERO CN(C)C(=O)CN(C)c1ccc(F)cc1C[NH2+]C(C)(C)C ZINC000062735673 523985422 /nfs/dbraw/zinc/98/54/22/523985422.db2.gz MOXGRUIAQLFYPE-UHFFFAOYSA-N 1 0 295.402 2.238 10 0 CEAERO COC(=O)[C@](C[N@@H+]1CCCCC[C@@H]1C)(NC1CC1)C1CC1 ZINC000069549518 524004866 /nfs/dbraw/zinc/00/48/66/524004866.db2.gz XBLSNODDFPHEGO-SUMWQHHRSA-N 1 0 294.439 2.325 10 0 CEAERO CN1c2ccc([C@@H]([NH3+])c3ccco3)cc2CCC1=O ZINC000062806380 524033064 /nfs/dbraw/zinc/03/30/64/524033064.db2.gz NXBCIYRCWHRCFY-OAHLLOKOSA-N 1 0 256.305 2.237 10 0 CEAERO CNC(=O)CN(C)c1cccc(Cl)c1C[NH2+]CC(C)C ZINC000062735656 524071836 /nfs/dbraw/zinc/07/18/36/524071836.db2.gz IRWKJNJCEYSWDU-UHFFFAOYSA-N 1 0 297.830 2.268 10 0 CEAERO CNC(=O)COc1ccc(Cl)cc1C[NH2+]CC(C)C ZINC000062730893 524074916 /nfs/dbraw/zinc/07/49/16/524074916.db2.gz SWQQRUMSHCRNEM-UHFFFAOYSA-N 1 0 284.787 2.210 10 0 CEAERO C[C@H](CC1CC1)NS(=O)(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000070105159 524097349 /nfs/dbraw/zinc/09/73/49/524097349.db2.gz XOKGGJVQCNPINQ-MNOVXSKESA-N 1 0 282.409 2.173 10 0 CEAERO COc1cccc([C@@H](O)[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000054686319 524104549 /nfs/dbraw/zinc/10/45/49/524104549.db2.gz JYSMCEJTALKJPS-JKSUJKDBSA-N 1 0 257.333 2.299 10 0 CEAERO COc1cccc([C@@H](O)[C@H]([NH3+])Cc2ccccc2)c1OC ZINC000054685520 524105467 /nfs/dbraw/zinc/10/54/67/524105467.db2.gz VWVNSUQFBFEPKK-GDBMZVCRSA-N 1 0 287.359 2.307 10 0 CEAERO C[C@H]1CCC[NH2+][C@H]1C(=O)NCCC1CCCCC1 ZINC000051793142 524125342 /nfs/dbraw/zinc/12/53/42/524125342.db2.gz MPNPYQRKTXLNSH-GXTWGEPZSA-N 1 0 252.402 2.461 10 0 CEAERO C[C@@H]1CCCC[C@@H]1N(C)CC[NH2+]C1CCOCC1 ZINC000062767840 524130767 /nfs/dbraw/zinc/13/07/67/524130767.db2.gz MKSCFAUPRQBCLE-HIFRSBDPSA-N 1 0 254.418 2.266 10 0 CEAERO C[C@H]1CCC[C@@H](C[NH3+])N1C(=O)CCc1ccccc1 ZINC000070151792 524133138 /nfs/dbraw/zinc/13/31/38/524133138.db2.gz VEWNKPBEQGWWRV-ZFWWWQNUSA-N 1 0 260.381 2.348 10 0 CEAERO C[C@H]1CCC[C@@H](C[NH3+])N1c1ccc(C(N)=O)c(Cl)c1 ZINC000070157175 524135831 /nfs/dbraw/zinc/13/58/31/524135831.db2.gz ACFIWBVGXUIDRK-ONGXEEELSA-N 1 0 281.787 2.145 10 0 CEAERO COc1ccc(C[C@H](C)[NH3+])cc1OC1CCOCC1 ZINC000069310677 524152430 /nfs/dbraw/zinc/15/24/30/524152430.db2.gz JFWMYEFDNSCEFK-NSHDSACASA-N 1 0 265.353 2.143 10 0 CEAERO COc1ccc(C[C@H]([NH3+])[C@@H]2CCCOC2)cc1OC ZINC000062236898 524156375 /nfs/dbraw/zinc/15/63/75/524156375.db2.gz VKHOTJKQJAZBQE-OLZOCXBDSA-N 1 0 265.353 2.000 10 0 CEAERO C[C@H](CC[NH+](C)C)NCC(=O)Nc1cccc(Cl)c1 ZINC000049557736 524162001 /nfs/dbraw/zinc/16/20/01/524162001.db2.gz JIVVCNWBRNMVEM-LLVKDONJSA-N 1 0 283.803 2.208 10 0 CEAERO COc1ccc(Cl)c(-n2nnnc2C[NH2+]CC(C)C)c1 ZINC000054748281 524174178 /nfs/dbraw/zinc/17/41/78/524174178.db2.gz UAODPOPSXBLJGT-UHFFFAOYSA-N 1 0 295.774 2.070 10 0 CEAERO C[C@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CCC[C@@H]1CCCO ZINC000052762439 524183599 /nfs/dbraw/zinc/18/35/99/524183599.db2.gz WFQSEOWDCFKFLY-SOUVJXGZSA-N 1 0 282.428 2.013 10 0 CEAERO COc1ccc(Cl)cc1Cn1ccnc1C[C@@H](C)[NH3+] ZINC000062802872 524212806 /nfs/dbraw/zinc/21/28/06/524212806.db2.gz VETVZJOYWUSNTM-SNVBAGLBSA-N 1 0 279.771 2.483 10 0 CEAERO Cc1cc(C)c(C)c(OCC[C@@H]([NH2+]C(C)C)C(N)=O)c1 ZINC000062551347 524249983 /nfs/dbraw/zinc/24/99/83/524249983.db2.gz BHNJRNXAJTURRK-CQSZACIVSA-N 1 0 278.396 2.233 10 0 CEAERO C[C@@H](C(=O)Nc1cccc2cnccc21)C1C[NH2+]C1 ZINC000163956619 524275387 /nfs/dbraw/zinc/27/53/87/524275387.db2.gz DSIJPSLRMBUOCF-SNVBAGLBSA-N 1 0 255.321 2.029 10 0 CEAERO Cc1cccc(C)c1NS(=O)(=O)C[C@@H]1CCCC[NH2+]1 ZINC000049630880 524304425 /nfs/dbraw/zinc/30/44/25/524304425.db2.gz PMDJXHHTNPCKEY-ZDUSSCGKSA-N 1 0 282.409 2.187 10 0 CEAERO COc1ccccc1-n1ncc(C[NH2+]CC(C)C)n1 ZINC000062606244 524307235 /nfs/dbraw/zinc/30/72/35/524307235.db2.gz YBAOGRCKRVOUCZ-UHFFFAOYSA-N 1 0 260.341 2.022 10 0 CEAERO C[C@H](C[NH+]1CCCC1)Nc1ccc(N)c(OCC2CC2)n1 ZINC000049152328 524318693 /nfs/dbraw/zinc/31/86/93/524318693.db2.gz OYOCXVLIRYXNPF-GFCCVEGCSA-N 1 0 290.411 2.349 10 0 CEAERO C[C@H](CN1CC[NH2+]CC1)Oc1cccc(Cl)c1 ZINC000052860979 524346203 /nfs/dbraw/zinc/34/62/03/524346203.db2.gz QGGIWHLBUXFTSR-LLVKDONJSA-N 1 0 254.761 2.013 10 0 CEAERO C[C@H]1CC[C@@H](C[NH3+])CN1S(=O)(=O)/C=C/c1ccccc1 ZINC000070181314 524350793 /nfs/dbraw/zinc/35/07/93/524350793.db2.gz SFWBLXBVIXLYJY-IXLVIVEVSA-N 1 0 294.420 2.046 10 0 CEAERO Cc1cc(C)cc(-n2nnnc2C[NH2+]CC(C)C)c1 ZINC000054744596 524358847 /nfs/dbraw/zinc/35/88/47/524358847.db2.gz ROMSNGUFPHBIAY-UHFFFAOYSA-N 1 0 259.357 2.025 10 0 CEAERO C[C@H](C[NH2+]C[C@@H]1CCCO1)N(C)Cc1cccs1 ZINC000053490807 524484553 /nfs/dbraw/zinc/48/45/53/524484553.db2.gz AEDIFZIRSLGWMX-OLZOCXBDSA-N 1 0 268.426 2.337 10 0 CEAERO C[C@H](CNc1ccc(Cl)cc1C(N)=S)[NH+](C)C ZINC000052859057 524505426 /nfs/dbraw/zinc/50/54/26/524505426.db2.gz HVKILESSGXJXJE-MRVPVSSYSA-N 1 0 271.817 2.336 10 0 CEAERO C[C@H](CNc1nc(Cl)nc(Cl)n1)C[NH+]1CCCC1 ZINC000062076736 524512449 /nfs/dbraw/zinc/51/24/49/524512449.db2.gz ISXMFJIHWFYNJR-MRVPVSSYSA-N 1 0 290.198 2.322 10 0 CEAERO C[C@@H]1CCN(Cc2ccc3c(c2)OCO3)CC[C@@H](C)[NH2+]1 ZINC000061675047 524512466 /nfs/dbraw/zinc/51/24/66/524512466.db2.gz RFCDMEGXNJJEME-CHWSQXEVSA-N 1 0 276.380 2.378 10 0 CEAERO C[C@@H]1CCN(Cc2ccc3c(c2)OCO3)CC[C@H](C)[NH2+]1 ZINC000061675045 524514012 /nfs/dbraw/zinc/51/40/12/524514012.db2.gz RFCDMEGXNJJEME-BETUJISGSA-N 1 0 276.380 2.378 10 0 CEAERO COc1ccccc1C[C@]1(C[NH2+]C2CC2)CCOC1 ZINC000054665415 524514086 /nfs/dbraw/zinc/51/40/86/524514086.db2.gz LPLZATBFGODRBS-INIZCTEOSA-N 1 0 261.365 2.396 10 0 CEAERO Cc1cc(C)n(C[C@H]2CC[C@@H](C[NH2+]CC(C)C)O2)n1 ZINC000052575935 524535781 /nfs/dbraw/zinc/53/57/81/524535781.db2.gz ANMPHLCJFAJFMC-LSDHHAIUSA-N 1 0 265.401 2.293 10 0 CEAERO C[C@@H](C[NH+]1CCCC1)NC(=O)c1cccc2[nH]ccc21 ZINC000049189002 524593313 /nfs/dbraw/zinc/59/33/13/524593313.db2.gz KLONGTSEFHTHMO-LBPRGKRZSA-N 1 0 271.364 2.382 10 0 CEAERO COc1ccccc1NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000049444125 524610629 /nfs/dbraw/zinc/61/06/29/524610629.db2.gz ICSCGSVSPAPMOH-LBPRGKRZSA-N 1 0 275.352 2.007 10 0 CEAERO COc1ccc(NC(=O)[C@H]2CC[C@H](C)[NH2+]C2)c(C)c1 ZINC000061568487 524616210 /nfs/dbraw/zinc/61/62/10/524616210.db2.gz QAALNFQHUPYUGG-RYUDHWBXSA-N 1 0 262.353 2.330 10 0 CEAERO Cc1cc(C[NH3+])cc(C)c1OC[C@@H](O)C(F)(F)F ZINC000068875741 524670284 /nfs/dbraw/zinc/67/02/84/524670284.db2.gz CNBAILBZQVKCLE-SNVBAGLBSA-N 1 0 263.259 2.064 10 0 CEAERO C[C@@H](CN1CCOCC1)n1c(N)[nH+]c2cccc(Cl)c21 ZINC000049510216 524629907 /nfs/dbraw/zinc/62/99/07/524629907.db2.gz DHLMSYKGVDVNFZ-JTQLQIEISA-N 1 0 294.786 2.165 10 0 CEAERO C[C@H]1CN(Cc2cnn(C)c2)[C@@](C)(c2ccccc2)C[NH2+]1 ZINC000068699200 524643043 /nfs/dbraw/zinc/64/30/43/524643043.db2.gz JMUIOQTVYLPMFY-WMLDXEAASA-N 1 0 284.407 2.129 10 0 CEAERO C[C@@H]1CC[C@H](C)C[C@H]1[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000068624693 524651053 /nfs/dbraw/zinc/65/10/53/524651053.db2.gz WJOZTILPFQOEDF-YWPYICTPSA-N 1 0 296.436 2.248 10 0 CEAERO C[C@H](C[C@](C)([NH3+])C(N)=O)Oc1ccc2ccccc2c1 ZINC000068656909 524654954 /nfs/dbraw/zinc/65/49/54/524654954.db2.gz YOTMZEBPOUSCHR-BZNIZROVSA-N 1 0 272.348 2.200 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C)N1C(=O)c1c(F)cccc1Cl ZINC000069132564 524697333 /nfs/dbraw/zinc/69/73/33/524697333.db2.gz VRGQXMVWYASWGK-IUCAKERBSA-N 1 0 270.735 2.302 10 0 CEAERO COc1ccccc1S(=O)(=O)[C@H]1CCCCC[C@@H]1C[NH3+] ZINC000068609406 524706738 /nfs/dbraw/zinc/70/67/38/524706738.db2.gz CEAUXNRLCBVCRN-OCCSQVGLSA-N 1 0 297.420 2.377 10 0 CEAERO C[C@H]1COCCN1Cc1cccc(C[NH2+]C2CC2)c1 ZINC000052475780 524724758 /nfs/dbraw/zinc/72/47/58/524724758.db2.gz KBEWVIGQJYJLRI-ZDUSSCGKSA-N 1 0 260.381 2.159 10 0 CEAERO COc1ccccc1[C@@H]([C@H](C)[NH3+])N1CCC[C@@H]1CCCO ZINC000052757499 524744052 /nfs/dbraw/zinc/74/40/52/524744052.db2.gz VBGQYXQEKMSPIK-JJRVBVJISA-N 1 0 292.423 2.320 10 0 CEAERO C[C@H](Cc1ccco1)NC(=O)c1cccc(C[NH3+])c1 ZINC000049126632 524745278 /nfs/dbraw/zinc/74/52/78/524745278.db2.gz XKBOXVPTVHFOJU-LLVKDONJSA-N 1 0 258.321 2.099 10 0 CEAERO Cc1cc(C[NH2+]C[C@H](O)c2ccccc2)c(C)n1C ZINC000052789837 524758894 /nfs/dbraw/zinc/75/88/94/524758894.db2.gz PEWJHPBJLQMTLM-INIZCTEOSA-N 1 0 258.365 2.465 10 0 CEAERO Cc1ccc(F)c(C(=O)N[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000052998629 524797389 /nfs/dbraw/zinc/79/73/89/524797389.db2.gz ZTLJARZTOHMALK-OLZOCXBDSA-N 1 0 250.317 2.134 10 0 CEAERO Cc1cc(C[C@H](C)[NH3+])nc(Cc2ccc(F)cc2)n1 ZINC000054835445 524827506 /nfs/dbraw/zinc/82/75/06/524827506.db2.gz KLZOHJZHBHOWNC-JTQLQIEISA-N 1 0 259.328 2.405 10 0 CEAERO C[C@H]([NH3+])CCc1ccc(OC[C@H](O)C(F)(F)F)cc1 ZINC000068875670 524831841 /nfs/dbraw/zinc/83/18/41/524831841.db2.gz AVQQQTHVOHHTNJ-CABZTGNLSA-N 1 0 277.286 2.268 10 0 CEAERO Cc1ccc(F)c([C@](O)([C@H](C)[NH3+])C(F)(F)F)c1 ZINC000062784290 524834771 /nfs/dbraw/zinc/83/47/71/524834771.db2.gz KMKBGQKHOHWQSY-OIBJUYFYSA-N 1 0 251.223 2.231 10 0 CEAERO Cc1ccc(F)cc1C(=O)N[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000062665067 524847171 /nfs/dbraw/zinc/84/71/71/524847171.db2.gz WENFZAXIEPPYSK-BXUZGUMPSA-N 1 0 264.344 2.395 10 0 CEAERO Cc1cc(Cl)cc(C)c1OCCn1cc(C[NH3+])nn1 ZINC000052651426 524860904 /nfs/dbraw/zinc/86/09/04/524860904.db2.gz ZVEXWORQSQITCL-UHFFFAOYSA-N 1 0 280.759 2.086 10 0 CEAERO COc1ccc(OC)c([C@H]([NH3+])C2CCOCC2)c1 ZINC000061671372 524905778 /nfs/dbraw/zinc/90/57/78/524905778.db2.gz JJSCCPYLRZZTRN-CQSZACIVSA-N 1 0 251.326 2.130 10 0 CEAERO C[C@@H](Cc1ccco1)NC(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050944236 524926799 /nfs/dbraw/zinc/92/67/99/524926799.db2.gz JWJBJKKUOPHSAJ-QWHCGFSZSA-N 1 0 264.369 2.249 10 0 CEAERO C[C@@H](Cc1ccco1)[NH2+]C[C@H](N)Cc1ccccc1 ZINC000049147230 524927720 /nfs/dbraw/zinc/92/77/20/524927720.db2.gz WOPQHZLLCQGFLF-DZGCQCFKSA-N 1 0 258.365 2.370 10 0 CEAERO C[C@@H]1C[N@H+](CC2CCOCC2)[C@H](c2ccccc2)CN1 ZINC000068699061 524936959 /nfs/dbraw/zinc/93/69/59/524936959.db2.gz PHUCXUASKKXECK-PBHICJAKSA-N 1 0 274.408 2.448 10 0 CEAERO C[C@H]1C[C@H]1[NH2+]CC(=O)Nc1ccccc1Br ZINC000052287702 524963291 /nfs/dbraw/zinc/96/32/91/524963291.db2.gz JWERSYKIOWUYKJ-GZMMTYOYSA-N 1 0 283.169 2.386 10 0 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CEAERO COc1ccc([C@H](O)[C@H]([NH3+])Cc2ccccc2)cc1 ZINC000054685550 525379311 /nfs/dbraw/zinc/37/93/11/525379311.db2.gz VLNYOGDZCMKHOG-CVEARBPZSA-N 1 0 257.333 2.299 10 0 CEAERO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccnc(C(N)=S)c2)C1 ZINC000068751771 525385651 /nfs/dbraw/zinc/38/56/51/525385651.db2.gz HWMMUEWZXATOCT-PHIMTYICSA-N 1 0 263.410 2.194 10 0 CEAERO Cc1ccc(OC[C@@H]2CC[C@H](C[NH2+]C(C)C)O2)cn1 ZINC000052596306 525431574 /nfs/dbraw/zinc/43/15/74/525431574.db2.gz VJFNDKHWIPFRSE-CABCVRRESA-N 1 0 264.369 2.314 10 0 CEAERO Cc1ccc(OC[C@H]2CC[C@@H](C[NH2+]C3CC3)O2)cn1 ZINC000052596320 525438863 /nfs/dbraw/zinc/43/88/63/525438863.db2.gz LNUVPHLDKYSUND-LSDHHAIUSA-N 1 0 262.353 2.068 10 0 CEAERO Cc1nc[nH]c1CNCCC[N@@H+](C)Cc1ccccc1 ZINC000054793702 525460051 /nfs/dbraw/zinc/46/00/51/525460051.db2.gz HHWLADPKTRTICI-UHFFFAOYSA-N 1 0 272.396 2.330 10 0 CEAERO Cc1ccc(O[C@H](C)C[C@](C)([NH2+]C2CC2)C(N)=O)cc1 ZINC000068653502 525470435 /nfs/dbraw/zinc/47/04/35/525470435.db2.gz BIVJDVVDULJDRB-WBMJQRKESA-N 1 0 276.380 2.148 10 0 CEAERO Cc1cc([C@@](O)([C@@H](C)[NH3+])C(F)(F)F)ccc1F ZINC000062784453 525501720 /nfs/dbraw/zinc/50/17/20/525501720.db2.gz LPMPARGWTRFIQV-XCBNKYQSSA-N 1 0 251.223 2.231 10 0 CEAERO Cc1cccnc1NC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000052881310 525540914 /nfs/dbraw/zinc/54/09/14/525540914.db2.gz RYHZAWJCBSVBEK-HNNXBMFYSA-N 1 0 255.321 2.203 10 0 CEAERO COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCC[C@@H]1O)CCO2 ZINC000052000680 525579998 /nfs/dbraw/zinc/57/99/98/525579998.db2.gz SUYLRSXYFLOTAX-ZNMIVQPWSA-N 1 0 277.364 2.412 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH2+]CCSC)CCO2 ZINC000069429837 525587656 /nfs/dbraw/zinc/58/76/56/525587656.db2.gz ALONJFZOPKJWTN-GFCCVEGCSA-N 1 0 253.367 2.471 10 0 CEAERO CSC[C@@H](C)C[NH2+]C1CCC2(CC1)OCCO2 ZINC000069439636 525622045 /nfs/dbraw/zinc/62/20/45/525622045.db2.gz XUXIVWCHDCXPPQ-NSHDSACASA-N 1 0 259.415 2.261 10 0 CEAERO Cc1cc2ncc(C[NH2+]C(C3CC3)C3CC3)cn2n1 ZINC000070165936 525680961 /nfs/dbraw/zinc/68/09/61/525680961.db2.gz BAWZUAZWUPWFNB-UHFFFAOYSA-N 1 0 256.353 2.316 10 0 CEAERO CSC[C@H](C)C[NH2+][C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000069438817 525683025 /nfs/dbraw/zinc/68/30/25/525683025.db2.gz HTPSAEDSJJAVQQ-DGCLKSJQSA-N 1 0 299.461 2.494 10 0 CEAERO Cc1ccnc(S[C@H]([C@@H](C)[NH3+])C(F)(F)F)n1 ZINC000051331545 525710571 /nfs/dbraw/zinc/71/05/71/525710571.db2.gz FZXDLNALPHXEPW-RNFRBKRXSA-N 1 0 251.277 2.155 10 0 CEAERO Cc1ccnc(S[C@H](c2ccncc2)[C@@H](C)[NH3+])n1 ZINC000051331537 525710731 /nfs/dbraw/zinc/71/07/31/525710731.db2.gz XJERBLJZMSXMNN-PWSUYJOCSA-N 1 0 260.366 2.361 10 0 CEAERO Cc1c(C[NH2+]C(C)C)cnn1[C@H]1CCCC[C@@H]1O ZINC000054600042 525721911 /nfs/dbraw/zinc/72/19/11/525721911.db2.gz ZIPBAGYRYJLWHA-KBPBESRZSA-N 1 0 251.374 2.166 10 0 CEAERO C[C@@](CC[N@@H+]1CCCC(C)(C)C1)([NH2+]C1CC1)C(=O)[O-] ZINC000069517128 525739825 /nfs/dbraw/zinc/73/98/25/525739825.db2.gz PYYTZYPQEDCXJX-HNNXBMFYSA-N 1 0 268.401 2.094 10 0 CEAERO C[C@@]([NH3+])(C(=O)Nc1ccc2c[nH]nc2c1)c1ccccc1 ZINC000052881938 525749212 /nfs/dbraw/zinc/74/92/12/525749212.db2.gz BYZRAOYAYCBPMU-INIZCTEOSA-N 1 0 280.331 2.376 10 0 CEAERO C[C@@](O)(COc1ccc2c(c1)OC[C@@H]2[NH3+])c1ccccc1 ZINC000062803389 525779903 /nfs/dbraw/zinc/77/99/03/525779903.db2.gz HQCCGDWYAUVYBM-DOTOQJQBSA-N 1 0 285.343 2.365 10 0 CEAERO Cc1ccc(-c2nc(CN3[C@H](C)C[NH2+]C[C@@H]3C)no2)cc1 ZINC000069134658 525812074 /nfs/dbraw/zinc/81/20/74/525812074.db2.gz KUGMVJBEOWPQOA-BETUJISGSA-N 1 0 286.379 2.227 10 0 CEAERO C[C@@H](O)c1ccc(N2CC[NH+](CC3CC3)CC2)c(F)c1 ZINC000048994677 525869290 /nfs/dbraw/zinc/86/92/90/525869290.db2.gz WCPHFWQNSAXABJ-GFCCVEGCSA-N 1 0 278.371 2.411 10 0 CEAERO C[C@@H](O)c1ccccc1NC(=O)C1CCC([NH3+])CC1 ZINC000049547358 525871362 /nfs/dbraw/zinc/87/13/62/525871362.db2.gz CIVPGMJXMVWDRW-VOMCLLRMSA-N 1 0 262.353 2.196 10 0 CEAERO C[C@@H](O)c1ccccc1NC(=O)CCCCC[NH3+] ZINC000049547301 525871654 /nfs/dbraw/zinc/87/16/54/525871654.db2.gz ZZKLMSGGDSQIBM-LLVKDONJSA-N 1 0 250.342 2.198 10 0 CEAERO C[C@@]1(c2ccccc2)CN(CC(F)(F)F)CC[NH2+]1 ZINC000068693666 525900906 /nfs/dbraw/zinc/90/09/06/525900906.db2.gz DAVBZCGYRFFAAO-LBPRGKRZSA-N 1 0 258.287 2.369 10 0 CEAERO C[C@H](O[C@H]1CC[C@@H](C)[NH2+]C1)C(=O)Nc1ccccc1 ZINC000050211621 525923152 /nfs/dbraw/zinc/92/31/52/525923152.db2.gz RSHNHMDHYBKDGC-DYEKYZERSA-N 1 0 262.353 2.171 10 0 CEAERO Cc1ccc([C@H](C)NS(=O)(=O)c2ccccc2C[NH3+])o1 ZINC000049204556 525932788 /nfs/dbraw/zinc/93/27/88/525932788.db2.gz DAJIPIZBMLVPOK-NSHDSACASA-N 1 0 294.376 2.086 10 0 CEAERO C[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000070119954 525940652 /nfs/dbraw/zinc/94/06/52/525940652.db2.gz PQXHQQHYFGJRLE-YPMHNXCESA-N 1 0 296.798 2.366 10 0 CEAERO Cc1ccc(=O)n(C[C@H]([NH3+])c2cccc3ccccc32)n1 ZINC000061810452 525977525 /nfs/dbraw/zinc/97/75/25/525977525.db2.gz TXHWXRHOWDMHGM-INIZCTEOSA-N 1 0 279.343 2.405 10 0 CEAERO Cc1ccc([C@H]([C@@H](C)[NH3+])N(CCO)Cc2ccccc2)o1 ZINC000050513890 525978020 /nfs/dbraw/zinc/97/80/20/525978020.db2.gz RJKZVAIBTGAKOT-PBHICJAKSA-N 1 0 288.391 2.471 10 0 CEAERO CCCC[C@@H](COC)[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000089732743 534899222 /nfs/dbraw/zinc/89/92/22/534899222.db2.gz WOMNQFWYHGFCTK-CABCVRRESA-N 1 0 292.427 2.240 10 0 CEAERO C[C@@H](c1ccc(Br)cc1)N1C[C@H]([NH3+])CC1=O ZINC000049526770 526037711 /nfs/dbraw/zinc/03/77/11/526037711.db2.gz BREGPPHYBUDXTQ-GZMMTYOYSA-N 1 0 283.169 2.070 10 0 CEAERO Cc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCC[NH2+]2)c(C)n1 ZINC000055331148 526099725 /nfs/dbraw/zinc/09/97/25/526099725.db2.gz ZIJPIDUMEIQIKV-HUUCEWRRSA-N 1 0 273.380 2.055 10 0 CEAERO COc1cccc(N2CCN([C@H](C)C[NH2+]C(C)C)CC2)c1 ZINC000052423670 526155858 /nfs/dbraw/zinc/15/58/58/526155858.db2.gz VMVABFNZYFJMRU-OAHLLOKOSA-N 1 0 291.439 2.204 10 0 CEAERO Cc1ccc(C(=O)NC[C@@H]2CC[C@H](C)[NH2+]C2)c(C)c1 ZINC000062036672 526176207 /nfs/dbraw/zinc/17/62/07/526176207.db2.gz WBUXXOPKLZWZJG-UONOGXRCSA-N 1 0 260.381 2.421 10 0 CEAERO C[C@H](C(=O)c1ccc(Cl)cc1)N1CCC[NH2+]CC1 ZINC000050153711 526190761 /nfs/dbraw/zinc/19/07/61/526190761.db2.gz BCIWOYICZCQMKJ-LLVKDONJSA-N 1 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299.465 2.176 10 0 CEAERO O=C([C@@H]1CC12CC[NH2+]CC2)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000070252790 526460615 /nfs/dbraw/zinc/46/06/15/526460615.db2.gz CCVXXYYTSSQJAB-KFWWJZLASA-N 1 0 276.424 2.415 10 0 CEAERO c1ccc(OCCC[NH2+][C@H]2CCN(C3CC3)C2)cc1 ZINC000061815765 526484333 /nfs/dbraw/zinc/48/43/33/526484333.db2.gz NMELYQASJWUJAC-AWEZNQCLSA-N 1 0 260.381 2.282 10 0 CEAERO c1ccc2c(c1)cnnc2N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051360498 526515922 /nfs/dbraw/zinc/51/59/22/526515922.db2.gz VOAQCJMQHLTEIJ-LSDHHAIUSA-N 1 0 268.364 2.351 10 0 CEAERO Cc1nnc(Sc2ccc(C(N)=[NH2+])cc2Cl)[nH]1 ZINC000062794889 526533606 /nfs/dbraw/zinc/53/36/06/526533606.db2.gz ASOUYBPLLLKBSA-UHFFFAOYSA-N 1 0 267.745 2.202 10 0 CEAERO c1coc(CC[NH2+]C[C@@H]2CNc3ccccc3O2)c1 ZINC000049147260 526564815 /nfs/dbraw/zinc/56/48/15/526564815.db2.gz PFOZMQIBAJNUJD-CYBMUJFWSA-N 1 0 258.321 2.285 10 0 CEAERO c1coc(CC[NH2+]C[C@@H]2Cc3ccccc3CN2)c1 ZINC000049147258 526565906 /nfs/dbraw/zinc/56/59/06/526565906.db2.gz PXYLFUHLKZNUOT-HNNXBMFYSA-N 1 0 256.349 2.126 10 0 CEAERO O=C(CC[C@H]1CCCCO1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000069398741 526566935 /nfs/dbraw/zinc/56/69/35/526566935.db2.gz UFJXVIINVQJWIT-OAGGEKHMSA-N 1 0 294.439 2.326 10 0 CEAERO c1coc(COC[C@@H]2CC[C@H](C[NH2+]C3CC3)O2)c1 ZINC000052602009 526567788 /nfs/dbraw/zinc/56/77/88/526567788.db2.gz FTBAKGNPGCNFQO-OCCSQVGLSA-N 1 0 251.326 2.096 10 0 CEAERO O=C(NC[C@H]1CC=CCC1)c1cccn1C1CC[NH2+]CC1 ZINC000054443978 526586328 /nfs/dbraw/zinc/58/63/28/526586328.db2.gz QOCXVPNCKWICPB-AWEZNQCLSA-N 1 0 287.407 2.499 10 0 CEAERO Cc1nc(-c2ccccc2)cc(N2CCC[NH2+]CC2)n1 ZINC000045951091 526595182 /nfs/dbraw/zinc/59/51/82/526595182.db2.gz XQGOAIMBVAIGLN-UHFFFAOYSA-N 1 0 268.364 2.252 10 0 CEAERO Cc1nc(-c2cnccn2)nc(C)c1CCC[NH2+]C(C)C ZINC000054837736 526620643 /nfs/dbraw/zinc/62/06/43/526620643.db2.gz YJRQXFCVEJSJKL-UHFFFAOYSA-N 1 0 285.395 2.481 10 0 CEAERO C[NH2+]C[C@H]1CCCN(c2ccc(C(=O)OC)c(F)c2F)C1 ZINC000094271960 536465714 /nfs/dbraw/zinc/46/57/14/536465714.db2.gz RYCACNYNGKCATI-SNVBAGLBSA-N 1 0 298.333 2.187 10 0 CEAERO Cc1oc(C[NH2+]C(C)C)cc1CN1CCOC[C@@H]1C ZINC000052476087 526775358 /nfs/dbraw/zinc/77/53/58/526775358.db2.gz OFMVHVJNLVPGCR-LBPRGKRZSA-N 1 0 266.385 2.307 10 0 CEAERO Cc1nc(N2CCCC2)nc(C)c1C[NH2+]CC(C)C ZINC000054854529 526964460 /nfs/dbraw/zinc/96/44/60/526964460.db2.gz RTFFRLNFFJFQBE-UHFFFAOYSA-N 1 0 262.401 2.439 10 0 CEAERO NC(=O)[C@H](CCSC1CCCCC1)[NH2+]C1CC1 ZINC000062601040 526992532 /nfs/dbraw/zinc/99/25/32/526992532.db2.gz OTUOMLDNBOMKJB-LBPRGKRZSA-N 1 0 256.415 2.048 10 0 CEAERO NC(=O)[C@H](CCSc1ccc2c(c1)CCC2)[NH2+]C1CC1 ZINC000062600475 526992855 /nfs/dbraw/zinc/99/28/55/526992855.db2.gz MKNITDFRXMUZHQ-HNNXBMFYSA-N 1 0 290.432 2.263 10 0 CEAERO NC(=O)c1cc(Cl)ccc1N[C@H]1CCCC[C@@H]1[NH3+] ZINC000052858648 527026688 /nfs/dbraw/zinc/02/66/88/527026688.db2.gz VEAILMWPMLWPPA-JQWIXIFHSA-N 1 0 267.760 2.121 10 0 CEAERO O=C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCCn1ccnc1 ZINC000054601243 527033900 /nfs/dbraw/zinc/03/39/00/527033900.db2.gz KUFUKUONHNAECW-OKILXGFUSA-N 1 0 261.369 2.249 10 0 CEAERO NC(=O)c1ccc(Cl)cc1N[C@@H]1CCCC[C@H]1[NH3+] ZINC000062785780 527053842 /nfs/dbraw/zinc/05/38/42/527053842.db2.gz ABJUVXRYQNNRSV-GHMZBOCLSA-N 1 0 267.760 2.121 10 0 CEAERO NC(=O)c1ccc(N2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000062791381 527057641 /nfs/dbraw/zinc/05/76/41/527057641.db2.gz KUHASUMKXQXWAR-GXTWGEPZSA-N 1 0 293.798 2.160 10 0 CEAERO [NH3+]C1CCC(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000055143908 527141585 /nfs/dbraw/zinc/14/15/85/527141585.db2.gz XPXVWDTZSUWTBK-UHFFFAOYSA-N 1 0 275.320 2.008 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1cccnc1Cl ZINC000052709607 527146704 /nfs/dbraw/zinc/14/67/04/527146704.db2.gz VVLAVIRNKVPCMO-YOGCLGLASA-N 1 0 251.761 2.189 10 0 CEAERO [NH3+]C[C@@H](Oc1cncc(Br)c1)C(F)(F)F ZINC000070043305 527206110 /nfs/dbraw/zinc/20/61/10/527206110.db2.gz JNWKZRXLQFWTLP-SSDOTTSWSA-N 1 0 285.063 2.113 10 0 CEAERO [NH3+]CCCN(c1ccccc1)c1ncnc2c1CCC2 ZINC000061276225 527179207 /nfs/dbraw/zinc/17/92/07/527179207.db2.gz QCQNGRYRJFITPR-UHFFFAOYSA-N 1 0 268.364 2.452 10 0 CEAERO [NH3+]CCCc1nc2cc(Br)ccc2o1 ZINC000062537208 527183636 /nfs/dbraw/zinc/18/36/36/527183636.db2.gz UVGAAFPNVHPGSP-UHFFFAOYSA-N 1 0 255.115 2.482 10 0 CEAERO [NH3+]CCc1cc(Br)cc2c1OCCC2 ZINC000062626161 527195396 /nfs/dbraw/zinc/19/53/96/527195396.db2.gz BGLPEHGXURFWMQ-UHFFFAOYSA-N 1 0 256.143 2.275 10 0 CEAERO [NH3+]CC[C@H]1CN([C@@H]2CCCC[C@@H]2O)c2ccccc21 ZINC000063129053 527195535 /nfs/dbraw/zinc/19/55/35/527195535.db2.gz YORCKPYGKILMKL-MAZHCROVSA-N 1 0 260.381 2.243 10 0 CEAERO [NH3+]CCc1ccc(CN2C(=O)CC3(CCCC3)C2=O)cc1 ZINC000052899520 527196185 /nfs/dbraw/zinc/19/61/85/527196185.db2.gz KASYRAYPJJQXQK-UHFFFAOYSA-N 1 0 286.375 2.007 10 0 CEAERO [NH3+]CCc1ccc(-c2nncn2-c2ccccc2)cc1 ZINC000054526720 527196925 /nfs/dbraw/zinc/19/69/25/527196925.db2.gz IUZQTPYBUFEUIU-UHFFFAOYSA-N 1 0 264.332 2.436 10 0 CEAERO [NH3+]CCc1nnc(Cc2ccc(C(F)(F)F)cc2)o1 ZINC000050518931 527200997 /nfs/dbraw/zinc/20/09/97/527200997.db2.gz FLSUYKDZMRGOAA-UHFFFAOYSA-N 1 0 271.242 2.180 10 0 CEAERO [NH3+]C[C@H](C(=O)NCc1ccc(F)cc1)c1ccccc1 ZINC000061610854 527223539 /nfs/dbraw/zinc/22/35/39/527223539.db2.gz ZOTFFVXAHQLHCS-HNNXBMFYSA-N 1 0 272.323 2.184 10 0 CEAERO [NH3+]C[C@H](c1cc2ccccc2o1)N1CCSCC1 ZINC000068810869 527228731 /nfs/dbraw/zinc/22/87/31/527228731.db2.gz UTUHGHCWOCWOSK-GFCCVEGCSA-N 1 0 262.378 2.481 10 0 CEAERO [NH3+]Cc1c2ccccc2oc1COC[C@H]1CCOC1 ZINC000052704671 527243564 /nfs/dbraw/zinc/24/35/64/527243564.db2.gz QPQYGPQGXGEUCA-NSHDSACASA-N 1 0 261.321 2.445 10 0 CEAERO [NH3+]Cc1ccc(F)cc1CS(=O)(=O)c1ccccc1 ZINC000069403888 527254277 /nfs/dbraw/zinc/25/42/77/527254277.db2.gz RCDJUGNCYJZJIF-UHFFFAOYSA-N 1 0 279.336 2.258 10 0 CEAERO [NH3+]Cc1ccc(NC(=O)NCCc2ccco2)cc1 ZINC000049147543 527256484 /nfs/dbraw/zinc/25/64/84/527256484.db2.gz YYHRPNSVRJCYIX-UHFFFAOYSA-N 1 0 259.309 2.103 10 0 CEAERO [NH3+]Cc1cccc(NS(=O)(=O)CC2CCCCC2)c1 ZINC000049042943 527260733 /nfs/dbraw/zinc/26/07/33/527260733.db2.gz HNTNVRQMVWZPRG-UHFFFAOYSA-N 1 0 282.409 2.467 10 0 CEAERO [NH3+]Cc1ncccc1CN1CCc2sccc2C1 ZINC000061656555 527266548 /nfs/dbraw/zinc/26/65/48/527266548.db2.gz DSCQRSLSKUXJSR-UHFFFAOYSA-N 1 0 259.378 2.160 10 0 CEAERO NNc1[nH+]cc(C(=O)N2CCCCCCC2)cc1Cl ZINC000051092988 527287431 /nfs/dbraw/zinc/28/74/31/527287431.db2.gz YEYCFMBFDOLHEY-UHFFFAOYSA-N 1 0 282.775 2.427 10 0 CEAERO NNc1[nH+]cccc1Cn1ccnc1-c1cccs1 ZINC000052725807 527288434 /nfs/dbraw/zinc/28/84/34/527288434.db2.gz AEIOJICLMOELCM-UHFFFAOYSA-N 1 0 271.349 2.341 10 0 CEAERO [NH3+][C@@H]1CCCc2cc(OCc3ncccn3)ccc21 ZINC000054458541 527361839 /nfs/dbraw/zinc/36/18/39/527361839.db2.gz FEITWUIOLXEMAQ-CQSZACIVSA-N 1 0 255.321 2.392 10 0 CEAERO [NH3+][C@H](c1nc2cc(Br)cnc2[nH]1)C1CC1 ZINC000054502155 527392553 /nfs/dbraw/zinc/39/25/53/527392553.db2.gz MYVMASZGADDXCI-QMMMGPOBSA-N 1 0 267.130 2.130 10 0 CEAERO [NH3+][C@H](c1nc2cc3c(cc2[nH]1)OCCCO3)C1CC1 ZINC000054501687 527392778 /nfs/dbraw/zinc/39/27/78/527392778.db2.gz HRQNHQKANWUMBT-ZDUSSCGKSA-N 1 0 259.309 2.134 10 0 CEAERO [NH3+][C@H]1CCCCC[C@@H]1NC(=O)COc1cccc(Cl)c1 ZINC000063210354 527393559 /nfs/dbraw/zinc/39/35/59/527393559.db2.gz PMEUSIYUVUYQDI-KBPBESRZSA-N 1 0 296.798 2.495 10 0 CEAERO [NH3+][C@H]1CCCCC[C@@H]1NC(=O)c1cc(F)c(F)c(F)c1 ZINC000063210036 527394176 /nfs/dbraw/zinc/39/41/76/527394176.db2.gz VAYNIQHFAGSBDJ-RYUDHWBXSA-N 1 0 286.297 2.494 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1NC(=O)c1ccc(Br)cc1 ZINC000063173852 527407380 /nfs/dbraw/zinc/40/73/80/527407380.db2.gz SCWHKHVDCJAXKY-WDEREUQCSA-N 1 0 283.169 2.059 10 0 CEAERO Cc1nccn1CCN1CC[NH2+]C[C@]1(C)c1ccccc1 ZINC000068696571 527426675 /nfs/dbraw/zinc/42/66/75/527426675.db2.gz GDHSGUWNFROLBN-QGZVFWFLSA-N 1 0 284.407 2.012 10 0 CEAERO O=c1c(Br)cccn1CC[C@@H]1CCCC[NH2+]1 ZINC000057837170 527450412 /nfs/dbraw/zinc/45/04/12/527450412.db2.gz UPAMMEYCYCXDKH-JTQLQIEISA-N 1 0 285.185 2.143 10 0 CEAERO O=c1c2ccccc2cnn1CCC[NH2+]C1CCCC1 ZINC000053521250 527464076 /nfs/dbraw/zinc/46/40/76/527464076.db2.gz LQTOCPQPYVMSTG-UHFFFAOYSA-N 1 0 271.364 2.319 10 0 CEAERO O=c1c2ccsc2ncn1CC[NH2+]C1CCCCC1 ZINC000053522119 527468386 /nfs/dbraw/zinc/46/83/86/527468386.db2.gz KNIWFPKGCYQOLI-UHFFFAOYSA-N 1 0 277.393 2.380 10 0 CEAERO Cc1nn(-c2ncccc2C[NH3+])c(C)c1Br ZINC000050588553 527572679 /nfs/dbraw/zinc/57/26/79/527572679.db2.gz QYYDENOYMKAOAW-UHFFFAOYSA-N 1 0 281.157 2.105 10 0 CEAERO O[C@@H](C[NH2+][C@@H]1CCOc2ccccc21)C(F)(F)F ZINC000068879908 527654289 /nfs/dbraw/zinc/65/42/89/527654289.db2.gz YZBKDGLBRQAHRU-KOLCDFICSA-N 1 0 261.243 2.023 10 0 CEAERO Cc1nn(C)c(N2CC[C@@H](C)C2)c1C[NH2+]C(C)(C)C ZINC000062736632 527676853 /nfs/dbraw/zinc/67/68/53/527676853.db2.gz VEYBGGGUSAXFJW-LLVKDONJSA-N 1 0 264.417 2.463 10 0 CEAERO FC(F)(F)[C@H]1CCCN(CC[NH2+]CC2CC2)C1 ZINC000053343001 527678336 /nfs/dbraw/zinc/67/83/36/527678336.db2.gz GEJHXZFPOFRKPO-NSHDSACASA-N 1 0 250.308 2.260 10 0 CEAERO CC[C@@H](O)C[NH+]1CCN([C@H](C)c2cc(F)ccc2F)CC1 ZINC000174086306 529229634 /nfs/dbraw/zinc/22/96/34/529229634.db2.gz UWGQAIJKXUTSDM-TZMCWYRMSA-N 1 0 298.377 2.414 10 0 CEAERO CCC([NH3+])(CC)C(=O)N1CCN(c2cccc(C)c2)CC1 ZINC000094243527 535182448 /nfs/dbraw/zinc/18/24/48/535182448.db2.gz ZYFHZKLMZPRNTF-UHFFFAOYSA-N 1 0 289.423 2.161 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccccc1N1CCNC(=O)[C@@H]1C ZINC000110658748 535186083 /nfs/dbraw/zinc/18/60/83/535186083.db2.gz LMTOPJQVLJLPSL-STQMWFEESA-N 1 0 275.396 2.072 10 0 CEAERO CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCOC2)c2ccccc21 ZINC000071324511 535516477 /nfs/dbraw/zinc/51/64/77/535516477.db2.gz DHAFQMYXOSJVHX-OCCSQVGLSA-N 1 0 274.364 2.110 10 0 CEAERO CC[C@@]1(C)CN(c2ccc(F)cc2OC)CC[NH2+]1 ZINC000086145056 536060124 /nfs/dbraw/zinc/06/01/24/536060124.db2.gz PHUALLOHRZUYFG-AWEZNQCLSA-N 1 0 252.333 2.413 10 0 CEAERO C[NH2+][C@H](C)C1CCN(c2ncnc3ccccc32)CC1 ZINC000111717209 536388450 /nfs/dbraw/zinc/38/84/50/536388450.db2.gz CWBIVLJNSYLLGE-GFCCVEGCSA-N 1 0 270.380 2.454 10 0 CEAERO CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)C1CC[NH2+]CC1 ZINC000262119768 536564712 /nfs/dbraw/zinc/56/47/12/536564712.db2.gz JKHMMMZUDRMYGA-IAQYHMDHSA-N 1 0 294.370 2.018 10 0 CEAERO COc1cc(N2CCCC[C@@H]2C[NH2+]CC(C)C)nc(C)n1 ZINC000090787310 536827520 /nfs/dbraw/zinc/82/75/20/536827520.db2.gz APIRLOMNOHMHHV-CQSZACIVSA-N 1 0 292.427 2.398 10 0 CEAERO COc1cccc2c1N(C(=O)[C@H]1CCC[C@@H]1C[NH3+])CCC2 ZINC000089458029 536958320 /nfs/dbraw/zinc/95/83/20/536958320.db2.gz ISIJRPGNHFHZET-KGLIPLIRSA-N 1 0 288.391 2.349 10 0 CEAERO COc1ccccc1N1CC[NH+]([C@@H]2CCC[C@@H](O)C2)CC1 ZINC000093731517 537069801 /nfs/dbraw/zinc/06/98/01/537069801.db2.gz XLPROLVZOLIHLN-HUUCEWRRSA-N 1 0 290.407 2.121 10 0 CEAERO COc1cc([C@H]2[NH2+]CCc3ccsc32)sn1 ZINC000712526247 538752310 /nfs/dbraw/zinc/75/23/10/538752310.db2.gz IPFVFKHFHBTQPY-SNVBAGLBSA-N 1 0 252.364 2.448 10 0 CEAERO FC(F)(F)[C@@H]1CCC[C@@]2(C1)[NH2+]C1(COC1)CCO2 ZINC000757143502 574510272 /nfs/dbraw/zinc/51/02/72/574510272.db2.gz DIVSBJZORBIUTF-MWLCHTKSSA-N 1 0 265.275 2.214 10 0 CEAERO Cc1cc(Br)c2c(c1)[C@H](C[NH3+])CC(=O)N2 ZINC000757175963 574511268 /nfs/dbraw/zinc/51/12/68/574511268.db2.gz PYBZEVSXUWNTQX-ZETCQYMHSA-N 1 0 269.142 2.142 10 0 CEAERO CC[N@@H+]1CCC[C@@H](c2ccc(NS(C)(=O)=O)cc2)C1 ZINC000757567109 574514037 /nfs/dbraw/zinc/51/40/37/574514037.db2.gz NGJQKAJGBUNJDG-CYBMUJFWSA-N 1 0 282.409 2.257 10 0 CEAERO CC[C@@](C)(C[NH3+])[C@H](O)c1cnn(Cc2ccccc2)c1 ZINC000394456229 570282217 /nfs/dbraw/zinc/28/22/17/570282217.db2.gz RICSRCDEILZRKK-CVEARBPZSA-N 1 0 273.380 2.340 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CSC(C)(C)C ZINC000176964963 625328229 /nfs/dbraw/zinc/32/82/29/625328229.db2.gz ZQZJKQULKBPIPP-GFCCVEGCSA-N 1 0 272.458 2.461 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(O)c(F)c1 ZINC000235379313 625354550 /nfs/dbraw/zinc/35/45/50/625354550.db2.gz JKNBCZDUPHTJFA-DGCLKSJQSA-N 1 0 264.344 2.200 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1CC1(Cl)Cl ZINC000177027560 625361259 /nfs/dbraw/zinc/36/12/59/625361259.db2.gz OUARDKSZIQUWAV-UWVGGRQHSA-N 1 0 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CCC(CC)(C[NH3+])C(=O)N[C@@H]1CCOc2ccccc21 ZINC000051987631 624725334 /nfs/dbraw/zinc/72/53/34/624725334.db2.gz PUWAUSQCMODNLK-CYBMUJFWSA-N 1 0 276.380 2.392 10 0 CEAERO Cc1cc(Br)cc(C[NH2+][C@@H]2C[C@H]2CO)c1 ZINC000309080663 625257021 /nfs/dbraw/zinc/25/70/21/625257021.db2.gz PDFDSXUVVAMPKE-CMPLNLGQSA-N 1 0 270.170 2.228 10 0 CEAERO CC(C)([NH3+])CCNc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000311744968 627695405 /nfs/dbraw/zinc/69/54/05/627695405.db2.gz YEQRBGUOGUJZMS-UHFFFAOYSA-N 1 0 292.351 2.222 10 0 CEAERO CC(C)C1CCC(C[NH2+][C@@H]2CCCN(CCO)C2)CC1 ZINC000395078475 627976566 /nfs/dbraw/zinc/97/65/66/627976566.db2.gz VBTQCFUXSNLTHS-OFLPRAFFSA-N 1 0 282.472 2.495 10 0 CEAERO C[NH2+]C1(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)CCC1 ZINC000312015050 628056606 /nfs/dbraw/zinc/05/66/06/628056606.db2.gz XKDGVXDZWYYGAQ-ZJUUUORDSA-N 1 0 278.318 2.366 10 0 CEAERO C[NH+](C)C[C@H](NC(=O)/C=C/c1ccc[nH]1)c1ccccc1 ZINC000189647791 628316373 /nfs/dbraw/zinc/31/63/73/628316373.db2.gz XPLBNHPQLSJJJJ-OFAQMXQXSA-N 1 0 283.375 2.447 10 0 CEAERO CN(Cc1cccc2c1NCCC2)C[C@@H]1CC[N@H+](C)C1 ZINC000312738431 628494379 /nfs/dbraw/zinc/49/43/79/628494379.db2.gz UTWWIAPXPCTNIZ-CQSZACIVSA-N 1 0 273.424 2.428 10 0 CEAERO Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](C)C[C@@H]3C2)cc(Cl)n1 ZINC000313109758 628579298 /nfs/dbraw/zinc/57/92/98/628579298.db2.gz ZGWFTVXJKKYVBX-DGCLKSJQSA-N 1 0 293.798 2.067 10 0 CEAERO CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@@H]1CCCO[C@H]1C ZINC000249187353 628719271 /nfs/dbraw/zinc/71/92/71/628719271.db2.gz YKLZZJFSOZBMNZ-SOUVJXGZSA-N 1 0 281.396 2.078 10 0 CEAERO OCCN1CCC([NH2+][C@H](c2ccccc2)C2CC2)CC1 ZINC000399127901 628777235 /nfs/dbraw/zinc/77/72/35/628777235.db2.gz UIXRQRGFPZFSTE-QGZVFWFLSA-N 1 0 274.408 2.184 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)C1 ZINC000219536176 628811463 /nfs/dbraw/zinc/81/14/63/628811463.db2.gz UGEQYAXRFBQTGZ-LXTVHRRPSA-N 1 0 254.418 2.121 10 0 CEAERO CC(C)CN(C(=O)[C@@H]1C[NH2+]C[C@H]1C)C1CCCC1 ZINC000094847564 628878487 /nfs/dbraw/zinc/87/84/87/628878487.db2.gz QBLYWDPDNVRHDB-TZMCWYRMSA-N 1 0 252.402 2.269 10 0 CEAERO CC1(C)C[C@@H]1c1noc(-c2csc(C[NH3+])n2)n1 ZINC000225473739 628891883 /nfs/dbraw/zinc/89/18/83/628891883.db2.gz UDGMAMJQCQXKIN-ZCFIWIBFSA-N 1 0 250.327 2.165 10 0 CEAERO Cc1csc2c1ncnc2N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000261550746 628937396 /nfs/dbraw/zinc/93/73/96/628937396.db2.gz PRHDJUYHUVNEPO-SCZZXKLOSA-N 1 0 262.382 2.173 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)Nc1ccc(Cl)cc1 ZINC000261557781 628938013 /nfs/dbraw/zinc/93/80/13/628938013.db2.gz SALNKIRPQBQFCR-GZMMTYOYSA-N 1 0 253.733 2.293 10 0 CEAERO Cc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)cc1Br ZINC000261565076 628938488 /nfs/dbraw/zinc/93/84/88/628938488.db2.gz YEKMFMRWSLPIEY-JOYOIKCWSA-N 1 0 297.196 2.319 10 0 CEAERO COc1ccc(Br)cc1CN1CC[C@@H]([NH3+])[C@H]1C ZINC000261559790 628938784 /nfs/dbraw/zinc/93/87/84/628938784.db2.gz UBVPKSXRQOEBRB-BXKDBHETSA-N 1 0 299.212 2.379 10 0 CEAERO Cc1nsc(NC[C@H]2[NH2+]CCc3ccccc32)n1 ZINC000261574291 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631186063 /nfs/dbraw/zinc/18/60/63/631186063.db2.gz IBNYGKWQMRUNTD-LSDHHAIUSA-N 1 0 260.381 2.438 10 0 CEAERO Cc1cccc(CSCC(=O)N[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000237644075 631405872 /nfs/dbraw/zinc/40/58/72/631405872.db2.gz KREWMIMRJWWSGZ-CABCVRRESA-N 1 0 292.448 2.472 10 0 CEAERO c1cc2ncc(-c3noc([C@H]4CC[NH2+]C4)n3)cc2s1 ZINC000163486708 631750976 /nfs/dbraw/zinc/75/09/76/631750976.db2.gz KVLANIZPLRHAKE-QMMMGPOBSA-N 1 0 272.333 2.423 10 0 CEAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1cc(C)cc(F)c1 ZINC000757184138 631830177 /nfs/dbraw/zinc/83/01/77/631830177.db2.gz JFEBBEZIBJXDEZ-OLZOCXBDSA-N 1 0 251.301 2.000 10 0 CEAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccnc(Cl)c1 ZINC000757186646 631831682 /nfs/dbraw/zinc/83/16/82/631831682.db2.gz DOLWNPCEBRJLQH-WDEREUQCSA-N 1 0 282.771 2.380 10 0 CEAERO CON1CCC([NH2+][C@H]2CCOc3ccccc32)CC1 ZINC000323122770 632286246 /nfs/dbraw/zinc/28/62/46/632286246.db2.gz MACSQEJAMJFATQ-AWEZNQCLSA-N 1 0 262.353 2.126 10 0 CEAERO CC(C)(CO)[NH2+]CCOc1ccc(Br)cc1 ZINC000042237736 632888469 /nfs/dbraw/zinc/88/84/69/632888469.db2.gz NIMUYDZHRFSTSJ-UHFFFAOYSA-N 1 0 288.185 2.188 10 0 CEAERO COc1ccccc1[C@@H](C)NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000149324794 636949063 /nfs/dbraw/zinc/94/90/63/636949063.db2.gz XMAPTMRZCKCHDM-MBNYWOFBSA-N 1 0 276.380 2.247 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1ccc(Cl)nc1 ZINC000149612576 637360533 /nfs/dbraw/zinc/36/05/33/637360533.db2.gz SLKHTZAGPMUMTG-SECBINFHSA-N 1 0 253.733 2.063 10 0 CEAERO CCO[C@H]1C[C@H]([N@H+](C)CN2CCOC2=S)C12CCCC2 ZINC000156504161 639360668 /nfs/dbraw/zinc/36/06/68/639360668.db2.gz IXYWEFTWLGOKSA-STQMWFEESA-N 1 0 298.452 2.231 10 0 CEAERO Cc1nc2ccccc2cc1C(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC000222556013 639382824 /nfs/dbraw/zinc/38/28/24/639382824.db2.gz MIBZOLBDRZWSJY-QGZVFWFLSA-N 1 0 295.386 2.367 10 0 CEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(C2CC2)cc1 ZINC000166567452 639468019 /nfs/dbraw/zinc/46/80/19/639468019.db2.gz CKCYORFSARLEPF-HUUCEWRRSA-N 1 0 259.349 2.430 10 0 CEAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(C2CC2)cc1 ZINC000166567805 639468120 /nfs/dbraw/zinc/46/81/20/639468120.db2.gz CKCYORFSARLEPF-GJZGRUSLSA-N 1 0 259.349 2.430 10 0 CEAERO Cc1cc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])cnc1Cl ZINC000227428511 639591853 /nfs/dbraw/zinc/59/18/53/639591853.db2.gz YZYQAYVFKYMCRB-KOLCDFICSA-N 1 0 267.760 2.357 10 0 CEAERO C[C@@H](O)CCC[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000227714487 639601344 /nfs/dbraw/zinc/60/13/44/639601344.db2.gz HXYYDWFGBZHBSZ-MFKMUULPSA-N 1 0 291.313 2.489 10 0 CEAERO CO[C@@H]1C[C@@H]([NH2+]C[C@@](C)(O)c2ccccc2)C1(C)C ZINC000227790716 639605327 /nfs/dbraw/zinc/60/53/27/639605327.db2.gz XLEZTRJLBGYQMK-IIAWOOMASA-N 1 0 263.381 2.297 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000228115141 639617909 /nfs/dbraw/zinc/61/79/09/639617909.db2.gz VXELEPAIXDOFIQ-LJISPDSOSA-N 1 0 280.412 2.064 10 0 CEAERO CC(C)Nc1ncnc2c1ncn2C[NH+]1CCC(C)CC1 ZINC000170789767 639676239 /nfs/dbraw/zinc/67/62/39/639676239.db2.gz 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FUHDMANQQVWYDJ-JTQLQIEISA-N 1 0 260.790 2.188 10 0 CEAERO COc1ccc([C@H](O)[C@@H](C)C[NH3+])cc1Br ZINC000083021703 178334647 /nfs/dbraw/zinc/33/46/47/178334647.db2.gz FZIHEALCTWJEPU-WRWORJQWSA-N 1 0 274.158 2.086 10 0 CEAERO CCCC[C@H](CCC)CNC(=O)NC[C@@H]1CN(C)CCO1 ZINC000124916857 365662308 /nfs/dbraw/zinc/66/23/08/365662308.db2.gz VDFJEYFXVUVVOO-LSDHHAIUSA-N 1 0 299.459 2.223 10 0 CEAERO C[NH2+][C@@H](CO)CSc1cccc(Br)c1 ZINC000082902427 178328772 /nfs/dbraw/zinc/32/87/72/178328772.db2.gz YDDRLSGDZDPCNI-VIFPVBQESA-N 1 0 276.199 2.122 10 0 CEAERO C[C@@]([NH3+])(CO)CSc1ccc(Br)cc1 ZINC000082904592 178329699 /nfs/dbraw/zinc/32/96/99/178329699.db2.gz NOKMHHWSFWBPEH-SNVBAGLBSA-N 1 0 276.199 2.251 10 0 CEAERO CC[NH2+][C@H](CCO)c1ccc(Br)cc1 ZINC000082918141 178330040 /nfs/dbraw/zinc/33/00/40/178330040.db2.gz XHDVHNSTOZRDNJ-LLVKDONJSA-N 1 0 258.159 2.482 10 0 CEAERO [NH3+][C@]1(Cc2ccc(Br)cc2F)CCOC1 ZINC000083186836 178352011 /nfs/dbraw/zinc/35/20/11/178352011.db2.gz GXADOPDDDIQBHT-NSHDSACASA-N 1 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CEAERO COc1cccc(C[NH2+][C@@H]2CCC[C@H](O)C2)c1OC ZINC000037165275 361902219 /nfs/dbraw/zinc/90/22/19/361902219.db2.gz RBLVBTPEBPJFOW-OLZOCXBDSA-N 1 0 265.353 2.097 10 0 CEAERO CC[C@H]1C[NH2+]C[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC000096958515 185141755 /nfs/dbraw/zinc/14/17/55/185141755.db2.gz BFJIDBFBHCQIRQ-SMDDNHRTSA-N 1 0 254.374 2.243 10 0 CEAERO C[C@@H]1C[C@]2(C[N@@H+]1C)C[C@H](O)c1ccc(F)cc1O2 ZINC000097005824 185150645 /nfs/dbraw/zinc/15/06/45/185150645.db2.gz DPBKPPQLSFUTSC-LJWDBELGSA-N 1 0 251.301 2.104 10 0 CEAERO C[C@H](c1cccs1)n1cncc1[C@@H]1C[NH2+]CCO1 ZINC000097014796 185151448 /nfs/dbraw/zinc/15/14/48/185151448.db2.gz MOQRRDQPWNDSGO-PWSUYJOCSA-N 1 0 263.366 2.215 10 0 CEAERO C[C@]1(c2cncn2CCc2ccsc2)CC[NH2+]C1 ZINC000097022209 185153879 /nfs/dbraw/zinc/15/38/79/185153879.db2.gz YASYUSWPKGEPNP-AWEZNQCLSA-N 1 0 261.394 2.438 10 0 CEAERO [NH3+]CC1CCC(C(=O)NC[C@H]2CCCCS2)CC1 ZINC000097031764 185154625 /nfs/dbraw/zinc/15/46/25/185154625.db2.gz YTGKOSROCUGXHB-WXRRBKDZSA-N 1 0 270.442 2.153 10 0 CEAERO O=C1C(C[NH2+]C2CCCC2)=CC2=CC=C[C@@H]3CCN1[C@@H]23 ZINC000039287484 361987469 /nfs/dbraw/zinc/98/74/69/361987469.db2.gz KPIXDQZOIJEYLH-MLGOLLRUSA-N 1 0 270.376 2.172 10 0 CEAERO [NH3+]Cc1nc(-c2ccc(Br)s2)c[nH]1 ZINC000038002331 361977782 /nfs/dbraw/zinc/97/77/82/361977782.db2.gz KOFSSFGXEQNBNB-UHFFFAOYSA-N 1 0 258.144 2.359 10 0 CEAERO FC(F)(F)c1csc(NC2CC[NH2+]CC2)n1 ZINC000139581505 539166398 /nfs/dbraw/zinc/16/63/98/539166398.db2.gz SPEMHBZVJFZZHQ-UHFFFAOYSA-N 1 0 251.277 2.326 10 0 CEAERO CCN1CCO[C@H](C[NH2+]CC(C(C)C)C(C)C)C1 ZINC000229554113 539167063 /nfs/dbraw/zinc/16/70/63/539167063.db2.gz PKOCWOFIXDNIRH-CQSZACIVSA-N 1 0 256.434 2.225 10 0 CEAERO [NH3+]C1CCC2(CC1)CN(C(=O)C1CCCCC1)CCO2 ZINC000725244490 539191264 /nfs/dbraw/zinc/19/12/64/539191264.db2.gz WCBHXMQBBSBILD-UHFFFAOYSA-N 1 0 280.412 2.066 10 0 CEAERO Cc1ccc2c(c1Br)[C@]1(C[C@@H]1[NH3+])CN2 ZINC000725247463 539192686 /nfs/dbraw/zinc/19/26/86/539192686.db2.gz NJSSIKHLCONILP-GZMMTYOYSA-N 1 0 253.143 2.152 10 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291.395 2.153 10 0 CEAERO CCCC[C@H]([NH3+])C(=O)N1CCC(C2CCOCC2)CC1 ZINC000195554777 344521905 /nfs/dbraw/zinc/52/19/05/344521905.db2.gz DORSVABKAOJVMC-HNNXBMFYSA-N 1 0 282.428 2.169 10 0 CEAERO CC(C)[NH+]1CCN(c2ccc(-c3ccc(N)cc3)nn2)CC1 ZINC000224873468 344544919 /nfs/dbraw/zinc/54/49/19/344544919.db2.gz CEMRMNWARLPCJO-UHFFFAOYSA-N 1 0 297.406 2.256 10 0 CEAERO C[C@@H]1CC[C@H](NC(=O)[C@H]([NH3+])Cc2ccccc2)[C@@H](C)C1 ZINC000226196341 344548662 /nfs/dbraw/zinc/54/86/62/344548662.db2.gz YPJZSNCJSVZWCG-CLWVCHIJSA-N 1 0 274.408 2.497 10 0 CEAERO C[NH2+][C@@H](CO)c1cc(Br)c(Cl)s1 ZINC000227936803 344557564 /nfs/dbraw/zinc/55/75/64/344557564.db2.gz YOENQMWJOKPVEE-YFKPBYRVSA-N 1 0 270.579 2.417 10 0 CEAERO C[C@H](C[NH3+])Nc1cccc(I)c1 ZINC000235468845 344591421 /nfs/dbraw/zinc/59/14/21/344591421.db2.gz MCKXYVVWUUTXJZ-SSDOTTSWSA-N 1 0 276.121 2.050 10 0 CEAERO C[C@H](C[NH3+])Nc1cnc(Cl)c(Br)c1 ZINC000235470343 344591439 /nfs/dbraw/zinc/59/14/39/344591439.db2.gz FYBAHDJCDRWMIE-RXMQYKEDSA-N 1 0 264.554 2.257 10 0 CEAERO CC(C)([NH3+])[C@@H](O)c1ccc(F)cc1Br ZINC000232518981 344577712 /nfs/dbraw/zinc/57/77/12/344577712.db2.gz RHUFFXPYDIMABH-VIFPVBQESA-N 1 0 262.122 2.359 10 0 CEAERO CCOC(=O)C[C@H](O)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000233988066 344582895 /nfs/dbraw/zinc/58/28/95/344582895.db2.gz JGSZMUGBTAMAHX-GWCFXTLKSA-N 1 0 285.771 2.305 10 0 CEAERO CS[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COCc2ccco2)C1 ZINC000235164490 344589583 /nfs/dbraw/zinc/58/95/83/344589583.db2.gz QOJBDVFYZSDDIR-UMVBOHGHSA-N 1 0 299.436 2.421 10 0 CEAERO [NH3+][C@@H](CF)c1ccc(I)cc1 ZINC000238574264 344607059 /nfs/dbraw/zinc/60/70/59/344607059.db2.gz NVRNYKAZRQWZDP-QMMMGPOBSA-N 1 0 265.069 2.261 10 0 CEAERO C[C@H](NC(=O)[C@H]1CCC[C@H]([NH3+])C1)c1nc(C(C)(C)C)no1 ZINC000262284762 344654443 /nfs/dbraw/zinc/65/44/43/344654443.db2.gz LYYZBFBURVPSSS-DCAQKATOSA-N 1 0 294.399 2.062 10 0 CEAERO CC[C@H]1CN(C(=O)N[C@H](C)C(C)(C)C)CC[N@@H+]1CCOC ZINC000247116500 344619714 /nfs/dbraw/zinc/61/97/14/344619714.db2.gz NQMIFFCTGANSAY-KGLIPLIRSA-N 1 0 299.459 2.173 10 0 CEAERO C[C@@H]1CCC[C@@H](N(C)C(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000251917047 344638104 /nfs/dbraw/zinc/63/81/04/344638104.db2.gz UKHWISLTTAZPBY-MGPQQGTHSA-N 1 0 252.402 2.413 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@H](C)CCc2ccccc2)C1 ZINC000252668394 344641042 /nfs/dbraw/zinc/64/10/42/344641042.db2.gz WETXSGDVPLDADG-WBVHZDCISA-N 1 0 276.424 2.318 10 0 CEAERO [NH3+][C@@H]1CC[C@H](CNc2nc(Br)cs2)C1 ZINC000307275332 344721169 /nfs/dbraw/zinc/72/11/69/344721169.db2.gz QIWPSLYBRZEKFA-NKWVEPMBSA-N 1 0 276.203 2.445 10 0 CEAERO C[C@@H]1CCC[C@@]1([NH3+])c1ncc(Br)cn1 ZINC000307252300 344721209 /nfs/dbraw/zinc/72/12/09/344721209.db2.gz RWYVCAKGTYCMNS-XCBNKYQSSA-N 1 0 256.147 2.213 10 0 CEAERO O[C@@H](c1cscc1Br)[C@@H]1C=CC[NH2+]1 ZINC000307454151 344722803 /nfs/dbraw/zinc/72/28/03/344722803.db2.gz VZWQVCWKLQHEFR-IUCAKERBSA-N 1 0 260.156 2.072 10 0 CEAERO C[NH2+]Cc1cc(Br)ccc1N1CCC1 ZINC000307450034 344722878 /nfs/dbraw/zinc/72/28/78/344722878.db2.gz NTYYTAZXWRNCBT-UHFFFAOYSA-N 1 0 255.159 2.379 10 0 CEAERO [NH3+]CCNc1cc(F)c(Br)cc1F ZINC000307477975 344723140 /nfs/dbraw/zinc/72/31/40/344723140.db2.gz MRYHYZCIVJFSHH-UHFFFAOYSA-N 1 0 251.074 2.098 10 0 CEAERO C[C@H]1C[C@@H](N2CCNC2=O)CC[N@@H+]1Cc1ccccc1 ZINC000306595380 344715366 /nfs/dbraw/zinc/71/53/66/344715366.db2.gz KVEFTJDRGLOBEJ-ZFWWWQNUSA-N 1 0 273.380 2.065 10 0 CEAERO C[C@@H]1[N@H+](Cc2ccccc2)CC[C@]1(O)C1CCOCC1 ZINC000306669061 344716213 /nfs/dbraw/zinc/71/62/13/344716213.db2.gz KULUVTZJWOYXCJ-WMLDXEAASA-N 1 0 275.392 2.439 10 0 CEAERO Brc1cncnc1C[NH2+]C1CCCC1 ZINC000306701606 344716661 /nfs/dbraw/zinc/71/66/61/344716661.db2.gz GSADWLYFKGUSNR-UHFFFAOYSA-N 1 0 256.147 2.271 10 0 CEAERO CC1(C)C[C@@H]([NH3+])CCN(C(=O)NCc2ccccc2)C1 ZINC000306889694 344718366 /nfs/dbraw/zinc/71/83/66/344718366.db2.gz XQQUVMRQXHXCBM-AWEZNQCLSA-N 1 0 275.396 2.346 10 0 CEAERO CC(C)(C)[C@@H](O)C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000324601011 344754190 /nfs/dbraw/zinc/75/41/90/344754190.db2.gz IYRZAGKVZZEHBZ-OLZOCXBDSA-N 1 0 255.402 2.475 10 0 CEAERO CCc1noc(C)c1CN(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000328604407 344755491 /nfs/dbraw/zinc/75/54/91/344755491.db2.gz JOOOLKVODQSZEH-GFCCVEGCSA-N 1 0 263.385 2.262 10 0 CEAERO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1C[C@@H]1CCC[C@H](O)C1 ZINC000380641147 344823394 /nfs/dbraw/zinc/82/33/94/344823394.db2.gz NBKAFFFQZAKSMC-HZSPNIEDSA-N 1 0 283.412 2.344 10 0 CEAERO CCOC(=O)CC[C@H](O)C[NH2+][C@H](C)c1cccs1 ZINC000385697734 344830226 /nfs/dbraw/zinc/83/02/26/344830226.db2.gz PGQMFUOWLOUVBS-MNOVXSKESA-N 1 0 271.382 2.103 10 0 CEAERO CC(C)Cc1nnc(NC(=O)C2CCC([NH3+])CC2)s1 ZINC000388333830 344833674 /nfs/dbraw/zinc/83/36/74/344833674.db2.gz SUTXDKDNQZLSNE-UHFFFAOYSA-N 1 0 282.413 2.193 10 0 CEAERO CCOC(=O)C[C@]1([NH+](C)C)CCO[C@H](C(C)C)C1 ZINC000083855828 178755056 /nfs/dbraw/zinc/75/50/56/178755056.db2.gz WWZJRHCPVFRLBT-JSGCOSHPSA-N 1 0 257.374 2.075 10 0 CEAERO CCc1cc(CC)nc(NCc2ccc(C[NH3+])cc2)n1 ZINC000394311806 344842502 /nfs/dbraw/zinc/84/25/02/344842502.db2.gz CWZYZKXOPCYMCD-UHFFFAOYSA-N 1 0 270.380 2.094 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+][C@H]2CO[C@@H](C)C2)c1C ZINC000402280789 344872363 /nfs/dbraw/zinc/87/23/63/344872363.db2.gz FZROYFMIGJBADW-OUJBWJOFSA-N 1 0 251.374 2.348 10 0 CEAERO CCC[C@H]1CC[C@H]([NH2+]CC)[C@H](Sc2n[nH]c(=O)n2C)C1 ZINC000083967003 178767385 /nfs/dbraw/zinc/76/73/85/178767385.db2.gz DUMWTIDWKGJWSL-SDDRHHMPSA-N 1 0 298.456 2.147 10 0 CEAERO CC[NH2+][C@@H](CC)C[S@@](=O)c1cccc(OC)c1 ZINC000084002955 178769996 /nfs/dbraw/zinc/76/99/96/178769996.db2.gz ILTIIXIIWWYIJL-GTNSWQLSSA-N 1 0 255.383 2.191 10 0 CEAERO CCC[NH2+]CCC[S@@](=O)c1ccc(OC)cc1 ZINC000084002772 178770042 /nfs/dbraw/zinc/77/00/42/178770042.db2.gz SJPXDZJBRGEBGM-KRWDZBQOSA-N 1 0 255.383 2.193 10 0 CEAERO CCOc1ccc([C@H](C)[NH2+]C)cc1C[S@](=O)CCOC ZINC000084035563 178775294 /nfs/dbraw/zinc/77/52/94/178775294.db2.gz UWHSJBXBBKOZHO-YUNKPMOVSA-N 1 0 299.436 2.261 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(OC)c(C[S@](C)=O)c1 ZINC000084046509 178778365 /nfs/dbraw/zinc/77/83/65/178778365.db2.gz BFXRSAQGQFVRLM-DYZYQPBXSA-N 1 0 255.383 2.244 10 0 CEAERO CC[NH2+]CCC1=N[C@H](c2ccc(OC)cc2)N(CC)O1 ZINC000584613733 344965111 /nfs/dbraw/zinc/96/51/11/344965111.db2.gz GPTNTUZETQOTGK-HNNXBMFYSA-N 1 0 277.368 2.359 10 0 CEAERO CC(C)[NH2+][C@H](C)[C@@H](O)c1ccc(O)c2[nH]c(=O)ccc21 ZINC000584621437 344967231 /nfs/dbraw/zinc/96/72/31/344967231.db2.gz OKJIXKXNHUFUHR-RFAUZJTJSA-N 1 0 276.336 2.066 10 0 CEAERO CN1C[C@H]([NH2+]C[C@@H]2CCCc3ccccc32)CCC1=O ZINC000084087084 178784172 /nfs/dbraw/zinc/78/41/72/178784172.db2.gz BBIJGABNELMDCM-LSDHHAIUSA-N 1 0 272.392 2.317 10 0 CEAERO CCC[NH2+][C@H]1c2cc(F)ccc2S(=O)(=O)[C@@H]1CC ZINC000084118965 178796174 /nfs/dbraw/zinc/79/61/74/178796174.db2.gz FSFCWTAAKLYAGK-YPMHNXCESA-N 1 0 271.357 2.432 10 0 CEAERO C[NH2+]CCCc1nnc(CCC(F)(F)F)s1 ZINC000084125022 178798557 /nfs/dbraw/zinc/79/85/57/178798557.db2.gz YGUQYXSZICDKAV-UHFFFAOYSA-N 1 0 253.293 2.185 10 0 CEAERO Cc1ccc(F)c(NC(=O)C[C@H]2CCC[NH2+]C2)c1 ZINC000054290618 362521450 /nfs/dbraw/zinc/52/14/50/362521450.db2.gz YYBSPBISTXIRBZ-LLVKDONJSA-N 1 0 250.317 2.462 10 0 CEAERO CCN(Cc1ccccc1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054290644 362521946 /nfs/dbraw/zinc/52/19/46/362521946.db2.gz CQNRKGQFOUKDSW-OAHLLOKOSA-N 1 0 260.381 2.425 10 0 CEAERO Cc1cc([C@H]2CCCN2C(=O)CC2([NH3+])CCCC2)on1 ZINC000084182291 178816999 /nfs/dbraw/zinc/81/69/99/178816999.db2.gz IUZNLKFCKPEPJZ-GFCCVEGCSA-N 1 0 277.368 2.308 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)N1CC[C@@H](c2ccccc2)C1 ZINC000054292720 362523018 /nfs/dbraw/zinc/52/30/18/362523018.db2.gz COKXTWHUEQUJTR-GOEBONIOSA-N 1 0 272.392 2.392 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1Nc1ncc(Br)cn1 ZINC000084213408 178826593 /nfs/dbraw/zinc/82/65/93/178826593.db2.gz TUARYGGGBFMKEA-WPRPVWTQSA-N 1 0 285.189 2.169 10 0 CEAERO CCc1nn(CC)c(C[C@@H]([NH3+])CSC)c1Cl ZINC000084299001 178849163 /nfs/dbraw/zinc/84/91/63/178849163.db2.gz PSYDPQWTYCVCJK-MRVPVSSYSA-N 1 0 261.822 2.352 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc2cc[nH]c2c1 ZINC000229583352 539471966 /nfs/dbraw/zinc/47/19/66/539471966.db2.gz GKBYAWJKNMLCSA-GXFFZTMASA-N 1 0 257.337 2.038 10 0 CEAERO C[NH2+][C@H]1CC[C@@H](S(=O)(=O)Cc2ccccc2C)C1 ZINC000084433934 178887526 /nfs/dbraw/zinc/88/75/26/178887526.db2.gz DBAUUIMFAVNNBI-UONOGXRCSA-N 1 0 267.394 2.050 10 0 CEAERO CC[NH2+][C@@H]1CC[C@H](S(=O)(=O)c2ccc(C)cc2)C1 ZINC000084433045 178887208 /nfs/dbraw/zinc/88/72/08/178887208.db2.gz JJDKYTPZABCPIX-OCCSQVGLSA-N 1 0 267.394 2.299 10 0 CEAERO CC(C)CO[C@@H]1C[C@H]([NH2+]Cc2cn[nH]c2)C1(C)C ZINC000084461252 178890621 /nfs/dbraw/zinc/89/06/21/178890621.db2.gz CDDJJCOIFMFLMB-QWHCGFSZSA-N 1 0 251.374 2.339 10 0 CEAERO CC[NH2+][C@H](c1cc(CC)nn1CC)[C@H]1CCOC1 ZINC000097181654 185557174 /nfs/dbraw/zinc/55/71/74/185557174.db2.gz ROPAFAUAKGAXCK-FZMZJTMJSA-N 1 0 251.374 2.153 10 0 CEAERO CC[NH2+][C@H](c1cccc2c1OCCO2)[C@@H]1CCOC1 ZINC000097181644 185557900 /nfs/dbraw/zinc/55/79/00/185557900.db2.gz CPRQYYQEZMLJEZ-RISCZKNCSA-N 1 0 263.337 2.145 10 0 CEAERO C[NH2+][C@@H]1C[C@H](C)C[C@@H](C)[C@@H]1S(=O)(=O)C1CCCC1 ZINC000084472364 178894141 /nfs/dbraw/zinc/89/41/41/178894141.db2.gz NECBUPVKDVLCDJ-OXHZDVMGSA-N 1 0 273.442 2.366 10 0 CEAERO Cc1nc(-c2ccc(F)cc2)nc(N2CC[NH2+]CC2)c1C ZINC000058047323 362605983 /nfs/dbraw/zinc/60/59/83/362605983.db2.gz UCFXYIXZQKYMQB-UHFFFAOYSA-N 1 0 286.354 2.309 10 0 CEAERO Cc1ccc(CC(=O)N2CCC[C@@H]2CCC[NH3+])cc1 ZINC000084622946 178905796 /nfs/dbraw/zinc/90/57/96/178905796.db2.gz SVBKUUYZIALMCF-HNNXBMFYSA-N 1 0 260.381 2.267 10 0 CEAERO [NH3+]CCC[C@H]1CCCN1C(=O)Cc1cccc(F)c1 ZINC000084639042 178907752 /nfs/dbraw/zinc/90/77/52/178907752.db2.gz SMSOSLMSNBIYFW-AWEZNQCLSA-N 1 0 264.344 2.098 10 0 CEAERO C[NH2+][C@@H](C[C@@H]1CCS(=O)(=O)C1)C1CCC(C)CC1 ZINC000097222266 185568220 /nfs/dbraw/zinc/56/82/20/185568220.db2.gz IDNQQRHTSKNQJI-YIOUJQMASA-N 1 0 273.442 2.226 10 0 CEAERO COc1ncccc1[C@@H]([NH3+])Cc1ccncc1Cl ZINC000097239848 185572128 /nfs/dbraw/zinc/57/21/28/185572128.db2.gz KANLNOUMYZDRAC-LBPRGKRZSA-N 1 0 263.728 2.381 10 0 CEAERO COCC[NH2+]C[C@](C)(O)Cc1c(F)cccc1Cl ZINC000097241221 185572387 /nfs/dbraw/zinc/57/23/87/185572387.db2.gz ZRQUHVNWYADOQC-CYBMUJFWSA-N 1 0 275.751 2.009 10 0 CEAERO Cn1c(C[C@@H]([NH3+])[C@@H]2CCSC2)nc2ccccc21 ZINC000097303459 185580937 /nfs/dbraw/zinc/58/09/37/185580937.db2.gz FOCMVTQMQMURCJ-GHMZBOCLSA-N 1 0 261.394 2.196 10 0 CEAERO C[NH2+][C@@H](Cc1ncnn1C)[C@H](C)Oc1cccc(Cl)c1 ZINC000097275246 185575592 /nfs/dbraw/zinc/57/55/92/185575592.db2.gz OZCPRHYXEAPYSX-GWCFXTLKSA-N 1 0 294.786 2.067 10 0 CEAERO C[NH2+][C@@H](Cc1ncnn1C)[C@@H](C)Oc1cccc(Cl)c1 ZINC000097275247 185575943 /nfs/dbraw/zinc/57/59/43/185575943.db2.gz OZCPRHYXEAPYSX-MFKMUULPSA-N 1 0 294.786 2.067 10 0 CEAERO CCCOCC[C@H](Cc1ncnn1C(C)C)[NH2+]CC ZINC000097277463 185576382 /nfs/dbraw/zinc/57/63/82/185576382.db2.gz URNPGPIGVWEINF-CYBMUJFWSA-N 1 0 268.405 2.196 10 0 CEAERO CC[NH2+][C@H](Cc1cc(CC)nn1C)C[C@@H](C)COC ZINC000097276859 185577105 /nfs/dbraw/zinc/57/71/05/185577105.db2.gz AOFMTABDHQXPIL-OCCSQVGLSA-N 1 0 267.417 2.176 10 0 CEAERO CC(C)Cn1ncnc1C[C@@H]([NH3+])[C@@]1(C)CCCS1 ZINC000097278343 185577618 /nfs/dbraw/zinc/57/76/18/185577618.db2.gz QMGHXDBFMHRGAR-DGCLKSJQSA-N 1 0 268.430 2.090 10 0 CEAERO CCCn1ccnc1C[C@H]([NH2+]C)[C@H]1CCSC1 ZINC000097311337 185584080 /nfs/dbraw/zinc/58/40/80/185584080.db2.gz BONJGEKTUOAUNB-RYUDHWBXSA-N 1 0 253.415 2.177 10 0 CEAERO CCc1nnsc1[C@H]([NH3+])[C@H]1CCc2cccnc21 ZINC000097305050 185582693 /nfs/dbraw/zinc/58/26/93/185582693.db2.gz UETVYCSSHUGZMN-MWLCHTKSSA-N 1 0 260.366 2.225 10 0 CEAERO C[NH2+][C@@H](C[C@H]1CCS(=O)(=O)C1)C1CCCCCC1 ZINC000097383490 185595473 /nfs/dbraw/zinc/59/54/73/185595473.db2.gz RFBFSNRNOFUJCK-OCCSQVGLSA-N 1 0 273.442 2.370 10 0 CEAERO C[NH2+][C@H](COC(C)(C)C)Cc1c(C)nn(C)c1Cl ZINC000097391727 185597127 /nfs/dbraw/zinc/59/71/27/185597127.db2.gz SZXUCGKSWNGRFT-JTQLQIEISA-N 1 0 273.808 2.328 10 0 CEAERO COC(=O)C[C@](C)(c1ccccc1OC)C(C)(C)[NH3+] ZINC000097433914 185603012 /nfs/dbraw/zinc/60/30/12/185603012.db2.gz REAMAAXEWVVBMS-OAHLLOKOSA-N 1 0 265.353 2.253 10 0 CEAERO CCC[NH2+][C@H](CCOCC)CCc1nccn1C ZINC000097451758 185607972 /nfs/dbraw/zinc/60/79/72/185607972.db2.gz ZMQLTXXVAAFSEZ-ZDUSSCGKSA-N 1 0 253.390 2.148 10 0 CEAERO CC(C)C[NH2+]CCN(C)Cc1ccn(C(C)C)n1 ZINC000085166798 178960775 /nfs/dbraw/zinc/96/07/75/178960775.db2.gz QRMMCOWSUHOVLD-UHFFFAOYSA-N 1 0 252.406 2.141 10 0 CEAERO CC[C@@H]1CN(c2nccc(C(F)(F)F)n2)[C@@H](CC)C[NH2+]1 ZINC000086466141 136512579 /nfs/dbraw/zinc/51/25/79/136512579.db2.gz GJTIRBONTNMZPI-ZJUUUORDSA-N 1 0 288.317 2.462 10 0 CEAERO CCN(CC[C@@](C)(CO)[NH2+]C)c1cccc(F)c1 ZINC000085241996 178984256 /nfs/dbraw/zinc/98/42/56/178984256.db2.gz SDSSHUPGYWRBEM-AWEZNQCLSA-N 1 0 254.349 2.013 10 0 CEAERO CCC[NH2+][C@](C)(CO)CN1c2ccccc2C[C@@H]1C ZINC000085215738 178979489 /nfs/dbraw/zinc/97/94/89/178979489.db2.gz VJPMLYUYVICQCQ-BBRMVZONSA-N 1 0 262.397 2.188 10 0 CEAERO CC[NH2+][C@](C)(CO)C[C@@H](C)N(CC)CC(F)(F)F ZINC000085241580 178981428 /nfs/dbraw/zinc/98/14/28/178981428.db2.gz IJIJNSMBQIGNOD-MNOVXSKESA-N 1 0 270.339 2.010 10 0 CEAERO CC[C@@H]([NH3+])CSCC(=O)N(CC)C1=CCCC1 ZINC000097546900 185626264 /nfs/dbraw/zinc/62/62/64/185626264.db2.gz JUKAZGCMRHYPKA-LLVKDONJSA-N 1 0 256.415 2.373 10 0 CEAERO CC[NH+](CC)C1([C@@H](Cc2cncs2)NN)CCCC1 ZINC000097587945 185634049 /nfs/dbraw/zinc/63/40/49/185634049.db2.gz KXKSBXVNDUSKTE-CYBMUJFWSA-N 1 0 282.457 2.172 10 0 CEAERO C[NH+](C)C1([C@H](NN)C2=COCCC2)CCCCCC1 ZINC000097591122 185634367 /nfs/dbraw/zinc/63/43/67/185634367.db2.gz QWOJZTGVRGSNLR-CQSZACIVSA-N 1 0 267.417 2.167 10 0 CEAERO CCc1ccc(C[C@@H](CC[NH+](CC)CC)NN)cc1 ZINC000097591629 185634231 /nfs/dbraw/zinc/63/42/31/185634231.db2.gz JFWGKZXXHJJJCS-MRXNPFEDSA-N 1 0 263.429 2.355 10 0 CEAERO CC[C@](C)([C@@H](NN)[C@@H]1CCOC2(CCC2)C1)[NH+]1CCCC1 ZINC000097584988 185631416 /nfs/dbraw/zinc/63/14/16/185631416.db2.gz XNKPXTLRZRFTPX-OWCLPIDISA-N 1 0 295.471 2.432 10 0 CEAERO CCCCN(CC[C@@](C)([NH3+])CO)c1ccccc1 ZINC000085261833 178990806 /nfs/dbraw/zinc/99/08/06/178990806.db2.gz RAYMWZLLHVJFOX-OAHLLOKOSA-N 1 0 250.386 2.393 10 0 CEAERO NN[C@H](c1cncc(F)c1)C1([NH+]2CCCC2)CCCC1 ZINC000097588458 185633893 /nfs/dbraw/zinc/63/38/93/185633893.db2.gz MKEVKRLMLZOQMP-CQSZACIVSA-N 1 0 278.375 2.134 10 0 CEAERO CCc1ccc(OC[C@@H]([NH3+])CO)c(C(C)(C)C)c1 ZINC000085282883 179000658 /nfs/dbraw/zinc/00/06/58/179000658.db2.gz ZPWNHHIKDYZNPB-LBPRGKRZSA-N 1 0 251.370 2.245 10 0 CEAERO CCC[NH2+][C@@H](CO)COc1ccccc1C(F)(F)F ZINC000085282948 179000836 /nfs/dbraw/zinc/00/08/36/179000836.db2.gz HUYZQENEHIFRTI-JTQLQIEISA-N 1 0 277.286 2.445 10 0 CEAERO CCC[NH2+][C@](CO)(COc1ccc(F)cc1)C1CC1 ZINC000085285073 179002772 /nfs/dbraw/zinc/00/27/72/179002772.db2.gz JKIGUXRCRYSMDH-OAHLLOKOSA-N 1 0 267.344 2.345 10 0 CEAERO C[NH2+][C@](C)(CO)CCCOc1ccc(C)cc1C ZINC000085283479 179001503 /nfs/dbraw/zinc/00/15/03/179001503.db2.gz KQDNCXMCSWDBRH-HNNXBMFYSA-N 1 0 251.370 2.433 10 0 CEAERO CCC[NH2+][C@@](CO)(COc1ccccc1F)C1CC1 ZINC000085284371 179001919 /nfs/dbraw/zinc/00/19/19/179001919.db2.gz YOWGKMKEUXOQQO-HNNXBMFYSA-N 1 0 267.344 2.345 10 0 CEAERO CC[NH2+][C@@H](CO)COc1ccc(C(C)C)c(C)c1 ZINC000085284250 179002166 /nfs/dbraw/zinc/00/21/66/179002166.db2.gz OYBBSLULGTYPFZ-ZDUSSCGKSA-N 1 0 251.370 2.468 10 0 CEAERO CCC[NH2+][C@](C)(CO)CCCOC[C@@H]1CCCCO1 ZINC000085269933 178997889 /nfs/dbraw/zinc/99/78/89/178997889.db2.gz YVJDNTVLOKOQFV-GJZGRUSLSA-N 1 0 273.417 2.103 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)CCCOC[C@@H]1CCCCO1 ZINC000085269885 178998099 /nfs/dbraw/zinc/99/80/99/178998099.db2.gz KCUQOKQRIVCLPK-LSDHHAIUSA-N 1 0 273.417 2.101 10 0 CEAERO CCCOc1ccc(OC[C@](C)(CO)[NH2+]CC)cc1 ZINC000085286179 179003845 /nfs/dbraw/zinc/00/38/45/179003845.db2.gz BKFAKDUCEFJLAZ-HNNXBMFYSA-N 1 0 267.369 2.215 10 0 CEAERO CC[C@@H]1CCC[C@@H](OC[C@@](C)(CO)[NH2+]C2CC2)C1 ZINC000085287341 179004714 /nfs/dbraw/zinc/00/47/14/179004714.db2.gz BDZYIYYNVVYJTA-BPLDGKMQSA-N 1 0 255.402 2.475 10 0 CEAERO C[C@H]1CC(OCC[C@@H](CO)[NH2+]C2CC2)C[C@@H](C)C1 ZINC000085287569 179004805 /nfs/dbraw/zinc/00/48/05/179004805.db2.gz ZCWHJWAOVBVSMF-PEZGSVAQSA-N 1 0 255.402 2.331 10 0 CEAERO COCCCS[C@@H](C)C[C@](C)(CO)[NH2+]C1CC1 ZINC000085290018 179005698 /nfs/dbraw/zinc/00/56/98/179005698.db2.gz OETCPMCRHKXTAF-WCQYABFASA-N 1 0 261.431 2.038 10 0 CEAERO CC[NH2+][C@](C)(CO)C[C@@H](C)SC1CCOCC1 ZINC000085290205 179006850 /nfs/dbraw/zinc/00/68/50/179006850.db2.gz VWTTXRAXRNTMIY-YPMHNXCESA-N 1 0 261.431 2.038 10 0 CEAERO C[C@]([NH3+])(CO)CCSc1nc2ccccc2o1 ZINC000085292413 179007884 /nfs/dbraw/zinc/00/78/84/179007884.db2.gz FATZSSGGKAGAIW-GFCCVEGCSA-N 1 0 252.339 2.020 10 0 CEAERO C[C@@H](C[C@@](C)([NH3+])CO)Sc1nc2ccccc2o1 ZINC000085292367 179007966 /nfs/dbraw/zinc/00/79/66/179007966.db2.gz YIQFTKYUZYJNED-TVQRCGJNSA-N 1 0 266.366 2.408 10 0 CEAERO [NH3+][C@@](CO)(CSc1cc(F)ccc1F)C1CC1 ZINC000085293076 179008324 /nfs/dbraw/zinc/00/83/24/179008324.db2.gz LCYAZTUPRMCGKB-LBPRGKRZSA-N 1 0 259.321 2.157 10 0 CEAERO C[NH2+][C@](CO)(CSc1ccccc1C)C1CC1 ZINC000085297066 179008342 /nfs/dbraw/zinc/00/83/42/179008342.db2.gz WARDIRIHKKZNKC-CQSZACIVSA-N 1 0 251.395 2.448 10 0 CEAERO C[C@]([NH3+])(CO)CCSc1nc2ccccc2s1 ZINC000085298756 179009061 /nfs/dbraw/zinc/00/90/61/179009061.db2.gz KKSYEYXZCJTISQ-GFCCVEGCSA-N 1 0 268.407 2.488 10 0 CEAERO C[C@](O)(C[NH3+])CCCCOc1cc(F)cc(F)c1 ZINC000085304988 179011764 /nfs/dbraw/zinc/01/17/64/179011764.db2.gz XCIXEKKRGIXIJT-CYBMUJFWSA-N 1 0 259.296 2.224 10 0 CEAERO C[C@@H](C[NH3+])SCC(=O)Nc1cccc(Cl)c1 ZINC000085305671 179011795 /nfs/dbraw/zinc/01/17/95/179011795.db2.gz KXDZZTJGNUHWSJ-QMMMGPOBSA-N 1 0 258.774 2.359 10 0 CEAERO C[C@H]1CCCC[C@H]1OC[C@@](O)(C[NH3+])c1ccccc1 ZINC000085305987 179012165 /nfs/dbraw/zinc/01/21/65/179012165.db2.gz HVWWHIDRGQCUOR-IMJJTQAJSA-N 1 0 263.381 2.428 10 0 CEAERO C[C@](O)(C[NH3+])CCCOCCCc1ccccc1 ZINC000085305227 179012214 /nfs/dbraw/zinc/01/22/14/179012214.db2.gz QCVLOVLVMRRESQ-OAHLLOKOSA-N 1 0 251.370 2.126 10 0 CEAERO C[C@H](C[NH3+])SCC(=O)Nc1cccc(Cl)c1 ZINC000085305674 179012233 /nfs/dbraw/zinc/01/22/33/179012233.db2.gz KXDZZTJGNUHWSJ-MRVPVSSYSA-N 1 0 258.774 2.359 10 0 CEAERO CCCOc1ccccc1O[C@H](C)C[C@](C)(O)C[NH3+] ZINC000085306137 179012891 /nfs/dbraw/zinc/01/28/91/179012891.db2.gz DAGWBSNWHZAQQT-DOMZBBRYSA-N 1 0 267.369 2.343 10 0 CEAERO Cc1nn(C)c(CSCC[C@@H](C)[NH3+])c1Br ZINC000085316951 179014091 /nfs/dbraw/zinc/01/40/91/179014091.db2.gz ODFJXEPWRHQWMO-SSDOTTSWSA-N 1 0 292.246 2.462 10 0 CEAERO C[C@@H]([NH3+])CSCC(=O)Nc1ccccc1Cl ZINC000085313659 179014131 /nfs/dbraw/zinc/01/41/31/179014131.db2.gz JQTSMMMWJOIGSN-MRVPVSSYSA-N 1 0 258.774 2.359 10 0 CEAERO COc1cccc(CN2CCCC[C@H]2C[NH3+])c1F ZINC000084946814 539535031 /nfs/dbraw/zinc/53/50/31/539535031.db2.gz VGADNGVOZWGSSZ-LBPRGKRZSA-N 1 0 252.333 2.148 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1CCCC[C@@H]1[NH3+])c1ccc2c(c1)OCO2 ZINC000085361477 179032867 /nfs/dbraw/zinc/03/28/67/179032867.db2.gz VHWHYSSAFUXVFI-RTXFEEFZSA-N 1 0 290.363 2.110 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1cccnc1Cl ZINC000085361526 179033382 /nfs/dbraw/zinc/03/33/82/179033382.db2.gz BYALBLUULCTBRE-IUCAKERBSA-N 1 0 253.733 2.191 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)Nc1ccccc1-n1cccn1 ZINC000085362166 179033405 /nfs/dbraw/zinc/03/34/05/179033405.db2.gz HPFCHDBBNAGORN-QWHCGFSZSA-N 1 0 284.363 2.328 10 0 CEAERO CC(=O)Nc1ccc(NC(=O)[C@H]2CCC[C@H]2[NH3+])cc1Cl ZINC000085361548 179033484 /nfs/dbraw/zinc/03/34/84/179033484.db2.gz KPQUTHIXRLAELQ-CMPLNLGQSA-N 1 0 295.770 2.364 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1cccc(OC(F)F)c1 ZINC000085362025 179033613 /nfs/dbraw/zinc/03/36/13/179033613.db2.gz XIHHTDUGSWOOQH-GHMZBOCLSA-N 1 0 270.279 2.354 10 0 CEAERO Cc1ccc(-c2nnco2)cc1NC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085362063 179033678 /nfs/dbraw/zinc/03/36/78/179033678.db2.gz LWJOLMLVVMEDGI-RYUDHWBXSA-N 1 0 286.335 2.111 10 0 CEAERO CCOc1ccc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])cc1OC ZINC000085362650 179034294 /nfs/dbraw/zinc/03/42/94/179034294.db2.gz IEAUCPIGPRDQSN-RYUDHWBXSA-N 1 0 278.352 2.160 10 0 CEAERO CC(=O)Nc1nc(CS[C@@H](C)CC[NH3+])cs1 ZINC000085346129 179028957 /nfs/dbraw/zinc/02/89/57/179028957.db2.gz OWQVSCMYOFZMLX-ZETCQYMHSA-N 1 0 259.400 2.072 10 0 CEAERO COc1cc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])c(OC)cc1Cl ZINC000085355676 179030092 /nfs/dbraw/zinc/03/00/92/179030092.db2.gz NCOHZACPBGAPNX-WPRPVWTQSA-N 1 0 298.770 2.423 10 0 CEAERO CN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085367993 179037729 /nfs/dbraw/zinc/03/77/29/179037729.db2.gz BVOGQAXZOBLAEP-GXFFZTMASA-N 1 0 268.307 2.051 10 0 CEAERO CC(C)N(Cc1ccccn1)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085368841 179038455 /nfs/dbraw/zinc/03/84/55/179038455.db2.gz AXBWEACENCZBKG-LSDHHAIUSA-N 1 0 275.396 2.336 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)NCc1nc2ccccc2s1 ZINC000085370853 179041113 /nfs/dbraw/zinc/04/11/13/179041113.db2.gz PYYBSSIPMLIOFN-QWRGUYRKSA-N 1 0 289.404 2.430 10 0 CEAERO CCN(CCCNC(=O)[C@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000085371349 179041326 /nfs/dbraw/zinc/04/13/26/179041326.db2.gz XLOMQJCMRJLULC-HOTGVXAUSA-N 1 0 289.423 2.147 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)N1CCC2(CCCC2)CC1 ZINC000085375065 179043662 /nfs/dbraw/zinc/04/36/62/179043662.db2.gz DBCPPNPVPNKOEV-STQMWFEESA-N 1 0 250.386 2.297 10 0 CEAERO CC[C@@H](NC(=O)[C@H]1CCCC[C@@H]1[NH3+])c1nccs1 ZINC000085376276 179044555 /nfs/dbraw/zinc/04/45/55/179044555.db2.gz BKDWGPZOFJWKMZ-GARJFASQSA-N 1 0 267.398 2.228 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1ccc2nccnc2c1 ZINC000085365622 179036454 /nfs/dbraw/zinc/03/64/54/179036454.db2.gz STZIUYLHCMHCOA-NEPJUHHUSA-N 1 0 270.336 2.086 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1CC[NH2+]C1)c1ccc(Cl)s1 ZINC000062113600 362707332 /nfs/dbraw/zinc/70/73/32/362707332.db2.gz MRRPTMHWWYKBAN-HTQZYQBOSA-N 1 0 258.774 2.188 10 0 CEAERO CC(C)CO[C@H]1C[C@H]([NH2+]C[C@@H](C)N(C)C)C1(C)C ZINC000085400913 179052038 /nfs/dbraw/zinc/05/20/38/179052038.db2.gz LANUKEKUNJTXAB-RDBSUJKOSA-N 1 0 256.434 2.366 10 0 CEAERO Cc1ccccc1N(CCC[NH3+])S(=O)(=O)C1CCCC1 ZINC000097834574 185672281 /nfs/dbraw/zinc/67/22/81/185672281.db2.gz ALHIAWZWBZYZBO-UHFFFAOYSA-N 1 0 296.436 2.423 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+][C@@H](C)CN2CCCC2)C1(C)C ZINC000085397838 179050102 /nfs/dbraw/zinc/05/01/02/179050102.db2.gz OWKCHZROBPVBSW-MJBXVCDLSA-N 1 0 254.418 2.264 10 0 CEAERO COc1ccccc1CN1CC[NH2+][C@@](C)(C2CC2)C1 ZINC000085435598 179062132 /nfs/dbraw/zinc/06/21/32/179062132.db2.gz IVCFLOJCHDOLRK-MRXNPFEDSA-N 1 0 260.381 2.269 10 0 CEAERO CC(C)[C@@H]1CN([C@@H]2CCOC2)C2(CCCC2)C[NH2+]1 ZINC000085468376 179073309 /nfs/dbraw/zinc/07/33/09/179073309.db2.gz WTCMSBHGPPJIRS-KGLIPLIRSA-N 1 0 252.402 2.018 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1CCOCC(F)(F)F ZINC000085450493 179065245 /nfs/dbraw/zinc/06/52/45/179065245.db2.gz BYFGAIBUQYINAF-VXGBXAGGSA-N 1 0 282.350 2.274 10 0 CEAERO CC[C@@]1(C)CN[C@H](C)C[N@@H+]1[C@@H]1CCC[C@H](OC)C1 ZINC000085454195 179067126 /nfs/dbraw/zinc/06/71/26/179067126.db2.gz ZKNOIFOPHHGEKX-KBXIAJHMSA-N 1 0 254.418 2.406 10 0 CEAERO CC(C)C[C@@H]1CNCC[N@@H+]1CCCOCC(F)(F)F ZINC000085453074 179067405 /nfs/dbraw/zinc/06/74/05/179067405.db2.gz IKINNEZEDGRQFJ-GFCCVEGCSA-N 1 0 282.350 2.275 10 0 CEAERO C[C@@H]1C[N@H+](CC2CCOCC2)C2(CCCCC2)CN1 ZINC000085454506 179068127 /nfs/dbraw/zinc/06/81/27/179068127.db2.gz LZKITHKAKRGPHF-CQSZACIVSA-N 1 0 266.429 2.410 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC(C)C)CN1Cc1ncccn1 ZINC000085487278 179080893 /nfs/dbraw/zinc/08/08/93/179080893.db2.gz TWPYAWHQQOQTCN-UONOGXRCSA-N 1 0 262.401 2.075 10 0 CEAERO CC[C@H](C)[C@@H]1CN([C@@H]2CCOC2)[C@H](C(C)C)C[NH2+]1 ZINC000085491515 179081133 /nfs/dbraw/zinc/08/11/33/179081133.db2.gz RDCBBGARAXVZNU-XGUBFFRZSA-N 1 0 254.418 2.120 10 0 CEAERO CC[C@H](C)[C@@H]1CN(Cc2cnn(C)c2)C(C)(C)C[NH2+]1 ZINC000085493139 179081857 /nfs/dbraw/zinc/08/18/57/179081857.db2.gz FLRRWCZWIJJNSS-JSGCOSHPSA-N 1 0 264.417 2.019 10 0 CEAERO CC1(C)CN(CCC(F)(F)F)[C@H](C2CC2)C[NH2+]1 ZINC000085470611 179076081 /nfs/dbraw/zinc/07/60/81/179076081.db2.gz MTGKXPPKPUIXAV-JTQLQIEISA-N 1 0 250.308 2.401 10 0 CEAERO CC1(C)CN(CCC(F)(F)F)[C@@H](C2CC2)C[NH2+]1 ZINC000085470613 179076475 /nfs/dbraw/zinc/07/64/75/179076475.db2.gz MTGKXPPKPUIXAV-SNVBAGLBSA-N 1 0 250.308 2.401 10 0 CEAERO CCC1(CC)CNC(C)(C)C[N@@H+]1C[C@H]1CCCO1 ZINC000085471362 179076481 /nfs/dbraw/zinc/07/64/81/179076481.db2.gz KHQZKKIJLQHITO-CYBMUJFWSA-N 1 0 254.418 2.408 10 0 CEAERO CC(C)C[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1cnn(C)c1 ZINC000085513460 179086566 /nfs/dbraw/zinc/08/65/66/179086566.db2.gz YEVMMONIRDEQFR-IAGOWNOFSA-N 1 0 290.455 2.409 10 0 CEAERO C[C@@]1(C2CC2)C[NH2+][C@@](C)(C2CC2)CN1CC(F)F ZINC000085516103 179087428 /nfs/dbraw/zinc/08/74/28/179087428.db2.gz ODHPEMXMCNQXTM-KGLIPLIRSA-N 1 0 258.356 2.494 10 0 CEAERO [NH3+]C1CC(Oc2ccc(F)cc2Br)C1 ZINC000085520377 179087652 /nfs/dbraw/zinc/08/76/52/179087652.db2.gz GVOMFUSREKVLBR-UHFFFAOYSA-N 1 0 260.106 2.457 10 0 CEAERO CC(C)[C@H]1CN[C@H](C2CC2)C[N@@H+]1C[C@@H]1CCCCO1 ZINC000085524411 179088336 /nfs/dbraw/zinc/08/83/36/179088336.db2.gz NIVLTTGRVACFNW-HRCADAONSA-N 1 0 266.429 2.264 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C2CC2)CN1C[C@@H]1CCCCO1 ZINC000085522631 179088415 /nfs/dbraw/zinc/08/84/15/179088415.db2.gz IGTXYZYCTIZQRB-QLFBSQMISA-N 1 0 252.402 2.018 10 0 CEAERO CC[C@H](C)[C@@H]1C[N@H+](C[C@@H]2CCOC2)[C@H](C2CC2)CN1 ZINC000085492250 179082443 /nfs/dbraw/zinc/08/24/43/179082443.db2.gz CGOFXWBVVZCHBZ-SDADXPQNSA-N 1 0 266.429 2.121 10 0 CEAERO COCC[N@@H+]1CC2(CCCC2)NC[C@@]1(C)C1CC1 ZINC000085498781 179083066 /nfs/dbraw/zinc/08/30/66/179083066.db2.gz GFMSFHJNMLURKF-AWEZNQCLSA-N 1 0 252.402 2.020 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C2CC2)CN1Cc1ccn(C(C)C)n1 ZINC000085522757 179088579 /nfs/dbraw/zinc/08/85/79/179088579.db2.gz SQOLGAZZGWYULF-HZPDHXFCSA-N 1 0 276.428 2.426 10 0 CEAERO CCCc1nc2c(n1CCOC1CCCC1)CC[NH2+]C2 ZINC000085571710 179097709 /nfs/dbraw/zinc/09/77/09/179097709.db2.gz WOZWSHXLEWLZHK-UHFFFAOYSA-N 1 0 277.412 2.441 10 0 CEAERO COCCC[N@@H+]1C[C@H](C2CC2)NC[C@@H]1C(C)(C)C ZINC000085526627 179089919 /nfs/dbraw/zinc/08/99/19/179089919.db2.gz LTTVHRKTKUMKCU-ZIAGYGMSSA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@@H](C2CC2)CN1CCOCC(F)(F)F ZINC000085528268 179090545 /nfs/dbraw/zinc/09/05/45/179090545.db2.gz KUJJXLAUHKKTJZ-OLZOCXBDSA-N 1 0 294.361 2.418 10 0 CEAERO C([C@@H]1CCOC1)[N@@H+]1C[C@H](C2CC2)NCC12CCCCC2 ZINC000085529299 179090832 /nfs/dbraw/zinc/09/08/32/179090832.db2.gz AVEKUVZZOBNIMA-GOEBONIOSA-N 1 0 278.440 2.410 10 0 CEAERO CC[C@]1(C)C[NH2+][C@@H](C2CC2)CN1C[C@@H]1CCCO1 ZINC000085528401 179091224 /nfs/dbraw/zinc/09/12/24/179091224.db2.gz ISLVNFJKIQESCE-RRFJBIMHSA-N 1 0 252.402 2.018 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C2CCCCC2)CN1[C@@H]1CCOC1 ZINC000085529885 179091841 /nfs/dbraw/zinc/09/18/41/179091841.db2.gz AWFJBYLPGPUZNC-XHSDSOJGSA-N 1 0 266.429 2.408 10 0 CEAERO CO[C@@H]1CCC[C@@H]1n1c(CC(C)C)nc2c1CC[NH2+]C2 ZINC000085570797 179096520 /nfs/dbraw/zinc/09/65/20/179096520.db2.gz BFPVJCVUYXDJOH-LSDHHAIUSA-N 1 0 277.412 2.467 10 0 CEAERO Cc1nc2c(n1[C@H]1CCOc3ccccc31)CC[NH2+]C2 ZINC000085571149 179097190 /nfs/dbraw/zinc/09/71/90/179097190.db2.gz BNGDGVRUCOCRGK-AWEZNQCLSA-N 1 0 269.348 2.209 10 0 CEAERO CC(C)Cc1nc2c(n1[C@@H]1CCCOC1)CC[NH2+]C2 ZINC000085571725 179097451 /nfs/dbraw/zinc/09/74/51/179097451.db2.gz DKRFGVKGGGUMFG-GFCCVEGCSA-N 1 0 263.385 2.079 10 0 CEAERO C[C@H]1CN(Cc2cccc3cccnc32)CCC[NH2+]1 ZINC000085610037 179101024 /nfs/dbraw/zinc/10/10/24/179101024.db2.gz RVCMQLKAKKXQNR-ZDUSSCGKSA-N 1 0 255.365 2.419 10 0 CEAERO COc1c(C)cnc(CN2CCC[NH2+]C(C)(C)C2)c1C ZINC000085611558 179102359 /nfs/dbraw/zinc/10/23/59/179102359.db2.gz ROGTVQUAZDWTMQ-UHFFFAOYSA-N 1 0 277.412 2.281 10 0 CEAERO COc1cccc(CN2CCC[NH2+][C@@](C)(C3CC3)C2)n1 ZINC000085613100 179103445 /nfs/dbraw/zinc/10/34/45/179103445.db2.gz SZTVCJJEGGODDX-MRXNPFEDSA-N 1 0 275.396 2.054 10 0 CEAERO C[C@@H]1CCN[C@@H](c2ccccc2)C[N@@H+]1CCn1cccn1 ZINC000085621439 179105390 /nfs/dbraw/zinc/10/53/90/179105390.db2.gz UZXYHANZNSAEDS-NVXWUHKLSA-N 1 0 284.407 2.308 10 0 CEAERO C[C@H]1CC[NH2+][C@@H](C2CC2)CN1CCOCC(F)(F)F ZINC000085626280 179106482 /nfs/dbraw/zinc/10/64/82/179106482.db2.gz OVFZBXPXQRQYQS-CMPLNLGQSA-N 1 0 280.334 2.028 10 0 CEAERO COCC[NH2+]CCc1cc(Cl)c2c(c1)OCCCO2 ZINC000085697078 179115853 /nfs/dbraw/zinc/11/58/53/179115853.db2.gz VCGKNCPYCRETRP-UHFFFAOYSA-N 1 0 285.771 2.280 10 0 CEAERO CCc1nn(C)c(C[C@@]2(C)CCC[NH2+]2)c1Br ZINC000085697914 179116066 /nfs/dbraw/zinc/11/60/66/179116066.db2.gz NGXCVFYVIPNXAP-GFCCVEGCSA-N 1 0 286.217 2.430 10 0 CEAERO Cc1nn(C)c(C[C@]2(C)CCC[NH2+]2)c1Br ZINC000085698078 179116779 /nfs/dbraw/zinc/11/67/79/179116779.db2.gz KVYPLJIFTVCVSQ-NSHDSACASA-N 1 0 272.190 2.176 10 0 CEAERO CC(C)C[C@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)N(C)C ZINC000085631017 179108051 /nfs/dbraw/zinc/10/80/51/179108051.db2.gz PPAAMOXWTUWCAX-QPSCCSFWSA-N 1 0 268.445 2.366 10 0 CEAERO Cn1ncc2c1CCC[C@H]2[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085633781 179108550 /nfs/dbraw/zinc/10/85/50/179108550.db2.gz IYTXISYGPIDBEI-FDEJFUCISA-N 1 0 275.396 2.201 10 0 CEAERO Cc1nc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)cs1 ZINC000085636585 179109712 /nfs/dbraw/zinc/10/97/12/179109712.db2.gz WVZXBKWBPPZLJA-SRVKXCTJSA-N 1 0 252.383 2.355 10 0 CEAERO Cc1cc([C@H]2COC(=[NH2+])N2)ccc1Br ZINC000085708991 179123754 /nfs/dbraw/zinc/12/37/54/179123754.db2.gz VSXQGLWRUGQUEZ-SECBINFHSA-N 1 0 255.115 2.144 10 0 CEAERO Cc1cc2ccccc2nc1N1CCN([C@H](C)C[NH3+])CC1 ZINC000109453784 136555605 /nfs/dbraw/zinc/55/56/05/136555605.db2.gz QYQVHLBPYNRSNZ-CQSZACIVSA-N 1 0 284.407 2.012 10 0 CEAERO C[C@H]([NH3+])[C@@H]1CCCN(c2nncc3ccccc32)C1 ZINC000111715899 136563650 /nfs/dbraw/zinc/56/36/50/136563650.db2.gz MYHAYZHFBKHQPZ-WCQYABFASA-N 1 0 256.353 2.193 10 0 CEAERO CC[NH2+]CCC(=O)Nc1ccc(Br)c(C)n1 ZINC000085729065 179132098 /nfs/dbraw/zinc/13/20/98/179132098.db2.gz XOZXOFUBIPOIMY-UHFFFAOYSA-N 1 0 286.173 2.091 10 0 CEAERO Cc1ccc([C@H]([NH3+])CN2c3ccccc3OCC2=O)cc1 ZINC000019264257 136576467 /nfs/dbraw/zinc/57/64/67/136576467.db2.gz TXEIPFNUWJVPGE-CQSZACIVSA-N 1 0 282.343 2.420 10 0 CEAERO C[NH2+][C@H](Cc1cc(Br)cs1)CN(C)C ZINC000085798793 179173244 /nfs/dbraw/zinc/17/32/44/179173244.db2.gz YGZQWQWFCPYPQI-SECBINFHSA-N 1 0 277.231 2.203 10 0 CEAERO C[C@@H](C[NH3+])[C@](C)(O)c1cccc(Br)c1 ZINC000085899431 179195856 /nfs/dbraw/zinc/19/58/56/179195856.db2.gz OKJBQZIZRGQIMH-KWQFWETISA-N 1 0 258.159 2.251 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1CNC(=O)c1ccc2c(c1)CCC2 ZINC000085965112 179205253 /nfs/dbraw/zinc/20/52/53/179205253.db2.gz GRJTYQSJQMWJKI-JKSUJKDBSA-N 1 0 272.392 2.423 10 0 CEAERO COc1ccc(C)cc1C(=O)NC[C@@H]1CCCC[C@H]1[NH3+] ZINC000085965831 179205587 /nfs/dbraw/zinc/20/55/87/179205587.db2.gz ORAKWWZTJDFQIC-GXTWGEPZSA-N 1 0 276.380 2.251 10 0 CEAERO Cc1cccc(CC(=O)NC[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000085965921 179205923 /nfs/dbraw/zinc/20/59/23/179205923.db2.gz ZINFETPEERBRPD-CABCVRRESA-N 1 0 260.381 2.171 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1CNC(=O)C1(c2ccccc2)CC1 ZINC000085966932 179206061 /nfs/dbraw/zinc/20/60/61/179206061.db2.gz HNIZOMOKIDBKQG-DZGCQCFKSA-N 1 0 272.392 2.352 10 0 CEAERO O[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000085974148 179207830 /nfs/dbraw/zinc/20/78/30/179207830.db2.gz GUEZGIOLPRLEQI-QWHCGFSZSA-N 1 0 263.337 2.056 10 0 CEAERO CC[NH2+][C@H](CCO)COc1ccccc1C(F)(F)F ZINC000085923904 179201496 /nfs/dbraw/zinc/20/14/96/179201496.db2.gz GMFDNYQUBWOECZ-SNVBAGLBSA-N 1 0 277.286 2.445 10 0 CEAERO C[NH2+][C@H](CCO)COc1cccc(C(C)(C)C)c1 ZINC000085926116 179201964 /nfs/dbraw/zinc/20/19/64/179201964.db2.gz SYVNWOREXUNNGQ-CYBMUJFWSA-N 1 0 251.370 2.333 10 0 CEAERO CCC[NH2+][C@@H](CCO)C[S@](=O)c1ccc(Cl)cc1 ZINC000085926167 179202084 /nfs/dbraw/zinc/20/20/84/179202084.db2.gz AXWZZXCEPTUQLL-KPZWWZAWSA-N 1 0 289.828 2.198 10 0 CEAERO [NH3+]CC[C@@H](O)c1cc(Cl)ccc1Br ZINC000085926603 179202125 /nfs/dbraw/zinc/20/21/25/179202125.db2.gz MHUVVKWFADBVJE-SECBINFHSA-N 1 0 264.550 2.485 10 0 CEAERO C[NH2+][C@H]1CC[C@H](S(=O)(=O)c2cc(F)ccc2F)[C@@H]1C ZINC000086041388 179222411 /nfs/dbraw/zinc/22/24/11/179222411.db2.gz WFWJMBLWBHSTQS-ZHAHWJHGSA-N 1 0 289.347 2.125 10 0 CEAERO CCCCS(=O)(=O)[C@@H]1CC[C@@H]([NH2+]CCC)[C@@H]1C ZINC000086041497 179222443 /nfs/dbraw/zinc/22/24/43/179222443.db2.gz ZYMBYPNFCBBVIR-YNEHKIRRSA-N 1 0 261.431 2.368 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CC[C@@H]1Sc1nnc2n1CCCCC2 ZINC000086044582 179223144 /nfs/dbraw/zinc/22/31/44/179223144.db2.gz ZMLQRGSVPUKLMJ-MXWKQRLJSA-N 1 0 266.414 2.222 10 0 CEAERO CCC[NH2+][C@H]1CC[C@H](CCCS(C)(=O)=O)[C@@H]1C ZINC000086065280 179223727 /nfs/dbraw/zinc/22/37/27/179223727.db2.gz LXQCIUNQKYWMEX-AVGNSLFASA-N 1 0 261.431 2.226 10 0 CEAERO C[C@H]1[C@H]([NH2+]CC(=O)NC2CCCCC2)CC[C@@H]1C ZINC000086076177 179225725 /nfs/dbraw/zinc/22/57/25/179225725.db2.gz GWUVGDBIMDPMGW-OUCADQQQSA-N 1 0 252.402 2.460 10 0 CEAERO C[C@H]1[C@H](NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC[C@@H]1C ZINC000086075774 179225752 /nfs/dbraw/zinc/22/57/52/179225752.db2.gz CSPZNRLDXDHQAF-XNDJQWLSSA-N 1 0 278.318 2.079 10 0 CEAERO C[C@@H]1CC[C@H]([NH2+]Cc2cc(=O)n3ccccc3n2)[C@@H]1C ZINC000086076825 179226068 /nfs/dbraw/zinc/22/60/68/179226068.db2.gz YWMHMYWYYHTXJT-BZPMIXESSA-N 1 0 271.364 2.219 10 0 CEAERO CC[NH2+][C@@H](c1ccc(C)s1)[C@H]1CCS(=O)(=O)C1 ZINC000086020897 179218137 /nfs/dbraw/zinc/21/81/37/179218137.db2.gz AVKZIIHLEGRHCL-CMPLNLGQSA-N 1 0 273.423 2.142 10 0 CEAERO CC[NH2+][C@H](c1sccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000086022266 179218511 /nfs/dbraw/zinc/21/85/11/179218511.db2.gz IHSHNEAJCFPUBB-MNOVXSKESA-N 1 0 273.423 2.142 10 0 CEAERO CC[NH2+][C@@H](c1ccc(OC)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000086021012 179219107 /nfs/dbraw/zinc/21/91/07/179219107.db2.gz ISLNSUVFZPUKAN-IUODEOHRSA-N 1 0 297.420 2.089 10 0 CEAERO [NH3+][C@H](Cc1ccc2ccccc2c1)[C@H]1CCS(=O)(=O)C1 ZINC000086025123 179219446 /nfs/dbraw/zinc/21/94/46/179219446.db2.gz MSHGHLGSFHIFAG-JKSUJKDBSA-N 1 0 289.400 2.144 10 0 CEAERO Cc1ccc(S(=O)(=O)[C@@H]2CC[C@@H]([NH3+])[C@@H]2C)c(C)c1 ZINC000086040630 179222072 /nfs/dbraw/zinc/22/20/72/179222072.db2.gz DUACJZRGKGVFHF-OUCADQQQSA-N 1 0 267.394 2.203 10 0 CEAERO CC[NH2+][C@H]1CC[C@H](S(=O)(=O)c2ccccc2)[C@@H]1C ZINC000086040249 179222364 /nfs/dbraw/zinc/22/23/64/179222364.db2.gz CJZNNBKTLCAGLW-XBFCOCLRSA-N 1 0 267.394 2.237 10 0 CEAERO CC[C@@H]1CC[C@H](NS(=O)(=O)CCC[NH2+]C(C)C)[C@@H]1C ZINC000086101450 179230246 /nfs/dbraw/zinc/23/02/46/179230246.db2.gz HUQRBCLFTRTELB-MCIONIFRSA-N 1 0 290.473 2.119 10 0 CEAERO CCC[NH2+]Cc1nnnn1[C@H]1CC[C@H](CC)[C@@H]1C ZINC000086107367 179230870 /nfs/dbraw/zinc/23/08/70/179230870.db2.gz AICJUUMJAIMKPX-SRVKXCTJSA-N 1 0 251.378 2.170 10 0 CEAERO C[C@@H]([C@H]1CCCO1)[N@@H+]1CCN[C@H](c2ccccc2)C1 ZINC000086127810 179236049 /nfs/dbraw/zinc/23/60/49/179236049.db2.gz JCFYLTIBBDXRPN-CWRNSKLLSA-N 1 0 260.381 2.200 10 0 CEAERO C[C@@H]([C@@H]1CCCO1)N1CC[NH2+]C2(CCCCC2)C1 ZINC000086127744 179236103 /nfs/dbraw/zinc/23/61/03/179236103.db2.gz PPXDXKXLCUIRFQ-KBPBESRZSA-N 1 0 252.402 2.162 10 0 CEAERO C[C@]1(C2CC2)CN(CCc2ccccc2F)CC[NH2+]1 ZINC000086124311 179236176 /nfs/dbraw/zinc/23/61/76/179236176.db2.gz AAYHPCOJAGJXQR-MRXNPFEDSA-N 1 0 262.372 2.442 10 0 CEAERO c1ccc([C@@H]2C[N@H+](C[C@@H]3CCCOC3)CCN2)cc1 ZINC000086146263 179238767 /nfs/dbraw/zinc/23/87/67/179238767.db2.gz FOVXREXTQJUEAP-HOCLYGCPSA-N 1 0 260.381 2.060 10 0 CEAERO C[C@@H]1CC[C@@H](n2nnnc2C[NH2+]C(C)(C)C)[C@@H]1C ZINC000086082226 179228170 /nfs/dbraw/zinc/22/81/70/179228170.db2.gz AUUBHHHEBKAZGU-GMTAPVOTSA-N 1 0 251.378 2.168 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C)CN1CCc1ccc(OC)c(OC)c1 ZINC000086152074 179240284 /nfs/dbraw/zinc/24/02/84/179240284.db2.gz FNXDJZCNROJWDK-HIFRSBDPSA-N 1 0 292.423 2.319 10 0 CEAERO C[C@@H](c1nccs1)N1CC[NH2+][C@@](C)(C2CC2)C1 ZINC000086150543 179240314 /nfs/dbraw/zinc/24/03/14/179240314.db2.gz NUVCDOVLKVEOMH-GXFFZTMASA-N 1 0 251.399 2.278 10 0 CEAERO CC[C@H]1C[NH2+][C@H](Cc2ccccc2)CN1[C@@H](C)COC ZINC000086151884 179240408 /nfs/dbraw/zinc/24/04/08/179240408.db2.gz OWYZIXKOPKRQJN-UAGQMJEPSA-N 1 0 276.424 2.316 10 0 CEAERO CC[C@@H]1CN[C@H](Cc2ccccc2)C[N@@H+]1C1CCOCC1 ZINC000086154438 179241288 /nfs/dbraw/zinc/24/12/88/179241288.db2.gz XXOYDDVIKCACCF-IAGOWNOFSA-N 1 0 288.435 2.461 10 0 CEAERO C[C@H]1CN[C@H](Cc2ccccc2)C[N@@H+]1CC[C@@H]1CCCO1 ZINC000086173636 179244808 /nfs/dbraw/zinc/24/48/08/179244808.db2.gz NECOLGOSGGXVCD-JQHSSLGASA-N 1 0 288.435 2.461 10 0 CEAERO CC[C@@H](C)[C@H]1CN(Cc2nc(C)no2)[C@H](C(C)C)C[NH2+]1 ZINC000086174049 179245243 /nfs/dbraw/zinc/24/52/43/179245243.db2.gz LSJQHGLGWGPFTK-BNOWGMLFSA-N 1 0 280.416 2.223 10 0 CEAERO Cc1nccc(CN2C[C@H](C(C)C)[NH2+]C[C@@H]2C(C)C)n1 ZINC000086174033 179245646 /nfs/dbraw/zinc/24/56/46/179245646.db2.gz CHUWPIQCMBHXGH-HZPDHXFCSA-N 1 0 276.428 2.239 10 0 CEAERO C[C@H]1C[NH2+][C@H](Cc2ccccc2)CN1[C@@H]1CCCOC1 ZINC000086175687 179245968 /nfs/dbraw/zinc/24/59/68/179245968.db2.gz QTCCXTXLSBWDBK-USXIJHARSA-N 1 0 274.408 2.070 10 0 CEAERO CO[C@H]1CCC[C@@H]1[N@@H+]1CCN[C@H](c2ccccc2)C1 ZINC000086146848 179239468 /nfs/dbraw/zinc/23/94/68/179239468.db2.gz KYVYUFLFMLPJPB-JYJNAYRXSA-N 1 0 260.381 2.200 10 0 CEAERO Cc1cnc(CN2CC[NH2+][C@H](C3CCCCC3)C2)cn1 ZINC000086148011 179239822 /nfs/dbraw/zinc/23/98/22/179239822.db2.gz DKYJCBBRRSINFU-INIZCTEOSA-N 1 0 274.412 2.139 10 0 CEAERO CC[C@H]1CN[C@@H](C2CC2)C[N@@H+]1[C@@H](C)[C@@H]1CCCO1 ZINC000086218204 179249786 /nfs/dbraw/zinc/24/97/86/179249786.db2.gz KAHHLODEJZFPDL-MHEUCROKSA-N 1 0 252.402 2.016 10 0 CEAERO CC[C@H]1C[NH2+][C@](C)(CC)CN1c1cnn(CC)c1 ZINC000086218539 179249949 /nfs/dbraw/zinc/24/99/49/179249949.db2.gz LEKOWLQNQLWSDS-GXTWGEPZSA-N 1 0 250.390 2.260 10 0 CEAERO C[C@H]1CN[C@@H](C2CCCCC2)C[N@@H+]1C1CCOCC1 ZINC000086218799 179250850 /nfs/dbraw/zinc/25/08/50/179250850.db2.gz TUPNDUKOIQQILN-XJKSGUPXSA-N 1 0 266.429 2.408 10 0 CEAERO CC[C@@H]1C[NH2+][C@@](C)(CC)CN1CCc1ccncc1 ZINC000086223332 179251506 /nfs/dbraw/zinc/25/15/06/179251506.db2.gz HZCRIKLODGWIHW-CVEARBPZSA-N 1 0 261.413 2.477 10 0 CEAERO C[C@H]1C[NH2+]C2(CCCC2)CN1CCc1ccncc1 ZINC000086223351 179251783 /nfs/dbraw/zinc/25/17/83/179251783.db2.gz ZEUVCBDZCMVOCX-AWEZNQCLSA-N 1 0 259.397 2.231 10 0 CEAERO CC(C)[C@@H]1C[NH2+]C2(CCCCC2)CN1C[C@@H]1COCCO1 ZINC000086223686 179251810 /nfs/dbraw/zinc/25/18/10/179251810.db2.gz HUMSJMNTDZSWFW-CVEARBPZSA-N 1 0 296.455 2.035 10 0 CEAERO Cc1noc(C2CC2)c1NC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 ZINC000129786179 365892956 /nfs/dbraw/zinc/89/29/56/365892956.db2.gz HAMSFTXHGUHRJD-NEPJUHHUSA-N 1 0 292.383 2.465 10 0 CEAERO Cc1nc(CN2C[C@H](C3CC3)[NH2+]C[C@@H]2C)cs1 ZINC000086226986 179253047 /nfs/dbraw/zinc/25/30/47/179253047.db2.gz JPEPCKCAVDPJNB-TVQRCGJNSA-N 1 0 251.399 2.024 10 0 CEAERO CC[C@@H]1CN(Cc2nccs2)[C@H](C(C)C)C[NH2+]1 ZINC000086226872 179253468 /nfs/dbraw/zinc/25/34/68/179253468.db2.gz FWYRWLYVEYGZIF-NEPJUHHUSA-N 1 0 253.415 2.352 10 0 CEAERO CC[C@H]1CN[C@@](C)(C2CC2)C[N@@H+]1CCCCOC ZINC000086259402 179258170 /nfs/dbraw/zinc/25/81/70/179258170.db2.gz ZMYRMBGIMPUZMM-LSDHHAIUSA-N 1 0 254.418 2.266 10 0 CEAERO COCc1nc(CN[C@H](C)C[NH+]2CCCCC2)cs1 ZINC000608053637 347558417 /nfs/dbraw/zinc/55/84/17/347558417.db2.gz VSDLRHYDKBBFDR-GFCCVEGCSA-N 1 0 283.441 2.254 10 0 CEAERO CC[C@H]1C[NH2+][C@H](c2ccccc2)CN1Cc1nc(C)no1 ZINC000086260310 179259006 /nfs/dbraw/zinc/25/90/06/179259006.db2.gz QGZIUOMFSOKVES-GJZGRUSLSA-N 1 0 286.379 2.303 10 0 CEAERO CC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1cc(C)on1 ZINC000086259781 179259433 /nfs/dbraw/zinc/25/94/33/179259433.db2.gz XYNHLVIWVLNYER-CABCVRRESA-N 1 0 263.385 2.336 10 0 CEAERO CCC1(CC)CN(Cc2cc(C)on2)[C@@H](C)C[NH2+]1 ZINC000086259818 179259514 /nfs/dbraw/zinc/25/95/14/179259514.db2.gz LQTBHPJITDWQPK-NSHDSACASA-N 1 0 251.374 2.336 10 0 CEAERO CCC1(CC)CN(Cc2ccnc(C)n2)[C@H](C)C[NH2+]1 ZINC000086260221 179259539 /nfs/dbraw/zinc/25/95/39/179259539.db2.gz UVLLVRZOODYDPU-GFCCVEGCSA-N 1 0 262.401 2.138 10 0 CEAERO C[C@H]1C[NH2+][C@@](C)(C2CC2)CN1C[C@@H]1Cc2ccccc2O1 ZINC000086261670 179260196 /nfs/dbraw/zinc/26/01/96/179260196.db2.gz ZMFVYWTZGFDKNV-QANKJYHBSA-N 1 0 286.419 2.453 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C2CC2)CN1Cc1ccc2c(c1)OCO2 ZINC000086263408 179260282 /nfs/dbraw/zinc/26/02/82/179260282.db2.gz WMIVNLBNLUFNIT-GJZGRUSLSA-N 1 0 288.391 2.378 10 0 CEAERO CCC1(CC)CN(Cc2ccc(OC)nc2)[C@@H](C)C[NH2+]1 ZINC000086263922 179261295 /nfs/dbraw/zinc/26/12/95/179261295.db2.gz MRTITDXOCOPXJW-ZDUSSCGKSA-N 1 0 277.412 2.443 10 0 CEAERO CC[C@@H]1C[NH2+][C@](C)(CC)CN1Cc1ccnc(OC)c1 ZINC000086263845 179261388 /nfs/dbraw/zinc/26/13/88/179261388.db2.gz JZULXTWHHHAETM-GDBMZVCRSA-N 1 0 277.412 2.443 10 0 CEAERO C[NH+](C)C[C@@H]1CCCN1c1nc(Br)cs1 ZINC000086291041 179265509 /nfs/dbraw/zinc/26/55/09/179265509.db2.gz IJPBSMWQSAMVQM-QMMMGPOBSA-N 1 0 290.230 2.436 10 0 CEAERO C[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1cscn1 ZINC000086265425 179262102 /nfs/dbraw/zinc/26/21/02/179262102.db2.gz XPDBKTIAFGPYKU-ZWNOBZJWSA-N 1 0 251.399 2.106 10 0 CEAERO C[NH+](C)C1CCN(c2nc(Br)cs2)CC1 ZINC000086279868 179263857 /nfs/dbraw/zinc/26/38/57/179263857.db2.gz GOJZTYOXBNIQJZ-UHFFFAOYSA-N 1 0 290.230 2.436 10 0 CEAERO CN(C)c1ccc(N2CCC[NH2+][C@@H](C3CC3)C2)cc1 ZINC000086287333 179264670 /nfs/dbraw/zinc/26/46/70/179264670.db2.gz FUOXUINOTIMQEJ-MRXNPFEDSA-N 1 0 259.397 2.331 10 0 CEAERO COc1cc(F)ccc1N1CCC[NH2+][C@H](C2CC2)C1 ZINC000086290833 179265317 /nfs/dbraw/zinc/26/53/17/179265317.db2.gz BWTWFLRPRAEBLO-ZDUSSCGKSA-N 1 0 264.344 2.413 10 0 CEAERO C[C@@H]1[NH2+]CC[C@H]1c1nc2cc(Br)cnc2[nH]1 ZINC000086256072 179257243 /nfs/dbraw/zinc/25/72/43/179257243.db2.gz SGTGQRPKHOOLGR-POYBYMJQSA-N 1 0 281.157 2.186 10 0 CEAERO CC[C@H]1CN[C@@](C)(CC)C[N@@H+]1CC[C@@H]1CCCO1 ZINC000086258844 179257363 /nfs/dbraw/zinc/25/73/63/179257363.db2.gz XEMJHPLGWONFPH-KKUMJFAQSA-N 1 0 254.418 2.408 10 0 CEAERO CCN1C(=O)CC[C@H]([NH3+])[C@@H]1c1ccc2ccccc2n1 ZINC000086317424 179270219 /nfs/dbraw/zinc/27/02/19/179270219.db2.gz AXCRKDGBKBVUJC-BLLLJJGKSA-N 1 0 269.348 2.246 10 0 CEAERO CC[NH2+]C[C@@H]1OCCN(C)[C@@H]1c1ccc2ccccc2n1 ZINC000086317390 179270467 /nfs/dbraw/zinc/27/04/67/179270467.db2.gz CCQYRAUJNUZOLF-DLBZAZTESA-N 1 0 285.391 2.216 10 0 CEAERO Cc1cc(CN2CCC[NH2+][C@H](C(C)(C)C)C2)no1 ZINC000086292123 179265949 /nfs/dbraw/zinc/26/59/49/179265949.db2.gz AVKJGLNAJCMBHE-ZDUSSCGKSA-N 1 0 251.374 2.193 10 0 CEAERO COC[C@@H](C)C[N@@H+]1CCCN[C@@](C)(c2ccccc2)C1 ZINC000086293231 179266331 /nfs/dbraw/zinc/26/63/31/179266331.db2.gz JLHFXTJTIKFNSC-DOTOQJQBSA-N 1 0 276.424 2.480 10 0 CEAERO c1ccc(C[C@@H]2CN([C@@H]3CCCOC3)CCC[NH2+]2)cc1 ZINC000086297586 179267254 /nfs/dbraw/zinc/26/72/54/179267254.db2.gz JMKXAVCGVUUPCE-IAGOWNOFSA-N 1 0 274.408 2.072 10 0 CEAERO CC[C@]1(C)CN(Cc2scnc2C)CCC[NH2+]1 ZINC000086297125 179267537 /nfs/dbraw/zinc/26/75/37/179267537.db2.gz WIIWEOZVRBMKJV-CYBMUJFWSA-N 1 0 253.415 2.416 10 0 CEAERO C[N@H+](C[C@H](O)CN1CCCC[C@@H]1c1nccs1)C1CC1 ZINC000336836043 365905852 /nfs/dbraw/zinc/90/58/52/365905852.db2.gz KHNNBIKUMXLIQB-UONOGXRCSA-N 1 0 295.452 2.125 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(Cc2ccc(OC)nc2)CCC[NH2+]1 ZINC000086296380 179267844 /nfs/dbraw/zinc/26/78/44/179267844.db2.gz NYVCRXNCUHQWEM-HIFRSBDPSA-N 1 0 277.412 2.300 10 0 CEAERO CC[C@]1(C)CN(CCc2cscn2)CCC[NH2+]1 ZINC000086297913 179268497 /nfs/dbraw/zinc/26/84/97/179268497.db2.gz ZJPQAAURTYYOQI-CYBMUJFWSA-N 1 0 253.415 2.150 10 0 CEAERO Cc1nn(C)c(CC2(C(C)C)C[NH2+]C2)c1Br ZINC000086395871 179285238 /nfs/dbraw/zinc/28/52/38/179285238.db2.gz PQBGNLLFMFLESS-UHFFFAOYSA-N 1 0 286.217 2.279 10 0 CEAERO [NH3+][C@@H]1CC[C@H](Oc2nc(Br)cs2)C1 ZINC000086408381 179285533 /nfs/dbraw/zinc/28/55/33/179285533.db2.gz LJGOLIYELWJDOY-RITPCOANSA-N 1 0 263.160 2.164 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](OCc2ccc(Br)o2)C1 ZINC000086405835 179285798 /nfs/dbraw/zinc/28/57/98/179285798.db2.gz WFDPIBBDGJQYEC-HTQZYQBOSA-N 1 0 260.131 2.439 10 0 CEAERO [NH3+][C@H]1CCC[C@@H](Oc2ncccc2Br)C1 ZINC000086409020 179286573 /nfs/dbraw/zinc/28/65/73/179286573.db2.gz ASLIGMXBFFOBFM-DTWKUNHWSA-N 1 0 271.158 2.493 10 0 CEAERO CCO[C@@H]1CCCN(c2nc3c(s2)CCC[C@@H]3[NH3+])C1 ZINC000086443927 179294148 /nfs/dbraw/zinc/29/41/48/179294148.db2.gz GTHKWYHSXCDMIR-MNOVXSKESA-N 1 0 281.425 2.485 10 0 CEAERO CN(CC1CC[NH+](C)CC1)c1nc2c(s1)CCC[C@H]2O ZINC000086444798 179294566 /nfs/dbraw/zinc/29/45/66/179294566.db2.gz AIKRCHJFMNZMHQ-GFCCVEGCSA-N 1 0 295.452 2.291 10 0 CEAERO CCCN(CC[NH+](C)C)c1nc2c(s1)CCC[C@H]2O ZINC000086444629 179294576 /nfs/dbraw/zinc/29/45/76/179294576.db2.gz CLQYVPFWYPMPST-LLVKDONJSA-N 1 0 283.441 2.291 10 0 CEAERO CC[C@H]1CN(Cc2c(C)noc2C)[C@@H](CC)C[NH2+]1 ZINC000086445756 179295139 /nfs/dbraw/zinc/29/51/39/179295139.db2.gz UMJIVEYYUGRWMV-STQMWFEESA-N 1 0 251.374 2.254 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)Cc1cccs1 ZINC000086447606 179295339 /nfs/dbraw/zinc/29/53/39/179295339.db2.gz IHOVQVVJGXKTMC-NWDGAFQWSA-N 1 0 266.410 2.280 10 0 CEAERO CCN(C(=O)CN1C[C@H](C)[NH2+]C[C@@H]1C)c1ccccc1C ZINC000086470894 179300263 /nfs/dbraw/zinc/30/02/63/179300263.db2.gz VPAIQXIUSQJDKS-GJZGRUSLSA-N 1 0 289.423 2.030 10 0 CEAERO C[C@]1(c2nc([C@@H]3Cc4ccccc43)no2)CCC[NH2+]C1 ZINC000086486394 179301873 /nfs/dbraw/zinc/30/18/73/179301873.db2.gz BQIVJKJRBOGXDO-CJNGLKHVSA-N 1 0 269.348 2.399 10 0 CEAERO CC[C@H]1CN(Cc2nnsc2Cl)[C@@H](CC)C[NH2+]1 ZINC000086464182 179296196 /nfs/dbraw/zinc/29/61/96/179296196.db2.gz ABKNPTAUBJTXAY-IUCAKERBSA-N 1 0 274.821 2.154 10 0 CEAERO CC[C@H]1CN(Cc2ccoc2C(=O)OC)[C@@H](CC)C[NH2+]1 ZINC000086464437 179296896 /nfs/dbraw/zinc/29/68/96/179296896.db2.gz CHRCNKGEOPHROC-STQMWFEESA-N 1 0 280.368 2.029 10 0 CEAERO CC[C@@H]1CN(CC(=O)Nc2ccccc2F)[C@@H](CC)C[NH2+]1 ZINC000086465728 179297097 /nfs/dbraw/zinc/29/70/97/179297097.db2.gz YNVHVORTJFOXMS-OLZOCXBDSA-N 1 0 293.386 2.227 10 0 CEAERO COc1ccc(OC)c([C@H](C)N2C[C@@H](C)[NH2+]C[C@@H]2C)c1 ZINC000086467171 179297159 /nfs/dbraw/zinc/29/71/59/179297159.db2.gz GDQKLUQXAJPPPY-AGIUHOORSA-N 1 0 278.396 2.447 10 0 CEAERO COc1ccc(C(C)=O)cc1CN1C[C@H](C)[NH2+]C[C@@H]1C ZINC000086469599 179299736 /nfs/dbraw/zinc/29/97/36/179299736.db2.gz QWUNVPHALLBIFX-RYUDHWBXSA-N 1 0 276.380 2.080 10 0 CEAERO CCNc1ncc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)s1 ZINC000130097711 365924296 /nfs/dbraw/zinc/92/42/96/365924296.db2.gz AZDRCYOAOXMLKJ-WDEREUQCSA-N 1 0 296.440 2.033 10 0 CEAERO C[C@@H]1CN(CC(=O)Nc2ccc(Cl)cc2F)[C@@H](C)C[NH2+]1 ZINC000086469103 179299981 /nfs/dbraw/zinc/29/99/81/179299981.db2.gz GLTNLFHRDCHBKW-ZJUUUORDSA-N 1 0 299.777 2.100 10 0 CEAERO C[NH2+][C@@H](CN(C)C)c1cscc1Br ZINC000086555968 179307209 /nfs/dbraw/zinc/30/72/09/179307209.db2.gz ZZXDSFSUWYFVPJ-VIFPVBQESA-N 1 0 263.204 2.333 10 0 CEAERO CO[C@H](C)[C@H]([NH3+])Cc1ccccc1Br ZINC000086576315 179308553 /nfs/dbraw/zinc/30/85/53/179308553.db2.gz QKWPLPVCOCJLCD-LDYMZIIASA-N 1 0 258.159 2.354 10 0 CEAERO COc1ccc(Br)cc1C[C@@H]([NH3+])[C@H](C)OC ZINC000086576321 179308641 /nfs/dbraw/zinc/30/86/41/179308641.db2.gz DDSCDZGXLGAJEV-GZMMTYOYSA-N 1 0 288.185 2.362 10 0 CEAERO COc1ccc([C@H](C[NH3+])N2CCOC(C)(C)C2)cc1Cl ZINC000086586525 179309989 /nfs/dbraw/zinc/30/99/89/179309989.db2.gz GTCSMDFBYJASEJ-ZDUSSCGKSA-N 1 0 298.814 2.459 10 0 CEAERO CC(C)(CO)c1nc2cc(C[NH3+])ccc2n1C1CC1 ZINC000086641536 179315403 /nfs/dbraw/zinc/31/54/03/179315403.db2.gz OCCAKJLDVCBZLX-UHFFFAOYSA-N 1 0 259.353 2.100 10 0 CEAERO COC[C@@H]([NH2+]Cc1c[nH]nc1-c1cccnc1)C(C)C ZINC000086696456 179320579 /nfs/dbraw/zinc/32/05/79/179320579.db2.gz XGKJTSNJSKSTDZ-CQSZACIVSA-N 1 0 274.368 2.232 10 0 CEAERO Fc1cc(Br)cc(COC2C[NH2+]C2)c1 ZINC000086694909 179320613 /nfs/dbraw/zinc/32/06/13/179320613.db2.gz GGGIJHTVEHCKHG-UHFFFAOYSA-N 1 0 260.106 2.077 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1S(C)(=O)=O)c1ccc(F)cc1 ZINC000086670909 179317583 /nfs/dbraw/zinc/31/75/83/179317583.db2.gz MQYDORZNCBTQMT-GDLCADMTSA-N 1 0 285.384 2.442 10 0 CEAERO CS(=O)(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc2c(s1)CCC2 ZINC000086675451 179318550 /nfs/dbraw/zinc/31/85/50/179318550.db2.gz RXQJKWGPJUUMAM-OCCSQVGLSA-N 1 0 299.461 2.292 10 0 CEAERO C[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@@H]1S(C)(=O)=O ZINC000086676011 179319612 /nfs/dbraw/zinc/31/96/12/179319612.db2.gz QIOWMJKKJHOIJG-YUELXQCFSA-N 1 0 281.421 2.173 10 0 CEAERO CO[C@@H](C)[C@H]([NH3+])Cc1cc(F)cc(Br)c1 ZINC000086696439 179320467 /nfs/dbraw/zinc/32/04/67/179320467.db2.gz MHYZAFWFIYVSHS-WRWORJQWSA-N 1 0 276.149 2.493 10 0 CEAERO CCCC1CCC(C[NH3+])(OCCC(=O)N(C)C)CC1 ZINC000086713405 179322779 /nfs/dbraw/zinc/32/27/79/179322779.db2.gz BPOLQNAAUGPEBQ-UHFFFAOYSA-N 1 0 270.417 2.169 10 0 CEAERO CCC1CCC(C[NH3+])(OC[C@@H](O)C(F)(F)F)CC1 ZINC000086713311 179322814 /nfs/dbraw/zinc/32/28/14/179322814.db2.gz UKPCZVUGNFCXKH-HSOILSAZSA-N 1 0 269.307 2.224 10 0 CEAERO COC[C@@H](C)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000128677642 187383632 /nfs/dbraw/zinc/38/36/32/187383632.db2.gz APZOMXNXVWLTRS-QQFBHYJXSA-N 1 0 296.455 2.428 10 0 CEAERO C[N@@H+]1CCC[C@](Nc2ccccc2Cl)(C(N)=O)CC1 ZINC000086819735 179348371 /nfs/dbraw/zinc/34/83/71/179348371.db2.gz BJCHLULUORLWGP-CQSZACIVSA-N 1 0 281.787 2.092 10 0 CEAERO CCC[N@@H+]1CCC[C@H](Nc2ccc(C(N)=O)cc2)CC1 ZINC000086835252 179349559 /nfs/dbraw/zinc/34/95/59/179349559.db2.gz LNGXDXKKPJMDFB-AWEZNQCLSA-N 1 0 275.396 2.462 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cccn1Cc1ccccc1 ZINC000309795091 539598672 /nfs/dbraw/zinc/59/86/72/539598672.db2.gz JGTKVOVBVNMGHL-ZBFHGGJFSA-N 1 0 297.402 2.407 10 0 CEAERO Cn1cnnc1-c1ccccc1N[C@H]1CCC[N@H+](C)CC1 ZINC000086817984 179345750 /nfs/dbraw/zinc/34/57/50/179345750.db2.gz FRFZOTMPHKDWDI-ZDUSSCGKSA-N 1 0 285.395 2.378 10 0 CEAERO COc1nccc(N(C)C)c1N[C@@H]1CCC[N@H+](C)CC1 ZINC000086817644 179346163 /nfs/dbraw/zinc/34/61/63/179346163.db2.gz XAKMJICOBOIYAE-GFCCVEGCSA-N 1 0 278.400 2.052 10 0 CEAERO CCC[N@@H+]1CCC[C@@](N[C@@H](C)CC)(C(=O)OC)CC1 ZINC000086850509 179357862 /nfs/dbraw/zinc/35/78/62/179357862.db2.gz CSNRTLWNBVKCID-ZFWWWQNUSA-N 1 0 270.417 2.182 10 0 CEAERO CN[C@@]1(c2nc(C)c(C)s2)CCC[N@H+](C)CC1 ZINC000086833637 179350380 /nfs/dbraw/zinc/35/03/80/179350380.db2.gz HUEYVQJNXFCODA-ZDUSSCGKSA-N 1 0 253.415 2.290 10 0 CEAERO CCN(CC)C(=O)[C@@H](C)N[C@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086839890 179350896 /nfs/dbraw/zinc/35/08/96/179350896.db2.gz VWEXLMDQYPIPNS-CABCVRRESA-N 1 0 283.460 2.096 10 0 CEAERO CCC[N@@H+]1CCC[C@H](Nc2ccccc2CC(N)=O)CC1 ZINC000086839846 179351174 /nfs/dbraw/zinc/35/11/74/179351174.db2.gz FWHKLJAVIQRTFT-HNNXBMFYSA-N 1 0 289.423 2.391 10 0 CEAERO CC[N@@H+]1CCC[C@](O)([C@@H]2Cc3ccccc3N2)CC1 ZINC000086851899 179359510 /nfs/dbraw/zinc/35/95/10/179359510.db2.gz VTIIOVZNULEKPQ-JKSUJKDBSA-N 1 0 260.381 2.260 10 0 CEAERO CC[N@@H+]1CCC[C@@](N)(c2nc3c(s2)CCC3)CC1 ZINC000086851344 179360025 /nfs/dbraw/zinc/36/00/25/179360025.db2.gz SXTRCNNLKAZABK-AWEZNQCLSA-N 1 0 265.426 2.292 10 0 CEAERO CC[N@@H+]1CCC[C@](C(=O)[O-])([NH+]2CCCCCC2)CC1 ZINC000086867830 179360661 /nfs/dbraw/zinc/36/06/61/179360661.db2.gz VWOBOGQURABDQM-HNNXBMFYSA-N 1 0 268.401 2.192 10 0 CEAERO CC[N@@H+]1CCC[C@H]([NH+]2CCCC[C@@H]2CC(=O)[O-])CC1 ZINC000086869039 179361554 /nfs/dbraw/zinc/36/15/54/179361554.db2.gz OICMLVDZPKRLQV-UONOGXRCSA-N 1 0 268.401 2.190 10 0 CEAERO CCC[N@@H+]1CCC[C@H]([NH+](CCC(=O)[O-])C(C)C)CC1 ZINC000086868766 179362429 /nfs/dbraw/zinc/36/24/29/179362429.db2.gz MSHVWIZOMAWZAP-AWEZNQCLSA-N 1 0 270.417 2.436 10 0 CEAERO CC[N@H+](C[C@H](C)C(=O)[O-])[C@@H]1CCC[NH+](C(C)C)CC1 ZINC000086868949 179362662 /nfs/dbraw/zinc/36/26/62/179362662.db2.gz NVYULFRZBYXFEY-UONOGXRCSA-N 1 0 270.417 2.292 10 0 CEAERO CC[N@@H+]1CCC[C@@H]([NH+]2CCCCC[C@@H]2C(=O)[O-])CC1 ZINC000086869321 179363408 /nfs/dbraw/zinc/36/34/08/179363408.db2.gz FOQDKDUPEFFPTI-ZIAGYGMSSA-N 1 0 268.401 2.190 10 0 CEAERO Cc1ccc(CN(C)[C@@]2(C[NH3+])CCCOCC2)cc1 ZINC000086874867 179364742 /nfs/dbraw/zinc/36/47/42/179364742.db2.gz PAWOOMIGWHMPOL-INIZCTEOSA-N 1 0 262.397 2.325 10 0 CEAERO CC[N@@H+]1CCC[C@](Nc2ccc(C)cc2)(C(N)=O)CC1 ZINC000086849304 179358322 /nfs/dbraw/zinc/35/83/22/179358322.db2.gz MHHDZXXCQABGBA-MRXNPFEDSA-N 1 0 275.396 2.137 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH3+])c1cc(F)c(F)c(F)c1 ZINC000086979106 179372398 /nfs/dbraw/zinc/37/23/98/179372398.db2.gz OLIPOXQCEOATPN-NSHDSACASA-N 1 0 295.326 2.319 10 0 CEAERO CCCn1ccnc1[C@@H]([NH3+])[C@H]1CSCCS1 ZINC000086984270 179373991 /nfs/dbraw/zinc/37/39/91/179373991.db2.gz SMOOVMQMGMQIGM-ZJUUUORDSA-N 1 0 257.428 2.142 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH3+])c1ccc2ncccc2c1 ZINC000086979638 179373363 /nfs/dbraw/zinc/37/33/63/179373363.db2.gz FMXAXBKWWBCJEW-CQSZACIVSA-N 1 0 292.404 2.450 10 0 CEAERO CCOC(=O)[C@]1(N2CCC[NH2+]CC2)CCC[C@@H](C)CC1 ZINC000086891881 179366157 /nfs/dbraw/zinc/36/61/57/179366157.db2.gz RWJDIKZZKDYZMM-ZBFHGGJFSA-N 1 0 282.428 2.184 10 0 CEAERO CC[NH+](CC)CCN[C@]1(C(=O)OC)CCC[C@@H](C)CC1 ZINC000086891865 179366290 /nfs/dbraw/zinc/36/62/90/179366290.db2.gz CBRFWSRLIYWJQT-GDBMZVCRSA-N 1 0 284.444 2.430 10 0 CEAERO CSCCC[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000086903008 179367186 /nfs/dbraw/zinc/36/71/86/179367186.db2.gz LHUJMFWQCCGHNA-NWDGAFQWSA-N 1 0 261.456 2.384 10 0 CEAERO CC(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCNC2=O)CC1 ZINC000086946051 179368033 /nfs/dbraw/zinc/36/80/33/179368033.db2.gz GZWWFNUPDJWUIE-MGPQQGTHSA-N 1 0 252.402 2.460 10 0 CEAERO CC(C)[C@@H]1CCC[C@]([NH2+]C[C@@H]2CCCO2)(C(N)=O)CC1 ZINC000086949351 179368600 /nfs/dbraw/zinc/36/86/00/179368600.db2.gz YDZGVYKHVZZNTR-IJEWVQPXSA-N 1 0 282.428 2.215 10 0 CEAERO CCOC(=O)[C@]1(N2CC[NH2+]CC2)CCC[C@H](C(C)C)CC1 ZINC000086949879 179368864 /nfs/dbraw/zinc/36/88/64/179368864.db2.gz AMFPOLYYOGLISH-RDJZCZTQSA-N 1 0 296.455 2.430 10 0 CEAERO COC(=O)[C@@]1(N2CC[NH2+]CC2)CCC[C@@H](C(C)(C)C)CC1 ZINC000086960102 179368932 /nfs/dbraw/zinc/36/89/32/179368932.db2.gz UOIRUZIFXUIVBI-RHSMWYFYSA-N 1 0 296.455 2.430 10 0 CEAERO CC(C)(C)[C@@H]1CCC[C@@H]([NH2+]CCNS(C)(=O)=O)CC1 ZINC000086955095 179369112 /nfs/dbraw/zinc/36/91/12/179369112.db2.gz CBEUIWVKDAPNKB-CHWSQXEVSA-N 1 0 290.473 2.120 10 0 CEAERO C[NH2+][C@H](CCCOC)Cc1ncc(C)c(OC)c1C ZINC000086969897 179370975 /nfs/dbraw/zinc/37/09/75/179370975.db2.gz QVILHIMATBFKJP-CYBMUJFWSA-N 1 0 266.385 2.264 10 0 CEAERO CCS(=O)(=O)CCCOc1ccccc1[C@@H](C)[NH2+]C ZINC000086972816 179371621 /nfs/dbraw/zinc/37/16/21/179371621.db2.gz FOXFNJZDCCVNBF-GFCCVEGCSA-N 1 0 285.409 2.171 10 0 CEAERO CCS(=O)(=O)CCC[C@@](C)([NH3+])c1ccccc1C ZINC000086977331 179372018 /nfs/dbraw/zinc/37/20/18/179372018.db2.gz NZEVUAZWANHOSK-CQSZACIVSA-N 1 0 269.410 2.384 10 0 CEAERO CCS(=O)(=O)CCC[C@](C)([NH3+])c1cccc(OC)c1 ZINC000086977385 179372204 /nfs/dbraw/zinc/37/22/04/179372204.db2.gz KRKFMWMUDWHCCA-AWEZNQCLSA-N 1 0 285.409 2.084 10 0 CEAERO CCS(=O)(=O)CCC[C@@H](Cc1ccc(F)cc1)[NH2+]C ZINC000086978829 179372356 /nfs/dbraw/zinc/37/23/56/179372356.db2.gz UGJYUDJLTQHEAN-AWEZNQCLSA-N 1 0 287.400 2.171 10 0 CEAERO OC1(C[NH2+][C@H]2CCN(Cc3ccccc3)C2)CCCC1 ZINC000087015845 179379992 /nfs/dbraw/zinc/37/99/92/179379992.db2.gz XQPXLOHQYFBFCR-INIZCTEOSA-N 1 0 274.408 2.156 10 0 CEAERO CC[C@](C)(O)C[NH2+]CC(=O)Nc1cccc(Cl)c1 ZINC000087028090 179382035 /nfs/dbraw/zinc/38/20/35/179382035.db2.gz SUQCBTVUHPKGHS-ZDUSSCGKSA-N 1 0 270.760 2.029 10 0 CEAERO CCOc1cc(C[NH2+]CC2(O)CCCC2)ccc1O ZINC000087016292 179380427 /nfs/dbraw/zinc/38/04/27/179380427.db2.gz ZCYRGCIHVORUPH-UHFFFAOYSA-N 1 0 265.353 2.186 10 0 CEAERO Cc1nn(C)c(C)c1[C@H](C)[NH2+]CC1(O)CCCCC1 ZINC000087017432 179380657 /nfs/dbraw/zinc/38/06/57/179380657.db2.gz IKBOQNRPBMIOJD-NSHDSACASA-N 1 0 265.401 2.383 10 0 CEAERO CC[C@H]([NH3+])CNC(=O)c1cc(C)c(Br)s1 ZINC000087018540 179381439 /nfs/dbraw/zinc/38/14/39/179381439.db2.gz JSFKFFWUGZJFMK-ZETCQYMHSA-N 1 0 291.214 2.286 10 0 CEAERO CCC(O)(CC)C[NH2+]CC(=O)Nc1ccc(Cl)cc1 ZINC000087028541 179381645 /nfs/dbraw/zinc/38/16/45/179381645.db2.gz LTRRECVRURLVOQ-UHFFFAOYSA-N 1 0 284.787 2.419 10 0 CEAERO CC[NH2+][C@@H](Cc1cccs1)[C@@H]1CSCCO1 ZINC000086989159 179374409 /nfs/dbraw/zinc/37/44/09/179374409.db2.gz NOOQXKXYXJIJQY-RYUDHWBXSA-N 1 0 257.424 2.401 10 0 CEAERO C[NH2+]C[C@H]1CCCN(C)[C@@H]1c1ccc(OC)c(F)c1 ZINC000086994655 179376013 /nfs/dbraw/zinc/37/60/13/179376013.db2.gz QWQUOIANXXWSDM-IUODEOHRSA-N 1 0 266.360 2.437 10 0 CEAERO COc1ccc([C@H]2[C@@H]([NH3+])CCC(=O)N2C(C)C)cc1F ZINC000086995179 179376145 /nfs/dbraw/zinc/37/61/45/179376145.db2.gz MKJPMHPZEUPUMN-WFASDCNBSA-N 1 0 280.343 2.234 10 0 CEAERO COc1ccc([C@H]2[C@H](C[NH3+])CCCN2C)cc1F ZINC000086994638 179376213 /nfs/dbraw/zinc/37/62/13/179376213.db2.gz VZFCSRQMYVSDNP-FZMZJTMJSA-N 1 0 252.333 2.176 10 0 CEAERO CCCN1C(=O)CC[C@H]([NH3+])[C@@H]1c1ccc(OC)c(F)c1 ZINC000086995169 179376230 /nfs/dbraw/zinc/37/62/30/179376230.db2.gz RZPUSZKNRLRIDG-WFASDCNBSA-N 1 0 280.343 2.235 10 0 CEAERO COc1ccc([C@@H](O)Cc2c[nH+]ccc2N)cc1F ZINC000086994321 179376263 /nfs/dbraw/zinc/37/62/63/179376263.db2.gz OKLBGEFRCSZRMA-ZDUSSCGKSA-N 1 0 262.284 2.088 10 0 CEAERO C[C@@H]1CCC[C@H](CNC(=O)c2c(F)cc(F)cc2F)[NH2+]1 ZINC000086996402 179376904 /nfs/dbraw/zinc/37/69/04/179376904.db2.gz TWJAUMVVVMVHTH-PSASIEDQSA-N 1 0 286.297 2.364 10 0 CEAERO Cc1ncc(C[NH2+]CC2(O)CCC(C)(C)CC2)[nH]1 ZINC000087048222 179388232 /nfs/dbraw/zinc/38/82/32/179388232.db2.gz ZKANJSAIYKSGEP-UHFFFAOYSA-N 1 0 251.374 2.139 10 0 CEAERO CC[NH2+]CCC(=O)Nc1cc(Br)ccc1O ZINC000087049124 179388769 /nfs/dbraw/zinc/38/87/69/179388769.db2.gz DLRPOOKQFMXYKH-UHFFFAOYSA-N 1 0 287.157 2.093 10 0 CEAERO CC[NH2+]C[C@H](O[C@@H]1CCOC1)c1ccccc1F ZINC000104122082 185898887 /nfs/dbraw/zinc/89/88/87/185898887.db2.gz WOECUMUPOMFSPY-RISCZKNCSA-N 1 0 253.317 2.282 10 0 CEAERO CCSC[C@H]([NH3+])Cc1ncc(C)c(OC)c1C ZINC000087105621 179394619 /nfs/dbraw/zinc/39/46/19/179394619.db2.gz CQUKNQFTJZWFEV-LLVKDONJSA-N 1 0 254.399 2.330 10 0 CEAERO CCSCc1noc([C@@H]2CCCN2C2CC[NH2+]CC2)n1 ZINC000087105233 179394700 /nfs/dbraw/zinc/39/47/00/179394700.db2.gz WCURNLRDNKGKLC-LBPRGKRZSA-N 1 0 296.440 2.212 10 0 CEAERO CCSCc1noc([C@@]2(CC)CCC[NH2+]C2)n1 ZINC000087105179 179394878 /nfs/dbraw/zinc/39/48/78/179394878.db2.gz BWXVQPPVOXWHNA-LBPRGKRZSA-N 1 0 255.387 2.354 10 0 CEAERO CC[NH2+]CCc1c(C)nc(CSCC)nc1C ZINC000087106521 179394981 /nfs/dbraw/zinc/39/49/81/179394981.db2.gz JMLDJIRUPSHAOX-UHFFFAOYSA-N 1 0 253.415 2.499 10 0 CEAERO CCC1CCC(O)(C[NH2+][C@H]2CN3CCC2CC3)CC1 ZINC000087061377 179389527 /nfs/dbraw/zinc/38/95/27/179389527.db2.gz IBQSXPBZPIYFOE-SIWZUTFBSA-N 1 0 266.429 2.002 10 0 CEAERO CCC1CCC(O)(C[NH2+]C[C@H]2CCCCN2C)CC1 ZINC000087061246 179389565 /nfs/dbraw/zinc/38/95/65/179389565.db2.gz XIUZYBZLUVOGCT-HWOWSKLDSA-N 1 0 268.445 2.392 10 0 CEAERO CCCSCc1nc(C[NH2+]CC(C)C)cc(=O)[nH]1 ZINC000087108475 179395696 /nfs/dbraw/zinc/39/56/96/179395696.db2.gz ULRKVVNSIWFZES-UHFFFAOYSA-N 1 0 269.414 2.159 10 0 CEAERO CCC[C@]1(C(=O)NCC2(O)CCCCCC2)CCC[NH2+]C1 ZINC000087089953 179393481 /nfs/dbraw/zinc/39/34/81/179393481.db2.gz NIFFOJVFEZSATA-INIZCTEOSA-N 1 0 296.455 2.358 10 0 CEAERO C[C@]1(C(=O)OCc2ccc(Cl)cc2)CC[NH2+]C1 ZINC000087090889 179394146 /nfs/dbraw/zinc/39/41/46/179394146.db2.gz MXOVTTTZWBIKHN-ZDUSSCGKSA-N 1 0 253.729 2.383 10 0 CEAERO C(SC1CCCC1)c1noc([C@@H]2CC[NH2+]C2)n1 ZINC000087142419 179397288 /nfs/dbraw/zinc/39/72/88/179397288.db2.gz HIAFTHZMQMXLDQ-SECBINFHSA-N 1 0 253.371 2.322 10 0 CEAERO C[NH2+][C@@H](CSCC(C)C)Cc1ccnc(N)c1 ZINC000087122982 179395879 /nfs/dbraw/zinc/39/58/79/179395879.db2.gz DXBWXWVMXJJZMM-GFCCVEGCSA-N 1 0 253.415 2.184 10 0 CEAERO C[NH2+]Cc1cc(Br)ccc1O[C@@H](C)[C@@H](C)O ZINC000087125416 179395938 /nfs/dbraw/zinc/39/59/38/179395938.db2.gz AGPZQBBECGAYRB-BDAKNGLRSA-N 1 0 288.185 2.317 10 0 CEAERO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cccc(C(C)(C)C)c1 ZINC000067173413 362902882 /nfs/dbraw/zinc/90/28/82/362902882.db2.gz ASYIWHODKQJHNQ-KGLIPLIRSA-N 1 0 261.365 2.460 10 0 CEAERO COCC[NH2+]CC1CCN(c2nc(C)c(C)s2)CC1 ZINC000087303216 179409942 /nfs/dbraw/zinc/40/99/42/179409942.db2.gz IDOBFJDGASLXTP-UHFFFAOYSA-N 1 0 283.441 2.212 10 0 CEAERO CCC[NH2+]CCc1nnc(-c2csc(C)n2)o1 ZINC000087429641 179425203 /nfs/dbraw/zinc/42/52/03/179425203.db2.gz PCIPNAWHZBHFSR-UHFFFAOYSA-N 1 0 252.343 2.044 10 0 CEAERO C[C@H](O)C[N@@H+]1CCN(Cc2cccc3cnccc32)C[C@H]1C ZINC000248393916 539632992 /nfs/dbraw/zinc/63/29/92/539632992.db2.gz XJRSRLRMYPRMJR-CABCVRRESA-N 1 0 299.418 2.122 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCc2ccc(F)cc21 ZINC000232680566 539633160 /nfs/dbraw/zinc/63/31/60/539633160.db2.gz HHMIAHUQJPPCGF-LBPRGKRZSA-N 1 0 250.317 2.088 10 0 CEAERO Cc1cccnc1-c1noc(C(C)(C)C(C)(C)[NH3+])n1 ZINC000087621708 179457439 /nfs/dbraw/zinc/45/74/39/179457439.db2.gz XUNYKTQOQGEITD-UHFFFAOYSA-N 1 0 260.341 2.455 10 0 CEAERO C[C@H](CC[NH3+])C(=O)NCc1ccc(Br)s1 ZINC000087635732 179460433 /nfs/dbraw/zinc/46/04/33/179460433.db2.gz SCEDBMQMXYNJHM-SSDOTTSWSA-N 1 0 291.214 2.112 10 0 CEAERO CN(c1nc(C(C)(C)C)ns1)[C@@H]1CCC[NH2+]C1 ZINC000087642692 179462166 /nfs/dbraw/zinc/46/21/66/179462166.db2.gz GWZVRRYODLPIAS-SECBINFHSA-N 1 0 254.403 2.024 10 0 CEAERO C[NH2+][C@@H]1CCCN(c2nc(C(C)(C)C)ns2)C1 ZINC000087642511 179462291 /nfs/dbraw/zinc/46/22/91/179462291.db2.gz RBMQWGYDJKFHIN-SECBINFHSA-N 1 0 254.403 2.024 10 0 CEAERO [NH3+]C1CC(Nc2cc(Br)ccc2F)C1 ZINC000087651355 179463749 /nfs/dbraw/zinc/46/37/49/179463749.db2.gz OVDCYYPYCWBCKY-UHFFFAOYSA-N 1 0 259.122 2.490 10 0 CEAERO c1oc(-c2cccc3c2OCCO3)nc1C[NH2+]C1CC1 ZINC000087681115 179469596 /nfs/dbraw/zinc/46/95/96/179469596.db2.gz KCKPQCLTXGSBIV-UHFFFAOYSA-N 1 0 272.304 2.365 10 0 CEAERO C[C@H]([NH3+])CCC[C@H](C)C(=O)Nc1cccc(CO)c1 ZINC000087693840 179471236 /nfs/dbraw/zinc/47/12/36/179471236.db2.gz ZWPXQOOWKAZLHS-RYUDHWBXSA-N 1 0 264.369 2.271 10 0 CEAERO C[C@H](CCC[C@H](C)[NH3+])C(=O)N1CCCSCC1 ZINC000087699839 179472989 /nfs/dbraw/zinc/47/29/89/179472989.db2.gz NMFJQRAQZQCNHB-NEPJUHHUSA-N 1 0 258.431 2.106 10 0 CEAERO CCOc1ccc([C@@H]([NH3+])CC(C)(C)C(N)=O)cc1OCC ZINC000087721385 179477184 /nfs/dbraw/zinc/47/71/84/179477184.db2.gz RVEWCPNERXUWCR-LBPRGKRZSA-N 1 0 294.395 2.385 10 0 CEAERO O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CCC[C@H]2CCC[C@H]21 ZINC000087770684 179484005 /nfs/dbraw/zinc/48/40/05/179484005.db2.gz IUVAMRWALQRKFD-KBRIMQKVSA-N 1 0 284.403 2.492 10 0 CEAERO CC[NH+]1CCN(c2ccc(NC=O)c(OC(C)C)c2)CC1 ZINC000616220644 348462213 /nfs/dbraw/zinc/46/22/13/348462213.db2.gz DMYWMWZUARARMJ-UHFFFAOYSA-N 1 0 291.395 2.184 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N[C@H](C)c1cc(F)ccc1OC ZINC000087522058 179439640 /nfs/dbraw/zinc/43/96/40/179439640.db2.gz AGDBHKNWHMZSIJ-GHMZBOCLSA-N 1 0 282.359 2.387 10 0 CEAERO CCC(=O)Nc1cccc(NC(=O)[C@@H](CC)C[NH3+])c1C ZINC000087522281 179440303 /nfs/dbraw/zinc/44/03/03/179440303.db2.gz VXYYNNFWYNSIKJ-NSHDSACASA-N 1 0 277.368 2.267 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)N(Cc1cccnc1)C(C)C ZINC000087527484 179441055 /nfs/dbraw/zinc/44/10/55/179441055.db2.gz FJPWSPFKKNUQQV-AWEZNQCLSA-N 1 0 263.385 2.194 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)N(C)Cc1cccc(Br)c1 ZINC000087528766 179441378 /nfs/dbraw/zinc/44/13/78/179441378.db2.gz ZESNSMLYGWCXLG-NSHDSACASA-N 1 0 299.212 2.392 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)N[C@@H](C)c1ccccc1OC ZINC000087532298 179441830 /nfs/dbraw/zinc/44/18/30/179441830.db2.gz NKBIAIJMGJGOSI-RYUDHWBXSA-N 1 0 264.369 2.247 10 0 CEAERO CCC[NH2+][C@@](C)(CC(=O)OCC)c1cccnc1 ZINC000087550919 179445284 /nfs/dbraw/zinc/44/52/84/179445284.db2.gz RHLSRWGQJMHJRP-AWEZNQCLSA-N 1 0 250.342 2.250 10 0 CEAERO CCC[NH2+][C@]1(CC(=O)OCC)CCOC(C)(C)C1 ZINC000087551094 179445472 /nfs/dbraw/zinc/44/54/72/179445472.db2.gz CQKXIRHIXKHTJX-AWEZNQCLSA-N 1 0 257.374 2.267 10 0 CEAERO CC[NH2+][C@@](C)(CCO)c1ccccc1OC(F)F ZINC000087564158 179446793 /nfs/dbraw/zinc/44/67/93/179446793.db2.gz FQRDUEQNAUORJY-ZDUSSCGKSA-N 1 0 259.296 2.495 10 0 CEAERO [NH3+][C@@H]1CCCN(c2sccc2Br)C1 ZINC000087570945 179447683 /nfs/dbraw/zinc/44/76/83/179447683.db2.gz AHYGDYRFGDJTPP-SSDOTTSWSA-N 1 0 261.188 2.438 10 0 CEAERO CCC[NH2+]CC(=O)NCc1sccc1Br ZINC000087575684 179448524 /nfs/dbraw/zinc/44/85/24/179448524.db2.gz XZCFAGJWRCXPGP-UHFFFAOYSA-N 1 0 291.214 2.126 10 0 CEAERO CCCc1nc(NCc2ccsc2)cc(NN)[nH+]1 ZINC000087908076 179517203 /nfs/dbraw/zinc/51/72/03/179517203.db2.gz YMAINPASXFWVPE-UHFFFAOYSA-N 1 0 263.370 2.388 10 0 CEAERO CC(C)(C)[N@@H+]1CCN[C@@H](c2cc3ccccc3nn2)C1 ZINC000616632662 348541580 /nfs/dbraw/zinc/54/15/80/348541580.db2.gz WHQRBCMYPNDGCN-OAHLLOKOSA-N 1 0 270.380 2.375 10 0 CEAERO Cn1cc([C@H](C[NH3+])Nc2cccc(Br)c2)cn1 ZINC000087915078 179521589 /nfs/dbraw/zinc/52/15/89/179521589.db2.gz ZJLCFWCYCCXPMI-LBPRGKRZSA-N 1 0 295.184 2.295 10 0 CEAERO c1n[nH]cc1[C@@H]1COCCC[N@H+]1Cc1ccccc1 ZINC000616647897 348546195 /nfs/dbraw/zinc/54/61/95/348546195.db2.gz OSJCFCBWAJVYOU-HNNXBMFYSA-N 1 0 257.337 2.373 10 0 CEAERO CCOC(=O)c1ccccc1[C@@H]1C[N@H+](C)CCCO1 ZINC000616651001 348547606 /nfs/dbraw/zinc/54/76/06/348547606.db2.gz KHZICNDBTATEGO-AWEZNQCLSA-N 1 0 263.337 2.257 10 0 CEAERO c1cn([C@H]2C[N@H+](Cc3ccccc3)CCCO2)cn1 ZINC000616652379 348548429 /nfs/dbraw/zinc/54/84/29/348548429.db2.gz WPBBUTFYDVVBHQ-OAHLLOKOSA-N 1 0 257.337 2.304 10 0 CEAERO CC(C)(C)OC(=O)NC[C@H]1CCOCC[N@@H+]1C(C)(C)C ZINC000616655614 348549915 /nfs/dbraw/zinc/54/99/15/348549915.db2.gz IAFGKRHBDKIAEN-GFCCVEGCSA-N 1 0 286.416 2.401 10 0 CEAERO CCOC(=O)c1cccc([C@H]2CCOCC[N@@H+]2C)c1 ZINC000616655299 348549950 /nfs/dbraw/zinc/54/99/50/348549950.db2.gz BONROUHYMRFCTR-CQSZACIVSA-N 1 0 263.337 2.257 10 0 CEAERO CC[C@H]1CCOCC[N@@H+]1CCNC(=O)OC(C)(C)C ZINC000616657753 348550516 /nfs/dbraw/zinc/55/05/16/348550516.db2.gz NYUDAGGQUVZMTP-LBPRGKRZSA-N 1 0 272.389 2.012 10 0 CEAERO CCC[NH2+][C@H](Cc1cccs1)[C@H]1COCCO1 ZINC000087858397 179502670 /nfs/dbraw/zinc/50/26/70/179502670.db2.gz KZDNANIGJNVSQL-CHWSQXEVSA-N 1 0 255.383 2.074 10 0 CEAERO CC[NH2+][C@@H](CCc1ccsc1)[C@@H]1COCCO1 ZINC000087858094 179503187 /nfs/dbraw/zinc/50/31/87/179503187.db2.gz NOPHEGLCGVEVHN-STQMWFEESA-N 1 0 255.383 2.074 10 0 CEAERO COc1ccc(-n2cc(C[NH3+])cn2)c(Br)c1 ZINC000616571699 348524352 /nfs/dbraw/zinc/52/43/52/348524352.db2.gz ZZUTUCASYXSVHI-UHFFFAOYSA-N 1 0 282.141 2.102 10 0 CEAERO CCn1cnc2cc(NC(=O)C[C@@H]3CCC[NH2+]C3)ccc21 ZINC000616576477 348525084 /nfs/dbraw/zinc/52/50/84/348525084.db2.gz UZBBNKVYHOCHDL-LBPRGKRZSA-N 1 0 286.379 2.384 10 0 CEAERO COC(=O)c1cnc(-c2ccccc2)nc1[C@@H]1CCC[NH2+]1 ZINC000616580024 348526258 /nfs/dbraw/zinc/52/62/58/348526258.db2.gz STIHXXAVCBPBLY-ZDUSSCGKSA-N 1 0 283.331 2.355 10 0 CEAERO Cc1c[nH+]c(NN)nc1N[C@@H](C)Cc1ccsc1 ZINC000087865432 179505166 /nfs/dbraw/zinc/50/51/66/179505166.db2.gz BEPRBFFKQALPFB-VIFPVBQESA-N 1 0 263.370 2.175 10 0 CEAERO CC[C@H]1CCCC[C@@H]1Nc1nc(NN)[nH+]cc1F ZINC000087865189 179505282 /nfs/dbraw/zinc/50/52/82/179505282.db2.gz CJDTYIRTKPVLPH-WPRPVWTQSA-N 1 0 253.325 2.282 10 0 CEAERO [NH3+]CCN1CC[C@H](c2ccncc2)c2ccccc21 ZINC000616587180 348526696 /nfs/dbraw/zinc/52/66/96/348526696.db2.gz FCNXEZINYQDBET-CQSZACIVSA-N 1 0 253.349 2.382 10 0 CEAERO NC(=O)c1ccc([C@@H]2CCc3ccccc3N2CC[NH3+])cc1 ZINC000616592757 348527821 /nfs/dbraw/zinc/52/78/21/348527821.db2.gz HPHQEFROIZNOMI-KRWDZBQOSA-N 1 0 295.386 2.238 10 0 CEAERO CC[N@@H+]1CCOC[C@@H](c2cnnc3ccccc32)C1 ZINC000616596745 348529043 /nfs/dbraw/zinc/52/90/43/348529043.db2.gz AOGJPXXXXPINEH-LBPRGKRZSA-N 1 0 257.337 2.066 10 0 CEAERO CC(C)(C)[N@@H+]1CCOC[C@@H](c2ccccc2CCO)C1 ZINC000616598753 348529935 /nfs/dbraw/zinc/52/99/35/348529935.db2.gz QXBYQWIKYXKROS-HNNXBMFYSA-N 1 0 277.408 2.436 10 0 CEAERO Cc1nc(Oc2ccc(F)cc2F)cc(NN)[nH+]1 ZINC000087881108 179509468 /nfs/dbraw/zinc/50/94/68/179509468.db2.gz AXHLKNASEHPQNO-UHFFFAOYSA-N 1 0 252.224 2.141 10 0 CEAERO CC(=O)Nc1ccccc1[C@@H]1CCCC[N@H+](CCO)C1 ZINC000616605026 348531953 /nfs/dbraw/zinc/53/19/53/348531953.db2.gz KGNVPBCLEZMSGS-CQSZACIVSA-N 1 0 276.380 2.207 10 0 CEAERO Cc1cc(Nc2c(F)cccc2F)nc(NN)[nH+]1 ZINC000087884911 179510974 /nfs/dbraw/zinc/51/09/74/179510974.db2.gz CIFFITDQYGSXPT-UHFFFAOYSA-N 1 0 251.240 2.092 10 0 CEAERO OCC[N@@H+]1CCCC[C@H]1c1cc2ccccc2nn1 ZINC000616616091 348534761 /nfs/dbraw/zinc/53/47/61/348534761.db2.gz GBCPIOSJQKOIPO-HNNXBMFYSA-N 1 0 257.337 2.149 10 0 CEAERO CCOC(=O)c1ccccc1[C@H]1CCCCN1CC[NH3+] ZINC000616615011 348534842 /nfs/dbraw/zinc/53/48/42/348534842.db2.gz PNRKPGGPWFWMGU-OAHLLOKOSA-N 1 0 276.380 2.349 10 0 CEAERO CCc1c(NN)[nH+]cnc1N(CC)C[C@@H](C)CC ZINC000087893477 179514747 /nfs/dbraw/zinc/51/47/47/179514747.db2.gz XJGPPQLLTJQXMR-JTQLQIEISA-N 1 0 251.378 2.197 10 0 CEAERO [NH3+]CCC[S@](=O)Cc1cccc(Br)c1 ZINC000088066822 179543961 /nfs/dbraw/zinc/54/39/61/179543961.db2.gz QGMMQOVFJZHMCZ-CQSZACIVSA-N 1 0 276.199 2.047 10 0 CEAERO CC[C@@H]([NH3+])C[S@@](=O)Cc1c(F)cccc1Cl ZINC000088072959 179544827 /nfs/dbraw/zinc/54/48/27/179544827.db2.gz AHTIODPFXHNTCW-BCTVWOGZSA-N 1 0 263.765 2.465 10 0 CEAERO C[C@H](C[NH3+])C[S@@](=O)Cc1cccc(Br)c1 ZINC000088089751 179547373 /nfs/dbraw/zinc/54/73/73/179547373.db2.gz KWDXFHLRSXRIPH-PSLIRLAXSA-N 1 0 290.226 2.293 10 0 CEAERO C[C@H](C[NH3+])C[S@@](=O)Cc1cc(Br)cs1 ZINC000088089555 179547388 /nfs/dbraw/zinc/54/73/88/179547388.db2.gz QPEPVJRENPIOBQ-UOWDBTKRSA-N 1 0 296.255 2.354 10 0 CEAERO CC(C)C[C@@H](CO)[NH2+]CCc1ccc2c(c1)CCO2 ZINC000088101431 179547937 /nfs/dbraw/zinc/54/79/37/179547937.db2.gz MZFARKRMDUUDCP-HNNXBMFYSA-N 1 0 263.381 2.161 10 0 CEAERO CCN(C(=O)CN1CC[NH2+]CC1(C)C)c1ccccc1C ZINC000088146901 179556265 /nfs/dbraw/zinc/55/62/65/179556265.db2.gz IIXSFHMMBNBZHR-UHFFFAOYSA-N 1 0 289.423 2.032 10 0 CEAERO CC[N@@H+]1CCOC[C@@H](c2ccc(NC(C)=O)cc2)C1 ZINC000616661212 348552736 /nfs/dbraw/zinc/55/27/36/348552736.db2.gz MFGWAYVQIRZQDH-AWEZNQCLSA-N 1 0 262.353 2.081 10 0 CEAERO CC[N@@H+]1CCOC[C@H](c2cc3ccccc3nn2)C1 ZINC000616661991 348552854 /nfs/dbraw/zinc/55/28/54/348552854.db2.gz XSFQZXAXKSNLKI-CYBMUJFWSA-N 1 0 257.337 2.066 10 0 CEAERO CN(C(=O)OC(C)(C)C)[C@@H]1COCC[N@@H+](C(C)(C)C)C1 ZINC000616661776 348553048 /nfs/dbraw/zinc/55/30/48/348553048.db2.gz YBHWAZCDSDVOCJ-LBPRGKRZSA-N 1 0 286.416 2.353 10 0 CEAERO c1ccc(C[N@@H+]2CCO[C@@H](c3cccnn3)CC2)cc1 ZINC000616663934 348554819 /nfs/dbraw/zinc/55/48/19/348554819.db2.gz WQSNGMHAMIDZBW-MRXNPFEDSA-N 1 0 269.348 2.440 10 0 CEAERO NC(=O)c1ccc([C@@H]2CCN(CC[NH3+])c3ccccc32)cc1 ZINC000616675997 348557554 /nfs/dbraw/zinc/55/75/54/348557554.db2.gz VOGWBQVBVOWCGJ-HNNXBMFYSA-N 1 0 295.386 2.086 10 0 CEAERO C[NH2+][C@](C)(CCCC[N@H+](C)CCc1ccccc1)C(=O)[O-] ZINC000088203631 179565852 /nfs/dbraw/zinc/56/58/52/179565852.db2.gz MAUSHTMAMMBUPS-QGZVFWFLSA-N 1 0 292.423 2.394 10 0 CEAERO CC[N@@H+]1CCO[C@H](c2ccc3ccnnc3c2)CC1 ZINC000616687294 348560728 /nfs/dbraw/zinc/56/07/28/348560728.db2.gz SJVRGVKSVJNTKV-HNNXBMFYSA-N 1 0 257.337 2.413 10 0 CEAERO C[C@H]1CC[C@H](c2noc(COC3CC[NH2+]CC3)n2)C1 ZINC000087971161 179530376 /nfs/dbraw/zinc/53/03/76/179530376.db2.gz ZVXRWUSHQJOBPH-QWRGUYRKSA-N 1 0 265.357 2.242 10 0 CEAERO COc1ccc(OCCN2C[C@@H](C3CC3)[NH2+]C[C@@H]2C)cc1 ZINC000088415605 179596012 /nfs/dbraw/zinc/59/60/12/179596012.db2.gz JSOMHWUFRVJDSC-GUYCJALGSA-N 1 0 290.407 2.146 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H](C(=O)NCCC2CCCCC2)C1 ZINC000088450047 179605823 /nfs/dbraw/zinc/60/58/23/179605823.db2.gz BIGDYKGJTRXFTA-GXTWGEPZSA-N 1 0 252.402 2.319 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H](C(=O)Nc2cc(F)c(F)cc2F)C1 ZINC000088450983 179606604 /nfs/dbraw/zinc/60/66/04/179606604.db2.gz NDEDTUIPGODSGR-SFYZADRCSA-N 1 0 272.270 2.288 10 0 CEAERO CC(C)C[C@@H](C[NH3+])CC(=O)N[C@H](C)c1nccs1 ZINC000088289683 179575599 /nfs/dbraw/zinc/57/55/99/179575599.db2.gz MSVPUWGVGVIFTA-GHMZBOCLSA-N 1 0 269.414 2.331 10 0 CEAERO CCCCSC[C@H](O)[C@H]([NH3+])Cc1ccccc1 ZINC000088398382 179592196 /nfs/dbraw/zinc/59/21/96/179592196.db2.gz NXNYLAYTJCVZEK-KGLIPLIRSA-N 1 0 253.411 2.451 10 0 CEAERO CC[NH2+][C@H](Cc1ncnn1C)Cc1ccccc1Cl ZINC000088581961 179629182 /nfs/dbraw/zinc/62/91/82/179629182.db2.gz CAWFARFCYMCXNX-LBPRGKRZSA-N 1 0 278.787 2.232 10 0 CEAERO CC[NH2+][C@@H](Cc1ncnn1C)c1cc(F)ccc1C ZINC000088582019 179629234 /nfs/dbraw/zinc/62/92/34/179629234.db2.gz IZEZZWUWKWYWQU-ZDUSSCGKSA-N 1 0 262.332 2.156 10 0 CEAERO C[NH2+][C@H](Cc1ncnn1C)C12CC3CC(CC(C3)C1)C2 ZINC000088582082 179629350 /nfs/dbraw/zinc/62/93/50/179629350.db2.gz NQGQKBYMPCJJKV-MHCOZEDOSA-N 1 0 274.412 2.162 10 0 CEAERO C[NH2+][C@@H](Cc1ncnn1C)c1ccc(Cl)cc1F ZINC000088582181 179629535 /nfs/dbraw/zinc/62/95/35/179629535.db2.gz JVBWLNHWZRYAFM-NSHDSACASA-N 1 0 268.723 2.111 10 0 CEAERO CCCn1ncnc1C[C@@]1([NH3+])CCc2ccccc21 ZINC000088606851 179636793 /nfs/dbraw/zinc/63/67/93/179636793.db2.gz CDICGQDTIGKBTE-HNNXBMFYSA-N 1 0 256.353 2.031 10 0 CEAERO CC[NH2+][C@@H](Cc1ncnn1CC)Cc1ccccc1F ZINC000088611094 179638605 /nfs/dbraw/zinc/63/86/05/179638605.db2.gz GHHXQOKFQVSKIL-CYBMUJFWSA-N 1 0 276.359 2.200 10 0 CEAERO CCn1ncnc1C[C@H]([NH3+])c1ccccc1Br ZINC000088611199 179638695 /nfs/dbraw/zinc/63/86/95/179638695.db2.gz AVYVCMCUBQRRSG-NSHDSACASA-N 1 0 295.184 2.303 10 0 CEAERO CCCn1ncnc1C[C@H]([NH2+]CC)c1cccc(C)n1 ZINC000088612251 179639370 /nfs/dbraw/zinc/63/93/70/179639370.db2.gz YNBLJEAYALNRHW-AWEZNQCLSA-N 1 0 273.384 2.285 10 0 CEAERO CCCn1ncnc1C[C@@H]([NH2+]C)C1Cc2ccccc2C1 ZINC000088616931 179639833 /nfs/dbraw/zinc/63/98/33/179639833.db2.gz YQMMAMNHWRCQJP-MRXNPFEDSA-N 1 0 284.407 2.234 10 0 CEAERO CCCn1ncnc1C[C@@H]([NH3+])[C@@H]1CCc2ccccc2C1 ZINC000088617008 179639915 /nfs/dbraw/zinc/63/99/15/179639915.db2.gz GBVRISGASHMPEQ-HZPDHXFCSA-N 1 0 284.407 2.363 10 0 CEAERO CCCn1ncnc1C[C@H](C[NH2+]CCOC)CC(C)C ZINC000088621539 179641187 /nfs/dbraw/zinc/64/11/87/179641187.db2.gz LLKPFGPVPNZFFW-CQSZACIVSA-N 1 0 282.432 2.129 10 0 CEAERO CC(C)n1ncnc1CN1C[C@H](C)[NH2+]CC12CCCCC2 ZINC000088625080 179641730 /nfs/dbraw/zinc/64/17/30/179641730.db2.gz MKEQESLHDVDNOR-AWEZNQCLSA-N 1 0 291.443 2.356 10 0 CEAERO Cc1cc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)ccc1Cl ZINC000130443800 365957729 /nfs/dbraw/zinc/95/77/29/365957729.db2.gz HGJBCBXOAPBLPY-ZDUSSCGKSA-N 1 0 296.798 2.051 10 0 CEAERO CC[C@]1(C(=O)Nc2c(F)cc(F)cc2F)CC[NH2+]C1 ZINC000088721249 179658220 /nfs/dbraw/zinc/65/82/20/179658220.db2.gz DVMJBVVRJFJNHR-ZDUSSCGKSA-N 1 0 272.270 2.432 10 0 CEAERO CCc1nc(CC)n([C@H](c2ccc(C)o2)[C@H](C)[NH3+])n1 ZINC000088739987 179662094 /nfs/dbraw/zinc/66/20/94/179662094.db2.gz XUJMVYYDYRIVGA-HZMBPMFUSA-N 1 0 262.357 2.241 10 0 CEAERO CC(C)[NH2+]Cc1cccc(CS(=O)(=O)N[C@H]2C[C@H]2C)c1 ZINC000089023922 179691787 /nfs/dbraw/zinc/69/17/87/179691787.db2.gz RZZAGBCMYCHNRB-DOMZBBRYSA-N 1 0 296.436 2.012 10 0 CEAERO [NH3+]C1CCC(C(=O)N2CCC(C(F)(F)F)CC2)CC1 ZINC000088420740 539673442 /nfs/dbraw/zinc/67/34/42/539673442.db2.gz RNKKIZZTKNEYSG-UHFFFAOYSA-N 1 0 278.318 2.305 10 0 CEAERO c1cc2c(cn1)nc(C[C@@H]1CCC[NH2+]C1)n2C1CC1 ZINC000088866089 179684854 /nfs/dbraw/zinc/68/48/54/179684854.db2.gz QQZBZEVLMVCLRN-NSHDSACASA-N 1 0 256.353 2.308 10 0 CEAERO Cc1nn(CCOC(F)(F)F)c(C)c1C[NH2+]C1CC1 ZINC000089055947 179695000 /nfs/dbraw/zinc/69/50/00/179695000.db2.gz LPJQHLQCWARMDQ-UHFFFAOYSA-N 1 0 277.290 2.288 10 0 CEAERO C[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1CCOC(F)(F)F ZINC000089057103 179695085 /nfs/dbraw/zinc/69/50/85/179695085.db2.gz AIIUSMQVVIOOOG-ZJUUUORDSA-N 1 0 268.323 2.231 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C(C)C)CN1CCOC(F)(F)F ZINC000089056791 179695116 /nfs/dbraw/zinc/69/51/16/179695116.db2.gz UGFXVIQBNPJFLN-WDEREUQCSA-N 1 0 268.323 2.231 10 0 CEAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1ccncc1Cl ZINC000088781487 539685176 /nfs/dbraw/zinc/68/51/76/539685176.db2.gz FJGLREWWCBBSAO-AAEUAGOBSA-N 1 0 254.761 2.376 10 0 CEAERO CCNC(=O)c1cccc(N[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000089141608 179720031 /nfs/dbraw/zinc/72/00/31/179720031.db2.gz KMYQAXQPIHZRFA-UKRRQHHQSA-N 1 0 275.396 2.366 10 0 CEAERO [NH3+]CCc1c(N2CCCCCC2)nc2sccn12 ZINC000104272274 185951013 /nfs/dbraw/zinc/95/10/13/185951013.db2.gz LSVOQCVKCBZBGH-UHFFFAOYSA-N 1 0 264.398 2.277 10 0 CEAERO CN(C(=O)c1cccs1)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089118758 179711097 /nfs/dbraw/zinc/71/10/97/179711097.db2.gz HDYFIUGTOBXJOD-WDEREUQCSA-N 1 0 252.383 2.338 10 0 CEAERO CC(C)CN(C)c1nc2sccn2c1C[C@@H](C)[NH3+] ZINC000104280289 185953403 /nfs/dbraw/zinc/95/34/03/185953403.db2.gz ZNFGDXWOKJXMCS-SNVBAGLBSA-N 1 0 266.414 2.378 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1Nc1ccc(-n2cccn2)cc1 ZINC000089148640 179724893 /nfs/dbraw/zinc/72/48/93/179724893.db2.gz LLPKXYLOZYVQOR-SWLSCSKDSA-N 1 0 256.353 2.412 10 0 CEAERO COC(=O)Nc1ccc(N[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089149285 179725269 /nfs/dbraw/zinc/72/52/69/179725269.db2.gz YYEJEOAPHWBINV-MFKMUULPSA-N 1 0 263.341 2.404 10 0 CEAERO C[C@H]1C[NH2+][C@H](C2CC2)CN1Cc1nn(C)c2ccccc12 ZINC000089180323 179744807 /nfs/dbraw/zinc/74/48/07/179744807.db2.gz BXQVBDITOJFMSO-WFASDCNBSA-N 1 0 284.407 2.146 10 0 CEAERO C[C@H]1C[C@@H](O)C[N@H+](CCOc2cccc(Cl)c2)C1 ZINC000401723933 233184405 /nfs/dbraw/zinc/18/44/05/233184405.db2.gz ZJZRVWWNTYGVDE-WCQYABFASA-N 1 0 269.772 2.422 10 0 CEAERO CCC[NH2+][C@H](Cc1cc(CC)nn1C)[C@H](C)OCC ZINC000089198347 179751811 /nfs/dbraw/zinc/75/18/11/179751811.db2.gz KOLIBBQXGUOLIG-SWLSCSKDSA-N 1 0 267.417 2.318 10 0 CEAERO CCn1nc(C)cc1C[C@@H]([NH3+])C1Cc2ccccc2C1 ZINC000089200958 179752170 /nfs/dbraw/zinc/75/21/70/179752170.db2.gz CXRWAPYQMOULAK-QGZVFWFLSA-N 1 0 269.392 2.496 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000089449204 539716302 /nfs/dbraw/zinc/71/63/02/539716302.db2.gz DNOSJVGCNUQSQX-PSASIEDQSA-N 1 0 298.289 2.322 10 0 CEAERO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089449247 539716348 /nfs/dbraw/zinc/71/63/48/539716348.db2.gz DZNWFUOANDTDGK-NWDGAFQWSA-N 1 0 262.353 2.317 10 0 CEAERO CCOc1cccc(CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000089454399 539716721 /nfs/dbraw/zinc/71/67/21/539716721.db2.gz OBXXZJGUHLKODL-DZGCQCFKSA-N 1 0 276.380 2.077 10 0 CEAERO COc1cccc(C[C@H](C[NH3+])Cc2cc(C)nn2C)c1 ZINC000089205536 179753394 /nfs/dbraw/zinc/75/33/94/179753394.db2.gz LQCMFQPTRAVZTI-AWEZNQCLSA-N 1 0 273.380 2.097 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCCSc1ccccc1 ZINC000089458062 539717512 /nfs/dbraw/zinc/71/75/12/539717512.db2.gz CYTLNZFJXKSMJM-GXTWGEPZSA-N 1 0 278.421 2.270 10 0 CEAERO CC[C@@H](C[NH2+]CCOC)Cc1cc(C)nn1CC ZINC000089206343 179754223 /nfs/dbraw/zinc/75/42/23/179754223.db2.gz PBDKKGXGYSNVEI-CYBMUJFWSA-N 1 0 253.390 2.016 10 0 CEAERO CCn1nc(C)cc1CN1CC(C)(C)[NH2+]C[C@H]1C1CC1 ZINC000089209515 179755055 /nfs/dbraw/zinc/75/50/55/179755055.db2.gz VDUFFYFRJRXTTH-HNNXBMFYSA-N 1 0 276.428 2.174 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C(C)(C)C)CN1Cc1cc(C)nn1C ZINC000089209984 179755250 /nfs/dbraw/zinc/75/52/50/179755250.db2.gz RIEMQVPODAZRCZ-ZFWWWQNUSA-N 1 0 278.444 2.327 10 0 CEAERO C[C@@]1(CNc2cnc3ccccc3n2)CCC[NH2+]C1 ZINC000129417346 187430585 /nfs/dbraw/zinc/43/05/85/187430585.db2.gz MDTPHJPAICMXJW-OAHLLOKOSA-N 1 0 256.353 2.431 10 0 CEAERO CCn1nc(C)c(Cl)c1CN1CC[NH2+][C@@H](C(C)C)C1 ZINC000089304446 179767226 /nfs/dbraw/zinc/76/72/26/179767226.db2.gz BIQKLLCXKURBGL-GFCCVEGCSA-N 1 0 284.835 2.295 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCC(C(F)(F)F)CC1 ZINC000089482498 539719943 /nfs/dbraw/zinc/71/99/43/539719943.db2.gz CTQXIQKZTQCCBW-GXSJLCMTSA-N 1 0 278.318 2.162 10 0 CEAERO CCc1nn(CC)c(CN(CC)[C@H]2CC[NH2+]C2)c1Cl ZINC000089353418 179772380 /nfs/dbraw/zinc/77/23/80/179772380.db2.gz QOZZZLJUFGBKOF-NSHDSACASA-N 1 0 284.835 2.303 10 0 CEAERO CC1(C)CCCN(C(=O)[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000089400184 179781251 /nfs/dbraw/zinc/78/12/51/179781251.db2.gz JRDDFAVWUITRSX-CHWSQXEVSA-N 1 0 252.402 2.400 10 0 CEAERO COC(=O)Nc1cccc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000089454743 179793500 /nfs/dbraw/zinc/79/35/00/179793500.db2.gz MJHOCMBUBKZAGE-GXFFZTMASA-N 1 0 291.351 2.178 10 0 CEAERO CCc1nsc(NC[C@H]2CCCC[C@H]2C[NH3+])n1 ZINC000089532716 179811976 /nfs/dbraw/zinc/81/19/76/179811976.db2.gz VWSNZSDABNSKNG-VHSXEESVSA-N 1 0 254.403 2.278 10 0 CEAERO CC(C)n1ccc(COC[C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000089537352 179813081 /nfs/dbraw/zinc/81/30/81/179813081.db2.gz XCJJVMJULBMDQU-STQMWFEESA-N 1 0 251.374 2.356 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1COc1cc2ccccc2c(=O)[nH]1 ZINC000089538592 179813488 /nfs/dbraw/zinc/81/34/88/179813488.db2.gz LMELYEMKHHWDKE-QWHCGFSZSA-N 1 0 272.348 2.282 10 0 CEAERO CC(C)(C)OC(=O)N[C@@H]1C[NH2+]C[C@H]1c1cccc(F)c1 ZINC000068575189 362943307 /nfs/dbraw/zinc/94/33/07/362943307.db2.gz ZLFBUCKGGYNPOM-QWHCGFSZSA-N 1 0 280.343 2.406 10 0 CEAERO Cc1cc(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])sc1C ZINC000089482319 179800655 /nfs/dbraw/zinc/80/06/55/179800655.db2.gz BUZKICGGMYWJRR-DGCLKSJQSA-N 1 0 266.410 2.356 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1CNc1cnnc2ccccc21 ZINC000089501323 179805370 /nfs/dbraw/zinc/80/53/70/179805370.db2.gz QZLROUBLTTWFJD-NWDGAFQWSA-N 1 0 256.353 2.417 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1CNC(=O)c1ccccc1F ZINC000089531839 179811099 /nfs/dbraw/zinc/81/10/99/179811099.db2.gz ROEYOUNTTJPRHV-RYUDHWBXSA-N 1 0 264.344 2.321 10 0 CEAERO CC[C@H]([NH3+])[C@H](SCCS(C)(=O)=O)c1cccs1 ZINC000104344553 185976410 /nfs/dbraw/zinc/97/64/10/185976410.db2.gz OHQFJUNOMXSNOD-ONGXEEELSA-N 1 0 293.479 2.304 10 0 CEAERO C[C@@H](NC(=O)C[C@H]1CC[NH2+]C1)c1cc(F)ccc1F ZINC000089741806 539730034 /nfs/dbraw/zinc/73/00/34/539730034.db2.gz FRNHWXNHEOFGLB-NXEZZACHSA-N 1 0 268.307 2.142 10 0 CEAERO COc1ccc(C)cc1[C@@H](C)NC(=O)C[C@H]1CC[NH2+]C1 ZINC000089742003 539730468 /nfs/dbraw/zinc/73/04/68/539730468.db2.gz GHPDQBWXLHQAOG-CHWSQXEVSA-N 1 0 276.380 2.180 10 0 CEAERO CCc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2C[NH3+])n(CC)n1 ZINC000090138900 179918988 /nfs/dbraw/zinc/91/89/88/179918988.db2.gz SWQVDSZKOTUFQP-GXTWGEPZSA-N 1 0 292.427 2.055 10 0 CEAERO CC(C)C[C@@](C)(O)C[NH2+]C[C@H](O)c1ccccc1F ZINC000090271783 179945000 /nfs/dbraw/zinc/94/50/00/179945000.db2.gz DUWNWRDAJWGNHD-LSDHHAIUSA-N 1 0 269.360 2.246 10 0 CEAERO CC[C@H](C)[C@H](C(=O)N(C)C1C[NH2+]C1)c1ccccc1 ZINC000090289736 179949659 /nfs/dbraw/zinc/94/96/59/179949659.db2.gz XAIPEJIZZKZKNL-WFASDCNBSA-N 1 0 260.381 2.247 10 0 CEAERO CCN([C@@H](C)c1cc(OC)ccc1OC)C1C[NH2+]C1 ZINC000090290932 179950402 /nfs/dbraw/zinc/95/04/02/179950402.db2.gz RWWKCPZNULWOSB-NSHDSACASA-N 1 0 264.369 2.059 10 0 CEAERO c1cn(C2CCCCC2)nc1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090322431 179958346 /nfs/dbraw/zinc/95/83/46/179958346.db2.gz LNAUWWBRENTZOF-OKILXGFUSA-N 1 0 274.412 2.040 10 0 CEAERO Cc1cccc(C(=O)N2C[C@H]3C[NH2+]C[C@@H]3C2(C)C)c1C ZINC000090336332 179965072 /nfs/dbraw/zinc/96/50/72/179965072.db2.gz GBUHXWDIMXONMB-HIFRSBDPSA-N 1 0 272.392 2.373 10 0 CEAERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)Nc1cccc(F)c1 ZINC000090336726 179965559 /nfs/dbraw/zinc/96/55/59/179965559.db2.gz DXBQSXPPRIYIDZ-ZWNOBZJWSA-N 1 0 277.343 2.287 10 0 CEAERO C[C@@H](C[NH3+])CS[C@@H](C)C(=O)Nc1ccccc1 ZINC000090349654 179971209 /nfs/dbraw/zinc/97/12/09/179971209.db2.gz WEBGLUXPUCWHBR-QWRGUYRKSA-N 1 0 252.383 2.342 10 0 CEAERO CCOC(=O)c1ccoc1CSC[C@H](C)C[NH3+] ZINC000090350271 179972328 /nfs/dbraw/zinc/97/23/28/179972328.db2.gz BXEBJSZSICBMAQ-SECBINFHSA-N 1 0 257.355 2.284 10 0 CEAERO C[C@H](CC[NH3+])SCC(=O)N1CCCCCCC1 ZINC000090354583 179973380 /nfs/dbraw/zinc/97/33/80/179973380.db2.gz CTTQQCNXAVTMKE-GFCCVEGCSA-N 1 0 258.431 2.250 10 0 CEAERO CN1C[C@H](C[NH2+]Cc2ccsc2C(F)(F)F)CC1=O ZINC000623571128 350054168 /nfs/dbraw/zinc/05/41/68/350054168.db2.gz NKMDXIXIYMMVTQ-QMMMGPOBSA-N 1 0 292.326 2.335 10 0 CEAERO CC[NH2+][C@H]1COC[C@H]1c1nc2ccc(F)cc2n1CC ZINC000090472743 179989275 /nfs/dbraw/zinc/98/92/75/179989275.db2.gz WHMPPIZQTUXXBS-YPMHNXCESA-N 1 0 277.343 2.287 10 0 CEAERO CC[NH2+][C@@H]1COC[C@@H]1C(=O)N1CCC[C@H](C(C)(C)C)CC1 ZINC000090492912 179991827 /nfs/dbraw/zinc/99/18/27/179991827.db2.gz XXYMKSRAFKPKDD-SOUVJXGZSA-N 1 0 296.455 2.286 10 0 CEAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)sc1Cl ZINC000623766095 350107529 /nfs/dbraw/zinc/10/75/29/350107529.db2.gz AGHUQIWROCUZOX-YUMQZZPRSA-N 1 0 282.192 2.294 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1c1nc2c(cccc2F)[nH]1 ZINC000090526950 179997599 /nfs/dbraw/zinc/99/75/99/179997599.db2.gz DXIWENSSCAOCTE-JOYOIKCWSA-N 1 0 263.316 2.184 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccccc1SC ZINC000090540887 180000105 /nfs/dbraw/zinc/00/01/05/180000105.db2.gz QRJRWZNSSJQSSL-DGCLKSJQSA-N 1 0 294.420 2.362 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccccc1SC ZINC000090540889 180000425 /nfs/dbraw/zinc/00/04/25/180000425.db2.gz QRJRWZNSSJQSSL-YPMHNXCESA-N 1 0 294.420 2.362 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)NC1CCC(CCC)CC1 ZINC000090543891 180001170 /nfs/dbraw/zinc/00/11/70/180001170.db2.gz WYEJTUGYOKTVPP-FJBKBRRZSA-N 1 0 296.455 2.476 10 0 CEAERO C[NH2+][C@@H]1C(=O)Nc2cc(SCCCOC)ccc21 ZINC000104437178 186001274 /nfs/dbraw/zinc/00/12/74/186001274.db2.gz JJJIPUCJNFPJBV-LBPRGKRZSA-N 1 0 266.366 2.028 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1CN(C)c1cccc(OC)c1 ZINC000090566692 180006587 /nfs/dbraw/zinc/00/65/87/180006587.db2.gz FVWIDTUSEXKNRS-CZUORRHYSA-N 1 0 278.396 2.146 10 0 CEAERO CC(C)n1c2ccc(F)cc2nc1[C@@]1(C)COC[C@H]1[NH3+] ZINC000090571727 180007557 /nfs/dbraw/zinc/00/75/57/180007557.db2.gz AJNLVORXSKUDII-HIFRSBDPSA-N 1 0 277.343 2.372 10 0 CEAERO C[C@]1(c2nc3c(cccc3F)n2C2CC2)COC[C@H]1[NH3+] ZINC000090571798 180008041 /nfs/dbraw/zinc/00/80/41/180008041.db2.gz HMWGGKWIJUQIBE-DOMZBBRYSA-N 1 0 275.327 2.126 10 0 CEAERO C[C@]1(C(=O)Nc2ccc(Cl)cc2Cl)COC[C@@H]1[NH3+] ZINC000090580345 180008224 /nfs/dbraw/zinc/00/82/24/180008224.db2.gz XQMTVMYRFWNFBF-JQWIXIFHSA-N 1 0 289.162 2.296 10 0 CEAERO C[C@]1(C(=O)Nc2ccc3ccccc3c2)COC[C@H]1[NH3+] ZINC000090585805 180009678 /nfs/dbraw/zinc/00/96/78/180009678.db2.gz FAGHZMHRZGHYHB-ZBFHGGJFSA-N 1 0 270.332 2.142 10 0 CEAERO C[NH2+][C@@H]1CCN(CCOC2CCCCC2)[C@@H](C)C1 ZINC000104437960 186002148 /nfs/dbraw/zinc/00/21/48/186002148.db2.gz KBQPWKWTXDDUIZ-UONOGXRCSA-N 1 0 254.418 2.408 10 0 CEAERO CCC1CCC([N@H+](C)[C@H](CN)CC(OC)OC)CC1 ZINC000090625186 180015879 /nfs/dbraw/zinc/01/58/79/180015879.db2.gz BVJVBENIURDVQN-RUXDESIVSA-N 1 0 272.433 2.223 10 0 CEAERO COC(C[C@@H](C[NH3+])N(C)[C@@H](C)c1ccccc1F)OC ZINC000090625328 180016028 /nfs/dbraw/zinc/01/60/28/180016028.db2.gz MUPOCLHTRJAOQW-RYUDHWBXSA-N 1 0 284.375 2.155 10 0 CEAERO C[C@H](O[C@@H](C)C(F)(F)F)C(=O)Nc1ccccc1C[NH3+] ZINC000090671986 180020966 /nfs/dbraw/zinc/02/09/66/180020966.db2.gz HBKHWLYFJXOWQO-IUCAKERBSA-N 1 0 290.285 2.440 10 0 CEAERO CC[C@H]([NH3+])[C@@H](O[C@@H](C)C(F)(F)F)c1cnn(C)c1 ZINC000090671760 180021028 /nfs/dbraw/zinc/02/10/28/180021028.db2.gz AFEHTOOGTFXJJW-HGNGGELXSA-N 1 0 265.279 2.166 10 0 CEAERO CC[NH2+][C@](CO)(CO[C@H](C)C(F)(F)F)c1ccccc1 ZINC000090675981 180022411 /nfs/dbraw/zinc/02/24/11/180022411.db2.gz YXWQFZAHLQURRD-DGCLKSJQSA-N 1 0 291.313 2.451 10 0 CEAERO Cc1cccc(NC(=O)CN(C)CC[C@H]2CCCC[NH2+]2)c1 ZINC000090693380 180025213 /nfs/dbraw/zinc/02/52/13/180025213.db2.gz IYWIZYXILPGQGQ-OAHLLOKOSA-N 1 0 289.423 2.398 10 0 CEAERO CCC(CC)NC(=O)[C@H](C)N1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000090693971 180026108 /nfs/dbraw/zinc/02/61/08/180026108.db2.gz CCPQTIWDNNMNQZ-SQWLQELKSA-N 1 0 295.471 2.144 10 0 CEAERO CS[C@H](C)C[NH2+][C@@H]1CCCc2[nH]c(=O)ccc21 ZINC000090725945 180032854 /nfs/dbraw/zinc/03/28/54/180032854.db2.gz JBJQREBGAUQPMQ-MWLCHTKSSA-N 1 0 252.383 2.093 10 0 CEAERO CC(C)CCS(=O)(=O)N[C@H](C)c1ccc(C[NH3+])cc1 ZINC000104444223 186004216 /nfs/dbraw/zinc/00/42/16/186004216.db2.gz XXJHIQGSLIDDLL-GFCCVEGCSA-N 1 0 284.425 2.172 10 0 CEAERO CCOc1cc(N[C@@]2(C[NH3+])CCC[C@H](C)C2)ncn1 ZINC000090784809 180040082 /nfs/dbraw/zinc/04/00/82/180040082.db2.gz AJXVTDATSRKSMG-FZMZJTMJSA-N 1 0 264.373 2.195 10 0 CEAERO CC(C)Oc1cc(N[C@H]2c3ccccc3C[C@@H]2[NH3+])ncn1 ZINC000090786640 180040593 /nfs/dbraw/zinc/04/05/93/180040593.db2.gz DNVNOSJQHPNSCH-BBRMVZONSA-N 1 0 284.363 2.300 10 0 CEAERO CCOc1cc(NC[C@H](C)[NH+]2CCCCC2)nc(C)n1 ZINC000090791948 180042557 /nfs/dbraw/zinc/04/25/57/180042557.db2.gz LCAVWWNBLCGLGM-LBPRGKRZSA-N 1 0 278.400 2.470 10 0 CEAERO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H](C)[S@](C)=O)c1 ZINC000090842179 180043873 /nfs/dbraw/zinc/04/38/73/180043873.db2.gz XFSKMMNKZCJEJH-ZHYXMNDGSA-N 1 0 282.409 2.063 10 0 CEAERO CCC(CC)[C@@H](C)NS(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000104449311 186005585 /nfs/dbraw/zinc/00/55/85/186005585.db2.gz RACJECHQBPMEIM-LLVKDONJSA-N 1 0 284.425 2.248 10 0 CEAERO [NH3+]Cc1ccc(S(=O)(=O)[N-]c2ccsc2)cc1 ZINC000090868000 180048384 /nfs/dbraw/zinc/04/83/84/180048384.db2.gz LZKRDFNEAGIZSV-UHFFFAOYSA-N 1 0 268.363 2.008 10 0 CEAERO CCC[C@H]1C[NH2+]CCN1C[C@@H]1Cc2ccccc2O1 ZINC000090878251 180052229 /nfs/dbraw/zinc/05/22/29/180052229.db2.gz WYDLHNDDRQJBKY-GJZGRUSLSA-N 1 0 260.381 2.064 10 0 CEAERO Fc1ccc2c(c1)C[C@H](C[NH2+]C[C@@H]1CCCOC1)O2 ZINC000090892261 180054354 /nfs/dbraw/zinc/05/43/54/180054354.db2.gz WACCTGBMTPSSEY-SMDDNHRTSA-N 1 0 265.328 2.145 10 0 CEAERO Fc1ccc2c(c1)C[C@@H](C[NH2+]CCCCn1ccnc1)O2 ZINC000090892600 180055062 /nfs/dbraw/zinc/05/50/62/180055062.db2.gz IPAVJGYDARJFGR-HNNXBMFYSA-N 1 0 289.354 2.396 10 0 CEAERO CCN(CC[NH2+]C(C)C)C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893487 180055427 /nfs/dbraw/zinc/05/54/27/180055427.db2.gz GNQAJJMTMQLFJH-HNNXBMFYSA-N 1 0 280.387 2.449 10 0 CEAERO CC[C@H](COC)[NH2+]C[C@H]1Cc2cc(F)ccc2O1 ZINC000090892877 180055440 /nfs/dbraw/zinc/05/54/40/180055440.db2.gz CIGUKMOTGJARRD-CHWSQXEVSA-N 1 0 253.317 2.144 10 0 CEAERO CCC[C@@H]1C[NH2+]CCN1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090896125 180056342 /nfs/dbraw/zinc/05/63/42/180056342.db2.gz YCPWGUZTFRDXFU-CABCVRRESA-N 1 0 278.371 2.203 10 0 CEAERO COC(=O)CCC[N@H+](C)C[C@H]1Cc2cc(F)ccc2O1 ZINC000090894728 180056362 /nfs/dbraw/zinc/05/63/62/180056362.db2.gz RKFSHDZETHTFRB-CYBMUJFWSA-N 1 0 281.327 2.014 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[NH2+]C[C@H]1CCCCO1)O2 ZINC000090897766 180056971 /nfs/dbraw/zinc/05/69/71/180056971.db2.gz OZODBIMNOAZKIK-HUUCEWRRSA-N 1 0 261.365 2.457 10 0 CEAERO CC[C@@](C)(C[NH3+])N(C)C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090897018 180057022 /nfs/dbraw/zinc/05/70/22/180057022.db2.gz DXQDXXLXUMSILH-HOCLYGCPSA-N 1 0 262.397 2.358 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[NH2+]CCN(C)C(C)C)O2 ZINC000090897952 180057196 /nfs/dbraw/zinc/05/71/96/180057196.db2.gz MQJXJAHWFQENAG-OAHLLOKOSA-N 1 0 262.397 2.228 10 0 CEAERO CCCN(CC[NH2+]C)C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090898931 180057885 /nfs/dbraw/zinc/05/78/85/180057885.db2.gz AUIVNMDBZHGCST-HNNXBMFYSA-N 1 0 262.397 2.230 10 0 CEAERO CC[NH2+]CCN(CC)C[C@H]1Cc2cc(C)ccc2O1 ZINC000090898926 180058034 /nfs/dbraw/zinc/05/80/34/180058034.db2.gz DRBFOHZGGONEEN-OAHLLOKOSA-N 1 0 262.397 2.230 10 0 CEAERO C[C@@H]1CN(C[C@@H]2Cc3cc(Cl)ccc3O2)[C@@H](C)C[NH2+]1 ZINC000090900270 180059214 /nfs/dbraw/zinc/05/92/14/180059214.db2.gz KAOIOMFJQRTSLH-SUNKGSAMSA-N 1 0 280.799 2.326 10 0 CEAERO C[C@@H]([NH2+]C[C@@H]1Cc2cc(Cl)ccc2O1)c1nncn1C ZINC000090904518 180060228 /nfs/dbraw/zinc/06/02/28/180060228.db2.gz FRJMUQNGDWJGPT-SKDRFNHKSA-N 1 0 292.770 2.123 10 0 CEAERO C[C@@H](CN1C[C@H]2CC[C@@H](C1)O2)C(=O)c1ccccc1 ZINC000090907425 180060920 /nfs/dbraw/zinc/06/09/20/180060920.db2.gz HAGMALBFFYQKOH-AEGPPILISA-N 1 0 259.349 2.369 10 0 CEAERO Cc1ccc([C@H]([NH3+])CN2C[C@H]3CC[C@@H](C2)O3)cc1C ZINC000090905994 180061421 /nfs/dbraw/zinc/06/14/21/180061421.db2.gz IDIFZQFFPWPGEL-OWCLPIDISA-N 1 0 260.381 2.166 10 0 CEAERO CC(C)(C)[NH2+]C[C@@]1(CN2C[C@H]3CC[C@@H](C2)O3)CCCOC1 ZINC000090907536 180061627 /nfs/dbraw/zinc/06/16/27/180061627.db2.gz OFJYJJCGRUORTI-HLLBOEOZSA-N 1 0 296.455 2.035 10 0 CEAERO Fc1ccccc1NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090908052 180061660 /nfs/dbraw/zinc/06/16/60/180061660.db2.gz WLMIJHMJSIILEP-TXEJJXNPSA-N 1 0 250.317 2.101 10 0 CEAERO CC[C@H](C)N(CCOC)Cc1csc([C@@H](C)[NH3+])n1 ZINC000090958312 180074432 /nfs/dbraw/zinc/07/44/32/180074432.db2.gz WACQARIKFSSGGP-WDEREUQCSA-N 1 0 271.430 2.410 10 0 CEAERO CN(CCC(F)(F)F)Cc1csc(CC[NH3+])n1 ZINC000090958795 180074692 /nfs/dbraw/zinc/07/46/92/180074692.db2.gz CZPHZKJEDQCMKO-UHFFFAOYSA-N 1 0 267.320 2.029 10 0 CEAERO CC[C@@H]1CO[C@H](C)CN1Cc1csc([C@@H](C)[NH3+])n1 ZINC000090958159 180075010 /nfs/dbraw/zinc/07/50/10/180075010.db2.gz MPUSQJBWWHMCEB-CKYFFXLPSA-N 1 0 269.414 2.162 10 0 CEAERO CC[NH+](CC)CCNCc1sccc1NC(C)=O ZINC000090958985 180075349 /nfs/dbraw/zinc/07/53/49/180075349.db2.gz PQHVPAOYZZTKMG-UHFFFAOYSA-N 1 0 269.414 2.138 10 0 CEAERO COC[C@H]([NH2+]Cc1sccc1NC(C)=O)C(C)C ZINC000090960838 180076234 /nfs/dbraw/zinc/07/62/34/180076234.db2.gz QZJDERVAZNMGKY-LBPRGKRZSA-N 1 0 270.398 2.467 10 0 CEAERO CC(=O)Nc1ccccc1C[NH2+]C1(CO)CCCC1 ZINC000090962564 180077073 /nfs/dbraw/zinc/07/70/73/180077073.db2.gz LKVAVHCXMYVLLT-UHFFFAOYSA-N 1 0 262.353 2.040 10 0 CEAERO CC(=O)Nc1ccccc1C[NH2+]C[C@H]1CCCCN1C ZINC000090962468 180077151 /nfs/dbraw/zinc/07/71/51/180077151.db2.gz NDSJCAIIQRMVLB-OAHLLOKOSA-N 1 0 275.396 2.219 10 0 CEAERO C[C@H]([NH3+])c1csc(NC(=O)[C@@H]2Cc3ccccc32)n1 ZINC000090983484 180080409 /nfs/dbraw/zinc/08/04/09/180080409.db2.gz YGCSKHVACXIBOT-GZMMTYOYSA-N 1 0 273.361 2.441 10 0 CEAERO c1ncn(C[C@@H]2Cc3ccccc32)c1C[NH2+]C1CC1 ZINC000090993502 180082293 /nfs/dbraw/zinc/08/22/93/180082293.db2.gz WKZABFYFISAOCR-ZDUSSCGKSA-N 1 0 253.349 2.475 10 0 CEAERO CCN(C(=O)Cn1cc(C[NH3+])c2ccccc21)C1CC1 ZINC000090995027 180082665 /nfs/dbraw/zinc/08/26/65/180082665.db2.gz JHSXXZUVPJJFGM-UHFFFAOYSA-N 1 0 271.364 2.111 10 0 CEAERO C[NH2+]Cc1cccn1CC(=O)Nc1ccccc1Cl ZINC000090995800 180082728 /nfs/dbraw/zinc/08/27/28/180082728.db2.gz FYHCAJHJVLDZAX-UHFFFAOYSA-N 1 0 277.755 2.500 10 0 CEAERO CC(C)CNC(=O)Cn1cccc1C[NH2+]C(C)(C)C ZINC000091001625 180083308 /nfs/dbraw/zinc/08/33/08/180083308.db2.gz FOXJSEZUDXOCMQ-UHFFFAOYSA-N 1 0 265.401 2.148 10 0 CEAERO COc1cccc(Cn2cccc2C[NH2+]C2CC2)n1 ZINC000091001535 180083352 /nfs/dbraw/zinc/08/33/52/180083352.db2.gz CWEYAPZWPGSXHJ-UHFFFAOYSA-N 1 0 257.337 2.192 10 0 CEAERO CCn1ncnc1Cn1cc(C[C@@H](C)[NH3+])c2ccccc21 ZINC000091005119 180084642 /nfs/dbraw/zinc/08/46/42/180084642.db2.gz YUCNAWWOUYYQMZ-GFCCVEGCSA-N 1 0 283.379 2.191 10 0 CEAERO CC[C@@H]([NH3+])Cc1cccn1Cc1cccc(OC)n1 ZINC000091005816 180084643 /nfs/dbraw/zinc/08/46/43/180084643.db2.gz IICUIHWFLJEKOT-GFCCVEGCSA-N 1 0 259.353 2.220 10 0 CEAERO COc1cccc([C@@H](C)NC(=O)C[NH2+]C(C)(C)C)c1 ZINC000091015692 180086496 /nfs/dbraw/zinc/08/64/96/180086496.db2.gz AODDLQZKZGCICN-LLVKDONJSA-N 1 0 264.369 2.261 10 0 CEAERO [NH3+]Cc1cn(CCCOCC(F)(F)F)c2ncccc12 ZINC000091018575 180087108 /nfs/dbraw/zinc/08/71/08/180087108.db2.gz ZZZYNXSUWCGHTB-UHFFFAOYSA-N 1 0 287.285 2.464 10 0 CEAERO CC(C)[C@@H](CN(C)C)[NH2+]Cc1c[nH]c2ncccc12 ZINC000091017608 180087343 /nfs/dbraw/zinc/08/73/43/180087343.db2.gz DUMWBLJEVDUANK-CQSZACIVSA-N 1 0 260.385 2.239 10 0 CEAERO C[NH2+]Cc1cn(CCc2ccccn2)c2ncccc12 ZINC000091019572 180088137 /nfs/dbraw/zinc/08/81/37/180088137.db2.gz MSZGGZYGSIAMPI-UHFFFAOYSA-N 1 0 266.348 2.393 10 0 CEAERO CCC[NH2+]Cc1cn(Cc2noc(C)n2)c2ncccc12 ZINC000091020281 180088237 /nfs/dbraw/zinc/08/82/37/180088237.db2.gz FYHWMBRWOKKNLW-UHFFFAOYSA-N 1 0 285.351 2.276 10 0 CEAERO CC[C@H]([NH3+])Cc1cn(Cc2cnn(C)c2)c2ncccc12 ZINC000091022027 180088741 /nfs/dbraw/zinc/08/87/41/180088741.db2.gz FIXWXJBYIYKOMF-AWEZNQCLSA-N 1 0 283.379 2.098 10 0 CEAERO C[C@H]([NH3+])c1nc(-c2nc(-c3ccco3)no2)cs1 ZINC000090938958 180068286 /nfs/dbraw/zinc/06/82/86/180068286.db2.gz UXRJOEFNDSGXEK-LURJTMIESA-N 1 0 262.294 2.473 10 0 CEAERO C[C@](O)(COCc1ccccc1)[C@]1(C[NH3+])CC1(C)C ZINC000669377934 539760802 /nfs/dbraw/zinc/76/08/02/539760802.db2.gz ZPSBUIUHCPTYMY-HOTGVXAUSA-N 1 0 263.381 2.329 10 0 CEAERO C[C@@H](NC(=O)C[C@@H]1CSCC[NH2+]1)c1ccccc1F ZINC000091135397 180103767 /nfs/dbraw/zinc/10/37/67/180103767.db2.gz BWTIGGPYHJLAJM-GHMZBOCLSA-N 1 0 282.384 2.098 10 0 CEAERO CCCNC(=O)C[C@@H](C[NH3+])N(CC)c1cccc(C)c1 ZINC000091317148 180133689 /nfs/dbraw/zinc/13/36/89/180133689.db2.gz PWXTXWXPHSIPJA-HNNXBMFYSA-N 1 0 277.412 2.065 10 0 CEAERO CC(C)(C)NC(=O)C[C@H](CN)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000091321512 180134332 /nfs/dbraw/zinc/13/43/32/180134332.db2.gz RASFAIRVKDFRRB-HUUCEWRRSA-N 1 0 295.471 2.273 10 0 CEAERO CCC1(C)CC[NH+]([C@@H](CN)CC(=O)N2CCCCC2)CC1 ZINC000091325440 180135035 /nfs/dbraw/zinc/13/50/35/180135035.db2.gz DEBHCEYQOCEXLD-OAHLLOKOSA-N 1 0 295.471 2.228 10 0 CEAERO CCn1nc(C)cc1C[C@](C[NH3+])(c1ccccc1)[C@H](C)O ZINC000091327819 180135833 /nfs/dbraw/zinc/13/58/33/180135833.db2.gz WNOSDLLKFVPBSN-WMLDXEAASA-N 1 0 287.407 2.031 10 0 CEAERO C[C@H](O)[C@@](C[NH3+])(CC1CCOCC1)c1ccccc1 ZINC000091327854 180135950 /nfs/dbraw/zinc/13/59/50/180135950.db2.gz WHGWWGDOICBFSH-BBRMVZONSA-N 1 0 263.381 2.081 10 0 CEAERO CCOCCC[C@@](C[NH3+])(c1ccccc1)[C@@H](C)O ZINC000091327732 180135959 /nfs/dbraw/zinc/13/59/59/180135959.db2.gz SLRNHVDWESANFF-HIFRSBDPSA-N 1 0 251.370 2.081 10 0 CEAERO [NH3+]Cc1cnn(Cc2ccc(F)cc2)c1C(F)F ZINC000091339015 180136144 /nfs/dbraw/zinc/13/61/44/180136144.db2.gz STUVVDWADAYIOV-UHFFFAOYSA-N 1 0 255.243 2.467 10 0 CEAERO Cc1ccc2n1CCN(C(=O)[C@@H]1CCCC[C@@H]1C[NH3+])[C@H]2C ZINC000091332989 180136332 /nfs/dbraw/zinc/13/63/32/180136332.db2.gz HGISLAHSYQRADZ-RRFJBIMHSA-N 1 0 289.423 2.465 10 0 CEAERO CN(C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)c1ccccn1 ZINC000091359184 180140638 /nfs/dbraw/zinc/14/06/38/180140638.db2.gz ZFOGOLLTKTWGRW-IHRRRGAJSA-N 1 0 273.380 2.355 10 0 CEAERO CCOc1ccc([C@@H]([NH3+])CSC[C@@H](C)CO)cc1 ZINC000091260438 180116123 /nfs/dbraw/zinc/11/61/23/180116123.db2.gz FFIQGPGGLCKYSU-FZMZJTMJSA-N 1 0 269.410 2.447 10 0 CEAERO CC(C)N1CCCC[C@@H]([NH3+])[C@@H]1c1cncn1C1CC1 ZINC000091275674 180119243 /nfs/dbraw/zinc/11/92/43/180119243.db2.gz SGOUCLWIODQYHM-UKRRQHHQSA-N 1 0 262.401 2.481 10 0 CEAERO [NH3+]C[C@@H](c1cncn1C1CC1)N(Cc1ccco1)C1CC1 ZINC000091276441 180120257 /nfs/dbraw/zinc/12/02/57/180120257.db2.gz HJAZKLHRTLXRIP-HNNXBMFYSA-N 1 0 286.379 2.475 10 0 CEAERO C[NH2+][C@@H](CSc1ccccc1Cl)Cc1ncnn1C ZINC000091279317 180120959 /nfs/dbraw/zinc/12/09/59/180120959.db2.gz QFLSJZOTHLTARX-SNVBAGLBSA-N 1 0 296.827 2.391 10 0 CEAERO CCCn1cncc1-c1ncc2c(n1)CCC[C@H]2[NH3+] ZINC000091278089 180121193 /nfs/dbraw/zinc/12/11/93/180121193.db2.gz BSBYOVRYJWNPDA-LLVKDONJSA-N 1 0 257.341 2.086 10 0 CEAERO Cn1cncc1COc1ccc2c(c1)CCC[C@H]2[NH3+] ZINC000091278394 180121445 /nfs/dbraw/zinc/12/14/45/180121445.db2.gz DMZZNFLFHWFODV-OAHLLOKOSA-N 1 0 257.337 2.335 10 0 CEAERO CCN(C(=O)C[C@H]1CSCC[NH2+]1)c1cccc(F)c1 ZINC000091290670 180121848 /nfs/dbraw/zinc/12/18/48/180121848.db2.gz JCJMOCURUQESKU-LBPRGKRZSA-N 1 0 282.384 2.274 10 0 CEAERO CN(CC[C@@H]1CSCC[NH2+]1)c1ccccc1F ZINC000091292233 180123448 /nfs/dbraw/zinc/12/34/48/180123448.db2.gz YWEZNVBULAHFMB-LLVKDONJSA-N 1 0 254.374 2.357 10 0 CEAERO Cc1csc([C@@H](C)NCC[C@H]2CSCC[NH2+]2)n1 ZINC000091292346 180123833 /nfs/dbraw/zinc/12/38/33/180123833.db2.gz SSPUBOWCWVRIFC-MNOVXSKESA-N 1 0 271.455 2.197 10 0 CEAERO CC(C)n1c(C[C@H]2C[NH2+]CCO2)nc2cc(F)ccc21 ZINC000091293218 180124170 /nfs/dbraw/zinc/12/41/70/180124170.db2.gz MPKMGWGEUJHQSA-LBPRGKRZSA-N 1 0 277.343 2.287 10 0 CEAERO Cc1ccccc1NCCN1CCC[C@@H]([NH+](C)C)C1 ZINC000091428520 180153014 /nfs/dbraw/zinc/15/30/14/180153014.db2.gz SSKAMUDGBQVYKO-OAHLLOKOSA-N 1 0 261.413 2.433 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(CCNc2ccc(F)cc2)C1 ZINC000091432959 180153844 /nfs/dbraw/zinc/15/38/44/180153844.db2.gz WEAXPYRKDPHXDM-OAHLLOKOSA-N 1 0 265.376 2.264 10 0 CEAERO OC1CC([NH2+][C@H]2CCc3cc(Br)ccc3C2)C1 ZINC000091431168 180153880 /nfs/dbraw/zinc/15/38/80/180153880.db2.gz WFTZRCQQJSVPEH-HSBZDZAISA-N 1 0 296.208 2.419 10 0 CEAERO COC[C@H](C)[NH2+]Cc1cnc(C)n1-c1ccccc1 ZINC000091437401 180155210 /nfs/dbraw/zinc/15/52/10/180155210.db2.gz PJUXWPHHPNKUFA-LBPRGKRZSA-N 1 0 259.353 2.305 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccsc1)N(C)CC1CC(O)C1 ZINC000091451821 180158809 /nfs/dbraw/zinc/15/88/09/180158809.db2.gz AEUKYDNXSOOFCG-AKUTZHFWSA-N 1 0 268.426 2.229 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)N(C)CC1CC(O)C1 ZINC000091451131 180159006 /nfs/dbraw/zinc/15/90/06/180159006.db2.gz RXNSYCQNKOUTQS-SJQFEJMWSA-N 1 0 266.385 2.069 10 0 CEAERO C[N@H+](CCC(=O)c1ccc(F)cc1)CC1CC(O)C1 ZINC000091463039 180162036 /nfs/dbraw/zinc/16/20/36/180162036.db2.gz JHHTYGFNAFVJBN-UHFFFAOYSA-N 1 0 265.328 2.101 10 0 CEAERO [NH3+]CC1CC(OCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000091463684 180162527 /nfs/dbraw/zinc/16/25/27/180162527.db2.gz YOLSDBZXGQWJKB-UHFFFAOYSA-N 1 0 268.744 2.032 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1cccc(C)c1)N(C)CC1CC(O)C1 ZINC000091464203 180163236 /nfs/dbraw/zinc/16/32/36/180163236.db2.gz SJWKHCYPBDMPTG-MHVXSEJMSA-N 1 0 276.424 2.476 10 0 CEAERO CCC(CC)n1ccc(C[C@](C)(O)CC[NH2+]C)n1 ZINC000091465705 180163823 /nfs/dbraw/zinc/16/38/23/180163823.db2.gz JREIOYFNHGDQEW-CQSZACIVSA-N 1 0 253.390 2.147 10 0 CEAERO CCc1nn(CC)c(C[C@H](O)C[NH2+]C(C)(C)C)c1Cl ZINC000091470566 180164838 /nfs/dbraw/zinc/16/48/38/180164838.db2.gz HCTDSOOCJMZGLD-JTQLQIEISA-N 1 0 287.835 2.410 10 0 CEAERO Cc1cc([C@@H](C[NH3+])N2CCOCC2)ccc1Br ZINC000091470357 180164984 /nfs/dbraw/zinc/16/49/84/180164984.db2.gz UNKKXULTLAUDGJ-CYBMUJFWSA-N 1 0 299.212 2.090 10 0 CEAERO CCn1nc(C[C@@H](O)C[NH2+]C(C)(C)C)c2ccccc21 ZINC000091469834 180165033 /nfs/dbraw/zinc/16/50/33/180165033.db2.gz ZJBZEXWQLDHSHU-GFCCVEGCSA-N 1 0 275.396 2.348 10 0 CEAERO CCc1cc2c(ncnc2N(C)CC2CC([NH3+])C2)s1 ZINC000091474259 180165376 /nfs/dbraw/zinc/16/53/76/180165376.db2.gz LFJCFOXFTYUCAH-UHFFFAOYSA-N 1 0 276.409 2.427 10 0 CEAERO CN(CC1CC([NH3+])C1)C(=O)c1cccc(OC(F)F)c1 ZINC000091474210 180165790 /nfs/dbraw/zinc/16/57/90/180165790.db2.gz SZDWKUKSSCSWBX-UHFFFAOYSA-N 1 0 284.306 2.097 10 0 CEAERO CCN1C(=O)C[C@H]([NH3+])[C@@H]1c1ccc(Br)c(C)c1 ZINC000091476286 180166296 /nfs/dbraw/zinc/16/62/96/180166296.db2.gz VUSWGADBXIFGPG-AAEUAGOBSA-N 1 0 297.196 2.378 10 0 CEAERO Cc1ccc(C(F)(F)F)cc1-n1cc(C[NH3+])nn1 ZINC000091480898 180166549 /nfs/dbraw/zinc/16/65/49/180166549.db2.gz MHLJIRHNHOULCE-UHFFFAOYSA-N 1 0 256.231 2.053 10 0 CEAERO C[N@H+](CC1CC(O)C1)C[C@H]1CC(C)(C)CCC1=O ZINC000091490322 180170308 /nfs/dbraw/zinc/17/03/08/180170308.db2.gz OPOOVGQMLGBCEN-OTTFEQOBSA-N 1 0 253.386 2.085 10 0 CEAERO CC(C)(c1noc(C2C(C)(C)C2(C)C)n1)N1CC[NH2+]CC1 ZINC000091494293 180170990 /nfs/dbraw/zinc/17/09/90/180170990.db2.gz UWTUNCRSVBKJAG-UHFFFAOYSA-N 1 0 292.427 2.360 10 0 CEAERO CC1(C)C(C(=O)NC[C@@H]2CCCC[C@H]2[NH3+])C1(C)C ZINC000091494723 180171436 /nfs/dbraw/zinc/17/14/36/180171436.db2.gz XHIQHZFOPIGYMK-WDEREUQCSA-N 1 0 252.402 2.302 10 0 CEAERO CC1(C)C(C(=O)NC[C@@H]2CCCC[C@@H]2[NH3+])C1(C)C ZINC000091494721 180171612 /nfs/dbraw/zinc/17/16/12/180171612.db2.gz XHIQHZFOPIGYMK-QWRGUYRKSA-N 1 0 252.402 2.302 10 0 CEAERO CCC[C@]1(C(=O)Nc2cccnc2C)CCC[NH2+]C1 ZINC000091497039 180172797 /nfs/dbraw/zinc/17/27/97/180172797.db2.gz NYJULPDETSQAGG-HNNXBMFYSA-N 1 0 261.369 2.498 10 0 CEAERO Cc1cccc(C(=O)CN2CCC[C@H]([NH+](C)C)C2)c1 ZINC000091391586 180144946 /nfs/dbraw/zinc/14/49/46/180144946.db2.gz IFGRSLIGLRXZNR-HNNXBMFYSA-N 1 0 260.381 2.204 10 0 CEAERO C[NH+](C)[C@H]1CCCN(Cc2ccc3c(c2)CCN3)C1 ZINC000091395107 180146641 /nfs/dbraw/zinc/14/66/41/180146641.db2.gz QMKZGNCUTYOPBE-HNNXBMFYSA-N 1 0 259.397 2.181 10 0 CEAERO CC[NH2+]Cc1cncc(N(C)[C@@H](C)C(C)(C)C)n1 ZINC000091419829 180150920 /nfs/dbraw/zinc/15/09/20/180150920.db2.gz FCYIWQGKWBOOHB-NSHDSACASA-N 1 0 250.390 2.457 10 0 CEAERO CC(C)[NH2+]Cc1cncc(-n2ccc(C(C)C)n2)n1 ZINC000091422516 180151095 /nfs/dbraw/zinc/15/10/95/180151095.db2.gz LXXSJKXMOBIEAV-UHFFFAOYSA-N 1 0 259.357 2.284 10 0 CEAERO CCCc1nccn1-c1cncc(C[NH2+]CC(C)C)n1 ZINC000091422545 180151472 /nfs/dbraw/zinc/15/14/72/180151472.db2.gz NDIKONYJEFSNLL-UHFFFAOYSA-N 1 0 273.384 2.360 10 0 CEAERO CCc1nn(C)c(NCCC[N@@H+]2CCCC[C@@H]2C)c1N ZINC000091561241 180192296 /nfs/dbraw/zinc/19/22/96/180192296.db2.gz ZFFHCXWVXAUVBW-LBPRGKRZSA-N 1 0 279.432 2.241 10 0 CEAERO CC[NH2+][C@@H](c1ccnn1C)C(C)(C)N1CCCCC1 ZINC000091565186 180193150 /nfs/dbraw/zinc/19/31/50/180193150.db2.gz IPJAITUCHSNHKH-AWEZNQCLSA-N 1 0 264.417 2.335 10 0 CEAERO C[NH2+][C@@H](Cc1cccnc1N)C(C)(C)N1CCCCC1 ZINC000091564805 180193650 /nfs/dbraw/zinc/19/36/50/180193650.db2.gz UEUPXZPMBHMKML-AWEZNQCLSA-N 1 0 276.428 2.059 10 0 CEAERO C[NH2+][C@@H](c1cccc(OC)c1)C(C)(C)N1CCOCC1 ZINC000091566493 180193908 /nfs/dbraw/zinc/19/39/08/180193908.db2.gz JONUPIWFYBECNI-HNNXBMFYSA-N 1 0 278.396 2.067 10 0 CEAERO CCOc1ccc([C@H]([NH3+])C(C)(C)N2CCOCC2)cc1 ZINC000091566155 180194140 /nfs/dbraw/zinc/19/41/40/180194140.db2.gz CSXTVLYOTUNGMR-HNNXBMFYSA-N 1 0 278.396 2.196 10 0 CEAERO CN[C@@H](c1ccnn1C)C(C)(C)[NH+]1CCCCCC1 ZINC000091568263 180194692 /nfs/dbraw/zinc/19/46/92/180194692.db2.gz RMHCRUYBINIPIF-AWEZNQCLSA-N 1 0 264.417 2.335 10 0 CEAERO C[NH2+][C@H](c1cccc(F)c1F)C(C)(C)N1CCOCC1 ZINC000091566714 180194755 /nfs/dbraw/zinc/19/47/55/180194755.db2.gz PTSIJJWUUFEURF-CQSZACIVSA-N 1 0 284.350 2.336 10 0 CEAERO CCC[NH2+][C@H](c1cncc(F)c1)C(C)(C)N1CCOCC1 ZINC000091567195 180194843 /nfs/dbraw/zinc/19/48/43/180194843.db2.gz VXOANBOYFYBGFA-OAHLLOKOSA-N 1 0 295.402 2.372 10 0 CEAERO CC(C)([C@@H](O)c1cccnc1N)[NH+]1CCCCCC1 ZINC000091567567 180194988 /nfs/dbraw/zinc/19/49/88/180194988.db2.gz JUZQPUDDDHEWNW-ZDUSSCGKSA-N 1 0 263.385 2.352 10 0 CEAERO CC[C@@](C)([C@H](O)Cc1c(Cl)c(C)nn1C)[NH+](C)C ZINC000091569488 180195342 /nfs/dbraw/zinc/19/53/42/180195342.db2.gz AEGPMSAXPWXOKA-YPMHNXCESA-N 1 0 273.808 2.016 10 0 CEAERO CC[C@H](C)N1C(=O)C[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C1=O ZINC000105088459 186041822 /nfs/dbraw/zinc/04/18/22/186041822.db2.gz KVKYQMQGVWFYTG-MJVIPROJSA-N 1 0 292.354 2.402 10 0 CEAERO CCCc1nn(C)c(N2CC[NH+](C3CCCC3)CC2)c1N ZINC000091579153 180198466 /nfs/dbraw/zinc/19/84/66/180198466.db2.gz USWYOTKNGAXICM-UHFFFAOYSA-N 1 0 291.443 2.019 10 0 CEAERO CCCc1nn(C)c(NC[C@@H](C)C[NH+]2CCCC2)c1N ZINC000091583236 180198684 /nfs/dbraw/zinc/19/86/84/180198684.db2.gz NXLIKJRPCVNELE-GFCCVEGCSA-N 1 0 279.432 2.099 10 0 CEAERO CCn1cc(C[C@H](O)[C@@](C)(CC)[NH+]2CCCC2)cn1 ZINC000091602980 180203225 /nfs/dbraw/zinc/20/32/25/180203225.db2.gz VKGRXRFFSGYSBN-LSDHHAIUSA-N 1 0 265.401 2.071 10 0 CEAERO CCn1ccnc1[C@@H](O)[C@@](C)(CC)[NH+]1CCCC1 ZINC000091602763 180203576 /nfs/dbraw/zinc/20/35/76/180203576.db2.gz XYYZFWDRBXLIAB-TZMCWYRMSA-N 1 0 251.374 2.201 10 0 CEAERO CC[NH2+][C@@H](Cc1ncnn1CC)[C@@](C)(CC)N1CCCC1 ZINC000091607584 180204148 /nfs/dbraw/zinc/20/41/48/180204148.db2.gz ITJHFITWVHKMQG-GOEBONIOSA-N 1 0 293.459 2.083 10 0 CEAERO CC[C@@](C)([C@@H]([NH2+]C)c1cnccn1)N1CCCCC1 ZINC000091609667 180205935 /nfs/dbraw/zinc/20/59/35/180205935.db2.gz VHYSBZPQZHTMLT-GJZGRUSLSA-N 1 0 262.401 2.392 10 0 CEAERO CC[C@@](C)([C@@H]([NH3+])c1cccc(F)c1)N1CCOCC1 ZINC000091611907 180206694 /nfs/dbraw/zinc/20/66/94/180206694.db2.gz XRQRLPINLNCCPW-GJZGRUSLSA-N 1 0 266.360 2.326 10 0 CEAERO CC[NH2+][C@H](c1nccn1CC)[C@](C)(CC)N1CCOCC1 ZINC000091612977 180207000 /nfs/dbraw/zinc/20/70/00/180207000.db2.gz CADGIYSTFQBFMH-ZBFHGGJFSA-N 1 0 294.443 2.055 10 0 CEAERO CC[NH2+][C@H](c1cncc(F)c1)[C@@](C)(CC)N1CCOCC1 ZINC000091612994 180207035 /nfs/dbraw/zinc/20/70/35/180207035.db2.gz TYSWFQVWXKCIHR-HZPDHXFCSA-N 1 0 295.402 2.372 10 0 CEAERO CCCn1cc([C@H]([NH2+]C)[C@@](C)(CC)N2CCOCC2)cn1 ZINC000091612653 180207455 /nfs/dbraw/zinc/20/74/55/180207455.db2.gz NMAPJODUBDSNPG-JKSUJKDBSA-N 1 0 294.443 2.055 10 0 CEAERO CCc1ccc(CN2CCN(C3CC[NH2+]CC3)C2=O)cc1 ZINC000091502122 180175491 /nfs/dbraw/zinc/17/54/91/180175491.db2.gz YMRSNXFTFHAXCB-UHFFFAOYSA-N 1 0 287.407 2.239 10 0 CEAERO CCn1nccc1[C@H]([NH2+]C)C(CC)(CC)N(C)C ZINC000091614277 180208294 /nfs/dbraw/zinc/20/82/94/180208294.db2.gz LTTRBXAWBICJRC-ZDUSSCGKSA-N 1 0 252.406 2.284 10 0 CEAERO COCC[NH2+]CC[C@](C)(O)CCc1ccc(OC)cc1 ZINC000091523097 180178314 /nfs/dbraw/zinc/17/83/14/180178314.db2.gz YWWYVWGNPOBULY-MRXNPFEDSA-N 1 0 281.396 2.005 10 0 CEAERO CC(C)n1c2cc(F)ccc2nc1C[C@@](C)(O)C[NH3+] ZINC000091522846 180178339 /nfs/dbraw/zinc/17/83/39/180178339.db2.gz FFHAGQZNSAPYRJ-CQSZACIVSA-N 1 0 265.332 2.009 10 0 CEAERO Cc1ccc2c(c1)nc(C[C@](C)(O)C[NH3+])n2C(C)C ZINC000091522011 180178345 /nfs/dbraw/zinc/17/83/45/180178345.db2.gz CZPGDMOONNELRC-HNNXBMFYSA-N 1 0 261.369 2.178 10 0 CEAERO CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1[NH2+]CC1CC(O)C1 ZINC000091525922 180179072 /nfs/dbraw/zinc/17/90/72/180179072.db2.gz PLBWYGSNMROEER-HHTDUIENSA-N 1 0 298.427 2.040 10 0 CEAERO [NH3+]C1CC(CNC(=O)c2ccc3ccccc3c2O)C1 ZINC000091525557 180179082 /nfs/dbraw/zinc/17/90/82/180179082.db2.gz MVRCYILGVHQEDK-UHFFFAOYSA-N 1 0 270.332 2.013 10 0 CEAERO Cc1cc(F)cc(N2CC[C@@H]([NH2+]C(C)C)C2=O)c1 ZINC000091527226 180179457 /nfs/dbraw/zinc/17/94/57/180179457.db2.gz KVQYIHPNPZEEFF-CYBMUJFWSA-N 1 0 250.317 2.237 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccnc(N)c1)C(C)(C)N1CCCC1 ZINC000091536121 180182560 /nfs/dbraw/zinc/18/25/60/180182560.db2.gz LRPVCPXNHYTBGT-HNNXBMFYSA-N 1 0 290.455 2.449 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)c1cccc(F)c1 ZINC000091543772 180185006 /nfs/dbraw/zinc/18/50/06/180185006.db2.gz FGHQTELFUIGRBF-NDMJEZRESA-N 1 0 250.317 2.130 10 0 CEAERO CCCN1C(=O)C[C@@H]([NH2+][C@H](C)CCCC(C)C)C1=O ZINC000105028382 186038121 /nfs/dbraw/zinc/03/81/21/186038121.db2.gz CASPHEPUETZHER-CHWSQXEVSA-N 1 0 268.401 2.328 10 0 CEAERO C[C@H](NC(=O)[C@H]1CC[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000091545981 180186801 /nfs/dbraw/zinc/18/68/01/180186801.db2.gz OGFLDGYPMVMHII-GAFUQQFSSA-N 1 0 250.317 2.130 10 0 CEAERO [NH3+][C@H]1CC[C@@H](C(=O)Nc2c(F)cc(F)cc2F)C1 ZINC000091546517 180186938 /nfs/dbraw/zinc/18/69/38/180186938.db2.gz MVOPTMDZWFGRTL-SVRRBLITSA-N 1 0 258.243 2.170 10 0 CEAERO COC(=O)c1c(C)c(C)sc1NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091546001 180186999 /nfs/dbraw/zinc/18/69/99/180186999.db2.gz PWPIKKRUWHYTMI-NXEZZACHSA-N 1 0 296.392 2.217 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCCc2ccc(Cl)cc2)C1 ZINC000091546858 180187552 /nfs/dbraw/zinc/18/75/52/180187552.db2.gz QJNYRJYUXGTMES-DGCLKSJQSA-N 1 0 266.772 2.126 10 0 CEAERO CCOc1ccc(CN(C)C(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000091547336 180187666 /nfs/dbraw/zinc/18/76/66/180187666.db2.gz UIBCRKPLXNJKNQ-UONOGXRCSA-N 1 0 276.380 2.171 10 0 CEAERO CCCN1C(=O)C[C@@H]([NH2+]C2CCC(CC)CC2)C1=O ZINC000105025765 186038753 /nfs/dbraw/zinc/03/87/53/186038753.db2.gz HZSNQUOUKPAGJU-WXRRBKDZSA-N 1 0 266.385 2.082 10 0 CEAERO CCn1ncnc1C[C@H](NC)C(CC)(CC)[NH+](CC)CC ZINC000091633874 180210071 /nfs/dbraw/zinc/21/00/71/180210071.db2.gz HLTPCQBTKNGMOR-AWEZNQCLSA-N 1 0 295.475 2.329 10 0 CEAERO CC[NH2+][C@H](c1cc(F)ccc1F)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721545 180239172 /nfs/dbraw/zinc/23/91/72/180239172.db2.gz PWMLFIICSASRAC-UHOFOFEASA-N 1 0 296.361 2.479 10 0 CEAERO O=C(NC[C@H]1CC=CCC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105196093 186046340 /nfs/dbraw/zinc/04/63/40/186046340.db2.gz QJERWEGNYNLCGB-LSDHHAIUSA-N 1 0 277.412 2.222 10 0 CEAERO CCC(CC)([C@@H](O)c1nccn1C)[NH+]1CCCC1 ZINC000091634617 180211166 /nfs/dbraw/zinc/21/11/66/180211166.db2.gz DVZSBEHUNGOZMB-LBPRGKRZSA-N 1 0 251.374 2.108 10 0 CEAERO CCCn1cc([C@@H]([NH2+]C)C2(N(C)C)CCCC2)cn1 ZINC000091637806 180211864 /nfs/dbraw/zinc/21/18/64/180211864.db2.gz VXFFDEPTKJBCFN-CQSZACIVSA-N 1 0 264.417 2.428 10 0 CEAERO CCC[NH2+][C@H](Cc1cnn(C)c1)C1(N(C)C)CCCC1 ZINC000091638312 180212105 /nfs/dbraw/zinc/21/21/05/180212105.db2.gz FZWXXIOOXNFDNP-OAHLLOKOSA-N 1 0 278.444 2.205 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccnc(N)c1)C1(N(C)C)CCCC1 ZINC000091638277 180212375 /nfs/dbraw/zinc/21/23/75/180212375.db2.gz WIJZHULWPYODJT-HNNXBMFYSA-N 1 0 290.455 2.449 10 0 CEAERO CC(C)n1ccc(C[C@@H](N)C2([NH+](C)C)CCCC2)n1 ZINC000091637423 180212735 /nfs/dbraw/zinc/21/27/35/180212735.db2.gz NZGDDHNHICQSHP-CQSZACIVSA-N 1 0 264.417 2.208 10 0 CEAERO O[C@H](c1cnccn1)C1([NH+]2CCCCC2)CCCC1 ZINC000091641683 180212897 /nfs/dbraw/zinc/21/28/97/180212897.db2.gz GXGRSJHEWKYQDW-CQSZACIVSA-N 1 0 261.369 2.309 10 0 CEAERO CCCC[C@@H]([NH2+]C)C1(N2CCOCC2)CCCC1 ZINC000091643106 180214327 /nfs/dbraw/zinc/21/43/27/180214327.db2.gz SYMPAGJGPRDUGV-CQSZACIVSA-N 1 0 254.418 2.410 10 0 CEAERO [NH3+][C@H](Cc1cccs1)C1(N2CCOCC2)CCCC1 ZINC000091642964 180214367 /nfs/dbraw/zinc/21/43/67/180214367.db2.gz XKUMCDBBYMFZNZ-CQSZACIVSA-N 1 0 280.437 2.263 10 0 CEAERO CCC[NH2+][C@@H](CC)C1(N2CCOCC2)CCCC1 ZINC000091646317 180215143 /nfs/dbraw/zinc/21/51/43/180215143.db2.gz JSXOSYZJYPBCMJ-AWEZNQCLSA-N 1 0 254.418 2.410 10 0 CEAERO CCn1cc(C[C@@H]([NH2+]C)C2(N(C)C)CCCCC2)cn1 ZINC000091647476 180215778 /nfs/dbraw/zinc/21/57/78/180215778.db2.gz XPHYGLZVOMFZPC-OAHLLOKOSA-N 1 0 278.444 2.298 10 0 CEAERO C[NH2+][C@@H](c1ccnn1C)C1(N(C)C)CCCCCC1 ZINC000091654517 180216900 /nfs/dbraw/zinc/21/69/00/180216900.db2.gz SAAHCYNWXRNISD-AWEZNQCLSA-N 1 0 264.417 2.335 10 0 CEAERO CCCn1ncnc1C[C@H](O)C1([NH+](C)C)CCCCCC1 ZINC000091653773 180217457 /nfs/dbraw/zinc/21/74/57/180217457.db2.gz DKYUNLAGTHIGQH-AWEZNQCLSA-N 1 0 294.443 2.246 10 0 CEAERO CCOC(=O)CCC[NH2+][C@H]1CCCc2cccnc21 ZINC000091661776 180219518 /nfs/dbraw/zinc/21/95/18/180219518.db2.gz AGWLKQGKBLNIKA-ZDUSSCGKSA-N 1 0 262.353 2.392 10 0 CEAERO Cc1cc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nc(C(C)C)n1 ZINC000091673026 180224772 /nfs/dbraw/zinc/22/47/72/180224772.db2.gz HHVZFIURDKARIN-ZIAGYGMSSA-N 1 0 290.411 2.184 10 0 CEAERO CC[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1ccccc1F ZINC000624238817 350241936 /nfs/dbraw/zinc/24/19/36/350241936.db2.gz ZEVXHRXTQGPGML-MELADBBJSA-N 1 0 253.317 2.016 10 0 CEAERO CC[NH2+][C@H](Cc1ccc(CC)cc1)[C@H]1CN(C)CCO1 ZINC000091718285 180233685 /nfs/dbraw/zinc/23/36/85/180233685.db2.gz VUYLELVVFYYEBW-IAGOWNOFSA-N 1 0 276.424 2.100 10 0 CEAERO C[NH2+][C@H](C[C@@H]1CCCc2ccccc21)[C@@H]1CN(C)CCO1 ZINC000091718171 180233792 /nfs/dbraw/zinc/23/37/92/180233792.db2.gz ISVXCMXURLMGPD-JQHSSLGASA-N 1 0 288.435 2.415 10 0 CEAERO CCC[NH2+][C@H](Cc1ncc(C)c(OC)c1C)CN(C)C ZINC000091719919 180234092 /nfs/dbraw/zinc/23/40/92/180234092.db2.gz FPYMRTCRNIROHL-CQSZACIVSA-N 1 0 279.428 2.179 10 0 CEAERO C[NH2+][C@H](Cc1cccc(C(F)(F)F)c1)CN(C)C ZINC000091719663 180234143 /nfs/dbraw/zinc/23/41/43/180234143.db2.gz AFJPNOULEKHVDN-GFCCVEGCSA-N 1 0 260.303 2.398 10 0 CEAERO CCC[NH2+][C@H](c1ccc(OC)cc1)[C@H]1CN(C)CCO1 ZINC000091719257 180234216 /nfs/dbraw/zinc/23/42/16/180234216.db2.gz XTYKEKNSFOURFK-HZPDHXFCSA-N 1 0 278.396 2.067 10 0 CEAERO CCOc1ccc([C@@H](CN(C)C)[NH2+]C)cc1OCC ZINC000091719630 180234351 /nfs/dbraw/zinc/23/43/51/180234351.db2.gz TUZWEKZSTXRCPQ-CYBMUJFWSA-N 1 0 266.385 2.306 10 0 CEAERO CCC[NH2+][C@H](Cc1c(Cl)c(C)nn1CC)CN(C)C ZINC000091720045 180235383 /nfs/dbraw/zinc/23/53/83/180235383.db2.gz HSTHQQOHSSUUQB-GFCCVEGCSA-N 1 0 286.851 2.337 10 0 CEAERO CC[NH2+][C@H](c1ccccc1F)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721773 180237701 /nfs/dbraw/zinc/23/77/01/180237701.db2.gz YUNNLMCUSURNKY-UHOFOFEASA-N 1 0 278.371 2.340 10 0 CEAERO CN[C@H](c1ccc(F)c(F)c1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721239 180238368 /nfs/dbraw/zinc/23/83/68/180238368.db2.gz JNKHDTOIHLRCCJ-KCPJHIHWSA-N 1 0 282.334 2.089 10 0 CEAERO CCc1ccc([C@H]([NH2+]C)c2ccc3c(c2)NC(=O)CO3)o1 ZINC000091760394 180247423 /nfs/dbraw/zinc/24/74/23/180247423.db2.gz FHBIDZQUJLLZFH-MRXNPFEDSA-N 1 0 286.331 2.482 10 0 CEAERO CCc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2C[NH3+])o1 ZINC000091762969 180248178 /nfs/dbraw/zinc/24/81/78/180248178.db2.gz RQLUZBOKFMIIJU-WCQYABFASA-N 1 0 264.369 2.432 10 0 CEAERO CCc1ccc(C(=O)N(C)[C@@H]2CCC[C@H]2C[NH3+])o1 ZINC000091762946 180248317 /nfs/dbraw/zinc/24/83/17/180248317.db2.gz KXJQQABFVOJGCG-CMPLNLGQSA-N 1 0 250.342 2.041 10 0 CEAERO CCc1ccc(C(=O)N2CCCC[C@H]2C[NH2+]C)o1 ZINC000091762591 180248538 /nfs/dbraw/zinc/24/85/38/180248538.db2.gz MDRWHJDSUIGZFH-NSHDSACASA-N 1 0 250.342 2.056 10 0 CEAERO CC[NH2+][C@H](C)c1cccn1CC(=O)NC1CCCC1 ZINC000091801946 180259391 /nfs/dbraw/zinc/25/93/91/180259391.db2.gz HNDCIEXAJVAROU-GFCCVEGCSA-N 1 0 263.385 2.217 10 0 CEAERO Cc1ccc(C)n1NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091795806 180257783 /nfs/dbraw/zinc/25/77/83/180257783.db2.gz UIEUGISTEMWAOA-KKUMJFAQSA-N 1 0 275.396 2.486 10 0 CEAERO CC[NH2+][C@@H](C)c1cccn1CCC(=O)NC(C)C ZINC000091801433 180259141 /nfs/dbraw/zinc/25/91/41/180259141.db2.gz UNIHZINATHXSEX-LBPRGKRZSA-N 1 0 251.374 2.073 10 0 CEAERO Cc1nc(CN(C)C)nc(C)c1CC[NH2+]C(C)(C)C ZINC000091723695 180242494 /nfs/dbraw/zinc/24/24/94/180242494.db2.gz IVYZEHNQGWVNJZ-UHFFFAOYSA-N 1 0 264.417 2.086 10 0 CEAERO C[NH2+][C@H](C)c1cccn1CC(=O)Nc1cccc(OC)c1 ZINC000091800875 180259297 /nfs/dbraw/zinc/25/92/97/180259297.db2.gz BFQNTDBNANULMX-GFCCVEGCSA-N 1 0 287.363 2.416 10 0 CEAERO CCN(C(=O)c1cccc(C)n1)C1CCC([NH3+])CC1 ZINC000091850304 180272464 /nfs/dbraw/zinc/27/24/64/180272464.db2.gz PIAZAUOGISVYGR-UHFFFAOYSA-N 1 0 261.369 2.122 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)c2ccccc2F)CC1 ZINC000091854416 180274817 /nfs/dbraw/zinc/27/48/17/180274817.db2.gz BUIZSGZTSPCNBR-UHFFFAOYSA-N 1 0 264.344 2.428 10 0 CEAERO C[C@H]([NH3+])c1ccn(CC(=O)NC2CCCCCC2)c1 ZINC000091803574 180259891 /nfs/dbraw/zinc/25/98/91/180259891.db2.gz CHVFZKQWEOVVRQ-LBPRGKRZSA-N 1 0 263.385 2.347 10 0 CEAERO CC[NH2+][C@@H](C)c1ccn(CCC(=O)NC(C)C)c1 ZINC000091804830 180260295 /nfs/dbraw/zinc/26/02/95/180260295.db2.gz RITKNVOQQFZMMD-LBPRGKRZSA-N 1 0 251.374 2.073 10 0 CEAERO CCC[NH2+][C@H](CC)c1ccn(CC(=O)N[C@H](C)COC)c1 ZINC000091818326 180262705 /nfs/dbraw/zinc/26/27/05/180262705.db2.gz ITPLSAZGECMZOI-UKRRQHHQSA-N 1 0 295.427 2.090 10 0 CEAERO CCC[C@H]([NH3+])c1ccn(CC(=O)N[C@H](C)CC)c1 ZINC000091820730 180263957 /nfs/dbraw/zinc/26/39/57/180263957.db2.gz RZKMSXNTQRIGFX-YPMHNXCESA-N 1 0 251.374 2.203 10 0 CEAERO CCC[C@H]([NH2+]CC)c1ccn(CC(=O)NCCCOC)c1 ZINC000091823116 180264027 /nfs/dbraw/zinc/26/40/27/180264027.db2.gz ZMBPAOXSFOWBRA-HNNXBMFYSA-N 1 0 295.427 2.092 10 0 CEAERO C[NH2+][C@@H](c1ccn(CCOCCOC)c1)C(C)C ZINC000091826769 180264500 /nfs/dbraw/zinc/26/45/00/180264500.db2.gz YCGJKOGGHLMUFE-CQSZACIVSA-N 1 0 254.374 2.068 10 0 CEAERO CCC[NH2+][C@H](c1ccn(CC(=O)OC)c1)C1CC1 ZINC000091838835 180268042 /nfs/dbraw/zinc/26/80/42/180268042.db2.gz UGISNGAABDHDCK-AWEZNQCLSA-N 1 0 250.342 2.112 10 0 CEAERO CCc1nn(C)c(CN(C)C2CCC([NH3+])CC2)c1Cl ZINC000091846797 180270592 /nfs/dbraw/zinc/27/05/92/180270592.db2.gz QZQRLNSDMAVHLI-UHFFFAOYSA-N 1 0 284.835 2.338 10 0 CEAERO CN(Cc1noc(-c2ccsc2)n1)C1CCC([NH3+])CC1 ZINC000091847230 180271023 /nfs/dbraw/zinc/27/10/23/180271023.db2.gz UHDKWBHLHBNXJJ-UHFFFAOYSA-N 1 0 292.408 2.500 10 0 CEAERO CCN(Cc1nnsc1Cl)C1CCC([NH3+])CC1 ZINC000091851101 180272027 /nfs/dbraw/zinc/27/20/27/180272027.db2.gz FULADHDGWSEGEL-UHFFFAOYSA-N 1 0 274.821 2.283 10 0 CEAERO [NH3+]C[C@]1([C@@H](O)c2cncn2C2CC2)CCc2ccccc21 ZINC000091926590 180287646 /nfs/dbraw/zinc/28/76/46/180287646.db2.gz JXEOMERSFGNWPC-DLBZAZTESA-N 1 0 283.375 2.094 10 0 CEAERO CCN(CC)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000091962078 180292990 /nfs/dbraw/zinc/29/29/90/180292990.db2.gz ZNGKSOAGLKPKKE-QWHCGFSZSA-N 1 0 253.390 2.055 10 0 CEAERO [NH3+]CCCN(C(=O)N1CCCC1)c1ccc(F)cc1 ZINC000091962950 180293213 /nfs/dbraw/zinc/29/32/13/180293213.db2.gz RULLGYNOZXANKO-UHFFFAOYSA-N 1 0 265.332 2.197 10 0 CEAERO CCN(C(=O)N1CCCCC1)[C@H]1CCC[C@@H]1C[NH3+] ZINC000091969542 180294591 /nfs/dbraw/zinc/29/45/91/180294591.db2.gz AWNVLEMFAFTQRC-OLZOCXBDSA-N 1 0 253.390 2.042 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)c2cccs2)CC1 ZINC000091872243 180277791 /nfs/dbraw/zinc/27/77/91/180277791.db2.gz NDOLWNWCLXKDML-UHFFFAOYSA-N 1 0 252.383 2.351 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)c2snnc2C(C)C)CC1 ZINC000091872332 180277931 /nfs/dbraw/zinc/27/79/31/180277931.db2.gz PZEFTUASCXHOOG-UHFFFAOYSA-N 1 0 296.440 2.264 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)C[C@@H]2C=CCC2)CC1 ZINC000091872223 180278283 /nfs/dbraw/zinc/27/82/83/180278283.db2.gz BOQWOGWJZDMTCB-IYXRBSQSSA-N 1 0 250.386 2.332 10 0 CEAERO C[C@@](O)(c1ccc(Cl)cc1)C1(C[NH3+])CCOCC1 ZINC000091905690 180284108 /nfs/dbraw/zinc/28/41/08/180284108.db2.gz GVWNDQPRJHBBAR-CYBMUJFWSA-N 1 0 269.772 2.303 10 0 CEAERO [NH3+]C[C@@]1(C2(O)CCC(c3ccccc3)CC2)CCOC1 ZINC000091904741 180284212 /nfs/dbraw/zinc/28/42/12/180284212.db2.gz MPSANTZCXDCILE-CGZBRXJRSA-N 1 0 275.392 2.441 10 0 CEAERO CC[C@H](C[NH3+])[C@@H](O)c1cc2c(c(Cl)c1)OCO2 ZINC000091909966 180284703 /nfs/dbraw/zinc/28/47/03/180284703.db2.gz SYVVISDWGDEGBQ-RDDDGLTNSA-N 1 0 257.717 2.087 10 0 CEAERO [NH3+]CC1([C@@H](O)c2ccccc2)Cc2ccccc2C1 ZINC000091909519 180284803 /nfs/dbraw/zinc/28/48/03/180284803.db2.gz KPVJWLDXFCBHFY-INIZCTEOSA-N 1 0 253.345 2.464 10 0 CEAERO CC[C@](C)(C[NH3+])[C@H](O)c1cc(OC)c(OC)c(OC)c1 ZINC000091910206 180285172 /nfs/dbraw/zinc/28/51/72/180285172.db2.gz KNYNIBCTGVDAPZ-HUUCEWRRSA-N 1 0 283.368 2.121 10 0 CEAERO [NH3+]C[C@@]1([C@H](O)c2cccc(Cl)c2Cl)CCOC1 ZINC000091910608 180285260 /nfs/dbraw/zinc/28/52/60/180285260.db2.gz FZCNHKSZIIVOOW-NEPJUHHUSA-N 1 0 276.163 2.392 10 0 CEAERO CC(C)(C)C[C@@H](O)[C@]1(C[NH3+])COc2ccccc2C1 ZINC000091918069 180286081 /nfs/dbraw/zinc/28/60/81/180286081.db2.gz WHWQOZBXRCRVHG-GDBMZVCRSA-N 1 0 263.381 2.364 10 0 CEAERO CCC[C@H]1C[C@@](O)(C2(C[NH3+])Cc3ccccc3C2)CCO1 ZINC000091918789 180286666 /nfs/dbraw/zinc/28/66/66/180286666.db2.gz VUAZPEZYPSNIII-FUHWJXTLSA-N 1 0 289.419 2.441 10 0 CEAERO [NH3+]CC1([C@@H](O)c2ccc3ccccc3n2)CCOCC1 ZINC000091921906 180286678 /nfs/dbraw/zinc/28/66/78/180286678.db2.gz LVSXPVUIAGKALP-HNNXBMFYSA-N 1 0 272.348 2.024 10 0 CEAERO CCCC1CCC(C[NH3+])([C@@]2(O)CCCOC2)CC1 ZINC000091919174 180286828 /nfs/dbraw/zinc/28/68/28/180286828.db2.gz CUYCENIWYNQPGZ-YMAMQOFZSA-N 1 0 255.402 2.463 10 0 CEAERO CC[C@H]([NH3+])c1ccccc1OC[C@H]1CN(CC)CCO1 ZINC000092050981 180311712 /nfs/dbraw/zinc/31/17/12/180311712.db2.gz VXPATPZEECWHQZ-HIFRSBDPSA-N 1 0 278.396 2.196 10 0 CEAERO CCN1CCO[C@H](COc2ccc(C)cc2[C@@H](C)[NH3+])C1 ZINC000092051180 180312540 /nfs/dbraw/zinc/31/25/40/180312540.db2.gz RLIOIKHTJPMQBB-KGLIPLIRSA-N 1 0 278.396 2.114 10 0 CEAERO CCN1CCO[C@H](COc2ccc(C)cc2[C@H](C)[NH3+])C1 ZINC000092051341 180312594 /nfs/dbraw/zinc/31/25/94/180312594.db2.gz RLIOIKHTJPMQBB-KBPBESRZSA-N 1 0 278.396 2.114 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]C2CCCCCCC2)C1 ZINC000092051831 180313259 /nfs/dbraw/zinc/31/32/59/180313259.db2.gz YCVOUGHISVILPV-HNNXBMFYSA-N 1 0 254.418 2.410 10 0 CEAERO CCN(C(=O)N1CCCCCC1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000091971705 180295692 /nfs/dbraw/zinc/29/56/92/180295692.db2.gz CFMLUWWNMWVYIL-ZIAGYGMSSA-N 1 0 267.417 2.432 10 0 CEAERO CCN(C)C(=O)N(CCC[NH3+])c1ccc(F)cc1 ZINC000091972559 180296041 /nfs/dbraw/zinc/29/60/41/180296041.db2.gz NWRWBKVONDPIRI-UHFFFAOYSA-N 1 0 253.321 2.053 10 0 CEAERO C[C@@H]1CCCN(C(=O)N(C)c2cccc(C[NH3+])c2)C1 ZINC000091972749 180296133 /nfs/dbraw/zinc/29/61/33/180296133.db2.gz IYCUFBQDPJNFTL-GFCCVEGCSA-N 1 0 261.369 2.433 10 0 CEAERO CC[C@H]([NH3+])Cc1cccc(OC[C@@H]2CN(CC)CCO2)c1 ZINC000092060665 180315281 /nfs/dbraw/zinc/31/52/81/180315281.db2.gz YOOJVCRPVNRIDS-RDJZCZTQSA-N 1 0 292.423 2.066 10 0 CEAERO C[C@@H]1CCCN(C(=O)N(C)c2cccc(C(N)=[NH2+])c2)C1 ZINC000091993295 180300316 /nfs/dbraw/zinc/30/03/16/180300316.db2.gz WEBHQJTZUOWFRJ-LLVKDONJSA-N 1 0 274.368 2.259 10 0 CEAERO CC1CCN(C(=O)Nc2ccccc2C(N)=[NH2+])CC1 ZINC000091993288 180300470 /nfs/dbraw/zinc/30/04/70/180300470.db2.gz NCBBTLZBCNKOPR-UHFFFAOYSA-N 1 0 260.341 2.234 10 0 CEAERO CC(C)CN(CCC(N)=[NH2+])C(=O)N1CCC[C@@H](C)C1 ZINC000091993259 180300632 /nfs/dbraw/zinc/30/06/32/180300632.db2.gz CTFFEPZTIWMHEL-GFCCVEGCSA-N 1 0 268.405 2.122 10 0 CEAERO Cc1ccc(OCC(=O)Nc2ccccc2C)c(C[NH3+])n1 ZINC000091994070 180301052 /nfs/dbraw/zinc/30/10/52/180301052.db2.gz PQSHYODGTVRPJR-UHFFFAOYSA-N 1 0 285.347 2.175 10 0 CEAERO Cc1ccc(OC[C@](C)(O)c2ccccc2)c(C[NH3+])n1 ZINC000091993721 180301594 /nfs/dbraw/zinc/30/15/94/180301594.db2.gz LGGGWIVUSVNZEU-INIZCTEOSA-N 1 0 272.348 2.135 10 0 CEAERO CCC[NH2+]Cc1nc(C)ccc1OC[C@H](O)CC ZINC000091995153 180301918 /nfs/dbraw/zinc/30/19/18/180301918.db2.gz XTPZIHGEPGAXMR-GFCCVEGCSA-N 1 0 252.358 2.039 10 0 CEAERO CCn1ncnc1COc1ccc(C)nc1C[NH2+]C(C)C ZINC000091995412 180302276 /nfs/dbraw/zinc/30/22/76/180302276.db2.gz FCMBTVIFAPSNEH-UHFFFAOYSA-N 1 0 289.383 2.078 10 0 CEAERO CCCCNC(=O)COc1ccc(C)nc1C[NH2+]CCC ZINC000091995040 180302366 /nfs/dbraw/zinc/30/23/66/180302366.db2.gz KQECBZYLPSZCEW-UHFFFAOYSA-N 1 0 293.411 2.185 10 0 CEAERO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1cccc(C)c1 ZINC000092098267 180324725 /nfs/dbraw/zinc/32/47/25/180324725.db2.gz CWIGLMUASREPNQ-HNNXBMFYSA-N 1 0 298.390 2.096 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000092133530 180331068 /nfs/dbraw/zinc/33/10/68/180331068.db2.gz PRHDFSKFFNAGII-IUODEOHRSA-N 1 0 272.348 2.341 10 0 CEAERO CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@@H](C)C[NH2+]C ZINC000092136069 180333108 /nfs/dbraw/zinc/33/31/08/180333108.db2.gz DCHMVZBAMLOPQH-QMMMGPOBSA-N 1 0 298.408 2.336 10 0 CEAERO COC(C)(C)c1noc(-c2csc([C@H](C)[NH3+])n2)n1 ZINC000092138066 180333769 /nfs/dbraw/zinc/33/37/69/180333769.db2.gz RJSXTBYUWXVDHH-LURJTMIESA-N 1 0 268.342 2.094 10 0 CEAERO C[NH2+][C@@H](Cc1ccc(OC)c(F)c1)C(C)(C)OC ZINC000092138824 180333801 /nfs/dbraw/zinc/33/38/01/180333801.db2.gz CRKKYFVOFYNDDH-ZDUSSCGKSA-N 1 0 255.333 2.390 10 0 CEAERO COC(C)(C)[C@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000092138767 180333843 /nfs/dbraw/zinc/33/38/43/180333843.db2.gz DTZINQCAQNTJOM-CYBMUJFWSA-N 1 0 251.326 2.273 10 0 CEAERO C[NH2+]C1CCC(c2nc(C(C)(C)OC)no2)CC1 ZINC000092141586 180334234 /nfs/dbraw/zinc/33/42/34/180334234.db2.gz NDPZFDSDRVUAAH-UHFFFAOYSA-N 1 0 253.346 2.197 10 0 CEAERO C[C@@H](O)CCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000092151324 180334726 /nfs/dbraw/zinc/33/47/26/180334726.db2.gz GIOOYEHQHRXWPD-ZBFHGGJFSA-N 1 0 290.407 2.101 10 0 CEAERO Cc1cc(N)ccc1NC(=O)C[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000092080675 180318464 /nfs/dbraw/zinc/31/84/64/180318464.db2.gz ZNRAWKCGIUCDKB-TXEJJXNPSA-N 1 0 261.369 2.104 10 0 CEAERO Cc1ccc(N)cc1NC(=O)CC[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000092081268 180319728 /nfs/dbraw/zinc/31/97/28/180319728.db2.gz KHIOVNOZWIZZJI-BETUJISGSA-N 1 0 275.396 2.494 10 0 CEAERO COc1ccc([C@H](C[NH3+])N2C[C@H](C)[C@@H](C)C2)c(OC)c1 ZINC000092083487 180320134 /nfs/dbraw/zinc/32/01/34/180320134.db2.gz WVJQGXCBEWGQGF-HUBLWGQQSA-N 1 0 278.396 2.291 10 0 CEAERO C[NH2+][C@@H](CN1C[C@H](C)[C@H](C)C1)c1ccc2c(c1)OCO2 ZINC000092084389 180320256 /nfs/dbraw/zinc/32/02/56/180320256.db2.gz ZKZSAZMPEPLQDQ-SCRDCRAPSA-N 1 0 276.380 2.264 10 0 CEAERO CCOC(=O)[C@](C)(CCC[N@@H+]1C[C@H](C)[C@H](C)C1)NC1CC1 ZINC000092087577 180320986 /nfs/dbraw/zinc/32/09/86/180320986.db2.gz SJRKBYCJCGWZLG-VBQJREDUSA-N 1 0 296.455 2.428 10 0 CEAERO CCN[C@](C)(C[C@@H](C)[N@@H+]1C[C@H](C)[C@H](C)C1)C(=O)OCC ZINC000092087464 180321388 /nfs/dbraw/zinc/32/13/88/180321388.db2.gz AYKPVCJHCOPJFP-HLPPOEQASA-N 1 0 284.444 2.284 10 0 CEAERO CC[NH2+][C@](C)(CCCC[N@@H+]1C[C@H](C)[C@H](C)C1)C(=O)[O-] ZINC000092087399 180321640 /nfs/dbraw/zinc/32/16/40/180321640.db2.gz YLYPSPNZEQIIGM-VNHYZAJKSA-N 1 0 270.417 2.197 10 0 CEAERO C[C@@H]1CN(c2cncc(C[NH2+]C(C)(C)C)n2)C[C@H]1C ZINC000092088909 180321726 /nfs/dbraw/zinc/32/17/26/180321726.db2.gz TVDUGOCKQRQBGB-VXGBXAGGSA-N 1 0 262.401 2.457 10 0 CEAERO C[NH2+][C@@H](CN1C(=O)[C@H](C)[C@H](C)C1=O)c1ccc(C)c(C)c1 ZINC000092094258 180323129 /nfs/dbraw/zinc/32/31/29/180323129.db2.gz CLDOUHWVWXSBEG-GUTXKFCHSA-N 1 0 288.391 2.205 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)Nc2cccc(Cl)c2F)C1 ZINC000092201824 180342725 /nfs/dbraw/zinc/34/27/25/180342725.db2.gz GOESIJTUKKRLRV-YUMQZZPRSA-N 1 0 254.692 2.321 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2ccc(F)cc2Cl)C1 ZINC000092201863 180342812 /nfs/dbraw/zinc/34/28/12/180342812.db2.gz FRLDATPYZQXDSI-VXNVDRBHSA-N 1 0 254.692 2.321 10 0 CEAERO CC(C)Oc1ccc(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)cc1 ZINC000092201829 180342829 /nfs/dbraw/zinc/34/28/29/180342829.db2.gz VZWCBWGGERGXEX-NEPJUHHUSA-N 1 0 260.337 2.316 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)Nc2cccc3c2CCCC3)C1 ZINC000092201241 180342967 /nfs/dbraw/zinc/34/29/67/180342967.db2.gz YJKNDHQFHANGAL-STQMWFEESA-N 1 0 256.349 2.407 10 0 CEAERO CCc1ccc(CN(C)C(=O)[C@H]2C=C[C@@H]([NH3+])C2)cc1 ZINC000092202074 180343037 /nfs/dbraw/zinc/34/30/37/180343037.db2.gz QCTSMMNLIRWFNT-LSDHHAIUSA-N 1 0 258.365 2.111 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000092201797 180343053 /nfs/dbraw/zinc/34/30/53/180343053.db2.gz HAGLICGKRMVHBE-SFYZADRCSA-N 1 0 254.692 2.321 10 0 CEAERO CCCOc1cccc(NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)c1 ZINC000092202992 180343323 /nfs/dbraw/zinc/34/33/23/180343323.db2.gz WRBVJQYQDBFXQM-VXGBXAGGSA-N 1 0 260.337 2.317 10 0 CEAERO C[C@H](NC(=O)[C@H]1C=C[C@@H]([NH3+])C1)c1ccc(Cl)s1 ZINC000092202955 180343394 /nfs/dbraw/zinc/34/33/94/180343394.db2.gz BWQAQQAQWHIRHM-XHNCKOQMSA-N 1 0 270.785 2.482 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)Nc2cccc3c(O)cccc23)C1 ZINC000092203542 180343488 /nfs/dbraw/zinc/34/34/88/180343488.db2.gz DIXAXDFYALQBNQ-MNOVXSKESA-N 1 0 268.316 2.387 10 0 CEAERO CCOC(=O)Nc1ccc(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)cc1 ZINC000092203077 180343546 /nfs/dbraw/zinc/34/35/46/180343546.db2.gz RIHLNHSZAOHUKX-WDEREUQCSA-N 1 0 289.335 2.097 10 0 CEAERO CCOc1ccc(NC(=O)[C@H]2C=C[C@H]([NH3+])C2)c(C)c1 ZINC000092204269 180343623 /nfs/dbraw/zinc/34/36/23/180343623.db2.gz WHFKKQKHKNQHRE-RYUDHWBXSA-N 1 0 260.337 2.236 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2cccc(N3CCCC3)c2)C1 ZINC000092204140 180343814 /nfs/dbraw/zinc/34/38/14/180343814.db2.gz QGMLKJXNPQMADN-CHWSQXEVSA-N 1 0 271.364 2.129 10 0 CEAERO CN(Cc1ccccc1Cl)C(=O)[C@@H]1C=C[C@H]([NH3+])C1 ZINC000092204404 180343829 /nfs/dbraw/zinc/34/38/29/180343829.db2.gz JTPJZQGTUKDEPB-PWSUYJOCSA-N 1 0 264.756 2.202 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)Nc2cccc(-n3cccc3)c2)C1 ZINC000092203835 180343936 /nfs/dbraw/zinc/34/39/36/180343936.db2.gz QJJLHMPUQHDMOL-STQMWFEESA-N 1 0 267.332 2.319 10 0 CEAERO C[C@H](NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000092206671 180344081 /nfs/dbraw/zinc/34/40/81/180344081.db2.gz NBLGWWNHCNYNGI-UFGOTCBOSA-N 1 0 264.756 2.421 10 0 CEAERO CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1C=C[C@H]([NH3+])C1 ZINC000092205278 180344145 /nfs/dbraw/zinc/34/41/45/180344145.db2.gz GBKGFJWTLXUVIQ-NEPJUHHUSA-N 1 0 280.318 2.217 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)NCc2cccc3ccccc32)C1 ZINC000092207298 180344183 /nfs/dbraw/zinc/34/41/83/180344183.db2.gz RPTGSRINVGIPNA-HIFRSBDPSA-N 1 0 266.344 2.359 10 0 CEAERO C[C@@H]1CC[C@@H](C[NH3+])CN1C(=O)[C@@H]1Cc2ccccc2S1 ZINC000092232281 180348374 /nfs/dbraw/zinc/34/83/74/180348374.db2.gz DXVMUXHEUBEJPN-XUJVJEKNSA-N 1 0 290.432 2.289 10 0 CEAERO CSc1ccc(C(=O)N[C@H](C[NH3+])C(C)C)cc1 ZINC000092232375 180348655 /nfs/dbraw/zinc/34/86/55/180348655.db2.gz XMYVPKPYHDYENP-GFCCVEGCSA-N 1 0 252.383 2.122 10 0 CEAERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1c(F)cccc1F ZINC000105872203 186080955 /nfs/dbraw/zinc/08/09/55/186080955.db2.gz UEKSDCZHTFCORB-ZJUUUORDSA-N 1 0 278.306 2.222 10 0 CEAERO c1ccc(SCC[NH2+]CCCN2CCOCC2)cc1 ZINC000092242463 180351240 /nfs/dbraw/zinc/35/12/40/180351240.db2.gz RNUVFNUIVBPJRV-UHFFFAOYSA-N 1 0 280.437 2.091 10 0 CEAERO C[C@H](C[NH3+])c1noc([C@@H]2CSc3ccccc32)n1 ZINC000092240231 180351621 /nfs/dbraw/zinc/35/16/21/180351621.db2.gz UHDVXQBEJBKLIR-PSASIEDQSA-N 1 0 261.350 2.369 10 0 CEAERO c1cc(C[NH2+]C2CC2)n(C[C@H]2COc3ccccc32)n1 ZINC000092306719 180360431 /nfs/dbraw/zinc/36/04/31/180360431.db2.gz LRSBXSHFPQIOJG-LBPRGKRZSA-N 1 0 269.348 2.311 10 0 CEAERO C[N@H+](CCC(N)=S)C[C@H]1CSc2ccccc21 ZINC000092275940 180356165 /nfs/dbraw/zinc/35/61/65/180356165.db2.gz BMTLOULGUKEANY-JTQLQIEISA-N 1 0 266.435 2.484 10 0 CEAERO c1ccc(SCCN2CC[NH2+]C[C@H]2C2CC2)cc1 ZINC000092272708 180356182 /nfs/dbraw/zinc/35/61/82/180356182.db2.gz DBFMSEYUSIELAA-HNNXBMFYSA-N 1 0 262.422 2.463 10 0 CEAERO c1ccc(SCCN2CC[NH2+][C@H](C3CC3)C2)cc1 ZINC000092272635 180356561 /nfs/dbraw/zinc/35/65/61/180356561.db2.gz NPJIEYGVGYWOHV-HNNXBMFYSA-N 1 0 262.422 2.463 10 0 CEAERO COCCN(C)CC[NH2+]C[C@H]1CSc2ccccc21 ZINC000092275477 180356590 /nfs/dbraw/zinc/35/65/90/180356590.db2.gz HTVLUJLRPMHWOJ-ZDUSSCGKSA-N 1 0 280.437 2.044 10 0 CEAERO COc1ncccc1C[NH2+]C[C@H]1COc2ccccc21 ZINC000092299697 180358882 /nfs/dbraw/zinc/35/88/82/180358882.db2.gz ZLEDQJVJYYKPOL-ZDUSSCGKSA-N 1 0 270.332 2.356 10 0 CEAERO c1ncn(C[C@H]2CCC[N@@H+](CCc3ccccc3)C2)n1 ZINC000105883479 186082597 /nfs/dbraw/zinc/08/25/97/186082597.db2.gz LTHHTVWDCFULNV-INIZCTEOSA-N 1 0 270.380 2.233 10 0 CEAERO CCCN(C[C@@H]1COc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000092304469 180359699 /nfs/dbraw/zinc/35/96/99/180359699.db2.gz NYDLEIXMQHAIAM-ZIAGYGMSSA-N 1 0 260.381 2.237 10 0 CEAERO CC(C)[N@@H+](CC(N)=S)C[C@@H]1COc2ccccc21 ZINC000092301830 180359754 /nfs/dbraw/zinc/35/97/54/180359754.db2.gz NYAHPQMOQRZXFO-LLVKDONJSA-N 1 0 264.394 2.159 10 0 CEAERO COc1ccccc1-c1noc([C@@H]2C=C[C@@H]([NH3+])C2)n1 ZINC000092181406 180338241 /nfs/dbraw/zinc/33/82/41/180338241.db2.gz RIBULWKYEKPHLK-NXEZZACHSA-N 1 0 257.293 2.116 10 0 CEAERO CC[C@@H]1CN(CCc2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000105826224 186074053 /nfs/dbraw/zinc/07/40/53/186074053.db2.gz LNGOGEFOYITVEX-NVXWUHKLSA-N 1 0 276.424 2.006 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](c2nc(CCOc3ccccc3)no2)C1 ZINC000092181160 180338506 /nfs/dbraw/zinc/33/85/06/180338506.db2.gz PKZLDWJZARZLMK-NWDGAFQWSA-N 1 0 271.320 2.062 10 0 CEAERO CC[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C[C@@H](C)O ZINC000105826645 186074910 /nfs/dbraw/zinc/07/49/10/186074910.db2.gz ZBRABSTWEOQQHE-SJLPKXTDSA-N 1 0 290.451 2.396 10 0 CEAERO CCc1nc(-c2ccncc2)nc(CC)c1CC[NH2+]C ZINC000092318501 180361680 /nfs/dbraw/zinc/36/16/80/180361680.db2.gz AVKARCBERJIOSA-UHFFFAOYSA-N 1 0 270.380 2.425 10 0 CEAERO C[NH+](C)C[C@@H]1CN(Cc2cccc(Cl)c2)CCO1 ZINC000105926778 186092819 /nfs/dbraw/zinc/09/28/19/186092819.db2.gz GGDADTTYXLZOJC-CQSZACIVSA-N 1 0 268.788 2.102 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C(C)C)CN1Cc1c(C)noc1C ZINC000092342738 180366157 /nfs/dbraw/zinc/36/61/57/180366157.db2.gz UFIQDDCURPIYSM-DZGCQCFKSA-N 1 0 265.401 2.500 10 0 CEAERO O=C1C[C@H]([NH2+]C[C@@H]2CC=CCC2)C(=O)N1C1CCCCC1 ZINC000106257923 186106097 /nfs/dbraw/zinc/10/60/97/186106097.db2.gz PUJURGZFEXZSJM-HIFRSBDPSA-N 1 0 290.407 2.393 10 0 CEAERO C[N@H+](CCC(N)=S)Cc1ccnc2ccccc12 ZINC000092347760 180367073 /nfs/dbraw/zinc/36/70/73/180367073.db2.gz IWOFLBAPTXVKSH-UHFFFAOYSA-N 1 0 259.378 2.343 10 0 CEAERO O=C(/C=C/c1cccs1)NCC[C@@H]1CCC[NH2+]C1 ZINC000106365851 186110098 /nfs/dbraw/zinc/11/00/98/186110098.db2.gz ZBZAKWXKKOUDMB-FYJFLYSWSA-N 1 0 264.394 2.267 10 0 CEAERO Cc1cc(NS(=O)(=O)c2ccc3c(c2)CCN3)cc[nH+]1 ZINC000092364977 180369371 /nfs/dbraw/zinc/36/93/71/180369371.db2.gz ZWAMJDYZFBKOPR-UHFFFAOYSA-N 1 0 289.360 2.159 10 0 CEAERO CCCNc1cccc(CN2CC[NH+](C3CC3)CC2)n1 ZINC000092369989 180369683 /nfs/dbraw/zinc/36/96/83/180369683.db2.gz FWNJKKKTQGLKDD-UHFFFAOYSA-N 1 0 274.412 2.184 10 0 CEAERO CCNc1cccc(CN(C)[C@@H]2CCC[N@H+](C)C2)n1 ZINC000092370220 180369811 /nfs/dbraw/zinc/36/98/11/180369811.db2.gz GMFYSLRZDZWORL-CQSZACIVSA-N 1 0 262.401 2.039 10 0 CEAERO COc1ccc2c(c1)[C@]([NH3+])(c1cncnc1)CCC2 ZINC000092367246 180370014 /nfs/dbraw/zinc/37/00/14/180370014.db2.gz AKUUZLSIRCYQKE-OAHLLOKOSA-N 1 0 255.321 2.024 10 0 CEAERO CCNc1cccc(C[N@@H+]2CCSC[C@@H]2C)n1 ZINC000092370970 180370033 /nfs/dbraw/zinc/37/00/33/180370033.db2.gz QERNMHUHVMWHNW-NSHDSACASA-N 1 0 251.399 2.451 10 0 CEAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000106425166 186117030 /nfs/dbraw/zinc/11/70/30/186117030.db2.gz UMUKDRSIKPKJTA-HNNXBMFYSA-N 1 0 260.381 2.218 10 0 CEAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000106423956 186116116 /nfs/dbraw/zinc/11/61/16/186116116.db2.gz NEUHKBUQDUQJNH-KRWDZBQOSA-N 1 0 282.387 2.476 10 0 CEAERO CCc1nccn1[C@H]1CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000105897775 186085556 /nfs/dbraw/zinc/08/55/56/186085556.db2.gz UTUDPFRADVGTED-AWEZNQCLSA-N 1 0 273.384 2.016 10 0 CEAERO CC(C)[C@H](CO)Nc1cc(C[NH3+])c2ccccc2n1 ZINC000092391555 180375694 /nfs/dbraw/zinc/37/56/94/180375694.db2.gz PAWYZYDDHYIZJS-AWEZNQCLSA-N 1 0 259.353 2.122 10 0 CEAERO CCNc1cc[nH+]c(CN(CC)[C@H](C)COC)c1 ZINC000092418346 180380965 /nfs/dbraw/zinc/38/09/65/180380965.db2.gz JHDCUAPDXKRBOY-GFCCVEGCSA-N 1 0 251.374 2.370 10 0 CEAERO Clc1ccnc(CN2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000092417152 180381179 /nfs/dbraw/zinc/38/11/79/180381179.db2.gz DVLMJOHQSRMOCI-KBPBESRZSA-N 1 0 265.788 2.451 10 0 CEAERO NNc1ccnc(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC000092421067 180382296 /nfs/dbraw/zinc/38/22/96/180382296.db2.gz WKPNEEXWGUTFHE-CHWSQXEVSA-N 1 0 260.385 2.379 10 0 CEAERO Cc1cccc(CSc2nnc(C[NH3+])n2C(C)C)n1 ZINC000092429884 180384182 /nfs/dbraw/zinc/38/41/82/180384182.db2.gz GFLRCMQSFYZRAD-UHFFFAOYSA-N 1 0 277.397 2.313 10 0 CEAERO CCc1[nH+]c(-c2cc(OC)c(OC)c(OC)c2)c(N)n1C ZINC000106832832 186137844 /nfs/dbraw/zinc/13/78/44/186137844.db2.gz LABAJZHIMMWMGX-UHFFFAOYSA-N 1 0 291.351 2.258 10 0 CEAERO CC[NH2+][C@@H]1c2cc(OC)ccc2CC[C@H]1N(C)CCOC ZINC000092385710 180374167 /nfs/dbraw/zinc/37/41/67/180374167.db2.gz XQOFVVFOVTTYMD-IAGOWNOFSA-N 1 0 292.423 2.239 10 0 CEAERO Cc1cccc(CN2CC[NH2+]C[C@H]2Cc2ccccc2)n1 ZINC000092433100 180384413 /nfs/dbraw/zinc/38/44/13/180384413.db2.gz QAQQSADVMXEEHU-GOSISDBHSA-N 1 0 281.403 2.407 10 0 CEAERO CCCN1C(=O)C[C@@H]([NH2+][C@H]2CCCc3ccccc32)C1=O ZINC000106924448 186151229 /nfs/dbraw/zinc/15/12/29/186151229.db2.gz ZRGXPNWCQFQMKO-LSDHHAIUSA-N 1 0 286.375 2.191 10 0 CEAERO Cc1ccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2CC(O)C3)cc1C ZINC000107925398 186198338 /nfs/dbraw/zinc/19/83/38/186198338.db2.gz KWHFTLJTSLMLGJ-XYPWUTKMSA-N 1 0 288.391 2.230 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)OCC(F)(F)F ZINC000108916565 186235187 /nfs/dbraw/zinc/23/51/87/186235187.db2.gz XXEJOYZDAKLFNW-SECBINFHSA-N 1 0 270.295 2.251 10 0 CEAERO CC[NH2+][C@@H](Cc1nc(-c2cccnc2)no1)C(C)C ZINC000109495350 186256934 /nfs/dbraw/zinc/25/69/34/186256934.db2.gz XMMLBSVYKPNJCS-LBPRGKRZSA-N 1 0 260.341 2.308 10 0 CEAERO COc1ccc(-c2noc(C[C@@H]([NH3+])C(C)C)n2)cc1OC ZINC000109505644 186257170 /nfs/dbraw/zinc/25/71/70/186257170.db2.gz XDDASMJNHSEJNY-LLVKDONJSA-N 1 0 291.351 2.280 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1c1nc(Cc2ccc(F)cc2)no1 ZINC000109501331 186257543 /nfs/dbraw/zinc/25/75/43/186257543.db2.gz KEGVGDOQSTVDEX-NEPJUHHUSA-N 1 0 261.300 2.394 10 0 CEAERO C[NH2+][C@H]1CCC[C@H]1c1nc(Cc2csc(C)n2)no1 ZINC000109511435 186257957 /nfs/dbraw/zinc/25/79/57/186257957.db2.gz YGWMJHLCBJQVOI-MNOVXSKESA-N 1 0 278.381 2.281 10 0 CEAERO CC(C)[C@@H]([NH3+])Cc1nc(COc2ccccc2)no1 ZINC000109509302 186258489 /nfs/dbraw/zinc/25/84/89/186258489.db2.gz NKPBJIUXGBKYJJ-LBPRGKRZSA-N 1 0 261.325 2.174 10 0 CEAERO CCC[NH2+][C@@H](Cc1nc(-c2cnccn2)no1)C(C)(C)C ZINC000109507149 186258623 /nfs/dbraw/zinc/25/86/23/186258623.db2.gz APYBSZMUQJZUQP-LBPRGKRZSA-N 1 0 289.383 2.483 10 0 CEAERO CCC[NH2+][C@@H]1CCCC[C@H]1c1nc(COC)no1 ZINC000109518929 186258938 /nfs/dbraw/zinc/25/89/38/186258938.db2.gz ZJEPUMGXONIGKQ-GHMZBOCLSA-N 1 0 253.346 2.242 10 0 CEAERO C[NH2+][C@H](Cc1nc(CCc2ccccc2)no1)C1CC1 ZINC000109515732 186258993 /nfs/dbraw/zinc/25/89/93/186258993.db2.gz NQGHKEQOTLCKOA-CQSZACIVSA-N 1 0 271.364 2.395 10 0 CEAERO NNc1[nH+]c(N2CCCCCC2)nc2c1CCCCC2 ZINC000109522220 186258999 /nfs/dbraw/zinc/25/89/99/186258999.db2.gz KRPOURJYAXGUBV-UHFFFAOYSA-N 1 0 275.400 2.412 10 0 CEAERO Cc1cc(NCc2ccc(C[NH3+])cc2F)nc(C)n1 ZINC000109540737 186260593 /nfs/dbraw/zinc/26/05/93/186260593.db2.gz XLOQCRAJZXIMGH-UHFFFAOYSA-N 1 0 260.316 2.303 10 0 CEAERO CCCCOC[C@@H](O)C[N@@H+]1CCC(F)(F)C[C@@H]1C ZINC000625980898 350619346 /nfs/dbraw/zinc/61/93/46/350619346.db2.gz WSYKOAUQLIRKTQ-RYUDHWBXSA-N 1 0 265.344 2.284 10 0 CEAERO [NH3+]Cc1ccc(CNC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)c(F)c1 ZINC000109540420 186261035 /nfs/dbraw/zinc/26/10/35/186261035.db2.gz UTJQAJCIUAFGNW-SUHUHFCYSA-N 1 0 276.355 2.337 10 0 CEAERO CC[NH2+][C@H]1C(=O)Nc2cc(OCC3CCOCC3)ccc21 ZINC000109576771 186263613 /nfs/dbraw/zinc/26/36/13/186263613.db2.gz IKGQYYHWEJSAOP-OAHLLOKOSA-N 1 0 290.363 2.095 10 0 CEAERO CN(c1cc(CO)nc2ccccc21)[C@@H]1CCC[N@H+](C)C1 ZINC000109594728 186265201 /nfs/dbraw/zinc/26/52/01/186265201.db2.gz WQCCMSRLPNUQBC-CQSZACIVSA-N 1 0 285.391 2.258 10 0 CEAERO CCOCCOc1cc(C[NH2+]C)nc2ccccc21 ZINC000109590101 186265341 /nfs/dbraw/zinc/26/53/41/186265341.db2.gz QVBLRJBDZVFNLQ-UHFFFAOYSA-N 1 0 260.337 2.370 10 0 CEAERO CCC[C@H](C[NH3+])N1CCN(C(=O)CCC2CCCC2)CC1 ZINC000109449070 186252959 /nfs/dbraw/zinc/25/29/59/186252959.db2.gz JHRQITPFUMMFSV-MRXNPFEDSA-N 1 0 295.471 2.228 10 0 CEAERO Cc1ccccc1-c1nc([C@@H](C)N2CC[NH2+]CC2)no1 ZINC000109473971 186254921 /nfs/dbraw/zinc/25/49/21/186254921.db2.gz DKCPDMAAEWWQKX-GFCCVEGCSA-N 1 0 272.352 2.011 10 0 CEAERO C[C@@H](c1nc(-c2ccco2)cs1)N1CC[NH2+]CC1 ZINC000109472040 186255259 /nfs/dbraw/zinc/25/52/59/186255259.db2.gz FXAXFXBMXYJQSW-JTQLQIEISA-N 1 0 263.366 2.369 10 0 CEAERO Cc1nnc(SCC[NH2+]CCC(C)(C)C)n1C ZINC000110250295 186288503 /nfs/dbraw/zinc/28/85/03/186288503.db2.gz UDCYKBRKZWHKKW-UHFFFAOYSA-N 1 0 256.419 2.241 10 0 CEAERO NC(=S)c1ccc(N2CC[C@@H]([NH+]3CCCC3)C2)c(F)c1 ZINC000110278488 186289580 /nfs/dbraw/zinc/28/95/80/186289580.db2.gz VYCISQABMQLJGH-GFCCVEGCSA-N 1 0 293.411 2.134 10 0 CEAERO Nc1cccc(NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000110380179 186294695 /nfs/dbraw/zinc/29/46/95/186294695.db2.gz RBJKDNBEBSTSDV-OAHLLOKOSA-N 1 0 288.395 2.361 10 0 CEAERO CCC[NH2+][C@@H](CC)[C@@H](C)c1nc(-c2ncccn2)no1 ZINC000110478745 186299292 /nfs/dbraw/zinc/29/92/92/186299292.db2.gz GQODRIZEBDCCJF-MNOVXSKESA-N 1 0 275.356 2.408 10 0 CEAERO CC[NH2+][C@@H](C)CCc1nc(-c2cccc(C)n2)no1 ZINC000110476126 186299661 /nfs/dbraw/zinc/29/96/61/186299661.db2.gz RHOGBNXUNLDTRT-JTQLQIEISA-N 1 0 260.341 2.371 10 0 CEAERO C[NH2+][C@H](CO[C@H]1CCOC1)c1cc(C)ccc1OC ZINC000110526802 186301138 /nfs/dbraw/zinc/30/11/38/186301138.db2.gz CPDXDYWESLFXQW-GXTWGEPZSA-N 1 0 265.353 2.070 10 0 CEAERO CC[NH2+]C[C@H](O[C@@H]1CCOC1)c1cccc(OC)c1 ZINC000110530183 186302143 /nfs/dbraw/zinc/30/21/43/186302143.db2.gz PKWZKCQNSHTZQA-CABCVRRESA-N 1 0 265.353 2.151 10 0 CEAERO CC[NH2+]C[C@@H](O[C@@H]1CCOC1)c1cccc(F)c1 ZINC000110529500 186302187 /nfs/dbraw/zinc/30/21/87/186302187.db2.gz HZRHVRDVBZDJEJ-ZIAGYGMSSA-N 1 0 253.317 2.282 10 0 CEAERO C[C@](O)(c1cnc2ccccc2c1)[C@H]1CCC[NH2+]C1 ZINC000110551862 186303172 /nfs/dbraw/zinc/30/31/72/186303172.db2.gz DRNUKWRNAAKSRL-XJKSGUPXSA-N 1 0 256.349 2.442 10 0 CEAERO COc1cc(N[C@@H](C)C[NH+]2CCCC2)c(N)cc1F ZINC000110626870 186306238 /nfs/dbraw/zinc/30/62/38/186306238.db2.gz ORYNKZIECAPSNT-JTQLQIEISA-N 1 0 267.348 2.313 10 0 CEAERO CC[C@@]1(C(=O)N(C)CC2CCCC2)CCC[NH2+]C1 ZINC000110843653 186328098 /nfs/dbraw/zinc/32/80/98/186328098.db2.gz DXZJBQDPIPHAMI-OAHLLOKOSA-N 1 0 252.402 2.415 10 0 CEAERO COC(=O)[C@@](N)(C[N@H+](C)CC1CCCC1)c1ccccc1 ZINC000110840547 186328687 /nfs/dbraw/zinc/32/86/87/186328687.db2.gz DMYAZLDSNOWLFV-QGZVFWFLSA-N 1 0 290.407 2.136 10 0 CEAERO Cc1c(Cl)cccc1NC(=O)CN(C)[C@@H]1CCC[NH2+]C1 ZINC000110931720 186333147 /nfs/dbraw/zinc/33/31/47/186333147.db2.gz ZOICHTDJDTXHGT-GFCCVEGCSA-N 1 0 295.814 2.271 10 0 CEAERO CCN(C(=O)c1ccc2ncccc2c1)[C@H]1CCC[NH2+]C1 ZINC000110939953 186334481 /nfs/dbraw/zinc/33/44/81/186334481.db2.gz OIZFXUUPYUNMAR-HNNXBMFYSA-N 1 0 283.375 2.449 10 0 CEAERO CCN(Cc1cnn(-c2ccccc2)c1)[C@@H]1CCC[NH2+]C1 ZINC000110936320 186334637 /nfs/dbraw/zinc/33/46/37/186334637.db2.gz XVFJDGAWMJFIGF-QGZVFWFLSA-N 1 0 284.407 2.446 10 0 CEAERO CCCN(Cc1ncc(Cl)n1C)[C@@H]1CCC[NH2+]C1 ZINC000110946130 186335365 /nfs/dbraw/zinc/33/53/65/186335365.db2.gz AWVPVJZLNYBGQN-LLVKDONJSA-N 1 0 270.808 2.038 10 0 CEAERO CCCN(Cc1nccn1C(F)F)[C@H]1CCC[NH2+]C1 ZINC000110945911 186335392 /nfs/dbraw/zinc/33/53/92/186335392.db2.gz KVMQGFLHUGVGLX-NSHDSACASA-N 1 0 272.343 2.242 10 0 CEAERO CCCN(c1ccc(S(C)(=O)=O)cc1)[C@H]1CCC[NH2+]C1 ZINC000110947825 186335509 /nfs/dbraw/zinc/33/55/09/186335509.db2.gz ZIKFJPYYZJDVIE-AWEZNQCLSA-N 1 0 296.436 2.059 10 0 CEAERO CCCN(c1cc(C)cc2ncnn21)[C@@H]1CCC[NH2+]C1 ZINC000110948248 186335806 /nfs/dbraw/zinc/33/58/06/186335806.db2.gz GUVTUGRDTIGDPM-CYBMUJFWSA-N 1 0 273.384 2.006 10 0 CEAERO Cc1ccc([C@H](C[NH3+])N2CCOCC2(C)C)cc1F ZINC000110977366 186339253 /nfs/dbraw/zinc/33/92/53/186339253.db2.gz XGEAAKMORMGICO-AWEZNQCLSA-N 1 0 266.360 2.245 10 0 CEAERO CC[C@H]1CN(CCNc2ccc(C)cc2)CC[N@@H+]1C ZINC000110757618 186319914 /nfs/dbraw/zinc/31/99/14/186319914.db2.gz YVSIRUVBYFSGLT-INIZCTEOSA-N 1 0 261.413 2.433 10 0 CEAERO CC[N@@H+]1CCN(c2nc(C(C)(C)C)c(CO)s2)C[C@@H]1C ZINC000110760489 186323512 /nfs/dbraw/zinc/32/35/12/186323512.db2.gz LWUFCJRUPSYSBD-NSHDSACASA-N 1 0 297.468 2.463 10 0 CEAERO CCN(C[C@@H](C)C[NH3+])c1ncnc2sc(C)cc21 ZINC000110779059 186323989 /nfs/dbraw/zinc/32/39/89/186323989.db2.gz ZZYSTLIGAHJTIL-VIFPVBQESA-N 1 0 264.398 2.421 10 0 CEAERO CCOC(C[N@H+](CCOC)[C@@H](C)C1CC1)OCC ZINC000110783522 186324221 /nfs/dbraw/zinc/32/42/21/186324221.db2.gz KMALFYORZUEDLQ-LBPRGKRZSA-N 1 0 259.390 2.132 10 0 CEAERO Cc1cc2c(ncnc2NCC2CC[NH2+]CC2)s1 ZINC000110779261 186324791 /nfs/dbraw/zinc/32/47/91/186324791.db2.gz UYWMGHZVMGKVDH-UHFFFAOYSA-N 1 0 262.382 2.411 10 0 CEAERO CCOc1cc(N[C@H]2CC[N@@H+](C3CC3)C2)ccc1N ZINC000111054297 186348457 /nfs/dbraw/zinc/34/84/57/186348457.db2.gz LKMDRBFFBILCRW-LBPRGKRZSA-N 1 0 261.369 2.316 10 0 CEAERO CCCOc1cc(OCCC[NH+](C)C)ccc1N ZINC000111057858 186348986 /nfs/dbraw/zinc/34/89/86/186348986.db2.gz NCIHXMVATCEATN-UHFFFAOYSA-N 1 0 252.358 2.388 10 0 CEAERO COc1cc(N2CC[C@@H]([NH+]3CCCCC3)C2)ccc1N ZINC000111056239 186349268 /nfs/dbraw/zinc/34/92/68/186349268.db2.gz AUFVHAODOSNGML-CQSZACIVSA-N 1 0 275.396 2.342 10 0 CEAERO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2c(N)cccc2Cl)C1 ZINC000111011428 186343073 /nfs/dbraw/zinc/34/30/73/186343073.db2.gz YQLYYWHREUBALY-NSHDSACASA-N 1 0 295.814 2.382 10 0 CEAERO CC[NH+](CC)C[C@H](C)NC(=O)c1c(N)cccc1Cl ZINC000111012215 186343301 /nfs/dbraw/zinc/34/33/01/186343301.db2.gz KDFPIADQMLHACB-JTQLQIEISA-N 1 0 283.803 2.382 10 0 CEAERO CC(C)[C@@H]([NH2+][C@H]1CCC(=O)NC1)c1cccs1 ZINC000111018746 186344714 /nfs/dbraw/zinc/34/47/14/186344714.db2.gz CAPSGCJBRLSWKM-GXFFZTMASA-N 1 0 252.383 2.313 10 0 CEAERO C[C@@H]1CN([C@@H](C[NH3+])c2cccc(F)c2F)CC(C)(C)O1 ZINC000111039839 186346637 /nfs/dbraw/zinc/34/66/37/186346637.db2.gz BEXXENUSUXDKQH-MFKMUULPSA-N 1 0 284.350 2.464 10 0 CEAERO CC[N@@H+]1CC[C@H](CNc2ccc(F)cc2C(N)=S)C1 ZINC000111030443 186346706 /nfs/dbraw/zinc/34/67/06/186346706.db2.gz LTHVRHRZOZWEGE-SNVBAGLBSA-N 1 0 281.400 2.214 10 0 CEAERO CCCCCNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000130786569 365992320 /nfs/dbraw/zinc/99/23/20/365992320.db2.gz SLHZSNHZJWUNLM-QWHCGFSZSA-N 1 0 255.406 2.205 10 0 CEAERO CN(CCNc1ccccc1Cl)CC[NH+](C)C ZINC000111150608 186360639 /nfs/dbraw/zinc/36/06/39/186360639.db2.gz UPKISNJHUBNOFM-UHFFFAOYSA-N 1 0 255.793 2.245 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccncc1)N(C)C[C@@H]1CCCOC1 ZINC000111154583 186360666 /nfs/dbraw/zinc/36/06/66/186360666.db2.gz DMTYUFRHPUSYLM-CWRNSKLLSA-N 1 0 277.412 2.218 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1cccs1)N(C)C[C@@H]1CCCOC1 ZINC000111154642 186360675 /nfs/dbraw/zinc/36/06/75/186360675.db2.gz ZGYDEEDUDOMXNM-OBJOEFQTSA-N 1 0 268.426 2.495 10 0 CEAERO Cc1ccsc1[C@H](CN)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111154665 186360904 /nfs/dbraw/zinc/36/09/04/186360904.db2.gz NGIIEKXXMQNOAP-STQMWFEESA-N 1 0 268.426 2.415 10 0 CEAERO CC(C)(C)S(=O)(=O)N(CCC[NH3+])c1ccc(F)cc1 ZINC000111071237 186350530 /nfs/dbraw/zinc/35/05/30/186350530.db2.gz LUACLNNXQIHBGJ-UHFFFAOYSA-N 1 0 288.388 2.109 10 0 CEAERO CCN(C1(C[NH3+])CCCCCC1)S(=O)(=O)C(C)(C)C ZINC000111071409 186350942 /nfs/dbraw/zinc/35/09/42/186350942.db2.gz HEDQFTFAMCVUNE-UHFFFAOYSA-N 1 0 290.473 2.488 10 0 CEAERO COC(C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)OC ZINC000111112725 186353269 /nfs/dbraw/zinc/35/32/69/186353269.db2.gz ZCFPBKMHQPWMQV-IUCAKERBSA-N 1 0 255.280 2.316 10 0 CEAERO c1csc(CC[NH2+]CCSc2ccncn2)c1 ZINC000111115778 186353466 /nfs/dbraw/zinc/35/34/66/186353466.db2.gz WSVVPOHRHAZMDN-UHFFFAOYSA-N 1 0 265.407 2.463 10 0 CEAERO CCOCCN(CC)[C@@](C)(C[NH3+])Cc1ccccc1OC ZINC000111117837 186354664 /nfs/dbraw/zinc/35/46/64/186354664.db2.gz CTXFNGDINDBFHT-QGZVFWFLSA-N 1 0 294.439 2.314 10 0 CEAERO CCOCCN(CC)c1nc(C)c([C@H](C)[NH3+])s1 ZINC000111124483 186355194 /nfs/dbraw/zinc/35/51/94/186355194.db2.gz GBXOESXXDUUYJQ-VIFPVBQESA-N 1 0 257.403 2.334 10 0 CEAERO CCOCC[N@H+](CC)[C@H]1CCc2ccccc2[C@@H]1N ZINC000111118715 186355199 /nfs/dbraw/zinc/35/51/99/186355199.db2.gz XLVPADXDVYSTPW-HOTGVXAUSA-N 1 0 262.397 2.360 10 0 CEAERO CN(CCC[NH+](C)C)c1ccc2cc(N)ccc2n1 ZINC000111132318 186356482 /nfs/dbraw/zinc/35/64/82/186356482.db2.gz HXYSJMXLOAYDQX-UHFFFAOYSA-N 1 0 258.369 2.205 10 0 CEAERO CCC[C@H]1CCC(=O)[C@H](C[N@H+](C)CCN(C)C)C1 ZINC000111146383 186358890 /nfs/dbraw/zinc/35/88/90/186358890.db2.gz SSXNXIUQULEBSG-KBPBESRZSA-N 1 0 254.418 2.265 10 0 CEAERO CCOc1ccccc1[C@H](O)CN(C)CCC[NH+](C)C ZINC000111143774 186359250 /nfs/dbraw/zinc/35/92/50/186359250.db2.gz JHMHPQFQSKBSSC-OAHLLOKOSA-N 1 0 280.412 2.002 10 0 CEAERO C[C@@H]1CCC[C@@H](CNC(=O)[C@@H]2CCOc3ccccc32)[NH2+]1 ZINC000111186399 186367848 /nfs/dbraw/zinc/36/78/48/186367848.db2.gz QCPWTMLNWGJIHJ-VNHYZAJKSA-N 1 0 288.391 2.200 10 0 CEAERO C(NC1=[NH+]C2(CCCC2)CS1)C1CCOCC1 ZINC000111167888 186363872 /nfs/dbraw/zinc/36/38/72/186363872.db2.gz RPOGVRLSTPTHOX-UHFFFAOYSA-N 1 0 254.399 2.418 10 0 CEAERO CN[C@@H](C[N@H+](C)CC1CCOCC1)c1ccccc1OC ZINC000111161512 186363894 /nfs/dbraw/zinc/36/38/94/186363894.db2.gz CKDRRLRQGOLIEU-INIZCTEOSA-N 1 0 292.423 2.314 10 0 CEAERO Nc1[nH+]c2ccc(F)c(F)c2n1CC1CCOCC1 ZINC000111167635 186364320 /nfs/dbraw/zinc/36/43/20/186364320.db2.gz SGGQGDXZJUUVQH-UHFFFAOYSA-N 1 0 267.279 2.323 10 0 CEAERO CN(C[C@H]1CCCOC1)c1ncc(C[NH3+])cc1Cl ZINC000111173930 186364657 /nfs/dbraw/zinc/36/46/57/186364657.db2.gz OVYSRSVVRAPJRF-SNVBAGLBSA-N 1 0 269.776 2.057 10 0 CEAERO C[N@@H+](Cc1nc(N)ccc1Cl)C[C@@H]1CCCOC1 ZINC000111170685 186365002 /nfs/dbraw/zinc/36/50/02/186365002.db2.gz WAIYCOOGTVXGRM-JTQLQIEISA-N 1 0 269.776 2.176 10 0 CEAERO CC(C)CN(CCC[NH3+])C(=O)[C@@H]1CCOc2ccccc21 ZINC000111184212 186366680 /nfs/dbraw/zinc/36/66/80/186366680.db2.gz RJBZQJNVQQTIIG-OAHLLOKOSA-N 1 0 290.407 2.386 10 0 CEAERO CCN(C(=O)[C@@H]1CCOc2ccccc21)C1CC[NH2+]CC1 ZINC000111188935 186367023 /nfs/dbraw/zinc/36/70/23/186367023.db2.gz QWMKCVWCPHVPMC-OAHLLOKOSA-N 1 0 288.391 2.153 10 0 CEAERO c1cc(-c2nc(C[C@H]3CCC[NH2+]C3)no2)cc2c1COC2 ZINC000111306906 186394603 /nfs/dbraw/zinc/39/46/03/186394603.db2.gz VBNFCOZAPDUBMB-LLVKDONJSA-N 1 0 285.347 2.309 10 0 CEAERO C[NH2+]C[C@@]1(CN2CCc3sccc3C2)CCCOC1 ZINC000111323975 186396689 /nfs/dbraw/zinc/39/66/89/186396689.db2.gz JQJZWEFNECQJJQ-OAHLLOKOSA-N 1 0 280.437 2.122 10 0 CEAERO Cc1cccc(CN(C)[C@H](C[NH3+])[C@@H]2CCCOC2)c1 ZINC000111320788 186397054 /nfs/dbraw/zinc/39/70/54/186397054.db2.gz ZJXABNOBGHFFDR-HZPDHXFCSA-N 1 0 262.397 2.181 10 0 CEAERO C[NH2+]C[C@]1(CN(C)c2ccccc2OC)CCCOC1 ZINC000111327065 186398902 /nfs/dbraw/zinc/39/89/02/186398902.db2.gz YKCMLPQGTXGNGW-INIZCTEOSA-N 1 0 278.396 2.148 10 0 CEAERO CC(C)[NH2+]Cc1cnc2c(cnn2Cc2ccncc2)c1 ZINC000111339829 186402018 /nfs/dbraw/zinc/40/20/18/186402018.db2.gz AEKLZPLWNKNTTP-UHFFFAOYSA-N 1 0 281.363 2.373 10 0 CEAERO CC[C@@H]1CCCCN1C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111243560 186375122 /nfs/dbraw/zinc/37/51/22/186375122.db2.gz JLZVPYYRDMYPAW-ZYHUDNBSSA-N 1 0 278.318 2.320 10 0 CEAERO C[C@@](O)(C[NH+]1CCC(n2ccnc2)CC1)c1ccccc1 ZINC000111244047 186376451 /nfs/dbraw/zinc/37/64/51/186376451.db2.gz KDNFSGTTXRJWGA-QGZVFWFLSA-N 1 0 285.391 2.428 10 0 CEAERO Cc1ccccc1Cc1noc([C@@H]2C[NH2+]C[C@@H]2C)n1 ZINC000111256556 186379452 /nfs/dbraw/zinc/37/94/52/186379452.db2.gz RRVLHZPIJKXGJR-WCQYABFASA-N 1 0 257.337 2.292 10 0 CEAERO CCOc1cccc(-c2noc([C@@H]3C[NH2+]C[C@@H]3C)n2)c1 ZINC000111256400 186379559 /nfs/dbraw/zinc/37/95/59/186379559.db2.gz DWQCVTFOPGEXGI-GXFFZTMASA-N 1 0 273.336 2.458 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1c1nnc2ccc(C(F)(F)F)cn21 ZINC000111256146 186379757 /nfs/dbraw/zinc/37/97/57/186379757.db2.gz HLWLHASUWKDXRG-VXNVDRBHSA-N 1 0 270.258 2.071 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000111262879 186380910 /nfs/dbraw/zinc/38/09/10/186380910.db2.gz XUUMKJRYXZXOTB-KWQFWETISA-N 1 0 272.270 2.499 10 0 CEAERO Cc1c(Cl)cccc1NC(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000111262901 186380958 /nfs/dbraw/zinc/38/09/58/186380958.db2.gz DZOSLEJRWCQNQQ-WCBMZHEXSA-N 1 0 252.745 2.442 10 0 CEAERO CC(C)Oc1ccc(NC(=O)[C@H]2C[NH2+]C[C@H]2C)cc1 ZINC000111263797 186381315 /nfs/dbraw/zinc/38/13/15/186381315.db2.gz ZGQGLFISZBXWHG-RISCZKNCSA-N 1 0 262.353 2.268 10 0 CEAERO COc1c(C)ccc(NC(=O)[C@@H]2C[NH2+]C[C@@H]2C)c1C ZINC000111264469 186381709 /nfs/dbraw/zinc/38/17/09/186381709.db2.gz DQTZDAYRTZAREP-CMPLNLGQSA-N 1 0 262.353 2.106 10 0 CEAERO CC(C)Oc1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2C)cc1 ZINC000111263799 186382171 /nfs/dbraw/zinc/38/21/71/186382171.db2.gz ZGQGLFISZBXWHG-FZMZJTMJSA-N 1 0 262.353 2.268 10 0 CEAERO CCOc1cc(F)ccc1NC(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000111266872 186382979 /nfs/dbraw/zinc/38/29/79/186382979.db2.gz YEPKMLPPWVEROV-ONGXEEELSA-N 1 0 266.316 2.018 10 0 CEAERO CCN(Cc1ccc(OC)c(F)c1)C(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000111268156 186383080 /nfs/dbraw/zinc/38/30/80/186383080.db2.gz ZUQMKZAXCQPZHQ-YPMHNXCESA-N 1 0 294.370 2.038 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)N(Cc1ccc(F)cc1F)C1CC1 ZINC000111268698 186383743 /nfs/dbraw/zinc/38/37/43/186383743.db2.gz BZERBZRBJIJUNJ-HZMBPMFUSA-N 1 0 294.345 2.311 10 0 CEAERO C[C@H](NC(=O)[C@H]1C[NH2+]C[C@H]1C)c1ccc(Cl)cc1 ZINC000111271452 186383955 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ZINC000111451671 186419523 /nfs/dbraw/zinc/41/95/23/186419523.db2.gz IMDGMNZULZUVCI-LLVKDONJSA-N 1 0 254.399 2.185 10 0 CEAERO CC[C@@H]([NH3+])Cc1c(C)nn(C)c1-n1ccc(C(C)C)n1 ZINC000111513982 186425833 /nfs/dbraw/zinc/42/58/33/186425833.db2.gz PCFILAIHQBYNHV-GFCCVEGCSA-N 1 0 275.400 2.317 10 0 CEAERO CC[C@H]([NH3+])Cc1c(Cl)cccc1-n1cncn1 ZINC000111512332 186426163 /nfs/dbraw/zinc/42/61/63/186426163.db2.gz BCYBFADQLMOJNX-VIFPVBQESA-N 1 0 250.733 2.201 10 0 CEAERO C[C@H]([NH3+])Cc1c(Sc2ncccn2)nc2ccccn21 ZINC000111582874 186430185 /nfs/dbraw/zinc/43/01/85/186430185.db2.gz VPISIBOVLMIELA-JTQLQIEISA-N 1 0 285.376 2.165 10 0 CEAERO CC[NH2+]C[C@@H]1CCCCN1[C@@H](C)C(=O)Nc1ccccc1 ZINC000111701260 186446456 /nfs/dbraw/zinc/44/64/56/186446456.db2.gz VUKGXHGZSZLTOT-HOCLYGCPSA-N 1 0 289.423 2.478 10 0 CEAERO CC[NH2+][C@@H](C)[C@@H]1CCCCN1[C@@H](C)C(=O)NCCC(C)C ZINC000111711973 186449218 /nfs/dbraw/zinc/44/92/18/186449218.db2.gz YGYLGDAYYAUXTI-JYJNAYRXSA-N 1 0 297.487 2.390 10 0 CEAERO CCC[NH2+][C@@H](C)[C@@H]1CCCCN1CC(=O)N1CCCCC1 ZINC000111712756 186450683 /nfs/dbraw/zinc/45/06/83/186450683.db2.gz BWMWGTRDOKTOMK-HOTGVXAUSA-N 1 0 295.471 2.242 10 0 CEAERO CC(C)C[C@@H](C[NH3+])Nc1ccc(C(N)=O)c(Cl)c1 ZINC000111830470 186461103 /nfs/dbraw/zinc/46/11/03/186461103.db2.gz GNPJROIYZXQWDC-JTQLQIEISA-N 1 0 269.776 2.224 10 0 CEAERO Cc1ccc(C(=O)NC2(C[NH3+])CCC(C)CC2)c(C)n1 ZINC000111370307 186407560 /nfs/dbraw/zinc/40/75/60/186407560.db2.gz KHKDGJARTUCQSC-UHFFFAOYSA-N 1 0 275.396 2.336 10 0 CEAERO CCC[NH2+]CC1CCN(c2ccc3nccnc3n2)CC1 ZINC000094727037 535156972 /nfs/dbraw/zinc/15/69/72/535156972.db2.gz GDMUKIAHOLGIMT-UHFFFAOYSA-N 1 0 285.395 2.241 10 0 CEAERO CC(C)c1cc(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ncn1 ZINC000131061093 366016189 /nfs/dbraw/zinc/01/61/89/366016189.db2.gz UNUCWCRVQLLBJZ-XQQFMLRXSA-N 1 0 260.385 2.164 10 0 CEAERO CN1C(=O)C[C@H]([NH2+][C@H]2CCCC[C@@H]2C2CCCCC2)C1=O ZINC000116073662 186693519 /nfs/dbraw/zinc/69/35/19/186693519.db2.gz FPBCHTOOEOIQGF-ILXRZTDVSA-N 1 0 292.423 2.472 10 0 CEAERO CCN(Cc1ccoc1)C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000629600420 351428719 /nfs/dbraw/zinc/42/87/19/351428719.db2.gz XJKBNQBXRIHBLK-DGCLKSJQSA-N 1 0 250.342 2.016 10 0 CEAERO CO[C@@H]1C[NH2+][C@@](C)(c2nc(-c3ccc(C)cc3)no2)C1 ZINC000629676314 351463079 /nfs/dbraw/zinc/46/30/79/351463079.db2.gz GMVNGXWWUVNEJA-SWLSCSKDSA-N 1 0 273.336 2.269 10 0 CEAERO C[C@H]([NH3+])[C@@H]1CCCN(c2ncnc3sccc32)C1 ZINC000070175151 363048372 /nfs/dbraw/zinc/04/83/72/363048372.db2.gz AAGMWYLBNBNIKK-VHSXEESVSA-N 1 0 262.382 2.255 10 0 CEAERO C[NH2+]CCC1CCN(C(=O)c2ccc(N(C)C)cc2)CC1 ZINC000070189355 363051871 /nfs/dbraw/zinc/05/18/71/363051871.db2.gz BWKFLELAZLRXIM-UHFFFAOYSA-N 1 0 289.423 2.214 10 0 CEAERO Cc1nc(CN(C)C(=O)C(C)(C)[C@H]2CCC[NH2+]C2)cs1 ZINC000120077878 186874148 /nfs/dbraw/zinc/87/41/48/186874148.db2.gz LZINDUMENCZIOS-LBPRGKRZSA-N 1 0 295.452 2.436 10 0 CEAERO C[C@@H]([NH2+]CC(=O)N1CCNC1=O)c1ccc2ccccc2c1 ZINC000120452191 186901008 /nfs/dbraw/zinc/90/10/08/186901008.db2.gz SOGLARSQTLIUDR-GFCCVEGCSA-N 1 0 297.358 2.042 10 0 CEAERO C[C@@H]1CN(C(=O)[C@@H]2CCCC3(CC3)C2)C[C@H]1C[NH3+] ZINC000630091884 351615205 /nfs/dbraw/zinc/61/52/05/351615205.db2.gz IMYSHQKVOUGEAQ-JHJVBQTASA-N 1 0 250.386 2.010 10 0 CEAERO CCc1cc(N2CC[NH2+]CC2)nc(-c2ccc(F)cc2)n1 ZINC000070451668 363083470 /nfs/dbraw/zinc/08/34/70/363083470.db2.gz QXXFHQMLMKMDBC-UHFFFAOYSA-N 1 0 286.354 2.255 10 0 CEAERO Cc1nc(-c2ccccc2)cc(N2CCC[C@@H]([NH3+])C2)n1 ZINC000070458535 363086082 /nfs/dbraw/zinc/08/60/82/363086082.db2.gz FJVPXMCKLWXXHK-CQSZACIVSA-N 1 0 268.364 2.380 10 0 CEAERO COc1cccc(-c2cc(N3CCC([NH3+])CC3)n[nH]2)c1 ZINC000070460092 363087556 /nfs/dbraw/zinc/08/75/56/363087556.db2.gz XXSJUPHSZKAUKS-UHFFFAOYSA-N 1 0 272.352 2.013 10 0 CEAERO Cc1nc(-c2ccncc2)nc(N[C@H]2CCC[NH2+]C2)c1C ZINC000070456504 363084846 /nfs/dbraw/zinc/08/48/46/363084846.db2.gz NXENZUWZKJXLOH-AWEZNQCLSA-N 1 0 283.379 2.319 10 0 CEAERO CO[C@H]1CN(Cc2csc(C(C)(C)C)n2)[C@](C)(C[NH3+])C1 ZINC000630364594 351712914 /nfs/dbraw/zinc/71/29/14/351712914.db2.gz POETUZUMQAEPJS-DOMZBBRYSA-N 1 0 297.468 2.379 10 0 CEAERO Cc1sc2ncnc(NCCOCCC[NH3+])c2c1C ZINC000630533654 351775297 /nfs/dbraw/zinc/77/52/97/351775297.db2.gz FOCAJXPHJLAOLZ-UHFFFAOYSA-N 1 0 280.397 2.085 10 0 CEAERO Cc1cc(N[C@@H]2CC[NH2+][C@H]2C)ncc1Br ZINC000630542721 351778913 /nfs/dbraw/zinc/77/89/13/351778913.db2.gz DGWUBXWPFUMKQM-WCBMZHEXSA-N 1 0 270.174 2.315 10 0 CEAERO [NH3+][C@H]1CCCCCN(c2ncnc3sccc32)C1 ZINC000630548283 351779876 /nfs/dbraw/zinc/77/98/76/351779876.db2.gz BYPBXAKMOYHYPG-JTQLQIEISA-N 1 0 262.382 2.399 10 0 CEAERO [NH3+][C@H]1CCCCCN(c2nc(C(F)(F)F)ns2)C1 ZINC000630548883 351780823 /nfs/dbraw/zinc/78/08/23/351780823.db2.gz JXANTDWUAVGMPG-ZETCQYMHSA-N 1 0 280.319 2.265 10 0 CEAERO C[C@@H]1CN(c2ccnc(C(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000630553910 351783298 /nfs/dbraw/zinc/78/32/98/351783298.db2.gz MOCUQDRZEGZTGK-BDAKNGLRSA-N 1 0 259.275 2.131 10 0 CEAERO C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@@H]1CCO[C@@H]1C ZINC000291703294 198063783 /nfs/dbraw/zinc/06/37/83/198063783.db2.gz KKSJLZUCODMCHG-YRGRVCCFSA-N 1 0 262.353 2.171 10 0 CEAERO CN(C[C@H]1CC[N@H+](C)C1)c1cc(Cl)nc(C2CC2)n1 ZINC000131674571 366076406 /nfs/dbraw/zinc/07/64/06/366076406.db2.gz HYWRXKPFZHIHDV-JTQLQIEISA-N 1 0 280.803 2.395 10 0 CEAERO Cc1nn(C)cc1C[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000122730552 187048358 /nfs/dbraw/zinc/04/83/58/187048358.db2.gz ISCLCXSCPCKBCT-OAHLLOKOSA-N 1 0 287.411 2.416 10 0 CEAERO Cc1cnn(CC[NH2+][C@H](C)c2ccc3c(c2)OCCO3)c1 ZINC000124112132 187122652 /nfs/dbraw/zinc/12/26/52/187122652.db2.gz MFVCTKUPRIDXRN-CYBMUJFWSA-N 1 0 287.363 2.314 10 0 CEAERO CC[C@@](C)(O)C[NH+]1CCN(CCc2ccccc2)CC1 ZINC000123256132 187081094 /nfs/dbraw/zinc/08/10/94/187081094.db2.gz MMGAKMCDXAPOKU-QGZVFWFLSA-N 1 0 276.424 2.008 10 0 CEAERO CCC[C@H](C(=O)Nc1nc2cc(F)ccc2n1C)[NH+](C)C ZINC000123411269 187090705 /nfs/dbraw/zinc/09/07/05/187090705.db2.gz IDXVHEAXKNBQGU-CYBMUJFWSA-N 1 0 292.358 2.381 10 0 CEAERO CC[C@H](O)C[NH+]1CCN(Cc2ccc(F)cc2C)CC1 ZINC000123557661 187098380 /nfs/dbraw/zinc/09/83/80/187098380.db2.gz RCXGDEBHMPXWLB-INIZCTEOSA-N 1 0 280.387 2.023 10 0 CEAERO O=C(CCC[N@H+]1CC[C@H](CCO)C1)c1ccccc1 ZINC000123690242 187104750 /nfs/dbraw/zinc/10/47/50/187104750.db2.gz LDAQZPJFYQCCDA-CQSZACIVSA-N 1 0 261.365 2.354 10 0 CEAERO Cc1nc(CCN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cs1 ZINC000123994579 187117665 /nfs/dbraw/zinc/11/76/65/187117665.db2.gz UKOLUNYKLNGDSL-FZMZJTMJSA-N 1 0 265.426 2.163 10 0 CEAERO OC[C@H]1C[N@H+](C[C@@H]2Cc3ccccc32)CCC1(F)F ZINC000291953071 198115762 /nfs/dbraw/zinc/11/57/62/198115762.db2.gz UPWXNEFKGBIKBN-QWHCGFSZSA-N 1 0 267.319 2.276 10 0 CEAERO c1cnn(Cc2ccc(NC[C@@H]3CCC[NH2+]C3)cc2)c1 ZINC000130969459 187532662 /nfs/dbraw/zinc/53/26/62/187532662.db2.gz JBRZVOMHOKIDJJ-OAHLLOKOSA-N 1 0 270.380 2.343 10 0 CEAERO Cn1nccc1[C@@H]([NH3+])c1cc(Br)cs1 ZINC000070599047 363101024 /nfs/dbraw/zinc/10/10/24/363101024.db2.gz CKUMKUPFRMSMGZ-SECBINFHSA-N 1 0 272.171 2.292 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CC[NH2+][C@H]1C)c1ccc(F)c(F)c1 ZINC000092951852 539831452 /nfs/dbraw/zinc/83/14/52/539831452.db2.gz PMWBPVDYMPVIQX-ATZCPNFKSA-N 1 0 268.307 2.140 10 0 CEAERO COc1ccc([C@@H](C)NC(=O)CC2([NH3+])CCC2)cc1OC ZINC000094294953 539874877 /nfs/dbraw/zinc/87/48/77/539874877.db2.gz POLBWJJMBURFCO-LLVKDONJSA-N 1 0 292.379 2.153 10 0 CEAERO CC[C@@H]1CN2CCCC[C@H]2C[N@@H+]1C[C@H]1CCCO1 ZINC000252692650 539893255 /nfs/dbraw/zinc/89/32/55/539893255.db2.gz AQHGKJFKKKSHGE-QLFBSQMISA-N 1 0 252.402 2.114 10 0 CEAERO C(c1nc2c(s1)CCC2)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000678820783 539919908 /nfs/dbraw/zinc/91/99/08/539919908.db2.gz SGCBNYZMYUYUAV-LBPRGKRZSA-N 1 0 277.437 2.302 10 0 CEAERO C[C@H]1CC(NC(=O)CC[C@H]2CCC[NH2+]2)C[C@H](C)C1 ZINC000261579717 290344203 /nfs/dbraw/zinc/34/42/03/290344203.db2.gz PRHWAGNEVWNIDQ-JHJVBQTASA-N 1 0 252.402 2.460 10 0 CEAERO CCc1ccc(CCNC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000153477180 188084321 /nfs/dbraw/zinc/08/43/21/188084321.db2.gz JBTVOLMYQKSXIZ-INIZCTEOSA-N 1 0 289.423 2.137 10 0 CEAERO CCC[C@@H](C(=O)NCc1c(CC)noc1CC)[NH+](C)C ZINC000153470631 188084673 /nfs/dbraw/zinc/08/46/73/188084673.db2.gz CWQRHTDYYOORIA-ZDUSSCGKSA-N 1 0 281.400 2.146 10 0 CEAERO CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000251759888 539990431 /nfs/dbraw/zinc/99/04/31/539990431.db2.gz LVRYTZAHLASOCO-RQJABVFESA-N 1 0 252.402 2.446 10 0 CEAERO CC[C@@H]1CN(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)CCS1 ZINC000132132680 366121430 /nfs/dbraw/zinc/12/14/30/366121430.db2.gz JMQKOCHOFGOOTO-MJBXVCDLSA-N 1 0 299.484 2.252 10 0 CEAERO CCC[C@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)[NH+](C)C ZINC000132413027 366141201 /nfs/dbraw/zinc/14/12/01/366141201.db2.gz CKWFJBZMQTVJHV-MRXNPFEDSA-N 1 0 295.471 2.240 10 0 CEAERO CCC[C@H](C(=O)Nc1ccn(CC(F)(F)F)n1)[NH+](C)C ZINC000162610300 188581003 /nfs/dbraw/zinc/58/10/03/188581003.db2.gz DLPSBMAEDFPZIH-SECBINFHSA-N 1 0 292.305 2.114 10 0 CEAERO C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)C1 ZINC000132935639 366181529 /nfs/dbraw/zinc/18/15/29/366181529.db2.gz IQDHNJRHHACWSX-RBSFLKMASA-N 1 0 264.413 2.413 10 0 CEAERO COC1(C)CC[NH+](C[C@](C)(O)c2ccccc2)CC1 ZINC000271757342 191308400 /nfs/dbraw/zinc/30/84/00/191308400.db2.gz OJFNPSNINAVJFC-INIZCTEOSA-N 1 0 263.381 2.395 10 0 CEAERO COC[C@@H](C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000171528656 188740914 /nfs/dbraw/zinc/74/09/14/188740914.db2.gz UKCCDJGYBLNGGX-CQSZACIVSA-N 1 0 290.407 2.181 10 0 CEAERO [NH3+]CC[C@H](N(C(=O)CC1CC1)C1CC1)C(F)(F)F ZINC000675056045 540073122 /nfs/dbraw/zinc/07/31/22/540073122.db2.gz AAZXIABSCBUFFZ-JTQLQIEISA-N 1 0 264.291 2.057 10 0 CEAERO C[C@H](NC(=O)CC[NH2+]C1CC1)c1ccc(F)c(F)c1 ZINC000037612751 540154128 /nfs/dbraw/zinc/15/41/28/540154128.db2.gz SOZPGEYXRFQVOP-VIFPVBQESA-N 1 0 268.307 2.284 10 0 CEAERO COC[C@H](C)[NH2+]C[C@@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000174305450 188891363 /nfs/dbraw/zinc/89/13/63/188891363.db2.gz WVKJXBSOOYXWCX-IHRRRGAJSA-N 1 0 298.452 2.134 10 0 CEAERO C[C@H]1Cc2ccccc2N1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054289974 540205860 /nfs/dbraw/zinc/20/58/60/540205860.db2.gz TUGQYOACJPHPHG-QWHCGFSZSA-N 1 0 258.365 2.354 10 0 CEAERO CNC(=[NH2+])Nc1cc(C)cc(I)c1 ZINC000575490156 366292088 /nfs/dbraw/zinc/29/20/88/366292088.db2.gz YHJMNZSZQNVVAC-UHFFFAOYSA-N 1 0 289.120 2.166 10 0 CEAERO C[C@H]1OCC[C@H]1[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000134241627 366302305 /nfs/dbraw/zinc/30/23/05/366302305.db2.gz JCUPSLGGDMYXAP-ZYHUDNBSSA-N 1 0 275.377 2.472 10 0 CEAERO CCc1cc2c(ncnc2N[C@@H](C)CC[NH3+])s1 ZINC000134268458 366305634 /nfs/dbraw/zinc/30/56/34/366305634.db2.gz ACDVRRDHZQDZHS-QMMMGPOBSA-N 1 0 250.371 2.403 10 0 CEAERO [NH3+]C1(Cc2ccc(Br)s2)CSC1 ZINC000575549201 366295153 /nfs/dbraw/zinc/29/51/53/366295153.db2.gz ITMZYBSRMCEPDI-UHFFFAOYSA-N 1 0 264.213 2.497 10 0 CEAERO C[C@@H]1C[C@@H]1NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000076078123 363519664 /nfs/dbraw/zinc/51/96/64/363519664.db2.gz GNDMOCBFHCRODV-DOMZBBRYSA-N 1 0 279.428 2.349 10 0 CEAERO 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GVKVWQMCQPWJMB-OAHLLOKOSA-N 1 0 296.798 2.319 10 0 CEAERO CC1(C)C[NH+](C[C@H]2CCC[C@H](O)C2)CC(C)(C)O1 ZINC000310772698 540410559 /nfs/dbraw/zinc/41/05/59/540410559.db2.gz DBQCQQIVSCCEQY-STQMWFEESA-N 1 0 255.402 2.427 10 0 CEAERO CCO[C@H]1C[C@H]([N@H+](C)CC(OC)OC)C12CCCC2 ZINC000136795815 366527028 /nfs/dbraw/zinc/52/70/28/366527028.db2.gz XGSMWAMLSAGCIQ-STQMWFEESA-N 1 0 271.401 2.275 10 0 CEAERO CC[C@H](NC(=O)[C@H]1CCC[C@H]([NH3+])C1)c1nccs1 ZINC000080268853 363652919 /nfs/dbraw/zinc/65/29/19/363652919.db2.gz XBESTWWHGJLOBJ-DCAQKATOSA-N 1 0 267.398 2.228 10 0 CEAERO CSc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000671715923 540491520 /nfs/dbraw/zinc/49/15/20/540491520.db2.gz LLMUHLRIVZLJFN-CHWSQXEVSA-N 1 0 294.420 2.192 10 0 CEAERO CCC1(C[N@@H+]2CCOCC3(CC3)C2)CCOCC1 ZINC000335987954 212785892 /nfs/dbraw/zinc/78/58/92/212785892.db2.gz AGQWFMUACLMJJX-UHFFFAOYSA-N 1 0 253.386 2.306 10 0 CEAERO C[C@H](NC(=O)CC[NH2+]C1CC1)c1cc(F)ccc1F ZINC000037612642 540611097 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ZINC000339051148 366631538 /nfs/dbraw/zinc/63/15/38/366631538.db2.gz FPCGQFKXJLWORG-NWANDNLSSA-N 1 0 275.396 2.340 10 0 CEAERO COc1ccc([C@@H](C)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000151326248 366640271 /nfs/dbraw/zinc/64/02/71/366640271.db2.gz OBTRYZOVBICLJP-ZBFHGGJFSA-N 1 0 292.423 2.193 10 0 CEAERO CCc1ccc([C@@H](C)NC[C@@H](O)C[NH+]2CCCCC2)o1 ZINC000151349990 366641547 /nfs/dbraw/zinc/64/15/47/366641547.db2.gz DLFIOUXKJAOLPH-ZIAGYGMSSA-N 1 0 280.412 2.339 10 0 CEAERO [NH3+]Cc1c(Br)ccnc1Br ZINC000299890081 283525689 /nfs/dbraw/zinc/52/56/89/283525689.db2.gz TYKONWYHUUJYSY-UHFFFAOYSA-N 1 0 265.936 2.065 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(COC)cc1 ZINC000176963880 189017520 /nfs/dbraw/zinc/01/75/20/189017520.db2.gz RCZDPVYWYXMQLD-MRXNPFEDSA-N 1 0 290.407 2.389 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CCc1ccco1 ZINC000176963271 189017635 /nfs/dbraw/zinc/01/76/35/189017635.db2.gz JIUIRLFTQWEXFQ-CYBMUJFWSA-N 1 0 264.369 2.155 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCc1ccccc1 ZINC000177025777 189021964 /nfs/dbraw/zinc/02/19/64/189021964.db2.gz OBERHULLKUOLQU-INIZCTEOSA-N 1 0 289.423 2.355 10 0 CEAERO CCc1ccc([C@@H](C)[NH2+][C@H](C)CS(C)(=O)=O)cc1 ZINC000081899614 363745653 /nfs/dbraw/zinc/74/56/53/363745653.db2.gz ZLMXLLASKUULFV-VXGBXAGGSA-N 1 0 269.410 2.333 10 0 CEAERO C[C@@H](CS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000081899758 363745861 /nfs/dbraw/zinc/74/58/61/363745861.db2.gz DMFIZMCWCUIMRF-YUMQZZPRSA-N 1 0 281.830 2.485 10 0 CEAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)CS(C)(=O)=O)c(C)c1 ZINC000081900568 363745412 /nfs/dbraw/zinc/74/54/12/363745412.db2.gz MCJGAXWODABZJU-CHWSQXEVSA-N 1 0 269.410 2.387 10 0 CEAERO CC[C@@H](C(=O)N[C@@H](C)COCc1ccccc1)[NH+](C)C ZINC000178567835 189127567 /nfs/dbraw/zinc/12/75/67/189127567.db2.gz ZYJIDDRFSDWUGL-ZFWWWQNUSA-N 1 0 278.396 2.048 10 0 CEAERO CC(C)COc1ccc([C@H](C)[NH2+][C@@H]2CCNC2=O)cc1 ZINC000179069926 189166398 /nfs/dbraw/zinc/16/63/98/189166398.db2.gz QCKKYQYLBTXPJX-SWLSCSKDSA-N 1 0 276.380 2.261 10 0 CEAERO Cc1cc(NC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)no1 ZINC000179133109 189171851 /nfs/dbraw/zinc/17/18/51/189171851.db2.gz JTYSDPGSUFXXGV-GFCCVEGCSA-N 1 0 280.372 2.225 10 0 CEAERO CCC[C@@H](C(=O)NCc1ccc([C@H](C)O)cc1)[NH+](C)C ZINC000179599516 189206151 /nfs/dbraw/zinc/20/61/51/189206151.db2.gz XELFMROXEKKKOX-WFASDCNBSA-N 1 0 278.396 2.086 10 0 CEAERO CCC[C@@H](C(=O)NCc1ccc([C@@H](C)O)cc1)[NH+](C)C ZINC000179599493 189206213 /nfs/dbraw/zinc/20/62/13/189206213.db2.gz XELFMROXEKKKOX-DOMZBBRYSA-N 1 0 278.396 2.086 10 0 CEAERO Cc1ccc(F)cc1C[N@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000180248578 189246084 /nfs/dbraw/zinc/24/60/84/189246084.db2.gz XCVKKDCQTZRHMZ-RHSMWYFYSA-N 1 0 292.398 2.287 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000038049604 283622560 /nfs/dbraw/zinc/62/25/60/283622560.db2.gz PLHCDPRJLDHMOR-JGVFFNPUSA-N 1 0 276.167 2.321 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc2c(c1)CCC2 ZINC000180582445 189263757 /nfs/dbraw/zinc/26/37/57/189263757.db2.gz WYVMSELXHBIVOB-BLLLJJGKSA-N 1 0 282.391 2.432 10 0 CEAERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc2ccccc2n1 ZINC000180589323 189264317 /nfs/dbraw/zinc/26/43/17/189264317.db2.gz GVMUKPJZEMVATC-OCCSQVGLSA-N 1 0 293.374 2.492 10 0 CEAERO CO[C@H](C)CCC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000180852917 189280055 /nfs/dbraw/zinc/28/00/55/189280055.db2.gz UFEJZJZPYVRDFM-HIFRSBDPSA-N 1 0 278.396 2.221 10 0 CEAERO O[C@H](COCc1ccccc1)C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000677730371 541039724 /nfs/dbraw/zinc/03/97/24/541039724.db2.gz IBKLUGXXVJSHSW-KBPBESRZSA-N 1 0 285.334 2.151 10 0 CEAERO [NH3+][C@H]1CC[C@H](C(=O)N2CCCc3cc(F)ccc32)C1 ZINC000237886587 283640994 /nfs/dbraw/zinc/64/09/94/283640994.db2.gz BHWAXKUOZRQPNV-AAEUAGOBSA-N 1 0 262.328 2.232 10 0 CEAERO CCOc1cc(C)ccc1CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000237041555 370683505 /nfs/dbraw/zinc/68/35/05/370683505.db2.gz PWZZBCVZBGDOPK-GXTWGEPZSA-N 1 0 276.380 2.137 10 0 CEAERO C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2C2CCCCC2)C1 ZINC000246886862 283657765 /nfs/dbraw/zinc/65/77/65/283657765.db2.gz IQDHNJRHHACWSX-QLFBSQMISA-N 1 0 264.413 2.413 10 0 CEAERO C[C@@H]1CN(c2ccc(Br)cn2)[C@@H](C)C[NH2+]1 ZINC000083119011 363770094 /nfs/dbraw/zinc/77/00/94/363770094.db2.gz GCYJDLJCCUBCNI-BDAKNGLRSA-N 1 0 270.174 2.031 10 0 CEAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)Cc1cccc(O)c1 ZINC000083704979 363785022 /nfs/dbraw/zinc/78/50/22/363785022.db2.gz HCCXBICFBVFEPO-DZGCQCFKSA-N 1 0 288.391 2.020 10 0 CEAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CCc1ccccn1 ZINC000083704406 363785170 /nfs/dbraw/zinc/78/51/70/363785170.db2.gz ZDWLBADWTGBTMP-GOEBONIOSA-N 1 0 259.397 2.183 10 0 CEAERO CCOC(=O)CCCCCN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000083748607 363786227 /nfs/dbraw/zinc/78/62/27/363786227.db2.gz ALNHTPKPRXDNPH-LSDHHAIUSA-N 1 0 282.428 2.278 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]C[C@@H]2CCCO2)C1 ZINC000083799115 363787110 /nfs/dbraw/zinc/78/71/10/363787110.db2.gz QALOGWXYQCTNLX-KBPBESRZSA-N 1 0 298.427 2.402 10 0 CEAERO [NH3+]Cc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000012370573 361380801 /nfs/dbraw/zinc/38/08/01/361380801.db2.gz IENPBNBXMPGBEX-UHFFFAOYSA-N 1 0 260.259 2.001 10 0 CEAERO Oc1cccc(C[N@@H+]2CCOCC3(CCOCC3)C2)c1 ZINC000183273283 189352446 /nfs/dbraw/zinc/35/24/46/189352446.db2.gz LBXUIABSWBTJOB-UHFFFAOYSA-N 1 0 277.364 2.021 10 0 CEAERO Cc1csc([C@H](C)N[C@H](C)[C@H]2CCC[NH2+]C2)n1 ZINC000581619081 366802318 /nfs/dbraw/zinc/80/23/18/366802318.db2.gz XTVMYGNWHXMAHM-WOPDTQHZSA-N 1 0 253.415 2.490 10 0 CEAERO Cc1ccc([C@@H](C)[NH2+]CCN2CCOCC2)cc1C ZINC000019954924 361570565 /nfs/dbraw/zinc/57/05/65/361570565.db2.gz QZBIPGHUWGCROV-OAHLLOKOSA-N 1 0 262.397 2.286 10 0 CEAERO [NH3+][C@@H]1CCCc2cccc(Br)c2[C@H]1O ZINC000019795500 361555196 /nfs/dbraw/zinc/55/51/96/361555196.db2.gz OXJVAHMZTUKYNS-KOLCDFICSA-N 1 0 256.143 2.146 10 0 CEAERO [NH3+][C@H]1CCCc2cccc(Br)c2[C@@H]1O ZINC000019795498 361555692 /nfs/dbraw/zinc/55/56/92/361555692.db2.gz OXJVAHMZTUKYNS-GXSJLCMTSA-N 1 0 256.143 2.146 10 0 CEAERO [NH3+]CC[C@@]12N[C@@H](Cc3ccccc31)c1ccccc12 ZINC000026012300 361634149 /nfs/dbraw/zinc/63/41/49/361634149.db2.gz FRGNWIPYAKQYQL-DLBZAZTESA-N 1 0 250.345 2.479 10 0 CEAERO C[NH+](C)C1(c2cccc(O)c2)CCC2(CC1)OCCO2 ZINC000027089279 361648702 /nfs/dbraw/zinc/64/87/02/361648702.db2.gz RMYURXYPQJGJDU-UHFFFAOYSA-N 1 0 277.364 2.466 10 0 CEAERO Nc1ncc(C[NH2+][C@H]2CCOc3ccccc32)s1 ZINC000261693282 283695268 /nfs/dbraw/zinc/69/52/68/283695268.db2.gz IRVVICTZDBTXDF-NSHDSACASA-N 1 0 261.350 2.339 10 0 CEAERO Cc1ccccc1[C@H](C)[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC000678727724 541167190 /nfs/dbraw/zinc/16/71/90/541167190.db2.gz MDPBJSHARSMXKT-UONOGXRCSA-N 1 0 281.421 2.470 10 0 CEAERO CN(CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)C1CCCC1 ZINC000085638450 363835581 /nfs/dbraw/zinc/83/55/81/363835581.db2.gz KCLLUAVSWAULCP-KKUMJFAQSA-N 1 0 266.429 2.264 10 0 CEAERO Cc1ccc2[nH+]ccc(NC[C@H]3CCS(=O)(=O)C3)c2c1 ZINC000302177888 201383172 /nfs/dbraw/zinc/38/31/72/201383172.db2.gz XVSCSGJVRFXHOA-GFCCVEGCSA-N 1 0 290.388 2.390 10 0 CEAERO COCC[N@H+](CCC1C[C@H](C)C[C@@H](C)C1)[C@@H](C)C(N)=O ZINC000089125930 363933089 /nfs/dbraw/zinc/93/30/89/363933089.db2.gz DLBNRGXZMBQQMJ-MCIONIFRSA-N 1 0 284.444 2.271 10 0 CEAERO c1cnn(CC2CC[NH+](Cc3cn4ccccc4n3)CC2)c1 ZINC000090473547 364058907 /nfs/dbraw/zinc/05/89/07/364058907.db2.gz JNGYPXRUKAUCIF-UHFFFAOYSA-N 1 0 295.390 2.443 10 0 CEAERO CCc1nn(C)c(Cl)c1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000092615981 364088088 /nfs/dbraw/zinc/08/80/88/364088088.db2.gz CIHRWQIPZGHNPF-GFCCVEGCSA-N 1 0 296.846 2.306 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccccc1F ZINC000092627411 364089934 /nfs/dbraw/zinc/08/99/34/364089934.db2.gz KJAUPBUYWJOAIQ-LBPRGKRZSA-N 1 0 264.344 2.382 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCc1ccncc1 ZINC000092696077 364099401 /nfs/dbraw/zinc/09/94/01/364099401.db2.gz MQYPQQJCWYYDMG-JKSUJKDBSA-N 1 0 259.397 2.183 10 0 CEAERO C[C@]12CCCC[C@H]1CN2C(=O)C[C@H]1CCC[NH2+]C1 ZINC000638757961 370729103 /nfs/dbraw/zinc/72/91/03/370729103.db2.gz QSACOISKKYUZBS-IPYPFGDCSA-N 1 0 250.386 2.167 10 0 CEAERO Cc1c(C[NH2+]CCOc2cccc(C)c2)cnn1C ZINC000093650185 364209723 /nfs/dbraw/zinc/20/97/23/364209723.db2.gz NTDCAHPIMMZRHV-UHFFFAOYSA-N 1 0 259.353 2.206 10 0 CEAERO Cc1c(C[NH2+]CCc2cc(F)cc(F)c2)cnn1C ZINC000093650249 364211578 /nfs/dbraw/zinc/21/15/78/364211578.db2.gz QDRWZUQYQBCHOP-UHFFFAOYSA-N 1 0 265.307 2.339 10 0 CEAERO C[C@@]1(C(=O)NC[C@@H]2CCCC23CC3)CCCC[NH2+]1 ZINC000638794402 370756087 /nfs/dbraw/zinc/75/60/87/370756087.db2.gz CGODOAKHULHJJC-JSGCOSHPSA-N 1 0 250.386 2.215 10 0 CEAERO C[C@]1(C(=O)NC[C@@H]2CCCC23CC3)CCCC[NH2+]1 ZINC000638794401 370756502 /nfs/dbraw/zinc/75/65/02/370756502.db2.gz CGODOAKHULHJJC-GXTWGEPZSA-N 1 0 250.386 2.215 10 0 CEAERO CCOC(=O)CCCCCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000093952654 364243611 /nfs/dbraw/zinc/24/36/11/364243611.db2.gz OGRXPOTZPYPPMK-OAHLLOKOSA-N 1 0 282.428 2.280 10 0 CEAERO Clc1nccc(COCCCC2CC[NH2+]CC2)n1 ZINC000095070322 364330945 /nfs/dbraw/zinc/33/09/45/364330945.db2.gz FHXXFLBGMABZPR-UHFFFAOYSA-N 1 0 269.776 2.426 10 0 CEAERO O=C(COCCC1CC[NH2+]CC1)c1cccs1 ZINC000095072937 364332298 /nfs/dbraw/zinc/33/22/98/364332298.db2.gz FYDOULHOAGTVHI-UHFFFAOYSA-N 1 0 253.367 2.337 10 0 CEAERO COc1nc2ccccc2nc1OCC[C@H]1CCC[NH2+]C1 ZINC000095071725 364332312 /nfs/dbraw/zinc/33/23/12/364332312.db2.gz IFASXBPTXOBMCC-GFCCVEGCSA-N 1 0 287.363 2.407 10 0 CEAERO O=[S@@](C[C@H]1CCCC[NH2+]1)c1nc2ccccc2o1 ZINC000095073502 364332523 /nfs/dbraw/zinc/33/25/23/364332523.db2.gz MNYXXQCZSJXPCO-MLCYQJTMSA-N 1 0 264.350 2.078 10 0 CEAERO C[NH2+][C@H](CCO)[C@@H]1CCCCN1Cc1ccccc1 ZINC000095075705 364332943 /nfs/dbraw/zinc/33/29/43/364332943.db2.gz ABIPJBCGWZQDKB-CVEARBPZSA-N 1 0 262.397 2.012 10 0 CEAERO CCc1cnc(N)nc1NCc1ccccc1C[NH+](C)C ZINC000095353400 364343959 /nfs/dbraw/zinc/34/39/59/364343959.db2.gz NIUQNSDOKBBSFP-UHFFFAOYSA-N 1 0 285.395 2.295 10 0 CEAERO c1ccc2nc(N3CCC[NH2+]CC3)c(NC3CC3)nc2c1 ZINC000095092787 364339340 /nfs/dbraw/zinc/33/93/40/364339340.db2.gz HRKMDPHKWPTZKZ-UHFFFAOYSA-N 1 0 283.379 2.004 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCC2(CC(C)C)CCCC2)C1 ZINC000094875964 364305437 /nfs/dbraw/zinc/30/54/37/364305437.db2.gz DRKJGFDVCSGERQ-ZIAGYGMSSA-N 1 0 282.428 2.086 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@H](c2ccncc2)[C@@H]([NH3+])C1 ZINC000096032665 364398231 /nfs/dbraw/zinc/39/82/31/364398231.db2.gz AGHANFLAWQUQJX-OLZOCXBDSA-N 1 0 277.368 2.133 10 0 CEAERO CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H](C)COC)c1 ZINC000103431783 364652235 /nfs/dbraw/zinc/65/22/35/364652235.db2.gz GZWFMUPHOBGABX-ZDUSSCGKSA-N 1 0 278.396 2.037 10 0 CEAERO CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)COC)c1ccco1 ZINC000103432541 364653308 /nfs/dbraw/zinc/65/33/08/364653308.db2.gz LMGFKIROSGLWPK-QWHCGFSZSA-N 1 0 282.384 2.061 10 0 CEAERO COC[C@H](C)C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000103434191 364653638 /nfs/dbraw/zinc/65/36/38/364653638.db2.gz SDCZMQXTYAFYNA-JSGCOSHPSA-N 1 0 294.395 2.124 10 0 CEAERO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCCNC2=O)c1 ZINC000335414279 364705222 /nfs/dbraw/zinc/70/52/22/364705222.db2.gz DJVSJTLYSBOHCE-GFCCVEGCSA-N 1 0 252.745 2.017 10 0 CEAERO CCOCC[N@@H+]1CCN(c2ccnc(C(C)C)n2)C[C@@H]1C ZINC000110560359 364721501 /nfs/dbraw/zinc/72/15/01/364721501.db2.gz PKRFCYMFOOKHBS-AWEZNQCLSA-N 1 0 292.427 2.147 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000111265252 364726444 /nfs/dbraw/zinc/72/64/44/364726444.db2.gz PODNOTGHALBUDD-OASPWFOLSA-N 1 0 294.395 2.334 10 0 CEAERO C[C@@H]1CN(C(=O)C2(c3ccccc3)CCCC2)C[C@@H]1[NH3+] ZINC000335483049 364790221 /nfs/dbraw/zinc/79/02/21/364790221.db2.gz IYRMEKRSQGBOGH-HIFRSBDPSA-N 1 0 272.392 2.304 10 0 CEAERO CSc1ccc(C)c(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000335616603 212329720 /nfs/dbraw/zinc/32/97/20/212329720.db2.gz JSBJMTFUOODXSP-MFKMUULPSA-N 1 0 264.394 2.136 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)Nc1ccccc1 ZINC000113269043 364882481 /nfs/dbraw/zinc/88/24/81/364882481.db2.gz NZTRKEJZQYPHPH-GOEBONIOSA-N 1 0 287.407 2.184 10 0 CEAERO Cc1ccccc1NC(=O)CN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113268918 364882498 /nfs/dbraw/zinc/88/24/98/364882498.db2.gz ADWHEWUBGUVEPO-LSDHHAIUSA-N 1 0 287.407 2.102 10 0 CEAERO C[C@@H]1C[N@@H+](CC(C)(C)O)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000112998016 364866142 /nfs/dbraw/zinc/86/61/42/364866142.db2.gz MQQIYMDAOSJVPU-TXEJJXNPSA-N 1 0 286.416 2.087 10 0 CEAERO Cc1cc(F)cc(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000335594214 212305818 /nfs/dbraw/zinc/30/58/18/212305818.db2.gz VBDMXMOHXYBKKQ-GXFFZTMASA-N 1 0 250.317 2.461 10 0 CEAERO C[C@H]1C[C@H]1NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115844603 365029369 /nfs/dbraw/zinc/02/93/69/365029369.db2.gz SZKXGRMTYXGGEX-IINYFYTJSA-N 1 0 279.359 2.095 10 0 CEAERO CCCC[C@H](CC)CNC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117023269 365089444 /nfs/dbraw/zinc/08/94/44/365089444.db2.gz KYLKYCCORVSHRM-LSDHHAIUSA-N 1 0 299.459 2.175 10 0 CEAERO CCOCC[N@@H+]1CCN(C(=O)NC(CC)CC)C[C@H]1CC ZINC000117023731 365089630 /nfs/dbraw/zinc/08/96/30/365089630.db2.gz PFQMNZGCSXYVKU-OAHLLOKOSA-N 1 0 299.459 2.317 10 0 CEAERO C[C@@]1(C(=O)N2CCO[C@@H](c3ccccc3)C2)CCCC[NH2+]1 ZINC000119071018 365211384 /nfs/dbraw/zinc/21/13/84/365211384.db2.gz LHPMWHMORAXNNU-WBVHZDCISA-N 1 0 288.391 2.119 10 0 CEAERO CCSCC[N@@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000119243812 365241766 /nfs/dbraw/zinc/24/17/66/365241766.db2.gz GHGWWWBAXCPWTI-AWEZNQCLSA-N 1 0 282.457 2.360 10 0 CEAERO C[NH+](C)C[C@@H](NC(=O)C1CC=CC1)c1ccccc1 ZINC000119467804 365278034 /nfs/dbraw/zinc/27/80/34/365278034.db2.gz XTEWMWKHOPNUHY-OAHLLOKOSA-N 1 0 258.365 2.372 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000042166302 283858151 /nfs/dbraw/zinc/85/81/51/283858151.db2.gz RXYQTBPZLRBYDW-MELADBBJSA-N 1 0 250.386 2.310 10 0 CEAERO C[C@H]1CC[C@@H](C(=O)N(CC[NH+](C)C)Cc2cccs2)O1 ZINC000120388058 365416720 /nfs/dbraw/zinc/41/67/20/365416720.db2.gz HSGHEKCPMIYHTA-JSGCOSHPSA-N 1 0 296.436 2.206 10 0 CEAERO CC(C)[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000120089184 365371070 /nfs/dbraw/zinc/37/10/70/365371070.db2.gz PCIXBZLLCVJUOF-AVGNSLFASA-N 1 0 255.406 2.013 10 0 CEAERO CC[C@H](C)C[N@@H+]1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000120590490 365446227 /nfs/dbraw/zinc/44/62/27/365446227.db2.gz MCXFUJQRAKVOJV-WFASDCNBSA-N 1 0 265.401 2.247 10 0 CEAERO CCSc1cccc(NC(=O)[C@H]2C[C@@H](OC)C[NH2+]2)c1 ZINC000572351573 299360366 /nfs/dbraw/zinc/36/03/66/299360366.db2.gz RFIIXXJHUMKVIZ-DGCLKSJQSA-N 1 0 280.393 2.114 10 0 CEAERO c1cc2c(cccc2C[N@@H+]2CC[C@H](N3CCOCC3)C2)[nH]1 ZINC000121088664 365522138 /nfs/dbraw/zinc/52/21/38/365522138.db2.gz QPKHUDNTQXQDCX-HNNXBMFYSA-N 1 0 285.391 2.074 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CC[C@H]1CC[C@H](C)O1 ZINC000245422771 370816895 /nfs/dbraw/zinc/81/68/95/370816895.db2.gz AIHAAMWFEHAXTB-RRFJBIMHSA-N 1 0 282.428 2.277 10 0 CEAERO CC[C@H]1CN(Cc2ccc(C)o2)CC[N@@H+]1CCOC ZINC000120926186 365497578 /nfs/dbraw/zinc/49/75/78/365497578.db2.gz WGHLZVLCULAHTL-AWEZNQCLSA-N 1 0 266.385 2.131 10 0 CEAERO C[NH2+]CC1CCN(c2ccnc3cccnc32)CC1 ZINC000341017236 367135599 /nfs/dbraw/zinc/13/55/99/367135599.db2.gz PDZBPQAVUHPQHJ-UHFFFAOYSA-N 1 0 256.353 2.066 10 0 CEAERO C[C@H](NC(=O)C1(C)C[NH2+]C1)c1cccc(Br)c1 ZINC000335552601 212256807 /nfs/dbraw/zinc/25/68/07/212256807.db2.gz PSOTXWGMPAQGDZ-VIFPVBQESA-N 1 0 297.196 2.236 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(OC)cs1 ZINC000245435114 370819556 /nfs/dbraw/zinc/81/95/56/370819556.db2.gz SHUZZOWDLABLDE-RYUDHWBXSA-N 1 0 294.420 2.456 10 0 CEAERO C[C@@H]1CN(C(=O)c2ccc(Cl)s2)C[C@H]1C[NH3+] ZINC000638886769 370820883 /nfs/dbraw/zinc/82/08/83/370820883.db2.gz SOMDGXPEYGMKPQ-HTQZYQBOSA-N 1 0 258.774 2.068 10 0 CEAERO C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC000638887171 370822009 /nfs/dbraw/zinc/82/20/09/370822009.db2.gz UQFKOQXLINIROL-GXSJLCMTSA-N 1 0 286.297 2.372 10 0 CEAERO C[C@H]1CN(C(=O)c2ccc(F)cc2Cl)C[C@H]1C[NH3+] ZINC000638888367 370822193 /nfs/dbraw/zinc/82/21/93/370822193.db2.gz XTXBKYQIISCYNV-DTWKUNHWSA-N 1 0 270.735 2.146 10 0 CEAERO CSc1ccc(C)c(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000638893296 370824966 /nfs/dbraw/zinc/82/49/66/370824966.db2.gz YLDDDDYPGKLIGT-NWDGAFQWSA-N 1 0 278.421 2.384 10 0 CEAERO CCc1noc([C@H](C)N(C)C[C@H]2CCC[N@H+]2CC)n1 ZINC000245479700 370826932 /nfs/dbraw/zinc/82/69/32/370826932.db2.gz WOEKWPSFNSQNGS-NWDGAFQWSA-N 1 0 266.389 2.109 10 0 CEAERO CCC[C@H](C)NC(=O)[C@H](C)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000245474644 370826953 /nfs/dbraw/zinc/82/69/53/370826953.db2.gz RDFXNFACPHIVDR-SOUVJXGZSA-N 1 0 283.460 2.096 10 0 CEAERO Cc1nnc([C@@H]2C[N@H+](C[C@@H]3CCC[C@@H](C)C3)CCO2)[nH]1 ZINC000245535175 370833382 /nfs/dbraw/zinc/83/33/82/370833382.db2.gz KITRSJNMRBBKOR-BNOWGMLFSA-N 1 0 278.400 2.313 10 0 CEAERO C[C@H](O)CN1CCN(C(=O)C(C)(C)C2CCCC2)C[C@H]1C ZINC000245660951 370855950 /nfs/dbraw/zinc/85/59/50/370855950.db2.gz NCFOUMQAGRUNFC-KGLIPLIRSA-N 1 0 296.455 2.116 10 0 CEAERO C[N@H+](C1CCCC1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245600137 370846912 /nfs/dbraw/zinc/84/69/12/370846912.db2.gz IRABUODVDIHLKK-CHWSQXEVSA-N 1 0 259.415 2.217 10 0 CEAERO CC[C@@H]1CN(c2ccc(C(F)(F)F)nn2)CC[C@@H]1[NH3+] ZINC000167124745 367336379 /nfs/dbraw/zinc/33/63/79/367336379.db2.gz BZVCOYXSIRYZQY-BDAKNGLRSA-N 1 0 274.290 2.059 10 0 CEAERO Cc1ccc(C)c(CC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000170828864 367427163 /nfs/dbraw/zinc/42/71/63/367427163.db2.gz XJVWJYUKFSDBEZ-INIZCTEOSA-N 1 0 272.392 2.153 10 0 CEAERO C[N@@H+]1CC[C@]23CCCO[C@@]2(C)[C@H]1Cc1ccc(O)cc13 ZINC000169347131 367369068 /nfs/dbraw/zinc/36/90/68/367369068.db2.gz HGLCYHZPKULZBG-IKGGRYGDSA-N 1 0 273.376 2.459 10 0 CEAERO COc1cc(F)ccc1NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000171075666 367471674 /nfs/dbraw/zinc/47/16/74/367471674.db2.gz VCKCPCITPHSTKY-NSHDSACASA-N 1 0 281.331 2.002 10 0 CEAERO Cc1nc2ccccc2cc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170857171 367432118 /nfs/dbraw/zinc/43/21/18/367432118.db2.gz KBKSENVORZSQQG-CQSZACIVSA-N 1 0 283.375 2.319 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc3ncsc3c2)C1 ZINC000170862390 367433963 /nfs/dbraw/zinc/43/39/63/367433963.db2.gz VGWKCDBTPLSFPW-LLVKDONJSA-N 1 0 275.377 2.072 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc3ncsc3c2)C1 ZINC000170862393 367434990 /nfs/dbraw/zinc/43/49/90/367434990.db2.gz VGWKCDBTPLSFPW-NSHDSACASA-N 1 0 275.377 2.072 10 0 CEAERO C[C@@H](SCc1ccccc1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170865537 367436771 /nfs/dbraw/zinc/43/67/71/367436771.db2.gz AJCUFXMBARTXED-UKRRQHHQSA-N 1 0 292.448 2.471 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2cccc3[nH]ccc32)C1 ZINC000171391733 367533885 /nfs/dbraw/zinc/53/38/85/367533885.db2.gz LVZOVODJDVAYOM-NSHDSACASA-N 1 0 272.352 2.336 10 0 CEAERO C[C@@H](NC(=O)NC[C@H]1CCC[N@H+](C)C1)c1cccs1 ZINC000171747089 367608053 /nfs/dbraw/zinc/60/80/53/367608053.db2.gz HXXKVKRIXJVXFV-VXGBXAGGSA-N 1 0 281.425 2.450 10 0 CEAERO CC(C)c1ccc(S(=O)(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000631968844 367629591 /nfs/dbraw/zinc/62/95/91/367629591.db2.gz XSWOTERBFOJUDU-JSGCOSHPSA-N 1 0 296.436 2.025 10 0 CEAERO CCn1cnnc1[C@@H]1CCC[N@H+](CCc2cccnc2)C1 ZINC000172159279 367686398 /nfs/dbraw/zinc/68/63/98/367686398.db2.gz ZUTGCFCOSBVBJN-OAHLLOKOSA-N 1 0 285.395 2.115 10 0 CEAERO CCc1nnc(C[N@@H+]2C[C@H](C)CCC[C@@H]2C)n1C ZINC000172874239 367834167 /nfs/dbraw/zinc/83/41/67/367834167.db2.gz UKTZSIBBAQGMRX-NEPJUHHUSA-N 1 0 250.390 2.388 10 0 CEAERO CCCCCC[C@H](C)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000173338677 367899800 /nfs/dbraw/zinc/89/98/00/367899800.db2.gz RFMRGAHPTXMMDT-UONOGXRCSA-N 1 0 270.417 2.040 10 0 CEAERO CC[C@@H](O)C[NH+]1CCN(Cc2cc(C)cc(C)c2)CC1 ZINC000174073478 367978869 /nfs/dbraw/zinc/97/88/69/367978869.db2.gz QGWFZGPEFFVNQW-QGZVFWFLSA-N 1 0 276.424 2.192 10 0 CEAERO CC[C@H](Oc1ccccc1C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000176455299 368240951 /nfs/dbraw/zinc/24/09/51/368240951.db2.gz RIFPTHMBGZGDEM-GJZGRUSLSA-N 1 0 290.407 2.315 10 0 CEAERO Cn1c(C[NH+]2C[C@H]3CCCC[C@@H]3C2)nnc1C1CC1 ZINC000177538300 368271330 /nfs/dbraw/zinc/27/13/30/368271330.db2.gz NXIWHSDIYMBZGA-CHWSQXEVSA-N 1 0 260.385 2.315 10 0 CEAERO Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CN(C)CCO1)[C@H](C)C2 ZINC000180844549 368399252 /nfs/dbraw/zinc/39/92/52/368399252.db2.gz WYHMSVCLLZTOSQ-FRFSOERESA-N 1 0 274.408 2.149 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C)c(O)c1 ZINC000181143699 368425972 /nfs/dbraw/zinc/42/59/72/368425972.db2.gz XCXCGUUZZPWMIW-HUUCEWRRSA-N 1 0 288.391 2.399 10 0 CEAERO C[C@@H]1CN(C(=O)Cc2c(Cl)cccc2Cl)C[C@H]1[NH3+] ZINC000335484302 212159765 /nfs/dbraw/zinc/15/97/65/212159765.db2.gz UDRHHHCEVBKJFL-PRHODGIISA-N 1 0 287.190 2.342 10 0 CEAERO C[C@@H]1CN(C(=O)Cc2cccc(C(F)(F)F)c2)C[C@@H]1[NH3+] ZINC000335483217 212158738 /nfs/dbraw/zinc/15/87/38/212158738.db2.gz KUTHHRCKLZTTHO-SKDRFNHKSA-N 1 0 286.297 2.054 10 0 CEAERO C[C@H]1CN(C(=O)CCc2ccccc2Cl)C[C@H]1[NH3+] ZINC000335482596 212156167 /nfs/dbraw/zinc/15/61/67/212156167.db2.gz FAGXDTZHVBORNO-GXFFZTMASA-N 1 0 266.772 2.078 10 0 CEAERO CC[C@@H](O)C[NH+]1CCN(CCCc2ccc(C)cc2)CC1 ZINC000181922641 368507027 /nfs/dbraw/zinc/50/70/27/368507027.db2.gz DNQHQMQKWQOTDZ-GOSISDBHSA-N 1 0 290.451 2.316 10 0 CEAERO CC(C)n1nnnc1C[NH2+][C@@H](C)C1CCCCC1 ZINC000182933430 368599457 /nfs/dbraw/zinc/59/94/57/368599457.db2.gz NBPAUQPMLTXECH-NSHDSACASA-N 1 0 251.378 2.312 10 0 CEAERO O=S1(=O)CCC[C@H]([NH2+][C@H]2CCCc3cc(F)ccc32)C1 ZINC000183285539 368620880 /nfs/dbraw/zinc/62/08/80/368620880.db2.gz IWMJGMXGQFLNBO-ZFWWWQNUSA-N 1 0 297.395 2.370 10 0 CEAERO CC(C)C[C@H](C)CC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246214883 370928706 /nfs/dbraw/zinc/92/87/06/370928706.db2.gz PBNWHYIOQPXSEW-KBPBESRZSA-N 1 0 252.402 2.365 10 0 CEAERO C[C@@H]1CC[C@@H](C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)O1 ZINC000246091240 370907019 /nfs/dbraw/zinc/90/70/19/370907019.db2.gz VDYSAJODZVQONM-KFWWJZLASA-N 1 0 280.412 2.031 10 0 CEAERO CC(C)(C)OC[C@H](O)CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000246096166 370908123 /nfs/dbraw/zinc/90/81/23/370908123.db2.gz ITFWRGWCCPCKGV-JKSUJKDBSA-N 1 0 298.471 2.113 10 0 CEAERO CCOC(C[N@@H+]1CCC[C@@H](Cc2noc(C)n2)C1)OCC ZINC000184964839 368731496 /nfs/dbraw/zinc/73/14/96/368731496.db2.gz IOAIMPJMRCCVJQ-ZDUSSCGKSA-N 1 0 297.399 2.032 10 0 CEAERO CC[C@@H]1CN([C@H](C)c2ccccn2)CC[N@@H+]1CCOC ZINC000246352383 370949179 /nfs/dbraw/zinc/94/91/79/370949179.db2.gz MGPYADZNBXWQPH-HUUCEWRRSA-N 1 0 277.412 2.185 10 0 CEAERO c1cnnc(N2CCC[N@@H+]([C@@H]3C=CCCC3)CC2)c1 ZINC000246304075 370943447 /nfs/dbraw/zinc/94/34/47/370943447.db2.gz XBHRXDUALFMLGU-CQSZACIVSA-N 1 0 258.369 2.097 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+]Cc2cc[nH]c2)C12CCOCC2 ZINC000185655216 368837002 /nfs/dbraw/zinc/83/70/02/368837002.db2.gz YQUKKGPNOBFLRK-KGLIPLIRSA-N 1 0 264.369 2.079 10 0 CEAERO O[C@@H](C[NH2+][C@@H]1CCCC12CC2)COCc1ccco1 ZINC000634723770 368839380 /nfs/dbraw/zinc/83/93/80/368839380.db2.gz CFNFGYPOFYLRQN-GXTWGEPZSA-N 1 0 265.353 2.079 10 0 CEAERO C[C@]1(O)CCCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ncccn1 ZINC000346699196 368779605 /nfs/dbraw/zinc/77/96/05/368779605.db2.gz CAQUGRVXEUTZFK-YCPHGPKFSA-N 1 0 275.396 2.382 10 0 CEAERO CCc1nc(NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)sc1C ZINC000634743517 368855812 /nfs/dbraw/zinc/85/58/12/368855812.db2.gz WQNATMILBJGDKS-HZMBPMFUSA-N 1 0 279.409 2.342 10 0 CEAERO C[C@@H]1CCCCN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634771513 368876249 /nfs/dbraw/zinc/87/62/49/368876249.db2.gz XUAUPXYEIKZFLH-IPYPFGDCSA-N 1 0 250.386 2.025 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCCC(F)(F)CC1 ZINC000634737633 368851636 /nfs/dbraw/zinc/85/16/36/368851636.db2.gz VZPRSJIEAPCQQG-WDEREUQCSA-N 1 0 260.328 2.009 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC(C)(C)CCOC ZINC000186143246 368924781 /nfs/dbraw/zinc/92/47/81/368924781.db2.gz DWAHQOFHCNKUFP-AWEZNQCLSA-N 1 0 299.459 2.175 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)NCc2ccc(Cl)cc2F)C1 ZINC000187865736 369239619 /nfs/dbraw/zinc/23/96/19/369239619.db2.gz AAEBSXCBMNWGGT-LBPRGKRZSA-N 1 0 299.777 2.325 10 0 CEAERO OC[C@H]1C[N@H+](CCOCC2CC2)C[C@@H]1c1ccsc1 ZINC000188058790 369286566 /nfs/dbraw/zinc/28/65/66/369286566.db2.gz PSBTTWVTWPJHOQ-HUUCEWRRSA-N 1 0 281.421 2.182 10 0 CEAERO CCc1ccccc1CC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000188288792 369332722 /nfs/dbraw/zinc/33/27/22/369332722.db2.gz KZYKEPLUMCIGAF-INIZCTEOSA-N 1 0 272.392 2.098 10 0 CEAERO CCS(=O)(=O)c1ccc(NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000227668346 189786781 /nfs/dbraw/zinc/78/67/81/189786781.db2.gz XNNDPWPSPIAYAO-CHWSQXEVSA-N 1 0 296.436 2.410 10 0 CEAERO CCc1ccccc1CN1CCO[C@H](Cn2cccn2)C1 ZINC000188962425 369435803 /nfs/dbraw/zinc/43/58/03/369435803.db2.gz RSJJLSPIHKLHBZ-KRWDZBQOSA-N 1 0 285.391 2.347 10 0 CEAERO CC(C)c1cc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ncn1 ZINC000228551878 189793888 /nfs/dbraw/zinc/79/38/88/189793888.db2.gz UNUCWCRVQLLBJZ-YNEHKIRRSA-N 1 0 260.385 2.164 10 0 CEAERO CC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(OCC(=O)OC)cc1 ZINC000189207872 369475578 /nfs/dbraw/zinc/47/55/78/369475578.db2.gz MCSHBBZRVCMWTI-BLLLJJGKSA-N 1 0 295.379 2.050 10 0 CEAERO COC(=O)c1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)s1 ZINC000246410752 370957429 /nfs/dbraw/zinc/95/74/29/370957429.db2.gz BCRICAXUAJYTIB-NEPJUHHUSA-N 1 0 294.420 2.203 10 0 CEAERO Cc1cncc(/C=C/C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000246415585 370958980 /nfs/dbraw/zinc/95/89/80/370958980.db2.gz RADLBONPJNOQPW-CKAOXQASSA-N 1 0 285.391 2.098 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)C1 ZINC000246581817 370980856 /nfs/dbraw/zinc/98/08/56/370980856.db2.gz SEIYGTXSCLWZMR-XLNGHYISSA-N 1 0 299.418 2.060 10 0 CEAERO Fc1cncc(CN2CCC([NH2+]CC3CC3)CC2)c1 ZINC000231432166 189812982 /nfs/dbraw/zinc/81/29/82/189812982.db2.gz AYOBFJFDUXYNLN-UHFFFAOYSA-N 1 0 263.360 2.185 10 0 CEAERO O=C1O[C@H](C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)CC12CCC2 ZINC000191948038 369755757 /nfs/dbraw/zinc/75/57/57/369755757.db2.gz YLGQVQXIRKRVPA-IHRRRGAJSA-N 1 0 279.380 2.116 10 0 CEAERO C[C@H]1CC[N@H+](C[C@H](O)COCc2ccccc2)CCS1 ZINC000192179007 369778371 /nfs/dbraw/zinc/77/83/71/369778371.db2.gz CCIGQNWGXBVXRN-HOCLYGCPSA-N 1 0 295.448 2.392 10 0 CEAERO C[C@H]([NH3+])CCC(=O)N1C[C@@H](c2ccccc2)OCC1(C)C ZINC000193236461 369908876 /nfs/dbraw/zinc/90/88/76/369908876.db2.gz CXCPCDRNQLTENZ-ZFWWWQNUSA-N 1 0 290.407 2.493 10 0 CEAERO CCCCOC[C@H](O)C[N@H+](C)Cc1ccc(C)o1 ZINC000193247064 369911295 /nfs/dbraw/zinc/91/12/95/369911295.db2.gz ZEQBHDQUYPBOCM-CYBMUJFWSA-N 1 0 255.358 2.197 10 0 CEAERO C[C@@H](O)C[N@@H+]1CCN(Cc2sccc2Cl)C[C@H]1C ZINC000194383767 370033622 /nfs/dbraw/zinc/03/36/22/370033622.db2.gz YJBHTTGIELXIFR-GHMZBOCLSA-N 1 0 288.844 2.288 10 0 CEAERO C[C@H](NC(=O)[C@]1(C[NH3+])CCCOC1)c1cccc(Cl)c1 ZINC000637882926 370145227 /nfs/dbraw/zinc/14/52/27/370145227.db2.gz JPLNYKZNBARSGV-NHYWBVRUSA-N 1 0 296.798 2.273 10 0 CEAERO CCN1CC[C@@H]2C[N@H+](CCc3ccccc3)CCN2C1=O ZINC000196446881 370146098 /nfs/dbraw/zinc/14/60/98/370146098.db2.gz MZIKBFQEOKFNPQ-MRXNPFEDSA-N 1 0 287.407 2.061 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)C2=CC[C@@H]([NH3+])C2)cc1F ZINC000638033422 370259072 /nfs/dbraw/zinc/25/90/72/370259072.db2.gz DWNDYNNFXCLJQZ-ZWNOBZJWSA-N 1 0 262.328 2.359 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cscc3Cl)C[C@H]12 ZINC000638169724 370352695 /nfs/dbraw/zinc/35/26/95/370352695.db2.gz YLOIECNDVJGYOF-VHSKPIJISA-N 1 0 270.785 2.211 10 0 CEAERO CN(C(=O)[C@@H]1CCCC12CC2)[C@H]1CCC[NH2+]CC1 ZINC000638191376 370366029 /nfs/dbraw/zinc/36/60/29/370366029.db2.gz AOGCSBNXLCHVTC-STQMWFEESA-N 1 0 250.386 2.167 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc2ncsc2c1 ZINC000227423477 370370930 /nfs/dbraw/zinc/37/09/30/370370930.db2.gz QYLAUWDKCURUBL-PSASIEDQSA-N 1 0 261.350 2.090 10 0 CEAERO CCS(=O)(=O)c1ccccc1N[C@@H]1CCC[NH2+][C@@H]1C ZINC000229611882 370428761 /nfs/dbraw/zinc/42/87/61/370428761.db2.gz MYVCZNUQTLUZOH-VXGBXAGGSA-N 1 0 282.409 2.033 10 0 CEAERO Cc1cc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cc(Cl)n1 ZINC000228427401 370403170 /nfs/dbraw/zinc/40/31/70/370403170.db2.gz DJWANJLGOPHLQH-DGCLKSJQSA-N 1 0 293.798 2.352 10 0 CEAERO CC(C)CNC(=O)[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2O ZINC000228977822 370416443 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CCOc1ccc(C(C)=O)cc1CN1C[C@H]([NH3+])[C@@H](C)C1 ZINC000233770534 370523139 /nfs/dbraw/zinc/52/31/39/370523139.db2.gz ZFTXYECREOUCME-NHYWBVRUSA-N 1 0 276.380 2.067 10 0 CEAERO [NH3+]Cc1cccc2c1N(C(=O)[C@@H]1C[C@H]3C[C@H]3C1)CCC2 ZINC000638542877 370601382 /nfs/dbraw/zinc/60/13/82/370601382.db2.gz MAAYAPJXAOJJCR-QDMKHBRRSA-N 1 0 270.376 2.471 10 0 CEAERO COc1nsc(C[NH2+][C@H]2C[C@@H]2C)c1Br ZINC000638547948 370603864 /nfs/dbraw/zinc/60/38/64/370603864.db2.gz AHXWFMMLRSCMQV-WDSKDSINSA-N 1 0 277.187 2.412 10 0 CEAERO C[C@@]1(C[NH3+])CCN(c2ccncc2Br)C1 ZINC000235441248 370566013 /nfs/dbraw/zinc/56/60/13/370566013.db2.gz GMNSFADXHPGWLD-NSHDSACASA-N 1 0 270.174 2.019 10 0 CEAERO C[C@H]1CN(Cc2ccccc2OC(F)F)C[C@@H]1[NH3+] ZINC000235673017 370573272 /nfs/dbraw/zinc/57/32/72/370573272.db2.gz RTKLXUWONHWSRA-ONGXEEELSA-N 1 0 256.296 2.067 10 0 CEAERO Cc1nc(N2C[C@@H](C[NH3+])C[C@@H]2C)ccc1Br ZINC000235697928 370574954 /nfs/dbraw/zinc/57/49/54/370574954.db2.gz XJKAHVUAVFOKOP-WCBMZHEXSA-N 1 0 284.201 2.326 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N1CCN(CC2CC2)c2ccccc21 ZINC000236823636 370635395 /nfs/dbraw/zinc/63/53/95/370635395.db2.gz PWGZCANTNZYMSQ-AWEZNQCLSA-N 1 0 287.407 2.377 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@H]1CCO[C@@H](C)C1 ZINC000358292733 370997593 /nfs/dbraw/zinc/99/75/93/370997593.db2.gz WIZDJMXYKMUVOP-CAOSSQGBSA-N 1 0 266.429 2.360 10 0 CEAERO COc1cccc([C@@H](C)[N@@H+]2CC[C@@H](N3CCOCC3)C2)c1 ZINC000247018675 371047328 /nfs/dbraw/zinc/04/73/28/371047328.db2.gz LZSLZDVPQVKUCT-GDBMZVCRSA-N 1 0 290.407 2.163 10 0 CEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Cc2ccc(F)c(F)c2)C1 ZINC000246739641 371002987 /nfs/dbraw/zinc/00/29/87/371002987.db2.gz AXMCMRAUSPZRSH-XHDPSFHLSA-N 1 0 296.361 2.352 10 0 CEAERO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(Cl)s2)C[C@@H]1C ZINC000246927712 371032306 /nfs/dbraw/zinc/03/23/06/371032306.db2.gz ARSFDRDMRSHZKU-QWRGUYRKSA-N 1 0 288.844 2.288 10 0 CEAERO CC[C@@H]1CN(C(=O)NC[C@H](C)C(C)C)CC[N@@H+]1CCOC ZINC000246992532 371041764 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ZINC000093393521 184670417 /nfs/dbraw/zinc/67/04/17/184670417.db2.gz BIJCQJIHKBSFMK-AWEZNQCLSA-N 1 0 259.353 2.167 10 0 CEAERO [NH3+]CC1CCC(C(=O)NCCc2cccs2)CC1 ZINC000093424736 184673193 /nfs/dbraw/zinc/67/31/93/184673193.db2.gz OBSXISJRLFCQME-UHFFFAOYSA-N 1 0 266.410 2.172 10 0 CEAERO COC(=O)c1sccc1NC(=O)C1CCC(C[NH3+])CC1 ZINC000093425574 184674208 /nfs/dbraw/zinc/67/42/08/184674208.db2.gz YBVCPOGUVGBGDL-UHFFFAOYSA-N 1 0 296.392 2.238 10 0 CEAERO C[C@@H](C[C@H]1CCC[NH2+]1)Nc1cccc(NC(N)=O)c1 ZINC000093464719 184678904 /nfs/dbraw/zinc/67/89/04/184678904.db2.gz PPYXVMZESLKEJI-WDEREUQCSA-N 1 0 262.357 2.120 10 0 CEAERO OC[C@H]1C[N@H+](C[C@H]2CCCC2(F)F)CCC1(F)F ZINC000336266709 285292643 /nfs/dbraw/zinc/29/26/43/285292643.db2.gz HKPGPKMQIJYIOC-NXEZZACHSA-N 1 0 269.282 2.371 10 0 CEAERO CCCCS(=O)(=O)[C@H]1CC(C)(C)CC[C@H]1[NH2+]C ZINC000081974108 177909096 /nfs/dbraw/zinc/90/90/96/177909096.db2.gz JUAKIMHZDNCLHX-NEPJUHHUSA-N 1 0 261.431 2.368 10 0 CEAERO COc1cccc(S(=O)(=O)[C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000081923472 177896787 /nfs/dbraw/zinc/89/67/87/177896787.db2.gz WCQRILHSBBVXFD-KGLIPLIRSA-N 1 0 283.393 2.129 10 0 CEAERO C[C@@H]([NH3+])CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000081920220 177894434 /nfs/dbraw/zinc/89/44/34/177894434.db2.gz POPQETQQABJBFZ-SECBINFHSA-N 1 0 261.774 2.241 10 0 CEAERO [NH3+][C@H]1c2ccccc2CC[C@@H]1Sc1ncnc2[nH]cnc21 ZINC000081876597 177871120 /nfs/dbraw/zinc/87/11/20/177871120.db2.gz XNEHGYNITKCDOV-RYUDHWBXSA-N 1 0 297.387 2.460 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1Sc1nnnn1-c1ccccc1 ZINC000081869144 177869042 /nfs/dbraw/zinc/86/90/42/177869042.db2.gz LMFFHJXAECCZKQ-NEPJUHHUSA-N 1 0 275.381 2.024 10 0 CEAERO CCC[C@H]([NH2+]CC)[C@H](CC)SCCS(C)(=O)=O ZINC000081768596 177855966 /nfs/dbraw/zinc/85/59/66/177855966.db2.gz IZKVMXPLHSIFJX-RYUDHWBXSA-N 1 0 281.487 2.321 10 0 CEAERO CCOc1ccc(NC(=O)CC2C[NH2+]C2)cc1OCC ZINC000081745658 177851376 /nfs/dbraw/zinc/85/13/76/177851376.db2.gz YLUVFIDSZAQBOZ-UHFFFAOYSA-N 1 0 278.352 2.032 10 0 CEAERO O[C@@H]1CCCC[C@@H]1[N@@H+]1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000299744673 285311796 /nfs/dbraw/zinc/31/17/96/285311796.db2.gz UCNMLDLPQJEYAF-XOKHGSTOSA-N 1 0 289.423 2.312 10 0 CEAERO Fc1ccc(Cc2noc([C@H]3CCC[NH2+]C3)n2)c(F)c1 ZINC000080961314 177740853 /nfs/dbraw/zinc/74/08/53/177740853.db2.gz LERLDZDITRMSDF-JTQLQIEISA-N 1 0 279.290 2.406 10 0 CEAERO Cc1cnc(NC(=O)[C@@]2([NH3+])CCC[C@H](C)C2)s1 ZINC000080906016 177725326 /nfs/dbraw/zinc/72/53/26/177725326.db2.gz PUNRIDCSWODTRI-QPUJVOFHSA-N 1 0 253.371 2.298 10 0 CEAERO NC(=[NH2+])[C@H](CSc1nncs1)c1ccccc1 ZINC000080794836 177707963 /nfs/dbraw/zinc/70/79/63/177707963.db2.gz CUWFAHQVZMIUNZ-SECBINFHSA-N 1 0 264.379 2.350 10 0 CEAERO Cc1nnc(SC[C@H](C(N)=[NH2+])c2ccccc2)o1 ZINC000080795271 177707849 /nfs/dbraw/zinc/70/78/49/177707849.db2.gz HLIBETSBFWNGSF-JTQLQIEISA-N 1 0 262.338 2.190 10 0 CEAERO CCOC(=O)C[C@]1([NH+]2CCCCC2)CCN(C(C)C)C1 ZINC000080692071 177692649 /nfs/dbraw/zinc/69/26/49/177692649.db2.gz PDNQZNQHQSLZNL-MRXNPFEDSA-N 1 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RGQVSOYSKLMBTD-GOEBONIOSA-N 1 0 279.380 2.092 10 0 CEAERO C[NH2+][C@@]1(CO)CCC[C@H]1CCOc1cccc(F)c1 ZINC000093621476 184697262 /nfs/dbraw/zinc/69/72/62/184697262.db2.gz MCOXFZWDKIZTBI-SWLSCSKDSA-N 1 0 267.344 2.345 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1CCS(=O)(=O)Cc1ccccc1 ZINC000093623071 184697944 /nfs/dbraw/zinc/69/79/44/184697944.db2.gz JEQKFKLNKDKZBK-KBPBESRZSA-N 1 0 267.394 2.119 10 0 CEAERO CCCCOCC[C@@H]1CCC[C@]1([NH2+]CCC)C(N)=O ZINC000093625255 184698059 /nfs/dbraw/zinc/69/80/59/184698059.db2.gz VFJMTYSHJFEVIV-DZGCQCFKSA-N 1 0 270.417 2.217 10 0 CEAERO Cc1c([C@@H](C[NH3+])N(C)c2ccccc2F)cnn1C ZINC000093650735 184703066 /nfs/dbraw/zinc/70/30/66/184703066.db2.gz GFSFINJRYNCXJU-CQSZACIVSA-N 1 0 262.332 2.004 10 0 CEAERO Cc1noc(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1C ZINC000093677930 184704849 /nfs/dbraw/zinc/70/48/49/184704849.db2.gz FBLWPAACYNGBJP-YOGCLGLASA-N 1 0 263.341 2.151 10 0 CEAERO CC[NH2+][C@H](Cc1nc([C@@H](C)OC)no1)C(C)(C)C ZINC000093693360 184707264 /nfs/dbraw/zinc/70/72/64/184707264.db2.gz PJFXIYPUHHVBKX-NXEZZACHSA-N 1 0 255.362 2.344 10 0 CEAERO COC(=O)C(C)(C)C[NH2+]CCCN(C)c1ccccc1 ZINC000093715299 184708814 /nfs/dbraw/zinc/70/88/14/184708814.db2.gz ZVYQIYMHRUDCBD-UHFFFAOYSA-N 1 0 278.396 2.302 10 0 CEAERO CCOC(=O)[C@]1(NC)CCC[C@H]([N@H+](C)CC(C)C)C1 ZINC000093749427 184713291 /nfs/dbraw/zinc/71/32/91/184713291.db2.gz RZDHGXSFUDBCAM-ZFWWWQNUSA-N 1 0 270.417 2.038 10 0 CEAERO CC(C)[NH2+][C@@]1(CO)CCC[C@@H](OCC(F)(F)F)C1 ZINC000093785192 184721929 /nfs/dbraw/zinc/72/19/29/184721929.db2.gz IVNMJTQBYRXJPK-MNOVXSKESA-N 1 0 269.307 2.237 10 0 CEAERO CC[NH2+][C@H](c1ccco1)[C@H]1CN(C(C)C)CCO1 ZINC000093927500 184744781 /nfs/dbraw/zinc/74/47/81/184744781.db2.gz SESWFONZHKOZQR-ZIAGYGMSSA-N 1 0 252.358 2.039 10 0 CEAERO CC1(C)C([NH3+])C(C)(C)C1NC(=O)N1CCCCCC1 ZINC000094006423 184749863 /nfs/dbraw/zinc/74/98/63/184749863.db2.gz ZNIAAFNGTJVNHZ-UHFFFAOYSA-N 1 0 267.417 2.334 10 0 CEAERO CN(CC1CC[NH2+]CC1)C(=O)c1ccccc1Cl ZINC000094021822 184750722 /nfs/dbraw/zinc/75/07/22/184750722.db2.gz UBSODPVLZYIXAR-UHFFFAOYSA-N 1 0 266.772 2.412 10 0 CEAERO CNC(=O)c1ccc(C)c(NC2CCC([NH3+])CC2)c1 ZINC000094080076 184753925 /nfs/dbraw/zinc/75/39/25/184753925.db2.gz TZNIPCKAEMJIRT-UHFFFAOYSA-N 1 0 261.369 2.036 10 0 CEAERO CCC[NH2+]CC[C@@](C)(O)Cc1nc2ccccc2n1C ZINC000094173271 184758949 /nfs/dbraw/zinc/75/89/49/184758949.db2.gz XBKNDSRGPIONSL-MRXNPFEDSA-N 1 0 275.396 2.257 10 0 CEAERO CCCn1c(CC[NH2+]CCOC)nc2ccccc21 ZINC000094171254 184759352 /nfs/dbraw/zinc/75/93/52/184759352.db2.gz SHMFWALCBWSNEE-UHFFFAOYSA-N 1 0 261.369 2.225 10 0 CEAERO CC1(C)CCCC[C@@H]1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000094328065 184781420 /nfs/dbraw/zinc/78/14/20/184781420.db2.gz UIPGNSSHDQSWIJ-OLZOCXBDSA-N 1 0 252.402 2.461 10 0 CEAERO CCN(CC)c1nc(C(F)(F)F)ccc1C(N)=[NH2+] ZINC000094336613 184783513 /nfs/dbraw/zinc/78/35/13/184783513.db2.gz ODDNOGJWGBUACE-UHFFFAOYSA-N 1 0 260.263 2.231 10 0 CEAERO CCOCC[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000094367942 184789935 /nfs/dbraw/zinc/78/99/35/184789935.db2.gz CYCGSQWODDUACF-GFCCVEGCSA-N 1 0 259.415 2.057 10 0 CEAERO CCN(C1C[NH2+]C1)[C@@H]1CCOC2(CCCCC2)C1 ZINC000094384535 184792302 /nfs/dbraw/zinc/79/23/02/184792302.db2.gz ROLXORQTDKYCTJ-CYBMUJFWSA-N 1 0 252.402 2.162 10 0 CEAERO [NH3+][C@@H](C1CCCC1)[C@H]1CCOC2(CCOCC2)C1 ZINC000094400135 184793187 /nfs/dbraw/zinc/79/31/87/184793187.db2.gz IRDNGSZGTHJLAJ-KBPBESRZSA-N 1 0 253.386 2.480 10 0 CEAERO Cc1cccnc1[C@@H]([NH3+])[C@@H]1CCOC2(CCOCC2)C1 ZINC000094401078 184793546 /nfs/dbraw/zinc/79/35/46/184793546.db2.gz DNNJFMXPLVFKNM-KGLIPLIRSA-N 1 0 276.380 2.366 10 0 CEAERO CCOC(OCC)[C@H]([NH3+])[C@H]1CCOC2(CCCC2)C1 ZINC000094407971 184794035 /nfs/dbraw/zinc/79/40/35/184794035.db2.gz VBDYXZVIDUOAHF-QWHCGFSZSA-N 1 0 271.401 2.452 10 0 CEAERO OC1CC[NH+]([C@@H]2CCOC3(CCCCC3)C2)CC1 ZINC000094410796 184794195 /nfs/dbraw/zinc/79/41/95/184794195.db2.gz WURUINMPEKEMIP-CYBMUJFWSA-N 1 0 253.386 2.325 10 0 CEAERO CC(C)(C)[NH2+]Cc1cnn([C@H]2CCO[C@]3(CCOC3)C2)c1 ZINC000094412589 184794300 /nfs/dbraw/zinc/79/43/00/184794300.db2.gz SDJOEDACLFXRJY-GOEBONIOSA-N 1 0 293.411 2.282 10 0 CEAERO COc1ccc2nc([C@@H]3CCCCC[C@@H]3[NH3+])[nH]c2n1 ZINC000094745933 184851580 /nfs/dbraw/zinc/85/15/80/184851580.db2.gz NWCCSWCMXDYKCW-ZJUUUORDSA-N 1 0 260.341 2.342 10 0 CEAERO CN(Cc1ccco1)C(=O)[C@@H]1CCCCC[C@H]1[NH3+] ZINC000094749887 184852421 /nfs/dbraw/zinc/85/24/21/184852421.db2.gz YYCOVWVXUVWAMX-CHWSQXEVSA-N 1 0 250.342 2.146 10 0 CEAERO CO[C@H]1CCC[C@@H](OCc2ccc(C[NH3+])cn2)C1 ZINC000094761754 184855574 /nfs/dbraw/zinc/85/55/74/184855574.db2.gz OTAOFLXTKKINFI-UONOGXRCSA-N 1 0 250.342 2.015 10 0 CEAERO CCn1nc(C)c(Cl)c1C[C@@H]([NH3+])[C@@]1(C)CCCO1 ZINC000094782748 184862904 /nfs/dbraw/zinc/86/29/04/184862904.db2.gz WSBJTVSTBGWHBB-DGCLKSJQSA-N 1 0 271.792 2.304 10 0 CEAERO CC[NH2+][C@@H](c1ccc2[nH]c(=O)oc2c1)[C@]1(C)CCCO1 ZINC000094788427 184864386 /nfs/dbraw/zinc/86/43/86/184864386.db2.gz YXPBGYQAULFTMR-ZFWWWQNUSA-N 1 0 276.336 2.341 10 0 CEAERO CC(C)(C)[NH2+]CCc1nnc([C@]2(C)CCCO2)o1 ZINC000094792700 184865631 /nfs/dbraw/zinc/86/56/31/184865631.db2.gz UCCNXBLEOPOUEZ-ZDUSSCGKSA-N 1 0 253.346 2.026 10 0 CEAERO CCC1(CC)CCN(C(=O)[C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000094803455 184869519 /nfs/dbraw/zinc/86/95/19/184869519.db2.gz TYUCASWSQLPIEY-OLZOCXBDSA-N 1 0 252.402 2.413 10 0 CEAERO C[NH2+][C@H](Cc1ccc2ccccc2n1)[C@H]1CSCCO1 ZINC000094503244 184811853 /nfs/dbraw/zinc/81/18/53/184811853.db2.gz CCILHECYJDGGSO-HZPDHXFCSA-N 1 0 288.416 2.497 10 0 CEAERO Cn1cnnc1CC[NH2+]Cc1cccc(C2CC2)c1 ZINC000094519860 184813596 /nfs/dbraw/zinc/81/35/96/184813596.db2.gz VUYYOBOWQZPGIM-UHFFFAOYSA-N 1 0 256.353 2.025 10 0 CEAERO CC[NH2+]CCc1cn(C[C@@H]2Cc3cc(F)ccc3O2)cn1 ZINC000094530024 184814501 /nfs/dbraw/zinc/81/45/01/184814501.db2.gz DKAPNBBRDOUCGC-HNNXBMFYSA-N 1 0 289.354 2.178 10 0 CEAERO Cc1ccccc1-c1cnc(N2CCC[NH2+]CC2)nc1 ZINC000094577245 184821109 /nfs/dbraw/zinc/82/11/09/184821109.db2.gz YMCSWGMZRYJEOG-UHFFFAOYSA-N 1 0 268.364 2.252 10 0 CEAERO C[NH2+]Cc1cccc(O[C@H]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000094634457 184830276 /nfs/dbraw/zinc/83/02/76/184830276.db2.gz JCIISNPLLCCEIE-LSDHHAIUSA-N 1 0 297.420 2.141 10 0 CEAERO CC[NH2+][C@@H](Cc1ccc(OC)nc1)CC1CCOCC1 ZINC000094632943 184830552 /nfs/dbraw/zinc/83/05/52/184830552.db2.gz WQZOBSGLFFZICX-OAHLLOKOSA-N 1 0 278.396 2.428 10 0 CEAERO CC(C)[NH2+]CCC[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094644556 184832084 /nfs/dbraw/zinc/83/20/84/184832084.db2.gz QVADVSDTYTVXJL-OLZOCXBDSA-N 1 0 261.431 2.368 10 0 CEAERO Cc1ncccc1C(=O)N[C@@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000094649649 184834717 /nfs/dbraw/zinc/83/47/17/184834717.db2.gz SZZJQNNYAZDYLU-ABAIWWIYSA-N 1 0 261.369 2.027 10 0 CEAERO CCC[NH2+][C@H](COC)c1cc(OC)cc(OC)c1 ZINC000094650994 184835144 /nfs/dbraw/zinc/83/51/44/184835144.db2.gz DGVIJISSYHLPKY-CQSZACIVSA-N 1 0 253.342 2.391 10 0 CEAERO Oc1cccc(CN2CC[NH2+]C[C@@H]2Cc2ccccc2)c1 ZINC000094689701 184839412 /nfs/dbraw/zinc/83/94/12/184839412.db2.gz QLOHHQQPLUARBI-KRWDZBQOSA-N 1 0 282.387 2.409 10 0 CEAERO Cc1cc(C)cc(CS(=O)(=O)[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000094721237 184846556 /nfs/dbraw/zinc/84/65/56/184846556.db2.gz QNWAFPJIDYBHJN-GJZGRUSLSA-N 1 0 281.421 2.346 10 0 CEAERO CN(Cc1cccc(C[NH3+])c1)c1ccc2nccnc2n1 ZINC000094725701 184847133 /nfs/dbraw/zinc/84/71/33/184847133.db2.gz AHFWQOYOTJYRNG-UHFFFAOYSA-N 1 0 279.347 2.120 10 0 CEAERO CCOc1ccc(NC(=O)CC[C@H]2CCCC[NH2+]2)cn1 ZINC000094988892 184911206 /nfs/dbraw/zinc/91/12/06/184911206.db2.gz QUCHWPNZMVWAOO-GFCCVEGCSA-N 1 0 277.368 2.341 10 0 CEAERO CCCCN(CC[NH3+])C(=O)Cc1ccc(F)c(F)c1 ZINC000095061848 184927128 /nfs/dbraw/zinc/92/71/28/184927128.db2.gz ASVYTAVOMKFJBU-UHFFFAOYSA-N 1 0 270.323 2.095 10 0 CEAERO CN(C[C@H]1CC[NH2+]C1)c1nc2ccccc2nc1NC1CC1 ZINC000095071259 184932792 /nfs/dbraw/zinc/93/27/92/184932792.db2.gz HUQWAYYPAHIPDY-LBPRGKRZSA-N 1 0 297.406 2.250 10 0 CEAERO CN[C@@H](CC[N@H+](C)C1CCC(C)(C)CC1)C(=O)OC ZINC000094860931 184883236 /nfs/dbraw/zinc/88/32/36/184883236.db2.gz PJOZXJDTMLCXOW-ZDUSSCGKSA-N 1 0 270.417 2.038 10 0 CEAERO CN(CC[NH2+]C(C)(C)C)c1ncnc2c1CCCC2 ZINC000094872851 184885745 /nfs/dbraw/zinc/88/57/45/184885745.db2.gz SOVNVDYWSXRCPR-UHFFFAOYSA-N 1 0 262.401 2.180 10 0 CEAERO CC1(C(=O)N2C[C@H]3C[NH2+]C[C@@H]3C2(C)C)CCCC1 ZINC000094906234 184891128 /nfs/dbraw/zinc/89/11/28/184891128.db2.gz RFQFZHMDNDAXKK-NEPJUHHUSA-N 1 0 250.386 2.023 10 0 CEAERO CCCS(=O)(=O)c1ccccc1N[C@H](C)CCC[NH3+] ZINC000094948143 184901490 /nfs/dbraw/zinc/90/14/90/184901490.db2.gz BKSBAWGOCDVNMV-GFCCVEGCSA-N 1 0 284.425 2.410 10 0 CEAERO CC[C@H](CCO)C[NH2+]C[C@H]1Cc2cc(F)ccc2O1 ZINC000094953762 184903195 /nfs/dbraw/zinc/90/31/95/184903195.db2.gz CJMVYFKUTALDSX-BXUZGUMPSA-N 1 0 267.344 2.127 10 0 CEAERO CCOC(=O)CC[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000189896138 130036808 /nfs/dbraw/zinc/03/68/08/130036808.db2.gz ZTBGMRJXLGYJNY-ZDUSSCGKSA-N 1 0 287.363 2.476 10 0 CEAERO Cc1ccc(OC[C@H](O)C[NH2+][C@@H](C)[C@H]2CCCO2)c(C)c1 ZINC000249689115 131122041 /nfs/dbraw/zinc/12/20/41/131122041.db2.gz WCINIIYEVBRUEL-ZMSDIMECSA-N 1 0 293.407 2.200 10 0 CEAERO C[C@@H]1C[C@@H]([NH2+][C@H](CN(C)C)c2ccccc2)CCO1 ZINC000252218736 131133211 /nfs/dbraw/zinc/13/32/11/131133211.db2.gz ZUVPFUZIJSJHIQ-VNQPRFMTSA-N 1 0 262.397 2.446 10 0 CEAERO C[C@H](C[NH3+])C(=O)NCCc1c(Cl)cccc1Cl ZINC000262200665 131200127 /nfs/dbraw/zinc/20/01/27/131200127.db2.gz MZBYZNKEYCEIRG-MRVPVSSYSA-N 1 0 275.179 2.247 10 0 CEAERO C[S@](=O)c1cccc(NC(=O)CCCCCC[NH3+])c1 ZINC000262602482 131240087 /nfs/dbraw/zinc/24/00/87/131240087.db2.gz DITPNBQJJHTELB-IBGZPJMESA-N 1 0 282.409 2.272 10 0 CEAERO C[C@H](C[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1)N1CCOCC1 ZINC000263165656 131284785 /nfs/dbraw/zinc/28/47/85/131284785.db2.gz PXQXMWZMNJMUQM-NFAWXSAZSA-N 1 0 278.396 2.213 10 0 CEAERO FC(F)(F)c1ccc2c(c1)N1CC[NH2+]C[C@H]1CC2 ZINC000005162058 134654726 /nfs/dbraw/zinc/65/47/26/134654726.db2.gz SLJVNPOUWPQHPM-LLVKDONJSA-N 1 0 256.271 2.430 10 0 CEAERO C[C@@H](O)c1cc(F)ccc1N1CCC([NH+](C)C)CC1 ZINC000036192594 134810558 /nfs/dbraw/zinc/81/05/58/134810558.db2.gz XMQAVYGEYZHFEY-LLVKDONJSA-N 1 0 266.360 2.409 10 0 CEAERO C[C@H]1C[NH2+]CCN1c1ccc(Br)cc1 ZINC000041325065 134879533 /nfs/dbraw/zinc/87/95/33/134879533.db2.gz KNTNOENPOFIUDH-VIFPVBQESA-N 1 0 255.159 2.247 10 0 CEAERO CC1CCN(c2nc3c(cc2C(N)=[NH2+])CCCC3)CC1 ZINC000043410352 134902072 /nfs/dbraw/zinc/90/20/72/134902072.db2.gz ZPQIWAZMEFOYPQ-UHFFFAOYSA-N 1 0 272.396 2.481 10 0 CEAERO C[C@@H]1CN(c2ccc(F)cc2C(N)=[NH2+])C[C@H](C)S1 ZINC000070383590 134946565 /nfs/dbraw/zinc/94/65/65/134946565.db2.gz ZZAPOKQETZXLAO-DTORHVGOSA-N 1 0 267.373 2.440 10 0 CEAERO CCCOc1cncc(N2CCC(C[NH2+]C(C)C)CC2)n1 ZINC000071176787 134959891 /nfs/dbraw/zinc/95/98/91/134959891.db2.gz GRYTXMSMLQNYFF-UHFFFAOYSA-N 1 0 292.427 2.480 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C)CN1c1ccc(F)c(OC)c1 ZINC000083393368 135018020 /nfs/dbraw/zinc/01/80/20/135018020.db2.gz VOJSCXGUKCQPCJ-QWRGUYRKSA-N 1 0 252.333 2.411 10 0 CEAERO CC[C@@H]1CN(c2ccc(F)cc2OC)[C@H](C)C[NH2+]1 ZINC000083393320 135018188 /nfs/dbraw/zinc/01/81/88/135018188.db2.gz BDOPKQMHWQVRDN-ZYHUDNBSSA-N 1 0 252.333 2.411 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](C)CN1c1ccc(C(F)(F)F)nc1 ZINC000083431691 135021087 /nfs/dbraw/zinc/02/10/87/135021087.db2.gz CQJKXZWJOGGURK-DTWKUNHWSA-N 1 0 259.275 2.287 10 0 CEAERO CC[C@@H]1CN(c2ccc(C(F)(F)F)nc2)CC[NH2+]1 ZINC000083431683 135021103 /nfs/dbraw/zinc/02/11/03/135021103.db2.gz UQRLBNKTIRBVMB-SECBINFHSA-N 1 0 259.275 2.289 10 0 CEAERO COc1cc(OC)cc(N2CC[NH2+]C[C@@H]2C(C)C)c1 ZINC000083479500 135023722 /nfs/dbraw/zinc/02/37/22/135023722.db2.gz WHCOGLGOJNCPKU-OAHLLOKOSA-N 1 0 264.369 2.138 10 0 CEAERO COc1cc(F)ccc1N1C[C@H](C2CC2)[NH2+]C[C@@H]1C ZINC000086257089 135039939 /nfs/dbraw/zinc/03/99/39/135039939.db2.gz MQCSRKLNBFUILL-GXFFZTMASA-N 1 0 264.344 2.411 10 0 CEAERO CC[C@@H]1CCCCN1c1nc(NN)[nH+]cc1Cl ZINC000087905613 135052126 /nfs/dbraw/zinc/05/21/26/135052126.db2.gz MXWZUZLYSLFLQW-MRVPVSSYSA-N 1 0 255.753 2.185 10 0 CEAERO [NH3+]Cc1cccnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC000088416201 135054010 /nfs/dbraw/zinc/05/40/10/135054010.db2.gz WFVMPGBJWZRYPV-SNVBAGLBSA-N 1 0 259.275 2.319 10 0 CEAERO [NH3+]Cc1cc(N2CCC(C(F)(F)F)CC2)ccn1 ZINC000088416235 135054157 /nfs/dbraw/zinc/05/41/57/135054157.db2.gz KNLCIZUNHMPKBA-UHFFFAOYSA-N 1 0 259.275 2.319 10 0 CEAERO CCC[NH2+]C[C@H]1CCCCN1c1cc(OCC)ncn1 ZINC000090784614 135064621 /nfs/dbraw/zinc/06/46/21/135064621.db2.gz BLYUDLQETOYTAS-CYBMUJFWSA-N 1 0 278.400 2.234 10 0 CEAERO CCC[NH2+]C[C@@H]1CCCN(c2cc(OCC)ncn2)C1 ZINC000090784625 135064652 /nfs/dbraw/zinc/06/46/52/135064652.db2.gz FVCXARYWVRMECA-ZDUSSCGKSA-N 1 0 278.400 2.091 10 0 CEAERO CC[NH2+]C[C@@H]1CCCCN1c1ncnc(OCC)c1C ZINC000090789893 135065595 /nfs/dbraw/zinc/06/55/95/135065595.db2.gz DIRPJZDPFDWSOF-ZDUSSCGKSA-N 1 0 278.400 2.152 10 0 CEAERO C[C@H]1CCc2ccccc2N1CC[C@@H]1C[NH2+]CCO1 ZINC000091313552 135067715 /nfs/dbraw/zinc/06/77/15/135067715.db2.gz PEPJUQBLCONSKD-DZGCQCFKSA-N 1 0 260.381 2.206 10 0 CEAERO C[C@H](O)C(C)(C)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000091405678 135068999 /nfs/dbraw/zinc/06/89/99/135068999.db2.gz GNNBVYRUEHEORF-ZDUSSCGKSA-N 1 0 280.387 2.355 10 0 CEAERO C[C@H]([C@@H](C)C[NH3+])N1CCN(c2ccccc2Cl)CC1 ZINC000093068716 135078789 /nfs/dbraw/zinc/07/87/89/135078789.db2.gz UKHXLAYPUYQFCU-QWHCGFSZSA-N 1 0 281.831 2.445 10 0 CEAERO C[NH2+]C[C@H](C)[C@H](C)N1CCN(c2ccccc2F)CC1 ZINC000093068232 135079112 /nfs/dbraw/zinc/07/91/12/135079112.db2.gz SRKDKXJZAJULRI-KBPBESRZSA-N 1 0 279.403 2.192 10 0 CEAERO C[C@H]1CN(c2cccc(F)c2C[NH3+])CC(C)(C)O1 ZINC000093395398 135080358 /nfs/dbraw/zinc/08/03/58/135080358.db2.gz OSXYBZOUBCBERU-JTQLQIEISA-N 1 0 252.333 2.288 10 0 CEAERO COC1CCN(c2nc(C(F)(F)F)ccc2C[NH3+])CC1 ZINC000094334086 135086117 /nfs/dbraw/zinc/08/61/17/135086117.db2.gz MOXDNGROCCJJBU-UHFFFAOYSA-N 1 0 289.301 2.174 10 0 CEAERO Cc1ccc2ncc(N3CC[NH2+][C@H](C(C)C)C3)nc2c1 ZINC000217795902 394456275 /nfs/dbraw/zinc/45/62/75/394456275.db2.gz KZLALTSPLCKACF-HNNXBMFYSA-N 1 0 270.380 2.372 10 0 CEAERO CS[C@@H]1CCC[C@H](NC(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000246291611 394513363 /nfs/dbraw/zinc/51/33/63/394513363.db2.gz NINWNFMLDLOBFS-ZDEQEGDKSA-N 1 0 270.442 2.294 10 0 CEAERO COc1cc(N)cc(OC)c1OCC[NH+]1CCCCC1 ZINC000224788607 394467165 /nfs/dbraw/zinc/46/71/65/394467165.db2.gz ZTLMFLYRNZFTMM-UHFFFAOYSA-N 1 0 280.368 2.151 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1SCC ZINC000236926681 394490217 /nfs/dbraw/zinc/49/02/17/394490217.db2.gz BJXQUTLBQDTAAM-SRVKXCTJSA-N 1 0 258.431 2.294 10 0 CEAERO CCC[C@H](C)[C@H](CC)[NH2+][C@H]1CCc2ncnn2C1 ZINC000246425184 394515516 /nfs/dbraw/zinc/51/55/16/394515516.db2.gz NLMGGRUCFOOPPT-AVGNSLFASA-N 1 0 250.390 2.397 10 0 CEAERO CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000040463735 394498973 /nfs/dbraw/zinc/49/89/73/394498973.db2.gz VMDOOLBETQBMGB-UTLUCORTSA-N 1 0 266.307 2.207 10 0 CEAERO CCC(CC)C[N@@H+]1CCN(C[C@H](C)O)[C@H](CC)C1 ZINC000245906885 394506352 /nfs/dbraw/zinc/50/63/52/394506352.db2.gz LVHZXYWDMFCMHR-DZGCQCFKSA-N 1 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395023520 /nfs/dbraw/zinc/02/35/20/395023520.db2.gz QPFBBMLKLAPLEM-UHFFFAOYSA-N 1 0 292.404 2.101 10 0 CEAERO CC(C)COc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC000423635352 394960612 /nfs/dbraw/zinc/96/06/12/394960612.db2.gz FDBJJVUGOIWRDU-IUODEOHRSA-N 1 0 276.380 2.283 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2CCCc3sccc32)C1 ZINC000136580236 394970312 /nfs/dbraw/zinc/97/03/12/394970312.db2.gz OPEGECMQGSFBEZ-YPMHNXCESA-N 1 0 293.436 2.471 10 0 CEAERO CO[C@@H]1C[C@H](CO)[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000343973868 395047329 /nfs/dbraw/zinc/04/73/29/395047329.db2.gz HLGICPSLAHZDKN-CHWSQXEVSA-N 1 0 289.297 2.287 10 0 CEAERO C[C@](O)(C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)C(F)(F)F ZINC000344289782 395053070 /nfs/dbraw/zinc/05/30/70/395053070.db2.gz AZDRDSPIPOEEJU-BFLSOPEQSA-N 1 0 281.318 2.093 10 0 CEAERO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CN(C)CCO1 ZINC000160319829 395061023 /nfs/dbraw/zinc/06/10/23/395061023.db2.gz AYOAHOASSLBWNM-ILXRZTDVSA-N 1 0 254.418 2.121 10 0 CEAERO Cc1cc(N2CC[C@@H]([C@@H](C)[NH3+])C2)ncc1Br ZINC000163966662 395085235 /nfs/dbraw/zinc/08/52/35/395085235.db2.gz IEXCRNDMNVNOGO-NXEZZACHSA-N 1 0 284.201 2.326 10 0 CEAERO CCC[C@H]([NH3+])C(=O)NCCCOc1ccccc1C ZINC000158201445 395040645 /nfs/dbraw/zinc/04/06/45/395040645.db2.gz KVCAOIYUJUWKQS-ZDUSSCGKSA-N 1 0 264.369 2.008 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccco1 ZINC000174610847 395126058 /nfs/dbraw/zinc/12/60/58/395126058.db2.gz RAVCPDRAOVSCCA-QWHCGFSZSA-N 1 0 277.368 2.048 10 0 CEAERO O[C@H](CC1CCCC1)C[N@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000398798316 395238360 /nfs/dbraw/zinc/23/83/60/395238360.db2.gz QIEBABNBBNBNMV-QKPAOTATSA-N 1 0 267.413 2.020 10 0 CEAERO CN(CCOCc1ccccc1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000383998000 395189081 /nfs/dbraw/zinc/18/90/81/395189081.db2.gz BVLYOMCMTRBQDJ-INIZCTEOSA-N 1 0 290.407 2.051 10 0 CEAERO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](CCc2cccs2)C1 ZINC000189312303 395324934 /nfs/dbraw/zinc/32/49/34/395324934.db2.gz HQPSAWKQZOYCAB-WCQYABFASA-N 1 0 293.392 2.444 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCCC3(CC3)C2)C1 ZINC000185846333 395283055 /nfs/dbraw/zinc/28/30/55/395283055.db2.gz NVVVCFGETGYHQF-KGLIPLIRSA-N 1 0 279.428 2.301 10 0 CEAERO CC(C)[C@]1(C)C[C@@H]1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000185911071 395284015 /nfs/dbraw/zinc/28/40/15/395284015.db2.gz DWEVISUBVLDBOR-FMKPAKJESA-N 1 0 264.413 2.365 10 0 CEAERO CCCCCS(=O)(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000188218585 395311938 /nfs/dbraw/zinc/31/19/38/395311938.db2.gz BBNXSDPFCUIOJA-CYBMUJFWSA-N 1 0 278.462 2.072 10 0 CEAERO CC[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000401919867 395265255 /nfs/dbraw/zinc/26/52/55/395265255.db2.gz WHYFGSAVHDKVQL-SYQHCUMBSA-N 1 0 252.402 2.460 10 0 CEAERO CCCCOC[C@H](O)C[N@H+](C)Cc1ccc(OC)c(O)c1 ZINC000195182795 395461548 /nfs/dbraw/zinc/46/15/48/395461548.db2.gz IVKZRLLDRIPRSP-CQSZACIVSA-N 1 0 297.395 2.010 10 0 CEAERO O=C(c1cccc2c1CCC2)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195337996 395464598 /nfs/dbraw/zinc/46/45/98/395464598.db2.gz RQUOLUSHHGKDBM-AWEZNQCLSA-N 1 0 270.376 2.096 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)CCc2ccc(F)cc2)C1 ZINC000194636135 395444875 /nfs/dbraw/zinc/44/48/75/395444875.db2.gz KMEPJANGSLOZCX-HNNXBMFYSA-N 1 0 278.371 2.359 10 0 CEAERO C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCC[C@H]([NH3+])C2)o1 ZINC000646568813 396359080 /nfs/dbraw/zinc/35/90/80/396359080.db2.gz SOKNZPJFFAEWMY-DYEKYZERSA-N 1 0 276.380 2.285 10 0 CEAERO C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCC[C@@H]2C[NH3+])o1 ZINC000646796387 396382179 /nfs/dbraw/zinc/38/21/79/396382179.db2.gz FOYTVGLMJCPFDC-YRGRVCCFSA-N 1 0 276.380 2.285 10 0 CEAERO Cc1ccc([C@@H](C)CC[N@H+]2CCc3nncn3CC2)o1 ZINC000012131829 400105097 /nfs/dbraw/zinc/10/50/97/400105097.db2.gz WOIUTKKQXJUDBA-LBPRGKRZSA-N 1 0 274.368 2.231 10 0 CEAERO COc1ccc(C[NH2+]CC[C@@H]2CCCO2)c(OC)c1 ZINC000037988590 400122652 /nfs/dbraw/zinc/12/26/52/400122652.db2.gz SQIOZSQTTMNRGJ-ZDUSSCGKSA-N 1 0 265.353 2.363 10 0 CEAERO CCC[C@H](C[N@@H+]1C[C@H]2CCCCN2C[C@H]1C)OC ZINC000386218334 400525683 /nfs/dbraw/zinc/52/56/83/400525683.db2.gz NXHKMJUPEHERKC-RBSFLKMASA-N 1 0 254.418 2.360 10 0 CEAERO O[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@H](N3CCCC3)C2)C1 ZINC000389109274 400537073 /nfs/dbraw/zinc/53/70/73/400537073.db2.gz PPMQLQPIGVKROB-OWCLPIDISA-N 1 0 266.429 2.098 10 0 CEAERO Cc1cc(C(C)C)nc(N2CC[C@H]3[NH2+]CC[C@H]3C2)n1 ZINC000389399354 400538434 /nfs/dbraw/zinc/53/84/34/400538434.db2.gz IKCZMEMBKAWMEG-QWHCGFSZSA-N 1 0 260.385 2.097 10 0 CEAERO O[C@@H]1CCC[C@@H](C[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000390814343 400542482 /nfs/dbraw/zinc/54/24/82/400542482.db2.gz GOYRIBZYKZDGRD-QZTJIDSGSA-N 1 0 288.435 2.355 10 0 CEAERO C[C@@H]1C[C@@H](O)C[N@H+](CCCOCc2ccccc2)C1 ZINC000401715640 533674983 /nfs/dbraw/zinc/67/49/83/533674983.db2.gz WKEVFBYPEPMQCB-GDBMZVCRSA-N 1 0 263.381 2.296 10 0 CEAERO CCC[C@H](C(=O)NCC1(CCOCC)CCC1)[NH+](C)C ZINC000157749828 289221044 /nfs/dbraw/zinc/22/10/44/289221044.db2.gz PQUKKVBOIMHSEL-CQSZACIVSA-N 1 0 284.444 2.430 10 0 CEAERO CCOCCCC[NH2+][C@H]1C[C@@H](OCC)C12CCOCC2 ZINC000186258530 286053913 /nfs/dbraw/zinc/05/39/13/286053913.db2.gz KWJZPOSLOUBGQU-LSDHHAIUSA-N 1 0 285.428 2.367 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]CCN(C)[C@@H](C)CC)C12CCOCC2 ZINC000249031055 286281219 /nfs/dbraw/zinc/28/12/19/286281219.db2.gz SLZBXNYFYQNUDG-ARFHVFGLSA-N 1 0 298.471 2.281 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]CCN(C)[C@H](C)CC)C12CCOCC2 ZINC000249031057 286281413 /nfs/dbraw/zinc/28/14/13/286281413.db2.gz SLZBXNYFYQNUDG-BZUAXINKSA-N 1 0 298.471 2.281 10 0 CEAERO Cc1cnn([C@H]2CCC[N@H+](CCOCC(F)F)C2)c1 ZINC000189220809 153085729 /nfs/dbraw/zinc/08/57/29/153085729.db2.gz POSPBGKJJDEFQH-LBPRGKRZSA-N 1 0 273.327 2.110 10 0 CEAERO CC[C@@](C)(O)C[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000189183768 153087761 /nfs/dbraw/zinc/08/77/61/153087761.db2.gz WSAIQUXCSSPVDV-LSDHHAIUSA-N 1 0 267.344 2.440 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCC=C(C)C ZINC000190598536 153132321 /nfs/dbraw/zinc/13/23/21/153132321.db2.gz MVBQOSXKVBQJBD-CYBMUJFWSA-N 1 0 253.390 2.078 10 0 CEAERO O[C@@H](C[N@@H+]1CC[C@H](Oc2cccnc2)C1)C1CCCCC1 ZINC000190737571 153141781 /nfs/dbraw/zinc/14/17/81/153141781.db2.gz WFMMFRGBYBOYAD-IRXDYDNUSA-N 1 0 290.407 2.476 10 0 CEAERO CCOCC[N@@H+]1CCN(C(=O)C[C@@H](C)CC)C[C@H]1CC ZINC000191869838 153193167 /nfs/dbraw/zinc/19/31/67/153193167.db2.gz ZZLMBTMRLKEXAL-LSDHHAIUSA-N 1 0 284.444 2.382 10 0 CEAERO C[C@@H]([NH2+]CC(=O)NCCC1=CCCCC1)[C@@H]1CCCO1 ZINC000193124254 153228493 /nfs/dbraw/zinc/22/84/93/153228493.db2.gz JCVZXNVKHMKTFI-HIFRSBDPSA-N 1 0 280.412 2.150 10 0 CEAERO CCCCOC[C@@H](O)CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000195178414 153276039 /nfs/dbraw/zinc/27/60/39/153276039.db2.gz RPNNFFRUTZSZSI-KRWDZBQOSA-N 1 0 298.471 2.114 10 0 CEAERO CCn1c(C)cc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1C ZINC000195075541 153277961 /nfs/dbraw/zinc/27/79/61/153277961.db2.gz IXCRTUCGPVMAQN-HNNXBMFYSA-N 1 0 289.423 2.435 10 0 CEAERO C[C@@H](Cc1cccc(F)c1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195338776 153289507 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ZINC000261582019 153773869 /nfs/dbraw/zinc/77/38/69/153773869.db2.gz NYMLAZAEJQLXHH-LLVKDONJSA-N 1 0 284.201 2.422 10 0 CEAERO O=C(CC[C@H]1CCC[NH2+]1)Nc1ccc2n[nH]cc2c1 ZINC000261586733 153779515 /nfs/dbraw/zinc/77/95/15/153779515.db2.gz JALJMOWMOXJXKD-LLVKDONJSA-N 1 0 258.325 2.034 10 0 CEAERO C[NH2+][C@@H](C)Cc1noc(/C=C/c2cnc3ccccc3n2)n1 ZINC000261752983 153829672 /nfs/dbraw/zinc/82/96/72/153829672.db2.gz LXCMCKQPQKNFNQ-AEZGRPFRSA-N 1 0 295.346 2.334 10 0 CEAERO COc1cccc(NC(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261856125 153858432 /nfs/dbraw/zinc/85/84/32/153858432.db2.gz XJFBFRXOQJEBKY-CYBMUJFWSA-N 1 0 277.368 2.286 10 0 CEAERO COC(=O)c1ccc(Cl)c(CN2CCC[C@H]2C[NH3+])c1 ZINC000261919752 153875228 /nfs/dbraw/zinc/87/52/28/153875228.db2.gz KGKQPILISOUTLJ-LBPRGKRZSA-N 1 0 282.771 2.050 10 0 CEAERO O=C(NCC1C[NH2+]C1)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000262046346 153904398 /nfs/dbraw/zinc/90/43/98/153904398.db2.gz UMQLNZNPBZKVKH-STQMWFEESA-N 1 0 298.308 2.145 10 0 CEAERO CC1(C)CN(C(=O)c2ccc(C3CC3)cn2)CC[C@H]1[NH3+] ZINC000262177275 153920038 /nfs/dbraw/zinc/92/00/38/153920038.db2.gz YYAZODYAJMRGJX-CQSZACIVSA-N 1 0 273.380 2.158 10 0 CEAERO CCc1cc(-c2nc([C@H]3C[NH2+]CCN3C)no2)sc1C ZINC000263213488 154036028 /nfs/dbraw/zinc/03/60/28/154036028.db2.gz KMNXESIBJDFGTO-LLVKDONJSA-N 1 0 292.408 2.245 10 0 CEAERO CN1CC[NH2+]C[C@@H]1c1noc([C@@H]2CCCc3ccccc32)n1 ZINC000263278641 154049300 /nfs/dbraw/zinc/04/93/00/154049300.db2.gz TWKXQGJHSSRXKK-HUUCEWRRSA-N 1 0 298.390 2.114 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+][C@@H]2CCCC[C@H]2C)C1 ZINC000263466687 154096803 /nfs/dbraw/zinc/09/68/03/154096803.db2.gz CTWOJDVEVJDUKP-BLYZHGLHSA-N 1 0 268.401 2.092 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC(NCc2ccc(F)c(C)c2)C1 ZINC000263498874 154103949 /nfs/dbraw/zinc/10/39/49/154103949.db2.gz KIZCNXPSLVQVRA-UHFFFAOYSA-N 1 0 294.370 2.161 10 0 CEAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)c1cccc(F)c1F ZINC000282484025 154161385 /nfs/dbraw/zinc/16/13/85/154161385.db2.gz XAXZMZCAPKTKLG-SBMIAAHKSA-N 1 0 268.307 2.283 10 0 CEAERO C[C@@H]1COCC[C@@H]1C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000193896490 297132804 /nfs/dbraw/zinc/13/28/04/297132804.db2.gz GSYUWDXFUUIBQT-KBMXLJTQSA-N 1 0 290.407 2.078 10 0 CEAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1CCOC1CCC1 ZINC000376535249 157241670 /nfs/dbraw/zinc/24/16/70/157241670.db2.gz YHZONMZMGSOQBT-KBPBESRZSA-N 1 0 252.402 2.114 10 0 CEAERO C[C@H](C(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21)C1C[NH2+]C1 ZINC000262307616 298112936 /nfs/dbraw/zinc/11/29/36/298112936.db2.gz BLICPTBVUPWXOW-GFQSEFKGSA-N 1 0 250.386 2.022 10 0 CEAERO C[C@@H]([NH3+])[C@@H](C)C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000134124056 286914242 /nfs/dbraw/zinc/91/42/42/286914242.db2.gz FLWQXGNYSCZAFL-LGUIWLBCSA-N 1 0 266.307 2.207 10 0 CEAERO CCCN(c1ccncc1Br)[C@@H]1CC[NH2+]C1 ZINC000159899712 162318892 /nfs/dbraw/zinc/31/88/92/162318892.db2.gz HMJFYDCOTLXIMF-SNVBAGLBSA-N 1 0 284.201 2.422 10 0 CEAERO CC(C)c1ccc(CNC(=O)[C@H](C)C2C[NH2+]C2)cc1 ZINC000164476045 162334026 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ZINC000173925763 165091581 /nfs/dbraw/zinc/09/15/81/165091581.db2.gz JITLFVQXYBJEAQ-LBPRGKRZSA-N 1 0 295.346 2.097 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cccc2c1OCCO2 ZINC000175342706 165135364 /nfs/dbraw/zinc/13/53/64/165135364.db2.gz MHSZVOMWKHFATN-OAHLLOKOSA-N 1 0 290.407 2.374 10 0 CEAERO CC(C)CCc1ccc(S(=O)(=O)NCC[C@@H](C)[NH3+])cc1 ZINC000178913288 165262592 /nfs/dbraw/zinc/26/25/92/165262592.db2.gz CMCRIGVNRZOAQO-CYBMUJFWSA-N 1 0 298.452 2.291 10 0 CEAERO CC[C@@H]1CN(Cc2cnn(C(C)C)c2)CC[N@@H+]1CCOC ZINC000179512653 165283280 /nfs/dbraw/zinc/28/32/80/165283280.db2.gz ZRJNGVXEMOLJGX-MRXNPFEDSA-N 1 0 294.443 2.007 10 0 CEAERO CCCn1cc(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)cn1 ZINC000180126919 165298878 /nfs/dbraw/zinc/29/88/78/165298878.db2.gz LARCGDFLEZWUTP-INIZCTEOSA-N 1 0 287.411 2.463 10 0 CEAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1nc2c(s1)CCCC2 ZINC000180488589 165314077 /nfs/dbraw/zinc/31/40/77/165314077.db2.gz UHJJONNRNIGMSV-VXGBXAGGSA-N 1 0 295.452 2.003 10 0 CEAERO CCc1nc2c(s1)[C@@H]([NH2+]C[C@H]1CN(C)CCO1)CCC2 ZINC000180501593 165314364 /nfs/dbraw/zinc/31/43/64/165314364.db2.gz QZMPXNSYSSLCKG-RYUDHWBXSA-N 1 0 295.452 2.003 10 0 CEAERO Cn1nccc1C1CC[NH+](CCO[C@H]2CCCCO2)CC1 ZINC000181670334 165352218 /nfs/dbraw/zinc/35/22/18/165352218.db2.gz VDRDQWBVETYOBG-INIZCTEOSA-N 1 0 293.411 2.143 10 0 CEAERO Cc1oncc1C[NH+]1CCC(c2ccnn2C)CC1 ZINC000181670212 165354113 /nfs/dbraw/zinc/35/41/13/165354113.db2.gz UBBFNRJBSVXWCP-UHFFFAOYSA-N 1 0 260.341 2.096 10 0 CEAERO CC(C)(C)OC(=O)CCCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000182181785 165366664 /nfs/dbraw/zinc/36/66/64/165366664.db2.gz RFSKEWLHNNJTIX-CQSZACIVSA-N 1 0 282.428 2.278 10 0 CEAERO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182347507 165370748 /nfs/dbraw/zinc/37/07/48/165370748.db2.gz VBHRACCHPMEUOO-FPMFFAJLSA-N 1 0 292.427 2.248 10 0 CEAERO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000300220601 298745432 /nfs/dbraw/zinc/74/54/32/298745432.db2.gz FSRQPBNICQOHMR-FDYHWXHSSA-N 1 0 298.427 2.303 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1C[C@H]1C(C)C ZINC000249361368 287223484 /nfs/dbraw/zinc/22/34/84/287223484.db2.gz SOTKZTFZYMXBFF-KBXIAJHMSA-N 1 0 264.413 2.364 10 0 CEAERO [NH3+]CCN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O ZINC000005584567 170116110 /nfs/dbraw/zinc/11/61/10/170116110.db2.gz URIPXAQDJAXNTA-HCFISPQYSA-N 1 0 274.345 2.238 10 0 CEAERO COc1ccc(F)cc1CSc1nc(N)cc(N)[nH+]1 ZINC000007692726 170297608 /nfs/dbraw/zinc/29/76/08/170297608.db2.gz UGVUUABLOBQGTB-UHFFFAOYSA-N 1 0 280.328 2.081 10 0 CEAERO [NH3+]C[C@@H](O)COc1c(Cl)cc(Cl)cc1Cl ZINC000008028991 170314865 /nfs/dbraw/zinc/31/48/65/170314865.db2.gz IYICVBVLCCFGOY-ZCFIWIBFSA-N 1 0 270.543 2.345 10 0 CEAERO [NH3+]C[C@@H](c1cccc(F)c1)S(=O)(=O)c1cccs1 ZINC000008031245 170315188 /nfs/dbraw/zinc/31/51/88/170315188.db2.gz PMILEPIDLOFELN-NSHDSACASA-N 1 0 285.365 2.361 10 0 CEAERO C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000019259127 170760989 /nfs/dbraw/zinc/76/09/89/170760989.db2.gz ZFLBKQCCIYJOGP-TXEJJXNPSA-N 1 0 282.409 2.097 10 0 CEAERO Cc1cccc(C(=O)NCC[NH+](C(C)C)C(C)C)c1N ZINC000019402470 170785732 /nfs/dbraw/zinc/78/57/32/170785732.db2.gz MVZDHHVCFSPYJS-UHFFFAOYSA-N 1 0 277.412 2.426 10 0 CEAERO CCCC[N@H+](C)CCC(=O)Nc1ccc(F)c(N)c1 ZINC000019407484 170787758 /nfs/dbraw/zinc/78/77/58/170787758.db2.gz ISBWFGIJFVRCEX-UHFFFAOYSA-N 1 0 267.348 2.468 10 0 CEAERO Cc1ccccc1CC(=O)NCC[C@@H]1CCCC[NH2+]1 ZINC000019516668 170823063 /nfs/dbraw/zinc/82/30/63/170823063.db2.gz NVZSZZVUMRYROZ-HNNXBMFYSA-N 1 0 260.381 2.186 10 0 CEAERO CN(CC[C@@H]1CCCC[NH2+]1)C(=O)Cc1ccccc1F ZINC000019843770 170891896 /nfs/dbraw/zinc/89/18/96/170891896.db2.gz ASRGJFXHRPFKRV-AWEZNQCLSA-N 1 0 278.371 2.359 10 0 CEAERO NC(=[NH2+])c1ccccc1CSc1nncs1 ZINC000019863697 170898990 /nfs/dbraw/zinc/89/89/90/170898990.db2.gz RDYLEIVDOAARHH-UHFFFAOYSA-N 1 0 250.352 2.114 10 0 CEAERO CCCCN(C)S(=O)(=O)c1cccc([C@@H](C)[NH3+])c1 ZINC000019983622 170960315 /nfs/dbraw/zinc/96/03/15/170960315.db2.gz PVWGNXPCHAWXSR-LLVKDONJSA-N 1 0 270.398 2.127 10 0 CEAERO CSCCC[NH2+]CCc1ccc2c(c1)OCCO2 ZINC000020088859 170988973 /nfs/dbraw/zinc/98/89/73/170988973.db2.gz ZLXAXHCNBLSUFY-UHFFFAOYSA-N 1 0 267.394 2.343 10 0 CEAERO [NH3+]CCN(Cc1ccccc1)C(=O)COc1ccccc1 ZINC000020183628 171046452 /nfs/dbraw/zinc/04/64/52/171046452.db2.gz ICFTZPWLJZEKOO-UHFFFAOYSA-N 1 0 284.359 2.053 10 0 CEAERO C=COCCC[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000020197484 171061751 /nfs/dbraw/zinc/06/17/51/171061751.db2.gz LUKYQPWKKXNXGD-LBPRGKRZSA-N 1 0 283.393 2.291 10 0 CEAERO [NH3+]CCOCCOc1ccc(Cl)c(Cl)c1 ZINC000020221465 171083236 /nfs/dbraw/zinc/08/32/36/171083236.db2.gz DFMVCQYLYABGDK-UHFFFAOYSA-N 1 0 250.125 2.348 10 0 CEAERO Cc1ccc(CN(C)C(=O)[C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000020264787 171121586 /nfs/dbraw/zinc/12/15/86/171121586.db2.gz CJSUVVSEQWYZNE-DZGCQCFKSA-N 1 0 260.381 2.342 10 0 CEAERO [NH3+][C@H](Cc1c[nH]cn1)c1nc2cc(Cl)ccc2[nH]1 ZINC000020374757 171170573 /nfs/dbraw/zinc/17/05/73/171170573.db2.gz WPRDJZAJVINGEW-SECBINFHSA-N 1 0 261.716 2.182 10 0 CEAERO Nc1ccc(N[C@H]2C[NH+]3CCC2CC3)c(Cl)c1 ZINC000020383820 171174298 /nfs/dbraw/zinc/17/42/98/171174298.db2.gz XOHKNCILQKHWGC-ZDUSSCGKSA-N 1 0 251.761 2.428 10 0 CEAERO O=C(Nc1cccc(Cl)c1F)[C@@H]1CCC[NH2+]C1 ZINC000020472623 171215968 /nfs/dbraw/zinc/21/59/68/171215968.db2.gz FZZUHSVFHUPKES-MRVPVSSYSA-N 1 0 256.708 2.417 10 0 CEAERO C[C@@H]([NH3+])c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000020549165 171246110 /nfs/dbraw/zinc/24/61/10/171246110.db2.gz JZAOGXGMHBNGCM-GFCCVEGCSA-N 1 0 282.409 2.271 10 0 CEAERO COc1cc([C@H]2C[C@H]2[C@@H](C)[NH3+])cc(OC)c1OC ZINC000020594453 171263656 /nfs/dbraw/zinc/26/36/56/171263656.db2.gz UBRKUULMDRJAIX-DVVUODLYSA-N 1 0 251.326 2.163 10 0 CEAERO O=C(Nc1ccc(F)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000020595475 171264177 /nfs/dbraw/zinc/26/41/77/171264177.db2.gz LQYBVGGJWOQVJT-QMMMGPOBSA-N 1 0 256.708 2.417 10 0 CEAERO CCc1oc2ccccc2c1C[NH2+]CCNC(C)=O ZINC000020936573 171281622 /nfs/dbraw/zinc/28/16/22/171281622.db2.gz VWIMCNSLZOWRHW-UHFFFAOYSA-N 1 0 260.337 2.221 10 0 CEAERO CC(C)(C)C1CCC(C(=O)N2CC[NH2+]CC2)CC1 ZINC000021952559 171340174 /nfs/dbraw/zinc/34/01/74/171340174.db2.gz LZFKOVYVSXBFBQ-UHFFFAOYSA-N 1 0 252.402 2.271 10 0 CEAERO COc1cc(N)ccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000022151507 171358720 /nfs/dbraw/zinc/35/87/20/171358720.db2.gz HHHMZFGXQIJMKG-LBPRGKRZSA-N 1 0 291.395 2.480 10 0 CEAERO Cc1cc(N)ccc1NC(=O)CCC[N@@H+]1CCO[C@@H](C)C1 ZINC000022152178 171359076 /nfs/dbraw/zinc/35/90/76/171359076.db2.gz QUZJUOODFQWCJY-ZDUSSCGKSA-N 1 0 291.395 2.017 10 0 CEAERO COc1ccc(N)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000022162330 171364701 /nfs/dbraw/zinc/36/47/01/171364701.db2.gz GXLWDNRLLGPENX-NEPJUHHUSA-N 1 0 291.395 2.336 10 0 CEAERO CC[C@@H](C)NC(=O)COc1ccc([C@@H](C)[NH3+])cc1OC ZINC000022174989 171370081 /nfs/dbraw/zinc/37/00/81/171370081.db2.gz LWCFQGFPFXLTKZ-GHMZBOCLSA-N 1 0 280.368 2.008 10 0 CEAERO C[C@@H]1CN([C@@H](C[NH3+])c2ccc(Cl)cc2)CCO1 ZINC000022209329 171372802 /nfs/dbraw/zinc/37/28/02/171372802.db2.gz VWCAGFUOIYPCHX-MFKMUULPSA-N 1 0 254.761 2.061 10 0 CEAERO CC[NH+](CC)CC(=O)Nc1nc2ccc(N)cc2s1 ZINC000022219128 171376674 /nfs/dbraw/zinc/37/66/74/171376674.db2.gz IVCLEYHHDZCWMF-UHFFFAOYSA-N 1 0 278.381 2.159 10 0 CEAERO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)Nc2ccc(F)cc2N)C1 ZINC000022218925 171376856 /nfs/dbraw/zinc/37/68/56/171376856.db2.gz LEVIQDMMAGBGPA-PHIMTYICSA-N 1 0 279.359 2.324 10 0 CEAERO [NH3+]C[C@H](O)COc1ccc2cc(Br)ccc2c1 ZINC000022222775 171379381 /nfs/dbraw/zinc/37/93/81/171379381.db2.gz KETLPGFANYBKDA-LBPRGKRZSA-N 1 0 296.164 2.301 10 0 CEAERO CCN(c1ccccc1)S(=O)(=O)c1cccc(C[NH3+])c1 ZINC000022223722 171379795 /nfs/dbraw/zinc/37/97/95/171379795.db2.gz VYQRKRSHKYYVJW-UHFFFAOYSA-N 1 0 290.388 2.361 10 0 CEAERO COc1cc(SCCF)c(OC)cc1CC[NH3+] ZINC000027302092 171512367 /nfs/dbraw/zinc/51/23/67/171512367.db2.gz ZBUUUKBTOCTOPW-UHFFFAOYSA-N 1 0 259.346 2.267 10 0 CEAERO CCOC(=O)c1cc(CC)sc1NC(=O)CCC[NH3+] ZINC000033521092 171812127 /nfs/dbraw/zinc/81/21/27/171812127.db2.gz GDFNAXDJEDAAQP-UHFFFAOYSA-N 1 0 284.381 2.165 10 0 CEAERO COC[C@H](C)[NH2+]CC(=O)Nc1cc(Cl)ccc1C ZINC000035159880 172017825 /nfs/dbraw/zinc/01/78/25/172017825.db2.gz JYUOGLCLGVHHTO-JTQLQIEISA-N 1 0 270.760 2.211 10 0 CEAERO COCCCNC1=[NH+]C[C@@H](c2ccccc2)S1 ZINC000035295267 172107297 /nfs/dbraw/zinc/10/72/97/172107297.db2.gz SIUCAQYGZGONOX-LBPRGKRZSA-N 1 0 250.367 2.457 10 0 CEAERO CCN(c1nc2sccn2c1C[NH2+]C)C1CC1 ZINC000035430072 172198231 /nfs/dbraw/zinc/19/82/31/172198231.db2.gz KIFCQUYTVQOKEP-UHFFFAOYSA-N 1 0 250.371 2.104 10 0 CEAERO COc1cccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2[NH3+])c1 ZINC000035571719 172267570 /nfs/dbraw/zinc/26/75/70/172267570.db2.gz DIPGATWUKWINFF-ZIAGYGMSSA-N 1 0 292.379 2.357 10 0 CEAERO CCNC(=O)[C@@H](C)Oc1ccc(C)cc1[C@H](C)[NH2+]C ZINC000035629514 172309543 /nfs/dbraw/zinc/30/95/43/172309543.db2.gz OGRXOXABDYEWBZ-NWDGAFQWSA-N 1 0 264.369 2.179 10 0 CEAERO C[C@H](O)c1cc(F)ccc1N(C)C1CC[NH+](C)CC1 ZINC000035631319 172313871 /nfs/dbraw/zinc/31/38/71/172313871.db2.gz MORKMAYTGNTJIN-NSHDSACASA-N 1 0 266.360 2.409 10 0 CEAERO CCCCNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C)c1 ZINC000035633201 172315972 /nfs/dbraw/zinc/31/59/72/172315972.db2.gz RLVOKDOVENWRNP-LLVKDONJSA-N 1 0 270.398 2.045 10 0 CEAERO CCC[NH2+][C@H](C)c1cccc(S(=O)(=O)NCC)c1 ZINC000035632942 172316050 /nfs/dbraw/zinc/31/60/50/172316050.db2.gz GCNZSNDUDHMGCO-LLVKDONJSA-N 1 0 270.398 2.045 10 0 CEAERO CCCS(=O)(=O)Nc1cccc([C@@H](C)[NH2+]C)c1 ZINC000035644630 172322061 /nfs/dbraw/zinc/32/20/61/172322061.db2.gz YPNMUFZOMSDVRW-SNVBAGLBSA-N 1 0 256.371 2.119 10 0 CEAERO C[C@@H]([NH2+]C1CCS(=O)(=O)CC1)c1ccc(F)cc1 ZINC000035652250 172328870 /nfs/dbraw/zinc/32/88/70/172328870.db2.gz JOHJFNJHKCFHQA-SNVBAGLBSA-N 1 0 271.357 2.054 10 0 CEAERO [NH3+]Cc1cc(Cl)cc(Cl)c1OCC(=O)NC1CC1 ZINC000035661844 172339735 /nfs/dbraw/zinc/33/97/35/172339735.db2.gz LUARXOCZYZKMHN-UHFFFAOYSA-N 1 0 289.162 2.110 10 0 CEAERO CC[C@@H]1CC[C@@H](C[NH3+])[C@H](Sc2nncn2C)C1 ZINC000035724124 172379482 /nfs/dbraw/zinc/37/94/82/172379482.db2.gz XUQAKKCGXZTJBO-OUAUKWLOSA-N 1 0 254.403 2.061 10 0 CEAERO C[C@H](NC(=O)[C@H]([NH3+])Cc1ccccc1)c1ccco1 ZINC000035738318 172392005 /nfs/dbraw/zinc/39/20/05/172392005.db2.gz HBGVXURSXVGERL-WCQYABFASA-N 1 0 258.321 2.027 10 0 CEAERO C[NH2+][C@H]1CCCS(=O)(=O)c2c(Cl)cccc21 ZINC000035761222 172399447 /nfs/dbraw/zinc/39/94/47/172399447.db2.gz FYEIHYXEGQDZLN-JTQLQIEISA-N 1 0 259.758 2.168 10 0 CEAERO COc1ccc([C@H](O)[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000036768834 172686560 /nfs/dbraw/zinc/68/65/60/172686560.db2.gz WKLWFJQUZGPKFG-NOZJJQNGSA-N 1 0 255.745 2.382 10 0 CEAERO C[NH2+]Cc1nc(-c2ccccc2OC(F)F)c[nH]1 ZINC000036877330 172773545 /nfs/dbraw/zinc/77/35/45/172773545.db2.gz WOBGFPKKQFEKMS-UHFFFAOYSA-N 1 0 253.252 2.398 10 0 CEAERO CC[NH+]1CCC(Nc2ccccc2C(=O)OC)CC1 ZINC000036891417 172784393 /nfs/dbraw/zinc/78/43/93/172784393.db2.gz BJFORIWOHVNASM-UHFFFAOYSA-N 1 0 262.353 2.369 10 0 CEAERO COc1cc(CSCC[NH3+])ccc1OC(F)F ZINC000037035559 172903547 /nfs/dbraw/zinc/90/35/47/172903547.db2.gz MWRAETVNSAVWCR-UHFFFAOYSA-N 1 0 263.309 2.489 10 0 CEAERO CC[C@H](C)CN(C)S(=O)(=O)c1cccc([C@@H](C)[NH3+])c1 ZINC000037173955 173007409 /nfs/dbraw/zinc/00/74/09/173007409.db2.gz CGOXFNRGTHNXNY-NWDGAFQWSA-N 1 0 284.425 2.373 10 0 CEAERO CC[C@@H](C)CN(C)S(=O)(=O)c1cccc([C@@H](C)[NH3+])c1 ZINC000037173954 173007994 /nfs/dbraw/zinc/00/79/94/173007994.db2.gz CGOXFNRGTHNXNY-VXGBXAGGSA-N 1 0 284.425 2.373 10 0 CEAERO [NH3+]CC[C@@H](OCCCc1ccncc1)C(F)(F)F ZINC000037179491 173013133 /nfs/dbraw/zinc/01/31/33/173013133.db2.gz GBCPONNLLHGLNF-LLVKDONJSA-N 1 0 262.275 2.311 10 0 CEAERO CNC(=O)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000037207595 173028324 /nfs/dbraw/zinc/02/83/24/173028324.db2.gz NGQLQKFXQGWUKT-SSDOTTSWSA-N 1 0 261.152 2.390 10 0 CEAERO C[C@@H](CO)[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000037258740 173069329 /nfs/dbraw/zinc/06/93/29/173069329.db2.gz NFLRNKHZPHHOET-KWQFWETISA-N 1 0 286.169 2.243 10 0 CEAERO COc1ccccc1N(CCC[NH3+])C(=O)[C@H]1C[C@H]1C ZINC000037298177 173101983 /nfs/dbraw/zinc/10/19/83/173101983.db2.gz IOCVKVFPTYRTJK-NEPJUHHUSA-N 1 0 262.353 2.033 10 0 CEAERO [NH3+]CCCN(C(=O)Cc1ccccc1)C1CCCC1 ZINC000037299111 173103382 /nfs/dbraw/zinc/10/33/82/173103382.db2.gz YXJIFHSNCSJAII-UHFFFAOYSA-N 1 0 260.381 2.349 10 0 CEAERO CO[C@@H]1C[NH2+][C@@H](c2nc3ccccc3n2C2CC2)C1 ZINC000037323690 173124578 /nfs/dbraw/zinc/12/45/78/173124578.db2.gz YWKGLTGAOPARSE-WCQYABFASA-N 1 0 257.337 2.421 10 0 CEAERO CCOC(=O)C[C@@H]([NH3+])c1cc(Cl)c2c(c1)OCCO2 ZINC000037324541 173125015 /nfs/dbraw/zinc/12/50/15/173125015.db2.gz AAUIMUSYNRAGFB-SNVBAGLBSA-N 1 0 285.727 2.064 10 0 CEAERO C[C@H]1CCCCN1[C@@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000037325590 173126635 /nfs/dbraw/zinc/12/66/35/173126635.db2.gz HSUDDVJAFWAZEB-AAEUAGOBSA-N 1 0 262.353 2.290 10 0 CEAERO O=C(c1cc2c(cc1Cl)OCCO2)C1CC[NH2+]CC1 ZINC000037332048 173133616 /nfs/dbraw/zinc/13/36/16/173133616.db2.gz SGEBDKZZMXPMAX-UHFFFAOYSA-N 1 0 281.739 2.294 10 0 CEAERO C[C@@H](C1CC1)[N@H+](C)CC(=O)c1ccc2c(c1)OCO2 ZINC000037338698 173139462 /nfs/dbraw/zinc/13/94/62/173139462.db2.gz UXKRJAVBYFTGNG-JTQLQIEISA-N 1 0 261.321 2.328 10 0 CEAERO CC(C)[NH2+]CC(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000037394758 173175560 /nfs/dbraw/zinc/17/55/60/173175560.db2.gz TZLHAFHNYNBKMA-SECBINFHSA-N 1 0 256.296 2.140 10 0 CEAERO COc1cc(C[NH2+]C(C)(C)C)cc2c1OCCO2 ZINC000037405013 173180638 /nfs/dbraw/zinc/18/06/38/173180638.db2.gz NROLOVFXTUFVRH-UHFFFAOYSA-N 1 0 251.326 2.355 10 0 CEAERO COc1cc(C[NH2+][C@@H](C)[C@H]2CCCO2)cc2c1OCCO2 ZINC000037408438 173185334 /nfs/dbraw/zinc/18/53/34/173185334.db2.gz AEBAYTIAMJWCIG-WCQYABFASA-N 1 0 293.363 2.124 10 0 CEAERO CSCc1ccc(C[NH2+][C@H]2CN3CCC2CC3)o1 ZINC000037414526 173191280 /nfs/dbraw/zinc/19/12/80/173191280.db2.gz CLQXHBLOSHFEMA-AWEZNQCLSA-N 1 0 266.410 2.326 10 0 CEAERO CC[C@@H]([NH2+]CCCC(=O)OC)c1ccc(O)cc1 ZINC000037416217 173193159 /nfs/dbraw/zinc/19/31/59/173193159.db2.gz CUOXTDVEYOGMMY-CYBMUJFWSA-N 1 0 251.326 2.386 10 0 CEAERO CSc1ccc(CN(C)C(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000037497850 173236534 /nfs/dbraw/zinc/23/65/34/173236534.db2.gz NGEZGJVOUBTSCS-ZDUSSCGKSA-N 1 0 264.394 2.119 10 0 CEAERO C[C@@H]([NH2+]C(C1CC1)C1CC1)C(=O)N1CCCCC1 ZINC000037497652 173236584 /nfs/dbraw/zinc/23/65/84/173236584.db2.gz MPDVOLYELALNBA-LLVKDONJSA-N 1 0 250.386 2.166 10 0 CEAERO CC[C@@]([NH2+]C1CC1)(C(N)=O)c1ccc(Br)cc1 ZINC000037514576 173245929 /nfs/dbraw/zinc/24/59/29/173245929.db2.gz JUQLKPOVJNEREA-ZDUSSCGKSA-N 1 0 297.196 2.292 10 0 CEAERO CC[NH2+]C1CCN(C(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000037536561 173255014 /nfs/dbraw/zinc/25/50/14/173255014.db2.gz RXBGKOPDQFDGFR-BFHYXJOUSA-N 1 0 264.413 2.413 10 0 CEAERO CC(C)(C)[C@H]1CCCC[C@@]1([NH2+]CC1CC1)C(N)=O ZINC000038000874 173963024 /nfs/dbraw/zinc/96/30/24/173963024.db2.gz LBIRLJRVKLWOMY-DOMZBBRYSA-N 1 0 252.402 2.446 10 0 CEAERO Cc1cc(C)cc(OC[C@H](O)C[NH2+]C[C@@H]2CCCOC2)c1 ZINC000038045316 174053473 /nfs/dbraw/zinc/05/34/73/174053473.db2.gz NHCNECIZBBXTPB-JKSUJKDBSA-N 1 0 293.407 2.059 10 0 CEAERO O[C@@H](C[NH2+]C[C@H]1CCCOC1)COc1ccccc1Cl ZINC000038045355 174054049 /nfs/dbraw/zinc/05/40/49/174054049.db2.gz OXKOGQSPZAIEIW-OLZOCXBDSA-N 1 0 299.798 2.096 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)c1cccc(Br)c1 ZINC000038048697 174059432 /nfs/dbraw/zinc/05/94/32/174059432.db2.gz ZXMRIGVXASKVAK-RYUDHWBXSA-N 1 0 297.196 2.449 10 0 CEAERO CC[C@H](C)[NH2+][C@]1(C(N)=O)CCCCc2ccccc21 ZINC000038065341 174075970 /nfs/dbraw/zinc/07/59/70/174075970.db2.gz VEASFQJGCJOAAP-BLLLJJGKSA-N 1 0 260.381 2.482 10 0 CEAERO CCOc1ccccc1[C@](C)([NH2+][C@@H](C)CC)C(N)=O ZINC000038065585 174077023 /nfs/dbraw/zinc/07/70/23/174077023.db2.gz UPFQYDLVOXVWDJ-NHYWBVRUSA-N 1 0 264.369 2.174 10 0 CEAERO CC[C@@H](C)[NH2+][C@](C)(C(N)=O)c1ccc(SC)cc1 ZINC000038065768 174077079 /nfs/dbraw/zinc/07/70/79/174077079.db2.gz WNBBLNVSOWAEHF-YGRLFVJLSA-N 1 0 266.410 2.497 10 0 CEAERO C[C@H](NC(=O)Nc1cccc(F)c1)[C@@H]1CCCC[NH2+]1 ZINC000038076437 174087113 /nfs/dbraw/zinc/08/71/13/174087113.db2.gz PBBYVLSRXGPXID-GWCFXTLKSA-N 1 0 265.332 2.478 10 0 CEAERO CC(C)[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1cccs1 ZINC000038083430 174092782 /nfs/dbraw/zinc/09/27/82/174092782.db2.gz YFRLEHGDQXYXNC-YPMHNXCESA-N 1 0 287.450 2.470 10 0 CEAERO CC(C)c1ccc([C@H](O)C[NH2+]C[C@@H]2CCOC2)cc1 ZINC000038094619 174108073 /nfs/dbraw/zinc/10/80/73/174108073.db2.gz BCKXQPLPYSPDFL-XJKSGUPXSA-N 1 0 263.381 2.470 10 0 CEAERO COCCCn1c2ccccc2nc1[C@H]1CCC[NH2+]1 ZINC000040163814 174196934 /nfs/dbraw/zinc/19/69/34/174196934.db2.gz INTACBNXMVMUNB-CYBMUJFWSA-N 1 0 259.353 2.497 10 0 CEAERO C[C@H]([NH2+][C@@H](C)[C@H]1C[C@@H]2CC[C@H]1C2)C(=O)NC1CC1 ZINC000040176550 174201811 /nfs/dbraw/zinc/20/18/11/174201811.db2.gz IQDMBUXPNLTTQD-BYNIDDHOSA-N 1 0 250.386 2.068 10 0 CEAERO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000040487170 174289589 /nfs/dbraw/zinc/28/95/89/174289589.db2.gz TZOCAAHXYJURCT-SYQHCUMBSA-N 1 0 252.402 2.399 10 0 CEAERO COC(=O)C[C@H](C)[NH2+][C@H](C)COc1ccc(C)cc1 ZINC000040499736 174296597 /nfs/dbraw/zinc/29/65/97/174296597.db2.gz XGKHRIXCUMBWAQ-QWHCGFSZSA-N 1 0 265.353 2.304 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(Cl)ccc2N)C1 ZINC000040501647 174298070 /nfs/dbraw/zinc/29/80/70/174298070.db2.gz YSNFOPCPJRQNRC-LLVKDONJSA-N 1 0 281.787 2.136 10 0 CEAERO Cc1nc(C)c([C@H](C)NC(=O)CC[NH2+]C2CC2)s1 ZINC000040519115 174308465 /nfs/dbraw/zinc/30/84/65/174308465.db2.gz SKAWGRXSJHWWRR-VIFPVBQESA-N 1 0 267.398 2.079 10 0 CEAERO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccc3sccc3c2)C1 ZINC000040632975 174359425 /nfs/dbraw/zinc/35/94/25/174359425.db2.gz RKTAQBCJBVYQHT-NWDGAFQWSA-N 1 0 276.361 2.217 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](C(=O)N(CCC(C)C)CCC(C)C)C1 ZINC000040635065 174360906 /nfs/dbraw/zinc/36/09/06/174360906.db2.gz FNDCHVODTWKEGF-GJZGRUSLSA-N 1 0 284.444 2.284 10 0 CEAERO CO[C@H]1C[NH2+][C@H](CN2CCC(Cc3ccccc3)CC2)C1 ZINC000040637449 174361938 /nfs/dbraw/zinc/36/19/38/174361938.db2.gz QOVUDVWCJGCRPM-ZWKOTPCHSA-N 1 0 288.435 2.318 10 0 CEAERO CO[C@@H]1C[NH2+][C@@H](c2nc(-c3ccccc3F)c[nH]2)C1 ZINC000040637840 174362046 /nfs/dbraw/zinc/36/20/46/174362046.db2.gz ZQBUPBPVLQZIIB-JOYOIKCWSA-N 1 0 261.300 2.265 10 0 CEAERO COc1ccc(-c2c[nH]c([C@H]3C[C@H](OC)C[NH2+]3)n2)cc1 ZINC000040637884 174362089 /nfs/dbraw/zinc/36/20/89/174362089.db2.gz ZZXGEUULKASWIA-QWHCGFSZSA-N 1 0 273.336 2.135 10 0 CEAERO COC(=O)CCC[NH2+]C[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC000040669228 174368012 /nfs/dbraw/zinc/36/80/12/174368012.db2.gz DZQKXNUTBWKNDQ-HIFRSBDPSA-N 1 0 270.417 2.040 10 0 CEAERO C[C@@H]1CCC[C@@](CNc2ncccc2C(N)=O)([NH+](C)C)C1 ZINC000040670197 174368415 /nfs/dbraw/zinc/36/84/15/174368415.db2.gz AZHTYSIOFZMFTR-MLGOLLRUSA-N 1 0 290.411 2.103 10 0 CEAERO [NH3+]Cc1c(Oc2ccc(CO)cc2)nc2ccccn21 ZINC000040711266 174381016 /nfs/dbraw/zinc/38/10/16/174381016.db2.gz XXESXOBDIQYHCK-UHFFFAOYSA-N 1 0 269.304 2.078 10 0 CEAERO C[C@@H]1C[C@@H](C(=O)N[C@@H]2CCC[N@H+](C)C2)c2ccccc2N1 ZINC000040716166 174383683 /nfs/dbraw/zinc/38/36/83/174383683.db2.gz QDFBSUZOWGKCKO-UMVBOHGHSA-N 1 0 287.407 2.185 10 0 CEAERO Cc1cc(N)ccc1NC(=O)CC[N@H+]1CC[C@H](C)C1 ZINC000040716866 174384347 /nfs/dbraw/zinc/38/43/47/174384347.db2.gz RJIRFRZEOUYIQY-NSHDSACASA-N 1 0 261.369 2.248 10 0 CEAERO Cc1c(N)cccc1NC(=O)CC[N@H+]1CC[C@H](C)C1 ZINC000040716904 174384555 /nfs/dbraw/zinc/38/45/55/174384555.db2.gz ODFWBIIIWMUJNQ-NSHDSACASA-N 1 0 261.369 2.248 10 0 CEAERO CCN(C(=O)CCc1ccco1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747743 174392561 /nfs/dbraw/zinc/39/25/61/174392561.db2.gz LCMLQKSEOHHYGZ-PBWFPOADSA-N 1 0 276.380 2.344 10 0 CEAERO CCN(c1cc(C)nc(C)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748741 174394026 /nfs/dbraw/zinc/39/40/26/174394026.db2.gz ZFHRECXRZJOLQW-PBWFPOADSA-N 1 0 260.385 2.203 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2ccccc2[nH]1 ZINC000040749514 174394441 /nfs/dbraw/zinc/39/44/41/174394441.db2.gz NGJQJCLJMWUPLR-YHWZYXNKSA-N 1 0 269.348 2.262 10 0 CEAERO CCc1ccc(NC(=O)CN2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040750265 174394946 /nfs/dbraw/zinc/39/49/46/174394946.db2.gz XQXFOKJHAXYDLQ-VHRNVKJDSA-N 1 0 287.407 2.142 10 0 CEAERO Cc1ccc(Sc2nc[nH+]c(NN(C)C)c2N)cc1 ZINC000040759986 174396770 /nfs/dbraw/zinc/39/67/70/174396770.db2.gz JCRGDHYPNLDNOG-UHFFFAOYSA-N 1 0 275.381 2.407 10 0 CEAERO CCCc1cc(NCC(C)(C)C[NH+](C)C)ncn1 ZINC000040765546 174397609 /nfs/dbraw/zinc/39/76/09/174397609.db2.gz IXQHKVHQYUIHGH-UHFFFAOYSA-N 1 0 250.390 2.429 10 0 CEAERO COC(=O)c1c(C)c(C)sc1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000040852682 174421336 /nfs/dbraw/zinc/42/13/36/174421336.db2.gz FEHCBGJZSNAINI-JTQLQIEISA-N 1 0 296.392 2.090 10 0 CEAERO CC(=O)c1ccc(NC(=O)C2CCC([NH3+])CC2)cc1 ZINC000040854198 174422216 /nfs/dbraw/zinc/42/22/16/174422216.db2.gz WSADGGKJUHPBMT-UHFFFAOYSA-N 1 0 260.337 2.345 10 0 CEAERO CCOC(=O)c1cccc(NC(=O)[C@@H]([NH3+])C(C)(C)C)c1 ZINC000040855475 174422959 /nfs/dbraw/zinc/42/29/59/174422959.db2.gz SYGMPLWVLSPREV-GFCCVEGCSA-N 1 0 278.352 2.175 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccc(OC)cc1OCCOC ZINC000040905292 174430506 /nfs/dbraw/zinc/43/05/06/174430506.db2.gz YTKZHRRWYKDNNL-GFCCVEGCSA-N 1 0 253.342 2.000 10 0 CEAERO COc1ccc(C[C@@H](C)[NH3+])c(OCc2cc(C)no2)c1 ZINC000040905129 174430532 /nfs/dbraw/zinc/43/05/32/174430532.db2.gz XFXPHQGCSSWUEG-SNVBAGLBSA-N 1 0 276.336 2.460 10 0 CEAERO CC[C@@H]1CN(c2nc(C)cc(C(C)C)n2)CC[C@@H]1[NH3+] ZINC000122598793 414788811 /nfs/dbraw/zinc/78/88/11/414788811.db2.gz MKIWKAMFZUDBPT-OLZOCXBDSA-N 1 0 262.401 2.472 10 0 CEAERO [NH3+][C@H]1CCCN(Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000041029477 174454243 /nfs/dbraw/zinc/45/42/43/174454243.db2.gz MGRQEROMAOTCNO-JTQLQIEISA-N 1 0 292.770 2.313 10 0 CEAERO CC1CCC([NH3+])(c2nc(-c3ccncc3)no2)CC1 ZINC000041033415 174456552 /nfs/dbraw/zinc/45/65/52/174456552.db2.gz FCEXLKCPPJRUSP-UHFFFAOYSA-N 1 0 258.325 2.496 10 0 CEAERO CCCN(Cc1ccc(C)cc1)C(=O)[C@@H]1CC[NH2+]C1 ZINC000062114569 414760554 /nfs/dbraw/zinc/76/05/54/414760554.db2.gz GGPVCWCHFWWTJV-OAHLLOKOSA-N 1 0 260.381 2.343 10 0 CEAERO [NH3+][C@H]1CCC[C@H](C(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000070573520 414772281 /nfs/dbraw/zinc/77/22/81/414772281.db2.gz LUIQKHYWKOAODB-RYUDHWBXSA-N 1 0 290.363 2.304 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)N1CCC(C2CCC2)CC1 ZINC000662856969 414776490 /nfs/dbraw/zinc/77/64/90/414776490.db2.gz AAKGXXNCMDHOPZ-CABCVRRESA-N 1 0 264.413 2.400 10 0 CEAERO COc1ccc(NCC[NH+]2CCCC2)cc1OC ZINC000041306919 174515915 /nfs/dbraw/zinc/51/59/15/174515915.db2.gz HXTXZBRJXUFYIM-UHFFFAOYSA-N 1 0 250.342 2.212 10 0 CEAERO CC(NC(=O)C[C@H]1CCC[NH2+]C1)(C1CC1)C1CC1 ZINC000662916239 414801204 /nfs/dbraw/zinc/80/12/04/414801204.db2.gz WLFUNRQBEVTTNB-LLVKDONJSA-N 1 0 250.386 2.071 10 0 CEAERO CN(C(=O)CCc1cccs1)[C@H](C[NH3+])C(F)(F)F ZINC000662977951 414816238 /nfs/dbraw/zinc/81/62/38/414816238.db2.gz MYXVMGQSGLXEKA-SECBINFHSA-N 1 0 280.315 2.029 10 0 CEAERO C[C@@H]1CCC[C@H](C(=O)N(C)[C@H](C[NH3+])C(F)(F)F)C1 ZINC000662976515 414816638 /nfs/dbraw/zinc/81/66/38/414816638.db2.gz GALUPSVXRPPYSH-KXUCPTDWSA-N 1 0 266.307 2.161 10 0 CEAERO CN(C(=O)C1CCCCCC1)[C@@H](C[NH3+])C(F)(F)F ZINC000662978430 414816762 /nfs/dbraw/zinc/81/67/62/414816762.db2.gz PKSQORLAKMCYJR-JTQLQIEISA-N 1 0 266.307 2.305 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)c1cc(C)ccc1Br ZINC000304242972 414849691 /nfs/dbraw/zinc/84/96/91/414849691.db2.gz DRGDSCWWPOAPNH-SECBINFHSA-N 1 0 285.185 2.095 10 0 CEAERO CC[C@@]1(C)CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653099253 414906868 /nfs/dbraw/zinc/90/68/68/414906868.db2.gz JZCQDKXCRMEBLG-FOGDFJRCSA-N 1 0 278.318 2.033 10 0 CEAERO C[C@H]1CCCCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653157918 414927853 /nfs/dbraw/zinc/92/78/53/414927853.db2.gz QIEZDIHZBFWNFV-HBNTYKKESA-N 1 0 278.318 2.033 10 0 CEAERO CCCCCC[C@@H](C)[NH2+]C[C@H](O)COCCOCC ZINC000042258544 174668086 /nfs/dbraw/zinc/66/80/86/174668086.db2.gz ONVWENPKHKRNTN-CABCVRRESA-N 1 0 275.433 2.349 10 0 CEAERO CCCc1nccnc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000663396496 414940438 /nfs/dbraw/zinc/94/04/38/414940438.db2.gz CGJQPHXRFUCLOM-QWHCGFSZSA-N 1 0 260.385 2.468 10 0 CEAERO C[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)c1cccs1 ZINC000653059994 414891928 /nfs/dbraw/zinc/89/19/28/414891928.db2.gz UUTBUQBWWNTJKP-DJLDLDEBSA-N 1 0 292.326 2.323 10 0 CEAERO Cc1ccnc(NCC23CC(C2)C[NH2+]3)c1Br ZINC000663273718 414900591 /nfs/dbraw/zinc/90/05/91/414900591.db2.gz GHHRCCHBEXMYDH-UHFFFAOYSA-N 1 0 282.185 2.316 10 0 CEAERO CC(C)[C@H]([NH3+])CCNc1nnc(C(F)(F)F)s1 ZINC000663275039 414901381 /nfs/dbraw/zinc/90/13/81/414901381.db2.gz ALYDEABZTSPVBJ-ZCFIWIBFSA-N 1 0 268.308 2.342 10 0 CEAERO CCS(=O)(=O)c1ccccc1NCC[C@@H]([NH3+])C(C)C ZINC000663275949 414901822 /nfs/dbraw/zinc/90/18/22/414901822.db2.gz HLTLPYBNGYOXBE-GFCCVEGCSA-N 1 0 284.425 2.266 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccc(F)cc1)N1CCOCC1(C)C ZINC000042915083 174913474 /nfs/dbraw/zinc/91/34/74/174913474.db2.gz FLLQMVLOFXFEEX-BXUZGUMPSA-N 1 0 266.360 2.325 10 0 CEAERO C[C@H]([NH3+])[C@H](c1ccc(Cl)cc1)N1CCC(CO)CC1 ZINC000042944739 174919728 /nfs/dbraw/zinc/91/97/28/174919728.db2.gz CTTWGUJYHFKUGH-XHDPSFHLSA-N 1 0 282.815 2.433 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccccc1F)N(C)CCOC ZINC000043044621 174956170 /nfs/dbraw/zinc/95/61/70/174956170.db2.gz SFVOFBQWVYBLOL-KGLIPLIRSA-N 1 0 254.349 2.182 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1nc(N)cc(N)n1)c1cccs1 ZINC000043114734 174974937 /nfs/dbraw/zinc/97/49/37/174974937.db2.gz GLJHGSJVBAZQRP-WRWORJQWSA-N 1 0 295.437 2.273 10 0 CEAERO [NH3+]C[C@@H](Sc1nccc(=O)[nH]1)c1ccsc1 ZINC000043126153 174978085 /nfs/dbraw/zinc/97/80/85/174978085.db2.gz PGRIDHZFZZJFMT-MRVPVSSYSA-N 1 0 253.352 2.036 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1cnn(C)c1)N1CCC[C@@H]1c1cccnc1 ZINC000043127602 174978954 /nfs/dbraw/zinc/97/89/54/174978954.db2.gz LJELBJDOXPEWRX-WQVCFCJDSA-N 1 0 285.395 2.041 10 0 CEAERO CCc1ccc(O[C@@H](c2cnn(C)c2)[C@@H](C)[NH3+])cc1 ZINC000043233559 174986408 /nfs/dbraw/zinc/98/64/08/174986408.db2.gz HBFJDAUXCHGPPR-IAQYHMDHSA-N 1 0 259.353 2.450 10 0 CEAERO C[C@@H]([NH3+])[C@H](OCCc1cccs1)c1cnn(C)c1 ZINC000043236831 174987693 /nfs/dbraw/zinc/98/76/93/174987693.db2.gz BPDNVVOHZNPOMC-MFKMUULPSA-N 1 0 265.382 2.129 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1sccc1C)N1CCOCC1 ZINC000043247132 174991309 /nfs/dbraw/zinc/99/13/09/174991309.db2.gz FRGIHMWWLAEYLF-NEPJUHHUSA-N 1 0 254.399 2.167 10 0 CEAERO CCN(CC(=O)NC(C)C)[C@H](c1sccc1C)[C@@H](C)[NH3+] ZINC000043248655 174992913 /nfs/dbraw/zinc/99/29/13/174992913.db2.gz ABYILZWKFQJRFU-OCCSQVGLSA-N 1 0 297.468 2.291 10 0 CEAERO C[C@@H]([NH3+])[C@H](Oc1cccc(S(C)(=O)=O)c1)C(C)(C)C ZINC000043297195 174999032 /nfs/dbraw/zinc/99/90/32/174999032.db2.gz BZJJLFQVXFAINP-MFKMUULPSA-N 1 0 285.409 2.231 10 0 CEAERO [NH3+][C@H](c1ccccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000043299904 175000262 /nfs/dbraw/zinc/00/02/62/175000262.db2.gz PSMBNAWYTCOPES-KWQFWETISA-N 1 0 293.310 2.140 10 0 CEAERO C[NH2+][C@@H](c1cccc(OC(C)C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043300719 175001630 /nfs/dbraw/zinc/00/16/30/175001630.db2.gz RXYVSPWKPFBJOG-ZFWWWQNUSA-N 1 0 297.420 2.169 10 0 CEAERO Cc1cccc([C@@H](C[NH3+])N2CCOCC2(C)C)c1C ZINC000043314835 175004574 /nfs/dbraw/zinc/00/45/74/175004574.db2.gz VQSHSLFIEGYUTQ-OAHLLOKOSA-N 1 0 262.397 2.414 10 0 CEAERO Cc1c(F)cccc1NS(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000043321554 175006072 /nfs/dbraw/zinc/00/60/72/175006072.db2.gz TXWNWMPCVYQLOT-UHFFFAOYSA-N 1 0 294.351 2.394 10 0 CEAERO CCN(CC)CC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000043324185 175006410 /nfs/dbraw/zinc/00/64/10/175006410.db2.gz OVWOFADGIWWFIE-AWEZNQCLSA-N 1 0 299.459 2.317 10 0 CEAERO Clc1ccc(-n2cncn2)c(N[C@@H]2CCC[NH2+]C2)c1 ZINC000043325956 175007662 /nfs/dbraw/zinc/00/76/62/175007662.db2.gz BTHNQIIXRXVEHT-LLVKDONJSA-N 1 0 277.759 2.085 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccco1)N1CCO[C@@H](CC)C1 ZINC000043334871 175010609 /nfs/dbraw/zinc/01/06/09/175010609.db2.gz OLRUHBMLXIZOHK-OUCADQQQSA-N 1 0 252.358 2.169 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1ccco1)N(C)CCc1ccncc1 ZINC000043335414 175011178 /nfs/dbraw/zinc/01/11/78/175011178.db2.gz HBDIFGLPRKUKLH-DOMZBBRYSA-N 1 0 259.353 2.237 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccco1)N1CCOC(C)(C)C1 ZINC000043335312 175011448 /nfs/dbraw/zinc/01/14/48/175011448.db2.gz MASJFWGIAUTZLC-YPMHNXCESA-N 1 0 252.358 2.169 10 0 CEAERO C[C@H]([NH3+])[C@H](Oc1ccc(S(C)(=O)=O)cc1)c1ccco1 ZINC000043337839 175012683 /nfs/dbraw/zinc/01/26/83/175012683.db2.gz JUYAUPTXLIQEHN-HZMBPMFUSA-N 1 0 295.360 2.150 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1n[nH]c(C)n1)c1ccco1 ZINC000043338666 175013212 /nfs/dbraw/zinc/01/32/12/175013212.db2.gz HSAZMBIVGYBTIA-SCZZXKLOSA-N 1 0 252.343 2.277 10 0 CEAERO CCOC(=O)CS[C@@H](c1ccco1)[C@H]([NH3+])CC ZINC000043338548 175013444 /nfs/dbraw/zinc/01/34/44/175013444.db2.gz JEDPTFVHYSIKPW-BXKDBHETSA-N 1 0 257.355 2.354 10 0 CEAERO Cc1ncsc1CCO[C@H](c1ccccn1)[C@H](C)[NH3+] ZINC000043342942 175015624 /nfs/dbraw/zinc/01/56/24/175015624.db2.gz KYUAMFSHDCVISJ-HZMBPMFUSA-N 1 0 277.393 2.494 10 0 CEAERO CC(=O)Nc1ccccc1O[C@H](C[NH3+])c1ccccn1 ZINC000043342508 175015993 /nfs/dbraw/zinc/01/59/93/175015993.db2.gz NCPJWRNTOOLUAK-OAHLLOKOSA-N 1 0 271.320 2.119 10 0 CEAERO CC[C@H]([NH3+])[C@@H](OCCOC(C)C)c1ccccn1 ZINC000043342850 175016009 /nfs/dbraw/zinc/01/60/09/175016009.db2.gz FGJJNCOBGCJNAC-GXTWGEPZSA-N 1 0 252.358 2.302 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1cccnc1)n1cc(Cl)cn1 ZINC000043348906 175019134 /nfs/dbraw/zinc/01/91/34/175019134.db2.gz IAYPSJSMSKJBDN-VXGBXAGGSA-N 1 0 250.733 2.258 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cccnc1)n1cc(Br)cn1 ZINC000043348930 175019440 /nfs/dbraw/zinc/01/94/40/175019440.db2.gz ZZVOMHDXRCXQOU-NEPJUHHUSA-N 1 0 295.184 2.367 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Oc1ccc(C(N)=O)cc1)c1cccnc1 ZINC000043350667 175019625 /nfs/dbraw/zinc/01/96/25/175019625.db2.gz NODDCEJUHOKNTO-GJZGRUSLSA-N 1 0 285.347 2.038 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Oc1ccc(CO)cc1)c1cccnc1 ZINC000043351434 175019659 /nfs/dbraw/zinc/01/96/59/175019659.db2.gz TWHVWIOJEVVUEL-HZPDHXFCSA-N 1 0 272.348 2.431 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1cnn(C)c1)c1cccnc1 ZINC000043352859 175020348 /nfs/dbraw/zinc/02/03/48/175020348.db2.gz HNCOLIDBAYEDTA-OLZOCXBDSA-N 1 0 262.382 2.386 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](SCCC(=O)OC)c1cccnc1 ZINC000043352603 175020482 /nfs/dbraw/zinc/02/04/82/175020482.db2.gz XANQUEDFFSMBNQ-YPMHNXCESA-N 1 0 268.382 2.156 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccncc1)N(C)Cc1ccncc1 ZINC000043353499 175020813 /nfs/dbraw/zinc/02/08/13/175020813.db2.gz ZQGLXKZKDWWZCZ-CVEARBPZSA-N 1 0 270.380 2.387 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccncc1)N(C)CCc1ccncc1 ZINC000043353859 175020823 /nfs/dbraw/zinc/02/08/23/175020823.db2.gz JUMIUHHLGQIDCC-IRXDYDNUSA-N 1 0 284.407 2.430 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccncc1)N1CCCSCC1 ZINC000043354051 175021455 /nfs/dbraw/zinc/02/14/55/175021455.db2.gz LZKZKXZPHOYILT-UONOGXRCSA-N 1 0 265.426 2.299 10 0 CEAERO [NH3+]C[C@H](OCCOc1ccccc1)c1ccncc1 ZINC000043355597 175023020 /nfs/dbraw/zinc/02/30/20/175023020.db2.gz KXRSGACQFVDJPG-HNNXBMFYSA-N 1 0 258.321 2.177 10 0 CEAERO C[C@H]([NH3+])[C@H](c1ccncc1)n1ccc(C(F)(F)F)n1 ZINC000043355039 175023109 /nfs/dbraw/zinc/02/31/09/175023109.db2.gz BDWZBLFHLTYBRP-GZMMTYOYSA-N 1 0 270.258 2.234 10 0 CEAERO C[C@@H]([NH3+])[C@H](Oc1ccc(CO)cc1)c1ccncc1 ZINC000043356303 175023673 /nfs/dbraw/zinc/02/36/73/175023673.db2.gz QUFMQRNBRCPTLI-ABAIWWIYSA-N 1 0 258.321 2.041 10 0 CEAERO Cc1ccc([C@@H]([C@@H](C)[NH3+])N2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000043363670 175024002 /nfs/dbraw/zinc/02/40/02/175024002.db2.gz ZPGUZNUGBZIOPP-GFQSEFKGSA-N 1 0 252.358 2.086 10 0 CEAERO CC[C@@H]1CN([C@@H](c2ccc(C)o2)[C@@H](C)[NH3+])CCO1 ZINC000043364188 175025098 /nfs/dbraw/zinc/02/50/98/175025098.db2.gz YRARQCCBLNPJMG-YRGRVCCFSA-N 1 0 252.358 2.087 10 0 CEAERO CC[C@H]([NH3+])[C@H](OC[C@@H]1CCOC1)c1ccc(C)o1 ZINC000043367123 175027292 /nfs/dbraw/zinc/02/72/92/175027292.db2.gz QRRXCFZVSROWEA-DYEKYZERSA-N 1 0 253.342 2.420 10 0 CEAERO CC[C@H]([NH3+])[C@@H](N(C)Cc1ccoc1)C(F)(F)F ZINC000043378253 175030461 /nfs/dbraw/zinc/03/04/61/175030461.db2.gz FDSSSCRUWOXVNF-VHSXEESVSA-N 1 0 250.264 2.380 10 0 CEAERO CC[C@H]([NH3+])[C@H](N1CCN(C(C)(C)C)CC1)C(F)(F)F ZINC000043378322 175030469 /nfs/dbraw/zinc/03/04/69/175030469.db2.gz LDJMGDXAMDFNEF-QWRGUYRKSA-N 1 0 281.366 2.071 10 0 CEAERO CCC(CC)N(CCOC)[C@@H]([C@@H](C)[NH3+])C(F)(F)F ZINC000043379131 175030942 /nfs/dbraw/zinc/03/09/42/175030942.db2.gz DYHAKSTUKDCROQ-KOLCDFICSA-N 1 0 270.339 2.402 10 0 CEAERO CC[C@@H]([NH3+])[C@H](N(C)Cc1cscn1)C(F)(F)F ZINC000043379306 175031007 /nfs/dbraw/zinc/03/10/07/175031007.db2.gz NSNIWKDWSKWPBQ-BDAKNGLRSA-N 1 0 267.320 2.243 10 0 CEAERO COCCN(C)[C@H](C[NH3+])c1ccc(Cl)c(F)c1 ZINC000043390484 175033555 /nfs/dbraw/zinc/03/35/55/175033555.db2.gz AKSGJBIDDZOJKG-GFCCVEGCSA-N 1 0 260.740 2.057 10 0 CEAERO COC[C@H](C)N(C)[C@@H](C[NH3+])c1ccc(Cl)c(F)c1 ZINC000043390557 175033621 /nfs/dbraw/zinc/03/36/21/175033621.db2.gz IBGKGKPYBQIZRH-ZANVPECISA-N 1 0 274.767 2.446 10 0 CEAERO NC(=[NH2+])c1cc2c(nc1OCc1ccccc1)CCC2 ZINC000043406936 175037111 /nfs/dbraw/zinc/03/71/11/175037111.db2.gz OTFHVMQEGFYHQD-UHFFFAOYSA-N 1 0 267.332 2.433 10 0 CEAERO CC[C@H](C[NH3+])Oc1c(F)c(F)c(F)c(F)c1F ZINC000043542209 175064086 /nfs/dbraw/zinc/06/40/86/175064086.db2.gz HGSLGPHAHRWPLU-SCSAIBSYSA-N 1 0 255.186 2.498 10 0 CEAERO C[NH2+]CCC(=O)Nc1ccc(C)cc1Br ZINC000043599607 175077218 /nfs/dbraw/zinc/07/72/18/175077218.db2.gz XNCFRVPOQQLWOJ-UHFFFAOYSA-N 1 0 271.158 2.306 10 0 CEAERO C[NH2+]CCC(=O)N[C@H](C)c1cccc(Br)c1 ZINC000043600254 175077761 /nfs/dbraw/zinc/07/77/61/175077761.db2.gz FWEYQORVJREBAK-SECBINFHSA-N 1 0 285.185 2.236 10 0 CEAERO C[NH+](C)CCNCc1sccc1Br ZINC000043674810 175087973 /nfs/dbraw/zinc/08/79/73/175087973.db2.gz WGYCNTMXAMJNTR-UHFFFAOYSA-N 1 0 263.204 2.162 10 0 CEAERO CCCn1c2ccc(F)cc2nc1[C@@H]1C[NH2+]CCO1 ZINC000043705083 175099415 /nfs/dbraw/zinc/09/94/15/175099415.db2.gz FGILLDJWOYTYJS-ZDUSSCGKSA-N 1 0 263.316 2.246 10 0 CEAERO CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N1C[C@@H](C)O[C@@H](C)C1 ZINC000043811473 175110701 /nfs/dbraw/zinc/11/07/01/175110701.db2.gz CKLANGMEPUZGNY-AHDPXTMNSA-N 1 0 254.418 2.262 10 0 CEAERO CC[NH2+][C@@H](CN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000043811461 175111252 /nfs/dbraw/zinc/11/12/52/175111252.db2.gz JUAMYCXDYFXCRO-LZWOXQAQSA-N 1 0 262.397 2.446 10 0 CEAERO C[NH2+][C@@H]1CCOC[C@@H]1N1CCC(Cc2ccccc2)CC1 ZINC000043819725 175113905 /nfs/dbraw/zinc/11/39/05/175113905.db2.gz FIVCQDKKCHYDND-MSOLQXFVSA-N 1 0 288.435 2.318 10 0 CEAERO CCC[NH2+][C@@H]1CCC2(C[C@@H]1N(CC)CCC)OCCO2 ZINC000043884808 175116412 /nfs/dbraw/zinc/11/64/12/175116412.db2.gz BOQNLWISDCUAJQ-CABCVRRESA-N 1 0 284.444 2.382 10 0 CEAERO C[NH2+][C@@H](CN1CCC(OC)CC1)c1cccc(OC)c1 ZINC000043889969 175117804 /nfs/dbraw/zinc/11/78/04/175117804.db2.gz UUPWPYCBAZFEFE-INIZCTEOSA-N 1 0 278.396 2.067 10 0 CEAERO CC[NH2+][C@@H]1CCCCCC[C@@H]1N1CCOC[C@@H]1C ZINC000043891412 175118317 /nfs/dbraw/zinc/11/83/17/175118317.db2.gz ZLRFXZBZZXBIHY-ZNMIVQPWSA-N 1 0 254.418 2.408 10 0 CEAERO CCC[NH2+][C@@H](CN1CCOC[C@@H]1C)c1ccc(OC)cc1 ZINC000043891814 175118483 /nfs/dbraw/zinc/11/84/83/175118483.db2.gz XDYQUWYDQYDSDJ-YOEHRIQHSA-N 1 0 292.423 2.457 10 0 CEAERO CC[NH2+][C@H](CN1CCOC(C)(C)C1)c1cccc(OC)c1 ZINC000043897876 175120553 /nfs/dbraw/zinc/12/05/53/175120553.db2.gz DGMZNXVIXRDULQ-MRXNPFEDSA-N 1 0 292.423 2.457 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2C[C@@H]1N(C)CC(F)(F)F ZINC000043900586 175121791 /nfs/dbraw/zinc/12/17/91/175121791.db2.gz MMDJRQZLRDXAMO-NWDGAFQWSA-N 1 0 258.287 2.366 10 0 CEAERO C[NH2+][C@@H](CN(C)CC(F)(F)F)c1ccccc1OC ZINC000043900524 175121809 /nfs/dbraw/zinc/12/18/09/175121809.db2.gz SJVZYWZOGKOFLK-NSHDSACASA-N 1 0 276.302 2.450 10 0 CEAERO CCC[NH2+][C@H]1CCOC[C@@H]1N(C)Cc1cccc(OC)c1 ZINC000043912041 175123757 /nfs/dbraw/zinc/12/37/57/175123757.db2.gz VMCHSFSCFGIDDN-IRXDYDNUSA-N 1 0 292.423 2.284 10 0 CEAERO CC[NH2+][C@H]1CCC2(C[C@H]1N(C)CCC(C)C)OCCO2 ZINC000043914921 175124390 /nfs/dbraw/zinc/12/43/90/175124390.db2.gz UTTXYVNSXDODAI-LSDHHAIUSA-N 1 0 284.444 2.238 10 0 CEAERO CC[NH2+][C@H](c1ccc(OC)cc1)[C@@H](C)N(C)CCOC ZINC000043915969 175125079 /nfs/dbraw/zinc/12/50/79/175125079.db2.gz ZTWWGMKCFOWNHC-CJNGLKHVSA-N 1 0 280.412 2.313 10 0 CEAERO C[NH2+][C@@H](CN1CCOCC1(C)C)c1ccccc1C ZINC000043916731 175125478 /nfs/dbraw/zinc/12/54/78/175125478.db2.gz XDQAUQZZIHFEKZ-HNNXBMFYSA-N 1 0 262.397 2.366 10 0 CEAERO CCC[NH2+][C@@H]1c2ccccc2OC[C@@H]1N(CC)CCOC ZINC000043968807 175129637 /nfs/dbraw/zinc/12/96/37/175129637.db2.gz YIPPNSOTHRWNFY-DOTOQJQBSA-N 1 0 292.423 2.457 10 0 CEAERO CC[NH2+][C@@H](CN(C)[C@@H](C)COC)c1cccc(OC)c1 ZINC000043969213 175130748 /nfs/dbraw/zinc/13/07/48/175130748.db2.gz KNTCRUPBNVKQLJ-BBRMVZONSA-N 1 0 280.412 2.313 10 0 CEAERO CCC[NH2+]CC(=O)N(C)Cc1ccc(Br)o1 ZINC000044650487 175224346 /nfs/dbraw/zinc/22/43/46/175224346.db2.gz CEKJOZQENRRBKG-UHFFFAOYSA-N 1 0 289.173 2.000 10 0 CEAERO C[C@@H](Oc1ccc2c(c1)CCC[C@H]2[NH3+])C(=O)NC1CC1 ZINC000044744934 175241456 /nfs/dbraw/zinc/24/14/56/175241456.db2.gz CGNCFWCKFZVZDC-MEBBXXQBSA-N 1 0 274.364 2.069 10 0 CEAERO Cc1cc(N)ccc1C(=O)NCC[NH+]1CCC(C)CC1 ZINC000044748986 175244396 /nfs/dbraw/zinc/24/43/96/175244396.db2.gz RJKPTGOUBREQHU-UHFFFAOYSA-N 1 0 275.396 2.039 10 0 CEAERO C[C@H](NC(=O)C1(C[NH3+])CCCCC1)c1ccccn1 ZINC000044762644 175246794 /nfs/dbraw/zinc/24/67/94/175246794.db2.gz NIGAACWETJLZDE-LBPRGKRZSA-N 1 0 261.369 2.168 10 0 CEAERO C[C@@H]([NH3+])c1cccc(NC(=O)NC[C@@H]2CCCOC2)c1 ZINC000044981670 175283426 /nfs/dbraw/zinc/28/34/26/175283426.db2.gz WOKQKUUZUQIFMK-NEPJUHHUSA-N 1 0 277.368 2.254 10 0 CEAERO C[C@H](CNc1cc2c(cc1N)OCCO2)[NH+]1CCCCC1 ZINC000044988995 175285454 /nfs/dbraw/zinc/28/54/54/175285454.db2.gz NDEFAXYTSRIIRJ-GFCCVEGCSA-N 1 0 291.395 2.326 10 0 CEAERO CC[C@@H](C)NC(=O)CCn1c(N)[nH+]c2cc(C)ccc21 ZINC000045005591 175288320 /nfs/dbraw/zinc/28/83/20/175288320.db2.gz UUGWKOPXGFOKBI-LLVKDONJSA-N 1 0 274.368 2.232 10 0 CEAERO Cc1cc(CNc2[nH+]c(C)cc(C)c2C(N)=S)on1 ZINC000045009949 175289295 /nfs/dbraw/zinc/28/92/95/175289295.db2.gz TWNQUTDRADJKBN-UHFFFAOYSA-N 1 0 276.365 2.241 10 0 CEAERO CC[NH+](CC)CCn1cc(N[C@@H](C)CCOC)cn1 ZINC000045037145 175294235 /nfs/dbraw/zinc/29/42/35/175294235.db2.gz BKEWFYCRWKPQCM-ZDUSSCGKSA-N 1 0 268.405 2.062 10 0 CEAERO NCC1([N@@H+]2CCC[C@@H]2C2CCCC2)CCOCC1 ZINC000045071046 175301072 /nfs/dbraw/zinc/30/10/72/175301072.db2.gz LOCFWORVGIMGCN-CQSZACIVSA-N 1 0 252.402 2.149 10 0 CEAERO C[N@H+](C[C@H](N)c1ccc2c(c1)OCO2)CC(C)(C)C ZINC000045072652 175302224 /nfs/dbraw/zinc/30/22/24/175302224.db2.gz MJOJPQNPUDQWDG-LBPRGKRZSA-N 1 0 264.369 2.393 10 0 CEAERO C[C@@H]([NH3+])c1cccc(S(=O)(=O)N(C)CC(C)(C)C)c1 ZINC000045089929 175305396 /nfs/dbraw/zinc/30/53/96/175305396.db2.gz OZPAQXQXOMLPNH-LLVKDONJSA-N 1 0 284.425 2.373 10 0 CEAERO CCCCCNC(=O)[C@@H](C)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000045135064 175312778 /nfs/dbraw/zinc/31/27/78/175312778.db2.gz WLKYMAHIXZXSOA-CABCVRRESA-N 1 0 283.460 2.001 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+][C@H](C)CN2CCCC2=O)c1C ZINC000045171754 175321001 /nfs/dbraw/zinc/32/10/01/175321001.db2.gz VBOXZPCDVZHBBL-VXGBXAGGSA-N 1 0 292.427 2.181 10 0 CEAERO CCCC[N@H+](CC)CC[C@](C)(NC)C(=O)OCC ZINC000045223379 175331670 /nfs/dbraw/zinc/33/16/70/175331670.db2.gz OYPPLELYYWEMFD-AWEZNQCLSA-N 1 0 258.406 2.040 10 0 CEAERO CCCN[C@](C)(C[N@H+]1C[C@H](C)C[C@H](C)C1)C(=O)OCC ZINC000045224521 175332621 /nfs/dbraw/zinc/33/26/21/175332621.db2.gz RHGBSBOGRRAGMV-IJEWVQPXSA-N 1 0 284.444 2.286 10 0 CEAERO CCCN[C@@](C)(CC[NH+](CCC)CCC)C(=O)OC ZINC000045230493 175334630 /nfs/dbraw/zinc/33/46/30/175334630.db2.gz NRLBYKGBIPYTKJ-HNNXBMFYSA-N 1 0 272.433 2.430 10 0 CEAERO CCC[NH+](CCC)CC[C@](C)(NC(C)C)C(=O)OC ZINC000045230513 175335060 /nfs/dbraw/zinc/33/50/60/175335060.db2.gz PVFZYRCPYFZDNH-HNNXBMFYSA-N 1 0 272.433 2.428 10 0 CEAERO CCN[C@@](C)(CC[N@H+](C)C1CCCCC1)C(=O)OC ZINC000045231279 175335300 /nfs/dbraw/zinc/33/53/00/175335300.db2.gz WPJVWRQOTHPCEW-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CCOC(=O)[C@](C)(C[N@H+]1[C@H](C)CCC[C@@H]1C)NC1CC1 ZINC000045231837 175335792 /nfs/dbraw/zinc/33/57/92/175335792.db2.gz SEMORHGQILERNZ-ZENOOKHLSA-N 1 0 282.428 2.323 10 0 CEAERO CCCC[NH+](CCCC)CC[C@@](C)(NCC)C(N)=O ZINC000045263339 175337610 /nfs/dbraw/zinc/33/76/10/175337610.db2.gz YNYIQGLBRQSWSB-OAHLLOKOSA-N 1 0 271.449 2.132 10 0 CEAERO CCOC(=O)[C@](C[N@H+](C)CC(C)C)(NC)c1ccccc1 ZINC000045263454 175337773 /nfs/dbraw/zinc/33/77/73/175337773.db2.gz XOAPXGPNLUKGFX-QGZVFWFLSA-N 1 0 292.423 2.252 10 0 CEAERO CCCN[C@](C[N@H+](C)CC)(C(=O)OCC)c1ccccc1 ZINC000045264621 175338367 /nfs/dbraw/zinc/33/83/67/175338367.db2.gz DFCZPQUBWRLVRA-KRWDZBQOSA-N 1 0 292.423 2.396 10 0 CEAERO CCC[N@H+](C[C@](C)(NC(C)C)C(=O)OCC)C(C)C ZINC000045266827 175339140 /nfs/dbraw/zinc/33/91/40/175339140.db2.gz QMMUGTNLUBNMDR-HNNXBMFYSA-N 1 0 272.433 2.427 10 0 CEAERO CC[N@H+](C[C@@](N)(C(=O)OC)c1ccccc1)C1CCCC1 ZINC000045269162 175340419 /nfs/dbraw/zinc/34/04/19/175340419.db2.gz MMYOZTYPIVLBGS-KRWDZBQOSA-N 1 0 290.407 2.278 10 0 CEAERO CCN[C@](C)(C[N@H+](CC)C1CCCC1)C(=O)OCC ZINC000045269219 175340598 /nfs/dbraw/zinc/34/05/98/175340598.db2.gz IUBSDMPNMSZEFV-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CCCCC[N@H+](C)CC[C@](C)(NC(C)C)C(=O)OC ZINC000045268261 175341032 /nfs/dbraw/zinc/34/10/32/175341032.db2.gz JNMSRQRCLKHDAU-HNNXBMFYSA-N 1 0 272.433 2.428 10 0 CEAERO CCC(CC)[N@H+](C)C[C@@](C)(NC(C)C)C(=O)OC ZINC000045269662 175341628 /nfs/dbraw/zinc/34/16/28/175341628.db2.gz LFJNYBBMENRGLK-CQSZACIVSA-N 1 0 258.406 2.037 10 0 CEAERO CCN[C@](C)(C[N@H+](C)C1CCCCCC1)C(=O)OC ZINC000045271905 175342444 /nfs/dbraw/zinc/34/24/44/175342444.db2.gz IKINTBDKUDUADG-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CCN[C@@](C)(C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)OCC ZINC000045272081 175343382 /nfs/dbraw/zinc/34/33/82/175343382.db2.gz JKWTWFHJFLAXDL-UXLLHSPISA-N 1 0 296.455 2.430 10 0 CEAERO CCN[C@](C)(C[NH+](CC(C)C)CC(C)C)C(=O)OC ZINC000045273777 175344060 /nfs/dbraw/zinc/34/40/60/175344060.db2.gz XNEJIIXLOXELIO-OAHLLOKOSA-N 1 0 272.433 2.142 10 0 CEAERO CCCC[N@H+](CC[C@](C)([NH2+]CCC)C(=O)[O-])C1CC1 ZINC000045276306 175346507 /nfs/dbraw/zinc/34/65/07/175346507.db2.gz QCCPJDHTDJYEGU-HNNXBMFYSA-N 1 0 270.417 2.484 10 0 CEAERO COC(=O)[C@](C)(C[N@H+](CC(C)C)C1CC1)NC(C)C ZINC000045277506 175347575 /nfs/dbraw/zinc/34/75/75/175347575.db2.gz PSJKVBHWISGUOX-HNNXBMFYSA-N 1 0 270.417 2.037 10 0 CEAERO CCCCC[N@H+](C[C@@](C)(NC)C(=O)OCC)C(C)C ZINC000045278557 175348331 /nfs/dbraw/zinc/34/83/31/175348331.db2.gz WYEHWRJOJKIJFL-OAHLLOKOSA-N 1 0 272.433 2.428 10 0 CEAERO CCC1CC[NH+](CC[C@@](C)(NC2CC2)C(=O)OC)CC1 ZINC000045281480 175352618 /nfs/dbraw/zinc/35/26/18/175352618.db2.gz IYZZBUXERQNOIQ-MRXNPFEDSA-N 1 0 282.428 2.182 10 0 CEAERO CCCC[N@H+](C)CCC[C@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045368316 175362943 /nfs/dbraw/zinc/36/29/43/175362943.db2.gz ADBZVRQYDIFPPL-AWEZNQCLSA-N 1 0 258.406 2.340 10 0 CEAERO CN[C@@](C)(CCCC[N@@H+]1CCCC[C@@H]1C)C(=O)OC ZINC000045376070 175366512 /nfs/dbraw/zinc/36/65/12/175366512.db2.gz QOQWRMLDAQZORE-ZFWWWQNUSA-N 1 0 270.417 2.182 10 0 CEAERO COC(=O)[C@](C)(CCCC[NH+]1CCCC1)NC(C)C ZINC000045375288 175366659 /nfs/dbraw/zinc/36/66/59/175366659.db2.gz QLRBIBYQILHGSD-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CCOC(=O)[C@@](C)([NH3+])CCCN(C)c1ccccc1 ZINC000045376605 175366978 /nfs/dbraw/zinc/36/69/78/175366978.db2.gz AHUWDEGTGCEURM-HNNXBMFYSA-N 1 0 264.369 2.184 10 0 CEAERO COC(=O)[C@@](C)(CCCC[N@H+](C)C(C)C)NC(C)C ZINC000045377999 175367532 /nfs/dbraw/zinc/36/75/32/175367532.db2.gz KWYSBBWDAULYNX-OAHLLOKOSA-N 1 0 272.433 2.427 10 0 CEAERO CC(C)[N@H+](C)CCCC[C@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000045377945 175367669 /nfs/dbraw/zinc/36/76/69/175367669.db2.gz LNDKZYVKPKQFEM-AWEZNQCLSA-N 1 0 256.390 2.092 10 0 CEAERO CCCN[C@@H](C[N@H+]1[C@H](C)CCC[C@@H]1C)C(=O)OCC ZINC000045379479 175368226 /nfs/dbraw/zinc/36/82/26/175368226.db2.gz XJFWUYAYRJHTPZ-MJBXVCDLSA-N 1 0 270.417 2.181 10 0 CEAERO COC(=O)[C@@](C)(N)CCCC[N@@H+]1CCc2ccccc2C1 ZINC000045378757 175368335 /nfs/dbraw/zinc/36/83/35/175368335.db2.gz LHTNFMKHPIHDPW-KRWDZBQOSA-N 1 0 290.407 2.105 10 0 CEAERO CCCC[NH+](CCCC)C[C@@H](NC(C)C)C(=O)OC ZINC000045380535 175368874 /nfs/dbraw/zinc/36/88/74/175368874.db2.gz PYQMCSCAFKUBID-CQSZACIVSA-N 1 0 272.433 2.428 10 0 CEAERO CCC[N@H+](C)CCC[C@@](C)(NCC)C(=O)OCC ZINC000045382359 175370941 /nfs/dbraw/zinc/37/09/41/175370941.db2.gz DMXWEDKHRVAPSK-CQSZACIVSA-N 1 0 258.406 2.040 10 0 CEAERO CCCN[C@](C)(CCC[N@H+](C)C1CC1)C(=O)OCC ZINC000045383380 175371134 /nfs/dbraw/zinc/37/11/34/175371134.db2.gz LXZXYYMFGYYWRW-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CCCN[C@H](C[N@H+](CCC)C(C)C)C(=O)OCC ZINC000045385712 175371736 /nfs/dbraw/zinc/37/17/36/175371736.db2.gz UADVNSFPCMKHCH-CYBMUJFWSA-N 1 0 258.406 2.038 10 0 CEAERO CCC[N@H+](CC)CCC[C@](C)(NC1CC1)C(=O)OC ZINC000045387145 175372676 /nfs/dbraw/zinc/37/26/76/175372676.db2.gz CTEOZEMAEMRNRP-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CCCCC[N@H+](C)C[C@@H](NC(C)C)C(=O)OCC ZINC000045387856 175373734 /nfs/dbraw/zinc/37/37/34/175373734.db2.gz MVMKXDBJZKLVJM-CYBMUJFWSA-N 1 0 258.406 2.038 10 0 CEAERO C[C@H](CO)[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[C@@H](O)C1 ZINC000661445016 415269040 /nfs/dbraw/zinc/26/90/40/415269040.db2.gz XXHKDRWCWGWTIQ-TUVASFSCSA-N 1 0 255.402 2.020 10 0 CEAERO C[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)C1CCC(F)(F)CC1 ZINC000658238477 415271456 /nfs/dbraw/zinc/27/14/56/415271456.db2.gz HHNZAUZKWMPGMD-WDEREUQCSA-N 1 0 274.355 2.268 10 0 CEAERO CCOc1ccccc1[C@H](C)[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000658243455 415279011 /nfs/dbraw/zinc/27/90/11/415279011.db2.gz DHTATUWMPGEVGK-STQMWFEESA-N 1 0 276.380 2.214 10 0 CEAERO CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(C)C2)cc1 ZINC000658244514 415280102 /nfs/dbraw/zinc/28/01/02/415280102.db2.gz LOLQEIPTFJSPNC-OCCSQVGLSA-N 1 0 260.381 2.378 10 0 CEAERO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000658245139 415281167 /nfs/dbraw/zinc/28/11/67/415281167.db2.gz WGCZOHIQMFXFLE-IHRRRGAJSA-N 1 0 252.402 2.269 10 0 CEAERO COc1ccc2c(c1)CN(C(=O)[C@]1(C)CCCC[NH2+]1)C2 ZINC000655502646 415310529 /nfs/dbraw/zinc/31/05/29/415310529.db2.gz RYGSVUJIZWRBOF-INIZCTEOSA-N 1 0 274.364 2.070 10 0 CEAERO COc1cc(OC)c([C@H]2CC[NH2+][C@H]2C)cc1OC ZINC000051954080 175528610 /nfs/dbraw/zinc/52/86/10/175528610.db2.gz SPXKHZCDVSZCFZ-UWVGGRQHSA-N 1 0 251.326 2.178 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)C1CCC(F)(F)CC1 ZINC000655525198 415327369 /nfs/dbraw/zinc/32/73/69/415327369.db2.gz HOISKBXDESAWAW-WCQGTBRESA-N 1 0 274.355 2.444 10 0 CEAERO C[C@@H]([NH2+]C1CC(CO)C1)c1ccc(-n2ccnc2)cc1 ZINC000658351296 415332122 /nfs/dbraw/zinc/33/21/22/415332122.db2.gz MTNSIPBNBFGHQX-DNOWBOINSA-N 1 0 271.364 2.294 10 0 CEAERO OCC1CC([NH2+][C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000658352840 415333032 /nfs/dbraw/zinc/33/30/32/415333032.db2.gz ZIRCKQHXKZONOX-AQFXKWCLSA-N 1 0 274.408 2.012 10 0 CEAERO CN(CCC[NH+]1CCCC1)c1cccc(C(N)=S)c1 ZINC000061953050 175658837 /nfs/dbraw/zinc/65/88/37/175658837.db2.gz WVVUXEFSCWGRJT-UHFFFAOYSA-N 1 0 277.437 2.243 10 0 CEAERO Cc1cc2c(c(-c3cccc(CO)c3)c1)O[C@@H](C[NH3+])C2 ZINC000067805183 175793352 /nfs/dbraw/zinc/79/33/52/175793352.db2.gz AGXATJXLUYMGDE-OAHLLOKOSA-N 1 0 269.344 2.417 10 0 CEAERO C[C@H]1C[C@H](CNC(=O)[C@@]2(C)CCC[NH2+]2)C[C@@H](C)C1 ZINC000659344127 415534795 /nfs/dbraw/zinc/53/47/95/415534795.db2.gz YLPSLQHRUICVDJ-UKTARXLSSA-N 1 0 252.402 2.317 10 0 CEAERO O=C([C@@H]1CC[NH2+]C1)N1CC[C@H](C2CCCCC2)C1 ZINC000659358056 415538683 /nfs/dbraw/zinc/53/86/83/415538683.db2.gz OKDUIWCGKDPMMI-KGLIPLIRSA-N 1 0 250.386 2.025 10 0 CEAERO COCC[NH2+]Cc1c(C)nc(-c2ccoc2)nc1C ZINC000070414733 175915396 /nfs/dbraw/zinc/91/53/96/175915396.db2.gz SLXAZTMNBCEMBK-UHFFFAOYSA-N 1 0 261.325 2.089 10 0 CEAERO COc1ccc([C@@H](C[NH3+])n2cc(C(F)(F)F)cn2)cc1 ZINC000070465899 175945740 /nfs/dbraw/zinc/94/57/40/175945740.db2.gz ACGISDHSBAYYFX-GFCCVEGCSA-N 1 0 285.269 2.459 10 0 CEAERO [NH3+]C[C@@H]1CC(=O)N(c2cc(C(F)(F)F)ccc2F)C1 ZINC000070493282 175955808 /nfs/dbraw/zinc/95/58/08/175955808.db2.gz RINXINMUDHDSDW-ZETCQYMHSA-N 1 0 276.233 2.156 10 0 CEAERO O=C(N(CC1CC1)CC1CC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000070505410 175959233 /nfs/dbraw/zinc/95/92/33/175959233.db2.gz DNKHDBWOMFYFDQ-CYBMUJFWSA-N 1 0 290.329 2.177 10 0 CEAERO CCOC(=O)[C@](C)(C[NH+](CC1CC1)CC1CC1)NC1CC1 ZINC000070506876 175959380 /nfs/dbraw/zinc/95/93/80/175959380.db2.gz DTNDGLGRYODHHC-KRWDZBQOSA-N 1 0 294.439 2.182 10 0 CEAERO CC(C)C[NH+](CC(C)C)C[C@](O)(CN)c1ccccc1 ZINC000070521404 175966489 /nfs/dbraw/zinc/96/64/89/175966489.db2.gz UEGNCKDOOCPMRF-QGZVFWFLSA-N 1 0 278.440 2.447 10 0 CEAERO CCOC(=O)c1ccccc1NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000070577538 175992838 /nfs/dbraw/zinc/99/28/38/175992838.db2.gz XRYZQBBYALACIR-VXGBXAGGSA-N 1 0 290.363 2.319 10 0 CEAERO Cc1nn(Cc2ccccc2Br)cc1C[NH3+] ZINC000070708103 176002332 /nfs/dbraw/zinc/00/23/32/176002332.db2.gz ZOUAVKILZCUIRG-UHFFFAOYSA-N 1 0 280.169 2.461 10 0 CEAERO C[NH2+]Cc1cnn(Cc2sccc2Br)c1 ZINC000070708689 176002446 /nfs/dbraw/zinc/00/24/46/176002446.db2.gz REBVQECFIHZUET-UHFFFAOYSA-N 1 0 286.198 2.475 10 0 CEAERO [NH3+][C@@H]1CCC(=O)N[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000070824412 176007414 /nfs/dbraw/zinc/00/74/14/176007414.db2.gz LQSHSPTYSMJVAR-KOLCDFICSA-N 1 0 259.136 2.272 10 0 CEAERO Cc1ccc(C(=O)N(CC[NH3+])C2CCCC2)cc1F ZINC000070943644 176016810 /nfs/dbraw/zinc/01/68/10/176016810.db2.gz USUWLBRSUOONPE-UHFFFAOYSA-N 1 0 264.344 2.478 10 0 CEAERO Cc1ccc([C@H]2[C@@H]([NH3+])CCC(=O)N2C2CC2)s1 ZINC000070987557 176018644 /nfs/dbraw/zinc/01/86/44/176018644.db2.gz CHMAWRNOFBBWMD-GXFFZTMASA-N 1 0 250.367 2.210 10 0 CEAERO CC[C@]1(C)C[C@H]([NH2+][C@@H]2CN3CCC2CC3)CCO1 ZINC000070988084 176018699 /nfs/dbraw/zinc/01/86/99/176018699.db2.gz HKRQUDITXLDAAI-RBSFLKMASA-N 1 0 252.402 2.018 10 0 CEAERO [NH3+][C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1ccc(F)cc1F ZINC000070987415 176018728 /nfs/dbraw/zinc/01/87/28/176018728.db2.gz CLFHCNSAFJELRH-TZMCWYRMSA-N 1 0 266.291 2.118 10 0 CEAERO OCC1CC[NH+](C[C@@H]2OCCc3ccccc32)CC1 ZINC000071030839 176022102 /nfs/dbraw/zinc/02/21/02/176022102.db2.gz NNRMASSTKLWDEZ-INIZCTEOSA-N 1 0 261.365 2.005 10 0 CEAERO C[NH2+][C@H]1CCCN([C@@H](C)c2ccccc2F)C1=O ZINC000071031907 176022816 /nfs/dbraw/zinc/02/28/16/176022816.db2.gz FAMDMVXJNLQRSQ-GWCFXTLKSA-N 1 0 250.317 2.097 10 0 CEAERO C[NH2+][C@@H]1CCCN(CC[C@@H](C)c2ccccc2)C1=O ZINC000071031478 176023193 /nfs/dbraw/zinc/02/31/93/176023193.db2.gz RNCLTBFZJKFVRA-UKRRQHHQSA-N 1 0 260.381 2.391 10 0 CEAERO C[NH2+][C@H]1CCCN(CC[C@@H](C)c2ccccc2)C1=O ZINC000071031476 176023266 /nfs/dbraw/zinc/02/32/66/176023266.db2.gz RNCLTBFZJKFVRA-HIFRSBDPSA-N 1 0 260.381 2.391 10 0 CEAERO CC(C)[NH2+][C@H]1CCN(Cc2ccc(F)c(F)c2)C1=O ZINC000071034447 176024669 /nfs/dbraw/zinc/02/46/69/176024669.db2.gz PWLKQSBQCQOFPM-ZDUSSCGKSA-N 1 0 268.307 2.064 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCN1c1ccc(Cl)c(F)c1 ZINC000071036304 176025443 /nfs/dbraw/zinc/02/54/43/176025443.db2.gz AGKHIQJBPNFEJS-LBPRGKRZSA-N 1 0 268.719 2.336 10 0 CEAERO Cc1ccccc1[C@H](C)N1CC[C@H]([NH2+]C2CC2)C1=O ZINC000071036948 176025734 /nfs/dbraw/zinc/02/57/34/176025734.db2.gz ZNRASNPQXYLETO-WFASDCNBSA-N 1 0 258.365 2.409 10 0 CEAERO CC[NH2+][C@H]1CCCN(c2nc(C3CC3)cs2)C1=O ZINC000071036499 176026139 /nfs/dbraw/zinc/02/61/39/176026139.db2.gz NAPNWTDOSNVNBR-JTQLQIEISA-N 1 0 265.382 2.125 10 0 CEAERO CCC[NH2+][C@@H]1CCCN([C@H](C)c2ccccn2)C1=O ZINC000071040330 176027646 /nfs/dbraw/zinc/02/76/46/176027646.db2.gz DTFRKQNAIDAXMC-TZMCWYRMSA-N 1 0 261.369 2.133 10 0 CEAERO CC(C)[NH2+][C@H]1CCCN(CCc2cccc(F)c2)C1=O ZINC000071040534 176027732 /nfs/dbraw/zinc/02/77/32/176027732.db2.gz HFKNTLMLYFTUIT-HNNXBMFYSA-N 1 0 278.371 2.357 10 0 CEAERO CCC[NH2+][C@H]1CCCN(Cc2ccc(C)o2)C1=O ZINC000071042595 176028431 /nfs/dbraw/zinc/02/84/31/176028431.db2.gz VVCUYRUOAFANDA-ZDUSSCGKSA-N 1 0 250.342 2.079 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN(c2ccc3ncccc3c2)C1=O ZINC000071042557 176028684 /nfs/dbraw/zinc/02/86/84/176028684.db2.gz ODNYIGNUFICGMX-OAHLLOKOSA-N 1 0 269.348 2.338 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCCN1[C@H]1CCOc2ccccc21 ZINC000071043271 176029205 /nfs/dbraw/zinc/02/92/05/176029205.db2.gz HOOOMIAMXBDNSD-GJZGRUSLSA-N 1 0 286.375 2.253 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCCN1c1cc(F)c(F)c(F)c1 ZINC000071042894 176029217 /nfs/dbraw/zinc/02/92/17/176029217.db2.gz GJOVOHTYHXHVEB-GFCCVEGCSA-N 1 0 284.281 2.351 10 0 CEAERO CCN(CC)CC[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000071045058 176029958 /nfs/dbraw/zinc/02/99/58/176029958.db2.gz HZXUDNMWKJHSMD-INIZCTEOSA-N 1 0 262.397 2.232 10 0 CEAERO CC[C@@H]1CCC[C@@](C[NH3+])(N2CCOCC2(C)C)C1 ZINC000071123754 176035083 /nfs/dbraw/zinc/03/50/83/176035083.db2.gz RRJYBNKHNSCKHA-UKRRQHHQSA-N 1 0 254.418 2.395 10 0 CEAERO CC[C@H]1CCC[C@@](C[NH3+])(N(C)Cc2nccn2C)C1 ZINC000071124735 176035239 /nfs/dbraw/zinc/03/52/39/176035239.db2.gz MCDBDWXFDMCGKW-DZGCQCFKSA-N 1 0 264.417 2.150 10 0 CEAERO CC[C@@H]1CCC[C@](CN)([N@H+](C)C2CCOCC2)C1 ZINC000071123460 176035278 /nfs/dbraw/zinc/03/52/78/176035278.db2.gz KQESDUJWPBDAPT-HIFRSBDPSA-N 1 0 254.418 2.395 10 0 CEAERO CC[C@H]1CCC[C@@H](O[C@@H](C[NH3+])c2cnn(C)c2)C1 ZINC000071130593 176035643 /nfs/dbraw/zinc/03/56/43/176035643.db2.gz AWTVCQRTOQJJIB-YUTCNCBUSA-N 1 0 251.374 2.405 10 0 CEAERO Cc1noc(C)c1C[NH2+]C1(CO)CCC(C)CC1 ZINC000071137722 176036261 /nfs/dbraw/zinc/03/62/61/176036261.db2.gz SGPWSGLBDATIJM-UHFFFAOYSA-N 1 0 252.358 2.322 10 0 CEAERO CCC[NH2+][C@@H](c1ccc2c(c1)C(=O)N(C)C(=O)C2)C1CC1 ZINC000071139515 176038094 /nfs/dbraw/zinc/03/80/94/176038094.db2.gz RWVDYMOXRYIPTC-MRXNPFEDSA-N 1 0 286.375 2.292 10 0 CEAERO C[NH2+]C[C@@H]1CCN(Cc2nnc(-c3cccc(C)c3)o2)C1 ZINC000071145739 176042010 /nfs/dbraw/zinc/04/20/10/176042010.db2.gz POLSMTTVEQOLEF-ZDUSSCGKSA-N 1 0 286.379 2.086 10 0 CEAERO C[NH2+]C[C@H]1CCN(Cc2nnc(-c3ccc(C)cc3)o2)C1 ZINC000071147533 176043656 /nfs/dbraw/zinc/04/36/56/176043656.db2.gz LAIVGVIWRWUIIA-CYBMUJFWSA-N 1 0 286.379 2.086 10 0 CEAERO NNc1cc(COc2cc(F)ccc2F)cc[nH+]1 ZINC000071168648 176049955 /nfs/dbraw/zinc/04/99/55/176049955.db2.gz AMYDDHFDYAPXFX-UHFFFAOYSA-N 1 0 251.236 2.224 10 0 CEAERO COc1ccc(C[C@](C)(CN)[N@H+](C)CC2CC2)cc1 ZINC000071169154 176050161 /nfs/dbraw/zinc/05/01/61/176050161.db2.gz RMWBMJRXLCOHRD-MRXNPFEDSA-N 1 0 262.397 2.297 10 0 CEAERO Cc1c(Cl)nnc(N(C)C2CC[NH+](C)CC2)c1C ZINC000071171103 176051510 /nfs/dbraw/zinc/05/15/10/176051510.db2.gz CEECXGVYFVCHQD-UHFFFAOYSA-N 1 0 268.792 2.277 10 0 CEAERO CCN(Cc1ccccc1C)c1cnc(C[NH3+])cn1 ZINC000071177828 176055872 /nfs/dbraw/zinc/05/58/72/176055872.db2.gz KPEHSGYSWCGIEF-UHFFFAOYSA-N 1 0 256.353 2.270 10 0 CEAERO CN1CC[C@H]([NH2+]Cc2cccc3ccccc32)C1=O ZINC000071183838 176059184 /nfs/dbraw/zinc/05/91/84/176059184.db2.gz UMQWTRBGZZDFPV-HNNXBMFYSA-N 1 0 254.333 2.160 10 0 CEAERO CC[C@H]([NH3+])Cc1cc(C)c(O[C@@H]2CCN(C)C2=O)c(C)c1 ZINC000071184735 176059458 /nfs/dbraw/zinc/05/94/58/176059458.db2.gz LWPMNOALTKRKLU-LSDHHAIUSA-N 1 0 290.407 2.193 10 0 CEAERO CN(C[C@H]1CC[N@H+](C)C1)c1ccc(N)c(OC(C)(C)C)n1 ZINC000071188473 176063197 /nfs/dbraw/zinc/06/31/97/176063197.db2.gz LURAGTRERWHZEH-LBPRGKRZSA-N 1 0 292.427 2.229 10 0 CEAERO Cc1c(C)c(N(C)C[C@H]2CC[N@H+](C)C2)nnc1Cl ZINC000071192743 176074621 /nfs/dbraw/zinc/07/46/21/176074621.db2.gz HXZTYKMQYQSCRI-NSHDSACASA-N 1 0 268.792 2.135 10 0 CEAERO CC(C)[NH2+][C@H]1CCCN(c2cnn(C(C)C)c2)C1 ZINC000071199678 176077019 /nfs/dbraw/zinc/07/70/19/176077019.db2.gz JNJDAVKASNMCTD-ZDUSSCGKSA-N 1 0 250.390 2.431 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN(CCc2cccc(F)c2)C1 ZINC000071199144 176077258 /nfs/dbraw/zinc/07/72/58/176077258.db2.gz WNCXSBGSTSRYHJ-OAHLLOKOSA-N 1 0 250.361 2.441 10 0 CEAERO [NH3+]Cc1cccc(Cn2cc(C(F)(F)F)ccc2=O)c1 ZINC000071211921 176083624 /nfs/dbraw/zinc/08/36/24/176083624.db2.gz FVQTVBYWAKIYQG-UHFFFAOYSA-N 1 0 282.265 2.374 10 0 CEAERO CCOC(=O)CCCCC[N@@H+]1CCC[C@H]1CN(C)C ZINC000071293405 176111501 /nfs/dbraw/zinc/11/15/01/176111501.db2.gz FKUILVMMIOWEPI-AWEZNQCLSA-N 1 0 270.417 2.136 10 0 CEAERO CCOC(=O)CCCCCN(CC)[C@@H]1CCC[NH2+]C1 ZINC000071297806 176112871 /nfs/dbraw/zinc/11/28/71/176112871.db2.gz WLHSIOYECSUMGT-CQSZACIVSA-N 1 0 270.417 2.184 10 0 CEAERO c1cc2c(cc1[C@H]1C[NH2+]C[C@@H](C3CC3)O1)OCCCO2 ZINC000071308807 176116503 /nfs/dbraw/zinc/11/65/03/176116503.db2.gz FYFJELGSCHXVIB-JKSUJKDBSA-N 1 0 275.348 2.287 10 0 CEAERO CCn1cc(CN(C)[C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000071309800 176116847 /nfs/dbraw/zinc/11/68/47/176116847.db2.gz SVJNNIFVBHRIAR-CQSZACIVSA-N 1 0 257.381 2.455 10 0 CEAERO CCN(C(=O)c1cc2c(s1)CCC2)[C@@H]1CC[NH2+]C1 ZINC000071312594 176119099 /nfs/dbraw/zinc/11/90/99/176119099.db2.gz HHPPIJLYHSYOJL-LLVKDONJSA-N 1 0 264.394 2.061 10 0 CEAERO CCN(C(=O)Cc1c(F)cccc1Cl)[C@H]1CC[NH2+]C1 ZINC000071312516 176119111 /nfs/dbraw/zinc/11/91/11/176119111.db2.gz YWSBKFJSRTUVAA-JTQLQIEISA-N 1 0 284.762 2.232 10 0 CEAERO CCN(C(=O)c1cccc(Br)c1)[C@H]1CC[NH2+]C1 ZINC000071312506 176119122 /nfs/dbraw/zinc/11/91/22/176119122.db2.gz OODXZBGLEQFXPX-LBPRGKRZSA-N 1 0 297.196 2.273 10 0 CEAERO CCN(Cc1noc(-c2ccc(C)cc2)n1)[C@@H]1CC[NH2+]C1 ZINC000071313114 176119535 /nfs/dbraw/zinc/11/95/35/176119535.db2.gz PMBOBMKGEUAWJL-CQSZACIVSA-N 1 0 286.379 2.229 10 0 CEAERO CC(C)[NH+](CCNC1CN(C(=O)OC(C)(C)C)C1)C(C)C ZINC000071335062 176126915 /nfs/dbraw/zinc/12/69/15/176126915.db2.gz FCJOQEBJLNHWNW-UHFFFAOYSA-N 1 0 299.459 2.314 10 0 CEAERO Cc1ccc(C)c(CC(=O)NC[C@@H]2[NH2+]CCC[C@H]2C)c1 ZINC000071338813 176129013 /nfs/dbraw/zinc/12/90/13/176129013.db2.gz FEZRQEMAOGYDNJ-ZBFHGGJFSA-N 1 0 274.408 2.350 10 0 CEAERO Cc1ccc(C)c(CC(=O)NC[C@H]2[NH2+]CCC[C@H]2C)c1 ZINC000071338812 176129017 /nfs/dbraw/zinc/12/90/17/176129017.db2.gz FEZRQEMAOGYDNJ-GDBMZVCRSA-N 1 0 274.408 2.350 10 0 CEAERO C[C@H]1CCC[NH2+][C@@H]1CNC(=O)c1c(F)cccc1F ZINC000071338629 176129094 /nfs/dbraw/zinc/12/90/94/176129094.db2.gz JOCIYNPTLBTGQJ-JOYOIKCWSA-N 1 0 268.307 2.083 10 0 CEAERO C[C@H]1CCC[NH2+][C@@H]1CNC(=O)Nc1cccc(F)c1 ZINC000071338980 176129363 /nfs/dbraw/zinc/12/93/63/176129363.db2.gz VKWJOTQZIZKVMJ-GXFFZTMASA-N 1 0 265.332 2.335 10 0 CEAERO CC(C)[C@@H]1CN(Cc2cnn(C)c2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000071342188 176130691 /nfs/dbraw/zinc/13/06/91/176130691.db2.gz WERSTIQZFGFQFA-JKSUJKDBSA-N 1 0 276.428 2.019 10 0 CEAERO CC[C@@H]1CN(Cc2cccc(OC)n2)[C@H](C(C)C)C[NH2+]1 ZINC000071343711 176130930 /nfs/dbraw/zinc/13/09/30/176130930.db2.gz RSPPDMGXSQGGPE-HIFRSBDPSA-N 1 0 277.412 2.299 10 0 CEAERO CC[C@@H]1CN(Cc2cn3ccccc3n2)[C@H](C2CC2)C[NH2+]1 ZINC000071344178 176131062 /nfs/dbraw/zinc/13/10/62/176131062.db2.gz HVUORDXGTSWUSZ-ZBFHGGJFSA-N 1 0 284.407 2.297 10 0 CEAERO CCOCCN1CC(C)(C)[NH2+]C[C@@H]1Cc1ccccc1 ZINC000071343034 176131212 /nfs/dbraw/zinc/13/12/12/176131212.db2.gz PBHQLMYDGBMCQT-INIZCTEOSA-N 1 0 276.424 2.318 10 0 CEAERO CCC[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1CCn1cccn1 ZINC000071346869 176132166 /nfs/dbraw/zinc/13/21/66/176132166.db2.gz NFVJBEPUSIBHCJ-CABCVRRESA-N 1 0 278.444 2.372 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](Cc2ccccc2)CN1C[C@@H]1CCCCO1 ZINC000071352533 176135293 /nfs/dbraw/zinc/13/52/93/176135293.db2.gz MWUPUGRBBSXNQV-NJAFHUGGSA-N 1 0 288.435 2.461 10 0 CEAERO CC[C@H](C)[C@H]1CN(Cc2cnn(C)c2)[C@H](C2CC2)C[NH2+]1 ZINC000071355399 176136767 /nfs/dbraw/zinc/13/67/67/176136767.db2.gz HOYUTHVPPQSTKZ-MAZHCROVSA-N 1 0 276.428 2.019 10 0 CEAERO CC[C@H](C)[C@H]1CN(CCCn2ccnc2)C(C)(C)C[NH2+]1 ZINC000071355679 176136953 /nfs/dbraw/zinc/13/69/53/176136953.db2.gz KOEMUBYPJHSCBN-LSDHHAIUSA-N 1 0 278.444 2.372 10 0 CEAERO c1cnn(CCN2CC3(CCCCC3)[NH2+]C[C@H]2C2CC2)c1 ZINC000071359720 176137196 /nfs/dbraw/zinc/13/71/96/176137196.db2.gz HUTMLMAMCQVTQW-INIZCTEOSA-N 1 0 288.439 2.270 10 0 CEAERO C[C@@H]1C[NH2+]C2(CCCCC2)CN1CCCn1ccnc1 ZINC000071359253 176137245 /nfs/dbraw/zinc/13/72/45/176137245.db2.gz IECJOTMUKKATPJ-OAHLLOKOSA-N 1 0 276.428 2.270 10 0 CEAERO CC[C@@]1(C)CN(Cc2cccc(OC)n2)C(C)(C)C[NH2+]1 ZINC000071357597 176137710 /nfs/dbraw/zinc/13/77/10/176137710.db2.gz VMKDEFWBGUGHOY-INIZCTEOSA-N 1 0 277.412 2.443 10 0 CEAERO CC[C@]1(C)CN(CCn2cccn2)C2(CCCC2)C[NH2+]1 ZINC000071357944 176137713 /nfs/dbraw/zinc/13/77/13/176137713.db2.gz PJOBUXUOCAAAFI-OAHLLOKOSA-N 1 0 276.428 2.270 10 0 CEAERO CC(C)(C)OC(=O)NC[C@H](CC[NH3+])C(F)(F)F ZINC000071373346 176139203 /nfs/dbraw/zinc/13/92/03/176139203.db2.gz XFWHPFFSYDMEOE-ZETCQYMHSA-N 1 0 256.268 2.038 10 0 CEAERO C[N@H+](CCNc1cc2c(cc1N)OCCO2)C1CCCC1 ZINC000071376960 176142452 /nfs/dbraw/zinc/14/24/52/176142452.db2.gz FIZFWGFBFFUYQR-UHFFFAOYSA-N 1 0 291.395 2.326 10 0 CEAERO Nc1ccn(CC[N@H+](Cc2cccs2)C2CC2)n1 ZINC000071378049 176143130 /nfs/dbraw/zinc/14/31/30/176143130.db2.gz BSCDRZATKKJRQU-UHFFFAOYSA-N 1 0 262.382 2.191 10 0 CEAERO Cc1ccc(O[C@@H]2CCOC2=O)c(C[NH2+]C(C)C)c1 ZINC000071406602 176155813 /nfs/dbraw/zinc/15/58/13/176155813.db2.gz GBXSUZDGAZUSRD-CQSZACIVSA-N 1 0 263.337 2.187 10 0 CEAERO Cc1ccc(OC[C@H](C)C(N)=O)c(C[NH2+]C(C)(C)C)c1 ZINC000071407184 176156196 /nfs/dbraw/zinc/15/61/96/176156196.db2.gz WKDVCIUFAFUANH-LBPRGKRZSA-N 1 0 278.396 2.383 10 0 CEAERO CCNC(=O)COc1ccc(C)cc1C[NH2+]C(C)(C)C ZINC000071407193 176156529 /nfs/dbraw/zinc/15/65/29/176156529.db2.gz HATPBKOTPUCLBH-UHFFFAOYSA-N 1 0 278.396 2.398 10 0 CEAERO CCNC(=O)COc1ccc(C)cc1C[NH2+]C(C)C ZINC000071406658 176156541 /nfs/dbraw/zinc/15/65/41/176156541.db2.gz SOCLRLCFRHNEFH-UHFFFAOYSA-N 1 0 264.369 2.008 10 0 CEAERO Cc1ccc(OCc2cnn(C)c2)c(C[C@@H](C)[NH3+])c1 ZINC000071411667 176157149 /nfs/dbraw/zinc/15/71/49/176157149.db2.gz HLWBMKHOAGHZBT-GFCCVEGCSA-N 1 0 259.353 2.197 10 0 CEAERO Cc1ccc(OCC(=O)NC2CCCC2)c(C[C@H](C)[NH3+])c1 ZINC000071411864 176157360 /nfs/dbraw/zinc/15/73/60/176157360.db2.gz UZUYXXURJJUQMY-ZDUSSCGKSA-N 1 0 290.407 2.322 10 0 CEAERO CC[NH+](CC)CCNC(=O)c1c(C)nc2ccc(C)cn21 ZINC000071476740 176187097 /nfs/dbraw/zinc/18/70/97/176187097.db2.gz CCVPGNMGMMWRMJ-UHFFFAOYSA-N 1 0 288.395 2.023 10 0 CEAERO Brc1ccccc1CC[C@@H]1COCC[NH2+]1 ZINC000071601321 176228435 /nfs/dbraw/zinc/22/84/35/176228435.db2.gz CCUPNTVHWAHUTO-LLVKDONJSA-N 1 0 270.170 2.370 10 0 CEAERO CCOC(=O)CCN(CC[NH+](CC)CC)C(=O)C=C(C)C ZINC000071655947 176242214 /nfs/dbraw/zinc/24/22/14/176242214.db2.gz CEZMYIHQRYJWAS-UHFFFAOYSA-N 1 0 298.427 2.076 10 0 CEAERO CC(C)(C)c1ccc(OCc2nnc(CC[NH3+])[nH]2)cc1 ZINC000072236615 176345738 /nfs/dbraw/zinc/34/57/38/176345738.db2.gz XTYPVTXJEFKHTJ-UHFFFAOYSA-N 1 0 274.368 2.182 10 0 CEAERO C[C@@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)c1ccccc1Br ZINC000662445590 415846349 /nfs/dbraw/zinc/84/63/49/415846349.db2.gz GUTRUIDRSLTMHI-OPRDCNLKSA-N 1 0 297.196 2.364 10 0 CEAERO Fc1cccnc1N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656609707 415784285 /nfs/dbraw/zinc/78/42/85/415784285.db2.gz WRQAFMHVXJWOOS-CYBMUJFWSA-N 1 0 263.360 2.437 10 0 CEAERO C[C@@H]1C[N@H+](C[C@@H]2CCC[C@@H](O)C2)C[C@@](C)(C(F)F)O1 ZINC000662358583 415799057 /nfs/dbraw/zinc/79/90/57/415799057.db2.gz QGHUWBFQIYRVKE-BYNQJWBRSA-N 1 0 277.355 2.282 10 0 CEAERO C[C@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)c1cccc(Br)c1 ZINC000662477293 415858224 /nfs/dbraw/zinc/85/82/24/415858224.db2.gz LSVBSDMTLYYILQ-PEXQALLHSA-N 1 0 297.196 2.364 10 0 CEAERO CO[C@H](CNC(=O)C[C@H]([NH3+])C(C)C)C1CCCCC1 ZINC000662732517 415947203 /nfs/dbraw/zinc/94/72/03/415947203.db2.gz CTNRBKCUFIZGQC-UONOGXRCSA-N 1 0 270.417 2.071 10 0 CEAERO COc1cc(C[NH2+][C@@H](C)[C@@H]2CCCO2)cc2c1OCO2 ZINC000075782791 176783741 /nfs/dbraw/zinc/78/37/41/176783741.db2.gz CVFJPGCHJBENBA-JQWIXIFHSA-N 1 0 279.336 2.081 10 0 CEAERO C[NH2+]CC(=O)N[C@@H](C)c1ccc(OC)c(C(C)C)c1 ZINC000076368849 177006066 /nfs/dbraw/zinc/00/60/66/177006066.db2.gz NHOLIRYZMLDTEG-NSHDSACASA-N 1 0 264.369 2.215 10 0 CEAERO COc1cc(C)c([C@H](O)[C@H](C)[NH2+]C2CC2)cc1OC ZINC000076372338 177008338 /nfs/dbraw/zinc/00/83/38/177008338.db2.gz TZOCVPKAQJTRGL-ZUZCIYMTSA-N 1 0 265.353 2.186 10 0 CEAERO COc1cc(C)c([C@@H](O)[C@H](C)[NH2+]C2CC2)c(OC)c1 ZINC000076372355 177008350 /nfs/dbraw/zinc/00/83/50/177008350.db2.gz DMVCMWTUAAEOPF-BONVTDFDSA-N 1 0 265.353 2.186 10 0 CEAERO C[NH2+]CCC(=O)N[C@@H](C)c1cc(Cl)ccc1OC ZINC000076408960 177019869 /nfs/dbraw/zinc/01/98/69/177019869.db2.gz NYXJMAQBQRNHRL-VIFPVBQESA-N 1 0 270.760 2.135 10 0 CEAERO COc1ccc(Cl)cc1N(C)C(=O)CCCC[NH3+] ZINC000076408812 177019890 /nfs/dbraw/zinc/01/98/90/177019890.db2.gz AKJNEHTWTVRCCR-UHFFFAOYSA-N 1 0 270.760 2.440 10 0 CEAERO CC(C)NC(=O)[C@@H](CCC[NH3+])c1ccccc1F ZINC000076656671 177045811 /nfs/dbraw/zinc/04/58/11/177045811.db2.gz ZZIXOHSUGIBEGB-LBPRGKRZSA-N 1 0 252.333 2.173 10 0 CEAERO CCCNC(=O)[C@@H](CC[NH3+])c1ccc(Cl)cc1 ZINC000076658722 177047701 /nfs/dbraw/zinc/04/77/01/177047701.db2.gz ZBLMSAIPGWSING-LBPRGKRZSA-N 1 0 254.761 2.299 10 0 CEAERO COc1ccc(OC[C@@H](C[NH3+])c2cccn2C)cc1 ZINC000076670679 177053459 /nfs/dbraw/zinc/05/34/59/177053459.db2.gz SYLHFFNMDROXRF-GFCCVEGCSA-N 1 0 260.337 2.155 10 0 CEAERO CCN(Cc1cc(C(C)C)ccc1OC)C(=O)C[NH3+] ZINC000076680152 177058083 /nfs/dbraw/zinc/05/80/83/177058083.db2.gz PIENJPSZTZGWJI-UHFFFAOYSA-N 1 0 264.369 2.126 10 0 CEAERO CCCN(CC[NH3+])Cc1ccc2c(c1)OCCCO2 ZINC000076680203 177058100 /nfs/dbraw/zinc/05/81/00/177058100.db2.gz WTUHKFFEALHYKD-UHFFFAOYSA-N 1 0 264.369 2.019 10 0 CEAERO [NH3+]CCc1cncn1-c1ccc(Br)cc1 ZINC000076699535 177062160 /nfs/dbraw/zinc/06/21/60/177062160.db2.gz GAXKQOZMPPXHPU-UHFFFAOYSA-N 1 0 266.142 2.136 10 0 CEAERO CC(C)C[NH2+]C[C@H](O)c1cnn(-c2ccccc2)c1 ZINC000078626171 177361655 /nfs/dbraw/zinc/36/16/55/177361655.db2.gz ZXWHHYOWFINUFK-HNNXBMFYSA-N 1 0 259.353 2.151 10 0 CEAERO CC(C)[C@@H](NC(=O)C[N@H+](C)CC(C)(C)O)c1cccs1 ZINC000078778311 177386635 /nfs/dbraw/zinc/38/66/35/177386635.db2.gz BXSSBUVVQURKLR-CQSZACIVSA-N 1 0 298.452 2.264 10 0 CEAERO CC[NH2+]C[C@H]1CCCN1c1nc2ccccc2n1C ZINC000079049349 177421680 /nfs/dbraw/zinc/42/16/80/177421680.db2.gz WBTZIDHDAUYHCO-GFCCVEGCSA-N 1 0 258.369 2.152 10 0 CEAERO CCC[C@H](CC[NH3+])CCc1nc(C[C@H]2CCCO2)no1 ZINC000079232007 177452086 /nfs/dbraw/zinc/45/20/86/177452086.db2.gz HFXPARLAYBVVNF-QWHCGFSZSA-N 1 0 281.400 2.489 10 0 CEAERO CCC[C@@H](CC[NH3+])CCC(=O)NCc1cc(C)on1 ZINC000079241082 177454502 /nfs/dbraw/zinc/45/45/02/177454502.db2.gz TZENTBUXLYVMLQ-GFCCVEGCSA-N 1 0 267.373 2.145 10 0 CEAERO COCCOc1cc(C)ccc1NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000079516194 177512880 /nfs/dbraw/zinc/51/28/80/177512880.db2.gz FLDPIABHMXQJPH-INIZCTEOSA-N 1 0 292.379 2.101 10 0 CEAERO Cc1nn([C@H](c2ccncc2)[C@@H](C)[NH3+])cc1Cl ZINC000080009378 177594391 /nfs/dbraw/zinc/59/43/91/177594391.db2.gz RUQNFKRQRVSQHH-PELKAZGASA-N 1 0 250.733 2.177 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cc(C(C)(C)C)[nH]n1 ZINC000135894660 419442163 /nfs/dbraw/zinc/44/21/63/419442163.db2.gz LDJGFJGPOPGCBW-LDYMZIIASA-N 1 0 252.362 2.019 10 0 CEAERO COCc1ccccc1NC(=O)C[C@H]([NH3+])C(C)C ZINC000136326935 419445068 /nfs/dbraw/zinc/44/50/68/419445068.db2.gz GWRYJWODRKKDBP-LBPRGKRZSA-N 1 0 250.342 2.145 10 0 CEAERO CCOc1ccccc1NC(=O)C[C@@H]([NH3+])C(C)C ZINC000136293762 419445391 /nfs/dbraw/zinc/44/53/91/419445391.db2.gz CJRCGTPFBFCZQK-LLVKDONJSA-N 1 0 250.342 2.397 10 0 CEAERO COCCN(Cc1cccs1)C(=O)C[C@@H]([NH3+])C(C)C ZINC000136381893 419447686 /nfs/dbraw/zinc/44/76/86/419447686.db2.gz MIGPXCMWVCLNTP-CYBMUJFWSA-N 1 0 284.425 2.097 10 0 CEAERO Cc1ccc(C[C@@H](C)NC(=O)C[C@@H]([NH3+])C(C)C)s1 ZINC000136471104 419447855 /nfs/dbraw/zinc/44/78/55/419447855.db2.gz WVQUMGZEXJRNPJ-ZWNOBZJWSA-N 1 0 268.426 2.477 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)NCc1cccc2cccnc21 ZINC000136495430 419449579 /nfs/dbraw/zinc/44/95/79/419449579.db2.gz JKUHPHKPROEMTN-AWEZNQCLSA-N 1 0 271.364 2.224 10 0 CEAERO CCN1CC[C@@H]([NH2+]Cc2nc3c(s2)CCCC3)C1 ZINC000666466467 419680897 /nfs/dbraw/zinc/68/08/97/419680897.db2.gz FIGXKPQJFDNXDP-LLVKDONJSA-N 1 0 265.426 2.206 10 0 CEAERO O=C(OCc1ccccc1)N1CC[C@@]12CCCC[NH2+]2 ZINC000091690567 260164132 /nfs/dbraw/zinc/16/41/32/260164132.db2.gz ADVRPMHYMUXPSQ-OAHLLOKOSA-N 1 0 260.337 2.499 10 0 CEAERO CCC1CCC(NC(=O)[C@H]2C[C@@H](C)CC[NH2+]2)CC1 ZINC000127005774 264246345 /nfs/dbraw/zinc/24/63/45/264246345.db2.gz ZUBJOQAESFEWCG-GFJIZPEISA-N 1 0 252.402 2.460 10 0 CEAERO CO[C@H](CN(C)[C@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000425415264 264293060 /nfs/dbraw/zinc/29/30/60/264293060.db2.gz FPNUHYPSWFKIQK-ZYHUDNBSSA-N 1 0 257.374 2.073 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]CCC2CC2)C12CCOCC2 ZINC000186415282 270250064 /nfs/dbraw/zinc/25/00/64/270250064.db2.gz CXQXKZXWVOZJNL-ZIAGYGMSSA-N 1 0 253.386 2.350 10 0 CEAERO CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H](C[NH3+])C1 ZINC000238194083 265366052 /nfs/dbraw/zinc/36/60/52/265366052.db2.gz KOSDXZFHFRRRIA-LBPRGKRZSA-N 1 0 262.353 2.480 10 0 CEAERO CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000190128088 270267303 /nfs/dbraw/zinc/26/73/03/270267303.db2.gz DSUYGIHKSYRBHM-GJZGRUSLSA-N 1 0 297.443 2.071 10 0 CEAERO C[C@@H]([NH2+]C[C@@H](O)C1CCC1)c1nc2ccccc2n1C ZINC000316693670 270334806 /nfs/dbraw/zinc/33/48/06/270334806.db2.gz DIVYYUJHSHCRKZ-IAQYHMDHSA-N 1 0 273.380 2.385 10 0 CEAERO O[C@H](C[NH2+]C[C@H]1CCCC1(F)F)COCc1ccco1 ZINC000390888594 270340545 /nfs/dbraw/zinc/34/05/45/270340545.db2.gz ZTTZJXXSPJOPMP-VXGBXAGGSA-N 1 0 289.322 2.182 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]CCC2(CO)CC2)c1C ZINC000395865584 270348477 /nfs/dbraw/zinc/34/84/77/270348477.db2.gz GPCHVGGXGGLCSW-NSHDSACASA-N 1 0 265.401 2.333 10 0 CEAERO CC(=O)Nc1cccc([C@H](C)N[C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000396531985 270349200 /nfs/dbraw/zinc/34/92/00/270349200.db2.gz HPRNFAXJTPWZOM-OZVIIMIRSA-N 1 0 275.396 2.436 10 0 CEAERO O[C@@H]1CC[C@@H]2C[N@H+](Cc3nc4ccccc4o3)C[C@H]2C1 ZINC000399018284 270365961 /nfs/dbraw/zinc/36/59/61/270365961.db2.gz UGLIEFGULPDIJN-JHJVBQTASA-N 1 0 272.348 2.421 10 0 CEAERO CC(C)[C@H](C(=O)N[C@H](C)COCc1ccccc1)[C@@H](C)[NH3+] ZINC000399593970 270370746 /nfs/dbraw/zinc/37/07/46/270370746.db2.gz RRYCRAPSFHUGGK-FMKPAKJESA-N 1 0 292.423 2.327 10 0 CEAERO CCOC(=O)c1cnc2c(C)cccc2c1N1CC[NH2+]CC1 ZINC000053994917 273692652 /nfs/dbraw/zinc/69/26/52/273692652.db2.gz TUCPKRGREFVSNP-UHFFFAOYSA-N 1 0 299.374 2.130 10 0 CEAERO C[C@@H]([NH3+])CC(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000261893837 274235316 /nfs/dbraw/zinc/23/53/16/274235316.db2.gz UHEMWERGBKVZTF-MUWHJKNJSA-N 1 0 289.162 2.280 10 0 CEAERO C[C@H]1CCN(Cc2ccn(-c3ccccc3)n2)[C@@H](C[NH3+])C1 ZINC000235721108 274561937 /nfs/dbraw/zinc/56/19/37/274561937.db2.gz CLCMYWONKLISOD-WMLDXEAASA-N 1 0 284.407 2.432 10 0 CEAERO Cc1nc2ccccc2nc1N[C@H]1CCC[C@@H]1C[NH3+] ZINC000089106134 274852732 /nfs/dbraw/zinc/85/27/32/274852732.db2.gz JUCSGBUNJJBMHT-NEPJUHHUSA-N 1 0 256.353 2.478 10 0 CEAERO [NH3+][C@H]1CCCN(c2ncc(Cl)cc2Br)C1 ZINC000162813033 274962271 /nfs/dbraw/zinc/96/22/71/274962271.db2.gz XNJDUAAKJWSIJE-QMMMGPOBSA-N 1 0 290.592 2.425 10 0 CEAERO c1cc2c(cccc2C[N@@H+]2CC[C@@H](N3CCOCC3)C2)[nH]1 ZINC000121088833 275064688 /nfs/dbraw/zinc/06/46/88/275064688.db2.gz QPKHUDNTQXQDCX-OAHLLOKOSA-N 1 0 285.391 2.074 10 0 CEAERO Brc1cccnc1N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261586284 275375688 /nfs/dbraw/zinc/37/56/88/275375688.db2.gz QYUCSGNWUGYMLJ-ONGXEEELSA-N 1 0 282.185 2.032 10 0 CEAERO Brc1cnccc1N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261593417 275377706 /nfs/dbraw/zinc/37/77/06/275377706.db2.gz WUKDELZQTXVSNA-MWLCHTKSSA-N 1 0 282.185 2.032 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCc1ccccc1 ZINC000076421480 275594039 /nfs/dbraw/zinc/59/40/39/275594039.db2.gz ZXXLBVPLXGBOJU-OAHLLOKOSA-N 1 0 277.412 2.462 10 0 CEAERO CC[N@H+](C)[C@@H]1CCN(c2c(F)c(F)nc(F)c2F)C1 ZINC000302822473 276077383 /nfs/dbraw/zinc/07/73/83/276077383.db2.gz KRBASNMPYGZRJL-SSDOTTSWSA-N 1 0 277.265 2.168 10 0 CEAERO CC1(C)CN(C(=O)[C@@H]2CC23CCCC3)CC[C@@H]1[NH3+] ZINC000261957506 276125100 /nfs/dbraw/zinc/12/51/00/276125100.db2.gz KONSVGGGDSWHLR-RYUDHWBXSA-N 1 0 250.386 2.153 10 0 CEAERO CC1(C)CN(C(=O)[C@@H]2CC23CCCC3)CC[C@H]1[NH3+] ZINC000261957504 276125131 /nfs/dbraw/zinc/12/51/31/276125131.db2.gz KONSVGGGDSWHLR-NWDGAFQWSA-N 1 0 250.386 2.153 10 0 CEAERO CC1(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)CC[NH2+]CC1 ZINC000193376907 276170246 /nfs/dbraw/zinc/17/02/46/276170246.db2.gz MQTCWBXRUSLSOR-ZIAGYGMSSA-N 1 0 264.413 2.461 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCCC[C@H](C)C2)C1 ZINC000188480227 276176773 /nfs/dbraw/zinc/17/67/73/276176773.db2.gz HFQANORNPAHPJP-KBPBESRZSA-N 1 0 267.417 2.302 10 0 CEAERO CC1=CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000335319151 276181994 /nfs/dbraw/zinc/18/19/94/276181994.db2.gz QABQLZCBUPEYQE-CQSZACIVSA-N 1 0 250.386 2.428 10 0 CEAERO CCN1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])c2ccccc21 ZINC000261851891 276189092 /nfs/dbraw/zinc/18/90/92/276189092.db2.gz VWFOFOQCTQFYNU-UONOGXRCSA-N 1 0 287.407 2.377 10 0 CEAERO CC(C)(C)Cc1cc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)n[nH]1 ZINC000262259507 277148261 /nfs/dbraw/zinc/14/82/61/277148261.db2.gz GBGUNECIDVNFAO-WDEREUQCSA-N 1 0 278.400 2.454 10 0 CEAERO CC(C)(C)OC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000071482205 277181551 /nfs/dbraw/zinc/18/15/51/277181551.db2.gz NHFQVUKXYIVIDF-LBPRGKRZSA-N 1 0 254.374 2.386 10 0 CEAERO CC(C)(C)OC(=O)N1c2ccccc2CC[C@H]([NH3+])C1=O ZINC000238137553 277196741 /nfs/dbraw/zinc/19/67/41/277196741.db2.gz NXNBNRIAPCKSDV-NSHDSACASA-N 1 0 276.336 2.228 10 0 CEAERO CN1c2ccccc2[C@@H]([NH2+]C[C@H]2CCCCO2)CC1=O ZINC000042817230 277218054 /nfs/dbraw/zinc/21/80/54/277218054.db2.gz VBVKEHKPYFGXAG-OCCSQVGLSA-N 1 0 274.364 2.253 10 0 CEAERO CC(C)(C)c1ncsc1C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000157757176 277277806 /nfs/dbraw/zinc/27/78/06/277277806.db2.gz FLOPYEKYJCGLRC-ZJUUUORDSA-N 1 0 281.425 2.298 10 0 CEAERO C[C@@H]1C[C@H](CN2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)CCO1 ZINC000352605491 278011961 /nfs/dbraw/zinc/01/19/61/278011961.db2.gz NXGBTBQNDRKYHY-FPCVCCKLSA-N 1 0 266.429 2.360 10 0 CEAERO C[C@@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000184272902 278193548 /nfs/dbraw/zinc/19/35/48/278193548.db2.gz GXXJGUSMICQHFZ-UKRRQHHQSA-N 1 0 258.365 2.097 10 0 CEAERO C[C@@H]([NH3+])CC(=O)NCCC12CC3CC(CC(C3)C1)C2 ZINC000261732624 278305720 /nfs/dbraw/zinc/30/57/20/278305720.db2.gz HUMNEVFKZAWIPJ-UWJCENJNSA-N 1 0 264.413 2.446 10 0 CEAERO C[C@@H]1CCN(c2ccc(Br)cn2)[C@@H](C[NH3+])C1 ZINC000235348559 278557338 /nfs/dbraw/zinc/55/73/38/278557338.db2.gz QQUPEUFOYSCPEB-MWLCHTKSSA-N 1 0 284.201 2.408 10 0 CEAERO Cc1cc(C)c(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c(C)c1 ZINC000153615598 278658915 /nfs/dbraw/zinc/65/89/15/278658915.db2.gz CIDFEOVFLQXYMH-HNNXBMFYSA-N 1 0 290.407 2.014 10 0 CEAERO CC(C)CCC[C@H](C)NC(=O)CN1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000070178121 278756814 /nfs/dbraw/zinc/75/68/14/278756814.db2.gz ANIYEORRULSJGQ-OWCLPIDISA-N 1 0 297.487 2.377 10 0 CEAERO CCC[C@@]1(C)CCCN(C(=O)[C@@H]([NH3+])C2CCOCC2)C1 ZINC000261619985 278911129 /nfs/dbraw/zinc/91/11/29/278911129.db2.gz CDDDQMCTLNEOAG-HOCLYGCPSA-N 1 0 282.428 2.169 10 0 CEAERO C[C@@H]1C[C@@H]1[C@H](NC(=O)C1C[NH2+]C1)c1ccc(Cl)cc1 ZINC000263293353 278938750 /nfs/dbraw/zinc/93/87/50/278938750.db2.gz LWOQGCQLVCMASV-BIGNPOOSSA-N 1 0 278.783 2.373 10 0 CEAERO Cc1nc2ccccc2nc1N1C[C@H](C[NH3+])C[C@H]1C ZINC000228082740 279130916 /nfs/dbraw/zinc/13/09/16/279130916.db2.gz KDRDNYSPZYSHME-PWSUYJOCSA-N 1 0 256.353 2.112 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1COc2ccccc21 ZINC000113156327 279131812 /nfs/dbraw/zinc/13/18/12/279131812.db2.gz FKYBSECRASLUNX-HIFRSBDPSA-N 1 0 290.407 2.255 10 0 CEAERO CC(C)C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccccn1 ZINC000180597748 279194851 /nfs/dbraw/zinc/19/48/51/279194851.db2.gz QDYPTZIXCHKATH-HIFRSBDPSA-N 1 0 285.395 2.365 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN[C@@H]1CC(=O)N(C)c2ccccc21 ZINC000037213930 279336137 /nfs/dbraw/zinc/33/61/37/279336137.db2.gz OQXHZXWOSJAPQF-DZGCQCFKSA-N 1 0 287.407 2.168 10 0 CEAERO C[C@H](C[NH2+][C@H]1CCc2cc(F)ccc21)N1CCOCC1 ZINC000123220838 279353884 /nfs/dbraw/zinc/35/38/84/279353884.db2.gz JDVQYZBCLWNISN-WBMJQRKESA-N 1 0 278.371 2.123 10 0 CEAERO CC(C)[N@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000105918196 279372897 /nfs/dbraw/zinc/37/28/97/279372897.db2.gz JNPCMWORFJSYNE-ZDUSSCGKSA-N 1 0 268.426 2.462 10 0 CEAERO CC(C)N1C[C@@H](c2ccccc2)[C@@]2(CCC[NH2+]C2)C1=O ZINC000044137305 279550830 /nfs/dbraw/zinc/55/08/30/279550830.db2.gz ANBVRIIDNHGRHX-RDJZCZTQSA-N 1 0 272.392 2.391 10 0 CEAERO CCOc1ccc(CN(C)C(=O)C[C@H]2CCC[NH2+]C2)cc1 ZINC000054307658 279640435 /nfs/dbraw/zinc/64/04/35/279640435.db2.gz XKDSLJNIBUBKPK-OAHLLOKOSA-N 1 0 290.407 2.433 10 0 CEAERO [NH3+]C[C@H]1CCCCN1c1ncccc1Br ZINC000044559863 279648918 /nfs/dbraw/zinc/64/89/18/279648918.db2.gz GMGYVEHABJQKAR-SECBINFHSA-N 1 0 270.174 2.162 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000261821483 279653937 /nfs/dbraw/zinc/65/39/37/279653937.db2.gz STOZIOPCKQWQST-KBUPBQIOSA-N 1 0 264.413 2.446 10 0 CEAERO [NH3+][C@@H]1CC[C@H](C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000250637514 279679149 /nfs/dbraw/zinc/67/91/49/279679149.db2.gz GELWKKSABLSMBZ-ZDCRXTMVSA-N 1 0 278.318 2.351 10 0 CEAERO C[C@H]1CCN(c2ncnc3sccc32)[C@@H](C[NH3+])C1 ZINC000235679003 279731781 /nfs/dbraw/zinc/73/17/81/279731781.db2.gz SDCYYQKLMJAHAW-VHSXEESVSA-N 1 0 262.382 2.255 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2CO)C1(C)C ZINC000300413534 279875484 /nfs/dbraw/zinc/87/54/84/279875484.db2.gz AKJLSJVMSJSRFG-RFQIPJPRSA-N 1 0 255.402 2.331 10 0 CEAERO CCC[C@H](C(=O)Nc1ccc(C(=O)NCC)cc1)[NH+](C)C ZINC000161637592 280096247 /nfs/dbraw/zinc/09/62/47/280096247.db2.gz ORGSETZRMCAVCS-CQSZACIVSA-N 1 0 291.395 2.105 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000335503979 280113667 /nfs/dbraw/zinc/11/36/67/280113667.db2.gz DWGDGYIOKNHGRL-GXFFZTMASA-N 1 0 296.798 2.446 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1c1ncc(Br)cc1Cl ZINC000261534075 280114920 /nfs/dbraw/zinc/11/49/20/280114920.db2.gz LSHUNLLURVGNSU-IMTBSYHQSA-N 1 0 290.592 2.423 10 0 CEAERO CC(C)OC1CC([NH2+][C@H]2CN(C(C)C)C[C@@H]2C)C1 ZINC000185853404 280127426 /nfs/dbraw/zinc/12/74/26/280127426.db2.gz WDNZEILQFJZZHW-PPWQZUPISA-N 1 0 254.418 2.261 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1C[C@@H](C)OC(C)(C)C1 ZINC000194683141 280192460 /nfs/dbraw/zinc/19/24/60/280192460.db2.gz RXSLCDKRMNABKG-ZIAGYGMSSA-N 1 0 299.459 2.172 10 0 CEAERO CC[C@@H](O)C[NH+]1CCN([C@H](C)c2ccccc2C)CC1 ZINC000133974678 280208608 /nfs/dbraw/zinc/20/86/08/280208608.db2.gz YDKBJJBPURHYOH-HZPDHXFCSA-N 1 0 276.424 2.445 10 0 CEAERO CC(C)[C@H](C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000174744417 280219822 /nfs/dbraw/zinc/21/98/22/280219822.db2.gz LRYNDYGKEDQKDB-FUDCBSFHSA-N 1 0 267.417 2.345 10 0 CEAERO C[C@@H]1CC[C@H](C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)O1 ZINC000246381557 280290303 /nfs/dbraw/zinc/29/03/03/280290303.db2.gz OSUQCDDQMVCJQP-LUYZLQTOSA-N 1 0 292.423 2.029 10 0 CEAERO CSC[C@@H]1CCCN1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246602410 280303093 /nfs/dbraw/zinc/30/30/93/280303093.db2.gz DDPNPNFLTGYDEQ-RDBSUJKOSA-N 1 0 299.484 2.252 10 0 CEAERO CC[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](C)C2)CC[N@@H+]1C[C@H](C)O ZINC000246973066 280316022 /nfs/dbraw/zinc/31/60/22/280316022.db2.gz UBPRQXYDXZHJPN-CAOSSQGBSA-N 1 0 296.455 2.116 10 0 CEAERO CC(C)[C@H](C)NC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246997707 280317079 /nfs/dbraw/zinc/31/70/79/280317079.db2.gz KNGZWTUVMLMTNP-YNEHKIRRSA-N 1 0 255.406 2.203 10 0 CEAERO Cc1cc(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)cc(C)c1F ZINC000335507057 280334284 /nfs/dbraw/zinc/33/42/84/280334284.db2.gz IVRAVWFZSCTFCL-ZYHUDNBSSA-N 1 0 250.317 2.004 10 0 CEAERO COC[C@H](C)C[N@H+]1[C@H](C(=O)OC)C[C@@H]2CCCC[C@@H]21 ZINC000249182104 280387831 /nfs/dbraw/zinc/38/78/31/280387831.db2.gz IVMHBIVGURSHQB-RFGFWPKPSA-N 1 0 269.385 2.075 10 0 CEAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](CC[C@H]3CCCO3)C2)n1 ZINC000249439309 280397352 /nfs/dbraw/zinc/39/73/52/280397352.db2.gz SQWKSMFUYBGUAC-JKSUJKDBSA-N 1 0 292.427 2.176 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CC[C@H]1CC[C@H](C)O1 ZINC000253550678 280456501 /nfs/dbraw/zinc/45/65/01/280456501.db2.gz WCILARVLOHDUJG-RRFJBIMHSA-N 1 0 284.444 2.427 10 0 CEAERO Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3ncnn3C1)CC2 ZINC000180586169 281097677 /nfs/dbraw/zinc/09/76/77/281097677.db2.gz MWSLWXYTBBRHBT-ZFWWWQNUSA-N 1 0 268.364 2.178 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc2nccn2c1 ZINC000175045560 281192499 /nfs/dbraw/zinc/19/24/99/281192499.db2.gz HFUDOWSZBQZRTG-LSDHHAIUSA-N 1 0 298.390 2.033 10 0 CEAERO Cc1ccnc(N2CC[C@H]([C@H](C)[NH3+])C2)c1Br ZINC000261534723 281462664 /nfs/dbraw/zinc/46/26/64/281462664.db2.gz TWWJWOAYNUCISU-UWVGGRQHSA-N 1 0 284.201 2.326 10 0 CEAERO CC1CCC(N(C(=O)[C@H]2CC[NH2+]C2)C2CC2)CC1 ZINC000236783952 281733483 /nfs/dbraw/zinc/73/34/83/281733483.db2.gz URLNNANEBILLQC-CPCZMJQVSA-N 1 0 250.386 2.166 10 0 CEAERO CN(C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)C1C[NH2+]C1 ZINC000168091133 281831236 /nfs/dbraw/zinc/83/12/36/281831236.db2.gz PLEPCVVSUGAMLL-JHJVBQTASA-N 1 0 250.386 2.023 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Cc1ccc(F)c(F)c1 ZINC000154659222 289152288 /nfs/dbraw/zinc/15/22/88/289152288.db2.gz FJDFRYFOGJUYTG-CYBMUJFWSA-N 1 0 296.361 2.450 10 0 CEAERO C[C@H]1CC[C@@H](C(=O)NC2CC[NH+](C3CCCCC3)CC2)O1 ZINC000159141750 289246783 /nfs/dbraw/zinc/24/67/83/289246783.db2.gz YDBNZXNEWNIXJC-BBRMVZONSA-N 1 0 294.439 2.467 10 0 CEAERO Cn1c(C[NH2+]C[C@@H](O)C(C)(C)C)nc2ccccc21 ZINC000304007561 289269944 /nfs/dbraw/zinc/26/99/44/289269944.db2.gz BBLCDPYZRWXONY-CYBMUJFWSA-N 1 0 261.369 2.070 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]CCc2cncn2C)c1C ZINC000401859243 289288991 /nfs/dbraw/zinc/28/89/91/289288991.db2.gz WYFYJXYVTNTRDZ-NSHDSACASA-N 1 0 275.400 2.147 10 0 CEAERO C[C@H](O)C[N@@H+]1CCN([C@@H](C)c2c(F)cccc2F)C[C@@H]1C ZINC000247558814 290116543 /nfs/dbraw/zinc/11/65/43/290116543.db2.gz FTPPGVAFNLFNEJ-AVGNSLFASA-N 1 0 298.377 2.413 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCC[C@@H]1c1ccncc1 ZINC000089450988 295271284 /nfs/dbraw/zinc/27/12/84/295271284.db2.gz BMPAPRRQDAEHGN-RBSFLKMASA-N 1 0 273.380 2.120 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000128704576 295300326 /nfs/dbraw/zinc/30/03/26/295300326.db2.gz IZFPFTGPDLWUJC-YIKOMLBNSA-N 1 0 294.345 2.454 10 0 CEAERO Nc1ccc2c(c1)C=[NH+]CCN2C(=O)c1ccccc1 ZINC000073642189 295357389 /nfs/dbraw/zinc/35/73/89/295357389.db2.gz JGMXRZXUGCWXPE-UHFFFAOYSA-N 1 0 265.316 2.348 10 0 CEAERO Nc1ccc2c(c1)C=[NH+]CCN2C(=O)c1ccccc1F ZINC000073642209 295357483 /nfs/dbraw/zinc/35/74/83/295357483.db2.gz NLZDOCKJGRXYPG-UHFFFAOYSA-N 1 0 283.306 2.487 10 0 CEAERO COc1ccccc1C[C@](C)([NH2+]C1CCCCC1)C(N)=O ZINC000037969936 295366573 /nfs/dbraw/zinc/36/65/73/295366573.db2.gz VHNWTULRZZTBNR-KRWDZBQOSA-N 1 0 290.407 2.404 10 0 CEAERO O=C(N1CCC2(CCC2)C1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262192400 295567209 /nfs/dbraw/zinc/56/72/09/295567209.db2.gz MDNGXRZHMNWQGC-XJKSGUPXSA-N 1 0 262.397 2.169 10 0 CEAERO C[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000191143128 297560340 /nfs/dbraw/zinc/56/03/40/297560340.db2.gz UECXMTHYQKOUCD-XHSDSOJGSA-N 1 0 294.439 2.278 10 0 CEAERO Cc1noc(C(C)C)c1C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000564837317 298853374 /nfs/dbraw/zinc/85/33/74/298853374.db2.gz RMPMPPXDFLKEHE-LBPRGKRZSA-N 1 0 279.384 2.321 10 0 CEAERO C[C@H](CS(C)(=O)=O)[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000226897275 298871209 /nfs/dbraw/zinc/87/12/09/298871209.db2.gz LZGCKKBLMNZUND-IJLUTSLNSA-N 1 0 261.431 2.224 10 0 CEAERO NC(=O)[C@]1([NH2+]C2CCCCC2)CCOc2ccccc21 ZINC000037969846 303337885 /nfs/dbraw/zinc/33/78/85/303337885.db2.gz MWWDGCPRPXMKKQ-INIZCTEOSA-N 1 0 274.364 2.072 10 0 CEAERO CCCC[C@H](COC)NC(=O)[C@H](CCC)[NH+](C)C ZINC000161954741 312645738 /nfs/dbraw/zinc/64/57/38/312645738.db2.gz YBHDSCJORQDMHV-OLZOCXBDSA-N 1 0 258.406 2.038 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)N[C@@H]2CCc3cc(F)ccc32)C1 ZINC000170833832 312664652 /nfs/dbraw/zinc/66/46/52/312664652.db2.gz IEFJSMGCZSDLRB-DZGCQCFKSA-N 1 0 291.370 2.159 10 0 CEAERO CCCCOC[C@H](O)C[NH2+][C@H](C1CC1)C1CCC1 ZINC000325022480 312836710 /nfs/dbraw/zinc/83/67/10/312836710.db2.gz IZRMHIWPOVHMAM-CABCVRRESA-N 1 0 255.402 2.332 10 0 CEAERO CCCCOC[C@H](O)CNc1ccc2c(c1)C[N@@H+](C)C2 ZINC000516050641 313080355 /nfs/dbraw/zinc/08/03/55/313080355.db2.gz XGACYBRFKLVJDK-MRXNPFEDSA-N 1 0 278.396 2.222 10 0 CEAERO C[C@@H]1C[C@@H](C[NH2+]C[C@H](O)CC(F)(F)F)C[C@H](C)O1 ZINC000563002597 313712129 /nfs/dbraw/zinc/71/21/29/313712129.db2.gz HTRVVWGHXOZHDQ-LMLFDSFASA-N 1 0 269.307 2.093 10 0 CEAERO CCn1cc(C2CC[NH+](C[C@@H](C)COC)CC2)cn1 ZINC000187116047 321756570 /nfs/dbraw/zinc/75/65/70/321756570.db2.gz ZLTCYPDUVXAJTE-CYBMUJFWSA-N 1 0 265.401 2.365 10 0 CEAERO [NH3+]CC[C@H](Nc1ncc(Cl)cc1F)C(F)F ZINC000383278735 321847012 /nfs/dbraw/zinc/84/70/12/321847012.db2.gz JATOQYONUZDDPD-ZETCQYMHSA-N 1 0 253.655 2.269 10 0 CEAERO Cc1cc(C[NH2+][C@@H](C)COCc2ccccc2)nn1C ZINC000414359639 533716245 /nfs/dbraw/zinc/71/62/45/533716245.db2.gz OYRWCIBVBYWJDN-ZDUSSCGKSA-N 1 0 273.380 2.423 10 0 CEAERO CC(C)[NH2+][C@@H](CCOc1ccccc1C(C)C)C(N)=O ZINC000062550914 519734665 /nfs/dbraw/zinc/73/46/65/519734665.db2.gz VZJOUWJOIBIOKG-AWEZNQCLSA-N 1 0 278.396 2.431 10 0 CEAERO CC(C)C[NH2+]Cc1cnc(N2CCOC[C@@H]2C)s1 ZINC000054903535 519748250 /nfs/dbraw/zinc/74/82/50/519748250.db2.gz AIUQYWODGYYSNQ-NSHDSACASA-N 1 0 269.414 2.114 10 0 CEAERO CC(C)COCCCNC(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050941390 519752941 /nfs/dbraw/zinc/75/29/41/519752941.db2.gz IJDLBLNFYAARFV-CQSZACIVSA-N 1 0 270.417 2.088 10 0 CEAERO CCC[NH2+]CCCN1c2cccc(Cl)c2C(=O)C1=O ZINC000048785493 519912901 /nfs/dbraw/zinc/91/29/01/519912901.db2.gz CGKCBSRBDXPLLL-UHFFFAOYSA-N 1 0 280.755 2.259 10 0 CEAERO CC[NH2+]CCC(=O)Nc1cc(C)nc2ccccc21 ZINC000061286905 519917348 /nfs/dbraw/zinc/91/73/48/519917348.db2.gz FZHSRSALRFHUAA-UHFFFAOYSA-N 1 0 257.337 2.481 10 0 CEAERO CCC[NH2+]CCOc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000051869343 519918887 /nfs/dbraw/zinc/91/88/87/519918887.db2.gz KGJCTCUXECNCBS-UHFFFAOYSA-N 1 0 293.335 2.061 10 0 CEAERO CCC[NH2+]CCOc1ncccc1Br ZINC000051869578 519918906 /nfs/dbraw/zinc/91/89/06/519918906.db2.gz LWXQYBHFMWUTNV-UHFFFAOYSA-N 1 0 259.147 2.223 10 0 CEAERO CC[NH2+]CCS(=O)(=O)Nc1c(C)cccc1C(C)C ZINC000049641155 519926416 /nfs/dbraw/zinc/92/64/16/519926416.db2.gz GSTIHSFFRXUDPO-UHFFFAOYSA-N 1 0 284.425 2.470 10 0 CEAERO CCC[NH2+]C[C@@H]1CC[C@H](CN(CC)CC(F)(F)F)O1 ZINC000052503164 519927349 /nfs/dbraw/zinc/92/73/49/519927349.db2.gz QPJBVXSXBKMNNJ-NWDGAFQWSA-N 1 0 282.350 2.418 10 0 CEAERO CCC[NH2+]Cc1cc(COCCOC(C)C)on1 ZINC000052627331 519946154 /nfs/dbraw/zinc/94/61/54/519946154.db2.gz HENDXHJSVCTVRT-UHFFFAOYSA-N 1 0 256.346 2.116 10 0 CEAERO CCC[NH2+]Cc1ccoc1CN1CCOC(C)(C)C1 ZINC000052481779 519960006 /nfs/dbraw/zinc/96/00/06/519960006.db2.gz OKTSDLZESIOGRF-UHFFFAOYSA-N 1 0 266.385 2.390 10 0 CEAERO CCC[NH2+]Cc1cnn([C@@H]2CCCC[C@@H]2O)c1C ZINC000054600037 519965530 /nfs/dbraw/zinc/96/55/30/519965530.db2.gz QNFATJYQOASRJD-KGLIPLIRSA-N 1 0 251.374 2.167 10 0 CEAERO CCC[NH2+][C@@H](CC[N@H+](CC)C1CCCCC1)C(=O)[O-] ZINC000062439117 519995249 /nfs/dbraw/zinc/99/52/49/519995249.db2.gz LIQGLFVLJULCFE-AWEZNQCLSA-N 1 0 270.417 2.484 10 0 CEAERO CCCN[C@@H](CC[N@@H+]1CCCC(C)(C)C1)C(=O)OCC ZINC000069517040 519999409 /nfs/dbraw/zinc/99/94/09/519999409.db2.gz VPHSSWNWROCJHZ-AWEZNQCLSA-N 1 0 284.444 2.430 10 0 CEAERO CC[NH2+]Cc1ccc(O[C@@H](CC)C(N)=O)c(Cl)c1 ZINC000061676016 519999937 /nfs/dbraw/zinc/99/99/37/519999937.db2.gz UTNLXEZSIQCEKQ-NSHDSACASA-N 1 0 270.760 2.092 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)NCc1ccc(Cl)cc1 ZINC000061269281 520064658 /nfs/dbraw/zinc/06/46/58/520064658.db2.gz ALTXLAIAUMZJHD-JTQLQIEISA-N 1 0 254.761 2.344 10 0 CEAERO CC[NH2+][C@@H](CCCS(C)(=O)=O)c1cccs1 ZINC000063016788 520083594 /nfs/dbraw/zinc/08/35/94/520083594.db2.gz CXUWRVZLCOIODB-JTQLQIEISA-N 1 0 261.412 2.224 10 0 CEAERO CCC[NH2+][C@H](CN(CC)C[C@@H]1CCCO1)C1CC1 ZINC000069074226 520082204 /nfs/dbraw/zinc/08/22/04/520082204.db2.gz QYVMVEMJLYZTDV-LSDHHAIUSA-N 1 0 254.418 2.266 10 0 CEAERO CCOC[C@@H](O)COc1ccc(Cl)cc1[C@@H](C)[NH3+] ZINC000069275791 520106930 /nfs/dbraw/zinc/10/69/30/520106930.db2.gz JEESHYYKPZWGMI-MWLCHTKSSA-N 1 0 273.760 2.136 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N(C)CCOc1cccc(F)c1 ZINC000061272427 520162451 /nfs/dbraw/zinc/16/24/51/520162451.db2.gz HRTANLDTLKMVSO-GFCCVEGCSA-N 1 0 282.359 2.051 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N1CCc2sccc2C1 ZINC000061268742 520164701 /nfs/dbraw/zinc/16/47/01/520164701.db2.gz LLDDELSHLZZRKU-SNVBAGLBSA-N 1 0 252.383 2.021 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1cccc(NC(=O)CC)c1 ZINC000061273625 520170660 /nfs/dbraw/zinc/17/06/60/520170660.db2.gz CBNUJIHSPOCFMJ-LLVKDONJSA-N 1 0 277.368 2.362 10 0 CEAERO CC[NH2+][C@H](C)[C@@H](O)c1ccccc1Br ZINC000069939789 520176358 /nfs/dbraw/zinc/17/63/58/520176358.db2.gz HEFCMUVJYVFNEU-LDYMZIIASA-N 1 0 258.159 2.481 10 0 CEAERO CC/C=C/CC[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000184712261 520200198 /nfs/dbraw/zinc/20/01/98/520200198.db2.gz KAHUTMBDBGGHCP-ZYOFXKKJSA-N 1 0 282.409 2.341 10 0 CEAERO CC1(C)COCCN1[C@H](C[NH3+])CCc1ccccc1 ZINC000061624884 520506647 /nfs/dbraw/zinc/50/66/47/520506647.db2.gz CSHQGFVARFCFCG-HNNXBMFYSA-N 1 0 262.397 2.057 10 0 CEAERO CC[NH+](CC)CCCNc1nc(Cl)nc(Cl)n1 ZINC000061518173 520623535 /nfs/dbraw/zinc/62/35/35/520623535.db2.gz ORDDLWAULOWPHP-UHFFFAOYSA-N 1 0 278.187 2.322 10 0 CEAERO CCC[C@@]1(C(=O)N(C)C[C@H]2CCCCO2)CCC[NH2+]C1 ZINC000062859787 520941196 /nfs/dbraw/zinc/94/11/96/520941196.db2.gz KTCLCCAMJBESFZ-GDBMZVCRSA-N 1 0 282.428 2.184 10 0 CEAERO CCCC[C@@H](CC)COCC[C@H]([NH2+]CCC)C(N)=O ZINC000062543002 521036937 /nfs/dbraw/zinc/03/69/37/521036937.db2.gz BMXMNKVWCGDBCF-KGLIPLIRSA-N 1 0 272.433 2.463 10 0 CEAERO CCN(CC[NH2+][C@@H](C)COC)c1ccccc1F ZINC000053425994 521078818 /nfs/dbraw/zinc/07/88/18/521078818.db2.gz OOCAVXODZLRVLF-LBPRGKRZSA-N 1 0 254.349 2.277 10 0 CEAERO CCOC(=O)[C@H](CC[N@H+](CC)C(C)C)NC(C)C ZINC000062445856 521243007 /nfs/dbraw/zinc/24/30/07/521243007.db2.gz CJNXEJAYFNFBOB-ZDUSSCGKSA-N 1 0 258.406 2.037 10 0 CEAERO CCCc1nc(N(CC)[C@H](C)COC)sc1C[NH3+] ZINC000054998670 521530843 /nfs/dbraw/zinc/53/08/43/521530843.db2.gz OIPWCLDOFIMEMW-SNVBAGLBSA-N 1 0 271.430 2.416 10 0 CEAERO CCCc1nc(N(CC)CCOC)sc1C[NH2+]C ZINC000055000774 521530929 /nfs/dbraw/zinc/53/09/29/521530929.db2.gz GGZAGMOGZJQAHA-UHFFFAOYSA-N 1 0 271.430 2.288 10 0 CEAERO CCCc1nc(N2CCOC[C@H]2C)sc1C[NH2+]C ZINC000054997365 521531999 /nfs/dbraw/zinc/53/19/99/521531999.db2.gz VRTIUTBSKGNRRA-SNVBAGLBSA-N 1 0 269.414 2.040 10 0 CEAERO CCCc1nc(N2CCOC[C@@H]2CC)sc1C[NH3+] ZINC000054997902 521533032 /nfs/dbraw/zinc/53/30/32/521533032.db2.gz MUWCTYSIIWYQOE-JTQLQIEISA-N 1 0 269.414 2.170 10 0 CEAERO CCOc1ccccc1[C@@](O)([C@H](C)[NH3+])C(F)(F)F ZINC000062784687 521580407 /nfs/dbraw/zinc/58/04/07/521580407.db2.gz KOZTTWWKRXAVOS-KWQFWETISA-N 1 0 263.259 2.182 10 0 CEAERO CCS(=O)(=O)CC[C@]1(C[NH3+])CCCc2ccccc21 ZINC000054637472 521645907 /nfs/dbraw/zinc/64/59/07/521645907.db2.gz KARXEDSNNDVWMI-HNNXBMFYSA-N 1 0 281.421 2.044 10 0 CEAERO CCCN(CC[NH2+][C@@H](C)[C@@H]1CCCO1)CC(F)(F)F ZINC000053390603 521661647 /nfs/dbraw/zinc/66/16/47/521661647.db2.gz DGMIYKTYEZTOEV-RYUDHWBXSA-N 1 0 282.350 2.418 10 0 CEAERO CCNC(=O)[C@@H](C)Oc1cc(F)ccc1[C@@H](C)[NH2+]CC ZINC000062747029 521743922 /nfs/dbraw/zinc/74/39/22/521743922.db2.gz QLQKCXONWDSHEG-GHMZBOCLSA-N 1 0 282.359 2.400 10 0 CEAERO C[NH2+]C(C)(C)C(=O)Nc1cc(OC)ccc1OC(F)F 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C[NH2+][C@@H](C)c1ccc(F)cc1OCCC(=O)NC(C)C ZINC000062746307 522333351 /nfs/dbraw/zinc/33/33/51/522333351.db2.gz KKTLBUJGWPZYMO-NSHDSACASA-N 1 0 282.359 2.400 10 0 CEAERO C[NH2+][C@H]1CCO[C@H](c2ccc(OC)c(OC)c2)C1 ZINC000070340563 522505506 /nfs/dbraw/zinc/50/55/06/522505506.db2.gz WRACNSYXIDQWTP-AAEUAGOBSA-N 1 0 251.326 2.143 10 0 CEAERO C[C@@H](Sc1ccccc1)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000237363045 534011237 /nfs/dbraw/zinc/01/12/37/534011237.db2.gz UYPSENCCLMMGEO-MFKMUULPSA-N 1 0 264.394 2.021 10 0 CEAERO C[C@H](Nc1ccc(N2CCCC2)nc1)[C@H]1CC[NH2+]C1 ZINC000400534028 534025010 /nfs/dbraw/zinc/02/50/10/534025010.db2.gz SNTRSHWNVZYLBG-STQMWFEESA-N 1 0 260.385 2.092 10 0 CEAERO COC(=O)Nc1cccc(N[C@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000400469041 534200195 /nfs/dbraw/zinc/20/01/95/534200195.db2.gz UPDMPCXOOYLIGM-GHMZBOCLSA-N 1 0 263.341 2.275 10 0 CEAERO CC[NH2+][C@](CC)(CC(=O)OC)c1ccc(OC)cc1 ZINC000087553781 517670728 /nfs/dbraw/zinc/67/07/28/517670728.db2.gz ZPLOMBOGQZNJIE-OAHLLOKOSA-N 1 0 265.353 2.473 10 0 CEAERO C[C@H]1C[C@H]([NH3+])CN(Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000094552742 518184895 /nfs/dbraw/zinc/18/48/95/518184895.db2.gz XKGJRVBYPNQTJF-JQWIXIFHSA-N 1 0 296.798 2.280 10 0 CEAERO C(CN1CCC[C@@H]2CCCC[C@H]21)[NH2+]C1CCOCC1 ZINC000062767717 518388761 /nfs/dbraw/zinc/38/87/61/518388761.db2.gz LZMPPGQORBDFNA-GOEBONIOSA-N 1 0 266.429 2.410 10 0 CEAERO CC(=O)c1sc(N2CCC([NH+](C)C)CC2)nc1C ZINC000054862205 518497385 /nfs/dbraw/zinc/49/73/85/518497385.db2.gz RZVQYKWWMWGPEB-UHFFFAOYSA-N 1 0 267.398 2.185 10 0 CEAERO CC(C)(C)C1CCC(C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000054668151 518603080 /nfs/dbraw/zinc/60/30/80/518603080.db2.gz QZHJEJSEFXPBSV-WXRRBKDZSA-N 1 0 252.402 2.399 10 0 CEAERO CC(C)(C)[NH+]1CCN(C(=O)CCc2ccccc2N)CC1 ZINC000048946400 518709195 /nfs/dbraw/zinc/70/91/95/518709195.db2.gz OTASEVJULGAISV-UHFFFAOYSA-N 1 0 289.423 2.144 10 0 CEAERO CC(C)(C)[NH+]1CCN(c2nc(C3CC3)c(CO)s2)CC1 ZINC000069183111 518712635 /nfs/dbraw/zinc/71/26/35/518712635.db2.gz JXIDDWSZXRFPLY-UHFFFAOYSA-N 1 0 295.452 2.433 10 0 CEAERO CC(C)(C)[NH2+]CCc1nnc(-c2cccc(O)c2)o1 ZINC000050620689 518758681 /nfs/dbraw/zinc/75/86/81/518758681.db2.gz WMBSFZJPNJPUCP-UHFFFAOYSA-N 1 0 261.325 2.373 10 0 CEAERO CC(C)(C)[NH2+]C[C@@](C)(O)c1ccc2c(c1)OCCCO2 ZINC000055033307 518761169 /nfs/dbraw/zinc/76/11/69/518761169.db2.gz ATCDANZNULTHRI-MRXNPFEDSA-N 1 0 279.380 2.444 10 0 CEAERO CC(C)(C[NH3+])c1ccc(NC(=O)[C@H]2CCCCO2)cc1 ZINC000050958430 519233418 /nfs/dbraw/zinc/23/34/18/519233418.db2.gz LSVFNEFALXWHRZ-CQSZACIVSA-N 1 0 276.380 2.431 10 0 CEAERO CC(C)(C[NH3+])NC(=O)[C@H]1CCCO[C@H]1c1ccccc1 ZINC000063020151 519233441 /nfs/dbraw/zinc/23/34/41/519233441.db2.gz NAEHJBOJPFRJNK-KBPBESRZSA-N 1 0 276.380 2.008 10 0 CEAERO CC(C)C[C@@H]1C[NH2+][C@@H](C(C)C)CN1Cc1cnn(C)c1 ZINC000068703446 519273258 /nfs/dbraw/zinc/27/32/58/519273258.db2.gz RHAVRGGKOHYJDI-HZPDHXFCSA-N 1 0 278.444 2.265 10 0 CEAERO CC(C)([NH3+])CCC(=O)Nc1ccccc1Cn1cccn1 ZINC000070086980 519299876 /nfs/dbraw/zinc/29/98/76/519299876.db2.gz BFTBMHFRPXSYHA-UHFFFAOYSA-N 1 0 286.379 2.387 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cnc(N)c(Cl)c1 ZINC000050707876 519340048 /nfs/dbraw/zinc/34/00/48/519340048.db2.gz JAOBQHNCTGDUMT-LLVKDONJSA-N 1 0 298.818 2.023 10 0 CEAERO CC(C)[N@H+](C)CCNc1ncc(Br)cc1N ZINC000054111947 519626479 /nfs/dbraw/zinc/62/64/79/519626479.db2.gz UPXNKQFORKYTCN-UHFFFAOYSA-N 1 0 287.205 2.178 10 0 CEAERO CC(C)N(CC(F)(F)F)C(=O)[C@@H]1[NH2+]CCC[C@H]1C ZINC000051794572 519638238 /nfs/dbraw/zinc/63/82/38/519638238.db2.gz BJASUZJCGSGXLB-NXEZZACHSA-N 1 0 266.307 2.174 10 0 CEAERO CC(C)N(CC(F)(F)F)c1ccnc(C(N)=[NH2+])c1 ZINC000061814309 519638895 /nfs/dbraw/zinc/63/88/95/519638895.db2.gz CSSOYQQZTGYAEL-UHFFFAOYSA-N 1 0 260.263 2.143 10 0 CEAERO CC(C)N(CCCO)c1cc(Cl)ccc1C[NH3+] ZINC000062786967 519645120 /nfs/dbraw/zinc/64/51/20/519645120.db2.gz WJXIHBBGLFUMFB-UHFFFAOYSA-N 1 0 256.777 2.396 10 0 CEAERO CC(C)[NH+](CCNc1ncnc(Cl)c1N)C(C)C ZINC000062362328 519648679 /nfs/dbraw/zinc/64/86/79/519648679.db2.gz BYWUQQRIKOKHBS-UHFFFAOYSA-N 1 0 271.796 2.243 10 0 CEAERO CC(C)[N@H+](CCn1cc(N)cn1)Cc1cccs1 ZINC000050614819 519651425 /nfs/dbraw/zinc/65/14/25/519651425.db2.gz VNDQLFKZLXXTIS-UHFFFAOYSA-N 1 0 264.398 2.437 10 0 CEAERO CC(C)N1CCO[C@@H](C[NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000070288633 519685177 /nfs/dbraw/zinc/68/51/77/519685177.db2.gz JSVSUDNOTOUFQP-KBPBESRZSA-N 1 0 268.788 2.449 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CC[C@@H]2CCCCO2)C1 ZINC000155439143 519690847 /nfs/dbraw/zinc/69/08/47/519690847.db2.gz MHVFZFLSXOMLIO-ILXRZTDVSA-N 1 0 282.428 2.181 10 0 CEAERO CC(C)[NH2+]CCCN1C(=O)CCc2ccc(F)cc21 ZINC000048784711 519720443 /nfs/dbraw/zinc/72/04/43/519720443.db2.gz IHZOEIWIXGMQMS-UHFFFAOYSA-N 1 0 264.344 2.493 10 0 CEAERO CC(C)[NH2+]CCCCOc1ccc(S(C)(=O)=O)cc1 ZINC000052701949 519720540 /nfs/dbraw/zinc/72/05/40/519720540.db2.gz QBJQTLZPONTZJB-UHFFFAOYSA-N 1 0 285.409 2.247 10 0 CEAERO CC(C)[NH2+]CCS(=O)(=O)Nc1ccc(Cl)cc1 ZINC000049641617 519722002 /nfs/dbraw/zinc/72/20/02/519722002.db2.gz DTOVYQBIDNHACC-UHFFFAOYSA-N 1 0 276.789 2.080 10 0 CEAERO CC(=O)Nc1ccc(NC(=O)CC[C@H]2CCC[NH2+]2)cc1 ZINC000261745518 519722258 /nfs/dbraw/zinc/72/22/58/519722258.db2.gz MIOPRJOJNPWJCS-GFCCVEGCSA-N 1 0 275.352 2.116 10 0 CEAERO CC(C)[NH2+]CCc1nnc(Cc2ccsc2)o1 ZINC000050620249 519722688 /nfs/dbraw/zinc/72/26/88/519722688.db2.gz DWALZQPOZJUOIY-UHFFFAOYSA-N 1 0 251.355 2.262 10 0 CEAERO CC(C)[NH2+]C[C@@H]1CCN(c2cnn(C(C)C)c2)C1 ZINC000061683447 519723444 /nfs/dbraw/zinc/72/34/44/519723444.db2.gz UWVJSUVUZNFXQL-ZDUSSCGKSA-N 1 0 250.390 2.288 10 0 CEAERO CC(C)[NH2+]C[C@H](C)CN1CCN(c2ccccc2)CC1 ZINC000052417299 519724268 /nfs/dbraw/zinc/72/42/68/519724268.db2.gz RPWNDODFGBCQFJ-INIZCTEOSA-N 1 0 275.440 2.443 10 0 CEAERO CC(C)C[NH+]1CCN(CC[C@@H](O)C(C)(C)C)CC1 ZINC000055082360 519726192 /nfs/dbraw/zinc/72/61/92/519726192.db2.gz SEYUJCQGRBWXOR-CQSZACIVSA-N 1 0 256.434 2.057 10 0 CEAERO CC(C)C[NH+]1CCN(C[C@@H]2C[C@H](C)CC[C@@H]2O)CC1 ZINC000055082312 519726510 /nfs/dbraw/zinc/72/65/10/519726510.db2.gz VOBRCANCOZCSEY-PMPSAXMXSA-N 1 0 268.445 2.057 10 0 CEAERO CC(C)[NH2+][C@@](C)(CCO[C@H]1CCCC[C@@H]1C)C(N)=O ZINC000045477726 519736215 /nfs/dbraw/zinc/73/62/15/519736215.db2.gz JTHPJTLVWPLOMZ-YDHLFZDLSA-N 1 0 270.417 2.214 10 0 CEAERO CC(C)N[C@@](C[N@H+](C)CC1CCCCC1)(C(N)=O)C1CC1 ZINC000069183952 519737179 /nfs/dbraw/zinc/73/71/79/519737179.db2.gz HDSYAIDQBCNWSP-QGZVFWFLSA-N 1 0 295.471 2.131 10 0 CEAERO CC(C)C[NH2+]C[C@@H](C)[C@H]1CS(=O)(=O)c2ccccc21 ZINC000052967335 519744760 /nfs/dbraw/zinc/74/47/60/519744760.db2.gz DFZPWQBQTAERSS-TZMCWYRMSA-N 1 0 281.421 2.439 10 0 CEAERO CC(C)C[NH2+]C[C@@H]1CCN(Cc2ccc3c(c2)OCO3)C1 ZINC000061674923 519744931 /nfs/dbraw/zinc/74/49/31/519744931.db2.gz NQBASHORWMBTNM-HNNXBMFYSA-N 1 0 290.407 2.483 10 0 CEAERO CC(C)C[NH2+]C[C@@H]1CCCN1c1ncnc2c1CCC2 ZINC000061278260 519744988 /nfs/dbraw/zinc/74/49/88/519744988.db2.gz CFZNNILDUUNONI-ZDUSSCGKSA-N 1 0 274.412 2.180 10 0 CEAERO CC(C)C[NH2+]Cc1cc(F)ccc1N(CC(N)=O)C(C)C ZINC000062737561 519746802 /nfs/dbraw/zinc/74/68/02/519746802.db2.gz SCPHMUSZCHGXGH-UHFFFAOYSA-N 1 0 295.402 2.271 10 0 CEAERO CC(C)C[NH2+]Cc1nnnn1[C@H](C)c1ccccc1F ZINC000054747184 519748744 /nfs/dbraw/zinc/74/87/44/519748744.db2.gz UCUYRUATJBFDSN-LLVKDONJSA-N 1 0 277.347 2.167 10 0 CEAERO CC(C)COC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063199285 519750402 /nfs/dbraw/zinc/75/04/02/519750402.db2.gz XTMGDIDHXHZTNQ-ZDUSSCGKSA-N 1 0 254.374 2.243 10 0 CEAERO CC(C)COCCCNC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050941387 519753096 /nfs/dbraw/zinc/75/30/96/519753096.db2.gz IJDLBLNFYAARFV-AWEZNQCLSA-N 1 0 270.417 2.088 10 0 CEAERO CC(C)COCCCNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000156861737 519753451 /nfs/dbraw/zinc/75/34/51/519753451.db2.gz XNDHSADCMJYOLJ-GJZGRUSLSA-N 1 0 299.459 2.077 10 0 CEAERO CC(C)OCCOc1cc(Cl)ccc1C(N)=[NH2+] ZINC000062789095 519768984 /nfs/dbraw/zinc/76/89/84/519768984.db2.gz JWFYHVDPPZXXQO-UHFFFAOYSA-N 1 0 256.733 2.428 10 0 CEAERO CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccc(N)cc1Cl ZINC000049191861 519814479 /nfs/dbraw/zinc/81/44/79/519814479.db2.gz IONFZXBLRSQIBE-ZDUSSCGKSA-N 1 0 283.803 2.238 10 0 CEAERO CCC[NH+]1CCC(NC(=O)c2c(C)cccc2N)CC1 ZINC000049550840 519846008 /nfs/dbraw/zinc/84/60/08/519846008.db2.gz XDNPKGWCGKEYPU-UHFFFAOYSA-N 1 0 275.396 2.181 10 0 CEAERO CC(C)c1ccn(-c2nc3sccn3c2C[NH3+])n1 ZINC000052884900 519848463 /nfs/dbraw/zinc/84/84/63/519848463.db2.gz NCAUNPCAXOTFAN-UHFFFAOYSA-N 1 0 261.354 2.164 10 0 CEAERO CCC1CCC([N@H+](C)CC[C@H](NC)C(=O)OC)CC1 ZINC000062526006 519853439 /nfs/dbraw/zinc/85/34/39/519853439.db2.gz OHOYFVJZZABEAY-RUXDESIVSA-N 1 0 270.417 2.038 10 0 CEAERO CCCNC(=O)[C@@H](C)Oc1ccc2c(c1)OC[C@H]2[NH2+]CC ZINC000062804839 519889281 /nfs/dbraw/zinc/88/92/81/519889281.db2.gz VRPOQCDLOOTPIW-BXUZGUMPSA-N 1 0 292.379 2.023 10 0 CEAERO CCCNC(=O)[C@H](C)Oc1cccc2c1CC[C@@H]2[NH2+]C ZINC000062799277 519893542 /nfs/dbraw/zinc/89/35/42/519893542.db2.gz YRVUIVNUNZLSRV-FZMZJTMJSA-N 1 0 276.380 2.187 10 0 CEAERO CCCC1CC[NH+](C[C@@H](NCC)C(=O)OCC)CC1 ZINC000050905866 519901593 /nfs/dbraw/zinc/90/15/93/519901593.db2.gz UVSAWKLRPQBEHX-CQSZACIVSA-N 1 0 270.417 2.040 10 0 CEAERO CCCC1CCN(S(=O)(=O)c2cccc(C[NH3+])c2)CC1 ZINC000050906013 519902589 /nfs/dbraw/zinc/90/25/89/519902589.db2.gz CMRDZCABHKFUHC-UHFFFAOYSA-N 1 0 296.436 2.346 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N(CC)Cc1ccc(OC)cc1 ZINC000061295695 519903420 /nfs/dbraw/zinc/90/34/20/519903420.db2.gz DKNWILDYIRSKOS-UHFFFAOYSA-N 1 0 278.396 2.432 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000061298794 519905090 /nfs/dbraw/zinc/90/50/90/519905090.db2.gz WNZLOQGTXGSCRU-UHFFFAOYSA-N 1 0 273.380 2.215 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1cc(F)c(F)cc1F ZINC000061299558 519906935 /nfs/dbraw/zinc/90/69/35/519906935.db2.gz JDHDVKKOQKPQGZ-UHFFFAOYSA-N 1 0 260.259 2.431 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000061293851 519908390 /nfs/dbraw/zinc/90/83/90/519908390.db2.gz ZIJHCSLLWNAGOI-UHFFFAOYSA-N 1 0 286.379 2.258 10 0 CEAERO CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2c1cnn(CCOC)c1 ZINC000054629441 519908563 /nfs/dbraw/zinc/90/85/63/519908563.db2.gz LALQWCWZWBKAPX-GOOCMWNKSA-N 1 0 292.427 2.029 10 0 CEAERO CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CCC(=O)N[C@@H](C)CC ZINC000054602815 519909723 /nfs/dbraw/zinc/90/97/23/519909723.db2.gz CGEUWYNWDSQUOG-HNSVSWJLSA-N 1 0 295.471 2.286 10 0 CEAERO CCC[NH2+]CC1CCN(c2ncnc3c2CCC3)CC1 ZINC000061278206 519912378 /nfs/dbraw/zinc/91/23/78/519912378.db2.gz SWNQRAMWSRRYRT-UHFFFAOYSA-N 1 0 274.412 2.181 10 0 CEAERO CC[NH2+]CCC(=O)N(CC)Cc1ccc(OC)c(F)c1 ZINC000061294183 519915360 /nfs/dbraw/zinc/91/53/60/519915360.db2.gz WASXEPWYHVXVOE-UHFFFAOYSA-N 1 0 282.359 2.182 10 0 CEAERO CC[NH2+]CCC(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000061294314 519915912 /nfs/dbraw/zinc/91/59/12/519915912.db2.gz LKZJVTRBTADHQS-UHFFFAOYSA-N 1 0 264.344 2.316 10 0 CEAERO CC[NH2+]CCC(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000061293763 519918307 /nfs/dbraw/zinc/91/83/07/519918307.db2.gz RIYSNOUYIJMZQT-UHFFFAOYSA-N 1 0 279.359 2.364 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519989275 /nfs/dbraw/zinc/98/92/75/519989275.db2.gz HHYIAMGDMIMAAE-HOTGVXAUSA-N 1 0 278.396 2.451 10 0 CEAERO CCC[NH2+][C@@H](CCSc1ccccc1)C(N)=O ZINC000062597892 520006142 /nfs/dbraw/zinc/00/61/42/520006142.db2.gz VJWXUZVRBIFWDP-LBPRGKRZSA-N 1 0 252.383 2.022 10 0 CEAERO CCC[NH2+][C@@H](CCSc1ccccc1C)C(N)=O ZINC000062600724 520006560 /nfs/dbraw/zinc/00/65/60/520006560.db2.gz BEKKUJFHIYIKRI-LBPRGKRZSA-N 1 0 266.410 2.331 10 0 CEAERO CCC[NH2+][C@@H](c1ccc(OC)cc1OC)[C@@H]1COCCO1 ZINC000055300535 520017837 /nfs/dbraw/zinc/01/78/37/520017837.db2.gz JRVMEAPNJLPIEN-HOTGVXAUSA-N 1 0 295.379 2.160 10 0 CEAERO CC(C)n1ccnc(NC[C@H](C)C[NH+]2CCCCC2)c1=O ZINC000061763958 520021331 /nfs/dbraw/zinc/02/13/31/520021331.db2.gz ISEBIWRUTLOXFT-AWEZNQCLSA-N 1 0 292.427 2.358 10 0 CEAERO CC[NH2+]Cc1nccn1Cc1cc(F)ccc1F ZINC000051004689 520023423 /nfs/dbraw/zinc/02/34/23/520023423.db2.gz PLGAJAFTISIORD-UHFFFAOYSA-N 1 0 251.280 2.319 10 0 CEAERO CCC[NH2+][C@@H]1CCOC[C@@H]1Oc1cc(OC)cc(OC)c1 ZINC000068967116 520024148 /nfs/dbraw/zinc/02/41/48/520024148.db2.gz ACHHYIJEHPEJMI-CVEARBPZSA-N 1 0 295.379 2.240 10 0 CEAERO CCC[NH2+][C@@H]1CCOC[C@H]1OCc1ccccc1F ZINC000069283791 520025303 /nfs/dbraw/zinc/02/53/03/520025303.db2.gz JIFJGIFYDIMCQD-HUUCEWRRSA-N 1 0 267.344 2.499 10 0 CEAERO CCC[NH2+][C@@H]1CCc2c1cccc2O[C@H](C)C(=O)NC ZINC000062800030 520027282 /nfs/dbraw/zinc/02/72/82/520027282.db2.gz MFTBEPNEXSOMSA-BXUZGUMPSA-N 1 0 276.380 2.187 10 0 CEAERO CCC[NH2+][C@@H]1COc2cc(O[C@H](C)C(=O)OC)ccc21 ZINC000062805017 520028328 /nfs/dbraw/zinc/02/83/28/520028328.db2.gz XTOLWBQCCVQZNN-ZWNOBZJWSA-N 1 0 279.336 2.060 10 0 CEAERO CCC[NH2+][C@@](C)(CCSCc1ccco1)C(N)=O ZINC000045548091 520037348 /nfs/dbraw/zinc/03/73/48/520037348.db2.gz JSFGTVMBTFVCCZ-ZDUSSCGKSA-N 1 0 270.398 2.147 10 0 CEAERO CCC[NH2+][C@@](C)(C[C@H](C)Oc1ccccc1OC)C(N)=O ZINC000068656630 520046619 /nfs/dbraw/zinc/04/66/19/520046619.db2.gz FJWPWOJHNPCCOD-LRDDRELGSA-N 1 0 294.395 2.096 10 0 CEAERO CCC[NH2+][C@@](C)(C[C@H](C)Oc1ccccc1F)C(N)=O 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CC[NH2+][C@@H](C)CC(=O)Nc1ccccc1N1CCCC1=O ZINC000061273672 520071065 /nfs/dbraw/zinc/07/10/65/520071065.db2.gz AWLCMMPSTCTXJT-LBPRGKRZSA-N 1 0 289.379 2.140 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(NC(=O)c2cc[nH]n2)cc1 ZINC000062775420 520076288 /nfs/dbraw/zinc/07/62/88/520076288.db2.gz KSQUXWIJIGKUTL-JTQLQIEISA-N 1 0 258.325 2.333 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(F)cc1O[C@@H](C)C(=O)OC ZINC000062746744 520076813 /nfs/dbraw/zinc/07/68/13/520076813.db2.gz LBAUHVRFKODXRF-UWVGGRQHSA-N 1 0 269.316 2.437 10 0 CEAERO CC[NH2+][C@@H](C)c1ccccc1NS(=O)(=O)N(C)C(C)C ZINC000049042470 520078467 /nfs/dbraw/zinc/07/84/67/520078467.db2.gz WGBDQXHERIKHRW-LBPRGKRZSA-N 1 0 299.440 2.354 10 0 CEAERO CC[NH2+][C@@H](C)c1cnc(Cc2ccncc2)nc1C ZINC000054963014 520079271 /nfs/dbraw/zinc/07/92/71/520079271.db2.gz BHQGZDWXMWOHRB-NSHDSACASA-N 1 0 256.353 2.441 10 0 CEAERO CCN(C(=O)c1ccc(NN)[nH+]c1)c1cccc(C)c1 ZINC000051094175 520088074 /nfs/dbraw/zinc/08/80/74/520088074.db2.gz TXIGKXYNPNMCRT-UHFFFAOYSA-N 1 0 270.336 2.342 10 0 CEAERO CCC[NH2+][C@H](Cn1ncccc1=O)c1ccccc1C ZINC000061402939 520088256 /nfs/dbraw/zinc/08/82/56/520088256.db2.gz YUOSHDKKDJPOTJ-OAHLLOKOSA-N 1 0 271.364 2.293 10 0 CEAERO CCC[NH2+][C@H](c1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1CCCOC1 ZINC000062233739 520089965 /nfs/dbraw/zinc/08/99/65/520089965.db2.gz LNAVGORAWRVXCM-IUODEOHRSA-N 1 0 289.379 2.324 10 0 CEAERO CCC[NH2+][C@H]1COc2cc(OCCC(=O)NCC)ccc21 ZINC000062805078 520098567 /nfs/dbraw/zinc/09/85/67/520098567.db2.gz BISWEBQFGVBVBD-AWEZNQCLSA-N 1 0 292.379 2.025 10 0 CEAERO CC[NH2+][C@@H](CN1CCN(C)C1=O)c1cc2ccccc2o1 ZINC000052885550 520099494 /nfs/dbraw/zinc/09/94/94/520099494.db2.gz JBHUUHLXZUILGY-ZDUSSCGKSA-N 1 0 287.363 2.451 10 0 CEAERO CC[NH2+][C@@H](Cc1cccc(OC)c1)c1cncnc1 ZINC000052887297 520104371 /nfs/dbraw/zinc/10/43/71/520104371.db2.gz OTUSWVAERHFBKU-HNNXBMFYSA-N 1 0 257.337 2.379 10 0 CEAERO CC[NH2+][C@@H](Cn1ccc(=O)cc1)c1ccccc1OC ZINC000061627833 520107779 /nfs/dbraw/zinc/10/77/79/520107779.db2.gz JMLWPHIJBNJGLX-HNNXBMFYSA-N 1 0 272.348 2.208 10 0 CEAERO CC[NH2+][C@@H](c1c(F)cc(F)cc1F)[C@@H]1COCCO1 ZINC000055300007 520108003 /nfs/dbraw/zinc/10/80/03/520108003.db2.gz HXHFQNGFJBUKON-WCQYABFASA-N 1 0 275.270 2.170 10 0 CEAERO CC[NH2+][C@@H]1CCCc2cc(O[C@@H](CC)C(N)=O)ccc21 ZINC000061676034 520118406 /nfs/dbraw/zinc/11/84/06/520118406.db2.gz DSXALTUOFVYWFJ-CABCVRRESA-N 1 0 276.380 2.316 10 0 CEAERO CCC[NH2+][C@](COc1ccccc1CC)(C(N)=O)C1CC1 ZINC000069197956 520125194 /nfs/dbraw/zinc/12/51/94/520125194.db2.gz WDALCCHFIBHLPS-KRWDZBQOSA-N 1 0 290.407 2.262 10 0 CEAERO CCC[NH2+][C@](CSC(C)(C)C)(C(N)=O)C1CC1 ZINC000069185234 520126052 /nfs/dbraw/zinc/12/60/52/520126052.db2.gz FLQADSFQQUNHSR-ZDUSSCGKSA-N 1 0 258.431 2.152 10 0 CEAERO CC[NH2+][C@@](C)(C[C@@H](C)Oc1cccc(OCC)c1)C(N)=O ZINC000068658302 520141511 /nfs/dbraw/zinc/14/15/11/520141511.db2.gz ISDMGADESMWQIB-WBMJQRKESA-N 1 0 294.395 2.096 10 0 CEAERO CCCNc1ccc(CN2CC[NH+](C3CC3)CC2)cn1 ZINC000050817953 520156395 /nfs/dbraw/zinc/15/63/95/520156395.db2.gz 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/nfs/dbraw/zinc/19/70/31/520197031.db2.gz ZVVIFVUGXYITDR-OAHLLOKOSA-N 1 0 275.396 2.321 10 0 CEAERO CC[NH2+][C@H](c1ccc2c(c1)CCCO2)[C@H]1COCCO1 ZINC000055301021 520209694 /nfs/dbraw/zinc/20/96/94/520209694.db2.gz WDFIWFHPSIDVMA-HZPDHXFCSA-N 1 0 277.364 2.078 10 0 CEAERO CC[NH2+][C@H](c1ccnn1C)c1ccc(F)c(F)c1 ZINC000069467401 520211147 /nfs/dbraw/zinc/21/11/47/520211147.db2.gz QPXHGAWBODSIEF-ZDUSSCGKSA-N 1 0 251.280 2.397 10 0 CEAERO CC[NH2+][C@H]1CCOC[C@H]1OCc1ccccc1F ZINC000069283361 520217794 /nfs/dbraw/zinc/21/77/94/520217794.db2.gz MOUYDLACVGXFEE-UONOGXRCSA-N 1 0 253.317 2.109 10 0 CEAERO CC[NH2+][C@H]1COc2cc(OC[C@H]3CCCO3)ccc21 ZINC000062804722 520221332 /nfs/dbraw/zinc/22/13/32/520221332.db2.gz IMWGLHAULYAXCZ-OCCSQVGLSA-N 1 0 263.337 2.287 10 0 CEAERO CC[NH2+][C@](C)(C[C@@H](C)Oc1ccc(OCC)cc1)C(N)=O ZINC000068655106 520238106 /nfs/dbraw/zinc/23/81/06/520238106.db2.gz PKPWRQBYXYHQJX-MLGOLLRUSA-N 1 0 294.395 2.096 10 0 CEAERO CCN[C@](C[N@H+](C)CC(C)(C)C)(C(=O)OCC)C1CC1 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ZINC000052372057 520322688 /nfs/dbraw/zinc/32/26/88/520322688.db2.gz CIXKQLNERVEAIZ-CABCVRRESA-N 1 0 254.418 2.264 10 0 CEAERO CCCOc1ccc([C@@H]([NH2+][C@H](C)CC)C(N)=O)cc1 ZINC000052920278 520417070 /nfs/dbraw/zinc/41/70/70/520417070.db2.gz NOYCCVZREJRQIM-BXUZGUMPSA-N 1 0 264.369 2.390 10 0 CEAERO CC1(C)COCCN1[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000055023222 520506672 /nfs/dbraw/zinc/50/66/72/520506672.db2.gz UJLZZVQAFKXDMW-ZDUSSCGKSA-N 1 0 261.369 2.165 10 0 CEAERO CC1(C)COCCN1c1nc2c(s1)[C@H]([NH3+])CCC2 ZINC000054898414 520507229 /nfs/dbraw/zinc/50/72/29/520507229.db2.gz WEHUDGYUPIUKGN-SECBINFHSA-N 1 0 267.398 2.094 10 0 CEAERO CC1(C)Cc2nc(N3CCCCC3)ncc2[C@H]([NH3+])C1 ZINC000050094244 520586429 /nfs/dbraw/zinc/58/64/29/520586429.db2.gz KLXBVHQNLLPYND-GFCCVEGCSA-N 1 0 260.385 2.439 10 0 CEAERO CC[NH+](CC)CCN(CC(C)C)C(=O)c1csc(N)n1 ZINC000055187543 520641761 /nfs/dbraw/zinc/64/17/61/520641761.db2.gz WECDLIWUXWKVOR-UHFFFAOYSA-N 1 0 298.456 2.165 10 0 CEAERO CCC[C@@H](C)N(C)c1c(C[NH2+]CCOC)c(C)nn1C ZINC000062736077 520648307 /nfs/dbraw/zinc/64/83/07/520648307.db2.gz PAOKDTQTWVXHLC-GFCCVEGCSA-N 1 0 282.432 2.089 10 0 CEAERO CC1(C)[C@H]([NH2+]CCCc2nccs2)[C@H]2CCO[C@H]21 ZINC000378451982 520666155 /nfs/dbraw/zinc/66/61/55/520666155.db2.gz FWPLPXCITZWNDL-RAIGVLPGSA-N 1 0 266.410 2.479 10 0 CEAERO CCC[C@@H](NC(=O)[C@H]([NH3+])CCOC)c1cccs1 ZINC000052810139 520747850 /nfs/dbraw/zinc/74/78/50/520747850.db2.gz AMGZCJJUIKUOCX-GHMZBOCLSA-N 1 0 270.398 2.069 10 0 CEAERO CCCCOCCNC(=O)[C@]1(CCC)CCC[NH2+]C1 ZINC000062858894 520778886 /nfs/dbraw/zinc/77/88/86/520778886.db2.gz CKRZFURFNHWPHK-OAHLLOKOSA-N 1 0 270.417 2.089 10 0 CEAERO CCOc1cc([C@H](O)[C@H]([NH3+])Cc2ccccc2)ccc1O ZINC000054685997 520781732 /nfs/dbraw/zinc/78/17/32/520781732.db2.gz IIUZGEPRWSFGQN-PBHICJAKSA-N 1 0 287.359 2.394 10 0 CEAERO CCC[C@@H]1CN(C[C@@H]2CCCCO2)[C@H](C2CC2)C[NH2+]1 ZINC000068701080 520837278 /nfs/dbraw/zinc/83/72/78/520837278.db2.gz WPILYVURSUUFNM-PMPSAXMXSA-N 1 0 266.429 2.408 10 0 CEAERO CCCCOc1ccc(C(=O)N[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000063173732 520871273 /nfs/dbraw/zinc/87/12/73/520871273.db2.gz RBRGFTBDWSRZNP-CABCVRRESA-N 1 0 276.380 2.475 10 0 CEAERO CCOC(=O)C[C@]1([NH+]2CCOCC2)C[C@H](C)CC[C@@H]1C ZINC000068633914 520903017 /nfs/dbraw/zinc/90/30/17/520903017.db2.gz MDAHJRPTIWXQPU-IJEWVQPXSA-N 1 0 283.412 2.467 10 0 CEAERO CCOc1ccc(C)cc1[C@@H]([NH2+]C)[C@@H]1COCCO1 ZINC000055301423 520927777 /nfs/dbraw/zinc/92/77/77/520927777.db2.gz WUYLTWPGLMIRJX-LSDHHAIUSA-N 1 0 265.353 2.070 10 0 CEAERO CC1CCC([N@H+](C)CC2(CO)CCOCC2)CC1 ZINC000052199851 520936001 /nfs/dbraw/zinc/93/60/01/520936001.db2.gz ZEFLIBNOAHWKEI-UHFFFAOYSA-N 1 0 255.402 2.286 10 0 CEAERO CC[N@H+](CC1CC1)[C@H](C)C(=O)Nc1ccc(F)c(N)c1 ZINC000069237077 520966744 /nfs/dbraw/zinc/96/67/44/520966744.db2.gz DOFDGIQEPLCLAT-SNVBAGLBSA-N 1 0 279.359 2.467 10 0 CEAERO CCOC(=O)[C@@H](CC[N@H+](CC1CC1)C(C)C)NC(C)C ZINC000062525669 521057277 /nfs/dbraw/zinc/05/72/77/521057277.db2.gz KEESUMBWIUTGMZ-OAHLLOKOSA-N 1 0 284.444 2.427 10 0 CEAERO CCOC(=O)[C@@H](N)CC[N@H+](CC)CC(CC)CC ZINC000062461800 521069972 /nfs/dbraw/zinc/06/99/72/521069972.db2.gz VYWQEZDSDXLCJD-ZDUSSCGKSA-N 1 0 258.406 2.025 10 0 CEAERO CCC[C@H](Cn1ncc(=O)c2ccccc21)[NH2+]CC ZINC000050186168 521105090 /nfs/dbraw/zinc/10/50/90/521105090.db2.gz KYSAYUWWFNMDCO-GFCCVEGCSA-N 1 0 259.353 2.175 10 0 CEAERO CCOC(=O)[C@@](N)(C[NH+]1CCC(C)(CC)CC1)C1CC1 ZINC000069232503 521170686 /nfs/dbraw/zinc/17/06/86/521170686.db2.gz DNYIABAEOVPJDY-MRXNPFEDSA-N 1 0 282.428 2.169 10 0 CEAERO CCOc1ccc([C@@H]([NH2+]C)C(C)(C)S(C)(=O)=O)cc1 ZINC000070128538 521231758 /nfs/dbraw/zinc/23/17/58/521231758.db2.gz NOPVBUQRNADHGL-CYBMUJFWSA-N 1 0 285.409 2.169 10 0 CEAERO CCOc1ccc([C@H]([NH2+]C)[C@H]2COCCO2)cc1OCC ZINC000055299472 521263541 /nfs/dbraw/zinc/26/35/41/521263541.db2.gz JTQDPKPSUUQUCI-CVEARBPZSA-N 1 0 295.379 2.160 10 0 CEAERO CCN(C[C@H]1CCCO1)[C@@H](C[NH2+]C)c1ccccc1 ZINC000052511138 521268932 /nfs/dbraw/zinc/26/89/32/521268932.db2.gz NZAQYUUFUCNKTL-CVEARBPZSA-N 1 0 262.397 2.448 10 0 CEAERO CCC[C@]1(C(=O)N(CCOC)[C@@H](C)CC)CCC[NH2+]C1 ZINC000062860138 521297902 /nfs/dbraw/zinc/29/79/02/521297902.db2.gz JJNZBSPDXGVNPJ-HOCLYGCPSA-N 1 0 284.444 2.430 10 0 CEAERO CCC[C@]1(C(=O)NC(C2CC2)C2CC2)CC[NH2+]C1 ZINC000062899527 521299428 /nfs/dbraw/zinc/29/94/28/521299428.db2.gz JBXXXSDICLMZLC-HNNXBMFYSA-N 1 0 250.386 2.071 10 0 CEAERO CCC(C)(C)[N@H+](C)C[C@@](C)(NC(C)C)C(=O)OC ZINC000069446904 521304355 /nfs/dbraw/zinc/30/43/55/521304355.db2.gz IMGZDPACHHBHHG-CQSZACIVSA-N 1 0 258.406 2.037 10 0 CEAERO CCOc1cccc(C[NH2+]CCOC)c1OCC ZINC000062732767 521361309 /nfs/dbraw/zinc/36/13/09/521361309.db2.gz VPBUIVVDYDANPU-UHFFFAOYSA-N 1 0 253.342 2.220 10 0 CEAERO CCC(C)(C)[C@H]1CCc2[nH]nc(N3CC[NH2+]CC3)c2C1 ZINC000062670040 521366553 /nfs/dbraw/zinc/36/65/53/521366553.db2.gz QVSCGSWGHKLNMV-LBPRGKRZSA-N 1 0 276.428 2.360 10 0 CEAERO CCOc1cccc(OCc2cccnc2C(N)=[NH2+])c1 ZINC000061658873 521404201 /nfs/dbraw/zinc/40/42/01/521404201.db2.gz NHSRGSYTYHJLQF-UHFFFAOYSA-N 1 0 271.320 2.343 10 0 CEAERO CCCc1ccc([C@@H]([NH3+])Cn2cc(C)cnc2=O)cc1 ZINC000063049839 521413948 /nfs/dbraw/zinc/41/39/48/521413948.db2.gz FEJVHGTXCMIKAO-HNNXBMFYSA-N 1 0 271.364 2.204 10 0 CEAERO CCOC(=O)c1cc(N[C@H](C)CC[NH+](C)C)ccc1N ZINC000049562056 521446071 /nfs/dbraw/zinc/44/60/71/521446071.db2.gz ROMMSGWKBYLFDP-LLVKDONJSA-N 1 0 279.384 2.198 10 0 CEAERO CCCc1nc(N(CCC)CC[NH+](C)C)sc1CO ZINC000055004292 521530514 /nfs/dbraw/zinc/53/05/14/521530514.db2.gz MXLHDIHGGBDAQB-UHFFFAOYSA-N 1 0 285.457 2.366 10 0 CEAERO CCOc1ccccc1NCC[NH2+]C[C@@H]1CCCO1 ZINC000066188497 521554350 /nfs/dbraw/zinc/55/43/50/521554350.db2.gz DOVJPZBGJLVXHY-ZDUSSCGKSA-N 1 0 264.369 2.266 10 0 CEAERO CCOc1ccccc1O[C@@H](C)C[NH2+]CCOC ZINC000053565020 521569103 /nfs/dbraw/zinc/56/91/03/521569103.db2.gz CJTZGVFHPBEMLP-LBPRGKRZSA-N 1 0 253.342 2.089 10 0 CEAERO CCCC1N=NC(=S)N1[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000049569240 521569337 /nfs/dbraw/zinc/56/93/37/521569337.db2.gz YFALEVNIJXZJCT-GHMZBOCLSA-N 1 0 266.414 2.319 10 0 CEAERO CCCc1noc(CN(C)C[C@@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000012204124 521580847 /nfs/dbraw/zinc/58/08/47/521580847.db2.gz PYCSFJQRLWRSOJ-ZDUSSCGKSA-N 1 0 280.416 2.184 10 0 CEAERO CCCN(CC(F)(F)F)C(=O)[C@H](C)C[NH2+]CC ZINC000061236570 521584044 /nfs/dbraw/zinc/58/40/44/521584044.db2.gz WOWZMZWIJRRTLL-SECBINFHSA-N 1 0 254.296 2.033 10 0 CEAERO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@@H](CC(C)C)CN(C)C ZINC000049555872 521586659 /nfs/dbraw/zinc/58/66/59/521586659.db2.gz NULYAWKTTYWYQS-HIFRSBDPSA-N 1 0 285.476 2.246 10 0 CEAERO CCC[N@H+](CC1CC1)C[C@@](NC(C)C)(C(=O)OC)C1CC1 ZINC000069131914 521624848 /nfs/dbraw/zinc/62/48/48/521624848.db2.gz IDSASSRNLIGOGQ-KRWDZBQOSA-N 1 0 296.455 2.428 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2nc(Cl)nc(OC(C)C)n2)C1 ZINC000061539210 521626155 /nfs/dbraw/zinc/62/61/55/521626155.db2.gz SHLJQAMZQCYCML-SNVBAGLBSA-N 1 0 299.806 2.208 10 0 CEAERO CCCn1c(CN2CCC[NH2+]CC2)nc2ccc(F)cc21 ZINC000061145567 521629372 /nfs/dbraw/zinc/62/93/72/521629372.db2.gz IDUDHLZTDZPQDK-UHFFFAOYSA-N 1 0 290.386 2.381 10 0 CEAERO CCS(=O)(=O)CC[C@@H]1C[C@@H](C(C)C)CC[C@@H]1[NH2+]C ZINC000054630795 521644557 /nfs/dbraw/zinc/64/45/57/521644557.db2.gz PHPQISMXWTUCBQ-MJBXVCDLSA-N 1 0 275.458 2.472 10 0 CEAERO CCCN(CCC[NH3+])C(=O)c1cccc2cccnc21 ZINC000061410293 521653447 /nfs/dbraw/zinc/65/34/47/521653447.db2.gz BITJNJRWRPHOMH-UHFFFAOYSA-N 1 0 271.364 2.436 10 0 CEAERO CCCN(CC[NH+](C)C)C(=O)c1cc(Cl)ccc1NN ZINC000051117372 521655655 /nfs/dbraw/zinc/65/56/55/521655655.db2.gz RYPBZJMJNJPBKF-UHFFFAOYSA-N 1 0 298.818 2.039 10 0 CEAERO CCCn1cccc1C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000070169877 521658399 /nfs/dbraw/zinc/65/83/99/521658399.db2.gz WTNNTIIUYZEJRX-CYBMUJFWSA-N 1 0 263.385 2.099 10 0 CEAERO CCCn1cccc1C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000050162968 521658452 /nfs/dbraw/zinc/65/84/52/521658452.db2.gz BJXLCSJCOUBCCT-STQMWFEESA-N 1 0 263.385 2.016 10 0 CEAERO CCC[N@H+](CC[C@@H](NCC)C(=O)OCC)C(C)C ZINC000062446628 521670542 /nfs/dbraw/zinc/67/05/42/521670542.db2.gz JRJCNXKIUCJSNV-CYBMUJFWSA-N 1 0 258.406 2.038 10 0 CEAERO CCC1(C)CC[NH+](C[C@](NC(C)C)(C(N)=O)C2CC2)CC1 ZINC000069232533 521678486 /nfs/dbraw/zinc/67/84/86/521678486.db2.gz FXZBPVLKHURGSZ-QGZVFWFLSA-N 1 0 295.471 2.131 10 0 CEAERO CCC1(C)CC[NH+]([C@H](C)C[C@](C)(NC)C(=O)OC)CC1 ZINC000068645182 521678493 /nfs/dbraw/zinc/67/84/93/521678493.db2.gz JHJPREOWZKCLJP-CJNGLKHVSA-N 1 0 284.444 2.428 10 0 CEAERO CCC[N@H+](C[C@](NC1CC1)(C(=O)OC)C1CC1)C(C)C ZINC000069097680 521678741 /nfs/dbraw/zinc/67/87/41/521678741.db2.gz IKXFFQJATFBQLW-MRXNPFEDSA-N 1 0 282.428 2.181 10 0 CEAERO CCCN1C(=O)C[C@H]([NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000062209587 521699758 /nfs/dbraw/zinc/69/97/58/521699758.db2.gz KQQHONWJRGJJEF-WCQYABFASA-N 1 0 252.745 2.351 10 0 CEAERO COCC[C@@H]([NH3+])C(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000052792084 521824334 /nfs/dbraw/zinc/82/43/34/521824334.db2.gz XSQTVOPGVGNZSP-ZIAGYGMSSA-N 1 0 282.359 2.003 10 0 CEAERO COC(=O)c1cc(CN2CCC[C@@H]2[C@@H]2CCC[NH2+]2)oc1C ZINC000051359980 521839717 /nfs/dbraw/zinc/83/97/17/521839717.db2.gz TYUWGFFLFSMQKK-LSDHHAIUSA-N 1 0 292.379 2.091 10 0 CEAERO C[NH+](C)C[C@@H]1CCCN1c1ccc(N)c2ncccc12 ZINC000061642956 521843055 /nfs/dbraw/zinc/84/30/55/521843055.db2.gz FQXQGHINGROBBM-LBPRGKRZSA-N 1 0 270.380 2.347 10 0 CEAERO CN(C)C[C@H]1CCC[N@@H+]1CCCOc1ccccc1N ZINC000061641795 521867513 /nfs/dbraw/zinc/86/75/13/521867513.db2.gz ZTMHWQVVUWXPIZ-CQSZACIVSA-N 1 0 277.412 2.064 10 0 CEAERO COc1cc(-c2noc(C[NH2+]CC(C)C)n2)ccc1O ZINC000062743504 521916938 /nfs/dbraw/zinc/91/69/38/521916938.db2.gz JGGDROZZROJXRU-UHFFFAOYSA-N 1 0 277.324 2.196 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N(C)[C@H](C)c1ccccc1OC ZINC000061317194 521931182 /nfs/dbraw/zinc/93/11/82/521931182.db2.gz GCYZAJUFDAIZHD-LLVKDONJSA-N 1 0 264.369 2.213 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N(C)Cc1ccc(SC)cc1 ZINC000061316857 521932266 /nfs/dbraw/zinc/93/22/66/521932266.db2.gz OCOXLHPSZGXRJU-UHFFFAOYSA-N 1 0 266.410 2.365 10 0 CEAERO C[NH+](C)Cc1ccccc1NC(=O)c1csc(N)n1 ZINC000055185752 521933553 /nfs/dbraw/zinc/93/35/53/521933553.db2.gz LWYVLGICWQEPBS-UHFFFAOYSA-N 1 0 276.365 2.039 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000061316438 521938563 /nfs/dbraw/zinc/93/85/63/521938563.db2.gz LEBQESOQAYIRDO-IUCAKERBSA-N 1 0 266.307 2.222 10 0 CEAERO COCC[C@H]([NH3+])C(=O)NCCCCCCC(C)C ZINC000052809776 521941715 /nfs/dbraw/zinc/94/17/15/521941715.db2.gz RCTYBUZGQQYQKO-ZDUSSCGKSA-N 1 0 258.406 2.073 10 0 CEAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000061316460 521942401 /nfs/dbraw/zinc/94/24/01/521942401.db2.gz KVKLBNGQLNHMFG-UHFFFAOYSA-N 1 0 261.369 2.223 10 0 CEAERO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2c1ccc(OC)nc1 ZINC000054601335 521957146 /nfs/dbraw/zinc/95/71/46/521957146.db2.gz RISFVGMFFWTDOO-YHWZYXNKSA-N 1 0 261.369 2.200 10 0 CEAERO C[NH2+]CC1(CN2CCCc3ccccc32)CCOCC1 ZINC000052181020 521967730 /nfs/dbraw/zinc/96/77/30/521967730.db2.gz BMMTWNWKJJUGKS-UHFFFAOYSA-N 1 0 274.408 2.455 10 0 CEAERO CCc1ccsc1C(=O)N1[C@H](C)C[NH2+]C[C@H]1C ZINC000069132653 521994118 /nfs/dbraw/zinc/99/41/18/521994118.db2.gz KRCVNDURCUFVEC-NXEZZACHSA-N 1 0 252.383 2.133 10 0 CEAERO C[NH2+]CCCc1nnc(-c2c(F)cccc2F)o1 ZINC000050616667 522000870 /nfs/dbraw/zinc/00/08/70/522000870.db2.gz KXQKOGXKICMUNF-UHFFFAOYSA-N 1 0 253.252 2.167 10 0 CEAERO C[NH2+]C[C@@H](c1ccccc1)N(C)Cc1cccnc1 ZINC000052479550 522037766 /nfs/dbraw/zinc/03/77/66/522037766.db2.gz MPKXZAYXFNRLJK-INIZCTEOSA-N 1 0 255.365 2.474 10 0 CEAERO C[NH2+]C[C@@H]1CCCN1c1ncccc1C(F)(F)F ZINC000053703554 522054017 /nfs/dbraw/zinc/05/40/17/522054017.db2.gz KBUFHEQJTAYUKR-VIFPVBQESA-N 1 0 259.275 2.289 10 0 CEAERO C[NH2+]C[C@@H]1CC[C@H](CN(C)c2ccccc2F)O1 ZINC000052543116 522059916 /nfs/dbraw/zinc/05/99/16/522059916.db2.gz ABBNELCCPWQEGP-NWDGAFQWSA-N 1 0 252.333 2.029 10 0 CEAERO CC[C@H](C)n1ccc(C[C@]2(C[NH2+]CCOC)CCOC2)n1 ZINC000070325677 522071216 /nfs/dbraw/zinc/07/12/16/522071216.db2.gz WJPBERFJGXZWRM-HOCLYGCPSA-N 1 0 295.427 2.039 10 0 CEAERO C[NH2+]C[C@H](C)c1c(C)nc(-c2cccnc2)nc1C ZINC000054854666 522072907 /nfs/dbraw/zinc/07/29/07/522072907.db2.gz QILOLYULHJLEQA-JTQLQIEISA-N 1 0 256.353 2.478 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1c1cnc2ccccc2n1 ZINC000053706804 522081896 /nfs/dbraw/zinc/08/18/96/522081896.db2.gz AHPANLLLBGLSAI-GFCCVEGCSA-N 1 0 256.353 2.208 10 0 CEAERO C[NH2+]Cc1c(C)nc(-c2cccc(OC)c2)nc1C ZINC000054854055 522099799 /nfs/dbraw/zinc/09/97/99/522099799.db2.gz OUBSNHBSYKGXCY-UHFFFAOYSA-N 1 0 257.337 2.488 10 0 CEAERO C[NH2+]Cc1cc(C)c(OCc2nonc2C)c(C)c1 ZINC000070261209 522102848 /nfs/dbraw/zinc/10/28/48/522102848.db2.gz PKRSAFFWSOQYMV-UHFFFAOYSA-N 1 0 261.325 2.293 10 0 CEAERO CC[C@@H](C)N1C(=O)C[C@H]([NH2+][C@@H](C)Cc2ccsc2)C1=O ZINC000049163122 522107724 /nfs/dbraw/zinc/10/77/24/522107724.db2.gz JQRWGTOJABLCOW-LOWVWBTDSA-N 1 0 294.420 2.195 10 0 CEAERO C[NH2+]Cc1cc(COc2ccc(F)c(F)c2)on1 ZINC000052700510 522110905 /nfs/dbraw/zinc/11/09/05/522110905.db2.gz QTNODVNERIPDCQ-UHFFFAOYSA-N 1 0 254.236 2.251 10 0 CEAERO CC[C@H](CC(=O)[O-])[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062756971 522111223 /nfs/dbraw/zinc/11/12/23/522111223.db2.gz SDUOBPHOSKWAJB-CQSZACIVSA-N 1 0 268.401 2.048 10 0 CEAERO C[NH2+]Cc1cc(Cn2cnc3cc(C)c(C)cc32)on1 ZINC000052575651 522112107 /nfs/dbraw/zinc/11/21/07/522112107.db2.gz RLIOHBOSSXHMDT-UHFFFAOYSA-N 1 0 270.336 2.409 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc(N)cn2C(C)C)CC1 ZINC000055063583 522115782 /nfs/dbraw/zinc/11/57/82/522115782.db2.gz AEYDEBIMRSNLAD-CYBMUJFWSA-N 1 0 292.427 2.208 10 0 CEAERO C[NH2+]Cc1ccc(OCCN2CCO[C@H]3CCC[C@@H]32)cc1 ZINC000052540245 522123023 /nfs/dbraw/zinc/12/30/23/522123023.db2.gz AMQTWPGGRRCBSA-IRXDYDNUSA-N 1 0 290.407 2.038 10 0 CEAERO CC[C@H](CC[NH3+])NC(=O)c1cccc(OC(F)F)c1 ZINC000054161852 522128678 /nfs/dbraw/zinc/12/86/78/522128678.db2.gz OVJCKAJRFULYBL-SNVBAGLBSA-N 1 0 272.295 2.145 10 0 CEAERO CC[C@@H](C)[NH+]1CCN([C@@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000055069708 522130934 /nfs/dbraw/zinc/13/09/34/522130934.db2.gz FSVWVSMMRVNHCB-XYPHTWIQSA-N 1 0 274.408 2.061 10 0 CEAERO C[NH2+]Cc1cccc(OCCOCC(F)(F)F)c1 ZINC000049310624 522135101 /nfs/dbraw/zinc/13/51/01/522135101.db2.gz HCLONNQLQTWKFK-UHFFFAOYSA-N 1 0 263.259 2.364 10 0 CEAERO CC[C@H](C[NH2+]CCOC)Cc1ccc(OC)cc1 ZINC000054666940 522193995 /nfs/dbraw/zinc/19/39/95/522193995.db2.gz ASXPTLXDCIPHNW-ZDUSSCGKSA-N 1 0 251.370 2.500 10 0 CEAERO COC[C@@H](C)[N@H+](C)Cc1cc2ccccc2nc1N ZINC000050815174 522218238 /nfs/dbraw/zinc/21/82/38/522218238.db2.gz KYIANEDPMAZXLF-LLVKDONJSA-N 1 0 259.353 2.284 10 0 CEAERO COC(=O)c1cccc(NC(=O)C2(C)CC[NH2+]CC2)c1C ZINC000062840188 522221746 /nfs/dbraw/zinc/22/17/46/522221746.db2.gz WBPMWHRDRQTDMK-UHFFFAOYSA-N 1 0 290.363 2.110 10 0 CEAERO CN(C)c1ccc(NC(=O)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000054290973 522224401 /nfs/dbraw/zinc/22/44/01/522224401.db2.gz HHSDCTJUYLNCJE-LBPRGKRZSA-N 1 0 261.369 2.081 10 0 CEAERO COc1cc(C)ccc1OCc1ccc(NN)[nH+]c1 ZINC000051149896 522282432 /nfs/dbraw/zinc/28/24/32/522282432.db2.gz DSZRVLJLUKGLNP-UHFFFAOYSA-N 1 0 259.309 2.263 10 0 CEAERO COC(=O)c1ccccc1OCC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000183168025 522286871 /nfs/dbraw/zinc/28/68/71/522286871.db2.gz HLBIHBWIGDNTLM-JSGCOSHPSA-N 1 0 293.363 2.009 10 0 CEAERO C[NH2+][C@@H](C)C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000052395775 522321699 /nfs/dbraw/zinc/32/16/99/522321699.db2.gz YELWSYZFQKTWDN-NUOQBOJZSA-N 1 0 264.413 2.315 10 0 CEAERO CC[C@H]([NH3+])Cc1cc2c(cc1OC1CCOCC1)OCO2 ZINC000069310750 522332661 /nfs/dbraw/zinc/33/26/61/522332661.db2.gz GRNCIDUREHXVGT-LBPRGKRZSA-N 1 0 293.363 2.253 10 0 CEAERO CC[C@H]([NH3+])Cc1ccccc1OCc1ncccn1 ZINC000054461759 522334889 /nfs/dbraw/zinc/33/48/89/522334889.db2.gz MTPFHARYEXCQNB-ZDUSSCGKSA-N 1 0 257.337 2.335 10 0 CEAERO C[NH2+][C@@H](C)c1ccccc1N(C)Cc1cnn(C)c1 ZINC000048972407 522336749 /nfs/dbraw/zinc/33/67/49/522336749.db2.gz TYHOOOJIBOUKNI-LBPRGKRZSA-N 1 0 258.369 2.337 10 0 CEAERO CC[C@H]([NH3+])c1c(C)nn(CCOCC(F)(F)F)c1C ZINC000054716709 522347329 /nfs/dbraw/zinc/34/73/29/522347329.db2.gz FYBLVDSDERXFMD-JTQLQIEISA-N 1 0 279.306 2.489 10 0 CEAERO C[NH2+][C@@H](Cn1nc(C)ccc1=O)c1cc2ccccc2o1 ZINC000061810276 522365789 /nfs/dbraw/zinc/36/57/89/522365789.db2.gz DMBGEAVJHXVGQM-ZDUSSCGKSA-N 1 0 283.331 2.259 10 0 CEAERO C[NH2+][C@@H]1CC(C)(C)Cc2nc([C@H]3CCOC3)ncc21 ZINC000051691549 522374111 /nfs/dbraw/zinc/37/41/11/522374111.db2.gz AGJYESKNZPSTFN-CMPLNLGQSA-N 1 0 261.369 2.213 10 0 CEAERO CCc1nc(N2CC[NH+]([C@H](C)CC)CC2)sc1CO ZINC000055076640 522387738 /nfs/dbraw/zinc/38/77/38/522387738.db2.gz CNNGCGBKMYOBGV-LLVKDONJSA-N 1 0 283.441 2.118 10 0 CEAERO CCc1nc(N2CC[NH+]([C@@H](C)CC)CC2)sc1CO ZINC000055076638 522388249 /nfs/dbraw/zinc/38/82/49/522388249.db2.gz CNNGCGBKMYOBGV-NSHDSACASA-N 1 0 283.441 2.118 10 0 CEAERO CCc1nc(NC(=O)C[C@H]2CCC[NH2+]C2)sc1C ZINC000054308927 522396443 /nfs/dbraw/zinc/39/64/43/522396443.db2.gz KUQBSLULAWYIHK-SNVBAGLBSA-N 1 0 267.398 2.342 10 0 CEAERO C[NH2+][C@@H]1COc2cc(OCCc3ccncc3)ccc21 ZINC000062804265 522400966 /nfs/dbraw/zinc/40/09/66/522400966.db2.gz GQUDVQXLGICRRK-OAHLLOKOSA-N 1 0 270.332 2.356 10 0 CEAERO C[NH2+][C@@](C)(CCC[NH+]1CCC2(CCCC2)CC1)C(=O)[O-] ZINC000062956653 522408358 /nfs/dbraw/zinc/40/83/58/522408358.db2.gz OYCRSJWFDBNWFJ-HNNXBMFYSA-N 1 0 282.428 2.486 10 0 CEAERO C[NH2+][C@@](C)(C[C@H](C)Oc1cccc(C(C)C)c1)C(N)=O ZINC000068655337 522422133 /nfs/dbraw/zinc/42/21/33/522422133.db2.gz ZVSKHCPWVVVPBE-LRDDRELGSA-N 1 0 278.396 2.431 10 0 CEAERO COc1cc(C[NH2+]CC(C)C)ccc1O[C@H]1CCOC1=O ZINC000062731877 522445745 /nfs/dbraw/zinc/44/57/45/522445745.db2.gz VYWNHXBTLZXUPT-AWEZNQCLSA-N 1 0 293.363 2.135 10 0 CEAERO C[NH2+][C@H](C)c1cccc(OC[C@H](O)C(F)(F)F)c1 ZINC000068876497 522450856 /nfs/dbraw/zinc/45/08/56/522450856.db2.gz ISAADWVPWWATCY-KCJUWKMLSA-N 1 0 263.259 2.269 10 0 CEAERO C[NH2+][C@H](C)c1nnc(-c2ccc(OC)c(OC)c2)o1 ZINC000050618291 522455925 /nfs/dbraw/zinc/45/59/25/522455925.db2.gz ZHGSIIIDQUZGOW-MRVPVSSYSA-N 1 0 263.297 2.034 10 0 CEAERO C[NH2+][C@H](C)c1sc(N(C)[C@@H](C)COC)nc1C ZINC000054906693 522456991 /nfs/dbraw/zinc/45/69/91/522456991.db2.gz YJCPHJPJJRPBIV-DTWKUNHWSA-N 1 0 257.403 2.203 10 0 CEAERO C[NH2+][C@H](CN1CCN(C)C1=O)c1ccc(OC(C)C)cc1 ZINC000052885585 522466815 /nfs/dbraw/zinc/46/68/15/522466815.db2.gz JDJDPLWQVBOUJQ-OAHLLOKOSA-N 1 0 291.395 2.102 10 0 CEAERO C[NH2+][C@H](c1ccc(OC(C)C)cc1)[C@@H]1COCCO1 ZINC000055299623 522479345 /nfs/dbraw/zinc/47/93/45/522479345.db2.gz HWHKEQHHFPNUEI-LSDHHAIUSA-N 1 0 265.353 2.150 10 0 CEAERO C[NH2+][C@H]1CCCCC[C@@H]1S(=O)(=O)c1ccccc1 ZINC000061702751 522489855 /nfs/dbraw/zinc/48/98/55/522489855.db2.gz HMPZYOYAJSINGA-KBPBESRZSA-N 1 0 267.394 2.381 10 0 CEAERO C[NH2+][C@H]1CCc2c1cccc2OCCn1ccnc1C ZINC000062798908 522505152 /nfs/dbraw/zinc/50/51/52/522505152.db2.gz MROPXUNOMNQUII-HNNXBMFYSA-N 1 0 271.364 2.477 10 0 CEAERO C[NH2+][C@H]1CCO[C@H](c2cc(OC)c(OC)c(OC)c2)C1 ZINC000070340575 522505750 /nfs/dbraw/zinc/50/57/50/522505750.db2.gz QWUFDWAHYCTAKE-RYUDHWBXSA-N 1 0 281.352 2.152 10 0 CEAERO C[NH2+][C@H]1COc2cc(O[C@H](C)C(=O)NC(C)(C)C)ccc21 ZINC000062804384 522507577 /nfs/dbraw/zinc/50/75/77/522507577.db2.gz ZMDXOQDSPPVBLK-MFKMUULPSA-N 1 0 292.379 2.022 10 0 CEAERO C[NH2+][C@H]1COc2cc(OCc3cccnc3)ccc21 ZINC000062804492 522507612 /nfs/dbraw/zinc/50/76/12/522507612.db2.gz IXMORWILNZJKTA-AWEZNQCLSA-N 1 0 256.305 2.314 10 0 CEAERO C[NH2+][C@](C)(CCCCSc1ccccc1)C(N)=O ZINC000045555594 522513866 /nfs/dbraw/zinc/51/38/66/522513866.db2.gz FSHGXPNWQMXLPK-CQSZACIVSA-N 1 0 266.410 2.412 10 0 CEAERO C[NH2+][C@](C)(CCCCOc1cccc(C)c1C)C(N)=O ZINC000045512401 522514498 /nfs/dbraw/zinc/51/44/98/522514498.db2.gz APXTVGNTYFHOQT-MRXNPFEDSA-N 1 0 278.396 2.316 10 0 CEAERO CN[C@](C)(C[C@H](C)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)OC ZINC000068627102 522523877 /nfs/dbraw/zinc/52/38/77/522523877.db2.gz WWKHUBSYCDAALS-LJIGWXMPSA-N 1 0 296.455 2.428 10 0 CEAERO C[NH2+][C@](COc1cc(C)ccc1C(C)C)(C(N)=O)C1CC1 ZINC000069197193 522529756 /nfs/dbraw/zinc/52/97/56/522529756.db2.gz FAANGBANSIRIRX-KRWDZBQOSA-N 1 0 290.407 2.351 10 0 CEAERO CC[C@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccccc1 ZINC000051627057 522560823 /nfs/dbraw/zinc/56/08/23/522560823.db2.gz RROQPYHQDKLZSD-AWEZNQCLSA-N 1 0 261.369 2.270 10 0 CEAERO CN(CC1(C[NH3+])CCOCC1)c1cccc(F)c1 ZINC000052183247 522591200 /nfs/dbraw/zinc/59/12/00/522591200.db2.gz DGNSMKASNXFFGY-UHFFFAOYSA-N 1 0 252.333 2.017 10 0 CEAERO CNc1ccc(Cl)c(CN(C)C2CC[NH+](C)CC2)n1 ZINC000061630758 522619851 /nfs/dbraw/zinc/61/98/51/522619851.db2.gz ZMTPPYWVQAXPRN-UHFFFAOYSA-N 1 0 282.819 2.303 10 0 CEAERO CNc1ccc(Cl)cc1C(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC000050729116 522629364 /nfs/dbraw/zinc/62/93/64/522629364.db2.gz MDSOUDAVSXBJGB-CQSZACIVSA-N 1 0 293.798 2.206 10 0 CEAERO CC[C@@H]([NH3+])Cc1c(C)nn(CCc2ccccn2)c1C ZINC000062803322 522641531 /nfs/dbraw/zinc/64/15/31/522641531.db2.gz BXNLWZZURCLGEC-CQSZACIVSA-N 1 0 272.396 2.417 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccc(OCc2ncccn2)cc1 ZINC000054461750 522643534 /nfs/dbraw/zinc/64/35/34/522643534.db2.gz VZIUOXWHSOWARL-CYBMUJFWSA-N 1 0 257.337 2.335 10 0 CEAERO CC[C@@H]([NH3+])Cc1nccn1Cc1cccc(OC)c1 ZINC000062803046 522646539 /nfs/dbraw/zinc/64/65/39/522646539.db2.gz RXNOQQZMERFXFO-CYBMUJFWSA-N 1 0 259.353 2.220 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1cccnc1)N1CCC[C@@H]1CCCO ZINC000052757666 522648927 /nfs/dbraw/zinc/64/89/27/522648927.db2.gz PSNGPODLHDLNEG-BZUAXINKSA-N 1 0 277.412 2.097 10 0 CEAERO CC[C@@H]([NH3+])c1ccccc1OCCC(=O)NC(C)C ZINC000054047702 522655556 /nfs/dbraw/zinc/65/55/56/522655556.db2.gz ZYLGVBNSTJPBCZ-CYBMUJFWSA-N 1 0 264.369 2.390 10 0 CEAERO CCc1nn(C)cc1CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000157499489 522694443 /nfs/dbraw/zinc/69/44/43/522694443.db2.gz NXVJYJAVYGSSFK-HOCLYGCPSA-N 1 0 270.380 2.217 10 0 CEAERO COC1CCN(c2nc3c(s2)[C@@H]([NH3+])CCC3)CC1 ZINC000054895424 522709186 /nfs/dbraw/zinc/70/91/86/522709186.db2.gz FYLPFEKAGURCLR-JTQLQIEISA-N 1 0 267.398 2.094 10 0 CEAERO COC1CCN(c2ccc(Cl)cc2C(N)=[NH2+])CC1 ZINC000052860039 522709647 /nfs/dbraw/zinc/70/96/47/522709647.db2.gz NSDVNIDBVVLKLL-UHFFFAOYSA-N 1 0 267.760 2.239 10 0 CEAERO CCc1nnc(CN2C[C@@H](CC[NH3+])c3ccccc32)o1 ZINC000063128887 522737593 /nfs/dbraw/zinc/73/75/93/522737593.db2.gz CAOQAILJMKQLRY-LLVKDONJSA-N 1 0 272.352 2.085 10 0 CEAERO COc1cc(OC)c(CN[C@@H](C)CC[NH+](C)C)c(OC)c1 ZINC000049553806 522797172 /nfs/dbraw/zinc/79/71/72/522797172.db2.gz WDQSOXGNLBMKIG-LBPRGKRZSA-N 1 0 296.411 2.142 10 0 CEAERO CC[C@@H]([NH2+]C)c1cccc(S(=O)(=O)N[C@H]2C[C@@H]2C)c1 ZINC000052295449 522807000 /nfs/dbraw/zinc/80/70/00/522807000.db2.gz OQOXDIONPRKPSS-GDLCADMTSA-N 1 0 282.409 2.044 10 0 CEAERO CC[C@@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccccc1 ZINC000051627058 522809649 /nfs/dbraw/zinc/80/96/49/522809649.db2.gz RROQPYHQDKLZSD-CQSZACIVSA-N 1 0 261.369 2.270 10 0 CEAERO COc1cc(OC)cc(O[C@@H]([C@H](C)[NH3+])C(F)(F)F)c1 ZINC000068806427 522873838 /nfs/dbraw/zinc/87/38/38/522873838.db2.gz PSXYSGMNHJUJQP-CPCISQLKSA-N 1 0 279.258 2.361 10 0 CEAERO CC[C@@H](NS(=O)(=O)c1cccc([C@@H](C)[NH3+])c1)C(C)C ZINC000049147325 522904210 /nfs/dbraw/zinc/90/42/10/522904210.db2.gz FHLFUJWLOCUYAI-BXUZGUMPSA-N 1 0 284.425 2.419 10 0 CEAERO CC[C@@H]([NH2+][C@@H](C)c1cccc(Br)c1)C(N)=O ZINC000061676813 522914049 /nfs/dbraw/zinc/91/40/49/522914049.db2.gz LIEPTAIIHDREQJ-GZMMTYOYSA-N 1 0 285.185 2.364 10 0 CEAERO CN(CC[C@@H]1CCCC[NH2+]1)C(=O)CC[C@@H]1CCCCO1 ZINC000069388398 522927058 /nfs/dbraw/zinc/92/70/58/522927058.db2.gz VPWOUQUGWBQFJB-GJZGRUSLSA-N 1 0 282.428 2.326 10 0 CEAERO COCc1cccc(NC(=O)[C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000049511979 523073049 /nfs/dbraw/zinc/07/30/49/523073049.db2.gz PXYLJNVIDIJMEU-WCQYABFASA-N 1 0 262.353 2.160 10 0 CEAERO COCc1cccc(OCCCC[C@](C)([NH3+])C(=O)OC)c1 ZINC000069508461 523083808 /nfs/dbraw/zinc/08/38/08/523083808.db2.gz DVMIAENMZFZORJ-INIZCTEOSA-N 1 0 295.379 2.273 10 0 CEAERO CN(C[C@]1(C[NH2+]C2CC2)CCOC1)c1ccc(F)cc1 ZINC000051252711 523150655 /nfs/dbraw/zinc/15/06/55/523150655.db2.gz ZOCAULVVEMLXFU-MRXNPFEDSA-N 1 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UVHRYKXHIGLKDG-GFCCVEGCSA-N 1 0 265.353 2.373 10 0 CEAERO COCCN(C)CC[NH2+]C1CC(c2ccccc2OC)C1 ZINC000061376424 523601154 /nfs/dbraw/zinc/60/11/54/523601154.db2.gz OEOGRWSCJWGZQD-UHFFFAOYSA-N 1 0 292.423 2.109 10 0 CEAERO COCC[N@H+](C)CCn1c2cccc(F)c2[nH]c1=S ZINC000061379967 523619620 /nfs/dbraw/zinc/61/96/20/523619620.db2.gz FJIXDSZZVNSKOC-UHFFFAOYSA-N 1 0 283.372 2.416 10 0 CEAERO CN(c1cc(C(N)=[NH2+])c2ccccc2n1)[C@@H]1CCSC1 ZINC000068797705 523631040 /nfs/dbraw/zinc/63/10/40/523631040.db2.gz FHFODSOWGBVCQX-SNVBAGLBSA-N 1 0 286.404 2.461 10 0 CEAERO COCCN(CC(C)C)C(=O)C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000055133050 523670650 /nfs/dbraw/zinc/67/06/50/523670650.db2.gz UVSNYYMRFYFVPE-KGLIPLIRSA-N 1 0 270.417 2.025 10 0 CEAERO CN1C(=O)CCC[C@H]([NH3+])[C@H]1c1c(F)cccc1Cl ZINC000070292073 523681914 /nfs/dbraw/zinc/68/19/14/523681914.db2.gz LYGDCMLVYBVTGJ-GWCFXTLKSA-N 1 0 270.735 2.490 10 0 CEAERO CC[C@@]1(C(=O)NC[C@@H]2Cc3ccccc32)CCC[NH2+]C1 ZINC000062855917 523693402 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523776730 /nfs/dbraw/zinc/77/67/30/523776730.db2.gz OMSXPLZQKSQETP-UHFFFAOYSA-N 1 0 294.424 2.378 10 0 CEAERO C[NH+]1CCC(Oc2ccc(C(N)=S)cc2Cl)CC1 ZINC000062796467 523783550 /nfs/dbraw/zinc/78/35/50/523783550.db2.gz VSDPRGYGAYGPGZ-UHFFFAOYSA-N 1 0 284.812 2.447 10 0 CEAERO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc2c1CCCN2 ZINC000061412502 523796427 /nfs/dbraw/zinc/79/64/27/523796427.db2.gz LOUDOFMKNXTJGC-CYBMUJFWSA-N 1 0 287.407 2.259 10 0 CEAERO COc1ccc(C)cc1C(=O)N1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000052943841 523801398 /nfs/dbraw/zinc/80/13/98/523801398.db2.gz FKNIVYLJUNMAQB-CABCVRRESA-N 1 0 288.391 2.360 10 0 CEAERO C[N@@H+]1CCCN(c2nnc(Cl)c3ccccc32)CC1 ZINC000050529076 523813616 /nfs/dbraw/zinc/81/36/16/523813616.db2.gz VYSNHKDXSYBRTI-UHFFFAOYSA-N 1 0 276.771 2.425 10 0 CEAERO COC(=O)[C@@](C)(C[C@@H](C)[N@H+](CC1CC1)C1CC1)NC1CC1 ZINC000068648314 523815839 /nfs/dbraw/zinc/81/58/39/523815839.db2.gz XWALDXYGTLORKZ-SJKOYZFVSA-N 1 0 294.439 2.323 10 0 CEAERO C[N@@H+]1CCC[C@@H](Nc2ccc(Cl)cc2C(N)=S)C1 ZINC000052858461 523817127 /nfs/dbraw/zinc/81/71/27/523817127.db2.gz ASSLCIKYJOEULE-SNVBAGLBSA-N 1 0 283.828 2.480 10 0 CEAERO COC(=O)[C@H](C)Oc1c(C[NH2+]CC(C)C)cccc1OC ZINC000062732342 523887052 /nfs/dbraw/zinc/88/70/52/523887052.db2.gz CMWPKMJLVAQRRU-LBPRGKRZSA-N 1 0 295.379 2.381 10 0 CEAERO CCc1ccc(C(=O)NC[C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000062036945 523891309 /nfs/dbraw/zinc/89/13/09/523891309.db2.gz JLWWXHYRTMMWMX-OCCSQVGLSA-N 1 0 260.381 2.367 10 0 CEAERO COC(=O)[C@H](CC[N@H+](C)[C@@H](C)C(C)(C)C)NC1CC1 ZINC000062456781 523898248 /nfs/dbraw/zinc/89/82/48/523898248.db2.gz WKKOPXSRCBOKBO-AAEUAGOBSA-N 1 0 270.417 2.037 10 0 CEAERO COc1ccc(CCC(=O)N[C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000063211378 523924731 /nfs/dbraw/zinc/92/47/31/523924731.db2.gz KJOWAGAIIHRHSZ-CVEARBPZSA-N 1 0 290.407 2.404 10 0 CEAERO COCC[NH2+]CCCCOc1cc(F)cc(F)c1 ZINC000054934990 523936324 /nfs/dbraw/zinc/93/63/24/523936324.db2.gz BHUNLARIPNTMAW-UHFFFAOYSA-N 1 0 259.296 2.360 10 0 CEAERO COCC[NH2+]C[C@@H]1CCCCN1c1ccc(Cl)cn1 ZINC000053700914 523940726 /nfs/dbraw/zinc/94/07/26/523940726.db2.gz YQBWJUZYLYZRTQ-ZDUSSCGKSA-N 1 0 283.803 2.330 10 0 CEAERO COCC[NH2+]C[C@@](O)(CC(C)C)c1ccccc1 ZINC000055033688 523942594 /nfs/dbraw/zinc/94/25/94/523942594.db2.gz KKWBLAGIPGBZER-HNNXBMFYSA-N 1 0 251.370 2.156 10 0 CEAERO COCC[NH2+]C[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000062721063 523943362 /nfs/dbraw/zinc/94/33/62/523943362.db2.gz DTJOEKJOAJZUOU-NXEZZACHSA-N 1 0 259.271 2.443 10 0 CEAERO COCC[NH2+]C[C@H]1C[C@H]1c1cccc(OC)c1OC ZINC000054598620 523944733 /nfs/dbraw/zinc/94/47/33/523944733.db2.gz RUQJQBIGWYPRJV-DGCLKSJQSA-N 1 0 265.353 2.043 10 0 CEAERO COCC[NH2+]Cc1cc(Cl)ccc1OCCOC ZINC000062730992 523948715 /nfs/dbraw/zinc/94/87/15/523948715.db2.gz FMZVXXJEIUUWRC-UHFFFAOYSA-N 1 0 273.760 2.101 10 0 CEAERO CC[C@H](C)[NH+]1CCN(Cc2cc(CO)ccc2OC)CC1 ZINC000055069531 523956970 /nfs/dbraw/zinc/95/69/70/523956970.db2.gz DZBUCHVXXSBZAL-AWEZNQCLSA-N 1 0 292.423 2.104 10 0 CEAERO CO[C@H](c1nc(C2CC[NH2+]CC2)no1)c1ccccc1 ZINC000062253166 523959479 /nfs/dbraw/zinc/95/94/79/523959479.db2.gz QOMOBWNKXIUDLY-ZDUSSCGKSA-N 1 0 273.336 2.272 10 0 CEAERO CO[C@H]1CCC[C@@H](OC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC000070322858 523977042 /nfs/dbraw/zinc/97/70/42/523977042.db2.gz HBJMGTCGOFUOKL-UMNHJUIQSA-N 1 0 295.301 2.029 10 0 CEAERO COC(=O)[C@](C)(N)C[C@@H](C)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000068641760 524002312 /nfs/dbraw/zinc/00/23/12/524002312.db2.gz JXAYDFZIXGUYAI-UKPHBRMFSA-N 1 0 290.407 2.145 10 0 CEAERO CCc1ccc(OC[C@@]([NH2+]C2CC2)(C(N)=O)C2CC2)cc1 ZINC000069197149 524006943 /nfs/dbraw/zinc/00/69/43/524006943.db2.gz XZMMZIRIMXGVMS-KRWDZBQOSA-N 1 0 288.391 2.014 10 0 CEAERO COc1ccc(CNC(=O)CC[C@@H]2CCCC[NH2+]2)cc1 ZINC000050939541 524047620 /nfs/dbraw/zinc/04/76/20/524047620.db2.gz MXACYYMSWUFGKS-AWEZNQCLSA-N 1 0 276.380 2.234 10 0 CEAERO C[NH+](C)CCCCNc1[nH+]c2c(cc1C(=O)[O-])CCC2 ZINC000054530831 524052963 /nfs/dbraw/zinc/05/29/63/524052963.db2.gz QQFMEJMJPVOMGH-UHFFFAOYSA-N 1 0 277.368 2.022 10 0 CEAERO CNC(=O)CCCOc1ccc2c(c1)OC(C)(C)C[C@H]2[NH3+] ZINC000068816619 524065543 /nfs/dbraw/zinc/06/55/43/524065543.db2.gz YUVATMCMDPLVJL-CYBMUJFWSA-N 1 0 292.379 2.153 10 0 CEAERO Cc1ccc(C)c(CC(=O)N2[C@H](C)C[NH2+]C[C@@H]2C)c1 ZINC000069133228 524091627 /nfs/dbraw/zinc/09/16/27/524091627.db2.gz UHEPBNCXWNCHMU-OKILXGFUSA-N 1 0 260.381 2.055 10 0 CEAERO CNC(=O)[C@H](C)Oc1ccccc1C[NH2+]C(C)(C)C ZINC000062729239 524101720 /nfs/dbraw/zinc/10/17/20/524101720.db2.gz FDSOMMMALXZNOI-NSHDSACASA-N 1 0 264.369 2.088 10 0 CEAERO C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(NN)[nH+]c1 ZINC000051119148 524128689 /nfs/dbraw/zinc/12/86/89/524128689.db2.gz RBDCHOMSAPOXQC-PWSUYJOCSA-N 1 0 262.357 2.018 10 0 CEAERO C[C@H]1CCC[C@@H](C[NH3+])N1C(=O)Cc1cccs1 ZINC000070151592 524133368 /nfs/dbraw/zinc/13/33/68/524133368.db2.gz HPDAABPMRWAXJR-QWRGUYRKSA-N 1 0 252.383 2.019 10 0 CEAERO C[C@H]1CCC[C@@H](C[NH3+])N1C(=O)c1ccc2c(c1)COC2 ZINC000070151728 524134619 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COc1cccc(C[NH2+][C@H](CN(C)C)C(C)C)c1OC ZINC000049196493 526036507 /nfs/dbraw/zinc/03/65/07/526036507.db2.gz YBVKGFYSKDLFKC-CQSZACIVSA-N 1 0 280.412 2.380 10 0 CEAERO C[C@H](c1cccc(Br)c1)N1C[C@@H]([NH3+])CC1=O ZINC000049570141 526071669 /nfs/dbraw/zinc/07/16/69/526071669.db2.gz JJFADBCZQDEYAM-KCJUWKMLSA-N 1 0 283.169 2.070 10 0 CEAERO Cc1ccc(C(=O)N2[C@H](C)C[NH2+]C[C@@H]2C)cc1Cl ZINC000069133346 526141433 /nfs/dbraw/zinc/14/14/33/526141433.db2.gz GNTRSQIIDCMIDA-PHIMTYICSA-N 1 0 266.772 2.471 10 0 CEAERO C[C@@H](c1nc2cc(Cl)ccc2o1)N1CC[NH2+]CC1 ZINC000051658321 526173799 /nfs/dbraw/zinc/17/37/99/526173799.db2.gz YLMJCBSITHBTNH-VIFPVBQESA-N 1 0 265.744 2.447 10 0 CEAERO C[C@H]1CCC(=O)[C@@H](C[N@@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000061653359 526236671 /nfs/dbraw/zinc/23/66/71/526236671.db2.gz CZEQUEGYXXTNMY-BFHYXJOUSA-N 1 0 252.402 2.018 10 0 CEAERO Cc1ccc(C(N)=O)c(NCc2ccc(CC[NH3+])cc2)c1 ZINC000052899454 526252300 /nfs/dbraw/zinc/25/23/00/526252300.db2.gz CYXLHYFNFQCEIU-UHFFFAOYSA-N 1 0 283.375 2.207 10 0 CEAERO C[C@H]1CCCN(C(=O)[C@H]([NH3+])Cc2ccccc2)[C@H]1C ZINC000050565454 526266294 /nfs/dbraw/zinc/26/62/94/526266294.db2.gz BLALIFGSJMYBBN-KCQAQPDRSA-N 1 0 260.381 2.203 10 0 CEAERO O=C([O-])[C@@H]1CCC[C@H]1[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000062753257 526276679 /nfs/dbraw/zinc/27/66/79/526276679.db2.gz OVEAGUBHBIESJN-HUUCEWRRSA-N 1 0 280.412 2.190 10 0 CEAERO Cc1nn(C[C@H]2CCOC2)c(C)c1C[NH2+]CC(C)C ZINC000054717623 526285889 /nfs/dbraw/zinc/28/58/89/526285889.db2.gz JPTRATSTJZHSDO-CQSZACIVSA-N 1 0 265.401 2.282 10 0 CEAERO Cc1nn([C@@H](C[NH3+])c2cccnc2)c(C)c1Br ZINC000050589170 526302682 /nfs/dbraw/zinc/30/26/82/526302682.db2.gz HTJYWMMCNIHNHT-NSHDSACASA-N 1 0 295.184 2.206 10 0 CEAERO Cc1nn([C@@H](C[NH3+])c2ccncc2)c(C)c1Cl ZINC000050586396 526303037 /nfs/dbraw/zinc/30/30/37/526303037.db2.gz SEJMPYWJHBTRHL-NSHDSACASA-N 1 0 250.733 2.096 10 0 CEAERO Cc1nn([C@@H]2CCCC[C@@H]2O)c(C)c1C[NH2+]C(C)C ZINC000054599989 526303311 /nfs/dbraw/zinc/30/33/11/526303311.db2.gz QWEMWWCHPANTGV-CABCVRRESA-N 1 0 265.401 2.474 10 0 CEAERO Cc1nn([C@H]2CCCC[C@@H]2O)c(C)c1C[NH2+]C1CC1 ZINC000054599994 526307010 /nfs/dbraw/zinc/30/70/10/526307010.db2.gz SFAZYBFQDHUMTE-GJZGRUSLSA-N 1 0 263.385 2.228 10 0 CEAERO Fc1ccc(OC2CCOCC2)c(N2CCC[NH2+]CC2)c1 ZINC000069310933 526356195 /nfs/dbraw/zinc/35/61/95/526356195.db2.gz YCUSWFDNOQEDQL-UHFFFAOYSA-N 1 0 294.370 2.183 10 0 CEAERO Cc1csc(C[NH2+]C[C@@H]2CNc3ccccc3O2)n1 ZINC000049539148 526356459 /nfs/dbraw/zinc/35/64/59/526356459.db2.gz PQUKVOIZRKDODE-LLVKDONJSA-N 1 0 275.377 2.414 10 0 CEAERO Fc1ccc2sc(CN3CC[NH2+]CC3)cc2c1 ZINC000052860995 526379699 /nfs/dbraw/zinc/37/96/99/526379699.db2.gz LNTQZQPVEKFWPH-UHFFFAOYSA-N 1 0 250.342 2.446 10 0 CEAERO c1cc(CCN2CCCC[C@H]2[C@@H]2CCC[NH2+]2)ccn1 ZINC000063190425 526420691 /nfs/dbraw/zinc/42/06/91/526420691.db2.gz HJLDRENXIHFDGL-HOTGVXAUSA-N 1 0 259.397 2.231 10 0 CEAERO c1ccc([C@@H]2C[N@H+](CC3CCOCC3)CCN2)cc1 ZINC000068693518 526493069 /nfs/dbraw/zinc/49/30/69/526493069.db2.gz AOPOFMQGBODYLN-INIZCTEOSA-N 1 0 260.381 2.060 10 0 CEAERO c1ccc2c(c1)CCN2c1ccc(C[NH2+]C2CC2)nn1 ZINC000051435211 526504985 /nfs/dbraw/zinc/50/49/85/526504985.db2.gz KGBLWDMVUDHSBS-UHFFFAOYSA-N 1 0 266.348 2.423 10 0 CEAERO c1cnc(COc2ccc(C[NH2+]C3CC3)cc2)nc1 ZINC000054458308 526540661 /nfs/dbraw/zinc/54/06/61/526540661.db2.gz CQLWTZMTMBGEKY-UHFFFAOYSA-N 1 0 255.321 2.308 10 0 CEAERO O=C(CC[C@@H]1CCCC[NH2+]1)Nc1ccccc1CO ZINC000050944815 526547906 /nfs/dbraw/zinc/54/79/06/526547906.db2.gz SJKDJKQWMXCQPV-ZDUSSCGKSA-N 1 0 262.353 2.040 10 0 CEAERO O=C(CC[C@H]1CCCC[NH2+]1)NC[C@H]1CC=CCC1 ZINC000050951947 526565365 /nfs/dbraw/zinc/56/53/65/526565365.db2.gz XMAFQFHUVQHJBR-UONOGXRCSA-N 1 0 250.386 2.381 10 0 CEAERO c1csc(CC[NH2+]CCOC2CCOCC2)c1 ZINC000053591069 526578584 /nfs/dbraw/zinc/57/85/84/526578584.db2.gz CHGICLIDUHSJLE-UHFFFAOYSA-N 1 0 255.383 2.076 10 0 CEAERO c1csc(C[NH2+]C[C@H]2CNc3ccccc3O2)n1 ZINC000049538984 526580596 /nfs/dbraw/zinc/58/05/96/526580596.db2.gz WYSGYKQUUZFIFU-JTQLQIEISA-N 1 0 261.350 2.106 10 0 CEAERO c1nn(-c2ccccc2)cc1CO[C@@H]1CCC[NH2+]C1 ZINC000051787259 526618847 /nfs/dbraw/zinc/61/88/47/526618847.db2.gz IUPGFRZYGUFFKW-OAHLLOKOSA-N 1 0 257.337 2.141 10 0 CEAERO Cc1nc(C)n(Cc2cccc(C[NH2+]C3CC3)c2)n1 ZINC000052574347 526764410 /nfs/dbraw/zinc/76/44/10/526764410.db2.gz YDUFDCMIHJIFKD-UHFFFAOYSA-N 1 0 256.353 2.195 10 0 CEAERO NC(=[NH2+])c1c(Cl)cccc1OC[C@@H]1CCOC1 ZINC000052907645 526819440 /nfs/dbraw/zinc/81/94/40/526819440.db2.gz XNABALYXQCVWJG-MRVPVSSYSA-N 1 0 254.717 2.039 10 0 CEAERO NC(=[NH2+])c1c(Cl)cccc1OC[C@H]1CCOC1 ZINC000052907648 526819860 /nfs/dbraw/zinc/81/98/60/526819860.db2.gz XNABALYXQCVWJG-QMMMGPOBSA-N 1 0 254.717 2.039 10 0 CEAERO NC(=[NH2+])c1ncccc1COCCc1cccs1 ZINC000061658840 526825967 /nfs/dbraw/zinc/82/59/67/526825967.db2.gz IZTVSEUWWQFKCW-UHFFFAOYSA-N 1 0 261.350 2.186 10 0 CEAERO O=C(C[NH2+]C1CCCC1)Nc1nc2c(s1)CCCC2 ZINC000049559555 526876393 /nfs/dbraw/zinc/87/63/93/526876393.db2.gz NDQBQDDYHMOZRB-UHFFFAOYSA-N 1 0 279.409 2.493 10 0 CEAERO Cc1nc(CNC[C@H]2Cc3ccccc3C[NH2+]2)cs1 ZINC000049539063 526887847 /nfs/dbraw/zinc/88/78/47/526887847.db2.gz NHXZXBWQRYXTKI-CQSZACIVSA-N 1 0 273.405 2.256 10 0 CEAERO Cc1nc(C[C@@H]([NH3+])c2ccc3c(c2)OCCO3)cs1 ZINC000055294726 526917996 /nfs/dbraw/zinc/91/79/96/526917996.db2.gz DYDIALFNGROSDU-GFCCVEGCSA-N 1 0 276.361 2.465 10 0 CEAERO Clc1cc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)ncn1 ZINC000049571785 526929170 /nfs/dbraw/zinc/92/91/70/526929170.db2.gz CIZULSGPESCKAJ-VHSXEESVSA-N 1 0 252.749 2.169 10 0 CEAERO Clc1cnn(Cc2ccoc2C[NH2+]C2CC2)c1 ZINC000052577173 527001302 /nfs/dbraw/zinc/00/13/02/527001302.db2.gz QISQEEDOBUGHOK-UHFFFAOYSA-N 1 0 251.717 2.430 10 0 CEAERO NC(=O)c1ccccc1C[NH2+]Cc1ccc(F)c(F)c1 ZINC000049577839 527089983 /nfs/dbraw/zinc/08/99/83/527089983.db2.gz LTEGFJPUGDALMV-UHFFFAOYSA-N 1 0 276.286 2.354 10 0 CEAERO Cn1c2ccc([C@H]([NH3+])c3ccsc3)cc2oc1=O ZINC000051361855 527106328 /nfs/dbraw/zinc/10/63/28/527106328.db2.gz CDKBEGBXHJSRNL-LBPRGKRZSA-N 1 0 260.318 2.241 10 0 CEAERO NC(=S)C[C@H](c1ccccc1)[NH+]1CCN(C2CC2)CC1 ZINC000055025076 527108652 /nfs/dbraw/zinc/10/86/52/527108652.db2.gz LRVQCDLVONCPSE-OAHLLOKOSA-N 1 0 289.448 2.184 10 0 CEAERO NC(=S)c1c(Cl)cccc1N[C@@H]1C[NH+]2CCC1CC2 ZINC000052904106 527113191 /nfs/dbraw/zinc/11/31/91/527113191.db2.gz VECCBBUOLKLPFJ-GFCCVEGCSA-N 1 0 295.839 2.480 10 0 CEAERO O=Cc1cc(F)ccc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062980953 527144982 /nfs/dbraw/zinc/14/49/82/527144982.db2.gz WPMBABFMUJWMIM-AWEZNQCLSA-N 1 0 262.328 2.313 10 0 CEAERO [NH3+]CC1(CN2CCCc3ccccc32)CCOCC1 ZINC000052181018 527163103 /nfs/dbraw/zinc/16/31/03/527163103.db2.gz IUPSVLUGGITGMM-UHFFFAOYSA-N 1 0 260.381 2.195 10 0 CEAERO [NH3+]CCCN(c1ccc(F)cc1)C1CCOCC1 ZINC000069289697 527178792 /nfs/dbraw/zinc/17/87/92/527178792.db2.gz RAPUVGBQZHJGNU-UHFFFAOYSA-N 1 0 252.333 2.160 10 0 CEAERO [NH3+]CCCN(Cc1ncccn1)C1CCCCCC1 ZINC000054458613 527179241 /nfs/dbraw/zinc/17/92/41/527179241.db2.gz BVEDIEIDKBQZDJ-UHFFFAOYSA-N 1 0 262.401 2.350 10 0 CEAERO O=S(=O)(C[C@@H]1CCCC[NH2+]1)Nc1cccc(Cl)c1 ZINC000049630810 527181127 /nfs/dbraw/zinc/18/11/27/527181127.db2.gz TYULMJYBFOADBP-LBPRGKRZSA-N 1 0 288.800 2.224 10 0 CEAERO [NH3+]CCCc1noc(Cc2c(F)cccc2Cl)n1 ZINC000054139260 527184883 /nfs/dbraw/zinc/18/48/83/527184883.db2.gz PCSIVCOZJMZHTP-UHFFFAOYSA-N 1 0 269.707 2.344 10 0 CEAERO [NH3+]CC[C@@H](Sc1nnnn1C1CC1)c1ccccc1 ZINC000055019503 527190868 /nfs/dbraw/zinc/19/08/68/527190868.db2.gz MSFRYJNTKRMQPU-GFCCVEGCSA-N 1 0 275.381 2.190 10 0 CEAERO [NH3+]CCc1nccn1Cc1ccc(Br)cc1F ZINC000052304197 527199346 /nfs/dbraw/zinc/19/93/46/527199346.db2.gz KEWNNBFRMCMODY-UHFFFAOYSA-N 1 0 298.159 2.334 10 0 CEAERO [NH3+]C[C@@H](C(=O)N1CCOc2ccccc21)c1ccccc1 ZINC000061612681 527200052 /nfs/dbraw/zinc/20/00/52/527200052.db2.gz KJCIQJCVAXAMOO-CQSZACIVSA-N 1 0 282.343 2.155 10 0 CEAERO [NH3+]C[C@@H](c1nncn1-c1ccccc1)c1ccccc1 ZINC000061609643 527207336 /nfs/dbraw/zinc/20/73/36/527207336.db2.gz QJDDYDJCCCUSEN-OAHLLOKOSA-N 1 0 264.332 2.358 10 0 CEAERO [NH3+]C[C@@]1(Cc2cc(Br)cs2)CCOC1 ZINC000054637724 527221957 /nfs/dbraw/zinc/22/19/57/527221957.db2.gz MNZOEQNWGPJUME-JTQLQIEISA-N 1 0 276.199 2.419 10 0 CEAERO [NH3+]C[C@@]1(Cc2cccc(Br)c2)CCOC1 ZINC000054637637 527222628 /nfs/dbraw/zinc/22/26/28/527222628.db2.gz NIMJQGFUJMAMAL-LBPRGKRZSA-N 1 0 270.170 2.357 10 0 CEAERO [NH3+]C[C@H](c1ccc(F)cc1)N1CCC[C@@H]1CCCO ZINC000052757556 527230247 /nfs/dbraw/zinc/23/02/47/527230247.db2.gz PVGYVGXZGSTLNG-HUUCEWRRSA-N 1 0 266.360 2.062 10 0 CEAERO Cn1cc(C[C@H](C[NH3+])Cc2ccc(Cl)cc2)cn1 ZINC000052947595 527232988 /nfs/dbraw/zinc/23/29/88/527232988.db2.gz YAPIQIJFQWFFJV-GFCCVEGCSA-N 1 0 263.772 2.434 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)Nc1ccccc1F ZINC000061884355 527236385 /nfs/dbraw/zinc/23/63/85/527236385.db2.gz KGRVXPVRSCKIIG-MWLCHTKSSA-N 1 0 251.305 2.075 10 0 CEAERO [NH3+]C[C@]1(Cc2cc(Br)ccc2F)CCOC1 ZINC000054637568 527241962 /nfs/dbraw/zinc/24/19/62/527241962.db2.gz CVDUUPGZDRSNNS-GFCCVEGCSA-N 1 0 288.160 2.496 10 0 CEAERO [NH3+]Cc1ccc(-c2nc(Cc3ccncc3)no2)cc1 ZINC000053129525 527250639 /nfs/dbraw/zinc/25/06/39/527250639.db2.gz OXOKWWINCXEJDS-UHFFFAOYSA-N 1 0 266.304 2.181 10 0 CEAERO [NH3+]Cc1cccc(CSc2nnc3ccccn32)c1 ZINC000061407238 527259622 /nfs/dbraw/zinc/25/96/22/527259622.db2.gz MOTWCVUHCCSXQZ-UHFFFAOYSA-N 1 0 270.361 2.480 10 0 CEAERO [NH3+]Cc1cnn(CCOc2ccc(Br)cc2)c1 ZINC000054716812 527263644 /nfs/dbraw/zinc/26/36/44/527263644.db2.gz NRQVNXAHBYOAJE-UHFFFAOYSA-N 1 0 296.168 2.183 10 0 CEAERO [NH3+]Cc1nccn1Cc1ccccc1Br ZINC000051004186 527267650 /nfs/dbraw/zinc/26/76/50/527267650.db2.gz DVNXCRSCMOVWIG-UHFFFAOYSA-N 1 0 266.142 2.153 10 0 CEAERO NNc1ccc(Cl)c(COc2ccc(CO)cc2)[nH+]1 ZINC000061639454 527280431 /nfs/dbraw/zinc/28/04/31/527280431.db2.gz WORGIONWNMOEJK-UHFFFAOYSA-N 1 0 279.727 2.092 10 0 CEAERO [NH3+][C@@H](c1cc(Cl)ccc1Cl)[C@@H]1COCCO1 ZINC000055299134 527337951 /nfs/dbraw/zinc/33/79/51/527337951.db2.gz RCNUUOVCVIFMTP-QWRGUYRKSA-N 1 0 262.136 2.409 10 0 CEAERO [NH3+][C@@H](c1cnn(-c2ccccc2)c1)C1CCOCC1 ZINC000061671508 527338691 /nfs/dbraw/zinc/33/86/91/527338691.db2.gz VOBASHKMJZAKII-OAHLLOKOSA-N 1 0 257.337 2.299 10 0 CEAERO [NH3+][C@@H](c1noc(-c2ccc3c(c2)CCO3)n1)C1CC1 ZINC000050892668 527340231 /nfs/dbraw/zinc/34/02/31/527340231.db2.gz VYMJLOBRWPWKHC-GFCCVEGCSA-N 1 0 257.293 2.081 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1NC(=O)CCCc1c[nH]c2ccccc12 ZINC000063172793 527352570 /nfs/dbraw/zinc/35/25/70/527352570.db2.gz GCLRLGUMGZETQU-ZBFHGGJFSA-N 1 0 285.391 2.487 10 0 CEAERO [NH3+][C@@H]1CCCc2nc(N3CCCSCC3)sc21 ZINC000054898648 527363223 /nfs/dbraw/zinc/36/32/23/527363223.db2.gz NDOCBXKHBSWSBM-SECBINFHSA-N 1 0 269.439 2.423 10 0 CEAERO [NH3+][C@H](CC[C@@H]1CCCCO1)c1ccc2[nH]c(=O)oc2c1 ZINC000069389703 527385511 /nfs/dbraw/zinc/38/55/11/527385511.db2.gz CSTSIVGFTWBGLE-NWDGAFQWSA-N 1 0 276.336 2.470 10 0 CEAERO [NH3+][C@H](Cc1cccc(Br)c1)c1cncnc1 ZINC000052887040 527388005 /nfs/dbraw/zinc/38/80/05/527388005.db2.gz BNUNIUQAJAESTP-GFCCVEGCSA-N 1 0 278.153 2.482 10 0 CEAERO [NH3+][C@H](C[C@H]1CCCO1)c1ccc2c(c1)OCCCO2 ZINC000055205971 527388808 /nfs/dbraw/zinc/38/88/08/527388808.db2.gz AICYIAPVZDQVBU-CHWSQXEVSA-N 1 0 263.337 2.417 10 0 CEAERO [NH3+][C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000052886930 527390970 /nfs/dbraw/zinc/39/09/70/527390970.db2.gz OGROMRUDUAMFCL-LLVKDONJSA-N 1 0 264.126 2.287 10 0 CEAERO [NH3+][C@H](c1cnn(-c2ccccc2)c1)C1CCOCC1 ZINC000061671509 527392388 /nfs/dbraw/zinc/39/23/88/527392388.db2.gz VOBASHKMJZAKII-HNNXBMFYSA-N 1 0 257.337 2.299 10 0 CEAERO [NH3+][C@H]1CCC2(C[C@@H]1OCCCc1ccccc1)OCCO2 ZINC000045627595 527393485 /nfs/dbraw/zinc/39/34/85/527393485.db2.gz RZLSWMDASACOHY-HOTGVXAUSA-N 1 0 291.391 2.259 10 0 CEAERO [NH3+][C@H]1CCCCC[C@H]1NC(=O)c1cc(F)c(F)c(F)c1 ZINC000063210034 527395623 /nfs/dbraw/zinc/39/56/23/527395623.db2.gz VAYNIQHFAGSBDJ-NWDGAFQWSA-N 1 0 286.297 2.494 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000063173621 527407702 /nfs/dbraw/zinc/40/77/02/527407702.db2.gz JIEKXSXJLUDHDE-WDEREUQCSA-N 1 0 272.270 2.315 10 0 CEAERO [NH3+][C@H]1c2ccccc2CC[C@H]1S(=O)(=O)c1ccccc1 ZINC000061702634 527420378 /nfs/dbraw/zinc/42/03/78/527420378.db2.gz DXGFZJJXGZOFRE-CVEARBPZSA-N 1 0 287.384 2.475 10 0 CEAERO Nc1cc(C(=O)NCC[NH+]2CCCCC2)ccc1Cl ZINC000049574375 527445628 /nfs/dbraw/zinc/44/56/28/527445628.db2.gz BMXDHAUWAXWHGB-UHFFFAOYSA-N 1 0 281.787 2.138 10 0 CEAERO Nc1ccc(CN2CC[C@H]([NH+]3CCCCC3)C2)c(F)c1 ZINC000069400479 527482297 /nfs/dbraw/zinc/48/22/97/527482297.db2.gz IJGBBZRGOMDHBH-HNNXBMFYSA-N 1 0 277.387 2.468 10 0 CEAERO OCCC[C@@H]1CCC[N@@H+]1CCCOCC(F)(F)F ZINC000052762366 527542992 /nfs/dbraw/zinc/54/29/92/527542992.db2.gz BQMCWXGCCHQVGU-NSHDSACASA-N 1 0 269.307 2.192 10 0 CEAERO Nc1nc2ccccc2cc1C[NH+]1CCSCC1 ZINC000050791844 527560794 /nfs/dbraw/zinc/56/07/94/527560794.db2.gz PUBWDWQXACQQQG-UHFFFAOYSA-N 1 0 259.378 2.366 10 0 CEAERO Nc1nc2ccccc2cc1C[N@@H+]1CCCC[C@H]1CO ZINC000050817063 527560877 /nfs/dbraw/zinc/56/08/77/527560877.db2.gz FSYNZZVKAIBOBU-AWEZNQCLSA-N 1 0 271.364 2.164 10 0 CEAERO Cc1nn(C)c(-n2cc(Cl)cn2)c1C[NH2+]CC(C)C ZINC000062738681 527597149 /nfs/dbraw/zinc/59/71/49/527597149.db2.gz ZRLMXTFTLUQHBN-UHFFFAOYSA-N 1 0 281.791 2.313 10 0 CEAERO OC[C@H]1CCCC[C@@H]1[NH2+]Cc1cncc(Br)c1 ZINC000183716159 527615937 /nfs/dbraw/zinc/61/59/37/527615937.db2.gz BGVCPNGJNJRQDA-YPMHNXCESA-N 1 0 299.212 2.485 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)[NH2+][C@H](CO)c1ccccc1 ZINC000063000800 527658632 /nfs/dbraw/zinc/65/86/32/527658632.db2.gz NPQCRZINVZNKRW-IAQYHMDHSA-N 1 0 273.380 2.421 10 0 CEAERO O[C@@H](c1ccc(F)c(Br)c1)[C@H]1CCC[NH2+]1 ZINC000069843720 527665906 /nfs/dbraw/zinc/66/59/06/527665906.db2.gz QDURKODDJINVBJ-MNOVXSKESA-N 1 0 274.133 2.374 10 0 CEAERO O[C@@H]1CCCc2nc(N3CC[NH+](CC4CC4)CC3)sc21 ZINC000054928410 527674055 /nfs/dbraw/zinc/67/40/55/527674055.db2.gz JULYIPNESCFWSX-CYBMUJFWSA-N 1 0 293.436 2.045 10 0 CEAERO FC(F)(F)[C@H]1CCCN(CC[NH2+]C2CCOCC2)C1 ZINC000062767582 527678458 /nfs/dbraw/zinc/67/84/58/527678458.db2.gz OILJZHVBPTVPGH-NSHDSACASA-N 1 0 280.334 2.029 10 0 CEAERO FC(F)(F)c1ccn(C[C@@H]2CC[C@H](C[NH2+]C3CC3)O2)n1 ZINC000052592665 527687797 /nfs/dbraw/zinc/68/77/97/527687797.db2.gz TXFWVPOZGJHMSA-MNOVXSKESA-N 1 0 289.301 2.202 10 0 CEAERO CCC[C@@H](C(=O)Nc1ccc2c(c1)NC(=O)CC2)[NH+](C)C ZINC000119515850 528849294 /nfs/dbraw/zinc/84/92/94/528849294.db2.gz GOXKJVFKVQYBTR-AWEZNQCLSA-N 1 0 289.379 2.240 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCS[C@H](C(C)C)C2)C1 ZINC000174234931 529054153 /nfs/dbraw/zinc/05/41/53/529054153.db2.gz HTLUWYBDFSBCPI-KGLIPLIRSA-N 1 0 299.484 2.254 10 0 CEAERO CC(C)(C)Oc1ccc(NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc1 ZINC000261671790 535011760 /nfs/dbraw/zinc/01/17/60/535011760.db2.gz GIEORBUTSGNJLM-KGLIPLIRSA-N 1 0 292.379 2.309 10 0 CEAERO CC(C)C[NH+]1CCN(c2cccc(F)c2C(N)=S)CC1 ZINC000093407658 535106248 /nfs/dbraw/zinc/10/62/48/535106248.db2.gz YYFITGUEOQACCD-UHFFFAOYSA-N 1 0 295.427 2.238 10 0 CEAERO CC[C@@H]1C[NH2+]CCN1c1nnc(C)c2ccccc21 ZINC000110678447 535825259 /nfs/dbraw/zinc/82/52/59/535825259.db2.gz XDTWDTPCJGAEGL-GFCCVEGCSA-N 1 0 256.353 2.126 10 0 CEAERO C[NH2+][C@H]1CCN(S(=O)(=O)C(C)(C)C)c2ccccc21 ZINC000071324994 536418573 /nfs/dbraw/zinc/41/85/73/536418573.db2.gz LSQCJYWWXQCGQR-LBPRGKRZSA-N 1 0 282.409 2.286 10 0 CEAERO CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)[C@@H]([NH3+])C(C)C ZINC000262115136 536672498 /nfs/dbraw/zinc/67/24/98/536672498.db2.gz IHFVMMRBAJSGNI-SWHYSGLUSA-N 1 0 282.359 2.001 10 0 CEAERO CC(C)[C@H](C(=O)O[C@H](C)[C@@H]1CCOC1)[NH+]1CCCCC1 ZINC000125284975 649887687 /nfs/dbraw/zinc/88/76/87/649887687.db2.gz XNOPJOTVPBOBCJ-RBSFLKMASA-N 1 0 283.412 2.465 10 0 CEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)c(OC)c1 ZINC000757185458 574511674 /nfs/dbraw/zinc/51/16/74/574511674.db2.gz UUVAEUACZVJXPS-WDEREUQCSA-N 1 0 283.755 2.215 10 0 CEAERO Cc1ncsc1[C@@H]1C[NH2+]C[C@@H]1C(=O)OC(C)(C)C ZINC000757191327 574511990 /nfs/dbraw/zinc/51/19/90/574511990.db2.gz UHOZQSWWLWMBTI-ZJUUUORDSA-N 1 0 268.382 2.096 10 0 CEAERO CC(C)c1cncc(SC[C@@H]2C[NH2+]CCO2)c1 ZINC000757207543 574512328 /nfs/dbraw/zinc/51/23/28/574512328.db2.gz BWSGHOXJLXMGTN-LBPRGKRZSA-N 1 0 252.383 2.286 10 0 CEAERO CC(C)[C@H]1[NH2+][C@@]2(CN3CCC2CC3)OCC1(C)C ZINC000757142291 574510321 /nfs/dbraw/zinc/51/03/21/574510321.db2.gz DADAYLPOJPWMBV-HIFRSBDPSA-N 1 0 252.402 2.079 10 0 CEAERO COC(=O)CCc1nc(C2([NH3+])CCCCCCC2)no1 ZINC000757182671 574511510 /nfs/dbraw/zinc/51/15/10/574511510.db2.gz KGPKHEIMMUVPPC-UHFFFAOYSA-N 1 0 281.356 2.074 10 0 CEAERO COc1ccc([C@@H](C[NH3+])NC(=O)OC(C)(C)C)c(OC)c1 ZINC000019414496 567837482 /nfs/dbraw/zinc/83/74/82/567837482.db2.gz ZGJAIJXWRLTOKZ-GFCCVEGCSA-N 1 0 296.367 2.228 10 0 CEAERO CCC[C@@H](C[NH3+])[C@@H](O)c1cnn(Cc2ccccc2)c1 ZINC000394426745 570281946 /nfs/dbraw/zinc/28/19/46/570281946.db2.gz ADDUIKCTDBSDOD-GOEBONIOSA-N 1 0 273.380 2.340 10 0 CEAERO C[C@H]([NH3+])[C@@H]1COc2c(F)cc(Br)cc2C1 ZINC000675063533 570365992 /nfs/dbraw/zinc/36/59/92/570365992.db2.gz HHVLKIFEHKKLOO-XPUUQOCRSA-N 1 0 274.133 2.487 10 0 CEAERO Cn1cncc1-c1ccc(OC2CC[NH2+]CC2)cc1 ZINC000096152676 625516833 /nfs/dbraw/zinc/51/68/33/625516833.db2.gz HEOQJAWPLLYXNB-UHFFFAOYSA-N 1 0 257.337 2.218 10 0 CEAERO COC(=O)[C@H]1C[N@H+](Cc2csc(C)c2)C[C@H]1C ZINC000310387108 625537731 /nfs/dbraw/zinc/53/77/31/625537731.db2.gz QQJWGMOHRCYYEV-SKDRFNHKSA-N 1 0 253.367 2.297 10 0 CEAERO [NH3+][C@H]1CCCN(C(=O)/C=C\c2ccnc3ccccc23)C1 ZINC000254971007 622700660 /nfs/dbraw/zinc/70/06/60/622700660.db2.gz KZFAFKXDHZKARW-DANTVBBOSA-N 1 0 281.359 2.198 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)/C=C\c2cccs2)C1 ZINC000255054764 622915405 /nfs/dbraw/zinc/91/54/05/622915405.db2.gz ODOBOUKXHLCNSQ-KRZKBDHCSA-N 1 0 264.394 2.362 10 0 CEAERO CON1CCC([NH2+][C@@H](C)CN(C)Cc2ccccc2)CC1 ZINC000323045236 622925078 /nfs/dbraw/zinc/92/50/78/622925078.db2.gz DMMPJPXIKOVWLO-HNNXBMFYSA-N 1 0 291.439 2.122 10 0 CEAERO CCOC(=O)c1ccc(N[C@@H](C)[C@H]2CCC[NH2+]C2)nc1 ZINC000050163951 623328826 /nfs/dbraw/zinc/32/88/26/623328826.db2.gz VTQXZLCANWLPHK-RYUDHWBXSA-N 1 0 277.368 2.058 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)c1cc(-c2ccccc2)ns1 ZINC000261675013 623428569 /nfs/dbraw/zinc/42/85/69/623428569.db2.gz HBXHZVGIVBJNKV-SNVBAGLBSA-N 1 0 275.377 2.148 10 0 CEAERO COC(=O)Nc1cccc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089454740 623466046 /nfs/dbraw/zinc/46/60/46/623466046.db2.gz MJHOCMBUBKZAGE-MFKMUULPSA-N 1 0 291.351 2.178 10 0 CEAERO Cc1ccc(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)c(Cl)c1 ZINC000235633605 625682060 /nfs/dbraw/zinc/68/20/60/625682060.db2.gz NWFZCMPBGUXFSW-CABZTGNLSA-N 1 0 252.745 2.068 10 0 CEAERO C[C@H]1CN(C(=O)c2csc3ccccc23)C[C@@H]1[NH3+] ZINC000235685543 625704812 /nfs/dbraw/zinc/70/48/12/625704812.db2.gz JKNVZWFMMQATHP-CABZTGNLSA-N 1 0 260.362 2.321 10 0 CEAERO C[C@@H]1CC[C@@H](C(=O)O[C@H]2CC[N@H+](Cc3ccccc3)C2)O1 ZINC000248116644 624826979 /nfs/dbraw/zinc/82/69/79/624826979.db2.gz CYPOICAOBHADNB-KBMXLJTQSA-N 1 0 289.375 2.372 10 0 CEAERO C[C@H](Cc1cccc(F)c1)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000248879991 627279627 /nfs/dbraw/zinc/27/96/27/627279627.db2.gz RXDVTRAXNGXLMY-XUJVJEKNSA-N 1 0 278.371 2.261 10 0 CEAERO Cc1cc2c(ncnc2N2CC[C@@H]3[NH2+]CC[C@H]3C2)s1 ZINC000311698463 627691577 /nfs/dbraw/zinc/69/15/77/627691577.db2.gz LRHUSSLYGIMRDB-JQWIXIFHSA-N 1 0 274.393 2.188 10 0 CEAERO c1cc2c(s1)CCO[C@@H]2C[NH2+][C@H]1CCSC1 ZINC000309647111 628186452 /nfs/dbraw/zinc/18/64/52/628186452.db2.gz WHWGGXIXIZGZOS-GXSJLCMTSA-N 1 0 255.408 2.457 10 0 CEAERO COC(=O)[C@@H]1C[N@H+](Cc2ccc(F)cc2C)C[C@@H]1C ZINC000093762881 628710435 /nfs/dbraw/zinc/71/04/35/628710435.db2.gz UEGOUSNCEDMAEJ-SMDDNHRTSA-N 1 0 265.328 2.375 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H](CC)c1nc(C)cs1 ZINC000236891739 628732124 /nfs/dbraw/zinc/73/21/24/628732124.db2.gz WVXIXRJMQFWFIR-INTQDDNPSA-N 1 0 269.414 2.392 10 0 CEAERO COC[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc(CC(C)C)cc1 ZINC000159162337 628735645 /nfs/dbraw/zinc/73/56/45/628735645.db2.gz ZXOXRFXAKUBBRX-IUODEOHRSA-N 1 0 278.396 2.036 10 0 CEAERO CC[C@H]([NH2+]C1CCN(CCO)CC1)c1ccc(C)cc1 ZINC000399018733 628768997 /nfs/dbraw/zinc/76/89/97/628768997.db2.gz GSNXSHPUADUYNA-KRWDZBQOSA-N 1 0 276.424 2.492 10 0 CEAERO Cc1cc2c(ncnc2N2CC[C@@H]3[NH2+]CC[C@@H]3C2)s1 ZINC000311698464 628769346 /nfs/dbraw/zinc/76/93/46/628769346.db2.gz LRHUSSLYGIMRDB-PWSUYJOCSA-N 1 0 274.393 2.188 10 0 CEAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1CCN(CCO)CC1 ZINC000399245592 628787691 /nfs/dbraw/zinc/78/76/91/628787691.db2.gz JZUYOMDBPLFZGI-OIISXLGYSA-N 1 0 282.472 2.494 10 0 CEAERO Cc1cc(C(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)ccc1N ZINC000094444513 628917456 /nfs/dbraw/zinc/91/74/56/628917456.db2.gz ZPANATIBQKLSGP-DZGCQCFKSA-N 1 0 287.407 2.276 10 0 CEAERO C[C@H]1C[C@@H](C[NH3+])CN1c1cncc(Br)c1 ZINC000261532085 628934792 /nfs/dbraw/zinc/93/47/92/628934792.db2.gz JATXJPUCAYALKU-IUCAKERBSA-N 1 0 270.174 2.018 10 0 CEAERO Cc1nc(N2CC[C@@H]([NH3+])[C@@H]2C)ccc1Br ZINC000261534734 628935857 /nfs/dbraw/zinc/93/58/57/628935857.db2.gz MYHBFNREZKPLOT-WCBMZHEXSA-N 1 0 270.174 2.078 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1Nc1cncc(Br)c1 ZINC000261534603 628935863 /nfs/dbraw/zinc/93/58/63/628935863.db2.gz MSOPKDUBJMXJMZ-GZMMTYOYSA-N 1 0 270.174 2.397 10 0 CEAERO CC[C@@H](C)c1ccc(S(=O)(=O)NC[C@@H](C)[NH2+]C)cc1 ZINC000261574782 628939818 /nfs/dbraw/zinc/93/98/18/628939818.db2.gz XVFDUUDOMJBKTN-VXGBXAGGSA-N 1 0 284.425 2.086 10 0 CEAERO CCCCCC(C)(C)CNC(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000094988585 628946045 /nfs/dbraw/zinc/94/60/45/628946045.db2.gz YGTMQZDBWMHOGJ-CHWSQXEVSA-N 1 0 270.417 2.086 10 0 CEAERO COC(=O)[C@H]1C[N@H+](Cc2ccc(OC)c(F)c2)C[C@H]1C ZINC000094996571 628946238 /nfs/dbraw/zinc/94/62/38/628946238.db2.gz WVZBYUZXFDLCOZ-PWSUYJOCSA-N 1 0 281.327 2.075 10 0 CEAERO CCN1CCC[C@@H]([NH2+]Cc2ccc(O)c(F)c2)C1 ZINC000232422429 628947787 /nfs/dbraw/zinc/94/77/87/628947787.db2.gz NJQYRYUJPDKMNP-GFCCVEGCSA-N 1 0 252.333 2.105 10 0 CEAERO COC[C@]1(C(=O)N[C@H](C)c2ccccc2Cl)CC[NH2+]C1 ZINC000261672302 628982159 /nfs/dbraw/zinc/98/21/59/628982159.db2.gz FZFWCIHUOQWGNV-ABAIWWIYSA-N 1 0 296.798 2.143 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C)c(C(=O)OC)c1 ZINC000237005726 629148868 /nfs/dbraw/zinc/14/88/68/629148868.db2.gz UXSFVEXHFZWPMB-NOZJJQNGSA-N 1 0 278.352 2.094 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCc2cc(F)ccc2C1 ZINC000237054355 629180798 /nfs/dbraw/zinc/18/07/98/629180798.db2.gz ZZRSJJUIHJIDQH-IINYFYTJSA-N 1 0 264.344 2.084 10 0 CEAERO Cc1sc2ncnc(N3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)c2c1C ZINC000261758743 629184668 /nfs/dbraw/zinc/18/46/68/629184668.db2.gz NNDDTPKIILQTHV-SDDRHHMPSA-N 1 0 288.420 2.482 10 0 CEAERO CCOc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)cc1OCC ZINC000261802666 629247589 /nfs/dbraw/zinc/24/75/89/629247589.db2.gz YWHVOFGCTFHDSA-WCQYABFASA-N 1 0 292.379 2.046 10 0 CEAERO CN(Cc1ncccc1Br)[C@@H]1CCC[NH2+]CC1 ZINC000310375728 629251431 /nfs/dbraw/zinc/25/14/31/629251431.db2.gz ZHZTTXGXGUBWAM-LLVKDONJSA-N 1 0 298.228 2.418 10 0 CEAERO CC(C)N(C)c1ccc(CN2CCCC[C@H]2C[NH3+])cn1 ZINC000262033509 629479503 /nfs/dbraw/zinc/47/95/03/629479503.db2.gz XLGVDPQXMZUBAV-HNNXBMFYSA-N 1 0 276.428 2.239 10 0 CEAERO Cc1cc(CN2C[C@H]([NH+](C)C)[C@@H](C)C2)cc(Cl)n1 ZINC000320497106 630824927 /nfs/dbraw/zinc/82/49/27/630824927.db2.gz STEGZJWJRUJPKJ-GWCFXTLKSA-N 1 0 267.804 2.425 10 0 CEAERO C[NH2+]CCC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000049844427 631180735 /nfs/dbraw/zinc/18/07/35/631180735.db2.gz CMISLGYGXCLNHJ-VIFPVBQESA-N 1 0 285.185 2.236 10 0 CEAERO C[C@@H]([NH2+]CC(=O)N1CCO[C@@H](C)C1)c1cccc(Cl)c1 ZINC000192479004 631718315 /nfs/dbraw/zinc/71/83/15/631718315.db2.gz NMSKLGMFWKSIRL-NWDGAFQWSA-N 1 0 296.798 2.238 10 0 CEAERO Nc1cc[nH+]c(-c2ccc(C(F)(F)F)nc2)c1N ZINC000757571820 631913444 /nfs/dbraw/zinc/91/34/44/631913444.db2.gz MXYWWXWFCQEPKP-UHFFFAOYSA-N 1 0 254.215 2.327 10 0 CEAERO C[C@@H]1CCC[C@H](NC(=O)C2CCC([NH3+])CC2)[C@H]1C ZINC000251728414 634970042 /nfs/dbraw/zinc/97/00/42/634970042.db2.gz IUUJEXWNLIRETH-CJQNXBEJSA-N 1 0 252.402 2.445 10 0 CEAERO CC[NH2+]CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000044290928 638997597 /nfs/dbraw/zinc/99/75/97/638997597.db2.gz IILNEZCVUWDNPH-LBPRGKRZSA-N 1 0 260.381 2.352 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC=CO2)C12CCOCC2 ZINC000188571969 639423082 /nfs/dbraw/zinc/42/30/82/639423082.db2.gz GGZKPGIXDQJWQF-RRFJBIMHSA-N 1 0 281.396 2.243 10 0 CEAERO CCc1cccnc1-c1noc(C[C@H]([NH3+])C(C)C)n1 ZINC000157297169 639478139 /nfs/dbraw/zinc/47/81/39/639478139.db2.gz UZUJGEAOGKVVJJ-NSHDSACASA-N 1 0 260.341 2.220 10 0 CEAERO COc1cc(-c2noc([C@H]3CC[C@H]([NH3+])C3)n2)ccc1F ZINC000225481816 639498916 /nfs/dbraw/zinc/49/89/16/639498916.db2.gz KJUUOWKLZYCJIT-UWVGGRQHSA-N 1 0 277.299 2.479 10 0 CEAERO CCS(=O)(=O)c1ccc(NC[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000227644216 639599454 /nfs/dbraw/zinc/59/94/54/639599454.db2.gz AUJYIHJZYFNDDX-NEPJUHHUSA-N 1 0 282.409 2.020 10 0 CEAERO C[C@@H]1[C@@H]([NH2+]Cc2cnc[nH]2)CCCN1C(=O)OC(C)(C)C ZINC000230943663 639806258 /nfs/dbraw/zinc/80/62/58/639806258.db2.gz SKJJRYQRXJSVTF-YPMHNXCESA-N 1 0 294.399 2.287 10 0 CEAERO c1ccc2c(c1)O[C@H](c1noc([C@H]3CC[NH2+]C3)n1)CS2 ZINC000232460350 639926140 /nfs/dbraw/zinc/92/61/40/639926140.db2.gz TTZBPUYLNSFUNP-ONGXEEELSA-N 1 0 289.360 2.372 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cn1nccc1-c1ccncc1 ZINC000153202069 640426960 /nfs/dbraw/zinc/42/69/60/640426960.db2.gz ALCRYROKGQIVRG-GOEBONIOSA-N 1 0 297.406 2.071 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cn1cnc(-c2ccccc2)n1 ZINC000153237998 640437743 /nfs/dbraw/zinc/43/77/43/640437743.db2.gz GPFPPWQRJFFIEQ-GOEBONIOSA-N 1 0 297.406 2.071 10 0 CEAERO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)/C=C\c1ccccc1 ZINC000214338265 640870799 /nfs/dbraw/zinc/87/07/99/640870799.db2.gz ULVUYLUDAAIUSH-WQTVUKCASA-N 1 0 294.420 2.061 10 0 CEAERO C[NH+](C)[C@@H]1CCN(Cn2nc(C(C)(C)C)oc2=S)C1 ZINC000170842794 641339201 /nfs/dbraw/zinc/33/92/01/641339201.db2.gz MQHIZJYELKNYDD-SNVBAGLBSA-N 1 0 284.429 2.096 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)OCc2ccccc2)C1 ZINC000181689732 641583982 /nfs/dbraw/zinc/58/39/82/641583982.db2.gz AWHRGXPVJXFXQI-HNNXBMFYSA-N 1 0 291.395 2.244 10 0 CEAERO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCCO1 ZINC000184466209 641865215 /nfs/dbraw/zinc/86/52/15/641865215.db2.gz SCVGXMZUGBYGMX-IHRRRGAJSA-N 1 0 298.427 2.401 10 0 CEAERO C[C@H]([NH3+])C1CCN(c2ncnc3sccc32)CC1 ZINC000110651774 643455974 /nfs/dbraw/zinc/45/59/74/643455974.db2.gz QDXGDPCWNVPRDT-VIFPVBQESA-N 1 0 262.382 2.255 10 0 CEAERO CCOc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000126663881 650856047 /nfs/dbraw/zinc/85/60/47/650856047.db2.gz WWXDRPDIMCUWGE-OLZOCXBDSA-N 1 0 297.420 2.313 10 0 CEAERO Cc1cc2c(ncnc2N2CCCC[C@H]2C[NH3+])s1 ZINC000111237569 643734614 /nfs/dbraw/zinc/73/46/14/643734614.db2.gz GYSYVUHSGQIINN-JTQLQIEISA-N 1 0 262.382 2.317 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc2c1CCCC2 ZINC000111262953 643756088 /nfs/dbraw/zinc/75/60/88/643756088.db2.gz VGDRVEOSPXPWNR-BXUZGUMPSA-N 1 0 258.365 2.359 10 0 CEAERO C[N@H+](C[C@H](O)c1cccc(C(F)(F)F)c1)[C@@H]1CCOC1 ZINC000113315211 644332716 /nfs/dbraw/zinc/33/27/16/644332716.db2.gz FUIHTMGBYKDELT-OLZOCXBDSA-N 1 0 289.297 2.460 10 0 CEAERO CCOC(=O)[C@H]1CCC[N@H+](C[C@@](C)(O)c2ccccc2)C1 ZINC000126760872 650938791 /nfs/dbraw/zinc/93/87/91/650938791.db2.gz OCYDAJIDGPWTGV-WMLDXEAASA-N 1 0 291.391 2.169 10 0 CEAERO C[C@@H](NC(=O)C[C@@H]([NH3+])C1CC1)c1ccc(F)c(F)c1 ZINC000123661899 649096326 /nfs/dbraw/zinc/09/63/26/649096326.db2.gz VLTAYGKKNRVSKD-AMIZOPFISA-N 1 0 268.307 2.269 10 0 CEAERO Cc1sc2ncnc(N(C)[C@@H](C)C[NH3+])c2c1C ZINC000123759682 649151858 /nfs/dbraw/zinc/15/18/58/649151858.db2.gz WIWVTIBDTMPTTA-ZETCQYMHSA-N 1 0 250.371 2.092 10 0 CEAERO CC(C)[C@H](O)C[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000124801699 649745646 /nfs/dbraw/zinc/74/56/46/649745646.db2.gz UJZRYPQMQPIYRO-OLZOCXBDSA-N 1 0 291.313 2.345 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1Nc1ccc(Br)cn1 ZINC000129521736 652007737 /nfs/dbraw/zinc/00/77/37/652007737.db2.gz IMIRQOBEXFQQDT-WCBMZHEXSA-N 1 0 270.174 2.397 10 0 CEAERO COC[C@@H](C)C(=O)OCCC[N@H+](C)Cc1ccccc1 ZINC000129546089 652011844 /nfs/dbraw/zinc/01/18/44/652011844.db2.gz JQSISILEANDKCP-CQSZACIVSA-N 1 0 279.380 2.334 10 0 CEAERO Fc1cc(Cl)cnc1N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000132498778 652525984 /nfs/dbraw/zinc/52/59/84/652525984.db2.gz OFFLORCQPFUVPA-ZJUUUORDSA-N 1 0 255.724 2.205 10 0 CEAERO C[C@H]([NH2+]CC[S@@](C)=O)c1ccccc1Br ZINC000133795394 652720664 /nfs/dbraw/zinc/72/06/64/652720664.db2.gz CALQJZZBQIIBOM-VFZGTOFNSA-N 1 0 290.226 2.478 10 0 CEAERO C[C@H](C[C@@H]1COCCN1)[NH2+][C@H](C)c1cccs1 ZINC000134132970 652778012 /nfs/dbraw/zinc/77/80/12/652778012.db2.gz DQMCXQPUTZIVAD-IJLUTSLNSA-N 1 0 254.399 2.166 10 0 CEAERO Cc1nc2ccccc2nc1N[C@H]1CCC[NH2+][C@H]1C ZINC000229607027 282089208 /nfs/dbraw/zinc/08/92/08/282089208.db2.gz JAOPGAQJEYZZSM-JQWIXIFHSA-N 1 0 256.353 2.491 10 0 CEAERO [NH3+]C[C@@H](O[C@@H]1CCOC1)c1cc(Br)cs1 ZINC000082453054 178031885 /nfs/dbraw/zinc/03/18/85/178031885.db2.gz OLJGPGRKRSTFKY-RKDXNWHRSA-N 1 0 292.198 2.316 10 0 CEAERO CS(=O)(=O)CCS[C@H](C[NH3+])c1ccc(Cl)s1 ZINC000082516888 178078655 /nfs/dbraw/zinc/07/86/55/178078655.db2.gz AJJXJIDLECGHRI-MRVPVSSYSA-N 1 0 299.870 2.179 10 0 CEAERO [NH3+]Cc1nccnc1-c1cc(Br)cs1 ZINC000082575250 178116468 /nfs/dbraw/zinc/11/64/68/178116468.db2.gz MXVHCRSIOGDTCR-UHFFFAOYSA-N 1 0 270.155 2.426 10 0 CEAERO C[C@H](C[NH+]1CCCC1)Nc1ncc(Br)cn1 ZINC000082661970 178150253 /nfs/dbraw/zinc/15/02/53/178150253.db2.gz KOBILMBYVLUGFZ-SECBINFHSA-N 1 0 285.189 2.135 10 0 CEAERO OC[C@@H]1[C@H]([NH2+]Cc2ccccc2)CCN1Cc1ccccc1 ZINC000096028678 185067630 /nfs/dbraw/zinc/06/76/30/185067630.db2.gz DYOKZZGRVMNKAH-RTBURBONSA-N 1 0 296.414 2.412 10 0 CEAERO O=C(OCc1ccccc1)N1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC000096034410 185068459 /nfs/dbraw/zinc/06/84/59/185068459.db2.gz CYLXTAHWMBAPHI-KGLIPLIRSA-N 1 0 260.337 2.007 10 0 CEAERO C[C@@H]([NH2+]CCc1cccs1)C(=O)N1CCCCC1 ZINC000034936690 361797863 /nfs/dbraw/zinc/79/78/63/361797863.db2.gz SYNXOXGLNLYEEW-GFCCVEGCSA-N 1 0 266.410 2.281 10 0 CEAERO [NH3+]Cc1cc(Br)ccc1OC[C@H]1CCCO1 ZINC000034957933 361799681 /nfs/dbraw/zinc/79/96/81/361799681.db2.gz XZUHBGMLOBVERL-LLVKDONJSA-N 1 0 286.169 2.466 10 0 CEAERO Oc1ccc(Cl)cc1/C=N/CC1CC[NH2+]CC1 ZINC000034436043 361790533 /nfs/dbraw/zinc/79/05/33/361790533.db2.gz HOZLRRKDEXGYNW-CXUHLZMHSA-N 1 0 252.745 2.464 10 0 CEAERO [NH3+][C@H](C[S@](=O)c1ccccc1Br)C1CC1 ZINC000082747356 178269575 /nfs/dbraw/zinc/26/95/75/178269575.db2.gz SPRCQAZSEACFSL-MEBBXXQBSA-N 1 0 288.210 2.294 10 0 CEAERO Cc1nnc([C@@H]2C[C@H]3C[N@H+](Cc4cccs4)C[C@H]3O2)[nH]1 ZINC000096070502 185085682 /nfs/dbraw/zinc/08/56/82/185085682.db2.gz FMFQLSUUVNYQOK-WCFLWFBJSA-N 1 0 290.392 2.137 10 0 CEAERO CC(C)C(=O)N1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000096080860 185091070 /nfs/dbraw/zinc/09/10/70/185091070.db2.gz CUNWFWNIJNBGSY-HZPDHXFCSA-N 1 0 272.392 2.233 10 0 CEAERO Nc1cccc2c1CN(CC[NH+]1CCCCC1)CC2 ZINC000082790074 178295179 /nfs/dbraw/zinc/29/51/79/178295179.db2.gz PBMPLFXKTVMXDQ-UHFFFAOYSA-N 1 0 259.397 2.113 10 0 CEAERO C[C@@H]([NH3+])[C@H](CO)Sc1ccccc1Br ZINC000082987980 178332380 /nfs/dbraw/zinc/33/23/80/178332380.db2.gz TUNZOGTZZOCCOF-XCBNKYQSSA-N 1 0 276.199 2.249 10 0 CEAERO Cc1ccc(C)c(SCC(=O)N2CC[C@H]([NH3+])[C@H]2C)c1 ZINC000335502025 212180770 /nfs/dbraw/zinc/18/07/70/212180770.db2.gz TYHMYKJKOYEJNS-OLZOCXBDSA-N 1 0 278.421 2.344 10 0 CEAERO C[C@@H](C[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1)C(F)(F)F ZINC000336580731 365672381 /nfs/dbraw/zinc/67/23/81/365672381.db2.gz PSCMMUBNJQGJHV-CMPLNLGQSA-N 1 0 281.318 2.455 10 0 CEAERO [NH3+][C@@H](CO)CCSc1ccc(Br)cc1 ZINC000082904607 178329488 /nfs/dbraw/zinc/32/94/88/178329488.db2.gz OQQLLORYFFUSAM-SECBINFHSA-N 1 0 276.199 2.251 10 0 CEAERO CC(C)n1nnnc1C[N@@H+]1C[C@H](C)CCC[C@@H]1C ZINC000125203555 187174430 /nfs/dbraw/zinc/17/44/30/187174430.db2.gz XQECXYFLAPJYED-NEPJUHHUSA-N 1 0 251.378 2.265 10 0 CEAERO [NH3+][C@]1(Cc2ccc(Br)s2)CCOC1 ZINC000083186993 178351947 /nfs/dbraw/zinc/35/19/47/178351947.db2.gz XJHLJSQQDGUKAL-VIFPVBQESA-N 1 0 262.172 2.171 10 0 CEAERO [NH3+]CCSCC(=O)NCc1cccc(C(F)(F)F)c1 ZINC000096754768 185111450 /nfs/dbraw/zinc/11/14/50/185111450.db2.gz IWZLMENCWOYOSE-UHFFFAOYSA-N 1 0 292.326 2.014 10 0 CEAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)NC1CCCC1 ZINC000252892644 300310188 /nfs/dbraw/zinc/31/01/88/300310188.db2.gz OKMHSSXSRGONAJ-JSGCOSHPSA-N 1 0 265.401 2.197 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](c2ccccc2Br)O1 ZINC000036673169 361850627 /nfs/dbraw/zinc/85/06/27/361850627.db2.gz CQFGVXSNTPGXLO-GZMMTYOYSA-N 1 0 256.143 2.499 10 0 CEAERO C[NH2+]CCC(=O)c1cc(OC)c(Cl)cc1OC ZINC000096889976 185124152 /nfs/dbraw/zinc/12/41/52/185124152.db2.gz VQJYPLKOLLLRLW-UHFFFAOYSA-N 1 0 257.717 2.149 10 0 CEAERO C[C@H]([NH2+]CC(=O)NC1CC1)c1ccc(F)c(Cl)c1 ZINC000036782281 361858037 /nfs/dbraw/zinc/85/80/37/361858037.db2.gz DHXCWNYHFXNEQB-QMMMGPOBSA-N 1 0 270.735 2.408 10 0 CEAERO Cc1nccn1CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000125424934 187184000 /nfs/dbraw/zinc/18/40/00/187184000.db2.gz IGBIWSZPXMZZRB-STQMWFEESA-N 1 0 251.374 2.081 10 0 CEAERO Fc1ccc(-c2noc([C@H]3CCC[NH2+]C3)n2)cc1F ZINC000036888266 361867538 /nfs/dbraw/zinc/86/75/38/361867538.db2.gz SCUMZCUBIOJXCD-VIFPVBQESA-N 1 0 265.263 2.482 10 0 CEAERO CCN(CC)CC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000036878871 361867745 /nfs/dbraw/zinc/86/77/45/361867745.db2.gz GKDQGDZETGIXGI-UHFFFAOYSA-N 1 0 299.459 2.317 10 0 CEAERO C[C@H]1C[NH2+]CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000096958519 185142032 /nfs/dbraw/zinc/14/20/32/185142032.db2.gz DSHWMDLLXCEDTI-NSHDSACASA-N 1 0 254.374 2.243 10 0 CEAERO Cn1cnc([C@@H]([NH3+])Cc2ccc(Br)cc2)c1 ZINC000096978545 185145637 /nfs/dbraw/zinc/14/56/37/185145637.db2.gz BARBTQLWNKITJO-NSHDSACASA-N 1 0 280.169 2.425 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000096958582 185142208 /nfs/dbraw/zinc/14/22/08/185142208.db2.gz UNWNLPIFWJPVTN-RYUDHWBXSA-N 1 0 254.374 2.386 10 0 CEAERO [NH3+][C@@H](c1cncn1Cc1cccs1)[C@@H]1CCOC1 ZINC000097013765 185151624 /nfs/dbraw/zinc/15/16/24/185151624.db2.gz BPFRUYREPCJIJX-ZWNOBZJWSA-N 1 0 263.366 2.029 10 0 CEAERO Cc1ccc(C[C@@H](C)NC(=O)C[C@H]2CCC[NH2+]C2)s1 ZINC000080243450 344004272 /nfs/dbraw/zinc/00/42/72/344004272.db2.gz UDNGYLRZTNYTPC-DGCLKSJQSA-N 1 0 280.437 2.493 10 0 CEAERO COc1ccc(Br)cc1-n1cncc1CC[NH3+] ZINC000097023356 185154228 /nfs/dbraw/zinc/15/42/28/185154228.db2.gz ASNWGNUZNDBIDS-UHFFFAOYSA-N 1 0 296.168 2.145 10 0 CEAERO CC(C)OCCC[NH2+]Cc1cc2ccccc2n(C)c1=O ZINC000039287308 361987755 /nfs/dbraw/zinc/98/77/55/361987755.db2.gz QQOLOPGEOCJNMC-UHFFFAOYSA-N 1 0 288.391 2.443 10 0 CEAERO [NH3+]CC1([C@H](O)c2sccc2Br)CC1 ZINC000306406053 539167975 /nfs/dbraw/zinc/16/79/75/539167975.db2.gz XDFCFAXAFTUJLA-MRVPVSSYSA-N 1 0 262.172 2.283 10 0 CEAERO Cc1ccc2c(c1Br)NC[C@@]21C[C@H]1[NH3+] ZINC000725246984 539191948 /nfs/dbraw/zinc/19/19/48/539191948.db2.gz CMFVQWWCTGCQRN-KCJUWKMLSA-N 1 0 253.143 2.152 10 0 CEAERO Cc1ccc2c(c1Br)[C@]1(C[C@H]1[NH3+])CN2 ZINC000725247466 539192510 /nfs/dbraw/zinc/19/25/10/539192510.db2.gz NJSSIKHLCONILP-LDYMZIIASA-N 1 0 253.143 2.152 10 0 CEAERO CCCNC(=O)NC[C@@H]([NH3+])C1CCC(C(C)C)CC1 ZINC000725255101 539201000 /nfs/dbraw/zinc/20/10/00/539201000.db2.gz SBSPAVCUJMXBQU-JXQTWKCFSA-N 1 0 269.433 2.485 10 0 CEAERO CC(C)CC(=O)N1CC[C@@H]2CC[C@]21[C@@H]1CCC[NH2+]C1 ZINC000725263585 539212118 /nfs/dbraw/zinc/21/21/18/539212118.db2.gz SGEJUHUDGNLAKV-SQWLQELKSA-N 1 0 264.413 2.413 10 0 CEAERO CC(C)C(=O)N1CC[C@@H]2CC[C@@]21[C@@H]1CCC[NH2+]C1 ZINC000725263437 539212163 /nfs/dbraw/zinc/21/21/63/539212163.db2.gz GWOXPTXNAWGQPK-GUTXKFCHSA-N 1 0 250.386 2.023 10 0 CEAERO CCC(C)(C)NC(=O)N1CC[C@]2([NH3+])CCCC[C@H]12 ZINC000725264594 539212946 /nfs/dbraw/zinc/21/29/46/539212946.db2.gz XPWIOAPIJUVSGU-SMDDNHRTSA-N 1 0 253.390 2.230 10 0 CEAERO CC(C)NC(=O)N1CCCc2cc(CC[NH3+])ccc21 ZINC000725265008 539213128 /nfs/dbraw/zinc/21/31/28/539213128.db2.gz PKDFPGZXRQHWBK-UHFFFAOYSA-N 1 0 261.369 2.058 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCC[C@@H]1CCOC1 ZINC000401115829 539252408 /nfs/dbraw/zinc/25/24/08/539252408.db2.gz JKEJGUOAUOUPLP-BZUAXINKSA-N 1 0 266.429 2.362 10 0 CEAERO CC[N@@H+]1C[C@H](C)[C@H](NCc2ncc(Cl)s2)C1 ZINC000309667618 539272831 /nfs/dbraw/zinc/27/28/31/539272831.db2.gz UVIMGSGGFJVPMT-DTWKUNHWSA-N 1 0 259.806 2.226 10 0 CEAERO COC1CC([NH2+]Cc2nc(C)c(Br)s2)C1 ZINC000449403407 282222525 /nfs/dbraw/zinc/22/25/25/282222525.db2.gz WCPNRSZFMHIEKW-UHFFFAOYSA-N 1 0 291.214 2.481 10 0 CEAERO CCS(=O)(=O)c1ccc(NCCC2(C[NH3+])CC2)cc1 ZINC000395843308 539293336 /nfs/dbraw/zinc/29/33/36/539293336.db2.gz HGEYQBSSBPFRPB-UHFFFAOYSA-N 1 0 282.409 2.021 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]C[C@H](C)COC)c1C ZINC000045658191 362164159 /nfs/dbraw/zinc/16/41/59/362164159.db2.gz HOQNVACYRFDPHW-WDEREUQCSA-N 1 0 253.390 2.453 10 0 CEAERO Cc1cnc(N2CC[C@H]([NH+](C)C)C2)c(Br)c1 ZINC000097846322 539307828 /nfs/dbraw/zinc/30/78/28/539307828.db2.gz QDLNDOSLKURANM-JTQLQIEISA-N 1 0 284.201 2.293 10 0 CEAERO CC(C)[C@@H]([NH3+])C(=O)N[C@@H](C)c1cc(F)ccc1F ZINC000037007651 343425126 /nfs/dbraw/zinc/42/51/26/343425126.db2.gz FDENTWSHIPLFMJ-QPUJVOFHSA-N 1 0 256.296 2.125 10 0 CEAERO C[NH2+]CCN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1 ZINC000039043829 343435289 /nfs/dbraw/zinc/43/52/89/343435289.db2.gz BPITXGYDIPDCAP-XJKSGUPXSA-N 1 0 262.397 2.211 10 0 CEAERO COc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1C[NH3+] ZINC000044541675 343474076 /nfs/dbraw/zinc/47/40/76/343474076.db2.gz VBLNOKOTUGKWBT-NSHDSACASA-N 1 0 282.771 2.302 10 0 CEAERO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(O)ccc3F)CC[C@H]21 ZINC000295026391 199306592 /nfs/dbraw/zinc/30/65/92/199306592.db2.gz SAKNXDWHEZEYNV-XHDPSFHLSA-N 1 0 292.354 2.088 10 0 CEAERO COc1ccc([C@H](O)[C@H]([NH3+])CC(C)C)c(OC)c1 ZINC000054929578 343596506 /nfs/dbraw/zinc/59/65/06/343596506.db2.gz DYHKKSBDXQJYFD-OCCSQVGLSA-N 1 0 253.342 2.111 10 0 CEAERO CCC[C@H](C[NH3+])NC(=O)c1ccccc1Br ZINC000083567506 178582269 /nfs/dbraw/zinc/58/22/69/178582269.db2.gz KPQFZNOOUQKSHB-SECBINFHSA-N 1 0 285.185 2.306 10 0 CEAERO CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CCOc2ccccc21 ZINC000183475829 282308660 /nfs/dbraw/zinc/30/86/60/282308660.db2.gz BGMODVVKRILAPQ-CQSZACIVSA-N 1 0 297.358 2.401 10 0 CEAERO Cc1ccc(CN2CCO[C@H](C[NH+](C)C)C2)c(C)c1 ZINC000128133321 187353567 /nfs/dbraw/zinc/35/35/67/187353567.db2.gz RFDINGQYHPYLOF-MRXNPFEDSA-N 1 0 262.397 2.066 10 0 CEAERO [NH3+]C[C@@H]1CCCN1Cc1nc(-c2cccc(Cl)c2)no1 ZINC000128163237 187355127 /nfs/dbraw/zinc/35/51/27/187355127.db2.gz RLZDIFSBFWUJQG-LBPRGKRZSA-N 1 0 292.770 2.313 10 0 CEAERO Cc1cccc(NC(=O)C[N@@H+](C)[C@@H]2CCC[C@@H]2O)c1C ZINC000078480588 343954536 /nfs/dbraw/zinc/95/45/36/343954536.db2.gz AXRUMOXDWMVXTB-CABCVRRESA-N 1 0 276.380 2.087 10 0 CEAERO CCCOc1cccc(CN2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000128194057 187356822 /nfs/dbraw/zinc/35/68/22/187356822.db2.gz OAPJWRVDSPEZSC-QGZVFWFLSA-N 1 0 292.423 2.238 10 0 CEAERO Brc1cccc2sc(N3CC[NH2+]CC3)nc21 ZINC000084816570 344091086 /nfs/dbraw/zinc/09/10/86/344091086.db2.gz RMFNTPKWMXUWRB-UHFFFAOYSA-N 1 0 298.209 2.468 10 0 CEAERO OC1(C[NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)CCOCC1 ZINC000128897764 344338820 /nfs/dbraw/zinc/33/88/20/344338820.db2.gz CDQCXYUGKOKUHU-WDEREUQCSA-N 1 0 281.318 2.239 10 0 CEAERO C[NH2+][C@@](C)(CO)c1cc(Br)ccc1F ZINC000132177500 344362034 /nfs/dbraw/zinc/36/20/34/344362034.db2.gz XGJTVRGZLHGHGE-JTQLQIEISA-N 1 0 262.122 2.015 10 0 CEAERO Cc1occc1CN(C)C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000133372563 344368478 /nfs/dbraw/zinc/36/84/78/344368478.db2.gz JPRTYSKWLYIYDM-CQSZACIVSA-N 1 0 250.342 2.079 10 0 CEAERO COC(=O)c1cc(NC(=O)C[C@H]([NH3+])C(C)C)ccc1Cl ZINC000136322991 344384632 /nfs/dbraw/zinc/38/46/32/344384632.db2.gz LHDKFOXADRPOED-LBPRGKRZSA-N 1 0 298.770 2.439 10 0 CEAERO CC[C@H](C)[C@@H]([NH2+]C)[C@@H](CC(=O)OC(C)(C)C)OC ZINC000146654805 344410440 /nfs/dbraw/zinc/41/04/40/344410440.db2.gz VRBFIJCLCNKGGT-DMDPSCGWSA-N 1 0 259.390 2.367 10 0 CEAERO Oc1cccc(Cc2cc3c(cc2O)CC[NH2+]CC3)c1 ZINC000147370897 344412072 /nfs/dbraw/zinc/41/20/72/344412072.db2.gz GMCWCDDLCAZXKE-UHFFFAOYSA-N 1 0 269.344 2.377 10 0 CEAERO CN1c2ccccc2N(c2ccccc2)C[C@@H]([NH3+])C1=O ZINC000149796131 344415431 /nfs/dbraw/zinc/41/54/31/344415431.db2.gz VCKOSXIHOXMFFN-CYBMUJFWSA-N 1 0 267.332 2.128 10 0 CEAERO COc1c(C[NH2+]CC2(O)CCC(C)(C)CC2)c(C)nn1C ZINC000158336758 344450809 /nfs/dbraw/zinc/45/08/09/344450809.db2.gz UHMLTGXVXOJWET-UHFFFAOYSA-N 1 0 295.427 2.158 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1Oc1ccncc1Br ZINC000159994098 344457109 /nfs/dbraw/zinc/45/71/09/344457109.db2.gz CGPMQDXGVORJEN-SCZZXKLOSA-N 1 0 257.131 2.103 10 0 CEAERO [NH3+][C@@H](C[C@@H]1CCOC1)c1occc1Br ZINC000160851288 344462123 /nfs/dbraw/zinc/46/21/23/344462123.db2.gz OKCPMHABRJCCSV-CBAPKCEASA-N 1 0 260.131 2.469 10 0 CEAERO [NH3+][C@H](c1csc(Br)c1)c1cncnc1 ZINC000161416251 344464407 /nfs/dbraw/zinc/46/44/07/344464407.db2.gz QVRSWPDZDWCIPC-SECBINFHSA-N 1 0 270.155 2.349 10 0 CEAERO C[C@@H]1C[C@H]([NH3+])CCN1c1nc(Br)cs1 ZINC000169027424 344480772 /nfs/dbraw/zinc/48/07/72/344480772.db2.gz IIQSENAUICWUGI-RNFRBKRXSA-N 1 0 276.203 2.222 10 0 CEAERO NC(=O)c1cc[nH]c1[C@H]1CCC[N@@H+](C2CCSCC2)C1 ZINC000169789306 344482958 /nfs/dbraw/zinc/48/29/58/344482958.db2.gz UOSGTUFQLODYHL-NSHDSACASA-N 1 0 293.436 2.189 10 0 CEAERO Cc1nc2c([nH]1)C[C@H](C(=O)Nc1ccc(O)cc1)CC2 ZINC000220593737 344538356 /nfs/dbraw/zinc/53/83/56/344538356.db2.gz ISPWBMVKTLTDGO-SNVBAGLBSA-N 1 0 271.320 2.167 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CC2)[C@@H](F)C1 ZINC000223650916 344543203 /nfs/dbraw/zinc/54/32/03/344543203.db2.gz SVPOAIXSYHYJCJ-WDEREUQCSA-N 1 0 258.337 2.086 10 0 CEAERO [NH3+][C@H]1CN(Cc2ccccc2)C[C@@H]1[C@H]1CCCCO1 ZINC000225873846 344548022 /nfs/dbraw/zinc/54/80/22/344548022.db2.gz IZMCMZQESIQXER-HRCADAONSA-N 1 0 260.381 2.015 10 0 CEAERO [NH3+][C@@H](c1cscc1Br)c1cncnc1 ZINC000229832218 344568745 /nfs/dbraw/zinc/56/87/45/344568745.db2.gz YXJJTWGQNTZGSW-SECBINFHSA-N 1 0 270.155 2.349 10 0 CEAERO C[C@@H]([NH3+])C[C@H](O)c1ccc(F)cc1Br ZINC000235160276 344589753 /nfs/dbraw/zinc/58/97/53/344589753.db2.gz OFOQRQLFRWSXJK-LDWIPMOCSA-N 1 0 262.122 2.359 10 0 CEAERO C[C@@H]([NH3+])C[C@H](O)c1ccc(I)cc1 ZINC000235160309 344589855 /nfs/dbraw/zinc/58/98/55/344589855.db2.gz ZONCIDVAMTYPDU-XCBNKYQSSA-N 1 0 291.132 2.062 10 0 CEAERO CCc1ccc([C@@H](C)[NH2+][C@@H]2CCCNC2=O)s1 ZINC000050395473 362419641 /nfs/dbraw/zinc/41/96/41/362419641.db2.gz VWEJQXMMFYJHAE-MWLCHTKSSA-N 1 0 252.383 2.240 10 0 CEAERO Brc1ccc(OC[C@@H]2CCCC[NH2+]2)nc1 ZINC000051883453 362442799 /nfs/dbraw/zinc/44/27/99/362442799.db2.gz UHRHGENPTLAWHL-JTQLQIEISA-N 1 0 271.158 2.365 10 0 CEAERO CC[C@H]([NH3+])[C@@H](O)c1ccc(F)cc1Br ZINC000234044498 344583742 /nfs/dbraw/zinc/58/37/42/344583742.db2.gz JDCYQCUYYMQSLU-UWVGGRQHSA-N 1 0 262.122 2.359 10 0 CEAERO CC(C)CN(CC(C)C)C(=O)C[N@@H+]1CCC[C@H]1CCCO ZINC000052761938 362474037 /nfs/dbraw/zinc/47/40/37/362474037.db2.gz MOUDVGRMDVHYLA-INIZCTEOSA-N 1 0 298.471 2.364 10 0 CEAERO CN(C(=O)C[N@@H+]1CCC[C@@H]1CCCO)C1CCCCC1 ZINC000052762715 362474118 /nfs/dbraw/zinc/47/41/18/362474118.db2.gz ZMZMYAPDZDBGKB-OAHLLOKOSA-N 1 0 282.428 2.014 10 0 CEAERO [NH3+]Cc1cc(Br)cnc1Br ZINC000238630245 344606945 /nfs/dbraw/zinc/60/69/45/344606945.db2.gz DBDWCBMIJPUFTR-UHFFFAOYSA-N 1 0 265.936 2.065 10 0 CEAERO [NH3+]Cc1cc(Br)nc(OC(F)(F)F)c1 ZINC000238631337 344607206 /nfs/dbraw/zinc/60/72/06/344607206.db2.gz YFLUUQZATWUTTQ-UHFFFAOYSA-N 1 0 271.036 2.201 10 0 CEAERO O[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000250652508 344633851 /nfs/dbraw/zinc/63/38/51/344633851.db2.gz RHFKTLBHSWXSCG-GVDBMIGSSA-N 1 0 274.408 2.154 10 0 CEAERO CC[C@@H]([NH3+])c1nc2c[nH]cc(Br)c-2n1 ZINC000307160620 344720337 /nfs/dbraw/zinc/72/03/37/344720337.db2.gz DVSNZJYUYMDONI-ZCFIWIBFSA-N 1 0 255.119 2.130 10 0 CEAERO O=C(c1ccc(Cl)cn1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000311294615 344733352 /nfs/dbraw/zinc/73/33/52/344733352.db2.gz QYLJGNUNUZEYFK-LLVKDONJSA-N 1 0 279.771 2.092 10 0 CEAERO [NH3+]C[C@@]1(CO)C[C@@H]1c1cc(Cl)sc1Cl ZINC000306239860 344712437 /nfs/dbraw/zinc/71/24/37/344712437.db2.gz QNLYCMJKIIOMMY-HZGVNTEJSA-N 1 0 252.166 2.480 10 0 CEAERO C[C@H]1[C@@H](Nc2nccnc2N)CC[N@@H+]1Cc1ccccc1 ZINC000306729223 344716866 /nfs/dbraw/zinc/71/68/66/344716866.db2.gz OHDMMADNXJBAQU-JSGCOSHPSA-N 1 0 283.379 2.134 10 0 CEAERO Cc1ccc([C@H](O)C[N@@H+](C)C[C@H]2CCc3nccn3C2)cc1 ZINC000328623923 344756261 /nfs/dbraw/zinc/75/62/61/344756261.db2.gz CDMJPUBARHXIKJ-NVXWUHKLSA-N 1 0 299.418 2.419 10 0 CEAERO C[NH2+]CCOCc1cc(OC)ccc1Br ZINC000083709348 178721879 /nfs/dbraw/zinc/72/18/79/178721879.db2.gz KZLHTKMDFXIHMH-UHFFFAOYSA-N 1 0 274.158 2.194 10 0 CEAERO COC(C)(C)CCN1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000336784334 365802044 /nfs/dbraw/zinc/80/20/44/365802044.db2.gz OZLZUHTTZAXXQF-ZIAGYGMSSA-N 1 0 254.418 2.360 10 0 CEAERO [NH3+]C[C@H](Nc1cccc(Br)c1)[C@@H]1CCOC1 ZINC000083765304 178744017 /nfs/dbraw/zinc/74/40/17/178744017.db2.gz JKUNYBNXQDSBBR-SKDRFNHKSA-N 1 0 285.185 2.225 10 0 CEAERO [NH3+]C[C@@]1(Cc2ccccc2Br)CCC[C@H]1O ZINC000083777215 178745945 /nfs/dbraw/zinc/74/59/45/178745945.db2.gz LLULOIIHZWLIAO-OLZOCXBDSA-N 1 0 284.197 2.482 10 0 CEAERO C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2C#N)C[NH2+]1 ZINC000399022936 344856163 /nfs/dbraw/zinc/85/61/63/344856163.db2.gz IRRXWWGECBURTB-KOLCDFICSA-N 1 0 260.297 2.019 10 0 CEAERO C[C@H]([NH2+]C1CCN(CCO)CC1)c1ccc(F)c(F)c1 ZINC000399228119 344857633 /nfs/dbraw/zinc/85/76/33/344857633.db2.gz FRCANAQYGINZSI-NSHDSACASA-N 1 0 284.350 2.072 10 0 CEAERO OCCN1CCC[C@@H]([NH2+]Cc2c(F)cccc2Cl)C1 ZINC000394953079 344843767 /nfs/dbraw/zinc/84/37/67/344843767.db2.gz JFUAYJKXJMTQNN-LLVKDONJSA-N 1 0 286.778 2.025 10 0 CEAERO Cc1cnc(CC[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)c(C)c1 ZINC000401032656 344865703 /nfs/dbraw/zinc/86/57/03/344865703.db2.gz NENXIHAACAELQV-HRCADAONSA-N 1 0 274.408 2.334 10 0 CEAERO CCCc1ccc([C@H]([NH3+])C[S@](=O)CCOC)cc1 ZINC000084035673 178775679 /nfs/dbraw/zinc/77/56/79/178775679.db2.gz LNMLOSIVZHWQGW-KDOFPFPSSA-N 1 0 269.410 2.034 10 0 CEAERO O=C([C@@H]1CCCC[C@H]1[NH+]1CCCC1)N1CCCC1 ZINC000584605946 344964112 /nfs/dbraw/zinc/96/41/12/344964112.db2.gz ACNLORUZHFFDDZ-ZIAGYGMSSA-N 1 0 250.386 2.263 10 0 CEAERO COc1cc2c(cc1OC)CC([NH2+]CCCF)C2 ZINC000584618658 344966563 /nfs/dbraw/zinc/96/65/63/344966563.db2.gz UHWXROWAZWKIOT-UHFFFAOYSA-N 1 0 253.317 2.120 10 0 CEAERO CC[C@@](C)(O)c1nc([C@@H]2CC[C@@H](C)[NH2+]C2)oc1C ZINC000584636032 344970280 /nfs/dbraw/zinc/97/02/80/344970280.db2.gz RMLCIEBYRUWMTN-GLXFQSAKSA-N 1 0 252.358 2.456 10 0 CEAERO O[C@@]1(C2CC[NH2+]CC2)c2ccccc2Oc2ncccc21 ZINC000584638395 344971730 /nfs/dbraw/zinc/97/17/30/344971730.db2.gz SFGPWPWQSHVMTQ-KRWDZBQOSA-N 1 0 282.343 2.423 10 0 CEAERO C[C@H](CC1CC1)NC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000127316047 187297023 /nfs/dbraw/zinc/29/70/23/187297023.db2.gz YVDLPYVVZJLJKD-YRGRVCCFSA-N 1 0 252.402 2.317 10 0 CEAERO CCOC[C@H]([NH3+])Cc1ccc(Br)s1 ZINC000084063732 178783528 /nfs/dbraw/zinc/78/35/28/178783528.db2.gz BVUZEHMNXOHISS-SSDOTTSWSA-N 1 0 264.188 2.417 10 0 CEAERO C[C@H](C[N@H+](C)Cc1ccncc1Cl)C(N)=S ZINC000084085205 178784433 /nfs/dbraw/zinc/78/44/33/178784433.db2.gz SXPNKAZHAVBFRI-MRVPVSSYSA-N 1 0 257.790 2.089 10 0 CEAERO COC(=O)c1cc(C)ccc1NC(=O)CC1([NH3+])CCCC1 ZINC000084165916 178811550 /nfs/dbraw/zinc/81/15/50/178811550.db2.gz MBZQAKUSRJMMHM-UHFFFAOYSA-N 1 0 290.363 2.382 10 0 CEAERO [NH3+]C1(CC(=O)Nc2cccc(CO)c2)CCCCC1 ZINC000084167166 178811778 /nfs/dbraw/zinc/81/17/78/178811778.db2.gz HBRZJLKEKKYVLW-UHFFFAOYSA-N 1 0 262.353 2.169 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1ccc(F)c(F)c1 ZINC000054290192 362521869 /nfs/dbraw/zinc/52/18/69/362521869.db2.gz SSEYMCYCZRWYDD-VIFPVBQESA-N 1 0 254.280 2.293 10 0 CEAERO C[NH2+][C@H](C)C(=O)N[C@H](C)c1ccc(OC(C)C)cc1 ZINC000054072983 362509041 /nfs/dbraw/zinc/50/90/41/362509041.db2.gz SXNRJLVIKKHFQN-VXGBXAGGSA-N 1 0 264.369 2.259 10 0 CEAERO C[NH2+][C@H](C)C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000054074985 362510700 /nfs/dbraw/zinc/51/07/00/362510700.db2.gz YHFTVVHEYHPWNQ-ZJUUUORDSA-N 1 0 254.761 2.467 10 0 CEAERO CC(C)N(Cc1ccccn1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054308073 362526330 /nfs/dbraw/zinc/52/63/30/362526330.db2.gz XLMSBZUBIXFSDO-AWEZNQCLSA-N 1 0 275.396 2.208 10 0 CEAERO Cc1cc([C@H]2CCCN2C(=O)C[C@@H]2CCC[NH2+]C2)on1 ZINC000054308140 362526527 /nfs/dbraw/zinc/52/65/27/362526527.db2.gz HBBDCCWJQCBXLZ-QWHCGFSZSA-N 1 0 277.368 2.036 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000084269560 178836317 /nfs/dbraw/zinc/83/63/17/178836317.db2.gz OVIOFBQNYQCCMP-HOCLYGCPSA-N 1 0 293.432 2.467 10 0 CEAERO [NH3+]CCCCS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000084270064 178836789 /nfs/dbraw/zinc/83/67/89/178836789.db2.gz LSUDKTLHOBGMEU-UHFFFAOYSA-N 1 0 281.299 2.218 10 0 CEAERO C[NH2+][C@@H](C)[C@@H](C)Cc1c(Br)c(C)nn1C ZINC000084271740 178838098 /nfs/dbraw/zinc/83/80/98/178838098.db2.gz MNDPCHKONCKLPW-YUMQZZPRSA-N 1 0 274.206 2.278 10 0 CEAERO CCc1nn(C)c(C[C@H]([NH3+])C2CCC2)c1Br ZINC000084296026 178848467 /nfs/dbraw/zinc/84/84/67/178848467.db2.gz OPWPGAORJUYXBO-VIFPVBQESA-N 1 0 286.217 2.415 10 0 CEAERO C[C@@H]([NH3+])C[C@H](C)S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000084356788 178867257 /nfs/dbraw/zinc/86/72/57/178867257.db2.gz WARPOVZVOROHRJ-MNOVXSKESA-N 1 0 267.394 2.075 10 0 CEAERO CCOC(=O)[C@@](C)(C[C@H](C)[N@@H+]1CCCC1(C)C)NC ZINC000084357313 178868472 /nfs/dbraw/zinc/86/84/72/178868472.db2.gz RATFMZPKXCZNIL-SWLSCSKDSA-N 1 0 270.417 2.181 10 0 CEAERO C[C@H]([NH3+])C[C@H](C)Sc1ccc(S(C)(=O)=O)cc1 ZINC000084362259 178870162 /nfs/dbraw/zinc/87/01/62/178870162.db2.gz BTSTXVUUDIEKAD-UWVGGRQHSA-N 1 0 273.423 2.308 10 0 CEAERO Brc1ccc2[nH]c(C[C@@H]3CC[NH2+]C3)nc2c1 ZINC000084380094 178877138 /nfs/dbraw/zinc/87/71/38/178877138.db2.gz NNPIRPKOGQTLRR-QMMMGPOBSA-N 1 0 280.169 2.477 10 0 CEAERO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000057879212 362599285 /nfs/dbraw/zinc/59/92/85/362599285.db2.gz ZFHYFVUEURBNSW-RYUDHWBXSA-N 1 0 291.395 2.305 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH3+])c1cccc2cccnc21 ZINC000097217839 185567125 /nfs/dbraw/zinc/56/71/25/185567125.db2.gz HSSSRWSVMGDJSL-CQSZACIVSA-N 1 0 292.404 2.450 10 0 CEAERO CCC[NH2+][C@H](Cc1cc(C)nn1C)C[C@@H](C)COC ZINC000097273347 185575421 /nfs/dbraw/zinc/57/54/21/185575421.db2.gz YQALVPBTCJYVQX-OCCSQVGLSA-N 1 0 267.417 2.312 10 0 CEAERO COCC[NH2+]C[C@@](C)(O)C[C@H]1CCCc2ccccc21 ZINC000097241246 185571865 /nfs/dbraw/zinc/57/18/65/185571865.db2.gz UCEJZQZMBJDLNE-WBVHZDCISA-N 1 0 277.408 2.484 10 0 CEAERO [NH3+][C@H](Cc1ccccn1)[C@@H]1OCCc2ccccc21 ZINC000097272585 185576013 /nfs/dbraw/zinc/57/60/13/185576013.db2.gz PFMWZANGXZLGEV-HZPDHXFCSA-N 1 0 254.333 2.265 10 0 CEAERO CCC[NH2+][C@@H](CCOCC)Cc1ncnn1C(C)C ZINC000097277374 185577256 /nfs/dbraw/zinc/57/72/56/185577256.db2.gz KILACQFIUZYBSG-ZDUSSCGKSA-N 1 0 268.405 2.196 10 0 CEAERO CC(C)Cn1ncnc1C[C@@H]([NH3+])Cc1ccsc1 ZINC000097278395 185577764 /nfs/dbraw/zinc/57/77/64/185577764.db2.gz KGCMIGZSGRMHTL-LBPRGKRZSA-N 1 0 264.398 2.108 10 0 CEAERO CCCn1ncnc1C[C@H]([NH3+])COc1ccc(Cl)cc1 ZINC000097281812 185578508 /nfs/dbraw/zinc/57/85/08/185578508.db2.gz YNZQIUBHZCKKJF-LBPRGKRZSA-N 1 0 294.786 2.290 10 0 CEAERO CCc1cc([C@@H](Cc2nc(C)cs2)[NH2+]C)n(C)n1 ZINC000097342013 185586940 /nfs/dbraw/zinc/58/69/40/185586940.db2.gz QRRFHSCNJKORIX-LLVKDONJSA-N 1 0 264.398 2.251 10 0 CEAERO CCOc1cccc([C@H](C[C@@H]2CCS(=O)(=O)C2)[NH2+]C)c1 ZINC000097346320 185588345 /nfs/dbraw/zinc/58/83/45/185588345.db2.gz FMLFVWRRXCAPHR-WFASDCNBSA-N 1 0 297.420 2.171 10 0 CEAERO CCC[NH2+][C@@H](CCOCCC)Cc1ccn(C)n1 ZINC000097380276 185594895 /nfs/dbraw/zinc/59/48/95/185594895.db2.gz BNNIUGYLYCHZRZ-ZDUSSCGKSA-N 1 0 253.390 2.148 10 0 CEAERO CC[NH2+]C[C@@H](O)Cc1ccc(Br)cc1F ZINC000084992576 178940457 /nfs/dbraw/zinc/94/04/57/178940457.db2.gz ALCLDPBXRDUYCL-JTQLQIEISA-N 1 0 276.149 2.101 10 0 CEAERO CN(Cc1ccccc1F)C(=O)c1c[nH+]ccc1N ZINC000127495563 187310963 /nfs/dbraw/zinc/31/09/63/187310963.db2.gz ROHGQRGLAQHNJT-UHFFFAOYSA-N 1 0 259.284 2.075 10 0 CEAERO COC(=O)C[C@@](C)(c1ccc(OC)c(OC)c1)C(C)(C)[NH3+] ZINC000097433846 185602953 /nfs/dbraw/zinc/60/29/53/185602953.db2.gz HLDIKWYKCGRNSM-INIZCTEOSA-N 1 0 295.379 2.262 10 0 CEAERO COc1cccc(C[C@H]([NH3+])c2cc(C)nnc2C)c1F ZINC000097415504 185599607 /nfs/dbraw/zinc/59/96/07/185599607.db2.gz FAKPIYCSRQOHNY-ZDUSSCGKSA-N 1 0 275.327 2.484 10 0 CEAERO C[C@@H]1CC[C@@H](NC(=O)C[C@@H]2CCCC[NH2+]2)C[C@@H]1C ZINC000085060438 178945397 /nfs/dbraw/zinc/94/53/97/178945397.db2.gz QTBLLTOXAFSTCS-ZOBORPQBSA-N 1 0 252.402 2.460 10 0 CEAERO C[NH2+][C@@H](c1cnnn1-c1ccccc1)c1ccc(C)nc1 ZINC000097423618 185600595 /nfs/dbraw/zinc/60/05/95/185600595.db2.gz QCUVOMPUYUTLGW-MRXNPFEDSA-N 1 0 279.347 2.280 10 0 CEAERO COC(=O)C[C@@](C)(Cc1ccccc1OC)[C@@H](C)[NH3+] ZINC000097430831 185601189 /nfs/dbraw/zinc/60/11/89/185601189.db2.gz DRNHOISUMSPYQW-IAQYHMDHSA-N 1 0 265.353 2.154 10 0 CEAERO CC[C@H]([NH3+])[C@@H](CC(=O)OC)c1cc(F)c(F)c(F)c1 ZINC000097432518 185602154 /nfs/dbraw/zinc/60/21/54/185602154.db2.gz XTSKKYGPVCYICN-KWQFWETISA-N 1 0 275.270 2.488 10 0 CEAERO Cc1nnc(SCc2cc(F)ccc2C[NH3+])o1 ZINC000085148764 178958669 /nfs/dbraw/zinc/95/86/69/178958669.db2.gz ZOIYHPJFBMJLKB-UHFFFAOYSA-N 1 0 253.302 2.268 10 0 CEAERO COc1cccc(OC)c1[C@@H]([NH3+])Cc1c(C)nn(C)c1C ZINC000097456174 185609901 /nfs/dbraw/zinc/60/99/01/185609901.db2.gz UBAWNKXLSSDOAC-ZDUSSCGKSA-N 1 0 289.379 2.297 10 0 CEAERO [NH3+]CC1CCC(C(=O)Nc2cccc(Cl)n2)CC1 ZINC000097467136 185611980 /nfs/dbraw/zinc/61/19/80/185611980.db2.gz AMKYMHSMXMXMHA-UHFFFAOYSA-N 1 0 267.760 2.439 10 0 CEAERO Cc1[nH]c2ccccc2c1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000084608566 539515599 /nfs/dbraw/zinc/51/55/99/539515599.db2.gz UYHCLOWEZKSTLX-NSHDSACASA-N 1 0 257.337 2.040 10 0 CEAERO [NH3+][C@@H](Cc1ccn(C2CCCC2)n1)C[C@H]1CCCO1 ZINC000085182256 178965459 /nfs/dbraw/zinc/96/54/59/178965459.db2.gz UWNVAYLKHTYAPX-SWLSCSKDSA-N 1 0 263.385 2.437 10 0 CEAERO C[C@H]1C[C@](C[NH3+])(N2CCN(C)c3ccccc32)CS1 ZINC000094473746 136513334 /nfs/dbraw/zinc/51/33/34/136513334.db2.gz GDACTECFWCBSSN-SWLSCSKDSA-N 1 0 277.437 2.166 10 0 CEAERO CC[C@@](C)([C@H](NN)c1c(Cl)cnn1C(C)C)[NH+](C)C ZINC000097583377 185630875 /nfs/dbraw/zinc/63/08/75/185630875.db2.gz HJSGXUJVCAWYCF-OLZOCXBDSA-N 1 0 287.839 2.352 10 0 CEAERO CCC[NH2+][C@@](CO)(CN1CCC(CC)CC1)C1CC1 ZINC000085260734 178990189 /nfs/dbraw/zinc/99/01/89/178990189.db2.gz ZZWGQEQNUOGOPY-MRXNPFEDSA-N 1 0 268.445 2.249 10 0 CEAERO Cc1nn(CCCC[C@@](C)([NH3+])CO)c(C)c1Cl ZINC000085262582 178991797 /nfs/dbraw/zinc/99/17/97/178991797.db2.gz KHNXOPXLSRCRNF-GFCCVEGCSA-N 1 0 259.781 2.033 10 0 CEAERO CC[NH2+][C@@](CO)(COc1cc(C)cc(C)c1)C1CC1 ZINC000085284748 179002606 /nfs/dbraw/zinc/00/26/06/179002606.db2.gz JMHDTQZMLNJCAK-INIZCTEOSA-N 1 0 263.381 2.433 10 0 CEAERO C[NH2+][C@](C)(CO)C[C@@H](C)Oc1ccc(F)cc1F ZINC000085283037 179000752 /nfs/dbraw/zinc/00/07/52/179000752.db2.gz KBBNELZJMGHCFT-RNCFNFMXSA-N 1 0 259.296 2.093 10 0 CEAERO CC(C)[NH2+][C@H](CO)COc1ccccc1C(F)(F)F ZINC000085282986 179000956 /nfs/dbraw/zinc/00/09/56/179000956.db2.gz VAFJNQYHZFJJBJ-SNVBAGLBSA-N 1 0 277.286 2.443 10 0 CEAERO C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1Cc1ccc(Cl)s1 ZINC000085283936 179001493 /nfs/dbraw/zinc/00/14/93/179001493.db2.gz KVAACCIJPSSJJH-KKZNHRDASA-N 1 0 256.802 2.441 10 0 CEAERO Cc1cccc(OC[C@@](C)(CO)[NH2+]C(C)C)c1C ZINC000085283878 179001723 /nfs/dbraw/zinc/00/17/23/179001723.db2.gz IGZDFOTZYYZPNO-OAHLLOKOSA-N 1 0 251.370 2.431 10 0 CEAERO C[NH2+][C@@](C)(CO)COc1ccc(C(C)C)c(C)c1 ZINC000085284258 179002209 /nfs/dbraw/zinc/00/22/09/179002209.db2.gz DMUUGHDERVEIIX-HNNXBMFYSA-N 1 0 251.370 2.468 10 0 CEAERO CC[NH2+][C@](C)(CO)C[C@@H](C)n1cnc2ccccc21 ZINC000085263556 178993935 /nfs/dbraw/zinc/99/39/35/178993935.db2.gz QAENLEBPHZRNBJ-DOMZBBRYSA-N 1 0 261.369 2.348 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCOc1ccc(CC)cc1 ZINC000085284143 179002403 /nfs/dbraw/zinc/00/24/03/179002403.db2.gz ODNDJHQXMYJTJO-OAHLLOKOSA-N 1 0 251.370 2.378 10 0 CEAERO Cc1cnn(CCCC[C@](C)(CO)[NH2+]C(C)C)c1 ZINC000085263808 178994132 /nfs/dbraw/zinc/99/41/32/178994132.db2.gz XBEJAHCTZVSISY-CQSZACIVSA-N 1 0 253.390 2.111 10 0 CEAERO CC[NH2+][C@](CO)(Cn1cc(Cl)cn1)c1ccccc1 ZINC000085263865 178994349 /nfs/dbraw/zinc/99/43/49/178994349.db2.gz CKKZBIZCGHSUEH-AWEZNQCLSA-N 1 0 279.771 2.034 10 0 CEAERO CC(C)[NH2+][C@@H](CO)CCOc1cc(F)ccc1F ZINC000085265787 178996219 /nfs/dbraw/zinc/99/62/19/178996219.db2.gz YNSFTAVFNDRKBU-LLVKDONJSA-N 1 0 259.296 2.093 10 0 CEAERO CCCn1cc([C@@H](NN)C2([NH+](C)C)CCCCCC2)cn1 ZINC000097591256 185634409 /nfs/dbraw/zinc/63/44/09/185634409.db2.gz DMJACGVSCNOLBA-OAHLLOKOSA-N 1 0 293.459 2.452 10 0 CEAERO CC[NH+](CC)CC[C@H](NN)c1cc(C)ccc1OC ZINC000097591829 185634932 /nfs/dbraw/zinc/63/49/32/185634932.db2.gz KMRVYVFBWOFNQO-AWEZNQCLSA-N 1 0 265.401 2.240 10 0 CEAERO Cc1cc(C(C)(C)C)ccc1OC[C@](C)([NH3+])CO ZINC000085286573 179003852 /nfs/dbraw/zinc/00/38/52/179003852.db2.gz IYJJPJAKISYJNO-OAHLLOKOSA-N 1 0 251.370 2.381 10 0 CEAERO CC[NH2+][C@](C)(CO)C[C@@H](C)Oc1ccc(F)c(F)c1 ZINC000085286760 179004666 /nfs/dbraw/zinc/00/46/66/179004666.db2.gz WWNPRTKPXXZLTJ-YGRLFVJLSA-N 1 0 273.323 2.483 10 0 CEAERO Cc1cc(C)nc(SCCCC[C@@](C)([NH3+])CO)n1 ZINC000085287954 179004992 /nfs/dbraw/zinc/00/49/92/179004992.db2.gz BDMLJBGQTHHBOS-CYBMUJFWSA-N 1 0 269.414 2.066 10 0 CEAERO Cc1ccc2[nH]c(SC[C@@]([NH3+])(CO)C3CC3)nc2c1 ZINC000085288252 179005376 /nfs/dbraw/zinc/00/53/76/179005376.db2.gz KVTSKIVTKINZFX-AWEZNQCLSA-N 1 0 277.393 2.063 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)CCCSc1cnccn1 ZINC000085289570 179005738 /nfs/dbraw/zinc/00/57/38/179005738.db2.gz SUEFCZVVQDFZNF-CYBMUJFWSA-N 1 0 269.414 2.098 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)C[C@@H](C)Sc1ccncn1 ZINC000085289917 179005856 /nfs/dbraw/zinc/00/58/56/179005856.db2.gz SSPZHISYTMFPJW-YPMHNXCESA-N 1 0 269.414 2.096 10 0 CEAERO Cc1cc(S[C@@H](C)C[C@@](C)(CO)[NH2+]C(C)C)n(C)n1 ZINC000085289487 179006164 /nfs/dbraw/zinc/00/61/64/179006164.db2.gz KAMSDRYGJAYVIY-JSGCOSHPSA-N 1 0 285.457 2.348 10 0 CEAERO Clc1cncnc1N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000097848142 136522871 /nfs/dbraw/zinc/52/28/71/136522871.db2.gz RRTDTMQAQUAVAX-RYUDHWBXSA-N 1 0 266.776 2.241 10 0 CEAERO CCC[NH2+][C@](C)(CO)C[C@@H](C)SCCCOC ZINC000085290041 179006726 /nfs/dbraw/zinc/00/67/26/179006726.db2.gz KUIBQGIEHWRZJT-OLZOCXBDSA-N 1 0 263.447 2.285 10 0 CEAERO C[NH2+][C@](C)(CO)CCSc1cccc(OC)c1 ZINC000085291095 179006804 /nfs/dbraw/zinc/00/68/04/179006804.db2.gz HZQXNJFQVFFYKU-ZDUSSCGKSA-N 1 0 255.383 2.148 10 0 CEAERO C[C@@]([NH3+])(CO)CCSc1ccc(C(F)(F)F)cn1 ZINC000085291791 179007437 /nfs/dbraw/zinc/00/74/37/179007437.db2.gz OTOHCJGKMRWSJG-JTQLQIEISA-N 1 0 280.315 2.292 10 0 CEAERO C[C@H](C[C@@](C)([NH3+])CO)Sc1nc2ccccc2o1 ZINC000085292398 179007827 /nfs/dbraw/zinc/00/78/27/179007827.db2.gz YIQFTKYUZYJNED-NOZJJQNGSA-N 1 0 266.366 2.408 10 0 CEAERO CC(C)[NH2+][C@H](CO)CSc1cc(F)ccc1F ZINC000085293082 179008251 /nfs/dbraw/zinc/00/82/51/179008251.db2.gz YAZFCGAPPVNYBO-SNVBAGLBSA-N 1 0 261.337 2.416 10 0 CEAERO C[NH2+][C@@](CO)(CSc1cc(F)ccc1F)C1CC1 ZINC000085297001 179008300 /nfs/dbraw/zinc/00/83/00/179008300.db2.gz RRXSBJHOJNEDLI-ZDUSSCGKSA-N 1 0 273.348 2.417 10 0 CEAERO CCC[NH2+][C@@H](CO)CSc1ncnc2ccccc21 ZINC000085297250 179008434 /nfs/dbraw/zinc/00/84/34/179008434.db2.gz DBLLCOLMYWTMJQ-NSHDSACASA-N 1 0 277.393 2.082 10 0 CEAERO C[C@](O)(C[NH3+])CCCSc1nc2ccccc2o1 ZINC000085308625 179013152 /nfs/dbraw/zinc/01/31/52/179013152.db2.gz NDXWZNAUNNYKPN-CYBMUJFWSA-N 1 0 266.366 2.410 10 0 CEAERO C[C@@H]([NH3+])CSCC(=O)N[C@H](C)c1cccs1 ZINC000085313981 179013691 /nfs/dbraw/zinc/01/36/91/179013691.db2.gz VOGSFQXTTKJLDI-RKDXNWHRSA-N 1 0 258.412 2.006 10 0 CEAERO COc1ccc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])cc1Cl ZINC000085355452 179030356 /nfs/dbraw/zinc/03/03/56/179030356.db2.gz UDMMGXOHNNCURB-MWLCHTKSSA-N 1 0 268.744 2.415 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cn1 ZINC000085357760 179030809 /nfs/dbraw/zinc/03/08/09/179030809.db2.gz JUNLVGSXVMEYAJ-VHSXEESVSA-N 1 0 253.733 2.191 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1cc(F)cc(F)c1 ZINC000085356994 179030943 /nfs/dbraw/zinc/03/09/43/179030943.db2.gz UOYWLRXEPCSSJC-RYUDHWBXSA-N 1 0 254.280 2.421 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1[NH3+])c1cccs1 ZINC000085358546 179031143 /nfs/dbraw/zinc/03/11/43/179031143.db2.gz VQBLCJJZZILWHY-AXFHLTTASA-N 1 0 252.383 2.443 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1c1cccnc1 ZINC000085358797 179031207 /nfs/dbraw/zinc/03/12/07/179031207.db2.gz DGUFVKCELBBQJJ-SOUVJXGZSA-N 1 0 273.380 2.263 10 0 CEAERO Cc1ccccc1CN(C)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085358698 179031434 /nfs/dbraw/zinc/03/14/34/179031434.db2.gz LRNQWYLNJIAOKQ-HUUCEWRRSA-N 1 0 260.381 2.471 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000085365342 179035842 /nfs/dbraw/zinc/03/58/42/179035842.db2.gz PPLOGLRKVXLTKY-AXFHLTTASA-N 1 0 278.318 2.305 10 0 CEAERO CN(CCOc1cccc(F)c1)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085368771 179038799 /nfs/dbraw/zinc/03/87/99/179038799.db2.gz WBFAZESVZVYYKD-GJZGRUSLSA-N 1 0 294.370 2.180 10 0 CEAERO CCOc1ccc(NC(=O)[C@H]2CCCC[C@H]2[NH3+])cc1CO ZINC000085369567 179039298 /nfs/dbraw/zinc/03/92/98/179039298.db2.gz FMKWEBKADDJBGL-UONOGXRCSA-N 1 0 292.379 2.034 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)NCc1cc2c(s1)CCC2 ZINC000085370589 179040817 /nfs/dbraw/zinc/04/08/17/179040817.db2.gz BJEPRMSLIJSKOS-STQMWFEESA-N 1 0 278.421 2.371 10 0 CEAERO COc1ccc([C@@H](C)NC(=O)[C@H]2CCC[C@@H]2[NH3+])cc1OC ZINC000085370531 179040921 /nfs/dbraw/zinc/04/09/21/179040921.db2.gz UKCJAZLHEPSNJW-WXHSDQCUSA-N 1 0 292.379 2.008 10 0 CEAERO COc1ccc([C@@H](NC(=O)[C@H]2CCC[C@@H]2[NH3+])C2CC2)cc1 ZINC000085371940 179041638 /nfs/dbraw/zinc/04/16/38/179041638.db2.gz PHCOVKZSKXVABQ-JYJNAYRXSA-N 1 0 288.391 2.390 10 0 CEAERO CCc1nc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])sc1C ZINC000085372495 179042360 /nfs/dbraw/zinc/04/23/60/179042360.db2.gz GIWQCYNLIPQQAU-IUCAKERBSA-N 1 0 253.371 2.080 10 0 CEAERO Cc1nc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])sc1C ZINC000085372470 179042404 /nfs/dbraw/zinc/04/24/04/179042404.db2.gz LMHAQWQOJSZYTA-UWVGGRQHSA-N 1 0 253.371 2.216 10 0 CEAERO CCN(C(=O)[C@@H]1CCC[C@H]1[NH3+])c1ccccc1F ZINC000085373620 179042708 /nfs/dbraw/zinc/04/27/08/179042708.db2.gz GHWMORMSCUWPOJ-ZYHUDNBSSA-N 1 0 250.317 2.306 10 0 CEAERO C[C@@H](CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000085374647 179043308 /nfs/dbraw/zinc/04/33/08/179043308.db2.gz NQEAGNXPKGTTRP-CFVMTHIKSA-N 1 0 260.381 2.424 10 0 CEAERO CC1CCC(CCNC(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085375962 179043996 /nfs/dbraw/zinc/04/39/96/179043996.db2.gz IRVMWOPDOHPSOO-PQAZSJQKSA-N 1 0 252.402 2.446 10 0 CEAERO Cc1ccccc1C[C@@H](C)NC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085365848 179036416 /nfs/dbraw/zinc/03/64/16/179036416.db2.gz CAQVMGDOQWLSLZ-SNPRPXQTSA-N 1 0 260.381 2.170 10 0 CEAERO CC(C)Oc1ccccc1[C@@H](C)NC(=O)[C@H]1CC[NH2+]C1 ZINC000062114175 362707560 /nfs/dbraw/zinc/70/75/60/362707560.db2.gz NOZRZRSBQOLIMB-OLZOCXBDSA-N 1 0 276.380 2.261 10 0 CEAERO CC(C)CO[C@H]1C[C@@H]([NH2+]CCc2nccn2C)C1(C)C ZINC000085400991 179051591 /nfs/dbraw/zinc/05/15/91/179051591.db2.gz AVGYRCCJSOSLJI-KGLIPLIRSA-N 1 0 279.428 2.392 10 0 CEAERO COCC[NH2+]CC[C@@](C)(O)Cc1cc(F)ccc1C ZINC000097857096 185673482 /nfs/dbraw/zinc/67/34/82/185673482.db2.gz HBNKSWAHSYJGMP-OAHLLOKOSA-N 1 0 269.360 2.054 10 0 CEAERO C[C@@H]([NH2+][C@@H](C)CS(C)(=O)=O)c1cnc2ccsc2c1 ZINC000085434200 179060882 /nfs/dbraw/zinc/06/08/82/179060882.db2.gz JWCYILWYKIBXHO-VHSXEESVSA-N 1 0 298.433 2.380 10 0 CEAERO CC[C@H]1CN(Cc2cccc3cccnc32)CC[NH2+]1 ZINC000085434620 179061042 /nfs/dbraw/zinc/06/10/42/179061042.db2.gz KLZZOINPCSBQMZ-HNNXBMFYSA-N 1 0 255.365 2.419 10 0 CEAERO CC[C@@H]1CN(Cc2ccc(OC)c(F)c2)CC[NH2+]1 ZINC000085434605 179061484 /nfs/dbraw/zinc/06/14/84/179061484.db2.gz SXSUKOLPHIQZNH-GFCCVEGCSA-N 1 0 252.333 2.018 10 0 CEAERO Fc1cccc(CN2CC[NH2+][C@H](C3CC3)C2)c1F ZINC000085434899 179061496 /nfs/dbraw/zinc/06/14/96/179061496.db2.gz GFUKWEQSUZYDNR-ZDUSSCGKSA-N 1 0 252.308 2.149 10 0 CEAERO CC(C)n1ccc(CN2CC[NH2+][C@@](C)(C3CC3)C2)n1 ZINC000085449520 179064494 /nfs/dbraw/zinc/06/44/94/179064494.db2.gz KIGBWYZDCQTXEN-OAHLLOKOSA-N 1 0 262.401 2.038 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@@H](C(C)C)CN1C[C@@H]1CCCO1 ZINC000085467890 179073198 /nfs/dbraw/zinc/07/31/98/179073198.db2.gz NHMPYYLJXSXNRW-ZNMIVQPWSA-N 1 0 254.418 2.264 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C(C)C)CN1CCOCC(F)(F)F ZINC000085450496 179065477 /nfs/dbraw/zinc/06/54/77/179065477.db2.gz BYFGAIBUQYINAF-NWDGAFQWSA-N 1 0 282.350 2.274 10 0 CEAERO CC[C@@]1(C)C[NH2+]CCN1Cc1ccn(C(C)C)n1 ZINC000085452008 179065811 /nfs/dbraw/zinc/06/58/11/179065811.db2.gz GRMPSPICZVKGEU-AWEZNQCLSA-N 1 0 250.390 2.038 10 0 CEAERO COc1ccc(CN2CC[NH2+]CC23CCCC3)cc1 ZINC000085452321 179065834 /nfs/dbraw/zinc/06/58/34/179065834.db2.gz ZNQGBWFEOSUEEL-UHFFFAOYSA-N 1 0 260.381 2.413 10 0 CEAERO C[C@]1(C2CC2)C[NH2+]CCN1CCc1cccs1 ZINC000085452510 179066286 /nfs/dbraw/zinc/06/62/86/179066286.db2.gz PORJHHXRJVOPSH-CQSZACIVSA-N 1 0 250.411 2.365 10 0 CEAERO CC[C@H]1CN[C@H](C)C[N@@H+]1CCCOCC(F)(F)F ZINC000085453309 179067154 /nfs/dbraw/zinc/06/71/54/179067154.db2.gz YGFBAKMPOUUZAW-MNOVXSKESA-N 1 0 268.323 2.028 10 0 CEAERO CC[C@]1(C)CN[C@@H](C)C[N@@H+]1CCCOCC(F)(F)F ZINC000085454206 179067194 /nfs/dbraw/zinc/06/71/94/179067194.db2.gz MJOJKQXQBPZWNF-NWDGAFQWSA-N 1 0 282.350 2.418 10 0 CEAERO CCC[C@@H]1C[NH2+][C@H](C)CN1Cc1cccc(OC)n1 ZINC000085453484 179067411 /nfs/dbraw/zinc/06/74/11/179067411.db2.gz KTIWNYJSWBLXOJ-TZMCWYRMSA-N 1 0 263.385 2.053 10 0 CEAERO CCC[C@H]1CN(C[C@@H]2CCCO2)[C@H](C2CC2)C[NH2+]1 ZINC000085455321 179068018 /nfs/dbraw/zinc/06/80/18/179068018.db2.gz IFXOPSCZOYXZBI-KKUMJFAQSA-N 1 0 252.402 2.018 10 0 CEAERO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)C2(CCCCC2)CN1 ZINC000085454482 179068105 /nfs/dbraw/zinc/06/81/05/179068105.db2.gz JAOHWFMIWOBUBQ-KGLIPLIRSA-N 1 0 252.402 2.162 10 0 CEAERO CCC[C@@H]1C[NH2+][C@H](CC)CN1C[C@@H]1CCCCO1 ZINC000085472704 179076971 /nfs/dbraw/zinc/07/69/71/179076971.db2.gz JOSAPIMPZSEQEO-KFWWJZLASA-N 1 0 254.418 2.408 10 0 CEAERO CC[C@@H]1CN(Cc2cccc(OC)n2)C(C)(C)C[NH2+]1 ZINC000085474229 179078135 /nfs/dbraw/zinc/07/81/35/179078135.db2.gz RIXQMLISFDNHRF-GFCCVEGCSA-N 1 0 263.385 2.053 10 0 CEAERO CC(C)[C@@H]1CN[C@@H](C(C)(C)C)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085475962 179078879 /nfs/dbraw/zinc/07/88/79/179078879.db2.gz VFDMRFSNWXDCFH-SOUVJXGZSA-N 1 0 268.445 2.367 10 0 CEAERO CC[C@@H]1CN(Cc2cnn(CC)c2)[C@@](C)(CC)C[NH2+]1 ZINC000085474529 179078977 /nfs/dbraw/zinc/07/89/77/179078977.db2.gz UBSPFWVAPLIMBS-CABCVRRESA-N 1 0 264.417 2.256 10 0 CEAERO CC(C)(C)[C@H]1CN(Cc2ncccn2)C(C)(C)C[NH2+]1 ZINC000085486239 179080141 /nfs/dbraw/zinc/08/01/41/179080141.db2.gz NSOJGHYREGHTFN-GFCCVEGCSA-N 1 0 262.401 2.075 10 0 CEAERO CC[C@]1(C)CN(CCOC(C)C)[C@H](C2CC2)C[NH2+]1 ZINC000085495831 179081811 /nfs/dbraw/zinc/08/18/11/179081811.db2.gz HWGGASVBZDBGKF-LSDHHAIUSA-N 1 0 254.418 2.264 10 0 CEAERO CC(C)(C)[C@H]1CNC(C)(C)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085470821 179076022 /nfs/dbraw/zinc/07/60/22/179076022.db2.gz HOACDJQYPORILB-QWHCGFSZSA-N 1 0 254.418 2.264 10 0 CEAERO CC1(C)C[N@H+]([C@H]2CCOC2)C2(CCCCC2)CN1 ZINC000085471509 179076319 /nfs/dbraw/zinc/07/63/19/179076319.db2.gz IWKUFVBNVUJJBS-ZDUSSCGKSA-N 1 0 252.402 2.162 10 0 CEAERO CC[C@H]1CN[C@](C)(C2CC2)C[N@@H+]1CCCn1ccnc1 ZINC000085509919 179085424 /nfs/dbraw/zinc/08/54/24/179085424.db2.gz KUMNONLTOBLILQ-HOTGVXAUSA-N 1 0 276.428 2.126 10 0 CEAERO COc1cccc(CN2C[C@@](C)(C3CC3)[NH2+]C[C@@H]2C)n1 ZINC000085509228 179085600 /nfs/dbraw/zinc/08/56/00/179085600.db2.gz QUEDNGNWQIKBDH-LRDDRELGSA-N 1 0 275.396 2.053 10 0 CEAERO CC[NH+](CC)[C@H]1CCN(C[C@](C)(O)c2ccccc2)C1 ZINC000062967351 362738048 /nfs/dbraw/zinc/73/80/48/362738048.db2.gz MQZAPQYKADQTPE-IRXDYDNUSA-N 1 0 276.424 2.310 10 0 CEAERO CC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1CCn1ccnc1C ZINC000085510335 179086010 /nfs/dbraw/zinc/08/60/10/179086010.db2.gz LSTCYUHNPPGNTL-CVEARBPZSA-N 1 0 276.428 2.044 10 0 CEAERO C[C@@]1(C2CC2)C[N@H+](C[C@@H]2CCCCO2)[C@H](C2CC2)CN1 ZINC000085513681 179086380 /nfs/dbraw/zinc/08/63/80/179086380.db2.gz IOYZWBQERQDGRB-ULQDDVLXSA-N 1 0 278.440 2.408 10 0 CEAERO CC[C@H](C)[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1ncccn1 ZINC000085512747 179086432 /nfs/dbraw/zinc/08/64/32/179086432.db2.gz LVSHAASNKJPSKD-JLJPHGGASA-N 1 0 288.439 2.465 10 0 CEAERO CCC[C@@H]1C[NH2+][C@H](C2CC2)CN1CCn1ccnc1C ZINC000085523433 179088471 /nfs/dbraw/zinc/08/84/71/179088471.db2.gz XWTZZHQBEYXSOP-CVEARBPZSA-N 1 0 276.428 2.044 10 0 CEAERO CC[C@@H]1CN[C@](C)(CC)C[N@@H+]1CC1CCOCC1 ZINC000085494746 179082434 /nfs/dbraw/zinc/08/24/34/179082434.db2.gz NEPXDOKGTGHRQF-HUUCEWRRSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(C[C@@H]2CCCO2)C(C)(C)C[NH2+]1 ZINC000085492908 179082541 /nfs/dbraw/zinc/08/25/41/179082541.db2.gz SNZXDGXHDHYFLU-RDBSUJKOSA-N 1 0 254.418 2.264 10 0 CEAERO CC[C@H]1C[NH2+]C2(CCCCC2)CN1[C@@H]1CCOC1 ZINC000085498953 179082839 /nfs/dbraw/zinc/08/28/39/179082839.db2.gz YIMLZLVFYXNDFK-UONOGXRCSA-N 1 0 252.402 2.162 10 0 CEAERO CC[C@@]1(C)C[NH2+]C2(CCCC2)CN1[C@@H]1CCOC1 ZINC000085498624 179082863 /nfs/dbraw/zinc/08/28/63/179082863.db2.gz ZVQIVRFATZFLRG-KGLIPLIRSA-N 1 0 252.402 2.162 10 0 CEAERO CC[C@]1(C)C[N@H+](CCCOC)[C@@](C)(C2CC2)CN1 ZINC000085497285 179083091 /nfs/dbraw/zinc/08/30/91/179083091.db2.gz WZWHOCRSCGJJMF-HUUCEWRRSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@@H]1CNC2(CCCCC2)C[N@@H+]1CCCOC ZINC000085498916 179083395 /nfs/dbraw/zinc/08/33/95/179083395.db2.gz ZQJUYADBDOUSPX-CQSZACIVSA-N 1 0 254.418 2.410 10 0 CEAERO CC[C@]1(C)C[N@H+](C[C@@H]2CCCO2)[C@@](C)(CC)CN1 ZINC000085496744 179083609 /nfs/dbraw/zinc/08/36/09/179083609.db2.gz ZYSVGXFNMLLZMO-ZNMIVQPWSA-N 1 0 254.418 2.408 10 0 CEAERO CC[C@@]1(C)CN(Cc2cnn(C)c2)[C@@](C)(CC)C[NH2+]1 ZINC000085496910 179083626 /nfs/dbraw/zinc/08/36/26/179083626.db2.gz RFWUEMGEPXWTJC-GJZGRUSLSA-N 1 0 264.417 2.163 10 0 CEAERO CC[C@@]1(C)CN(CCn2ccnc2C)C(C)(C)C[NH2+]1 ZINC000085496405 179083668 /nfs/dbraw/zinc/08/36/68/179083668.db2.gz NNFABEHAWBLIGG-HNNXBMFYSA-N 1 0 264.417 2.044 10 0 CEAERO CC[C@]1(C)C[N@H+](C[C@@H]2CCCO2)[C@@](C)(C2CC2)CN1 ZINC000085497337 179083857 /nfs/dbraw/zinc/08/38/57/179083857.db2.gz WQDUVUNUJPOEGQ-ARFHVFGLSA-N 1 0 266.429 2.408 10 0 CEAERO CC[C@]1(C)C[NH2+]C2(CCCCC2)CN1CCOC ZINC000085503748 179084511 /nfs/dbraw/zinc/08/45/11/179084511.db2.gz GHVWCCGOEMLIQX-CQSZACIVSA-N 1 0 254.418 2.410 10 0 CEAERO CC(C)c1nc2c(n1CC1CCOCC1)CC[NH2+]C2 ZINC000085571441 179097623 /nfs/dbraw/zinc/09/76/23/179097623.db2.gz JJXGQZBTQZUJSI-UHFFFAOYSA-N 1 0 263.385 2.079 10 0 CEAERO CCC1(CC)CN[C@H](C2CC2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085528846 179090187 /nfs/dbraw/zinc/09/01/87/179090187.db2.gz QPEFHLSQZMAKKA-GJZGRUSLSA-N 1 0 266.429 2.408 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@H](C2CC2)CN1CCn1ccnc1C ZINC000085528383 179090803 /nfs/dbraw/zinc/09/08/03/179090803.db2.gz LLNIPHUWXVEOOW-HOTGVXAUSA-N 1 0 276.428 2.044 10 0 CEAERO COCCN1C[C@@H](C2CCCCC2)[NH2+]C[C@@H]1C1CC1 ZINC000085530813 179091687 /nfs/dbraw/zinc/09/16/87/179091687.db2.gz ISWHZODBWRVGRF-JKSUJKDBSA-N 1 0 266.429 2.266 10 0 CEAERO C[C@]1(C2CC2)CN[C@H](C2CC2)C[N@@H+]1CC1CCOCC1 ZINC000085529478 179091856 /nfs/dbraw/zinc/09/18/56/179091856.db2.gz DOSIRRUOISBHTG-DLBZAZTESA-N 1 0 278.440 2.266 10 0 CEAERO C[NH2+][C@H]1CCC2(C[C@@H]1Oc1cc(C)ccc1F)OCCO2 ZINC000085554594 179093422 /nfs/dbraw/zinc/09/34/22/179093422.db2.gz RPYSNBXTOVGOAM-ZFWWWQNUSA-N 1 0 295.354 2.397 10 0 CEAERO C[C@H](Cc1ccc(F)cc1)n1cnc2c1CC[NH2+]C2 ZINC000085567396 179095101 /nfs/dbraw/zinc/09/51/01/179095101.db2.gz DCMMQXXARRLORG-LLVKDONJSA-N 1 0 259.328 2.472 10 0 CEAERO CO[C@H]1CCC[C@@H]1n1c2c(nc1C(F)(F)F)C[NH2+]CC2 ZINC000085570858 179096302 /nfs/dbraw/zinc/09/63/02/179096302.db2.gz HFLOFAQRBIJWLF-QWRGUYRKSA-N 1 0 289.301 2.288 10 0 CEAERO CC(C)(C)c1nc2c(n1[C@@H]1CCCC[C@H]1O)CC[NH2+]C2 ZINC000085571269 179097015 /nfs/dbraw/zinc/09/70/15/179097015.db2.gz DWGNAHDOFSAZGM-ZIAGYGMSSA-N 1 0 277.412 2.302 10 0 CEAERO Cc1nc2c(n1CCCOc1ccccc1)CC[NH2+]C2 ZINC000085571245 179097206 /nfs/dbraw/zinc/09/72/06/179097206.db2.gz AXQVLIUJXUMYHA-UHFFFAOYSA-N 1 0 271.364 2.306 10 0 CEAERO C[C@H]1CC[NH2+][C@H](C(C)(C)C)CN1Cc1ncccn1 ZINC000085624245 179106516 /nfs/dbraw/zinc/10/65/16/179106516.db2.gz XSGJQDUVSOYTFV-STQMWFEESA-N 1 0 262.401 2.075 10 0 CEAERO C[C@@H]1CC[NH2+][C@](C)(C2CC2)CN1Cc1ccccn1 ZINC000085623688 179106670 /nfs/dbraw/zinc/10/66/70/179106670.db2.gz MAHZFLRFMAHVOC-CJNGLKHVSA-N 1 0 259.397 2.434 10 0 CEAERO CC[C@H](COC)n1c(CC(C)C)nc2c1CC[NH2+]C2 ZINC000085574791 179099239 /nfs/dbraw/zinc/09/92/39/179099239.db2.gz LLUBBFVZZSEVSM-GFCCVEGCSA-N 1 0 265.401 2.325 10 0 CEAERO COc1cccc(CN2C[C@@H](C(C)C)[NH2+]CC[C@@H]2C)n1 ZINC000085618173 179103668 /nfs/dbraw/zinc/10/36/68/179103668.db2.gz HYVULMHURWZGMC-ZFWWWQNUSA-N 1 0 277.412 2.299 10 0 CEAERO COc1cccc(CN2CCC[NH2+][C@@H](C3CC3)C2)c1 ZINC000085616591 179103737 /nfs/dbraw/zinc/10/37/37/179103737.db2.gz ZLPFPASUBJSYKU-MRXNPFEDSA-N 1 0 260.381 2.269 10 0 CEAERO c1cnc(CN2CCC[NH2+][C@H](C3CCCCC3)C2)nc1 ZINC000085615097 179103867 /nfs/dbraw/zinc/10/38/67/179103867.db2.gz MQKRKNOHWNBLNY-HNNXBMFYSA-N 1 0 274.412 2.221 10 0 CEAERO CC[C@@]1(C)CN(CCOCC(F)(F)F)CCC[NH2+]1 ZINC000085616830 179104400 /nfs/dbraw/zinc/10/44/00/179104400.db2.gz KURLSTJBGHMQCU-NSHDSACASA-N 1 0 268.323 2.029 10 0 CEAERO C[C@H]1CC[NH2+][C@H](c2ccccc2)CN1Cc1cnn(C)c1 ZINC000085621605 179105301 /nfs/dbraw/zinc/10/53/01/179105301.db2.gz VPAXWWWYBPROPD-YOEHRIQHSA-N 1 0 284.407 2.345 10 0 CEAERO COCC[NH2+]CCc1ccc(OC)c(OC(F)F)c1 ZINC000085697092 179116001 /nfs/dbraw/zinc/11/60/01/179116001.db2.gz XTUAXDCZBUSELW-UHFFFAOYSA-N 1 0 275.295 2.075 10 0 CEAERO C[C@H](CN1CCCCC1)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085634988 179109122 /nfs/dbraw/zinc/10/91/22/179109122.db2.gz XYPFJWAYTZCRGO-BARDWOONSA-N 1 0 266.429 2.264 10 0 CEAERO CN(CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)C1CCCC1 ZINC000085638439 179109945 /nfs/dbraw/zinc/10/99/45/179109945.db2.gz KCLLUAVSWAULCP-KFWWJZLASA-N 1 0 266.429 2.264 10 0 CEAERO CC[NH2+]C[C@H](O)c1ccc(Br)c(C)c1 ZINC000085708688 179123037 /nfs/dbraw/zinc/12/30/37/179123037.db2.gz WKPZUUQTIYAVEH-NSHDSACASA-N 1 0 258.159 2.400 10 0 CEAERO OC[C@@H]([NH2+][C@H]1CCSC1)c1ccc(Cl)cc1 ZINC000129254213 365839693 /nfs/dbraw/zinc/83/96/93/365839693.db2.gz SOBDTEYBDIPCIA-NWDGAFQWSA-N 1 0 257.786 2.469 10 0 CEAERO Clc1cc(Cl)c2ncnc(N3CC[NH2+]CC3)c2c1 ZINC000044960032 282500010 /nfs/dbraw/zinc/50/00/10/282500010.db2.gz ZWRVTHVAILXIHM-UHFFFAOYSA-N 1 0 283.162 2.346 10 0 CEAERO C[NH+](C)C[C@H](O)Cc1cc(F)ccc1Br ZINC000085794152 179171983 /nfs/dbraw/zinc/17/19/83/179171983.db2.gz SEERQCODAAHLSU-SNVBAGLBSA-N 1 0 276.149 2.053 10 0 CEAERO [NH3+][C@]1(C(=O)Nc2ccccc2SC(F)F)CCOC1 ZINC000085867531 179192062 /nfs/dbraw/zinc/19/20/62/179192062.db2.gz AFPMWFXXSMLSNX-GFCCVEGCSA-N 1 0 288.319 2.058 10 0 CEAERO [NH3+][C@]1(C(=O)N[C@@H](c2cccs2)C2CCCC2)CCOC1 ZINC000085869989 179192521 /nfs/dbraw/zinc/19/25/21/179192521.db2.gz OVYLYQVEUZHATD-UKRRQHHQSA-N 1 0 294.420 2.213 10 0 CEAERO COc1ccc([C@H](O)C(C)(C)C[NH3+])cc1Br ZINC000085902446 179196009 /nfs/dbraw/zinc/19/60/09/179196009.db2.gz NMBMBILCRKUQAG-NSHDSACASA-N 1 0 288.185 2.476 10 0 CEAERO COc1ccc(Br)cc1[C@@H](O)C(C)(C)C[NH3+] ZINC000085902372 179196119 /nfs/dbraw/zinc/19/61/19/179196119.db2.gz YJMAIHBYPBJXPE-LLVKDONJSA-N 1 0 288.185 2.476 10 0 CEAERO COc1ccc(C)cc1C(=O)NC[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085965826 179205649 /nfs/dbraw/zinc/20/56/49/179205649.db2.gz ORAKWWZTJDFQIC-JSGCOSHPSA-N 1 0 276.380 2.251 10 0 CEAERO CS(=O)(=O)c1ccccc1NC[C@@H]1CCCC[C@H]1[NH3+] ZINC000085973993 179208036 /nfs/dbraw/zinc/20/80/36/179208036.db2.gz SFHMXAGOLOSYER-NWDGAFQWSA-N 1 0 282.409 2.020 10 0 CEAERO C[C@@H]([NH3+])[C@@H](CO)Oc1ccccc1-c1ccccc1 ZINC000085919294 179199508 /nfs/dbraw/zinc/19/95/08/179199508.db2.gz UORAZIPYYXZDBF-MLGOLLRUSA-N 1 0 257.333 2.441 10 0 CEAERO [NH3+][C@H](CCO)COc1ccc(-c2ccccc2)cc1 ZINC000085921410 179200706 /nfs/dbraw/zinc/20/07/06/179200706.db2.gz GSBLISGWTLYDRF-OAHLLOKOSA-N 1 0 257.333 2.442 10 0 CEAERO CCC[NH2+][C@@H](CCO)Cn1cnc2cc(C)c(C)cc21 ZINC000085923296 179201002 /nfs/dbraw/zinc/20/10/02/179201002.db2.gz WSTAXVQBICAIAB-AWEZNQCLSA-N 1 0 275.396 2.404 10 0 CEAERO CC[NH2+][C@H](CCO)CN1CCC(C(C)(C)C)CC1 ZINC000085922601 179201181 /nfs/dbraw/zinc/20/11/81/179201181.db2.gz UVFQNRRUPNOZBY-CQSZACIVSA-N 1 0 256.434 2.105 10 0 CEAERO CCC[NH2+][C@H](CCO)CN1CCC[C@@H]1C1CCCC1 ZINC000085922554 179201321 /nfs/dbraw/zinc/20/13/21/179201321.db2.gz ALUQCYSVORKYFQ-HZPDHXFCSA-N 1 0 268.445 2.392 10 0 CEAERO CC[NH2+][C@@H](CCO)CN1CCC[C@H](C(C)C)CC1 ZINC000085923203 179201385 /nfs/dbraw/zinc/20/13/85/179201385.db2.gz LPHPUKDFJSCOOP-GJZGRUSLSA-N 1 0 256.434 2.105 10 0 CEAERO CCC[NH2+][C@@H](CCO)COc1cccc(OCC)c1 ZINC000085926975 179202177 /nfs/dbraw/zinc/20/21/77/179202177.db2.gz WLTDYOKTVOBTJD-ZDUSSCGKSA-N 1 0 267.369 2.215 10 0 CEAERO C[NH2+][C@H](CCO)CSc1ccc(C(F)(F)F)cn1 ZINC000085928631 179202793 /nfs/dbraw/zinc/20/27/93/179202793.db2.gz PXGGWVCQJOOZKN-SECBINFHSA-N 1 0 280.315 2.163 10 0 CEAERO C[NH2+][C@H](CCO)CSc1nc2ccccc2s1 ZINC000085928156 179203008 /nfs/dbraw/zinc/20/30/08/179203008.db2.gz NCLIMCIFNQYKKN-SECBINFHSA-N 1 0 268.407 2.359 10 0 CEAERO Cc1ccccc1NC(=O)C[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000085985802 179211405 /nfs/dbraw/zinc/21/14/05/179211405.db2.gz OGLNYZGOYOEVNT-HIFRSBDPSA-N 1 0 276.380 2.074 10 0 CEAERO CC[NH2+][C@@H]1CC[C@@H](Sc2nnc(N(C)C)s2)[C@@H]1C ZINC000086043704 179222962 /nfs/dbraw/zinc/22/29/62/179222962.db2.gz XGGBAHXZZTUIRP-OPRDCNLKSA-N 1 0 286.470 2.473 10 0 CEAERO CC[NH2+][C@H]1CC[C@H](Sc2n[nH]c(=O)n2C(C)C)[C@@H]1C ZINC000086045586 179222994 /nfs/dbraw/zinc/22/29/94/179222994.db2.gz QQPHZEYJVNMXNJ-VWYCJHECSA-N 1 0 284.429 2.021 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000086066362 179223666 /nfs/dbraw/zinc/22/36/66/179223666.db2.gz HYTSPPUEFMBAKU-JGVFFNPUSA-N 1 0 260.790 2.434 10 0 CEAERO C[C@@H]1[C@@H](C)CC[C@@H]1NC(=O)c1ccc(CC[NH3+])cc1 ZINC000086075539 179225140 /nfs/dbraw/zinc/22/51/40/179225140.db2.gz DCBNRPQUWCYBGF-ZOWXZIJZSA-N 1 0 260.381 2.352 10 0 CEAERO C[C@@H]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH2+]C2)[C@@H]1C ZINC000086075431 179225362 /nfs/dbraw/zinc/22/53/62/179225362.db2.gz PVPWYCZNQWJNGJ-MQYQWHSLSA-N 1 0 252.402 2.317 10 0 CEAERO C[C@@H]1[C@@H](C)CC[C@@H]1NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000086076341 179225740 /nfs/dbraw/zinc/22/57/40/179225740.db2.gz BPGHXTITUGMJOX-SHUKQUCYSA-N 1 0 272.392 2.252 10 0 CEAERO C[C@@H]1CC[C@H](NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)[C@@H]1C ZINC000086075768 179225974 /nfs/dbraw/zinc/22/59/74/179225974.db2.gz CSPZNRLDXDHQAF-SVDPJWKOSA-N 1 0 278.318 2.079 10 0 CEAERO CCCCc1ccc([C@H]([NH3+])[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000086020039 179218228 /nfs/dbraw/zinc/21/82/28/179218228.db2.gz CNYMYSUPKSPQBD-CABCVRRESA-N 1 0 281.421 2.464 10 0 CEAERO CCC[NH2+][C@@H](c1cc(C)oc1C)[C@H]1CCS(=O)(=O)C1 ZINC000086022386 179218970 /nfs/dbraw/zinc/21/89/70/179218970.db2.gz HUSPGDURVDVXQR-GXTWGEPZSA-N 1 0 285.409 2.372 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000086026413 179219991 /nfs/dbraw/zinc/21/99/91/179219991.db2.gz BUAAQZSNUOWYLX-CVEARBPZSA-N 1 0 295.448 2.340 10 0 CEAERO C[C@H]1[C@@H]([NH3+])CC[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000086040329 179222172 /nfs/dbraw/zinc/22/21/72/179222172.db2.gz PXCMFCQIHBFCLC-UWJYBYFXSA-N 1 0 273.785 2.240 10 0 CEAERO Cc1ccc(S(=O)(=O)[C@H]2CC[C@H]([NH3+])[C@@H]2C)cc1C ZINC000086040522 179222379 /nfs/dbraw/zinc/22/23/79/179222379.db2.gz DUNFCNJZAVDWHU-UBHSHLNASA-N 1 0 267.394 2.203 10 0 CEAERO C[N@@H+](CC(N)=S)C[C@H]1CSc2ccccc21 ZINC000086104245 179230882 /nfs/dbraw/zinc/23/08/82/179230882.db2.gz FMVAGAACYRFPEK-VIFPVBQESA-N 1 0 252.408 2.094 10 0 CEAERO c1csc(CN2CC[NH2+][C@H](Cc3ccccc3)C2)n1 ZINC000086144198 179237510 /nfs/dbraw/zinc/23/75/10/179237510.db2.gz JKMQFFBBDJPRKJ-CQSZACIVSA-N 1 0 273.405 2.160 10 0 CEAERO C[C@H](Cc1ccsc1)N1CC[NH2+][C@H](C2CC2)C1 ZINC000086143012 179237590 /nfs/dbraw/zinc/23/75/90/179237590.db2.gz HZFXHXUHYFBJSL-RISCZKNCSA-N 1 0 250.411 2.363 10 0 CEAERO Cc1csc(CN2CC[NH2+][C@](C)(C3CC3)C2)n1 ZINC000086144314 179238130 /nfs/dbraw/zinc/23/81/30/179238130.db2.gz SCMCJHGSWXBJAN-ZDUSSCGKSA-N 1 0 251.399 2.025 10 0 CEAERO CC[C@@H]1CC[C@H](NC(=O)C2CCC([NH3+])CC2)[C@@H]1C ZINC000086094443 179228806 /nfs/dbraw/zinc/22/88/06/179228806.db2.gz LEZXNKFHDQBDJG-AYZDXNEBSA-N 1 0 252.402 2.445 10 0 CEAERO CCC[C@H]1CN(CCOC2CCCCC2)CC[NH2+]1 ZINC000086149572 179240384 /nfs/dbraw/zinc/24/03/84/179240384.db2.gz WSSOALIGFSABRF-AWEZNQCLSA-N 1 0 254.418 2.410 10 0 CEAERO CSCC[N@@H+]1CCN[C@@](C)(c2ccccc2)C1 ZINC000086149789 179240776 /nfs/dbraw/zinc/24/07/76/179240776.db2.gz HSFQAKZFUYCGCY-CQSZACIVSA-N 1 0 250.411 2.170 10 0 CEAERO CC(C)C[C@H]1CN(CCc2cscn2)CC[NH2+]1 ZINC000086149479 179240792 /nfs/dbraw/zinc/24/07/92/179240792.db2.gz LZIJFVVIWGUMKN-ZDUSSCGKSA-N 1 0 253.415 2.006 10 0 CEAERO CC[C@H](COC)N1CC[NH2+][C@H](C2CCCCC2)C1 ZINC000086150352 179240954 /nfs/dbraw/zinc/24/09/54/179240954.db2.gz FTLYMOQJQJVZEE-CABCVRRESA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1Cc1cc(C)on1 ZINC000086173889 179244028 /nfs/dbraw/zinc/24/40/28/179244028.db2.gz APTFYSLNTKKCIN-ZIAGYGMSSA-N 1 0 251.374 2.191 10 0 CEAERO CC(=O)N[C@@H]1CCC[N@@H+]([C@H]2C=CCCCCC2)C1 ZINC000606432937 347471294 /nfs/dbraw/zinc/47/12/94/347471294.db2.gz ZDCJPRGLZKASEI-CABCVRRESA-N 1 0 250.386 2.476 10 0 CEAERO COC[C@@H](C)N1C[C@H](C2CC2)[NH2+]C[C@@H]1c1ccccc1 ZINC000086179956 179246311 /nfs/dbraw/zinc/24/63/11/179246311.db2.gz AIXOKXHNUIRUPG-KBRIMQKVSA-N 1 0 274.408 2.446 10 0 CEAERO CCC1(CC)CN(CCc2nccs2)CC[NH2+]1 ZINC000086148910 179239511 /nfs/dbraw/zinc/23/95/11/179239511.db2.gz PZNHQRLOBCMJDG-UHFFFAOYSA-N 1 0 253.415 2.150 10 0 CEAERO c1csc(CCN2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000086148915 179239734 /nfs/dbraw/zinc/23/97/34/179239734.db2.gz CPDNCWGYBLWIHJ-AWEZNQCLSA-N 1 0 273.405 2.332 10 0 CEAERO CC[C@@H](C)[C@H]1CN(CCc2nc(C)cs2)CC[NH2+]1 ZINC000086148846 179239876 /nfs/dbraw/zinc/23/98/76/179239876.db2.gz XJERFMZFLRNJPR-DGCLKSJQSA-N 1 0 267.442 2.314 10 0 CEAERO Cn1cc(N2CC(C)(C)[NH2+]C[C@H]2c2ccccc2)cn1 ZINC000086218274 179249748 /nfs/dbraw/zinc/24/97/48/179249748.db2.gz HTPLDVUOVVUGDA-HNNXBMFYSA-N 1 0 270.380 2.350 10 0 CEAERO CC(C)[C@@H]1C[NH2+]C(C)(C)CN1CCc1ccccn1 ZINC000086221450 179250470 /nfs/dbraw/zinc/25/04/70/179250470.db2.gz GQTAWXDNRGBBFI-HNNXBMFYSA-N 1 0 261.413 2.333 10 0 CEAERO CC(C)[C@H]1C[NH2+]C(C)(C)CN1CCc1cccnc1 ZINC000086223223 179251852 /nfs/dbraw/zinc/25/18/52/179251852.db2.gz VMMLVYSDNLBXJT-OAHLLOKOSA-N 1 0 261.413 2.333 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@@H](C2CC2)CN1CCc1cccnc1 ZINC000086223218 179252583 /nfs/dbraw/zinc/25/25/83/179252583.db2.gz LBXYTGRKAMITLZ-SJORKVTESA-N 1 0 273.424 2.333 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C2CC2)CN1Cc1csc(C)n1 ZINC000086226953 179252866 /nfs/dbraw/zinc/25/28/66/179252866.db2.gz SWMYQJYLJIMFDL-KBPBESRZSA-N 1 0 265.426 2.414 10 0 CEAERO Cc1ncc(CN2C[C@](C)(C3CC3)[NH2+]C[C@@H]2C)s1 ZINC000086226723 179253069 /nfs/dbraw/zinc/25/30/69/179253069.db2.gz BITLOTLKKQDEPU-IINYFYTJSA-N 1 0 265.426 2.414 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1Cc1nccs1 ZINC000086226892 179253488 /nfs/dbraw/zinc/25/34/88/179253488.db2.gz NIHDAYSSEBHISE-GHMZBOCLSA-N 1 0 253.415 2.352 10 0 CEAERO CC[C@@H]1C[NH2+]C2(CCCC2)CN1c1cnn(CCOC)c1 ZINC000086227248 179254290 /nfs/dbraw/zinc/25/42/90/179254290.db2.gz SMYRFDWTKWUBTG-CQSZACIVSA-N 1 0 292.427 2.031 10 0 CEAERO [NH3+][C@@H]1CCO[C@@H]1c1ccc(Br)cc1F ZINC000086249685 179255350 /nfs/dbraw/zinc/25/53/50/179255350.db2.gz FFQFHUHYJUCLRD-NXEZZACHSA-N 1 0 260.106 2.377 10 0 CEAERO COCc1nc(CNC[C@H]2CC[N@@H+](C(C)C)C2)cs1 ZINC000608054820 347558007 /nfs/dbraw/zinc/55/80/07/347558007.db2.gz DRUVKBUFVYQGIT-GFCCVEGCSA-N 1 0 283.441 2.109 10 0 CEAERO CC(C)[C@@H]1CNC(C)(C)C[N@@H+]1C[C@@H]1CCCOC1 ZINC000086260107 179259282 /nfs/dbraw/zinc/25/92/82/179259282.db2.gz RKNWGEQBMUAYLL-KBPBESRZSA-N 1 0 254.418 2.121 10 0 CEAERO Cc1noc(CN2CC3(CCCC3)[NH2+]C[C@@H]2C(C)C)n1 ZINC000086260347 179259398 /nfs/dbraw/zinc/25/93/98/179259398.db2.gz YGGJLGBLQKFHTC-CYBMUJFWSA-N 1 0 278.400 2.121 10 0 CEAERO CCC[C@@H]1C[N@H+](C[C@@H](C)COC)[C@H](C(C)C)CN1 ZINC000086261021 179260379 /nfs/dbraw/zinc/26/03/79/179260379.db2.gz CXWBOKAPSTZWFF-KFWWJZLASA-N 1 0 256.434 2.367 10 0 CEAERO CC[C@@H]1C[NH2+]C(CC)(CC)CN1Cc1nccn1C ZINC000086264801 179261015 /nfs/dbraw/zinc/26/10/15/179261015.db2.gz KZBQCSJGEKKDBZ-CYBMUJFWSA-N 1 0 264.417 2.163 10 0 CEAERO C[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1CCc1cscn1 ZINC000086265541 179261784 /nfs/dbraw/zinc/26/17/84/179261784.db2.gz SWKGHSSMUXNGIF-BXUZGUMPSA-N 1 0 265.426 2.148 10 0 CEAERO C[C@H]1C[NH2+][C@H](C2CC2)CN1[C@@H]1COc2ccccc21 ZINC000086267134 179261862 /nfs/dbraw/zinc/26/18/62/179261862.db2.gz YJEVDYISORFEMW-TUKIKUTGSA-N 1 0 258.365 2.192 10 0 CEAERO CC(C)[C@@H]1C[NH2+]C(C)(C)CN1CCc1cscn1 ZINC000086265559 179261971 /nfs/dbraw/zinc/26/19/71/179261971.db2.gz QJGQPHDURYAKES-ZDUSSCGKSA-N 1 0 267.442 2.394 10 0 CEAERO CC[C@H]1CN(CCc2ccc(OC)c(OC)c2)CCC[NH2+]1 ZINC000086269753 179262480 /nfs/dbraw/zinc/26/24/80/179262480.db2.gz WINWXAOLNQSFOP-HNNXBMFYSA-N 1 0 292.423 2.320 10 0 CEAERO C[C@H]([NH3+])C1CCN(c2nc(Br)cs2)CC1 ZINC000086290812 179265169 /nfs/dbraw/zinc/26/51/69/179265169.db2.gz DLNZNBLIXQDRBV-ZETCQYMHSA-N 1 0 290.230 2.469 10 0 CEAERO CC(C)C[C@@H]1CN(Cc2nccs2)CCC[NH2+]1 ZINC000086289976 179264132 /nfs/dbraw/zinc/26/41/32/179264132.db2.gz XLTZFKYMQUEHSF-GFCCVEGCSA-N 1 0 253.415 2.353 10 0 CEAERO Cc1nc(CN2CCC[NH2+][C@H](C3CC3)C2)cs1 ZINC000086290010 179264212 /nfs/dbraw/zinc/26/42/12/179264212.db2.gz IOEDMDGGOFORAS-ZDUSSCGKSA-N 1 0 251.399 2.025 10 0 CEAERO C[C@@]1(c2ccccc2)C[N@@H+](C2CCOCC2)CCCN1 ZINC000086287277 179264608 /nfs/dbraw/zinc/26/46/08/179264608.db2.gz IMUCDKPCGIIRKX-KRWDZBQOSA-N 1 0 274.408 2.376 10 0 CEAERO CCN1C(=O)CC[C@@H]([NH3+])[C@H]1c1ccc2ccccc2n1 ZINC000086317421 179270514 /nfs/dbraw/zinc/27/05/14/179270514.db2.gz AXCRKDGBKBVUJC-WBMJQRKESA-N 1 0 269.348 2.246 10 0 CEAERO CN(c1nc(Br)cs1)[C@H]1CCC[C@@H]1C[NH3+] ZINC000086291039 179265625 /nfs/dbraw/zinc/26/56/25/179265625.db2.gz ZQVDZUNCYMIIKJ-SFYZADRCSA-N 1 0 290.230 2.469 10 0 CEAERO Brc1csc(OC[C@@H]2CCC[NH2+]2)n1 ZINC000086291616 179266598 /nfs/dbraw/zinc/26/65/98/179266598.db2.gz WZYXKZIPCGTHLU-LURJTMIESA-N 1 0 263.160 2.036 10 0 CEAERO CC[C@@]1(C)CN(CCc2nccs2)CCC[NH2+]1 ZINC000086296845 179267352 /nfs/dbraw/zinc/26/73/52/179267352.db2.gz FUFPYBPGVKMRBQ-ZDUSSCGKSA-N 1 0 253.415 2.150 10 0 CEAERO Cn1ccnc1CN1CCC[NH2+][C@@](C)(c2ccccc2)C1 ZINC000086297329 179267866 /nfs/dbraw/zinc/26/78/66/179267866.db2.gz QJXVGSHDMXJSNN-QGZVFWFLSA-N 1 0 284.407 2.131 10 0 CEAERO COc1ccc(CN2CCC[NH2+]C(C)(C)C2)c(OC)c1 ZINC000086297654 179267887 /nfs/dbraw/zinc/26/78/87/179267887.db2.gz MPUHIPJNTQCLSN-UHFFFAOYSA-N 1 0 278.396 2.278 10 0 CEAERO CC[C@@H](C)[C@H]1CN(Cc2cscn2)CCC[NH2+]1 ZINC000086297831 179268025 /nfs/dbraw/zinc/26/80/25/179268025.db2.gz CRIIXMFGYRLHEE-DGCLKSJQSA-N 1 0 253.415 2.353 10 0 CEAERO CC[C@H](COC)[N@@H+]1CCCN[C@H](c2ccccc2)C1 ZINC000086299517 179269224 /nfs/dbraw/zinc/26/92/24/179269224.db2.gz CZSLGXSSYLTFJK-CVEARBPZSA-N 1 0 262.397 2.448 10 0 CEAERO CCN(CCOC)[C@@H](C[NH3+])c1cc(Cl)cs1 ZINC000086333293 179273120 /nfs/dbraw/zinc/27/31/20/179273120.db2.gz BRRBSEVQLGJNHG-JTQLQIEISA-N 1 0 262.806 2.370 10 0 CEAERO COC[C@H](C)C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000103379180 185834682 /nfs/dbraw/zinc/83/46/82/185834682.db2.gz KPZSQPHHHCWUHG-LSDHHAIUSA-N 1 0 284.444 2.142 10 0 CEAERO CN(CCC[NH+](C)C)c1nc2c(s1)CCCC2=O ZINC000086441853 179293372 /nfs/dbraw/zinc/29/33/72/179293372.db2.gz WXKDCLSJBSTGOE-UHFFFAOYSA-N 1 0 267.398 2.050 10 0 CEAERO C[C@@H]1CN(c2nc3c(s2)CCC[C@@H]3[NH3+])CC(C)(C)O1 ZINC000086443633 179293572 /nfs/dbraw/zinc/29/35/72/179293572.db2.gz XXOZILYBHXVLML-ZJUUUORDSA-N 1 0 281.425 2.483 10 0 CEAERO CC[C@@H]1CN(c2nc3c(s2)CCC[C@@H]3[NH2+]C)CCO1 ZINC000086442760 179293831 /nfs/dbraw/zinc/29/38/31/179293831.db2.gz LSQVPHHKGZFBLE-MNOVXSKESA-N 1 0 281.425 2.355 10 0 CEAERO CCN(c1nc2c(s1)CCC[C@H]2[NH3+])[C@@H](C)COC ZINC000086443238 179294105 /nfs/dbraw/zinc/29/41/05/179294105.db2.gz CBFCUASQBVKKKL-VHSXEESVSA-N 1 0 269.414 2.340 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)c1n[nH]c2ccccc21 ZINC000086446316 179294639 /nfs/dbraw/zinc/29/46/39/179294639.db2.gz XWWIRKGPNZOBBR-NWDGAFQWSA-N 1 0 286.379 2.166 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)COc1ccccc1 ZINC000086446563 179294692 /nfs/dbraw/zinc/29/46/92/179294692.db2.gz YEAMTKHWNIXAFL-UONOGXRCSA-N 1 0 276.380 2.054 10 0 CEAERO CC[N@@H+]1CCN(c2nc3c(s2)CCC[C@@H]3O)C[C@@H]1C ZINC000086444813 179295127 /nfs/dbraw/zinc/29/51/27/179295127.db2.gz RJQMYQRUHVLVSJ-QWRGUYRKSA-N 1 0 281.425 2.043 10 0 CEAERO CC[C@@H]1CN(C(=O)c2cc(C)oc2C)[C@H](CC)C[NH2+]1 ZINC000086447247 179295375 /nfs/dbraw/zinc/29/53/75/179295375.db2.gz ANTDOWBPJQHMNN-CHWSQXEVSA-N 1 0 264.369 2.499 10 0 CEAERO CC[C@@H]1CN(C(=O)C[C@H]2C=CCC2)[C@H](CC)C[NH2+]1 ZINC000086447572 179295581 /nfs/dbraw/zinc/29/55/81/179295581.db2.gz HJXUHJQRDKBKCC-BFHYXJOUSA-N 1 0 250.386 2.332 10 0 CEAERO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)COC)c1ccco1 ZINC000103432539 185840012 /nfs/dbraw/zinc/84/00/12/185840012.db2.gz LMGFKIROSGLWPK-STQMWFEESA-N 1 0 282.384 2.061 10 0 CEAERO [NH3+][C@@H]1COC[C@H]1c1nc2ccc(Cl)cc2s1 ZINC000086480055 179300684 /nfs/dbraw/zinc/30/06/84/179300684.db2.gz BGHOINTWAKXFPI-HTQZYQBOSA-N 1 0 254.742 2.391 10 0 CEAERO C[C@]1(c2nc([C@H]3Cc4ccccc43)no2)CC[NH2+]C1 ZINC000086486216 179301864 /nfs/dbraw/zinc/30/18/64/179301864.db2.gz ISQHKYFJXPNYNK-WFASDCNBSA-N 1 0 255.321 2.009 10 0 CEAERO CCCc1cc(NN)[nH+]c([C@@H]2Cc3ccccc32)n1 ZINC000086490638 179302394 /nfs/dbraw/zinc/30/23/94/179302394.db2.gz LNYNSGUUZULZSJ-CYBMUJFWSA-N 1 0 254.337 2.403 10 0 CEAERO CCN1C(=[NH2+])NC[C@]1(C)c1ccccc1Br ZINC000086459606 179296328 /nfs/dbraw/zinc/29/63/28/179296328.db2.gz OWYPSJSKHURNBB-GFCCVEGCSA-N 1 0 282.185 2.315 10 0 CEAERO C[C@@H]1CN(C(=O)c2cc(Cl)cn2C2CC2)[C@@H](C)C[NH2+]1 ZINC000086467583 179298096 /nfs/dbraw/zinc/29/80/96/179298096.db2.gz RZXBCPNMOZIPMF-ZJUUUORDSA-N 1 0 281.787 2.299 10 0 CEAERO [NH3+]C[C@@](O)(c1cscc1Br)C(F)(F)F ZINC000086557040 179307695 /nfs/dbraw/zinc/30/76/95/179307695.db2.gz ULRDZJIPUGWZSI-ZCFIWIBFSA-N 1 0 290.104 2.219 10 0 CEAERO CC(C)(C)c1ccc(C[C@@H]([NH3+])[C@H]2CCS(=O)(=O)C2)cc1 ZINC000086566323 179307774 /nfs/dbraw/zinc/30/77/74/179307774.db2.gz RCSKPSMFGZPWSJ-DZGCQCFKSA-N 1 0 295.448 2.289 10 0 CEAERO CO[C@@H](C)[C@H]([NH3+])Cc1ccc(F)c(Br)c1 ZINC000086576144 179308315 /nfs/dbraw/zinc/30/83/15/179308315.db2.gz CBTBFBJORARQRF-WRWORJQWSA-N 1 0 276.149 2.493 10 0 CEAERO CO[C@H](C)[C@@H]([NH3+])Cc1ccc(Br)s1 ZINC000086576745 179308825 /nfs/dbraw/zinc/30/88/25/179308825.db2.gz KXSCXTPUSLRAHS-SVRRBLITSA-N 1 0 264.188 2.415 10 0 CEAERO COC(=O)CC[C@@H]([NH3+])Cc1ccc(OC)c(Cl)c1 ZINC000086584640 179309282 /nfs/dbraw/zinc/30/92/82/179309282.db2.gz BTDZFCOAHROWNH-SNVBAGLBSA-N 1 0 271.744 2.172 10 0 CEAERO COc1ccc([C@H]2[C@@H](C[NH3+])OCCN2C(C)C)cc1Cl ZINC000086584987 179309506 /nfs/dbraw/zinc/30/95/06/179309506.db2.gz WCQPLYQIYCRRSX-CABCVRRESA-N 1 0 298.814 2.458 10 0 CEAERO Cc1cnc([C@H](C)NC(=O)[C@@](C)([NH3+])c2ccccc2)o1 ZINC000231744757 539580976 /nfs/dbraw/zinc/58/09/76/539580976.db2.gz JCVSQRRRLWASNI-NHYWBVRUSA-N 1 0 273.336 2.034 10 0 CEAERO [NH3+]Cc1ccc2c(c1)nc(-c1cnccn1)n2C1CC1 ZINC000086641553 179315348 /nfs/dbraw/zinc/31/53/48/179315348.db2.gz VVZKMKANFRQMGH-UHFFFAOYSA-N 1 0 265.320 2.287 10 0 CEAERO CC1CCC([NH2+][C@H]2CCC[C@@H]2S(C)(=O)=O)CC1 ZINC000086670427 179317399 /nfs/dbraw/zinc/31/73/99/179317399.db2.gz SGPLGRGZCABPCE-TYUFSLCMSA-N 1 0 259.415 2.120 10 0 CEAERO COc1ccccc1[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1S(C)(=O)=O ZINC000086670958 179317641 /nfs/dbraw/zinc/31/76/41/179317641.db2.gz XGDJQPLWVUYWDO-KYOSRNDESA-N 1 0 297.420 2.312 10 0 CEAERO Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1S(C)(=O)=O ZINC000086675028 179318718 /nfs/dbraw/zinc/31/87/18/179318718.db2.gz OAAYSWFDZGHUGB-IMJJTQAJSA-N 1 0 295.448 2.481 10 0 CEAERO Cc1nc(CN(C)[C@]2(C[NH3+])CCC[C@@H]2C)cs1 ZINC000086676971 179319097 /nfs/dbraw/zinc/31/90/97/179319097.db2.gz ADCUTRDOMZYUCK-GWCFXTLKSA-N 1 0 253.415 2.401 10 0 CEAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2S(C)(=O)=O)[C@H](C)C1 ZINC000086676137 179319354 /nfs/dbraw/zinc/31/93/54/179319354.db2.gz DOZQILINMLTFAQ-RGDJUOJXSA-N 1 0 273.442 2.366 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccccc1C(=O)OC ZINC000130365896 365948035 /nfs/dbraw/zinc/94/80/35/365948035.db2.gz GGHJTGXZKGNIFJ-HNNXBMFYSA-N 1 0 290.407 2.389 10 0 CEAERO CCOC(=O)[C@H](C)OC1(C[NH3+])CCC(C(C)C)CC1 ZINC000086713615 179322824 /nfs/dbraw/zinc/32/28/24/179322824.db2.gz YKYAZRPZFWUUHL-OPFPJEHXSA-N 1 0 271.401 2.498 10 0 CEAERO CC(C)C1CCC(C[NH3+])(O[C@H](C)C(=O)N(C)C)CC1 ZINC000086713472 179322936 /nfs/dbraw/zinc/32/29/36/179322936.db2.gz YEBHHERLTGJONV-DNOWBOINSA-N 1 0 270.417 2.023 10 0 CEAERO CC(C)C1CCC(C[NH3+])(OC[C@H](O)C(F)(F)F)CC1 ZINC000086713617 179322980 /nfs/dbraw/zinc/32/29/80/179322980.db2.gz JWEJQENGRHGLQI-CXQJBGSLSA-N 1 0 283.334 2.470 10 0 CEAERO Cn1cnnc1-c1ccc(N[C@H]2CCC[N@H+](C)CC2)cc1 ZINC000086817804 179345977 /nfs/dbraw/zinc/34/59/77/179345977.db2.gz VZRQMXMFFSTWNU-AWEZNQCLSA-N 1 0 285.395 2.378 10 0 CEAERO C[N@@H+]1CCC[C@H](Nc2ccc(-n3cncn3)cc2)CC1 ZINC000086818643 179346766 /nfs/dbraw/zinc/34/67/66/179346766.db2.gz GLEMDTBVKDRIBZ-ZDUSSCGKSA-N 1 0 271.368 2.164 10 0 CEAERO COC(=O)[C@]1(Nc2ccccc2F)CCC[N@H+](C)CC1 ZINC000086833337 179349858 /nfs/dbraw/zinc/34/98/58/179349858.db2.gz NLGQZRDGBZAISH-HNNXBMFYSA-N 1 0 280.343 2.265 10 0 CEAERO COc1ccc(OC)c([C@@]2(O)CCC[N@H+](C)CC2)c1 ZINC000086834125 179350238 /nfs/dbraw/zinc/35/02/38/179350238.db2.gz OCJRFGCSUUDWBD-OAHLLOKOSA-N 1 0 265.353 2.007 10 0 CEAERO CC(C)[N@@H+]1CCC[C@@](Nc2ccc(F)cc2)(C(N)=O)CC1 ZINC000086849361 179357865 /nfs/dbraw/zinc/35/78/65/179357865.db2.gz JNPNAYLLMZKCMD-INIZCTEOSA-N 1 0 293.386 2.356 10 0 CEAERO CCC[N@@H+]1CCC[C@H](NCc2ccc(OC)nc2)CC1 ZINC000086836788 179351153 /nfs/dbraw/zinc/35/11/53/179351153.db2.gz RJLDDTOVSIWUET-HNNXBMFYSA-N 1 0 277.412 2.444 10 0 CEAERO CC[N@@H+]1CCC[C@H](Nc2cccc(C(=O)NC)c2)CC1 ZINC000086836266 179351537 /nfs/dbraw/zinc/35/15/37/179351537.db2.gz HJUABEKKAGAOAY-AWEZNQCLSA-N 1 0 275.396 2.333 10 0 CEAERO CC(C)[N@@H+]1CCC[C@](CC(=O)[O-])([NH+]2CCCC2)CC1 ZINC000086868471 179360493 /nfs/dbraw/zinc/36/04/93/179360493.db2.gz MIUVPGDKRYIWNG-HNNXBMFYSA-N 1 0 268.401 2.190 10 0 CEAERO CCC[N@@H+]1CCC[C@@](O)([C@H](C(=O)OC)C(C)C)CC1 ZINC000086868325 179360967 /nfs/dbraw/zinc/36/09/67/179360967.db2.gz IISQEFXWVOVFEP-ZFWWWQNUSA-N 1 0 271.401 2.059 10 0 CEAERO CCC[N@@H+]1CCC[C@H]([NH+](CC)C[C@@H](C)C(=O)[O-])CC1 ZINC000086868943 179361329 /nfs/dbraw/zinc/36/13/29/179361329.db2.gz JWCQEESUGCCDKB-KGLIPLIRSA-N 1 0 270.417 2.294 10 0 CEAERO CCC[N@@H+]1CCC[C@@H]([NH2+][C@@](C)(CCC)C(=O)[O-])CC1 ZINC000086868645 179361754 /nfs/dbraw/zinc/36/17/54/179361754.db2.gz GEQHCRFIRARLGX-HIFRSBDPSA-N 1 0 270.417 2.484 10 0 CEAERO CCC[N@H+](CC(=O)[O-])[C@@H]1CCC[NH+](C(C)C)CC1 ZINC000086869058 179361994 /nfs/dbraw/zinc/36/19/94/179361994.db2.gz OWYDOYYWZHVJOA-CYBMUJFWSA-N 1 0 256.390 2.046 10 0 CEAERO CC(C)(C)[C@H](Cn1ccnc1)[NH2+][C@@H]1CCCOCC1 ZINC000086873183 179364597 /nfs/dbraw/zinc/36/45/97/179364597.db2.gz GWKQMBSXNXORIN-KGLIPLIRSA-N 1 0 265.401 2.457 10 0 CEAERO CCC[N@@H+]1CCC[C@](NC(C)C)(C(=O)OCC)CC1 ZINC000086849781 179358310 /nfs/dbraw/zinc/35/83/10/179358310.db2.gz INNNYIIHFGEHFN-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CCC[N@@H+]1CCC[C@](NCC2CC2)(C(=O)OCC)CC1 ZINC000086850352 179358673 /nfs/dbraw/zinc/35/86/73/179358673.db2.gz QLCIFCAQWUVLDQ-MRXNPFEDSA-N 1 0 282.428 2.184 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH2+]C)c1ccc(OC)cc1 ZINC000086978342 179372795 /nfs/dbraw/zinc/37/27/95/179372795.db2.gz WYUOUXXFHJBAQW-AWEZNQCLSA-N 1 0 285.409 2.171 10 0 CEAERO CCS(=O)(=O)CCC[C@@H](C[NH3+])Cc1ccccc1C ZINC000086980710 179372987 /nfs/dbraw/zinc/37/29/87/179372987.db2.gz JREOWCAAPCENIG-CQSZACIVSA-N 1 0 283.437 2.327 10 0 CEAERO CCS(=O)(=O)CCC[C@H](C[NH2+]C)Cc1ccccc1 ZINC000086980770 179373065 /nfs/dbraw/zinc/37/30/65/179373065.db2.gz DFVOALIULVKHCT-HNNXBMFYSA-N 1 0 283.437 2.280 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH3+])Cc1ccc(C)cc1 ZINC000086979289 179373140 /nfs/dbraw/zinc/37/31/40/179373140.db2.gz FYZBJFKZYQBZMV-CQSZACIVSA-N 1 0 269.410 2.080 10 0 CEAERO CC[NH2+][C@H](CCCS(=O)(=O)CC)Cc1cccs1 ZINC000086979324 179373182 /nfs/dbraw/zinc/37/31/82/179373182.db2.gz YWXQFZCGQWSETL-GFCCVEGCSA-N 1 0 289.466 2.484 10 0 CEAERO CCS(=O)(=O)CCC[C@H](C[NH3+])Cc1ccccc1OC ZINC000086980725 179373192 /nfs/dbraw/zinc/37/31/92/179373192.db2.gz JUEQMXRYFZGNTI-ZDUSSCGKSA-N 1 0 299.436 2.028 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH2+]C)c1ccc(F)cc1F ZINC000086979533 179373196 /nfs/dbraw/zinc/37/31/96/179373196.db2.gz KBSLRXYGKDWRAG-ZDUSSCGKSA-N 1 0 291.363 2.440 10 0 CEAERO CCC[NH2+][C@@H](CCCS(=O)(=O)CC)Cc1cccnc1 ZINC000086979341 179373203 /nfs/dbraw/zinc/37/32/03/179373203.db2.gz WBTISPYNVLVFTD-HNNXBMFYSA-N 1 0 298.452 2.207 10 0 CEAERO C[N@H+](CC1CCCCC1)[C@@]1(CN)CCCOCC1 ZINC000086875271 179365546 /nfs/dbraw/zinc/36/55/46/179365546.db2.gz KMPQXMNKOLTJAS-HNNXBMFYSA-N 1 0 254.418 2.397 10 0 CEAERO CC[C@H]1CCC[C@@](C(=O)[O-])([N@@H+]2CCC[NH2+]CC2)CC1 ZINC000086915556 179366903 /nfs/dbraw/zinc/36/69/03/179366903.db2.gz VLEFRJCPFNHKOX-DZGCQCFKSA-N 1 0 268.401 2.095 10 0 CEAERO CC(C)[C@H]1CCC[C@](CO)([NH2+]CCN(C)C)CC1 ZINC000086952263 179368453 /nfs/dbraw/zinc/36/84/53/179368453.db2.gz HIEUQSXFQXBRCO-GJZGRUSLSA-N 1 0 256.434 2.105 10 0 CEAERO CC(C)[C@@H]1CCC[C@](CO)([NH2+]CCN(C)C)CC1 ZINC000086952261 179368622 /nfs/dbraw/zinc/36/86/22/179368622.db2.gz HIEUQSXFQXBRCO-CABCVRRESA-N 1 0 256.434 2.105 10 0 CEAERO CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC(=O)N2)CC1 ZINC000086947353 179368699 /nfs/dbraw/zinc/36/86/99/179368699.db2.gz NSKXHROFSZDKQE-MCIONIFRSA-N 1 0 252.402 2.460 10 0 CEAERO CC(C)[C@@H]1CCC[C@@](C(=O)[O-])([N@@H+]2CCC[NH2+]CC2)CC1 ZINC000086949799 179368761 /nfs/dbraw/zinc/36/87/61/179368761.db2.gz ZLVMFCGVSDRUCV-GDBMZVCRSA-N 1 0 282.428 2.341 10 0 CEAERO CC(C)[C@H]1CCC[C@@](C[NH3+])(N2CCOCC2)CC1 ZINC000086947837 179369002 /nfs/dbraw/zinc/36/90/02/179369002.db2.gz TZKRDXJIHZFPJQ-LSDHHAIUSA-N 1 0 254.418 2.252 10 0 CEAERO C[NH2+][C@H](C)[C@H](c1nc(-c2cccnc2)no1)C(C)C ZINC000104068529 185892466 /nfs/dbraw/zinc/89/24/66/185892466.db2.gz BRHOOBYGMXQUAE-ZYHUDNBSSA-N 1 0 260.341 2.479 10 0 CEAERO CCS(=O)(=O)CCCOc1ccc(CC[C@@H](C)[NH3+])cc1 ZINC000086972642 179371450 /nfs/dbraw/zinc/37/14/50/179371450.db2.gz JDMRGAPRWZQIQI-CYBMUJFWSA-N 1 0 299.436 2.170 10 0 CEAERO CCS(=O)(=O)CCCC[C@@H]([NH3+])c1ccccc1 ZINC000086976228 179371940 /nfs/dbraw/zinc/37/19/40/179371940.db2.gz DGPWQILAOMHOAO-CYBMUJFWSA-N 1 0 255.383 2.291 10 0 CEAERO CC[C@@H]([NH2+]CCCS(=O)(=O)CC)c1nccs1 ZINC000086974549 179372141 /nfs/dbraw/zinc/37/21/41/179372141.db2.gz WAKACHUEKIJJFH-SNVBAGLBSA-N 1 0 276.427 2.009 10 0 CEAERO Cc1nnc(SC[C@H]2CC3(CO2)CC[NH2+]CC3)s1 ZINC000066346611 362862425 /nfs/dbraw/zinc/86/24/25/362862425.db2.gz IHXYPODPZIFCGM-SNVBAGLBSA-N 1 0 285.438 2.097 10 0 CEAERO CC(C)[NH2+]Cc1cnc([C@@H]2CSCCS2)[nH]1 ZINC000086985457 179374481 /nfs/dbraw/zinc/37/44/81/179374481.db2.gz SZGGLKMRQLKAIX-JTQLQIEISA-N 1 0 257.428 2.429 10 0 CEAERO CC[NH2+][C@@H](Cc1ccccc1)[C@H]1CSCCO1 ZINC000086989035 179374659 /nfs/dbraw/zinc/37/46/59/179374659.db2.gz BVSJZGILFBDVQL-UONOGXRCSA-N 1 0 251.395 2.339 10 0 CEAERO [NH3+]CC[C@@H]1CCCCN1C(=O)c1c(F)cc(F)cc1F ZINC000086998020 179377489 /nfs/dbraw/zinc/37/74/89/179377489.db2.gz WRHRBAQGTNZQNF-JTQLQIEISA-N 1 0 286.297 2.447 10 0 CEAERO COC(=O)c1occc1C[NH2+]C[C@@]1(O)CCC[C@H](C)C1 ZINC000087050925 179388731 /nfs/dbraw/zinc/38/87/31/179388731.db2.gz PITVVUSQHDSEPY-XHDPSFHLSA-N 1 0 281.352 2.097 10 0 CEAERO CCC[NH2+]CC(=O)Nc1cc(Br)ccc1O ZINC000087049237 179389057 /nfs/dbraw/zinc/38/90/57/179389057.db2.gz DCZHOSAVQFDIGB-UHFFFAOYSA-N 1 0 287.157 2.093 10 0 CEAERO Cc1ccc(NC(=O)C[NH2+]CC2(O)CCCCC2)cc1 ZINC000087029132 179382384 /nfs/dbraw/zinc/38/23/84/179382384.db2.gz GGZOGFGIPQFBPL-UHFFFAOYSA-N 1 0 276.380 2.218 10 0 CEAERO O[C@H](C[NH2+]CC1(O)CCCCC1)c1cc(F)ccc1F ZINC000087029212 179382476 /nfs/dbraw/zinc/38/24/76/179382476.db2.gz HLJOHLCZLMBEFK-CQSZACIVSA-N 1 0 285.334 2.283 10 0 CEAERO CCCSCc1noc(C[C@@H]([NH2+]C)C2CC2)n1 ZINC000087108332 179395325 /nfs/dbraw/zinc/39/53/25/179395325.db2.gz OLPUNDIETIWGSM-SNVBAGLBSA-N 1 0 255.387 2.253 10 0 CEAERO CCCSC[C@@H](Cc1cccnc1N)[NH2+]CC ZINC000087107617 179395440 /nfs/dbraw/zinc/39/54/40/179395440.db2.gz RWYDJRVSOBKJRL-GFCCVEGCSA-N 1 0 253.415 2.328 10 0 CEAERO C[C@@H]1CCC[C@](O)(C[NH2+]CCCOCC(F)(F)F)C1 ZINC000087064646 179390034 /nfs/dbraw/zinc/39/00/34/179390034.db2.gz CKTQFVMPTVVCSZ-VXGBXAGGSA-N 1 0 283.334 2.486 10 0 CEAERO Cc1nc(C[NH2+]C[C@@]2(O)CCC[C@@H](C)C2)oc1C ZINC000087065472 179390243 /nfs/dbraw/zinc/39/02/43/179390243.db2.gz RWJIITTXUDDDIR-QMTHXVAHSA-N 1 0 252.358 2.322 10 0 CEAERO CCC1CCC(O)(C[NH2+]C[C@@H](O)COC2CCCC2)CC1 ZINC000087065949 179390326 /nfs/dbraw/zinc/39/03/26/179390326.db2.gz GKYUBWMAEDTJNT-ISXOHVOVSA-N 1 0 299.455 2.227 10 0 CEAERO CCC1CCC(O)(C[NH2+]CCOCC(F)(F)F)CC1 ZINC000087066055 179390429 /nfs/dbraw/zinc/39/04/29/179390429.db2.gz BQKKNJTWHOGLQO-UHFFFAOYSA-N 1 0 283.334 2.486 10 0 CEAERO COc1cccc([C@@H]2C[NH2+]CC(C)(C)O2)c1OC ZINC000087090373 179394059 /nfs/dbraw/zinc/39/40/59/179394059.db2.gz SMKJLZRXZOLWCS-LBPRGKRZSA-N 1 0 251.326 2.143 10 0 CEAERO COc1ccc(C[C@]2(C)C[NH2+]C[C@@H](C)O2)cc1OC ZINC000087090081 179394113 /nfs/dbraw/zinc/39/41/13/179394113.db2.gz OCIFCVOTWUUGFU-IAQYHMDHSA-N 1 0 265.353 2.013 10 0 CEAERO Nc1cc[nH+]cc1C[C@@H](O)CSC1CCCC1 ZINC000087143471 179397620 /nfs/dbraw/zinc/39/76/20/179397620.db2.gz QQJVGBPPDFHUEG-LLVKDONJSA-N 1 0 252.383 2.243 10 0 CEAERO COc1ccc(CC2(O)C[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC000087172577 179399132 /nfs/dbraw/zinc/39/91/32/179399132.db2.gz MYOAGCPDIYDPOG-ODOQXGPZSA-N 1 0 265.328 2.022 10 0 CEAERO COCC[NH2+]Cc1cnc(CSCC(C)C)nc1 ZINC000087125433 179396148 /nfs/dbraw/zinc/39/61/48/179396148.db2.gz KJMKOYDFOAZDFK-UHFFFAOYSA-N 1 0 269.414 2.102 10 0 CEAERO CC(C)C[NH2+]CCc1ncc([C@H]2CCCOC2)o1 ZINC000087346111 179414934 /nfs/dbraw/zinc/41/49/34/179414934.db2.gz RSHFISZLFXIYTR-LBPRGKRZSA-N 1 0 252.358 2.357 10 0 CEAERO COc1ccc(C)cc1[C@@H](C[NH3+])[C@H](O)c1ccco1 ZINC000087352978 179415587 /nfs/dbraw/zinc/41/55/87/179415587.db2.gz SZIMADATTJHSOQ-DOMZBBRYSA-N 1 0 261.321 2.373 10 0 CEAERO COc1ccc(OC)c([C@@H](O)[C@@H](C[NH3+])CC(C)C)c1 ZINC000087379235 179417750 /nfs/dbraw/zinc/41/77/50/179417750.db2.gz CCBGUFMEXBOUOX-ABAIWWIYSA-N 1 0 267.369 2.358 10 0 CEAERO CCCS(=O)(=O)c1ccccc1N[C@@H](C[NH3+])C(C)C ZINC000087405965 179419953 /nfs/dbraw/zinc/41/99/53/179419953.db2.gz WVPXDNZMTUTQHW-ZDUSSCGKSA-N 1 0 284.425 2.266 10 0 CEAERO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1snnc1C(C)(C)C ZINC000087455707 179427906 /nfs/dbraw/zinc/42/79/06/179427906.db2.gz XVWMIHOVZXTZJD-UWVGGRQHSA-N 1 0 296.440 2.178 10 0 CEAERO CC(C)(C)[NH2+]CC1(CCCS(C)(=O)=O)CCC1 ZINC000087411863 179422646 /nfs/dbraw/zinc/42/26/46/179422646.db2.gz XIDKAZWHSBFGBA-UHFFFAOYSA-N 1 0 261.431 2.370 10 0 CEAERO COc1cccc(N(CCC[NH3+])c2nc(C)ns2)c1 ZINC000087632213 179459836 /nfs/dbraw/zinc/45/98/36/179459836.db2.gz UMBWAEMWVHCQNR-UHFFFAOYSA-N 1 0 278.381 2.342 10 0 CEAERO C[NH2+]CCC1CCN(c2nc(C(C)C)ns2)CC1 ZINC000087642811 179462383 /nfs/dbraw/zinc/46/23/83/179462383.db2.gz AFLQJPKLDNUJLD-UHFFFAOYSA-N 1 0 268.430 2.487 10 0 CEAERO [NH3+]C[C@H](Cc1ccccc1)Nc1nc(C2CC2)ns1 ZINC000087644412 179463487 /nfs/dbraw/zinc/46/34/87/179463487.db2.gz WVOSUBCLTYTOFO-LBPRGKRZSA-N 1 0 274.393 2.397 10 0 CEAERO CC[C@@H]1CO[C@H](C)CN1C(=O)[C@@H](C)CCC[C@@H](C)[NH3+] ZINC000087684948 179470293 /nfs/dbraw/zinc/47/02/93/179470293.db2.gz QTWYGTTWMYNYDS-REWJHTLYSA-N 1 0 270.417 2.166 10 0 CEAERO C[C@H](Cc1ccco1)NC(=O)CCC(C)(C)CC[NH3+] ZINC000087693610 179471138 /nfs/dbraw/zinc/47/11/38/179471138.db2.gz SLYZBIBVPABWMQ-GFCCVEGCSA-N 1 0 266.385 2.482 10 0 CEAERO Cc1cc(C(N)=O)ccc1NC(=O)[C@@H](C)CCC[C@@H](C)[NH3+] ZINC000087693761 179471186 /nfs/dbraw/zinc/47/11/86/179471186.db2.gz CBHPXEOWPVCRSK-CMPLNLGQSA-N 1 0 291.395 2.186 10 0 CEAERO CC(C)C[NH+](Cc1nn(C)cc1C=O)CC(C)C ZINC000675052771 539643877 /nfs/dbraw/zinc/64/38/77/539643877.db2.gz AEVFGZAGMAMJPS-UHFFFAOYSA-N 1 0 251.374 2.347 10 0 CEAERO Cc1nc(CNC(=O)[C@H](C)CCC[C@@H](C)[NH3+])cs1 ZINC000087699668 179472745 /nfs/dbraw/zinc/47/27/45/179472745.db2.gz RSVDVGNSCALDTM-NXEZZACHSA-N 1 0 269.414 2.221 10 0 CEAERO C[NH2+][C@@H](Cc1ncc(C)c(OC)c1C)[C@H]1CCCO1 ZINC000087802270 179488318 /nfs/dbraw/zinc/48/83/18/179488318.db2.gz ZTQQUQSWRWJLBZ-UONOGXRCSA-N 1 0 264.369 2.017 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 ZINC000087516888 179438710 /nfs/dbraw/zinc/43/87/10/179438710.db2.gz RIKDSDVQPWAWHP-SECBINFHSA-N 1 0 298.770 2.440 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)Nc1ccc(-c2cnco2)cc1 ZINC000087523336 179440290 /nfs/dbraw/zinc/44/02/90/179440290.db2.gz GDVHANBUCKHLIO-JTQLQIEISA-N 1 0 259.309 2.265 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N(CCOC)Cc1cccs1 ZINC000087525009 179440799 /nfs/dbraw/zinc/44/07/99/179440799.db2.gz RJZXGIMSBKAGBW-GFCCVEGCSA-N 1 0 284.425 2.098 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)N(Cc1ccc(C)o1)C1CC1 ZINC000087526502 179441194 /nfs/dbraw/zinc/44/11/94/179441194.db2.gz ACTJAMDUEHETFM-LBPRGKRZSA-N 1 0 264.369 2.454 10 0 CEAERO CCOC(=O)C[C@@H]([NH2+]C)c1ccc2c(c1)OCCCO2 ZINC000087547308 179443940 /nfs/dbraw/zinc/44/39/40/179443940.db2.gz QPITWTAUWYTPES-GFCCVEGCSA-N 1 0 279.336 2.062 10 0 CEAERO CCC[NH2+][C@@H](CC(=O)OC)c1ccc2c(c1)OCO2 ZINC000087552687 179445587 /nfs/dbraw/zinc/44/55/87/179445587.db2.gz DUQUMBLNRJACHW-NSHDSACASA-N 1 0 265.309 2.019 10 0 CEAERO C[NH2+]C1(CC(=O)NC[C@H](O)c2ccccc2)CCCCC1 ZINC000087576858 179448636 /nfs/dbraw/zinc/44/86/36/179448636.db2.gz IRIZWHSYFOYKTA-HNNXBMFYSA-N 1 0 290.407 2.149 10 0 CEAERO CC(C)(CCCOc1ccc(CO)cc1)C(N)=[NH2+] ZINC000087610839 179454077 /nfs/dbraw/zinc/45/40/77/179454077.db2.gz QPRDCNRFYTYSKI-UHFFFAOYSA-N 1 0 250.342 2.300 10 0 CEAERO OCC[N@@H+]1CCCC[C@H](c2cccc3ccnnc32)C1 ZINC000616627659 348539367 /nfs/dbraw/zinc/53/93/67/348539367.db2.gz MLACSQWAKUFJQR-AWEZNQCLSA-N 1 0 271.364 2.192 10 0 CEAERO CCOC(=O)c1ccccc1[C@H]1C[N@@H+](C(C)C)CCN1 ZINC000616632633 348541623 /nfs/dbraw/zinc/54/16/23/348541623.db2.gz UDISQGWBGUEPJM-OAHLLOKOSA-N 1 0 276.380 2.218 10 0 CEAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1N ZINC000616635397 348542470 /nfs/dbraw/zinc/54/24/70/348542470.db2.gz ABZXVXXDZQMUMF-CYBMUJFWSA-N 1 0 277.368 2.150 10 0 CEAERO CC(C)(C)[N@@H+]1CCCO[C@H](c2ccccc2C(N)=O)C1 ZINC000616649428 348547156 /nfs/dbraw/zinc/54/71/56/348547156.db2.gz JKLAASDLCWPNIO-AWEZNQCLSA-N 1 0 276.380 2.347 10 0 CEAERO C[C@H]([NH2+]CCCN1CCc2ccccc21)C(C)(C)O ZINC000087817485 179492512 /nfs/dbraw/zinc/49/25/12/179492512.db2.gz IVUVEDGYZWFFGV-ZDUSSCGKSA-N 1 0 262.397 2.188 10 0 CEAERO CCC[NH2+][C@H](Cc1ccccc1F)[C@H]1COCCO1 ZINC000087858577 179502855 /nfs/dbraw/zinc/50/28/55/179502855.db2.gz ITVBRNYBBJHJBW-HUUCEWRRSA-N 1 0 267.344 2.152 10 0 CEAERO [NH3+][C@H]1CN(C(=O)CC2CC2)CC[C@@H]1c1ccccc1 ZINC000616571636 348524169 /nfs/dbraw/zinc/52/41/69/348524169.db2.gz QEYOJWIENBIATN-CABCVRRESA-N 1 0 258.365 2.130 10 0 CEAERO CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCC[NH2+]1 ZINC000616575372 348524881 /nfs/dbraw/zinc/52/48/81/348524881.db2.gz KAKDWAQZZDXHGT-GOSISDBHSA-N 1 0 295.386 2.159 10 0 CEAERO CC(C)[N@@H+]1CCOCC[C@H]1c1ccc(CCO)cc1 ZINC000616597122 348528941 /nfs/dbraw/zinc/52/89/41/348528941.db2.gz AZFHQWQFYHRUEO-INIZCTEOSA-N 1 0 263.381 2.393 10 0 CEAERO CC[N@@H+]1CCCOC[C@H]1c1ccccc1NC(C)=O ZINC000616596564 348529197 /nfs/dbraw/zinc/52/91/97/348529197.db2.gz APQNQSOXVJVIIZ-HNNXBMFYSA-N 1 0 262.353 2.428 10 0 CEAERO [NH3+]CCN1CCOCC[C@@H]1c1cccc(Cl)c1 ZINC000616659064 348551005 /nfs/dbraw/zinc/55/10/05/348551005.db2.gz YLUYJPGZNKQMDE-CYBMUJFWSA-N 1 0 254.761 2.062 10 0 CEAERO CC[N@@H+]1CCOCC[C@@H]1c1ccc2ccnnc2c1 ZINC000616598925 348530263 /nfs/dbraw/zinc/53/02/63/348530263.db2.gz LQFVJSXUHVKYSX-OAHLLOKOSA-N 1 0 257.337 2.413 10 0 CEAERO NNc1nc(N[C@@H]2C[C@H]3CC[C@@H]2C3)c(Cl)c[nH+]1 ZINC000087881281 179509163 /nfs/dbraw/zinc/50/91/63/179509163.db2.gz UDNHXDMPFOWGCZ-LKEWCRSYSA-N 1 0 253.737 2.016 10 0 CEAERO CN(C(=O)OC(C)(C)C)c1ccccc1[C@H]1C[NH2+]CCN1 ZINC000616600501 348531182 /nfs/dbraw/zinc/53/11/82/348531182.db2.gz KRJIVMOBNPXWQX-CYBMUJFWSA-N 1 0 291.395 2.292 10 0 CEAERO [NH3+]CCN1CCC(c2cccc3ccncc32)CC1 ZINC000616609536 348533520 /nfs/dbraw/zinc/53/35/20/348533520.db2.gz ZGTMXFNDRKSRIP-UHFFFAOYSA-N 1 0 255.365 2.373 10 0 CEAERO c1ccc(CN2CCOCC[C@@H]2c2ccncn2)cc1 ZINC000616659347 348551332 /nfs/dbraw/zinc/55/13/32/348551332.db2.gz PWODXJFEIWPZOF-MRXNPFEDSA-N 1 0 269.348 2.440 10 0 CEAERO C[C@@H]([NH3+])Cc1cnc([C@H]2CCc3ccccc32)nc1 ZINC000088040621 179537845 /nfs/dbraw/zinc/53/78/45/179537845.db2.gz DHGKFJYHGQKHDS-ABAIWWIYSA-N 1 0 253.349 2.444 10 0 CEAERO CCC[C@H]([NH3+])Cc1nc([C@H]2COc3ccccc3C2)no1 ZINC000088043203 179538251 /nfs/dbraw/zinc/53/82/51/179538251.db2.gz QRHJPQSCIJTXBA-OLZOCXBDSA-N 1 0 287.363 2.458 10 0 CEAERO C[NH2+][C@@H](C)Cc1nc([C@@H]2CCOc3ccccc32)no1 ZINC000088043135 179538568 /nfs/dbraw/zinc/53/85/68/179538568.db2.gz VUJVYHBDCTUGNL-CMPLNLGQSA-N 1 0 273.336 2.134 10 0 CEAERO COC(=O)CCSc1ccc(C[NH3+])cc1Cl ZINC000088046731 179539834 /nfs/dbraw/zinc/53/98/34/179539834.db2.gz KZJDYQSYLOXULM-UHFFFAOYSA-N 1 0 259.758 2.454 10 0 CEAERO CC(C)(C)c1csc(C[S@](=O)CCC[NH3+])n1 ZINC000088067026 179544072 /nfs/dbraw/zinc/54/40/72/179544072.db2.gz IEQLLWSSILFQRX-INIZCTEOSA-N 1 0 260.428 2.038 10 0 CEAERO CCOCC[C@H](C[NH2+]CCOC)c1ccccc1 ZINC000088099376 179546916 /nfs/dbraw/zinc/54/69/16/179546916.db2.gz QDGMHGUYFZCZRF-OAHLLOKOSA-N 1 0 251.370 2.433 10 0 CEAERO CCOC(=O)c1cccc([C@H]2COCC[N@H+](CC)C2)c1 ZINC000616661482 348552700 /nfs/dbraw/zinc/55/27/00/348552700.db2.gz SQUOVHDMHCUJNE-OAHLLOKOSA-N 1 0 277.364 2.299 10 0 CEAERO c1n[nH]cc1[C@H]1COCC[N@@H+](Cc2ccccc2)C1 ZINC000616662690 348553503 /nfs/dbraw/zinc/55/35/03/348553503.db2.gz JZOSDRLEMOGDLX-OAHLLOKOSA-N 1 0 257.337 2.026 10 0 CEAERO Nc1ccccc1[C@@H]1c2ccccc2CC[N@H+]1CCO ZINC000616679484 348557832 /nfs/dbraw/zinc/55/78/32/348557832.db2.gz USBLFKRGXDMZCH-KRWDZBQOSA-N 1 0 268.360 2.209 10 0 CEAERO C[N@@H+]1CCc2ccccc2[C@H]1c1ccc(C(N)=O)cc1 ZINC000616679805 348559089 /nfs/dbraw/zinc/55/90/89/348559089.db2.gz PLYDQHVANSQARH-MRXNPFEDSA-N 1 0 266.344 2.363 10 0 CEAERO [NH3+]CCN1c2ccccc2NC[C@H]1c1ccccn1 ZINC000616683273 348559499 /nfs/dbraw/zinc/55/94/99/348559499.db2.gz MOFYFNTUQQOXCJ-HNNXBMFYSA-N 1 0 254.337 2.014 10 0 CEAERO c1ccc2c(c1)C[C@@H](c1noc(C[C@H]3CCC[NH2+]3)n1)CO2 ZINC000087996373 179532315 /nfs/dbraw/zinc/53/23/15/179532315.db2.gz MTZCDQREMFXDQA-CHWSQXEVSA-N 1 0 285.347 2.083 10 0 CEAERO CC[NH2+][C@@H](C)Cc1nc([C@H]2COc3ccccc3C2)no1 ZINC000087996460 179532706 /nfs/dbraw/zinc/53/27/06/179532706.db2.gz JSZSMAVAFBXGOS-WCQYABFASA-N 1 0 287.363 2.329 10 0 CEAERO CCC(O)(CC)C[NH2+]CCOc1ccc(OC)cc1 ZINC000088401680 179592957 /nfs/dbraw/zinc/59/29/57/179592957.db2.gz HNCPZCKVBPAQDN-UHFFFAOYSA-N 1 0 267.369 2.215 10 0 CEAERO COc1ccccc1OCC[C@@]1(C[NH3+])CCCC[C@@H]1O ZINC000088415931 179596275 /nfs/dbraw/zinc/59/62/75/179596275.db2.gz MNNOAAUNVPPKBF-JKSUJKDBSA-N 1 0 279.380 2.344 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1cnn(C)c1)N1CCC(C(F)(F)F)CC1 ZINC000088417304 179596318 /nfs/dbraw/zinc/59/63/18/179596318.db2.gz CDTAYMLXFFOEKI-SKDRFNHKSA-N 1 0 290.333 2.083 10 0 CEAERO CCC[NH2+]Cc1ccc(N(C)CCC(F)(F)F)nn1 ZINC000088437143 179601962 /nfs/dbraw/zinc/60/19/62/179601962.db2.gz DBRNZKPTVGNSEZ-UHFFFAOYSA-N 1 0 276.306 2.365 10 0 CEAERO Cn1ncnc1C[C@H]1CCCc2ccccc2[C@H]1[NH3+] ZINC000088580629 179628884 /nfs/dbraw/zinc/62/88/84/179628884.db2.gz WTPFUTRWEOUFAQ-DOMZBBRYSA-N 1 0 256.353 2.010 10 0 CEAERO CCC[NH2+][C@H](Cc1ncnn1C)c1cccc(F)c1 ZINC000088581656 179629212 /nfs/dbraw/zinc/62/92/12/179629212.db2.gz DPRHAIHFRGJBLJ-CYBMUJFWSA-N 1 0 262.332 2.238 10 0 CEAERO CC[NH2+][C@@H](C)C1CCN(Cc2ncnn2C(C)C)CC1 ZINC000088584807 179630751 /nfs/dbraw/zinc/63/07/51/179630751.db2.gz XCVLVJBTAOYFQG-ZDUSSCGKSA-N 1 0 279.432 2.069 10 0 CEAERO COc1ccc(C[C@@H]([NH3+])Cc2ncnn2CC(C)C)cc1 ZINC000088610981 179638024 /nfs/dbraw/zinc/63/80/24/179638024.db2.gz RFZMFKDLEWFPLZ-CQSZACIVSA-N 1 0 288.395 2.055 10 0 CEAERO C[NH2+][C@H](Cc1ncnn1CC(C)C)[C@H]1Cc2ccccc21 ZINC000088612642 179639249 /nfs/dbraw/zinc/63/92/49/179639249.db2.gz URIDTYUQBFUBRA-JKSUJKDBSA-N 1 0 284.407 2.405 10 0 CEAERO CC[C@@H](C)SC[C@H]([NH3+])Cc1ncnn1CC(C)C ZINC000088612819 179639711 /nfs/dbraw/zinc/63/97/11/179639711.db2.gz IWHFKFGEOCMFKF-VXGBXAGGSA-N 1 0 270.446 2.336 10 0 CEAERO CCCn1ncnc1C[C@@H](C[NH3+])Cc1ccc(F)cc1 ZINC000088619930 179640510 /nfs/dbraw/zinc/64/05/10/179640510.db2.gz QUKWNRCWTSPQMP-ZDUSSCGKSA-N 1 0 276.359 2.187 10 0 CEAERO CC[C@]1(C)C[NH2+][C@@H](C(C)C)CN1Cc1ncnn1C(C)C ZINC000088625213 179642392 /nfs/dbraw/zinc/64/23/92/179642392.db2.gz JYWJFMBDMSEBFS-GDBMZVCRSA-N 1 0 293.459 2.458 10 0 CEAERO C[NH2+]CCN(C)C(=O)c1sc2cccc(Cl)c2c1N ZINC000088644665 179647119 /nfs/dbraw/zinc/64/71/19/179647119.db2.gz CVUADFAXVDMBMJ-UHFFFAOYSA-N 1 0 297.811 2.428 10 0 CEAERO CN1C(=O)C[C@H]([NH2+][C@H]2CCC(C)(C)c3ccccc32)C1=O ZINC000088774307 179671007 /nfs/dbraw/zinc/67/10/07/179671007.db2.gz QUAMEQYVWITZSG-KBPBESRZSA-N 1 0 286.375 2.146 10 0 CEAERO CC[NH2+]C[C@H]1CCCN1Cc1ccncc1Cl ZINC000088781838 179671643 /nfs/dbraw/zinc/67/16/43/179671643.db2.gz PHTZAYHUEQDLFU-GFCCVEGCSA-N 1 0 253.777 2.309 10 0 CEAERO CC(C)[C@@H]1CN(Cc2ccncc2Cl)CC[NH2+]1 ZINC000088791233 179672275 /nfs/dbraw/zinc/67/22/75/179672275.db2.gz PDJFIVQLGPOMPC-ZDUSSCGKSA-N 1 0 253.777 2.165 10 0 CEAERO [NH3+]CCCc1nnc(-c2ccc3nccnc3c2)s1 ZINC000088809415 179675782 /nfs/dbraw/zinc/67/57/82/179675782.db2.gz ICZIIXLKDRYPAM-UHFFFAOYSA-N 1 0 271.349 2.040 10 0 CEAERO CC[NH2+][C@@H](Cn1nc(CC)nc1CC)C(C)(C)C ZINC000088740815 179662284 /nfs/dbraw/zinc/66/22/84/179662284.db2.gz HVFARIXUIMYOCW-NSHDSACASA-N 1 0 252.406 2.427 10 0 CEAERO CC(C)[NH2+]C[C@H](C)S(=O)(=O)N(C)C1CCC(C)CC1 ZINC000088993887 179690240 /nfs/dbraw/zinc/69/02/40/179690240.db2.gz CQKWDSJLJNAEGT-MOKVOYLWSA-N 1 0 290.473 2.213 10 0 CEAERO CCC1CCC(N(C)S(=O)(=O)CCCC[NH2+]C)CC1 ZINC000088996637 179690969 /nfs/dbraw/zinc/69/09/69/179690969.db2.gz BGYHCNBMYNVMOR-UHFFFAOYSA-N 1 0 290.473 2.216 10 0 CEAERO CC(C)[C@H]1CN(CCOC(F)(F)F)C(C)(C)C[NH2+]1 ZINC000089056982 179694836 /nfs/dbraw/zinc/69/48/36/179694836.db2.gz RHHZBOXYWMVIMH-SNVBAGLBSA-N 1 0 268.323 2.231 10 0 CEAERO Cc1oc(C)c(C(=O)N(C)[C@H]2CCC[C@H]2C[NH3+])c1C ZINC000089110453 179705188 /nfs/dbraw/zinc/70/51/88/179705188.db2.gz QKCWMCROHQLCBF-STQMWFEESA-N 1 0 264.369 2.404 10 0 CEAERO CN(C(=O)CC1=CCCCC1)[C@H]1CCC[C@H]1C[NH3+] ZINC000089110849 179705851 /nfs/dbraw/zinc/70/58/51/179705851.db2.gz NTUCNSYLQMHLIO-KBPBESRZSA-N 1 0 250.386 2.463 10 0 CEAERO COc1ccc(NC(=O)N(C)[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089111352 179705906 /nfs/dbraw/zinc/70/59/06/179705906.db2.gz YUUNVCOXNFDBFF-RISCZKNCSA-N 1 0 277.368 2.286 10 0 CEAERO CN(C(=O)Cc1ccccc1Cl)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089110766 179705999 /nfs/dbraw/zinc/70/59/99/179705999.db2.gz HZAZUBCPQPVZSW-TZMCWYRMSA-N 1 0 280.799 2.468 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc2[nH]ccc2c1 ZINC000089091028 539688731 /nfs/dbraw/zinc/68/87/31/539688731.db2.gz YGDVTSSMSMZIBC-OCCSQVGLSA-N 1 0 257.337 2.025 10 0 CEAERO CCOCCN(CC)c1ccc(CC[NH3+])c(C)c1 ZINC000104256233 185945607 /nfs/dbraw/zinc/94/56/07/185945607.db2.gz KALQXHHFGGVCPE-UHFFFAOYSA-N 1 0 250.386 2.359 10 0 CEAERO CCN(C(=O)c1ccc2c(c1)OCO2)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089114493 179708943 /nfs/dbraw/zinc/70/89/43/179708943.db2.gz BLQJDCGMJGRIOK-OLZOCXBDSA-N 1 0 290.363 2.005 10 0 CEAERO C[NH2+][C@H](Cc1nn(C)c2ccccc12)C[C@@H]1CCCO1 ZINC000089177455 179742650 /nfs/dbraw/zinc/74/26/50/179742650.db2.gz XXOVLEUTMXFDBV-STQMWFEESA-N 1 0 273.380 2.273 10 0 CEAERO C[C@H]1C[NH2+]C(C)(C)CN1Cc1nn(C)c2ccccc12 ZINC000089180308 179744081 /nfs/dbraw/zinc/74/40/81/179744081.db2.gz YVPPNVIUAOQTDK-LBPRGKRZSA-N 1 0 272.396 2.146 10 0 CEAERO CC[NH2+][C@H](C)[C@H]1CCCCN1Cc1cc(CC)nn1C ZINC000089180668 179744821 /nfs/dbraw/zinc/74/48/21/179744821.db2.gz BQWCUJGUCIVFLI-CZUORRHYSA-N 1 0 278.444 2.335 10 0 CEAERO O[C@]12CCCC[C@@H]1C[N@H+](CC[C@@H]1CCOC1)CC2 ZINC000400614677 233179017 /nfs/dbraw/zinc/17/90/17/233179017.db2.gz JYRKJRZOWLMVMG-KFWWJZLASA-N 1 0 253.386 2.040 10 0 CEAERO CS(=O)(=O)c1ccc(Nc2cccc(C[NH3+])c2)cc1 ZINC000104306844 185961476 /nfs/dbraw/zinc/96/14/76/185961476.db2.gz BBCAITAALAFDLB-UHFFFAOYSA-N 1 0 276.361 2.292 10 0 CEAERO C[C@H]1C[C@@H](O)C[N@H+](CCCOc2ccc(F)cc2)C1 ZINC000401522380 233183296 /nfs/dbraw/zinc/18/32/96/233183296.db2.gz CTSGBHSBJYBHRA-GXTWGEPZSA-N 1 0 267.344 2.297 10 0 CEAERO CCCOC[C@@H](Cc1cc(CC)nn1CC)[NH2+]CC ZINC000089193923 179749897 /nfs/dbraw/zinc/74/98/97/179749897.db2.gz BEVVKMAPUOHONT-CQSZACIVSA-N 1 0 267.417 2.413 10 0 CEAERO Cc1ccc(C(=O)CC[N@@H+]2C[C@H](C)C[C@@H](O)C2)cc1 ZINC000401917449 233186335 /nfs/dbraw/zinc/18/63/35/233186335.db2.gz UXGAMHPFCBAPOG-UKRRQHHQSA-N 1 0 261.365 2.271 10 0 CEAERO CCC[NH2+][C@@H](CCCOC)Cc1cc(CC)nn1C ZINC000089198625 179751860 /nfs/dbraw/zinc/75/18/60/179751860.db2.gz NYNQNNGPVWKSDL-AWEZNQCLSA-N 1 0 267.417 2.320 10 0 CEAERO CCOc1cc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])ccc1OC ZINC000089454046 539716777 /nfs/dbraw/zinc/71/67/77/539716777.db2.gz QZSYHFFQGWITDU-WCQYABFASA-N 1 0 292.379 2.407 10 0 CEAERO CCC[C@H]1CN(Cc2cc(C)nn2C)[C@H](C2CC2)C[NH2+]1 ZINC000089209128 179754565 /nfs/dbraw/zinc/75/45/65/179754565.db2.gz NBJXEVYMWSSWFS-HOCLYGCPSA-N 1 0 276.428 2.081 10 0 CEAERO CCc1cc(CN2C[C@H](C(C)C)[NH2+]C[C@@H]2C(C)C)n(C)n1 ZINC000089209216 179754811 /nfs/dbraw/zinc/75/48/11/179754811.db2.gz BAVNVRWDSAAZMB-IAGOWNOFSA-N 1 0 292.471 2.437 10 0 CEAERO Cc1cc(CN2CC[NH2+][C@@H](C3CCCCC3)C2)n(C)n1 ZINC000089208542 179754854 /nfs/dbraw/zinc/75/48/54/179754854.db2.gz RZCVMQYJGXLCPB-MRXNPFEDSA-N 1 0 276.428 2.083 10 0 CEAERO CC[C@H](C)[C@H]1CN(Cc2cc(C)nn2C)C(C)(C)C[NH2+]1 ZINC000089210334 179755039 /nfs/dbraw/zinc/75/50/39/179755039.db2.gz ZWESBHSXZUTRTF-SWLSCSKDSA-N 1 0 278.444 2.327 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCCc1c[nH]c2ccccc12 ZINC000089459975 539718545 /nfs/dbraw/zinc/71/85/45/539718545.db2.gz YTMCQRPTNQEHQQ-IUODEOHRSA-N 1 0 285.391 2.202 10 0 CEAERO C[C@H](COCc1ccccc1)N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400321127 233176213 /nfs/dbraw/zinc/17/62/13/233176213.db2.gz BVJDZWLWTFYRHZ-IJEWVQPXSA-N 1 0 262.397 2.322 10 0 CEAERO CC[C@H](NC(=O)[C@H]1CCC[C@@H]1C[NH3+])c1nccs1 ZINC000089463149 539718953 /nfs/dbraw/zinc/71/89/53/539718953.db2.gz GTTOKEDHERBTRA-VWYCJHECSA-N 1 0 267.398 2.085 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1nc(C2CC2)cs1 ZINC000089460520 539718967 /nfs/dbraw/zinc/71/89/67/539718967.db2.gz IYNRQWCKRLMKGS-VHSXEESVSA-N 1 0 265.382 2.334 10 0 CEAERO CCc1nn(C)c(CN2CC[NH2+]CC23CCCC3)c1Cl ZINC000089346141 179771318 /nfs/dbraw/zinc/77/13/18/179771318.db2.gz GCPQDMOTMOHBPV-UHFFFAOYSA-N 1 0 296.846 2.354 10 0 CEAERO CCc1nn(CC)c(C[C@@H]([NH3+])CCOC)c1Cl ZINC000089359287 179772221 /nfs/dbraw/zinc/77/22/21/179772221.db2.gz JAFQMYRYUUWXDS-VIFPVBQESA-N 1 0 259.781 2.025 10 0 CEAERO Cc1nc(CN2C[C@@H](C3CC3)[NH2+]CC[C@@H]2C)cs1 ZINC000089271518 179763146 /nfs/dbraw/zinc/76/31/46/179763146.db2.gz CRXBXLXLBNQZHW-HZMBPMFUSA-N 1 0 265.426 2.414 10 0 CEAERO CCn1nc(C)c(Cl)c1CN1C[C@H](C)[NH2+]C[C@@H]1C ZINC000089282099 179764825 /nfs/dbraw/zinc/76/48/25/179764825.db2.gz QOMJQNHVRUCRKW-UWVGGRQHSA-N 1 0 270.808 2.047 10 0 CEAERO CCCOC[C@H](Cc1c(Cl)c(C)nn1CC)[NH2+]C ZINC000089295970 179766510 /nfs/dbraw/zinc/76/65/10/179766510.db2.gz AOLYTLXGBYACDW-NSHDSACASA-N 1 0 273.808 2.422 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)OCO2 ZINC000089387142 179778265 /nfs/dbraw/zinc/77/82/65/179778265.db2.gz JHRONOIBTBYAAY-PWSUYJOCSA-N 1 0 276.336 2.119 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1cc(F)cc(F)c1F ZINC000089461756 179796824 /nfs/dbraw/zinc/79/68/24/179796824.db2.gz HSFKESZZODMHOB-APPZFPTMSA-N 1 0 272.270 2.417 10 0 CEAERO COCc1cccc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089451535 179792152 /nfs/dbraw/zinc/79/21/52/179792152.db2.gz WFZZKODCASJZQD-OCCSQVGLSA-N 1 0 262.353 2.147 10 0 CEAERO CC(=O)Nc1cc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])ccc1F ZINC000089454615 179793709 /nfs/dbraw/zinc/79/37/09/179793709.db2.gz SZDOFLHUMOJZJX-PWSUYJOCSA-N 1 0 293.342 2.098 10 0 CEAERO C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])[C@H](C)C1 ZINC000089462828 179796923 /nfs/dbraw/zinc/79/69/23/179796923.db2.gz ZREZKUZAFRVKDM-KSTCHIGDSA-N 1 0 252.402 2.302 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1cccc(F)c1 ZINC000089459604 179795293 /nfs/dbraw/zinc/79/52/93/179795293.db2.gz GQVOWYPPDYKRKS-MPKXVKKWSA-N 1 0 264.344 2.378 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCc1ccccc1OC(F)F ZINC000089460113 179795330 /nfs/dbraw/zinc/79/53/30/179795330.db2.gz IBOPIJASKYMFLU-ZYHUDNBSSA-N 1 0 298.333 2.279 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCCc2ccccc2C1 ZINC000089462190 179796359 /nfs/dbraw/zinc/79/63/59/179796359.db2.gz NVNKMDVBIDAVFE-GDBMZVCRSA-N 1 0 272.392 2.336 10 0 CEAERO COc1ccc(C)cc1C(=O)NC[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089531944 179811431 /nfs/dbraw/zinc/81/14/31/179811431.db2.gz KQCIBMUACZTVMX-KBPBESRZSA-N 1 0 290.407 2.499 10 0 CEAERO COc1cc([C@H](C)[NH2+]C[C@H]2CCC[C@@H]2CO)ccc1O ZINC000089494359 179803062 /nfs/dbraw/zinc/80/30/62/179803062.db2.gz JFZIDOMHOJOKMP-IACUBPJLSA-N 1 0 279.380 2.460 10 0 CEAERO OC[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000089495807 179803681 /nfs/dbraw/zinc/80/36/81/179803681.db2.gz FPPJKFARVHEPOK-GJZGRUSLSA-N 1 0 291.391 2.346 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1CNC(=O)c1ccc(F)cc1F ZINC000089500613 179804966 /nfs/dbraw/zinc/80/49/66/179804966.db2.gz WHQVGKFYDZWRDO-VHSXEESVSA-N 1 0 268.307 2.070 10 0 CEAERO Cc1ccc(C(=O)NC[C@@H]2CCC[C@@H]2C[NH3+])c(C)c1 ZINC000089500558 179805110 /nfs/dbraw/zinc/80/51/10/179805110.db2.gz IYMPKXRNSHBGCQ-KGLIPLIRSA-N 1 0 260.381 2.408 10 0 CEAERO COc1ccccc1NC(=O)NC[C@@H]1CCC[C@H]1C[NH3+] ZINC000089500868 179805542 /nfs/dbraw/zinc/80/55/42/179805542.db2.gz FCQRHNYCCOZPRK-RYUDHWBXSA-N 1 0 277.368 2.192 10 0 CEAERO CCN(C(=O)C[C@@H]1CC[NH2+]C1)[C@H](C)c1cccc(O)c1 ZINC000089745628 179858457 /nfs/dbraw/zinc/85/84/57/179858457.db2.gz VICWQPWRBWJLCR-OLZOCXBDSA-N 1 0 276.380 2.301 10 0 CEAERO CCN(C(=O)Cc1ccccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000104331934 185973037 /nfs/dbraw/zinc/97/30/37/185973037.db2.gz JEZKBRDWSBQIFE-ZDUSSCGKSA-N 1 0 280.799 2.483 10 0 CEAERO Cc1ccsc1[C@H](SCCS(C)(=O)=O)[C@H](C)[NH3+] ZINC000104337216 185974235 /nfs/dbraw/zinc/97/42/35/185974235.db2.gz IIYYAFJTMNNDJG-GXSJLCMTSA-N 1 0 293.479 2.223 10 0 CEAERO CC[NH2+]CCn1nnnc1SCc1cc(C)cc(C)c1 ZINC000089686292 179846277 /nfs/dbraw/zinc/84/62/77/179846277.db2.gz DQMXEAAVMAOLHI-UHFFFAOYSA-N 1 0 291.424 2.192 10 0 CEAERO O=C(C[C@H]1CC[NH2+]C1)NC1CCC(C(F)(F)F)CC1 ZINC000089743060 539730405 /nfs/dbraw/zinc/73/04/05/539730405.db2.gz RKSLVBRVCYOIRD-KPPDAEKUSA-N 1 0 278.318 2.223 10 0 CEAERO CCCN(C(=O)Cc1ccccc1Cl)C1C[NH2+]C1 ZINC000090293110 179952274 /nfs/dbraw/zinc/95/22/74/179952274.db2.gz TVKSRGVEKXYTAW-UHFFFAOYSA-N 1 0 266.772 2.093 10 0 CEAERO CCCN(CC(=O)Nc1c(C)cccc1CC)C1C[NH2+]C1 ZINC000090293425 179952314 /nfs/dbraw/zinc/95/23/14/179952314.db2.gz PDXOSUATENOMPL-UHFFFAOYSA-N 1 0 289.423 2.180 10 0 CEAERO Cn1c(COC2CC[NH2+]CC2)nc2cc(Cl)ccc21 ZINC000104381088 185987112 /nfs/dbraw/zinc/98/71/12/185987112.db2.gz BWSODZZWNRNBSE-UHFFFAOYSA-N 1 0 279.771 2.495 10 0 CEAERO CCCN(C(=O)c1ccc(Br)cc1)C1C[NH2+]C1 ZINC000090293007 179951275 /nfs/dbraw/zinc/95/12/75/179951275.db2.gz UBRREZCLADFKKO-UHFFFAOYSA-N 1 0 297.196 2.273 10 0 CEAERO CCCOc1cccc(C(=O)N(CCC)C2C[NH2+]C2)c1 ZINC000090292818 179951365 /nfs/dbraw/zinc/95/13/65/179951365.db2.gz RDZAFKVEIOZUBV-UHFFFAOYSA-N 1 0 276.380 2.299 10 0 CEAERO COCc1cc(COc2c(C)cc(C[NH3+])cc2C)no1 ZINC000090254852 179941478 /nfs/dbraw/zinc/94/14/78/179941478.db2.gz MRYHBXIBCJBUDI-UHFFFAOYSA-N 1 0 276.336 2.476 10 0 CEAERO O=C(c1c(Cl)cccc1Cl)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090321325 179957732 /nfs/dbraw/zinc/95/77/32/179957732.db2.gz RKRWQSWBGVYRLR-IUCAKERBSA-N 1 0 285.174 2.285 10 0 CEAERO C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)Nc1ccc(Cl)cc1 ZINC000090325801 179958853 /nfs/dbraw/zinc/95/88/53/179958853.db2.gz KOZLHXAEQUTPAZ-BREBYQMCSA-N 1 0 279.771 2.412 10 0 CEAERO C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1Cc1csc(C(C)(C)C)n1 ZINC000090326980 179959640 /nfs/dbraw/zinc/95/96/40/179959640.db2.gz VVOZZJUVLAXUDK-WZRBSPASSA-N 1 0 279.453 2.480 10 0 CEAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)Cc1cccc(Cl)c1 ZINC000090330730 179962068 /nfs/dbraw/zinc/96/20/68/179962068.db2.gz QLKVAEIGQHJPJW-BPLDGKMQSA-N 1 0 292.810 2.339 10 0 CEAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)CC1=CCCCC1 ZINC000090331014 179962326 /nfs/dbraw/zinc/96/23/26/179962326.db2.gz CNDQFPLLXCLVFG-RBSFLKMASA-N 1 0 262.397 2.333 10 0 CEAERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)Nc1ccccc1 ZINC000090336658 179965539 /nfs/dbraw/zinc/96/55/39/179965539.db2.gz KLNPHJHYZFZDHH-DGCLKSJQSA-N 1 0 259.353 2.148 10 0 CEAERO COc1ccc(-c2noc(CSC[C@@H](C)[NH3+])n2)cc1 ZINC000090343693 179969478 /nfs/dbraw/zinc/96/94/78/179969478.db2.gz HMWGVFAIPKRRGO-SECBINFHSA-N 1 0 279.365 2.326 10 0 CEAERO COc1cc(C[NH2+]C2CC(CO)C2)ccc1Cl ZINC000623575146 350055198 /nfs/dbraw/zinc/05/51/98/350055198.db2.gz MTLPTYFKQDWDEQ-UHFFFAOYSA-N 1 0 255.745 2.209 10 0 CEAERO OCC1CC([NH2+]Cc2c(F)ccc(F)c2Cl)C1 ZINC000623575298 350056106 /nfs/dbraw/zinc/05/61/06/350056106.db2.gz UUTIMFXGSZSAJE-UHFFFAOYSA-N 1 0 261.699 2.479 10 0 CEAERO CCC[C@@H](C[NH2+]Cc1c(C)nn(C)c1OC)OCC ZINC000623598266 350060688 /nfs/dbraw/zinc/06/06/88/350060688.db2.gz WYNQUTLIAANQQA-LBPRGKRZSA-N 1 0 269.389 2.032 10 0 CEAERO CC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000090491672 179991997 /nfs/dbraw/zinc/99/19/97/179991997.db2.gz DMOYKMAXQSBNDP-NXEZZACHSA-N 1 0 297.424 2.004 10 0 CEAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1cccc(Cl)c1Cl ZINC000623764750 350106531 /nfs/dbraw/zinc/10/65/31/350106531.db2.gz JKVNCWHZMNWVMR-QWRGUYRKSA-N 1 0 276.163 2.233 10 0 CEAERO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCOC[C@@H]1O ZINC000623767206 350107305 /nfs/dbraw/zinc/10/73/05/350107305.db2.gz RXPANMCXSIPCQG-HONMWMINSA-N 1 0 269.772 2.010 10 0 CEAERO CC[NH2+][C@H]1CCN(c2c(C)cccc2Cl)C1=O ZINC000090534178 179999805 /nfs/dbraw/zinc/99/98/05/179999805.db2.gz KFWJTBONECHZKS-NSHDSACASA-N 1 0 252.745 2.363 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N(C)C1CCCCCC1 ZINC000090540660 180000123 /nfs/dbraw/zinc/00/01/23/180000123.db2.gz JHBQTPGDHAJURK-LSDHHAIUSA-N 1 0 282.428 2.182 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)N(CC(C)C)CC(C)C ZINC000090540593 180000223 /nfs/dbraw/zinc/00/02/23/180000223.db2.gz GGRZTULECJAGPH-CABCVRRESA-N 1 0 284.444 2.142 10 0 CEAERO CCCCC[C@H](C)NC(=O)[C@@H]1COC[C@@H]1[NH2+]CCC ZINC000090540494 180000335 /nfs/dbraw/zinc/00/03/35/180000335.db2.gz PZNJWGLRFKQWLD-MJBXVCDLSA-N 1 0 270.417 2.086 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1cccc(SC)c1 ZINC000090538460 180000549 /nfs/dbraw/zinc/00/05/49/180000549.db2.gz OKOSLNSBWDHEKK-KBPBESRZSA-N 1 0 294.420 2.362 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N1CCC[C@@H]1C1CCCC1 ZINC000090544286 180000973 /nfs/dbraw/zinc/00/09/73/180000973.db2.gz BQTUDCDFTXBRSC-ARFHVFGLSA-N 1 0 294.439 2.182 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)NC(CC)(CC)CC ZINC000090546260 180001183 /nfs/dbraw/zinc/00/11/83/180001183.db2.gz SQUALEMWBWUANL-QWHCGFSZSA-N 1 0 270.417 2.086 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc(F)c(C)c1 ZINC000090544865 180001294 /nfs/dbraw/zinc/00/12/94/180001294.db2.gz QTAZXLRTYQWDIG-OCCSQVGLSA-N 1 0 280.343 2.087 10 0 CEAERO O=C(CSCC1C[NH2+]C1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000090712851 180028723 /nfs/dbraw/zinc/02/87/23/180028723.db2.gz HRBVBDAVNFMQEK-KBPBESRZSA-N 1 0 282.453 2.120 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1CN(C)Cc1ccccc1F ZINC000090566296 180005447 /nfs/dbraw/zinc/00/54/47/180005447.db2.gz BJSGUERSZVPIPD-GOEBONIOSA-N 1 0 280.387 2.272 10 0 CEAERO CC1(CNC(=O)Cc2ccc(C[NH3+])cc2)CCCC1 ZINC000104434971 186001604 /nfs/dbraw/zinc/00/16/04/186001604.db2.gz AYDUBWQGMFBCNI-UHFFFAOYSA-N 1 0 260.381 2.384 10 0 CEAERO CC(C)c1ccc(CN(C)C(=O)[C@]2(C)COC[C@@H]2[NH3+])cc1 ZINC000090591461 180009953 /nfs/dbraw/zinc/00/99/53/180009953.db2.gz WIYOZWIGCBBCBK-DOTOQJQBSA-N 1 0 290.407 2.132 10 0 CEAERO CCOc1ccc(Cl)cc1NC(=O)[C@]1(C)COC[C@H]1[NH3+] ZINC000090590097 180010350 /nfs/dbraw/zinc/01/03/50/180010350.db2.gz QNAHQVUNWSKIJK-TZMCWYRMSA-N 1 0 298.770 2.041 10 0 CEAERO CC(C)c1ccc(CN(C)C(=O)[C@@]2(C)COC[C@H]2[NH3+])cc1 ZINC000090591469 180010640 /nfs/dbraw/zinc/01/06/40/180010640.db2.gz WIYOZWIGCBBCBK-WBVHZDCISA-N 1 0 290.407 2.132 10 0 CEAERO C[C@@]1(C(=O)Nc2c(Cl)cccc2Cl)COC[C@H]1[NH3+] ZINC000090605896 180011275 /nfs/dbraw/zinc/01/12/75/180011275.db2.gz MAQSWXOEALFRCG-BXKDBHETSA-N 1 0 289.162 2.296 10 0 CEAERO CC[NH2+][C@@H]1C(=O)Nc2cc(SCCCOC)ccc21 ZINC000104439401 186002378 /nfs/dbraw/zinc/00/23/78/186002378.db2.gz RNOFTQYNZDTMPG-ZDUSSCGKSA-N 1 0 280.393 2.418 10 0 CEAERO Cc1nnc(Sc2cccc(Cl)c2CC[NH3+])[nH]1 ZINC000104438568 186002395 /nfs/dbraw/zinc/00/23/95/186002395.db2.gz XUKATYXSOVQMEP-UHFFFAOYSA-N 1 0 268.773 2.419 10 0 CEAERO COc1cccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1F ZINC000090622685 180015269 /nfs/dbraw/zinc/01/52/69/180015269.db2.gz HTVGQOXPYLCPRF-VXGBXAGGSA-N 1 0 292.354 2.143 10 0 CEAERO CCC(CC)C[N@H+](CC)[C@H](CN)CC(OC)OC ZINC000090625162 180015933 /nfs/dbraw/zinc/01/59/33/180015933.db2.gz NLQPKWHTNXLFPQ-ZDUSSCGKSA-N 1 0 260.422 2.081 10 0 CEAERO C[C@@H](O[C@@H](C)C(F)(F)F)C(=O)Nc1ccccc1C[NH3+] ZINC000090671987 180020941 /nfs/dbraw/zinc/02/09/41/180020941.db2.gz HBKHWLYFJXOWQO-BDAKNGLRSA-N 1 0 290.285 2.440 10 0 CEAERO COC(=O)[C@@](C)([NH3+])CCCCO[C@@H](C)C(F)(F)F ZINC000090674504 180021401 /nfs/dbraw/zinc/02/14/01/180021401.db2.gz VXCCSZGWNHQKTJ-WPRPVWTQSA-N 1 0 271.279 2.015 10 0 CEAERO C[C@@H](Oc1ccc(C[NH2+]C2CC2)nn1)C(F)(F)F ZINC000090675409 180022160 /nfs/dbraw/zinc/02/21/60/180022160.db2.gz VTMPJAXSBBFVGP-SSDOTTSWSA-N 1 0 261.247 2.058 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)CCCO[C@@H](C)C(F)(F)F ZINC000090675962 180022362 /nfs/dbraw/zinc/02/23/62/180022362.db2.gz KTZVZQOQAALGOW-QWRGUYRKSA-N 1 0 271.323 2.483 10 0 CEAERO O=C(CN1CCC[C@H]1[C@@H]1CCC[NH2+]C1)Nc1ccccc1 ZINC000090693967 180026175 /nfs/dbraw/zinc/02/61/75/180026175.db2.gz YLFUQHISAIMBTL-ZBFHGGJFSA-N 1 0 287.407 2.089 10 0 CEAERO CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CN(CC)CCO2)C1 ZINC000090715105 180029254 /nfs/dbraw/zinc/02/92/54/180029254.db2.gz BRCRJDLUDILMRK-RBSFLKMASA-N 1 0 254.418 2.266 10 0 CEAERO O=C(C1CCC1)N1CCCSC[C@@H]1C[NH+]1CCCC1 ZINC000090700855 180027887 /nfs/dbraw/zinc/02/78/87/180027887.db2.gz OMYCAXBLTFZEMX-AWEZNQCLSA-N 1 0 282.453 2.216 10 0 CEAERO COC(=O)C1(C[C@@H]2CO2)CC[NH+](Cc2ccccc2)CC1 ZINC000669372395 539753367 /nfs/dbraw/zinc/75/33/67/539753367.db2.gz QVUBAYBJSSEQDI-OAHLLOKOSA-N 1 0 289.375 2.231 10 0 CEAERO COC[C@H]([NH2+]C[C@H]1CCCN1CC(C)C)C1CC1 ZINC000090773182 180039035 /nfs/dbraw/zinc/03/90/35/180039035.db2.gz RPUHZBBEXQRFPI-CABCVRRESA-N 1 0 254.418 2.121 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@H]1CNc1ncncc1Br ZINC000090783223 180039213 /nfs/dbraw/zinc/03/92/13/180039213.db2.gz BVTMGLRZDRVTKW-ZJUUUORDSA-N 1 0 299.216 2.416 10 0 CEAERO CCN(c1cc(OC)nc(C)n1)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000090787132 180040725 /nfs/dbraw/zinc/04/07/25/180040725.db2.gz ZLANVHSNLKFGCO-OLZOCXBDSA-N 1 0 278.400 2.137 10 0 CEAERO CCOc1cc(OC[C@H]2CCCC[C@@H]2C[NH3+])nc(C)n1 ZINC000090788107 180041407 /nfs/dbraw/zinc/04/14/07/180041407.db2.gz BQVOYJKPJVGACQ-CHWSQXEVSA-N 1 0 279.384 2.328 10 0 CEAERO CCOc1cc(O[C@@H]2CCCC[C@@H]2C[NH3+])nc(C)n1 ZINC000090788102 180041469 /nfs/dbraw/zinc/04/14/69/180041469.db2.gz CUGJLEYDYRWFGW-VXGBXAGGSA-N 1 0 265.357 2.080 10 0 CEAERO CCC[NH2+]C[C@@H]1CCCN1c1ncnc(OCC)c1C ZINC000090789877 180041830 /nfs/dbraw/zinc/04/18/30/180041830.db2.gz WFLASGBXDRPCPO-ZDUSSCGKSA-N 1 0 278.400 2.152 10 0 CEAERO CCCN([C@](C)(CC)C[NH3+])S(=O)(=O)CCC(C)C ZINC000104446788 186005392 /nfs/dbraw/zinc/00/53/92/186005392.db2.gz JVIRXQGOKHIKFP-CYBMUJFWSA-N 1 0 278.462 2.202 10 0 CEAERO CS(=O)(=O)c1cccc(O[C@@H]2C[C@@H]([NH3+])C23CCCC3)c1 ZINC000090862035 180046919 /nfs/dbraw/zinc/04/69/19/180046919.db2.gz NNMNUHKMARGFES-ZIAGYGMSSA-N 1 0 295.404 2.129 10 0 CEAERO CCC[NH2+][C@@H]1C[C@@H](O[C@@H]2CCOC2)C12CCCC2 ZINC000090864153 180048090 /nfs/dbraw/zinc/04/80/90/180048090.db2.gz YZMGSKVESQQUGZ-MGPQQGTHSA-N 1 0 253.386 2.493 10 0 CEAERO C[NH2+]Cc1cccc(S[C@H]2CCCCNC2=O)c1 ZINC000090870630 180049170 /nfs/dbraw/zinc/04/91/70/180049170.db2.gz NJFZEHFTNADLDT-ZDUSSCGKSA-N 1 0 264.394 2.167 10 0 CEAERO c1ccc2c(c1)C[C@H](C[NH2+]CCN1CCCCC1)O2 ZINC000090874452 180049617 /nfs/dbraw/zinc/04/96/17/180049617.db2.gz GFBBLVJXNDSTDI-OAHLLOKOSA-N 1 0 260.381 2.066 10 0 CEAERO CNC(=O)CSc1cccc(C[NH2+]C(C)(C)C)c1 ZINC000090872561 180049967 /nfs/dbraw/zinc/04/99/67/180049967.db2.gz BUQZYPTWAWYBTB-UHFFFAOYSA-N 1 0 266.410 2.413 10 0 CEAERO CCN1CCC[C@@H]1C[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000090874225 180050222 /nfs/dbraw/zinc/05/02/22/180050222.db2.gz LNKKTJFCHHSCHR-CABCVRRESA-N 1 0 260.381 2.064 10 0 CEAERO CC(C)C[C@@](C)(O)C[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000090874815 180051003 /nfs/dbraw/zinc/05/10/03/180051003.db2.gz BDCYUZXYPCAYLB-GOEBONIOSA-N 1 0 263.381 2.377 10 0 CEAERO C[C@H](Cn1cccn1)[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892338 180054094 /nfs/dbraw/zinc/05/40/94/180054094.db2.gz QJTTYBSAXFRLHM-RISCZKNCSA-N 1 0 275.327 2.004 10 0 CEAERO CN(CC[NH2+]C(C)(C)C)C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893533 180054975 /nfs/dbraw/zinc/05/49/75/180054975.db2.gz WHMQSVGFTPJZGC-AWEZNQCLSA-N 1 0 280.387 2.449 10 0 CEAERO CC(C)C[C@H]1CN(C[C@@H]2Cc3cc(F)ccc3O2)CC[NH2+]1 ZINC000090896106 180055918 /nfs/dbraw/zinc/05/59/18/180055918.db2.gz GDHQPRBOYMRDNW-HOTGVXAUSA-N 1 0 292.398 2.449 10 0 CEAERO Fc1ccc2c(c1)C[C@@H](CN1CC[NH2+]C3(CCCC3)C1)O2 ZINC000090896114 180056261 /nfs/dbraw/zinc/05/62/61/180056261.db2.gz HOYCCSSHCQKPHI-HNNXBMFYSA-N 1 0 290.382 2.347 10 0 CEAERO C[NH2+]Cc1cn(C[C@@H]2Cc3cc(F)ccc3O2)nc1C ZINC000090895593 180056316 /nfs/dbraw/zinc/05/63/16/180056316.db2.gz ZAQGCYWDXZSNKF-AWEZNQCLSA-N 1 0 275.327 2.054 10 0 CEAERO C[C@@H]([NH3+])c1nc(-c2nc3cccnc3n2C)cs1 ZINC000090934780 180067195 /nfs/dbraw/zinc/06/71/95/180067195.db2.gz NGCZJBLQOKIWJC-SSDOTTSWSA-N 1 0 259.338 2.112 10 0 CEAERO C[C@H]1CN(C[C@@H]2Cc3cc(F)ccc3O2)C(C)(C)C[NH2+]1 ZINC000090896160 180057271 /nfs/dbraw/zinc/05/72/71/180057271.db2.gz WPUXTDMEMXYLLP-FZMZJTMJSA-N 1 0 278.371 2.202 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[C@@]1(CO)CCC[NH2+]C1)O2 ZINC000090902817 180059657 /nfs/dbraw/zinc/05/96/57/180059657.db2.gz KMEGYWJDTGUPRH-ZBFHGGJFSA-N 1 0 261.365 2.051 10 0 CEAERO [NH3+]CC1(N2C[C@H]3CC[C@@H](C2)O3)CCCCCCC1 ZINC000090905704 180059868 /nfs/dbraw/zinc/05/98/68/180059868.db2.gz DIMADCQZBCLDRD-OKILXGFUSA-N 1 0 252.402 2.291 10 0 CEAERO CSc1ccc([C@@H](C[NH3+])N2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090905670 180060000 /nfs/dbraw/zinc/06/00/00/180060000.db2.gz FGBBFQABAWVNDF-VNHYZAJKSA-N 1 0 278.421 2.272 10 0 CEAERO Clc1ccc2c(c1)C[C@H](C[NH2+][C@H]1CCCOC1)O2 ZINC000090904803 180060304 /nfs/dbraw/zinc/06/03/04/180060304.db2.gz JDZFTCQNBAJKLA-QWHCGFSZSA-N 1 0 267.756 2.412 10 0 CEAERO Cc1ccc([C@H]([NH3+])CN2C[C@H]3CC[C@@H](C2)O3)c(C)c1 ZINC000090906131 180060745 /nfs/dbraw/zinc/06/07/45/180060745.db2.gz WTCMYOBHBPCDEN-IJEWVQPXSA-N 1 0 260.381 2.166 10 0 CEAERO Cc1ccccc1[C@H](O)CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907682 180061654 /nfs/dbraw/zinc/06/16/54/180061654.db2.gz VONMJYNPOKRBQV-IJEWVQPXSA-N 1 0 261.365 2.282 10 0 CEAERO CCc1nc(N2C[C@H]3CC[C@@H](C2)O3)sc1C[NH2+]C1CC1 ZINC000090908178 180061819 /nfs/dbraw/zinc/06/18/19/180061819.db2.gz DYMSAAGXISLJFA-TXEJJXNPSA-N 1 0 293.436 2.325 10 0 CEAERO CC[NH2+]C[C@@](C)(CN1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000090907499 180062407 /nfs/dbraw/zinc/06/24/07/180062407.db2.gz KHJVKBXZFSPENQ-KSZLIROESA-N 1 0 288.435 2.417 10 0 CEAERO CCN(Cc1csc([C@@H](C)[NH3+])n1)[C@@H](C)COC ZINC000090958357 180074635 /nfs/dbraw/zinc/07/46/35/180074635.db2.gz OZILYAALCVXTTM-VHSXEESVSA-N 1 0 257.403 2.020 10 0 CEAERO Cc1ncsc1CN(C)Cc1csc(CC[NH3+])n1 ZINC000090958695 180074862 /nfs/dbraw/zinc/07/48/62/180074862.db2.gz NTTJKZHKTBBEJV-UHFFFAOYSA-N 1 0 282.438 2.041 10 0 CEAERO COC[C@@H](C)C[NH2+]Cc1sccc1NC(C)=O ZINC000090960542 180075233 /nfs/dbraw/zinc/07/52/33/180075233.db2.gz BHWFZAITGCAPAD-VIFPVBQESA-N 1 0 256.371 2.079 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000090959279 180075748 /nfs/dbraw/zinc/07/57/48/180075748.db2.gz ZMLVYAPPQMXYFR-BXKDBHETSA-N 1 0 268.382 2.364 10 0 CEAERO CC(=O)Nc1ccccc1C[NH2+]C1(CO)CCCCC1 ZINC000090962566 180076968 /nfs/dbraw/zinc/07/69/68/180076968.db2.gz IXUKHBJKGAMTOW-UHFFFAOYSA-N 1 0 276.380 2.430 10 0 CEAERO c1cc(CNC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc2c1CCC2 ZINC000090984722 180080282 /nfs/dbraw/zinc/08/02/82/180080282.db2.gz NIAZSDOVHRXLNL-QZTJIDSGSA-N 1 0 286.419 2.128 10 0 CEAERO [NH3+]Cc1ccc(CC(=O)NC[C@@H]2Cc3ccccc32)cc1 ZINC000090992108 180081191 /nfs/dbraw/zinc/08/11/91/180081191.db2.gz DTDAUYMUUWAODA-INIZCTEOSA-N 1 0 280.371 2.144 10 0 CEAERO C[C@H]([NH2+]C[C@@H]1Cc2ccccc21)C(=O)N1CCCCC1 ZINC000090992203 180081370 /nfs/dbraw/zinc/08/13/70/180081370.db2.gz AFEHHQCCUZWPHD-ZFWWWQNUSA-N 1 0 272.392 2.317 10 0 CEAERO C[NH2+]Cc1cccn1CC(=O)Nc1cccc(C)c1 ZINC000090995823 180082818 /nfs/dbraw/zinc/08/28/18/180082818.db2.gz DOAHNRKPXMVGJQ-UHFFFAOYSA-N 1 0 257.337 2.155 10 0 CEAERO CC[NH2+]Cc1cccn1CC(=O)N1CCCCCC1 ZINC000090995909 180082939 /nfs/dbraw/zinc/08/29/39/180082939.db2.gz VRKLMJHEYJFTIK-UHFFFAOYSA-N 1 0 263.385 2.000 10 0 CEAERO CCN(CC)C(=O)Cn1cccc1C[NH2+]C(C)(C)C ZINC000091001678 180083309 /nfs/dbraw/zinc/08/33/09/180083309.db2.gz URWWXWFTDRSNBN-UHFFFAOYSA-N 1 0 265.401 2.245 10 0 CEAERO Cc1nn(CC(=O)NCC(C)C)c(C)c1C[NH2+]CC(C)C ZINC000091002265 180083836 /nfs/dbraw/zinc/08/38/36/180083836.db2.gz FDUXKJXBEUUVFS-UHFFFAOYSA-N 1 0 294.443 2.018 10 0 CEAERO COC(=O)CCCn1ccc(C[NH2+]CC(C)C)c1 ZINC000091004431 180083938 /nfs/dbraw/zinc/08/39/38/180083938.db2.gz KBQAPMZTEKWBAX-UHFFFAOYSA-N 1 0 252.358 2.187 10 0 CEAERO CN(C)C(=O)CCCn1ccc(C[NH2+]C(C)(C)C)c1 ZINC000091004309 180084191 /nfs/dbraw/zinc/08/41/91/180084191.db2.gz PDDBWXBQUHIPMN-UHFFFAOYSA-N 1 0 265.401 2.245 10 0 CEAERO CCOC(=O)CCCCCn1ccc(C[NH2+]CCOC)c1 ZINC000091004603 180084218 /nfs/dbraw/zinc/08/42/18/180084218.db2.gz GMJGMDKLOKRWJX-UHFFFAOYSA-N 1 0 296.411 2.348 10 0 CEAERO CC[C@@H]([NH3+])Cc1cn(Cc2ncnn2C)c2ccccc12 ZINC000091005194 180084487 /nfs/dbraw/zinc/08/44/87/180084487.db2.gz JDFKONRDPBXBLT-CYBMUJFWSA-N 1 0 283.379 2.098 10 0 CEAERO CCc1cc(Cn2cccc2C[C@H](C)[NH3+])n(CC)n1 ZINC000091005492 180084533 /nfs/dbraw/zinc/08/45/33/180084533.db2.gz ZJGHAHWQFJUOHK-LBPRGKRZSA-N 1 0 260.385 2.205 10 0 CEAERO C[C@H]([NH3+])Cc1ccn(C[C@@H]2Cc3ccccc3O2)c1 ZINC000091006055 180084626 /nfs/dbraw/zinc/08/46/26/180084626.db2.gz ZSMMHPVYNIBRAE-WFASDCNBSA-N 1 0 256.349 2.382 10 0 CEAERO CC[C@H]([NH3+])Cc1ccn(Cc2cc(C)nn2CC)c1 ZINC000091006359 180084807 /nfs/dbraw/zinc/08/48/07/180084807.db2.gz GJIZHVMUXKTAIQ-AWEZNQCLSA-N 1 0 260.385 2.341 10 0 CEAERO CN(C)C[C@@H]([NH2+]Cc1ccn(C)c1)c1ccccc1 ZINC000091007236 180085606 /nfs/dbraw/zinc/08/56/06/180085606.db2.gz PHHKWLMJFNHBEF-MRXNPFEDSA-N 1 0 257.381 2.418 10 0 CEAERO CCn1ccc(C[NH2+][C@@H]2CCCc3c2cnn3C)c1 ZINC000091011504 180086106 /nfs/dbraw/zinc/08/61/06/180086106.db2.gz NNWLNKAGACZEQN-CQSZACIVSA-N 1 0 258.369 2.409 10 0 CEAERO O=Cc1cn(CC[NH+]2CCCCC2)c2ncccc12 ZINC000091017035 180086769 /nfs/dbraw/zinc/08/67/69/180086769.db2.gz OPDKTYNXVSRODX-UHFFFAOYSA-N 1 0 257.337 2.335 10 0 CEAERO CCn1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2CO)c1 ZINC000091016024 180086803 /nfs/dbraw/zinc/08/68/03/180086803.db2.gz OXSYWYGEOGACOS-HUUCEWRRSA-N 1 0 250.386 2.396 10 0 CEAERO CCC[NH2+]Cc1cn(CCCC(=O)NC)c2ncccc12 ZINC000091020286 180088230 /nfs/dbraw/zinc/08/82/30/180088230.db2.gz ACGOVWCINFTNEW-UHFFFAOYSA-N 1 0 288.395 2.062 10 0 CEAERO C[C@@H]([NH3+])[C@H]1CCCCN1Cc1c[nH]c2ncccc12 ZINC000091019570 180088276 /nfs/dbraw/zinc/08/82/76/180088276.db2.gz LUSGRWHVZLGFQK-BXUZGUMPSA-N 1 0 258.369 2.265 10 0 CEAERO [NH3+]CCc1cn(CCC[C@H]2CCCO2)c2ncccc12 ZINC000091021407 180088544 /nfs/dbraw/zinc/08/85/44/180088544.db2.gz QHTRFFDKFZQTTG-AWEZNQCLSA-N 1 0 273.380 2.497 10 0 CEAERO CCCn1cccc1C[NH2+][C@@H](C)C(=O)N(CC)CC ZINC000091024960 180089509 /nfs/dbraw/zinc/08/95/09/180089509.db2.gz CUCNINDAXWMZDG-ZDUSSCGKSA-N 1 0 265.401 2.245 10 0 CEAERO CCCCCCOC(=O)c1csc(CC[NH3+])n1 ZINC000090939801 180068170 /nfs/dbraw/zinc/06/81/70/180068170.db2.gz QJVALUJBHKOMJO-UHFFFAOYSA-N 1 0 256.371 2.381 10 0 CEAERO C[C@@H]1CCCC[C@@H]1OC(=O)c1csc(CC[NH3+])n1 ZINC000090939619 180068209 /nfs/dbraw/zinc/06/82/09/180068209.db2.gz NUCIOCCGCWUPBN-KOLCDFICSA-N 1 0 268.382 2.380 10 0 CEAERO [NH3+]CCc1nc(C(=O)NCCC2=CCCCC2)cs1 ZINC000090946878 180070376 /nfs/dbraw/zinc/07/03/76/180070376.db2.gz FIGGJOZJZUARIF-UHFFFAOYSA-N 1 0 279.409 2.265 10 0 CEAERO C[C@@H](OC(=O)C[C@H]1CSCC[NH2+]1)c1ccccc1 ZINC000091129961 180100815 /nfs/dbraw/zinc/10/08/15/180100815.db2.gz SRPBTGARHVJFKT-YPMHNXCESA-N 1 0 265.378 2.386 10 0 CEAERO CC(C)(C)NC(=O)C[C@H](C[NH3+])N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000091321036 180133373 /nfs/dbraw/zinc/13/33/73/180133373.db2.gz UACXHHFVAHJGEV-RRFJBIMHSA-N 1 0 295.471 2.131 10 0 CEAERO Cc1ccc(CN(C)[C@H](C[NH3+])CC(=O)NC(C)(C)C)cc1 ZINC000091320804 180133418 /nfs/dbraw/zinc/13/34/18/180133418.db2.gz WCVJYPPLJPKQBR-HNNXBMFYSA-N 1 0 291.439 2.059 10 0 CEAERO CCCNC(=O)C[C@H](C[NH3+])N(CC)c1cccc(C)c1 ZINC000091317149 180133878 /nfs/dbraw/zinc/13/38/78/180133878.db2.gz PWXTXWXPHSIPJA-OAHLLOKOSA-N 1 0 277.412 2.065 10 0 CEAERO CCN(CC)C(=O)C[C@@H](C[NH3+])N(CC)Cc1ccccc1 ZINC000091322618 180134600 /nfs/dbraw/zinc/13/46/00/180134600.db2.gz QZQHZOVADYZYAT-INIZCTEOSA-N 1 0 291.439 2.094 10 0 CEAERO NC[C@H](CC(=O)N1CCCCC1)[NH2+]C1CCCCCC1 ZINC000091325571 180135224 /nfs/dbraw/zinc/13/52/24/180135224.db2.gz UJKZSTYKZLZHQS-HNNXBMFYSA-N 1 0 281.444 2.029 10 0 CEAERO CCc1c(C[NH3+])cnn1CCCOc1ccccc1 ZINC000091338851 180136410 /nfs/dbraw/zinc/13/64/10/180136410.db2.gz BUBWYESQKQTCPQ-UHFFFAOYSA-N 1 0 259.353 2.373 10 0 CEAERO C[C@@H]([NH2+][C@@H](C)c1nc2ccccc2n1C)[C@H](C)CO ZINC000091345106 180136967 /nfs/dbraw/zinc/13/69/67/180136967.db2.gz SVBQBDQPUWMMHY-UTUOFQBUSA-N 1 0 261.369 2.241 10 0 CEAERO Cc1cc2nnc([C@@H]3CC[C@H]4CCCC[C@@H]4[NH2+]3)n2cn1 ZINC000091355293 180138923 /nfs/dbraw/zinc/13/89/23/180138923.db2.gz TUSIWTVMNQOXJM-AGIUHOORSA-N 1 0 271.368 2.416 10 0 CEAERO COCCc1noc([C@@H]2CC[C@H]3CCCC[C@@H]3[NH2+]2)n1 ZINC000091355397 180139058 /nfs/dbraw/zinc/13/90/58/180139058.db2.gz REPNCNRFVSRXIP-WOPDTQHZSA-N 1 0 265.357 2.242 10 0 CEAERO O=C(Nc1ccccn1)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000091358680 180140219 /nfs/dbraw/zinc/14/02/19/180140219.db2.gz QDNZLWRHNLEHFJ-AGIUHOORSA-N 1 0 259.353 2.331 10 0 CEAERO O=C(Nc1cccnc1)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091358701 180140600 /nfs/dbraw/zinc/14/06/00/180140600.db2.gz VEGBSDIXDWROMJ-UBHSHLNASA-N 1 0 259.353 2.331 10 0 CEAERO Cc1ncc(CNC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3[NH2+]2)s1 ZINC000091360584 180141021 /nfs/dbraw/zinc/14/10/21/180141021.db2.gz ROJCULVHOWYQMQ-XBFCOCLRSA-N 1 0 293.436 2.379 10 0 CEAERO O=C(Nc1ccc(F)cn1)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000091361758 180141631 /nfs/dbraw/zinc/14/16/31/180141631.db2.gz CITVFNOGRGKIMZ-WXHSDQCUSA-N 1 0 277.343 2.470 10 0 CEAERO CC1(C)COCCN1C[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091362473 180141643 /nfs/dbraw/zinc/14/16/43/180141643.db2.gz DSJZYYTZVBUYQT-KKUMJFAQSA-N 1 0 266.429 2.408 10 0 CEAERO C[C@H](CO)CS[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000091256618 180115362 /nfs/dbraw/zinc/11/53/62/180115362.db2.gz KDQWTUBQKGYGGM-PWSUYJOCSA-N 1 0 252.383 2.415 10 0 CEAERO Cc1nn(C)c(SC[C@H](C)CO)c1C[NH2+]CC(C)C ZINC000091259797 180115892 /nfs/dbraw/zinc/11/58/92/180115892.db2.gz DDGSZOUICIGFOK-LLVKDONJSA-N 1 0 285.457 2.195 10 0 CEAERO C[C@H](CCO)Sc1cc(C(N)=[NH2+])c2ccccc2n1 ZINC000091264000 180116411 /nfs/dbraw/zinc/11/64/11/180116411.db2.gz HXZGHHYODNXNGO-SECBINFHSA-N 1 0 275.377 2.382 10 0 CEAERO CC[C@H]([NH3+])[C@H](S[C@@H](C)CCO)c1ccccn1 ZINC000091262427 180116422 /nfs/dbraw/zinc/11/64/22/180116422.db2.gz YKUNONVZKPKGGO-GVXVVHGQSA-N 1 0 254.399 2.364 10 0 CEAERO CC(C)n1cncc1CN(C)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000091273116 180117677 /nfs/dbraw/zinc/11/76/77/180117677.db2.gz DHMQTTYPTJANSV-UKRRQHHQSA-N 1 0 264.417 2.413 10 0 CEAERO CC(C)n1cncc1CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000091272949 180118195 /nfs/dbraw/zinc/11/81/95/180118195.db2.gz XNROOVUIJLHGCD-PBWFPOADSA-N 1 0 262.401 2.179 10 0 CEAERO C[NH2+]Cc1ccc(OCc2cncn2C)c(Cl)c1 ZINC000091278388 180120850 /nfs/dbraw/zinc/12/08/50/180120850.db2.gz KKEAJWNICIEHAQ-UHFFFAOYSA-N 1 0 265.744 2.372 10 0 CEAERO CC(C)(C)c1csc(NC(=O)C[C@H]2CSCC[NH2+]2)n1 ZINC000091290499 180121938 /nfs/dbraw/zinc/12/19/38/180121938.db2.gz PDMVNZJKEDRFEJ-VIFPVBQESA-N 1 0 299.465 2.474 10 0 CEAERO CCN(C(=O)C[C@@H]1CSCC[NH2+]1)c1ccccc1F ZINC000091290816 180122006 /nfs/dbraw/zinc/12/20/06/180122006.db2.gz URBLRUSJCOLHAH-LLVKDONJSA-N 1 0 282.384 2.274 10 0 CEAERO O=C(C[C@H]1CSCC[NH2+]1)N1CCC2(CCCC2)CC1 ZINC000091291285 180122848 /nfs/dbraw/zinc/12/28/48/180122848.db2.gz HYNKIEJGMFGKJH-ZDUSSCGKSA-N 1 0 282.453 2.264 10 0 CEAERO Cc1occc1CN(C)CC[C@@H]1CSCC[NH2+]1 ZINC000091292083 180123495 /nfs/dbraw/zinc/12/34/95/180123495.db2.gz HCSGFMCOTOKZJI-CYBMUJFWSA-N 1 0 254.399 2.115 10 0 CEAERO Fc1ccc2nc(C[C@@H]3C[NH2+]CCO3)n(C3CC3)c2c1 ZINC000091293357 180124265 /nfs/dbraw/zinc/12/42/65/180124265.db2.gz BLEPHXNBAMDYKA-GFCCVEGCSA-N 1 0 275.327 2.041 10 0 CEAERO O=C1N(Cc2ccc(Cl)cc2)CCN1C1CC[NH2+]CC1 ZINC000091500629 180174881 /nfs/dbraw/zinc/17/48/81/180174881.db2.gz JDLNVSBKDVERGP-UHFFFAOYSA-N 1 0 293.798 2.330 10 0 CEAERO Cc1nn(C)c(C[C@]2(C3CC3)CCC[NH2+]2)c1Cl ZINC000091445613 180157025 /nfs/dbraw/zinc/15/70/25/180157025.db2.gz NQBBOZVOLSNLDA-ZDUSSCGKSA-N 1 0 253.777 2.457 10 0 CEAERO CCCn1cc([C@@](C)(O)CC[NH2+]CC(C)C)cn1 ZINC000091503314 180175275 /nfs/dbraw/zinc/17/52/75/180175275.db2.gz AGTVHLYNXARDPK-AWEZNQCLSA-N 1 0 253.390 2.136 10 0 CEAERO [NH3+][C@H](CNC(=O)c1ccncc1Cl)c1ccccc1 ZINC000091456873 180160274 /nfs/dbraw/zinc/16/02/74/180160274.db2.gz IHXBCTMDLHJZEG-CYBMUJFWSA-N 1 0 275.739 2.165 10 0 CEAERO Cc1ccc([C@@H]([C@H](C)[NH3+])N(C)CC2CC(O)C2)s1 ZINC000091464606 180162834 /nfs/dbraw/zinc/16/28/34/180162834.db2.gz MHFSOJSAKGVLHN-DLOFLVKXSA-N 1 0 268.426 2.148 10 0 CEAERO Cc1cc([C@@H]2[C@H](C[NH3+])OCCN2C)ccc1Br ZINC000091475410 180165414 /nfs/dbraw/zinc/16/54/14/180165414.db2.gz UUOMLLGSUSSNFP-QWHCGFSZSA-N 1 0 299.212 2.088 10 0 CEAERO C[C@H]1CCC[C@@H](C[NH3+])N1C(=O)C1C(C)(C)C1(C)C ZINC000091492757 180170535 /nfs/dbraw/zinc/17/05/35/180170535.db2.gz ZBMJBUPZNAPYRH-QWRGUYRKSA-N 1 0 252.402 2.397 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)Nc1ccc(F)cc1 ZINC000091496761 180172770 /nfs/dbraw/zinc/17/27/70/180172770.db2.gz JPHGTWWFOPSAMR-JOYOIKCWSA-N 1 0 251.305 2.088 10 0 CEAERO CCC[NH2+][C@@H]([C@@H](C)c1ccccn1)C(C)(C)S(C)(=O)=O ZINC000091383449 180143727 /nfs/dbraw/zinc/14/37/27/180143727.db2.gz NIPQURVMXNWOKW-JSGCOSHPSA-N 1 0 298.452 2.377 10 0 CEAERO Cc1ccc(C[C@H]([NH3+])c2ccc3c(c2)OCO3)nc1 ZINC000091385168 180143842 /nfs/dbraw/zinc/14/38/42/180143842.db2.gz LKTDDWLAMHITGB-ZDUSSCGKSA-N 1 0 256.305 2.361 10 0 CEAERO CCc1ccc(C(=O)CN2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000091394021 180145363 /nfs/dbraw/zinc/14/53/63/180145363.db2.gz BISVEPBYJWXMBT-MRXNPFEDSA-N 1 0 274.408 2.458 10 0 CEAERO C[C@H]1CCC[C@](CNCc2cnco2)([NH+](C)C)C1 ZINC000091409165 180148188 /nfs/dbraw/zinc/14/81/88/180148188.db2.gz WYCMIPWJIFUOOB-JSGCOSHPSA-N 1 0 251.374 2.275 10 0 CEAERO C[C@H](NC(=O)C1C[NH2+]C1)c1cccc2ccccc21 ZINC000091411409 180149088 /nfs/dbraw/zinc/14/90/88/180149088.db2.gz GNGCPCBBYRHTKR-NSHDSACASA-N 1 0 254.333 2.236 10 0 CEAERO OC1CC(C[NH2+]Cc2ccccc2N2CCCC2)C1 ZINC000091415513 180149549 /nfs/dbraw/zinc/14/95/49/180149549.db2.gz YFPHAGGHJKUYEG-UHFFFAOYSA-N 1 0 260.381 2.147 10 0 CEAERO CC[NH2+]Cc1cncc(N(C)[C@@H](C)CC(C)C)n1 ZINC000091420765 180150491 /nfs/dbraw/zinc/15/04/91/180150491.db2.gz PGVWYXGRXJBVQN-LBPRGKRZSA-N 1 0 250.390 2.457 10 0 CEAERO CC[NH2+]Cc1cncc(N(CC(C)C)C(C)C)n1 ZINC000091420800 180150562 /nfs/dbraw/zinc/15/05/62/180150562.db2.gz XFAAXIZPHIOYMN-UHFFFAOYSA-N 1 0 250.390 2.457 10 0 CEAERO CCC[NH2+]Cc1cncc(N(C)CCC(F)(F)F)n1 ZINC000091422108 180151406 /nfs/dbraw/zinc/15/14/06/180151406.db2.gz ZEOWHIOBMYGUFZ-UHFFFAOYSA-N 1 0 276.306 2.365 10 0 CEAERO CC(C)c1nn(C)c(NCC[N@H+](C)C2CCCC2)c1N ZINC000091555423 180190265 /nfs/dbraw/zinc/19/02/65/180190265.db2.gz CAOAEJZDFIOFBD-UHFFFAOYSA-N 1 0 279.432 2.412 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)NC[C@H](C)[N@H+](C)C2CC2)o1 ZINC000105087029 186040800 /nfs/dbraw/zinc/04/08/00/186040800.db2.gz IADNSBCEAPFQJA-CMPLNLGQSA-N 1 0 279.384 2.431 10 0 CEAERO CC(C)([C@H](O)CCc1cccs1)[NH+]1CCOCC1 ZINC000091565703 180193496 /nfs/dbraw/zinc/19/34/96/180193496.db2.gz WZARVDQFGMTPCG-CYBMUJFWSA-N 1 0 269.410 2.152 10 0 CEAERO Cc1cccc([C@@H]([NH3+])C(C)(C)N2CCOCC2)c1C ZINC000091566310 180193938 /nfs/dbraw/zinc/19/39/38/180193938.db2.gz WJMOPKPZBLOFOJ-OAHLLOKOSA-N 1 0 262.397 2.414 10 0 CEAERO C[NH2+][C@H](c1csc(C)c1)C(C)(C)N1CCOCC1 ZINC000091566629 180194054 /nfs/dbraw/zinc/19/40/54/180194054.db2.gz ZIBUXXGFXNEHRG-CYBMUJFWSA-N 1 0 268.426 2.428 10 0 CEAERO CCn1cc(C[C@H](N)C(C)(C)[NH+]2CCCCCC2)cn1 ZINC000091567867 180194792 /nfs/dbraw/zinc/19/47/92/180194792.db2.gz BDRQSVHFLWRYJH-HNNXBMFYSA-N 1 0 278.444 2.427 10 0 CEAERO C[NH2+][C@@H](CCC[C@@H]1CCCO1)C(C)(C)N1CCOCC1 ZINC000091566725 180194862 /nfs/dbraw/zinc/19/48/62/180194862.db2.gz YVLYUOPTHQJZDQ-CABCVRRESA-N 1 0 284.444 2.035 10 0 CEAERO CC[C@@](C)([C@H](O)c1ccc(OC)cc1OC)[NH+](C)C ZINC000091569524 180195594 /nfs/dbraw/zinc/19/55/94/180195594.db2.gz SQAXSXGKWHNJHU-CABCVRRESA-N 1 0 267.369 2.468 10 0 CEAERO CCc1cc(C[C@@H](O)[C@](C)(CC)[NH+](C)C)n(CC)n1 ZINC000091569055 180195620 /nfs/dbraw/zinc/19/56/20/180195620.db2.gz VNCYUBHXZFLMJW-CABCVRRESA-N 1 0 267.417 2.099 10 0 CEAERO CC[C@@](C)([C@@H](O)c1cc(Cl)cnc1N)[NH+](C)C ZINC000091569126 180195689 /nfs/dbraw/zinc/19/56/89/180195689.db2.gz XWXSWJRSPBOZMS-JQWIXIFHSA-N 1 0 257.765 2.081 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@H](O)Cc1ncnn1C(C)C ZINC000091572888 180196431 /nfs/dbraw/zinc/19/64/31/180196431.db2.gz ALPMJFLRYRHQDC-HIFRSBDPSA-N 1 0 282.432 2.273 10 0 CEAERO CCN[C@H](c1nccn1CC)[C@@](C)(CC)[NH+](C)C ZINC000091571473 180196444 /nfs/dbraw/zinc/19/64/44/180196444.db2.gz LOPGYFKQMSQKKV-TZMCWYRMSA-N 1 0 252.406 2.284 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@H](O)Cc1ccnc(N)c1 ZINC000091572949 180196724 /nfs/dbraw/zinc/19/67/24/180196724.db2.gz UDXUWTCETQAENF-UKRRQHHQSA-N 1 0 265.401 2.078 10 0 CEAERO CCn1cc([C@H](N)[C@@](C)(CC)[NH+](CC)CC)cn1 ZINC000091574015 180197263 /nfs/dbraw/zinc/19/72/63/180197263.db2.gz VRONZBIXZIEZQN-UONOGXRCSA-N 1 0 252.406 2.413 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2c(N)c(C(C)C)nn2C)C1 ZINC000091581923 180199104 /nfs/dbraw/zinc/19/91/04/180199104.db2.gz KZXIOLGQHHTVAV-LLVKDONJSA-N 1 0 265.405 2.022 10 0 CEAERO CCN(CC)[C@@](C)(CC)[C@@H](Cc1cc(C)nn1C)[NH2+]C ZINC000091599670 180202195 /nfs/dbraw/zinc/20/21/95/180202195.db2.gz PIXHWFDFNFZTBS-CVEARBPZSA-N 1 0 280.460 2.370 10 0 CEAERO CC[NH2+][C@H](Cc1ncnn1CC)[C@](C)(CC)N1CCCC1 ZINC000091607581 180203774 /nfs/dbraw/zinc/20/37/74/180203774.db2.gz ITJHFITWVHKMQG-ZBFHGGJFSA-N 1 0 293.459 2.083 10 0 CEAERO CCN[C@@H](c1nccn1C)[C@](C)(CC)[NH+]1CCCC1 ZINC000091607255 180204145 /nfs/dbraw/zinc/20/41/45/180204145.db2.gz FHBWTIHSYMNWHJ-ZFWWWQNUSA-N 1 0 264.417 2.335 10 0 CEAERO CCN[C@@H](c1cnccn1)[C@@](C)(CC)[NH+]1CCCC1 ZINC000091607192 180204578 /nfs/dbraw/zinc/20/45/78/180204578.db2.gz SXCKZMOIHAGAKF-LSDHHAIUSA-N 1 0 262.401 2.392 10 0 CEAERO CC[C@@](C)([C@@H](Cc1ccnc(N)c1)[NH2+]C)N1CCCCC1 ZINC000091609641 180205365 /nfs/dbraw/zinc/20/53/65/180205365.db2.gz HHGHCIRONNKFGQ-WBVHZDCISA-N 1 0 290.455 2.449 10 0 CEAERO CC[C@@](C)([C@H](O)Cc1cccc(OC)c1)[NH+]1CCOCC1 ZINC000091611533 180206471 /nfs/dbraw/zinc/20/64/71/180206471.db2.gz SWCWFDUGNPURPL-SJORKVTESA-N 1 0 293.407 2.100 10 0 CEAERO CC[NH2+][C@H](CC1CC1)[C@@](C)(CC)N1CCOCC1 ZINC000091612902 180206929 /nfs/dbraw/zinc/20/69/29/180206929.db2.gz QLMGEYMYCLQNBY-HUUCEWRRSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@](C)([C@H]([NH3+])CCC[C@@H]1CCCO1)N1CCOCC1 ZINC000091612122 180207259 /nfs/dbraw/zinc/20/72/59/180207259.db2.gz KTIQCSNIRRBWSN-BZUAXINKSA-N 1 0 284.444 2.164 10 0 CEAERO CC[NH2+][C@@H](c1ccoc1)[C@@](C)(CC)N1CCOCC1 ZINC000091612984 180207490 /nfs/dbraw/zinc/20/74/90/180207490.db2.gz NMIIJGGWIZPIEL-LSDHHAIUSA-N 1 0 266.385 2.431 10 0 CEAERO CCC[NH2+][C@H](C1CCOCC1)[C@@](C)(CC)N1CCOCC1 ZINC000091613078 180207506 /nfs/dbraw/zinc/20/75/06/180207506.db2.gz SMURHIDRKBUDIZ-IAGOWNOFSA-N 1 0 298.471 2.282 10 0 CEAERO CCn1nccc1[C@@H]([NH2+]C)C(CC)(CC)N(C)C ZINC000091614276 180207891 /nfs/dbraw/zinc/20/78/91/180207891.db2.gz LTTRBXAWBICJRC-CYBMUJFWSA-N 1 0 252.406 2.284 10 0 CEAERO CCn1cc([C@@H]([NH2+]C)C(CC)(CC)N(C)C)cn1 ZINC000091614526 180207951 /nfs/dbraw/zinc/20/79/51/180207951.db2.gz DTYBLNIEMRHAKA-CYBMUJFWSA-N 1 0 252.406 2.284 10 0 CEAERO CC[NH+](CC)C[C@@H](O)CNc1cc(C)cc(F)c1 ZINC000091513737 180177107 /nfs/dbraw/zinc/17/71/07/180177107.db2.gz CFDCWHXMGSBKSC-AWEZNQCLSA-N 1 0 254.349 2.249 10 0 CEAERO CCCn1cc([C@@](C)(O)CC[NH2+]C(C)(C)C)cn1 ZINC000091520206 180178110 /nfs/dbraw/zinc/17/81/10/180178110.db2.gz MFADCMBIGKVVDM-AWEZNQCLSA-N 1 0 253.390 2.279 10 0 CEAERO Cc1nc(C[C@](C)(O)CC[NH2+]CC(C)C)cs1 ZINC000091523837 180178465 /nfs/dbraw/zinc/17/84/65/180178465.db2.gz UQHXOVZIVODQRC-CYBMUJFWSA-N 1 0 256.415 2.381 10 0 CEAERO CCC(CC)n1ccc(C[C@H](N)C(C)(C)[NH+](C)C)n1 ZINC000091528387 180180070 /nfs/dbraw/zinc/18/00/70/180180070.db2.gz LFFOSRVONHTMIE-AWEZNQCLSA-N 1 0 266.433 2.454 10 0 CEAERO C[NH2+][C@H](CCc1ccc2c(c1)CCO2)C(C)(C)N(C)C ZINC000091528632 180180293 /nfs/dbraw/zinc/18/02/93/180180293.db2.gz JZBGWUITYNGEAD-MRXNPFEDSA-N 1 0 276.424 2.482 10 0 CEAERO CC[NH2+][C@H](c1cc(Cl)cnc1N)C(C)(C)N(C)C ZINC000091528941 180180386 /nfs/dbraw/zinc/18/03/86/180180386.db2.gz XBKISWXLYZUZPX-LLVKDONJSA-N 1 0 270.808 2.308 10 0 CEAERO C[NH2+][C@H](c1ccc(OC)c(F)c1)C(C)(C)N(C)C ZINC000091528838 180180518 /nfs/dbraw/zinc/18/05/18/180180518.db2.gz PRZLPRGBAVQKBZ-CYBMUJFWSA-N 1 0 254.349 2.435 10 0 CEAERO CCN(CC)C(C)(C)[C@@H]([NH2+]C)c1cccnc1N ZINC000091531179 180180527 /nfs/dbraw/zinc/18/05/27/180180527.db2.gz UZXDUSFNMBELNU-LBPRGKRZSA-N 1 0 250.390 2.045 10 0 CEAERO CCN(CC)C(C)(C)[C@H]([NH2+]C)c1ccnn1CC ZINC000091530677 180180683 /nfs/dbraw/zinc/18/06/83/180180683.db2.gz YQLVPFIZDXYLJG-CYBMUJFWSA-N 1 0 252.406 2.284 10 0 CEAERO CCc1cc(C[C@H](O)C(C)(C)[NH+](CC)CC)n(CC)n1 ZINC000091529890 180180728 /nfs/dbraw/zinc/18/07/28/180180728.db2.gz IADMWPIHSXGOPD-HNNXBMFYSA-N 1 0 281.444 2.489 10 0 CEAERO CC[NH2+][C@H](c1ccnn1C)C(C)(C)N(CC)CC ZINC000091531583 180180975 /nfs/dbraw/zinc/18/09/75/180180975.db2.gz DPLUJHJKKRADHH-CYBMUJFWSA-N 1 0 252.406 2.191 10 0 CEAERO C[NH2+][C@H](Cc1c(Cl)c(C)nn1C)C(C)(C)N1CCCC1 ZINC000091534403 180181165 /nfs/dbraw/zinc/18/11/65/180181165.db2.gz PGGQUWATZQFINS-CYBMUJFWSA-N 1 0 298.862 2.387 10 0 CEAERO CCc1cc(C[C@H]([NH2+]C)C(C)(C)N2CCCC2)n(CC)n1 ZINC000091534704 180182195 /nfs/dbraw/zinc/18/21/95/180182195.db2.gz ZIGPYBOXNFCXLR-INIZCTEOSA-N 1 0 292.471 2.470 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000091545979 180187100 /nfs/dbraw/zinc/18/71/00/180187100.db2.gz OGFLDGYPMVMHII-NDMJEZRESA-N 1 0 250.317 2.130 10 0 CEAERO [NH3+][C@@H]1CC[C@H](C(=O)NCc2ccccc2C(F)(F)F)C1 ZINC000091549123 180188441 /nfs/dbraw/zinc/18/84/41/180188441.db2.gz DHMYUHQZNQHKSN-GXSJLCMTSA-N 1 0 286.297 2.449 10 0 CEAERO CCC(CC)([C@H](O)Cc1cc(C)nn1C)[NH+]1CCCC1 ZINC000091634504 180210196 /nfs/dbraw/zinc/21/01/96/180210196.db2.gz BHZPCUUIBAFHHR-OAHLLOKOSA-N 1 0 279.428 2.287 10 0 CEAERO CCN(CC)C1([C@@H](Cc2ncnn2CC)[NH2+]C)CCCC1 ZINC000091639662 180212382 /nfs/dbraw/zinc/21/23/82/180212382.db2.gz GWOJJALIZJZFDI-CQSZACIVSA-N 1 0 293.459 2.083 10 0 CEAERO CC[NH+](CC)C1([C@H](NC)c2cncnc2)CCCC1 ZINC000091639444 180212389 /nfs/dbraw/zinc/21/23/89/180212389.db2.gz MULHOKGNTPEABC-CQSZACIVSA-N 1 0 262.401 2.392 10 0 CEAERO CC[NH+](CC)C1([C@@H](NC)c2cnn(C)c2)CCCC1 ZINC000091639556 180212421 /nfs/dbraw/zinc/21/24/21/180212421.db2.gz ZQINDJAPNWUABV-AWEZNQCLSA-N 1 0 264.417 2.335 10 0 CEAERO CCN(CC)C1([C@H]([NH2+]C)[C@@H]2CCOC2)CCCC1 ZINC000091639430 180212511 /nfs/dbraw/zinc/21/25/11/180212511.db2.gz UCDKNTKMDDRVSV-ZIAGYGMSSA-N 1 0 254.418 2.266 10 0 CEAERO CCN(CC)C1([C@@H](Cc2ccnc(N)c2)[NH2+]C)CCCC1 ZINC000091639436 180212684 /nfs/dbraw/zinc/21/26/84/180212684.db2.gz XFQSZAJKHMDYTR-OAHLLOKOSA-N 1 0 290.455 2.449 10 0 CEAERO CC(C)n1ncnc1CC(=O)C1([NH+]2CCCC2)CCCC1 ZINC000091640064 180213124 /nfs/dbraw/zinc/21/31/24/180213124.db2.gz PYDFFIUHYSWZDG-UHFFFAOYSA-N 1 0 290.411 2.379 10 0 CEAERO CCc1cc(C[C@H](O)C2([NH+]3CCCC3)CCCC2)n(C)n1 ZINC000091640249 180213483 /nfs/dbraw/zinc/21/34/83/180213483.db2.gz WPOCPEYQDHVVLH-INIZCTEOSA-N 1 0 291.439 2.295 10 0 CEAERO CC[NH2+][C@H](c1cnccn1)C1(N(C)C)CCCCC1 ZINC000091647763 180215326 /nfs/dbraw/zinc/21/53/26/180215326.db2.gz OEGWFFRYSULZIO-CQSZACIVSA-N 1 0 262.401 2.392 10 0 CEAERO CCc1cc(C[C@H]([NH2+]C)C2(N(C)C)CCCCC2)n(C)n1 ZINC000091647563 180215512 /nfs/dbraw/zinc/21/55/12/180215512.db2.gz FUAMGFOLHVRTFW-INIZCTEOSA-N 1 0 292.471 2.378 10 0 CEAERO C[C@@H]1CCC[C@](C(=O)Cc2cnn(C)c2)([NH+](C)C)C1 ZINC000091650064 180216457 /nfs/dbraw/zinc/21/64/57/180216457.db2.gz APHHWEUBSMYUPM-DOMZBBRYSA-N 1 0 263.385 2.042 10 0 CEAERO CC(C)n1ncnc1C[C@H](N)C1([NH+](C)C)CCCCCC1 ZINC000091654350 180216856 /nfs/dbraw/zinc/21/68/56/180216856.db2.gz VWRIQJMWCBJJCO-AWEZNQCLSA-N 1 0 293.459 2.383 10 0 CEAERO CC[N@@H+]1CCC[C@H](Nc2nc(Cl)ncc2F)C1 ZINC000091655367 180217267 /nfs/dbraw/zinc/21/72/67/180217267.db2.gz APKBETBPYSVRIP-QMMMGPOBSA-N 1 0 258.728 2.165 10 0 CEAERO CC[NH+]1CCC(CNc2nc(Cl)ncc2F)CC1 ZINC000091655512 180217394 /nfs/dbraw/zinc/21/73/94/180217394.db2.gz RBWBQVGYEQLQBO-UHFFFAOYSA-N 1 0 272.755 2.413 10 0 CEAERO Fc1cnc(Cl)nc1NCC[NH+]1CCCCC1 ZINC000091655430 180217441 /nfs/dbraw/zinc/21/74/41/180217441.db2.gz NAMWFPHFKZWPGL-UHFFFAOYSA-N 1 0 258.728 2.167 10 0 CEAERO CC[NH+](CC)C[C@@H](C)Nc1nc(Cl)ncc1F ZINC000091655549 180217806 /nfs/dbraw/zinc/21/78/06/180217806.db2.gz CLBAKIPJNJDNPT-MRVPVSSYSA-N 1 0 260.744 2.411 10 0 CEAERO C[C@H]([NH2+][C@H]1CCCc2cccnc21)C(=O)N1CCCCC1 ZINC000091661171 180218732 /nfs/dbraw/zinc/21/87/32/180218732.db2.gz YYWLSDDKPFZQOO-ZFWWWQNUSA-N 1 0 287.407 2.450 10 0 CEAERO COC(OC)[C@@H](C)[NH2+][C@@H]1CCCc2cccnc21 ZINC000091661728 180219271 /nfs/dbraw/zinc/21/92/71/180219271.db2.gz OBDSZEKLUZONMZ-ZYHUDNBSSA-N 1 0 250.342 2.056 10 0 CEAERO Nc1cccc(Cl)c1NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091662647 180219916 /nfs/dbraw/zinc/21/99/16/180219916.db2.gz NTMCVWYJHZEAAI-GHMZBOCLSA-N 1 0 281.787 2.197 10 0 CEAERO CCCN[C@H](CC[NH+](CC)CC)c1nccn1C ZINC000091716827 180232315 /nfs/dbraw/zinc/23/23/15/180232315.db2.gz MTCKQYCHWAEPBC-CYBMUJFWSA-N 1 0 252.406 2.193 10 0 CEAERO C[NH2+][C@@H](Cc1ccc(C(C)C)cc1)[C@H]1CN(C)CCO1 ZINC000091717936 180232428 /nfs/dbraw/zinc/23/24/28/180232428.db2.gz KLDYKMCTEWGRQV-DLBZAZTESA-N 1 0 276.424 2.271 10 0 CEAERO CCC[NH2+][C@H](c1ccc(F)cc1F)[C@@H]1CN(C)CCO1 ZINC000091718983 180233256 /nfs/dbraw/zinc/23/32/56/180233256.db2.gz PZNGWMKODIIVAU-LSDHHAIUSA-N 1 0 284.350 2.336 10 0 CEAERO CC[NH2+][C@H](Cc1cc(C)ccc1C)[C@@H]1CN(C)CCO1 ZINC000091718631 180233272 /nfs/dbraw/zinc/23/32/72/180233272.db2.gz GBDRUYJLPNLYBP-SJORKVTESA-N 1 0 276.424 2.155 10 0 CEAERO CCCOc1ccc([C@H]([NH2+]CC)[C@H]2CN(C)CCO2)cc1 ZINC000091718768 180233299 /nfs/dbraw/zinc/23/32/99/180233299.db2.gz YRLMTSNKKHCLEF-SJORKVTESA-N 1 0 292.423 2.457 10 0 CEAERO CC[NH2+][C@@H](c1cccc(C)c1C)[C@@H]1CN(C)CCO1 ZINC000091718702 180233490 /nfs/dbraw/zinc/23/34/90/180233490.db2.gz XNNBSYPMLDSLJT-HOTGVXAUSA-N 1 0 262.397 2.285 10 0 CEAERO CCC[NH2+][C@H](CCc1ccsc1)[C@@H]1CN(C)CCO1 ZINC000091719303 180234090 /nfs/dbraw/zinc/23/40/90/180234090.db2.gz JZZYEWDPZPRFTQ-CABCVRRESA-N 1 0 282.453 2.380 10 0 CEAERO C[NH2+][C@@H](Cc1cc(Cl)ccc1OC)CN(C)C ZINC000091719632 180234419 /nfs/dbraw/zinc/23/44/19/180234419.db2.gz RWLAHLDIFRLLNX-LBPRGKRZSA-N 1 0 256.777 2.041 10 0 CEAERO C[NH2+][C@H](c1ccccc1C)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091720892 180236826 /nfs/dbraw/zinc/23/68/26/180236826.db2.gz BUCPLVINVWZYBL-FVQBIDKESA-N 1 0 260.381 2.119 10 0 CEAERO CC(C)(C)C1CCC([NH2+][C@H]2CCOC[C@H]2O)CC1 ZINC000624234947 350238610 /nfs/dbraw/zinc/23/86/10/350238610.db2.gz ABMCYPPWVYLKAR-CLRIEMFWSA-N 1 0 255.402 2.331 10 0 CEAERO O[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000624235958 350239588 /nfs/dbraw/zinc/23/95/88/350239588.db2.gz SYVUTRARQGBOAT-MELADBBJSA-N 1 0 267.756 2.067 10 0 CEAERO C[NH2+][C@H](c1cc(C)ccc1F)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721323 180237617 /nfs/dbraw/zinc/23/76/17/180237617.db2.gz AIRXRNNGUODDBF-DAXOMENPSA-N 1 0 278.371 2.258 10 0 CEAERO O[C@@H]1COCC[C@H]1[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000624238202 350241372 /nfs/dbraw/zinc/24/13/72/350241372.db2.gz MFPGBFCRZFGHMS-UZVIJOLCSA-N 1 0 281.783 2.325 10 0 CEAERO CC[NH2+][C@H](C[C@H](C)CC)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721554 180238312 /nfs/dbraw/zinc/23/83/12/180238312.db2.gz AIEWUZUNWRQMGD-TUVASFSCSA-N 1 0 254.418 2.264 10 0 CEAERO CCc1ccc(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])o1 ZINC000091762930 180248515 /nfs/dbraw/zinc/24/85/15/180248515.db2.gz KOOHETLCWXZSKE-PWSUYJOCSA-N 1 0 250.342 2.089 10 0 CEAERO COC(=O)c1ccc([C@@H](C)N(C)C2CC[NH+](C)CC2)o1 ZINC000091780227 180252375 /nfs/dbraw/zinc/25/23/75/180252375.db2.gz GRULNNODAMQKIF-LLVKDONJSA-N 1 0 280.368 2.153 10 0 CEAERO COCC[N@H+]([C@H](C)COC)[C@@H](C)c1ccc(C(=O)OC)o1 ZINC000091781823 180253733 /nfs/dbraw/zinc/25/37/33/180253733.db2.gz JERIIDFAWAVJAP-NEPJUHHUSA-N 1 0 299.367 2.111 10 0 CEAERO Cc1ccc(O)c(C[NH2+][C@H](CC(C)C)CN(C)C)n1 ZINC000105436397 186057113 /nfs/dbraw/zinc/05/71/13/186057113.db2.gz VXEMNFUBONOQHE-CYBMUJFWSA-N 1 0 265.401 2.162 10 0 CEAERO CCC[NH2+][C@H](c1ccco1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091722199 180239887 /nfs/dbraw/zinc/23/98/87/180239887.db2.gz SPQRLIKXOZTZTL-BPLDGKMQSA-N 1 0 264.369 2.184 10 0 CEAERO CCC[NH2+]C[C@@H](C)Cc1c(C)nc(CN(C)C)nc1C ZINC000091723811 180241992 /nfs/dbraw/zinc/24/19/92/180241992.db2.gz PXNOQDXVPZPVPJ-LBPRGKRZSA-N 1 0 278.444 2.333 10 0 CEAERO Cc1noc(CC[NH2+]Cc2ccc(OC(F)F)cc2)n1 ZINC000105470204 186059656 /nfs/dbraw/zinc/05/96/56/186059656.db2.gz CVOOZIWZSFFZQF-UHFFFAOYSA-N 1 0 283.278 2.312 10 0 CEAERO CCN(C(=O)CCC(F)(F)F)C1CCC([NH3+])CC1 ZINC000091850123 180272474 /nfs/dbraw/zinc/27/24/74/180272474.db2.gz AGTNJYMWGOKTCP-UHFFFAOYSA-N 1 0 266.307 2.447 10 0 CEAERO CCN(c1cc(OC(C)C)ncn1)C1CCC([NH3+])CC1 ZINC000091851347 180272817 /nfs/dbraw/zinc/27/28/17/180272817.db2.gz JJBJDUBORVJYEH-UHFFFAOYSA-N 1 0 278.400 2.360 10 0 CEAERO CCOC(=O)c1cccnc1N(CC)C1CCC([NH3+])CC1 ZINC000091851192 180272995 /nfs/dbraw/zinc/27/29/95/180272995.db2.gz FCEDXXWDNOVJPP-UHFFFAOYSA-N 1 0 291.395 2.355 10 0 CEAERO CCC[C@H](C)NC(=O)Cn1ccc([C@@H](C)[NH2+]C)c1 ZINC000091804629 180259915 /nfs/dbraw/zinc/25/99/15/180259915.db2.gz WWJAPBHLCSHXDU-NWDGAFQWSA-N 1 0 251.374 2.073 10 0 CEAERO CCCNC(=O)Cn1ccc([C@H](C)[NH2+]CCC)c1 ZINC000091805794 180260851 /nfs/dbraw/zinc/26/08/51/180260851.db2.gz VWPYHZZAGJIUDG-LBPRGKRZSA-N 1 0 251.374 2.075 10 0 CEAERO CCCNC(=O)Cn1ccc([C@@H](CCC)[NH2+]CC)c1 ZINC000091822594 180263834 /nfs/dbraw/zinc/26/38/34/180263834.db2.gz NPPAARVBZVGUFM-CQSZACIVSA-N 1 0 265.401 2.465 10 0 CEAERO CC[NH2+][C@H](c1ccn(CC(=O)NC2CC2)c1)C(C)C ZINC000091827991 180264686 /nfs/dbraw/zinc/26/46/86/180264686.db2.gz CWXCRKMJKPUXKZ-HNNXBMFYSA-N 1 0 263.385 2.073 10 0 CEAERO CC(C)[C@@H]([NH3+])c1ccn(CC(=O)N[C@@H](C)C(C)C)c1 ZINC000091825860 180264931 /nfs/dbraw/zinc/26/49/31/180264931.db2.gz VVCBPVOCKOZLEB-SWLSCSKDSA-N 1 0 265.401 2.305 10 0 CEAERO CCC[NH2+][C@H](c1ccn(CCC(=O)NCC)c1)C1CC1 ZINC000091839399 180267903 /nfs/dbraw/zinc/26/79/03/180267903.db2.gz NHPYBFXQVKETDI-INIZCTEOSA-N 1 0 277.412 2.465 10 0 CEAERO Cc1cc(C)cc(S(=O)(=O)N(C)C2CCC([NH3+])CC2)c1 ZINC000091846163 180270567 /nfs/dbraw/zinc/27/05/67/180270567.db2.gz BHQMQZZGTBXIFP-UHFFFAOYSA-N 1 0 296.436 2.194 10 0 CEAERO CC(C)n1cncc1[C@@H](O)[C@@]1(C[NH3+])CCc2ccccc21 ZINC000091926473 180287562 /nfs/dbraw/zinc/28/75/62/180287562.db2.gz SQMGMLUIAQPDFD-IAGOWNOFSA-N 1 0 285.391 2.340 10 0 CEAERO CCC[NH2+]C1CCN(C(=O)N2CCCCCC2)CC1 ZINC000091970882 180295101 /nfs/dbraw/zinc/29/51/01/180295101.db2.gz LFPYYRODMLBBRA-UHFFFAOYSA-N 1 0 267.417 2.446 10 0 CEAERO CCCN(C(=O)N1CCCC1)C(CC)(CC)C[NH3+] ZINC000091968310 180294193 /nfs/dbraw/zinc/29/41/93/180294193.db2.gz JXMQZZXKKRTOIF-UHFFFAOYSA-N 1 0 255.406 2.432 10 0 CEAERO [NH3+]CCOc1cccc(NC(=O)N2CCCCC2)c1 ZINC000091969025 180294363 /nfs/dbraw/zinc/29/43/63/180294363.db2.gz NXNPHQRSFOJGCO-UHFFFAOYSA-N 1 0 263.341 2.042 10 0 CEAERO C[NH2+]C1CCC(NC(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000091871840 180277867 /nfs/dbraw/zinc/27/78/67/180277867.db2.gz RETPTKPDNJBPFP-UHFFFAOYSA-N 1 0 285.391 2.357 10 0 CEAERO CN(C(=O)N1CCCCC1)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000091969545 180294698 /nfs/dbraw/zinc/29/46/98/180294698.db2.gz QNEMSZSZLICENG-CHWSQXEVSA-N 1 0 253.390 2.042 10 0 CEAERO COc1ccc2ccccc2c1[C@@H](O)[C@@]1(C[NH3+])CCOC1 ZINC000091908635 180284544 /nfs/dbraw/zinc/28/45/44/180284544.db2.gz HJUQTJFUHHXZKN-IAGOWNOFSA-N 1 0 287.359 2.247 10 0 CEAERO CC(C)(C[NH3+])[C@H](O)c1cc2c(c(Cl)c1)OCO2 ZINC000091909947 180284589 /nfs/dbraw/zinc/28/45/89/180284589.db2.gz KCTXYQWIVFGCEF-LLVKDONJSA-N 1 0 257.717 2.087 10 0 CEAERO [NH3+]C[C@]1([C@@H](O)c2ccc(C(F)(F)F)cc2)CCOC1 ZINC000091910553 180285257 /nfs/dbraw/zinc/28/52/57/180285257.db2.gz MJMBLERZLNWOPI-NWDGAFQWSA-N 1 0 275.270 2.104 10 0 CEAERO [NH3+]CC1([C@H](O)[C@H]2CC=CCC2)Cc2ccccc2C1 ZINC000091913901 180285302 /nfs/dbraw/zinc/28/53/02/180285302.db2.gz UMKMRCVPALBKMK-XJKSGUPXSA-N 1 0 257.377 2.448 10 0 CEAERO CN1CCc2cc([C@H](O)C3(C[NH3+])CCCC3)ccc21 ZINC000091913362 180285321 /nfs/dbraw/zinc/28/53/21/180285321.db2.gz DERCTPWWWJYELW-HNNXBMFYSA-N 1 0 260.381 2.231 10 0 CEAERO CC[C@@]1(C)C[C@](O)(C2(C[NH3+])Cc3ccccc3C2)CCO1 ZINC000091919134 180286781 /nfs/dbraw/zinc/28/67/81/180286781.db2.gz WCTVIUVYUVHOLB-WMZOPIPTSA-N 1 0 289.419 2.441 10 0 CEAERO CN(CC[C@@H]1CCCC[NH2+]1)C(=O)N1CCCCCC1 ZINC000091971188 180295144 /nfs/dbraw/zinc/29/51/44/180295144.db2.gz OMRJHOVQMPKTPD-AWEZNQCLSA-N 1 0 267.417 2.446 10 0 CEAERO C[C@H]1CCCN(C(=O)N(C)c2ccc(C[NH3+])cc2)C1 ZINC000091972661 180296166 /nfs/dbraw/zinc/29/61/66/180296166.db2.gz ZXYJJRWBMKGAGI-LBPRGKRZSA-N 1 0 261.369 2.433 10 0 CEAERO CC1CCN(C(=O)N2CC[NH2+]CC23CCCCC3)CC1 ZINC000091991384 180300072 /nfs/dbraw/zinc/30/00/72/180300072.db2.gz CLTYGWHUMWQJFM-UHFFFAOYSA-N 1 0 279.428 2.446 10 0 CEAERO C[C@H]1CCCN(C(=O)NC2(C(N)=[NH2+])CCCCC2)C1 ZINC000091993267 180300404 /nfs/dbraw/zinc/30/04/04/180300404.db2.gz AXGSPNIRHDHMGV-NSHDSACASA-N 1 0 266.389 2.067 10 0 CEAERO Cc1ccc(OCC(=O)Nc2cccc(F)c2)c(C[NH3+])n1 ZINC000091993571 180301137 /nfs/dbraw/zinc/30/11/37/180301137.db2.gz AHHCQXPQWINZSH-UHFFFAOYSA-N 1 0 289.310 2.005 10 0 CEAERO C[NH2+]Cc1nc(C)ccc1O[C@@H]1CCC[C@H](OC)C1 ZINC000091994351 180301313 /nfs/dbraw/zinc/30/13/13/180301313.db2.gz RSJUEKHUHGDOPJ-QWHCGFSZSA-N 1 0 264.369 2.446 10 0 CEAERO C[NH2+]Cc1nc(C)ccc1O[C@H]1CCCCC[C@H]1O ZINC000091994226 180301316 /nfs/dbraw/zinc/30/13/16/180301316.db2.gz ZCKQYTDRADAUGR-HIFRSBDPSA-N 1 0 264.369 2.182 10 0 CEAERO C[NH2+]Cc1nc(C)ccc1O[C@H]1CCCCC[C@@H]1O ZINC000091994224 180301356 /nfs/dbraw/zinc/30/13/56/180301356.db2.gz ZCKQYTDRADAUGR-ZFWWWQNUSA-N 1 0 264.369 2.182 10 0 CEAERO Cc1ccc(OCC[C@@H]2CCCO2)c(C[C@@H](C)[NH3+])n1 ZINC000092000116 180303694 /nfs/dbraw/zinc/30/36/94/180303694.db2.gz UKGIUNHLKXJYSF-YPMHNXCESA-N 1 0 264.369 2.228 10 0 CEAERO CCOC(=O)[C@@H](CC)Oc1ccc(C)nc1C[C@H](C)[NH3+] ZINC000092000065 180303696 /nfs/dbraw/zinc/30/36/96/180303696.db2.gz OOBAGRJNTNOUKW-GXFFZTMASA-N 1 0 280.368 2.000 10 0 CEAERO Cc1ccc(OCc2ccncc2)c(C[C@H](C)[NH3+])n1 ZINC000092000261 180303807 /nfs/dbraw/zinc/30/38/07/180303807.db2.gz XCLJQVNWJUHMSR-NSHDSACASA-N 1 0 257.337 2.254 10 0 CEAERO CNc1ccc(Cl)c(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000092002801 180304576 /nfs/dbraw/zinc/30/45/76/180304576.db2.gz SGOFXDHSUDOQKA-NEPJUHHUSA-N 1 0 294.830 2.445 10 0 CEAERO CCC[NH2+][C@H](C=C(C)C)C(C)(C)N1CCOCC1 ZINC000092127993 180329153 /nfs/dbraw/zinc/32/91/53/180329153.db2.gz VTWZPJZGVZAYLG-CQSZACIVSA-N 1 0 254.418 2.432 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)N(CC(F)(F)F)[C@@H](C)C1CC1 ZINC000092134314 180332192 /nfs/dbraw/zinc/33/21/92/180332192.db2.gz UDEJMIUPKHAGNU-BDAKNGLRSA-N 1 0 266.307 2.031 10 0 CEAERO COC(C)(C)c1nc(C)c(C[C@H](C)C[NH3+])c(C)n1 ZINC000092141092 180333644 /nfs/dbraw/zinc/33/36/44/180333644.db2.gz HCCGWOAOWAZXGM-VIFPVBQESA-N 1 0 251.374 2.112 10 0 CEAERO COC(C)(C)c1noc(C[C@@H](C[NH3+])CC(C)C)n1 ZINC000092137947 180333706 /nfs/dbraw/zinc/33/37/06/180333706.db2.gz JTEZXHHTAVTOGU-JTQLQIEISA-N 1 0 255.362 2.115 10 0 CEAERO C[C@H]1C[N@H+](C[C@H](N)c2ccc3c(c2)OCCO3)C[C@H]1C ZINC000092084201 180320123 /nfs/dbraw/zinc/32/01/23/180320123.db2.gz IYJDUIRYZIOHLX-SCRDCRAPSA-N 1 0 276.380 2.045 10 0 CEAERO CCOC(=O)[C@@](C)(CCC[N@@H+]1C[C@H](C)[C@H](C)C1)NC1CC1 ZINC000092087576 180321146 /nfs/dbraw/zinc/32/11/46/180321146.db2.gz SJRKBYCJCGWZLG-JKIFEVAISA-N 1 0 296.455 2.428 10 0 CEAERO CCC[NH2+][C@@](C)(CCC[N@@H+]1C[C@H](C)[C@H](C)C1)C(=O)[O-] ZINC000092087791 180321162 /nfs/dbraw/zinc/32/11/62/180321162.db2.gz PHUWRVGXHOTWBC-GUTXKFCHSA-N 1 0 270.417 2.197 10 0 CEAERO Cc1cc(NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)c2ccccc2n1 ZINC000092201257 180342866 /nfs/dbraw/zinc/34/28/66/180342866.db2.gz KWQKAARRAGCBHV-VXGBXAGGSA-N 1 0 267.332 2.385 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)Nc2cccc3ncccc32)C1 ZINC000092201277 180342992 /nfs/dbraw/zinc/34/29/92/180342992.db2.gz USLCVPSEMNQULR-MNOVXSKESA-N 1 0 253.305 2.077 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(F)cc1F ZINC000105872296 186080282 /nfs/dbraw/zinc/08/02/82/186080282.db2.gz FBVRZOHBTPSBRC-MWLCHTKSSA-N 1 0 278.306 2.222 10 0 CEAERO CC[C@H](NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1)c1ccccc1OC ZINC000092202985 180343387 /nfs/dbraw/zinc/34/33/87/180343387.db2.gz GLRSPNNBUAUFTR-BZPMIXESSA-N 1 0 274.364 2.166 10 0 CEAERO CN(Cc1ccc(Cl)s1)C(=O)[C@@H]1C=C[C@H]([NH3+])C1 ZINC000092204492 180343618 /nfs/dbraw/zinc/34/36/18/180343618.db2.gz HMUYPWHUMQAKBE-BDAKNGLRSA-N 1 0 270.785 2.263 10 0 CEAERO CN(Cc1cccc(Cl)c1)C(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092204433 180343644 /nfs/dbraw/zinc/34/36/44/180343644.db2.gz WWEWRIQNQNUXFO-WCQYABFASA-N 1 0 264.756 2.202 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)N2CCc3sccc3[C@@H]2C2CC2)C1 ZINC000092204699 180343755 /nfs/dbraw/zinc/34/37/55/180343755.db2.gz FPEHOBCPWRKJRW-JMSVASOKSA-N 1 0 288.416 2.487 10 0 CEAERO Cc1cccc(CN(C(=O)[C@H]2C=C[C@@H]([NH3+])C2)C2CC2)c1 ZINC000092204893 180344123 /nfs/dbraw/zinc/34/41/23/180344123.db2.gz DKLZNDNFCRTHRO-LSDHHAIUSA-N 1 0 270.376 2.389 10 0 CEAERO CC(C)(C)c1csc(NC(=O)[C@H]2C=C[C@H]([NH3+])C2)n1 ZINC000092206939 180344402 /nfs/dbraw/zinc/34/44/02/180344402.db2.gz UNJOVWWUFUUKHB-IUCAKERBSA-N 1 0 265.382 2.283 10 0 CEAERO CCC1(CC)CCN(C(=O)[C@H]2C=C[C@H]([NH3+])C2)CC1 ZINC000092207565 180344913 /nfs/dbraw/zinc/34/49/13/180344913.db2.gz LQTVLLWVUFVYQG-STQMWFEESA-N 1 0 250.386 2.319 10 0 CEAERO O=C(NCC[C@H]1CCC[NH2+]C1)[C@@H]1Cc2ccccc2S1 ZINC000092232116 180348497 /nfs/dbraw/zinc/34/84/97/180348497.db2.gz DTZYOLJOOIHKJJ-DOMZBBRYSA-N 1 0 290.432 2.209 10 0 CEAERO CSc1ccc(C(=O)N[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000092232000 180348753 /nfs/dbraw/zinc/34/87/53/180348753.db2.gz NVGPOEYNEDYKKK-VXGBXAGGSA-N 1 0 250.367 2.018 10 0 CEAERO CSc1ccccc1C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000092232200 180348755 /nfs/dbraw/zinc/34/87/55/180348755.db2.gz DRTXYTIIXNCARP-NSHDSACASA-N 1 0 264.394 2.280 10 0 CEAERO C[NH2+]CCc1noc([C@@H]2Cc3ccccc3S2)n1 ZINC000092234114 180349246 /nfs/dbraw/zinc/34/92/46/180349246.db2.gz JDSAWYBOASJFNG-NSHDSACASA-N 1 0 261.350 2.221 10 0 CEAERO CCN(C(=O)[C@H]1CSc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000092239405 180350832 /nfs/dbraw/zinc/35/08/32/180350832.db2.gz SSQFJASMEUYYQB-AAEUAGOBSA-N 1 0 276.405 2.086 10 0 CEAERO [NH3+]CCCc1nnc([C@H]2CSc3ccccc32)o1 ZINC000092240291 180351633 /nfs/dbraw/zinc/35/16/33/180351633.db2.gz BCLKDRJCENNECN-JTQLQIEISA-N 1 0 261.350 2.199 10 0 CEAERO CC[C@](C)(CO)[NH2+]C[C@@H]1Cc2ccccc2S1 ZINC000092244575 180352184 /nfs/dbraw/zinc/35/21/84/180352184.db2.gz SJRCWEFDDBQUMU-GXTWGEPZSA-N 1 0 251.395 2.454 10 0 CEAERO CCN(C[C@@H]1Cc2ccccc2S1)[C@@H]1CC[NH2+]C1 ZINC000092267774 180355573 /nfs/dbraw/zinc/35/55/73/180355573.db2.gz HGVITSQJANFLPX-KGLIPLIRSA-N 1 0 262.422 2.387 10 0 CEAERO OC1(C[NH2+]C[C@@H]2COc3ccccc32)CCCCC1 ZINC000092301324 180359668 /nfs/dbraw/zinc/35/96/68/180359668.db2.gz KHFPRNNEWKOANY-CYBMUJFWSA-N 1 0 261.365 2.447 10 0 CEAERO c1ncn(C[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)n1 ZINC000105883481 186082981 /nfs/dbraw/zinc/08/29/81/186082981.db2.gz LTHHTVWDCFULNV-MRXNPFEDSA-N 1 0 270.380 2.233 10 0 CEAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CCOC(C)(C)C)C2)n1 ZINC000105885520 186083761 /nfs/dbraw/zinc/08/37/61/186083761.db2.gz UXDZGYHRVJONGN-OAHLLOKOSA-N 1 0 294.443 2.422 10 0 CEAERO COc1ccc(-c2noc([C@H]3C=C[C@H]([NH3+])C3)n2)cc1OC ZINC000092181459 180338513 /nfs/dbraw/zinc/33/85/13/180338513.db2.gz CEKKZJGNXRUQBO-QWRGUYRKSA-N 1 0 287.319 2.125 10 0 CEAERO COc1cccc(Cc2noc([C@H]3C=C[C@H]([NH3+])C3)n2)c1 ZINC000092181535 180339033 /nfs/dbraw/zinc/33/90/33/180339033.db2.gz SRFFHGNTKOATCB-RYUDHWBXSA-N 1 0 271.320 2.040 10 0 CEAERO Cc1cnn([C@@H]2CCC[N@H+](CCOCC(F)(F)F)C2)c1 ZINC000105901549 186087307 /nfs/dbraw/zinc/08/73/07/186087307.db2.gz ITEWCUZPCRHPFU-GFCCVEGCSA-N 1 0 291.317 2.407 10 0 CEAERO CC[NH2+]CCc1c(CC)nc(COCC)nc1CC ZINC000092318665 180361675 /nfs/dbraw/zinc/36/16/75/180361675.db2.gz KEEDRMIEACMLSE-UHFFFAOYSA-N 1 0 265.401 2.290 10 0 CEAERO CCCOCc1nc(CC)c(CC[NH2+]C)c(CC)n1 ZINC000092318369 180361697 /nfs/dbraw/zinc/36/16/97/180361697.db2.gz CSBGKIDVNRJBOR-UHFFFAOYSA-N 1 0 265.401 2.290 10 0 CEAERO CCn1cnnc1C1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000105928303 186092080 /nfs/dbraw/zinc/09/20/80/186092080.db2.gz SSHHEZOEMGEKNS-UHFFFAOYSA-N 1 0 291.424 2.443 10 0 CEAERO CCC[NH2+]C[C@@H](C)Cc1c(C)nn(-c2ncccn2)c1C ZINC000092321549 180362460 /nfs/dbraw/zinc/36/24/60/180362460.db2.gz YYTKXUHNGODGFJ-LBPRGKRZSA-N 1 0 287.411 2.457 10 0 CEAERO CCN1CCC[C@H]1C[NH2+]CCOc1ccc(OC)cc1 ZINC000105935690 186093699 /nfs/dbraw/zinc/09/36/99/186093699.db2.gz UEXGUOHLXBGBJL-AWEZNQCLSA-N 1 0 278.396 2.148 10 0 CEAERO CO[C@@H]1CCCC[C@@H]1[NH2+]Cc1c(C)nn(C)c1C ZINC000092325252 180362906 /nfs/dbraw/zinc/36/29/06/180362906.db2.gz JEHSVQLEEWKFLX-UONOGXRCSA-N 1 0 251.374 2.084 10 0 CEAERO Cc1noc(C)c1[C@@H](C)NC(=O)[C@H]1CCCCC[NH2+]1 ZINC000092329291 180363729 /nfs/dbraw/zinc/36/37/29/180363729.db2.gz PQPPTEXJKGQRFV-BXKDBHETSA-N 1 0 265.357 2.001 10 0 CEAERO Cc1nn(C)c(C)c1CN1CC[C@H](C[NH2+]C(C)(C)C)C1 ZINC000092339841 180365272 /nfs/dbraw/zinc/36/52/72/180365272.db2.gz XHPGQVHBYKXFEP-CQSZACIVSA-N 1 0 278.444 2.247 10 0 CEAERO CC[C@]1(C)CSC(NCc2c(C)nn(C)c2C)=[NH+]1 ZINC000092341173 180365861 /nfs/dbraw/zinc/36/58/61/180365861.db2.gz REOOUIGMHKJPNU-CYBMUJFWSA-N 1 0 266.414 2.398 10 0 CEAERO Cc1noc(C)c1[C@H](C)N1CCC[C@@H]([NH2+]C(C)C)C1=O ZINC000092342020 180366001 /nfs/dbraw/zinc/36/60/01/180366001.db2.gz LGTGIYZEVXNXRN-WCQYABFASA-N 1 0 279.384 2.341 10 0 CEAERO Cc1nn(C)c(C)c1Cn1ccc2c1CCC[C@@H]2[NH3+] ZINC000092341763 180366089 /nfs/dbraw/zinc/36/60/89/180366089.db2.gz BXDJYULBRBATSJ-AWEZNQCLSA-N 1 0 258.369 2.223 10 0 CEAERO CCCNC(=O)[C@H](C[NH3+])Cc1cc(C)nc2ccccc12 ZINC000092344561 180366262 /nfs/dbraw/zinc/36/62/62/180366262.db2.gz DYMBNULFPPGAFZ-AWEZNQCLSA-N 1 0 285.391 2.187 10 0 CEAERO COC(=O)CC[C@@H]([NH3+])Cc1cc(C)nc2ccccc12 ZINC000092345529 180366299 /nfs/dbraw/zinc/36/62/99/180366299.db2.gz QEPBXUPRNRISKO-CYBMUJFWSA-N 1 0 272.348 2.366 10 0 CEAERO C[C@H](C(N)=S)[N@H+](C)Cc1ccnc2ccccc12 ZINC000092347805 180367604 /nfs/dbraw/zinc/36/76/04/180367604.db2.gz XKNRTUUUTZUMPK-SNVBAGLBSA-N 1 0 259.378 2.341 10 0 CEAERO Cc1cc(NS(=O)(=O)c2ccc(Cl)c(N)c2)cc[nH+]1 ZINC000092348808 180367757 /nfs/dbraw/zinc/36/77/57/180367757.db2.gz RJXMJJVOSJJFGK-UHFFFAOYSA-N 1 0 297.767 2.426 10 0 CEAERO CCNc1cccc(C[N@H+](C)[C@H]2CCSC2)n1 ZINC000092368319 180369956 /nfs/dbraw/zinc/36/99/56/180369956.db2.gz YHTAZKXITJLZQO-LBPRGKRZSA-N 1 0 251.399 2.451 10 0 CEAERO CCn1ncnc1C[C@]1([NH3+])CCCc2ccc(OC)cc21 ZINC000092367402 180369990 /nfs/dbraw/zinc/36/99/90/180369990.db2.gz AZUFKAZZUDRYBK-MRXNPFEDSA-N 1 0 286.379 2.040 10 0 CEAERO CCCNc1cccc(CN2CC[NH+](CC)CC2)n1 ZINC000092367920 180370113 /nfs/dbraw/zinc/37/01/13/180370113.db2.gz VUHKCSVMEJYYAA-UHFFFAOYSA-N 1 0 262.401 2.041 10 0 CEAERO CCOC(=O)CCC[N@@H+]1CCC[C@@H](n2ccnc2CC)C1 ZINC000105897833 186085360 /nfs/dbraw/zinc/08/53/60/186085360.db2.gz VEOOILWFKDAMCY-CQSZACIVSA-N 1 0 293.411 2.426 10 0 CEAERO Cc1cnn([C@H]2CCC[N@H+](C[C@@H]3CCCCO3)C2)c1 ZINC000105899596 186085887 /nfs/dbraw/zinc/08/58/87/186085887.db2.gz BJZZGMDOJLFALQ-GJZGRUSLSA-N 1 0 263.385 2.398 10 0 CEAERO COc1ccc2c(c1)[C@H](O)[C@H]([N@@H+]1CC[C@@H](C)C1)CC2 ZINC000092387826 180374821 /nfs/dbraw/zinc/37/48/21/180374821.db2.gz WHPGIHSGSJJPKS-LYRGGWFBSA-N 1 0 261.365 2.385 10 0 CEAERO Cc1cccc(CN2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000092431274 180384269 /nfs/dbraw/zinc/38/42/69/180384269.db2.gz WKRQADONBMQVJY-JKSUJKDBSA-N 1 0 259.397 2.497 10 0 CEAERO CCOCCCCNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106908714 186149597 /nfs/dbraw/zinc/14/95/97/186149597.db2.gz WAAFQJZPUZKVQX-INIZCTEOSA-N 1 0 292.423 2.092 10 0 CEAERO CC(C)c1ccc([C@@H](O)C[NH2+][C@H](CO)C(C)C)cc1 ZINC000092400396 180377447 /nfs/dbraw/zinc/37/74/47/180377447.db2.gz WTVUQHWFASVNCZ-CVEARBPZSA-N 1 0 265.397 2.450 10 0 CEAERO CCOCCCCNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106908712 186149736 /nfs/dbraw/zinc/14/97/36/186149736.db2.gz WAAFQJZPUZKVQX-MRXNPFEDSA-N 1 0 292.423 2.092 10 0 CEAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc(C)cc(OC)c1O ZINC000106457897 186118730 /nfs/dbraw/zinc/11/87/30/186118730.db2.gz FGCAJOUEWJJVBX-LBPRGKRZSA-N 1 0 294.395 2.169 10 0 CEAERO CCN(Cc1cc(Cl)ccn1)[C@H]1CCC[NH2+]C1 ZINC000092417228 180381066 /nfs/dbraw/zinc/38/10/66/180381066.db2.gz RZRZRWHTRSQGNP-ZDUSSCGKSA-N 1 0 253.777 2.309 10 0 CEAERO CCCNc1cc[nH+]c(CN(CCCOC)CCOC)c1 ZINC000092418614 180381338 /nfs/dbraw/zinc/38/13/38/180381338.db2.gz GUWPZCGZMDKUSB-UHFFFAOYSA-N 1 0 295.427 2.388 10 0 CEAERO Cc1nn(Cc2cccc(C)n2)c(C)c1C[C@@H](C)[NH3+] ZINC000092432549 180384123 /nfs/dbraw/zinc/38/41/23/180384123.db2.gz SIUXTXAQHQCKBJ-SNVBAGLBSA-N 1 0 258.369 2.141 10 0 CEAERO CN(Cc1cc(Cl)ccn1)[C@H]1CCC[N@H+](C)C1 ZINC000092416613 180381521 /nfs/dbraw/zinc/38/15/21/180381521.db2.gz BBRHATQCZAUFHE-ZDUSSCGKSA-N 1 0 253.777 2.261 10 0 CEAERO Nc1cc[nH+]c(COc2ccc3c(c2)CCC(=O)N3)c1 ZINC000092420038 180382229 /nfs/dbraw/zinc/38/22/29/180382229.db2.gz WXUSXHQHKOZZON-UHFFFAOYSA-N 1 0 269.304 2.128 10 0 CEAERO CCCNc1cc[nH+]c(Cn2c(C)cccc2=O)c1 ZINC000092419691 180382718 /nfs/dbraw/zinc/38/27/18/180382718.db2.gz JIBHQWLJKAFILX-UHFFFAOYSA-N 1 0 257.337 2.422 10 0 CEAERO CCn1c(C)[nH+]c(-c2cccc(OC)c2OC)c1N ZINC000106831005 186137537 /nfs/dbraw/zinc/13/75/37/186137537.db2.gz DXXBVMDTLIFJEX-UHFFFAOYSA-N 1 0 261.325 2.478 10 0 CEAERO COc1ccc2c(c1)[C@@]([NH2+]C1CCCC1)(C(N)=O)CCC2 ZINC000092384956 180373498 /nfs/dbraw/zinc/37/34/98/180373498.db2.gz JCDCLRXNHHVHGZ-QGZVFWFLSA-N 1 0 288.391 2.244 10 0 CEAERO CC[N@H+](C1CC1)[C@H]1CCc2ccc(OC)cc2[C@@H]1N ZINC000092385346 180373929 /nfs/dbraw/zinc/37/39/29/180373929.db2.gz QHEJWPVBQVNOPY-HOTGVXAUSA-N 1 0 260.381 2.494 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH2+]CCc1nnc[nH]1)CCC2 ZINC000092384199 180374083 /nfs/dbraw/zinc/37/40/83/180374083.db2.gz IJLRSKWCODVTTA-CQSZACIVSA-N 1 0 272.352 2.023 10 0 CEAERO CCN(CCOC)[C@]1(C[NH3+])CCCc2ccc(OC)cc21 ZINC000092384713 180374173 /nfs/dbraw/zinc/37/41/73/180374173.db2.gz KLIKHYZVEWEMGW-KRWDZBQOSA-N 1 0 292.423 2.154 10 0 CEAERO CC(C)[C@@H]([NH2+]Cc1ccc(Br)cc1)C(N)=O ZINC000107323122 186169526 /nfs/dbraw/zinc/16/95/26/186169526.db2.gz BBWXCAGXIIMIPR-LLVKDONJSA-N 1 0 285.185 2.049 10 0 CEAERO CC[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1=O)c1ccccc1 ZINC000106923611 186150744 /nfs/dbraw/zinc/15/07/44/186150744.db2.gz VPNUWLZKQJGGFC-KBPBESRZSA-N 1 0 272.348 2.017 10 0 CEAERO CC(C)N1C(=O)C[C@@H]([NH2+][C@H]2CCCc3ccccc32)C1=O ZINC000106924452 186151661 /nfs/dbraw/zinc/15/16/61/186151661.db2.gz SYDKGKPYNXVPMD-LSDHHAIUSA-N 1 0 286.375 2.190 10 0 CEAERO Cc1ccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2CC(O)C3)c(C)c1 ZINC000107924382 186198328 /nfs/dbraw/zinc/19/83/28/186198328.db2.gz NQFUAYNDZRRFNR-YIONKMFJSA-N 1 0 288.391 2.230 10 0 CEAERO COCC[NH2+]CC(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000092495141 180396578 /nfs/dbraw/zinc/39/65/78/180396578.db2.gz SILTZPXLWJLPBJ-UHFFFAOYSA-N 1 0 299.783 2.124 10 0 CEAERO C[NH+]1CCC(Cn2c3ccncc3[nH]c2=S)CC1 ZINC000092514496 180399577 /nfs/dbraw/zinc/39/95/77/180399577.db2.gz WTFNNWSXGLQQEK-UHFFFAOYSA-N 1 0 262.382 2.436 10 0 CEAERO CC(C)[C@H]([NH2+]CC(C)(C)NS(C)(=O)=O)c1ccccc1 ZINC000109041592 186241323 /nfs/dbraw/zinc/24/13/23/186241323.db2.gz PQIHKSOQDKIGQC-AWEZNQCLSA-N 1 0 298.452 2.301 10 0 CEAERO COc1ccccc1OCC[NH2+]CC1(O)CCCCC1 ZINC000109121467 186244103 /nfs/dbraw/zinc/24/41/03/186244103.db2.gz YKBHRPIJIXKORX-UHFFFAOYSA-N 1 0 279.380 2.359 10 0 CEAERO NC(=O)CC1CC[NH+](C[C@@H]2Cc3ccccc3S2)CC1 ZINC000092661995 180426817 /nfs/dbraw/zinc/42/68/17/180426817.db2.gz GAKRTAXUMKCDPT-AWEZNQCLSA-N 1 0 290.432 2.291 10 0 CEAERO C[C@@H](c1noc(C2CCCCCC2)n1)N1CC[NH2+]CC1 ZINC000109473568 186255362 /nfs/dbraw/zinc/25/53/62/186255362.db2.gz FNAWFEFSHGCBFE-LBPRGKRZSA-N 1 0 278.400 2.474 10 0 CEAERO CC[NH2+][C@@H]1CCC[C@@H]1c1nc(-c2cccnc2)no1 ZINC000109495211 186256649 /nfs/dbraw/zinc/25/66/49/186256649.db2.gz KOKZNIWBPJGTOD-NWDGAFQWSA-N 1 0 258.325 2.377 10 0 CEAERO C[NH2+][C@@H]1CCCCC[C@H]1c1nc(-c2cnccn2)no1 ZINC000109507031 186257612 /nfs/dbraw/zinc/25/76/12/186257612.db2.gz ZPTPONJGEFLABK-GHMZBOCLSA-N 1 0 273.340 2.162 10 0 CEAERO CC[C@H]([NH3+])Cc1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000109505638 186257734 /nfs/dbraw/zinc/25/77/34/186257734.db2.gz BOCWBRGEWMPZCN-JTQLQIEISA-N 1 0 277.324 2.034 10 0 CEAERO CCC[NH2+][C@H](C)[C@@H](C)c1nc(-c2ncccn2)no1 ZINC000109505563 186257859 /nfs/dbraw/zinc/25/78/59/186257859.db2.gz LQOUQEDVNZMREY-NXEZZACHSA-N 1 0 261.329 2.018 10 0 CEAERO COC[C@@H]([NH3+])Cc1nc(-c2cccc3ccccc32)no1 ZINC000109510140 186258649 /nfs/dbraw/zinc/25/86/49/186258649.db2.gz AFAMTKDHWLLZNA-LBPRGKRZSA-N 1 0 283.331 2.406 10 0 CEAERO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(OC)cc1OC ZINC000109555169 186262988 /nfs/dbraw/zinc/26/29/88/186262988.db2.gz GNIDUPQPDUSHCM-GOOCMWNKSA-N 1 0 290.407 2.419 10 0 CEAERO CCCCOCCOc1ccc2c(c1)NC(=O)[C@@H]2[NH2+]C ZINC000109575248 186263708 /nfs/dbraw/zinc/26/37/08/186263708.db2.gz RUWUGQRJVLUNLS-CQSZACIVSA-N 1 0 278.352 2.095 10 0 CEAERO CC[NH2+][C@@H]1C(=O)Nc2cc(OC[C@H]3CCCCO3)ccc21 ZINC000109574182 186264423 /nfs/dbraw/zinc/26/44/23/186264423.db2.gz RFBXUZHIGMGYBQ-DOMZBBRYSA-N 1 0 290.363 2.237 10 0 CEAERO C[C@@H]1CCCC[C@@H]1NC(=S)N1CCC[C@@H]1C[NH+](C)C ZINC000109670912 186268547 /nfs/dbraw/zinc/26/85/47/186268547.db2.gz XKULJINOMANIGW-MCIONIFRSA-N 1 0 283.485 2.466 10 0 CEAERO Cc1nnc(SCc2cc(C[NH3+])ccc2F)n1C ZINC000109687095 186268961 /nfs/dbraw/zinc/26/89/61/186268961.db2.gz NQRYFHRWGMBOBU-UHFFFAOYSA-N 1 0 266.345 2.014 10 0 CEAERO Cc1nnc(SCc2ccc(C[NH3+])cc2F)n1C ZINC000109687092 186269294 /nfs/dbraw/zinc/26/92/94/186269294.db2.gz ZOUHHRTVWIFFAK-UHFFFAOYSA-N 1 0 266.345 2.014 10 0 CEAERO Cc1ccc([C@@H]([NH2+]CCc2nncn2C)C2CC2)cc1 ZINC000109422339 186251173 /nfs/dbraw/zinc/25/11/73/186251173.db2.gz KUVCZIYTFMAXRW-MRXNPFEDSA-N 1 0 270.380 2.407 10 0 CEAERO C[C@H]([NH2+]CCc1nncn1C)c1ccc(OC(F)F)cc1 ZINC000109421648 186251420 /nfs/dbraw/zinc/25/14/20/186251420.db2.gz RRAAUZUWAMMGNE-JTQLQIEISA-N 1 0 296.321 2.310 10 0 CEAERO CCO[C@@H]1CCC[N@H+](Cc2c(N)cccc2F)C1 ZINC000109427528 186251571 /nfs/dbraw/zinc/25/15/71/186251571.db2.gz KUQADAMVYKJJQR-LLVKDONJSA-N 1 0 252.333 2.409 10 0 CEAERO Cn1cnnc1CC[NH2+][C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000109420903 186251606 /nfs/dbraw/zinc/25/16/06/186251606.db2.gz SVFQIYVPQXLDST-YWPYICTPSA-N 1 0 262.401 2.162 10 0 CEAERO c1cc(-c2csc(CN3CC[NH2+]CC3)n2)cs1 ZINC000109432482 186252465 /nfs/dbraw/zinc/25/24/65/186252465.db2.gz WZHHJAIAVAQSKJ-UHFFFAOYSA-N 1 0 265.407 2.277 10 0 CEAERO CCC[C@H](C(N)=S)[NH+]1CCN(C(=O)[C@@H](C)CCC)CC1 ZINC000109464276 186254472 /nfs/dbraw/zinc/25/44/72/186254472.db2.gz BRWQPEPXLCQQCE-QWHCGFSZSA-N 1 0 299.484 2.022 10 0 CEAERO CC[C@@H](c1ncc(-c2ccccc2)cn1)N1CC[NH2+]CC1 ZINC000109475829 186255099 /nfs/dbraw/zinc/25/50/99/186255099.db2.gz SXCBTLSDSVGGEQ-INIZCTEOSA-N 1 0 282.391 2.500 10 0 CEAERO CC[C@H](c1noc(-c2cccc(C)c2)n1)N1CC[NH2+]CC1 ZINC000109474617 186255196 /nfs/dbraw/zinc/25/51/96/186255196.db2.gz CWVSKTKWJQXYRC-CQSZACIVSA-N 1 0 286.379 2.401 10 0 CEAERO CC[NH2+][C@@](C)(CC[N@H+](CCC(C)C)C1CC1)C(=O)[O-] ZINC000109956518 186281157 /nfs/dbraw/zinc/28/11/57/186281157.db2.gz WNWRJSUVBWBHMF-HNNXBMFYSA-N 1 0 270.417 2.340 10 0 CEAERO O=c1ccccn1CC[NH2+]Cc1ccccc1Cl ZINC000110056523 186284221 /nfs/dbraw/zinc/28/42/21/186284221.db2.gz HVJYTTUIDUZFRT-UHFFFAOYSA-N 1 0 262.740 2.292 10 0 CEAERO CC[NH+](CC)[C@@H]1CCN(c2ccc(C(N)=S)cc2F)C1 ZINC000110278386 186289318 /nfs/dbraw/zinc/28/93/18/186289318.db2.gz WCZSGSRDZRWQRJ-GFCCVEGCSA-N 1 0 295.427 2.380 10 0 CEAERO CCCOCc1noc(C[C@@H](CCC)[NH2+]CC)n1 ZINC000110445022 186296171 /nfs/dbraw/zinc/29/61/71/186296171.db2.gz AXCSCLHIXIUFSB-LLVKDONJSA-N 1 0 255.362 2.317 10 0 CEAERO CCN(C(=O)CC[C@@H]([NH3+])c1ccccc1)[C@@H](C)COC ZINC000110460408 186296902 /nfs/dbraw/zinc/29/69/02/186296902.db2.gz RVOCSCZAMWTUGY-DZGCQCFKSA-N 1 0 278.396 2.350 10 0 CEAERO Cc1cccc(-c2noc([C@@H]3CCCC[C@H]3[NH3+])n2)n1 ZINC000110476071 186297882 /nfs/dbraw/zinc/29/78/82/186297882.db2.gz RZJLZDUROKGGTC-GHMZBOCLSA-N 1 0 258.325 2.425 10 0 CEAERO CC[C@H]([NH3+])[C@H](O[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000110525577 186301225 /nfs/dbraw/zinc/30/12/25/186301225.db2.gz XLOKIHWMIVNVOD-HZSPNIEDSA-N 1 0 253.317 2.410 10 0 CEAERO [NH3+][C@@H](c1noc([C@H]2COc3ccccc3C2)n1)C1CC1 ZINC000110540927 186302837 /nfs/dbraw/zinc/30/28/37/186302837.db2.gz AWVYEGUOVXRSRX-DGCLKSJQSA-N 1 0 271.320 2.198 10 0 CEAERO C[C@](O)(c1ccc(F)c(F)c1F)[C@H]1CCC[NH2+]C1 ZINC000110552288 186303039 /nfs/dbraw/zinc/30/30/39/186303039.db2.gz FTUVLDWGGNXOPJ-ISVAXAHUSA-N 1 0 259.271 2.311 10 0 CEAERO C[C@](O)(c1ccc(F)c(F)c1F)[C@@H]1CCC[NH2+]C1 ZINC000110552282 186303129 /nfs/dbraw/zinc/30/31/29/186303129.db2.gz FTUVLDWGGNXOPJ-AMIZOPFISA-N 1 0 259.271 2.311 10 0 CEAERO C[C@H]1CCC[C@@H](NC(=O)Cc2ccc(C[NH3+])cc2)C1 ZINC000110612039 186305739 /nfs/dbraw/zinc/30/57/39/186305739.db2.gz PDCWVEJFNLPJJH-SWLSCSKDSA-N 1 0 260.381 2.383 10 0 CEAERO CN(C)c1ccc(NC(=O)Cc2ccc(C[NH3+])cc2)cc1 ZINC000110612324 186305902 /nfs/dbraw/zinc/30/59/02/186305902.db2.gz QXBGFQKDAZTPPB-UHFFFAOYSA-N 1 0 283.375 2.393 10 0 CEAERO CC(C)Oc1cc(N[C@H]2CC[N@H+](C)C2)c(N)cc1F ZINC000110638936 186307542 /nfs/dbraw/zinc/30/75/42/186307542.db2.gz FEHAYKOBJOJCFK-JTQLQIEISA-N 1 0 267.348 2.311 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Oc1ccccc1CO)C(F)(F)F ZINC000110993332 186341249 /nfs/dbraw/zinc/34/12/49/186341249.db2.gz CXTLHCRKDTYHQJ-MWLCHTKSSA-N 1 0 263.259 2.226 10 0 CEAERO C[C@H](NC(=O)C[NH2+]C(C)(C)C)c1cccc(F)c1 ZINC000110838376 186328054 /nfs/dbraw/zinc/32/80/54/186328054.db2.gz MFHBUABLBGWKJY-JTQLQIEISA-N 1 0 252.333 2.391 10 0 CEAERO CCCN[C@@](C)(C[N@H+](C)CC1CCCC1)C(=O)OC ZINC000110840938 186328970 /nfs/dbraw/zinc/32/89/70/186328970.db2.gz SMJOMQJHGAJHDS-HNNXBMFYSA-N 1 0 270.417 2.040 10 0 CEAERO C[C@H](C[NH+]1CCCC1)NCc1n[nH]nc1-c1ccccc1 ZINC000110925147 186333718 /nfs/dbraw/zinc/33/37/18/186333718.db2.gz XQGNPJYTNDXFCK-CYBMUJFWSA-N 1 0 285.395 2.046 10 0 CEAERO Cc1nnc(COc2cc(C)ccc2[C@@H](C)[NH3+])n1C ZINC000110957982 186336342 /nfs/dbraw/zinc/33/63/42/186336342.db2.gz GMYVHTOFWOVGNO-SNVBAGLBSA-N 1 0 260.341 2.031 10 0 CEAERO CCN(CC)C(=O)COc1cc(C)ccc1[C@@H](C)[NH3+] ZINC000110958617 186336427 /nfs/dbraw/zinc/33/64/27/186336427.db2.gz OJVRVPLKYBXEAE-GFCCVEGCSA-N 1 0 264.369 2.262 10 0 CEAERO Cc1ccc([C@@H](C)[NH3+])c(O[C@@H](C)C(=O)N2CCCC2)c1 ZINC000110957655 186336640 /nfs/dbraw/zinc/33/66/40/186336640.db2.gz SHGCRFYABLMFGU-OLZOCXBDSA-N 1 0 276.380 2.404 10 0 CEAERO CC(C)c1cc(NN)[nH+]c(Cc2nc3ccccc3[nH]2)n1 ZINC000110951261 186336724 /nfs/dbraw/zinc/33/67/24/186336724.db2.gz HCMOANJTQXLMSQ-UHFFFAOYSA-N 1 0 282.351 2.353 10 0 CEAERO CC[N@@H+]1CCN(C(=O)c2ccc3c(c2)CCCN3)C[C@H]1C ZINC000110741034 186318397 /nfs/dbraw/zinc/31/83/97/186318397.db2.gz SFZSUNFLUYQRCW-CYBMUJFWSA-N 1 0 287.407 2.211 10 0 CEAERO CC[C@H]1CN(C(=O)c2cccc3c2NCCC3)CC[N@@H+]1C ZINC000110759894 186322964 /nfs/dbraw/zinc/32/29/64/186322964.db2.gz AWBZZCWQIDIDDB-AWEZNQCLSA-N 1 0 287.407 2.211 10 0 CEAERO CC[NH2+]CCC(=O)Nc1sc(C)cc1C(=O)OCC ZINC000110777535 186323519 /nfs/dbraw/zinc/32/35/19/186323519.db2.gz GIQRMDCLGXWTIR-UHFFFAOYSA-N 1 0 284.381 2.171 10 0 CEAERO Cc1cc2c(ncnc2N(C)C[C@@H](C)C[NH3+])s1 ZINC000110779066 186324353 /nfs/dbraw/zinc/32/43/53/186324353.db2.gz VDFNQFDERQMZGL-QMMMGPOBSA-N 1 0 250.371 2.031 10 0 CEAERO O[C@H]1C[NH2+]C[C@H]1N(Cc1ccccc1)Cc1ccccc1 ZINC000111059474 186349084 /nfs/dbraw/zinc/34/90/84/186349084.db2.gz POYWMLPKXPAPGP-MSOLQXFVSA-N 1 0 282.387 2.022 10 0 CEAERO C[NH+]1CCC(OC(=O)c2c(N)cccc2Cl)CC1 ZINC000111013230 186343276 /nfs/dbraw/zinc/34/32/76/186343276.db2.gz VRVSDRVGSSHAEW-UHFFFAOYSA-N 1 0 268.744 2.173 10 0 CEAERO CC[C@@H]1CO[C@H](C)CN1[C@@H](C[NH3+])c1cccc(F)c1F ZINC000111039486 186346680 /nfs/dbraw/zinc/34/66/80/186346680.db2.gz NJMXZAWRKYWPBK-GYSYKLTISA-N 1 0 284.350 2.464 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccccn1)N(C)CC1CCOCC1 ZINC000111155606 186361646 /nfs/dbraw/zinc/36/16/46/186361646.db2.gz HTLHBYRVYIKJEP-ZBFHGGJFSA-N 1 0 277.412 2.218 10 0 CEAERO COc1ccc([C@@H](N)[C@H](C)[N@H+](C)C[C@@H]2CCCOC2)cc1 ZINC000111160649 186362022 /nfs/dbraw/zinc/36/20/22/186362022.db2.gz CARVKMHNBURYJH-ZQIUZPCESA-N 1 0 292.423 2.442 10 0 CEAERO C[C@@H]1CCCC[C@@]1(CN)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111157630 186362329 /nfs/dbraw/zinc/36/23/29/186362329.db2.gz COQMCGRJGMAFIR-ILXRZTDVSA-N 1 0 254.418 2.252 10 0 CEAERO CCOc1ccccc1[C@@H](C[NH3+])N(C)C[C@@H]1CCCOC1 ZINC000111157791 186362428 /nfs/dbraw/zinc/36/24/28/186362428.db2.gz JPVGUVPVIVLIMT-GOEBONIOSA-N 1 0 292.423 2.444 10 0 CEAERO CC(C)(C)S(=O)(=O)N[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC000111072778 186351351 /nfs/dbraw/zinc/35/13/51/186351351.db2.gz WYNDVXCJBWUCPP-LBPRGKRZSA-N 1 0 288.457 2.159 10 0 CEAERO O=c1[nH]c(C[NH2+]C[C@H]2C[C@H]3CC[C@@H]2C3)nc2ccccc21 ZINC000111089782 186351722 /nfs/dbraw/zinc/35/17/22/186351722.db2.gz ITGAMTGBCOVMQK-YNEHKIRRSA-N 1 0 283.375 2.449 10 0 CEAERO CCCOCCO[C@@H](C[NH2+]C)c1ccccc1OC ZINC000111107572 186352832 /nfs/dbraw/zinc/35/28/32/186352832.db2.gz SVUASXLZEYUEPF-HNNXBMFYSA-N 1 0 267.369 2.399 10 0 CEAERO CCOCC[N@H+](CC)[C@@H](C)C(=O)Nc1ccc(F)cc1N ZINC000111116492 186353684 /nfs/dbraw/zinc/35/36/84/186353684.db2.gz KDHGIUSFROSHME-NSHDSACASA-N 1 0 297.374 2.093 10 0 CEAERO CCOCCN(CC)Cc1cc(C[NH2+]C(C)(C)C)no1 ZINC000111123911 186354510 /nfs/dbraw/zinc/35/45/10/186354510.db2.gz VNIFMZRMJIFYJP-UHFFFAOYSA-N 1 0 283.416 2.421 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2OC[C@H]1N(CC)CCOCC ZINC000111118797 186354853 /nfs/dbraw/zinc/35/48/53/186354853.db2.gz IJRQABORGDIOBJ-NVXWUHKLSA-N 1 0 292.423 2.457 10 0 CEAERO CCOCCN(CC)[C@](C)(C[NH3+])Cc1ccccc1OC ZINC000111117833 186355208 /nfs/dbraw/zinc/35/52/08/186355208.db2.gz CTXFNGDINDBFHT-KRWDZBQOSA-N 1 0 294.439 2.314 10 0 CEAERO CCOCCN(CC)c1ccc(C[NH2+]C(C)C)cn1 ZINC000111123562 186355433 /nfs/dbraw/zinc/35/54/33/186355433.db2.gz YBAXGOBSIXCXFC-UHFFFAOYSA-N 1 0 265.401 2.442 10 0 CEAERO CCOCCN(CC)C[C@H]([NH3+])c1ccc(OC)c(OC)c1 ZINC000111119097 186355639 /nfs/dbraw/zinc/35/56/39/186355639.db2.gz ZXPNHQZLCRRDRO-AWEZNQCLSA-N 1 0 296.411 2.062 10 0 CEAERO CN(C[C@H]1CCCOC1)[C@@H](C[NH3+])c1cccc(F)c1 ZINC000111154144 186359880 /nfs/dbraw/zinc/35/98/80/186359880.db2.gz HHXNWKHVQQCBIA-DOMZBBRYSA-N 1 0 266.360 2.184 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccccn1)N(C)C[C@@H]1CCCOC1 ZINC000111154174 186360092 /nfs/dbraw/zinc/36/00/92/186360092.db2.gz BWFAMOVHZPDHSH-DZKIICNBSA-N 1 0 277.412 2.218 10 0 CEAERO Cc1cc(C)c(C[NH3+])c(N(C)C[C@@H]2CCCOC2)n1 ZINC000111153696 186360137 /nfs/dbraw/zinc/36/01/37/186360137.db2.gz FKNBCKNBPTZQEI-ZDUSSCGKSA-N 1 0 263.385 2.020 10 0 CEAERO C[C@@H]1CC[C@@H](CNC(=O)[C@@H]2CCOc3ccccc32)C[NH2+]1 ZINC000111186410 186367579 /nfs/dbraw/zinc/36/75/79/186367579.db2.gz QPFLRRXBHRNHPA-UMVBOHGHSA-N 1 0 288.391 2.057 10 0 CEAERO C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCOc2ccccc21 ZINC000111189016 186368000 /nfs/dbraw/zinc/36/80/00/186368000.db2.gz UXEGUPRZLCVKMT-DZGCQCFKSA-N 1 0 288.391 2.153 10 0 CEAERO CC[NH2+][C@H](CN(C)CC1CCOCC1)C(C)(C)C ZINC000111162161 186364225 /nfs/dbraw/zinc/36/42/25/186364225.db2.gz KWJLDAYGGPFSSW-CQSZACIVSA-N 1 0 256.434 2.369 10 0 CEAERO CN(CC1CCOCC1)c1cccc(Cl)c1C(N)=[NH2+] ZINC000111164047 186364290 /nfs/dbraw/zinc/36/42/90/186364290.db2.gz GONAXHXFOOPNOA-UHFFFAOYSA-N 1 0 281.787 2.487 10 0 CEAERO C[NH2+]Cc1nc(N(C)C[C@H]2CCCOC2)ccc1Cl ZINC000111173954 186364892 /nfs/dbraw/zinc/36/48/92/186364892.db2.gz WDXQYMQQIDPOJH-LLVKDONJSA-N 1 0 283.803 2.317 10 0 CEAERO CN(C[C@@H]1CCCOC1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000111179921 186366170 /nfs/dbraw/zinc/36/61/70/186366170.db2.gz OWUHWSKMHQCJDJ-ZDUSSCGKSA-N 1 0 277.368 2.036 10 0 CEAERO c1coc(COCCC[NH2+]C[C@@H]2CCCOC2)c1 ZINC000111318011 186395418 /nfs/dbraw/zinc/39/54/18/186395418.db2.gz QATKAQLTZIKASD-ZDUSSCGKSA-N 1 0 253.342 2.203 10 0 CEAERO CN(C)C[C@@H]([NH2+]C[C@H]1CCCOC1)c1ccccc1 ZINC000111317915 186396190 /nfs/dbraw/zinc/39/61/90/186396190.db2.gz BDGLWCMWTQOALV-GDBMZVCRSA-N 1 0 262.397 2.306 10 0 CEAERO CC(C)C[NH2+]C[C@@]1(CN2C[C@@H](C)O[C@@H](C)C2)CCCOC1 ZINC000111323819 186396855 /nfs/dbraw/zinc/39/68/55/186396855.db2.gz OSWOBOOGRZOTLM-IXDOHACOSA-N 1 0 298.471 2.138 10 0 CEAERO C[C@@H]1CCCC[C@H]1[N@H+](C)[C@@H](CN)[C@@H]1CCCOC1 ZINC000111321008 186396952 /nfs/dbraw/zinc/39/69/52/186396952.db2.gz IBGSANRUDNXLGR-TUVASFSCSA-N 1 0 254.418 2.251 10 0 CEAERO CCC1(C)CC[NH+]([C@H](CN)[C@@H]2CCCOC2)CC1 ZINC000111321257 186396960 /nfs/dbraw/zinc/39/69/60/186396960.db2.gz DJRHYUJSQFWNFA-ZIAGYGMSSA-N 1 0 254.418 2.252 10 0 CEAERO Cc1ccccc1CN(C)[C@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111320795 186397902 /nfs/dbraw/zinc/39/79/02/186397902.db2.gz AJENIMAQPIOWKE-HZPDHXFCSA-N 1 0 262.397 2.181 10 0 CEAERO C[NH2+]C[C@@]1(CN(C)c2cccc(OC)c2)CCCOC1 ZINC000111326788 186398347 /nfs/dbraw/zinc/39/83/47/186398347.db2.gz UCWOIEDSRKOMPB-MRXNPFEDSA-N 1 0 278.396 2.148 10 0 CEAERO CCC[NH2+]C[C@]1(CN(C)Cc2cscn2)CCCOC1 ZINC000111326273 186398858 /nfs/dbraw/zinc/39/88/58/186398858.db2.gz PAMLBGAPKZZMMG-HNNXBMFYSA-N 1 0 297.468 2.371 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1c1nc(Cc2cc(F)cc(F)c2)no1 ZINC000111256534 186379442 /nfs/dbraw/zinc/37/94/42/186379442.db2.gz SGMSINKEEDEKPC-QPUJVOFHSA-N 1 0 279.290 2.262 10 0 CEAERO COc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)cc1Cl ZINC000111262842 186380340 /nfs/dbraw/zinc/38/03/40/186380340.db2.gz VWFZQTPXHTZQSE-PSASIEDQSA-N 1 0 268.744 2.143 10 0 CEAERO COc1ccc(C)cc1[C@@H](C)NC(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000111265222 186381229 /nfs/dbraw/zinc/38/12/29/186381229.db2.gz HRBBVFMDQOIWRG-SCRDCRAPSA-N 1 0 276.380 2.036 10 0 CEAERO Cc1cc([C@H](C)NC(=O)[C@@H]2C[NH2+]C[C@@H]2C)c(C)s1 ZINC000111264377 186381491 /nfs/dbraw/zinc/38/14/91/186381491.db2.gz KZYZDJBRMAFMJX-GMOODISLSA-N 1 0 266.410 2.398 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000111267546 186382392 /nfs/dbraw/zinc/38/23/92/186382392.db2.gz GZOXNSJRPDINOB-IONNQARKSA-N 1 0 288.269 2.221 10 0 CEAERO CC[C@@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1C)c1ccc(OC)cc1 ZINC000111266149 186382812 /nfs/dbraw/zinc/38/28/12/186382812.db2.gz MRFKPHOEAROXIF-TUKIKUTGSA-N 1 0 276.380 2.118 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@@H]2C[NH2+]C[C@@H]2C)s1 ZINC000111271835 186384126 /nfs/dbraw/zinc/38/41/26/186384126.db2.gz YPHLYFWIPDQZFU-INTQDDNPSA-N 1 0 252.383 2.089 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC2(CCCC2)CC1 ZINC000111272820 186385158 /nfs/dbraw/zinc/38/51/58/186385158.db2.gz OJQRBEMXLUYOMA-STQMWFEESA-N 1 0 250.386 2.025 10 0 CEAERO Cc1ccnc2[nH]c([C@H]([NH3+])Cc3ccc(O)cc3)nc21 ZINC000111279976 186388166 /nfs/dbraw/zinc/38/81/66/186388166.db2.gz MFRYXGXAJPQAOU-GFCCVEGCSA-N 1 0 268.320 2.214 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)c1ccc2cc[nH]c2c1 ZINC000111288945 186391128 /nfs/dbraw/zinc/39/11/28/186391128.db2.gz DPTYBDAAMYFNIY-STQMWFEESA-N 1 0 257.337 2.168 10 0 CEAERO CCc1c(Cl)ncnc1NC[C@H]1CC[N@H+](C)C1 ZINC000111296637 186392326 /nfs/dbraw/zinc/39/23/26/186392326.db2.gz ZMGAOJJJCXENJE-SECBINFHSA-N 1 0 254.765 2.056 10 0 CEAERO Cc1c(Cl)ncnc1NCC[NH+]1CCCCC1 ZINC000111298069 186392551 /nfs/dbraw/zinc/39/25/51/186392551.db2.gz QMQDYKGWTLRNOK-UHFFFAOYSA-N 1 0 254.765 2.336 10 0 CEAERO CC[C@H]([NH3+])Cc1c(C)nn(C)c1N(C)Cc1ccco1 ZINC000111492855 186423443 /nfs/dbraw/zinc/42/34/43/186423443.db2.gz JSZGLDISDPAQBB-LBPRGKRZSA-N 1 0 276.384 2.238 10 0 CEAERO C[C@H]([NH3+])Cc1c(N2CCC(C)CC2)nc2ccccn21 ZINC000111486862 186423655 /nfs/dbraw/zinc/42/36/55/186423655.db2.gz OONAYNBLADHTHR-ZDUSSCGKSA-N 1 0 272.396 2.460 10 0 CEAERO COc1cccc(N(C)c2c(C[C@H](C)[NH3+])c(C)nn2C)c1 ZINC000111503828 186425343 /nfs/dbraw/zinc/42/53/43/186425343.db2.gz ZEVLVXAUVPHFPR-NSHDSACASA-N 1 0 288.395 2.395 10 0 CEAERO c1nc(CN2CCC[C@H](C[NH2+]C3CC3)C2)cs1 ZINC000111699488 186447045 /nfs/dbraw/zinc/44/70/45/186447045.db2.gz JGEZWLDMDXITIY-LLVKDONJSA-N 1 0 251.399 2.107 10 0 CEAERO CCCC[C@@H](COC)[NH2+][C@H](C)c1nnc2n1CCCC2 ZINC000131024342 366013434 /nfs/dbraw/zinc/01/34/34/366013434.db2.gz BIDGRZKGGSXNMT-OLZOCXBDSA-N 1 0 280.416 2.470 10 0 CEAERO CCC(CC)(C[NH3+])Nc1ccccc1S(C)(=O)=O ZINC000111823081 186460478 /nfs/dbraw/zinc/46/04/78/186460478.db2.gz XKCBQBNOVXLAKG-UHFFFAOYSA-N 1 0 270.398 2.020 10 0 CEAERO [NH3+][C@@H]1Cc2ccccc2[C@@H]1NC(=O)Cc1ccc(F)cc1 ZINC000111367300 186406633 /nfs/dbraw/zinc/40/66/33/186406633.db2.gz LKGXSQWHFPLJBB-WBVHZDCISA-N 1 0 284.334 2.109 10 0 CEAERO C[C@H]1CCC[C@@](C[NH3+])(NC(=O)c2cccc(N(C)C)c2)C1 ZINC000111369847 186407414 /nfs/dbraw/zinc/40/74/14/186407414.db2.gz YIKGICGLEQCVHQ-SUMWQHHRSA-N 1 0 289.423 2.390 10 0 CEAERO [NH3+]CC[C@H]1CCCN(c2ncnc3sccc32)C1 ZINC000070074047 363027271 /nfs/dbraw/zinc/02/72/71/363027271.db2.gz CNVRCKUZJISWCM-SNVBAGLBSA-N 1 0 262.382 2.257 10 0 CEAERO CCN(Cc1ccoc1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000629599231 351427670 /nfs/dbraw/zinc/42/76/70/351427670.db2.gz AOCHSPGMIAHEAO-GFCCVEGCSA-N 1 0 250.342 2.018 10 0 CEAERO CCCCCC[NH2+][C@@H](C)C(=O)NCc1ccco1 ZINC000070192515 363052072 /nfs/dbraw/zinc/05/20/72/363052072.db2.gz UUGBZFHMACLZEE-LBPRGKRZSA-N 1 0 252.358 2.454 10 0 CEAERO CCN(CC1CC1)C(=O)C(C)(C)[C@H]1CCC[NH2+]C1 ZINC000119846626 186856317 /nfs/dbraw/zinc/85/63/17/186856317.db2.gz WIVGVYGXYVOOIY-ZDUSSCGKSA-N 1 0 252.402 2.271 10 0 CEAERO CCCc1cc(N2CCC([NH3+])CC2)nc(-c2ccncc2)n1 ZINC000070451843 363083723 /nfs/dbraw/zinc/08/37/23/363083723.db2.gz RPVGEHJEOHNVSC-UHFFFAOYSA-N 1 0 297.406 2.419 10 0 CEAERO Cc1cc(CN2C[C@H](C)[C@H]([NH+](C)C)C2)cc(C)c1O ZINC000131478060 366058823 /nfs/dbraw/zinc/05/88/23/366058823.db2.gz WWDXXOAGLXFMIQ-DZGCQCFKSA-N 1 0 262.397 2.391 10 0 CEAERO CO[C@H]1CN(Cc2cccc(Cl)c2)[C@@](C)(C[NH3+])C1 ZINC000630355823 351710116 /nfs/dbraw/zinc/71/01/16/351710116.db2.gz LITFMDMRDCODIM-ZIAGYGMSSA-N 1 0 268.788 2.278 10 0 CEAERO Cc1nc(-c2ccc(F)cc2)nc(N2CC[C@H]([NH3+])C2)c1C ZINC000070455949 363085276 /nfs/dbraw/zinc/08/52/76/363085276.db2.gz NPWYHUXTLULRPY-AWEZNQCLSA-N 1 0 286.354 2.437 10 0 CEAERO Cc1cnc(N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)nc1C ZINC000630525276 351772489 /nfs/dbraw/zinc/77/24/89/351772489.db2.gz CWGGQKQTUMLFIT-QWRGUYRKSA-N 1 0 288.317 2.057 10 0 CEAERO CCc1nsc(N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)n1 ZINC000630526980 351773197 /nfs/dbraw/zinc/77/31/97/351773197.db2.gz PCHKMJQLKKCLKF-HTQZYQBOSA-N 1 0 294.346 2.064 10 0 CEAERO Cc1cnc(C)c(N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)n1 ZINC000630526184 351773336 /nfs/dbraw/zinc/77/33/36/351773336.db2.gz AWIPWGVLNQMKPS-GHMZBOCLSA-N 1 0 288.317 2.057 10 0 CEAERO Cc1ccnc(N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000630530123 351773727 /nfs/dbraw/zinc/77/37/27/351773727.db2.gz YKGXROBLCQJEMN-MNOVXSKESA-N 1 0 273.302 2.354 10 0 CEAERO [NH3+]C[C@@H]1CCCN1C(=O)CCCc1cccs1 ZINC000122333203 187027666 /nfs/dbraw/zinc/02/76/66/187027666.db2.gz IYVONLOSYHUGRH-NSHDSACASA-N 1 0 252.383 2.021 10 0 CEAERO C[C@@H]1CN(Cc2cccnc2Cl)C[C@@H]1[NH+](C)C ZINC000124118404 187122563 /nfs/dbraw/zinc/12/25/63/187122563.db2.gz AZACXXCJQROFGV-PWSUYJOCSA-N 1 0 253.777 2.117 10 0 CEAERO CCCn1cc(CN(C)C[C@@H]2CCC[N@@H+]2CC)cn1 ZINC000123408604 187089924 /nfs/dbraw/zinc/08/99/24/187089924.db2.gz RRMJFLMYLVDBKF-HNNXBMFYSA-N 1 0 264.417 2.209 10 0 CEAERO C[C@H](C[NH2+][C@@H]1CCCc2ccccc21)N1CCOCC1 ZINC000123484804 187094984 /nfs/dbraw/zinc/09/49/84/187094984.db2.gz LWUILIVHXSJHNE-RHSMWYFYSA-N 1 0 274.408 2.374 10 0 CEAERO COc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CCOCC2)cc1 ZINC000123486567 187095145 /nfs/dbraw/zinc/09/51/45/187095145.db2.gz FKFFPJDOOTWHLQ-UONOGXRCSA-N 1 0 278.396 2.067 10 0 CEAERO CC(=O)c1c(F)cccc1N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000123996022 187117565 /nfs/dbraw/zinc/11/75/65/187117565.db2.gz RTYFPPHCCHRDDX-YGRLFVJLSA-N 1 0 264.344 2.415 10 0 CEAERO [NH3+][C@H]1CCC[C@H](C(=O)NCCCOC2CCCCC2)C1 ZINC000070577493 363098340 /nfs/dbraw/zinc/09/83/40/363098340.db2.gz FZBSOGHGNQWDDE-KBPBESRZSA-N 1 0 282.428 2.360 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CC[NH2+][C@H]1C)c1ccc(F)cc1F ZINC000092951844 539831447 /nfs/dbraw/zinc/83/14/47/539831447.db2.gz ZTEZQPDQQIKJBN-HOTUBEGUSA-N 1 0 268.307 2.140 10 0 CEAERO CCO[C@H]1C[C@H]([NH3+])C12CCN(C(=O)OC(C)(C)C)CC2 ZINC000071373434 363109595 /nfs/dbraw/zinc/10/95/95/363109595.db2.gz PFTNAMMYIVNWTD-RYUDHWBXSA-N 1 0 284.400 2.140 10 0 CEAERO CCc1ccc(O)c(NC(=O)C2CCC([NH3+])CC2)c1 ZINC000094575079 539882769 /nfs/dbraw/zinc/88/27/69/539882769.db2.gz SXELWMPPIFQLDQ-UHFFFAOYSA-N 1 0 262.353 2.411 10 0 CEAERO Cc1ncc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)s1 ZINC000152207132 539875151 /nfs/dbraw/zinc/87/51/51/539875151.db2.gz KFGSEFKJSUBPPD-CYBMUJFWSA-N 1 0 275.377 2.500 10 0 CEAERO CC(C)Oc1cc(N(C)CC[C@H]([NH3+])C(C)C)ncn1 ZINC000133631489 187697491 /nfs/dbraw/zinc/69/74/91/187697491.db2.gz ACODRHISCDLCDT-LBPRGKRZSA-N 1 0 266.389 2.073 10 0 CEAERO COc1ccc(F)c(NC(=O)[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000094855298 539886799 /nfs/dbraw/zinc/88/67/99/539886799.db2.gz QEKPPSQMNDWHJB-ONGXEEELSA-N 1 0 266.316 2.148 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@H](C)c2ccc(F)c(OC)c2)C1 ZINC000252728967 539896276 /nfs/dbraw/zinc/89/62/76/539896276.db2.gz DPZGPXYKYBSKMJ-OCCSQVGLSA-N 1 0 296.386 2.206 10 0 CEAERO CCC([NH3+])(CC)CN1CCN(c2ccccc2)CC1 ZINC000094245892 535182238 /nfs/dbraw/zinc/18/22/38/535182238.db2.gz ATCTWAJNPDJWCB-UHFFFAOYSA-N 1 0 261.413 2.326 10 0 CEAERO CCc1cccc(OCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000073106171 363197742 /nfs/dbraw/zinc/19/77/42/363197742.db2.gz CXSLAJFQGLFVRH-MRXNPFEDSA-N 1 0 290.407 2.180 10 0 CEAERO [NH3+]CCOc1ccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000249975053 539963340 /nfs/dbraw/zinc/96/33/40/539963340.db2.gz BJDREOPYSBJFDP-ZSBIGDGJSA-N 1 0 260.337 2.009 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000251078204 539971859 /nfs/dbraw/zinc/97/18/59/539971859.db2.gz GPOHAAVEYYIIOR-RFGFWPKPSA-N 1 0 250.386 2.153 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccsc2)[C@@H](C)C1 ZINC000155817006 188228920 /nfs/dbraw/zinc/22/89/20/188228920.db2.gz ZWIMBXSOHOTJHG-JQWIXIFHSA-N 1 0 252.383 2.207 10 0 CEAERO c1csc([C@H]2CN(CC[NH+]3CCCCC3)CCO2)n1 ZINC000132346183 366137520 /nfs/dbraw/zinc/13/75/20/366137520.db2.gz ADPFHKOSJJFJPH-CYBMUJFWSA-N 1 0 281.425 2.002 10 0 CEAERO CC(C)(C)OC(=O)N1CC(c2nccs2)=C[C@@H]([NH3+])C1 ZINC000675079476 540119539 /nfs/dbraw/zinc/11/95/39/540119539.db2.gz ZLDBMUWOCWCXMS-SNVBAGLBSA-N 1 0 281.381 2.105 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@@]2(CC1)OCC[C@@H]2C[NH3+] ZINC000675080436 540119800 /nfs/dbraw/zinc/11/98/00/540119800.db2.gz QOXGVRKVDHHCOR-DOMZBBRYSA-N 1 0 284.400 2.141 10 0 CEAERO [NH3+]CCc1cnnn1-c1cccc(Cl)c1Cl ZINC000084607576 540128644 /nfs/dbraw/zinc/12/86/44/540128644.db2.gz KFRGVUUWFBQDCE-UHFFFAOYSA-N 1 0 257.124 2.075 10 0 CEAERO Cc1cccc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000037489793 540131287 /nfs/dbraw/zinc/13/12/87/540131287.db2.gz VQHIEQRDYCBZGO-HZPDHXFCSA-N 1 0 260.381 2.030 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)N1CCC2(CC2(F)F)CC1 ZINC000405097411 540132288 /nfs/dbraw/zinc/13/22/88/540132288.db2.gz FLJQUPFWXBKCDI-LLVKDONJSA-N 1 0 272.339 2.024 10 0 CEAERO Brc1cncc(N[C@H]2CCC[NH2+]C2)c1 ZINC000261527383 540147998 /nfs/dbraw/zinc/14/79/98/540147998.db2.gz AJKGZFTXAADTPX-VIFPVBQESA-N 1 0 256.147 2.008 10 0 CEAERO CCOCCC1(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCC1 ZINC000261740730 540150833 /nfs/dbraw/zinc/15/08/33/540150833.db2.gz LRGDAIATJTUXPM-ZIAGYGMSSA-N 1 0 282.428 2.075 10 0 CEAERO Cc1[nH]c2ccc(C(=O)N3CC[C@@H]([NH3+])[C@@H]3C)cc2c1C ZINC000383572664 540185993 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ZINC000388840944 540332576 /nfs/dbraw/zinc/33/25/76/540332576.db2.gz YBOFCUSRNRWCGO-HOCLYGCPSA-N 1 0 264.413 2.347 10 0 CEAERO C[C@@H]1COC[C@H](C)[N@H+]1CCC(=O)N(C)c1ccccc1 ZINC000135096191 366394532 /nfs/dbraw/zinc/39/45/32/366394532.db2.gz ROOPRTYXHPQMAS-OKILXGFUSA-N 1 0 276.380 2.149 10 0 CEAERO COc1cc(OC)c(NC(=O)[C@]2(C)CCC[NH2+]2)cc1Cl ZINC000079510460 363611133 /nfs/dbraw/zinc/61/11/33/363611133.db2.gz JOPYJZPSEGCPJT-AWEZNQCLSA-N 1 0 298.770 2.438 10 0 CEAERO C[C@@]1(C(=O)N(Cc2ccccc2)C2CC2)CCC[NH2+]1 ZINC000079511899 363611425 /nfs/dbraw/zinc/61/14/25/363611425.db2.gz OFSNWVQXXLYZKY-INIZCTEOSA-N 1 0 258.365 2.320 10 0 CEAERO CCN(CC)c1ccc(NC(=O)[C@@]2(C)CCC[NH2+]2)cn1 ZINC000079514426 363611476 /nfs/dbraw/zinc/61/14/76/363611476.db2.gz MIOOHUSHROJAIQ-OAHLLOKOSA-N 1 0 276.384 2.008 10 0 CEAERO CCc1nc(NC(=O)[C@@]2(C)CCC[NH2+]2)sc1C ZINC000079520347 363612252 /nfs/dbraw/zinc/61/22/52/363612252.db2.gz CXIRDGKWZGONLF-GFCCVEGCSA-N 1 0 253.371 2.095 10 0 CEAERO C[C@@H]1C[C@H]([NH2+][C@H](CN(C)C)c2ccccc2)[C@H](C)O1 ZINC000294945933 199265238 /nfs/dbraw/zinc/26/52/38/199265238.db2.gz AGEMJCLGJCTUOM-BFJAYTPKSA-N 1 0 262.397 2.445 10 0 CEAERO COc1cccc(C[NH2+][C@H]2CCCCC[C@@H]2O)c1OC ZINC000135658389 366464526 /nfs/dbraw/zinc/46/45/26/366464526.db2.gz QWCJEYGGTBJZSL-KBPBESRZSA-N 1 0 279.380 2.487 10 0 CEAERO C[C@H]1Cc2ccccc2CN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261722838 291165576 /nfs/dbraw/zinc/16/55/76/291165576.db2.gz KIKKAXUKDMGYQA-JGGQBBKZSA-N 1 0 272.392 2.335 10 0 CEAERO Cc1cccc([C@@H](C)NC[C@@H](O)C[N@@H+](C)C(C)C)c1 ZINC000311773786 540457863 /nfs/dbraw/zinc/45/78/63/540457863.db2.gz YBOFCUSRNRWCGO-GDBMZVCRSA-N 1 0 264.413 2.347 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CCCC12CCCCC2 ZINC000312967294 540463197 /nfs/dbraw/zinc/46/31/97/540463197.db2.gz DGIDDGNBNLFPIY-MCIONIFRSA-N 1 0 264.413 2.461 10 0 CEAERO C[C@H](O)C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[C@@H](O)C1 ZINC000310928567 540449037 /nfs/dbraw/zinc/44/90/37/540449037.db2.gz DRSDNXBMKZTIFQ-ZQDZILKHSA-N 1 0 255.402 2.163 10 0 CEAERO [NH3+]CCNc1ncc(Br)c2ccccc21 ZINC000019721362 283440168 /nfs/dbraw/zinc/44/01/68/283440168.db2.gz QNLFQDOWAVEQGY-UHFFFAOYSA-N 1 0 266.142 2.368 10 0 CEAERO [NH3+]CC[C@@H]1CCCN(c2ccc(C(F)(F)F)nn2)C1 ZINC000167117430 283443633 /nfs/dbraw/zinc/44/36/33/283443633.db2.gz CXLQCJNLQBPLRH-VIFPVBQESA-N 1 0 274.290 2.061 10 0 CEAERO CO[C@@H]1CCC[C@@H]1CNc1cncc(-n2ccnc2C)n1 ZINC000329332645 202287190 /nfs/dbraw/zinc/28/71/90/202287190.db2.gz WTMPOYJZISMCPE-CHWSQXEVSA-N 1 0 287.367 2.198 10 0 CEAERO Cc1nn(C)cc1C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000148858048 366585331 /nfs/dbraw/zinc/58/53/31/366585331.db2.gz QKDZIOMSYUBFFZ-NSHDSACASA-N 1 0 287.363 2.351 10 0 CEAERO CCN1CCC[C@H]([NH2+]Cc2sc(C)nc2C)C1 ZINC000080694025 363679219 /nfs/dbraw/zinc/67/92/19/363679219.db2.gz WMXKGXLBVWMFAG-LBPRGKRZSA-N 1 0 253.415 2.334 10 0 CEAERO C[C@H](NC[C@@H](O)C[NH+]1CCCCC1)c1cccnc1Cl ZINC000151277648 366636039 /nfs/dbraw/zinc/63/60/39/366636039.db2.gz BWCJZAWATYGCLA-QWHCGFSZSA-N 1 0 297.830 2.232 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1oc(C)cc1C ZINC000177030948 189022910 /nfs/dbraw/zinc/02/29/10/189022910.db2.gz YAMNXNDHKFUJNT-ZDUSSCGKSA-N 1 0 264.369 2.453 10 0 CEAERO COc1cccc([C@H](C)[NH2+]C[C@@H](C)N2CCOCC2)c1 ZINC000177199143 189036206 /nfs/dbraw/zinc/03/62/06/189036206.db2.gz NWSRGVXHWBBTPV-KGLIPLIRSA-N 1 0 278.396 2.067 10 0 CEAERO Cc1ccc(C)c(C[N@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000177217074 189037761 /nfs/dbraw/zinc/03/77/61/189037761.db2.gz VDEYYPFVLFGCKZ-SJLPKXTDSA-N 1 0 288.435 2.456 10 0 CEAERO [NH3+]CC[C@@H]1CCCN(c2nccc(C(F)(F)F)n2)C1 ZINC000081587152 363732953 /nfs/dbraw/zinc/73/29/53/363732953.db2.gz QYBATOMBQHJZEW-VIFPVBQESA-N 1 0 274.290 2.061 10 0 CEAERO COc1cccc([C@@H](C)CC(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000177646600 189061017 /nfs/dbraw/zinc/06/10/17/189061017.db2.gz XHTDNFBBCJKARA-ZFWWWQNUSA-N 1 0 290.407 2.351 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000177696868 189063864 /nfs/dbraw/zinc/06/38/64/189063864.db2.gz IGASTTOZIXNEAZ-GOEBONIOSA-N 1 0 289.423 2.430 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CCc3c2cc(F)cc3F)C1 ZINC000335176662 283571723 /nfs/dbraw/zinc/57/17/23/283571723.db2.gz KEBXVSCTLGVQEW-GHMZBOCLSA-N 1 0 295.333 2.307 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261651757 283585518 /nfs/dbraw/zinc/58/55/18/283585518.db2.gz DOFJOUBRTAOXGM-IGQOVBAYSA-N 1 0 250.386 2.153 10 0 CEAERO CC[N@H+](CC(=O)N[C@H](C)COCc1ccccc1)C1CC1 ZINC000179177088 189175361 /nfs/dbraw/zinc/17/53/61/189175361.db2.gz UKKNSNZUPGTTDB-CQSZACIVSA-N 1 0 290.407 2.192 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(c3ccc4ccccc4n3)C[C@@H]12 ZINC000261581119 283596711 /nfs/dbraw/zinc/59/67/11/283596711.db2.gz FUAPJBWEXOKKCE-MGPQQGTHSA-N 1 0 253.349 2.408 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cnc3ccc(F)cc3c2)C1 ZINC000179321635 189186096 /nfs/dbraw/zinc/18/60/96/189186096.db2.gz QOTDAGLEPWFKKU-CQSZACIVSA-N 1 0 287.338 2.150 10 0 CEAERO CC(C)n1cc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)nn1 ZINC000342174093 216246504 /nfs/dbraw/zinc/24/65/04/216246504.db2.gz UOXBPJJKSFYLFA-CLLJXQQHSA-N 1 0 266.389 2.152 10 0 CEAERO CC[C@@H](C)Oc1cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)ccn1 ZINC000180253624 189246761 /nfs/dbraw/zinc/24/67/61/189246761.db2.gz XHVUTZXLUFLQMW-TZMCWYRMSA-N 1 0 291.395 2.035 10 0 CEAERO CCCCNc1ccc(C(=O)OCC[NH+](C)C)c(O)c1 ZINC000001999318 361225255 /nfs/dbraw/zinc/22/52/55/361225255.db2.gz DHCUQNSUUYMFGX-UHFFFAOYSA-N 1 0 280.368 2.323 10 0 in-man CEAERO CCSCC[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152454901 366696612 /nfs/dbraw/zinc/69/66/12/366696612.db2.gz SLLREXYKFOBBAZ-CYBMUJFWSA-N 1 0 252.383 2.288 10 0 CEAERO O=C(Nc1ccnc(Cl)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000181918902 189310451 /nfs/dbraw/zinc/31/04/51/189310451.db2.gz PVACNQOXJJKWEB-NSHDSACASA-N 1 0 280.759 2.047 10 0 CEAERO CCCC[N@H+](CCCO)C[C@](C)(O)c1ccccc1 ZINC000182158128 189315563 /nfs/dbraw/zinc/31/55/63/189315563.db2.gz KCXMEEHKGDOIOT-INIZCTEOSA-N 1 0 265.397 2.379 10 0 CEAERO Cc1ccccc1NS(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000011849291 361365698 /nfs/dbraw/zinc/36/56/98/361365698.db2.gz XRDMDSRFOCZRTP-UHFFFAOYSA-N 1 0 276.361 2.255 10 0 CEAERO COc1cccc2c1CC[N@H+](C[C@H](O)COC(C)(C)C)C2 ZINC000182667640 189330967 /nfs/dbraw/zinc/33/09/67/189330967.db2.gz TYJSJYSDWXWMQQ-AWEZNQCLSA-N 1 0 293.407 2.229 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Cl)nc1 ZINC000083550271 363778381 /nfs/dbraw/zinc/77/83/81/363778381.db2.gz BJVCRCNVOZVOCJ-CMPLNLGQSA-N 1 0 279.771 2.044 10 0 CEAERO Cc1noc(C)c1[C@@H](C)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000153993202 366749967 /nfs/dbraw/zinc/74/99/67/366749967.db2.gz GMNGGBLFXGPIFY-BXUZGUMPSA-N 1 0 295.427 2.487 10 0 CEAERO C[C@H]1CC[C@H](C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)O1 ZINC000155078688 366806004 /nfs/dbraw/zinc/80/60/04/366806004.db2.gz XSPBIZSLOITKGX-BHDPWAOGSA-N 1 0 294.439 2.277 10 0 CEAERO Cc1cccc2c(NCCN3CCOCC3)cc[nH+]c12 ZINC000301683883 201136468 /nfs/dbraw/zinc/13/64/68/201136468.db2.gz SZDPZBSQWLKZAR-UHFFFAOYSA-N 1 0 271.364 2.287 10 0 CEAERO C[NH+](C)C[C@@H]1CN(CCc2ccccc2Cl)CCO1 ZINC000155360109 366817067 /nfs/dbraw/zinc/81/70/67/366817067.db2.gz PTCLNTUFKRMCES-CQSZACIVSA-N 1 0 282.815 2.145 10 0 CEAERO CCC[N@@H+]1CCC[C@H](c2cccc3[nH]c(=O)[nH]c32)C1 ZINC000013884998 361443918 /nfs/dbraw/zinc/44/39/18/361443918.db2.gz HCSVLTDRVZVWRM-NSHDSACASA-N 1 0 259.353 2.446 10 0 CEAERO O=C(OCCC[NH+]1CCSCC1)c1ccccc1 ZINC000014982945 361463547 /nfs/dbraw/zinc/46/35/47/361463547.db2.gz JVRLCIBFPLTMHS-UHFFFAOYSA-N 1 0 265.378 2.282 10 0 CEAERO C[NH+](C)[C@@H]1CC[C@@H](Nc2ncc(Br)cn2)C1 ZINC000301915348 201261808 /nfs/dbraw/zinc/26/18/08/201261808.db2.gz GJWBECFOWMMDRD-NXEZZACHSA-N 1 0 285.189 2.134 10 0 CEAERO CCc1nsc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2CC)n1 ZINC000301950449 201275001 /nfs/dbraw/zinc/27/50/01/201275001.db2.gz GQSXYKWHASHQTP-QWRGUYRKSA-N 1 0 266.414 2.164 10 0 CEAERO CO[C@@]12CCC(=O)C[C@@]13CC[N@H+](C)[C@@H]2Cc1ccccc13 ZINC000029339118 361683548 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Cc1nc(CN2CCC[N@H+](C[C@@H]3CC=CCC3)CC2)no1 ZINC000245503511 370829347 /nfs/dbraw/zinc/82/93/47/370829347.db2.gz IFTHUUNVMMWIJS-OAHLLOKOSA-N 1 0 290.411 2.242 10 0 CEAERO C[C@@H]1CCC[C@H](C[N@@H+]2CCO[C@@H](Cn3cccn3)C2)C1 ZINC000245605641 370848633 /nfs/dbraw/zinc/84/86/33/370848633.db2.gz MGEULEDXIREOHZ-OWCLPIDISA-N 1 0 277.412 2.410 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cc(F)cc3cccnc32)C1 ZINC000163244627 367226244 /nfs/dbraw/zinc/22/62/44/367226244.db2.gz HWTYFYQBWXWZNC-CYBMUJFWSA-N 1 0 287.338 2.150 10 0 CEAERO CCc1nccn1[C@H](C[NH3+])C(F)(F)C(F)(F)F ZINC000616569143 367231852 /nfs/dbraw/zinc/23/18/52/367231852.db2.gz IESYEFULKCWSIK-ZCFIWIBFSA-N 1 0 257.206 2.143 10 0 CEAERO C[C@H](CC(=O)N[C@H](C)c1ccccn1)C1CC[NH2+]CC1 ZINC000163552272 367248168 /nfs/dbraw/zinc/24/81/68/367248168.db2.gz XBYBXHBWQRPRDA-CHWSQXEVSA-N 1 0 275.396 2.285 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)NCCc2cccc(Cl)c2)C1 ZINC000170826116 367426166 /nfs/dbraw/zinc/42/61/66/367426166.db2.gz ZTWJUGNXTJTNRJ-CQSZACIVSA-N 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CC(C)n1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cn1 ZINC000245739667 370866944 /nfs/dbraw/zinc/86/69/44/370866944.db2.gz LOJCFVJRTQFYGS-HIFRSBDPSA-N 1 0 262.401 2.133 10 0 CEAERO CCC[C@H](C(=O)N1CC[C@H](C)[C@@H](n2ccnc2)C1)[NH+](C)C ZINC000245764833 370871491 /nfs/dbraw/zinc/87/14/91/370871491.db2.gz JECRMHBTFHISPL-ZNMIVQPWSA-N 1 0 292.427 2.023 10 0 CEAERO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1CC[C@H](C)O1)CC2 ZINC000245970762 370896012 /nfs/dbraw/zinc/89/60/12/370896012.db2.gz FMJHLYLCSFMKEI-XGUBFFRZSA-N 1 0 280.412 2.028 10 0 CEAERO Cc1cccc2c(CC(=O)N3CC[N@@H+]4CCC[C@H]4C3)c[nH]c21 ZINC000172843487 367827787 /nfs/dbraw/zinc/82/77/87/367827787.db2.gz VUQROJKXLVQLOO-HNNXBMFYSA-N 1 0 297.402 2.325 10 0 CEAERO CCCc1ncc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000173574403 367924571 /nfs/dbraw/zinc/92/45/71/367924571.db2.gz PBZQYSMAJUKJLE-LLVKDONJSA-N 1 0 279.409 2.016 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1nccs1 ZINC000173331538 367897958 /nfs/dbraw/zinc/89/79/58/367897958.db2.gz 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CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H]2C2CCC2)C1 ZINC000246040070 370902566 /nfs/dbraw/zinc/90/25/66/370902566.db2.gz XHROFSWUHSLWGS-GJZGRUSLSA-N 1 0 279.428 2.445 10 0 CEAERO CCC(CC)CS(=O)(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246078698 370906136 /nfs/dbraw/zinc/90/61/36/370906136.db2.gz FOBBNUTYODHIOW-TZMCWYRMSA-N 1 0 290.473 2.071 10 0 CEAERO Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCS[C@@H](C)C2)c1 ZINC000246100641 370909124 /nfs/dbraw/zinc/90/91/24/370909124.db2.gz HXIQTNOJWBWXTN-LSDHHAIUSA-N 1 0 295.448 2.480 10 0 CEAERO CC(C)N(C(=O)[C@@H](C)[N@@H+]1CCS[C@@H](C)C1)C(C)C ZINC000246120741 370911370 /nfs/dbraw/zinc/91/13/70/370911370.db2.gz LBDLUUMXWAERMK-QWHCGFSZSA-N 1 0 272.458 2.458 10 0 CEAERO Fc1ccccc1OCCN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246163157 370918337 /nfs/dbraw/zinc/91/83/37/370918337.db2.gz IDPYWVFBWAPSJP-AWEZNQCLSA-N 1 0 278.371 2.375 10 0 CEAERO O=C(N[C@@H]1CC12CCCCC2)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634770980 368875316 /nfs/dbraw/zinc/87/53/16/368875316.db2.gz 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ZINC000246548995 370977014 /nfs/dbraw/zinc/97/70/14/370977014.db2.gz YBKIDBSFAKJUOW-KGLIPLIRSA-N 1 0 288.395 2.022 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H]2CC=CCC2)C1 ZINC000246481331 370967999 /nfs/dbraw/zinc/96/79/99/370967999.db2.gz QQEUQHKWQDDFFO-MCIONIFRSA-N 1 0 265.401 2.123 10 0 CEAERO Cc1ccc2cc(C[NH2+][C@@H]3CCc4ncnn4C3)ccc2n1 ZINC000189324679 369496985 /nfs/dbraw/zinc/49/69/85/369496985.db2.gz HSQSWBRDAQDNJS-OAHLLOKOSA-N 1 0 293.374 2.239 10 0 CEAERO C[N@H+](CC(=O)Nc1ccccc1Cl)[C@H]1CCC[C@H]1O ZINC000352691353 369839064 /nfs/dbraw/zinc/83/90/64/369839064.db2.gz GJILTXMACHIIAI-QWHCGFSZSA-N 1 0 282.771 2.124 10 0 CEAERO CCCCOC[C@@H](O)C[NH2+][C@H](C)c1ccc(C)o1 ZINC000193241645 369909564 /nfs/dbraw/zinc/90/95/64/369909564.db2.gz GVXAVKNBJHSTPI-OLZOCXBDSA-N 1 0 255.358 2.416 10 0 CEAERO CCCCOC[C@@H](O)C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000193251160 369911621 /nfs/dbraw/zinc/91/16/21/369911621.db2.gz CNUQWDZMXQNSFZ-RYUDHWBXSA-N 1 0 283.334 2.438 10 0 CEAERO [NH3+][C@H]1CCCN(C(=O)c2csc(C(F)(F)F)c2)C1 ZINC000637799619 370073231 /nfs/dbraw/zinc/07/32/31/370073231.db2.gz XFPHSEAGTWWRTD-QMMMGPOBSA-N 1 0 278.299 2.330 10 0 CEAERO CCC[C@H](C(=O)Nc1n[nH]c2cc(OC)ccc21)[NH+](C)C ZINC000194804817 370075691 /nfs/dbraw/zinc/07/56/91/370075691.db2.gz KARZMTVBYCTNCW-CYBMUJFWSA-N 1 0 290.367 2.240 10 0 CEAERO CCN1CC[C@H]2C[N@H+](CCc3ccccc3)CCN2C1=O ZINC000196446891 370146144 /nfs/dbraw/zinc/14/61/44/370146144.db2.gz MZIKBFQEOKFNPQ-INIZCTEOSA-N 1 0 287.407 2.061 10 0 CEAERO CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H](C)c2ccc(Cl)cc2)C1 ZINC000637884867 370146512 /nfs/dbraw/zinc/14/65/12/370146512.db2.gz ULUAOFMLXIPXES-DGFSRKRXSA-N 1 0 296.798 2.284 10 0 CEAERO CC(=O)c1ccc(N2CC[NH2+]CC2)cc1C(F)(F)F ZINC000201759750 370151910 /nfs/dbraw/zinc/15/19/10/370151910.db2.gz VEHXAWMRLHKSEJ-UHFFFAOYSA-N 1 0 272.270 2.318 10 0 CEAERO O=C(CCC1C[NH2+]C1)NC1CCC(C(F)(F)F)CC1 ZINC000637902279 370159409 /nfs/dbraw/zinc/15/94/09/370159409.db2.gz KRJXAOCFZAZZPM-UHFFFAOYSA-N 1 0 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COc1ccc(C[N@@H+]2C[C@H](C)C[C@@H](O)C2)cc1F ZINC000334746431 207009118 /nfs/dbraw/zinc/00/91/18/207009118.db2.gz PUVZDENKKYVASF-ZYHUDNBSSA-N 1 0 253.317 2.037 10 0 CEAERO CCn1nc(C[N@@H+]2C[C@@H](C)C[C@H](O)C2)c2ccccc21 ZINC000334745726 207007211 /nfs/dbraw/zinc/00/72/11/207007211.db2.gz JXDJPMCASMEEAZ-STQMWFEESA-N 1 0 273.380 2.259 10 0 CEAERO NC(=O)c1ccc[n+](Cc2ccc(Cl)c(Cl)c2)c1 ZINC000000129858 169546696 /nfs/dbraw/zinc/54/66/96/169546696.db2.gz KIEDNRRIDZUXSD-UHFFFAOYSA-O 1 0 282.150 2.428 10 0 CEAERO C[C@@H]1CN(C(=O)/C=C/c2ccccc2Cl)C[C@H]1[NH3+] ZINC000493170986 380830504 /nfs/dbraw/zinc/83/05/04/380830504.db2.gz KKMCBVHGIOSGCI-QTSSUADMSA-N 1 0 264.756 2.159 10 0 CEAERO CC(C)CN(CC(C)C)C(=O)C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000183148465 542287319 /nfs/dbraw/zinc/28/73/19/542287319.db2.gz TXTQSHGFYJOHBZ-HUUCEWRRSA-N 1 0 284.444 2.284 10 0 CEAERO CC1(C)CN(C(=O)Nc2ccc3c(c2)CCO3)CC[C@@H]1[NH3+] ZINC000334859355 207201356 /nfs/dbraw/zinc/20/13/56/207201356.db2.gz IOCQUUUAWVYWAV-AWEZNQCLSA-N 1 0 289.379 2.213 10 0 CEAERO Cc1ccc(CNC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)cc1 ZINC000183171815 542287597 /nfs/dbraw/zinc/28/75/97/542287597.db2.gz IGQPLFKQSPYWJZ-DZKIICNBSA-N 1 0 290.407 2.157 10 0 CEAERO C[C@@H]([NH2+]CC(=O)N(C)CC1CCCCC1)[C@H]1CCCO1 ZINC000183109762 542287836 /nfs/dbraw/zinc/28/78/36/542287836.db2.gz PDQLTLPHUDSPMI-UKRRQHHQSA-N 1 0 282.428 2.182 10 0 CEAERO C[C@H](CCNC(=O)N[C@@H](C)[C@@H]1CCCO1)[NH+]1CCCCC1 ZINC000184862960 542302092 /nfs/dbraw/zinc/30/20/92/542302092.db2.gz IPGRWZJADWCBPS-ILXRZTDVSA-N 1 0 297.443 2.118 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](CO)CC2)C12CCOCC2 ZINC000186386317 542309338 /nfs/dbraw/zinc/30/93/38/542309338.db2.gz IMEQFZVENIUDJI-QKPAOTATSA-N 1 0 297.439 2.101 10 0 CEAERO c1cn(C[C@H]2CCC[N@@H+]2Cc2cccc3c2OCO3)cn1 ZINC000188414976 542322396 /nfs/dbraw/zinc/32/23/96/542322396.db2.gz DMWXHUZQYNFQRX-CQSZACIVSA-N 1 0 285.347 2.276 10 0 CEAERO CCN(Cc1cccs1)c1ncccc1C(N)=[NH2+] ZINC000042487804 184554663 /nfs/dbraw/zinc/55/46/63/184554663.db2.gz APSPCSYRDBGJCJ-UHFFFAOYSA-N 1 0 260.366 2.454 10 0 CEAERO CCC(CC)[C@H](CNC(=O)c1c(C)n[nH]c1C)[NH+](C)C ZINC000040825427 184548983 /nfs/dbraw/zinc/54/89/83/184548983.db2.gz TZFIFZPATSZKKI-ZDUSSCGKSA-N 1 0 280.416 2.123 10 0 CEAERO CCN1C(=O)CC[C@@H]([NH3+])[C@@H]1c1ccc(C)c(F)c1 ZINC000070985584 184574477 /nfs/dbraw/zinc/57/44/77/184574477.db2.gz HAUKLLVIPBBWND-OCCSQVGLSA-N 1 0 250.317 2.145 10 0 CEAERO CN(c1nc2c(cc1C(N)=[NH2+])CCC2)C1CCCC1 ZINC000043406514 184559169 /nfs/dbraw/zinc/55/91/69/184559169.db2.gz MAQJDIGQSXDPOE-UHFFFAOYSA-N 1 0 258.369 2.233 10 0 CEAERO CCS(=O)(=O)CC[C@H]1CCc2ccccc2[C@H]1[NH3+] ZINC000049851859 184564890 /nfs/dbraw/zinc/56/48/90/184564890.db2.gz VCDVRTHNCIHQDI-OCCSQVGLSA-N 1 0 267.394 2.074 10 0 CEAERO CC[C@@](C)(C[NH3+])OCC(=O)Nc1ccc(C)cc1 ZINC000086710171 184609691 /nfs/dbraw/zinc/60/96/91/184609691.db2.gz HLPSPRWUGZBCNJ-AWEZNQCLSA-N 1 0 250.342 2.078 10 0 CEAERO CCOC(=O)[C@H](CC)OC1(C[NH3+])CCCCCC1 ZINC000086724945 184610632 /nfs/dbraw/zinc/61/06/32/184610632.db2.gz APIGQZXNUXHWGC-LBPRGKRZSA-N 1 0 257.374 2.396 10 0 CEAERO CC[NH2+]Cc1ccc(CC)c(S(=O)(=O)N2CCCC2)c1 ZINC000088905499 184613975 /nfs/dbraw/zinc/61/39/75/184613975.db2.gz FUAYBCFLHDQPKF-UHFFFAOYSA-N 1 0 296.436 2.143 10 0 CEAERO CCC(CC)N(C)S(=O)(=O)c1cc(C)c(C[NH3+])s1 ZINC000088963772 184615645 /nfs/dbraw/zinc/61/56/45/184615645.db2.gz LAKZHSKOJFFBNN-UHFFFAOYSA-N 1 0 290.454 2.324 10 0 CEAERO [NH3+]CC1CC(OC(=O)Nc2ccc(F)cc2F)C1 ZINC000092745056 184624881 /nfs/dbraw/zinc/62/48/81/184624881.db2.gz LMMXYGYZOVSOOS-UHFFFAOYSA-N 1 0 256.252 2.251 10 0 CEAERO Cc1cc(C)cc(N(C)C[C@@H]2Cc3nc[nH]c3C[NH2+]2)c1 ZINC000092799193 184627697 /nfs/dbraw/zinc/62/76/97/184627697.db2.gz YQPNYCPEOYKMJK-ZDUSSCGKSA-N 1 0 270.380 2.177 10 0 CEAERO CC1(C)C(NC(=O)COc2ccc(C[NH3+])cc2)C1(C)C ZINC000092804071 184627751 /nfs/dbraw/zinc/62/77/51/184627751.db2.gz MUEHJBULPQUXLO-UHFFFAOYSA-N 1 0 276.380 2.075 10 0 CEAERO CC[NH2+][C@H]1c2cc(OC)ccc2C[C@H]1OCCOCC ZINC000092840066 184631222 /nfs/dbraw/zinc/63/12/22/184631222.db2.gz BUQWFZBHVMEKMB-CVEARBPZSA-N 1 0 279.380 2.324 10 0 CEAERO Cn1cc([C@H]2CC[NH2+]C[C@H]2Cc2ccccc2)cn1 ZINC000092691346 184621747 /nfs/dbraw/zinc/62/17/47/184621747.db2.gz QIBOKWHMOPDYHC-ZBFHGGJFSA-N 1 0 255.365 2.356 10 0 CEAERO C[NH2+][C@H]1c2cc(OC)ccc2CC[C@H]1SC1COC1 ZINC000092712915 184622410 /nfs/dbraw/zinc/62/24/10/184622410.db2.gz WYNQTDBWYQEFIH-CABCVRRESA-N 1 0 279.405 2.403 10 0 CEAERO CC(C)C[NH2+]C[C@@H]1CCCO[C@@H]1c1cnn(C)c1 ZINC000092888164 184633741 /nfs/dbraw/zinc/63/37/41/184633741.db2.gz HOSPTEFHJXBAJJ-JSGCOSHPSA-N 1 0 251.374 2.133 10 0 CEAERO C[C@H](NC(=O)[C@H]1CC[NH2+][C@H]1C)c1cccc(F)c1 ZINC000092955728 184637656 /nfs/dbraw/zinc/63/76/56/184637656.db2.gz ZTPFZOUSMKDGLV-KWBADKCTSA-N 1 0 250.317 2.001 10 0 CEAERO C[NH2+]C[C@@H](CCCS(C)(=O)=O)c1cccc(C)c1 ZINC000093125913 184650983 /nfs/dbraw/zinc/65/09/83/184650983.db2.gz FTVNDQXOHYBCLY-CQSZACIVSA-N 1 0 269.410 2.123 10 0 CEAERO Cn1cncc1[C@H]1CC[NH2+]C[C@@H]1c1ccc(F)cc1 ZINC000093154881 184651933 /nfs/dbraw/zinc/65/19/33/184651933.db2.gz OBEQJSYYABNCAV-UONOGXRCSA-N 1 0 259.328 2.420 10 0 CEAERO CCC[NH2+]C[C@@H](Cc1ncnn1C)c1ccc(F)cc1 ZINC000093153672 184652053 /nfs/dbraw/zinc/65/20/53/184652053.db2.gz BBYMOKDURDBGRB-CYBMUJFWSA-N 1 0 276.359 2.280 10 0 CEAERO CCCn1ncnc1C[C@@H](C[NH2+]C)c1ccccc1F ZINC000093178655 184653589 /nfs/dbraw/zinc/65/35/89/184653589.db2.gz FRGPQIJKVAKLBD-LBPRGKRZSA-N 1 0 276.359 2.373 10 0 CEAERO CCn1ncnc1C[C@@H](C[NH3+])c1ccccc1Cl ZINC000093179519 184653723 /nfs/dbraw/zinc/65/37/23/184653723.db2.gz UTLSQUDGBMDGFY-JTQLQIEISA-N 1 0 264.760 2.236 10 0 CEAERO COCC[NH2+]C[C@H](C)N(C)[C@@H](C)Cc1cccs1 ZINC000093271624 184660509 /nfs/dbraw/zinc/66/05/09/184660509.db2.gz BISDMSVCHNHIQS-STQMWFEESA-N 1 0 270.442 2.235 10 0 CEAERO COCCOc1cc(C)ccc1N[C@@H]1CC[C@H]([NH3+])C1 ZINC000093207710 184656035 /nfs/dbraw/zinc/65/60/35/184656035.db2.gz IJAAHEGBIUAQMM-QWHCGFSZSA-N 1 0 264.369 2.312 10 0 CEAERO COc1cccc(NC(=O)O[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC000093220412 184656521 /nfs/dbraw/zinc/65/65/21/184656521.db2.gz KFEZZDQUVSYNMQ-SKDRFNHKSA-N 1 0 250.298 2.124 10 0 CEAERO CCS(=O)(=O)c1ccc(O[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000093219883 184656578 /nfs/dbraw/zinc/65/65/78/184656578.db2.gz JKVAGPJAUBEASZ-DGCLKSJQSA-N 1 0 283.393 2.129 10 0 CEAERO Cc1ccc(CN(C)C(=O)[C@H]2CCC[NH2+][C@@H]2C)s1 ZINC000335012048 207466408 /nfs/dbraw/zinc/46/64/08/207466408.db2.gz PGCMZUPWANMFOI-YPMHNXCESA-N 1 0 266.410 2.403 10 0 CEAERO O=C1NCCC[C@@H]1C[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000335145831 296368165 /nfs/dbraw/zinc/36/81/65/296368165.db2.gz FQUSQRMGPYLGLN-GDBMZVCRSA-N 1 0 262.397 2.335 10 0 CEAERO O=C1NCCC[C@H]1C[NH+]1CCC2(CCCC2)CC1 ZINC000334557616 296369936 /nfs/dbraw/zinc/36/99/36/296369936.db2.gz UIUOEOJWDPZRPP-ZDUSSCGKSA-N 1 0 250.386 2.169 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@]2(C1)[NH2+]CCc1occc12 ZINC000710002403 542374254 /nfs/dbraw/zinc/37/42/54/542374254.db2.gz HAOKMBCXWDBIOI-OAHLLOKOSA-N 1 0 278.352 2.261 10 0 CEAERO C[C@H](C[C@@H]1CCCC[NH2+]1)Nc1cc(C(N)=O)c(F)cc1F ZINC000093474598 184681239 /nfs/dbraw/zinc/68/12/39/184681239.db2.gz NIFJOLDKAONTBT-ZJUUUORDSA-N 1 0 297.349 2.396 10 0 CEAERO CCN1C(=[NH2+])NC[C@@]1(C)c1cccc(OC(F)F)c1 ZINC000093357718 184667168 /nfs/dbraw/zinc/66/71/68/184667168.db2.gz ZQXAWSAJXMHDFN-ZDUSSCGKSA-N 1 0 269.295 2.153 10 0 CEAERO NC(=O)c1c(F)cccc1N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000093409413 184671675 /nfs/dbraw/zinc/67/16/75/184671675.db2.gz OEVKDHQFLFWWKZ-JTQLQIEISA-N 1 0 277.343 2.011 10 0 CEAERO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CCN(C)C ZINC000093461904 184677752 /nfs/dbraw/zinc/67/77/52/184677752.db2.gz RLGMOWAARKHZJI-KGLIPLIRSA-N 1 0 299.459 2.316 10 0 CEAERO CC[C@@H]1C[N@H+](C[C@H](O)COCc2ccccc2)CCCO1 ZINC000281277692 195177340 /nfs/dbraw/zinc/17/73/40/195177340.db2.gz GEZPPSYRFTXGST-DLBZAZTESA-N 1 0 293.407 2.065 10 0 CEAERO CCC[NH2+]CCCS(=O)(=O)c1ccc(C)cc1C ZINC000081922552 177895697 /nfs/dbraw/zinc/89/56/97/177895697.db2.gz KBGYGILDBSVYSQ-UHFFFAOYSA-N 1 0 269.410 2.467 10 0 CEAERO CCC[NH2+][C@@H](C)CS(=O)(=O)c1ccc(C)cc1C ZINC000081922543 177895699 /nfs/dbraw/zinc/89/56/99/177895699.db2.gz HNHQPTVYGQANGB-ZDUSSCGKSA-N 1 0 269.410 2.465 10 0 CEAERO C[NH2+][C@H](C)CCCS(=O)(=O)c1cc(C)ccc1C ZINC000081922129 177895346 /nfs/dbraw/zinc/89/53/46/177895346.db2.gz FIEDYZBMXOZOMB-CYBMUJFWSA-N 1 0 269.410 2.465 10 0 CEAERO C[NH2+][C@@H]1CCOC[C@H]1Sc1ncccc1Cl ZINC000081896581 177879678 /nfs/dbraw/zinc/87/96/78/177879678.db2.gz OHYPAVZZRAUHGJ-NXEZZACHSA-N 1 0 258.774 2.204 10 0 CEAERO CCC[NH2+][C@@H](CC)[C@@H](C)Sc1n[nH]c(=O)n1C1CC1 ZINC000081880318 177874860 /nfs/dbraw/zinc/87/48/60/177874860.db2.gz QOCLZCMZOYCTOK-KOLCDFICSA-N 1 0 284.429 2.165 10 0 CEAERO C[NH2+][C@H]1CCC(C)(C)C[C@H]1Sc1n[nH]c(=O)n1C(C)C ZINC000081879519 177873057 /nfs/dbraw/zinc/87/30/57/177873057.db2.gz BEQBPJWXAZDYRE-WDEREUQCSA-N 1 0 298.456 2.411 10 0 CEAERO CC[NH2+][C@H]1CCCC[C@@H]1Sc1nnnn1C1CC1 ZINC000081867580 177868117 /nfs/dbraw/zinc/86/81/17/177868117.db2.gz JSLKJIHORHYEFC-QWRGUYRKSA-N 1 0 267.402 2.021 10 0 CEAERO CC[NH2+][C@H](CC)CSc1nnc(N(C)C)s1 ZINC000081769393 177856704 /nfs/dbraw/zinc/85/67/04/177856704.db2.gz JYPPLDXMDPSKKU-MRVPVSSYSA-N 1 0 260.432 2.084 10 0 CEAERO CC(C)Oc1ccccc1[C@H](C)NC(=O)CC1C[NH2+]C1 ZINC000081748913 177853321 /nfs/dbraw/zinc/85/33/21/177853321.db2.gz GKCLDFNJPRBYOH-LBPRGKRZSA-N 1 0 276.380 2.261 10 0 CEAERO C[C@H](NC(=O)CC1C[NH2+]C1)c1cc2ccccc2o1 ZINC000081748219 177853437 /nfs/dbraw/zinc/85/34/37/177853437.db2.gz NISXNKWPHYNPNA-JTQLQIEISA-N 1 0 258.321 2.220 10 0 CEAERO CC(C)[C@H](C)C[NH2+]C1CN(C(=O)OC(C)(C)C)C1 ZINC000081046223 177761894 /nfs/dbraw/zinc/76/18/94/177761894.db2.gz RGMZEFHNCYYWDH-LLVKDONJSA-N 1 0 256.390 2.487 10 0 CEAERO COC[C@H]1CCN(c2cc(C[NH3+])c3ccccc3n2)C1 ZINC000081041254 177760053 /nfs/dbraw/zinc/76/00/53/177760053.db2.gz JSZVQEQEFLDXSR-LBPRGKRZSA-N 1 0 271.364 2.166 10 0 CEAERO Cc1nc(C)c([C@@H](C)NC(=O)[C@H]2CCCCC[NH2+]2)s1 ZINC000080998265 177752054 /nfs/dbraw/zinc/75/20/54/177752054.db2.gz FHLOBJYNSMLXAI-ZYHUDNBSSA-N 1 0 281.425 2.469 10 0 CEAERO C[C@H]1CCC(=O)N(C[C@H](C[NH3+])c2ccccc2)CC1 ZINC000080784701 177706534 /nfs/dbraw/zinc/70/65/34/177706534.db2.gz LISWYMMQFJUUEK-ZFWWWQNUSA-N 1 0 260.381 2.378 10 0 CEAERO CCOC(=O)C[C@@]1([NH+](C)C)CCO[C@@](C)(CC)C1 ZINC000080689956 177691901 /nfs/dbraw/zinc/69/19/01/177691901.db2.gz DRUPMHSSNIHEOG-KBPBESRZSA-N 1 0 257.374 2.219 10 0 CEAERO CCOC(=O)C[C@H]([C@H]1CCOC1)[NH+]1CCCCCC1 ZINC000080685797 177691088 /nfs/dbraw/zinc/69/10/88/177691088.db2.gz FQFVGGFUISYOHF-UONOGXRCSA-N 1 0 269.385 2.221 10 0 CEAERO COc1ccc([C@@H]([NH2+]CCc2nnc[nH]2)C2CC2)cc1 ZINC000080575472 177672772 /nfs/dbraw/zinc/67/27/72/177672772.db2.gz XCQOQHGNAOAIGS-HNNXBMFYSA-N 1 0 272.352 2.097 10 0 CEAERO CC(C)N(CC(N)=[NH2+])C(=O)Nc1ccccc1F ZINC000080223623 177627910 /nfs/dbraw/zinc/62/79/10/177627910.db2.gz FBKDEUXUERIFSV-UHFFFAOYSA-N 1 0 252.293 2.004 10 0 CEAERO CCOC(=O)[C@]1(NC2CC2)CC[C@H]([NH+]2CCCCCC2)C1 ZINC000093823354 184725913 /nfs/dbraw/zinc/72/59/13/184725913.db2.gz KUYYQBXQJBWAIP-RDJZCZTQSA-N 1 0 294.439 2.469 10 0 CEAERO C[NH2+][C@@H]1CCC[C@@H]1CCn1ncc(=O)c2ccccc21 ZINC000093556899 184691140 /nfs/dbraw/zinc/69/11/40/184691140.db2.gz NQXXQQLEXKRAOX-TZMCWYRMSA-N 1 0 271.364 2.175 10 0 CEAERO COC(=O)[C@@]1([NH3+])CCC[C@@H]1CCN(C)c1ccccc1 ZINC000093583733 184692473 /nfs/dbraw/zinc/69/24/73/184692473.db2.gz CZNMKCYLCIHFFO-CZUORRHYSA-N 1 0 276.380 2.184 10 0 CEAERO CC(C)[NH2+][C@]1(C(=O)[O-])CCC[C@H]1CC[N@@H+]1CC[C@@H](C)C1 ZINC000093589698 184693504 /nfs/dbraw/zinc/69/35/04/184693504.db2.gz WZBAQEDYTOWOEY-IJEWVQPXSA-N 1 0 282.428 2.340 10 0 CEAERO C[NH2+][C@@]1(C(=O)[O-])CCC[C@H]1CC[NH+]1CCC(C)(C)CC1 ZINC000093593329 184693843 /nfs/dbraw/zinc/69/38/43/184693843.db2.gz DHEDITDJUPXXFK-BBRMVZONSA-N 1 0 282.428 2.341 10 0 CEAERO C[NH2+][C@]1(C(N)=O)CCC[C@H]1CCOC1CCCCCC1 ZINC000093617348 184696731 /nfs/dbraw/zinc/69/67/31/184696731.db2.gz XAGQWGVDTMVIAP-XJKSGUPXSA-N 1 0 282.428 2.360 10 0 CEAERO CC[NH2+][C@]1(C(N)=O)CCC[C@H]1CCOc1ccccc1C ZINC000093624921 184698206 /nfs/dbraw/zinc/69/82/06/184698206.db2.gz KCPGDYMQSNQHGE-WMLDXEAASA-N 1 0 290.407 2.398 10 0 CEAERO CCc1nc(CC)n([C@@H]2CCC[C@](CO)([NH2+]C(C)C)C2)n1 ZINC000093784419 184722271 /nfs/dbraw/zinc/72/22/71/184722271.db2.gz VFSRCVADMHQBAN-CJNGLKHVSA-N 1 0 294.443 2.247 10 0 CEAERO CC[NH2+][C@@H](Cc1cccc(F)c1)[C@@H]1CN(CC)CCO1 ZINC000093914565 184741451 /nfs/dbraw/zinc/74/14/51/184741451.db2.gz GRSIENCBABMNFF-HOTGVXAUSA-N 1 0 280.387 2.067 10 0 CEAERO CC[NH2+][C@@H](Cc1ccc(F)cc1F)[C@@H]1CN(CC)CCO1 ZINC000093915029 184741932 /nfs/dbraw/zinc/74/19/32/184741932.db2.gz MROMQPALTKDYLK-HOTGVXAUSA-N 1 0 298.377 2.206 10 0 CEAERO CC(C)(C)c1ccc([C@@H]([NH3+])CSC[C@@H](O)CO)cc1 ZINC000093962206 184746448 /nfs/dbraw/zinc/74/64/48/184746448.db2.gz DBHIUGDLPIQRIX-KBPBESRZSA-N 1 0 283.437 2.070 10 0 CEAERO CC1(C)C([NH3+])C(C)(C)C1NC(=O)CC1CCCC1 ZINC000094006376 184749417 /nfs/dbraw/zinc/74/94/17/184749417.db2.gz MGJVNVKVPKYOGS-UHFFFAOYSA-N 1 0 252.402 2.445 10 0 CEAERO CCN(CC1CC[NH2+]CC1)C(=O)c1cccc(F)c1 ZINC000094022509 184750097 /nfs/dbraw/zinc/75/00/97/184750097.db2.gz ZHLGOEQBYFOLTJ-UHFFFAOYSA-N 1 0 264.344 2.287 10 0 CEAERO CCCN(CC1CC[NH2+]CC1)c1ncnc2c1CCC2 ZINC000094043820 184751698 /nfs/dbraw/zinc/75/16/98/184751698.db2.gz CNCCQIVRFHFNJZ-UHFFFAOYSA-N 1 0 274.412 2.181 10 0 CEAERO CC(C)N(CC1CC[NH2+]CC1)c1cccc(F)c1C(N)=O ZINC000094044148 184752309 /nfs/dbraw/zinc/75/23/09/184752309.db2.gz YBYITZDGWKGDBM-UHFFFAOYSA-N 1 0 293.386 2.139 10 0 CEAERO Cc1cc([C@H]([NH3+])C[C@H](C)CC(N)=O)c(F)cc1F ZINC000094069189 184753393 /nfs/dbraw/zinc/75/33/93/184753393.db2.gz ACMXUDLUMBFOKL-JVXZTZIISA-N 1 0 256.296 2.175 10 0 CEAERO Nc1ccc2c(c1)CC[C@H]2[NH2+]Cc1nnc2ccccn21 ZINC000094075268 184753786 /nfs/dbraw/zinc/75/37/86/184753786.db2.gz KJNXEFJSUFNYIM-CQSZACIVSA-N 1 0 279.347 2.089 10 0 CEAERO CC[NH2+][C@H](c1cnn(C)c1)[C@@H]1CCc2cccnc21 ZINC000094135798 184755980 /nfs/dbraw/zinc/75/59/80/184755980.db2.gz XGPFCTBNPCTPNK-UKRRQHHQSA-N 1 0 256.353 2.196 10 0 CEAERO Cc1nc(COc2ccc(C[C@@H](C)[NH3+])nc2)cs1 ZINC000094215660 184763722 /nfs/dbraw/zinc/76/37/22/184763722.db2.gz MYINQPUUKCTSQK-SECBINFHSA-N 1 0 263.366 2.315 10 0 CEAERO CC[C@@](C)([NH3+])C(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000094233317 184766897 /nfs/dbraw/zinc/76/68/97/184766897.db2.gz WPCLLHABSIDNSS-OAHLLOKOSA-N 1 0 270.336 2.210 10 0 CEAERO CC(C)(CC[NH2+]C1CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000094269772 184773822 /nfs/dbraw/zinc/77/38/22/184773822.db2.gz SQLFCXCJNIFCGA-UHFFFAOYSA-N 1 0 296.436 2.478 10 0 CEAERO CCc1nc(CC)n([C@@H]2CCCC(C)(C)[C@@H]2[NH3+])n1 ZINC000094277081 184774760 /nfs/dbraw/zinc/77/47/60/184774760.db2.gz HYDGIILHSXSCCV-ZWNOBZJWSA-N 1 0 250.390 2.481 10 0 CEAERO CCCCS(=O)(=O)[C@H]1CCCC(C)(C)[C@@H]1[NH2+]C ZINC000094281710 184775250 /nfs/dbraw/zinc/77/52/50/184775250.db2.gz OQMYAUIEEPZXGT-NWDGAFQWSA-N 1 0 261.431 2.368 10 0 CEAERO CC[C@H](C)S(=O)(=O)[C@@H]1CCCC(C)(C)[C@@H]1[NH2+]C ZINC000094281626 184775449 /nfs/dbraw/zinc/77/54/49/184775449.db2.gz VGHNQFZYMFFKNE-QJPTWQEYSA-N 1 0 261.431 2.366 10 0 CEAERO [NH3+]C1(CC(=O)Nc2cccc(Cn3ccnc3)c2)CCC1 ZINC000094293675 184777193 /nfs/dbraw/zinc/77/71/93/184777193.db2.gz RQVTUBPUVYFXKE-UHFFFAOYSA-N 1 0 284.363 2.141 10 0 CEAERO CCc1cc(C[C@]2(C[NH3+])CCC(C)(C)[C@H]2O)n(CC)n1 ZINC000094314769 184779174 /nfs/dbraw/zinc/77/91/74/184779174.db2.gz XRDZAFWVAKNIPL-ZBFHGGJFSA-N 1 0 279.428 2.134 10 0 CEAERO C[NH2+][C@@H](c1cnn(C)c1)[C@H]1CCOC2(CCCC2)C1 ZINC000094404829 184793474 /nfs/dbraw/zinc/79/34/74/184793474.db2.gz RUFKSYMJXFCPAX-GXTWGEPZSA-N 1 0 263.385 2.420 10 0 CEAERO Cc1ccc(O[C@@H]2CCO[C@@]3(CCOC3)C2)c(CC[NH3+])c1 ZINC000094408744 184794100 /nfs/dbraw/zinc/79/41/00/184794100.db2.gz HLDHPGHIYARAPR-WBVHZDCISA-N 1 0 291.391 2.213 10 0 CEAERO CC[C@@H]([NH3+])c1cnn([C@@H]2CCOC3(CCOCC3)C2)c1 ZINC000094412409 184794335 /nfs/dbraw/zinc/79/43/35/184794335.db2.gz QJLHOIIHCBRNIL-ZIAGYGMSSA-N 1 0 279.384 2.194 10 0 CEAERO CC[NH2+]CC[C@@](C)(O)[C@H]1CCOC2(CCSCC2)C1 ZINC000094418645 184795006 /nfs/dbraw/zinc/79/50/06/184795006.db2.gz HCZLEJDZVOZECN-UONOGXRCSA-N 1 0 287.469 2.429 10 0 CEAERO c1ccc2c(c1)C[NH2+][C@H](C1CC1)CN2C[C@@H]1CCOC1 ZINC000094421481 184795366 /nfs/dbraw/zinc/79/53/66/184795366.db2.gz GZZVQOXVHQSHJR-BBRMVZONSA-N 1 0 272.392 2.411 10 0 CEAERO COC(=O)C[C@]1(C(C)(C)[NH3+])CC(C)(C)OC1(C)C ZINC000094426787 184796830 /nfs/dbraw/zinc/79/68/30/184796830.db2.gz JQXUTJNXCHCPEK-CQSZACIVSA-N 1 0 257.374 2.251 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@@H]1CNc1ccc2nccnc2n1 ZINC000094727604 184848409 /nfs/dbraw/zinc/84/84/09/184848409.db2.gz OEERBWFDZAHPME-VXGBXAGGSA-N 1 0 271.368 2.202 10 0 CEAERO CCOCCOCc1ccc(C[NH2+]C(C)C)cn1 ZINC000094759482 184855377 /nfs/dbraw/zinc/85/53/77/184855377.db2.gz UKQBIUSQCQHKFE-UHFFFAOYSA-N 1 0 252.358 2.133 10 0 CEAERO C[C@H]([NH3+])Cc1cnc(-c2cncc(Br)c2)nc1 ZINC000094825451 184874975 /nfs/dbraw/zinc/87/49/75/184874975.db2.gz FUYLFRXGYFATIK-QMMMGPOBSA-N 1 0 293.168 2.191 10 0 CEAERO COC(=O)C[C@]1(C(C)(C)[NH3+])CSCCC1(C)C ZINC000094485780 184809189 /nfs/dbraw/zinc/80/91/89/184809189.db2.gz LHBHAUWZLKQDDR-ZDUSSCGKSA-N 1 0 259.415 2.436 10 0 CEAERO CC(C)[C@@H](C[NH3+])c1nc(CCC(F)(F)F)no1 ZINC000094492147 184809688 /nfs/dbraw/zinc/80/96/88/184809688.db2.gz CSIVRVNTPHKWDF-SSDOTTSWSA-N 1 0 251.252 2.263 10 0 CEAERO Cc1nn(C)c(C[C@@H]([NH3+])[C@H]2CSCCS2)c1Cl ZINC000094497382 184810686 /nfs/dbraw/zinc/81/06/86/184810686.db2.gz CPWVNBCOFSRRHK-PSASIEDQSA-N 1 0 291.873 2.100 10 0 CEAERO [NH3+][C@@H](Cc1ccc2c(c1)CCC2)[C@@H]1CSCCO1 ZINC000094502492 184811430 /nfs/dbraw/zinc/81/14/30/184811430.db2.gz PPYBQDVRYOFOIW-GJZGRUSLSA-N 1 0 263.406 2.177 10 0 CEAERO Cc1nc([C@H]2CSCCO2)nc(C)c1C[C@@H](C)C[NH3+] ZINC000094505514 184812490 /nfs/dbraw/zinc/81/24/90/184812490.db2.gz SOCBZFPLUXSBNL-NOZJJQNGSA-N 1 0 281.425 2.035 10 0 CEAERO C[C@@H]1C[C@@H]([NH3+])CN(C(=O)Cc2ccccc2Cl)C1 ZINC000094548636 184816043 /nfs/dbraw/zinc/81/60/43/184816043.db2.gz MFSLJNRVQBKRDC-ZYHUDNBSSA-N 1 0 266.772 2.078 10 0 CEAERO C[C@H]1C[C@@H]([NH3+])CN(C(=O)Nc2ccc(F)cc2)C1 ZINC000094550008 184816918 /nfs/dbraw/zinc/81/69/18/184816918.db2.gz GGQRUWVHSWJVRL-GXSJLCMTSA-N 1 0 251.305 2.027 10 0 CEAERO CC(C)c1ccc([C@@H](C)NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc1 ZINC000094566487 184819046 /nfs/dbraw/zinc/81/90/46/184819046.db2.gz SULQZJJCDHSWPB-WQVCFCJDSA-N 1 0 290.407 2.494 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1ccc(Cl)cc1 ZINC000094570393 184820863 /nfs/dbraw/zinc/82/08/63/184820863.db2.gz MIZBTQVGVBLEBM-BIMULSAOSA-N 1 0 282.771 2.024 10 0 CEAERO CC[NH+](CC)C[C@H](C)Nc1nc2ccc(F)cn2n1 ZINC000094605118 184824602 /nfs/dbraw/zinc/82/46/02/184824602.db2.gz XCYUEZJLPOPJME-JTQLQIEISA-N 1 0 265.336 2.011 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc(C)nc(Cc2ccc(OC)nc2)n1 ZINC000094633681 184830427 /nfs/dbraw/zinc/83/04/27/184830427.db2.gz CIHHSNHDZVWCKG-CYBMUJFWSA-N 1 0 286.379 2.059 10 0 CEAERO COc1cc(OC)cc([C@@H]([NH3+])[C@@H]2CCCOC2)c1 ZINC000094651332 184834758 /nfs/dbraw/zinc/83/47/58/184834758.db2.gz VTXGWISHJCSXEE-YGRLFVJLSA-N 1 0 251.326 2.130 10 0 CEAERO COc1ccc(OCCO[C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC000094673494 184837759 /nfs/dbraw/zinc/83/77/59/184837759.db2.gz GQGIAUXTDDRASG-SWLSCSKDSA-N 1 0 265.353 2.231 10 0 CEAERO CC(C)C[C@H](C[NH3+])C(=O)N(C)Cc1cccc(F)c1 ZINC000094696984 184841574 /nfs/dbraw/zinc/84/15/74/184841574.db2.gz WLOXVFWQOLXQGN-CYBMUJFWSA-N 1 0 266.360 2.405 10 0 CEAERO [NH3+][C@H]1CCCCC[C@H]1NC(=O)Cc1cccc(F)c1F ZINC000094713564 184845410 /nfs/dbraw/zinc/84/54/10/184845410.db2.gz JNYMFMRHYHFFST-QWHCGFSZSA-N 1 0 282.334 2.284 10 0 CEAERO C[NH2+][C@@H](Cc1nc(C)c(C)s1)C(C)(C)N1CCOCC1 ZINC000094974127 184909446 /nfs/dbraw/zinc/90/94/46/184909446.db2.gz DDYACTPVXHRKNH-ZDUSSCGKSA-N 1 0 297.468 2.001 10 0 CEAERO Cc1csc(CN2C[C@@H](C)[NH2+]C[C@@]2(C)C2CC2)n1 ZINC000094979423 184910152 /nfs/dbraw/zinc/91/01/52/184910152.db2.gz DQPLDULRQWIUCW-YGRLFVJLSA-N 1 0 265.426 2.414 10 0 CEAERO C[NH2+][C@@H](C)c1ccnc(N(C)C[C@@H]2CCCCO2)c1 ZINC000094998717 184912424 /nfs/dbraw/zinc/91/24/24/184912424.db2.gz OIFSZFROZFQPNY-JSGCOSHPSA-N 1 0 263.385 2.367 10 0 CEAERO CC[NH2+][C@@H](C)[C@@H]1CCCCN1Cc1cccnc1OC ZINC000095005535 184913422 /nfs/dbraw/zinc/91/34/22/184913422.db2.gz HQEXUXJXEQHJCB-ZFWWWQNUSA-N 1 0 277.412 2.443 10 0 CEAERO CC1CCC(C[NH3+])(Nc2ccc(C(=O)N(C)C)cn2)CC1 ZINC000095015007 184916245 /nfs/dbraw/zinc/91/62/45/184916245.db2.gz ZCFOPYOPIHPJEL-UHFFFAOYSA-N 1 0 290.411 2.103 10 0 CEAERO C[NH+](C)CCSCc1cc2ccccc2[nH]c1=NN ZINC000095020925 184917431 /nfs/dbraw/zinc/91/74/31/184917431.db2.gz XBYSJGBSKSGHSV-UHFFFAOYSA-N 1 0 276.409 2.315 10 0 CEAERO COc1ccc(F)c(NC(=O)[C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000094855681 184881526 /nfs/dbraw/zinc/88/15/26/184881526.db2.gz XKWNIEVPISNITC-KOLCDFICSA-N 1 0 266.316 2.161 10 0 CEAERO [NH3+]C[C@H](Nc1ncnc2c1CCCC2)c1ccccc1 ZINC000094873127 184884912 /nfs/dbraw/zinc/88/49/12/184884912.db2.gz LPHPMJHDWRUXNJ-HNNXBMFYSA-N 1 0 268.364 2.467 10 0 CEAERO CCc1ccsc1C[NH2+][C@H]1CN2CCC1CC2 ZINC000094875526 184885272 /nfs/dbraw/zinc/88/52/72/184885272.db2.gz JFURGECXJDPKFG-ZDUSSCGKSA-N 1 0 250.411 2.494 10 0 CEAERO CC[NH2+][C@H](C)c1ccccc1NC(=O)N[C@H]1CCOC1 ZINC000094890358 184888621 /nfs/dbraw/zinc/88/86/21/184888621.db2.gz UMKSMYCQTDOYLZ-NEPJUHHUSA-N 1 0 277.368 2.268 10 0 CEAERO Cc1cc(C[NH2+][C@H](C)C(=O)NC2CC2)cc(C)c1F ZINC000094894289 184889096 /nfs/dbraw/zinc/88/90/96/184889096.db2.gz SEFUNKPPNMHWCU-LLVKDONJSA-N 1 0 264.344 2.199 10 0 CEAERO CC[NH2+][C@H](C)[C@H](c1nc(-c2ncc[nH]2)no1)C(C)C ZINC000094940736 184898566 /nfs/dbraw/zinc/89/85/66/184898566.db2.gz NRAWRLYGWDMWHO-NXEZZACHSA-N 1 0 263.345 2.197 10 0 CEAERO Cc1ccc(OCc2nccs2)c(C[C@H](C)[NH3+])n1 ZINC000094975134 184908979 /nfs/dbraw/zinc/90/89/79/184908979.db2.gz RGJMUUHJWBVYDH-VIFPVBQESA-N 1 0 263.366 2.315 10 0 CEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCSc1ccccc1 ZINC000282471560 195618960 /nfs/dbraw/zinc/61/89/60/195618960.db2.gz UTCPRLXSJWUPEJ-WCQYABFASA-N 1 0 264.394 2.035 10 0 CEAERO C[S@](=O)Cc1cccc(NC(=O)C2([NH3+])CCCCC2)c1 ZINC000262445035 131221099 /nfs/dbraw/zinc/22/10/99/131221099.db2.gz CDMQVGHSIWYYDS-FQEVSTJZSA-N 1 0 294.420 2.165 10 0 CEAERO CC[C@@H]([NH3+])Cc1c(C)nn(Cc2ccncc2)c1C ZINC000062803312 522641110 /nfs/dbraw/zinc/64/11/10/522641110.db2.gz QISRIHHKYHICQI-CQSZACIVSA-N 1 0 258.369 2.223 10 0 CEAERO C[C@H]1CC[C@@H](C(N)=O)CN1c1ccccc1C[NH2+]C1CC1 ZINC000042438248 134894199 /nfs/dbraw/zinc/89/41/99/134894199.db2.gz VSJWVZPUTJEZSV-GXTWGEPZSA-N 1 0 287.407 2.029 10 0 CEAERO [NH3+][C@H]1CCC[C@H](C(=O)N2CCCc3ccccc32)C1 ZINC000070573870 134952844 /nfs/dbraw/zinc/95/28/44/134952844.db2.gz FLGPVKFDXOBKGJ-KBPBESRZSA-N 1 0 258.365 2.483 10 0 CEAERO C[C@H]1C[NH2+]CCN1c1ccccc1OC(F)(F)F ZINC000083433806 135020918 /nfs/dbraw/zinc/02/09/18/135020918.db2.gz CENBOVOQEHEBJQ-VIFPVBQESA-N 1 0 260.259 2.383 10 0 CEAERO COc1cc(OC)cc(N2CC[NH2+][C@H](C(C)C)C2)c1 ZINC000083479379 135023921 /nfs/dbraw/zinc/02/39/21/135023921.db2.gz STADNKWGVVEEPX-HNNXBMFYSA-N 1 0 264.369 2.138 10 0 CEAERO CCC[C@@H]1CN(c2ccc(F)cc2OC)CC[NH2+]1 ZINC000086145072 135039484 /nfs/dbraw/zinc/03/94/84/135039484.db2.gz ZLHOOZMXOHLPFN-GFCCVEGCSA-N 1 0 252.333 2.413 10 0 CEAERO CC(C)[C@H](C[NH3+])C(=O)N1CCSc2ccccc21 ZINC000087532589 135050235 /nfs/dbraw/zinc/05/02/35/135050235.db2.gz QWNZXGKYORBIGY-NSHDSACASA-N 1 0 264.394 2.356 10 0 CEAERO CCOCOc1ccc(F)cc1N1CCC[C@H]([NH3+])C1 ZINC000087888995 135052103 /nfs/dbraw/zinc/05/21/03/135052103.db2.gz HWMSNLLZINFZAH-LBPRGKRZSA-N 1 0 268.332 2.126 10 0 CEAERO CC(C)n1ncnc1CN1CC[C@@H]([NH3+])c2ccccc21 ZINC000088584864 135055497 /nfs/dbraw/zinc/05/54/97/135055497.db2.gz MFILMRKNRDJZOC-CYBMUJFWSA-N 1 0 271.368 2.269 10 0 CEAERO [NH3+][C@@H]1Cc2ccccc2N([C@@H]2CCCCC[C@@H]2O)C1 ZINC000088764248 135056993 /nfs/dbraw/zinc/05/69/93/135056993.db2.gz KZHIXTSXMBNSQB-BMFZPTHFSA-N 1 0 260.381 2.070 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1Nc1ccccc1N1CCOCC1 ZINC000089148979 135058262 /nfs/dbraw/zinc/05/82/62/135058262.db2.gz KMSIVKPYMNPSDO-KGLIPLIRSA-N 1 0 275.396 2.063 10 0 CEAERO CC[NH2+][C@H]1COC[C@H]1CN1CCCc2ccccc21 ZINC000090493505 135062880 /nfs/dbraw/zinc/06/28/80/135062880.db2.gz VSZLNBAOMFINCU-CABCVRRESA-N 1 0 260.381 2.064 10 0 CEAERO CC(C)[NH2+]CC1CCN(c2cc(OC(C)C)ncn2)CC1 ZINC000090786368 135065119 /nfs/dbraw/zinc/06/51/19/135065119.db2.gz DXKWCWCTAQKMIS-UHFFFAOYSA-N 1 0 292.427 2.478 10 0 CEAERO NC(=[NH2+])c1cc(C(F)(F)F)ccc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090906327 135065991 /nfs/dbraw/zinc/06/59/91/135065991.db2.gz GYIUWMZJOSZXHU-AOOOYVTPSA-N 1 0 299.296 2.357 10 0 CEAERO Cc1cc(C[C@@H](C)[NH3+])ccc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090908283 135066657 /nfs/dbraw/zinc/06/66/57/135066657.db2.gz PPYHZUHLJIRCFI-YUELXQCFSA-N 1 0 260.381 2.252 10 0 CEAERO C[NH+](C)[C@H]1CCCN(c2ccc(N)c(OC(C)(C)C)n2)C1 ZINC000091394951 135068914 /nfs/dbraw/zinc/06/89/14/135068914.db2.gz PYLZDXHEHVQOEA-LBPRGKRZSA-N 1 0 292.427 2.372 10 0 CEAERO CCC1CCN(c2cncc(C[NH2+]C3CC3)n2)CC1 ZINC000091420951 135069307 /nfs/dbraw/zinc/06/93/07/135069307.db2.gz KAKOEULNRKGJFI-UHFFFAOYSA-N 1 0 260.385 2.355 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)N2CCSc3ccccc32)C1 ZINC000092206735 135075766 /nfs/dbraw/zinc/07/57/66/135075766.db2.gz WJFFJIOGEXHNGO-QWRGUYRKSA-N 1 0 260.362 2.029 10 0 CEAERO C[C@@H]1CCc2ccccc2N1C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092201149 135075925 /nfs/dbraw/zinc/07/59/25/135075925.db2.gz JHJULLYDCQBMBH-MRVWCRGKSA-N 1 0 256.349 2.258 10 0 CEAERO CC(C)[NH2+]C[C@@H](C)[C@H](C)N1CCN(c2ccccn2)CC1 ZINC000093068425 135078799 /nfs/dbraw/zinc/07/87/99/135078799.db2.gz ZFXIXSUCXDFNII-CVEARBPZSA-N 1 0 290.455 2.226 10 0 CEAERO C[C@@H]1c2ccsc2CCN1c1ccc(N)c(N)[nH+]1 ZINC000094260261 135084683 /nfs/dbraw/zinc/08/46/83/135084683.db2.gz WVKZXNULPLAEKZ-MRVPVSSYSA-N 1 0 260.366 2.431 10 0 CEAERO NC(=S)c1cc(F)ccc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094440037 135087733 /nfs/dbraw/zinc/08/77/33/135087733.db2.gz YAVOFMWYQIHXBU-GFCCVEGCSA-N 1 0 293.411 2.134 10 0 CEAERO CCc1c(Cl)nc(C)nc1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246250194 394512306 /nfs/dbraw/zinc/51/23/06/394512306.db2.gz WPZZGUMMUCVJCZ-NSHDSACASA-N 1 0 280.803 2.285 10 0 CEAERO C[C@H](CC[NH2+][C@H]1CCSC1)NC(=O)OC(C)(C)C ZINC000221969559 394462762 /nfs/dbraw/zinc/46/27/62/394462762.db2.gz GIWVQMIHLTYLNO-MNOVXSKESA-N 1 0 274.430 2.385 10 0 CEAERO [NH3+][C@@H]1CCN(c2ncc(Br)cc2Cl)C1 ZINC000236307781 394484855 /nfs/dbraw/zinc/48/48/55/394484855.db2.gz DPQQTHMXYQNUEU-SSDOTTSWSA-N 1 0 276.565 2.035 10 0 CEAERO CCC[C@H]([NH3+])C(=O)NC[C@@H](C)COCc1ccccc1 ZINC000236864668 394487046 /nfs/dbraw/zinc/48/70/46/394487046.db2.gz CBVAJYZQEKWMHC-HIFRSBDPSA-N 1 0 278.396 2.083 10 0 CEAERO CCC[C@H]([NH3+])C(=O)NCc1cc(Cl)ccc1OC ZINC000236878512 394488611 /nfs/dbraw/zinc/48/86/11/394488611.db2.gz ZFAFEIXWMJTFQE-NSHDSACASA-N 1 0 270.760 2.092 10 0 CEAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC000038046937 394498099 /nfs/dbraw/zinc/49/80/99/394498099.db2.gz UKQHBZUYAZEVHT-HZSPNIEDSA-N 1 0 275.458 2.472 10 0 CEAERO COC(=O)[C@H]1C[NH2+]CC[C@@H]1Cc1ccc(Cl)cc1 ZINC000039941214 394498964 /nfs/dbraw/zinc/49/89/64/394498964.db2.gz GLBHYYPYZIJNHF-YPMHNXCESA-N 1 0 267.756 2.281 10 0 CEAERO Cc1cc(C)cc(OC[C@@H](O)C[N@@H+]2CCS[C@@H](C)C2)c1 ZINC000245811480 394505243 /nfs/dbraw/zinc/50/52/43/394505243.db2.gz HECAOFFSIIXPOM-GJZGRUSLSA-N 1 0 295.448 2.480 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC2CCCCC2)C1 ZINC000246233000 394511951 /nfs/dbraw/zinc/51/19/51/394511951.db2.gz MXOXLYCOMMIFMV-TZMCWYRMSA-N 1 0 267.417 2.347 10 0 CEAERO Nc1c(F)cccc1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000250791788 394564975 /nfs/dbraw/zinc/56/49/75/394564975.db2.gz RUGTYEBUVPCJBI-ZDUSSCGKSA-N 1 0 263.360 2.078 10 0 CEAERO OC[C@@H]1C[C@H]1[NH2+][C@@H]1CCc2c1cccc2Br ZINC000309649267 394531876 /nfs/dbraw/zinc/53/18/76/394531876.db2.gz RZVKXMZDTTWYNO-ZEGGKSINSA-N 1 0 282.181 2.407 10 0 CEAERO C[C@H](O)CN1CC[N@@H+]([C@H]2CCCc3ccccc32)C[C@@H]1C ZINC000247545152 394532304 /nfs/dbraw/zinc/53/23/04/394532304.db2.gz DKVFBWRLWPERIN-MPGHIAIKSA-N 1 0 288.435 2.451 10 0 CEAERO CSC1CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC000309868360 394532863 /nfs/dbraw/zinc/53/28/63/394532863.db2.gz ORIUZSHSAMQXGT-HNNXBMFYSA-N 1 0 295.448 2.392 10 0 CEAERO CC(C)(C)[C@H](O)C[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000311920938 394539440 /nfs/dbraw/zinc/53/94/40/394539440.db2.gz GQKFQJSTALBTPU-KBUPBQIOSA-N 1 0 269.429 2.409 10 0 CEAERO CO[C@H](C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000248596661 394544047 /nfs/dbraw/zinc/54/40/47/394544047.db2.gz MQCPRGCRQLDTFW-RFGFWPKPSA-N 1 0 298.427 2.256 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+][C@@H]2CCC[C@H]2O)c1C ZINC000323903887 394549419 /nfs/dbraw/zinc/54/94/19/394549419.db2.gz YYZLAKRJCRAIDE-ZWKOPEQDSA-N 1 0 251.374 2.084 10 0 CEAERO CC[C@@](C)(O)C[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000249418932 394555070 /nfs/dbraw/zinc/55/50/70/394555070.db2.gz WSAIQUXCSSPVDV-HUUCEWRRSA-N 1 0 267.344 2.440 10 0 CEAERO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(Br)cn3)C[C@H]12 ZINC000261548589 394602099 /nfs/dbraw/zinc/60/20/99/394602099.db2.gz JSBHULNAQQSQFR-TVYUQYBPSA-N 1 0 296.212 2.013 10 0 CEAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CCOCC(F)(F)F ZINC000083704449 394640362 /nfs/dbraw/zinc/64/03/62/394640362.db2.gz IUDHUKUHCBPHOW-NWDGAFQWSA-N 1 0 280.334 2.124 10 0 CEAERO Cc1oc2ccccc2c1C[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000281883586 394868204 /nfs/dbraw/zinc/86/82/04/394868204.db2.gz XKZGTGMXIMTZID-YGRLFVJLSA-N 1 0 272.348 2.498 10 0 CEAERO CCN1CCC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000131729114 394917638 /nfs/dbraw/zinc/91/76/38/394917638.db2.gz XJBKCBLNYMDIMY-UONOGXRCSA-N 1 0 297.443 2.070 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]C2(CO)CCC2)C1 ZINC000133153275 394945891 /nfs/dbraw/zinc/94/58/91/394945891.db2.gz GEAHOPKDNDJXSX-CYBMUJFWSA-N 1 0 298.427 2.138 10 0 CEAERO CCOC(=O)CCCC[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152295295 394992533 /nfs/dbraw/zinc/99/25/33/394992533.db2.gz SMTSJVHBMKAKTR-HNNXBMFYSA-N 1 0 292.379 2.268 10 0 CEAERO CC1CC[NH+](CCN2CCC[C@@H]2c2cnn(C)c2)CC1 ZINC000153763636 395017619 /nfs/dbraw/zinc/01/76/19/395017619.db2.gz CLMIUNHCTZRDRB-MRXNPFEDSA-N 1 0 276.428 2.289 10 0 CEAERO CC(C)CC1(C(=O)N2CCO[C@H](C[NH+](C)C)C2)CCCC1 ZINC000155251311 395026538 /nfs/dbraw/zinc/02/65/38/395026538.db2.gz AOUWKDXJBYWPPK-OAHLLOKOSA-N 1 0 296.455 2.382 10 0 CEAERO CCCCO[C@H](C)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158880594 395056909 /nfs/dbraw/zinc/05/69/09/395056909.db2.gz LNVFTXXNDBAEGS-MJBXVCDLSA-N 1 0 270.417 2.037 10 0 CEAERO CC(C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000161959984 395068561 /nfs/dbraw/zinc/06/85/61/395068561.db2.gz JFTKNPIGWVCGGS-KBPBESRZSA-N 1 0 252.402 2.413 10 0 CEAERO CC(C)c1nc2c(n1C)CCN(CC[C@@H]1CCC[N@@H+]1C)C2 ZINC000163005675 395079100 /nfs/dbraw/zinc/07/91/00/395079100.db2.gz XFYJVWMKBOFGFQ-AWEZNQCLSA-N 1 0 290.455 2.386 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cncc(OC)c1 ZINC000289707607 395084809 /nfs/dbraw/zinc/08/48/09/395084809.db2.gz FNLSOBUZGVXSGL-CABCVRRESA-N 1 0 275.396 2.149 10 0 CEAERO 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O[C@@H](C[NH2+]CC[C@@H]1CCCO1)COc1ccc(Cl)cc1 ZINC000038096628 400123908 /nfs/dbraw/zinc/12/39/08/400123908.db2.gz AIRVZFOESVVRRP-KBPBESRZSA-N 1 0 299.798 2.238 10 0 CEAERO CC[N@@H+]1CC[C@@H](Nc2ncc(Br)cc2F)C1 ZINC000389301528 400537145 /nfs/dbraw/zinc/53/71/45/400537145.db2.gz ZSQBBXWWSGLLLK-SECBINFHSA-N 1 0 288.164 2.489 10 0 CEAERO O[C@@H]1CCC[C@@H](CN2CC[NH+](C3CCCC3)CC2)C1 ZINC000389419118 400538467 /nfs/dbraw/zinc/53/84/67/400538467.db2.gz NAEASKONXNNBHS-GDBMZVCRSA-N 1 0 266.429 2.098 10 0 CEAERO OCC[N@@H+](Cc1ccccc1)C[C@H]1CCC[C@H](O)C1 ZINC000390806711 400542394 /nfs/dbraw/zinc/54/23/94/400542394.db2.gz KQRLCFCJCLETDM-HOTGVXAUSA-N 1 0 263.381 2.032 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCC1(C2CC2)CCC1 ZINC000393334448 400544252 /nfs/dbraw/zinc/54/42/52/400544252.db2.gz XPFNWFCSWIEICM-AAEUAGOBSA-N 1 0 250.386 2.058 10 0 CEAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)[C@H]1CC2CCC1CC2 ZINC000394436332 400549040 /nfs/dbraw/zinc/54/90/40/400549040.db2.gz HVMIISNQFPRZFI-NXSPZCGBSA-N 1 0 266.429 2.121 10 0 CEAERO CCn1cnnc1[C@H]1CCCN(c2cc[nH+]cc2C)C1 ZINC000191982132 153199520 /nfs/dbraw/zinc/19/95/20/153199520.db2.gz HGTGFHSYTLFDNC-ZDUSSCGKSA-N 1 0 271.368 2.385 10 0 CEAERO COCc1ccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000192526358 153210581 /nfs/dbraw/zinc/21/05/81/153210581.db2.gz MXXIXNOUOUHVMP-OAHLLOKOSA-N 1 0 289.379 2.145 10 0 CEAERO CCCC(=O)N[C@@H]1CCCN(c2cc[nH+]cc2C)C1 ZINC000192555604 153211840 /nfs/dbraw/zinc/21/18/40/153211840.db2.gz IREBSKNYKDRRSE-CYBMUJFWSA-N 1 0 261.369 2.275 10 0 CEAERO O=C(Cc1ccccc1F)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195095731 153274877 /nfs/dbraw/zinc/27/48/77/153274877.db2.gz WRSMTBIKJBJBIV-AWEZNQCLSA-N 1 0 276.355 2.065 10 0 CEAERO CSc1ccccc1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195310901 153283269 /nfs/dbraw/zinc/28/32/69/153283269.db2.gz CQWHYOIOYRRRJT-LBPRGKRZSA-N 1 0 276.405 2.329 10 0 CEAERO Cc1nc(C[C@H]2CCC[N@H+](Cc3cccnc3)C2)no1 ZINC000195518182 153294397 /nfs/dbraw/zinc/29/43/97/153294397.db2.gz VACNVNDJLKEMGP-CYBMUJFWSA-N 1 0 272.352 2.228 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H](O)C2)C12CCOCC2 ZINC000249008053 153676256 /nfs/dbraw/zinc/67/62/56/153676256.db2.gz OEZYQXMCSUJAPH-XUWVNRHRSA-N 1 0 297.439 2.101 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]2CN(c3nnc(C(F)F)s3)C[C@@H]21 ZINC000261555607 153755556 /nfs/dbraw/zinc/75/55/56/153755556.db2.gz BMMPDAMSTDPCQP-GJMOJQLCSA-N 1 0 274.340 2.039 10 0 CEAERO Cc1cc(Br)cc(C(=O)N2CC[C@H]([NH3+])[C@H]2C)c1 ZINC000261557129 153757671 /nfs/dbraw/zinc/75/76/71/153757671.db2.gz RGFPORWXIHVPEZ-SKDRFNHKSA-N 1 0 297.196 2.319 10 0 CEAERO Cc1cc(F)cc(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261580168 153775114 /nfs/dbraw/zinc/77/51/14/153775114.db2.gz FFTQJRGIARNXOV-CYBMUJFWSA-N 1 0 264.344 2.334 10 0 CEAERO CCc1nc(C)cc(N2CCC(CC[NH2+]C)CC2)n1 ZINC000261595490 153784371 /nfs/dbraw/zinc/78/43/71/153784371.db2.gz OBNSWPPEWJVIIG-UHFFFAOYSA-N 1 0 262.401 2.173 10 0 CEAERO CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NC[C@H](C)[NH2+]C ZINC000261794337 153846393 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O=C(NCc1ccc(COc2ccccc2)cc1)C1C[NH2+]C1 ZINC000263258287 154044191 /nfs/dbraw/zinc/04/41/91/154044191.db2.gz FZZXZKBYCRBMEB-UHFFFAOYSA-N 1 0 296.370 2.101 10 0 CEAERO CC[C@@H]([NH2+]C1CC([N@@H+](CC(=O)[O-])CC2CC2)C1)C(C)C ZINC000263462554 154096904 /nfs/dbraw/zinc/09/69/04/154096904.db2.gz CALIRCJDKVCSOP-YMAMQOFZSA-N 1 0 282.428 2.338 10 0 CEAERO C[N@H+](CCCOc1ccc(F)cc1)[C@@H]1CCC[C@@H]1O ZINC000352659187 154323640 /nfs/dbraw/zinc/32/36/40/154323640.db2.gz MFSNCDWNMQIKJJ-CABCVRRESA-N 1 0 267.344 2.440 10 0 CEAERO CCN(C(=O)[C@@H](C)C1C[NH2+]C1)c1ccc(F)cc1 ZINC000164485725 162333602 /nfs/dbraw/zinc/33/36/02/162333602.db2.gz RCYFJGWMAOKNJN-JTQLQIEISA-N 1 0 250.317 2.034 10 0 CEAERO CCN(C(=O)[C@H](C)C1C[NH2+]C1)c1ccc(F)cc1 ZINC000164485847 162333934 /nfs/dbraw/zinc/33/39/34/162333934.db2.gz RCYFJGWMAOKNJN-SNVBAGLBSA-N 1 0 250.317 2.034 10 0 CEAERO CC(C)(C)c1csc(CCNC(=O)[C@@H]2CC[C@H]([NH3+])C2)n1 ZINC000167751473 162361197 /nfs/dbraw/zinc/36/11/97/162361197.db2.gz YSRBEZVIMWYIQH-MNOVXSKESA-N 1 0 295.452 2.227 10 0 CEAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](C[Si](C)(C)C)C2)n1 ZINC000171746520 162391120 /nfs/dbraw/zinc/39/11/20/162391120.db2.gz JIJGFJKKZYBHMG-CQSZACIVSA-N 1 0 280.492 2.484 10 0 CEAERO CCOCCCCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000174107781 162430087 /nfs/dbraw/zinc/43/00/87/162430087.db2.gz PIJBEGJYCKFATL-LSDHHAIUSA-N 1 0 297.443 2.071 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2ccc(C(F)(F)F)nn2)C1 ZINC000167069866 165036450 /nfs/dbraw/zinc/03/64/50/165036450.db2.gz ISVFCYRXGXWGKV-SECBINFHSA-N 1 0 274.290 2.392 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H](C)c1nc2ccccc2n1C ZINC000169150647 165036829 /nfs/dbraw/zinc/03/68/29/165036829.db2.gz DGFYOKJDJJXTRD-COPLHBTASA-N 1 0 288.395 2.124 10 0 CEAERO Fc1ccc(OCC[N@@H+]2CCC[C@@H](n3cncn3)C2)cc1 ZINC000171615556 165049232 /nfs/dbraw/zinc/04/92/32/165049232.db2.gz DALHNHTUAYSMKQ-CQSZACIVSA-N 1 0 290.342 2.133 10 0 CEAERO O=C(NC[C@H]1CCc2ccccc21)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171909353 165053447 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ZINC000176237876 165158081 /nfs/dbraw/zinc/15/80/81/165158081.db2.gz NTAHDUNXEZURPR-AWEZNQCLSA-N 1 0 250.386 2.263 10 0 CEAERO COC[C@H](C)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177248580 165193814 /nfs/dbraw/zinc/19/38/14/165193814.db2.gz OPPLQTBTWWTECI-ZDUSSCGKSA-N 1 0 282.428 2.182 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCC(C)(C)C ZINC000177428021 165201004 /nfs/dbraw/zinc/20/10/04/165201004.db2.gz MSNWUIPLDMVAPQ-GFCCVEGCSA-N 1 0 255.406 2.158 10 0 CEAERO C[C@@H]1C[C@@H]1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177473460 165201134 /nfs/dbraw/zinc/20/11/34/165201134.db2.gz YCVFIWCTLXGPQB-DOMZBBRYSA-N 1 0 279.428 2.491 10 0 CEAERO COCCC[C@H](C)[NH2+][C@@H](C)c1nnc2n1CCCC2 ZINC000178076431 165221383 /nfs/dbraw/zinc/22/13/83/165221383.db2.gz XGSKLOOQPWYGGS-RYUDHWBXSA-N 1 0 266.389 2.080 10 0 CEAERO C[C@H](CC1CCCCC1)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000178563287 165247935 /nfs/dbraw/zinc/24/79/35/165247935.db2.gz CPJUXEBLQKJODY-OCCSQVGLSA-N 1 0 252.402 2.400 10 0 CEAERO CCc1ccc(C(=O)CCC(=O)NCC[C@@H](C)[NH3+])cc1 ZINC000178639972 165250553 /nfs/dbraw/zinc/25/05/53/165250553.db2.gz WLCURXALKHESBS-GFCCVEGCSA-N 1 0 276.380 2.065 10 0 CEAERO C[C@@H](Nc1cc(-n2cccn2)nc(N)[nH+]1)c1cccc(O)c1 ZINC000179904476 165291898 /nfs/dbraw/zinc/29/18/98/165291898.db2.gz XWJICUNBRBUHLW-SNVBAGLBSA-N 1 0 296.334 2.123 10 0 CEAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000180206989 165302605 /nfs/dbraw/zinc/30/26/05/165302605.db2.gz LKFPCEREHPHUAS-CHWSQXEVSA-N 1 0 292.427 2.334 10 0 CEAERO C[C@H](C[NH2+][C@H]1CC(C)(C)C[C@H]1C)N1CCOCC1 ZINC000193121720 289697643 /nfs/dbraw/zinc/69/76/43/289697643.db2.gz QTNJNGYAPNFNRN-MCIONIFRSA-N 1 0 254.418 2.121 10 0 CEAERO O=c1ccc(-c2cccs2)nn1CC[NH+]1CCCCC1 ZINC000005388130 170093470 /nfs/dbraw/zinc/09/34/70/170093470.db2.gz VGGRLVLDVRNAEI-UHFFFAOYSA-N 1 0 289.404 2.458 10 0 CEAERO Cc1nc(-c2ccccc2)cc(N2CCC[C@H]2C[NH3+])n1 ZINC000011849564 170447052 /nfs/dbraw/zinc/44/70/52/170447052.db2.gz VIVKIUUZOJRZIX-AWEZNQCLSA-N 1 0 268.364 2.380 10 0 CEAERO NC(=S)c1cccc(NC(=O)CCC[NH+]2CCCC2)c1 ZINC000019425872 170794524 /nfs/dbraw/zinc/79/45/24/170794524.db2.gz IBYUKFVPQSOVED-UHFFFAOYSA-N 1 0 291.420 2.135 10 0 CEAERO COc1ccc(SC[C@@H](O)CC[NH3+])cc1Cl ZINC000019687125 170840523 /nfs/dbraw/zinc/84/05/23/170840523.db2.gz SVAHNYHBXJLQEQ-QMMMGPOBSA-N 1 0 261.774 2.150 10 0 CEAERO c1ccc2c(c1)OCC[C@H]2[NH2+][C@H]1CN2CCC1CC2 ZINC000019948194 170937985 /nfs/dbraw/zinc/93/79/85/170937985.db2.gz ANSKTMYYUUDPIP-CABCVRRESA-N 1 0 258.365 2.194 10 0 CEAERO [NH3+]C[C@@H](c1cccc(Cl)c1)N1CCC(CO)CC1 ZINC000020179060 171044213 /nfs/dbraw/zinc/04/42/13/171044213.db2.gz NICYJZVUQYVQIH-AWEZNQCLSA-N 1 0 268.788 2.044 10 0 CEAERO COc1ccccc1CNc1nc(CC[NH3+])cs1 ZINC000020185278 171047933 /nfs/dbraw/zinc/04/79/33/171047933.db2.gz JLLZOOYBZCVIJU-UHFFFAOYSA-N 1 0 263.366 2.265 10 0 CEAERO Cc1ccc(C[NH3+])cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC000020189543 171055257 /nfs/dbraw/zinc/05/52/57/171055257.db2.gz CQEQZNIVWMALDK-UHFFFAOYSA-N 1 0 294.351 2.394 10 0 CEAERO COc1ccc(OC)c([C@H](C[NH3+])N(C)CC(C)C)c1 ZINC000020226463 171091213 /nfs/dbraw/zinc/09/12/13/171091213.db2.gz GAPVKNHVFMGMDX-AWEZNQCLSA-N 1 0 266.385 2.291 10 0 CEAERO COc1ccc([C@@H](C[NH3+])N(C)CC2CC2)c(OC)c1 ZINC000020226494 171092255 /nfs/dbraw/zinc/09/22/55/171092255.db2.gz BONIMEAXPLCTQV-CQSZACIVSA-N 1 0 264.369 2.045 10 0 CEAERO CN(Cc1cccc(F)c1)C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000020266654 171123668 /nfs/dbraw/zinc/12/36/68/171123668.db2.gz ZFTGAVNYTCSGGW-HNNXBMFYSA-N 1 0 272.323 2.484 10 0 CEAERO CNC(=O)[C@@H](C)[NH2+]CCc1ccc(Cl)cc1Cl ZINC000020308949 171143433 /nfs/dbraw/zinc/14/34/33/171143433.db2.gz ZVDQAGNDAYVVRN-MRVPVSSYSA-N 1 0 275.179 2.260 10 0 CEAERO COc1ccc(CC[NH2+][C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000020315025 171145311 /nfs/dbraw/zinc/14/53/11/171145311.db2.gz BLDJXGRMSUUEJF-GFCCVEGCSA-N 1 0 278.396 2.131 10 0 CEAERO CC(C)CNC(=O)[C@H](C)Oc1cccc([C@H](C)[NH3+])c1 ZINC000020419809 171185305 /nfs/dbraw/zinc/18/53/05/171185305.db2.gz KUGBGUCEVBTIPT-RYUDHWBXSA-N 1 0 264.369 2.246 10 0 CEAERO COc1ccc([C@@H]([NH3+])c2ccc3c(c2)CC(=O)N3C)cc1 ZINC000020431214 171196216 /nfs/dbraw/zinc/19/62/16/171196216.db2.gz OCSQZRHOXURDTB-QGZVFWFLSA-N 1 0 282.343 2.262 10 0 CEAERO CC(C)CCCO[C@@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000020511630 171231067 /nfs/dbraw/zinc/23/10/67/171231067.db2.gz CJKZKSJWFFFAMG-CHWSQXEVSA-N 1 0 257.374 2.062 10 0 CEAERO CC(C)[C@H](C)[NH2+][C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000020522962 171235929 /nfs/dbraw/zinc/23/59/29/171235929.db2.gz DITPFADFAFEDQH-RYUDHWBXSA-N 1 0 259.357 2.357 10 0 CEAERO NC(=O)C[C@@H]([NH3+])c1cccc(Oc2ccccc2)c1 ZINC000020577912 171256271 /nfs/dbraw/zinc/25/62/71/171256271.db2.gz XZJBDQKUGQSVBJ-CQSZACIVSA-N 1 0 256.305 2.354 10 0 CEAERO O=C(C[C@@H]1CCCC[NH2+]1)NCCc1ccc(F)cc1 ZINC000020597247 171265978 /nfs/dbraw/zinc/26/59/78/171265978.db2.gz FNYDQFFUXVZJTJ-AWEZNQCLSA-N 1 0 264.344 2.017 10 0 CEAERO CC(C)C[NH2+]Cc1c(OCC(N)=O)ccc2ccccc21 ZINC000020872797 171277290 /nfs/dbraw/zinc/27/72/90/171277290.db2.gz QQGZVJGSGYFYLK-UHFFFAOYSA-N 1 0 286.375 2.450 10 0 CEAERO CCCOc1ccc([C@@H](C)[NH2+]CC(N)=O)cc1OCCC ZINC000021959587 171342458 /nfs/dbraw/zinc/34/24/58/171342458.db2.gz LSUDFTVHRUMRGN-GFCCVEGCSA-N 1 0 294.395 2.400 10 0 CEAERO Nc1cc(NC(=O)C[NH+]2CCCCCC2)ccc1F ZINC000022153751 171360816 /nfs/dbraw/zinc/36/08/16/171360816.db2.gz HCUJBSOGZGTMME-UHFFFAOYSA-N 1 0 265.332 2.222 10 0 CEAERO C[C@@H](C(=O)Nc1ccc(F)cc1N)[NH+]1CCC(C)CC1 ZINC000022154570 171361282 /nfs/dbraw/zinc/36/12/82/171361282.db2.gz ZBCOZIHUGMXNKC-NSHDSACASA-N 1 0 279.359 2.467 10 0 CEAERO C[C@@H](C(=O)Nc1cccc(N)c1)[N@@H+]1CCCC[C@H]1C ZINC000022156588 171363050 /nfs/dbraw/zinc/36/30/50/171363050.db2.gz KWMFFDPKPYLPFX-NEPJUHHUSA-N 1 0 261.369 2.470 10 0 CEAERO CCc1ccc([C@@H](C[NH3+])N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000022161526 171364044 /nfs/dbraw/zinc/36/40/44/171364044.db2.gz LUMMBBHADOSUPE-HEHGZKQESA-N 1 0 262.397 2.358 10 0 CEAERO CCCCS(=O)(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000022166778 171366242 /nfs/dbraw/zinc/36/62/42/171366242.db2.gz VNXKKOKPKKVROP-SNVBAGLBSA-N 1 0 256.371 2.248 10 0 CEAERO COc1ccc([C@H](C[NH3+])N2CCCC2)cc1OC(F)F ZINC000022173042 171368564 /nfs/dbraw/zinc/36/85/64/171368564.db2.gz SLHISBQKWOODTN-NSHDSACASA-N 1 0 286.322 2.392 10 0 CEAERO C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccccc1C[NH3+] ZINC000022177192 171370751 /nfs/dbraw/zinc/37/07/51/171370751.db2.gz WFTNUEOUTXDLMM-RYUDHWBXSA-N 1 0 282.409 2.097 10 0 CEAERO COc1cc([C@H](C)[NH3+])ccc1OC[C@@H]1CCCO1 ZINC000022217721 171376402 /nfs/dbraw/zinc/37/64/02/171376402.db2.gz HJUMHRCBDLOROP-JQWIXIFHSA-N 1 0 251.326 2.273 10 0 CEAERO [NH3+]C[C@H](c1ccc(OC(F)F)cc1)N1CCCC1 ZINC000022218877 171376621 /nfs/dbraw/zinc/37/66/21/171376621.db2.gz LUCLYKZLDNVJPJ-GFCCVEGCSA-N 1 0 256.296 2.384 10 0 CEAERO Fc1cccc(F)c1N(CC1CC1)C1=[NH+]CCN1 ZINC000028228643 171551818 /nfs/dbraw/zinc/55/18/18/171551818.db2.gz ANYVCJQEHHHSNJ-UHFFFAOYSA-N 1 0 251.280 2.140 10 0 CEAERO CC[NH2+]C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000032106902 171698820 /nfs/dbraw/zinc/69/88/20/171698820.db2.gz YJURBVXEDLTLLS-ZDUSSCGKSA-N 1 0 251.370 2.333 10 0 CEAERO C[C@H]([NH2+]CC(=O)Nc1ccccc1)c1ccncc1 ZINC000035125297 171995579 /nfs/dbraw/zinc/99/55/79/171995579.db2.gz PNJYACLMKIEZCB-LBPRGKRZSA-N 1 0 255.321 2.371 10 0 CEAERO CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000035230852 172071002 /nfs/dbraw/zinc/07/10/02/172071002.db2.gz APMPKAQCVBSESU-AGIUHOORSA-N 1 0 252.402 2.460 10 0 CEAERO C[C@@H](NC(=O)[C@H]1CCC[NH2+]1)c1ccc(Cl)s1 ZINC000035252045 172082163 /nfs/dbraw/zinc/08/21/63/172082163.db2.gz XWEKJACKZWJAAS-HTQZYQBOSA-N 1 0 258.774 2.331 10 0 CEAERO COc1cc(C[NH2+][C@@H](C)CN2CCCCC2)ccc1O ZINC000035258827 172091193 /nfs/dbraw/zinc/09/11/93/172091193.db2.gz BCUHLMDIFDIDAC-ZDUSSCGKSA-N 1 0 278.396 2.365 10 0 CEAERO COc1ccc(CCNC2=[NH+][C@@H](C)CS2)cc1OC ZINC000035294373 172106006 /nfs/dbraw/zinc/10/60/06/172106006.db2.gz DVPJKNZUQNAWJU-JTQLQIEISA-N 1 0 280.393 2.327 10 0 CEAERO C[NH2+][C@H](c1ccc(OC)cc1OC)[C@@H]1CCCO1 ZINC000035489006 172223752 /nfs/dbraw/zinc/22/37/52/172223752.db2.gz NSHIZNZEGLYOGS-GXTWGEPZSA-N 1 0 251.326 2.143 10 0 CEAERO Cc1ccc(OCC(=O)NCC(C)C)c([C@H](C)[NH3+])c1 ZINC000035629465 172310278 /nfs/dbraw/zinc/31/02/78/172310278.db2.gz XSIVNGNMCPCUOE-LBPRGKRZSA-N 1 0 264.369 2.166 10 0 CEAERO CC[C@@H](C)NS(=O)(=O)c1cccc([C@@H](C)[NH2+]C)c1 ZINC000035632853 172315821 /nfs/dbraw/zinc/31/58/21/172315821.db2.gz ZMZRIPODIDKKCX-GHMZBOCLSA-N 1 0 270.398 2.044 10 0 CEAERO C[C@H](NC(=O)NC1CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000035691202 172359247 /nfs/dbraw/zinc/35/92/47/172359247.db2.gz VLNAJYUMMMCZJS-WCQYABFASA-N 1 0 253.390 2.149 10 0 CEAERO C[NH2+]Cc1c(C)nn(C)c1N(C)Cc1cccs1 ZINC000035718006 172372130 /nfs/dbraw/zinc/37/21/30/172372130.db2.gz IGVFNSSXBWLMMJ-UHFFFAOYSA-N 1 0 264.398 2.146 10 0 CEAERO C[C@@H](NC(=O)[C@H]([NH3+])Cc1ccccc1)c1ccco1 ZINC000035738319 172391439 /nfs/dbraw/zinc/39/14/39/172391439.db2.gz HBGVXURSXVGERL-DGCLKSJQSA-N 1 0 258.321 2.027 10 0 CEAERO Cc1cccc(C(=O)N2[C@H]3C[NH2+]C[C@H]3C[C@@H]2C)c1C ZINC000036258354 172550655 /nfs/dbraw/zinc/55/06/55/172550655.db2.gz UXTIPWUFNKALAW-LNSITVRQSA-N 1 0 258.365 2.126 10 0 CEAERO CC(C)(C)SCC(=O)N1C[C@@H]2C[C@@H]([NH3+])CC[C@@H]2C1 ZINC000036262055 172555390 /nfs/dbraw/zinc/55/53/90/172555390.db2.gz QOANPXQQAFYMFS-WOPDTQHZSA-N 1 0 270.442 2.104 10 0 CEAERO C[NH2+]Cc1ccccc1NC(=O)[C@H]1Cc2ccccc2O1 ZINC000036280827 172571490 /nfs/dbraw/zinc/57/14/90/172571490.db2.gz NOGRPUVRWZRSPA-MRXNPFEDSA-N 1 0 282.343 2.348 10 0 CEAERO Cc1nn(C)c(N(C)C2CCCCCC2)c1C[NH3+] ZINC000036328838 172613082 /nfs/dbraw/zinc/61/30/82/172613082.db2.gz JTKDSAPDJPZVLQ-UHFFFAOYSA-N 1 0 250.390 2.346 10 0 CEAERO CCCNC(=O)N(CCC[NH3+])c1ccc(F)cc1 ZINC000036730656 172662615 /nfs/dbraw/zinc/66/26/15/172662615.db2.gz VGKBIEXPUISFGU-UHFFFAOYSA-N 1 0 253.321 2.101 10 0 CEAERO [NH3+]CCCN(C(=O)CC(F)(F)F)C1CCCCC1 ZINC000036731513 172662794 /nfs/dbraw/zinc/66/27/94/172662794.db2.gz WRVBVSXGEMVYSY-UHFFFAOYSA-N 1 0 266.307 2.449 10 0 CEAERO CCC[NH2+][C@H]1CCN(CCc2cccc(F)c2)C1 ZINC000036779615 172696501 /nfs/dbraw/zinc/69/65/01/172696501.db2.gz ZVYOPNGETKIIMI-HNNXBMFYSA-N 1 0 250.361 2.442 10 0 CEAERO Cc1ccc(/C=C2\SC(=O)N(CC[NH3+])C2=O)s1 ZINC000036906785 172795547 /nfs/dbraw/zinc/79/55/47/172795547.db2.gz MHLVKESHMYXNBU-TWGQIWQCSA-N 1 0 268.363 2.052 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)C1(C)CC1 ZINC000037169253 173003751 /nfs/dbraw/zinc/00/37/51/173003751.db2.gz XURJVCZVWQKBKK-DGCLKSJQSA-N 1 0 263.385 2.031 10 0 CEAERO CC(C)C[NH2+][C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000037186725 173017283 /nfs/dbraw/zinc/01/72/83/173017283.db2.gz FGQFKDNRMYZLAP-GFCCVEGCSA-N 1 0 253.367 2.151 10 0 CEAERO CC(C)c1nn(C)cc1C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000037243010 173059196 /nfs/dbraw/zinc/05/91/96/173059196.db2.gz BYDRHDLIPZNENJ-AAEUAGOBSA-N 1 0 251.374 2.201 10 0 CEAERO COc1ccc2ccccc2c1C[NH2+]CCNC(C)=O ZINC000037247888 173060479 /nfs/dbraw/zinc/06/04/79/173060479.db2.gz BEECILBFXXBRTF-UHFFFAOYSA-N 1 0 272.348 2.074 10 0 CEAERO COC(=O)CC[NH2+][C@H]1CSCc2ccccc21 ZINC000037252326 173064679 /nfs/dbraw/zinc/06/46/79/173064679.db2.gz BOIJDRYUUSDOGV-LBPRGKRZSA-N 1 0 251.351 2.127 10 0 CEAERO Cc1csc2nc(C)c(CNC3CC[NH+](C)CC3)n12 ZINC000037256053 173066952 /nfs/dbraw/zinc/06/69/52/173066952.db2.gz RRODSVAXIIRYBD-UHFFFAOYSA-N 1 0 278.425 2.196 10 0 CEAERO C[C@H]([NH3+])c1ccc(S(=O)(=O)NCC2CCCC2)cc1 ZINC000037259062 173069081 /nfs/dbraw/zinc/06/90/81/173069081.db2.gz ZKCLYUPNMBAPTE-NSHDSACASA-N 1 0 282.409 2.175 10 0 CEAERO CCCNC(=O)C[NH2+][C@H]1CSCc2ccccc21 ZINC000037262722 173072785 /nfs/dbraw/zinc/07/27/85/173072785.db2.gz QUCXLWZLTMHITE-ZDUSSCGKSA-N 1 0 264.394 2.090 10 0 CEAERO Cc1ccc(NC(=O)C[N@@H+](C)C2CCCC2)cc1N ZINC000037273270 173085715 /nfs/dbraw/zinc/08/57/15/173085715.db2.gz QCOMXCRIPGYOKZ-UHFFFAOYSA-N 1 0 261.369 2.390 10 0 CEAERO COc1ccc(N(CCC[NH3+])C(=O)[C@@H]2C[C@H]2C)cc1 ZINC000037298101 173102082 /nfs/dbraw/zinc/10/20/82/173102082.db2.gz RKAIXUORISVFPU-BXUZGUMPSA-N 1 0 262.353 2.033 10 0 CEAERO COC(=O)c1ccc(CN[C@H](CC(C)C)C[NH+](C)C)o1 ZINC000037321712 173122806 /nfs/dbraw/zinc/12/28/06/173122806.db2.gz LOOQXZBZZLGYJK-GFCCVEGCSA-N 1 0 282.384 2.132 10 0 CEAERO CCCn1c2ccccc2nc1[C@@H]1C[C@H](OC)C[NH2+]1 ZINC000037323592 173124255 /nfs/dbraw/zinc/12/42/55/173124255.db2.gz PNBRCDTVTTVGHH-AAEUAGOBSA-N 1 0 259.353 2.496 10 0 CEAERO [NH3+][C@@H](c1ccc2c(c1)CCCC(=O)N2)[C@@H]1CCCO1 ZINC000037371263 173159811 /nfs/dbraw/zinc/15/98/11/173159811.db2.gz BUDRZFXYHQFPGC-ZFWWWQNUSA-N 1 0 260.337 2.140 10 0 CEAERO CC[NH+](CC)CCC[C@H](C)NCC(=O)OC(C)(C)C ZINC000037394132 173174497 /nfs/dbraw/zinc/17/44/97/173174497.db2.gz KSWBZNVFWZSQJY-ZDUSSCGKSA-N 1 0 272.433 2.428 10 0 CEAERO CC(C)[NH2+]CC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000037395998 173176106 /nfs/dbraw/zinc/17/61/06/173176106.db2.gz XONUZOSLPDHINH-NXEZZACHSA-N 1 0 266.307 2.222 10 0 CEAERO C[C@H](Cc1cccs1)[NH2+][C@H]1CN2CCC1CC2 ZINC000037413578 173190129 /nfs/dbraw/zinc/19/01/29/173190129.db2.gz OAGFITLLABWBJI-RISCZKNCSA-N 1 0 250.411 2.363 10 0 CEAERO CSCC[C@@H]([NH3+])c1nc2cc(F)ccc2n1C ZINC000037439282 173209834 /nfs/dbraw/zinc/20/98/34/173209834.db2.gz LFRGREJYBADMSA-SECBINFHSA-N 1 0 253.346 2.465 10 0 CEAERO C[C@@H]([NH3+])Cc1nc2cc(Br)ccc2[nH]1 ZINC000037441166 173211023 /nfs/dbraw/zinc/21/10/23/173211023.db2.gz QAHHHWBJPWCGGC-ZCFIWIBFSA-N 1 0 254.131 2.215 10 0 CEAERO C[C@H]([NH3+])c1nc2cc(Br)ccc2n1C ZINC000037441282 173211082 /nfs/dbraw/zinc/21/10/82/173211082.db2.gz JOFIJYGFOWYIKJ-LURJTMIESA-N 1 0 254.131 2.356 10 0 CEAERO CC(C)[NH2+][C@@](C)(C(N)=O)c1ccc(OC(C)C)cc1 ZINC000037446513 173213738 /nfs/dbraw/zinc/21/37/38/173213738.db2.gz QXGAATLWMPOBFP-OAHLLOKOSA-N 1 0 264.369 2.172 10 0 CEAERO CCC[NH2+][C@@](C)(C(N)=O)c1ccc(OC(C)C)cc1 ZINC000037513834 173244995 /nfs/dbraw/zinc/24/49/95/173244995.db2.gz JTWUPDQEBQTINQ-OAHLLOKOSA-N 1 0 264.369 2.174 10 0 CEAERO CCCN(C(=O)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000037541407 173263233 /nfs/dbraw/zinc/26/32/33/173263233.db2.gz OXMZTLZWFLHGBC-OAHLLOKOSA-N 1 0 260.381 2.220 10 0 CEAERO CCC[N@@H+]1CCC[C@@H]([C@@H](C)Nc2ccn(C)n2)C1 ZINC000037560339 173270374 /nfs/dbraw/zinc/27/03/74/173270374.db2.gz RTWIKVQTPWYHKS-CHWSQXEVSA-N 1 0 250.390 2.343 10 0 CEAERO COc1cc([C@@H](C)[NH2+]C[C@H]2CCOC2)ccc1O ZINC000037738156 173658520 /nfs/dbraw/zinc/65/85/20/173658520.db2.gz RRKQKZCBZVSHPY-GHMZBOCLSA-N 1 0 251.326 2.088 10 0 CEAERO Cc1ccc(C2CC([NH2+]CCC(=O)N(C)C)C2)cc1 ZINC000037751883 173674951 /nfs/dbraw/zinc/67/49/51/173674951.db2.gz TZYVPYMEMINTDN-UHFFFAOYSA-N 1 0 260.381 2.309 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)N(CC)CCc1ccccc1 ZINC000037815036 173763307 /nfs/dbraw/zinc/76/33/07/173763307.db2.gz DJOQLUCUHDJHBD-CQSZACIVSA-N 1 0 262.397 2.466 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)CSc1ccccc1 ZINC000038048553 174059275 /nfs/dbraw/zinc/05/92/75/174059275.db2.gz RUPNDSLEGSJNGU-STQMWFEESA-N 1 0 264.394 2.165 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1cccc(Br)c1 ZINC000038048699 174059396 /nfs/dbraw/zinc/05/93/96/174059396.db2.gz ZXMRIGVXASKVAK-NEPJUHHUSA-N 1 0 297.196 2.449 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)cc1O ZINC000038049189 174060011 /nfs/dbraw/zinc/06/00/11/174060011.db2.gz RDUBPSXUARIZTG-QWRGUYRKSA-N 1 0 268.744 2.045 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1cc(Cl)ccc1F ZINC000038049429 174060427 /nfs/dbraw/zinc/06/04/27/174060427.db2.gz YNSJJSMCKQGJDM-NEPJUHHUSA-N 1 0 270.735 2.479 10 0 CEAERO CCOc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000038049686 174061097 /nfs/dbraw/zinc/06/10/97/174061097.db2.gz LSQQGQXJZOAVOG-CHWSQXEVSA-N 1 0 262.353 2.085 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(F)cc1 ZINC000038049852 174061167 /nfs/dbraw/zinc/06/11/67/174061167.db2.gz PLYIEODWVFJXHG-RYUDHWBXSA-N 1 0 251.305 2.217 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1F ZINC000038049848 174061235 /nfs/dbraw/zinc/06/12/35/174061235.db2.gz SXSBYZZGILEYKU-JQWIXIFHSA-N 1 0 251.305 2.217 10 0 CEAERO c1coc([C@H]([NH2+]C[C@H]2COCCO2)c2ccccc2)c1 ZINC000038060359 174070532 /nfs/dbraw/zinc/07/05/32/174070532.db2.gz BESQBKLJBBZOID-GOEBONIOSA-N 1 0 273.332 2.374 10 0 CEAERO C[C@@H](NC(=O)Nc1cccc(F)c1)[C@@H]1CCCC[NH2+]1 ZINC000038076438 174087028 /nfs/dbraw/zinc/08/70/28/174087028.db2.gz PBBYVLSRXGPXID-MFKMUULPSA-N 1 0 265.332 2.478 10 0 CEAERO COc1cccc(C2CC([NH2+]C[C@@H](C)N(C)C)C2)c1 ZINC000038087778 174100924 /nfs/dbraw/zinc/10/09/24/174100924.db2.gz OGFITHHIJZMEBY-LRVUVFPRSA-N 1 0 262.397 2.481 10 0 CEAERO Cc1csc(CN[C@H](C)[C@H]2CCC[N@H+](C)C2)n1 ZINC000038090930 174104526 /nfs/dbraw/zinc/10/45/26/174104526.db2.gz IHJASVSATQNRAZ-NEPJUHHUSA-N 1 0 253.415 2.271 10 0 CEAERO Cc1ccc(Cl)cc1NC(=O)C[NH2+]C[C@@H]1CCOC1 ZINC000038094261 174107615 /nfs/dbraw/zinc/10/76/15/174107615.db2.gz UADBHQYURBFHLV-NSHDSACASA-N 1 0 282.771 2.213 10 0 CEAERO CC(C)CCCNC(=O)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000038093903 174107744 /nfs/dbraw/zinc/10/77/44/174107744.db2.gz SEFAHEFZAXXNIL-HZSPNIEDSA-N 1 0 252.402 2.460 10 0 CEAERO OC[C@@H]([NH2+]C[C@H]1CCCO1)c1ccc(Cl)cc1 ZINC000038114821 174125223 /nfs/dbraw/zinc/12/52/23/174125223.db2.gz VUYGGWMYBCQYAK-CHWSQXEVSA-N 1 0 255.745 2.142 10 0 CEAERO CC(C)[NH2+]C[C@H](O)COc1ccc(N)c2ccccc12 ZINC000039234988 174166708 /nfs/dbraw/zinc/16/67/08/174166708.db2.gz WQCNPLOKKQZXOS-LBPRGKRZSA-N 1 0 274.364 2.160 10 0 CEAERO CCC[C@H]1CN(Cc2ccc(C(=O)OC)cc2)CC[NH2+]1 ZINC000039952535 174177058 /nfs/dbraw/zinc/17/70/58/174177058.db2.gz GMLHOCRLQJLHGB-HNNXBMFYSA-N 1 0 276.380 2.047 10 0 CEAERO CCCC[C@H]1C[NH2+]CCN1Cc1ccccc1C(=O)OC ZINC000039952577 174178035 /nfs/dbraw/zinc/17/80/35/174178035.db2.gz KLHZPZJVDSPTJA-HNNXBMFYSA-N 1 0 290.407 2.437 10 0 CEAERO C[NH2+]Cc1nc2ccc(Cl)cc2n1CCCOC ZINC000040402976 174253561 /nfs/dbraw/zinc/25/35/61/174253561.db2.gz BRFNWOWBDDMOTA-UHFFFAOYSA-N 1 0 267.760 2.446 10 0 CEAERO COCCCn1c2ccc(Cl)cc2nc1CC[NH3+] ZINC000040403015 174253800 /nfs/dbraw/zinc/25/38/00/174253800.db2.gz GTCKIJDUSQPHCH-UHFFFAOYSA-N 1 0 267.760 2.227 10 0 CEAERO C[C@H]([NH3+])c1cccc(S(=O)(=O)NCC(C)(C)C)c1 ZINC000040495020 174293816 /nfs/dbraw/zinc/29/38/16/174293816.db2.gz WEEMWYVQBRTDRG-JTQLQIEISA-N 1 0 270.398 2.031 10 0 CEAERO Cc1ccc(OC[C@@H](C)[NH2+][C@H](C)C(=O)N2CCCC2)cc1 ZINC000040499960 174296673 /nfs/dbraw/zinc/29/66/73/174296673.db2.gz UUOHLQMAQYHUHC-HUUCEWRRSA-N 1 0 290.407 2.363 10 0 CEAERO CCN1CCC[C@H]([NH2+]Cc2cc(OC)cc(OC)c2)C1 ZINC000040502449 174299359 /nfs/dbraw/zinc/29/93/59/174299359.db2.gz NXRSZDFYTCAALP-AWEZNQCLSA-N 1 0 278.396 2.278 10 0 CEAERO C[NH+](C)CCOc1c(Br)cc(F)cc1C=O ZINC000040541800 174322947 /nfs/dbraw/zinc/32/29/47/174322947.db2.gz JURJTCVGZJSPQG-UHFFFAOYSA-N 1 0 290.132 2.341 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](C(=O)N[C@@H]2CCCC[C@@H]2C(C)(C)C)C1 ZINC000040632716 174359112 /nfs/dbraw/zinc/35/91/12/174359112.db2.gz AJDMLHCJFKOUEL-FQUUOJAGSA-N 1 0 282.428 2.084 10 0 CEAERO COc1cc([C@H](C)[NH2+]CCc2nccn2C)ccc1O ZINC000040638780 174362956 /nfs/dbraw/zinc/36/29/56/174362956.db2.gz MLXHQPCYUFBNMR-NSHDSACASA-N 1 0 275.352 2.028 10 0 CEAERO C[C@H]([NH2+]CCc1nccn1C)c1ccc2c(c1)OCO2 ZINC000040638728 174363341 /nfs/dbraw/zinc/36/33/41/174363341.db2.gz KPFXRWQHJJAXLD-NSHDSACASA-N 1 0 273.336 2.042 10 0 CEAERO C[C@@H]1CCC[C@](C[NH2+][C@@H]2CCCC[C@@H]2O)(N(C)C)C1 ZINC000040669396 174368185 /nfs/dbraw/zinc/36/81/85/174368185.db2.gz CLXKXEXOWISDTA-WCVJEAGWSA-N 1 0 268.445 2.390 10 0 CEAERO C[C@@H]([NH2+]C(C)(C)C(N)=O)c1ccc(F)c(Cl)c1 ZINC000040674316 174372662 /nfs/dbraw/zinc/37/26/62/174372662.db2.gz OZGGXJNVZUSKKW-SSDOTTSWSA-N 1 0 258.724 2.394 10 0 CEAERO CC(C)([NH2+]Cc1cc(Cl)cc(Cl)c1)C(N)=O ZINC000040674747 174373293 /nfs/dbraw/zinc/37/32/93/174373293.db2.gz QYSKKQMJTRMGCH-UHFFFAOYSA-N 1 0 261.152 2.347 10 0 CEAERO C[C@H]1CC[N@H+](CCCC(=O)Nc2cccc(N)c2)C1 ZINC000040716839 174384661 /nfs/dbraw/zinc/38/46/61/174384661.db2.gz AWUGLGXRWZJGCK-LBPRGKRZSA-N 1 0 261.369 2.329 10 0 CEAERO C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(F)c(N)c2)C1 ZINC000040716875 174384682 /nfs/dbraw/zinc/38/46/82/174384682.db2.gz PQRQGPKZNZGNLH-JTQLQIEISA-N 1 0 265.332 2.078 10 0 CEAERO [NH3+]Cc1cccc(NC(=O)Nc2ccc(CCO)cc2)c1 ZINC000040739328 174390006 /nfs/dbraw/zinc/39/00/06/174390006.db2.gz QTHBDDDFHFBOSV-UHFFFAOYSA-N 1 0 285.347 2.324 10 0 CEAERO CCN(C(=O)Cc1cccs1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747772 174393255 /nfs/dbraw/zinc/39/32/55/174393255.db2.gz IKOSDBHJMRBNTJ-FUNVUKJBSA-N 1 0 278.421 2.422 10 0 CEAERO CCN(c1cc(C)cc2ncnn21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748833 174393768 /nfs/dbraw/zinc/39/37/68/174393768.db2.gz CNHFYUGPUWDRIL-PBWFPOADSA-N 1 0 285.395 2.147 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1OC(F)F ZINC000040749663 174394381 /nfs/dbraw/zinc/39/43/81/174394381.db2.gz HJZOEKMSWGNXDZ-FGWVZKOKSA-N 1 0 296.317 2.382 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2c1ccc(Br)cn1 ZINC000040750564 174395740 /nfs/dbraw/zinc/39/57/40/174395740.db2.gz MCTNQDULFLUSLE-FGWVZKOKSA-N 1 0 282.185 2.303 10 0 CEAERO CN(C)Nc1[nH+]cnc(Nc2cccc(Cl)c2)c1N ZINC000040759956 174396746 /nfs/dbraw/zinc/39/67/46/174396746.db2.gz MDSYASSRWODBGY-UHFFFAOYSA-N 1 0 278.747 2.344 10 0 CEAERO O=C(NCC[NH+]1CCCCCC1)[C@@H]1Cc2ccccc2N1 ZINC000040768186 174398659 /nfs/dbraw/zinc/39/86/59/174398659.db2.gz RUYKCYFIXSDMST-INIZCTEOSA-N 1 0 287.407 2.015 10 0 CEAERO c1cc(-c2ccc(C[NH2+][C@H]3CN4CCC3CC4)cc2)n[nH]1 ZINC000040768587 174398789 /nfs/dbraw/zinc/39/87/89/174398789.db2.gz KMKAHHHAFUUPRQ-KRWDZBQOSA-N 1 0 282.391 2.261 10 0 CEAERO CC(C)C[C@H](CO)[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000040775210 174402423 /nfs/dbraw/zinc/40/24/23/174402423.db2.gz BRXARZBVKDQSMC-DLBZAZTESA-N 1 0 276.424 2.258 10 0 CEAERO COc1ccc(Cl)cc1Cn1cc(C(C)(C)[NH3+])nn1 ZINC000070118087 414764922 /nfs/dbraw/zinc/76/49/22/414764922.db2.gz DOYZYEIRKNPVOK-UHFFFAOYSA-N 1 0 280.759 2.182 10 0 CEAERO [NH3+]CCc1noc(-c2cc(Br)ccc2F)n1 ZINC000041061973 174465684 /nfs/dbraw/zinc/46/56/84/174465684.db2.gz XFPWBJGKJPRQGE-UHFFFAOYSA-N 1 0 286.104 2.139 10 0 CEAERO [NH3+][C@H]1CCC[C@@H](C(=O)N[C@@H]2CCc3ccccc32)C1 ZINC000070574382 414771005 /nfs/dbraw/zinc/77/10/05/414771005.db2.gz VZJAANUIOZSHDK-VNHYZAJKSA-N 1 0 258.365 2.308 10 0 CEAERO O=C(CC(F)(F)F)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662843808 414771551 /nfs/dbraw/zinc/77/15/51/414771551.db2.gz VDDCJQQBBNKFRY-LLVKDONJSA-N 1 0 278.318 2.177 10 0 CEAERO C[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000041079102 174473007 /nfs/dbraw/zinc/47/30/07/174473007.db2.gz GSKSPYKOUZLLBY-JTQLQIEISA-N 1 0 255.745 2.475 10 0 CEAERO CC[C@@H]1CN(c2ccccc2S(=O)(=O)CC)CC[C@@H]1[NH3+] ZINC000123036054 414790262 /nfs/dbraw/zinc/79/02/62/414790262.db2.gz VXBZJXOMJXUHAG-OLZOCXBDSA-N 1 0 296.436 2.044 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCC[C@@H](C2CCC2)C1 ZINC000662920843 414801338 /nfs/dbraw/zinc/80/13/38/414801338.db2.gz ZCJVNXHQOSKTOR-RRFJBIMHSA-N 1 0 264.413 2.400 10 0 CEAERO O[C@@H](Cc1cccc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000041458216 174554831 /nfs/dbraw/zinc/55/48/31/174554831.db2.gz WKGNXPJCKIGGDK-YPMHNXCESA-N 1 0 284.197 2.352 10 0 CEAERO Cn1c2ccccc2nc1N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000312536913 414865415 /nfs/dbraw/zinc/86/54/15/414865415.db2.gz QIFXZDSCZZNSCA-LRDDRELGSA-N 1 0 270.380 2.139 10 0 CEAERO CN(C(=O)CCC1CCCC1)[C@H](C[NH3+])C(F)(F)F ZINC000662978671 414816571 /nfs/dbraw/zinc/81/65/71/414816571.db2.gz QZEZZVFGFXWJCA-SNVBAGLBSA-N 1 0 266.307 2.305 10 0 CEAERO C[C@@H]1CCC[C@H](C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000662976518 414817539 /nfs/dbraw/zinc/81/75/39/414817539.db2.gz GALUPSVXRPPYSH-UTLUCORTSA-N 1 0 266.307 2.161 10 0 CEAERO CC[C@H]1COCCN1C(=O)Nc1cccc([C@@H](C)[NH3+])c1 ZINC000041716823 174615426 /nfs/dbraw/zinc/61/54/26/174615426.db2.gz BAPXQZIWGPGAMN-RISCZKNCSA-N 1 0 277.368 2.349 10 0 CEAERO C[C@@H]1Cc2ccccc2N1C(=O)C1CCC([NH3+])CC1 ZINC000311112056 414857269 /nfs/dbraw/zinc/85/72/69/414857269.db2.gz CTOOOFIBVDGWEV-LKSINWNRSA-N 1 0 258.365 2.482 10 0 CEAERO CC(C)(C)c1cc(NC(=O)CC[C@H]2CCC[NH2+]2)n[nH]1 ZINC000311712936 414859460 /nfs/dbraw/zinc/85/94/60/414859460.db2.gz OCRSPXMLJWBOQR-SNVBAGLBSA-N 1 0 264.373 2.178 10 0 CEAERO COCc1csc(C[NH2+][C@H]2CCC[C@@H](O)C2)c1 ZINC000657324760 414861220 /nfs/dbraw/zinc/86/12/20/414861220.db2.gz CVWRSEVZSHFICO-NWDGAFQWSA-N 1 0 255.383 2.288 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]1)N(Cc1ccsc1)C1CC1 ZINC000042171104 174651194 /nfs/dbraw/zinc/65/11/94/174651194.db2.gz ZKBFSEVPZUJPMX-LBPRGKRZSA-N 1 0 264.394 2.381 10 0 CEAERO CC1CCC(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CC1 ZINC000653140162 414920865 /nfs/dbraw/zinc/92/08/65/414920865.db2.gz OKGYROWKVABTAE-KIDURHIOSA-N 1 0 292.345 2.327 10 0 CEAERO COCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000042302736 174678605 /nfs/dbraw/zinc/67/86/05/174678605.db2.gz JPIKRQIQEFELHU-WDEREUQCSA-N 1 0 284.787 2.142 10 0 CEAERO O=C(Nc1ccccc1F)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653056460 414889957 /nfs/dbraw/zinc/88/99/57/414889957.db2.gz HMJJPVMQSDAMHI-HTQZYQBOSA-N 1 0 276.233 2.162 10 0 CEAERO O=C(Nc1ccc(F)cc1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653056699 414890250 /nfs/dbraw/zinc/89/02/50/414890250.db2.gz VQZYPAJWYUMBPF-NXEZZACHSA-N 1 0 276.233 2.162 10 0 CEAERO COCC[C@H]([NH3+])Cc1ccccc1Br ZINC000042436486 174732147 /nfs/dbraw/zinc/73/21/47/174732147.db2.gz DNQOOPQQYUBZTG-JTQLQIEISA-N 1 0 258.159 2.355 10 0 CEAERO CN1C[C@H](C[NH2+]CC2CCC(C(F)(F)F)CC2)CC1=O ZINC000657694536 415050900 /nfs/dbraw/zinc/05/09/00/415050900.db2.gz FFOJHMJGHSURNM-CXQJBGSLSA-N 1 0 292.345 2.423 10 0 CEAERO CCN(C[C@H]([NH3+])Cc1ccccc1)CC(F)(F)F ZINC000042781673 174876969 /nfs/dbraw/zinc/87/69/69/174876969.db2.gz WQSBKWSCXAKCKM-GFCCVEGCSA-N 1 0 260.303 2.441 10 0 CEAERO OCC1CC([NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC000657808409 415086830 /nfs/dbraw/zinc/08/68/30/415086830.db2.gz ISZGUFNEWMWDQM-UHFFFAOYSA-N 1 0 288.160 2.449 10 0 CEAERO C[C@@H]([NH3+])[C@H](Sc1nc[nH]n1)c1cccc(F)c1 ZINC000042974370 174937494 /nfs/dbraw/zinc/93/74/94/174937494.db2.gz ZJZUPGUWXJNBKZ-XCBNKYQSSA-N 1 0 252.318 2.124 10 0 CEAERO CCOC(=O)CS[C@@H](c1cccc(OC)c1)[C@@H](C)[NH3+] ZINC000043032813 174949128 /nfs/dbraw/zinc/94/91/28/174949128.db2.gz INGZZPWCIXMJHV-QMTHXVAHSA-N 1 0 283.393 2.380 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccccc1Cl)n1cncn1 ZINC000043053047 174960818 /nfs/dbraw/zinc/96/08/18/174960818.db2.gz MVNUDIIWNOITOT-RYUDHWBXSA-N 1 0 250.733 2.258 10 0 CEAERO C[C@@H]([NH3+])[C@@H](Oc1ccc(C(N)=O)cc1)c1ccsc1 ZINC000043125229 174977256 /nfs/dbraw/zinc/97/72/56/174977256.db2.gz RNTHCMQODKYGHL-NOZJJQNGSA-N 1 0 276.361 2.314 10 0 CEAERO COc1ccc(S[C@H](C[NH3+])c2cnn(C)c2)cc1 ZINC000043237371 174987683 /nfs/dbraw/zinc/98/76/83/174987683.db2.gz XLHWRJDYNFIETM-CYBMUJFWSA-N 1 0 263.366 2.221 10 0 CEAERO CCC[NH2+][C@H](c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043301428 175001980 /nfs/dbraw/zinc/00/19/80/175001980.db2.gz HNBPCWPLWVUPDW-ZIAGYGMSSA-N 1 0 267.394 2.162 10 0 CEAERO CCC[NH2+][C@@H](c1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043301364 175002060 /nfs/dbraw/zinc/00/20/60/175002060.db2.gz POVJDMFXHUGOIZ-ZFWWWQNUSA-N 1 0 297.420 2.171 10 0 CEAERO CCC[NH2+][C@H](Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043301293 175002156 /nfs/dbraw/zinc/00/21/56/175002156.db2.gz BMGZEKUNDXSTMW-HUUCEWRRSA-N 1 0 281.421 2.032 10 0 CEAERO CCOC(=O)[C@@H](c1cccc(C)c1C)N1CCC[NH2+]CC1 ZINC000043315623 175004529 /nfs/dbraw/zinc/00/45/29/175004529.db2.gz SEEQVPHXDBAXQU-MRXNPFEDSA-N 1 0 290.407 2.203 10 0 CEAERO CCC[NH2+][C@@H]1CCN(c2cccc(F)c2C)C1=O ZINC000043321322 175005949 /nfs/dbraw/zinc/00/59/49/175005949.db2.gz PSHFQSRYJFNIDG-GFCCVEGCSA-N 1 0 250.317 2.239 10 0 CEAERO CC(C)n1ncc2cc(N[C@@H]3CCC[NH2+]C3)cnc21 ZINC000043324961 175006736 /nfs/dbraw/zinc/00/67/36/175006736.db2.gz HJGJPFOIGGNCSW-GFCCVEGCSA-N 1 0 259.357 2.176 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccco1)N(CCCO)C(C)C ZINC000043336114 175012192 /nfs/dbraw/zinc/01/21/92/175012192.db2.gz RTISPVHELKDXFI-TZMCWYRMSA-N 1 0 254.374 2.151 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccccn1)N1CCCC[C@@H]1CCO ZINC000043338900 175013202 /nfs/dbraw/zinc/01/32/02/175013202.db2.gz ANYDRRHYQMWZAO-FMKPAKJESA-N 1 0 277.412 2.097 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1ccccn1)N(C)Cc1cscn1 ZINC000043341212 175015260 /nfs/dbraw/zinc/01/52/60/175015260.db2.gz BZCCYLGTQDOLAA-GWCFXTLKSA-N 1 0 262.382 2.058 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1nccc(=O)[nH]1)c1ccccn1 ZINC000043344831 175016212 /nfs/dbraw/zinc/01/62/12/175016212.db2.gz DZXZRGYKBDZELC-BXKDBHETSA-N 1 0 276.365 2.148 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1cnn(C)c1)c1ccccn1 ZINC000043345364 175016711 /nfs/dbraw/zinc/01/67/11/175016711.db2.gz LRJNEGIBWQCKFW-YPMHNXCESA-N 1 0 262.382 2.386 10 0 CEAERO Cc1cnc(S[C@@H](c2ccccn2)[C@@H](C)[NH3+])nc1 ZINC000043345335 175016726 /nfs/dbraw/zinc/01/67/26/175016726.db2.gz UJNRCPNWWSXMTR-ZYHUDNBSSA-N 1 0 260.366 2.361 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1cccnc1)N(CCO)C1CCCCC1 ZINC000043348320 175018781 /nfs/dbraw/zinc/01/87/81/175018781.db2.gz RAZDGZOPJPFQHL-IRXDYDNUSA-N 1 0 291.439 2.487 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1cccnc1)n1cc(Cl)cn1 ZINC000043348904 175019411 /nfs/dbraw/zinc/01/94/11/175019411.db2.gz IAYPSJSMSKJBDN-NWDGAFQWSA-N 1 0 250.733 2.258 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Oc1ccc(C(N)=O)cc1)c1cccnc1 ZINC000043350666 175019624 /nfs/dbraw/zinc/01/96/24/175019624.db2.gz NODDCEJUHOKNTO-HUUCEWRRSA-N 1 0 285.347 2.038 10 0 CEAERO CCCCOCCO[C@H](c1cccnc1)[C@@H](C)[NH3+] ZINC000043350759 175019699 /nfs/dbraw/zinc/01/96/99/175019699.db2.gz AGQJGVKAZFSWEV-OCCSQVGLSA-N 1 0 252.358 2.303 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccncc1)N1CCCC[C@@H]1CCO ZINC000043353070 175020081 /nfs/dbraw/zinc/02/00/81/175020081.db2.gz OPGVBXBOUOTWIU-PMPSAXMXSA-N 1 0 277.412 2.097 10 0 CEAERO Cc1nnc(S[C@@H](c2cccnc2)[C@H](C)[NH3+])s1 ZINC000043352675 175020519 /nfs/dbraw/zinc/02/05/19/175020519.db2.gz VGZBFNYICQAVCV-OIBJUYFYSA-N 1 0 266.395 2.422 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccncc1)N(CCO)C1CCCCC1 ZINC000043354614 175022295 /nfs/dbraw/zinc/02/22/95/175022295.db2.gz JKNUKXUQSPEBJU-CZUORRHYSA-N 1 0 277.412 2.097 10 0 CEAERO COCCN([C@H](C)C1CC1)[C@@H](c1ccncc1)[C@@H](C)[NH3+] ZINC000043354734 175022387 /nfs/dbraw/zinc/02/23/87/175022387.db2.gz PGPRSSDWAWZXKV-XJKCOSOUSA-N 1 0 277.412 2.217 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1ccncc1)N(CC(F)(F)F)C1CC1 ZINC000043354825 175022604 /nfs/dbraw/zinc/02/26/04/175022604.db2.gz MLQPKZCLVNSPLE-CABZTGNLSA-N 1 0 273.302 2.497 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1ncccn1)c1ccncc1 ZINC000043363278 175024325 /nfs/dbraw/zinc/02/43/25/175024325.db2.gz WBENPLVEEOZTLR-NWDGAFQWSA-N 1 0 260.366 2.442 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)N1CCOC[C@@H]1C ZINC000043364177 175025005 /nfs/dbraw/zinc/02/50/05/175025005.db2.gz YFYZDLWKUVLLJN-SUHUHFCYSA-N 1 0 252.358 2.087 10 0 CEAERO Cc1ccc([C@@H]([C@H](C)[NH3+])N2CCCSCC2)o1 ZINC000043364686 175025341 /nfs/dbraw/zinc/02/53/41/175025341.db2.gz AMWZMKNNRXRFPH-WCQYABFASA-N 1 0 254.399 2.415 10 0 CEAERO Cc1ccc([C@@H](C[NH3+])N(CCO)C2CCCCC2)o1 ZINC000043365188 175026276 /nfs/dbraw/zinc/02/62/76/175026276.db2.gz OKDJSKHQZYJNRI-CQSZACIVSA-N 1 0 266.385 2.215 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1nc[nH]n1)c1ccc(C)o1 ZINC000043367195 175027385 /nfs/dbraw/zinc/02/73/85/175027385.db2.gz GXJLLNHYCKYYRO-WCBMZHEXSA-N 1 0 252.343 2.277 10 0 CEAERO CC[C@@H]([NH3+])[C@H](N(C)Cc1ccco1)C(F)(F)F ZINC000043377206 175030204 /nfs/dbraw/zinc/03/02/04/175030204.db2.gz QXMJYWPYZJPFFA-ZJUUUORDSA-N 1 0 250.264 2.380 10 0 CEAERO COc1cccc(CO[C@@H]([C@H](C)[NH3+])C(F)(F)F)c1 ZINC000043384463 175031733 /nfs/dbraw/zinc/03/17/33/175031733.db2.gz QWSNCHUOBVHYEJ-KWQFWETISA-N 1 0 263.259 2.490 10 0 CEAERO Cc1cc(C)cc([C@@H](C[NH3+])N2CCOCC2(C)C)c1 ZINC000043394354 175035180 /nfs/dbraw/zinc/03/51/80/175035180.db2.gz SEZROVDCYBZZDS-OAHLLOKOSA-N 1 0 262.397 2.414 10 0 CEAERO CCC[NH2+][C@@H](C)CN1CCc2cc(OC)c(OC)cc2C1 ZINC000043817763 175113366 /nfs/dbraw/zinc/11/33/66/175113366.db2.gz YULRSPQHCCYPTB-ZDUSSCGKSA-N 1 0 292.423 2.450 10 0 CEAERO CC[NH2+][C@@H]1CCCC[C@H]1N(C)CCc1ccccn1 ZINC000043818867 175113758 /nfs/dbraw/zinc/11/37/58/175113758.db2.gz PAMPGNXYHBQCES-HZPDHXFCSA-N 1 0 261.413 2.477 10 0 CEAERO CC[NH2+][C@H]1CCCC[C@@H]1N(C)CCc1ccccn1 ZINC000043818865 175113885 /nfs/dbraw/zinc/11/38/85/175113885.db2.gz PAMPGNXYHBQCES-HOTGVXAUSA-N 1 0 261.413 2.477 10 0 CEAERO CCOc1ccccc1[C@@H](CN1CCC(OC)CC1)[NH2+]C ZINC000043890023 175117637 /nfs/dbraw/zinc/11/76/37/175117637.db2.gz LAILMAVSXNENIU-MRXNPFEDSA-N 1 0 292.423 2.457 10 0 CEAERO CCC[NH2+][C@@H]1CCOC[C@@H]1N(CC)C1CCCC1 ZINC000043890904 175118346 /nfs/dbraw/zinc/11/83/46/175118346.db2.gz BDXARPUKCXZVIC-CABCVRRESA-N 1 0 254.418 2.408 10 0 CEAERO CCC[C@H](C)N(C)[C@@H]1CC2(CC[C@@H]1[NH2+]CC)OCCO2 ZINC000043896497 175119301 /nfs/dbraw/zinc/11/93/01/175119301.db2.gz ONIFDNURAKKNEY-SOUVJXGZSA-N 1 0 284.444 2.381 10 0 CEAERO C[NH2+][C@H](c1ccc(OC)cc1)[C@H](C)N1CCOC(C)(C)C1 ZINC000043897700 175120682 /nfs/dbraw/zinc/12/06/82/175120682.db2.gz TWRPZLIQLMZSPQ-BBRMVZONSA-N 1 0 292.423 2.455 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2C[C@@H]1N1CCOC(C)(C)C1 ZINC000043897869 175120711 /nfs/dbraw/zinc/12/07/11/175120711.db2.gz NNNQKKVMSZKVAP-HOTGVXAUSA-N 1 0 274.408 2.373 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2C[C@@H]1N1CCOC(C)(C)C1 ZINC000043897867 175120747 /nfs/dbraw/zinc/12/07/47/175120747.db2.gz NNNQKKVMSZKVAP-JKSUJKDBSA-N 1 0 274.408 2.373 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2C[C@H]1N(C)C1CCOCC1 ZINC000043898419 175121198 /nfs/dbraw/zinc/12/11/98/175121198.db2.gz AJDSOEVYDSOEBZ-SJORKVTESA-N 1 0 274.408 2.373 10 0 CEAERO CCC[NH2+][C@H]1CCCC[C@@H]1N1CCOC(C)(C)C1 ZINC000043898058 175121411 /nfs/dbraw/zinc/12/14/11/175121411.db2.gz DOQZFMUWSJHXBH-KBPBESRZSA-N 1 0 254.418 2.408 10 0 CEAERO CC[NH2+][C@@H]1CCOC[C@H]1N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000043900042 175122191 /nfs/dbraw/zinc/12/21/91/175122191.db2.gz QJIISSCGMZMPJZ-ZJIFWQFVSA-N 1 0 266.429 2.266 10 0 CEAERO C[NH2+][C@H]1c2ccccc2OC[C@H]1N(C)CC(F)(F)F ZINC000043900815 175122199 /nfs/dbraw/zinc/12/21/99/175122199.db2.gz YDLLVGDDBTVYBR-PWSUYJOCSA-N 1 0 274.286 2.202 10 0 CEAERO CCOC1CCN([C@@H]2Cc3ccccc3[C@@H]2[NH2+]C)CC1 ZINC000043907011 175122606 /nfs/dbraw/zinc/12/26/06/175122606.db2.gz HYKMMFXWTIMGSU-SJORKVTESA-N 1 0 274.408 2.373 10 0 CEAERO CCC[NH2+][C@H](CN(C)CCOC)c1ccccc1 ZINC000043916187 175125100 /nfs/dbraw/zinc/12/51/00/175125100.db2.gz KEJFYISOYWLFIL-OAHLLOKOSA-N 1 0 250.386 2.306 10 0 CEAERO C[NH2+][C@@H](CN(C)C[C@@H]1CCCCO1)c1ccccc1OC ZINC000043966378 175127929 /nfs/dbraw/zinc/12/79/29/175127929.db2.gz ALDSHMCMMUNWLI-HOCLYGCPSA-N 1 0 292.423 2.457 10 0 CEAERO CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N(C)Cc1cnn(C)c1 ZINC000043967232 175128367 /nfs/dbraw/zinc/12/83/67/175128367.db2.gz IDEGHJQNIXUEFE-QEJZJMRPSA-N 1 0 264.417 2.019 10 0 CEAERO CCc1ccc([C@H](CN(CC)CCOC)[NH2+]C)cc1 ZINC000043968562 175129601 /nfs/dbraw/zinc/12/96/01/175129601.db2.gz XAORUKZRNGISBC-INIZCTEOSA-N 1 0 264.413 2.478 10 0 CEAERO CCC[NH2+][C@H]1c2ccccc2OC[C@@H]1N(C)[C@@H](C)COC ZINC000043969533 175130537 /nfs/dbraw/zinc/13/05/37/175130537.db2.gz ONJLETLKZPEUNQ-QRTARXTBSA-N 1 0 292.423 2.455 10 0 CEAERO C[NH2+][C@H]1c2ccccc2OC[C@H]1N(CCOC)CC(C)C ZINC000043970311 175131016 /nfs/dbraw/zinc/13/10/16/175131016.db2.gz UKEWGFYPWUWHGB-WBVHZDCISA-N 1 0 292.423 2.313 10 0 CEAERO C[NH2+][C@H](CN(CCOC)C1CC1)c1cccc(OC)c1 ZINC000043969695 175131283 /nfs/dbraw/zinc/13/12/83/175131283.db2.gz DBXQSMLNOABULK-MRXNPFEDSA-N 1 0 278.396 2.067 10 0 CEAERO CC[NH2+][C@H]1CCCCC[C@@H]1N(CCCOC)CCOC ZINC000043970975 175131813 /nfs/dbraw/zinc/13/18/13/175131813.db2.gz QTMAYHYNPZESGE-HOTGVXAUSA-N 1 0 286.460 2.282 10 0 CEAERO Cc1ccsc1[C@H](C[NH3+])N1CCO[C@H]2CCC[C@@H]21 ZINC000044420355 175173628 /nfs/dbraw/zinc/17/36/28/175173628.db2.gz RWZWYKKXHQRDDF-AVGNSLFASA-N 1 0 266.410 2.310 10 0 CEAERO C[C@@H](Oc1ccc2c(c1)CCC[C@H]2[NH3+])C(=O)N1CCCC1 ZINC000044744898 175241391 /nfs/dbraw/zinc/24/13/91/175241391.db2.gz ZQGATFIUPGNCLS-MLGOLLRUSA-N 1 0 288.391 2.412 10 0 CEAERO CCNC(=O)[C@@H](C)Oc1ccc2c(c1)CCC[C@@H]2[NH2+]C ZINC000044745305 175241554 /nfs/dbraw/zinc/24/15/54/175241554.db2.gz XKFMTETXZUJPQP-ABAIWWIYSA-N 1 0 276.380 2.187 10 0 CEAERO C[C@H](Oc1ccc2c(c1)CCC[C@H]2[NH3+])C(=O)NC1CC1 ZINC000044744933 175241659 /nfs/dbraw/zinc/24/16/59/175241659.db2.gz CGNCFWCKFZVZDC-ZUZCIYMTSA-N 1 0 274.364 2.069 10 0 CEAERO CCOC(=O)COc1ccc2c(c1)CCC[C@H]2[NH2+]C ZINC000044745270 175241669 /nfs/dbraw/zinc/24/16/69/175241669.db2.gz WGYWBOHMIVGLIP-CQSZACIVSA-N 1 0 263.337 2.225 10 0 CEAERO Cc1cc(N)ccc1C(=O)NCCC[NH+]1CCCCC1 ZINC000044748620 175243851 /nfs/dbraw/zinc/24/38/51/175243851.db2.gz PBZRAIBQGSZGLQ-UHFFFAOYSA-N 1 0 275.396 2.183 10 0 CEAERO [NH3+]CC1(C(=O)N2CCc3ccccc32)CCCCC1 ZINC000044753303 175245442 /nfs/dbraw/zinc/24/54/42/175245442.db2.gz GAVQFJQOWRDGAN-UHFFFAOYSA-N 1 0 258.365 2.485 10 0 CEAERO CCN(C(=O)C1(C[NH3+])CCOCC1)c1cccc(C)c1 ZINC000044763155 175247148 /nfs/dbraw/zinc/24/71/48/175247148.db2.gz SXJJMFWNELPMTJ-UHFFFAOYSA-N 1 0 276.380 2.103 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]CC[C@H](COC)OC)c1C ZINC000658081200 415197229 /nfs/dbraw/zinc/19/72/29/415197229.db2.gz BKMLAWKJYFKPTA-SMDDNHRTSA-N 1 0 283.416 2.222 10 0 CEAERO COc1ccc(NC(=O)[C@H](C[NH3+])Cc2ccccc2)cc1 ZINC000044793243 175254302 /nfs/dbraw/zinc/25/43/02/175254302.db2.gz NCYXCDCHBKCFLD-AWEZNQCLSA-N 1 0 284.359 2.451 10 0 CEAERO Cc1cccc(NC(=O)[C@H](C[NH3+])Cc2ccccc2)n1 ZINC000044799243 175255074 /nfs/dbraw/zinc/25/50/74/175255074.db2.gz HKSRTYOZKBEVNU-AWEZNQCLSA-N 1 0 269.348 2.146 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000044798776 175255131 /nfs/dbraw/zinc/25/51/31/175255131.db2.gz HQOCAUFBNQVPPJ-QMMMGPOBSA-N 1 0 286.278 2.322 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)Nc1cc(C)ccc1OC ZINC000044798888 175255167 /nfs/dbraw/zinc/25/51/67/175255167.db2.gz NLYGAANDGYSYDL-LLVKDONJSA-N 1 0 250.342 2.317 10 0 CEAERO Cc1ccc(NC(=O)[C@H](C[NH3+])Cc2ccccc2)nc1 ZINC000044799274 175255230 /nfs/dbraw/zinc/25/52/30/175255230.db2.gz PZXZQVXMGDKKOJ-AWEZNQCLSA-N 1 0 269.348 2.146 10 0 CEAERO C[C@@H](NC(=O)[C@H](C[NH3+])Cc1ccccc1)c1ccco1 ZINC000044801382 175255580 /nfs/dbraw/zinc/25/55/80/175255580.db2.gz DJRZSPISJIIOGR-OCCSQVGLSA-N 1 0 272.348 2.274 10 0 CEAERO CC(C)[C@@H](C[NH3+])C(=O)N(CC(F)(F)F)C(C)C ZINC000044808191 175257067 /nfs/dbraw/zinc/25/70/67/175257067.db2.gz GIIYCMAUTAIPKX-SECBINFHSA-N 1 0 254.296 2.017 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N[C@H](C)c1cc(C)oc1C ZINC000044808554 175257670 /nfs/dbraw/zinc/25/76/70/175257670.db2.gz UHAKAVHZIVEEHR-ZYHUDNBSSA-N 1 0 252.358 2.449 10 0 CEAERO CCCC(CCC)(C(N)=S)C(=O)N1CCC[N@H+](C)CC1 ZINC000044833505 175261971 /nfs/dbraw/zinc/26/19/71/175261971.db2.gz WBGROQBPXAPKOR-UHFFFAOYSA-N 1 0 299.484 2.023 10 0 CEAERO COCCNC(=O)[C@H](C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC000045045082 175296327 /nfs/dbraw/zinc/29/63/27/175296327.db2.gz BLDRXJWNNLCHFD-ZDUSSCGKSA-N 1 0 278.396 2.051 10 0 CEAERO C[N@H+](CC(=O)Nc1ccc(F)cc1N)CC(C)(C)C ZINC000045064483 175299084 /nfs/dbraw/zinc/29/90/84/175299084.db2.gz VJEVROPMGIBKCH-UHFFFAOYSA-N 1 0 267.348 2.324 10 0 CEAERO CN(CC(C)(C)C)C(=O)COc1ccc(C[NH3+])cc1 ZINC000045064719 175299399 /nfs/dbraw/zinc/29/93/99/175299399.db2.gz KFMZQJJKUBTUMX-UHFFFAOYSA-N 1 0 264.369 2.029 10 0 CEAERO CCCCc1ccc([C@@H](C)[NH2+]CCCS(N)(=O)=O)cc1 ZINC000045067554 175300190 /nfs/dbraw/zinc/30/01/90/175300190.db2.gz FDJQWCGFRWOTCI-CYBMUJFWSA-N 1 0 298.452 2.358 10 0 CEAERO C[N@H+](C[C@H](O)c1ccc(C(N)=S)cc1)CC(C)(C)C ZINC000045073852 175302475 /nfs/dbraw/zinc/30/24/75/175302475.db2.gz NPDZVZFKTGPFOF-ZDUSSCGKSA-N 1 0 280.437 2.332 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N[C@H]2CC2(C)C)cc1 ZINC000045138130 175314681 /nfs/dbraw/zinc/31/46/81/175314681.db2.gz XIEICVWUSDMAAW-FZMZJTMJSA-N 1 0 296.436 2.434 10 0 CEAERO CC[C@H]([NH2+]C)c1cccc(S(=O)(=O)N[C@H]2CC2(C)C)c1 ZINC000045138179 175314917 /nfs/dbraw/zinc/31/49/17/175314917.db2.gz SJTDSYQBEAIXJS-KBPBESRZSA-N 1 0 296.436 2.434 10 0 CEAERO C[C@@H](C(N)=S)[N@H+](C)Cc1cccc2cccnc21 ZINC000045147134 175317373 /nfs/dbraw/zinc/31/73/73/175317373.db2.gz KLLVJJRZWUSLAX-JTQLQIEISA-N 1 0 259.378 2.341 10 0 CEAERO CCn1nc(C)c(-c2csc(CC[NH3+])n2)c1C ZINC000045167976 175319278 /nfs/dbraw/zinc/31/92/78/175319278.db2.gz XXDVFHWJPHIGIG-UHFFFAOYSA-N 1 0 250.371 2.145 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000045168981 175320177 /nfs/dbraw/zinc/32/01/77/175320177.db2.gz QDPAZATYQOWYMM-CWSCBRNRSA-N 1 0 251.374 2.255 10 0 CEAERO Cc1nn(C)c(C)c1-c1c[nH]c([C@H]([NH3+])c2ccccc2)n1 ZINC000045169404 175320181 /nfs/dbraw/zinc/32/01/81/175320181.db2.gz NEPZJAUCSFMWAK-OAHLLOKOSA-N 1 0 281.363 2.475 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]CCCC(=O)OC)c1C ZINC000045171343 175321364 /nfs/dbraw/zinc/32/13/64/175321364.db2.gz CSJYOIZSXYXSCY-SNVBAGLBSA-N 1 0 267.373 2.124 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]CCn2ccnc2)c1C ZINC000045172258 175321477 /nfs/dbraw/zinc/32/14/77/175321477.db2.gz JFKBGIVMECKLFF-NSHDSACASA-N 1 0 261.373 2.067 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]C[C@H]1CCCOC1 ZINC000045171960 175321524 /nfs/dbraw/zinc/32/15/24/175321524.db2.gz KGQRRRDPDMFBHQ-ZWNOBZJWSA-N 1 0 251.374 2.114 10 0 CEAERO Cc1nn(C)c(C)c1[C@H](C)[NH2+][C@H](CN(C)C)C(C)C ZINC000045172440 175321610 /nfs/dbraw/zinc/32/16/10/175321610.db2.gz OSJKYENQYVRYRR-SMDDNHRTSA-N 1 0 266.433 2.274 10 0 CEAERO Cc1nn(C)c(C)c1[C@H](C)[NH2+]CCN1CCCCC1 ZINC000045172597 175321689 /nfs/dbraw/zinc/32/16/89/175321689.db2.gz XQXGDCJDDUDSRD-LBPRGKRZSA-N 1 0 264.417 2.173 10 0 CEAERO CCCC[N@H+](CC)CC[C@](C)(NC1CC1)C(=O)OC ZINC000045223430 175331627 /nfs/dbraw/zinc/33/16/27/175331627.db2.gz UUDJHRYXFLUAHL-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO COC(=O)[C@@](C)(CCN1CCc2ccccc21)NC(C)C ZINC000045224354 175331829 /nfs/dbraw/zinc/33/18/29/175331829.db2.gz YPKKDBMSLABBRJ-QGZVFWFLSA-N 1 0 290.407 2.369 10 0 CEAERO CCOC(=O)[C@](C)(C[N@@H+]1CCCC[C@@H]1C)NC(C)C ZINC000045226994 175333231 /nfs/dbraw/zinc/33/32/31/175333231.db2.gz WHWQXQIFYVJKQY-ZFWWWQNUSA-N 1 0 270.417 2.181 10 0 CEAERO CCCC[NH+](CCCC)C[C@](N)(C(N)=O)c1ccccc1 ZINC000045232658 175336154 /nfs/dbraw/zinc/33/61/54/175336154.db2.gz WRRQZPRHBYYUHR-QGZVFWFLSA-N 1 0 291.439 2.228 10 0 CEAERO CCOC(=O)[C@](C)(CC[N@H+](C)[C@@H](C)CC)NC1CC1 ZINC000045264006 175337481 /nfs/dbraw/zinc/33/74/81/175337481.db2.gz RCCLZZMVENZSDH-WFASDCNBSA-N 1 0 270.417 2.181 10 0 CEAERO CCCN[C@@](C)(CC[N@H+](CC)C(C)C)C(=O)OCC ZINC000045265667 175338138 /nfs/dbraw/zinc/33/81/38/175338138.db2.gz IDLCFPVKWTYYEQ-HNNXBMFYSA-N 1 0 272.433 2.428 10 0 CEAERO CCC[N@H+](CC[C@](C)([NH2+]C1CC1)C(=O)[O-])C(C)C ZINC000045266880 175338965 /nfs/dbraw/zinc/33/89/65/175338965.db2.gz MNVINPXIWPDUPJ-AWEZNQCLSA-N 1 0 256.390 2.092 10 0 CEAERO CCOC(=O)[C@](C)(CC[N@@H+]1CCCC[C@@H]1CC)NC ZINC000045265958 175339246 /nfs/dbraw/zinc/33/92/46/175339246.db2.gz AYQVWVRXUDDPLE-ZFWWWQNUSA-N 1 0 270.417 2.182 10 0 CEAERO CCCN[C@](C)(C[N@H+](CCC)C1CC1)C(=O)OCC ZINC000045267887 175339655 /nfs/dbraw/zinc/33/96/55/175339655.db2.gz KHDRXSCWMDEXTP-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CCC[N@H+](CC)C[C@@](N)(C(=O)OCC)c1ccccc1 ZINC000045267430 175340288 /nfs/dbraw/zinc/34/02/88/175340288.db2.gz BASVZYWXZWZTTG-INIZCTEOSA-N 1 0 278.396 2.136 10 0 CEAERO CCCCC[N@H+](C)C[C@@](C)(NC(C)C)C(=O)OC ZINC000045268160 175340529 /nfs/dbraw/zinc/34/05/29/175340529.db2.gz XDZHFANKMQAIIJ-CQSZACIVSA-N 1 0 258.406 2.038 10 0 CEAERO COC(=O)[C@](C)(CC[N@H+](C)[C@@H](C)C(C)C)NC1CC1 ZINC000045269978 175341713 /nfs/dbraw/zinc/34/17/13/175341713.db2.gz ZAEDXBNJIMSOAL-WFASDCNBSA-N 1 0 270.417 2.037 10 0 CEAERO CCC[NH2+][C@@](C)(CC[N@H+](C)C(CC)CC)C(=O)[O-] ZINC000045269690 175341745 /nfs/dbraw/zinc/34/17/45/175341745.db2.gz YCNDGVBWGMXDLX-AWEZNQCLSA-N 1 0 258.406 2.340 10 0 CEAERO CCC[NH2+][C@](C)(CC[N@H+](C)[C@@H](C)C(C)C)C(=O)[O-] ZINC000045269904 175341779 /nfs/dbraw/zinc/34/17/79/175341779.db2.gz TYEFGVBUDJZSBN-GXTWGEPZSA-N 1 0 258.406 2.196 10 0 CEAERO CCCN[C@@](C)(C[N@H+](C)[C@@H](C)C1CC1)C(=O)OCC ZINC000045270264 175341795 /nfs/dbraw/zinc/34/17/95/175341795.db2.gz BEMLMNPBFUTURV-WFASDCNBSA-N 1 0 270.417 2.038 10 0 CEAERO CCCN[C@@](C)(CC[N@H+](C)C1CCCCCC1)C(N)=O ZINC000045272006 175342339 /nfs/dbraw/zinc/34/23/39/175342339.db2.gz TXACZSKOYQYUJT-INIZCTEOSA-N 1 0 283.460 2.275 10 0 CEAERO CCC[N@H+](CC[C@@](C)(NC(C)C)C(=O)OC)CC1CC1 ZINC000045276938 175346916 /nfs/dbraw/zinc/34/69/16/175346916.db2.gz BPCQUUISRZARDX-MRXNPFEDSA-N 1 0 284.444 2.428 10 0 CEAERO CCC(CC)C[N@H+](CC)C[C@@](N)(C(N)=O)c1ccccc1 ZINC000045277744 175347328 /nfs/dbraw/zinc/34/73/28/175347328.db2.gz JOLXTPXPVBKLCV-KRWDZBQOSA-N 1 0 291.439 2.084 10 0 CEAERO CCN[C@@](C)(C[N@H+](CC(C)C)C1CC1)C(=O)OCC ZINC000045277491 175347447 /nfs/dbraw/zinc/34/74/47/175347447.db2.gz UJXCXYIIUCRNIJ-HNNXBMFYSA-N 1 0 270.417 2.038 10 0 CEAERO CCOC(=O)[C@@](C)(N)CC[N@H+](CC)CC(CC)CC ZINC000045277830 175348394 /nfs/dbraw/zinc/34/83/94/175348394.db2.gz UUJGBTNFMKABJX-HNNXBMFYSA-N 1 0 272.433 2.415 10 0 CEAERO COC(=O)[C@@](C)(CC[N@H+](C)CC(C)(C)C)NC(C)C ZINC000045279392 175348988 /nfs/dbraw/zinc/34/89/88/175348988.db2.gz HRSXVMBUVDZZAU-OAHLLOKOSA-N 1 0 272.433 2.284 10 0 CEAERO CC(C)N[C@@](C)(CC[N@H+](C)[C@@H]1CCCC[C@@H]1C)C(N)=O ZINC000045279142 175349317 /nfs/dbraw/zinc/34/93/17/175349317.db2.gz YWHYGIKLUYNWMB-LZWOXQAQSA-N 1 0 283.460 2.129 10 0 CEAERO CCN[C@@](C)(CC[N@H+](C)CC(C)(C)C)C(=O)OCC ZINC000045279381 175349377 /nfs/dbraw/zinc/34/93/77/175349377.db2.gz OYJNQIVCUGAJHK-HNNXBMFYSA-N 1 0 272.433 2.286 10 0 CEAERO COC(=O)[C@](C)(CC[N@H+](C)CC(C)(C)C)NC1CC1 ZINC000045279397 175349436 /nfs/dbraw/zinc/34/94/36/175349436.db2.gz PSXYJZCWZUMPAW-HNNXBMFYSA-N 1 0 270.417 2.038 10 0 CEAERO CCOC(=O)[C@@](C)(CC[N@H+](C)CC1CCCCC1)NC ZINC000045281644 175352443 /nfs/dbraw/zinc/35/24/43/175352443.db2.gz POKGRKSKPMIVIH-MRXNPFEDSA-N 1 0 284.444 2.430 10 0 CEAERO CC[NH2+][C@@](C)(CCC[N@@H+]1CCC[C@@H]1CC)C(=O)[O-] ZINC000045367452 175363031 /nfs/dbraw/zinc/36/30/31/175363031.db2.gz SMXBSBLWDYRHLU-JSGCOSHPSA-N 1 0 256.390 2.094 10 0 CEAERO CCCC[N@H+](CC)CCCC[C@](C)([NH2+]C)C(=O)[O-] ZINC000045370377 175363579 /nfs/dbraw/zinc/36/35/79/175363579.db2.gz GGWXMZKTZJIPEQ-AWEZNQCLSA-N 1 0 258.406 2.341 10 0 CEAERO CCOC(=O)[C@](C)(N)CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000045373497 175365154 /nfs/dbraw/zinc/36/51/54/175365154.db2.gz IGOAURDEEHOMBE-VNHYZAJKSA-N 1 0 270.417 2.025 10 0 CEAERO CCOC(=O)[C@](C)(CCC[N@H+](C)C(C)C)NC1CC1 ZINC000045378105 175367353 /nfs/dbraw/zinc/36/73/53/175367353.db2.gz FUBOXLLJDGPJPY-HNNXBMFYSA-N 1 0 270.417 2.181 10 0 CEAERO COC(=O)[C@@](C)(CCC[N@H+](C)C(C)C)NC(C)C ZINC000045378090 175367648 /nfs/dbraw/zinc/36/76/48/175367648.db2.gz YFUYAQSPQTYVBS-CQSZACIVSA-N 1 0 258.406 2.037 10 0 CEAERO COC(=O)[C@](C)(CCC[NH+]1CCCCC1)NC(C)C ZINC000045378359 175367856 /nfs/dbraw/zinc/36/78/56/175367856.db2.gz VIOIBPKBXMVQCU-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO COC(=O)[C@@](C)(N)CCCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000045379567 175367992 /nfs/dbraw/zinc/36/79/92/175367992.db2.gz MFESVSSGJXJWKR-GUTXKFCHSA-N 1 0 270.417 2.310 10 0 CEAERO CC(C)C[N@H+](C)CCC[C@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045380950 175369653 /nfs/dbraw/zinc/36/96/53/175369653.db2.gz QANOQTLHOPFXQQ-AWEZNQCLSA-N 1 0 258.406 2.196 10 0 CEAERO COC(=O)[C@](C)(CCCC[N@H+](C)C1CC1)NC(C)C ZINC000045383225 175371006 /nfs/dbraw/zinc/37/10/06/175371006.db2.gz ROUBAPKCLVLUBV-HNNXBMFYSA-N 1 0 270.417 2.181 10 0 CEAERO CC[N@H+](CCC[C@@](C)(NC1CC1)C(=O)OC)C(C)C ZINC000045383900 175371052 /nfs/dbraw/zinc/37/10/52/175371052.db2.gz BVXBDLCJPCMXKA-OAHLLOKOSA-N 1 0 270.417 2.181 10 0 CEAERO CCC[N@H+](C)CCC[C@](C)(NCC)C(=O)OCC ZINC000045382355 175371145 /nfs/dbraw/zinc/37/11/45/175371145.db2.gz DMXWEDKHRVAPSK-AWEZNQCLSA-N 1 0 258.406 2.040 10 0 CEAERO C[N@H+](CCC[C@](C)([NH2+]C1CC1)C(=O)[O-])C1CCCC1 ZINC000045384804 175372139 /nfs/dbraw/zinc/37/21/39/175372139.db2.gz MXAVJLWQERQPGF-HNNXBMFYSA-N 1 0 268.401 2.236 10 0 CEAERO CCN[C@@](C)(CCC[N@H+](C)C[C@@H](C)CC)C(=O)OC ZINC000045388660 175374099 /nfs/dbraw/zinc/37/40/99/175374099.db2.gz VCDZAKFWJVPDBQ-ZFWWWQNUSA-N 1 0 272.433 2.286 10 0 CEAERO CCN[C@@](C)(CCC[N@H+](C)[C@@H](C)C(C)C)C(=O)OC ZINC000045392133 175375305 /nfs/dbraw/zinc/37/53/05/175375305.db2.gz JOSDRYWWPUOITL-ZFWWWQNUSA-N 1 0 272.433 2.284 10 0 CEAERO CCN[C@@](C)(CCCC[N@H+](C)[C@@H](C)C1CC1)C(=O)OC ZINC000045392861 175375654 /nfs/dbraw/zinc/37/56/54/175375654.db2.gz YFXUZKHMLVDYMO-BBRMVZONSA-N 1 0 284.444 2.428 10 0 CEAERO CC[NH2+][C@@](C)(CCCN(CC)c1cccc(F)c1)C(N)=O ZINC000045421335 175380118 /nfs/dbraw/zinc/38/01/18/175380118.db2.gz KTFYTVDMGHQTPC-INIZCTEOSA-N 1 0 295.402 2.286 10 0 CEAERO CCOC(=O)[C@@H](C[N@H+](C)[C@@H](C)C(C)(C)C)NC1CC1 ZINC000045420967 175380293 /nfs/dbraw/zinc/38/02/93/175380293.db2.gz PJLJRWJFYPZWBZ-WCQYABFASA-N 1 0 270.417 2.037 10 0 CEAERO CCC[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)C1CCCC1 ZINC000658239881 415274313 /nfs/dbraw/zinc/27/43/13/415274313.db2.gz GXHBTLHCAATFNF-TZMCWYRMSA-N 1 0 252.402 2.413 10 0 CEAERO CC[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1cccs1 ZINC000658243658 415279332 /nfs/dbraw/zinc/27/93/32/415279332.db2.gz FOLMJHKFFIANHG-GHMZBOCLSA-N 1 0 252.383 2.267 10 0 CEAERO CN1C[C@H](C[NH2+]C2CC(c3ccccc3)C2)CC1=O ZINC000658244896 415281313 /nfs/dbraw/zinc/28/13/13/415281313.db2.gz VAZQPPDUGILQEE-GRTSSRMGSA-N 1 0 258.365 2.001 10 0 CEAERO [NH3+]C1CCC(C(=O)N2CCC[C@H](OC3CCC3)C2)CC1 ZINC000655494691 415306933 /nfs/dbraw/zinc/30/69/33/415306933.db2.gz GMRDYTDSNYPWJN-PIMMBPRGSA-N 1 0 280.412 2.064 10 0 CEAERO Cc1ccc(CNC(=O)[C@@H](C[NH3+])c2ccccc2)cc1F ZINC000061611250 175651706 /nfs/dbraw/zinc/65/17/06/175651706.db2.gz WFDIJZJDXWFESD-HNNXBMFYSA-N 1 0 286.350 2.493 10 0 CEAERO C[C@]1(C(=O)Nc2ccc(F)c(F)c2F)CC[NH2+]C1 ZINC000062888254 175676718 /nfs/dbraw/zinc/67/67/18/175676718.db2.gz KTHWCBHYCWZXQN-LBPRGKRZSA-N 1 0 258.243 2.042 10 0 CEAERO CS(=O)(=O)c1ccc(C[NH2+][C@@H]2C[C@H]3CC=C[C@@H]32)cc1 ZINC000070141869 175873425 /nfs/dbraw/zinc/87/34/25/175873425.db2.gz HUVWKNMZNIFOIB-VHDGCEQUSA-N 1 0 277.389 2.144 10 0 CEAERO CC(C)[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)N2CCCCC2)CCO1 ZINC000070358549 175888496 /nfs/dbraw/zinc/88/84/96/175888496.db2.gz PRLUPFLRVGATNU-SOUVJXGZSA-N 1 0 282.428 2.181 10 0 CEAERO CC(C)[C@H]1C[C@](CN)([N@H+](C)C2CCCC2)CCO1 ZINC000070363154 175891299 /nfs/dbraw/zinc/89/12/99/175891299.db2.gz UYUGVMMLSWESAT-HUUCEWRRSA-N 1 0 254.418 2.393 10 0 CEAERO C[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(=O)c1coc2ccccc12 ZINC000070392812 175907799 /nfs/dbraw/zinc/90/77/99/175907799.db2.gz KRFBYZUUDQFVKV-SUNKGSAMSA-N 1 0 270.332 2.255 10 0 CEAERO CCC[NH2+][C@@H](Cc1cccnc1N)c1cccnc1 ZINC000070407107 175913518 /nfs/dbraw/zinc/91/35/18/175913518.db2.gz OEFVBTWZMPHKRC-AWEZNQCLSA-N 1 0 256.353 2.342 10 0 CEAERO CCCc1cc(NC2CC[NH2+]CC2)nc(-c2cnccn2)n1 ZINC000070451752 175939957 /nfs/dbraw/zinc/93/99/57/175939957.db2.gz DRSJRQWBVUSEOK-UHFFFAOYSA-N 1 0 298.394 2.050 10 0 CEAERO Cc1ccc(C)c(-c2cc(N3CC[C@H]([NH3+])C3)n[nH]2)c1 ZINC000070460225 175942509 /nfs/dbraw/zinc/94/25/09/175942509.db2.gz NYTLNPRIGOFNBV-LBPRGKRZSA-N 1 0 256.353 2.231 10 0 CEAERO C[NH2+]Cc1cnn(-c2cc(F)c(F)cc2F)c1C ZINC000070483505 175953669 /nfs/dbraw/zinc/95/36/69/175953669.db2.gz BUTOUXYJORDFTE-UHFFFAOYSA-N 1 0 255.243 2.317 10 0 CEAERO CC[C@@H](C)COc1cncc(N2CCC[NH2+]CC2)c1 ZINC000070488242 175954979 /nfs/dbraw/zinc/95/49/79/175954979.db2.gz RDMCCKUGGCQBAU-CYBMUJFWSA-N 1 0 263.385 2.306 10 0 CEAERO C[C@H]([NH3+])[C@H](N(CC1CC1)CC1CC1)C(F)(F)F ZINC000070504137 175958760 /nfs/dbraw/zinc/95/87/60/175958760.db2.gz WBQLJGLTMPCMAF-KWQFWETISA-N 1 0 250.308 2.387 10 0 CEAERO CCOC(=O)CC[C@@H]([NH3+])c1ccc2c(c1)OC[C@H](C)CO2 ZINC000070510475 175960530 /nfs/dbraw/zinc/96/05/30/175960530.db2.gz GRTURRCSHFZLQT-DGCLKSJQSA-N 1 0 293.363 2.437 10 0 CEAERO CCC[NH2+][C@](CO)(CN1CCc2ccccc21)C1CC1 ZINC000070512728 175961035 /nfs/dbraw/zinc/96/10/35/175961035.db2.gz VZFIKZCFORUSHX-KRWDZBQOSA-N 1 0 274.408 2.190 10 0 CEAERO CC(C)[NH2+]C[C@H](C)Cn1cnc2ccsc2c1=O ZINC000070527155 175971452 /nfs/dbraw/zinc/97/14/52/175971452.db2.gz CBJBDMXPZPVEDO-JTQLQIEISA-N 1 0 265.382 2.092 10 0 CEAERO Cc1cc2c(c(C)c1)N(C[C@H](C)C[NH2+]C(C)C)C(=O)C2=O ZINC000070527395 175971508 /nfs/dbraw/zinc/97/15/08/175971508.db2.gz KJLCPROHDYAUAP-GFCCVEGCSA-N 1 0 288.391 2.467 10 0 CEAERO COC(=O)c1cc(C)ccc1NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000070574630 175989988 /nfs/dbraw/zinc/98/99/88/175989988.db2.gz XOEXIRLWIJOIKO-RYUDHWBXSA-N 1 0 290.363 2.238 10 0 CEAERO [NH3+][C@@H]1CCC[C@H](C(=O)Nc2cccc(-c3nnco3)c2)C1 ZINC000070577491 175992863 /nfs/dbraw/zinc/99/28/63/175992863.db2.gz VTWOJOVPSKHOIM-CMPLNLGQSA-N 1 0 286.335 2.193 10 0 CEAERO [NH3+]C[C@@H]1CCO[C@@H]1c1ccc(Br)cc1 ZINC000070674086 176000593 /nfs/dbraw/zinc/00/05/93/176000593.db2.gz CUYDADFBOQGJQN-GXSJLCMTSA-N 1 0 256.143 2.485 10 0 CEAERO [NH3+]C1(COc2ncccc2Br)CCCC1 ZINC000070876153 176009584 /nfs/dbraw/zinc/00/95/84/176009584.db2.gz IDMUKCZXJZSUJU-UHFFFAOYSA-N 1 0 271.158 2.494 10 0 CEAERO C[C@@H]([NH3+])c1csc(NC(=O)CC(F)(F)F)n1 ZINC000070884908 176010190 /nfs/dbraw/zinc/01/01/90/176010190.db2.gz RORVMDYRHFJYFM-SCSAIBSYSA-N 1 0 253.249 2.054 10 0 CEAERO c1csc(CCNC2=[NH+]C[C@H](C3CC3)S2)n1 ZINC000070889316 176010235 /nfs/dbraw/zinc/01/02/35/176010235.db2.gz URKZNQAUGYZQMR-SECBINFHSA-N 1 0 253.396 2.157 10 0 CEAERO CC[NH2+][C@@H]1CCN(c2ccc(C)c(Br)c2)C1=O ZINC000070940852 176014686 /nfs/dbraw/zinc/01/46/86/176014686.db2.gz RHOKPFFGKXZHPG-GFCCVEGCSA-N 1 0 297.196 2.472 10 0 CEAERO [NH3+][C@H]1CCC(=O)N(C2CC2)[C@@H]1c1cccc2cccnc21 ZINC000070987257 176018694 /nfs/dbraw/zinc/01/86/94/176018694.db2.gz JJFGVQYEHPKUJC-WMLDXEAASA-N 1 0 281.359 2.388 10 0 CEAERO [NH3+][C@H]1CCC(=O)N(C2CC2)[C@@H]1c1ccc2ncccc2c1 ZINC000070987267 176018739 /nfs/dbraw/zinc/01/87/39/176018739.db2.gz XBYYVNCGAAUONO-WMLDXEAASA-N 1 0 281.359 2.388 10 0 CEAERO [NH3+]C[C@@H](c1ccccc1)n1cc(C(F)(F)F)cn1 ZINC000070989816 176019187 /nfs/dbraw/zinc/01/91/87/176019187.db2.gz AMHBRDXBUBKHBJ-NSHDSACASA-N 1 0 255.243 2.450 10 0 CEAERO C[C@@H](Cc1ccccc1)N1CCC[C@@H]([NH2+]C2CC2)C1=O ZINC000071031361 176022674 /nfs/dbraw/zinc/02/26/74/176022674.db2.gz SRMZUWLFRWLRNP-XJKSGUPXSA-N 1 0 272.392 2.361 10 0 CEAERO C[NH2+][C@@H]1CCCN([C@H](C)c2ccccc2F)C1=O ZINC000071031910 176022852 /nfs/dbraw/zinc/02/28/52/176022852.db2.gz FAMDMVXJNLQRSQ-ZWNOBZJWSA-N 1 0 250.317 2.097 10 0 CEAERO CCc1nc(N2CC[C@@H]([NH2+]C(C)C)C2=O)sc1C ZINC000071032252 176023566 /nfs/dbraw/zinc/02/35/66/176023566.db2.gz YPRKWEAYMZZLIV-LLVKDONJSA-N 1 0 267.398 2.117 10 0 CEAERO CC[NH2+][C@@H]1CCCN([C@@H](C)c2ccc(C)o2)C1=O ZINC000071033744 176024417 /nfs/dbraw/zinc/02/44/17/176024417.db2.gz BWXZZRKSAADGPR-NWDGAFQWSA-N 1 0 250.342 2.250 10 0 CEAERO CC(C)[NH2+][C@H]1CCN(c2nc(C(C)C)cs2)C1=O ZINC000071033780 176024459 /nfs/dbraw/zinc/02/44/59/176024459.db2.gz SXTUNHDBCDODAF-JTQLQIEISA-N 1 0 267.398 2.370 10 0 CEAERO CCC[NH2+][C@@H]1CCCN(c2nc(C)c(C)s2)C1=O ZINC000071037168 176026084 /nfs/dbraw/zinc/02/60/84/176026084.db2.gz TXGJMNVTRQEBDR-LLVKDONJSA-N 1 0 267.398 2.255 10 0 CEAERO CCC[NH2+][C@@H]1CCCN([C@@H](C)c2ccco2)C1=O ZINC000071040104 176027389 /nfs/dbraw/zinc/02/73/89/176027389.db2.gz ADWCRXHDJQYEHS-NWDGAFQWSA-N 1 0 250.342 2.331 10 0 CEAERO CC[NH2+][C@H]1CCCN([C@@H]2CCc3ccccc3C2)C1=O ZINC000071041956 176027860 /nfs/dbraw/zinc/02/78/60/176027860.db2.gz BPSBTJVTMSDPLO-CVEARBPZSA-N 1 0 272.392 2.144 10 0 CEAERO CC[NH2+][C@@H]1CCCN([C@@H]2CCc3ccccc3C2)C1=O ZINC000071041954 176027990 /nfs/dbraw/zinc/02/79/90/176027990.db2.gz BPSBTJVTMSDPLO-HZPDHXFCSA-N 1 0 272.392 2.144 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN([C@H]2CCc3ccccc3C2)C1=O ZINC000071041926 176028143 /nfs/dbraw/zinc/02/81/43/176028143.db2.gz GBYBLUOXTMDPRJ-JKSUJKDBSA-N 1 0 272.392 2.143 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCN1Cc1ccc(F)c(Cl)c1 ZINC000071042368 176028576 /nfs/dbraw/zinc/02/85/76/176028576.db2.gz GWFSZZYAKYHXND-CYBMUJFWSA-N 1 0 282.746 2.332 10 0 CEAERO CC[NH2+][C@@H]1CCCN(c2cc(F)c(F)cc2F)C1=O ZINC000071042653 176028825 /nfs/dbraw/zinc/02/88/25/176028825.db2.gz WMQHAQQYGQYLHU-LLVKDONJSA-N 1 0 272.270 2.209 10 0 CEAERO CC(C)C[NH2+]CCN(C)C[C@@H]1OCCc2ccccc21 ZINC000071091636 176031785 /nfs/dbraw/zinc/03/17/85/176031785.db2.gz LOSZGJJMDLUOGP-KRWDZBQOSA-N 1 0 276.424 2.478 10 0 CEAERO CCC[N@@H+](CC(N)=S)C[C@@H]1OCCc2ccccc21 ZINC000071091338 176032294 /nfs/dbraw/zinc/03/22/94/176032294.db2.gz VLJLDMQQFRZCRE-AWEZNQCLSA-N 1 0 278.421 2.299 10 0 CEAERO CC[C@@H]([NH3+])Cc1nccn1C[C@@H]1OCCc2ccccc21 ZINC000071099255 176033030 /nfs/dbraw/zinc/03/30/30/176033030.db2.gz NZCCPYRFEIPDRD-ZBFHGGJFSA-N 1 0 285.391 2.477 10 0 CEAERO CC[C@@H]1CCC[C@@](C[NH3+])(N2CCOC[C@@H]2CC)C1 ZINC000071123465 176035245 /nfs/dbraw/zinc/03/52/45/176035245.db2.gz ZMGURZJVKIOKHI-QLFBSQMISA-N 1 0 254.418 2.395 10 0 CEAERO CCC[NH2+][C@@H](CC)c1ccc2c(c1)C(=O)N(C)C(=O)C2 ZINC000071139509 176037860 /nfs/dbraw/zinc/03/78/60/176037860.db2.gz ZKZKPZKKRDNWQO-AWEZNQCLSA-N 1 0 274.364 2.292 10 0 CEAERO C[C@H]1CCC[C@@H]([N@H+](CC(N)=O)Cc2cccc(N)c2)C1 ZINC000071150526 176045065 /nfs/dbraw/zinc/04/50/65/176045065.db2.gz LNCJUSDLAQFNAT-SWLSCSKDSA-N 1 0 275.396 2.135 10 0 CEAERO CC[C@H]1CCCC[C@@]1(C[NH3+])N(C)Cc1cnn(C)c1 ZINC000071161851 176046149 /nfs/dbraw/zinc/04/61/49/176046149.db2.gz VMKXXHDUVCEEBP-GJZGRUSLSA-N 1 0 264.417 2.150 10 0 CEAERO CC[C@@H]1CCCC[C@@]1(CN)[N@H+](CCOC)C1CC1 ZINC000071161892 176046267 /nfs/dbraw/zinc/04/62/67/176046267.db2.gz WCSGAWSWYLCRJB-HIFRSBDPSA-N 1 0 254.418 2.395 10 0 CEAERO CC[C@@H]1CCCC[C@@]1(CN)[NH+]1CCC(OC)CC1 ZINC000071161612 176046572 /nfs/dbraw/zinc/04/65/72/176046572.db2.gz QARDMHJSRKAIKG-HIFRSBDPSA-N 1 0 254.418 2.395 10 0 CEAERO [NH3+]C[C@@H](Oc1cc(F)ccc1F)c1cccnc1 ZINC000071167302 176049380 /nfs/dbraw/zinc/04/93/80/176049380.db2.gz CEPIZYDJAPJLQX-CYBMUJFWSA-N 1 0 250.248 2.439 10 0 CEAERO COCCC[NH2+]C[C@H](C)Oc1cc(F)ccc1F ZINC000071168902 176049825 /nfs/dbraw/zinc/04/98/25/176049825.db2.gz HYCXKTIDFKCUDC-JTQLQIEISA-N 1 0 259.296 2.358 10 0 CEAERO Cn1ccnc1CC[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000071170292 176050736 /nfs/dbraw/zinc/05/07/36/176050736.db2.gz SMJRQZZFPHSBIV-UHFFFAOYSA-N 1 0 285.391 2.466 10 0 CEAERO CCCOc1cncc(N[C@H](C[NH3+])Cc2ccccc2)n1 ZINC000071177443 176055179 /nfs/dbraw/zinc/05/51/79/176055179.db2.gz ZGCUPEFCCMVQQY-AWEZNQCLSA-N 1 0 286.379 2.247 10 0 CEAERO CC(C)Oc1cncc(NC2(C[NH3+])CCCCC2)n1 ZINC000071177473 176055337 /nfs/dbraw/zinc/05/53/37/176055337.db2.gz IVOFJMFSGCYPFE-UHFFFAOYSA-N 1 0 264.373 2.337 10 0 CEAERO [NH3+]Cc1cnc(N2CCC[C@H]2c2ccccc2)cn1 ZINC000071177818 176055532 /nfs/dbraw/zinc/05/55/32/176055532.db2.gz WKWJALWMPUVZDK-AWEZNQCLSA-N 1 0 254.337 2.277 10 0 CEAERO CC(C)N(Cc1ccccc1)c1cnc(C[NH3+])cn1 ZINC000071177749 176055634 /nfs/dbraw/zinc/05/56/34/176055634.db2.gz DRLHNBZUNBRSLC-UHFFFAOYSA-N 1 0 256.353 2.350 10 0 CEAERO CN(CCCc1ccccc1)c1cnc(C[NH3+])cn1 ZINC000071177834 176055778 /nfs/dbraw/zinc/05/57/78/176055778.db2.gz BCAHZMHZLJPGOA-UHFFFAOYSA-N 1 0 256.353 2.004 10 0 CEAERO NC(=[NH2+])c1cnc(Sc2ccc(F)c(F)c2)cn1 ZINC000071180553 176056365 /nfs/dbraw/zinc/05/63/65/176056365.db2.gz KTXYPFIJOLVUQW-UHFFFAOYSA-N 1 0 266.276 2.190 10 0 CEAERO COc1ccc(C(=O)[C@H](C)N(C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071189941 176065504 /nfs/dbraw/zinc/06/55/04/176065504.db2.gz QOYRVFRFKSGUAK-UONOGXRCSA-N 1 0 290.407 2.150 10 0 CEAERO COc1ccc(CN2CCC[C@@H]([NH2+]C3CC3)C2)cc1 ZINC000071197920 176076760 /nfs/dbraw/zinc/07/67/60/176076760.db2.gz NDJJGMBPALARAT-OAHLLOKOSA-N 1 0 260.381 2.412 10 0 CEAERO C[NH2+][C@@H]1CCCN(CCCN(C)c2ccccc2)C1 ZINC000071198464 176077145 /nfs/dbraw/zinc/07/71/45/176077145.db2.gz IRXFWEOEKAHZOW-OAHLLOKOSA-N 1 0 261.413 2.197 10 0 CEAERO CC[NH2+][C@H]1CCCN(CCc2ccc(F)cc2)C1 ZINC000071198341 176077319 /nfs/dbraw/zinc/07/73/19/176077319.db2.gz KNIHYUVIRSHNKM-HNNXBMFYSA-N 1 0 250.361 2.442 10 0 CEAERO Cc1csc(CN2CCC[C@H]([NH2+]C3CC3)C2)n1 ZINC000071200860 176077639 /nfs/dbraw/zinc/07/76/39/176077639.db2.gz JXQJMQUZTPAGNI-LBPRGKRZSA-N 1 0 251.399 2.168 10 0 CEAERO CCCC1(C(=O)N[C@@H]2CCC[C@H]2C)CC[NH2+]CC1 ZINC000071209043 176081828 /nfs/dbraw/zinc/08/18/28/176081828.db2.gz NHYMCWMDVRRHKM-CHWSQXEVSA-N 1 0 252.402 2.461 10 0 CEAERO CCCC[N@H+](CCO)Cc1ccc(F)cc1C(N)=S ZINC000071265989 176099240 /nfs/dbraw/zinc/09/92/40/176099240.db2.gz PGSNWLCJRIJVSF-UHFFFAOYSA-N 1 0 284.400 2.054 10 0 CEAERO NC(=[NH2+])c1cc(F)ccc1Cn1cc(Cl)cn1 ZINC000071268076 176101453 /nfs/dbraw/zinc/10/14/53/176101453.db2.gz DQABFNKTQOCEQS-UHFFFAOYSA-N 1 0 252.680 2.008 10 0 CEAERO CCN(C(=O)c1cc(Cl)cn1C1CC1)[C@@H]1CC[NH2+]C1 ZINC000071312539 176119403 /nfs/dbraw/zinc/11/94/03/176119403.db2.gz OMDUDEDEVGWTCT-GFCCVEGCSA-N 1 0 281.787 2.300 10 0 CEAERO CCN(Cc1nnc(-c2ccc(F)cc2)o1)[C@@H]1CC[NH2+]C1 ZINC000071313220 176119659 /nfs/dbraw/zinc/11/96/59/176119659.db2.gz LWKDSTNVMODAPM-CYBMUJFWSA-N 1 0 290.342 2.060 10 0 CEAERO CCN(CCOc1cc(C)ccc1C)[C@H]1CC[NH2+]C1 ZINC000071313925 176120331 /nfs/dbraw/zinc/12/03/31/176120331.db2.gz ANHCPVMIXQQYKN-HNNXBMFYSA-N 1 0 262.397 2.366 10 0 CEAERO CCN(Cc1nnc(-c2ccc(C)cc2)o1)[C@@H]1CC[NH2+]C1 ZINC000071313984 176120680 /nfs/dbraw/zinc/12/06/80/176120680.db2.gz YQRMEAAYNIORMI-CQSZACIVSA-N 1 0 286.379 2.229 10 0 CEAERO CCN(c1ncccc1C(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000071314314 176121023 /nfs/dbraw/zinc/12/10/23/176121023.db2.gz OIGDCSZMLGZMSI-SECBINFHSA-N 1 0 259.275 2.289 10 0 CEAERO C[C@@H](Cc1ccco1)[NH2+]C1CN(C(=O)OC(C)(C)C)C1 ZINC000071335614 176126861 /nfs/dbraw/zinc/12/68/61/176126861.db2.gz RECVLTOMKUPDKN-NSHDSACASA-N 1 0 280.368 2.420 10 0 CEAERO Cc1ccc(C(=O)NC[C@H]2[NH2+]CCC[C@H]2C)c(C)c1 ZINC000071338528 176128708 /nfs/dbraw/zinc/12/87/08/176128708.db2.gz DKEADNGJAGGWAD-IUODEOHRSA-N 1 0 260.381 2.421 10 0 CEAERO CCOc1ccc(C(=O)NC[C@@H]2[NH2+]CCC[C@H]2C)cc1 ZINC000071338581 176128936 /nfs/dbraw/zinc/12/89/36/176128936.db2.gz WPWKTMMVSVZWGK-DOMZBBRYSA-N 1 0 276.380 2.203 10 0 CEAERO COc1ccccc1NC(=O)NC[C@H]1[NH2+]CCC[C@@H]1C ZINC000071338955 176129542 /nfs/dbraw/zinc/12/95/42/176129542.db2.gz PWXXCJNPLPFNNY-WCQYABFASA-N 1 0 277.368 2.205 10 0 CEAERO Cc1nccn1CC[N@@H+]1CC(C)(C)NCC12CCCC2 ZINC000071343244 176130788 /nfs/dbraw/zinc/13/07/88/176130788.db2.gz HSVWXNAXLHPUGL-UHFFFAOYSA-N 1 0 276.428 2.188 10 0 CEAERO CC[C@@H]1CN(CCn2ccnc2C)C2(CCCC2)C[NH2+]1 ZINC000071345276 176131486 /nfs/dbraw/zinc/13/14/86/176131486.db2.gz LAAVMDAWXGFTQD-OAHLLOKOSA-N 1 0 276.428 2.188 10 0 CEAERO CC(C)(C)[C@@H]1CN(CCn2cccn2)[C@](C)(C2CC2)C[NH2+]1 ZINC000071349277 176132615 /nfs/dbraw/zinc/13/26/15/176132615.db2.gz CNTQDHDBNCGSHO-RDJZCZTQSA-N 1 0 290.455 2.372 10 0 CEAERO CC[C@]1(C)C[NH2+][C@@H](C(C)(C)C)CN1CCOCCOC ZINC000071348584 176133079 /nfs/dbraw/zinc/13/30/79/176133079.db2.gz VBMGRSUGVPGEKM-GDBMZVCRSA-N 1 0 286.460 2.138 10 0 CEAERO CC[C@H]1CN[C@@H](Cc2ccccc2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000071352823 176135784 /nfs/dbraw/zinc/13/57/84/176135784.db2.gz ZTCASCPKRKSFDF-BZSNNMDCSA-N 1 0 288.435 2.318 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(Cc2cnn(C)c2)[C@H](C2CC2)C[NH2+]1 ZINC000071355396 176136856 /nfs/dbraw/zinc/13/68/56/176136856.db2.gz HOYUTHVPPQSTKZ-KCXAZCMYSA-N 1 0 276.428 2.019 10 0 CEAERO CC[C@@H](C)[C@H]1CN(CCCn2ccnc2)C(C)(C)C[NH2+]1 ZINC000071355678 176137022 /nfs/dbraw/zinc/13/70/22/176137022.db2.gz KOEMUBYPJHSCBN-HUUCEWRRSA-N 1 0 278.444 2.372 10 0 CEAERO CC[C@H]1C[NH2+]C2(CCCCC2)CN1CCOCCOC ZINC000071359436 176137351 /nfs/dbraw/zinc/13/73/51/176137351.db2.gz PMIWORVEIDEWJN-HNNXBMFYSA-N 1 0 284.444 2.036 10 0 CEAERO Cc1nccn1CCN1CC2(CCCC2)[NH2+]CC1(C)C ZINC000071358954 176137738 /nfs/dbraw/zinc/13/77/38/176137738.db2.gz KOCSFQQPWBHYEO-UHFFFAOYSA-N 1 0 276.428 2.188 10 0 CEAERO CCn1cc(CN2CC3(CCCC3)[NH2+]C[C@@H]2C2CC2)cn1 ZINC000071358708 176138030 /nfs/dbraw/zinc/13/80/30/176138030.db2.gz LCAPJXBXOWLVLX-MRXNPFEDSA-N 1 0 288.439 2.400 10 0 CEAERO Cn1c(C[NH3+])nnc1SCc1ccccc1Cl ZINC000071373650 176139275 /nfs/dbraw/zinc/13/92/75/176139275.db2.gz XUQFRLSPDGNFBI-UHFFFAOYSA-N 1 0 268.773 2.220 10 0 CEAERO C[N@H+](CCNc1ccc(C(N)=S)cn1)C1CCCC1 ZINC000071379269 176143320 /nfs/dbraw/zinc/14/33/20/176143320.db2.gz APCWNMYPIZMLOQ-UHFFFAOYSA-N 1 0 278.425 2.002 10 0 CEAERO CCNc1ccc(C(=O)NCC[N@H+](C)C2CCCC2)cn1 ZINC000071379997 176144078 /nfs/dbraw/zinc/14/40/78/176144078.db2.gz IOAFDZRFXPUJJK-UHFFFAOYSA-N 1 0 290.411 2.118 10 0 CEAERO CCOC(=O)[C@@](C)(NCC[NH+](C)C)C1CCCCC1 ZINC000071399865 176152224 /nfs/dbraw/zinc/15/22/24/176152224.db2.gz DTJMXDFNIJAFKS-HNNXBMFYSA-N 1 0 270.417 2.040 10 0 CEAERO C=COCCCNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000071401068 176153604 /nfs/dbraw/zinc/15/36/04/176153604.db2.gz QNBQCAZOFVYVCX-CQSZACIVSA-N 1 0 262.353 2.133 10 0 CEAERO CCC(CC)(CO)NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000071401427 176154055 /nfs/dbraw/zinc/15/40/55/176154055.db2.gz PCGYMRIZNJPVKS-AWEZNQCLSA-N 1 0 278.396 2.134 10 0 CEAERO [NH3+][C@@H](CCC(=O)NC1(CO)CCCCC1)c1ccccc1 ZINC000071401430 176154068 /nfs/dbraw/zinc/15/40/68/176154068.db2.gz MPCXBVYBHNITFK-HNNXBMFYSA-N 1 0 290.407 2.278 10 0 CEAERO Cc1ccc(OCC(=O)NCCC(C)C)c(C[C@H](C)[NH3+])c1 ZINC000071411746 176157235 /nfs/dbraw/zinc/15/72/35/176157235.db2.gz BLXKYVGXIUSQEJ-AWEZNQCLSA-N 1 0 292.423 2.426 10 0 CEAERO Cc1nccn1CCOc1ccc(C)cc1C[C@@H](C)[NH3+] ZINC000071411843 176157613 /nfs/dbraw/zinc/15/76/13/176157613.db2.gz CBKRCFHFPILBKP-CYBMUJFWSA-N 1 0 273.380 2.469 10 0 CEAERO Cc1ccc(OCCn2ccnc2)c(C[C@H](C)[NH3+])c1 ZINC000071411878 176157642 /nfs/dbraw/zinc/15/76/42/176157642.db2.gz HZJUJFDEDUOFBV-ZDUSSCGKSA-N 1 0 259.353 2.160 10 0 CEAERO CN1C[C@@H](CC[NH3+])c2cccc(Br)c21 ZINC000071484036 176189134 /nfs/dbraw/zinc/18/91/34/176189134.db2.gz PBVPYAVZYCUFTD-MRVPVSSYSA-N 1 0 255.159 2.331 10 0 CEAERO COc1ccc([C@H](O)C[NH2+]C(C)C)c(OC)c1C ZINC000071574803 176201906 /nfs/dbraw/zinc/20/19/06/176201906.db2.gz TUYZWVLXXKFDHA-GFCCVEGCSA-N 1 0 253.342 2.044 10 0 CEAERO CN1CC[NH2+][C@H](c2cccc(Br)c2)C1 ZINC000071576406 176204319 /nfs/dbraw/zinc/20/43/19/176204319.db2.gz IYXDKHZGHYEHEJ-NSHDSACASA-N 1 0 255.159 2.025 10 0 CEAERO CC(C)[NH2+]CCS(=O)(=O)c1cccc(Cl)c1 ZINC000071588262 176216037 /nfs/dbraw/zinc/21/60/37/176216037.db2.gz PHHBRJKOGQXPAN-UHFFFAOYSA-N 1 0 261.774 2.112 10 0 CEAERO CCOc1ccc(CCCN2CC[NH2+]CC2)cc1C ZINC000071594767 176217786 /nfs/dbraw/zinc/21/77/86/176217786.db2.gz BXGONWHLFPATGQ-UHFFFAOYSA-N 1 0 262.397 2.232 10 0 CEAERO C[C@@H]([NH3+])CS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000071599564 176224750 /nfs/dbraw/zinc/22/47/50/176224750.db2.gz MAROIOFPEJNAES-ZCFIWIBFSA-N 1 0 268.165 2.114 10 0 CEAERO Nc1nccc([C@@H]2CCC[N@@H+]2CCc2ccccc2)n1 ZINC000072363749 176378385 /nfs/dbraw/zinc/37/83/85/176378385.db2.gz WYJPSJHXFXQPFN-HNNXBMFYSA-N 1 0 268.364 2.438 10 0 CEAERO Clc1cncnc1N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656609030 415785269 /nfs/dbraw/zinc/78/52/69/415785269.db2.gz JPYVKTDKFRCKGV-GFCCVEGCSA-N 1 0 280.803 2.346 10 0 CEAERO Cc1cc(C)nc(N2CCC([C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000656609124 415785531 /nfs/dbraw/zinc/78/55/31/415785531.db2.gz PHULPRFEXLIBMJ-OAHLLOKOSA-N 1 0 274.412 2.309 10 0 CEAERO Cc1cnc(C)c(N2CCC([C@H]3CCC[NH2+]C3)CC2)n1 ZINC000656608478 415785579 /nfs/dbraw/zinc/78/55/79/415785579.db2.gz KJSQZPBWHQANSS-HNNXBMFYSA-N 1 0 274.412 2.309 10 0 CEAERO Clc1cnc(N2CCC([C@@H]3CCC[NH2+]C3)CC2)nc1 ZINC000656609912 415785591 /nfs/dbraw/zinc/78/55/91/415785591.db2.gz ZQFDDWUPXCCMNX-GFCCVEGCSA-N 1 0 280.803 2.346 10 0 CEAERO Cc1cc(Br)cnc1N1CC2CC1(C[NH3+])C2 ZINC000656611152 415787088 /nfs/dbraw/zinc/78/70/88/415787088.db2.gz XQDKWOQBTCIZFD-UHFFFAOYSA-N 1 0 282.185 2.080 10 0 CEAERO CC[C@H]([NH2+]C)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000662368122 415807206 /nfs/dbraw/zinc/80/72/06/415807206.db2.gz KRBPMSKHMORKSC-BBBLOLIVSA-N 1 0 266.307 2.222 10 0 CEAERO Cc1cc2nc(Cl)nc(N[C@@H]3CCC[NH2+]C3)c2[nH]1 ZINC000073735697 176489365 /nfs/dbraw/zinc/48/93/65/176489365.db2.gz GBEGCOPJCVCUBA-MRVPVSSYSA-N 1 0 265.748 2.084 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)C1CCC2(CC2)CC1 ZINC000662559567 415886067 /nfs/dbraw/zinc/88/60/67/415886067.db2.gz AWKULGOUCCJSEX-DGCLKSJQSA-N 1 0 250.386 2.214 10 0 CEAERO [NH3+][C@H]1CC[C@H](C(=O)N2CCC(C3CCC3)CC2)C1 ZINC000662632176 415912917 /nfs/dbraw/zinc/91/29/17/415912917.db2.gz NSCZANCQQDMFES-KBPBESRZSA-N 1 0 250.386 2.153 10 0 CEAERO C[C@H]1CN(C(=O)CCc2cccs2)C[C@H](C)[NH+]1C ZINC000074556862 176586815 /nfs/dbraw/zinc/58/68/15/176586815.db2.gz AZBUYUXEASRYHR-RYUDHWBXSA-N 1 0 266.410 2.232 10 0 CEAERO Cc1cc[n+](CCC(=O)N2[C@H](C)CCC[C@@H]2C)cc1 ZINC000075304428 176685922 /nfs/dbraw/zinc/68/59/22/176685922.db2.gz ZLOBCLSDEZTNLJ-GASCZTMLSA-N 1 0 261.389 2.462 10 0 CEAERO O=C(CCCC[n+]1ccccc1)Nc1ccc(F)cn1 ZINC000075305804 176686397 /nfs/dbraw/zinc/68/63/97/176686397.db2.gz VOCZNOJPGAEUHA-UHFFFAOYSA-O 1 0 274.319 2.317 10 0 CEAERO O=C(CC[C@H]1CCC[NH2+]1)N1CCC[C@H](CCF)C1 ZINC000662687264 415931069 /nfs/dbraw/zinc/93/10/69/415931069.db2.gz FZCYSAMTUKJQPI-CHWSQXEVSA-N 1 0 256.365 2.117 10 0 CEAERO CCCCc1ccc(CN2C[C@@H](C[NH3+])CC2=O)cc1 ZINC000076326451 176989842 /nfs/dbraw/zinc/98/98/42/176989842.db2.gz KIMUTKBRVKHZOQ-OAHLLOKOSA-N 1 0 260.381 2.336 10 0 CEAERO CCOc1cc(C)c([C@H](C)NC(=O)C[NH2+]C)cc1C ZINC000076368865 177006002 /nfs/dbraw/zinc/00/60/02/177006002.db2.gz YMXCCOTVQKVWDH-LBPRGKRZSA-N 1 0 264.369 2.099 10 0 CEAERO CCOc1ccc(N(CC(C)C)C(=O)C[NH3+])cc1 ZINC000076654907 177045182 /nfs/dbraw/zinc/04/51/82/177045182.db2.gz ZTCVRYQIBFRKMN-UHFFFAOYSA-N 1 0 250.342 2.033 10 0 CEAERO [NH3+]CC[C@H](C(=O)NCc1ccco1)C1CCCCC1 ZINC000076679935 177057957 /nfs/dbraw/zinc/05/79/57/177057957.db2.gz UBLBNLFPULXWKO-AWEZNQCLSA-N 1 0 264.369 2.441 10 0 CEAERO CC(C)C[C@@H](C[NH3+])CC(=O)Nc1ccc2c(c1)OCO2 ZINC000076753219 177085778 /nfs/dbraw/zinc/08/57/78/177085778.db2.gz OQPYZYLZUHYIJZ-LLVKDONJSA-N 1 0 278.352 2.365 10 0 CEAERO Cc1cc(C(=O)COC2CC[NH2+]CC2)ccc1F ZINC000077252394 177240299 /nfs/dbraw/zinc/24/02/99/177240299.db2.gz UKEHGERYJVJKHF-UHFFFAOYSA-N 1 0 251.301 2.085 10 0 CEAERO C[C@@H]1COC[C@H](C)[N@H+]1CCC(=O)N1CCc2ccccc21 ZINC000077366348 177258003 /nfs/dbraw/zinc/25/80/03/177258003.db2.gz XTDJEIKDZAGNDW-OKILXGFUSA-N 1 0 288.391 2.075 10 0 CEAERO CSCCCCNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000077570052 177281563 /nfs/dbraw/zinc/28/15/63/177281563.db2.gz OBKPELOADSGKEX-CYBMUJFWSA-N 1 0 289.489 2.405 10 0 CEAERO C[C@H](CC[NH+](C)C)Nc1nnc(Br)s1 ZINC000077898686 177308586 /nfs/dbraw/zinc/30/85/86/177308586.db2.gz IAXHEUVXGDTMGB-ZCFIWIBFSA-N 1 0 279.207 2.053 10 0 CEAERO CC[N@H+](CC(=O)Nc1ccccc1SC)CC(C)(C)O ZINC000078748524 177381849 /nfs/dbraw/zinc/38/18/49/177381849.db2.gz DRHZKZBBMNURKI-UHFFFAOYSA-N 1 0 296.436 2.440 10 0 CEAERO C[C@@H](CC[NH3+])CCC(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000079117297 177435796 /nfs/dbraw/zinc/43/57/96/177435796.db2.gz AHJJMDMMGXREOB-LLVKDONJSA-N 1 0 289.379 2.275 10 0 CEAERO CC(=O)Nc1ccc(F)c(NC(=O)CC[C@@H](C)CC[NH3+])c1 ZINC000079117367 177436014 /nfs/dbraw/zinc/43/60/14/177436014.db2.gz AVBHUZWKEXPAET-SNVBAGLBSA-N 1 0 295.358 2.488 10 0 CEAERO CC[C@H]1CCC(=O)N(C[C@@H](C)C[NH2+]C2CC2)CC1 ZINC000079226048 177450477 /nfs/dbraw/zinc/45/04/77/177450477.db2.gz AHBNGBLLTTZUTI-STQMWFEESA-N 1 0 252.402 2.413 10 0 CEAERO CC[C@H]1CN(C(=O)CC[C@@H](CC[NH3+])C(C)C)CCO1 ZINC000079255264 177459416 /nfs/dbraw/zinc/45/94/16/177459416.db2.gz HQYDLSIGMPWSOL-KBPBESRZSA-N 1 0 270.417 2.025 10 0 CEAERO CO[C@H]1CCC[C@@H]1NC(=O)CC[C@@H](CC[NH3+])C(C)C ZINC000079278379 177461886 /nfs/dbraw/zinc/46/18/86/177461886.db2.gz GSUVLGAPFHRLPK-IHRRRGAJSA-N 1 0 270.417 2.071 10 0 CEAERO CCC[C@H](NC(=O)Nc1ccc(F)cc1)C(N)=[NH2+] ZINC000079779805 177557734 /nfs/dbraw/zinc/55/77/34/177557734.db2.gz YDYCMSFEBOGQJP-JTQLQIEISA-N 1 0 252.293 2.052 10 0 CEAERO Cc1ccc(NC(=O)N2CCC(C(N)=[NH2+])CC2)cc1 ZINC000079843315 177569237 /nfs/dbraw/zinc/56/92/37/177569237.db2.gz AKERFJDDYRIIEK-UHFFFAOYSA-N 1 0 260.341 2.175 10 0 CEAERO Cc1nn([C@@H]2CCOC2)c(C)c1CC[NH2+]C(C)(C)C ZINC000080064767 177604064 /nfs/dbraw/zinc/60/40/64/177604064.db2.gz PEJQTBBLMCTBIN-CYBMUJFWSA-N 1 0 265.401 2.392 10 0 CEAERO CC(=O)Nc1ccc(C)c(NC(=O)C[C@H]([NH3+])C(C)C)c1 ZINC000136320950 419442863 /nfs/dbraw/zinc/44/28/63/419442863.db2.gz PVQOEBWUPVABPZ-ZDUSSCGKSA-N 1 0 277.368 2.265 10 0 CEAERO COCc1ccccc1NC(=O)C[C@@H]([NH3+])C(C)C ZINC000136326895 419442979 /nfs/dbraw/zinc/44/29/79/419442979.db2.gz GWRYJWODRKKDBP-GFCCVEGCSA-N 1 0 250.342 2.145 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)NCc1cccc(Cl)c1 ZINC000136311675 419443689 /nfs/dbraw/zinc/44/36/89/419443689.db2.gz QZLQMJKMHTYNMP-GFCCVEGCSA-N 1 0 254.761 2.330 10 0 CEAERO COc1cc(NC(=O)C[C@H]([NH3+])C(C)C)cc(OC)c1OC ZINC000136294364 419444467 /nfs/dbraw/zinc/44/44/67/419444467.db2.gz ABZQOJFGDDLOKE-NSHDSACASA-N 1 0 296.367 2.024 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000136293271 419444719 /nfs/dbraw/zinc/44/47/19/419444719.db2.gz SAUMQKSZHFMACG-IXUJDMMCSA-N 1 0 264.413 2.445 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)NCc1ccc(Br)cc1 ZINC000136304380 419445457 /nfs/dbraw/zinc/44/54/57/419445457.db2.gz SCCFZHVGIUCXEM-GFCCVEGCSA-N 1 0 299.212 2.439 10 0 CEAERO Cc1nc(-c2cccc(NC(=O)C[C@H]([NH3+])C(C)C)c2)n[nH]1 ZINC000136371054 419446012 /nfs/dbraw/zinc/44/60/12/419446012.db2.gz HVYHGFQPUMOQOR-ZDUSSCGKSA-N 1 0 287.367 2.092 10 0 CEAERO COC[C@H](C)C[NH2+]C(C)(C)CNC(=O)OC(C)(C)C ZINC000188463067 262298106 /nfs/dbraw/zinc/29/81/06/262298106.db2.gz BPKQQDSXZUOLND-LLVKDONJSA-N 1 0 274.405 2.162 10 0 CEAERO CCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000035018760 270224655 /nfs/dbraw/zinc/22/46/55/270224655.db2.gz HVLUWUKJBFDBBJ-NWDGAFQWSA-N 1 0 292.379 2.023 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)/C=C/c2ccc(O)cc2)C1 ZINC000184157379 270241837 /nfs/dbraw/zinc/24/18/37/270241837.db2.gz CWNPWDNHWXIGRE-RNVIBTMRSA-N 1 0 274.364 2.006 10 0 CEAERO CC/C=C/CC[NH+]1CCN(c2nccc(OCC)n2)CC1 ZINC000184525707 270243371 /nfs/dbraw/zinc/24/33/71/270243371.db2.gz OOMCMBKNAIZAKG-AATRIKPKSA-N 1 0 290.411 2.354 10 0 CEAERO CC[C@@H]([NH2+]CCO)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000188648277 270257422 /nfs/dbraw/zinc/25/74/22/270257422.db2.gz ZVCPBNYBWWUBIF-CHWSQXEVSA-N 1 0 286.416 2.137 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccccc2N(C)C)C1 ZINC000194333808 270296478 /nfs/dbraw/zinc/29/64/78/270296478.db2.gz SYQMMOLTVXHRRE-ZDUSSCGKSA-N 1 0 290.411 2.358 10 0 CEAERO Cc1nnsc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000311544302 270333183 /nfs/dbraw/zinc/33/31/83/270333183.db2.gz OCJBJGSPJOFZPF-YNEHKIRRSA-N 1 0 281.425 2.362 10 0 CEAERO Cc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)c(Cl)c1 ZINC000392928464 270341551 /nfs/dbraw/zinc/34/15/51/270341551.db2.gz NQTWQJZERBWJTH-ZWNOBZJWSA-N 1 0 266.772 2.405 10 0 CEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC000392918684 270341883 /nfs/dbraw/zinc/34/18/83/270341883.db2.gz HOCAXXXBDXMTLI-WCQYABFASA-N 1 0 252.402 2.460 10 0 CEAERO C[C@H](CCC1CC1)[NH2+]C[C@H](O)COCc1ccco1 ZINC000398101494 270355621 /nfs/dbraw/zinc/35/56/21/270355621.db2.gz XHKSTDOUTSNRGE-OCCSQVGLSA-N 1 0 267.369 2.325 10 0 CEAERO O[C@@H]1CC[C@H]2C[N@H+](CCCOCC(F)(F)F)C[C@@H]2C1 ZINC000399113165 270365685 /nfs/dbraw/zinc/36/56/85/270365685.db2.gz XMRYFRRQURSIMG-SDDRHHMPSA-N 1 0 281.318 2.048 10 0 CEAERO COC(=O)c1cccnc1C[N@@H+]1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000399618899 270371382 /nfs/dbraw/zinc/37/13/82/270371382.db2.gz RCPGOSQSZZOTHD-TUAOUCFPSA-N 1 0 262.353 2.345 10 0 CEAERO C[C@H]1CCN(c2ncnc3sccc32)[C@H](C[NH3+])C1 ZINC000261551112 274564148 /nfs/dbraw/zinc/56/41/48/274564148.db2.gz SDCYYQKLMJAHAW-UWVGGRQHSA-N 1 0 262.382 2.255 10 0 CEAERO Fc1ccc2c(c1)nc(N1CC[NH2+]CC1)c1cccn12 ZINC000013766152 274913698 /nfs/dbraw/zinc/91/36/98/274913698.db2.gz YFOGAJAEMHMGIZ-UHFFFAOYSA-N 1 0 270.311 2.036 10 0 CEAERO O=C([C@@H]1CCc2ccccc21)N1CCC2(C1)CC[NH2+]CC2 ZINC000334268936 275005786 /nfs/dbraw/zinc/00/57/86/275005786.db2.gz QBJOIHUCVAKQHX-MRXNPFEDSA-N 1 0 284.403 2.319 10 0 CEAERO CC1(C)CN(C(=O)c2ccc3c(n2)CCCC3)CC[C@@H]1[NH3+] ZINC000335052316 275842616 /nfs/dbraw/zinc/84/26/16/275842616.db2.gz OKILDPUOHOBJJC-HNNXBMFYSA-N 1 0 287.407 2.160 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(C)oc1C ZINC000176975708 276181681 /nfs/dbraw/zinc/18/16/81/276181681.db2.gz PWUHBZVNGWOOLC-ZDUSSCGKSA-N 1 0 264.369 2.453 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000177696883 276183411 /nfs/dbraw/zinc/18/34/11/276183411.db2.gz IGASTTOZIXNEAZ-HOCLYGCPSA-N 1 0 289.423 2.430 10 0 CEAERO CCCCOC[C@@H](O)C[N@H+](CC)Cc1ccncc1 ZINC000227906095 276238272 /nfs/dbraw/zinc/23/82/72/276238272.db2.gz YCBARZLZBNTVLM-HNNXBMFYSA-N 1 0 266.385 2.081 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000040850586 276271031 /nfs/dbraw/zinc/27/10/31/276271031.db2.gz FGBLQHZIJQVWGP-MHCOZEDOSA-N 1 0 264.413 2.446 10 0 CEAERO CN1CCO[C@@H](C[NH2+][C@H]2CC(C)(C)Cc3occc32)C1 ZINC000180497200 276933933 /nfs/dbraw/zinc/93/39/33/276933933.db2.gz OWFBZBVWPKFIBR-JSGCOSHPSA-N 1 0 278.396 2.213 10 0 CEAERO CN1c2ccccc2[C@H]([NH2+]C[C@H]2CCCOC2)CC1=O ZINC000038045124 277218847 /nfs/dbraw/zinc/21/88/47/277218847.db2.gz NXACLEVZNZXGSL-TZMCWYRMSA-N 1 0 274.364 2.110 10 0 CEAERO COC[C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000114642005 277243796 /nfs/dbraw/zinc/24/37/96/277243796.db2.gz YFPGKWMSTJRNAD-ZBFHGGJFSA-N 1 0 290.407 2.050 10 0 CEAERO C[C@@H]([NH3+])CCC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000070315687 277597148 /nfs/dbraw/zinc/59/71/48/277597148.db2.gz KFKIDXHSKMXPES-LHALRJPCSA-N 1 0 250.386 2.055 10 0 CEAERO CO[C@H](C)C[NH+]1CCN(c2nc3cc(C)ccc3o2)CC1 ZINC000182136016 277710236 /nfs/dbraw/zinc/71/02/36/277710236.db2.gz XLFQFXVKRHZEDL-CYBMUJFWSA-N 1 0 289.379 2.293 10 0 CEAERO COc1cccc2c1CC[C@H]([NH2+][C@H]1CCCn3ncnc31)C2 ZINC000192444366 278035623 /nfs/dbraw/zinc/03/56/23/278035623.db2.gz RLINFABYJSENNL-ZFWWWQNUSA-N 1 0 298.390 2.269 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000261723495 278081559 /nfs/dbraw/zinc/08/15/59/278081559.db2.gz KLEGYMVRPCEXRB-HQJQHLMTSA-N 1 0 290.260 2.406 10 0 CEAERO C[C@H]([NH3+])CCC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000070315880 278225299 /nfs/dbraw/zinc/22/52/99/278225299.db2.gz MHSCLVROXCEQKJ-LPEHRKFASA-N 1 0 266.307 2.351 10 0 CEAERO C[C@@H](C[N@H+](C)Cc1ccccc1)N[C@@H]1CCn2ccnc21 ZINC000293831785 278242339 /nfs/dbraw/zinc/24/23/39/278242339.db2.gz BIAAHLHRDPOEDA-GOEBONIOSA-N 1 0 284.407 2.438 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccccc1N(C)C ZINC000180581696 278276429 /nfs/dbraw/zinc/27/64/29/278276429.db2.gz XUIOXFGAPKRHFA-QWHCGFSZSA-N 1 0 285.395 2.010 10 0 CEAERO CC(C)(C)C1CCC(CNC(=O)C2([NH3+])CCOCC2)CC1 ZINC000261767956 278300900 /nfs/dbraw/zinc/30/09/00/278300900.db2.gz GKTVAQLURFBCBJ-UHFFFAOYSA-N 1 0 296.455 2.463 10 0 CEAERO CC1(C)CN(C(=O)c2c(F)ccc(F)c2F)CC[C@H]1[NH3+] ZINC000335053889 278319161 /nfs/dbraw/zinc/31/91/61/278319161.db2.gz SUBZLTOMZIYJGT-SNVBAGLBSA-N 1 0 286.297 2.303 10 0 CEAERO Cc1c(C[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)cnn1C ZINC000093649971 278596472 /nfs/dbraw/zinc/59/64/72/278596472.db2.gz ZEMCIDJXGMNZOQ-SNVBAGLBSA-N 1 0 287.367 2.070 10 0 CEAERO C[C@@H]1CN(c2ncccc2Br)CC[C@@H]1[NH3+] ZINC000086887335 278816349 /nfs/dbraw/zinc/81/63/49/278816349.db2.gz HJIIQLKKKGZDPC-SCZZXKLOSA-N 1 0 270.174 2.018 10 0 CEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000282289571 279028285 /nfs/dbraw/zinc/02/82/85/279028285.db2.gz IYFWKQPONNMSNE-JOYOIKCWSA-N 1 0 286.297 2.462 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1Nc1nc(C(F)(F)F)ns1 ZINC000228793723 279036087 /nfs/dbraw/zinc/03/60/87/279036087.db2.gz UPCZTGGTLYSIEW-NTSWFWBYSA-N 1 0 266.292 2.109 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+]C[C@H]2CCC[C@H](C)C2)C1 ZINC000263524150 279059356 /nfs/dbraw/zinc/05/93/56/279059356.db2.gz SMPUFNBBDRXKHC-HESLUPGFSA-N 1 0 282.428 2.340 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+][C@@H]2CCC[C@H](C)[C@H]2C)C1 ZINC000263530545 279059693 /nfs/dbraw/zinc/05/96/93/279059693.db2.gz WGHHQDCKIIWHEA-FKQQDJLNSA-N 1 0 282.428 2.338 10 0 CEAERO CC(C)C[C@H](C)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000185279634 279084712 /nfs/dbraw/zinc/08/47/12/279084712.db2.gz JFWRBROBBXGAIT-UONOGXRCSA-N 1 0 252.402 2.365 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CC[C@H]1CCCO1 ZINC000077730552 279121761 /nfs/dbraw/zinc/12/17/61/279121761.db2.gz CXKQOIBMPSCOQP-ZIAGYGMSSA-N 1 0 270.417 2.038 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H]1CCOC(C)(C)C1 ZINC000119712881 279129231 /nfs/dbraw/zinc/12/92/31/279129231.db2.gz XRJMSDSWIOCWHG-UONOGXRCSA-N 1 0 299.459 2.220 10 0 CEAERO C[C@@]([NH3+])(C(=O)Nc1nc2ccccc2[nH]1)c1ccccc1 ZINC000110538202 279149423 /nfs/dbraw/zinc/14/94/23/279149423.db2.gz DSSQCIKHAFPBAB-INIZCTEOSA-N 1 0 280.331 2.376 10 0 CEAERO Cc1[nH+]ccc2[nH]cc(I)c21 ZINC000014986162 279167647 /nfs/dbraw/zinc/16/76/47/279167647.db2.gz AUDKTNCLJDKEJL-UHFFFAOYSA-N 1 0 258.062 2.476 10 0 CEAERO C[C@@H]1C[N@H+](CCC(C)(F)F)C[C@]2(CCCOC2)O1 ZINC000336260310 288155709 /nfs/dbraw/zinc/15/57/09/288155709.db2.gz HVWXPMCBAQKUES-YPMHNXCESA-N 1 0 263.328 2.302 10 0 CEAERO C[C@H]1CC[NH2+]C[C@@H]1Nc1ccc2c(n1)CCCC2=O ZINC000333864307 279736076 /nfs/dbraw/zinc/73/60/76/279736076.db2.gz AOZXIFLDMIOTML-GWCFXTLKSA-N 1 0 259.353 2.011 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+][C@]2(C)CCOC2)C1 ZINC000120243968 279755958 /nfs/dbraw/zinc/75/59/58/279755958.db2.gz XMXYMWXFAUZHFZ-XJKSGUPXSA-N 1 0 298.427 2.402 10 0 CEAERO CCO[C@@H]1C[C@](CO)([NH2+][C@@H](C)C2CCC2)C1(C)C ZINC000192641292 279886580 /nfs/dbraw/zinc/88/65/80/279886580.db2.gz DWXBBPTVQAIYBX-NJZAAPMLSA-N 1 0 255.402 2.331 10 0 CEAERO CC(C)(C(=O)Nc1ccc(F)c(Cl)c1)N1CC[NH2+]CC1 ZINC000129596252 279917524 /nfs/dbraw/zinc/91/75/24/279917524.db2.gz ZPNVIWGXYMALQO-UHFFFAOYSA-N 1 0 299.777 2.101 10 0 CEAERO CCOc1cccnc1C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000137110113 280066296 /nfs/dbraw/zinc/06/62/96/280066296.db2.gz WSVFBRIWODYQTH-CYBMUJFWSA-N 1 0 293.411 2.186 10 0 CEAERO O=C([O-])C[N@H+](CC1CC1)C1CC([NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000263529550 280070752 /nfs/dbraw/zinc/07/07/52/280070752.db2.gz VSBWFIQHKYFDLZ-QDIHITRGSA-N 1 0 292.423 2.092 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1cc(C(F)(F)F)ccc1F ZINC000261694174 280113650 /nfs/dbraw/zinc/11/36/50/280113650.db2.gz HUFKWEHEMPGJFY-WRWORJQWSA-N 1 0 290.260 2.406 10 0 CEAERO c1cnn(CC2CC[NH+](CC[C@H]3CCCO3)CC2)c1 ZINC000189208427 280145776 /nfs/dbraw/zinc/14/57/76/280145776.db2.gz KAFUEFBQPOIYMT-OAHLLOKOSA-N 1 0 263.385 2.164 10 0 CEAERO O[C@@H]1CCCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccno1 ZINC000228489539 280217302 /nfs/dbraw/zinc/21/73/02/280217302.db2.gz BSAWUDZQWALPBT-MELADBBJSA-N 1 0 250.342 2.190 10 0 CEAERO Cc1c(C[NH2+][C@@H]2CCOc3ccccc32)cnn1C ZINC000093649751 280227280 /nfs/dbraw/zinc/22/72/80/280227280.db2.gz OJFOZTVNVFNFQM-CQSZACIVSA-N 1 0 257.337 2.342 10 0 CEAERO CC(C)CCC[C@H](C)NC(=O)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000245450360 280240783 /nfs/dbraw/zinc/24/07/83/280240783.db2.gz OMXXCYYOLALACC-HOTGVXAUSA-N 1 0 295.471 2.097 10 0 CEAERO Cc1c([C@@H](C)[NH2+][C@H]2CCc3ncnn3C2)cnn1C(C)C ZINC000191357350 280253704 /nfs/dbraw/zinc/25/37/04/280253704.db2.gz OCKMHVLCGFJPCH-YPMHNXCESA-N 1 0 288.399 2.030 10 0 CEAERO CCC[C@@H](C)C[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000245648541 280254924 /nfs/dbraw/zinc/25/49/24/280254924.db2.gz GLYLZJMUAKLTIA-ZIAGYGMSSA-N 1 0 251.374 2.020 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](C)c2c(C)n[nH]c2C)C1 ZINC000245714284 280257529 /nfs/dbraw/zinc/25/75/29/280257529.db2.gz UMVWJRBWNXEKRC-SMDDNHRTSA-N 1 0 292.427 2.121 10 0 CEAERO CC(C)[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000246349955 280288576 /nfs/dbraw/zinc/28/85/76/280288576.db2.gz PCIXBZLLCVJUOF-RWMBFGLXSA-N 1 0 255.406 2.013 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2C[C@@H]2C)C1 ZINC000246409521 280291916 /nfs/dbraw/zinc/29/19/16/280291916.db2.gz QODCSZMRCBTYGB-MJBXVCDLSA-N 1 0 267.417 2.062 10 0 CEAERO Cc1ccc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c(O)c1 ZINC000246460563 280295155 /nfs/dbraw/zinc/29/51/55/280295155.db2.gz PHDDFCBDHYSLRW-TZMCWYRMSA-N 1 0 276.380 2.159 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCC2(C3CC3)CC2)C1 ZINC000246792504 280310059 /nfs/dbraw/zinc/31/00/59/280310059.db2.gz SJCVHGLBUTWKCM-TZMCWYRMSA-N 1 0 279.428 2.205 10 0 CEAERO C[C@H]1CN(CCC[N@@H+]2CCS[C@@H](C)C2)CCS1 ZINC000247165244 280322176 /nfs/dbraw/zinc/32/21/76/280322176.db2.gz ZQLDJBAMDDRNMC-STQMWFEESA-N 1 0 274.499 2.251 10 0 CEAERO CCCCOC[C@H](O)C[N@H+](C)[C@H](C)c1ccccn1 ZINC000248662659 280358624 /nfs/dbraw/zinc/35/86/24/280358624.db2.gz YSOKKHIUPVHILN-ZIAGYGMSSA-N 1 0 266.385 2.252 10 0 CEAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC[C@@H]1CCCO1 ZINC000249494034 280399943 /nfs/dbraw/zinc/39/99/43/280399943.db2.gz VUFWEGNCMPWBLH-XQLPTFJDSA-N 1 0 281.396 2.362 10 0 CEAERO COc1c(C[NH2+][C@H]2CC[C@H](C)CC2)c(C)nn1C ZINC000252967918 280451338 /nfs/dbraw/zinc/45/13/38/280451338.db2.gz UUCALOYXWJVNRX-UMSPYCQHSA-N 1 0 251.374 2.405 10 0 CEAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](O)COc1ccccc1F ZINC000300593726 280579077 /nfs/dbraw/zinc/57/90/77/280579077.db2.gz ZESJVDVTXDUSNE-DYEKYZERSA-N 1 0 267.344 2.344 10 0 CEAERO Cc1cc(NC[C@@H]2[NH2+]CCc3ccccc32)ncn1 ZINC000261635273 280627141 /nfs/dbraw/zinc/62/71/41/280627141.db2.gz WKJYHPMRDCSKSE-AWEZNQCLSA-N 1 0 254.337 2.084 10 0 CEAERO Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CN(C)CCO1)[C@@H](C)C2 ZINC000246039206 281120643 /nfs/dbraw/zinc/12/06/43/281120643.db2.gz WYHMSVCLLZTOSQ-JLJPHGGASA-N 1 0 274.408 2.149 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccnc1Cl ZINC000247048095 288317101 /nfs/dbraw/zinc/31/71/01/288317101.db2.gz WCNBSOAXEPHFFJ-RYUDHWBXSA-N 1 0 293.798 2.434 10 0 CEAERO CCCOc1ccc(CNC(=O)[C@@H](CCC)[NH+](C)C)cn1 ZINC000153644862 289118060 /nfs/dbraw/zinc/11/80/60/289118060.db2.gz JRXDWIYSAFGJNN-CQSZACIVSA-N 1 0 293.411 2.217 10 0 CEAERO O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000262739340 289260425 /nfs/dbraw/zinc/26/04/25/289260425.db2.gz HWZVAQWKEHFNGP-RDBSUJKOSA-N 1 0 278.783 2.312 10 0 CEAERO C[C@H]([NH3+])CCC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000070315686 289768115 /nfs/dbraw/zinc/76/81/15/289768115.db2.gz KFKIDXHSKMXPES-HQODWTRASA-N 1 0 250.386 2.055 10 0 CEAERO [NH3+]C[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000044531783 295251606 /nfs/dbraw/zinc/25/16/06/295251606.db2.gz HOWQNZYQFXYTPE-VIFPVBQESA-N 1 0 259.275 2.276 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1cccc(Cl)c1F ZINC000131099481 295270762 /nfs/dbraw/zinc/27/07/62/295270762.db2.gz ZHXDOVDQSHQBRQ-KCJUWKMLSA-N 1 0 270.735 2.336 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CSC(C)(C)C ZINC000247253011 297098171 /nfs/dbraw/zinc/09/81/71/297098171.db2.gz NQSLEYGLFSFFJM-NEPJUHHUSA-N 1 0 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CCN[C@H](CC[N@H+](CC(C)C)C1CC1)C(=O)OCC ZINC000062461098 520186957 /nfs/dbraw/zinc/18/69/57/520186957.db2.gz HMZDRZQOQRSIJF-CQSZACIVSA-N 1 0 270.417 2.038 10 0 CEAERO CCN[C@](C)(C[C@H](C)[N@H+](C)C1CCCCCC1)C(N)=O ZINC000068626727 520238690 /nfs/dbraw/zinc/23/86/90/520238690.db2.gz HKAJUGQWKPAIJW-XJKSGUPXSA-N 1 0 283.460 2.273 10 0 CEAERO CC1(C)Cc2cc([C@@H](O)C3CC[NH2+]CC3)ccc2O1 ZINC000051755486 520578728 /nfs/dbraw/zinc/57/87/28/520578728.db2.gz CCFQEDTXFBGXET-HNNXBMFYSA-N 1 0 261.365 2.433 10 0 CEAERO CC(C)[N@@H+]1CCO[C@@H](CNC(=O)OC(C)(C)C)CC1 ZINC000616593982 500616180 /nfs/dbraw/zinc/61/61/80/500616180.db2.gz NJECUKVFOGBVPX-GFCCVEGCSA-N 1 0 272.389 2.010 10 0 CEAERO CCN(CCC[NH2+]CCOC)c1ccccc1F ZINC000053499543 521021441 /nfs/dbraw/zinc/02/14/41/521021441.db2.gz UQGLBAKFZRMQEH-UHFFFAOYSA-N 1 0 254.349 2.278 10 0 CEAERO CC[N@H+](CCOC)C[C@@H]1C[C@H](C(C)C)CC[C@@H]1O ZINC000054561428 521135528 /nfs/dbraw/zinc/13/55/28/521135528.db2.gz LXDVCYYBUVTWLN-ILXRZTDVSA-N 1 0 257.418 2.388 10 0 CEAERO CCOc1ccc(OCC[NH2+]C[C@H]2CCCO2)cc1 ZINC000048777842 521176614 /nfs/dbraw/zinc/17/66/14/521176614.db2.gz VHQQUJGTVAYGTM-OAHLLOKOSA-N 1 0 265.353 2.233 10 0 CEAERO CCOC(=O)[C@H](CC[N@H+](C)[C@@H](C)C(C)(C)C)NC1CC1 ZINC000062456551 521242312 /nfs/dbraw/zinc/24/23/12/521242312.db2.gz AEUJINNZSBBHPB-JSGCOSHPSA-N 1 0 284.444 2.427 10 0 CEAERO CCOC(=O)[C@H](CC[N@H+](CC(C)C)C1CC1)NC1CC1 ZINC000062461128 521242755 /nfs/dbraw/zinc/24/27/55/521242755.db2.gz WSGMKKJYOMVFPA-HNNXBMFYSA-N 1 0 282.428 2.181 10 0 CEAERO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055089569 521585992 /nfs/dbraw/zinc/58/59/92/521585992.db2.gz ILUOWPCQKGMXCO-UWVGGRQHSA-N 1 0 266.307 2.305 10 0 CEAERO CC[N@@H+]1CCC[C@H](Nc2ncc(Br)cc2N)C1 ZINC000049193347 521649873 /nfs/dbraw/zinc/64/98/73/521649873.db2.gz JMSVSYICRCHJJM-JTQLQIEISA-N 1 0 299.216 2.323 10 0 CEAERO CCCN(CC[NH+](C)C)c1nc(C)c(C(C)=O)s1 ZINC000054863271 521658370 /nfs/dbraw/zinc/65/83/70/521658370.db2.gz SYFCUSOMNUOKEZ-UHFFFAOYSA-N 1 0 269.414 2.432 10 0 CEAERO CCC[N@H+](CC[C@H](NC1CC1)C(=O)OCC)C(C)C ZINC000062446656 521670365 /nfs/dbraw/zinc/67/03/65/521670365.db2.gz XSVOABTVWHCFIS-AWEZNQCLSA-N 1 0 270.417 2.181 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000061316967 521933686 /nfs/dbraw/zinc/93/36/86/521933686.db2.gz SHVLRCVVSCNTOH-UHFFFAOYSA-N 1 0 264.344 2.315 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N[C@H]1CCCC[C@H]1C(F)(F)F ZINC000061316443 521938722 /nfs/dbraw/zinc/93/87/22/521938722.db2.gz LEBQESOQAYIRDO-BDAKNGLRSA-N 1 0 266.307 2.222 10 0 CEAERO C[NH2+]Cc1c(N2CCCC2(C)C)nc2sccn12 ZINC000063071864 522100068 /nfs/dbraw/zinc/10/00/68/522100068.db2.gz AOGZVEKAOSSEHH-UHFFFAOYSA-N 1 0 264.398 2.494 10 0 CEAERO C[NH2+]Cc1ccc(OCCC(=O)OC)c(C(F)(F)F)c1 ZINC000069317720 522122432 /nfs/dbraw/zinc/12/24/32/522122432.db2.gz RAZVUIJOXDXSIV-UHFFFAOYSA-N 1 0 291.269 2.367 10 0 CEAERO C[NH2+]Cc1nnc(-c2cc(OC)ccc2Br)o1 ZINC000050615365 522154086 /nfs/dbraw/zinc/15/40/86/522154086.db2.gz WHAHHXLZYZEZIQ-UHFFFAOYSA-N 1 0 298.140 2.227 10 0 CEAERO COC(=O)c1cc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)cs1 ZINC000411281136 533806164 /nfs/dbraw/zinc/80/61/64/533806164.db2.gz NIBNAOWLWNCKEC-DGCLKSJQSA-N 1 0 294.420 2.203 10 0 CEAERO CN[C@](C)(CC[NH+]1CCC(C(C)(C)C)CC1)C(=O)OC ZINC000050348320 522515930 /nfs/dbraw/zinc/51/59/30/522515930.db2.gz LGSASLUQAJJASH-MRXNPFEDSA-N 1 0 284.444 2.286 10 0 CEAERO C[C@H]([NH2+]Cc1cc[nH]n1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400463037 533912005 /nfs/dbraw/zinc/91/20/05/533912005.db2.gz SBXOAEKWKVYHML-RYUDHWBXSA-N 1 0 294.399 2.145 10 0 CEAERO CCc1nccn1C[C@H]1CC[C@@H](C[NH2+]CC(C)C)O1 ZINC000052593198 522587712 /nfs/dbraw/zinc/58/77/12/522587712.db2.gz VFVPOTQAQGWSKI-UONOGXRCSA-N 1 0 265.401 2.239 10 0 CEAERO OC[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccncc1Cl ZINC000089498372 518203517 /nfs/dbraw/zinc/20/35/17/518203517.db2.gz WNNWODHYKZAGPP-PWSUYJOCSA-N 1 0 254.761 2.233 10 0 CEAERO C(C1CCOCC1)[N@@H+]1CCN[C@H](C2CCCCC2)C1 ZINC000068693870 518382313 /nfs/dbraw/zinc/38/23/13/518382313.db2.gz NLGMZABZUYXNSP-INIZCTEOSA-N 1 0 266.429 2.267 10 0 CEAERO CC(C)(C)[NH2+]CC[C@H]1CS(=O)(=O)c2ccccc21 ZINC000052949499 518758666 /nfs/dbraw/zinc/75/86/66/518758666.db2.gz WGJKBOYKJBWJHN-NSHDSACASA-N 1 0 267.394 2.336 10 0 CEAERO CC(C)(C)[NH2+]Cc1cnc(Cc2ccncc2)nc1 ZINC000054856488 518767934 /nfs/dbraw/zinc/76/79/34/518767934.db2.gz BGGVPPSMZWDKQD-UHFFFAOYSA-N 1 0 256.353 2.351 10 0 CEAERO CC(C)C[C@H](CCS(C)(=O)=O)C[NH2+]C(C)(C)C ZINC000052968728 519335393 /nfs/dbraw/zinc/33/53/93/519335393.db2.gz XDRKADJBQNOMGU-LBPRGKRZSA-N 1 0 263.447 2.472 10 0 CEAERO CC(C)C[C@H](C[NH2+]C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000052951191 519351885 /nfs/dbraw/zinc/35/18/85/519351885.db2.gz ZDSVARWRBIEOTG-CHWSQXEVSA-N 1 0 261.431 2.081 10 0 CEAERO CC(C)Cc1ccc([C@H]([NH3+])CN2CCN(C)C2=O)cc1 ZINC000052885759 519450875 /nfs/dbraw/zinc/45/08/75/519450875.db2.gz ONUQCWPMFZYFHT-OAHLLOKOSA-N 1 0 275.396 2.252 10 0 CEAERO CC(C)CCN(C(=O)C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000054307867 519649093 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10 0 CEAERO CC[NH2+]C[C@@H](CCS(C)(=O)=O)Cc1ccc(C)cc1 ZINC000052974488 519946330 /nfs/dbraw/zinc/94/63/30/519946330.db2.gz ILXKIHYFUKPQPL-HNNXBMFYSA-N 1 0 283.437 2.198 10 0 CEAERO CC[NH2+]C[C@@H](OC[C@@H]1CCOC1)c1ccccc1OC ZINC000050501843 519948185 /nfs/dbraw/zinc/94/81/85/519948185.db2.gz KGMVRXJLLQCFSF-CZUORRHYSA-N 1 0 279.380 2.399 10 0 CEAERO CC[NH2+]C[C@@]1(CCCOCC(F)(F)F)CCOC1 ZINC000054664346 519957290 /nfs/dbraw/zinc/95/72/90/519957290.db2.gz LYMOPZXSJBTZDH-LLVKDONJSA-N 1 0 269.307 2.362 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N(Cc1ccc(C)o1)C1CC1 ZINC000061236791 519960637 /nfs/dbraw/zinc/96/06/37/519960637.db2.gz PBQQMZCVELVWRE-NSHDSACASA-N 1 0 264.369 2.325 10 0 CEAERO CC(C)n1cc(NC(=O)C2(C[NH3+])CCCCC2)cn1 ZINC000061683330 519961439 /nfs/dbraw/zinc/96/14/39/519961439.db2.gz UUFKAGRBSPWGJU-UHFFFAOYSA-N 1 0 264.373 2.312 10 0 CEAERO CC(C)n1cc(NC(=O)[C@H](C[NH3+])Cc2ccccc2)cn1 ZINC000061683341 519963923 /nfs/dbraw/zinc/96/39/23/519963923.db2.gz ZQZICZHDHFINJP-AWEZNQCLSA-N 1 0 286.379 2.220 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccc(NC(C)=O)c(C)c1 ZINC000061230757 519967607 /nfs/dbraw/zinc/96/76/07/519967607.db2.gz OOFSIPZSWDRNFN-NSHDSACASA-N 1 0 277.368 2.138 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000061228382 519969926 /nfs/dbraw/zinc/96/99/26/519969926.db2.gz OIDYDRRKOMTQBU-VIFPVBQESA-N 1 0 263.366 2.480 10 0 CEAERO CC[NH2+]C[C@H](CCS(C)(=O)=O)Cc1cccc(F)c1 ZINC000052977168 519970992 /nfs/dbraw/zinc/97/09/92/519970992.db2.gz KBGDPFUOQUXAGV-CYBMUJFWSA-N 1 0 287.400 2.029 10 0 CEAERO CC[NH2+]C[C@H](CC)Oc1cc(OC)cc(OC)c1 ZINC000070266714 519971895 /nfs/dbraw/zinc/97/18/95/519971895.db2.gz GIJCTCNMJORQNX-NSHDSACASA-N 1 0 253.342 2.471 10 0 CEAERO CCC[NH2+]Cc1occc1CN1CCSCC1 ZINC000052425565 519972368 /nfs/dbraw/zinc/97/23/68/519972368.db2.gz BYFYOHFKZCZODG-UHFFFAOYSA-N 1 0 254.399 2.328 10 0 CEAERO CC[NH2+]C[C@](CC)(CCS(C)(=O)=O)c1ccccc1 ZINC000054659302 519983429 /nfs/dbraw/zinc/98/34/29/519983429.db2.gz KJSNPCAJVQWGGW-HNNXBMFYSA-N 1 0 283.437 2.379 10 0 CEAERO CC[NH2+]Cc1c(C)nn([C@@H]2CCCCC[C@H]2O)c1C ZINC000054600449 519984512 /nfs/dbraw/zinc/98/45/12/519984512.db2.gz HRDRGGKUHWHQNZ-HUUCEWRRSA-N 1 0 265.401 2.476 10 0 CEAERO CCC[NH2+][C@@H](CC[N@H+](C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000062456656 519996953 /nfs/dbraw/zinc/99/69/53/519996953.db2.gz FWFZGARUSBKNLN-RYUDHWBXSA-N 1 0 258.406 2.196 10 0 CEAERO CCC[NH2+][C@@H](CCN1c2ccccc2CC[C@@H]1C)C(N)=O ZINC000062436682 520002074 /nfs/dbraw/zinc/00/20/74/520002074.db2.gz INNIHGQTZXNNPX-ZFWWWQNUSA-N 1 0 289.423 2.071 10 0 CEAERO CC(C)n1ccnc(Oc2cccc(C[NH3+])c2)c1=O ZINC000061770576 520022627 /nfs/dbraw/zinc/02/26/27/520022627.db2.gz YIHXRIWTSFHLRI-UHFFFAOYSA-N 1 0 259.309 2.075 10 0 CEAERO CCC[NH2+][C@@H]1CCc2c1cccc2O[C@@H](C)C(=O)NC ZINC000062800028 520027301 /nfs/dbraw/zinc/02/73/01/520027301.db2.gz MFTBEPNEXSOMSA-SMDDNHRTSA-N 1 0 276.380 2.187 10 0 CEAERO CCC[NH2+][C@@H]1COc2cc(O[C@H]3CCC[C@@H]3O)ccc21 ZINC000062805113 520028242 /nfs/dbraw/zinc/02/82/42/520028242.db2.gz ZRMXAJHIDJAGCY-ILXRZTDVSA-N 1 0 277.364 2.412 10 0 CEAERO CCOCCOc1ccc(C[NH2+]CCOC)cc1OCC ZINC000062731219 520039192 /nfs/dbraw/zinc/03/91/92/520039192.db2.gz NFIDIRUZVCAQHT-UHFFFAOYSA-N 1 0 297.395 2.237 10 0 CEAERO CCCN[C@@](C)(C[C@@H](C)[N@@H+]1CCCC[C@@H]1CC)C(N)=O ZINC000068623383 520042747 /nfs/dbraw/zinc/04/27/47/520042747.db2.gz RTEXMTWGPGLDNS-YCPHGPKFSA-N 1 0 283.460 2.273 10 0 CEAERO CCC[NH2+][C@@](C)(C[C@@H](C)n1cnc2ccccc21)C(N)=O ZINC000068648928 520043625 /nfs/dbraw/zinc/04/36/25/520043625.db2.gz STJJJNSGOBOVKK-WBMJQRKESA-N 1 0 288.395 2.231 10 0 CEAERO CCCN[C@@](C)(C[C@H](C)[NH+](CC1CC1)CC1CC1)C(N)=O ZINC000068647979 520044640 /nfs/dbraw/zinc/04/46/40/520044640.db2.gz JBDIKEAHAATLBT-GUYCJALGSA-N 1 0 295.471 2.131 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)NCCc1cc(F)cc(F)c1 ZINC000061274801 520062900 /nfs/dbraw/zinc/06/29/00/520062900.db2.gz RMBYSDSYXDBZMY-JTQLQIEISA-N 1 0 270.323 2.012 10 0 CEAERO CCC[NH2+][C@H](C)[C@@H](C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000061687208 520063764 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520080552 /nfs/dbraw/zinc/08/05/52/520080552.db2.gz CKHPKYCZVSPADH-LLVKDONJSA-N 1 0 270.373 2.161 10 0 CEAERO CCC[NH2+][C@H](CN(CCOC)CC(C)C)C1CC1 ZINC000069074366 520082591 /nfs/dbraw/zinc/08/25/91/520082591.db2.gz CGDRSROCZAWCGK-OAHLLOKOSA-N 1 0 256.434 2.369 10 0 CEAERO CCN(C(=O)c1ccc(F)c(C)c1)C1CC[NH2+]CC1 ZINC000063058111 520084460 /nfs/dbraw/zinc/08/44/60/520084460.db2.gz FTFHWQVQEJBCLA-UHFFFAOYSA-N 1 0 264.344 2.348 10 0 CEAERO CC[NH2+][C@@H](CCSc1nc2ccccc2s1)C(N)=O ZINC000062597762 520095089 /nfs/dbraw/zinc/09/50/89/520095089.db2.gz HPIRFSNSYADZMU-JTQLQIEISA-N 1 0 295.433 2.242 10 0 CEAERO CCCCCCOC[C@H](O)C[NH2+]C(CC)(CC)CO ZINC000053070485 520100352 /nfs/dbraw/zinc/10/03/52/520100352.db2.gz MLVQQMSKCDZUFG-CQSZACIVSA-N 1 0 275.433 2.085 10 0 CEAERO CCOC[C@@H](O)COc1ccc2c(c1)OC(C)(C)C[C@H]2[NH3+] ZINC000069275731 520106730 /nfs/dbraw/zinc/10/67/30/520106730.db2.gz PGAVSNWQKVBEJQ-BXUZGUMPSA-N 1 0 295.379 2.024 10 0 CEAERO CC[NH2+][C@@H](c1ccc2c(c1)CCCO2)[C@@H]1COCCO1 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10 0 CEAERO CC[NH2+][C@H](C)c1cccc(S(=O)(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000052295397 520179609 /nfs/dbraw/zinc/17/96/09/520179609.db2.gz FPHXZCGCUNFKIZ-MISXGVKJSA-N 1 0 282.409 2.044 10 0 CEAERO CC[NH2+][C@H](CN(CC(F)(F)F)C1CC1)C1CC1 ZINC000069074594 520197321 /nfs/dbraw/zinc/19/73/21/520197321.db2.gz CPKSRURORBPCOL-LLVKDONJSA-N 1 0 250.308 2.401 10 0 CEAERO CC[NH2+][C@H](CN1CCN(C)C1=O)c1ccc(C)cc1C ZINC000052885537 520197468 /nfs/dbraw/zinc/19/74/68/520197468.db2.gz TVZINGUSXKHJNV-OAHLLOKOSA-N 1 0 275.396 2.321 10 0 CEAERO CC[NH2+][C@H](CS(C)(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000055228680 520200294 /nfs/dbraw/zinc/20/02/94/520200294.db2.gz GZPJDVKNMCHMFP-LLVKDONJSA-N 1 0 295.326 2.401 10 0 CEAERO CC[NH2+][C@H](Cn1ccc(=O)c2ccccc21)C1CC1 ZINC000069078362 520205627 /nfs/dbraw/zinc/20/56/27/520205627.db2.gz UDRIOWRKHAOTIH-CQSZACIVSA-N 1 0 256.349 2.390 10 0 CEAERO CC[NH2+][C@H](c1ccc2c(c1)OCCCO2)c1cnccn1 ZINC000055224650 520210094 /nfs/dbraw/zinc/21/00/94/520210094.db2.gz 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/nfs/dbraw/zinc/25/67/93/520256793.db2.gz ZZXQVIFRZKEATL-UHFFFAOYSA-N 1 0 290.411 2.070 10 0 CEAERO CCNc1cc(C(=O)NCC[NH+](C(C)C)C(C)C)ccn1 ZINC000050718763 520261438 /nfs/dbraw/zinc/26/14/38/520261438.db2.gz JPNNXQAQKLQKRE-UHFFFAOYSA-N 1 0 292.427 2.362 10 0 CEAERO CCNc1ncccc1CN(C)C1CC[NH+](CC)CC1 ZINC000052727945 520375828 /nfs/dbraw/zinc/37/58/28/520375828.db2.gz NDLIFWKMCLCJIO-UHFFFAOYSA-N 1 0 276.428 2.430 10 0 CEAERO CCCOc1ccc(C[C@H](C)[NH3+])c(OCCC(=O)OC)c1 ZINC000069318624 520377787 /nfs/dbraw/zinc/37/77/87/520377787.db2.gz QQCRAZDPSOWRHC-LBPRGKRZSA-N 1 0 295.379 2.307 10 0 CEAERO CCCCN(C)c1nc2ccccn2c1C[NH2+]CCOC ZINC000062734500 520437932 /nfs/dbraw/zinc/43/79/32/520437932.db2.gz CDBPNRZXGYZEMZ-UHFFFAOYSA-N 1 0 290.411 2.307 10 0 CEAERO CCCOc1cccc(C(=O)N(CC)[C@H]2CC[NH2+]C2)c1 ZINC000061667405 520440843 /nfs/dbraw/zinc/44/08/43/520440843.db2.gz PVLRNLOEXCVHLC-AWEZNQCLSA-N 1 0 276.380 2.299 10 0 CEAERO CCCOc1cccc([C@H](C[NH3+])NC(=O)OCC)c1 ZINC000052920808 520466282 /nfs/dbraw/zinc/46/62/82/520466282.db2.gz ARLYEQHTHMFFTN-ZDUSSCGKSA-N 1 0 266.341 2.221 10 0 CEAERO CC1(C)CN(c2cccc(Cl)c2C(N)=[NH2+])CCO1 ZINC000052905118 520494188 /nfs/dbraw/zinc/49/41/88/520494188.db2.gz MVFMICYVIPGTJM-UHFFFAOYSA-N 1 0 267.760 2.239 10 0 CEAERO CCCCN(CCO)c1cccc(Cl)c1C(N)=[NH2+] ZINC000052905555 520527950 /nfs/dbraw/zinc/52/79/50/520527950.db2.gz NYQMTYQNIQYXTL-UHFFFAOYSA-N 1 0 269.776 2.223 10 0 CEAERO CC1(C)Cc2cccc(OC[C@H]3CC[C@@H](C[NH3+])O3)c2O1 ZINC000052654401 520585499 /nfs/dbraw/zinc/58/54/99/520585499.db2.gz DKVWKIPYDFQXSF-QWHCGFSZSA-N 1 0 277.364 2.285 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000050599587 520705317 /nfs/dbraw/zinc/70/53/17/520705317.db2.gz FXYOZHUSARUDJL-LSDHHAIUSA-N 1 0 260.381 2.378 10 0 CEAERO CCCCOC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+]C)cc1 ZINC000052395732 520724461 /nfs/dbraw/zinc/72/44/61/520724461.db2.gz QRTGCHDDHKAGOQ-LLVKDONJSA-N 1 0 278.352 2.190 10 0 CEAERO CCOc1cc(F)ccc1NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000164079815 520745993 /nfs/dbraw/zinc/74/59/93/520745993.db2.gz LCDOYYOWGUWCRX-SECBINFHSA-N 1 0 266.316 2.018 10 0 CEAERO CCC[C@@H]([NH2+]C[C@@H](O)CN(C)C)c1cccs1 ZINC000049543910 520776356 /nfs/dbraw/zinc/77/63/56/520776356.db2.gz QUKXCUGIVOGKCJ-VXGBXAGGSA-N 1 0 256.415 2.101 10 0 CEAERO CCOc1ccc(C(=O)N2[C@H](C)CCC[C@@H]2C[NH3+])cc1 ZINC000070152623 520901918 /nfs/dbraw/zinc/90/19/18/520901918.db2.gz WEHIAFGHHVCICS-TZMCWYRMSA-N 1 0 276.380 2.427 10 0 CEAERO CC1CCC(CO)([NH2+]C[C@H](O)COC2CCCCC2)CC1 ZINC000053118258 520926407 /nfs/dbraw/zinc/92/64/07/520926407.db2.gz ATDSRTGPEXDINB-CKDBGZEDSA-N 1 0 299.455 2.227 10 0 CEAERO CCCCSC[C@]([NH2+]CCC)(C(N)=O)C1CC1 ZINC000069184170 520956557 /nfs/dbraw/zinc/95/65/57/520956557.db2.gz WWSJPNJZMKCIJQ-CYBMUJFWSA-N 1 0 258.431 2.153 10 0 CEAERO CCN(CC1CC1)c1nc2ccccn2c1CC[NH3+] ZINC000069265122 520970331 /nfs/dbraw/zinc/97/03/31/520970331.db2.gz ZLRCBAUWVCZLMW-UHFFFAOYSA-N 1 0 258.369 2.072 10 0 CEAERO CC[N@H+](CCC(N)=S)Cc1ccc(F)cc1F ZINC000050884868 520996610 /nfs/dbraw/zinc/99/66/10/520996610.db2.gz KDDFQNLKQMOJLE-UHFFFAOYSA-N 1 0 258.337 2.463 10 0 CEAERO CCOC(=O)[C@@H](C)Oc1cc(F)ccc1[C@@H](C)[NH2+]C ZINC000062746176 521031801 /nfs/dbraw/zinc/03/18/01/521031801.db2.gz RKWQTFITWSFCHS-NXEZZACHSA-N 1 0 269.316 2.437 10 0 CEAERO CCC[C@H](C)N(C)c1c(C[NH2+]CCOC)c(C)nn1C ZINC000062736078 521036405 /nfs/dbraw/zinc/03/64/05/521036405.db2.gz PAOKDTQTWVXHLC-LBPRGKRZSA-N 1 0 282.432 2.089 10 0 CEAERO CC[N@H+](CCOC)[C@H](CC(N)=S)c1ccccc1 ZINC000055025119 521138404 /nfs/dbraw/zinc/13/84/04/521138404.db2.gz QAAGFSRZYHMLQI-CYBMUJFWSA-N 1 0 266.410 2.372 10 0 CEAERO CCOC(=O)[C@@](C)(C[C@H](C)[NH+]1Cc2ccccc2C1)NC ZINC000068642055 521149595 /nfs/dbraw/zinc/14/95/95/521149595.db2.gz HNJQLIXOJOYQNZ-SUMWQHHRSA-N 1 0 290.407 2.322 10 0 CEAERO CCOC(=O)[C@@](C)([NH3+])CCn1c(CC)nc2ccccc21 ZINC000062807983 521154507 /nfs/dbraw/zinc/15/45/07/521154507.db2.gz JAWYYYLPOYIPIU-INIZCTEOSA-N 1 0 289.379 2.269 10 0 CEAERO CCOC(=O)[C@@](C)([NH3+])C[C@@H](C)Sc1nc(C)cc(C)n1 ZINC000068640684 521156760 /nfs/dbraw/zinc/15/67/60/521156760.db2.gz SPZNZUKZUTWDKC-RISCZKNCSA-N 1 0 297.424 2.245 10 0 CEAERO CCOC(=O)[C@@](N)(C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C1CC1 ZINC000069100566 521171113 /nfs/dbraw/zinc/17/11/13/521171113.db2.gz DCYMGNISIPYQTR-JJRVBVJISA-N 1 0 294.439 2.169 10 0 CEAERO CCCC[C@H](CC)[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000069370408 521180542 /nfs/dbraw/zinc/18/05/42/521180542.db2.gz QLEHINGICSQDBX-ZDUSSCGKSA-N 1 0 284.425 2.392 10 0 CEAERO CCN(C[C@@H]([NH2+]C)c1ccc2c(c1)OCCO2)CC1CC1 ZINC000069238055 521214907 /nfs/dbraw/zinc/21/49/07/521214907.db2.gz HIMAQHMJJNVDIE-OAHLLOKOSA-N 1 0 290.407 2.450 10 0 CEAERO CCN(C[C@H](C)C[NH3+])C(=O)c1cc(C)ccc1F ZINC000052980560 521248655 /nfs/dbraw/zinc/24/86/55/521248655.db2.gz FARRHELTJQCNSF-LLVKDONJSA-N 1 0 252.333 2.191 10 0 CEAERO CCOC(=O)[C@H](N)CC[NH+]1CCC(C(C)(C)C)CC1 ZINC000062530682 521258555 /nfs/dbraw/zinc/25/85/55/521258555.db2.gz PWZSEWNYUWJMSA-CYBMUJFWSA-N 1 0 270.417 2.025 10 0 CEAERO CCOc1ccc([C@H](COC)[NH2+]C)cc1OCC ZINC000055226211 521264000 /nfs/dbraw/zinc/26/40/00/521264000.db2.gz ZNCMBIJZXXZBHW-LBPRGKRZSA-N 1 0 253.342 2.391 10 0 CEAERO CCOC(=O)[C@H](c1ccc(F)cc1C)N1CCC[NH2+]CC1 ZINC000050580041 521274891 /nfs/dbraw/zinc/27/48/91/521274891.db2.gz DMLMSVIJTYAKFZ-HNNXBMFYSA-N 1 0 294.370 2.034 10 0 CEAERO CCN(C[C@]([NH2+]C(C)C)(C(N)=O)C1CC1)c1ccccc1 ZINC000069096315 521275212 /nfs/dbraw/zinc/27/52/12/521275212.db2.gz ZCHDWYZVVUPSQA-QGZVFWFLSA-N 1 0 289.423 2.145 10 0 CEAERO CCC[C@]1(C(=O)N[C@@H](C)c2ccco2)CC[NH2+]C1 ZINC000062890752 521299963 /nfs/dbraw/zinc/29/99/63/521299963.db2.gz TZYBCIXPPFXTAL-FZMZJTMJSA-N 1 0 250.342 2.237 10 0 CEAERO CCN(Cc1ccncc1)C(=O)C1(CC)CC[NH2+]CC1 ZINC000062849233 521411598 /nfs/dbraw/zinc/41/15/98/521411598.db2.gz FDGSQEXDUARBIN-UHFFFAOYSA-N 1 0 275.396 2.210 10 0 CEAERO CCN(Cc1ccnc(C(N)=[NH2+])c1)c1ccccc1 ZINC000068761023 521413361 /nfs/dbraw/zinc/41/33/61/521413361.db2.gz BPGNHWJTUFIIPS-UHFFFAOYSA-N 1 0 254.337 2.392 10 0 CEAERO CCN(Cc1ccncc1)[C@@]1(C[NH3+])CCCSC1 ZINC000061590194 521423070 /nfs/dbraw/zinc/42/30/70/521423070.db2.gz WPODUZBQQXHPLK-CQSZACIVSA-N 1 0 265.426 2.128 10 0 CEAERO CCOc1cccc([C@H](Cc2cnn(C)c2)[NH2+]C)c1 ZINC000050542294 521423390 /nfs/dbraw/zinc/42/33/90/521423390.db2.gz SMAHHYFZIGQTOO-HNNXBMFYSA-N 1 0 259.353 2.322 10 0 CEAERO CCOC(=O)c1cc(N[C@@H](C)CC[NH+](C)C)ccc1N ZINC000049562055 521444526 /nfs/dbraw/zinc/44/45/26/521444526.db2.gz ROMMSGWKBYLFDP-NSHDSACASA-N 1 0 279.384 2.198 10 0 CEAERO CCN([C@@](C)(CC)C[NH3+])S(=O)(=O)c1cccc(C)c1 ZINC000050093485 521475329 /nfs/dbraw/zinc/47/53/29/521475329.db2.gz IFYUCRUIBYAAIQ-AWEZNQCLSA-N 1 0 284.425 2.133 10 0 CEAERO CCN([C@H](C)COC)[C@@H](C[NH2+]C)c1ccccc1 ZINC000052505104 521477715 /nfs/dbraw/zinc/47/77/15/521477715.db2.gz JVFWUIZAGXOTAU-HIFRSBDPSA-N 1 0 250.386 2.304 10 0 CEAERO CCCc1nc(N2C[C@@H](C)OC[C@@H]2C)sc1C[NH3+] ZINC000054997257 521534914 /nfs/dbraw/zinc/53/49/14/521534914.db2.gz MOBWATCLOPUMFG-VHSXEESVSA-N 1 0 269.414 2.168 10 0 CEAERO CCCc1nccn1[C@@H](C)C[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000068650305 521555832 /nfs/dbraw/zinc/55/58/32/521555832.db2.gz FOCCLJHQCAMLBH-SWLSCSKDSA-N 1 0 280.416 2.029 10 0 CEAERO CCOc1nc(Cl)nc(NCCC[NH+](CC)CC)n1 ZINC000061516165 521603170 /nfs/dbraw/zinc/60/31/70/521603170.db2.gz MVIFARAGHBBZIH-UHFFFAOYSA-N 1 0 287.795 2.068 10 0 CEAERO CCCn1c(=O)[nH]nc1Sc1ccccc1[C@@H](C)[NH2+]C ZINC000061595920 521616134 /nfs/dbraw/zinc/61/61/34/521616134.db2.gz OCIJWYOSTXRYJS-SNVBAGLBSA-N 1 0 292.408 2.413 10 0 CEAERO CCC[N@H+](CC1CC1)C[C@@](NCC)(C(=O)OCC)C1CC1 ZINC000069131918 521624352 /nfs/dbraw/zinc/62/43/52/521624352.db2.gz HDDCASCITSMTCK-KRWDZBQOSA-N 1 0 296.455 2.430 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccccc2C)C1 ZINC000052500674 521646465 /nfs/dbraw/zinc/64/64/65/521646465.db2.gz PBWMCKGGHLWMQO-HNNXBMFYSA-N 1 0 275.396 2.279 10 0 CEAERO CCCN(CC[NH+](C)C)c1nc(C)c(C=O)s1 ZINC000054966919 521658876 /nfs/dbraw/zinc/65/88/76/521658876.db2.gz XKYRNPSCMAJXBV-UHFFFAOYSA-N 1 0 255.387 2.042 10 0 CEAERO CCC1(CC)CC[NH+]([C@@H](C)C[C@](C)(NC)C(N)=O)CC1 ZINC000068645345 521687398 /nfs/dbraw/zinc/68/73/98/521687398.db2.gz XOQSLKVEGWBAQO-ZFWWWQNUSA-N 1 0 283.460 2.131 10 0 CEAERO CCCN(Cc1cnn(C)c1)C(CC)(CC)C[NH3+] ZINC000050539294 521691669 /nfs/dbraw/zinc/69/16/69/521691669.db2.gz AGYKGFNDIGPOET-UHFFFAOYSA-N 1 0 252.406 2.150 10 0 CEAERO CCNC(=O)COc1ccc(OC)cc1C[NH2+]C(C)(C)C ZINC000062727511 521738709 /nfs/dbraw/zinc/73/87/09/521738709.db2.gz CZRAKLIWXXXPNP-UHFFFAOYSA-N 1 0 294.395 2.098 10 0 CEAERO COCC[C@@H]([NH3+])C(=O)Nc1ccc(Cl)cc1Cl ZINC000052790776 521825924 /nfs/dbraw/zinc/82/59/24/521825924.db2.gz XOHVVULSSMWYOJ-SECBINFHSA-N 1 0 277.151 2.296 10 0 CEAERO CCc1ccccc1C[NH2+]C1CCC(C(N)=O)CC1 ZINC000052202713 521840155 /nfs/dbraw/zinc/84/01/55/521840155.db2.gz PEOVEKYFYYZCJM-UHFFFAOYSA-N 1 0 260.381 2.383 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1C(=O)c1cc2cc(N)ccc2o1 ZINC000061641838 521862978 /nfs/dbraw/zinc/86/29/78/521862978.db2.gz ZDWZXKDEIBSBDR-CYBMUJFWSA-N 1 0 287.363 2.181 10 0 CEAERO CN(C)C[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)CCN2 ZINC000061652428 521871864 /nfs/dbraw/zinc/87/18/64/521871864.db2.gz DGGYZQVLAGFYKA-OAHLLOKOSA-N 1 0 259.397 2.181 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1c1ccc(N)c(OC(C)(C)C)n1 ZINC000061642910 521874160 /nfs/dbraw/zinc/87/41/60/521874160.db2.gz KLZCAXPPWTWMQI-GFCCVEGCSA-N 1 0 292.427 2.372 10 0 CEAERO COc1cc(-c2noc(C3(C)CC[NH2+]CC3)n2)ccc1O ZINC000062843184 521913777 /nfs/dbraw/zinc/91/37/77/521913777.db2.gz RBMCHVKDEXHOLU-UHFFFAOYSA-N 1 0 289.335 2.092 10 0 CEAERO CCc1ccccc1[C@@H](C[NH3+])N(CC)CCOC ZINC000052203757 521929228 /nfs/dbraw/zinc/92/92/28/521929228.db2.gz GTVBOANBBJFZSP-OAHLLOKOSA-N 1 0 250.386 2.217 10 0 CEAERO CCc1ccccc1[C@@H](C[NH3+])N1CCOC[C@@H]1CC ZINC000052203579 521931948 /nfs/dbraw/zinc/93/19/48/521931948.db2.gz XJLPDWBWMVCIRW-GOEBONIOSA-N 1 0 262.397 2.360 10 0 CEAERO C[NH2+]C[C@@H](OCCOC(C)C)c1ccc(OC)cc1 ZINC000050494887 522035978 /nfs/dbraw/zinc/03/59/78/522035978.db2.gz LFVUHWBVRKKKAM-OAHLLOKOSA-N 1 0 267.369 2.397 10 0 CEAERO C[NH2+]C[C@@H](Oc1ccc(CCOC)cc1)C(C)C ZINC000052699165 522038149 /nfs/dbraw/zinc/03/81/49/522038149.db2.gz WKXLISQRFPYYJA-OAHLLOKOSA-N 1 0 251.370 2.498 10 0 CEAERO C[NH2+]C[C@@H](OC[C@H]1CCOC1)c1ccc(F)cc1 ZINC000050501684 522038669 /nfs/dbraw/zinc/03/86/69/522038669.db2.gz CPPAIEFUWBHXRU-SMDDNHRTSA-N 1 0 253.317 2.139 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1C(=O)CCOc1cccc(C)c1 ZINC000063167471 522078831 /nfs/dbraw/zinc/07/88/31/522078831.db2.gz UORVWSXWCDPWJL-OAHLLOKOSA-N 1 0 290.407 2.364 10 0 CEAERO C[NH2+]C[C@H]1CCN(c2ccccc2Br)C1 ZINC000053012930 522092772 /nfs/dbraw/zinc/09/27/72/522092772.db2.gz JUPGPDOHYPHTAA-SNVBAGLBSA-N 1 0 269.186 2.495 10 0 CEAERO C[NH2+]C[C@]1(CN(C)c2ccc(C)cc2C)CCOC1 ZINC000051254099 522097708 /nfs/dbraw/zinc/09/77/08/522097708.db2.gz JCHXJLZJAPRNTD-INIZCTEOSA-N 1 0 262.397 2.366 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc(NC)cc2)CC1 ZINC000055085309 522116204 /nfs/dbraw/zinc/11/62/04/522116204.db2.gz ZBHNHVWHYJIOLV-CYBMUJFWSA-N 1 0 275.396 2.285 10 0 CEAERO C[NH2+]Cc1cccc(Cn2nnc3ccccc32)c1 ZINC000052576562 522126292 /nfs/dbraw/zinc/12/62/92/522126292.db2.gz LPUVIQQRYXJNRN-UHFFFAOYSA-N 1 0 252.321 2.199 10 0 CEAERO C[NH2+]Cc1coc(CN2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000052573161 522149972 /nfs/dbraw/zinc/14/99/72/522149972.db2.gz OYEYWTRNKYBPDV-LSDHHAIUSA-N 1 0 264.369 2.142 10 0 CEAERO CC[C@@H](C)NC(=O)C[NH2+][C@H]1CCOc2ccccc21 ZINC000049855056 522167885 /nfs/dbraw/zinc/16/78/85/522167885.db2.gz AYSOJMZZKXFJBY-YPMHNXCESA-N 1 0 262.353 2.015 10 0 CEAERO COC(=O)c1cccc(NC(=O)[C@@]2(C)CCC[NH2+]C2)c1C ZINC000062855341 522235037 /nfs/dbraw/zinc/23/50/37/522235037.db2.gz XTOGAPPGBKTWQB-INIZCTEOSA-N 1 0 290.363 2.110 10 0 CEAERO COC[C@@H](C)Oc1cccc(C[NH2+]C(C)(C)C)n1 ZINC000070208991 522264297 /nfs/dbraw/zinc/26/42/97/522264297.db2.gz LXGUAVBJBMNSJY-LLVKDONJSA-N 1 0 252.358 2.383 10 0 CEAERO CC[C@@H](C)Oc1cccc(NC(=O)[C@@H]2CC[NH2+]C2)c1 ZINC000062116818 522271522 /nfs/dbraw/zinc/27/15/22/522271522.db2.gz LAXFPUAPQVFVQB-VXGBXAGGSA-N 1 0 262.353 2.412 10 0 CEAERO CCc1nc(CN2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cs1 ZINC000051359726 522305737 /nfs/dbraw/zinc/30/57/37/522305737.db2.gz OACOVDJXCRVFFC-QWHCGFSZSA-N 1 0 265.426 2.422 10 0 CEAERO COc1cc(CC[NH3+])ccc1OCCOC(C)C ZINC000049261019 522328801 /nfs/dbraw/zinc/32/88/01/522328801.db2.gz ISTZZNRTSUTFCO-UHFFFAOYSA-N 1 0 253.342 2.000 10 0 CEAERO CC[C@H]([NH3+])Cc1ccnc(-c2ccccc2OC)n1 ZINC000054834934 522335594 /nfs/dbraw/zinc/33/55/94/522335594.db2.gz ROMWHJZNYZSQRM-NSHDSACASA-N 1 0 257.337 2.432 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1cc(C)nn1C)C(F)(F)F ZINC000052309663 522341725 /nfs/dbraw/zinc/34/17/25/522341725.db2.gz DQFPTRSAMMRIGV-CBAPKCEASA-N 1 0 267.320 2.489 10 0 CEAERO C[NH2+][C@@H](C)c1sc(N2CCSCC2)nc1C ZINC000054901761 522343465 /nfs/dbraw/zinc/34/34/65/522343465.db2.gz DKOXACGKWMPVFO-QMMMGPOBSA-N 1 0 257.428 2.285 10 0 CEAERO C[NH2+][C@@H](Cc1cc(C)ccc1OC)c1ncccn1 ZINC000050706852 522359386 /nfs/dbraw/zinc/35/93/86/522359386.db2.gz CEXDGMOGUIOCEZ-ZDUSSCGKSA-N 1 0 257.337 2.297 10 0 CEAERO C[NH2+][C@@H](Cc1ccc(OC)c(OC)c1)[C@H]1CCCOC1 ZINC000062237227 522359764 /nfs/dbraw/zinc/35/97/64/522359764.db2.gz DSKBPHDXYUELMC-KBPBESRZSA-N 1 0 279.380 2.261 10 0 CEAERO C[NH2+][C@@H](Cn1ncccc1=O)c1ccc(C(C)C)cc1 ZINC000061402341 522365671 /nfs/dbraw/zinc/36/56/71/522365671.db2.gz OHXFRVXHKMCSOX-HNNXBMFYSA-N 1 0 271.364 2.327 10 0 CEAERO C[NH2+][C@@H](Cn1ncccc1=O)c1ccc(CC(C)C)cc1 ZINC000061402243 522365934 /nfs/dbraw/zinc/36/59/34/522365934.db2.gz BMGBTTWJEFAVMX-INIZCTEOSA-N 1 0 285.391 2.403 10 0 CEAERO C[NH2+][C@@H](Cn1nc(C)ccc1=O)c1c(C)cc(C)cc1C ZINC000061810240 522366132 /nfs/dbraw/zinc/36/61/32/522366132.db2.gz AFERNLCCWCKAFH-HNNXBMFYSA-N 1 0 285.391 2.438 10 0 CEAERO C[NH2+][C@@H](c1ccc(Br)s1)[C@H]1COCCO1 ZINC000055301042 522367794 /nfs/dbraw/zinc/36/77/94/522367794.db2.gz WOVVRBLFDOLCEF-GMSGAONNSA-N 1 0 292.198 2.187 10 0 CEAERO C[NH2+][C@@H]1CCO[C@](C)(c2ccc3c(c2)OCCO3)C1 ZINC000070341821 522396082 /nfs/dbraw/zinc/39/60/82/522396082.db2.gz CHPYHEMVPYONRX-DOMZBBRYSA-N 1 0 263.337 2.071 10 0 CEAERO C[NH2+][C@@H]1CCO[C@H](c2ccc(OC)c(OC)c2OC)C1 ZINC000070340534 522396259 /nfs/dbraw/zinc/39/62/59/522396259.db2.gz CJOCGQRMQCPPRC-MFKMUULPSA-N 1 0 281.352 2.152 10 0 CEAERO C[NH2+][C@@H]1CCc2c1cccc2OC[C@@H](O)C(F)(F)F ZINC000068878056 522397463 /nfs/dbraw/zinc/39/74/63/522397463.db2.gz DQUYVXMQSIQBDZ-ZYHUDNBSSA-N 1 0 275.270 2.195 10 0 CEAERO COC(=O)c1occc1CN1CCC[C@H](C[NH2+]C(C)C)C1 ZINC000063139127 522410234 /nfs/dbraw/zinc/41/02/34/522410234.db2.gz VNCFQBWELGTSCB-CYBMUJFWSA-N 1 0 294.395 2.276 10 0 CEAERO CN[C@@](C)(C[C@H](C)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)OC ZINC000068627095 522418414 /nfs/dbraw/zinc/41/84/14/522418414.db2.gz WWKHUBSYCDAALS-MPTYRVRUSA-N 1 0 296.455 2.428 10 0 CEAERO C[NH2+][C@H](C)CCCOc1ccc2c(c1)CCC(=O)N2 ZINC000045614703 522440660 /nfs/dbraw/zinc/44/06/60/522440660.db2.gz UKQHWBFEPDAYLF-LLVKDONJSA-N 1 0 262.353 2.338 10 0 CEAERO C[NH2+][C@H](C)c1cccc(NC(=O)[C@H]2CCCCO2)c1 ZINC000050959785 522450771 /nfs/dbraw/zinc/45/07/71/522450771.db2.gz GZSRHOANSFCMHE-BXUZGUMPSA-N 1 0 262.353 2.475 10 0 CEAERO C[NH2+][C@H](C)c1ccccc1NC(=O)[C@H]1CCCCO1 ZINC000050959809 522451451 /nfs/dbraw/zinc/45/14/51/522451451.db2.gz UIMLJEJUJZCDKR-BXUZGUMPSA-N 1 0 262.353 2.475 10 0 CEAERO COc1cc(C[NH2+]C[C@@H](C)CSC)ccc1O ZINC000069436736 522456914 /nfs/dbraw/zinc/45/69/14/522456914.db2.gz JKVBSYFBIHKMDT-SNVBAGLBSA-N 1 0 255.383 2.490 10 0 CEAERO C[NH2+][C@H](c1ccc2c(c1)CC(=O)N2)[C@@H]1CCCCO1 ZINC000050961584 522482514 /nfs/dbraw/zinc/48/25/14/522482514.db2.gz UBNVNHDTJPAGFW-DZGCQCFKSA-N 1 0 260.337 2.011 10 0 CEAERO C[NH2+][C@H]1CCC2(C[C@H]1OCc1ccccc1F)OCCO2 ZINC000069283475 522487070 /nfs/dbraw/zinc/48/70/70/522487070.db2.gz ROJPFSBUEIWHHU-LSDHHAIUSA-N 1 0 295.354 2.226 10 0 CEAERO C[NH2+][C@H](c1nccn1C)c1cccc2cccnc21 ZINC000061418630 522488450 /nfs/dbraw/zinc/48/84/50/522488450.db2.gz FRWPXKXLFGHMKV-AWEZNQCLSA-N 1 0 252.321 2.277 10 0 CEAERO C[NH2+][C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1=O ZINC000061626966 522502996 /nfs/dbraw/zinc/50/29/96/522502996.db2.gz QDCLMDJQKLDACH-NSHDSACASA-N 1 0 272.270 2.026 10 0 CEAERO C[NH2+][C@H]1COc2cc(OCc3cc(C)no3)ccc21 ZINC000062804183 522507266 /nfs/dbraw/zinc/50/72/66/522507266.db2.gz BUPPQMJIILZIPH-ZDUSSCGKSA-N 1 0 260.293 2.215 10 0 CEAERO C[NH2+][C@](C)(C[C@@H](C)Oc1cccc(C(C)C)c1)C(N)=O ZINC000068655343 522520267 /nfs/dbraw/zinc/52/02/67/522520267.db2.gz ZVSKHCPWVVVPBE-MLGOLLRUSA-N 1 0 278.396 2.431 10 0 CEAERO CC[C@@H](CCOCC(F)(F)F)C[NH2+]CCOC ZINC000054663593 522525569 /nfs/dbraw/zinc/52/55/69/522525569.db2.gz UURJFLYUYGZYOH-JTQLQIEISA-N 1 0 257.296 2.218 10 0 CEAERO CCc1nccn1-c1c(C[NH2+]CC(C)C)c(C)nn1C ZINC000062738811 522580136 /nfs/dbraw/zinc/58/01/36/522580136.db2.gz YLGPWGCGRWIOIS-UHFFFAOYSA-N 1 0 275.400 2.222 10 0 CEAERO CCc1nccn1-c1ccccc1C[NH2+]CCOC ZINC000062738834 522580188 /nfs/dbraw/zinc/58/01/88/522580188.db2.gz PJYNDAWBVNPOHS-UHFFFAOYSA-N 1 0 259.353 2.171 10 0 CEAERO CNc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000050775631 522591027 /nfs/dbraw/zinc/59/10/27/522591027.db2.gz SEHDTAZTRKTMDC-ZDUSSCGKSA-N 1 0 275.396 2.188 10 0 CEAERO CNc1ccc(C)cc1C(=O)NCC(C)(C)C[NH+](C)C ZINC000052999774 522600924 /nfs/dbraw/zinc/60/09/24/522600924.db2.gz YJNRMSXHONBYOV-UHFFFAOYSA-N 1 0 277.412 2.354 10 0 CEAERO CC[C@H]([NH2+]C[C@H]1CCC(=O)N1)c1ccc(OC)cc1 ZINC000070210881 522631420 /nfs/dbraw/zinc/63/14/20/522631420.db2.gz LUABPHKWIKILQV-OCCSQVGLSA-N 1 0 262.353 2.015 10 0 CEAERO CN(CC1CC1)c1cc(C(N)=[NH2+])c2ccccc2n1 ZINC000068797810 522633485 /nfs/dbraw/zinc/63/34/85/522633485.db2.gz PQLJXGPUYHQVFQ-UHFFFAOYSA-N 1 0 254.337 2.365 10 0 CEAERO CC[C@@H]([NH3+])Cc1nccn1Cc1cccc(F)c1F ZINC000062803118 522647455 /nfs/dbraw/zinc/64/74/55/522647455.db2.gz XDXWRWONGMRAMO-LLVKDONJSA-N 1 0 265.307 2.489 10 0 CEAERO CNc1nc(C[N@H+](C)C2CCOCC2)nc2sccc21 ZINC000050814134 522681532 /nfs/dbraw/zinc/68/15/32/522681532.db2.gz WFVVZMCGXDHVDJ-UHFFFAOYSA-N 1 0 292.408 2.344 10 0 CEAERO CNc1nc2ccccc2cc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000050817167 522690274 /nfs/dbraw/zinc/69/02/74/522690274.db2.gz PMGRKPFLUDAAKX-CQSZACIVSA-N 1 0 271.364 2.233 10 0 CEAERO CC[C@H]([NH2+][C@@H]1CC(=O)N(C2CCCCC2)C1=O)C(C)C ZINC000049128557 522707985 /nfs/dbraw/zinc/70/79/85/522707985.db2.gz MGPUNHPBRJSWIM-UONOGXRCSA-N 1 0 280.412 2.471 10 0 CEAERO COC1CCN(c2ncc(C[NH2+]C3CC3)s2)CC1 ZINC000054903169 522708680 /nfs/dbraw/zinc/70/86/80/522708680.db2.gz DQISEIOBOPYYBB-UHFFFAOYSA-N 1 0 267.398 2.010 10 0 CEAERO C[N@H+](CCCNC[C@H](O)C(F)(F)F)C1CCCCC1 ZINC000068879267 522772312 /nfs/dbraw/zinc/77/23/12/522772312.db2.gz XFJZGVVDGGWXJZ-LBPRGKRZSA-N 1 0 282.350 2.154 10 0 CEAERO CC[C@H](O)COc1cc2c(cc1C[NH2+]C(C)(C)C)OCO2 ZINC000062733888 522821373 /nfs/dbraw/zinc/82/13/73/522821373.db2.gz BOUNUKWPBVDADD-LBPRGKRZSA-N 1 0 295.379 2.453 10 0 CEAERO CN(CC[NH2+]CCc1cccs1)CC(F)(F)F ZINC000053386266 522867324 /nfs/dbraw/zinc/86/73/24/522867324.db2.gz TUJUZOAELXKDKI-UHFFFAOYSA-N 1 0 266.332 2.374 10 0 CEAERO CC[C@H](Oc1ccc(C[NH2+]CC(C)C)cc1)C(N)=O ZINC000062728984 522871317 /nfs/dbraw/zinc/87/13/17/522871317.db2.gz HTTNAALKJSNYBW-AWEZNQCLSA-N 1 0 264.369 2.075 10 0 CEAERO COCC1CC[NH+](C[C@@](C)(O)c2ccccc2)CC1 ZINC000070081591 522936004 /nfs/dbraw/zinc/93/60/04/522936004.db2.gz QREFZJXVPWIRMI-MRXNPFEDSA-N 1 0 263.381 2.253 10 0 CEAERO COCC1CCN(c2ccc(C(N)=[NH2+])cc2Cl)CC1 ZINC000070081186 522937615 /nfs/dbraw/zinc/93/76/15/522937615.db2.gz AMEPPDYOMQFBAS-UHFFFAOYSA-N 1 0 281.787 2.487 10 0 CEAERO CCc1oc(C(=O)OC)cc1C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000183156134 522998822 /nfs/dbraw/zinc/99/88/22/522998822.db2.gz PAFPXNSRLSCPEH-GWCFXTLKSA-N 1 0 281.352 2.286 10 0 CEAERO CCn1c(=O)[nH]nc1Sc1ccc([C@@H](C)[NH2+]C)cc1F ZINC000061595849 523097092 /nfs/dbraw/zinc/09/70/92/523097092.db2.gz RFUCOFLPSHTCNL-MRVPVSSYSA-N 1 0 296.371 2.162 10 0 CEAERO COC(=O)CCOc1ccc(Cl)cc1[C@@H](C)[NH3+] ZINC000069317408 523105799 /nfs/dbraw/zinc/10/57/99/523105799.db2.gz ZBFVWHGKYHQFRA-MRVPVSSYSA-N 1 0 257.717 2.302 10 0 CEAERO COC(=O)CC[C@H]([NH3+])Cc1ccc(OC(F)(F)F)cc1 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CCn1ccnc1[C@@H](Cc1ccc(OC)cc1)[NH2+]C ZINC000069497949 523554572 /nfs/dbraw/zinc/55/45/72/523554572.db2.gz FYHHYDIAINJCNO-CQSZACIVSA-N 1 0 259.353 2.415 10 0 CEAERO CC[C@@]1(C(=O)NCc2ccccc2C)CCC[NH2+]C1 ZINC000062856025 523695825 /nfs/dbraw/zinc/69/58/25/523695825.db2.gz GUWOCNIXWMUVBE-MRXNPFEDSA-N 1 0 260.381 2.391 10 0 CEAERO CC[C@@]1(C(=O)Nc2ccc3c(c2)OCCO3)CCC[NH2+]C1 ZINC000062852839 523698253 /nfs/dbraw/zinc/69/82/53/523698253.db2.gz CRURTUDSAUINKV-MRXNPFEDSA-N 1 0 290.363 2.176 10 0 CEAERO CC[C@@]1(c2nc(Cc3cccnc3)no2)CCC[NH2+]C1 ZINC000062872417 523748080 /nfs/dbraw/zinc/74/80/80/523748080.db2.gz DMHLPFWYDPFJDJ-OAHLLOKOSA-N 1 0 272.352 2.087 10 0 CEAERO CC[C@@]1(c2nc(-c3ccc(O)c(OC)c3)no2)CC[NH2+]C1 ZINC000062915703 523749368 /nfs/dbraw/zinc/74/93/68/523749368.db2.gz RSVSTHLEMUIFLX-OAHLLOKOSA-N 1 0 289.335 2.092 10 0 CEAERO COCCN([C@@H](C[NH3+])CCc1ccccc1)C1CC1 ZINC000061624990 523779822 /nfs/dbraw/zinc/77/98/22/523779822.db2.gz YYAGZWULYWMQCN-MRXNPFEDSA-N 1 0 262.397 2.057 10 0 CEAERO COCCN1C(=O)CC[C@H]([NH3+])[C@@H]1c1ccc(C(C)C)cc1 ZINC000062213559 523796453 /nfs/dbraw/zinc/79/64/53/523796453.db2.gz DUCJRQRRTQDZOD-RDJZCZTQSA-N 1 0 290.407 2.447 10 0 CEAERO COc1ccc(C)cc1C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000052943818 523803342 /nfs/dbraw/zinc/80/33/42/523803342.db2.gz ABGBPXKBELZUPD-CHWSQXEVSA-N 1 0 262.353 2.003 10 0 CEAERO COc1ccc(C)cc1C[N@H+](C)CCC(N)=S ZINC000050704060 523807776 /nfs/dbraw/zinc/80/77/76/523807776.db2.gz SJEGPZULGPQCGK-UHFFFAOYSA-N 1 0 252.383 2.112 10 0 CEAERO COC(=O)[C@@](C)([NH3+])CCCOc1cc(C)cc(C)c1 ZINC000045516214 523816708 /nfs/dbraw/zinc/81/67/08/523816708.db2.gz HUEZUWQBAKYERW-HNNXBMFYSA-N 1 0 265.353 2.353 10 0 CEAERO COC(=O)[C@@](C)(C[C@H](C)[NH+]1CCC(C)CC1)NC1CC1 ZINC000068618548 523817846 /nfs/dbraw/zinc/81/78/46/523817846.db2.gz MLHSIGVNGHMDCV-XJKSGUPXSA-N 1 0 282.428 2.181 10 0 CEAERO COC(=O)[C@@](C[N@H+](C)[C@@H](C)C1CC1)(NC(C)C)C1CC1 ZINC000069099856 523823526 /nfs/dbraw/zinc/82/35/26/523823526.db2.gz LBVBENDZWLVVGB-LRDDRELGSA-N 1 0 282.428 2.037 10 0 CEAERO CCc1ccc(-c2c[nH]c(C[NH2+]CCOC)n2)s1 ZINC000069236664 523852973 /nfs/dbraw/zinc/85/29/73/523852973.db2.gz QGPKNISRVSUQRK-UHFFFAOYSA-N 1 0 265.382 2.437 10 0 CEAERO COc1ccc(C)cc1[C@H](O)C[NH2+][C@H]1CCC[C@@H]1OC ZINC000050372978 523859830 /nfs/dbraw/zinc/85/98/30/523859830.db2.gz QSDHZUWNSBMOGE-LZWOXQAQSA-N 1 0 279.380 2.194 10 0 CEAERO CCc1ccc(C(=O)[C@@H](C)N2CCC[NH2+]CC2)cc1 ZINC000050499184 523899180 /nfs/dbraw/zinc/89/91/80/523899180.db2.gz RKSBZJZRADKROO-CYBMUJFWSA-N 1 0 260.381 2.116 10 0 CEAERO CC[C@H](C)C[C@H](C[NH2+]C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000052951757 523903635 /nfs/dbraw/zinc/90/36/35/523903635.db2.gz CXCIQQPZZWWDNV-YNEHKIRRSA-N 1 0 273.442 2.226 10 0 CEAERO COCC[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000055030498 523940116 /nfs/dbraw/zinc/94/01/16/523940116.db2.gz KVRLRPIYHNRDRJ-LLVKDONJSA-N 1 0 264.152 2.263 10 0 CEAERO COCC[NH2+]C[C@@H]1C[C@@]1(C)c1ccc(F)cc1F ZINC000054599036 523941735 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/nfs/dbraw/zinc/96/14/70/523961470.db2.gz ZJGFNVOOJVXTII-JQWIXIFHSA-N 1 0 283.441 2.425 10 0 CEAERO CO[C@H]1CCC[C@@H](OC(=O)C2([NH3+])CCC(C)CC2)C1 ZINC000070323102 523976731 /nfs/dbraw/zinc/97/67/31/523976731.db2.gz NVNSUJFQTJZDNJ-SBEAFCBVSA-N 1 0 269.385 2.395 10 0 CEAERO C[N@@H+]1CC[C@H](CNc2cc(Cl)ccc2C(N)=S)C1 ZINC000062788136 523982580 /nfs/dbraw/zinc/98/25/80/523982580.db2.gz KLEDNGCKIJQAON-SECBINFHSA-N 1 0 283.828 2.338 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)Nc1ccc(F)cc1OC ZINC000049569986 524003360 /nfs/dbraw/zinc/00/33/60/524003360.db2.gz LTUODILYAJMFER-VIFPVBQESA-N 1 0 254.305 2.161 10 0 CEAERO COc1ccc(C[N@@H+]2CCC[C@@H]2CCCO)cc1N ZINC000052756949 524027651 /nfs/dbraw/zinc/02/76/51/524027651.db2.gz GHPGVSCCICBNAX-CYBMUJFWSA-N 1 0 264.369 2.014 10 0 CEAERO COCCO[C@@H](C[NH2+]C1CC1)c1cccc(F)c1 ZINC000050495840 524028945 /nfs/dbraw/zinc/02/89/45/524028945.db2.gz MTKDWKOKYIHXMN-AWEZNQCLSA-N 1 0 253.317 2.282 10 0 CEAERO COCCO[C@H](C[NH2+]C1CC1)c1ccccc1OC ZINC000050496054 524034314 /nfs/dbraw/zinc/03/43/14/524034314.db2.gz AJXOMKDONUYQIJ-OAHLLOKOSA-N 1 0 265.353 2.151 10 0 CEAERO COc1ccc(CN2CC[C@@H](C[NH2+]C3CC3)C2)cc1 ZINC000053011081 524036646 /nfs/dbraw/zinc/03/66/46/524036646.db2.gz ZBELQVNMDLAENL-AWEZNQCLSA-N 1 0 260.381 2.269 10 0 CEAERO COCCOc1ccc(C[C@H](C)[NH3+])cc1Br ZINC000062704458 524045680 /nfs/dbraw/zinc/04/56/80/524045680.db2.gz YLVUPERYXUSKJO-VIFPVBQESA-N 1 0 288.185 2.364 10 0 CEAERO CCc1ccc([C@H](COC)[NH2+]C[C@H](O)COC(C)(C)C)o1 ZINC000184775179 524050761 /nfs/dbraw/zinc/05/07/61/524050761.db2.gz KIRVFQJLZSZAMV-JSGCOSHPSA-N 1 0 299.411 2.295 10 0 CEAERO CNC(=O)CCCOc1ccccc1C[NH2+]C(C)(C)C ZINC000068816784 524065853 /nfs/dbraw/zinc/06/58/53/524065853.db2.gz RUVZSVNHFWESAH-UHFFFAOYSA-N 1 0 278.396 2.480 10 0 CEAERO COc1ccc(C[NH2+]C(C)(C)C)c(O[C@H]2CCOC2=O)c1 ZINC000062733134 524069022 /nfs/dbraw/zinc/06/90/22/524069022.db2.gz XSZKMTSPDXAXHL-ZDUSSCGKSA-N 1 0 293.363 2.278 10 0 CEAERO CNC(=O)CCOc1ccccc1C[NH2+]C(C)(C)C ZINC000062729313 524069944 /nfs/dbraw/zinc/06/99/44/524069944.db2.gz JFVQWYQKXUUOPZ-UHFFFAOYSA-N 1 0 264.369 2.090 10 0 CEAERO CNC(=O)[C@@H](CC(C)C)[NH2+]Cc1ccc(F)c(C)c1 ZINC000050545505 524081010 /nfs/dbraw/zinc/08/10/10/524081010.db2.gz YMIIJZSBLAYCLM-CQSZACIVSA-N 1 0 266.360 2.384 10 0 CEAERO C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1CCC[C@@H]1CCCO ZINC000052762233 524108850 /nfs/dbraw/zinc/10/88/50/524108850.db2.gz ARAZYYBQULIDKC-LSDHHAIUSA-N 1 0 282.428 2.014 10 0 CEAERO C[C@H]1CCC[C@@H](C(=O)NCc2ccc(F)c(F)c2)[NH2+]1 ZINC000049575595 524128732 /nfs/dbraw/zinc/12/87/32/524128732.db2.gz NLPLQJZFXPSGSP-ZANVPECISA-N 1 0 268.307 2.112 10 0 CEAERO C[C@H]1CCC[C@H](NC(=O)C2CCC(C[NH3+])CC2)C1 ZINC000055147040 524204082 /nfs/dbraw/zinc/20/40/82/524204082.db2.gz MQJJJYQVGCKKCO-ABXWRUBCSA-N 1 0 252.402 2.446 10 0 CEAERO C[C@@H](C(=O)Nc1ccc(-c2cnco2)cc1)C1C[NH2+]C1 ZINC000164122655 524247158 /nfs/dbraw/zinc/24/71/58/524247158.db2.gz SAWRTDONKJJWGL-SNVBAGLBSA-N 1 0 271.320 2.136 10 0 CEAERO Cc1cccc(C)c1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000049642016 524303437 /nfs/dbraw/zinc/30/34/37/524303437.db2.gz JEGHMPSVUGIWFU-UHFFFAOYSA-N 1 0 282.409 2.045 10 0 CEAERO C[C@H](C[NH3+])C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000054340139 524305663 /nfs/dbraw/zinc/30/56/63/524305663.db2.gz DWUOUSDFDOSHPI-SECBINFHSA-N 1 0 261.350 2.343 10 0 CEAERO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CCC[C@@H]1CCCO ZINC000052762438 524357130 /nfs/dbraw/zinc/35/71/30/524357130.db2.gz WFQSEOWDCFKFLY-QLFBSQMISA-N 1 0 282.428 2.013 10 0 CEAERO C[C@@H]1CCC[C@H](C[NH3+])N1Cc1noc(-c2ccco2)n1 ZINC000070155107 524375484 /nfs/dbraw/zinc/37/54/84/524375484.db2.gz AZAVTLSJPFFPSV-GHMZBOCLSA-N 1 0 276.340 2.031 10 0 CEAERO C[C@@H]1CCC[C@H](C[NH3+])N1C(=O)Cc1ccc(F)cc1 ZINC000070152084 524376147 /nfs/dbraw/zinc/37/61/47/524376147.db2.gz VYDNSGVQDMYTJN-BXUZGUMPSA-N 1 0 264.344 2.097 10 0 CEAERO C[C@@H]1CCC[C@H](C[NH3+])N1C(=O)Cc1cccc(F)c1 ZINC000070152631 524376213 /nfs/dbraw/zinc/37/62/13/524376213.db2.gz WDSWYKHWFWKMHT-BXUZGUMPSA-N 1 0 264.344 2.097 10 0 CEAERO C[C@H]1CC[C@H](C)[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000068612160 524399778 /nfs/dbraw/zinc/39/97/78/524399778.db2.gz WNOKUVSFIMEUML-SLEUVZQESA-N 1 0 296.436 2.248 10 0 CEAERO C[C@@H]1CCN(C(=O)CCc2c[nH]c3ccccc23)C[C@H]1[NH3+] ZINC000070145509 524444570 /nfs/dbraw/zinc/44/45/70/524444570.db2.gz VGMKUDLWWMOHND-IUODEOHRSA-N 1 0 285.391 2.296 10 0 CEAERO COc1ccccc1CNC(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050939182 524461609 /nfs/dbraw/zinc/46/16/09/524461609.db2.gz TZAQTRASMVQPCJ-CQSZACIVSA-N 1 0 276.380 2.234 10 0 CEAERO Cc1cccc(C[C@H](CCS(C)(=O)=O)C[NH2+]C2CC2)c1 ZINC000052976723 524468945 /nfs/dbraw/zinc/46/89/45/524468945.db2.gz NQUQVXTYSIAYEC-HNNXBMFYSA-N 1 0 295.448 2.340 10 0 CEAERO C[C@H](C[NH2+]C(C)(C)C)COc1cccc(S(C)(=O)=O)c1 ZINC000052701492 524479089 /nfs/dbraw/zinc/47/90/89/524479089.db2.gz MSCRPDFMZOKKEI-GFCCVEGCSA-N 1 0 299.436 2.493 10 0 CEAERO Cc1cc(C)n(-c2ncc(Br)cc2C[NH3+])n1 ZINC000051490508 524500640 /nfs/dbraw/zinc/50/06/40/524500640.db2.gz WVLRTWYERKVRPZ-UHFFFAOYSA-N 1 0 281.157 2.105 10 0 CEAERO C[C@@H]1CCN(Cc2cc(Cl)cc3c2OCOC3)C[C@@H]1[NH3+] ZINC000070147054 524510232 /nfs/dbraw/zinc/51/02/32/524510232.db2.gz DWDDDLDZIVUWJT-YGRLFVJLSA-N 1 0 296.798 2.376 10 0 CEAERO COc1ccccc1N(C)C[C@@](CO)([NH2+]C(C)C)C1CC1 ZINC000070338051 524525084 /nfs/dbraw/zinc/52/50/84/524525084.db2.gz RPFNNPHMDVEJGV-KRWDZBQOSA-N 1 0 292.423 2.271 10 0 CEAERO C[C@@H]1CC[C@@H](C[NH3+])CN1C(=O)c1c(F)cccc1F ZINC000070180758 524590050 /nfs/dbraw/zinc/59/00/50/524590050.db2.gz JDXZVDBJUKCIET-ZJUUUORDSA-N 1 0 268.307 2.164 10 0 CEAERO Cc1cc(CC[NH3+])nc(C2(c3ccccc3)CC2)n1 ZINC000062782319 524637435 /nfs/dbraw/zinc/63/74/35/524637435.db2.gz PQVIFLKCMMJUOY-UHFFFAOYSA-N 1 0 253.349 2.366 10 0 CEAERO Cc1cc(CC[NH3+])ccc1N1CCSC[C@H]1C ZINC000070222421 524638882 /nfs/dbraw/zinc/63/88/82/524638882.db2.gz GEPFSALVRZMFLZ-GFCCVEGCSA-N 1 0 250.411 2.438 10 0 CEAERO C[C@H]1C[NH2+]CCN1Cc1nc(Cl)ccc1Cl ZINC000061630495 524694372 /nfs/dbraw/zinc/69/43/72/524694372.db2.gz UNRZFLBQLNZVRO-QMMMGPOBSA-N 1 0 260.168 2.182 10 0 CEAERO C[C@H]1COCCN1CC[C@H]([NH3+])c1cccc(Cl)c1 ZINC000054017729 524721314 /nfs/dbraw/zinc/72/13/14/524721314.db2.gz ZYAZHBYDTLUSPN-FZMZJTMJSA-N 1 0 268.788 2.451 10 0 CEAERO C[C@H]1COCCN1c1nc(-c2ccccc2)c(C[NH3+])s1 ZINC000054997367 524723335 /nfs/dbraw/zinc/72/33/35/524723335.db2.gz NFIHJVLKBUYRLD-NSHDSACASA-N 1 0 289.404 2.494 10 0 CEAERO C[C@H](Cc1ccco1)[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000062771236 524747240 /nfs/dbraw/zinc/74/72/40/524747240.db2.gz BMEPUEPYYKHEIF-KGLIPLIRSA-N 1 0 286.379 2.259 10 0 CEAERO C[C@H]([NH3+])[C@@H](Sc1nnc2ccccn21)c1ccncc1 ZINC000061406490 524838055 /nfs/dbraw/zinc/83/80/55/524838055.db2.gz GWQCSIIYXYIYCS-GXFFZTMASA-N 1 0 285.376 2.305 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1ccccc1F)N1CCC[C@@H]1CCCO ZINC000052757575 524839043 /nfs/dbraw/zinc/83/90/43/524839043.db2.gz ORSXLDSZVIORON-ZENOOKHLSA-N 1 0 280.387 2.451 10 0 CEAERO C[C@H]([NH3+])[C@@H]1CCCCN1c1nncc2ccccc21 ZINC000063197078 524843121 /nfs/dbraw/zinc/84/31/21/524843121.db2.gz DQPCWQWORAFTMS-FZMZJTMJSA-N 1 0 256.353 2.336 10 0 CEAERO C[C@H]([NH3+])[C@@](O)(c1cncc2ccccc21)C(F)(F)F ZINC000069267336 524846575 /nfs/dbraw/zinc/84/65/75/524846575.db2.gz FGGCFQILBHMWFV-QPUJVOFHSA-N 1 0 270.254 2.332 10 0 CEAERO C[C@H]([NH3+])[C@](O)(c1cccc(Cl)c1)C(F)(F)F ZINC000062784811 524861860 /nfs/dbraw/zinc/86/18/60/524861860.db2.gz HOGQIPOGHPFVLM-RCOVLWMOSA-N 1 0 253.651 2.437 10 0 CEAERO C[C@H]([NH3+])c1cccc(NC(=O)NCc2nccs2)c1 ZINC000049540577 524868394 /nfs/dbraw/zinc/86/83/94/524868394.db2.gz RREDGIPZGAUKCK-VIFPVBQESA-N 1 0 276.365 2.485 10 0 CEAERO C[C@H]1C[C@H](C)CN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000055123668 524877175 /nfs/dbraw/zinc/87/71/75/524877175.db2.gz WSMSNEFSEHTMEW-XUXIUFHCSA-N 1 0 252.402 2.399 10 0 CEAERO Cc1cccc([C@H](C[NH3+])Sc2n[nH]c(=O)n2C(C)C)c1 ZINC000061595064 524881191 /nfs/dbraw/zinc/88/11/91/524881191.db2.gz AJJWPQHKWXJYQA-LBPRGKRZSA-N 1 0 292.408 2.253 10 0 CEAERO C[C@@H](Cc1ccc(F)cc1)NC(=O)CCCCC[NH3+] ZINC000062033763 524891081 /nfs/dbraw/zinc/89/10/81/524891081.db2.gz ISRWZCNPFWIIGB-LBPRGKRZSA-N 1 0 266.360 2.392 10 0 CEAERO Cc1ccc(N)c(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000053002830 524903840 /nfs/dbraw/zinc/90/38/40/524903840.db2.gz WCSKMTLVQQAJLK-ZDUSSCGKSA-N 1 0 275.396 2.037 10 0 CEAERO C[C@@H]1CN(C[C@@H]2CCCO2)[C@H](c2ccccc2)C[NH2+]1 ZINC000062656395 524970570 /nfs/dbraw/zinc/97/05/70/524970570.db2.gz FSRKLQQRBGWFND-KBMXLJTQSA-N 1 0 260.381 2.200 10 0 CEAERO C[C@@H]1CN(Cc2ccc(C[NH2+]C(C)(C)C)o2)CCO1 ZINC000052382394 524995170 /nfs/dbraw/zinc/99/51/70/524995170.db2.gz RHUVIALSWDNMEH-GFCCVEGCSA-N 1 0 266.385 2.388 10 0 CEAERO C[C@@H]([NH3+])Cc1ccnc(C2(c3ccccc3)CC2)n1 ZINC000062782322 525000658 /nfs/dbraw/zinc/00/06/58/525000658.db2.gz JILSPAPULFGWDE-GFCCVEGCSA-N 1 0 253.349 2.446 10 0 CEAERO C[C@@H]([NH3+])Cc1noc(-c2ccc(Br)s2)n1 ZINC000054161408 525001994 /nfs/dbraw/zinc/00/19/94/525001994.db2.gz QLFRISVGGQJTTE-RXMQYKEDSA-N 1 0 288.170 2.450 10 0 CEAERO Cc1cc(F)ccc1[C@@H]1[C@H]([NH3+])CC(=O)N1CC(C)C ZINC000070294427 525004978 /nfs/dbraw/zinc/00/49/78/525004978.db2.gz OBCVKNDQWMECDN-UKRRQHHQSA-N 1 0 264.344 2.391 10 0 CEAERO C[C@@H]([NH3+])[C@@H](Sc1nnc2ccccn21)c1ccncc1 ZINC000061406492 525005663 /nfs/dbraw/zinc/00/56/63/525005663.db2.gz GWQCSIIYXYIYCS-ZWNOBZJWSA-N 1 0 285.376 2.305 10 0 CEAERO C[C@@H]([NH3+])[C@@](O)(c1ccc(F)cc1F)C(F)(F)F ZINC000062784606 525014249 /nfs/dbraw/zinc/01/42/49/525014249.db2.gz LQQWFUMLTZZKFW-MLUIRONXSA-N 1 0 255.186 2.062 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccsc1)N1CCC[C@@H]1CCCO ZINC000052757516 525019110 /nfs/dbraw/zinc/01/91/10/525019110.db2.gz PPBOEZNGZUTKRD-MRVWCRGKSA-N 1 0 268.426 2.373 10 0 CEAERO C[C@@H]([NH3+])c1ccc(F)cc1O[C@H](C)C(=O)N1CCCC1 ZINC000062745677 525027401 /nfs/dbraw/zinc/02/74/01/525027401.db2.gz XJANEEVZWONYRL-GHMZBOCLSA-N 1 0 280.343 2.235 10 0 CEAERO C[C@@H]1CN(Cc2csc(C[NH2+]C3CC3)n2)C[C@@H](C)O1 ZINC000052380027 525028703 /nfs/dbraw/zinc/02/87/03/525028703.db2.gz UBSASKVZTMJXFO-GHMZBOCLSA-N 1 0 281.425 2.004 10 0 CEAERO COc1ncccc1C(=O)Nc1cccc([C@H](C)[NH3+])c1 ZINC000061442712 525043092 /nfs/dbraw/zinc/04/30/92/525043092.db2.gz TVWUMQOLZJDBHQ-JTQLQIEISA-N 1 0 271.320 2.362 10 0 CEAERO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2CCCO)c(C)c1 ZINC000052762120 525054100 /nfs/dbraw/zinc/05/41/00/525054100.db2.gz MIFNCVFSFINSCO-HNNXBMFYSA-N 1 0 290.407 2.479 10 0 CEAERO COc1ncccc1CNCC[C@@H]1CCCC[N@@H+]1C ZINC000052205599 525059617 /nfs/dbraw/zinc/05/96/17/525059617.db2.gz SQSJZUCTENQNQJ-AWEZNQCLSA-N 1 0 263.385 2.054 10 0 CEAERO COc1ncccc1CNCC[C@H]1CCCC[N@@H+]1C ZINC000052205597 525060899 /nfs/dbraw/zinc/06/08/99/525060899.db2.gz SQSJZUCTENQNQJ-CQSZACIVSA-N 1 0 263.385 2.054 10 0 CEAERO C[C@@H]1CN(c2c(F)c(F)c(F)c(F)c2F)CC[NH2+]1 ZINC000052783317 525062203 /nfs/dbraw/zinc/06/22/03/525062203.db2.gz AESKTNLMIPHKTQ-RXMQYKEDSA-N 1 0 266.213 2.180 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H](C)N1C(=O)c1ccc(Cl)cc1F ZINC000069133273 525101317 /nfs/dbraw/zinc/10/13/17/525101317.db2.gz ZQDCSYHMOMQQLX-DTORHVGOSA-N 1 0 270.735 2.302 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H](C)N1C(=O)c1cc2ccccc2o1 ZINC000069132590 525101484 /nfs/dbraw/zinc/10/14/84/525101484.db2.gz SWTFXZUGYMPAMP-PHIMTYICSA-N 1 0 258.321 2.255 10 0 CEAERO Cc1ccccc1CCC(=O)N1[C@H](C)C[NH2+]C[C@H]1C ZINC000069133453 525102626 /nfs/dbraw/zinc/10/26/26/525102626.db2.gz ZHAJWJAHQGMWRD-ZIAGYGMSSA-N 1 0 260.381 2.136 10 0 CEAERO Cc1ccccc1CCCC(=O)NCCC[NH+](C)C ZINC000062066248 525106648 /nfs/dbraw/zinc/10/66/48/525106648.db2.gz YORDBWGAEFLOEW-UHFFFAOYSA-N 1 0 262.397 2.386 10 0 CEAERO CS(=O)(=O)CCC[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000063016809 525119250 /nfs/dbraw/zinc/11/92/50/525119250.db2.gz IAETVAVVQMENST-LLVKDONJSA-N 1 0 261.774 2.165 10 0 CEAERO C[C@]([NH3+])(CCCC[N@@H+]1CCCC(C)(C)C1)C(=O)[O-] ZINC000069516988 525147525 /nfs/dbraw/zinc/14/75/25/525147525.db2.gz PUBRCIPDQVZPGO-AWEZNQCLSA-N 1 0 256.390 2.081 10 0 CEAERO C[C@H](NC(=O)[C@@](C)([NH3+])c1ccccc1)c1ccncc1 ZINC000052881559 525159517 /nfs/dbraw/zinc/15/95/17/525159517.db2.gz ISOSNFNCEBXWFJ-LRDDRELGSA-N 1 0 269.348 2.133 10 0 CEAERO C[C@H](NC(=O)[C@H]1CC[C@@H](C)[NH2+]C1)C1CCCCC1 ZINC000052343587 525179038 /nfs/dbraw/zinc/17/90/38/525179038.db2.gz MZVXBBUDPMXQAV-DYEKYZERSA-N 1 0 252.402 2.460 10 0 CEAERO C[C@](O)(c1occc1Br)[C@@H]1CCC[NH2+]C1 ZINC000068981106 525187952 /nfs/dbraw/zinc/18/79/52/525187952.db2.gz XAZBSDVNDAFDCR-LDYMZIIASA-N 1 0 274.158 2.249 10 0 CEAERO Cc1ccccc1N(CCC[NH3+])c1ccnc(N(C)C)n1 ZINC000068689992 525219837 /nfs/dbraw/zinc/21/98/37/525219837.db2.gz ZJNATQQTXACVPC-UHFFFAOYSA-N 1 0 285.395 2.338 10 0 CEAERO CS(=O)(=O)[C@@H](c1ccccc1)[C@H]([NH3+])Cc1ccccc1 ZINC000054930069 525231090 /nfs/dbraw/zinc/23/10/90/525231090.db2.gz HNQWEKPDGGIRND-CVEARBPZSA-N 1 0 289.400 2.342 10 0 CEAERO Cc1ccc(NS(=O)(=O)C[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000049631757 525292882 /nfs/dbraw/zinc/29/28/82/525292882.db2.gz KAIHUVBQOVCSMT-ZDUSSCGKSA-N 1 0 282.409 2.045 10 0 CEAERO C[C@@H](NC(=O)[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000062116205 525294879 /nfs/dbraw/zinc/29/48/79/525294879.db2.gz QTSVRJUJYPBGAB-KOLCDFICSA-N 1 0 252.745 2.127 10 0 CEAERO COc1ccc([C@H](C)NC(=O)C[C@H]2CCC[NH2+]C2)cc1F ZINC000054307263 525307965 /nfs/dbraw/zinc/30/79/65/525307965.db2.gz KPTYTWMCEDJVFU-NWDGAFQWSA-N 1 0 294.370 2.401 10 0 CEAERO COc1ccc([C@H](C)[NH2+]CCN(C)C2CC2)cc1OC ZINC000061992923 525319206 /nfs/dbraw/zinc/31/92/06/525319206.db2.gz KBVBVHXMHNCGSZ-LBPRGKRZSA-N 1 0 278.396 2.449 10 0 CEAERO C[C@@H]1C[C@@H]1[NH2+]CC(=O)Nc1cccc(Br)c1 ZINC000052287807 525329025 /nfs/dbraw/zinc/32/90/25/525329025.db2.gz GNJFQJGUXBUDNU-KCJUWKMLSA-N 1 0 283.169 2.386 10 0 CEAERO COc1ccc([C@H](C[NH3+])N2CCSCC2)cc1C ZINC000050596515 525352985 /nfs/dbraw/zinc/35/29/85/525352985.db2.gz AYQIJAPOOXXFER-ZDUSSCGKSA-N 1 0 266.410 2.052 10 0 CEAERO C[C@@H]([NH2+]CCC(=O)Nc1ccc(F)cc1)[C@@H]1CCCO1 ZINC000183231591 525427316 /nfs/dbraw/zinc/42/73/16/525427316.db2.gz IZBRZWAYMPGRSR-RISCZKNCSA-N 1 0 280.343 2.311 10 0 CEAERO Cc1cc(S[C@H](c2ccccn2)[C@H](C)[NH3+])n(C)n1 ZINC000052309230 525440282 /nfs/dbraw/zinc/44/02/82/525440282.db2.gz SMLDCGQVUAKNJT-GWCFXTLKSA-N 1 0 262.382 2.304 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCCS(=O)(=O)C1)c1ccc2c(c1)CCC2 ZINC000069141023 525556236 /nfs/dbraw/zinc/55/62/36/525556236.db2.gz LJUUQNZFWCVLQF-BLLLJJGKSA-N 1 0 293.432 2.403 10 0 CEAERO Cc1cc2c(n1[C@H]1CCCNC1=O)CC(C)(C)C[C@H]2[NH3+] ZINC000050397045 525622049 /nfs/dbraw/zinc/62/20/49/525622049.db2.gz XWKAHXMLUOSPIZ-OLZOCXBDSA-N 1 0 275.396 2.220 10 0 CEAERO Cc1cc2nc([C@H](C)N3CC[NH2+]CC3)[nH]c2cc1C ZINC000051848048 525679137 /nfs/dbraw/zinc/67/91/37/525679137.db2.gz KKSYSULNZGGLDA-LBPRGKRZSA-N 1 0 258.369 2.146 10 0 CEAERO CSC[C@H](C)C[NH2+][C@@H]1COc2cc(O)ccc21 ZINC000069435922 525682640 /nfs/dbraw/zinc/68/26/40/525682640.db2.gz LCWQAPNGERIVAL-BXKDBHETSA-N 1 0 253.367 2.414 10 0 CEAERO C[C@@H]([NH2+][C@H]1CCS(=O)(=O)C1)c1cnc2ccsc2c1 ZINC000068690319 525688066 /nfs/dbraw/zinc/68/80/66/525688066.db2.gz JTGPBSWBFSOFKJ-KOLCDFICSA-N 1 0 296.417 2.134 10 0 CEAERO C[C@@](O)(C[NH2+]C1CC1)c1cccc(Br)c1 ZINC000055033178 525774775 /nfs/dbraw/zinc/77/47/75/525774775.db2.gz ARWJIVXCCGEOTJ-GFCCVEGCSA-N 1 0 270.170 2.409 10 0 CEAERO C[C@@](O)(c1cncc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000069266297 525782011 /nfs/dbraw/zinc/78/20/11/525782011.db2.gz FJVRNVMGAIKANC-BBRMVZONSA-N 1 0 256.349 2.442 10 0 CEAERO C[C@@]1(C(=O)N2CCSc3ccccc32)CC[NH2+]C1 ZINC000062900609 525788391 /nfs/dbraw/zinc/78/83/91/525788391.db2.gz FDEUNBNAJCWNFB-CQSZACIVSA-N 1 0 262.378 2.125 10 0 CEAERO Cc1c(F)cccc1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054292144 525807114 /nfs/dbraw/zinc/80/71/14/525807114.db2.gz NKSIJEMPHCNKQR-NSHDSACASA-N 1 0 250.317 2.462 10 0 CEAERO Cc1ccc([C@H](C)[NH3+])c(OC[C@H](O)COC(C)C)c1 ZINC000070099635 525883500 /nfs/dbraw/zinc/88/35/00/525883500.db2.gz USSRDCXASCYUCZ-QWHCGFSZSA-N 1 0 267.369 2.179 10 0 CEAERO COc1cccc(CC[NH3+])c1OCc1nc(C(C)C)no1 ZINC000049338585 525892125 /nfs/dbraw/zinc/89/21/25/525892125.db2.gz PAAQQUSAXDSECT-UHFFFAOYSA-N 1 0 291.351 2.282 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@H](C)C2C[NH2+]C2)c(C)c1 ZINC000164117701 525906458 /nfs/dbraw/zinc/90/64/58/525906458.db2.gz VOYLJORPSNMGBO-OLZOCXBDSA-N 1 0 260.381 2.336 10 0 CEAERO C[C@H](O[C@@H]1CC[C@@H](C)[NH2+]C1)C(=O)Nc1ccccc1 ZINC000050211623 525923547 /nfs/dbraw/zinc/92/35/47/525923547.db2.gz RSHNHMDHYBKDGC-MBNYWOFBSA-N 1 0 262.353 2.171 10 0 CEAERO Cc1ccc([C@H]([C@H](C)[NH3+])N2CCn3ccnc3C2)cc1 ZINC000062245618 525981316 /nfs/dbraw/zinc/98/13/16/525981316.db2.gz MNNWWPJFXMJNGY-BBRMVZONSA-N 1 0 270.380 2.096 10 0 CEAERO CC(C)c1ncc(N2C[C@@H](C)S[C@H](C)C2)c(C[NH3+])n1 ZINC000070386022 534897965 /nfs/dbraw/zinc/89/79/65/534897965.db2.gz BGAYVBPAQFUZLI-GHMZBOCLSA-N 1 0 280.441 2.389 10 0 CEAERO Cc1ccc(C(N)=[NH2+])c(N(C)Cc2cccnc2)c1 ZINC000051579234 526010801 /nfs/dbraw/zinc/01/08/01/526010801.db2.gz YVMMNTFRVMQRPU-UHFFFAOYSA-N 1 0 254.337 2.310 10 0 CEAERO Cc1ccc(C(=O)CN2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061645630 526046882 /nfs/dbraw/zinc/04/68/82/526046882.db2.gz DQCZDEWQGHSWLR-OAHLLOKOSA-N 1 0 260.381 2.204 10 0 CEAERO Cc1ccc(C(=O)CN2CCC[C@@H]2C[NH+](C)C)s1 ZINC000061645600 526046975 /nfs/dbraw/zinc/04/69/75/526046975.db2.gz DKROUNVWCUEIDU-GFCCVEGCSA-N 1 0 266.410 2.265 10 0 CEAERO COc1cccc(N(C)C(=O)[C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000049973056 526129250 /nfs/dbraw/zinc/12/92/50/526129250.db2.gz DJZOZRFBVXEMAF-VXGBXAGGSA-N 1 0 262.353 2.046 10 0 CEAERO COc1cccc(N(C)c2nc(C)ccc2C(N)=[NH2+])c1 ZINC000049969995 526131274 /nfs/dbraw/zinc/13/12/74/526131274.db2.gz JPSNXZTVKWOMNE-UHFFFAOYSA-N 1 0 270.336 2.451 10 0 CEAERO COc1cccc(N(C)Cc2csc(C[NH3+])n2)c1 ZINC000052516738 526131949 /nfs/dbraw/zinc/13/19/49/526131949.db2.gz ILAZWXOMNPKALL-UHFFFAOYSA-N 1 0 263.366 2.247 10 0 CEAERO Cc1cc(Br)ccc1C(=O)NCC[NH2+]C(C)C ZINC000054264557 526162715 /nfs/dbraw/zinc/16/27/15/526162715.db2.gz BMGYMXIKQRGMKH-UHFFFAOYSA-N 1 0 299.212 2.485 10 0 CEAERO C[C@H](c1nc(-c2cnccn2)no1)[C@H]([NH3+])c1ccccc1 ZINC000157958903 526172517 /nfs/dbraw/zinc/17/25/17/526172517.db2.gz POVYHYCDCDHRDU-GWCFXTLKSA-N 1 0 281.319 2.330 10 0 CEAERO Cc1cc(C(=O)C[NH2+]CCN(C)C)c(C)n1C(C)(C)C ZINC000062654875 526208389 /nfs/dbraw/zinc/20/83/89/526208389.db2.gz SVHUONOCKNZWKG-UHFFFAOYSA-N 1 0 279.428 2.194 10 0 CEAERO C[C@@H]1CC=CC[C@@H]1COCC[NH2+]C1CCOCC1 ZINC000062768041 526237047 /nfs/dbraw/zinc/23/70/47/526237047.db2.gz JAUSTVKOOOZBAM-ZIAGYGMSSA-N 1 0 253.386 2.374 10 0 CEAERO Cc1ccc2n1CCN(C(=O)CCC1CC[NH2+]CC1)[C@H]2C ZINC000050945904 526240207 /nfs/dbraw/zinc/24/02/07/526240207.db2.gz ZZRCIJGBOLECKU-AWEZNQCLSA-N 1 0 289.423 2.480 10 0 CEAERO C[C@H]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055089625 526260578 /nfs/dbraw/zinc/26/05/78/526260578.db2.gz HMDJRBJJUMYFHO-FQUUOJAGSA-N 1 0 252.402 2.446 10 0 CEAERO O[C@H](C[NH2+]CCn1cccn1)c1ccc2ccccc2c1 ZINC000049076499 526276737 /nfs/dbraw/zinc/27/67/37/526276737.db2.gz LSQTUYGMIBMXSB-QGZVFWFLSA-N 1 0 281.359 2.360 10 0 CEAERO O[C@H](C[NH2+]Cc1cccc2ccccc21)Cn1cccn1 ZINC000052061535 526278911 /nfs/dbraw/zinc/27/89/11/526278911.db2.gz ABXYRQLIVRTEHZ-MRXNPFEDSA-N 1 0 281.359 2.187 10 0 CEAERO O[C@H]1CCCCC[C@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000061674825 526302459 /nfs/dbraw/zinc/30/24/59/526302459.db2.gz JJFWFLUQRSVOAF-OLZOCXBDSA-N 1 0 263.337 2.199 10 0 CEAERO Cc1nn([C@@H](C[NH3+])c2ccncc2)c(C)c1Br ZINC000050589231 526302536 /nfs/dbraw/zinc/30/25/36/526302536.db2.gz WDITUDIPIQNUJX-NSHDSACASA-N 1 0 295.184 2.206 10 0 CEAERO Cc1csc(CN2[C@@H]3CCC[C@H]2CC([NH3+])C3)n1 ZINC000054602613 526345879 /nfs/dbraw/zinc/34/58/79/526345879.db2.gz DGAFTDFHDLJUFQ-YOGCLGLASA-N 1 0 251.399 2.296 10 0 CEAERO Cc1csc(SC[C@]([NH2+]C(C)C)(C(N)=O)C2CC2)n1 ZINC000069187859 526397775 /nfs/dbraw/zinc/39/77/75/526397775.db2.gz UWIDEXQAZBNTJL-CYBMUJFWSA-N 1 0 299.465 2.176 10 0 CEAERO O=C(OCc1cccc(Br)c1)C1CC[NH2+]CC1 ZINC000049903624 526426170 /nfs/dbraw/zinc/42/61/70/526426170.db2.gz ORQMVBUHOGGXFG-UHFFFAOYSA-N 1 0 298.180 2.492 10 0 CEAERO Cc1nnc(Sc2ccc(Cl)cc2C(N)=[NH2+])[nH]1 ZINC000052860459 526534083 /nfs/dbraw/zinc/53/40/83/526534083.db2.gz IFDFBRFSRJTEQG-UHFFFAOYSA-N 1 0 267.745 2.202 10 0 CEAERO O=C(CC[C@@H]1CCCCO1)N1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000069388528 526549262 /nfs/dbraw/zinc/54/92/62/526549262.db2.gz MDWRLZVRPHQINU-OWCLPIDISA-N 1 0 294.439 2.326 10 0 CEAERO O=C(CC[C@@H]1CCCCO1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000069399142 526549272 /nfs/dbraw/zinc/54/92/72/526549272.db2.gz NEXXFKABKMPEOH-JYJNAYRXSA-N 1 0 294.439 2.469 10 0 CEAERO c1csc(C[NH2+]CCN2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000053425521 526581470 /nfs/dbraw/zinc/58/14/70/526581470.db2.gz PWDYQWBUCZJCMF-UONOGXRCSA-N 1 0 266.410 2.091 10 0 CEAERO O=C(CCc1ccccc1)N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051358654 526607350 /nfs/dbraw/zinc/60/73/50/526607350.db2.gz IHKDSGPMFAPSKQ-JKSUJKDBSA-N 1 0 272.392 2.362 10 0 CEAERO Cc1oc(C[NH3+])cc1COc1cccc(S(C)(=O)=O)c1 ZINC000052701565 526772212 /nfs/dbraw/zinc/77/22/12/526772212.db2.gz ZLSNOUFWOWTYKR-UHFFFAOYSA-N 1 0 295.360 2.029 10 0 CEAERO NC(=[NH2+])c1cc(N2CC[C@@H]3CCCC[C@@H]3C2)ccn1 ZINC000061814132 526821163 /nfs/dbraw/zinc/82/11/63/526821163.db2.gz BORHCQQOVYTFAG-NWDGAFQWSA-N 1 0 258.369 2.382 10 0 CEAERO Cc1nc(CNC2CC(C)(C)[NH2+]C(C)(C)C2)c[nH]1 ZINC000054798479 526886656 /nfs/dbraw/zinc/88/66/56/526886656.db2.gz CFJXXFMJYPVDAN-UHFFFAOYSA-N 1 0 250.390 2.117 10 0 CEAERO Cc1sc2ncnc(OC[C@@H]3CC[NH2+]C3)c2c1C ZINC000051889186 526902177 /nfs/dbraw/zinc/90/21/77/526902177.db2.gz IDFMBRINKHAXGS-SNVBAGLBSA-N 1 0 263.366 2.296 10 0 CEAERO Cc1nc(C[C@H]2CCCO2)nc(C)c1C[NH2+]C1CC1 ZINC000054854385 526922686 /nfs/dbraw/zinc/92/26/86/526922686.db2.gz PLGLEJZVEQJGIX-CYBMUJFWSA-N 1 0 261.369 2.067 10 0 CEAERO NC(=O)[C@@H]([NH2+]C1CCCC1)c1cccc2cccnc21 ZINC000069503136 526956922 /nfs/dbraw/zinc/95/69/22/526956922.db2.gz OEYCZNJJRXGDHJ-HNNXBMFYSA-N 1 0 269.348 2.293 10 0 CEAERO Cc1nc(N2CC[NH+](CC(C)C)CC2)sc1[C@H](C)O ZINC000055076448 526969597 /nfs/dbraw/zinc/96/95/97/526969597.db2.gz GTNXOMUWNIEPQN-LBPRGKRZSA-N 1 0 283.441 2.283 10 0 CEAERO NC(=O)[C@@](CSCc1ccccc1)([NH2+]C1CC1)C1CC1 ZINC000069185912 526989385 /nfs/dbraw/zinc/98/93/85/526989385.db2.gz KGDIBPMWEFDGBU-INIZCTEOSA-N 1 0 290.432 2.306 10 0 CEAERO O=C(N[C@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cc(F)c(F)c(F)c1 ZINC000063004865 527068500 /nfs/dbraw/zinc/06/85/00/527068500.db2.gz SJHWRNSZEZKQNK-GDPRMGEGSA-N 1 0 298.308 2.222 10 0 CEAERO [NH3+]CCc1ccnc(-c2cccc(Br)c2)n1 ZINC000054833672 527197943 /nfs/dbraw/zinc/19/79/43/527197943.db2.gz WZFXEYDFPDILFZ-UHFFFAOYSA-N 1 0 278.153 2.407 10 0 CEAERO [NH3+]CCc1cnc(Cc2c(F)cccc2Cl)nc1 ZINC000062353191 527197967 /nfs/dbraw/zinc/19/79/67/527197967.db2.gz KRXRCUZLGQEROI-UHFFFAOYSA-N 1 0 265.719 2.361 10 0 CEAERO [NH3+]CCc1cnn(Cc2ccc(Br)cc2F)c1 ZINC000054740860 527198110 /nfs/dbraw/zinc/19/81/10/527198110.db2.gz ZAYCURFKTAYHAJ-UHFFFAOYSA-N 1 0 298.159 2.334 10 0 CEAERO O=C(Cc1c(F)cccc1Cl)N[C@H]1CCCC[NH2+]C1 ZINC000070120339 527198984 /nfs/dbraw/zinc/19/89/84/527198984.db2.gz ZKLJZBJXJPZRKZ-JTQLQIEISA-N 1 0 284.762 2.280 10 0 CEAERO [NH3+]C[C@@H](C(=O)NC[C@H]1CC=CCC1)c1ccccc1 ZINC000061613184 527201099 /nfs/dbraw/zinc/20/10/99/527201099.db2.gz XWQNXPHLWODXLY-DZGCQCFKSA-N 1 0 258.365 2.201 10 0 CEAERO [NH3+]C[C@@H](c1cccc2cccnc21)N1CCSCC1 ZINC000069502293 527207646 /nfs/dbraw/zinc/20/76/46/527207646.db2.gz SLWSPRGOSPXDKO-AWEZNQCLSA-N 1 0 273.405 2.283 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1C(=O)C1(c2ccccc2)CC1 ZINC000061618366 527207857 /nfs/dbraw/zinc/20/78/57/527207857.db2.gz XAKNMUVQZWLIBV-AWEZNQCLSA-N 1 0 258.365 2.058 10 0 CEAERO Cc1nc2sccn2c1C[NH2+]CCc1ccncc1 ZINC000048261927 527209550 /nfs/dbraw/zinc/20/95/50/527209550.db2.gz SUWJHMOMJYLODX-UHFFFAOYSA-N 1 0 272.377 2.432 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H](C(=O)NCCC2CCCC2)C1 ZINC000055148107 527235847 /nfs/dbraw/zinc/23/58/47/527235847.db2.gz KAWKJVIAVUTKHC-UONOGXRCSA-N 1 0 252.402 2.448 10 0 CEAERO [NH3+]Cc1c(-n2ncc3ccccc32)nc2sccn12 ZINC000050526869 527243732 /nfs/dbraw/zinc/24/37/32/527243732.db2.gz OSFRLUPXDOWATE-UHFFFAOYSA-N 1 0 269.333 2.193 10 0 CEAERO [NH3+]Cc1ccc(Cl)cc1N1CCC[C@@H](CO)C1 ZINC000062786852 527252899 /nfs/dbraw/zinc/25/28/99/527252899.db2.gz JFYARUDBQWDYNO-SNVBAGLBSA-N 1 0 254.761 2.007 10 0 CEAERO [NH3+]Cc1ccc(F)c(COCC2CCOCC2)c1 ZINC000052151336 527254594 /nfs/dbraw/zinc/25/45/94/527254594.db2.gz KLFARYYUBBSMHF-UHFFFAOYSA-N 1 0 253.317 2.228 10 0 CEAERO O=C(Cc1ccccc1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063189242 527275769 /nfs/dbraw/zinc/27/57/69/527275769.db2.gz DHTHLSNZBSNRRI-HOTGVXAUSA-N 1 0 272.392 2.362 10 0 CEAERO Cn1cc([C@H](C[NH3+])N2CCC3(CCCCC3)CC2)cn1 ZINC000061818017 527312128 /nfs/dbraw/zinc/31/21/28/527312128.db2.gz MWGHQWQDQKWKTC-HNNXBMFYSA-N 1 0 276.428 2.466 10 0 CEAERO [NH3+][C@@H](c1ccccc1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000054681915 527339144 /nfs/dbraw/zinc/33/91/44/527339144.db2.gz BWRHOZKZKTVQEU-LSDHHAIUSA-N 1 0 257.289 2.149 10 0 CEAERO [NH3+][C@@H]1CCC2(C[C@H]1OCC1CCCCC1)OCCO2 ZINC000052152270 527339957 /nfs/dbraw/zinc/33/99/57/527339957.db2.gz OWCIMMDRSBYKDW-ZIAGYGMSSA-N 1 0 269.385 2.206 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1NC(=O)c1ccccc1Br ZINC000063173841 527352814 /nfs/dbraw/zinc/35/28/14/527352814.db2.gz QFCZAOBDQCUUMZ-MNOVXSKESA-N 1 0 283.169 2.059 10 0 CEAERO [NH3+][C@H](Cc1ccccc1)[C@H](O)c1ccc2c(c1)OCCO2 ZINC000054685709 527389860 /nfs/dbraw/zinc/38/98/60/527389860.db2.gz XACWOWNLTHNERY-RHSMWYFYSA-N 1 0 285.343 2.061 10 0 CEAERO [NH3+][C@H]1CCCN(c2cc(F)ccc2OC2CCOCC2)C1 ZINC000069310975 527401588 /nfs/dbraw/zinc/40/15/88/527401588.db2.gz CXGYBJMHGCVTFM-ZDUSSCGKSA-N 1 0 294.370 2.311 10 0 CEAERO OCC1(C[N@H+](Cc2ccco2)C2CC2)CCOCC1 ZINC000052199884 527522625 /nfs/dbraw/zinc/52/26/25/527522625.db2.gz NGJDSFCFXIYKQY-UHFFFAOYSA-N 1 0 265.353 2.033 10 0 CEAERO OCCC[C@@H]1CCC[N@@H+]1Cc1cn2ccccc2n1 ZINC000052761825 527545159 /nfs/dbraw/zinc/54/51/59/527545159.db2.gz HFOOATMEUPJMBK-AWEZNQCLSA-N 1 0 259.353 2.071 10 0 CEAERO Cn1nccc1[C@@H]([NH3+])c1ccccc1Br ZINC000069021326 527623508 /nfs/dbraw/zinc/62/35/08/527623508.db2.gz AWWDHSLVWSWLDI-NSHDSACASA-N 1 0 266.142 2.231 10 0 CEAERO FC(F)(F)CN1CCC[NH2+][C@H](Cc2ccccc2)C1 ZINC000062666221 527667978 /nfs/dbraw/zinc/66/79/78/527667978.db2.gz MFACMIHUORJCCC-CYBMUJFWSA-N 1 0 272.314 2.455 10 0 CEAERO FC(F)(F)CN1CC[NH2+]C[C@@H]1Cc1ccccc1 ZINC000062626619 527668090 /nfs/dbraw/zinc/66/80/90/527668090.db2.gz CDTDRVPZBADFCO-LBPRGKRZSA-N 1 0 258.287 2.065 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCOC(C)C ZINC000173322530 529303914 /nfs/dbraw/zinc/30/39/14/529303914.db2.gz BXYZAWGIGWDLFE-LSDHHAIUSA-N 1 0 297.443 2.070 10 0 CEAERO CC(C)C[NH2+]Cc1cncc(N2CCSC[C@@H]2C)n1 ZINC000091421830 535169562 /nfs/dbraw/zinc/16/95/62/535169562.db2.gz LLCQUIFTANXQFH-LBPRGKRZSA-N 1 0 280.441 2.164 10 0 CEAERO CC[NH2+][C@H](CN1CCN(c2ccccn2)CC1)C(C)(C)C ZINC000043817363 535515838 /nfs/dbraw/zinc/51/58/38/535515838.db2.gz JAVYCDBJEGXCRR-OAHLLOKOSA-N 1 0 290.455 2.228 10 0 CEAERO CCC[C@@](C)([NH3+])C(=O)N(C)Cc1cccc(N(C)C)c1 ZINC000262571649 535521694 /nfs/dbraw/zinc/52/16/94/535521694.db2.gz NAGRJPXVRAUNAS-MRXNPFEDSA-N 1 0 277.412 2.229 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(c2nc(Cl)ncc2C)CC1 ZINC000091658967 535565842 /nfs/dbraw/zinc/56/58/42/535565842.db2.gz MYYOTJXANLCCMP-LLVKDONJSA-N 1 0 268.792 2.359 10 0 CEAERO CCCn1ncnc1CN1CC[C@H]([NH2+]C)c2ccccc21 ZINC000088584873 535646647 /nfs/dbraw/zinc/64/66/47/535646647.db2.gz YTSBVBPIGRFYDI-AWEZNQCLSA-N 1 0 285.395 2.359 10 0 CEAERO C[NH2+][C@@H](C)[C@@H]1CCCN(c2ncnc3ccccc32)C1 ZINC000111716908 536351044 /nfs/dbraw/zinc/35/10/44/536351044.db2.gz YDMKMKAOLRINIX-QWHCGFSZSA-N 1 0 270.380 2.454 10 0 CEAERO C[NH2+][C@H](C)c1c(F)cccc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090906364 536406685 /nfs/dbraw/zinc/40/66/85/536406685.db2.gz VJVQNOZPDRMHEO-UTUOFQBUSA-N 1 0 264.344 2.474 10 0 CEAERO COC(=O)c1ccc(N2CCC([C@H](C)[NH3+])CC2)c(F)c1F ZINC000094272096 536731012 /nfs/dbraw/zinc/73/10/12/536731012.db2.gz PTNOISDEXBSLME-VIFPVBQESA-N 1 0 298.333 2.315 10 0 CEAERO COc1cccc2c1N(C(=O)CC1([NH3+])CCC1)CCC2 ZINC000094294787 536957443 /nfs/dbraw/zinc/95/74/43/536957443.db2.gz OHXLWHOACUSFSJ-UHFFFAOYSA-N 1 0 274.364 2.246 10 0 CEAERO COc1cccc(N2CCN(CC(C)(C)[C@H](C)[NH3+])CC2)c1 ZINC000091402715 537122898 /nfs/dbraw/zinc/12/28/98/537122898.db2.gz AZONDKQRRCTWOP-AWEZNQCLSA-N 1 0 291.439 2.191 10 0 CEAERO [NH3+]C[C@H]1CCN1Cc1cc(Br)ccc1F ZINC000757140873 574510212 /nfs/dbraw/zinc/51/02/12/574510212.db2.gz BPDMZRJBBOYCKQ-SNVBAGLBSA-N 1 0 273.149 2.121 10 0 CEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1cc(C)cc(F)c1 ZINC000757184139 574511635 /nfs/dbraw/zinc/51/16/35/574511635.db2.gz JFEBBEZIBJXDEZ-QWHCGFSZSA-N 1 0 251.301 2.000 10 0 CEAERO C[C@@H](N1CCC[C@@]12C[NH2+]C[C@@H](C)C2)C(F)(F)F ZINC000757124420 574825748 /nfs/dbraw/zinc/82/57/48/574825748.db2.gz CFSQJXNUWOJPIJ-HBNTYKKESA-N 1 0 250.308 2.401 10 0 CEAERO C[C@@H](N1CCC[C@@]12C[NH+]1CCC2CC1)C(F)(F)F ZINC000757129574 574826012 /nfs/dbraw/zinc/82/60/12/574826012.db2.gz LVRYKXMKZVVWEK-PWSUYJOCSA-N 1 0 262.319 2.497 10 0 CEAERO CC1(C)CCC(C[NH2+][C@@H]2CCCN(CCO)C2)CC1 ZINC000384720947 574842271 /nfs/dbraw/zinc/84/22/71/574842271.db2.gz NXTBGKVIUFUKPK-OAHLLOKOSA-N 1 0 268.445 2.249 10 0 CEAERO C[C@H](C(=O)N[C@@]12CC[NH2+][C@@H]1CCCC2)C(C)(C)C ZINC000725272010 567924912 /nfs/dbraw/zinc/92/49/12/567924912.db2.gz LRUTWNQZCCLHOA-JMSVASOKSA-N 1 0 252.402 2.460 10 0 CEAERO Brc1ccc(-c2cnnn2[C@H]2CC[NH2+]C2)cc1 ZINC000259526155 570267703 /nfs/dbraw/zinc/26/77/03/570267703.db2.gz VQRUISUDRJVRJD-NSHDSACASA-N 1 0 293.168 2.242 10 0 CEAERO C[C@@H]([NH3+])Cc1nc(CSc2ccc(F)cc2)no1 ZINC000097329091 622578361 /nfs/dbraw/zinc/57/83/61/622578361.db2.gz GBJHMDQTKGFXJE-MRVPVSSYSA-N 1 0 267.329 2.391 10 0 CEAERO CC(C)(C)OC(=O)N1C[C@@]2(C[NH3+])C[C@@]2(C(F)(F)F)C1 ZINC000757122008 622769811 /nfs/dbraw/zinc/76/98/11/622769811.db2.gz MWAGAHJGQJBCDH-WDEREUQCSA-N 1 0 280.290 2.135 10 0 CEAERO COC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc(C[NH3+])nc1 ZINC000757133074 622807122 /nfs/dbraw/zinc/80/71/22/622807122.db2.gz FWFRALXOLAKQDX-LLVKDONJSA-N 1 0 295.383 2.317 10 0 CEAERO C[C@@H]([NH3+])CC(=O)NCc1cccc(-c2ccccn2)c1 ZINC000261895853 623572442 /nfs/dbraw/zinc/57/24/42/623572442.db2.gz XTIYPAJFSKTUDO-GFCCVEGCSA-N 1 0 269.348 2.102 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CSC(F)(F)F)C1 ZINC000247444188 623949690 /nfs/dbraw/zinc/94/96/90/623949690.db2.gz SFKYZFDNNSFIPV-RKDXNWHRSA-N 1 0 284.347 2.084 10 0 CEAERO C[C@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2)C[C@@H]1[NH3+] ZINC000235655703 625689067 /nfs/dbraw/zinc/68/90/67/625689067.db2.gz JXTKZTQPTJUAAF-CPCISQLKSA-N 1 0 273.163 2.413 10 0 CEAERO C[NH2+][C@H](C)c1nc(-c2cc(OC)cc(OC)c2)no1 ZINC000234432973 624027545 /nfs/dbraw/zinc/02/75/45/624027545.db2.gz PGYOYSWPUKHRDW-MRVPVSSYSA-N 1 0 263.297 2.034 10 0 CEAERO C[C@H]1CN(C(=O)c2cc(F)c(Cl)cc2F)C[C@H]1[NH3+] ZINC000235660279 625696697 /nfs/dbraw/zinc/69/66/97/625696697.db2.gz FKOPYDWLRHNMIJ-UPONEAKYSA-N 1 0 274.698 2.037 10 0 CEAERO C[C@H]1CN(Cc2ncc(C(C)(C)C)s2)C[C@@H]1[NH3+] ZINC000261985363 624080847 /nfs/dbraw/zinc/08/08/47/624080847.db2.gz 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C[NH2+][C@@H](C)CNC(=O)c1cccc(-c2cscn2)c1 ZINC000261750627 629181301 /nfs/dbraw/zinc/18/13/01/629181301.db2.gz NHBYNYOTYPOEIF-JTQLQIEISA-N 1 0 275.377 2.148 10 0 CEAERO C[C@@H](C[NH3+])c1noc(Cc2ccc(Cl)cc2)n1 ZINC000054158859 629263536 /nfs/dbraw/zinc/26/35/36/629263536.db2.gz MUJXDHJRPQOZBC-QMMMGPOBSA-N 1 0 251.717 2.376 10 0 CEAERO C[C@H](C[NH3+])c1noc(Cc2ccc(Cl)cc2)n1 ZINC000054158860 629263706 /nfs/dbraw/zinc/26/37/06/629263706.db2.gz MUJXDHJRPQOZBC-MRVPVSSYSA-N 1 0 251.717 2.376 10 0 CEAERO Cc1cc(C)c(C)c(S(=O)(=O)N2CC[C@H]([NH3+])[C@H]2C)c1C ZINC000261861600 629286454 /nfs/dbraw/zinc/28/64/54/629286454.db2.gz XWPIDIFNNYWPAU-KGLIPLIRSA-N 1 0 296.436 2.030 10 0 CEAERO Cc1ccc(OC[C@@H](C)NC(=O)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000054308602 631154005 /nfs/dbraw/zinc/15/40/05/631154005.db2.gz IADXIISELPLEOO-CABCVRRESA-N 1 0 290.407 2.268 10 0 CEAERO CC1CCN(C(=[NH2+])NC[C@@H]2CC23CCOCC3)CC1 ZINC000262694061 631198112 /nfs/dbraw/zinc/19/81/12/631198112.db2.gz CYXPRMRWGZZAOZ-ZDUSSCGKSA-N 1 0 265.401 2.059 10 0 CEAERO CC(C)(C)OC(=O)Nc1cccc2c1cnn2CC[NH3+] ZINC000757137108 631822262 /nfs/dbraw/zinc/82/22/62/631822262.db2.gz VVJYPFIKJCVKLI-UHFFFAOYSA-N 1 0 276.340 2.342 10 0 CEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(N(CC)CC)cc1 ZINC000757185066 631830070 /nfs/dbraw/zinc/83/00/70/631830070.db2.gz QCQQZAFIFHRAGE-HZPDHXFCSA-N 1 0 290.407 2.399 10 0 CEAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccccc1O ZINC000757184599 631830113 /nfs/dbraw/zinc/83/01/13/631830113.db2.gz LSKSAVZFFCVDLN-NWDGAFQWSA-N 1 0 263.337 2.037 10 0 CEAERO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(Br)cc1C ZINC000757183510 631830123 /nfs/dbraw/zinc/83/01/23/631830123.db2.gz FELCAFBGMSIMGQ-NEPJUHHUSA-N 1 0 298.180 2.234 10 0 CEAERO Cc1sc([C@@H]2[NH2+][C@@H](C)CC[C@H]2C[NH3+])cc1C(=O)[O-] ZINC000757238177 631838985 /nfs/dbraw/zinc/83/89/85/631838985.db2.gz RNKSFGIKYZDPHW-QOSJWCAFSA-N 1 0 268.382 2.143 10 0 CEAERO Cc1ccc(-c2ccc(C(N)=O)cc2)cc1CC[NH3+] ZINC000757572900 631913800 /nfs/dbraw/zinc/91/38/00/631913800.db2.gz 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263.337 2.251 10 0 CEAERO CCNc1ccc(C)cc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000062984815 639802707 /nfs/dbraw/zinc/80/27/07/639802707.db2.gz STRGFUCCXJUFSB-CYBMUJFWSA-N 1 0 275.396 2.203 10 0 CEAERO CC(C)Cc1nnc(NC(=O)[C@@H]2CC[NH2+][C@H](C)C2)s1 ZINC000232648382 639942652 /nfs/dbraw/zinc/94/26/52/639942652.db2.gz BKCZMNLQSAJKMW-NXEZZACHSA-N 1 0 282.413 2.063 10 0 CEAERO CC(C)[C@H]([NH3+])Cc1nc(COCC(F)(F)C(F)F)no1 ZINC000232724986 640009649 /nfs/dbraw/zinc/00/96/49/640009649.db2.gz XPLKRUQSCKOEES-SSDOTTSWSA-N 1 0 299.268 2.012 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@@H]1C(=O)Nc1nc2c(s1)CCC2 ZINC000089396614 640384740 /nfs/dbraw/zinc/38/47/40/640384740.db2.gz VNVRGJCLYHDPIO-ZJUUUORDSA-N 1 0 279.409 2.335 10 0 CEAERO CCCCC[C@@H](C)NC(=O)CN(C)C[C@@H]1CCC[N@@H+]1CC ZINC000175333588 641322477 /nfs/dbraw/zinc/32/24/77/641322477.db2.gz NRDICQUVEYFJLA-CVEARBPZSA-N 1 0 297.487 2.488 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C1(c2ccc(F)cc2)CC1 ZINC000238020991 641418865 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O=C(CCn1cccn1)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000117101440 645669585 /nfs/dbraw/zinc/66/95/85/645669585.db2.gz KAXDWBJCDLTVDU-INIZCTEOSA-N 1 0 299.374 2.091 10 0 CEAERO CC[C@@H]1CC(=O)N(CN2CCC[C@H](n3cc(C)cn3)C2)C1 ZINC000119344698 646677567 /nfs/dbraw/zinc/67/75/67/646677567.db2.gz SJIRLORIGHMUOW-CABCVRRESA-N 1 0 290.411 2.044 10 0 CEAERO CCC([NH3+])(CC)CNc1ccc(S(=O)(=O)CC)cc1 ZINC000130094227 652215379 /nfs/dbraw/zinc/21/53/79/652215379.db2.gz KAQGOVZWLSUGCU-UHFFFAOYSA-N 1 0 284.425 2.410 10 0 CEAERO Cc1cc(C)nc(N2CCC([NH2+]CC3CC3)CC2)n1 ZINC000130256522 652234051 /nfs/dbraw/zinc/23/40/51/652234051.db2.gz APZZMXLKXVBRAW-UHFFFAOYSA-N 1 0 260.385 2.062 10 0 CEAERO CCCC[C@H](C[NH3+])NS(=O)(=O)/C=C/c1ccccc1 ZINC000130479209 652267767 /nfs/dbraw/zinc/26/77/67/652267767.db2.gz UFZCSTKLPAUGFA-PLSXKVAHSA-N 1 0 282.409 2.094 10 0 CEAERO CCCCNC(=S)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000134755773 652871178 /nfs/dbraw/zinc/87/11/78/652871178.db2.gz LYLPXKCDABATII-STQMWFEESA-N 1 0 269.458 2.220 10 0 CEAERO CC[NH+](CC)C1CCN(c2cc(Cl)nc(N)n2)CC1 ZINC000052446044 721999650 /nfs/dbraw/zinc/99/96/50/721999650.db2.gz GOGLQARYMCTOMU-UHFFFAOYSA-N 1 0 283.807 2.023 10 0 CEAERO [NH3+]CCC(=O)NC1(c2ccccc2)Cc2ccccc2C1 ZINC000082256296 177929912 /nfs/dbraw/zinc/92/99/12/177929912.db2.gz VNAWTJQLRJKKFE-UHFFFAOYSA-N 1 0 280.371 2.146 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(OC)nc2C)C1 ZINC000124405977 187136245 /nfs/dbraw/zinc/13/62/45/187136245.db2.gz MVSHJWPPHDLUKO-LBPRGKRZSA-N 1 0 292.383 2.004 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCS[C@@H](C)C1 ZINC000124420115 187136718 /nfs/dbraw/zinc/13/67/18/187136718.db2.gz RNPPDNMFHYIRQO-UONOGXRCSA-N 1 0 299.484 2.254 10 0 CEAERO Cn1nc2c(c1OCc1ccc(Cl)cc1)CC[NH2+]C2 ZINC000095627258 185016870 /nfs/dbraw/zinc/01/68/70/185016870.db2.gz BNEVTTRNZVGINI-UHFFFAOYSA-N 1 0 277.755 2.298 10 0 CEAERO CC[NH2+]Cc1sc(-c2ccccn2)nc1COC ZINC000082445392 178022554 /nfs/dbraw/zinc/02/25/54/178022554.db2.gz JKOUFKHQPCMSBY-UHFFFAOYSA-N 1 0 263.366 2.461 10 0 CEAERO [NH3+]C[C@@H](O[C@H]1CCOC1)c1cc(Br)cs1 ZINC000082453058 178032117 /nfs/dbraw/zinc/03/21/17/178032117.db2.gz OLJGPGRKRSTFKY-DTWKUNHWSA-N 1 0 292.198 2.316 10 0 CEAERO CCO[C@H]1C[C@H]([N@H+](C)CC(=O)NCC(C)C)C12CCCC2 ZINC000121218025 365536496 /nfs/dbraw/zinc/53/64/96/365536496.db2.gz MNTXCQQSRYRAGD-GJZGRUSLSA-N 1 0 296.455 2.428 10 0 CEAERO FC1(F)CCC[C@H]1C[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000336265861 365540204 /nfs/dbraw/zinc/54/02/04/365540204.db2.gz ZLKAVAOTLWUUKL-QWHCGFSZSA-N 1 0 275.339 2.303 10 0 CEAERO COCCN(C)c1cc(Br)ccc1CC[NH3+] ZINC000082611415 178126083 /nfs/dbraw/zinc/12/60/83/178126083.db2.gz SILJCKSZHWLEKK-UHFFFAOYSA-N 1 0 287.201 2.033 10 0 CEAERO C[NH2+]Cc1c(Cl)cccc1Sc1nc[nH]n1 ZINC000082615990 178126362 /nfs/dbraw/zinc/12/63/62/178126362.db2.gz VEQDOTQOZKPHOQ-UHFFFAOYSA-N 1 0 254.746 2.329 10 0 CEAERO [NH3+]CCc1nnc(-c2sccc2Br)o1 ZINC000082614438 178126723 /nfs/dbraw/zinc/12/67/23/178126723.db2.gz LVKYJTFIQJKZAI-UHFFFAOYSA-N 1 0 274.143 2.062 10 0 CEAERO C[NH+](C)CCn1ccc2ccc(Br)nc21 ZINC000095937099 185034115 /nfs/dbraw/zinc/03/41/15/185034115.db2.gz ZEQUJAVZNUVOKM-UHFFFAOYSA-N 1 0 268.158 2.360 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC[C@@H](C)C1 ZINC000121653284 365598956 /nfs/dbraw/zinc/59/89/56/365598956.db2.gz SSPOUWDEHIJSMK-ZIAGYGMSSA-N 1 0 269.433 2.404 10 0 CEAERO Cc1cc(Br)c2ncc([C@@H](C)[NH3+])n2c1 ZINC000082693658 178188046 /nfs/dbraw/zinc/18/80/46/178188046.db2.gz AJMFEVUSZVYMNS-SSDOTTSWSA-N 1 0 254.131 2.425 10 0 CEAERO O=[S@](CC[NH2+]C1CC1)c1ccc(Br)cc1 ZINC000082747095 178268993 /nfs/dbraw/zinc/26/89/93/178268993.db2.gz YRQFUWAFVSTBLG-HNNXBMFYSA-N 1 0 288.210 2.309 10 0 CEAERO CCO[C@H]1C[C@@H]([N@H+](C)CCC2OCCO2)C12CCCC2 ZINC000125015215 187165615 /nfs/dbraw/zinc/16/56/15/187165615.db2.gz BKVGMRJBRFTLHL-KGLIPLIRSA-N 1 0 283.412 2.419 10 0 CEAERO C[C@@H]([NH3+])C[C@H](C)S(=O)(=O)c1cccc(Cl)c1 ZINC000082798598 178302168 /nfs/dbraw/zinc/30/21/68/178302168.db2.gz MKMJWKLQGSDGNN-BDAKNGLRSA-N 1 0 261.774 2.240 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1S(=O)(=O)c1cccs1 ZINC000082790081 178294691 /nfs/dbraw/zinc/29/46/91/178294691.db2.gz ZZRVSPQXHLGCJW-UWVGGRQHSA-N 1 0 259.396 2.039 10 0 CEAERO C[C@H](C[NH3+])[C@@H](O)c1ccc(Br)cc1F ZINC000083021732 178334713 /nfs/dbraw/zinc/33/47/13/178334713.db2.gz OCXJPTDLDXNBCE-LHLIQPBNSA-N 1 0 262.122 2.216 10 0 CEAERO C[C@@H]1CN(Cc2ccc(Br)o2)[C@@H](C)C[NH2+]1 ZINC000083118114 178338298 /nfs/dbraw/zinc/33/82/98/178338298.db2.gz KWVUMKQCPAQDOK-BDAKNGLRSA-N 1 0 273.174 2.224 10 0 CEAERO CC(=O)N[C@H]1CCC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000124845876 365661398 /nfs/dbraw/zinc/66/13/98/365661398.db2.gz PNONWNUBKFDGKK-ZDUSSCGKSA-N 1 0 298.333 2.389 10 0 CEAERO C[C@]([NH3+])(CO)CSc1cccc(Br)c1 ZINC000082902422 178329033 /nfs/dbraw/zinc/32/90/33/178329033.db2.gz DXXLAWUOCUQZGN-JTQLQIEISA-N 1 0 276.199 2.251 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C)CN1CCc1cccc(F)c1 ZINC000083383569 178386654 /nfs/dbraw/zinc/38/66/54/178386654.db2.gz UFSBPDFKWPKIOA-IUODEOHRSA-N 1 0 250.361 2.441 10 0 CEAERO [NH3+]CCCc1nnc(-c2ccc(Cl)c(F)c2)o1 ZINC000083412444 178420317 /nfs/dbraw/zinc/42/03/17/178420317.db2.gz OUFGSOPKMWLMET-UHFFFAOYSA-N 1 0 255.680 2.420 10 0 CEAERO CC[N@H+](C[C@@H]1CC(c2ccccc2)=NO1)CC(C)(C)O ZINC000036146464 361831108 /nfs/dbraw/zinc/83/11/08/361831108.db2.gz OBXDFVZPYKUTBF-AWEZNQCLSA-N 1 0 276.380 2.272 10 0 CEAERO CC[C@H]([NH3+])[C@H](O)c1cc(Br)ccc1F ZINC000036779124 361856414 /nfs/dbraw/zinc/85/64/14/361856414.db2.gz YZXVMQXSMQCSMU-VHSXEESVSA-N 1 0 262.122 2.359 10 0 CEAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)OC(C)(C)C ZINC000252661875 300311373 /nfs/dbraw/zinc/31/13/73/300311373.db2.gz QNYMOBDYIUJTAI-RYUDHWBXSA-N 1 0 254.374 2.480 10 0 CEAERO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](O)C2)c(OC)c1 ZINC000037164318 361902277 /nfs/dbraw/zinc/90/22/77/361902277.db2.gz KARMEDYDRYSAGM-CHWSQXEVSA-N 1 0 265.353 2.097 10 0 CEAERO CC(C)(C)OC(=O)N1C[C@H]([NH3+])[C@@H](C2CCCC2)C1 ZINC000096958574 185142611 /nfs/dbraw/zinc/14/26/11/185142611.db2.gz XGXJEKCLYUOWCN-NEPJUHHUSA-N 1 0 254.374 2.371 10 0 CEAERO Cc1cc(C)cc([C@H](O)CN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000096991522 185149391 /nfs/dbraw/zinc/14/93/91/185149391.db2.gz NFHRWCVDWRNLTL-IAGOWNOFSA-N 1 0 274.408 2.117 10 0 CEAERO CC1CCC(NC(=O)[C@H]2CC[C@@H]([NH3+])[C@@H](C)C2)CC1 ZINC000097030655 185155140 /nfs/dbraw/zinc/15/51/40/185155140.db2.gz RBJOUVJDGSAKSM-BMYFTYEUSA-N 1 0 252.402 2.445 10 0 CEAERO C[C@H]1CCCN(C(=O)C2CCC(C[NH3+])CC2)CC1 ZINC000097031655 185154541 /nfs/dbraw/zinc/15/45/41/185154541.db2.gz DSIFAWWTDBLJMT-HSBZDZAISA-N 1 0 252.402 2.400 10 0 CEAERO O=C1C(C[NH2+]C2CCCC2)=CC2=CC=C[C@@H]3CCN1[C@H]23 ZINC000039287482 361987933 /nfs/dbraw/zinc/98/79/33/361987933.db2.gz KPIXDQZOIJEYLH-WBMJQRKESA-N 1 0 270.376 2.172 10 0 CEAERO COC(=O)c1ccccc1N1CC[NH2+][C@H](CC(C)C)C1 ZINC000039952540 361990886 /nfs/dbraw/zinc/99/08/86/361990886.db2.gz UVEOWPOCQGZIRG-CYBMUJFWSA-N 1 0 276.380 2.298 10 0 CEAERO CCC(CC)[N@H+](CCOC)Cc1c(C)nn(C)c1OC ZINC000092565942 282184152 /nfs/dbraw/zinc/18/41/52/282184152.db2.gz DGPQKSXWYYFFEA-UHFFFAOYSA-N 1 0 283.416 2.374 10 0 CEAERO C[C@H](C[NH2+][C@H]1CCc2ccc(F)cc21)N1CCOCC1 ZINC000123402657 539176465 /nfs/dbraw/zinc/17/64/65/539176465.db2.gz TZLNRMMHZGTVDZ-WBMJQRKESA-N 1 0 278.371 2.123 10 0 CEAERO CCc1cc(Br)cc2c1NC[C@]21C[C@H]1[NH3+] ZINC000725247824 539192522 /nfs/dbraw/zinc/19/25/22/539192522.db2.gz ZQBSQBCRIXWFJW-ZYHUDNBSSA-N 1 0 267.170 2.406 10 0 CEAERO [NH3+][C@H]1C[C@@]12CNc1c2cc(Br)cc1Cl ZINC000725247495 539192719 /nfs/dbraw/zinc/19/27/19/539192719.db2.gz OJVUEEFXZFAXMS-WPRPVWTQSA-N 1 0 273.561 2.497 10 0 CEAERO CC1(C)C[C@H](O)CC[N@H+](C[C@@H]2CCC[C@@H](O)C2)C1 ZINC000395384464 539185073 /nfs/dbraw/zinc/18/50/73/539185073.db2.gz LEEVWVSSJNHIIQ-MGPQQGTHSA-N 1 0 255.402 2.020 10 0 CEAERO COc1cccc(C[N@@H+]2CC[C@@H](CCO)C2)c1F ZINC000124330737 539188440 /nfs/dbraw/zinc/18/84/40/539188440.db2.gz CFQVRAJGURGRTN-NSHDSACASA-N 1 0 253.317 2.039 10 0 CEAERO CC[C@H](NC(=O)OC(C)(C)C)[C@]1(C)[NH2+]CCc2nc[nH]c21 ZINC000725242796 539190618 /nfs/dbraw/zinc/19/06/18/539190618.db2.gz UCPQVBVANLEKNA-NHYWBVRUSA-N 1 0 294.399 2.074 10 0 CEAERO CC1(C)Cc2nc(Cl)cc(CO)c2C(C)(C)[NH2+]1 ZINC000725259287 539205955 /nfs/dbraw/zinc/20/59/55/539205955.db2.gz DAOFJTBSMQUKCM-UHFFFAOYSA-N 1 0 254.761 2.387 10 0 CEAERO CCC[C@H](C)C(=O)N[C@@H]1CC[NH2+]CC[C@H]1C(F)(F)F ZINC000725262688 539211407 /nfs/dbraw/zinc/21/14/07/539211407.db2.gz LMILFOKAZXFQCE-HBNTYKKESA-N 1 0 280.334 2.469 10 0 CEAERO [NH3+]C[C@@H]1CCCc2ccccc2N1C(=O)CC1CC1 ZINC000725262729 539211673 /nfs/dbraw/zinc/21/16/73/539211673.db2.gz OAXIVTKCUIBNCM-AWEZNQCLSA-N 1 0 258.365 2.483 10 0 CEAERO CCC(C)(C)NC(=O)N[C@]12CC[NH2+][C@@H]1CCCC2 ZINC000725264409 539212954 /nfs/dbraw/zinc/21/29/54/539212954.db2.gz LZANPJCWALWSEX-BXUZGUMPSA-N 1 0 253.390 2.149 10 0 CEAERO C[NH2+][C@@H]1C[C@@H](C(C)C)CC[C@@H]1S(=O)(=O)C(C)C ZINC000725265955 539213379 /nfs/dbraw/zinc/21/33/79/539213379.db2.gz ABLJLQOTGOLVPM-XQQFMLRXSA-N 1 0 261.431 2.222 10 0 CEAERO CC(C)(Cl)c1cn([C@@H]2CCOC3(CC[NH2+]CC3)C2)nn1 ZINC000725271960 539215555 /nfs/dbraw/zinc/21/55/55/539215555.db2.gz FKOLNUGVKGOXMO-LLVKDONJSA-N 1 0 298.818 2.226 10 0 CEAERO CC(C)(Cl)c1cn([C@H]2CCOC3(CC[NH2+]CC3)C2)nn1 ZINC000725271967 539215578 /nfs/dbraw/zinc/21/55/78/539215578.db2.gz FKOLNUGVKGOXMO-NSHDSACASA-N 1 0 298.818 2.226 10 0 CEAERO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccncc1Cl ZINC000231041998 539227746 /nfs/dbraw/zinc/22/77/46/539227746.db2.gz OXDDSECIMSRMMV-WCQYABFASA-N 1 0 254.761 2.376 10 0 CEAERO O[C@@H](COCc1ccccc1)C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000677730375 539260351 /nfs/dbraw/zinc/26/03/51/539260351.db2.gz IBKLUGXXVJSHSW-ZIAGYGMSSA-N 1 0 285.334 2.151 10 0 CEAERO C[C@H](NC(=O)CC1([NH3+])CC1)c1ccccc1Cl ZINC000398240823 539261756 /nfs/dbraw/zinc/26/17/56/539261756.db2.gz YXCNPBLNASTICU-VIFPVBQESA-N 1 0 252.745 2.399 10 0 CEAERO CC[C@@H]1C[N@@H+](C[C@@H]2CCC[C@@H](O)C2)C[C@H](CC)O1 ZINC000398581321 539262197 /nfs/dbraw/zinc/26/21/97/539262197.db2.gz MDPLZTPFSJDVLN-TUVASFSCSA-N 1 0 255.402 2.427 10 0 CEAERO CCOc1ccccc1[C@@H](C)[NH2+]C[C@H]1CN(CC)CCO1 ZINC000223644474 539268658 /nfs/dbraw/zinc/26/86/58/539268658.db2.gz PUPBZGXJFQTVGN-CABCVRRESA-N 1 0 292.423 2.457 10 0 CEAERO Cc1cccc([C@H]([NH3+])CN2C(=O)c3ccccc3C2=O)c1 ZINC000041088974 362017972 /nfs/dbraw/zinc/01/79/72/362017972.db2.gz AAHSFOWVKRTGIY-OAHLLOKOSA-N 1 0 280.327 2.291 10 0 CEAERO C[C@H]1C[NH2+]CCN1c1cccc(Br)c1 ZINC000041325071 362029824 /nfs/dbraw/zinc/02/98/24/362029824.db2.gz BVJNWPQMFSPDOO-VIFPVBQESA-N 1 0 255.159 2.247 10 0 CEAERO CC[N@H+](C)CCNc1cc(Cl)nc(C2CC2)n1 ZINC000126593251 187250683 /nfs/dbraw/zinc/25/06/83/187250683.db2.gz PKEQUQQQLABTNB-UHFFFAOYSA-N 1 0 254.765 2.371 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](O)c1cc(Br)cs1 ZINC000043289796 362142220 /nfs/dbraw/zinc/14/22/20/362142220.db2.gz ZCRYKROQGCXKSK-HTRCEHHLSA-N 1 0 250.161 2.281 10 0 CEAERO C[N@@H+](Cc1ccc(F)cc1)C[C@H](O)COC(C)(C)C ZINC000046342797 362181054 /nfs/dbraw/zinc/18/10/54/362181054.db2.gz ZXPPRBJQTGUDIO-AWEZNQCLSA-N 1 0 269.360 2.434 10 0 CEAERO COc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)cc1 ZINC000034086034 343419148 /nfs/dbraw/zinc/41/91/48/343419148.db2.gz UDGOUWXPIYPADE-HUUCEWRRSA-N 1 0 276.380 2.298 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@H](C)c1cc(F)ccc1F ZINC000037007720 343424916 /nfs/dbraw/zinc/42/49/16/343424916.db2.gz QIHFJHXDBSRYRR-PELKAZGASA-N 1 0 256.296 2.269 10 0 CEAERO C[C@H](NC(=O)C1CC[NH2+]CC1)c1cc(F)ccc1F ZINC000037007628 343425082 /nfs/dbraw/zinc/42/50/82/343425082.db2.gz VPQQTNKJSOXPOV-VIFPVBQESA-N 1 0 268.307 2.142 10 0 CEAERO C[C@@H](NC(=O)C[NH2+]C1CC1)c1ccc2c(c1)CCCC2 ZINC000037390269 343427267 /nfs/dbraw/zinc/42/72/67/343427267.db2.gz ONVINTDQIKVWAK-GFCCVEGCSA-N 1 0 272.392 2.495 10 0 CEAERO O=C(CC[NH2+]C1CC1)N[C@H]1CCCc2ccccc21 ZINC000037612402 343429484 /nfs/dbraw/zinc/42/94/84/343429484.db2.gz SWLZKAULYQULQA-HNNXBMFYSA-N 1 0 258.365 2.322 10 0 CEAERO CN(CCOc1ccc(F)cc1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054307745 343587393 /nfs/dbraw/zinc/58/73/93/343587393.db2.gz QRGIENXRDIOAPR-ZDUSSCGKSA-N 1 0 294.370 2.053 10 0 CEAERO Cc1nnsc1CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000328449548 539349801 /nfs/dbraw/zinc/34/98/01/539349801.db2.gz KENDMAPAXIFBSN-KGLIPLIRSA-N 1 0 288.420 2.021 10 0 CEAERO CCOC(=O)Cc1nn(CCC[NH+](C)C)c2ccccc12 ZINC000117727542 344289720 /nfs/dbraw/zinc/28/97/20/344289720.db2.gz VMROOFFUJIXSHY-UHFFFAOYSA-N 1 0 289.379 2.094 10 0 CEAERO Cc1cnc([C@H](C)NC(=O)C[C@H]2CCC[NH2+]C2)s1 ZINC000124514601 344314703 /nfs/dbraw/zinc/31/47/03/344314703.db2.gz PXUHRVIZGBGUPB-WDEREUQCSA-N 1 0 267.398 2.018 10 0 CEAERO C[C@@H]1CCC[C@@H](CCNC(=O)C(C)(C)N2CC[NH2+]CC2)C1 ZINC000129759933 344347019 /nfs/dbraw/zinc/34/70/19/344347019.db2.gz XZVXPUAMESWIJE-CABCVRRESA-N 1 0 295.471 2.003 10 0 CEAERO C[C@H]([NH3+])Cc1ncc(Br)cc1Br ZINC000129892485 344347279 /nfs/dbraw/zinc/34/72/79/344347279.db2.gz VJLBGMBWWKERND-YFKPBYRVSA-N 1 0 293.990 2.496 10 0 CEAERO [NH3+][C@H](CN1C(=O)c2ccccc2C1=O)C1CCCCC1 ZINC000132376067 344363155 /nfs/dbraw/zinc/36/31/55/344363155.db2.gz ZUJHVJKRPIYTBX-CQSZACIVSA-N 1 0 272.348 2.190 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)[C@@H](C)CCSC)C1 ZINC000152430044 344425813 /nfs/dbraw/zinc/42/58/13/344425813.db2.gz RHVRDNZCSHHQFJ-QWHCGFSZSA-N 1 0 287.473 2.254 10 0 CEAERO CCN1CCO[C@H](C[NH2+]Cc2ccc(OC(C)C)cc2)C1 ZINC000134434955 344374368 /nfs/dbraw/zinc/37/43/68/344374368.db2.gz BQFCJEOSSGZPCX-QGZVFWFLSA-N 1 0 292.423 2.284 10 0 CEAERO CCN1CCO[C@H](C[NH2+]Cc2ccccc2OC(C)C)C1 ZINC000134435645 344374460 /nfs/dbraw/zinc/37/44/60/344374460.db2.gz DVCLDKATIWDSAI-MRXNPFEDSA-N 1 0 292.423 2.284 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H](C)c2ccc(F)cc2F)C1 ZINC000134566218 344375362 /nfs/dbraw/zinc/37/53/62/344375362.db2.gz SZUKBQHNOQOXKP-WCQYABFASA-N 1 0 284.350 2.336 10 0 CEAERO [NH3+]C[C@@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1 ZINC000136275199 344384576 /nfs/dbraw/zinc/38/45/76/344384576.db2.gz SDFTVHVPMKAQAE-LJQANCHMSA-N 1 0 295.430 2.332 10 0 CEAERO COc1cc(N)ccc1OCCC1CC[NH+](C)CC1 ZINC000141603020 344401473 /nfs/dbraw/zinc/40/14/73/344401473.db2.gz PRQPABGGAWSKCW-UHFFFAOYSA-N 1 0 264.369 2.388 10 0 CEAERO CC(C)[NH+]1CCN(Cc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000142161094 344402584 /nfs/dbraw/zinc/40/25/84/344402584.db2.gz NJNVQYPKLHCLMT-AWEZNQCLSA-N 1 0 261.413 2.232 10 0 CEAERO [NH3+][C@H]1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000144151203 344406765 /nfs/dbraw/zinc/40/67/65/344406765.db2.gz WRCZYLBCTOEROR-KBPBESRZSA-N 1 0 262.353 2.430 10 0 CEAERO CC[N@H+](CCO)CCCCOc1ccc2c(c1)CCN2 ZINC000145986602 344409555 /nfs/dbraw/zinc/40/95/55/344409555.db2.gz VQSCQEBLSQVFJV-UHFFFAOYSA-N 1 0 278.396 2.128 10 0 CEAERO CN(C)c1ccc(C(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000155791561 344439252 /nfs/dbraw/zinc/43/92/52/344439252.db2.gz ZMHKNMZQIRKINU-INIZCTEOSA-N 1 0 289.423 2.390 10 0 CEAERO O[C@@H](C[NH2+]C[C@@H]1CCCCS1)COCc1ccco1 ZINC000158272342 344450680 /nfs/dbraw/zinc/45/06/80/344450680.db2.gz IIAYMKGBIFASOQ-JSGCOSHPSA-N 1 0 285.409 2.032 10 0 CEAERO C[C@@H]([NH3+])[C@@H]1CCN(c2nc(Br)cs2)C1 ZINC000160622710 344459886 /nfs/dbraw/zinc/45/98/86/344459886.db2.gz ABUQUWGMPILRMQ-RNFRBKRXSA-N 1 0 276.203 2.079 10 0 CEAERO [NH3+]C1CC(Oc2cc(F)ccc2Br)C1 ZINC000160659737 344460555 /nfs/dbraw/zinc/46/05/55/344460555.db2.gz LRRCXLYLSJAXEZ-UHFFFAOYSA-N 1 0 260.106 2.457 10 0 CEAERO [NH3+][C@@H]1CCO[C@H]1c1ccc(Br)c(F)c1 ZINC000162031647 344466120 /nfs/dbraw/zinc/46/61/20/344466120.db2.gz ZNYBJLHADOIIBV-ZJUUUORDSA-N 1 0 260.106 2.377 10 0 CEAERO CN1c2ccc(F)cc2-c2ccccc2[C@@H]([NH3+])C1=O ZINC000165136722 344473841 /nfs/dbraw/zinc/47/38/41/344473841.db2.gz UQRJMODLLANWSE-CQSZACIVSA-N 1 0 256.280 2.469 10 0 CEAERO C[C@@H]([NH3+])c1csc(I)c1 ZINC000169244413 344481580 /nfs/dbraw/zinc/48/15/80/344481580.db2.gz KIKSQUIFUBBHNP-SCSAIBSYSA-N 1 0 253.108 2.372 10 0 CEAERO Cc1ccc(CCC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000170857063 344491970 /nfs/dbraw/zinc/49/19/70/344491970.db2.gz PEWWILGNODSTGE-OAHLLOKOSA-N 1 0 260.381 2.090 10 0 CEAERO Cc1ccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)c(F)c1 ZINC000171070276 344495103 /nfs/dbraw/zinc/49/51/03/344495103.db2.gz HQZOQOZIGHJVGX-LLVKDONJSA-N 1 0 265.332 2.302 10 0 CEAERO CCC[C@@](C)(O)C[NH2+]CCOc1ccc(OC)cc1 ZINC000230708059 344573625 /nfs/dbraw/zinc/57/36/25/344573625.db2.gz MNWZGNCVINWNAA-OAHLLOKOSA-N 1 0 267.369 2.215 10 0 CEAERO CC(C)[C@H]1CCN(c2cnc3ccccc3n2)CC[NH2+]1 ZINC000217909513 344535792 /nfs/dbraw/zinc/53/57/92/344535792.db2.gz AURAFYDFYDVYQB-CYBMUJFWSA-N 1 0 270.380 2.454 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CC2)[C@@H](F)C1 ZINC000223650854 344543298 /nfs/dbraw/zinc/54/32/98/344543298.db2.gz SVPOAIXSYHYJCJ-QWRGUYRKSA-N 1 0 258.337 2.086 10 0 CEAERO CN(C(=O)c1cccc2[nH]ccc21)[C@@H]1CCC[NH2+]CC1 ZINC000226457374 344550106 /nfs/dbraw/zinc/55/01/06/344550106.db2.gz DSAUTTVZOUKUHU-GFCCVEGCSA-N 1 0 271.364 2.382 10 0 CEAERO CNc1ccccc1C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000227470885 344553545 /nfs/dbraw/zinc/55/35/45/344553545.db2.gz FBZNIZLZVAVEMG-STQMWFEESA-N 1 0 273.380 2.037 10 0 CEAERO Cc1cc(N2CCc3ccccc3[C@@H]2C[NH3+])nc(C)n1 ZINC000227724773 344556448 /nfs/dbraw/zinc/55/64/48/344556448.db2.gz SIBPZBSMSDBICR-HNNXBMFYSA-N 1 0 268.364 2.156 10 0 CEAERO CCCCOC[C@@H](O)C[NH2+]C[C@@H]1CCCCS1 ZINC000227894575 344557515 /nfs/dbraw/zinc/55/75/15/344557515.db2.gz OJAUKWMGESHBQH-STQMWFEESA-N 1 0 261.431 2.039 10 0 CEAERO CN1CC[C@H]([NH3+])[C@@H]1c1sccc1Br ZINC000228022107 344558086 /nfs/dbraw/zinc/55/80/86/344558086.db2.gz JDGQWIBTRQGDCI-JGVFFNPUSA-N 1 0 261.188 2.215 10 0 CEAERO CCN1C(=[NH2+])NC[C@@H]1c1sccc1Br ZINC000228027184 344558168 /nfs/dbraw/zinc/55/81/68/344558168.db2.gz MEPKSZMUZMDURQ-SSDOTTSWSA-N 1 0 274.187 2.202 10 0 CEAERO NC1=[NH+]C[C@@H](c2cc(Br)c(Cl)s2)N1 ZINC000228001160 344558174 /nfs/dbraw/zinc/55/81/74/344558174.db2.gz ZOXGCWTVXZFSOZ-BYPYZUCNSA-N 1 0 280.578 2.123 10 0 CEAERO CCS(=O)(=O)c1ccc(N[C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000228268685 344559855 /nfs/dbraw/zinc/55/98/55/344559855.db2.gz IOJXJMCKGPLTBB-GHMZBOCLSA-N 1 0 270.398 2.018 10 0 CEAERO CCS(=O)(=O)c1ccccc1N[C@@H](C)C[C@H](C)[NH3+] ZINC000228267737 344559929 /nfs/dbraw/zinc/55/99/29/344559929.db2.gz ABBYILZJEAALKD-QWRGUYRKSA-N 1 0 270.398 2.018 10 0 CEAERO CS[C@@H]1CCCC[C@H]1[NH2+]Cc1cnn(C)c1C ZINC000229812474 344569012 /nfs/dbraw/zinc/56/90/12/344569012.db2.gz DEPQWVOLYBGWEI-CHWSQXEVSA-N 1 0 253.415 2.492 10 0 CEAERO CS[C@@H]1CCC[C@H](NC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000235204934 344589703 /nfs/dbraw/zinc/58/97/03/344589703.db2.gz CFTZSGWFKCVUCZ-RWMBFGLXSA-N 1 0 270.442 2.167 10 0 CEAERO Cc1cn2c([nH+]1)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]12 ZINC000236046564 344594388 /nfs/dbraw/zinc/59/43/88/344594388.db2.gz CUVXARSSEWRYMN-RYUDHWBXSA-N 1 0 292.383 2.415 10 0 CEAERO O[C@H](c1occc1Br)[C@@H]1CCCC[NH2+]1 ZINC000236545947 344596050 /nfs/dbraw/zinc/59/60/50/344596050.db2.gz NIZBBWAVGSSCNP-IUCAKERBSA-N 1 0 260.131 2.218 10 0 CEAERO Cc1cc(Br)cc(NC(=O)[C@H](C)[NH3+])c1 ZINC000232069377 344576630 /nfs/dbraw/zinc/57/66/30/344576630.db2.gz SWBLEFMPERQMIF-ZETCQYMHSA-N 1 0 257.131 2.043 10 0 CEAERO CCC[C@@H]1C[C@H]1[NH2+]C[C@@H](O)COCc1ccccc1F ZINC000233306645 344581278 /nfs/dbraw/zinc/58/12/78/344581278.db2.gz CZIKJFXEYJBDEY-XNRPHZJLSA-N 1 0 281.371 2.481 10 0 CEAERO CNC(=[NH2+])N(C)Cc1cccc(Br)c1 ZINC000052018772 362460801 /nfs/dbraw/zinc/46/08/01/362460801.db2.gz SGXZGLRUSQWXPM-UHFFFAOYSA-N 1 0 256.147 2.035 10 0 CEAERO C[N@H+](CCOc1ccccc1F)C[C@H](O)COC(C)(C)C ZINC000052815602 362475737 /nfs/dbraw/zinc/47/57/37/362475737.db2.gz WUWFBSRVWQUSHX-ZDUSSCGKSA-N 1 0 299.386 2.312 10 0 CEAERO CCO[C@H](CCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000262242270 344654310 /nfs/dbraw/zinc/65/43/10/344654310.db2.gz BPARABVTNPCGGS-HZSPNIEDSA-N 1 0 270.417 2.071 10 0 CEAERO CCSCC[C@H](C)N(C)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000262287863 344654422 /nfs/dbraw/zinc/65/44/22/344654422.db2.gz MTNPLLUAFYDLFW-AVGNSLFASA-N 1 0 272.458 2.494 10 0 CEAERO CC[C@@H](C)[N@@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000248373779 344622359 /nfs/dbraw/zinc/62/23/59/344622359.db2.gz LHOMLXNSKZUHKZ-BXUZGUMPSA-N 1 0 250.390 2.405 10 0 CEAERO [NH3+]C[C@H]1C[C@H]1c1cccc(I)c1 ZINC000307093789 344720101 /nfs/dbraw/zinc/72/01/01/344720101.db2.gz DMLCACRAQLZEJC-SCZZXKLOSA-N 1 0 273.117 2.353 10 0 CEAERO C[C@@H]1NC(=O)OC12CC[NH+](Cc1ccccc1)CC2 ZINC000307155295 344720405 /nfs/dbraw/zinc/72/04/05/344720405.db2.gz DWKZWIDXZXJFOK-LBPRGKRZSA-N 1 0 260.337 2.150 10 0 CEAERO CSC[C@@H](C)C[NH2+]CCNCc1ccccc1 ZINC000307167418 344720558 /nfs/dbraw/zinc/72/05/58/344720558.db2.gz RNTNALXHWMMXMD-ZDUSSCGKSA-N 1 0 252.427 2.365 10 0 CEAERO C[C@@H]([NH3+])[C@H](C)Nc1ccccc1I ZINC000307437605 344722706 /nfs/dbraw/zinc/72/27/06/344722706.db2.gz UVFIXGZDAPFZSY-SFYZADRCSA-N 1 0 290.148 2.439 10 0 CEAERO OC[C@@H]1C[C@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000308925679 344728363 /nfs/dbraw/zinc/72/83/63/344728363.db2.gz KLGQGPMXPFNVHN-GZMMTYOYSA-N 1 0 274.133 2.059 10 0 CEAERO C[C@@H]1C[NH2+]CCN1Cc1ccsc1Br ZINC000306561288 344714640 /nfs/dbraw/zinc/71/46/40/344714640.db2.gz SOLMWNUXMJRMOQ-MRVPVSSYSA-N 1 0 275.215 2.304 10 0 CEAERO O[C@H](c1csc(Br)c1)[C@@H]1CCC[NH2+]1 ZINC000306727028 344716816 /nfs/dbraw/zinc/71/68/16/344716816.db2.gz MHAHXBMSCVASBS-IONNQARKSA-N 1 0 262.172 2.296 10 0 CEAERO C[C@H](c1sccc1Br)N1CC[NH2+]CC1 ZINC000306823863 344717784 /nfs/dbraw/zinc/71/77/84/344717784.db2.gz UTWVXSLLNPAADK-MRVPVSSYSA-N 1 0 275.215 2.477 10 0 CEAERO NC(=O)c1cccc(CN(C[C@@H]2CCC[NH2+]2)C2CC2)c1 ZINC000328647219 344758165 /nfs/dbraw/zinc/75/81/65/344758165.db2.gz TVEDGNXFRACXAH-AWEZNQCLSA-N 1 0 273.380 2.286 10 0 CEAERO CCc1noc(C)c1C[N@H+](C)C[C@H]1CCc2nccn2C1 ZINC000328626022 344756594 /nfs/dbraw/zinc/75/65/94/344756594.db2.gz DSGPDUYSADTZNX-CYBMUJFWSA-N 1 0 288.395 2.436 10 0 CEAERO COC(=O)c1csc(C[NH2+]C[C@H](O)C(C)(C)C)c1 ZINC000602561424 347078216 /nfs/dbraw/zinc/07/82/16/347078216.db2.gz FISQZVQZVGVHGH-NSHDSACASA-N 1 0 271.382 2.031 10 0 CEAERO CC[C@@H]1CN(c2nc(C)c(C#N)cc2Cl)CC[C@H]1[NH3+] ZINC000381912972 344825587 /nfs/dbraw/zinc/82/55/87/344825587.db2.gz TVNVKUKRTKNUFF-ZWNOBZJWSA-N 1 0 278.787 2.479 10 0 CEAERO COC[C@@](C)(O)CNc1nccc2c(OC)cccc21 ZINC000382560031 344826139 /nfs/dbraw/zinc/82/61/39/344826139.db2.gz LECFZUBFDCFWRP-HNNXBMFYSA-N 1 0 276.336 2.053 10 0 CEAERO CCOC(=O)c1cnc(N(C)C[C@@H]2CCC[N@@H+]2CC)s1 ZINC000383588260 344827518 /nfs/dbraw/zinc/82/75/18/344827518.db2.gz BUJMGEAWULWPSO-NSHDSACASA-N 1 0 297.424 2.240 10 0 CEAERO CC(C)c1ccc(C[NH2+][C@H]2CCCN(CCO)C2)cc1 ZINC000384395001 344828396 /nfs/dbraw/zinc/82/83/96/344828396.db2.gz ODULNHBCUIVQCU-KRWDZBQOSA-N 1 0 276.424 2.356 10 0 CEAERO COCOc1c(Cl)cc(Cl)cc1CC[NH3+] ZINC000083749261 178741356 /nfs/dbraw/zinc/74/13/56/178741356.db2.gz SMNWONXXOOQUDD-UHFFFAOYSA-N 1 0 250.125 2.477 10 0 CEAERO Cc1ccc(NC(=O)COCC2([NH3+])CCCC2)cc1 ZINC000083863118 178755586 /nfs/dbraw/zinc/75/55/86/178755586.db2.gz DFYROYKFMDUBDA-UHFFFAOYSA-N 1 0 262.353 2.222 10 0 CEAERO CC[C@@H]1CCC[C@H]([NH2+]C2CCN(CCO)CC2)C1 ZINC000399191814 344856900 /nfs/dbraw/zinc/85/69/00/344856900.db2.gz QEYLJEIHHZCBMA-HIFRSBDPSA-N 1 0 254.418 2.002 10 0 CEAERO Fc1ccc(Cl)cc1CN1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404246151 344878378 /nfs/dbraw/zinc/87/83/78/344878378.db2.gz GAZTZDVUHCDBQV-KBPBESRZSA-N 1 0 284.762 2.042 10 0 CEAERO Fc1ccc(Cl)cc1CN1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404246157 344878667 /nfs/dbraw/zinc/87/86/67/344878667.db2.gz GAZTZDVUHCDBQV-UONOGXRCSA-N 1 0 284.762 2.042 10 0 CEAERO [NH2+]=C1NC[C@H](c2ccns2)N1Cc1ccccc1 ZINC000404449801 344880764 /nfs/dbraw/zinc/88/07/64/344880764.db2.gz FVKTXUJYBZDTEW-LLVKDONJSA-N 1 0 258.350 2.224 10 0 CEAERO [NH3+][C@@H](C1=COCC1)c1nscc1Br ZINC000404790237 344882607 /nfs/dbraw/zinc/88/26/07/344882607.db2.gz QWFCCEWFTRWBAO-ZETCQYMHSA-N 1 0 261.144 2.210 10 0 CEAERO CC(C)c1ccc([S@](=O)[C@H]2COCC[C@@H]2[NH3+])cc1 ZINC000084003736 178769924 /nfs/dbraw/zinc/76/99/24/178769924.db2.gz QUCJYQAIURGVTD-SUNYJGFJSA-N 1 0 267.394 2.034 10 0 CEAERO COc1cccc([S@@](=O)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000084003366 178769958 /nfs/dbraw/zinc/76/99/58/178769958.db2.gz APJWWZBZHIMCOP-DCGLDWPTSA-N 1 0 253.367 2.073 10 0 CEAERO COCCOc1cc(C[C@H]([NH3+])C(C)C)ccc1F ZINC000584594954 344961472 /nfs/dbraw/zinc/96/14/72/344961472.db2.gz LNHRZXLWNPSNDX-ZDUSSCGKSA-N 1 0 255.333 2.377 10 0 CEAERO O=C([C@@H]1CCCC[C@@H]1[NH+]1CCCC1)N1CCCC1 ZINC000584605944 344964233 /nfs/dbraw/zinc/96/42/33/344964233.db2.gz ACNLORUZHFFDDZ-KGLIPLIRSA-N 1 0 250.386 2.263 10 0 CEAERO C[C@H]([NH3+])c1cccc(SCC(=O)NCC(F)(F)F)c1 ZINC000084122515 178797379 /nfs/dbraw/zinc/79/73/79/178797379.db2.gz SWOJLQYVMZVADH-QMMMGPOBSA-N 1 0 292.326 2.477 10 0 CEAERO OC[C@]1(C[C@H]2CO2)CCC[N@H+](Cc2ccccc2)C1 ZINC000584882609 344996358 /nfs/dbraw/zinc/99/63/58/344996358.db2.gz RGFAXADQLOUVQL-HOTGVXAUSA-N 1 0 261.365 2.050 10 0 CEAERO CCOc1ccc2nc(NC(=O)[C@@H](C)[NH2+]C)sc2c1 ZINC000054071590 362509376 /nfs/dbraw/zinc/50/93/76/362509376.db2.gz RUYDREOIYDNMLV-MRVPVSSYSA-N 1 0 279.365 2.241 10 0 CEAERO C[NH2+][C@H](C)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000054076084 362510432 /nfs/dbraw/zinc/51/04/32/362510432.db2.gz BNFRNXLBNYXICF-ZCFIWIBFSA-N 1 0 264.222 2.391 10 0 CEAERO [NH3+]C1(CC(=O)N2CCC[C@@H]2c2ccc[nH]2)CCCC1 ZINC000084182235 178816775 /nfs/dbraw/zinc/81/67/75/178816775.db2.gz ASVQSJLLDSOWRM-CYBMUJFWSA-N 1 0 261.369 2.340 10 0 CEAERO CN(C(=O)C[C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000054292494 362523206 /nfs/dbraw/zinc/52/32/06/362523206.db2.gz YFJIGQNSFVNWEH-LLVKDONJSA-N 1 0 250.317 2.178 10 0 CEAERO COCc1cccc(NC(=O)C[C@@H]2CCC[NH2+]C2)c1 ZINC000054291626 362523212 /nfs/dbraw/zinc/52/32/12/362523212.db2.gz KJKIEYRLCDSONI-LBPRGKRZSA-N 1 0 262.353 2.161 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)NCc1ccc(F)c(Cl)c1 ZINC000054309113 362526165 /nfs/dbraw/zinc/52/61/65/362526165.db2.gz PKPMVPDFPXLRLA-SNVBAGLBSA-N 1 0 284.762 2.485 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)NCCCOC1CCCCC1 ZINC000054308725 362526642 /nfs/dbraw/zinc/52/66/42/362526642.db2.gz BRUFKTTYWORVPI-CQSZACIVSA-N 1 0 282.428 2.232 10 0 CEAERO CCN1CCC[C@H]([NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000589644784 345091479 /nfs/dbraw/zinc/09/14/79/345091479.db2.gz SQNQFWXFRSOMPP-LBPRGKRZSA-N 1 0 258.369 2.137 10 0 CEAERO Cc1ccc([C@H](C)[NH2+][C@H](C)C[C@H]2COCCN2)o1 ZINC000229194703 539453102 /nfs/dbraw/zinc/45/31/02/539453102.db2.gz FSTFFAXBTCQPES-WXHSDQCUSA-N 1 0 252.358 2.006 10 0 CEAERO Cc1nn(C)c(C[C@@H]([NH3+])C(C)C)c1Br ZINC000084273670 178839488 /nfs/dbraw/zinc/83/94/88/178839488.db2.gz OELZVIIKFAXGGU-MRVPVSSYSA-N 1 0 260.179 2.017 10 0 CEAERO Cc1ccc(S(=O)(=O)Cc2ccnc(C[NH3+])c2)c(C)c1 ZINC000084268414 178835149 /nfs/dbraw/zinc/83/51/49/178835149.db2.gz CUOCYLXDNNRDCX-UHFFFAOYSA-N 1 0 290.388 2.131 10 0 CEAERO O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@H]1CCCC[NH2+]1 ZINC000156837095 295733109 /nfs/dbraw/zinc/73/31/09/295733109.db2.gz NWHPTOOTIGTZEK-GMTAPVOTSA-N 1 0 278.318 2.366 10 0 CEAERO Cc1cccc(CS(=O)(=O)[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000084357613 178867903 /nfs/dbraw/zinc/86/79/03/178867903.db2.gz SEVOZSXFILJRCT-RYUDHWBXSA-N 1 0 255.383 2.036 10 0 CEAERO CC[NH2+][C@@H]1CCC[C@H](Sc2nnc(C)n2C)C1 ZINC000084432171 178886662 /nfs/dbraw/zinc/88/66/62/178886662.db2.gz XMPKXAPJCXXALY-MNOVXSKESA-N 1 0 254.403 2.136 10 0 CEAERO CCc1c(C)nc(-c2ccccc2)nc1N1CC[NH2+]CC1 ZINC000058047387 362606434 /nfs/dbraw/zinc/60/64/34/362606434.db2.gz SSOZHKZKCWRGRB-UHFFFAOYSA-N 1 0 282.391 2.424 10 0 CEAERO CN(CC1CC([NH3+])C1)c1ccc(Br)cn1 ZINC000084454793 178890470 /nfs/dbraw/zinc/89/04/70/178890470.db2.gz VUTXPEAYOZGDBF-UHFFFAOYSA-N 1 0 270.174 2.018 10 0 CEAERO C[NH2+][C@@H]1C[C@H](C)C[C@@H](C)[C@@H]1SCCC(=O)OC ZINC000084473694 178894573 /nfs/dbraw/zinc/89/45/73/178894573.db2.gz KEVWHRGIJXQUSS-UZWSLXQKSA-N 1 0 259.415 2.305 10 0 CEAERO CC[NH2+]C[C@](C)(O)Cc1cc(Cl)ccc1OC ZINC000097209984 185564474 /nfs/dbraw/zinc/56/44/74/185564474.db2.gz ABBMZVOWJQJEOA-CYBMUJFWSA-N 1 0 257.761 2.252 10 0 CEAERO CCC[NH2+][C@H](CCCS(=O)(=O)CC)CCSC ZINC000097217559 185566364 /nfs/dbraw/zinc/56/63/64/185566364.db2.gz QSECTEHQBADPMU-GFCCVEGCSA-N 1 0 281.487 2.323 10 0 CEAERO CC[NH2+][C@@H](CCCS(=O)(=O)CC)CCc1ccccn1 ZINC000097217946 185566903 /nfs/dbraw/zinc/56/69/03/185566903.db2.gz QMEZVDVEWQAJGA-AWEZNQCLSA-N 1 0 298.452 2.207 10 0 CEAERO c1ccc(Sc2ccnc(N3CC[NH2+]CC3)n2)cc1 ZINC000058825603 362640131 /nfs/dbraw/zinc/64/01/31/362640131.db2.gz RHNNCQVRPFXSDO-UHFFFAOYSA-N 1 0 272.377 2.037 10 0 CEAERO COCC[NH2+]C[C@@](C)(O)Cc1cccc(C(F)(F)F)c1 ZINC000097241228 185572331 /nfs/dbraw/zinc/57/23/31/185572331.db2.gz PXCFWMKHMOVWLO-ZDUSSCGKSA-N 1 0 291.313 2.235 10 0 CEAERO CCn1ccnc1C[C@@H](Cn1cnc2ccccc21)[NH2+]C ZINC000097304502 185581112 /nfs/dbraw/zinc/58/11/12/185581112.db2.gz FTEIVDQTLNJSMX-ZDUSSCGKSA-N 1 0 283.379 2.083 10 0 CEAERO CCc1cc(C[C@@H](COC(C)(C)C)[NH2+]C)n(CC)n1 ZINC000097279740 185577503 /nfs/dbraw/zinc/57/75/03/185577503.db2.gz MBBNRHDZTVCJTO-ZDUSSCGKSA-N 1 0 267.417 2.411 10 0 CEAERO CC[NH2+][C@H](COC(C)C)Cc1cc(CC)nn1CC ZINC000097279988 185577599 /nfs/dbraw/zinc/57/75/99/185577599.db2.gz XDFNRAHXWHTVRX-AWEZNQCLSA-N 1 0 267.417 2.411 10 0 CEAERO Cn1nc(C[C@H]([NH3+])CCc2ccncc2)c2ccccc21 ZINC000097279432 185577898 /nfs/dbraw/zinc/57/78/98/185577898.db2.gz YRDIUMALRHZNQU-CQSZACIVSA-N 1 0 280.375 2.471 10 0 CEAERO CC[NH2+][C@@H](Cc1ccc(CC)cn1)c1ccnnc1 ZINC000097313342 185584360 /nfs/dbraw/zinc/58/43/60/185584360.db2.gz AJMZGVQAKXZSPG-HNNXBMFYSA-N 1 0 256.353 2.327 10 0 CEAERO CCc1noc([C@H](C)N2CC[NH+](CCCSC)CC2)n1 ZINC000173684873 232281999 /nfs/dbraw/zinc/28/19/99/232281999.db2.gz QAPUKBZDOLUFOS-LBPRGKRZSA-N 1 0 298.456 2.064 10 0 CEAERO Cc1c([C@H]([NH3+])Cc2ccc(F)c(F)c2)cnn1C ZINC000097382604 185594731 /nfs/dbraw/zinc/59/47/31/185594731.db2.gz UTRDOFUPMJRVNP-CYBMUJFWSA-N 1 0 251.280 2.249 10 0 CEAERO CC[C@H]([NH3+])[C@@H](CCO)c1ccc2c(c1)OCCCO2 ZINC000097435160 185602790 /nfs/dbraw/zinc/60/27/90/185602790.db2.gz AGTINOCIJFYFQH-STQMWFEESA-N 1 0 265.353 2.051 10 0 CEAERO [NH3+][C@@H](C[C@@H]1CCS(=O)(=O)C1)c1cc2ccccc2o1 ZINC000097424330 185601208 /nfs/dbraw/zinc/60/12/08/185601208.db2.gz KJDBJHOGAIEOPG-JQWIXIFHSA-N 1 0 279.361 2.257 10 0 CEAERO C[C@@](O)(C[NH2+]C1CC1)c1occc1Br ZINC000085078335 178947728 /nfs/dbraw/zinc/94/77/28/178947728.db2.gz VNHGSMKCEBDATG-SNVBAGLBSA-N 1 0 260.131 2.002 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](CC(=O)OC)c1ccc2c(c1)CCO2 ZINC000097432063 185602204 /nfs/dbraw/zinc/60/22/04/185602204.db2.gz LYUAOKNHCNZYAB-QWHCGFSZSA-N 1 0 263.337 2.006 10 0 CEAERO COc1ccc([C@H](C[NH3+])SC[C@H](C)CO)cc1 ZINC000097459301 185609329 /nfs/dbraw/zinc/60/93/29/185609329.db2.gz FAWBPTLEVIVJDK-MFKMUULPSA-N 1 0 255.383 2.057 10 0 CEAERO CC[NH2+][C@@H](COC)Cc1ccn(C2CCCC2)n1 ZINC000085182923 178965970 /nfs/dbraw/zinc/96/59/70/178965970.db2.gz FLHIFYWVTGAXHF-CYBMUJFWSA-N 1 0 251.374 2.165 10 0 CEAERO [NH3+][C@@H](Cc1ccn(C2CCCC2)n1)c1ccncn1 ZINC000085183423 178966332 /nfs/dbraw/zinc/96/63/32/178966332.db2.gz LIUBRBHQSHAPTN-ZDUSSCGKSA-N 1 0 257.341 2.031 10 0 CEAERO CCc1ccc(N(C)C[C@H](CO)[NH2+]C(C)C)cc1 ZINC000085214885 178978656 /nfs/dbraw/zinc/97/86/56/178978656.db2.gz CFGBJSBALJXXOC-CQSZACIVSA-N 1 0 250.386 2.044 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+][C@H]2C[C@H](O)C2(C)C)c1C ZINC000128342401 187364595 /nfs/dbraw/zinc/36/45/95/187364595.db2.gz QJILSPOMNMVZIF-XDTLVQLUSA-N 1 0 265.401 2.330 10 0 CEAERO CC[NH2+][C@@H]1CCN(S(=O)(=O)CC2CC2)c2ccccc21 ZINC000086496249 136512844 /nfs/dbraw/zinc/51/28/44/136512844.db2.gz QJYRDGGZLAGPFH-CQSZACIVSA-N 1 0 294.420 2.287 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1c1ncnc2c1CCCCC2 ZINC000094888117 136514928 /nfs/dbraw/zinc/51/49/28/136514928.db2.gz BOFYKRRDJXSJCA-CYBMUJFWSA-N 1 0 274.412 2.324 10 0 CEAERO CC[NH+](CC)C(C)(C)[C@H](Cc1cc(F)ccc1F)NN ZINC000097580705 185630040 /nfs/dbraw/zinc/63/00/40/185630040.db2.gz HLMLNUMIRGHLDX-AWEZNQCLSA-N 1 0 285.382 2.460 10 0 CEAERO CCC(CC)([C@H](Cc1c(F)cccc1F)NN)[NH+](C)C ZINC000097586682 185631787 /nfs/dbraw/zinc/63/17/87/185631787.db2.gz DDJNGQHBYBHRGU-AWEZNQCLSA-N 1 0 285.382 2.460 10 0 CEAERO CCC(CC)([C@H](NN)c1cccc2c1OCC2)[NH+](C)C ZINC000097586731 185632165 /nfs/dbraw/zinc/63/21/65/185632165.db2.gz ULLUUTYPPQTJLY-OAHLLOKOSA-N 1 0 277.412 2.246 10 0 CEAERO CCn1cc(C[C@H](NN)C(CC)(CC)[NH+](CC)CC)cn1 ZINC000097586814 185632510 /nfs/dbraw/zinc/63/25/10/185632510.db2.gz JJWPWAYRONZJRP-HNNXBMFYSA-N 1 0 295.475 2.178 10 0 CEAERO C[C@@H](C[C@](C)([NH3+])CO)Oc1cccc2cccnc21 ZINC000085282587 179000112 /nfs/dbraw/zinc/00/01/12/179000112.db2.gz XLHAGFULDZKBLD-NHYWBVRUSA-N 1 0 260.337 2.102 10 0 CEAERO CCC[NH2+][C@](C)(CO)CCCCOCC(F)(F)F ZINC000085282773 179000167 /nfs/dbraw/zinc/00/01/67/179000167.db2.gz SYPSDIIXLBKTAC-NSHDSACASA-N 1 0 271.323 2.486 10 0 CEAERO C[C@@]([NH3+])(CO)CCCCOc1ccc2c(c1)CCC2 ZINC000085282580 179000240 /nfs/dbraw/zinc/00/02/40/179000240.db2.gz VMCOSNYTDFVHAT-INIZCTEOSA-N 1 0 263.381 2.434 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCCn1cnc2ccccc21 ZINC000085263585 178994181 /nfs/dbraw/zinc/99/41/81/178994181.db2.gz SMMNLGGBYKFVPT-OAHLLOKOSA-N 1 0 261.369 2.177 10 0 CEAERO C[C@]([NH3+])(CO)CCCCOc1cc(F)cc(F)c1 ZINC000085265234 178995530 /nfs/dbraw/zinc/99/55/30/178995530.db2.gz VSKQFTQRPYFSMF-CYBMUJFWSA-N 1 0 259.296 2.224 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)CCOc1cccc(F)c1 ZINC000085285499 179003521 /nfs/dbraw/zinc/00/35/21/179003521.db2.gz XWSIZMSDFLZJIF-CQSZACIVSA-N 1 0 255.333 2.344 10 0 CEAERO CC[NH2+][C@@](C)(CO)COc1c(C)ccc(C)c1C ZINC000085286238 179003896 /nfs/dbraw/zinc/00/38/96/179003896.db2.gz BCXCMSWCVWBICI-HNNXBMFYSA-N 1 0 251.370 2.351 10 0 CEAERO C[C@@](CO)(CCOc1ccc(F)c(F)c1)[NH2+]C1CC1 ZINC000085286798 179004447 /nfs/dbraw/zinc/00/44/47/179004447.db2.gz DYAAHFKESFUNAT-AWEZNQCLSA-N 1 0 271.307 2.237 10 0 CEAERO C[NH2+][C@@](CO)(COC1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000085287438 179004794 /nfs/dbraw/zinc/00/47/94/179004794.db2.gz YKVUXKNBIFZKGD-KNUOEEMSSA-N 1 0 255.402 2.188 10 0 CEAERO CCC[NH2+][C@@](C)(CO)C[C@H](C)Sc1nccc(C)n1 ZINC000085287900 179005344 /nfs/dbraw/zinc/00/53/44/179005344.db2.gz TZFGPOURUILYIC-GXTWGEPZSA-N 1 0 283.441 2.406 10 0 CEAERO COCCSC[C@](CO)([NH2+]C1CC1)c1ccccc1 ZINC000085298010 179009207 /nfs/dbraw/zinc/00/92/07/179009207.db2.gz JGKRQHAZNVAOSC-HNNXBMFYSA-N 1 0 281.421 2.006 10 0 CEAERO OC[C@](CSCc1ccco1)([NH2+]C1CC1)C1CC1 ZINC000085297934 179009367 /nfs/dbraw/zinc/00/93/67/179009367.db2.gz GAPHYTDLPWFBSQ-CQSZACIVSA-N 1 0 267.394 2.406 10 0 CEAERO Cc1ccc2cccc(OCC[C@](C)(O)C[NH3+])c2n1 ZINC000085307553 179012424 /nfs/dbraw/zinc/01/24/24/179012424.db2.gz ZRRUXMWEZMJGLA-HNNXBMFYSA-N 1 0 260.337 2.022 10 0 CEAERO CC(C)(C)c1ccc(OC[C@](O)(C[NH3+])C2CC2)cc1 ZINC000085306897 179012806 /nfs/dbraw/zinc/01/28/06/179012806.db2.gz DHLDHFRUPGUJMG-MRXNPFEDSA-N 1 0 263.381 2.463 10 0 CEAERO C[C@@H](C[NH3+])SCc1nnc(-c2cccs2)o1 ZINC000085308028 179013237 /nfs/dbraw/zinc/01/32/37/179013237.db2.gz VVISIZWTLUUUTB-ZETCQYMHSA-N 1 0 255.368 2.379 10 0 CEAERO Cc1ccc(SC[C@](O)(C[NH3+])C2CC2)c(C)c1 ZINC000085308424 179013311 /nfs/dbraw/zinc/01/33/11/179013311.db2.gz GWEKVNVPGPBCPW-CQSZACIVSA-N 1 0 251.395 2.495 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)NCc1ccc(Cl)cc1 ZINC000085357624 179030624 /nfs/dbraw/zinc/03/06/24/179030624.db2.gz CXUORNUZSOJWNF-CHWSQXEVSA-N 1 0 266.772 2.474 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)NCCc1cccc(F)c1 ZINC000085358668 179031251 /nfs/dbraw/zinc/03/12/51/179031251.db2.gz LOFFGGYWRFQJCI-ZIAGYGMSSA-N 1 0 264.344 2.002 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])c1ccc(F)c(F)c1 ZINC000085360637 179032952 /nfs/dbraw/zinc/03/29/52/179032952.db2.gz MZAZOIAZPHLWCU-JQEORGNBSA-N 1 0 268.307 2.269 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000085361152 179033091 /nfs/dbraw/zinc/03/30/91/179033091.db2.gz JFNIBPBOTQMACB-VXNVDRBHSA-N 1 0 282.727 2.135 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)Nc1cnc2ccccc2c1 ZINC000085361603 179033630 /nfs/dbraw/zinc/03/36/30/179033630.db2.gz ANBRZIFAWPXMSL-OLZOCXBDSA-N 1 0 255.321 2.301 10 0 CEAERO Ic1cnc(C[C@H]2CCC[NH2+]2)s1 ZINC000085352051 179029769 /nfs/dbraw/zinc/02/97/69/179029769.db2.gz AMYZPRXDHVNPOE-ZCFIWIBFSA-N 1 0 294.161 2.042 10 0 CEAERO CSc1ccc(NC(=O)[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000085355785 179030118 /nfs/dbraw/zinc/03/01/18/179030118.db2.gz HYAGZXKRTPYLKY-NWDGAFQWSA-N 1 0 250.367 2.474 10 0 CEAERO C[C@H](C1CC1)N(CC(F)(F)F)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085367885 179037795 /nfs/dbraw/zinc/03/77/95/179037795.db2.gz RDSSYTISSXALNJ-MIMYLULJSA-N 1 0 278.318 2.303 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)NCc1ccc(OC(F)F)cc1 ZINC000085370900 179041270 /nfs/dbraw/zinc/04/12/70/179041270.db2.gz WHQZJSHZDZDYRJ-NEPJUHHUSA-N 1 0 284.306 2.032 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)NCc1cccc(Br)c1 ZINC000085372345 179042127 /nfs/dbraw/zinc/04/21/27/179042127.db2.gz VQDIDIUWGVRZFU-NEPJUHHUSA-N 1 0 297.196 2.193 10 0 CEAERO C[C@@H](O)c1ccccc1NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085372683 179042261 /nfs/dbraw/zinc/04/22/61/179042261.db2.gz XZZMXFFPXHVTDW-WXHSDQCUSA-N 1 0 262.353 2.196 10 0 CEAERO CCN(C(=O)[C@H]1CCC[C@H]1[NH3+])c1cccc(F)c1 ZINC000085373251 179042652 /nfs/dbraw/zinc/04/26/52/179042652.db2.gz KKAYCCZDPBPAFK-QWHCGFSZSA-N 1 0 250.317 2.306 10 0 CEAERO Cc1cccc(CCNC(=O)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000085373937 179042760 /nfs/dbraw/zinc/04/27/60/179042760.db2.gz YBQZAVFUZBXGLF-GJZGRUSLSA-N 1 0 260.381 2.171 10 0 CEAERO CCN(C(=O)[C@H]1CCC[C@H]1[NH3+])c1ccccc1F ZINC000085373622 179042802 /nfs/dbraw/zinc/04/28/02/179042802.db2.gz GHWMORMSCUWPOJ-CMPLNLGQSA-N 1 0 250.317 2.306 10 0 CEAERO COCCOc1ccc(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000085364758 179036243 /nfs/dbraw/zinc/03/62/43/179036243.db2.gz JHGVBTKAIWULIF-HUUCEWRRSA-N 1 0 292.379 2.168 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000085365345 179036271 /nfs/dbraw/zinc/03/62/71/179036271.db2.gz PPLOGLRKVXLTKY-DCAQKATOSA-N 1 0 278.318 2.305 10 0 CEAERO COc1ccccc1C[C@@H](C)NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085365946 179036585 /nfs/dbraw/zinc/03/65/85/179036585.db2.gz IPJJVSRJAIZQDV-YUELXQCFSA-N 1 0 290.407 2.260 10 0 CEAERO COC(C[NH2+][C@H]1C[C@@H](OCC(C)C)C1(C)C)OC ZINC000085400638 179051914 /nfs/dbraw/zinc/05/19/14/179051914.db2.gz LSWXZYMAQHSPIQ-NWDGAFQWSA-N 1 0 259.390 2.035 10 0 CEAERO CCCC1CCC([NH2+]Cc2cnn(CCO)c2)CC1 ZINC000085433792 179061238 /nfs/dbraw/zinc/06/12/38/179061238.db2.gz IDECOEVIFJEMPK-UHFFFAOYSA-N 1 0 265.401 2.324 10 0 CEAERO CC[C@H](C)n1ccc(CN2CC[NH2+][C@@H](CC)C2)n1 ZINC000085434588 179061262 /nfs/dbraw/zinc/06/12/62/179061262.db2.gz DQOOBXNIZDDZBT-STQMWFEESA-N 1 0 250.390 2.038 10 0 CEAERO Cc1ccc(-c2ccc(N3CC[C@@H]([NH3+])C3)nn2)c(C)c1 ZINC000062202245 362714117 /nfs/dbraw/zinc/71/41/17/362714117.db2.gz NNRRNNJIDKICGA-CYBMUJFWSA-N 1 0 268.364 2.298 10 0 CEAERO CCC[C@@H]1CN(CCOC(C)C)[C@H](C2CC2)C[NH2+]1 ZINC000085455298 179068191 /nfs/dbraw/zinc/06/81/91/179068191.db2.gz IQJHRSHMYPIZSO-CABCVRRESA-N 1 0 254.418 2.264 10 0 CEAERO CC(C)C[C@@H]1C[NH2+][C@H](C(C)C)CN1[C@@H]1CCOC1 ZINC000085466931 179072287 /nfs/dbraw/zinc/07/22/87/179072287.db2.gz QQZBKAJSBBVGAP-KFWWJZLASA-N 1 0 254.418 2.120 10 0 CEAERO CC(C)[C@@H]1CN(CC(F)(F)F)[C@H](C2CC2)C[NH2+]1 ZINC000085467152 179072605 /nfs/dbraw/zinc/07/26/05/179072605.db2.gz VKCLDSSMUDWXFM-QWRGUYRKSA-N 1 0 250.308 2.257 10 0 CEAERO COCCC[N@@H+]1C[C@@H](C(C)C)NC[C@@H]1CC(C)C ZINC000085466844 179072629 /nfs/dbraw/zinc/07/26/29/179072629.db2.gz VTZTXGWDHFHCGR-GJZGRUSLSA-N 1 0 256.434 2.367 10 0 CEAERO C[C@H]1C[NH2+]C(C)(C)CN1CCCOCC(F)(F)F ZINC000085468942 179073851 /nfs/dbraw/zinc/07/38/51/179073851.db2.gz OZXDGXPDKCMVDD-JTQLQIEISA-N 1 0 268.323 2.028 10 0 CEAERO CC[C@@H](C)n1ccc(CN2CC[NH2+]C[C@@H]2C(C)C)n1 ZINC000085451194 179065284 /nfs/dbraw/zinc/06/52/84/179065284.db2.gz DZJJEXDATVSZAZ-UKRRQHHQSA-N 1 0 264.417 2.284 10 0 CEAERO CCC[C@@H]1CN[C@@H](C(C)C)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085450853 179065635 /nfs/dbraw/zinc/06/56/35/179065635.db2.gz CAPZPRMJOHJYAX-RRFJBIMHSA-N 1 0 254.418 2.121 10 0 CEAERO CCC[C@@H]1CN[C@H](C)C[N@@H+]1CCCOCC(F)(F)F ZINC000085453518 179067117 /nfs/dbraw/zinc/06/71/17/179067117.db2.gz URHJHHYWVNAVSJ-VXGBXAGGSA-N 1 0 282.350 2.418 10 0 CEAERO C[C@H]1CN(CCOCC(F)(F)F)[C@H](C(C)(C)C)C[NH2+]1 ZINC000085454737 179067758 /nfs/dbraw/zinc/06/77/58/179067758.db2.gz WEOFFRGAYVKBQO-QWRGUYRKSA-N 1 0 282.350 2.274 10 0 CEAERO CCC[C@@H]1C[N@H+](C[C@@H]2CCOC2)[C@@H](CCC)CN1 ZINC000085455161 179067829 /nfs/dbraw/zinc/06/78/29/179067829.db2.gz ZKQNOZOHLSEDJJ-ZNMIVQPWSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@H]1CN(Cc2cccc(OC)n2)[C@@H](CC)C[NH2+]1 ZINC000085472283 179077522 /nfs/dbraw/zinc/07/75/22/179077522.db2.gz MJPFBBBNGQDEGL-JSGCOSHPSA-N 1 0 263.385 2.053 10 0 CEAERO CC[C@H]1CN(Cc2cnn(C)c2)C(CC)(CC)C[NH2+]1 ZINC000085474768 179078761 /nfs/dbraw/zinc/07/87/61/179078761.db2.gz MBRSVYLDOCMNQQ-AWEZNQCLSA-N 1 0 264.417 2.163 10 0 CEAERO CC[C@@H](C)[C@@H]1C[N@H+](CCCOC)[C@H](C(C)C)CN1 ZINC000085491317 179081175 /nfs/dbraw/zinc/08/11/75/179081175.db2.gz PXWPYDOWLPJMFW-ILXRZTDVSA-N 1 0 256.434 2.367 10 0 CEAERO CC(C)C[C@H]1C[N@H+](C[C@@H]2CCOC2)[C@H](C(C)C)CN1 ZINC000085487809 179081230 /nfs/dbraw/zinc/08/12/30/179081230.db2.gz JNIUDBZOPWWIQW-JYJNAYRXSA-N 1 0 268.445 2.367 10 0 CEAERO CC[C@H](C)[C@H]1CNC(C)(C)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085470331 179075159 /nfs/dbraw/zinc/07/51/59/179075159.db2.gz MTRMFCQVGKNLBB-MELADBBJSA-N 1 0 254.418 2.121 10 0 CEAERO [NH3+]Cc1c[nH]c(-c2cccc(Br)c2)n1 ZINC000062820806 362724288 /nfs/dbraw/zinc/72/42/88/362724288.db2.gz QWNXSRIKTKPAJL-UHFFFAOYSA-N 1 0 252.115 2.298 10 0 CEAERO CC1(C)CN(CCOCC(F)(F)F)[C@@H](C2CC2)C[NH2+]1 ZINC000085470569 179076433 /nfs/dbraw/zinc/07/64/33/179076433.db2.gz IGJPIWCJYFJWGD-LLVKDONJSA-N 1 0 280.334 2.028 10 0 CEAERO CCC[C@@H]1C[NH2+][C@H](CC)CN1CCn1ccnc1C ZINC000085472657 179076869 /nfs/dbraw/zinc/07/68/69/179076869.db2.gz ZZKZQVDRYQARBI-HUUCEWRRSA-N 1 0 264.417 2.044 10 0 CEAERO COCC[N@@H+]1C[C@@H](c2ccccc2)NC[C@@]1(C)C1CC1 ZINC000085508600 179085284 /nfs/dbraw/zinc/08/52/84/179085284.db2.gz UFHGSXQGQAEYHB-IRXDYDNUSA-N 1 0 274.408 2.448 10 0 CEAERO C[C@H]1C[NH2+][C@@](C)(C2CC2)CN1CCC(F)(F)F ZINC000085509140 179085293 /nfs/dbraw/zinc/08/52/93/179085293.db2.gz KMLMJTDEHSOBHE-GXSJLCMTSA-N 1 0 250.308 2.401 10 0 CEAERO CCC[C@H]1CN[C@@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085511811 179085511 /nfs/dbraw/zinc/08/55/11/179085511.db2.gz XPYBQEBGZODJSE-CWRNSKLLSA-N 1 0 266.429 2.266 10 0 CEAERO CC1(C)CN[C@H](c2ccccc2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085507675 179085659 /nfs/dbraw/zinc/08/56/59/179085659.db2.gz SDCCDUNJNHXLBS-HOCLYGCPSA-N 1 0 274.408 2.448 10 0 CEAERO CCC[C@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1ncccn1 ZINC000085511405 179086040 /nfs/dbraw/zinc/08/60/40/179086040.db2.gz RYKNOVWUQYIVDS-HOCLYGCPSA-N 1 0 274.412 2.219 10 0 CEAERO COCC[N@@H+]1C[C@@](C)(C2CC2)NC[C@@H]1CC(C)C ZINC000085513396 179086872 /nfs/dbraw/zinc/08/68/72/179086872.db2.gz RHHDFHQLCMCNHR-GJZGRUSLSA-N 1 0 254.418 2.121 10 0 CEAERO C[C@@H]1C[NH2+][C@H](C2CC2)CN1CCCOCC(F)(F)F ZINC000085521729 179087917 /nfs/dbraw/zinc/08/79/17/179087917.db2.gz IYSZODBRLAGRHO-PWSUYJOCSA-N 1 0 280.334 2.028 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@H](C2CC2)CN1CC(F)(F)F ZINC000085524572 179088536 /nfs/dbraw/zinc/08/85/36/179088536.db2.gz NBIAVMXCYQKICU-QWRGUYRKSA-N 1 0 250.308 2.257 10 0 CEAERO CC(C)OCCN1C[C@@H](c2ccccc2)[NH2+]C[C@@H]1C ZINC000085504269 179084060 /nfs/dbraw/zinc/08/40/60/179084060.db2.gz HPWHKHKKJUBHLU-HOCLYGCPSA-N 1 0 262.397 2.446 10 0 CEAERO C[C@H]1CN[C@H](c2ccccc2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085504885 179084578 /nfs/dbraw/zinc/08/45/78/179084578.db2.gz NSOUFXSXWUXIBW-DZKIICNBSA-N 1 0 260.381 2.058 10 0 CEAERO c1ccc([C@@H]2CN[C@H](C3CC3)C[N@H+]2C[C@@H]2CCOC2)cc1 ZINC000085527298 179089451 /nfs/dbraw/zinc/08/94/51/179089451.db2.gz HXYNDCVSUAEHEF-WBAXXEDZSA-N 1 0 286.419 2.448 10 0 CEAERO CC(C)(C)[C@@H]1CN[C@@H](C2CC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085527016 179089690 /nfs/dbraw/zinc/08/96/90/179089690.db2.gz UEYIPJKLPVJXMK-CFVMTHIKSA-N 1 0 266.429 2.121 10 0 CEAERO CO[C@H]1CCC[C@@H]([N@@H+]2C[C@H](C3CC3)NC[C@@H]2C2CC2)C1 ZINC000085526403 179089855 /nfs/dbraw/zinc/08/98/55/179089855.db2.gz WHDBDNFQKUYSAA-YYIAUSFCSA-N 1 0 278.440 2.406 10 0 CEAERO COCCC[N@@H+]1C[C@H](C2CC2)NC[C@@H]1CC(C)C ZINC000085525566 179089945 /nfs/dbraw/zinc/08/99/45/179089945.db2.gz YBGOPFVOBUMKHG-LSDHHAIUSA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@@H]1CN[C@](C)(c2ccccc2)C[N@@H+]1[C@@H]1CCOC1 ZINC000085531926 179091432 /nfs/dbraw/zinc/09/14/32/179091432.db2.gz GYDQDCJRCSZANK-ZACQAIPSSA-N 1 0 274.408 2.375 10 0 CEAERO C[C@@H]([NH3+])c1nc(CN2CCSC[C@@H]2C)cs1 ZINC000085550513 179093189 /nfs/dbraw/zinc/09/31/89/179093189.db2.gz DKJNYCCJJGNFOD-DTWKUNHWSA-N 1 0 257.428 2.100 10 0 CEAERO C[C@@H]([NH2+][C@@H](CO)c1ccccc1)C(=O)Nc1ccccc1 ZINC000063002694 362740621 /nfs/dbraw/zinc/74/06/21/362740621.db2.gz DQXQHTMDPHFBGP-CJNGLKHVSA-N 1 0 284.359 2.337 10 0 CEAERO CCCc1nc2c(n1CCOCC(F)(F)F)CC[NH2+]C2 ZINC000085571767 179097276 /nfs/dbraw/zinc/09/72/76/179097276.db2.gz SEXUSZORUFDRRJ-UHFFFAOYSA-N 1 0 291.317 2.060 10 0 CEAERO FC(F)CN1CCC[NH2+][C@@H](Cc2ccccc2)C1 ZINC000085608621 179101236 /nfs/dbraw/zinc/10/12/36/179101236.db2.gz YQVOZHCOZZFCEF-ZDUSSCGKSA-N 1 0 254.324 2.158 10 0 CEAERO CCOCCN1CCC[NH2+][C@@H](C2CCCCC2)C1 ZINC000085614913 179104556 /nfs/dbraw/zinc/10/45/56/179104556.db2.gz QEFQHJAOPGNQAH-OAHLLOKOSA-N 1 0 254.418 2.267 10 0 CEAERO CCO[C@H]1C[C@H]([NH2+][C@@H](C)CN2CCCC2=O)C12CCCC2 ZINC000085680137 179113211 /nfs/dbraw/zinc/11/32/11/179113211.db2.gz UAUZXECZVRFYHL-KKUMJFAQSA-N 1 0 294.439 2.325 10 0 CEAERO CCOc1cc2c(cc1CC[NH2+]CCOC)O[C@@H](C)C2 ZINC000085697099 179115796 /nfs/dbraw/zinc/11/57/96/179115796.db2.gz SAWVCPOZKFEMCF-LBPRGKRZSA-N 1 0 279.380 2.187 10 0 CEAERO Cc1cc(Cl)cc(C[NH2+]C[C@H]2CN(C)CCO2)c1 ZINC000339228987 215027675 /nfs/dbraw/zinc/02/76/75/215027675.db2.gz GAXXWWQHOUCPPE-AWEZNQCLSA-N 1 0 268.788 2.069 10 0 CEAERO [NH3+]Cc1c[nH]c(-c2cc(F)cc(Br)c2)n1 ZINC000085634096 179108492 /nfs/dbraw/zinc/10/84/92/179108492.db2.gz HENHAYIIWGWOGL-UHFFFAOYSA-N 1 0 270.105 2.437 10 0 CEAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085635102 179109385 /nfs/dbraw/zinc/10/93/85/179109385.db2.gz GAZGCZJUZIMFOE-BARDWOONSA-N 1 0 268.445 2.366 10 0 CEAERO Cc1ncc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C2(C)C)s1 ZINC000085636580 179109824 /nfs/dbraw/zinc/10/98/24/179109824.db2.gz LQEVHUWJWRULQN-WOPDTQHZSA-N 1 0 252.383 2.355 10 0 CEAERO CC[NH2+][C@H](CN)c1ccc(Br)c(C)c1 ZINC000085707139 179121969 /nfs/dbraw/zinc/12/19/69/179121969.db2.gz QYKWWPXMPWCOFI-LLVKDONJSA-N 1 0 257.175 2.367 10 0 CEAERO CC[NH2+][C@@H](CO)c1ccc(Br)c(C)c1 ZINC000085708038 179122839 /nfs/dbraw/zinc/12/28/39/179122839.db2.gz JLPHTICYTOWYHY-NSHDSACASA-N 1 0 258.159 2.400 10 0 CEAERO CC[NH2+][C@@H](Cc1ccccc1)C(C)(C)N1CCOCC1 ZINC000085742480 179137633 /nfs/dbraw/zinc/13/76/33/179137633.db2.gz UAEOMPRWVVBAJO-INIZCTEOSA-N 1 0 276.424 2.318 10 0 CEAERO CC[NH2+][C@@H](C)[C@H]1CCCCN1c1ncnc2c1CCC2 ZINC000111718446 136563957 /nfs/dbraw/zinc/56/39/57/136563957.db2.gz QXOZFYRERDBESQ-SWLSCSKDSA-N 1 0 274.412 2.322 10 0 CEAERO CS[C@H](C)CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000129366751 365850564 /nfs/dbraw/zinc/85/05/64/365850564.db2.gz JWDWNQFVRXXQQX-OCCSQVGLSA-N 1 0 280.437 2.027 10 0 CEAERO [NH3+]Cc1ccccc1NC(=O)c1ccc(Cl)cn1 ZINC000085810141 179177773 /nfs/dbraw/zinc/17/77/73/179177773.db2.gz DITNBONNTARNAS-UHFFFAOYSA-N 1 0 261.712 2.446 10 0 CEAERO CCn1c([C@]2([NH3+])CCOC2)nc2cccc(Cl)c21 ZINC000085849730 179187504 /nfs/dbraw/zinc/18/75/04/179187504.db2.gz ADMBOUGVDCGVJC-ZDUSSCGKSA-N 1 0 265.744 2.284 10 0 CEAERO CC[C@H](NC(=O)[C@]1([NH3+])CCOC1)c1cccc(Cl)c1 ZINC000085870218 179192864 /nfs/dbraw/zinc/19/28/64/179192864.db2.gz OHOGLWYXHYZDNM-JSGCOSHPSA-N 1 0 282.771 2.025 10 0 CEAERO [NH3+][C@]1(C(=O)N2CCC[C@H]2c2cccc(Cl)c2)CCOC1 ZINC000085877831 179194833 /nfs/dbraw/zinc/19/48/33/179194833.db2.gz HFHQZJRUGBFHBD-DZGCQCFKSA-N 1 0 294.782 2.121 10 0 CEAERO CCCCCN(CCCCC)C(=O)[C@@]1([NH3+])CCOC1 ZINC000085877539 179195486 /nfs/dbraw/zinc/19/54/86/179195486.db2.gz GRWMIUCAFXZDRB-OAHLLOKOSA-N 1 0 270.417 2.313 10 0 CEAERO Cc1cc(C)nc(NC[C@@H](c2ccccn2)[NH+](C)C)n1 ZINC000065380253 362812659 /nfs/dbraw/zinc/81/26/59/362812659.db2.gz CXLRBSZBOBVUKU-AWEZNQCLSA-N 1 0 271.368 2.203 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1CNC(=O)[C@@H]1CCOc2ccccc21 ZINC000085965786 179205352 /nfs/dbraw/zinc/20/53/52/179205352.db2.gz UYLJGFGBRLNCBF-CFVMTHIKSA-N 1 0 288.391 2.186 10 0 CEAERO COC(=O)c1ccc(C[NH2+]C[C@H]2CCCC[C@H]2O)cc1 ZINC000085964638 179205592 /nfs/dbraw/zinc/20/55/92/179205592.db2.gz QXCSDMNDMDPQCR-HUUCEWRRSA-N 1 0 277.364 2.114 10 0 CEAERO Cc1ccc(F)c(C(=O)NC[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000085964069 179205609 /nfs/dbraw/zinc/20/56/09/179205609.db2.gz QFWAYCLFZOBZAP-RISCZKNCSA-N 1 0 264.344 2.381 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1CNC(=O)c1nccc2ccccc21 ZINC000085967630 179205934 /nfs/dbraw/zinc/20/59/34/179205934.db2.gz DDVXCBLJOYGZEN-DZGCQCFKSA-N 1 0 283.375 2.482 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1CNC(=O)c1cccc2ncccc21 ZINC000085966441 179205939 /nfs/dbraw/zinc/20/59/39/179205939.db2.gz ISDXHALSOZCSHJ-DOMZBBRYSA-N 1 0 283.375 2.482 10 0 CEAERO C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc(NC(N)=O)cc1 ZINC000085978077 179208445 /nfs/dbraw/zinc/20/84/45/179208445.db2.gz GQRCLVFTILEREO-KYOSRNDESA-N 1 0 291.395 2.379 10 0 CEAERO CS(=O)(=O)c1ccc(NC[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000085973963 179207695 /nfs/dbraw/zinc/20/76/95/179207695.db2.gz IKOHRLVVNMQLDN-SMDDNHRTSA-N 1 0 282.409 2.020 10 0 CEAERO CCCOc1cncc(NC[C@H]2CCCC[C@@H]2[NH3+])n1 ZINC000085975463 179208081 /nfs/dbraw/zinc/20/80/81/179208081.db2.gz PLANPDBPYZRQRL-NEPJUHHUSA-N 1 0 264.373 2.195 10 0 CEAERO [NH3+][C@@]1(CN2CCC3(CCCCC3)CC2)CCOC1 ZINC000085915011 179197730 /nfs/dbraw/zinc/19/77/30/179197730.db2.gz MNUGFSAUVKSSRD-OAHLLOKOSA-N 1 0 252.402 2.151 10 0 CEAERO CCC[NH2+][C@@H](CCO)Cn1c(CC)nc2ccccc21 ZINC000085923451 179201611 /nfs/dbraw/zinc/20/16/11/179201611.db2.gz XDASIAHBAONHMH-ZDUSSCGKSA-N 1 0 275.396 2.349 10 0 CEAERO CCC[NH2+][C@@H](CCO)CSc1ccc(NC(C)=O)cc1 ZINC000085928893 179202644 /nfs/dbraw/zinc/20/26/44/179202644.db2.gz ZBBUXYONFANYBU-AWEZNQCLSA-N 1 0 296.436 2.488 10 0 CEAERO O=c1[nH]c([NH2+]C[C@@H]2CCCC[C@H]2O)cc2ccccc21 ZINC000086015669 179215814 /nfs/dbraw/zinc/21/58/14/179215814.db2.gz YPMNCTANISMZLW-GXTWGEPZSA-N 1 0 272.348 2.491 10 0 CEAERO CCC[NH2+][C@H]1CC[C@@H](S(=O)(=O)CC(C)C)[C@@H]1C ZINC000086040937 179222471 /nfs/dbraw/zinc/22/24/71/179222471.db2.gz SVBPRDBTKSYJMU-FRRDWIJNSA-N 1 0 261.431 2.224 10 0 CEAERO C[NH2+][C@@H]1CC[C@H](Sc2nnnn2-c2ccccc2)[C@@H]1C ZINC000086044931 179222814 /nfs/dbraw/zinc/22/28/14/179222814.db2.gz OAHOJKPMKVDDHH-RTXFEEFZSA-N 1 0 289.408 2.141 10 0 CEAERO C[NH2+][C@H]1CC[C@H](Sc2nnc(N(C)C)s2)[C@@H]1C ZINC000086043733 179223244 /nfs/dbraw/zinc/22/32/44/179223244.db2.gz KTTIORWLRWKMBO-VGMNWLOBSA-N 1 0 272.443 2.083 10 0 CEAERO C[C@@H]1[C@@H](C)CC[C@@H]1[NH2+][C@@H]1CC(=O)N(C2CCCC2)C1=O ZINC000086075216 179225081 /nfs/dbraw/zinc/22/50/81/179225081.db2.gz TXUOQGDTFIYTPP-UZGDPCLZSA-N 1 0 278.396 2.081 10 0 CEAERO C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)[C@@H]1C ZINC000086075560 179225806 /nfs/dbraw/zinc/22/58/06/179225806.db2.gz YGRIWPYMIZZYMG-UMBPPFEGSA-N 1 0 264.413 2.458 10 0 CEAERO CCC1(C(=O)N[C@@H]2CC[C@H](C)[C@@H]2C)CC[NH2+]CC1 ZINC000086076164 179225871 /nfs/dbraw/zinc/22/58/71/179225871.db2.gz UBLDZBSXEKIEQP-RWMBFGLXSA-N 1 0 252.402 2.317 10 0 CEAERO CCc1ccc(CC)c([C@@H]([NH3+])[C@@H]2CCS(=O)(=O)C2)c1 ZINC000086022890 179218388 /nfs/dbraw/zinc/21/83/88/179218388.db2.gz AKHPKCVPLBNPMQ-HIFRSBDPSA-N 1 0 281.421 2.246 10 0 CEAERO CCC[NH2+][C@@H](Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000086025866 179219204 /nfs/dbraw/zinc/21/92/04/179219204.db2.gz SONTXSBLLBUCHH-YPMHNXCESA-N 1 0 287.450 2.094 10 0 CEAERO [NH3+][C@H](Cc1cccc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000086025200 179219281 /nfs/dbraw/zinc/21/92/81/179219281.db2.gz SUOXMFZUBRIYDB-GDBMZVCRSA-N 1 0 289.400 2.144 10 0 CEAERO C[C@H]1[C@H]([NH3+])CC[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000086040323 179222233 /nfs/dbraw/zinc/22/22/33/179222233.db2.gz PXCMFCQIHBFCLC-AXTRIDKLSA-N 1 0 273.785 2.240 10 0 CEAERO c1ccc([C@@H]2C[N@H+](CCc3ccncc3)CCN2)cc1 ZINC000086142003 179237314 /nfs/dbraw/zinc/23/73/14/179237314.db2.gz VXXVRCOBMYEIBL-KRWDZBQOSA-N 1 0 267.376 2.271 10 0 CEAERO c1coc(CCN2CC[NH2+][C@@H](Cc3ccccc3)C2)c1 ZINC000086142808 179238054 /nfs/dbraw/zinc/23/80/54/179238054.db2.gz MYBPLLKQHHTBSQ-INIZCTEOSA-N 1 0 270.376 2.339 10 0 CEAERO CC[C@H]1CC[C@H]([NH2+][C@@H](C)C(=O)N2CCCC2)[C@@H]1C ZINC000086096947 179229394 /nfs/dbraw/zinc/22/93/94/179229394.db2.gz WDJKRSPRUPWHKO-RFGFWPKPSA-N 1 0 252.402 2.412 10 0 CEAERO CC(C)(C)[C@H]1CN(C[C@@H]2Cc3ccccc3O2)CC[NH2+]1 ZINC000086146990 179240062 /nfs/dbraw/zinc/24/00/62/179240062.db2.gz IAKMPUKPJUPPBF-GOEBONIOSA-N 1 0 274.408 2.310 10 0 CEAERO c1ccc2c(c1)CC[C@@H]([N@H+]1CCN[C@H](C3CC3)C1)C2 ZINC000086147175 179240082 /nfs/dbraw/zinc/24/00/82/179240082.db2.gz PTRBKVCJWNVYNX-SJORKVTESA-N 1 0 256.393 2.228 10 0 CEAERO Cc1ncccc1C[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000128527251 187375751 /nfs/dbraw/zinc/37/57/51/187375751.db2.gz YXALCGUYNQPMLT-CQSZACIVSA-N 1 0 256.353 2.113 10 0 CEAERO CC(C)[C@@H]1C[N@H+](C2CCOCC2)[C@H](C(C)C)CN1 ZINC000086154452 179241587 /nfs/dbraw/zinc/24/15/87/179241587.db2.gz PUHHMPPOLANDGF-GJZGRUSLSA-N 1 0 254.418 2.120 10 0 CEAERO CC[C@H]1CN[C@@H](C(C)C)C[N@@H+]1[C@@H]1CCC[C@@H]1OC ZINC000086174368 179245259 /nfs/dbraw/zinc/24/52/59/179245259.db2.gz FLPBHLWQBGVHBA-YJNKXOJESA-N 1 0 254.418 2.262 10 0 CEAERO COC[C@H](C)C[N@@H+]1C[C@H](C(C)C)NC[C@@H]1C(C)C ZINC000086174276 179245727 /nfs/dbraw/zinc/24/57/27/179245727.db2.gz WDMCCLWLHHAHEP-RBSFLKMASA-N 1 0 256.434 2.223 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C(C)C)CN1Cc1cc(C)no1 ZINC000086174063 179245789 /nfs/dbraw/zinc/24/57/89/179245789.db2.gz OBLVLMUJKQOVMF-OCCSQVGLSA-N 1 0 251.374 2.191 10 0 CEAERO C1=C[C@@H]([N@@H+]2CC[C@@H](N3CCOCC3)C2)CCCCC1 ZINC000606432037 347471341 /nfs/dbraw/zinc/47/13/41/347471341.db2.gz PGDCOUZNZRTYST-HZPDHXFCSA-N 1 0 264.413 2.282 10 0 CEAERO CC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2C=CCCCCC2)C1 ZINC000606432939 347471522 /nfs/dbraw/zinc/47/15/22/347471522.db2.gz ZDCJPRGLZKASEI-HUUCEWRRSA-N 1 0 250.386 2.476 10 0 CEAERO CC[C@@H]1CN[C@H](c2ccccc2)C[N@@H+]1[C@@H](C)COC ZINC000086179963 179246674 /nfs/dbraw/zinc/24/66/74/179246674.db2.gz CSTGADLCIBNKKT-IMJJTQAJSA-N 1 0 262.397 2.446 10 0 CEAERO Cc1cccc(CN2CC[NH2+][C@@H](Cc3ccccc3)C2)n1 ZINC000086147055 179239807 /nfs/dbraw/zinc/23/98/07/179239807.db2.gz RUUYUUZITBRQIW-SFHVURJKSA-N 1 0 281.403 2.407 10 0 CEAERO Cn1cc(N2C[C@@H](C3CC3)[NH2+]C[C@@H]2c2ccccc2)cn1 ZINC000086218321 179249364 /nfs/dbraw/zinc/24/93/64/179249364.db2.gz NMQHARJLQWPAIA-DLBZAZTESA-N 1 0 282.391 2.350 10 0 CEAERO CC[C@@H]1C[NH2+]C(CC)(CC)CN1c1cnn(C)c1 ZINC000086218288 179249367 /nfs/dbraw/zinc/24/93/67/179249367.db2.gz UIQBJDSDBGOWCR-GFCCVEGCSA-N 1 0 250.390 2.167 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC(C)C)CN1c1cnn(C)c1 ZINC000086218374 179249556 /nfs/dbraw/zinc/24/95/56/179249556.db2.gz SDHFEWFQRQTMER-QWHCGFSZSA-N 1 0 250.390 2.023 10 0 CEAERO C[C@@H]1CN[C@@H](C2CCCCC2)C[N@@H+]1C1CCOCC1 ZINC000086218798 179250708 /nfs/dbraw/zinc/25/07/08/179250708.db2.gz TUPNDUKOIQQILN-CZUORRHYSA-N 1 0 266.429 2.408 10 0 CEAERO CC(C)[C@H]1C[NH2+]C2(CCCCC2)CN1C[C@@H]1COCCO1 ZINC000086223687 179252481 /nfs/dbraw/zinc/25/24/81/179252481.db2.gz HUMSJMNTDZSWFW-HZPDHXFCSA-N 1 0 296.455 2.035 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C2CC2)CN1Cc1nc(C)cs1 ZINC000086227045 179252985 /nfs/dbraw/zinc/25/29/85/179252985.db2.gz DJODIWHYSVBUCR-STQMWFEESA-N 1 0 265.426 2.414 10 0 CEAERO C[C@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1nccs1 ZINC000086226821 179253662 /nfs/dbraw/zinc/25/36/62/179253662.db2.gz JWYBIDPQQAMLDM-GXFFZTMASA-N 1 0 251.399 2.106 10 0 CEAERO CCC[C@@H]1CN(c2cnn(CCOC)c2)[C@H](C(C)C)C[NH2+]1 ZINC000086227276 179254228 /nfs/dbraw/zinc/25/42/28/179254228.db2.gz HPROTNUUDWVYKM-ZBFHGGJFSA-N 1 0 294.443 2.132 10 0 CEAERO C[C@H]1C[NH2+][C@@H](C2CC2)CN1CCc1ccc(F)cc1 ZINC000086180938 179247705 /nfs/dbraw/zinc/24/77/05/179247705.db2.gz FWHFKQDAJJZSLB-BLLLJJGKSA-N 1 0 262.372 2.441 10 0 CEAERO CC[C@H]1CN(Cc2cc(C)on2)[C@H](C(C)C)C[NH2+]1 ZINC000086259830 179259181 /nfs/dbraw/zinc/25/91/81/179259181.db2.gz AVHAJVBKQFNDKF-JSGCOSHPSA-N 1 0 251.374 2.191 10 0 CEAERO Brc1csc(NC[C@H]2CCCC[NH2+]2)n1 ZINC000086290633 179265446 /nfs/dbraw/zinc/26/54/46/179265446.db2.gz PGAWGHKQCXWITO-SSDOTTSWSA-N 1 0 276.203 2.460 10 0 CEAERO Cc1cnc(CN2C[C@@H](c3ccccc3)[NH2+]C[C@@H]2C)cn1 ZINC000086263052 179259703 /nfs/dbraw/zinc/25/97/03/179259703.db2.gz CCDAZSIWPXBQJS-YOEHRIQHSA-N 1 0 282.391 2.320 10 0 CEAERO CC[C@@H]1CN[C@](C)(CC)C[N@@H+]1[C@@H]1CCC[C@@H]1OC ZINC000086261359 179260004 /nfs/dbraw/zinc/26/00/04/179260004.db2.gz JBFDCTUIJSLFOV-APIJFGDWSA-N 1 0 254.418 2.406 10 0 CEAERO CC[C@H]1CN(Cc2ccc(OC)nc2)[C@H](C(C)C)C[NH2+]1 ZINC000086263930 179260914 /nfs/dbraw/zinc/26/09/14/179260914.db2.gz KACBRSVFHUYPNR-GJZGRUSLSA-N 1 0 277.412 2.299 10 0 CEAERO CC(C)[C@H]1C[NH2+]C2(CCCC2)CN1Cc1nccn1C ZINC000086264888 179261106 /nfs/dbraw/zinc/26/11/06/179261106.db2.gz MOHNZKXTWXFEPY-CQSZACIVSA-N 1 0 276.428 2.163 10 0 CEAERO Cc1csc(CCN2C[C@](C)(C3CC3)[NH2+]C[C@@H]2C)n1 ZINC000086264204 179261179 /nfs/dbraw/zinc/26/11/79/179261179.db2.gz DGAJQUROHONIJN-SWLSCSKDSA-N 1 0 279.453 2.456 10 0 CEAERO CC[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1ccnc(OC)c1 ZINC000086263811 179261253 /nfs/dbraw/zinc/26/12/53/179261253.db2.gz KJWWFKRFJZNXDH-NVXWUHKLSA-N 1 0 289.423 2.443 10 0 CEAERO CCC1(CC)CN(Cc2ccnc(OC)c2)[C@@H](C)C[NH2+]1 ZINC000086263848 179261268 /nfs/dbraw/zinc/26/12/68/179261268.db2.gz BZEQRVAUMXXUKB-ZDUSSCGKSA-N 1 0 277.412 2.443 10 0 CEAERO CC[C@]1(C)CN(Cc2nccn2C)[C@H](C(C)C)C[NH2+]1 ZINC000086264799 179261290 /nfs/dbraw/zinc/26/12/90/179261290.db2.gz HRKVPQDIOKFHTM-DZGCQCFKSA-N 1 0 264.417 2.019 10 0 CEAERO CC[C@H]1C[NH2+][C@@](C)(CC)CN1Cc1ccc(OC)nc1 ZINC000086263918 179261360 /nfs/dbraw/zinc/26/13/60/179261360.db2.gz QABPPKNSOORVTO-HOCLYGCPSA-N 1 0 277.412 2.443 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C2CC2)CN1Cc1ncccc1C ZINC000086264929 179261404 /nfs/dbraw/zinc/26/14/04/179261404.db2.gz PWZSEQTVVPEYQA-GDBMZVCRSA-N 1 0 259.397 2.352 10 0 CEAERO C[C@@H](CNc1nc(Br)cs1)[NH+](C)C ZINC000086279112 179263073 /nfs/dbraw/zinc/26/30/73/179263073.db2.gz MVIZEHKQXLWTJO-LURJTMIESA-N 1 0 264.192 2.268 10 0 CEAERO CCC1(CC)CN(Cc2nccs2)CCC[NH2+]1 ZINC000086289989 179264191 /nfs/dbraw/zinc/26/41/91/179264191.db2.gz UMCJNRCHTULGNH-UHFFFAOYSA-N 1 0 253.415 2.497 10 0 CEAERO c1nnc(CCC[NH2+]Cc2ccc3ccccc3n2)[nH]1 ZINC000086317748 179270552 /nfs/dbraw/zinc/27/05/52/179270552.db2.gz RQORJFQJHXRNLN-UHFFFAOYSA-N 1 0 267.336 2.075 10 0 CEAERO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2CO)c(F)c1 ZINC000231311346 539567063 /nfs/dbraw/zinc/56/70/63/539567063.db2.gz PXROSVRJQSJLIV-IUODEOHRSA-N 1 0 267.344 2.475 10 0 CEAERO COCCn1cc(N2CCC[NH2+]C3(CCCCC3)C2)cn1 ZINC000086290193 179265753 /nfs/dbraw/zinc/26/57/53/179265753.db2.gz RGROZIXFTAVKKF-UHFFFAOYSA-N 1 0 292.427 2.032 10 0 CEAERO Cc1cc(CN2CCC[NH2+][C@@H](Cc3ccccc3)C2)on1 ZINC000086292712 179266080 /nfs/dbraw/zinc/26/60/80/179266080.db2.gz ZKLPEAYCEPRNTH-INIZCTEOSA-N 1 0 285.391 2.390 10 0 CEAERO CC[C@@H](COC)[N@@H+]1CCCN[C@H](c2ccccc2)C1 ZINC000086299514 179269163 /nfs/dbraw/zinc/26/91/63/179269163.db2.gz CZSLGXSSYLTFJK-HOTGVXAUSA-N 1 0 262.397 2.448 10 0 CEAERO [NH3+]CC[C@@H]1CN(C(=O)c2ccncc2F)c2ccccc21 ZINC000086316771 179269964 /nfs/dbraw/zinc/26/99/64/179269964.db2.gz YHXCQUVIOJXKSZ-LLVKDONJSA-N 1 0 285.322 2.314 10 0 CEAERO COC[C@H](C)N(C)[C@@H](C[NH3+])c1cc(Cl)cs1 ZINC000086333296 179273484 /nfs/dbraw/zinc/27/34/84/179273484.db2.gz OIWLUWLMVOCCLE-WPRPVWTQSA-N 1 0 262.806 2.368 10 0 CEAERO CCC[NH2+][C@@H]1CCCc2sc(N3CCOCC3)nc21 ZINC000086442116 179293558 /nfs/dbraw/zinc/29/35/58/179293558.db2.gz RZYZLYHNAUZKFX-LLVKDONJSA-N 1 0 281.425 2.357 10 0 CEAERO CN(CCc1cccs1)c1ncc(C[NH3+])s1 ZINC000086441892 179293696 /nfs/dbraw/zinc/29/36/96/179293696.db2.gz GCAKWSPXHVGCKB-UHFFFAOYSA-N 1 0 253.396 2.342 10 0 CEAERO CC1(C)COCCN1c1nc2c(s1)CCC[C@H]2[NH3+] ZINC000086443852 179294200 /nfs/dbraw/zinc/29/42/00/179294200.db2.gz ZERYTIWYMGYFII-SECBINFHSA-N 1 0 267.398 2.094 10 0 CEAERO Cn1cc(C[NH3+])c(-c2ccc(Br)s2)n1 ZINC000086443074 179294217 /nfs/dbraw/zinc/29/42/17/179294217.db2.gz OAXOGIQNUMJLFY-UHFFFAOYSA-N 1 0 272.171 2.370 10 0 CEAERO CC[C@@H]1CN(Cc2ccc(O)c(OC)c2)[C@@H](CC)C[NH2+]1 ZINC000086445267 179295073 /nfs/dbraw/zinc/29/50/73/179295073.db2.gz SFKHVSHMJKREAA-KGLIPLIRSA-N 1 0 278.396 2.363 10 0 CEAERO CC[C@@H]1CN(C(=O)c2cccc(C)c2O)[C@H](CC)C[NH2+]1 ZINC000086445983 179295146 /nfs/dbraw/zinc/29/51/46/179295146.db2.gz PQLAMFVHDIAWFR-CHWSQXEVSA-N 1 0 276.380 2.303 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)c1ccc(N(C)C)cc1 ZINC000086447892 179295784 /nfs/dbraw/zinc/29/57/84/179295784.db2.gz OFBXXLSWMAUKSU-LSDHHAIUSA-N 1 0 289.423 2.355 10 0 CEAERO [NH3+]Cc1c(F)cccc1-n1cc(Br)cn1 ZINC000086476551 179300548 /nfs/dbraw/zinc/30/05/48/179300548.db2.gz RXCQTCKMVPSEHK-UHFFFAOYSA-N 1 0 270.105 2.233 10 0 CEAERO [NH3+]CCCCCc1nc([C@@H]2Cc3ccccc32)no1 ZINC000086486323 179301993 /nfs/dbraw/zinc/30/19/93/179301993.db2.gz MJTOYDKHYXCDNO-CYBMUJFWSA-N 1 0 257.337 2.429 10 0 CEAERO Cc1nc([C@H]2Cc3ccccc32)nc(C)c1CC[NH3+] ZINC000086490826 179302330 /nfs/dbraw/zinc/30/23/30/179302330.db2.gz ADSZOBSPQAVLTP-HNNXBMFYSA-N 1 0 253.349 2.283 10 0 CEAERO CN1C(=[NH2+])NC[C@@]1(C)c1ccc(Cl)c(Cl)c1 ZINC000086458232 179296476 /nfs/dbraw/zinc/29/64/76/179296476.db2.gz KXGVMTBODYAKJR-NSHDSACASA-N 1 0 258.152 2.469 10 0 CEAERO CC[C@@H]1CN(Cc2cc(C)c(C(=O)OC)o2)[C@@H](CC)C[NH2+]1 ZINC000086463809 179296585 /nfs/dbraw/zinc/29/65/85/179296585.db2.gz VAAJNAZFUFEJGX-OLZOCXBDSA-N 1 0 294.395 2.337 10 0 CEAERO CC[C@H]1CN(Cc2csc(NC(C)=O)n2)[C@@H](CC)C[NH2+]1 ZINC000086464081 179296681 /nfs/dbraw/zinc/29/66/81/179296681.db2.gz NPSWXSBZMDCSNL-AAEUAGOBSA-N 1 0 296.440 2.064 10 0 CEAERO Cc1cccc(-c2nnc(CN3C[C@H](C)[NH2+]C[C@@H]3C)o2)c1 ZINC000086470415 179300038 /nfs/dbraw/zinc/30/00/38/179300038.db2.gz PGCSBPCDHQYCDK-STQMWFEESA-N 1 0 286.379 2.227 10 0 CEAERO CC[NH2+]C[C@@H](O)c1cscc1Br ZINC000086558329 179307718 /nfs/dbraw/zinc/30/77/18/179307718.db2.gz ZGVJHUQNJXLLQK-MRVPVSSYSA-N 1 0 250.161 2.154 10 0 CEAERO CC(C)c1ccc(C[C@H]([NH3+])[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000086566608 179308088 /nfs/dbraw/zinc/30/80/88/179308088.db2.gz OJWBXGGMGLHHPC-CABCVRRESA-N 1 0 281.421 2.115 10 0 CEAERO CCN1CCO[C@@H](C[NH3+])[C@@H]1c1ccc(OC)c(Cl)c1 ZINC000086584968 179309139 /nfs/dbraw/zinc/30/91/39/179309139.db2.gz XGFDQAJQEYGARP-KBPBESRZSA-N 1 0 284.787 2.069 10 0 CEAERO COc1ccc([C@H]2[C@@H](C[NH3+])CCN2C)cc1Cl ZINC000086584780 179309320 /nfs/dbraw/zinc/30/93/20/179309320.db2.gz NMHSFPWZQZWGGK-MFKMUULPSA-N 1 0 254.761 2.300 10 0 CEAERO [NH3+]Cc1ccc2c(c1)nc(-c1cc[nH]n1)n2C1CC1 ZINC000086641542 179314800 /nfs/dbraw/zinc/31/48/00/179314800.db2.gz NAWFYYNEMYEKQU-UHFFFAOYSA-N 1 0 253.309 2.220 10 0 CEAERO Cc1nc(SC[C@H]2CCC[NH2+]C2)nc(C)c1C ZINC000086644535 179316010 /nfs/dbraw/zinc/31/60/10/179316010.db2.gz MUWNJXNZXJPPND-LBPRGKRZSA-N 1 0 251.399 2.494 10 0 CEAERO Cc1nc(SCCCC[C@](C)([NH3+])CO)nc(C)c1C ZINC000086646907 179316570 /nfs/dbraw/zinc/31/65/70/179316570.db2.gz RXMABYKIOXFYQW-AWEZNQCLSA-N 1 0 283.441 2.374 10 0 CEAERO COC[C@@H](C)[NH2+]CCSc1nc(C)c(C)c(C)n1 ZINC000086645255 179316776 /nfs/dbraw/zinc/31/67/76/179316776.db2.gz CWOIMMAHUKYCSG-SECBINFHSA-N 1 0 269.414 2.118 10 0 CEAERO OC1([C@H]2CCc3ccccc3N2)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000086666853 179316905 /nfs/dbraw/zinc/31/69/05/179316905.db2.gz XXLMWWGDKNNJBP-XFDYKOMQSA-N 1 0 258.365 2.059 10 0 CEAERO CC[NH+]1CCC(O)([C@@H]2CCc3ccccc3N2)CC1 ZINC000086666657 179317037 /nfs/dbraw/zinc/31/70/37/179317037.db2.gz QXOANEGSZJEYRG-HNNXBMFYSA-N 1 0 260.381 2.260 10 0 CEAERO OC1([C@@H]2CCc3ccccc3N2)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000086666855 179317087 /nfs/dbraw/zinc/31/70/87/179317087.db2.gz XXLMWWGDKNNJBP-CSOLROPVSA-N 1 0 258.365 2.059 10 0 CEAERO C[NH+](C)Cc1cccc(N[C@H]2CCC[C@@H]2S(C)(=O)=O)c1 ZINC000086672978 179317652 /nfs/dbraw/zinc/31/76/52/179317652.db2.gz IEGGZBQDNGDGIB-GJZGRUSLSA-N 1 0 296.436 2.126 10 0 CEAERO CCOc1cccc(C[NH2+][C@H]2CCC[C@H]2S(C)(=O)=O)c1 ZINC000086674766 179318317 /nfs/dbraw/zinc/31/83/17/179318317.db2.gz SLAVSYXJIQPIRI-LSDHHAIUSA-N 1 0 297.420 2.141 10 0 CEAERO C[C@H]1CC[C@H](C(=O)Nc2cccc(C[NH+](C)C)c2)O1 ZINC000130421752 365954660 /nfs/dbraw/zinc/95/46/60/365954660.db2.gz QAPXZIURLQOCNQ-SMDDNHRTSA-N 1 0 262.353 2.254 10 0 CEAERO CN(Cc1cnc(Cl)s1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000086777968 179329489 /nfs/dbraw/zinc/32/94/89/179329489.db2.gz SXYDJWNHIIVBFI-PSASIEDQSA-N 1 0 259.806 2.356 10 0 CEAERO CCC1CCC(C[NH3+])(OCCCC(=O)N(C)C)CC1 ZINC000086713259 179322676 /nfs/dbraw/zinc/32/26/76/179322676.db2.gz GNVGFTBVLALFFP-UHFFFAOYSA-N 1 0 270.417 2.169 10 0 CEAERO C[C@H]1CCC[C@](C[NH3+])(OCC(=O)NC2CCCCC2)C1 ZINC000086713058 179322984 /nfs/dbraw/zinc/32/29/84/179322984.db2.gz VPEICTGNRBBKNL-BBRMVZONSA-N 1 0 282.428 2.360 10 0 CEAERO CCn1cnnc1C1CC[NH+](Cc2ccncc2)CC1 ZINC000130411509 365952512 /nfs/dbraw/zinc/95/25/12/365952512.db2.gz PDOWEQDZLRPPQK-UHFFFAOYSA-N 1 0 271.368 2.073 10 0 CEAERO COC(=O)[C@@]1(Nc2cccc(C)c2)CCC[N@H+](C)CC1 ZINC000086833232 179349729 /nfs/dbraw/zinc/34/97/29/179349729.db2.gz OACXLBGKUUZACS-MRXNPFEDSA-N 1 0 276.380 2.434 10 0 CEAERO CN(C)C(=O)c1ccc(N[C@@H]2CCC[N@H+](C)CC2)cc1 ZINC000086817706 179346086 /nfs/dbraw/zinc/34/60/86/179346086.db2.gz FSOQMLRSHLGPDR-CQSZACIVSA-N 1 0 275.396 2.285 10 0 CEAERO COCCOc1ccc(N[C@H]2CCC[N@H+](C)CC2)cn1 ZINC000086817827 179346147 /nfs/dbraw/zinc/34/61/47/179346147.db2.gz AUQJNQRZHXVZEE-ZDUSSCGKSA-N 1 0 279.384 2.003 10 0 CEAERO CNC(=O)c1ccc(N[C@H]2CCC[N@H+](C)CC2)c(C)c1 ZINC000086818418 179347190 /nfs/dbraw/zinc/34/71/90/179347190.db2.gz HAJYIQPXZRQCTE-AWEZNQCLSA-N 1 0 275.396 2.251 10 0 CEAERO CCC[N@@H+]1CCC[C@@](NCC(C)C)(C(=O)OC)CC1 ZINC000086850280 179357487 /nfs/dbraw/zinc/35/74/87/179357487.db2.gz LIRKOTMOIHMLCJ-HNNXBMFYSA-N 1 0 270.417 2.040 10 0 CEAERO C[N@@H+]1CCC[C@](O)(c2ccc3c(c2)OCCCO3)CC1 ZINC000086834188 179350558 /nfs/dbraw/zinc/35/05/58/179350558.db2.gz CQPPLQRBDFUZQV-MRXNPFEDSA-N 1 0 277.364 2.151 10 0 CEAERO CC[N@@H+]1CCC[C@H](Nc2cccc(C(N)=O)c2)CC1 ZINC000086836276 179350846 /nfs/dbraw/zinc/35/08/46/179350846.db2.gz VGIJUMNHILCEME-ZDUSSCGKSA-N 1 0 261.369 2.072 10 0 CEAERO CC(C)[N@@H+]1CCC[C@H](Nc2cccc(C(N)=O)c2)CC1 ZINC000086836273 179351214 /nfs/dbraw/zinc/35/12/14/179351214.db2.gz WGXULGNXFRWIHY-AWEZNQCLSA-N 1 0 275.396 2.460 10 0 CEAERO CC(C)[N@@H+]1CCC[C@H](NCc2nnc3ccccn32)CC1 ZINC000086836771 179351652 /nfs/dbraw/zinc/35/16/52/179351652.db2.gz VGPZXBRZRPAMNV-AWEZNQCLSA-N 1 0 287.411 2.082 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2ccc(F)c(C(N)=O)c2)CC1 ZINC000086838634 179352037 /nfs/dbraw/zinc/35/20/37/179352037.db2.gz BBXCVTJXTMRZKG-LLVKDONJSA-N 1 0 279.359 2.211 10 0 CEAERO CC[NH+](CC)[C@@]1(CC(=O)[O-])CCC[N@@H+](C(C)C)CC1 ZINC000086868491 179360242 /nfs/dbraw/zinc/36/02/42/179360242.db2.gz UWPMDLFMCBCLDV-HNNXBMFYSA-N 1 0 270.417 2.436 10 0 CEAERO CCC[N@@H+]1CCC[C@@H]([NH+](CC(=O)[O-])CC2CC2)CC1 ZINC000086868692 179361810 /nfs/dbraw/zinc/36/18/10/179361810.db2.gz DPTRZXQJTHESTM-CQSZACIVSA-N 1 0 268.401 2.048 10 0 CEAERO CC[N@@H+]1CCC[C@H]([NH+](CCC(=O)[O-])C(C)(C)C)CC1 ZINC000086868796 179362600 /nfs/dbraw/zinc/36/26/00/179362600.db2.gz FQRVQZGPTUBADM-ZDUSSCGKSA-N 1 0 270.417 2.436 10 0 CEAERO CN(Cc1cccs1)[C@@]1(C[NH3+])CCCOCC1 ZINC000086874929 179364499 /nfs/dbraw/zinc/36/44/99/179364499.db2.gz YDEHACFLMLLHHH-ZDUSSCGKSA-N 1 0 254.399 2.078 10 0 CEAERO CCC[N@@H+]1CCC[C@@](Nc2ccccc2F)(C(N)=O)CC1 ZINC000086849509 179358128 /nfs/dbraw/zinc/35/81/28/179358128.db2.gz GMZFDGGNBJGOMU-INIZCTEOSA-N 1 0 293.386 2.358 10 0 CEAERO CCS(=O)(=O)CCC[C@H](Cc1ccccc1OC)[NH2+]C ZINC000086979010 179372655 /nfs/dbraw/zinc/37/26/55/179372655.db2.gz YKBPGHLHCDBCGB-CQSZACIVSA-N 1 0 299.436 2.041 10 0 CEAERO CC[C@@H]1CCCC[C@@]1([NH3+])CCCS(=O)(=O)CC ZINC000086977463 179372687 /nfs/dbraw/zinc/37/26/87/179372687.db2.gz CGKKJWUCCVHRMZ-CHWSQXEVSA-N 1 0 261.431 2.499 10 0 CEAERO C[C@@H]1CN([C@]2(C[NH3+])CCC[C@H](C)CC2)C[C@H](C)O1 ZINC000086890383 179366546 /nfs/dbraw/zinc/36/65/46/179366546.db2.gz MFLGRBFCQNMDJT-BYNSBNAKSA-N 1 0 254.418 2.393 10 0 CEAERO CCN(CC)CC[NH2+][C@@]1(C(N)=O)CCCC(C)(C)CC1 ZINC000086914602 179367312 /nfs/dbraw/zinc/36/73/12/179367312.db2.gz XOMPTEFARWKUAX-INIZCTEOSA-N 1 0 283.460 2.132 10 0 CEAERO CC[C@@H]1CCC[C@@](C[NH3+])(N2CCOC[C@@H]2C)CC1 ZINC000086911011 179367425 /nfs/dbraw/zinc/36/74/25/179367425.db2.gz OTRYDMXIKNHDLU-RRFJBIMHSA-N 1 0 254.418 2.395 10 0 CEAERO CC(C)[C@H]1CCC[C@@H]([NH2+]CC(=O)NC2CC2)CC1 ZINC000086939634 179368076 /nfs/dbraw/zinc/36/80/76/179368076.db2.gz UPGICGCZCHSFPR-QWHCGFSZSA-N 1 0 252.402 2.460 10 0 CEAERO C[C@H]1SCCC[C@]1(C[NH3+])NCc1cccs1 ZINC000086946363 179368166 /nfs/dbraw/zinc/36/81/66/179368166.db2.gz JBIBHGAISHYLAE-ZYHUDNBSSA-N 1 0 256.440 2.451 10 0 CEAERO CC(C)[C@@H]1CCC[C@@]([NH2+]CC2CC2)(C(N)=O)CC1 ZINC000086949497 179368817 /nfs/dbraw/zinc/36/88/17/179368817.db2.gz IAYRRYJUAWGFLA-HIFRSBDPSA-N 1 0 252.402 2.446 10 0 CEAERO CC[NH2+][C@H](C)[C@@H](c1nc(CCCOC)no1)C(C)C ZINC000086972009 179370506 /nfs/dbraw/zinc/37/05/06/179370506.db2.gz QNZULIPSQKXLNK-YPMHNXCESA-N 1 0 269.389 2.386 10 0 CEAERO C[C@H]1SCCC[C@@]1(CO)[NH2+]Cc1cccs1 ZINC000086968904 179370788 /nfs/dbraw/zinc/37/07/88/179370788.db2.gz YWQRXDATWZPHNF-PWSUYJOCSA-N 1 0 257.424 2.484 10 0 CEAERO CCC[NH2+][C@H]1CCC[C@@H]1CCCS(=O)(=O)CC ZINC000086976283 179372011 /nfs/dbraw/zinc/37/20/11/179372011.db2.gz UQDLGSYPZWUOCD-OLZOCXBDSA-N 1 0 261.431 2.370 10 0 CEAERO COc1ccc([C@H](C[NH3+])N(C)CC2CCOCC2)cc1F ZINC000086992321 179375070 /nfs/dbraw/zinc/37/50/70/179375070.db2.gz DLDYYMDPRVVVPK-HNNXBMFYSA-N 1 0 296.386 2.193 10 0 CEAERO CCCN1C(=O)CC[C@@H]([NH3+])[C@H]1c1ccc(OC)c(F)c1 ZINC000086995155 179375858 /nfs/dbraw/zinc/37/58/58/179375858.db2.gz RZPUSZKNRLRIDG-IUODEOHRSA-N 1 0 280.343 2.235 10 0 CEAERO COc1ccc([C@@H]2[C@@H](C[NH2+]C(C)C)OCCN2C)cc1F ZINC000086995014 179375966 /nfs/dbraw/zinc/37/59/66/179375966.db2.gz AWQSKHCTILTULJ-HZPDHXFCSA-N 1 0 296.386 2.204 10 0 CEAERO CCN1CC[C@H](C[NH2+]C)[C@@H]1c1ccc(OC)c(F)c1 ZINC000086994897 179376056 /nfs/dbraw/zinc/37/60/56/179376056.db2.gz QBILXZOZQOAKMY-DOMZBBRYSA-N 1 0 266.360 2.437 10 0 CEAERO COc1ccc([C@H]2[C@H]([NH3+])CCC(=O)N2CC(C)C)cc1F ZINC000086995204 179376170 /nfs/dbraw/zinc/37/61/70/179376170.db2.gz LKDZZIIELZSZJO-CJNGLKHVSA-N 1 0 294.370 2.481 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)c1c(F)cc(F)cc1F ZINC000086997878 179377350 /nfs/dbraw/zinc/37/73/50/179377350.db2.gz IMURKDBCPWDMTJ-WDEREUQCSA-N 1 0 272.270 2.104 10 0 CEAERO CCC1CCC(O)(C[NH2+]Cc2ccc(C(=O)OC)o2)CC1 ZINC000087053416 179388585 /nfs/dbraw/zinc/38/85/85/179388585.db2.gz UGROFXIRCKWKIX-UHFFFAOYSA-N 1 0 295.379 2.487 10 0 CEAERO CCOC(=O)N1CCC([NH2+]C[C@@]2(O)CCC[C@H](C)C2)CC1 ZINC000087050821 179388962 /nfs/dbraw/zinc/38/89/62/179388962.db2.gz BYUCIYBVSKQOPC-XJKSGUPXSA-N 1 0 298.427 2.138 10 0 CEAERO O=C(C[NH2+]CC1(O)CCCCC1)Nc1c(F)cccc1F ZINC000087029247 179382377 /nfs/dbraw/zinc/38/23/77/179382377.db2.gz ZLEZVCFWIWFZRV-UHFFFAOYSA-N 1 0 298.333 2.188 10 0 CEAERO CC(C)C[C@@H](C)OC[C@H](O)C[NH2+]CC1(O)CCCCC1 ZINC000087029075 179382490 /nfs/dbraw/zinc/38/24/90/179382490.db2.gz NGXIDIMZNFOWOA-HUUCEWRRSA-N 1 0 287.444 2.083 10 0 CEAERO CC[C@H]1C[NH2+]C[C@@H](c2cc(OC)cc(OC)c2)O1 ZINC000087090355 179394432 /nfs/dbraw/zinc/39/44/32/179394432.db2.gz WCDKJMJHDYUXNH-FZMZJTMJSA-N 1 0 251.326 2.143 10 0 CEAERO CC[C@H]1C[NH2+]C[C@H](c2cc(OC)c(OC)c(OC)c2)O1 ZINC000087090255 179394465 /nfs/dbraw/zinc/39/44/65/179394465.db2.gz NHBVIMIBBPBOFD-SMDDNHRTSA-N 1 0 281.352 2.152 10 0 CEAERO C[C@@H]([NH2+]CC1(O)CCC(C)CC1)C(=O)N1CCCCCC1 ZINC000087062525 179389511 /nfs/dbraw/zinc/38/95/11/179389511.db2.gz ZOCGHRKAKPGZDX-ISXOHVOVSA-N 1 0 296.455 2.308 10 0 CEAERO CC1CCC(O)(C[NH2+]C[C@H](O)COC2CCCCC2)CC1 ZINC000087061761 179389670 /nfs/dbraw/zinc/38/96/70/179389670.db2.gz SAFYGLUGNKOWEH-CKDBGZEDSA-N 1 0 299.455 2.227 10 0 CEAERO C[C@@H]1CCC[C@](O)(C[NH2+]CC(=O)Nc2ccc(F)cc2)C1 ZINC000087064330 179390014 /nfs/dbraw/zinc/39/00/14/179390014.db2.gz OAMHVGVOMKUPCK-MLGOLLRUSA-N 1 0 294.370 2.295 10 0 CEAERO C[C@H]1CCC[C@](O)(C[NH2+]Cc2ncc(Cl)n2C)C1 ZINC000087065400 179390111 /nfs/dbraw/zinc/39/01/11/179390111.db2.gz PZOGRXBFJXCNFG-GXFFZTMASA-N 1 0 271.792 2.104 10 0 CEAERO CC1(C)CCC(O)(CNC(=O)CC2([NH3+])CCCC2)CC1 ZINC000087069108 179391387 /nfs/dbraw/zinc/39/13/87/179391387.db2.gz HPXDSYAELOWAKN-UHFFFAOYSA-N 1 0 282.428 2.096 10 0 CEAERO CC1(C)CCC(O)(CN2CCC[C@@H]([NH2+]C3CC3)C2=O)CC1 ZINC000087071268 179391409 /nfs/dbraw/zinc/39/14/09/179391409.db2.gz UBZYKRMBASZPKK-CQSZACIVSA-N 1 0 294.439 2.061 10 0 CEAERO C[C@@]([NH3+])(C(=O)NCC1(O)CCCCCC1)c1ccccc1 ZINC000087089948 179393561 /nfs/dbraw/zinc/39/35/61/179393561.db2.gz RBZABBMACPJMSL-INIZCTEOSA-N 1 0 290.407 2.062 10 0 CEAERO C[NH2+][C@@H](CCCS(C)(=O)=O)CSC1CCCCC1 ZINC000087149634 179397464 /nfs/dbraw/zinc/39/74/64/179397464.db2.gz WJILCSCYAXYGAF-LBPRGKRZSA-N 1 0 293.498 2.465 10 0 CEAERO CCc1ccc(C[C@@]2(O)CC[N@@H+](C3CC3)C2)s1 ZINC000087166326 179398534 /nfs/dbraw/zinc/39/85/34/179398534.db2.gz HDYFNUJXVFYSFZ-AWEZNQCLSA-N 1 0 251.395 2.452 10 0 CEAERO C[C@@](O)(Cc1cccc(F)c1F)[C@H]1CCC[NH2+]C1 ZINC000087172640 179399206 /nfs/dbraw/zinc/39/92/06/179399206.db2.gz VSHWHAUOEKCRLR-SMDDNHRTSA-N 1 0 255.308 2.258 10 0 CEAERO COc1cccc(N(CCC[NH3+])CC[C@@H]2CCCO2)c1 ZINC000087246569 179404629 /nfs/dbraw/zinc/40/46/29/179404629.db2.gz ODBHFFBCBKFJFR-HNNXBMFYSA-N 1 0 278.396 2.420 10 0 CEAERO C[NH2+]Cc1cccc(Br)c1O[C@H](C)[C@@H](C)O ZINC000087125551 179395949 /nfs/dbraw/zinc/39/59/49/179395949.db2.gz VNGSFFKVMARKNU-RKDXNWHRSA-N 1 0 288.185 2.317 10 0 CEAERO C[C@@H](O)[C@@H](C)Oc1c(Br)cccc1C[NH3+] ZINC000087125541 179396006 /nfs/dbraw/zinc/39/60/06/179396006.db2.gz IZFCOBCRLXHSMA-HTQZYQBOSA-N 1 0 274.158 2.056 10 0 CEAERO CC(C)CSCc1noc(C[C@H]([NH3+])C2CC2)n1 ZINC000087126104 179396278 /nfs/dbraw/zinc/39/62/78/179396278.db2.gz KSHBCWHWYSIUDR-JTQLQIEISA-N 1 0 255.387 2.239 10 0 CEAERO CCC[NH2+][C@@H](C)c1ncc(C(C)(C)S(C)(=O)=O)o1 ZINC000087345021 179414501 /nfs/dbraw/zinc/41/45/01/179414501.db2.gz LMTVWSPELLCBRZ-VIFPVBQESA-N 1 0 274.386 2.015 10 0 CEAERO COc1cc([C@H](C[NH3+])[C@H](O)c2ccco2)ccc1C ZINC000087377237 179417047 /nfs/dbraw/zinc/41/70/47/179417047.db2.gz DNFZUYJDNFECQT-WFASDCNBSA-N 1 0 261.321 2.373 10 0 CEAERO CC(C)(CSC(N)=[NH2+])C(=O)Nc1ccccc1 ZINC000087464423 179429815 /nfs/dbraw/zinc/42/98/15/179429815.db2.gz MVPZYEDAWGLIHB-UHFFFAOYSA-N 1 0 251.355 2.278 10 0 CEAERO C(c1noc2c1CCCC2)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248368214 539629247 /nfs/dbraw/zinc/62/92/47/539629247.db2.gz UXPXIMDIOFVVKS-ZDUSSCGKSA-N 1 0 275.396 2.224 10 0 CEAERO CC(C)[NH2+]C[C@@H]1CCCN1c1nc(C2CC2)ns1 ZINC000087643708 179462927 /nfs/dbraw/zinc/46/29/27/179462927.db2.gz QMDPNCJOOSTHEJ-NSHDSACASA-N 1 0 266.414 2.382 10 0 CEAERO CCN(C(=O)CCC(C)(C)CC[NH3+])[C@H](C)COC ZINC000087696118 179471719 /nfs/dbraw/zinc/47/17/19/179471719.db2.gz VYEXPDYYTPNCIY-GFCCVEGCSA-N 1 0 258.406 2.025 10 0 CEAERO COc1cc(F)c(CCOCC[NH2+]C(C)C)cc1OC ZINC000087731011 179478937 /nfs/dbraw/zinc/47/89/37/179478937.db2.gz HUGOBPUWPUKBCT-UHFFFAOYSA-N 1 0 285.359 2.400 10 0 CEAERO [NH3+]Cc1ccc(CC(=O)N2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000087766156 179483323 /nfs/dbraw/zinc/48/33/23/179483323.db2.gz CDFRWTBIFWXQAZ-JKSUJKDBSA-N 1 0 272.392 2.479 10 0 CEAERO CCCNC(=O)c1ccccc1NC(=O)[C@@H](C[NH3+])CCC ZINC000087515117 179437864 /nfs/dbraw/zinc/43/78/64/179437864.db2.gz NAJZFMHAUDKZSX-GFCCVEGCSA-N 1 0 291.395 2.140 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)Nc1cc(C(=O)OC)ccc1Cl ZINC000087519446 179438932 /nfs/dbraw/zinc/43/89/32/179438932.db2.gz XAQRSSNEECLSQD-JTQLQIEISA-N 1 0 298.770 2.440 10 0 CEAERO CCOC(=O)Nc1ccc(NC(=O)[C@@H](C[NH3+])C(C)C)cc1 ZINC000087519264 179439008 /nfs/dbraw/zinc/43/90/08/179439008.db2.gz GCYHDHCSPURECL-ZDUSSCGKSA-N 1 0 293.367 2.424 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)Nc1ccc(Cl)c(C(=O)NC)c1 ZINC000087523595 179440376 /nfs/dbraw/zinc/44/03/76/179440376.db2.gz VENHUAJXYDOUIA-SECBINFHSA-N 1 0 297.786 2.013 10 0 CEAERO C[NH2+][C@H](CC(=O)OC)c1ccc(OC)c(OC(F)F)c1 ZINC000087553150 179445128 /nfs/dbraw/zinc/44/51/28/179445128.db2.gz GVHJNZJVBMLTQH-SECBINFHSA-N 1 0 289.278 2.120 10 0 CEAERO C[NH2+][C@@](C)(CCc1ccc(OC)cc1)CC(=O)OC ZINC000087553202 179445894 /nfs/dbraw/zinc/44/58/94/179445894.db2.gz KWWLDFRGCFSMPO-HNNXBMFYSA-N 1 0 265.353 2.169 10 0 CEAERO [NH3+]CCN1CCCC[C@H](c2cnnc3ccccc32)C1 ZINC000616626733 348539637 /nfs/dbraw/zinc/53/96/37/348539637.db2.gz ARIYHNZGWZOQDB-ZDUSSCGKSA-N 1 0 270.380 2.158 10 0 CEAERO Nc1ccc([C@@H]2C[NH2+]CCN2Cc2ccccc2)cc1 ZINC000616635243 348541991 /nfs/dbraw/zinc/54/19/91/348541991.db2.gz GLOZRJDUQYWKCT-KRWDZBQOSA-N 1 0 267.376 2.415 10 0 CEAERO OCCc1ccccc1[C@H]1C[N@H+](Cc2ccccc2)CCN1 ZINC000616633137 348542093 /nfs/dbraw/zinc/54/20/93/348542093.db2.gz KVEMJMPTQPKJRY-LJQANCHMSA-N 1 0 296.414 2.368 10 0 CEAERO CC(C)[N@@H+]1CCO[C@@H](c2ccc3nnccc3c2)C1 ZINC000616645536 348545363 /nfs/dbraw/zinc/54/53/63/348545363.db2.gz RHZABYJWSBRKER-OAHLLOKOSA-N 1 0 257.337 2.412 10 0 CEAERO c1n[nH]cc1[C@H]1COCCC[N@H+]1Cc1ccccc1 ZINC000616647649 348546094 /nfs/dbraw/zinc/54/60/94/348546094.db2.gz OSJCFCBWAJVYOU-OAHLLOKOSA-N 1 0 257.337 2.373 10 0 CEAERO c1ccc(C[N@@H+]2CCCO[C@@H](c3ccnnc3)C2)cc1 ZINC000616651375 348548623 /nfs/dbraw/zinc/54/86/23/348548623.db2.gz MWDAYYKFFRTNKG-MRXNPFEDSA-N 1 0 269.348 2.440 10 0 CEAERO C[NH2+][C@@H](Cc1ccn(C(C)C)n1)[C@@H]1CCCOC1 ZINC000087814411 179491112 /nfs/dbraw/zinc/49/11/12/179491112.db2.gz RXFKUGFFUVAAPM-OCCSQVGLSA-N 1 0 251.374 2.021 10 0 CEAERO CC(C)=CC(=O)N1CC[C@H](c2cccc(F)c2)[C@@H]([NH3+])C1 ZINC000616569780 348523567 /nfs/dbraw/zinc/52/35/67/348523567.db2.gz KEKQDCDKHUZGNN-CABCVRRESA-N 1 0 276.355 2.435 10 0 CEAERO CC(C)(C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000616572150 348524137 /nfs/dbraw/zinc/52/41/37/348524137.db2.gz VNMIJXDRUUOMHZ-ZIAGYGMSSA-N 1 0 278.371 2.434 10 0 CEAERO CCCC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000616572506 348524145 /nfs/dbraw/zinc/52/41/45/348524145.db2.gz WKBAECHZGFGDHK-UONOGXRCSA-N 1 0 264.344 2.188 10 0 CEAERO CC[N@@H+]1CCO[C@@H](c2ccc(NC(C)=O)cc2)CC1 ZINC000616595931 348528226 /nfs/dbraw/zinc/52/82/26/348528226.db2.gz ZTLUSDHADRLIQI-OAHLLOKOSA-N 1 0 262.353 2.428 10 0 CEAERO CSc1nc(O[C@@H]2CCCC[C@H]2C)cc(NN)[nH+]1 ZINC000087878088 179507711 /nfs/dbraw/zinc/50/77/11/179507711.db2.gz SMLGIZOFZOWMSP-RKDXNWHRSA-N 1 0 268.386 2.442 10 0 CEAERO OCC[N@@H+]1CCCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000616597356 348529557 /nfs/dbraw/zinc/52/95/57/348529557.db2.gz DMDQFSKWTYZYMC-CYBMUJFWSA-N 1 0 255.745 2.096 10 0 CEAERO OCC[N@@H+]1CCC[C@@H](c2cnnc3ccccc32)CC1 ZINC000616601527 348531291 /nfs/dbraw/zinc/53/12/91/348531291.db2.gz QBJNVZFDIXQZIP-CYBMUJFWSA-N 1 0 271.364 2.192 10 0 CEAERO [NH3+]CCN1CCC[C@@H](c2cccc3ccncc32)C1 ZINC000616609074 348533665 /nfs/dbraw/zinc/53/36/65/348533665.db2.gz LPPPYBDDSQKQSZ-CQSZACIVSA-N 1 0 255.365 2.373 10 0 CEAERO OCC[N@@H+]1CCC[C@@H](c2cccc3ncccc32)C1 ZINC000616609255 348533701 /nfs/dbraw/zinc/53/37/01/348533701.db2.gz NZRFSVMYIJPLOM-CYBMUJFWSA-N 1 0 256.349 2.407 10 0 CEAERO [NH3+]CCN1CCCC[C@H]1c1ccc2nnccc2c1 ZINC000616616784 348535730 /nfs/dbraw/zinc/53/57/30/348535730.db2.gz XVHJVJIBELZDJE-HNNXBMFYSA-N 1 0 256.353 2.116 10 0 CEAERO [NH3+]CCN1CCC[C@H](c2cccc3cnccc32)C1 ZINC000616619861 348536659 /nfs/dbraw/zinc/53/66/59/348536659.db2.gz BLROOUXKMSMADC-AWEZNQCLSA-N 1 0 255.365 2.373 10 0 CEAERO CCOC(=O)c1cccc([C@@H]2CCCN(CC[NH3+])C2)c1 ZINC000616621753 348537711 /nfs/dbraw/zinc/53/77/11/348537711.db2.gz XQYZFGOXWWUUNG-OAHLLOKOSA-N 1 0 276.380 2.001 10 0 CEAERO C[NH2+][C@H](C)CCc1nc(C2Cc3ccccc3C2)no1 ZINC000088043248 179538238 /nfs/dbraw/zinc/53/82/38/179538238.db2.gz XYEZLIINLLGUKH-LLVKDONJSA-N 1 0 271.364 2.493 10 0 CEAERO [NH3+]CCC[S@@](=O)Cc1cc(Br)cs1 ZINC000088066663 179543778 /nfs/dbraw/zinc/54/37/78/179543778.db2.gz FDIVFTRMOHFFPM-ZDUSSCGKSA-N 1 0 282.228 2.108 10 0 CEAERO C[C@H]([NH3+])C[S@](=O)Cc1cc(Br)ccc1F ZINC000088069820 179543793 /nfs/dbraw/zinc/54/37/93/179543793.db2.gz KKNAXPWOOOOKEX-NZFNHWASSA-N 1 0 294.189 2.184 10 0 CEAERO C[C@H](C[NH3+])[S@@](=O)Cc1ccc(Br)s1 ZINC000088068060 179543852 /nfs/dbraw/zinc/54/38/52/179543852.db2.gz GODMNHANZNFVHX-CAAJLBCPSA-N 1 0 282.228 2.107 10 0 CEAERO C[C@H]([NH3+])C[S@](=O)Cc1ccccc1Br ZINC000088069326 179544175 /nfs/dbraw/zinc/54/41/75/179544175.db2.gz LYLZUKCDPNIOMJ-RMLUDKJBSA-N 1 0 276.199 2.045 10 0 CEAERO CC[C@H]([NH3+])C[S@](=O)Cc1sccc1Br ZINC000088074296 179544731 /nfs/dbraw/zinc/54/47/31/179544731.db2.gz LXLRIBMSOZTKIA-JKYUHCHBSA-N 1 0 296.255 2.497 10 0 CEAERO C[NH2+]CCc1ncc(-c2c(F)cccc2OC)o1 ZINC000088082049 179545550 /nfs/dbraw/zinc/54/55/50/179545550.db2.gz YQFCPQGBHNNNDW-UHFFFAOYSA-N 1 0 250.273 2.251 10 0 CEAERO C[NH2+][C@H](CCc1ccc2c(c1)CCO2)[C@@H]1CCOC1 ZINC000088105640 179549781 /nfs/dbraw/zinc/54/97/81/179549781.db2.gz MLTFRBQCKJUDKY-HUUCEWRRSA-N 1 0 261.365 2.179 10 0 CEAERO CC[C@@H](C[NH3+])[S@@](=O)c1cccc(Br)c1 ZINC000088145406 179555838 /nfs/dbraw/zinc/55/58/38/179555838.db2.gz YHNKGGHZVBQGPP-XPTSAGLGSA-N 1 0 276.199 2.294 10 0 CEAERO CC[NH2+][C@@H]1CCCc2c(O[C@H](C)C(=O)NC)cccc21 ZINC000088151950 179557913 /nfs/dbraw/zinc/55/79/13/179557913.db2.gz LIVSLNWCMFQAMZ-BXUZGUMPSA-N 1 0 276.380 2.187 10 0 CEAERO C[C@@H](O)C[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000088186608 179560934 /nfs/dbraw/zinc/56/09/34/179560934.db2.gz FRQLRMDLHQMDQX-RQJHMYQMSA-N 1 0 264.188 2.324 10 0 CEAERO Nc1ccc([C@@H]2c3ccccc3CCN2CC[NH3+])cc1 ZINC000616679450 348558286 /nfs/dbraw/zinc/55/82/86/348558286.db2.gz TYCAXEDTWQUBBJ-QGZVFWFLSA-N 1 0 267.376 2.175 10 0 CEAERO OCC[N@@H+]1CCc2ccccc2[C@@H]1c1cccnc1 ZINC000616678948 348558332 /nfs/dbraw/zinc/55/83/32/348558332.db2.gz PVOJUBIPRFBEKL-INIZCTEOSA-N 1 0 254.333 2.021 10 0 CEAERO Cc1nn(C)c(N(C)CCc2ccccc2)c1C[C@@H](C)[NH3+] ZINC000088243782 179569615 /nfs/dbraw/zinc/56/96/15/179569615.db2.gz QETMZDSQAICGSW-CYBMUJFWSA-N 1 0 286.423 2.297 10 0 CEAERO CCOc1ccccc1OCC[NH2+]CC(C)(C)N(C)C ZINC000088400484 179593025 /nfs/dbraw/zinc/59/30/25/179593025.db2.gz BBYYEFXGSWVQSR-UHFFFAOYSA-N 1 0 280.412 2.394 10 0 CEAERO CC[C@@](C)(O)C[N@@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000249069969 539654721 /nfs/dbraw/zinc/65/47/21/539654721.db2.gz KTFAZBPFXWZXQJ-CZUORRHYSA-N 1 0 280.387 2.497 10 0 CEAERO Cc1c(F)cccc1NC(=O)[C@H]1C[NH2+]C[C@@H](C)C1 ZINC000088450603 179605978 /nfs/dbraw/zinc/60/59/78/179605978.db2.gz NEBLFBGMSRRVBJ-GXSJLCMTSA-N 1 0 250.317 2.318 10 0 CEAERO Cc1cncc(C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000088451651 179606564 /nfs/dbraw/zinc/60/65/64/179606564.db2.gz OMYJBOJPEJXHEN-GJZGRUSLSA-N 1 0 273.380 2.137 10 0 CEAERO CCc1ccccc1CNC(=O)[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000088451392 179606661 /nfs/dbraw/zinc/60/66/61/179606661.db2.gz HABUWNLBHJAXLX-WFASDCNBSA-N 1 0 260.381 2.111 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C(=O)Nc2cc(F)c(F)cc2F)C1 ZINC000088450984 179606807 /nfs/dbraw/zinc/60/68/07/179606807.db2.gz NDEDTUIPGODSGR-YUMQZZPRSA-N 1 0 272.270 2.288 10 0 CEAERO Cc1sc2[nH]c(C[NH2+]CCC3CC3)nc(=O)c2c1C ZINC000088457392 179607980 /nfs/dbraw/zinc/60/79/80/179607980.db2.gz FTRNQRZJZRTACL-UHFFFAOYSA-N 1 0 277.393 2.491 10 0 CEAERO CC[C@H](C)C[C@@H](C)NS(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000088299317 179576132 /nfs/dbraw/zinc/57/61/32/179576132.db2.gz ZXZJUCKBARHACM-NWDGAFQWSA-N 1 0 284.425 2.248 10 0 CEAERO Cc1ccc(C(=O)N2CC[NH2+]CC23CCCCC3)o1 ZINC000088396118 179590848 /nfs/dbraw/zinc/59/08/48/179590848.db2.gz RWNKYNCEGUDDRN-UHFFFAOYSA-N 1 0 262.353 2.336 10 0 CEAERO CCC[C@H](CC)NS(=O)(=O)c1ccc(C[NH2+]CC)o1 ZINC000088542539 179620637 /nfs/dbraw/zinc/62/06/37/179620637.db2.gz OPDDINCSEFAPPE-NSHDSACASA-N 1 0 288.413 2.246 10 0 CEAERO Cn1ncnc1COc1cccc(C[NH2+]C(C)(C)C)c1 ZINC000088571790 179628075 /nfs/dbraw/zinc/62/80/75/179628075.db2.gz VQFQVQIUIYMHEX-UHFFFAOYSA-N 1 0 274.368 2.282 10 0 CEAERO CC(C)Cn1ncnc1CN(C)[C@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000088585949 179631182 /nfs/dbraw/zinc/63/11/82/179631182.db2.gz KIEXFWBIPJDIEV-GDBMZVCRSA-N 1 0 293.459 2.274 10 0 CEAERO CCC1(CC)CCN(C(=O)[C@H]2C[NH2+]C[C@H]2C)CC1 ZINC000104206463 185930801 /nfs/dbraw/zinc/93/08/01/185930801.db2.gz RAUSEYMEMNTTFO-OLZOCXBDSA-N 1 0 252.402 2.271 10 0 CEAERO CCCn1ncnc1C[C@@H]([NH3+])c1ccc(F)c(F)c1 ZINC000088610154 179637857 /nfs/dbraw/zinc/63/78/57/179637857.db2.gz MTUYYGMGJZDEKU-GFCCVEGCSA-N 1 0 266.295 2.209 10 0 CEAERO CCn1ncnc1C[C@@H]([NH3+])Cc1ccc(Cl)cc1 ZINC000088610168 179638013 /nfs/dbraw/zinc/63/80/13/179638013.db2.gz KPTYAYPYVUGJKW-LBPRGKRZSA-N 1 0 264.760 2.064 10 0 CEAERO CCCn1ncnc1CN1CC(CC)(CC)[NH2+]C[C@H]1CC ZINC000088625701 179642852 /nfs/dbraw/zinc/64/28/52/179642852.db2.gz SOUSGHSIBNDJRX-CQSZACIVSA-N 1 0 293.459 2.431 10 0 CEAERO CCC1(CC)CN(Cc2ncnn2C(C)C)[C@H](C)C[NH2+]1 ZINC000088625690 179642897 /nfs/dbraw/zinc/64/28/97/179642897.db2.gz XIPAZWRXCHTFJM-CYBMUJFWSA-N 1 0 279.432 2.212 10 0 CEAERO C[C@H]1CCCCC[C@H]1NC(=O)C1(C)CC[NH2+]CC1 ZINC000088514381 179616264 /nfs/dbraw/zinc/61/62/64/179616264.db2.gz GAQXRYZWLUSIBH-QWHCGFSZSA-N 1 0 252.402 2.461 10 0 CEAERO C[NH2+][C@@H](Cc1nc2ccccc2s1)[C@@H]1CCOC1 ZINC000088518764 179617451 /nfs/dbraw/zinc/61/74/51/179617451.db2.gz VCVHAPIKFDMMJY-PWSUYJOCSA-N 1 0 262.378 2.463 10 0 CEAERO C[NH2+]CC[C@H]1CCCCN1S(=O)(=O)c1ccccc1C ZINC000088716412 179656916 /nfs/dbraw/zinc/65/69/16/179656916.db2.gz PCBNNZCCVOSKHM-CQSZACIVSA-N 1 0 296.436 2.148 10 0 CEAERO Cc1ccccc1S(=O)(=O)N[C@@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000088716850 179657398 /nfs/dbraw/zinc/65/73/98/179657398.db2.gz QNDMONPYYZKURJ-DOMZBBRYSA-N 1 0 296.436 2.181 10 0 CEAERO Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C[NH2+]C1CC1 ZINC000088976591 179687974 /nfs/dbraw/zinc/68/79/74/179687974.db2.gz FPYOUOXJAGVUMI-UHFFFAOYSA-N 1 0 296.436 2.324 10 0 CEAERO CC(C)[NH2+]Cc1ccccc1S(=O)(=O)N(C)CC1CC1 ZINC000088973636 179688841 /nfs/dbraw/zinc/68/88/41/179688841.db2.gz JQABHZKSGAOHNY-UHFFFAOYSA-N 1 0 296.436 2.215 10 0 CEAERO CC[C@@H](C)NS(=O)(=O)c1cc(C[NH2+]C)ccc1Cl ZINC000088978160 179689249 /nfs/dbraw/zinc/68/92/49/179689249.db2.gz FRZITKZNXDQVFE-SECBINFHSA-N 1 0 290.816 2.136 10 0 CEAERO CC[NH2+]CCCCS(=O)(=O)N(CC(C)C)CC(C)C ZINC000088987195 179690476 /nfs/dbraw/zinc/69/04/76/179690476.db2.gz AKDZHDGDMJZJDW-UHFFFAOYSA-N 1 0 292.489 2.320 10 0 CEAERO CCCCN([C@@H](C)CC)S(=O)(=O)CCC[NH2+]CC ZINC000089005842 179690910 /nfs/dbraw/zinc/69/09/10/179690910.db2.gz AONBBMORDIGZLW-ZDUSSCGKSA-N 1 0 278.462 2.216 10 0 CEAERO CCCCN([C@H](C)CC)S(=O)(=O)[C@@H](C)C[NH2+]CC ZINC000089005858 179690936 /nfs/dbraw/zinc/69/09/36/179690936.db2.gz DBDMBPGKYONUJB-OLZOCXBDSA-N 1 0 278.462 2.215 10 0 CEAERO CC[NH2+]Cc1nnc(-c2cc(OC)cc(OC)c2)s1 ZINC000088813965 179677224 /nfs/dbraw/zinc/67/72/24/179677224.db2.gz JHMWUCPFBYPXPD-UHFFFAOYSA-N 1 0 279.365 2.332 10 0 CEAERO [NH3+]CC[C@H]1CN(CCOC(F)(F)F)c2ccccc21 ZINC000089055900 179695174 /nfs/dbraw/zinc/69/51/74/179695174.db2.gz DLEYVVLFMQOIOO-JTQLQIEISA-N 1 0 274.286 2.475 10 0 CEAERO CN(C(=O)C1(c2ccccc2)CC1)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089110372 179705080 /nfs/dbraw/zinc/70/50/80/179705080.db2.gz OXEBTTVPCGIYHI-DZGCQCFKSA-N 1 0 272.392 2.304 10 0 CEAERO CN(C(=O)c1ccc2[nH]ccc2c1)[C@H]1CCC[C@H]1C[NH3+] ZINC000089110365 179705105 /nfs/dbraw/zinc/70/51/05/179705105.db2.gz JONKPXNSTDNYPI-ZFWWWQNUSA-N 1 0 271.364 2.367 10 0 CEAERO CN(C(=O)/C=C/c1ccc(F)cc1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089110134 179705213 /nfs/dbraw/zinc/70/52/13/179705213.db2.gz ZBOGMDPCXZIWGN-VINFDWDVSA-N 1 0 276.355 2.425 10 0 CEAERO CCN(CC1CC1)S(=O)(=O)c1cc(C[NH2+]C)ccc1C ZINC000089039180 179692955 /nfs/dbraw/zinc/69/29/55/179692955.db2.gz BBCUJCGPSDFYPD-UHFFFAOYSA-N 1 0 296.436 2.135 10 0 CEAERO CN(C)C(=O)c1cccc(N[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000089143257 179721500 /nfs/dbraw/zinc/72/15/00/179721500.db2.gz JTFQZUFUURAPCC-UKRRQHHQSA-N 1 0 275.396 2.318 10 0 CEAERO CC[C@@H]([NH3+])Cc1c(C)nn(C)c1N(C)CC(C)C ZINC000104282093 185954381 /nfs/dbraw/zinc/95/43/81/185954381.db2.gz QLUMMQXQSXBJLX-GFCCVEGCSA-N 1 0 252.406 2.101 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1cc(F)c(F)cc1F ZINC000089461749 539719199 /nfs/dbraw/zinc/71/91/99/539719199.db2.gz GOMBQDZYFYYOOX-JGVFFNPUSA-N 1 0 272.270 2.417 10 0 CEAERO Cc1nn(C)c(CO[C@H]2CCC[C@@H]2C[NH3+])c1Cl ZINC000089234928 179759385 /nfs/dbraw/zinc/75/93/85/179759385.db2.gz CLZZNWGHLAZYOI-KOLCDFICSA-N 1 0 257.765 2.026 10 0 CEAERO CCOc1ccccc1OCC[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401484555 233181700 /nfs/dbraw/zinc/18/17/00/233181700.db2.gz BVYZXJMZYAZHCQ-KBPBESRZSA-N 1 0 279.380 2.167 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1c1nc(COc2ccccc2)no1 ZINC000089431194 539714784 /nfs/dbraw/zinc/71/47/84/539714784.db2.gz IEHXPNCSERPEIY-AAEUAGOBSA-N 1 0 273.336 2.491 10 0 CEAERO CCC[NH2+][C@H](Cc1cc(C)nn1C)c1ccncc1 ZINC000089193040 179749980 /nfs/dbraw/zinc/74/99/80/179749980.db2.gz AFPSGBCYYHKJFU-OAHLLOKOSA-N 1 0 258.369 2.407 10 0 CEAERO CCCSC[C@@H]([NH3+])Cc1cc(CC)nn1CC ZINC000089198675 179751571 /nfs/dbraw/zinc/75/15/71/179751571.db2.gz VKVCKRDZSJGGAU-NSHDSACASA-N 1 0 255.431 2.478 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCCC1CCCCC1 ZINC000089454489 539717101 /nfs/dbraw/zinc/71/71/01/539717101.db2.gz UTOXBXIHYDGWAJ-KBPBESRZSA-N 1 0 252.402 2.448 10 0 CEAERO Cc1ccc(OCCN(C)C(=O)[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089455684 539717117 /nfs/dbraw/zinc/71/71/17/539717117.db2.gz VPWFYSZYHJPYRM-HOCLYGCPSA-N 1 0 290.407 2.207 10 0 CEAERO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089456755 539717419 /nfs/dbraw/zinc/71/74/19/539717419.db2.gz YRNZYJQEPXUKOX-ZJUUUORDSA-N 1 0 266.307 2.162 10 0 CEAERO CCC[NH2+]Cc1cnn(Cc2cc(CC)nn2C)c1C ZINC000089207459 179754109 /nfs/dbraw/zinc/75/41/09/179754109.db2.gz WDTREJCATUMHMH-UHFFFAOYSA-N 1 0 275.400 2.035 10 0 CEAERO CCc1cc(CN2CC[NH2+][C@@H](c3ccccc3)C2)n(C)n1 ZINC000089208530 179754779 /nfs/dbraw/zinc/75/47/79/179754779.db2.gz QMEQBKCDBJLLPP-QGZVFWFLSA-N 1 0 284.407 2.129 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1cccc(F)c1F ZINC000089458423 539718513 /nfs/dbraw/zinc/71/85/13/539718513.db2.gz DVHAISLJZKQVPK-DTWKUNHWSA-N 1 0 254.280 2.278 10 0 CEAERO C[C@H](Cc1ccsc1)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089460493 539718792 /nfs/dbraw/zinc/71/87/92/539718792.db2.gz JFAJDWBADQJREJ-RAIGVLPGSA-N 1 0 266.410 2.170 10 0 CEAERO C[C@H](Nc1cccc(N2CCCC2=O)c1)[C@H]1CC[NH2+]C1 ZINC000400335210 233176517 /nfs/dbraw/zinc/17/65/17/233176517.db2.gz FBYCDAFQIGFZFI-STQMWFEESA-N 1 0 273.380 2.223 10 0 CEAERO CCc1nn(C)c(C[NH2+]C[C@H]2CCCC[C@H]2O)c1Cl ZINC000089319302 179768934 /nfs/dbraw/zinc/76/89/34/179768934.db2.gz WLNHCJBHWIJPGI-ZWNOBZJWSA-N 1 0 285.819 2.277 10 0 CEAERO Cc1cc(F)ccc1NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089449702 179791622 /nfs/dbraw/zinc/79/16/22/179791622.db2.gz SLLFHQIHMQBHSQ-CMPLNLGQSA-N 1 0 250.317 2.448 10 0 CEAERO COc1ccc(CN(C)C(=O)[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089455120 179793860 /nfs/dbraw/zinc/79/38/60/179793860.db2.gz RRSHUTGXIWADCK-HIFRSBDPSA-N 1 0 276.380 2.029 10 0 CEAERO CN(CCOc1ccccc1F)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089455699 179794138 /nfs/dbraw/zinc/79/41/38/179794138.db2.gz IDQUMSFHHZBVGE-CHWSQXEVSA-N 1 0 294.370 2.038 10 0 CEAERO Cc1cc([C@@H]2CCCN2C(=O)[C@@H]2CCC[C@@H]2C[NH3+])on1 ZINC000089457477 179794452 /nfs/dbraw/zinc/79/44/52/179794452.db2.gz FMTGIMBYGHXYQE-UPJWGTAASA-N 1 0 277.368 2.022 10 0 CEAERO COc1ccccc1CN(C)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089458216 179794842 /nfs/dbraw/zinc/79/48/42/179794842.db2.gz NBNDMHWXOITYJQ-JSGCOSHPSA-N 1 0 276.380 2.029 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1CNC(=O)c1ccccc1F ZINC000089531841 179811378 /nfs/dbraw/zinc/81/13/78/179811378.db2.gz ROEYOUNTTJPRHV-NWDGAFQWSA-N 1 0 264.344 2.321 10 0 CEAERO CCCc1noc(COC[C@H]2CCCC[C@H]2C[NH3+])n1 ZINC000089535786 179812233 /nfs/dbraw/zinc/81/22/33/179812233.db2.gz OZUGSOCKKBXLOE-NWDGAFQWSA-N 1 0 267.373 2.304 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1COc1nccc(C(F)(F)F)n1 ZINC000089538259 179813611 /nfs/dbraw/zinc/81/36/11/179813611.db2.gz AYMKXYUFLJCPGL-IUCAKERBSA-N 1 0 275.274 2.249 10 0 CEAERO Cc1ccnc(Cl)c1NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089482418 179801052 /nfs/dbraw/zinc/80/10/52/179801052.db2.gz QLUDPSVSDRQEGM-ZJUUUORDSA-N 1 0 267.760 2.357 10 0 CEAERO CCOc1ccccc1C(=O)NC[C@H]1CCC[C@@H]1C[NH3+] ZINC000089500443 179804808 /nfs/dbraw/zinc/80/48/08/179804808.db2.gz CKHIVMXZBZYQHS-CHWSQXEVSA-N 1 0 276.380 2.190 10 0 CEAERO Cc1ccc(F)cc1C(=O)NC[C@@H]1CCC[C@H]1C[NH3+] ZINC000089500576 179805089 /nfs/dbraw/zinc/80/50/89/179805089.db2.gz GJFIZHPROPYREC-RYUDHWBXSA-N 1 0 264.344 2.239 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1CNC(=O)CCc1ccccc1 ZINC000089500687 179805133 /nfs/dbraw/zinc/80/51/33/179805133.db2.gz BSWPDQIFTRYEDY-HUUCEWRRSA-N 1 0 260.381 2.110 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1CNC(=O)Nc1ccc(F)cc1 ZINC000089500841 179805684 /nfs/dbraw/zinc/80/56/84/179805684.db2.gz SLXQVFATPLJVMW-WDEREUQCSA-N 1 0 265.332 2.322 10 0 CEAERO COc1ccc(Cl)c(NC(=O)C[C@H]2CC[NH2+]C2)c1 ZINC000089747392 179858950 /nfs/dbraw/zinc/85/89/50/179858950.db2.gz VPPPQZJZQHVTHZ-SECBINFHSA-N 1 0 268.744 2.287 10 0 CEAERO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC(=O)N(C)C2=O)CC1 ZINC000090023609 179906271 /nfs/dbraw/zinc/90/62/71/179906271.db2.gz XFLUIJZJXWSPEP-HZSPNIEDSA-N 1 0 280.412 2.328 10 0 CEAERO Cc1cc(C(=O)Nc2cccc([C@H](C)[NH3+])c2)n(C)n1 ZINC000090121190 179917137 /nfs/dbraw/zinc/91/71/37/179917137.db2.gz MIPQXBUYVLQCLR-JTQLQIEISA-N 1 0 258.325 2.001 10 0 CEAERO Cc1nc(C[NH3+])sc1-c1nncn1-c1ccccc1 ZINC000104365697 185984662 /nfs/dbraw/zinc/98/46/62/185984662.db2.gz QFTIRBRTVZOPPI-UHFFFAOYSA-N 1 0 271.349 2.158 10 0 CEAERO Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@](C)(O)CC(C)C ZINC000090271036 179944209 /nfs/dbraw/zinc/94/42/09/179944209.db2.gz ALYUMYAHAUQXHW-FZMZJTMJSA-N 1 0 253.390 2.176 10 0 CEAERO CN(C1C[NH2+]C1)[C@@H]1CCc2cc(Br)ccc2C1 ZINC000090289608 179949672 /nfs/dbraw/zinc/94/96/72/179949672.db2.gz GVJVYFVWPCHGEV-CYBMUJFWSA-N 1 0 295.224 2.210 10 0 CEAERO CCCN(Cc1ccc2ccccc2n1)C1C[NH2+]C1 ZINC000090292420 179951113 /nfs/dbraw/zinc/95/11/13/179951113.db2.gz RMIDXOFSZNOFAO-UHFFFAOYSA-N 1 0 255.365 2.419 10 0 CEAERO CCN(c1c(F)c(F)c(F)c(F)c1F)C1C[NH2+]C1 ZINC000090292245 179951136 /nfs/dbraw/zinc/95/11/36/179951136.db2.gz FMVBRTZSRVPQNK-UHFFFAOYSA-N 1 0 266.213 2.180 10 0 CEAERO [NH3+]C[C@@H](Nc1ncc(Br)cn1)c1ccccc1 ZINC000104388884 185989232 /nfs/dbraw/zinc/98/92/32/185989232.db2.gz KFFOWGMLHPTWSF-LLVKDONJSA-N 1 0 293.168 2.351 10 0 CEAERO COc1cccc([C@@H](Cn2cncc2C=O)[NH+](C)C)c1 ZINC000090238049 179938152 /nfs/dbraw/zinc/93/81/52/179938152.db2.gz BDWAYAMHNDPYPF-OAHLLOKOSA-N 1 0 273.336 2.007 10 0 CEAERO COC(C[C@](C)(C[NH3+])N(C)c1cccc(C)c1)OC ZINC000090265966 179942696 /nfs/dbraw/zinc/94/26/96/179942696.db2.gz NAUOHVXKXVYDMU-OAHLLOKOSA-N 1 0 266.385 2.158 10 0 CEAERO O=C(c1ccc(Cl)cc1Cl)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090321365 179957641 /nfs/dbraw/zinc/95/76/41/179957641.db2.gz HYYZGRIAFCARQG-IUCAKERBSA-N 1 0 285.174 2.285 10 0 CEAERO O=C(c1csc2ccccc12)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090321223 179957694 /nfs/dbraw/zinc/95/76/94/179957694.db2.gz UJSXWGITDFSWLA-QWRGUYRKSA-N 1 0 272.373 2.193 10 0 CEAERO O=C(Nc1cccc(C(F)(F)F)c1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090321745 179957875 /nfs/dbraw/zinc/95/78/75/179957875.db2.gz MFSAZKVOZZOATA-UWVGGRQHSA-N 1 0 299.296 2.389 10 0 CEAERO Cc1ccc(C(=O)N2C[C@@H]3C[NH2+]C[C@H]3C2(C)C)cc1 ZINC000090336157 179965043 /nfs/dbraw/zinc/96/50/43/179965043.db2.gz ZOYQCJATEFTQOZ-UONOGXRCSA-N 1 0 258.365 2.065 10 0 CEAERO CC1(C)[C@H]2C[NH2+]C[C@H]2CN1C(=O)c1ccc2cc[nH]c2c1 ZINC000090336210 179965219 /nfs/dbraw/zinc/96/52/19/179965219.db2.gz WUTFQQGFOCDLBU-KBPBESRZSA-N 1 0 283.375 2.238 10 0 CEAERO C[C@@H]([NH3+])CSCC(=O)NCCC1=CCCCC1 ZINC000090343789 179969375 /nfs/dbraw/zinc/96/93/75/179969375.db2.gz GJNGMPAMUQZKCF-LLVKDONJSA-N 1 0 256.415 2.074 10 0 CEAERO COc1ccccc1NC(=O)CCSC[C@H](C)[NH3+] ZINC000090344042 179969378 /nfs/dbraw/zinc/96/93/78/179969378.db2.gz HIKVBUFGMXBYAL-JTQLQIEISA-N 1 0 268.382 2.104 10 0 CEAERO C[C@H](CC[NH3+])SCC(=O)Nc1cccc(F)c1 ZINC000090354887 179974072 /nfs/dbraw/zinc/97/40/72/179974072.db2.gz NOUYLNFSRAATBC-SECBINFHSA-N 1 0 256.346 2.235 10 0 CEAERO CC(C)n1c2cccc(F)c2nc1[C@H]1COC[C@@H]1[NH3+] ZINC000090363792 179977780 /nfs/dbraw/zinc/97/77/80/179977780.db2.gz MZKWZTWRELCCQR-ONGXEEELSA-N 1 0 263.316 2.197 10 0 CEAERO CCOc1ccc(-n2cc(C[NH2+]C(C)C)nn2)cc1 ZINC000090299260 179953026 /nfs/dbraw/zinc/95/30/26/179953026.db2.gz PZSDAIKZUJSMPY-UHFFFAOYSA-N 1 0 260.341 2.164 10 0 CEAERO C[C@H](c1ccc(F)c(Cl)c1)N1CCN(C2C[NH2+]C2)CC1 ZINC000090306289 179954627 /nfs/dbraw/zinc/95/46/27/179954627.db2.gz CGJMUYXHTRVVHE-LLVKDONJSA-N 1 0 297.805 2.130 10 0 CEAERO C[C@@H]1CCN(CCOCC(F)(F)F)CC[C@H](C)[NH2+]1 ZINC000104440333 186003405 /nfs/dbraw/zinc/00/34/05/186003405.db2.gz FEWAZEKPODYOMM-PHIMTYICSA-N 1 0 268.323 2.028 10 0 CEAERO CCC[C@H](NC(=O)[C@H]1COC[C@@H]1[NH2+]CC)c1ccccc1 ZINC000090489404 179991773 /nfs/dbraw/zinc/99/17/73/179991773.db2.gz MSEQAHWQEPUABK-JYJNAYRXSA-N 1 0 290.407 2.269 10 0 CEAERO CC(C)(C)c1ccc(C[NH2+][C@@H]2CCOC[C@@H]2O)cc1 ZINC000623765958 350106298 /nfs/dbraw/zinc/10/62/98/350106298.db2.gz ZUKLCQDCLPBHIT-CABCVRRESA-N 1 0 263.381 2.224 10 0 CEAERO O[C@H]1COCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000623765407 350106448 /nfs/dbraw/zinc/10/64/48/350106448.db2.gz SOTCSLRTAQMUIF-NEPJUHHUSA-N 1 0 276.163 2.233 10 0 CEAERO O=c1[nH]c(CSCC2C[NH2+]C2)nc2ccc(Cl)cc21 ZINC000090713058 180028491 /nfs/dbraw/zinc/02/84/91/180028491.db2.gz RTBUBFFIKPDALO-UHFFFAOYSA-N 1 0 295.795 2.029 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(C)cc1C ZINC000090538841 180000322 /nfs/dbraw/zinc/00/03/22/180000322.db2.gz UQZGVQISUXNWTR-DZGCQCFKSA-N 1 0 276.380 2.257 10 0 CEAERO Oc1ccc2c(c1)OC[C@H]2[NH2+]CCOC1CCCC1 ZINC000104432530 186000832 /nfs/dbraw/zinc/00/08/32/186000832.db2.gz SOFOFBYAUXYPTR-CQSZACIVSA-N 1 0 263.337 2.375 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)N(C)c1cc(C)cc(C)c1 ZINC000090544411 180001002 /nfs/dbraw/zinc/00/10/02/180001002.db2.gz UZVHKPWMSPAHMH-HOTGVXAUSA-N 1 0 290.407 2.281 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)N(CC)c1cccc(F)c1 ZINC000090544241 180001308 /nfs/dbraw/zinc/00/13/08/180001308.db2.gz NEGMMVCHIVQXNA-CABCVRRESA-N 1 0 294.370 2.193 10 0 CEAERO Cc1ccc(C)c(NC(=O)CSCC2C[NH2+]C2)c1 ZINC000090712527 180028597 /nfs/dbraw/zinc/02/85/97/180028597.db2.gz OLNQEJVPSBVSSF-UHFFFAOYSA-N 1 0 264.394 2.195 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1CN(C)c1cccc(C)c1 ZINC000090566718 180006724 /nfs/dbraw/zinc/00/67/24/180006724.db2.gz SLNIYKMBEWUDIR-GOEBONIOSA-N 1 0 262.397 2.446 10 0 CEAERO CCCn1c2ccc(F)cc2nc1[C@]1(C)COC[C@@H]1[NH3+] ZINC000090571720 180007777 /nfs/dbraw/zinc/00/77/77/180007777.db2.gz WBAJJIFLDQECMO-DZGCQCFKSA-N 1 0 277.343 2.201 10 0 CEAERO CCc1cccc(CC)c1NC(=O)[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090580281 180008236 /nfs/dbraw/zinc/00/82/36/180008236.db2.gz XDRKNDZQCBAGCH-BBRMVZONSA-N 1 0 276.380 2.114 10 0 CEAERO C[C@]1(C(=O)Nc2cc(Cl)cc(Cl)c2)COC[C@@H]1[NH3+] ZINC000090580616 180008714 /nfs/dbraw/zinc/00/87/14/180008714.db2.gz JFQQYILDZDUXIB-JQWIXIFHSA-N 1 0 289.162 2.296 10 0 CEAERO CCC1CCC(c2noc([C@@]3(C)COC[C@@H]3[NH3+])n2)CC1 ZINC000090574135 180008800 /nfs/dbraw/zinc/00/88/00/180008800.db2.gz QYJUKOHKGVKUJT-UFDFEIGVSA-N 1 0 279.384 2.369 10 0 CEAERO C[C@]1(C(=O)Nc2cc(Cl)ccc2Cl)COC[C@H]1[NH3+] ZINC000090580140 180008841 /nfs/dbraw/zinc/00/88/41/180008841.db2.gz BWVHTTHBRRDRRE-PWSUYJOCSA-N 1 0 289.162 2.296 10 0 CEAERO CC(C)(C)c1ccccc1NC(=O)[C@]1(C)COC[C@H]1[NH3+] ZINC000090586095 180009562 /nfs/dbraw/zinc/00/95/62/180009562.db2.gz FGNAAHYLPSZTQT-CZUORRHYSA-N 1 0 276.380 2.286 10 0 CEAERO CCCOc1cc(C)ccc1NC(=O)[C@@]1(C)COC[C@H]1[NH3+] ZINC000090589980 180010152 /nfs/dbraw/zinc/01/01/52/180010152.db2.gz RUXXEIKUWRVWDC-ZBFHGGJFSA-N 1 0 292.379 2.086 10 0 CEAERO COC(C[C@@H](C[NH3+])N1CCc2sccc2[C@@H]1C)OC ZINC000090625241 180015750 /nfs/dbraw/zinc/01/57/50/180015750.db2.gz VOEZYTXTAPOXRK-QWRGUYRKSA-N 1 0 284.425 2.004 10 0 CEAERO C[C@@H](OCCOc1ccc(C[NH3+])cc1)C(F)(F)F ZINC000090671925 180021054 /nfs/dbraw/zinc/02/10/54/180021054.db2.gz VLLRHNJYYBPEAW-SECBINFHSA-N 1 0 263.259 2.492 10 0 CEAERO C[C@H](OCCC(=O)Nc1ccc(C[NH3+])cc1)C(F)(F)F ZINC000090671968 180021189 /nfs/dbraw/zinc/02/11/89/180021189.db2.gz XUSASUSZSNESKB-VIFPVBQESA-N 1 0 290.285 2.441 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCCCO[C@@H](C)C(F)(F)F ZINC000090676003 180022391 /nfs/dbraw/zinc/02/23/91/180022391.db2.gz YSOGHLVXMBSHOD-WDEREUQCSA-N 1 0 271.323 2.485 10 0 CEAERO CC(C)C1CCC([NH2+]C[C@H]2CN(C)CCO2)CC1 ZINC000090714904 180029262 /nfs/dbraw/zinc/02/92/62/180029262.db2.gz FPOHTGSBSKXJOA-NRXISQOPSA-N 1 0 254.418 2.121 10 0 CEAERO CCOC(=O)N1CCCSC[C@H]1C[NH+]1CCCCC1 ZINC000090701529 180027903 /nfs/dbraw/zinc/02/79/03/180027903.db2.gz JTDZEFJKFGUYMA-CYBMUJFWSA-N 1 0 286.441 2.436 10 0 CEAERO C[NH+](C)C[C@H]1CSCCCN1C(=O)c1cccs1 ZINC000090699995 180028014 /nfs/dbraw/zinc/02/80/14/180028014.db2.gz YOMUZOBXSLFXTK-NSHDSACASA-N 1 0 284.450 2.257 10 0 CEAERO CCC1CCC([NH2+]C[C@@H]2CN(CC)CCO2)CC1 ZINC000090715091 180029306 /nfs/dbraw/zinc/02/93/06/180029306.db2.gz OOVOHZBMLGJRRU-YMAMQOFZSA-N 1 0 254.418 2.266 10 0 CEAERO CC(C)CCc1noc(-c2csc(C[NH3+])n2)n1 ZINC000090933530 180066694 /nfs/dbraw/zinc/06/66/94/180066694.db2.gz IPUSOCNPTJGQEF-UHFFFAOYSA-N 1 0 252.343 2.240 10 0 CEAERO C[C@@H](NC(=O)N1CC([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000090765432 180037598 /nfs/dbraw/zinc/03/75/98/180037598.db2.gz UUNXGWIUNZCZOM-MRVPVSSYSA-N 1 0 287.285 2.119 10 0 CEAERO CCCOc1cc(NC[C@@H]2CCCC[C@@H]2C[NH3+])ncn1 ZINC000090785741 180039934 /nfs/dbraw/zinc/03/99/34/180039934.db2.gz ZLPSZSPDBFVBLG-OLZOCXBDSA-N 1 0 278.400 2.442 10 0 CEAERO CCCOc1cc(NCc2ccccc2C[NH3+])ncn1 ZINC000090785165 180040028 /nfs/dbraw/zinc/04/00/28/180040028.db2.gz JGJHMPXUJQBLQT-UHFFFAOYSA-N 1 0 272.352 2.336 10 0 CEAERO CCOc1cc(N[C@H](C[NH3+])Cc2ccccc2)nc(C)n1 ZINC000090788390 180041389 /nfs/dbraw/zinc/04/13/89/180041389.db2.gz UUDPUZKJKMDGMJ-AWEZNQCLSA-N 1 0 286.379 2.166 10 0 CEAERO CCOc1cc(NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nc(C)n1 ZINC000090791944 180042664 /nfs/dbraw/zinc/04/26/64/180042664.db2.gz FCIZNODXRFBXSY-AGUYFDCRSA-N 1 0 290.411 2.468 10 0 CEAERO C[C@@H](C[NH2+]C1C2CC3CC(C2)CC1C3)[S@@](C)=O ZINC000090842606 180044692 /nfs/dbraw/zinc/04/46/92/180044692.db2.gz XLJJEWTYMWRIMY-YTLRVUQFSA-N 1 0 255.427 2.168 10 0 CEAERO CS(=O)(=O)c1cccc(O[C@H]2C[C@@H]([NH3+])C23CCCC3)c1 ZINC000090862036 180047393 /nfs/dbraw/zinc/04/73/93/180047393.db2.gz NNMNUHKMARGFES-KGLIPLIRSA-N 1 0 295.404 2.129 10 0 CEAERO CC[NH2+]Cc1cccc(SCCS(=O)(=O)CC)c1 ZINC000090871230 180049104 /nfs/dbraw/zinc/04/91/04/180049104.db2.gz MGKHDMMESARWLO-UHFFFAOYSA-N 1 0 287.450 2.323 10 0 CEAERO O=C1NC[C@@H](CSc2cccc(C[NH2+]C3CC3)c2)O1 ZINC000090872385 180049723 /nfs/dbraw/zinc/04/97/23/180049723.db2.gz FHTFWQAVPMOZRV-LBPRGKRZSA-N 1 0 278.377 2.139 10 0 CEAERO O=C1NC[C@H](CSc2cccc(C[NH2+]C3CC3)c2)O1 ZINC000090872386 180050088 /nfs/dbraw/zinc/05/00/88/180050088.db2.gz FHTFWQAVPMOZRV-GFCCVEGCSA-N 1 0 278.377 2.139 10 0 CEAERO CNC(=O)CSc1cccc(C[NH2+]CC(C)C)c1 ZINC000090872847 180050264 /nfs/dbraw/zinc/05/02/64/180050264.db2.gz OYGYKUHYFKNVSJ-UHFFFAOYSA-N 1 0 266.410 2.270 10 0 CEAERO CC[NH2+]C[C@@H]1CCCCN1C[C@@H]1Cc2ccccc2O1 ZINC000090875368 180051183 /nfs/dbraw/zinc/05/11/83/180051183.db2.gz PFUZWDQVDGXTKR-HOTGVXAUSA-N 1 0 274.408 2.454 10 0 CEAERO CCC(CC)N(CC[NH3+])C[C@H]1Cc2ccccc2O1 ZINC000090877563 180051936 /nfs/dbraw/zinc/05/19/36/180051936.db2.gz OBJQHBFSIWODJM-OAHLLOKOSA-N 1 0 262.397 2.439 10 0 CEAERO C[C@@H](CN1CCCC1)[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892385 180053757 /nfs/dbraw/zinc/05/37/57/180053757.db2.gz SCLHPBYAPPIUIR-WFASDCNBSA-N 1 0 278.371 2.203 10 0 CEAERO NC(=S)C1CC[NH+](C[C@@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090893198 180054723 /nfs/dbraw/zinc/05/47/23/180054723.db2.gz HWJUEYDMJWOKHD-ZDUSSCGKSA-N 1 0 294.395 2.127 10 0 CEAERO CCC[N@@H+](CC(N)=S)C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893181 180054861 /nfs/dbraw/zinc/05/48/61/180054861.db2.gz FSLWYRJIMSCMFQ-LBPRGKRZSA-N 1 0 282.384 2.127 10 0 CEAERO Fc1ccc2c(c1)C[C@H](CSCC1C[NH2+]C1)O2 ZINC000090893467 180055001 /nfs/dbraw/zinc/05/50/01/180055001.db2.gz HFSWXOJYFWKLFC-GFCCVEGCSA-N 1 0 253.342 2.082 10 0 CEAERO OC[C@H]([NH2+]C[C@@H]1Cc2cc(F)ccc2O1)c1ccccc1 ZINC000090892760 180055027 /nfs/dbraw/zinc/05/50/27/180055027.db2.gz JMAMEOCRSIRQRV-HOTGVXAUSA-N 1 0 287.334 2.452 10 0 CEAERO CSCCC[NH2+]C[C@H]1Cc2cc(F)ccc2O1 ZINC000090892829 180055279 /nfs/dbraw/zinc/05/52/79/180055279.db2.gz GMYNXIBMMHIHCQ-GFCCVEGCSA-N 1 0 255.358 2.472 10 0 CEAERO Fc1ccc2c(c1)C[C@H](CN1CC[NH2+]CC13CCCC3)O2 ZINC000090896137 180056815 /nfs/dbraw/zinc/05/68/15/180056815.db2.gz GJBNQQLQGSATJC-OAHLLOKOSA-N 1 0 290.382 2.347 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[NH2+][C@@H](CO)CC(C)C)O2 ZINC000090897554 180057420 /nfs/dbraw/zinc/05/74/20/180057420.db2.gz HGYQZCCTNHFECC-HUUCEWRRSA-N 1 0 263.381 2.295 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[NH2+]C[C@@H]1CCC[C@@H]1CO)O2 ZINC000090898278 180057816 /nfs/dbraw/zinc/05/78/16/180057816.db2.gz YCQIYKIFLFBDRH-SQWLQELKSA-N 1 0 275.392 2.297 10 0 CEAERO CC[N@H+](CCC(=O)OC)C[C@H]1Cc2cc(C)ccc2O1 ZINC000090900802 180059141 /nfs/dbraw/zinc/05/91/41/180059141.db2.gz BDKPYGJADMQDJV-CQSZACIVSA-N 1 0 277.364 2.184 10 0 CEAERO Cc1ccc(C)c([C@@H](C[NH3+])N2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000090905709 180059855 /nfs/dbraw/zinc/05/98/55/180059855.db2.gz PPUAKTDEIIEVHX-IJEWVQPXSA-N 1 0 260.381 2.166 10 0 CEAERO OC1CC(C[NH2+]C[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000090905288 180060079 /nfs/dbraw/zinc/06/00/79/180060079.db2.gz DWGKCRFSBSMVDP-LDUAJXOISA-N 1 0 267.756 2.004 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](C[C@]1(CO)CCC[NH2+]C1)O2 ZINC000090902816 180060160 /nfs/dbraw/zinc/06/01/60/180060160.db2.gz KMEGYWJDTGUPRH-GOEBONIOSA-N 1 0 261.365 2.051 10 0 CEAERO Clc1ccc2c(c1)C[C@@H](C[NH2+][C@H]1CCCOC1)O2 ZINC000090904804 180060213 /nfs/dbraw/zinc/06/02/13/180060213.db2.gz JDZFTCQNBAJKLA-STQMWFEESA-N 1 0 267.756 2.412 10 0 CEAERO CC[NH2+]Cc1ccn(C[C@H]2Cc3cc(C)ccc3O2)n1 ZINC000090901944 180060446 /nfs/dbraw/zinc/06/04/46/180060446.db2.gz ZIPHTGFQHAROSB-OAHLLOKOSA-N 1 0 271.364 2.305 10 0 CEAERO Clc1ccc2c(c1)C[C@H](C[NH2+]C[C@H]1CCCO1)O2 ZINC000090903341 180060464 /nfs/dbraw/zinc/06/04/64/180060464.db2.gz UJDGFFUSWIHTBX-CHWSQXEVSA-N 1 0 267.756 2.412 10 0 CEAERO CC[NH2+]Cc1cccc(CN2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000090907977 180062001 /nfs/dbraw/zinc/06/20/01/180062001.db2.gz VPBJHLVUIDIREJ-IYBDPMFKSA-N 1 0 260.381 2.159 10 0 CEAERO CCC[C@](C)(C[NH2+]C1CC1)CN1C[C@H]2CC[C@@H](C1)O2 ZINC000090907480 180062445 /nfs/dbraw/zinc/06/24/45/180062445.db2.gz LAQPGGFZBUPJOZ-OWCLPIDISA-N 1 0 266.429 2.408 10 0 CEAERO [NH3+]CCc1nc(CN2CCc3sccc3C2)cs1 ZINC000090957923 180075163 /nfs/dbraw/zinc/07/51/63/180075163.db2.gz ADJMTMRNCQGMGQ-UHFFFAOYSA-N 1 0 279.434 2.264 10 0 CEAERO COC[C@@H]([NH2+]Cc1sccc1NC(C)=O)C(C)C ZINC000090960837 180076280 /nfs/dbraw/zinc/07/62/80/180076280.db2.gz QZJDERVAZNMGKY-GFCCVEGCSA-N 1 0 270.398 2.467 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](C2CC2)CN1C[C@@H]1Cc2ccccc21 ZINC000090982228 180079513 /nfs/dbraw/zinc/07/95/13/180079513.db2.gz HWXLRZVVLXTUTI-ISTRZQFTSA-N 1 0 256.393 2.399 10 0 CEAERO c1ccc2c(c1)C[C@H]2c1nnc(CC[NH2+]C2CC2)o1 ZINC000090986847 180080700 /nfs/dbraw/zinc/08/07/00/180080700.db2.gz URKPHBGZNKOFMQ-CYBMUJFWSA-N 1 0 255.321 2.052 10 0 CEAERO [NH3+][C@@H](CNC(=O)[C@H]1Cc2ccccc21)c1ccccc1 ZINC000090985444 180080987 /nfs/dbraw/zinc/08/09/87/180080987.db2.gz PNJVJNOIBUDBLP-HOTGVXAUSA-N 1 0 266.344 2.143 10 0 CEAERO CCN(CC)C(=O)[C@H](C)[NH2+]C[C@H]1Cc2ccccc21 ZINC000090992600 180082424 /nfs/dbraw/zinc/08/24/24/180082424.db2.gz KZCUTKFSXXMKMR-GXTWGEPZSA-N 1 0 260.381 2.173 10 0 CEAERO CCC(CC)NC(=O)Cn1cc(C[NH3+])c2ccccc21 ZINC000090995006 180082635 /nfs/dbraw/zinc/08/26/35/180082635.db2.gz BYKAFMXLNRWQER-UHFFFAOYSA-N 1 0 273.380 2.405 10 0 CEAERO [NH3+]Cc1ccn(CC(=O)Nc2ccccc2Cl)c1 ZINC000090995252 180082656 /nfs/dbraw/zinc/08/26/56/180082656.db2.gz MYBRTDKRURCHHG-UHFFFAOYSA-N 1 0 263.728 2.239 10 0 CEAERO [NH3+]Cc1cccn1CC(=O)Nc1cccc(Cl)c1 ZINC000090995104 180082815 /nfs/dbraw/zinc/08/28/15/180082815.db2.gz FSBQATNEAIMAIR-UHFFFAOYSA-N 1 0 263.728 2.239 10 0 CEAERO CC(C)[C@@H](C)NC(=O)Cn1cc(C[NH3+])c2ccccc21 ZINC000090995021 180082844 /nfs/dbraw/zinc/08/28/44/180082844.db2.gz ISJWKOPBOZXWFL-GFCCVEGCSA-N 1 0 273.380 2.261 10 0 CEAERO CCc1nn(CC)c(Cn2ccc(C[NH3+])c2)c1Cl ZINC000090995249 180082893 /nfs/dbraw/zinc/08/28/93/180082893.db2.gz QLISBRCNDMYART-UHFFFAOYSA-N 1 0 266.776 2.427 10 0 CEAERO C[NH2+]Cc1cccn1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090995836 180082908 /nfs/dbraw/zinc/08/29/08/180082908.db2.gz PNKXSCAUKUWGBD-AWEZNQCLSA-N 1 0 260.312 2.350 10 0 CEAERO COC(=O)Cn1cc(C[NH2+]C2CC2)c2ccccc21 ZINC000090995537 180082987 /nfs/dbraw/zinc/08/29/87/180082987.db2.gz DJSUBVKDOUYMTE-UHFFFAOYSA-N 1 0 258.321 2.066 10 0 CEAERO CC[NH2+]Cc1cccn1CC(=O)Nc1ccc(OC)cc1 ZINC000090995962 180083311 /nfs/dbraw/zinc/08/33/11/180083311.db2.gz DLNXFJMRQIYNDD-UHFFFAOYSA-N 1 0 287.363 2.245 10 0 CEAERO CC(C)[NH2+]Cc1cccn1CC(=O)N[C@@H](C)C(C)C ZINC000091001142 180083477 /nfs/dbraw/zinc/08/34/77/180083477.db2.gz FUZATCQJGJIKMM-ZDUSSCGKSA-N 1 0 265.401 2.147 10 0 CEAERO CCC[C@H](C)NC(=O)Cn1cccc1C[NH2+]C(C)C ZINC000091001077 180083534 /nfs/dbraw/zinc/08/35/34/180083534.db2.gz MFPAAPAZFZCEHQ-ZDUSSCGKSA-N 1 0 265.401 2.291 10 0 CEAERO CC(C)C[NH2+]Cc1nccn1CCOCC(F)(F)F ZINC000091002819 180083963 /nfs/dbraw/zinc/08/39/63/180083963.db2.gz SPDSPUDZDYPOAL-UHFFFAOYSA-N 1 0 279.306 2.208 10 0 CEAERO CC(C)(C)NC(=O)Cn1ccc(C[NH2+]C(C)(C)C)c1 ZINC000091004168 180084129 /nfs/dbraw/zinc/08/41/29/180084129.db2.gz MKMCASBLZLGCEJ-UHFFFAOYSA-N 1 0 265.401 2.291 10 0 CEAERO C[NH2+]Cc1cn(CC[C@@H]2CCCO2)c2ncccc12 ZINC000091019702 180087720 /nfs/dbraw/zinc/08/77/20/180087720.db2.gz WHCRXXQGUHPNES-ZDUSSCGKSA-N 1 0 259.353 2.325 10 0 CEAERO CC(C)[NH2+]Cc1cn(CCCCO)c2ncccc12 ZINC000091020545 180088046 /nfs/dbraw/zinc/08/80/46/180088046.db2.gz OZTGGMLUVDSRHT-UHFFFAOYSA-N 1 0 261.369 2.307 10 0 CEAERO CC[NH2+]Cc1cn(CC(=O)OC(C)C)c2ncccc12 ZINC000091020120 180088329 /nfs/dbraw/zinc/08/83/29/180088329.db2.gz YLCJPEXHNLUSNI-UHFFFAOYSA-N 1 0 275.352 2.097 10 0 CEAERO CCn1cc(Cn2cc(C[C@@H](C)[NH3+])c3cccnc32)cn1 ZINC000091021756 180088663 /nfs/dbraw/zinc/08/86/63/180088663.db2.gz OBFFVDSELXAMNK-GFCCVEGCSA-N 1 0 283.379 2.191 10 0 CEAERO [NH3+]CCc1cn(CC[C@@H]2CCCO2)c2ncccc12 ZINC000091021445 180088961 /nfs/dbraw/zinc/08/89/61/180088961.db2.gz PUQHXODVQXDRTA-ZDUSSCGKSA-N 1 0 259.353 2.107 10 0 CEAERO CCCn1cccc1C[NH2+]C[C@H]1CCC[C@H]1CO ZINC000091127995 180099634 /nfs/dbraw/zinc/09/96/34/180099634.db2.gz OKGZYCKFFGZTDB-KGLIPLIRSA-N 1 0 250.386 2.396 10 0 CEAERO C(c1nnc(C2CCCCC2)[nH]1)[C@H]1CSCC[NH2+]1 ZINC000091129556 180100844 /nfs/dbraw/zinc/10/08/44/180100844.db2.gz WSMMVKPFPFXUQM-NSHDSACASA-N 1 0 266.414 2.100 10 0 CEAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CCC[NH2+][C@H]21 ZINC000669385041 539766375 /nfs/dbraw/zinc/76/63/75/539766375.db2.gz UZPSRRZDYUNCBW-IJLUTSLNSA-N 1 0 254.374 2.432 10 0 CEAERO CCCNC(=O)C[C@H](CN)[N@@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000091317716 180133694 /nfs/dbraw/zinc/13/36/94/180133694.db2.gz VHTDBGAVGYVTGW-LSDHHAIUSA-N 1 0 297.487 2.378 10 0 CEAERO [NH3+]C[C@@H](CC(=O)N1CCCC1)Nc1cccc(Cl)c1 ZINC000091324901 180134521 /nfs/dbraw/zinc/13/45/21/180134521.db2.gz BDYNITNMKUSEJI-CYBMUJFWSA-N 1 0 281.787 2.092 10 0 CEAERO CC(C)(C)NC(=O)C[C@@H](C[NH3+])Nc1ccc(Cl)cc1 ZINC000091321795 180134553 /nfs/dbraw/zinc/13/45/53/180134553.db2.gz YDJAJRJVMUSOQX-LBPRGKRZSA-N 1 0 283.803 2.384 10 0 CEAERO CCN(c1cccc(C)c1)[C@@H](C[NH3+])CC(=O)N1CCCC1 ZINC000091323337 180134738 /nfs/dbraw/zinc/13/47/38/180134738.db2.gz CVSLXXDNOCAGIN-MRXNPFEDSA-N 1 0 289.423 2.161 10 0 CEAERO CCc1c(C[NH2+]C)cnn1-c1ccc(F)cc1F ZINC000091335401 180136430 /nfs/dbraw/zinc/13/64/30/180136430.db2.gz RPMDLGQLABUCMU-UHFFFAOYSA-N 1 0 251.280 2.432 10 0 CEAERO CC[C@@H]1CO[C@H](C)CN1C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091359642 180140296 /nfs/dbraw/zinc/14/02/96/180140296.db2.gz YLGXTHKGRNRXSB-LEOABGAYSA-N 1 0 294.439 2.323 10 0 CEAERO COc1ncccc1NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000091359844 180140605 /nfs/dbraw/zinc/14/06/05/180140605.db2.gz LYNMGJXUYLUDCS-AGIUHOORSA-N 1 0 289.379 2.340 10 0 CEAERO CN(C[C@@H]1CCCOC1)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091361334 180141076 /nfs/dbraw/zinc/14/10/76/180141076.db2.gz SMRAJMGWEMFVDZ-VGWMRTNUSA-N 1 0 294.439 2.182 10 0 CEAERO O=C(NCCc1cscn1)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000091361368 180141601 /nfs/dbraw/zinc/14/16/01/180141601.db2.gz USTUGLAHRUMCIL-XBFCOCLRSA-N 1 0 293.436 2.113 10 0 CEAERO Cc1nn(C)c(S[C@@H](C)CCO)c1C[NH2+]C(C)(C)C ZINC000091268351 180117244 /nfs/dbraw/zinc/11/72/44/180117244.db2.gz NFSHYWCSESWDMC-JTQLQIEISA-N 1 0 285.457 2.480 10 0 CEAERO CC(C)(C)N1C(=O)CCC[C@@H]([NH3+])[C@@H]1c1cncn1C1CC1 ZINC000091275605 180118520 /nfs/dbraw/zinc/11/85/20/180118520.db2.gz VCGFUWYOXBBADW-IUODEOHRSA-N 1 0 290.411 2.397 10 0 CEAERO CCC[NH2+]C[C@H]1CCN(C)[C@@H]1c1cncn1C1CC1 ZINC000091275412 180118559 /nfs/dbraw/zinc/11/85/59/180118559.db2.gz LYPBRZUEHHYODU-DOMZBBRYSA-N 1 0 262.401 2.210 10 0 CEAERO CC(C)CN1C(=O)CCC[C@@H]([NH3+])[C@H]1c1cncn1C1CC1 ZINC000091275608 180118631 /nfs/dbraw/zinc/11/86/31/180118631.db2.gz XVUKBLCNQYDELI-CJNGLKHVSA-N 1 0 290.411 2.255 10 0 CEAERO CC(C)(C)N1C(=O)CC[C@@H]([NH3+])[C@@H]1c1cncn1C1CC1 ZINC000091275544 180118690 /nfs/dbraw/zinc/11/86/90/180118690.db2.gz VTRFWJPVOIIDSM-BXUZGUMPSA-N 1 0 276.384 2.007 10 0 CEAERO CC(C)(C)N1C(=O)CCC[C@@H]([NH3+])[C@H]1c1cncn1C1CC1 ZINC000091275604 180118697 /nfs/dbraw/zinc/11/86/97/180118697.db2.gz VCGFUWYOXBBADW-DOMZBBRYSA-N 1 0 290.411 2.397 10 0 CEAERO CN1CCC[C@@H](C[NH2+]C2CC2)[C@@H]1c1cncn1C1CC1 ZINC000091275404 180118701 /nfs/dbraw/zinc/11/87/01/180118701.db2.gz NOIBLIQCECXMII-BLLLJJGKSA-N 1 0 274.412 2.353 10 0 CEAERO CC[C@@H](C)N(CC)[C@@H](C[NH3+])c1cncn1C1CC1 ZINC000091276235 180120224 /nfs/dbraw/zinc/12/02/24/180120224.db2.gz ZGKGXXHILJOPLP-YPMHNXCESA-N 1 0 250.390 2.338 10 0 CEAERO O=C(C[C@@H]1CSCC[NH2+]1)Nc1cc(F)cc(F)c1F ZINC000091291128 180122698 /nfs/dbraw/zinc/12/26/98/180122698.db2.gz CQLHEFJKICJINV-MRVPVSSYSA-N 1 0 290.310 2.138 10 0 CEAERO CN(CC[C@H]1CSCC[NH2+]1)Cc1cccc(F)c1 ZINC000091292008 180123543 /nfs/dbraw/zinc/12/35/43/180123543.db2.gz LKWJPXRXQPNDFA-AWEZNQCLSA-N 1 0 268.401 2.353 10 0 CEAERO CCN(CC[C@@H]1CSCC[NH2+]1)Cc1ccco1 ZINC000091292081 180123597 /nfs/dbraw/zinc/12/35/97/180123597.db2.gz QBOOLTHRDWQDJQ-GFCCVEGCSA-N 1 0 254.399 2.197 10 0 CEAERO CC1(C)CC[N@H+](C[C@@H](O)c2ccc3c(c2)OCO3)C1 ZINC000091439746 180156079 /nfs/dbraw/zinc/15/60/79/180156079.db2.gz XHRZOVNCAZBHLQ-GFCCVEGCSA-N 1 0 263.337 2.181 10 0 CEAERO C[C@H]1C[N@H+](C[C@H](O)c2ccc3c(c2)OCCO3)C[C@H]1C ZINC000091440039 180156525 /nfs/dbraw/zinc/15/65/25/180156525.db2.gz QUXAEIRVALCRSQ-SCRDCRAPSA-N 1 0 277.364 2.079 10 0 CEAERO CC(C)Cn1ncnc1C[C@@]1(C(C)C)CCC[NH2+]1 ZINC000091445772 180157041 /nfs/dbraw/zinc/15/70/41/180157041.db2.gz NOCCMFSNVVYSTE-CQSZACIVSA-N 1 0 250.390 2.255 10 0 CEAERO CCCNc1cccc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000091449379 180157637 /nfs/dbraw/zinc/15/76/37/180157637.db2.gz RXZHVWXXKXLJJJ-CYBMUJFWSA-N 1 0 290.411 2.070 10 0 CEAERO CC[C@@H]1CN(C(=O)c2ccncc2Cl)[C@H](CC)C[NH2+]1 ZINC000091457083 180160029 /nfs/dbraw/zinc/16/00/29/180160029.db2.gz MYXOXOZFIZLFCX-GHMZBOCLSA-N 1 0 281.787 2.338 10 0 CEAERO Clc1cnccc1-c1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000091464118 180162514 /nfs/dbraw/zinc/16/25/14/180162514.db2.gz CNDGFDQNFYRUGJ-SECBINFHSA-N 1 0 278.743 2.327 10 0 CEAERO CCC(CC)n1ccc(C[C@@](C)(O)CC[NH2+]C)n1 ZINC000091465707 180163716 /nfs/dbraw/zinc/16/37/16/180163716.db2.gz JREIOYFNHGDQEW-AWEZNQCLSA-N 1 0 253.390 2.147 10 0 CEAERO CCC[NH2+]CC[C@](C)(O)c1ccc2c(c1)OCCCO2 ZINC000091466810 180164272 /nfs/dbraw/zinc/16/42/72/180164272.db2.gz FPGWPDRINZSEKH-INIZCTEOSA-N 1 0 279.380 2.445 10 0 CEAERO CC(C)(C)c1ccc(OCC[NH+]2CC(CO)C2)cc1 ZINC000091467626 180164496 /nfs/dbraw/zinc/16/44/96/180164496.db2.gz ZSZFCEWDWRTXCV-UHFFFAOYSA-N 1 0 263.381 2.287 10 0 CEAERO CCc1nn(CC)c(C[C@@H](O)C[NH2+]C(C)(C)C)c1Cl ZINC000091470568 180164884 /nfs/dbraw/zinc/16/48/84/180164884.db2.gz HCTDSOOCJMZGLD-SNVBAGLBSA-N 1 0 287.835 2.410 10 0 CEAERO CCC[NH2+]CC[C@@](C)(O)Cc1c(Cl)c(C)nn1C ZINC000091469647 180164973 /nfs/dbraw/zinc/16/49/73/180164973.db2.gz UCVMMOGKYSHMDB-CYBMUJFWSA-N 1 0 273.808 2.065 10 0 CEAERO CCN1C(=O)C[C@H]([NH3+])[C@H]1c1ccc(Br)c(C)c1 ZINC000091476284 180165848 /nfs/dbraw/zinc/16/58/48/180165848.db2.gz VUSWGADBXIFGPG-WCQYABFASA-N 1 0 297.196 2.378 10 0 CEAERO Cc1ccccc1[C@@H](N)CC[N@@H+](C)CC1CC(O)C1 ZINC000091490364 180169890 /nfs/dbraw/zinc/16/98/90/180169890.db2.gz VINXPRJTXZIVJQ-XUJLQICISA-N 1 0 262.397 2.088 10 0 CEAERO CC1(C)C(C(=O)N2CCC[C@H]2CCC[NH3+])C1(C)C ZINC000091494720 180171576 /nfs/dbraw/zinc/17/15/76/180171576.db2.gz IXIGTKPPTALJKD-LLVKDONJSA-N 1 0 252.402 2.399 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)Nc1ccc(F)cc1 ZINC000091496760 180172493 /nfs/dbraw/zinc/17/24/93/180172493.db2.gz JPHGTWWFOPSAMR-BXKDBHETSA-N 1 0 251.305 2.088 10 0 CEAERO C[C@H](NC(=O)C1C[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000091408859 180148207 /nfs/dbraw/zinc/14/82/07/180148207.db2.gz JQKUNHOLPUQLTQ-QMMMGPOBSA-N 1 0 272.270 2.102 10 0 CEAERO c1ncc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)o1 ZINC000091409751 180148349 /nfs/dbraw/zinc/14/83/49/180148349.db2.gz FAKOHETXJSUOQD-CQSZACIVSA-N 1 0 257.337 2.039 10 0 CEAERO CCN(CC(F)(F)F)c1cncc(C[NH2+]C(C)C)n1 ZINC000091419767 180150520 /nfs/dbraw/zinc/15/05/20/180150520.db2.gz KGLIMORNSWNBQR-UHFFFAOYSA-N 1 0 276.306 2.363 10 0 CEAERO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CC(=O)N(C(C)C)C1=O ZINC000105083388 186040367 /nfs/dbraw/zinc/04/03/67/186040367.db2.gz WHOLPRDHJKVHEA-TZMCWYRMSA-N 1 0 274.364 2.182 10 0 CEAERO CC[NH2+][C@@H](c1cncnc1)C(C)(C)N1CCCCC1 ZINC000091565078 180193709 /nfs/dbraw/zinc/19/37/09/180193709.db2.gz OAWXYGQSIZZQNB-AWEZNQCLSA-N 1 0 262.401 2.392 10 0 CEAERO CCn1nccc1[C@H](N)C(C)(C)[NH+]1CCCCC1 ZINC000091564354 180193774 /nfs/dbraw/zinc/19/37/74/180193774.db2.gz YOXAMTFBOZCPRW-ZDUSSCGKSA-N 1 0 250.390 2.167 10 0 CEAERO CC(C)([C@H]([NH3+])Cc1cccc(Cl)c1)N1CCOCC1 ZINC000091566385 180194207 /nfs/dbraw/zinc/19/42/07/180194207.db2.gz FOUUGRQVZNIIJC-CQSZACIVSA-N 1 0 282.815 2.321 10 0 CEAERO CCC[NH2+][C@@H](c1ccco1)C(C)(C)N1CCOCC1 ZINC000091567140 180194948 /nfs/dbraw/zinc/19/49/48/180194948.db2.gz SPXODUXBHQWFTB-AWEZNQCLSA-N 1 0 266.385 2.431 10 0 CEAERO CC(C)([C@H](O)c1cnccc1N)[NH+]1CCCCCC1 ZINC000091567740 180194993 /nfs/dbraw/zinc/19/49/93/180194993.db2.gz SOFDULMZLYKPAD-CQSZACIVSA-N 1 0 263.385 2.352 10 0 CEAERO CCc1cc(CC(=O)[C@](C)(CC)[NH+](C)C)n(CC)n1 ZINC000091568723 180195062 /nfs/dbraw/zinc/19/50/62/180195062.db2.gz UWEJPKBVTLTCKG-HNNXBMFYSA-N 1 0 265.401 2.307 10 0 CEAERO CCn1ncnc1C[C@H]([NH2+]C)C(C)(C)N1CCCCCC1 ZINC000091568370 180195156 /nfs/dbraw/zinc/19/51/56/180195156.db2.gz IDJOGIFLASPZDQ-AWEZNQCLSA-N 1 0 293.459 2.083 10 0 CEAERO CC[C@@](C)([C@H](N)Cc1cccc(OC)c1)[NH+](C)C ZINC000091570028 180195694 /nfs/dbraw/zinc/19/56/94/180195694.db2.gz INMRHNVKWQHRRX-CABCVRRESA-N 1 0 250.386 2.295 10 0 CEAERO CC[C@](C)([C@H](O)Cc1ccncc1Cl)[NH+](C)C ZINC000091569157 180195806 /nfs/dbraw/zinc/19/58/06/180195806.db2.gz KPJDWLSZQBTKIU-CHWSQXEVSA-N 1 0 256.777 2.369 10 0 CEAERO CC[C@@](C)([C@H](O)Cc1ccn(C(C)C)n1)[NH+](C)C ZINC000091569472 180195936 /nfs/dbraw/zinc/19/59/36/180195936.db2.gz GOBFWGBPWLXQJH-KGLIPLIRSA-N 1 0 253.390 2.098 10 0 CEAERO CCC[NH2+][C@H](c1cnn(C)c1)[C@](C)(CC)N(C)C ZINC000091572023 180196368 /nfs/dbraw/zinc/19/63/68/180196368.db2.gz ANWLKOWJALBRBV-KGLIPLIRSA-N 1 0 252.406 2.191 10 0 CEAERO CCc1cc(C[C@@H](N)[C@@](C)(CC)[NH+](CC)CC)n(C)n1 ZINC000091573873 180196442 /nfs/dbraw/zinc/19/64/42/180196442.db2.gz IKYQQAGCYKWXHS-HZPDHXFCSA-N 1 0 280.460 2.363 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)C(=O)CCCS(=O)(=O)CC ZINC000091572681 180196534 /nfs/dbraw/zinc/19/65/34/180196534.db2.gz GDZHLHWAAOYYLB-CQSZACIVSA-N 1 0 291.457 2.281 10 0 CEAERO CC[C@@H]([NH2+][C@@H]1CC(=O)N(C(C)C)C1=O)c1cccs1 ZINC000105088504 186042063 /nfs/dbraw/zinc/04/20/63/186042063.db2.gz NTOIEABYBTUJMV-GHMZBOCLSA-N 1 0 280.393 2.325 10 0 CEAERO CC[C@](C)([C@H](NC)c1cc(C)cnc1N)[NH+]1CCCC1 ZINC000091606173 180204115 /nfs/dbraw/zinc/20/41/15/180204115.db2.gz INOUANOGDVAXSK-GDBMZVCRSA-N 1 0 276.428 2.497 10 0 CEAERO CCn1ccnc1[C@H](NC)[C@@](C)(CC)[NH+]1CCCC1 ZINC000091606728 180204594 /nfs/dbraw/zinc/20/45/94/180204594.db2.gz QGKXBVUBYBPILG-DZGCQCFKSA-N 1 0 264.417 2.428 10 0 CEAERO CC[C@](C)([C@@H]([NH3+])c1ccccc1C)N1CCOCC1 ZINC000091611584 180206232 /nfs/dbraw/zinc/20/62/32/180206232.db2.gz GLCCFDJARMQWNG-JKSUJKDBSA-N 1 0 262.397 2.496 10 0 CEAERO CC[C@@](C)([C@@H](Cc1cccs1)[NH2+]C)N1CCOCC1 ZINC000091612465 180207382 /nfs/dbraw/zinc/20/73/82/180207382.db2.gz HKHKBIOCJLXKED-CABCVRRESA-N 1 0 282.453 2.380 10 0 CEAERO CCc1cc(CC(=O)C(CC)(CC)[NH+](C)C)n(C)n1 ZINC000091613372 180207920 /nfs/dbraw/zinc/20/79/20/180207920.db2.gz HBMURXVRAPBKOD-UHFFFAOYSA-N 1 0 265.401 2.215 10 0 CEAERO CCc1cc(C[C@@H](O)C(CC)(CC)[NH+](C)C)n(CC)n1 ZINC000091613488 180207998 /nfs/dbraw/zinc/20/79/98/180207998.db2.gz HRBXDQVDSAUTJJ-OAHLLOKOSA-N 1 0 281.444 2.489 10 0 CEAERO CC[NH+](CC)C(CC)(CC)[C@@H](N)c1nccn1C ZINC000091615892 180208199 /nfs/dbraw/zinc/20/81/99/180208199.db2.gz GDJYUBNGXWQXDH-LBPRGKRZSA-N 1 0 252.406 2.321 10 0 CEAERO Cc1nc(NC(=O)C[C@H]2CCC[NH2+]2)ccc1Br ZINC000091507304 180176288 /nfs/dbraw/zinc/17/62/88/180176288.db2.gz DLGATFMISSEWKY-SECBINFHSA-N 1 0 298.184 2.233 10 0 CEAERO Cc1cc(F)cc(NC(=O)c2csc(CC[NH3+])n2)c1 ZINC000091514061 180176739 /nfs/dbraw/zinc/17/67/39/180176739.db2.gz BCYQWPMTAPHFIH-UHFFFAOYSA-N 1 0 279.340 2.344 10 0 CEAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]CC1CC(O)C1 ZINC000091525923 180179167 /nfs/dbraw/zinc/17/91/67/180179167.db2.gz PLBWYGSNMROEER-GNRIBBGQSA-N 1 0 298.427 2.040 10 0 CEAERO CCC[NH2+][C@H](Cc1cc(C)nn1CC)C(C)(C)N(C)C ZINC000091529491 180180269 /nfs/dbraw/zinc/18/02/69/180180269.db2.gz IJLZJMCDOPXCKW-OAHLLOKOSA-N 1 0 280.460 2.462 10 0 CEAERO CCN(CC)C(C)(C)[C@@H]([NH2+]C)c1ccnn1CC ZINC000091530676 180180457 /nfs/dbraw/zinc/18/04/57/180180457.db2.gz YQLVPFIZDXYLJG-ZDUSSCGKSA-N 1 0 252.406 2.284 10 0 CEAERO CC[NH2+][C@H](Cc1ccnc(N)c1)C(C)(C)N(CC)CC ZINC000091531291 180180634 /nfs/dbraw/zinc/18/06/34/180180634.db2.gz BVSSIJPUGJDEST-CQSZACIVSA-N 1 0 278.444 2.305 10 0 CEAERO COc1ccc(OC)c([C@@H](N)C(C)(C)[NH+](C)C)c1 ZINC000091528521 180180678 /nfs/dbraw/zinc/18/06/78/180180678.db2.gz GMCZDYICNVOSDH-CYBMUJFWSA-N 1 0 252.358 2.044 10 0 CEAERO CCC[NH2+][C@H](c1cccnc1N)C(C)(C)N(C)C ZINC000091529635 180180729 /nfs/dbraw/zinc/18/07/29/180180729.db2.gz SLMNWUXQQLDQHQ-GFCCVEGCSA-N 1 0 250.390 2.045 10 0 CEAERO CC[NH2+][C@H](Cc1nn(C)c2ccccc12)C(C)(C)N(C)C ZINC000091528959 180180988 /nfs/dbraw/zinc/18/09/88/180180988.db2.gz SIOYUAJHCWYQGX-MRXNPFEDSA-N 1 0 288.439 2.434 10 0 CEAERO COc1ccccc1C[C@@H](O)C(C)(C)[NH+]1CCCC1 ZINC000091533272 180181456 /nfs/dbraw/zinc/18/14/56/180181456.db2.gz SKVTUFSOYRDGQL-OAHLLOKOSA-N 1 0 263.381 2.473 10 0 CEAERO COc1ccccc1C[C@H](N)C(C)(C)[NH+]1CCCC1 ZINC000091534222 180181650 /nfs/dbraw/zinc/18/16/50/180181650.db2.gz GSUUMALVWWBTOW-HNNXBMFYSA-N 1 0 262.397 2.439 10 0 CEAERO CC[NH2+][C@@H](c1cnccc1N)C(C)(C)N1CCCC1 ZINC000091535340 180182342 /nfs/dbraw/zinc/18/23/42/180182342.db2.gz FYKZBNBGUGHSQF-AWEZNQCLSA-N 1 0 262.401 2.189 10 0 CEAERO CCCS(=O)(=O)c1ccc(NCC2CC([NH3+])C2)cc1 ZINC000091538263 180183266 /nfs/dbraw/zinc/18/32/66/180183266.db2.gz PAXJCJIYQIRXDA-UHFFFAOYSA-N 1 0 282.409 2.020 10 0 CEAERO [NH3+][C@@H]1CC[C@H](C(=O)Nc2cccc3cnccc32)C1 ZINC000091543519 180185076 /nfs/dbraw/zinc/18/50/76/180185076.db2.gz UCUNGJLQWVSOME-CMPLNLGQSA-N 1 0 255.321 2.301 10 0 CEAERO CCCN1C(=O)C[C@H]([NH2+][C@H](C)c2ccc(C)s2)C1=O ZINC000105034607 186038268 /nfs/dbraw/zinc/03/82/68/186038268.db2.gz KRZRXLDHYYFZNU-MNOVXSKESA-N 1 0 280.393 2.245 10 0 CEAERO [NH3+][C@H]1CC[C@@H](C(=O)Nc2ccc(N3CCCC3)cc2)C1 ZINC000091546250 180186991 /nfs/dbraw/zinc/18/69/91/180186991.db2.gz FOTWDJCNJICAPS-OLZOCXBDSA-N 1 0 273.380 2.353 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](C(=O)Nc2cc(F)c(F)cc2F)C1 ZINC000091546037 180187161 /nfs/dbraw/zinc/18/71/61/180187161.db2.gz CYKSKSSEGZDYPJ-RNFRBKRXSA-N 1 0 258.243 2.170 10 0 CEAERO Cc1ccc(CN(C(=O)[C@H]2CC[C@H]([NH3+])C2)C(C)C)o1 ZINC000091549011 180188397 /nfs/dbraw/zinc/18/83/97/180188397.db2.gz FJQHPOBWLKMLIY-STQMWFEESA-N 1 0 264.369 2.452 10 0 CEAERO CCC1CCC([NH2+][C@H]2CC(=O)N(C(C)C)C2=O)CC1 ZINC000105025771 186038916 /nfs/dbraw/zinc/03/89/16/186038916.db2.gz SEPXXLMRILSSSM-BPCQOVAHSA-N 1 0 266.385 2.081 10 0 CEAERO COc1cccc(C[C@@H](O)C2([NH+](C)C)CCCC2)c1 ZINC000091636981 180210964 /nfs/dbraw/zinc/21/09/64/180210964.db2.gz LMSHJSFKFAMGDY-OAHLLOKOSA-N 1 0 263.381 2.473 10 0 CEAERO CCn1ncnc1C[C@@H]([NH2+]C)C(CC)(CC)N1CCCC1 ZINC000091635302 180211149 /nfs/dbraw/zinc/21/11/49/180211149.db2.gz DJHFODZMFLFZNV-CQSZACIVSA-N 1 0 293.459 2.083 10 0 CEAERO CCC(CC)([C@@H](O)Cc1cccnc1N)[NH+]1CCCC1 ZINC000091634587 180211466 /nfs/dbraw/zinc/21/14/66/180211466.db2.gz SVOJQIHVFQQATL-AWEZNQCLSA-N 1 0 277.412 2.222 10 0 CEAERO CCN(CC)C1([C@@H](Cc2cnn(C)c2)[NH2+]C)CCCC1 ZINC000091639469 180211970 /nfs/dbraw/zinc/21/19/70/180211970.db2.gz CSXWDYVTRYGVTF-OAHLLOKOSA-N 1 0 278.444 2.205 10 0 CEAERO C[NH2+][C@@H](c1cc(Cl)cnc1N)C1(N(C)C)CCCC1 ZINC000091637558 180212099 /nfs/dbraw/zinc/21/20/99/180212099.db2.gz SFWRXZZMTKYGFE-LBPRGKRZSA-N 1 0 282.819 2.452 10 0 CEAERO CCCn1ccnc1[C@@H](NC)C1([NH+](C)C)CCCC1 ZINC000091637810 180212127 /nfs/dbraw/zinc/21/21/27/180212127.db2.gz LNQKKYRENSSQDL-CYBMUJFWSA-N 1 0 264.417 2.428 10 0 CEAERO CC[NH+](CC)C1([C@H](NC)c2cnn(C)c2)CCCC1 ZINC000091639555 180212216 /nfs/dbraw/zinc/21/22/16/180212216.db2.gz ZQINDJAPNWUABV-CQSZACIVSA-N 1 0 264.417 2.335 10 0 CEAERO O[C@@H](C1CCOCC1)C1([NH+]2CCCC2)CCCC1 ZINC000091640135 180212885 /nfs/dbraw/zinc/21/28/85/180212885.db2.gz ZUVAJBGQOVPLOR-AWEZNQCLSA-N 1 0 253.386 2.183 10 0 CEAERO CN[C@H](c1nccn1C)C1([NH+]2CCCC2)CCCC1 ZINC000091640914 180212886 /nfs/dbraw/zinc/21/28/86/180212886.db2.gz BWTPMDCSWUROLI-CYBMUJFWSA-N 1 0 262.401 2.089 10 0 CEAERO CCn1nccc1C(=O)C1([NH+]2CCCC2)CCCC1 ZINC000091640079 180213446 /nfs/dbraw/zinc/21/34/46/180213446.db2.gz LHGVXOYYCKDQDW-UHFFFAOYSA-N 1 0 261.369 2.494 10 0 CEAERO C[NH2+][C@@H](Cc1cnn(C)c1)C1(N2CCCCC2)CCCC1 ZINC000091642109 180213456 /nfs/dbraw/zinc/21/34/56/180213456.db2.gz FODDSWROFIWPCY-INIZCTEOSA-N 1 0 290.455 2.349 10 0 CEAERO O[C@@H](Cc1ccccc1F)C1([NH+]2CCOCC2)CCCC1 ZINC000091642798 180214352 /nfs/dbraw/zinc/21/43/52/180214352.db2.gz NQKYKCAGEGFWAF-INIZCTEOSA-N 1 0 293.382 2.374 10 0 CEAERO CCn1nccc1[C@@H]([NH2+]C)C1(N(C)C)CCCCC1 ZINC000091647406 180215412 /nfs/dbraw/zinc/21/54/12/180215412.db2.gz YXLNURQKIALXSO-CQSZACIVSA-N 1 0 264.417 2.428 10 0 CEAERO CC1CCC(C(=O)C2CCOCC2)([NH+](C)C)CC1 ZINC000091648227 180215635 /nfs/dbraw/zinc/21/56/35/180215635.db2.gz SJKDOKNNTLMCKS-UHFFFAOYSA-N 1 0 253.386 2.493 10 0 CEAERO CC1CCC(C(=O)Cc2cccnc2N)([NH+](C)C)CC1 ZINC000091648292 180215882 /nfs/dbraw/zinc/21/58/82/180215882.db2.gz JIYMEKIYDOJRFS-UHFFFAOYSA-N 1 0 275.396 2.286 10 0 CEAERO Cc1cc(CC(=O)[C@@]2([NH+](C)C)CCC[C@H](C)C2)n(C)n1 ZINC000091649660 180216064 /nfs/dbraw/zinc/21/60/64/180216064.db2.gz LMXBDPOMUPCLGY-BLLLJJGKSA-N 1 0 277.412 2.351 10 0 CEAERO C[C@@H]1CCC[C@](C(=O)Cc2cccnc2N)([NH+](C)C)C1 ZINC000091650486 180216688 /nfs/dbraw/zinc/21/66/88/180216688.db2.gz ZKEAFSRRUKHHLJ-WBMJQRKESA-N 1 0 275.396 2.286 10 0 CEAERO C[N@@H+]1CCCC[C@@H]1CNc1nc(Cl)ncc1F ZINC000091655515 180217967 /nfs/dbraw/zinc/21/79/67/180217967.db2.gz MFQGDETXJXGENX-MRVPVSSYSA-N 1 0 258.728 2.165 10 0 CEAERO Cc1cc2c(n1C[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)CCCC2=O ZINC000091679006 180225077 /nfs/dbraw/zinc/22/50/77/180225077.db2.gz QMRFBLRLJDYHIK-KGLIPLIRSA-N 1 0 288.391 2.179 10 0 CEAERO C[NH2+][C@H](Cc1c(C)cc(C)cc1C)[C@H]1CN(C)CCO1 ZINC000091717885 180232031 /nfs/dbraw/zinc/23/20/31/180232031.db2.gz ZEKXVCAMCAXGNM-IAGOWNOFSA-N 1 0 276.424 2.073 10 0 CEAERO CC[NH2+][C@@H](c1ccc(CC)cc1)[C@@H]1CN(C)CCO1 ZINC000091718746 180233171 /nfs/dbraw/zinc/23/31/71/180233171.db2.gz KMNGULFQECHFDE-HOTGVXAUSA-N 1 0 262.397 2.230 10 0 CEAERO CC[NH2+][C@H](Cc1c(C)cc(C)cc1C)[C@H]1CN(C)CCO1 ZINC000091718617 180233293 /nfs/dbraw/zinc/23/32/93/180233293.db2.gz NXYHHANDICAVJQ-QZTJIDSGSA-N 1 0 290.451 2.463 10 0 CEAERO CC[NH2+][C@@H](Cc1ccc(CC)cc1)[C@@H]1CN(C)CCO1 ZINC000091718282 180233408 /nfs/dbraw/zinc/23/34/08/180233408.db2.gz VUYLELVVFYYEBW-IRXDYDNUSA-N 1 0 276.424 2.100 10 0 CEAERO CC[NH2+][C@H](c1csc(C)c1)[C@H]1CN(C)CCO1 ZINC000091718813 180233613 /nfs/dbraw/zinc/23/36/13/180233613.db2.gz XECCIUAVKLJUBK-CHWSQXEVSA-N 1 0 254.399 2.038 10 0 CEAERO CC[NH2+][C@@H](c1ccccc1Cl)[C@@H]1CN(C)CCO1 ZINC000091718286 180233632 /nfs/dbraw/zinc/23/36/32/180233632.db2.gz YQDAAAMCILOSDT-KBPBESRZSA-N 1 0 268.788 2.321 10 0 CEAERO CCC[NH2+][C@H](C[C@@H]1Cc2ccccc21)[C@@H]1CN(C)CCO1 ZINC000091719079 180234033 /nfs/dbraw/zinc/23/40/33/180234033.db2.gz JTGOTZQKMHIELD-JQHSSLGASA-N 1 0 288.435 2.415 10 0 CEAERO CCC[NH2+][C@H](Cc1ccn([C@H](C)CC)n1)CN(C)C ZINC000091719931 180234214 /nfs/dbraw/zinc/23/42/14/180234214.db2.gz DYNCGSIABSAUAW-UKRRQHHQSA-N 1 0 266.433 2.326 10 0 CEAERO CCC[NH2+][C@@H](CCC(F)(F)F)[C@H]1CN(C)CCO1 ZINC000091719516 180234358 /nfs/dbraw/zinc/23/43/58/180234358.db2.gz HTSKZINJPITKCX-WDEREUQCSA-N 1 0 268.323 2.028 10 0 CEAERO CCC[NH2+][C@H](Cc1cccc(F)c1)[C@H]1CN(C)CCO1 ZINC000091719213 180234479 /nfs/dbraw/zinc/23/44/79/180234479.db2.gz NXOVIKCMVYSMBY-HZPDHXFCSA-N 1 0 280.387 2.067 10 0 CEAERO CC[NH2+][C@H](Cc1ccnc2ccccc12)CN(C)C ZINC000091719763 180234546 /nfs/dbraw/zinc/23/45/46/180234546.db2.gz PHJDYPCLMXCPEX-CQSZACIVSA-N 1 0 257.381 2.317 10 0 CEAERO CCC[NH2+][C@H](CCC[C@@H]1CCCO1)[C@@H]1CN(C)CCO1 ZINC000091719479 180234555 /nfs/dbraw/zinc/23/45/55/180234555.db2.gz XKLQOFYJLSMQHR-OAGGEKHMSA-N 1 0 284.444 2.035 10 0 CEAERO CCC[NH2+][C@H](CCc1ccsc1)[C@H]1CN(C)CCO1 ZINC000091719305 180234564 /nfs/dbraw/zinc/23/45/64/180234564.db2.gz JZZYEWDPZPRFTQ-HUUCEWRRSA-N 1 0 282.453 2.380 10 0 CEAERO CCC[NH2+][C@@H](c1cccc(OC)c1)[C@H]1CN(C)CCO1 ZINC000091719044 180234602 /nfs/dbraw/zinc/23/46/02/180234602.db2.gz AEPSWFDWUPSTAK-CVEARBPZSA-N 1 0 278.396 2.067 10 0 CEAERO C[NH2+][C@H](c1ccc(F)c(C)c1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091720960 180235071 /nfs/dbraw/zinc/23/50/71/180235071.db2.gz PVCLJSMIEKBRAV-FVQBIDKESA-N 1 0 278.371 2.258 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1cc2c(s1)CCCC2 ZINC000624237223 350240383 /nfs/dbraw/zinc/24/03/83/350240383.db2.gz RZRFIMMETJDFDE-UHTWSYAYSA-N 1 0 281.421 2.427 10 0 CEAERO CC[NH2+][C@H](c1cccc(OC)c1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721631 180238109 /nfs/dbraw/zinc/23/81/09/180238109.db2.gz KEUHRONNHDPIKV-DJIMGWMZSA-N 1 0 290.407 2.209 10 0 CEAERO CCCN(C(=O)c1ccc(CC)o1)[C@H]1CC[NH2+]C1 ZINC000091759707 180247727 /nfs/dbraw/zinc/24/77/27/180247727.db2.gz YJUZJPUOVKVJBU-NSHDSACASA-N 1 0 250.342 2.056 10 0 CEAERO CCc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2C[NH3+])o1 ZINC000091762963 180248252 /nfs/dbraw/zinc/24/82/52/180248252.db2.gz RQLUZBOKFMIIJU-DGCLKSJQSA-N 1 0 264.369 2.432 10 0 CEAERO CCc1ccc(C(=O)N2C[C@H](C[NH3+])CC[C@@H]2C)o1 ZINC000091762804 180248258 /nfs/dbraw/zinc/24/82/58/180248258.db2.gz BTHKXYMFXYXFKF-QWRGUYRKSA-N 1 0 250.342 2.041 10 0 CEAERO CCc1ccc(C(=O)N(CC)[C@H]2CCC[C@H]2C[NH3+])o1 ZINC000091762960 180248340 /nfs/dbraw/zinc/24/83/40/180248340.db2.gz RQNQOWZJOBMCGV-AAEUAGOBSA-N 1 0 264.369 2.432 10 0 CEAERO CCc1ccc(C(=O)NC[C@H]2CCCC[C@@H]2C[NH3+])o1 ZINC000091777351 180251653 /nfs/dbraw/zinc/25/16/53/180251653.db2.gz BZZJHMXCYRUPRA-VXGBXAGGSA-N 1 0 264.369 2.337 10 0 CEAERO CCc1ccc(C(=O)NC[C@@H]2CCCC[C@H]2[NH3+])o1 ZINC000091777332 180251702 /nfs/dbraw/zinc/25/17/02/180251702.db2.gz YZWJRAODRRNNHE-CMPLNLGQSA-N 1 0 250.342 2.089 10 0 CEAERO COC(=O)c1ccc([C@H](C)[N@@H+]2CCCC[C@@H]2CCO)o1 ZINC000091780240 180252464 /nfs/dbraw/zinc/25/24/64/180252464.db2.gz OXRAHMIULANWHZ-NWDGAFQWSA-N 1 0 281.352 2.364 10 0 CEAERO Cc1ccc(C)n1NC(=O)C[C@H](C[NH3+])CC(C)C ZINC000091787745 180256233 /nfs/dbraw/zinc/25/62/33/180256233.db2.gz JETZZPKGOBCUCC-CYBMUJFWSA-N 1 0 251.374 2.186 10 0 CEAERO Cc1ccc(C)n1NC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000091795871 180258434 /nfs/dbraw/zinc/25/84/34/180258434.db2.gz BPCDPICGNAYASS-OAHLLOKOSA-N 1 0 269.348 2.062 10 0 CEAERO CCC[C@H](C)NC(=O)Cn1cccc1[C@H](C)[NH2+]C ZINC000091801222 180258826 /nfs/dbraw/zinc/25/88/26/180258826.db2.gz VKRLYMOONQHGIJ-RYUDHWBXSA-N 1 0 251.374 2.073 10 0 CEAERO CCC[C@@H](C)NC(=O)Cn1cccc1[C@H](C)[NH2+]C ZINC000091801220 180259075 /nfs/dbraw/zinc/25/90/75/180259075.db2.gz VKRLYMOONQHGIJ-NEPJUHHUSA-N 1 0 251.374 2.073 10 0 CEAERO CC[NH2+][C@H](C)c1csc([C@H]2CN3CCC[C@@H]3CO2)n1 ZINC000091722521 180239933 /nfs/dbraw/zinc/23/99/33/180239933.db2.gz UDVVJZPKJNNJCZ-NQBHXWOUSA-N 1 0 281.425 2.349 10 0 CEAERO CCC[NH2+][C@H](c1ccoc1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091722291 180240214 /nfs/dbraw/zinc/24/02/14/180240214.db2.gz PZUNBHYOFWHHGN-RBSFLKMASA-N 1 0 264.369 2.184 10 0 CEAERO CCC[NH2+][C@H](C1CCCC1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091722273 180241042 /nfs/dbraw/zinc/24/10/42/180241042.db2.gz LPXCUNSGIGIRSK-OWCLPIDISA-N 1 0 266.429 2.408 10 0 CEAERO CN1CCO[C@H](C[NH2+]Cc2ccc(-c3ccccc3)o2)C1 ZINC000105471753 186058883 /nfs/dbraw/zinc/05/88/83/186058883.db2.gz GWOFDPCSXQCRNZ-MRXNPFEDSA-N 1 0 286.375 2.367 10 0 CEAERO Cc1noc(CC[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)n1 ZINC000105469785 186059825 /nfs/dbraw/zinc/05/98/25/186059825.db2.gz VWFOPPZJWQQODC-JOYOIKCWSA-N 1 0 261.325 2.427 10 0 CEAERO CCCN(C(=O)C[C@H]1CCCO1)C1CCC([NH3+])CC1 ZINC000091852037 180272790 /nfs/dbraw/zinc/27/27/90/180272790.db2.gz FTCIIBFRZBZDFW-JXQTWKCFSA-N 1 0 268.401 2.064 10 0 CEAERO CCCN(c1nccn(C2CC2)c1=O)C1CCC([NH3+])CC1 ZINC000091852675 180272796 /nfs/dbraw/zinc/27/27/96/180272796.db2.gz MQUIKQSAZVSTLJ-UHFFFAOYSA-N 1 0 290.411 2.065 10 0 CEAERO CCCN(C(=O)c1oncc1C)C1CCC([NH3+])CC1 ZINC000091852080 180273237 /nfs/dbraw/zinc/27/32/37/180273237.db2.gz GCLBRLBDFPOLSE-UHFFFAOYSA-N 1 0 265.357 2.105 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)CC[C@H]2CCCCO2)CC1 ZINC000091854472 180274430 /nfs/dbraw/zinc/27/44/30/180274430.db2.gz LACIYYYKPCRNCF-YMAMQOFZSA-N 1 0 282.428 2.325 10 0 CEAERO C[NH2+][C@@H](C)c1ccn(Cc2ncnn2CC(C)C)c1 ZINC000091804288 180259939 /nfs/dbraw/zinc/25/99/39/180259939.db2.gz LESRFAKGEKWSJH-LBPRGKRZSA-N 1 0 261.373 2.064 10 0 CEAERO C[NH2+][C@H](C)c1ccn(Cc2ncnn2CC(C)C)c1 ZINC000091804286 180260213 /nfs/dbraw/zinc/26/02/13/180260213.db2.gz LESRFAKGEKWSJH-GFCCVEGCSA-N 1 0 261.373 2.064 10 0 CEAERO CCC[C@@H]([NH2+]CC)c1ccn(CCCC(=O)NC)c1 ZINC000091822790 180264078 /nfs/dbraw/zinc/26/40/78/180264078.db2.gz RPCHCTUYABZJAL-CQSZACIVSA-N 1 0 265.401 2.465 10 0 CEAERO CCC[NH2+][C@@H](c1ccn(CC(=O)N(C)C)c1)C(C)C ZINC000091828153 180264584 /nfs/dbraw/zinc/26/45/84/180264584.db2.gz CGGAAEAJERQVJY-OAHLLOKOSA-N 1 0 265.401 2.273 10 0 CEAERO CC(C)[C@@H](C)NC(=O)Cn1ccc([C@@H]([NH3+])C(C)C)c1 ZINC000091825863 180264747 /nfs/dbraw/zinc/26/47/47/180264747.db2.gz VVCBPVOCKOZLEB-DOMZBBRYSA-N 1 0 265.401 2.305 10 0 CEAERO CC[NH2+][C@H](c1ccn(CCC(=O)N(C)C)c1)C1CC1 ZINC000091837861 180267773 /nfs/dbraw/zinc/26/77/73/180267773.db2.gz AMZNKTSAIVOAIY-HNNXBMFYSA-N 1 0 263.385 2.027 10 0 CEAERO CC(C)(C)OC(=O)NC1CCC([NH2+]CC2CC(O)C2)CC1 ZINC000091843000 180269477 /nfs/dbraw/zinc/26/94/77/180269477.db2.gz URMVRTZRDXBNMC-UHFFFAOYSA-N 1 0 298.427 2.183 10 0 CEAERO CN(C(=O)c1snnc1C(C)(C)C)C1CCC([NH3+])CC1 ZINC000091845128 180270590 /nfs/dbraw/zinc/27/05/90/180270590.db2.gz GMVXEJLYECKPSU-UHFFFAOYSA-N 1 0 296.440 2.178 10 0 CEAERO CN(c1cc(Cl)ccc1C(N)=O)C1CCC([NH3+])CC1 ZINC000091849572 180271207 /nfs/dbraw/zinc/27/12/07/180271207.db2.gz IYEYUPZLHCAZLI-UHFFFAOYSA-N 1 0 281.787 2.145 10 0 CEAERO CCN(C(=O)[C@@H]1CC=CCC1)C1CCC([NH3+])CC1 ZINC000091850405 180271740 /nfs/dbraw/zinc/27/17/40/180271740.db2.gz VIFXDVVIMGRSTL-IYXRBSQSSA-N 1 0 250.386 2.461 10 0 CEAERO CCN(C1CCC([NH3+])CC1)S(=O)(=O)c1ccccc1C ZINC000091850620 180271960 /nfs/dbraw/zinc/27/19/60/180271960.db2.gz BPEPZMNKYASBNA-UHFFFAOYSA-N 1 0 296.436 2.276 10 0 CEAERO O=C(N1CCC[C@H]1[C@@H]1CCC[NH2+]C1)N1CCCCCC1 ZINC000091971206 180294974 /nfs/dbraw/zinc/29/49/74/180294974.db2.gz HNPGSUYXDXKRCM-CABCVRRESA-N 1 0 279.428 2.446 10 0 CEAERO CC[NH2+]Cc1ncoc1-c1cc(OC)cc(OC)c1 ZINC000091957748 180292072 /nfs/dbraw/zinc/29/20/72/180292072.db2.gz CYFQOGGJPYFGPX-UHFFFAOYSA-N 1 0 262.309 2.468 10 0 CEAERO CCCN(C(=O)N(CC)CC)C1CCC([NH3+])CC1 ZINC000091962218 180292959 /nfs/dbraw/zinc/29/29/59/180292959.db2.gz QWOVGCMSQGXUGT-UHFFFAOYSA-N 1 0 255.406 2.430 10 0 CEAERO CCN(CC)C(=O)N(CC)[C@H]1CCCC[C@H]1C[NH3+] ZINC000091962188 180293170 /nfs/dbraw/zinc/29/31/70/180293170.db2.gz IDKRCXIMBOKQIK-STQMWFEESA-N 1 0 255.406 2.288 10 0 CEAERO CCOc1ccc(NC(=O)N(CC)CC)cc1C[NH3+] ZINC000091962597 180293266 /nfs/dbraw/zinc/29/32/66/180293266.db2.gz YUNKRKZXSWRKKT-UHFFFAOYSA-N 1 0 265.357 2.418 10 0 CEAERO NC(=[NH2+])C1(NC(=O)N2CCCCC2)CCCCCC1 ZINC000091969868 180295010 /nfs/dbraw/zinc/29/50/10/180295010.db2.gz MANUHDYNWPHSLW-UHFFFAOYSA-N 1 0 266.389 2.211 10 0 CEAERO O=C(N1CCC[C@H]1C1CC[NH2+]CC1)N1CCCCC1 ZINC000091969190 180294368 /nfs/dbraw/zinc/29/43/68/180294368.db2.gz OMYDJOUQRSWAGR-AWEZNQCLSA-N 1 0 265.401 2.056 10 0 CEAERO CCCCS(=O)(=O)N(C)C1CCC([NH2+]CCC)CC1 ZINC000091869879 180276874 /nfs/dbraw/zinc/27/68/74/180276874.db2.gz KWNMLQIEQVQGSF-UHFFFAOYSA-N 1 0 290.473 2.359 10 0 CEAERO CCc1ccc(S(=O)(=O)NC2CCC([NH2+]C)CC2)cc1 ZINC000091872552 180277961 /nfs/dbraw/zinc/27/79/61/180277961.db2.gz PAWOKHLRTINDQL-UHFFFAOYSA-N 1 0 296.436 2.058 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)c2scnc2C)CC1 ZINC000091872156 180278027 /nfs/dbraw/zinc/27/80/27/180278027.db2.gz QTMVROKXYKVJBK-UHFFFAOYSA-N 1 0 267.398 2.054 10 0 CEAERO C[C@](O)(c1ccc2c(c1)CCCC2)[C@]1(C[NH3+])CCOC1 ZINC000091907018 180284244 /nfs/dbraw/zinc/28/42/44/180284244.db2.gz UIECQUPEGOZFQR-IRXDYDNUSA-N 1 0 275.392 2.138 10 0 CEAERO [NH3+]CC1([C@H](O)c2ccccc2OC(F)F)CCC1 ZINC000091909050 180284819 /nfs/dbraw/zinc/28/48/19/180284819.db2.gz FPGXOIBJIRWUDK-LLVKDONJSA-N 1 0 257.280 2.450 10 0 CEAERO [NH3+]C[C@@]1([C@H](O)c2ccsc2)COc2ccccc2C1 ZINC000091909758 180284849 /nfs/dbraw/zinc/28/48/49/180284849.db2.gz FBDDDIBJWPLDTP-HUUCEWRRSA-N 1 0 275.373 2.362 10 0 CEAERO Cc1ccc([C@@H](O)[C@]2(C[NH3+])CCc3ccccc32)o1 ZINC000091909168 180284902 /nfs/dbraw/zinc/28/49/02/180284902.db2.gz NYTLNAAUUXPDPF-CVEARBPZSA-N 1 0 257.333 2.464 10 0 CEAERO [NH3+]C[C@@]1([C@@H](O)c2cc(Cl)cc(Cl)c2)CCOC1 ZINC000091913079 180285114 /nfs/dbraw/zinc/28/51/14/180285114.db2.gz ILTOVXCQOYMTRL-RYUDHWBXSA-N 1 0 276.163 2.392 10 0 CEAERO [NH3+]C[C@]1([C@@H](O)C2CCCC2)CCOc2ccccc21 ZINC000091913235 180285148 /nfs/dbraw/zinc/28/51/48/180285148.db2.gz HTIGCKWJGLPFBK-JKSUJKDBSA-N 1 0 261.365 2.217 10 0 CEAERO [NH3+]C[C@]1([C@H](O)[C@H]2CC=CCC2)CCOc2ccccc21 ZINC000091913860 180285176 /nfs/dbraw/zinc/28/51/76/180285176.db2.gz DMIWGBNLNQSXHU-IAOVAPTHSA-N 1 0 273.376 2.383 10 0 CEAERO [NH3+]C[C@@]1([C@@H](O)c2cccs2)COc2ccccc2C1 ZINC000091910100 180285372 /nfs/dbraw/zinc/28/53/72/180285372.db2.gz ZGJPXSNVYGHKHV-LSDHHAIUSA-N 1 0 275.373 2.362 10 0 CEAERO [NH3+]C[C@]1([C@@]2(O)CCCOCC2)CCc2ccccc2C1 ZINC000091922872 180286589 /nfs/dbraw/zinc/28/65/89/180286589.db2.gz DPDMOPDLHLMQLX-DLBZAZTESA-N 1 0 275.392 2.052 10 0 CEAERO CCC1CCC(C[NH3+])([C@@H](O)c2cncn2CC)CC1 ZINC000091926323 180287235 /nfs/dbraw/zinc/28/72/35/180287235.db2.gz AJEXLEFLWYLEDB-BLZCZZARSA-N 1 0 265.401 2.482 10 0 CEAERO C[C@H]1CC[C@H](C[NH3+])CN1C(=O)N1CCCCCC1 ZINC000091971663 180295694 /nfs/dbraw/zinc/29/56/94/180295694.db2.gz VGJDMVVOMUAXJR-QWHCGFSZSA-N 1 0 253.390 2.042 10 0 CEAERO CCN(C)C(=O)N1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000091973093 180296944 /nfs/dbraw/zinc/29/69/44/180296944.db2.gz VDUNYFDOSNPCFE-CQSZACIVSA-N 1 0 267.417 2.302 10 0 CEAERO CC1CCN(C(=O)Nc2nc3c(s2)C[NH2+]CC3)CC1 ZINC000091990533 180300008 /nfs/dbraw/zinc/30/00/08/180300008.db2.gz PYTFHJGHROXNGF-UHFFFAOYSA-N 1 0 280.397 2.053 10 0 CEAERO CC1CCN(C(=O)N[C@H](C(N)=[NH2+])C2CCCCC2)CC1 ZINC000091993347 180300578 /nfs/dbraw/zinc/30/05/78/180300578.db2.gz IHFWCRFGMBVBIH-ZDUSSCGKSA-N 1 0 280.416 2.313 10 0 CEAERO Cc1ccc(OCc2cn3ccccc3n2)c(C[NH3+])n1 ZINC000091994022 180301103 /nfs/dbraw/zinc/30/11/03/180301103.db2.gz YGAKIKJGFKJUDZ-UHFFFAOYSA-N 1 0 268.320 2.075 10 0 CEAERO COc1c(C)cnc(COc2ccc(C)nc2C[NH3+])c1C ZINC000091993727 180301524 /nfs/dbraw/zinc/30/15/24/180301524.db2.gz FTIIZIJZPTVDBH-UHFFFAOYSA-N 1 0 287.363 2.448 10 0 CEAERO Cc1ccc(OCC(=O)N(C)C(C)C)c(C[NH2+]C(C)C)n1 ZINC000091995438 180302056 /nfs/dbraw/zinc/30/20/56/180302056.db2.gz KANHBWJENLPFEI-UHFFFAOYSA-N 1 0 293.411 2.134 10 0 CEAERO CCCCOc1ccc(C)nc1C[NH2+]CCOC ZINC000091996559 180302195 /nfs/dbraw/zinc/30/21/95/180302195.db2.gz QVWKFICDQBLDPV-UHFFFAOYSA-N 1 0 252.358 2.305 10 0 CEAERO CC[C@@H](O)COc1ccc(C)nc1C[NH2+]C(C)(C)C ZINC000091996130 180302244 /nfs/dbraw/zinc/30/22/44/180302244.db2.gz CKOXBYIMFCDYDN-GFCCVEGCSA-N 1 0 266.385 2.428 10 0 CEAERO CCCCOCCOc1ccc(C)nc1C[C@@H](C)[NH3+] ZINC000092000258 180303549 /nfs/dbraw/zinc/30/35/49/180303549.db2.gz NGHXUZDBZNAYRW-GFCCVEGCSA-N 1 0 266.385 2.475 10 0 CEAERO Cc1ccc(OCCOC(F)(F)F)c(C[C@H](C)[NH3+])n1 ZINC000091999999 180303792 /nfs/dbraw/zinc/30/37/92/180303792.db2.gz JCXUQCWJFAEQKR-QMMMGPOBSA-N 1 0 278.274 2.195 10 0 CEAERO COc1ccccc1OCC[NH2+]CCc1ccncc1 ZINC000105683177 186067804 /nfs/dbraw/zinc/06/78/04/186067804.db2.gz ADSGYPQHPZNTSE-UHFFFAOYSA-N 1 0 272.348 2.301 10 0 CEAERO Cc1nc(Cl)c(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)nc1C ZINC000092023763 180308400 /nfs/dbraw/zinc/30/84/00/180308400.db2.gz APUPVXQSLRYQIR-NEPJUHHUSA-N 1 0 280.803 2.420 10 0 CEAERO COC(C)(C)c1noc(-c2csc([C@@H](C)[NH3+])n2)n1 ZINC000092138067 180333494 /nfs/dbraw/zinc/33/34/94/180333494.db2.gz RJSXTBYUWXVDHH-ZCFIWIBFSA-N 1 0 268.342 2.094 10 0 CEAERO CCC[NH2+]Cc1c(C)nc(C(C)(C)OC)nc1C ZINC000092141018 180333519 /nfs/dbraw/zinc/33/35/19/180333519.db2.gz NZOOPKRAYYLIFV-UHFFFAOYSA-N 1 0 251.374 2.475 10 0 CEAERO CCC[NH2+][C@@H](Cc1cc(CC)nn1C)C(C)(C)OC ZINC000092140295 180333750 /nfs/dbraw/zinc/33/37/50/180333750.db2.gz ZGSGRVVXQZFNOA-AWEZNQCLSA-N 1 0 267.417 2.318 10 0 CEAERO CC(C)n1c2ccc(C[NH3+])cc2nc1CC[C@@H](C)O ZINC000092150872 180334821 /nfs/dbraw/zinc/33/48/21/180334821.db2.gz HLGBGLRMPATJGB-LLVKDONJSA-N 1 0 261.369 2.389 10 0 CEAERO C[C@H]1C[N@H+](CCC(=O)Nc2ccc(F)c(N)c2)C[C@H]1C ZINC000092080559 180318647 /nfs/dbraw/zinc/31/86/47/180318647.db2.gz BAMGWINVPBFNOH-PHIMTYICSA-N 1 0 279.359 2.324 10 0 CEAERO CC(C)[C@@H]1C[C@](CN)([N@@H+]2C[C@H](C)[C@H](C)C2)CCO1 ZINC000092082989 180319279 /nfs/dbraw/zinc/31/92/79/180319279.db2.gz RPHCTYOGPFZRQU-LJISPDSOSA-N 1 0 254.418 2.107 10 0 CEAERO Cc1ccc(N)cc1NC(=O)C[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000092081447 180319353 /nfs/dbraw/zinc/31/93/53/180319353.db2.gz QDQJHPJBLKTELR-TXEJJXNPSA-N 1 0 261.369 2.104 10 0 CEAERO CCC[C@@H]1C[C@@](CN)([N@@H+]2C[C@H](C)[C@H](C)C2)CCO1 ZINC000092082980 180319363 /nfs/dbraw/zinc/31/93/63/180319363.db2.gz AWVZMONCWYACRL-BARDWOONSA-N 1 0 254.418 2.251 10 0 CEAERO Cc1c(N)cccc1NC(=O)C[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000092081632 180319409 /nfs/dbraw/zinc/31/94/09/180319409.db2.gz OHZVYIIPYDRIRG-PHIMTYICSA-N 1 0 261.369 2.104 10 0 CEAERO CCOC(=O)[C@](C)(N)CCCC[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000092087865 180321069 /nfs/dbraw/zinc/32/10/69/180321069.db2.gz CBLSXBCCZMANQH-VNHYZAJKSA-N 1 0 270.417 2.025 10 0 CEAERO CCOc1ccc(OCC)c(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)c1 ZINC000092201265 180342720 /nfs/dbraw/zinc/34/27/20/180342720.db2.gz OPHDJNPVYDOAPE-NEPJUHHUSA-N 1 0 290.363 2.326 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000092202145 180342748 /nfs/dbraw/zinc/34/27/48/180342748.db2.gz SJHLXAZWMODZGW-UMVBOHGHSA-N 1 0 256.349 2.084 10 0 CEAERO Cc1nc(-c2ccc(NC(=O)[C@@H]3C=C[C@@H]([NH3+])C3)cc2)co1 ZINC000092203086 180343246 /nfs/dbraw/zinc/34/32/46/180343246.db2.gz VZOZBZVKABWAOX-CHWSQXEVSA-N 1 0 283.331 2.492 10 0 CEAERO CCc1ccc([C@H](C)NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)cc1 ZINC000092202712 180343440 /nfs/dbraw/zinc/34/34/40/180343440.db2.gz CWQYXYYOINOUSD-TUKIKUTGSA-N 1 0 258.365 2.330 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)N[C@@H](c2ccccc2)C2CC2)C1 ZINC000092203429 180343442 /nfs/dbraw/zinc/34/34/42/180343442.db2.gz DNONNYCNGWQBKR-KFWWJZLASA-N 1 0 256.349 2.157 10 0 CEAERO CCOc1cc(F)ccc1NC(=O)[C@H]1C=C[C@H]([NH3+])C1 ZINC000092203759 180343528 /nfs/dbraw/zinc/34/35/28/180343528.db2.gz HPRYBBKSULVYFJ-ONGXEEELSA-N 1 0 264.300 2.066 10 0 CEAERO CCOc1ccc(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)c(C)c1 ZINC000092204270 180343955 /nfs/dbraw/zinc/34/39/55/180343955.db2.gz WHFKKQKHKNQHRE-NEPJUHHUSA-N 1 0 260.337 2.236 10 0 CEAERO CC[C@@H]1c2ccsc2CCN1C(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092205059 180344078 /nfs/dbraw/zinc/34/40/78/180344078.db2.gz XKHRCGLUGFXYKY-DMDPSCGWSA-N 1 0 276.405 2.487 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)NCC23CC4CC(CC(C4)C2)C3)C1 ZINC000092206641 180344225 /nfs/dbraw/zinc/34/42/25/180344225.db2.gz UEAKNBOPSXHDOQ-MGZIPMFSSA-N 1 0 274.408 2.222 10 0 CEAERO CCN(C(=O)[C@H]1Cc2ccccc2S1)C1CC[NH2+]CC1 ZINC000092231781 180347919 /nfs/dbraw/zinc/34/79/19/180347919.db2.gz WDEKWQHFKOMYTR-OAHLLOKOSA-N 1 0 290.432 2.304 10 0 CEAERO CCN(C(=O)c1ccc(SC)cc1)[C@@H]1CC[NH2+]C1 ZINC000092232081 180348748 /nfs/dbraw/zinc/34/87/48/180348748.db2.gz SILHTTOHNQHMCD-GFCCVEGCSA-N 1 0 264.394 2.233 10 0 CEAERO CSc1ccccc1C(=O)N1C[C@H]2C[NH2+]C[C@@H]2C1(C)C ZINC000092232588 180349238 /nfs/dbraw/zinc/34/92/38/180349238.db2.gz HNSNLNLADYIBAN-YPMHNXCESA-N 1 0 290.432 2.479 10 0 CEAERO NC(=O)C1CCC([NH2+]C[C@H]2Cc3ccccc3S2)CC1 ZINC000092242918 180351402 /nfs/dbraw/zinc/35/14/02/180351402.db2.gz WVXQMEJFZFGZFM-UXUKBGGZSA-N 1 0 290.432 2.337 10 0 CEAERO [NH3+]CCc1nnc([C@@H]2CSc3ccccc32)s1 ZINC000092240625 180351541 /nfs/dbraw/zinc/35/15/41/180351541.db2.gz DCDKYYSGIRWEKQ-SECBINFHSA-N 1 0 263.391 2.277 10 0 CEAERO CC1(C)CN(C[C@@H]2COc3ccccc32)CCC[NH2+]1 ZINC000092307391 180360408 /nfs/dbraw/zinc/36/04/08/180360408.db2.gz JJJNXIFHHNSOLG-CYBMUJFWSA-N 1 0 260.381 2.237 10 0 CEAERO C[C@H](CCO)C[NH2+]C[C@H]1Cc2ccccc2S1 ZINC000092260383 180354425 /nfs/dbraw/zinc/35/44/25/180354425.db2.gz QQOJPLWKOUFCEJ-DGCLKSJQSA-N 1 0 251.395 2.312 10 0 CEAERO CC[NH2+]CCN(C)C[C@H]1Cc2ccccc2S1 ZINC000092262999 180354849 /nfs/dbraw/zinc/35/48/49/180354849.db2.gz ZGQGBFFYFTYYJI-CYBMUJFWSA-N 1 0 250.411 2.245 10 0 CEAERO CC[C@@H]1C[NH2+]CCN1CCSc1ccccc1 ZINC000092263340 180354865 /nfs/dbraw/zinc/35/48/65/180354865.db2.gz HOEFVLHBHYWJCB-CYBMUJFWSA-N 1 0 250.411 2.463 10 0 CEAERO O=C1CC2(CN1CCSc1ccccc1)CC[NH2+]CC2 ZINC000092270359 180355520 /nfs/dbraw/zinc/35/55/20/180355520.db2.gz NULFGVWVSHJPKH-UHFFFAOYSA-N 1 0 290.432 2.381 10 0 CEAERO Cc1noc(C[NH2+]C[C@@H]2CSc3ccccc32)n1 ZINC000092274970 180356616 /nfs/dbraw/zinc/35/66/16/180356616.db2.gz VSQGMSRMOMPXSC-SNVBAGLBSA-N 1 0 261.350 2.357 10 0 CEAERO C[NH2+]Cc1nccn1C[C@@H]1CSc2ccccc21 ZINC000092291080 180357778 /nfs/dbraw/zinc/35/77/78/180357778.db2.gz IYJFADNIWLQULZ-LLVKDONJSA-N 1 0 259.378 2.492 10 0 CEAERO C[NH2+]Cc1ccnn1C[C@H]1CSc2ccccc21 ZINC000092295432 180358361 /nfs/dbraw/zinc/35/83/61/180358361.db2.gz CBDMGOPEQKMYCR-NSHDSACASA-N 1 0 259.378 2.492 10 0 CEAERO NC(=S)[C@H]1CCCC[N@@H+]1C[C@@H]1COc2ccccc21 ZINC000092301816 180359371 /nfs/dbraw/zinc/35/93/71/180359371.db2.gz KMNOGFOCKBOYMW-DGCLKSJQSA-N 1 0 276.405 2.303 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)OCc2ccccc2Cl)C1 ZINC000092177201 180337026 /nfs/dbraw/zinc/33/70/26/180337026.db2.gz ZPDIDIXFOLBDNH-MWLCHTKSSA-N 1 0 251.713 2.287 10 0 CEAERO COc1ccc(-c2noc([C@H]3C=C[C@H]([NH3+])C3)n2)cc1 ZINC000092181391 180338384 /nfs/dbraw/zinc/33/83/84/180338384.db2.gz GZQCEACWYJNICQ-QWRGUYRKSA-N 1 0 257.293 2.116 10 0 CEAERO Cc1cccc(Cc2noc([C@H]3C=C[C@@H]([NH3+])C3)n2)c1 ZINC000092181617 180338825 /nfs/dbraw/zinc/33/88/25/180338825.db2.gz DARWXHFREULPHN-QWHCGFSZSA-N 1 0 255.321 2.340 10 0 CEAERO CCOCC[N@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000105918190 186088560 /nfs/dbraw/zinc/08/85/60/186088560.db2.gz YDGNSPLGINVQTE-CQSZACIVSA-N 1 0 298.452 2.090 10 0 CEAERO CCc1nc(Cc2ccncc2)nc(CC)c1CC[NH2+]C ZINC000092318506 180361764 /nfs/dbraw/zinc/36/17/64/180361764.db2.gz AGXGQBLTFMAJCU-UHFFFAOYSA-N 1 0 284.407 2.349 10 0 CEAERO Cc1nn(-c2ncccn2)c(C)c1CCC[NH2+]C(C)C ZINC000092321534 180362253 /nfs/dbraw/zinc/36/22/53/180362253.db2.gz RWNMADDQQYKECG-UHFFFAOYSA-N 1 0 273.384 2.210 10 0 CEAERO Cc1nn(C)c(C)c1C[NH2+]Cc1c[nH]c2ncccc12 ZINC000092324502 180362369 /nfs/dbraw/zinc/36/23/69/180362369.db2.gz GEJWYYQRFWEURG-UHFFFAOYSA-N 1 0 269.352 2.203 10 0 CEAERO CCn1cnnc1C1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000105929613 186092630 /nfs/dbraw/zinc/09/26/30/186092630.db2.gz ASIVYJLYDAXJON-CQSZACIVSA-N 1 0 278.400 2.047 10 0 CEAERO COC(C)(C)C[C@@H](C)[NH2+]Cc1c(C)nn(C)c1C ZINC000092325607 180363335 /nfs/dbraw/zinc/36/33/35/180363335.db2.gz CXOARHGZVLADST-SNVBAGLBSA-N 1 0 253.390 2.330 10 0 CEAERO CC[C@@H](CC[NH3+])CCC(=O)NCc1c(C)noc1C ZINC000092330499 180363819 /nfs/dbraw/zinc/36/38/19/180363819.db2.gz GNCSHXDLLLWRTM-GFCCVEGCSA-N 1 0 267.373 2.063 10 0 CEAERO [NH3+]Cc1ccc(C(=O)Nc2ccc(Cl)nc2)cc1 ZINC000106044767 186099157 /nfs/dbraw/zinc/09/91/57/186099157.db2.gz ZLDDGONJEIJYEQ-UHFFFAOYSA-N 1 0 261.712 2.446 10 0 CEAERO CCN1C(=O)C[C@@H]([NH2+]Cc2ccc(C(C)C)cc2)C1=O ZINC000106050849 186100772 /nfs/dbraw/zinc/10/07/72/186100772.db2.gz FPQRFCSBHSRJOG-CQSZACIVSA-N 1 0 274.364 2.047 10 0 CEAERO Cc1noc(C)c1[C@@H](C)NCCC[NH+]1CCCC1 ZINC000092332097 180364661 /nfs/dbraw/zinc/36/46/61/180364661.db2.gz YPORFCYFVIENNY-LLVKDONJSA-N 1 0 251.374 2.428 10 0 CEAERO Cc1noc(C)c1CN1CC[C@H](C[NH2+]C(C)C)C1 ZINC000092339885 180364979 /nfs/dbraw/zinc/36/49/79/180364979.db2.gz OFECDOITCKPLJE-CYBMUJFWSA-N 1 0 251.374 2.111 10 0 CEAERO COCC[N@@H+]1CCN(Cc2ccc(C)cc2)C[C@H]1C ZINC000106109485 186102777 /nfs/dbraw/zinc/10/27/77/186102777.db2.gz BXLYEQGHGLZQJD-OAHLLOKOSA-N 1 0 262.397 2.148 10 0 CEAERO CC[C@H]1CN([C@@H](C)c2c(C)noc2C)CCC[NH2+]1 ZINC000092342344 180365657 /nfs/dbraw/zinc/36/56/57/180365657.db2.gz SGYVVMSBLNEVMA-AAEUAGOBSA-N 1 0 251.374 2.426 10 0 CEAERO CC[C@@]1(C)CN([C@@H](C)c2c(C)noc2C)CC[NH2+]1 ZINC000092342277 180365833 /nfs/dbraw/zinc/36/58/33/180365833.db2.gz DRUIZTXHEDNWNJ-FZMZJTMJSA-N 1 0 251.374 2.426 10 0 CEAERO Cc1noc(C)c1[C@H](C)N1CC(C)(C)[NH2+]C[C@@H]1C ZINC000092342438 180365848 /nfs/dbraw/zinc/36/58/48/180365848.db2.gz YQACVMNXBIZRGN-ONGXEEELSA-N 1 0 251.374 2.425 10 0 CEAERO CCC[C@@H]1CN(Cc2c(C)noc2C)CCC[NH2+]1 ZINC000092342800 180366340 /nfs/dbraw/zinc/36/63/40/180366340.db2.gz TVHSEIWYMXKYIS-CYBMUJFWSA-N 1 0 251.374 2.255 10 0 CEAERO Cc1cc(Cn2ccnc2C[NH3+])c2ccccc2n1 ZINC000092349539 180367054 /nfs/dbraw/zinc/36/70/54/180367054.db2.gz PBFLEWLPMAYXJD-UHFFFAOYSA-N 1 0 252.321 2.247 10 0 CEAERO Cc1cc(CN2CCC[NH2+][C@H](C)C2=O)c2ccccc2n1 ZINC000092364629 180368481 /nfs/dbraw/zinc/36/84/81/180368481.db2.gz WKYQHCUAGRYCFY-CYBMUJFWSA-N 1 0 283.375 2.254 10 0 CEAERO COc1ccc2c(c1)[C@@]([NH3+])(CCCS(C)(=O)=O)CCC2 ZINC000092367223 180370526 /nfs/dbraw/zinc/37/05/26/180370526.db2.gz XKPZUVXWYCGFAE-HNNXBMFYSA-N 1 0 297.420 2.010 10 0 CEAERO CC1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000106425360 186116340 /nfs/dbraw/zinc/11/63/40/186116340.db2.gz AAICNTOGTCDBGO-INIZCTEOSA-N 1 0 274.408 2.418 10 0 CEAERO O[C@@H](C[NH+]1CCC(Cn2cccn2)CC1)c1ccccc1 ZINC000105886669 186084550 /nfs/dbraw/zinc/08/45/50/186084550.db2.gz HLOSITRQQUXATH-KRWDZBQOSA-N 1 0 285.391 2.329 10 0 CEAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@@H](SCCCO)CC2 ZINC000092390236 180375116 /nfs/dbraw/zinc/37/51/16/180375116.db2.gz JUOZYVPQOSFFQJ-UONOGXRCSA-N 1 0 267.394 2.125 10 0 CEAERO CC(C)[C@H](CO)[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000092391959 180375261 /nfs/dbraw/zinc/37/52/61/180375261.db2.gz FSJRCBKODTYSNA-PWSUYJOCSA-N 1 0 251.326 2.083 10 0 CEAERO CC(C)[C@H](CO)[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000092392399 180376190 /nfs/dbraw/zinc/37/61/90/180376190.db2.gz MJTDEJIECJVLDA-NSHDSACASA-N 1 0 265.382 2.245 10 0 CEAERO C[C@@H](NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)c1cccnc1 ZINC000106901660 186148492 /nfs/dbraw/zinc/14/84/92/186148492.db2.gz BPSWGRWLRRUBHE-RHSMWYFYSA-N 1 0 297.402 2.432 10 0 CEAERO CC(C)[C@H]1CO[C@H](c2nc3ccccc3n2C)C[NH2+]1 ZINC000092403206 180378082 /nfs/dbraw/zinc/37/80/82/180378082.db2.gz KOLQWLZWDRWZBX-OCCSQVGLSA-N 1 0 259.353 2.259 10 0 CEAERO COc1ccc([C@H]2C[NH2+][C@H](C(C)C)CO2)c(OC)c1 ZINC000092403147 180378361 /nfs/dbraw/zinc/37/83/61/180378361.db2.gz PNUWTSCFOMESGT-DZGCQCFKSA-N 1 0 265.353 2.389 10 0 CEAERO CCCNc1cc[nH+]c(CN(C)[C@H](C)COC)c1 ZINC000092418393 180381454 /nfs/dbraw/zinc/38/14/54/180381454.db2.gz FJSYCBHSGIHNTD-GFCCVEGCSA-N 1 0 251.374 2.370 10 0 CEAERO CCNc1cc[nH+]c(CN(C)[C@H]2CCSC2)c1 ZINC000092418125 180381502 /nfs/dbraw/zinc/38/15/02/180381502.db2.gz YVBUSMSIECYIML-ZDUSSCGKSA-N 1 0 251.399 2.451 10 0 CEAERO CNc1cc[nH+]c(COc2ccc3c(c2)OCO3)c1 ZINC000092420391 180381941 /nfs/dbraw/zinc/38/19/41/180381941.db2.gz KUEHHQYNGNJJDO-UHFFFAOYSA-N 1 0 258.277 2.431 10 0 CEAERO Nc1cc[nH+]c(Cn2ccc(=O)c3ccccc32)c1 ZINC000092419749 180382686 /nfs/dbraw/zinc/38/26/86/180382686.db2.gz SUMVGBLLWHWNPK-UHFFFAOYSA-N 1 0 251.289 2.027 10 0 CEAERO CCn1c(C)[nH+]c(-c2ccc(OC)cc2OC)c1N ZINC000106831014 186137478 /nfs/dbraw/zinc/13/74/78/186137478.db2.gz IWGNCWZSKIFQTB-UHFFFAOYSA-N 1 0 261.325 2.478 10 0 CEAERO CCn1c(C)[nH+]c(-c2ccc3c(c2)OCCO3)c1N ZINC000106831076 186137491 /nfs/dbraw/zinc/13/74/91/186137491.db2.gz TTZWGPTUIASOCL-UHFFFAOYSA-N 1 0 259.309 2.232 10 0 CEAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@H](OCCOC(C)C)CC2 ZINC000092386485 180373705 /nfs/dbraw/zinc/37/37/05/180373705.db2.gz DAQSLHUCQYFEGE-HZPDHXFCSA-N 1 0 279.380 2.451 10 0 CEAERO CC[N@H+](C1CC1)[C@@H]1CCc2ccc(OC)cc2[C@@H]1N ZINC000092385344 180373977 /nfs/dbraw/zinc/37/39/77/180373977.db2.gz QHEJWPVBQVNOPY-CVEARBPZSA-N 1 0 260.381 2.494 10 0 CEAERO FC(F)(F)CNCC[NH2+][C@@H]1C[C@@H]1c1ccccc1 ZINC000092435261 180385166 /nfs/dbraw/zinc/38/51/66/180385166.db2.gz YRMOLQTWGLRFHY-VXGBXAGGSA-N 1 0 258.287 2.284 10 0 CEAERO CC[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1=O)C1CCCCC1 ZINC000107290501 186166727 /nfs/dbraw/zinc/16/67/27/186166727.db2.gz MGUQDKBUWAZNHZ-UONOGXRCSA-N 1 0 278.396 2.225 10 0 CEAERO COc1cccc(-c2cn3c(n2)[C@@H](C)C[C@H]([NH3+])C3)c1 ZINC000107827672 186194127 /nfs/dbraw/zinc/19/41/27/186194127.db2.gz QAPNXILXFLRADG-JQWIXIFHSA-N 1 0 257.337 2.393 10 0 CEAERO COc1ccc(OC)c(-c2cn3c(n2)[C@@H](C)C[C@H]([NH3+])C3)c1 ZINC000107827772 186194146 /nfs/dbraw/zinc/19/41/46/186194146.db2.gz BSZZPJMMIAFKIA-QWRGUYRKSA-N 1 0 287.363 2.402 10 0 CEAERO CCOC(=O)[C@@H]1CCCC[N@@H+]1CC1(O)CCCCC1 ZINC000109121518 186244223 /nfs/dbraw/zinc/24/42/23/186244223.db2.gz ITPJOFXLFZVJAQ-ZDUSSCGKSA-N 1 0 269.385 2.099 10 0 CEAERO CC(C)(c1noc([C@@H]2C[C@H]3CC[C@@H]2C3)n1)N1CC[NH2+]CC1 ZINC000109475481 186255380 /nfs/dbraw/zinc/25/53/80/186255380.db2.gz JWUKXYOMODFOQK-YNEHKIRRSA-N 1 0 290.411 2.114 10 0 CEAERO C[C@@H](c1nc(-c2cccnc2)cs1)N1CC[NH2+]CC1 ZINC000109472063 186255419 /nfs/dbraw/zinc/25/54/19/186255419.db2.gz CZIFQCZWDLULGC-NSHDSACASA-N 1 0 274.393 2.171 10 0 CEAERO C[NH2+][C@@H]1CCCCC[C@H]1c1nc(C[C@@H]2CCCO2)no1 ZINC000109495592 186256786 /nfs/dbraw/zinc/25/67/86/186256786.db2.gz XUIXYHUEVWSCGC-YNEHKIRRSA-N 1 0 279.384 2.427 10 0 CEAERO C[NH2+][C@H](C)[C@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000109503214 186257596 /nfs/dbraw/zinc/25/75/96/186257596.db2.gz PBBNDIDWSNPFHA-VHSXEESVSA-N 1 0 261.325 2.457 10 0 CEAERO C[NH2+][C@@H](C)[C@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000109503219 186257626 /nfs/dbraw/zinc/25/76/26/186257626.db2.gz PBBNDIDWSNPFHA-UWVGGRQHSA-N 1 0 261.325 2.457 10 0 CEAERO Cc1csc(Cc2noc(C[C@H]([NH3+])C(C)(C)C)n2)n1 ZINC000109510930 186258027 /nfs/dbraw/zinc/25/80/27/186258027.db2.gz SLMXMYXAAXLHKA-VIFPVBQESA-N 1 0 280.397 2.341 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1c1nc(COc2ccccc2)no1 ZINC000109509262 186258400 /nfs/dbraw/zinc/25/84/00/186258400.db2.gz YOZLPHTVCRXGOZ-NEPJUHHUSA-N 1 0 259.309 2.243 10 0 CEAERO C[NH2+][C@H](C)[C@@H](C)c1nc(Cc2ccccc2OC)no1 ZINC000109513438 186258424 /nfs/dbraw/zinc/25/84/24/186258424.db2.gz OEIVLUDANZRCDX-GHMZBOCLSA-N 1 0 275.352 2.380 10 0 CEAERO C[NH2+][C@H](C)[C@H](C)c1nc(COc2ccccc2)no1 ZINC000109509504 186258430 /nfs/dbraw/zinc/25/84/30/186258430.db2.gz PTMTWMFEAIPSOW-WDEREUQCSA-N 1 0 261.325 2.360 10 0 CEAERO C[NH2+]C1CCC(c2nc(Cc3cccnc3)no2)CC1 ZINC000109510806 186258530 /nfs/dbraw/zinc/25/85/30/186258530.db2.gz HIDAJAZEJXVVDW-UHFFFAOYSA-N 1 0 272.352 2.301 10 0 CEAERO CCCOCc1noc(C[C@H]([NH2+]CC)C(C)C)n1 ZINC000109519775 186258844 /nfs/dbraw/zinc/25/88/44/186258844.db2.gz ULTZNXOWLYSRJW-NSHDSACASA-N 1 0 255.362 2.173 10 0 CEAERO CC[NH2+][C@H](Cc1nc(-c2ncccc2C)no1)C1CC1 ZINC000109519317 186258880 /nfs/dbraw/zinc/25/88/80/186258880.db2.gz UTQAOVNUAQZHID-GFCCVEGCSA-N 1 0 272.352 2.371 10 0 CEAERO [NH3+]Cc1ccc(CNC(=O)c2cc(F)ccc2F)c(F)c1 ZINC000109540271 186260597 /nfs/dbraw/zinc/26/05/97/186260597.db2.gz HPDCPNKCCLFURV-UHFFFAOYSA-N 1 0 294.276 2.493 10 0 CEAERO CC(C)=CCN1CCC([NH2+][C@H]2CCCOC2)CC1 ZINC000109545517 186261613 /nfs/dbraw/zinc/26/16/13/186261613.db2.gz ZQNMMEZHZWADPC-HNNXBMFYSA-N 1 0 252.402 2.186 10 0 CEAERO O=C(C[NH2+][C@@H]1CCCOC1)Nc1cccc(Cl)c1 ZINC000109546831 186261816 /nfs/dbraw/zinc/26/18/16/186261816.db2.gz LXCBIGRKFPXLOE-GFCCVEGCSA-N 1 0 268.744 2.047 10 0 CEAERO CC[NH2+]C[C@@H]1CCN(Cc2ccc(OC)cc2OC)C1 ZINC000109554405 186263162 /nfs/dbraw/zinc/26/31/62/186263162.db2.gz KMAFXQKPWDTEHE-ZDUSSCGKSA-N 1 0 278.396 2.135 10 0 CEAERO CC[NH2+][C@H]1C(=O)Nc2cc(OCC(F)(F)F)ccc21 ZINC000109573549 186263573 /nfs/dbraw/zinc/26/35/73/186263573.db2.gz GIIIAIDHXCUGFC-SNVBAGLBSA-N 1 0 274.242 2.230 10 0 CEAERO CCC[NH2+][C@H]1c2ccc(OCCCOC)cc2NC1=O ZINC000109575965 186263616 /nfs/dbraw/zinc/26/36/16/186263616.db2.gz JPCMEXWZEVAVSA-AWEZNQCLSA-N 1 0 278.352 2.095 10 0 CEAERO C[NH2+][C@@H]1C(=O)Nc2cc(Oc3ccc(CO)cc3)ccc21 ZINC000109576377 186263896 /nfs/dbraw/zinc/26/38/96/186263896.db2.gz LNRAROSDFVNTBL-HNNXBMFYSA-N 1 0 284.315 2.184 10 0 CEAERO CCC[NH2+][C@H]1C(=O)Nc2cc(-n3cc(C)cn3)ccc21 ZINC000109572917 186264486 /nfs/dbraw/zinc/26/44/86/186264486.db2.gz ZCCHLISRTRTTPS-CQSZACIVSA-N 1 0 270.336 2.174 10 0 CEAERO C[NH2+]Cc1cc(N(C)CCOC)c2ccccc2n1 ZINC000109589250 186264683 /nfs/dbraw/zinc/26/46/83/186264683.db2.gz CZOYOTWYFGIYCU-UHFFFAOYSA-N 1 0 259.353 2.037 10 0 CEAERO Cc1nnc(Sc2cc(Cl)ccc2C[NH3+])n1C ZINC000109686475 186269049 /nfs/dbraw/zinc/26/90/49/186269049.db2.gz ZOXSJOSPIJJPAI-UHFFFAOYSA-N 1 0 268.773 2.387 10 0 CEAERO CN(C[C@@H]1CC[N@H+](C)C1)c1ccc(N)c2cccnc21 ZINC000109357905 186249366 /nfs/dbraw/zinc/24/93/66/186249366.db2.gz RMRMGKKAXJEZAO-GFCCVEGCSA-N 1 0 270.380 2.205 10 0 CEAERO CCC[C@@H]([NH2+]CCc1nncn1C)c1ccccc1 ZINC000109420711 186251288 /nfs/dbraw/zinc/25/12/88/186251288.db2.gz GWOUISXQQTUXNU-CQSZACIVSA-N 1 0 258.369 2.489 10 0 CEAERO Cc1cccc(CC[C@H](C)[NH2+]CCc2nncn2C)c1 ZINC000109422818 186251936 /nfs/dbraw/zinc/25/19/36/186251936.db2.gz YPGYJYFUBLOQFC-AWEZNQCLSA-N 1 0 272.396 2.277 10 0 CEAERO CC[C@H](c1nc(C)cc(C(C)(C)C)n1)N1CC[NH2+]CC1 ZINC000109475961 186254654 /nfs/dbraw/zinc/25/46/54/186254654.db2.gz PCYYVQMTYUQIAR-CYBMUJFWSA-N 1 0 276.428 2.439 10 0 CEAERO Cc1ccc(-c2nc([C@@H](C)N3CC[NH2+]CC3)no2)c(C)c1 ZINC000109473986 186254700 /nfs/dbraw/zinc/25/47/00/186254700.db2.gz OHXSFFFKWXMMJC-CYBMUJFWSA-N 1 0 286.379 2.320 10 0 CEAERO CCC[C@@H](c1ncc(CC)s1)N1CC[NH2+]CC1 ZINC000109472826 186254929 /nfs/dbraw/zinc/25/49/29/186254929.db2.gz VAFAFEUQNKSJCL-LBPRGKRZSA-N 1 0 253.415 2.452 10 0 CEAERO C[C@@H](c1nccc(-c2ccccc2)n1)N1CC[NH2+]CC1 ZINC000109475748 186254947 /nfs/dbraw/zinc/25/49/47/186254947.db2.gz LUBLMYWBKDWNQU-ZDUSSCGKSA-N 1 0 268.364 2.110 10 0 CEAERO COCC[N@H+](CCC(=O)OC)C1CCCCCC1 ZINC000110433808 186295291 /nfs/dbraw/zinc/29/52/91/186295291.db2.gz JDXPBZIZEWUNEC-UHFFFAOYSA-N 1 0 257.374 2.221 10 0 CEAERO COCC[N@H+](CCCc1ccccc1)CCC(N)=S ZINC000110443179 186296496 /nfs/dbraw/zinc/29/64/96/186296496.db2.gz HFZNDUWFOZQWNU-UHFFFAOYSA-N 1 0 280.437 2.244 10 0 CEAERO CCC[NH2+][C@H](CC)[C@@H](C)c1nc(CCOC)no1 ZINC000110470534 186298037 /nfs/dbraw/zinc/29/80/37/186298037.db2.gz MNDCQAQZPQYEIT-GHMZBOCLSA-N 1 0 255.362 2.140 10 0 CEAERO CC[C@H]([NH2+]C)[C@H](C)c1nc(Cc2cccnc2)no1 ZINC000110470281 186298476 /nfs/dbraw/zinc/29/84/76/186298476.db2.gz IIVHOFZIDNLMEV-JQWIXIFHSA-N 1 0 260.341 2.157 10 0 CEAERO C[NH2+][C@@H](c1ccc2c(c1)OCCO2)c1cccc(C)n1 ZINC000110481175 186298691 /nfs/dbraw/zinc/29/86/91/186298691.db2.gz UMKQYHVIUJLAGV-INIZCTEOSA-N 1 0 270.332 2.470 10 0 CEAERO CC[C@H]([NH3+])[C@@H](O[C@@H]1CCOC1)c1ccc(OC)cc1 ZINC000110525808 186301338 /nfs/dbraw/zinc/30/13/38/186301338.db2.gz SXONPPFREXHFFP-ILXRZTDVSA-N 1 0 265.353 2.279 10 0 CEAERO CC[NH2+]C[C@H](O[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000110529638 186301538 /nfs/dbraw/zinc/30/15/38/186301538.db2.gz ODKJQGSQWHDLOS-KGLIPLIRSA-N 1 0 253.317 2.282 10 0 CEAERO COc1ccccc1N(C)C(=O)Cc1ccc(C[NH3+])cc1 ZINC000110613767 186305376 /nfs/dbraw/zinc/30/53/76/186305376.db2.gz NQGVRJQALQZZGN-UHFFFAOYSA-N 1 0 284.359 2.359 10 0 CEAERO C[C@@H](CNc1cc(OC(F)F)c(F)cc1N)[NH+](C)C ZINC000110640498 186307148 /nfs/dbraw/zinc/30/71/48/186307148.db2.gz RZPOTVHDQPVZQK-ZETCQYMHSA-N 1 0 277.290 2.371 10 0 CEAERO COC[C@H](C)Cn1c(N)[nH+]c2cc(F)c(OC)cc21 ZINC000110630033 186307921 /nfs/dbraw/zinc/30/79/21/186307921.db2.gz LKFOXGPQVZTWSY-MRVPVSSYSA-N 1 0 267.304 2.049 10 0 CEAERO COc1cc2c(cc1F)[nH+]c(N)n2CCc1cccnc1 ZINC000110629672 186308106 /nfs/dbraw/zinc/30/81/06/186308106.db2.gz GJNOZSSTNUGBMW-UHFFFAOYSA-N 1 0 286.310 2.404 10 0 CEAERO C[C@H]1CCCN(S(=O)(=O)Cc2ccccc2C[NH3+])CC1 ZINC000110809003 186326290 /nfs/dbraw/zinc/32/62/90/186326290.db2.gz VLVPIAOMTOCDNJ-ZDUSSCGKSA-N 1 0 296.436 2.097 10 0 CEAERO CC[NH2+][C@@H]1CCC2(C[C@H]1N(C)CC1CCCC1)OCCO2 ZINC000110836485 186328002 /nfs/dbraw/zinc/32/80/02/186328002.db2.gz VVEBINKBJYHCRJ-HZPDHXFCSA-N 1 0 296.455 2.382 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1cnccn1)c1cccnc1 ZINC000110913175 186332573 /nfs/dbraw/zinc/33/25/73/186332573.db2.gz LSBYDOIMJAGCMD-DGCLKSJQSA-N 1 0 260.366 2.442 10 0 CEAERO CN(c1ccc(C(F)(F)F)cn1)[C@@H]1CCC[NH2+]C1 ZINC000110932331 186333321 /nfs/dbraw/zinc/33/33/21/186333321.db2.gz ACAJWRVYWRIAME-SNVBAGLBSA-N 1 0 259.275 2.289 10 0 CEAERO CCCN(C(=O)c1ccc(C)nc1C)[C@@H]1CCC[NH2+]C1 ZINC000110940816 186334584 /nfs/dbraw/zinc/33/45/84/186334584.db2.gz SBQCCLWLDVBQCY-CQSZACIVSA-N 1 0 275.396 2.303 10 0 CEAERO CCC[N@H+](C1CCC2(CC1)OCCO2)[C@H]1CCCNC1 ZINC000110938255 186334695 /nfs/dbraw/zinc/33/46/95/186334695.db2.gz SEBVMBPDIPBCKH-HNNXBMFYSA-N 1 0 282.428 2.136 10 0 CEAERO CCN([C@@H](C)C(=O)Nc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000110943159 186335180 /nfs/dbraw/zinc/33/51/80/186335180.db2.gz ILSOKFCWLIOHOJ-DZGCQCFKSA-N 1 0 275.396 2.088 10 0 CEAERO CCN(CC(=O)Nc1ccccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000110943678 186335845 /nfs/dbraw/zinc/33/58/45/186335845.db2.gz YACPGXZJBQUDMV-GFCCVEGCSA-N 1 0 295.814 2.352 10 0 CEAERO Cc1csc(-n2c3ccccc3nc2CC[NH3+])n1 ZINC000110949086 186336025 /nfs/dbraw/zinc/33/60/25/186336025.db2.gz UOGWCRIDJHDRLC-UHFFFAOYSA-N 1 0 258.350 2.292 10 0 CEAERO COC[C@H](C)[NH2+]CCOc1ccccc1SC ZINC000110985753 186339248 /nfs/dbraw/zinc/33/92/48/186339248.db2.gz NHWBXXCDLXOLTF-NSHDSACASA-N 1 0 255.383 2.412 10 0 CEAERO COc1ccc([C@@H](C[NH3+])Oc2ccccc2CO)cc1 ZINC000110992842 186340233 /nfs/dbraw/zinc/34/02/33/186340233.db2.gz XAELAQLNYBMLMS-MRXNPFEDSA-N 1 0 273.332 2.266 10 0 CEAERO C[C@@H]([NH3+])[C@@H](Oc1ccccc1CO)c1ccccn1 ZINC000110993195 186340925 /nfs/dbraw/zinc/34/09/25/186340925.db2.gz FMTMYSHYIASJLD-IAQYHMDHSA-N 1 0 258.321 2.041 10 0 CEAERO COc1ccc([C@@H](O)[C@H](C)[N@@H+]2CCN(C)C(C)(C)C2)cc1 ZINC000110736512 186319171 /nfs/dbraw/zinc/31/91/71/186319171.db2.gz UYCYOCGRGPJVDP-BBRMVZONSA-N 1 0 292.423 2.143 10 0 CEAERO CCOC(=O)c1cc(C)sc1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000110777164 186322325 /nfs/dbraw/zinc/32/23/25/186322325.db2.gz WFACEDOGNNSWDR-JTQLQIEISA-N 1 0 296.392 2.123 10 0 CEAERO O=C(NCC[C@@H]1CCC[NH2+]C1)c1c[nH]c2ccccc12 ZINC000110791671 186324797 /nfs/dbraw/zinc/32/47/97/186324797.db2.gz JIBTZPILQBPIPF-LBPRGKRZSA-N 1 0 271.364 2.287 10 0 CEAERO Cc1cc2c(ncnc2NC[C@@H]2CCC[NH2+]C2)s1 ZINC000110779255 186324810 /nfs/dbraw/zinc/32/48/10/186324810.db2.gz CFOTXKGQMXUNOF-SNVBAGLBSA-N 1 0 262.382 2.411 10 0 CEAERO O=C1CC[C@@H]([NH2+][C@H]2CC[C@@H]3CCCC[C@@H]3C2)CN1 ZINC000111017443 186344158 /nfs/dbraw/zinc/34/41/58/186344158.db2.gz LFXXPOPSMAAMGU-RFQIPJPRSA-N 1 0 250.386 2.214 10 0 CEAERO Cc1cc2c(n1[C@H]1CCC(=O)NC1)CC(C)(C)C[C@H]2[NH3+] ZINC000111024632 186345522 /nfs/dbraw/zinc/34/55/22/186345522.db2.gz HGPODZODSIXQHN-WCQYABFASA-N 1 0 275.396 2.220 10 0 CEAERO NC(=S)c1cc(F)ccc1OCC[NH+]1CCCCC1 ZINC000111034014 186346759 /nfs/dbraw/zinc/34/67/59/186346759.db2.gz DVNMBVAENUUNQA-UHFFFAOYSA-N 1 0 282.384 2.325 10 0 CEAERO CC[N@@H+]1CC[C@@H](CNc2ccc(F)cc2C(N)=S)C1 ZINC000111030446 186346951 /nfs/dbraw/zinc/34/69/51/186346951.db2.gz LTHVRHRZOZWEGE-JTQLQIEISA-N 1 0 281.400 2.214 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccccn1)N(C)C[C@@H]1CCCOC1 ZINC000111154181 186360550 /nfs/dbraw/zinc/36/05/50/186360550.db2.gz BWFAMOVHZPDHSH-SQWLQELKSA-N 1 0 277.412 2.218 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1ccsc1)N(C)C[C@@H]1CCCOC1 ZINC000111154969 186360646 /nfs/dbraw/zinc/36/06/46/186360646.db2.gz RLLVKXUCDXPRHV-DYEKYZERSA-N 1 0 268.426 2.495 10 0 CEAERO C[C@H](N)[C@@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111154403 186361198 /nfs/dbraw/zinc/36/11/98/186361198.db2.gz UKZNCLFGKQCVRV-DZKIICNBSA-N 1 0 262.397 2.433 10 0 CEAERO Cc1ccc([C@@H](N)C[N@@H+](C)C[C@@H]2CCCOC2)cc1 ZINC000111160407 186361548 /nfs/dbraw/zinc/36/15/48/186361548.db2.gz ROBFKATWGDWTSY-HOCLYGCPSA-N 1 0 262.397 2.353 10 0 CEAERO COc1ccc([C@H]([C@@H](C)N)[N@H+](C)CC2CCOCC2)cc1 ZINC000111156244 186362663 /nfs/dbraw/zinc/36/26/63/186362663.db2.gz MBRFBOXSRHTNRD-DYVFJYSZSA-N 1 0 292.423 2.442 10 0 CEAERO COc1ccc(N)cc1C[N@H+](C)CC1CCOCC1 ZINC000111155961 186362969 /nfs/dbraw/zinc/36/29/69/186362969.db2.gz JCBGOZPNPJXFPL-UHFFFAOYSA-N 1 0 264.369 2.136 10 0 CEAERO C[NH2+][C@H]1c2ccccc2OC[C@H]1N(C)C[C@@H]1CCCOC1 ZINC000111160993 186363319 /nfs/dbraw/zinc/36/33/19/186363319.db2.gz FVKUFFILRBAWSG-LXZKKBNFSA-N 1 0 290.407 2.067 10 0 CEAERO CCCOCCO[C@H](c1ccccn1)[C@H]([NH3+])CC ZINC000111105607 186352931 /nfs/dbraw/zinc/35/29/31/186352931.db2.gz VBIDQILICGWRFW-OCCSQVGLSA-N 1 0 252.358 2.303 10 0 CEAERO CCCOCCOC[C@@H]1CC[C@@H](C[NH2+]CC(C)C)O1 ZINC000111111341 186353493 /nfs/dbraw/zinc/35/34/93/186353493.db2.gz QNCDSMRAULMPNO-GJZGRUSLSA-N 1 0 273.417 2.223 10 0 CEAERO CCC[NH2+]Cc1cccc(OCCOCCC)n1 ZINC000111110892 186354012 /nfs/dbraw/zinc/35/40/12/186354012.db2.gz JAFDAIUJGSWYQS-UHFFFAOYSA-N 1 0 252.358 2.387 10 0 CEAERO CCOCCN(CC)[C@H](C[NH3+])c1cccc(OC)c1OC ZINC000111117814 186354568 /nfs/dbraw/zinc/35/45/68/186354568.db2.gz YFOGLMHLUPYMBG-CQSZACIVSA-N 1 0 296.411 2.062 10 0 CEAERO CCC[C@@]1(C(=O)N(CC)CCOCC)CCC[NH2+]C1 ZINC000111124918 186355652 /nfs/dbraw/zinc/35/56/52/186355652.db2.gz OMZQVAFPGVHDFT-OAHLLOKOSA-N 1 0 270.417 2.041 10 0 CEAERO Cc1ccc(C(=O)[C@@H](C)N(C)CCC[NH+](C)C)cc1 ZINC000111139896 186356971 /nfs/dbraw/zinc/35/69/71/186356971.db2.gz UDALDEILEYNSBO-CQSZACIVSA-N 1 0 262.397 2.450 10 0 CEAERO CC(=O)c1c(F)cccc1N(C)CCC[NH+](C)C ZINC000111138326 186357005 /nfs/dbraw/zinc/35/70/05/186357005.db2.gz OGDJPNDWKPFEBO-UHFFFAOYSA-N 1 0 252.333 2.416 10 0 CEAERO CN(CC[NH+](C)C)CC(=O)c1ccc(Br)cc1 ZINC000111139553 186357009 /nfs/dbraw/zinc/35/70/09/186357009.db2.gz VWXMYKXILZYLTF-UHFFFAOYSA-N 1 0 299.212 2.125 10 0 CEAERO CN(CCC[NH+](C)C)CC[C@@H](O)c1ccc(F)cc1 ZINC000111148685 186358270 /nfs/dbraw/zinc/35/82/70/186358270.db2.gz GSGGOICGAPIKIZ-OAHLLOKOSA-N 1 0 268.376 2.133 10 0 CEAERO CN(CCC(=O)c1ccc(Cl)cc1)CC[NH+](C)C ZINC000111146420 186358952 /nfs/dbraw/zinc/35/89/52/186358952.db2.gz BLMJOQIMTAOYJF-UHFFFAOYSA-N 1 0 268.788 2.406 10 0 CEAERO COc1ccccc1[C@H](C[NH3+])N(C)C[C@@H]1CCCOC1 ZINC000111154292 186360300 /nfs/dbraw/zinc/36/03/00/186360300.db2.gz GBXBQFVXIYHKOP-ZFWWWQNUSA-N 1 0 278.396 2.053 10 0 CEAERO Cc1ccc([C@@H](CN)[N@H+](C)C[C@@H]2CCCOC2)s1 ZINC000111154423 186360313 /nfs/dbraw/zinc/36/03/13/186360313.db2.gz HQUHGFHPNAHALY-QWHCGFSZSA-N 1 0 268.426 2.415 10 0 CEAERO C[N@@H+](Cc1cccc(C(N)=S)c1)C[C@@H]1CCCOC1 ZINC000111163062 186364122 /nfs/dbraw/zinc/36/41/22/186364122.db2.gz CUTVTJYQWZJCTF-ZDUSSCGKSA-N 1 0 278.421 2.179 10 0 CEAERO C[N@H+](CC1CCOCC1)C[C@](C)(CO)c1ccccc1 ZINC000111173401 186365336 /nfs/dbraw/zinc/36/53/36/186365336.db2.gz IJSHQKXLCCYFGL-QGZVFWFLSA-N 1 0 277.408 2.295 10 0 CEAERO CC(C)CC[NH2+]C[C@@H](C)N(C)CC1CCOCC1 ZINC000111176643 186365717 /nfs/dbraw/zinc/36/57/17/186365717.db2.gz GZFDGHSDMJTNAE-CQSZACIVSA-N 1 0 256.434 2.369 10 0 CEAERO C[C@H]1CCC(=O)[C@H](C[N@H+](C)CC2CCOCC2)C1 ZINC000111171284 186365894 /nfs/dbraw/zinc/36/58/94/186365894.db2.gz UCJOPVKJOUCPAQ-JSGCOSHPSA-N 1 0 253.386 2.350 10 0 CEAERO CC(C)N(CCC[NH3+])C(=O)[C@@H]1CCOc2ccccc21 ZINC000111184173 186366603 /nfs/dbraw/zinc/36/66/03/186366603.db2.gz ZEZGTTSHVZSUBM-CQSZACIVSA-N 1 0 276.380 2.139 10 0 CEAERO c1cc(-c2nnc(CNC3CC3)o2)cc2c1COC2 ZINC000111307043 186395037 /nfs/dbraw/zinc/39/50/37/186395037.db2.gz UKFFTMDMTSKEEU-UHFFFAOYSA-N 1 0 257.293 2.019 10 0 CEAERO C[C@@H]1CC[C@@H](C[NH3+])[C@H](Sc2nnc(N(C)C)s2)C1 ZINC000111316286 186396441 /nfs/dbraw/zinc/39/64/41/186396441.db2.gz MHJCCFCSQCNICT-KXUCPTDWSA-N 1 0 286.470 2.460 10 0 CEAERO C[C@H]1CCCC[C@@H]1[N@H+](C)[C@@H](CN)[C@@H]1CCCOC1 ZINC000111321006 186396809 /nfs/dbraw/zinc/39/68/09/186396809.db2.gz IBGSANRUDNXLGR-XGUBFFRZSA-N 1 0 254.418 2.251 10 0 CEAERO CN(Cc1cccc(F)c1)[C@@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111320641 186397455 /nfs/dbraw/zinc/39/74/55/186397455.db2.gz ZCHURRFBNYQWQM-HIFRSBDPSA-N 1 0 266.360 2.011 10 0 CEAERO CC[NH2+]C[C@@]1(CN2CCc3ccccc32)CCCOC1 ZINC000111323484 186397773 /nfs/dbraw/zinc/39/77/73/186397773.db2.gz ZKUGJOCONMOIMG-QGZVFWFLSA-N 1 0 274.408 2.455 10 0 CEAERO CC[NH2+]C[C@]1(CN(CC)CC(F)(F)F)CCCOC1 ZINC000111326203 186398132 /nfs/dbraw/zinc/39/81/32/186398132.db2.gz MTPAVRKTCXDZGT-LBPRGKRZSA-N 1 0 282.350 2.277 10 0 CEAERO C[NH2+]C[C@@]1(CN(C)Cc2cccc(F)c2)CCCOC1 ZINC000111324519 186398735 /nfs/dbraw/zinc/39/87/35/186398735.db2.gz YDDFTRLIAGYMBZ-MRXNPFEDSA-N 1 0 280.387 2.274 10 0 CEAERO CC(C)[NH2+]C[C@]1(CN(C)Cc2ccccn2)CCCOC1 ZINC000111325515 186399075 /nfs/dbraw/zinc/39/90/75/186399075.db2.gz QJHWIEOROVDREW-KRWDZBQOSA-N 1 0 291.439 2.308 10 0 CEAERO CC[C@@H](c1nc(Cc2nc3ccccc3[nH]2)no1)[C@@H](C)[NH3+] ZINC000111237889 186372770 /nfs/dbraw/zinc/37/27/70/186372770.db2.gz SDUOGRLNFZREHK-NXEZZACHSA-N 1 0 285.351 2.378 10 0 CEAERO CN(CC1CCOCC1)[C@@H](C[NH3+])c1ccsc1 ZINC000111239106 186374504 /nfs/dbraw/zinc/37/45/04/186374504.db2.gz ARYJOADBJYDMEL-ZDUSSCGKSA-N 1 0 254.399 2.106 10 0 CEAERO Cc1cccc([C@@H](CN)[N@H+](C)C[C@@H]2CCCOC2)c1 ZINC000111239098 186374768 /nfs/dbraw/zinc/37/47/68/186374768.db2.gz WBKVHYZWZCDELG-GOEBONIOSA-N 1 0 262.397 2.353 10 0 CEAERO CCCC[C@H](C)NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111246860 186375601 /nfs/dbraw/zinc/37/56/01/186375601.db2.gz QCEBDDVKWWBGIX-ONGXEEELSA-N 1 0 266.307 2.223 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1c1nc(CCc2ccccc2)no1 ZINC000111256521 186379184 /nfs/dbraw/zinc/37/91/84/186379184.db2.gz QBMYQJKTIGYAEX-DGCLKSJQSA-N 1 0 257.337 2.178 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1c1nc(Cc2ccc(F)cc2)no1 ZINC000111256333 186379255 /nfs/dbraw/zinc/37/92/55/186379255.db2.gz TYZVGDQGKJSIDR-JOYOIKCWSA-N 1 0 261.300 2.122 10 0 CEAERO CC[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@@H]1C)c1ccccc1OC ZINC000111265600 186381568 /nfs/dbraw/zinc/38/15/68/186381568.db2.gz BFCAHKMBQMCLKZ-IACUBPJLSA-N 1 0 276.380 2.118 10 0 CEAERO CCN(Cc1ccccc1C)C(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000111264153 186381897 /nfs/dbraw/zinc/38/18/97/186381897.db2.gz ZYMPCEWZZVAOFX-HIFRSBDPSA-N 1 0 260.381 2.199 10 0 CEAERO Cc1ccc(Cl)cc1NC(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000111263630 186382201 /nfs/dbraw/zinc/38/22/01/186382201.db2.gz CBVHKGBRDZTAMQ-GXSJLCMTSA-N 1 0 252.745 2.442 10 0 CEAERO Cc1ccc(C)c([C@@H](C)NC(=O)[C@H]2C[NH2+]C[C@@H]2C)c1 ZINC000111266980 186382432 /nfs/dbraw/zinc/38/24/32/186382432.db2.gz HCGVFEZXTFVTIH-GUTXKFCHSA-N 1 0 260.381 2.336 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc(-c2cnco2)c1 ZINC000111267642 186382693 /nfs/dbraw/zinc/38/26/93/186382693.db2.gz GAGYTWVUNVXMKH-GXFFZTMASA-N 1 0 271.320 2.136 10 0 CEAERO C[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)c1ccc(Cl)cc1 ZINC000111271456 186384169 /nfs/dbraw/zinc/38/41/69/186384169.db2.gz QELJWUXZDINJKT-GBIKHYSHSA-N 1 0 266.772 2.373 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC2(CCCCC2)CC1 ZINC000111272634 186384625 /nfs/dbraw/zinc/38/46/25/186384625.db2.gz ZRPVDRYEWXOARD-KBPBESRZSA-N 1 0 264.413 2.415 10 0 CEAERO CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1C)c1cccc(F)c1 ZINC000111272101 186385507 /nfs/dbraw/zinc/38/55/07/186385507.db2.gz NCYVRJIFBYCLIE-GWCFXTLKSA-N 1 0 250.317 2.034 10 0 CEAERO [NH3+]Cc1ccc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)nc1 ZINC000111281609 186387703 /nfs/dbraw/zinc/38/77/03/186387703.db2.gz ZNJJLWNIOFXEJL-UONOGXRCSA-N 1 0 273.380 2.193 10 0 CEAERO [NH3+]Cc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)nc1 ZINC000111281177 186388069 /nfs/dbraw/zinc/38/80/69/186388069.db2.gz UIRHTVCSGIUHSD-UHFFFAOYSA-N 1 0 285.391 2.239 10 0 CEAERO CCOc1ccc(NC(=O)c2ccc(C[NH3+])cn2)cc1 ZINC000111281193 186388072 /nfs/dbraw/zinc/38/80/72/186388072.db2.gz OXYZBMIAGVQQHS-UHFFFAOYSA-N 1 0 271.320 2.191 10 0 CEAERO CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C[NH3+])cn1 ZINC000111281787 186388229 /nfs/dbraw/zinc/38/82/29/186388229.db2.gz XTNANQFGULMGQK-OLZOCXBDSA-N 1 0 261.369 2.239 10 0 CEAERO [NH3+]Cc1ccc(C(=O)N2CCC3(CCCC3)CC2)nc1 ZINC000111282498 186389518 /nfs/dbraw/zinc/38/95/18/186389518.db2.gz FRUIMIMMHJUXCH-UHFFFAOYSA-N 1 0 273.380 2.337 10 0 CEAERO [NH3+]Cc1ccc(C(=O)Nc2cc(F)c(F)cc2F)nc1 ZINC000111282374 186390227 /nfs/dbraw/zinc/39/02/27/186390227.db2.gz WCQJQYJRLKKHCY-UHFFFAOYSA-N 1 0 281.237 2.210 10 0 CEAERO CC[NH+](CC)CCOc1nc(C)nc(Cl)c1C ZINC000111294083 186391194 /nfs/dbraw/zinc/39/11/94/186391194.db2.gz FVSBKMCSVCMYHQ-UHFFFAOYSA-N 1 0 257.765 2.467 10 0 CEAERO Cc1nc(Cl)c(C)c(NC2CC[NH+](C)CC2)n1 ZINC000111296113 186392381 /nfs/dbraw/zinc/39/23/81/186392381.db2.gz OHVOQNJZMIHRTB-UHFFFAOYSA-N 1 0 254.765 2.253 10 0 CEAERO CN(CC[C@@H]1CCCC[NH2+]1)C(=O)c1ccc2c(c1)COC2 ZINC000111305558 186393814 /nfs/dbraw/zinc/39/38/14/186393814.db2.gz NRFPSFPXTUIYAS-INIZCTEOSA-N 1 0 288.391 2.321 10 0 CEAERO Cc1nn(C)c(N2CCC[C@H]2C2CCCC2)c1CC[NH3+] ZINC000111483961 186422733 /nfs/dbraw/zinc/42/27/33/186422733.db2.gz MHGGNALQRBJBLT-HNNXBMFYSA-N 1 0 276.428 2.389 10 0 CEAERO [NH3+]CCc1ccc(N2CCO[C@H]3CCCC[C@@H]32)c(F)c1 ZINC000111485811 186423098 /nfs/dbraw/zinc/42/30/98/186423098.db2.gz MKGUMSQFINWAAA-HOTGVXAUSA-N 1 0 278.371 2.475 10 0 CEAERO COc1cccc(N(C)c2c(CC[NH3+])c(C)nn2C)c1 ZINC000111483868 186423126 /nfs/dbraw/zinc/42/31/26/186423126.db2.gz LVBOZODQUIPPJW-UHFFFAOYSA-N 1 0 274.368 2.006 10 0 CEAERO C[C@H]([NH3+])Cc1c(N(C)[C@@H]2CCSC2)nc2sccn12 ZINC000111492327 186424187 /nfs/dbraw/zinc/42/41/87/186424187.db2.gz CNLZPSUDQDPSBZ-VHSXEESVSA-N 1 0 296.465 2.227 10 0 CEAERO C[C@H]([NH3+])Cc1c(Sc2cnccn2)nc2ccccn21 ZINC000111587389 186429447 /nfs/dbraw/zinc/42/94/47/186429447.db2.gz WRQVKBIKNFGKBL-JTQLQIEISA-N 1 0 285.376 2.165 10 0 CEAERO COCCCSCCOc1ccc(CC[NH3+])cc1 ZINC000111659573 186438490 /nfs/dbraw/zinc/43/84/90/186438490.db2.gz YXXWMWGSZOLZDH-UHFFFAOYSA-N 1 0 269.410 2.336 10 0 CEAERO CCC(CC)[C@@H](C)NC(=O)c1cnn(CCC[NH3+])c1C ZINC000111663159 186438900 /nfs/dbraw/zinc/43/89/00/186438900.db2.gz GKCOFWJSEKGRET-LLVKDONJSA-N 1 0 280.416 2.095 10 0 CEAERO CCC(CC)[C@H](C)[NH2+][C@H]1CC(=O)N([C@@H](C)CC)C1=O ZINC000111667000 186439782 /nfs/dbraw/zinc/43/97/82/186439782.db2.gz VRWISDWODREVTI-GVXVVHGQSA-N 1 0 268.401 2.327 10 0 CEAERO c1nc(CN2CCC[C@@H](C[NH2+]C3CC3)C2)cs1 ZINC000111699490 186446916 /nfs/dbraw/zinc/44/69/16/186446916.db2.gz JGEZWLDMDXITIY-NSHDSACASA-N 1 0 251.399 2.107 10 0 CEAERO O=C(CN1CCCC[C@@H]1C[NH2+]C1CC1)Nc1ccccc1 ZINC000111703569 186448073 /nfs/dbraw/zinc/44/80/73/186448073.db2.gz ONQSBLMKYFELDO-MRXNPFEDSA-N 1 0 287.407 2.232 10 0 CEAERO CC(C)[NH2+]C1CCN(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000111794634 186457949 /nfs/dbraw/zinc/45/79/49/186457949.db2.gz KBRJMRGMWJAPFS-LBPRGKRZSA-N 1 0 255.406 2.203 10 0 CEAERO Cc1cnc(C)c(N[C@H]2c3ccccc3C[C@@H]2[NH3+])n1 ZINC000111377415 186409860 /nfs/dbraw/zinc/40/98/60/186409860.db2.gz ZQXIMDUEQBUSKA-KBPBESRZSA-N 1 0 254.337 2.130 10 0 CEAERO Cc1nc(CN2C[C@H]3CCCC[N@H+]3C[C@@H]2C)[nH]c1C ZINC000628180236 350993662 /nfs/dbraw/zinc/99/36/62/350993662.db2.gz HHADIHGZJMYIJZ-SMDDNHRTSA-N 1 0 262.401 2.085 10 0 CEAERO CN1CC[C@@H]([NH3+])[C@@H]1c1ccc(Br)s1 ZINC000069799120 363001583 /nfs/dbraw/zinc/00/15/83/363001583.db2.gz JHVOODYTMGTXRV-HZGVNTEJSA-N 1 0 261.188 2.215 10 0 CEAERO CCC(CC)[C@@H](C)NS(=O)(=O)c1ccc(CC[NH3+])cc1 ZINC000113643038 186590338 /nfs/dbraw/zinc/59/03/38/186590338.db2.gz SGIVEVMYBLJWGD-GFCCVEGCSA-N 1 0 298.452 2.291 10 0 CEAERO COCCN1CC[C@H]([NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000070300397 363067963 /nfs/dbraw/zinc/06/79/63/363067963.db2.gz SRFNNMNKCZZXJY-STQMWFEESA-N 1 0 272.751 2.200 10 0 CEAERO O[C@@H](COCc1ccccc1)C[N@@H+]1CCCSCC1 ZINC000070380071 363077212 /nfs/dbraw/zinc/07/72/12/363077212.db2.gz FUYMKDDMCAZHCS-OAHLLOKOSA-N 1 0 281.421 2.003 10 0 CEAERO C[C@@H]1CC[C@H](Nc2ncccc2Br)C[NH2+]1 ZINC000630091400 351615248 /nfs/dbraw/zinc/61/52/48/351615248.db2.gz GSDKJBDPPLPKLZ-BDAKNGLRSA-N 1 0 270.174 2.397 10 0 CEAERO C[C@@H]1CN(C(=O)c2cscc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC000630093706 351616512 /nfs/dbraw/zinc/61/65/12/351616512.db2.gz PDRGWMRXABKVSE-SFYZADRCSA-N 1 0 292.326 2.434 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@H](O)C(C)C)c1C ZINC000131328321 366043042 /nfs/dbraw/zinc/04/30/42/366043042.db2.gz CAVNPSBXODLWHO-GWCFXTLKSA-N 1 0 253.390 2.187 10 0 CEAERO CCc1cc(N2CC[NH2+]CC2)nc(-c2ccc(C)cc2)n1 ZINC000070451609 363084042 /nfs/dbraw/zinc/08/40/42/363084042.db2.gz CRTXQGJRFJDVOQ-UHFFFAOYSA-N 1 0 282.391 2.424 10 0 CEAERO CO[C@H]1CN(Cc2cc(C)ccc2C)[C@](C)(C[NH3+])C1 ZINC000630358531 351711096 /nfs/dbraw/zinc/71/10/96/351711096.db2.gz BMYGDTDQNBNWER-CVEARBPZSA-N 1 0 262.397 2.242 10 0 CEAERO CO[C@@H]1CN(C(=O)CCCc2cccs2)[C@@](C)(C[NH3+])C1 ZINC000630356716 351711170 /nfs/dbraw/zinc/71/11/70/351711170.db2.gz AFUXMQPBDSNDSL-SWLSCSKDSA-N 1 0 296.436 2.036 10 0 CEAERO CCc1sc(C(=O)N2C[C@@H](OC)C[C@@]2(C)C[NH3+])cc1C ZINC000630357530 351711237 /nfs/dbraw/zinc/71/12/37/351711237.db2.gz DVVXWMFTKMMEQX-NHYWBVRUSA-N 1 0 296.436 2.197 10 0 CEAERO CO[C@H]1CN(CCCCC2CCOCC2)[C@](C)(C[NH3+])C1 ZINC000630363368 351711817 /nfs/dbraw/zinc/71/18/17/351711817.db2.gz BEKMOOPMZFDBIH-CVEARBPZSA-N 1 0 284.444 2.021 10 0 CEAERO CO[C@H]1CN(Cc2ccc(SC)cc2)[C@](C)(C[NH3+])C1 ZINC000630361124 351712412 /nfs/dbraw/zinc/71/24/12/351712412.db2.gz LUJIYQPEPFHJNW-HIFRSBDPSA-N 1 0 280.437 2.347 10 0 CEAERO CO[C@@H]1CN(CCSc2ccc(F)cc2)[C@](C)(C[NH3+])C1 ZINC000630364021 351713250 /nfs/dbraw/zinc/71/32/50/351713250.db2.gz CHVSIZRPLUZFIO-ZFWWWQNUSA-N 1 0 298.427 2.356 10 0 CEAERO CC[C@H](CC(F)F)CN1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630366354 351714720 /nfs/dbraw/zinc/71/47/20/351714720.db2.gz KDYQCZLXKWLDSW-NTZNESFSSA-N 1 0 264.360 2.106 10 0 CEAERO CCOc1ccc(-c2cc(N3CC[C@@H]([NH3+])C3)n[nH]2)cc1 ZINC000070460190 363088126 /nfs/dbraw/zinc/08/81/26/363088126.db2.gz AMXKXDUMKOLQTO-GFCCVEGCSA-N 1 0 272.352 2.013 10 0 CEAERO C[C@H]1CN(c2ccnc(C(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000630553915 351783533 /nfs/dbraw/zinc/78/35/33/351783533.db2.gz MOCUQDRZEGZTGK-IUCAKERBSA-N 1 0 259.275 2.131 10 0 CEAERO COC(=O)C1=C(O)CC[N@@H+](C2CCCCCCC2)C1 ZINC000070460773 363088678 /nfs/dbraw/zinc/08/86/78/363088678.db2.gz LOWBNXNLNIRTMP-CYBMUJFWSA-N 1 0 267.369 2.163 10 0 CEAERO CCc1cc2c(ncnc2N2C[C@H](C)[C@H](C[NH3+])C2)s1 ZINC000630570000 351788237 /nfs/dbraw/zinc/78/82/37/351788237.db2.gz LOKWHHGXHWPYOF-VHSXEESVSA-N 1 0 276.409 2.285 10 0 CEAERO Cc1nc(N2C[C@@H](C)[C@@H](C[NH3+])C2)ccc1Br ZINC000630572224 351788931 /nfs/dbraw/zinc/78/89/31/351788931.db2.gz QBJYLLFYBUQNJG-SCZZXKLOSA-N 1 0 284.201 2.184 10 0 CEAERO [NH3+]C[C@H]1CN(c2ccc(F)cn2)CC[C@H]1C(F)(F)F ZINC000630527069 351773209 /nfs/dbraw/zinc/77/32/09/351773209.db2.gz GVOMVAOHAAMVQI-WCBMZHEXSA-N 1 0 277.265 2.184 10 0 CEAERO CCC[C@H](C(=O)N(C)CCc1cccs1)[NH+](C)C ZINC000122583341 187039720 /nfs/dbraw/zinc/03/97/20/187039720.db2.gz KLGMIUBOHKTNSG-CYBMUJFWSA-N 1 0 268.426 2.479 10 0 CEAERO COc1ccc(C)cc1[C@@H](C)NC(=O)C(C)(C)C[NH3+] ZINC000122946729 187061686 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ZINC000250591767 539966651 /nfs/dbraw/zinc/96/66/51/539966651.db2.gz LGFUTJJJPFGHNA-BTTYYORXSA-N 1 0 252.402 2.079 10 0 CEAERO [NH3+][C@H](CCC(=O)NC[C@H]1CCCC[C@H]1O)c1ccccc1 ZINC000250796725 539968711 /nfs/dbraw/zinc/96/87/11/539968711.db2.gz BIXRALDNYXSIER-BZUAXINKSA-N 1 0 290.407 2.134 10 0 CEAERO C[C@H](CNC(=O)[C@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000251127618 539971940 /nfs/dbraw/zinc/97/19/40/539971940.db2.gz SQQVWEFQFNAKHU-SNPRPXQTSA-N 1 0 260.381 2.281 10 0 CEAERO CCC[C@H](C(=O)N1CCC[C@H](n2cc(C)cn2)C1)[NH+](C)C ZINC000155640370 188218633 /nfs/dbraw/zinc/21/86/33/188218633.db2.gz DIGPHQMBGXTFOC-LSDHHAIUSA-N 1 0 292.427 2.085 10 0 CEAERO C[NH+](C)C[C@@H]1CN(CCSc2ccccc2F)CCO1 ZINC000155340318 188200389 /nfs/dbraw/zinc/20/03/89/188200389.db2.gz MISZYFINELZFFM-CYBMUJFWSA-N 1 0 298.427 2.180 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc3[nH]cnc3c2)C1 ZINC000155362825 188200678 /nfs/dbraw/zinc/20/06/78/188200678.db2.gz ZGKDKCDLEAPZRL-ABAIWWIYSA-N 1 0 286.379 2.021 10 0 CEAERO CCC[C@@H](C(=O)Nc1cc(C(=O)OC)ccc1F)[NH+](C)C ZINC000156856659 188284950 /nfs/dbraw/zinc/28/49/50/188284950.db2.gz LYMWKTVLAPNBNH-ZDUSSCGKSA-N 1 0 296.342 2.281 10 0 CEAERO [NH3+]C[C@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2C1)C1CCCCC1 ZINC000252691167 540007233 /nfs/dbraw/zinc/00/72/33/540007233.db2.gz XEFYWHRMHRDBTG-CRWXNKLISA-N 1 0 250.386 2.056 10 0 CEAERO FC(F)(F)c1cccc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)n1 ZINC000261625751 282923842 /nfs/dbraw/zinc/92/38/42/282923842.db2.gz VDRVIMMEJGVWQO-NXEZZACHSA-N 1 0 271.286 2.289 10 0 CEAERO CCOCCC1(CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)CCC1 ZINC000162900076 188594293 /nfs/dbraw/zinc/59/42/93/188594293.db2.gz ZZELSBPVXXHWET-KBPBESRZSA-N 1 0 282.428 2.217 10 0 CEAERO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1ccc(N(C)C)cc1 ZINC000156709143 540022609 /nfs/dbraw/zinc/02/26/09/540022609.db2.gz NFAXUEQTRADIBK-HNNXBMFYSA-N 1 0 277.412 2.198 10 0 CEAERO CC(C)OCC[NH2+][C@@H]1CCN(CCc2ccccc2)C1 ZINC000168885536 188653768 /nfs/dbraw/zinc/65/37/68/188653768.db2.gz GVWDLFCKNAVBRR-QGZVFWFLSA-N 1 0 276.424 2.318 10 0 CEAERO CCCC(CCC)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000401876951 540100553 /nfs/dbraw/zinc/10/05/53/540100553.db2.gz ODAVSTHYVJIVJN-SECBINFHSA-N 1 0 254.296 2.209 10 0 CEAERO COc1cc(Br)cc2cc(C[NH3+])c(=O)[nH]c21 ZINC000675070162 540111875 /nfs/dbraw/zinc/11/18/75/540111875.db2.gz QOOHTKSPZVTEHW-UHFFFAOYSA-N 1 0 283.125 2.170 10 0 CEAERO [NH3+]Cc1cc2c(F)c(Br)cc(F)c2[nH]c1=O ZINC000675070185 540111929 /nfs/dbraw/zinc/11/19/29/540111929.db2.gz QYHDWUBISZUHAP-UHFFFAOYSA-N 1 0 289.079 2.440 10 0 CEAERO Cc1ncsc1C1=C[C@@H]([NH3+])CN(C(=O)OC(C)(C)C)C1 ZINC000675079101 540119515 /nfs/dbraw/zinc/11/95/15/540119515.db2.gz WHQDSLDXCDJZDM-LLVKDONJSA-N 1 0 295.408 2.413 10 0 CEAERO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)Oc1ccccc1 ZINC000569957916 299229389 /nfs/dbraw/zinc/22/93/89/299229389.db2.gz WOYRABXRSHQOGJ-QLFBSQMISA-N 1 0 262.397 2.432 10 0 CEAERO CC[NH+](CC)[C@@H](C)CNC(=O)[C@H]1C[C@@H](C(C)=O)C1(C)C ZINC000153367093 540156182 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O=S1(=O)CC[C@H]2CN(Cc3cc4ccccc4o3)C[C@H]21 ZINC000329165875 202214940 /nfs/dbraw/zinc/21/49/40/202214940.db2.gz HSVFOIQKNSNIKM-SWLSCSKDSA-N 1 0 291.372 2.052 10 0 CEAERO COCCOCC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000079471671 363605583 /nfs/dbraw/zinc/60/55/83/363605583.db2.gz BOJGCCGBUFMCRC-IRXDYDNUSA-N 1 0 293.407 2.238 10 0 CEAERO Cc1ccccc1C[C@@H](C)NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079516139 363612530 /nfs/dbraw/zinc/61/25/30/363612530.db2.gz DLTWHKHEXDZIHH-CZUORRHYSA-N 1 0 260.381 2.184 10 0 CEAERO CC1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000570986768 299289126 /nfs/dbraw/zinc/28/91/26/299289126.db2.gz NGKGKXFGZFVYHQ-PBNFFQIGSA-N 1 0 250.386 2.166 10 0 CEAERO O[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000224127783 540560602 /nfs/dbraw/zinc/56/06/02/540560602.db2.gz CWOZNEXTFRSPGE-CQJMVSDSSA-N 1 0 266.429 2.190 10 0 CEAERO CCCN1CCC(=O)[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000685953445 540648769 /nfs/dbraw/zinc/64/87/69/540648769.db2.gz HFQAXBOIFIWIJP-INIZCTEOSA-N 1 0 296.411 2.441 10 0 CEAERO CCC[C@H](C(=O)NCCCc1ccc(OC)cc1)[NH+](C)C ZINC000137742596 366547750 /nfs/dbraw/zinc/54/77/50/366547750.db2.gz LTKVHLRBZKICGI-MRXNPFEDSA-N 1 0 292.423 2.474 10 0 CEAERO NC(=O)c1ccc([C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000144585031 366571925 /nfs/dbraw/zinc/57/19/25/366571925.db2.gz ZWFFUVPCHUPUKW-OAHLLOKOSA-N 1 0 252.317 2.021 10 0 CEAERO O=C(c1ccc(Br)cc1)[C@@H]1CC[NH2+]C1 ZINC000149044680 366586026 /nfs/dbraw/zinc/58/60/26/366586026.db2.gz OVUOTZUANLDTCA-SECBINFHSA-N 1 0 254.127 2.241 10 0 CEAERO Cc1cccc(NC[C@@H]2CC[N@H+](CCCCCO)C2)n1 ZINC000151110035 366620380 /nfs/dbraw/zinc/62/03/80/366620380.db2.gz NGQGEBPRNKYFDF-HNNXBMFYSA-N 1 0 277.412 2.286 10 0 CEAERO C[C@H](NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1F ZINC000151243120 366633551 /nfs/dbraw/zinc/63/35/51/366633551.db2.gz WFIAFMLUDSQVPS-UONOGXRCSA-N 1 0 280.387 2.323 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@H]1CCOc2ccccc21 ZINC000089453307 283514959 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ZINC000177760153 189067026 /nfs/dbraw/zinc/06/70/26/189067026.db2.gz OJYOTTQGVMLBQD-CVEARBPZSA-N 1 0 288.391 2.071 10 0 CEAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1 ZINC000178305028 189104922 /nfs/dbraw/zinc/10/49/22/189104922.db2.gz LNVHDPCYTDBQTQ-MRXNPFEDSA-N 1 0 298.390 2.295 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]2CN(c3ncccc3Cl)C[C@H]21 ZINC000228550163 283588762 /nfs/dbraw/zinc/58/87/62/283588762.db2.gz LBQCCZKUBNUEQZ-HOSYDEDBSA-N 1 0 251.761 2.299 10 0 CEAERO CC(C)Cc1ccc([C@@H](C)[NH2+][C@@H]2CCNC2=O)cc1 ZINC000179059118 189165937 /nfs/dbraw/zinc/16/59/37/189165937.db2.gz ASUMBCJATNPVLJ-IUODEOHRSA-N 1 0 260.381 2.424 10 0 CEAERO OC[C@H]1C[C@@H](O)C[N@@H+]1CCCc1cccc2ccccc21 ZINC000179184736 189175582 /nfs/dbraw/zinc/17/55/82/189175582.db2.gz OFONFOIWJQPRTQ-IAGOWNOFSA-N 1 0 285.387 2.200 10 0 CEAERO COc1ccc([C@@H](C)C[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000179637275 189208835 /nfs/dbraw/zinc/20/88/35/189208835.db2.gz VIDORQPAYNZRKR-XJKSGUPXSA-N 1 0 290.407 2.351 10 0 CEAERO O[C@@H]1CCC[NH2+][C@H]1C(O)(c1ccccc1)c1ccccc1 ZINC000003622561 361286867 /nfs/dbraw/zinc/28/68/67/361286867.db2.gz XMOKTMYFZDJYQI-IAGOWNOFSA-N 1 0 283.371 2.035 10 0 CEAERO OCC[NH+]1CCC(Cc2c[nH]c3ccccc23)CC1 ZINC000003642997 361288033 /nfs/dbraw/zinc/28/80/33/361288033.db2.gz BSSFPTZIYNJHCO-UHFFFAOYSA-N 1 0 258.365 2.415 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cnn(CC(C)C)c1 ZINC000181248404 189292510 /nfs/dbraw/zinc/29/25/10/189292510.db2.gz CVUPZXJSPINYTJ-OAHLLOKOSA-N 1 0 292.427 2.095 10 0 CEAERO CO[C@H](C)C[N@@H+]1CC[C@H](CNc2cccc(C)n2)C1 ZINC000182183491 189316092 /nfs/dbraw/zinc/31/60/92/189316092.db2.gz QGBOSHYIJFGFOQ-ZIAGYGMSSA-N 1 0 263.385 2.159 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2c(F)cccc2Cl)C1 ZINC000082287044 363759838 /nfs/dbraw/zinc/75/98/38/363759838.db2.gz CGVGGIVGAHEKIC-SECBINFHSA-N 1 0 270.735 2.255 10 0 CEAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccc(Cl)nc1 ZINC000083704077 363784903 /nfs/dbraw/zinc/78/49/03/363784903.db2.gz LVSBRWOSEWNOKR-WCQYABFASA-N 1 0 293.798 2.434 10 0 CEAERO C[C@H]([NH3+])c1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC000012506391 361386325 /nfs/dbraw/zinc/38/63/25/361386325.db2.gz GXTGOHDJEITASG-LBPRGKRZSA-N 1 0 290.388 2.185 10 0 CEAERO C[NH+](C)CCN1CCC(Nc2ccnc(Cl)c2)CC1 ZINC000301632695 201105504 /nfs/dbraw/zinc/10/55/04/201105504.db2.gz UOEWMIZYHROBCN-UHFFFAOYSA-N 1 0 282.819 2.173 10 0 CEAERO C[C@@H]1CC[C@H](C(=O)N2CC[NH+](C3CCCCC3)CC2)O1 ZINC000154939245 366798603 /nfs/dbraw/zinc/79/86/03/366798603.db2.gz YBESQHNFYDABAO-UKRRQHHQSA-N 1 0 280.412 2.031 10 0 CEAERO C[C@H]1CC[C@H](C(=O)N2CC[NH+](C3CCCCC3)CC2)O1 ZINC000154939359 366798648 /nfs/dbraw/zinc/79/86/48/366798648.db2.gz YBESQHNFYDABAO-DZGCQCFKSA-N 1 0 280.412 2.031 10 0 CEAERO [NH3+]CCCNC(=O)C(c1ccccc1)c1ccccc1 ZINC000013755514 361440753 /nfs/dbraw/zinc/44/07/53/361440753.db2.gz IPSKTULHAWOUBS-UHFFFAOYSA-N 1 0 268.360 2.284 10 0 CEAERO C[C@@H]1[C@H](C)SCC[N@@H+]1C[C@H](O)COCc1ccccc1 ZINC000084963736 363827856 /nfs/dbraw/zinc/82/78/56/363827856.db2.gz 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C[C@@H]1CN(C(=O)C2C3CC4CC(C3)CC2C4)C[C@@H]1C[NH3+] ZINC000638887377 370821918 /nfs/dbraw/zinc/82/19/18/370821918.db2.gz OZBUBKCKRBQPDT-NZYIEUEFSA-N 1 0 276.424 2.112 10 0 CEAERO CCc1ccc(CCC(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000638891563 370824675 /nfs/dbraw/zinc/82/46/75/370824675.db2.gz ZZPCRDBKPMDZEM-CZUORRHYSA-N 1 0 274.408 2.235 10 0 CEAERO CSc1ccc(C)c(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000638893297 370825457 /nfs/dbraw/zinc/82/54/57/370825457.db2.gz YLDDDDYPGKLIGT-RYUDHWBXSA-N 1 0 278.421 2.384 10 0 CEAERO Cc1cc(C)c(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)c(C)c1 ZINC000638893690 370826080 /nfs/dbraw/zinc/82/60/80/370826080.db2.gz NPEIXTSNDZVJCI-KGLIPLIRSA-N 1 0 260.381 2.279 10 0 CEAERO CC[C@H]1CC[C@H](C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000638898048 370828155 /nfs/dbraw/zinc/82/81/55/370828155.db2.gz HINSATCPDUXFMM-AAVRWANBSA-N 1 0 252.402 2.256 10 0 CEAERO Cc1nnc([C@@H]2C[N@H+](C[C@H]3CCC[C@@H](C)C3)CCO2)[nH]1 ZINC000245535177 370832860 /nfs/dbraw/zinc/83/28/60/370832860.db2.gz KITRSJNMRBBKOR-XBFCOCLRSA-N 1 0 278.400 2.313 10 0 CEAERO C[C@H](O)C[N@@H+]1CCN(CCCc2cccc(F)c2)C[C@@H]1C ZINC000245529273 370833180 /nfs/dbraw/zinc/83/31/80/370833180.db2.gz RGILBWDXZCDZKE-GJZGRUSLSA-N 1 0 294.414 2.145 10 0 CEAERO Clc1cnc(N[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000162814947 367191942 /nfs/dbraw/zinc/19/19/42/367191942.db2.gz VULRVTNQYDYNKV-ZETCQYMHSA-N 1 0 276.565 2.271 10 0 CEAERO C[C@H](C(=O)OC(C)(C)C)N(C)CC[C@H]1CCC[N@@H+]1C ZINC000245578064 370843130 /nfs/dbraw/zinc/84/31/30/370843130.db2.gz IFBJSEARPCQUQG-CHWSQXEVSA-N 1 0 270.417 2.133 10 0 CEAERO CC1(C)C[N@H+](CC2(O)CCC2)CCN1Cc1ccccc1 ZINC000341360993 367303424 /nfs/dbraw/zinc/30/34/24/367303424.db2.gz HCPMKCAOXRGKTI-UHFFFAOYSA-N 1 0 288.435 2.498 10 0 CEAERO CCOCc1cccc(NC(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000171084032 367474504 /nfs/dbraw/zinc/47/45/04/367474504.db2.gz AUBPLPPPXFRCJC-HNNXBMFYSA-N 1 0 291.395 2.391 10 0 CEAERO CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170837060 367429904 /nfs/dbraw/zinc/42/99/04/367429904.db2.gz ZCKLCBJOOAFSCS-HZPDHXFCSA-N 1 0 289.423 2.353 10 0 CEAERO COc1ccc(Cl)cc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170861987 367433816 /nfs/dbraw/zinc/43/38/16/367433816.db2.gz RCNRUENJCPACJS-LLVKDONJSA-N 1 0 282.771 2.125 10 0 CEAERO Cc1cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)c2ccccc2n1 ZINC000170862644 367434129 /nfs/dbraw/zinc/43/41/29/367434129.db2.gz QCFCERUFQPSBBN-CYBMUJFWSA-N 1 0 283.375 2.319 10 0 CEAERO Cn1cc([C@@H]2CCC[N@@H+]2C[C@H](O)Cc2ccccc2)cn1 ZINC000171412289 367536274 /nfs/dbraw/zinc/53/62/74/367536274.db2.gz ZCNLPTGCWNZWPX-SJORKVTESA-N 1 0 285.391 2.161 10 0 CEAERO COCCCCC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000171501036 367555520 /nfs/dbraw/zinc/55/55/20/367555520.db2.gz RWYNTPUPWLXIQN-UHFFFAOYSA-N 1 0 251.374 2.406 10 0 CEAERO C[C@@H]1CN(Cc2ccccc2Br)C[C@@H]1C[NH3+] ZINC000631844584 367585990 /nfs/dbraw/zinc/58/59/90/367585990.db2.gz YKQVHQXFJLIPCL-PWSUYJOCSA-N 1 0 283.213 2.476 10 0 CEAERO C[C@H]1CN(Cc2cc(Cl)c3c(c2)OCCO3)C[C@@H]1C[NH3+] ZINC000631843077 367586459 /nfs/dbraw/zinc/58/64/59/367586459.db2.gz JDOLHCJQPWLNSV-JQWIXIFHSA-N 1 0 296.798 2.138 10 0 CEAERO CC(=O)c1cccc(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000335533847 212230502 /nfs/dbraw/zinc/23/05/02/212230502.db2.gz INAMFDFPHUZCLY-IINYFYTJSA-N 1 0 260.337 2.216 10 0 CEAERO O=C(NCc1cccc(Cl)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171897295 367635625 /nfs/dbraw/zinc/63/56/25/367635625.db2.gz LOZUFKRRTJAJNK-AWEZNQCLSA-N 1 0 293.798 2.330 10 0 CEAERO COc1ccccc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000172134510 367680508 /nfs/dbraw/zinc/68/05/08/367680508.db2.gz NWBSRWOGWALXHF-CHWSQXEVSA-N 1 0 289.379 2.396 10 0 CEAERO c1ccc(NC[C@@H]2CC[N@@H+](CCc3cccnc3)C2)nc1 ZINC000172158952 367686202 /nfs/dbraw/zinc/68/62/02/367686202.db2.gz SSUCVJNPCLIESY-INIZCTEOSA-N 1 0 282.391 2.453 10 0 CEAERO CC[C@@H](O)C[NH+]1CCN([C@@H](C)c2ccc(F)cc2)CC1 ZINC000172355058 367725628 /nfs/dbraw/zinc/72/56/28/367725628.db2.gz PSQILGDLHGZMFV-XJKSGUPXSA-N 1 0 280.387 2.275 10 0 CEAERO CSCC[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000172433827 367741682 /nfs/dbraw/zinc/74/16/82/367741682.db2.gz FTRAGHXPILSZRI-GFCCVEGCSA-N 1 0 251.399 2.178 10 0 CEAERO CCOCC[N@@H+]1CCN(C(=O)[C@@H](C)C(C)C)C[C@@H]1CC ZINC000172297337 367712528 /nfs/dbraw/zinc/71/25/28/367712528.db2.gz KJWCPYHPYMJDLL-GJZGRUSLSA-N 1 0 284.444 2.238 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CCC(=O)C[C@@H]1C ZINC000245897897 370884320 /nfs/dbraw/zinc/88/43/20/370884320.db2.gz SVQQJGFBQCUSSH-NHIYQJMISA-N 1 0 292.423 2.077 10 0 CEAERO C[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cnn(C)c1 ZINC000343528762 367866041 /nfs/dbraw/zinc/86/60/41/367866041.db2.gz BLVZHZCJMCVNDI-YVECIDJPSA-N 1 0 251.374 2.274 10 0 CEAERO C[C@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(F)c1 ZINC000173575062 367925155 /nfs/dbraw/zinc/92/51/55/367925155.db2.gz XFRZTPXNGZYRNK-SWLSCSKDSA-N 1 0 276.355 2.236 10 0 CEAERO C[C@H](Cn1cccn1)[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000343574816 367893226 /nfs/dbraw/zinc/89/32/26/367893226.db2.gz PJOYUXZAUZEVKQ-AGIUHOORSA-N 1 0 251.374 2.065 10 0 CEAERO C[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)Cc1cccs1 ZINC000173914034 367958959 /nfs/dbraw/zinc/95/89/59/367958959.db2.gz BNYPQDUHBTWCNI-STQMWFEESA-N 1 0 295.452 2.272 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1csc(NC(C)=O)n1 ZINC000175349477 368128840 /nfs/dbraw/zinc/12/88/40/368128840.db2.gz YQQJPOMKXNFBTF-CYBMUJFWSA-N 1 0 296.440 2.018 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000175397615 368133544 /nfs/dbraw/zinc/13/35/44/368133544.db2.gz VFSVXVJFJWRLCQ-CQSZACIVSA-N 1 0 296.436 2.100 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cccnc1 ZINC000176307017 368222365 /nfs/dbraw/zinc/22/23/65/368222365.db2.gz XHDQREGIJYIPPN-CYBMUJFWSA-N 1 0 262.357 2.030 10 0 CEAERO Cc1ccccc1[C@H](C)NC(=O)N(C)CC[NH+](C)C ZINC000176127808 368204765 /nfs/dbraw/zinc/20/47/65/368204765.db2.gz PQONUMIUVJVDMY-ZDUSSCGKSA-N 1 0 263.385 2.259 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCCCSC ZINC000177525717 368269892 /nfs/dbraw/zinc/26/98/92/368269892.db2.gz AWYFNXLWLKYULR-ZDUSSCGKSA-N 1 0 287.473 2.255 10 0 CEAERO CCC[C@@H](C)C[NH+]1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000180101209 368367913 /nfs/dbraw/zinc/36/79/13/368367913.db2.gz DTNDFYPTXPGTNZ-OLZOCXBDSA-N 1 0 280.416 2.493 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1cc(F)c(F)cc1Cl ZINC000335499411 212180427 /nfs/dbraw/zinc/18/04/27/212180427.db2.gz DLFJNMXIJZJHEK-UPONEAKYSA-N 1 0 274.698 2.180 10 0 CEAERO CCCCNC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000052816798 541651507 /nfs/dbraw/zinc/65/15/07/541651507.db2.gz XBIHDDHFLYJBQK-CQSZACIVSA-N 1 0 263.385 2.389 10 0 CEAERO Cc1ccc(C[C@@H](C)C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000181200443 368431188 /nfs/dbraw/zinc/43/11/88/368431188.db2.gz YRQWCKHQVMCNFF-GDBMZVCRSA-N 1 0 274.408 2.336 10 0 CEAERO CCn1cc(C2CC[NH+](C[C@H](O)C(F)(F)F)CC2)cn1 ZINC000181669923 368481700 /nfs/dbraw/zinc/48/17/00/368481700.db2.gz PGMFUNVZCBOGKY-LBPRGKRZSA-N 1 0 291.317 2.006 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H](C)c2cc(C)ccc2OC)C1 ZINC000163854794 541680555 /nfs/dbraw/zinc/68/05/55/541680555.db2.gz IPUZIROTPTZZMJ-LSDHHAIUSA-N 1 0 292.423 2.375 10 0 CEAERO O=S1(=O)CCC[C@H]([NH2+][C@@H]2CCCc3cc(F)ccc32)C1 ZINC000183285556 368620348 /nfs/dbraw/zinc/62/03/48/368620348.db2.gz IWMJGMXGQFLNBO-DZGCQCFKSA-N 1 0 297.395 2.370 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCc3c2cccc3F)C1 ZINC000184468844 368697574 /nfs/dbraw/zinc/69/75/74/368697574.db2.gz SFYHRRNEXILAFN-GFCCVEGCSA-N 1 0 291.370 2.382 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCc3c2cccc3F)C1 ZINC000184468824 368697883 /nfs/dbraw/zinc/69/78/83/368697883.db2.gz SFYHRRNEXILAFN-LBPRGKRZSA-N 1 0 291.370 2.382 10 0 CEAERO Cc1ccc(F)cc1CN1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246030480 370900888 /nfs/dbraw/zinc/90/08/88/370900888.db2.gz WALBEADZHUGNLF-KGLIPLIRSA-N 1 0 280.387 2.021 10 0 CEAERO CCC[C@H](C)CS(=O)(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246067463 370904864 /nfs/dbraw/zinc/90/48/64/370904864.db2.gz DSRPJSRPQOTIGV-MJBXVCDLSA-N 1 0 290.473 2.071 10 0 CEAERO C[C@@H]1C[C@@H]1NC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000246110241 370910635 /nfs/dbraw/zinc/91/06/35/370910635.db2.gz LODAZXJAHPVMJK-MCIONIFRSA-N 1 0 267.417 2.349 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cn2ccccc2n1 ZINC000246169805 370919368 /nfs/dbraw/zinc/91/93/68/370919368.db2.gz VFCFOYXEYBSMFP-HOTGVXAUSA-N 1 0 284.407 2.393 10 0 CEAERO CCOCCCCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1CC ZINC000246352264 370949410 /nfs/dbraw/zinc/94/94/10/370949410.db2.gz PIJBEGJYCKFATL-CABCVRRESA-N 1 0 297.443 2.071 10 0 CEAERO CCOc1ccc(CN2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000246266118 370938363 /nfs/dbraw/zinc/93/83/63/370938363.db2.gz GUOVOMHZNDIKPW-HNNXBMFYSA-N 1 0 260.381 2.365 10 0 CEAERO C[C@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])C1)Oc1ccccc1Cl ZINC000246284203 370940665 /nfs/dbraw/zinc/94/06/65/370940665.db2.gz MTBUZLBLHFAQTO-GRYCIOLGSA-N 1 0 296.798 2.351 10 0 CEAERO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2CN(C)CCO2)cc1 ZINC000246327257 370946145 /nfs/dbraw/zinc/94/61/45/370946145.db2.gz FVTZULWVANGHNU-CPUCHLNUSA-N 1 0 292.423 2.107 10 0 CEAERO CCC[C@H](NC[C@@H](O)C[NH+]1CCCCC1)c1cccnc1 ZINC000185114746 368750384 /nfs/dbraw/zinc/75/03/84/368750384.db2.gz JPMHBXSEJLWROR-SJORKVTESA-N 1 0 291.439 2.359 10 0 CEAERO CN(CC1CCCC1)C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634748402 368860976 /nfs/dbraw/zinc/86/09/76/368860976.db2.gz YVPZPAZYOXNQTR-ZFWWWQNUSA-N 1 0 250.386 2.025 10 0 CEAERO CC(C)C[C@H]1CCN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634751259 368861700 /nfs/dbraw/zinc/86/17/00/368861700.db2.gz NKOUSOHTASNFAJ-YCPHGPKFSA-N 1 0 264.413 2.271 10 0 CEAERO CCc1ccc(O)c(NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)c1 ZINC000634771230 368875193 /nfs/dbraw/zinc/87/51/93/368875193.db2.gz NHBBXVMLNDATGM-LRDDRELGSA-N 1 0 274.364 2.283 10 0 CEAERO Cc1ccc(O)c(NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)c1 ZINC000634770496 368875450 /nfs/dbraw/zinc/87/54/50/368875450.db2.gz NCNFGJXLKWYTSE-NHYWBVRUSA-N 1 0 260.337 2.029 10 0 CEAERO O=C(N1CCC[C@H](C(F)(F)F)C1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634736474 368850284 /nfs/dbraw/zinc/85/02/84/368850284.db2.gz OHXGJXPJTRPAFD-GVXVVHGQSA-N 1 0 290.329 2.177 10 0 CEAERO CN(C(=O)[C@]12CCC[C@H]1C[NH2+]C2)c1ccc(F)cc1 ZINC000634741984 368854073 /nfs/dbraw/zinc/85/40/73/368854073.db2.gz VSURSYSCXQDGOA-NHYWBVRUSA-N 1 0 262.328 2.178 10 0 CEAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)CCC1CC1)CC2 ZINC000186399475 368969406 /nfs/dbraw/zinc/96/94/06/368969406.db2.gz KUTZHHMREQUMLN-WCQYABFASA-N 1 0 262.401 2.324 10 0 CEAERO COc1ccsc1[C@@H](C)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000186122833 368922470 /nfs/dbraw/zinc/92/24/70/368922470.db2.gz BYRBLYASWYYVMR-CHWSQXEVSA-N 1 0 298.452 2.254 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]CC2(CO)CCCC2)C12CCOCC2 ZINC000186478893 368980834 /nfs/dbraw/zinc/98/08/34/368980834.db2.gz WDTFAVYMWKOJBL-LSDHHAIUSA-N 1 0 297.439 2.103 10 0 CEAERO CSCCCCCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000186164757 368928870 /nfs/dbraw/zinc/92/88/70/368928870.db2.gz INLUBYWGVFKTDG-ZIAGYGMSSA-N 1 0 299.484 2.398 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cnn(C)c2)C12CCOCC2 ZINC000186356233 368962480 /nfs/dbraw/zinc/96/24/80/368962480.db2.gz HAHVAGZKCQCXPC-AEGPPILISA-N 1 0 293.411 2.045 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+]Cc2cccn2C)C12CCOCC2 ZINC000186368033 368964408 /nfs/dbraw/zinc/96/44/08/368964408.db2.gz CIEHYTGCPMWUKJ-CABCVRRESA-N 1 0 278.396 2.089 10 0 CEAERO COc1cc([C@H](C)[NH2+][C@H]2CCC(=O)N[C@H]2C)ccc1F ZINC000348332583 369007980 /nfs/dbraw/zinc/00/79/80/369007980.db2.gz BBTVJEGBIZPRBK-KWBADKCTSA-N 1 0 280.343 2.152 10 0 CEAERO CCn1ccnc1C[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188103213 369295570 /nfs/dbraw/zinc/29/55/70/369295570.db2.gz AHCOIDBVEJVWBA-KBPBESRZSA-N 1 0 291.420 2.172 10 0 CEAERO CCC[C@@H](C(=O)Nc1ccc(OC2COC2)cc1)[NH+](C)C ZINC000188102947 369295780 /nfs/dbraw/zinc/29/57/80/369295780.db2.gz LVGVIGHXIUPWLY-HNNXBMFYSA-N 1 0 292.379 2.133 10 0 CEAERO CC(C)C1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000227430856 189784559 /nfs/dbraw/zinc/78/45/59/189784559.db2.gz YEHANQGDFQLTCL-ZIAGYGMSSA-N 1 0 252.402 2.256 10 0 CEAERO O=C(c1cccnc1C(F)(F)F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000188364436 369344538 /nfs/dbraw/zinc/34/45/38/369344538.db2.gz MHWPOHLEWRGPLN-JTQLQIEISA-N 1 0 299.296 2.021 10 0 CEAERO CC(C)Oc1cc(NC[C@@H]2CCC[C@H]([NH3+])C2)ncn1 ZINC000227676129 189787372 /nfs/dbraw/zinc/78/73/72/189787372.db2.gz XKFOJQKBTPVGTD-NEPJUHHUSA-N 1 0 264.373 2.193 10 0 CEAERO Fc1cc(Cl)ccc1C[NH2+][C@@H]1CCc2ncnn2C1 ZINC000189011916 369442779 /nfs/dbraw/zinc/44/27/79/369442779.db2.gz UNLFAPUWSDFQDI-LLVKDONJSA-N 1 0 280.734 2.175 10 0 CEAERO CCC[C@@H](C(=O)NCc1cc(F)ccc1OC)[NH+](C)C ZINC000188681400 369393496 /nfs/dbraw/zinc/39/34/96/369393496.db2.gz NFPKTJXEGWWQGG-ZDUSSCGKSA-N 1 0 282.359 2.181 10 0 CEAERO C[C@H]1C[N@H+](CCC2CCCC2)C[C@H]1N1CCOCC1 ZINC000246537739 370975586 /nfs/dbraw/zinc/97/55/86/370975586.db2.gz SOEWJDDEKCQKEA-GOEBONIOSA-N 1 0 266.429 2.219 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000246433724 370961019 /nfs/dbraw/zinc/96/10/19/370961019.db2.gz JPADEYXYRQKNGE-ZSAUSMIDSA-N 1 0 262.397 2.118 10 0 CEAERO CCn1cc([C@H](C)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cn1 ZINC000246569421 370978128 /nfs/dbraw/zinc/97/81/28/370978128.db2.gz XTBRHZHDHLWXGX-VNHYZAJKSA-N 1 0 264.417 2.282 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC1(C2CC2)CC1 ZINC000246571179 370979562 /nfs/dbraw/zinc/97/95/62/370979562.db2.gz MLOYOXRWNVHNEA-OCCSQVGLSA-N 1 0 277.412 2.055 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@]23CCc2ccccc23)C1 ZINC000246668901 370991860 /nfs/dbraw/zinc/99/18/60/370991860.db2.gz GCZOFRBUPJOCJB-HFTRVMKXSA-N 1 0 284.403 2.053 10 0 CEAERO Cc1cncc(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000189892365 369577274 /nfs/dbraw/zinc/57/72/74/369577274.db2.gz XHEVGQVLQGDHJX-AWEZNQCLSA-N 1 0 256.353 2.113 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CCC(=O)OC(C)(C)C ZINC000191916547 369754523 /nfs/dbraw/zinc/75/45/23/369754523.db2.gz NXFGTKHZGPKCIQ-CYBMUJFWSA-N 1 0 298.427 2.051 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccoc2Cl)C1 ZINC000192338930 369797778 /nfs/dbraw/zinc/79/77/78/369797778.db2.gz XHTZTQFTXVOZLB-KOLCDFICSA-N 1 0 270.760 2.392 10 0 CEAERO Cc1csc([C@@H]2CCCN(C(=O)CC[C@@H](C)[NH3+])C2)n1 ZINC000193308741 369922420 /nfs/dbraw/zinc/92/24/20/369922420.db2.gz YHWONTOPZOMESK-ZYHUDNBSSA-N 1 0 281.425 2.285 10 0 CEAERO CCO[C@H]1C[C@H]([NH2+]CC2(SC)CC2)C12CCOCC2 ZINC000193813448 369983459 /nfs/dbraw/zinc/98/34/59/369983459.db2.gz QKKJHFOCGJTKDM-STQMWFEESA-N 1 0 285.453 2.446 10 0 CEAERO C=Cn1cc(C[NH+]2CCC(c3ccnn3C)CC2)cn1 ZINC000193851750 369985695 /nfs/dbraw/zinc/98/56/95/369985695.db2.gz JUIAEIHASLFTID-UHFFFAOYSA-N 1 0 271.368 2.097 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1cscc1Cl ZINC000637849738 370117611 /nfs/dbraw/zinc/11/76/11/370117611.db2.gz HUAFZDQDTPQVNG-OIBJUYFYSA-N 1 0 258.774 2.259 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(c2cnc3ccccc3n2)CC[NH2+]1 ZINC000217814593 370201989 /nfs/dbraw/zinc/20/19/89/370201989.db2.gz JQWAILDHYBPQSS-DOMZBBRYSA-N 1 0 270.380 2.454 10 0 CEAERO CCC[C@@H]1C[C@@H]1NC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1 ZINC000638038717 370261521 /nfs/dbraw/zinc/26/15/21/370261521.db2.gz PKMHQFRTKIDEQO-DRPJVOAASA-N 1 0 290.407 2.224 10 0 CEAERO Cc1ccc(C(=O)NC[C@H]2CC[NH2+]C2)cc1C(F)(F)F ZINC000638166762 370351089 /nfs/dbraw/zinc/35/10/89/370351089.db2.gz VRTYNYCHJCDOBP-JTQLQIEISA-N 1 0 286.297 2.353 10 0 CEAERO CN(C(=O)C1CCC=CCC1)[C@@H]1CCC[NH2+]CC1 ZINC000638193591 370367359 /nfs/dbraw/zinc/36/73/59/370367359.db2.gz UGLJFFKVJBVFHJ-CQSZACIVSA-N 1 0 250.386 2.333 10 0 CEAERO C[C@@]1(C(=O)N2CCc3ccc(F)cc32)CCCC[NH2+]1 ZINC000227694810 370379819 /nfs/dbraw/zinc/37/98/19/370379819.db2.gz SCGFNCOZCKICMY-HNNXBMFYSA-N 1 0 262.328 2.247 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)c1csc(C(F)(F)F)c1 ZINC000638220174 370383730 /nfs/dbraw/zinc/38/37/30/370383730.db2.gz NXKNZUXSNJXWQX-ZCFIWIBFSA-N 1 0 266.288 2.105 10 0 CEAERO CC(C)n1cncc1C[NH2+][C@H]1CCCC[C@@H]1CO ZINC000231295784 370476140 /nfs/dbraw/zinc/47/61/40/370476140.db2.gz WXFIOEFXLWSHLY-OCCSQVGLSA-N 1 0 251.374 2.105 10 0 CEAERO Cc1cccc(NC(=O)CN(C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000231670058 370487604 /nfs/dbraw/zinc/48/76/04/370487604.db2.gz QBJZUJBOAOEZRZ-OAHLLOKOSA-N 1 0 275.396 2.007 10 0 CEAERO COc1cccc(Cl)c1CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000234892582 370548553 /nfs/dbraw/zinc/54/85/53/370548553.db2.gz RVDXKEFCMJILJS-VHSXEESVSA-N 1 0 282.771 2.092 10 0 CEAERO COc1ccc(CN2C[C@@H](C)[C@@H]([NH3+])C2)c(Cl)c1OC ZINC000234934344 370550922 /nfs/dbraw/zinc/55/09/22/370550922.db2.gz ISEUXXJZOALUJQ-KOLCDFICSA-N 1 0 284.787 2.136 10 0 CEAERO Cc1nc(N[C@H](C)CC[NH3+])ccc1Br ZINC000235443122 370566340 /nfs/dbraw/zinc/56/63/40/370566340.db2.gz NPMHQOYFDQFFMY-SSDOTTSWSA-N 1 0 258.163 2.302 10 0 CEAERO C[C@H]1CN(Cc2coc(-c3cccs3)n2)C[C@@H]1[NH3+] ZINC000235728374 370576203 /nfs/dbraw/zinc/57/62/03/370576203.db2.gz NWGNNUIRQVDUFP-ONGXEEELSA-N 1 0 263.366 2.182 10 0 CEAERO Cc1ccnc(N2CCC[C@H]2C[NH3+])c1Br ZINC000235924284 370581119 /nfs/dbraw/zinc/58/11/19/370581119.db2.gz LHMFCEYCFZRXJP-VIFPVBQESA-N 1 0 270.174 2.080 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)NCC(C)(C)C(F)(F)CC ZINC000638601584 370630970 /nfs/dbraw/zinc/63/09/70/370630970.db2.gz ROVHRYUSMIRWGD-SECBINFHSA-N 1 0 250.333 2.302 10 0 CEAERO CC(C)([NH3+])C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000236806734 370631182 /nfs/dbraw/zinc/63/11/82/370631182.db2.gz LMIRXBALSREXPD-SNVBAGLBSA-N 1 0 274.286 2.014 10 0 CEAERO Cc1ccc2c(CN3CC[N@@H+]4CCC[C@H]4C3)cc(=O)oc2c1 ZINC000246774179 371007717 /nfs/dbraw/zinc/00/77/17/371007717.db2.gz YWVPTSOFUKECSS-HNNXBMFYSA-N 1 0 298.386 2.381 10 0 CEAERO C[C@H](NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)C1CCCC1 ZINC000247039876 371051907 /nfs/dbraw/zinc/05/19/07/371051907.db2.gz RVXUKFKQNSWWTF-ZFWWWQNUSA-N 1 0 279.428 2.445 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)COc1ccccc1 ZINC000246976929 371040816 /nfs/dbraw/zinc/04/08/16/371040816.db2.gz NXXWUKIKFFCSNH-GJZGRUSLSA-N 1 0 288.391 2.151 10 0 CEAERO COC(=O)c1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)oc1C ZINC000247055045 371055700 /nfs/dbraw/zinc/05/57/00/371055700.db2.gz HCPWAYPHZUQFBH-YPMHNXCESA-N 1 0 292.379 2.043 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccoc1C ZINC000247077621 371061336 /nfs/dbraw/zinc/06/13/36/371061336.db2.gz ZCCJIRVPGUCUAV-OLZOCXBDSA-N 1 0 262.353 2.287 10 0 CEAERO CCCCOCCCNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247094779 371064719 /nfs/dbraw/zinc/06/47/19/371064719.db2.gz JQFLSVJNHGJYMX-CABCVRRESA-N 1 0 299.459 2.221 10 0 CEAERO CC(C)c1noc([C@H](C)N2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000247129130 371068405 /nfs/dbraw/zinc/06/84/05/371068405.db2.gz KFHIQOIAWDFSJV-RYUDHWBXSA-N 1 0 264.373 2.034 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1cc(F)ccc1F ZINC000247204421 371076576 /nfs/dbraw/zinc/07/65/76/371076576.db2.gz UNLUQTYHKOLUMP-FZMZJTMJSA-N 1 0 294.345 2.202 10 0 CEAERO C[C@H](C[N@@H+]1CC[C@@H](N2CCOCC2)C1)c1ccccc1 ZINC000247254787 371084041 /nfs/dbraw/zinc/08/40/41/371084041.db2.gz ZGSKRASHKQZPFP-NVXWUHKLSA-N 1 0 274.408 2.197 10 0 CEAERO CCO[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)COC(C)(C)C)C1(C)C ZINC000247315328 371091559 /nfs/dbraw/zinc/09/15/59/371091559.db2.gz WLNGWZGOBZMGMX-HZSPNIEDSA-N 1 0 287.444 2.298 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCCCO2)C1 ZINC000247318094 371092837 /nfs/dbraw/zinc/09/28/37/371092837.db2.gz MHVFZFLSXOMLIO-QLFBSQMISA-N 1 0 282.428 2.181 10 0 CEAERO C[C@H](O)C[N@@H+]1CCN(Cc2cc3ccccc3o2)C[C@H]1C ZINC000247320594 371092893 /nfs/dbraw/zinc/09/28/93/371092893.db2.gz WEIUYTFACXSDAG-KGLIPLIRSA-N 1 0 288.391 2.320 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N(C)Cc2nccs2)C1 ZINC000247408028 371104097 /nfs/dbraw/zinc/10/40/97/371104097.db2.gz RMKNVTGGTAVQBK-VXGBXAGGSA-N 1 0 296.440 2.013 10 0 CEAERO COC(=O)c1oc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1C ZINC000247460202 371110159 /nfs/dbraw/zinc/11/01/59/371110159.db2.gz QTERIBOLIQLQTB-OLZOCXBDSA-N 1 0 292.379 2.043 10 0 CEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CCC2CCOCC2)C1 ZINC000247492685 371115884 /nfs/dbraw/zinc/11/58/84/371115884.db2.gz WZUYIGDRHGVAFQ-DZGCQCFKSA-N 1 0 282.428 2.038 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cn(C)c2ccccc12 ZINC000247530675 371121444 /nfs/dbraw/zinc/12/14/44/371121444.db2.gz XMACTAROIVCYRQ-KGLIPLIRSA-N 1 0 297.402 2.487 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(Cl)nc1 ZINC000247549143 371124457 /nfs/dbraw/zinc/12/44/57/371124457.db2.gz ZDXCGIJXOSLHOB-JQWIXIFHSA-N 1 0 294.786 2.435 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1(c2ccccc2)CC1 ZINC000247545514 371124467 /nfs/dbraw/zinc/12/44/67/371124467.db2.gz YTUCPHIMDTVKCZ-ZBFHGGJFSA-N 1 0 284.403 2.413 10 0 CEAERO COCCN1CC[N@@H+]([C@H](C)c2ccccc2)C[C@@H]1C ZINC000247596993 371129632 /nfs/dbraw/zinc/12/96/32/371129632.db2.gz KJSBMXYEYWIDLW-LSDHHAIUSA-N 1 0 262.397 2.400 10 0 CEAERO COC(=O)[C@H](C)C[NH+]1CCC(C(F)(F)F)CC1 ZINC000088422892 284251860 /nfs/dbraw/zinc/25/18/60/284251860.db2.gz LBGWMYZWEQTWGC-MRVPVSSYSA-N 1 0 253.264 2.070 10 0 CEAERO O[C@H](C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)c1ccccc1F ZINC000247990464 371153803 /nfs/dbraw/zinc/15/38/03/371153803.db2.gz JIOAGWSHSXCELT-XYPHTWIQSA-N 1 0 293.382 2.486 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C3(c4ccccc4)CCC3)C[C@H]12 ZINC000248588885 371218611 /nfs/dbraw/zinc/21/86/11/371218611.db2.gz GSYIWULTUJBPBK-VNQPRFMTSA-N 1 0 284.403 2.304 10 0 CEAERO CC[C@@H]1CCCC[C@@H]1OCC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000248616315 371223899 /nfs/dbraw/zinc/22/38/99/371223899.db2.gz AKZPBJKNMXSXKB-KFWWJZLASA-N 1 0 282.428 2.134 10 0 CEAERO C[C@H](C[NH2+]C[C@H]1CC(=O)N(C)C1)C1CCCCC1 ZINC000639319135 371225564 /nfs/dbraw/zinc/22/55/64/371225564.db2.gz CSRHAIPAGKHOKK-CHWSQXEVSA-N 1 0 252.402 2.271 10 0 CEAERO CCCCOC[C@H](O)C[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000248656799 371232093 /nfs/dbraw/zinc/23/20/93/371232093.db2.gz RWHLPZNNYRCAHK-ZACQAIPSSA-N 1 0 293.407 2.284 10 0 CEAERO C[C@H]1CN(Cc2nc(-c3ccc(Cl)cc3)no2)C[C@@H]1[NH3+] ZINC000235730284 189830640 /nfs/dbraw/zinc/83/06/40/189830640.db2.gz YMYUUGCJSFFTRI-CABZTGNLSA-N 1 0 292.770 2.169 10 0 CEAERO CCC(=O)CC[N@H+]1[C@H](C(=O)OC)C[C@H]2CCCC[C@@H]21 ZINC000249025157 371283834 /nfs/dbraw/zinc/28/38/34/371283834.db2.gz LIRZJYRVEVNCOO-XBFCOCLRSA-N 1 0 267.369 2.162 10 0 CEAERO CC(C)C[C@@]1(CO)CCC[N@@H+]1C[C@@H](O)COC(C)(C)C ZINC000249034544 371284768 /nfs/dbraw/zinc/28/47/68/371284768.db2.gz FUURODIQIJWKGH-GDBMZVCRSA-N 1 0 287.444 2.035 10 0 CEAERO C[N@H+](C[C@H](O)CC1CCCC1)C[C@H]1CCC[C@H]1O ZINC000248914380 371270247 /nfs/dbraw/zinc/27/02/47/371270247.db2.gz NZYFZLWNGNFBEA-RBSFLKMASA-N 1 0 255.402 2.020 10 0 CEAERO C[C@@H]1CC[N@H+](C[C@@H](O)COCc2ccccc2)CCS1 ZINC000248961874 371275274 /nfs/dbraw/zinc/27/52/74/371275274.db2.gz CCIGQNWGXBVXRN-GDBMZVCRSA-N 1 0 295.448 2.392 10 0 CEAERO CC[C@@](C)(O)C[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000249397149 371318959 /nfs/dbraw/zinc/31/89/59/371318959.db2.gz RWDFUKIMSZKXHI-CVEARBPZSA-N 1 0 263.381 2.395 10 0 CEAERO CC(C)c1cccc(S(=O)(=O)N[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000236806386 189845663 /nfs/dbraw/zinc/84/56/63/189845663.db2.gz HUJDVYXWHPCQKA-HIFRSBDPSA-N 1 0 296.436 2.216 10 0 CEAERO CN1CC[C@H]([NH3+])[C@H]1c1cccc(Br)c1 ZINC000250651458 371388802 /nfs/dbraw/zinc/38/88/02/371388802.db2.gz WWETYTHXTSHEFV-WDEREUQCSA-N 1 0 255.159 2.153 10 0 CEAERO C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCCc2ccccc21 ZINC000249946197 371371781 /nfs/dbraw/zinc/37/17/81/371371781.db2.gz YVJJOSMNCHTZEB-ZBFHGGJFSA-N 1 0 287.407 2.457 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(F)nc1 ZINC000250146505 371378922 /nfs/dbraw/zinc/37/89/22/371378922.db2.gz ZWZFAXHCGLZQTH-KGLIPLIRSA-N 1 0 263.360 2.279 10 0 CEAERO CC1(C)CO[C@H](C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)C1 ZINC000639518157 371379483 /nfs/dbraw/zinc/37/94/83/371379483.db2.gz ACVLXHPPJSQVKB-YCPHGPKFSA-N 1 0 267.413 2.429 10 0 CEAERO CCOc1cc(C)ccc1CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000237040587 189860439 /nfs/dbraw/zinc/86/04/39/189860439.db2.gz PWZZBCVZBGDOPK-OCCSQVGLSA-N 1 0 276.380 2.137 10 0 CEAERO CCOCC[N@@H+]1CCN(C(=O)C[C@H](C)CC)C[C@@H]1CC ZINC000253282702 371505819 /nfs/dbraw/zinc/50/58/19/371505819.db2.gz ZZLMBTMRLKEXAL-CABCVRRESA-N 1 0 284.444 2.382 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N1CCCCCC1 ZINC000253172572 371499688 /nfs/dbraw/zinc/49/96/88/371499688.db2.gz KFHHINFVFZAGRY-KBPBESRZSA-N 1 0 265.401 2.151 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(c3ncccc3C(F)(F)F)C[C@@H]12 ZINC000261586129 371664420 /nfs/dbraw/zinc/66/44/20/371664420.db2.gz ITVTWOXZXBJSEF-FXPVBKGRSA-N 1 0 271.286 2.274 10 0 CEAERO C[C@@H]1CCN(c2nccc(C(C)(C)C)n2)C[C@@H]1C[NH3+] ZINC000261590287 371666916 /nfs/dbraw/zinc/66/69/16/371666916.db2.gz LGYLVJXJMHZNKG-NEPJUHHUSA-N 1 0 262.401 2.195 10 0 CEAERO [NH3+]CCN1CCC(c2ccc3ncccc3c2)CC1 ZINC000259262658 371624322 /nfs/dbraw/zinc/62/43/22/371624322.db2.gz RKMJBCYIOKOKGW-UHFFFAOYSA-N 1 0 255.365 2.373 10 0 CEAERO COC(=O)[C@]1(c2ccc(C(F)(F)F)cc2)CC[NH2+]C1 ZINC000261230266 371636803 /nfs/dbraw/zinc/63/68/03/371636803.db2.gz PEBNGSNYAMTWMM-GFCCVEGCSA-N 1 0 273.254 2.110 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(c3ncccc3Br)C[C@H]12 ZINC000261571989 371655354 /nfs/dbraw/zinc/65/53/54/371655354.db2.gz HXQLPUNPCFLVGA-WCABBAIRSA-N 1 0 282.185 2.018 10 0 CEAERO Cc1nc([C@H]2CCCN(C(=O)[C@H]3CCC[NH2+]3)C2)sc1C ZINC000261789605 371732461 /nfs/dbraw/zinc/73/24/61/371732461.db2.gz UUNDOLFFDGOCSH-QWHCGFSZSA-N 1 0 293.436 2.218 10 0 CEAERO C[C@H]1CN(Cc2ccc(Oc3cnccn3)cc2)C[C@H]1[NH3+] ZINC000261690692 371703700 /nfs/dbraw/zinc/70/37/00/371703700.db2.gz AWBJUOBOLAYDLW-SWLSCSKDSA-N 1 0 284.363 2.048 10 0 CEAERO [NH3+][C@@H]1CC[C@H]2CN(Cc3nccn3-c3ccccc3)C[C@@H]12 ZINC000261827414 371743015 /nfs/dbraw/zinc/74/30/15/371743015.db2.gz IVKFFJNJANCVEX-NUEKZKHPSA-N 1 0 282.391 2.041 10 0 CEAERO C[NH2+][C@@H](C)Cc1noc(CCOc2ccccc2Cl)n1 ZINC000261862789 371755142 /nfs/dbraw/zinc/75/51/42/371755142.db2.gz UMJYKYDKTPYNMI-JTQLQIEISA-N 1 0 295.770 2.495 10 0 CEAERO Nc1ncc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)s1 ZINC000261894745 371765297 /nfs/dbraw/zinc/76/52/97/371765297.db2.gz UQYQSEZKUALMBP-NSHDSACASA-N 1 0 289.408 2.054 10 0 CEAERO CCC[NH2+]CCNc1ncnc2c1cnn2-c1ccccc1 ZINC000261946284 371780143 /nfs/dbraw/zinc/78/01/43/371780143.db2.gz MGTGLJHKBHAKHH-UHFFFAOYSA-N 1 0 296.378 2.227 10 0 CEAERO C(CC1CCCC1)[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000261987319 371790650 /nfs/dbraw/zinc/79/06/50/371790650.db2.gz SIGNFRJPWBWRNE-BZUAXINKSA-N 1 0 266.429 2.313 10 0 CEAERO COC(=O)[C@@H](CC1CCCCC1)NC[C@H]1CCC[NH2+]C1 ZINC000261819313 371742558 /nfs/dbraw/zinc/74/25/58/371742558.db2.gz IFZIXCCUSNWHBL-LSDHHAIUSA-N 1 0 282.428 2.088 10 0 CEAERO [NH3+]C[C@@H]1CCCN1CCOc1ccc(F)cc1Cl ZINC000262190425 371835472 /nfs/dbraw/zinc/83/54/72/371835472.db2.gz YKUOJTCXSFKEBC-NSHDSACASA-N 1 0 272.751 2.281 10 0 CEAERO COC(=O)[C@H]1CCCCCC[C@H]1[NH2+]Cc1cnc(N)s1 ZINC000262060552 371815031 /nfs/dbraw/zinc/81/50/31/371815031.db2.gz RCKWYTNMTWCLMP-NWDGAFQWSA-N 1 0 297.424 2.327 10 0 CEAERO COC(=O)[C@H]1CCCCCC[C@@H]1[NH2+]Cc1cnc(N)s1 ZINC000262060554 371815273 /nfs/dbraw/zinc/81/52/73/371815273.db2.gz RCKWYTNMTWCLMP-RYUDHWBXSA-N 1 0 297.424 2.327 10 0 CEAERO COc1cccc(CN2C[C@H]([NH3+])[C@@H](C)C2)c1OC(F)F ZINC000262078338 371819514 /nfs/dbraw/zinc/81/95/14/371819514.db2.gz SVCRTRQAGUTBIS-ONGXEEELSA-N 1 0 286.322 2.076 10 0 CEAERO CCSc1ccc(Cl)cc1NC(=O)[C@@H]([NH3+])COC ZINC000262285763 371847730 /nfs/dbraw/zinc/84/77/30/371847730.db2.gz XWTPZHCFZAMJMC-VIFPVBQESA-N 1 0 288.800 2.364 10 0 CEAERO COC[C@@H]([NH3+])C(=O)N(CC1CCC1)[C@H](C)c1ccccc1 ZINC000262354466 371853724 /nfs/dbraw/zinc/85/37/24/371853724.db2.gz GREKZTIIYQQPTG-CZUORRHYSA-N 1 0 290.407 2.350 10 0 CEAERO COC[C@@H]([NH3+])C(=O)N(CC1CCC1)[C@@H](C)c1ccccc1 ZINC000262354468 371854007 /nfs/dbraw/zinc/85/40/07/371854007.db2.gz GREKZTIIYQQPTG-XJKSGUPXSA-N 1 0 290.407 2.350 10 0 CEAERO COc1ccccc1CC(C)(C)C(=O)NCC[C@@H](C)[NH3+] ZINC000262542485 371873530 /nfs/dbraw/zinc/87/35/30/371873530.db2.gz WVPZNQRQWFZAJU-GFCCVEGCSA-N 1 0 278.396 2.117 10 0 CEAERO COC[C@H]([NH3+])C(=O)N(CCc1ccccc1)c1ccccc1 ZINC000262540030 371874304 /nfs/dbraw/zinc/87/43/04/371874304.db2.gz NDKVGZAHIKVPHF-KRWDZBQOSA-N 1 0 298.386 2.236 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](C(=O)Nc2ccc3scnc3c2)C1 ZINC000262599948 371882968 /nfs/dbraw/zinc/88/29/68/371882968.db2.gz BJJJNNFXAOLYIC-RKDXNWHRSA-N 1 0 261.350 2.362 10 0 CEAERO CCCN(C(=O)[C@H]([NH3+])COC)[C@H](CC)c1ccccc1 ZINC000262240839 371839976 /nfs/dbraw/zinc/83/99/76/371839976.db2.gz RLYDNROYIMSAPQ-HUUCEWRRSA-N 1 0 278.396 2.350 10 0 CEAERO COC(=O)c1cccc(C[N@@H+]2CC[C@H](CCO)C2)c1Cl ZINC000362978285 372601957 /nfs/dbraw/zinc/60/19/57/372601957.db2.gz YPMZWODFMOUBIN-LLVKDONJSA-N 1 0 297.782 2.331 10 0 CEAERO [NH3+]C1CCC(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000237804596 189890680 /nfs/dbraw/zinc/89/06/80/189890680.db2.gz UUEAWZIPADLDIS-TUUUFIMRSA-N 1 0 294.345 2.454 10 0 CEAERO COc1c(C[NH2+]Cc2cc(C)cs2)c(C)nn1C ZINC000344616068 217249401 /nfs/dbraw/zinc/24/94/01/217249401.db2.gz SQXRYUVXRVNFRM-UHFFFAOYSA-N 1 0 265.382 2.397 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1N[C@H]1CCC(=O)Nc2ccccc21 ZINC000333231518 205136183 /nfs/dbraw/zinc/13/61/83/205136183.db2.gz CBHHMNDGHPWLHF-LNSITVRQSA-N 1 0 273.380 2.190 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)N[C@@H]1CCc2ccccc21 ZINC000054306264 541885825 /nfs/dbraw/zinc/88/58/25/541885825.db2.gz YTUDCYHTBZIMLY-IUODEOHRSA-N 1 0 258.365 2.180 10 0 CEAERO C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)o1 ZINC000643600321 373211502 /nfs/dbraw/zinc/21/15/02/373211502.db2.gz HOCDHQQWXHIJKQ-OXHZDVMGSA-N 1 0 276.380 2.141 10 0 CEAERO COC[C@@]1(C(=O)Nc2ccc(C)cc2C)CCC[NH2+]1 ZINC000643614877 373221407 /nfs/dbraw/zinc/22/14/07/373221407.db2.gz OJUQLNKGSNRQQT-OAHLLOKOSA-N 1 0 262.353 2.011 10 0 CEAERO C[C@H](NC(=O)[C@@H]1[NH2+]CC1(C)C)c1ccc(F)cc1F ZINC000644016051 373341351 /nfs/dbraw/zinc/34/13/51/373341351.db2.gz CCZZYGUQZKDUQN-UFBFGSQYSA-N 1 0 268.307 2.140 10 0 CEAERO C[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1C[C@@H]1CCC=CO1 ZINC000369330510 373388212 /nfs/dbraw/zinc/38/82/12/373388212.db2.gz MBQBVGCJOPCVNC-KFWWJZLASA-N 1 0 250.386 2.238 10 0 CEAERO COc1ccc(C)cc1[C@H](C)NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000644089458 373400284 /nfs/dbraw/zinc/40/02/84/373400284.db2.gz YFOJDPVNMWIFGU-SMDDNHRTSA-N 1 0 276.380 2.179 10 0 CEAERO CC[C@H](C)c1ccc(S(=O)(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000246582918 189930827 /nfs/dbraw/zinc/93/08/27/189930827.db2.gz ZMJGVNSWCIBQAA-JSGCOSHPSA-N 1 0 296.436 2.312 10 0 CEAERO CN(C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000247114081 189935098 /nfs/dbraw/zinc/93/50/98/189935098.db2.gz LUOIBHWWUROBQE-HZSPNIEDSA-N 1 0 278.783 2.264 10 0 CEAERO CC1(C)C[N@H+](C[C@@H]2CCCCC2(F)F)C[C@@H](CO)O1 ZINC000381686060 375177651 /nfs/dbraw/zinc/17/76/51/375177651.db2.gz MWSYGMKIKHLVHI-RYUDHWBXSA-N 1 0 277.355 2.284 10 0 CEAERO Cc1nc2ccccc2nc1N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000382453235 375186028 /nfs/dbraw/zinc/18/60/28/375186028.db2.gz HEFUIISJWBFTIZ-NEPJUHHUSA-N 1 0 256.353 2.478 10 0 CEAERO C[C@@H](CCC(C)(C)C)NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000386208745 375254763 /nfs/dbraw/zinc/25/47/63/375254763.db2.gz GPVZGBSXURBVRU-ZDUSSCGKSA-N 1 0 283.460 2.001 10 0 CEAERO C[C@H](CNC(=O)[C@@]1(C)CCC[NH2+]1)COCc1ccccc1 ZINC000390242272 375310506 /nfs/dbraw/zinc/31/05/06/375310506.db2.gz IBRIZOMSCVKSBE-RHSMWYFYSA-N 1 0 290.407 2.098 10 0 CEAERO CCCC1(CNC(=O)C[C@H]2CCC[NH2+]C2)CCC1 ZINC000391961732 375319355 /nfs/dbraw/zinc/31/93/55/375319355.db2.gz KLMFGWDXBCVDNQ-CYBMUJFWSA-N 1 0 252.402 2.463 10 0 CEAERO Cc1scc(CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])c1C ZINC000399810251 375369928 /nfs/dbraw/zinc/36/99/28/375369928.db2.gz HEPSVUMSMUDCBD-YPMHNXCESA-N 1 0 266.410 2.356 10 0 CEAERO C[C@H]1CC[C@H](CCN2C(=O)c3ccccc3C2=O)[NH2+]C1 ZINC000306801921 376556172 /nfs/dbraw/zinc/55/61/72/376556172.db2.gz SFCPUUQKAZMMAM-NWDGAFQWSA-N 1 0 272.348 2.061 10 0 CEAERO O=C1c2ccccc2C(=O)N1[C@@H]1C[NH2+]C[C@@H]1c1ccccc1 ZINC000307295287 376561987 /nfs/dbraw/zinc/56/19/87/376561987.db2.gz OWSQJDPHNODJPC-HZPDHXFCSA-N 1 0 292.338 2.038 10 0 CEAERO CO[C@@H]1C[C@@H](CO)[N@H+](C[C@@H](C)C2CCCCC2)C1 ZINC000310835052 376639162 /nfs/dbraw/zinc/63/91/62/376639162.db2.gz JQGPZKBSVCJYLL-VHDGCEQUSA-N 1 0 255.402 2.284 10 0 CEAERO C[C@](O)(C[N@@H+]1CCCOC(C)(C)C1)c1ccccc1 ZINC000312036865 376700925 /nfs/dbraw/zinc/70/09/25/376700925.db2.gz PEQOWHOTLRHQLZ-INIZCTEOSA-N 1 0 263.381 2.395 10 0 CEAERO CCc1nn(C)cc1C[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000684931888 542092519 /nfs/dbraw/zinc/09/25/19/542092519.db2.gz ZWMKFRDFYRBFQD-CLLJXQQHSA-N 1 0 265.401 2.276 10 0 CEAERO COC(=O)c1cnc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2CO)s1 ZINC000314603608 376779218 /nfs/dbraw/zinc/77/92/18/376779218.db2.gz DEQOHJIDWLGSBM-HBNTYKKESA-N 1 0 298.408 2.131 10 0 CEAERO CC[C@](C)(C[N@@H+]1C[C@@H]2CCCCN2C[C@H]1C)OC ZINC000323261405 376834584 /nfs/dbraw/zinc/83/45/84/376834584.db2.gz WVLOUHADPUXPIA-QLFBSQMISA-N 1 0 254.418 2.360 10 0 CEAERO C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@H](O)C(C)(C)C ZINC000293662739 377684326 /nfs/dbraw/zinc/68/43/26/377684326.db2.gz PSMPRHZJVIRXAZ-FZMZJTMJSA-N 1 0 251.370 2.320 10 0 CEAERO C[C@@H](C[NH2+][C@H]1CCn2ccnc21)N(C)C(=O)OC(C)(C)C ZINC000293878126 377801904 /nfs/dbraw/zinc/80/19/04/377801904.db2.gz FIZDZBLIYAXYSS-RYUDHWBXSA-N 1 0 294.399 2.173 10 0 CEAERO CCCCOC[C@H](O)C[NH2+][C@H]1CCC[C@H]1SCC ZINC000300659021 379179563 /nfs/dbraw/zinc/17/95/63/379179563.db2.gz LYGVAJTYMYAWNM-HZSPNIEDSA-N 1 0 275.458 2.428 10 0 CEAERO CCc1nnc(N2CC[NH+](CCC(C)C)CC2)nc1CC ZINC000302744559 379442908 /nfs/dbraw/zinc/44/29/08/379442908.db2.gz RROTUBBPQXMWNT-UHFFFAOYSA-N 1 0 291.443 2.165 10 0 CEAERO C[C@@H](NC(=O)[C@H]1CC[NH2+]1)c1ccc2c(c1)CCCC2 ZINC000334579263 206748938 /nfs/dbraw/zinc/74/89/38/206748938.db2.gz YIHZWVPFTXRZJP-IAQYHMDHSA-N 1 0 258.365 2.105 10 0 CEAERO CCc1ccc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCCO2)cc1 ZINC000183139177 542287384 /nfs/dbraw/zinc/28/73/84/542287384.db2.gz CALSIOUJIGCCDI-WFASDCNBSA-N 1 0 276.380 2.345 10 0 CEAERO C[C@@H]1CN(C(=O)N2CCSC(C)(C)CC2)C[C@@]1(C)C[NH3+] ZINC000334941282 207329153 /nfs/dbraw/zinc/32/91/53/207329153.db2.gz SSXILMANTBHHKD-IUODEOHRSA-N 1 0 299.484 2.241 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)N(C)CCC[NH+](C)C)o1 ZINC000185250091 542303584 /nfs/dbraw/zinc/30/35/84/542303584.db2.gz HBUSCAFUKYDFKT-GFCCVEGCSA-N 1 0 267.373 2.242 10 0 CEAERO c1cn(C[C@H]2CCC[N@@H+]2Cc2ccc3c[nH]nc3c2)cn1 ZINC000188398515 542321149 /nfs/dbraw/zinc/32/11/49/542321149.db2.gz RXVLMBGZMNLDFS-OAHLLOKOSA-N 1 0 281.363 2.424 10 0 CEAERO Cc1ccc(C)c(OC[C@@H](O)C[NH2+][C@@H](C)C2CC2)c1 ZINC000037889460 184542667 /nfs/dbraw/zinc/54/26/67/184542667.db2.gz XWQQKNWLIUFTEL-ZFWWWQNUSA-N 1 0 263.381 2.431 10 0 CEAERO CC[NH2+]Cc1sc(N2CCCO[C@H](C)C2)nc1C ZINC000061936989 184567987 /nfs/dbraw/zinc/56/79/87/184567987.db2.gz MFGPXMDCSPOGEW-SNVBAGLBSA-N 1 0 269.414 2.176 10 0 CEAERO C[C@H](OC1(C[NH3+])CCC(C)CC1)C(=O)NCc1ccco1 ZINC000086711535 184610518 /nfs/dbraw/zinc/61/05/18/184610518.db2.gz TYAJXBOYGDGQFF-UYJPIKCFSA-N 1 0 294.395 2.209 10 0 CEAERO CC(C)[NH2+]Cc1csc(S(=O)(=O)N2CCCC2)c1 ZINC000088905190 184613979 /nfs/dbraw/zinc/61/39/79/184613979.db2.gz RPSUWJBBDVYLKN-UHFFFAOYSA-N 1 0 288.438 2.031 10 0 CEAERO C[C@H]1CCC[C@H](C)N1S(=O)(=O)CCCC[NH2+]C1CC1 ZINC000088926360 184614456 /nfs/dbraw/zinc/61/44/56/184614456.db2.gz JHXOQLJCHIDDPI-STQMWFEESA-N 1 0 288.457 2.111 10 0 CEAERO CCC[NH+]1CCC(O)([C@H](C)C(=O)OC(C)(C)C)CC1 ZINC000090816414 184617782 /nfs/dbraw/zinc/61/77/82/184617782.db2.gz JGTGUEMBTKSWJB-GFCCVEGCSA-N 1 0 271.401 2.201 10 0 CEAERO CC(C)[NH2+][C@](C)(C[C@H](C)OCC1CCCC1)C(N)=O ZINC000090810867 184617898 /nfs/dbraw/zinc/61/78/98/184617898.db2.gz JRFHMCUVYSUTKP-SWLSCSKDSA-N 1 0 270.417 2.214 10 0 CEAERO CCN(CC[C@H](CO)[NH2+]C(C)C)c1ccccc1 ZINC000085239257 184607388 /nfs/dbraw/zinc/60/73/88/184607388.db2.gz DODRWKNSQOKGOW-CQSZACIVSA-N 1 0 250.386 2.262 10 0 CEAERO COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CN3CCC1CC3)CC2 ZINC000092835402 184630375 /nfs/dbraw/zinc/63/03/75/184630375.db2.gz DGAGBHDXMISAJG-IRXDYDNUSA-N 1 0 272.392 2.366 10 0 CEAERO COc1ccc2c(c1)[C@@]([NH3+])(Cc1ccncc1)CC2 ZINC000092858166 184632556 /nfs/dbraw/zinc/63/25/56/184632556.db2.gz NPKCFTSIFALWLD-INIZCTEOSA-N 1 0 254.333 2.433 10 0 CEAERO O=C(CC[NH2+]C[C@H]1CCCc2ccccc21)NC1CC1 ZINC000092987841 184641114 /nfs/dbraw/zinc/64/11/14/184641114.db2.gz YKDXKJDRUGRZKI-CQSZACIVSA-N 1 0 272.392 2.365 10 0 CEAERO CC[C@@H]([NH3+])[C@@]1(CC(=O)OC)CCc2ccc(OC)cc21 ZINC000092861625 184632947 /nfs/dbraw/zinc/63/29/47/184632947.db2.gz OWQNFGHORFPQGS-GDBMZVCRSA-N 1 0 277.364 2.180 10 0 CEAERO COCc1nc(C[NH2+][C@@H]2CCS[C@@H]2C)cs1 ZINC000381586071 542354931 /nfs/dbraw/zinc/35/49/31/542354931.db2.gz HOMNFYNSALAPSN-PSASIEDQSA-N 1 0 258.412 2.273 10 0 CEAERO CS(=O)(=O)CCCC1(c2ccc(Cl)cc2)C[NH2+]C1 ZINC000093196131 184654647 /nfs/dbraw/zinc/65/46/47/184654647.db2.gz CYFPCDXNTVYJGX-UHFFFAOYSA-N 1 0 287.812 2.006 10 0 CEAERO CCCCc1nc(C)c(C[NH2+]CCOC)c(C)n1 ZINC000093080200 184647049 /nfs/dbraw/zinc/64/70/49/184647049.db2.gz MJTGMLIBEVFFAU-UHFFFAOYSA-N 1 0 251.374 2.172 10 0 CEAERO Cc1ccc(C2C(=O)N=C([C@H]([NH3+])C(C)C)NC2=O)cc1 ZINC000093146134 184651599 /nfs/dbraw/zinc/65/15/99/184651599.db2.gz WHQWHTIXPQBEQP-GFCCVEGCSA-N 1 0 273.336 2.107 10 0 CEAERO CC(C)[C@H](C[NH3+])C(=O)N(C)[C@@H](C)Cc1cccs1 ZINC000093289239 184660868 /nfs/dbraw/zinc/66/08/68/184660868.db2.gz IEQNICTWHXXWBW-AAEUAGOBSA-N 1 0 268.426 2.368 10 0 CEAERO COC(=O)c1ccc(Cl)c(N[C@H]2CC[C@H]([NH3+])C2)c1 ZINC000093206639 184655990 /nfs/dbraw/zinc/65/59/90/184655990.db2.gz WVJGBQSWUJRKPE-UWVGGRQHSA-N 1 0 268.744 2.418 10 0 CEAERO COc1ccc([C@@H]2CNC(=[NH2+])N2C(C)C)cc1OC(F)F ZINC000093374366 184668334 /nfs/dbraw/zinc/66/83/34/184668334.db2.gz ZOLCOEIPNMYOGM-JTQLQIEISA-N 1 0 299.321 2.376 10 0 CEAERO COc1ccc(N2C(=[NH2+])NC[C@]23CCCSC3)cc1 ZINC000093376559 184668457 /nfs/dbraw/zinc/66/84/57/184668457.db2.gz CMBVELOKKIPGLE-AWEZNQCLSA-N 1 0 277.393 2.096 10 0 CEAERO COc1cccc(N2C(N)=[NH+]C[C@@]23CCC[C@@H]3C)c1 ZINC000093388050 184669426 /nfs/dbraw/zinc/66/94/26/184669426.db2.gz MSHVBWCNSFIMHY-XHDPSFHLSA-N 1 0 259.353 2.389 10 0 CEAERO COc1ccccc1[C@@H]1CNC(=[NH2+])N1C1CCCC1 ZINC000093391490 184670733 /nfs/dbraw/zinc/67/07/33/184670733.db2.gz KEBFMZJJAJNQCN-ZDUSSCGKSA-N 1 0 259.353 2.309 10 0 CEAERO CN(C)c1ccc(NC(=O)C2CCC(C[NH3+])CC2)cc1 ZINC000093424889 184673245 /nfs/dbraw/zinc/67/32/45/184673245.db2.gz FBZAGOLKEXSULK-UHFFFAOYSA-N 1 0 275.396 2.456 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)N(C(C)C)C(C)C ZINC000175337518 285273501 /nfs/dbraw/zinc/27/35/01/285273501.db2.gz CLGFLZPEFYWAED-HNNXBMFYSA-N 1 0 283.460 2.048 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)c1ncnc(Cl)c1NC ZINC000125029504 285275745 /nfs/dbraw/zinc/27/57/45/285275745.db2.gz LWMYZTRWCMCBDW-JTQLQIEISA-N 1 0 283.807 2.092 10 0 CEAERO C[NH2+][C@@H]1CCCC[C@H]1S(=O)(=O)c1cccs1 ZINC000081926663 177899637 /nfs/dbraw/zinc/89/96/37/177899637.db2.gz QWRLUYLYNBYNIM-NXEZZACHSA-N 1 0 259.396 2.052 10 0 CEAERO C[C@@H]([NH3+])CCCS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000081946506 177908067 /nfs/dbraw/zinc/90/80/67/177908067.db2.gz LYRMOKORMBKXKA-MRVPVSSYSA-N 1 0 279.764 2.380 10 0 CEAERO CC[NH2+][C@@H](CC)[C@@H](C)S(=O)(=O)c1cccc(OC)c1 ZINC000081923511 177897452 /nfs/dbraw/zinc/89/74/52/177897452.db2.gz NMPCBJIANFMDAF-RISCZKNCSA-N 1 0 285.409 2.246 10 0 CEAERO C[NH2+][C@H](CS(=O)(=O)c1ccc(C)cc1)C(C)(C)C ZINC000081920768 177894499 /nfs/dbraw/zinc/89/44/99/177894499.db2.gz JLBGDNIJYSMQCC-CYBMUJFWSA-N 1 0 269.410 2.403 10 0 CEAERO C[NH2+][C@H](CSc1nnc(C)n1C)c1ccccc1C ZINC000081886083 177877259 /nfs/dbraw/zinc/87/72/59/177877259.db2.gz AFVGFDDALWPUQZ-CYBMUJFWSA-N 1 0 276.409 2.485 10 0 CEAERO COCCS[C@H](C)[C@@H]([NH3+])c1ccc(OC)cc1 ZINC000081779700 177859312 /nfs/dbraw/zinc/85/93/12/177859312.db2.gz XXFXBCBEKFKHMF-ZWNOBZJWSA-N 1 0 255.383 2.463 10 0 CEAERO CCC[NH2+][C@@H](CSc1nncn1C)C(C)(C)C ZINC000081867090 177867273 /nfs/dbraw/zinc/86/72/73/177867273.db2.gz QYSZLIMBFQMHQZ-JTQLQIEISA-N 1 0 256.419 2.322 10 0 CEAERO [NH3+][C@@H]1CCC2(C[C@@H]1Sc1cccs1)OCCO2 ZINC000081823283 177865248 /nfs/dbraw/zinc/86/52/48/177865248.db2.gz SMZQGJORBXILTH-ZJUUUORDSA-N 1 0 271.407 2.463 10 0 CEAERO c1ccc2c(c1)CCC[C@@H]2c1noc(CC2C[NH2+]C2)n1 ZINC000081767737 177855323 /nfs/dbraw/zinc/85/53/23/177855323.db2.gz JMTUYKZXQMQZMD-AWEZNQCLSA-N 1 0 269.348 2.300 10 0 CEAERO CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)CC1C[NH2+]C1 ZINC000081747200 177852595 /nfs/dbraw/zinc/85/25/95/177852595.db2.gz DHFDXFLCTUZVCP-OLZOCXBDSA-N 1 0 252.402 2.317 10 0 CEAERO CCCN(c1nccc(C(F)(F)F)n1)[C@@H]1CCC[NH2+]C1 ZINC000081587082 177825470 /nfs/dbraw/zinc/82/54/70/177825470.db2.gz WWCSCVOBTRBXSR-SNVBAGLBSA-N 1 0 288.317 2.464 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCCC[C@@H]2C)C1 ZINC000194173641 270293145 /nfs/dbraw/zinc/29/31/45/270293145.db2.gz BCPYWOPESYIXPN-STQMWFEESA-N 1 0 253.390 2.055 10 0 CEAERO COCCN(Cc1ccccc1)C(=O)[C@H]1CCCCC[NH2+]1 ZINC000080995771 177751000 /nfs/dbraw/zinc/75/10/00/177751000.db2.gz XTDVUNIOCYLZST-MRXNPFEDSA-N 1 0 290.407 2.194 10 0 CEAERO C[C@H]1C[N@H+](C)C[C@]1(O)c1ccc(Br)cc1 ZINC000521401982 256845423 /nfs/dbraw/zinc/84/54/23/256845423.db2.gz UPXSLLBSSCNPTI-JOYOIKCWSA-N 1 0 270.170 2.218 10 0 CEAERO CC[C@](C)(C[NH3+])NC(=O)c1cccc(OC(F)F)c1 ZINC000080885142 177723089 /nfs/dbraw/zinc/72/30/89/177723089.db2.gz PVWDLELDYIUBRN-CYBMUJFWSA-N 1 0 272.295 2.145 10 0 CEAERO C[C@@H]1CCC[C@]([NH3+])(C(=O)NCCc2ccc(F)cc2)C1 ZINC000080903815 177725686 /nfs/dbraw/zinc/72/56/86/177725686.db2.gz ISDFNGYEPJVMQS-MLGOLLRUSA-N 1 0 278.371 2.392 10 0 CEAERO CCCn1ccnc(OCC2([NH3+])CCCCCC2)c1=O ZINC000080901771 177725745 /nfs/dbraw/zinc/72/57/45/177725745.db2.gz HOMNVOPMUPGQRO-UHFFFAOYSA-N 1 0 279.384 2.084 10 0 CEAERO CC(C)[C@H](C)NC(=O)COCC1([NH3+])CCCCCC1 ZINC000080900185 177724708 /nfs/dbraw/zinc/72/47/08/177724708.db2.gz UTYAWJFGWIWDTM-ZDUSSCGKSA-N 1 0 270.417 2.215 10 0 CEAERO CC(C)[N@H+](CCOc1ccccc1)CC(N)=S ZINC000080223804 177628770 /nfs/dbraw/zinc/62/87/70/177628770.db2.gz PVXNJGUTEGIIMT-UHFFFAOYSA-N 1 0 252.383 2.062 10 0 CEAERO CC(C)(C)c1cccc(O[C@@H]2CC[C@@]([NH3+])(C(N)=O)C2)c1 ZINC000093846743 184732146 /nfs/dbraw/zinc/73/21/46/184732146.db2.gz GWKMHKBNEHJMAZ-CJNGLKHVSA-N 1 0 276.380 2.098 10 0 CEAERO C[NH2+][C@]1(C(N)=O)CC[C@H](Sc2ccc(F)c(F)c2)C1 ZINC000093848845 184732513 /nfs/dbraw/zinc/73/25/13/184732513.db2.gz OTUBDLBQSXHFKT-TVQRCGJNSA-N 1 0 286.347 2.053 10 0 CEAERO CCC[NH2+][C@@H](COC(C)C)[C@](C)(CC)N1CCOCC1 ZINC000093550226 184689026 /nfs/dbraw/zinc/68/90/26/184689026.db2.gz FOUTWBHQNVSZDU-HOTGVXAUSA-N 1 0 286.460 2.281 10 0 CEAERO C[NH2+][C@@]1(CO)CCC[C@H]1CCN1CCc2ccccc21 ZINC000093615889 184695839 /nfs/dbraw/zinc/69/58/39/184695839.db2.gz PBIYBZXLZMDWDL-DOTOQJQBSA-N 1 0 274.408 2.190 10 0 CEAERO C[NH2+][C@@]1(CO)CCC[C@H]1CCn1ncc2ccccc21 ZINC000093618524 184696505 /nfs/dbraw/zinc/69/65/05/184696505.db2.gz GVNUYBXYTUOOJL-GOEBONIOSA-N 1 0 273.380 2.177 10 0 CEAERO CCC[NH2+][C@]1(CO)CCC[C@@H]1CCn1nc(C)cc1C ZINC000093618697 184696742 /nfs/dbraw/zinc/69/67/42/184696742.db2.gz QVLNDFLNXYFACY-CVEARBPZSA-N 1 0 279.428 2.421 10 0 CEAERO C[NH2+][C@]1(CO)CCC[C@H]1CCOc1cc(F)ccc1F ZINC000093619435 184697323 /nfs/dbraw/zinc/69/73/23/184697323.db2.gz GDMTXNRQRFOPEZ-NHYWBVRUSA-N 1 0 285.334 2.484 10 0 CEAERO CCC[NH2+][C@@]1(CO)CCC[C@H]1CCOCC1CC1 ZINC000093620656 184697434 /nfs/dbraw/zinc/69/74/34/184697434.db2.gz BVLLLLOQKMDAHD-LSDHHAIUSA-N 1 0 255.402 2.334 10 0 CEAERO C[NH2+][C@@]1(C(N)=O)CCC[C@@H]1CCOc1ccc(C)cc1C ZINC000093623818 184697552 /nfs/dbraw/zinc/69/75/52/184697552.db2.gz OOTSLLSLJKKDBK-PBHICJAKSA-N 1 0 290.407 2.316 10 0 CEAERO CCCCS(=O)(=O)CC[C@H]1CCC[C@@H]1[NH2+]CC ZINC000093623612 184697583 /nfs/dbraw/zinc/69/75/83/184697583.db2.gz BWXDERMAENQMKD-OLZOCXBDSA-N 1 0 261.431 2.370 10 0 CEAERO C[NH2+][C@@]1(C(N)=O)CCC[C@H]1CCOc1cccc(C)c1C ZINC000093624389 184697909 /nfs/dbraw/zinc/69/79/09/184697909.db2.gz HHHXEIHAPILPJG-YOEHRIQHSA-N 1 0 290.407 2.316 10 0 CEAERO C[NH2+][C@]1(C(N)=O)CCC[C@@H]1CCOc1ccc(C)c(C)c1 ZINC000093624832 184698236 /nfs/dbraw/zinc/69/82/36/184698236.db2.gz PWKSCMNBWSZYKD-RHSMWYFYSA-N 1 0 290.407 2.316 10 0 CEAERO COCCc1ccc(OCC[C@H]2CCC[C@]2(O)C[NH3+])cc1 ZINC000093628194 184698616 /nfs/dbraw/zinc/69/86/16/184698616.db2.gz GBPDENJGMYXSPV-WBVHZDCISA-N 1 0 293.407 2.134 10 0 CEAERO c1ccc2c(c1)C[C@H]2c1noc(CC2CC[NH2+]CC2)n1 ZINC000093679571 184705290 /nfs/dbraw/zinc/70/52/90/184705290.db2.gz DKZYMTWEWLIXBH-CQSZACIVSA-N 1 0 269.348 2.300 10 0 CEAERO Cn1c(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)nc2cccnc21 ZINC000093678482 184705328 /nfs/dbraw/zinc/70/53/28/184705328.db2.gz PUGYVTOEUIYIQG-YOGCLGLASA-N 1 0 256.353 2.041 10 0 CEAERO CCOC(=O)CC[C@H]([NH3+])Cc1cc(C)n(CC)c1C ZINC000093693759 184707674 /nfs/dbraw/zinc/70/76/74/184707674.db2.gz TZJRFXBAGMEWGX-AWEZNQCLSA-N 1 0 266.385 2.338 10 0 CEAERO COC(=O)C(C)(C)COc1ccc([C@H](C)[NH3+])cc1 ZINC000093714118 184708605 /nfs/dbraw/zinc/70/86/05/184708605.db2.gz KCBWSXSQSROKSA-JTQLQIEISA-N 1 0 251.326 2.284 10 0 CEAERO COC(=O)C(C)(C)COc1ccc(C)cc1C[C@H](C)[NH3+] ZINC000093719025 184709108 /nfs/dbraw/zinc/70/91/08/184709108.db2.gz XSWJAGTZMSMAGT-LBPRGKRZSA-N 1 0 279.380 2.463 10 0 CEAERO COC(=O)C(C)(C)Cn1ccc(C[NH2+]C(C)C)c1 ZINC000093718761 184709239 /nfs/dbraw/zinc/70/92/39/184709239.db2.gz UWOZDGOHYXFWTM-UHFFFAOYSA-N 1 0 252.358 2.185 10 0 CEAERO COC(=O)C(C)(C)Cn1ccc([C@H]([NH3+])C2CC2)c1 ZINC000093718846 184709480 /nfs/dbraw/zinc/70/94/80/184709480.db2.gz PPZBPONELUDWMF-GFCCVEGCSA-N 1 0 250.342 2.097 10 0 CEAERO CCCN(CC(F)(F)F)[C@@H]1CCC[C@@](CO)([NH2+]C)C1 ZINC000093782861 184721831 /nfs/dbraw/zinc/72/18/31/184721831.db2.gz MYMZRYLNAGXRKS-VXGBXAGGSA-N 1 0 282.350 2.154 10 0 CEAERO CC[NH2+][C@]1(CO)CCC[C@H](Oc2ccc(OC)cc2)C1 ZINC000093785653 184721971 /nfs/dbraw/zinc/72/19/71/184721971.db2.gz NLXCUWYYJDBYIG-JKSUJKDBSA-N 1 0 279.380 2.357 10 0 CEAERO CCOc1cccc(O[C@H]2CCC[C@@](CO)([NH2+]C)C2)c1 ZINC000093784430 184721976 /nfs/dbraw/zinc/72/19/76/184721976.db2.gz XHKXIHSNBQENNJ-JKSUJKDBSA-N 1 0 279.380 2.357 10 0 CEAERO CC[NH2+][C@]1(CO)CCC[C@@H](Sc2nnc(C)s2)C1 ZINC000093786891 184722268 /nfs/dbraw/zinc/72/22/68/184722268.db2.gz QCZHWWZJFOTPQJ-ZYHUDNBSSA-N 1 0 287.454 2.222 10 0 CEAERO CC[NH2+][C@H](Cc1cccc(F)c1F)[C@@H]1CN(CC)CCO1 ZINC000093914490 184741277 /nfs/dbraw/zinc/74/12/77/184741277.db2.gz SPVNUPPYHHTKFW-CABCVRRESA-N 1 0 298.377 2.206 10 0 CEAERO C[NH2+][C@H](CCc1ccsc1)[C@H]1CN(C(C)C)CCO1 ZINC000093926901 184744619 /nfs/dbraw/zinc/74/46/19/184744619.db2.gz VTCNVXTUCQVMTN-HUUCEWRRSA-N 1 0 282.453 2.378 10 0 CEAERO CC(C)N(CC1CC[NH2+]CC1)C(=O)NC(C)(C)C ZINC000094023646 184750820 /nfs/dbraw/zinc/75/08/20/184750820.db2.gz CRVVDNWWLCPARV-UHFFFAOYSA-N 1 0 255.406 2.205 10 0 CEAERO COc1ccc(C(=O)N[C@]2(C[NH3+])CCC[C@@H](C)C2)cc1O ZINC000094067399 184753415 /nfs/dbraw/zinc/75/34/15/184753415.db2.gz RKGPELWEYQTDGW-BDJLRTHQSA-N 1 0 292.379 2.038 10 0 CEAERO C[NH2+][C@@H]1c2cc(OC)c(OC)c(OC)c2C[C@H]1C ZINC000094064958 184753565 /nfs/dbraw/zinc/75/35/65/184753565.db2.gz GOHCMTXLYXAANE-PELKAZGASA-N 1 0 251.326 2.165 10 0 CEAERO CCn1ccnc1C[C@@H](N)C(CC)(CC)[NH+]1CCCC1 ZINC000094163476 184758531 /nfs/dbraw/zinc/75/85/31/184758531.db2.gz ZDESIPYLSRYOBE-CQSZACIVSA-N 1 0 278.444 2.427 10 0 CEAERO Cc1ccc(C(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)c(F)c1 ZINC000094239547 184768270 /nfs/dbraw/zinc/76/82/70/184768270.db2.gz RXPBLONIFIDKMT-SMDDNHRTSA-N 1 0 264.344 2.156 10 0 CEAERO Cc1cc2nnc([C@H](C)CCC[C@@H](C)[NH3+])n2c(C)n1 ZINC000094258825 184770520 /nfs/dbraw/zinc/77/05/20/184770520.db2.gz PXWCIHMLVMTCEE-NXEZZACHSA-N 1 0 261.373 2.362 10 0 CEAERO Nc1ccc(N[C@@H]2CCc3ccccc3C2)[nH+]c1N ZINC000094260368 184771221 /nfs/dbraw/zinc/77/12/21/184771221.db2.gz HFPYXZGEVOJVCD-GFCCVEGCSA-N 1 0 254.337 2.215 10 0 CEAERO C[NH2+][C@H]1[C@@H](N(C)Cc2cnn(C)c2)CCCC1(C)C ZINC000094274400 184774597 /nfs/dbraw/zinc/77/45/97/184774597.db2.gz MESQYFKRFZIIJS-KBPBESRZSA-N 1 0 264.417 2.019 10 0 CEAERO CCOC(=O)CS[C@H]1CCCC(C)(C)[C@H]1[NH2+]C ZINC000094283106 184775348 /nfs/dbraw/zinc/77/53/48/184775348.db2.gz HCJWLIULSCNIAN-JQWIXIFHSA-N 1 0 259.415 2.449 10 0 CEAERO CC(C)NC(=O)c1cccc(NC(=O)CC2([NH3+])CCC2)c1 ZINC000094293918 184777407 /nfs/dbraw/zinc/77/74/07/184777407.db2.gz AQTSPAGKGXQBFY-UHFFFAOYSA-N 1 0 289.379 2.035 10 0 CEAERO CCc1nn(C)c(C[C@]2(C[NH3+])CCC(C)(C)[C@H]2O)c1Cl ZINC000094315081 184779044 /nfs/dbraw/zinc/77/90/44/184779044.db2.gz GAWBTXLSSQFJKT-HIFRSBDPSA-N 1 0 299.846 2.304 10 0 CEAERO C[C@H](CN1CCCC1)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000094369645 184790159 /nfs/dbraw/zinc/79/01/59/184790159.db2.gz IWCHQBXKUCXAGH-KGLIPLIRSA-N 1 0 252.402 2.162 10 0 CEAERO [NH3+]C1(CO[C@H]2CCOC3(CCOCC3)C2)CCCC1 ZINC000094381098 184791445 /nfs/dbraw/zinc/79/14/45/184791445.db2.gz PDOAHVBWLPBDCA-ZDUSSCGKSA-N 1 0 269.385 2.003 10 0 CEAERO CC(C)([C@H]([NH3+])[C@@H]1CCOC2(CCCC2)C1)N1CCOCC1 ZINC000094406947 184793756 /nfs/dbraw/zinc/79/37/56/184793756.db2.gz KINHXYPKQWCGLU-HUUCEWRRSA-N 1 0 296.455 2.164 10 0 CEAERO COC(C)(C)[C@H]([NH3+])[C@H]1CCOC2(CCSCC2)C1 ZINC000094407643 184793950 /nfs/dbraw/zinc/79/39/50/184793950.db2.gz ARLIUECYVGYMLU-NWDGAFQWSA-N 1 0 273.442 2.431 10 0 CEAERO CCOC(OCC)[C@@H]([NH2+]C)[C@H]1CCOC2(CCC2)C1 ZINC000094408016 184794128 /nfs/dbraw/zinc/79/41/28/184794128.db2.gz RSMLBISPHKJGOG-STQMWFEESA-N 1 0 271.401 2.323 10 0 CEAERO [NH3+][C@@H]([C@@H]1CCOC2(CCCC2)C1)[C@@H]1CCCOC1 ZINC000094405315 184794162 /nfs/dbraw/zinc/79/41/62/184794162.db2.gz FADMHNRYMFANCM-MCIONIFRSA-N 1 0 253.386 2.480 10 0 CEAERO C[C@@](O)(C[NH2+]C1CC1)[C@@H]1CCOC2(CCCC2)C1 ZINC000094418890 184794935 /nfs/dbraw/zinc/79/49/35/184794935.db2.gz NVKVSWLLAUMZBV-TZMCWYRMSA-N 1 0 253.386 2.229 10 0 CEAERO C[NH2+]CC[C@@](C)(O)[C@@H]1CCOC2(CCSCC2)C1 ZINC000094418614 184795061 /nfs/dbraw/zinc/79/50/61/184795061.db2.gz LWDFWMAVMMWMEB-CHWSQXEVSA-N 1 0 273.442 2.039 10 0 CEAERO C[C@H](C1CC1)[N@H+](C)C[C@@H]1C(=O)C(C)(C)OC1(C)C ZINC000094428776 184796640 /nfs/dbraw/zinc/79/66/40/184796640.db2.gz VBMZVEXJOANHMY-ZYHUDNBSSA-N 1 0 253.386 2.489 10 0 CEAERO [NH3+][C@H]1CCCCC[C@H]1C(=O)N(Cc1ccncc1)C1CC1 ZINC000094751227 184853109 /nfs/dbraw/zinc/85/31/09/184853109.db2.gz OUHHOOVZLQZCBH-CVEARBPZSA-N 1 0 287.407 2.480 10 0 CEAERO C[C@]1(c2noc([C@@H]3CCCC[C@@H]3C[NH3+])n2)CCCO1 ZINC000094781322 184862728 /nfs/dbraw/zinc/86/27/28/184862728.db2.gz YXXYKGNHZGIQBY-JTNHKYCSSA-N 1 0 265.357 2.328 10 0 CEAERO CCC[NH2+][C@@H](Cc1cc(CC)nn1C)[C@]1(C)CCCO1 ZINC000094785040 184863329 /nfs/dbraw/zinc/86/33/29/184863329.db2.gz MAQWCQDTIBYUKX-HOTGVXAUSA-N 1 0 279.428 2.462 10 0 CEAERO C[NH2+][C@H](Cc1nc([C@H]2CSCCS2)no1)C(C)C ZINC000094500480 184810853 /nfs/dbraw/zinc/81/08/53/184810853.db2.gz ULWCYGFVVQKUMB-NXEZZACHSA-N 1 0 287.454 2.377 10 0 CEAERO C[C@H]1C[C@H]([NH3+])CN(Cc2ccccc2OC(F)F)C1 ZINC000094547941 184815629 /nfs/dbraw/zinc/81/56/29/184815629.db2.gz IXJKSUUYMHQKLL-JQWIXIFHSA-N 1 0 270.323 2.457 10 0 CEAERO C[C@@H]1C[C@@H]([NH3+])CN(C(=O)[C@@H]2CSc3ccccc32)C1 ZINC000094548892 184816255 /nfs/dbraw/zinc/81/62/55/184816255.db2.gz AZHZMZKLGFKZSK-NQBHXWOUSA-N 1 0 276.405 2.072 10 0 CEAERO Cc1cccc(Cc2noc([C@@H]3CC[C@H](C[NH3+])O3)n2)c1 ZINC000094560927 184818757 /nfs/dbraw/zinc/81/87/57/184818757.db2.gz VYDSPZVYEXFMKE-OLZOCXBDSA-N 1 0 273.336 2.148 10 0 CEAERO [NH3+]C[C@@H]1CC[C@H](C(=O)Nc2cccc(Cl)c2Cl)O1 ZINC000094564847 184818855 /nfs/dbraw/zinc/81/88/55/184818855.db2.gz XDVPYDHZQDHBHK-OIBJUYFYSA-N 1 0 289.162 2.438 10 0 CEAERO [NH3+]C[C@H]1CC[C@H](C(=O)Nc2cccc3ccccc32)O1 ZINC000094562693 184818993 /nfs/dbraw/zinc/81/89/93/184818993.db2.gz TYSBSVBCBKZCBV-IUODEOHRSA-N 1 0 270.332 2.285 10 0 CEAERO CC[NH2+][C@H](C)c1cc(F)ccc1O[C@H](CC)C(N)=O ZINC000094618870 184828085 /nfs/dbraw/zinc/82/80/85/184828085.db2.gz GURKRYJDCMXNEJ-BXKDBHETSA-N 1 0 268.332 2.139 10 0 CEAERO CCC[NH2+][C@@H](CCSc1cccc(F)c1)C(N)=O ZINC000094624087 184829056 /nfs/dbraw/zinc/82/90/56/184829056.db2.gz JTAOZWDPXMMBIV-LBPRGKRZSA-N 1 0 270.373 2.161 10 0 CEAERO COc1ccc(C[C@H]([NH3+])[C@H]2CCCc3cccnc32)cn1 ZINC000094632428 184829658 /nfs/dbraw/zinc/82/96/58/184829658.db2.gz RXMPOFBSYDWUBU-CABCVRRESA-N 1 0 283.375 2.475 10 0 CEAERO COCC[NH2+]Cc1snnc1-c1ccc(C)c(F)c1 ZINC000094841980 184878730 /nfs/dbraw/zinc/87/87/30/184878730.db2.gz NBTDIBDWZAEYFW-UHFFFAOYSA-N 1 0 281.356 2.389 10 0 CEAERO CCC[NH2+][C@H](C1CC1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094641808 184832040 /nfs/dbraw/zinc/83/20/40/184832040.db2.gz FBVPGKVMKNRSGE-HZSPNIEDSA-N 1 0 273.442 2.368 10 0 CEAERO C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)C[C@@H]1C ZINC000094648613 184834290 /nfs/dbraw/zinc/83/42/90/184834290.db2.gz KHQFXJNVICVCDS-XHJNMGKDSA-N 1 0 252.402 2.315 10 0 CEAERO Cc1ccccc1CC(=O)N[C@@H]1CC[C@H](C)[NH2+][C@@H]1C ZINC000094665258 184837307 /nfs/dbraw/zinc/83/73/07/184837307.db2.gz WJNSFFFOPOQTOM-GZBFAFLISA-N 1 0 260.381 2.183 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](c2nc(-c3ccc(Cl)cn3)no2)C1 ZINC000094842314 184879008 /nfs/dbraw/zinc/87/90/08/184879008.db2.gz NXBCXQAKXMQMLK-VXNVDRBHSA-N 1 0 264.716 2.380 10 0 CEAERO COc1ccc(OCc2ccc(O)cc2)c(CC[NH3+])c1 ZINC000094687164 184839748 /nfs/dbraw/zinc/83/97/48/184839748.db2.gz QLLOOKACBMDXFY-UHFFFAOYSA-N 1 0 273.332 2.481 10 0 CEAERO CC(C)C[C@@H](C[NH3+])C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000094698149 184842720 /nfs/dbraw/zinc/84/27/20/184842720.db2.gz UJCATRYAXQXBPJ-WDEREUQCSA-N 1 0 280.334 2.408 10 0 CEAERO C[NH2+][C@@H](Cc1nc(C)c(C)s1)[C@H]1CSCCO1 ZINC000094974697 184909612 /nfs/dbraw/zinc/90/96/12/184909612.db2.gz KQXCYKIGXKNECD-WDEREUQCSA-N 1 0 272.439 2.022 10 0 CEAERO CCC[C@H]1CN(Cc2nc(C)c(C)s2)CC[NH2+]1 ZINC000094979178 184910561 /nfs/dbraw/zinc/91/05/61/184910561.db2.gz FUJYZNCNSLZOPX-LBPRGKRZSA-N 1 0 253.415 2.334 10 0 CEAERO CC[C@H]1CN(Cc2cccnc2OC)[C@H](C2CC2)C[NH2+]1 ZINC000095011430 184915726 /nfs/dbraw/zinc/91/57/26/184915726.db2.gz OCGLCIRSJRNZSO-GJZGRUSLSA-N 1 0 275.396 2.053 10 0 CEAERO [NH3+]CCCN(C(=O)C[C@@H]1CCCCO1)C1CCCCC1 ZINC000095030547 184918022 /nfs/dbraw/zinc/91/80/22/184918022.db2.gz BIJASJFNTJGASV-HNNXBMFYSA-N 1 0 282.428 2.456 10 0 CEAERO CCN(C(=O)C[C@@H]1CCCCO1)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000095032607 184919331 /nfs/dbraw/zinc/91/93/31/184919331.db2.gz SIIMAXQXWLZPBL-ILXRZTDVSA-N 1 0 282.428 2.312 10 0 CEAERO C[C@@H](NC(=O)Cc1ccc(F)c(F)c1)[C@@H]1CCCC[NH2+]1 ZINC000095048492 184924455 /nfs/dbraw/zinc/92/44/55/184924455.db2.gz JGTZVLGDBJFPHV-YGRLFVJLSA-N 1 0 282.334 2.154 10 0 CEAERO Clc1cnc(OCCC[C@@H]2CCCC[NH2+]2)nc1 ZINC000095070061 184931706 /nfs/dbraw/zinc/93/17/06/184931706.db2.gz VLLOSNMGJLQDBU-NSHDSACASA-N 1 0 255.749 2.431 10 0 CEAERO CN(C[C@@H]1CCCC[NH2+]1)c1cccc(Br)n1 ZINC000095070774 184933050 /nfs/dbraw/zinc/93/30/50/184933050.db2.gz NCVXCGJIUKTMJA-JTQLQIEISA-N 1 0 284.201 2.422 10 0 CEAERO O=C(COCCC[C@@H]1CCCC[NH2+]1)c1nccs1 ZINC000095072951 184934190 /nfs/dbraw/zinc/93/41/90/184934190.db2.gz GKKJJXPJIKENAW-NSHDSACASA-N 1 0 268.382 2.265 10 0 CEAERO C[NH2+][C@@H](CCO)[C@@H]1CCCCN1Cc1ccccc1 ZINC000095075704 184935550 /nfs/dbraw/zinc/93/55/50/184935550.db2.gz ABIPJBCGWZQDKB-HOTGVXAUSA-N 1 0 262.397 2.012 10 0 CEAERO Cc1cscc1CNC(=O)C(C)(C)C(C)(C)[NH3+] ZINC000094877288 184886318 /nfs/dbraw/zinc/88/63/18/184886318.db2.gz JNWMPXXBJQTQQK-UHFFFAOYSA-N 1 0 254.399 2.436 10 0 CEAERO CC[C@@H]1CN(CCc2ccc(F)cc2C)CC[NH2+]1 ZINC000094963454 184907320 /nfs/dbraw/zinc/90/73/20/184907320.db2.gz GCPYPYRULMZEDL-OAHLLOKOSA-N 1 0 250.361 2.360 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)c1ccc2c(c1)CCC2 ZINC000282121053 195511281 /nfs/dbraw/zinc/51/12/81/195511281.db2.gz AUFFQLYOZLRMNK-HWWQOWPSSA-N 1 0 272.392 2.493 10 0 CEAERO CCC[C@@H](C(=O)NCCc1ccc(F)c(F)c1)[NH+](C)C ZINC000191675407 130275522 /nfs/dbraw/zinc/27/55/22/130275522.db2.gz NLVUWSZMKBQXAS-AWEZNQCLSA-N 1 0 284.350 2.354 10 0 CEAERO CC(C)c1cnc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)s1 ZINC000192392988 130438579 /nfs/dbraw/zinc/43/85/79/130438579.db2.gz AITQTMKBCONMAZ-SNVBAGLBSA-N 1 0 282.413 2.434 10 0 CEAERO c1nc2n(n1)C[C@@H]([NH2+]CCSCc1ccccc1)CC2 ZINC000192576672 130472615 /nfs/dbraw/zinc/47/26/15/130472615.db2.gz DBEWPDLYRMAGSK-AWEZNQCLSA-N 1 0 288.420 2.116 10 0 CEAERO Cc1ccc(C[NH2+]C[C@@H](C)N2CCOCC2)cc1Cl ZINC000195436448 130743031 /nfs/dbraw/zinc/74/30/31/130743031.db2.gz CDQSYLCAPNDGHY-CYBMUJFWSA-N 1 0 282.815 2.459 10 0 CEAERO CC[C@H](C[NH2+]Cc1cnn(C)c1C)NC(=O)OC(C)(C)C ZINC000227713746 130851943 /nfs/dbraw/zinc/85/19/43/130851943.db2.gz BTIFUJSWGAMLDN-CYBMUJFWSA-N 1 0 296.415 2.121 10 0 CEAERO COc1ccccc1N1CC[C@@H]([NH2+]CCC(C)C)C1=O ZINC000237291182 131021585 /nfs/dbraw/zinc/02/15/85/131021585.db2.gz VWYGIDKKEHYYBG-CYBMUJFWSA-N 1 0 276.380 2.436 10 0 CEAERO C[S@](=O)Cc1cccc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000262283055 131208289 /nfs/dbraw/zinc/20/82/89/131208289.db2.gz LNLWHULMENNDTI-UVARLRKDSA-N 1 0 294.420 2.021 10 0 CEAERO C[NH2+][C@@H](C)CCN1CCN(c2cccc(C)c2C)CC1 ZINC000043819642 134908052 /nfs/dbraw/zinc/90/80/52/134908052.db2.gz LNTPNELRKASICO-HNNXBMFYSA-N 1 0 275.440 2.423 10 0 CEAERO Cc1cc(F)ccc1N1CCC[C@H]([NH2+]C2CC2)C1=O ZINC000071032817 134954697 /nfs/dbraw/zinc/95/46/97/134954697.db2.gz FIZOOWVELPUJCC-ZDUSSCGKSA-N 1 0 262.328 2.382 10 0 CEAERO CC[C@@H]1C[NH2+]CCN1c1ccc(C(F)(F)F)cn1 ZINC000083431693 135021070 /nfs/dbraw/zinc/02/10/70/135021070.db2.gz HDDZITNYCLKKKQ-SNVBAGLBSA-N 1 0 259.275 2.289 10 0 CEAERO Fc1ccc(N2CC[NH2+][C@H](C3CC3)C2)c(F)c1F ZINC000086123407 135039346 /nfs/dbraw/zinc/03/93/46/135039346.db2.gz JCJYBGZZXWEBTD-JTQLQIEISA-N 1 0 256.271 2.292 10 0 CEAERO C[C@H]1CCC[C@@]1(C[NH3+])N1CCN(C)c2ccccc21 ZINC000086677319 135048226 /nfs/dbraw/zinc/04/82/26/135048226.db2.gz DRCJUQAFBFOBEX-BBRMVZONSA-N 1 0 259.397 2.460 10 0 CEAERO CC(C)[C@@H](C[NH3+])CN1CCN(c2ccccc2F)CC1 ZINC000087535432 135050743 /nfs/dbraw/zinc/05/07/43/135050743.db2.gz MMUKHTFMRWWWHG-AWEZNQCLSA-N 1 0 279.403 2.179 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@@H]1C(=O)N1CCOc2ccccc21 ZINC000089395510 135059184 /nfs/dbraw/zinc/05/91/84/135059184.db2.gz HXMCELXWTRQIKU-OLZOCXBDSA-N 1 0 274.364 2.177 10 0 CEAERO C[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1ccco1 ZINC000089733167 135060446 /nfs/dbraw/zinc/06/04/46/135060446.db2.gz KYSIUIVHHLVCOI-STQMWFEESA-N 1 0 272.352 2.389 10 0 CEAERO C[NH2+][C@H]1CCN(C(=O)c2cc(C)nn2C)c2ccccc21 ZINC000090120308 135062386 /nfs/dbraw/zinc/06/23/86/135062386.db2.gz WESJKCGWGGODMP-ZDUSSCGKSA-N 1 0 284.363 2.040 10 0 CEAERO CCOc1cc(N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)nc(C)n1 ZINC000090787863 135065527 /nfs/dbraw/zinc/06/55/27/135065527.db2.gz LUMZEVJQMFUQDY-UONOGXRCSA-N 1 0 290.411 2.295 10 0 CEAERO O=C(C[C@H]1CSCC[NH2+]1)N1CCSc2ccccc21 ZINC000091138370 135067209 /nfs/dbraw/zinc/06/72/09/135067209.db2.gz SVBGSDBWHMMEIR-NSHDSACASA-N 1 0 294.445 2.220 10 0 CEAERO COc1ccccc1N1CC[NH+](CC(C)(C)C(C)=O)CC1 ZINC000091401895 135069013 /nfs/dbraw/zinc/06/90/13/135069013.db2.gz IUZCDUFXSLRZKE-UHFFFAOYSA-N 1 0 290.407 2.432 10 0 CEAERO CC(C)[NH2+]Cc1cncc(N2C[C@H](C)S[C@@H](C)C2)n1 ZINC000091421866 135069869 /nfs/dbraw/zinc/06/98/69/135069869.db2.gz ULMLAGRMAABGRC-RYUDHWBXSA-N 1 0 280.441 2.305 10 0 CEAERO c1ncc(N2CCC[C@@H]3CCC[C@@H]32)nc1C[NH2+]C1CC1 ZINC000091422056 135070013 /nfs/dbraw/zinc/07/00/13/135070013.db2.gz PGOIEZIQKNXQSC-WFASDCNBSA-N 1 0 272.396 2.498 10 0 CEAERO CSC1(C[NH3+])CCN(c2nncc3ccccc32)CC1 ZINC000091474068 135070681 /nfs/dbraw/zinc/07/06/81/135070681.db2.gz LCAZHXVFAISAII-UHFFFAOYSA-N 1 0 288.420 2.291 10 0 CEAERO CCc1nc(N2CCCCC2)nc(CC)c1CC[NH2+]C ZINC000092318454 135076379 /nfs/dbraw/zinc/07/63/79/135076379.db2.gz AOAVLGGJCJRSIS-UHFFFAOYSA-N 1 0 276.428 2.354 10 0 CEAERO Cc1cccc(N2CCN(C[C@H]3CC[NH2+][C@H]3C)CC2)c1C ZINC000092957719 135077416 /nfs/dbraw/zinc/07/74/16/135077416.db2.gz TYMHCPRIEAWBAK-DLBZAZTESA-N 1 0 287.451 2.423 10 0 CEAERO CCC[C@H](C[NH3+])[C@@H](O)c1ccc2c(c1)CCCN2C ZINC000093083328 135079713 /nfs/dbraw/zinc/07/97/13/135079713.db2.gz MHAVYXUALRPNDA-ZBFHGGJFSA-N 1 0 262.397 2.477 10 0 CEAERO Cc1cccc(N2CC[NH+]([C@H]3CC[C@@H](O)C3)CC2)c1C ZINC000093798452 135082808 /nfs/dbraw/zinc/08/28/08/135082808.db2.gz FANYMYKBKNANFU-JKSUJKDBSA-N 1 0 274.408 2.339 10 0 CEAERO Cc1cc(N2CCO[C@H](C(N)=S)C2)c2ccccc2[nH+]1 ZINC000093934981 135082812 /nfs/dbraw/zinc/08/28/12/135082812.db2.gz IOGYWCCSDVXQAJ-AWEZNQCLSA-N 1 0 287.388 2.035 10 0 CEAERO CC[C@@](C)([NH3+])C(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000094231625 135084254 /nfs/dbraw/zinc/08/42/54/135084254.db2.gz OOFCXSKHBDIZNW-OAHLLOKOSA-N 1 0 295.814 2.116 10 0 CEAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ccnc(Cl)n1 ZINC000094442793 135088917 /nfs/dbraw/zinc/08/89/17/135088917.db2.gz XVYKVVRYRUFHRQ-WDEREUQCSA-N 1 0 266.776 2.193 10 0 CEAERO Cc1ccc2ncc(N3CC[NH2+][C@@H](C(C)C)C3)nc2c1 ZINC000217795978 394456045 /nfs/dbraw/zinc/45/60/45/394456045.db2.gz KZLALTSPLCKACF-OAHLLOKOSA-N 1 0 270.380 2.372 10 0 CEAERO CC[C@H](C)C[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000246273631 394512973 /nfs/dbraw/zinc/51/29/73/394512973.db2.gz SDTIAOCIBCHIKJ-KBPBESRZSA-N 1 0 262.401 2.423 10 0 CEAERO Cc1csc2c1ncnc2N1CCC[C@@H](C[NH3+])C1 ZINC000222266104 394462596 /nfs/dbraw/zinc/46/25/96/394462596.db2.gz BBMXHAPHUDWMEX-JTQLQIEISA-N 1 0 262.382 2.175 10 0 CEAERO Cc1cccc(N2CCc3ccccc3[C@H]2C[NH3+])n1 ZINC000227724351 394473577 /nfs/dbraw/zinc/47/35/77/394473577.db2.gz XXWVGZZUPJZZBT-OAHLLOKOSA-N 1 0 253.349 2.453 10 0 CEAERO Cc1nc(N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)sc1C ZINC000252840723 394574609 /nfs/dbraw/zinc/57/46/09/394574609.db2.gz BTPLUEPXJAYNOV-SRVKXCTJSA-N 1 0 251.399 2.324 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000306781121 394518107 /nfs/dbraw/zinc/51/81/07/394518107.db2.gz BRFQDCKPXLUITL-CQSZACIVSA-N 1 0 262.353 2.349 10 0 CEAERO CC(C)([NH3+])CNc1ccc(I)cc1 ZINC000306815504 394518813 /nfs/dbraw/zinc/51/88/13/394518813.db2.gz CCYLPKSZYYRVPK-UHFFFAOYSA-N 1 0 290.148 2.440 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CC[C@H](C)[C@H]2C)C1 ZINC000246729034 394520788 /nfs/dbraw/zinc/52/07/88/394520788.db2.gz ALQGFDPVYOBAIL-DGAVXFQQSA-N 1 0 267.417 2.155 10 0 CEAERO CCCCOC[C@H](O)C[NH+]1CCC(C(F)F)CC1 ZINC000307855396 394523885 /nfs/dbraw/zinc/52/38/85/394523885.db2.gz MFJGCSJXPVJCBY-GFCCVEGCSA-N 1 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/nfs/dbraw/zinc/55/41/66/394554166.db2.gz XSOBLGOAVJVHBB-AWEZNQCLSA-N 1 0 275.396 2.322 10 0 CEAERO C[C@H]1CN(Cc2ccc(Br)s2)C[C@H]1[NH3+] ZINC000261529467 394601763 /nfs/dbraw/zinc/60/17/63/394601763.db2.gz SLSUCLXRBUXXBW-IONNQARKSA-N 1 0 275.215 2.290 10 0 CEAERO C[C@@H]1CCCN(c2cncc(Br)c2)[C@@H]1C[NH3+] ZINC000261563780 394602726 /nfs/dbraw/zinc/60/27/26/394602726.db2.gz BZRXEYREUXOGHB-BXKDBHETSA-N 1 0 284.201 2.408 10 0 CEAERO C[NH2+][C@H](C)Cc1noc(-c2cnn(C(C)(C)C)c2C)n1 ZINC000261618860 394604249 /nfs/dbraw/zinc/60/42/49/394604249.db2.gz BOEBXEAWTOWVMJ-SECBINFHSA-N 1 0 277.372 2.147 10 0 CEAERO Cc1cc(NC[C@H]2[NH2+]CCc3ccccc32)ncn1 ZINC000261635276 394605028 /nfs/dbraw/zinc/60/50/28/394605028.db2.gz WKJYHPMRDCSKSE-CQSZACIVSA-N 1 0 254.337 2.084 10 0 CEAERO [NH3+]C[C@@H]1CCCN(c2nc3ccccc3nc2Cl)C1 ZINC000095072506 394672173 /nfs/dbraw/zinc/67/21/73/394672173.db2.gz BDFOTDPUGAXOHS-JTQLQIEISA-N 1 0 276.771 2.458 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCOc3ccccc32)C1 ZINC000117786607 394759358 /nfs/dbraw/zinc/75/93/58/394759358.db2.gz CTALCTGTNVFFTB-UONOGXRCSA-N 1 0 288.391 2.105 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCc2ccsc2C1 ZINC000335439361 394766159 /nfs/dbraw/zinc/76/61/59/394766159.db2.gz MABKFYDWNZBJCN-JOYOIKCWSA-N 1 0 252.383 2.006 10 0 CEAERO CCC[N@H+](C[C@H](O)COC(C)(C)C)C[C@H]1CCCCO1 ZINC000120870007 394787102 /nfs/dbraw/zinc/78/71/02/394787102.db2.gz MLOKLZHEPNEGTO-LSDHHAIUSA-N 1 0 287.444 2.444 10 0 CEAERO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)CN1C1CC1 ZINC000341471985 395002407 /nfs/dbraw/zinc/00/24/07/395002407.db2.gz USDHVFJKAZEVEW-UXXRCYHCSA-N 1 0 266.429 2.405 10 0 CEAERO CC(C)CC[C@@H]([NH2+]C[C@H]1CN(C)CCO1)C1CC1 ZINC000367116194 394957978 /nfs/dbraw/zinc/95/79/78/394957978.db2.gz ZSNQXVBWKLTXGS-LSDHHAIUSA-N 1 0 254.418 2.121 10 0 CEAERO CCC[C@H](C(=O)OCC)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000147824760 394973211 /nfs/dbraw/zinc/97/32/11/394973211.db2.gz CPEGBDNYIAXNTC-UONOGXRCSA-N 1 0 270.417 2.134 10 0 CEAERO C[C@H]1CN(C(=O)CCSc2ccc(F)cc2)C[C@H]1[NH3+] ZINC000423940108 395031213 /nfs/dbraw/zinc/03/12/13/395031213.db2.gz BNYVEXPLBGKBAQ-GXFFZTMASA-N 1 0 282.384 2.114 10 0 CEAERO CC(C)OC(=O)CC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000173401014 395112862 /nfs/dbraw/zinc/11/28/62/395112862.db2.gz KKBSORDSIMKRAF-CYBMUJFWSA-N 1 0 265.357 2.278 10 0 CEAERO C[C@H]1CC[C@@H](O)C[N@@H+]1CCc1ccc2c(c1)CCO2 ZINC000399202171 395242188 /nfs/dbraw/zinc/24/21/88/395242188.db2.gz NQVUYYSARPYWSL-SWLSCSKDSA-N 1 0 261.365 2.009 10 0 CEAERO CC[C@]1(C)CC[N@H+](Cc2ncccc2C(=O)OC)C1 ZINC000399283664 395243244 /nfs/dbraw/zinc/24/32/44/395243244.db2.gz CGRZWNWWJGUAMY-OAHLLOKOSA-N 1 0 262.353 2.490 10 0 CEAERO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000399210200 395244084 /nfs/dbraw/zinc/24/40/84/395244084.db2.gz RBMORZJVGBCXPU-XJKSGUPXSA-N 1 0 271.364 2.218 10 0 CEAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCc2ncnn2C1 ZINC000180585762 395204980 /nfs/dbraw/zinc/20/49/80/395204980.db2.gz LSJHIXPRVDTFIE-BBRMVZONSA-N 1 0 298.390 2.269 10 0 CEAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)C(C)(C)C)CC2 ZINC000180615153 395205202 /nfs/dbraw/zinc/20/52/02/395205202.db2.gz ZJATXYLREWEUJK-MNOVXSKESA-N 1 0 250.390 2.180 10 0 CEAERO COC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COCc1ccccc1 ZINC000396010069 395215008 /nfs/dbraw/zinc/21/50/08/395215008.db2.gz NXLXYXFLQZYWRZ-DLBZAZTESA-N 1 0 293.407 2.065 10 0 CEAERO COc1ccc([C@H](C)N[C@@H]2CCC[NH2+][C@H]2C)cc1OC ZINC000396558105 395216355 /nfs/dbraw/zinc/21/63/55/395216355.db2.gz IYQSUBPSDRWYSB-SGMGOOAPSA-N 1 0 278.396 2.495 10 0 CEAERO COC[C@H](C)C[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C ZINC000187875212 395306737 /nfs/dbraw/zinc/30/67/37/395306737.db2.gz PONFRJQFZOLZNA-VXGBXAGGSA-N 1 0 274.405 2.162 10 0 CEAERO CC[C@@H]1[C@H](C)CCN1C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000184680152 395273916 /nfs/dbraw/zinc/27/39/16/395273916.db2.gz RZMILKVNZZNSFE-MGPQQGTHSA-N 1 0 267.417 2.301 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCC(C)(C)CC)C1 ZINC000192344640 395381085 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COC(C)(C)C[C@H](C)NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000121852968 292073692 /nfs/dbraw/zinc/07/36/92/292073692.db2.gz MVDCHSVBMZFAPB-IHRRRGAJSA-N 1 0 299.459 2.218 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)CCc1ccc(C)c(Cl)c1 ZINC000647032856 396405576 /nfs/dbraw/zinc/40/55/76/396405576.db2.gz DDJLZPXBXXVJJF-NSHDSACASA-N 1 0 268.788 2.305 10 0 CEAERO O[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000094373875 296563611 /nfs/dbraw/zinc/56/36/11/296563611.db2.gz HUSFAJZVPUQFAD-MGPQQGTHSA-N 1 0 253.386 2.229 10 0 CEAERO COc1ccc(NC(=O)C2CCC([NH3+])CC2)cc1F ZINC000037626165 400117023 /nfs/dbraw/zinc/11/70/23/400117023.db2.gz VKTGQYKOLLMOGD-UHFFFAOYSA-N 1 0 266.316 2.290 10 0 CEAERO C[C@H](c1ccncc1)N(C)C(=O)C1CCC([NH3+])CC1 ZINC000037823994 400120865 /nfs/dbraw/zinc/12/08/65/400120865.db2.gz SQIPTCLDMRMFFZ-LMWSTFAQSA-N 1 0 261.369 2.119 10 0 CEAERO COc1cc(C[NH2+]CC[C@@H]2CCCO2)cc(OC)c1OC ZINC000037988612 400122781 /nfs/dbraw/zinc/12/27/81/400122781.db2.gz VURWZMZXIJCJDT-ZDUSSCGKSA-N 1 0 295.379 2.371 10 0 CEAERO Brc1cccnc1NC[C@H]1CCCC[NH2+]1 ZINC000044493396 400145663 /nfs/dbraw/zinc/14/56/63/400145663.db2.gz KPBDCWZVYZFCDM-SECBINFHSA-N 1 0 270.174 2.398 10 0 CEAERO CC(C)(C)OC(=O)N1C[C@@H](C[NH3+])[C@H](CC(F)(F)F)C1 ZINC000218917013 400309223 /nfs/dbraw/zinc/30/92/23/400309223.db2.gz BCHLPOWJRXBQKX-RKDXNWHRSA-N 1 0 282.306 2.381 10 0 CEAERO CC[NH2+]CCCNc1cncc(Br)c1 ZINC000300778946 400330554 /nfs/dbraw/zinc/33/05/54/400330554.db2.gz RMWYIKPQOHQEDM-UHFFFAOYSA-N 1 0 258.163 2.256 10 0 CEAERO C[C@H]1C[C@H](c2ncc(I)s2)C[NH2+]1 ZINC000306334042 400332865 /nfs/dbraw/zinc/33/28/65/400332865.db2.gz FYBRIGNQBMSURM-WDSKDSINSA-N 1 0 294.161 2.213 10 0 CEAERO C[C@@H]1[C@H](Nc2nn(C)cc2N)CC[N@@H+]1Cc1ccccc1 ZINC000307727984 400340200 /nfs/dbraw/zinc/34/02/00/400340200.db2.gz FOSLSZCGZQFPKU-IUODEOHRSA-N 1 0 285.395 2.077 10 0 CEAERO CC(C)C[C@@H]1C[C@H]1[NH2+]C[C@H](O)COCc1ccco1 ZINC000385361507 400522007 /nfs/dbraw/zinc/52/20/07/400522007.db2.gz PIKICYAPMCXFAR-VNHYZAJKSA-N 1 0 267.369 2.181 10 0 CEAERO C[C@@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)[C@@H]1CC2CCC1CC2 ZINC000392865212 400543462 /nfs/dbraw/zinc/54/34/62/400543462.db2.gz GXIWGFWCGDQFQF-CSHXNDRBSA-N 1 0 264.413 2.458 10 0 CEAERO FC(F)(F)c1ccc(NCCC2CC[NH2+]CC2)nc1 ZINC000650311956 400868232 /nfs/dbraw/zinc/86/82/32/400868232.db2.gz HAIVUDDGPIBNPV-UHFFFAOYSA-N 1 0 273.302 2.324 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](C)CN1c1ncccc1Br ZINC000083118984 297114336 /nfs/dbraw/zinc/11/43/36/297114336.db2.gz HQIRJQLWOLYLIC-DTWKUNHWSA-N 1 0 270.174 2.031 10 0 CEAERO COc1c(C[NH+]2CCC([C@@H]3CCCO3)CC2)c(C)nn1C ZINC000188252313 153050330 /nfs/dbraw/zinc/05/03/30/153050330.db2.gz FREFZHLOMKSLTM-HNNXBMFYSA-N 1 0 293.411 2.128 10 0 CEAERO CCOC(=O)C1CCC(O)(C[N@@H+]2CCC3(CCC3)C2)CC1 ZINC000190936222 153150516 /nfs/dbraw/zinc/15/05/16/153150516.db2.gz KNTLRKHQGPJGKK-UHFFFAOYSA-N 1 0 295.423 2.347 10 0 CEAERO CCN(C)c1ccc(CN(C)C[C@H]2CCC[N@@H+]2CC)cn1 ZINC000191346215 153167037 /nfs/dbraw/zinc/16/70/37/153167037.db2.gz 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CEAERO CC(C)OC(=O)[C@]1(c2ccccc2)C[C@@H]1C[NH+](C)C ZINC000005442393 170099262 /nfs/dbraw/zinc/09/92/62/170099262.db2.gz CSRPYNBEDKFUTC-ZBFHGGJFSA-N 1 0 261.365 2.458 10 0 CEAERO CCN(CC)C(=O)[C@]1(c2ccccc2Cl)C[C@@H]1C[NH3+] ZINC000005649652 170123991 /nfs/dbraw/zinc/12/39/91/170123991.db2.gz VNHCUAGMTUIOAB-IAQYHMDHSA-N 1 0 280.799 2.425 10 0 CEAERO CC[NH+](CC)CC[C@]1(c2ccccc2)CCC(=O)NC1=O ZINC000005848170 170146914 /nfs/dbraw/zinc/14/69/14/170146914.db2.gz BFMBKRQFMIILCH-KRWDZBQOSA-N 1 0 288.391 2.093 10 0 in-man CEAERO C[C@H]([NH2+]Cc1cnc(C(C)(C)C)nc1)[C@@H]1CCCO1 ZINC000284299057 196024781 /nfs/dbraw/zinc/02/47/81/196024781.db2.gz IQCOQXOFSAXZDS-AAEUAGOBSA-N 1 0 263.385 2.431 10 0 CEAERO CCc1ccc(OC[C@H](O)C[NH3+])c(C(C)(C)C)c1 ZINC000008028912 170314883 /nfs/dbraw/zinc/31/48/83/170314883.db2.gz LHDUOQRQMOFEIP-GFCCVEGCSA-N 1 0 251.370 2.245 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1Oc1ccc2c(c1)CCC(=O)N2 ZINC000019268630 170765966 /nfs/dbraw/zinc/76/59/66/170765966.db2.gz OEHLIUIQDPBDTC-GXTWGEPZSA-N 1 0 260.337 2.220 10 0 CEAERO O=C(Nc1ccccc1Br)[C@H]1CCC[NH2+]C1 ZINC000019411617 170789856 /nfs/dbraw/zinc/78/98/56/170789856.db2.gz XWDMATMVNCQGOT-VIFPVBQESA-N 1 0 283.169 2.387 10 0 CEAERO O=C(NCC[C@@H]1CCCC[NH2+]1)c1ccc(F)cc1F ZINC000019471257 170804702 /nfs/dbraw/zinc/80/47/02/170804702.db2.gz ZTHPMIDWLXYIPV-NSHDSACASA-N 1 0 268.307 2.227 10 0 CEAERO COc1ccc(CCC[C@H](C)N2CC[NH2+]CC2)cc1 ZINC000019725818 170845079 /nfs/dbraw/zinc/84/50/79/170845079.db2.gz DZLNQVNDGANQFJ-AWEZNQCLSA-N 1 0 262.397 2.312 10 0 CEAERO CC(C)c1cccc(OCc2nnc(CC[NH3+])o2)c1 ZINC000019728110 170845852 /nfs/dbraw/zinc/84/58/52/170845852.db2.gz NHSLCXBRCKUNNZ-UHFFFAOYSA-N 1 0 261.325 2.273 10 0 CEAERO C[C@@H]1CCC[C@H](C)C1[NH2+]CCC(=O)N1CCCC1 ZINC000020127158 171011744 /nfs/dbraw/zinc/01/17/44/171011744.db2.gz MUOROPMSDSKWGX-NNQSOWQGSA-N 1 0 252.402 2.413 10 0 CEAERO CC(C)[C@@H](CN[C@H]1COc2cc(O)ccc21)[NH+](C)C ZINC000020145797 171030798 /nfs/dbraw/zinc/03/07/98/171030798.db2.gz ZSHCUSBSMKGUBG-UONOGXRCSA-N 1 0 264.369 2.002 10 0 CEAERO c1ccc(CC[NH2+]CCCOC[C@H]2CCCO2)cc1 ZINC000020146577 171033306 /nfs/dbraw/zinc/03/33/06/171033306.db2.gz HGMQOCNBDNHHSA-MRXNPFEDSA-N 1 0 263.381 2.404 10 0 CEAERO CSc1ccc([C@@H](C)[NH2+]CCNC(C)=O)cc1 ZINC000020185014 171048060 /nfs/dbraw/zinc/04/80/60/171048060.db2.gz ZFVRZDWPTMAHGB-SNVBAGLBSA-N 1 0 252.383 2.195 10 0 CEAERO COc1ccc(CN(C)[C@@H](C[NH3+])c2ccco2)cc1 ZINC000020225262 171087203 /nfs/dbraw/zinc/08/72/03/171087203.db2.gz WKSOVBUFTTUUCA-AWEZNQCLSA-N 1 0 260.337 2.420 10 0 CEAERO CN(CC(C)(C)C)[C@@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000020226436 171091807 /nfs/dbraw/zinc/09/18/07/171091807.db2.gz OURZLXJNIPSRPA-LBPRGKRZSA-N 1 0 264.369 2.393 10 0 CEAERO Nc1ccc(NC(=O)CC[NH+]2CCSCC2)c(Cl)c1 ZINC000020256873 171110774 /nfs/dbraw/zinc/11/07/74/171110774.db2.gz LEILIBSNAKAXJY-UHFFFAOYSA-N 1 0 299.827 2.300 10 0 CEAERO [NH3+]C[C@H](c1c(F)cccc1F)N1CCSCC1 ZINC000020257018 171111399 /nfs/dbraw/zinc/11/13/99/171111399.db2.gz OACJEDYSRKZQGH-LLVKDONJSA-N 1 0 258.337 2.013 10 0 CEAERO [NH3+][C@H](CN1CCOC1=O)c1cccc2ccccc21 ZINC000020262238 171119955 /nfs/dbraw/zinc/11/99/55/171119955.db2.gz LVUXZNAJBYPOHL-CQSZACIVSA-N 1 0 256.305 2.292 10 0 CEAERO CC[NH+](CC)CCCN[C@@H](C)C(=O)NC(C)(C)CC ZINC000020365738 171164341 /nfs/dbraw/zinc/16/43/41/171164341.db2.gz CDQUXARRIBOTJU-ZDUSSCGKSA-N 1 0 271.449 2.001 10 0 CEAERO CC(C)CNC(=O)[C@H](C)Oc1ccccc1[C@@H](C)[NH3+] ZINC000020419495 171184559 /nfs/dbraw/zinc/18/45/59/171184559.db2.gz LLSKFRVYXHQLOK-NEPJUHHUSA-N 1 0 264.369 2.246 10 0 CEAERO CC[C@@H]([NH3+])c1ccccc1O[C@@H](C)C(=O)N1CCCC1 ZINC000020419966 171185696 /nfs/dbraw/zinc/18/56/96/171185696.db2.gz MQVSUSUXDMPGNU-GXTWGEPZSA-N 1 0 276.380 2.486 10 0 CEAERO C[C@@H]([NH3+])c1c(F)cccc1Sc1nccc(=O)[nH]1 ZINC000020483988 171223864 /nfs/dbraw/zinc/22/38/64/171223864.db2.gz DOAZJHRUHWNCPG-SSDOTTSWSA-N 1 0 265.313 2.080 10 0 CEAERO COC(=O)C[C@H]([NH3+])c1ccc2cc(OC)ccc2c1 ZINC000020577582 171256314 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/nfs/dbraw/zinc/35/07/42/171350742.db2.gz KSVRFAWDDJQQCT-GFCCVEGCSA-N 1 0 264.369 2.060 10 0 CEAERO COc1ccc(OC)c([C@@H](C)N2CCC[NH2+]CC2)c1 ZINC000022045563 171350806 /nfs/dbraw/zinc/35/08/06/171350806.db2.gz UYZULWOHCQQISL-GFCCVEGCSA-N 1 0 264.369 2.060 10 0 CEAERO C[C@@H](c1ccc(Br)s1)N1CC[NH2+]CC1 ZINC000022129110 171354475 /nfs/dbraw/zinc/35/44/75/171354475.db2.gz HBJAFVAGLTYKES-QMMMGPOBSA-N 1 0 275.215 2.477 10 0 CEAERO Cc1ccc([C@H]([NH2+]CC(N)=O)c2ccccc2)c(C)c1 ZINC000022151016 171358472 /nfs/dbraw/zinc/35/84/72/171358472.db2.gz ZICVDNRQDTXZHH-QGZVFWFLSA-N 1 0 268.360 2.468 10 0 CEAERO C[C@@H]1C[NH+](CCCC(=O)Nc2cccc(N)c2)C[C@@H](C)O1 ZINC000022154553 171361381 /nfs/dbraw/zinc/36/13/81/171361381.db2.gz ORVCKIUGDZOZQK-CHWSQXEVSA-N 1 0 291.395 2.097 10 0 CEAERO [NH3+]Cc1ccccc1OCC(=O)Nc1cccc(F)c1 ZINC000022164054 171365093 /nfs/dbraw/zinc/36/50/93/171365093.db2.gz MPHUGNMPFQIJDL-UHFFFAOYSA-N 1 0 274.295 2.302 10 0 CEAERO C[C@@H]1CN([C@@H](C[NH3+])c2ccc(F)c(F)c2)C[C@H](C)O1 ZINC000022168384 171366995 /nfs/dbraw/zinc/36/69/95/171366995.db2.gz CFVQXHGAFNUKCZ-RBZYPMLTSA-N 1 0 270.323 2.074 10 0 CEAERO CC[C@H](C)NC(=O)COc1ccc([C@@H](C)[NH3+])cc1OC ZINC000022174991 171370087 /nfs/dbraw/zinc/37/00/87/171370087.db2.gz LWCFQGFPFXLTKZ-WDEREUQCSA-N 1 0 280.368 2.008 10 0 CEAERO CC(C)[N@H+](C)CC(=O)Nc1nc2ccc(N)cc2s1 ZINC000022176282 171370227 /nfs/dbraw/zinc/37/02/27/171370227.db2.gz NQWHUBUNRFPYFS-UHFFFAOYSA-N 1 0 278.381 2.157 10 0 CEAERO C[C@H]1CN([C@@H](C[NH3+])c2cccc(Cl)c2)CCO1 ZINC000022218643 171376894 /nfs/dbraw/zinc/37/68/94/171376894.db2.gz VWZSQHHQNAMTMK-GWCFXTLKSA-N 1 0 254.761 2.061 10 0 CEAERO CC(C)Oc1ccc([C@H]([NH3+])CN2CCO[C@@H](C)C2)cc1 ZINC000022565103 171391544 /nfs/dbraw/zinc/39/15/44/171391544.db2.gz MJRJAMCBJJOHNL-XJKSGUPXSA-N 1 0 278.396 2.194 10 0 CEAERO COc1ccc([C@H](N)C[N@H+](C)C(C)C)c(OC)c1 ZINC000022564992 171391548 /nfs/dbraw/zinc/39/15/48/171391548.db2.gz JYWBQINQNMATBU-CYBMUJFWSA-N 1 0 252.358 2.044 10 0 CEAERO CCC(C)(C)[C@@H]1CC[C@@H]([NH3+])[C@@H](N2CCOCC2)C1 ZINC000023068568 171409454 /nfs/dbraw/zinc/40/94/54/171409454.db2.gz WKCOULDDYZARCB-MCIONIFRSA-N 1 0 254.418 2.251 10 0 CEAERO CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000035230855 172070927 /nfs/dbraw/zinc/07/09/27/172070927.db2.gz APMPKAQCVBSESU-UPJWGTAASA-N 1 0 252.402 2.460 10 0 CEAERO C[C@@H](Cn1ccnc1)[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000035275217 172095577 /nfs/dbraw/zinc/09/55/77/172095577.db2.gz WGXOKMUKEYYJAB-AWEZNQCLSA-N 1 0 281.363 2.247 10 0 CEAERO CCNC(=O)[C@H](C)[N@H+](Cc1cccc(N)c1)C(C)C ZINC000035365631 172156231 /nfs/dbraw/zinc/15/62/31/172156231.db2.gz YBXKJWLLRIBXAT-LBPRGKRZSA-N 1 0 263.385 2.004 10 0 CEAERO CC1CCN(c2nc3sccn3c2C[NH3+])CC1 ZINC000035429551 172197112 /nfs/dbraw/zinc/19/71/12/172197112.db2.gz UZQDCIUHSUKMTA-UHFFFAOYSA-N 1 0 250.371 2.091 10 0 CEAERO C[NH2+][C@@H](c1cccnc1)c1ccc2c(c1)OCCO2 ZINC000035469691 172221170 /nfs/dbraw/zinc/22/11/70/172221170.db2.gz BYISOLCGVGUUFR-OAHLLOKOSA-N 1 0 256.305 2.162 10 0 CEAERO CCCNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC)cc1 ZINC000035632739 172315417 /nfs/dbraw/zinc/31/54/17/172315417.db2.gz GXKCOPCACIHZCH-LLVKDONJSA-N 1 0 270.398 2.045 10 0 CEAERO Cn1ccnc1SCCc1[nH]c2ccc(N)cc2[nH+]1 ZINC000035659184 172335521 /nfs/dbraw/zinc/33/55/21/172335521.db2.gz UGIAURXRIISSAU-UHFFFAOYSA-N 1 0 273.365 2.213 10 0 CEAERO COc1ccccc1-c1noc([C@H]2CCC[NH2+]C2)n1 ZINC000035660806 172337634 /nfs/dbraw/zinc/33/76/34/172337634.db2.gz DWVPQBNZYWYOST-JTQLQIEISA-N 1 0 259.309 2.212 10 0 CEAERO CCC1(CC)CC(=O)N([C@H](C)[C@@H]2CCCC[NH2+]2)C1=O ZINC000035691799 172359820 /nfs/dbraw/zinc/35/98/20/172359820.db2.gz VBQIBTLCTUMZDX-NEPJUHHUSA-N 1 0 266.385 2.082 10 0 CEAERO CN(Cc1ccco1)C[C@H]1Cc2ccccc2C[NH2+]1 ZINC000035702311 172370302 /nfs/dbraw/zinc/37/03/02/172370302.db2.gz KLDVKEQXEIOJRA-OAHLLOKOSA-N 1 0 256.349 2.426 10 0 CEAERO CCC[C@@H]1CC[C@@H](C[NH3+])[C@H](Sc2nc[nH]n2)C1 ZINC000035722899 172378315 /nfs/dbraw/zinc/37/83/15/172378315.db2.gz PCSOISBYLSVWIP-OUAUKWLOSA-N 1 0 254.403 2.441 10 0 CEAERO C[C@H]1CS(=O)(=O)c2ccc(C(C)(C)C)cc2[C@H]1[NH3+] ZINC000035755771 172396327 /nfs/dbraw/zinc/39/63/27/172396327.db2.gz SMXCFSTYSGJFKG-ZANVPECISA-N 1 0 267.394 2.407 10 0 CEAERO Cc1ccc(C)c(C(=O)N2[C@H]3C[NH2+]C[C@@H]3C[C@@H]2C)c1 ZINC000036259846 172552512 /nfs/dbraw/zinc/55/25/12/172552512.db2.gz NXFFRSHYETXAAT-YDHLFZDLSA-N 1 0 258.365 2.126 10 0 CEAERO Cc1ccsc1C(=O)N1C[C@@H]2C[C@@H]([NH3+])CC[C@@H]2C1 ZINC000036262409 172555285 /nfs/dbraw/zinc/55/52/85/172555285.db2.gz LTPCBNCLBJTMRV-WOPDTQHZSA-N 1 0 264.394 2.256 10 0 CEAERO CCC[N@H+](C)CCCOc1ccc(C(N)=S)cc1 ZINC000037144557 172982927 /nfs/dbraw/zinc/98/29/27/172982927.db2.gz VWIDVIOGGZGSIL-UHFFFAOYSA-N 1 0 266.410 2.432 10 0 CEAERO C[N@H+](CCCOc1ccccc1N)[C@H]1CCSC1 ZINC000037174101 173008835 /nfs/dbraw/zinc/00/88/35/173008835.db2.gz CGBSMNBZCNIMEU-LBPRGKRZSA-N 1 0 266.410 2.475 10 0 CEAERO COc1nc2sccn2c1C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000037242483 173059127 /nfs/dbraw/zinc/05/91/27/173059127.db2.gz SJZABVOFENODPP-MWLCHTKSSA-N 1 0 281.381 2.062 10 0 CEAERO C[C@@H]([NH2+][C@H]1CCS(=O)(=O)c2ccccc21)C1CC1 ZINC000037259312 173069026 /nfs/dbraw/zinc/06/90/26/173069026.db2.gz RCJKLZDUYUEINR-MFKMUULPSA-N 1 0 265.378 2.293 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCS(=O)(=O)c2ccccc21)C1CC1 ZINC000037259308 173069571 /nfs/dbraw/zinc/06/95/71/173069571.db2.gz RCJKLZDUYUEINR-ZWNOBZJWSA-N 1 0 265.378 2.293 10 0 CEAERO CCOCC[NH2+]Cc1c(C)nc2scc(C)n12 ZINC000037269076 173081162 /nfs/dbraw/zinc/08/11/62/173081162.db2.gz NPWORJVGPUQWGU-UHFFFAOYSA-N 1 0 253.371 2.139 10 0 CEAERO CC[C@@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)C(C)C ZINC000037318934 173118924 /nfs/dbraw/zinc/11/89/24/173118924.db2.gz QLXSFAWFMJCBNN-CQSZACIVSA-N 1 0 252.402 2.412 10 0 CEAERO CC(C)(C)n1cc(C[NH2+][C@@H]2CCC[C@@H](O)C2)cn1 ZINC000037321422 173122062 /nfs/dbraw/zinc/12/20/62/173122062.db2.gz RBEANCZWTVALDY-CHWSQXEVSA-N 1 0 251.374 2.031 10 0 CEAERO C[C@@H]1CCCCN1[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037363626 173153331 /nfs/dbraw/zinc/15/33/31/173153331.db2.gz YTFMHIXRSJRKBD-DOMZBBRYSA-N 1 0 260.381 2.496 10 0 CEAERO CC(C)(C)c1ccccc1OC[C@H](O)C[NH2+]C1CC1 ZINC000037370872 173159799 /nfs/dbraw/zinc/15/97/99/173159799.db2.gz WCFCOIMBKMZNMI-CYBMUJFWSA-N 1 0 263.381 2.476 10 0 CEAERO CCOc1cc2c(cc1C[NH2+]CC(OC)OC)O[C@H](C)C2 ZINC000037388363 173171527 /nfs/dbraw/zinc/17/15/27/173171527.db2.gz WDJMFCPDSDUEQV-LLVKDONJSA-N 1 0 295.379 2.117 10 0 CEAERO C[NH2+]Cc1nnc(-c2ccccc2Br)o1 ZINC000037388425 173171551 /nfs/dbraw/zinc/17/15/51/173171551.db2.gz WKISLOYLOZSVKX-UHFFFAOYSA-N 1 0 268.114 2.219 10 0 CEAERO COc1cccc2cc(C[NH2+]CC(OC)OC)oc21 ZINC000037389150 173172605 /nfs/dbraw/zinc/17/26/05/173172605.db2.gz YKQPDQMXYJMBSL-UHFFFAOYSA-N 1 0 265.309 2.150 10 0 CEAERO CCCNC(=O)c1ccccc1NC(=O)C[NH2+][C@@H](C)CC ZINC000037394607 173174966 /nfs/dbraw/zinc/17/49/66/173174966.db2.gz AWNALZCFTDFBNJ-LBPRGKRZSA-N 1 0 291.395 2.153 10 0 CEAERO CC(C)[NH2+]CC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000037395996 173175822 /nfs/dbraw/zinc/17/58/22/173175822.db2.gz XONUZOSLPDHINH-VHSXEESVSA-N 1 0 266.307 2.222 10 0 CEAERO CC(C)[NH2+]CC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000037395997 173176164 /nfs/dbraw/zinc/17/61/64/173176164.db2.gz XONUZOSLPDHINH-UWVGGRQHSA-N 1 0 266.307 2.222 10 0 CEAERO COC(=O)CCC[NH2+]Cc1cc2c(c(Cl)c1)OCO2 ZINC000037396021 173176996 /nfs/dbraw/zinc/17/69/96/173176996.db2.gz SMSFOWYHCCAYKC-UHFFFAOYSA-N 1 0 285.727 2.112 10 0 CEAERO CC(C)n1c2c(cccc2Cl)nc1[C@H]([NH3+])CO ZINC000037444329 173211908 /nfs/dbraw/zinc/21/19/08/173211908.db2.gz FPFBDYVKDYVYBS-SECBINFHSA-N 1 0 253.733 2.263 10 0 CEAERO C[NH2+][C@](C)(C(N)=O)c1cc2cc(Br)ccc2o1 ZINC000037459014 173224438 /nfs/dbraw/zinc/22/44/38/173224438.db2.gz UWQUPQWWVQIRMB-LBPRGKRZSA-N 1 0 297.152 2.115 10 0 CEAERO Nc1[nH+]ccn1Cc1ccc(Br)s1 ZINC000037483154 173228914 /nfs/dbraw/zinc/22/89/14/173228914.db2.gz IALWCMNGQRUUTQ-UHFFFAOYSA-N 1 0 258.144 2.338 10 0 CEAERO CC(C)[C@@H]([NH2+]CCS(C)(=O)=O)c1cccs1 ZINC000037490507 173231432 /nfs/dbraw/zinc/23/14/32/173231432.db2.gz LFQNYNSOBDJRHN-LLVKDONJSA-N 1 0 261.412 2.079 10 0 CEAERO CC(C)[NH2+]CC(=O)N1CC=C(c2ccccc2)CC1 ZINC000037495148 173234874 /nfs/dbraw/zinc/23/48/74/173234874.db2.gz SAANKWXZSLAAKA-UHFFFAOYSA-N 1 0 258.365 2.300 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)N[C@H](C)c1ccccc1F ZINC000037495665 173235010 /nfs/dbraw/zinc/23/50/10/173235010.db2.gz VROMWNJEWMDUQP-GHMZBOCLSA-N 1 0 252.333 2.391 10 0 CEAERO Cc1nc([C@H](C)[NH2+][C@@H]2CN3CCC2CC3)cs1 ZINC000037507685 173242083 /nfs/dbraw/zinc/24/20/83/173242083.db2.gz IKHHLQXXPFMAEZ-JOYOIKCWSA-N 1 0 251.399 2.196 10 0 CEAERO CCN(C(=O)Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC000037537427 173256835 /nfs/dbraw/zinc/25/68/35/173256835.db2.gz PMLCQLXJUIBPQW-UHFFFAOYSA-N 1 0 280.799 2.483 10 0 CEAERO CCN(C(=O)c1cc2ccccc2o1)[C@H]1CC[NH2+]C1 ZINC000037539846 173261605 /nfs/dbraw/zinc/26/16/05/173261605.db2.gz SKMAMLORRJZSRX-LBPRGKRZSA-N 1 0 258.321 2.257 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccccc1OCCCC(=O)OC ZINC000037724817 173643903 /nfs/dbraw/zinc/64/39/03/173643903.db2.gz QHCVRJUTZZYMFO-CYBMUJFWSA-N 1 0 265.353 2.298 10 0 CEAERO C[C@@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccccc1F ZINC000037764451 173691125 /nfs/dbraw/zinc/69/11/25/173691125.db2.gz GVRWLCZGGWIJNP-SNVBAGLBSA-N 1 0 265.332 2.019 10 0 CEAERO CC(C)C[NH2+][C@H](C(N)=O)c1ccc(Br)cc1 ZINC000037946193 173887148 /nfs/dbraw/zinc/88/71/48/173887148.db2.gz PMTMITZTQXHNEX-NSHDSACASA-N 1 0 285.185 2.221 10 0 CEAERO C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC[C@@H]1CC(=O)[O-] ZINC000038028115 174016745 /nfs/dbraw/zinc/01/67/45/174016745.db2.gz GTIWEYMQEKGTRU-ZIAGYGMSSA-N 1 0 268.401 2.190 10 0 CEAERO Cc1cc2ncnn2c(NC[C@H](C)[NH+]2CCCCC2)c1 ZINC000038029293 174019119 /nfs/dbraw/zinc/01/91/19/174019119.db2.gz DDLBZWPLPNSTNF-ZDUSSCGKSA-N 1 0 273.384 2.324 10 0 CEAERO FC1(F)Oc2ccc(NC3CC[NH2+]CC3)cc2O1 ZINC000038040548 174041059 /nfs/dbraw/zinc/04/10/59/174041059.db2.gz PGFGHMQTTHDNTK-UHFFFAOYSA-N 1 0 256.252 2.172 10 0 CEAERO CCn1cc(Cl)cc1C(=O)N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000038048524 174059554 /nfs/dbraw/zinc/05/95/54/174059554.db2.gz OOYNYMWKBLVKAV-WDEREUQCSA-N 1 0 269.776 2.161 10 0 CEAERO CCS(=O)(=O)c1ccccc1N[C@H]1CCCC[C@@H]1[NH3+] ZINC000038050915 174062243 /nfs/dbraw/zinc/06/22/43/174062243.db2.gz STWFFJAFHWHABR-RYUDHWBXSA-N 1 0 282.409 2.162 10 0 CEAERO COC(=O)CCC[C@H]([NH3+])c1ccc2c(c1)CCCO2 ZINC000038058274 174068783 /nfs/dbraw/zinc/06/87/83/174068783.db2.gz XRHQEEQMFZZPAH-ZDUSSCGKSA-N 1 0 263.337 2.355 10 0 CEAERO CC[C@H](C)[NH2+][C@](CC)(C(N)=O)c1ccc(OC)cc1 ZINC000038065581 174077114 /nfs/dbraw/zinc/07/71/14/174077114.db2.gz POAVCPZZLSHWIU-NHYWBVRUSA-N 1 0 264.369 2.174 10 0 CEAERO CCC[NH2+][C@H](C[C@@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC000038085360 174096194 /nfs/dbraw/zinc/09/61/94/174096194.db2.gz AMYLJLZEYUQMNB-NWDGAFQWSA-N 1 0 261.431 2.226 10 0 CEAERO C[C@H](Cc1ccco1)[NH2+][C@@H](C)C(=O)N1CCCCC1 ZINC000038092872 174107055 /nfs/dbraw/zinc/10/70/55/174107055.db2.gz YAXXWDBAQNSJTL-OLZOCXBDSA-N 1 0 264.369 2.201 10 0 CEAERO O[C@H](C[NH2+]CC[C@H]1CCCO1)c1cc(F)ccc1F ZINC000038096793 174110976 /nfs/dbraw/zinc/11/09/76/174110976.db2.gz ZQWRQPWAHYXZLV-BXUZGUMPSA-N 1 0 271.307 2.157 10 0 CEAERO C[C@@H]([NH3+])C(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000040430988 174259881 /nfs/dbraw/zinc/25/98/81/174259881.db2.gz LETDUZPVTRDMET-GFCCVEGCSA-N 1 0 261.369 2.353 10 0 CEAERO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCn2c(C)ccc2[C@H]1C ZINC000040464398 174273840 /nfs/dbraw/zinc/27/38/40/174273840.db2.gz QCWIRXCIQSBFDW-SUHUHFCYSA-N 1 0 263.385 2.073 10 0 CEAERO COc1ccc([C@@H](C)NC(=O)CCCCC[NH3+])cc1OC ZINC000040491242 174292467 /nfs/dbraw/zinc/29/24/67/174292467.db2.gz KDOGJTYZBJFHNQ-GFCCVEGCSA-N 1 0 294.395 2.400 10 0 CEAERO CCCNC(=O)[C@H](C)[NH2+][C@H](C)COc1ccc(C)cc1 ZINC000040499813 174296604 /nfs/dbraw/zinc/29/66/04/174296604.db2.gz MZZIWIFEAUVALO-KGLIPLIRSA-N 1 0 278.396 2.267 10 0 CEAERO Cc1cccc(CC[C@@H](C)[NH2+]C2CCS(=O)(=O)CC2)c1 ZINC000040500653 174297141 /nfs/dbraw/zinc/29/71/41/174297141.db2.gz UVAOXFIQLOYDJF-CQSZACIVSA-N 1 0 295.448 2.483 10 0 CEAERO CCN1CCC[C@H]([NH2+]Cc2ccc(OC)cc2OC)C1 ZINC000040502014 174297852 /nfs/dbraw/zinc/29/78/52/174297852.db2.gz PNFQQTSYVMUYHB-AWEZNQCLSA-N 1 0 278.396 2.278 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)cc2N)C1 ZINC000040501640 174298253 /nfs/dbraw/zinc/29/82/53/174298253.db2.gz ZAOUFULJCPMXME-LLVKDONJSA-N 1 0 281.787 2.136 10 0 CEAERO CCCCOCC[NH2+]Cc1sc(N(C)C)nc1OC ZINC000040506803 174302306 /nfs/dbraw/zinc/30/23/06/174302306.db2.gz DXHCFPWAZDFUPL-UHFFFAOYSA-N 1 0 287.429 2.124 10 0 CEAERO Cc1cc(C)c(C(N)=S)c(NC2CCC(O)CC2)[nH+]1 ZINC000040509974 174304292 /nfs/dbraw/zinc/30/42/92/174304292.db2.gz FJIJSPJNJMYPHK-UHFFFAOYSA-N 1 0 279.409 2.048 10 0 CEAERO CCOC(=O)CC[NH2+][C@H](C)c1sc(C)nc1C ZINC000040518773 174308432 /nfs/dbraw/zinc/30/84/32/174308432.db2.gz GWKIIPVUBMGPFA-MRVPVSSYSA-N 1 0 256.371 2.364 10 0 CEAERO Cc1nc(C)c([C@H](C)NC(=O)[C@@H]([NH3+])C(C)(C)C)s1 ZINC000040519003 174308584 /nfs/dbraw/zinc/30/85/84/174308584.db2.gz SBCDHUPECFROME-GZMMTYOYSA-N 1 0 269.414 2.311 10 0 CEAERO CO[C@H]1C[NH2+][C@H](C(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000040629917 174357735 /nfs/dbraw/zinc/35/77/35/174357735.db2.gz REHNFGQFZDRAJX-MNOVXSKESA-N 1 0 288.269 2.021 10 0 CEAERO CO[C@@H]1C[NH2+][C@@H](c2nc(-c3ccc(F)cc3)c[nH]2)C1 ZINC000040637652 174361735 /nfs/dbraw/zinc/36/17/35/174361735.db2.gz RHFGIMIKHWIFOE-NWDGAFQWSA-N 1 0 261.300 2.265 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](c2nc(-c3cc(F)ccc3F)c[nH]2)C1 ZINC000040637690 174361737 /nfs/dbraw/zinc/36/17/37/174361737.db2.gz OPOYRNCUJVZWEG-CABZTGNLSA-N 1 0 279.290 2.404 10 0 CEAERO Cn1ccnc1CC[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000040638968 174362896 /nfs/dbraw/zinc/36/28/96/174362896.db2.gz OJOLZNAJBGVECP-UHFFFAOYSA-N 1 0 282.347 2.006 10 0 CEAERO Cn1ccc(N[C@H]2CC[N@H+](CCc3ccccc3)C2)n1 ZINC000040671469 174369964 /nfs/dbraw/zinc/36/99/64/174369964.db2.gz HUPHRDDSGZQLQP-HNNXBMFYSA-N 1 0 270.380 2.149 10 0 CEAERO CCN(CC)C(=O)c1cc(N[C@H]2CCC[N@H+](C)C2)ccn1 ZINC000040673460 174372392 /nfs/dbraw/zinc/37/23/92/174372392.db2.gz BVQTVGISSFZRJM-AWEZNQCLSA-N 1 0 290.411 2.070 10 0 CEAERO CC(C)([NH2+]C1CC(c2ccccc2Cl)C1)C(N)=O ZINC000040674527 174372736 /nfs/dbraw/zinc/37/27/36/174372736.db2.gz JWHDISIJXHXSJR-UHFFFAOYSA-N 1 0 266.772 2.440 10 0 CEAERO CCOC(=O)C1(Nc2cccc(C)c2)CC[NH2+]CC1 ZINC000040695336 174378238 /nfs/dbraw/zinc/37/82/38/174378238.db2.gz IRLGFWVICOBGGF-UHFFFAOYSA-N 1 0 262.353 2.092 10 0 CEAERO CN(C)c1cccc(O[C@H](CC[NH3+])C(F)(F)F)c1 ZINC000040714218 174381905 /nfs/dbraw/zinc/38/19/05/174381905.db2.gz CFLXIQGCNMKYMC-LLVKDONJSA-N 1 0 262.275 2.411 10 0 CEAERO CC[NH2+]Cc1c(N2CC[C@@H](C)C2)nc2ccccn21 ZINC000040723742 174386043 /nfs/dbraw/zinc/38/60/43/174386043.db2.gz TXBWXGAVSNAYHE-GFCCVEGCSA-N 1 0 258.369 2.290 10 0 CEAERO Cc1cc(N(CCC[NH3+])c2ccc(F)cc2)ncn1 ZINC000040726841 174387384 /nfs/dbraw/zinc/38/73/84/174387384.db2.gz IEGJFWWHANTRED-UHFFFAOYSA-N 1 0 260.316 2.411 10 0 CEAERO CC(C)CN(CC(C)C)c1nc[nH+]c(NN(C)C)c1N ZINC000040735597 174389222 /nfs/dbraw/zinc/38/92/22/174389222.db2.gz BZAQOZNJQMYYHD-UHFFFAOYSA-N 1 0 280.420 2.066 10 0 CEAERO C[C@H](Nc1ccc(CCO)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000040738590 174390143 /nfs/dbraw/zinc/39/01/43/174390143.db2.gz SFAVPZYOWOMESW-ZFWWWQNUSA-N 1 0 262.397 2.364 10 0 CEAERO Cc1cc(C)c([C@H]([NH3+])CN2C(=O)C[C@H](C)C2=O)c(C)c1 ZINC000040739888 174390537 /nfs/dbraw/zinc/39/05/37/174390537.db2.gz IRFRLQHCYBEWTL-QWHCGFSZSA-N 1 0 274.364 2.007 10 0 CEAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc2[nH]ccc21 ZINC000040740805 174390899 /nfs/dbraw/zinc/39/08/99/174390899.db2.gz ZVYKFHGJHFCIHE-FOSCPWQOSA-N 1 0 269.348 2.181 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(OC(F)F)c1 ZINC000040749524 174394299 /nfs/dbraw/zinc/39/42/99/174394299.db2.gz SQXLKRRULGQCKY-YOGCLGLASA-N 1 0 296.317 2.382 10 0 CEAERO CC(C)C[C@@H](CO)[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000040775204 174402923 /nfs/dbraw/zinc/40/29/23/174402923.db2.gz BRXARZBVKDQSMC-SJORKVTESA-N 1 0 276.424 2.258 10 0 CEAERO CCC(CC)[C@@H](CNC(=O)c1ccccc1N)[NH+](C)C ZINC000040805372 174410019 /nfs/dbraw/zinc/41/00/19/174410019.db2.gz XAQXAUOFBJHFTC-OAHLLOKOSA-N 1 0 277.412 2.365 10 0 CEAERO COc1ccccc1[C@@H](C)NC(=O)C1CCC([NH3+])CC1 ZINC000040851241 174420362 /nfs/dbraw/zinc/42/03/62/174420362.db2.gz IFLWIPSKZUZQGC-PNESKVBLSA-N 1 0 276.380 2.390 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccc(OC)cc1OCc1nc(C)no1 ZINC000040905451 174430859 /nfs/dbraw/zinc/43/08/59/174430859.db2.gz WTUNBWADBYUAKZ-GFCCVEGCSA-N 1 0 291.351 2.245 10 0 CEAERO COc1ccc2c(c1)[C@@H]([NH2+]C1CC1)CCC[S@]2=O ZINC000040975799 174444113 /nfs/dbraw/zinc/44/41/13/174444113.db2.gz GVNXKHBTUIQRQA-UGSOOPFHSA-N 1 0 265.378 2.390 10 0 CEAERO CCN(Cc1ccc(C)cc1)C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000662863168 414779858 /nfs/dbraw/zinc/77/98/58/414779858.db2.gz ZNNIOVAPJLQKQL-UONOGXRCSA-N 1 0 264.344 2.044 10 0 CEAERO CCCCOC[C@@H](O)C[N@@H+]1CCC[C@H](OC(C)C)C1 ZINC000404519639 414785910 /nfs/dbraw/zinc/78/59/10/414785910.db2.gz HQXAYMRJCPRSQH-GJZGRUSLSA-N 1 0 273.417 2.053 10 0 CEAERO CC[NH2+][C@@H](c1nc2c(s1)CCC2)[C@@H]1CCOC1 ZINC000041191851 174508357 /nfs/dbraw/zinc/50/83/57/174508357.db2.gz OVJRGMOHJRYLCU-BXKDBHETSA-N 1 0 252.383 2.319 10 0 CEAERO CCc1ccc(OC[C@H](C)CN2CC[NH2+]CC2)cc1 ZINC000041355096 174532844 /nfs/dbraw/zinc/53/28/44/174532844.db2.gz VKCKSOKTIBGEGI-CQSZACIVSA-N 1 0 262.397 2.169 10 0 CEAERO O=C(CC[C@H]1CCC[NH2+]1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000400867173 414748690 /nfs/dbraw/zinc/74/86/90/414748690.db2.gz UBZGFXUWLQTGPR-MJBXVCDLSA-N 1 0 250.386 2.310 10 0 CEAERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000126432545 414800289 /nfs/dbraw/zinc/80/02/89/414800289.db2.gz MSZBBMMGRVJINQ-KKUMJFAQSA-N 1 0 290.407 2.329 10 0 CEAERO CC(NC(=O)[C@H]1CCC[C@H]([NH3+])C1)(C1CC1)C1CC1 ZINC000662915344 414801787 /nfs/dbraw/zinc/80/17/87/414801787.db2.gz LOWXBFROJCXZHP-GWCFXTLKSA-N 1 0 250.386 2.199 10 0 CEAERO CN(C(=O)c1ccc(F)cc1Cl)[C@H](C[NH3+])C(F)(F)F ZINC000662976223 414815636 /nfs/dbraw/zinc/81/56/36/414815636.db2.gz MGLUQVIFCRKHAA-SECBINFHSA-N 1 0 298.667 2.441 10 0 CEAERO Cc1ccc(CC(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)cc1C ZINC000662976370 414816474 /nfs/dbraw/zinc/81/64/74/414816474.db2.gz OQJHMWBXYXFJJO-LBPRGKRZSA-N 1 0 288.313 2.194 10 0 CEAERO Cc1cscc1C(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662981798 414817427 /nfs/dbraw/zinc/81/74/27/414817427.db2.gz QZSNHJRXBQOONP-MRVPVSSYSA-N 1 0 266.288 2.018 10 0 CEAERO Cc1nc(C)n(-c2ccc(C(F)(F)F)cc2C[NH3+])n1 ZINC000041633084 174588134 /nfs/dbraw/zinc/58/81/34/174588134.db2.gz JWQYCISWLOOMHJ-UHFFFAOYSA-N 1 0 270.258 2.362 10 0 CEAERO C[C@@H]([NH3+])c1ccc(NC(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000041709049 174611691 /nfs/dbraw/zinc/61/16/91/174611691.db2.gz JXGLFLCUPBYOIN-GRYCIOLGSA-N 1 0 277.368 2.347 10 0 CEAERO COC(=O)[C@@H](NC(=O)Nc1ccc([C@H](C)[NH3+])cc1)C(C)C ZINC000041714706 174614226 /nfs/dbraw/zinc/61/42/26/174614226.db2.gz KQSFLLBJJNCBAU-GWCFXTLKSA-N 1 0 293.367 2.025 10 0 CEAERO CC(C)C[NH+](CC(C)C)[C@H]1CC2(CC[C@H]1N)OCCO2 ZINC000042033896 174634358 /nfs/dbraw/zinc/63/43/58/174634358.db2.gz WNQDJSKDCPNRAK-CABCVRRESA-N 1 0 284.444 2.223 10 0 CEAERO CC[C@H]1CO[C@@H](C)CN1[C@@H](C[NH3+])c1cccs1 ZINC000042308362 174680771 /nfs/dbraw/zinc/68/07/71/174680771.db2.gz WUGFYUZPBYJPGP-SRVKXCTJSA-N 1 0 254.399 2.247 10 0 CEAERO C[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)c1ccccc1 ZINC000653056184 414890274 /nfs/dbraw/zinc/89/02/74/414890274.db2.gz XMVYLPKADCUOLK-MVWJERBFSA-N 1 0 286.297 2.262 10 0 CEAERO C[C@H]1CCC[C@H](CNC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653078828 414899002 /nfs/dbraw/zinc/89/90/02/414899002.db2.gz KMXFEKWUUIZJMV-NNYUYHANSA-N 1 0 292.345 2.327 10 0 CEAERO Cc1cc(Br)cnc1NCC12CC(C1)C[NH2+]2 ZINC000663274051 414900390 /nfs/dbraw/zinc/90/03/90/414900390.db2.gz LPZDJSFANVDJCO-UHFFFAOYSA-N 1 0 282.185 2.316 10 0 CEAERO CC[C@H](C)C[C@@H](C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653091962 414902213 /nfs/dbraw/zinc/90/22/13/414902213.db2.gz OBHKNOKVXIHYFD-LNFKQOIKSA-N 1 0 280.334 2.325 10 0 CEAERO CN1C[C@H](C[NH2+]Cc2ccc(C3CC3)cc2)CC1=O ZINC000657696078 415051362 /nfs/dbraw/zinc/05/13/62/415051362.db2.gz DNKVNHRLSKUKQU-ZDUSSCGKSA-N 1 0 258.365 2.132 10 0 CEAERO CCCC[N@H+](CCN)CCCOCC(F)(F)F ZINC000042696967 174844907 /nfs/dbraw/zinc/84/49/07/174844907.db2.gz PKQXNWADKQIDKG-UHFFFAOYSA-N 1 0 256.312 2.016 10 0 CEAERO CCCN(CC(F)(F)F)C(=O)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000042781247 174877308 /nfs/dbraw/zinc/87/73/08/174877308.db2.gz DSALXHVABOGCOK-NXEZZACHSA-N 1 0 266.307 2.175 10 0 CEAERO C[C@H]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000042866594 174895462 /nfs/dbraw/zinc/89/54/62/174895462.db2.gz FAYVTNUQPIKGBB-GXTWGEPZSA-N 1 0 296.436 2.250 10 0 CEAERO C[NH2+]Cc1cc2c(cc1OCCc1ccncc1)OCO2 ZINC000042874323 174899029 /nfs/dbraw/zinc/89/90/29/174899029.db2.gz HTYCYZDOLPYVEW-UHFFFAOYSA-N 1 0 286.331 2.151 10 0 CEAERO Cc1cc(COc2cc3c(cc2C[C@H](C)[NH3+])OCO3)no1 ZINC000042877786 174901032 /nfs/dbraw/zinc/90/10/32/174901032.db2.gz WSCMNEKYKXRDTA-VIFPVBQESA-N 1 0 290.319 2.180 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1nnnn1C)c1ccc(C)cc1 ZINC000042942912 174918521 /nfs/dbraw/zinc/91/85/21/174918521.db2.gz QCGFIWBRGQHJQK-VXGBXAGGSA-N 1 0 277.397 2.089 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccc(Cl)cc1)N1CCC(O)CC1 ZINC000042944397 174919913 /nfs/dbraw/zinc/91/99/13/174919913.db2.gz BWXVVYYORYZFFB-QMTHXVAHSA-N 1 0 268.788 2.185 10 0 CEAERO [NH3+]C[C@H](SCCO)c1ccc(Br)cc1 ZINC000042959510 174925116 /nfs/dbraw/zinc/92/51/16/174925116.db2.gz QSEIBYGSYHRDDS-JTQLQIEISA-N 1 0 276.199 2.174 10 0 CEAERO C[C@@H]1C[C@@H](C[NH2+][C@H]2COC3(CCC3)C2)C[C@H](C)O1 ZINC000658001481 415153931 /nfs/dbraw/zinc/15/39/31/415153931.db2.gz PAKOHRFUXFMOMU-XJFOESAGSA-N 1 0 253.386 2.491 10 0 CEAERO COc1ccc([C@@H](C[NH3+])Sc2nncs2)cc1 ZINC000042964696 174928395 /nfs/dbraw/zinc/92/83/95/174928395.db2.gz YNZRBWIUNYRGGA-SNVBAGLBSA-N 1 0 267.379 2.339 10 0 CEAERO CC[C@@H]([NH3+])[C@H](SCCO)c1ccc(OC)cc1 ZINC000042965044 174928672 /nfs/dbraw/zinc/92/86/72/174928672.db2.gz SSPUHPADCXWRTI-CHWSQXEVSA-N 1 0 255.383 2.199 10 0 CEAERO COCCS[C@@H](c1cccc(OC)c1)[C@H](C)[NH3+] ZINC000043032628 174949024 /nfs/dbraw/zinc/94/90/24/174949024.db2.gz XBAFIDNBHCIAFQ-GXFFZTMASA-N 1 0 255.383 2.463 10 0 CEAERO C[C@H]([NH3+])[C@H](c1ccccc1Cl)N(CCO)C1CC1 ZINC000043052604 174961018 /nfs/dbraw/zinc/96/10/18/174961018.db2.gz JNCAUVXETFVBPS-IINYFYTJSA-N 1 0 268.788 2.185 10 0 CEAERO C[C@H]([NH3+])[C@@H](Sc1nncn1C)c1cccs1 ZINC000043113205 174974740 /nfs/dbraw/zinc/97/47/40/174974740.db2.gz ACBRGZGJJLEBKG-IONNQARKSA-N 1 0 254.384 2.057 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1cnn(C)c1)N1CCC[C@@H]1c1cccnc1 ZINC000043127607 174979202 /nfs/dbraw/zinc/97/92/02/174979202.db2.gz LJELBJDOXPEWRX-DAXOMENPSA-N 1 0 285.395 2.041 10 0 CEAERO C[C@H]([NH3+])[C@@H](SCc1ccco1)c1cnn(C)c1 ZINC000043237890 174988111 /nfs/dbraw/zinc/98/81/11/174988111.db2.gz BYBYOBSEYBINLW-JOYOIKCWSA-N 1 0 251.355 2.335 10 0 CEAERO CC[NH2+][C@H](c1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 ZINC000043300784 175001293 /nfs/dbraw/zinc/00/12/93/175001293.db2.gz MMEXQZYNTJQSIT-WFASDCNBSA-N 1 0 297.420 2.171 10 0 CEAERO CC[NH2+][C@@H](c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043300807 175001704 /nfs/dbraw/zinc/00/17/04/175001704.db2.gz YECNAPJXNOUTNK-AAEUAGOBSA-N 1 0 287.812 2.425 10 0 CEAERO CCC[NH2+][C@@H]([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000043301322 175002089 /nfs/dbraw/zinc/00/20/89/175002089.db2.gz DFYMGGQAESTKOL-UONOGXRCSA-N 1 0 273.442 2.370 10 0 CEAERO COCCN([C@@H](C[NH3+])c1cccc(C)c1C)C1CC1 ZINC000043314950 175004833 /nfs/dbraw/zinc/00/48/33/175004833.db2.gz XPYWUVSNJDLCMO-INIZCTEOSA-N 1 0 262.397 2.414 10 0 CEAERO CC(=O)Nc1ccc(N[C@H]2CCC[NH2+]C2)cc1Cl ZINC000043326232 175007368 /nfs/dbraw/zinc/00/73/68/175007368.db2.gz ZWCUZARULOZOST-NSHDSACASA-N 1 0 267.760 2.462 10 0 CEAERO FC(F)(F)[C@@H]1CCCC[C@@H]1N[C@@H]1CCC[NH2+]C1 ZINC000043326671 175008230 /nfs/dbraw/zinc/00/82/30/175008230.db2.gz YPOXULRGTISFJA-MXWKQRLJSA-N 1 0 250.308 2.449 10 0 CEAERO COc1cc(C)c(N[C@H]2CCC[NH2+]C2)cc1OC ZINC000043326436 175008358 /nfs/dbraw/zinc/00/83/58/175008358.db2.gz PLXLWNQTVBYROV-NSHDSACASA-N 1 0 250.342 2.176 10 0 CEAERO Cc1cc(=O)[nH]c(S[C@H](c2ccco2)[C@H](C)[NH3+])n1 ZINC000043338276 175012723 /nfs/dbraw/zinc/01/27/23/175012723.db2.gz GISBVTBKTNEMFJ-KWQFWETISA-N 1 0 265.338 2.264 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccccn1)N(C)[C@@H]1CCSC1 ZINC000043339155 175013384 /nfs/dbraw/zinc/01/33/84/175013384.db2.gz PGRBGHIIRFSKMI-MBNYWOFBSA-N 1 0 265.426 2.297 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccccn1)N(C)Cc1ccncc1 ZINC000043339261 175013709 /nfs/dbraw/zinc/01/37/09/175013709.db2.gz CGEHBMJLVATTIP-GOEBONIOSA-N 1 0 270.380 2.387 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1ccccn1)N(C)CCc1ccncc1 ZINC000043339597 175013817 /nfs/dbraw/zinc/01/38/17/175013817.db2.gz OCOGPYCCSCFSEF-CJNGLKHVSA-N 1 0 270.380 2.039 10 0 CEAERO CCc1c(C)nn([C@H](c2ccccn2)[C@H](C)[NH3+])c1C ZINC000043341527 175015376 /nfs/dbraw/zinc/01/53/76/175015376.db2.gz AKGTWTNTVGAEAT-BONVTDFDSA-N 1 0 258.369 2.394 10 0 CEAERO CC[C@@H]([NH3+])[C@H](OCCOC(C)C)c1ccccn1 ZINC000043342848 175015768 /nfs/dbraw/zinc/01/57/68/175015768.db2.gz FGJJNCOBGCJNAC-OCCSQVGLSA-N 1 0 252.358 2.302 10 0 CEAERO COc1cc(C)ccc1O[C@@H](C[NH3+])c1ccccn1 ZINC000043342518 175015897 /nfs/dbraw/zinc/01/58/97/175015897.db2.gz YUIMKWIDCGLJRV-HNNXBMFYSA-N 1 0 258.321 2.477 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1cccnc1)N(C)CCc1ccccn1 ZINC000043345933 175016718 /nfs/dbraw/zinc/01/67/18/175016718.db2.gz NQOWNKNKLCPIRN-BBRMVZONSA-N 1 0 270.380 2.039 10 0 CEAERO CCOC(=O)CS[C@@H](c1ccccn1)[C@H]([NH3+])CC ZINC000043345101 175017129 /nfs/dbraw/zinc/01/71/29/175017129.db2.gz JXJXFNRWHWHDGS-ZWNOBZJWSA-N 1 0 268.382 2.156 10 0 CEAERO COCCN(CC(C)C)[C@H](c1cccnc1)[C@@H](C)[NH3+] ZINC000043347894 175018106 /nfs/dbraw/zinc/01/81/06/175018106.db2.gz QRODICZWXOCBOA-HIFRSBDPSA-N 1 0 265.401 2.074 10 0 CEAERO C[C@H]([NH3+])[C@H](c1cccnc1)n1cnc2ccccc21 ZINC000043348776 175018430 /nfs/dbraw/zinc/01/84/30/175018430.db2.gz BTFYZKSLWVDHGY-XHDPSFHLSA-N 1 0 252.321 2.368 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1cccnc1)N(CC)[C@@H](C)COC ZINC000043348597 175018434 /nfs/dbraw/zinc/01/84/34/175018434.db2.gz WMYHMTWHBOQFKV-QEJZJMRPSA-N 1 0 265.401 2.217 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1cccnc1)N(CCO)C1CCCCC1 ZINC000043348312 175018931 /nfs/dbraw/zinc/01/89/31/175018931.db2.gz MCRYEQSIWNHFHP-CJNGLKHVSA-N 1 0 277.412 2.097 10 0 CEAERO [NH3+]C[C@@H](Oc1ccc2c(c1)CCC(=O)N2)c1cccnc1 ZINC000043349212 175019308 /nfs/dbraw/zinc/01/93/08/175019308.db2.gz PXJUPVANLIGECW-OAHLLOKOSA-N 1 0 283.331 2.045 10 0 CEAERO Cc1cc(=O)[nH]c(S[C@H](c2cccnc2)[C@H](C)[NH3+])n1 ZINC000043352027 175019887 /nfs/dbraw/zinc/01/98/87/175019887.db2.gz UWJCTNZSQGUTQR-CABZTGNLSA-N 1 0 276.365 2.066 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccncc1)N(C)Cc1cccnc1 ZINC000043353489 175020799 /nfs/dbraw/zinc/02/07/99/175020799.db2.gz CIRFVGMYHBDTFV-CVEARBPZSA-N 1 0 270.380 2.387 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccncc1)N(C)CC(F)(F)F ZINC000043353849 175020820 /nfs/dbraw/zinc/02/08/20/175020820.db2.gz NKOCAEFYKPQBCW-WDEREUQCSA-N 1 0 261.291 2.354 10 0 CEAERO CC[C@H](C)N(CCOC)[C@@H](c1ccncc1)[C@@H](C)[NH3+] ZINC000043354672 175022121 /nfs/dbraw/zinc/02/21/21/175022121.db2.gz WPKMVLXUXDPDHP-GZBFAFLISA-N 1 0 265.401 2.217 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccncc1)N(CC(F)(F)F)C1CC1 ZINC000043354828 175022539 /nfs/dbraw/zinc/02/25/39/175022539.db2.gz MLQPKZCLVNSPLE-BXKDBHETSA-N 1 0 273.302 2.497 10 0 CEAERO Cc1ncsc1CCO[C@@H](C[NH3+])c1ccncc1 ZINC000043355729 175023033 /nfs/dbraw/zinc/02/30/33/175023033.db2.gz JVCVCPMKYPSFSE-LBPRGKRZSA-N 1 0 263.366 2.106 10 0 CEAERO C[C@H]([NH3+])[C@@H](Oc1ccc2c(c1)OCO2)c1ccncc1 ZINC000043355831 175023791 /nfs/dbraw/zinc/02/37/91/175023791.db2.gz GHBHGEWSDAXJNT-ZUZCIYMTSA-N 1 0 272.304 2.278 10 0 CEAERO Cc1ccc([C@@H]([C@H](C)[NH3+])N2CCCC[C@@H]2CCO)o1 ZINC000043363836 175024626 /nfs/dbraw/zinc/02/46/26/175024626.db2.gz WSPQHPKCAJLBHX-GZBFAFLISA-N 1 0 266.385 2.213 10 0 CEAERO CC[C@@H]1COCCN1[C@@H](c1ccc(C)o1)[C@@H](C)[NH3+] ZINC000043364466 175025240 /nfs/dbraw/zinc/02/52/40/175025240.db2.gz NSZKWHSKZFZCTI-YRGRVCCFSA-N 1 0 252.358 2.087 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)N1CCOC(C)(C)C1 ZINC000043364454 175025345 /nfs/dbraw/zinc/02/53/45/175025345.db2.gz KKKJKADDVDCVAP-JSGCOSHPSA-N 1 0 266.385 2.477 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)N(C)C[C@@H]1CCCO1 ZINC000043364767 175025423 /nfs/dbraw/zinc/02/54/23/175025423.db2.gz LJRPIMFFYYDANA-GZBFAFLISA-N 1 0 266.385 2.477 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)N(CC)CCOC ZINC000043364877 175025901 /nfs/dbraw/zinc/02/59/01/175025901.db2.gz GLRMCKWKTHCEEH-TZMCWYRMSA-N 1 0 254.374 2.335 10 0 CEAERO CC[C@@H]([NH3+])[C@H](OC[C@@H]1CCOC1)c1ccc(C)o1 ZINC000043367124 175026971 /nfs/dbraw/zinc/02/69/71/175026971.db2.gz QRRXCFZVSROWEA-BZPMIXESSA-N 1 0 253.342 2.420 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1nncn1C)c1ccc(C)o1 ZINC000043367333 175027091 /nfs/dbraw/zinc/02/70/91/175027091.db2.gz QHEDSPLKNZYSSG-ONGXEEELSA-N 1 0 266.370 2.287 10 0 CEAERO C[C@@H]([NH3+])[C@H](n1cc(Br)cn1)C(F)(F)F ZINC000043383081 175031291 /nfs/dbraw/zinc/03/12/91/175031291.db2.gz KJISDYOIHYNTLR-XINAWCOVSA-N 1 0 272.068 2.096 10 0 CEAERO C[NH2+][C@H](c1ccc(Cl)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043389108 175033155 /nfs/dbraw/zinc/03/31/55/175033155.db2.gz UBFWWMZWYDNIHD-BXKDBHETSA-N 1 0 291.775 2.174 10 0 CEAERO NC(=O)[C@H]([NH2+]CC1CC1)c1ccc(Cl)c(F)c1 ZINC000043390894 175033553 /nfs/dbraw/zinc/03/35/53/175033553.db2.gz TUBQLEMJGBNNCA-LLVKDONJSA-N 1 0 256.708 2.005 10 0 CEAERO COC[C@@H](C)N(C)[C@@H](C[NH3+])c1ccc(Cl)c(F)c1 ZINC000043390558 175033911 /nfs/dbraw/zinc/03/39/11/175033911.db2.gz IBGKGKPYBQIZRH-RNCFNFMXSA-N 1 0 274.767 2.446 10 0 CEAERO CO[C@@H]1C[NH2+][C@@H](c2nc(-c3cc(F)c(F)c(F)c3)no2)C1 ZINC000043391743 175034526 /nfs/dbraw/zinc/03/45/26/175034526.db2.gz KCFUHPXYWBJBEC-OIBJUYFYSA-N 1 0 299.252 2.203 10 0 CEAERO NC(=[NH2+])c1cc2c(nc1Oc1ccc(CO)cc1)CCC2 ZINC000043407169 175037005 /nfs/dbraw/zinc/03/70/05/175037005.db2.gz ZTHYXLPWAPPCCF-UHFFFAOYSA-N 1 0 283.331 2.139 10 0 CEAERO COCCOc1ccc2c(c1)OC(C)(C)C[C@@H]2[NH3+] ZINC000043460066 175051114 /nfs/dbraw/zinc/05/11/14/175051114.db2.gz VLYVWQLDVNWABM-LBPRGKRZSA-N 1 0 251.326 2.273 10 0 CEAERO O=C1NCC[C@H]1[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000658052252 415175619 /nfs/dbraw/zinc/17/56/19/415175619.db2.gz ITJRRIIKLBPIED-ZIAGYGMSSA-N 1 0 269.348 2.023 10 0 CEAERO O=C(N[C@@H](c1cccs1)C1CCCC1)[C@@H]1C[NH2+]CCO1 ZINC000043708357 175100832 /nfs/dbraw/zinc/10/08/32/175100832.db2.gz TUBHKJGEAFZTNQ-GXTWGEPZSA-N 1 0 294.420 2.084 10 0 CEAERO C[NH2+][C@@H](CN1C[C@@H](C)O[C@@H](C)C1)c1ccc(C)cc1 ZINC000043811255 175109998 /nfs/dbraw/zinc/10/99/98/175109998.db2.gz OIECDIJRXCTSKX-LZWOXQAQSA-N 1 0 262.397 2.365 10 0 CEAERO C[NH2+][C@@H](CN1CCO[C@@H](C)C1)c1ccc(OC(C)C)cc1 ZINC000043812474 175111264 /nfs/dbraw/zinc/11/12/64/175111264.db2.gz RDNJWKIPKRBONH-YOEHRIQHSA-N 1 0 292.423 2.455 10 0 CEAERO CC[NH2+][C@@H](CN(C)C(C)C)c1ccc2c(c1)OCCO2 ZINC000043813406 175111268 /nfs/dbraw/zinc/11/12/68/175111268.db2.gz VLQYHBRGVOCDCQ-AWEZNQCLSA-N 1 0 278.396 2.449 10 0 CEAERO CC[C@@H]1CCCCN1[C@@H]1CC2(CC[C@@H]1[NH2+]C)OCCO2 ZINC000043883323 175116127 /nfs/dbraw/zinc/11/61/27/175116127.db2.gz ZJOSMVZVFHUZOH-QLFBSQMISA-N 1 0 282.428 2.135 10 0 CEAERO CCCN(C)C[C@H]([NH2+]C)c1ccc(OC)c(OC)c1 ZINC000043885949 175116808 /nfs/dbraw/zinc/11/68/08/175116808.db2.gz SXWQCVSJRFHFFT-ZDUSSCGKSA-N 1 0 266.385 2.306 10 0 CEAERO CC[NH2+][C@@H](CN1CCO[C@@H](CC)C1)c1ccccc1OC ZINC000043893043 175118614 /nfs/dbraw/zinc/11/86/14/175118614.db2.gz QKHXPGPAIDXJQT-HOCLYGCPSA-N 1 0 292.423 2.457 10 0 CEAERO C[NH2+][C@H](CN(C)Cc1ccccn1)c1ccccc1OC ZINC000043894270 175119074 /nfs/dbraw/zinc/11/90/74/175119074.db2.gz AOCZQSSWLPTQOR-MRXNPFEDSA-N 1 0 285.391 2.483 10 0 CEAERO C[NH2+][C@@H](CN1CCOC(C)(C)C1)c1cccc(OC)c1 ZINC000043897657 175120325 /nfs/dbraw/zinc/12/03/25/175120325.db2.gz RUVYWBWOJBGIOW-HNNXBMFYSA-N 1 0 278.396 2.067 10 0 CEAERO CCOc1ccccc1[C@@H](CN1CCOC(C)(C)C1)[NH2+]C ZINC000043897707 175120359 /nfs/dbraw/zinc/12/03/59/175120359.db2.gz GFEWMAKRERCLAY-OAHLLOKOSA-N 1 0 292.423 2.457 10 0 CEAERO CC[NH2+][C@H](CN(C)C1CCOCC1)c1ccc(OC)cc1 ZINC000043898412 175120888 /nfs/dbraw/zinc/12/08/88/175120888.db2.gz GNPLQAAGDKAIBQ-QGZVFWFLSA-N 1 0 292.423 2.457 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2OC[C@@H]1N(C)C1CCOCC1 ZINC000043898473 175121383 /nfs/dbraw/zinc/12/13/83/175121383.db2.gz AHKAWXLESDMPEV-RDJZCZTQSA-N 1 0 290.407 2.209 10 0 CEAERO CCC[NH2+][C@@H]1CCCC[C@H]1N1CCOC[C@@H]1CC ZINC000043899440 175121764 /nfs/dbraw/zinc/12/17/64/175121764.db2.gz OJMVTJHBGNFABK-RRFJBIMHSA-N 1 0 254.418 2.408 10 0 CEAERO C[NH2+][C@H](CN(C)CC(F)(F)F)c1ccccc1OC ZINC000043900527 175121858 /nfs/dbraw/zinc/12/18/58/175121858.db2.gz SJVZYWZOGKOFLK-LLVKDONJSA-N 1 0 276.302 2.450 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2OC[C@H]1N(C)CC1CC1 ZINC000043906178 175122695 /nfs/dbraw/zinc/12/26/95/175122695.db2.gz ZBIOHOGMNYDLND-GDBMZVCRSA-N 1 0 260.381 2.440 10 0 CEAERO CC[NH2+][C@@H](c1ccc(OC)cc1)[C@H](C)N(C)CCOC ZINC000043915972 175124905 /nfs/dbraw/zinc/12/49/05/175124905.db2.gz ZTWWGMKCFOWNHC-XJKSGUPXSA-N 1 0 280.412 2.313 10 0 CEAERO C[NH2+][C@H](CN(C)CCOC)c1ccc(C)c(C)c1 ZINC000043915543 175125206 /nfs/dbraw/zinc/12/52/06/175125206.db2.gz QENKUPQDVWAGNJ-OAHLLOKOSA-N 1 0 250.386 2.142 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2C[C@H]1N1CCOCC1(C)C ZINC000043917044 175125815 /nfs/dbraw/zinc/12/58/15/175125815.db2.gz NUZUNUDBYPJLLF-HZPDHXFCSA-N 1 0 274.408 2.373 10 0 CEAERO CCOc1ccc([C@H](CN(C)C[C@@H]2CCCO2)[NH2+]C)cc1 ZINC000043965863 175126920 /nfs/dbraw/zinc/12/69/20/175126920.db2.gz QVKLCQRJWMNSRQ-IRXDYDNUSA-N 1 0 292.423 2.457 10 0 CEAERO C[NH2+][C@@H](CN(C)Cc1cnn(C)c1)c1ccc(C)cc1C ZINC000043967172 175128384 /nfs/dbraw/zinc/12/83/84/175128384.db2.gz ULIVAKSDDSBXCH-KRWDZBQOSA-N 1 0 286.423 2.429 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2CC[C@H]1N(C)Cc1cnn(C)c1 ZINC000043967205 175128390 /nfs/dbraw/zinc/12/83/90/175128390.db2.gz UCQSVCASSNUUGT-IAGOWNOFSA-N 1 0 284.407 2.127 10 0 CEAERO CC[NH2+][C@@H](CN(CC)CCOC)c1ccccc1 ZINC000043968597 175129418 /nfs/dbraw/zinc/12/94/18/175129418.db2.gz POTUGKLCTWIHBZ-HNNXBMFYSA-N 1 0 250.386 2.306 10 0 CEAERO CCOc1ccccc1[C@@H](CN(CC)CCOC)[NH2+]C ZINC000043968540 175129993 /nfs/dbraw/zinc/12/99/93/175129993.db2.gz SOGFMRATIKLXKG-OAHLLOKOSA-N 1 0 280.412 2.314 10 0 CEAERO CC[NH2+][C@@H](CN(C)[C@@H](C)COC)c1ccccc1OC ZINC000043969189 175130606 /nfs/dbraw/zinc/13/06/06/175130606.db2.gz YWJUQOJBLJLSHO-ZFWWWQNUSA-N 1 0 280.412 2.313 10 0 CEAERO CC[NH2+][C@@H](CN(CCOC)C1CC1)c1ccccc1OC ZINC000043969908 175131549 /nfs/dbraw/zinc/13/15/49/175131549.db2.gz XXYPHTBLZRTBCL-INIZCTEOSA-N 1 0 292.423 2.457 10 0 CEAERO C[C@H](N[C@H](C[NH+](C)C)c1ccccc1)c1cnn(C)c1 ZINC000044495153 175182616 /nfs/dbraw/zinc/18/26/16/175182616.db2.gz ZHPDAYUEZWVCGB-XJKSGUPXSA-N 1 0 272.396 2.374 10 0 CEAERO C[C@@H](N[C@H](C[NH+](C)C)c1ccccc1)c1cnn(C)c1 ZINC000044495155 175182774 /nfs/dbraw/zinc/18/27/74/175182774.db2.gz ZHPDAYUEZWVCGB-CZUORRHYSA-N 1 0 272.396 2.374 10 0 CEAERO Cc1nc(CN(C)C(=O)[C@H]([NH3+])c2ccccc2)cs1 ZINC000044609760 175216516 /nfs/dbraw/zinc/21/65/16/175216516.db2.gz BGERAZPPLYHXGY-CYBMUJFWSA-N 1 0 275.377 2.110 10 0 CEAERO C[NH2+][C@H]1CCCc2cc(OCC(=O)NCC(C)C)ccc21 ZINC000044745367 175241874 /nfs/dbraw/zinc/24/18/74/175241874.db2.gz TXISROUMHWWCTC-INIZCTEOSA-N 1 0 290.407 2.434 10 0 CEAERO CCCNC(=O)COc1ccc2c(c1)CCC[C@@H]2[NH2+]C ZINC000044745421 175241900 /nfs/dbraw/zinc/24/19/00/175241900.db2.gz IKUMOCGNEMSAGR-HNNXBMFYSA-N 1 0 276.380 2.188 10 0 CEAERO O=C1NCCCC[C@@H]1[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000044747169 175242645 /nfs/dbraw/zinc/24/26/45/175242645.db2.gz MESIJWZDDZIFKR-CABCVRRESA-N 1 0 274.364 2.028 10 0 CEAERO Cn1cc(C[NH2+][C@@H]2CCCc3cc(O)ccc32)cn1 ZINC000044747498 175243006 /nfs/dbraw/zinc/24/30/06/175243006.db2.gz CIGYUYBHIPJYBW-OAHLLOKOSA-N 1 0 257.337 2.293 10 0 CEAERO NC(=O)C1CCC([NH2+][C@H]2CCCc3cc(O)ccc32)CC1 ZINC000044747276 175243202 /nfs/dbraw/zinc/24/32/02/175243202.db2.gz PWHWDLXBSMAKFX-TZDAIYRESA-N 1 0 288.391 2.403 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)Nc1ccc(F)c(F)c1F ZINC000044798374 175255165 /nfs/dbraw/zinc/25/51/65/175255165.db2.gz RUYZYMJWIDTDPN-SSDOTTSWSA-N 1 0 260.259 2.417 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000044800239 175255429 /nfs/dbraw/zinc/25/54/29/175255429.db2.gz SKVIVUJECNJTBC-INIZCTEOSA-N 1 0 274.408 2.453 10 0 CEAERO CC[C@H]1CCCN(C(=O)[C@@H](C[NH3+])Cc2ccccc2)C1 ZINC000044802133 175255672 /nfs/dbraw/zinc/25/56/72/175255672.db2.gz DZXRRBQPVYNBSC-GOEBONIOSA-N 1 0 274.408 2.453 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)N1CCN(C(C)C)CC1 ZINC000044802143 175255751 /nfs/dbraw/zinc/25/57/51/175255751.db2.gz UKZFHAYOIDTBAB-UHFFFAOYSA-N 1 0 283.460 2.084 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000044801289 175255792 /nfs/dbraw/zinc/25/57/92/175255792.db2.gz NSFMVSHXOBWCGD-CHWSQXEVSA-N 1 0 270.417 2.215 10 0 CEAERO CC(C)CCN(C)C(=O)[C@@H](C[NH3+])Cc1ccccc1 ZINC000044804460 175256127 /nfs/dbraw/zinc/25/61/27/175256127.db2.gz MQXBBXMETVJEQV-OAHLLOKOSA-N 1 0 262.397 2.309 10 0 CEAERO C[N@H+](CC(N)=S)Cc1ccc(Br)s1 ZINC000045062926 175298903 /nfs/dbraw/zinc/29/89/03/175298903.db2.gz IWLZCDZWFMXDRY-UHFFFAOYSA-N 1 0 279.228 2.229 10 0 CEAERO CCCNC(=O)CC[NH2+][C@@H]1CCOc2ccccc21 ZINC000045072258 175301832 /nfs/dbraw/zinc/30/18/32/175301832.db2.gz KYTHAHKFFRPRKZ-CYBMUJFWSA-N 1 0 262.353 2.016 10 0 CEAERO Cn1cc(Cn2c(N)[nH+]c3cccc(Cl)c32)cn1 ZINC000045136005 175313221 /nfs/dbraw/zinc/31/32/21/175313221.db2.gz QFTTWIFWUMNXPZ-UHFFFAOYSA-N 1 0 261.716 2.054 10 0 CEAERO Cn1cc(Cn2c(N)[nH+]c3cc(Cl)ccc32)cn1 ZINC000045136009 175313377 /nfs/dbraw/zinc/31/33/77/175313377.db2.gz ARMGSISCLWFIHN-UHFFFAOYSA-N 1 0 261.716 2.054 10 0 CEAERO C[C@@H](C(N)=S)[N@H+](C)Cc1ccc2ncccc2c1 ZINC000045147136 175317396 /nfs/dbraw/zinc/31/73/96/175317396.db2.gz SAYOPTCASYUUKJ-JTQLQIEISA-N 1 0 259.378 2.341 10 0 CEAERO CC[C@@H](C)NC(=O)CC[NH2+][C@H](C)c1c(C)nn(CC)c1C ZINC000045171874 175321094 /nfs/dbraw/zinc/32/10/94/175321094.db2.gz PPLSERNSKPXYJD-VXGBXAGGSA-N 1 0 294.443 2.475 10 0 CEAERO Cc1nn(C)c(C)c1[C@H](C)[NH2+]C[C@@H]1CCCCO1 ZINC000045172617 175321973 /nfs/dbraw/zinc/32/19/73/175321973.db2.gz KINCGSZUYRTUQD-GWCFXTLKSA-N 1 0 251.374 2.257 10 0 CEAERO Cc1nn(C)c(C)c1[C@H](C)[NH2+]C[C@@H]1CCCCN1C ZINC000045172747 175322167 /nfs/dbraw/zinc/32/21/67/175322167.db2.gz KQFJCLOTJVPMQS-FZMZJTMJSA-N 1 0 264.417 2.172 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+][C@@H]2CCN(C3CC3)C2)c1C ZINC000045172776 175322276 /nfs/dbraw/zinc/32/22/76/175322276.db2.gz QJLGGUQMFLZATF-BXUZGUMPSA-N 1 0 276.428 2.407 10 0 CEAERO CC[C@@H]1CSC(NCc2ccc(S(C)(=O)=O)cc2)=[NH+]1 ZINC000045173906 175322836 /nfs/dbraw/zinc/32/28/36/175322836.db2.gz SPGFGLNQVORTNV-LLVKDONJSA-N 1 0 298.433 2.061 10 0 CEAERO COC(=O)[C@@](C)(CCN1CCc2ccccc21)NC1CC1 ZINC000045224360 175332312 /nfs/dbraw/zinc/33/23/12/175332312.db2.gz BYHXARHEJPKENA-QGZVFWFLSA-N 1 0 288.391 2.123 10 0 CEAERO CCN[C@](C[NH+]1CCCC1)(C(=O)OCC)c1ccccc1 ZINC000045225697 175332910 /nfs/dbraw/zinc/33/29/10/175332910.db2.gz CKOLUIKDPJRECR-KRWDZBQOSA-N 1 0 290.407 2.150 10 0 CEAERO CCCN[C@@](C)(C[N@@H+]1CCCC[C@@H]1C)C(=O)OCC ZINC000045226974 175333295 /nfs/dbraw/zinc/33/32/95/175333295.db2.gz ZJCSWYDWWMAXGE-ZFWWWQNUSA-N 1 0 270.417 2.182 10 0 CEAERO CCN[C@](C[N@H+](C)C(C)C)(C(=O)OC)c1ccccc1 ZINC000045229363 175334086 /nfs/dbraw/zinc/33/40/86/175334086.db2.gz MGJBFOOPQUVYPU-INIZCTEOSA-N 1 0 278.396 2.005 10 0 CEAERO CCN[C@](C)(CC[N@H+](C)C1CCCCC1)C(=O)OC ZINC000045231283 175334977 /nfs/dbraw/zinc/33/49/77/175334977.db2.gz WPJVWRQOTHPCEW-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CCC[NH2+][C@@](C)(CC[N@H+]1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000045231861 175335873 /nfs/dbraw/zinc/33/58/73/175335873.db2.gz FUSOXYJGYXOKBH-GUTXKFCHSA-N 1 0 270.417 2.482 10 0 CEAERO CCCN[C@](C)(CC[N@H+](CCC)C(C)C)C(=O)OC ZINC000045266944 175338935 /nfs/dbraw/zinc/33/89/35/175338935.db2.gz IURUWPXQCQGWFJ-OAHLLOKOSA-N 1 0 272.433 2.428 10 0 CEAERO CC[NH2+][C@@](C)(CC[N@@H+]1CCCC[C@@H]1CC)C(=O)[O-] ZINC000045265909 175339320 /nfs/dbraw/zinc/33/93/20/175339320.db2.gz JOLPNQATASPHDF-JSGCOSHPSA-N 1 0 256.390 2.094 10 0 CEAERO CCOC(=O)[C@](C)(N)CC[N@H+](C)C1CCCCCC1 ZINC000045271973 175342229 /nfs/dbraw/zinc/34/22/29/175342229.db2.gz MMXJWNOPCDUSPM-OAHLLOKOSA-N 1 0 270.417 2.312 10 0 CEAERO CCN(CC[C@](C)([NH2+]C(C)C)C(N)=O)c1cccc(C)c1 ZINC000045273258 175344037 /nfs/dbraw/zinc/34/40/37/175344037.db2.gz AQIMJBGHUQZFEL-KRWDZBQOSA-N 1 0 291.439 2.453 10 0 CEAERO CCCN[C@@](C)(C[N@H+](C)[C@@H](C)C(C)(C)C)C(=O)OC ZINC000045274722 175345366 /nfs/dbraw/zinc/34/53/66/175345366.db2.gz AJTJZIIHXPNOJU-WFASDCNBSA-N 1 0 272.433 2.284 10 0 CEAERO CCCC[N@H+](CC[C@@](C)(NC1CC1)C(=O)OC)C1CC1 ZINC000045276389 175346504 /nfs/dbraw/zinc/34/65/04/175346504.db2.gz IZOLSPBWSZIPJZ-MRXNPFEDSA-N 1 0 282.428 2.325 10 0 CEAERO CCC[N@H+](CC1CC1)C[C@@](C)(NC1CC1)C(=O)OCC ZINC000045276858 175346690 /nfs/dbraw/zinc/34/66/90/175346690.db2.gz HOCXFZKHHGTBHU-MRXNPFEDSA-N 1 0 282.428 2.182 10 0 CEAERO CCOC(=O)[C@](C)(C[N@H+](CC(C)C)C1CC1)NC1CC1 ZINC000045277519 175347381 /nfs/dbraw/zinc/34/73/81/175347381.db2.gz JPHHUMOTCBHKLP-INIZCTEOSA-N 1 0 282.428 2.181 10 0 CEAERO CC(C)[NH2+][C@](C)(CC[N@H+](CC1CC1)C(C)C)C(=O)[O-] ZINC000045281014 175351143 /nfs/dbraw/zinc/35/11/43/175351143.db2.gz SDGMIEMWZVFFQV-OAHLLOKOSA-N 1 0 270.417 2.338 10 0 CEAERO CC[NH2+][C@@](C)(CCCC[N@@H+]1CCC[C@@H]1C)C(=O)[O-] ZINC000045367728 175363252 /nfs/dbraw/zinc/36/32/52/175363252.db2.gz NNPQAXMGRUGKFJ-JSGCOSHPSA-N 1 0 256.390 2.094 10 0 CEAERO CN[C@H](C[NH+](C1CCCCC1)C1CCCCC1)C(N)=O ZINC000045369247 175363626 /nfs/dbraw/zinc/36/36/26/175363626.db2.gz JQHLGAKGYSLLFN-OAHLLOKOSA-N 1 0 281.444 2.027 10 0 CEAERO CC[NH2+][C@](C)(CCC[N@H+]1C[C@H](C)C[C@H](C)C1)C(=O)[O-] ZINC000045373435 175365199 /nfs/dbraw/zinc/36/51/99/175365199.db2.gz OMEDJNZWFKRCFU-VNHYZAJKSA-N 1 0 270.417 2.197 10 0 CEAERO CC(C)[NH2+][C@@](C)(CCCC[NH+]1CCCC1)C(=O)[O-] ZINC000045375209 175366554 /nfs/dbraw/zinc/36/65/54/175366554.db2.gz XQUOQYSWCABJDQ-AWEZNQCLSA-N 1 0 256.390 2.094 10 0 CEAERO CN[C@@](C)(CCCC[NH+]1CCCCCC1)C(=O)OC ZINC000045377441 175367247 /nfs/dbraw/zinc/36/72/47/175367247.db2.gz AJVUBRCQFUGWOZ-HNNXBMFYSA-N 1 0 270.417 2.184 10 0 CEAERO CCC[NH+](CCC)CCC[C@@](C)(NC)C(=O)OC ZINC000045378598 175367587 /nfs/dbraw/zinc/36/75/87/175367587.db2.gz CBKTWIWCWYQIPX-CQSZACIVSA-N 1 0 258.406 2.040 10 0 CEAERO CCOC(=O)[C@](C)(N)CCC[N@@H+]1CCc2ccccc2C1 ZINC000045378780 175368283 /nfs/dbraw/zinc/36/82/83/175368283.db2.gz IBVCWSNWFVNNLV-QGZVFWFLSA-N 1 0 290.407 2.105 10 0 CEAERO C[NH2+][C@@](C)(CCCC[N@H+]1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000045379534 175368361 /nfs/dbraw/zinc/36/83/61/175368361.db2.gz DJKHHJUTFVLLIN-GUTXKFCHSA-N 1 0 270.417 2.482 10 0 CEAERO C[NH2+][C@](C)(CCCC[N@@H+]1CCc2ccccc2C1)C(=O)[O-] ZINC000045378751 175368488 /nfs/dbraw/zinc/36/84/88/175368488.db2.gz MASKSWCOURWEDX-QGZVFWFLSA-N 1 0 290.407 2.278 10 0 CEAERO CC[NH2+][C@@](C)(CCC[NH+]1[C@@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000045379650 175368854 /nfs/dbraw/zinc/36/88/54/175368854.db2.gz XXWDPMGOBQYSAT-YDHLFZDLSA-N 1 0 270.417 2.482 10 0 CEAERO CCN[C@@](C)(CCCC[N@H+](C)CC)C(=O)OCC ZINC000045382705 175370839 /nfs/dbraw/zinc/37/08/39/175370839.db2.gz MJGKNXVJSYPJMK-AWEZNQCLSA-N 1 0 258.406 2.040 10 0 CEAERO CCC[N@H+](CCC[C@](C)(NCC)C(=O)OC)C(C)C ZINC000045386008 175372265 /nfs/dbraw/zinc/37/22/65/175372265.db2.gz CMXATUGUKLJJPZ-HNNXBMFYSA-N 1 0 272.433 2.428 10 0 CEAERO CCC[N@H+](CC)CCCC[C@@](C)(NCC)C(=O)OC ZINC000045386906 175372899 /nfs/dbraw/zinc/37/28/99/175372899.db2.gz KDJHTOKDCIVUFQ-OAHLLOKOSA-N 1 0 272.433 2.430 10 0 CEAERO CCCN[C@@](C)(CCC[N@H+](CC)CCC)C(=O)OC ZINC000045387098 175373028 /nfs/dbraw/zinc/37/30/28/175373028.db2.gz GLXSNSMWDQMOGK-HNNXBMFYSA-N 1 0 272.433 2.430 10 0 CEAERO CC[N@H+](CCC[C@](C)(NC(C)C)C(=O)OC)C1CC1 ZINC000045386587 175373088 /nfs/dbraw/zinc/37/30/88/175373088.db2.gz WICMHVFVMJLXNX-HNNXBMFYSA-N 1 0 270.417 2.181 10 0 CEAERO CCC[N@H+](CCC[C@@](C)(NC)C(=O)OCC)C1CC1 ZINC000045387583 175373255 /nfs/dbraw/zinc/37/32/55/175373255.db2.gz PWLLFIRDORJVKM-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CCC[N@H+](CC)CCC[C@@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045387018 175373403 /nfs/dbraw/zinc/37/34/03/175373403.db2.gz AHPDBRLUPQSDPM-CQSZACIVSA-N 1 0 258.406 2.340 10 0 CEAERO CCCCC[N@H+](C)CCC[C@](C)(NC)C(=O)OCC ZINC000045388120 175373951 /nfs/dbraw/zinc/37/39/51/175373951.db2.gz UUZDIHVXZBHYOO-HNNXBMFYSA-N 1 0 272.433 2.430 10 0 CEAERO CCC(CC)[N@H+](C)CCC[C@@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000045391548 175374561 /nfs/dbraw/zinc/37/45/61/175374561.db2.gz NYXUTGJQFWEFSF-OAHLLOKOSA-N 1 0 270.417 2.482 10 0 CEAERO CCCN(CCC[C@](C)([NH3+])C(=O)OCC)CC(F)(F)F ZINC000045420827 175379313 /nfs/dbraw/zinc/37/93/13/175379313.db2.gz VCYQDAHSKDKDET-LBPRGKRZSA-N 1 0 298.349 2.321 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+][C@@H](C)C2(CO)CC2)c1C ZINC000658160860 415238593 /nfs/dbraw/zinc/23/85/93/415238593.db2.gz PRERUGCTZIXJHX-GWCFXTLKSA-N 1 0 265.401 2.331 10 0 CEAERO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)C1CCC(F)(F)CC1 ZINC000658238476 415271662 /nfs/dbraw/zinc/27/16/62/415271662.db2.gz HHNZAUZKWMPGMD-QWRGUYRKSA-N 1 0 274.355 2.268 10 0 CEAERO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1ccc(F)c(F)c1 ZINC000658246326 415280710 /nfs/dbraw/zinc/28/07/10/415280710.db2.gz YKEQHGYEEQIBIN-UWVGGRQHSA-N 1 0 268.307 2.094 10 0 CEAERO COc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC(CO)C1 ZINC000658350298 415330835 /nfs/dbraw/zinc/33/08/35/415330835.db2.gz CKQDVWLSZBKWGO-IJGSQOGDSA-N 1 0 261.365 2.433 10 0 CEAERO OC1(c2ccc(F)c(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000059792038 175633684 /nfs/dbraw/zinc/63/36/84/175633684.db2.gz WFKLNXPLZQNJHD-UHFFFAOYSA-N 1 0 263.234 2.416 10 0 CEAERO CC[C@H](NC(=O)[C@]1(COC)CCC[NH2+]1)C1CCCCC1 ZINC000659274637 415485132 /nfs/dbraw/zinc/48/51/32/415485132.db2.gz CQYYBWPZBKIXAL-GOEBONIOSA-N 1 0 282.428 2.230 10 0 CEAERO NC(=O)C1CC[NH+](Cc2cnoc2-c2ccccc2)CC1 ZINC000065288891 175708069 /nfs/dbraw/zinc/70/80/69/175708069.db2.gz JSTPNEVPSFBUGD-UHFFFAOYSA-N 1 0 285.347 2.039 10 0 CEAERO COc1cccc(C(=O)N(C)[C@H]2CCC[NH2+]CC2)c1C ZINC000659305754 415502224 /nfs/dbraw/zinc/50/22/24/415502224.db2.gz XOUGXCVQHLGTCG-ZDUSSCGKSA-N 1 0 276.380 2.218 10 0 CEAERO COC[C@@]1(C(=O)N(C)C2CCC(C)(C)CC2)CCC[NH2+]1 ZINC000659263766 415479283 /nfs/dbraw/zinc/47/92/83/415479283.db2.gz ZVTKPGWZVMUONM-MRXNPFEDSA-N 1 0 282.428 2.182 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000659344021 415534049 /nfs/dbraw/zinc/53/40/49/415534049.db2.gz VVWCFQTVYCOELB-XHJNMGKDSA-N 1 0 252.402 2.030 10 0 CEAERO O=C(NCCCC1CCC1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000659361424 415541867 /nfs/dbraw/zinc/54/18/67/415541867.db2.gz KJFNWIDNTMAQQJ-GHMZBOCLSA-N 1 0 278.318 2.081 10 0 CEAERO CC(C)C[NH2+]C[C@H]1CCCCN1c1nncs1 ZINC000070426621 175922939 /nfs/dbraw/zinc/92/29/39/175922939.db2.gz JUEIHOSHSXBCNP-LLVKDONJSA-N 1 0 254.403 2.143 10 0 CEAERO Cc1ccc(C[NH3+])cc1S(=O)(=O)N[C@H](C)C1CCCC1 ZINC000070431291 175926569 /nfs/dbraw/zinc/92/65/69/175926569.db2.gz XZYIKDMAAGYDJG-GFCCVEGCSA-N 1 0 296.436 2.311 10 0 CEAERO [NH3+]CC[C@@H]1CN(C(=O)[C@@H]2CCCS2)c2ccccc21 ZINC000070437502 175931918 /nfs/dbraw/zinc/93/19/18/175931918.db2.gz PGIYQOJIASTWGO-RISCZKNCSA-N 1 0 276.405 2.361 10 0 CEAERO C[C@@H](c1ccc(Br)cc1)N1C[C@@H](C[NH3+])CC1=O ZINC000070493049 175956037 /nfs/dbraw/zinc/95/60/37/175956037.db2.gz PUSFKTNMBAXBNY-VHSXEESVSA-N 1 0 297.196 2.317 10 0 CEAERO Cc1cc[nH+]c(N2CCOc3ccccc3C2)c1N ZINC000070496924 175957349 /nfs/dbraw/zinc/95/73/49/175957349.db2.gz VRFYYZBTALBDPF-UHFFFAOYSA-N 1 0 255.321 2.371 10 0 CEAERO C[C@@]1(c2ccccc2Br)C[C@@]1(C[NH3+])CO ZINC000070500854 175958808 /nfs/dbraw/zinc/95/88/08/175958808.db2.gz ZGUSUVAVDQFZOH-NWDGAFQWSA-N 1 0 270.170 2.048 10 0 CEAERO CC[C@@]1(C(=O)N(CC2CC2)CC2CC2)CCC[NH2+]C1 ZINC000070505384 175959185 /nfs/dbraw/zinc/95/91/85/175959185.db2.gz NRAAXHGXKHWWML-MRXNPFEDSA-N 1 0 264.413 2.415 10 0 CEAERO C[C@H]1COc2ccc([C@H]([NH3+])CCCCC(N)=O)cc2OC1 ZINC000070510455 175960480 /nfs/dbraw/zinc/96/04/80/175960480.db2.gz OISGTFUTECTZNN-WCQYABFASA-N 1 0 292.379 2.139 10 0 CEAERO Cc1cc2c(c(C)c1)N(C[C@H](C)C[NH2+]C1CC1)C(=O)C2=O ZINC000070527387 175971541 /nfs/dbraw/zinc/97/15/41/175971541.db2.gz BXDPGESWNKTHAD-LLVKDONJSA-N 1 0 286.375 2.221 10 0 CEAERO CCN(Cc1ccncc1)C(=O)c1ccc(CC[NH3+])cc1 ZINC000070552361 175981266 /nfs/dbraw/zinc/98/12/66/175981266.db2.gz XPDJMTQFUHHBPM-UHFFFAOYSA-N 1 0 283.375 2.245 10 0 CEAERO COc1ccc2cc([C@]3(C)C[C@]3(C[NH3+])CO)ccc2c1 ZINC000070553665 175982097 /nfs/dbraw/zinc/98/20/97/175982097.db2.gz PVNUYBVCBGDEHJ-IRXDYDNUSA-N 1 0 271.360 2.447 10 0 CEAERO [NH3+][C@H]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000070574046 175989095 /nfs/dbraw/zinc/98/90/95/175989095.db2.gz KYYVMGJQIBMJBL-WPRPVWTQSA-N 1 0 253.733 2.191 10 0 CEAERO Cc1nn(-c2ncc(C[NH3+])cc2Cl)cc1Cl ZINC000070704775 176002568 /nfs/dbraw/zinc/00/25/68/176002568.db2.gz IHYABTVJLKHZJH-UHFFFAOYSA-N 1 0 257.124 2.341 10 0 CEAERO Nc1cc(Cl)ccc1SC[C@@H]1C[NH2+]CCO1 ZINC000070834368 176007979 /nfs/dbraw/zinc/00/79/79/176007979.db2.gz KSHUYJKXXAIGCM-VIFPVBQESA-N 1 0 258.774 2.003 10 0 CEAERO Cc1ccc([C@H]2[C@H]([NH3+])CCC(=O)N2C(C)C)s1 ZINC000070987024 176018371 /nfs/dbraw/zinc/01/83/71/176018371.db2.gz FCGGCBHSQMPWQD-ZWNOBZJWSA-N 1 0 252.383 2.456 10 0 CEAERO COc1ccc([C@H]2[C@@H]([NH3+])CCC(=O)N2C2CC2)cc1C ZINC000070987200 176018529 /nfs/dbraw/zinc/01/85/29/176018529.db2.gz GGNUNVJEUGHNOF-BBRMVZONSA-N 1 0 274.364 2.157 10 0 CEAERO CC[NH2+][C@@H]1CCCN(CC2CCC(C)CC2)C1=O ZINC000071031315 176022387 /nfs/dbraw/zinc/02/23/87/176022387.db2.gz VSABZBNKDYOFHV-JXQTWKCFSA-N 1 0 252.402 2.413 10 0 CEAERO CCC[NH2+][C@@H]1CCCN([C@@H](C)Cc2ccco2)C1=O ZINC000071032169 176022878 /nfs/dbraw/zinc/02/28/78/176022878.db2.gz JWEJAMAUFXIDGW-GXTWGEPZSA-N 1 0 264.369 2.201 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCCN1[C@H]1C[C@@H]1c1ccccc1 ZINC000071031710 176023017 /nfs/dbraw/zinc/02/30/17/176023017.db2.gz NLBNKSOEDHRGPX-PMPSAXMXSA-N 1 0 270.376 2.286 10 0 CEAERO CC[NH2+][C@@H]1CCCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000071032095 176023158 /nfs/dbraw/zinc/02/31/58/176023158.db2.gz KMEHZTSNUUMTKQ-BXUZGUMPSA-N 1 0 264.344 2.487 10 0 CEAERO CC(C)[NH2+][C@@H]1CCCN(Cc2ccccc2F)C1=O ZINC000071032833 176023453 /nfs/dbraw/zinc/02/34/53/176023453.db2.gz WJNLMYBRHWZVFM-CQSZACIVSA-N 1 0 264.344 2.315 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCN1CCc1ccc(Cl)cc1 ZINC000071034429 176024796 /nfs/dbraw/zinc/02/47/96/176024796.db2.gz BNPPHHKAQUWVKT-AWEZNQCLSA-N 1 0 278.783 2.235 10 0 CEAERO CCC[NH2+][C@H]1CCN(c2nc(C3CC3)cs2)C1=O ZINC000071036496 176025914 /nfs/dbraw/zinc/02/59/14/176025914.db2.gz HZAUPUBIHZYQAS-JTQLQIEISA-N 1 0 265.382 2.125 10 0 CEAERO CCC[NH2+][C@@H]1CCCN(CCOCCC(C)C)C1=O ZINC000071036714 176026093 /nfs/dbraw/zinc/02/60/93/176026093.db2.gz UFVUAQCFKZQSPB-CQSZACIVSA-N 1 0 270.417 2.040 10 0 CEAERO CC[NH2+][C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000071042054 176028451 /nfs/dbraw/zinc/02/84/51/176028451.db2.gz ADURAVXWMVPLPH-ZDUSSCGKSA-N 1 0 268.307 2.065 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCCN1[C@@H]1CCOc2ccccc21 ZINC000071043273 176028991 /nfs/dbraw/zinc/02/89/91/176028991.db2.gz HOOOMIAMXBDNSD-HUUCEWRRSA-N 1 0 286.375 2.253 10 0 CEAERO [NH3+]CCCN(C[C@H]1OCCc2ccccc21)C1CC1 ZINC000071044749 176029595 /nfs/dbraw/zinc/02/95/95/176029595.db2.gz DALLTXMRSLJKBO-MRXNPFEDSA-N 1 0 260.381 2.114 10 0 CEAERO CCC[NH2+][C@H]1CCCN(Cc2cc(F)ccc2F)C1=O ZINC000071043741 176029618 /nfs/dbraw/zinc/02/96/18/176029618.db2.gz QFXDMNQRKUQFHR-AWEZNQCLSA-N 1 0 282.334 2.455 10 0 CEAERO C[C@H](Cn1ccnc1)[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000071090885 176031528 /nfs/dbraw/zinc/03/15/28/176031528.db2.gz FXXVMILERCASHJ-CJNGLKHVSA-N 1 0 271.364 2.175 10 0 CEAERO C[NH2+][C@H](C)c1cnn(C[C@@H]2OCCc3ccccc32)c1 ZINC000071098993 176032560 /nfs/dbraw/zinc/03/25/60/176032560.db2.gz TXPNDZMTNOZIHP-WBMJQRKESA-N 1 0 271.364 2.478 10 0 CEAERO CCC(CC)[C@H]([NH3+])c1ccc2c(c1)C(=O)N(C)C(=O)C2 ZINC000071139383 176038103 /nfs/dbraw/zinc/03/81/03/176038103.db2.gz UVFJPASGIVNOBF-HNNXBMFYSA-N 1 0 274.364 2.277 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cccc(Br)c2)C1 ZINC000071139995 176038320 /nfs/dbraw/zinc/03/83/20/176038320.db2.gz KBNDFAVGOMFOKT-GFCCVEGCSA-N 1 0 297.196 2.225 10 0 CEAERO CC[C@H]1CCCC[C@@]1(C[NH3+])N1CC[N@H+](C)C(C)(C)C1 ZINC000071162260 176045965 /nfs/dbraw/zinc/04/59/65/176045965.db2.gz ACZRNAHRAHNJOE-HOCLYGCPSA-N 1 0 267.461 2.310 10 0 CEAERO CCOC(=O)[C@@]1(N2CCC[NH2+]CC2)CCCC[C@@H]1CC ZINC000071162683 176046808 /nfs/dbraw/zinc/04/68/08/176046808.db2.gz UKSLZGMGHSDCCG-GOEBONIOSA-N 1 0 282.428 2.184 10 0 CEAERO CC[C@H]1CCCC[C@]1(CO)[NH2+]CCN(CC)CC ZINC000071163602 176047147 /nfs/dbraw/zinc/04/71/47/176047147.db2.gz WCOPZYMJWZNUDR-LSDHHAIUSA-N 1 0 256.434 2.249 10 0 CEAERO CC(C)Oc1cncc(N[C@@H]2c3ccccc3C[C@@H]2[NH3+])n1 ZINC000071177445 176055425 /nfs/dbraw/zinc/05/54/25/176055425.db2.gz NGLIXTNRMJOZAI-XJKSGUPXSA-N 1 0 284.363 2.300 10 0 CEAERO CC[C@H]([NH3+])Cc1ccc(O[C@H]2CCN(C)C2=O)c(Cl)c1 ZINC000071184857 176059903 /nfs/dbraw/zinc/05/99/03/176059903.db2.gz FGPOGPFSMYBGLS-FZMZJTMJSA-N 1 0 296.798 2.229 10 0 CEAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1ccc2c(c1)CCCN2 ZINC000071189753 176065475 /nfs/dbraw/zinc/06/54/75/176065475.db2.gz LJRCTJSTABCQGB-ZDUSSCGKSA-N 1 0 287.407 2.068 10 0 CEAERO CN(C[C@@H]1CC[N@H+](C)C1)c1ccc(C(N)=S)cc1Cl ZINC000071190388 176067085 /nfs/dbraw/zinc/06/70/85/176067085.db2.gz JUYFYHJKOOPCIT-SNVBAGLBSA-N 1 0 297.855 2.362 10 0 CEAERO Cc1ccc(C(=O)CC[N@@H+](C)C[C@@H]2CCN(C)C2)cc1 ZINC000071191224 176069436 /nfs/dbraw/zinc/06/94/36/176069436.db2.gz LPKWPZKBDAJKSO-OAHLLOKOSA-N 1 0 274.408 2.451 10 0 CEAERO CC(=O)c1ccc(NC(=O)N(C)C[C@H]2CC[N@H+](C)C2)cc1 ZINC000071193042 176075508 /nfs/dbraw/zinc/07/55/08/176075508.db2.gz JCEJNANAPRDOFU-ZDUSSCGKSA-N 1 0 289.379 2.305 10 0 CEAERO CCC[C@@H](Cn1cc(C(F)(F)F)ccc1=O)[NH2+]C ZINC000071211950 176083870 /nfs/dbraw/zinc/08/38/70/176083870.db2.gz PNLZUUFNOQXTDF-JTQLQIEISA-N 1 0 262.275 2.255 10 0 CEAERO COCCN(CCC[NH3+])c1c(F)c(F)c(F)c(F)c1F ZINC000071223607 176088471 /nfs/dbraw/zinc/08/84/71/176088471.db2.gz NMDDTGGDYZVLSU-UHFFFAOYSA-N 1 0 298.255 2.184 10 0 CEAERO COC[C@@H](O)C[NH2+][C@@H](C)c1c(C)cc(C)cc1C ZINC000071266132 176099932 /nfs/dbraw/zinc/09/99/32/176099932.db2.gz HOINHHQPJHLTPQ-KBPBESRZSA-N 1 0 251.370 2.270 10 0 CEAERO Cn1ccnc1C[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000071274099 176105803 /nfs/dbraw/zinc/10/58/03/176105803.db2.gz ZTBVZLIABPEJCX-LBPRGKRZSA-N 1 0 299.296 2.262 10 0 CEAERO CCOC(=O)CCCCC[N@H+](CCCOC)CCOC ZINC000071293221 176110996 /nfs/dbraw/zinc/11/09/96/176110996.db2.gz DYUIOGZIEJHQJU-UHFFFAOYSA-N 1 0 289.416 2.095 10 0 CEAERO CCOC(=O)CCCCC[N@@H+]1CCC[C@H]1CCCO ZINC000071293388 176111535 /nfs/dbraw/zinc/11/15/35/176111535.db2.gz SSMLHSJXMTUUFL-AWEZNQCLSA-N 1 0 271.401 2.347 10 0 CEAERO COc1ccc([C@H]2C[NH2+]C[C@H](C3CC3)O2)cc1OC ZINC000071308850 176116205 /nfs/dbraw/zinc/11/62/05/176116205.db2.gz QAVZBLLPYGUBNF-HUUCEWRRSA-N 1 0 263.337 2.143 10 0 CEAERO CCN(C(=O)c1cccc2cccnc21)[C@@H]1CC[NH2+]C1 ZINC000071312471 176119270 /nfs/dbraw/zinc/11/92/70/176119270.db2.gz DIKQAUFDDDYICG-CYBMUJFWSA-N 1 0 269.348 2.059 10 0 CEAERO CCN(c1nc2ccccc2nc1C)[C@H]1CC[NH2+]C1 ZINC000071314269 176121154 /nfs/dbraw/zinc/12/11/54/176121154.db2.gz XKUNBGHUOKBSAO-LBPRGKRZSA-N 1 0 256.353 2.126 10 0 CEAERO CCCN(c1cc(Cl)ccc1C(N)=O)[C@H]1CC[NH2+]C1 ZINC000071332419 176125660 /nfs/dbraw/zinc/12/56/60/176125660.db2.gz PCPPGWOHHMSONK-NSHDSACASA-N 1 0 281.787 2.017 10 0 CEAERO Cn1nccc1CNC1=[NH+]C[C@@H](c2ccccc2)S1 ZINC000071334604 176126556 /nfs/dbraw/zinc/12/65/56/176126556.db2.gz WSXXDXYCCVKNGK-ZDUSSCGKSA-N 1 0 272.377 2.354 10 0 CEAERO C[C@@H]1CCC[NH2+][C@H]1CNC(=O)c1ccc(F)cc1F ZINC000071338526 176128630 /nfs/dbraw/zinc/12/86/30/176128630.db2.gz HGHASIRVDRYBHV-RNCFNFMXSA-N 1 0 268.307 2.083 10 0 CEAERO Cc1ccc(F)c(C(=O)NC[C@@H]2[NH2+]CCC[C@@H]2C)c1 ZINC000071338823 176128951 /nfs/dbraw/zinc/12/89/51/176128951.db2.gz FXZIEEWHXODINJ-FZMZJTMJSA-N 1 0 264.344 2.252 10 0 CEAERO C[C@H]1CCC[NH2+][C@H]1CNC(=O)c1ccc2c(c1)CCC2 ZINC000071338675 176129068 /nfs/dbraw/zinc/12/90/68/176129068.db2.gz PCCQEPCPIUSWPX-LRDDRELGSA-N 1 0 272.392 2.293 10 0 CEAERO Cc1ccc(C)c(C(=O)NC[C@@H]2[NH2+]CCC[C@H]2C)c1 ZINC000071338681 176129154 /nfs/dbraw/zinc/12/91/54/176129154.db2.gz IDOUKOUKZCRAMV-HIFRSBDPSA-N 1 0 260.381 2.421 10 0 CEAERO COCCC[N@@H+]1C[C@H](Cc2ccccc2)NC[C@@H]1C1CC1 ZINC000071353125 176135615 /nfs/dbraw/zinc/13/56/15/176135615.db2.gz SKXQAEPFVPUGSA-ZWKOTPCHSA-N 1 0 288.435 2.318 10 0 CEAERO CC1(C)C[NH2+][C@H](Cc2ccccc2)CN1C[C@@H]1CCCO1 ZINC000071353259 176135987 /nfs/dbraw/zinc/13/59/87/176135987.db2.gz IKQLWNMKHUWMBI-SJORKVTESA-N 1 0 288.435 2.461 10 0 CEAERO CC[C@H](C)[C@@H]1CN(Cc2cnn(C)c2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000071356399 176136845 /nfs/dbraw/zinc/13/68/45/176136845.db2.gz ZVQIIESCCDCZEV-RRQGHBQHSA-N 1 0 290.455 2.409 10 0 CEAERO CC[C@@H](C)[C@H]1C[NH2+][C@@](C)(CC)CN1CCOCCOC ZINC000071357146 176137870 /nfs/dbraw/zinc/13/78/70/176137870.db2.gz UAQRCKWRMYIQEL-OAGGEKHMSA-N 1 0 286.460 2.138 10 0 CEAERO COCCOCCN1CC2(CCCC2)[NH2+]C[C@@]1(C)C1CC1 ZINC000071359204 176137991 /nfs/dbraw/zinc/13/79/91/176137991.db2.gz FGCZFYKNLBFFGY-INIZCTEOSA-N 1 0 296.455 2.036 10 0 CEAERO CCn1c(C[NH3+])nnc1SCCc1ccccc1 ZINC000071374659 176139660 /nfs/dbraw/zinc/13/96/60/176139660.db2.gz KQPCBCXKVVLQHV-UHFFFAOYSA-N 1 0 262.382 2.092 10 0 CEAERO CC(C)Cn1ccnc(NCC[N@H+](C)C2CCCC2)c1=O ZINC000071377588 176142687 /nfs/dbraw/zinc/14/26/87/176142687.db2.gz ZZVOQJISNVEMKB-UHFFFAOYSA-N 1 0 292.427 2.186 10 0 CEAERO C[C@@H]1c2ccsc2CC[N@H+]1CCn1ccc(N)n1 ZINC000071378163 176142744 /nfs/dbraw/zinc/14/27/44/176142744.db2.gz RFXOMKZMCBVERS-SNVBAGLBSA-N 1 0 262.382 2.146 10 0 CEAERO C[N@H+](CCNc1ccc(Cl)nn1)C1CCCC1 ZINC000071377631 176142923 /nfs/dbraw/zinc/14/29/23/176142923.db2.gz JXVADQDAVGQQRJ-UHFFFAOYSA-N 1 0 254.765 2.416 10 0 CEAERO C[N@H+](CCNc1nccn(C(C)(C)C)c1=O)C1CCCC1 ZINC000071377531 176142966 /nfs/dbraw/zinc/14/29/66/176142966.db2.gz SIUXTXUOEHEYAH-UHFFFAOYSA-N 1 0 292.427 2.285 10 0 CEAERO C[N@H+](CCNc1cc(Cl)ncn1)C1CCCC1 ZINC000071379830 176144163 /nfs/dbraw/zinc/14/41/63/176144163.db2.gz QXNLHILAMATTGJ-UHFFFAOYSA-N 1 0 254.765 2.416 10 0 CEAERO COC(=O)c1cc(N)ccc1NCC[N@H+](C)C1CCCC1 ZINC000071379955 176144347 /nfs/dbraw/zinc/14/43/47/176144347.db2.gz TZUUIRYRXRVWDL-UHFFFAOYSA-N 1 0 291.395 2.342 10 0 CEAERO COCCN(c1nc2ccccc2cc1C(N)=[NH2+])C1CC1 ZINC000071390164 176148447 /nfs/dbraw/zinc/14/84/47/176148447.db2.gz OOIFSLFWEWDCLY-UHFFFAOYSA-N 1 0 284.363 2.134 10 0 CEAERO NC(=[NH2+])c1cc2ccccc2nc1Sc1ccncn1 ZINC000071390494 176148500 /nfs/dbraw/zinc/14/85/00/176148500.db2.gz ZDSZKQQUKBBIHH-UHFFFAOYSA-N 1 0 281.344 2.460 10 0 CEAERO Nc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000071395961 176149784 /nfs/dbraw/zinc/14/97/84/176149784.db2.gz ZUQCEQHGMLIOKO-JTQLQIEISA-N 1 0 293.798 2.136 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(N)c(Cl)c1 ZINC000071394895 176149822 /nfs/dbraw/zinc/14/98/22/176149822.db2.gz MIZYRFZIHUAUCT-NSHDSACASA-N 1 0 281.787 2.136 10 0 CEAERO CC(C)n1cc(Cl)cc1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000071396967 176149985 /nfs/dbraw/zinc/14/99/85/176149985.db2.gz MRMBOVBLQJJQMW-NSHDSACASA-N 1 0 269.776 2.204 10 0 CEAERO C[NH2+]Cc1ccc(OC[C@@H](C)O)c(C(F)(F)F)c1 ZINC000071398524 176151808 /nfs/dbraw/zinc/15/18/08/176151808.db2.gz WUEBYSIVMKIMTB-MRVPVSSYSA-N 1 0 263.259 2.184 10 0 CEAERO Cc1cc(NC(=O)CC[C@@H]([NH3+])c2ccccc2)on1 ZINC000071400000 176152380 /nfs/dbraw/zinc/15/23/80/176152380.db2.gz AMMBKLQKLVCBGH-GFCCVEGCSA-N 1 0 259.309 2.402 10 0 CEAERO [NH3+][C@H](CCC(=O)N(CCO)C1CCCC1)c1ccccc1 ZINC000071400829 176152937 /nfs/dbraw/zinc/15/29/37/176152937.db2.gz VZGYQXFPGGPQHM-MRXNPFEDSA-N 1 0 290.407 2.230 10 0 CEAERO CN(CCC[C@H]([NH3+])c1ccccc1)Cc1nccn1C ZINC000071402089 176154062 /nfs/dbraw/zinc/15/40/62/176154062.db2.gz BPYQFLXYMPVIQZ-HNNXBMFYSA-N 1 0 272.396 2.332 10 0 CEAERO CCC[NH2+]Cc1cc(C)ccc1OCC(=O)NCC ZINC000071406360 176155648 /nfs/dbraw/zinc/15/56/48/176155648.db2.gz QIXAGJBINQXXDB-UHFFFAOYSA-N 1 0 264.369 2.010 10 0 CEAERO CNC(=O)[C@@H](C)Oc1ccc(C)cc1C[NH2+]C(C)(C)C ZINC000071407175 176156155 /nfs/dbraw/zinc/15/61/55/176156155.db2.gz FNWVTJOKSWVTRJ-GFCCVEGCSA-N 1 0 278.396 2.396 10 0 CEAERO Cc1nccn1CCOc1ccc(C)cc1C[C@H](C)[NH3+] ZINC000071411844 176157472 /nfs/dbraw/zinc/15/74/72/176157472.db2.gz CBKRCFHFPILBKP-ZDUSSCGKSA-N 1 0 273.380 2.469 10 0 CEAERO CC[C@H]([NH3+])Cc1cc(C)ccc1OCC(=O)NCC(C)C ZINC000071412346 176157591 /nfs/dbraw/zinc/15/75/91/176157591.db2.gz OFWZJTBJCXUONS-HNNXBMFYSA-N 1 0 292.423 2.426 10 0 CEAERO CC[C@@H](C(=O)N[C@H]1C[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000071412630 176157789 /nfs/dbraw/zinc/15/77/89/176157789.db2.gz NEJQEYWWCVQCCE-CFVMTHIKSA-N 1 0 260.381 2.294 10 0 CEAERO CN1CC[NH2+][C@@H](c2cc(Br)cs2)C1 ZINC000071587282 176214916 /nfs/dbraw/zinc/21/49/16/176214916.db2.gz QYXIHLCBGGLAJZ-MRVPVSSYSA-N 1 0 261.188 2.087 10 0 CEAERO COc1ccc([C@@](C)(O)[C@H]2CCC[NH2+]C2)cc1F ZINC000071574646 176201357 /nfs/dbraw/zinc/20/13/57/176201357.db2.gz BCSGWDWZDIKELU-SMDDNHRTSA-N 1 0 253.317 2.041 10 0 CEAERO [NH3+]Cc1[nH]cnc1-c1cc(Br)cs1 ZINC000071583613 176208162 /nfs/dbraw/zinc/20/81/62/176208162.db2.gz WRJMBNZGBNGUJE-UHFFFAOYSA-N 1 0 258.144 2.359 10 0 CEAERO CC(C)[NH2+]C[C@H](O)Cc1ccc(Br)cc1 ZINC000071611511 176231952 /nfs/dbraw/zinc/23/19/52/176231952.db2.gz LUFVNIPSNBYTSN-GFCCVEGCSA-N 1 0 272.186 2.351 10 0 CEAERO COc1ccc([C@H]2Cc3n[nH]c(C)c3[C@@H]([NH3+])C2)cc1OC ZINC000072415416 176399451 /nfs/dbraw/zinc/39/94/51/176399451.db2.gz NUVJZRAIFHMHDR-NEPJUHHUSA-N 1 0 287.363 2.465 10 0 CEAERO CCc1nsc(N2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000656608706 415784021 /nfs/dbraw/zinc/78/40/21/415784021.db2.gz MJPIDLXOHCZUQE-LBPRGKRZSA-N 1 0 280.441 2.317 10 0 CEAERO Cc1csc2c1ncnc2N(C)CC(C)(C)[NH3+] ZINC000656608711 415785275 /nfs/dbraw/zinc/78/52/75/415785275.db2.gz HIGPLTFXCZNUMU-UHFFFAOYSA-N 1 0 250.371 2.173 10 0 CEAERO FC(F)(F)c1cc(N[C@@H]2CCC[NH2+]C2)nc(Cl)n1 ZINC000073735412 176489340 /nfs/dbraw/zinc/48/93/40/176489340.db2.gz HRISWSWXPWCTEH-ZCFIWIBFSA-N 1 0 280.681 2.313 10 0 CEAERO CC[C@H]([NH2+]C)C(=O)N[C@@H](C)c1cc(F)ccc1F ZINC000662378572 415813119 /nfs/dbraw/zinc/81/31/19/415813119.db2.gz AESCKCMOVKXBQH-UFBFGSQYSA-N 1 0 256.296 2.140 10 0 CEAERO CO[C@@H](CNC(=O)[C@@]1(C)CCCC[NH2+]1)C1CCCCC1 ZINC000662733765 415947125 /nfs/dbraw/zinc/94/71/25/415947125.db2.gz MWQYYSJLXNVSPG-GOEBONIOSA-N 1 0 282.428 2.230 10 0 CEAERO C[NH2+][C@H](C)C(=O)N1CCC[C@@H](C2CCCCC2)C1 ZINC000662741512 415950845 /nfs/dbraw/zinc/95/08/45/415950845.db2.gz MGUNVKGJKNHXLG-TZMCWYRMSA-N 1 0 252.402 2.413 10 0 CEAERO C[NH2+]CCC(=O)N[C@H](C)c1cc(Cl)ccc1OC ZINC000076408964 177019963 /nfs/dbraw/zinc/01/99/63/177019963.db2.gz NYXJMAQBQRNHRL-SECBINFHSA-N 1 0 270.760 2.135 10 0 CEAERO CN(CC[NH3+])CCCc1cccc(Br)c1 ZINC000076409624 177020073 /nfs/dbraw/zinc/02/00/73/177020073.db2.gz DSJMBPJEHKQTKI-UHFFFAOYSA-N 1 0 271.202 2.272 10 0 CEAERO CC(C)Oc1ccccc1NC(=O)[C@H](C)CC[NH3+] ZINC000076654596 177044327 /nfs/dbraw/zinc/04/43/27/177044327.db2.gz ZBNFWBDGYGWNKL-LLVKDONJSA-N 1 0 250.342 2.397 10 0 CEAERO CCCCN(C(=O)C[NH3+])c1cc(C)ccc1OC ZINC000076654913 177044800 /nfs/dbraw/zinc/04/48/00/177044800.db2.gz OAXDTHRCSUJXMM-UHFFFAOYSA-N 1 0 250.342 2.095 10 0 CEAERO CC(C)NC(=O)[C@@H](CCC[NH3+])c1ccc(F)cc1 ZINC000076656677 177045819 /nfs/dbraw/zinc/04/58/19/177045819.db2.gz WYWPVJQYMYLMPY-ZDUSSCGKSA-N 1 0 252.333 2.173 10 0 CEAERO COc1ccc(NC(=O)[C@H](C)CC[NH3+])cc1Cl ZINC000076663458 177050115 /nfs/dbraw/zinc/05/01/15/177050115.db2.gz YMPHCTOREOOBBC-MRVPVSSYSA-N 1 0 256.733 2.272 10 0 CEAERO [NH3+]CCN(Cc1ccncc1)Cc1ccc(F)cc1 ZINC000076668734 177052550 /nfs/dbraw/zinc/05/25/50/177052550.db2.gz VTLMFFHHBLRJFE-UHFFFAOYSA-N 1 0 259.328 2.182 10 0 CEAERO COc1cc(C)ccc1OC[C@H](C[NH3+])c1cc[nH]c1 ZINC000076670760 177053914 /nfs/dbraw/zinc/05/39/14/177053914.db2.gz WWDDYQJBIVRUSV-ZDUSSCGKSA-N 1 0 260.337 2.453 10 0 CEAERO CC(=O)c1ccc(NC(=O)C[C@H](C[NH3+])C(C)C)cc1 ZINC000076674808 177055725 /nfs/dbraw/zinc/05/57/25/177055725.db2.gz ZYMRDIUDZSGJFW-CYBMUJFWSA-N 1 0 262.353 2.449 10 0 CEAERO CCCCN(C(=O)C[NH3+])c1cc(Cl)ccc1OC ZINC000076710759 177067984 /nfs/dbraw/zinc/06/79/84/177067984.db2.gz OSIIUGALRICHGX-UHFFFAOYSA-N 1 0 270.760 2.440 10 0 CEAERO CCC(=O)NCC[NH+]1CCC(c2cccs2)CC1 ZINC000077103883 177223939 /nfs/dbraw/zinc/22/39/39/177223939.db2.gz RHHDNOUXVDIXJI-UHFFFAOYSA-N 1 0 266.410 2.454 10 0 CEAERO CCCOc1ccc(C[NH2+]CC(=O)NCC(C)C)cc1 ZINC000077170709 177229507 /nfs/dbraw/zinc/22/95/07/177229507.db2.gz ZIAVJYLDZCRAQS-UHFFFAOYSA-N 1 0 278.396 2.337 10 0 CEAERO CC(C)(C)OC[C@H](O)C[NH2+][C@@](C)(CO)C1CCCCC1 ZINC000077656072 177291423 /nfs/dbraw/zinc/29/14/23/177291423.db2.gz LIVPVRWEUBXQLS-ZBFHGGJFSA-N 1 0 287.444 2.083 10 0 CEAERO C[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1)C(=O)NC1CC1 ZINC000078525190 177350168 /nfs/dbraw/zinc/35/01/68/177350168.db2.gz XMMXHNLABNSZSC-RKDXNWHRSA-N 1 0 268.307 2.283 10 0 CEAERO COc1ccc(C(C)=O)cc1C[N@H+](C)CC(C)(C)O ZINC000078778413 177386618 /nfs/dbraw/zinc/38/66/18/177386618.db2.gz UKHRCJYNLDSMEH-UHFFFAOYSA-N 1 0 265.353 2.101 10 0 CEAERO C[C@H](O)c1ccc(N(C)CC[NH+](C)C)cc1Cl ZINC000078944828 177408298 /nfs/dbraw/zinc/40/82/98/177408298.db2.gz CNPLXRSNFCETTR-JTQLQIEISA-N 1 0 256.777 2.391 10 0 CEAERO Cc1ccc2n1CCN(C(=O)CC[C@H](C)CC[NH3+])[C@@H]2C ZINC000079118193 177436198 /nfs/dbraw/zinc/43/61/98/177436198.db2.gz GXMIIGYZTZSLBY-GXTWGEPZSA-N 1 0 277.412 2.465 10 0 CEAERO CCOc1ccc(NC(=O)CC[C@@H](C)CC[NH3+])cc1CO ZINC000079118882 177436884 /nfs/dbraw/zinc/43/68/84/177436884.db2.gz VNUUCPMABRIKBR-GFCCVEGCSA-N 1 0 294.395 2.281 10 0 CEAERO CC[C@H](CC[NH3+])CCC(=O)N=c1[nH]c2ccccc2[nH]1 ZINC000079213437 177449104 /nfs/dbraw/zinc/44/91/04/177449104.db2.gz PULIGSZXAWSUQE-NSHDSACASA-N 1 0 274.368 2.079 10 0 CEAERO COc1cccc([C@@H]([NH3+])CN2CC[C@@H](C)CCC2=O)c1 ZINC000079245967 177456051 /nfs/dbraw/zinc/45/60/51/177456051.db2.gz JBKTYYZKNGTTKY-WFASDCNBSA-N 1 0 276.380 2.344 10 0 CEAERO CC(C)[C@H](CC[NH3+])CCC(=O)OC1CCOCC1 ZINC000079252001 177458150 /nfs/dbraw/zinc/45/81/50/177458150.db2.gz IOPKDZHPTPOLBY-LBPRGKRZSA-N 1 0 257.374 2.110 10 0 CEAERO CC(C)[C@H](CC[NH3+])CCC(=O)NCCc1cccnc1 ZINC000079276491 177461195 /nfs/dbraw/zinc/46/11/95/177461195.db2.gz NARCSNSVYLMAPG-HNNXBMFYSA-N 1 0 277.412 2.142 10 0 CEAERO C[C@@]1(C(=O)N(Cc2cccs2)C2CC2)CCC[NH2+]1 ZINC000079517063 177512516 /nfs/dbraw/zinc/51/25/16/177512516.db2.gz TYKLHOIDKCDOMU-AWEZNQCLSA-N 1 0 264.394 2.381 10 0 CEAERO C[C@@H](c1cccs1)N(C)C(=O)[C@]1(C)CCC[NH2+]1 ZINC000079518059 177513470 /nfs/dbraw/zinc/51/34/70/177513470.db2.gz CDKSKCPOIPKYMP-GWCFXTLKSA-N 1 0 252.383 2.410 10 0 CEAERO CC1CCC(OC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])CC1 ZINC000079566227 177521232 /nfs/dbraw/zinc/52/12/32/177521232.db2.gz HGINXNRHURWRBY-RXFXENDJSA-N 1 0 251.370 2.482 10 0 CEAERO Cc1nn(C[C@H]2CC[C@@H](C[NH2+]C3CC3)O2)cc1Cl ZINC000080018018 177597007 /nfs/dbraw/zinc/59/70/07/177597007.db2.gz YFOHBTKTZGSSDU-NWDGAFQWSA-N 1 0 269.776 2.145 10 0 CEAERO Cc1c(Cl)cnn1CC[NH2+]Cc1cccnc1 ZINC000080019327 177597209 /nfs/dbraw/zinc/59/72/09/177597209.db2.gz WKOMBSRXROXIDJ-UHFFFAOYSA-N 1 0 250.733 2.030 10 0 CEAERO COCCOCCn1nc(C[NH2+]C(C)C)c2ccccc21 ZINC000080069494 177604462 /nfs/dbraw/zinc/60/44/62/177604462.db2.gz CMGQPSWTQUBWHO-UHFFFAOYSA-N 1 0 291.395 2.197 10 0 CEAERO CC(C)[NH2+]Cc1cccc2c1ccn2CCS(C)(=O)=O ZINC000080080030 177604822 /nfs/dbraw/zinc/60/48/22/177604822.db2.gz DWRMWEBMXHJAFG-UHFFFAOYSA-N 1 0 294.420 2.184 10 0 CEAERO CCNC(=O)[C@H]1C[C@H](c2ccc(OC(C)C)cc2)CC[NH2+]1 ZINC000080099833 177606836 /nfs/dbraw/zinc/60/68/36/177606836.db2.gz VMHMCLOMMNJMCI-GDBMZVCRSA-N 1 0 290.407 2.446 10 0 CEAERO C[C@@H]1C[C@H](C)[C@@H](C(N)=O)[C@@H](c2ccc(F)c(F)c2F)[NH2+]1 ZINC000080107600 177609792 /nfs/dbraw/zinc/60/97/92/177609792.db2.gz YCDZDZXZFRATRV-KSPNNCJPSA-N 1 0 286.297 2.264 10 0 CEAERO C[C@H](NC(=O)C(C)(C)[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000040920044 289806724 /nfs/dbraw/zinc/80/67/24/289806724.db2.gz HOXAHVWFGYEVDP-HXTFMFRQSA-N 1 0 264.413 2.445 10 0 CEAERO C[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000173127342 287365054 /nfs/dbraw/zinc/36/50/54/287365054.db2.gz VVBMNAFNDORATA-UKRRQHHQSA-N 1 0 260.381 2.170 10 0 CEAERO Cc1noc(C)c1[C@H](C)NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000136187318 419440787 /nfs/dbraw/zinc/44/07/87/419440787.db2.gz ZACCRUDDBHCTBZ-LKFCYVNXSA-N 1 0 265.357 2.001 10 0 CEAERO CC(=O)Nc1cc(NC(=O)C[C@@H]([NH3+])C(C)C)ccc1F ZINC000136366502 419444515 /nfs/dbraw/zinc/44/45/15/419444515.db2.gz KEDMGMOLVAJYGH-GFCCVEGCSA-N 1 0 281.331 2.096 10 0 CEAERO CCOc1cc(NC(=O)C[C@@H]([NH3+])C(C)C)ccc1OC ZINC000136359018 419444527 /nfs/dbraw/zinc/44/45/27/419444527.db2.gz KMFOWCOUUOSARO-GFCCVEGCSA-N 1 0 280.368 2.406 10 0 CEAERO COCCOc1cc(C)ccc1NC(=O)C[C@H]([NH3+])C(C)C ZINC000136369972 419444568 /nfs/dbraw/zinc/44/45/68/419444568.db2.gz FLKBDKXSLFLWAO-ZDUSSCGKSA-N 1 0 294.395 2.332 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)Nc1ccccc1-n1ccnc1 ZINC000136323468 419444744 /nfs/dbraw/zinc/44/47/44/419444744.db2.gz WYZNKOGFGFBLTR-GFCCVEGCSA-N 1 0 272.352 2.184 10 0 CEAERO COc1cc(C)c(NC(=O)C[C@H]([NH3+])C(C)C)cc1OC ZINC000136345617 419445227 /nfs/dbraw/zinc/44/52/27/419445227.db2.gz WBKKANMZZHIOFS-NSHDSACASA-N 1 0 280.368 2.324 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H](C)Cc1ccsc1 ZINC000136440589 419448433 /nfs/dbraw/zinc/44/84/33/419448433.db2.gz QOOUNAZQTIVMJQ-JQWIXIFHSA-N 1 0 254.399 2.169 10 0 CEAERO COC[C@@H](C)C[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C ZINC000187875264 261788441 /nfs/dbraw/zinc/78/84/41/261788441.db2.gz PONFRJQFZOLZNA-NWDGAFQWSA-N 1 0 274.405 2.162 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@H](C[NH3+])[C@H]1c1cccnc1 ZINC000096980632 265398383 /nfs/dbraw/zinc/39/83/83/265398383.db2.gz CFEYMEPCXVSBOI-YPMHNXCESA-N 1 0 277.368 2.338 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](c2nc(-c3cccc(Cl)c3)no2)C1 ZINC000037330639 270225346 /nfs/dbraw/zinc/22/53/46/270225346.db2.gz VXHCSBXMEBANAE-GHMZBOCLSA-N 1 0 279.727 2.439 10 0 CEAERO COc1ccc([C@H](C)C[NH2+]Cc2cc(C(N)=O)co2)cc1 ZINC000189417753 270261965 /nfs/dbraw/zinc/26/19/65/270261965.db2.gz QWPYFHBHRLGXFH-LLVKDONJSA-N 1 0 288.347 2.280 10 0 CEAERO CCN(CCC[NH+](CC)CC)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000190128214 270267400 /nfs/dbraw/zinc/26/74/00/270267400.db2.gz QLWZEWRKFUWDHD-LSDHHAIUSA-N 1 0 299.459 2.317 10 0 CEAERO C[C@H]([NH2+]C[C@@H](O)C1CCC1)c1nc2ccccc2n1C ZINC000316693677 270334681 /nfs/dbraw/zinc/33/46/81/270334681.db2.gz DIVYYUJHSHCRKZ-XHDPSFHLSA-N 1 0 273.380 2.385 10 0 CEAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000392859793 270341378 /nfs/dbraw/zinc/34/13/78/270341378.db2.gz IRGWEUBQJMLIIB-IAQYHMDHSA-N 1 0 258.365 2.321 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)NCC1(C2CC2)CCC1 ZINC000393334356 270342476 /nfs/dbraw/zinc/34/24/76/270342476.db2.gz XEZXIVBCJGSFML-GFCCVEGCSA-N 1 0 250.386 2.073 10 0 CEAERO CCc1nc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)cs1 ZINC000398732291 270362050 /nfs/dbraw/zinc/36/20/50/270362050.db2.gz LRZNTVGYQVMEGJ-GMXVVIOVSA-N 1 0 266.410 2.298 10 0 CEAERO C[C@H]1CN(C(=O)CCSc2ccc(F)cc2)C[C@@H]1[NH3+] ZINC000423940107 270988119 /nfs/dbraw/zinc/98/81/19/270988119.db2.gz BNYVEXPLBGKBAQ-GWCFXTLKSA-N 1 0 282.384 2.114 10 0 CEAERO COCC(C)(C)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000426408710 271219733 /nfs/dbraw/zinc/21/97/33/271219733.db2.gz CAOJBHUIOZKRRS-DZGCQCFKSA-N 1 0 255.402 2.286 10 0 CEAERO COCC[N@@H+]1CC[C@H]2CN(Cc3ccccc3F)C[C@@H]2C1 ZINC000503716567 274033573 /nfs/dbraw/zinc/03/35/73/274033573.db2.gz HLONYWFVFKSJIE-HOCLYGCPSA-N 1 0 292.398 2.226 10 0 CEAERO COc1ccccc1NC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000234904821 274161873 /nfs/dbraw/zinc/16/18/73/274161873.db2.gz BGCOBURJCJTMEE-VXGBXAGGSA-N 1 0 277.368 2.286 10 0 CEAERO CSc1nc2c(c(C(F)(F)F)n1)C[C@H]([NH3+])CC2 ZINC000043464161 274189385 /nfs/dbraw/zinc/18/93/85/274189385.db2.gz GESBTEPNJDUDJH-RXMQYKEDSA-N 1 0 263.288 2.033 10 0 CEAERO Cc1nc(N2C[C@@H](C)[NH2+]C[C@@H]2C)ccc1Br ZINC000235408516 274842912 /nfs/dbraw/zinc/84/29/12/274842912.db2.gz RAGYDGSKJKTTCV-BDAKNGLRSA-N 1 0 284.201 2.339 10 0 CEAERO FC(F)(F)c1cc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)ccn1 ZINC000261573496 274906418 /nfs/dbraw/zinc/90/64/18/274906418.db2.gz ARIYPOXYEOLIOP-MWLCHTKSSA-N 1 0 271.286 2.289 10 0 CEAERO OC[C@H]1CCC[N@@H+]1C[C@H]1CCCN1c1ccc(Cl)cn1 ZINC000301713955 275049866 /nfs/dbraw/zinc/04/98/66/275049866.db2.gz JAOOYRKVMNFZDW-ZIAGYGMSSA-N 1 0 295.814 2.161 10 0 CEAERO O[C@H]1CCCN(C[C@@H]2CCC[NH2+]C2)c2ccc(F)cc21 ZINC000262044248 275058621 /nfs/dbraw/zinc/05/86/21/275058621.db2.gz YTTXRWIXIZVXPF-WBMJQRKESA-N 1 0 278.371 2.459 10 0 CEAERO CC(C)C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccccn1 ZINC000180495026 275588025 /nfs/dbraw/zinc/58/80/25/275588025.db2.gz JMWBITDVNFKGIG-GDBMZVCRSA-N 1 0 277.412 2.089 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)Nc1ccccc1F ZINC000175348228 276182676 /nfs/dbraw/zinc/18/26/76/276182676.db2.gz FFLMDJHOTSLATQ-ZDUSSCGKSA-N 1 0 293.386 2.180 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)N1Cc2ccccc2C(C)(C)C1 ZINC000262530433 276270921 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ZINC000261995568 277266268 /nfs/dbraw/zinc/26/62/68/277266268.db2.gz NNCINKNDLQWVLP-UHFFFAOYSA-N 1 0 264.417 2.286 10 0 CEAERO CC(C)C1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)CC1 ZINC000261961560 277337786 /nfs/dbraw/zinc/33/77/86/277337786.db2.gz PPWVGXYCHKIEFN-KFWWJZLASA-N 1 0 266.429 2.169 10 0 CEAERO CC(C)CCNC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000079072291 277355439 /nfs/dbraw/zinc/35/54/39/277355439.db2.gz LVQDFMVJKIAZLX-ZDUSSCGKSA-N 1 0 257.422 2.308 10 0 CEAERO COc1ccc([C@H]([NH2+]C[C@@H]2CN(C)CCO2)C(C)C)cc1 ZINC000180163452 277429687 /nfs/dbraw/zinc/42/96/87/277429687.db2.gz XPKJYQHUCZOMEY-IAGOWNOFSA-N 1 0 292.423 2.313 10 0 CEAERO COc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCc2ncnn2C1 ZINC000180585786 277952015 /nfs/dbraw/zinc/95/20/15/277952015.db2.gz LSJHIXPRVDTFIE-XJKSGUPXSA-N 1 0 298.390 2.269 10 0 CEAERO C[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000249655272 278051357 /nfs/dbraw/zinc/05/13/57/278051357.db2.gz VJTHWSNNGWHHBR-JYJNAYRXSA-N 1 0 294.439 2.136 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1cc2c(s1)CCCC2 ZINC000261560331 278098869 /nfs/dbraw/zinc/09/88/69/278098869.db2.gz FHGZAJKKSHWIBH-MWLCHTKSSA-N 1 0 264.394 2.189 10 0 CEAERO C[C@@H](C[NH2+][C@H]1c2ccccc2C[C@H]1C)N1CCOCC1 ZINC000247183685 278287445 /nfs/dbraw/zinc/28/74/45/278287445.db2.gz VJWMWXDZYLXRTL-JKIFEVAISA-N 1 0 274.408 2.230 10 0 CEAERO C[C@@H]1CC[NH2+][C@H](C(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000253163172 278570228 /nfs/dbraw/zinc/57/02/28/278570228.db2.gz WOMIHCURSSHQDP-XBFCOCLRSA-N 1 0 274.364 2.015 10 0 CEAERO Cc1cc(F)ccc1C(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000235655496 278700201 /nfs/dbraw/zinc/70/02/01/278700201.db2.gz GEEXYEAHSNNEPE-GXFFZTMASA-N 1 0 264.344 2.334 10 0 CEAERO C[C@@H]1C[C@@H](C[NH3+])CN1c1cncc(Br)c1 ZINC000261532083 278890997 /nfs/dbraw/zinc/89/09/97/278890997.db2.gz JATXJPUCAYALKU-BDAKNGLRSA-N 1 0 270.174 2.018 10 0 CEAERO CCC[C@H](C(=O)N1CCOC2(CCCCC2)C1)[NH+](C)C ZINC000179453599 278919552 /nfs/dbraw/zinc/91/95/52/278919552.db2.gz PTDYWGQWBWOOPA-CQSZACIVSA-N 1 0 282.428 2.278 10 0 CEAERO CCC[C@H](C(=O)N[C@H](C)c1nc2ccccc2[nH]1)[NH+](C)C ZINC000161553907 278923061 /nfs/dbraw/zinc/92/30/61/278923061.db2.gz YHUCVNPPUGZLIS-BXUZGUMPSA-N 1 0 288.395 2.470 10 0 CEAERO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CCc2ncnn2C1 ZINC000180581008 279022628 /nfs/dbraw/zinc/02/26/28/279022628.db2.gz KXWDDKDAFSUBJO-AXAPSJFSSA-N 1 0 268.364 2.116 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)Cc1cccc(O)c1 ZINC000049560338 279122201 /nfs/dbraw/zinc/12/22/01/279122201.db2.gz YCOXSABRMFOBDA-CQSZACIVSA-N 1 0 278.396 2.027 10 0 CEAERO C[C@H](C(=O)N1CCS[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000173133550 279201554 /nfs/dbraw/zinc/20/15/54/279201554.db2.gz ZYZGTEBLSYXBMV-QWHCGFSZSA-N 1 0 270.442 2.215 10 0 CEAERO C[C@H]([NH2+][C@H]1CC(=O)N(C)c2ccccc21)[C@@H]1CCOC1 ZINC000224165851 279531220 /nfs/dbraw/zinc/53/12/20/279531220.db2.gz CTCOXOUAGGCWEE-SCRDCRAPSA-N 1 0 274.364 2.109 10 0 CEAERO C[C@H]([NH2+][C@H]1Cc2ccccc2[C@@H]1O)c1ccccn1 ZINC000179473079 279553975 /nfs/dbraw/zinc/55/39/75/279553975.db2.gz IYEQBJWXPNYVEJ-UVBJJODRSA-N 1 0 254.333 2.391 10 0 CEAERO CCC[C@H](CC)[NH2+]C[C@@H](O)COCc1ccco1 ZINC000050404308 279635698 /nfs/dbraw/zinc/63/56/98/279635698.db2.gz VPIBTDZVKBWETB-QWHCGFSZSA-N 1 0 255.358 2.325 10 0 CEAERO C[C@H]1CC[C@@H](C(=O)N2CC[NH+](CC3CCCCC3)CC2)O1 ZINC000151001760 279743037 /nfs/dbraw/zinc/74/30/37/279743037.db2.gz VJRTVAZJZGAVCH-HOCLYGCPSA-N 1 0 294.439 2.278 10 0 CEAERO C[C@H]1CN(c2cncc(Br)c2)CC[C@@H]1[NH3+] ZINC000261536445 279886736 /nfs/dbraw/zinc/88/67/36/279886736.db2.gz RSURMPLYISPCQH-KWQFWETISA-N 1 0 270.174 2.018 10 0 CEAERO Cc1cc(C)cc(CCC(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000128437192 279887759 /nfs/dbraw/zinc/88/77/59/279887759.db2.gz JEABNBOLSRGNIB-MRXNPFEDSA-N 1 0 274.408 2.399 10 0 CEAERO CCS(=O)(=O)c1ccc(N2CC[C@H](C)C[C@@H]2C[NH3+])cc1 ZINC000233810332 280031616 /nfs/dbraw/zinc/03/16/16/280031616.db2.gz JMTAOCYXYRLDCD-GXTWGEPZSA-N 1 0 296.436 2.044 10 0 CEAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000282363693 280040329 /nfs/dbraw/zinc/04/03/29/280040329.db2.gz NMBDFOGFJAGPRP-PELKAZGASA-N 1 0 270.735 2.236 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC1CCCC1 ZINC000135581393 280049846 /nfs/dbraw/zinc/04/98/46/280049846.db2.gz CBTIVFYGTODAJZ-CYBMUJFWSA-N 1 0 253.390 2.055 10 0 CEAERO CCO[C@H](CCNC(=O)N[C@@H]1CCC[N@H+](CC)C1)C(C)C ZINC000245431607 280239736 /nfs/dbraw/zinc/23/97/36/280239736.db2.gz OCZOOIMNLGNPKV-HUUCEWRRSA-N 1 0 299.459 2.221 10 0 CEAERO C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246104207 280274130 /nfs/dbraw/zinc/27/41/30/280274130.db2.gz QJXLNFMRDHLERF-LJISPDSOSA-N 1 0 279.428 2.301 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N([C@H](C)C2CC2)C2CC2)C1 ZINC000246160899 280277722 /nfs/dbraw/zinc/27/77/22/280277722.db2.gz KSRMWSUPDTWUMK-OCCSQVGLSA-N 1 0 279.428 2.443 10 0 CEAERO CCc1cc(C)c(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)o1 ZINC000246261729 280283960 /nfs/dbraw/zinc/28/39/60/280283960.db2.gz JPMWJEJNJPHWPC-OLZOCXBDSA-N 1 0 276.380 2.459 10 0 CEAERO O=C1NCCC[C@H]1C[N@@H+]1CCC2(C1)CCCCC2 ZINC000334556022 280287915 /nfs/dbraw/zinc/28/79/15/280287915.db2.gz DSWJBODMEBDYPL-ZDUSSCGKSA-N 1 0 250.386 2.169 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccnc1C ZINC000246543981 280300453 /nfs/dbraw/zinc/30/04/53/280300453.db2.gz KBFHMOACZLGBAA-KGLIPLIRSA-N 1 0 273.380 2.089 10 0 CEAERO CC(C)(C)OC[C@H](O)C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000246611782 280303287 /nfs/dbraw/zinc/30/32/87/280303287.db2.gz LGKIXNLXWZARGD-MELADBBJSA-N 1 0 255.402 2.284 10 0 CEAERO C[C@H](O)CN1CCN(C(=O)[C@@H](C)CC2CCCC2)C[C@@H]1C ZINC000246721474 280308028 /nfs/dbraw/zinc/30/80/28/280308028.db2.gz LKXYCYXELGCLEN-KKUMJFAQSA-N 1 0 296.455 2.116 10 0 CEAERO Cc1cc(Br)cnc1N1CC[C@@H]([NH+](C)C)C1 ZINC000113721915 280311350 /nfs/dbraw/zinc/31/13/50/280311350.db2.gz KDRGSZILLICGSO-LLVKDONJSA-N 1 0 284.201 2.293 10 0 CEAERO Cc1ccccc1CCC[N@H+]1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246960340 280316015 /nfs/dbraw/zinc/31/60/15/280316015.db2.gz OJOLZRJFYRAMSR-SJORKVTESA-N 1 0 290.451 2.315 10 0 CEAERO CCC[C@H](CC)NC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000248449164 280347729 /nfs/dbraw/zinc/34/77/29/280347729.db2.gz IABUTQXXZKQZLD-KKUMJFAQSA-N 1 0 299.459 2.052 10 0 CEAERO CC/C=C/CCN1CC[N@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000248632562 280356114 /nfs/dbraw/zinc/35/61/14/280356114.db2.gz SRLFQCYCRUFXBZ-MFHOCJEASA-N 1 0 254.418 2.120 10 0 CEAERO CC[C@@H]1CN(C(=O)C[C@@H]2CCC[C@H]2C)CC[N@@H+]1C[C@H](C)O ZINC000249011099 280379536 /nfs/dbraw/zinc/37/95/36/280379536.db2.gz OQAJFEOIQJFXAN-FXUDXRNXSA-N 1 0 296.455 2.116 10 0 CEAERO CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CCCNC(=O)[C@H]1C ZINC000249064557 280382075 /nfs/dbraw/zinc/38/20/75/280382075.db2.gz QCIVYXWIMMFCPO-BFHYXJOUSA-N 1 0 250.386 2.189 10 0 CEAERO Cc1cc(C)nc(N2CCC(C3CC[NH2+]CC3)CC2)n1 ZINC000059843465 280456391 /nfs/dbraw/zinc/45/63/91/280456391.db2.gz XAUHXPFFJNLSCG-UHFFFAOYSA-N 1 0 274.412 2.309 10 0 CEAERO Cc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000213228647 280843661 /nfs/dbraw/zinc/84/36/61/280843661.db2.gz WMCTYHUSZLNPIE-LLVKDONJSA-N 1 0 252.745 2.212 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC000423652564 281074418 /nfs/dbraw/zinc/07/44/18/281074418.db2.gz XVAVXSUWKKGZLG-FOGDFJRCSA-N 1 0 278.421 2.435 10 0 CEAERO CC[C@H]1CCC[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000089482146 281086400 /nfs/dbraw/zinc/08/64/00/281086400.db2.gz VBJPHVJOKOTGKB-RFQIPJPRSA-N 1 0 252.402 2.446 10 0 CEAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)CC2 ZINC000282362251 281122858 /nfs/dbraw/zinc/12/28/58/281122858.db2.gz PVIQWIFAOVHSEB-NILFDRSVSA-N 1 0 258.365 2.239 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC1(CC)CC1 ZINC000174959850 281189451 /nfs/dbraw/zinc/18/94/51/281189451.db2.gz PNXQVHXOQDHBJZ-UONOGXRCSA-N 1 0 279.428 2.445 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccnc(F)c1F ZINC000193575858 288310815 /nfs/dbraw/zinc/31/08/15/288310815.db2.gz YUSKAGNRWUJDAT-WDEREUQCSA-N 1 0 295.333 2.059 10 0 CEAERO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCOC[C@@H]2C)C1 ZINC000249163253 281358842 /nfs/dbraw/zinc/35/88/42/281358842.db2.gz ZRSYZQNRQXUUGV-PCBYGDGMSA-N 1 0 273.442 2.081 10 0 CEAERO COc1cc([C@H](C)[NH2+]C[C@@H](C)N2CCOCC2)ccc1F ZINC000152726170 289096158 /nfs/dbraw/zinc/09/61/58/289096158.db2.gz VLTUPQKRMHIMQC-OLZOCXBDSA-N 1 0 296.386 2.206 10 0 CEAERO CN(CC[NH+](C)C)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000176158158 289127934 /nfs/dbraw/zinc/12/79/34/289127934.db2.gz OCGRJNSMVGAZJJ-UHFFFAOYSA-N 1 0 279.428 2.014 10 0 CEAERO CCc1cnccc1C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000155284226 289170577 /nfs/dbraw/zinc/17/05/77/289170577.db2.gz UUUPZGKSJYTKRV-AWEZNQCLSA-N 1 0 277.412 2.350 10 0 CEAERO C[NH+](C)C[C@H]1CN(CC2CCC(C)(C)CC2)CCO1 ZINC000156642762 289200122 /nfs/dbraw/zinc/20/01/22/289200122.db2.gz HCVDWBLYEKEJCW-HNNXBMFYSA-N 1 0 268.445 2.465 10 0 CEAERO C[C@H](c1ccccc1F)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173922924 290266041 /nfs/dbraw/zinc/26/60/41/290266041.db2.gz JXXJNLZYMSGHHO-KGLIPLIRSA-N 1 0 278.371 2.293 10 0 CEAERO C[C@H]1CC(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C[C@H](C)C1 ZINC000180090235 290328773 /nfs/dbraw/zinc/32/87/73/290328773.db2.gz GDOGMKXRYRKUOZ-UMVBOHGHSA-N 1 0 264.413 2.365 10 0 CEAERO [NH3+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000228048282 295252758 /nfs/dbraw/zinc/25/27/58/295252758.db2.gz PUERPFDEJWTJDV-DCAQKATOSA-N 1 0 278.318 2.305 10 0 CEAERO [NH3+][C@H](C(=O)N[C@@H]1C[C@@H]1c1ccccc1)c1ccccc1 ZINC000129398358 295329301 /nfs/dbraw/zinc/32/93/01/295329301.db2.gz AKASRRSDOOSOCO-OAGGEKHMSA-N 1 0 266.344 2.359 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccnc1Cl ZINC000247558162 297100459 /nfs/dbraw/zinc/10/04/59/297100459.db2.gz ZVNFXVFCXHEVCL-MNOVXSKESA-N 1 0 279.771 2.044 10 0 CEAERO [NH3+]CCC1CCN(c2ccc(C(F)(F)F)nn2)CC1 ZINC000167118163 297466440 /nfs/dbraw/zinc/46/64/40/297466440.db2.gz DAMVADYXGIJOOX-UHFFFAOYSA-N 1 0 274.290 2.061 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(OCC3CC3)cc2)C1 ZINC000170855733 297471284 /nfs/dbraw/zinc/47/12/84/297471284.db2.gz QWCFASATCLFKOR-HNNXBMFYSA-N 1 0 288.391 2.252 10 0 CEAERO C[C@H](C(=O)NC1(c2ccccc2)CCCC1)C1C[NH2+]C1 ZINC000262237720 298138660 /nfs/dbraw/zinc/13/86/60/298138660.db2.gz REPPGUAGDBKUOV-ZDUSSCGKSA-N 1 0 272.392 2.428 10 0 CEAERO C[C@H](CC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)C(C)(C)C ZINC000261559197 298295570 /nfs/dbraw/zinc/29/55/70/298295570.db2.gz DPEMLDGRIMNNIS-IUODEOHRSA-N 1 0 252.402 2.271 10 0 CEAERO Cc1cc(C)c(S(=O)(=O)N[C@H]2CCC[C@@H]2C[NH3+])c(C)c1 ZINC000089091788 301199736 /nfs/dbraw/zinc/19/97/36/301199736.db2.gz DCWCDINWTIWRSR-KGLIPLIRSA-N 1 0 296.436 2.018 10 0 CEAERO Cc1ccccc1[C@H]1C[C@H]1C(=O)NC1CCC([NH3+])CC1 ZINC000237682784 302224977 /nfs/dbraw/zinc/22/49/77/302224977.db2.gz PURAJVFNYSBRKD-BCAXMMLOSA-N 1 0 272.392 2.485 10 0 CEAERO Cc1nc2ccccc2nc1N1CCCC[C@H]1C[NH3+] ZINC000052099585 302668357 /nfs/dbraw/zinc/66/83/57/302668357.db2.gz HURMABZWYGZYRZ-LBPRGKRZSA-N 1 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ABNQAYUVHYNETC-LBPRGKRZSA-N 1 0 264.369 2.457 10 0 CEAERO CC(C)[NH2+]CCCOc1cc(Cl)ccc1C(N)=O ZINC000062786594 519720692 /nfs/dbraw/zinc/72/06/92/519720692.db2.gz XNEYXGGXIQSXDF-UHFFFAOYSA-N 1 0 270.760 2.206 10 0 CEAERO CC(C)C[NH+](CC[C@H]([NH2+]C(C)C)C(=O)[O-])CC(C)C ZINC000062454405 519717446 /nfs/dbraw/zinc/71/74/46/519717446.db2.gz DRMONTFDIIWOFN-AWEZNQCLSA-N 1 0 272.433 2.442 10 0 CEAERO CC(C)[C@@H]1CCC(=O)[C@H](C[N@H+](CCO)C2CC2)C1 ZINC000054559347 519801857 /nfs/dbraw/zinc/80/18/57/519801857.db2.gz FLBZEYIXOXGGKN-OLZOCXBDSA-N 1 0 253.386 2.085 10 0 CEAERO CCCC1CC[NH+](CC[C@H]([NH2+]C2CC2)C(=O)[O-])CC1 ZINC000062531124 519901392 /nfs/dbraw/zinc/90/13/92/519901392.db2.gz IBHGISXOWYGWMB-AWEZNQCLSA-N 1 0 268.401 2.094 10 0 CEAERO CC[NH2+]C(C)(C)CN1CCN(c2ccc(F)cc2)CC1 ZINC000061299611 519908237 /nfs/dbraw/zinc/90/82/37/519908237.db2.gz IIXIAQHQNANGHD-UHFFFAOYSA-N 1 0 279.403 2.336 10 0 CEAERO CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CCCCOC ZINC000054602456 519909943 /nfs/dbraw/zinc/90/99/43/519909943.db2.gz CAWROJAVQFBWER-GOOCMWNKSA-N 1 0 254.418 2.408 10 0 CEAERO CCC[NH2+]CCCOc1ccc2c(c1)CCC(=O)N2 ZINC000062367561 519912816 /nfs/dbraw/zinc/91/28/16/519912816.db2.gz GJBFJETWMZDSDG-UHFFFAOYSA-N 1 0 262.353 2.340 10 0 CEAERO CC[NH2+]CCC(=O)Nc1cc(OC)ccc1OC(F)F ZINC000061291580 519917859 /nfs/dbraw/zinc/91/78/59/519917859.db2.gz SGYWFVWQFCNIBO-UHFFFAOYSA-N 1 0 288.294 2.235 10 0 CEAERO CCC[NH2+]CCNc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000054267475 519918701 /nfs/dbraw/zinc/91/87/01/519918701.db2.gz BFJLIQSPUKTJNZ-UHFFFAOYSA-N 1 0 292.351 2.094 10 0 CEAERO CC[NH2+]CCCc1c(C)nc(C[C@@H]2CCCO2)nc1C ZINC000054837546 519920836 /nfs/dbraw/zinc/92/08/36/519920836.db2.gz RMEGKVCARQLXGT-AWEZNQCLSA-N 1 0 277.412 2.357 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N(CCCOCC)CC(F)(F)F ZINC000061236642 519932644 /nfs/dbraw/zinc/93/26/44/519932644.db2.gz WYBXJRIBVURDIC-LLVKDONJSA-N 1 0 298.349 2.050 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N(Cc1ccco1)C1CC1 ZINC000061236003 519932718 /nfs/dbraw/zinc/93/27/18/519932718.db2.gz RNVSLAHZLGSPLA-LLVKDONJSA-N 1 0 250.342 2.016 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000061234427 519932732 /nfs/dbraw/zinc/93/27/32/519932732.db2.gz FMNZOSXHPSQVOW-NXEZZACHSA-N 1 0 266.307 2.033 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000061228936 519939910 /nfs/dbraw/zinc/93/99/10/519939910.db2.gz WEPIDDNCRBTUNZ-SECBINFHSA-N 1 0 272.295 2.472 10 0 CEAERO CC[NH2+]C[C@@H]1C[C@H]1c1cc(OC)c(OC)cc1OC ZINC000054590556 519955379 /nfs/dbraw/zinc/95/53/79/519955379.db2.gz VNWATDDDICBLCT-WDEREUQCSA-N 1 0 265.353 2.425 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N(C)CCOc1ccccc1Cl ZINC000061235629 519958894 /nfs/dbraw/zinc/95/88/94/519958894.db2.gz JXYFNRHIZZPVHK-LBPRGKRZSA-N 1 0 298.814 2.423 10 0 CEAERO CCC[NH2+]Cc1cnc(N2CCCOCC2)c(Cl)c1 ZINC000061935357 519962770 /nfs/dbraw/zinc/96/27/70/519962770.db2.gz UFSQKMJLWHILEA-UHFFFAOYSA-N 1 0 283.803 2.461 10 0 CEAERO CCC[NH2+]Cc1cn(CCO[C@H](C)CC(C)C)nn1 ZINC000052603548 519961951 /nfs/dbraw/zinc/96/19/51/519961951.db2.gz GPGJWOCFIMWLSV-CYBMUJFWSA-N 1 0 268.405 2.229 10 0 CEAERO CC[NH2+]Cc1cc(COc2ccc(OC)cc2)on1 ZINC000052676687 519990400 /nfs/dbraw/zinc/99/04/00/519990400.db2.gz CPRBYZKPPBMDDY-UHFFFAOYSA-N 1 0 262.309 2.372 10 0 CEAERO CC[NH2+]Cc1ccc(CN(C)CC(F)(F)F)o1 ZINC000052483275 519995952 /nfs/dbraw/zinc/99/59/52/519995952.db2.gz UAFBRDQZGLFFIF-UHFFFAOYSA-N 1 0 250.264 2.383 10 0 CEAERO CC[NH2+]Cc1ccnc(N(C)[C@H]2CCSC2)c1 ZINC000051442057 520010172 /nfs/dbraw/zinc/01/01/72/520010172.db2.gz XQRGECZFIUNEAQ-LBPRGKRZSA-N 1 0 251.399 2.133 10 0 CEAERO CC[NH2+]Cc1nc(CN2C[C@H](C)OC(C)(C)C2)cs1 ZINC000052543339 520021020 /nfs/dbraw/zinc/02/10/20/520021020.db2.gz DURXWQJOXRHUOD-NSHDSACASA-N 1 0 283.441 2.252 10 0 CEAERO CCCN[C@@](C)(C[C@H](C)[NH+]1CCCCCCC1)C(N)=O ZINC000068617309 520043458 /nfs/dbraw/zinc/04/34/58/520043458.db2.gz WZSOGJGWQCKFLR-HOCLYGCPSA-N 1 0 283.460 2.275 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000061269950 520064097 /nfs/dbraw/zinc/06/40/97/520064097.db2.gz VDBAJTBGMCVKKQ-MELADBBJSA-N 1 0 252.402 2.413 10 0 CEAERO CCC[NH2+][C@H](COCCC)Cc1cnn(CC)c1 ZINC000050543289 520081836 /nfs/dbraw/zinc/08/18/36/520081836.db2.gz YMIQSRUDNZMPDJ-AWEZNQCLSA-N 1 0 253.390 2.240 10 0 CEAERO CC[NH2+][C@@](C)(CCC[NH+]1CCC(C)(C)CC1)C(=O)[O-] ZINC000061821962 520130846 /nfs/dbraw/zinc/13/08/46/520130846.db2.gz IGYRDSWHYHFICM-HNNXBMFYSA-N 1 0 270.417 2.341 10 0 CEAERO CC[NH2+][C@@](C)(C[C@H](C)Oc1ccc(C)cc1C)C(N)=O ZINC000068655182 520147946 /nfs/dbraw/zinc/14/79/46/520147946.db2.gz VEPYQGVYFREOEV-BBRMVZONSA-N 1 0 278.396 2.314 10 0 CEAERO CCCCC[N@H+](C)C[C@@](NC)(C(=O)OCC)C1CC1 ZINC000069098412 520151846 /nfs/dbraw/zinc/15/18/46/520151846.db2.gz DAXQSJKWPILADB-HNNXBMFYSA-N 1 0 270.417 2.040 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N[C@H](C)c1cc(C)oc1C ZINC000061274425 520166718 /nfs/dbraw/zinc/16/67/18/520166718.db2.gz DPQQEMKRSIMWGY-MWLCHTKSSA-N 1 0 252.358 2.462 10 0 CEAERO CC[NH2+][C@](C)(C[C@H](C)Sc1ccccc1OC)C(N)=O ZINC000068639796 520243117 /nfs/dbraw/zinc/24/31/17/520243117.db2.gz INBWCWIQTABXQB-XHDPSFHLSA-N 1 0 296.436 2.419 10 0 CEAERO CCO[C@@H](C[NH3+])CCN(C)c1ccc(CC)cc1 ZINC000062741217 520307886 /nfs/dbraw/zinc/30/78/86/520307886.db2.gz HYFKMKCVFWQNIE-OAHLLOKOSA-N 1 0 250.386 2.439 10 0 CEAERO CCNc1ccc(Cl)c(CN2CC[C@H]([NH+](C)C)C2)n1 ZINC000062969383 520308865 /nfs/dbraw/zinc/30/88/65/520308865.db2.gz VEXATHJHZVCOKO-NSHDSACASA-N 1 0 282.819 2.303 10 0 CEAERO CCCC[N@H+](CC)C[C@@](NCC)(C(=O)OCC)C1CC1 ZINC000069090279 520479073 /nfs/dbraw/zinc/47/90/73/520479073.db2.gz ZDQDLQPMIYBMGB-INIZCTEOSA-N 1 0 284.444 2.430 10 0 CEAERO CCCCOCCOC[C@H](O)C[NH2+][C@H](CC)C(C)C ZINC000049130049 520788824 /nfs/dbraw/zinc/78/88/24/520788824.db2.gz RJSDEWUOVWVFAS-HUUCEWRRSA-N 1 0 275.433 2.205 10 0 CEAERO CCCCOCCOC[C@H]1CC[C@@H](C[NH2+]C(C)C)O1 ZINC000052629037 520789644 /nfs/dbraw/zinc/78/96/44/520789644.db2.gz AOQXOXFGURBNAX-LSDHHAIUSA-N 1 0 273.417 2.365 10 0 CEAERO CCOC(=O)C[C@@H](C)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000051631357 520837102 /nfs/dbraw/zinc/83/71/02/520837102.db2.gz JFWAXPQRHXHLFW-IUODEOHRSA-N 1 0 261.365 2.475 10 0 CEAERO CCOC(=O)[C@@](C)([NH3+])CCCSc1nc(C)cc(C)n1 ZINC000051608498 521153577 /nfs/dbraw/zinc/15/35/77/521153577.db2.gz DHPKFHQOXWKRLK-AWEZNQCLSA-N 1 0 297.424 2.246 10 0 CEAERO CCOC(=O)[C@@]1(N2CCC[NH2+]CC2)C[C@@H](C)CC[C@@H]1C ZINC000068631376 521182860 /nfs/dbraw/zinc/18/28/60/521182860.db2.gz WBWKBEATBMMEEI-OFQRWUPVSA-N 1 0 282.428 2.040 10 0 CEAERO CCCN(CC(F)(F)F)C(=O)[C@H]1[NH2+]CCC[C@@H]1C ZINC000051794554 521585122 /nfs/dbraw/zinc/58/51/22/521585122.db2.gz WFVLKZJVLVQGCR-UWVGGRQHSA-N 1 0 266.307 2.175 10 0 CEAERO CCS(=O)(=O)CC[C@@]1(C[NH3+])CCCc2ccccc21 ZINC000054637473 521644900 /nfs/dbraw/zinc/64/49/00/521644900.db2.gz KARXEDSNNDVWMI-OAHLLOKOSA-N 1 0 281.421 2.044 10 0 CEAERO CCS(=O)(=O)CC[C@H](C[NH3+])Cc1ccc(Cl)cc1 ZINC000052947611 521646078 /nfs/dbraw/zinc/64/60/78/521646078.db2.gz NIZDMSNZLUZSTQ-LBPRGKRZSA-N 1 0 289.828 2.282 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N(C)[C@H](C)c1cc(F)ccc1F ZINC000061317199 521931965 /nfs/dbraw/zinc/93/19/65/521931965.db2.gz PIMIPKJIAQVJQQ-SECBINFHSA-N 1 0 270.323 2.482 10 0 CEAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000061316197 521941005 /nfs/dbraw/zinc/94/10/05/521941005.db2.gz FWSWTFQKZRGJRB-UHFFFAOYSA-N 1 0 258.325 2.013 10 0 CEAERO C[NH2+]CCN(C)[C@H](C)C(=O)c1ccc(Br)cc1 ZINC000070303502 522006364 /nfs/dbraw/zinc/00/63/64/522006364.db2.gz JXBSWWWLUMXPJQ-SNVBAGLBSA-N 1 0 299.212 2.172 10 0 CEAERO COCCc1nc(C)c([C@@H](C)C[NH2+]C2CC2)c(C)n1 ZINC000054855068 522030459 /nfs/dbraw/zinc/03/04/59/522030459.db2.gz APZQQJPDXBATID-JTQLQIEISA-N 1 0 263.385 2.138 10 0 CEAERO C[NH2+]Cc1nnc(-c2cccc(OC(F)F)c2)o1 ZINC000050615368 522156351 /nfs/dbraw/zinc/15/63/51/522156351.db2.gz OWVDUINFLKBNGH-UHFFFAOYSA-N 1 0 255.224 2.057 10 0 CEAERO C[NH2+]Cc1occc1CN1CCO[C@H]2CCCC[C@@H]21 ZINC000052573116 522162734 /nfs/dbraw/zinc/16/27/34/522162734.db2.gz BFHHEJSEGYQBLU-KBPBESRZSA-N 1 0 264.369 2.142 10 0 CEAERO CC[C@H]([NH3+])[C@@](O)(c1ccc(F)cc1)C(F)(F)F ZINC000062784357 522341108 /nfs/dbraw/zinc/34/11/08/522341108.db2.gz LXSIWMBBMMBYGS-UWVGGRQHSA-N 1 0 251.223 2.313 10 0 CEAERO C[NH2+][C@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000052395705 522437052 /nfs/dbraw/zinc/43/70/52/522437052.db2.gz DLYSDMMADKCNHA-SECBINFHSA-N 1 0 285.185 2.015 10 0 CEAERO COCCC[NH2+]CCN1CC[C@H]2CCCC[C@@H]2C1 ZINC000053385522 518053339 /nfs/dbraw/zinc/05/33/39/518053339.db2.gz NYZBQJKEKZWRDT-HUUCEWRRSA-N 1 0 254.418 2.125 10 0 CEAERO COc1ccc(C[NH2+]CCN(C)C2CC2)cc1F ZINC000061992431 518151460 /nfs/dbraw/zinc/15/14/60/518151460.db2.gz OVGAREFYTFUNKS-UHFFFAOYSA-N 1 0 252.333 2.018 10 0 CEAERO C(C1CCOCC1)[N@@H+]1CCN[C@@H](C2CCCCC2)C1 ZINC000068693872 518381116 /nfs/dbraw/zinc/38/11/16/518381116.db2.gz NLGMZABZUYXNSP-MRXNPFEDSA-N 1 0 266.429 2.267 10 0 CEAERO C(C[NH2+]C1CC1)Cc1nnc(CC[C@H]2CCCCO2)o1 ZINC000069403857 518392466 /nfs/dbraw/zinc/39/24/66/518392466.db2.gz HIHFNMCVGCCYTB-CYBMUJFWSA-N 1 0 279.384 2.256 10 0 CEAERO CC(C)(C)[NH+]1CCN(Cc2nc(N)ccc2Cl)CC1 ZINC000061638816 518712866 /nfs/dbraw/zinc/71/28/66/518712866.db2.gz SEHDSDDKCWUQIJ-UHFFFAOYSA-N 1 0 282.819 2.233 10 0 CEAERO CC(C)(C)[NH2+]CC1CCN(Cc2ncccn2)CC1 ZINC000054460415 518755954 /nfs/dbraw/zinc/75/59/54/518755954.db2.gz WZDVQFZRNDSUIG-UHFFFAOYSA-N 1 0 262.401 2.077 10 0 CEAERO CC(C)(C)[NH2+]CC1(CN2CCSCC2)CCOCC1 ZINC000052181129 518753742 /nfs/dbraw/zinc/75/37/42/518753742.db2.gz ZKWZOBLAITXWIA-UHFFFAOYSA-N 1 0 286.485 2.220 10 0 CEAERO CC(C)(C)[NH2+]Cc1ccccc1OC[C@H]1CNC(=O)O1 ZINC000062729291 518765863 /nfs/dbraw/zinc/76/58/63/518765863.db2.gz LXEUDHTYPPEGCP-GFCCVEGCSA-N 1 0 278.352 2.062 10 0 CEAERO CC(C)(C)[NH2+]Cc1ccccc1N1CCCC[C@@H]1C(N)=O ZINC000062737534 518766286 /nfs/dbraw/zinc/76/62/86/518766286.db2.gz KLOBUOQPCMTDRC-OAHLLOKOSA-N 1 0 289.423 2.419 10 0 CEAERO CC(C)(C)[NH2+]Cc1cccc(OCCCS(C)(=O)=O)c1 ZINC000063014490 518766422 /nfs/dbraw/zinc/76/64/22/518766422.db2.gz LUZSUIGFKJFFSM-UHFFFAOYSA-N 1 0 299.436 2.388 10 0 CEAERO CC(C)(C)[NH2+]Cc1nccn1Cc1cn2ccccc2n1 ZINC000051015506 518768412 /nfs/dbraw/zinc/76/84/12/518768412.db2.gz WYVNTIRUPPMKMO-UHFFFAOYSA-N 1 0 283.379 2.467 10 0 CEAERO CC(C)(C)OC[C@@H](O)C[NH2+]CCc1ccsc1 ZINC000049181147 518880325 /nfs/dbraw/zinc/88/03/25/518880325.db2.gz ZZNZNCMPKWMCKY-LBPRGKRZSA-N 1 0 257.399 2.056 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc(N)c(F)cc1F ZINC000049551032 519338857 /nfs/dbraw/zinc/33/88/57/519338857.db2.gz DUWWBNHUNGTKJB-SNVBAGLBSA-N 1 0 299.365 2.253 10 0 CEAERO CC(C)CCC[NH2+]CCn1ncc(=O)c2ccccc21 ZINC000053532936 519641812 /nfs/dbraw/zinc/64/18/12/519641812.db2.gz XCHUOPJCOXBJSP-UHFFFAOYSA-N 1 0 273.380 2.422 10 0 CEAERO CC(C)CCNC(=O)[C@H](C)[NH2+][C@@H](CC(C)C)CN(C)C ZINC000049555869 519660399 /nfs/dbraw/zinc/66/03/99/519660399.db2.gz VINVOPJPYFQBRQ-GJZGRUSLSA-N 1 0 285.476 2.103 10 0 CEAERO CC(C)CC[C@@H](C)NS(=O)(=O)c1ccc(CC[NH3+])cc1 ZINC000069235038 519682580 /nfs/dbraw/zinc/68/25/80/519682580.db2.gz QSAIAJSOMQOOKK-CYBMUJFWSA-N 1 0 298.452 2.291 10 0 CEAERO CC(C)[NH2+]CCCN1c2ccc(Cl)cc2C(=O)C1=O ZINC000048784631 519720578 /nfs/dbraw/zinc/72/05/78/519720578.db2.gz BDBWEOISYLMSRA-UHFFFAOYSA-N 1 0 280.755 2.257 10 0 CEAERO CC(C)[NH2+]CCc1nnc([C@H]2Cc3ccccc3O2)o1 ZINC000050620230 519722906 /nfs/dbraw/zinc/72/29/06/519722906.db2.gz VKQGSYIJDPJHRN-CYBMUJFWSA-N 1 0 273.336 2.286 10 0 CEAERO CC(C)[NH2+]Cc1ccc(N2CCO[C@@H]3CCC[C@@H]32)nc1 ZINC000051485721 519726644 /nfs/dbraw/zinc/72/66/44/519726644.db2.gz VZGGJVMNIXLYLV-LSDHHAIUSA-N 1 0 275.396 2.337 10 0 CEAERO CC(C)C[NH+]1CCN(C[C@H]2CCCCCC2=O)CC1 ZINC000055081652 519726639 /nfs/dbraw/zinc/72/66/39/519726639.db2.gz SZVGCBPPFKCVOX-OAHLLOKOSA-N 1 0 266.429 2.409 10 0 CEAERO CC(C)[NH2+]Cc1ccc(CN2CCOC[C@H]2C)cc1 ZINC000052476045 519726826 /nfs/dbraw/zinc/72/68/26/519726826.db2.gz IWROFQAFRDSSGK-CQSZACIVSA-N 1 0 262.397 2.405 10 0 CEAERO CC(C)[NH2+]Cc1ccc(CN2CCOCC2(C)C)o1 ZINC000052546095 519726838 /nfs/dbraw/zinc/72/68/38/519726838.db2.gz ZRIIUJDJTUEOMK-UHFFFAOYSA-N 1 0 266.385 2.388 10 0 CEAERO CC(C)C[NH+]1CCN([C@H](C)[C@@H](O)c2ccccc2)CC1 ZINC000055080959 519728101 /nfs/dbraw/zinc/72/81/01/519728101.db2.gz VYWHXTWFDFCBNB-NVXWUHKLSA-N 1 0 276.424 2.382 10 0 CEAERO CC(C)[NH2+]Cc1cnc(N2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000054900498 519728443 /nfs/dbraw/zinc/72/84/43/519728443.db2.gz FEEQVYWYWSBYEP-PHIMTYICSA-N 1 0 269.414 2.255 10 0 CEAERO CC(=O)Nc1cccc(N2[C@@H]3CC[C@H]2CC([NH3+])C3)c1 ZINC000054627725 519741282 /nfs/dbraw/zinc/74/12/82/519741282.db2.gz BMVTZSLIYSAQMS-PHTAMDTFSA-N 1 0 259.353 2.104 10 0 CEAERO CC(C)C[NH2+]CCCCn1cnc2ccsc2c1=O ZINC000053529376 519743423 /nfs/dbraw/zinc/74/34/23/519743423.db2.gz BIDJSBVEMXSDHP-UHFFFAOYSA-N 1 0 279.409 2.484 10 0 CEAERO CC(C)C[NH2+]Cc1cccc(O[C@H]2CCCCNC2=O)c1 ZINC000062731421 519747623 /nfs/dbraw/zinc/74/76/23/519747623.db2.gz HZWHCPIFHAMXOZ-INIZCTEOSA-N 1 0 290.407 2.480 10 0 CEAERO CC(C)C[NH2+]Cc1cccc(O[C@H](C)C(=O)N(C)C)c1 ZINC000062731447 519747746 /nfs/dbraw/zinc/74/77/46/519747746.db2.gz VPUSIHKRTCEWTF-CYBMUJFWSA-N 1 0 278.396 2.288 10 0 CEAERO CC(C)C[NH2+]Cc1cnc(N2CCO[C@H](C)C2)s1 ZINC000054900800 519748434 /nfs/dbraw/zinc/74/84/34/519748434.db2.gz PEXXUUJOQFBIHW-LLVKDONJSA-N 1 0 269.414 2.114 10 0 CEAERO CC(C)C[NH2+]Cc1nnnn1[C@@H](C)c1ccccc1F ZINC000054747183 519748756 /nfs/dbraw/zinc/74/87/56/519748756.db2.gz UCUYRUATJBFDSN-NSHDSACASA-N 1 0 277.347 2.167 10 0 CEAERO CC(C)C[NH2+]Cc1nnnn1-c1ccccc1Cl ZINC000054744441 519748824 /nfs/dbraw/zinc/74/88/24/519748824.db2.gz LXJABYOTKWRYIN-UHFFFAOYSA-N 1 0 265.748 2.061 10 0 CEAERO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccc(N)cc1Cl ZINC000049191858 519793419 /nfs/dbraw/zinc/79/34/19/519793419.db2.gz IONFZXBLRSQIBE-CYBMUJFWSA-N 1 0 283.803 2.238 10 0 CEAERO CC(C)[C@@H](C[NH+](C)C)Nc1ccc(C(N)=S)cc1 ZINC000049224967 519794043 /nfs/dbraw/zinc/79/40/43/519794043.db2.gz AMBDFQWCIQHMII-CYBMUJFWSA-N 1 0 265.426 2.319 10 0 CEAERO CC(C)[C@H](CN(C)C)[NH2+][C@H]1CC(=O)N(C)c2ccccc21 ZINC000049199215 519814985 /nfs/dbraw/zinc/81/49/85/519814985.db2.gz IOOJREFOWQUMFN-GJZGRUSLSA-N 1 0 289.423 2.270 10 0 CEAERO CC(C)[C@H]1CC[C@H](C)c2c1[nH]nc2N1CC[NH2+]CC1 ZINC000062670031 519826037 /nfs/dbraw/zinc/82/60/37/519826037.db2.gz AYFHULBOIPESKI-NWDGAFQWSA-N 1 0 262.401 2.456 10 0 CEAERO CCC[NH+]1CCC(Nc2cc(C(N)=S)ccn2)CC1 ZINC000049560076 519847505 /nfs/dbraw/zinc/84/75/05/519847505.db2.gz PMZUTSDGEIYYLY-UHFFFAOYSA-N 1 0 278.425 2.002 10 0 CEAERO CCCC1(C(=O)N[C@H](C)c2ccncc2)CC[NH2+]CC1 ZINC000062848178 519888282 /nfs/dbraw/zinc/88/82/82/519888282.db2.gz UAYOUWORFQCCPU-CYBMUJFWSA-N 1 0 275.396 2.429 10 0 CEAERO CCCNC(=O)[C@H](C)Oc1ccc2c(c1)OC[C@H]2[NH2+]CC ZINC000062804840 519893761 /nfs/dbraw/zinc/89/37/61/519893761.db2.gz VRPOQCDLOOTPIW-SMDDNHRTSA-N 1 0 292.379 2.023 10 0 CEAERO CCCC1CC[NH+]([C@H](C)C[C@@](C)(NC2CC2)C(N)=O)CC1 ZINC000068641916 519903174 /nfs/dbraw/zinc/90/31/74/519903174.db2.gz DONGHPDOITUQMF-CXAGYDPISA-N 1 0 295.471 2.273 10 0 CEAERO CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CCn1ccnc1 ZINC000054602926 519908120 /nfs/dbraw/zinc/90/81/20/519908120.db2.gz ONGMKMIPHOTWIE-MQVJKMGUSA-N 1 0 276.428 2.268 10 0 CEAERO CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2c1cnn(CCOC)c1 ZINC000054602764 519910687 /nfs/dbraw/zinc/91/06/87/519910687.db2.gz LSLLBPSHZRLTQC-GOOCMWNKSA-N 1 0 292.427 2.029 10 0 CEAERO CC[NH2+]CCC(=O)N(CC(C)C)CC(F)(F)F ZINC000061295424 519915400 /nfs/dbraw/zinc/91/54/00/519915400.db2.gz VXSCEPBAOBAYGO-UHFFFAOYSA-N 1 0 254.296 2.033 10 0 CEAERO CC[NH2+]CCC[C@@H](C)Oc1ccc(S(C)(=O)=O)cc1 ZINC000052702176 519919854 /nfs/dbraw/zinc/91/98/54/519919854.db2.gz MVHJSWMDQRDUQG-GFCCVEGCSA-N 1 0 285.409 2.247 10 0 CEAERO CCC[NH2+]C[C@@H](Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000052950833 519921163 /nfs/dbraw/zinc/92/11/63/519921163.db2.gz USAAXGLMVYAGLW-HZPDHXFCSA-N 1 0 295.448 2.280 10 0 CEAERO CC(C)n1c(S[C@H](C[NH3+])c2ccsc2)n[nH]c1=O ZINC000061595072 519923814 /nfs/dbraw/zinc/92/38/14/519923814.db2.gz CCDAQRJQACERPA-SECBINFHSA-N 1 0 284.410 2.006 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N(C)CCOc1cc(C)cc(C)c1 ZINC000061235608 519932120 /nfs/dbraw/zinc/93/21/20/519932120.db2.gz HPIYLNBEPPMGLZ-OAHLLOKOSA-N 1 0 292.423 2.386 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N(CC)c1cccc(F)c1 ZINC000061268005 519933301 /nfs/dbraw/zinc/93/33/01/519933301.db2.gz IJQZXHOOJOSMMH-LLVKDONJSA-N 1 0 252.333 2.424 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)NCc1ccc(Br)cc1 ZINC000061228324 519935772 /nfs/dbraw/zinc/93/57/72/519935772.db2.gz KEYLLBYWUSVYHX-SNVBAGLBSA-N 1 0 299.212 2.311 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1cc(-c2nnco2)ccc1C ZINC000061232143 519938598 /nfs/dbraw/zinc/93/85/98/519938598.db2.gz PXBJBKFNRZYDOY-LLVKDONJSA-N 1 0 288.351 2.229 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccc2[nH]c(C)nc2c1 ZINC000061233413 519941714 /nfs/dbraw/zinc/94/17/14/519941714.db2.gz JAOHDENGURASME-SECBINFHSA-N 1 0 260.341 2.055 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1cccc(Cn2ccnc2)c1 ZINC000061230534 519941895 /nfs/dbraw/zinc/94/18/95/519941895.db2.gz HGUPBXFIVWLYCY-CYBMUJFWSA-N 1 0 286.379 2.116 10 0 CEAERO CC[NH2+]C[C@@H](OC[C@@H]1CCOC1)c1ccc(OC)cc1 ZINC000050501232 519947515 /nfs/dbraw/zinc/94/75/15/519947515.db2.gz OEYISLBHUOUZID-CZUORRHYSA-N 1 0 279.380 2.399 10 0 CEAERO CC[NH2+]C[C@@H]1CC[C@H](CN(C)c2ccccc2OC)O1 ZINC000052513171 519954220 /nfs/dbraw/zinc/95/42/20/519954220.db2.gz AJWAWUVMRUKYKS-UONOGXRCSA-N 1 0 278.396 2.289 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N[C@H](C)c1cccc(F)c1 ZINC000061267147 519964704 /nfs/dbraw/zinc/96/47/04/519964704.db2.gz SMDCEXUUFGNAHM-WDEREUQCSA-N 1 0 252.333 2.249 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccc(OCC)c(OC)c1 ZINC000061232565 519966882 /nfs/dbraw/zinc/96/68/82/519966882.db2.gz MBMPKUNATGKLLI-NSHDSACASA-N 1 0 280.368 2.278 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1cccc(NC(=O)C(C)C)c1 ZINC000061233140 519968025 /nfs/dbraw/zinc/96/80/25/519968025.db2.gz ZHSIKUWYGVNCJD-LBPRGKRZSA-N 1 0 291.395 2.465 10 0 CEAERO CCC[NH2+]Cc1nnnn1-c1cccc(O[C@H](C)CC)c1 ZINC000054745126 519969706 /nfs/dbraw/zinc/96/97/06/519969706.db2.gz HZDZMVBGLSARPO-GFCCVEGCSA-N 1 0 289.383 2.339 10 0 CEAERO CCC[NH2+]Cc1nnnn1[C@H](c1cccs1)C(C)C ZINC000054747581 519973819 /nfs/dbraw/zinc/97/38/19/519973819.db2.gz QKFPFYMQHNRCRN-ZDUSSCGKSA-N 1 0 279.413 2.480 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N[C@H]2C[C@@H]2C)cc1 ZINC000052295379 519989006 /nfs/dbraw/zinc/98/90/06/519989006.db2.gz YYMRFPDGNMSQPX-HUBLWGQQSA-N 1 0 296.436 2.434 10 0 CEAERO CC[NH2+]Cc1ccc(CN2CCO[C@H]3CCC[C@@H]32)o1 ZINC000052540193 519994769 /nfs/dbraw/zinc/99/47/69/519994769.db2.gz QVLLNUQAAXVEMB-GJZGRUSLSA-N 1 0 264.369 2.142 10 0 CEAERO CC[NH2+]Cc1cccc(-n2nnc(-c3ccccc3)n2)c1 ZINC000069328012 520003791 /nfs/dbraw/zinc/00/37/91/520003791.db2.gz KIKWNFQKHCQOMZ-UHFFFAOYSA-N 1 0 279.347 2.439 10 0 CEAERO CC[NH2+]Cc1cnc(N2C[C@@H](C)OC(C)(C)C2)s1 ZINC000054908052 520015091 /nfs/dbraw/zinc/01/50/91/520015091.db2.gz HUEHTDWJPIBGKK-SNVBAGLBSA-N 1 0 269.414 2.256 10 0 CEAERO CCC[NH2+][C@@H](Cc1nc(C)cs1)c1ccnn1C ZINC000069467885 520016112 /nfs/dbraw/zinc/01/61/12/520016112.db2.gz LWATXKAFVDKDCC-NSHDSACASA-N 1 0 264.398 2.468 10 0 CEAERO CC[NH2+]Cc1coc(CN2C[C@H](C)OC(C)(C)C2)c1 ZINC000052543543 520018425 /nfs/dbraw/zinc/01/84/25/520018425.db2.gz SUVPBVPLEOLTSY-LBPRGKRZSA-N 1 0 266.385 2.388 10 0 CEAERO CC[NH2+]Cc1nccn1Cc1cc(C)ccc1OC ZINC000051004832 520023012 /nfs/dbraw/zinc/02/30/12/520023012.db2.gz YANLVJIVTFOSSM-UHFFFAOYSA-N 1 0 259.353 2.358 10 0 CEAERO CCC[NH2+][C@@H]1CCOC[C@@H]1N1Cc2ccccc2C1 ZINC000050911227 520025288 /nfs/dbraw/zinc/02/52/88/520025288.db2.gz WWNKXRHWFFWCBN-CVEARBPZSA-N 1 0 260.381 2.159 10 0 CEAERO CCC[NH2+][C@@H]1CCc2c1cccc2OCC(=O)N(C)C ZINC000062800050 520026483 /nfs/dbraw/zinc/02/64/83/520026483.db2.gz CBEGZCKXNXQYQW-CQSZACIVSA-N 1 0 276.380 2.141 10 0 CEAERO CC[NH2+]Cc1occc1CN1CCO[C@@H]2CCC[C@@H]21 ZINC000052540218 520031147 /nfs/dbraw/zinc/03/11/47/520031147.db2.gz CEJAGXKYUMOFGJ-UONOGXRCSA-N 1 0 264.369 2.142 10 0 CEAERO CCC[NH2+][C@@](C)(C[C@@H](C)Oc1ccccc1OC)C(N)=O ZINC000068656626 520040530 /nfs/dbraw/zinc/04/05/30/520040530.db2.gz FJWPWOJHNPCCOD-WBMJQRKESA-N 1 0 294.395 2.096 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N[C@@H](C)CCc1ccc(O)cc1 ZINC000061271111 520065484 /nfs/dbraw/zinc/06/54/84/520065484.db2.gz NEEIKSVSKCKYRB-STQMWFEESA-N 1 0 278.396 2.218 10 0 CEAERO CCC[NH2+][C@H](C)c1ccc(OC[C@H](O)COC)cc1 ZINC000069053525 520065683 /nfs/dbraw/zinc/06/56/83/520065683.db2.gz WOZMVDMYGAZUDN-TZMCWYRMSA-N 1 0 267.369 2.133 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1sc(C)c(C)c1C(=O)OC ZINC000061273867 520071220 /nfs/dbraw/zinc/07/12/20/520071220.db2.gz MNWKPNWFGQFFES-QMMMGPOBSA-N 1 0 298.408 2.478 10 0 CEAERO CCCN[C@H](CC[N@H+](CC)CC1CC1)C(=O)OCC ZINC000069239650 520072482 /nfs/dbraw/zinc/07/24/82/520072482.db2.gz MQUCMFGTRDZBDM-CQSZACIVSA-N 1 0 270.417 2.040 10 0 CEAERO CC[NH2+][C@@H](C)c1cc(C)ccc1OC[C@@H](O)COCC ZINC000069275543 520074196 /nfs/dbraw/zinc/07/41/96/520074196.db2.gz VEAOPWIECVBFSK-KBPBESRZSA-N 1 0 281.396 2.442 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(OCCCS(C)(=O)=O)cc1 ZINC000063014352 520077672 /nfs/dbraw/zinc/07/76/72/520077672.db2.gz FEAOWLFXZJAUIS-LBPRGKRZSA-N 1 0 285.409 2.171 10 0 CEAERO CCC[NH2+][C@H](CCOc1ccccc1OCCC)C(N)=O ZINC000062544583 520079601 /nfs/dbraw/zinc/07/96/01/520079601.db2.gz MTQPIKGPAIQFHB-CYBMUJFWSA-N 1 0 294.395 2.098 10 0 CEAERO CC[NH2+][C@@H](C)c1nnc(-c2ccc3nccnc3c2)o1 ZINC000061439448 520081432 /nfs/dbraw/zinc/08/14/32/520081432.db2.gz OFELOIVIWFWNBN-VIFPVBQESA-N 1 0 269.308 2.350 10 0 CEAERO CC[NH2+][C@@H](CCCS(C)(=O)=O)c1ccc(F)cc1 ZINC000063016764 520084274 /nfs/dbraw/zinc/08/42/74/520084274.db2.gz UGZNLJDIXKPXRS-ZDUSSCGKSA-N 1 0 273.373 2.301 10 0 CEAERO CC[NH2+][C@@H](CC)c1ccc(OC[C@@H](O)COC)cc1 ZINC000069053582 520084285 /nfs/dbraw/zinc/08/42/85/520084285.db2.gz RSYCBYIFFNQRGG-ZFWWWQNUSA-N 1 0 267.369 2.133 10 0 CEAERO CC[NH2+][C@@H](CCOc1ccc(C(C)(C)C)cc1)C(N)=O ZINC000062548953 520090280 /nfs/dbraw/zinc/09/02/80/520090280.db2.gz CJKTUKATAJANTL-AWEZNQCLSA-N 1 0 278.396 2.216 10 0 CEAERO CCC[NH2+][C@H](c1ccc(OC)cc1OC)[C@@H]1COCCO1 ZINC000055300538 520091214 /nfs/dbraw/zinc/09/12/14/520091214.db2.gz JRVMEAPNJLPIEN-JKSUJKDBSA-N 1 0 295.379 2.160 10 0 CEAERO CC[NH2+][C@@H](CCOc1cccc(C(C)(C)C)c1)C(N)=O ZINC000062594654 520092647 /nfs/dbraw/zinc/09/26/47/520092647.db2.gz LOJAFEKBQAIOKC-AWEZNQCLSA-N 1 0 278.396 2.216 10 0 CEAERO CC[NH2+][C@@H](CCOc1ccccc1[C@H](C)CC)C(N)=O ZINC000062551004 520094655 /nfs/dbraw/zinc/09/46/55/520094655.db2.gz OOUSZRCTBGPGEC-OCCSQVGLSA-N 1 0 278.396 2.432 10 0 CEAERO CCN(C(=O)c1cccc2ncccc21)C1CC[NH2+]CC1 ZINC000061416095 520103439 /nfs/dbraw/zinc/10/34/39/520103439.db2.gz XMKJPHKHJGYSQE-UHFFFAOYSA-N 1 0 283.375 2.449 10 0 CEAERO CC[NH2+][C@@H](c1ccccc1)[C@H](C)CN1CCS(=O)CC1 ZINC000053940996 520115111 /nfs/dbraw/zinc/11/51/11/520115111.db2.gz MONDVMDQTBEFTH-GDBMZVCRSA-N 1 0 294.464 2.038 10 0 CEAERO CCCN[C@](C[N@H+](CC1CC1)C(C)C)(C(=O)OC)C1CC1 ZINC000069183547 520119194 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ZINC000068617650 520139073 /nfs/dbraw/zinc/13/90/73/520139073.db2.gz ISUUMWVUPVBCPV-CJNGLKHVSA-N 1 0 283.460 2.273 10 0 CEAERO CC[NH2+][C@@](C)(C[C@@H](C)Oc1cc(C)cc(C)c1)C(N)=O ZINC000068656137 520142946 /nfs/dbraw/zinc/14/29/46/520142946.db2.gz QELGDISZLDGWJW-CJNGLKHVSA-N 1 0 278.396 2.314 10 0 CEAERO CCCCCN(C(=O)c1ccc(NN)[nH+]c1)C(C)C ZINC000051118161 520147105 /nfs/dbraw/zinc/14/71/05/520147105.db2.gz TYIOXVFVJQOLFT-UHFFFAOYSA-N 1 0 264.373 2.408 10 0 CEAERO CCCNc1ccc(C(=O)NC[C@@H]2CC[N@H+](C)C2)cc1 ZINC000050770162 520148774 /nfs/dbraw/zinc/14/87/74/520148774.db2.gz LWDYCGBOAGJMMU-ZDUSSCGKSA-N 1 0 275.396 2.190 10 0 CEAERO CCCNc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000050779358 520150646 /nfs/dbraw/zinc/15/06/46/520150646.db2.gz FHRKKMQIICTLSM-OAHLLOKOSA-N 1 0 287.407 2.475 10 0 CEAERO CCCNc1ccc(C[N@H+](CCOC)[C@H](C)COC)cn1 ZINC000050816941 520155752 /nfs/dbraw/zinc/15/57/52/520155752.db2.gz GMODRJDFHNTSLD-CQSZACIVSA-N 1 0 295.427 2.387 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N[C@H](C)c1ccc(OC)cc1OC ZINC000061270233 520168860 /nfs/dbraw/zinc/16/88/60/520168860.db2.gz SYMQMXPIOQOXSE-VXGBXAGGSA-N 1 0 294.395 2.269 10 0 CEAERO CC[NH2+][C@H](C)CCN1CCN(c2ccccc2F)CC1 ZINC000061275056 520171844 /nfs/dbraw/zinc/17/18/44/520171844.db2.gz DFKAFBOAVDAPCU-CQSZACIVSA-N 1 0 279.403 2.336 10 0 CEAERO CC[NH2+][C@H](C)c1cc(Cl)ccc1OC[C@H]1CNC(=O)O1 ZINC000050210265 520176708 /nfs/dbraw/zinc/17/67/08/520176708.db2.gz UPKYOSLBAQSUTR-MWLCHTKSSA-N 1 0 298.770 2.498 10 0 CEAERO CC[NH2+][C@H](CC)c1ccccc1OC[C@H](O)COC ZINC000069053509 520185469 /nfs/dbraw/zinc/18/54/69/520185469.db2.gz XWYNUGOGMLRBOK-TZMCWYRMSA-N 1 0 267.369 2.133 10 0 CEAERO CC[NH2+][C@H](CN1CCN(C)C1=O)c1ccccc1C ZINC000052885535 520197180 /nfs/dbraw/zinc/19/71/80/520197180.db2.gz NWPXKIIPBSKNPS-CQSZACIVSA-N 1 0 261.369 2.013 10 0 CEAERO CC[NH2+][C@H]1COc2cc(OCCC(=O)NC(C)C)ccc21 ZINC000062804724 520221140 /nfs/dbraw/zinc/22/11/40/520221140.db2.gz OAIJJNDBNISSRB-AWEZNQCLSA-N 1 0 292.379 2.023 10 0 CEAERO CC[NH2+][C@](C)(CCOc1cccc2ccccc21)C(N)=O ZINC000045519104 520232414 /nfs/dbraw/zinc/23/24/14/520232414.db2.gz VLBUGEHIMXUGSO-QGZVFWFLSA-N 1 0 286.375 2.462 10 0 CEAERO CCN[C@](C)(C[C@H](C)[NH+](CC(C)C)CC(C)C)C(N)=O ZINC000068628660 520237904 /nfs/dbraw/zinc/23/79/04/520237904.db2.gz ZHWWQTVYXLZXTR-GOEBONIOSA-N 1 0 285.476 2.233 10 0 CEAERO CCN[C@](C)(C[C@H](C)[N@@H+]1CCC[C@@H]1C1CCCC1)C(N)=O ZINC000068632688 520239758 /nfs/dbraw/zinc/23/97/58/520239758.db2.gz BPFTUQYQVIQJTC-YSVLISHTSA-N 1 0 295.471 2.273 10 0 CEAERO CCN[C@](C[N@H+]1[C@H](C)CCC[C@@H]1C)(C(=O)OC)C1CC1 ZINC000069096220 520249601 /nfs/dbraw/zinc/24/96/01/520249601.db2.gz YRUOSVJTKGBPGV-ZENOOKHLSA-N 1 0 282.428 2.181 10 0 CEAERO CCCOCc1nc(C)c([C@H](C)C[NH2+]C)c(C)n1 ZINC000054854755 520262193 /nfs/dbraw/zinc/26/21/93/520262193.db2.gz WNMIRCOYODBFMG-SNVBAGLBSA-N 1 0 251.374 2.343 10 0 CEAERO CCCO[C@@H]1CCCN(Cc2[nH+]c(NN)ccc2Cl)C1 ZINC000061638720 520274376 /nfs/dbraw/zinc/27/43/76/520274376.db2.gz CXSFOUHPWPHVEL-LLVKDONJSA-N 1 0 298.818 2.412 10 0 CEAERO CCNc1ccc(C[N@H+](C)[C@@H]2CCSC2)cn1 ZINC000050813304 520298508 /nfs/dbraw/zinc/29/85/08/520298508.db2.gz SJKXGQXRBBUYMF-GFCCVEGCSA-N 1 0 251.399 2.451 10 0 CEAERO CCNc1ccc(C[N@@H+]2CCCC[C@H]2CCO)cn1 ZINC000050792889 520302552 /nfs/dbraw/zinc/30/25/52/520302552.db2.gz OSYNHKVFFNVREY-AWEZNQCLSA-N 1 0 263.385 2.250 10 0 CEAERO CC1(C)CCCN(C(=O)Cc2ccc(C[NH3+])cc2)C1 ZINC000070257765 520322815 /nfs/dbraw/zinc/32/28/15/520322815.db2.gz CMKNUJKUMQXSKL-UHFFFAOYSA-N 1 0 260.381 2.336 10 0 CEAERO CCNc1cccc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)n1 ZINC000051071508 520334881 /nfs/dbraw/zinc/33/48/81/520334881.db2.gz NNAYXCVCFUXTRY-ZDUSSCGKSA-N 1 0 292.427 2.220 10 0 CEAERO CCNc1ccnc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1 ZINC000050777048 520346588 /nfs/dbraw/zinc/34/65/88/520346588.db2.gz NDMNGZAGHFLAMN-AWEZNQCLSA-N 1 0 292.427 2.220 10 0 CEAERO CC1(C)CC[NH+](CC(=O)Nc2ccc(F)c(N)c2)CC1 ZINC000061818188 520378784 /nfs/dbraw/zinc/37/87/84/520378784.db2.gz CKKDAPPOCUMHLZ-UHFFFAOYSA-N 1 0 279.359 2.468 10 0 CEAERO CCCOc1ccc([C@H](C[NH3+])N(C)CCOC)cc1 ZINC000052920068 520428019 /nfs/dbraw/zinc/42/80/19/520428019.db2.gz UDSNUFPSJHAXNH-HNNXBMFYSA-N 1 0 266.385 2.053 10 0 CEAERO CCCOc1cccc(C(=O)N[C@@H]2CCCC[NH2+]C2)c1 ZINC000070120069 520444258 /nfs/dbraw/zinc/44/42/58/520444258.db2.gz AQEKPFBBMCXPGX-CQSZACIVSA-N 1 0 276.380 2.347 10 0 CEAERO CCCC[N@H+](CC)CC[C@H](NCC)C(=O)OCC ZINC000062438225 520475929 /nfs/dbraw/zinc/47/59/29/520475929.db2.gz QXQJUVCGIVSCNL-ZDUSSCGKSA-N 1 0 258.406 2.040 10 0 CEAERO CCCC[NH+](CCCC)CC[C@@H](NC(C)C)C(N)=O ZINC000062444437 520494154 /nfs/dbraw/zinc/49/41/54/520494154.db2.gz ZMVOVXYGDJDYPL-CQSZACIVSA-N 1 0 271.449 2.131 10 0 CEAERO CCO[C@H]1CCCN(c2nc(CC)c(C[NH3+])s2)C1 ZINC000055002323 520530161 /nfs/dbraw/zinc/53/01/61/520530161.db2.gz OBVKRIDHHOEEBX-JTQLQIEISA-N 1 0 269.414 2.170 10 0 CEAERO CCCC[N@H+](CC[C@@H](NC1CC1)C(=O)OCC)C1CC1 ZINC000062459096 520539870 /nfs/dbraw/zinc/53/98/70/520539870.db2.gz HRRIWXJRQKBQTM-OAHLLOKOSA-N 1 0 282.428 2.325 10 0 CEAERO CCCC[NH+]1CC(c2nc(-c3cccnc3)no2)C1 ZINC000049483582 520567978 /nfs/dbraw/zinc/56/79/78/520567978.db2.gz ZYUWVSNRESRJNX-UHFFFAOYSA-N 1 0 258.325 2.331 10 0 CEAERO CCOC(=O)CC(=O)C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000068813748 520590110 /nfs/dbraw/zinc/59/01/10/520590110.db2.gz CECVXZWEVTXCDK-JSGCOSHPSA-N 1 0 267.369 2.163 10 0 CEAERO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(NC)ccn1 ZINC000050721470 520628563 /nfs/dbraw/zinc/62/85/63/520628563.db2.gz CMYBZFREBQBRDQ-CYBMUJFWSA-N 1 0 292.427 2.364 10 0 CEAERO CC1(C)[C@H]2CC[C@]1(C)[C@H]([NH2+]Cc1cnn(CCO)c1)C2 ZINC000068690823 520682367 /nfs/dbraw/zinc/68/23/67/520682367.db2.gz VUZBZCJYPGCWPK-SQWLQELKSA-N 1 0 277.412 2.180 10 0 CEAERO CC[NH+](CC)CCN[C@]1(C(=O)OC)CCC[C@@H](C)[C@@H]1C ZINC000068631306 520689287 /nfs/dbraw/zinc/68/92/87/520689287.db2.gz ADADNRLLUZAXJO-IJEWVQPXSA-N 1 0 284.444 2.286 10 0 CEAERO CC[NH+](CC)CCN[C@@]1(C(=O)OC)C[C@H](C)CC[C@@H]1C ZINC000068631272 520690677 /nfs/dbraw/zinc/69/06/77/520690677.db2.gz QAEDJDYHZWPBMA-YCPHGPKFSA-N 1 0 284.444 2.286 10 0 CEAERO CC1(CN(CC(F)(F)F)C2CC2)CC[NH2+]CC1 ZINC000062841883 520702814 /nfs/dbraw/zinc/70/28/14/520702814.db2.gz MLMGWFXYYJHZMF-UHFFFAOYSA-N 1 0 250.308 2.403 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)NCC1(c2ccccc2C)CC1 ZINC000157956106 520719058 /nfs/dbraw/zinc/71/90/58/520719058.db2.gz OQDQXCOPEDWSLN-CQSZACIVSA-N 1 0 260.381 2.270 10 0 CEAERO CCOc1cc(F)ccc1NC(=O)C(C)(C)[NH2+]C ZINC000061316427 520742744 /nfs/dbraw/zinc/74/27/44/520742744.db2.gz GMURTBOHVCHQQB-UHFFFAOYSA-N 1 0 254.305 2.161 10 0 CEAERO CC[NH+](CC)[C@@H](Cn1c(=O)[nH][nH]c1=S)c1ccccc1 ZINC000061591594 520840639 /nfs/dbraw/zinc/84/06/39/520840639.db2.gz SBLCWVBJJCHTJE-LBPRGKRZSA-N 1 0 292.408 2.317 10 0 CEAERO CCC[C@@H]1C[C@H]([NH2+][C@@H](C)Cn2cccn2)CCO1 ZINC000070356532 520882528 /nfs/dbraw/zinc/88/25/28/520882528.db2.gz GVHVWAFFYAYLDT-BFHYXJOUSA-N 1 0 251.374 2.209 10 0 CEAERO CC1CCC(CNC(=O)C[C@H]2CCCC[NH2+]2)CC1 ZINC000063147037 520917052 /nfs/dbraw/zinc/91/70/52/520917052.db2.gz YWMZMUSTTPTLIZ-JXQTWKCFSA-N 1 0 252.402 2.461 10 0 CEAERO CCOC(=O)N1CCC([NH2+]C[C@@H](C)CSC)CC1 ZINC000069437207 520932529 /nfs/dbraw/zinc/93/25/29/520932529.db2.gz DXZYYIXEKIHKMC-LLVKDONJSA-N 1 0 274.430 2.196 10 0 CEAERO CC1CCC([N@H+](CC(N)=O)Cc2ccccc2N)CC1 ZINC000068606652 520938851 /nfs/dbraw/zinc/93/88/51/520938851.db2.gz JAHDIIULXMXKKY-UHFFFAOYSA-N 1 0 275.396 2.135 10 0 CEAERO CCC[C@@]1(C(=O)N(CC)CC2CC2)CCC[NH2+]C1 ZINC000069238244 520940898 /nfs/dbraw/zinc/94/08/98/520940898.db2.gz NCHCGEOGWULPSQ-OAHLLOKOSA-N 1 0 252.402 2.415 10 0 CEAERO CCC[C@@]1(C(=O)N(C)Cc2ccccc2OC)CC[NH2+]C1 ZINC000062896901 520941437 /nfs/dbraw/zinc/94/14/37/520941437.db2.gz UZIAJNZYZPJFQA-QGZVFWFLSA-N 1 0 290.407 2.433 10 0 CEAERO CCC[C@@]1(C(=O)N(C)[C@H](C)C2CC2)CCC[NH2+]C1 ZINC000062854011 520941611 /nfs/dbraw/zinc/94/16/11/520941611.db2.gz IYRGLYPKGQWEFP-IUODEOHRSA-N 1 0 252.402 2.413 10 0 CEAERO CC[N@H+](CCC(N)=S)Cc1ccc(OC)cc1 ZINC000068710490 520996669 /nfs/dbraw/zinc/99/66/69/520996669.db2.gz BTVSVOHWVKLDNO-UHFFFAOYSA-N 1 0 252.383 2.193 10 0 CEAERO CCC[C@H](CC)NS(=O)(=O)c1cccc2c1CC[NH2+]C2 ZINC000050406161 521083446 /nfs/dbraw/zinc/08/34/46/521083446.db2.gz NDHGEOGQINRHBJ-ZDUSSCGKSA-N 1 0 296.436 2.189 10 0 CEAERO CCOc1ccc(NC(=O)[C@@H](C)[NH2+]C)cc1OCC ZINC000052395656 521099495 /nfs/dbraw/zinc/09/94/95/521099495.db2.gz FAYDAPMVUHEKQR-SNVBAGLBSA-N 1 0 266.341 2.030 10 0 CEAERO CCC[C@H](C[NH2+]CC)Cc1nnnn1-c1ccccc1 ZINC000052969743 521101016 /nfs/dbraw/zinc/10/10/16/521101016.db2.gz GGLRJWPVRQKIBR-ZDUSSCGKSA-N 1 0 273.384 2.231 10 0 CEAERO CCC[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CC ZINC000061702695 521103086 /nfs/dbraw/zinc/10/30/86/521103086.db2.gz BCRJXEISPDDTOA-GFCCVEGCSA-N 1 0 255.383 2.239 10 0 CEAERO CCC[C@H]([NH3+])c1noc(-c2ccc3c(c2)CCO3)n1 ZINC000050892662 521121395 /nfs/dbraw/zinc/12/13/95/521121395.db2.gz YNVYUEZPZIWNTP-NSHDSACASA-N 1 0 259.309 2.471 10 0 CEAERO CCOC(=O)[C@@](C)(C[N@@H+]1CCCC(C)(C)C1)NC(C)C ZINC000069516507 521148536 /nfs/dbraw/zinc/14/85/36/521148536.db2.gz DXHAZKHEYWDIJN-MRXNPFEDSA-N 1 0 284.444 2.428 10 0 CEAERO CCOC(=O)[C@@](C[NH+]1CCC(C)CC1)(NC1CC1)C1CC1 ZINC000069092559 521168054 /nfs/dbraw/zinc/16/80/54/521168054.db2.gz KHYFGCJGFCTQRT-KRWDZBQOSA-N 1 0 294.439 2.182 10 0 CEAERO CCCC[C@H](C[NH2+]CC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000052952099 521192525 /nfs/dbraw/zinc/19/25/25/521192525.db2.gz DWDBGFZZEFBWRB-KGLIPLIRSA-N 1 0 275.458 2.473 10 0 CEAERO CCC[C@H]1CC[C@@H](O)[C@H]([N@@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000061652572 521212244 /nfs/dbraw/zinc/21/22/44/521212244.db2.gz QYVNDUGZSAPXJK-ZJIFWQFVSA-N 1 0 268.445 2.342 10 0 CEAERO CCC[C@]1(C(=O)N2CCSC[C@H]2C)CCC[NH2+]C1 ZINC000070221990 521298807 /nfs/dbraw/zinc/29/88/07/521298807.db2.gz QBIMLTGTKFOWEU-OCCSQVGLSA-N 1 0 270.442 2.120 10 0 CEAERO CCOC(=O)[C@](C[N@H+](C)CC(C)C)(NC(C)C)C1CC1 ZINC000069096668 521337749 /nfs/dbraw/zinc/33/77/49/521337749.db2.gz LVPHQOIPEHJOGN-MRXNPFEDSA-N 1 0 284.444 2.284 10 0 CEAERO CCC(CC)(C[NH3+])[C@H]1CS(=O)(=O)c2ccccc21 ZINC000054636529 521431138 /nfs/dbraw/zinc/43/11/38/521431138.db2.gz VTAVKIROCLARND-LBPRGKRZSA-N 1 0 267.394 2.323 10 0 CEAERO CCC(CC)(CO)[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000053070401 521458378 /nfs/dbraw/zinc/45/83/78/521458378.db2.gz UZEHHZPMQGGYAU-CQSZACIVSA-N 1 0 251.370 2.035 10 0 CEAERO CCC(CC)(CO)[NH2+]Cc1c(C)nc2ccccn21 ZINC000053066329 521458901 /nfs/dbraw/zinc/45/89/01/521458901.db2.gz XFCWWHVSTQQSCO-UHFFFAOYSA-N 1 0 261.369 2.283 10 0 CEAERO CCN(c1ccc(F)cc1C[NH2+]CCOC)[C@@H](C)COC ZINC000062737890 521489526 /nfs/dbraw/zinc/48/95/26/521489526.db2.gz JBRDWJSPAMGRDK-ZDUSSCGKSA-N 1 0 298.402 2.423 10 0 CEAERO CCN1C(=O)CC[C@@H]([NH3+])[C@H]1c1c(F)cccc1Cl ZINC000062211461 521519140 /nfs/dbraw/zinc/51/91/40/521519140.db2.gz LYGIIMOKTBUEQQ-MFKMUULPSA-N 1 0 270.735 2.490 10 0 CEAERO CCCc1nc(N2CCC[C@H]2C[NH+](C)C)sc1CO ZINC000061655631 521532269 /nfs/dbraw/zinc/53/22/69/521532269.db2.gz BIAVEGMPCCXPRV-NSHDSACASA-N 1 0 283.441 2.118 10 0 CEAERO CCC(CC)C[NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182482472 521535206 /nfs/dbraw/zinc/53/52/06/521535206.db2.gz GJOWQADCTWKXDR-CQSZACIVSA-N 1 0 292.427 2.250 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2cc3c(cc2N)NC(=O)CC3)C1 ZINC000049193213 521624967 /nfs/dbraw/zinc/62/49/67/521624967.db2.gz VBLHQMUVIWVLDJ-GFCCVEGCSA-N 1 0 288.395 2.050 10 0 CEAERO CCCn1c(S[C@H](c2ccccc2)[C@H](C)[NH3+])n[nH]c1=O ZINC000061594838 521635584 /nfs/dbraw/zinc/63/55/84/521635584.db2.gz XRRMVIVAQOOUHV-JQWIXIFHSA-N 1 0 292.408 2.162 10 0 CEAERO CCS(=O)(=O)CC[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH2+]C ZINC000054630791 521645170 /nfs/dbraw/zinc/64/51/70/521645170.db2.gz PHPQISMXWTUCBQ-MCIONIFRSA-N 1 0 275.458 2.472 10 0 CEAERO CCC[NH+](CCC)Cc1cccnc1C(N)=S ZINC000061659639 521648796 /nfs/dbraw/zinc/64/87/96/521648796.db2.gz SKZMSYIJLARFNX-UHFFFAOYSA-N 1 0 251.399 2.338 10 0 CEAERO CCCn1cc(N)cc1C(=O)N1CC[NH+]([C@H](C)CC)CC1 ZINC000055063623 521654180 /nfs/dbraw/zinc/65/41/80/521654180.db2.gz AGSLCPITGFHMIT-CYBMUJFWSA-N 1 0 292.427 2.037 10 0 CEAERO CCC1(C(=O)N(C)Cc2cccs2)CC[NH2+]CC1 ZINC000062848185 521659110 /nfs/dbraw/zinc/65/91/10/521659110.db2.gz JIGMTNKYGJUHQB-UHFFFAOYSA-N 1 0 266.410 2.486 10 0 CEAERO CCC1(C(=O)N2CCn3c(C)ccc3[C@@H]2C)CC[NH2+]CC1 ZINC000062848906 521665003 /nfs/dbraw/zinc/66/50/03/521665003.db2.gz ITRZWHOSEFUMOP-AWEZNQCLSA-N 1 0 289.423 2.480 10 0 CEAERO CCC1(C(=O)NCc2cccs2)CC[NH2+]CC1 ZINC000062848037 521668778 /nfs/dbraw/zinc/66/87/78/521668778.db2.gz NBKMIVYIRRTBDI-UHFFFAOYSA-N 1 0 252.383 2.144 10 0 CEAERO CCC1(CC)CC[NH+]([C@@H](C)C[C@@](C)(NC)C(N)=O)CC1 ZINC000068645349 521687932 /nfs/dbraw/zinc/68/79/32/521687932.db2.gz XOQSLKVEGWBAQO-DZGCQCFKSA-N 1 0 283.460 2.131 10 0 CEAERO CCC1(CC)C[NH2+][C@@H](C(C)C)CN1Cc1cnn(C)c1 ZINC000068704573 521690474 /nfs/dbraw/zinc/69/04/74/521690474.db2.gz YSZKABGQMIWYPX-OAHLLOKOSA-N 1 0 278.444 2.409 10 0 CEAERO CCNC(=O)CC[N@@H+]1CCC[C@H](c2nc(CC)cs2)C1 ZINC000157035506 521735537 /nfs/dbraw/zinc/73/55/37/521735537.db2.gz SNNJNXMOGBOOAH-LBPRGKRZSA-N 1 0 295.452 2.411 10 0 CEAERO CC[C@H](C)Oc1cccc(NC(=O)[C@H](C)C[NH3+])c1 ZINC000051780264 521778327 /nfs/dbraw/zinc/77/83/27/521778327.db2.gz VJJVLKDIQVUQCY-MNOVXSKESA-N 1 0 250.342 2.397 10 0 CEAERO C[NH+](C)CCOc1nnc(Cl)c2ccccc21 ZINC000050528828 521805071 /nfs/dbraw/zinc/80/50/71/521805071.db2.gz UFYCDULLHDIXJP-UHFFFAOYSA-N 1 0 251.717 2.224 10 0 CEAERO COCC[C@@H]([NH3+])c1nc(-c2ccc(OC)c(OC)c2)c[nH]1 ZINC000052811158 521833608 /nfs/dbraw/zinc/83/36/08/521833608.db2.gz VCDWTDSEYKHTBA-LLVKDONJSA-N 1 0 291.351 2.130 10 0 CEAERO COCC[C@@H]([NH3+])c1nc(-c2ccc(C)s2)c[nH]1 ZINC000052811203 521834221 /nfs/dbraw/zinc/83/42/21/521834221.db2.gz QGIFXOZWGGDVOE-SECBINFHSA-N 1 0 251.355 2.483 10 0 CEAERO C[NH+](C)C[C@@H]1CCCN1c1ccc(Cl)cc1N ZINC000061642823 521843957 /nfs/dbraw/zinc/84/39/57/521843957.db2.gz CIWNJOGHSYJFPX-NSHDSACASA-N 1 0 253.777 2.453 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1CCNc1ccccc1F ZINC000061655129 521868174 /nfs/dbraw/zinc/86/81/74/521868174.db2.gz NSNFIPDDVJBDLH-CYBMUJFWSA-N 1 0 265.376 2.264 10 0 CEAERO CCc1ccccc1NS(=O)(=O)C[C@H]1CCCC[NH2+]1 ZINC000049630866 521911917 /nfs/dbraw/zinc/91/19/17/521911917.db2.gz FXNWBLHOGNRURK-CYBMUJFWSA-N 1 0 282.409 2.133 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N(C)CCCCc1ccccc1 ZINC000061317418 521932435 /nfs/dbraw/zinc/93/24/35/521932435.db2.gz PAMKVTBHOBRLIV-UHFFFAOYSA-N 1 0 262.397 2.466 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N1CCC[C@H]1c1ccsc1 ZINC000061317356 521933421 /nfs/dbraw/zinc/93/34/21/521933421.db2.gz NMLVBVKFXIKOBY-NSHDSACASA-N 1 0 252.383 2.410 10 0 CEAERO C[NH2+]C1CCC(NC(=O)c2cccc3cccnc32)CC1 ZINC000061412351 521948411 /nfs/dbraw/zinc/94/84/11/521948411.db2.gz YPDPQNBKEVXSOU-UHFFFAOYSA-N 1 0 283.375 2.495 10 0 CEAERO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C[C@@H]1CCCOC1 ZINC000054602583 521952410 /nfs/dbraw/zinc/95/24/10/521952410.db2.gz VELRWGZNMJDGFF-AVOUXACISA-N 1 0 252.402 2.018 10 0 CEAERO COCC[C@](C)(C[NH3+])N(C)c1cc(C)cc(C)c1 ZINC000049985394 521996346 /nfs/dbraw/zinc/99/63/46/521996346.db2.gz DGEDUKIOFYVSGA-OAHLLOKOSA-N 1 0 250.386 2.494 10 0 CEAERO C[NH2+]C[C@@H](CCS(C)(=O)=O)Cc1cccc(Cl)c1 ZINC000052977588 522034478 /nfs/dbraw/zinc/03/44/78/522034478.db2.gz RWGSSMQHMANCQE-LBPRGKRZSA-N 1 0 289.828 2.153 10 0 CEAERO C[NH2+]C[C@@H](c1ccccc1)N1C[C@@H](C)OC(C)(C)C1 ZINC000052543635 522038683 /nfs/dbraw/zinc/03/86/83/522038683.db2.gz JCCYQRQXKDSSPP-HIFRSBDPSA-N 1 0 262.397 2.446 10 0 CEAERO CC[C@H](C)c1ccccc1OC[C@@]([NH2+]C)(C(N)=O)C1CC1 ZINC000069197826 522048602 /nfs/dbraw/zinc/04/86/02/522048602.db2.gz LGXKYGVBVYHXNU-SJCJKPOMSA-N 1 0 290.407 2.432 10 0 CEAERO C[NH2+]C[C@@H]1C[C@H]1c1cc(Cl)c2c(c1)OCCO2 ZINC000054588878 522061097 /nfs/dbraw/zinc/06/10/97/522061097.db2.gz VNSWNEIGWTVUAD-UWVGGRQHSA-N 1 0 253.729 2.434 10 0 CEAERO C[NH2+]C[C@@H]1CC[C@H](COc2ccc(F)cc2F)O1 ZINC000052650863 522061728 /nfs/dbraw/zinc/06/17/28/522061728.db2.gz PZKHMPCQMIVROE-WDEREUQCSA-N 1 0 257.280 2.111 10 0 CEAERO C[NH2+]C[C@H](OC[C@H]1CCCO1)c1cccc(F)c1 ZINC000050494231 522077512 /nfs/dbraw/zinc/07/75/12/522077512.db2.gz LXULQRJYVQBFJI-KGLIPLIRSA-N 1 0 253.317 2.282 10 0 CEAERO C[NH2+]C[C@H](c1ccccc1)N(C)[C@@H]1CCSC1 ZINC000052453672 522078490 /nfs/dbraw/zinc/07/84/90/522078490.db2.gz XNRMYOPREBSMAT-ZIAGYGMSSA-N 1 0 250.411 2.384 10 0 CEAERO C[NH2+]C[C@H]1C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000054588697 522099078 /nfs/dbraw/zinc/09/90/78/522099078.db2.gz NHUKAAIFABLYIS-MNOVXSKESA-N 1 0 251.326 2.035 10 0 CEAERO C[NH2+]Cc1c(C)nc(Cc2ccccc2OC)nc1C ZINC000054854020 522099429 /nfs/dbraw/zinc/09/94/29/522099429.db2.gz MUYUUHKLUCCUKQ-UHFFFAOYSA-N 1 0 271.364 2.412 10 0 CEAERO C[NH2+]Cc1c(C)nn(C)c1N1CC[C@H](c2ccccc2)C1 ZINC000050600352 522100890 /nfs/dbraw/zinc/10/08/90/522100890.db2.gz SMXQAOCBLXGEEH-HNNXBMFYSA-N 1 0 284.407 2.442 10 0 CEAERO C[NH2+]Cc1c(C)nc(Cc2ccc(OC)cc2)nc1C ZINC000054854078 522101244 /nfs/dbraw/zinc/10/12/44/522101244.db2.gz BDTFAESIIZKBGO-UHFFFAOYSA-N 1 0 271.364 2.412 10 0 CEAERO C[NH2+]Cc1cccc(OC)c1OCCc1cccnc1 ZINC000063221663 522132246 /nfs/dbraw/zinc/13/22/46/522132246.db2.gz XYKVXMXGVLQHLE-UHFFFAOYSA-N 1 0 272.348 2.431 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(c2nc3sccn3c2C=O)CC1 ZINC000055067521 522137395 /nfs/dbraw/zinc/13/73/95/522137395.db2.gz PUOSCAVSNWQNPT-LLVKDONJSA-N 1 0 292.408 2.129 10 0 CEAERO C[NH2+]Cc1nccn1Cc1cc(Br)cs1 ZINC000051004306 522153938 /nfs/dbraw/zinc/15/39/38/522153938.db2.gz LIBPLKWDGMLYQO-UHFFFAOYSA-N 1 0 286.198 2.475 10 0 CEAERO C[NH2+]Cc1nnnn1-c1c(Cl)cc(Cl)cc1Cl ZINC000054744555 522157545 /nfs/dbraw/zinc/15/75/45/522157545.db2.gz OSNCUVXJZIOOSQ-UHFFFAOYSA-N 1 0 292.557 2.342 10 0 CEAERO COC[C@@H](C)[N@H+](C)[C@@H](CC(N)=S)c1ccccc1 ZINC000055025147 522219259 /nfs/dbraw/zinc/21/92/59/522219259.db2.gz VEGXFXZNJHRGFT-YPMHNXCESA-N 1 0 266.410 2.371 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)Nc1nc2c(s1)CCCC2 ZINC000049559585 522227315 /nfs/dbraw/zinc/22/73/15/522227315.db2.gz HJHFEYAHAVFIIA-SECBINFHSA-N 1 0 267.398 2.349 10 0 CEAERO C[NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000052395618 522320423 /nfs/dbraw/zinc/32/04/23/522320423.db2.gz BLCNBGMWQSCQHG-IUCAKERBSA-N 1 0 285.185 2.234 10 0 CEAERO C[NH2+][C@@H](C)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000052395842 522320496 /nfs/dbraw/zinc/32/04/96/522320496.db2.gz UVVHLXZQUQXDDK-NEPJUHHUSA-N 1 0 260.381 2.351 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(NC(=O)NC[C@@H]2CCOC2)cc1 ZINC000061148538 522332400 /nfs/dbraw/zinc/33/24/00/522332400.db2.gz LDMUGPUTMKCYKN-RYUDHWBXSA-N 1 0 277.368 2.125 10 0 CEAERO CC[C@H]([NH3+])[C@@H](N1CCN(CC(F)(F)F)CC1)C(C)(C)C ZINC000061940800 522337927 /nfs/dbraw/zinc/33/79/27/522337927.db2.gz YFSJVLBZDRGXTD-NWDGAFQWSA-N 1 0 295.393 2.318 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1CC)c1cccs1 ZINC000061594404 522339358 /nfs/dbraw/zinc/33/93/58/522339358.db2.gz JWRCNLMXKOIOIL-WCBMZHEXSA-N 1 0 298.437 2.224 10 0 CEAERO C[NH2+][C@@H](C)c1nnc(-c2ccc(Br)o2)o1 ZINC000050618607 522340191 /nfs/dbraw/zinc/34/01/91/522340191.db2.gz ALRBXXZDXFWPFJ-YFKPBYRVSA-N 1 0 272.102 2.373 10 0 CEAERO C[NH2+][C@@H](COC)Cc1cc(Br)ccc1F ZINC000060697253 522353407 /nfs/dbraw/zinc/35/34/07/522353407.db2.gz GUYGAIJFNDEUQS-SNVBAGLBSA-N 1 0 276.149 2.365 10 0 CEAERO C[NH2+][C@@H](c1ccc2c(c1)CC(=O)N2C)[C@H]1CCCCO1 ZINC000050961627 522368989 /nfs/dbraw/zinc/36/89/89/522368989.db2.gz OAQDEJYYJKIYQY-ZBFHGGJFSA-N 1 0 274.364 2.035 10 0 CEAERO C[NH2+][C@@H](c1nccn1C)c1cccc2ncccc21 ZINC000061418638 522373931 /nfs/dbraw/zinc/37/39/31/522373931.db2.gz IJLYDANXHRTFSE-CQSZACIVSA-N 1 0 252.321 2.277 10 0 CEAERO C[NH2+][C@@](C)(CCCSCc1ccccc1C)C(N)=O ZINC000054964816 522411306 /nfs/dbraw/zinc/41/13/06/522411306.db2.gz OKFMCWUPFLKVRJ-HNNXBMFYSA-N 1 0 280.437 2.472 10 0 CEAERO C[NH2+][C@@](COc1cccc(C(C)(C)C)c1)(C(N)=O)C1CC1 ZINC000069198005 522430907 /nfs/dbraw/zinc/43/09/07/522430907.db2.gz SOTRPCMUOFCWJH-QGZVFWFLSA-N 1 0 290.407 2.216 10 0 CEAERO C[NH2+][C@@](CSc1cccc(Cl)c1)(C(N)=O)C1CC1 ZINC000069189496 522433019 /nfs/dbraw/zinc/43/30/19/522433019.db2.gz CRGPXQUSEUGGTA-CYBMUJFWSA-N 1 0 284.812 2.286 10 0 CEAERO C[NH2+][C@H](C)c1nnc(-c2ccc(OC)c(F)c2)o1 ZINC000061669704 522456070 /nfs/dbraw/zinc/45/60/70/522456070.db2.gz FCGQIOAGWOISBX-SSDOTTSWSA-N 1 0 251.261 2.165 10 0 CEAERO C[NH2+][C@H](C)c1nnn(-c2ccccc2COC)c1C ZINC000049511484 522455998 /nfs/dbraw/zinc/45/59/98/522455998.db2.gz PDZGMFTZGSEJES-SNVBAGLBSA-N 1 0 260.341 2.003 10 0 CEAERO C[NH2+][C@H](Cc1cnn(C)c1)Cc1ccccc1Cl ZINC000050543249 522475611 /nfs/dbraw/zinc/47/56/11/522475611.db2.gz HELRDVLDHSKYJC-CYBMUJFWSA-N 1 0 263.772 2.447 10 0 CEAERO C[NH2+][C@H](c1ccccc1)[C@@H](C)N(C)CCCOC ZINC000062030432 522485759 /nfs/dbraw/zinc/48/57/59/522485759.db2.gz MSBNBBFSPSUGBD-HIFRSBDPSA-N 1 0 250.386 2.304 10 0 CEAERO CCc1nc2cc(NC(=O)C(C)(C)[NH2+]C)ccc2o1 ZINC000061316793 522489235 /nfs/dbraw/zinc/48/92/35/522489235.db2.gz RVIFJFHUKGFCDU-UHFFFAOYSA-N 1 0 261.325 2.327 10 0 CEAERO CC[C@@H](CC[NH3+])NC(=O)Nc1ccc(F)cc1F ZINC000054162123 522496641 /nfs/dbraw/zinc/49/66/41/522496641.db2.gz UEOWSDVWCKUFDX-VIFPVBQESA-N 1 0 257.284 2.214 10 0 CEAERO CC[C@@H](CC[NH3+])NC(=O)[C@@H]1CCCc2ccccc21 ZINC000054668393 522497062 /nfs/dbraw/zinc/49/70/62/522497062.db2.gz FOUVXUUIMLNONJ-DZGCQCFKSA-N 1 0 260.381 2.350 10 0 CEAERO CCc1nc2ccccc2n1Cc1ccnc(C(N)=[NH2+])c1 ZINC000068762164 522504432 /nfs/dbraw/zinc/50/44/32/522504432.db2.gz MTCOFQRCTVSZMZ-UHFFFAOYSA-N 1 0 279.347 2.326 10 0 CEAERO C[NH2+][C@](C)(CCCO[C@H]1CCCc2ccccc21)C(N)=O ZINC000045502550 522513041 /nfs/dbraw/zinc/51/30/41/522513041.db2.gz DZVQMZNXWAPSMP-DOTOQJQBSA-N 1 0 290.407 2.324 10 0 CEAERO CC[C@H](NC(=O)[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000052342734 522513328 /nfs/dbraw/zinc/51/33/28/522513328.db2.gz ZEKZIEDUHLGHFN-KBPBESRZSA-N 1 0 252.402 2.461 10 0 CEAERO C[NH2+][C@](C)(CCCSc1cccc(C)c1)C(N)=O ZINC000045595624 522516107 /nfs/dbraw/zinc/51/61/07/522516107.db2.gz OQTKTMZWYRZYQR-CQSZACIVSA-N 1 0 266.410 2.331 10 0 CEAERO COc1cc(F)c([C@H]([NH3+])[C@H]2CCCCO2)cc1OC ZINC000061560337 522589837 /nfs/dbraw/zinc/58/98/37/522589837.db2.gz RKTGUYYMOSAZSE-RISCZKNCSA-N 1 0 269.316 2.412 10 0 CEAERO CNc1ccc(C)cc1C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000061656082 522601909 /nfs/dbraw/zinc/60/19/09/522601909.db2.gz BIVLALZFPWMAND-ZDUSSCGKSA-N 1 0 275.396 2.203 10 0 CEAERO CNc1ccc(Cl)c(CN2CC[NH+](C(C)C)CC2)n1 ZINC000061631274 522622874 /nfs/dbraw/zinc/62/28/74/522622874.db2.gz HKADUUHZHAVJIR-UHFFFAOYSA-N 1 0 282.819 2.303 10 0 CEAERO CC[C@H]([NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)C(C)C ZINC000049129684 522629756 /nfs/dbraw/zinc/62/97/56/522629756.db2.gz RFNZOAPJTDAYLZ-GJZGRUSLSA-N 1 0 299.436 2.148 10 0 CEAERO CC[C@@H]([NH3+])Cc1cnc(-c2ccccc2OC)nc1 ZINC000054858264 522645220 /nfs/dbraw/zinc/64/52/20/522645220.db2.gz KQGSJWDDQQXSLN-GFCCVEGCSA-N 1 0 257.337 2.432 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccccn1)N1CCC[C@@H]1CCCO ZINC000052757616 522648267 /nfs/dbraw/zinc/64/82/67/522648267.db2.gz HZNHVTZZALSFLV-FMKPAKJESA-N 1 0 277.412 2.097 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cnn(C)c1)N(C)C(C)(C)CC ZINC000069427669 522655754 /nfs/dbraw/zinc/65/57/54/522655754.db2.gz 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CC[C@H]1CN(c2c(C[NH2+]CC(C)C)c(C)nn2C)CCO1 ZINC000062735898 523302905 /nfs/dbraw/zinc/30/29/05/523302905.db2.gz LTHFDZRFEGRLMJ-AWEZNQCLSA-N 1 0 294.443 2.089 10 0 CEAERO CC[C@H]1CN([C@@H](C[NH3+])c2cc(F)c(F)c(F)c2)CCO1 ZINC000062710000 523303437 /nfs/dbraw/zinc/30/34/37/523303437.db2.gz DDIXAXDWRMOGMT-GWCFXTLKSA-N 1 0 288.313 2.215 10 0 CEAERO CC[C@@H]1CC[C@@H](O)[C@H]([N@@H+]2CC[C@H](N3CCCCC3)C2)C1 ZINC000062982396 523356205 /nfs/dbraw/zinc/35/62/05/523356205.db2.gz KVWSOKLXBFRBLK-YYIAUSFCSA-N 1 0 280.456 2.486 10 0 CEAERO CCn1cc(COc2cccc(C[C@H](C)[NH3+])c2)cn1 ZINC000050543429 523391779 /nfs/dbraw/zinc/39/17/79/523391779.db2.gz AJXFUQRUZBSKJR-LBPRGKRZSA-N 1 0 259.353 2.372 10 0 CEAERO CCn1cc(C[C@@H]([NH2+]C)c2ccc(OC)cc2)cn1 ZINC000050542234 523394986 /nfs/dbraw/zinc/39/49/86/523394986.db2.gz ULIWTZGQPRJBQM-OAHLLOKOSA-N 1 0 259.353 2.415 10 0 CEAERO CCn1cc(C[C@@H](Cc2nc(C)cs2)[NH2+]C)cn1 ZINC000055268019 523395080 /nfs/dbraw/zinc/39/50/80/523395080.db2.gz DFHLWHPZMNDNFU-LBPRGKRZSA-N 1 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RFZAEZOEQBSJMW-SQWLQELKSA-N 1 0 294.439 2.182 10 0 CEAERO CC[C@]1(C)C[NH2+]CCN1Cc1ccc(OC)c(OC)c1 ZINC000068696191 523577186 /nfs/dbraw/zinc/57/71/86/523577186.db2.gz VVQSXXGDMUGAOP-MRXNPFEDSA-N 1 0 278.396 2.278 10 0 CEAERO COc1ccc(C(=O)N(C)CCC2CC[NH2+]CC2)cc1F ZINC000061668780 523601696 /nfs/dbraw/zinc/60/16/96/523601696.db2.gz YSFXGVDWCUJFJX-UHFFFAOYSA-N 1 0 294.370 2.296 10 0 CEAERO COCCN(C)CC[NH2+][C@@H](c1ccc(OC)cc1)C1CC1 ZINC000061376951 523611391 /nfs/dbraw/zinc/61/13/91/523611391.db2.gz CWFCWXSTERNJDV-QGZVFWFLSA-N 1 0 292.423 2.314 10 0 CEAERO CC[C@]1(c2nc(-c3ccccc3OC)no2)CC[NH2+]C1 ZINC000062917442 523629903 /nfs/dbraw/zinc/62/99/03/523629903.db2.gz ZPCOHKFBFRDGBN-HNNXBMFYSA-N 1 0 273.336 2.386 10 0 CEAERO COCCN(CC(C)C)C(=O)CCC1CCC([NH3+])CC1 ZINC000055133060 523671345 /nfs/dbraw/zinc/67/13/45/523671345.db2.gz HBVSJFAWMHJFPI-UHFFFAOYSA-N 1 0 284.444 2.415 10 0 CEAERO COCC[NH+](CCOC)C[C@@H]1C[C@@H](C(C)C)CCC1=O ZINC000054559292 523715196 /nfs/dbraw/zinc/71/51/96/523715196.db2.gz ZAGRHOKCJWHGSV-GJZGRUSLSA-N 1 0 285.428 2.223 10 0 CEAERO COCCN(CCOC)CC1(C[NH2+]C(C)C)CCCC1 ZINC000051258258 523715766 /nfs/dbraw/zinc/71/57/66/523715766.db2.gz WUFFAXCCFAKQQL-UHFFFAOYSA-N 1 0 286.460 2.140 10 0 CEAERO COc1ccc(C(=O)Nc2cc(C[NH3+])ccc2C)c(O)c1 ZINC000050430643 523745059 /nfs/dbraw/zinc/74/50/59/523745059.db2.gz IJJVLLLGVRTNDG-UHFFFAOYSA-N 1 0 286.331 2.420 10 0 CEAERO CCc1cc(N2CCC[C@@H](C[NH2+]C(C)C)C2)ncn1 ZINC000053702045 523793198 /nfs/dbraw/zinc/79/31/98/523793198.db2.gz QUTCLLDIFGJYFU-ZDUSSCGKSA-N 1 0 262.401 2.253 10 0 CEAERO COc1ccc(C)cc1C(=O)NCc1ccc(C[NH3+])cc1 ZINC000052943294 523802749 /nfs/dbraw/zinc/80/27/49/523802749.db2.gz VTIGENVVJPVZGM-UHFFFAOYSA-N 1 0 284.359 2.392 10 0 CEAERO COc1ccc(C)cc1C(=O)N[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000052943446 523803181 /nfs/dbraw/zinc/80/31/81/523803181.db2.gz YQNYJTNQPFRSKR-JSGCOSHPSA-N 1 0 276.380 2.264 10 0 CEAERO COC(=O)[C@@](C)(C[C@@H](C)[NH+]1CCC(C)CC1)NC(C)C ZINC000068618571 523814187 /nfs/dbraw/zinc/81/41/87/523814187.db2.gz TVZVCCYZQXSLCQ-GDBMZVCRSA-N 1 0 284.444 2.427 10 0 CEAERO CC[C@H](C)C[N@H+](C)C[C@](NC(C)C)(C(=O)OC)C1CC1 ZINC000069098580 523869593 /nfs/dbraw/zinc/86/95/93/523869593.db2.gz WFTHRYUDIIVISJ-XJKSGUPXSA-N 1 0 284.444 2.284 10 0 CEAERO CC[C@H](C)N(CCOC)c1cnc(C(C)C)nc1C[NH3+] ZINC000051397919 523938578 /nfs/dbraw/zinc/93/85/78/523938578.db2.gz HHORJEDWNPGNAQ-LBPRGKRZSA-N 1 0 280.416 2.310 10 0 CEAERO COC(=O)[C@H](c1ccccc1)n1c(N)[nH+]c2ccccc21 ZINC000050512255 523939711 /nfs/dbraw/zinc/93/97/11/523939711.db2.gz HLRRACVPSFSNJY-AWEZNQCLSA-N 1 0 281.315 2.381 10 0 CEAERO COCC[NH2+]C[C@@H]1C[C@@H]1c1ccc(OC)c(OC)c1 ZINC000054598501 523941665 /nfs/dbraw/zinc/94/16/65/523941665.db2.gz ZPPONHJMUZJNCP-QWHCGFSZSA-N 1 0 265.353 2.043 10 0 CEAERO COCC[NH2+]C[C@@H]1C[C@H]1c1ccc(Br)o1 ZINC000054598439 523941786 /nfs/dbraw/zinc/94/17/86/523941786.db2.gz QVNURBKLOLOSBD-DTWKUNHWSA-N 1 0 274.158 2.382 10 0 CEAERO COCC[NH2+]C[C@H]1C[C@H]1c1ccc(OC)c(OC)c1 ZINC000054598504 523944404 /nfs/dbraw/zinc/94/44/04/523944404.db2.gz ZPPONHJMUZJNCP-OLZOCXBDSA-N 1 0 265.353 2.043 10 0 CEAERO COCC[NH2+]C[C@H]1C[C@]1(C)c1ccc(F)c(F)c1 ZINC000054599021 523944504 /nfs/dbraw/zinc/94/45/04/523944504.db2.gz PZRBCJASPCBDRK-BXUZGUMPSA-N 1 0 255.308 2.478 10 0 CEAERO COCC[NH2+]C[C@H]1C[C@H]1c1ccc(OC)cc1OC ZINC000054598540 523944930 /nfs/dbraw/zinc/94/49/30/523944930.db2.gz WHNBKKAEANTSRJ-BXUZGUMPSA-N 1 0 265.353 2.043 10 0 CEAERO COCC[NH2+]Cc1c(C)nn(C)c1N1CCC[C@H](C)[C@@H]1C ZINC000062738044 523947014 /nfs/dbraw/zinc/94/70/14/523947014.db2.gz SOTVXXVIVSMTKR-JSGCOSHPSA-N 1 0 294.443 2.089 10 0 CEAERO COCC[NH2+]Cc1cc(OC)ccc1OCC(F)(F)F ZINC000062727689 523950692 /nfs/dbraw/zinc/95/06/92/523950692.db2.gz XZIULIXURWXNBF-UHFFFAOYSA-N 1 0 293.285 2.372 10 0 CEAERO COCC[NH2+]Cc1ccccc1N1C[C@H]2CC[C@@H]1C2 ZINC000062737455 523955829 /nfs/dbraw/zinc/95/58/29/523955829.db2.gz RUCLMKZGSGQBHX-DZGCQCFKSA-N 1 0 260.381 2.411 10 0 CEAERO CCc1ccc(N(C)CC[NH2+]CCCOC)cc1 ZINC000053433848 523958396 /nfs/dbraw/zinc/95/83/96/523958396.db2.gz BUIRNCPBGZCEEZ-UHFFFAOYSA-N 1 0 250.386 2.311 10 0 CEAERO CO[C@H]1CCC[C@H](O[C@@H](CC[NH3+])C(F)(F)F)C1 ZINC000070323794 523983602 /nfs/dbraw/zinc/98/36/02/523983602.db2.gz MZOYFQDRUXZLQU-GUBZILKMSA-N 1 0 255.280 2.240 10 0 CEAERO COC(=O)[C@](C)(C[C@H](C)[N@@H+]1CCCC[C@@H]1C)NC1CC1 ZINC000068618949 524000360 /nfs/dbraw/zinc/00/03/60/524000360.db2.gz MOWUHIXEJIIXRA-XEZPLFJOSA-N 1 0 282.428 2.323 10 0 CEAERO CN1c2ccc([C@@H]([NH3+])[C@@H]3CCCOC3)cc2CCC1=O ZINC000062806414 524033087 /nfs/dbraw/zinc/03/30/87/524033087.db2.gz ZYYMMVNWIJSDRO-CZUORRHYSA-N 1 0 274.364 2.022 10 0 CEAERO C[NH+](C)C(C)(C)CNC(=O)c1cccc2c1NCCC2 ZINC000050958088 524033224 /nfs/dbraw/zinc/03/32/24/524033224.db2.gz CFUMODFCIUSHIV-UHFFFAOYSA-N 1 0 275.396 2.115 10 0 CEAERO CCc1ccc([C@H](C)[NH2+][C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000069135937 524047252 /nfs/dbraw/zinc/04/72/52/524047252.db2.gz MUSYGNIFHNQGAN-SWLSCSKDSA-N 1 0 281.421 2.477 10 0 CEAERO CCc1ccc([C@H](CN2CCCOCC2)[NH2+]C)cc1 ZINC000061917979 524048115 /nfs/dbraw/zinc/04/81/15/524048115.db2.gz IBSLURHQCBNKGZ-INIZCTEOSA-N 1 0 262.397 2.232 10 0 CEAERO COc1ccc(C[NH2+]C(C)(C)C)cc1O[C@H]1CCOC1=O ZINC000062732468 524068771 /nfs/dbraw/zinc/06/87/71/524068771.db2.gz XDHZGWVUJHLJPV-ZDUSSCGKSA-N 1 0 293.363 2.278 10 0 CEAERO CNC(=O)[C@@H](CC(C)C)[NH2+]Cc1ccc(F)cc1C ZINC000050576383 524081021 /nfs/dbraw/zinc/08/10/21/524081021.db2.gz HYPDNSOUPVPLKD-CQSZACIVSA-N 1 0 266.360 2.384 10 0 CEAERO COc1ccc(C[NH2+][C@@H](CN(C)C)C(C)C)cc1 ZINC000049195074 524083753 /nfs/dbraw/zinc/08/37/53/524083753.db2.gz NMWQQNWQTOOSJN-HNNXBMFYSA-N 1 0 250.386 2.371 10 0 CEAERO C[C@H]1CCC[C@@](CNCc2ccncn2)([NH+](C)C)C1 ZINC000054789755 524169750 /nfs/dbraw/zinc/16/97/50/524169750.db2.gz WBDLXKKZQIRYOY-DZGCQCFKSA-N 1 0 262.401 2.077 10 0 CEAERO C[C@H]1CCC[C@H](C)C12NC(=O)N(CC[NH2+]C(C)(C)C)C2=O ZINC000048784856 524181194 /nfs/dbraw/zinc/18/11/94/524181194.db2.gz GVGVLCHEIUWXQB-RYUDHWBXSA-N 1 0 295.427 2.121 10 0 CEAERO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccnc(C(N)=S)c1 ZINC000068751811 524189809 /nfs/dbraw/zinc/18/98/09/524189809.db2.gz DLEFGKRTPPAXCX-QWRGUYRKSA-N 1 0 263.410 2.479 10 0 CEAERO Cc1cccc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1N ZINC000049550951 524212339 /nfs/dbraw/zinc/21/23/39/524212339.db2.gz KTYCSAODNDEGCS-CYBMUJFWSA-N 1 0 277.412 2.283 10 0 CEAERO C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(F)cc2N)[C@@H]1C ZINC000050562904 524216499 /nfs/dbraw/zinc/21/64/99/524216499.db2.gz AVFIRQIALRUTJS-GHMZBOCLSA-N 1 0 279.359 2.467 10 0 CEAERO Cc1cc(C)c(C(=O)[O-])c(N[C@H](C)CC[NH+](C)C)[nH+]1 ZINC000049560489 524245217 /nfs/dbraw/zinc/24/52/17/524245217.db2.gz OTUCTODTWTYHLG-SNVBAGLBSA-N 1 0 265.357 2.149 10 0 CEAERO C[C@H](C[NH3+])C(=O)Nc1cccc(NC(=O)C(C)(C)C)c1 ZINC000054344831 524305293 /nfs/dbraw/zinc/30/52/93/524305293.db2.gz TVCGSWFWGHMFQC-SNVBAGLBSA-N 1 0 277.368 2.205 10 0 CEAERO COc1ccc(F)cc1CN1[C@@H](C)C[NH2+]C[C@@H]1C ZINC000069134425 524310122 /nfs/dbraw/zinc/31/01/22/524310122.db2.gz GJCIQYIJSSMYCL-QWRGUYRKSA-N 1 0 252.333 2.017 10 0 CEAERO C[C@H](C[NH+]1CCCC1)N[C@@H](c1ccco1)c1nccn1C ZINC000049150904 524320198 /nfs/dbraw/zinc/32/01/98/524320198.db2.gz DEDBYCSVBNGOMI-HIFRSBDPSA-N 1 0 288.395 2.176 10 0 CEAERO C[C@H]1CC[C@@H](C[NH3+])CN1C(=O)c1ccccc1F ZINC000070180679 524352382 /nfs/dbraw/zinc/35/23/82/524352382.db2.gz GNGZXYCXUUFXTO-QWRGUYRKSA-N 1 0 250.317 2.025 10 0 CEAERO C[C@H]1CC[C@@H](NC(=O)[C@H]([NH3+])Cc2ccccc2)C[C@@H]1C ZINC000068584390 524366551 /nfs/dbraw/zinc/36/65/51/524366551.db2.gz HJGKAPSRVGIPBJ-WMHQRMGPSA-N 1 0 274.408 2.497 10 0 CEAERO C[C@@H]1CCC[C@H](NC(=O)[C@@H]2CC[C@H]([NH3+])[C@H](C)C2)C1 ZINC000055126921 524404221 /nfs/dbraw/zinc/40/42/21/524404221.db2.gz MLZUNGIHVTVPAH-POQQGIQPSA-N 1 0 252.402 2.445 10 0 CEAERO C[C@H]1CC[C@H](CN2C(=O)CC3(CCCCC3)C2=O)C[NH2+]1 ZINC000062037607 524406416 /nfs/dbraw/zinc/40/64/16/524406416.db2.gz LIWXOUFAHQELAO-STQMWFEESA-N 1 0 278.396 2.084 10 0 CEAERO C[C@@H](CC(N)=O)C[C@@H]([NH3+])c1ccc2c(c1)CC(C)(C)O2 ZINC000061830734 524415448 /nfs/dbraw/zinc/41/54/48/524415448.db2.gz BEVYXBXPWPLDFL-ZWNOBZJWSA-N 1 0 276.380 2.302 10 0 CEAERO COc1ccc(NC(=O)C2CCC([NH3+])CC2)c(C)c1 ZINC000061568146 524470979 /nfs/dbraw/zinc/47/09/79/524470979.db2.gz MQNOLFBERPCVAQ-UHFFFAOYSA-N 1 0 262.353 2.460 10 0 CEAERO C[C@H](C[NH2+]C1CC1)Oc1cncc(Br)c1 ZINC000070044125 524478434 /nfs/dbraw/zinc/47/84/34/524478434.db2.gz GNWNXCQLPFTAFT-MRVPVSSYSA-N 1 0 271.158 2.363 10 0 CEAERO COc1ccccc1N(C)C(=O)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000049973037 524523925 /nfs/dbraw/zinc/52/39/25/524523925.db2.gz NCMZTYMGQNSVCN-NEPJUHHUSA-N 1 0 262.353 2.046 10 0 CEAERO Cc1cc(C)n(C[C@@H]2CC[C@@H](C[NH2+]CC(C)C)O2)n1 ZINC000052575934 524534651 /nfs/dbraw/zinc/53/46/51/524534651.db2.gz ANMPHLCJFAJFMC-GJZGRUSLSA-N 1 0 265.401 2.293 10 0 CEAERO C[C@@H]1CC[C@@H](CNC(=O)Nc2ccccc2F)C[NH2+]1 ZINC000062037329 524593975 /nfs/dbraw/zinc/59/39/75/524593975.db2.gz XVGYCBOXNOCMRD-GHMZBOCLSA-N 1 0 265.332 2.335 10 0 CEAERO C[C@H]1CN(Cc2cccc(C[NH2+]C3CC3)c2)CCO1 ZINC000052382321 524624520 /nfs/dbraw/zinc/62/45/20/524624520.db2.gz NZQDDMFSBJPSBQ-ZDUSSCGKSA-N 1 0 260.381 2.159 10 0 CEAERO C[C@H](Cc1ccc(F)cc1)[NH2+]CCC(=O)NC1CC1 ZINC000062052576 524695937 /nfs/dbraw/zinc/69/59/37/524695937.db2.gz IGHRSJMBYKUCDE-LLVKDONJSA-N 1 0 264.344 2.015 10 0 CEAERO C[C@@H]1CC[C@H](NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)C[C@@H]1C ZINC000068584513 524697401 /nfs/dbraw/zinc/69/74/01/524697401.db2.gz MQXXFVXZKBHUJJ-BLFANLJRSA-N 1 0 292.345 2.469 10 0 CEAERO C[C@H]1CSCCN1c1ccc(C(N)=[NH2+])cc1F ZINC000070220041 524756931 /nfs/dbraw/zinc/75/69/31/524756931.db2.gz GVNNTEJGIIZLPB-QMMMGPOBSA-N 1 0 253.346 2.051 10 0 CEAERO Cc1cc(CO)ccc1N1CCC(C[NH+](C)C)CC1 ZINC000050561124 524795203 /nfs/dbraw/zinc/79/52/03/524795203.db2.gz PICXAEONQLKOEB-UHFFFAOYSA-N 1 0 262.397 2.265 10 0 CEAERO C[C@H]([NH3+])CCC(=O)Nc1cc(C(=O)N(C)C)ccc1Cl ZINC000070315094 524830133 /nfs/dbraw/zinc/83/01/33/524830133.db2.gz BNLULAYEJJGJBO-VIFPVBQESA-N 1 0 297.786 2.108 10 0 CEAERO C[C@H]([NH3+])Cc1ccnc(C2(c3ccccc3)CC2)n1 ZINC000062782321 524834988 /nfs/dbraw/zinc/83/49/88/524834988.db2.gz JILSPAPULFGWDE-LBPRGKRZSA-N 1 0 253.349 2.446 10 0 CEAERO Cc1cc(C[C@H](C[NH3+])C(=O)N2CCCCC2)ccc1F ZINC000050544426 524836535 /nfs/dbraw/zinc/83/65/35/524836535.db2.gz LILFHOGYITVEEB-CQSZACIVSA-N 1 0 278.371 2.264 10 0 CEAERO C[C@H]([NH3+])[C@@H](N(CCO)Cc1ccccc1)C(C)(C)C ZINC000050514059 524837024 /nfs/dbraw/zinc/83/70/24/524837024.db2.gz ICXKGIAZPOIDDM-DZGCQCFKSA-N 1 0 264.413 2.243 10 0 CEAERO Cc1ccc(F)cc1-c1nnc(CC[NH2+]C2CC2)o1 ZINC000062667247 524837890 /nfs/dbraw/zinc/83/78/90/524837890.db2.gz USASZSQQYWUUDN-UHFFFAOYSA-N 1 0 261.300 2.479 10 0 CEAERO C[C@H]([NH3+])[C@@H](Sc1ncnc2[nH]cnc21)C(C)(C)C ZINC000051036264 524837808 /nfs/dbraw/zinc/83/78/08/524837808.db2.gz MVRJSZPPWULNLN-IONNQARKSA-N 1 0 265.386 2.207 10 0 CEAERO Cc1ccc(F)cc1C(=O)N[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000062665065 524844785 /nfs/dbraw/zinc/84/47/85/524844785.db2.gz WENFZAXIEPPYSK-SMDDNHRTSA-N 1 0 264.344 2.395 10 0 CEAERO Cc1ccc(F)cc1C(=O)Nc1ccc(C[NH3+])cn1 ZINC000062664250 524847693 /nfs/dbraw/zinc/84/76/93/524847693.db2.gz HZADLBFGQPWMAE-UHFFFAOYSA-N 1 0 259.284 2.240 10 0 CEAERO COc1ccc(OC)c([C@@H]([NH3+])C[C@@H]2CCCO2)c1 ZINC000055234640 524885484 /nfs/dbraw/zinc/88/54/84/524885484.db2.gz UBAQSLMYHBINAJ-AAEUAGOBSA-N 1 0 251.326 2.273 10 0 CEAERO C[C@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(=O)c1cccc2cccnc21 ZINC000061416016 524973614 /nfs/dbraw/zinc/97/36/14/524973614.db2.gz USEBAYHFCVQURT-WHOFXGATSA-N 1 0 281.359 2.057 10 0 CEAERO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1nnc(C(C)(C)C)o1 ZINC000063195869 525007662 /nfs/dbraw/zinc/00/76/62/525007662.db2.gz GTJJYDVVSWWCID-MNOVXSKESA-N 1 0 266.389 2.069 10 0 CEAERO COc1ncccc1C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000061442709 525042989 /nfs/dbraw/zinc/04/29/89/525042989.db2.gz DJNWJQXVGIJVBP-SNVBAGLBSA-N 1 0 271.320 2.362 10 0 CEAERO Cc1ccc(NC(=O)CN2[C@H](C)CCC[C@@H]2C[NH3+])cc1F ZINC000070155646 525057758 /nfs/dbraw/zinc/05/77/58/525057758.db2.gz OJMLBWUTKGEJJO-TZMCWYRMSA-N 1 0 293.386 2.274 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C)N1CCOc1ccc(Cl)cc1 ZINC000069134711 525097408 /nfs/dbraw/zinc/09/74/08/525097408.db2.gz KLXRNQAJQUOEQC-VXGBXAGGSA-N 1 0 268.788 2.401 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H](C)N1C(=O)Nc1ccccc1F ZINC000069133499 525101299 /nfs/dbraw/zinc/10/12/99/525101299.db2.gz FOCLJMWNULVWOM-AOOOYVTPSA-N 1 0 251.305 2.040 10 0 CEAERO C[C@@H]1COCCN1c1nc(C(C)(C)C)c(C[NH3+])s1 ZINC000054997314 525130203 /nfs/dbraw/zinc/13/02/03/525130203.db2.gz MIGBMYVAEYNWNV-SECBINFHSA-N 1 0 269.414 2.124 10 0 CEAERO C[C@]([NH3+])(C(=O)NCc1ccc(F)c(F)c1)c1ccccc1 ZINC000052882915 525144287 /nfs/dbraw/zinc/14/42/87/525144287.db2.gz FIXGXBQIUQERLG-MRXNPFEDSA-N 1 0 290.313 2.455 10 0 CEAERO C[C@H](NC(=O)[C@@]1(C)CC[NH2+]C1)c1ccc(F)cc1 ZINC000062899285 525158486 /nfs/dbraw/zinc/15/84/86/525158486.db2.gz CZLBZGXZBMJQHI-HZMBPMFUSA-N 1 0 250.317 2.003 10 0 CEAERO C[C@]1(C(=O)Nc2cc(Cl)ccc2F)CC[NH2+]C1 ZINC000062890492 525218529 /nfs/dbraw/zinc/21/85/29/525218529.db2.gz KOQVRWBITIPYQF-LBPRGKRZSA-N 1 0 256.708 2.417 10 0 CEAERO Cc1ccccc1N(CCC[NH3+])C(=O)[C@H]1CCCCO1 ZINC000050958278 525219054 /nfs/dbraw/zinc/21/90/54/525219054.db2.gz PQZGNRHPFSBNLI-OAHLLOKOSA-N 1 0 276.380 2.246 10 0 CEAERO C[C@H](NC(=O)c1ccc2c(c1)C[NH2+]C2)c1ccccn1 ZINC000156655096 525221099 /nfs/dbraw/zinc/22/10/99/525221099.db2.gz LHOAVMNJMZEAPB-NSHDSACASA-N 1 0 267.332 2.176 10 0 CEAERO CS(=O)(=O)c1ccccc1NCc1ccccc1C[NH3+] ZINC000061841454 525278666 /nfs/dbraw/zinc/27/86/66/525278666.db2.gz BNYPRCUNCRFHDG-UHFFFAOYSA-N 1 0 290.388 2.161 10 0 CEAERO Cc1ccc(NCCN(C)CC[NH+]2CCCC2)cc1 ZINC000063054320 525279181 /nfs/dbraw/zinc/27/91/81/525279181.db2.gz GRNSOBZYKCRCJW-UHFFFAOYSA-N 1 0 261.413 2.435 10 0 CEAERO C[C@@H](NC(=O)[C@H](C)C1C[NH2+]C1)c1cccc(Cl)c1 ZINC000164315005 525279604 /nfs/dbraw/zinc/27/96/04/525279604.db2.gz RLNYJGPDHYWWGM-NXEZZACHSA-N 1 0 266.772 2.373 10 0 CEAERO C[C@@H]1C[C@@H]1[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000052273309 525329351 /nfs/dbraw/zinc/32/93/51/525329351.db2.gz SXDSUANJNZYROY-PWSUYJOCSA-N 1 0 254.374 2.384 10 0 CEAERO C[C@@H](NC(=O)c1ccc2c(c1)C[NH2+]C2)c1cccnc1 ZINC000156654688 525335435 /nfs/dbraw/zinc/33/54/35/525335435.db2.gz JYVTXSWZSRECAC-LLVKDONJSA-N 1 0 267.332 2.176 10 0 CEAERO COc1ccc([C@H](C)O)cc1CN1CCC[C@@H]1C[NH+](C)C ZINC000061652547 525340176 /nfs/dbraw/zinc/34/01/76/525340176.db2.gz LECLNKIQMYYPPU-XJKSGUPXSA-N 1 0 292.423 2.275 10 0 CEAERO COc1ccc([C@H]([NH3+])c2cccnc2OC)cc1OC ZINC000061443082 525363198 /nfs/dbraw/zinc/36/31/98/525363198.db2.gz RGDOIKDRANTCCR-AWEZNQCLSA-N 1 0 274.320 2.156 10 0 CEAERO COc1ccc([C@H]([NH3+])C2CCOCC2)cc1OC ZINC000061671348 525363370 /nfs/dbraw/zinc/36/33/70/525363370.db2.gz FFWULQFCHFCQCW-CQSZACIVSA-N 1 0 251.326 2.130 10 0 CEAERO Cc1cc(SCc2[nH+]c(NN)ccc2Cl)n(C)n1 ZINC000061640274 525438874 /nfs/dbraw/zinc/43/88/74/525438874.db2.gz GCIPPICEJKJSMN-UHFFFAOYSA-N 1 0 283.788 2.355 10 0 CEAERO Cc1nc[nH]c1CNCCC[N@H+]1CCCC[C@H]1C ZINC000054793699 525460578 /nfs/dbraw/zinc/46/05/78/525460578.db2.gz ZOZCWUCZJWGDGI-GFCCVEGCSA-N 1 0 250.390 2.072 10 0 CEAERO Cc1nc[nH]c1CNCCC[N@@H+](C)C1CCCCC1 ZINC000054796841 525461099 /nfs/dbraw/zinc/46/10/99/525461099.db2.gz LRCSSCDRMYEFTG-UHFFFAOYSA-N 1 0 264.417 2.462 10 0 CEAERO CSCCC[NH2+]C[C@H](O)COCCCC(C)C ZINC000069446881 525477054 /nfs/dbraw/zinc/47/70/54/525477054.db2.gz SRHSOBQHQGUATI-ZDUSSCGKSA-N 1 0 263.447 2.143 10 0 CEAERO Cc1cc([C@@H]2[C@H]([NH3+])CCCC(=O)N2C)c(C)s1 ZINC000070292339 525499283 /nfs/dbraw/zinc/49/92/83/525499283.db2.gz HVUYXZLHKXNSJR-DGCLKSJQSA-N 1 0 252.383 2.376 10 0 CEAERO C[C@@H]([NH2+]Cc1cc(=O)oc2cc(O)ccc12)[C@@H]1CCCO1 ZINC000183180154 525511363 /nfs/dbraw/zinc/51/13/63/525511363.db2.gz VHVKKIDSWVIJBT-YGRLFVJLSA-N 1 0 289.331 2.156 10 0 CEAERO C[C@H]([NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1)C(=O)NC(N)=O ZINC000056194653 525529628 /nfs/dbraw/zinc/52/96/28/525529628.db2.gz KLBPIOAAHGOGMO-QWRGUYRKSA-N 1 0 291.395 2.218 10 0 CEAERO Cc1cccnc1NC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000061611009 525540806 /nfs/dbraw/zinc/54/08/06/525540806.db2.gz LCZQAQFRDZYVSS-ZDUSSCGKSA-N 1 0 255.321 2.071 10 0 CEAERO CSC[C@@H](C)C[NH2+]C1CN(C(=O)OC(C)(C)C)C1 ZINC000069435659 525621963 /nfs/dbraw/zinc/62/19/63/525621963.db2.gz UQPZWZFIWHAUQE-JTQLQIEISA-N 1 0 274.430 2.194 10 0 CEAERO CSC[C@@H](C)C[NH2+][C@@H]1CS(=O)(=O)c2ccccc21 ZINC000069441263 525623354 /nfs/dbraw/zinc/62/33/54/525623354.db2.gz BXEPGYXZZPOMGD-CMPLNLGQSA-N 1 0 285.434 2.104 10 0 CEAERO Cc1ccnc(S[C@@H]([C@H](C)[NH3+])C(F)(F)F)n1 ZINC000051331546 525710826 /nfs/dbraw/zinc/71/08/26/525710826.db2.gz FZXDLNALPHXEPW-BQBZGAKWSA-N 1 0 251.277 2.155 10 0 CEAERO C[C@@](O)(c1occc1Br)[C@H]1CCC[NH2+]C1 ZINC000068981109 525781258 /nfs/dbraw/zinc/78/12/58/525781258.db2.gz XAZBSDVNDAFDCR-KWQFWETISA-N 1 0 274.158 2.249 10 0 CEAERO Cc1ccc([C@@H](Sc2ncnc3[nH]cnc32)[C@@H](C)[NH3+])o1 ZINC000051036177 525785894 /nfs/dbraw/zinc/78/58/94/525785894.db2.gz MCOMHUWGYCSWIM-KCJUWKMLSA-N 1 0 289.364 2.435 10 0 CEAERO C[C@@H](OC1CCC([NH3+])CC1)C(=O)N1CCCCCC1 ZINC000055142935 525898788 /nfs/dbraw/zinc/89/87/88/525898788.db2.gz VDSPXDSAUAWVQC-IYXRBSQSSA-N 1 0 268.401 2.064 10 0 CEAERO C[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H]1CCC[C@@H]1[NH3+] ZINC000063172088 525940522 /nfs/dbraw/zinc/94/05/22/525940522.db2.gz ZAOWWGSPJPGVOT-ICCXJUOJSA-N 1 0 282.771 2.103 10 0 CEAERO Cc1ccc(C(N)=[NH2+])c(N(C)CCc2ccccn2)c1 ZINC000051579125 526010983 /nfs/dbraw/zinc/01/09/83/526010983.db2.gz ZLWOXSPEYPIZHS-UHFFFAOYSA-N 1 0 268.364 2.353 10 0 CEAERO COc1cccc(C[NH2+]CC(C)C)c1OCc1ncon1 ZINC000062732320 526013163 /nfs/dbraw/zinc/01/31/63/526013163.db2.gz RDHRDJMMELBGPV-UHFFFAOYSA-N 1 0 291.351 2.403 10 0 CEAERO C[NH+]1CCN(c2cc(Cl)c(Cl)cc2N)CC1 ZINC000087417949 536419443 /nfs/dbraw/zinc/41/94/43/536419443.db2.gz CEBMANNQSYEPTB-UHFFFAOYSA-N 1 0 260.168 2.327 10 0 CEAERO C[C@@H]([C@H](O)c1ccccc1)[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061652637 526023655 /nfs/dbraw/zinc/02/36/55/526023655.db2.gz KCFVXUVSHDGFKU-IMJJTQAJSA-N 1 0 262.397 2.135 10 0 CEAERO Cc1cnc(CNC(=O)Nc2cccc([C@@H](C)[NH3+])c2)cn1 ZINC000061323720 526031142 /nfs/dbraw/zinc/03/11/42/526031142.db2.gz QMGNRQXLIPRSCQ-LLVKDONJSA-N 1 0 285.351 2.126 10 0 CEAERO Cc1cnc(C[NH2+][C@@H]2CCc3ccccc3C2)cn1 ZINC000061320608 526045525 /nfs/dbraw/zinc/04/55/25/526045525.db2.gz XGIBOGNTLNTWLA-OAHLLOKOSA-N 1 0 253.349 2.432 10 0 CEAERO Cc1cnc(Cn2c(N)[nH+]c3ccc(F)c(F)c32)cn1 ZINC000061322040 526064522 /nfs/dbraw/zinc/06/45/22/526064522.db2.gz OELMEXKXKWMECO-UHFFFAOYSA-N 1 0 275.262 2.043 10 0 CEAERO Cc1ccc(C(=O)N[C@@H]2CCCCC[C@@H]2[NH3+])c(C)n1 ZINC000063210508 526199942 /nfs/dbraw/zinc/19/99/42/526199942.db2.gz VHXBEZSCKRTHCS-UONOGXRCSA-N 1 0 261.369 2.088 10 0 CEAERO C[C@@H]1CC(=O)N(C[C@@H]([NH3+])C23CC4CC(CC(C4)C2)C3)C1 ZINC000062816573 526214676 /nfs/dbraw/zinc/21/46/76/526214676.db2.gz MWIDBLCRBBUYIZ-QDCKZUPOSA-N 1 0 276.424 2.399 10 0 CEAERO COc1cccc(OC)c1OC[C@@H](C)C[NH2+]C1CC1 ZINC000070199364 526223581 /nfs/dbraw/zinc/22/35/81/526223581.db2.gz WXOBBWUGTWQIKW-NSHDSACASA-N 1 0 265.353 2.471 10 0 CEAERO Cc1ccc(C(C)(C)C)c(OC[C@]([NH3+])(C(N)=O)C2CC2)c1 ZINC000069195200 526243344 /nfs/dbraw/zinc/24/33/44/526243344.db2.gz GFDKTRWNIFVBFG-QGZVFWFLSA-N 1 0 290.407 2.264 10 0 CEAERO C[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(NN)[nH+]c1 ZINC000051119151 526255710 /nfs/dbraw/zinc/25/57/10/526255710.db2.gz RBDCHOMSAPOXQC-JQWIXIFHSA-N 1 0 262.357 2.018 10 0 CEAERO C[C@H]1CCCC[C@@H]1N(C)CC[NH2+]C1CCOCC1 ZINC000062767841 526256180 /nfs/dbraw/zinc/25/61/80/526256180.db2.gz MKSCFAUPRQBCLE-ZFWWWQNUSA-N 1 0 254.418 2.266 10 0 CEAERO O=C([O-])[C@H](CC[N@@H+]1CC[C@@H](c2ccccc2)C1)[NH2+]C1CC1 ZINC000062530966 526301273 /nfs/dbraw/zinc/30/12/73/526301273.db2.gz LIYAFRIQNZBETK-ZBFHGGJFSA-N 1 0 288.391 2.071 10 0 CEAERO Cc1nn([C@@H]2CCCC[C@@H]2O)c(C)c1C[NH2+]C1CC1 ZINC000054599993 526302842 /nfs/dbraw/zinc/30/28/42/526302842.db2.gz SFAZYBFQDHUMTE-CABCVRRESA-N 1 0 263.385 2.228 10 0 CEAERO Oc1ccc(Cc2noc(CC[C@H]3CCCC[NH2+]3)n2)cc1 ZINC000050928004 526344396 /nfs/dbraw/zinc/34/43/96/526344396.db2.gz DXQOHBQQRDFNPW-CYBMUJFWSA-N 1 0 287.363 2.441 10 0 CEAERO Fc1ccc(Cc2ncc(C[NH2+]C3CC3)cn2)cc1 ZINC000054856175 526344556 /nfs/dbraw/zinc/34/45/56/526344556.db2.gz RLLOKIWKOBKXKN-UHFFFAOYSA-N 1 0 257.312 2.459 10 0 CEAERO Cc1nnc(N2Cc3ccccc3C2)c(C[NH3+])c1C ZINC000050909722 526362157 /nfs/dbraw/zinc/36/21/57/526362157.db2.gz RMCZEHDORRWFDC-UHFFFAOYSA-N 1 0 254.337 2.072 10 0 CEAERO c1cc2c(ncnc2N2CCC[C@H]2C[NH2+]C2CC2)s1 ZINC000053694855 526443317 /nfs/dbraw/zinc/44/33/17/526443317.db2.gz RBRVUJKQBSCLFB-NSHDSACASA-N 1 0 274.393 2.412 10 0 CEAERO c1ccc(-c2nnn(CC[NH2+]CC3CCCC3)n2)cc1 ZINC000053500314 526457164 /nfs/dbraw/zinc/45/71/64/526457164.db2.gz RFSLSQDWQMTZNR-UHFFFAOYSA-N 1 0 271.368 2.120 10 0 CEAERO O=C(CC[N@H+]1CCC[C@H]1CCCO)Nc1ccccc1F ZINC000052762202 526486633 /nfs/dbraw/zinc/48/66/33/526486633.db2.gz HEAQXCCIRHSQTF-ZDUSSCGKSA-N 1 0 294.370 2.391 10 0 CEAERO c1cn(CCCN2CC[NH2+][C@H](C3CCCCC3)C2)cn1 ZINC000068693956 526530574 /nfs/dbraw/zinc/53/05/74/526530574.db2.gz AZYPXQLAWZYLMP-INIZCTEOSA-N 1 0 276.428 2.127 10 0 CEAERO Cc1nnc(Sc2ccc(Cl)cc2C[NH3+])[nH]1 ZINC000052858800 526533978 /nfs/dbraw/zinc/53/39/78/526533978.db2.gz AMLMGFIGZHFSON-UHFFFAOYSA-N 1 0 254.746 2.376 10 0 CEAERO O=C(CC[C@@H]1CCCC[NH2+]1)N1CCc2ccccc2C1 ZINC000050939825 526547296 /nfs/dbraw/zinc/54/72/96/526547296.db2.gz CXBNXLVEQKQXKC-INIZCTEOSA-N 1 0 272.392 2.494 10 0 CEAERO c1cncc(O[C@H]2CCN(CC[NH+]3CCCCC3)C2)c1 ZINC000152216038 526547518 /nfs/dbraw/zinc/54/75/18/526547518.db2.gz QXUWBPPYDDBNFT-INIZCTEOSA-N 1 0 275.396 2.021 10 0 CEAERO O=C(CC[C@@H]1CCCC[NH2+]1)N[C@@H]1CCC[C@@H]1n1ccnc1 ZINC000050945187 526548237 /nfs/dbraw/zinc/54/82/37/526548237.db2.gz KQHYDOJMCCAATO-ZNMIVQPWSA-N 1 0 290.411 2.015 10 0 CEAERO O=C(CC[C@@H]1CCCCO1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000069399147 526549505 /nfs/dbraw/zinc/54/95/05/526549505.db2.gz NEXXFKABKMPEOH-HRCADAONSA-N 1 0 294.439 2.469 10 0 CEAERO O=C(CC[C@H]1CCCCO1)N1CCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000069388544 526566066 /nfs/dbraw/zinc/56/60/66/526566066.db2.gz MDWRLZVRPHQINU-OAGGEKHMSA-N 1 0 294.439 2.326 10 0 CEAERO O=C(CC[C@H]1CCCCO1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000069398731 526566925 /nfs/dbraw/zinc/56/69/25/526566925.db2.gz UFJXVIINVQJWIT-XHSDSOJGSA-N 1 0 294.439 2.326 10 0 CEAERO O=C(C[N@H+]1CCC[C@@H]1CCCO)Nc1cc(F)cc(F)c1 ZINC000052762959 526752646 /nfs/dbraw/zinc/75/26/46/526752646.db2.gz AMHNLIVTIKJXTM-CQSZACIVSA-N 1 0 298.333 2.140 10 0 CEAERO Cc1nc(C)n([C@H](C[NH2+]C(C)C)c2ccccc2)n1 ZINC000052574534 526765900 /nfs/dbraw/zinc/76/59/00/526765900.db2.gz TUEDFKCNGFHRCO-OAHLLOKOSA-N 1 0 258.369 2.482 10 0 CEAERO Cc1oc(C[NH2+]C(C)C)cc1CN1CCOC[C@H]1C ZINC000052476088 526774399 /nfs/dbraw/zinc/77/43/99/526774399.db2.gz OFMVHVJNLVPGCR-GFCCVEGCSA-N 1 0 266.385 2.307 10 0 CEAERO NC(=[NH2+])c1cc(OC[C@H]2CCCO2)nc2ccccc21 ZINC000068798204 526821129 /nfs/dbraw/zinc/82/11/29/526821129.db2.gz ORKIBLUOOAJKRC-SNVBAGLBSA-N 1 0 271.320 2.077 10 0 CEAERO NC(=[NH2+])c1ccc(Cl)cc1N1CCCC[C@@H]1CCO ZINC000062788767 526821531 /nfs/dbraw/zinc/82/15/31/526821531.db2.gz XFIDPJQNHJAEKF-LLVKDONJSA-N 1 0 281.787 2.365 10 0 CEAERO NC(=[NH2+])c1ccc(N2CCSCC2)cc1Cl ZINC000061856483 526822989 /nfs/dbraw/zinc/82/29/89/526822989.db2.gz RGRBKVHTDLJJET-UHFFFAOYSA-N 1 0 255.774 2.177 10 0 CEAERO NC(=[NH2+])c1ccc(Cn2ncc3ccccc32)cc1 ZINC000050526162 526823224 /nfs/dbraw/zinc/82/32/24/526823224.db2.gz BNKJDRWPQSNIHP-UHFFFAOYSA-N 1 0 250.305 2.369 10 0 CEAERO NC(=[NH2+])c1ccnc(N2CCCc3ccccc3C2)c1 ZINC000062944740 526824558 /nfs/dbraw/zinc/82/45/58/526824558.db2.gz CCMHZTHUMGAHSW-UHFFFAOYSA-N 1 0 266.348 2.318 10 0 CEAERO NC(=O)CC[NH2+]C1c2ccccc2Cc2ccccc21 ZINC000061669838 526872078 /nfs/dbraw/zinc/87/20/78/526872078.db2.gz QUGFAIWTQQASDD-UHFFFAOYSA-N 1 0 266.344 2.145 10 0 CEAERO Cc1sc2[nH]c(C[NH2+][C@H]3C[C@H]3C)nc(=O)c2c1C ZINC000052287582 526886355 /nfs/dbraw/zinc/88/63/55/526886355.db2.gz ZAHASXQUKFFBAV-MUWHJKNJSA-N 1 0 263.366 2.099 10 0 CEAERO Cc1ncc(C[NH2+][C@H](C)c2ccc3c(c2)OCCO3)[nH]1 ZINC000054821960 526893523 /nfs/dbraw/zinc/89/35/23/526893523.db2.gz QQDNQWSTHDDVAD-SNVBAGLBSA-N 1 0 273.336 2.340 10 0 CEAERO Cc1nc(CN[C@H](CC(C)C)C[NH+](C)C)oc1C ZINC000049555506 526893915 /nfs/dbraw/zinc/89/39/15/526893915.db2.gz MZIDNDLQGQPNAD-CYBMUJFWSA-N 1 0 253.390 2.357 10 0 CEAERO Cc1nc(C[C@@H]2CCCO2)nc(C)c1CCC[NH2+]C1CC1 ZINC000054837792 526920093 /nfs/dbraw/zinc/92/00/93/526920093.db2.gz SUQVLJNDPFKXRL-HNNXBMFYSA-N 1 0 289.423 2.500 10 0 CEAERO Cc1nc(C[C@H]2CCCO2)nc(C)c1CC[NH2+]C1CC1 ZINC000054853872 526922826 /nfs/dbraw/zinc/92/28/26/526922826.db2.gz DGPBEWDWTZXCPE-CQSZACIVSA-N 1 0 275.396 2.109 10 0 CEAERO Cc1nc(Cc2nc(C)c(CCC[NH3+])c(C)n2)cs1 ZINC000055296933 526928856 /nfs/dbraw/zinc/92/88/56/526928856.db2.gz KFQWNHRJWZEUOX-UHFFFAOYSA-N 1 0 276.409 2.340 10 0 CEAERO Cc1nc(Cc2cccnc2)[nH+]c(NN)c1C(C)C ZINC000061689050 526928813 /nfs/dbraw/zinc/92/88/13/526928813.db2.gz GNULWPHRRZTIDA-UHFFFAOYSA-N 1 0 257.341 2.180 10 0 CEAERO Cc1nc(N2CCC(C[NH+]3CCCC3)CC2)sc1CO ZINC000062037845 526962425 /nfs/dbraw/zinc/96/24/25/526962425.db2.gz MULLPPNYEQPQMK-UHFFFAOYSA-N 1 0 295.452 2.256 10 0 CEAERO Cc1nc(N2CCCC2)nc(C)c1CC[NH2+]CC(C)C ZINC000054853962 526964397 /nfs/dbraw/zinc/96/43/97/526964397.db2.gz QFWRFQGNJDOBNP-UHFFFAOYSA-N 1 0 276.428 2.482 10 0 CEAERO NC(=O)c1c(Cl)cccc1N1C[C@@H]2C[C@@H]([NH3+])CC[C@@H]2C1 ZINC000052905818 527018678 /nfs/dbraw/zinc/01/86/78/527018678.db2.gz ASDWEKXWBMBVCM-VWYCJHECSA-N 1 0 293.798 2.003 10 0 CEAERO NC(=S)c1c(Cl)cccc1N[C@H]1C[NH+]2CCC1CC2 ZINC000052904108 527113143 /nfs/dbraw/zinc/11/31/43/527113143.db2.gz VECCBBUOLKLPFJ-LBPRGKRZSA-N 1 0 295.839 2.480 10 0 CEAERO [NH3+]C1CCC(C(=O)OCCc2cccs2)CC1 ZINC000049585154 527139715 /nfs/dbraw/zinc/13/97/15/527139715.db2.gz ADXAZJKLSYGGBB-UHFFFAOYSA-N 1 0 253.367 2.351 10 0 CEAERO [NH3+]C1CCC(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000055143885 527142117 /nfs/dbraw/zinc/14/21/17/527142117.db2.gz NVGRRJKDIWKFAB-UHFFFAOYSA-N 1 0 273.785 2.384 10 0 CEAERO [NH3+]C1CCC([S@@](=O)c2ccc(F)c(F)c2)CC1 ZINC000055144857 527142432 /nfs/dbraw/zinc/14/24/32/527142432.db2.gz AMHNKNAOMZBQDQ-NHSNSWGKSA-N 1 0 259.321 2.342 10 0 CEAERO [NH3+]CC1(C(=O)NC[C@H]2Cc3ccccc3O2)CCCCC1 ZINC000051087044 527162504 /nfs/dbraw/zinc/16/25/04/527162504.db2.gz GPAJECPHVFHTBT-CQSZACIVSA-N 1 0 288.391 2.016 10 0 CEAERO O=S(=O)(C[C@@H]1CCC[NH2+]C1)NC1CCCCCCC1 ZINC000049640966 527182843 /nfs/dbraw/zinc/18/28/43/527182843.db2.gz DQWFPZGBUSLWER-CYBMUJFWSA-N 1 0 288.457 2.018 10 0 CEAERO [NH3+]CCc1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC000069331901 527197616 /nfs/dbraw/zinc/19/76/16/527197616.db2.gz CHERCCKQNKKJJV-UHFFFAOYSA-N 1 0 255.243 2.392 10 0 CEAERO [NH3+]C[C@H](C(=O)NC[C@H]1CC=CCC1)c1ccccc1 ZINC000061613185 527223480 /nfs/dbraw/zinc/22/34/80/527223480.db2.gz XWQNXPHLWODXLY-ZFWWWQNUSA-N 1 0 258.365 2.201 10 0 CEAERO O=C(Cc1ccc(F)cc1)CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062981607 527228740 /nfs/dbraw/zinc/22/87/40/527228740.db2.gz ZKIOKGMBHAYXKY-MRXNPFEDSA-N 1 0 290.382 2.107 10 0 CEAERO O=C(Cc1ccc(F)cc1)N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000051358971 527229508 /nfs/dbraw/zinc/22/95/08/527229508.db2.gz OKZLKKPJCJGCOF-GJZGRUSLSA-N 1 0 276.355 2.111 10 0 CEAERO Cn1cc(C[C@H](C[NH3+])Cc2ccccc2Cl)cn1 ZINC000052948544 527233034 /nfs/dbraw/zinc/23/30/34/527233034.db2.gz GPXJJPGCNNNTLW-NSHDSACASA-N 1 0 263.772 2.434 10 0 CEAERO [NH3+]C[C@H]1CC[C@@H](Cn2cc(-c3ccccc3)cn2)O1 ZINC000054962056 527239083 /nfs/dbraw/zinc/23/90/83/527239083.db2.gz DVJGLKFZFGIGLD-CABCVRRESA-N 1 0 257.337 2.056 10 0 CEAERO [NH3+]Cc1ccc(Cl)cc1N1CCC(CO)CC1 ZINC000062786766 527253859 /nfs/dbraw/zinc/25/38/59/527253859.db2.gz DEWHTXLWEZZXRL-UHFFFAOYSA-N 1 0 254.761 2.007 10 0 CEAERO [NH3+]Cc1ccc(OC[C@H](O)C(F)(F)F)c(Cl)c1 ZINC000068875270 527257196 /nfs/dbraw/zinc/25/71/96/527257196.db2.gz OWLMHZKVCUGRID-VIFPVBQESA-N 1 0 269.650 2.101 10 0 CEAERO [NH3+]Cc1ccc(Oc2nccn(C3CC3)c2=O)c(Cl)c1 ZINC000061770713 527257476 /nfs/dbraw/zinc/25/74/76/527257476.db2.gz DGMRJSDGWXQIJY-UHFFFAOYSA-N 1 0 291.738 2.483 10 0 CEAERO [NH3+]Cc1cccc(NC(=O)Cn2ncc3ccccc32)c1 ZINC000050524540 527258607 /nfs/dbraw/zinc/25/86/07/527258607.db2.gz AFZREHOVMVPVDD-UHFFFAOYSA-N 1 0 280.331 2.134 10 0 CEAERO Cc1ncc(CNCC[C@@H]2CCCC[N@H+]2C)s1 ZINC000052205829 527270554 /nfs/dbraw/zinc/27/05/54/527270554.db2.gz HKACKLXYBPKNDS-LBPRGKRZSA-N 1 0 253.415 2.416 10 0 CEAERO Cc1ncc(C[NH2+]C[C@H]2CNc3ccccc3O2)s1 ZINC000049538901 527272678 /nfs/dbraw/zinc/27/26/78/527272678.db2.gz ZUUFFKNZESQBTG-NSHDSACASA-N 1 0 275.377 2.414 10 0 CEAERO NNc1cc(CN(Cc2ccco2)C2CC2)cc[nH+]1 ZINC000052722485 527273587 /nfs/dbraw/zinc/27/35/87/527273587.db2.gz HALROQOMAWZPRM-UHFFFAOYSA-N 1 0 258.325 2.125 10 0 CEAERO NNc1cc(Cn2ccnc2-c2ccccc2)cc[nH+]1 ZINC000052727089 527275113 /nfs/dbraw/zinc/27/51/13/527275113.db2.gz MMWRKDWBSDKYLH-UHFFFAOYSA-N 1 0 265.320 2.279 10 0 CEAERO NNc1ccc(C(=O)Nc2nc3ccccc3s2)c[nH+]1 ZINC000051092491 527278639 /nfs/dbraw/zinc/27/86/39/527278639.db2.gz IXCHQUWMIZKYAX-UHFFFAOYSA-N 1 0 285.332 2.229 10 0 CEAERO NNc1[nH+]cccc1Cn1ccnc1-c1ccccc1 ZINC000052727085 527288865 /nfs/dbraw/zinc/28/88/65/527288865.db2.gz ALBJKSYHLPYWHE-UHFFFAOYSA-N 1 0 265.320 2.279 10 0 CEAERO O=S1(=O)CC[C@H]([C@@H](C[NH2+]C2CC2)CC2CCCC2)C1 ZINC000052951800 527312721 /nfs/dbraw/zinc/31/27/21/527312721.db2.gz XMMGAMOHCSAVEK-UONOGXRCSA-N 1 0 285.453 2.370 10 0 CEAERO Cc1nccc(CNCC2([NH+](C)C)CCCCC2)n1 ZINC000054790091 527338101 /nfs/dbraw/zinc/33/81/01/527338101.db2.gz BLCJWTOQMWNRRZ-UHFFFAOYSA-N 1 0 262.401 2.139 10 0 CEAERO Cc1nccc(N(CCC[NH3+])c2ccc(F)cc2)n1 ZINC000054935385 527344716 /nfs/dbraw/zinc/34/47/16/527344716.db2.gz JTVUPLOSEVGHNP-UHFFFAOYSA-N 1 0 260.316 2.411 10 0 CEAERO Cc1nccc(N2CCC[C@H](C[NH2+]C(C)(C)C)C2)n1 ZINC000054937662 527346899 /nfs/dbraw/zinc/34/68/99/527346899.db2.gz KJNVHHLXMWMLOJ-CYBMUJFWSA-N 1 0 262.401 2.390 10 0 CEAERO [NH3+][C@H](Cn1ccc(=O)cc1)c1cc2ccccc2o1 ZINC000061627942 527390629 /nfs/dbraw/zinc/39/06/29/527390629.db2.gz NYJQJXWPQRUBCN-CYBMUJFWSA-N 1 0 254.289 2.295 10 0 CEAERO [NH3+][C@H](c1ccc2c(c1)CCCC(=O)N2)C1CCOCC1 ZINC000061671534 527390886 /nfs/dbraw/zinc/39/08/86/527390886.db2.gz PFWUSJNENJMRAD-INIZCTEOSA-N 1 0 274.364 2.388 10 0 CEAERO [NH3+][C@H](Cn1ccc(=O)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000061627967 527391531 /nfs/dbraw/zinc/39/15/31/527391531.db2.gz IALGXNRMTYSZFM-QUZGTJOHSA-N 1 0 272.392 2.392 10 0 CEAERO [NH3+][C@H]1CCCN(c2ccccc2OC2CCOCC2)C1 ZINC000069310937 527402542 /nfs/dbraw/zinc/40/25/42/527402542.db2.gz IFMMFMWYXDPCOB-ZDUSSCGKSA-N 1 0 276.380 2.172 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1NC(=O)CCCc1c[nH]c2ccccc12 ZINC000063172788 527404091 /nfs/dbraw/zinc/40/40/91/527404091.db2.gz GCLRLGUMGZETQU-HOCLYGCPSA-N 1 0 285.391 2.487 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1NC(=O)CCc1c[nH]c2ccccc12 ZINC000063173607 527404425 /nfs/dbraw/zinc/40/44/25/527404425.db2.gz MDVUWXLLNXZUBN-ZFWWWQNUSA-N 1 0 271.364 2.097 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1NC(=O)c1ccc2ccccc2c1 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OCC1([NH2+]CC2(O)CCCCCC2)CCCCC1 ZINC000053097069 527523581 /nfs/dbraw/zinc/52/35/81/527523581.db2.gz LSPBWDIURPPVKU-UHFFFAOYSA-N 1 0 255.402 2.357 10 0 CEAERO Cn1cnnc1Sc1ccc(C[NH3+])cc1Cl ZINC000062793389 527530382 /nfs/dbraw/zinc/53/03/82/527530382.db2.gz TYGLEIXFUNZMDU-UHFFFAOYSA-N 1 0 254.746 2.078 10 0 CEAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc2cccnc21 ZINC000061416164 527543857 /nfs/dbraw/zinc/54/38/57/527543857.db2.gz CYIZCRBXRWSWCB-PBWFPOADSA-N 1 0 281.359 2.248 10 0 CEAERO Nc1[nH+]c2cc(Cl)ccc2n1[C@@H]1CCCS(=O)(=O)C1 ZINC000069145406 527561658 /nfs/dbraw/zinc/56/16/58/527561658.db2.gz VKZICDMHGRCPIH-SECBINFHSA-N 1 0 299.783 2.022 10 0 CEAERO OC[C@@H]([NH2+]C[C@@H]1CCCO1)c1cccc2cccnc21 ZINC000069504726 527581477 /nfs/dbraw/zinc/58/14/77/527581477.db2.gz WFQURJXNJXWUQF-DZGCQCFKSA-N 1 0 272.348 2.037 10 0 CEAERO Cc1nn(C)c(C)c1-c1c[nH]c(C[NH2+]CC(C)C)n1 ZINC000069236582 527601502 /nfs/dbraw/zinc/60/15/02/527601502.db2.gz ASVGJZHYXSDHFJ-UHFFFAOYSA-N 1 0 261.373 2.173 10 0 CEAERO OC[C@H](c1csc2ccccc12)N1CCC[NH2+]CC1 ZINC000054465844 527612765 /nfs/dbraw/zinc/61/27/65/527612765.db2.gz UPLHJVCANSSZHV-CQSZACIVSA-N 1 0 276.405 2.230 10 0 CEAERO FC(F)(F)CN(C[C@H]1CC12CC[NH2+]CC2)C1CC1 ZINC000070257461 527666876 /nfs/dbraw/zinc/66/68/76/527666876.db2.gz UGNXCTNHIYNJFK-SNVBAGLBSA-N 1 0 262.319 2.403 10 0 CEAERO CCCCN(CCCC)C(=O)C[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401490737 528399915 /nfs/dbraw/zinc/39/99/15/528399915.db2.gz GPJUBPTZPYPVHV-CABCVRRESA-N 1 0 284.444 2.118 10 0 CEAERO CCC[C@@H](C(=O)N1CCn2c3ccccc3nc21)[NH+](C)C ZINC000179386004 528841462 /nfs/dbraw/zinc/84/14/62/528841462.db2.gz DIGMOBNMZOUCJU-AWEZNQCLSA-N 1 0 286.379 2.113 10 0 CEAERO CC[C@H]1CN(Cc2sc(C)nc2C)CC[N@@H+]1C[C@@H](C)O ZINC000172791207 529299308 /nfs/dbraw/zinc/29/93/08/529299308.db2.gz HTTZCEJBZSYIHG-RISCZKNCSA-N 1 0 297.468 2.037 10 0 CEAERO CC[C@](C)(O)C[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000161959356 529373007 /nfs/dbraw/zinc/37/30/07/529373007.db2.gz ZRYBMFMEDDOCMQ-HNNXBMFYSA-N 1 0 250.386 2.345 10 0 CEAERO CCC([NH3+])(CC)CN1CCN(c2cccc(OC)c2)CC1 ZINC000094245909 535183204 /nfs/dbraw/zinc/18/32/04/535183204.db2.gz VIJBKSJVRNLBPS-UHFFFAOYSA-N 1 0 291.439 2.335 10 0 CEAERO CCC[NH2+][C@H](CO)CCN1CCCc2ccccc21 ZINC000085238967 535192235 /nfs/dbraw/zinc/19/22/35/535192235.db2.gz SATCMCPYKNVSOC-HNNXBMFYSA-N 1 0 262.397 2.190 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(c2ncnc3cc(N)ccc32)CC1 ZINC000087821125 535566945 /nfs/dbraw/zinc/56/69/45/535566945.db2.gz QGKIJCXCWVXOQL-GFCCVEGCSA-N 1 0 285.395 2.133 10 0 CEAERO CC[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)C(C)C ZINC000089733158 535808367 /nfs/dbraw/zinc/80/83/67/535808367.db2.gz GTGZIPYCKNVCLO-ZIAGYGMSSA-N 1 0 262.401 2.470 10 0 CEAERO CN1CCN(C[C@@H]2CCC[C@@H]2C[NH3+])c2ccccc21 ZINC000089483483 536414574 /nfs/dbraw/zinc/41/45/74/536414574.db2.gz YZNAMXBEAPQYRE-KGLIPLIRSA-N 1 0 259.397 2.318 10 0 CEAERO C[NH2+][C@H]1CCCN(c2c3nsnc3ccc2Cl)C1=O ZINC000088128066 536414901 /nfs/dbraw/zinc/41/49/01/536414901.db2.gz JSSUWYGUNRAEOD-VIFPVBQESA-N 1 0 296.783 2.060 10 0 CEAERO COC(=O)[C@@H](C)[C@@H](C)[NH+]1CCN(c2ccccc2F)CC1 ZINC000093036503 536442454 /nfs/dbraw/zinc/44/24/54/536442454.db2.gz LWWNYUDTCFLEHP-QWHCGFSZSA-N 1 0 294.370 2.145 10 0 CEAERO COc1ccc(Br)c(N2CC[NH2+]C[C@H]2C)c1 ZINC000083869886 536629928 /nfs/dbraw/zinc/62/99/28/536629928.db2.gz UEWNUXPVFJXDIM-SECBINFHSA-N 1 0 285.185 2.256 10 0 CEAERO COC(=O)[C@H](C)[C@@H](C)[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000093036262 536642812 /nfs/dbraw/zinc/64/28/12/536642812.db2.gz LDMKKGXILAFFBU-HUUCEWRRSA-N 1 0 290.407 2.315 10 0 CEAERO COC(=O)c1ccc(N2CCCC[C@H]2[C@@H](C)[NH3+])c(F)c1F ZINC000094272062 536733127 /nfs/dbraw/zinc/73/31/27/536733127.db2.gz HWASUTUXAGAGCQ-KOLCDFICSA-N 1 0 298.333 2.458 10 0 CEAERO COC(=O)c1ccc(N2C[C@@H](C[NH3+])CC[C@@H]2C)c(F)c1F ZINC000094272180 536737578 /nfs/dbraw/zinc/73/75/78/536737578.db2.gz YHQGKWLIAYYZGS-VHSXEESVSA-N 1 0 298.333 2.315 10 0 CEAERO COC1CCN(c2c(F)cc(C[C@@H](C)[NH3+])cc2F)CC1 ZINC000111492458 536756612 /nfs/dbraw/zinc/75/66/12/536756612.db2.gz ZQSAOUZSEBOBBH-SNVBAGLBSA-N 1 0 284.350 2.470 10 0 CEAERO COc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CCC[C@H]1O)CC2 ZINC000252705918 536992233 /nfs/dbraw/zinc/99/22/33/536992233.db2.gz RSEFPICIEXSDPU-FRFSOERESA-N 1 0 275.392 2.303 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCc2ccc(F)cc21 ZINC000227425552 538834095 /nfs/dbraw/zinc/83/40/95/538834095.db2.gz UABDMOCLWUBAQQ-WCQYABFASA-N 1 0 262.328 2.090 10 0 CEAERO CCC1(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCCC1 ZINC000227431110 538836863 /nfs/dbraw/zinc/83/68/63/538836863.db2.gz NPEHZUVNOCAXLV-CHWSQXEVSA-N 1 0 252.402 2.448 10 0 CEAERO COc1ccc(F)cc1[C@H](C)NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000251744628 574508380 /nfs/dbraw/zinc/50/83/80/574508380.db2.gz PUMXQRRUYRBAMI-GMXVVIOVSA-N 1 0 294.370 2.387 10 0 CEAERO CC(C)[C@@H]1O[C@@]2(CN3CCC2CC3)[NH2+]CC1(C)C ZINC000757143233 574510319 /nfs/dbraw/zinc/51/03/19/574510319.db2.gz MKWJVAXFVNOIMF-DZGCQCFKSA-N 1 0 252.402 2.079 10 0 CEAERO CC1(C)C[NH2+][C@@]2(CCCSC2)O[C@@]12CCCOC2 ZINC000757147227 574510482 /nfs/dbraw/zinc/51/04/82/574510482.db2.gz SBIHPUJWQGFMDH-KGLIPLIRSA-N 1 0 271.426 2.405 10 0 CEAERO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)C[C@@H]([NH3+])CC(C)(C)C)C1 ZINC000757152073 574510842 /nfs/dbraw/zinc/51/08/42/574510842.db2.gz SDAUWVPJNYEZQG-UPJWGTAASA-N 1 0 290.473 2.058 10 0 CEAERO Cc1ccc(CCNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c(C)c1 ZINC000261793299 574517346 /nfs/dbraw/zinc/51/73/46/574517346.db2.gz QHKXYFLXNDXMKL-HZPDHXFCSA-N 1 0 274.408 2.337 10 0 CEAERO [NH3+]CC1([C@H](O)c2cnn(Cc3ccccc3)c2)CCC1 ZINC000394469354 570282203 /nfs/dbraw/zinc/28/22/03/570282203.db2.gz DNHBIMDDFMJCOW-OAHLLOKOSA-N 1 0 271.364 2.094 10 0 CEAERO C(C[C@H]1CCC[NH2+]1)c1nc([C@@H]2CCCS2)no1 ZINC000310519972 625581811 /nfs/dbraw/zinc/58/18/11/625581811.db2.gz WKBQGZSWUYUDFJ-ZJUUUORDSA-N 1 0 253.371 2.322 10 0 CEAERO COC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc(C[NH3+])nc1 ZINC000757133075 622809227 /nfs/dbraw/zinc/80/92/27/622809227.db2.gz FWFRALXOLAKQDX-NSHDSACASA-N 1 0 295.383 2.317 10 0 CEAERO Cc1cccc(OCCCC(=O)N[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000193636737 625600011 /nfs/dbraw/zinc/60/00/11/625600011.db2.gz HWIFNZPXMQUCDZ-GOEBONIOSA-N 1 0 290.407 2.411 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000261571360 623381594 /nfs/dbraw/zinc/38/15/94/623381594.db2.gz KZCKFDRFLGHIBS-PRHODGIISA-N 1 0 287.190 2.484 10 0 CEAERO CCS[C@@H]1CCC[C@H]1NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000261582843 623385058 /nfs/dbraw/zinc/38/50/58/623385058.db2.gz RKNNYVPOSNGHLI-JHJVBQTASA-N 1 0 270.442 2.309 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)C[C@@H]1CCCc2cc(OC)ccc21 ZINC000261615292 623399359 /nfs/dbraw/zinc/39/93/59/623399359.db2.gz APZVGIPKGMTBKD-JSGCOSHPSA-N 1 0 290.407 2.229 10 0 CEAERO CO[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2CO)C12CCC2 ZINC000308358099 623668577 /nfs/dbraw/zinc/66/85/77/623668577.db2.gz DWPIGSAICIFIIG-XDQVBPFNSA-N 1 0 253.386 2.085 10 0 CEAERO C[NH2+]C[C@@H]1CCN(c2ncnc3sc(C)cc32)C1 ZINC000104366927 624324758 /nfs/dbraw/zinc/32/47/58/624324758.db2.gz HHTVCWWWQXDMKC-JTQLQIEISA-N 1 0 262.382 2.045 10 0 CEAERO CC1(C)C(=O)N(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)C1(C)C ZINC000247000208 624437664 /nfs/dbraw/zinc/43/76/64/624437664.db2.gz KQPULLNHCKWJAF-GUYCJALGSA-N 1 0 294.439 2.218 10 0 CEAERO Cc1cc(C)c(C(=O)N2C[C@H]([NH3+])CC[C@@H]2C(F)(F)F)o1 ZINC000888076564 624700397 /nfs/dbraw/zinc/70/03/97/624700397.db2.gz SBZBQXYMYSMIFT-NXEZZACHSA-N 1 0 290.285 2.391 10 0 CEAERO CO[C@@H]1C[C@H](c2ncc[nH]2)[N@H+](CCc2ccccc2)C1 ZINC000888079255 624707691 /nfs/dbraw/zinc/70/76/91/624707691.db2.gz PALSSWLGCCRONK-HUUCEWRRSA-N 1 0 271.364 2.414 10 0 CEAERO Cc1ccc(Br)cc1C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000235647426 624758695 /nfs/dbraw/zinc/75/86/95/624758695.db2.gz KWOSENKNKZISIR-JOYOIKCWSA-N 1 0 297.196 2.177 10 0 CEAERO c1sc(CCc2ccccc2)nc1CN[C@@H]1CC[NH2+]C1 ZINC000262271533 624881627 /nfs/dbraw/zinc/88/16/27/624881627.db2.gz YKWPXYMCFCIEIA-CQSZACIVSA-N 1 0 287.432 2.380 10 0 CEAERO C[C@H]([NH2+]C[C@@H]1CNC(=O)O1)c1ccc(Cl)s1 ZINC000309504854 624980692 /nfs/dbraw/zinc/98/06/92/624980692.db2.gz BQZFATQYDPKNTB-NKWVEPMBSA-N 1 0 260.746 2.161 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@H]1c1ccccc1 ZINC000235282882 625216604 /nfs/dbraw/zinc/21/66/04/625216604.db2.gz QGQNIIJZHUJGQQ-YUELXQCFSA-N 1 0 258.365 2.206 10 0 CEAERO CCS[C@H](C(=O)N[C@@H]1CCC[NH2+][C@H]1C)C(C)C ZINC000248872853 627279718 /nfs/dbraw/zinc/27/97/18/627279718.db2.gz PILUAYCNWBVWCD-TUAOUCFPSA-N 1 0 258.431 2.021 10 0 CEAERO COc1cc2c(c(Br)c1)O[C@H](C)[C@H]2[NH3+] ZINC000163000229 627340604 /nfs/dbraw/zinc/34/06/04/627340604.db2.gz ZGOPPMBOSDZATQ-MLUIRONXSA-N 1 0 258.115 2.238 10 0 CEAERO COC[C@H](N)c1nc(C(C2CCC2)C2CCC2)no1 ZINC000311570533 627679761 /nfs/dbraw/zinc/67/97/61/627679761.db2.gz FQIRIBOIWSYTME-NSHDSACASA-N 1 0 265.357 2.400 10 0 CEAERO Cc1cc2c(ncnc2N2CC[C@H]3[NH2+]CC[C@@H]3C2)s1 ZINC000311698465 627691373 /nfs/dbraw/zinc/69/13/73/627691373.db2.gz LRHUSSLYGIMRDB-ZYHUDNBSSA-N 1 0 274.393 2.188 10 0 CEAERO COc1ccc(OCC[N@@H+]2CCC[C@H](C(C)=O)C2)cc1 ZINC000113652231 627994196 /nfs/dbraw/zinc/99/41/96/627994196.db2.gz MEYQLJJDDCVWBO-AWEZNQCLSA-N 1 0 277.364 2.375 10 0 CEAERO COC(=O)[C@H]1C[N@H+](CCCOCc2ccccc2)C[C@@H]1C ZINC000309980641 628216997 /nfs/dbraw/zinc/21/69/97/628216997.db2.gz UTISOQMSXPPUGK-HOCLYGCPSA-N 1 0 291.391 2.334 10 0 CEAERO C[C@@H](C[NH2+][C@@H](C)[C@H]1CCOC1)N(C)C(=O)OC(C)(C)C ZINC000310008465 628241615 /nfs/dbraw/zinc/24/16/15/628241615.db2.gz XMJULFQLOMNOJS-AVGNSLFASA-N 1 0 286.416 2.256 10 0 CEAERO Cc1cc(C(=O)N2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)ccc1F ZINC000313067183 628577900 /nfs/dbraw/zinc/57/79/00/628577900.db2.gz UWXDFAUTKHKWLS-UONOGXRCSA-N 1 0 276.355 2.158 10 0 CEAERO Cc1nc2ccccc2nc1N(C)CC(C)(C)C[NH3+] ZINC000093874702 628726196 /nfs/dbraw/zinc/72/61/96/628726196.db2.gz JBRYILSLHNDDIZ-UHFFFAOYSA-N 1 0 258.369 2.359 10 0 CEAERO C[C@@H]([NH3+])[C@H]1CCCN(c2ncc(Cl)cc2F)C1 ZINC000094052569 628750307 /nfs/dbraw/zinc/75/03/07/628750307.db2.gz YKKVXYTVZCPZBA-BDAKNGLRSA-N 1 0 257.740 2.438 10 0 CEAERO Cc1ccccc1[C@@H](C)[NH2+]C1CCN(CCO)CC1 ZINC000399066669 628773333 /nfs/dbraw/zinc/77/33/33/628773333.db2.gz BUOXVDWOEXDOSI-CQSZACIVSA-N 1 0 262.397 2.102 10 0 CEAERO CC1(C)C[C@H]1c1noc(-c2csc(C[NH3+])n2)n1 ZINC000225473781 628891863 /nfs/dbraw/zinc/89/18/63/628891863.db2.gz UDGMAMJQCQXKIN-LURJTMIESA-N 1 0 250.327 2.165 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1Cc1ccc(Br)s1 ZINC000261530205 628934746 /nfs/dbraw/zinc/93/47/46/628934746.db2.gz YCOPTNAZQSFSJG-IONNQARKSA-N 1 0 275.215 2.432 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000236912922 628934812 /nfs/dbraw/zinc/93/48/12/628934812.db2.gz PFBYIVCJJAIVES-UONOGXRCSA-N 1 0 264.344 2.447 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)Nc1cccc(Cl)c1 ZINC000261543019 628936718 /nfs/dbraw/zinc/93/67/18/628936718.db2.gz CPIPYMVEHQYFMW-LDYMZIIASA-N 1 0 253.733 2.293 10 0 CEAERO C[C@@H](Nc1nnc(C(F)F)s1)[C@H]1CCC[NH2+]C1 ZINC000261546586 628937293 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CCC[C@@H]([NH3+])C(=O)NC[C@@H](O)c1cc2ccccc2s1 ZINC000236955771 629131844 /nfs/dbraw/zinc/13/18/44/629131844.db2.gz KPIOWWZTVPFTJA-VXGBXAGGSA-N 1 0 292.404 2.178 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2[NH2+]1)C1CC1 ZINC000251626480 629161422 /nfs/dbraw/zinc/16/14/22/629161422.db2.gz QUWLLHPGOGIUAS-ASEORRQLSA-N 1 0 250.386 2.212 10 0 CEAERO Cc1sc2ncnc(N3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)c2c1C ZINC000261758746 629184302 /nfs/dbraw/zinc/18/43/02/629184302.db2.gz NNDDTPKIILQTHV-SRVKXCTJSA-N 1 0 288.420 2.482 10 0 CEAERO C[C@H](C[NH3+])c1noc(Cc2ccccc2Cl)n1 ZINC000054158846 629263751 /nfs/dbraw/zinc/26/37/51/629263751.db2.gz VZTXXYPRGKVUNS-MRVPVSSYSA-N 1 0 251.717 2.376 10 0 CEAERO C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)nc1)N1CCOCC1 ZINC000179100214 631093273 /nfs/dbraw/zinc/09/32/73/631093273.db2.gz SPUOAXYHRUUWCO-NEPJUHHUSA-N 1 0 283.803 2.106 10 0 CEAERO C[NH2+]CCC(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000262554143 631124879 /nfs/dbraw/zinc/12/48/79/631124879.db2.gz PEUQUNLFSVERIW-GFCCVEGCSA-N 1 0 297.196 2.162 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@H]1CCCc2cc(N)ccc21 ZINC000263157613 631346125 /nfs/dbraw/zinc/34/61/25/631346125.db2.gz XXPDOVCOWODCNP-NZVBXONLSA-N 1 0 275.396 2.136 10 0 CEAERO CS[C@H](C(=O)N[C@H]1CCC[NH2+][C@@H]1C)c1ccccc1 ZINC000248884278 631461296 /nfs/dbraw/zinc/46/12/96/631461296.db2.gz UAHUGMJUFNSYLU-XBFCOCLRSA-N 1 0 278.421 2.347 10 0 CEAERO Cc1nn(C)c2sc(-c3[nH+]ccc(N)c3N)cc12 ZINC000757571738 631634686 /nfs/dbraw/zinc/63/46/86/631634686.db2.gz MNOMZCYWUJURFU-UHFFFAOYSA-N 1 0 259.338 2.170 10 0 CEAERO C[C@@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2C1)[NH+]1CCCCC1 ZINC000251065559 631657533 /nfs/dbraw/zinc/65/75/33/631657533.db2.gz DCDIXGAJYRKMCK-FQUUOJAGSA-N 1 0 250.386 2.023 10 0 CEAERO CCOC(=O)CCc1nc([C@]2([NH3+])CC(C)(C)C[C@@H]2C)no1 ZINC000757183687 631830090 /nfs/dbraw/zinc/83/00/90/631830090.db2.gz SAUCJQBXYWXFNF-BONVTDFDSA-N 1 0 295.383 2.175 10 0 CEAERO CCC[C@H](C(=O)Nc1cnn([C@H]2CCCCO2)c1)[NH+](C)C ZINC000912565843 638729216 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ZINC000063084758 639823484 /nfs/dbraw/zinc/82/34/84/639823484.db2.gz UBJNLHGUQMAHCW-LBPRGKRZSA-N 1 0 273.336 2.191 10 0 CEAERO COC1CC([NH2+]Cc2cncc(Br)c2)C1 ZINC000231775373 639876406 /nfs/dbraw/zinc/87/64/06/639876406.db2.gz NRVOTZPJSGLARS-UHFFFAOYSA-N 1 0 271.158 2.111 10 0 CEAERO CO[C@H](C[NH3+])CC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000232110701 639901447 /nfs/dbraw/zinc/90/14/47/639901447.db2.gz LHEKRHKLLLQYOD-BVOGVELGSA-N 1 0 294.439 2.071 10 0 CEAERO CCc1cc(NC[C@@H]([NH3+])c2ccccc2)nc(C)n1 ZINC000088760600 640009952 /nfs/dbraw/zinc/00/99/52/640009952.db2.gz PNIXIDKZUCLFMF-CQSZACIVSA-N 1 0 256.353 2.459 10 0 CEAERO C[C@@H]1CN(Cc2cccc3c2NCCC3)C[C@@H]1[NH+](C)C ZINC000312461436 640029288 /nfs/dbraw/zinc/02/92/88/640029288.db2.gz FGPQHZISHUHEDF-CJNGLKHVSA-N 1 0 273.424 2.427 10 0 CEAERO C[C@H]([NH2+]CC1(O)CCSCC1)c1cncs1 ZINC000151582382 640041951 /nfs/dbraw/zinc/04/19/51/640041951.db2.gz JHFLQPCDLRTWND-VIFPVBQESA-N 1 0 258.412 2.052 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@@H]1C(=O)N1CCc2sccc2C1 ZINC000089385552 640360692 /nfs/dbraw/zinc/36/06/92/640360692.db2.gz RFIIAUYYSXFQBB-YPMHNXCESA-N 1 0 278.421 2.398 10 0 CEAERO CCCCCCNC(=O)CN(C)C[C@H]1CCC[N@@H+]1CC ZINC000175362329 641325590 /nfs/dbraw/zinc/32/55/90/641325590.db2.gz PKLUKSVSHIOERL-OAHLLOKOSA-N 1 0 283.460 2.099 10 0 CEAERO C[C@H](OCc1ccccc1)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000237581798 641354895 /nfs/dbraw/zinc/35/48/95/641354895.db2.gz IVKRAOZASWBGLQ-JEYLPNPQSA-N 1 0 290.407 2.320 10 0 CEAERO [NH3+]CC[C@@H]1CCCCN1S(=O)(=O)/C=C/c1ccccc1 ZINC000070149386 641636401 /nfs/dbraw/zinc/63/64/01/641636401.db2.gz CSQSBSKJZJKRMF-VOMSXAGXSA-N 1 0 294.420 2.190 10 0 CEAERO C[C@H]([NH2+]CC(=O)NC1CCCCCCC1)[C@@H]1CCCO1 ZINC000183168540 641716429 /nfs/dbraw/zinc/71/64/29/641716429.db2.gz XZWRKLQMHCRBLR-ZFWWWQNUSA-N 1 0 282.428 2.373 10 0 CEAERO CCC[C@H](C(=O)NCc1ccc(C(C)(C)O)cc1)[NH+](C)C ZINC000184701052 641894613 /nfs/dbraw/zinc/89/46/13/641894613.db2.gz CJMRPUIRMHRGND-OAHLLOKOSA-N 1 0 292.423 2.261 10 0 CEAERO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCC[C@@H](O)C1 ZINC000388701611 642620605 /nfs/dbraw/zinc/62/06/05/642620605.db2.gz HGQSIZXZHPSRRX-XUWVNRHRSA-N 1 0 266.429 2.096 10 0 CEAERO Cn1ccnc1[C@@H]1OCCC[C@H]1C[NH2+]Cc1cc[nH]c1 ZINC000858008448 645047216 /nfs/dbraw/zinc/04/72/16/645047216.db2.gz RZABGYSFHCPQMJ-UONOGXRCSA-N 1 0 274.368 2.006 10 0 CEAERO CC[NH2+]CC1CCN(c2ccc(C(=O)OCC)cn2)CC1 ZINC000130020981 652203893 /nfs/dbraw/zinc/20/38/93/652203893.db2.gz VPBJXHNUKAGFHQ-UHFFFAOYSA-N 1 0 291.395 2.084 10 0 CEAERO COC(=O)Nc1ccc(NC(=O)C[C@@H]([NH3+])C(C)C)cc1 ZINC000136359149 653066667 /nfs/dbraw/zinc/06/66/67/653066667.db2.gz OJVOQRUKNLXRSS-GFCCVEGCSA-N 1 0 279.340 2.177 10 0 CEAERO Fc1cc(Cl)ccc1C[N+]12CCN(CC1)CC2 ZINC000186998057 717157877 /nfs/dbraw/zinc/15/78/77/717157877.db2.gz MCHRWRFKDWCXHI-UHFFFAOYSA-N 1 0 255.744 2.125 10 0 CEAERO CC(C)(C)Oc1cccc(CNC(=O)CCC[NH3+])c1 ZINC000082257129 177930635 /nfs/dbraw/zinc/93/06/35/177930635.db2.gz VUWUVCUBIDCPJA-UHFFFAOYSA-N 1 0 264.369 2.219 10 0 CEAERO [NH3+]CCCNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000082263821 177935714 /nfs/dbraw/zinc/93/57/14/177935714.db2.gz NKBKBLRKYBLTBH-UHFFFAOYSA-N 1 0 254.333 2.432 10 0 CEAERO C[C@@H]1CCN(C(=O)OCc2ccccc2)[C@@H]2CC[NH2+][C@@H]21 ZINC000095643155 185017439 /nfs/dbraw/zinc/01/74/39/185017439.db2.gz WYIRRUZDTGVMIX-BPLDGKMQSA-N 1 0 274.364 2.396 10 0 CEAERO [NH3+]C[C@@H](O[C@@H]1CCOC1)c1cccc(Br)c1 ZINC000082452966 178031533 /nfs/dbraw/zinc/03/15/33/178031533.db2.gz PFEGYZCNJXLPCS-VXGBXAGGSA-N 1 0 286.169 2.254 10 0 CEAERO O=C(N[C@@H]1CC[C@H]2CC[C@@H]1[NH2+]2)OCc1ccccc1 ZINC000095743462 185025763 /nfs/dbraw/zinc/02/57/63/185025763.db2.gz KNJDROIYDOZMNH-HZSPNIEDSA-N 1 0 260.337 2.196 10 0 CEAERO COCCCC[N@@H+]1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121127841 365526569 /nfs/dbraw/zinc/52/65/69/365526569.db2.gz GPJWYWCZZAFTDS-IUODEOHRSA-N 1 0 285.334 2.499 10 0 CEAERO CCOC(=O)CC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000095762263 185026628 /nfs/dbraw/zinc/02/66/28/185026628.db2.gz UIYFLRDSAPSZSD-UHFFFAOYSA-N 1 0 289.375 2.421 10 0 CEAERO [NH3+]CCc1cc(Br)nc(C(F)(F)F)c1 ZINC000095767978 185027066 /nfs/dbraw/zinc/02/70/66/185027066.db2.gz XQWBWKVKXHIBPU-UHFFFAOYSA-N 1 0 269.064 2.364 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(F)c(Cl)c2)C1 ZINC000121254434 365541965 /nfs/dbraw/zinc/54/19/65/365541965.db2.gz QBNXRGXOXDTVHZ-JTQLQIEISA-N 1 0 270.735 2.255 10 0 CEAERO C[NH2+]Cc1nnc(-c2sccc2Br)o1 ZINC000082614441 178126685 /nfs/dbraw/zinc/12/66/85/178126685.db2.gz QXLWJIDFBWHECS-UHFFFAOYSA-N 1 0 274.143 2.280 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@@H]1Nc1ncc(Br)cn1 ZINC000082662453 178150565 /nfs/dbraw/zinc/15/05/65/178150565.db2.gz PSLRFTODLMXLOR-ZJUUUORDSA-N 1 0 285.189 2.311 10 0 CEAERO [NH3+]Cc1ccccc1Nc1ncc(Br)cn1 ZINC000082663573 178152116 /nfs/dbraw/zinc/15/21/16/178152116.db2.gz FUQVYGQNNHBEDL-UHFFFAOYSA-N 1 0 279.141 2.441 10 0 CEAERO CO[C@@H]1C[N@H+](Cc2ccc(F)cc2)[C@@H]2CCCO[C@H]12 ZINC000096042327 185070639 /nfs/dbraw/zinc/07/06/39/185070639.db2.gz JPTZMXRBWLMQRE-KFWWJZLASA-N 1 0 265.328 2.204 10 0 CEAERO Cc1ccc(S(=O)(=O)NC2(C[NH3+])CCCCCC2)cc1 ZINC000034955484 361799181 /nfs/dbraw/zinc/79/91/81/361799181.db2.gz PZBVRSWTLQCGEM-UHFFFAOYSA-N 1 0 296.436 2.325 10 0 CEAERO CC(C)C[C@H]([NH3+])c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000034939147 361799188 /nfs/dbraw/zinc/79/91/88/361799188.db2.gz VUGBMIFXEOZYHK-VIFPVBQESA-N 1 0 261.325 2.380 10 0 CEAERO c1n(-c2ccccc2)nc2[n+]1[C@@H](Cc1ccccc1)COC2 ZINC000034404261 361790308 /nfs/dbraw/zinc/79/03/08/361790308.db2.gz QOMHPIQIVNNPKJ-KRWDZBQOSA-N 1 0 292.362 2.474 10 0 CEAERO C[C@H]([NH3+])CC[S@](=O)c1ccc(Br)cc1 ZINC000082747000 178269450 /nfs/dbraw/zinc/26/94/50/178269450.db2.gz LMJDEPVCMFBNCX-RMLUDKJBSA-N 1 0 276.199 2.294 10 0 CEAERO CCO[C@H]1C[C@H]([N@H+](C)CCC2OCCO2)C12CCCC2 ZINC000125014790 187165466 /nfs/dbraw/zinc/16/54/66/187165466.db2.gz BKVGMRJBRFTLHL-KBPBESRZSA-N 1 0 283.412 2.419 10 0 CEAERO C[C@H]([NH3+])[C@@H](CO)Sc1nc2ccccc2s1 ZINC000082988013 178332656 /nfs/dbraw/zinc/33/26/56/178332656.db2.gz ZSLOASBHIBJYEY-OIBJUYFYSA-N 1 0 254.380 2.097 10 0 CEAERO [NH3+][C@H]1CCCc2sc(N3CCSCC3)nc21 ZINC000083117390 178338414 /nfs/dbraw/zinc/33/84/14/178338414.db2.gz LGBUQHSFFMYKMZ-QMMMGPOBSA-N 1 0 255.412 2.032 10 0 CEAERO [NH3+][C@H](CO)CCSc1ccc(Br)cc1 ZINC000082904606 178329594 /nfs/dbraw/zinc/32/95/94/178329594.db2.gz OQQLLORYFFUSAM-VIFPVBQESA-N 1 0 276.199 2.251 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)NCc1ccc(Cl)s1 ZINC000082922077 178329886 /nfs/dbraw/zinc/32/98/86/178329886.db2.gz BOQJQPBRQHEBRA-BDAKNGLRSA-N 1 0 258.774 2.145 10 0 CEAERO COc1cc(CC[NH2+]C2CC2)cc(Br)c1O ZINC000082954889 178330200 /nfs/dbraw/zinc/33/02/00/178330200.db2.gz AVPLUPLUNGCFMN-UHFFFAOYSA-N 1 0 286.169 2.458 10 0 CEAERO O[C@H](c1ccc(Br)s1)[C@@H]1CCC[NH2+]1 ZINC000036173441 361834782 /nfs/dbraw/zinc/83/47/82/361834782.db2.gz UCRMLJGIDZLTCE-RCOVLWMOSA-N 1 0 262.172 2.296 10 0 CEAERO COc1ccc(Cl)cc1CN1CCC[C@H]1C[NH3+] ZINC000036867492 361866215 /nfs/dbraw/zinc/86/62/15/361866215.db2.gz ONNNPEQSCCHAMM-LBPRGKRZSA-N 1 0 254.761 2.272 10 0 CEAERO c1ccc(CN2CCC3(CC2)CSCC[NH2+]3)cc1 ZINC000096949210 185137955 /nfs/dbraw/zinc/13/79/55/185137955.db2.gz ULJPHJSUSHSXSO-UHFFFAOYSA-N 1 0 262.422 2.358 10 0 CEAERO c1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2COCCN2)cc1 ZINC000096949587 185138630 /nfs/dbraw/zinc/13/86/30/185138630.db2.gz MDTCHOXJZCOIBF-HOTGVXAUSA-N 1 0 260.381 2.030 10 0 CEAERO CC[C@](O)(C[NH3+])Cc1cccc(Br)c1 ZINC000096951361 185139482 /nfs/dbraw/zinc/13/94/82/185139482.db2.gz OZSNMXXFAGRTCU-LLVKDONJSA-N 1 0 258.159 2.091 10 0 CEAERO CC(C)(C)OC(=O)NC[C@H]1CCC2(CC2)[C@H]([NH3+])C1 ZINC000096958507 185142060 /nfs/dbraw/zinc/14/20/60/185142060.db2.gz FRFKAUJXCKDLFJ-WDEREUQCSA-N 1 0 254.374 2.419 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@H]2CCC[NH2+][C@@H]2CC1 ZINC000096958461 185141473 /nfs/dbraw/zinc/14/14/73/185141473.db2.gz UZGIGGQFEUWWNK-VXGBXAGGSA-N 1 0 254.374 2.386 10 0 CEAERO [NH3+]CCc1cncn1-c1ccc(C(F)(F)F)cc1 ZINC000097008658 185150903 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C[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H]1CCCO1 ZINC000042325818 362082853 /nfs/dbraw/zinc/08/28/53/362082853.db2.gz JDRLDJHIVVRGFF-AAEUAGOBSA-N 1 0 297.443 2.162 10 0 CEAERO CC1(C)[C@H]([NH2+][C@@H]2CCC[C@H](O)C2)[C@@H]2CCCO[C@@H]21 ZINC000085674192 539292948 /nfs/dbraw/zinc/29/29/48/539292948.db2.gz RQBGNKPXAWTMEI-HTOAHKCRSA-N 1 0 253.386 2.083 10 0 CEAERO COc1nc2ccccc2nc1NCC1CC[NH2+]CC1 ZINC000043220277 362140067 /nfs/dbraw/zinc/14/00/67/362140067.db2.gz XKFJYMUEYWNLMG-UHFFFAOYSA-N 1 0 272.352 2.050 10 0 CEAERO [NH3+]CC1CCN(c2ncccc2Br)CC1 ZINC000044514900 362153537 /nfs/dbraw/zinc/15/35/37/362153537.db2.gz DKMPWHULPJOEIK-UHFFFAOYSA-N 1 0 270.174 2.019 10 0 CEAERO Cc1cc(C)c(O)c(NC(=O)C[C@@H]2CCC[NH2+]C2)c1 ZINC000094574444 539301538 /nfs/dbraw/zinc/30/15/38/539301538.db2.gz UIDNMFIVWSKGMM-LBPRGKRZSA-N 1 0 262.353 2.337 10 0 CEAERO C[C@@H](NCC[NH2+][C@H](C)c1ccccn1)c1ccccn1 ZINC000022035243 343378787 /nfs/dbraw/zinc/37/87/87/343378787.db2.gz JPAOPUWOGMRBHW-ZIAGYGMSSA-N 1 0 270.380 2.478 10 0 CEAERO CN(Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccccc1 ZINC000028711011 343397873 /nfs/dbraw/zinc/39/78/73/343397873.db2.gz SOYFXGWMZNSNJQ-SFHVURJKSA-N 1 0 284.403 2.269 10 0 CEAERO O[C@](c1ccc(F)cc1)(c1ccccn1)C1CC[NH2+]CC1 ZINC000034347962 343419287 /nfs/dbraw/zinc/41/92/87/343419287.db2.gz WKUNEGGDEONMQW-KRWDZBQOSA-N 1 0 286.350 2.456 10 0 CEAERO CCN1CCC[C@@H]([NH2+]Cc2cccc(OC)c2F)C1 ZINC000192672417 539328697 /nfs/dbraw/zinc/32/86/97/539328697.db2.gz SUTVGHGRVUAOJW-CYBMUJFWSA-N 1 0 266.360 2.408 10 0 CEAERO CC(C)[C@H](C)NC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000058543750 343644842 /nfs/dbraw/zinc/64/48/42/343644842.db2.gz BQKHCPRXPMCLFL-AWEZNQCLSA-N 1 0 269.433 2.452 10 0 CEAERO CCn1cc(C[N@@H+]2CCc3ccccc3C2)ccc1=O ZINC000065285973 343697317 /nfs/dbraw/zinc/69/73/17/343697317.db2.gz ZHOUATPOICDUBV-UHFFFAOYSA-N 1 0 268.360 2.427 10 0 CEAERO C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H](C)c1cc(F)ccc1F ZINC000228598750 539350103 /nfs/dbraw/zinc/35/01/03/539350103.db2.gz FNMMJDSMMCHNTC-CIUDSAMLSA-N 1 0 256.296 2.125 10 0 CEAERO CC(C)[C@@H](C[NH3+])NC(=O)c1ccccc1Br ZINC000083568255 178582167 /nfs/dbraw/zinc/58/21/67/178582167.db2.gz MBOWDYIUHABVBT-LLVKDONJSA-N 1 0 285.185 2.162 10 0 CEAERO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000295077465 199333677 /nfs/dbraw/zinc/33/36/77/199333677.db2.gz RQHREOKMIUXUNX-XJKSGUPXSA-N 1 0 271.364 2.218 10 0 CEAERO C[C@H]1CCCN(c2nc(C(F)(F)F)ns2)[C@@H]1C[NH3+] ZINC000228790316 539358612 /nfs/dbraw/zinc/35/86/12/539358612.db2.gz QPTJSFCHGCXTBS-NKWVEPMBSA-N 1 0 280.319 2.121 10 0 CEAERO CC(C)[N@H+](C[C@H](O)CN(C)Cc1ccccc1)C1CC1 ZINC000069608263 343789337 /nfs/dbraw/zinc/78/93/37/343789337.db2.gz QFEQEKSMJZFACY-QGZVFWFLSA-N 1 0 276.424 2.352 10 0 CEAERO CCC1(O)CC[NH+](C[C@@](C)(O)c2ccccc2)CC1 ZINC000075859573 343869945 /nfs/dbraw/zinc/86/99/45/343869945.db2.gz PEFGSGFIGVSSAG-OAHLLOKOSA-N 1 0 263.381 2.131 10 0 CEAERO CSC[C@H]1CCC[N@@H+]1C[C@H](O)COCc1ccccc1 ZINC000128169141 187355835 /nfs/dbraw/zinc/35/58/35/187355835.db2.gz FNYFMQDIYSPDOL-CVEARBPZSA-N 1 0 295.448 2.392 10 0 CEAERO CCCn1cc(C[NH+]2CCC(c3ccnn3C)CC2)cn1 ZINC000128171089 187355908 /nfs/dbraw/zinc/35/59/08/187355908.db2.gz FBNNEDWXHMAJDP-UHFFFAOYSA-N 1 0 287.411 2.406 10 0 CEAERO CN1CCO[C@H](C[NH2+][C@H]2CCCC(C)(C)CC2)C1 ZINC000091667122 344169381 /nfs/dbraw/zinc/16/93/81/344169381.db2.gz ZHTJYRGJHRMLEH-UONOGXRCSA-N 1 0 254.418 2.266 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)NC[C@H]2CCC[N@H+](C)C2)o1 ZINC000108542610 344265866 /nfs/dbraw/zinc/26/58/66/344265866.db2.gz YZJWVBHWHQFCMJ-QWHCGFSZSA-N 1 0 279.384 2.290 10 0 CEAERO CCC(CC)C[NH2+]C[C@@H](O)COCc1ccco1 ZINC000125040995 344318300 /nfs/dbraw/zinc/31/83/00/344318300.db2.gz IQUDPVLPYNGWAQ-CYBMUJFWSA-N 1 0 255.358 2.183 10 0 CEAERO CC(C)[C@H](C)NC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000127459357 344329866 /nfs/dbraw/zinc/32/98/66/344329866.db2.gz PTXLCRUCTFVOHP-KBPBESRZSA-N 1 0 269.433 2.452 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cc(C(=O)OC)cs1 ZINC000602471636 347046824 /nfs/dbraw/zinc/04/68/24/347046824.db2.gz BZFPMAWAZWBCFC-CYBMUJFWSA-N 1 0 296.436 2.451 10 0 CEAERO CC(C)([NH3+])[C@@H](O)c1cc(Br)cs1 ZINC000129098900 344340599 /nfs/dbraw/zinc/34/05/99/344340599.db2.gz UQMLPKKOONKLIS-ZETCQYMHSA-N 1 0 250.161 2.281 10 0 CEAERO CC(C)COc1ccccc1NC(=O)C1([NH3+])CCOCC1 ZINC000132152207 344362058 /nfs/dbraw/zinc/36/20/58/344362058.db2.gz SKPFNEMPDPTHOD-UHFFFAOYSA-N 1 0 292.379 2.168 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000134567628 344375374 /nfs/dbraw/zinc/37/53/74/344375374.db2.gz DYFXEHBOCRNWGV-WCQYABFASA-N 1 0 284.350 2.336 10 0 CEAERO CCn1c(C[NH2+][C@@H]2CCO[C@@H]2C)nc2ccccc21 ZINC000149475484 344415044 /nfs/dbraw/zinc/41/50/44/344415044.db2.gz GJXRFUHGKYGIIM-VXGBXAGGSA-N 1 0 259.353 2.323 10 0 CEAERO C[C@H]1CS[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)[NH2+]1 ZINC000159144086 344453945 /nfs/dbraw/zinc/45/39/45/344453945.db2.gz XIQIMXQZEIXMSI-GXFFZTMASA-N 1 0 272.414 2.439 10 0 CEAERO Cc1cc(C)c(NC2C[NH2+]C2)c(Br)c1 ZINC000159587333 344455549 /nfs/dbraw/zinc/45/55/49/344455549.db2.gz SZTVSZITAMXRFH-UHFFFAOYSA-N 1 0 255.159 2.450 10 0 CEAERO C[C@H]([NH3+])Cc1cc(Br)cc2c1OCC2 ZINC000160475254 344458824 /nfs/dbraw/zinc/45/88/24/344458824.db2.gz DRRRHMXLLSICNM-ZETCQYMHSA-N 1 0 256.143 2.274 10 0 CEAERO C[NH2+]CCc1cc(Br)cc2c1OCC2 ZINC000163591093 344470844 /nfs/dbraw/zinc/47/08/44/344470844.db2.gz BNBVBOFJPRZYJM-UHFFFAOYSA-N 1 0 256.143 2.146 10 0 CEAERO Cc1cc(Br)cnc1NC/C=C/C[NH3+] ZINC000164540583 344472799 /nfs/dbraw/zinc/47/27/99/344472799.db2.gz LEOYXWHTARBTGO-NSCUHMNNSA-N 1 0 256.147 2.079 10 0 CEAERO C[NH2+]C[C@H](C)c1ncc(I)s1 ZINC000167375244 344478455 /nfs/dbraw/zinc/47/84/55/344478455.db2.gz LBUFHTZSSCZARK-YFKPBYRVSA-N 1 0 282.150 2.071 10 0 CEAERO C[C@@H]([NH3+])C(=O)Cc1cc(F)ccc1Br ZINC000167962596 344479778 /nfs/dbraw/zinc/47/97/78/344479778.db2.gz GQMKWAUZTVEGQR-ZCFIWIBFSA-N 1 0 260.106 2.047 10 0 CEAERO CN(C(=O)c1ccc2cc[nH]c2c1)[C@H]1CCC[NH2+]CC1 ZINC000226457017 344550113 /nfs/dbraw/zinc/55/01/13/344550113.db2.gz JOBWTZPCRQOHKD-AWEZNQCLSA-N 1 0 271.364 2.382 10 0 CEAERO Cc1nc([C@H]2CNC(=[NH2+])N2Cc2ccccc2)cs1 ZINC000229332403 344565681 /nfs/dbraw/zinc/56/56/81/344565681.db2.gz JBMCRCGHNZCODJ-CYBMUJFWSA-N 1 0 272.377 2.323 10 0 CEAERO C[C@H]([NH3+])[C@@H](O)c1ccc(Br)c(Cl)c1 ZINC000235497157 344591608 /nfs/dbraw/zinc/59/16/08/344591608.db2.gz HLSQLOYOEWKSQF-SSDLBLMSSA-N 1 0 264.550 2.483 10 0 CEAERO Cc1cc(Br)cc2c1OC[C@H](C[NH3+])C2 ZINC000235762700 344592985 /nfs/dbraw/zinc/59/29/85/344592985.db2.gz YNSVDMATWQBESZ-QMMMGPOBSA-N 1 0 256.143 2.267 10 0 CEAERO O[C@@H](C[NH2+]C[C@@H]1CCC2(CCCCC2)O1)C(F)(F)F ZINC000236536582 344596017 /nfs/dbraw/zinc/59/60/17/344596017.db2.gz ZWCJUVDJKXKNSA-QWRGUYRKSA-N 1 0 281.318 2.381 10 0 CEAERO Cc1c(Br)cccc1N1CC[C@@H]([NH3+])C1 ZINC000232248167 344577239 /nfs/dbraw/zinc/57/72/39/344577239.db2.gz QJEBOBHUNWQXQE-SECBINFHSA-N 1 0 255.159 2.295 10 0 CEAERO CCCCOC[C@@H](O)C[NH2+]CC1(SC)CCC1 ZINC000232987825 344580736 /nfs/dbraw/zinc/58/07/36/344580736.db2.gz BHURQRRNYTZBPZ-LBPRGKRZSA-N 1 0 261.431 2.039 10 0 CEAERO COc1ccc(Br)cc1N[C@@H](C)C[NH3+] ZINC000234826423 344587600 /nfs/dbraw/zinc/58/76/00/344587600.db2.gz SUJKTWRJENBBSQ-ZETCQYMHSA-N 1 0 259.147 2.217 10 0 CEAERO C[C@@H](C[NH3+])C(=O)c1cccc(Br)c1F ZINC000235124708 344588956 /nfs/dbraw/zinc/58/89/56/344588956.db2.gz ITQMBKKIBSZUOG-LURJTMIESA-N 1 0 260.106 2.366 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCc2ccccn2)C1 ZINC000246762743 539396596 /nfs/dbraw/zinc/39/65/96/539396596.db2.gz BWNKLGXXAYNVHA-GDBMZVCRSA-N 1 0 289.423 2.249 10 0 CEAERO OCCC[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccccc2)no1 ZINC000052762812 362473602 /nfs/dbraw/zinc/47/36/02/362473602.db2.gz BQULNRODNAOGTE-AWEZNQCLSA-N 1 0 287.363 2.474 10 0 CEAERO C[NH2+]CCOCCc1ccc(OC)cc1Br ZINC000083688248 178686682 /nfs/dbraw/zinc/68/66/82/178686682.db2.gz ANPNRTJQUOPEFX-UHFFFAOYSA-N 1 0 288.185 2.236 10 0 CEAERO [NH3+]Cc1nc(Br)ccc1OC(F)(F)F ZINC000238575348 344607055 /nfs/dbraw/zinc/60/70/55/344607055.db2.gz AVTABZBLRIMNLD-UHFFFAOYSA-N 1 0 271.036 2.201 10 0 CEAERO C[C@@H]1CCC[C@@H](CNC(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000261572495 344653103 /nfs/dbraw/zinc/65/31/03/344653103.db2.gz LQJPWZZJVWPVOS-NFAWXSAZSA-N 1 0 252.402 2.461 10 0 CEAERO Cc1c(N)ncnc1N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000307024359 344719591 /nfs/dbraw/zinc/71/95/91/344719591.db2.gz IMOJNQLFCJVQFJ-AWEZNQCLSA-N 1 0 283.379 2.054 10 0 CEAERO [NH3+][C@@H]1CC[C@H]2CN(Cc3cc4c(c(Cl)c3)OCO4)C[C@@H]12 ZINC000312737336 344739893 /nfs/dbraw/zinc/73/98/93/344739893.db2.gz UOVFXAOYHPSRCN-DMDPSCGWSA-N 1 0 294.782 2.238 10 0 CEAERO CCCCOC[C@H](O)C[NH2+][C@H]1CCC[C@H](SC)C1 ZINC000300661468 344701219 /nfs/dbraw/zinc/70/12/19/344701219.db2.gz KGUMRWQOQDDHGV-MJBXVCDLSA-N 1 0 275.458 2.428 10 0 CEAERO C[C@@H]1C[NH2+]C2(CCN(C(=O)OC(C)(C)C)CC2)S1 ZINC000300857384 344702051 /nfs/dbraw/zinc/70/20/51/344702051.db2.gz OQFFTQIBDBSGHZ-SNVBAGLBSA-N 1 0 272.414 2.439 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)Cc1coc(Br)c1 ZINC000306508266 344713881 /nfs/dbraw/zinc/71/38/81/344713881.db2.gz AIDFAFWXUOADMI-BDAKNGLRSA-N 1 0 272.142 2.281 10 0 CEAERO C[C@H]1[C@H](Nc2cnc(N)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000306605911 344715569 /nfs/dbraw/zinc/71/55/69/344715569.db2.gz QMJJPIHEZCIAHI-GXTWGEPZSA-N 1 0 283.379 2.134 10 0 CEAERO c1[nH]nc2cc(CN(C[C@@H]3CCC[NH2+]3)C3CC3)ccc12 ZINC000328645168 344758261 /nfs/dbraw/zinc/75/82/61/344758261.db2.gz SBBVNPVBOVOPID-AWEZNQCLSA-N 1 0 270.380 2.279 10 0 CEAERO CC(C)(C)[C@H](O)C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000324601010 344754239 /nfs/dbraw/zinc/75/42/39/344754239.db2.gz IYRZAGKVZZEHBZ-CHWSQXEVSA-N 1 0 255.402 2.475 10 0 CEAERO C[C@@H]1Nc2ccccc2C[C@H]1C(=O)NCC(C)(C)[NH+](C)C ZINC000083768011 178744877 /nfs/dbraw/zinc/74/48/77/178744877.db2.gz VHKPPIJRDQKLCL-GXTWGEPZSA-N 1 0 289.423 2.116 10 0 CEAERO [NH3+]C[C@]12CCC[C@H]1CN(c1ccc(F)cc1[N+](=O)[O-])C2 ZINC000380479185 344822847 /nfs/dbraw/zinc/82/28/47/344822847.db2.gz TZNRMIMLGVGAGG-HZMBPMFUSA-N 1 0 279.315 2.299 10 0 CEAERO COC[C@H](C)[NH2+]Cc1ccc(Br)cc1C#N ZINC000380526259 344823051 /nfs/dbraw/zinc/82/30/51/344823051.db2.gz BQHIEAMGQJPPCZ-VIFPVBQESA-N 1 0 283.169 2.445 10 0 CEAERO C[C@H](O)[C@@](C)(C[NH3+])Cc1ccc(Br)cc1F ZINC000083777590 178745845 /nfs/dbraw/zinc/74/58/45/178745845.db2.gz QOEMVIIFIBWQOA-QPUJVOFHSA-N 1 0 290.176 2.477 10 0 CEAERO CC(C)c1ccc(C[NH2+][C@@H]2CCCN(CCO)C2)cc1 ZINC000384395002 344828429 /nfs/dbraw/zinc/82/84/29/344828429.db2.gz ODULNHBCUIVQCU-QGZVFWFLSA-N 1 0 276.424 2.356 10 0 CEAERO CC[C@@H]([NH3+])CNc1cc(OC)c(C)cc1[N+](=O)[O-] ZINC000384988289 344829910 /nfs/dbraw/zinc/82/99/10/344829910.db2.gz PGGYOCBWLHNXOF-SECBINFHSA-N 1 0 253.302 2.061 10 0 CEAERO CCOC(=O)CC[C@@H](O)C[NH2+][C@@H](C)c1cccc(C)c1 ZINC000385458745 344830483 /nfs/dbraw/zinc/83/04/83/344830483.db2.gz VHDRTVKNMSWALC-DZGCQCFKSA-N 1 0 279.380 2.350 10 0 CEAERO C[C@]1(C(=O)NC[C@@H]2CC3CCC2CC3)CCC[NH2+]1 ZINC000400099181 344860340 /nfs/dbraw/zinc/86/03/40/344860340.db2.gz CSXMJZMIPXLICI-NSOJWWLLSA-N 1 0 250.386 2.071 10 0 CEAERO COC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403071879 344874276 /nfs/dbraw/zinc/87/42/76/344874276.db2.gz GNDDCULLRNKDEF-RQJABVFESA-N 1 0 251.370 2.450 10 0 CEAERO Fc1ccc(Cl)cc1CN1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404246154 344878757 /nfs/dbraw/zinc/87/87/57/344878757.db2.gz GAZTZDVUHCDBQV-KGLIPLIRSA-N 1 0 284.762 2.042 10 0 CEAERO Fc1cc(CN2CC[C@@H]3OCC[NH2+][C@H]3C2)ccc1Cl ZINC000404288395 344879188 /nfs/dbraw/zinc/87/91/88/344879188.db2.gz YVDPYVQXRKBVQL-KBPBESRZSA-N 1 0 284.762 2.042 10 0 CEAERO [NH3+][C@@H](C[S@](=O)c1cccs1)c1ccc2c(c1)OCO2 ZINC000084030210 178773113 /nfs/dbraw/zinc/77/31/13/178773113.db2.gz FLEHHFPAJMBBBR-APBUJDDRSA-N 1 0 295.385 2.284 10 0 CEAERO CCCC[S@@](=O)C[C@H]([NH2+]C)c1ccc2c(c1)OCCO2 ZINC000084039173 178776230 /nfs/dbraw/zinc/77/62/30/178776230.db2.gz MRCMPPNTAGJFHQ-RBZFPXEDSA-N 1 0 297.420 2.267 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CCCS1 ZINC000127310715 187295315 /nfs/dbraw/zinc/29/53/15/187295315.db2.gz CTBIVCJBZVURGY-MCIONIFRSA-N 1 0 297.468 2.150 10 0 CEAERO CC[NH2+][C@H](C)CC[S@](=O)c1cc(F)ccc1F ZINC000084037754 178776764 /nfs/dbraw/zinc/77/67/64/178776764.db2.gz YKRLGFFHMBXOJD-VVVCHXIZSA-N 1 0 261.337 2.461 10 0 CEAERO CC(=O)NCC1(c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000584590974 344960754 /nfs/dbraw/zinc/96/07/54/344960754.db2.gz DOAZPFUPNWYBQR-UHFFFAOYSA-N 1 0 266.772 2.097 10 0 CEAERO CCn1c2cc(Cl)ccc2n(C2CC[NH2+]CC2)c1=O ZINC000584626209 344968144 /nfs/dbraw/zinc/96/81/44/344968144.db2.gz IXCWEUTZZJQWPS-UHFFFAOYSA-N 1 0 279.771 2.401 10 0 CEAERO O=C(N[n+]1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000584651353 344973585 /nfs/dbraw/zinc/97/35/85/344973585.db2.gz BVXUHHRAHWNTLU-UHFFFAOYSA-O 1 0 267.230 2.377 10 0 CEAERO C[NH2+][C@H](COC)c1cc(Br)ccc1F ZINC000084141492 178800100 /nfs/dbraw/zinc/80/01/00/178800100.db2.gz UGPAKFJZABQDTB-SNVBAGLBSA-N 1 0 262.122 2.495 10 0 CEAERO CC(C)(C)OC(=O)N1CC2(CCOCC2)CC[C@@H]1C[NH3+] ZINC000584879933 344995621 /nfs/dbraw/zinc/99/56/21/344995621.db2.gz HZZIDHCAXCBQMD-GFCCVEGCSA-N 1 0 284.400 2.141 10 0 CEAERO C[NH2+][C@H](C)C(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000054074986 362510418 /nfs/dbraw/zinc/51/04/18/362510418.db2.gz YHFTVVHEYHPWNQ-NXEZZACHSA-N 1 0 254.761 2.467 10 0 CEAERO C[NH2+][C@H](C)C(=O)N(C)[C@H](C)c1cccc(Cl)c1 ZINC000054075720 362510552 /nfs/dbraw/zinc/51/05/52/362510552.db2.gz OCLMAMNSFPFYHD-NXEZZACHSA-N 1 0 254.761 2.467 10 0 CEAERO C[NH2+][C@H](C)C(=O)Nc1ccc(NC(=O)CC(C)C)cc1 ZINC000054076353 362510767 /nfs/dbraw/zinc/51/07/67/362510767.db2.gz BUOJEEGUIXRWIX-LLVKDONJSA-N 1 0 277.368 2.218 10 0 CEAERO CN(C)c1ccccc1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054307290 362525424 /nfs/dbraw/zinc/52/54/24/362525424.db2.gz XFLVIDYSSZVHFN-GFCCVEGCSA-N 1 0 261.369 2.081 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1nc(C2CC2)cs1 ZINC000054308938 362526418 /nfs/dbraw/zinc/52/64/18/362526418.db2.gz BEDJTQRBQGHJSD-VIFPVBQESA-N 1 0 265.382 2.349 10 0 CEAERO [NH3+]C1(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)CCCCC1 ZINC000084187717 178821037 /nfs/dbraw/zinc/82/10/37/178821037.db2.gz LPNOMJMTDSTARA-XQQFMLRXSA-N 1 0 250.386 2.343 10 0 CEAERO CC(C)([NH3+])CC(=O)N(Cc1ccco1)CC(F)(F)F ZINC000084170032 178813769 /nfs/dbraw/zinc/81/37/69/178813769.db2.gz LAATVJSKMRFMJL-UHFFFAOYSA-N 1 0 278.274 2.298 10 0 CEAERO C[C@H]1CCC[C@@H](S(=O)(=O)[C@@H](CC[NH3+])C(F)(F)F)C1 ZINC000084272198 178838957 /nfs/dbraw/zinc/83/89/57/178838957.db2.gz URAZINYMMOQGLM-AEJSXWLSSA-N 1 0 287.347 2.260 10 0 CEAERO CC[NH2+][C@H](C)Cc1c(Br)c(C)nn1C ZINC000084273728 178839334 /nfs/dbraw/zinc/83/93/34/178839334.db2.gz QTGQGOZPMZYDSZ-SSDOTTSWSA-N 1 0 260.179 2.032 10 0 CEAERO CCC[C@@H](C[NH3+])Cc1c(Br)c(C)nn1C ZINC000084275553 178839868 /nfs/dbraw/zinc/83/98/68/178839868.db2.gz GPOAEWLTFCKHCR-SECBINFHSA-N 1 0 274.206 2.409 10 0 CEAERO CC[C@](C)(C[NH3+])Cc1c(Br)c(C)nn1C ZINC000084275844 178839958 /nfs/dbraw/zinc/83/99/58/178839958.db2.gz ASXNDCZFICFVOF-NSHDSACASA-N 1 0 274.206 2.409 10 0 CEAERO CC(C)CS(=O)(=O)[C@H](CC[NH3+])c1ccccc1 ZINC000084269455 178835900 /nfs/dbraw/zinc/83/59/00/178835900.db2.gz GVLIOJYTYASJDM-CYBMUJFWSA-N 1 0 255.383 2.147 10 0 CEAERO CC[NH2+][C@H](C)C[C@H](C)S(=O)(=O)c1cccc(OC)c1 ZINC000084356676 178867569 /nfs/dbraw/zinc/86/75/69/178867569.db2.gz NQQVCOSCVSPYHA-NEPJUHHUSA-N 1 0 285.409 2.246 10 0 CEAERO CCOC(=O)[C@](C)([NH3+])C[C@@H](C)OCCCC(C)C ZINC000084366739 178875197 /nfs/dbraw/zinc/87/51/97/178875197.db2.gz DIPZFTYCVWLVJQ-TZMCWYRMSA-N 1 0 259.390 2.498 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH2+]C)[C@]1(C)CCCS1 ZINC000097217907 185566350 /nfs/dbraw/zinc/56/63/50/185566350.db2.gz VUEDDNJXBZOQMJ-NEPJUHHUSA-N 1 0 279.471 2.075 10 0 CEAERO COCC[NH2+]Cc1c(C)nn(C)c1Oc1ccccc1 ZINC000060394374 362661542 /nfs/dbraw/zinc/66/15/42/362661542.db2.gz SWIBDSRKFGRVNW-UHFFFAOYSA-N 1 0 275.352 2.257 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H](C)c2ccccc2OC)C1 ZINC000149237164 539486273 /nfs/dbraw/zinc/48/62/73/539486273.db2.gz BDJJHWHYZUXXEF-UONOGXRCSA-N 1 0 278.396 2.067 10 0 CEAERO CCC[NH2+][C@@H](COCC)c1cc(C)nnc1CC ZINC000097303724 185580707 /nfs/dbraw/zinc/58/07/07/185580707.db2.gz LESCIBKYAVLKDJ-AWEZNQCLSA-N 1 0 251.374 2.425 10 0 CEAERO CCn1nc(C[C@H]([NH3+])c2cnn(C)c2C)c2ccccc21 ZINC000097277260 185576767 /nfs/dbraw/zinc/57/67/67/185576767.db2.gz FIVIYEDBQUXRGD-AWEZNQCLSA-N 1 0 283.379 2.341 10 0 CEAERO Cn1nc(C[C@@H]([NH3+])CCc2ccncc2)c2ccccc21 ZINC000097279433 185578259 /nfs/dbraw/zinc/57/82/59/185578259.db2.gz YRDIUMALRHZNQU-AWEZNQCLSA-N 1 0 280.375 2.471 10 0 CEAERO C[NH2+][C@@H](C[C@@H]1Cc2ccccc21)C[C@@H]1CCS(=O)(=O)C1 ZINC000097282875 185578653 /nfs/dbraw/zinc/57/86/53/185578653.db2.gz BMXJBZNLNFLMNG-AEGPPILISA-N 1 0 293.432 2.129 10 0 CEAERO CCC[NH2+][C@H](Cc1ncnn1CCC)[C@H]1CCSC1 ZINC000097281985 185578870 /nfs/dbraw/zinc/57/88/70/185578870.db2.gz SUMKWPMXYKHDLX-QWHCGFSZSA-N 1 0 282.457 2.352 10 0 CEAERO CCCn1ccnc1C[C@H]([NH3+])[C@H]1OCCc2ccccc21 ZINC000097311081 185584181 /nfs/dbraw/zinc/58/41/81/185584181.db2.gz ILEKGLRDRKNGGM-RDJZCZTQSA-N 1 0 285.391 2.477 10 0 CEAERO CC[NH2+][C@@H](c1cnsn1)[C@H]1CCOC2(CCOCC2)C1 ZINC000097310951 185584290 /nfs/dbraw/zinc/58/42/90/185584290.db2.gz HEIZVEFBEOVIAQ-WCQYABFASA-N 1 0 297.424 2.165 10 0 CEAERO Cn1nccc1[C@@H]([NH3+])Cc1nc(C(C)(C)C)cs1 ZINC000097315098 185584457 /nfs/dbraw/zinc/58/44/57/185584457.db2.gz TWXHDYDATBYVRK-VIFPVBQESA-N 1 0 264.398 2.417 10 0 CEAERO CC[NH2+][C@H](Cc1nc(C)cs1)c1cc(C)nn1C ZINC000097342076 185587357 /nfs/dbraw/zinc/58/73/57/185587357.db2.gz IZYVMPWLUMDVAM-LLVKDONJSA-N 1 0 264.398 2.387 10 0 CEAERO C[C@@H]1CC[C@@H](NC(=O)COc2ccc(C[NH3+])cc2)C[C@@H]1C ZINC000085038892 178943906 /nfs/dbraw/zinc/94/39/06/178943906.db2.gz NXDQYIZVHCIOCY-VNHYZAJKSA-N 1 0 290.407 2.465 10 0 CEAERO CCOc1ccccc1[C@@](C)(CCO)[C@@H]([NH3+])CC ZINC000097435366 185603274 /nfs/dbraw/zinc/60/32/74/185603274.db2.gz WOOSWVSHWWQXPZ-LSDHHAIUSA-N 1 0 251.370 2.463 10 0 CEAERO COCC[C@@H](C)[C@H]([NH3+])c1cccc2c1OCCO2 ZINC000097424972 185601518 /nfs/dbraw/zinc/60/15/18/185601518.db2.gz SLLUSNZKYGNMIL-MFKMUULPSA-N 1 0 251.326 2.130 10 0 CEAERO C[NH2+]C[C@@](C)(O)Cc1ccc(Br)s1 ZINC000085075293 178947906 /nfs/dbraw/zinc/94/79/06/178947906.db2.gz NGKYRNHUOAVMOV-VIFPVBQESA-N 1 0 264.188 2.024 10 0 CEAERO C[C@H]1[C@H]([NH2+]CCC(=O)N2CCCC2)CCC[C@@H]1C ZINC000085085987 178947988 /nfs/dbraw/zinc/94/79/88/178947988.db2.gz WVTIVPKVCQJQHU-BFHYXJOUSA-N 1 0 252.402 2.413 10 0 CEAERO C[C@@H](CO)CSc1ccc(Cl)cc1C(N)=[NH2+] ZINC000085139194 178955835 /nfs/dbraw/zinc/95/58/35/178955835.db2.gz CTJIOKRTMQITLU-ZETCQYMHSA-N 1 0 258.774 2.345 10 0 CEAERO CC[NH2+][C@@H](CCc1nccn1C)[C@H]1CCSC1 ZINC000097451940 185608350 /nfs/dbraw/zinc/60/83/50/185608350.db2.gz WPVAPRJUGCVZSF-RYUDHWBXSA-N 1 0 253.415 2.084 10 0 CEAERO CC[NH+](CC)C[C@@H](C)NCc1ccn(C(C)C)n1 ZINC000085161426 178959912 /nfs/dbraw/zinc/95/99/12/178959912.db2.gz HFGINBROPNWHDK-CYBMUJFWSA-N 1 0 252.406 2.284 10 0 CEAERO CCC(CC)n1ccc(CN(CC[NH3+])C2CC2)n1 ZINC000085172169 178961925 /nfs/dbraw/zinc/96/19/25/178961925.db2.gz POBQFHQINRIRDE-UHFFFAOYSA-N 1 0 250.390 2.167 10 0 CEAERO CC[C@@H](C)n1ccc(C[C@H]([NH3+])Cc2ccncc2)n1 ZINC000085183118 178966512 /nfs/dbraw/zinc/96/65/12/178966512.db2.gz MFAAHWQGDLYTPO-TZMCWYRMSA-N 1 0 258.369 2.362 10 0 CEAERO CC[NH2+][C@](C)(CO)CCN(C)c1ccccc1C ZINC000085214702 178978469 /nfs/dbraw/zinc/97/84/69/178978469.db2.gz PBHFTJUZOSQYGQ-HNNXBMFYSA-N 1 0 250.386 2.182 10 0 CEAERO COCCCCC[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178310691 232369941 /nfs/dbraw/zinc/36/99/41/232369941.db2.gz DGFSPZUXOJBWPJ-OAHLLOKOSA-N 1 0 265.401 2.473 10 0 CEAERO COc1cccc(C[C@@H](NN)C2([NH+](C)C)CCCC2)c1F ZINC000097587855 185634033 /nfs/dbraw/zinc/63/40/33/185634033.db2.gz QEAKKORIKXWBDE-CQSZACIVSA-N 1 0 295.402 2.083 10 0 CEAERO CC[NH2+][C@](CO)(COC1CCCC1)c1ccccc1 ZINC000085282735 179000282 /nfs/dbraw/zinc/00/02/82/179000282.db2.gz LUDWJWCQQCUGRE-MRXNPFEDSA-N 1 0 263.381 2.443 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCCCOCC(F)(F)F ZINC000085282792 179000707 /nfs/dbraw/zinc/00/07/07/179000707.db2.gz GZQHTRQXOVVUSB-SNVBAGLBSA-N 1 0 257.296 2.096 10 0 CEAERO OC[C@@H](COc1ccccc1C(F)(F)F)[NH2+]C1CC1 ZINC000085282976 179001115 /nfs/dbraw/zinc/00/11/15/179001115.db2.gz DYLCXMZHHBFTFJ-JTQLQIEISA-N 1 0 275.270 2.197 10 0 CEAERO CCC[NH2+][C@@](C)(CO)COc1ccc(OCC)cc1 ZINC000085283386 179001694 /nfs/dbraw/zinc/00/16/94/179001694.db2.gz DAJBAZWYLHIYTQ-HNNXBMFYSA-N 1 0 267.369 2.215 10 0 CEAERO C[NH2+][C@@H](CO)CCOc1ccc(C(C)C)c(C)c1 ZINC000085284301 179001985 /nfs/dbraw/zinc/00/19/85/179001985.db2.gz FVGPSPLWSKGNRS-CYBMUJFWSA-N 1 0 251.370 2.468 10 0 CEAERO C[NH2+][C@H](CO)CCOc1ccc(C(C)(C)C)cc1 ZINC000085284351 179002311 /nfs/dbraw/zinc/00/23/11/179002311.db2.gz QTJZDCHZPHQFDO-ZDUSSCGKSA-N 1 0 251.370 2.333 10 0 CEAERO C[NH2+][C@@](C)(CO)C[C@@H](C)n1c(C)nc2ccccc21 ZINC000085263349 178993944 /nfs/dbraw/zinc/99/39/44/178993944.db2.gz XCHMLTBNWFFIMG-IAQYHMDHSA-N 1 0 261.369 2.266 10 0 CEAERO Cc1nn(CCC[C@](C)(CO)[NH2+]C(C)C)cc1Cl ZINC000085264832 178995337 /nfs/dbraw/zinc/99/53/37/178995337.db2.gz JWVIFRBFFLFXAY-CYBMUJFWSA-N 1 0 273.808 2.374 10 0 CEAERO CC(C)[NH2+][C@H](CO)COc1ccc2c(c1)CCCC2 ZINC000085267267 178997435 /nfs/dbraw/zinc/99/74/35/178997435.db2.gz QOHNHFCUECQJCY-OAHLLOKOSA-N 1 0 263.381 2.303 10 0 CEAERO C[C@H]1CCCC[C@@H]1OCC[C@@](C)(CO)[NH2+]C1CC1 ZINC000085269324 178997966 /nfs/dbraw/zinc/99/79/66/178997966.db2.gz AZYYDPHSJMXNMB-QEJZJMRPSA-N 1 0 255.402 2.475 10 0 CEAERO OC[C@@](COc1ccc(F)cc1)([NH2+]C1CC1)C1CC1 ZINC000085285182 179002730 /nfs/dbraw/zinc/00/27/30/179002730.db2.gz KJFQZOVHXBBHHJ-HNNXBMFYSA-N 1 0 265.328 2.098 10 0 CEAERO Cc1cccnc1CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000295124031 199358715 /nfs/dbraw/zinc/35/87/15/199358715.db2.gz XRTDFVRCWQCMFQ-YUELXQCFSA-N 1 0 260.381 2.336 10 0 CEAERO C[NH2+][C@](C)(CO)C[C@@H](C)Oc1ccc(F)c(F)c1 ZINC000085286748 179003876 /nfs/dbraw/zinc/00/38/76/179003876.db2.gz UTPAFJUMUDYFRE-RNCFNFMXSA-N 1 0 259.296 2.093 10 0 CEAERO C[NH2+][C@@](C)(CO)C[C@@H](C)Oc1ccc(F)c(F)c1 ZINC000085286751 179004021 /nfs/dbraw/zinc/00/40/21/179004021.db2.gz UTPAFJUMUDYFRE-NOZJJQNGSA-N 1 0 259.296 2.093 10 0 CEAERO CCCOc1ccc(O[C@H](C)C[C@](C)([NH3+])CO)cc1 ZINC000085286153 179004266 /nfs/dbraw/zinc/00/42/66/179004266.db2.gz YVZGSZOIIJFAJU-DOMZBBRYSA-N 1 0 267.369 2.343 10 0 CEAERO C[C@@H]1CC[C@@H](OCC[C@@H](CO)[NH2+]C2CC2)C[C@@H]1C ZINC000085287215 179004864 /nfs/dbraw/zinc/00/48/64/179004864.db2.gz UYZMVGZNRBZFDT-PAPYEOQZSA-N 1 0 255.402 2.331 10 0 CEAERO CC[NH2+][C@](C)(CO)C[C@@H](C)Sc1nccc(C)n1 ZINC000085287887 179005392 /nfs/dbraw/zinc/00/53/92/179005392.db2.gz YNCKYFGZVHINKK-YPMHNXCESA-N 1 0 269.414 2.016 10 0 CEAERO COc1ccc(S[C@H](C)C[C@](C)([NH3+])CO)cc1 ZINC000085291859 179006954 /nfs/dbraw/zinc/00/69/54/179006954.db2.gz VPXAYIQIARDSDF-MFKMUULPSA-N 1 0 255.383 2.276 10 0 CEAERO CCC[NH2+][C@H](CO)CSc1nc2ccccc2[nH]1 ZINC000085291723 179007236 /nfs/dbraw/zinc/00/72/36/179007236.db2.gz FQUSGEOTTPOHEC-SNVBAGLBSA-N 1 0 265.382 2.016 10 0 CEAERO CCC[NH2+]C[C@@H]1CCCCN1c1ncncc1Cl ZINC000097848612 136523224 /nfs/dbraw/zinc/52/32/24/136523224.db2.gz IKZYXXMWGYVYPK-NSHDSACASA-N 1 0 268.792 2.489 10 0 CEAERO CC[NH2+][C@](C)(CO)CSc1nc2ccccc2[nH]1 ZINC000085291757 179007263 /nfs/dbraw/zinc/00/72/63/179007263.db2.gz IVTVEFQOWZIIAJ-CYBMUJFWSA-N 1 0 265.382 2.016 10 0 CEAERO C[C@](CO)(CSc1ccc(F)cc1)[NH2+]C1CC1 ZINC000085291618 179007291 /nfs/dbraw/zinc/00/72/91/179007291.db2.gz GGRYXAWDJLRMPL-ZDUSSCGKSA-N 1 0 255.358 2.421 10 0 CEAERO C[C@@H](C[C@@](C)([NH3+])CO)Sc1nc2ccccc2[nH]1 ZINC000085291689 179007456 /nfs/dbraw/zinc/00/74/56/179007456.db2.gz XGXOGWFGDAJEAS-TVQRCGJNSA-N 1 0 265.382 2.143 10 0 CEAERO CCC[NH2+][C@@](C)(CO)C[C@@H](C)Sc1nncs1 ZINC000085292513 179007759 /nfs/dbraw/zinc/00/77/59/179007759.db2.gz MBQYUUMKQXUPSV-MWLCHTKSSA-N 1 0 275.443 2.159 10 0 CEAERO Cc1nnc(SCCC[C@](C)(CO)[NH2+]C(C)C)s1 ZINC000085297080 179008207 /nfs/dbraw/zinc/00/82/07/179008207.db2.gz FSGVUCBCTDIBNG-GFCCVEGCSA-N 1 0 289.470 2.468 10 0 CEAERO C[NH2+][C@@](C)(CO)CCSc1cc(F)ccc1F ZINC000085293092 179008262 /nfs/dbraw/zinc/00/82/62/179008262.db2.gz UNRYBUBLMFMSFP-GFCCVEGCSA-N 1 0 261.337 2.417 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)CCCSc1ncccn1 ZINC000085292735 179008584 /nfs/dbraw/zinc/00/85/84/179008584.db2.gz BDZSPAUWAMVYBG-CYBMUJFWSA-N 1 0 269.414 2.098 10 0 CEAERO CCC[NH2+][C@H](CO)CSc1ccc(F)c(F)c1 ZINC000085298087 179009001 /nfs/dbraw/zinc/00/90/01/179009001.db2.gz RJYUHIJTTXHNJI-SECBINFHSA-N 1 0 261.337 2.417 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)C[C@@H](C)Sc1nccn1C ZINC000085299123 179009577 /nfs/dbraw/zinc/00/95/77/179009577.db2.gz MABFPGPQZFFCGG-YPMHNXCESA-N 1 0 271.430 2.040 10 0 CEAERO COc1cc(C)ccc1OC[C@](C)(CO)[NH2+]C(C)C ZINC000085286001 179003165 /nfs/dbraw/zinc/00/31/65/179003165.db2.gz WXQAIQXEMZHSEI-HNNXBMFYSA-N 1 0 267.369 2.131 10 0 CEAERO Cc1ccc(N(C)CCC[C@](C)(O)C[NH3+])c(C)c1 ZINC000085303677 179010816 /nfs/dbraw/zinc/01/08/16/179010816.db2.gz PPIGAZGVNFNHGX-HNNXBMFYSA-N 1 0 250.386 2.230 10 0 CEAERO CCN(CC[C@@H](O)C[NH3+])c1cccc2ccccc21 ZINC000085303897 179011297 /nfs/dbraw/zinc/01/12/97/179011297.db2.gz BCHOSLJNNPLPQN-CQSZACIVSA-N 1 0 258.365 2.376 10 0 CEAERO Cc1ccc(N(C)CCC[C@@](C)(O)C[NH3+])c(C)c1 ZINC000085303681 179011338 /nfs/dbraw/zinc/01/13/38/179011338.db2.gz PPIGAZGVNFNHGX-OAHLLOKOSA-N 1 0 250.386 2.230 10 0 CEAERO CCc1nc2ccccc2n1CCC[C@@](C)(O)C[NH3+] ZINC000085304565 179012018 /nfs/dbraw/zinc/01/20/18/179012018.db2.gz JPKFTZDXHNJTOT-OAHLLOKOSA-N 1 0 261.369 2.089 10 0 CEAERO Cc1cc2ncn([C@H](C)C[C@@](C)(O)C[NH3+])c2cc1C ZINC000085304593 179012245 /nfs/dbraw/zinc/01/22/45/179012245.db2.gz VGXGVIJDZQXBQB-IUODEOHRSA-N 1 0 261.369 2.314 10 0 CEAERO [NH3+]C[C@](O)(COc1cccc2ccccc21)C1CC1 ZINC000085307141 179012557 /nfs/dbraw/zinc/01/25/57/179012557.db2.gz MSRJCKQKZZJCFY-INIZCTEOSA-N 1 0 257.333 2.318 10 0 CEAERO C[C@H](C[C@@](C)(O)C[NH3+])Sc1nc2ccccc2[nH]1 ZINC000085308487 179013042 /nfs/dbraw/zinc/01/30/42/179013042.db2.gz MMXZZXYYPRJCQA-NOZJJQNGSA-N 1 0 265.382 2.143 10 0 CEAERO C[C@@H]1COCCN1c1cc(Br)ccc1CC[NH3+] ZINC000104268822 136526416 /nfs/dbraw/zinc/52/64/16/136526416.db2.gz QHRMTRHDBXULRM-SNVBAGLBSA-N 1 0 299.212 2.175 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)OCCc1cccs1 ZINC000085331217 179020996 /nfs/dbraw/zinc/02/09/96/179020996.db2.gz DOZFARXXDGPHAK-VXGBXAGGSA-N 1 0 253.367 2.351 10 0 CEAERO COc1ccc(Cl)cc1NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085356298 179030389 /nfs/dbraw/zinc/03/03/89/179030389.db2.gz ZECONNRCABXQIY-ZJUUUORDSA-N 1 0 268.744 2.415 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)NCCc1ccccc1F ZINC000085356192 179030407 /nfs/dbraw/zinc/03/04/07/179030407.db2.gz XBSDJPHEMSUTMP-TZMCWYRMSA-N 1 0 264.344 2.002 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1CCCC[C@@H]1[NH3+])c1cccs1 ZINC000085358548 179031157 /nfs/dbraw/zinc/03/11/57/179031157.db2.gz VQBLCJJZZILWHY-MXWKQRLJSA-N 1 0 252.383 2.443 10 0 CEAERO Cc1ccc(CN(C)C(=O)[C@@H]2CCCC[C@@H]2[NH3+])o1 ZINC000085358360 179031240 /nfs/dbraw/zinc/03/12/40/179031240.db2.gz ZZCPECZICKSPKD-OLZOCXBDSA-N 1 0 250.342 2.064 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1cccc(-n2cccn2)c1 ZINC000085359623 179032066 /nfs/dbraw/zinc/03/20/66/179032066.db2.gz IQDODNCRHTTZSJ-HUUCEWRRSA-N 1 0 284.363 2.328 10 0 CEAERO Cc1ccc(-c2nnco2)cc1NC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085362066 179033516 /nfs/dbraw/zinc/03/35/16/179033516.db2.gz LWJOLMLVVMEDGI-NWDGAFQWSA-N 1 0 286.335 2.111 10 0 CEAERO CC[C@@H](NC(=O)[C@H]1CCC[C@@H]1[NH3+])c1ccc(OC)cc1 ZINC000085362896 179034037 /nfs/dbraw/zinc/03/40/37/179034037.db2.gz XGUDRBRROFPNLJ-SOUVJXGZSA-N 1 0 276.380 2.390 10 0 CEAERO CCOCc1ccccc1CNC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085365401 179036728 /nfs/dbraw/zinc/03/67/28/179036728.db2.gz KOWNSTXXFPBDMC-JKSUJKDBSA-N 1 0 290.407 2.357 10 0 CEAERO CN(CCOc1cccc(Cl)c1)C(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085367369 179037477 /nfs/dbraw/zinc/03/74/77/179037477.db2.gz BMOYRXRRSGXUOX-UONOGXRCSA-N 1 0 296.798 2.305 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)N(Cc1ccccc1F)C1CC1 ZINC000085367174 179037690 /nfs/dbraw/zinc/03/76/90/179037690.db2.gz UPFZQXXFKHFVMN-UKRRQHHQSA-N 1 0 276.355 2.444 10 0 CEAERO Cc1cc([C@@H]2CCCN2C(=O)[C@@H]2CCCC[C@@H]2[NH3+])on1 ZINC000085369076 179038642 /nfs/dbraw/zinc/03/86/42/179038642.db2.gz SDMGTFYWUJXUEZ-AGIUHOORSA-N 1 0 277.368 2.164 10 0 CEAERO CCOc1ccc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])cc1CO ZINC000085369565 179039245 /nfs/dbraw/zinc/03/92/45/179039245.db2.gz FMKWEBKADDJBGL-KBPBESRZSA-N 1 0 292.379 2.034 10 0 CEAERO CC(C)(CNC(=O)[C@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000085369605 179039414 /nfs/dbraw/zinc/03/94/14/179039414.db2.gz GEEKXMMAFXMRSY-KBPBESRZSA-N 1 0 260.381 2.208 10 0 CEAERO Cc1ccc(OC[C@H](C)NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000085370565 179040586 /nfs/dbraw/zinc/04/05/86/179040586.db2.gz CVJVBMQFVYGJHO-IMJJTQAJSA-N 1 0 290.407 2.396 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)N[C@@H]1CCCc2occc21 ZINC000085371189 179041243 /nfs/dbraw/zinc/04/12/43/179041243.db2.gz UIBIPRFABFCJOV-KGYLQXTDSA-N 1 0 262.353 2.291 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])c1cccc(F)c1 ZINC000085370956 179041353 /nfs/dbraw/zinc/04/13/53/179041353.db2.gz XMKVAGOLHABMEJ-BIMULSAOSA-N 1 0 250.317 2.130 10 0 CEAERO COc1ccc(C)cc1CN(C)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085371896 179041749 /nfs/dbraw/zinc/04/17/49/179041749.db2.gz MGGNSKXPJXVEAX-GJZGRUSLSA-N 1 0 290.407 2.480 10 0 CEAERO CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000085372141 179041805 /nfs/dbraw/zinc/04/18/05/179041805.db2.gz HIXSMTIZFDZBFH-ZIAGYGMSSA-N 1 0 290.363 2.319 10 0 CEAERO CC(C)Oc1ncccc1CNC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085372294 179042251 /nfs/dbraw/zinc/04/22/51/179042251.db2.gz QXKGBSRGKKWAQG-UONOGXRCSA-N 1 0 291.395 2.003 10 0 CEAERO CC(C)Oc1ncccc1CNC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085372293 179042295 /nfs/dbraw/zinc/04/22/95/179042295.db2.gz QXKGBSRGKKWAQG-ZIAGYGMSSA-N 1 0 291.395 2.003 10 0 CEAERO CC(C)Oc1ncccc1NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085372306 179042395 /nfs/dbraw/zinc/04/23/95/179042395.db2.gz FRGDDCIIDFIABD-NEPJUHHUSA-N 1 0 277.368 2.325 10 0 CEAERO COc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])cc1C ZINC000085372626 179042473 /nfs/dbraw/zinc/04/24/73/179042473.db2.gz ICLVTJHDYAYQLY-OLZOCXBDSA-N 1 0 262.353 2.460 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCCN2C)C1(C)C ZINC000085398052 179050749 /nfs/dbraw/zinc/05/07/49/179050749.db2.gz OJIHYDFSHAORMQ-MJBXVCDLSA-N 1 0 254.418 2.264 10 0 CEAERO CCOC(=O)CCC[NH2+][C@H]1C[C@@H](OCC)C1(C)C ZINC000085398802 179050956 /nfs/dbraw/zinc/05/09/56/179050956.db2.gz KARONMNIARLCTB-NWDGAFQWSA-N 1 0 257.374 2.123 10 0 CEAERO CC(C)CO[C@@H]1C[C@H]([NH2+]CCC(=O)N2CCCC2)C1(C)C ZINC000085399688 179051322 /nfs/dbraw/zinc/05/13/22/179051322.db2.gz MNYZIWHMIYSMQO-LSDHHAIUSA-N 1 0 296.455 2.428 10 0 CEAERO CC(C)CO[C@H]1C[C@H]([NH2+]CCc2nccn2C)C1(C)C ZINC000085400987 179051615 /nfs/dbraw/zinc/05/16/15/179051615.db2.gz AVGYRCCJSOSLJI-KBPBESRZSA-N 1 0 279.428 2.392 10 0 CEAERO [NH3+]CCCN(c1ccccc1)S(=O)(=O)C1CCCC1 ZINC000097834564 185672407 /nfs/dbraw/zinc/67/24/07/185672407.db2.gz SAMYOTFRFQTQHG-UHFFFAOYSA-N 1 0 282.409 2.114 10 0 CEAERO Fc1ccc(-c2noc([C@H]3CC[NH2+]C3)n2)cc1F ZINC000062119679 362710898 /nfs/dbraw/zinc/71/08/98/362710898.db2.gz HRDAWPNWNJMKSL-QMMMGPOBSA-N 1 0 251.236 2.092 10 0 CEAERO CC(=O)NCC[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000085433268 179060380 /nfs/dbraw/zinc/06/03/80/179060380.db2.gz UQJJWEAZLFLVNI-VIFPVBQESA-N 1 0 263.366 2.083 10 0 CEAERO C[C@H](CS(C)(=O)=O)[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000085434201 179061373 /nfs/dbraw/zinc/06/13/73/179061373.db2.gz JWCYILWYKIBXHO-NXEZZACHSA-N 1 0 298.433 2.380 10 0 CEAERO CC(C)CN(CCC[NH3+])c1ncncc1Br ZINC000085464939 179070613 /nfs/dbraw/zinc/07/06/13/179070613.db2.gz YQGYBQHABORYGX-UHFFFAOYSA-N 1 0 287.205 2.050 10 0 CEAERO C[C@H](Nc1ncncc1Br)[C@H]1CCC[NH2+]C1 ZINC000085466518 179071588 /nfs/dbraw/zinc/07/15/88/179071588.db2.gz IVGGCOQWEOLSOG-IUCAKERBSA-N 1 0 285.189 2.039 10 0 CEAERO CC[C@@H](C)[C@H]1CN[C@H](C(C)C)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085466805 179071877 /nfs/dbraw/zinc/07/18/77/179071877.db2.gz UFGKWJKMHXCJCE-FXUDXRNXSA-N 1 0 268.445 2.367 10 0 CEAERO CC[C@@H](C)[C@@H]1CN[C@H](C(C)C)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085466799 179071905 /nfs/dbraw/zinc/07/19/05/179071905.db2.gz UFGKWJKMHXCJCE-UGUYLWEFSA-N 1 0 268.445 2.367 10 0 CEAERO CC(C)[C@@H]1CN([C@@H]2CCOC2)[C@H](C(C)(C)C)C[NH2+]1 ZINC000085467285 179072529 /nfs/dbraw/zinc/07/25/29/179072529.db2.gz XIHIWGKSAKGFCA-RDBSUJKOSA-N 1 0 254.418 2.120 10 0 CEAERO C[C@]1(C2CC2)C[NH2+]CCN1CCOc1ccccc1 ZINC000085452496 179066318 /nfs/dbraw/zinc/06/63/18/179066318.db2.gz ULLLBFQXMUHAKB-MRXNPFEDSA-N 1 0 260.381 2.139 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@@H](C)CN1Cc1ccn(C(C)C)n1 ZINC000085454211 179066758 /nfs/dbraw/zinc/06/67/58/179066758.db2.gz GLECZYHVTDEYJE-ZFWWWQNUSA-N 1 0 264.417 2.426 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C)CN1Cc1ccn(C(C)C)n1 ZINC000085453312 179066924 /nfs/dbraw/zinc/06/69/24/179066924.db2.gz VEOOEILYNYDTJJ-TZMCWYRMSA-N 1 0 250.390 2.036 10 0 CEAERO CCC[C@@H]1CNC(C)(C)C[N@@H+]1CCCn1ccnc1 ZINC000085469465 179074699 /nfs/dbraw/zinc/07/46/99/179074699.db2.gz CAOGXIIRLPXRJC-CQSZACIVSA-N 1 0 264.417 2.126 10 0 CEAERO C[C@@H]1CN(C[C@@H]2CCCCO2)[C@H](C(C)(C)C)C[NH2+]1 ZINC000085454766 179068053 /nfs/dbraw/zinc/06/80/53/179068053.db2.gz BXNJHSMTIRSOLP-RDBSUJKOSA-N 1 0 254.418 2.264 10 0 CEAERO CC[C@@H]1CN(CCOCC(F)(F)F)[C@@H](CC)C[NH2+]1 ZINC000085472118 179077042 /nfs/dbraw/zinc/07/70/42/179077042.db2.gz KYPMOLVRBUFGDU-MNOVXSKESA-N 1 0 268.323 2.028 10 0 CEAERO CC[C@H](C)[C@H]1CN(C[C@@H]2CCCO2)[C@H](C2CC2)C[NH2+]1 ZINC000085492149 179082117 /nfs/dbraw/zinc/08/21/17/179082117.db2.gz WAGAZHJRWATXRA-HNKHHVNMSA-N 1 0 266.429 2.264 10 0 CEAERO O=C1COc2ccc(CCCC[NH2+]C3CC3)cc2N1 ZINC000098130572 185692169 /nfs/dbraw/zinc/69/21/69/185692169.db2.gz FWXHXRXOVXQSIQ-UHFFFAOYSA-N 1 0 260.337 2.092 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1Cc1ncccn1 ZINC000085475519 179078914 /nfs/dbraw/zinc/07/89/14/179078914.db2.gz NUGPIYDIVIYXID-OLZOCXBDSA-N 1 0 262.401 2.075 10 0 CEAERO CC[C@H]1CN[C@](C)(CC)C[N@@H+]1CC1CCOCC1 ZINC000085494748 179082259 /nfs/dbraw/zinc/08/22/59/179082259.db2.gz NEPXDOKGTGHRQF-LSDHHAIUSA-N 1 0 254.418 2.266 10 0 CEAERO CC(C)C[C@H]1CN(C[C@@H]2CCCO2)[C@H](C2CC2)C[NH2+]1 ZINC000085488119 179081447 /nfs/dbraw/zinc/08/14/47/179081447.db2.gz YZCTXGXERHKKMY-JYJNAYRXSA-N 1 0 266.429 2.264 10 0 CEAERO CC1(C)C[NH2+][C@H](c2ccccc2)CN1Cc1ncccn1 ZINC000085507510 179085821 /nfs/dbraw/zinc/08/58/21/179085821.db2.gz SPFWUGLTCWNOER-HNNXBMFYSA-N 1 0 282.391 2.402 10 0 CEAERO CC1(C)C[NH2+][C@@](C)(C2CC2)CN1Cc1cccnc1 ZINC000085514766 179086256 /nfs/dbraw/zinc/08/62/56/179086256.db2.gz YWWXXOPAIAGWAO-MRXNPFEDSA-N 1 0 259.397 2.434 10 0 CEAERO CC[C@]1(C)C[NH2+][C@@](C)(C2CC2)CN1Cc1cnn(C)c1 ZINC000085515414 179086350 /nfs/dbraw/zinc/08/63/50/179086350.db2.gz LNDQIVGKPNEZOH-HZPDHXFCSA-N 1 0 276.428 2.163 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@@](C)(C2CC2)CN1CCn1cccn1 ZINC000085515060 179086383 /nfs/dbraw/zinc/08/63/83/179086383.db2.gz VPWSBOPGJWFZQH-JKSUJKDBSA-N 1 0 276.428 2.126 10 0 CEAERO CC(C)[C@@H]1CN[C@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085512489 179086419 /nfs/dbraw/zinc/08/64/19/179086419.db2.gz FGFAOSHAAMAXJD-BPUTZDHNSA-N 1 0 266.429 2.121 10 0 CEAERO CC(C)(C)[C@@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1ncccn1 ZINC000085513913 179086537 /nfs/dbraw/zinc/08/65/37/179086537.db2.gz AEQVZRSWPIFHSV-YOEHRIQHSA-N 1 0 288.439 2.465 10 0 CEAERO C[C@@]1(C2CC2)CN[C@@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085516414 179087603 /nfs/dbraw/zinc/08/76/03/179087603.db2.gz FOZBWUDRTKOFEF-XKQJLSEDSA-N 1 0 278.440 2.266 10 0 CEAERO CCC1(CC)CN(CCOCCOC)[C@](C)(C2CC2)C[NH2+]1 ZINC000085520926 179087695 /nfs/dbraw/zinc/08/76/95/179087695.db2.gz ZJZVLBAYQABHRK-INIZCTEOSA-N 1 0 298.471 2.282 10 0 CEAERO CC[C@@]1(C)C[N@H+]([C@@H]2CCOC2)C2(CCCC2)CN1 ZINC000085497115 179082990 /nfs/dbraw/zinc/08/29/90/179082990.db2.gz YCJQQAKYCTVXCH-KGLIPLIRSA-N 1 0 252.402 2.162 10 0 CEAERO CC[C@]1(C)C[N@H+](C[C@@H]2CCOC2)[C@@](C)(CC)CN1 ZINC000085496858 179083421 /nfs/dbraw/zinc/08/34/21/179083421.db2.gz HDJFSUTWUGDIQX-ZNMIVQPWSA-N 1 0 254.418 2.266 10 0 CEAERO C[C@@H]1C[NH2+]C2(CCCC2)CN1CCOCC(F)(F)F ZINC000085497493 179083878 /nfs/dbraw/zinc/08/38/78/179083878.db2.gz IULMTAQVTALRPV-LLVKDONJSA-N 1 0 280.334 2.172 10 0 CEAERO CC[C@@H]1CN[C@H](c2ccccc2)C[N@@H+]1CCCOC ZINC000085505065 179084204 /nfs/dbraw/zinc/08/42/04/179084204.db2.gz LVARIEUJJBWUFO-CVEARBPZSA-N 1 0 262.397 2.448 10 0 CEAERO CC1(C)C[NH2+]C2(CCCCC2)CN1CCn1cccn1 ZINC000085503444 179084232 /nfs/dbraw/zinc/08/42/32/179084232.db2.gz CDXWILJEULNDLX-UHFFFAOYSA-N 1 0 276.428 2.270 10 0 CEAERO CC[C@H]1C[NH2+][C@H](c2ccccc2)CN1Cc1cnn(C)c1 ZINC000085505597 179084582 /nfs/dbraw/zinc/08/45/82/179084582.db2.gz GJOKGJCBYLONQU-IRXDYDNUSA-N 1 0 284.407 2.345 10 0 CEAERO C[C@@H]1CN[C@H](c2ccccc2)C[N@@H+]1CCCn1ccnc1 ZINC000085504275 179084685 /nfs/dbraw/zinc/08/46/85/179084685.db2.gz FCCLBVGNOXKQSH-WBVHZDCISA-N 1 0 284.407 2.308 10 0 CEAERO CC1(C)C[NH2+][C@H](C2CC2)CN1CCOCC(F)(F)F ZINC000085527749 179090305 /nfs/dbraw/zinc/09/03/05/179090305.db2.gz PCLSHSVGSOLECB-NSHDSACASA-N 1 0 280.334 2.028 10 0 CEAERO C[C@@]1(C2CC2)CN[C@H](C2CC2)C[N@@H+]1C[C@@H]1CCCCO1 ZINC000085529425 179091518 /nfs/dbraw/zinc/09/15/18/179091518.db2.gz ALCHWPLITKZYIX-ULQDDVLXSA-N 1 0 278.440 2.408 10 0 CEAERO C[C@@]1(C2CC2)CN[C@H](C2CC2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085529407 179091667 /nfs/dbraw/zinc/09/16/67/179091667.db2.gz JOZXXFUVLDDFIX-JYJNAYRXSA-N 1 0 264.413 2.018 10 0 CEAERO C[C@H]([NH3+])c1nc(CN(C)CC(F)(F)F)cs1 ZINC000085549896 179092981 /nfs/dbraw/zinc/09/29/81/179092981.db2.gz VCFKTMFRYMKAAD-LURJTMIESA-N 1 0 253.293 2.157 10 0 CEAERO C[NH2+][C@@](C)(CCCCOc1cc(C)ccc1F)C(N)=O ZINC000085560738 179094601 /nfs/dbraw/zinc/09/46/01/179094601.db2.gz MHYZWICMWQTEKF-HNNXBMFYSA-N 1 0 282.359 2.147 10 0 CEAERO c1nc2c(n1C13CC4CC(CC(C4)C1)C3)CC[NH2+]C2 ZINC000085567162 179094871 /nfs/dbraw/zinc/09/48/71/179094871.db2.gz RNUNZPYCKDLPJL-UHFFFAOYSA-N 1 0 257.381 2.454 10 0 CEAERO CCOCCCn1c(CC(C)C)nc2c1CC[NH2+]C2 ZINC000085569089 179096677 /nfs/dbraw/zinc/09/66/77/179096677.db2.gz QWDXXTRJGNRGCG-UHFFFAOYSA-N 1 0 265.401 2.154 10 0 CEAERO CCc1nc2c(n1-c1cccc(F)c1F)CC[NH2+]C2 ZINC000085572116 179096956 /nfs/dbraw/zinc/09/69/56/179096956.db2.gz VGRQHNIVLYPVKR-UHFFFAOYSA-N 1 0 263.291 2.359 10 0 CEAERO CC(C)[C@H]1CN(Cc2ccn(C(C)C)n2)CCC[NH2+]1 ZINC000085608444 179101085 /nfs/dbraw/zinc/10/10/85/179101085.db2.gz LTMHSVWTFVDNLN-OAHLLOKOSA-N 1 0 264.417 2.284 10 0 CEAERO CC(C)(C)[C@@H]1CN(CCOCC(F)(F)F)CCC[NH2+]1 ZINC000085613602 179103295 /nfs/dbraw/zinc/10/32/95/179103295.db2.gz WRWUQCSOMYCFPM-NSHDSACASA-N 1 0 282.350 2.275 10 0 CEAERO CN(CC[C@@H]1CSCC[NH2+]1)Cc1ccsc1 ZINC000085615410 179104620 /nfs/dbraw/zinc/10/46/20/179104620.db2.gz SDXSTURYULEICQ-GFCCVEGCSA-N 1 0 256.440 2.275 10 0 CEAERO C[C@H]1CC[NH2+]C(C)(C)CN1CCOCC(F)(F)F ZINC000085622482 179105593 /nfs/dbraw/zinc/10/55/93/179105593.db2.gz JZHLAHOYOUEWHX-JTQLQIEISA-N 1 0 268.323 2.028 10 0 CEAERO CCCCOC[C@@H](O)C[NH2+][C@H]1CC2CCC1CC2 ZINC000336796190 365819966 /nfs/dbraw/zinc/81/99/66/365819966.db2.gz QJAAOFMOYNICPI-WUCCLRPBSA-N 1 0 255.402 2.332 10 0 CEAERO [NH3+]Cc1cncc(Oc2ccccc2Br)n1 ZINC000085695076 179116236 /nfs/dbraw/zinc/11/62/36/179116236.db2.gz IXPYHWXRCYFTPP-UHFFFAOYSA-N 1 0 280.125 2.490 10 0 CEAERO [NH3+][C@@H](c1cncnc1)c1cc(F)cc(Br)c1 ZINC000085633699 179108785 /nfs/dbraw/zinc/10/87/85/179108785.db2.gz UNUQZOKJQNWNDX-LLVKDONJSA-N 1 0 282.116 2.426 10 0 CEAERO [NH3+]CCc1nc(-c2cc(F)cc(Br)c2)no1 ZINC000085633152 179108840 /nfs/dbraw/zinc/10/88/40/179108840.db2.gz MKUQMYAACZZDNX-UHFFFAOYSA-N 1 0 286.104 2.139 10 0 CEAERO COC(C[NH2+]Cc1ccc(Br)c(C)c1)OC ZINC000085706760 179121697 /nfs/dbraw/zinc/12/16/97/179121697.db2.gz QQRZZQYJPXUXER-UHFFFAOYSA-N 1 0 288.185 2.466 10 0 CEAERO O[C@@H](Cc1ccccc1)C1([NH+]2CCOCC2)CCCC1 ZINC000085752776 179144308 /nfs/dbraw/zinc/14/43/08/179144308.db2.gz XNXFGBGPLRDHFC-INIZCTEOSA-N 1 0 275.392 2.235 10 0 CEAERO Cc1ccc(C)c(OCCCN2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC000336813866 365855065 /nfs/dbraw/zinc/85/50/65/365855065.db2.gz VTFWRBGHLSCMLL-HUUCEWRRSA-N 1 0 262.397 2.494 10 0 CEAERO CCS(=O)(=O)c1ccccc1NC[C@]1(C)CCC[NH2+]C1 ZINC000129419363 365855769 /nfs/dbraw/zinc/85/57/69/365855769.db2.gz KSJADHKTKQQMAJ-OAHLLOKOSA-N 1 0 296.436 2.282 10 0 CEAERO C[NH2+][C@H](Cc1cc(Br)ccc1F)CN(C)C ZINC000085798630 179173307 /nfs/dbraw/zinc/17/33/07/179173307.db2.gz DGHOICVDEICGGV-LLVKDONJSA-N 1 0 289.192 2.280 10 0 CEAERO [NH3+]Cc1ccccc1NS(=O)(=O)CCc1ccccc1 ZINC000085810622 179177297 /nfs/dbraw/zinc/17/72/97/179177297.db2.gz UFDSLNADMNMICQ-UHFFFAOYSA-N 1 0 290.388 2.130 10 0 CEAERO CC(C)n1c2cccc(F)c2nc1[C@@]1([NH3+])CCOC1 ZINC000085849709 179187468 /nfs/dbraw/zinc/18/74/68/179187468.db2.gz PLUHSGFTNGQINO-CQSZACIVSA-N 1 0 263.316 2.331 10 0 CEAERO CCCn1c2ccc(C)cc2nc1[C@@]1([NH3+])CCOC1 ZINC000085849446 179187614 /nfs/dbraw/zinc/18/76/14/179187614.db2.gz PVCYBISRLGZFSP-OAHLLOKOSA-N 1 0 259.353 2.329 10 0 CEAERO CC(C)(C)c1ccc(NC(=O)[C@@]2([NH3+])CCOC2)cc1 ZINC000085867384 179192011 /nfs/dbraw/zinc/19/20/11/179192011.db2.gz OSZFUKFQVSMEQK-OAHLLOKOSA-N 1 0 262.353 2.040 10 0 CEAERO C[C@H](C[NH3+])[C@](C)(O)c1ccccc1Br ZINC000085899479 179195941 /nfs/dbraw/zinc/19/59/41/179195941.db2.gz SUGDBXXEFOLVBC-KCJUWKMLSA-N 1 0 258.159 2.251 10 0 CEAERO [NH3+]CC1([C@@H](O)c2ccc(Br)o2)CCC1 ZINC000085902615 179196044 /nfs/dbraw/zinc/19/60/44/179196044.db2.gz ZQAFYNAYYRWMAP-VIFPVBQESA-N 1 0 260.131 2.205 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1CNC(=O)c1ccccc1F ZINC000085965018 179205432 /nfs/dbraw/zinc/20/54/32/179205432.db2.gz FQHMFZOPECITIO-GXFFZTMASA-N 1 0 250.317 2.073 10 0 CEAERO COc1cccc(C[N@@H+]2CCC[C@@H](c3nncn3C)C2)c1 ZINC000065287764 362808224 /nfs/dbraw/zinc/80/82/24/362808224.db2.gz QMNUANUTXVVUDP-CQSZACIVSA-N 1 0 286.379 2.203 10 0 CEAERO [NH3+][C@H](CCO)COc1ccc(Cc2ccccc2)cc1 ZINC000085921430 179200568 /nfs/dbraw/zinc/20/05/68/179200568.db2.gz XOANAQGUTKTWER-MRXNPFEDSA-N 1 0 271.360 2.366 10 0 CEAERO Cc1cc(C(C)(C)C)ccc1OC[C@H]([NH3+])CCO ZINC000085921388 179200573 /nfs/dbraw/zinc/20/05/73/179200573.db2.gz KSPQCBZCWHKOOY-CYBMUJFWSA-N 1 0 251.370 2.381 10 0 CEAERO CC[NH2+][C@@H](CCO)CN1CCC[C@H](C(C)(C)C)CC1 ZINC000085923218 179201066 /nfs/dbraw/zinc/20/10/66/179201066.db2.gz RFEDCHPPCXEOAF-GJZGRUSLSA-N 1 0 270.461 2.495 10 0 CEAERO CC[NH2+][C@H](CCO)C[S@@](=O)c1ccc(C(C)(C)C)cc1 ZINC000085927568 179201936 /nfs/dbraw/zinc/20/19/36/179201936.db2.gz XJGPHBSJZNFQJD-VLIAUNLRSA-N 1 0 297.464 2.452 10 0 CEAERO CC[NH2+][C@H](CCO)COc1ccc(C)cc1Cl ZINC000085927162 179201957 /nfs/dbraw/zinc/20/19/57/179201957.db2.gz KDZLEZCDBFMVPK-LLVKDONJSA-N 1 0 257.761 2.388 10 0 CEAERO CC[NH2+][C@@H](CCO)CSc1ccc(NC(C)=O)cc1 ZINC000085928880 179202704 /nfs/dbraw/zinc/20/27/04/179202704.db2.gz QQPJXPFPSWQCAI-ZDUSSCGKSA-N 1 0 282.409 2.098 10 0 CEAERO CC[NH2+][C@H](CCO)CSc1ccc(OC)cc1 ZINC000085928637 179202826 /nfs/dbraw/zinc/20/28/26/179202826.db2.gz KDXKBVOSCYLEID-LLVKDONJSA-N 1 0 255.383 2.148 10 0 CEAERO C[C@H](O)CC[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000086014527 179215433 /nfs/dbraw/zinc/21/54/33/179215433.db2.gz WDLVBFATCWILDH-CABZTGNLSA-N 1 0 277.286 2.099 10 0 CEAERO C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CCCC[C@@H]2O)cc1 ZINC000085982787 179209839 /nfs/dbraw/zinc/20/98/39/179209839.db2.gz YXPAQRUNYIJLLK-HOTGVXAUSA-N 1 0 290.407 2.029 10 0 CEAERO C[C@](O)(C[NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccccc1 ZINC000085985145 179211195 /nfs/dbraw/zinc/21/11/95/179211195.db2.gz HQGXOQOTEWELMP-BPUTZDHNSA-N 1 0 263.381 2.035 10 0 CEAERO CC[NH2+][C@@H]1CC[C@H](S(=O)(=O)c2ccc(OC)cc2)[C@@H]1C ZINC000086040758 179222462 /nfs/dbraw/zinc/22/24/62/179222462.db2.gz UJFGKOCQFVUYCE-DFBGVHRSSA-N 1 0 297.420 2.246 10 0 CEAERO CCC[NH2+][C@@H]1CC[C@H](Sc2nnc(C)n2C)[C@@H]1C ZINC000086045960 179222819 /nfs/dbraw/zinc/22/28/19/179222819.db2.gz HNYWJRZZUJNPNF-JLLWLGSASA-N 1 0 268.430 2.382 10 0 CEAERO CCCc1cc(=O)[nH]c(S[C@@H]2CC[C@H]([NH2+]C)[C@@H]2C)n1 ZINC000086044554 179222884 /nfs/dbraw/zinc/22/28/84/179222884.db2.gz WLUJFIWNRFNRJP-ZMLRMANQSA-N 1 0 281.425 2.201 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)Nc1ccc(F)cc1Br ZINC000086065258 179223900 /nfs/dbraw/zinc/22/39/00/179223900.db2.gz ZXPHIOUSBIORJZ-SSDOTTSWSA-N 1 0 289.148 2.382 10 0 CEAERO C[C@@H]1CC[C@@H](NC(=O)C2(C[NH3+])CCCCC2)[C@@H]1C ZINC000086073957 179224847 /nfs/dbraw/zinc/22/48/47/179224847.db2.gz VLILXICSWJJTCE-JHJVBQTASA-N 1 0 252.402 2.446 10 0 CEAERO C[C@@H]1CC[C@@H](NC(=O)CCC2CC[NH2+]CC2)[C@@H]1C ZINC000086076021 179225764 /nfs/dbraw/zinc/22/57/64/179225764.db2.gz YYMNRCHPDORAGP-YRGRVCCFSA-N 1 0 252.402 2.317 10 0 CEAERO C[C@H]1[C@H]([NH2+]Cc2ccc(C(N)=O)cc2F)CC[C@@H]1C ZINC000086075903 179225864 /nfs/dbraw/zinc/22/58/64/179225864.db2.gz LFBCROFAEWZNER-IMSIIYSGSA-N 1 0 264.344 2.449 10 0 CEAERO CC[NH2+][C@H](Cc1ccc(C)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000086026794 179219897 /nfs/dbraw/zinc/21/98/97/179219897.db2.gz UHIVIIMXGYXAAL-HZPDHXFCSA-N 1 0 295.448 2.259 10 0 CEAERO CCC[NH2+][C@H]1CC[C@H](S(=O)(=O)[C@@H](C)CC)[C@@H]1C ZINC000086041257 179221976 /nfs/dbraw/zinc/22/19/76/179221976.db2.gz LJGACUIMKMZSJM-RNJOBUHISA-N 1 0 261.431 2.366 10 0 CEAERO Cc1ccc(S(=O)(=O)[C@H]2CC[C@@H]([NH3+])[C@@H]2C)cc1C ZINC000086040529 179222020 /nfs/dbraw/zinc/22/20/20/179222020.db2.gz DUNFCNJZAVDWHU-YUTCNCBUSA-N 1 0 267.394 2.203 10 0 CEAERO C[C@@H]1[C@@H](C)CC[C@@H]1NC(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000086082069 179228352 /nfs/dbraw/zinc/22/83/52/179228352.db2.gz CJOHPGHSPWGAKR-RNSXUZJQSA-N 1 0 282.775 2.185 10 0 CEAERO Cc1ncsc1CN1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC000086149044 179239927 /nfs/dbraw/zinc/23/99/27/179239927.db2.gz SXWYDKFXZWHQTL-OAHLLOKOSA-N 1 0 287.432 2.468 10 0 CEAERO c1ccc([C@H]2C[NH2+]CCN2CCc2ccccn2)cc1 ZINC000086177204 179247231 /nfs/dbraw/zinc/24/72/31/179247231.db2.gz CPRMLYWEDGYYOE-QGZVFWFLSA-N 1 0 267.376 2.271 10 0 CEAERO CC(C)(C)[C@@H]1CN([C@@H]2COc3ccccc32)CC[NH2+]1 ZINC000086150086 179240478 /nfs/dbraw/zinc/24/04/78/179240478.db2.gz ALZBPLVCAKYWOY-HIFRSBDPSA-N 1 0 260.381 2.440 10 0 CEAERO Cc1csc(CN2C[C@@H](C(C)C)[NH2+]C[C@@H]2C)n1 ZINC000086173098 179244441 /nfs/dbraw/zinc/24/44/41/179244441.db2.gz DUIRGUGHCNNKNM-RYUDHWBXSA-N 1 0 253.415 2.270 10 0 CEAERO Cc1nc(CN2C[C@@H](C)[NH2+]C[C@@H]2C(C)C)cs1 ZINC000086173078 179244548 /nfs/dbraw/zinc/24/45/48/179244548.db2.gz AIMAUNPMSBXINN-ZWNOBZJWSA-N 1 0 253.415 2.270 10 0 CEAERO Cc1cnc(CN2C[C@@H](C(C)C)[NH2+]C[C@@H]2C(C)C)cn1 ZINC000086174981 179245787 /nfs/dbraw/zinc/24/57/87/179245787.db2.gz HAXMAJCZGLZAPW-JKSUJKDBSA-N 1 0 276.428 2.239 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@H](C)CN1CCc1nccs1 ZINC000086175434 179245957 /nfs/dbraw/zinc/24/59/57/179245957.db2.gz AKOXQQPQHKMIHG-NEPJUHHUSA-N 1 0 253.415 2.004 10 0 CEAERO COC[C@H](C)[N@@H+]1C[C@H](C(C)(C)C)NC[C@@H]1C(C)C ZINC000086180055 179246924 /nfs/dbraw/zinc/24/69/24/179246924.db2.gz HFZOCIMTONZWIL-BFHYXJOUSA-N 1 0 256.434 2.366 10 0 CEAERO COc1cc(CN2CC[NH2+][C@@H](C3CCCCC3)C2)ccn1 ZINC000086148563 179239658 /nfs/dbraw/zinc/23/96/58/179239658.db2.gz XVUBLZAOAZKLHO-MRXNPFEDSA-N 1 0 289.423 2.444 10 0 CEAERO CC[C@H](C)[C@@H]1CN(Cc2ccc3c(c2)OCO3)CC[NH2+]1 ZINC000086148218 179239827 /nfs/dbraw/zinc/23/98/27/179239827.db2.gz GZTZLJFPHHUVNZ-JSGCOSHPSA-N 1 0 276.380 2.235 10 0 CEAERO COc1ccc(Br)cc1[C@H]1OCC[C@@H]1[NH3+] ZINC000086249803 179255954 /nfs/dbraw/zinc/25/59/54/179255954.db2.gz QZGMLPLHKWAMFE-GXSJLCMTSA-N 1 0 272.142 2.246 10 0 CEAERO CC[C@H]1C[N@H+]([C@@H](C)[C@@H]2CCCO2)[C@H](C(C)C)CN1 ZINC000086218225 179249314 /nfs/dbraw/zinc/24/93/14/179249314.db2.gz CRIDTBSDHNTKJL-AJNGGQMLSA-N 1 0 254.418 2.262 10 0 CEAERO C[C@H]1C[NH2+][C@H](C2CCCCC2)CN1c1cnn(C)c1 ZINC000086218313 179250137 /nfs/dbraw/zinc/25/01/37/179250137.db2.gz XPTKQUCYUOMDPN-WFASDCNBSA-N 1 0 262.401 2.167 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C2CC2)CN1Cc1csc(C)n1 ZINC000086226954 179253433 /nfs/dbraw/zinc/25/34/33/179253433.db2.gz SWMYQJYLJIMFDL-ZIAGYGMSSA-N 1 0 265.426 2.414 10 0 CEAERO CC[C@@H]1C[N@H+](C[C@@H]2CCCOC2)[C@H](C(C)C)CN1 ZINC000086260137 179259466 /nfs/dbraw/zinc/25/94/66/179259466.db2.gz YVKYEILBDJITAU-ZNMIVQPWSA-N 1 0 254.418 2.121 10 0 CEAERO CCC1(CC)CN(Cc2cc(C)no2)[C@@H](C)C[NH2+]1 ZINC000086260398 179260072 /nfs/dbraw/zinc/26/00/72/179260072.db2.gz GCFXLEXECGMRRP-LBPRGKRZSA-N 1 0 251.374 2.336 10 0 CEAERO CO[C@H]1CCC[C@H]1[N@@H+]1C[C@](C)(C2CC2)NC[C@@H]1C ZINC000086261328 179260286 /nfs/dbraw/zinc/26/02/86/179260286.db2.gz HEMKPGYSNHPAMA-PMOUVXMZSA-N 1 0 252.402 2.016 10 0 CEAERO CC[C@H]1C[NH2+][C@H](c2ccccc2)CN1Cc1nccn1C ZINC000086264842 179260934 /nfs/dbraw/zinc/26/09/34/179260934.db2.gz DKCDAJMDKZQBFE-HOTGVXAUSA-N 1 0 284.407 2.345 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C2CC2)CN1Cc1ccc(OC)nc1 ZINC000086263914 179261165 /nfs/dbraw/zinc/26/11/65/179261165.db2.gz NRMUZJJHPZQBJL-GJZGRUSLSA-N 1 0 275.396 2.053 10 0 CEAERO COCC[C@H](C)[N@@H+]1CC2(CCCCC2)NC[C@@H]1C ZINC000086268094 179261742 /nfs/dbraw/zinc/26/17/42/179261742.db2.gz NOJSRZHXKBNXQV-KBPBESRZSA-N 1 0 254.418 2.408 10 0 CEAERO CC(C)[C@H]1C[NH2+]C(C)(C)CN1CCc1cscn1 ZINC000086265560 179261842 /nfs/dbraw/zinc/26/18/42/179261842.db2.gz QJGQPHDURYAKES-CYBMUJFWSA-N 1 0 267.442 2.394 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1CCc1cscn1 ZINC000086265601 179262111 /nfs/dbraw/zinc/26/21/11/179262111.db2.gz VGENBVSHKUIGPB-DGCLKSJQSA-N 1 0 267.442 2.394 10 0 CEAERO [NH3+]C[C@H](Nc1nc(Br)cs1)C1CC1 ZINC000086290975 179265226 /nfs/dbraw/zinc/26/52/26/179265226.db2.gz WWDWDLDIIVVZSG-LURJTMIESA-N 1 0 262.176 2.055 10 0 CEAERO Cc1noc(CN2CCC[NH2+][C@@H](C3CCCCC3)C2)n1 ZINC000086292701 179266201 /nfs/dbraw/zinc/26/62/01/179266201.db2.gz IVDBWBTXKUVHEC-CQSZACIVSA-N 1 0 278.400 2.122 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1Oc1nc(Br)cs1 ZINC000086291779 179266839 /nfs/dbraw/zinc/26/68/39/179266839.db2.gz MKPMKPQGRDYNLY-RQJHMYQMSA-N 1 0 277.187 2.412 10 0 CEAERO CC(C)(C)[C@@H]1CN(CCc2nccs2)CCC[NH2+]1 ZINC000086296854 179268405 /nfs/dbraw/zinc/26/84/05/179268405.db2.gz HBVWXUYXKQMRAS-LBPRGKRZSA-N 1 0 267.442 2.396 10 0 CEAERO C[C@H]([NH3+])c1ccc(NC(=O)c2ccncc2F)cc1 ZINC000086316282 179269683 /nfs/dbraw/zinc/26/96/83/179269683.db2.gz ACJROTWVEGZZIB-VIFPVBQESA-N 1 0 259.284 2.493 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](Oc2nc(Br)cs2)C1 ZINC000086408378 179285995 /nfs/dbraw/zinc/28/59/95/179285995.db2.gz LJGOLIYELWJDOY-PHDIDXHHSA-N 1 0 263.160 2.164 10 0 CEAERO CN(C[C@@H]1CC[N@H+](C)C1)c1nc2c(s1)CCCC2=O ZINC000086441816 179294001 /nfs/dbraw/zinc/29/40/01/179294001.db2.gz VPLXKAOBBNEGOD-SNVBAGLBSA-N 1 0 279.409 2.050 10 0 CEAERO C[NH2+][C@@H]1CCCc2sc(N3CCSCC3)nc21 ZINC000086442377 179294009 /nfs/dbraw/zinc/29/40/09/179294009.db2.gz KSJMPISIMAOAOL-SECBINFHSA-N 1 0 269.439 2.293 10 0 CEAERO CC[C@@H]1CN(C(=O)c2n[nH]c3ccccc32)[C@H](CC)C[NH2+]1 ZINC000086446313 179294522 /nfs/dbraw/zinc/29/45/22/179294522.db2.gz XWWIRKGPNZOBBR-VXGBXAGGSA-N 1 0 286.379 2.166 10 0 CEAERO CC[C@@H]1CN(C(=O)Cc2ccsc2)[C@@H](CC)C[NH2+]1 ZINC000086448212 179295359 /nfs/dbraw/zinc/29/53/59/179295359.db2.gz WRFZKKXPBJERCS-OLZOCXBDSA-N 1 0 266.410 2.280 10 0 CEAERO CC[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)[C@@H](CC)C[NH2+]1 ZINC000086447296 179295498 /nfs/dbraw/zinc/29/54/98/179295498.db2.gz DLYRDPVVYBKVBX-STQMWFEESA-N 1 0 290.363 2.018 10 0 CEAERO CC[C@H]1C[NH+]=C(N)N1c1ccccc1Br ZINC000086474537 179300365 /nfs/dbraw/zinc/30/03/65/179300365.db2.gz CEIUOKBGYJLXCL-QMMMGPOBSA-N 1 0 268.158 2.362 10 0 CEAERO CC[NH2+][C@H](C)Cc1nc([C@@H]2Cc3ccccc32)no1 ZINC000086486451 179301828 /nfs/dbraw/zinc/30/18/28/179301828.db2.gz AXDSCOKVWIGUAZ-ZWNOBZJWSA-N 1 0 257.337 2.298 10 0 CEAERO Cn1nc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)c2ccccc21 ZINC000086485856 179301832 /nfs/dbraw/zinc/30/18/32/179301832.db2.gz KDRWCCQDFBKCRX-LRDDRELGSA-N 1 0 273.380 2.214 10 0 CEAERO C[NH2+][C@H](C)[C@H](C)c1nc([C@@H]2Cc3ccccc32)no1 ZINC000086492087 179302699 /nfs/dbraw/zinc/30/26/99/179302699.db2.gz ZXJBECQHNOYTAE-OPQQBVKSSA-N 1 0 257.337 2.469 10 0 CEAERO CSc1cc2c(cc1C[NH2+]C1CCOCC1)OCCO2 ZINC000086506348 179303137 /nfs/dbraw/zinc/30/31/37/179303137.db2.gz CTACABTWHMLXQF-UHFFFAOYSA-N 1 0 295.404 2.448 10 0 CEAERO COC(OC)[C@@H]([NH3+])Cc1cc(F)ccc1Br ZINC000086451663 179296286 /nfs/dbraw/zinc/29/62/86/179296286.db2.gz ONBYPPDOZSLNLO-JTQLQIEISA-N 1 0 292.148 2.077 10 0 CEAERO [NH3+]C[C@H]1CCCCN1C(=O)C1C2CC3CC(C2)CC1C3 ZINC000130091085 365923817 /nfs/dbraw/zinc/92/38/17/365923817.db2.gz OZLREIYDBNGCNA-BAPHQMLMSA-N 1 0 276.424 2.399 10 0 CEAERO OC1(c2cscc2Br)CC[NH2+]CC1 ZINC000086553654 179307339 /nfs/dbraw/zinc/30/73/39/179307339.db2.gz QOMJRIOVJRZFIX-UHFFFAOYSA-N 1 0 262.172 2.082 10 0 CEAERO COCCN(CCC[NH3+])C(=O)C1CCCCCCC1 ZINC000086577555 179308509 /nfs/dbraw/zinc/30/85/09/179308509.db2.gz GNHFRRKWYPAACX-UHFFFAOYSA-N 1 0 270.417 2.171 10 0 CEAERO C/C(=C\CC[NH3+])Cc1c(Br)c(C)nn1C ZINC000086570683 179308776 /nfs/dbraw/zinc/30/87/76/179308776.db2.gz CDPGFOCCINWVSX-VMPITWQZSA-N 1 0 272.190 2.329 10 0 CEAERO Cc1cnc([C@@H](C)NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)o1 ZINC000231744229 539580850 /nfs/dbraw/zinc/58/08/50/539580850.db2.gz DJYZYOUACBIGGO-ODWCKFRGSA-N 1 0 277.368 2.081 10 0 CEAERO COc1ccc([C@H](C[NH3+])N2CCSCC2)cc1Cl ZINC000086586395 179310034 /nfs/dbraw/zinc/31/00/34/179310034.db2.gz NEUIBLKONABOGK-LBPRGKRZSA-N 1 0 286.828 2.397 10 0 CEAERO Cc1nn(C)c(C)c1-c1nc2cc(C[NH3+])ccc2n1C ZINC000086637696 179314993 /nfs/dbraw/zinc/31/49/93/179314993.db2.gz BAYUBVXZJMEXEU-UHFFFAOYSA-N 1 0 269.352 2.049 10 0 CEAERO COc1ccc([C@H]2C[NH2+]C[C@@H](C)CO2)c(OC)c1 ZINC000086633882 179315235 /nfs/dbraw/zinc/31/52/35/179315235.db2.gz ZWJLVBLWKVHQQK-QMTHXVAHSA-N 1 0 251.326 2.001 10 0 CEAERO CC(C)Cn1c2ccc(C[NH3+])cc2nc1[C@H]1COCCO1 ZINC000086641725 179315309 /nfs/dbraw/zinc/31/53/09/179315309.db2.gz ADRKGHQNBJZZJJ-OAHLLOKOSA-N 1 0 289.379 2.239 10 0 CEAERO CS(=O)(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCc2occc21 ZINC000086672020 179318033 /nfs/dbraw/zinc/31/80/33/179318033.db2.gz NDSXQCQLAUOMKN-YRGRVCCFSA-N 1 0 283.393 2.212 10 0 CEAERO CS(=O)(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000086676160 179319133 /nfs/dbraw/zinc/31/91/33/179319133.db2.gz GYKFYBBJFOZAPP-ZJUUUORDSA-N 1 0 293.841 2.457 10 0 CEAERO Cc1cccc(CC[NH2+][C@H]2CCC[C@@H]2S(C)(=O)=O)c1 ZINC000086675837 179319454 /nfs/dbraw/zinc/31/94/54/179319454.db2.gz DGHKEQNESBOHND-GJZGRUSLSA-N 1 0 281.421 2.093 10 0 CEAERO CC[C@H](C)[C@@H](C)[NH+]1CCC([N@@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000086776191 179327760 /nfs/dbraw/zinc/32/77/60/179327760.db2.gz CQJLTHNLAPYDFA-GZBFAFLISA-N 1 0 282.428 2.434 10 0 CEAERO CN(Cc1cnc(Cl)s1)[C@@H]1CCC[N@H+](C)C1 ZINC000086776821 179328703 /nfs/dbraw/zinc/32/87/03/179328703.db2.gz QZOIMPHLHFTRRR-SECBINFHSA-N 1 0 259.806 2.323 10 0 CEAERO CCC1CCC(C[NH3+])(O[C@@H](C)C(=O)N2CCCC2)CC1 ZINC000086713268 179322688 /nfs/dbraw/zinc/32/26/88/179322688.db2.gz IMBRECXVTWYRKF-HLIUYOAVSA-N 1 0 282.428 2.312 10 0 CEAERO CC(C)C1CCC(C[NH3+])(O[C@@H](C)C(=O)NC2CC2)CC1 ZINC000086713556 179322693 /nfs/dbraw/zinc/32/26/93/179322693.db2.gz ITUGEGQMZDYPJF-FUJMWEONSA-N 1 0 282.428 2.214 10 0 CEAERO C[C@H]1CCC[C@](C[NH3+])(OCCOCC(F)(F)F)C1 ZINC000086712511 179322839 /nfs/dbraw/zinc/32/28/39/179322839.db2.gz YPUDACUAISQKDY-QWRGUYRKSA-N 1 0 269.307 2.490 10 0 CEAERO CCCC1CCC(C[NH3+])(O[C@@H]2CCCCNC2=O)CC1 ZINC000086713396 179322872 /nfs/dbraw/zinc/32/28/72/179322872.db2.gz SBZACWRVWZKBLK-NPCAHTBFSA-N 1 0 282.428 2.360 10 0 CEAERO CC(C)[NH+]1CCC([N@@H+]2CCC[C@](C)(C(=O)[O-])C2)CC1 ZINC000086783635 179331808 /nfs/dbraw/zinc/33/18/08/179331808.db2.gz DYKCOKVINYLEOX-HNNXBMFYSA-N 1 0 268.401 2.046 10 0 CEAERO CC(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000086787775 179332930 /nfs/dbraw/zinc/33/29/30/179332930.db2.gz KLVQGPXCPTUUAG-GXTWGEPZSA-N 1 0 268.401 2.092 10 0 CEAERO Cc1nccn1-c1ncccc1N[C@@H]1CCC[N@@H+](C)CC1 ZINC000086818663 179347503 /nfs/dbraw/zinc/34/75/03/179347503.db2.gz HPHMGXLFVHCRAE-CQSZACIVSA-N 1 0 285.395 2.472 10 0 CEAERO C[N@@H+]1CCC[C@@H](Nc2ccc3oc(=O)[nH]c3c2)CC1 ZINC000086818438 179347709 /nfs/dbraw/zinc/34/77/09/179347709.db2.gz YOCNYDQIRGLBRO-SNVBAGLBSA-N 1 0 261.325 2.017 10 0 CEAERO C[C@H](N[C@H]1CCC[N@H+](C)CC1)c1nnc2n1CCCCC2 ZINC000086818507 179346464 /nfs/dbraw/zinc/34/64/64/179346464.db2.gz YWHKQSWXEAEHRO-KBPBESRZSA-N 1 0 291.443 2.139 10 0 CEAERO COC(=O)[C@@]1(NC2CCCC2)CCC[N@@H+](C(C)C)CC1 ZINC000086850373 179357859 /nfs/dbraw/zinc/35/78/59/179357859.db2.gz DTHGORVQKDLMQT-MRXNPFEDSA-N 1 0 282.428 2.325 10 0 CEAERO C[N@@H+]1CCC[C@H]([NH+]2CCc3sccc3[C@@H]2C(=O)[O-])CC1 ZINC000086834619 179350111 /nfs/dbraw/zinc/35/01/11/179350111.db2.gz BXHUZYBBLQOXIU-SMDDNHRTSA-N 1 0 294.420 2.216 10 0 CEAERO CCOC(=O)[C@@]1(NC2CCCCC2)CCC[N@H+](C)CC1 ZINC000086833409 179350188 /nfs/dbraw/zinc/35/01/88/179350188.db2.gz QQGKZEBRWGFQQF-MRXNPFEDSA-N 1 0 282.428 2.326 10 0 CEAERO C[N@@H+]1CCC[C@](N)(c2nc3c(s2)CCCC3)CC1 ZINC000086833630 179350537 /nfs/dbraw/zinc/35/05/37/179350537.db2.gz SGKSHNLITINQCR-CQSZACIVSA-N 1 0 265.426 2.292 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2ccc(C(=O)NC)cc2)CC1 ZINC000086838083 179351441 /nfs/dbraw/zinc/35/14/41/179351441.db2.gz TXSSIOBBHQBCTQ-CQSZACIVSA-N 1 0 275.396 2.333 10 0 CEAERO CC[N@@H+]1CCC[C@H](Nc2ccc(C(N)=O)cc2C)CC1 ZINC000086838659 179351891 /nfs/dbraw/zinc/35/18/91/179351891.db2.gz KGBBDIXKOCPZQO-AWEZNQCLSA-N 1 0 275.396 2.380 10 0 CEAERO Cc1ccc([C@@H](C)[NH2+]CCc2nncn2C)cc1C ZINC000104056404 185887165 /nfs/dbraw/zinc/88/71/65/185887165.db2.gz OSXABENIUPOWKC-CYBMUJFWSA-N 1 0 258.369 2.325 10 0 CEAERO COC(=O)[C@@H](C(C)C)[C@]1(O)CCC[N@@H+](C(C)C)CC1 ZINC000086868334 179360296 /nfs/dbraw/zinc/36/02/96/179360296.db2.gz YBUSPPUAYIJEJY-HIFRSBDPSA-N 1 0 271.401 2.057 10 0 CEAERO CCC[N@@H+]1CCC[C@](O)(C(C)(C)C(=O)OCC)CC1 ZINC000086868370 179361013 /nfs/dbraw/zinc/36/10/13/179361013.db2.gz WWKAPGJJPKBBHY-OAHLLOKOSA-N 1 0 271.401 2.203 10 0 CEAERO CC[C@@H](C(=O)[O-])[N@H+](C)[C@@H]1CCC[NH+](C(C)C)CC1 ZINC000086869232 179362071 /nfs/dbraw/zinc/36/20/71/179362071.db2.gz FSTKRJSZPVPFPA-OLZOCXBDSA-N 1 0 256.390 2.044 10 0 CEAERO CCCOCc1noc([C@H](C(C)C)[C@H](C)[NH2+]C)n1 ZINC000104066053 185890758 /nfs/dbraw/zinc/89/07/58/185890758.db2.gz NKTMTPNPYXXQKW-CMPLNLGQSA-N 1 0 255.362 2.344 10 0 CEAERO CCC[N@@H+]1CCC[C@H]([NH+](CC)[C@@H](C)CC(=O)[O-])CC1 ZINC000086868967 179362969 /nfs/dbraw/zinc/36/29/69/179362969.db2.gz QGMVENKPAOZOBJ-KBPBESRZSA-N 1 0 270.417 2.436 10 0 CEAERO CCC[N@@H+]1CCC[C@H]([NH+]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000086868591 179362998 /nfs/dbraw/zinc/36/29/98/179362998.db2.gz WSEZIYFVMMEBDH-KBPBESRZSA-N 1 0 268.401 2.048 10 0 CEAERO CC[NH2+][C@H](CCCS(=O)(=O)CC)Cc1ccccc1 ZINC000086978712 179372500 /nfs/dbraw/zinc/37/25/00/179372500.db2.gz MWLVIKSCMUAVRY-OAHLLOKOSA-N 1 0 283.437 2.422 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH3+])c1ccc(F)c(F)c1 ZINC000086978595 179372668 /nfs/dbraw/zinc/37/26/68/179372668.db2.gz WALIIKGHFCYDDF-GFCCVEGCSA-N 1 0 277.336 2.180 10 0 CEAERO CCC[NH2+][C@@H](CCCS(=O)(=O)CC)c1ccccn1 ZINC000086978744 179372796 /nfs/dbraw/zinc/37/27/96/179372796.db2.gz UGEVATAAZVRVOD-AWEZNQCLSA-N 1 0 284.425 2.337 10 0 CEAERO CCC1(C)CC[NH+]([C@@]2(CN)CCCOCC2)CC1 ZINC000086875764 179365328 /nfs/dbraw/zinc/36/53/28/179365328.db2.gz HPZLKBTVMMFVED-HNNXBMFYSA-N 1 0 254.418 2.397 10 0 CEAERO CN(c1ccc(F)cc1)[C@]1(C[NH3+])CCCOCC1 ZINC000086875519 179365687 /nfs/dbraw/zinc/36/56/87/179365687.db2.gz CXLGVPZHHHPYSF-CQSZACIVSA-N 1 0 252.333 2.160 10 0 CEAERO COCC(=O)N1CCC([NH2+][C@@H]2CCC[C@@H](C)CC2)CC1 ZINC000086887307 179366443 /nfs/dbraw/zinc/36/64/43/179366443.db2.gz QRLXLDLGLLDTEO-ZIAGYGMSSA-N 1 0 282.428 2.182 10 0 CEAERO C[C@H]1CN(Cc2ccc(Br)o2)CC[C@@H]1[NH3+] ZINC000086884222 179366470 /nfs/dbraw/zinc/36/64/70/179366470.db2.gz ZZSMPRBWZBEBLS-WPRPVWTQSA-N 1 0 273.174 2.211 10 0 CEAERO CC[C@H]1CCC[C@](NCC[NH+](C)C)(C(=O)OC)CC1 ZINC000086915918 179367156 /nfs/dbraw/zinc/36/71/56/179367156.db2.gz SIGNFZZXIDGTPK-DZGCQCFKSA-N 1 0 270.417 2.040 10 0 CEAERO CCC[C@H]1CCC[C@@](C[NH3+])(N2CCOCC2)CC1 ZINC000086947843 179368535 /nfs/dbraw/zinc/36/85/35/179368535.db2.gz NUVPDTHTVAGPPP-LSDHHAIUSA-N 1 0 254.418 2.397 10 0 CEAERO CC(C)[C@H]1CCC[C@](C[NH3+])(N2CCn3cnnc3C2)CC1 ZINC000086949094 179368668 /nfs/dbraw/zinc/36/86/68/179368668.db2.gz MVZSLIWQGOGAJQ-HOCLYGCPSA-N 1 0 291.443 2.028 10 0 CEAERO CC(C)[C@@H]1CCC[C@@]([NH2+]C[C@@H]2CCCO2)(C(N)=O)CC1 ZINC000086949353 179368921 /nfs/dbraw/zinc/36/89/21/179368921.db2.gz YDZGVYKHVZZNTR-YCPHGPKFSA-N 1 0 282.428 2.215 10 0 CEAERO COCCCc1noc([C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)n1 ZINC000086962963 179369282 /nfs/dbraw/zinc/36/92/82/179369282.db2.gz WYPAOXKEEGZCBY-WOPDTQHZSA-N 1 0 265.357 2.242 10 0 CEAERO COCCCc1noc(CC2(C[NH3+])CCCCC2)n1 ZINC000086963194 179369576 /nfs/dbraw/zinc/36/95/76/179369576.db2.gz URRAUUHCYBXJPN-UHFFFAOYSA-N 1 0 267.373 2.100 10 0 CEAERO COCCCc1noc(C2([NH3+])CCCCCC2)n1 ZINC000086962987 179369645 /nfs/dbraw/zinc/36/96/45/179369645.db2.gz JYLPOEHQFIHNCQ-UHFFFAOYSA-N 1 0 253.346 2.157 10 0 CEAERO CC[NH2+][C@@H]1CC[C@@H](CCCS(=O)(=O)CC)[C@@H]1C ZINC000086981863 179373864 /nfs/dbraw/zinc/37/38/64/179373864.db2.gz UHFQBSAGZXRFAJ-YNEHKIRRSA-N 1 0 261.431 2.226 10 0 CEAERO C[NH2+][C@@H](CCCOC)Cc1ncc(C)c(OC)c1C ZINC000086969900 179370555 /nfs/dbraw/zinc/37/05/55/179370555.db2.gz QVILHIMATBFKJP-ZDUSSCGKSA-N 1 0 266.385 2.264 10 0 CEAERO COCCCc1nc(C)c(CC[NH2+]CC(C)C)c(C)n1 ZINC000086971577 179370957 /nfs/dbraw/zinc/37/09/57/179370957.db2.gz ZANQSPFUKCPOKU-UHFFFAOYSA-N 1 0 279.428 2.461 10 0 CEAERO CC[NH2+]Cc1cc(C)ccc1OCCCS(=O)(=O)CC ZINC000086973094 179371475 /nfs/dbraw/zinc/37/14/75/179371475.db2.gz DKKPEWWDBQJQAB-UHFFFAOYSA-N 1 0 299.436 2.308 10 0 CEAERO CCS(=O)(=O)CCCOc1ccccc1[C@H](C)[NH2+]C ZINC000086972819 179371516 /nfs/dbraw/zinc/37/15/16/179371516.db2.gz FOXFNJZDCCVNBF-LBPRGKRZSA-N 1 0 285.409 2.171 10 0 CEAERO Cc1nc([C@H]2CSCCS2)sc1CC[NH3+] ZINC000086985338 179374073 /nfs/dbraw/zinc/37/40/73/179374073.db2.gz UQAGBBRBYPNIKJ-SECBINFHSA-N 1 0 260.453 2.474 10 0 CEAERO CCC(O)(CC)C[NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000087015550 179379954 /nfs/dbraw/zinc/37/99/54/179379954.db2.gz VQRLRLXOMISGJC-JTQLQIEISA-N 1 0 277.368 2.058 10 0 CEAERO [NH3+]CCc1cn(Cc2sccc2Br)cn1 ZINC000087016523 179380480 /nfs/dbraw/zinc/38/04/80/179380480.db2.gz QWCBLNHWPBAWIM-UHFFFAOYSA-N 1 0 286.198 2.257 10 0 CEAERO Cc1cc(C(=O)NC(C)(C)C[NH3+])sc1Br ZINC000087018508 179381053 /nfs/dbraw/zinc/38/10/53/179381053.db2.gz ZLFGPZFKDIOMTH-UHFFFAOYSA-N 1 0 291.214 2.286 10 0 CEAERO CCO[C@@H]1CCCN([C@@H](C[NH3+])c2ccc(OC)c(F)c2)C1 ZINC000086991906 179375495 /nfs/dbraw/zinc/37/54/95/179375495.db2.gz SAGURROAAZEFGL-HIFRSBDPSA-N 1 0 296.386 2.335 10 0 CEAERO CC[NH2+]Cc1sc([C@H]2CSCCO2)nc1C ZINC000086990266 179375531 /nfs/dbraw/zinc/37/55/31/179375531.db2.gz KZLITRRHTNWEBK-SECBINFHSA-N 1 0 258.412 2.366 10 0 CEAERO CCC[NH2+]C[C@H]1OCCN(C)[C@@H]1c1ccc(OC)c(F)c1 ZINC000086995005 179376239 /nfs/dbraw/zinc/37/62/39/179376239.db2.gz DNWCGMJODRPETA-HZPDHXFCSA-N 1 0 296.386 2.206 10 0 CEAERO C[C@@H]1CCC[C@@H](C[NH3+])N1C(=O)c1c(F)cc(F)cc1F ZINC000086998025 179377427 /nfs/dbraw/zinc/37/74/27/179377427.db2.gz WLJVJUKJPDEEPS-SCZZXKLOSA-N 1 0 286.297 2.446 10 0 CEAERO C[C@@H]1CC[C@@H](C[NH3+])CN1C(=O)c1c(F)cc(F)cc1F ZINC000086998048 179377804 /nfs/dbraw/zinc/37/78/04/179377804.db2.gz KTMFJWXMUDIHMJ-BDAKNGLRSA-N 1 0 286.297 2.303 10 0 CEAERO CCC1CCC(O)(C[NH2+][C@H]2CCCOCC2)CC1 ZINC000087061574 179389227 /nfs/dbraw/zinc/38/92/27/179389227.db2.gz OLRCCHPCLHZBPK-SLTAFYQDSA-N 1 0 255.402 2.476 10 0 CEAERO CC1CCC(O)(C[NH2+]C[C@@H](O)c2ccccc2)CC1 ZINC000087061833 179389330 /nfs/dbraw/zinc/38/93/30/179389330.db2.gz UBUPUHCGOMGDKM-OGVSOVDVSA-N 1 0 263.381 2.251 10 0 CEAERO [NH3+]C[C@H]1CC[C@@H](COCc2ccc(Cl)cc2)O1 ZINC000087096160 179394276 /nfs/dbraw/zinc/39/42/76/179394276.db2.gz ZEKFDLNLGSCYFS-OLZOCXBDSA-N 1 0 255.745 2.363 10 0 CEAERO CC[NH2+][C@H](CSC(C)(C)C)Cc1cnn(C)c1 ZINC000087118441 179395187 /nfs/dbraw/zinc/39/51/87/179395187.db2.gz MBMZXZRIJABICF-LBPRGKRZSA-N 1 0 255.431 2.472 10 0 CEAERO COc1cc(N[C@H]2CCC[NH2+]CC2)cc(OC)c1 ZINC000128849877 187393867 /nfs/dbraw/zinc/39/38/67/187393867.db2.gz ZWGMJGMDASCPRT-NSHDSACASA-N 1 0 250.342 2.258 10 0 CEAERO CC1CCC(O)(C[NH2+]C[C@H](O)c2ccccc2F)CC1 ZINC000087062570 179389631 /nfs/dbraw/zinc/38/96/31/179389631.db2.gz KLWWNTSDCRXZSR-NRAUKZCXSA-N 1 0 281.371 2.390 10 0 CEAERO CCC1CCC(O)(CNC(=O)CC[NH2+]C(C)(C)C)CC1 ZINC000087070244 179391414 /nfs/dbraw/zinc/39/14/14/179391414.db2.gz AMXZMGKWBQRILE-UHFFFAOYSA-N 1 0 284.444 2.212 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)OCc1ccc(Cl)cc1 ZINC000087090927 179394110 /nfs/dbraw/zinc/39/41/10/179394110.db2.gz MIBXVRYWZUISTA-SKDRFNHKSA-N 1 0 253.729 2.239 10 0 CEAERO CC[NH2+][C@H](COC)Cc1nc(CSCC(C)C)no1 ZINC000087125996 179396498 /nfs/dbraw/zinc/39/64/98/179396498.db2.gz GBARRSMQQMTUDH-NSHDSACASA-N 1 0 287.429 2.126 10 0 CEAERO CCC[NH2+]Cc1cc(=O)[nH]c(CS[C@@H](C)CC)n1 ZINC000087141582 179397200 /nfs/dbraw/zinc/39/72/00/179397200.db2.gz ULOQLXJIRJRIFZ-JTQLQIEISA-N 1 0 269.414 2.301 10 0 CEAERO Cn1cc(C[C@H]([NH3+])CSC2CCCCC2)cn1 ZINC000087149228 179397321 /nfs/dbraw/zinc/39/73/21/179397321.db2.gz SNNRHUXXDPJZRJ-LBPRGKRZSA-N 1 0 253.415 2.356 10 0 CEAERO Nc1cc[nH+]cc1C[C@@H](O)CSc1ccccc1 ZINC000087161894 179398146 /nfs/dbraw/zinc/39/81/46/179398146.db2.gz GUZAGEVTAHSGKC-GFCCVEGCSA-N 1 0 260.362 2.360 10 0 CEAERO C[N@@H+]1CC[C@@](O)(Cc2cccc(C(F)(F)F)c2)C1 ZINC000087166268 179398761 /nfs/dbraw/zinc/39/87/61/179398761.db2.gz ZIQYCNCZWLFGCW-GFCCVEGCSA-N 1 0 259.271 2.315 10 0 CEAERO CCOC(=O)N1CCC([NH2+]CCC[C@H]2CCCO2)CC1 ZINC000087247196 179405292 /nfs/dbraw/zinc/40/52/92/179405292.db2.gz RTQKUPIGFBANOQ-AWEZNQCLSA-N 1 0 284.400 2.156 10 0 CEAERO CC(C)Oc1cc(OCC[NH+](C)C)c(N)cc1F ZINC000104137720 185906585 /nfs/dbraw/zinc/90/65/85/185906585.db2.gz RRKVEFJAZVLBNU-UHFFFAOYSA-N 1 0 256.321 2.136 10 0 CEAERO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccccc1C(C)(C)C ZINC000067173407 362903284 /nfs/dbraw/zinc/90/32/84/362903284.db2.gz FBCWKGCMBWNQSW-OLZOCXBDSA-N 1 0 261.365 2.460 10 0 CEAERO CC(C)C[NH2+]CCc1ncc([C@@H]2CCCOC2)o1 ZINC000087346110 179414947 /nfs/dbraw/zinc/41/49/47/179414947.db2.gz RSHFISZLFXIYTR-GFCCVEGCSA-N 1 0 252.358 2.357 10 0 CEAERO [NH3+]C[C@@H](c1ccccc1Cl)[C@H](O)C1CCOCC1 ZINC000087347926 179415004 /nfs/dbraw/zinc/41/50/04/179415004.db2.gz WIEALSGCGFRQDM-GXTWGEPZSA-N 1 0 269.772 2.170 10 0 CEAERO CCC[C@@H](C[NH3+])NC(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000087387066 179418992 /nfs/dbraw/zinc/41/89/92/179418992.db2.gz NNENTTQQKYMDMO-YFKPBYRVSA-N 1 0 296.239 2.239 10 0 CEAERO CCC1CCC(O)(C[NH2+]CC2(O)CCCC2)CC1 ZINC000087463106 179429074 /nfs/dbraw/zinc/42/90/74/179429074.db2.gz ARPJZFGSKHPJFM-UHFFFAOYSA-N 1 0 255.402 2.212 10 0 CEAERO CCc1nn(C)cc1CN1C[C@H]2CCC[N@H+]2C[C@H]1CC ZINC000248417495 539634603 /nfs/dbraw/zinc/63/46/03/539634603.db2.gz RHGHWPQDJCQBBH-HUUCEWRRSA-N 1 0 276.428 2.041 10 0 CEAERO CCc1nsc(N[C@@]2(C[NH3+])CCC[C@H](C)C2)n1 ZINC000087644457 179463374 /nfs/dbraw/zinc/46/33/74/179463374.db2.gz WBYYNNVWVXXDJQ-CABZTGNLSA-N 1 0 254.403 2.420 10 0 CEAERO Cc1c(NC(=O)[C@H](C)CCC[C@@H](C)[NH3+])cccc1C(N)=O ZINC000087693650 179471372 /nfs/dbraw/zinc/47/13/72/179471372.db2.gz PBGDOATZZUFIKH-GHMZBOCLSA-N 1 0 291.395 2.186 10 0 CEAERO C[C@H]([NH3+])CCC[C@H](C)C(=O)NC[C@@H](c1ccco1)N(C)C ZINC000087698913 179473021 /nfs/dbraw/zinc/47/30/21/179473021.db2.gz CJGXRAMMMYZREH-IHRRRGAJSA-N 1 0 295.427 2.152 10 0 CEAERO Cc1nc(CC(F)(F)F)nc(C)c1C[C@@H](C)C[NH3+] ZINC000087706828 179473843 /nfs/dbraw/zinc/47/38/43/179473843.db2.gz DCYSQSIKIYXIJD-SSDOTTSWSA-N 1 0 261.291 2.336 10 0 CEAERO COc1ccc(CCOCC[NH2+]C(C)C)c(OC)c1 ZINC000087730682 179479383 /nfs/dbraw/zinc/47/93/83/179479383.db2.gz DUGHUKDZDBKWSZ-UHFFFAOYSA-N 1 0 267.369 2.261 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)Nc1ccc(C(=O)OC(C)C)cc1 ZINC000087517993 179439288 /nfs/dbraw/zinc/43/92/88/179439288.db2.gz BOYROOVRTFFPCB-NSHDSACASA-N 1 0 278.352 2.175 10 0 CEAERO CC1CCC([NH3+])(c2nc([C@H]3CCCOC3)no2)CC1 ZINC000087813035 179490321 /nfs/dbraw/zinc/49/03/21/179490321.db2.gz FEDKDIYJOLNQJW-CVZZAPKMSA-N 1 0 265.357 2.328 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)N1CCC[C@@H]1c1cccs1 ZINC000087524352 179440710 /nfs/dbraw/zinc/44/07/10/179440710.db2.gz JIPPCSWBRZZDTH-WDEREUQCSA-N 1 0 252.383 2.397 10 0 CEAERO CC[NH2+][C@](C)(CC(=O)OCC)c1ccc(OC)c(OC)c1 ZINC000087548775 179444378 /nfs/dbraw/zinc/44/43/78/179444378.db2.gz QTCIVPPKQLPZEA-MRXNPFEDSA-N 1 0 295.379 2.482 10 0 CEAERO CCOc1cc2c(cc1[C@@H](CC(=O)OC)[NH2+]C)O[C@H](C)C2 ZINC000087552872 179445217 /nfs/dbraw/zinc/44/52/17/179445217.db2.gz ODMNQMKVAWOVAP-ZWNOBZJWSA-N 1 0 293.363 2.232 10 0 CEAERO CCC[NH2+][C@@](C)(CC(=O)OC)c1ccc2c(c1)OCCO2 ZINC000087552150 179445608 /nfs/dbraw/zinc/44/56/08/179445608.db2.gz SSNVYLPIYZBXKA-INIZCTEOSA-N 1 0 293.363 2.236 10 0 CEAERO CC[NH2+][C@](C)(CC(=O)OC)c1ccccc1OC ZINC000087553802 179446351 /nfs/dbraw/zinc/44/63/51/179446351.db2.gz JTBPEVUECZAADJ-CQSZACIVSA-N 1 0 251.326 2.083 10 0 CEAERO CC(=O)Nc1ccc([C@@H]2CCCCN(CC[NH3+])C2)cc1 ZINC000616627398 348539300 /nfs/dbraw/zinc/53/93/00/348539300.db2.gz ATUBLEDQMRFZQM-OAHLLOKOSA-N 1 0 275.396 2.173 10 0 CEAERO COc1ccc(C[C@](C)(CN)[NH2+]C2CCCC2)cc1OC ZINC000087911888 179519401 /nfs/dbraw/zinc/51/94/01/179519401.db2.gz ZVELDNJDDOPICI-QGZVFWFLSA-N 1 0 292.423 2.496 10 0 CEAERO [NH3+]CCN1CCCC[C@@H](c2cccc3nnccc32)C1 ZINC000616631186 348541274 /nfs/dbraw/zinc/54/12/74/348541274.db2.gz YDJFOJQLECYQRR-CYBMUJFWSA-N 1 0 270.380 2.158 10 0 CEAERO OCc1cccc([C@@H]2C[N@H+](Cc3ccccc3)CCN2)c1 ZINC000616631661 348541393 /nfs/dbraw/zinc/54/13/93/348541393.db2.gz DRTZTSBLORITNJ-SFHVURJKSA-N 1 0 282.387 2.325 10 0 CEAERO CCOC(=O)N1CC[NH2+]C[C@@H]1c1cccc2cccnc21 ZINC000616636679 348543179 /nfs/dbraw/zinc/54/31/79/348543179.db2.gz ANTQKILEYRIJAB-CQSZACIVSA-N 1 0 285.347 2.338 10 0 CEAERO CC(C)(C)CCOc1cc(NN)[nH+]c(C2CC2)n1 ZINC000087917075 179522345 /nfs/dbraw/zinc/52/23/45/179522345.db2.gz ZAWKYGBERJFNEV-UHFFFAOYSA-N 1 0 250.346 2.455 10 0 CEAERO CC(C)(C)[N@@H+]1CCO[C@H](c2ccc(CCO)cc2)C1 ZINC000616648089 348546970 /nfs/dbraw/zinc/54/69/70/348546970.db2.gz OQSVQDOGOKGBEL-HNNXBMFYSA-N 1 0 263.381 2.393 10 0 CEAERO [NH3+]C[C@@]1(NCC(F)(F)F)CCC[C@@H](C2CC2)C1 ZINC000087929703 179525241 /nfs/dbraw/zinc/52/52/41/179525241.db2.gz BOQNDWVVSDVUBM-GHMZBOCLSA-N 1 0 250.308 2.436 10 0 CEAERO CCC[NH2+][C@H](Cc1cccnc1N)[C@@H]1CCCOC1 ZINC000087815204 179491320 /nfs/dbraw/zinc/49/13/20/179491320.db2.gz VCYCBQDUDSKMLT-ZIAGYGMSSA-N 1 0 263.385 2.001 10 0 CEAERO NNc1cc(Nc2cc(Br)ccc2F)nc[nH+]1 ZINC000087854064 179501294 /nfs/dbraw/zinc/50/12/94/179501294.db2.gz PCLCNZLEEMYZJV-UHFFFAOYSA-N 1 0 298.119 2.407 10 0 CEAERO CC[NH2+][C@H](Cc1ccc(Cl)cc1)[C@@H]1COCCO1 ZINC000087857967 179502292 /nfs/dbraw/zinc/50/22/92/179502292.db2.gz UCHDKLYNMTXHIQ-KGLIPLIRSA-N 1 0 269.772 2.276 10 0 CEAERO CCCOc1ccc([C@H]([NH2+]C)[C@H]2COCCO2)cc1 ZINC000087857788 179502495 /nfs/dbraw/zinc/50/24/95/179502495.db2.gz SXFGENUIOZWLDJ-CABCVRRESA-N 1 0 265.353 2.151 10 0 CEAERO C/C=C(\C)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000616569768 348523438 /nfs/dbraw/zinc/52/34/38/348523438.db2.gz KCEHJFKHHGFPOW-JMBCATMQSA-N 1 0 276.355 2.354 10 0 CEAERO O=C(N[C@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)C1CCC1 ZINC000616570126 348523672 /nfs/dbraw/zinc/52/36/72/348523672.db2.gz LYUMPTCDRRTXTL-CABCVRRESA-N 1 0 276.355 2.188 10 0 CEAERO Cc1ccc2c(c1Br)[C@H](CC[NH3+])C(=O)N2 ZINC000616569832 348523704 /nfs/dbraw/zinc/52/37/04/348523704.db2.gz NUKSVINJHCLBKQ-ZETCQYMHSA-N 1 0 269.142 2.142 10 0 CEAERO CC[C@@H]1CC[NH2+]C[C@H]1NC(=O)/C=C\c1ccccc1 ZINC000616572531 348524360 /nfs/dbraw/zinc/52/43/60/348524360.db2.gz WOOZNRTWWFSRDT-SFRZCGLPSA-N 1 0 258.365 2.204 10 0 CEAERO CC(C)[N@@H+]1CCO[C@@H](c2cccc(CCO)c2)CC1 ZINC000616595221 348528257 /nfs/dbraw/zinc/52/82/57/348528257.db2.gz UVZCEUFRVXSVHQ-MRXNPFEDSA-N 1 0 263.381 2.393 10 0 CEAERO c1ccc(C[N@@H+]2CCO[C@H](c3cccnn3)CC2)cc1 ZINC000616595557 348528336 /nfs/dbraw/zinc/52/83/36/348528336.db2.gz WQSNGMHAMIDZBW-INIZCTEOSA-N 1 0 269.348 2.440 10 0 CEAERO CC[N@@H+]1CCOCC[C@@H]1c1cccc2nnccc21 ZINC000616598156 348528904 /nfs/dbraw/zinc/52/89/04/348528904.db2.gz HGJWYZJKLVZWRZ-OAHLLOKOSA-N 1 0 257.337 2.413 10 0 CEAERO CC(=O)Nc1cccc([C@@H]2CCCC[N@H+](CCO)C2)c1 ZINC000616605923 348532387 /nfs/dbraw/zinc/53/23/87/348532387.db2.gz ZZNFDSGDJIOEJO-OAHLLOKOSA-N 1 0 276.380 2.207 10 0 CEAERO CC(=O)Nc1cccc([C@H]2CCCCN2CC[NH3+])c1 ZINC000616614655 348534678 /nfs/dbraw/zinc/53/46/78/348534678.db2.gz HDQAZWYTGXTMAY-OAHLLOKOSA-N 1 0 261.369 2.131 10 0 CEAERO OCC[N@@H+]1CCC[C@H](c2ccnc3ccccc32)C1 ZINC000616618151 348535859 /nfs/dbraw/zinc/53/58/59/348535859.db2.gz OSNZCZZEKSTBAP-ZDUSSCGKSA-N 1 0 256.349 2.407 10 0 CEAERO [NH3+]CCN1CCCC[C@H]1c1cccc2nnccc21 ZINC000616616712 348535935 /nfs/dbraw/zinc/53/59/35/348535935.db2.gz VHCFDWWNYCNQOB-HNNXBMFYSA-N 1 0 256.353 2.116 10 0 CEAERO [NH3+]CCN1CCC[C@H](c2cc3ccccc3cn2)C1 ZINC000616620700 348537344 /nfs/dbraw/zinc/53/73/44/348537344.db2.gz KLYBMFVHOFEEHA-HNNXBMFYSA-N 1 0 255.365 2.373 10 0 CEAERO CCc1c(NC[C@@H]2CCCCS2)nc[nH+]c1NN ZINC000087896210 179515995 /nfs/dbraw/zinc/51/59/95/179515995.db2.gz DPZUCYWJQQKRNK-VIFPVBQESA-N 1 0 267.402 2.022 10 0 CEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H](c2cnco2)C1 ZINC000616622015 348537884 /nfs/dbraw/zinc/53/78/84/348537884.db2.gz XYSRRJISTGAWOR-LBPRGKRZSA-N 1 0 295.383 2.379 10 0 CEAERO OCCc1ccc([C@@H]2CCCCC[N@H+]2CCO)cc1 ZINC000616625561 348538584 /nfs/dbraw/zinc/53/85/84/348538584.db2.gz QBSSGLBEFJJXMA-INIZCTEOSA-N 1 0 263.381 2.131 10 0 CEAERO CC[NH2+][C@H](Cc1cnn(C)c1)[C@H]1COc2ccccc2C1 ZINC000088021740 179536833 /nfs/dbraw/zinc/53/68/33/179536833.db2.gz JADZRMIXAPLDAA-HZPDHXFCSA-N 1 0 285.391 2.192 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccnc([C@H]2COc3ccccc3C2)n1 ZINC000088040469 179537981 /nfs/dbraw/zinc/53/79/81/179537981.db2.gz REFWCYSTARMMMZ-ZIAGYGMSSA-N 1 0 283.375 2.475 10 0 CEAERO CC[C@@H]([NH3+])Cc1nc([C@H]2COc3ccccc3C2)no1 ZINC000088043200 179538239 /nfs/dbraw/zinc/53/82/39/179538239.db2.gz JQPLCMHEFOOXBO-VXGBXAGGSA-N 1 0 273.336 2.068 10 0 CEAERO CC[C@H](Cc1nc(C2Cc3ccccc3C2)no1)[NH2+]C ZINC000088043320 179538250 /nfs/dbraw/zinc/53/82/50/179538250.db2.gz NSGDCMXINFJLBL-CQSZACIVSA-N 1 0 271.364 2.493 10 0 CEAERO C[C@H]([NH3+])CC[S@](=O)CCSc1ccccc1 ZINC000088075302 179544567 /nfs/dbraw/zinc/54/45/67/179544567.db2.gz HUPGJPWLCTZHSK-MEDUHNTESA-N 1 0 257.424 2.265 10 0 CEAERO C[C@@H]([NH3+])CC[S@@](=O)Cc1cc(Br)cs1 ZINC000088076190 179544790 /nfs/dbraw/zinc/54/47/90/179544790.db2.gz XQCJJBLGUQAEQG-UOWDBTKRSA-N 1 0 296.255 2.497 10 0 CEAERO Cc1c([C@@H](C)[NH3+])nnn1-c1ccc(Br)c(F)c1 ZINC000088085160 179546382 /nfs/dbraw/zinc/54/63/82/179546382.db2.gz GKQGLMLIYBWJNN-ZCFIWIBFSA-N 1 0 299.147 2.497 10 0 CEAERO CC[NH2+]C[C@H](CCCS(C)(=O)=O)c1ccccc1 ZINC000088097716 179546837 /nfs/dbraw/zinc/54/68/37/179546837.db2.gz XMTNBIPTSZJHDC-AWEZNQCLSA-N 1 0 269.410 2.205 10 0 CEAERO CC(C)[NH2+]CC(=O)Nc1c2nsnc2ccc1Cl ZINC000088126470 179553029 /nfs/dbraw/zinc/55/30/29/179553029.db2.gz GSHSHMNAPUSTAS-UHFFFAOYSA-N 1 0 284.772 2.281 10 0 CEAERO CC(C)(CN1CC[NH2+]CC1(C)C)C(=O)Nc1ccccc1 ZINC000088146820 179556317 /nfs/dbraw/zinc/55/63/17/179556317.db2.gz CIUKBXHMHKKEAK-UHFFFAOYSA-N 1 0 289.423 2.335 10 0 CEAERO C[C@H](O)C[C@@H](C[NH3+])c1ccccc1Br ZINC000088187221 179561103 /nfs/dbraw/zinc/56/11/03/179561103.db2.gz STPITPGDTZAJRJ-IUCAKERBSA-N 1 0 258.159 2.262 10 0 CEAERO c1ccc(C[N@@H+]2CCOC[C@H](c3ccnnc3)C2)cc1 ZINC000616663467 348553582 /nfs/dbraw/zinc/55/35/82/348553582.db2.gz QCFUKQFGBPZBGK-MRXNPFEDSA-N 1 0 269.348 2.093 10 0 CEAERO C[N@@H+]1CCc2ccccc2[C@H]1c1cccc(C(N)=O)c1 ZINC000616679052 348558031 /nfs/dbraw/zinc/55/80/31/348558031.db2.gz JJXQYZYENRQSKR-MRXNPFEDSA-N 1 0 266.344 2.363 10 0 CEAERO [NH3+]CCN1CCc2ccccc2[C@H]1c1cccc(CO)c1 ZINC000616680094 348558892 /nfs/dbraw/zinc/55/88/92/348558892.db2.gz LQILUMPXYRVRPV-GOSISDBHSA-N 1 0 282.387 2.085 10 0 CEAERO OCC[N@@H+]1CCc2ccccc2[C@@H]1c1cccc(CO)c1 ZINC000616679736 348559047 /nfs/dbraw/zinc/55/90/47/348559047.db2.gz ZXLJGIDHGPWDLN-SFHVURJKSA-N 1 0 283.371 2.119 10 0 CEAERO [NH3+]C[C@@H]1CN(Cc2ccccc2)c2ccccc2N1 ZINC000616689406 348561352 /nfs/dbraw/zinc/56/13/52/348561352.db2.gz FTQBBWOISIGUNR-CQSZACIVSA-N 1 0 253.349 2.446 10 0 CEAERO CCOc1ccccc1OCC[C@@](C)(C[NH3+])[C@@H](C)O ZINC000088415946 179596004 /nfs/dbraw/zinc/59/60/04/179596004.db2.gz JIFFGBYAOQPQNT-DOMZBBRYSA-N 1 0 267.369 2.200 10 0 CEAERO Cc1cncc(C(=O)N(C)c2ccc(C[NH3+])cc2)c1 ZINC000088448573 179605317 /nfs/dbraw/zinc/60/53/17/179605317.db2.gz LLTBUIVKOMGJHO-UHFFFAOYSA-N 1 0 255.321 2.125 10 0 CEAERO Cc1nn(C)c(C)c1OC[C@@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000088453829 179607174 /nfs/dbraw/zinc/60/71/74/179607174.db2.gz WZNVIAVTBWNPBX-KBPBESRZSA-N 1 0 295.427 2.351 10 0 CEAERO CC[C@H](C)C[C@H](C)NS(=O)(=O)CCC[NH2+]C(C)C ZINC000088302449 179576811 /nfs/dbraw/zinc/57/68/11/179576811.db2.gz UKQSHIMLQAGDLG-STQMWFEESA-N 1 0 278.462 2.119 10 0 CEAERO CC(C)[C@@H](C)N(C)C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000104196607 185925256 /nfs/dbraw/zinc/92/52/56/185925256.db2.gz IDZXAGGBMSGNIN-MWLCHTKSSA-N 1 0 266.307 2.031 10 0 CEAERO Cc1ccc(OC[C@H](O)[C@H]([NH3+])Cc2ccccc2)cc1 ZINC000088397886 179592128 /nfs/dbraw/zinc/59/21/28/179592128.db2.gz DOTXSBCGEAOIMD-SJORKVTESA-N 1 0 271.360 2.305 10 0 CEAERO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)COc1cccc(F)c1F ZINC000088398168 179592248 /nfs/dbraw/zinc/59/22/48/179592248.db2.gz RJBJEPVBIDJJBS-KBPBESRZSA-N 1 0 293.313 2.275 10 0 CEAERO c1cn(C[C@H]2CCC[N@@H+]2Cc2cccc3c2OCCO3)cn1 ZINC000178516816 542250063 /nfs/dbraw/zinc/25/00/63/542250063.db2.gz VXBHLILGRORTBV-OAHLLOKOSA-N 1 0 299.374 2.319 10 0 CEAERO CCC[NH2+][C@@H]1c2ccccc2C[C@@H]1Cc1ncnn1C ZINC000088580606 179628656 /nfs/dbraw/zinc/62/86/56/179628656.db2.gz GTMFVOFVOFEQMA-CJNGLKHVSA-N 1 0 270.380 2.271 10 0 CEAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@]1([NH3+])Cc1ncnn1C ZINC000088581253 179628832 /nfs/dbraw/zinc/62/88/32/179628832.db2.gz BSRLDYYXZBWZCL-MBNYWOFBSA-N 1 0 250.390 2.147 10 0 CEAERO CCC[NH2+][C@@H](Cc1ncnn1C)c1ccc(C)cc1 ZINC000088581705 179629733 /nfs/dbraw/zinc/62/97/33/179629733.db2.gz IMNHENFZBWKCRF-AWEZNQCLSA-N 1 0 258.369 2.407 10 0 CEAERO CCN(Cc1ncnn1C(C)C)C1(C[NH3+])CCCCC1 ZINC000088585934 179631323 /nfs/dbraw/zinc/63/13/23/179631323.db2.gz NZMLBZICZMAOPJ-UHFFFAOYSA-N 1 0 279.432 2.343 10 0 CEAERO CCn1ncnc1C[C@@H]([NH2+]C)c1ccc(F)c(F)c1 ZINC000088610482 179637989 /nfs/dbraw/zinc/63/79/89/179637989.db2.gz WAEMZTDNLUYJDU-GFCCVEGCSA-N 1 0 266.295 2.079 10 0 CEAERO CC(C)Cn1ncnc1C[C@@H](C[NH3+])Cc1cccc(F)c1 ZINC000088620010 179640793 /nfs/dbraw/zinc/64/07/93/179640793.db2.gz PHBYAHSCERGQSQ-AWEZNQCLSA-N 1 0 290.386 2.433 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](CC(C)C)CN1Cc1ncnn1C(C)C ZINC000088625463 179642599 /nfs/dbraw/zinc/64/25/99/179642599.db2.gz DZJXBSWJZAXGJP-GJZGRUSLSA-N 1 0 293.459 2.458 10 0 CEAERO CCn1ncnc1CN1CC(CC)(CC)[NH2+]C[C@]1(C)CC ZINC000088625712 179642893 /nfs/dbraw/zinc/64/28/93/179642893.db2.gz ZCIFUIVGCVBJBZ-HNNXBMFYSA-N 1 0 293.459 2.431 10 0 CEAERO C[C@H]1CCCCC[C@H]1NS(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000088512985 179616274 /nfs/dbraw/zinc/61/62/74/179616274.db2.gz DQBXOYKJATXSML-SWLSCSKDSA-N 1 0 296.436 2.392 10 0 CEAERO CC[NH2+][C@@H](Cc1ccc2ccccc2n1)[C@@H]1COCCO1 ZINC000088519430 179617380 /nfs/dbraw/zinc/61/73/80/179617380.db2.gz IENDWHURUWGWND-IRXDYDNUSA-N 1 0 286.375 2.171 10 0 CEAERO C[C@H]([NH3+])[C@@](O)(Cc1ccnc2ccccc12)C(F)(F)F ZINC000088529770 179618055 /nfs/dbraw/zinc/61/80/55/179618055.db2.gz TUUPXECYRSKDSZ-ZANVPECISA-N 1 0 284.281 2.418 10 0 CEAERO CC[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1ccccc1C ZINC000088716893 179657819 /nfs/dbraw/zinc/65/78/19/179657819.db2.gz LCDABCBZWNTAEX-CQSZACIVSA-N 1 0 296.436 2.148 10 0 CEAERO C[C@@H]1CC[C@H](C[NH3+])CN1C(=O)c1cccc2cc[nH]c21 ZINC000088732400 179659982 /nfs/dbraw/zinc/65/99/82/179659982.db2.gz WTUHMVOBLYVAFY-VXGBXAGGSA-N 1 0 271.364 2.367 10 0 CEAERO CCc1nc(CC)n([C@H]2CC(C)(C)CC[C@@H]2[NH3+])n1 ZINC000088740935 179661945 /nfs/dbraw/zinc/66/19/45/179661945.db2.gz WCDYQDFMXSKBGZ-QWRGUYRKSA-N 1 0 250.390 2.481 10 0 CEAERO CCc1nc(CC)n(-c2ccc(CC[NH3+])cc2C)n1 ZINC000088746248 179663672 /nfs/dbraw/zinc/66/36/72/179663672.db2.gz HYQQFQXAJXBAIJ-UHFFFAOYSA-N 1 0 258.369 2.202 10 0 CEAERO CCC[C@@]1(C(=O)N[C@@H]2CC=CCC2)CCC[NH2+]C1 ZINC000088748417 179664169 /nfs/dbraw/zinc/66/41/69/179664169.db2.gz KULNJTSSZJWYPJ-UKRRQHHQSA-N 1 0 250.386 2.381 10 0 CEAERO CC[NH2+]CCCCS(=O)(=O)N(C)[C@@H](C)C(C)(C)C ZINC000089007553 179690805 /nfs/dbraw/zinc/69/08/05/179690805.db2.gz QNMJUCCSTYJYRZ-LBPRGKRZSA-N 1 0 278.462 2.072 10 0 CEAERO C[NH2+]CCCc1nnc(-c2ccc(F)cc2)s1 ZINC000088811669 179676605 /nfs/dbraw/zinc/67/66/05/179676605.db2.gz JHEFWPJZUUTZFS-UHFFFAOYSA-N 1 0 251.330 2.496 10 0 CEAERO CCN(CC[NH3+])c1ncc(Br)cc1Cl ZINC000233458112 539670977 /nfs/dbraw/zinc/67/09/77/539670977.db2.gz QDRMZDLTCARWAW-UHFFFAOYSA-N 1 0 278.581 2.283 10 0 CEAERO CCn1cc(Cl)cc1C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000089090792 179698128 /nfs/dbraw/zinc/69/81/28/179698128.db2.gz ZAWRPYCGPFWWOB-KOLCDFICSA-N 1 0 269.776 2.019 10 0 CEAERO CN(C(=O)CSc1ccccc1)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089109979 179705426 /nfs/dbraw/zinc/70/54/26/179705426.db2.gz UOKCBYDZTYXFKA-OCCSQVGLSA-N 1 0 278.421 2.365 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1cccc2cc[nH]c21 ZINC000089091037 539688752 /nfs/dbraw/zinc/68/87/52/539688752.db2.gz GZJWFPANSQJRCT-WCQYABFASA-N 1 0 257.337 2.025 10 0 CEAERO Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2C[NH3+])c(C)n1 ZINC000089131752 179713785 /nfs/dbraw/zinc/71/37/85/179713785.db2.gz RLJFIEKQTHWWRJ-UKRRQHHQSA-N 1 0 275.396 2.288 10 0 CEAERO COC(=O)c1cc(N[C@@H]2CCC[C@@H]2C[NH3+])c(F)cc1F ZINC000089149308 179725085 /nfs/dbraw/zinc/72/50/85/179725085.db2.gz XQOSXWHZACCUOZ-PRHODGIISA-N 1 0 284.306 2.291 10 0 CEAERO CCC[NH2+][C@@H](COC)Cc1nn(C)c2ccccc12 ZINC000089177635 179742685 /nfs/dbraw/zinc/74/26/85/179742685.db2.gz FSEAKCLTXFVDPW-GFCCVEGCSA-N 1 0 261.369 2.130 10 0 CEAERO CCn1nc(C[C@H](C)C[NH2+]CCOC)c2ccccc21 ZINC000089179082 179743700 /nfs/dbraw/zinc/74/37/00/179743700.db2.gz XDXUXGYQGQFGMN-ZDUSSCGKSA-N 1 0 275.396 2.471 10 0 CEAERO CCn1nc(C)cc1CN(C)CC[NH2+]C(C)(C)C ZINC000089185986 179746774 /nfs/dbraw/zinc/74/67/74/179746774.db2.gz MELSYJGSUTXQOJ-UHFFFAOYSA-N 1 0 252.406 2.031 10 0 CEAERO CCc1cc(C[C@@]2(C[NH3+])COc3ccccc3C2)n(C)n1 ZINC000089230932 179758720 /nfs/dbraw/zinc/75/87/20/179758720.db2.gz MILMUDDLGZQVJF-KRWDZBQOSA-N 1 0 285.391 2.105 10 0 CEAERO C[NH2+][C@H](Cc1c(Cl)c(C)nn1C)C[C@H]1CCCO1 ZINC000089250748 179760664 /nfs/dbraw/zinc/76/06/64/179760664.db2.gz IXTWIKJLLMBTGK-WDEREUQCSA-N 1 0 271.792 2.082 10 0 CEAERO COc1ccc([C@](C)([NH3+])Cc2cc(C)nn2C)cc1 ZINC000089190721 179748956 /nfs/dbraw/zinc/74/89/56/179748956.db2.gz MJQKBGKOHRUUME-OAHLLOKOSA-N 1 0 259.353 2.154 10 0 CEAERO CCc1cc(C[C@@H]([NH3+])Cc2ccccc2OC)n(C)n1 ZINC000089193538 179749926 /nfs/dbraw/zinc/74/99/26/179749926.db2.gz NBZUBIYARCZDLX-ZDUSSCGKSA-N 1 0 273.380 2.104 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1ccc2c(c1)CCC2 ZINC000089449231 539716331 /nfs/dbraw/zinc/71/63/31/539716331.db2.gz CRLWTOXVFGPPHG-ZFWWWQNUSA-N 1 0 258.365 2.489 10 0 CEAERO CC(C)(CNC(=O)[C@@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000089458089 539717466 /nfs/dbraw/zinc/71/74/66/539717466.db2.gz XIMXPKXYUMAKJD-DZGCQCFKSA-N 1 0 274.408 2.455 10 0 CEAERO CCc1cc(CN2CC[NH2+]C(CC)(CC)C2)n(CC)n1 ZINC000089208518 179754781 /nfs/dbraw/zinc/75/47/81/179754781.db2.gz RQZDOYUGMYCSBY-UHFFFAOYSA-N 1 0 278.444 2.429 10 0 CEAERO CC[C@]1(C)C[NH2+][C@](C)(C2CC2)CN1Cc1cc(C)nn1C ZINC000089210838 179755580 /nfs/dbraw/zinc/75/55/80/179755580.db2.gz WZENUWRVYRKJDG-SJORKVTESA-N 1 0 290.455 2.471 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1ccc2[nH]ccc2c1 ZINC000089459490 539718549 /nfs/dbraw/zinc/71/85/49/539718549.db2.gz ZTISSIWCNZNXGI-YPMHNXCESA-N 1 0 257.337 2.481 10 0 CEAERO CCc1nn(CC)c(C[C@]2([NH3+])CCCOC2)c1Cl ZINC000089356085 179772121 /nfs/dbraw/zinc/77/21/21/179772121.db2.gz VFPRJVZOBXMWEI-CYBMUJFWSA-N 1 0 271.792 2.169 10 0 CEAERO Cc1nn(C)c(CN2C[C@@H](C3CC3)[NH2+]CC[C@@H]2C)c1Cl ZINC000089271521 179763169 /nfs/dbraw/zinc/76/31/69/179763169.db2.gz MMFCPLPHLLJEHJ-GWCFXTLKSA-N 1 0 296.846 2.344 10 0 CEAERO CCc1nn(CC)c(C[C@@]2(C[NH3+])CCC[C@@H]2O)c1Cl ZINC000089379800 179774881 /nfs/dbraw/zinc/77/48/81/179774881.db2.gz JOUKOQTVKYMMIC-GXTWGEPZSA-N 1 0 285.819 2.151 10 0 CEAERO CC[NH2+]C[C@H]1CCCN1Cc1c(Cl)c(C)nn1CC ZINC000089279444 179764729 /nfs/dbraw/zinc/76/47/29/179764729.db2.gz KOKWRIUVCUHNLW-GFCCVEGCSA-N 1 0 284.835 2.439 10 0 CEAERO COCCOc1ccc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089454211 179793559 /nfs/dbraw/zinc/79/35/59/179793559.db2.gz NCCXWTWBZPCEBN-DOMZBBRYSA-N 1 0 292.379 2.025 10 0 CEAERO NC(=O)c1cccc(COC[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000089535155 179812581 /nfs/dbraw/zinc/81/25/81/179812581.db2.gz LJXKTWOPHUWIQN-GJZGRUSLSA-N 1 0 276.380 2.067 10 0 CEAERO OC[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000089495806 179803755 /nfs/dbraw/zinc/80/37/55/179803755.db2.gz FPPJKFARVHEPOK-HUUCEWRRSA-N 1 0 291.391 2.346 10 0 CEAERO CCOC(=O)CCCCC[NH2+]C[C@H]1CCC[C@@H]1CO ZINC000089498436 179804217 /nfs/dbraw/zinc/80/42/17/179804217.db2.gz UYJFVKBFICCVLG-ZIAGYGMSSA-N 1 0 271.401 2.108 10 0 CEAERO COc1ccccc1OCC[NH2+]C[C@H]1CCC[C@@H]1CO ZINC000089498604 179804454 /nfs/dbraw/zinc/80/44/54/179804454.db2.gz YVUUQKUGERSYQI-ZIAGYGMSSA-N 1 0 279.380 2.072 10 0 CEAERO Cc1cc(C(=O)NC[C@@H]2CCC[C@@H]2C[NH3+])ccc1F ZINC000089500298 179805128 /nfs/dbraw/zinc/80/51/28/179805128.db2.gz MHIUAMGHBQLKOB-OLZOCXBDSA-N 1 0 264.344 2.239 10 0 CEAERO COc1ccc(NC(=O)NC[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089500875 179805464 /nfs/dbraw/zinc/80/54/64/179805464.db2.gz WRVBPYBRJQSVEG-VXGBXAGGSA-N 1 0 277.368 2.192 10 0 CEAERO CCc1ccc([C@@H](C)NC(=O)C[C@H]2CC[NH2+]C2)cc1 ZINC000089741977 179857900 /nfs/dbraw/zinc/85/79/00/179857900.db2.gz VNZITFXSWJSNQI-TZMCWYRMSA-N 1 0 260.381 2.426 10 0 CEAERO CC(C)C[C@](C)(O)C[NH2+]C1CCC2(CC1)OCCO2 ZINC000090270432 179943778 /nfs/dbraw/zinc/94/37/78/179943778.db2.gz DYUXOYKTZKMWCC-AWEZNQCLSA-N 1 0 271.401 2.059 10 0 CEAERO CCn1cncc1COc1cccc2c1CC[C@H]2[NH3+] ZINC000090235547 179937502 /nfs/dbraw/zinc/93/75/02/179937502.db2.gz REXZBHQXWGONKU-CQSZACIVSA-N 1 0 257.337 2.428 10 0 CEAERO c1cc2ncnc(NCC[C@@H]3CCC[NH2+]C3)c2s1 ZINC000104367177 185985886 /nfs/dbraw/zinc/98/58/86/185985886.db2.gz SBYIZEZPQNTMST-JTQLQIEISA-N 1 0 262.382 2.493 10 0 CEAERO CC1(C)[C@H]2C[NH2+]C[C@@H]2CN1C(=O)c1ccc2cc[nH]c2c1 ZINC000090336208 179964936 /nfs/dbraw/zinc/96/49/36/179964936.db2.gz WUTFQQGFOCDLBU-KGLIPLIRSA-N 1 0 283.375 2.238 10 0 CEAERO CC(C)(C(=O)N1C[C@H]2C[NH2+]C[C@@H]2C1(C)C)c1ccccc1 ZINC000090335992 179965040 /nfs/dbraw/zinc/96/50/40/179965040.db2.gz IZRSFNKJBJLUNJ-HIFRSBDPSA-N 1 0 286.419 2.421 10 0 CEAERO C[C@H]([NH3+])CSCC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000090343486 179968423 /nfs/dbraw/zinc/96/84/23/179968423.db2.gz NRFVAJPULPUWAH-AVGNSLFASA-N 1 0 270.442 2.248 10 0 CEAERO COC(=O)[C@H](CSC[C@H](C)[NH3+])c1ccccc1 ZINC000090342561 179968803 /nfs/dbraw/zinc/96/88/03/179968803.db2.gz LLSMNCRVTPTDJE-CMPLNLGQSA-N 1 0 253.367 2.024 10 0 CEAERO C[C@@H]([NH3+])CCSCC(=O)N(C)Cc1ccsc1 ZINC000090345932 179970058 /nfs/dbraw/zinc/97/00/58/179970058.db2.gz VTQJYPSRPJRNQA-SNVBAGLBSA-N 1 0 272.439 2.177 10 0 CEAERO CCOc1ccccc1NC(=O)CSCC[C@@H](C)[NH3+] ZINC000090346572 179970537 /nfs/dbraw/zinc/97/05/37/179970537.db2.gz CKCMJQCQNXCFBP-LLVKDONJSA-N 1 0 282.409 2.494 10 0 CEAERO C[C@@H](C[NH3+])CSCC(=O)Nc1ccccc1F ZINC000090349812 179971460 /nfs/dbraw/zinc/97/14/60/179971460.db2.gz CUKOQDWSTKQBAT-VIFPVBQESA-N 1 0 256.346 2.092 10 0 CEAERO COc1ccccc1NC(=O)CCSC[C@H](C)C[NH3+] ZINC000090351104 179972962 /nfs/dbraw/zinc/97/29/62/179972962.db2.gz CFGMOGRMEJTUAS-LLVKDONJSA-N 1 0 282.409 2.352 10 0 CEAERO C[C@H](CC[NH3+])SCC(=O)N[C@@H](C)c1cccs1 ZINC000090354438 179973189 /nfs/dbraw/zinc/97/31/89/179973189.db2.gz SJNZNUZGEUEXDJ-ZJUUUORDSA-N 1 0 272.439 2.396 10 0 CEAERO CC(C)n1cncc1CN1C[C@H]([NH3+])Cc2ccccc21 ZINC000090237057 535103285 /nfs/dbraw/zinc/10/32/85/535103285.db2.gz KCLFJJBLBIAZHY-CQSZACIVSA-N 1 0 270.380 2.354 10 0 CEAERO [NH3+]CCN(c1cnnc2ccccc21)C1CCCC1 ZINC000104432120 186000129 /nfs/dbraw/zinc/00/01/29/186000129.db2.gz QFYRYJUHONWODQ-UHFFFAOYSA-N 1 0 256.353 2.338 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1cccc(Cl)c1 ZINC000090538856 180000174 /nfs/dbraw/zinc/00/01/74/180000174.db2.gz DLMUIRZRFKOFKE-QWHCGFSZSA-N 1 0 282.771 2.293 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)NC1CCC(C)(C)CC1 ZINC000090545912 180000695 /nfs/dbraw/zinc/00/06/95/180000695.db2.gz WFJGHVXAGZBJPJ-UONOGXRCSA-N 1 0 282.428 2.086 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)N(CC)c1ccc(C)cc1 ZINC000090544425 180001127 /nfs/dbraw/zinc/00/11/27/180001127.db2.gz YRUAOUHBCWCBJG-HOTGVXAUSA-N 1 0 290.407 2.363 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1CN1CCC[C@H](C(F)(F)F)C1 ZINC000090567236 180006483 /nfs/dbraw/zinc/00/64/83/180006483.db2.gz NACKMPDFTKWHJQ-RWMBFGLXSA-N 1 0 294.361 2.275 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1CN(C)c1cccc(F)c1 ZINC000090566732 180006869 /nfs/dbraw/zinc/00/68/69/180006869.db2.gz WMVBYOZOKUVBNT-IUODEOHRSA-N 1 0 266.360 2.277 10 0 CEAERO O=C(CSCC1C[NH2+]C1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000090712850 180028734 /nfs/dbraw/zinc/02/87/34/180028734.db2.gz HRBVBDAVNFMQEK-UONOGXRCSA-N 1 0 282.453 2.120 10 0 CEAERO CCCn1c2cccc(F)c2nc1[C@]1(C)COC[C@@H]1[NH3+] ZINC000090571788 180007424 /nfs/dbraw/zinc/00/74/24/180007424.db2.gz KQODIANIGUJUGY-SWLSCSKDSA-N 1 0 277.343 2.201 10 0 CEAERO C[C@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)NCC1(C)CCCC1 ZINC000104438841 186001931 /nfs/dbraw/zinc/00/19/31/186001931.db2.gz RGQAYDFWMVJDLI-XQQFMLRXSA-N 1 0 252.402 2.446 10 0 CEAERO CC(C)c1ccc(CN(C)C(=O)[C@@]2(C)COC[C@@H]2[NH3+])cc1 ZINC000090591465 180009905 /nfs/dbraw/zinc/00/99/05/180009905.db2.gz WIYOZWIGCBBCBK-RDJZCZTQSA-N 1 0 290.407 2.132 10 0 CEAERO CC(C)CCN(CCC(C)C)C(=O)[C@]1(C)COC[C@H]1[NH3+] ZINC000090591430 180009958 /nfs/dbraw/zinc/00/99/58/180009958.db2.gz AJTAXNBCDGIFKK-GDBMZVCRSA-N 1 0 284.444 2.271 10 0 CEAERO CC[NH2+][C@](C)(CO)CCCCO[C@H](C)C(F)(F)F ZINC000090676004 180022581 /nfs/dbraw/zinc/02/25/81/180022581.db2.gz YSOGHLVXMBSHOD-MNOVXSKESA-N 1 0 271.323 2.485 10 0 CEAERO CN(CC[C@@H]1CCCC[NH2+]1)CC(=O)Nc1ccccc1 ZINC000090693477 180025567 /nfs/dbraw/zinc/02/55/67/180025567.db2.gz WJZTXQYBKJHNDF-AWEZNQCLSA-N 1 0 275.396 2.089 10 0 CEAERO CCC(=O)N1CCCSC[C@H]1C[NH+]1CCCCC1 ZINC000090701265 180027933 /nfs/dbraw/zinc/02/79/33/180027933.db2.gz OVQIJUFCRHCJSF-CYBMUJFWSA-N 1 0 270.442 2.216 10 0 CEAERO COC(=O)c1cc(NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ccn1 ZINC000090738553 180034878 /nfs/dbraw/zinc/03/48/78/180034878.db2.gz RRWFKWAWKPHEEW-AGUYFDCRSA-N 1 0 289.379 2.295 10 0 CEAERO CC(C)Oc1cc(NC[C@@H]([NH3+])c2ccccc2)ncn1 ZINC000090786087 180040193 /nfs/dbraw/zinc/04/01/93/180040193.db2.gz DOFDZJFFMYUFNY-CYBMUJFWSA-N 1 0 272.352 2.376 10 0 CEAERO CC(C)Oc1cc(N(C)[C@@H]2CCCC[C@@H]2C[NH3+])ncn1 ZINC000090786213 180040550 /nfs/dbraw/zinc/04/05/50/180040550.db2.gz ISTXQVWCIAXHKN-CHWSQXEVSA-N 1 0 278.400 2.218 10 0 CEAERO CC(C)Oc1cc(N[C@@H]2c3ccccc3C[C@@H]2[NH3+])ncn1 ZINC000090786639 180040921 /nfs/dbraw/zinc/04/09/21/180040921.db2.gz DNVNOSJQHPNSCH-XJKSGUPXSA-N 1 0 284.363 2.300 10 0 CEAERO CCOc1cc(NC[C@@H]2CCCC[C@@H]2[NH3+])nc(C)n1 ZINC000090788413 180041351 /nfs/dbraw/zinc/04/13/51/180041351.db2.gz AFBYOMYFFZRQQV-RYUDHWBXSA-N 1 0 264.373 2.113 10 0 CEAERO CCOc1ncnc(O[C@@H]2CCCC[C@H]2C[NH3+])c1C ZINC000090789855 180041876 /nfs/dbraw/zinc/04/18/76/180041876.db2.gz SQOSNFOACQUCNL-NWDGAFQWSA-N 1 0 265.357 2.080 10 0 CEAERO CC[C@H](Cc1ccccc1)[NH2+]C[C@@H](C)[S@](C)=O ZINC000090841250 180043254 /nfs/dbraw/zinc/04/32/54/180043254.db2.gz ZNLXUBLKVBJJAA-SUYBPPKGSA-N 1 0 253.411 2.364 10 0 CEAERO C[C@H](C[NH2+]C1C2CC3CC(C2)CC1C3)[S@@](C)=O ZINC000090842607 180044623 /nfs/dbraw/zinc/04/46/23/180044623.db2.gz XLJJEWTYMWRIMY-YAGZRTSNSA-N 1 0 255.427 2.168 10 0 CEAERO CS(=O)(=O)c1ccc(O[C@@H]2C[C@H]([NH3+])C23CCCC3)cc1 ZINC000090861982 180047192 /nfs/dbraw/zinc/04/71/92/180047192.db2.gz WWIAFZUPMMUSCC-UONOGXRCSA-N 1 0 295.404 2.129 10 0 CEAERO CCCNC(=O)[C@H](C)Sc1cccc(C[NH3+])c1 ZINC000090870393 180049106 /nfs/dbraw/zinc/04/91/06/180049106.db2.gz BYJXPMHRIMBKTD-JTQLQIEISA-N 1 0 252.383 2.152 10 0 CEAERO C[NH2+]Cc1cccc(S[C@@H](C)C(=O)NC(C)C)c1 ZINC000090870656 180049383 /nfs/dbraw/zinc/04/93/83/180049383.db2.gz KZTNPOQHKFRUQQ-NSHDSACASA-N 1 0 266.410 2.411 10 0 CEAERO CC(C)C[NH2+]Cc1cccc(SCCC(N)=O)c1 ZINC000090872739 180049975 /nfs/dbraw/zinc/04/99/75/180049975.db2.gz XFRJQPXTBRNKHG-UHFFFAOYSA-N 1 0 266.410 2.400 10 0 CEAERO C[C@H](CN1CCCC1)[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000090874397 180050281 /nfs/dbraw/zinc/05/02/81/180050281.db2.gz MMMXMLVIMGSOSF-UKRRQHHQSA-N 1 0 260.381 2.064 10 0 CEAERO c1ccc2c(c1)C[C@@H](COCC[C@H]1CCC[NH2+]C1)O2 ZINC000090875667 180051272 /nfs/dbraw/zinc/05/12/72/180051272.db2.gz JVHSMQBTYKJMEW-HIFRSBDPSA-N 1 0 261.365 2.396 10 0 CEAERO CC[NH2+]C[C@H]1CCCN1C[C@@H]1Cc2ccccc2O1 ZINC000090875355 180051405 /nfs/dbraw/zinc/05/14/05/180051405.db2.gz RWSRGHBTPXPQRN-CABCVRRESA-N 1 0 260.381 2.064 10 0 CEAERO CC(C)[NH2+]Cc1ccn(C[C@H]2Cc3ccccc3O2)n1 ZINC000090877799 180052376 /nfs/dbraw/zinc/05/23/76/180052376.db2.gz DKOWEGYAIDLUKJ-OAHLLOKOSA-N 1 0 271.364 2.385 10 0 CEAERO CC(C)(C)[C@@H]1C[NH2+]CCN1C[C@@H]1Cc2ccccc2O1 ZINC000090878254 180052424 /nfs/dbraw/zinc/05/24/24/180052424.db2.gz ANXCTFNDSGGEOT-HOCLYGCPSA-N 1 0 274.408 2.310 10 0 CEAERO C[NH2+]C[C@H]1CCCN(C[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090893526 180054658 /nfs/dbraw/zinc/05/46/58/180054658.db2.gz WKCBLJBWOBGACM-DOMZBBRYSA-N 1 0 278.371 2.061 10 0 CEAERO Fc1ccc2c(c1)C[C@H](CN1CCC[C@@H]1C[NH2+]C1CC1)O2 ZINC000090893521 180055409 /nfs/dbraw/zinc/05/54/09/180055409.db2.gz HAASZLNSXYEGTB-HZPDHXFCSA-N 1 0 290.382 2.346 10 0 CEAERO CCCN(CC[NH2+]C)C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893491 180055539 /nfs/dbraw/zinc/05/55/39/180055539.db2.gz LQZBDCMWRDWZNH-AWEZNQCLSA-N 1 0 266.360 2.061 10 0 CEAERO CC[NH2+]Cc1cn(C[C@H]2Cc3cc(F)ccc3O2)nc1C ZINC000090895596 180056035 /nfs/dbraw/zinc/05/60/35/180056035.db2.gz YWXSGZOAAZXDJC-OAHLLOKOSA-N 1 0 289.354 2.444 10 0 CEAERO OC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090894792 180056085 /nfs/dbraw/zinc/05/60/85/180056085.db2.gz DHDCBXRDIZAMBI-IXXDHKBRSA-N 1 0 277.339 2.117 10 0 CEAERO CCC[C@H]1C[NH2+]CCN1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090896126 180056150 /nfs/dbraw/zinc/05/61/50/180056150.db2.gz YCPWGUZTFRDXFU-GJZGRUSLSA-N 1 0 278.371 2.203 10 0 CEAERO CC[C@]1(C)C[NH2+]CCN1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090896133 180056891 /nfs/dbraw/zinc/05/68/91/180056891.db2.gz HWLGMSRACRSLER-GOEBONIOSA-N 1 0 278.371 2.203 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](C[NH2+]C1(CO)CCCC1)O2 ZINC000090897935 180057152 /nfs/dbraw/zinc/05/71/52/180057152.db2.gz MYHAUYUEXZZKEQ-AWEZNQCLSA-N 1 0 261.365 2.193 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](C[NH2+]CC(C)(C)N(C)C)O2 ZINC000090897779 180057547 /nfs/dbraw/zinc/05/75/47/180057547.db2.gz KKOHSEZYZUTMSD-AWEZNQCLSA-N 1 0 262.397 2.228 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[N@H+](CCC(N)=S)C1CC1)O2 ZINC000090898420 180057925 /nfs/dbraw/zinc/05/79/25/180057925.db2.gz ZUGQRYCLXSXWBO-CQSZACIVSA-N 1 0 290.432 2.439 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](COC[C@@H]1CCC[NH2+]C1)O2 ZINC000090899116 180058136 /nfs/dbraw/zinc/05/81/36/180058136.db2.gz GQSYQLIKAWNPQF-HIFRSBDPSA-N 1 0 261.365 2.315 10 0 CEAERO CC[C@](C)(CO)[NH2+]C[C@H]1Cc2cc(Cl)ccc2O1 ZINC000090905018 180059832 /nfs/dbraw/zinc/05/98/32/180059832.db2.gz GJCLPAZZWROWFW-TZMCWYRMSA-N 1 0 269.772 2.394 10 0 CEAERO CC[NH2+][C@@H](CN1C[C@H]2CC[C@@H](C1)O2)c1cccc(OC)c1 ZINC000090905988 180061115 /nfs/dbraw/zinc/06/11/15/180061115.db2.gz AYOSSUJJKANMGD-BBWFWOEESA-N 1 0 290.407 2.209 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(NC(=O)N2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090909156 180062705 /nfs/dbraw/zinc/06/27/05/180062705.db2.gz FQPQZOCVVCAEKX-TUKIKUTGSA-N 1 0 289.379 2.362 10 0 CEAERO C[NH2+][C@H](C)c1cccc(NC(=O)N2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000090909155 180062859 /nfs/dbraw/zinc/06/28/59/180062859.db2.gz PQLFTAQHVYBJTM-DFBGVHRSSA-N 1 0 289.379 2.362 10 0 CEAERO CN(Cc1csc(CC[NH3+])n1)c1cccc(F)c1 ZINC000090958484 180075067 /nfs/dbraw/zinc/07/50/67/180075067.db2.gz YBJIMUJYDLPNAM-UHFFFAOYSA-N 1 0 265.357 2.420 10 0 CEAERO CC(=O)Nc1ccsc1CN[C@@H](C)CC[NH+](C)C ZINC000090960468 180075673 /nfs/dbraw/zinc/07/56/73/180075673.db2.gz DVPGJLPLJAZNLH-JTQLQIEISA-N 1 0 269.414 2.136 10 0 CEAERO CC(C)C[C@H](C[NH2+]Cc1sccc1N)N(C)C ZINC000090959261 180075696 /nfs/dbraw/zinc/07/56/96/180075696.db2.gz ZKJSIUVLOPMMDY-LLVKDONJSA-N 1 0 255.431 2.396 10 0 CEAERO [NH3+]CCc1nc(CN2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC000090958799 180075734 /nfs/dbraw/zinc/07/57/34/180075734.db2.gz NHGPGXZKFQRCPV-SECBINFHSA-N 1 0 293.358 2.419 10 0 CEAERO Cc1c([C@@H](C)[NH2+]Cc2sccc2N)cnn1C ZINC000090960137 180075754 /nfs/dbraw/zinc/07/57/54/180075754.db2.gz NBCBUHCZMYMZFM-MRVPVSSYSA-N 1 0 250.371 2.223 10 0 CEAERO CC(=O)Nc1ccccc1C[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000090962099 180076423 /nfs/dbraw/zinc/07/64/23/180076423.db2.gz VZQWXKOUEIYILK-ZIAGYGMSSA-N 1 0 262.353 2.038 10 0 CEAERO CC(=O)Nc1ccccc1CN[C@H](C)CC[NH+](C)C ZINC000090962424 180077103 /nfs/dbraw/zinc/07/71/03/180077103.db2.gz OCBQZFZBNDSYJR-GFCCVEGCSA-N 1 0 263.385 2.075 10 0 CEAERO O=C([C@H]1Cc2ccccc21)N1CCC[C@H]1C1CC[NH2+]CC1 ZINC000090983782 180080316 /nfs/dbraw/zinc/08/03/16/180080316.db2.gz HVMOROIZUAWLGK-IRXDYDNUSA-N 1 0 284.403 2.317 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCCN1C[C@@H]1Cc2ccccc21 ZINC000090993370 180081848 /nfs/dbraw/zinc/08/18/48/180081848.db2.gz OJXCCBAXHQFJAU-BBRMVZONSA-N 1 0 270.376 2.069 10 0 CEAERO [NH3+]Cc1cn(Cc2noc(C3CC3)n2)c2ccccc12 ZINC000090995002 180082652 /nfs/dbraw/zinc/08/26/52/180082652.db2.gz ATWAMPFBUABICH-UHFFFAOYSA-N 1 0 268.320 2.409 10 0 CEAERO COCc1cc(Cn2cc(C[NH3+])c3ccccc32)no1 ZINC000090995055 180082863 /nfs/dbraw/zinc/08/28/63/180082863.db2.gz XZLZUXQIRFXFGR-UHFFFAOYSA-N 1 0 271.320 2.283 10 0 CEAERO CC[NH2+]Cc1cn(CCC(=O)OC)c2ccccc12 ZINC000090995405 180082928 /nfs/dbraw/zinc/08/29/28/180082928.db2.gz PEQKNSBRMWSISB-UHFFFAOYSA-N 1 0 260.337 2.314 10 0 CEAERO CCC[NH2+]Cc1cn(CC(=O)NCC)c2ccccc12 ZINC000090995448 180083015 /nfs/dbraw/zinc/08/30/15/180083015.db2.gz KGSSAFXYXRQODW-UHFFFAOYSA-N 1 0 273.380 2.277 10 0 CEAERO CC(C)CNC(=O)Cn1cccc1C[NH2+]CC(C)C ZINC000091001856 180083256 /nfs/dbraw/zinc/08/32/56/180083256.db2.gz PEUCKIMFPXAPFN-UHFFFAOYSA-N 1 0 265.401 2.006 10 0 CEAERO CC(C)C[NH2+]Cc1nccn1CC(=O)N1CCCCCC1 ZINC000091002760 180083759 /nfs/dbraw/zinc/08/37/59/180083759.db2.gz HFHQVNSWZQBPQL-UHFFFAOYSA-N 1 0 292.427 2.031 10 0 CEAERO C[NH2+]Cc1ccn(CC(=O)Nc2ccc(Cl)cc2)c1 ZINC000091003066 180083791 /nfs/dbraw/zinc/08/37/91/180083791.db2.gz RLRUIICPVMINMM-UHFFFAOYSA-N 1 0 277.755 2.500 10 0 CEAERO CCc1nn(C)c(Cn2ccc(C[NH2+]C)c2)c1Cl ZINC000091003083 180083839 /nfs/dbraw/zinc/08/38/39/180083839.db2.gz TYGHGXNGTFQTHM-UHFFFAOYSA-N 1 0 266.776 2.205 10 0 CEAERO CCOC(=O)CCCCCn1cccc1C[NH2+]CCOC ZINC000091002051 180084254 /nfs/dbraw/zinc/08/42/54/180084254.db2.gz OELGBGSASONOIS-UHFFFAOYSA-N 1 0 296.411 2.348 10 0 CEAERO C[C@H]([NH3+])Cc1cn(Cc2cnn(C)c2)c2ccccc12 ZINC000091005011 180084647 /nfs/dbraw/zinc/08/46/47/180084647.db2.gz YVKGQKMLVBMVBD-LBPRGKRZSA-N 1 0 268.364 2.313 10 0 CEAERO C[C@@H]([NH2+]Cc1c[nH]c2ncccc12)C(=O)N1CCCCC1 ZINC000091017325 180086930 /nfs/dbraw/zinc/08/69/30/180086930.db2.gz UDQVLBJIEURMLA-GFCCVEGCSA-N 1 0 286.379 2.054 10 0 CEAERO O=Cc1cn(CCC[NH+]2CCCC2)c2ncccc12 ZINC000091016968 180086951 /nfs/dbraw/zinc/08/69/51/180086951.db2.gz ASWXSBFBYHVBGM-UHFFFAOYSA-N 1 0 257.337 2.335 10 0 CEAERO CCC[NH2+]Cc1cn(CC(=O)OCC)c2ncccc12 ZINC000091020307 180087723 /nfs/dbraw/zinc/08/77/23/180087723.db2.gz FOKHNTRVCBYVKI-UHFFFAOYSA-N 1 0 275.352 2.099 10 0 CEAERO C[NH2+]Cc1cn(Cc2noc(C(C)C)n2)c2ncccc12 ZINC000091019402 180087804 /nfs/dbraw/zinc/08/78/04/180087804.db2.gz GOXVPBXBWLANLZ-UHFFFAOYSA-N 1 0 285.351 2.310 10 0 CEAERO C[NH2+]Cc1cn(Cc2cc(C)no2)c2ncccc12 ZINC000091019343 180087817 /nfs/dbraw/zinc/08/78/17/180087817.db2.gz XJKNPUITONWGNR-UHFFFAOYSA-N 1 0 256.309 2.100 10 0 CEAERO CC(C)C[C@@](C)(O)C[NH2+]Cc1c[nH]c2ncccc12 ZINC000091019167 180088299 /nfs/dbraw/zinc/08/82/99/180088299.db2.gz RBMTXYRYKDIQMA-OAHLLOKOSA-N 1 0 261.369 2.450 10 0 CEAERO CC(C)C[C@@H](C)OC(=O)c1csc(CC[NH3+])n1 ZINC000090939584 180068178 /nfs/dbraw/zinc/06/81/78/180068178.db2.gz ROFACJZFOMYUIF-SECBINFHSA-N 1 0 256.371 2.236 10 0 CEAERO c1cnc2c(c1)nc(C[C@@H]1CSCC[NH2+]1)n2C1CC1 ZINC000091128714 180100024 /nfs/dbraw/zinc/10/00/24/180100024.db2.gz GWHRSABCVPBNNW-SNVBAGLBSA-N 1 0 274.393 2.014 10 0 CEAERO CC(C)(C)SCc1noc(C[C@H]2CSCC[NH2+]2)n1 ZINC000091129176 180101394 /nfs/dbraw/zinc/10/13/94/180101394.db2.gz RBOVPSAIDLSVQD-VIFPVBQESA-N 1 0 287.454 2.349 10 0 CEAERO C[C@H](NC(=O)C[C@H]1CSCC[NH2+]1)c1ccccc1F ZINC000091135398 180103626 /nfs/dbraw/zinc/10/36/26/180103626.db2.gz BWTIGGPYHJLAJM-QWRGUYRKSA-N 1 0 282.384 2.098 10 0 CEAERO Cc1nc(C)c([C@@H](C)NC(=O)C[C@H]2CSCC[NH2+]2)s1 ZINC000091137827 180105378 /nfs/dbraw/zinc/10/53/78/180105378.db2.gz JHUBHAPYEJKZMT-KOLCDFICSA-N 1 0 299.465 2.032 10 0 CEAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[NH2+]CC[C@@H]12 ZINC000669383043 539765794 /nfs/dbraw/zinc/76/57/94/539765794.db2.gz VNXYOOGMTOVYAD-IJLUTSLNSA-N 1 0 254.374 2.289 10 0 CEAERO C[C@@H]1C[C@H](c2ccncc2NC(=O)C(F)(F)F)CC[NH2+]1 ZINC000669385007 539766022 /nfs/dbraw/zinc/76/60/22/539766022.db2.gz RYVWMPAVOKWVSK-RKDXNWHRSA-N 1 0 287.285 2.438 10 0 CEAERO CC(C)(C)NC(=O)C[C@H](CN)[N@@H+]1CCCC(C)(C)CC1 ZINC000091321749 180134804 /nfs/dbraw/zinc/13/48/04/180134804.db2.gz DRHUXFOCGXNQSB-CYBMUJFWSA-N 1 0 283.460 2.131 10 0 CEAERO CN(CCc1cccs1)C(=O)C[NH2+]C(C)(C)C ZINC000091326563 180135227 /nfs/dbraw/zinc/13/52/27/180135227.db2.gz IPZOYBXFJCMBKK-UHFFFAOYSA-N 1 0 254.399 2.137 10 0 CEAERO C[NH2+]Cc1cnn(-c2ccc(OC)cc2)c1C1CC1 ZINC000091338742 180136675 /nfs/dbraw/zinc/13/66/75/180136675.db2.gz CVKWBYUUUNCAQQ-UHFFFAOYSA-N 1 0 257.337 2.478 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)C1CC1 ZINC000091359522 180140597 /nfs/dbraw/zinc/14/05/97/180140597.db2.gz QUWLLHPGOGIUAS-PYJNHQTQSA-N 1 0 250.386 2.212 10 0 CEAERO Cc1cc(C)nc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)n1 ZINC000091359176 180140631 /nfs/dbraw/zinc/14/06/31/180140631.db2.gz AWNVMKDTFCPFDL-IHRRRGAJSA-N 1 0 288.395 2.343 10 0 CEAERO COCCN(CC(C)C)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091360006 180141110 /nfs/dbraw/zinc/14/11/10/180141110.db2.gz ZICFKNGLGRKHIJ-JYJNAYRXSA-N 1 0 296.455 2.428 10 0 CEAERO CCOC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000091360484 180141216 /nfs/dbraw/zinc/14/12/16/180141216.db2.gz CTJNLKFXHLUSJO-BPUTZDHNSA-N 1 0 294.439 2.325 10 0 CEAERO COC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)C(C)C ZINC000091361681 180141589 /nfs/dbraw/zinc/14/15/89/180141589.db2.gz CMKNLTAQJYLYEP-AJNGGQMLSA-N 1 0 282.428 2.084 10 0 CEAERO C[C@@H]1CN(C[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)CCCO1 ZINC000091362775 180141903 /nfs/dbraw/zinc/14/19/03/180141903.db2.gz SHIUCZRCVWQFQP-UGUYLWEFSA-N 1 0 266.429 2.408 10 0 CEAERO [NH3+]C[C@@H](c1cncn1C1CC1)N1CCc2sccc2C1 ZINC000091276165 180118513 /nfs/dbraw/zinc/11/85/13/180118513.db2.gz FZCXOKYJIVJUPS-ZDUSSCGKSA-N 1 0 288.420 2.338 10 0 CEAERO CC(C)N1C(=O)CCC[C@H]([NH3+])[C@H]1c1cncn1C1CC1 ZINC000091275597 180118594 /nfs/dbraw/zinc/11/85/94/180118594.db2.gz VSSMVMGRYIVVJY-WFASDCNBSA-N 1 0 276.384 2.007 10 0 CEAERO CCC[NH2+][C@@H](CC(=O)OCC)c1cncn1C1CC1 ZINC000091277904 180121410 /nfs/dbraw/zinc/12/14/10/180121410.db2.gz NBXQTXGWSCAQSD-LBPRGKRZSA-N 1 0 265.357 2.212 10 0 CEAERO CC[C@@H](NC(=O)C[C@H]1CSCC[NH2+]1)c1ccccc1 ZINC000091290948 180123076 /nfs/dbraw/zinc/12/30/76/180123076.db2.gz GOVAGWJZIPKFCR-UONOGXRCSA-N 1 0 278.421 2.349 10 0 CEAERO CCCn1c(C[C@@H]2C[NH2+]CCO2)nc2cc(F)ccc21 ZINC000091293215 180124313 /nfs/dbraw/zinc/12/43/13/180124313.db2.gz AJDBXWBFXRVTFK-GFCCVEGCSA-N 1 0 277.343 2.116 10 0 CEAERO COc1ccc([C@H](O)[C@H](C)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091431194 180153729 /nfs/dbraw/zinc/15/37/29/180153729.db2.gz CYPMCIBSPLUPHE-JLJPHGGASA-N 1 0 292.423 2.143 10 0 CEAERO OC1CC([NH2+][C@@H]2CCc3cc(Br)ccc3C2)C1 ZINC000091431169 180153744 /nfs/dbraw/zinc/15/37/44/180153744.db2.gz WFTZRCQQJSVPEH-IYXRBSQSSA-N 1 0 296.208 2.419 10 0 CEAERO C[NH+]1CCC(OC(=O)c2ccc(Br)nc2)CC1 ZINC000091448845 180157230 /nfs/dbraw/zinc/15/72/30/180157230.db2.gz QLGPTVMPWJZZHL-UHFFFAOYSA-N 1 0 299.168 2.095 10 0 CEAERO Cc1ccccc1[C@H]([C@@H](C)N)[N@H+](C)CC1CC(O)C1 ZINC000091451472 180158553 /nfs/dbraw/zinc/15/85/53/180158553.db2.gz UBMNEJBWVUTZQB-WOICTCIZSA-N 1 0 262.397 2.086 10 0 CEAERO CCCN(C(=O)c1ccncc1Cl)[C@H]1CCC[NH2+]C1 ZINC000091456976 180160473 /nfs/dbraw/zinc/16/04/73/180160473.db2.gz OFCFIJMVQSQVBM-NSHDSACASA-N 1 0 281.787 2.339 10 0 CEAERO C[C@H]([NH3+])c1c(F)cccc1N(C)CC1CC(O)C1 ZINC000091460526 180161241 /nfs/dbraw/zinc/16/12/41/180161241.db2.gz PVGOECMKZADKEY-WHXUTIOJSA-N 1 0 252.333 2.053 10 0 CEAERO CCOc1ccccc1OCCOC1CC(C[NH3+])C1 ZINC000091461430 180161291 /nfs/dbraw/zinc/16/12/91/180161291.db2.gz QGZICUMQWJXXRD-UHFFFAOYSA-N 1 0 265.353 2.218 10 0 CEAERO COc1ccc(C)cc1C[C@H](O)C[NH2+]C(C)(C)C ZINC000091466993 180164123 /nfs/dbraw/zinc/16/41/23/180164123.db2.gz GZSKXAPIFKAAPO-ZDUSSCGKSA-N 1 0 251.370 2.295 10 0 CEAERO CC(C)(C)[NH2+]C[C@@H](O)CCc1ccc2c(c1)CCO2 ZINC000091467360 180164549 /nfs/dbraw/zinc/16/45/49/180164549.db2.gz LFSRCCCSRXACKW-AWEZNQCLSA-N 1 0 263.381 2.303 10 0 CEAERO CC(C)[NH2+]CC[C@@](C)(O)Cc1ccncc1Cl ZINC000091468122 180164942 /nfs/dbraw/zinc/16/49/42/180164942.db2.gz IWUURWIVLOQCNG-CYBMUJFWSA-N 1 0 256.777 2.417 10 0 CEAERO Cc1cc(C)c(C(=O)N(C)CC2CC([NH3+])C2)c(C)c1 ZINC000091470831 180164978 /nfs/dbraw/zinc/16/49/78/180164978.db2.gz XZLFCNNNHRIJJP-UHFFFAOYSA-N 1 0 260.381 2.421 10 0 CEAERO CC1(C)C(C(=O)N[C@H]2CCCCC[C@H]2[NH3+])C1(C)C ZINC000091492719 180170711 /nfs/dbraw/zinc/17/07/11/180170711.db2.gz FLXMGMCLXBJFMM-MNOVXSKESA-N 1 0 252.402 2.445 10 0 CEAERO Cc1ncccc1NC(=O)[C@@H](C[NH3+])Cc1ccccc1 ZINC000091496134 180170998 /nfs/dbraw/zinc/17/09/98/180170998.db2.gz VVMWFZWJLSZTIC-CQSZACIVSA-N 1 0 269.348 2.146 10 0 CEAERO CCCC1(C(=O)Nc2cccnc2C)CC[NH2+]CC1 ZINC000091497117 180172682 /nfs/dbraw/zinc/17/26/82/180172682.db2.gz GZEXCJQRXJDMJM-UHFFFAOYSA-N 1 0 261.369 2.498 10 0 CEAERO Cc1cccc(C(=O)CN2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000091391587 180144931 /nfs/dbraw/zinc/14/49/31/180144931.db2.gz IFGRSLIGLRXZNR-OAHLLOKOSA-N 1 0 260.381 2.204 10 0 CEAERO CCC(=O)Nc1ccc(Cl)c(NC2C[NH2+]C2)c1 ZINC000091394347 180146398 /nfs/dbraw/zinc/14/63/98/180146398.db2.gz WAMVCKLITCRORR-UHFFFAOYSA-N 1 0 253.733 2.072 10 0 CEAERO CCC[NH2+][C@H](C)C(C)(C)CN(C)Cc1nccn1C ZINC000091404870 180147009 /nfs/dbraw/zinc/14/70/09/180147009.db2.gz QPBBWSCQNWIYKN-CYBMUJFWSA-N 1 0 266.433 2.266 10 0 CEAERO CCC(CC)[C@H](NC(=O)C1C[NH2+]C1)c1ccccc1 ZINC000091408870 180148295 /nfs/dbraw/zinc/14/82/95/180148295.db2.gz PSLBOUPKCFYMNJ-HNNXBMFYSA-N 1 0 260.381 2.500 10 0 CEAERO OC1CC(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000091416077 180149573 /nfs/dbraw/zinc/14/95/73/180149573.db2.gz OQJZTBGAEXAGQY-WIFZPCQCSA-N 1 0 251.292 2.468 10 0 CEAERO CCN(c1cncc(C[NH2+]CC(C)C)n1)[C@@H](C)COC ZINC000091419849 180150665 /nfs/dbraw/zinc/15/06/65/180150665.db2.gz HFDXDZCQXAEHCZ-ZDUSSCGKSA-N 1 0 280.416 2.083 10 0 CEAERO CCc1nccn1-c1cncc(C[NH2+]C(C)(C)C)n1 ZINC000091422479 180151102 /nfs/dbraw/zinc/15/11/02/180151102.db2.gz GSMKRUJJGUDWLJ-UHFFFAOYSA-N 1 0 259.357 2.113 10 0 CEAERO [NH3+]Cc1cncc(N2CCCCc3ccccc32)n1 ZINC000091422092 180151244 /nfs/dbraw/zinc/15/12/44/180151244.db2.gz AKTXLHYVISPSKH-UHFFFAOYSA-N 1 0 254.337 2.410 10 0 CEAERO C[C@@H]1CCCCCN1c1cncc(C[NH2+]C2CC2)n1 ZINC000091421902 180151335 /nfs/dbraw/zinc/15/13/35/180151335.db2.gz UAQWEQBKHJDFAY-GFCCVEGCSA-N 1 0 260.385 2.498 10 0 CEAERO Cc1ccccc1CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105085750 186040548 /nfs/dbraw/zinc/04/05/48/186040548.db2.gz MECPZDPJDJVWNN-INIZCTEOSA-N 1 0 287.407 2.375 10 0 CEAERO CC(C)(C(=O)Cc1cccnc1N)[NH+]1CCCCC1 ZINC000091563860 180192495 /nfs/dbraw/zinc/19/24/95/180192495.db2.gz POLBACSLTRLCSB-UHFFFAOYSA-N 1 0 261.369 2.040 10 0 CEAERO CC[NH2+][C@@H](Cc1ccnc(N)c1)C(C)(C)N1CCCCC1 ZINC000091565070 180193764 /nfs/dbraw/zinc/19/37/64/180193764.db2.gz UPUIZLWKTYJOKU-HNNXBMFYSA-N 1 0 290.455 2.449 10 0 CEAERO C[NH2+][C@@H](c1ccsc1)C(C)(C)N1CCOCC1 ZINC000091566454 180193920 /nfs/dbraw/zinc/19/39/20/180193920.db2.gz NLDPMRUADAQWFM-LBPRGKRZSA-N 1 0 254.399 2.119 10 0 CEAERO CC(C)([C@H]([NH3+])CCCc1ccccc1)N1CCOCC1 ZINC000091566405 180193937 /nfs/dbraw/zinc/19/39/37/180193937.db2.gz KAOVZJULFAONMC-MRXNPFEDSA-N 1 0 276.424 2.447 10 0 CEAERO C[NH2+][C@@H](CCc1cccs1)C(C)(C)N1CCOCC1 ZINC000091566547 180194114 /nfs/dbraw/zinc/19/41/14/180194114.db2.gz YNSUPGQZMQMMND-AWEZNQCLSA-N 1 0 282.453 2.380 10 0 CEAERO C[NH2+][C@@H](c1ccccc1F)C(C)(C)N1CCOCC1 ZINC000091566593 180194169 /nfs/dbraw/zinc/19/41/69/180194169.db2.gz ZBRDKHJZCQAYJV-AWEZNQCLSA-N 1 0 266.360 2.197 10 0 CEAERO CC[NH2+][C@@H](Cc1cc(CC)nn1C)[C@](C)(CC)N(C)C ZINC000091571374 180196269 /nfs/dbraw/zinc/19/62/69/180196269.db2.gz OFTOORVXQSAZHK-HOTGVXAUSA-N 1 0 280.460 2.233 10 0 CEAERO CC[NH2+][C@H](c1cnn(CC)c1)[C@](C)(CC)N(C)C ZINC000091571512 180196371 /nfs/dbraw/zinc/19/63/71/180196371.db2.gz ZYJNZNJYSULYLI-KGLIPLIRSA-N 1 0 252.406 2.284 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@@H](O)Cc1ncnn1CC(C)C ZINC000091573134 180196553 /nfs/dbraw/zinc/19/65/53/180196553.db2.gz ONJCAZXOZVDOLD-HOCLYGCPSA-N 1 0 296.459 2.348 10 0 CEAERO CC[NH2+][C@@H](c1cnn(CC)c1)[C@@](C)(CC)N(C)C ZINC000091571515 180196570 /nfs/dbraw/zinc/19/65/70/180196570.db2.gz ZYJNZNJYSULYLI-UONOGXRCSA-N 1 0 252.406 2.284 10 0 CEAERO CCCc1nn(C)c(N[C@@H](C)C[NH+](CC)CC)c1N ZINC000091577187 180197975 /nfs/dbraw/zinc/19/79/75/180197975.db2.gz WTLXIDIQBMUVOE-NSHDSACASA-N 1 0 267.421 2.097 10 0 CEAERO CCN[C@@H](c1ccnn1C)[C@](C)(CC)[NH+]1CCCC1 ZINC000091607391 180203850 /nfs/dbraw/zinc/20/38/50/180203850.db2.gz UHKPJJBVGPGNPW-GJZGRUSLSA-N 1 0 264.417 2.335 10 0 CEAERO CC[NH2+][C@H](Cc1cnccc1N)[C@](C)(CC)N1CCCC1 ZINC000091607205 180204204 /nfs/dbraw/zinc/20/42/04/180204204.db2.gz WUVKKVNXISOLNP-SJORKVTESA-N 1 0 290.455 2.449 10 0 CEAERO CC[NH2+][C@@H](Cc1ncnn1CC)[C@](C)(CC)N1CCCC1 ZINC000091607583 180204417 /nfs/dbraw/zinc/20/44/17/180204417.db2.gz ITJHFITWVHKMQG-HOCLYGCPSA-N 1 0 293.459 2.083 10 0 CEAERO CCCn1ncnc1C[C@@H]([NH2+]C)[C@@](C)(CC)N1CCCC1 ZINC000091606871 180204649 /nfs/dbraw/zinc/20/46/49/180204649.db2.gz RYKOOCJYUZPBTO-GDBMZVCRSA-N 1 0 293.459 2.083 10 0 CEAERO CCn1cc(C[C@@H](N)[C@@](C)(CC)[NH+]2CCCC2)cn1 ZINC000091605034 180204655 /nfs/dbraw/zinc/20/46/55/180204655.db2.gz CZDYLQNQVZCHMR-HUUCEWRRSA-N 1 0 264.417 2.037 10 0 CEAERO CC[C@](C)([C@@H](Cc1ccnc(N)c1)[NH2+]C)N1CCCCC1 ZINC000091609642 180204974 /nfs/dbraw/zinc/20/49/74/180204974.db2.gz HHGHCIRONNKFGQ-NVXWUHKLSA-N 1 0 290.455 2.449 10 0 CEAERO CC[C@](C)([C@@H]([NH2+]C)c1cnccn1)N1CCCCC1 ZINC000091609668 180205264 /nfs/dbraw/zinc/20/52/64/180205264.db2.gz VHYSBZPQZHTMLT-LSDHHAIUSA-N 1 0 262.401 2.392 10 0 CEAERO CC[C@@](C)([C@H](O)c1nccn1C)[NH+]1CCCCC1 ZINC000091608785 180205948 /nfs/dbraw/zinc/20/59/48/180205948.db2.gz ACZUBWCHLVIFII-OCCSQVGLSA-N 1 0 251.374 2.108 10 0 CEAERO CC[C@](C)([C@H]([NH3+])c1ccc(C)cc1)N1CCOCC1 ZINC000091611654 180206461 /nfs/dbraw/zinc/20/64/61/180206461.db2.gz IDORQKXWNVHMDC-HZPDHXFCSA-N 1 0 262.397 2.496 10 0 CEAERO CC[C@](C)([C@H]([NH3+])Cc1ccc(C)cc1)N1CCOCC1 ZINC000091611742 180206737 /nfs/dbraw/zinc/20/67/37/180206737.db2.gz SQIXEQPRSHHNIK-IAGOWNOFSA-N 1 0 276.424 2.366 10 0 CEAERO CC[C@@](C)([C@H](O)C1CCCCC1)[NH+]1CCOCC1 ZINC000091611253 180206834 /nfs/dbraw/zinc/20/68/34/180206834.db2.gz KEXHYQGTMOEXDX-CABCVRRESA-N 1 0 255.402 2.429 10 0 CEAERO CC[C@@](C)([C@@H](O)Cc1ccccc1C)[NH+]1CCOCC1 ZINC000091611271 180206840 /nfs/dbraw/zinc/20/68/40/180206840.db2.gz YGGPNNZQRBALMO-IRXDYDNUSA-N 1 0 277.408 2.399 10 0 CEAERO CC[C@@](C)([C@H](CCC(F)(F)F)[NH2+]C)N1CCOCC1 ZINC000091612703 180207182 /nfs/dbraw/zinc/20/71/82/180207182.db2.gz HVIWTDVXDYTQRD-RYUDHWBXSA-N 1 0 282.350 2.418 10 0 CEAERO CC[C@](C)([C@H]([NH2+]C)c1ccoc1)N1CCOCC1 ZINC000091612630 180207495 /nfs/dbraw/zinc/20/74/95/180207495.db2.gz XPJYHSHDDHTVSS-ZIAGYGMSSA-N 1 0 252.358 2.041 10 0 CEAERO CC[C@@](C)([C@H]([NH3+])Cc1ccc(F)cc1)N1CCOCC1 ZINC000091612005 180207500 /nfs/dbraw/zinc/20/75/00/180207500.db2.gz BYNMLOICFQFGOG-CVEARBPZSA-N 1 0 280.387 2.196 10 0 CEAERO CC[NH2+][C@@H](c1cnn(C)c1)C(CC)(CC)N(C)C ZINC000091614801 180207832 /nfs/dbraw/zinc/20/78/32/180207832.db2.gz CRXDBULUAZMGFR-ZDUSSCGKSA-N 1 0 252.406 2.191 10 0 CEAERO CCC(CC)([C@H]([NH2+]C)c1c(C)ccnc1N)N(C)C ZINC000091614302 180207945 /nfs/dbraw/zinc/20/79/45/180207945.db2.gz HKXJPIVFTIIGKV-CYBMUJFWSA-N 1 0 264.417 2.353 10 0 CEAERO CCC(CC)([C@H]([NH2+]C)c1cccnc1N)N(C)C ZINC000091614590 180207992 /nfs/dbraw/zinc/20/79/92/180207992.db2.gz UGYVUQZRPIPHQJ-GFCCVEGCSA-N 1 0 250.390 2.045 10 0 CEAERO COC(=O)[C@@]1(Nc2cc(C)cc(F)c2)CC[N@@H+](C2CC2)C1 ZINC000091514779 180176700 /nfs/dbraw/zinc/17/67/00/180176700.db2.gz DHLPFRSQISXFHW-MRXNPFEDSA-N 1 0 292.354 2.326 10 0 CEAERO CCCc1ccc([C@](C)(O)CC[NH2+]CCOC)cc1 ZINC000091521495 180178075 /nfs/dbraw/zinc/17/80/75/180178075.db2.gz DISKWFFVLAUVEH-MRXNPFEDSA-N 1 0 265.397 2.473 10 0 CEAERO CC[C@@H]([NH2+]CC1CC(O)C1)c1ccc2c(c1)CCO2 ZINC000091525597 180179007 /nfs/dbraw/zinc/17/90/07/180179007.db2.gz WBIIUQQUDHILCW-WDIPEOLASA-N 1 0 261.365 2.433 10 0 CEAERO CCn1nc(C)c(Cl)c1C[C@@H](O)C(C)(C)[NH+](C)C ZINC000091528344 180179602 /nfs/dbraw/zinc/17/96/02/180179602.db2.gz VLFOSDCDYNAEQL-LLVKDONJSA-N 1 0 273.808 2.108 10 0 CEAERO COc1ccc(C)cc1C[C@H](O)C(C)(C)[NH+](C)C ZINC000091528155 180179803 /nfs/dbraw/zinc/17/98/03/180179803.db2.gz UMEPJHZMUIOPIP-AWEZNQCLSA-N 1 0 251.370 2.247 10 0 CEAERO COc1ccc(CC[C@H](O)C(C)(C)[NH+](C)C)cc1 ZINC000091528172 180179949 /nfs/dbraw/zinc/17/99/49/180179949.db2.gz YREHULXIUWZEBS-AWEZNQCLSA-N 1 0 251.370 2.329 10 0 CEAERO CCOC(=O)c1ccoc1C[N@H+](CC)CC(C)(C)O ZINC000091527947 180179994 /nfs/dbraw/zinc/17/99/94/180179994.db2.gz TUQBHXWILFXFPB-UHFFFAOYSA-N 1 0 269.341 2.049 10 0 CEAERO CCC(CC)n1ccc(C[C@@H](N)C(C)(C)[NH+](C)C)n1 ZINC000091528388 180180089 /nfs/dbraw/zinc/18/00/89/180180089.db2.gz LFFOSRVONHTMIE-CQSZACIVSA-N 1 0 266.433 2.454 10 0 CEAERO C[NH2+][C@@H](Cc1ncc(C)c(OC)c1C)C(C)(C)N(C)C ZINC000091528597 180180390 /nfs/dbraw/zinc/18/03/90/180180390.db2.gz PMDFXRVSSZODRW-AWEZNQCLSA-N 1 0 279.428 2.178 10 0 CEAERO COc1cccc(C[C@H](N)C(C)(C)[NH+]2CCCC2)c1 ZINC000091534074 180181385 /nfs/dbraw/zinc/18/13/85/180181385.db2.gz VCARLHWRXVPJFN-HNNXBMFYSA-N 1 0 262.397 2.439 10 0 CEAERO CCn1nc(C)cc1C[C@H]([NH2+]C)C(C)(C)N1CCCC1 ZINC000091534697 180182414 /nfs/dbraw/zinc/18/24/14/180182414.db2.gz FOOXXFYHGJKPHX-HNNXBMFYSA-N 1 0 278.444 2.216 10 0 CEAERO CC[NH2+][C@@H](c1cnn(CC)c1)C(C)(C)N1CCCC1 ZINC000091535766 180182606 /nfs/dbraw/zinc/18/26/06/180182606.db2.gz PYQHVRSIAHAWMO-AWEZNQCLSA-N 1 0 264.417 2.428 10 0 CEAERO [NH3+][C@H]1CC[C@@H](C(=O)Nc2cc3c(cc2Cl)OCO3)C1 ZINC000091541033 180183758 /nfs/dbraw/zinc/18/37/58/180183758.db2.gz HCNQHWOCYGYADD-SFYZADRCSA-N 1 0 282.727 2.135 10 0 CEAERO CN(C(=O)[C@@H]1CC[C@H]([NH3+])C1)C1C2CC3CC(C2)CC1C3 ZINC000091542264 180184269 /nfs/dbraw/zinc/18/42/69/180184269.db2.gz CDPPCTLRUMWRCH-PGOZJSOXSA-N 1 0 276.424 2.397 10 0 CEAERO CCCCCC[C@@H](C)[NH2+][C@H]1CC(=O)N(C2CC2)C1=O ZINC000105039915 186038338 /nfs/dbraw/zinc/03/83/38/186038338.db2.gz SYRIXMSPUNUVGN-YPMHNXCESA-N 1 0 266.385 2.225 10 0 CEAERO CCC1CCC(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000091546381 180187109 /nfs/dbraw/zinc/18/71/09/180187109.db2.gz YQXIBMNFYGVFSI-CLRIEMFWSA-N 1 0 252.402 2.446 10 0 CEAERO [NH3+][C@H]1CC[C@H](C(=O)Nc2c(F)cc(F)cc2F)C1 ZINC000091546518 180187125 /nfs/dbraw/zinc/18/71/25/180187125.db2.gz MVOPTMDZWFGRTL-XPUUQOCRSA-N 1 0 258.243 2.170 10 0 CEAERO CCN(Cc1cccc(C)c1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091548273 180188152 /nfs/dbraw/zinc/18/81/52/180188152.db2.gz IVFVLGDKKCJZDF-GJZGRUSLSA-N 1 0 260.381 2.471 10 0 CEAERO CCn1ncnc1C[C@H]([NH2+]C)C(CC)(CC)N1CCCC1 ZINC000091635303 180211200 /nfs/dbraw/zinc/21/12/00/180211200.db2.gz DJHFODZMFLFZNV-AWEZNQCLSA-N 1 0 293.459 2.083 10 0 CEAERO CCN[C@@H](c1nccn1CC)C1([NH+](C)C)CCCC1 ZINC000091638133 180212628 /nfs/dbraw/zinc/21/26/28/180212628.db2.gz BPEMUEFQPCIAEB-ZDUSSCGKSA-N 1 0 264.417 2.428 10 0 CEAERO Cn1nccc1[C@@H](N)C1([NH+]2CCCCC2)CCCC1 ZINC000091641958 180212905 /nfs/dbraw/zinc/21/29/05/180212905.db2.gz XORAZSIDTDNXPA-CQSZACIVSA-N 1 0 262.401 2.219 10 0 CEAERO Nc1ccncc1[C@@H](N)C1([NH+]2CCCCC2)CCCC1 ZINC000091641892 180212990 /nfs/dbraw/zinc/21/29/90/180212990.db2.gz ZBVIGMWXIGBCFF-OAHLLOKOSA-N 1 0 274.412 2.462 10 0 CEAERO O[C@@H](Cc1ccc(F)cc1)C1([NH+]2CCOCC2)CCCC1 ZINC000091642766 180213748 /nfs/dbraw/zinc/21/37/48/180213748.db2.gz BNMARVIXXSVRDS-INIZCTEOSA-N 1 0 293.382 2.374 10 0 CEAERO O[C@@H](Cc1cccc(F)c1)C1([NH+]2CCOCC2)CCCC1 ZINC000091642565 180214275 /nfs/dbraw/zinc/21/42/75/180214275.db2.gz RABMFNBFXDXQMY-INIZCTEOSA-N 1 0 293.382 2.374 10 0 CEAERO C[NH2+][C@@H](CC1CC1)C1(N2CCOCC2)CCCC1 ZINC000091643197 180214321 /nfs/dbraw/zinc/21/43/21/180214321.db2.gz HGFSXKCYJWSYTD-AWEZNQCLSA-N 1 0 252.402 2.020 10 0 CEAERO C[NH2+][C@@H](Cc1ccncc1)C1(N(C)C)CCCCC1 ZINC000091647654 180215243 /nfs/dbraw/zinc/21/52/43/180215243.db2.gz QJKVIPDSLPEKRE-HNNXBMFYSA-N 1 0 261.413 2.477 10 0 CEAERO Cc1cc(CC(=O)C2([NH+](C)C)CCCCC2)n(C)n1 ZINC000091646407 180215372 /nfs/dbraw/zinc/21/53/72/180215372.db2.gz XBJUGTYHLAQUOS-UHFFFAOYSA-N 1 0 263.385 2.105 10 0 CEAERO CCn1cc(CC(=O)C2([NH+](C)C)CCCCC2)cn1 ZINC000091646426 180215444 /nfs/dbraw/zinc/21/54/44/180215444.db2.gz KTHZEDTVQHEZLO-UHFFFAOYSA-N 1 0 263.385 2.279 10 0 CEAERO C[C@H]1CCC[C@](C(=O)Cc2ccnc(N)c2)([NH+](C)C)C1 ZINC000091649794 180216274 /nfs/dbraw/zinc/21/62/74/180216274.db2.gz SGUTYDHLLZCSJA-LRDDRELGSA-N 1 0 275.396 2.286 10 0 CEAERO C[C@@H]1CCC[C@](C(=O)c2cccnc2N)([NH+](C)C)C1 ZINC000091649641 180216593 /nfs/dbraw/zinc/21/65/93/180216593.db2.gz GZYPGEDAYURBLC-ABAIWWIYSA-N 1 0 261.369 2.357 10 0 CEAERO C[NH+](C)C1([C@@H](N)c2cccnc2N)CCCCCC1 ZINC000091654345 180217087 /nfs/dbraw/zinc/21/70/87/180217087.db2.gz XOMBPVCQBWTIIY-ZDUSSCGKSA-N 1 0 262.401 2.318 10 0 CEAERO Cc1ccnc(N)c1[C@H](N)[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000091651970 180217189 /nfs/dbraw/zinc/21/71/89/180217189.db2.gz GXSRVCZIIUCYKU-HZUKXOBISA-N 1 0 276.428 2.483 10 0 CEAERO Cc1cnc(Cl)nc1NC[C@@H]1CCC[N@@H+](C)C1 ZINC000091658750 180218888 /nfs/dbraw/zinc/21/88/88/180218888.db2.gz CSDQQIYBCMNMAT-JTQLQIEISA-N 1 0 254.765 2.192 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2nc(Cl)ncc2C)C1 ZINC000091658472 180219032 /nfs/dbraw/zinc/21/90/32/180219032.db2.gz DOTOYSDSGPMXNO-SNVBAGLBSA-N 1 0 254.765 2.335 10 0 CEAERO CCc1ccccc1C[NH2+]C[C@H]1CN2CCC[C@@H]2CO1 ZINC000091662604 180219371 /nfs/dbraw/zinc/21/93/71/180219371.db2.gz GYWGJVHPKBHUHO-SJORKVTESA-N 1 0 274.408 2.202 10 0 CEAERO CN1CCO[C@H](C[NH2+][C@@H]2CCCC(C)(C)CC2)C1 ZINC000091667123 180223165 /nfs/dbraw/zinc/22/31/65/180223165.db2.gz ZHTJYRGJHRMLEH-ZIAGYGMSSA-N 1 0 254.418 2.266 10 0 CEAERO CN(C(=O)OC(C)(C)C)c1cccc(CC2C[NH2+]C2)n1 ZINC000091692602 180228255 /nfs/dbraw/zinc/22/82/55/180228255.db2.gz BOPNMIRQVUHRQA-UHFFFAOYSA-N 1 0 277.368 2.215 10 0 CEAERO Cc1ccc(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(C)c1 ZINC000091714070 180231693 /nfs/dbraw/zinc/23/16/93/180231693.db2.gz YYNRVDWXHTUTDP-UKRRQHHQSA-N 1 0 259.349 2.349 10 0 CEAERO CCN[C@@H](CC[NH+](CC)CC)c1cc(C)cnc1N ZINC000091716430 180232027 /nfs/dbraw/zinc/23/20/27/180232027.db2.gz GPTJZJHSSIIQSL-AWEZNQCLSA-N 1 0 264.417 2.355 10 0 CEAERO CC[NH+](CC)CC[C@H](N)c1cc(OC)ccc1OC ZINC000091715942 180232355 /nfs/dbraw/zinc/23/23/55/180232355.db2.gz AQRCVVUSDBBHBF-AWEZNQCLSA-N 1 0 266.385 2.436 10 0 CEAERO CC[NH2+][C@H](c1ccc(C)s1)[C@H]1CN(C)CCO1 ZINC000091718897 180233264 /nfs/dbraw/zinc/23/32/64/180233264.db2.gz PJEOQDDGSMMELV-YPMHNXCESA-N 1 0 254.399 2.038 10 0 CEAERO CCC[NH2+][C@H](Cc1ccccc1F)[C@H]1CN(C)CCO1 ZINC000091718925 180233332 /nfs/dbraw/zinc/23/33/32/180233332.db2.gz FHSWFFJELKHTDM-HZPDHXFCSA-N 1 0 280.387 2.067 10 0 CEAERO C[NH2+][C@@H](c1cccc2ccccc21)[C@@H]1CN(C)CCO1 ZINC000091718114 180233351 /nfs/dbraw/zinc/23/33/51/180233351.db2.gz CBCOUXINSFPOIV-IRXDYDNUSA-N 1 0 270.376 2.431 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccc(F)cc1)[C@H]1CN(C)CCO1 ZINC000091719360 180234227 /nfs/dbraw/zinc/23/42/27/180234227.db2.gz YINLFGNXYHABOM-JKSUJKDBSA-N 1 0 280.387 2.067 10 0 CEAERO CCC[NH2+][C@H](c1ccc(F)c(F)c1)[C@@H]1CN(C)CCO1 ZINC000091719283 180234275 /nfs/dbraw/zinc/23/42/75/180234275.db2.gz RFVLIMFCPWKXDB-LSDHHAIUSA-N 1 0 284.350 2.336 10 0 CEAERO CCC[NH2+][C@@H](c1cc(C)ccc1OC)[C@@H]1CN(C)CCO1 ZINC000091719506 180234311 /nfs/dbraw/zinc/23/43/11/180234311.db2.gz NBUNPKSOFOOPJV-IRXDYDNUSA-N 1 0 292.423 2.375 10 0 CEAERO CCC[NH2+][C@H](Cc1ccc(CC)cc1)[C@H]1CN(C)CCO1 ZINC000091718997 180234340 /nfs/dbraw/zinc/23/43/40/180234340.db2.gz UXOTUKVXUGNWLS-QZTJIDSGSA-N 1 0 290.451 2.490 10 0 CEAERO CCOc1ccc([C@H](CN(C)C)[NH2+]C)cc1OCC ZINC000091719631 180234343 /nfs/dbraw/zinc/23/43/43/180234343.db2.gz TUZWEKZSTXRCPQ-ZDUSSCGKSA-N 1 0 266.385 2.306 10 0 CEAERO CCC[NH2+][C@H](Cc1cc(C)ccc1OC)CN(C)C ZINC000091719879 180234428 /nfs/dbraw/zinc/23/44/28/180234428.db2.gz ILXGQBKJIBRJPS-OAHLLOKOSA-N 1 0 264.413 2.476 10 0 CEAERO CC(C)Oc1ccc([C@H]([NH3+])[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000091720276 180235809 /nfs/dbraw/zinc/23/58/09/180235809.db2.gz HNRFPSSRJRWJNL-OIISXLGYSA-N 1 0 290.407 2.337 10 0 CEAERO C[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1ccc2c(c1)CCCC2 ZINC000624235831 350239123 /nfs/dbraw/zinc/23/91/23/350239123.db2.gz QDEAGMYFTFKKIF-AFAVFJNCSA-N 1 0 275.392 2.366 10 0 CEAERO CC[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1cccc(F)c1 ZINC000624237697 350240500 /nfs/dbraw/zinc/24/05/00/350240500.db2.gz BRHVHUHFUVKQNK-MJBXVCDLSA-N 1 0 253.317 2.016 10 0 CEAERO CCOc1ccccc1[C@H](NC)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721396 180238972 /nfs/dbraw/zinc/23/89/72/180238972.db2.gz XOHPEXJUNGNECL-COXVUDFISA-N 1 0 290.407 2.209 10 0 CEAERO CCc1ccc(C(=O)NC[C@@H]([NH3+])c2ccccc2)o1 ZINC000091762566 180248159 /nfs/dbraw/zinc/24/81/59/180248159.db2.gz FIIFBBOQTVQLSP-CYBMUJFWSA-N 1 0 258.321 2.272 10 0 CEAERO Cc1ccc(C)n1NC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000091787765 180256307 /nfs/dbraw/zinc/25/63/07/180256307.db2.gz PMVSZPLNJVCLKZ-HNNXBMFYSA-N 1 0 257.337 2.049 10 0 CEAERO CC[NH2+][C@H](Cc1ccsc1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721795 180240429 /nfs/dbraw/zinc/24/04/29/180240429.db2.gz ITIOPNRZRALDPU-RBSFLKMASA-N 1 0 280.437 2.132 10 0 CEAERO CCCOc1cccc(C[NH2+]CCc2nc(C)no2)c1 ZINC000105469413 186059761 /nfs/dbraw/zinc/05/97/61/186059761.db2.gz GBYHIOYIGDYNMT-UHFFFAOYSA-N 1 0 275.352 2.499 10 0 CEAERO CCC[NH2+][C@@H](C)[C@@H](c1nc(CN(C)C)no1)C(C)C ZINC000091747679 180244868 /nfs/dbraw/zinc/24/48/68/180244868.db2.gz JZYZKRHMAZMRKX-AAEUAGOBSA-N 1 0 268.405 2.259 10 0 CEAERO CC[NH2+][C@H]1CCCCC[C@@H]1c1nc(CN(C)C)no1 ZINC000091747612 180244941 /nfs/dbraw/zinc/24/49/41/180244941.db2.gz YVEJRCMCIVPDMA-RYUDHWBXSA-N 1 0 266.389 2.157 10 0 CEAERO CCCN(c1ncnc2c1CCC2)C1CCC([NH3+])CC1 ZINC000091852754 180273080 /nfs/dbraw/zinc/27/30/80/180273080.db2.gz AWPMWACZGOZFJV-UHFFFAOYSA-N 1 0 274.412 2.452 10 0 CEAERO CCCN(C(=O)[C@@H]1CCCS1)C1CCC([NH3+])CC1 ZINC000091852073 180273092 /nfs/dbraw/zinc/27/30/92/180273092.db2.gz CRUGIZFENBOEJB-BPCQOVAHSA-N 1 0 270.442 2.391 10 0 CEAERO C[C@H]([NH3+])c1ccn(CCCOCC(F)(F)F)c1 ZINC000091803285 180259837 /nfs/dbraw/zinc/25/98/37/180259837.db2.gz PBJOKRJORNTWPG-VIFPVBQESA-N 1 0 250.264 2.477 10 0 CEAERO CC[C@H]([NH3+])c1ccn(CC(=O)N[C@@H](C)C(C)C)c1 ZINC000091816261 180262008 /nfs/dbraw/zinc/26/20/08/180262008.db2.gz UJCFJSWGRGIUNY-AAEUAGOBSA-N 1 0 251.374 2.059 10 0 CEAERO CC[C@@H]([NH2+]C)c1ccn(Cc2ncnn2C(C)C)c1 ZINC000091816958 180262712 /nfs/dbraw/zinc/26/27/12/180262712.db2.gz FTRASZUVUZQGEE-CYBMUJFWSA-N 1 0 261.373 2.379 10 0 CEAERO CC[NH2+][C@@H](CC)c1ccn(CC(=O)N[C@H](C)CC)c1 ZINC000091817123 180262991 /nfs/dbraw/zinc/26/29/91/180262991.db2.gz WJNFITXGDHRGLR-OCCSQVGLSA-N 1 0 265.401 2.463 10 0 CEAERO CCC[NH2+][C@@H](c1ccn(CCS(=O)(=O)CC)c1)C1CC1 ZINC000091839252 180268009 /nfs/dbraw/zinc/26/80/09/180268009.db2.gz NBANNRAHBWPDIP-OAHLLOKOSA-N 1 0 298.452 2.374 10 0 CEAERO CCN(C(=O)CC(F)(F)F)C1CCC([NH3+])CC1 ZINC000091850177 180272186 /nfs/dbraw/zinc/27/21/86/180272186.db2.gz HJNJJWGFBDFMOM-UHFFFAOYSA-N 1 0 252.280 2.057 10 0 CEAERO CCn1cncc1[C@@H](O)[C@@]1(C[NH3+])CCc2ccccc2C1 ZINC000091926158 180287673 /nfs/dbraw/zinc/28/76/73/180287673.db2.gz XKWZOHRIMCNPQC-SJORKVTESA-N 1 0 285.391 2.070 10 0 CEAERO CCn1cncc1[C@@H](O)C1(C[NH3+])CCC(C)CC1 ZINC000091926290 180287790 /nfs/dbraw/zinc/28/77/90/180287790.db2.gz RZNHOZJIOKYPKO-HRDQMINSSA-N 1 0 251.374 2.092 10 0 CEAERO C[C@@H]1CCC[C@H](CNC(=O)N2CCCCCC2)[NH2+]1 ZINC000091971211 180295113 /nfs/dbraw/zinc/29/51/13/180295113.db2.gz IPXPLLCDXYUQBL-CHWSQXEVSA-N 1 0 253.390 2.103 10 0 CEAERO CC[NH2+]Cc1ncoc1-c1cc(OC)c(OC)c(OC)c1 ZINC000091957848 180292046 /nfs/dbraw/zinc/29/20/46/180292046.db2.gz RRUOGMFAXMFQOU-UHFFFAOYSA-N 1 0 292.335 2.477 10 0 CEAERO CCN(CC)C(=O)NC1(C[NH3+])CCCCCCC1 ZINC000091961560 180293120 /nfs/dbraw/zinc/29/31/20/180293120.db2.gz MRZRGEWWAUXYNX-UHFFFAOYSA-N 1 0 255.406 2.480 10 0 CEAERO CC[NH2+]C1CCC(N(C)C(=O)CC(F)(F)F)CC1 ZINC000091869666 180276308 /nfs/dbraw/zinc/27/63/08/180276308.db2.gz DKWXNUXYUFWNFY-UHFFFAOYSA-N 1 0 266.307 2.318 10 0 CEAERO C[NH2+]C1CCC(N(C)S(=O)(=O)c2cccc(C)c2)CC1 ZINC000091869940 180277094 /nfs/dbraw/zinc/27/70/94/180277094.db2.gz YUQOBWDJGFIGPK-UHFFFAOYSA-N 1 0 296.436 2.146 10 0 CEAERO CCCn1cccc1C(=O)NC1CCC([NH2+]C)CC1 ZINC000091871756 180277804 /nfs/dbraw/zinc/27/78/04/180277804.db2.gz BNABAXXFHXKKIJ-UHFFFAOYSA-N 1 0 263.385 2.159 10 0 CEAERO C[NH2+]C1CCC(NC(=O)c2ccc(Cl)o2)CC1 ZINC000091871686 180277861 /nfs/dbraw/zinc/27/78/61/180277861.db2.gz ZTOOINDGRULFAQ-UHFFFAOYSA-N 1 0 256.733 2.193 10 0 CEAERO CC[NH2+]C1CCC(NC(=O)N2CCCCCC2)CC1 ZINC000091971141 180295032 /nfs/dbraw/zinc/29/50/32/180295032.db2.gz GXBOUTBWCGRHFI-UHFFFAOYSA-N 1 0 267.417 2.493 10 0 CEAERO CC(C)(C)C1CCC(C[NH3+])([C@]2(O)CCOC2)CC1 ZINC000091907778 180284161 /nfs/dbraw/zinc/28/41/61/180284161.db2.gz OMXVLLIJUMRPAB-ZALBZXLWSA-N 1 0 255.402 2.319 10 0 CEAERO CC[C@](C)(C[NH3+])[C@H](O)c1c(OC)cc(OC)cc1OC ZINC000091909148 180284560 /nfs/dbraw/zinc/28/45/60/180284560.db2.gz DJJOQWCUMOEYIO-HUUCEWRRSA-N 1 0 283.368 2.121 10 0 CEAERO COc1cc([C@@H](O)C2(C[NH3+])CCCC2)cc(OC)c1OC ZINC000091910204 180285262 /nfs/dbraw/zinc/28/52/62/180285262.db2.gz MHZLWXFTBPWANV-OAHLLOKOSA-N 1 0 295.379 2.265 10 0 CEAERO [NH3+]C[C@]1([C@H](O)c2cccc3ccccc32)CCOC1 ZINC000091910290 180285276 /nfs/dbraw/zinc/28/52/76/180285276.db2.gz URNSWMIQCIAWLQ-HZPDHXFCSA-N 1 0 257.333 2.239 10 0 CEAERO [NH3+]C[C@@]1([C@H](O)c2cccc(C(F)(F)F)c2)CCOC1 ZINC000091911864 180285335 /nfs/dbraw/zinc/28/53/35/180285335.db2.gz HATARTIGONQCIR-NEPJUHHUSA-N 1 0 275.270 2.104 10 0 CEAERO CC[C@](O)(C1CC1)[C@]1(C[NH3+])COc2ccccc2C1 ZINC000091921780 180286558 /nfs/dbraw/zinc/28/65/58/180286558.db2.gz INVXHOIAGPCLJB-CVEARBPZSA-N 1 0 261.365 2.118 10 0 CEAERO CC(C)[C@H]1C[C@@](O)(C2(C[NH3+])CCCCC2)CCO1 ZINC000091918821 180286753 /nfs/dbraw/zinc/28/67/53/180286753.db2.gz OOKGIGPUSVYAES-UKRRQHHQSA-N 1 0 255.402 2.462 10 0 CEAERO C[C@@H]1CCC[C@@]1(O)[C@@]1(C[NH3+])COc2ccccc2C1 ZINC000091922321 180286847 /nfs/dbraw/zinc/28/68/47/180286847.db2.gz PZRAGRLEXNNPHJ-KCXAZCMYSA-N 1 0 261.365 2.118 10 0 CEAERO CC[C@@H]1CC[C@@](C[NH3+])(C2(O)CCC3(CC2)OCCO3)C1 ZINC000091924477 180287119 /nfs/dbraw/zinc/28/71/19/180287119.db2.gz XISKBUKVBGOENT-ZIAGYGMSSA-N 1 0 283.412 2.190 10 0 CEAERO CC1(C)CCC(C[NH3+])(C2(O)CCC(=O)CC2)CC1 ZINC000091924530 180287350 /nfs/dbraw/zinc/28/73/50/180287350.db2.gz FRZIVHOSDKJXOT-UHFFFAOYSA-N 1 0 253.386 2.406 10 0 CEAERO CCn1cncc1[C@H](O)C1(C[NH3+])CCCCCC1 ZINC000091926267 180287392 /nfs/dbraw/zinc/28/73/92/180287392.db2.gz NLLYEBSTPCFJJY-ZDUSSCGKSA-N 1 0 251.374 2.236 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@@H](C)c2sc(C)nc2C)C1 ZINC000092052280 180312769 /nfs/dbraw/zinc/31/27/69/180312769.db2.gz IMDVGGKVFLWMBM-GWCFXTLKSA-N 1 0 283.441 2.131 10 0 CEAERO CCN1CCO[C@@H](COc2ccc(Cl)cc2[C@@H](C)[NH3+])C1 ZINC000092051235 180313342 /nfs/dbraw/zinc/31/33/42/180313342.db2.gz NVRYZSAIBLBKOQ-DGCLKSJQSA-N 1 0 298.814 2.459 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]CCC2CCCCC2)C1 ZINC000092052189 180313508 /nfs/dbraw/zinc/31/35/08/180313508.db2.gz YYSYAQIAARZEMA-HNNXBMFYSA-N 1 0 254.418 2.267 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1CNC(=O)N1CCCCCC1 ZINC000091971959 180295419 /nfs/dbraw/zinc/29/54/19/180295419.db2.gz QIIDPAQYNVPFOZ-QWHCGFSZSA-N 1 0 253.390 2.090 10 0 CEAERO CCC[NH2+]C1CCN(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000091972055 180295582 /nfs/dbraw/zinc/29/55/82/180295582.db2.gz HDASZPONMURMJJ-CYBMUJFWSA-N 1 0 267.417 2.302 10 0 CEAERO C[C@@H]1CC[C@@H](C[NH3+])CN1C(=O)N1CCCCCC1 ZINC000091971664 180295757 /nfs/dbraw/zinc/29/57/57/180295757.db2.gz VGJDMVVOMUAXJR-OLZOCXBDSA-N 1 0 253.390 2.042 10 0 CEAERO CC1CCC(C[NH3+])(NC(=O)N2CCC[C@H](C)C2)CC1 ZINC000091972816 180295864 /nfs/dbraw/zinc/29/58/64/180295864.db2.gz FQCSQHJGTPACEN-OWYJLGKBSA-N 1 0 267.417 2.336 10 0 CEAERO CCCN(C(=O)N1CCC(C)CC1)C(C)(C)C[NH3+] ZINC000091972922 180295957 /nfs/dbraw/zinc/29/59/57/180295957.db2.gz MSLLFMXGGMMFLF-UHFFFAOYSA-N 1 0 255.406 2.288 10 0 CEAERO CC1CCN(C(=O)N(C)C2(C[NH3+])CCCC2)CC1 ZINC000091972909 180296154 /nfs/dbraw/zinc/29/61/54/180296154.db2.gz FKFGSCUOYDVOSV-UHFFFAOYSA-N 1 0 253.390 2.042 10 0 CEAERO C[C@@H]1CCCN(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000091991028 180299874 /nfs/dbraw/zinc/29/98/74/180299874.db2.gz LPKFWGFISJVQPK-HIFRSBDPSA-N 1 0 279.428 2.302 10 0 CEAERO CC1CCN(C(=O)N[C@]2(C[NH3+])CCC[C@H](C)C2)CC1 ZINC000091993182 180300532 /nfs/dbraw/zinc/30/05/32/180300532.db2.gz XADLDBIPDODDPH-DZGCQCFKSA-N 1 0 267.417 2.336 10 0 CEAERO C[C@H]1CCCN(C(=O)N2CCC[C@H]2CCC[NH3+])C1 ZINC000091993195 180300561 /nfs/dbraw/zinc/30/05/61/180300561.db2.gz BYOFQFAMPJRBIU-QWHCGFSZSA-N 1 0 253.390 2.042 10 0 CEAERO CO[C@@H]1CCC[C@@H](Oc2ccc(C)nc2C[NH3+])C1 ZINC000091993763 180300896 /nfs/dbraw/zinc/30/08/96/180300896.db2.gz XOXIYNZNDYLHOB-VXGBXAGGSA-N 1 0 250.342 2.185 10 0 CEAERO CCCCNC(=O)[C@H](C)Oc1ccc(C)nc1C[NH2+]CC ZINC000091994878 180301276 /nfs/dbraw/zinc/30/12/76/180301276.db2.gz QKXMZYVZAIPVQD-ZDUSSCGKSA-N 1 0 293.411 2.183 10 0 CEAERO CCCCOCCOc1ccc(C)nc1C[NH2+]C ZINC000091994567 180301610 /nfs/dbraw/zinc/30/16/10/180301610.db2.gz UEKZFNAAMIWSKV-UHFFFAOYSA-N 1 0 252.358 2.305 10 0 CEAERO CCN(CC)C(=O)COc1ccc(C)nc1C[NH2+]C(C)C ZINC000091995354 180301828 /nfs/dbraw/zinc/30/18/28/180301828.db2.gz DMOPMKWEWTZSEM-UHFFFAOYSA-N 1 0 293.411 2.135 10 0 CEAERO CCc1noc(COc2ccc(C)nc2C[NH2+]C(C)C)n1 ZINC000091995531 180301855 /nfs/dbraw/zinc/30/18/55/180301855.db2.gz CJGYGISNBZWKRL-UHFFFAOYSA-N 1 0 290.367 2.412 10 0 CEAERO Cc1ccc(OCCC(=O)N(C)C)c(C[NH2+]C(C)(C)C)n1 ZINC000091996009 180302099 /nfs/dbraw/zinc/30/20/99/180302099.db2.gz URAHAOAFCKLIDT-UHFFFAOYSA-N 1 0 293.411 2.135 10 0 CEAERO Cc1ccc(OC[C@H](O)COC(C)C)c(C[NH2+]C(C)C)n1 ZINC000091995573 180302399 /nfs/dbraw/zinc/30/23/99/180302399.db2.gz PTKVJFHAWBCPIE-CQSZACIVSA-N 1 0 296.411 2.053 10 0 CEAERO COc1c(C[N@H+](CC(C)C)C2CC2)c(C)nn1C ZINC000092009116 180307073 /nfs/dbraw/zinc/30/70/73/180307073.db2.gz ZWXOFMWZXNAHAV-UHFFFAOYSA-N 1 0 251.374 2.358 10 0 CEAERO CC[NH2+][C@H](C)c1cccc(-n2ccc(C(=O)N(C)C)n2)c1 ZINC000092024201 180308620 /nfs/dbraw/zinc/30/86/20/180308620.db2.gz RMBWXAYFFKPQFD-GFCCVEGCSA-N 1 0 286.379 2.245 10 0 CEAERO Cc1ncc(CNC[C@@H]2CC[N@@H+](C)C2)n1-c1ccccc1 ZINC000092128857 180329869 /nfs/dbraw/zinc/32/98/69/180329869.db2.gz LQOQWMNKLRMCFG-HNNXBMFYSA-N 1 0 284.407 2.222 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)Nc1cccc(Cl)c1-n1ccnc1 ZINC000092132969 180330451 /nfs/dbraw/zinc/33/04/51/180330451.db2.gz WAUVIWGXARKJNY-JTQLQIEISA-N 1 0 292.770 2.320 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)N[C@H](c1cccs1)C(C)C ZINC000092133525 180330924 /nfs/dbraw/zinc/33/09/24/180330924.db2.gz KXHSIBBSQPTOTI-PWSUYJOCSA-N 1 0 254.399 2.417 10 0 CEAERO CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@H](C)C[NH2+]C ZINC000092136071 180333074 /nfs/dbraw/zinc/33/30/74/180333074.db2.gz DCHMVZBAMLOPQH-MRVPVSSYSA-N 1 0 298.408 2.336 10 0 CEAERO COC(C)(C)c1noc([C@H]2CCCCC[C@@H]2[NH3+])n1 ZINC000092141325 180333585 /nfs/dbraw/zinc/33/35/85/180333585.db2.gz OVQJOKQWTYEZGX-UWVGGRQHSA-N 1 0 253.346 2.326 10 0 CEAERO C[NH2+][C@H]1CCCC[C@@H]1c1nc(C(C)(C)OC)no1 ZINC000092141284 180333692 /nfs/dbraw/zinc/33/36/92/180333692.db2.gz XFXTWWYWKYFIQO-UWVGGRQHSA-N 1 0 253.346 2.197 10 0 CEAERO COC(C)(C)c1noc([C@H]2CCCCC[C@H]2[NH3+])n1 ZINC000092141332 180333723 /nfs/dbraw/zinc/33/37/23/180333723.db2.gz OVQJOKQWTYEZGX-VHSXEESVSA-N 1 0 253.346 2.326 10 0 CEAERO C[C@H]1C[N@H+](CCc2nc3cc(N)ccc3[nH]2)C[C@H]1C ZINC000092080482 180318480 /nfs/dbraw/zinc/31/84/80/180318480.db2.gz NHDNCVWVBFRGDJ-PHIMTYICSA-N 1 0 258.369 2.275 10 0 CEAERO COc1ccc([C@@H](N)C[N@@H+]2C[C@H](C)[C@H](C)C2)c(OC)c1 ZINC000092084996 180320087 /nfs/dbraw/zinc/32/00/87/180320087.db2.gz UMOUVMVQOLWKFU-ZOWXZIJZSA-N 1 0 278.396 2.291 10 0 CEAERO C[NH2+]Cc1c(N2C[C@H](C)[C@H](C)C2)nc2ccccn21 ZINC000092086727 180320379 /nfs/dbraw/zinc/32/03/79/180320379.db2.gz RCFNSYWZGYLQAY-TXEJJXNPSA-N 1 0 258.369 2.146 10 0 CEAERO COC(=O)[C@](C)(CCC[NH+]1C[C@H](C)[C@@H](C)C1)NC(C)C ZINC000092087581 180321211 /nfs/dbraw/zinc/32/12/11/180321211.db2.gz SNNKTLXWCRLUGN-DZKIICNBSA-N 1 0 284.444 2.284 10 0 CEAERO CC[C@H]([NH3+])Cc1c(C)nn(C)c1N1C[C@H](C)[C@H](C)C1 ZINC000092090171 180322579 /nfs/dbraw/zinc/32/25/79/180322579.db2.gz SBUXNYIKLXWUDY-LOWVWBTDSA-N 1 0 264.417 2.101 10 0 CEAERO Cc1ccc(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)c(Cl)c1 ZINC000092201814 180342688 /nfs/dbraw/zinc/34/26/88/180342688.db2.gz YVDWLNRIFAXBNM-VHSXEESVSA-N 1 0 250.729 2.490 10 0 CEAERO CC[C@H]([NH3+])Cc1nccn1C[C@H]1COc2ccccc21 ZINC000092306328 180360068 /nfs/dbraw/zinc/36/00/68/180360068.db2.gz MOIAXUDKQUKWGG-STQMWFEESA-N 1 0 271.364 2.339 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2cc(Br)ccc2F)C1 ZINC000092201983 180342935 /nfs/dbraw/zinc/34/29/35/180342935.db2.gz JPYNOUOWRMOXCX-VXNVDRBHSA-N 1 0 299.143 2.430 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)Nc2nc3ccccc3s2)C1 ZINC000092201669 180342954 /nfs/dbraw/zinc/34/29/54/180342954.db2.gz VUXOYSMCGODZGH-BDAKNGLRSA-N 1 0 259.334 2.138 10 0 CEAERO COC(=O)C1CC[NH+](C[C@H]2COc3ccccc32)CC1 ZINC000092305658 180360075 /nfs/dbraw/zinc/36/00/75/180360075.db2.gz KKGDHZPNCVBLOS-ZDUSSCGKSA-N 1 0 275.348 2.048 10 0 CEAERO CC(C)OC(=O)c1ccc(NC(=O)[C@H]2C=C[C@H]([NH3+])C2)cc1 ZINC000092202709 180343348 /nfs/dbraw/zinc/34/33/48/180343348.db2.gz GTCYOCDHZHMCKJ-STQMWFEESA-N 1 0 288.347 2.094 10 0 CEAERO CCCOc1ccccc1NC(=O)[C@@H]1C=C[C@H]([NH3+])C1 ZINC000092202655 180343371 /nfs/dbraw/zinc/34/33/71/180343371.db2.gz ZUJCVEFMMXMAEY-NEPJUHHUSA-N 1 0 260.337 2.317 10 0 CEAERO CC(C)[C@H](NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1)c1cccs1 ZINC000092203385 180343469 /nfs/dbraw/zinc/34/34/69/180343469.db2.gz KRIKTLYRMUSBPP-WZRBSPASSA-N 1 0 264.394 2.465 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)N(Cc2ccc(F)cc2)C2CC2)C1 ZINC000092204614 180343786 /nfs/dbraw/zinc/34/37/86/180343786.db2.gz LYXXBVJFTVTQRS-TZMCWYRMSA-N 1 0 274.339 2.220 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)NC2CCC(C(F)(F)F)CC2)C1 ZINC000092203767 180343852 /nfs/dbraw/zinc/34/38/52/180343852.db2.gz ILVWZMGOBMLGTO-XEAZBWPWSA-N 1 0 276.302 2.127 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)N2CCC[C@@H]2Cc2ccccc2)C1 ZINC000092204744 180343857 /nfs/dbraw/zinc/34/38/57/180343857.db2.gz DSGFWJORUWDICI-BZUAXINKSA-N 1 0 270.376 2.124 10 0 CEAERO CN(Cc1nc2ccccc2s1)C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092204606 180343939 /nfs/dbraw/zinc/34/39/39/180343939.db2.gz ISKJDYXLLGUNKB-GHMZBOCLSA-N 1 0 287.388 2.158 10 0 CEAERO C[C@H](C1CC1)N(CC(F)(F)F)C(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092204790 180343957 /nfs/dbraw/zinc/34/39/57/180343957.db2.gz NPPXMYJAFMENCD-DVVUODLYSA-N 1 0 276.302 2.079 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000092206672 180344377 /nfs/dbraw/zinc/34/43/77/180344377.db2.gz NBLGWWNHCNYNGI-IRUJWGPZSA-N 1 0 264.756 2.421 10 0 CEAERO COCC[NH2+]C[C@]1(C[C@@H]2COc3ccccc32)CCOC1 ZINC000092306246 180360183 /nfs/dbraw/zinc/36/01/83/180360183.db2.gz CZURVZHLPALPTJ-RHSMWYFYSA-N 1 0 291.391 2.195 10 0 CEAERO c1ccc2c(c1)OC[C@H]2CN1CCC[NH2+][C@H](C2CC2)C1 ZINC000092307403 180360252 /nfs/dbraw/zinc/36/02/52/180360252.db2.gz OYUKBJORPBVREE-ZBFHGGJFSA-N 1 0 272.392 2.237 10 0 CEAERO C[NH2+]CCc1nnc([C@@H]2Cc3ccccc3S2)o1 ZINC000092234369 180349155 /nfs/dbraw/zinc/34/91/55/180349155.db2.gz BYBOQUCKVQRKDU-NSHDSACASA-N 1 0 261.350 2.221 10 0 CEAERO CC[C@H]1CN(C[C@@H]2COc3ccccc32)CCC[NH2+]1 ZINC000092307402 180360387 /nfs/dbraw/zinc/36/03/87/180360387.db2.gz ICIJICXUKRXHAW-KGLIPLIRSA-N 1 0 260.381 2.237 10 0 CEAERO CCN(C)CC[NH2+]C[C@H]1Cc2ccccc2S1 ZINC000092244055 180352465 /nfs/dbraw/zinc/35/24/65/180352465.db2.gz FEGIMEQXLYEVBZ-CYBMUJFWSA-N 1 0 250.411 2.245 10 0 CEAERO CN(C[C@@H]1Cc2ccccc2S1)[C@@H]1CCC[NH2+]C1 ZINC000092267797 180355967 /nfs/dbraw/zinc/35/59/67/180355967.db2.gz OKJSXVYFANSQEP-KGLIPLIRSA-N 1 0 262.422 2.387 10 0 CEAERO CC[N@@H+](CC(N)=S)C[C@@H]1CSc2ccccc21 ZINC000092275953 180356531 /nfs/dbraw/zinc/35/65/31/180356531.db2.gz DBYPKAQLAIMGRJ-SNVBAGLBSA-N 1 0 266.435 2.484 10 0 CEAERO C[C@@H](CN1CCOCC1)[NH2+]C[C@@H]1CSc2ccccc21 ZINC000092275154 180356606 /nfs/dbraw/zinc/35/66/06/180356606.db2.gz YBKBEDFWPRHGLW-UONOGXRCSA-N 1 0 292.448 2.186 10 0 CEAERO OC[C@@]1(C[C@H]2Cc3ccccc3S2)CCC[NH2+]C1 ZINC000092273906 180356834 /nfs/dbraw/zinc/35/68/34/180356834.db2.gz TXYGJULPFBJHJX-UKRRQHHQSA-N 1 0 263.406 2.456 10 0 CEAERO COC(=O)CC[N@H+](C)C[C@H]1CSc2ccccc21 ZINC000092292614 180357849 /nfs/dbraw/zinc/35/78/49/180357849.db2.gz AZNNBAZAROJETK-NSHDSACASA-N 1 0 265.378 2.371 10 0 CEAERO CCN(CC)C[C@@H](C)[NH2+]C[C@H]1COc2ccccc21 ZINC000092300582 180358434 /nfs/dbraw/zinc/35/84/34/180358434.db2.gz LNMFXYCNZVTKFQ-KGLIPLIRSA-N 1 0 262.397 2.483 10 0 CEAERO [NH3+][C@H](C[C@H]1CSc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000092297027 180358604 /nfs/dbraw/zinc/35/86/04/180358604.db2.gz KLFYOHYDPWQYJY-NTZNESFSSA-N 1 0 297.445 2.028 10 0 CEAERO OC[C@H]([NH2+]C[C@@H]1COc2ccccc21)c1ccccc1 ZINC000092300913 180358623 /nfs/dbraw/zinc/35/86/23/180358623.db2.gz RAZYEQAKCCRDDC-ZBFHGGJFSA-N 1 0 269.344 2.486 10 0 CEAERO CC(C)[C@@H](CN(C)C)[NH2+]C[C@@H]1COc2ccccc21 ZINC000092300134 180358671 /nfs/dbraw/zinc/35/86/71/180358671.db2.gz BMWACHBOSAGTOI-UKRRQHHQSA-N 1 0 262.397 2.338 10 0 CEAERO CC[N@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000105874536 186081778 /nfs/dbraw/zinc/08/17/78/186081778.db2.gz XSCTVAMJGUMEEP-LBPRGKRZSA-N 1 0 254.399 2.073 10 0 CEAERO CCN(CC[NH2+]C(C)C)C[C@@H]1COc2ccccc21 ZINC000092302566 180359276 /nfs/dbraw/zinc/35/92/76/180359276.db2.gz GKMCLSWCEMVSFT-CQSZACIVSA-N 1 0 262.397 2.483 10 0 CEAERO FC(F)(F)COCC[NH2+]C[C@H]1COc2ccccc21 ZINC000092301021 180359336 /nfs/dbraw/zinc/35/93/36/180359336.db2.gz XPIKHSMSHDQSDG-JTQLQIEISA-N 1 0 275.270 2.331 10 0 CEAERO C[C@@H](O)CN1CC[N@H+](CCCc2ccccc2)C[C@H]1C ZINC000105823340 186073875 /nfs/dbraw/zinc/07/38/75/186073875.db2.gz LCEHHHFAZHYQIU-HZPDHXFCSA-N 1 0 276.424 2.006 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](c2nc(Cc3cc(F)cc(F)c3)no2)C1 ZINC000092181558 180339046 /nfs/dbraw/zinc/33/90/46/180339046.db2.gz MBFSJPDSPYPIFB-BXKDBHETSA-N 1 0 277.274 2.309 10 0 CEAERO CC[NH2+]CCc1c(CC)nc(CCCOC)nc1CC ZINC000092318611 180361834 /nfs/dbraw/zinc/36/18/34/180361834.db2.gz DKDTYCMSWJDUGP-UHFFFAOYSA-N 1 0 279.428 2.332 10 0 CEAERO CCc1nc(N(C)C)nc(CC)c1CC[NH2+]CC(C)C ZINC000092318989 180361838 /nfs/dbraw/zinc/36/18/38/180361838.db2.gz NBFPNJRZZJINNV-UHFFFAOYSA-N 1 0 278.444 2.456 10 0 CEAERO CCC[C@H]1C[C@@H]([NH2+]Cc2c(C)nn(C)c2C)CCO1 ZINC000092324244 180362225 /nfs/dbraw/zinc/36/22/25/180362225.db2.gz ACZYOBIXEYGQQV-KBPBESRZSA-N 1 0 265.401 2.474 10 0 CEAERO CCC[C@@H]1C[C@@H]([NH2+]Cc2c(C)nn(C)c2C)CCO1 ZINC000092324241 180362480 /nfs/dbraw/zinc/36/24/80/180362480.db2.gz ACZYOBIXEYGQQV-UONOGXRCSA-N 1 0 265.401 2.474 10 0 CEAERO CCC[N@@H+]1CCC[C@H](NCc2c(C)nn(C)c2C)CC1 ZINC000092324906 180362536 /nfs/dbraw/zinc/36/25/36/180362536.db2.gz QVZTUNMDRCOANQ-HNNXBMFYSA-N 1 0 278.444 2.391 10 0 CEAERO Cc1noc(C)c1[C@H](C)NC(=O)C[NH2+]C1CCCC1 ZINC000092329251 180363865 /nfs/dbraw/zinc/36/38/65/180363865.db2.gz RWTHBJLEXCVBBZ-VIFPVBQESA-N 1 0 265.357 2.001 10 0 CEAERO Cc1noc(C)c1CNC(=O)CC[C@H](CC[NH3+])C(C)C ZINC000092330275 180364010 /nfs/dbraw/zinc/36/40/10/180364010.db2.gz IGVVBWBZOOLGNF-CYBMUJFWSA-N 1 0 281.400 2.309 10 0 CEAERO CCOC(=O)[C@@H](C)C[NH2+][C@@H](C)c1c(C)noc1C ZINC000092332355 180364489 /nfs/dbraw/zinc/36/44/89/180364489.db2.gz YMIXREMMBCTCFL-IUCAKERBSA-N 1 0 254.330 2.141 10 0 CEAERO COCC[N@@H+]1CCN(Cc2cccc(F)c2F)C[C@@H]1C ZINC000106108906 186102329 /nfs/dbraw/zinc/10/23/29/186102329.db2.gz OFWBUHUXOJWPSO-LBPRGKRZSA-N 1 0 284.350 2.117 10 0 CEAERO CCC[NH2+]C[C@@H]1CCN(Cc2c(C)noc2C)C1 ZINC000092339881 180365089 /nfs/dbraw/zinc/36/50/89/180365089.db2.gz JVFGSBPGMGZRLQ-ZDUSSCGKSA-N 1 0 251.374 2.113 10 0 CEAERO CC[C@H]1CN(Cc2cccc(C)c2)CC[N@@H+]1C[C@@H](C)O ZINC000106103466 186103345 /nfs/dbraw/zinc/10/33/45/186103345.db2.gz NFOQPDRYYLZYMR-WBVHZDCISA-N 1 0 276.424 2.272 10 0 CEAERO CCC[NH2+][C@H]1CCCN(Cc2c(C)nn(C)c2C)C1 ZINC000092342048 180366072 /nfs/dbraw/zinc/36/60/72/180366072.db2.gz WEOMEQSZCSUAFK-AWEZNQCLSA-N 1 0 264.417 2.001 10 0 CEAERO Cc1cc(C[C@H](C[NH3+])C(=O)NC(C)C)c2ccccc2n1 ZINC000092344565 180366534 /nfs/dbraw/zinc/36/65/34/180366534.db2.gz IXTZECXNZPKCAF-CQSZACIVSA-N 1 0 285.391 2.185 10 0 CEAERO NNc1cccc(CN2CCC[C@@H](C(F)(F)F)C2)[nH+]1 ZINC000092370550 180370050 /nfs/dbraw/zinc/37/00/50/180370050.db2.gz AQASSNCVLKLFSN-SECBINFHSA-N 1 0 274.290 2.142 10 0 CEAERO Cc1cc2ncn(Cc3cccc(NN)[nH+]3)c2cc1C ZINC000092370822 180370241 /nfs/dbraw/zinc/37/02/41/180370241.db2.gz DQNYCVUQRKDFKC-UHFFFAOYSA-N 1 0 267.336 2.382 10 0 CEAERO c1ncn([C@H]2CCC[N@@H+](CCc3ccccc3)C2)n1 ZINC000105898423 186085388 /nfs/dbraw/zinc/08/53/88/186085388.db2.gz RDLNWKZGAHUGLG-HNNXBMFYSA-N 1 0 256.353 2.158 10 0 CEAERO CCN(C1C[NH2+]C1)[C@H]1CCCc2ccc(OC)cc21 ZINC000092387311 180374379 /nfs/dbraw/zinc/37/43/79/180374379.db2.gz NELCRGVCIVETFE-INIZCTEOSA-N 1 0 260.381 2.366 10 0 CEAERO CCC[NH2+][C@H]1c2cc(OC)ccc2CC[C@@H]1S(C)(=O)=O ZINC000092388539 180374414 /nfs/dbraw/zinc/37/44/14/180374414.db2.gz DLKWWYDANKIQAM-GJZGRUSLSA-N 1 0 297.420 2.095 10 0 CEAERO CCOCC[N@H+](CC)[C@H]1CCc2ccc(OC)cc2[C@@H]1O ZINC000092387957 180374648 /nfs/dbraw/zinc/37/46/48/180374648.db2.gz AKVRPRRMHKRNAE-IRXDYDNUSA-N 1 0 293.407 2.402 10 0 CEAERO Cc1csc2nc(C)c(C[NH2+][C@H](CO)C(C)C)n12 ZINC000092393121 180375966 /nfs/dbraw/zinc/37/59/66/180375966.db2.gz VGXWFXCNQOLBCB-LLVKDONJSA-N 1 0 267.398 2.119 10 0 CEAERO COc1ccc(CNC2=[NH+][C@@H](C(C)C)CS2)cn1 ZINC000092402662 180378308 /nfs/dbraw/zinc/37/83/08/180378308.db2.gz QQCJUVAZDIEVMX-LLVKDONJSA-N 1 0 265.382 2.307 10 0 CEAERO CC(C)[C@@H]1CO[C@H](c2nc3ccccc3n2C)C[NH2+]1 ZINC000092403204 180378390 /nfs/dbraw/zinc/37/83/90/180378390.db2.gz KOLQWLZWDRWZBX-JSGCOSHPSA-N 1 0 259.353 2.259 10 0 CEAERO Clc1ccnc(CN2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000092417149 180381018 /nfs/dbraw/zinc/38/10/18/180381018.db2.gz DVLMJOHQSRMOCI-UONOGXRCSA-N 1 0 265.788 2.451 10 0 CEAERO NNc1ccnc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)c1 ZINC000092421066 180381863 /nfs/dbraw/zinc/38/18/63/180381863.db2.gz WKPNEEXWGUTFHE-QWHCGFSZSA-N 1 0 260.385 2.379 10 0 CEAERO CCCC[C@@H](C)[NH2+][C@H]1CC(=O)N(c2ccccc2)C1=O ZINC000106785116 186134950 /nfs/dbraw/zinc/13/49/50/186134950.db2.gz HBIUIPRYRAAHBI-OCCSQVGLSA-N 1 0 274.364 2.487 10 0 CEAERO COCCCO[C@H]1CCc2ccc(OC)cc2[C@H]1[NH3+] ZINC000092386735 180373700 /nfs/dbraw/zinc/37/37/00/180373700.db2.gz PEUYKWHWYZHIQX-LSDHHAIUSA-N 1 0 265.353 2.063 10 0 CEAERO C[NH2+][C@H]1c2cc(OC)ccc2CC[C@@H]1OCCCOC ZINC000092386724 180373898 /nfs/dbraw/zinc/37/38/98/180373898.db2.gz BZQNLPVVUBXPQP-HOTGVXAUSA-N 1 0 279.380 2.324 10 0 CEAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@H](OCC1CCOCC1)CC2 ZINC000092386807 180374020 /nfs/dbraw/zinc/37/40/20/180374020.db2.gz LZSMHCQMHSBJFW-IAGOWNOFSA-N 1 0 291.391 2.453 10 0 CEAERO CC(C)[C@H]([NH2+]Cc1ccc(Br)cc1)C(N)=O ZINC000107323120 186169978 /nfs/dbraw/zinc/16/99/78/186169978.db2.gz BBWXCAGXIIMIPR-NSHDSACASA-N 1 0 285.185 2.049 10 0 CEAERO CC[N@@H+](Cc1cccc(C)n1)C[C@H](C)C(N)=S ZINC000092429210 180384305 /nfs/dbraw/zinc/38/43/05/180384305.db2.gz MYYXCGZZHOQVAT-JTQLQIEISA-N 1 0 251.399 2.134 10 0 CEAERO CC(C)N(CC(F)(F)F)C(=O)C[NH2+]C(C)(C)C ZINC000107800226 186192132 /nfs/dbraw/zinc/19/21/32/186192132.db2.gz YNOZWXPNHYNBMF-UHFFFAOYSA-N 1 0 254.296 2.174 10 0 CEAERO C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000173401126 282709221 /nfs/dbraw/zinc/70/92/21/282709221.db2.gz KKIZYPVQRLOXDC-LSDHHAIUSA-N 1 0 264.413 2.413 10 0 CEAERO C[NH+](C)CCCNC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109151221 186244132 /nfs/dbraw/zinc/24/41/32/186244132.db2.gz VDAAOFNEXWGZMG-NWDGAFQWSA-N 1 0 282.334 2.136 10 0 CEAERO CC(C)c1ccc([C@@H](O)C[NH2+]C[C@@H](C)CO)cc1 ZINC000109122483 186244357 /nfs/dbraw/zinc/24/43/57/186244357.db2.gz NIPKPLOBFJJJHW-DOMZBBRYSA-N 1 0 251.370 2.061 10 0 CEAERO C[C@@H]([NH2+]CCc1cscn1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000108941817 186237001 /nfs/dbraw/zinc/23/70/01/186237001.db2.gz DWPRSRVHSCWRKK-SECBINFHSA-N 1 0 288.376 2.206 10 0 CEAERO CCC[C@@H](c1nccc(C(F)(F)F)n1)N1CC[NH2+]CC1 ZINC000109475967 186255374 /nfs/dbraw/zinc/25/53/74/186255374.db2.gz QKAHTJILARSKML-JTQLQIEISA-N 1 0 288.317 2.242 10 0 CEAERO C[NH2+][C@@H]1CCCC[C@H]1c1nc(-c2ccncc2)no1 ZINC000109498452 186256456 /nfs/dbraw/zinc/25/64/56/186256456.db2.gz YIWMBLCGRKAWKZ-VXGBXAGGSA-N 1 0 258.325 2.377 10 0 CEAERO CC[NH2+][C@H]1CCCC[C@@H]1c1nc(C[C@@H]2CCCO2)no1 ZINC000109495782 186256828 /nfs/dbraw/zinc/25/68/28/186256828.db2.gz PUNAOSQKWSVFAL-AVGNSLFASA-N 1 0 279.384 2.427 10 0 CEAERO CCC[NH2+][C@@H]1CCC[C@@H]1c1nc(-c2ncccn2)no1 ZINC000109505379 186257394 /nfs/dbraw/zinc/25/73/94/186257394.db2.gz AFBJMTGRJBUCGX-WDEREUQCSA-N 1 0 273.340 2.162 10 0 CEAERO C[NH2+][C@H]1CCCCC[C@@H]1c1nc(-c2cnccn2)no1 ZINC000109507028 186257732 /nfs/dbraw/zinc/25/77/32/186257732.db2.gz ZPTPONJGEFLABK-QWRGUYRKSA-N 1 0 273.340 2.162 10 0 CEAERO C[NH2+][C@@H](Cc1nc(Cc2ccccn2)no1)C(C)(C)C ZINC000109499666 186257847 /nfs/dbraw/zinc/25/78/47/186257847.db2.gz QVWLSBZPTMHUDT-LBPRGKRZSA-N 1 0 274.368 2.232 10 0 CEAERO CC[C@@H](c1nc(Cc2nc(C)cs2)no1)[C@@H](C)[NH3+] ZINC000109510916 186258004 /nfs/dbraw/zinc/25/80/04/186258004.db2.gz TTZUWIMSICYXKR-RKDXNWHRSA-N 1 0 266.370 2.266 10 0 CEAERO C[NH2+][C@H](Cc1nc(-c2ccccc2F)no1)C1CC1 ZINC000109510095 186258712 /nfs/dbraw/zinc/25/87/12/186258712.db2.gz DMKUXDIFLDGPBE-GFCCVEGCSA-N 1 0 261.300 2.416 10 0 CEAERO CC[NH2+][C@H](CC)Cc1nc(-c2ncccc2C)no1 ZINC000109519175 186259017 /nfs/dbraw/zinc/25/90/17/186259017.db2.gz UQINBFHSMJILNN-LLVKDONJSA-N 1 0 260.341 2.371 10 0 CEAERO CCCCOCCOc1ccc2c(c1)NC(=O)[C@H]2[NH2+]C ZINC000109575251 186263491 /nfs/dbraw/zinc/26/34/91/186263491.db2.gz RUWUGQRJVLUNLS-AWEZNQCLSA-N 1 0 278.352 2.095 10 0 CEAERO C[C@H]([NH3+])c1c(F)cccc1N1CCCO[C@@H](C)C1 ZINC000109571827 186263752 /nfs/dbraw/zinc/26/37/52/186263752.db2.gz HPHKLHNUPHUTRV-QWRGUYRKSA-N 1 0 252.333 2.461 10 0 CEAERO C[C@H]([NH3+])c1c(F)cccc1N(C)C[C@H]1CCCO1 ZINC000109568691 186264452 /nfs/dbraw/zinc/26/44/52/186264452.db2.gz ICMXCICMQASPRV-WDEREUQCSA-N 1 0 252.333 2.461 10 0 CEAERO CC[C@@H]1CC[C@H](C[NH3+])[C@H](Sc2nnc(C)n2C)C1 ZINC000109687068 186268779 /nfs/dbraw/zinc/26/87/79/186268779.db2.gz UVBFEJWVBXCBEL-IJLUTSLNSA-N 1 0 268.430 2.369 10 0 CEAERO CCO[C@H]1CCC[N@H+](Cc2c(N)cccc2F)C1 ZINC000109427531 186251312 /nfs/dbraw/zinc/25/13/12/186251312.db2.gz KUQADAMVYKJJQR-NSHDSACASA-N 1 0 252.333 2.409 10 0 CEAERO CCOc1ccc([C@H](C)[NH2+]CCc2nncn2C)cc1 ZINC000109421056 186251423 /nfs/dbraw/zinc/25/14/23/186251423.db2.gz DRGBWACKWTUYBQ-LBPRGKRZSA-N 1 0 274.368 2.107 10 0 CEAERO C[C@H]([NH2+]CCc1nncn1C)c1ccc(Cl)cc1 ZINC000109421021 186251450 /nfs/dbraw/zinc/25/14/50/186251450.db2.gz CPBOJYWJTANDKQ-JTQLQIEISA-N 1 0 264.760 2.362 10 0 CEAERO Cc1cccc2c1OCCC[C@H]2[NH2+]CCc1nncn1C ZINC000109422555 186251688 /nfs/dbraw/zinc/25/16/88/186251688.db2.gz RVCCJZIQEAVWNK-CQSZACIVSA-N 1 0 286.379 2.170 10 0 CEAERO CC[NH2+][C@@]1(c2nc3c(s2)CCCC3)CCOC1 ZINC000109432198 186252229 /nfs/dbraw/zinc/25/22/29/186252229.db2.gz WAKOWAAMONRAHX-ZDUSSCGKSA-N 1 0 252.383 2.247 10 0 CEAERO CCCC[C@H](CC)C[NH+]1CCN([C@@H](C)C(N)=S)CC1 ZINC000109468028 186254476 /nfs/dbraw/zinc/25/44/76/186254476.db2.gz PMIYMICFJKTODM-KBPBESRZSA-N 1 0 285.501 2.495 10 0 CEAERO CC[C@@H](c1noc(-c2ccccc2C)n1)N1CC[NH2+]CC1 ZINC000109474604 186254622 /nfs/dbraw/zinc/25/46/22/186254622.db2.gz DXBNOBGUQRSVPX-AWEZNQCLSA-N 1 0 286.379 2.401 10 0 CEAERO C[C@H](c1nccc(C2CCCCC2)n1)N1CC[NH2+]CC1 ZINC000109475608 186254756 /nfs/dbraw/zinc/25/47/56/186254756.db2.gz FDDPSFHXUXWCOQ-CYBMUJFWSA-N 1 0 274.412 2.491 10 0 CEAERO Cc1ccc(-c2nc([C@@H](C)N3CC[NH2+]CC3)no2)cc1 ZINC000109473960 186254846 /nfs/dbraw/zinc/25/48/46/186254846.db2.gz PBSQRHHLTMNTQD-GFCCVEGCSA-N 1 0 272.352 2.011 10 0 CEAERO CC[C@H](c1noc(-c2ccccc2)n1)N1CC[NH2+]CC1 ZINC000109474587 186254990 /nfs/dbraw/zinc/25/49/90/186254990.db2.gz UJATYRLHOUFRPG-CYBMUJFWSA-N 1 0 272.352 2.093 10 0 CEAERO CC[C@H](c1noc(CC(C)(C)C)n1)N1CC[NH2+]CC1 ZINC000109474465 186255093 /nfs/dbraw/zinc/25/50/93/186255093.db2.gz UGVOUMACBHMBAQ-LLVKDONJSA-N 1 0 266.389 2.015 10 0 CEAERO CC(C)(C)c1cc(C(C)(C)C)nc(CN2CC[NH2+]CC2)n1 ZINC000109475542 186255162 /nfs/dbraw/zinc/25/51/62/186255162.db2.gz OVMCLMORTZWRSB-UHFFFAOYSA-N 1 0 290.455 2.477 10 0 CEAERO Cc1ccc(-c2nc(C(C)(C)N3CC[NH2+]CC3)no2)s1 ZINC000109475383 186255346 /nfs/dbraw/zinc/25/53/46/186255346.db2.gz ULFXALSWDOPOLI-UHFFFAOYSA-N 1 0 292.408 2.247 10 0 CEAERO C[NH+](C)[C@@H]1CCN(c2nc(C(C)(C)C)c(C=O)s2)C1 ZINC000110272183 186289554 /nfs/dbraw/zinc/28/95/54/186289554.db2.gz ZRQZOVNIBRLVKT-SNVBAGLBSA-N 1 0 281.425 2.393 10 0 CEAERO Cc1nnc(Sc2ccc([C@H](C)[NH3+])cc2F)n1C ZINC000110368787 186294443 /nfs/dbraw/zinc/29/44/43/186294443.db2.gz BXOXQHCHCBFTCW-ZETCQYMHSA-N 1 0 266.345 2.434 10 0 CEAERO CCOCCOc1ccc(C)cc1C[NH2+]CCOC ZINC000110460451 186297299 /nfs/dbraw/zinc/29/72/99/186297299.db2.gz FWRQNURFVPIMMK-UHFFFAOYSA-N 1 0 267.369 2.146 10 0 CEAERO CCC[C@H](Cc1nc(CC(F)(F)F)no1)[NH2+]CC ZINC000110461383 186297345 /nfs/dbraw/zinc/29/73/45/186297345.db2.gz VZFKWTVPSHAKGC-MRVPVSSYSA-N 1 0 265.279 2.495 10 0 CEAERO Cc1cccc(NC(=O)CN2[C@H](C)CCC[C@@H]2C[NH3+])c1 ZINC000110480827 186299129 /nfs/dbraw/zinc/29/91/29/186299129.db2.gz BUKSSTKFQLLHES-UKRRQHHQSA-N 1 0 275.396 2.135 10 0 CEAERO C[NH2+][C@@H](C)Cc1nc(Cc2ccc(C)c(C)c2)no1 ZINC000110514271 186300449 /nfs/dbraw/zinc/30/04/49/186300449.db2.gz KJGDMLKONHGKBQ-LBPRGKRZSA-N 1 0 259.353 2.428 10 0 CEAERO [NH3+]Cc1ccc(NC(=O)[C@H]2COc3ccccc3C2)cc1 ZINC000110539574 186302715 /nfs/dbraw/zinc/30/27/15/186302715.db2.gz IOFQPNWWDXFWEN-CQSZACIVSA-N 1 0 282.343 2.335 10 0 CEAERO [NH3+][C@H](c1noc([C@H]2COc3ccccc3C2)n1)C1CC1 ZINC000110540934 186302825 /nfs/dbraw/zinc/30/28/25/186302825.db2.gz AWVYEGUOVXRSRX-YPMHNXCESA-N 1 0 271.320 2.198 10 0 CEAERO Cc1ccncc1NC(=O)Cc1ccc(C[NH3+])cc1 ZINC000110614580 186305587 /nfs/dbraw/zinc/30/55/87/186305587.db2.gz QHJMUWHUYLCTAV-UHFFFAOYSA-N 1 0 255.321 2.030 10 0 CEAERO C[NH+](C)[C@H]1CCN(c2cc(OC(F)F)c(F)cc2N)C1 ZINC000110641405 186307576 /nfs/dbraw/zinc/30/75/76/186307576.db2.gz ICTOIPIARXOUNJ-QMMMGPOBSA-N 1 0 289.301 2.150 10 0 CEAERO COc1cc2c(cc1F)[nH+]c(N)n2CCc1ccncc1 ZINC000110629675 186307966 /nfs/dbraw/zinc/30/79/66/186307966.db2.gz FGBMHMXPOFOFNC-UHFFFAOYSA-N 1 0 286.310 2.404 10 0 CEAERO C[C@@H]([NH3+])C1CCN(C(=O)c2cccn2C2CC2)CC1 ZINC000110646594 186308980 /nfs/dbraw/zinc/30/89/80/186308980.db2.gz VKKZZTDERMDZNS-LLVKDONJSA-N 1 0 261.369 2.022 10 0 CEAERO C[C@@H]([NH3+])C1CCN(C(=O)c2ccc(Cl)cc2O)CC1 ZINC000110647344 186309429 /nfs/dbraw/zinc/30/94/29/186309429.db2.gz XSIANUWXMBQFFH-SECBINFHSA-N 1 0 282.771 2.245 10 0 CEAERO CCS(=O)(=O)c1ccc(NCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000110793344 186325115 /nfs/dbraw/zinc/32/51/15/186325115.db2.gz MWFXOYSWBQZAGV-ZDUSSCGKSA-N 1 0 296.436 2.282 10 0 CEAERO CC(C)n1cc(Cl)cc1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000110796218 186325297 /nfs/dbraw/zinc/32/52/97/186325297.db2.gz HQMGPQFXMUXHMO-NSHDSACASA-N 1 0 283.803 2.452 10 0 CEAERO C[C@@H]1CCCN(c2nc3ccccn3c2C[NH3+])CC1 ZINC000110807692 186326228 /nfs/dbraw/zinc/32/62/28/186326228.db2.gz GKFOLHONVDUIGQ-GFCCVEGCSA-N 1 0 258.369 2.419 10 0 CEAERO C[NH2+]Cc1c(C)nn(C)c1N1CCC[C@H](C)CC1 ZINC000110807176 186326273 /nfs/dbraw/zinc/32/62/73/186326273.db2.gz XJPVPZIGWWQDMS-NSHDSACASA-N 1 0 250.390 2.074 10 0 CEAERO CCOC(=O)[C@](C)(CC[N@H+](C)CC1CCCC1)NC ZINC000110840599 186327983 /nfs/dbraw/zinc/32/79/83/186327983.db2.gz SMVQMMIEWBTJHG-HNNXBMFYSA-N 1 0 270.417 2.040 10 0 CEAERO C[C@H]1CCC[C@@H](C(=O)N(C)CC2CCCC2)[C@@H]1[NH3+] ZINC000110848178 186329372 /nfs/dbraw/zinc/32/93/72/186329372.db2.gz XUOBEKSKMYJUHD-IACUBPJLSA-N 1 0 252.402 2.399 10 0 CEAERO CN(C(=O)c1cc(Cl)c(Cl)[nH]1)[C@@H]1CCC[NH2+]C1 ZINC000110926872 186333630 /nfs/dbraw/zinc/33/36/30/186333630.db2.gz OAHHNJZITPHTSK-SSDOTTSWSA-N 1 0 276.167 2.146 10 0 CEAERO CCN(C(=O)c1sccc1C)[C@H]1CCC[NH2+]C1 ZINC000110939617 186334352 /nfs/dbraw/zinc/33/43/52/186334352.db2.gz VUIHHRMAVWJPDK-NSHDSACASA-N 1 0 252.383 2.271 10 0 CEAERO CCN(C(=O)c1ccc(Cl)o1)[C@H]1CCC[NH2+]C1 ZINC000110940206 186334403 /nfs/dbraw/zinc/33/44/03/186334403.db2.gz SPELYEDJEGZAID-VIFPVBQESA-N 1 0 256.733 2.147 10 0 CEAERO CCN(Cc1ncc(C)c(OC)c1C)[C@H]1CCC[NH2+]C1 ZINC000110942660 186335119 /nfs/dbraw/zinc/33/51/19/186335119.db2.gz NEJOSDPZSARARS-AWEZNQCLSA-N 1 0 277.412 2.281 10 0 CEAERO CCCCOCCn1c(CC[NH3+])nc2ccccc21 ZINC000110948858 186335327 /nfs/dbraw/zinc/33/53/27/186335327.db2.gz HMFOVVWJCGRFBR-UHFFFAOYSA-N 1 0 261.369 2.354 10 0 CEAERO CCN(c1ccc(S(=O)(=O)CC)cc1)[C@@H]1CCC[NH2+]C1 ZINC000110947238 186335360 /nfs/dbraw/zinc/33/53/60/186335360.db2.gz FQVNAIRNEGMSGL-CQSZACIVSA-N 1 0 296.436 2.059 10 0 CEAERO CCN(Cc1cn2cccc(C)c2n1)[C@H]1CCC[NH2+]C1 ZINC000110944493 186335644 /nfs/dbraw/zinc/33/56/44/186335644.db2.gz IQRDCAHFLLHCSN-HNNXBMFYSA-N 1 0 272.396 2.217 10 0 CEAERO CC[C@@H](C)NC(=O)[C@@H](C)n1c(CC[NH3+])nc2ccccc21 ZINC000110948832 186335711 /nfs/dbraw/zinc/33/57/11/186335711.db2.gz FXQUUCWHBPXUOG-VXGBXAGGSA-N 1 0 288.395 2.013 10 0 CEAERO CCOC(=O)c1ccoc1CN(CC)[C@H]1CCC[NH2+]C1 ZINC000110943424 186335864 /nfs/dbraw/zinc/33/58/64/186335864.db2.gz HJSYNLAXFFNYEZ-LBPRGKRZSA-N 1 0 280.368 2.030 10 0 CEAERO CCCN(Cc1ccc(C(=O)OC)o1)[C@H]1CCC[NH2+]C1 ZINC000110945822 186335959 /nfs/dbraw/zinc/33/59/59/186335959.db2.gz RBAULRSSHFYLDJ-LBPRGKRZSA-N 1 0 280.368 2.030 10 0 CEAERO CCCN(CC(=O)N(C)C1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000110946636 186336005 /nfs/dbraw/zinc/33/60/05/186336005.db2.gz IKCHHXXNBOTLCB-INIZCTEOSA-N 1 0 295.471 2.242 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(C)cc1O[C@@H]1CCOC1=O ZINC000110960776 186337520 /nfs/dbraw/zinc/33/75/20/186337520.db2.gz DQTQXWGMRJQRKB-WCQYABFASA-N 1 0 263.337 2.360 10 0 CEAERO CSc1ccc(O[C@H](C[NH3+])c2cnn(C)c2)cc1 ZINC000110981355 186339383 /nfs/dbraw/zinc/33/93/83/186339383.db2.gz CJUNFHHIAVKCAB-CYBMUJFWSA-N 1 0 263.366 2.221 10 0 CEAERO CC[N@@H+]1CCN(C(=O)c2c[nH]c3ccccc23)C[C@@H]1C ZINC000110693611 186312670 /nfs/dbraw/zinc/31/26/70/186312670.db2.gz ALNCHUPOXPCBLR-LBPRGKRZSA-N 1 0 271.364 2.334 10 0 CEAERO CC[N@@H+]1CCN(Cc2ccc(N)c3cccnc23)C[C@@H]1C ZINC000110702392 186314456 /nfs/dbraw/zinc/31/44/56/186314456.db2.gz UAVYENGYGSMEDD-ZDUSSCGKSA-N 1 0 284.407 2.343 10 0 CEAERO CC[C@@H]1CN(CC(=O)c2ccc(C)cc2)CC[N@@H+]1C ZINC000110728532 186317085 /nfs/dbraw/zinc/31/70/85/186317085.db2.gz BBBNWRRWVBMMSI-OAHLLOKOSA-N 1 0 260.381 2.204 10 0 CEAERO C[C@@H]([C@@H](O)c1ccccc1)[N@@H+]1CCN(C)C(C)(C)C1 ZINC000110736567 186318915 /nfs/dbraw/zinc/31/89/15/186318915.db2.gz FLTXLUCMNHSJPU-DZGCQCFKSA-N 1 0 262.397 2.135 10 0 CEAERO CC[C@H]1CN(c2nc(C)c([C@@H](C)O)s2)CC[N@@H+]1C ZINC000110759482 186320908 /nfs/dbraw/zinc/32/09/08/186320908.db2.gz LNRXCSJJCDLSEW-MNOVXSKESA-N 1 0 269.414 2.035 10 0 CEAERO C[C@@H]1CN(CCNc2ccccc2Cl)CC[N@@H+]1C ZINC000110756461 186321533 /nfs/dbraw/zinc/32/15/33/186321533.db2.gz VRTRYQKSILFCIO-GFCCVEGCSA-N 1 0 267.804 2.388 10 0 CEAERO CC[N@@H+]1CCN(CCNc2ccccc2C)C[C@@H]1C ZINC000110756842 186321866 /nfs/dbraw/zinc/32/18/66/186321866.db2.gz UAVJQNATFQPMGW-HNNXBMFYSA-N 1 0 261.413 2.433 10 0 CEAERO C[C@H]1CN(c2nc(C(C)(C)C)c(C[NH3+])s2)CCN1C ZINC000110760003 186323243 /nfs/dbraw/zinc/32/32/43/186323243.db2.gz MCTPDLUAOZRNMJ-JTQLQIEISA-N 1 0 282.457 2.040 10 0 CEAERO Cc1cc2c(ncnc2N(C)C[C@H](C)C[NH3+])s1 ZINC000110779069 186323961 /nfs/dbraw/zinc/32/39/61/186323961.db2.gz VDFNQFDERQMZGL-MRVPVSSYSA-N 1 0 250.371 2.031 10 0 CEAERO O=C(NCC[C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1O ZINC000110791399 186324141 /nfs/dbraw/zinc/32/41/41/186324141.db2.gz MXIGCJMFAMYHBB-SNVBAGLBSA-N 1 0 282.771 2.165 10 0 CEAERO Cc1cc2c(ncnc2OC[C@H]2CCC[NH2+]C2)s1 ZINC000110779768 186324255 /nfs/dbraw/zinc/32/42/55/186324255.db2.gz NMVXJQPOLMOUPG-JTQLQIEISA-N 1 0 263.366 2.378 10 0 CEAERO Cc1nc(C[NH3+])sc1-c1nc(-c2ccco2)no1 ZINC000110791120 186324626 /nfs/dbraw/zinc/32/46/26/186324626.db2.gz LCMCWIIJCOKDDO-UHFFFAOYSA-N 1 0 262.294 2.220 10 0 CEAERO O[C@@H]1C[NH2+]C[C@H]1Oc1ccccc1-c1ccccc1 ZINC000111059682 186349079 /nfs/dbraw/zinc/34/90/79/186349079.db2.gz SUGVOEMZEKTTEI-GDBMZVCRSA-N 1 0 255.317 2.065 10 0 CEAERO O=C1CC[C@@H]([NH2+]C2CC(c3ccc(Cl)cc3)C2)CN1 ZINC000111017936 186344204 /nfs/dbraw/zinc/34/42/04/186344204.db2.gz ZRJUNWCWWVPUDC-HRDQMINSSA-N 1 0 278.783 2.454 10 0 CEAERO NC(=S)c1cc(F)ccc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000111032142 186346838 /nfs/dbraw/zinc/34/68/38/186346838.db2.gz XUFMXYAHVFVABD-JTQLQIEISA-N 1 0 279.384 2.109 10 0 CEAERO COc1cc(NCC[NH+]2CCC(C)CC2)ccc1N ZINC000111050851 186348142 /nfs/dbraw/zinc/34/81/42/186348142.db2.gz RRDFFEVBEQGUGV-UHFFFAOYSA-N 1 0 263.385 2.421 10 0 CEAERO C[C@H]1CCCC[C@@]1(CN)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111157633 186362736 /nfs/dbraw/zinc/36/27/36/186362736.db2.gz COQMCGRJGMAFIR-KKUMJFAQSA-N 1 0 254.418 2.252 10 0 CEAERO C[N@H+](CC1CCOCC1)[C@]1(CN)CCc2ccccc2C1 ZINC000111159736 186362830 /nfs/dbraw/zinc/36/28/30/186362830.db2.gz XBIKYDFQBQRJJG-GOSISDBHSA-N 1 0 288.435 2.231 10 0 CEAERO C[C@H]([NH3+])c1cccc(NS(=O)(=O)C(C)(C)C)c1 ZINC000111072185 186351098 /nfs/dbraw/zinc/35/10/98/186351098.db2.gz BPNUWANLECYEKQ-VIFPVBQESA-N 1 0 256.371 2.247 10 0 CEAERO [NH3+]C1(C(=O)NC[C@H]2C[C@H]3CC[C@@H]2C3)CCCCC1 ZINC000111087778 186352048 /nfs/dbraw/zinc/35/20/48/186352048.db2.gz NFAJEMFTMBVETO-YNEHKIRRSA-N 1 0 250.386 2.200 10 0 CEAERO CCOCC[N@H+](CC)[C@H](C)C(=O)Nc1ccc(F)cc1N ZINC000111116495 186353517 /nfs/dbraw/zinc/35/35/17/186353517.db2.gz KDHGIUSFROSHME-LLVKDONJSA-N 1 0 297.374 2.093 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1ccncn1)c1ccncc1 ZINC000111113322 186354134 /nfs/dbraw/zinc/35/41/34/186354134.db2.gz XUIBHYDIAWLRLL-AAEUAGOBSA-N 1 0 260.366 2.442 10 0 CEAERO CCOCCN(CC)[C@H](C[NH3+])c1ccc(F)c(C)c1 ZINC000111117354 186354917 /nfs/dbraw/zinc/35/49/17/186354917.db2.gz ZSUJOOVQIXLGQB-OAHLLOKOSA-N 1 0 268.376 2.492 10 0 CEAERO CCC[NH2+]Cc1cc(N(CC)CCOCC)ccn1 ZINC000111123544 186355003 /nfs/dbraw/zinc/35/50/03/186355003.db2.gz QMMFWICZSDKGRQ-UHFFFAOYSA-N 1 0 265.401 2.444 10 0 CEAERO CCCc1ccc(C(=O)CN(C)CC[NH+](C)C)cc1 ZINC000111139831 186357524 /nfs/dbraw/zinc/35/75/24/186357524.db2.gz RWHLKJVUYRQEME-UHFFFAOYSA-N 1 0 262.397 2.315 10 0 CEAERO CCNc1nc(CN(C)CC[NH+](C)C)nc2sccc21 ZINC000111146115 186359093 /nfs/dbraw/zinc/35/90/93/186359093.db2.gz IJPSSZSWYUDGIS-UHFFFAOYSA-N 1 0 293.440 2.117 10 0 CEAERO C[C@H]([NH3+])[C@H](c1cccs1)N(C)C[C@@H]1CCCOC1 ZINC000111154646 186360118 /nfs/dbraw/zinc/36/01/18/186360118.db2.gz ZGYDEEDUDOMXNM-SGMGOOAPSA-N 1 0 268.426 2.495 10 0 CEAERO CC1CC[NH+](CCn2cc(Br)cn2)CC1 ZINC000111192367 186368075 /nfs/dbraw/zinc/36/80/75/186368075.db2.gz NNCGEARFHGVQCQ-UHFFFAOYSA-N 1 0 272.190 2.378 10 0 CEAERO C[C@H]([C@H](N)c1ccccc1)[N@H+](C)CC1CCOCC1 ZINC000111161606 186363890 /nfs/dbraw/zinc/36/38/90/186363890.db2.gz WPEVOQJWCIWQRN-CJNGLKHVSA-N 1 0 262.397 2.433 10 0 CEAERO COc1ccc([C@H](N)[C@@H](C)[N@H+](C)CC2CCOCC2)cc1 ZINC000111161934 186363960 /nfs/dbraw/zinc/36/39/60/186363960.db2.gz DOBSNUSUWZFLEX-CXAGYDPISA-N 1 0 292.423 2.442 10 0 CEAERO COc1ccc([C@@H](O)[C@H](C)[N@H+](C)CC2CCOCC2)cc1 ZINC000111168819 186364248 /nfs/dbraw/zinc/36/42/48/186364248.db2.gz MHNSRZOCPKPGBN-GUYCJALGSA-N 1 0 293.407 2.476 10 0 CEAERO CCOc1ccc([C@H](C)NC(=O)[C@H]2CC[C@H]([NH3+])C2)cc1 ZINC000091540190 539807421 /nfs/dbraw/zinc/80/74/21/539807421.db2.gz PSKXFMCOEDCIHK-UBHSHLNASA-N 1 0 276.380 2.390 10 0 CEAERO CC[C@H](C)[NH2+]C[C@@H](C)Sc1nnc(N(C)C)s1 ZINC000111317384 186395699 /nfs/dbraw/zinc/39/56/99/186395699.db2.gz CUCNHGPYEUMPCE-DTWKUNHWSA-N 1 0 274.459 2.473 10 0 CEAERO C[C@H](c1cccs1)N(C)[C@@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111320947 186397688 /nfs/dbraw/zinc/39/76/88/186397688.db2.gz VYAFFVAYBGWDSK-UPJWGTAASA-N 1 0 268.426 2.495 10 0 CEAERO CN(Cc1ccccn1)C[C@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111325498 186398889 /nfs/dbraw/zinc/39/88/89/186398889.db2.gz ORTBTJMZZPQOBH-QGZVFWFLSA-N 1 0 289.423 2.062 10 0 CEAERO CCn1c2ncccc2nc1[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111348770 186402836 /nfs/dbraw/zinc/40/28/36/186402836.db2.gz UQFCMDUZXPANLO-LBPRGKRZSA-N 1 0 284.285 2.245 10 0 CEAERO CC[C@@H](C)N(CC)C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111243580 186376190 /nfs/dbraw/zinc/37/61/90/186376190.db2.gz BLDWJOQBYUBEJP-MWLCHTKSSA-N 1 0 266.307 2.175 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)OCc1ccccc1Cl ZINC000111257499 186379759 /nfs/dbraw/zinc/37/97/59/186379759.db2.gz XQCUJIHEPJREGP-GXSJLCMTSA-N 1 0 253.729 2.239 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccccc1C(F)(F)F ZINC000111262872 186380134 /nfs/dbraw/zinc/38/01/34/186380134.db2.gz XMGBRIRJTBQHFS-IUCAKERBSA-N 1 0 272.270 2.499 10 0 CEAERO CSc1cccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2C)c1 ZINC000111262747 186380725 /nfs/dbraw/zinc/38/07/25/186380725.db2.gz XIUGEOPTHQBGHG-CABZTGNLSA-N 1 0 250.367 2.203 10 0 CEAERO Cc1c(Cl)cccc1NC(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000111262906 186380808 /nfs/dbraw/zinc/38/08/08/186380808.db2.gz DZOSLEJRWCQNQQ-SCZZXKLOSA-N 1 0 252.745 2.442 10 0 CEAERO COc1cc(NC(=O)[C@H]2C[NH2+]C[C@H]2C)c(OC)cc1Cl ZINC000111262923 186380975 /nfs/dbraw/zinc/38/09/75/186380975.db2.gz BQHQBDUXXNECHR-BDAKNGLRSA-N 1 0 298.770 2.151 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000111263893 186381233 /nfs/dbraw/zinc/38/12/33/186381233.db2.gz PKSAXEAXZHRZGC-RHSMWYFYSA-N 1 0 286.419 2.323 10 0 CEAERO CC(C)OC(=O)c1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000111265150 186382212 /nfs/dbraw/zinc/38/22/12/186382212.db2.gz SIJZNSJKNRRJHY-BXUZGUMPSA-N 1 0 290.363 2.046 10 0 CEAERO CCOc1ccc([C@H](C)NC(=O)[C@@H]2C[NH2+]C[C@@H]2C)cc1 ZINC000111267078 186383237 /nfs/dbraw/zinc/38/32/37/186383237.db2.gz XCJCSXIDXXTRCP-SLEUVZQESA-N 1 0 276.380 2.118 10 0 CEAERO C[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1OC(F)F ZINC000111266410 186383479 /nfs/dbraw/zinc/38/34/79/186383479.db2.gz FHCMTHXYJAUJHX-JFGNBEQYSA-N 1 0 298.333 2.321 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)NCc1cccc2ccccc21 ZINC000111272391 186385366 /nfs/dbraw/zinc/38/53/66/186385366.db2.gz JAUZNMQUGJQZKQ-LRDDRELGSA-N 1 0 268.360 2.312 10 0 CEAERO CCN(C(=O)[C@@H]1C[NH2+]C[C@@H]1C)c1ccc(F)cc1 ZINC000111272244 186385580 /nfs/dbraw/zinc/38/55/80/186385580.db2.gz BIXITSWDNWWOHD-GXFFZTMASA-N 1 0 250.317 2.034 10 0 CEAERO [NH3+]Cc1ccc(C(=O)Nc2ccc3c(c2)CCC3)nc1 ZINC000111281272 186387641 /nfs/dbraw/zinc/38/76/41/186387641.db2.gz YPIOJROPMPLODE-UHFFFAOYSA-N 1 0 267.332 2.281 10 0 CEAERO C[C@H](NC(=O)c1ccc(C[NH3+])cn1)c1ccccc1 ZINC000111281066 186387677 /nfs/dbraw/zinc/38/76/77/186387677.db2.gz YKRHYBDPTGIQIY-NSHDSACASA-N 1 0 255.321 2.031 10 0 CEAERO [NH3+]Cc1ccc(C(=O)Nc2ccc(F)cc2F)nc1 ZINC000111281116 186388789 /nfs/dbraw/zinc/38/87/89/186388789.db2.gz LXZYUWXUOOQPMN-UHFFFAOYSA-N 1 0 263.247 2.071 10 0 CEAERO CCCc1c(Cl)ncnc1N[C@@H]1CC[N@H+](C)C1 ZINC000111297330 186392973 /nfs/dbraw/zinc/39/29/73/186392973.db2.gz YGUVCYDFPHBOGQ-SECBINFHSA-N 1 0 254.765 2.199 10 0 CEAERO C[C@@H]1C[C@@H](C)CN(c2nc3sccn3c2CC[NH3+])C1 ZINC000111478547 186421598 /nfs/dbraw/zinc/42/15/98/186421598.db2.gz ARDBQTHDAQURMV-GHMZBOCLSA-N 1 0 278.425 2.379 10 0 CEAERO Cc1nn(C)c(N(C)[C@H](C)c2cccs2)c1CC[NH3+] ZINC000111483420 186423120 /nfs/dbraw/zinc/42/31/20/186423120.db2.gz DWIVBTGKDMLZJP-LLVKDONJSA-N 1 0 278.425 2.489 10 0 CEAERO Cc1nn(C)c(N(C)[C@H]2CCCC[C@@H]2C)c1CC[NH3+] ZINC000111485225 186423148 /nfs/dbraw/zinc/42/31/48/186423148.db2.gz CMCKJSYLDBQKSE-FZMZJTMJSA-N 1 0 264.417 2.245 10 0 CEAERO C[C@H]1C[C@@H]1NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000111490326 186423642 /nfs/dbraw/zinc/42/36/42/186423642.db2.gz YFCTXBGLGKFNBD-KBPBESRZSA-N 1 0 267.417 2.350 10 0 CEAERO CC(C)C[NH2+]Cc1cc(F)ccc1Sc1nnnn1C ZINC000111555164 186428057 /nfs/dbraw/zinc/42/80/57/186428057.db2.gz SPDOTSCZHQSACU-UHFFFAOYSA-N 1 0 295.387 2.246 10 0 CEAERO Cn1cc(Sc2c(F)cc(CC[NH3+])cc2F)cn1 ZINC000111588876 186429463 /nfs/dbraw/zinc/42/94/63/186429463.db2.gz HASAKKNGQWUGCU-UHFFFAOYSA-N 1 0 269.320 2.351 10 0 CEAERO C[C@H]([NH3+])Cc1cc(F)c(Sc2nc[nH]n2)c(F)c1 ZINC000111580093 186430308 /nfs/dbraw/zinc/43/03/08/186430308.db2.gz VDYPDJOOJZVJLI-LURJTMIESA-N 1 0 270.308 2.124 10 0 CEAERO Cc1ncsc1CN(C)[C@@H](C)C[NH2+]C[C@@H]1CCCO1 ZINC000111677261 186440957 /nfs/dbraw/zinc/44/09/57/186440957.db2.gz WXIHECSSUVIWQK-AAEUAGOBSA-N 1 0 283.441 2.040 10 0 CEAERO C[NH2+][C@H](C)[C@H]1CCCCN1CC(=O)Nc1ccccc1C ZINC000111711236 186449420 /nfs/dbraw/zinc/44/94/20/186449420.db2.gz HWPNSBOHJQCRMG-GDBMZVCRSA-N 1 0 289.423 2.396 10 0 CEAERO [NH3+][C@H]1Cc2ccccc2[C@H]1NC(=O)c1ccccc1F ZINC000111367450 186406918 /nfs/dbraw/zinc/40/69/18/186406918.db2.gz IJGLDFQXIPZZGF-LSDHHAIUSA-N 1 0 270.307 2.180 10 0 CEAERO O[C@H]1COCC[C@H]1[NH2+]Cc1ccsc1C(F)(F)F ZINC000628468774 351108539 /nfs/dbraw/zinc/10/85/39/351108539.db2.gz YWPVQHXVHXBYLF-BDAKNGLRSA-N 1 0 281.299 2.006 10 0 CEAERO NC(=[NH2+])c1ccccc1NS(=O)(=O)CC1CCCCC1 ZINC000112889247 186539021 /nfs/dbraw/zinc/53/90/21/186539021.db2.gz MWBMYQJDAVTCGA-UHFFFAOYSA-N 1 0 295.408 2.293 10 0 CEAERO CC[C@@H]1CCC[N@@H+]1C[C@H](O)COCc1ccccc1 ZINC000070069742 363025504 /nfs/dbraw/zinc/02/55/04/363025504.db2.gz HIZCKMZRBQUCME-CVEARBPZSA-N 1 0 263.381 2.439 10 0 CEAERO COc1cc(C)c(CN2CCCC[C@H]2C[NH3+])cc1OC ZINC000070141792 363035060 /nfs/dbraw/zinc/03/50/60/363035060.db2.gz PQJLWXFAMHIQTN-AWEZNQCLSA-N 1 0 278.396 2.325 10 0 CEAERO CCO[C@H]1CCC[N@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000070197484 363052834 /nfs/dbraw/zinc/05/28/34/363052834.db2.gz LNZGPJMJLYDWJG-IRXDYDNUSA-N 1 0 293.407 2.065 10 0 CEAERO Cc1cc(N2C[C@H](C)[C@H](C[NH3+])C2)ncc1Br ZINC000630092483 351615983 /nfs/dbraw/zinc/61/59/83/351615983.db2.gz KFPBVWLRBVWGNI-VHSXEESVSA-N 1 0 284.201 2.184 10 0 CEAERO Cc1cc(N2CCC[NH2+]CC2)nc(-c2ccccc2F)n1 ZINC000070451934 363084176 /nfs/dbraw/zinc/08/41/76/363084176.db2.gz IZGDFXRIGYRLTK-UHFFFAOYSA-N 1 0 286.354 2.391 10 0 CEAERO CCCC[C@H](CC)C(=O)N1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630361524 351712429 /nfs/dbraw/zinc/71/24/29/351712429.db2.gz MMWOJBMJEYEKRJ-YDHLFZDLSA-N 1 0 270.417 2.168 10 0 CEAERO CO[C@H]1CN(CCCc2ccccc2)[C@@](C)(C[NH3+])C1 ZINC000630364368 351713033 /nfs/dbraw/zinc/71/30/33/351713033.db2.gz UZVQLTMRCARUCM-HZPDHXFCSA-N 1 0 262.397 2.057 10 0 CEAERO CC[C@H]1CC[C@H](C(=O)N2C[C@H](OC)C[C@]2(C)C[NH3+])CC1 ZINC000630371902 351715772 /nfs/dbraw/zinc/71/57/72/351715772.db2.gz CADIBTQNMRGWDY-IXYNUQLISA-N 1 0 282.428 2.168 10 0 CEAERO C[C@@H]1CC[C@H](Nc2ccc(OC(F)F)cn2)C[NH2+]1 ZINC000630534100 351775194 /nfs/dbraw/zinc/77/51/94/351775194.db2.gz ULZYUBZJGHCRGJ-BDAKNGLRSA-N 1 0 257.284 2.235 10 0 CEAERO C[C@@H]1CC[C@@H](Nc2nccc(C(F)(F)F)n2)C[NH2+]1 ZINC000630533583 351775378 /nfs/dbraw/zinc/77/53/78/351775378.db2.gz DUGZYTFPBFGZES-HTQZYQBOSA-N 1 0 260.263 2.048 10 0 CEAERO Cc1ccc(-c2cc(N3CC[C@H]([NH3+])C3)n[nH]2)cc1C ZINC000070460212 363088282 /nfs/dbraw/zinc/08/82/82/363088282.db2.gz BZEYTAOKYQOKBW-ZDUSSCGKSA-N 1 0 256.353 2.231 10 0 CEAERO [NH3+][C@H](CCNc1ccc(F)cn1)Cc1ccccc1 ZINC000630569946 351788147 /nfs/dbraw/zinc/78/81/47/351788147.db2.gz KUVDJVVJMNVVGB-CQSZACIVSA-N 1 0 259.328 2.015 10 0 CEAERO Cc1ccnc(N2C[C@@H](C)[C@@H](C[NH3+])C2)c1Br ZINC000630571726 351788638 /nfs/dbraw/zinc/78/86/38/351788638.db2.gz OMNSPEAXFLSIQQ-ZJUUUORDSA-N 1 0 284.201 2.184 10 0 CEAERO [NH3+]C1(CNc2ccnc(C(F)(F)F)c2)CCOCC1 ZINC000630524477 351772603 /nfs/dbraw/zinc/77/26/03/351772603.db2.gz PBKHKDHARPINSC-UHFFFAOYSA-N 1 0 275.274 2.020 10 0 CEAERO Cc1ccnc(N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000630530125 351774064 /nfs/dbraw/zinc/77/40/64/351774064.db2.gz YKGXROBLCQJEMN-WDEREUQCSA-N 1 0 273.302 2.354 10 0 CEAERO c1cnn(C[C@@H]2C[N@H+](Cc3cccc4[nH]ccc43)CCO2)c1 ZINC000122325043 187027013 /nfs/dbraw/zinc/02/70/13/187027013.db2.gz GABDPBLRIKZHKR-HNNXBMFYSA-N 1 0 296.374 2.265 10 0 CEAERO [NH3+]CCOc1ccc(NC(=O)Cc2ccsc2)cc1 ZINC000122445305 187032965 /nfs/dbraw/zinc/03/29/65/187032965.db2.gz MWEYCSFGOKJUGE-UHFFFAOYSA-N 1 0 276.361 2.267 10 0 CEAERO COCCOc1ccc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000070575508 363097090 /nfs/dbraw/zinc/09/70/90/363097090.db2.gz PNJXAAWYUGHNNN-QWHCGFSZSA-N 1 0 292.379 2.168 10 0 CEAERO [NH3+][C@H](c1cc(Br)cs1)c1cncnc1 ZINC000070598943 363101013 /nfs/dbraw/zinc/10/10/13/363101013.db2.gz SCTDLJWWUHWYLX-VIFPVBQESA-N 1 0 270.155 2.349 10 0 CEAERO CC(C)(C)OC(=O)N1[C@@H](C(F)(F)F)CC[C@H]1C[NH3+] ZINC000071372637 363108937 /nfs/dbraw/zinc/10/89/37/363108937.db2.gz GQOHUHQEYJOQJV-JGVFFNPUSA-N 1 0 268.279 2.276 10 0 CEAERO COc1ccc([C@H]([NH3+])CO)cc1OCc1ccccc1 ZINC000072199480 363121562 /nfs/dbraw/zinc/12/15/62/363121562.db2.gz FEHHEYDKMBTXPP-CQSZACIVSA-N 1 0 273.332 2.266 10 0 CEAERO CC(=O)c1cc(F)ccc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094461322 539879721 /nfs/dbraw/zinc/87/97/21/539879721.db2.gz SKNGJDWESILUHQ-CYBMUJFWSA-N 1 0 262.328 2.313 10 0 CEAERO Cc1cc(C)c(O)c(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000094574551 539882555 /nfs/dbraw/zinc/88/25/55/539882555.db2.gz ODMSYOIZIVEEPL-NEPJUHHUSA-N 1 0 262.353 2.323 10 0 CEAERO COc1ccc(N(C)C(=O)[C@H]2CCC[NH2+][C@H]2C)cc1 ZINC000094648027 539883842 /nfs/dbraw/zinc/88/38/42/539883842.db2.gz SKMBMIOQXDTHCL-FZMZJTMJSA-N 1 0 262.353 2.046 10 0 CEAERO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1CC1CCOCC1 ZINC000252694205 539893242 /nfs/dbraw/zinc/89/32/42/539893242.db2.gz XYKLUNNXSMSORD-HOTGVXAUSA-N 1 0 266.429 2.362 10 0 CEAERO CCC[NH2+][C@H](CO)CN1CCCc2cc(C)ccc21 ZINC000085216440 535192140 /nfs/dbraw/zinc/19/21/40/535192140.db2.gz KGNDYDHKFURISI-HNNXBMFYSA-N 1 0 262.397 2.108 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@H]2CCC[C@H]21 ZINC000251078207 539971843 /nfs/dbraw/zinc/97/18/43/539971843.db2.gz GPOHAAVEYYIIOR-ZOBORPQBSA-N 1 0 250.386 2.153 10 0 CEAERO COCOc1ccc(OC)cc1C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000154479702 188145149 /nfs/dbraw/zinc/14/51/49/188145149.db2.gz MVWJTJMCKRPOAI-IUODEOHRSA-N 1 0 295.379 2.335 10 0 CEAERO CC[C@H]1CN(c2nc(C(C)C)ns2)CC[C@H]1[NH3+] ZINC000251530864 539976614 /nfs/dbraw/zinc/97/66/14/539976614.db2.gz AIVMMDGAZHKIRN-VHSXEESVSA-N 1 0 254.403 2.225 10 0 CEAERO Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000155737893 188223836 /nfs/dbraw/zinc/22/38/36/188223836.db2.gz MXXXXUZRLYIMDK-GOEBONIOSA-N 1 0 274.408 2.382 10 0 CEAERO COc1ccsc1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000155769698 188226714 /nfs/dbraw/zinc/22/67/14/188226714.db2.gz JZDLVUYMBJQINZ-MNOVXSKESA-N 1 0 282.409 2.215 10 0 CEAERO C[C@H]([NH3+])C(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000157136934 188299160 /nfs/dbraw/zinc/29/91/60/188299160.db2.gz FXKLJKOPQSPZRY-LBPRGKRZSA-N 1 0 258.321 2.156 10 0 CEAERO CC[NH+]1CCC(CCNC(=O)N[C@H](C)C(C)C)CC1 ZINC000073441057 363219387 /nfs/dbraw/zinc/21/93/87/363219387.db2.gz CLYLLUGSRQJUIN-CYBMUJFWSA-N 1 0 269.433 2.452 10 0 CEAERO O[C@H]1C[NH2+][C@@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000132264966 366131011 /nfs/dbraw/zinc/13/10/11/366131011.db2.gz POFLYMLYUPSIQG-NXEZZACHSA-N 1 0 299.252 2.151 10 0 CEAERO C[C@@H](C[NH3+])N(C)c1ncc(Cl)cc1Br ZINC000162903332 188594336 /nfs/dbraw/zinc/59/43/36/188594336.db2.gz FJKQMTVPFSTBET-LURJTMIESA-N 1 0 278.581 2.281 10 0 CEAERO CCc1ccc([C@@H](C)NC(=O)NCC[NH+](C)C)cc1 ZINC000133341019 366214448 /nfs/dbraw/zinc/21/44/48/366214448.db2.gz RLQBZQQGPDKGEO-GFCCVEGCSA-N 1 0 263.385 2.171 10 0 CEAERO CC(C)(C)OC(=O)N1CC(c2ccoc2)=C[C@H]([NH3+])C1 ZINC000675077353 540118524 /nfs/dbraw/zinc/11/85/24/540118524.db2.gz CUQABYVYYQBJOS-LBPRGKRZSA-N 1 0 264.325 2.241 10 0 CEAERO CC(C)(C)OC(=O)N1CC(C2CCC2)=C[C@H]([NH3+])C1 ZINC000675077935 540119076 /nfs/dbraw/zinc/11/90/76/540119076.db2.gz KERRCMOIUCEQSJ-LBPRGKRZSA-N 1 0 252.358 2.291 10 0 CEAERO CC(C)C(=O)N1[C@H](CC[NH3+])CCC[C@H]1C(F)(F)F ZINC000675072293 540113580 /nfs/dbraw/zinc/11/35/80/540113580.db2.gz BFILUYYBFVHPGX-UWVGGRQHSA-N 1 0 266.307 2.303 10 0 CEAERO C[C@H](C(=O)NC[C@@H]1C[C@@H]2C[C@@H]([NH3+])[C@@H]2C1)C(C)(C)C ZINC000675071199 540113604 /nfs/dbraw/zinc/11/36/04/540113604.db2.gz XLOBDVAEOHDIEN-SYLRKERUSA-N 1 0 252.402 2.158 10 0 CEAERO CCC(=O)N1[C@@H](CC[NH3+])CCC[C@@H]1C(F)(F)F ZINC000675073299 540115016 /nfs/dbraw/zinc/11/50/16/540115016.db2.gz MIHFMMMNRGYVBM-RKDXNWHRSA-N 1 0 252.280 2.057 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@@]2(CC1)OCC[C@H]2C[NH3+] ZINC000675080439 540119743 /nfs/dbraw/zinc/11/97/43/540119743.db2.gz QOXGVRKVDHHCOR-WFASDCNBSA-N 1 0 284.400 2.141 10 0 CEAERO CCOc1cc(N[C@@H](C)CCCC[NH3+])nc(C)n1 ZINC000380907731 540136797 /nfs/dbraw/zinc/13/67/97/540136797.db2.gz RSIRPFBKFVMSAJ-JTQLQIEISA-N 1 0 252.362 2.113 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]C(C2CCC2)C2CCC2)C1 ZINC000382365223 540147952 /nfs/dbraw/zinc/14/79/52/540147952.db2.gz KRVKUPXRLRGWFB-HNNXBMFYSA-N 1 0 266.429 2.266 10 0 CEAERO C[C@H]1C[C@@]2(C=CC(=O)N2c2cccc(F)c2)CC[NH2+]1 ZINC000033358719 291099973 /nfs/dbraw/zinc/09/99/73/291099973.db2.gz MSHAGNFMSJIZNP-XHDPSFHLSA-N 1 0 260.312 2.239 10 0 CEAERO O[C@H](c1ccsc1Br)[C@H]1C=CC[NH2+]1 ZINC000575544429 366294633 /nfs/dbraw/zinc/29/46/33/366294633.db2.gz VPWBHYQUAIBMBV-HTQZYQBOSA-N 1 0 260.156 2.072 10 0 CEAERO O=C(c1ccc2c[nH+]cn2c1)N1CCC[C@H](n2cccn2)C1 ZINC000328799339 202062376 /nfs/dbraw/zinc/06/23/76/202062376.db2.gz HDDKLURDQJKMHJ-HNNXBMFYSA-N 1 0 295.346 2.008 10 0 CEAERO CCc1cc(C[NH3+])c(OC)cc1I ZINC000575725689 366348821 /nfs/dbraw/zinc/34/88/21/366348821.db2.gz MPFMOZMNOCUOJF-UHFFFAOYSA-N 1 0 291.132 2.321 10 0 CEAERO CCCCOC[C@@H](O)C[N@H+](C)Cc1ccsc1 ZINC000227905544 538769577 /nfs/dbraw/zinc/76/95/77/538769577.db2.gz OBIKNQCKAUZMKV-ZDUSSCGKSA-N 1 0 257.399 2.358 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)OCC1CC1 ZINC000119617346 538794546 /nfs/dbraw/zinc/79/45/46/538794546.db2.gz WWQGPHGGYOKHEO-DZGCQCFKSA-N 1 0 282.428 2.038 10 0 CEAERO CCN1CC[C@H]([NH2+]Cc2ccc3cnccc3c2)C1 ZINC000389314755 540350870 /nfs/dbraw/zinc/35/08/70/540350870.db2.gz GMPWOZIVXYUUER-INIZCTEOSA-N 1 0 255.365 2.419 10 0 CEAERO O[C@@H]1CCCCC[C@H]1[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC000135667379 366465071 /nfs/dbraw/zinc/46/50/71/366465071.db2.gz XPOBKFVWEVEUMT-HZPDHXFCSA-N 1 0 286.379 2.051 10 0 CEAERO Cc1ccccc1OCCN(C)C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000136149492 366498837 /nfs/dbraw/zinc/49/88/37/366498837.db2.gz FMKYNGRZUDFZKD-KRWDZBQOSA-N 1 0 290.407 2.364 10 0 CEAERO CC[C@@H](NC(=O)C[C@H]1CCC[NH2+]C1)c1nccs1 ZINC000080268981 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CC[C@@H]1C[N@H+](C[C@H](O)COCc2ccccc2)C[C@H](C)O1 ZINC000151323249 366638017 /nfs/dbraw/zinc/63/80/17/366638017.db2.gz IGJLLKYPUXWGCE-BHYGNILZSA-N 1 0 293.407 2.063 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc2ncsc2c1 ZINC000178152522 283512630 /nfs/dbraw/zinc/51/26/30/283512630.db2.gz ZFRTVPQNULAPMB-MNOVXSKESA-N 1 0 275.377 2.154 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)NCc1ccc(Cl)cc1OC ZINC000236965079 370667172 /nfs/dbraw/zinc/66/71/72/370667172.db2.gz NQAJABVUPOWJDC-LLVKDONJSA-N 1 0 270.760 2.092 10 0 CEAERO CCOC(=O)CCC[NH2+][C@H]1CCc2c1cccc2O ZINC000081544856 363727486 /nfs/dbraw/zinc/72/74/86/363727486.db2.gz XBHAYYWSJRIHAK-ZDUSSCGKSA-N 1 0 263.337 2.312 10 0 CEAERO Cc1ccc2cc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)ccc2n1 ZINC000178525458 189123810 /nfs/dbraw/zinc/12/38/10/189123810.db2.gz XHOPZCZXAZZVHQ-MRXNPFEDSA-N 1 0 295.386 2.463 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccccn1 ZINC000178929503 189155660 /nfs/dbraw/zinc/15/56/60/189155660.db2.gz RBHXKJOTIRGAIX-OAHLLOKOSA-N 1 0 290.411 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DVJCVCPBWONUSU-MXWKQRLJSA-N 1 0 254.403 2.454 10 0 CEAERO CCC[NH2+][C@@](CO)(CN(C)[C@@H](C)C(C)C)C1CC1 ZINC000085240352 184608169 /nfs/dbraw/zinc/60/81/69/184608169.db2.gz OECRQNLYVZBFBX-DZGCQCFKSA-N 1 0 256.434 2.103 10 0 CEAERO CCN(CC[C@@H](CO)[NH2+]C1CC1)c1cccc(C)c1 ZINC000085241334 184608830 /nfs/dbraw/zinc/60/88/30/184608830.db2.gz OQHSBVUPZGUSDI-HNNXBMFYSA-N 1 0 262.397 2.324 10 0 CEAERO Cc1nsc(N2CCC(C[NH2+]C(C)(C)C)CC2)n1 ZINC000087632866 184613024 /nfs/dbraw/zinc/61/30/24/184613024.db2.gz WMMPZVGSTPSOIR-UHFFFAOYSA-N 1 0 268.430 2.451 10 0 CEAERO CC[NH2+]Cc1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 ZINC000088912542 184614607 /nfs/dbraw/zinc/61/46/07/184614607.db2.gz SPRUXCFBGHVJPU-CYBMUJFWSA-N 1 0 296.436 2.217 10 0 CEAERO CC[C@@H](C)N(CC)S(=O)(=O)Cc1ccc(C[NH2+]C)cc1 ZINC000088950953 184615121 /nfs/dbraw/zinc/61/51/21/184615121.db2.gz OJWSCTRHPANJQP-CYBMUJFWSA-N 1 0 298.452 2.356 10 0 CEAERO CC[C@@H](C)CN(C)S(=O)(=O)c1cccc(C[NH3+])c1C ZINC000088953689 184615714 /nfs/dbraw/zinc/61/57/14/184615714.db2.gz SOFFOFOPTKOKCE-LLVKDONJSA-N 1 0 284.425 2.120 10 0 CEAERO CCC[NH2+]C[C@](C)(O)COc1ccccc1Cl ZINC000090822796 184618273 /nfs/dbraw/zinc/61/82/73/184618273.db2.gz STKSUYCRKDSGPG-ZDUSSCGKSA-N 1 0 257.761 2.469 10 0 CEAERO CC(C)[NH2+]C[C@](C)(O)CN(C)Cc1ccc(F)cc1 ZINC000090821839 184618289 /nfs/dbraw/zinc/61/82/89/184618289.db2.gz OBOLGLAEJJLTTF-HNNXBMFYSA-N 1 0 268.376 2.007 10 0 CEAERO C[NH2+]C[C@@H](C)OC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000092743078 184624493 /nfs/dbraw/zinc/62/44/93/184624493.db2.gz HAUAEHVYQSYIOQ-QFGHMXTESA-N 1 0 266.385 2.289 10 0 CEAERO CCC[NH2+][C@@H]1c2cc(OC)ccc2C[C@@H]1SCCO ZINC000092860255 184632382 /nfs/dbraw/zinc/63/23/82/184632382.db2.gz WCGHHWFPWRKDKV-LSDHHAIUSA-N 1 0 281.421 2.386 10 0 CEAERO COC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000093028900 184643631 /nfs/dbraw/zinc/64/36/31/184643631.db2.gz QBRNXIFTIGWEKT-LALPHHSUSA-N 1 0 261.365 2.331 10 0 CEAERO CC[NH2+]C[C@H]1CCO[C@H]1c1cc(OC)c(OC)cc1OC ZINC000092863341 184632952 /nfs/dbraw/zinc/63/29/52/184632952.db2.gz KKCPPKXLKJJXJV-BDJLRTHQSA-N 1 0 295.379 2.400 10 0 CEAERO COCC[NH2+]C[C@H]1CCO[C@H]1c1cc(OC)ccc1OC ZINC000092881970 184633471 /nfs/dbraw/zinc/63/34/71/184633471.db2.gz IDDBQMCWISGHQH-MLGOLLRUSA-N 1 0 295.379 2.017 10 0 CEAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000092951722 184637218 /nfs/dbraw/zinc/63/72/18/184637218.db2.gz PRRSYYWAGQLPDV-ONGXEEELSA-N 1 0 276.336 2.130 10 0 CEAERO C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1c2nsnc2ccc1Cl ZINC000092957356 184637539 /nfs/dbraw/zinc/63/75/39/184637539.db2.gz KDJZPEMVUBYZMI-RNFRBKRXSA-N 1 0 296.783 2.281 10 0 CEAERO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCC1CCC(C)CC1 ZINC000092957098 184637641 /nfs/dbraw/zinc/63/76/41/184637641.db2.gz NEDWWNXCLBGURQ-HHTDUIENSA-N 1 0 252.402 2.317 10 0 CEAERO CC(C)n1ncnc1CC1(c2ccccc2F)C[NH2+]C1 ZINC000093196964 184654793 /nfs/dbraw/zinc/65/47/93/184654793.db2.gz ZNXMXTDPYLFKQZ-UHFFFAOYSA-N 1 0 274.343 2.082 10 0 CEAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]([NH2+]C2CCC(O)CC2)C1 ZINC000093205245 184655281 /nfs/dbraw/zinc/65/52/81/184655281.db2.gz XSDNMWMJVQUPOS-YIFLHPOLSA-N 1 0 298.427 2.325 10 0 CEAERO CCS(=O)(=O)CC[C@@H](C[NH2+]C)c1ccccc1Cl ZINC000093180079 184653727 /nfs/dbraw/zinc/65/37/27/184653727.db2.gz ZHVUYOOZISKVOJ-NSHDSACASA-N 1 0 289.828 2.468 10 0 CEAERO CC[NH2+]Cc1cn(C)nc1-c1ccc(F)c(F)c1 ZINC000093296993 184661163 /nfs/dbraw/zinc/66/11/63/184661163.db2.gz DXIUEZNBBDNEBG-UHFFFAOYSA-N 1 0 251.280 2.475 10 0 CEAERO CCn1cc(-c2nn(C)cc2C[NH2+]CC(C)C)cn1 ZINC000093297487 184661254 /nfs/dbraw/zinc/66/12/54/184661254.db2.gz FRFBZEBMPPTJFH-UHFFFAOYSA-N 1 0 261.373 2.049 10 0 CEAERO [NH3+][C@@H]1CC[C@H](OC(=O)Nc2ccc(F)cc2F)C1 ZINC000093220376 184656640 /nfs/dbraw/zinc/65/66/40/184656640.db2.gz WDQZDXMYIRIYMA-BDAKNGLRSA-N 1 0 256.252 2.393 10 0 CEAERO C[C@]1(c2ccncc2)CNC(=[NH2+])N1Cc1ccccc1 ZINC000093357210 184666542 /nfs/dbraw/zinc/66/65/42/184666542.db2.gz VLGODJAOTAXCDY-MRXNPFEDSA-N 1 0 266.348 2.127 10 0 CEAERO C[C@@]1(c2cccc(Br)c2)CNC(=[NH2+])N1C1CC1 ZINC000093373965 184668265 /nfs/dbraw/zinc/66/82/65/184668265.db2.gz AMPQRTNFNFCMFN-ZDUSSCGKSA-N 1 0 294.196 2.457 10 0 CEAERO Cc1ccccc1N1C(N)=[NH+]C[C@@]12CCOC(C)(C)C2 ZINC000093377233 184668612 /nfs/dbraw/zinc/66/86/12/184668612.db2.gz GYJAPBROOSYGLO-INIZCTEOSA-N 1 0 273.380 2.458 10 0 CEAERO Cc1ccccc1N1C(=[NH2+])NCC12CCSCC2 ZINC000093377452 184668742 /nfs/dbraw/zinc/66/87/42/184668742.db2.gz GLSUZWKCPQKPBA-UHFFFAOYSA-N 1 0 261.394 2.396 10 0 CEAERO Cc1n[nH]c(C)c1[C@@H]1CNC(=[NH2+])N1c1cccc(C)c1 ZINC000093379970 184669227 /nfs/dbraw/zinc/66/92/27/184669227.db2.gz GTEZMQXMRJFPGB-ZDUSSCGKSA-N 1 0 269.352 2.421 10 0 CEAERO COc1ccc([C@H]2CNC(=[NH2+])N2CC2CC2)cc1C ZINC000093393590 184670169 /nfs/dbraw/zinc/67/01/69/184670169.db2.gz CNZWZVYITCTWSZ-CYBMUJFWSA-N 1 0 259.353 2.085 10 0 CEAERO C[C@H](O)c1ccccc1NC(=O)C1CCC(C[NH3+])CC1 ZINC000093425652 184674152 /nfs/dbraw/zinc/67/41/52/184674152.db2.gz JVNILTHRQIMLLK-HIFPTAJRSA-N 1 0 276.380 2.444 10 0 CEAERO C[NH2+][C@H](C)[C@H](C)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000081935768 177902466 /nfs/dbraw/zinc/90/24/66/177902466.db2.gz CQYLRYOLHBUECY-BDAKNGLRSA-N 1 0 295.326 2.476 10 0 CEAERO CCC[NH2+][C@H](C)CCS(=O)(=O)c1ccc(OC)cc1 ZINC000081923346 177896595 /nfs/dbraw/zinc/89/65/95/177896595.db2.gz GIGMARGBGWSWCJ-GFCCVEGCSA-N 1 0 285.409 2.247 10 0 CEAERO C[NH2+][C@@H](C)[C@H](C)S(=O)(=O)c1ccc(C)cc1C ZINC000081922426 177895872 /nfs/dbraw/zinc/89/58/72/177895872.db2.gz GQBZBNHJXQWJIL-RYUDHWBXSA-N 1 0 255.383 2.074 10 0 CEAERO CCC[NH2+]CCCS(=O)(=O)c1ccc(C)cc1 ZINC000081920951 177895082 /nfs/dbraw/zinc/89/50/82/177895082.db2.gz JRZLNQBTVNFQHN-UHFFFAOYSA-N 1 0 255.383 2.158 10 0 CEAERO C[NH2+][C@H](C)CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000081920322 177894354 /nfs/dbraw/zinc/89/43/54/177894354.db2.gz AFAKCAXCLFBBKK-SECBINFHSA-N 1 0 261.774 2.112 10 0 CEAERO C[NH2+][C@@H](C)[C@@H](C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000081920160 177894037 /nfs/dbraw/zinc/89/40/37/177894037.db2.gz KZKKKNNUSNFNFZ-DTWKUNHWSA-N 1 0 261.774 2.110 10 0 CEAERO C[NH2+][C@H]1CCC(C)(C)C[C@@H]1Sc1n[nH]c(=O)n1C1CC1 ZINC000081880208 177874879 /nfs/dbraw/zinc/87/48/79/177874879.db2.gz KTSWLSQJMUVPCV-QWRGUYRKSA-N 1 0 296.440 2.165 10 0 CEAERO CCn1c(S[C@H]2C[C@@H](C(C)(C)C)CC[C@@H]2[NH3+])n[nH]c1=O ZINC000081879812 177874246 /nfs/dbraw/zinc/87/42/46/177874246.db2.gz YROWBICPNWMXOA-DCAQKATOSA-N 1 0 298.456 2.226 10 0 CEAERO CC[NH2+][C@@H]1CCCC[C@@H]1Sc1nccc(=O)[nH]1 ZINC000081774920 177857126 /nfs/dbraw/zinc/85/71/26/177857126.db2.gz HFCKQWJVTAHTAY-ZJUUUORDSA-N 1 0 253.371 2.195 10 0 CEAERO CCCNC(=O)[C@H](C)[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000081631746 177833991 /nfs/dbraw/zinc/83/39/91/177833991.db2.gz DGGZETOADZCSAO-UBHSHLNASA-N 1 0 252.402 2.460 10 0 CEAERO c1cncc(N2CC[C@H]3C[N@@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC000253595376 256689270 /nfs/dbraw/zinc/68/92/70/256689270.db2.gz CPUHJROVHSSEBA-IRXDYDNUSA-N 1 0 294.402 2.435 10 0 CEAERO Cc1nnc([C@]23CCO[C@H]2CC[N@@H+](C2CCCCC2)C3)o1 ZINC000248015125 256693558 /nfs/dbraw/zinc/69/35/58/256693558.db2.gz KCLUFOXPWHZRRS-HOCLYGCPSA-N 1 0 291.395 2.443 10 0 CEAERO NC(=S)[C@@H](C[N@@H+]1CCCC[C@@H]1CCO)c1ccccc1 ZINC000080796492 177708676 /nfs/dbraw/zinc/70/86/76/177708676.db2.gz NVTVFUBPISQDCK-CABCVRRESA-N 1 0 292.448 2.293 10 0 CEAERO C[C@H](NC[C@@H]([NH3+])Cc1ccccc1)c1nccs1 ZINC000080310418 177638331 /nfs/dbraw/zinc/63/83/31/177638331.db2.gz HKWQBRUSXWXLHZ-AAEUAGOBSA-N 1 0 261.394 2.364 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1CCOc1ccc2c(c1)CCC(=O)N2 ZINC000093574093 184692206 /nfs/dbraw/zinc/69/22/06/184692206.db2.gz QJRDJGGQHLTXMC-FZMZJTMJSA-N 1 0 274.364 2.468 10 0 CEAERO O[C@H]1CCC[C@@H]1CCN1CC[NH+](C2CCCC2)CC1 ZINC000093585242 184693287 /nfs/dbraw/zinc/69/32/87/184693287.db2.gz BHVNVZHXCLMJCB-ZBFHGGJFSA-N 1 0 266.429 2.098 10 0 CEAERO C[NH2+][C@]1(C(N)=O)CCC[C@H]1CCSc1ccccc1 ZINC000093628530 184698635 /nfs/dbraw/zinc/69/86/35/184698635.db2.gz GTTZYKDEKBZEIG-SWLSCSKDSA-N 1 0 278.421 2.412 10 0 CEAERO CCC[NH2+][C@@]1(C(N)=O)CCC[C@@H]1CCSCC ZINC000093627810 184698647 /nfs/dbraw/zinc/69/86/47/184698647.db2.gz LBPCAPPNMJLBEJ-YPMHNXCESA-N 1 0 258.431 2.153 10 0 CEAERO CN(CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(F)(F)F ZINC000093678074 184704760 /nfs/dbraw/zinc/70/47/60/184704760.db2.gz QKACBUABSYVZGA-FGWVZKOKSA-N 1 0 250.308 2.401 10 0 CEAERO C[NH2+]C[C@@H](C)Cc1c(C)nc([C@@H](C)OC)nc1C ZINC000093693019 184707149 /nfs/dbraw/zinc/70/71/49/184707149.db2.gz IHUJZNHVHYYXEQ-JOYOIKCWSA-N 1 0 251.374 2.199 10 0 CEAERO CCC[C@](C)(C[NH2+]C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701501 184708061 /nfs/dbraw/zinc/70/80/61/184708061.db2.gz IERYCXHACMXNJL-KBPBESRZSA-N 1 0 290.473 2.074 10 0 CEAERO CCc1nc(CC)n(CC(C)(C)C[NH2+]C2CC2)n1 ZINC000093719453 184710038 /nfs/dbraw/zinc/71/00/38/184710038.db2.gz QSBPYGVQWBDVSZ-UHFFFAOYSA-N 1 0 250.390 2.181 10 0 CEAERO CC[NH+](CC)[C@H]1CCC[C@](NC(C)C)(C(=O)OC)C1 ZINC000093748569 184713144 /nfs/dbraw/zinc/71/31/44/184713144.db2.gz SNQWPJNJCRJLEI-DZGCQCFKSA-N 1 0 270.417 2.181 10 0 CEAERO [NH3+][C@]1(CO)CCC[C@H](Sc2ncnc3ccccc32)C1 ZINC000093786930 184722100 /nfs/dbraw/zinc/72/21/00/184722100.db2.gz FFVVZLPOOFYQRP-XHDPSFHLSA-N 1 0 289.404 2.354 10 0 CEAERO COc1ccc(S[C@H]2CCC[C@@]([NH3+])(CO)C2)cc1 ZINC000093786640 184722193 /nfs/dbraw/zinc/72/21/93/184722193.db2.gz RUIWUGHJFRCDSR-KBPBESRZSA-N 1 0 267.394 2.420 10 0 CEAERO CCC[NH2+][C@H](C)c1cc(F)ccc1SC[C@H](O)CO ZINC000093958084 184746068 /nfs/dbraw/zinc/74/60/68/184746068.db2.gz XUCJKAGTGVLVBN-ZYHUDNBSSA-N 1 0 287.400 2.332 10 0 CEAERO O=C(Nc1cccc(NCC2CC[NH2+]CC2)c1)C1CC1 ZINC000094009526 184749627 /nfs/dbraw/zinc/74/96/27/184749627.db2.gz ZPLNBIFESWBCRY-UHFFFAOYSA-N 1 0 273.380 2.447 10 0 CEAERO CC(C)N(CC1CC[NH2+]CC1)C(=O)C1CC=CC1 ZINC000094022986 184751133 /nfs/dbraw/zinc/75/11/33/184751133.db2.gz BXDXIKHZYKBVAS-UHFFFAOYSA-N 1 0 250.386 2.189 10 0 CEAERO [NH3+][C@@H](Cc1cccnc1)[C@@H]1CCCc2cccnc21 ZINC000094117363 184755637 /nfs/dbraw/zinc/75/56/37/184755637.db2.gz CAPUCRRKFVXHCE-GJZGRUSLSA-N 1 0 253.349 2.467 10 0 CEAERO C[NH2+][C@H](C)c1ccccc1NC(=O)[C@H]1CCO[C@@H]1C ZINC000094175128 184759827 /nfs/dbraw/zinc/75/98/27/184759827.db2.gz HEZIWOJZRUGURP-WZRBSPASSA-N 1 0 262.353 2.331 10 0 CEAERO [NH3+]CCC[C@@H]1CCCN1C(=O)c1ccc(F)c(F)c1F ZINC000094185987 184760889 /nfs/dbraw/zinc/76/08/89/184760889.db2.gz YGOLASVFTWGZGS-SECBINFHSA-N 1 0 286.297 2.447 10 0 CEAERO CCCCCNC(=O)[C@@H](C)Oc1ccc(C[C@@H](C)[NH3+])nc1 ZINC000094215764 184763516 /nfs/dbraw/zinc/76/35/16/184763516.db2.gz VHEWAIFKDYTOMK-CHWSQXEVSA-N 1 0 293.411 2.045 10 0 CEAERO CCOC(=O)[C@@H](C)Oc1ccc(C[NH2+]CC(C)C)nc1 ZINC000094212015 184763659 /nfs/dbraw/zinc/76/36/59/184763659.db2.gz QFVSHVKEZCPXBQ-GFCCVEGCSA-N 1 0 280.368 2.158 10 0 CEAERO CCOc1ccc2nc([C@H](C[NH3+])c3ccccc3)[nH]c2n1 ZINC000094262598 184770793 /nfs/dbraw/zinc/77/07/93/184770793.db2.gz IVOAJMNNXIQULO-GFCCVEGCSA-N 1 0 282.347 2.447 10 0 CEAERO COC1CC[NH+](C[C@H]2CCCC(C)(C)[C@H]2O)CC1 ZINC000094289217 184775969 /nfs/dbraw/zinc/77/59/69/184775969.db2.gz JWTGUSXDLNTJQJ-OCCSQVGLSA-N 1 0 255.402 2.284 10 0 CEAERO [NH3+]C1(CC(=O)Nc2c(F)cc(F)cc2F)CCC1 ZINC000094295660 184777793 /nfs/dbraw/zinc/77/77/93/184777793.db2.gz VELDRNHSZJPZPX-UHFFFAOYSA-N 1 0 258.243 2.314 10 0 CEAERO CCN(c1nc(C(F)(F)F)ccc1C(N)=[NH2+])C1CC1 ZINC000094336640 184783408 /nfs/dbraw/zinc/78/34/08/184783408.db2.gz DQUGRIQYAUDAPL-UHFFFAOYSA-N 1 0 272.274 2.373 10 0 CEAERO COCCCC[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000094370918 184790220 /nfs/dbraw/zinc/79/02/20/184790220.db2.gz AQYHSTOFWVOKEU-OLZOCXBDSA-N 1 0 259.415 2.057 10 0 CEAERO [NH3+][C@H]([C@@H]1CCOC1)[C@@H]1CCOC2(CCSCC2)C1 ZINC000094405115 184793943 /nfs/dbraw/zinc/79/39/43/184793943.db2.gz WDALINKLJFCALG-UPJWGTAASA-N 1 0 271.426 2.043 10 0 CEAERO Cc1nn([C@@H]2CCOC3(CCOCC3)C2)c(C)c1[C@@H](C)[NH3+] ZINC000094412320 184794375 /nfs/dbraw/zinc/79/43/75/184794375.db2.gz DLGBPOQRWUPOTO-BXUZGUMPSA-N 1 0 293.411 2.420 10 0 CEAERO CC[C@@H]([NH3+])Cc1cnn([C@@H]2CCOC3(CCOCC3)C2)c1 ZINC000094413281 184794434 /nfs/dbraw/zinc/79/44/34/184794434.db2.gz ZAVGRNAQCKMZOS-HUUCEWRRSA-N 1 0 293.411 2.064 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC2(CCOCC2)C1 ZINC000094411793 184794610 /nfs/dbraw/zinc/79/46/10/184794610.db2.gz QEMNSSJKXPIJKZ-MGPQQGTHSA-N 1 0 253.386 2.480 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)c1nnc2n1CCC2 ZINC000094423740 184795421 /nfs/dbraw/zinc/79/54/21/184795421.db2.gz NTOOZOYXPMBNPD-GHMZBOCLSA-N 1 0 278.400 2.221 10 0 CEAERO C[NH2+][C@@](C)(CC(=O)OC)c1cc(F)c(C)cc1F ZINC000094742238 184850666 /nfs/dbraw/zinc/85/06/66/184850666.db2.gz MHCRNOMZUTVFCH-ZDUSSCGKSA-N 1 0 257.280 2.271 10 0 CEAERO C[NH2+][C@H](Cc1ccn(C(C)C)n1)[C@]1(C)CCCO1 ZINC000094783297 184862890 /nfs/dbraw/zinc/86/28/90/184862890.db2.gz RNVLRRWARIYGAL-KGLIPLIRSA-N 1 0 251.374 2.164 10 0 CEAERO CCOC(=O)N1CCC([NH2+][C@H]2CCCS[C@H]2C)CC1 ZINC000094475547 184808171 /nfs/dbraw/zinc/80/81/71/184808171.db2.gz CQHXGTIZXVNNPX-AAEUAGOBSA-N 1 0 286.441 2.481 10 0 CEAERO [NH3+][C@@H](Cc1ccn(C2CCCC2)n1)[C@H]1CSCCO1 ZINC000094502582 184811313 /nfs/dbraw/zinc/81/13/13/184811313.db2.gz PRANMGUUGDLNGJ-UONOGXRCSA-N 1 0 281.425 2.000 10 0 CEAERO [NH3+][C@H](Cc1ccc2ccccc2n1)[C@@H]1CSCCO1 ZINC000094502589 184811836 /nfs/dbraw/zinc/81/18/36/184811836.db2.gz MYBXWEQUXHLCHT-HIFRSBDPSA-N 1 0 274.389 2.237 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccncc1)[C@H]1CSCCO1 ZINC000094504963 184812014 /nfs/dbraw/zinc/81/20/14/184812014.db2.gz KCAAZUHOCKMKSG-UONOGXRCSA-N 1 0 266.410 2.124 10 0 CEAERO COCCN1C(=O)CC[C@@H]([NH3+])[C@@H]1c1ccc(C2CC2)cc1 ZINC000094525092 184813859 /nfs/dbraw/zinc/81/38/59/184813859.db2.gz CXBUWLCAQIDQRI-WBVHZDCISA-N 1 0 288.391 2.201 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(Cc2nc3c(cccc3N)o2)CC1 ZINC000094542539 184815333 /nfs/dbraw/zinc/81/53/33/184815333.db2.gz BAYQZJFOJXAACA-GFCCVEGCSA-N 1 0 288.395 2.326 10 0 CEAERO C[C@@H]1C[C@@H]([NH3+])CN(Cc2cccc3cccnc32)C1 ZINC000094547656 184815608 /nfs/dbraw/zinc/81/56/08/184815608.db2.gz AWNKRLJAYBYSBZ-IUODEOHRSA-N 1 0 255.365 2.404 10 0 CEAERO CNC(=O)C[NH2+]C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000094544543 184815745 /nfs/dbraw/zinc/81/57/45/184815745.db2.gz QHLQJOAWJKNJHY-LCBVDAKKSA-N 1 0 250.386 2.071 10 0 CEAERO C[C@]12CC3CC([NH2+]CCS(C)(=O)=O)(C1)C[C@@](C)(C3)C2 ZINC000094544604 184816156 /nfs/dbraw/zinc/81/61/56/184816156.db2.gz IAUPGDNKGWQQPT-HFDVOGEKSA-N 1 0 285.453 2.370 10 0 CEAERO C[C@@H]1C[C@@H]([NH3+])CN(C(=O)Nc2ccc(F)cc2F)C1 ZINC000094550019 184816416 /nfs/dbraw/zinc/81/64/16/184816416.db2.gz XNSLKXQRERYKCL-PSASIEDQSA-N 1 0 269.295 2.166 10 0 CEAERO CC[C@H](C[NH3+])NC(=O)c1cc(C(F)(F)F)ccc1F ZINC000094597022 184822932 /nfs/dbraw/zinc/82/29/32/184822932.db2.gz CFICIFXPYMBNBB-MRVPVSSYSA-N 1 0 278.249 2.312 10 0 CEAERO C[NH2+]CC[C@H]1CCCCN1c1nc2cccc(C)n2n1 ZINC000094608490 184825286 /nfs/dbraw/zinc/82/52/86/184825286.db2.gz IGKKTARDNBDETE-CYBMUJFWSA-N 1 0 273.384 2.006 10 0 CEAERO CCS(=O)(=O)CCCOc1ccc(F)cc1[C@H](C)[NH3+] ZINC000094619994 184827446 /nfs/dbraw/zinc/82/74/46/184827446.db2.gz YCRDHDIWWXNCFD-JTQLQIEISA-N 1 0 289.372 2.049 10 0 CEAERO CS(=O)(=O)[C@H]1CCC[C@H](C2([NH3+])CCCCC2)C1 ZINC000094640095 184831890 /nfs/dbraw/zinc/83/18/90/184831890.db2.gz BEJRLFVMEJBZOR-RYUDHWBXSA-N 1 0 259.415 2.251 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)c1cccc(F)c1 ZINC000094648060 184834016 /nfs/dbraw/zinc/83/40/16/184834016.db2.gz YASMHGILEXIAER-ZWNOBZJWSA-N 1 0 250.317 2.177 10 0 CEAERO CCC[NH2+]Cc1ccc(O[C@H](C)[C@@H](C)O)c(OC)c1 ZINC000094652768 184834765 /nfs/dbraw/zinc/83/47/65/184834765.db2.gz NJCZNDYBMNOGTE-VXGBXAGGSA-N 1 0 267.369 2.343 10 0 CEAERO COc1cc(OC)cc([C@@]2([NH3+])CCCOCC2)c1 ZINC000094650482 184835147 /nfs/dbraw/zinc/83/51/47/184835147.db2.gz VCPXUTIQVOWOPU-CQSZACIVSA-N 1 0 251.326 2.058 10 0 CEAERO CC1(C)CCC[C@@](C[NH3+])(Cc2cccc(O)c2)[C@H]1O ZINC000094691258 184840403 /nfs/dbraw/zinc/84/04/03/184840403.db2.gz LQVWGGKTBTZLEQ-HOCLYGCPSA-N 1 0 263.381 2.451 10 0 CEAERO CCOc1ccc2nc([C@@H](C[NH3+])CC(C)C)[nH]c2n1 ZINC000094703753 184844089 /nfs/dbraw/zinc/84/40/89/184844089.db2.gz ZVGPTOCYZIGZRL-SNVBAGLBSA-N 1 0 262.357 2.445 10 0 CEAERO CC[C@H]([NH3+])Cc1noc(Cc2cccc(F)c2F)n1 ZINC000094714198 184845970 /nfs/dbraw/zinc/84/59/70/184845970.db2.gz BOADARLOBLNLJZ-VIFPVBQESA-N 1 0 267.279 2.218 10 0 CEAERO CC[NH2+][C@@H](Cc1ncnn1CC)c1ccc(Cl)cn1 ZINC000094844512 184879179 /nfs/dbraw/zinc/87/91/79/184879179.db2.gz FOCDZOQZBMBQDX-LBPRGKRZSA-N 1 0 279.775 2.240 10 0 CEAERO CC(=O)c1ccnc(N(CC[NH+](C)C)CC(C)C)c1 ZINC000094997254 184911855 /nfs/dbraw/zinc/91/18/55/184911855.db2.gz QVINSCKIVRRVCB-UHFFFAOYSA-N 1 0 263.385 2.308 10 0 CEAERO Cc1cccc(CN(C)c2cc([C@H](C)[NH3+])ccn2)n1 ZINC000095000443 184912024 /nfs/dbraw/zinc/91/20/24/184912024.db2.gz YDUYYTXILCCJNQ-LBPRGKRZSA-N 1 0 256.353 2.441 10 0 CEAERO CC[NH2+][C@@H](C)c1ccnc(SCCC(=O)OC)c1 ZINC000095002478 184913496 /nfs/dbraw/zinc/91/34/96/184913496.db2.gz CNKHVLTYBLQIOG-JTQLQIEISA-N 1 0 268.382 2.407 10 0 CEAERO CC[C@H]1CN(Cc2cccnc2OC)[C@@H](CC)C[NH2+]1 ZINC000095009445 184914075 /nfs/dbraw/zinc/91/40/75/184914075.db2.gz KTJQVGWGBLXIBK-KBPBESRZSA-N 1 0 263.385 2.053 10 0 CEAERO CC[C@H]1C[NH2+]C(C)(C)CN1Cc1cccnc1OC ZINC000095011385 184915291 /nfs/dbraw/zinc/91/52/91/184915291.db2.gz XFDMMOXDCCGVEJ-ZDUSSCGKSA-N 1 0 263.385 2.053 10 0 CEAERO CCCNc1cc(C[N@@H+]2C[C@@H](C)[C@H](C(=O)OC)C2)ccn1 ZINC000095022146 184917452 /nfs/dbraw/zinc/91/74/52/184917452.db2.gz XVVOSVSPGXXZGG-TZMCWYRMSA-N 1 0 291.395 2.144 10 0 CEAERO CCCN(CC(C)(C)C[NH3+])C(=O)CCCOCC ZINC000095037162 184920419 /nfs/dbraw/zinc/92/04/19/184920419.db2.gz NVORMCISFUGKBV-UHFFFAOYSA-N 1 0 258.406 2.027 10 0 CEAERO CCOCCCC(=O)N(CC)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000095037069 184920510 /nfs/dbraw/zinc/92/05/10/184920510.db2.gz FTOLYXYVGSILQD-KGLIPLIRSA-N 1 0 270.417 2.169 10 0 CEAERO C[NH2+]CCc1nnc(Cc2c(F)cccc2F)s1 ZINC000095062253 184928737 /nfs/dbraw/zinc/92/87/37/184928737.db2.gz CMKXYOYQWWMGBN-UHFFFAOYSA-N 1 0 269.320 2.169 10 0 CEAERO CCOc1nc2ccccc2nc1NC[C@H]1CC[NH2+]C1 ZINC000095069721 184930845 /nfs/dbraw/zinc/93/08/45/184930845.db2.gz NONMYYCKDCVWPR-NSHDSACASA-N 1 0 272.352 2.050 10 0 CEAERO CN(c1nc2ccccc2nc1NC1CC1)[C@H]1CCC[NH2+]C1 ZINC000095070568 184932103 /nfs/dbraw/zinc/93/21/03/184932103.db2.gz QZCLVXRCZNOADX-ZDUSSCGKSA-N 1 0 297.406 2.392 10 0 CEAERO Clc1ncc(COC[C@H]2CCCC[NH2+]2)c(Cl)n1 ZINC000095070210 184932272 /nfs/dbraw/zinc/93/22/72/184932272.db2.gz WXJWOKYGFBGNGC-SECBINFHSA-N 1 0 276.167 2.442 10 0 CEAERO CN(Cc1ccc(Br)nc1)C[C@H]1CCC[NH2+]1 ZINC000095071007 184933133 /nfs/dbraw/zinc/93/31/33/184933133.db2.gz WPXNEQUBBCVZBH-LLVKDONJSA-N 1 0 284.201 2.028 10 0 CEAERO COc1nc2ccccc2nc1OC[C@@H]1CCC[NH2+]C1 ZINC000095071717 184933614 /nfs/dbraw/zinc/93/36/14/184933614.db2.gz LBRQATIFNBDRTI-LLVKDONJSA-N 1 0 273.336 2.017 10 0 CEAERO c1ccc2nc(OC[C@@H]3CC[NH2+]C3)c(NC3CC3)nc2c1 ZINC000095092671 184941596 /nfs/dbraw/zinc/94/15/96/184941596.db2.gz BBOVWSNXRWHVPP-LLVKDONJSA-N 1 0 284.363 2.192 10 0 CEAERO Cc1ccsc1CNC(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000094876373 184885192 /nfs/dbraw/zinc/88/51/92/184885192.db2.gz GYQVRCFAUCKGIE-NWDGAFQWSA-N 1 0 266.410 2.438 10 0 CEAERO C[C@@](O)(C1(C)CC1)[C@@]1(C[NH3+])CCOc2ccccc21 ZINC000094955069 184902842 /nfs/dbraw/zinc/90/28/42/184902842.db2.gz HKSVSLBTGSRNQR-HZPDHXFCSA-N 1 0 261.365 2.217 10 0 CEAERO O[C@]12CCCC[C@H]1C[N@H+](C[C@@H]1CCC=CO1)CC2 ZINC000193988763 285378999 /nfs/dbraw/zinc/37/89/99/285378999.db2.gz KUGJRTDEBIYEDI-KKUMJFAQSA-N 1 0 251.370 2.306 10 0 CEAERO CO[C@@H](C)C[NH2+]Cc1cnc2c(cnn2C(C)C)c1 ZINC000191142976 130189585 /nfs/dbraw/zinc/18/95/85/130189585.db2.gz QFEGBEHASFXBFA-NSHDSACASA-N 1 0 262.357 2.137 10 0 CEAERO CC(C)c1nc(Cl)cc(N2CCC(C[NH3+])CC2)n1 ZINC000073737513 134445926 /nfs/dbraw/zinc/44/59/26/134445926.db2.gz MXLGYIOIOAOMNW-UHFFFAOYSA-N 1 0 268.792 2.429 10 0 CEAERO C[C@@H]1Cc2ccccc2N(C(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000079521569 134492461 /nfs/dbraw/zinc/49/24/61/134492461.db2.gz LCOBNBZQKUUGKV-WBMJQRKESA-N 1 0 258.365 2.354 10 0 CEAERO NC(=[NH2+])C1CCN(c2ccc3ccccc3n2)CC1 ZINC000079843147 134493109 /nfs/dbraw/zinc/49/31/09/134493109.db2.gz GRCDMRHXEFMSCT-UHFFFAOYSA-N 1 0 254.337 2.387 10 0 CEAERO C[NH+](C)C1CCN(c2ccc(Cl)cc2N)CC1 ZINC000036191146 134809622 /nfs/dbraw/zinc/80/96/22/134809622.db2.gz BFPATSUOHDBKBG-UHFFFAOYSA-N 1 0 253.777 2.453 10 0 CEAERO Cc1ccc([C@@H]([C@H](C)[NH3+])N2CC(=O)Nc3ccccc32)o1 ZINC000043363970 134899754 /nfs/dbraw/zinc/89/97/54/134899754.db2.gz WQYIPEIIFHJTDE-MEDUHNTESA-N 1 0 285.347 2.435 10 0 CEAERO Cc1ccc(C(N)=[NH2+])c(N2C[C@@H](C)S[C@H](C)C2)n1 ZINC000070383601 134946421 /nfs/dbraw/zinc/94/64/21/134946421.db2.gz OMMVRLROECXXMX-NXEZZACHSA-N 1 0 264.398 2.004 10 0 CEAERO C[NH2+][C@](C)(CO)C[C@@H](C)N1CCCc2cc(C)ccc21 ZINC000070512607 134951771 /nfs/dbraw/zinc/95/17/71/134951771.db2.gz FYONAYPZBPIYPV-PBHICJAKSA-N 1 0 276.424 2.497 10 0 CEAERO CN1CCN(C(=O)CC2([NH3+])CCCC2)c2ccccc21 ZINC000084187274 135031731 /nfs/dbraw/zinc/03/17/31/135031731.db2.gz WEYDEEWJTAKZSV-UHFFFAOYSA-N 1 0 273.380 2.131 10 0 CEAERO Cc1ccc2c(c1)CCCN2[C@H](C)C[C@](C)(O)C[NH3+] ZINC000085303966 135035439 /nfs/dbraw/zinc/03/54/39/135035439.db2.gz MEBUIGKUMUQILF-CJNGLKHVSA-N 1 0 262.397 2.236 10 0 CEAERO Cc1cccc2c1N(C(=O)[C@@H]1CCC[C@@H]1[NH3+])CCC2 ZINC000085371950 135036704 /nfs/dbraw/zinc/03/67/04/135036704.db2.gz POPQDUHMNISBIN-KGLIPLIRSA-N 1 0 258.365 2.402 10 0 CEAERO COCc1cccc(N2CC[NH2+][C@@](C)(C3CC3)C2)c1 ZINC000086143429 135039464 /nfs/dbraw/zinc/03/94/64/135039464.db2.gz RSIBJMMULWMRSE-MRXNPFEDSA-N 1 0 260.381 2.411 10 0 CEAERO COc1cc(F)ccc1N1CC(C)(C)[NH2+]C[C@H]1C ZINC000086257102 135039694 /nfs/dbraw/zinc/03/96/94/135039694.db2.gz ZVXBUPKWNWUXTJ-SNVBAGLBSA-N 1 0 252.333 2.411 10 0 CEAERO [NH3+][C@@H]1Cc2ccccc2N(CCC[C@@H]2CCCO2)C1 ZINC000087266450 135049560 /nfs/dbraw/zinc/04/95/60/135049560.db2.gz NSSTVRPAYFBGKR-HUUCEWRRSA-N 1 0 260.381 2.336 10 0 CEAERO C[C@@H]1C[NH2+]CCN1c1c2nsnc2ccc1Cl ZINC000088128564 135052471 /nfs/dbraw/zinc/05/24/71/135052471.db2.gz DJRHJHHGSLMLIB-SSDOTTSWSA-N 1 0 268.773 2.143 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C(=O)N2CCCc3ccccc32)C1 ZINC000088449518 135054809 /nfs/dbraw/zinc/05/48/09/135054809.db2.gz NRSGLZKABBFCKE-JSGCOSHPSA-N 1 0 258.365 2.211 10 0 CEAERO CCC[NH2+]CCS(=O)(=O)N1C[C@@H](C)Cc2ccccc21 ZINC000089036068 135057670 /nfs/dbraw/zinc/05/76/70/135057670.db2.gz WJXFQNHADHECNG-ZDUSSCGKSA-N 1 0 296.436 2.015 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@H]1C(=O)N1CCOc2ccccc21 ZINC000089395509 135059325 /nfs/dbraw/zinc/05/93/25/135059325.db2.gz HXMCELXWTRQIKU-CHWSQXEVSA-N 1 0 274.364 2.177 10 0 CEAERO C[C@H]1Cc2ccccc2N([C@@H](C[NH3+])c2cncn2C)C1 ZINC000090167974 135062101 /nfs/dbraw/zinc/06/21/01/135062101.db2.gz NULNSZLIYDGQSU-WFASDCNBSA-N 1 0 270.380 2.119 10 0 CEAERO Cc1cccc(N2CCN([C@@H]3C[NH2+]CC[C@@H]3C)CC2)c1C ZINC000090695461 135064090 /nfs/dbraw/zinc/06/40/90/135064090.db2.gz OUIJXKCYSUKWTA-MAUKXSAKSA-N 1 0 287.451 2.423 10 0 CEAERO Cc1cccc(N2CCN([C@@H]3C[NH2+]CC[C@H]3C)CC2)c1 ZINC000090695437 135064155 /nfs/dbraw/zinc/06/41/55/135064155.db2.gz FATJMEXDKRIEKW-NVXWUHKLSA-N 1 0 273.424 2.115 10 0 CEAERO CCCOc1cc(N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)ncn1 ZINC000090785183 135064920 /nfs/dbraw/zinc/06/49/20/135064920.db2.gz WVBTUYKWAOCHOV-UONOGXRCSA-N 1 0 290.411 2.376 10 0 CEAERO CCC[NH2+]C[C@H]1CCCN(c2ncnc(OC)c2C)C1 ZINC000090789063 135065574 /nfs/dbraw/zinc/06/55/74/135065574.db2.gz KNOJJRKOZVOOBH-CYBMUJFWSA-N 1 0 278.400 2.010 10 0 CEAERO Cc1ccc2c(c1)CCCN2C[C@](C)(O)C[NH2+]C(C)C ZINC000090817690 135065813 /nfs/dbraw/zinc/06/58/13/135065813.db2.gz VMAJTRRBZJECDK-QGZVFWFLSA-N 1 0 276.424 2.497 10 0 CEAERO C[NH2+]Cc1cc2ccccc2c(N2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000090907735 135066569 /nfs/dbraw/zinc/06/65/69/135066569.db2.gz BPZVMVHBWVZSCN-GASCZTMLSA-N 1 0 283.375 2.322 10 0 CEAERO C[NH+](C)[C@H]1CCCN(c2ccc(F)cc2C=O)C1 ZINC000091392895 135068358 /nfs/dbraw/zinc/06/83/58/135068358.db2.gz GQTIFBICIAXTPR-ZDUSSCGKSA-N 1 0 250.317 2.169 10 0 CEAERO C[C@@H]([NH3+])C(C)(C)CN1CCN(c2ccc(F)cc2)CC1 ZINC000091402479 135068753 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266.429 2.362 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)CCSc1ccc(F)cc1 ZINC000423649890 394962534 /nfs/dbraw/zinc/96/25/34/394962534.db2.gz TVEPQPPSQHRBQE-ZWNOBZJWSA-N 1 0 282.384 2.256 10 0 CEAERO COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCO[C@H]1C)CC2 ZINC000149400010 394974087 /nfs/dbraw/zinc/97/40/87/394974087.db2.gz KBJWKUHSMFLHQG-SGIREYDYSA-N 1 0 261.365 2.320 10 0 CEAERO C[C@]1(O)CCCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1cc[nH]n1 ZINC000345108337 395062857 /nfs/dbraw/zinc/06/28/57/395062857.db2.gz SIQYEGGKHPENNU-KFWWJZLASA-N 1 0 263.385 2.315 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CC1=CCCOC1 ZINC000375850771 395101253 /nfs/dbraw/zinc/10/12/53/395101253.db2.gz SOVGTBCGNKGXBQ-HZPDHXFCSA-N 1 0 264.413 2.282 10 0 CEAERO Cc1cc([C@H](C)NC(=O)[C@@H](C)C2C[NH2+]C2)c(C)s1 ZINC000163914040 395085390 /nfs/dbraw/zinc/08/53/90/395085390.db2.gz QBFGWDJCZNMTMR-UWVGGRQHSA-N 1 0 266.410 2.398 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2nc3c(s2)CCCC3)C1 ZINC000170874778 395093071 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YDOWMMWGAYLTMO-HZPDHXFCSA-N 1 0 278.396 2.396 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)Oc2cccc(C)c2)C1 ZINC000194625791 395444169 /nfs/dbraw/zinc/44/41/69/395444169.db2.gz RONRWJLFGOFHDV-CABCVRRESA-N 1 0 290.407 2.363 10 0 CEAERO Cc1ccc(CN(C)C(=O)[C@@H]2CCC[C@H]2C[NH3+])s1 ZINC000648062670 395823521 /nfs/dbraw/zinc/82/35/21/395823521.db2.gz BUFLMLOZKMUTIH-WCQYABFASA-N 1 0 266.410 2.390 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)N1CCc2ccsc2C1 ZINC000648153745 395847150 /nfs/dbraw/zinc/84/71/50/395847150.db2.gz GVQJPDLJNIHHCU-NEPJUHHUSA-N 1 0 264.394 2.008 10 0 CEAERO CC(C)OC1CCC(NC(=O)C2CCC([NH3+])CC2)CC1 ZINC000649375481 396132988 /nfs/dbraw/zinc/13/29/88/396132988.db2.gz BDISRPMEJCKABJ-UHFFFAOYSA-N 1 0 282.428 2.356 10 0 CEAERO CC(C)C[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)NC(C)C)cc1 ZINC000037768250 400119445 /nfs/dbraw/zinc/11/94/45/400119445.db2.gz IKXYHYXFRPPBGT-CQSZACIVSA-N 1 0 291.395 2.137 10 0 CEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H](C)C(C)(C)C ZINC000112438880 400274962 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CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C2CC2)C12CCOCC2 ZINC000186212548 286287689 /nfs/dbraw/zinc/28/76/89/286287689.db2.gz SQABDKABCYTPGW-IACUBPJLSA-N 1 0 253.386 2.349 10 0 CEAERO Cc1ccc([C@H]2OCCC[C@H]2C(=O)NCCCC[NH3+])cc1 ZINC000262220977 292279151 /nfs/dbraw/zinc/27/91/51/292279151.db2.gz LHSGFRBJSVBPKH-HZPDHXFCSA-N 1 0 290.407 2.318 10 0 CEAERO CC(C)OC1CC([NH2+][C@H]2CCc3nc(C(C)C)nn3C2)C1 ZINC000189532017 153097603 /nfs/dbraw/zinc/09/76/03/153097603.db2.gz BLSVHOYPJOGKOU-HSBZDZAISA-N 1 0 292.427 2.262 10 0 CEAERO C[C@H]1OCCC[C@@H]1C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000189903740 153110191 /nfs/dbraw/zinc/11/01/91/153110191.db2.gz FBJMIQLGBVLDHB-ZBFHGGJFSA-N 1 0 296.455 2.382 10 0 CEAERO CCN(C)c1ccc(C[NH2+][C@H]2CN(C(C)C)C[C@@H]2C)cn1 ZINC000191313421 153170025 /nfs/dbraw/zinc/17/00/25/153170025.db2.gz NVEYLMBKAAYVSG-HOCLYGCPSA-N 1 0 290.455 2.356 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)NCc2ccc(C3CC3)cc2)C1 ZINC000191608702 153183126 /nfs/dbraw/zinc/18/31/26/153183126.db2.gz 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171140147 /nfs/dbraw/zinc/14/01/47/171140147.db2.gz CXIUNCDBUDKEDW-ZDUSSCGKSA-N 1 0 278.371 2.359 10 0 CEAERO CN(C)[C@H](C[NH3+])COc1ccc(C(C)(C)C)cc1 ZINC000020400058 171181367 /nfs/dbraw/zinc/18/13/67/171181367.db2.gz JUXDCAJHFZSHAC-CYBMUJFWSA-N 1 0 250.386 2.252 10 0 CEAERO [NH3+]CCc1csc(CCOc2ccccc2F)n1 ZINC000020399208 171181584 /nfs/dbraw/zinc/18/15/84/171181584.db2.gz CGBSBGHOMZMTTA-UHFFFAOYSA-N 1 0 266.341 2.405 10 0 CEAERO CC[C@@H](C)NC(=O)[C@H](C)Oc1ccc([C@@H](C)[NH3+])cc1 ZINC000020419285 171183558 /nfs/dbraw/zinc/18/35/58/171183558.db2.gz KBLXAMJPLRRPBV-UTUOFQBUSA-N 1 0 264.369 2.388 10 0 CEAERO CC(=O)Nc1cccc(N[C@@H]2C[NH+]3CCC2CC3)c1 ZINC000020440855 171204478 /nfs/dbraw/zinc/20/44/78/171204478.db2.gz XVMGBQAOXATUAZ-OAHLLOKOSA-N 1 0 259.353 2.151 10 0 CEAERO CC[NH+](CC)[C@@H](C)C(=O)Nc1ccc(F)cc1N ZINC000022155660 171362785 /nfs/dbraw/zinc/36/27/85/171362785.db2.gz PJXKZCBIAQSILC-VIFPVBQESA-N 1 0 253.321 2.077 10 0 CEAERO COc1ccc(OCC(=O)Nc2ccccc2C[NH3+])cc1 ZINC000022164936 171365173 /nfs/dbraw/zinc/36/51/73/171365173.db2.gz MMWWJAXBNFFQQK-UHFFFAOYSA-N 1 0 286.331 2.171 10 0 CEAERO COc1ccc(N)cc1NC(=O)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000022167328 171366360 /nfs/dbraw/zinc/36/63/60/171366360.db2.gz XQZXFOFSNFNQMP-TXEJJXNPSA-N 1 0 291.395 2.479 10 0 CEAERO C[C@H](C(=O)Nc1ccc(F)cc1N)[NH+]1CCCCC1 ZINC000022172547 171368472 /nfs/dbraw/zinc/36/84/72/171368472.db2.gz DOMVNEJDNBPXLR-SNVBAGLBSA-N 1 0 265.332 2.221 10 0 CEAERO Cc1c(N)cccc1NC(=O)CC[NH+]1CCCCC1 ZINC000022172257 171368947 /nfs/dbraw/zinc/36/89/47/171368947.db2.gz RGZLQQUJXDVUFA-UHFFFAOYSA-N 1 0 261.369 2.392 10 0 CEAERO C[C@@H]1CN([C@@H](C[NH3+])c2ccc(C(F)(F)F)cc2)CCO1 ZINC000022174317 171369238 /nfs/dbraw/zinc/36/92/38/171369238.db2.gz QFKPWFZQQNXHCT-MFKMUULPSA-N 1 0 288.313 2.426 10 0 CEAERO CN(C1CCCCC1)S(=O)(=O)c1ccccc1C[NH3+] ZINC000022216640 171375717 /nfs/dbraw/zinc/37/57/17/171375717.db2.gz SGDPSZVLAKHEMU-UHFFFAOYSA-N 1 0 282.409 2.099 10 0 CEAERO Cc1cc(F)ccc1NS(=O)(=O)c1cccc(C[NH3+])c1 ZINC000022216463 171375831 /nfs/dbraw/zinc/37/58/31/171375831.db2.gz SCNUKKBJWXAAAX-UHFFFAOYSA-N 1 0 294.351 2.394 10 0 CEAERO CC(C)[N@H+](C)CCC(=O)Nc1cc(N)ccc1F ZINC000022220189 171377456 /nfs/dbraw/zinc/37/74/56/171377456.db2.gz GZQPLKZKRLERSM-UHFFFAOYSA-N 1 0 253.321 2.077 10 0 CEAERO C[C@@H]1CN([C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2[NH3+])CCO1 ZINC000022564215 171391720 /nfs/dbraw/zinc/39/17/20/171391720.db2.gz WOSVJVMUSCSYKX-ZOBORPQBSA-N 1 0 254.418 2.249 10 0 CEAERO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](N)c2ccc3c(c2)OCCO3)C1 ZINC000022564384 171391841 /nfs/dbraw/zinc/39/18/41/171391841.db2.gz INIYYPPDYIZEKI-VNHYZAJKSA-N 1 0 290.407 2.436 10 0 CEAERO C[NH2+]CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000031847924 171649581 /nfs/dbraw/zinc/64/95/81/171649581.db2.gz OFCUPZBBDIRFAW-UHFFFAOYSA-N 1 0 268.316 2.045 10 0 CEAERO CCC[NH2+]C[C@@H](O)COc1ccc2c(c1)CCCC2 ZINC000032113143 171706668 /nfs/dbraw/zinc/70/66/68/171706668.db2.gz NMRBNECZMZJIJC-OAHLLOKOSA-N 1 0 263.381 2.305 10 0 CEAERO Cc1sc2[nH]c(C[NH2+][C@@H](C)C3CC3)nc(=O)c2c1C ZINC000035142371 172009439 /nfs/dbraw/zinc/00/94/39/172009439.db2.gz DBSYFVGBCZKXGU-QMMMGPOBSA-N 1 0 277.393 2.490 10 0 CEAERO CC(C)CNC(=O)[C@@H](C)[NH2+][C@@H]1CCc2ccccc21 ZINC000035180613 172034536 /nfs/dbraw/zinc/03/45/36/172034536.db2.gz BBXIMHIPCQZANR-IUODEOHRSA-N 1 0 260.381 2.424 10 0 CEAERO COC(=O)c1c2c(sc1NC(=O)CC(C)C)C[NH2+]CC2 ZINC000035216852 172058095 /nfs/dbraw/zinc/05/80/95/172058095.db2.gz CHTHRNKOAPKONZ-UHFFFAOYSA-N 1 0 296.392 2.165 10 0 CEAERO CCC1(CC)CC(=O)N(c2ccccc2C[NH3+])C1=O ZINC000035281163 172099574 /nfs/dbraw/zinc/09/95/74/172099574.db2.gz DQYRASATUYDIBD-UHFFFAOYSA-N 1 0 260.337 2.215 10 0 CEAERO C[C@@H]([NH3+])c1ccc2ccccc2c1OC[C@@H](C)C(N)=O ZINC000035427189 172194770 /nfs/dbraw/zinc/19/47/70/172194770.db2.gz MRRUWZHHLOAMCN-GHMZBOCLSA-N 1 0 272.348 2.360 10 0 CEAERO CC(C)[NH2+]Cc1c(N2CCSCC2)nc2sccn12 ZINC000035430001 172198443 /nfs/dbraw/zinc/19/84/43/172198443.db2.gz YXFPJQMZTSCESS-UHFFFAOYSA-N 1 0 296.465 2.447 10 0 CEAERO C[NH2+][C@H](c1cnn(C)c1)c1cc(Cl)ccc1OC ZINC000035500157 172234082 /nfs/dbraw/zinc/23/40/82/172234082.db2.gz LZFLBEMXOJHDBM-CYBMUJFWSA-N 1 0 265.744 2.391 10 0 CEAERO CCNC(=O)COc1ccc(C)cc1[C@H](C)[NH2+]CC ZINC000035629784 172310829 /nfs/dbraw/zinc/31/08/29/172310829.db2.gz RIJLIVKLIOQGOC-LBPRGKRZSA-N 1 0 264.369 2.180 10 0 CEAERO C[C@H](O)c1cc(F)ccc1N1CCC[N@H+](C)CC1 ZINC000035631488 172313511 /nfs/dbraw/zinc/31/35/11/172313511.db2.gz KEAHYIFFVMQNIW-NSHDSACASA-N 1 0 252.333 2.021 10 0 CEAERO CCC[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000035632869 172315519 /nfs/dbraw/zinc/31/55/19/172315519.db2.gz GIDQUTUURDRQHP-NSHDSACASA-N 1 0 282.409 2.188 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N[C@@H](C)C(C)C)cc1 ZINC000035633677 172316846 /nfs/dbraw/zinc/31/68/46/172316846.db2.gz RZZKEBWJQVSPSN-RYUDHWBXSA-N 1 0 284.425 2.290 10 0 CEAERO C[C@@H]([NH3+])Cc1nc(-c2ccc(Br)cc2)no1 ZINC000035659360 172336424 /nfs/dbraw/zinc/33/64/24/172336424.db2.gz KEMLDALZWQYOPY-SSDOTTSWSA-N 1 0 282.141 2.389 10 0 CEAERO C[C@H](NC(=O)C[C@@H]([NH3+])c1ccccc1)c1ccccn1 ZINC000035694942 172363958 /nfs/dbraw/zinc/36/39/58/172363958.db2.gz SBYAHDFEPDESFF-GXTWGEPZSA-N 1 0 269.348 2.349 10 0 CEAERO [NH3+]C[C@@H]1CCCCC[C@H]1Sc1nnnn1C1CC1 ZINC000035724227 172379104 /nfs/dbraw/zinc/37/91/04/172379104.db2.gz ZOJDICDVZQBPID-GXSJLCMTSA-N 1 0 267.402 2.008 10 0 CEAERO CCC[NH2+][C@H]1CCCS(=O)(=O)c2ccc(F)cc21 ZINC000035761343 172399694 /nfs/dbraw/zinc/39/96/94/172399694.db2.gz VESRIGQSVZHOQE-LBPRGKRZSA-N 1 0 271.357 2.434 10 0 CEAERO C[C@@H]1C[C@H]([NH2+]C2CCS(=O)(=O)CC2)CC(C)(C)C1 ZINC000036331475 172615650 /nfs/dbraw/zinc/61/56/50/172615650.db2.gz YYBXHFXVOIMQOI-YPMHNXCESA-N 1 0 273.442 2.368 10 0 CEAERO C[NH2+]C1CCC(NC(=O)Cc2ccccc2C)CC1 ZINC000036880448 172776147 /nfs/dbraw/zinc/77/61/47/172776147.db2.gz BYAIHEQMFOUBMU-UHFFFAOYSA-N 1 0 260.381 2.184 10 0 CEAERO Cc1c([C@H](C)[NH2+]C2CCC3(CC2)OCCO3)cnn1C ZINC000037167718 173002275 /nfs/dbraw/zinc/00/22/75/173002275.db2.gz KWWUYXHQIBEPBQ-NSHDSACASA-N 1 0 279.384 2.065 10 0 CEAERO C[C@H]([NH2+]CC(=O)N(C)C)c1cccc(Br)c1 ZINC000037225434 173045865 /nfs/dbraw/zinc/04/58/65/173045865.db2.gz JVCJSLGSROCTGT-VIFPVBQESA-N 1 0 285.185 2.188 10 0 CEAERO Cc1nc2sccn2c1CNC[C@H](C(C)C)[NH+](C)C ZINC000037233057 173052183 /nfs/dbraw/zinc/05/21/83/173052183.db2.gz LDYWUTLURLKQBG-GFCCVEGCSA-N 1 0 280.441 2.380 10 0 CEAERO CC(C)(C)n1cc(C[NH2+][C@@H]2CCC[C@H](O)C2)cn1 ZINC000037321420 173122140 /nfs/dbraw/zinc/12/21/40/173122140.db2.gz RBEANCZWTVALDY-OLZOCXBDSA-N 1 0 251.374 2.031 10 0 CEAERO [NH3+][C@@H](Cc1ccccc1)c1nnc2n1CCCCC2 ZINC000037323800 173124200 /nfs/dbraw/zinc/12/42/00/173124200.db2.gz OGXSRGKNGYCWOQ-ZDUSSCGKSA-N 1 0 256.353 2.247 10 0 CEAERO C=COCCC[NH2+]Cc1cc(OC)c2c(c1)OCCO2 ZINC000037388440 173171828 /nfs/dbraw/zinc/17/18/28/173171828.db2.gz CFTFPZUDBATUIW-UHFFFAOYSA-N 1 0 279.336 2.106 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000037389410 173172750 /nfs/dbraw/zinc/17/27/50/173172750.db2.gz ABFJHFGHTHXQPF-VXGBXAGGSA-N 1 0 292.379 2.023 10 0 CEAERO COC(C[NH2+]Cc1ccccc1OC(F)(F)F)OC ZINC000037395221 173175136 /nfs/dbraw/zinc/17/51/36/173175136.db2.gz UJIQEFLAUNRNCH-UHFFFAOYSA-N 1 0 279.258 2.294 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000037395348 173176018 /nfs/dbraw/zinc/17/60/18/173176018.db2.gz STBSWTXPXGAWHR-QMMMGPOBSA-N 1 0 284.743 2.395 10 0 CEAERO CCCn1c2c(cccc2Cl)nc1[C@@H]([NH3+])[C@@H](C)O ZINC000037444140 173212168 /nfs/dbraw/zinc/21/21/68/173212168.db2.gz QYPFSFJGEBNZAS-KCJUWKMLSA-N 1 0 267.760 2.480 10 0 CEAERO CSCC[C@@H](C[NH3+])N1CCc2sccc2C1 ZINC000037472124 173227402 /nfs/dbraw/zinc/22/74/02/173227402.db2.gz HWAZXBUMRMBSAZ-NSHDSACASA-N 1 0 256.440 2.187 10 0 CEAERO C[C@@H](NC(=O)C[C@H](C)[NH3+])c1ccccc1Br ZINC000037476521 173227888 /nfs/dbraw/zinc/22/78/88/173227888.db2.gz LMPBMJLXVBGJCG-DTWKUNHWSA-N 1 0 285.185 2.364 10 0 CEAERO C[C@@H]([NH3+])CC(=O)N[C@H](C)c1cccc(Br)c1 ZINC000037476505 173227977 /nfs/dbraw/zinc/22/79/77/173227977.db2.gz WGJRROFXXPGZEJ-RKDXNWHRSA-N 1 0 285.185 2.364 10 0 CEAERO C[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000037483317 173228609 /nfs/dbraw/zinc/22/86/09/173228609.db2.gz WLOAWDVOIFJSGB-SNVBAGLBSA-N 1 0 255.159 2.247 10 0 CEAERO O=C([C@H]1CCC[NH2+]1)N1CC=C(c2ccccc2)CC1 ZINC000037497733 173236449 /nfs/dbraw/zinc/23/64/49/173236449.db2.gz ZBKLHRCNZBXZRV-OAHLLOKOSA-N 1 0 256.349 2.054 10 0 CEAERO Cc1nc([C@@H](C)[NH2+][C@H]2CN3CCC2CC3)cs1 ZINC000037507686 173241980 /nfs/dbraw/zinc/24/19/80/173241980.db2.gz IKHHLQXXPFMAEZ-SKDRFNHKSA-N 1 0 251.399 2.196 10 0 CEAERO CCC[NH2+][C@](C)(C(N)=O)c1ccc(OCCC)cc1 ZINC000037513831 173244893 /nfs/dbraw/zinc/24/48/93/173244893.db2.gz AZSGQQADNZQHRW-HNNXBMFYSA-N 1 0 264.369 2.176 10 0 CEAERO CCN(C(=O)Cc1ccccc1C)[C@H]1CCC[NH2+]C1 ZINC000037541045 173262750 /nfs/dbraw/zinc/26/27/50/173262750.db2.gz OQTLHAIXOQOFOH-HNNXBMFYSA-N 1 0 260.381 2.138 10 0 CEAERO CSCCC[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000037648450 173598368 /nfs/dbraw/zinc/59/83/68/173598368.db2.gz UPJCRKBWCIXSQL-SNVBAGLBSA-N 1 0 270.364 2.213 10 0 CEAERO COC(=O)CCCOc1ccc(C)cc1[C@H](C)[NH3+] ZINC000037710676 173630650 /nfs/dbraw/zinc/63/06/50/173630650.db2.gz HATCSZUBNRCJNI-NSHDSACASA-N 1 0 251.326 2.347 10 0 CEAERO CN(Cc1ccc(C[NH3+])cc1)C(=O)CC(F)(F)F ZINC000037757810 173681455 /nfs/dbraw/zinc/68/14/55/173681455.db2.gz UZRGGDLXSXDNSP-UHFFFAOYSA-N 1 0 260.259 2.056 10 0 CEAERO COC(=O)c1ccc(Cl)cc1NC1CC[NH2+]CC1 ZINC000038040958 174040952 /nfs/dbraw/zinc/04/09/52/174040952.db2.gz KFDJPYCERUUSJF-UHFFFAOYSA-N 1 0 268.744 2.291 10 0 CEAERO Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCOC2)c1 ZINC000038045317 174053232 /nfs/dbraw/zinc/05/32/32/174053232.db2.gz NHCNECIZBBXTPB-HOTGVXAUSA-N 1 0 293.407 2.059 10 0 CEAERO O[C@H](C[NH2+]C[C@H]1CCCOC1)COc1ccc(Cl)cc1 ZINC000038045358 174053833 /nfs/dbraw/zinc/05/38/33/174053833.db2.gz VVGJQHRIQKTBLE-TZMCWYRMSA-N 1 0 299.798 2.096 10 0 CEAERO CC(C)[C@@H]([NH2+]CCCS(C)(=O)=O)c1cccs1 ZINC000038047641 174058136 /nfs/dbraw/zinc/05/81/36/174058136.db2.gz MMEPIUFAZHPOTF-GFCCVEGCSA-N 1 0 275.439 2.470 10 0 CEAERO Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2[NH3+])cc1F ZINC000038048975 174059801 /nfs/dbraw/zinc/05/98/01/174059801.db2.gz TWCSYWSATWIRFV-OLZOCXBDSA-N 1 0 250.317 2.134 10 0 CEAERO CCOc1ccc(C(=O)N[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000038049327 174060408 /nfs/dbraw/zinc/06/04/08/174060408.db2.gz XMGCESFYGJKNKJ-KBPBESRZSA-N 1 0 262.353 2.085 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)/C=C/c1cccs1 ZINC000038049530 174060548 /nfs/dbraw/zinc/06/05/48/174060548.db2.gz ITLDCKRHZBGADT-ADYIUWEDSA-N 1 0 250.367 2.147 10 0 CEAERO CC[C@H](C)[NH2+][C@@](C)(C(N)=O)c1cc(C)ccc1OC ZINC000038065611 174077001 /nfs/dbraw/zinc/07/70/01/174077001.db2.gz ACORVHKKNNGZGT-XHDPSFHLSA-N 1 0 264.369 2.092 10 0 CEAERO CC[C@H](C)[NH2+][C@](C)(C(N)=O)c1ccc(Cl)cc1 ZINC000038065641 174077054 /nfs/dbraw/zinc/07/70/54/174077054.db2.gz RXMDODWMIRMXEH-ZANVPECISA-N 1 0 254.761 2.429 10 0 CEAERO Brc1ccc2[nH]cc(CN3CC[NH2+]CC3)c2c1 ZINC000038086767 174097410 /nfs/dbraw/zinc/09/74/10/174097410.db2.gz CUOXNZHHOUBOGC-UHFFFAOYSA-N 1 0 294.196 2.336 10 0 CEAERO [NH3+]CC1(F)CCN(C(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000038981498 174160909 /nfs/dbraw/zinc/16/09/09/174160909.db2.gz ZRLXAWPHBCZDBU-UHFFFAOYSA-N 1 0 288.725 2.382 10 0 CEAERO O[C@H](c1ccccc1)[C@@H](c1ccccc1)N1CC[NH2+]CC1 ZINC000039239007 174166654 /nfs/dbraw/zinc/16/66/54/174166654.db2.gz UTRKQWAYSWPSIE-QZTJIDSGSA-N 1 0 282.387 2.367 10 0 CEAERO [NH3+][C@@H]1c2cc(Br)ccc2CCC[C@H]1O ZINC000039941519 174175436 /nfs/dbraw/zinc/17/54/36/174175436.db2.gz BZTCUTHVQHKBPV-GHMZBOCLSA-N 1 0 256.143 2.146 10 0 CEAERO CCCC[C@H]1C[NH2+]CCN1Cc1cccc(C(=O)OC)c1 ZINC000039952576 174177857 /nfs/dbraw/zinc/17/78/57/174177857.db2.gz GZABBNMJYSTIFF-INIZCTEOSA-N 1 0 290.407 2.437 10 0 CEAERO COCCn1c2ccc(Cl)cc2nc1CCC[NH3+] ZINC000040404874 174254186 /nfs/dbraw/zinc/25/41/86/174254186.db2.gz RGOKSYCFAITFNX-UHFFFAOYSA-N 1 0 267.760 2.227 10 0 CEAERO CCC(CC)N(CCOC)C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000040467812 174276414 /nfs/dbraw/zinc/27/64/14/174276414.db2.gz ARXGFGGCDLWAIJ-GFCCVEGCSA-N 1 0 258.406 2.023 10 0 CEAERO COc1ccc(OC[C@H](O)C[NH2+]CC(C)(C)C)cc1 ZINC000040493200 174292825 /nfs/dbraw/zinc/29/28/25/174292825.db2.gz WOWJREPHVQAPBN-GFCCVEGCSA-N 1 0 267.369 2.071 10 0 CEAERO Cc1ccc(OC[C@H](C)NC(=O)C2CCC([NH3+])CC2)cc1 ZINC000040500157 174296525 /nfs/dbraw/zinc/29/65/25/174296525.db2.gz SRXFZUIPAFYGPH-NFOMZHRRSA-N 1 0 290.407 2.396 10 0 CEAERO CCN1CCC[C@H]([NH2+]Cc2cccc(OC)c2OC)C1 ZINC000040502361 174299237 /nfs/dbraw/zinc/29/92/37/174299237.db2.gz KUSDNCMWLOZJHQ-AWEZNQCLSA-N 1 0 278.396 2.278 10 0 CEAERO CCN1CCC[C@H]([NH2+]Cc2cnc3ccccc3n2)C1 ZINC000040502835 174299251 /nfs/dbraw/zinc/29/92/51/174299251.db2.gz IHLYQEPBWLDOBO-ZDUSSCGKSA-N 1 0 270.380 2.204 10 0 CEAERO Cc1cc(C)c(C(N)=S)c(N[C@@H](C)[C@@H]2CCCO2)[nH+]1 ZINC000040510305 174304229 /nfs/dbraw/zinc/30/42/29/174304229.db2.gz JXJJIZNSMFTURI-QWRGUYRKSA-N 1 0 279.409 2.312 10 0 CEAERO CCC[C@@](C)([NH3+])C(=O)N[C@H](C)c1sc(C)nc1C ZINC000040519137 174308833 /nfs/dbraw/zinc/30/88/33/174308833.db2.gz CSCQPQMETBGJGJ-NOZJJQNGSA-N 1 0 269.414 2.455 10 0 CEAERO C[NH2+]C[C@@H]1CCCN(CC(=O)Nc2cc(F)ccc2C)C1 ZINC000040599115 174350077 /nfs/dbraw/zinc/35/00/77/174350077.db2.gz MTTFMNDMQGABBW-ZDUSSCGKSA-N 1 0 293.386 2.004 10 0 CEAERO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Cl)cc2N)C1 ZINC000040620375 174354272 /nfs/dbraw/zinc/35/42/72/174354272.db2.gz RQMAFNFDWSFJKE-NSHDSACASA-N 1 0 295.814 2.382 10 0 CEAERO CC(C)[N@@H+]1CC[C@@H](CN[C@@H]2COc3cc(O)ccc32)C1 ZINC000040621870 174354922 /nfs/dbraw/zinc/35/49/22/174354922.db2.gz SPKPZKKMUKHOBO-SWLSCSKDSA-N 1 0 276.380 2.146 10 0 CEAERO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccccc2OCC(C)C)C1 ZINC000040634340 174360255 /nfs/dbraw/zinc/36/02/55/174360255.db2.gz AATNXALPLWFROP-GXTWGEPZSA-N 1 0 292.379 2.037 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](C(=O)N(CCC(C)C)CCC(C)C)C1 ZINC000040635071 174360782 /nfs/dbraw/zinc/36/07/82/174360782.db2.gz FNDCHVODTWKEGF-HUUCEWRRSA-N 1 0 284.444 2.284 10 0 CEAERO CCN(Cc1ccccc1Cl)C(=O)[C@@H]1C[C@@H](OC)C[NH2+]1 ZINC000040635372 174361000 /nfs/dbraw/zinc/36/10/00/174361000.db2.gz WAINXJGHGDMUGU-OCCSQVGLSA-N 1 0 296.798 2.065 10 0 CEAERO Cn1ccnc1CC[NH2+][C@@H]1CCOc2ccccc21 ZINC000040638879 174363168 /nfs/dbraw/zinc/36/31/68/174363168.db2.gz GMKIMTJTCZTQCE-CYBMUJFWSA-N 1 0 257.337 2.076 10 0 CEAERO CC[C@H](C)[NH2+][C@H](C(N)=O)c1cccc(OC(C)C)c1 ZINC000040666552 174366175 /nfs/dbraw/zinc/36/61/75/174366175.db2.gz VFMDHZNDAXKHSO-FZMZJTMJSA-N 1 0 264.369 2.388 10 0 CEAERO CC(C)Oc1cccc([C@@H](CO)[NH2+]C[C@H]2CCCO2)c1 ZINC000040666841 174366301 /nfs/dbraw/zinc/36/63/01/174366301.db2.gz RFUFEVAXYPMLIN-HZPDHXFCSA-N 1 0 279.380 2.276 10 0 CEAERO CCOC1CC[NH+](C2(CN)CCC(C)CC2)CC1 ZINC000040678827 174374534 /nfs/dbraw/zinc/37/45/34/174374534.db2.gz LZCRFRLYUPZRGD-UHFFFAOYSA-N 1 0 254.418 2.395 10 0 CEAERO CCOC1CCN([C@H](C[NH3+])c2c(F)cccc2F)CC1 ZINC000040689128 174375661 /nfs/dbraw/zinc/37/56/61/174375661.db2.gz DZECWLXAMSIOFN-CQSZACIVSA-N 1 0 284.350 2.466 10 0 CEAERO CCOC1CCN([C@H](C[NH3+])c2ccc(C)o2)CC1 ZINC000040689118 174375939 /nfs/dbraw/zinc/37/59/39/174375939.db2.gz CWCBNAINTIQPOL-CYBMUJFWSA-N 1 0 252.358 2.089 10 0 CEAERO C[N@@H+]1CCC[C@H](Nc2ccc(N)c3ncccc23)C1 ZINC000040715778 174382697 /nfs/dbraw/zinc/38/26/97/174382697.db2.gz DDZRQQUBFILBFC-NSHDSACASA-N 1 0 256.353 2.323 10 0 CEAERO C[N@@H+]1CCC[C@H](Nc2ccc(N)c(OC(C)(C)C)n2)C1 ZINC000040715769 174382781 /nfs/dbraw/zinc/38/27/81/174382781.db2.gz YTSHHABBHQKAPP-NSHDSACASA-N 1 0 278.400 2.347 10 0 CEAERO C[C@@H](C(=O)Nc1ccc(F)c(N)c1)[N@@H+]1CC[C@@H](C)C1 ZINC000040716818 174384110 /nfs/dbraw/zinc/38/41/10/174384110.db2.gz WAYXDKRDDIDQGX-ZJUUUORDSA-N 1 0 265.332 2.077 10 0 CEAERO C[C@@H]1CCN([C@@H](C[NH3+])c2ccc3c(c2)OCCCO3)C1 ZINC000040717126 174384513 /nfs/dbraw/zinc/38/45/13/174384513.db2.gz OMIRXWRNEZQJKC-OCCSQVGLSA-N 1 0 276.380 2.190 10 0 CEAERO Cc1nn(C[C@H]([NH3+])c2ccc3c(c2)OCO3)c(C)c1C ZINC000040729698 174388071 /nfs/dbraw/zinc/38/80/71/174388071.db2.gz SVJCBFIBPYOAKG-ZDUSSCGKSA-N 1 0 273.336 2.237 10 0 CEAERO C[N@H+]1[C@@H]2CC[C@H]1CC(Nc1ccc(CCO)cc1)C2 ZINC000040737684 174389594 /nfs/dbraw/zinc/38/95/94/174389594.db2.gz XPPHIYWKWFJICW-MQVJKMGUSA-N 1 0 260.381 2.259 10 0 CEAERO CCc1cccc(NC(=O)CN2[C@@H]3CC[C@H]2CC([NH3+])C3)c1 ZINC000040750064 174395199 /nfs/dbraw/zinc/39/51/99/174395199.db2.gz KLFJHFGTEYVYNP-VHRNVKJDSA-N 1 0 287.407 2.142 10 0 CEAERO C[C@@H](NC(=O)C1([NH3+])CCCC1)c1ccc(F)cc1 ZINC000040804576 174409607 /nfs/dbraw/zinc/40/96/07/174409607.db2.gz PIPFMXGYGINOBS-SNVBAGLBSA-N 1 0 250.317 2.274 10 0 CEAERO COc1ccc(C[NH2+][C@@H]2CCC[C@H](O)C2)c(F)c1 ZINC000404594070 414788620 /nfs/dbraw/zinc/78/86/20/414788620.db2.gz OIGUFTIGAMXPHF-NEPJUHHUSA-N 1 0 253.317 2.227 10 0 CEAERO CC(C)([NH3+])c1cn(CCSc2ccccc2)nn1 ZINC000070118387 414766431 /nfs/dbraw/zinc/76/64/31/414766431.db2.gz HAJQNDXUTIRRFS-UHFFFAOYSA-N 1 0 262.382 2.264 10 0 CEAERO CN(Cc1ccsc1)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000070574245 414772660 /nfs/dbraw/zinc/77/26/60/414772660.db2.gz KDFKPQPPTATQFU-NEPJUHHUSA-N 1 0 252.383 2.224 10 0 CEAERO CCN(Cc1ccc(C)cc1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000662862470 414779657 /nfs/dbraw/zinc/77/96/57/414779657.db2.gz PSEBTOLWURUVDT-HNNXBMFYSA-N 1 0 260.381 2.343 10 0 CEAERO C[NH2+]Cc1ccccc1CNc1cc(C(C)C)ncn1 ZINC000404541527 414786975 /nfs/dbraw/zinc/78/69/75/414786975.db2.gz GYWIDLPWMVTNGF-UHFFFAOYSA-N 1 0 270.380 2.353 10 0 CEAERO O=C1CC2(CCCCC2)CC(=O)N1CCC[NH2+]C1CC1 ZINC000041157724 174501099 /nfs/dbraw/zinc/50/10/99/174501099.db2.gz XHNCXJRGGWFNDQ-UHFFFAOYSA-N 1 0 278.396 2.228 10 0 CEAERO C[C@@H](CC(N)=S)[NH2+]CCc1c[nH]c2ccccc12 ZINC000041352187 174530523 /nfs/dbraw/zinc/53/05/23/174530523.db2.gz QYIIWRVJHDVTCN-JTQLQIEISA-N 1 0 261.394 2.365 10 0 CEAERO CC[C@H]1CN(c2ncccc2Br)CC[C@@H]1[NH3+] ZINC000123031716 414790695 /nfs/dbraw/zinc/79/06/95/414790695.db2.gz GVVGPFAPWRKNLW-ONGXEEELSA-N 1 0 284.201 2.408 10 0 CEAERO CCO[C@@H]1CN(c2nc3ccccc3s2)C[C@H]1C[NH3+] ZINC000405571873 414796836 /nfs/dbraw/zinc/79/68/36/414796836.db2.gz HUYQBDKKBFLSEF-ZYHUDNBSSA-N 1 0 277.393 2.096 10 0 CEAERO C[C@]1(C(=O)N2CCC[C@@H](C3CCC3)C2)CCC[NH2+]1 ZINC000662920211 414801759 /nfs/dbraw/zinc/80/17/59/414801759.db2.gz RUIXTIXZYBESAW-UKRRQHHQSA-N 1 0 250.386 2.167 10 0 CEAERO CN(C(=O)Cc1ccc(Cl)cc1)[C@H](C[NH3+])C(F)(F)F ZINC000662974998 414814556 /nfs/dbraw/zinc/81/45/56/414814556.db2.gz CQWHAXDKKAZEQJ-SNVBAGLBSA-N 1 0 294.704 2.231 10 0 CEAERO Cc1cc(C)cc(C(=O)N(C)[C@H](C[NH3+])C(F)(F)F)c1 ZINC000662976355 414815257 /nfs/dbraw/zinc/81/52/57/414815257.db2.gz OFKRCTBGVALZSQ-LLVKDONJSA-N 1 0 274.286 2.265 10 0 CEAERO CN(C(=O)c1ccc2c(c1)CCC2)[C@@H](C[NH3+])C(F)(F)F ZINC000662976704 414816834 /nfs/dbraw/zinc/81/68/34/414816834.db2.gz HIJZYRFPCNHYHL-LBPRGKRZSA-N 1 0 286.297 2.137 10 0 CEAERO CCCC[C@@H](C)C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662984985 414818267 /nfs/dbraw/zinc/81/82/67/414818267.db2.gz QCIUMRLMDUHTTN-BDAKNGLRSA-N 1 0 254.296 2.161 10 0 CEAERO C[C@H](O)c1cccc(NC(=O)NCC(C)(C)C[NH+](C)C)c1 ZINC000041706052 174609753 /nfs/dbraw/zinc/60/97/53/174609753.db2.gz XJQILTJICNUHQI-LBPRGKRZSA-N 1 0 293.411 2.449 10 0 CEAERO Cc1oc(C)c(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1C ZINC000311907790 414861877 /nfs/dbraw/zinc/86/18/77/414861877.db2.gz DQLCAOCJTYIVNL-AVGNSLFASA-N 1 0 262.353 2.014 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc2ccncc2c1 ZINC000653136023 414919801 /nfs/dbraw/zinc/91/98/01/414919801.db2.gz XZHBMMSONIOKEK-IAQYHMDHSA-N 1 0 269.348 2.105 10 0 CEAERO CC(C)(C)c1csc(NC(=O)[C@@H]2CCC[NH2+]2)n1 ZINC000042229515 174661525 /nfs/dbraw/zinc/66/15/25/174661525.db2.gz SQGTVWGTTZSGPT-QMMMGPOBSA-N 1 0 253.371 2.131 10 0 CEAERO CCOCCOC[C@H](O)C[NH2+][C@H](C)CCCC(C)C ZINC000042257661 174668196 /nfs/dbraw/zinc/66/81/96/174668196.db2.gz FQJRUXGSGDEHLP-HUUCEWRRSA-N 1 0 275.433 2.205 10 0 CEAERO C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653057502 414892380 /nfs/dbraw/zinc/89/23/80/414892380.db2.gz DZDMHCRAFZJCOG-GWOFURMSSA-N 1 0 278.318 2.079 10 0 CEAERO CN(CC1CCCC1)C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653081648 414899729 /nfs/dbraw/zinc/89/97/29/414899729.db2.gz WLBNLKPTNPOHGS-GHMZBOCLSA-N 1 0 278.318 2.033 10 0 CEAERO CC(C)[C@H]([NH3+])CCNc1ccc(C(F)(F)F)nn1 ZINC000663276035 414901557 /nfs/dbraw/zinc/90/15/57/414901557.db2.gz UYDYGQWVSNISQY-MRVPVSSYSA-N 1 0 262.279 2.281 10 0 CEAERO Cc1nnc(N(CC2CC2)C(C)C)c(C(N)=[NH2+])c1C ZINC000042584032 174807501 /nfs/dbraw/zinc/80/75/01/174807501.db2.gz JEORPECCINEODZ-UHFFFAOYSA-N 1 0 261.373 2.002 10 0 CEAERO CC(C)Oc1cccc(C[NH2+]C[C@H]2CC(=O)N(C)C2)c1 ZINC000657698317 415053444 /nfs/dbraw/zinc/05/34/44/415053444.db2.gz VFAJFRPLMRELDS-CQSZACIVSA-N 1 0 276.380 2.042 10 0 CEAERO CCNC(=O)CN(CC)[C@@H](c1ccc(F)cc1)[C@@H]([NH3+])CC ZINC000042915357 174914837 /nfs/dbraw/zinc/91/48/37/174914837.db2.gz KEWLNXQRAQSJDR-HOCLYGCPSA-N 1 0 295.402 2.062 10 0 CEAERO C[C@@H]([NH3+])[C@H](Sc1nc[nH]n1)c1ccc(F)cc1 ZINC000042942972 174918955 /nfs/dbraw/zinc/91/89/55/174918955.db2.gz SDZZIEGZWNSUPJ-XCBNKYQSSA-N 1 0 252.318 2.124 10 0 CEAERO COc1ccc([C@H](Sc2nncn2C)[C@H](C)[NH3+])cc1 ZINC000042964623 174928276 /nfs/dbraw/zinc/92/82/76/174928276.db2.gz WEACBNBOYIZUDM-JOYOIKCWSA-N 1 0 278.381 2.004 10 0 CEAERO Cc1cccc([C@@H]([C@@H](C)[NH3+])N(C)Cc2cnn(C)c2)c1 ZINC000042967112 174931217 /nfs/dbraw/zinc/93/12/17/174931217.db2.gz PZSOKMKLXGPRRU-CZUORRHYSA-N 1 0 272.396 2.249 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000042974894 174938789 /nfs/dbraw/zinc/93/87/89/174938789.db2.gz RNGLVCPCRAPBLI-MFKMUULPSA-N 1 0 254.761 2.061 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)N1CCOCC1 ZINC000043019801 174944918 /nfs/dbraw/zinc/94/49/18/174944918.db2.gz GSTWJLXLZIPDOE-MFKMUULPSA-N 1 0 299.212 2.170 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1cccc(Br)c1)n1cncn1 ZINC000043022032 174945380 /nfs/dbraw/zinc/94/53/80/174945380.db2.gz UEPSFCMTEDFTAO-RYUDHWBXSA-N 1 0 295.184 2.367 10 0 CEAERO C[C@H]([NH3+])[C@H](c1ccccc1F)N(C)C[C@@H]1CCCO1 ZINC000043044664 174956220 /nfs/dbraw/zinc/95/62/20/174956220.db2.gz MHKWZHGXPGVQEZ-SLEUVZQESA-N 1 0 266.360 2.325 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccccc1F)N(C)Cc1cnn(C)c1 ZINC000043044799 174956488 /nfs/dbraw/zinc/95/64/88/174956488.db2.gz AWCPMVPCUCVFPT-HOTGVXAUSA-N 1 0 290.386 2.470 10 0 CEAERO CCCN(CC(=O)N(C)C)[C@H](C[NH3+])c1ccccc1Cl ZINC000043052396 174960603 /nfs/dbraw/zinc/96/06/03/174960603.db2.gz VJXINRDDFWCELZ-CQSZACIVSA-N 1 0 297.830 2.140 10 0 CEAERO COc1ccccc1[C@H]([C@@H](C)[NH3+])n1nc(C)cc1C ZINC000043098707 174966377 /nfs/dbraw/zinc/96/63/77/174966377.db2.gz RFIPWOKBDBCORO-DOMZBBRYSA-N 1 0 259.353 2.445 10 0 CEAERO CC[C@@H]([NH3+])[C@H](SCC(=O)OC)c1ccccc1OC ZINC000043101720 174967959 /nfs/dbraw/zinc/96/79/59/174967959.db2.gz OGHVLCXPGCYRBT-BXUZGUMPSA-N 1 0 283.393 2.380 10 0 CEAERO CCCCOCCO[C@H](c1cnn(C)c1)[C@@H]([NH3+])CC ZINC000043235652 174987091 /nfs/dbraw/zinc/98/70/91/174987091.db2.gz MNKQLWQXOGXHPM-UONOGXRCSA-N 1 0 269.389 2.032 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1ncc(C)cn1)c1cnn(C)c1 ZINC000043238657 174988206 /nfs/dbraw/zinc/98/82/06/174988206.db2.gz JUJIUBMCBJMHOP-NEPJUHHUSA-N 1 0 277.397 2.089 10 0 CEAERO CCCN(CC(=O)N(C)C)[C@H](c1ccc(C)s1)[C@@H](C)[NH3+] ZINC000043242713 174990244 /nfs/dbraw/zinc/99/02/44/174990244.db2.gz RWIVSABGJPBISB-DOMZBBRYSA-N 1 0 297.468 2.245 10 0 CEAERO COC(=O)CS[C@H](c1sccc1C)[C@H](C)[NH3+] ZINC000043251434 174994017 /nfs/dbraw/zinc/99/40/17/174994017.db2.gz MCWWEFABGKOQGN-KWQFWETISA-N 1 0 259.396 2.351 10 0 CEAERO CCCN(CCO)[C@H](c1ccc(Cl)s1)[C@@H](C)[NH3+] ZINC000043253312 174994176 /nfs/dbraw/zinc/99/41/76/174994176.db2.gz MZFWKSIMAFXQOK-SKDRFNHKSA-N 1 0 276.833 2.494 10 0 CEAERO CC[NH2+][C@@H](c1ccc(F)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000043300811 175001256 /nfs/dbraw/zinc/00/12/56/175001256.db2.gz BAADVFPLMYDXKI-TVQRCGJNSA-N 1 0 289.347 2.050 10 0 CEAERO CC[NH2+][C@@H](c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043300907 175001358 /nfs/dbraw/zinc/00/13/58/175001358.db2.gz BNVXDJIKDOLZID-AAEUAGOBSA-N 1 0 287.812 2.425 10 0 CEAERO CC[NH2+][C@H](c1ccccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000043300998 175001495 /nfs/dbraw/zinc/00/14/95/175001495.db2.gz GDFNNMLHEGKANM-OCCSQVGLSA-N 1 0 267.394 2.080 10 0 CEAERO CC[NH2+][C@@H](c1ccc(OCC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300785 175001646 /nfs/dbraw/zinc/00/16/46/175001646.db2.gz DRIHAVOIFZVQPZ-HIFRSBDPSA-N 1 0 297.420 2.171 10 0 CEAERO C=C1c2ccccc2C(=O)N1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000043304197 175003017 /nfs/dbraw/zinc/00/30/17/175003017.db2.gz OUEOVCRYTBCDOO-FUNVUKJBSA-N 1 0 254.333 2.396 10 0 CEAERO CC[C@@H]1COCCN1[C@@H](C[NH3+])c1cccc(C)c1C ZINC000043314698 175004801 /nfs/dbraw/zinc/00/48/01/175004801.db2.gz VRNFQDABXMXNDI-ZBFHGGJFSA-N 1 0 262.397 2.414 10 0 CEAERO COc1ccc(Cl)c(NC(=O)[C@@H]2CCC[NH2+]C2)c1 ZINC000043318530 175005516 /nfs/dbraw/zinc/00/55/16/175005516.db2.gz GMIRKTGLBNZNSO-SECBINFHSA-N 1 0 268.744 2.287 10 0 CEAERO COc1ccc(Cl)c(NC(=O)[C@@H]([NH3+])C(C)C)c1 ZINC000043318558 175005540 /nfs/dbraw/zinc/00/55/40/175005540.db2.gz DMQCARHTBVOQHE-NSHDSACASA-N 1 0 256.733 2.270 10 0 CEAERO CCCOC(=O)c1ccc(N[C@@H]2CCC[NH2+]C2)cc1 ZINC000043325334 175006955 /nfs/dbraw/zinc/00/69/55/175006955.db2.gz YXMOQIABVPNUOM-CQSZACIVSA-N 1 0 262.353 2.417 10 0 CEAERO c1cn(CCC[NH2+][C@@H]2CCCNC2)c2ccccc12 ZINC000043325027 175007024 /nfs/dbraw/zinc/00/70/24/175007024.db2.gz NBWHECLTWIOJPT-OAHLLOKOSA-N 1 0 257.381 2.373 10 0 CEAERO CC(C)C(=O)Nc1cccc(N[C@H]2CCC[NH2+]C2)c1 ZINC000043326604 175008286 /nfs/dbraw/zinc/00/82/86/175008286.db2.gz VZOXZQJKEFGOBP-AWEZNQCLSA-N 1 0 261.369 2.445 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccco1)N1CCCC[C@@H]1CCO ZINC000043334494 175010353 /nfs/dbraw/zinc/01/03/53/175010353.db2.gz GPIGYUFCTOYIMO-NFAWXSAZSA-N 1 0 266.385 2.295 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccco1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000043334343 175010743 /nfs/dbraw/zinc/01/07/43/175010743.db2.gz CMHYSWVWWGVJJD-CZXHOFHRSA-N 1 0 252.358 2.167 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccco1)N(C)C[C@@H]1CCCO1 ZINC000043335724 175011380 /nfs/dbraw/zinc/01/13/80/175011380.db2.gz HJOMVIMIMILCNJ-SCRDCRAPSA-N 1 0 252.358 2.169 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccco1)N(CCCO)C(C)C ZINC000043336112 175011889 /nfs/dbraw/zinc/01/18/89/175011889.db2.gz RTISPVHELKDXFI-OCCSQVGLSA-N 1 0 254.374 2.151 10 0 CEAERO COc1cccc(CO[C@H](C[NH3+])c2ccccn2)c1 ZINC000043343046 175015619 /nfs/dbraw/zinc/01/56/19/175015619.db2.gz JOUFCICCSLWJTQ-OAHLLOKOSA-N 1 0 258.321 2.307 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](OCCOC(C)C)c1ccccn1 ZINC000043342852 175015882 /nfs/dbraw/zinc/01/58/82/175015882.db2.gz FGJJNCOBGCJNAC-TZMCWYRMSA-N 1 0 252.358 2.302 10 0 CEAERO CCCCOCCO[C@@H](c1ccccn1)[C@H](C)[NH3+] ZINC000043343338 175015967 /nfs/dbraw/zinc/01/59/67/175015967.db2.gz OXRUSEXYRRYZBE-GXTWGEPZSA-N 1 0 252.358 2.303 10 0 CEAERO [NH3+]C[C@H](Sc1nnc2n1CCCCC2)c1ccccn1 ZINC000043344495 175016259 /nfs/dbraw/zinc/01/62/59/175016259.db2.gz CGKGAOXTTFDZRP-LBPRGKRZSA-N 1 0 289.408 2.192 10 0 CEAERO C[C@H]([NH3+])[C@H](c1cccnc1)N(CCO)C1CCCCC1 ZINC000043348314 175018407 /nfs/dbraw/zinc/01/84/07/175018407.db2.gz MCRYEQSIWNHFHP-XJKSGUPXSA-N 1 0 277.412 2.097 10 0 CEAERO [NH3+]C[C@@H](c1ccncc1)N1CCc2sccc2C1 ZINC000043352936 175020447 /nfs/dbraw/zinc/02/04/47/175020447.db2.gz TXHMRUVVRMFRGQ-ZDUSSCGKSA-N 1 0 259.378 2.201 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccncc1)N(C)[C@@H]1CCSC1 ZINC000043353368 175021070 /nfs/dbraw/zinc/02/10/70/175021070.db2.gz OFTGXNZPFPXGCQ-MGPQQGTHSA-N 1 0 265.426 2.297 10 0 CEAERO Cc1ncsc1CCO[C@H](c1ccncc1)[C@@H](C)[NH3+] ZINC000043355732 175022969 /nfs/dbraw/zinc/02/29/69/175022969.db2.gz MCUUJOOZPDHOLZ-YGRLFVJLSA-N 1 0 277.393 2.494 10 0 CEAERO COC1CCN([C@@H](c2ccc(C)o2)[C@H](C)[NH3+])CC1 ZINC000043364100 175024759 /nfs/dbraw/zinc/02/47/59/175024759.db2.gz KXOIUGQGILYZPV-SMDDNHRTSA-N 1 0 252.358 2.087 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)N(C)[C@@H](C)COC ZINC000043364900 175025522 /nfs/dbraw/zinc/02/55/22/175025522.db2.gz CFUHNERCZLZHKN-JKOKRWQUSA-N 1 0 254.374 2.333 10 0 CEAERO CC[C@@H]([NH3+])[C@H](N(C)CCc1ccccn1)C(F)(F)F ZINC000043376778 175030242 /nfs/dbraw/zinc/03/02/42/175030242.db2.gz POCHRIQZEUHCOF-NEPJUHHUSA-N 1 0 275.318 2.224 10 0 CEAERO Cc1nnc(S[C@H]([C@H](C)[NH3+])C(F)(F)F)s1 ZINC000043386310 175032249 /nfs/dbraw/zinc/03/22/49/175032249.db2.gz IOEIEAYRAJWUTK-WVZVXSGGSA-N 1 0 257.306 2.217 10 0 CEAERO Fc1cc(F)cc(-c2noc([C@@H]3CCC[NH2+]3)n2)c1 ZINC000043387521 175033118 /nfs/dbraw/zinc/03/31/18/175033118.db2.gz NXOCFYLGQNMPIC-JTQLQIEISA-N 1 0 251.236 2.439 10 0 CEAERO CCOC(=O)[C@H](c1cc(C)cc(C)c1)N1CCC[NH2+]CC1 ZINC000043394895 175035445 /nfs/dbraw/zinc/03/54/45/175035445.db2.gz RLTMVDVIGPTSHC-INIZCTEOSA-N 1 0 290.407 2.203 10 0 CEAERO CCOC(=O)[C@@H](NCC[NH+](C)C)c1cc(C)cc(C)c1 ZINC000043394935 175035753 /nfs/dbraw/zinc/03/57/53/175035753.db2.gz BSULRTVRYGDXCA-HNNXBMFYSA-N 1 0 278.396 2.059 10 0 CEAERO CC[NH2+][C@H]1CCC2(C[C@H]1N1CCCC[C@@H]1C)OCCO2 ZINC000043810138 175109729 /nfs/dbraw/zinc/10/97/29/175109729.db2.gz VPEGWCBXVVDMCA-SOUVJXGZSA-N 1 0 282.428 2.135 10 0 CEAERO CC[NH2+][C@H](CN(C)C(C)C)c1ccc2c(c1)OCCO2 ZINC000043813407 175110845 /nfs/dbraw/zinc/11/08/45/175110845.db2.gz VLQYHBRGVOCDCQ-CQSZACIVSA-N 1 0 278.396 2.449 10 0 CEAERO CC[NH2+][C@H](CN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000043811462 175111296 /nfs/dbraw/zinc/11/12/96/175111296.db2.gz JUAMYCXDYFXCRO-IJEWVQPXSA-N 1 0 262.397 2.446 10 0 CEAERO CCCN(CCC)[C@H]1CC2(CC[C@@H]1[NH2+]CC)OCCO2 ZINC000043814806 175111758 /nfs/dbraw/zinc/11/17/58/175111758.db2.gz BKFNAWOKNINSOG-GJZGRUSLSA-N 1 0 284.444 2.382 10 0 CEAERO CC[NH2+][C@H](CN(C)CC)c1ccc2c(c1)OCO2 ZINC000043820440 175113587 /nfs/dbraw/zinc/11/35/87/175113587.db2.gz ILRGUIKXXKAZON-GFCCVEGCSA-N 1 0 250.342 2.018 10 0 CEAERO CCCN(C)C[C@H]([NH2+]C)c1cc(OC)ccc1OC ZINC000043885881 175116822 /nfs/dbraw/zinc/11/68/22/175116822.db2.gz KLDLZUMQZNMYAB-AWEZNQCLSA-N 1 0 266.385 2.306 10 0 CEAERO CCCCCN(C)[C@H]1CC2(CC[C@@H]1[NH2+]CC)OCCO2 ZINC000043889334 175117571 /nfs/dbraw/zinc/11/75/71/175117571.db2.gz JOGLNMORHFMIBT-GJZGRUSLSA-N 1 0 284.444 2.382 10 0 CEAERO C[NH2+][C@H]1c2ccccc2CCC[C@H]1N1CCOC[C@@H]1C ZINC000043890935 175118224 /nfs/dbraw/zinc/11/82/24/175118224.db2.gz FYVBIOLFDCEZAA-XKQJLSEDSA-N 1 0 274.408 2.373 10 0 CEAERO CC[NH2+][C@@H](c1ccccc1)[C@H](C)N1CCOC[C@@H]1C ZINC000043891360 175118272 /nfs/dbraw/zinc/11/82/72/175118272.db2.gz AGPGXIRMAXMART-OFQRWUPVSA-N 1 0 262.397 2.446 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2C[C@@H]1N(C)Cc1ccccn1 ZINC000043894306 175119153 /nfs/dbraw/zinc/11/91/53/175119153.db2.gz DHXYXHMQQUWLPJ-DLBZAZTESA-N 1 0 267.376 2.399 10 0 CEAERO CC[NH2+][C@@H](CN1CCOC(C)(C)C1)c1ccccc1OC ZINC000043897829 175120651 /nfs/dbraw/zinc/12/06/51/175120651.db2.gz PXEQHAUJCZNMNY-HNNXBMFYSA-N 1 0 292.423 2.457 10 0 CEAERO C[NH2+][C@H]1CCCCCC[C@@H]1N(C)C1CCOCC1 ZINC000043898145 175121527 /nfs/dbraw/zinc/12/15/27/175121527.db2.gz ZBZIASGUDIVLPC-GJZGRUSLSA-N 1 0 254.418 2.408 10 0 CEAERO C[NH2+][C@H](CN(C)C1CCOCC1)c1ccccc1C ZINC000043898203 175121535 /nfs/dbraw/zinc/12/15/35/175121535.db2.gz LIBCGZWYIUGDJN-MRXNPFEDSA-N 1 0 262.397 2.366 10 0 CEAERO CCC[NH2+][C@H]1CCOC[C@H]1N(C)Cc1ccc(F)cc1 ZINC000043911406 175123899 /nfs/dbraw/zinc/12/38/99/175123899.db2.gz IDUDWNJBBBDIDT-JKSUJKDBSA-N 1 0 280.387 2.415 10 0 CEAERO CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N(CCOC)CCOC ZINC000043912881 175124093 /nfs/dbraw/zinc/12/40/93/175124093.db2.gz FTYPEMFICHGHLH-JYJNAYRXSA-N 1 0 286.460 2.138 10 0 CEAERO C[NH2+][C@H]1CC[C@@H](c2ccccc2)C[C@@H]1N(C)CCOC ZINC000043915365 175124397 /nfs/dbraw/zinc/12/43/97/175124397.db2.gz YILKSEIMRJYWMF-IKGGRYGDSA-N 1 0 276.424 2.489 10 0 CEAERO CCc1ccc([C@H](CN(C)CCOC)[NH2+]C)cc1 ZINC000043915552 175125036 /nfs/dbraw/zinc/12/50/36/175125036.db2.gz LEOSMKOASNGNNF-HNNXBMFYSA-N 1 0 250.386 2.088 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2OC[C@@H]1N1CCOCC1(C)C ZINC000043917129 175125593 /nfs/dbraw/zinc/12/55/93/175125593.db2.gz KMDQYBRSZZLHDL-GOEBONIOSA-N 1 0 290.407 2.209 10 0 CEAERO CC[NH2+][C@@H]1CCCCC[C@H]1N1CCOCC1(C)C ZINC000043916962 175125742 /nfs/dbraw/zinc/12/57/42/175125742.db2.gz IOAFOMBJAMQEEH-ZIAGYGMSSA-N 1 0 254.418 2.408 10 0 CEAERO C[NH2+][C@@H](CN1CCOCC1(C)C)c1ccccc1OC ZINC000043916643 175125837 /nfs/dbraw/zinc/12/58/37/175125837.db2.gz DDJCMJLWNZUIHB-AWEZNQCLSA-N 1 0 278.396 2.067 10 0 CEAERO C[NH2+][C@@H](CN(C)C[C@@H]1CCCO1)c1ccc(C)cc1 ZINC000043965761 175127337 /nfs/dbraw/zinc/12/73/37/175127337.db2.gz YKNCHNBJIDSZHB-HOTGVXAUSA-N 1 0 262.397 2.366 10 0 CEAERO CCC[NH2+][C@@H]1CCC[C@H]1N(C)C[C@@H]1CCCCO1 ZINC000043966680 175127912 /nfs/dbraw/zinc/12/79/12/175127912.db2.gz YNTHSNNBFWCVER-RRFJBIMHSA-N 1 0 254.418 2.408 10 0 CEAERO C[NH2+][C@H]1c2ccccc2OC[C@H]1N(C)C[C@@H]1CCCCO1 ZINC000043966486 175127915 /nfs/dbraw/zinc/12/79/15/175127915.db2.gz YBKHZTAMBXGAPF-LXZKKBNFSA-N 1 0 290.407 2.209 10 0 CEAERO C[NH2+][C@H](CN(CCOC)C1CC1)c1ccccc1OC ZINC000043969647 175130421 /nfs/dbraw/zinc/13/04/21/175130421.db2.gz XKZPWHLDWUBKMV-OAHLLOKOSA-N 1 0 278.396 2.067 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1Cc1ccc(Br)o1 ZINC000044540075 175200671 /nfs/dbraw/zinc/20/06/71/175200671.db2.gz KOGQFMNFQKBIOJ-VIFPVBQESA-N 1 0 273.174 2.355 10 0 CEAERO Cc1nnc(COc2ccc3c(c2)CCC[C@H]3[NH3+])o1 ZINC000044732440 175241230 /nfs/dbraw/zinc/24/12/30/175241230.db2.gz DNABAHNRAWXSDW-CYBMUJFWSA-N 1 0 259.309 2.293 10 0 CEAERO CCC[NH2+][C@H]1CCCc2cc(O[C@H](C)C(N)=O)ccc21 ZINC000044745760 175241910 /nfs/dbraw/zinc/24/19/10/175241910.db2.gz LNDADAVRWFKWEG-ABAIWWIYSA-N 1 0 276.380 2.316 10 0 CEAERO C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000044747389 175243094 /nfs/dbraw/zinc/24/30/94/175243094.db2.gz IODGUQDFIYYSJM-MLGOLLRUSA-N 1 0 288.391 2.370 10 0 CEAERO CN(Cc1ccccn1)C(=O)C1(C[NH3+])CCCCCC1 ZINC000044762812 175246611 /nfs/dbraw/zinc/24/66/11/175246611.db2.gz ZRUSXDGZMFBODS-UHFFFAOYSA-N 1 0 275.396 2.339 10 0 CEAERO C[C@@H](NC(=O)C1(C[NH3+])CCCCC1)c1ccco1 ZINC000044762700 175246777 /nfs/dbraw/zinc/24/67/77/175246777.db2.gz HTAOHGJDJRPUTG-LLVKDONJSA-N 1 0 250.342 2.366 10 0 CEAERO CCCO[C@H]1CCCN(C(=O)C(CC)(CC)C[NH3+])C1 ZINC000044764005 175247801 /nfs/dbraw/zinc/24/78/01/175247801.db2.gz QYHCSQXMPMIWEX-ZDUSSCGKSA-N 1 0 270.417 2.169 10 0 CEAERO CCO[C@H]1CCCN(C(=O)C2(C[NH3+])CCCCCC2)C1 ZINC000044764013 175247851 /nfs/dbraw/zinc/24/78/51/175247851.db2.gz OEJWSTWQIJEOCK-AWEZNQCLSA-N 1 0 282.428 2.313 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)NC[C@@H]1CCCCO1 ZINC000044808197 175256896 /nfs/dbraw/zinc/25/68/96/175256896.db2.gz FRQUKPWRWXRQKR-ZDUSSCGKSA-N 1 0 270.417 2.217 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)N[C@@H](C)c1cc(C)oc1C ZINC000044808551 175257584 /nfs/dbraw/zinc/25/75/84/175257584.db2.gz UHAKAVHZIVEEHR-JQWIXIFHSA-N 1 0 252.358 2.449 10 0 CEAERO Cc1ccc(C(N)=S)c(NC[C@@H](C)[NH+]2CCCCC2)n1 ZINC000045010089 175289344 /nfs/dbraw/zinc/28/93/44/175289344.db2.gz MHLJHVYCYCMWGY-GFCCVEGCSA-N 1 0 292.452 2.311 10 0 CEAERO CC1([NH2+][C@H]2CC(=O)N(C3CCCC3)C2=O)CCCCC1 ZINC000045043741 175295646 /nfs/dbraw/zinc/29/56/46/175295646.db2.gz GBTXHFGSNYAAGU-ZDUSSCGKSA-N 1 0 278.396 2.369 10 0 CEAERO CCCNC(=O)CC[NH2+][C@@H]1CSCc2ccccc21 ZINC000045072931 175302350 /nfs/dbraw/zinc/30/23/50/175302350.db2.gz UZAGANLGCRZSTR-CQSZACIVSA-N 1 0 278.421 2.480 10 0 CEAERO C[C@@]([NH3+])(C(=O)N1CCC[C@@H]1C1CCCC1)C1CC1 ZINC000045088358 175304550 /nfs/dbraw/zinc/30/45/50/175304550.db2.gz MPSZODUUSMUHIR-HIFRSBDPSA-N 1 0 250.386 2.295 10 0 CEAERO CCCCOCCNC(=O)C1(C[NH3+])CCCCCC1 ZINC000045107977 175308166 /nfs/dbraw/zinc/30/81/66/175308166.db2.gz MIUVGFPMGZVZNY-UHFFFAOYSA-N 1 0 270.417 2.219 10 0 CEAERO CO[C@H]1CCCC[C@H]1[NH2+]CCCCn1ccnc1 ZINC000045106356 175308389 /nfs/dbraw/zinc/30/83/89/175308389.db2.gz VMSRVJJTIHFZTH-KGLIPLIRSA-N 1 0 251.374 2.211 10 0 CEAERO C[C@@H](CN1C(=S)N=NC1c1ccccc1)[NH+](C)C ZINC000045108462 175308729 /nfs/dbraw/zinc/30/87/29/175308729.db2.gz RXPVWDTVFUZQLH-JTQLQIEISA-N 1 0 262.382 2.184 10 0 CEAERO C[C@H]([NH2+][C@@H]1CC1(C)C)c1ccc2c(c1)NC(=O)CO2 ZINC000045116625 175310913 /nfs/dbraw/zinc/31/09/13/175310913.db2.gz UMKCSKOETFZFHV-TVQRCGJNSA-N 1 0 260.337 2.467 10 0 CEAERO CCCCCNC(=O)[C@H](C)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000045135067 175312400 /nfs/dbraw/zinc/31/24/00/175312400.db2.gz WLKYMAHIXZXSOA-LSDHHAIUSA-N 1 0 283.460 2.001 10 0 CEAERO CC[C@H]([NH2+]C)c1cccc(S(=O)(=O)N[C@@H]2CC2(C)C)c1 ZINC000045138175 175314651 /nfs/dbraw/zinc/31/46/51/175314651.db2.gz SJTDSYQBEAIXJS-UONOGXRCSA-N 1 0 296.436 2.434 10 0 CEAERO C[C@H](C(N)=S)[N@H+](C)Cc1cccc2cccnc21 ZINC000045147135 175317487 /nfs/dbraw/zinc/31/74/87/175317487.db2.gz KLLVJJRZWUSLAX-SNVBAGLBSA-N 1 0 259.378 2.341 10 0 CEAERO Cc1nn(C)c(C)c1[C@H](C)[NH2+]CCCOC[C@@H]1CCCO1 ZINC000045168614 175319742 /nfs/dbraw/zinc/31/97/42/175319742.db2.gz JYFYMCWHBLCNLL-WFASDCNBSA-N 1 0 295.427 2.273 10 0 CEAERO Cc1nn(C)c(C)c1-c1c[nH]c([C@@H]([NH3+])CC(C)C)n1 ZINC000045169363 175319804 /nfs/dbraw/zinc/31/98/04/175319804.db2.gz UKSRZHVFWOLGSO-NSHDSACASA-N 1 0 261.373 2.473 10 0 CEAERO Cc1nn(C)c(C)c1-c1c[nH]c([C@@](C)([NH3+])C2CC2)n1 ZINC000045169475 175320107 /nfs/dbraw/zinc/32/01/07/175320107.db2.gz VNPZHFDWVTYNMG-AWEZNQCLSA-N 1 0 259.357 2.011 10 0 CEAERO CCC[C@@](C)([NH3+])c1nc(-c2c(C)nn(C)c2C)c[nH]1 ZINC000045169529 175320145 /nfs/dbraw/zinc/32/01/45/175320145.db2.gz XVVLXWASOSWVHH-CQSZACIVSA-N 1 0 261.373 2.401 10 0 CEAERO Cc1nn(C)c(C)c1[C@H](C)[NH2+][C@@H](CC(C)C)C(=O)N(C)C ZINC000045170065 175320267 /nfs/dbraw/zinc/32/02/67/175320267.db2.gz VVICQVMQGJTPRU-FZMZJTMJSA-N 1 0 294.443 2.190 10 0 CEAERO CCn1nc(C)c(-c2c[nH]c(CC3CC[NH2+]CC3)n2)c1C ZINC000045169596 175320307 /nfs/dbraw/zinc/32/03/07/175320307.db2.gz MXEJVQWKYVVFGV-UHFFFAOYSA-N 1 0 287.411 2.452 10 0 CEAERO Cc1nn(C)c(C)c1[C@H](C)[NH2+][C@@H](CN(C)C)C(C)C ZINC000045172436 175322006 /nfs/dbraw/zinc/32/20/06/175322006.db2.gz OSJKYENQYVRYRR-FZMZJTMJSA-N 1 0 266.433 2.274 10 0 CEAERO CCCC[N@H+](C)CC[C@](C)(NC1CC1)C(=O)OCC ZINC000045222244 175330863 /nfs/dbraw/zinc/33/08/63/175330863.db2.gz QZBCQXHICZMYIY-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CC[N@H+](CC[C@@](C)([NH2+]C)C(=O)[O-])C1CCCCC1 ZINC000045224100 175331926 /nfs/dbraw/zinc/33/19/26/175331926.db2.gz ZRHVHXODQXORRR-CQSZACIVSA-N 1 0 256.390 2.094 10 0 CEAERO COC(=O)[C@](C)(CCN1CCc2ccccc21)NC(C)C ZINC000045224351 175332157 /nfs/dbraw/zinc/33/21/57/175332157.db2.gz YPKKDBMSLABBRJ-KRWDZBQOSA-N 1 0 290.407 2.369 10 0 CEAERO COC(=O)[C@](C)(CCN1CCc2ccccc21)NC1CC1 ZINC000045224362 175332229 /nfs/dbraw/zinc/33/22/29/175332229.db2.gz BYHXARHEJPKENA-KRWDZBQOSA-N 1 0 288.391 2.123 10 0 CEAERO CCOC(=O)[C@@](C)(C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(C)C ZINC000045224540 175333027 /nfs/dbraw/zinc/33/30/27/175333027.db2.gz ONZAFVLGKPZDNV-IJEWVQPXSA-N 1 0 284.444 2.284 10 0 CEAERO CCOC(=O)[C@@](C)(C[NH+]1CCCCCC1)NC(C)C ZINC000045228800 175334277 /nfs/dbraw/zinc/33/42/77/175334277.db2.gz QRUOKHBYASHFIN-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CCC[NH+](CCC)C[C@](C)(NC1CC1)C(=O)OCC ZINC000045230378 175334563 /nfs/dbraw/zinc/33/45/63/175334563.db2.gz LFWUYRQXLJGMSN-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CCCC[NH+](CCCC)C[C@](C)(NCCC)C(N)=O ZINC000045232723 175336062 /nfs/dbraw/zinc/33/60/62/175336062.db2.gz NATOLHUCTFVNDL-HNNXBMFYSA-N 1 0 271.449 2.132 10 0 CEAERO CCCC[NH+](CCCC)C[C@@](C)(NC)C(=O)OCC ZINC000045232697 175336081 /nfs/dbraw/zinc/33/60/81/175336081.db2.gz JOTYQKQZRQGFLH-OAHLLOKOSA-N 1 0 272.433 2.430 10 0 CEAERO CCOC(=O)[C@](C)(CC[N@H+](CC)C(C)C)NC(C)C ZINC000045265685 175338088 /nfs/dbraw/zinc/33/80/88/175338088.db2.gz ICXFVFNNCMNZGT-HNNXBMFYSA-N 1 0 272.433 2.427 10 0 CEAERO CCCN[C@](C[N@H+](CC)C(C)C)(C(N)=O)c1ccccc1 ZINC000045265418 175338256 /nfs/dbraw/zinc/33/82/56/175338256.db2.gz UBZVVVKOKMXKDO-KRWDZBQOSA-N 1 0 291.439 2.097 10 0 CEAERO CCOC(=O)[C@@](C)(CC[N@H+](CC)C(C)C)NC(C)C ZINC000045265688 175338314 /nfs/dbraw/zinc/33/83/14/175338314.db2.gz ICXFVFNNCMNZGT-OAHLLOKOSA-N 1 0 272.433 2.427 10 0 CEAERO CCOC(=O)[C@@](N)(C[N@H+](C)C1CCCC1)c1ccccc1 ZINC000045266058 175338853 /nfs/dbraw/zinc/33/88/53/175338853.db2.gz IGOMGOJRKPPYTG-QGZVFWFLSA-N 1 0 290.407 2.278 10 0 CEAERO CCN[C@@](C)(CC[N@@H+]1CCCC[C@@H]1CC)C(=O)OC ZINC000045265970 175339148 /nfs/dbraw/zinc/33/91/48/175339148.db2.gz XRKWGQQYBVCBBT-ZFWWWQNUSA-N 1 0 270.417 2.182 10 0 CEAERO CCCCC[N@H+](C)C[C@](N)(C(=O)OC)c1ccccc1 ZINC000045268062 175339607 /nfs/dbraw/zinc/33/96/07/175339607.db2.gz XTAWQEKKHXYEGN-MRXNPFEDSA-N 1 0 278.396 2.136 10 0 CEAERO CCC[N@H+](CC)CC[C@](C)(NC1CC1)C(=O)OCC ZINC000045267735 175340052 /nfs/dbraw/zinc/34/00/52/175340052.db2.gz UFRBNLFCRSVPID-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CCCCC[N@H+](C)C[C@](NC)(C(=O)OC)c1ccccc1 ZINC000045268074 175340237 /nfs/dbraw/zinc/34/02/37/175340237.db2.gz HMXVIOJDTMWSCP-QGZVFWFLSA-N 1 0 292.423 2.396 10 0 CEAERO CCCCC[N@H+](C)C[C@@](C)(NC(C)C)C(=O)OCC ZINC000045268164 175340582 /nfs/dbraw/zinc/34/05/82/175340582.db2.gz MPKALNRKAHVVAG-OAHLLOKOSA-N 1 0 272.433 2.428 10 0 CEAERO CCCN[C@@](C)(CC[N@H+](C)C[C@@H](C)CC)C(=O)OC ZINC000045268475 175340688 /nfs/dbraw/zinc/34/06/88/175340688.db2.gz OHRPXUKAPLDYCW-ZFWWWQNUSA-N 1 0 272.433 2.286 10 0 CEAERO CCC(CC)[N@H+](C)CC[C@](C)(NC(C)C)C(=O)OC ZINC000045269745 175341224 /nfs/dbraw/zinc/34/12/24/175341224.db2.gz FZMCYZUIPMQJBI-HNNXBMFYSA-N 1 0 272.433 2.427 10 0 CEAERO C[C@](CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)([NH2+]C1CC1)C(=O)[O-] ZINC000045272129 175343213 /nfs/dbraw/zinc/34/32/13/175343213.db2.gz JLUPDHHECKCNKT-JJRVBVJISA-N 1 0 294.439 2.484 10 0 CEAERO CCC[N@H+](CC[C@](C)(NCC)C(=O)OC)CC1CC1 ZINC000045276910 175346191 /nfs/dbraw/zinc/34/61/91/175346191.db2.gz UXEDMXCIJXQAOY-HNNXBMFYSA-N 1 0 270.417 2.040 10 0 CEAERO CCCCC[N@H+](C[C@](C)(NC)C(=O)OCC)C(C)C ZINC000045278555 175348257 /nfs/dbraw/zinc/34/82/57/175348257.db2.gz WYEHWRJOJKIJFL-HNNXBMFYSA-N 1 0 272.433 2.428 10 0 CEAERO COC(=O)[C@](C)(C[N@H+](C)[C@@H](C)CC(C)C)NC(C)C ZINC000045279968 175349954 /nfs/dbraw/zinc/34/99/54/175349954.db2.gz IKTUMMKMOFHGPK-ZFWWWQNUSA-N 1 0 272.433 2.283 10 0 CEAERO CC(C)[NH2+][C@@](C)(CCCC[N@@H+]1CCC[C@@H]1C)C(=O)[O-] ZINC000045367742 175362951 /nfs/dbraw/zinc/36/29/51/175362951.db2.gz ONZZMCYOAMMXPW-ZFWWWQNUSA-N 1 0 270.417 2.482 10 0 CEAERO CCCC[N@H+](C)CCC[C@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000045368323 175363184 /nfs/dbraw/zinc/36/31/84/175363184.db2.gz AODLRLCIIUJAAF-AWEZNQCLSA-N 1 0 256.390 2.094 10 0 CEAERO CCCN[C@@](C)(CCC[N@@H+]1CCC[C@@H]1C)C(=O)OC ZINC000045367936 175363278 /nfs/dbraw/zinc/36/32/78/175363278.db2.gz NPLVBHHOHWIUQY-ZFWWWQNUSA-N 1 0 270.417 2.182 10 0 CEAERO CCCC[N@H+](C)CCC[C@@](C)(NCCC)C(=O)OC ZINC000045368384 175363722 /nfs/dbraw/zinc/36/37/22/175363722.db2.gz ULNSQZUECALPEF-OAHLLOKOSA-N 1 0 272.433 2.430 10 0 CEAERO CCCC[N@H+](CC)CCC[C@](C)(NC)C(=O)OCC ZINC000045370666 175364360 /nfs/dbraw/zinc/36/43/60/175364360.db2.gz ZWKSUIRMVHKXDI-HNNXBMFYSA-N 1 0 272.433 2.430 10 0 CEAERO CC[NH+](CC)CCCC[C@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045375810 175366081 /nfs/dbraw/zinc/36/60/81/175366081.db2.gz UCXJHOIDJMHSMU-AWEZNQCLSA-N 1 0 258.406 2.340 10 0 CEAERO CCN[C@](C)(CCC[NH+](CC)CC)C(=O)OCC ZINC000045375925 175366113 /nfs/dbraw/zinc/36/61/13/175366113.db2.gz DTSPFIYUBPKMQY-CQSZACIVSA-N 1 0 258.406 2.040 10 0 CEAERO CC[NH2+][C@](C)(CCC[NH+]1CCCCCC1)C(=O)[O-] ZINC000045377492 175366919 /nfs/dbraw/zinc/36/69/19/175366919.db2.gz ZQODGUKCVGELAZ-CQSZACIVSA-N 1 0 256.390 2.095 10 0 CEAERO CC[NH2+][C@@](C)(CCCCN(C)c1ccccc1)C(N)=O ZINC000045376565 175367107 /nfs/dbraw/zinc/36/71/07/175367107.db2.gz RLKNOTWXWOCLPZ-INIZCTEOSA-N 1 0 277.412 2.147 10 0 CEAERO CCCN[C@@H](C[NH+](CCC)CCC)C(=O)OCC ZINC000045378450 175367395 /nfs/dbraw/zinc/36/73/95/175367395.db2.gz FPKDTWXIZUNPHC-ZDUSSCGKSA-N 1 0 258.406 2.040 10 0 CEAERO CCOC(=O)[C@@H](C[NH+]1[C@@H](C)CCC[C@@H]1C)NC(C)C ZINC000045379504 175368276 /nfs/dbraw/zinc/36/82/76/175368276.db2.gz ZTBQBFXDRLBDAY-MELADBBJSA-N 1 0 270.417 2.179 10 0 CEAERO CCCC[NH+](CCCC)C[C@H](NCC)C(=O)OC ZINC000045380507 175369222 /nfs/dbraw/zinc/36/92/22/175369222.db2.gz RDHZEZWNVKILSV-ZDUSSCGKSA-N 1 0 258.406 2.040 10 0 CEAERO CCC[N@H+](C)CCC[C@@](C)(NC(C)C)C(=O)OCC ZINC000045382399 175370974 /nfs/dbraw/zinc/37/09/74/175370974.db2.gz LPYXHVNHDBROLN-OAHLLOKOSA-N 1 0 272.433 2.428 10 0 CEAERO CCOC(=O)[C@H](C[N@H+](C)[C@@H](C)C(C)(C)C)NC1CC1 ZINC000045420968 175379669 /nfs/dbraw/zinc/37/96/69/175379669.db2.gz PJLJRWJFYPZWBZ-AAEUAGOBSA-N 1 0 270.417 2.037 10 0 CEAERO CCCC[N@H+](C[C@@H](NC(C)C)C(=O)OCC)C1CC1 ZINC000045421710 175379686 /nfs/dbraw/zinc/37/96/86/175379686.db2.gz MOUDIVIFVPNGCY-CQSZACIVSA-N 1 0 270.417 2.181 10 0 CEAERO CCC[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)C1CCCC1 ZINC000658239880 415274377 /nfs/dbraw/zinc/27/43/77/415274377.db2.gz GXHBTLHCAATFNF-OCCSQVGLSA-N 1 0 252.402 2.413 10 0 CEAERO CCOc1ccccc1[C@@H](C)[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000658243450 415278140 /nfs/dbraw/zinc/27/81/40/415278140.db2.gz DHTATUWMPGEVGK-CHWSQXEVSA-N 1 0 276.380 2.214 10 0 CEAERO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1cc(F)cc(F)c1 ZINC000658243085 415279415 /nfs/dbraw/zinc/27/94/15/415279415.db2.gz AGAJRSIPCGQMEO-UWVGGRQHSA-N 1 0 268.307 2.094 10 0 CEAERO CCN(c1ccc(C)cc1)[C@H](C[NH3+])c1cnn(C)c1 ZINC000049978368 175506126 /nfs/dbraw/zinc/50/61/26/175506126.db2.gz SWQNKHDUZCLGMK-OAHLLOKOSA-N 1 0 258.369 2.255 10 0 CEAERO COc1cc(C(=[NH2+])N2CCOCC2)cc(Cl)c1OC ZINC000062995560 175680223 /nfs/dbraw/zinc/68/02/23/175680223.db2.gz MJZGUWSOZRWHEA-UHFFFAOYSA-N 1 0 284.743 2.015 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C1CCC2(CC2)CC1 ZINC000659294340 415494324 /nfs/dbraw/zinc/49/43/24/415494324.db2.gz ZJBGYMAIDYYKKP-QWHCGFSZSA-N 1 0 250.386 2.200 10 0 CEAERO O=C(NCc1ccc(Cl)c(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000659358362 415537623 /nfs/dbraw/zinc/53/76/23/415537623.db2.gz HWOCDNYXTJVZMA-VIFPVBQESA-N 1 0 273.163 2.219 10 0 CEAERO [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000659362430 415540358 /nfs/dbraw/zinc/54/03/58/415540358.db2.gz ZBTGWJOMYCFBCY-HTOAHKCRSA-N 1 0 250.386 2.056 10 0 CEAERO CO[C@H](CNC(=O)[C@H]1CCC[C@H]([NH3+])C1)C1CCCCC1 ZINC000659385145 415555778 /nfs/dbraw/zinc/55/57/78/415555778.db2.gz VIXZCPOAEIZKLL-SOUVJXGZSA-N 1 0 282.428 2.215 10 0 CEAERO CCC[N@H+](CC)C[C@@H](O)COCc1ccccc1 ZINC000070198809 175882055 /nfs/dbraw/zinc/88/20/55/175882055.db2.gz HXLLEDOUGBBUFP-OAHLLOKOSA-N 1 0 251.370 2.296 10 0 CEAERO CC[C@@]1(C)C[C@@H]([NH2+][C@@H](C)C(=O)N2CCCCC2)CCO1 ZINC000070358533 175888494 /nfs/dbraw/zinc/88/84/94/175888494.db2.gz MMDJEKOZQLKOBV-DZKIICNBSA-N 1 0 282.428 2.325 10 0 CEAERO COC[C@H](C)Oc1c(OC)cc(C[C@H](C)[NH3+])cc1OC ZINC000070378194 175900490 /nfs/dbraw/zinc/90/04/90/175900490.db2.gz GYCGDFLAYYVUPV-QWRGUYRKSA-N 1 0 283.368 2.007 10 0 CEAERO COc1cc(OC)c([C@@H](O)[C@H]2C[C@@H](C)CC[NH2+]2)c(OC)c1 ZINC000070398931 175909834 /nfs/dbraw/zinc/90/98/34/175909834.db2.gz BGKGKCZUFPGGBJ-IETSOEAISA-N 1 0 295.379 2.134 10 0 CEAERO CC[NH2+][C@@H](Cc1csc(C)n1)Cc1cccnc1N ZINC000070407486 175913506 /nfs/dbraw/zinc/91/35/06/175913506.db2.gz CZAGVLYHIQDSKJ-GFCCVEGCSA-N 1 0 276.409 2.192 10 0 CEAERO CCCn1cc(Cl)cc1C(=O)NC[C@@H]([NH3+])C(C)C ZINC000070446932 175938762 /nfs/dbraw/zinc/93/87/62/175938762.db2.gz CDMNKVVSNLBIPS-LLVKDONJSA-N 1 0 271.792 2.265 10 0 CEAERO CCc1nc(N[C@@H]2CCC[NH2+]C2)cc(-c2ccncc2)n1 ZINC000070456611 175940727 /nfs/dbraw/zinc/94/07/27/175940727.db2.gz RBQARJFHSHFXAK-CYBMUJFWSA-N 1 0 283.379 2.265 10 0 CEAERO Cc1ccc(-c2cc3c(N4CC[C@H]([NH3+])C4)nccn3n2)cc1 ZINC000070459322 175941537 /nfs/dbraw/zinc/94/15/37/175941537.db2.gz LZAGQWBROZIVJS-AWEZNQCLSA-N 1 0 293.374 2.242 10 0 CEAERO Cc1ccnc(N[C@@H](CC(C)C)C[NH+](C)C)c1N ZINC000070496412 175957320 /nfs/dbraw/zinc/95/73/20/175957320.db2.gz YTQREAYPEGSVBI-LBPRGKRZSA-N 1 0 250.390 2.360 10 0 CEAERO CCC[NH2+]C[C@H](C)CN1C(=O)C(=O)c2cccc(C)c21 ZINC000070527325 175971501 /nfs/dbraw/zinc/97/15/01/175971501.db2.gz YHEMFQKQALNFDF-NSHDSACASA-N 1 0 274.364 2.160 10 0 CEAERO C[NH2+][C@H](CC(F)(F)F)c1ccc2c(c1)C(=O)NCC2 ZINC000070536629 175976003 /nfs/dbraw/zinc/97/60/03/175976003.db2.gz VRCUJBANOAZLNJ-LLVKDONJSA-N 1 0 272.270 2.185 10 0 CEAERO CC(C)N(CC1CC1)C(=O)c1ccc(CC[NH3+])cc1 ZINC000070542149 175977828 /nfs/dbraw/zinc/97/78/28/175977828.db2.gz LHBWOHMOOFJQQT-UHFFFAOYSA-N 1 0 260.381 2.448 10 0 CEAERO C[NH2+][C@@H](c1ccc(C)o1)c1ccc2c(c1)C(=O)NCC2 ZINC000070544796 175979311 /nfs/dbraw/zinc/97/93/11/175979311.db2.gz QTKIRPAHCMNKAY-OAHLLOKOSA-N 1 0 270.332 2.183 10 0 CEAERO CCC(CC)N(CCOC)C(=O)c1ccc(CC[NH3+])cc1 ZINC000070552266 175981110 /nfs/dbraw/zinc/98/11/10/175981110.db2.gz UCIYMOOZHIOCCR-UHFFFAOYSA-N 1 0 292.423 2.465 10 0 CEAERO COC(=O)c1ccc(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)c(C)c1 ZINC000070575443 175990849 /nfs/dbraw/zinc/99/08/49/175990849.db2.gz DRSMZJIOCQGYOU-DGCLKSJQSA-N 1 0 290.363 2.238 10 0 CEAERO Cc1ccc(OCCN(C)C(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000070576030 175991361 /nfs/dbraw/zinc/99/13/61/175991361.db2.gz BHFZWUZEQCBBFP-GJZGRUSLSA-N 1 0 290.407 2.350 10 0 CEAERO CC(C)(C)OC(=O)Nc1ccc(F)c(C(N)=[NH2+])c1 ZINC000070660394 175999852 /nfs/dbraw/zinc/99/98/52/175999852.db2.gz TUNRUWLERDNSKW-UHFFFAOYSA-N 1 0 253.277 2.457 10 0 CEAERO C[C@@H]([NH2+]CCc1nnc[nH]1)c1ccc(Cl)s1 ZINC000070819395 176007464 /nfs/dbraw/zinc/00/74/64/176007464.db2.gz UHNKRNVDODMFAX-SSDOTTSWSA-N 1 0 256.762 2.413 10 0 CEAERO Cc1nc(CNC2=[NH+]C[C@H](C3CC3)S2)cs1 ZINC000070888462 176010141 /nfs/dbraw/zinc/01/01/41/176010141.db2.gz SBTXJGSBPRVYHT-SNVBAGLBSA-N 1 0 253.396 2.423 10 0 CEAERO [NH3+]CCN(C(=O)c1cc(F)ccc1F)C1CCCC1 ZINC000070943705 176016573 /nfs/dbraw/zinc/01/65/73/176016573.db2.gz KUKGIWWNQCMOTA-UHFFFAOYSA-N 1 0 268.307 2.308 10 0 CEAERO [NH3+]CCN(C(=O)[C@H]1C[C@H]2CC[C@@H]1C2)C1CCCC1 ZINC000070943719 176016796 /nfs/dbraw/zinc/01/67/96/176016796.db2.gz DROCROTZDIKAEV-SCRDCRAPSA-N 1 0 250.386 2.153 10 0 CEAERO Cc1ccc(NC[C@@H](O)C[NH+](C)C)cc1Br ZINC000070993968 176020101 /nfs/dbraw/zinc/02/01/01/176020101.db2.gz GWXZPJYTVWOYCJ-LLVKDONJSA-N 1 0 287.201 2.092 10 0 CEAERO OCC1CC[NH+](C[C@H]2OCCc3ccccc32)CC1 ZINC000071030838 176022025 /nfs/dbraw/zinc/02/20/25/176022025.db2.gz NNRMASSTKLWDEZ-MRXNPFEDSA-N 1 0 261.365 2.005 10 0 CEAERO C[C@H](c1ccc(F)cc1)N1CC[C@H]([NH2+]C2CC2)C1=O ZINC000071032077 176022898 /nfs/dbraw/zinc/02/28/98/176022898.db2.gz AYTXKWMBKAMEGM-YGRLFVJLSA-N 1 0 262.328 2.240 10 0 CEAERO Cc1ccc(CN2CCC[C@@H]([NH2+]C(C)C)C2=O)cc1 ZINC000071033085 176023486 /nfs/dbraw/zinc/02/34/86/176023486.db2.gz KNUCEIGJKJMMEM-OAHLLOKOSA-N 1 0 260.381 2.484 10 0 CEAERO C[NH2+][C@@H]1CCCN(c2nc(C(C)(C)C)cs2)C1=O ZINC000071034796 176024848 /nfs/dbraw/zinc/02/48/48/176024848.db2.gz KHYHJWIQZMHFBL-SECBINFHSA-N 1 0 267.398 2.155 10 0 CEAERO C[NH2+][C@H]1CCCN(CCc2ccc(Cl)cc2)C1=O ZINC000071034435 176025006 /nfs/dbraw/zinc/02/50/06/176025006.db2.gz XGWVPEDNHRXEQL-ZDUSSCGKSA-N 1 0 266.772 2.093 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN(c2ccc(F)c(F)c2F)C1=O ZINC000071037805 176026380 /nfs/dbraw/zinc/02/63/80/176026380.db2.gz HBTGHBXITCKMCM-SECBINFHSA-N 1 0 272.270 2.207 10 0 CEAERO CC(C)[NH2+][C@H]1CCN(c2ccc3c(c2)CCC3)C1=O ZINC000071037840 176026495 /nfs/dbraw/zinc/02/64/95/176026495.db2.gz WIWRDTUGZAYJKK-HNNXBMFYSA-N 1 0 258.365 2.279 10 0 CEAERO COc1ccc(N2CC[C@H]([NH2+]C3CC3)C2=O)cc1Cl ZINC000071038111 176026758 /nfs/dbraw/zinc/02/67/58/176026758.db2.gz NTIKDXNRBOZBGQ-LBPRGKRZSA-N 1 0 280.755 2.206 10 0 CEAERO CCC[NH2+][C@H]1CCCN(Cc2ccccc2OC)C1=O ZINC000071038034 176026761 /nfs/dbraw/zinc/02/67/61/176026761.db2.gz QAWISCHEDLETPD-AWEZNQCLSA-N 1 0 276.380 2.186 10 0 CEAERO CCC[NH2+][C@H]1CCCN(Cc2cccs2)C1=O ZINC000071039669 176027097 /nfs/dbraw/zinc/02/70/97/176027097.db2.gz JVRJFXJVSWCBEP-LBPRGKRZSA-N 1 0 252.383 2.239 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCN1c1ccc(F)c(Cl)c1 ZINC000071038970 176027105 /nfs/dbraw/zinc/02/71/05/176027105.db2.gz VFRGLXRGQSCWOT-LBPRGKRZSA-N 1 0 268.719 2.336 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCCN1Cc1cccc(F)c1 ZINC000071039034 176027149 /nfs/dbraw/zinc/02/71/49/176027149.db2.gz YKFRVRWJCCUZFY-CQSZACIVSA-N 1 0 262.328 2.069 10 0 CEAERO Cc1ccc(N2CC[C@@H]([NH2+]C(C)C)C2=O)c(F)c1 ZINC000071038844 176027239 /nfs/dbraw/zinc/02/72/39/176027239.db2.gz IQTKMBYUMWMDEQ-GFCCVEGCSA-N 1 0 250.317 2.237 10 0 CEAERO CC(C)[NH2+][C@H]1CCCN([C@H](C)c2ccccn2)C1=O ZINC000071040348 176027754 /nfs/dbraw/zinc/02/77/54/176027754.db2.gz SQMVMBTYNIWYAQ-OCCSQVGLSA-N 1 0 261.369 2.132 10 0 CEAERO CCC[NH2+][C@H]1CCCN(Cc2cccc(C)c2)C1=O ZINC000071041267 176027856 /nfs/dbraw/zinc/02/78/56/176027856.db2.gz NUEMWRSWNOMWSZ-HNNXBMFYSA-N 1 0 260.381 2.486 10 0 CEAERO CCC[NH2+][C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000071042049 176028394 /nfs/dbraw/zinc/02/83/94/176028394.db2.gz OMQIIMNFRHSMGL-CQSZACIVSA-N 1 0 282.334 2.455 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN(c2cc(F)c(F)cc2F)C1=O ZINC000071042638 176028740 /nfs/dbraw/zinc/02/87/40/176028740.db2.gz ISCHDAQTPVORAL-LLVKDONJSA-N 1 0 272.270 2.207 10 0 CEAERO CC(C)[NH2+][C@H]1CCN([C@@H](C)Cc2cccs2)C1=O ZINC000071043794 176029564 /nfs/dbraw/zinc/02/95/64/176029564.db2.gz UGBYAVDWRTVHHV-AAEUAGOBSA-N 1 0 266.410 2.278 10 0 CEAERO CC[NH2+][C@@H]1CCCN(Cc2cc(F)ccc2F)C1=O ZINC000071043743 176029897 /nfs/dbraw/zinc/02/98/97/176029897.db2.gz WSVUKAVLWUQDIA-CYBMUJFWSA-N 1 0 268.307 2.065 10 0 CEAERO CC(C)[NH2+][C@H]1CCN([C@H](C)Cc2cccs2)C1=O ZINC000071043798 176029924 /nfs/dbraw/zinc/02/99/24/176029924.db2.gz UGBYAVDWRTVHHV-YPMHNXCESA-N 1 0 266.410 2.278 10 0 CEAERO CC(C)N(C)CC[NH2+]C[C@H]1OCCc2ccccc21 ZINC000071091126 176031561 /nfs/dbraw/zinc/03/15/61/176031561.db2.gz OGRXNNDIXZBTLV-MRXNPFEDSA-N 1 0 262.397 2.230 10 0 CEAERO CC[C@@H]1CCC[C@@](C[NH3+])(N(C)Cc2nccn2C)C1 ZINC000071124733 176035285 /nfs/dbraw/zinc/03/52/85/176035285.db2.gz MCDBDWXFDMCGKW-UKRRQHHQSA-N 1 0 264.417 2.150 10 0 CEAERO CC[C@@H]1CCCC[C@@]1(CN)[N@H+](C)C[C@@H]1CCCO1 ZINC000071161818 176046430 /nfs/dbraw/zinc/04/64/30/176046430.db2.gz CNYJCIYNKTUOHM-ILXRZTDVSA-N 1 0 254.418 2.395 10 0 CEAERO CC[C@H]1CCCC[C@@]1(C[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000071161473 176046483 /nfs/dbraw/zinc/04/64/83/176046483.db2.gz XFPSLLVWCQRCLS-XGUBFFRZSA-N 1 0 254.418 2.393 10 0 CEAERO CC[C@H](C)[NH2+][C@](C)(CO)Cc1ccc(OC)cc1 ZINC000071169930 176050369 /nfs/dbraw/zinc/05/03/69/176050369.db2.gz XVSUYHGXZUXNQI-WFASDCNBSA-N 1 0 251.370 2.377 10 0 CEAERO CC(C)Oc1cncc(NC[C@H]([NH3+])c2ccccc2)n1 ZINC000071176119 176054825 /nfs/dbraw/zinc/05/48/25/176054825.db2.gz CTZAXYQDSZAQLK-ZDUSSCGKSA-N 1 0 272.352 2.376 10 0 CEAERO [NH3+]Cc1cnc(Sc2ccc(F)c(F)c2)cn1 ZINC000071178525 176055647 /nfs/dbraw/zinc/05/56/47/176055647.db2.gz JNMMWOSYJVVEGA-UHFFFAOYSA-N 1 0 253.277 2.365 10 0 CEAERO CC[NH+](CC)CCC[C@H](C)Nc1cnc(C(N)=S)cn1 ZINC000071180671 176056663 /nfs/dbraw/zinc/05/66/63/176056663.db2.gz KVTYJILUAAQOQP-NSHDSACASA-N 1 0 295.456 2.033 10 0 CEAERO CCC[NH2+][C@H](C)c1ccc(O[C@H]2CCN(C)C2=O)cc1 ZINC000071182903 176058106 /nfs/dbraw/zinc/05/81/06/176058106.db2.gz PLQWUFURRWHGBS-DOMZBBRYSA-N 1 0 276.380 2.357 10 0 CEAERO CCC[NH2+][C@H]1CCc2c1cccc2O[C@@H]1CCN(C)C1=O ZINC000071183209 176058486 /nfs/dbraw/zinc/05/84/86/176058486.db2.gz DYEDYJUJYUNHKQ-GOEBONIOSA-N 1 0 288.391 2.283 10 0 CEAERO CN1CC[C@@H]([NH2+]Cc2ccccc2C(F)(F)F)C1=O ZINC000071183871 176059235 /nfs/dbraw/zinc/05/92/35/176059235.db2.gz QRNBFEPDGGSMJV-LLVKDONJSA-N 1 0 272.270 2.026 10 0 CEAERO CN(C[C@@H]1CC[N@H+](C)C1)c1ccc(N)c2cnccc21 ZINC000071188497 176062553 /nfs/dbraw/zinc/06/25/53/176062553.db2.gz LJAKVBPUNBMEGD-GFCCVEGCSA-N 1 0 270.380 2.205 10 0 CEAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)Cc1c[nH]c2ccccc12 ZINC000071192946 176074436 /nfs/dbraw/zinc/07/44/36/176074436.db2.gz GDYJRNDZDIFBFK-CYBMUJFWSA-N 1 0 285.391 2.121 10 0 CEAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1c[nH]c2ccccc12 ZINC000071192944 176074595 /nfs/dbraw/zinc/07/45/95/176074595.db2.gz FLKZQLNQLRMZSB-GFCCVEGCSA-N 1 0 271.364 2.192 10 0 CEAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)Cc1c[nH]c2ccccc12 ZINC000071192945 176074754 /nfs/dbraw/zinc/07/47/54/176074754.db2.gz GDYJRNDZDIFBFK-ZDUSSCGKSA-N 1 0 285.391 2.121 10 0 CEAERO CC[NH2+][C@@H]1CCCN(CCc2ccc3c(c2)OCCO3)C1 ZINC000071198077 176076476 /nfs/dbraw/zinc/07/64/76/176076476.db2.gz WXDCZKBZBJWKNW-OAHLLOKOSA-N 1 0 290.407 2.074 10 0 CEAERO Fc1cc(F)c(F)c(N2CC[C@H]([NH2+]C3CC3)C2)c1 ZINC000071199661 176077079 /nfs/dbraw/zinc/07/70/79/176077079.db2.gz JQKICMVFLCBNKX-JTQLQIEISA-N 1 0 256.271 2.435 10 0 CEAERO CC[NH2+][C@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000071199143 176077253 /nfs/dbraw/zinc/07/72/53/176077253.db2.gz QMUHPOJXTSOXAF-HNNXBMFYSA-N 1 0 250.361 2.442 10 0 CEAERO CCC[NH2+][C@@H]1CCCN(CCc2nccs2)C1 ZINC000071200265 176077612 /nfs/dbraw/zinc/07/76/12/176077612.db2.gz MMFWEGXXDXCQTM-GFCCVEGCSA-N 1 0 253.415 2.150 10 0 CEAERO CCC(CC)N1C(=O)C[C@@H]([NH2+][C@H]2CCC[C@@H]2C)C1=O ZINC000071207047 176080325 /nfs/dbraw/zinc/08/03/25/176080325.db2.gz OFLKMYRUDZJBST-WCFLWFBJSA-N 1 0 266.385 2.081 10 0 CEAERO [NH3+]Cc1cc(F)ccc1Cn1c(=O)cnc2ccccc21 ZINC000071263748 176096868 /nfs/dbraw/zinc/09/68/68/176096868.db2.gz XFBJWPQSJAZMNA-UHFFFAOYSA-N 1 0 283.306 2.043 10 0 CEAERO NC(=S)c1cc(F)ccc1C[NH+]1CCCCC1 ZINC000071265691 176099271 /nfs/dbraw/zinc/09/92/71/176099271.db2.gz JGSIGWVAIWINMB-UHFFFAOYSA-N 1 0 252.358 2.446 10 0 CEAERO Cn1c2ccccc2nc1[C@H]1C[NH2+]C[C@H](C2CC2)O1 ZINC000071308772 176116399 /nfs/dbraw/zinc/11/63/99/176116399.db2.gz BVMFZKOGWUKYIV-ZIAGYGMSSA-N 1 0 257.337 2.013 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)NCc1ccc(Cl)s1 ZINC000071308329 176116529 /nfs/dbraw/zinc/11/65/29/176116529.db2.gz DUHHJYUSXAWXEB-VIFPVBQESA-N 1 0 272.801 2.407 10 0 CEAERO CCN(CC(=O)N(C1=CCCCC1)C1CC1)[C@@H]1CC[NH2+]C1 ZINC000071313166 176119702 /nfs/dbraw/zinc/11/97/02/176119702.db2.gz QUYSXWOHOOQTFU-MRXNPFEDSA-N 1 0 291.439 2.119 10 0 CEAERO CCN(Cc1ncc(C(C)(C)C)o1)[C@H]1CC[NH2+]C1 ZINC000071313573 176119971 /nfs/dbraw/zinc/11/99/71/176119971.db2.gz AALDTYLAMVSNFH-NSHDSACASA-N 1 0 251.374 2.156 10 0 CEAERO CCN(Cc1cc(OC)c(OC)cc1C)[C@@H]1CC[NH2+]C1 ZINC000071313666 176120238 /nfs/dbraw/zinc/12/02/38/176120238.db2.gz FRXCNRREJQUUHG-CQSZACIVSA-N 1 0 278.396 2.196 10 0 CEAERO CCCc1[nH+]c2cc(N)ccc2n1Cc1ccnn1C ZINC000071335142 176127123 /nfs/dbraw/zinc/12/71/23/176127123.db2.gz DWKGMRBBPSLMDA-UHFFFAOYSA-N 1 0 269.352 2.353 10 0 CEAERO CC(C)(C)OC(=O)N1CC([NH2+]CCc2ccc(O)cc2)C1 ZINC000071335880 176127449 /nfs/dbraw/zinc/12/74/49/176127449.db2.gz MYBPBZDSOVLMGM-UHFFFAOYSA-N 1 0 292.379 2.144 10 0 CEAERO C[NH2+][C@H](C)c1ccc(NC(=O)NCc2ccnn2C)cc1 ZINC000071336411 176128031 /nfs/dbraw/zinc/12/80/31/176128031.db2.gz OXMONHHHJALRSB-LLVKDONJSA-N 1 0 287.367 2.022 10 0 CEAERO C[C@@H]1CCC[NH2+][C@@H]1CNC(=O)CCC1CCCC1 ZINC000071338480 176128718 /nfs/dbraw/zinc/12/87/18/176128718.db2.gz VSNXNCHTWWYCQJ-TZMCWYRMSA-N 1 0 252.402 2.461 10 0 CEAERO CC[C@@H]1C[N@H+](C[C@@H]2CCCCO2)[C@H](C(C)C)CN1 ZINC000071343717 176130799 /nfs/dbraw/zinc/13/07/99/176130799.db2.gz XAACFISZPSBDDN-ILXRZTDVSA-N 1 0 254.418 2.264 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1CCn1ccnc1C ZINC000071346526 176132124 /nfs/dbraw/zinc/13/21/24/176132124.db2.gz CEZQDYNXXHJGTI-LSDHHAIUSA-N 1 0 278.444 2.290 10 0 CEAERO Cn1cc(CN2C[C@@H](C(C)(C)C)[NH2+]C[C@@]2(C)C2CC2)cn1 ZINC000071349229 176132543 /nfs/dbraw/zinc/13/25/43/176132543.db2.gz AKOVFSLJRZPCPX-RDJZCZTQSA-N 1 0 290.455 2.409 10 0 CEAERO CC(C)(C)[C@H]1CN(CCn2cccn2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000071349279 176132770 /nfs/dbraw/zinc/13/27/70/176132770.db2.gz CNTQDHDBNCGSHO-NVXWUHKLSA-N 1 0 290.455 2.372 10 0 CEAERO COc1cccc(CN2C[C@@H](CC(C)C)[NH2+]C[C@@H]2C)n1 ZINC000071349562 176132971 /nfs/dbraw/zinc/13/29/71/176132971.db2.gz DUPFCJMHFULHRT-DZGCQCFKSA-N 1 0 277.412 2.299 10 0 CEAERO CC[C@]1(C)C[NH2+][C@@H](CC(C)C)CN1CCOCCOC ZINC000071351857 176134811 /nfs/dbraw/zinc/13/48/11/176134811.db2.gz WOYDWGQWGYHYFL-JKSUJKDBSA-N 1 0 286.460 2.138 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](Cc2ccccc2)CN1C[C@@H]1CCCO1 ZINC000071352753 176135531 /nfs/dbraw/zinc/13/55/31/176135531.db2.gz KSCHALJMRBODPV-KSZLIROESA-N 1 0 288.435 2.461 10 0 CEAERO COCCC[N@@H+]1C[C@@H](Cc2ccccc2)NCC1(C)C ZINC000071353237 176135652 /nfs/dbraw/zinc/13/56/52/176135652.db2.gz HOXVOFIFZYVMBU-MRXNPFEDSA-N 1 0 276.424 2.318 10 0 CEAERO CCC[C@@H]1C[NH2+][C@H]([C@@H](C)CC)CN1CCn1cccn1 ZINC000071354505 176136326 /nfs/dbraw/zinc/13/63/26/176136326.db2.gz XMRMUCKYYPCSLY-XHSDSOJGSA-N 1 0 278.444 2.372 10 0 CEAERO CC[C@@H]1C[NH2+]C2(CCCCC2)CN1Cc1ncccn1 ZINC000071359394 176137649 /nfs/dbraw/zinc/13/76/49/176137649.db2.gz XWSQPBVOZKHSRI-CQSZACIVSA-N 1 0 274.412 2.363 10 0 CEAERO CCC[C@H]1C[NH2+]C2(CCCC2)CN1CCOCCOC ZINC000071358437 176137769 /nfs/dbraw/zinc/13/77/69/176137769.db2.gz FCWRQHBCILASDB-HNNXBMFYSA-N 1 0 284.444 2.036 10 0 CEAERO c1cnc(CN2CC3(CCCCC3)[NH2+]C[C@@H]2C2CC2)nc1 ZINC000071359715 176137805 /nfs/dbraw/zinc/13/78/05/176137805.db2.gz PRAWTHUTTLRKML-OAHLLOKOSA-N 1 0 286.423 2.363 10 0 CEAERO CC(C)n1c(C[NH3+])nnc1SCc1ccccn1 ZINC000071374261 176140009 /nfs/dbraw/zinc/14/00/09/176140009.db2.gz WWXRLVYBDJAYOH-UHFFFAOYSA-N 1 0 263.370 2.005 10 0 CEAERO C[N@H+](CCNC(=O)c1cc(N)cn1C1CC1)C1CCCC1 ZINC000071376474 176141046 /nfs/dbraw/zinc/14/10/46/176141046.db2.gz TZVJMLIHIUUMMF-UHFFFAOYSA-N 1 0 290.411 2.009 10 0 CEAERO C[N@H+](CCNc1nccnc1Cl)C1CCCC1 ZINC000071379835 176144214 /nfs/dbraw/zinc/14/42/14/176144214.db2.gz FYNRRCWQBZTLRR-UHFFFAOYSA-N 1 0 254.765 2.416 10 0 CEAERO Cc1ccc(N)c(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)c1 ZINC000071383414 176146440 /nfs/dbraw/zinc/14/64/40/176146440.db2.gz QWKOSURPXMAAAQ-CYBMUJFWSA-N 1 0 277.412 2.283 10 0 CEAERO O=c1cc(-c2ccccc2)nc([C@H]2CCCC[NH2+]2)[nH]1 ZINC000071396343 176150393 /nfs/dbraw/zinc/15/03/93/176150393.db2.gz ADJLOJUEZGJZGB-GFCCVEGCSA-N 1 0 255.321 2.252 10 0 CEAERO COC(=O)CCCOc1ccc(C[NH3+])cc1C(F)(F)F ZINC000071398330 176151731 /nfs/dbraw/zinc/15/17/31/176151731.db2.gz NQOUCUWTIQNMCO-UHFFFAOYSA-N 1 0 291.269 2.496 10 0 CEAERO [NH3+][C@@H](CCCN1CCn2ccnc2C1)c1ccccc1 ZINC000071402088 176153936 /nfs/dbraw/zinc/15/39/36/176153936.db2.gz RKCPKTUCQQQHLC-HNNXBMFYSA-N 1 0 270.380 2.179 10 0 CEAERO CCC[NH2+]Cc1cc(C)ccc1OCC(=O)OCC ZINC000071406306 176155965 /nfs/dbraw/zinc/15/59/65/176155965.db2.gz FEXGQIHJRINIBS-UHFFFAOYSA-N 1 0 265.353 2.437 10 0 CEAERO Cc1nccn1CCOc1ccc(C)cc1CC[NH3+] ZINC000071411488 176156966 /nfs/dbraw/zinc/15/69/66/176156966.db2.gz DCDLTYGSGIJMLU-UHFFFAOYSA-N 1 0 259.353 2.080 10 0 CEAERO CCOC(=O)[C@@H](C)Oc1ccc(C)cc1C[C@H](C)[NH3+] ZINC000071411793 176157237 /nfs/dbraw/zinc/15/72/37/176157237.db2.gz BLMSJHOXIRRTGW-NWDGAFQWSA-N 1 0 265.353 2.215 10 0 CEAERO Cc1ccc(O[C@@H](C)C(=O)NCC(C)C)c(CC[NH3+])c1 ZINC000071411255 176157239 /nfs/dbraw/zinc/15/72/39/176157239.db2.gz IEYPEZMZTVSWLX-ZDUSSCGKSA-N 1 0 278.396 2.036 10 0 CEAERO Cc1ccc(OCc2ncccn2)c(C[C@H](C)[NH3+])c1 ZINC000071411908 176157357 /nfs/dbraw/zinc/15/73/57/176157357.db2.gz STFWTNXPVFMEPC-LBPRGKRZSA-N 1 0 257.337 2.254 10 0 CEAERO CC[C@H]([NH3+])Cc1cc(C)ccc1O[C@H](C)C(=O)NC1CC1 ZINC000071412128 176157631 /nfs/dbraw/zinc/15/76/31/176157631.db2.gz YMLPKZXEOYRIFK-OCCSQVGLSA-N 1 0 290.407 2.321 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc(C)ccc1O[C@H](C)C(=O)NC1CC1 ZINC000071412129 176157646 /nfs/dbraw/zinc/15/76/46/176157646.db2.gz YMLPKZXEOYRIFK-TZMCWYRMSA-N 1 0 290.407 2.321 10 0 CEAERO CC(C)Oc1cccc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000071412889 176158071 /nfs/dbraw/zinc/15/80/71/176158071.db2.gz UTHQTLBHAGKWJM-IUODEOHRSA-N 1 0 276.380 2.202 10 0 CEAERO CC[C@@H]([NH2+]C)C(=O)c1cc(OC)c(C)cc1OC ZINC000071573173 176199944 /nfs/dbraw/zinc/19/99/44/176199944.db2.gz ANBCEBLPRGXBPI-LLVKDONJSA-N 1 0 251.326 2.193 10 0 CEAERO Brc1cccc(N2CCC[NH2+]CC2)c1 ZINC000071576403 176204281 /nfs/dbraw/zinc/20/42/81/176204281.db2.gz BYJKKABFUUVLCW-UHFFFAOYSA-N 1 0 255.159 2.249 10 0 CEAERO CCCOc1ccc([C@@H](C)CN2CC[NH2+]CC2)cc1 ZINC000071594595 176217752 /nfs/dbraw/zinc/21/77/52/176217752.db2.gz OZKJLCIMSSUDCB-AWEZNQCLSA-N 1 0 262.397 2.484 10 0 CEAERO Brc1ccc(CC[C@H]2COCC[NH2+]2)cc1 ZINC000071601306 176228359 /nfs/dbraw/zinc/22/83/59/176228359.db2.gz HIBJTEDDXAJNJV-LBPRGKRZSA-N 1 0 270.170 2.370 10 0 CEAERO O=C(Cc1ccc(Cl)cc1Cl)CN1CC[NH2+]CC1 ZINC000071643537 176239704 /nfs/dbraw/zinc/23/97/04/176239704.db2.gz LPLHTUFZVRPWCT-UHFFFAOYSA-N 1 0 287.190 2.010 10 0 CEAERO COc1ccc([C@H]2Cc3n[nH]c(C)c3[C@@H]([NH3+])C2)c(OC)c1 ZINC000072415412 176399820 /nfs/dbraw/zinc/39/98/20/176399820.db2.gz YJUYHEHVCXLPEX-MFKMUULPSA-N 1 0 287.363 2.465 10 0 CEAERO CN(CC(C)(C)[NH3+])c1ccncc1Br ZINC000656608928 415784398 /nfs/dbraw/zinc/78/43/98/415784398.db2.gz OXMBVOWPWNPAGK-UHFFFAOYSA-N 1 0 258.163 2.018 10 0 CEAERO Cc1cnc(N2CCC([C@H]3CCC[NH2+]C3)CC2)nc1 ZINC000656608387 415785621 /nfs/dbraw/zinc/78/56/21/415785621.db2.gz JHPGNYYRRFAECP-AWEZNQCLSA-N 1 0 260.385 2.001 10 0 CEAERO Fc1ccc(N2CCC([C@@H]3CCC[NH2+]C3)CC2)nc1 ZINC000656608697 415785656 /nfs/dbraw/zinc/78/56/56/415785656.db2.gz MJGDENAESVXQOF-CYBMUJFWSA-N 1 0 263.360 2.437 10 0 CEAERO CC[NH+](CC)CCn1c(=O)[nH]c2ccc(Cl)cc2c1=O ZINC000073658294 176484063 /nfs/dbraw/zinc/48/40/63/176484063.db2.gz YDJPUOYZRPTDCI-UHFFFAOYSA-N 1 0 295.770 2.097 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCC[C@H](C2CCC2)C1 ZINC000662716163 415941926 /nfs/dbraw/zinc/94/19/26/415941926.db2.gz RHTROYGHBOKXMP-AEGPPILISA-N 1 0 264.413 2.413 10 0 CEAERO CC(C)[NH+](CCCNC(=O)N[C@H](C)[C@@H]1CCCO1)C(C)C ZINC000074853989 176623299 /nfs/dbraw/zinc/62/32/99/176623299.db2.gz BPQZXAOAPLBEGV-CABCVRRESA-N 1 0 299.459 2.362 10 0 CEAERO COc1cc(C)c(C(=O)[C@@H](C)[NH2+]C2CC2)c(OC)c1 ZINC000076362322 177002732 /nfs/dbraw/zinc/00/27/32/177002732.db2.gz JKANZOXVZBXNJF-SNVBAGLBSA-N 1 0 263.337 2.335 10 0 CEAERO C[NH2+]CC(=O)N[C@H](C)c1ccc(OC(C)(C)C)cc1 ZINC000076368874 177005802 /nfs/dbraw/zinc/00/58/02/177005802.db2.gz XFPDKLDJHSXKJM-LLVKDONJSA-N 1 0 264.369 2.261 10 0 CEAERO COc1cc(Cl)c(C)cc1NC(=O)C1(C[NH3+])CC1 ZINC000076400558 177016878 /nfs/dbraw/zinc/01/68/78/177016878.db2.gz KCTPOJGEGTYTMH-UHFFFAOYSA-N 1 0 268.744 2.334 10 0 CEAERO O=C(OCc1ccccc1Br)[C@@H]1CCC[NH2+]1 ZINC000076489372 177027404 /nfs/dbraw/zinc/02/74/04/177027404.db2.gz OLLCXSZTHIEVKR-NSHDSACASA-N 1 0 284.153 2.244 10 0 CEAERO CC(C)Oc1ccccc1NC(=O)C[C@H](C)C[NH3+] ZINC000076654701 177044364 /nfs/dbraw/zinc/04/43/64/177044364.db2.gz IFWAQITXURTKGF-NSHDSACASA-N 1 0 250.342 2.397 10 0 CEAERO Cc1ccc(CN(CC[NH3+])Cc2cccnc2)cc1 ZINC000076660899 177048868 /nfs/dbraw/zinc/04/88/68/177048868.db2.gz IPLFSSJMBGQNDO-UHFFFAOYSA-N 1 0 255.365 2.351 10 0 CEAERO COc1cccc(OC[C@@H](C[NH3+])c2ccccn2)c1 ZINC000076666153 177051211 /nfs/dbraw/zinc/05/12/11/177051211.db2.gz KOZVBERJEKUESO-GFCCVEGCSA-N 1 0 258.321 2.212 10 0 CEAERO C[C@H](C[NH3+])CC(=O)Nc1ccc(Br)cc1 ZINC000076710913 177067659 /nfs/dbraw/zinc/06/76/59/177067659.db2.gz BVOLAPULMIFJFM-QMMMGPOBSA-N 1 0 271.158 2.373 10 0 CEAERO C[NH2+]C[C@@H](O)CN(C)c1ccccc1C(C)(C)C ZINC000077432350 177268376 /nfs/dbraw/zinc/26/83/76/177268376.db2.gz QDFIYZDGNXZUJO-GFCCVEGCSA-N 1 0 250.386 2.001 10 0 CEAERO C[NH+](C)CC(C)(C)CNc1nnc(Br)s1 ZINC000077898472 177308536 /nfs/dbraw/zinc/30/85/36/177308536.db2.gz JCCGPXMCFJEGHE-UHFFFAOYSA-N 1 0 293.234 2.300 10 0 CEAERO CC(C)[C@H](C)NC(=O)NCC[NH+](C(C)C)C(C)C ZINC000078434948 177341220 /nfs/dbraw/zinc/34/12/20/177341220.db2.gz BMXDDBUHCIVIPM-ZDUSSCGKSA-N 1 0 257.422 2.449 10 0 CEAERO COCCc1ccc(-c2c[nH]c(C[C@@H](C)[NH3+])n2)cc1 ZINC000078900064 177403949 /nfs/dbraw/zinc/40/39/49/177403949.db2.gz QIYLANGEIFLPLZ-LLVKDONJSA-N 1 0 259.353 2.155 10 0 CEAERO Cc1csc(Cc2noc(CC[C@H](C)CC[NH3+])n2)n1 ZINC000079069313 177426555 /nfs/dbraw/zinc/42/65/55/177426555.db2.gz RXSYHKYJSRZFFM-VIFPVBQESA-N 1 0 280.397 2.343 10 0 CEAERO C[C@H](CC[NH3+])CCC(=O)NCCc1cccs1 ZINC000079078754 177429570 /nfs/dbraw/zinc/42/95/70/177429570.db2.gz MPVNTMKNBXGQRJ-NSHDSACASA-N 1 0 254.399 2.172 10 0 CEAERO C[C@@H](CC[NH3+])CCC(=O)N(C)CCOc1ccccc1F ZINC000079118264 177436197 /nfs/dbraw/zinc/43/61/97/177436197.db2.gz DANNCCWULNCFMG-CYBMUJFWSA-N 1 0 296.386 2.428 10 0 CEAERO CC[C@H](CC[NH3+])CCc1nc(-c2ccccn2)no1 ZINC000079200199 177444286 /nfs/dbraw/zinc/44/42/86/177444286.db2.gz YSNIVGFXMYANHB-NSHDSACASA-N 1 0 260.341 2.439 10 0 CEAERO CC[C@H](CC[NH3+])CCC(=O)N[C@@H](C)c1ccncc1 ZINC000079207919 177446021 /nfs/dbraw/zinc/44/60/21/177446021.db2.gz SGVIQKZNBWUHOZ-STQMWFEESA-N 1 0 263.385 2.414 10 0 CEAERO CC[C@H](CC[NH3+])CCC(=O)NCCOCCC(C)C ZINC000079212731 177447926 /nfs/dbraw/zinc/44/79/26/177447926.db2.gz VVFUFGNHJOEXBF-AWEZNQCLSA-N 1 0 272.433 2.321 10 0 CEAERO C[C@@H](NC(=O)CC[C@@H](CC[NH3+])C(C)(C)C)[C@@H]1CCCO1 ZINC000079289845 177464388 /nfs/dbraw/zinc/46/43/88/177464388.db2.gz DHECBNINOYPBOH-RDBSUJKOSA-N 1 0 284.444 2.461 10 0 CEAERO CC(C)(C)[C@@H](CC[NH3+])CCC(=O)NC1(CO)CCCC1 ZINC000079293508 177465403 /nfs/dbraw/zinc/46/54/03/177465403.db2.gz OPOYSBKFGPEXLR-CYBMUJFWSA-N 1 0 284.444 2.199 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](C(=O)N2CCC[C@@H](C(C)(C)C)CC2)C1 ZINC000079342040 177470361 /nfs/dbraw/zinc/47/03/61/177470361.db2.gz NJGBBAZOZOWMAM-RDBSUJKOSA-N 1 0 282.428 2.038 10 0 CEAERO CN(C)c1c(Cl)cccc1NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079512619 177510674 /nfs/dbraw/zinc/51/06/74/177510674.db2.gz YZZVSHVMHFNIIN-CQSZACIVSA-N 1 0 281.787 2.487 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+])c1ccc(F)cc1 ZINC000079532239 177516923 /nfs/dbraw/zinc/51/69/23/177516923.db2.gz XWMCGRUINIKCFS-DJOIZQNCSA-N 1 0 276.355 2.376 10 0 CEAERO C[NH2+][C@H]1CCC(C)(C)C[C@@H]1N(C)Cc1cnn(C)c1 ZINC000079623558 177528115 /nfs/dbraw/zinc/52/81/15/177528115.db2.gz HIKPFTVLKFJTPE-KBPBESRZSA-N 1 0 264.417 2.019 10 0 CEAERO C[NH2+]CC[C@H]1CCCCN1C(=O)c1ccc(Cl)cn1 ZINC000079730690 177545030 /nfs/dbraw/zinc/54/50/30/177545030.db2.gz QVMAVABXKHWNLR-GFCCVEGCSA-N 1 0 281.787 2.339 10 0 CEAERO CCC[C@H](COC)[NH2+][C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000079760908 177552062 /nfs/dbraw/zinc/55/20/62/177552062.db2.gz FJDYWCJGQNAMLL-GXTWGEPZSA-N 1 0 289.383 2.128 10 0 CEAERO NC(=[NH2+])[C@@H](NC(=O)Oc1ccccc1)c1ccccc1 ZINC000079778366 177557196 /nfs/dbraw/zinc/55/71/96/177557196.db2.gz GENHOMGCOSDFJF-ZDUSSCGKSA-N 1 0 269.304 2.452 10 0 CEAERO C[NH2+]Cc1ccc2c(ccn2CCOCCOC)c1 ZINC000080077993 177605096 /nfs/dbraw/zinc/60/50/96/177605096.db2.gz OKKDBKJCGKFPDV-UHFFFAOYSA-N 1 0 262.353 2.024 10 0 CEAERO [NH3+]CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)CCCCC1 ZINC000080148471 177614823 /nfs/dbraw/zinc/61/48/23/177614823.db2.gz BZHVDIPAGVOYNF-XQQFMLRXSA-N 1 0 250.386 2.200 10 0 CEAERO COc1cc(C[NH2+]CC[C@@H]2CCCO2)cc2c1OCO2 ZINC000075762395 419418291 /nfs/dbraw/zinc/41/82/91/419418291.db2.gz WQVBRNIXXGMIJW-LBPRGKRZSA-N 1 0 279.336 2.083 10 0 CEAERO CCN(CC[NH3+])c1ccnc2cc(Br)cnc21 ZINC000135570354 419440588 /nfs/dbraw/zinc/44/05/88/419440588.db2.gz LVTJDHBGPJBYIL-UHFFFAOYSA-N 1 0 295.184 2.177 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]1c1ccncc1 ZINC000136314406 419443525 /nfs/dbraw/zinc/44/35/25/419443525.db2.gz KWVQNXJZCHDTJJ-UONOGXRCSA-N 1 0 261.369 2.119 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)NCc1cccc(Cl)c1 ZINC000136311717 419443636 /nfs/dbraw/zinc/44/36/36/419443636.db2.gz QZLQMJKMHTYNMP-LBPRGKRZSA-N 1 0 254.761 2.330 10 0 CEAERO CNC(=O)c1cc(NC(=O)C[C@H]([NH3+])C(C)C)ccc1Cl ZINC000136369926 419445260 /nfs/dbraw/zinc/44/52/60/419445260.db2.gz CXUJBTVAEPTNBP-LBPRGKRZSA-N 1 0 297.786 2.012 10 0 CEAERO CCc1ccc(O)c(NC(=O)C[C@H]([NH3+])C(C)C)c1 ZINC000136488769 419447935 /nfs/dbraw/zinc/44/79/35/419447935.db2.gz XIZPATHNYHAKNU-NSHDSACASA-N 1 0 250.342 2.267 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCCc2ccccc2C1 ZINC000136459548 419448621 /nfs/dbraw/zinc/44/86/21/419448621.db2.gz ZZJOPOGQMUKKHF-HNNXBMFYSA-N 1 0 260.381 2.335 10 0 CEAERO C[C@@H](CCC1CC1)[NH2+]C[C@@H](O)CN1CCCCC1 ZINC000186269880 270249570 /nfs/dbraw/zinc/24/95/70/270249570.db2.gz GOZRDEUDFMQGML-DZGCQCFKSA-N 1 0 254.418 2.002 10 0 CEAERO Cc1c([C@H](C)[NH2+]C[C@@H](C)N2CCOCC2)cnn1C(C)C ZINC000191145166 270271949 /nfs/dbraw/zinc/27/19/49/270271949.db2.gz LKBRKFKJPJQWSE-KGLIPLIRSA-N 1 0 294.443 2.144 10 0 CEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CC/C=C/c1ccccc1 ZINC000392927452 270341763 /nfs/dbraw/zinc/34/17/63/270341763.db2.gz DEGZQZUSRUOPLV-MKNKUNMXSA-N 1 0 258.365 2.347 10 0 CEAERO COc1ccc(C)cc1[C@@H](C)NC(=O)[C@@H]([NH3+])C1CCC1 ZINC000399094933 270365997 /nfs/dbraw/zinc/36/59/97/270365997.db2.gz XYCJJLPQYUFNEE-ABAIWWIYSA-N 1 0 276.380 2.308 10 0 CEAERO O[C@@H]1CC[C@@H]2C[N@H+](CCCOCC(F)(F)F)C[C@H]2C1 ZINC000399113159 270366144 /nfs/dbraw/zinc/36/61/44/270366144.db2.gz XMRYFRRQURSIMG-IJLUTSLNSA-N 1 0 281.318 2.048 10 0 CEAERO CC(C)[C@H](C)[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1 ZINC000159080998 273552583 /nfs/dbraw/zinc/55/25/83/273552583.db2.gz UGVIWYMHNTWKKF-NWDGAFQWSA-N 1 0 259.357 2.357 10 0 CEAERO C[C@@H]1CC[C@H](C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)O1 ZINC000153348504 287722000 /nfs/dbraw/zinc/72/20/00/287722000.db2.gz HULUZNLSVGXGNL-QLFBSQMISA-N 1 0 280.412 2.031 10 0 CEAERO C[C@@H]1CCN(c2ccc3c(n2)CCCC3=O)[C@@H](C[NH3+])C1 ZINC000333922644 274304754 /nfs/dbraw/zinc/30/47/54/274304754.db2.gz RPCRZQVTPKYMCW-VXGBXAGGSA-N 1 0 273.380 2.164 10 0 CEAERO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)[C@H](n2cncn2)C1 ZINC000328886181 287790642 /nfs/dbraw/zinc/79/06/42/287790642.db2.gz NUKAHJLZEYJHGX-CWVYHPPDSA-N 1 0 292.427 2.149 10 0 CEAERO [NH3+]Cc1ccc(C(=O)N[C@H]2CCOc3ccccc32)cc1 ZINC000037032399 274953643 /nfs/dbraw/zinc/95/36/43/274953643.db2.gz GNAXVHKGZHCUIA-HNNXBMFYSA-N 1 0 282.343 2.399 10 0 CEAERO [NH3+][C@H]1CCC[C@H](C(=O)Nc2ccnc3ccncc32)C1 ZINC000262659153 274962576 /nfs/dbraw/zinc/96/25/76/274962576.db2.gz WNHKVMYJDIMEHH-QWRGUYRKSA-N 1 0 270.336 2.086 10 0 CEAERO O=c1oc2ccc(Cl)cc2n1C1CC[NH2+]CC1 ZINC000041630353 275044220 /nfs/dbraw/zinc/04/42/20/275044220.db2.gz CXVJYZHOACZDMZ-UHFFFAOYSA-N 1 0 252.701 2.172 10 0 CEAERO CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)CCO1 ZINC000085978814 275687949 /nfs/dbraw/zinc/68/79/49/275687949.db2.gz LFOCLJQVUBQUBY-XGUBFFRZSA-N 1 0 255.402 2.331 10 0 CEAERO CC1(C)CN(c2ccncc2Br)CC[C@@H]1[NH3+] ZINC000261585725 275850943 /nfs/dbraw/zinc/85/09/43/275850943.db2.gz QOROONLERRQEQS-NSHDSACASA-N 1 0 284.201 2.408 10 0 CEAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc(F)nc1 ZINC000127938077 276112448 /nfs/dbraw/zinc/11/24/48/276112448.db2.gz AQERVIPKSKMPCV-JTQLQIEISA-N 1 0 268.336 2.073 10 0 CEAERO CC1(NC(=O)[C@H]2C[C@H]2C2CCCCC2)CC[NH2+]CC1 ZINC000193376960 276170369 /nfs/dbraw/zinc/17/03/69/276170369.db2.gz MQTCWBXRUSLSOR-KBPBESRZSA-N 1 0 264.413 2.461 10 0 CEAERO CCC(=O)CCC[N@@H+]1C[C@H]2CCCCN2C[C@H]1C ZINC000300120513 276200427 /nfs/dbraw/zinc/20/04/27/276200427.db2.gz SAXFPVRYSANSES-ZIAGYGMSSA-N 1 0 252.402 2.304 10 0 CEAERO CCCCOCC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000249807625 276238307 /nfs/dbraw/zinc/23/83/07/276238307.db2.gz AROCIGXIOSOOMV-GJZGRUSLSA-N 1 0 255.402 2.430 10 0 CEAERO CCC[C@H](C(=O)N[C@@H](C)C[C@H](O)c1ccccc1)[NH+](C)C ZINC000154185687 276282188 /nfs/dbraw/zinc/28/21/88/276282188.db2.gz WNGLRJGUGJYXJD-IMJJTQAJSA-N 1 0 292.423 2.345 10 0 CEAERO CCC[C@H](C(=O)NCc1nc2cc(C)ccc2[nH]1)[NH+](C)C ZINC000179495871 276282265 /nfs/dbraw/zinc/28/22/65/276282265.db2.gz RLJPFWZRELDSON-CQSZACIVSA-N 1 0 288.395 2.218 10 0 CEAERO CCN1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)c2ccccc21 ZINC000246739902 276381882 /nfs/dbraw/zinc/38/18/82/276381882.db2.gz YXLKFQCVJAUBGC-UONOGXRCSA-N 1 0 287.407 2.377 10 0 CEAERO CC[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc2c(c1)CCO2 ZINC000180583248 276593511 /nfs/dbraw/zinc/59/35/11/276593511.db2.gz CQSWPAZMWFJRRX-GJZGRUSLSA-N 1 0 298.390 2.269 10 0 CEAERO CC(=O)Oc1cc(C)c(NC(=O)[C@@H]2CCCC[NH2+]2)c(C)c1 ZINC000504266406 277094160 /nfs/dbraw/zinc/09/41/60/277094160.db2.gz YGYZVGXQFIWYLW-AWEZNQCLSA-N 1 0 290.363 2.309 10 0 CEAERO CC(=O)Oc1ccc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1 ZINC000123181839 277094459 /nfs/dbraw/zinc/09/44/59/277094459.db2.gz DJHQGWZGQNFFAR-XJKSGUPXSA-N 1 0 288.391 2.280 10 0 CEAERO CN1CCO[C@@H](C[NH2+][C@@H]2CC(C)(C)c3ccccc32)C1 ZINC000180489581 277119672 /nfs/dbraw/zinc/11/96/72/277119672.db2.gz FENUDAOCPUGTGP-XJKSGUPXSA-N 1 0 274.408 2.329 10 0 CEAERO CNc1nc2ccccc2nc1N[C@@H]1CCCC[C@H]1[NH3+] ZINC000095071384 277305686 /nfs/dbraw/zinc/30/56/86/277305686.db2.gz APJSGMRXQRLAEM-GHMZBOCLSA-N 1 0 271.368 2.353 10 0 CEAERO CC(C)[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091545206 277780171 /nfs/dbraw/zinc/78/01/71/277780171.db2.gz JMOCPFFKAYOXQS-MCIONIFRSA-N 1 0 252.402 2.399 10 0 CEAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(C)C2=O)CC(C)(C)C1 ZINC000344600989 278029894 /nfs/dbraw/zinc/02/98/94/278029894.db2.gz JGGFZMXUXKIQJC-AGIUHOORSA-N 1 0 252.402 2.412 10 0 CEAERO C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000187900751 278051896 /nfs/dbraw/zinc/05/18/96/278051896.db2.gz DNBGCBOPSOYCNO-HRCADAONSA-N 1 0 294.439 2.278 10 0 CEAERO CC(C)c1nccnc1N[C@@H](C)C[NH+]1CCCCC1 ZINC000413086530 278080294 /nfs/dbraw/zinc/08/02/94/278080294.db2.gz CSMLFJFHWLAMMU-ZDUSSCGKSA-N 1 0 262.401 2.308 10 0 CEAERO CC1(C)C(NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])C1(C)C ZINC000261570828 278182643 /nfs/dbraw/zinc/18/26/43/278182643.db2.gz KPQFMCLOPIQRSO-WDEREUQCSA-N 1 0 252.402 2.445 10 0 CEAERO C[C@@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccccc1F ZINC000108994237 278195748 /nfs/dbraw/zinc/19/57/48/278195748.db2.gz HCNLDFGRXQDNDL-VXGBXAGGSA-N 1 0 264.344 2.092 10 0 CEAERO C[C@@H](C(=O)N1CC[C@H]([NH+](C)C)C1)c1cccs1 ZINC000158684086 278196501 /nfs/dbraw/zinc/19/65/01/278196501.db2.gz WTLIRBNKHRZNSO-MNOVXSKESA-N 1 0 252.383 2.014 10 0 CEAERO CC(C)(C)C1CCC(CNC(=O)C2C[NH2+]C2)CC1 ZINC000263293830 278301054 /nfs/dbraw/zinc/30/10/54/278301054.db2.gz MBIRJZAHZCKBFR-UHFFFAOYSA-N 1 0 252.402 2.175 10 0 CEAERO C[C@@H]([NH3+])CC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000261861407 278305780 /nfs/dbraw/zinc/30/57/80/278305780.db2.gz OSYMRQAHGKFIJH-PWSUYJOCSA-N 1 0 262.353 2.142 10 0 CEAERO Cc1ccc2oc(C(=O)N3CCCC[C@H]3C[NH3+])cc2n1 ZINC000262541174 278905534 /nfs/dbraw/zinc/90/55/34/278905534.db2.gz GKFUFZSAAXVVJM-NSHDSACASA-N 1 0 273.336 2.090 10 0 CEAERO CCC[C@H]([NH3+])C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000037044182 278937367 /nfs/dbraw/zinc/93/73/67/278937367.db2.gz CBJCGRYFIBCDSC-RTBKNWGFSA-N 1 0 266.307 2.351 10 0 CEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000282129120 279027255 /nfs/dbraw/zinc/02/72/55/279027255.db2.gz BIBHQXMRJSAPDI-HERUPUMHSA-N 1 0 262.328 2.070 10 0 CEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000282232109 279028409 /nfs/dbraw/zinc/02/84/09/279028409.db2.gz FPEBXCWQQUVXCG-QPUJVOFHSA-N 1 0 270.735 2.236 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1CCCc2sccc21 ZINC000261592163 279085786 /nfs/dbraw/zinc/08/57/86/279085786.db2.gz YJSXWLYASYIXLO-USWWRNFRSA-N 1 0 264.394 2.116 10 0 CEAERO Cc1nc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)sc1C ZINC000228551300 279094510 /nfs/dbraw/zinc/09/45/10/279094510.db2.gz BTPLUEPXJAYNOV-QJPTWQEYSA-N 1 0 251.399 2.324 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC[C@H]1C ZINC000174000145 279124116 /nfs/dbraw/zinc/12/41/16/279124116.db2.gz JSHOQOLFFDDGPL-CHWSQXEVSA-N 1 0 255.406 2.157 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000119712638 279128306 /nfs/dbraw/zinc/12/83/06/279128306.db2.gz XRJMSDSWIOCWHG-ZIAGYGMSSA-N 1 0 299.459 2.220 10 0 CEAERO C[C@H](C[NH3+])CNc1ccnc2cc(Br)cnc21 ZINC000135571105 279289967 /nfs/dbraw/zinc/28/99/67/279289967.db2.gz BNATVFWGZIPWCR-MRVPVSSYSA-N 1 0 295.184 2.399 10 0 CEAERO C[C@H]1CCN(c2nc(C(F)(F)F)ns2)[C@H](C[NH3+])C1 ZINC000261583125 279730207 /nfs/dbraw/zinc/73/02/07/279730207.db2.gz ROOIEZCPXKORPM-BQBZGAKWSA-N 1 0 280.319 2.121 10 0 CEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2scnc2C2CC2)C1 ZINC000245869866 280263284 /nfs/dbraw/zinc/26/32/84/280263284.db2.gz LXDWKAWRJLNWTP-CMPLNLGQSA-N 1 0 293.436 2.479 10 0 CEAERO Cc1ccc(OC[C@@H](O)C[N@@H+]2CCS[C@@H](C)C2)cc1 ZINC000246151587 280276839 /nfs/dbraw/zinc/27/68/39/280276839.db2.gz PJFJYYSAUTVKNF-KBPBESRZSA-N 1 0 281.421 2.172 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H](C)[C@H]2C)C1 ZINC000246477430 280296293 /nfs/dbraw/zinc/29/62/93/280296293.db2.gz VPSOIDRXHQLFLP-MCIONIFRSA-N 1 0 267.417 2.301 10 0 CEAERO CCC[N@H+](C[C@@H](O)COC(C)(C)C)C[C@@H]1CCCCO1 ZINC000246793861 280310031 /nfs/dbraw/zinc/31/00/31/280310031.db2.gz MLOKLZHEPNEGTO-CABCVRRESA-N 1 0 287.444 2.444 10 0 CEAERO Cc1cc(Br)cnc1N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000228163730 280311453 /nfs/dbraw/zinc/31/14/53/280311453.db2.gz FGYSMFMPJBZJLW-UWVGGRQHSA-N 1 0 284.201 2.326 10 0 CEAERO Cc1cc(C(=O)N2CCC[C@@H]2C[NH3+])cc(C)c1F ZINC000335145970 280326226 /nfs/dbraw/zinc/32/62/26/280326226.db2.gz MKMUVGCDQAREDI-GFCCVEGCSA-N 1 0 250.317 2.006 10 0 CEAERO CC[C@@H]1CN(Cc2ccncc2Cl)CC[N@@H+]1C[C@H](C)O ZINC000247461536 280330255 /nfs/dbraw/zinc/33/02/55/280330255.db2.gz ILDUQLRDDMLERY-GXTWGEPZSA-N 1 0 297.830 2.012 10 0 CEAERO CCCCOC[C@@H](O)C[N@H+](C)[C@H](C)c1ccccn1 ZINC000248662658 280358584 /nfs/dbraw/zinc/35/85/84/280358584.db2.gz YSOKKHIUPVHILN-KGLIPLIRSA-N 1 0 266.385 2.252 10 0 CEAERO CCc1cccc(CN2CC[N@H+](C[C@H](C)O)[C@H](C)C2)c1 ZINC000249298288 280392325 /nfs/dbraw/zinc/39/23/25/280392325.db2.gz NGXZBYYIYUJZTE-CABCVRRESA-N 1 0 276.424 2.136 10 0 CEAERO COC[C@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000249463505 280398475 /nfs/dbraw/zinc/39/84/75/280398475.db2.gz GBWDECYQWMKVFV-OLZOCXBDSA-N 1 0 286.416 2.258 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CC[C@H]1CC[C@@H](C)O1 ZINC000253550677 280456512 /nfs/dbraw/zinc/45/65/12/280456512.db2.gz WCILARVLOHDUJG-RBSFLKMASA-N 1 0 284.444 2.427 10 0 CEAERO Brc1cncc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261596229 280529832 /nfs/dbraw/zinc/52/98/32/280529832.db2.gz YQRQIIGQEVJDOE-CABZTGNLSA-N 1 0 282.185 2.032 10 0 CEAERO CC(C)COc1cccc(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)c1 ZINC000423643166 281073833 /nfs/dbraw/zinc/07/38/33/281073833.db2.gz MFNMFLBGAMTPCK-SWLSCSKDSA-N 1 0 276.380 2.283 10 0 CEAERO Cc1ccccc1OCCCC(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000423658026 281076006 /nfs/dbraw/zinc/07/60/06/281076006.db2.gz CRUZDLPNOIZOLF-KGLIPLIRSA-N 1 0 276.380 2.102 10 0 CEAERO C[C@@H]1CN(C(=O)CSCc2ccc(Cl)cc2)C[C@H]1[NH3+] ZINC000423946674 281107900 /nfs/dbraw/zinc/10/79/00/281107900.db2.gz IVCPPZRGSIBZAX-ZWNOBZJWSA-N 1 0 298.839 2.379 10 0 CEAERO CC1(C)CN(C(=O)NC2CCC(F)(F)CC2)CC[C@H]1[NH3+] ZINC000334925983 281168723 /nfs/dbraw/zinc/16/87/23/281168723.db2.gz PUCLTNOBKGNHHH-LLVKDONJSA-N 1 0 289.370 2.333 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(C)ccc1O ZINC000175437886 281191276 /nfs/dbraw/zinc/19/12/76/281191276.db2.gz AHWJRIDWFXOOCW-UONOGXRCSA-N 1 0 288.391 2.399 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCOC(C)(C)C ZINC000175040796 281194865 /nfs/dbraw/zinc/19/48/65/281194865.db2.gz VWQPENYBXAZKKZ-UONOGXRCSA-N 1 0 254.418 2.360 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CCOCC(F)(F)F ZINC000247415092 281199611 /nfs/dbraw/zinc/19/96/11/281199611.db2.gz ZVEAKFCDFIGSRG-RYUDHWBXSA-N 1 0 280.334 2.124 10 0 CEAERO CC1(C)C[NH+](C[C@@H]2CCCNC2=O)CC(C)(C)C1 ZINC000334540768 281243156 /nfs/dbraw/zinc/24/31/56/281243156.db2.gz KZQONWBBFNRJGK-LBPRGKRZSA-N 1 0 252.402 2.271 10 0 CEAERO Cc1cnn(C)c1C[NH2+][C@@H]1CCOc2ccccc21 ZINC000285420933 281685729 /nfs/dbraw/zinc/68/57/29/281685729.db2.gz JSDYNUKOSDDXHL-CYBMUJFWSA-N 1 0 257.337 2.342 10 0 CEAERO C[C@H](OC1CCCCCC1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000154433660 289145213 /nfs/dbraw/zinc/14/52/13/289145213.db2.gz JUBXWCZULQWZFA-KBPBESRZSA-N 1 0 282.428 2.277 10 0 CEAERO Cc1cc(C)c(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)o1 ZINC000155562328 289177438 /nfs/dbraw/zinc/17/74/38/289177438.db2.gz ZITBSXHISPCVLU-WCQYABFASA-N 1 0 264.369 2.355 10 0 CEAERO C[C@H](C[NH3+])C(=O)NC[C@H]1CCCC[C@H]1C(F)(F)F ZINC000262447562 289529532 /nfs/dbraw/zinc/52/95/32/289529532.db2.gz VNHKOQSKKDSJMK-OPRDCNLKSA-N 1 0 266.307 2.066 10 0 CEAERO Cc1ccnc(N2CC[C@H]([NH+](C)C)C2)c1Br ZINC000234251483 292778634 /nfs/dbraw/zinc/77/86/34/292778634.db2.gz FCYRGQPUWMDLNH-JTQLQIEISA-N 1 0 284.201 2.293 10 0 CEAERO Cc1nc2ccccc2nc1N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261830058 293484678 /nfs/dbraw/zinc/48/46/78/293484678.db2.gz UPQGOXRSMADXGT-OLZOCXBDSA-N 1 0 268.364 2.126 10 0 CEAERO COc1ccc(CN2CCC[C@@H]2C[NH3+])c(Cl)c1OC ZINC000131343685 295128844 /nfs/dbraw/zinc/12/88/44/295128844.db2.gz VKJJXPZYBQRZDH-LLVKDONJSA-N 1 0 284.787 2.280 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](C(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000097092081 295319766 /nfs/dbraw/zinc/31/97/66/295319766.db2.gz HXBAAOOCUCQFGK-GQWBEDRXSA-N 1 0 262.397 2.199 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)N[C@@H]3CCc4ccccc43)C[C@@H]12 ZINC000333868008 295320260 /nfs/dbraw/zinc/32/02/60/295320260.db2.gz BDYSJEXYEFCKRD-DTZQCDIJSA-N 1 0 285.391 2.053 10 0 CEAERO [NH3+][C@H]1CC[C@@H](C(=O)NCC23CC4CC(CC(C4)C2)C3)C1 ZINC000091544708 295340766 /nfs/dbraw/zinc/34/07/66/295340766.db2.gz NNKLVQZKMUMHOL-JQOLXWHASA-N 1 0 276.424 2.446 10 0 CEAERO O=C(CC[C@H]1CCC[NH2+]1)N1CCC[C@@H]1c1cccnc1 ZINC000261715047 295480432 /nfs/dbraw/zinc/48/04/32/295480432.db2.gz JUKVVOLSDLRZNL-HUUCEWRRSA-N 1 0 273.380 2.277 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CSC(C)(C)C ZINC000113232469 297092844 /nfs/dbraw/zinc/09/28/44/297092844.db2.gz NQSLEYGLFSFFJM-VXGBXAGGSA-N 1 0 270.442 2.213 10 0 CEAERO C[C@H](C(=O)NC1CCC(C)CC1)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261910068 298142799 /nfs/dbraw/zinc/14/27/99/298142799.db2.gz XMRZZEJTNKBDLW-HXSCFSKGSA-N 1 0 295.471 2.129 10 0 CEAERO Cc1c(C(=O)N[C@H](CC(C)C)C[NH+](C)C)cnn1C(C)C ZINC000092342610 300942826 /nfs/dbraw/zinc/94/28/26/300942826.db2.gz BCGAZRSAIVPWGB-CQSZACIVSA-N 1 0 294.443 2.479 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1CC(=O)NCCSC(F)(F)F ZINC000261557275 303452691 /nfs/dbraw/zinc/45/26/91/303452691.db2.gz CMMKUPSGFGIEAJ-DTWKUNHWSA-N 1 0 284.347 2.263 10 0 CEAERO Cc1ccc(CN(C)C(=O)C[C@H]2CCC[NH2+]C2)s1 ZINC000568235484 313940042 /nfs/dbraw/zinc/94/00/42/313940042.db2.gz PTOTXEGTKFSBFC-GFCCVEGCSA-N 1 0 266.410 2.405 10 0 CEAERO CCS(=O)(=O)c1ccccc1NCCC[NH2+]C(C)C ZINC000574262823 314202146 /nfs/dbraw/zinc/20/21/46/314202146.db2.gz CPXCFOFYEZELSQ-UHFFFAOYSA-N 1 0 284.425 2.280 10 0 CEAERO [NH3+]CC[C@@H](Nc1cncc(Br)c1)C(F)F ZINC000383427561 321847835 /nfs/dbraw/zinc/84/78/35/321847835.db2.gz BVJMBKUZCRZLJP-MRVPVSSYSA-N 1 0 280.116 2.239 10 0 CEAERO COc1cccc(Cl)c1CNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000384275026 321851065 /nfs/dbraw/zinc/85/10/65/321851065.db2.gz SSCXEQOTJAYDRN-WDEREUQCSA-N 1 0 296.798 2.353 10 0 CEAERO CC(C)[C@]1(C)C[C@H]1[NH2+]C[C@H](O)COCc1ccco1 ZINC000397202036 329344249 /nfs/dbraw/zinc/34/42/49/329344249.db2.gz WNEMIEUBLIHCJK-CFVMTHIKSA-N 1 0 267.369 2.181 10 0 CEAERO CC(C)Cn1nccc1[C@@H](C[NH3+])C1(CO)CCCC1 ZINC000536952446 330382570 /nfs/dbraw/zinc/38/25/70/330382570.db2.gz DITDZDRSENJTRS-CYBMUJFWSA-N 1 0 265.401 2.134 10 0 CEAERO COC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(F)F ZINC000399771085 333249091 /nfs/dbraw/zinc/24/90/91/333249091.db2.gz ZRQLHUBZNNNCEJ-RYUDHWBXSA-N 1 0 269.291 2.173 10 0 CEAERO CC(=O)c1sc(N(C)C2CC[NH+](C)CC2)nc1C ZINC000054861374 518496466 /nfs/dbraw/zinc/49/64/66/518496466.db2.gz XCSXYPOCXDMOOE-UHFFFAOYSA-N 1 0 267.398 2.185 10 0 CEAERO CCCNC(=O)[C@@H](C)[NH2+]Cc1ccc(CC)s1 ZINC000049203945 519888624 /nfs/dbraw/zinc/88/86/24/519888624.db2.gz MFPPQOFLLJGTQG-SNVBAGLBSA-N 1 0 254.399 2.315 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N(C)Cc1ccccc1OC ZINC000061297001 519903472 /nfs/dbraw/zinc/90/34/72/519903472.db2.gz ULJHLNZDFMJCHL-UHFFFAOYSA-N 1 0 264.369 2.042 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N[C@H](C)Cc1ccsc1 ZINC000061299048 519906019 /nfs/dbraw/zinc/90/60/19/519906019.db2.gz DHLGWBOOVPUVHS-SNVBAGLBSA-N 1 0 254.399 2.183 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000061291111 519906481 /nfs/dbraw/zinc/90/64/81/519906481.db2.gz QSXBLHHOQYIONK-UHFFFAOYSA-N 1 0 284.743 2.395 10 0 CEAERO CC[NH2+]CCC(=O)N(C)Cc1nc2ccccc2s1 ZINC000061294302 519915219 /nfs/dbraw/zinc/91/52/19/519915219.db2.gz GYSHRRGMYHRISW-UHFFFAOYSA-N 1 0 277.393 2.254 10 0 CEAERO CC[NH2+]CC1(CN(CC(F)(F)F)C2CC2)CCOCC1 ZINC000052182258 519912866 /nfs/dbraw/zinc/91/28/66/519912866.db2.gz NKKDCJDEIVGDAH-UHFFFAOYSA-N 1 0 294.361 2.419 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000061233021 519937346 /nfs/dbraw/zinc/93/73/46/519937346.db2.gz XCYILTSEAVTEFZ-DOMZBBRYSA-N 1 0 260.381 2.500 10 0 CEAERO CCCN[C@@H](CC[N@H+](C)CC1CCCCC1)C(=O)OC ZINC000062526737 519996071 /nfs/dbraw/zinc/99/60/71/519996071.db2.gz VTNATVTXAKZCNX-HNNXBMFYSA-N 1 0 284.444 2.430 10 0 CEAERO CC[NH2+]Cc1nccn1Cc1ccc(F)cc1F ZINC000051004825 520023855 /nfs/dbraw/zinc/02/38/55/520023855.db2.gz RDYIIRQDZGDBMH-UHFFFAOYSA-N 1 0 251.280 2.319 10 0 CEAERO CCCN[C@@](C[N@H+](CC)CC(CC)CC)(C(N)=O)C1CC1 ZINC000069132120 520050340 /nfs/dbraw/zinc/05/03/40/520050340.db2.gz UXNANEKKXTWPIB-QGZVFWFLSA-N 1 0 297.487 2.378 10 0 CEAERO CCC[NH2+][C@@](C)(C[C@H](C)Oc1ccc(F)cc1)C(N)=O ZINC000068656486 520046115 /nfs/dbraw/zinc/04/61/15/520046115.db2.gz OUAADLNYSGIRGB-NHYWBVRUSA-N 1 0 282.359 2.227 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N[C@@H](C)CCc1ccco1 ZINC000061273648 520065180 /nfs/dbraw/zinc/06/51/80/520065180.db2.gz LJUNSEBWJQMNQE-RYUDHWBXSA-N 1 0 252.358 2.105 10 0 CEAERO CCN[C@@H](CC[N@H+](CC)C1CCCCC1)C(=O)OC ZINC000062439151 520085973 /nfs/dbraw/zinc/08/59/73/520085973.db2.gz JGKIFKCLDVXWJO-AWEZNQCLSA-N 1 0 270.417 2.182 10 0 CEAERO CCC[NH2+][C@](C)(C[C@H](C)Oc1ccc(C)cc1)C(N)=O ZINC000068653557 520114134 /nfs/dbraw/zinc/11/41/34/520114134.db2.gz FCVHHJJSERNOLA-XJKSGUPXSA-N 1 0 278.396 2.396 10 0 CEAERO CC[NH2+][C@@H]1COc2cc(OC[C@H]3CCCO3)ccc21 ZINC000062804721 520123585 /nfs/dbraw/zinc/12/35/85/520123585.db2.gz IMWGLHAULYAXCZ-TZMCWYRMSA-N 1 0 263.337 2.287 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000061273563 520167112 /nfs/dbraw/zinc/16/71/12/520167112.db2.gz PBSDHUNZASGRCI-MNOVXSKESA-N 1 0 252.333 2.391 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1ccc(OC)cc1C ZINC000061568098 520169583 /nfs/dbraw/zinc/16/95/83/520169583.db2.gz ZTIMEAIIQSQKIO-LLVKDONJSA-N 1 0 250.342 2.330 10 0 CEAERO CCCCOCCOC[C@@H](O)C[NH2+][C@H](CC)CCC ZINC000050403787 520788441 /nfs/dbraw/zinc/78/84/41/520788441.db2.gz FUYWBYRERDTPMJ-CABCVRRESA-N 1 0 275.433 2.349 10 0 CEAERO CCCCOCCn1nc(C)c(C[C@@H](C)[NH3+])c1C ZINC000054741145 520796407 /nfs/dbraw/zinc/79/64/07/520796407.db2.gz AWWXWTNFGADUBX-LLVKDONJSA-N 1 0 253.390 2.206 10 0 CEAERO CCCC[C@H](C)NS(=O)(=O)c1ccc(C[NH2+]C)cc1 ZINC000050890219 521151306 /nfs/dbraw/zinc/15/13/06/521151306.db2.gz NCGFCNOYQZTDCV-LBPRGKRZSA-N 1 0 284.425 2.263 10 0 CEAERO CC[N@H+](CCn1cc(N)cn1)Cc1cccs1 ZINC000050614797 521183316 /nfs/dbraw/zinc/18/33/16/521183316.db2.gz YJGBSAGRDOPVGM-UHFFFAOYSA-N 1 0 250.371 2.049 10 0 CEAERO CCOC(=O)[C@H](C)Oc1ccc(C[C@H]([NH3+])CC)cc1 ZINC000049955372 521216383 /nfs/dbraw/zinc/21/63/83/521216383.db2.gz FQXIEUBTJRADPO-WCQYABFASA-N 1 0 265.353 2.297 10 0 CEAERO CCOC(=O)[C@H](CC[NH+]1CCC(CC)CC1)NC1CC1 ZINC000062526344 521244314 /nfs/dbraw/zinc/24/43/14/521244314.db2.gz LNLBUYSNUVCVCQ-HNNXBMFYSA-N 1 0 282.428 2.182 10 0 CEAERO CCOC(=O)c1ccc(N(C)CC[C@@H]([NH3+])C(C)C)nc1 ZINC000156792793 521478507 /nfs/dbraw/zinc/47/85/07/521478507.db2.gz YIAFUVIZIOMXLR-CYBMUJFWSA-N 1 0 279.384 2.068 10 0 CEAERO CCCc1nc(N2CCOC(C)(C)C2)sc1C[NH2+]C ZINC000054997858 521532385 /nfs/dbraw/zinc/53/23/85/521532385.db2.gz IEWABXMQKKGOPS-UHFFFAOYSA-N 1 0 283.441 2.430 10 0 CEAERO CCCc1nc(N2CCCSCC2)sc1C[NH3+] ZINC000055002177 521533118 /nfs/dbraw/zinc/53/31/18/521533118.db2.gz CUSFZLMEZIRCQC-UHFFFAOYSA-N 1 0 271.455 2.498 10 0 CEAERO CCC[N@H+](CCO)C[C@@H]1C[C@H](C(C)C)CCC1=O ZINC000054559183 521667529 /nfs/dbraw/zinc/66/75/29/521667529.db2.gz JOYCOVIAQAPSRO-KGLIPLIRSA-N 1 0 255.402 2.332 10 0 CEAERO CCC[N@H+](CC[C@H](NC(C)C)C(=O)OCC)CC1CC1 ZINC000062459990 521670136 /nfs/dbraw/zinc/67/01/36/521670136.db2.gz ORRQQOJSDYQWIL-HNNXBMFYSA-N 1 0 284.444 2.428 10 0 CEAERO CCNC(=O)[C@@H](C)Oc1cc(F)ccc1[C@H](C)[NH2+]CC ZINC000062747028 521744007 /nfs/dbraw/zinc/74/40/07/521744007.db2.gz QLQKCXONWDSHEG-WDEREUQCSA-N 1 0 282.359 2.400 10 0 CEAERO CC[C@@H](C)C[N@H+](C)C[C@](NC1CC1)(C(=O)OC)C1CC1 ZINC000069098502 521970403 /nfs/dbraw/zinc/97/04/03/521970403.db2.gz CUKNFMPPCYSESZ-MLGOLLRUSA-N 1 0 282.428 2.038 10 0 CEAERO C[NH2+]CC[C@@H]1CCCCN1C(=O)c1cc(Cl)cn1C ZINC000070192121 522016977 /nfs/dbraw/zinc/01/69/77/522016977.db2.gz ALEUEGYIEPJOJC-LBPRGKRZSA-N 1 0 283.803 2.283 10 0 CEAERO C[NH2+]C[C@H](O)CSc1cccc(Br)c1 ZINC000055308004 522075544 /nfs/dbraw/zinc/07/55/44/522075544.db2.gz PAQHRTXBHVYLMG-VIFPVBQESA-N 1 0 276.199 2.122 10 0 CEAERO C[NH2+]Cc1ccc(CN2CCO[C@@H]3CCCC[C@@H]32)o1 ZINC000052573099 522118416 /nfs/dbraw/zinc/11/84/16/522118416.db2.gz DREQMONZSBGKHQ-LSDHHAIUSA-N 1 0 264.369 2.142 10 0 CEAERO CC[C@H]([NH3+])c1c(C)nn(C[C@@H]2CCCCO2)c1C ZINC000054716665 522345448 /nfs/dbraw/zinc/34/54/48/522345448.db2.gz YTUCBFDVIQREFX-STQMWFEESA-N 1 0 251.374 2.479 10 0 CEAERO CCc1nc(N(C)Cc2cscn2)sc1C[NH3+] ZINC000054998553 522381245 /nfs/dbraw/zinc/38/12/45/522381245.db2.gz ZCYDRLKWBSPKKG-UHFFFAOYSA-N 1 0 268.411 2.257 10 0 CEAERO C[NH2+][C@H](CC[NH+]1CCC2(CCCCC2)CC1)C(=O)[O-] ZINC000062532852 522459181 /nfs/dbraw/zinc/45/91/81/522459181.db2.gz FBAJZWVZALTXEM-CYBMUJFWSA-N 1 0 268.401 2.095 10 0 CEAERO C[NH2+][C@H](CCOc1cc(C)ccc1C(C)(C)C)C(N)=O ZINC000062542352 522462009 /nfs/dbraw/zinc/46/20/09/522462009.db2.gz JQIVCVWFQVECBW-CYBMUJFWSA-N 1 0 278.396 2.135 10 0 CEAERO COc1cc(Cl)c(OC)c2ccc(C[NH3+])nc12 ZINC000062624695 522530956 /nfs/dbraw/zinc/53/09/56/522530956.db2.gz LYVBZOIQBMQFQH-UHFFFAOYSA-N 1 0 252.701 2.364 10 0 CEAERO Cc1cc(C)n(CCCC[C@](C)(CO)[NH2+]C(C)C)n1 ZINC000085263551 518186945 /nfs/dbraw/zinc/18/69/45/518186945.db2.gz JTGXLMOMVQCUNM-OAHLLOKOSA-N 1 0 267.417 2.419 10 0 CEAERO CC(C)(C)[NH+]1CCN(CCOc2cccc(N)c2)CC1 ZINC000048926383 518710043 /nfs/dbraw/zinc/71/00/43/518710043.db2.gz NPSAOSNYNRQHOW-UHFFFAOYSA-N 1 0 277.412 2.064 10 0 CEAERO CC(C)(C)[NH2+]C[C@](C)(O)c1ccc2c(c1)OCCCO2 ZINC000055033305 518763261 /nfs/dbraw/zinc/76/32/61/518763261.db2.gz ATCDANZNULTHRI-INIZCTEOSA-N 1 0 279.380 2.444 10 0 CEAERO CC(C)(C)[NH2+]Cc1ccc(O[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000062728835 518763820 /nfs/dbraw/zinc/76/38/20/518763820.db2.gz XPMMYPQLKHXDLS-CQSZACIVSA-N 1 0 297.420 2.141 10 0 CEAERO CC(C)(C)[NH2+]Cc1cccc(O[C@H]2CCS(=O)(=O)C2)c1 ZINC000062731386 518766124 /nfs/dbraw/zinc/76/61/24/518766124.db2.gz GBTGOQBWFVSGSP-AWEZNQCLSA-N 1 0 297.420 2.141 10 0 CEAERO CC(C)(C)n1ccnc(Oc2ccc(CC[NH3+])cc2)c1=O ZINC000061770651 519169275 /nfs/dbraw/zinc/16/92/75/519169275.db2.gz IAEDSJDOVGPBEU-UHFFFAOYSA-N 1 0 287.363 2.292 10 0 CEAERO CC(C)C[C@@H]([NH2+][C@H]1CCO[C@H](C(C)C)C1)C(=O)N(C)C ZINC000070349039 519252723 /nfs/dbraw/zinc/25/27/23/519252723.db2.gz CVRYNVRKUQZHOU-ZNMIVQPWSA-N 1 0 284.444 2.283 10 0 CEAERO CC(C)N(C(=O)[C@H](C)[NH2+][C@@H](CO)c1ccccc1)C(C)C ZINC000182903895 519573559 /nfs/dbraw/zinc/57/35/59/519573559.db2.gz NYSLRISDPPCSBA-HOCLYGCPSA-N 1 0 292.423 2.344 10 0 CEAERO CC(C)N(CC(F)(F)F)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000055089514 519638443 /nfs/dbraw/zinc/63/84/43/519638443.db2.gz IEOALPURGSVBNM-NXEZZACHSA-N 1 0 266.307 2.303 10 0 CEAERO CC(C)N(Cc1ccnc(C[NH3+])c1)CC(F)(F)F ZINC000068750313 519662964 /nfs/dbraw/zinc/66/29/64/519662964.db2.gz AHMXAHNULHHWME-UHFFFAOYSA-N 1 0 261.291 2.313 10 0 CEAERO CC(C)C[NH+](CC(C)C)C[C@](NC(C)C)(C(N)=O)C1CC1 ZINC000069100876 519713379 /nfs/dbraw/zinc/71/33/79/519713379.db2.gz FJITZDXUPVMRPI-QGZVFWFLSA-N 1 0 297.487 2.233 10 0 CEAERO CC(C)CN(CC[NH2+]C1CCOCC1)CC(C)C ZINC000062767754 519717337 /nfs/dbraw/zinc/71/73/37/519717337.db2.gz FVHAIZACHDXBJY-UHFFFAOYSA-N 1 0 256.434 2.369 10 0 CEAERO CC(C)CN1C(=O)CC[C@@H]([NH3+])[C@H]1c1ccsc1 ZINC000070292735 519719424 /nfs/dbraw/zinc/71/94/24/519719424.db2.gz VPQZCLIKKYUYEK-DGCLKSJQSA-N 1 0 252.383 2.395 10 0 CEAERO CC(C)CN1C(=O)CC[C@H]([NH3+])[C@@H]1c1ccc2c(c1)CCO2 ZINC000070292682 519719517 /nfs/dbraw/zinc/71/95/17/519719517.db2.gz NALWIZVLKJNKQJ-YOEHRIQHSA-N 1 0 288.391 2.268 10 0 CEAERO CC(C)[NH2+]CCCS(=O)(=O)Nc1ccc(F)c(F)c1 ZINC000049641486 519720974 /nfs/dbraw/zinc/72/09/74/519720974.db2.gz ZLCHIQXXIPOKRP-UHFFFAOYSA-N 1 0 292.351 2.095 10 0 CEAERO CC(C)[NH2+]C[C@H](C)N1CCN(c2ccc(F)cc2)CC1 ZINC000052418178 519724641 /nfs/dbraw/zinc/72/46/41/519724641.db2.gz DHXNGGRDZFFQMF-AWEZNQCLSA-N 1 0 279.403 2.334 10 0 CEAERO CC(C)[NH2+]C[C@H]1CC[C@@H](COCc2ccco2)O1 ZINC000052602007 519725805 /nfs/dbraw/zinc/72/58/05/519725805.db2.gz FBLGNJUYAPUYFL-OCCSQVGLSA-N 1 0 253.342 2.342 10 0 CEAERO CC(C)[NH2+]Cc1nnnn1[C@@H](C)c1ccc(Cl)cc1 ZINC000054747659 519729655 /nfs/dbraw/zinc/72/96/55/519729655.db2.gz SEHSNVGYIUWTDN-JTQLQIEISA-N 1 0 279.775 2.434 10 0 CEAERO CC(C)[NH2+][C@@H](CC[N@H+](C)C1CCC(C)CC1)C(=O)[O-] ZINC000062525125 519734336 /nfs/dbraw/zinc/73/43/36/519734336.db2.gz ULLBBFIDWVZLEX-RUXDESIVSA-N 1 0 270.417 2.338 10 0 CEAERO CC(C)[NH2+][C@@H](CC[N@@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000062461001 519734511 /nfs/dbraw/zinc/73/45/11/519734511.db2.gz HKFWBQYDSLQXQB-LSDHHAIUSA-N 1 0 282.428 2.482 10 0 CEAERO CC(C)N[C@@](C)(C[NH+]1CCC2(CCCCC2)CC1)C(N)=O ZINC000061821800 519735926 /nfs/dbraw/zinc/73/59/26/519735926.db2.gz VOTIINBBBZNKLH-INIZCTEOSA-N 1 0 295.471 2.275 10 0 CEAERO CC(C)N[C@@](C[N@H+](C)C1CCCCCC1)(C(N)=O)C1CC1 ZINC000069100548 519737042 /nfs/dbraw/zinc/73/70/42/519737042.db2.gz UDFUUXWBGLHQLR-QGZVFWFLSA-N 1 0 295.471 2.273 10 0 CEAERO CC(C)[NH2+][C@@](CSc1ccccc1)(C(N)=O)C1CC1 ZINC000069185527 519737749 /nfs/dbraw/zinc/73/77/49/519737749.db2.gz HQDQHOLWRVEEIX-OAHLLOKOSA-N 1 0 278.421 2.411 10 0 CEAERO CC(C)C[NH2+]Cc1cc(Cl)ccc1OCCO ZINC000062730895 519746725 /nfs/dbraw/zinc/74/67/25/519746725.db2.gz NXWPQWYNSPJNDL-UHFFFAOYSA-N 1 0 257.761 2.457 10 0 CEAERO CC(C)C[NH2+]Cc1cc(F)ccc1N(C)C[C@H](C)O ZINC000062738131 519746686 /nfs/dbraw/zinc/74/66/86/519746686.db2.gz CHVHJQQVJNCBRZ-LBPRGKRZSA-N 1 0 268.376 2.388 10 0 CEAERO CC(C)C[NH2+]Cc1c(Cl)cccc1N(C)CC(N)=O ZINC000062735625 519746823 /nfs/dbraw/zinc/74/68/23/519746823.db2.gz WUVACPSPWPCTCL-UHFFFAOYSA-N 1 0 283.803 2.007 10 0 CEAERO CC(C)C[NH2+]Cc1cnc(Cc2ccncc2)nc1 ZINC000054856668 519748541 /nfs/dbraw/zinc/74/85/41/519748541.db2.gz RTOXGFWZJYGUFQ-UHFFFAOYSA-N 1 0 256.353 2.208 10 0 CEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccccc1O ZINC000049560311 519775743 /nfs/dbraw/zinc/77/57/43/519775743.db2.gz CWGTVLHNJDVRMF-LBPRGKRZSA-N 1 0 264.369 2.098 10 0 CEAERO CC(C)Oc1ccc([C@H]([NH3+])Cn2ccc(=O)cc2)cc1 ZINC000061627924 519781979 /nfs/dbraw/zinc/78/19/79/519781979.db2.gz JWHOOOAFCDVEKG-MRXNPFEDSA-N 1 0 272.348 2.336 10 0 CEAERO CC(C)[C@@H]([NH2+]C[C@H]1CN(C)CCN1C)c1cccs1 ZINC000068802624 519799138 /nfs/dbraw/zinc/79/91/38/519799138.db2.gz BNADLJDSOZRPGB-DZGCQCFKSA-N 1 0 281.469 2.281 10 0 CEAERO CC(C)[C@H](CN(C)C)[NH2+][C@@H]1CC(=O)N(C)c2ccccc21 ZINC000049199207 519814749 /nfs/dbraw/zinc/81/47/49/519814749.db2.gz IOOJREFOWQUMFN-CABCVRRESA-N 1 0 289.423 2.270 10 0 CEAERO CC(C)[C@H](CNC(=O)C1CCC1)[NH+]1CCCCC1 ZINC000049736506 519815291 /nfs/dbraw/zinc/81/52/91/519815291.db2.gz YTJIHRWGCHTCBD-AWEZNQCLSA-N 1 0 252.402 2.413 10 0 CEAERO CC(C)[C@H]1CN(CCOCC(F)(F)F)[C@H](C2CC2)C[NH2+]1 ZINC000068703500 519826965 /nfs/dbraw/zinc/82/69/65/519826965.db2.gz IKFWQRMJVKYSNM-OLZOCXBDSA-N 1 0 294.361 2.274 10 0 CEAERO CCC1CCC(NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)CC1 ZINC000049121788 519855696 /nfs/dbraw/zinc/85/56/96/519855696.db2.gz SCWNAUDJGMUZDD-PXCJXSSVSA-N 1 0 290.407 2.347 10 0 CEAERO CCC1CCC(NS(=O)(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000049120981 519856939 /nfs/dbraw/zinc/85/69/39/519856939.db2.gz JUYLEJHLRMAJAH-UHFFFAOYSA-N 1 0 296.436 2.392 10 0 CEAERO CCC1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000055134718 519858394 /nfs/dbraw/zinc/85/83/94/519858394.db2.gz KKOOZBUPJZVUOQ-IACUBPJLSA-N 1 0 252.402 2.399 10 0 CEAERO CCC1CCN(C(=O)[C@H]2C[C@H]([NH3+])CC[C@@H]2C)CC1 ZINC000055134692 519858480 /nfs/dbraw/zinc/85/84/80/519858480.db2.gz JSUOYWJXGROBQG-YUTCNCBUSA-N 1 0 252.402 2.399 10 0 CEAERO CCC[NH+]1CCN(Cc2ccnc(NCC)c2)CC1 ZINC000052709708 519859328 /nfs/dbraw/zinc/85/93/28/519859328.db2.gz WQGKIXUXNJMZKK-UHFFFAOYSA-N 1 0 262.401 2.041 10 0 CEAERO CCCN1CCO[C@H](C[NH2+]C)[C@@H]1c1cccs1 ZINC000070288316 519861157 /nfs/dbraw/zinc/86/11/57/519861157.db2.gz GQJSCTZAFQIFBS-DGCLKSJQSA-N 1 0 254.399 2.119 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)N1CCC[C@H]1CCCO ZINC000052763266 519885135 /nfs/dbraw/zinc/88/51/35/519885135.db2.gz UQCRHJYHSRGUSY-AWEZNQCLSA-N 1 0 284.444 2.295 10 0 CEAERO CCCC1(C(=O)Nc2ncccc2C)CC[NH2+]CC1 ZINC000062847915 519888616 /nfs/dbraw/zinc/88/86/16/519888616.db2.gz KSLYYNRAEVNTCM-UHFFFAOYSA-N 1 0 261.369 2.498 10 0 CEAERO CC(C)C1N=NC(=S)N1[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000049569243 519890938 /nfs/dbraw/zinc/89/09/38/519890938.db2.gz DIWDURUUVWDALS-MNOVXSKESA-N 1 0 266.414 2.490 10 0 CEAERO CCOCCC[NH2+]C[C@@H](C)Oc1ccc(OC)cc1 ZINC000053567253 519896598 /nfs/dbraw/zinc/89/65/98/519896598.db2.gz RZBLATCGLJUPHH-CYBMUJFWSA-N 1 0 267.369 2.479 10 0 CEAERO CCCC1CC[NH+](C[C@](NC(C)C)(C(N)=O)C2CC2)CC1 ZINC000069231682 519902246 /nfs/dbraw/zinc/90/22/46/519902246.db2.gz MWNIOFDWWLAUAC-QGZVFWFLSA-N 1 0 295.471 2.131 10 0 CEAERO CCCNC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]CC)c1 ZINC000061270265 519903320 /nfs/dbraw/zinc/90/33/20/519903320.db2.gz OAKQXCLKPLGASO-LBPRGKRZSA-N 1 0 291.395 2.153 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N(C)Cc1cccc(OC)c1 ZINC000061293917 519903254 /nfs/dbraw/zinc/90/32/54/519903254.db2.gz XKUFNKAHEOUEOK-UHFFFAOYSA-N 1 0 264.369 2.042 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N(C)Cc1ccccc1OCC ZINC000061296344 519903518 /nfs/dbraw/zinc/90/35/18/519903518.db2.gz HKWIDECJAXIJLX-UHFFFAOYSA-N 1 0 278.396 2.432 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N(C)CCOc1ccccc1C ZINC000061294397 519903582 /nfs/dbraw/zinc/90/35/82/519903582.db2.gz JYXFFWHTBYKYDZ-UHFFFAOYSA-N 1 0 278.396 2.220 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N(CCOC)Cc1cccs1 ZINC000061294479 519903849 /nfs/dbraw/zinc/90/38/49/519903849.db2.gz WAFTZGBBDKXGMS-UHFFFAOYSA-N 1 0 284.425 2.111 10 0 CEAERO CCC[NH2+]C1CCN(Cc2cnc(C)s2)CC1 ZINC000049533890 519906719 /nfs/dbraw/zinc/90/67/19/519906719.db2.gz SAUUJTOHZZLZFV-UHFFFAOYSA-N 1 0 253.415 2.416 10 0 CEAERO CC[NH2+]C(C)(C)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000061149772 519909202 /nfs/dbraw/zinc/90/92/02/519909202.db2.gz MNGBSWDHOLTDLS-UHFFFAOYSA-N 1 0 261.325 2.179 10 0 CEAERO CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1cnc(C)cn1 ZINC000061322755 519910193 /nfs/dbraw/zinc/91/01/93/519910193.db2.gz KLJVWRRTKIOGBC-VHRNVKJDSA-N 1 0 274.412 2.280 10 0 CEAERO CCC[NH2+]CCN(C)c1ncnc2sccc21 ZINC000053691976 519914222 /nfs/dbraw/zinc/91/42/22/519914222.db2.gz GPLXXPKONKRSJA-UHFFFAOYSA-N 1 0 250.371 2.127 10 0 CEAERO CC[NH2+]CCC(=O)N[C@H](CC)c1ccc(OC)cc1 ZINC000061292027 519917101 /nfs/dbraw/zinc/91/71/01/519917101.db2.gz CELFWEDAOXAKFT-CQSZACIVSA-N 1 0 264.369 2.262 10 0 CEAERO CC[NH2+]CCC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000061292943 519918199 /nfs/dbraw/zinc/91/81/99/519918199.db2.gz JNGNVMMSYQSNIM-UHFFFAOYSA-N 1 0 261.369 2.225 10 0 CEAERO CC[NH2+]CCC(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000061292580 519918218 /nfs/dbraw/zinc/91/82/18/519918218.db2.gz IJRCSNFMQQYUGM-UHFFFAOYSA-N 1 0 258.325 2.015 10 0 CEAERO CCC[NH2+]CCc1c(C)nc(-c2ncccn2)nc1C ZINC000054853764 519919231 /nfs/dbraw/zinc/91/92/31/519919231.db2.gz WPXKEPZIGUAAAE-UHFFFAOYSA-N 1 0 271.368 2.093 10 0 CEAERO CCC[NH2+]CCn1nc(C)c(Br)c1C ZINC000050594627 519920205 /nfs/dbraw/zinc/92/02/05/519920205.db2.gz HZXSEEZTJORRQZ-UHFFFAOYSA-N 1 0 260.179 2.262 10 0 CEAERO CCC[NH2+]C[C@@H](C)COc1cccc(S(C)(=O)=O)c1 ZINC000052701472 519920238 /nfs/dbraw/zinc/92/02/38/519920238.db2.gz APUSBGLUGRTJNP-GFCCVEGCSA-N 1 0 285.409 2.105 10 0 CEAERO CC[NH2+]CCN(C)c1ncnc2sc(CC)cc21 ZINC000053705023 519920589 /nfs/dbraw/zinc/92/05/89/519920589.db2.gz GUYOKRGMKYSFBR-UHFFFAOYSA-N 1 0 264.398 2.299 10 0 CEAERO CCC[NH2+]C[C@@H](c1ccccc1)n1nc(C)nc1C ZINC000052574531 519922313 /nfs/dbraw/zinc/92/23/13/519922313.db2.gz IVFXAHPDFCQTIG-HNNXBMFYSA-N 1 0 258.369 2.484 10 0 CEAERO CCC[NH2+]C[C@@H]1CC[C@@H](Cn2cc(Cl)cn2)O1 ZINC000052577275 519924561 /nfs/dbraw/zinc/92/45/61/519924561.db2.gz AYTAFZALFAJZLO-RYUDHWBXSA-N 1 0 257.765 2.084 10 0 CEAERO CCC[NH2+]C[C@@]1(CCOCC(F)(F)F)CCOC1 ZINC000054664667 519929013 /nfs/dbraw/zinc/92/90/13/519929013.db2.gz CVPBUHPQJGUTFC-NSHDSACASA-N 1 0 269.307 2.362 10 0 CEAERO CCC[NH2+]C[C@@]1(CN2CCc3ccccc32)CCOC1 ZINC000051206714 519928707 /nfs/dbraw/zinc/92/87/07/519928707.db2.gz JFHYOOXGFZIZQV-QGZVFWFLSA-N 1 0 274.408 2.455 10 0 CEAERO CCC[NH2+]C[C@@](C)(O)c1ccc2c(c1)OCCCO2 ZINC000055032971 519930072 /nfs/dbraw/zinc/93/00/72/519930072.db2.gz NTOXLGKQZAQCGD-OAHLLOKOSA-N 1 0 265.353 2.055 10 0 CEAERO CCC[NH2+]C[C@H](CCS(C)(=O)=O)Cc1ccccc1 ZINC000052952860 519933650 /nfs/dbraw/zinc/93/36/50/519933650.db2.gz JXWRLMCXJTWZTQ-OAHLLOKOSA-N 1 0 283.437 2.280 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000061232858 519939163 /nfs/dbraw/zinc/93/91/63/519939163.db2.gz LIWYXHYQAIQHBQ-LLVKDONJSA-N 1 0 272.352 2.261 10 0 CEAERO CCC[NH2+]C[C@]1(CCS(C)(=O)=O)C[C@H]2CC[C@@H]1C2 ZINC000054639026 519940876 /nfs/dbraw/zinc/94/08/76/519940876.db2.gz PLKXXIQRYDEURA-MJBXVCDLSA-N 1 0 273.442 2.227 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1cccc(C(=O)OCC)c1 ZINC000061267462 519941306 /nfs/dbraw/zinc/94/13/06/519941306.db2.gz XEPTURHATBZDHN-LLVKDONJSA-N 1 0 278.352 2.047 10 0 CEAERO CCC[NH2+]Cc1c(C)nn([C@H]2CCC[C@H]2O)c1C ZINC000054599506 519941879 /nfs/dbraw/zinc/94/18/79/519941879.db2.gz RVQPDYKRPJADPA-UONOGXRCSA-N 1 0 251.374 2.085 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1cnc2ccccc2c1 ZINC000061231702 519942555 /nfs/dbraw/zinc/94/25/55/519942555.db2.gz JYELUHGCTZSCLY-LLVKDONJSA-N 1 0 257.337 2.419 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccccc1Cn1cccn1 ZINC000061231969 519943809 /nfs/dbraw/zinc/94/38/09/519943809.db2.gz GQMMUSDSZKRIBP-CYBMUJFWSA-N 1 0 286.379 2.116 10 0 CEAERO CC[NH2+]C[C@@H](OCCOC)c1ccc(OC)cc1 ZINC000050495539 519947271 /nfs/dbraw/zinc/94/72/71/519947271.db2.gz GOZDHSJYRAMFCU-CQSZACIVSA-N 1 0 253.342 2.009 10 0 CEAERO CC[NH2+]C[C@@H]1CC[C@H](CN(C)c2ccc(F)cc2)O1 ZINC000052540540 519953979 /nfs/dbraw/zinc/95/39/79/519953979.db2.gz BUANLLFBHYKHIT-LSDHHAIUSA-N 1 0 266.360 2.419 10 0 CEAERO CCC[NH2+]Cc1cccc(CN2CCOC[C@@H]2C)c1 ZINC000052475775 519954798 /nfs/dbraw/zinc/95/47/98/519954798.db2.gz NEOLHLNFNXTISC-AWEZNQCLSA-N 1 0 262.397 2.407 10 0 CEAERO CC[NH2+]C[C@@H]1CC[C@H](Cn2nc(C)c(CC)c2C)O1 ZINC000052592177 519955303 /nfs/dbraw/zinc/95/53/03/519955303.db2.gz MECVBBLZLJKFRY-UONOGXRCSA-N 1 0 265.401 2.219 10 0 CEAERO CCC[NH2+]Cc1cccnc1N1CCCO[C@@H](C)C1 ZINC000061935169 519957046 /nfs/dbraw/zinc/95/70/46/519957046.db2.gz FJXWBFYYEQFAIP-ZDUSSCGKSA-N 1 0 263.385 2.196 10 0 CEAERO CC[NH2+]C[C@@]1(Cc2ccc(OC)c(F)c2)CCOC1 ZINC000054664045 519957697 /nfs/dbraw/zinc/95/76/97/519957697.db2.gz OEQQUYYJKWGSJB-HNNXBMFYSA-N 1 0 267.344 2.393 10 0 CEAERO CCC[NH2+]Cc1ccnc(N2C[C@H](C)OC[C@@H]2C)c1 ZINC000051444300 519959496 /nfs/dbraw/zinc/95/94/96/519959496.db2.gz DOTHGCRPYLWWKR-STQMWFEESA-N 1 0 263.385 2.195 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N(C)Cc1ccccc1F ZINC000061229905 519959514 /nfs/dbraw/zinc/95/95/14/519959514.db2.gz BOXXZELSRGNSIH-NSHDSACASA-N 1 0 252.333 2.030 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1nc(CC)c(C)s1 ZINC000061267718 519969401 /nfs/dbraw/zinc/96/94/01/519969401.db2.gz RMVGULUKEGXTMK-QMMMGPOBSA-N 1 0 255.387 2.198 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccccc1OCC ZINC000061227324 519970466 /nfs/dbraw/zinc/97/04/66/519970466.db2.gz HLMWRMWGFUFSKA-NSHDSACASA-N 1 0 250.342 2.269 10 0 CEAERO CC[NH2+]C[C@H]1CCN(CCc2ccccc2F)C1 ZINC000053012071 519975755 /nfs/dbraw/zinc/97/57/55/519975755.db2.gz SPBISZULNNCHSP-CYBMUJFWSA-N 1 0 250.361 2.300 10 0 CEAERO CC[NH2+]Cc1cc(CN(CC(F)(F)F)C2CC2)on1 ZINC000052503544 519986683 /nfs/dbraw/zinc/98/66/83/519986683.db2.gz UJYPAQZCLHMKGU-UHFFFAOYSA-N 1 0 277.290 2.311 10 0 CEAERO CC[NH2+]Cc1ccc(O[C@H](C)C(=O)OC)c(OCC)c1 ZINC000049850698 520001048 /nfs/dbraw/zinc/00/10/48/520001048.db2.gz ASGPRYOJJKNHLJ-LLVKDONJSA-N 1 0 281.352 2.135 10 0 CEAERO CC[NH2+]Cc1ccoc1CN1C[C@@H](C)OC[C@@H]1CC ZINC000052570880 520013724 /nfs/dbraw/zinc/01/37/24/520013724.db2.gz PAJKNDUADIEDEW-OCCSQVGLSA-N 1 0 266.385 2.388 10 0 CEAERO CCC[NH2+][C@@H]1c2ccccc2CCC[C@@H]1S(C)(=O)=O ZINC000054930494 520028384 /nfs/dbraw/zinc/02/83/84/520028384.db2.gz ANDOLBPEKNIJNJ-LSDHHAIUSA-N 1 0 281.421 2.477 10 0 CEAERO CC[NH2+]Cc1sc(N2C[C@H](C)OC[C@@H]2C)nc1CC ZINC000054997280 520035350 /nfs/dbraw/zinc/03/53/50/520035350.db2.gz CDBUXULTZZNFOE-QWRGUYRKSA-N 1 0 283.441 2.429 10 0 CEAERO CCCN[C@@](C)(C[NH+]1CCC(CC)(CC)CC1)C(N)=O ZINC000062956364 520036651 /nfs/dbraw/zinc/03/66/51/520036651.db2.gz NLXVZVNKYIMDAG-HNNXBMFYSA-N 1 0 283.460 2.132 10 0 CEAERO CCN(C(=O)[C@H]1CCC[NH2+]C1)c1ccccc1F ZINC000050013379 520048998 /nfs/dbraw/zinc/04/89/98/520048998.db2.gz PIKXUZUJVVRKHI-NSHDSACASA-N 1 0 250.317 2.178 10 0 CEAERO CCC[NH2+][C@@](CO[C@H](C)CC(C)C)(C(N)=O)C1CC1 ZINC000069196497 520055924 /nfs/dbraw/zinc/05/59/24/520055924.db2.gz XGEZOTPPPPUHDD-IUODEOHRSA-N 1 0 270.417 2.071 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N[C@@H](C)Cc1ccsc1 ZINC000061274154 520065122 /nfs/dbraw/zinc/06/51/22/520065122.db2.gz IACAYOQSTNVCQE-QWRGUYRKSA-N 1 0 254.399 2.183 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000061270326 520069481 /nfs/dbraw/zinc/06/94/81/520069481.db2.gz DLFMYEDNPHTGEM-LBPRGKRZSA-N 1 0 289.379 2.140 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000061271649 520071011 /nfs/dbraw/zinc/07/10/11/520071011.db2.gz LRWYDXYKUCLVSJ-ZDUSSCGKSA-N 1 0 286.379 2.258 10 0 CEAERO CC[NH2+][C@@H](C)Cc1nc2ccccc2n1CCOC ZINC000061182017 520072730 /nfs/dbraw/zinc/07/27/30/520072730.db2.gz MROSYQBIPCMPMZ-LBPRGKRZSA-N 1 0 261.369 2.223 10 0 CEAERO CC[NH2+][C@@H](C)c1ccccc1OCCCC(=O)NC ZINC000068816328 520078504 /nfs/dbraw/zinc/07/85/04/520078504.db2.gz XKYYLJSKKWLMRW-LBPRGKRZSA-N 1 0 264.369 2.262 10 0 CEAERO CC[NH2+][C@@H](C)c1nnc(-c2cc(OC)cc(OC)c2)o1 ZINC000050618675 520079572 /nfs/dbraw/zinc/07/95/72/520079572.db2.gz BCUFHKCQXABJRC-VIFPVBQESA-N 1 0 277.324 2.424 10 0 CEAERO CC[NH2+][C@@H](C)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000062365947 520079623 /nfs/dbraw/zinc/07/96/23/520079623.db2.gz RSFIIIAFRZRWDU-VIFPVBQESA-N 1 0 261.325 2.395 10 0 CEAERO CC[NH2+][C@@H](C)c1cnc(Cc2cccnc2)nc1C ZINC000054963018 520079770 /nfs/dbraw/zinc/07/97/70/520079770.db2.gz IMQSCROPWRBJHR-NSHDSACASA-N 1 0 256.353 2.441 10 0 CEAERO CCC[NH2+][C@H](CS(C)(=O)=O)c1cccc2cnccc21 ZINC000061124490 520085028 /nfs/dbraw/zinc/08/50/28/520085028.db2.gz LDIXXJGDBNLANL-OAHLLOKOSA-N 1 0 292.404 2.320 10 0 CEAERO CCN[C@@H](CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)OC ZINC000062451555 520088568 /nfs/dbraw/zinc/08/85/68/520088568.db2.gz ZOSYFCAFPGEVOV-ZNMIVQPWSA-N 1 0 282.428 2.040 10 0 CEAERO CC[NH2+][C@@H](CC[N@@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000062460985 520088744 /nfs/dbraw/zinc/08/87/44/520088744.db2.gz MTXVGNYKRQEYSA-UONOGXRCSA-N 1 0 268.401 2.094 10 0 CEAERO CC[NH2+][C@@H](Cc1ccc(OC)c(OC)c1)c1cnccn1 ZINC000069499692 520104550 /nfs/dbraw/zinc/10/45/50/520104550.db2.gz IZJHLRUGSLMWAJ-ZDUSSCGKSA-N 1 0 287.363 2.387 10 0 CEAERO CC[NH2+][C@@H](Cc1cnn(C)c1)Cc1cccc(C)c1 ZINC000050543222 520106558 /nfs/dbraw/zinc/10/65/58/520106558.db2.gz XLOJTWMFJWDSCK-MRXNPFEDSA-N 1 0 257.381 2.492 10 0 CEAERO CC[NH2+][C@@H](c1cc(F)ccc1F)[C@@H]1COCCO1 ZINC000055299992 520108010 /nfs/dbraw/zinc/10/80/10/520108010.db2.gz QKNZBDBWQCOIBE-STQMWFEESA-N 1 0 257.280 2.031 10 0 CEAERO CC[NH2+][C@@H](c1ccc(OC)c(OC)c1)c1cncnc1 ZINC000052886925 520109544 /nfs/dbraw/zinc/10/95/44/520109544.db2.gz GOIOXOZAYVNKFT-HNNXBMFYSA-N 1 0 273.336 2.193 10 0 CEAERO CC[NH2+][C@@H](c1ccc2c(c1)CCC2)[C@@H]1COCCO1 ZINC000055300131 520111345 /nfs/dbraw/zinc/11/13/45/520111345.db2.gz NPMAJUXLFGNDJI-HOTGVXAUSA-N 1 0 261.365 2.241 10 0 CEAERO CCC[NH2+][C@](C)(C[C@@H](C)Oc1cccc(C)c1)C(N)=O ZINC000068656286 520112646 /nfs/dbraw/zinc/11/26/46/520112646.db2.gz NGBNNWFVPFLFRG-CZUORRHYSA-N 1 0 278.396 2.396 10 0 CEAERO CCCN[C@](C)(C[C@H](C)[NH+]1CCC(C)(C)CC1)C(N)=O ZINC000068643206 520113771 /nfs/dbraw/zinc/11/37/71/520113771.db2.gz QLZMMVAWAANBQI-XJKSGUPXSA-N 1 0 283.460 2.131 10 0 CEAERO CC[NH2+][C@@H]1CCc2c1cccc2O[C@@H](C)C(=O)N(C)C ZINC000062799698 520121706 /nfs/dbraw/zinc/12/17/06/520121706.db2.gz VEEQHKTWCKDSLL-SMDDNHRTSA-N 1 0 276.380 2.139 10 0 CEAERO CC[NH2+][C@@](C)(CCCCN(C)c1ccccc1F)C(N)=O ZINC000050008127 520130313 /nfs/dbraw/zinc/13/03/13/520130313.db2.gz VRUXGLVZJUJNHG-INIZCTEOSA-N 1 0 295.402 2.286 10 0 CEAERO CCN[C@@](C)(C[C@@H](C)[N@@H+]1CCCC(C)(C)C1)C(=O)OC ZINC000068647814 520140523 /nfs/dbraw/zinc/14/05/23/520140523.db2.gz USVDOIFTUFBNNC-CJNGLKHVSA-N 1 0 284.444 2.428 10 0 CEAERO CCN[C@@](C)(C[C@H](C)[N@H+](C)[C@@H](C)C1CC1)C(=O)OCC ZINC000068625513 520144788 /nfs/dbraw/zinc/14/47/88/520144788.db2.gz QQTGPDMVKUSPLP-XEZPLFJOSA-N 1 0 284.444 2.427 10 0 CEAERO CC[NH2+][C@@](C)(C[C@H](C)Oc1cccc(OCC)c1)C(N)=O ZINC000068658308 520146552 /nfs/dbraw/zinc/14/65/52/520146552.db2.gz ISDMGADESMWQIB-LRDDRELGSA-N 1 0 294.395 2.096 10 0 CEAERO CCCCC[N@H+](C)CC[C@@H](NCCC)C(=O)OCC ZINC000062447450 520149492 /nfs/dbraw/zinc/14/94/92/520149492.db2.gz VUJSPDWLICWCAX-CQSZACIVSA-N 1 0 272.433 2.430 10 0 CEAERO CC[NH2+][C@@](CN(CC)c1cccc(C)c1)(C(N)=O)C1CC1 ZINC000069100767 520151050 /nfs/dbraw/zinc/15/10/50/520151050.db2.gz DFCDMBUDWBTNDT-QGZVFWFLSA-N 1 0 289.423 2.065 10 0 CEAERO CCCNc1ccc(C(=O)N[C@H]2CCC[N@H+](CC)C2)cn1 ZINC000050777689 520151323 /nfs/dbraw/zinc/15/13/23/520151323.db2.gz FJYZHZLVDPHDQD-AWEZNQCLSA-N 1 0 290.411 2.118 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)NCCc1cccc(Cl)c1 ZINC000061273785 520165508 /nfs/dbraw/zinc/16/55/08/520165508.db2.gz NBDBMCDHTCAJGX-LLVKDONJSA-N 1 0 268.788 2.387 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N[C@@H](C)COc1ccc(C)cc1 ZINC000061273453 520166793 /nfs/dbraw/zinc/16/67/93/520166793.db2.gz PLNJDJOMDMGFMZ-KGLIPLIRSA-N 1 0 278.396 2.267 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1cc(C(=O)NC)ccc1Cl ZINC000061270896 520168917 /nfs/dbraw/zinc/16/89/17/520168917.db2.gz KDGUYDWXVIIWNY-SECBINFHSA-N 1 0 297.786 2.026 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1cccc(-c2n[nH]c(C)n2)c1 ZINC000061271619 520170409 /nfs/dbraw/zinc/17/04/09/520170409.db2.gz NAUZDXNSRDYLPM-SNVBAGLBSA-N 1 0 287.367 2.107 10 0 CEAERO CCCCC[N@H+](C[C@@](NC1CC1)(C(N)=O)C1CC1)C(C)C ZINC000069132324 520173833 /nfs/dbraw/zinc/17/38/33/520173833.db2.gz VGMUCFIEJSYWIH-KRWDZBQOSA-N 1 0 295.471 2.273 10 0 CEAERO CCCNc1cccc(C(=O)N[C@H](C)C[NH+](CC)CC)n1 ZINC000051071828 520173898 /nfs/dbraw/zinc/17/38/98/520173898.db2.gz OTEUZTGBCKPHIA-CYBMUJFWSA-N 1 0 292.427 2.364 10 0 CEAERO CC[NH2+][C@H](C)c1cccc(NC(=O)N2CCC[C@@H]2CO)c1 ZINC000048866262 520179389 /nfs/dbraw/zinc/17/93/89/520179389.db2.gz KQLUHUOLBPYPGP-IUODEOHRSA-N 1 0 291.395 2.346 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(O[C@@H](CC)C(N)=O)c(OC)c1 ZINC000061675822 520180109 /nfs/dbraw/zinc/18/01/09/520180109.db2.gz ZQLJGNIQPWMKAV-PWSUYJOCSA-N 1 0 280.368 2.008 10 0 CEAERO CC[NH2+][C@H](C)c1cnc(N2CCOC[C@@H]2C)s1 ZINC000054903560 520181502 /nfs/dbraw/zinc/18/15/02/520181502.db2.gz KEKTZIZPCNZDNU-VHSXEESVSA-N 1 0 255.387 2.039 10 0 CEAERO CCN[C@H](CC[N@H+](C)CC1CCCCC1)C(=O)OC ZINC000062526733 520185165 /nfs/dbraw/zinc/18/51/65/520185165.db2.gz CMXSLVHCPAZIQV-CQSZACIVSA-N 1 0 270.417 2.040 10 0 CEAERO CC[NH2+][C@H](COc1ccc(-c2ccccc2)cc1)C(N)=O ZINC000045472833 520198583 /nfs/dbraw/zinc/19/85/83/520198583.db2.gz GSRJKQCCQJCWDI-MRXNPFEDSA-N 1 0 284.359 2.196 10 0 CEAERO CC[NH2+][C@H](c1ccc(C)cc1)C(C)(C)S(C)(=O)=O ZINC000070128766 520208636 /nfs/dbraw/zinc/20/86/36/520208636.db2.gz JRLGCOVOSOQZGU-CYBMUJFWSA-N 1 0 269.410 2.469 10 0 CEAERO CC[NH2+][C@H]1CCN(C[C@@H]2Cc3ccccc3O2)C[C@@H]1C ZINC000051086818 520215726 /nfs/dbraw/zinc/21/57/26/520215726.db2.gz YNRBVXAIRDKNRN-BPUTZDHNSA-N 1 0 274.408 2.310 10 0 CEAERO CC[NH2+][C@H]1COc2cc(O[C@H](C)C(=O)NC(C)C)ccc21 ZINC000062804848 520221785 /nfs/dbraw/zinc/22/17/85/520221785.db2.gz IVCXPPOILIHSJE-RISCZKNCSA-N 1 0 292.379 2.022 10 0 CEAERO CC[NH2+][C@H]1COc2cc(OCC(=O)N[C@@H](C)CC)ccc21 ZINC000062804932 520222047 /nfs/dbraw/zinc/22/20/47/520222047.db2.gz APJZQMAZNUKHMD-FZMZJTMJSA-N 1 0 292.379 2.023 10 0 CEAERO CCN(C)CC[NH2+]C[C@@H](O)c1ccc(CC(C)C)cc1 ZINC000054112122 520236621 /nfs/dbraw/zinc/23/66/21/520236621.db2.gz JASSVWMYABJMGY-QGZVFWFLSA-N 1 0 278.440 2.460 10 0 CEAERO CCN[C@](C)(C[C@H](C)[NH+]1CCC(C)(C)CC1)C(=O)OC ZINC000068643239 520240078 /nfs/dbraw/zinc/24/00/78/520240078.db2.gz FMHUMNVCQVBTCB-XJKSGUPXSA-N 1 0 284.444 2.428 10 0 CEAERO CC[NH2+][C@](C)(C[C@H](C)Oc1ccc(C)cc1OC)C(N)=O ZINC000068657125 520241363 /nfs/dbraw/zinc/24/13/63/520241363.db2.gz UMZZEHJUVXKWTE-BLLLJJGKSA-N 1 0 294.395 2.015 10 0 CEAERO CCN[C@](C[N@H+](CC(C)C)C(C)C)(C(=O)OC)C1CC1 ZINC000069147083 520244247 /nfs/dbraw/zinc/24/42/47/520244247.db2.gz LWAYUFMFFOWNMU-INIZCTEOSA-N 1 0 284.444 2.284 10 0 CEAERO CC[NH2+][C@](CN(CC)c1cccc(C)c1)(C(N)=O)C1CC1 ZINC000069100766 520246935 /nfs/dbraw/zinc/24/69/35/520246935.db2.gz DFCDMBUDWBTNDT-KRWDZBQOSA-N 1 0 289.423 2.065 10 0 CEAERO CC[NH2+][C@](CO[C@@H](C)CC(C)C)(C(N)=O)c1ccccc1 ZINC000045503902 520249586 /nfs/dbraw/zinc/24/95/86/520249586.db2.gz LBJZWLTVOCRDTH-YOEHRIQHSA-N 1 0 292.423 2.428 10 0 CEAERO CC[NH2+][C@](COc1cccc(C(C)C)c1)(C(N)=O)C1CC1 ZINC000069197042 520251349 /nfs/dbraw/zinc/25/13/49/520251349.db2.gz VVCNKNJATKXQCD-KRWDZBQOSA-N 1 0 290.407 2.432 10 0 CEAERO CCNc1ccc(C(=O)NCC[NH+]2CCCCC2)cc1 ZINC000050777288 520287078 /nfs/dbraw/zinc/28/70/78/520287078.db2.gz WNMIREAHEZJURU-UHFFFAOYSA-N 1 0 275.396 2.334 10 0 CEAERO CCNc1ccc(C[N@@H+]2CCC[C@H](C(=O)OCC)C2)cn1 ZINC000050791767 520301096 /nfs/dbraw/zinc/30/10/96/520301096.db2.gz QVOFJHQQVLSRRH-AWEZNQCLSA-N 1 0 291.395 2.289 10 0 CEAERO CCNc1ccc(C[N@@H+]2CCC[C@@H](C(=O)OCC)C2)cn1 ZINC000050791768 520302116 /nfs/dbraw/zinc/30/21/16/520302116.db2.gz QVOFJHQQVLSRRH-CQSZACIVSA-N 1 0 291.395 2.289 10 0 CEAERO CCO[C@@H](C[NH3+])CCN(C)c1ccc(C)cc1C ZINC000062741221 520308020 /nfs/dbraw/zinc/30/80/20/520308020.db2.gz BOAAFFGTYQDGJV-CQSZACIVSA-N 1 0 250.386 2.494 10 0 CEAERO CCO[C@@H](C[NH3+])CN(C)Cc1ccc(Cl)s1 ZINC000062739700 520309704 /nfs/dbraw/zinc/30/97/04/520309704.db2.gz ISPIVTLEAPVFLV-VIFPVBQESA-N 1 0 262.806 2.197 10 0 CEAERO CCNc1cccc(C(=O)N(CC[NH+](C)C)CC(C)C)n1 ZINC000051071256 520332444 /nfs/dbraw/zinc/33/24/44/520332444.db2.gz GLBBGUOKEGMJHI-UHFFFAOYSA-N 1 0 292.427 2.173 10 0 CEAERO CCCOc1ccc(CC[NH3+])c(OC[C@@H]2CCOC2)c1 ZINC000049689786 520346195 /nfs/dbraw/zinc/34/61/95/520346195.db2.gz JQOZJSIKRWMCAW-CYBMUJFWSA-N 1 0 279.380 2.392 10 0 CEAERO CCNc1nc2ccccc2cc1CN1CC[NH+](C)CC1 ZINC000050792321 520360554 /nfs/dbraw/zinc/36/05/54/520360554.db2.gz ANHOGVKWKUWZGH-UHFFFAOYSA-N 1 0 284.407 2.414 10 0 CEAERO CC1(C)CC[NH+](Cc2ccnc(C(N)=S)c2)CC1 ZINC000068752834 520381377 /nfs/dbraw/zinc/38/13/77/520381377.db2.gz HOZGABIFHCCSAE-UHFFFAOYSA-N 1 0 263.410 2.338 10 0 CEAERO CCCOc1ccc(OC[C@@H]2CC[C@H](C[NH3+])O2)cc1 ZINC000052695271 520409676 /nfs/dbraw/zinc/40/96/76/520409676.db2.gz MRQDWTLMDJPYNZ-CABCVRRESA-N 1 0 265.353 2.361 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]Cc2cc[nH]c2)C12CCOCC2 ZINC000185655163 520428191 /nfs/dbraw/zinc/42/81/91/520428191.db2.gz YQUKKGPNOBFLRK-UONOGXRCSA-N 1 0 264.369 2.079 10 0 CEAERO CCN(CC)C(=O)C[C@@H](C[NH3+])c1ccccc1F ZINC000057539079 520496154 /nfs/dbraw/zinc/49/61/54/520496154.db2.gz KYIUGNQUGOZDQQ-NSHDSACASA-N 1 0 252.333 2.127 10 0 CEAERO CC1(C)COCCN1[C@H](C[NH3+])c1cccc2cccnc21 ZINC000069502607 520507903 /nfs/dbraw/zinc/50/79/03/520507903.db2.gz KTNKJWPABPOIPU-OAHLLOKOSA-N 1 0 285.391 2.345 10 0 CEAERO CCO[C@H](C[NH3+])COc1ccc(C(F)(F)F)cc1 ZINC000062740375 520517829 /nfs/dbraw/zinc/51/78/29/520517829.db2.gz XKNQVJAGKWRYGD-LLVKDONJSA-N 1 0 263.259 2.448 10 0 CEAERO CCO[C@H](C[NH3+])COc1cccc(C(F)(F)F)c1 ZINC000062740321 520520228 /nfs/dbraw/zinc/52/02/28/520520228.db2.gz NKMQCKUKDUKOFS-LLVKDONJSA-N 1 0 263.259 2.448 10 0 CEAERO CCCC[N@H+](CC[C@H](NCCC)C(=O)OC)C1CC1 ZINC000062459307 520538345 /nfs/dbraw/zinc/53/83/45/520538345.db2.gz PQDXXKBVNBLNQZ-AWEZNQCLSA-N 1 0 270.417 2.182 10 0 CEAERO CC[NH+](CC)CCCNc1[nH+]c2c(cc1C(=O)[O-])CCC2 ZINC000054527407 520625430 /nfs/dbraw/zinc/62/54/30/520625430.db2.gz DKGRKLIZXJAPGY-UHFFFAOYSA-N 1 0 291.395 2.412 10 0 CEAERO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(NN)cc1 ZINC000051092245 520629489 /nfs/dbraw/zinc/62/94/89/520629489.db2.gz UQJBZGCPSDHQKI-CYBMUJFWSA-N 1 0 292.427 2.213 10 0 CEAERO CCC[C@@H](C[NH2+]C)[C@H]1CS(=O)(=O)c2ccccc21 ZINC000052969128 520707596 /nfs/dbraw/zinc/70/75/96/520707596.db2.gz ZSSPPHUYOBIZGQ-WCQYABFASA-N 1 0 267.394 2.193 10 0 CEAERO CCOC(=O)CC[C@H]([NH3+])Cc1cnn(-c2ccccc2)c1 ZINC000069606067 520713606 /nfs/dbraw/zinc/71/36/06/520713606.db2.gz XNGAYIBALIFLAE-AWEZNQCLSA-N 1 0 287.363 2.085 10 0 CEAERO CC[NH+](CC)C[C@H](C)NC(=O)c1cc(F)c(NC)c(F)c1 ZINC000063006571 520734240 /nfs/dbraw/zinc/73/42/40/520734240.db2.gz ZAAAQTXRYJVCSE-JTQLQIEISA-N 1 0 299.365 2.467 10 0 CEAERO CCCCOCCn1cc(C[NH2+]CC(C)C)cn1 ZINC000054720414 520796303 /nfs/dbraw/zinc/79/63/03/520796303.db2.gz HBPFPXMFLPVZQW-UHFFFAOYSA-N 1 0 253.390 2.445 10 0 CEAERO CCOC(=O)COc1ccc(C[NH2+]CC(C)C)cc1OC ZINC000062731880 520804164 /nfs/dbraw/zinc/80/41/64/520804164.db2.gz YYOISJOTGDMOJN-UHFFFAOYSA-N 1 0 295.379 2.383 10 0 CEAERO CCOc1ccc(C(=O)N[C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000063211256 520913227 /nfs/dbraw/zinc/91/32/27/520913227.db2.gz IXOYXFBCHDNTNV-HUUCEWRRSA-N 1 0 276.380 2.475 10 0 CEAERO CC1CCC([N@H+](CC(N)=O)Cc2cccc(N)c2)CC1 ZINC000068606643 520936797 /nfs/dbraw/zinc/93/67/97/520936797.db2.gz DONITFIQBAOOGO-UHFFFAOYSA-N 1 0 275.396 2.135 10 0 CEAERO CC1CCC(OCCn2cc(C[NH2+]C3CC3)nn2)CC1 ZINC000052619286 520962118 /nfs/dbraw/zinc/96/21/18/520962118.db2.gz CDJXIJOIGCHMCT-UHFFFAOYSA-N 1 0 278.400 2.125 10 0 CEAERO CCC[C@H](C(=O)NC1Cc2ccccc2C1)[NH+](C)C ZINC000183588870 520977208 /nfs/dbraw/zinc/97/72/08/520977208.db2.gz NQGUGUCWQKZZQJ-OAHLLOKOSA-N 1 0 260.381 2.000 10 0 CEAERO CCCC[C@@H](C)NS(=O)(=O)c1ccc(C[NH2+]C)cc1 ZINC000050890218 521009104 /nfs/dbraw/zinc/00/91/04/521009104.db2.gz NCGFCNOYQZTDCV-GFCCVEGCSA-N 1 0 284.425 2.263 10 0 CEAERO CCN(CCC[NH3+])C(=O)c1cccc2cccnc21 ZINC000061410276 521010844 /nfs/dbraw/zinc/01/08/44/521010844.db2.gz PQHVMDYMWGSOOE-UHFFFAOYSA-N 1 0 257.337 2.046 10 0 CEAERO CCN(CC[NH2+]C1CCOCC1)Cc1ccccc1 ZINC000062767646 521075532 /nfs/dbraw/zinc/07/55/32/521075532.db2.gz NLXSKYSTBDVJQB-UHFFFAOYSA-N 1 0 262.397 2.277 10 0 CEAERO 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2.108 10 0 CEAERO CCNC(=O)c1cc(N[C@H](C)C[NH+]2CCCCC2)ccn1 ZINC000049502116 521747203 /nfs/dbraw/zinc/74/72/03/521747203.db2.gz PPDBTLMZXNKIIQ-CYBMUJFWSA-N 1 0 290.411 2.118 10 0 CEAERO COCC[C@@H]([NH3+])C(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC000052792083 521823782 /nfs/dbraw/zinc/82/37/82/521823782.db2.gz XSQTVOPGVGNZSP-KGLIPLIRSA-N 1 0 282.359 2.003 10 0 CEAERO C[NH+](C)C[C@@H](NC(=O)c1ccccn1)c1ccccc1 ZINC000052554797 521824336 /nfs/dbraw/zinc/82/43/36/521824336.db2.gz MLIBWAUWRODTJC-OAHLLOKOSA-N 1 0 269.348 2.114 10 0 CEAERO C[NH+](C)C[C@@H](NC(=O)c1ccc(F)nc1)c1ccccc1 ZINC000070083912 521824492 /nfs/dbraw/zinc/82/44/92/521824492.db2.gz CWKWFMYUABGILX-CQSZACIVSA-N 1 0 287.338 2.253 10 0 CEAERO COCC[C@@H]([NH3+])C(=O)Nc1cc(Cl)cc2cccnc21 ZINC000052791834 521825468 /nfs/dbraw/zinc/82/54/68/521825468.db2.gz RWLVYNQEUCCLJS-LLVKDONJSA-N 1 0 293.754 2.191 10 0 CEAERO COCC[C@@H]([NH3+])Cc1cc(Br)ccc1F ZINC000053832758 521830975 /nfs/dbraw/zinc/83/09/75/521830975.db2.gz JTXSOOFOENTIAW-SNVBAGLBSA-N 1 0 276.149 2.495 10 0 CEAERO CCc1ccccc1C[C@H](C[NH3+])C(=O)NC(C)(C)C ZINC000052200805 521846151 /nfs/dbraw/zinc/84/61/51/521846151.db2.gz DHCVTZKCJUNAPQ-CQSZACIVSA-N 1 0 262.397 2.281 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1CC(=O)c1ccccc1F ZINC000061645639 521865501 /nfs/dbraw/zinc/86/55/01/521865501.db2.gz WTNWSDXJRVFGRM-GFCCVEGCSA-N 1 0 264.344 2.034 10 0 CEAERO CCc1ccccc1[C@@H](NCC[NH+](CC)CC)C(=O)OC ZINC000052204423 521932589 /nfs/dbraw/zinc/93/25/89/521932589.db2.gz VBAYDKXRRGLSML-MRXNPFEDSA-N 1 0 292.423 2.395 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000061300362 521933525 /nfs/dbraw/zinc/93/35/25/521933525.db2.gz FDJRWCVVRNEFAQ-UHFFFAOYSA-N 1 0 274.408 2.466 10 0 CEAERO C[NH2+]C(C)(C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000061300065 521934662 /nfs/dbraw/zinc/93/46/62/521934662.db2.gz VCNQTLVWLGATOT-UHFFFAOYSA-N 1 0 250.386 2.069 10 0 CEAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000061300069 521943752 /nfs/dbraw/zinc/94/37/52/521943752.db2.gz SPNBSUJDIXKZFY-UHFFFAOYSA-N 1 0 256.733 2.285 10 0 CEAERO C[NH2+]CCCc1nnc(-c2cc(C)ccc2OC)o1 ZINC000052944065 522000538 /nfs/dbraw/zinc/00/05/38/522000538.db2.gz GUFHUIRRVPFKJE-UHFFFAOYSA-N 1 0 261.325 2.206 10 0 CEAERO C[NH2+]CCCc1nnc(-c2cc(F)ccc2F)o1 ZINC000050616701 522000660 /nfs/dbraw/zinc/00/06/60/522000660.db2.gz BXXOYLNXGSHUFL-UHFFFAOYSA-N 1 0 253.252 2.167 10 0 CEAERO C[NH2+]CCN(C)[C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000070303279 522007231 /nfs/dbraw/zinc/00/72/31/522007231.db2.gz UYTDHVICTKHJBC-LBPRGKRZSA-N 1 0 264.369 2.060 10 0 CEAERO C[NH2+]C[C@@H](CCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000052950211 522033948 /nfs/dbraw/zinc/03/39/48/522033948.db2.gz TZVLCTFBACXPOG-HZPDHXFCSA-N 1 0 295.448 2.280 10 0 CEAERO C[NH2+]C[C@@H](Cc1cc(C)ccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000052950092 522034308 /nfs/dbraw/zinc/03/43/08/522034308.db2.gz SHFWKYOIWKGPRX-GOEBONIOSA-N 1 0 295.448 2.116 10 0 CEAERO C[NH2+]C[C@@H]1C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000054588692 522061649 /nfs/dbraw/zinc/06/16/49/522061649.db2.gz NHUKAAIFABLYIS-WDEREUQCSA-N 1 0 251.326 2.035 10 0 CEAERO C[NH2+]C[C@H]1CC[C@H](COc2cc(F)cc(F)c2)O1 ZINC000054934616 522096275 /nfs/dbraw/zinc/09/62/75/522096275.db2.gz IZIDMLMTFIPFHT-VXGBXAGGSA-N 1 0 257.280 2.111 10 0 CEAERO C[NH2+]C[C@H]1CC[C@@H](COc2ccc3c(c2)CCC3)O1 ZINC000052693536 522096517 /nfs/dbraw/zinc/09/65/17/522096517.db2.gz FYVKTMGFCSEJKP-CVEARBPZSA-N 1 0 261.365 2.321 10 0 CEAERO CC[C@@H](C)N1C(=O)C[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1=O ZINC000049504035 522106890 /nfs/dbraw/zinc/10/68/90/522106890.db2.gz TVZQGIFGLSYTOZ-UHIISALHSA-N 1 0 292.354 2.402 10 0 CEAERO C[NH2+]Cc1ccc(Cn2nnc(-c3ccccc3)n2)cc1 ZINC000052574685 522116072 /nfs/dbraw/zinc/11/60/72/522116072.db2.gz JGWCPZJFMGZCMY-UHFFFAOYSA-N 1 0 279.347 2.108 10 0 CEAERO CC[C@@H](C)N1CC[NH+](C[C@H]2CCCCC[C@@H]2O)CC1 ZINC000055073123 522123131 /nfs/dbraw/zinc/12/31/31/522123131.db2.gz PDLLACUNWDWSST-OAGGEKHMSA-N 1 0 268.445 2.344 10 0 CEAERO CC[C@H](CC[NH3+])NC(=O)c1cccc2ncccc21 ZINC000061410660 522128834 /nfs/dbraw/zinc/12/88/34/522128834.db2.gz WAYIBFILNOAEQM-LLVKDONJSA-N 1 0 257.337 2.092 10 0 CEAERO C[NH2+]Cc1nccn1Cc1ccccc1Br ZINC000051004554 522153835 /nfs/dbraw/zinc/15/38/35/522153835.db2.gz HQPRYBAACSJMKO-UHFFFAOYSA-N 1 0 280.169 2.413 10 0 CEAERO C[NH2+]Cc1nnc(-c2ccc(F)cc2Br)o1 ZINC000050615310 522155120 /nfs/dbraw/zinc/15/51/20/522155120.db2.gz BBKXIXBWQNMBJZ-UHFFFAOYSA-N 1 0 286.104 2.358 10 0 CEAERO C[NH2+]Cc1sc(N2CCSC[C@H]2C)nc1C ZINC000069762159 522168594 /nfs/dbraw/zinc/16/85/94/522168594.db2.gz DFTFZJMEQMZVLY-MRVPVSSYSA-N 1 0 257.428 2.113 10 0 CEAERO CC[C@H](C[NH2+]CC(C)C)Oc1cccc(S(C)(=O)=O)c1 ZINC000052701457 522194768 /nfs/dbraw/zinc/19/47/68/522194768.db2.gz QDYRANFIISDEKI-CYBMUJFWSA-N 1 0 299.436 2.493 10 0 CEAERO CC[C@@H](C)[NH2+]C[C@@H](C)n1nnc(-c2ccccc2)n1 ZINC000053500270 522228951 /nfs/dbraw/zinc/22/89/51/522228951.db2.gz FPVFHCALGSWKIE-VXGBXAGGSA-N 1 0 259.357 2.289 10 0 CEAERO COC(=O)c1ccccc1NC(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050942635 522270661 /nfs/dbraw/zinc/27/06/61/522270661.db2.gz PNDWINIEMWHWSF-GFCCVEGCSA-N 1 0 290.363 2.334 10 0 CEAERO COc1cc(C)ccc1OCc1ccnc(C(N)=[NH2+])c1 ZINC000068762277 522281135 /nfs/dbraw/zinc/28/11/35/522281135.db2.gz FMHOEFXUQKQDRQ-UHFFFAOYSA-N 1 0 271.320 2.262 10 0 CEAERO CC[C@H]([NH3+])Cc1c(C)nn(CC2CCOCC2)c1C ZINC000054741257 522330932 /nfs/dbraw/zinc/33/09/32/522330932.db2.gz OOZCPSWMEYDKAY-AWEZNQCLSA-N 1 0 265.401 2.206 10 0 CEAERO C[NH2+][C@@H](C)c1cnn(Cc2cc(F)ccc2F)c1 ZINC000054721005 522336137 /nfs/dbraw/zinc/33/61/37/522336137.db2.gz ZICRFPJCHARUHT-VIFPVBQESA-N 1 0 251.280 2.490 10 0 CEAERO C[NH2+][C@@H](C)c1cnn(Cc2ncc(C)c(OC)c2C)c1 ZINC000054720825 522338774 /nfs/dbraw/zinc/33/87/74/522338774.db2.gz ZFRQKCPMBXXPET-LBPRGKRZSA-N 1 0 274.368 2.232 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1nnc(C)o1)c1ccccn1 ZINC000051038014 522338977 /nfs/dbraw/zinc/33/89/77/522338977.db2.gz YVJLQUBYGPNIGU-GXSJLCMTSA-N 1 0 264.354 2.344 10 0 CEAERO COc1cc(C[NH3+])cc(OC)c1OCCc1cccnc1 ZINC000063221678 522363123 /nfs/dbraw/zinc/36/31/23/522363123.db2.gz ZICXWTFDXZXBDX-UHFFFAOYSA-N 1 0 288.347 2.179 10 0 CEAERO COc1cc(C[NH3+])c(-c2cncc(F)c2)cc1OC ZINC000049576673 522363447 /nfs/dbraw/zinc/36/34/47/522363447.db2.gz AJPJTGMEFWKOCQ-UHFFFAOYSA-N 1 0 262.284 2.364 10 0 CEAERO C[NH2+][C@@H](c1ccnn1C)c1ccc(Br)cc1 ZINC000069020289 522371821 /nfs/dbraw/zinc/37/18/21/522371821.db2.gz DJIOZPWYFMHASL-GFCCVEGCSA-N 1 0 280.169 2.491 10 0 CEAERO C[NH2+][C@@H](c1nccn1C)c1cccc2cccnc21 ZINC000061418631 522375518 /nfs/dbraw/zinc/37/55/18/522375518.db2.gz FRWPXKXLFGHMKV-CQSZACIVSA-N 1 0 252.321 2.277 10 0 CEAERO CCc1nc(NC(=O)C[NH2+][C@@H](C)CC)sc1C ZINC000049184688 522393750 /nfs/dbraw/zinc/39/37/50/522393750.db2.gz GBYCNKZSJPVJLC-QMMMGPOBSA-N 1 0 255.387 2.341 10 0 CEAERO C[NH2+][C@@H]1CCC2(C[C@H]1Oc1cc(F)cc(F)c1)OCCO2 ZINC000054932652 522377822 /nfs/dbraw/zinc/37/78/22/522377822.db2.gz IAKRGVYMFNMANF-ZIAGYGMSSA-N 1 0 299.317 2.227 10 0 CEAERO CC[C@H](NC(=O)C[C@H]1CCC[NH2+]1)c1cccs1 ZINC000049532069 522399917 /nfs/dbraw/zinc/39/99/17/522399917.db2.gz UIXQHQFXBRQHHN-MNOVXSKESA-N 1 0 252.383 2.458 10 0 CEAERO C[NH2+][C@@H]1COc2cc(OC[C@H]3CCCCO3)ccc21 ZINC000062804015 522400629 /nfs/dbraw/zinc/40/06/29/522400629.db2.gz QMVWFRGKMAIGNX-TZMCWYRMSA-N 1 0 263.337 2.287 10 0 CEAERO CN[C@@](C[N@H+](C)C1CCC(C)CC1)(C(=O)OC)C1CC1 ZINC000069146436 522421789 /nfs/dbraw/zinc/42/17/89/522421789.db2.gz HTRKEAHVNMEHOQ-LDZOIKDWSA-N 1 0 282.428 2.038 10 0 CEAERO C[NH2+][C@H](C)c1cc(C)ccc1OCCC(=O)OC ZINC000069317214 522444990 /nfs/dbraw/zinc/44/49/90/522444990.db2.gz SIHRWZUKGCAXJF-LLVKDONJSA-N 1 0 251.326 2.217 10 0 CEAERO C[NH2+][C@H](C)c1ccc(F)cc1O[C@@H](C)C(=O)N1CCCC1 ZINC000062746467 522446288 /nfs/dbraw/zinc/44/62/88/522446288.db2.gz POUBMJWCMNWKRL-NEPJUHHUSA-N 1 0 294.370 2.496 10 0 CEAERO C[NH2+][C@H](C)c1ccccc1NC(=O)[C@@H]1CCCCO1 ZINC000050959805 522451313 /nfs/dbraw/zinc/45/13/13/522451313.db2.gz UIMLJEJUJZCDKR-RISCZKNCSA-N 1 0 262.353 2.475 10 0 CEAERO C[NH2+][C@H](CC[NH+]1CCC(Cc2ccccc2)CC1)C(=O)[O-] ZINC000062444597 522460046 /nfs/dbraw/zinc/46/00/46/522460046.db2.gz HFOODEHWVBGEKV-MRXNPFEDSA-N 1 0 290.407 2.004 10 0 CEAERO C[NH2+][C@H](Cn1nc(C)ccc1=O)c1cc2ccccc2o1 ZINC000061810278 522475589 /nfs/dbraw/zinc/47/55/89/522475589.db2.gz DMBGEAVJHXVGQM-CYBMUJFWSA-N 1 0 283.331 2.259 10 0 CEAERO C[NH2+][C@H](c1ccc(F)cc1F)C(C)(C)S(C)(=O)=O ZINC000070128609 522479314 /nfs/dbraw/zinc/47/93/14/522479314.db2.gz MINGWAWRXOXNBQ-LLVKDONJSA-N 1 0 277.336 2.049 10 0 CEAERO C[NH2+][C@H](c1ccc2c(c1)OCCO2)c1cccnc1OC ZINC000061443626 522482724 /nfs/dbraw/zinc/48/27/24/522482724.db2.gz YDEQMBIBVGTFMM-OAHLLOKOSA-N 1 0 286.331 2.170 10 0 CEAERO C[NH2+][C@H]1CCC2(C[C@H]1n1ncc3ccccc31)OCCO2 ZINC000050524842 522490984 /nfs/dbraw/zinc/49/09/84/522490984.db2.gz DTBABHYCSPCWQA-DZGCQCFKSA-N 1 0 287.363 2.092 10 0 CEAERO CCc1nc2ccccc2n1CC[NH2+]C1CCOCC1 ZINC000062808247 522502069 /nfs/dbraw/zinc/50/20/69/522502069.db2.gz NKBVUSOFLPOKCJ-UHFFFAOYSA-N 1 0 273.380 2.367 10 0 CEAERO C[NH2+][C@H]1CCc2c1cccc2OC[C@H](O)C(F)(F)F ZINC000068878053 522504889 /nfs/dbraw/zinc/50/48/89/522504889.db2.gz DQUYVXMQSIQBDZ-JQWIXIFHSA-N 1 0 275.270 2.195 10 0 CEAERO CCc1nc2ccccc2n1[C@@H](C)C[C@](C)([NH2+]C)C(N)=O ZINC000068650213 522505023 /nfs/dbraw/zinc/50/50/23/522505023.db2.gz RRFKXJGTTPNYAL-ZBEGNZNMSA-N 1 0 288.395 2.013 10 0 CEAERO C[NH2+][C@](C)(CCCSc1ccccc1F)C(N)=O ZINC000045557970 522515393 /nfs/dbraw/zinc/51/53/93/522515393.db2.gz MGHVJFCETLVBQR-CYBMUJFWSA-N 1 0 270.373 2.161 10 0 CEAERO C[NH2+][C@](C)(CCSCc1ccccc1C)C(N)=O ZINC000054964835 522516888 /nfs/dbraw/zinc/51/68/88/522516888.db2.gz HNYUAZBMVRHWFU-CQSZACIVSA-N 1 0 266.410 2.082 10 0 CEAERO C[NH2+][C@](C)(COc1ccc(C)cc1C(C)(C)C)C(N)=O ZINC000045508931 522517855 /nfs/dbraw/zinc/51/78/55/522517855.db2.gz RKNKDEHKDVNKBF-MRXNPFEDSA-N 1 0 278.396 2.135 10 0 CEAERO C[NH2+][C@](CSCc1ccccc1C)(C(N)=O)C1CC1 ZINC000069189778 522532409 /nfs/dbraw/zinc/53/24/09/522532409.db2.gz UHDTYFSPTTYGPG-HNNXBMFYSA-N 1 0 278.421 2.082 10 0 CEAERO CCc1ncc(C[NH2+][C@@H](CN(C)C)C(C)C)s1 ZINC000049199421 522553957 /nfs/dbraw/zinc/55/39/57/522553957.db2.gz NIDCJTLLRRARAR-LBPRGKRZSA-N 1 0 255.431 2.381 10 0 CEAERO CNc1cc(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)ccn1 ZINC000050721281 522555426 /nfs/dbraw/zinc/55/54/26/522555426.db2.gz HATDZEDVOSVYQV-CYBMUJFWSA-N 1 0 290.411 2.118 10 0 CEAERO CC[C@H]([NH2+]C)c1c(C)nn(C[C@H]2CCOC2)c1C ZINC000054718717 522557745 /nfs/dbraw/zinc/55/77/45/522557745.db2.gz JLFDUIWHSAIJSM-OLZOCXBDSA-N 1 0 251.374 2.207 10 0 CEAERO CNc1cc(C[N@H+](CCOC)[C@H](C)C2CC2)ccn1 ZINC000052728543 522565851 /nfs/dbraw/zinc/56/58/51/522565851.db2.gz QNMGNKKYWHQOGG-GFCCVEGCSA-N 1 0 263.385 2.370 10 0 CEAERO CN(CC(F)(F)F)C(=O)[C@H]1CCC[C@@H](CC[NH3+])C1 ZINC000055148086 522576487 /nfs/dbraw/zinc/57/64/87/522576487.db2.gz CVQCIDIHVFTBLB-UWVGGRQHSA-N 1 0 266.307 2.162 10 0 CEAERO COC[C@H](C)C[NH2+][C@@H](C)c1ccc(O)c(OC)c1 ZINC000045656261 522581163 /nfs/dbraw/zinc/58/11/63/522581163.db2.gz KKEFFTXYFQGNJK-MNOVXSKESA-N 1 0 253.342 2.334 10 0 CEAERO CNc1ccc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000062069788 522588856 /nfs/dbraw/zinc/58/88/56/522588856.db2.gz CKFJPNKNYPCEHS-CYBMUJFWSA-N 1 0 275.396 2.190 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C)c1sccc1C ZINC000061592656 522649279 /nfs/dbraw/zinc/64/92/79/522649279.db2.gz YNQAEYLCFDTLAF-PSASIEDQSA-N 1 0 298.437 2.049 10 0 CEAERO CC[C@@H]([NH3+])[C@](O)(c1ccccc1OC)C(F)(F)F ZINC000062784314 522655908 /nfs/dbraw/zinc/65/59/08/522655908.db2.gz CPNRFECNCIJTFX-GHMZBOCLSA-N 1 0 263.259 2.182 10 0 CEAERO CC[C@H]([NH2+]Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000049130367 522670275 /nfs/dbraw/zinc/67/02/75/522670275.db2.gz VORWXDPUHVDEBX-LBPRGKRZSA-N 1 0 259.353 2.447 10 0 CEAERO CNc1ncccc1C[N@H+](CCO)C1CCCCC1 ZINC000052727686 522709966 /nfs/dbraw/zinc/70/99/66/522709966.db2.gz YAKSGRUOLSCDOC-UHFFFAOYSA-N 1 0 263.385 2.250 10 0 CEAERO CC[C@@H]([NH2+]C)c1cccc(S(=O)(=O)NC2CCC2)c1 ZINC000052212709 522806240 /nfs/dbraw/zinc/80/62/40/522806240.db2.gz CEXBXTWLMUTFJC-CQSZACIVSA-N 1 0 282.409 2.188 10 0 CEAERO CC[C@H](O)COc1c(C)cc(C[NH2+]CCOC)cc1C ZINC000062728664 522822607 /nfs/dbraw/zinc/82/26/07/522822607.db2.gz JCPFAMQYJWOUHR-HNNXBMFYSA-N 1 0 281.396 2.189 10 0 CEAERO CN(CC[NH2+]C1CCOCC1)c1cccc(F)c1 ZINC000062767828 522865147 /nfs/dbraw/zinc/86/51/47/522865147.db2.gz KFJGHXRWKAPYQS-UHFFFAOYSA-N 1 0 252.333 2.031 10 0 CEAERO COC(=O)CCC[NH2+]Cc1ccc2ncccc2c1 ZINC000069502030 523030904 /nfs/dbraw/zinc/03/09/04/523030904.db2.gz FJNMAGVVOWAIPF-UHFFFAOYSA-N 1 0 258.321 2.278 10 0 CEAERO CC[C@@H](Oc1ccc2ccccc2c1C[C@@H](C)[NH3+])C(N)=O ZINC000061678408 523045760 /nfs/dbraw/zinc/04/57/60/523045760.db2.gz HVDCSHBMPRBGRY-IAQYHMDHSA-N 1 0 286.375 2.372 10 0 CEAERO CC[C@@H](Oc1ccccc1C[NH2+]CC(C)C)C(N)=O ZINC000062729488 523061038 /nfs/dbraw/zinc/06/10/38/523061038.db2.gz GXKKGVOKSSEPBN-CYBMUJFWSA-N 1 0 264.369 2.075 10 0 CEAERO COC(=O)CCOc1ccccc1C[NH2+]C(C)C ZINC000069316888 523107373 /nfs/dbraw/zinc/10/73/73/523107373.db2.gz FBGWWONPRYCFPN-UHFFFAOYSA-N 1 0 251.326 2.127 10 0 CEAERO CN(C[C@H]1CCCOC1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000069267670 523131597 /nfs/dbraw/zinc/13/15/97/523131597.db2.gz NVDZGTICOPUXOP-CZUORRHYSA-N 1 0 260.381 2.189 10 0 CEAERO CN(Cc1cc(C[NH3+])no1)Cc1ccc(Cl)cc1 ZINC000052346358 523172239 /nfs/dbraw/zinc/17/22/39/523172239.db2.gz LCXQEXFQLPSCQJ-UHFFFAOYSA-N 1 0 265.744 2.419 10 0 CEAERO COc1ccc(-c2ncc3c(n2)CCC[C@H]3[NH3+])cc1O ZINC000050101315 523236000 /nfs/dbraw/zinc/23/60/00/523236000.db2.gz NHCHPXQPVCOVCM-LLVKDONJSA-N 1 0 271.320 2.194 10 0 CEAERO CCn1c(S[C@H](c2ccccc2C)[C@@H](C)[NH3+])n[nH]c1=O ZINC000061594267 523247144 /nfs/dbraw/zinc/24/71/44/523247144.db2.gz YLDVBGGHNUTGHM-PWSUYJOCSA-N 1 0 292.408 2.080 10 0 CEAERO CCn1c(S[C@H](c2cccc(C)c2)[C@@H](C)[NH3+])n[nH]c1=O ZINC000061594233 523247191 /nfs/dbraw/zinc/24/71/91/523247191.db2.gz APPUSFAOCABXJP-PWSUYJOCSA-N 1 0 292.408 2.080 10 0 CEAERO COC(=O)C[C@H](C)C[C@@H]([NH3+])c1cc(OC)c(OC)cc1F ZINC000061830754 523323950 /nfs/dbraw/zinc/32/39/50/523323950.db2.gz FLOBJVLVRVMNJZ-BXKDBHETSA-N 1 0 299.342 2.432 10 0 CEAERO CC[C@H]1CO[C@H](C)CN1[C@@H](C[NH3+])c1c(F)cccc1F ZINC000048914566 523353771 /nfs/dbraw/zinc/35/37/71/523353771.db2.gz MGGCWNNHJUIVKE-SUNKGSAMSA-N 1 0 284.350 2.464 10 0 CEAERO CCn1cc(C[C@@H](Cc2cccc(F)c2)[NH2+]C)cn1 ZINC000050542989 523393565 /nfs/dbraw/zinc/39/35/65/523393565.db2.gz XBNSFGDZHWHSQS-OAHLLOKOSA-N 1 0 261.344 2.415 10 0 CEAERO CN(Cc1ccccn1)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181770 523395428 /nfs/dbraw/zinc/39/54/28/523395428.db2.gz IUNCPRUHLPKDOC-UHFFFAOYSA-N 1 0 289.423 2.062 10 0 CEAERO CCn1cc(C[C@H]([NH3+])c2ccc(F)c(F)c2)cn1 ZINC000050542447 523396453 /nfs/dbraw/zinc/39/64/53/523396453.db2.gz UJIFMLIPZBUKLK-ZDUSSCGKSA-N 1 0 251.280 2.424 10 0 CEAERO CC[C@@H]1CN([C@@H](C[NH3+])c2cccc3cccnc32)CCO1 ZINC000069502481 523467884 /nfs/dbraw/zinc/46/78/84/523467884.db2.gz NMOOIWQMSSRDLM-ZBFHGGJFSA-N 1 0 285.391 2.345 10 0 CEAERO CCn1ccnc(N(CCC[NH3+])c2ccc(C)cc2)c1=O ZINC000061757904 523502840 /nfs/dbraw/zinc/50/28/40/523502840.db2.gz WZACMOAMGOCGNV-UHFFFAOYSA-N 1 0 286.379 2.059 10 0 CEAERO CC[C@@H]1CO[C@@H](C)CN1c1ncc([C@@H](C)[NH2+]C)s1 ZINC000054908827 523510096 /nfs/dbraw/zinc/51/00/96/523510096.db2.gz FRSJZEPGIJBEHK-HBNTYKKESA-N 1 0 269.414 2.427 10 0 CEAERO CC[C@@H]1CO[C@H](C)CN1CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052197573 523515221 /nfs/dbraw/zinc/51/52/21/523515221.db2.gz BPDCJLWHLSGCLL-HZPDHXFCSA-N 1 0 298.471 2.281 10 0 CEAERO CN(Cc1cnn(C)c1)c1ccc(Cl)cc1C[NH3+] ZINC000052857137 523518402 /nfs/dbraw/zinc/51/84/02/523518402.db2.gz RJIBIDCLMXMLIF-UHFFFAOYSA-N 1 0 264.760 2.169 10 0 CEAERO COC(=O)[C@@H](C)Oc1ccc(C[NH2+]CC(C)C)cc1OC ZINC000062731905 523551712 /nfs/dbraw/zinc/55/17/12/523551712.db2.gz MLDOQVQBZRHWEX-GFCCVEGCSA-N 1 0 295.379 2.381 10 0 CEAERO CCn1ccnc1[C@H](Cc1csc(C)n1)[NH2+]C ZINC000069498592 523555068 /nfs/dbraw/zinc/55/50/68/523555068.db2.gz MTYJFKPYZAKHSN-NSHDSACASA-N 1 0 250.371 2.171 10 0 CEAERO COC(=O)[C@@H](CC[N@H+](C)CC1CCCCC1)NC(C)C ZINC000062526756 523572436 /nfs/dbraw/zinc/57/24/36/523572436.db2.gz CTPUKKSYXYKYSU-OAHLLOKOSA-N 1 0 284.444 2.428 10 0 CEAERO COC(=O)[C@@H](CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)NC(C)C ZINC000062451579 523572591 /nfs/dbraw/zinc/57/25/91/523572591.db2.gz GASFVFMIWLLIBC-ARFHVFGLSA-N 1 0 296.455 2.428 10 0 CEAERO CC[C@]1(C)CN[C@@H](C(C)C)C[N@@H+]1CCCn1ccnc1 ZINC000068704152 523575317 /nfs/dbraw/zinc/57/53/17/523575317.db2.gz DACZJJZJBHEDDS-HZPDHXFCSA-N 1 0 278.444 2.372 10 0 CEAERO CC[C@]1(C)C[NH2+]CCN1Cc1ncc(C)c(OC)c1C ZINC000068696187 523577398 /nfs/dbraw/zinc/57/73/98/523577398.db2.gz FRPAAADBGHQAQQ-MRXNPFEDSA-N 1 0 277.412 2.281 10 0 CEAERO COCCN(C)CC[NH2+][C@@H](c1cccs1)C1CC1 ZINC000061377967 523611567 /nfs/dbraw/zinc/61/15/67/523611567.db2.gz HWTHVONHZDXRDM-CQSZACIVSA-N 1 0 268.426 2.367 10 0 CEAERO COCCN(C1CC1)[C@@H]1C[C@@H](C(C)C)CC[C@@H]1[NH3+] ZINC000054555504 523642003 /nfs/dbraw/zinc/64/20/03/523642003.db2.gz MRZMUWKNBWEKSJ-AEGPPILISA-N 1 0 254.418 2.249 10 0 CEAERO CN(c1nc2c(s1)[C@H]([NH3+])CCC2)[C@@H]1CCSC1 ZINC000054895337 523666150 /nfs/dbraw/zinc/66/61/50/523666150.db2.gz RVLVONAGEKIOOD-RKDXNWHRSA-N 1 0 269.439 2.421 10 0 CEAERO CC[C@@]1(C(=O)Nc2cc(NC(C)=O)ccc2F)CC[NH2+]C1 ZINC000062891737 523697847 /nfs/dbraw/zinc/69/78/47/523697847.db2.gz CZDSMEVNZUGNQJ-OAHLLOKOSA-N 1 0 293.342 2.112 10 0 CEAERO COCCN(CCOC)Cc1ccc(C[NH2+]CC(C)C)o1 ZINC000052571402 523718756 /nfs/dbraw/zinc/71/87/56/523718756.db2.gz FKPCHMUREVSHLG-UHFFFAOYSA-N 1 0 298.427 2.120 10 0 CEAERO COCCN(c1cc(C(N)=[NH2+])c2ccccc2n1)C1CC1 ZINC000068797917 523782614 /nfs/dbraw/zinc/78/26/14/523782614.db2.gz GLNOMSIPYMFKBI-UHFFFAOYSA-N 1 0 284.363 2.134 10 0 CEAERO COCCN(c1cc(Cl)ccc1C(N)=[NH2+])[C@@H](C)COC ZINC000062788931 523782626 /nfs/dbraw/zinc/78/26/26/523782626.db2.gz OXPPZDDRZVVGDD-JTQLQIEISA-N 1 0 299.802 2.112 10 0 CEAERO COc1ccc(C)cc1C(=O)NC[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000062037136 523802552 /nfs/dbraw/zinc/80/25/52/523802552.db2.gz FHMIJYUWJAHYNK-CHWSQXEVSA-N 1 0 276.380 2.122 10 0 CEAERO COc1ccc(C)cc1C(=O)N[C@@H]1CCCCC[C@H]1[NH3+] ZINC000063210393 523803538 /nfs/dbraw/zinc/80/35/38/523803538.db2.gz JPTRVAAGTLGDHL-ZIAGYGMSSA-N 1 0 276.380 2.393 10 0 CEAERO COC(=O)[C@@](C)(N)C[C@@H](C)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000068627124 523819257 /nfs/dbraw/zinc/81/92/57/523819257.db2.gz HGVSVEVWVQMMBZ-CTASWTNQSA-N 1 0 282.428 2.168 10 0 CEAERO COCC[N@@H+]1CCN(Cc2csc(C3CC3)n2)C[C@@H]1C ZINC000161674527 523857196 /nfs/dbraw/zinc/85/71/96/523857196.db2.gz VWJIYKXQECBOQX-LBPRGKRZSA-N 1 0 295.452 2.173 10 0 CEAERO CC[C@H](C)CNS(=O)(=O)c1cccc([C@@H](C)[NH3+])c1 ZINC000054489106 523886084 /nfs/dbraw/zinc/88/60/84/523886084.db2.gz WPYRILBYONXRRK-WDEREUQCSA-N 1 0 270.398 2.031 10 0 CEAERO CN(C(=O)[C@H](C[NH3+])c1ccccc1)c1ccccc1 ZINC000061610592 523905231 /nfs/dbraw/zinc/90/52/31/523905231.db2.gz ADEUECUSQHJFQL-OAHLLOKOSA-N 1 0 254.333 2.392 10 0 CEAERO COCC[NH2+]CC1(c2ccc3c(c2)OCCO3)CCC1 ZINC000053749087 523935992 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ZINC000068816347 524065575 /nfs/dbraw/zinc/06/55/75/524065575.db2.gz BWTJDZGJPMCNJM-CYBMUJFWSA-N 1 0 278.396 2.132 10 0 CEAERO C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cc[nH+]c(NN)c1 ZINC000051119180 524128500 /nfs/dbraw/zinc/12/85/00/524128500.db2.gz VDBGXWBDXDXYRP-PWSUYJOCSA-N 1 0 262.357 2.018 10 0 CEAERO Cc1cc(C(=O)N[C@@H]2CCC[C@H]2[NH3+])c2ccccc2n1 ZINC000063172783 524129440 /nfs/dbraw/zinc/12/94/40/524129440.db2.gz XKRINEKTSIDZAB-UKRRQHHQSA-N 1 0 269.348 2.153 10 0 CEAERO C[C@H]1CCC[C@@H](C[NH3+])N1Cc1noc(-c2cccs2)n1 ZINC000070155201 524134490 /nfs/dbraw/zinc/13/44/90/524134490.db2.gz WXPDTLDBYRJBAS-QWRGUYRKSA-N 1 0 292.408 2.500 10 0 CEAERO C[C@@H]1CCCC[C@@H]1[NH2+]CCN(C)Cc1cnn(C)c1 ZINC000053441114 524143124 /nfs/dbraw/zinc/14/31/24/524143124.db2.gz HNJNANKZNRYSLR-HIFRSBDPSA-N 1 0 264.417 2.020 10 0 CEAERO C[C@@H]1CCCC[C@H]1CNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000261568459 524157305 /nfs/dbraw/zinc/15/73/05/524157305.db2.gz JCHBMTQRIFKEON-HZSPNIEDSA-N 1 0 252.402 2.461 10 0 CEAERO C[C@H]1CCC[C@@](C[NH3+])(N(C)CC(=O)Nc2ccccc2)C1 ZINC000050088949 524170150 /nfs/dbraw/zinc/17/01/50/524170150.db2.gz GIDCSKPWNKJCAG-WMLDXEAASA-N 1 0 289.423 2.465 10 0 CEAERO COc1cccc2c(C)c(C(=O)N(C)[C@@H]3CC[NH2+]C3)oc21 ZINC000179082421 524198936 /nfs/dbraw/zinc/19/89/36/524198936.db2.gz XZWUUTRVBWAAPP-LLVKDONJSA-N 1 0 288.347 2.184 10 0 CEAERO C[C@@H]1CCCN(C(=O)[C@H](C[NH3+])Cc2ccccc2)[C@@H]1C ZINC000050564860 524205139 /nfs/dbraw/zinc/20/51/39/524205139.db2.gz GNDOPQIYHKCRPJ-FMKPAKJESA-N 1 0 274.408 2.451 10 0 CEAERO COc1cccc2c1N(C(=O)C[C@H]1CCC[NH2+]C1)CCC2 ZINC000054308278 524229033 /nfs/dbraw/zinc/22/90/33/524229033.db2.gz OKWBVFXUPLZTNB-CYBMUJFWSA-N 1 0 288.391 2.364 10 0 CEAERO C[C@H]1CCN(C(=O)Cc2cccc(Cl)c2)C[C@@H]1[NH3+] ZINC000070146072 524242032 /nfs/dbraw/zinc/24/20/32/524242032.db2.gz DDIHFEHJZYNFIH-GWCFXTLKSA-N 1 0 266.772 2.078 10 0 CEAERO Cc1ccc(CC(=O)N2[C@H]3C[NH2+]C[C@H]3C[C@@H]2C)cc1C ZINC000053140219 524259370 /nfs/dbraw/zinc/25/93/70/524259370.db2.gz AUHLGBFHHYPCPW-IMJJTQAJSA-N 1 0 272.392 2.055 10 0 CEAERO C[C@H]1CCN(C(=O)c2cccc(OC(F)F)c2)C[C@@H]1[NH3+] ZINC000070145888 524272126 /nfs/dbraw/zinc/27/21/26/524272126.db2.gz JLBKAPWYZXNUDN-CABZTGNLSA-N 1 0 284.306 2.097 10 0 CEAERO C[C@@H](C(=O)Nc1cccc2ncccc21)C1C[NH2+]C1 ZINC000163813667 524275108 /nfs/dbraw/zinc/27/51/08/524275108.db2.gz FHXQCDGANDLJRT-SNVBAGLBSA-N 1 0 255.321 2.029 10 0 CEAERO C[C@@H]1CCC[C@@H](C[NH3+])N1C(=O)C1(c2ccccc2)CC1 ZINC000070152048 524286162 /nfs/dbraw/zinc/28/61/62/524286162.db2.gz TUXPJDLXJUYCRR-HIFRSBDPSA-N 1 0 272.392 2.447 10 0 CEAERO Cc1ccc(CCC(=O)N2[C@H](C)C[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000052946096 524292870 /nfs/dbraw/zinc/29/28/70/524292870.db2.gz MQKNJEMHYSHTST-BMFZPTHFSA-N 1 0 272.392 2.136 10 0 CEAERO C[C@H](C[NH3+])c1noc(-c2ccc3ccccc3n2)n1 ZINC000054158704 524311931 /nfs/dbraw/zinc/31/19/31/524311931.db2.gz XVGIDYAUCNAHOX-SECBINFHSA-N 1 0 254.293 2.347 10 0 CEAERO C[C@H](C[NH+]1CCCC1)n1c(N)nc2c1cccc2F ZINC000049185011 524321103 /nfs/dbraw/zinc/32/11/03/524321103.db2.gz RPWOINPONNOZLC-SNVBAGLBSA-N 1 0 262.332 2.414 10 0 CEAERO C[C@H]1CC[C@@H](C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)O1 ZINC000150779338 524332113 /nfs/dbraw/zinc/33/21/13/524332113.db2.gz WGNWNNFUDAIOQW-RDBSUJKOSA-N 1 0 282.428 2.181 10 0 CEAERO C[C@H]1CC[C@@H](C[NH3+])CN1C(=O)c1cc2c(s1)CCC2 ZINC000070180783 524347884 /nfs/dbraw/zinc/34/78/84/524347884.db2.gz WHXMRBKHAZRPEV-QWRGUYRKSA-N 1 0 278.421 2.436 10 0 CEAERO Cc1cccc(CCC(=O)N[C@@H]2CCCC[NH2+]C2)c1 ZINC000070120438 524348198 /nfs/dbraw/zinc/34/81/98/524348198.db2.gz ZHNOKMCKEBEJQT-OAHLLOKOSA-N 1 0 260.381 2.186 10 0 CEAERO COc1ccc(N(C)c2nnc(C)c(C)c2C(N)=[NH2+])cc1 ZINC000049970011 524357459 /nfs/dbraw/zinc/35/74/59/524357459.db2.gz ZALSIDCRLQNOEB-UHFFFAOYSA-N 1 0 285.351 2.154 10 0 CEAERO COc1ccc(N(CCC[NH3+])c2nccc(C)n2)cc1 ZINC000061858648 524366410 /nfs/dbraw/zinc/36/64/10/524366410.db2.gz KTAPPMOIGILZTC-UHFFFAOYSA-N 1 0 272.352 2.281 10 0 CEAERO C[C@@H]1CCC[C@H](C[NH3+])N1Cc1nnc(-c2ccccc2)o1 ZINC000070155399 524375431 /nfs/dbraw/zinc/37/54/31/524375431.db2.gz UPBSJBOXGXHDCS-TZMCWYRMSA-N 1 0 286.379 2.438 10 0 CEAERO C[C@@H]1CCC[C@H](CNC(=O)Cc2ccc(F)cc2)[NH2+]1 ZINC000051572915 524378652 /nfs/dbraw/zinc/37/86/52/524378652.db2.gz XEYRDSVYDDYBFI-BXUZGUMPSA-N 1 0 264.344 2.015 10 0 CEAERO Cc1ccc(CN(C)[C@@]2(C[NH3+])CCCSC2)o1 ZINC000061590032 524400420 /nfs/dbraw/zinc/40/04/20/524400420.db2.gz GUOLPMCNWGKEAY-CYBMUJFWSA-N 1 0 254.399 2.244 10 0 CEAERO Cc1cccc(CNC(=O)[C@](C)([NH3+])c2ccccc2)c1 ZINC000052882005 524426141 /nfs/dbraw/zinc/42/61/41/524426141.db2.gz GTQTYECAFRPTFA-QGZVFWFLSA-N 1 0 268.360 2.485 10 0 CEAERO Cc1cc(C)cc(NC(=O)c2cc[nH+]c(NN)c2)c1 ZINC000051096679 524436931 /nfs/dbraw/zinc/43/69/31/524436931.db2.gz DNGSFQIFWRUSSL-UHFFFAOYSA-N 1 0 256.309 2.236 10 0 CEAERO C[C@H]1CN(C(=O)C(F)(F)F)[C@H](c2ccccc2)C[NH2+]1 ZINC000062666113 524455543 /nfs/dbraw/zinc/45/55/43/524455543.db2.gz DPNMPCQNPRITBS-ONGXEEELSA-N 1 0 272.270 2.110 10 0 CEAERO COc1ccccc1N(CCC[NH3+])C1CCOCC1 ZINC000069289717 524531638 /nfs/dbraw/zinc/53/16/38/524531638.db2.gz QAUGVZZXHXVRGQ-UHFFFAOYSA-N 1 0 264.369 2.029 10 0 CEAERO C[C@@H](CCc1ccco1)[NH2+]C[C@@H](O)COC(C)(C)C ZINC000049566442 524544678 /nfs/dbraw/zinc/54/46/78/524544678.db2.gz AFCCYRHHTMOQBJ-QWHCGFSZSA-N 1 0 269.385 2.366 10 0 CEAERO C[C@@H]1CC[C@@H](C[NH3+])CN1c1ccc(C(N)=O)c(Cl)c1 ZINC000070183054 524590073 /nfs/dbraw/zinc/59/00/73/524590073.db2.gz IHFVOLXEWSURET-ZJUUUORDSA-N 1 0 281.787 2.003 10 0 CEAERO C[C@@H](CN1CCCC1)[NH2+]C[C@@H](O)c1cc(F)ccc1F ZINC000048556279 524591546 /nfs/dbraw/zinc/59/15/46/524591546.db2.gz CFOPNFBQUPGGGO-XHDPSFHLSA-N 1 0 284.350 2.072 10 0 CEAERO C[C@@H](C[NH+]1CCCCC1)N1Cc2ccc(N)cc2C1 ZINC000049502416 524602287 /nfs/dbraw/zinc/60/22/87/524602287.db2.gz UZTACMLAPSUBLY-ZDUSSCGKSA-N 1 0 259.397 2.459 10 0 CEAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc(N)c(F)cc1F ZINC000049500544 524604854 /nfs/dbraw/zinc/60/48/54/524604854.db2.gz NBVZOOPSRBPEAE-JTQLQIEISA-N 1 0 297.349 2.151 10 0 CEAERO C[C@@H](C[NH+]1CCCCC1)Nc1cc2c(cc1N)OCCO2 ZINC000049500755 524606735 /nfs/dbraw/zinc/60/67/35/524606735.db2.gz MTCBZDFYRCVWSQ-LBPRGKRZSA-N 1 0 291.395 2.326 10 0 CEAERO C[C@H]1CN(Cc2cn(C)c3ccccc23)C[C@H](C)[NH2+]1 ZINC000070075557 524640607 /nfs/dbraw/zinc/64/06/07/524640607.db2.gz OPYGPMJELCWISA-STQMWFEESA-N 1 0 257.381 2.361 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C)N1Cc1nnc(-c2ccc(F)cc2)o1 ZINC000069134494 524700139 /nfs/dbraw/zinc/70/01/39/524700139.db2.gz BTFIJKVQDWQARO-QWRGUYRKSA-N 1 0 290.342 2.058 10 0 CEAERO C[C@H]1COCCN1c1ncc(C[NH2+]C(C)(C)C)s1 ZINC000054903532 524723125 /nfs/dbraw/zinc/72/31/25/524723125.db2.gz SYTXKFGRLZHSQN-JTQLQIEISA-N 1 0 269.414 2.256 10 0 CEAERO C[C@H](Cc1ccccc1)NC(=O)C1CCC([NH3+])CC1 ZINC000062188714 524725704 /nfs/dbraw/zinc/72/57/04/524725704.db2.gz HWGNNDCZAJLFPS-LRVUVFPRSA-N 1 0 260.381 2.251 10 0 CEAERO C[C@H](Cn1c2ccc(N)cc2nc1C1CC1)[NH+](C)C ZINC000052854555 524769375 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O=C(c1ccccc1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063189298 526792941 /nfs/dbraw/zinc/79/29/41/526792941.db2.gz KYDAKCXITPJNGG-GJZGRUSLSA-N 1 0 258.365 2.433 10 0 CEAERO NC(=[NH2+])c1cc(N2CC[C@H](c3ccccc3)C2)ccn1 ZINC000061814360 526820878 /nfs/dbraw/zinc/82/08/78/526820878.db2.gz WWGRDACNCFZZQC-ZDUSSCGKSA-N 1 0 266.348 2.360 10 0 CEAERO NC(=[NH2+])c1cc(Sc2ncccn2)nc2ccccc21 ZINC000068798389 526821877 /nfs/dbraw/zinc/82/18/77/526821877.db2.gz LDSATTMVCASILC-UHFFFAOYSA-N 1 0 281.344 2.460 10 0 CEAERO NC(=[NH2+])c1cc(Oc2ccc3c(c2)CCC(=O)N3)ccn1 ZINC000061814541 526822156 /nfs/dbraw/zinc/82/21/56/526822156.db2.gz WFUQCPFQFRSTIF-UHFFFAOYSA-N 1 0 282.303 2.043 10 0 CEAERO Cc1nc(CN(C)Cc2occc2C[NH3+])cs1 ZINC000052505818 526842933 /nfs/dbraw/zinc/84/29/33/526842933.db2.gz LGBRDHHVSKCSLE-UHFFFAOYSA-N 1 0 251.355 2.135 10 0 CEAERO Cc1sc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1N ZINC000049500548 526872974 /nfs/dbraw/zinc/87/29/74/526872974.db2.gz TVUYOFRSWRSHHF-JTQLQIEISA-N 1 0 281.425 2.243 10 0 CEAERO Clc1cc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)ncn1 ZINC000049571784 526929319 /nfs/dbraw/zinc/92/93/19/526929319.db2.gz CIZULSGPESCKAJ-NXEZZACHSA-N 1 0 252.749 2.169 10 0 CEAERO Cc1nc(N2CCOC[C@H]2C)sc1C[NH2+]C(C)C ZINC000054997329 526971487 /nfs/dbraw/zinc/97/14/87/526971487.db2.gz RTRQLXZPCQYDQY-SNVBAGLBSA-N 1 0 269.414 2.175 10 0 CEAERO NC(=O)c1cc(Cl)ccc1OCC[C@H]1CCC[NH2+]C1 ZINC000052859405 527026742 /nfs/dbraw/zinc/02/67/42/527026742.db2.gz MIZPZTNMHHPKIJ-SNVBAGLBSA-N 1 0 282.771 2.207 10 0 CEAERO NC(=S)c1ncccc1C[NH+]1CCCCCCC1 ZINC000061659679 527123494 /nfs/dbraw/zinc/12/34/94/527123494.db2.gz AKGDMISCYZHNEQ-UHFFFAOYSA-N 1 0 263.410 2.482 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1ccc(F)c(F)c1F ZINC000054290100 527167331 /nfs/dbraw/zinc/16/73/31/527167331.db2.gz YIESMVMZUUJXSC-MRVPVSSYSA-N 1 0 272.270 2.432 10 0 CEAERO Cc1nc2ccccc2nc1N[C@@H]1CCCC[NH2+]C1 ZINC000070121199 527174515 /nfs/dbraw/zinc/17/45/15/527174515.db2.gz PVPJXSHGCUBJBM-GFCCVEGCSA-N 1 0 256.353 2.492 10 0 CEAERO [NH3+]CCc1cccc(C(=O)NC(C2CC2)C2CC2)c1 ZINC000053662573 527197674 /nfs/dbraw/zinc/19/76/74/527197674.db2.gz DJFGOJDSOQCKLO-UHFFFAOYSA-N 1 0 258.365 2.106 10 0 CEAERO [NH3+]CCc1nc(-c2ccc(F)c(Br)c2)c[nH]1 ZINC000061689801 527198771 /nfs/dbraw/zinc/19/87/71/527198771.db2.gz MZQMGMUXWWPGKY-UHFFFAOYSA-N 1 0 284.132 2.480 10 0 CEAERO [NH3+]C[C@@H]1CC[C@H](COc2cccc(Br)c2)O1 ZINC000052674051 527219433 /nfs/dbraw/zinc/21/94/33/527219433.db2.gz WFSSQGRQCMRIJM-NWDGAFQWSA-N 1 0 286.169 2.334 10 0 CEAERO [NH3+]C[C@@H]1Cc2ccccc2CN1c1ncccc1F ZINC000054701267 527221482 /nfs/dbraw/zinc/22/14/82/527221482.db2.gz HHGZKZLZHYSIHZ-ZDUSSCGKSA-N 1 0 257.312 2.111 10 0 CEAERO [NH3+]C[C@H](c1ccsc1)N(CCO)Cc1ccccc1 ZINC000050513863 527230046 /nfs/dbraw/zinc/23/00/46/527230046.db2.gz JOQYXNGPKUTXFW-OAHLLOKOSA-N 1 0 276.405 2.242 10 0 CEAERO Cn1cc(C[C@H]([NH3+])c2ccc3ncccc3c2)cn1 ZINC000062802008 527232119 /nfs/dbraw/zinc/23/21/19/527232119.db2.gz HYBITNPEZGDIFX-AWEZNQCLSA-N 1 0 252.321 2.211 10 0 CEAERO [NH3+]Cc1cc(N2CCC[C@H]2CCCO)nc2ccccc12 ZINC000068796927 527248908 /nfs/dbraw/zinc/24/89/08/527248908.db2.gz ABCJUAJCKYRUDS-AWEZNQCLSA-N 1 0 285.391 2.435 10 0 CEAERO [NH3+]Cc1ccc(CN2CCN(c3ccc(F)cc3)CC2)o1 ZINC000052418208 527253056 /nfs/dbraw/zinc/25/30/56/527253056.db2.gz RKPCZOVGLUADCJ-UHFFFAOYSA-N 1 0 289.354 2.200 10 0 CEAERO [NH3+]Cc1ccc(F)cc1Cn1ncc2ccccc2c1=O ZINC000069401908 527254349 /nfs/dbraw/zinc/25/43/49/527254349.db2.gz GBDQYEWPEWTMQP-UHFFFAOYSA-N 1 0 283.306 2.043 10 0 CEAERO [NH3+]Cc1ccc(N(C(=O)C2CCOCC2)C2CC2)cc1 ZINC000061670910 527254630 /nfs/dbraw/zinc/25/46/30/527254630.db2.gz PYXYUMAZHFDGFH-UHFFFAOYSA-N 1 0 274.364 2.067 10 0 CEAERO [NH3+]Cc1ccc(NC(=O)COc2cc(F)cc(F)c2)cc1 ZINC000054932535 527256464 /nfs/dbraw/zinc/25/64/64/527256464.db2.gz CBEJITBHNYSTDQ-UHFFFAOYSA-N 1 0 292.285 2.441 10 0 CEAERO NNc1cc(C(=O)Nc2cccc3c2CCCC3)cc[nH+]1 ZINC000051089851 527273311 /nfs/dbraw/zinc/27/33/11/527273311.db2.gz SOBBOLSZFTZXRW-UHFFFAOYSA-N 1 0 282.347 2.498 10 0 CEAERO NNc1[nH+]cccc1COc1cccc2cccnc21 ZINC000052729546 527289037 /nfs/dbraw/zinc/28/90/37/527289037.db2.gz BJGPLVBYERFTOG-UHFFFAOYSA-N 1 0 266.304 2.494 10 0 CEAERO O=S1(=O)CCC[C@@H]([NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000069142718 527300813 /nfs/dbraw/zinc/30/08/13/527300813.db2.gz BRQGNYCKDPJIIX-HUUCEWRRSA-N 1 0 297.395 2.444 10 0 CEAERO O=S1(=O)CC[C@@H]([C@@H](C[NH2+]C2CC2)Cc2ccsc2)C1 ZINC000052951722 527310532 /nfs/dbraw/zinc/31/05/32/527310532.db2.gz DUYBRIIQDPUYLU-CHWSQXEVSA-N 1 0 299.461 2.094 10 0 CEAERO [NH3+][C@@H](CNC(=O)Cc1ccc(F)cc1)c1ccccc1 ZINC000062837884 527332549 /nfs/dbraw/zinc/33/25/49/527332549.db2.gz KNWMGMYRLMTMMX-HNNXBMFYSA-N 1 0 272.323 2.184 10 0 CEAERO [NH3+][C@@H](Cc1cccc(Br)c1)[C@@H]1CCOC1 ZINC000050041251 527335907 /nfs/dbraw/zinc/33/59/07/527335907.db2.gz IOLFXFZNGOLPQD-PWSUYJOCSA-N 1 0 270.170 2.355 10 0 CEAERO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)c1ccc2c(c1)CCO2 ZINC000054685757 527337230 /nfs/dbraw/zinc/33/72/30/527337230.db2.gz FQTYRWAZUZGSHV-RDJZCZTQSA-N 1 0 269.344 2.225 10 0 CEAERO [NH3+][C@H](CN1Cc2ccccc2C1)c1ccc2c(c1)OCO2 ZINC000050911032 527385519 /nfs/dbraw/zinc/38/55/19/527385519.db2.gz IQTHKWPXBABJCQ-OAHLLOKOSA-N 1 0 282.343 2.431 10 0 CEAERO [NH3+][C@H](Cc1ccccc1)CN1CCOc2ccccc2C1 ZINC000063013459 527389331 /nfs/dbraw/zinc/38/93/31/527389331.db2.gz WLIZGFOUKNNAGY-QGZVFWFLSA-N 1 0 282.387 2.451 10 0 CEAERO [NH3+][C@H](Cn1cc(Br)ccc1=O)c1ccccc1 ZINC000059112841 527391059 /nfs/dbraw/zinc/39/10/59/527391059.db2.gz BWNJPGSPACKGDX-GFCCVEGCSA-N 1 0 293.164 2.311 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1CC(=O)N(CCO)C1CCCCC1 ZINC000055133300 527395990 /nfs/dbraw/zinc/39/59/90/527395990.db2.gz XBCTYWOOLAWNOW-ZFWWWQNUSA-N 1 0 282.428 2.048 10 0 CEAERO [NH3+][C@H]1CCCN(c2cc(Cl)ccc2Cl)C1=O ZINC000070061986 527402171 /nfs/dbraw/zinc/40/21/71/527402171.db2.gz LFNCDKARWOLIHG-VIFPVBQESA-N 1 0 259.136 2.448 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1NC(=O)Cc1cccc2ccccc21 ZINC000063172738 527407764 /nfs/dbraw/zinc/40/77/64/527407764.db2.gz TUFSARBYYZKWGD-JKSUJKDBSA-N 1 0 268.360 2.378 10 0 CEAERO O=c1[nH]c(OC[C@@H]2CCCC[NH2+]2)cc2ccccc21 ZINC000051883263 527441983 /nfs/dbraw/zinc/44/19/83/527441983.db2.gz AVNSLLKBXCRIDK-LBPRGKRZSA-N 1 0 258.321 2.049 10 0 CEAERO Nc1ccc(Cl)c(C[N@@H+]2CCCC[C@H]2CCO)n1 ZINC000061630780 527485406 /nfs/dbraw/zinc/48/54/06/527485406.db2.gz URJNTXQILHDCNX-JTQLQIEISA-N 1 0 269.776 2.054 10 0 CEAERO Nc1ccccc1CC[NH+]1CCN(c2ccccn2)CC1 ZINC000052918203 527526181 /nfs/dbraw/zinc/52/61/81/527526181.db2.gz UZVOTVKEXQVGPO-UHFFFAOYSA-N 1 0 282.391 2.029 10 0 CEAERO FC(F)(F)COCCC[NH2+]CCc1ccco1 ZINC000049312386 527669805 /nfs/dbraw/zinc/66/98/05/527669805.db2.gz JKSSOQNVDIGWEF-UHFFFAOYSA-N 1 0 251.248 2.381 10 0 CEAERO FC(F)(F)CO[C@H]1CCC[C@@H]([NH2+]Cc2cncnc2)C1 ZINC000054767840 527671433 /nfs/dbraw/zinc/67/14/33/527671433.db2.gz DKXNXBYNBPCDIP-NEPJUHHUSA-N 1 0 289.301 2.456 10 0 CEAERO Cc1nn(C2CCOCC2)c(C)c1C[NH2+]C(C)C ZINC000069311117 527700771 /nfs/dbraw/zinc/70/07/71/527700771.db2.gz QJVWFLWYVSDNAH-UHFFFAOYSA-N 1 0 251.374 2.349 10 0 CEAERO CCCC1(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000177250861 528047936 /nfs/dbraw/zinc/04/79/36/528047936.db2.gz NHNDKRQLAMHNTE-AWEZNQCLSA-N 1 0 279.428 2.446 10 0 CEAERO CCO[C@H]1C[C@@H]([N@H+](C)CCN2CCCC2=O)C12CCCC2 ZINC000121125144 528072958 /nfs/dbraw/zinc/07/29/58/528072958.db2.gz QDZPPNQCPAWEEU-CABCVRRESA-N 1 0 294.439 2.278 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2C(C)=O)C1 ZINC000174646281 529090666 /nfs/dbraw/zinc/09/06/66/529090666.db2.gz XTLZFBCNCPNOTN-ZDUSSCGKSA-N 1 0 274.364 2.103 10 0 CEAERO CCn1cccc1C[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000091024686 536102081 /nfs/dbraw/zinc/10/20/81/536102081.db2.gz VSWGSLKYVZNQPO-AWEZNQCLSA-N 1 0 285.395 2.057 10 0 CEAERO CCc1cc(N2CCC(C[NH3+])(SC)CC2)nc(C)n1 ZINC000091472923 536144268 /nfs/dbraw/zinc/14/42/68/536144268.db2.gz WAFLBKYPCHHRIQ-UHFFFAOYSA-N 1 0 280.441 2.008 10 0 CEAERO CC[C@H]1CN(c2ccc(F)c(OC)c2)[C@H](C)C[NH2+]1 ZINC000083393330 536160808 /nfs/dbraw/zinc/16/08/08/536160808.db2.gz YJGUOLKQSYPXFN-MNOVXSKESA-N 1 0 252.333 2.411 10 0 CEAERO C[NH2+][C@H](C)C1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000081585734 536388923 /nfs/dbraw/zinc/38/89/23/536388923.db2.gz FGUUNHQMJJRTRV-SECBINFHSA-N 1 0 288.317 2.320 10 0 CEAERO CN1CCN(C(=O)CC[C@@H]2CCCC[NH2+]2)c2ccccc21 ZINC000113550311 536404095 /nfs/dbraw/zinc/40/40/95/536404095.db2.gz QLPJHMFGNAQYCW-AWEZNQCLSA-N 1 0 287.407 2.392 10 0 CEAERO COc1cccc(N2CCN(CCC3([NH3+])CCC3)CC2)c1 ZINC000094295822 537123427 /nfs/dbraw/zinc/12/34/27/537123427.db2.gz XBOHARSVPCQHSG-UHFFFAOYSA-N 1 0 289.423 2.089 10 0 CEAERO Cc1oc(C)c(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)c1C ZINC000229583715 574441520 /nfs/dbraw/zinc/44/15/20/574441520.db2.gz CQHGIKNEYFFFSO-JOYOIKCWSA-N 1 0 250.342 2.075 10 0 CEAERO Cc1ccc([C@@H]2C[NH2+]C[C@@H]2C(=O)OC(C)(C)C)nc1 ZINC000757191196 574512000 /nfs/dbraw/zinc/51/20/00/574512000.db2.gz RZODTMFXOYZCEF-NEPJUHHUSA-N 1 0 262.353 2.035 10 0 CEAERO CC1(C)C[NH2+]C2(CCSCC2)OC12CCOCC2 ZINC000757146133 574510375 /nfs/dbraw/zinc/51/03/75/574510375.db2.gz QOWQLDQRVUPERQ-UHFFFAOYSA-N 1 0 271.426 2.405 10 0 CEAERO CC1(C)C[NH2+][C@]2(CCCSC2)O[C@]12CCCOC2 ZINC000757147245 574510458 /nfs/dbraw/zinc/51/04/58/574510458.db2.gz SBIHPUJWQGFMDH-UONOGXRCSA-N 1 0 271.426 2.405 10 0 CEAERO [NH3+]C[C@H]1CCN1Cc1ccc(F)cc1Br ZINC000757148192 574510549 /nfs/dbraw/zinc/51/05/49/574510549.db2.gz WPVFYNFNRDCHTL-SNVBAGLBSA-N 1 0 273.149 2.121 10 0 CEAERO C[C@@H](C[NH3+])[C@H](O)c1csc(Br)c1 ZINC000235146840 567876147 /nfs/dbraw/zinc/87/61/47/567876147.db2.gz FSBSPICGAPFNRT-XNCJUZBTSA-N 1 0 250.161 2.139 10 0 CEAERO C[C@H]([NH3+])[C@H]1COc2c(F)cc(Br)cc2C1 ZINC000675063530 570365951 /nfs/dbraw/zinc/36/59/51/570365951.db2.gz HHVLKIFEHKKLOO-POYBYMJQSA-N 1 0 274.133 2.487 10 0 CEAERO CCC[C@@]1(C2=[NH+]CCN2)Cc2cccc3c2N1CC3 ZINC000000004503 570387898 /nfs/dbraw/zinc/38/78/98/570387898.db2.gz BADQRNHAZHSOKC-INIZCTEOSA-N 1 0 255.365 2.146 10 0 investigational CEAERO C[C@@H]1CN(Cc2nc(-c3cccc(Cl)c3)no2)C[C@@H]1[NH3+] ZINC000235407165 625424100 /nfs/dbraw/zinc/42/41/00/625424100.db2.gz FSCJEWKGNPIXGG-SKDRFNHKSA-N 1 0 292.770 2.169 10 0 CEAERO COC(=O)[C@H]1C[NH2+]C[C@H]1c1cc(C)cc(Br)c1 ZINC000757183861 622956830 /nfs/dbraw/zinc/95/68/30/622956830.db2.gz IFPYTQSUQLPNEC-RYUDHWBXSA-N 1 0 298.180 2.234 10 0 CEAERO Cc1nc([C@@H]2C[NH2+]C[C@@H]2C(=O)OC(C)(C)C)cs1 ZINC000757192294 622965412 /nfs/dbraw/zinc/96/54/12/622965412.db2.gz XUDKQUQKAXEFPF-ZJUUUORDSA-N 1 0 268.382 2.096 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CN1C(=O)C(C)(C)C1(C)C ZINC000177691449 623226624 /nfs/dbraw/zinc/22/66/24/623226624.db2.gz UWBIGZFOSUUVLX-CYBMUJFWSA-N 1 0 281.444 2.007 10 0 CEAERO C[C@@H](Nc1ncnc2sccc21)[C@H]1CCC[NH2+]C1 ZINC000050163652 623324507 /nfs/dbraw/zinc/32/45/07/623324507.db2.gz FJITUXLIKNXFAB-ZJUUUORDSA-N 1 0 262.382 2.491 10 0 CEAERO CCc1ccc([C@H](C)NC(=O)[C@]2(COC)CC[NH2+]C2)cc1 ZINC000261599484 623391345 /nfs/dbraw/zinc/39/13/45/623391345.db2.gz BDBMVZNIJQVIEX-SUMWQHHRSA-N 1 0 290.407 2.052 10 0 CEAERO C[NH+](C)[C@H]1CCN(c2nc(Cl)nc3sccc32)C1 ZINC000234256746 623425074 /nfs/dbraw/zinc/42/50/74/623425074.db2.gz DNRVDLJWLGLWOF-QMMMGPOBSA-N 1 0 282.800 2.485 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)CCc1cccc(Br)c1 ZINC000261867808 623503590 /nfs/dbraw/zinc/50/35/90/623503590.db2.gz ZGYYGUWEOZPJRY-SNVBAGLBSA-N 1 0 299.212 2.106 10 0 CEAERO C[NH2+][C@@H]1CCCN(c2nccc(C)c2Br)C1 ZINC000234419799 623583745 /nfs/dbraw/zinc/58/37/45/623583745.db2.gz WAYAHLDLPXESGX-SNVBAGLBSA-N 1 0 284.201 2.341 10 0 CEAERO Cc1cc2c(ncnc2NCC[C@H]2CC[NH2+]C2)s1 ZINC000104360777 624324771 /nfs/dbraw/zinc/32/47/71/624324771.db2.gz BYJGJULWXIJQMI-SNVBAGLBSA-N 1 0 262.382 2.411 10 0 CEAERO CC[NH2+]CC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000044286911 624456989 /nfs/dbraw/zinc/45/69/89/624456989.db2.gz OTFFNTGXFQJCEL-IKMFHRHGSA-N 1 0 264.413 2.317 10 0 CEAERO COC[C@@H]([NH3+])C(=O)NCC1CCC(c2ccccc2)CC1 ZINC000262269006 624869176 /nfs/dbraw/zinc/86/91/76/624869176.db2.gz KDHYMZYROFGXJX-AVVWSFFYSA-N 1 0 290.407 2.050 10 0 CEAERO Cc1sc2ncnc(N3C[C@@H](C)[NH2+]C[C@@H]3C)c2c1C ZINC000086471079 625275096 /nfs/dbraw/zinc/27/50/96/625275096.db2.gz IXMJBUQFIXCDDR-BDAKNGLRSA-N 1 0 276.409 2.495 10 0 CEAERO CCCCCCNC(=O)CN1C[C@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000175056529 627887148 /nfs/dbraw/zinc/88/71/48/627887148.db2.gz GAMKVTZRDYOEIS-JKSUJKDBSA-N 1 0 295.471 2.242 10 0 CEAERO C[C@@H](C[NH2+][C@H]1CCCOC1)N(C)C(=O)OC(C)(C)C ZINC000309876420 628079704 /nfs/dbraw/zinc/07/97/04/628079704.db2.gz WCOPSDADLMLMRO-RYUDHWBXSA-N 1 0 272.389 2.010 10 0 CEAERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)O)c(Br)c1 ZINC000309912564 628228131 /nfs/dbraw/zinc/22/81/31/628228131.db2.gz NOCKCJTXRYNXNV-DTWKUNHWSA-N 1 0 288.185 2.317 10 0 CEAERO COc1cccnc1NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000312443789 628273360 /nfs/dbraw/zinc/27/33/60/628273360.db2.gz WEJHMOUXWVTYBF-AWEZNQCLSA-N 1 0 269.348 2.389 10 0 CEAERO C[NH2+]CC1CCN(c2cnc3ccccc3n2)CC1 ZINC000053664152 628489281 /nfs/dbraw/zinc/48/92/81/628489281.db2.gz AIOQENLNEAPLRN-UHFFFAOYSA-N 1 0 256.353 2.066 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(O)ccc1C ZINC000312761315 628527970 /nfs/dbraw/zinc/52/79/70/628527970.db2.gz NPDLVDXJQBILOT-CYBMUJFWSA-N 1 0 276.380 2.257 10 0 CEAERO C[C@H](C[NH2+][C@H]1COCC1(C)C)N(C)C(=O)OC(C)(C)C ZINC000312966772 628570896 /nfs/dbraw/zinc/57/08/96/628570896.db2.gz GDARORZDGFJUSG-NEPJUHHUSA-N 1 0 286.416 2.256 10 0 CEAERO C[C@H]([NH3+])C1CCN(c2ncc(Cl)cc2F)CC1 ZINC000094052546 628750329 /nfs/dbraw/zinc/75/03/29/628750329.db2.gz SVRWRFZTRGTSPF-QMMMGPOBSA-N 1 0 257.740 2.438 10 0 CEAERO CC[C@@H]([NH2+]C1CCN(CCO)CC1)c1ccc(C)cc1 ZINC000399018736 628768825 /nfs/dbraw/zinc/76/88/25/628768825.db2.gz GSNXSHPUADUYNA-QGZVFWFLSA-N 1 0 276.424 2.492 10 0 CEAERO CCc1ccc([C@@H](C)[NH2+]C2CCN(CCO)CC2)cc1 ZINC000399106776 628775998 /nfs/dbraw/zinc/77/59/98/628775998.db2.gz XYLYAPPKMALGMX-CQSZACIVSA-N 1 0 276.424 2.356 10 0 CEAERO Cc1ccc(Cl)cc1C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000261557114 628938014 /nfs/dbraw/zinc/93/80/14/628938014.db2.gz RFDNATDTUHTFGJ-SKDRFNHKSA-N 1 0 252.745 2.210 10 0 CEAERO CC[C@@H](C)c1ccc(S(=O)(=O)NC[C@H](C)[NH2+]C)cc1 ZINC000261574779 628939498 /nfs/dbraw/zinc/93/94/98/628939498.db2.gz XVFDUUDOMJBKTN-NEPJUHHUSA-N 1 0 284.425 2.086 10 0 CEAERO C[C@@H]1CC[C@H](NC(=O)CC[C@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000261581592 628941559 /nfs/dbraw/zinc/94/15/59/628941559.db2.gz QTMDGIQFFUKGBV-SYQHCUMBSA-N 1 0 252.402 2.460 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1Cc1ccc(OC(F)F)cc1 ZINC000261584640 628942101 /nfs/dbraw/zinc/94/21/01/628942101.db2.gz SLOOOBWIWGFIHQ-JOYOIKCWSA-N 1 0 256.296 2.210 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1CCCc2sccc21 ZINC000261592161 628942995 /nfs/dbraw/zinc/94/29/95/628942995.db2.gz YJSXWLYASYIXLO-JLLWLGSASA-N 1 0 264.394 2.116 10 0 CEAERO COC[C@]1(C(=O)N[C@@H](C)c2ccc(C)cc2C)CC[NH2+]C1 ZINC000261726309 629160057 /nfs/dbraw/zinc/16/00/57/629160057.db2.gz QQCMRRLZNNKVSB-YOEHRIQHSA-N 1 0 290.407 2.107 10 0 CEAERO C[NH2+][C@H](C)Cc1noc([C@@H]2C[C@@]23CCOc2ccccc23)n1 ZINC000261729118 629164547 /nfs/dbraw/zinc/16/45/47/629164547.db2.gz KDFVRAJXVGJCQK-BTJLNZGRSA-N 1 0 299.374 2.428 10 0 CEAERO CCCC[C@@H](CC)C(=O)N[C@H]1C[NH+]2CCC1CC2 ZINC000222585581 629183186 /nfs/dbraw/zinc/18/31/86/629183186.db2.gz DSCOIUCWADWQAW-OCCSQVGLSA-N 1 0 252.402 2.413 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000237002629 629249422 /nfs/dbraw/zinc/24/94/22/629249422.db2.gz PFBYIVCJJAIVES-KGLIPLIRSA-N 1 0 264.344 2.447 10 0 CEAERO C[C@@H](C[NH3+])c1noc(COc2ccc(Cl)cc2)n1 ZINC000054158601 629261803 /nfs/dbraw/zinc/26/18/03/629261803.db2.gz FKJZFWRMBMZHOI-QMMMGPOBSA-N 1 0 267.716 2.364 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)C(F)(F)c2ccccc2)C1 ZINC000048753700 629524174 /nfs/dbraw/zinc/52/41/74/629524174.db2.gz HAXZNIMRRJREJP-CYBMUJFWSA-N 1 0 282.334 2.379 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1c1nc(-c2cncs2)no1 ZINC000147421217 629586283 /nfs/dbraw/zinc/58/62/83/629586283.db2.gz DJRSFOHPSSDPLO-SFYZADRCSA-N 1 0 250.327 2.036 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)Nc1nc2c(cccc2Cl)[nH]1 ZINC000262144915 629935511 /nfs/dbraw/zinc/93/55/11/629935511.db2.gz PWHWPSFWMZNSHG-MRVPVSSYSA-N 1 0 266.732 2.282 10 0 CEAERO C[C@H](C[NH3+])C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000054338284 631186953 /nfs/dbraw/zinc/18/69/53/631186953.db2.gz DFZSOFYIBKZQAM-RKDXNWHRSA-N 1 0 285.185 2.221 10 0 CEAERO CCS(=O)(=O)c1ccc(N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000050163829 631254125 /nfs/dbraw/zinc/25/41/25/631254125.db2.gz DSLUGGPNXYHJGM-QWHCGFSZSA-N 1 0 296.436 2.280 10 0 CEAERO Cc1c(Br)ccc2c1NC(=O)C[C@H]2C[NH3+] ZINC000757175323 631828727 /nfs/dbraw/zinc/82/87/27/631828727.db2.gz DEDKLAPZPJZDIZ-ZETCQYMHSA-N 1 0 269.142 2.142 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[NH2+]2)cc1F ZINC000088252768 632279789 /nfs/dbraw/zinc/27/97/89/632279789.db2.gz KXDAGOPJCAISIV-MFKMUULPSA-N 1 0 250.317 2.063 10 0 CEAERO COCC[N@H+](C)C[C@H](O)c1ccc2ccccc2c1 ZINC000042256236 632933614 /nfs/dbraw/zinc/93/36/14/632933614.db2.gz QOOJGPDWVWJPCC-INIZCTEOSA-N 1 0 259.349 2.451 10 0 CEAERO COC(=O)[C@H]1C[N@H+](Cc2cccc(OC)c2F)C[C@H]1C ZINC000166453459 637256147 /nfs/dbraw/zinc/25/61/47/637256147.db2.gz ZCONDMBTOFUVKN-PWSUYJOCSA-N 1 0 281.327 2.075 10 0 CEAERO Fc1cccc(COC2C[NH2+]C2)c1Br ZINC000156906384 639403197 /nfs/dbraw/zinc/40/31/97/639403197.db2.gz YNESZEVFSQGLHL-UHFFFAOYSA-N 1 0 260.106 2.077 10 0 CEAERO CCc1cccnc1-c1noc(C[C@@H]2CCC[NH2+]C2)n1 ZINC000157312661 639481397 /nfs/dbraw/zinc/48/13/97/639481397.db2.gz BNUUVCSYMKUXFZ-NSHDSACASA-N 1 0 272.352 2.236 10 0 CEAERO O=C(NC[C@@H]1CC[NH2+]C1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000168103302 639556015 /nfs/dbraw/zinc/55/60/15/639556015.db2.gz LLXNOWSVXGFDJK-LXTVHRRPSA-N 1 0 264.413 2.319 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCOc2ccccc21 ZINC000227326099 639584025 /nfs/dbraw/zinc/58/40/25/639584025.db2.gz HITRAWVUMOUOFM-KCQAQPDRSA-N 1 0 288.391 2.392 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+]C2CCC(O)CC2)C1 ZINC000227614538 639599356 /nfs/dbraw/zinc/59/93/56/639599356.db2.gz OUOKQCCVYBOBSE-IYXRBSQSSA-N 1 0 298.427 2.137 10 0 CEAERO C[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)c1ccc(Cl)s1 ZINC000104222208 639712610 /nfs/dbraw/zinc/71/26/10/639712610.db2.gz KFIAMFKPUXCJBR-HRDYMLBCSA-N 1 0 272.801 2.434 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1ccc(Br)nc1 ZINC000232477653 639924590 /nfs/dbraw/zinc/92/45/90/639924590.db2.gz XKUXXSZVHNLKDC-SECBINFHSA-N 1 0 298.184 2.172 10 0 CEAERO C[C@@H]([NH2+]CC1(O)CCSCC1)c1cncs1 ZINC000151582444 640042513 /nfs/dbraw/zinc/04/25/13/640042513.db2.gz JHFLQPCDLRTWND-SECBINFHSA-N 1 0 258.412 2.052 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@H]1C(=O)NCc1ccc(F)cc1 ZINC000089386504 640360879 /nfs/dbraw/zinc/36/08/79/640360879.db2.gz VYUDSPGDZNSDPR-TZMCWYRMSA-N 1 0 264.344 2.207 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cn1cnc(-c2ccccc2)n1 ZINC000153237875 640437441 /nfs/dbraw/zinc/43/74/41/640437441.db2.gz GPFPPWQRJFFIEQ-GDBMZVCRSA-N 1 0 297.406 2.071 10 0 CEAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000324566875 640684802 /nfs/dbraw/zinc/68/48/02/640684802.db2.gz VPGJSGNYMAOGGP-STQMWFEESA-N 1 0 271.788 2.370 10 0 CEAERO CC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000179691731 641374154 /nfs/dbraw/zinc/37/41/54/641374154.db2.gz BTOVLNXXJDCZKT-AWEZNQCLSA-N 1 0 296.798 2.455 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1cc(-c2ccccc2)on1 ZINC000237791752 641383769 /nfs/dbraw/zinc/38/37/69/641383769.db2.gz PQZURHFDKRCOGE-OLZOCXBDSA-N 1 0 285.347 2.199 10 0 CEAERO C[C@H]([NH2+]CC1OCCO1)c1cccc(Br)c1 ZINC000180239338 641436321 /nfs/dbraw/zinc/43/63/21/641436321.db2.gz HWMKMMDHCILVGB-VIFPVBQESA-N 1 0 286.169 2.473 10 0 CEAERO [NH3+][C@@H]1CCC[C@H](c2nc(Cc3ccncc3)no2)C1 ZINC000070557724 641682477 /nfs/dbraw/zinc/68/24/77/641682477.db2.gz POKJORVODYKVGN-NWDGAFQWSA-N 1 0 258.325 2.040 10 0 CEAERO [NH3+][C@@H]1CCC[C@H](C(=O)N(Cc2ccccn2)C2CC2)C1 ZINC000070576068 641684827 /nfs/dbraw/zinc/68/48/27/641684827.db2.gz QTZPVRMKHJHJMV-QWHCGFSZSA-N 1 0 273.380 2.090 10 0 CEAERO C[N@H+](C[C@@H](O)c1cccc(C(F)(F)F)c1)[C@@H]1CCOC1 ZINC000113315213 644333197 /nfs/dbraw/zinc/33/31/97/644333197.db2.gz FUIHTMGBYKDELT-CHWSQXEVSA-N 1 0 289.297 2.460 10 0 CEAERO C[C@@H]1CC[C@@H](C(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)O1 ZINC000124496833 649656064 /nfs/dbraw/zinc/65/60/64/649656064.db2.gz CYPOICAOBHADNB-BMFZPTHFSA-N 1 0 289.375 2.372 10 0 CEAERO CCCCCC(C)(C)CNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129811791 652177592 /nfs/dbraw/zinc/17/75/92/652177592.db2.gz QJCALBPKHWYKTJ-UHFFFAOYSA-N 1 0 297.487 2.393 10 0 CEAERO O=C(NC[C@H]1CC[NH2+]C1)c1cccc(Cl)c1Cl ZINC000133617086 652692722 /nfs/dbraw/zinc/69/27/22/652692722.db2.gz UBKLPJGRNFWKIO-QMMMGPOBSA-N 1 0 273.163 2.333 10 0 CEAERO C[C@H]([NH2+]CC[S@@](C)=O)c1ccc(Cl)s1 ZINC000133794554 652719456 /nfs/dbraw/zinc/71/94/56/652719456.db2.gz JYCVRWFDGZAVMN-WJWGPLDTSA-N 1 0 251.804 2.431 10 0 CEAERO CCC[NH2+][C@H](C)CCS(=O)(=O)CC1CCCC1 ZINC000081991782 177915562 /nfs/dbraw/zinc/91/55/62/177915562.db2.gz KGLLKRPMVFTEOD-GFCCVEGCSA-N 1 0 261.431 2.370 10 0 CEAERO CN(CCc1ccncc1)c1ccc(CC[NH3+])cc1 ZINC000082303660 177952746 /nfs/dbraw/zinc/95/27/46/177952746.db2.gz PFROIELBONNRQO-UHFFFAOYSA-N 1 0 255.365 2.262 10 0 CEAERO Cc1nc2ccccc2nc1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000248903276 282088490 /nfs/dbraw/zinc/08/84/90/282088490.db2.gz VJKKEBYURUOMML-ZDUSSCGKSA-N 1 0 268.364 2.223 10 0 CEAERO Cc1nc2ccccc2nc1N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000216228183 282088868 /nfs/dbraw/zinc/08/88/68/282088868.db2.gz KDRDNYSPZYSHME-CMPLNLGQSA-N 1 0 256.353 2.112 10 0 CEAERO COCc1nc(N2CCCC2)sc1C[NH2+]C1CC1 ZINC000082447128 178025841 /nfs/dbraw/zinc/02/58/41/178025841.db2.gz PBNKENDGHISSAP-UHFFFAOYSA-N 1 0 267.398 2.142 10 0 CEAERO [NH3+]C[C@@H](O[C@@H]1CCOC1)c1ccc(Br)cc1 ZINC000082452959 178031299 /nfs/dbraw/zinc/03/12/99/178031299.db2.gz HIYNQFOOYSCYDX-VXGBXAGGSA-N 1 0 286.169 2.254 10 0 CEAERO [NH3+]CCc1cc(Br)nc(Br)c1 ZINC000095767958 185027325 /nfs/dbraw/zinc/02/73/25/185027325.db2.gz ORLDWNAIVQPMBT-UHFFFAOYSA-N 1 0 279.963 2.108 10 0 CEAERO CN(CC[NH+](C)C)c1ccc(N)cc1Br ZINC000082539814 178088975 /nfs/dbraw/zinc/08/89/75/178088975.db2.gz XJSMADBQAVKBIY-UHFFFAOYSA-N 1 0 272.190 2.029 10 0 CEAERO C[C@]([NH3+])(CCO)c1cc(Br)cs1 ZINC000082554917 178089050 /nfs/dbraw/zinc/08/90/50/178089050.db2.gz BKWUOHYONFBYTO-QMMMGPOBSA-N 1 0 250.161 2.067 10 0 CEAERO CN(CCC[NH+](C)C)c1ccc(N)cc1Br ZINC000082539952 178089225 /nfs/dbraw/zinc/08/92/25/178089225.db2.gz PWZPZKKQJHLBSY-UHFFFAOYSA-N 1 0 286.217 2.419 10 0 CEAERO CCn1cncc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000124622012 187145674 /nfs/dbraw/zinc/14/56/74/187145674.db2.gz DQBLWYLEFDOQRD-XHSDSOJGSA-N 1 0 277.412 2.419 10 0 CEAERO [NH3+]CCc1nnc(-c2cc(Br)cs2)o1 ZINC000082585313 178120844 /nfs/dbraw/zinc/12/08/44/178120844.db2.gz LZWPHVGTTBHUBW-UHFFFAOYSA-N 1 0 274.143 2.062 10 0 CEAERO COC(=O)CCSc1cccc(Cl)c1C[NH3+] ZINC000082616131 178126704 /nfs/dbraw/zinc/12/67/04/178126704.db2.gz GYAQRRQKGQEJLN-UHFFFAOYSA-N 1 0 259.758 2.454 10 0 CEAERO [NH3+]Cc1cccc(Nc2ncc(Br)cn2)c1 ZINC000082663570 178152325 /nfs/dbraw/zinc/15/23/25/178152325.db2.gz FODGESOVPCMSQZ-UHFFFAOYSA-N 1 0 279.141 2.441 10 0 CEAERO [NH3+]Cc1cn2cc(Br)cc(Cl)c2n1 ZINC000082694413 178189210 /nfs/dbraw/zinc/18/92/10/178189210.db2.gz FHQLMFXKWOPBQA-UHFFFAOYSA-N 1 0 260.522 2.209 10 0 CEAERO CSCC[C@@H]([NH3+])c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000034939146 361798445 /nfs/dbraw/zinc/79/84/45/361798445.db2.gz VAAKPWVJPWBAEC-MRVPVSSYSA-N 1 0 279.365 2.087 10 0 CEAERO O=C(c1cc2c(cc1Cl)OCCO2)[C@H]1CCC[NH2+]1 ZINC000082722144 178237306 /nfs/dbraw/zinc/23/73/06/178237306.db2.gz HNKFPVNZXORTNE-SNVBAGLBSA-N 1 0 267.712 2.046 10 0 CEAERO CNC(=O)[C@H]1CCC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000124805944 187154990 /nfs/dbraw/zinc/15/49/90/187154990.db2.gz QAVIBZNZZLAPGS-AWEZNQCLSA-N 1 0 283.375 2.193 10 0 CEAERO CC(=O)N1CCC([NH2+][C@@H](C)c2cccs2)CC1 ZINC000034996374 361802616 /nfs/dbraw/zinc/80/26/16/361802616.db2.gz BDULAVAIRIERMM-JTQLQIEISA-N 1 0 252.383 2.410 10 0 CEAERO C[NH2+]CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000082744563 178269270 /nfs/dbraw/zinc/26/92/70/178269270.db2.gz CPLVSJMOGDUHHA-CQSZACIVSA-N 1 0 252.166 2.320 10 0 CEAERO C[C@H]([NH3+])c1nnc(-c2cc(F)cc(Br)c2)[nH]1 ZINC000082752548 178274766 /nfs/dbraw/zinc/27/47/66/178274766.db2.gz VMOTWLLREBCJNM-YFKPBYRVSA-N 1 0 285.120 2.393 10 0 CEAERO Cn1c(Cl)cnc1CN[C@H](C[NH+](C)C)c1ccccc1 ZINC000272917277 282117899 /nfs/dbraw/zinc/11/78/99/282117899.db2.gz RFRKUIHQBYLBSG-CYBMUJFWSA-N 1 0 292.814 2.466 10 0 CEAERO CC(C)c1csc(CNC(=O)N2CC[C@@H]([NH+](C)C)C2)n1 ZINC000121790163 365614719 /nfs/dbraw/zinc/61/47/19/365614719.db2.gz AJBLAJCDNUEWTG-LLVKDONJSA-N 1 0 296.440 2.112 10 0 CEAERO COCC[N@@H+]1CC[C@]2(CCN2Cc2ccc(F)cc2)C1 ZINC000096076055 185090250 /nfs/dbraw/zinc/09/02/50/185090250.db2.gz AGIAZTUWNSBWFH-INIZCTEOSA-N 1 0 278.371 2.122 10 0 CEAERO c1cnc(N2C[C@H]3CCC[C@@H](C[NH+]4CCCC4)[C@H]3C2)cn1 ZINC000096081882 185090915 /nfs/dbraw/zinc/09/09/15/185090915.db2.gz SBVUKIUQTKMVHW-ARFHVFGLSA-N 1 0 286.423 2.425 10 0 CEAERO [NH3+][C@H](CCO)CSc1ccc(Br)cc1 ZINC000082988880 178332534 /nfs/dbraw/zinc/33/25/34/178332534.db2.gz BNPRVKAYHLMEOP-SECBINFHSA-N 1 0 276.199 2.251 10 0 CEAERO C[NH2+]CCc1cc(Br)c2c(c1)OCCCO2 ZINC000082954705 178330066 /nfs/dbraw/zinc/33/00/66/178330066.db2.gz QCWSIUSWJJIPET-UHFFFAOYSA-N 1 0 286.169 2.372 10 0 CEAERO COc1ccc(C[C@]2([NH3+])CCOC2)cc1Br ZINC000083186580 178352209 /nfs/dbraw/zinc/35/22/09/178352209.db2.gz AXKKPIKWOVSLCH-GFCCVEGCSA-N 1 0 286.169 2.118 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C)CN1CCc1ccccc1F ZINC000083383576 178386143 /nfs/dbraw/zinc/38/61/43/178386143.db2.gz LWWVYDCEPLHEQR-JSGCOSHPSA-N 1 0 250.361 2.441 10 0 CEAERO CC(C)CC[N@H+](C[C@@](O)(CN)c1ccccc1)C1CC1 ZINC000096837353 185116554 /nfs/dbraw/zinc/11/65/54/185116554.db2.gz UVMIEVMNMGBOHH-KRWDZBQOSA-N 1 0 276.424 2.343 10 0 CEAERO CCS(=O)(=O)c1ccc([C@H](C)CCC[NH3+])cc1 ZINC000096890956 185123576 /nfs/dbraw/zinc/12/35/76/185123576.db2.gz BHGAVGLIAKKBIB-LLVKDONJSA-N 1 0 255.383 2.323 10 0 CEAERO C[N@@H+]1CCC[C@H](NCc2nc3ccccc3[nH]2)CC1 ZINC000096889344 185123851 /nfs/dbraw/zinc/12/38/51/185123851.db2.gz KGUPCEVGPWVSDD-LBPRGKRZSA-N 1 0 258.369 2.137 10 0 CEAERO COc1cc(C(=O)C[NH2+]C2CC2)c(OC)cc1Cl ZINC000096889991 185124319 /nfs/dbraw/zinc/12/43/19/185124319.db2.gz YKFUAJPXXXVSEE-UHFFFAOYSA-N 1 0 269.728 2.292 10 0 CEAERO FC(F)(F)[C@@H]1CC[N@H+](Cc2ccccc2)CCN1 ZINC000096897572 185125339 /nfs/dbraw/zinc/12/53/39/185125339.db2.gz LRQZRBYSHHJXHA-LBPRGKRZSA-N 1 0 258.287 2.413 10 0 CEAERO [NH3+]CCCC(=O)Cc1ccc(Br)cc1 ZINC000096957554 185141000 /nfs/dbraw/zinc/14/10/00/185141000.db2.gz KDVADXKRFBSPEJ-UHFFFAOYSA-N 1 0 256.143 2.300 10 0 CEAERO CC[C@@H]1C[NH2+]C[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC000096958516 185141421 /nfs/dbraw/zinc/14/14/21/185141421.db2.gz BFJIDBFBHCQIRQ-RISCZKNCSA-N 1 0 254.374 2.243 10 0 CEAERO CCN1CC[NH2+]C[C@@H]1c1ccc(Br)o1 ZINC000083431229 178440921 /nfs/dbraw/zinc/44/09/21/178440921.db2.gz KCVIWPFPZIXRNN-MRVPVSSYSA-N 1 0 259.147 2.008 10 0 CEAERO COc1ccc(C)cc1[C@H](C)NC(=O)C1([NH3+])CCCC1 ZINC000037616405 361913011 /nfs/dbraw/zinc/91/30/11/361913011.db2.gz PBVMEMSCPIJSGN-LBPRGKRZSA-N 1 0 276.380 2.452 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000096958584 185142387 /nfs/dbraw/zinc/14/23/87/185142387.db2.gz UNWNLPIFWJPVTN-NWDGAFQWSA-N 1 0 254.374 2.386 10 0 CEAERO COc1ccc(-n2cncc2C2C[NH2+]C2)cc1Cl ZINC000097009409 185151880 /nfs/dbraw/zinc/15/18/80/185151880.db2.gz XUHYIQIXLSYPHA-UHFFFAOYSA-N 1 0 263.728 2.221 10 0 CEAERO C[C@]1(CNC(=O)C2CCC(C[NH3+])CC2)CCCS1 ZINC000097031771 185155039 /nfs/dbraw/zinc/15/50/39/185155039.db2.gz HYPVZQWKVIKAKV-ORHYLEIMSA-N 1 0 270.442 2.153 10 0 CEAERO Clc1ccc2c(c1)snc2N1CC[NH2+]CC1 ZINC000038954907 361986640 /nfs/dbraw/zinc/98/66/40/361986640.db2.gz FIOIXMFNRBMCOZ-UHFFFAOYSA-N 1 0 253.758 2.359 10 0 in-vitro CEAERO Cc1cc(NC[C@H]2CCS(=O)(=O)C2)c2ccccc2[nH+]1 ZINC000037982228 361971212 /nfs/dbraw/zinc/97/12/12/361971212.db2.gz GOBPKLGDJHZCBU-GFCCVEGCSA-N 1 0 290.388 2.390 10 0 CEAERO CCC[C@H]1CN(c2ccc(C(=O)OC)cc2)CC[NH2+]1 ZINC000039952532 361990211 /nfs/dbraw/zinc/99/02/11/361990211.db2.gz ZRGCVSXTIYMXNA-ZDUSSCGKSA-N 1 0 262.353 2.052 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]CC(C)(C)CO)c1C ZINC000122057082 539032859 /nfs/dbraw/zinc/03/28/59/539032859.db2.gz YPGSLOUJLPRGCD-JTQLQIEISA-N 1 0 253.390 2.189 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1cscc1C(F)(F)F ZINC000621657061 349653075 /nfs/dbraw/zinc/65/30/75/349653075.db2.gz BFRGZNOTVZFFIL-HZGVNTEJSA-N 1 0 278.299 2.329 10 0 CEAERO C[C@H](C[NH3+])[C@H](O)c1cscc1Br ZINC000307569514 539169444 /nfs/dbraw/zinc/16/94/44/539169444.db2.gz XLMYUCDVZKNSDH-XRGYYRRGSA-N 1 0 250.161 2.139 10 0 CEAERO Cc1nccc(CN[C@@H](C[NH+](C)C)c2ccccc2)n1 ZINC000054790119 282184370 /nfs/dbraw/zinc/18/43/70/282184370.db2.gz DBLIKTKVCRRGTN-INIZCTEOSA-N 1 0 270.380 2.178 10 0 CEAERO Cc1csc([C@@H](C)NC(=O)C2CCC([NH3+])CC2)n1 ZINC000080272779 539172487 /nfs/dbraw/zinc/17/24/87/539172487.db2.gz NNHIULIRXGKGEC-KPPDAEKUSA-N 1 0 267.398 2.146 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[C@@H]2CCCC[C@@H]21 ZINC000226573662 539172763 /nfs/dbraw/zinc/17/27/63/539172763.db2.gz RQWYVFLDCXDJGI-XUXIUFHCSA-N 1 0 250.386 2.166 10 0 CEAERO [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000246567515 539183837 /nfs/dbraw/zinc/18/38/37/539183837.db2.gz USSZHAHCXGDASO-ZJIFWQFVSA-N 1 0 272.392 2.424 10 0 CEAERO Cc1cc(CN2CC[N@@H+]3CCCC[C@H]3C2)sn1 ZINC000404492859 539203820 /nfs/dbraw/zinc/20/38/20/539203820.db2.gz CPORFOCUEONDJL-LBPRGKRZSA-N 1 0 251.399 2.122 10 0 CEAERO CCCC[C@H](C[NH3+])Nc1cc(OCC)nc(C)n1 ZINC000130543845 539206264 /nfs/dbraw/zinc/20/62/64/539206264.db2.gz RYHBGVBQOFQOFR-LLVKDONJSA-N 1 0 252.362 2.113 10 0 CEAERO CC1(C)[C@H]([NH2+]CC2(CO)CCCCC2)[C@H]2CCO[C@@H]21 ZINC000124794324 539210138 /nfs/dbraw/zinc/21/01/38/539210138.db2.gz ODAUXHXYUSKNJZ-MCIONIFRSA-N 1 0 267.413 2.332 10 0 CEAERO CC[C@@]1(N)C[NH2+]C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000725262802 539211726 /nfs/dbraw/zinc/21/17/26/539211726.db2.gz RZDHXEUOPAANJN-NWDGAFQWSA-N 1 0 258.287 2.500 10 0 CEAERO O=C(CC1CC1)N1CC[C@@H]2CC[C@]21[C@H]1CCC[NH2+]C1 ZINC000725263417 539212061 /nfs/dbraw/zinc/21/20/61/539212061.db2.gz CVSDMEIKLYBZHR-OFQRWUPVSA-N 1 0 262.397 2.167 10 0 CEAERO CC1(C(=O)N2CCCc3cc(CC[NH3+])ccc32)CC1 ZINC000725264970 539213156 /nfs/dbraw/zinc/21/31/56/539213156.db2.gz DPZXKJJXQWFMAH-UHFFFAOYSA-N 1 0 258.365 2.267 10 0 CEAERO CCCCS(=O)(=O)Nc1cccc2c1CC[C@H]2[NH3+] ZINC000725270623 539215234 /nfs/dbraw/zinc/21/52/34/539215234.db2.gz BZAORVMQRIJIGH-GFCCVEGCSA-N 1 0 268.382 2.174 10 0 CEAERO Cc1noc(C)c1[C@@H](C)[NH2+]C[C@@H](O)COC(C)(C)C ZINC000092339408 539231007 /nfs/dbraw/zinc/23/10/07/539231007.db2.gz BFDCCPSEFHYXBA-BXKDBHETSA-N 1 0 270.373 2.118 10 0 CEAERO CCC(CC)NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247404184 282204499 /nfs/dbraw/zinc/20/44/99/282204499.db2.gz POBYLCGZACHLCV-DGCLKSJQSA-N 1 0 253.390 2.053 10 0 CEAERO C[C@H]1CN(CCSc2ccc(F)cc2)C[C@H]1[NH3+] ZINC000300046861 539268477 /nfs/dbraw/zinc/26/84/77/539268477.db2.gz ARAWXSSYAYHBMF-GXFFZTMASA-N 1 0 254.374 2.197 10 0 CEAERO C[C@H]([NH3+])c1noc(-c2ccc(Br)o2)n1 ZINC000041052185 362014508 /nfs/dbraw/zinc/01/45/08/362014508.db2.gz SBOXQBCWYILPJT-BYPYZUCNSA-N 1 0 258.075 2.112 10 0 CEAERO Cc1nccnc1NC[C@H]1[NH2+]CCc2ccccc21 ZINC000261589461 282220542 /nfs/dbraw/zinc/22/05/42/282220542.db2.gz KTXPMXZHWYFRHR-CQSZACIVSA-N 1 0 254.337 2.084 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)[C@H]1CCSC1 ZINC000126734488 365721370 /nfs/dbraw/zinc/72/13/70/365721370.db2.gz MGKLOAMJAAVUFA-KGLIPLIRSA-N 1 0 299.484 2.254 10 0 CEAERO N[C@@H](C[NH3+])c1ccc(OC(F)(F)F)c(Cl)c1 ZINC000044470574 362153605 /nfs/dbraw/zinc/15/36/05/362153605.db2.gz XOMPISFHVCAGSJ-ZETCQYMHSA-N 1 0 254.639 2.197 10 0 CEAERO C[NH+](C)[C@@H]1CCCC[C@H]1OC(=O)c1ccc(N)cc1O ZINC000033875449 343418260 /nfs/dbraw/zinc/41/82/60/343418260.db2.gz DYZKHUPHFRSPBJ-TZMCWYRMSA-N 1 0 278.352 2.004 10 0 CEAERO O=C(CC[NH2+]C1CC1)N[C@@H]1CCCc2ccccc21 ZINC000037612403 343429225 /nfs/dbraw/zinc/42/92/25/343429225.db2.gz SWLZKAULYQULQA-OAHLLOKOSA-N 1 0 258.365 2.322 10 0 CEAERO CC(=O)Nc1ccc(NC(=O)C2CCC([NH3+])CC2)cc1 ZINC000037623311 343430437 /nfs/dbraw/zinc/43/04/37/343430437.db2.gz XZGDKLPGKROWDJ-UHFFFAOYSA-N 1 0 275.352 2.101 10 0 CEAERO C[C@H]1C[N@H+](Cc2ccccc2N2CCOCC2)CCS1 ZINC000131406255 136389137 /nfs/dbraw/zinc/38/91/37/136389137.db2.gz MHBAHTDGNPGXEG-AWEZNQCLSA-N 1 0 292.448 2.461 10 0 CEAERO C[C@H](CCC[NH3+])Nc1cncc(Br)c1 ZINC000336682885 365758203 /nfs/dbraw/zinc/75/82/03/365758203.db2.gz ISRYKCSYRBWGRJ-MRVPVSSYSA-N 1 0 258.163 2.383 10 0 CEAERO COc1ccccc1CN(C)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054291222 343587388 /nfs/dbraw/zinc/58/73/88/343587388.db2.gz HKESQXGSZWKJJS-ZDUSSCGKSA-N 1 0 276.380 2.043 10 0 CEAERO Cc1ccccc1C[C@H](C)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054307596 343587396 /nfs/dbraw/zinc/58/73/96/343587396.db2.gz IFVVJPQUQSZLCT-LSDHHAIUSA-N 1 0 274.408 2.432 10 0 CEAERO CC(C)(C)c1cc(NC(=O)C[C@@H]2CCC[NH2+]C2)n[nH]1 ZINC000228347239 539337521 /nfs/dbraw/zinc/33/75/21/539337521.db2.gz QAYMURRCDKIAOH-JTQLQIEISA-N 1 0 264.373 2.035 10 0 CEAERO COc1cc(C)c(C[N@@H+]2CC[C@H](CCO)C2)cc1OC ZINC000128037619 187347346 /nfs/dbraw/zinc/34/73/46/187347346.db2.gz IETFAFXLEVEXKV-CYBMUJFWSA-N 1 0 279.380 2.217 10 0 CEAERO COc1cc(N2CCC([NH2+]C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000114002853 344278867 /nfs/dbraw/zinc/27/88/67/344278867.db2.gz NVISLOJSTZYUGZ-UHFFFAOYSA-N 1 0 291.351 2.324 10 0 CEAERO C[NH2+]C[C@H]1OCCc2cc(Br)sc21 ZINC000117841974 344290375 /nfs/dbraw/zinc/29/03/75/344290375.db2.gz WBWIZZNDPKHYTO-SSDOTTSWSA-N 1 0 262.172 2.344 10 0 CEAERO C[C@@H]([NH3+])[C@@H](O)c1cc(Br)c(Br)o1 ZINC000129039365 344340009 /nfs/dbraw/zinc/34/00/09/344340009.db2.gz JEVIPJVYUJTVNJ-AWFVSMACSA-N 1 0 298.962 2.185 10 0 CEAERO CCCC[C@@H](C[NH3+])Nc1cncc(OC(C)C)n1 ZINC000130592384 344353813 /nfs/dbraw/zinc/35/38/13/344353813.db2.gz XKIVRCNOQQGNKT-NSHDSACASA-N 1 0 252.362 2.193 10 0 CEAERO C[C@@]1(C(=O)Nc2cccc3ccncc32)CCC[NH2+]1 ZINC000131149599 344356667 /nfs/dbraw/zinc/35/66/67/344356667.db2.gz ZCCZHKXJVWPBRS-HNNXBMFYSA-N 1 0 255.321 2.315 10 0 CEAERO [NH3+][C@@H]1CC[C@H](C(=O)Nc2cccc3ccncc32)C1 ZINC000131158206 344356933 /nfs/dbraw/zinc/35/69/33/344356933.db2.gz PYKVQZPQJFDVQK-NWDGAFQWSA-N 1 0 255.321 2.301 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1Oc1ncccc1Br ZINC000131582937 344358772 /nfs/dbraw/zinc/35/87/72/344358772.db2.gz KHNXKKJCRCERMP-BDAKNGLRSA-N 1 0 257.131 2.103 10 0 CEAERO CCOCC[N@@H+]1CCN(Cc2cccc(OC)c2)C[C@@H]1C ZINC000155091268 344436908 /nfs/dbraw/zinc/43/69/08/344436908.db2.gz ZEYDMJFUHOWWOT-HNNXBMFYSA-N 1 0 292.423 2.238 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]Cc2ccccc2OC(C)C)C1 ZINC000134435671 344374346 /nfs/dbraw/zinc/37/43/46/344374346.db2.gz DVCLDKATIWDSAI-INIZCTEOSA-N 1 0 292.423 2.284 10 0 CEAERO [NH3+][C@H]1CCC[C@@H](C(=O)N2CC[C@@H]3CCCC[C@@H]32)C1 ZINC000135260479 344380781 /nfs/dbraw/zinc/38/07/81/344380781.db2.gz RCLNHZNGHHHPBI-CRWXNKLISA-N 1 0 250.386 2.295 10 0 CEAERO [NH3+]CCCNc1c(F)cc(F)cc1Br ZINC000135269665 344381085 /nfs/dbraw/zinc/38/10/85/344381085.db2.gz ZXEUWPACPALFNI-UHFFFAOYSA-N 1 0 265.101 2.488 10 0 CEAERO C[C@@H](Cc1ccccc1F)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000158682199 344451789 /nfs/dbraw/zinc/45/17/89/344451789.db2.gz KJFFUAQFLRYVNH-JSGCOSHPSA-N 1 0 278.371 2.167 10 0 CEAERO CC(C)([NH3+])[C@@H](O)c1ccc(Br)c(F)c1 ZINC000161487345 344464291 /nfs/dbraw/zinc/46/42/91/344464291.db2.gz IWECJBIUSHGXFU-VIFPVBQESA-N 1 0 262.122 2.359 10 0 CEAERO C[N@@H+]1CCCC[C@H]1CCc1ccccc1NS(C)(=O)=O ZINC000165425453 344474519 /nfs/dbraw/zinc/47/45/19/344474519.db2.gz DSYUMUBBEYIOCA-AWEZNQCLSA-N 1 0 296.436 2.475 10 0 CEAERO C[N@@H+]1CC[C@@H](CNc2cncc(Br)c2)C1 ZINC000168224173 344479761 /nfs/dbraw/zinc/47/97/61/344479761.db2.gz MUXAGEGJGSWMGR-VIFPVBQESA-N 1 0 270.174 2.208 10 0 CEAERO C[C@@]1(O)CCN(Cc2ccccc2F)C[C@H]1[NH+]1CCCC1 ZINC000169793280 344482966 /nfs/dbraw/zinc/48/29/66/344482966.db2.gz WJONJOASPWTMND-IAGOWNOFSA-N 1 0 292.398 2.247 10 0 CEAERO CCC1CCC(NC(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000170832308 344491050 /nfs/dbraw/zinc/49/10/50/344491050.db2.gz LWVOCSHCUGHPLW-JXQTWKCFSA-N 1 0 267.417 2.301 10 0 CEAERO C[C@@H](CCc1ccccc1)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170861694 344491631 /nfs/dbraw/zinc/49/16/31/344491631.db2.gz SKUWVWJLOVHCKL-HOCLYGCPSA-N 1 0 289.423 2.353 10 0 CEAERO C[C@@H](CCc1ccccc1)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170861699 344491651 /nfs/dbraw/zinc/49/16/51/344491651.db2.gz SKUWVWJLOVHCKL-GOEBONIOSA-N 1 0 289.423 2.353 10 0 CEAERO CCOc1ccccc1CCC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170859621 344491712 /nfs/dbraw/zinc/49/17/12/344491712.db2.gz VYTYYCQRLMFCNQ-HNNXBMFYSA-N 1 0 290.407 2.180 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)[C@]2(C)CCCc3ccccc32)C1 ZINC000170868200 344491810 /nfs/dbraw/zinc/49/18/10/344491810.db2.gz ZKZGGVDAHBDZPL-MAUKXSAKSA-N 1 0 286.419 2.443 10 0 CEAERO C[C@H](CCc1ccccc1)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170861697 344492083 /nfs/dbraw/zinc/49/20/83/344492083.db2.gz SKUWVWJLOVHCKL-ZBFHGGJFSA-N 1 0 289.423 2.353 10 0 CEAERO c1ccc(CNC2=[NH+]C3(CS2)CCOCC3)cc1 ZINC000230731867 344573635 /nfs/dbraw/zinc/57/36/35/344573635.db2.gz UHTFDJSNEXVEKD-UHFFFAOYSA-N 1 0 262.378 2.428 10 0 CEAERO [NH3+]CCCc1n[nH]c2cc(Br)ccc21 ZINC000215298301 344533807 /nfs/dbraw/zinc/53/38/07/344533807.db2.gz REIPYJXETKZCGD-UHFFFAOYSA-N 1 0 254.131 2.217 10 0 CEAERO OC[C@@]1(Cc2cc(Br)cs2)CCC[NH2+]1 ZINC000215649927 344534286 /nfs/dbraw/zinc/53/42/86/344534286.db2.gz UUWUMLXYOFBOOR-JTQLQIEISA-N 1 0 276.199 2.168 10 0 CEAERO C[C@H](Nc1ncnc2ccsc21)[C@H]1CCC[NH2+]C1 ZINC000050163935 362407247 /nfs/dbraw/zinc/40/72/47/362407247.db2.gz UFRLTLGIJPCTQR-UWVGGRQHSA-N 1 0 262.382 2.491 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCc2ccccc2C1 ZINC000223549746 344542950 /nfs/dbraw/zinc/54/29/50/344542950.db2.gz VYNJEANWOPWJSZ-CVEARBPZSA-N 1 0 272.392 2.131 10 0 CEAERO CCc1ccc(N[N+]2=C(C)N(C)[C@H](NC)C=C2)cc1 ZINC000223583198 344543309 /nfs/dbraw/zinc/54/33/09/344543309.db2.gz HEWYJRCSDQIOPK-HNNXBMFYSA-N 1 0 259.377 2.011 10 0 CEAERO O=S(=O)(c1ccccc1)[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000225857661 344547875 /nfs/dbraw/zinc/54/78/75/344547875.db2.gz XTQHUBLMZGEUDN-JKSUJKDBSA-N 1 0 287.384 2.216 10 0 CEAERO [NH3+][C@@H]1CN(Cc2ccccc2)C[C@H]1[C@H]1CCCCO1 ZINC000225874779 344547889 /nfs/dbraw/zinc/54/78/89/344547889.db2.gz IZMCMZQESIQXER-BZUAXINKSA-N 1 0 260.381 2.015 10 0 CEAERO CCS[C@@H]1CCC[C@@H]1NC(=O)C[C@@H]([NH3+])C(C)C ZINC000225813075 344548067 /nfs/dbraw/zinc/54/80/67/344548067.db2.gz JWXCGZOWNQZPDG-GRYCIOLGSA-N 1 0 258.431 2.150 10 0 CEAERO C[C@@H]1CCC[C@@](C[NH2+][C@@H]2CCCC[C@H]2O)(N(C)C)C1 ZINC000226226990 344548409 /nfs/dbraw/zinc/54/84/09/344548409.db2.gz CLXKXEXOWISDTA-KLHDSHLOSA-N 1 0 268.445 2.390 10 0 CEAERO [NH3+]Cc1cc(Br)cnc1OC1CCC1 ZINC000051521774 362430658 /nfs/dbraw/zinc/43/06/58/362430658.db2.gz NLXSXCOOHRUYAA-UHFFFAOYSA-N 1 0 257.131 2.234 10 0 CEAERO COC[C@@H]([NH3+])c1c(F)ccc(Br)c1F ZINC000234692047 344587273 /nfs/dbraw/zinc/58/72/73/344587273.db2.gz BQZFWJHCDBLNCW-SSDOTTSWSA-N 1 0 266.085 2.374 10 0 CEAERO O=C1NCCC[C@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000050393879 362417093 /nfs/dbraw/zinc/41/70/93/362417093.db2.gz NRIIOLHKGAOTHJ-LLVKDONJSA-N 1 0 272.270 2.074 10 0 CEAERO O[C@H]1CCCC[C@H]1[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000051991121 362455384 /nfs/dbraw/zinc/45/53/84/362455384.db2.gz VRURDNKGZSVWBI-CVEARBPZSA-N 1 0 271.364 2.265 10 0 CEAERO Cc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1CCCO ZINC000052762131 362474201 /nfs/dbraw/zinc/47/42/01/362474201.db2.gz JIDDCYOUWCGFOZ-CQSZACIVSA-N 1 0 276.380 2.170 10 0 CEAERO C[NH2+][C@@H]1CCCN(c2nc3ccccc3nc2C)C1 ZINC000053205003 362488215 /nfs/dbraw/zinc/48/82/15/362488215.db2.gz UUGIRIVTQNPEFW-GFCCVEGCSA-N 1 0 256.353 2.126 10 0 CEAERO C[C@@H]1CC[C@H](NC(=O)C[C@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000252115452 344638691 /nfs/dbraw/zinc/63/86/91/344638691.db2.gz KDTWXTFSZGBDFJ-SYQHCUMBSA-N 1 0 252.402 2.317 10 0 CEAERO [NH3+]C[C@]12CCC[C@H]1CN(c1nnc(C(F)(F)F)s1)C2 ZINC000388766848 539398958 /nfs/dbraw/zinc/39/89/58/539398958.db2.gz ONQAICCNZGYOTI-XVKPBYJWSA-N 1 0 292.330 2.122 10 0 CEAERO C/C(=C/c1ncc(I)s1)[C@H](C)[NH3+] ZINC000308122014 344725810 /nfs/dbraw/zinc/72/58/10/344725810.db2.gz RBBDOEGCSMVZMT-LMXCLXGDSA-N 1 0 294.161 2.498 10 0 CEAERO C[C@@H]1CCC[C@H](NC(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000300572645 344700514 /nfs/dbraw/zinc/70/05/14/344700514.db2.gz MFVJZSLDXAAACS-MCIONIFRSA-N 1 0 252.402 2.461 10 0 CEAERO CS[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COCc2ccco2)C1 ZINC000300673916 344701535 /nfs/dbraw/zinc/70/15/35/344701535.db2.gz QOJBDVFYZSDDIR-VNHYZAJKSA-N 1 0 299.436 2.421 10 0 CEAERO [NH3+][C@H](C[C@H]1CCOC1)c1ccc(Br)o1 ZINC000306591805 344715059 /nfs/dbraw/zinc/71/50/59/344715059.db2.gz VUSOKYSSVQNKEI-HTQZYQBOSA-N 1 0 260.131 2.469 10 0 CEAERO C[C@H]1C[NH2+][C@@]2(CCN(C(=O)OC(C)(C)C)C2)S1 ZINC000306586128 344715162 /nfs/dbraw/zinc/71/51/62/344715162.db2.gz RDBUOXUHBWPXHS-CABZTGNLSA-N 1 0 258.387 2.048 10 0 CEAERO [NH3+][C@H]1C[C@H]1c1c(Br)cncc1Br ZINC000306740282 344716754 /nfs/dbraw/zinc/71/67/54/344716754.db2.gz BUHKEUZHGOPCDE-FBCQKBJTSA-N 1 0 291.974 2.421 10 0 CEAERO C[NH+](C)CCC(=O)Nc1cccc(Br)c1 ZINC000306882504 344718541 /nfs/dbraw/zinc/71/85/41/344718541.db2.gz NNIVGDXDMQUVQZ-UHFFFAOYSA-N 1 0 271.158 2.339 10 0 CEAERO C[C@H](NC(N)=[NH2+])c1ccc(Br)cc1F ZINC000306910704 344718941 /nfs/dbraw/zinc/71/89/41/344718941.db2.gz PXFHFUVEXPZBEJ-YFKPBYRVSA-N 1 0 260.110 2.132 10 0 CEAERO C[N@H+](C[C@@H]1CCc2nccn2C1)[C@@H]1Cc2ccccc2[C@H]1O ZINC000328631955 344757190 /nfs/dbraw/zinc/75/71/90/344757190.db2.gz LAMBRAYMYNYIRA-FDQGKXFDSA-N 1 0 297.402 2.036 10 0 CEAERO C[N@@H+](Cc1cccc2c[nH]nc21)C[C@H]1CCc2nccn2C1 ZINC000328634040 344757623 /nfs/dbraw/zinc/75/76/23/344757623.db2.gz MKUOHZJSCLYNEK-CYBMUJFWSA-N 1 0 295.390 2.454 10 0 CEAERO CCc1nc(CN(C)C(=O)[C@H]2CCC[C@@H]([NH3+])C2)cs1 ZINC000328298807 344755174 /nfs/dbraw/zinc/75/51/74/344755174.db2.gz CXFIAPOVLIIKFU-WDEREUQCSA-N 1 0 281.425 2.181 10 0 CEAERO [NH3+][C@H](Cc1ccc(Br)s1)[C@@H]1CCOC1 ZINC000083716376 178722899 /nfs/dbraw/zinc/72/28/99/178722899.db2.gz AOEPABWGSOMPBJ-VXNVDRBHSA-N 1 0 276.199 2.417 10 0 CEAERO [NH3+]C[C@]12CCC[C@H]1CN(c1c(F)cccc1[N+](=O)[O-])C2 ZINC000380451693 344823027 /nfs/dbraw/zinc/82/30/27/344823027.db2.gz NPEWQFBDNZSUTH-HZMBPMFUSA-N 1 0 279.315 2.299 10 0 CEAERO [NH3+]C1CCC(C(=O)Nc2cnn(Cc3ccccc3)c2)CC1 ZINC000381848428 344825383 /nfs/dbraw/zinc/82/53/83/344825383.db2.gz RXHPFEFQBKAHLY-UHFFFAOYSA-N 1 0 298.390 2.387 10 0 CEAERO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCN(CCO)C2)C1 ZINC000384561316 344828630 /nfs/dbraw/zinc/82/86/30/344828630.db2.gz KBFMIQZQIHRIQO-QLFBSQMISA-N 1 0 254.418 2.002 10 0 CEAERO CCOC(=O)CC[C@H](O)C[NH2+]C1CCC(CC)CC1 ZINC000385434741 344830352 /nfs/dbraw/zinc/83/03/52/344830352.db2.gz OMQCGYAJDKJOFT-RUXDESIVSA-N 1 0 271.401 2.249 10 0 CEAERO C[NH2+]CCCc1ccc(I)cc1 ZINC000083851385 178753947 /nfs/dbraw/zinc/75/39/47/178753947.db2.gz LKSVZOWNGDGBQJ-UHFFFAOYSA-N 1 0 275.133 2.443 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+][C@@H]2CO[C@H](C)C2)c1C ZINC000402280786 344872182 /nfs/dbraw/zinc/87/21/82/344872182.db2.gz FZROYFMIGJBADW-NRUUGDAUSA-N 1 0 251.374 2.348 10 0 CEAERO CCC[C@@](C[NH3+])(C(=O)OCC)c1cccc(OC)c1 ZINC000584595468 344961085 /nfs/dbraw/zinc/96/10/85/344961085.db2.gz YGDDAVYDQVEEPG-HNNXBMFYSA-N 1 0 265.353 2.255 10 0 CEAERO CC[NH+](CC)CCN(C)N[C@@H](C)Cc1ccccc1 ZINC000584601717 344962987 /nfs/dbraw/zinc/96/29/87/344962987.db2.gz MVYDUHOBDUCMIS-HNNXBMFYSA-N 1 0 263.429 2.396 10 0 CEAERO C[NH2+][C@H]1CCN2CCc3c4ccccc4[nH]c3[C@H]2C1 ZINC000584605695 344964080 /nfs/dbraw/zinc/96/40/80/344964080.db2.gz BSLOAXMBORIDEA-XHDPSFHLSA-N 1 0 255.365 2.449 10 0 CEAERO CN(C)CC[NH2+]Cc1cc2ccc(Cl)cc2[nH]1 ZINC000584605663 344964268 /nfs/dbraw/zinc/96/42/68/344964268.db2.gz AEDWAFLTFWEVQA-UHFFFAOYSA-N 1 0 251.761 2.473 10 0 CEAERO C[NH+](C)CCCN1C(=O)CC2(CC1=O)CCCCCC2 ZINC000584630969 344969146 /nfs/dbraw/zinc/96/91/46/344969146.db2.gz FMWZIADWJUQIIG-UHFFFAOYSA-N 1 0 280.412 2.428 10 0 CEAERO O=C1c2ccccc2C(=O)N1CCC[C@H]1CCC[NH2+]C1 ZINC000584645497 344972675 /nfs/dbraw/zinc/97/26/75/344972675.db2.gz RKKBRZVRLRNWNJ-GFCCVEGCSA-N 1 0 272.348 2.062 10 0 CEAERO [NH3+]C1(CC(=O)OC[C@@H]2CCCCO2)CCCCC1 ZINC000084148262 178804096 /nfs/dbraw/zinc/80/40/96/178804096.db2.gz HFLDBESHZLXIAV-LBPRGKRZSA-N 1 0 255.358 2.150 10 0 CEAERO CC[N@H+](C)CCNc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000054128113 362513885 /nfs/dbraw/zinc/51/38/85/362513885.db2.gz YJFOTJSULPZEKM-UHFFFAOYSA-N 1 0 292.351 2.047 10 0 CEAERO CC[NH2+]CCNc1ncnc2sc(CC)cc21 ZINC000054267351 362521605 /nfs/dbraw/zinc/52/16/05/362521605.db2.gz BAXLXBUYSXTGPT-UHFFFAOYSA-N 1 0 250.371 2.275 10 0 CEAERO CC[NH2+][C@@H]1CCCN(Cc2ccccc2CC)C1=O ZINC000084208660 178825957 /nfs/dbraw/zinc/82/59/57/178825957.db2.gz ARVUUPSEQRETNW-OAHLLOKOSA-N 1 0 260.381 2.350 10 0 CEAERO CN(c1ncccc1Br)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084214172 178826510 /nfs/dbraw/zinc/82/65/10/178826510.db2.gz SYQOJTLOOWWCBJ-MWLCHTKSSA-N 1 0 284.201 2.408 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1S(=O)(=O)C1CCCCC1 ZINC000084271590 178838148 /nfs/dbraw/zinc/83/81/48/178838148.db2.gz KHMNCYGURVRIFB-WCQYABFASA-N 1 0 259.415 2.251 10 0 CEAERO Cc1ccc(C)c(S(=O)(=O)[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000084268265 178835351 /nfs/dbraw/zinc/83/53/51/178835351.db2.gz FTXRCPUPHUZRMP-CHWSQXEVSA-N 1 0 267.394 2.205 10 0 CEAERO [NH3+][C@H](c1ccc2c(c1)OCCO2)[C@@H]1CCSC1 ZINC000097077887 185521820 /nfs/dbraw/zinc/52/18/20/185521820.db2.gz KOPMVZLYLZNFHE-ZWNOBZJWSA-N 1 0 251.351 2.211 10 0 CEAERO O[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000229286231 539462071 /nfs/dbraw/zinc/46/20/71/539462071.db2.gz CGWBWSOUFAOBOB-BFHYXJOUSA-N 1 0 253.386 2.371 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)COC2CC[NH2+]CC2)c(C)c1 ZINC000111796052 232198637 /nfs/dbraw/zinc/19/86/37/232198637.db2.gz GXKLYJCWYIPAMD-AWEZNQCLSA-N 1 0 290.407 2.249 10 0 CEAERO C[C@@H](C[C@@](C)([NH2+]C1CC1)C(N)=O)Oc1cc(F)cc(F)c1 ZINC000084397134 178882246 /nfs/dbraw/zinc/88/22/46/178882246.db2.gz FULDFSZZHNZDLX-BJOHPYRUSA-N 1 0 298.333 2.118 10 0 CEAERO CN(CC[N@H+](C)CCO)Cc1ccc(Cl)cc1Cl ZINC000623091551 349935375 /nfs/dbraw/zinc/93/53/75/349935375.db2.gz HSEHCLFHQYKREF-UHFFFAOYSA-N 1 0 291.222 2.349 10 0 CEAERO CC[C@H](C)n1ccc(C[C@@H]([NH3+])[C@@H]2CCSC2)n1 ZINC000097225084 185567354 /nfs/dbraw/zinc/56/73/54/185567354.db2.gz WIUCLVMKUGMZMX-DMDPSCGWSA-N 1 0 253.415 2.477 10 0 CEAERO CC[NH2+][C@@H](COC(C)(C)C)Cc1cc(C)nn1C ZINC000097273137 185575408 /nfs/dbraw/zinc/57/54/08/185575408.db2.gz YNGCMDPDDIETEF-GFCCVEGCSA-N 1 0 253.390 2.064 10 0 CEAERO C[NH2+][C@H](CCC[C@H]1CCCO1)c1snnc1C ZINC000097234796 185570055 /nfs/dbraw/zinc/57/00/55/185570055.db2.gz KQROJHHWLNZPQB-WDEREUQCSA-N 1 0 255.387 2.456 10 0 CEAERO Cc1nn(C)c(C)c1C[C@H]([NH3+])CCC[C@@H]1CCCO1 ZINC000097235674 185570133 /nfs/dbraw/zinc/57/01/33/185570133.db2.gz GCMLHXMBDVCXOB-ZIAGYGMSSA-N 1 0 265.401 2.256 10 0 CEAERO Cc1nn(C)c(C)c1C[C@H]([NH3+])[C@@H]1CCCc2cccnc21 ZINC000097303120 185581106 /nfs/dbraw/zinc/58/11/06/185581106.db2.gz RSJJKKQGBLXJOO-HOCLYGCPSA-N 1 0 284.407 2.422 10 0 CEAERO C[NH2+][C@H](COC(C)(C)C)Cc1c(Cl)c(C)nn1C ZINC000097273712 185575941 /nfs/dbraw/zinc/57/59/41/185575941.db2.gz YMMWHEQGUCMYJJ-JTQLQIEISA-N 1 0 273.808 2.328 10 0 CEAERO C[NH2+][C@@H](Cc1cc(C)nn1C)c1ccc(C)nc1C ZINC000097273239 185576152 /nfs/dbraw/zinc/57/61/52/185576152.db2.gz WRDZHFVFFAYSCZ-HNNXBMFYSA-N 1 0 258.369 2.244 10 0 CEAERO CC[NH2+][C@H](Cc1ncnn1C)[C@H]1Cc2ccccc2S1 ZINC000097275399 185577242 /nfs/dbraw/zinc/57/72/42/185577242.db2.gz HKZOTZZHILPSIQ-TZMCWYRMSA-N 1 0 288.420 2.053 10 0 CEAERO CCC[NH2+][C@H](CCOCCC)Cc1ncnn1CC ZINC000097280301 185577865 /nfs/dbraw/zinc/57/78/65/185577865.db2.gz KHDGAFDBCOQLLL-CYBMUJFWSA-N 1 0 268.405 2.025 10 0 CEAERO CC[NH2+][C@H](COC(C)C)Cc1cc(C)nn1CC ZINC000097281682 185578489 /nfs/dbraw/zinc/57/84/89/185578489.db2.gz PUIAMIOFXDWXOV-ZDUSSCGKSA-N 1 0 253.390 2.157 10 0 CEAERO Cc1cc([C@H]([NH3+])[C@@H]2CCOC3(CCC3)C2)c(C)nn1 ZINC000097306717 185582413 /nfs/dbraw/zinc/58/24/13/185582413.db2.gz QASXOJGZUCMJEY-TZMCWYRMSA-N 1 0 261.369 2.443 10 0 CEAERO COCCC[N@H+](CCOC)C[C@@H]1C(=O)C[C@@H](C)C[C@@H]1C ZINC000084939768 178932500 /nfs/dbraw/zinc/93/25/00/178932500.db2.gz HUHJCSNCPUAIAD-KKUMJFAQSA-N 1 0 285.428 2.223 10 0 CEAERO C[C@H]1CC[C@@H](NC(=O)C[NH2+]C2CCCC2)C[C@@H]1C ZINC000085058448 178944998 /nfs/dbraw/zinc/94/49/98/178944998.db2.gz PZQDZSPIZYAHPF-SGMGOOAPSA-N 1 0 252.402 2.460 10 0 CEAERO CC[C@@]1(C)C[C@@](CC(=O)OC)(C(C)(C)[NH3+])CCO1 ZINC000097433803 185603384 /nfs/dbraw/zinc/60/33/84/185603384.db2.gz FWKZYVCQQBTKRB-UONOGXRCSA-N 1 0 257.374 2.252 10 0 CEAERO CC[C@H]([NH3+])[C@@](C)(CCO)Cc1ccc(OC)cc1 ZINC000097435200 185603453 /nfs/dbraw/zinc/60/34/53/185603453.db2.gz JULHITDATVBCHK-GJZGRUSLSA-N 1 0 251.370 2.364 10 0 CEAERO O=C1NCCCC[C@H]1[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000085128537 178953205 /nfs/dbraw/zinc/95/32/05/178953205.db2.gz BAJVAWCPQROLHN-GARJFASQSA-N 1 0 278.318 2.366 10 0 CEAERO COC(=O)C[C@@H](c1ccnc2ccccc21)[C@H](C)[NH3+] ZINC000097430938 185601271 /nfs/dbraw/zinc/60/12/71/185601271.db2.gz GZQGBVZUJBAKNK-GXFFZTMASA-N 1 0 258.321 2.229 10 0 CEAERO CCOc1ccccc1[C@](C)(CC(=O)OC)[C@H](C)[NH3+] ZINC000097431289 185601744 /nfs/dbraw/zinc/60/17/44/185601744.db2.gz JWFBAJZZQPURAT-XHDPSFHLSA-N 1 0 265.353 2.253 10 0 CEAERO FC(F)(F)[C@H]1CCCC[C@H]1[NH2+]CCN1CCOCC1 ZINC000085132697 178954775 /nfs/dbraw/zinc/95/47/75/178954775.db2.gz RETPOLIEHAKOBQ-NWDGAFQWSA-N 1 0 280.334 2.029 10 0 CEAERO C[NH2+][C@H](c1ccnn1C)[C@H]1CC(C)(C)OC1(C)C ZINC000097460072 185610624 /nfs/dbraw/zinc/61/06/24/185610624.db2.gz HLJBUROCOJBEIE-PWSUYJOCSA-N 1 0 251.374 2.274 10 0 CEAERO C[NH2+]Cc1ccc(CN2CCN(C)c3ccccc32)nc1 ZINC000094758594 136514556 /nfs/dbraw/zinc/51/45/56/136514556.db2.gz LSHRPVRMZQXLDJ-UHFFFAOYSA-N 1 0 282.391 2.257 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1c1ncnc2c1CCCCC2 ZINC000094888087 136514919 /nfs/dbraw/zinc/51/49/19/136514919.db2.gz KKLFEXLGSRDWJH-LBPRGKRZSA-N 1 0 260.385 2.063 10 0 CEAERO CCN(CC(F)(F)F)[C@@H](C)C[C@@](C)(CO)[NH2+]C(C)C ZINC000085241594 178981729 /nfs/dbraw/zinc/98/17/29/178981729.db2.gz UYUJTLSFUSDHLJ-RYUDHWBXSA-N 1 0 284.366 2.398 10 0 CEAERO COCCCCC[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000178310672 232370192 /nfs/dbraw/zinc/37/01/92/232370192.db2.gz DGFSPZUXOJBWPJ-HNNXBMFYSA-N 1 0 265.401 2.473 10 0 CEAERO Cc1nnc(N[C@H](CCC[NH3+])c2ccccc2)nc1C ZINC000312307280 201905117 /nfs/dbraw/zinc/90/51/17/201905117.db2.gz AUKXAYQTRPZVDZ-CQSZACIVSA-N 1 0 271.368 2.381 10 0 CEAERO CCC(C)(C)c1ccc(OC[C@](C)([NH3+])CO)cc1 ZINC000085284490 179001910 /nfs/dbraw/zinc/00/19/10/179001910.db2.gz MBABANUHWAKGFR-OAHLLOKOSA-N 1 0 251.370 2.463 10 0 CEAERO CCc1ccc(OCC[C@@H](CO)[NH2+]C(C)C)cc1 ZINC000085284131 179002104 /nfs/dbraw/zinc/00/21/04/179002104.db2.gz LOKDNAOBMWAIMB-AWEZNQCLSA-N 1 0 251.370 2.377 10 0 CEAERO CC[NH2+][C@@](C)(CO)C[C@@H](C)Oc1cccc(OC)c1 ZINC000085284003 179002241 /nfs/dbraw/zinc/00/22/41/179002241.db2.gz CGOMQPIHLHYMRQ-IUODEOHRSA-N 1 0 267.369 2.213 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCCOc1cc(F)cc(F)c1 ZINC000085265228 178995184 /nfs/dbraw/zinc/99/51/84/178995184.db2.gz ZPKBYDMWDABEHC-CQSZACIVSA-N 1 0 273.323 2.484 10 0 CEAERO CC[NH2+][C@](C)(CO)C[C@H](C)Oc1ccc(OC)cc1 ZINC000085285631 179003221 /nfs/dbraw/zinc/00/32/21/179003221.db2.gz CQXPEHMLASHUAU-WFASDCNBSA-N 1 0 267.369 2.213 10 0 CEAERO CC[NH2+][C@](C)(CO)C[C@H](C)Oc1cccc(F)c1 ZINC000085285450 179003460 /nfs/dbraw/zinc/00/34/60/179003460.db2.gz FHACVRRJCDVMJG-FZMZJTMJSA-N 1 0 255.333 2.344 10 0 CEAERO C[NH2+][C@](C)(CO)CCCCSc1nc(C)cc(C)n1 ZINC000085287949 179005092 /nfs/dbraw/zinc/00/50/92/179005092.db2.gz KEOYLOQZADAUMD-AWEZNQCLSA-N 1 0 283.441 2.326 10 0 CEAERO C[C@@](CO)(CSc1ccc(F)cc1)[NH2+]C1CC1 ZINC000085291615 179007058 /nfs/dbraw/zinc/00/70/58/179007058.db2.gz GGRYXAWDJLRMPL-CYBMUJFWSA-N 1 0 255.358 2.421 10 0 CEAERO C[C@@H](C[C@](C)(CO)[NH2+]C1CC1)Sc1ccccn1 ZINC000085292059 179007987 /nfs/dbraw/zinc/00/79/87/179007987.db2.gz DIKSNBQQHIUVNX-SMDDNHRTSA-N 1 0 266.410 2.455 10 0 CEAERO CC[NH2+][C@](C)(CO)CSc1ccccc1OC ZINC000085297602 179009076 /nfs/dbraw/zinc/00/90/76/179009076.db2.gz GYHUBOMWBKCWPP-CYBMUJFWSA-N 1 0 255.383 2.148 10 0 CEAERO CC[NH2+][C@](C)(CO)CSc1ccc(F)c(F)c1 ZINC000085298129 179009205 /nfs/dbraw/zinc/00/92/05/179009205.db2.gz PCZNRBIBHQQHTB-GFCCVEGCSA-N 1 0 261.337 2.417 10 0 CEAERO CC[NH2+][C@](CO)(CSCc1ccco1)C1CC1 ZINC000085297969 179009513 /nfs/dbraw/zinc/00/95/13/179009513.db2.gz BGCDULYONJROAG-CYBMUJFWSA-N 1 0 255.383 2.263 10 0 CEAERO Cc1cc(C)c(OCCC[C@@](C)(O)C[NH3+])c(C)c1 ZINC000085305331 179012065 /nfs/dbraw/zinc/01/20/65/179012065.db2.gz XFFWZHAIZYISEI-OAHLLOKOSA-N 1 0 251.370 2.481 10 0 CEAERO Cc1cc2ncn([C@H](C)C[C@](C)(O)C[NH3+])c2cc1C ZINC000085304588 179012153 /nfs/dbraw/zinc/01/21/53/179012153.db2.gz VGXGVIJDZQXBQB-DOMZBBRYSA-N 1 0 261.369 2.314 10 0 CEAERO C[C@](O)(C[NH3+])CCCCOc1ccc(F)c(F)c1 ZINC000085307587 179012666 /nfs/dbraw/zinc/01/26/66/179012666.db2.gz BCKKCBNFDSXTLX-CYBMUJFWSA-N 1 0 259.296 2.224 10 0 CEAERO COc1cc(F)c(C(=O)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000085320721 179014209 /nfs/dbraw/zinc/01/42/09/179014209.db2.gz UBBPAAGMBGANCQ-SECBINFHSA-N 1 0 267.300 2.025 10 0 CEAERO COc1ccccc1S[C@@H](C)C[C@](C)(O)C[NH3+] ZINC000085320471 179014248 /nfs/dbraw/zinc/01/42/48/179014248.db2.gz BVZFKILFOYEDLL-GWCFXTLKSA-N 1 0 255.383 2.276 10 0 CEAERO COc1ccc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])cc1OC ZINC000085355981 179030325 /nfs/dbraw/zinc/03/03/25/179030325.db2.gz LURQUKYVHHASDS-RYUDHWBXSA-N 1 0 278.352 2.160 10 0 CEAERO COc1c(C)ccc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])c1C ZINC000085359555 179031746 /nfs/dbraw/zinc/03/17/46/179031746.db2.gz KMSHQDMFBSIIJN-VXGBXAGGSA-N 1 0 262.353 2.378 10 0 CEAERO Cc1noc(-c2ccccc2NC(=O)[C@H]2CCC[C@@H]2[NH3+])n1 ZINC000085360357 179032458 /nfs/dbraw/zinc/03/24/58/179032458.db2.gz WIZSTSUBJKSZRQ-JQWIXIFHSA-N 1 0 286.335 2.111 10 0 CEAERO CSc1ccccc1NC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085360865 179032840 /nfs/dbraw/zinc/03/28/40/179032840.db2.gz REUMQEUJROHWCR-VHSXEESVSA-N 1 0 250.367 2.474 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000085363090 179034712 /nfs/dbraw/zinc/03/47/12/179034712.db2.gz XTFDDPIOXFFDBQ-OLZOCXBDSA-N 1 0 270.336 2.143 10 0 CEAERO COC(=O)Nc1ccc(NC(=O)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000085364422 179035164 /nfs/dbraw/zinc/03/51/64/179035164.db2.gz MNYGUZMJLVBHFP-QWHCGFSZSA-N 1 0 291.351 2.321 10 0 CEAERO COC(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])c(C)c1 ZINC000085364449 179035411 /nfs/dbraw/zinc/03/54/11/179035411.db2.gz BSRXXZGWPBNPJC-OLZOCXBDSA-N 1 0 290.363 2.238 10 0 CEAERO Cc1ccc(CN(C)C(=O)[C@@H]2CCC[C@H]2[NH3+])c(C)c1 ZINC000085367968 179037575 /nfs/dbraw/zinc/03/75/75/179037575.db2.gz RMKHBGLYXKGSAF-HUUCEWRRSA-N 1 0 260.381 2.389 10 0 CEAERO CN(CCOc1ccccc1F)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085367416 179037749 /nfs/dbraw/zinc/03/77/49/179037749.db2.gz NGFTWHYZTUVVIW-GXTWGEPZSA-N 1 0 294.370 2.180 10 0 CEAERO Cc1cccc(CN(C)C(=O)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000085368111 179037993 /nfs/dbraw/zinc/03/79/93/179037993.db2.gz ZZRMEXJURSMTMY-GJZGRUSLSA-N 1 0 260.381 2.471 10 0 CEAERO CCN(Cc1ccc(OC)cc1)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085368735 179038647 /nfs/dbraw/zinc/03/86/47/179038647.db2.gz FHDQDIKWIIQPAZ-GJZGRUSLSA-N 1 0 276.380 2.171 10 0 CEAERO C[C@H](c1ccncc1)N(C)C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085369301 179039007 /nfs/dbraw/zinc/03/90/07/179039007.db2.gz LWNXQOVDEPWAIY-BNOWGMLFSA-N 1 0 261.369 2.119 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1cccc(F)c1F ZINC000085369832 179039793 /nfs/dbraw/zinc/03/97/93/179039793.db2.gz DULKXUMZQZKCJN-PSASIEDQSA-N 1 0 254.280 2.421 10 0 CEAERO CCC(=O)Nc1cccc(NC(=O)[C@H]2CCC[C@H]2[NH3+])c1 ZINC000085370843 179041234 /nfs/dbraw/zinc/04/12/34/179041234.db2.gz XGBLOHBPAJRTJM-QWHCGFSZSA-N 1 0 275.352 2.101 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)NCCc1cccc(Cl)c1 ZINC000085371278 179041351 /nfs/dbraw/zinc/04/13/51/179041351.db2.gz UWHQPAOPTPSXOB-STQMWFEESA-N 1 0 266.772 2.126 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000085371955 179041814 /nfs/dbraw/zinc/04/18/14/179041814.db2.gz HDLRUYQFZGKGTP-KGLIPLIRSA-N 1 0 287.363 2.101 10 0 CEAERO COc1ccc(C)cc1CN(C)C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085371895 179041915 /nfs/dbraw/zinc/04/19/15/179041915.db2.gz MGGNSKXPJXVEAX-CABCVRRESA-N 1 0 290.407 2.480 10 0 CEAERO Cc1occc1CN(C)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085372398 179042137 /nfs/dbraw/zinc/04/21/37/179042137.db2.gz JIEZTDNOHMEBNQ-QWHCGFSZSA-N 1 0 250.342 2.064 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)[C@H]2CCC[C@@H]2[NH3+])s1 ZINC000085372556 179042153 /nfs/dbraw/zinc/04/21/53/179042153.db2.gz VGHONLCIPJTZSD-VWYCJHECSA-N 1 0 252.383 2.361 10 0 CEAERO Cc1ccc(CNC(=O)[C@H]2CCCC[C@H]2[NH3+])s1 ZINC000085373710 179042678 /nfs/dbraw/zinc/04/26/78/179042678.db2.gz PPDXFDTYCPWAND-NWDGAFQWSA-N 1 0 252.383 2.190 10 0 CEAERO CCOc1cccc(CNC(=O)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000085365163 179036264 /nfs/dbraw/zinc/03/62/64/179036264.db2.gz FOZSEEDMESYRCX-LSDHHAIUSA-N 1 0 276.380 2.219 10 0 CEAERO FC(F)(F)COCCN1CC[NH2+]C2(CCCCC2)C1 ZINC000085435383 179061686 /nfs/dbraw/zinc/06/16/86/179061686.db2.gz KREFZGIOFUNNIW-UHFFFAOYSA-N 1 0 280.334 2.173 10 0 CEAERO c1ccc([C@@H]2CN(C[C@@H]3CCCCO3)CC[NH2+]2)cc1 ZINC000085435430 179062310 /nfs/dbraw/zinc/06/23/10/179062310.db2.gz GXCGJFXIGLATEM-HOTGVXAUSA-N 1 0 260.381 2.202 10 0 CEAERO CCC[C@H]1C[N@H+](C[C@@H]2CCOC2)C2(CCCC2)CN1 ZINC000085466329 179071515 /nfs/dbraw/zinc/07/15/15/179071515.db2.gz GEIZAURSORMQPI-GJZGRUSLSA-N 1 0 266.429 2.410 10 0 CEAERO CC(C)[C@@H]1C[N@H+](C[C@@H]2CCOC2)[C@H](C(C)(C)C)CN1 ZINC000085467320 179072635 /nfs/dbraw/zinc/07/26/35/179072635.db2.gz CMHHQMCOTAUYSN-KKUMJFAQSA-N 1 0 268.445 2.367 10 0 CEAERO CC(C)[C@H]1CN(CCOCC(F)(F)F)C(C)(C)C[NH2+]1 ZINC000085467477 179072821 /nfs/dbraw/zinc/07/28/21/179072821.db2.gz XFNYKDBGYKNXKW-LLVKDONJSA-N 1 0 282.350 2.274 10 0 CEAERO COCC[N@@H+]1C[C@@H](C(C)C)NCC12CCCCC2 ZINC000085468454 179073321 /nfs/dbraw/zinc/07/33/21/179073321.db2.gz BTDJIOAFBADXPR-AWEZNQCLSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@H]1C[NH2+]C(C)(C)CN1Cc1ccn(C(C)C)n1 ZINC000085469354 179074449 /nfs/dbraw/zinc/07/44/49/179074449.db2.gz NYXGGJJKIFKDMK-AWEZNQCLSA-N 1 0 264.417 2.426 10 0 CEAERO CCC[C@H]1C[NH2+][C@H](C(C)C)CN1Cc1cnn(C)c1 ZINC000085450888 179065181 /nfs/dbraw/zinc/06/51/81/179065181.db2.gz KLXCNNAHGNSUSS-GJZGRUSLSA-N 1 0 264.417 2.019 10 0 CEAERO COc1ccc(CN2CC[NH2+]C[C@@H]2C2CC2)cc1F ZINC000085451503 179065947 /nfs/dbraw/zinc/06/59/47/179065947.db2.gz ABZUMVDOCHBXAA-CQSZACIVSA-N 1 0 264.344 2.018 10 0 CEAERO CC[C@H](C)[C@@H]1CNCC[N@@H+]1CCCOCC(F)(F)F ZINC000085452863 179066343 /nfs/dbraw/zinc/06/63/43/179066343.db2.gz YGTYXZANIYEXPD-RYUDHWBXSA-N 1 0 282.350 2.275 10 0 CEAERO C[C@@H]1C[N@H+](CC2CCOCC2)[C@H](C(C)(C)C)CN1 ZINC000085454790 179067705 /nfs/dbraw/zinc/06/77/05/179067705.db2.gz QSOUEOCXPKRGSB-OCCSQVGLSA-N 1 0 254.418 2.121 10 0 CEAERO CCC[C@@H]1CN(CCOCC(F)(F)F)C(C)(C)C[NH2+]1 ZINC000085455494 179068005 /nfs/dbraw/zinc/06/80/05/179068005.db2.gz NVHZOYSHVSKKNB-LLVKDONJSA-N 1 0 282.350 2.418 10 0 CEAERO CCn1cc(CN2C[C@H](C)[NH2+]C[C@@H]2CC(C)C)cn1 ZINC000085454852 179068119 /nfs/dbraw/zinc/06/81/19/179068119.db2.gz NHTZCFAVMLUNBE-ZFWWWQNUSA-N 1 0 264.417 2.111 10 0 CEAERO CCC[C@H]1CN[C@@H](CC)C[N@@H+]1CC1CCOCC1 ZINC000085472800 179077274 /nfs/dbraw/zinc/07/72/74/179077274.db2.gz KFJHHBCFWBSHPW-GJZGRUSLSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@@]1(C)CNC(C)(C)C[N@@H+]1C[C@@H]1CCCCO1 ZINC000085471231 179076067 /nfs/dbraw/zinc/07/60/67/179076067.db2.gz SHBOAAAPHFHRBJ-ZFWWWQNUSA-N 1 0 254.418 2.408 10 0 CEAERO C[C@H]1C[NH2+][C@@H](c2ccccc2)CN1C[C@@H]1CCCO1 ZINC000085504577 179084924 /nfs/dbraw/zinc/08/49/24/179084924.db2.gz UVYYSTJQTBSAPN-CWRNSKLLSA-N 1 0 260.381 2.200 10 0 CEAERO C[C@H]1C[NH2+][C@@](C)(C2CC2)CN1CCCOCC(F)(F)F ZINC000085509392 179085393 /nfs/dbraw/zinc/08/53/93/179085393.db2.gz ACDKUFFLYSJEHC-WCQYABFASA-N 1 0 294.361 2.418 10 0 CEAERO CCC[C@H]1C[NH2+][C@@](C)(C2CC2)CN1CCn1cccn1 ZINC000085511427 179085961 /nfs/dbraw/zinc/08/59/61/179085961.db2.gz WDBONMXJXYSRFS-JKSUJKDBSA-N 1 0 276.428 2.126 10 0 CEAERO CC[C@]1(C)C[NH2+][C@@](C)(C2CC2)CN1CCn1cccn1 ZINC000085515057 179086336 /nfs/dbraw/zinc/08/63/36/179086336.db2.gz VPWSBOPGJWFZQH-HZPDHXFCSA-N 1 0 276.428 2.126 10 0 CEAERO C[C@H]1C[NH2+][C@H](C2CC2)CN1CCCOCC(F)(F)F ZINC000085521731 179087408 /nfs/dbraw/zinc/08/74/08/179087408.db2.gz IYSZODBRLAGRHO-JQWIXIFHSA-N 1 0 280.334 2.028 10 0 CEAERO CC[C@]1(C)CN(Cc2ccccn2)[C@H](C2CC2)C[NH2+]1 ZINC000085495906 179082398 /nfs/dbraw/zinc/08/23/98/179082398.db2.gz FAWWMNCWEYCHCW-JKSUJKDBSA-N 1 0 259.397 2.434 10 0 CEAERO CC[C@@H](C)[C@H]1CN(Cc2cnn(C)c2)C(C)(C)C[NH2+]1 ZINC000085493144 179082548 /nfs/dbraw/zinc/08/25/48/179082548.db2.gz FLRRWCZWIJJNSS-TZMCWYRMSA-N 1 0 264.417 2.019 10 0 CEAERO CC[C@]1(C)C[N@H+]([C@@H]2CCOC2)C2(CCCC2)CN1 ZINC000085497112 179083491 /nfs/dbraw/zinc/08/34/91/179083491.db2.gz YCJQQAKYCTVXCH-ZIAGYGMSSA-N 1 0 252.402 2.162 10 0 CEAERO COCC[N@@H+]1CC2(CCCCC2)NC[C@]1(C)C1CC1 ZINC000085504171 179084479 /nfs/dbraw/zinc/08/44/79/179084479.db2.gz OLAAOAHHYZPTHF-OAHLLOKOSA-N 1 0 266.429 2.410 10 0 CEAERO CC[C@H]1CN[C@@H](C2CC2)C[N@@H+]1[C@@H]1CCC[C@H](OC)C1 ZINC000085522719 179088835 /nfs/dbraw/zinc/08/88/35/179088835.db2.gz RVMNIRVARGRZGM-XUWVNRHRSA-N 1 0 266.429 2.406 10 0 CEAERO COCCC[N@@H+]1C[C@@H](C2CC2)NC[C@@H]1c1ccccc1 ZINC000085527132 179089110 /nfs/dbraw/zinc/08/91/10/179089110.db2.gz ZQXBTGISLQGHDN-DLBZAZTESA-N 1 0 274.408 2.448 10 0 CEAERO CC[C@@H](C)[C@H]1CN[C@H](C2CC2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085525117 179089220 /nfs/dbraw/zinc/08/92/20/179089220.db2.gz YIMFUUCPNQYLJG-SYAUCNOPSA-N 1 0 266.429 2.264 10 0 CEAERO CC(C)[C@H]1C[NH2+][C@@H](C2CC2)CN1Cc1cccnc1 ZINC000085524743 179089329 /nfs/dbraw/zinc/08/93/29/179089329.db2.gz ZVRFOVBUPOMIJC-HZPDHXFCSA-N 1 0 259.397 2.290 10 0 CEAERO CC(C)(C)[C@H]1CN[C@@H](C2CC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085527017 179089888 /nfs/dbraw/zinc/08/98/88/179089888.db2.gz UEYIPJKLPVJXMK-NWANDNLSSA-N 1 0 266.429 2.121 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@H](C2CC2)CN1CC(F)(F)F ZINC000085528576 179091047 /nfs/dbraw/zinc/09/10/47/179091047.db2.gz JXJKUVAMUUCHIO-QWRGUYRKSA-N 1 0 250.308 2.401 10 0 CEAERO CC[C@H]1CN[C@@](C)(c2ccccc2)C[N@@H+]1CCOC ZINC000085531968 179091483 /nfs/dbraw/zinc/09/14/83/179091483.db2.gz OMYNWCOPYZDHFE-JKSUJKDBSA-N 1 0 262.397 2.232 10 0 CEAERO C[C@]1(C2CC2)C[NH2+][C@H](C2CC2)CN1CC(F)(F)F ZINC000085529454 179091516 /nfs/dbraw/zinc/09/15/16/179091516.db2.gz OTNMASNLTSAVAE-NWDGAFQWSA-N 1 0 262.319 2.401 10 0 CEAERO C[C@@H]1CN[C@H](C2CCCCC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085529752 179091996 /nfs/dbraw/zinc/09/19/96/179091996.db2.gz UDEBVRHWNCJQDB-YCPHGPKFSA-N 1 0 266.429 2.266 10 0 CEAERO Cc1ccc(F)c(OCC[C@@](C)([NH2+]C(C)C)C(N)=O)c1 ZINC000085560349 179093948 /nfs/dbraw/zinc/09/39/48/179093948.db2.gz OEBNPLXYBSBJOE-OAHLLOKOSA-N 1 0 282.359 2.145 10 0 CEAERO CC[NH2+][C@@](C)(C[C@@H](C)Oc1cc(C)ccc1F)C(N)=O ZINC000085560536 179094447 /nfs/dbraw/zinc/09/44/47/179094447.db2.gz PVULUMOJMYFWJD-ABAIWWIYSA-N 1 0 282.359 2.145 10 0 CEAERO C[NH2+]C[C@H]1CC[C@H](COc2cc(C)ccc2F)O1 ZINC000085563379 179094570 /nfs/dbraw/zinc/09/45/70/179094570.db2.gz NJNYEUICMKIIKF-VXGBXAGGSA-N 1 0 253.317 2.280 10 0 CEAERO COC[C@@H](C)n1c2c(nc1C(C)(C)C)C[NH2+]CC2 ZINC000085568424 179095031 /nfs/dbraw/zinc/09/50/31/179095031.db2.gz FOXGCRKZSWVQOQ-SNVBAGLBSA-N 1 0 251.374 2.034 10 0 CEAERO Cc1ccc(F)c(OC[C@@](O)(C[NH3+])c2ccccc2)c1 ZINC000085565304 179095439 /nfs/dbraw/zinc/09/54/39/179095439.db2.gz DNCLZTCRQBKSHN-INIZCTEOSA-N 1 0 275.323 2.359 10 0 CEAERO CCCc1nc2c(n1C[C@H]1CCCCO1)CC[NH2+]C2 ZINC000085572443 179096974 /nfs/dbraw/zinc/09/69/74/179096974.db2.gz ZZGQGMIBVDJGTO-GFCCVEGCSA-N 1 0 263.385 2.050 10 0 CEAERO C[C@@H](Cn1ccnc1)n1c2c(nc1C(F)(F)F)C[NH2+]CC2 ZINC000085573570 179099022 /nfs/dbraw/zinc/09/90/22/179099022.db2.gz LTHXSLULMPUEQM-VIFPVBQESA-N 1 0 299.300 2.005 10 0 CEAERO COCC[C@@H](C)n1c2c(nc1C(C)C)C[NH2+]CC2 ZINC000085575272 179099515 /nfs/dbraw/zinc/09/95/15/179099515.db2.gz AQLLFZREKJEHCX-LLVKDONJSA-N 1 0 251.374 2.250 10 0 CEAERO C[C@@H]1CN(Cc2ccc3ncccc3c2)CCC[NH2+]1 ZINC000085610216 179100865 /nfs/dbraw/zinc/10/08/65/179100865.db2.gz FCDKAXFZUUOHJJ-CYBMUJFWSA-N 1 0 255.365 2.419 10 0 CEAERO C[C@@H]1CN(Cc2cccc3cccnc32)CCC[NH2+]1 ZINC000085610034 179101270 /nfs/dbraw/zinc/10/12/70/179101270.db2.gz RVCMQLKAKKXQNR-CYBMUJFWSA-N 1 0 255.365 2.419 10 0 CEAERO CC(C)C[C@@H]1CN(Cc2ncccn2)[C@@H](C)CC[NH2+]1 ZINC000085621849 179105323 /nfs/dbraw/zinc/10/53/23/179105323.db2.gz HXHXEMPLOXVBPH-UONOGXRCSA-N 1 0 262.401 2.075 10 0 CEAERO COCCOCCN1C[C@H](c2ccccc2)[NH2+]CC[C@@H]1C ZINC000085621482 179106218 /nfs/dbraw/zinc/10/62/18/179106218.db2.gz DTTDUBTXVSZPDC-DOTOQJQBSA-N 1 0 292.423 2.075 10 0 CEAERO CCn1cc(CN2C[C@@](C)(C3CC3)[NH2+]CC[C@@H]2C)cn1 ZINC000085623781 179106423 /nfs/dbraw/zinc/10/64/23/179106423.db2.gz AHPFNAWPVVODIG-BBRMVZONSA-N 1 0 276.428 2.256 10 0 CEAERO C[C@@H]([NH2+][C@H]1[C@@H]2CCCO[C@@H]2C1(C)C)c1nnc2n1CCC2 ZINC000085674073 179111767 /nfs/dbraw/zinc/11/17/67/179111767.db2.gz WSXQDWWBEIPBAS-XWUBHJNHSA-N 1 0 290.411 2.079 10 0 CEAERO CC(C)C[C@H](CO)[NH2+][C@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085675270 179111833 /nfs/dbraw/zinc/11/18/33/179111833.db2.gz QSZJNQDQTZSTKF-RFGFWPKPSA-N 1 0 255.402 2.187 10 0 CEAERO C[C@@H](Cn1ccnc1)[NH2+][C@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085674138 179111909 /nfs/dbraw/zinc/11/19/09/179111909.db2.gz MCZASCKCECBAPO-XUXIUFHCSA-N 1 0 263.385 2.065 10 0 CEAERO CCOC(=O)N1CCC([NH2+][C@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000085629884 179108055 /nfs/dbraw/zinc/10/80/55/179108055.db2.gz VAPNRADZFQXWTE-RDBSUJKOSA-N 1 0 296.411 2.010 10 0 CEAERO CC1(C)[C@H]([NH2+]C[C@@H]2Cc3ccccc3O2)[C@@H]2CCO[C@@H]21 ZINC000085636145 179109270 /nfs/dbraw/zinc/10/92/70/179109270.db2.gz LOTLFUKEGLFEQA-UGQVUOCMSA-N 1 0 273.376 2.393 10 0 CEAERO [NH3+]CCc1ccc(N2CCO[C@@H]3CCC[C@@H]32)c(F)c1 ZINC000104268904 136554177 /nfs/dbraw/zinc/55/41/77/136554177.db2.gz RTWVLRSRIBDFBC-LSDHHAIUSA-N 1 0 264.344 2.085 10 0 CEAERO C[C@@H]([NH3+])Cc1cc(F)c(N2CCOC[C@@H]2C)c(F)c1 ZINC000111493146 136562289 /nfs/dbraw/zinc/56/22/89/136562289.db2.gz PUIBMNNURHLNMX-ZJUUUORDSA-N 1 0 270.323 2.080 10 0 CEAERO CC(=O)Nc1ccc(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)cc1 ZINC000128430286 187370555 /nfs/dbraw/zinc/37/05/55/187370555.db2.gz GDNOBZFDYXYTNW-HNNXBMFYSA-N 1 0 298.390 2.368 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1CNC(=O)c1cc(F)c(F)c(F)c1 ZINC000085964672 179205198 /nfs/dbraw/zinc/20/51/98/179205198.db2.gz LMLIEGMPDMGHBA-UFBFGSQYSA-N 1 0 286.297 2.351 10 0 CEAERO Cc1ccc(C(=O)NC[C@@H]2CCCC[C@@H]2[NH3+])cc1F ZINC000085965359 179205390 /nfs/dbraw/zinc/20/53/90/179205390.db2.gz WIPJYNRIYVNHNB-JSGCOSHPSA-N 1 0 264.344 2.381 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1CNC(=O)Nc1cccc(F)c1 ZINC000085970195 179206662 /nfs/dbraw/zinc/20/66/62/179206662.db2.gz FWUBDKPELBIETG-GXFFZTMASA-N 1 0 265.332 2.465 10 0 CEAERO CC(C)N(Cc1cccs1)C[C@]1([NH3+])CCOC1 ZINC000085914790 179197873 /nfs/dbraw/zinc/19/78/73/179197873.db2.gz IBZTYIBTIFMBHZ-CYBMUJFWSA-N 1 0 254.399 2.076 10 0 CEAERO COc1cccc(C[N@@H+]2CCC[C@H](c3nncn3C)C2)c1 ZINC000065287765 362808369 /nfs/dbraw/zinc/80/83/69/362808369.db2.gz QMNUANUTXVVUDP-AWEZNQCLSA-N 1 0 286.379 2.203 10 0 CEAERO CC(C)(C[NH3+])[C@H](O)c1ccccc1Br ZINC000085915746 179198522 /nfs/dbraw/zinc/19/85/22/179198522.db2.gz JGWVPLMHWUBDSM-SNVBAGLBSA-N 1 0 258.159 2.467 10 0 CEAERO C[C@H]([NH3+])[C@@H](CO)Oc1ccc(-c2ccccc2)cc1 ZINC000085919585 179199814 /nfs/dbraw/zinc/19/98/14/179199814.db2.gz ILMRGPFJQDHTJY-BLLLJJGKSA-N 1 0 257.333 2.441 10 0 CEAERO CCC(C)(C)c1ccc(O[C@@H](CO)[C@H](C)[NH3+])cc1 ZINC000085919398 179199829 /nfs/dbraw/zinc/19/98/29/179199829.db2.gz XEIKYSDGVNUREE-FZMZJTMJSA-N 1 0 251.370 2.461 10 0 CEAERO CC[NH2+][C@@H](c1ccc(CC)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000086020952 179217950 /nfs/dbraw/zinc/21/79/50/179217950.db2.gz NNWLACZKTJFJFN-ZWNOBZJWSA-N 1 0 287.450 2.396 10 0 CEAERO O[C@H](C[NH2+]C[C@@H]1CCCC[C@@H]1O)c1cc(F)ccc1F ZINC000085985111 179211276 /nfs/dbraw/zinc/21/12/76/179211276.db2.gz QXGGGCMCINMNID-NZVBXONLSA-N 1 0 285.334 2.139 10 0 CEAERO C[C@](O)(C[NH2+]C[C@H]1CCCC[C@@H]1O)c1ccccc1 ZINC000085985150 179211649 /nfs/dbraw/zinc/21/16/49/179211649.db2.gz HQGXOQOTEWELMP-KBMXLJTQSA-N 1 0 263.381 2.035 10 0 CEAERO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)C(=O)Nc1ccccc1 ZINC000085986243 179212541 /nfs/dbraw/zinc/21/25/41/179212541.db2.gz PMXBRNOPOTXSIM-GUTXKFCHSA-N 1 0 276.380 2.154 10 0 CEAERO CCC[NH2+][C@H]1CC[C@@H](SCC(=O)OCC)[C@@H]1C ZINC000086044008 179223136 /nfs/dbraw/zinc/22/31/36/179223136.db2.gz DSCOUUMATBOXAB-GRYCIOLGSA-N 1 0 259.415 2.449 10 0 CEAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CC(=O)N(C3CCCC3)C2=O)[C@@H]1C ZINC000086075214 179224902 /nfs/dbraw/zinc/22/49/02/179224902.db2.gz TXUOQGDTFIYTPP-MHDGFBEUSA-N 1 0 278.396 2.081 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccsc1)[C@@H]1CCS(=O)(=O)C1 ZINC000086025571 179219570 /nfs/dbraw/zinc/21/95/70/179219570.db2.gz RNVDEBLJKFSZMK-OLZOCXBDSA-N 1 0 287.450 2.094 10 0 CEAERO COC1(OC)CC(C[NH3+])(c2ccc(OC(F)F)cc2)C1 ZINC000086035226 179221231 /nfs/dbraw/zinc/22/12/31/179221231.db2.gz XIMRYIBGWQMHDT-UHFFFAOYSA-N 1 0 287.306 2.267 10 0 CEAERO C[C@H]1[C@H]([NH3+])CC[C@@H]1S(=O)(=O)c1ccccc1Cl ZINC000086040376 179221989 /nfs/dbraw/zinc/22/19/89/179221989.db2.gz KSZDKFNWVPNSMS-GDPRMGEGSA-N 1 0 273.785 2.240 10 0 CEAERO CCC[NH2+][C@H]1CC[C@H](S(=O)(=O)CC(C)C)[C@@H]1C ZINC000086040930 179222270 /nfs/dbraw/zinc/22/22/70/179222270.db2.gz SVBPRDBTKSYJMU-AGIUHOORSA-N 1 0 261.431 2.224 10 0 CEAERO CC[C@H]1CC[C@H](NC(=O)c2cnn(CCC[NH3+])c2C)[C@@H]1C ZINC000086082831 179228267 /nfs/dbraw/zinc/22/82/67/179228267.db2.gz VZJRCLGWEMKOKB-ZLDLUXBVSA-N 1 0 292.427 2.095 10 0 CEAERO CC[C@@H]1CC[C@@H]([NH2+]Cc2c(OC)ncnc2OC)[C@@H]1C ZINC000086083924 179228885 /nfs/dbraw/zinc/22/88/85/179228885.db2.gz KDGMFKRWKRCEDT-NQBHXWOUSA-N 1 0 279.384 2.408 10 0 CEAERO CC[C@@H]1CC[C@H]([NH2+]CC(=O)N2CCCCC2)[C@@H]1C ZINC000086097649 179229559 /nfs/dbraw/zinc/22/95/59/179229559.db2.gz QCNGREGFBFBAJX-MCIONIFRSA-N 1 0 252.402 2.413 10 0 CEAERO c1ccc(C[C@@H]2CN(CCOC3CCCC3)CC[NH2+]2)cc1 ZINC000086149521 179240545 /nfs/dbraw/zinc/24/05/45/179240545.db2.gz YOGLPUSBLNOJCP-QGZVFWFLSA-N 1 0 288.435 2.462 10 0 CEAERO COCC[C@H](C)[N@@H+]1CCN[C@@](C)(c2ccccc2)C1 ZINC000086150653 179240757 /nfs/dbraw/zinc/24/07/57/179240757.db2.gz LYKXBDIZBGCPBZ-GOEBONIOSA-N 1 0 262.397 2.232 10 0 CEAERO C[C@H]1CN[C@H](Cc2ccccc2)C[N@@H+]1C1CCOCC1 ZINC000086154446 179241148 /nfs/dbraw/zinc/24/11/48/179241148.db2.gz GLLAMSONOWUOCN-GOEBONIOSA-N 1 0 274.408 2.070 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1[C@@H](C)[C@@H]1CCCO1 ZINC000086154099 179241727 /nfs/dbraw/zinc/24/17/27/179241727.db2.gz XECWMGBZIWPRDG-YJNKXOJESA-N 1 0 254.418 2.262 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C(C)C)CN1Cc1cc(C)on1 ZINC000086173888 179244932 /nfs/dbraw/zinc/24/49/32/179244932.db2.gz APTFYSLNTKKCIN-KBPBESRZSA-N 1 0 251.374 2.191 10 0 CEAERO CC[C@@H]1CN[C@@H](C(C)C)C[N@@H+]1C[C@@H]1CCCOC1 ZINC000086173979 179245067 /nfs/dbraw/zinc/24/50/67/179245067.db2.gz ZOHOJESINVKSDD-RRFJBIMHSA-N 1 0 254.418 2.121 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@H](C2CC2)CN1Cc1nccs1 ZINC000086226832 179253307 /nfs/dbraw/zinc/25/33/07/179253307.db2.gz XJDYMHGCMDQCOY-STQMWFEESA-N 1 0 265.426 2.352 10 0 CEAERO [NH3+][C@@H]1CCO[C@H]1c1cc(Br)ccc1F ZINC000086249348 179255078 /nfs/dbraw/zinc/25/50/78/179255078.db2.gz UGEHFNVMKCLNLH-ZJUUUORDSA-N 1 0 260.106 2.377 10 0 CEAERO CC[C@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1cc(C)no1 ZINC000086260362 179259288 /nfs/dbraw/zinc/25/92/88/179259288.db2.gz FPPZQUGBBJDGSV-ZFWWWQNUSA-N 1 0 263.385 2.336 10 0 CEAERO CC[C@H]1C[N@H+](C[C@@H]2CCCOC2)[C@H](C(C)C)CN1 ZINC000086260138 179259481 /nfs/dbraw/zinc/25/94/81/179259481.db2.gz YVKYEILBDJITAU-KKUMJFAQSA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@@H]1CN(Cc2ccnc(OC)c2)[C@H](C(C)C)C[NH2+]1 ZINC000086263855 179260993 /nfs/dbraw/zinc/26/09/93/179260993.db2.gz LWPFWTXWIGMDRN-CABCVRRESA-N 1 0 277.412 2.299 10 0 CEAERO CC[C@H]1C[NH2+]C(C)(C)CN1CCc1nccs1 ZINC000086264370 179261219 /nfs/dbraw/zinc/26/12/19/179261219.db2.gz WVSLBLNTNHCBPO-NSHDSACASA-N 1 0 253.415 2.148 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1nccn1C ZINC000086264795 179261298 /nfs/dbraw/zinc/26/12/98/179261298.db2.gz SZNFMPJFSMRQBV-GOEBONIOSA-N 1 0 276.428 2.019 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](CC(C)C)CN1Cc1nccn1C ZINC000086264882 179261443 /nfs/dbraw/zinc/26/14/43/179261443.db2.gz HUULTARFJNKPAN-KBPBESRZSA-N 1 0 264.417 2.019 10 0 CEAERO CC[C@@H]1CN(CCc2cscn2)[C@H](C(C)C)C[NH2+]1 ZINC000086265589 179261633 /nfs/dbraw/zinc/26/16/33/179261633.db2.gz JYZHEBZWWOPLHQ-OCCSQVGLSA-N 1 0 267.442 2.394 10 0 CEAERO CC(C)[C@H]1C[NH2+][C@H](C2CC2)CN1CCc1cscn1 ZINC000086265554 179261974 /nfs/dbraw/zinc/26/19/74/179261974.db2.gz OGEJGOSZYPUKPR-LSDHHAIUSA-N 1 0 279.453 2.394 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](C2CC2)CN1CCOC1CCCCC1 ZINC000086265793 179262374 /nfs/dbraw/zinc/26/23/74/179262374.db2.gz SXIBJDAVOJBWKK-CZUORRHYSA-N 1 0 266.429 2.408 10 0 CEAERO CC[C@H]1CN(c2cc(OC)cc(OC)c2)CCC[NH2+]1 ZINC000086269471 179262513 /nfs/dbraw/zinc/26/25/13/179262513.db2.gz QZVSQHUYRCPKGZ-LBPRGKRZSA-N 1 0 264.369 2.282 10 0 CEAERO CC[C@@H]1CN(CCc2ccc(OC)c(OC)c2)CCC[NH2+]1 ZINC000086269752 179262526 /nfs/dbraw/zinc/26/25/26/179262526.db2.gz WINWXAOLNQSFOP-OAHLLOKOSA-N 1 0 292.423 2.320 10 0 CEAERO C1CCC([C@@H]2C[N@@H+](C3CCOCC3)CCCN2)CC1 ZINC000086287280 179264063 /nfs/dbraw/zinc/26/40/63/179264063.db2.gz KWVNIBQHEWPFQD-INIZCTEOSA-N 1 0 266.429 2.410 10 0 CEAERO COCc1ccccc1N1CCC[NH2+][C@@H](C2CC2)C1 ZINC000086289638 179264738 /nfs/dbraw/zinc/26/47/38/179264738.db2.gz UMYWHBJPFMSRQQ-OAHLLOKOSA-N 1 0 260.381 2.411 10 0 CEAERO CN1CCC[C@H]([NH2+]Cc2ccc3ccccc3n2)C1 ZINC000086317575 179270573 /nfs/dbraw/zinc/27/05/73/179270573.db2.gz AYUNBODWKFTHSB-HNNXBMFYSA-N 1 0 255.365 2.419 10 0 CEAERO COC(=O)c1cccnc1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000336835014 365903788 /nfs/dbraw/zinc/90/37/88/365903788.db2.gz SZQQPPUZPLRINS-CHWSQXEVSA-N 1 0 274.364 2.490 10 0 CEAERO CN(C[C@H]1CC[N@H+](C)C1)c1nc(Br)cs1 ZINC000086291182 179265790 /nfs/dbraw/zinc/26/57/90/179265790.db2.gz RNXCRHBWXBJPAI-QMMMGPOBSA-N 1 0 290.230 2.294 10 0 CEAERO CC[C@]1(C)CN(Cc2ccnc(OC)c2)CCC[NH2+]1 ZINC000086296336 179267871 /nfs/dbraw/zinc/26/78/71/179267871.db2.gz JXEPFOMQVRFJID-OAHLLOKOSA-N 1 0 263.385 2.054 10 0 CEAERO CC(C)(C)[C@@H]1CN(Cc2cscn2)CCC[NH2+]1 ZINC000086297851 179267956 /nfs/dbraw/zinc/26/79/56/179267956.db2.gz NCVVTRDZPHZZCQ-LBPRGKRZSA-N 1 0 253.415 2.353 10 0 CEAERO Cc1ncsc1CN1CCC[NH2+][C@H](C2CC2)C1 ZINC000086297155 179268371 /nfs/dbraw/zinc/26/83/71/179268371.db2.gz AOBSSAPMUOOUKS-LBPRGKRZSA-N 1 0 251.399 2.025 10 0 CEAERO CC(C)(C)[C@@H]1CN(CCc2cscn2)CCC[NH2+]1 ZINC000086297930 179268981 /nfs/dbraw/zinc/26/89/81/179268981.db2.gz FNSZNKNPJNLPNY-ZDUSSCGKSA-N 1 0 267.442 2.396 10 0 CEAERO CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)COC)c1ccccc1 ZINC000103360144 185832440 /nfs/dbraw/zinc/83/24/40/185832440.db2.gz JRCOPWVIQRZVEA-GOEBONIOSA-N 1 0 292.423 2.468 10 0 CEAERO CCOCCN(CC)c1nc2c(s1)CCC[C@H]2[NH3+] ZINC000086444187 179294050 /nfs/dbraw/zinc/29/40/50/179294050.db2.gz XICJCKLMGXQREN-SNVBAGLBSA-N 1 0 269.414 2.342 10 0 CEAERO CCCN(CC[NH+](C)C)c1nc2c(s1)CCC[C@@H]2O ZINC000086444628 179294443 /nfs/dbraw/zinc/29/44/43/179294443.db2.gz CLQYVPFWYPMPST-NSHDSACASA-N 1 0 283.441 2.291 10 0 CEAERO CC[C@@H]1CN(C(=O)NC2CCCCC2)[C@@H](CC)C[NH2+]1 ZINC000086448226 179295907 /nfs/dbraw/zinc/29/59/07/179295907.db2.gz PTFOLWMJKJVOJU-OCCSQVGLSA-N 1 0 267.417 2.491 10 0 CEAERO CC[C@H]1CN(C(=O)c2cc(Cl)c[nH]2)[C@@H](CC)C[NH2+]1 ZINC000086447174 179295957 /nfs/dbraw/zinc/29/59/57/179295957.db2.gz FDHLFTSWXMNNKQ-QWRGUYRKSA-N 1 0 269.776 2.271 10 0 CEAERO CN(CCc1cccs1)[C@]1(C[NH3+])CCSC1 ZINC000086440822 179293030 /nfs/dbraw/zinc/29/30/30/179293030.db2.gz CVQXQIQXZLWOFZ-LBPRGKRZSA-N 1 0 256.440 2.057 10 0 CEAERO CC[C@H]1CN(Cc2noc(C(C)C)n2)[C@@H](CC)C[NH2+]1 ZINC000086463604 179296320 /nfs/dbraw/zinc/29/63/20/179296320.db2.gz CVMOMHSLAOLYME-RYUDHWBXSA-N 1 0 266.389 2.155 10 0 CEAERO CCN1C(=[NH2+])NC[C@@H]1c1cc(Br)cs1 ZINC000086459617 179296487 /nfs/dbraw/zinc/29/64/87/179296487.db2.gz LLFFSPFFQZYURI-SSDOTTSWSA-N 1 0 274.187 2.202 10 0 CEAERO COc1ccccc1C[C@H](C)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000086466925 179297401 /nfs/dbraw/zinc/29/74/01/179297401.db2.gz VYCMANRJDXKJKP-RDBSUJKOSA-N 1 0 262.397 2.308 10 0 CEAERO C[C@@H](C[NH3+])CN1CCN(C(=O)C2CCCCCCC2)CC1 ZINC000086577487 179308490 /nfs/dbraw/zinc/30/84/90/179308490.db2.gz BMXAOCFUNRREBS-HNNXBMFYSA-N 1 0 295.471 2.086 10 0 CEAERO CO[C@H](C)[C@H]([NH3+])Cc1ccc(Br)s1 ZINC000086576741 179308765 /nfs/dbraw/zinc/30/87/65/179308765.db2.gz KXSCXTPUSLRAHS-HTRCEHHLSA-N 1 0 264.188 2.415 10 0 CEAERO COc1ccc([C@@H](C[NH3+])N2CCSCC2)cc1Cl ZINC000086586394 179310139 /nfs/dbraw/zinc/31/01/39/179310139.db2.gz NEUIBLKONABOGK-GFCCVEGCSA-N 1 0 286.828 2.397 10 0 CEAERO COc1ccc([C@H](C[NH3+])N2CCCOCC2)cc1Cl ZINC000086595107 179310583 /nfs/dbraw/zinc/31/05/83/179310583.db2.gz VFYMPSSBSFCPOV-ZDUSSCGKSA-N 1 0 284.787 2.071 10 0 CEAERO Cc1nc(Sc2ncccc2C[NH3+])nc(C)c1C ZINC000086644059 179315965 /nfs/dbraw/zinc/31/59/65/179315965.db2.gz ZSAQEKQBVKUFRU-UHFFFAOYSA-N 1 0 260.366 2.407 10 0 CEAERO Cc1nc(SC[C@@H]2CCC[NH2+]C2)nc(C)c1C ZINC000086644534 179315681 /nfs/dbraw/zinc/31/56/81/179315681.db2.gz MUWNJXNZXJPPND-GFCCVEGCSA-N 1 0 251.399 2.494 10 0 CEAERO [NH3+][C@]1(CO)CC[C@@H](Sc2ncccc2Cl)C1 ZINC000086637088 179315090 /nfs/dbraw/zinc/31/50/90/179315090.db2.gz UUPZHSFSOWPPIY-LDYMZIIASA-N 1 0 258.774 2.069 10 0 CEAERO Cc1csc(S[C@H]2CCC[C@]([NH3+])(CO)C2)n1 ZINC000086617586 179311832 /nfs/dbraw/zinc/31/18/32/179311832.db2.gz RTNLPCISQZRVOM-GXSJLCMTSA-N 1 0 258.412 2.176 10 0 CEAERO COC(=O)[C@](C)([NH3+])C[C@@H](C)Sc1nc(C)c(C)c(C)n1 ZINC000086644719 179315792 /nfs/dbraw/zinc/31/57/92/179315792.db2.gz IOLBJJYJUUJIRM-XLKFXECMSA-N 1 0 297.424 2.163 10 0 CEAERO CN(C)CC[NH2+]Cc1cc(F)cc(Br)c1 ZINC000086694491 179320835 /nfs/dbraw/zinc/32/08/35/179320835.db2.gz BFWMFAFHDXOAHP-UHFFFAOYSA-N 1 0 275.165 2.239 10 0 CEAERO CCC(CC)(CC)NS(=O)(=O)c1cccc(C[NH3+])c1 ZINC000086642858 179316017 /nfs/dbraw/zinc/31/60/17/179316017.db2.gz QPDFEKQCRGYRLK-UHFFFAOYSA-N 1 0 284.425 2.392 10 0 CEAERO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1S(C)(=O)=O ZINC000086670580 179317395 /nfs/dbraw/zinc/31/73/95/179317395.db2.gz RWFDZKNEPXNKJM-XQHKEYJVSA-N 1 0 259.415 2.120 10 0 CEAERO COc1ccccc1[C@H](C)[NH2+][C@H]1CCC[C@@H]1S(C)(=O)=O ZINC000086670960 179317659 /nfs/dbraw/zinc/31/76/59/179317659.db2.gz XGDJQPLWVUYWDO-WHOFXGATSA-N 1 0 297.420 2.312 10 0 CEAERO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2S(C)(=O)=O)C1 ZINC000086672211 179317681 /nfs/dbraw/zinc/31/76/81/179317681.db2.gz SWIPIYRHDUEELP-XQHKEYJVSA-N 1 0 259.415 2.120 10 0 CEAERO CC(C)C[C@@H](C[NH3+])Nc1ccc(OC(F)F)cn1 ZINC000336892052 365937306 /nfs/dbraw/zinc/93/73/06/365937306.db2.gz QZMNJOFMNFZNAJ-VIFPVBQESA-N 1 0 259.300 2.468 10 0 CEAERO CS(=O)(=O)[C@@H]1CCC[C@@H]1[NH2+]CCC1CCCC1 ZINC000086674783 179318816 /nfs/dbraw/zinc/31/88/16/179318816.db2.gz WCNLGHVGYYRSMP-QWHCGFSZSA-N 1 0 259.415 2.122 10 0 CEAERO CC(C)CC1(C(=O)NC[C@H]2CN(C)CCO2)CCCC1 ZINC000130279545 365941026 /nfs/dbraw/zinc/94/10/26/365941026.db2.gz HVJQVGJDQDEGKQ-AWEZNQCLSA-N 1 0 282.428 2.040 10 0 CEAERO OC1CC([NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC000086694694 179320463 /nfs/dbraw/zinc/32/04/63/179320463.db2.gz RWGJJYNLPYLANY-UHFFFAOYSA-N 1 0 274.133 2.201 10 0 CEAERO CC[C@H]1CN(Cc2cnc(Cl)s2)CC[N@@H+]1C ZINC000086776888 179328824 /nfs/dbraw/zinc/32/88/24/179328824.db2.gz GODNYRYLYPNWDA-VIFPVBQESA-N 1 0 259.806 2.323 10 0 CEAERO CC(C)(C)C1CCC(C[NH3+])(OCC(=O)NCC2CC2)CC1 ZINC000086713656 179322717 /nfs/dbraw/zinc/32/27/17/179322717.db2.gz HSGKNMTZCRAPSB-UHFFFAOYSA-N 1 0 296.455 2.463 10 0 CEAERO CC(C)C1CCC(C[NH3+])(O[C@@H](C)C(=O)N(C)C)CC1 ZINC000086713471 179322761 /nfs/dbraw/zinc/32/27/61/179322761.db2.gz YEBHHERLTGJONV-OPFPJEHXSA-N 1 0 270.417 2.023 10 0 CEAERO CCCC1CCC(C[NH3+])(OCC(=O)NCC2CC2)CC1 ZINC000086713354 179322797 /nfs/dbraw/zinc/32/27/97/179322797.db2.gz QAKPSVKCOHHCPU-UHFFFAOYSA-N 1 0 282.428 2.217 10 0 CEAERO C[C@@H]1CCC[C@@](C[NH3+])(OCC(=O)N2CCCCCC2)C1 ZINC000086712452 179322818 /nfs/dbraw/zinc/32/28/18/179322818.db2.gz ZVXOFRPREMJPNU-GDBMZVCRSA-N 1 0 282.428 2.313 10 0 CEAERO CC1(C)CCC(C[NH3+])(OC[C@@H](O)C(F)(F)F)CC1 ZINC000086712207 179322862 /nfs/dbraw/zinc/32/28/62/179322862.db2.gz NKVRKDCVWKMAAW-SECBINFHSA-N 1 0 269.307 2.224 10 0 CEAERO CC[C@@]1(C(=O)[O-])CCC[N@@H+](C2CC[NH+](C(C)C)CC2)C1 ZINC000086784825 179332400 /nfs/dbraw/zinc/33/24/00/179332400.db2.gz YIWSBHWUFUYPCT-MRXNPFEDSA-N 1 0 282.428 2.436 10 0 CEAERO Cc1nccn1-c1ccc(N[C@@H]2CCC[N@@H+](C)CC2)cn1 ZINC000086818535 179347609 /nfs/dbraw/zinc/34/76/09/179347609.db2.gz QLYNCILQHAWAJS-CQSZACIVSA-N 1 0 285.395 2.472 10 0 CEAERO Cn1cnnc1-c1cccc(N[C@@H]2CCC[N@H+](C)CC2)c1 ZINC000086818397 179347690 /nfs/dbraw/zinc/34/76/90/179347690.db2.gz KCEBJUUQKRAJDM-CQSZACIVSA-N 1 0 285.395 2.378 10 0 CEAERO C[N@@H+]1CCC[C@](O)(c2ccc(F)c(F)c2F)CC1 ZINC000086833854 179349374 /nfs/dbraw/zinc/34/93/74/179349374.db2.gz LZSAKZLSSRCDAS-CYBMUJFWSA-N 1 0 259.271 2.407 10 0 CEAERO Cc1ccc(S(C)(=O)=O)cc1N[C@H]1CCC[N@@H+](C)CC1 ZINC000086817764 179345850 /nfs/dbraw/zinc/34/58/50/179345850.db2.gz HJOUGTRGVTYADS-ZDUSSCGKSA-N 1 0 296.436 2.295 10 0 CEAERO CCOC(=O)[C@]1(NCC(C)C)CCC[N@H+](CC)CC1 ZINC000086850296 179357452 /nfs/dbraw/zinc/35/74/52/179357452.db2.gz GBVKEQQWRALMBH-HNNXBMFYSA-N 1 0 270.417 2.040 10 0 CEAERO CC[N@@H+]1CCC[C@H](Nc2ccccc2CC(N)=O)CC1 ZINC000086839841 179351556 /nfs/dbraw/zinc/35/15/56/179351556.db2.gz KSWDUYNGANEZLX-AWEZNQCLSA-N 1 0 275.396 2.001 10 0 CEAERO CCC[N@@H+]1CCC[C@@H](NCc2ccc(OC)nc2)CC1 ZINC000086836790 179352051 /nfs/dbraw/zinc/35/20/51/179352051.db2.gz RJLDDTOVSIWUET-OAHLLOKOSA-N 1 0 277.412 2.444 10 0 CEAERO Cc1nccc(CN[C@H]2CCC[N@@H+](C(C)C)CC2)n1 ZINC000086842074 179352452 /nfs/dbraw/zinc/35/24/52/179352452.db2.gz LFLJDZJHXPURNU-AWEZNQCLSA-N 1 0 262.401 2.138 10 0 CEAERO CC[N@@H+]1CCC[C@@](O)(c2cc(Cl)cnc2N)CC1 ZINC000086852298 179359725 /nfs/dbraw/zinc/35/97/25/179359725.db2.gz JUVQWIVUFPGADA-ZDUSSCGKSA-N 1 0 269.776 2.011 10 0 CEAERO CC[N@@H+]1CCC[C@](N)(c2noc(C(C)(C)C)n2)CC1 ZINC000086851781 179359975 /nfs/dbraw/zinc/35/99/75/179359975.db2.gz DSWNRMCQSRIDGT-CQSZACIVSA-N 1 0 266.389 2.027 10 0 CEAERO CC[N@@H+]1CCC[C@](CC(=O)[O-])([NH+]2CCCCC2)CC1 ZINC000086868506 179360331 /nfs/dbraw/zinc/36/03/31/179360331.db2.gz LEXNBZPNMMZCQM-HNNXBMFYSA-N 1 0 268.401 2.192 10 0 CEAERO CCCn1nccc1[C@@]1(O)CCC[N@@H+](C(C)C)CC1 ZINC000086867637 179360414 /nfs/dbraw/zinc/36/04/14/179360414.db2.gz ZPKHOFIESXODQZ-OAHLLOKOSA-N 1 0 265.401 2.375 10 0 CEAERO CCOC(=O)C(C)(C)[C@@]1(O)CCC[N@@H+](C(C)C)CC1 ZINC000086868379 179360697 /nfs/dbraw/zinc/36/06/97/179360697.db2.gz OHHXTMBSICXMMO-OAHLLOKOSA-N 1 0 271.401 2.201 10 0 CEAERO CC[N@@H+]1CCC[C@](CO)(NCc2ccccc2)CC1 ZINC000086867915 179360701 /nfs/dbraw/zinc/36/07/01/179360701.db2.gz VTDREBWYDIBKKE-INIZCTEOSA-N 1 0 262.397 2.013 10 0 CEAERO CCC[N@@H+]1CCC[C@@H]([NH+]2CCC(C)(C(=O)[O-])CC2)CC1 ZINC000086869069 179361297 /nfs/dbraw/zinc/36/12/97/179361297.db2.gz LYEGNWFJPPCKCL-CQSZACIVSA-N 1 0 282.428 2.438 10 0 CEAERO CC(C)[N@@H+]1CCC[C@@H]([NH+]2CCC[C@@H]2CC(=O)[O-])CC1 ZINC000086869206 179361668 /nfs/dbraw/zinc/36/16/68/179361668.db2.gz SNYQCNLIYMVTRZ-ZIAGYGMSSA-N 1 0 268.401 2.188 10 0 CEAERO C[C@H]([NH2+][C@H]1CCCOCC1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000086873242 179365010 /nfs/dbraw/zinc/36/50/10/179365010.db2.gz FVVMVDJYICSHNI-JQWIXIFHSA-N 1 0 275.352 2.076 10 0 CEAERO CC(C)[N@@H+]1CCC[C@H]([NH+]2CCC[C@@]2(C)C(=O)[O-])CC1 ZINC000086869350 179363769 /nfs/dbraw/zinc/36/37/69/179363769.db2.gz GHYRMHFZSRXUAK-ZFWWWQNUSA-N 1 0 268.401 2.188 10 0 CEAERO CC[N@@H+]1CCC[C@](Nc2ccc(Cl)cc2)(C(N)=O)CC1 ZINC000086849491 179358514 /nfs/dbraw/zinc/35/85/14/179358514.db2.gz CHKKPUPAAWVSOJ-OAHLLOKOSA-N 1 0 295.814 2.482 10 0 CEAERO CC(C)[N@@H+]1CCC[C@@](N)(c2noc(C(F)(F)F)n2)CC1 ZINC000086851786 179359073 /nfs/dbraw/zinc/35/90/73/179359073.db2.gz TZACBUCMEYNLLD-NSHDSACASA-N 1 0 292.305 2.137 10 0 CEAERO CN[C@]1(c2nccs2)CCC[N@@H+](C(C)C)CC1 ZINC000086851373 179359174 /nfs/dbraw/zinc/35/91/74/179359174.db2.gz GPOFXLJZGLTDIZ-CYBMUJFWSA-N 1 0 253.415 2.452 10 0 CEAERO CCS(=O)(=O)CCC[C@H](Cc1ccccc1)[NH2+]C ZINC000086978708 179372512 /nfs/dbraw/zinc/37/25/12/179372512.db2.gz TXTUYDPZAHCKLJ-CQSZACIVSA-N 1 0 269.410 2.032 10 0 CEAERO CCS(=O)(=O)CCCC1([NH3+])C[C@@H](C)C[C@H](C)C1 ZINC000086977489 179372709 /nfs/dbraw/zinc/37/27/09/179372709.db2.gz ISOVPXIUQFLIEM-RYUDHWBXSA-N 1 0 261.431 2.355 10 0 CEAERO CC[NH2+][C@@H](CCCS(=O)(=O)CC)C1CCCC1 ZINC000086978980 179372724 /nfs/dbraw/zinc/37/27/24/179372724.db2.gz MAIGAGFDXWPSMU-ZDUSSCGKSA-N 1 0 261.431 2.370 10 0 CEAERO CC[C@H]1CCC[C@@](NCC[NH+](C)C)(C(=O)OC)CC1 ZINC000086915923 179367418 /nfs/dbraw/zinc/36/74/18/179367418.db2.gz SIGNFZZXIDGTPK-ZFWWWQNUSA-N 1 0 270.417 2.040 10 0 CEAERO CC1(C)CCC[C@](CO)([NH2+]C[C@@H]2CCCO2)CC1 ZINC000086920869 179367916 /nfs/dbraw/zinc/36/79/16/179367916.db2.gz AZSMQTYFUKLGHP-ZFWWWQNUSA-N 1 0 255.402 2.476 10 0 CEAERO CC[NH2+][C@@H](C)[C@@H](c1nc(CCCOC)no1)C(C)C ZINC000086972006 179370444 /nfs/dbraw/zinc/37/04/44/179370444.db2.gz QNZULIPSQKXLNK-AAEUAGOBSA-N 1 0 269.389 2.386 10 0 CEAERO CC[C@H]([NH2+]CCCS(=O)(=O)CC)c1nccs1 ZINC000086974545 179372000 /nfs/dbraw/zinc/37/20/00/179372000.db2.gz WAKACHUEKIJJFH-JTQLQIEISA-N 1 0 276.427 2.009 10 0 CEAERO CCn1nccc1[C@H]([NH2+]C)[C@@H]1CSCCS1 ZINC000086984811 179373964 /nfs/dbraw/zinc/37/39/64/179373964.db2.gz USRAECFTUZKURR-QWRGUYRKSA-N 1 0 257.428 2.012 10 0 CEAERO Cc1cc([C@H](O)[C@H](C)C[NH3+])sc1Br ZINC000087018769 179381161 /nfs/dbraw/zinc/38/11/61/179381161.db2.gz MDPZCJKALBSAQH-HTRCEHHLSA-N 1 0 264.188 2.447 10 0 CEAERO CCC(O)(CC)C[NH2+]CC(=O)Nc1cccc(Cl)c1 ZINC000087028542 179382065 /nfs/dbraw/zinc/38/20/65/179382065.db2.gz LYEIYDLGKBLOKB-UHFFFAOYSA-N 1 0 284.787 2.419 10 0 CEAERO CC[C@](C)(O)C[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000087028120 179381588 /nfs/dbraw/zinc/38/15/88/179381588.db2.gz RSHSVMNPUOSQAZ-STQMWFEESA-N 1 0 291.313 2.489 10 0 CEAERO CCC[C@@H](CC[NH3+])CCC(=O)NCC1(O)CCCCC1 ZINC000087027554 179381776 /nfs/dbraw/zinc/38/17/76/179381776.db2.gz PICZVLSXPBVJKK-CQSZACIVSA-N 1 0 284.444 2.343 10 0 CEAERO C[NH2+][C@H](CCc1ccsc1)[C@@H]1CSCCO1 ZINC000086988805 179374700 /nfs/dbraw/zinc/37/47/00/179374700.db2.gz PGJIIZHOXCEVTD-NEPJUHHUSA-N 1 0 257.424 2.401 10 0 CEAERO COc1ccc([C@@H]2[C@H](C[NH2+]C(C)C)OCCN2C)cc1F ZINC000086995017 179376093 /nfs/dbraw/zinc/37/60/93/179376093.db2.gz AWQSKHCTILTULJ-JKSUJKDBSA-N 1 0 296.386 2.204 10 0 CEAERO [NH3+][C@H]1CC[C@@H]2CN(C(=O)c3c(F)cc(F)cc3F)C[C@@H]2C1 ZINC000086997862 179377469 /nfs/dbraw/zinc/37/74/69/179377469.db2.gz VJRFSDBUVQFPIU-YWVKMMECSA-N 1 0 298.308 2.303 10 0 CEAERO [NH3+][C@@H](CO[C@@H]1CCOC1)C12CC3CC(CC(C3)C1)C2 ZINC000104104035 185895414 /nfs/dbraw/zinc/89/54/14/185895414.db2.gz IBTWLXOJKQNBKR-GGNLMMEPSA-N 1 0 265.397 2.336 10 0 CEAERO CS(=O)(=O)c1ccc([C@H]2C[NH2+]CC3(CCCC3)O2)cc1 ZINC000087007794 179378722 /nfs/dbraw/zinc/37/87/22/179378722.db2.gz GLMBRANIRCHSTO-CQSZACIVSA-N 1 0 295.404 2.064 10 0 CEAERO C[C@H]([NH2+]C[C@]1(O)CCC[C@@H](C)C1)c1cnn(C)c1 ZINC000087048908 179388361 /nfs/dbraw/zinc/38/83/61/179388361.db2.gz MRSAVVRZRSYEIH-DYEKYZERSA-N 1 0 251.374 2.012 10 0 CEAERO C[C@@H]1CCC[C@](O)(C[NH2+]C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000087052343 179388982 /nfs/dbraw/zinc/38/89/82/179388982.db2.gz XRSFLOSKWRPSPG-MLGOLLRUSA-N 1 0 298.427 2.137 10 0 CEAERO C[C@](O)(C[NH2+]CC1(O)CCCCC1)c1ccccc1 ZINC000087029267 179382367 /nfs/dbraw/zinc/38/23/67/179382367.db2.gz RRKVNRZMVQJFDL-HNNXBMFYSA-N 1 0 263.381 2.179 10 0 CEAERO CCC[NH2+][C@@H](CSC(C)C)Cc1cnn(C)c1 ZINC000087114169 179395398 /nfs/dbraw/zinc/39/53/98/179395398.db2.gz WCVYICQCMGPHFL-CYBMUJFWSA-N 1 0 255.431 2.472 10 0 CEAERO C[NH2+][C@H](CSC(C)(C)C)Cc1ccnc(N)c1 ZINC000087117536 179395412 /nfs/dbraw/zinc/39/54/12/179395412.db2.gz RGXSCPUYBUDJSG-NSHDSACASA-N 1 0 253.415 2.326 10 0 CEAERO CCC1CCC(O)(C[NH2+][C@@H]2CCO[C@H](C)C2)CC1 ZINC000087061420 179389691 /nfs/dbraw/zinc/38/96/91/179389691.db2.gz ZSQGZYLHYUMSQJ-FEWQNLEASA-N 1 0 255.402 2.475 10 0 CEAERO C[C@H]([NH2+]CC1(O)CCC(C)(C)CC1)C(=O)NC1CCCC1 ZINC000087063417 179389995 /nfs/dbraw/zinc/38/99/95/179389995.db2.gz GEXQLDOGXYBVOV-ZDUSSCGKSA-N 1 0 296.455 2.355 10 0 CEAERO Cc1nccn1CC[NH2+]CC1(O)CCC(C)(C)CC1 ZINC000087063732 179390105 /nfs/dbraw/zinc/39/01/05/179390105.db2.gz HXUGZPMRMDNCGR-UHFFFAOYSA-N 1 0 265.401 2.112 10 0 CEAERO CC(C)CNC(=[NH2+])NCC1(O)CCC(C)(C)CC1 ZINC000087076044 179392594 /nfs/dbraw/zinc/39/25/94/179392594.db2.gz PONSHDZHHZVHNX-UHFFFAOYSA-N 1 0 255.406 2.088 10 0 CEAERO Cc1nc(C)c(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)o1 ZINC000670991205 539614311 /nfs/dbraw/zinc/61/43/11/539614311.db2.gz GYHMLUBKOZYNIB-ZFWWWQNUSA-N 1 0 264.369 2.418 10 0 CEAERO CCOC(=O)C[C@@H](C)[NH2+]CC1(O)CCCCCC1 ZINC000087089513 179393653 /nfs/dbraw/zinc/39/36/53/179393653.db2.gz DOKVTSLNQYWCOJ-GFCCVEGCSA-N 1 0 257.374 2.003 10 0 CEAERO CC(C)N1CC[C@@H]([NH2+]CC2(O)CCCCCC2)C1 ZINC000087088654 179393732 /nfs/dbraw/zinc/39/37/32/179393732.db2.gz LYWVURFZCGWTPZ-CQSZACIVSA-N 1 0 254.418 2.144 10 0 CEAERO [NH3+][C@H]1CCN(c2ccc(Cl)c(Br)c2)C1=O ZINC000087153166 179397776 /nfs/dbraw/zinc/39/77/76/179397776.db2.gz FDXNSNWYGBNOMP-VIFPVBQESA-N 1 0 289.560 2.167 10 0 CEAERO C[N@@H+]1CC[C@](O)(Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000087166273 179398831 /nfs/dbraw/zinc/39/88/31/179398831.db2.gz LLIWIBBMSPJDPS-LBPRGKRZSA-N 1 0 275.270 2.194 10 0 CEAERO CCOCCCOc1cc(CC[NH3+])ccc1OC ZINC000087326050 179413327 /nfs/dbraw/zinc/41/33/27/179413327.db2.gz RCHVJPWAUOWZHK-UHFFFAOYSA-N 1 0 253.342 2.002 10 0 CEAERO [NH3+]C[C@@H](c1ccc(F)cc1)[C@@H](O)CCc1ccco1 ZINC000087352393 179415462 /nfs/dbraw/zinc/41/54/62/179415462.db2.gz IZEYKLNLTMLQBY-GJZGRUSLSA-N 1 0 263.312 2.455 10 0 CEAERO COc1ccc([C@@H](C[NH3+])[C@@H](O)C2CCCC2)cc1OC ZINC000087370565 179416595 /nfs/dbraw/zinc/41/65/95/179416595.db2.gz TXOZBEIXPDTUGQ-CJNGLKHVSA-N 1 0 279.380 2.297 10 0 CEAERO CC[C@@H](C[NH3+])[C@H](O)c1c(F)c(F)c(F)c(F)c1F ZINC000087377999 179416976 /nfs/dbraw/zinc/41/69/76/179416976.db2.gz YLBIFHXTCUEITR-AUIPBDMJSA-N 1 0 269.213 2.400 10 0 CEAERO CCC[C@@H](C[NH3+])NC(=O)c1cc2c(s1)CCCC2 ZINC000087387062 179419100 /nfs/dbraw/zinc/41/91/00/179419100.db2.gz UCNJGORXJFYGDR-NSHDSACASA-N 1 0 266.410 2.484 10 0 CEAERO CCCn1cc(Cl)cc1C(=O)N[C@H](C[NH3+])C(C)C ZINC000087402956 179419637 /nfs/dbraw/zinc/41/96/37/179419637.db2.gz SDQFVNMTMKRVPW-LLVKDONJSA-N 1 0 271.792 2.265 10 0 CEAERO CC(C)[C@H](C[NH3+])NC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000087402927 179419663 /nfs/dbraw/zinc/41/96/63/179419663.db2.gz OPPATSPISITKLP-LBPRGKRZSA-N 1 0 288.313 2.347 10 0 CEAERO C[C@@H]1CCCN(C(=O)c2snnc2C(C)(C)C)[C@@H]1C[NH3+] ZINC000087456033 179428077 /nfs/dbraw/zinc/42/80/77/179428077.db2.gz RPESSUSZZODNNM-NXEZZACHSA-N 1 0 296.440 2.035 10 0 CEAERO Cc1nc(-c2cnn(C)c2)nc(C)c1CC[NH2+]C(C)(C)C ZINC000087426352 179424607 /nfs/dbraw/zinc/42/46/07/179424607.db2.gz GOXMXSGTVOYGJN-UHFFFAOYSA-N 1 0 287.411 2.425 10 0 CEAERO C[C@@H]([NH2+]CC(=O)N(C)[C@H]1CCCC[C@H]1C)[C@H]1CCCO1 ZINC000248563588 539636774 /nfs/dbraw/zinc/63/67/74/539636774.db2.gz DHYIMHCAVPPDRX-APIJFGDWSA-N 1 0 282.428 2.181 10 0 CEAERO COCCOc1cccc(NC(=O)C(C)(C)C(C)(C)[NH3+])c1 ZINC000087627832 179458854 /nfs/dbraw/zinc/45/88/54/179458854.db2.gz BDUMYRWPIYZIJI-UHFFFAOYSA-N 1 0 294.395 2.414 10 0 CEAERO CC(C)CN(CCC[NH3+])c1nc(C2CC2)ns1 ZINC000087639684 179460925 /nfs/dbraw/zinc/46/09/25/179460925.db2.gz RWFKFKRYZBJOHZ-UHFFFAOYSA-N 1 0 254.403 2.227 10 0 CEAERO COCC[NH2+]C[C@@H]1CCCN1c1nc(C(C)(C)C)ns1 ZINC000087643771 179462838 /nfs/dbraw/zinc/46/28/38/179462838.db2.gz PUHROHSEGSAYKK-NSHDSACASA-N 1 0 298.456 2.040 10 0 CEAERO [NH3+][C@H]1CC[C@@](O)(Cc2ccc(Br)cc2)C1 ZINC000087653680 179463759 /nfs/dbraw/zinc/46/37/59/179463759.db2.gz QFZHNQYQDWBAFF-NWDGAFQWSA-N 1 0 270.170 2.234 10 0 CEAERO CC1(C)CCCN(S(=O)(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000087657294 179464493 /nfs/dbraw/zinc/46/44/93/179464493.db2.gz YFFVLRJEJKLODE-UHFFFAOYSA-N 1 0 296.436 2.346 10 0 CEAERO CC(C)C[NH2+]CCOCCc1ccc2c(c1)CCO2 ZINC000087730692 179479047 /nfs/dbraw/zinc/47/90/47/179479047.db2.gz LSUJNKMFLJBCFA-UHFFFAOYSA-N 1 0 263.381 2.426 10 0 CEAERO COCC[NH2+]CCOCCc1ccc2c(c1)CCCC2 ZINC000087730619 179479279 /nfs/dbraw/zinc/47/92/79/179479279.db2.gz HQSZGKISQDWCLX-UHFFFAOYSA-N 1 0 277.408 2.361 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)Nc1cc(C(=O)OC)ccc1C ZINC000087517639 179438426 /nfs/dbraw/zinc/43/84/26/179438426.db2.gz KBUPEDMGMVWUIJ-LBPRGKRZSA-N 1 0 278.352 2.095 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)Nc1ccccc1-c1nnc(C)o1 ZINC000087517259 179438586 /nfs/dbraw/zinc/43/85/86/179438586.db2.gz RFMUKCRBPRZWSK-NSHDSACASA-N 1 0 288.351 2.359 10 0 CEAERO CC[C@H](C[NH3+])C(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000087525140 179440739 /nfs/dbraw/zinc/44/07/39/179440739.db2.gz BKTMIESAASOQJD-NXEZZACHSA-N 1 0 270.323 2.469 10 0 CEAERO CC(C)[C@@H](C[NH3+])C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000087525128 179440805 /nfs/dbraw/zinc/44/08/05/179440805.db2.gz BQCQXGJJOVDEJI-CYBMUJFWSA-N 1 0 285.391 2.284 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000087531970 179441998 /nfs/dbraw/zinc/44/19/98/179441998.db2.gz WROFBEWUSGNBCL-GFCCVEGCSA-N 1 0 289.379 2.127 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N[C@@H](CC)c1nccs1 ZINC000087534772 179442723 /nfs/dbraw/zinc/44/27/23/179442723.db2.gz JNJGCFMPRPRONL-ZJUUUORDSA-N 1 0 255.387 2.085 10 0 CEAERO COCc1cc([C@@H](C)[NH2+]CCc2c[nH]cn2)ccc1OC ZINC000087543823 179442998 /nfs/dbraw/zinc/44/29/98/179442998.db2.gz KWUZLGHMEYADNL-GFCCVEGCSA-N 1 0 289.379 2.458 10 0 CEAERO Cc1cc(C[NH2+]C[C@@H](O)COCC(C)C)sc1C ZINC000087580488 179449744 /nfs/dbraw/zinc/44/97/44/179449744.db2.gz BHTIILNPKZJHJJ-CYBMUJFWSA-N 1 0 271.426 2.488 10 0 CEAERO COC1CC[NH+](CCCC(C)(C)C(N)=S)CC1 ZINC000087607844 179453472 /nfs/dbraw/zinc/45/34/72/179453472.db2.gz RVYMPAMSYSAQMR-UHFFFAOYSA-N 1 0 258.431 2.190 10 0 CEAERO CC[C@H](C)CN(C)c1cc(NN)[nH+]c(C(C)C)n1 ZINC000087909489 179517067 /nfs/dbraw/zinc/51/70/67/179517067.db2.gz WFJPQIVXFAJIGU-JTQLQIEISA-N 1 0 251.378 2.368 10 0 CEAERO CC(C)(C)N1CC[NH2+]C[C@H]1c1cc2ccccc2nn1 ZINC000616635602 348542122 /nfs/dbraw/zinc/54/21/22/348542122.db2.gz IKFCLYNMBRPFEB-HNNXBMFYSA-N 1 0 270.380 2.375 10 0 CEAERO COc1ccccc1N[C@]1(C[NH3+])CCCOCC1 ZINC000087912855 179520587 /nfs/dbraw/zinc/52/05/87/179520587.db2.gz SRERVSDLSPNHJB-CQSZACIVSA-N 1 0 250.342 2.005 10 0 CEAERO CCC[NH2+][C@H](c1ccnn1CC)[C@@H]1CCCOC1 ZINC000087815020 179491000 /nfs/dbraw/zinc/49/10/00/179491000.db2.gz JSKAFIDVHUZJBW-OCCSQVGLSA-N 1 0 251.374 2.370 10 0 CEAERO Cc1nnc(S[C@H](C[NH3+])c2cccc(C)c2)n1C ZINC000104185541 185919648 /nfs/dbraw/zinc/91/96/48/185919648.db2.gz WNKYIYRCRGJBJY-GFCCVEGCSA-N 1 0 262.382 2.224 10 0 CEAERO CC[N@@H+]1CCOCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC000616656645 348549937 /nfs/dbraw/zinc/54/99/37/348549937.db2.gz WSOAOBIQPWPPMP-LBPRGKRZSA-N 1 0 272.389 2.012 10 0 CEAERO C[NH2+][C@@H](Cc1csc2ccccc12)[C@H]1COCCO1 ZINC000087857740 179502453 /nfs/dbraw/zinc/50/24/53/179502453.db2.gz BQSPSJJRXHYCQG-UONOGXRCSA-N 1 0 277.389 2.447 10 0 CEAERO CCC[NH2+][C@@H](c1ccccc1OC)[C@H]1COCCO1 ZINC000087858692 179502757 /nfs/dbraw/zinc/50/27/57/179502757.db2.gz PJHUOVHRFHCURJ-CABCVRRESA-N 1 0 265.353 2.151 10 0 CEAERO CCC[NH2+][C@H](Cc1ccsc1)[C@H]1COCCO1 ZINC000087858405 179502823 /nfs/dbraw/zinc/50/28/23/179502823.db2.gz FBGISSSUHWQROV-CHWSQXEVSA-N 1 0 255.383 2.074 10 0 CEAERO [NH3+]C[C@H](S[C@@H]1CCOC1)C(F)(F)C(F)(F)F ZINC000616569524 348523650 /nfs/dbraw/zinc/52/36/50/348523650.db2.gz LYTGMCLINBTHCS-RITPCOANSA-N 1 0 265.247 2.033 10 0 CEAERO [NH3+]CCN1CCO[C@@H](c2cccc(Cl)c2)CC1 ZINC000616594023 348528455 /nfs/dbraw/zinc/52/84/55/348528455.db2.gz BVYHJNPBZAJBNE-CYBMUJFWSA-N 1 0 254.761 2.062 10 0 CEAERO [NH3+]CCN1CCCO[C@@H](c2ccccc2Cl)C1 ZINC000616597176 348528930 /nfs/dbraw/zinc/52/89/30/348528930.db2.gz ATIHDANEQCTMBB-CYBMUJFWSA-N 1 0 254.761 2.062 10 0 CEAERO CC(=O)Nc1ccccc1[C@H]1CCCN(CC[NH3+])CC1 ZINC000616600154 348529886 /nfs/dbraw/zinc/52/98/86/348529886.db2.gz FDPKPMJRHYXWQJ-AWEZNQCLSA-N 1 0 275.396 2.173 10 0 CEAERO C[C@H](Nc1nc(NN)[nH+]cc1Cl)c1nccs1 ZINC000087881431 179509501 /nfs/dbraw/zinc/50/95/01/179509501.db2.gz VMPABXCPZHQPSE-YFKPBYRVSA-N 1 0 270.749 2.045 10 0 CEAERO CC[C@@H]1CC[C@@H](Nc2nc(NN)[nH+]cc2F)[C@@H]1C ZINC000087883058 179510295 /nfs/dbraw/zinc/51/02/95/179510295.db2.gz KUHHVXWZUJNYCQ-NQMVMOMDSA-N 1 0 253.325 2.138 10 0 CEAERO OCC[N@@H+]1CCCC[C@H]1c1ccc2nnccc2c1 ZINC000616616697 348535798 /nfs/dbraw/zinc/53/57/98/348535798.db2.gz UJSLBHDZPDWUAF-HNNXBMFYSA-N 1 0 257.337 2.149 10 0 CEAERO CCOC(=O)c1ccccc1C1CC[NH+](CCO)CC1 ZINC000616619983 348536387 /nfs/dbraw/zinc/53/63/87/348536387.db2.gz TXKKCYFRRHMWIZ-UHFFFAOYSA-N 1 0 277.364 2.035 10 0 CEAERO OCC[NH+]1CCC(c2cccc3cccnc32)CC1 ZINC000616619394 348536650 /nfs/dbraw/zinc/53/66/50/348536650.db2.gz IXQXYOHRDNSRGR-UHFFFAOYSA-N 1 0 256.349 2.407 10 0 CEAERO [NH3+]CCN1CCC(c2ccc3ccncc3c2)CC1 ZINC000616620333 348537304 /nfs/dbraw/zinc/53/73/04/348537304.db2.gz WFNWUAACIKFVEK-UHFFFAOYSA-N 1 0 255.365 2.373 10 0 CEAERO NNc1nc(Nc2cccc(F)c2)c(Cl)c[nH+]1 ZINC000087896739 179515849 /nfs/dbraw/zinc/51/58/49/179515849.db2.gz GTNFYJRYUWVBNK-UHFFFAOYSA-N 1 0 253.668 2.298 10 0 CEAERO [NH3+][C@@H](CC1CCOCC1)[C@H]1COc2ccccc2C1 ZINC000088020576 179536812 /nfs/dbraw/zinc/53/68/12/179536812.db2.gz CYJYBKLAUSRNQI-CABCVRRESA-N 1 0 261.365 2.382 10 0 CEAERO C[C@H](C[NH3+])[S@@](=O)Cc1cccc(Br)c1 ZINC000088068012 179544244 /nfs/dbraw/zinc/54/42/44/179544244.db2.gz YPWQUWPVVPLEBZ-XLKFXECMSA-N 1 0 276.199 2.045 10 0 CEAERO CCN(CCc1ccc2c(c1)CCO2)[C@H]1CCC[NH2+]C1 ZINC000088103078 179549075 /nfs/dbraw/zinc/54/90/75/179549075.db2.gz LFQFJOCARIBLSS-INIZCTEOSA-N 1 0 274.408 2.238 10 0 CEAERO C[C@@H]1CC[C@H]([NH3+])[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C)C1 ZINC000088148566 179557289 /nfs/dbraw/zinc/55/72/89/179557289.db2.gz BQYLWRWMMIJCNI-XHJNMGKDSA-N 1 0 252.402 2.445 10 0 CEAERO CCN(C)C(=O)COc1cccc2c1CCC[C@H]2[NH2+]C ZINC000088151592 179557686 /nfs/dbraw/zinc/55/76/86/179557686.db2.gz MBQVNBDBBHAVGA-CQSZACIVSA-N 1 0 276.380 2.141 10 0 CEAERO CCC[NH2+][C@@H]1CCCc2c(O[C@@H](C)C(N)=O)cccc21 ZINC000088152414 179557736 /nfs/dbraw/zinc/55/77/36/179557736.db2.gz RFWJPPKRRYEXRQ-SMDDNHRTSA-N 1 0 276.380 2.316 10 0 CEAERO Cc1ccnc(Cl)c1NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000088188941 179560957 /nfs/dbraw/zinc/56/09/57/179560957.db2.gz WYIRWRDFGVXXEO-ZJUUUORDSA-N 1 0 267.760 2.499 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N(C)[C@@H](C)Cc1ccccc1OC ZINC000088201812 179565013 /nfs/dbraw/zinc/56/50/13/179565013.db2.gz UTTHKJZUNRMVLZ-KBPBESRZSA-N 1 0 292.423 2.473 10 0 CEAERO OCCc1ccc([C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000616680139 348558951 /nfs/dbraw/zinc/55/89/51/348558951.db2.gz INXBPDJIHZOXNT-QGZVFWFLSA-N 1 0 253.345 2.457 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C(=O)N(C)Cc2ccc(F)cc2)C1 ZINC000088450122 179606093 /nfs/dbraw/zinc/60/60/93/179606093.db2.gz JOHWPKBMWCQSIK-DGCLKSJQSA-N 1 0 264.344 2.030 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H](C(=O)Nc2cc(F)c(F)c(F)c2)C1 ZINC000088450994 179606802 /nfs/dbraw/zinc/60/68/02/179606802.db2.gz YNVFNMGGOBBQLG-JGVFFNPUSA-N 1 0 272.270 2.288 10 0 CEAERO CC[NH2+][C@H]1CCCc2c(OCc3ncnn3C)cccc21 ZINC000088571844 179628394 /nfs/dbraw/zinc/62/83/94/179628394.db2.gz DSEFORFTSGNDJT-AWEZNQCLSA-N 1 0 286.379 2.381 10 0 CEAERO CC[NH2+][C@@H](Cc1ncnn1C)Cc1ccc(F)cc1Cl ZINC000088582128 179629158 /nfs/dbraw/zinc/62/91/58/179629158.db2.gz MCLOTVPXHWOPMR-GFCCVEGCSA-N 1 0 296.777 2.371 10 0 CEAERO CC(C)n1ncnc1COC1(C[NH3+])CCCCC1 ZINC000088584921 179630649 /nfs/dbraw/zinc/63/06/49/179630649.db2.gz YCTBJUWUVGNZGB-UHFFFAOYSA-N 1 0 252.362 2.037 10 0 CEAERO C[NH2+]Cc1ccc(OCc2ncnn2CC(C)C)cc1 ZINC000088585398 179631132 /nfs/dbraw/zinc/63/11/32/179631132.db2.gz FCVRCNZFZDZRRR-UHFFFAOYSA-N 1 0 274.368 2.233 10 0 CEAERO Cc1cccc(Cc2noc([C@H]3C[NH2+]C[C@H]3C)n2)c1 ZINC000104207614 185932074 /nfs/dbraw/zinc/93/20/74/185932074.db2.gz MIXTYKGSKHCKTM-YPMHNXCESA-N 1 0 257.337 2.292 10 0 CEAERO CC(C)Cn1ncnc1C[C@@H](C[NH3+])Cc1ccc(F)cc1 ZINC000088619925 179640525 /nfs/dbraw/zinc/64/05/25/179640525.db2.gz NHMRHOIKJIFMBN-AWEZNQCLSA-N 1 0 290.386 2.433 10 0 CEAERO CCn1ncnc1CN1C[C@@H](C(C)(C)C)[NH2+]C[C@@]1(C)CC ZINC000088625440 179642403 /nfs/dbraw/zinc/64/24/03/179642403.db2.gz VKRALCNAXLFUDU-XJKSGUPXSA-N 1 0 293.459 2.287 10 0 CEAERO CC[C@H]1CN(Cc2ncnn2C(C)C)[C@@](C)(C2CC2)C[NH2+]1 ZINC000088625401 179642415 /nfs/dbraw/zinc/64/24/15/179642415.db2.gz AJXXSVYEZZYYAQ-GOEBONIOSA-N 1 0 291.443 2.212 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1Cc1ncnn1C(C)C ZINC000088625420 179642458 /nfs/dbraw/zinc/64/24/58/179642458.db2.gz VQYFLKUQPWBNIE-KGLIPLIRSA-N 1 0 293.459 2.458 10 0 CEAERO CSCC[C@H]([NH3+])C(=O)N[C@@H]1CCCCC[C@@H]1C ZINC000088514293 179616194 /nfs/dbraw/zinc/61/61/94/179616194.db2.gz KJKMIMZVZFIBPE-SDDRHHMPSA-N 1 0 258.431 2.152 10 0 CEAERO CC[C@]1(C(=O)N2C[C@@H](C)CC[C@@H]2C)CCC[NH2+]C1 ZINC000088705377 179653440 /nfs/dbraw/zinc/65/34/40/179653440.db2.gz OUURTXPTCVORRX-YDHLFZDLSA-N 1 0 252.402 2.413 10 0 CEAERO CCOC[C@H](Cc1ccn(C(CC)CC)n1)[NH2+]C ZINC000088737882 179661341 /nfs/dbraw/zinc/66/13/41/179661341.db2.gz WQVDPZHOJCKSIJ-ZDUSSCGKSA-N 1 0 253.390 2.411 10 0 CEAERO CC(C)(C)[NH2+]CCc1nnc([C@@H]2CCCOC2)s1 ZINC000088823770 179678623 /nfs/dbraw/zinc/67/86/23/179678623.db2.gz SRONMMBDVVSOEO-SNVBAGLBSA-N 1 0 269.414 2.363 10 0 CEAERO COc1ccccc1[C@@H](C[NH3+])Sc1ccncn1 ZINC000104236601 185938687 /nfs/dbraw/zinc/93/86/87/185938687.db2.gz YWWNNKSSXMRVJE-GFCCVEGCSA-N 1 0 261.350 2.277 10 0 CEAERO C[NH2+][C@H](CCC(F)(F)F)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000088833202 179679883 /nfs/dbraw/zinc/67/98/83/179679883.db2.gz SURPFEWFAXLLOZ-MRVPVSSYSA-N 1 0 273.258 2.459 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)CCc1c[nH]c2ccccc12 ZINC000089090884 179697700 /nfs/dbraw/zinc/69/77/00/179697700.db2.gz MXIHWHOWKKTGMK-DOMZBBRYSA-N 1 0 285.391 2.344 10 0 CEAERO CC(C)(C)c1nnsc1C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089106647 179702232 /nfs/dbraw/zinc/70/22/32/179702232.db2.gz CDRDQUAJTXBNNP-VHSXEESVSA-N 1 0 296.440 2.083 10 0 CEAERO CN(C(=O)Cc1c[nH]c2ccccc12)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089110332 179705377 /nfs/dbraw/zinc/70/53/77/179705377.db2.gz YLNOMWKPIQMMSA-BLLLJJGKSA-N 1 0 285.391 2.296 10 0 CEAERO COc1ccccc1NC(=O)N(C)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089111317 179706153 /nfs/dbraw/zinc/70/61/53/179706153.db2.gz OJOPQOVJEXPXPB-WCQYABFASA-N 1 0 277.368 2.286 10 0 CEAERO CCc1nc(CN(C)[C@H]2CCC[C@@H]2C[NH3+])cs1 ZINC000089112355 179706753 /nfs/dbraw/zinc/70/67/53/179706753.db2.gz PRMOJBZXQBGXGH-PWSUYJOCSA-N 1 0 253.415 2.265 10 0 CEAERO CCC(CC)(CC)NS(=O)(=O)[C@H](C)C[NH2+]C(C)C ZINC000089049325 179693250 /nfs/dbraw/zinc/69/32/50/179693250.db2.gz LHNCOZUWCHUGKD-GFCCVEGCSA-N 1 0 278.462 2.261 10 0 CEAERO CC1CCN(c2nc3ccccn3c2CC[NH3+])CC1 ZINC000104261767 185946657 /nfs/dbraw/zinc/94/66/57/185946657.db2.gz ZMBVBVCCIMYESZ-UHFFFAOYSA-N 1 0 258.369 2.072 10 0 CEAERO CN(C(=O)c1ccc(Cl)cn1)[C@H]1CCCC[C@H]1C[NH3+] ZINC000089119405 179711793 /nfs/dbraw/zinc/71/17/93/179711793.db2.gz QKCWPXDUYGPQSC-GWCFXTLKSA-N 1 0 281.787 2.325 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc(F)c(N(C)CCOC)c(F)c1 ZINC000104276422 185952026 /nfs/dbraw/zinc/95/20/26/185952026.db2.gz HAICZXNYWYLNEW-LLVKDONJSA-N 1 0 272.339 2.327 10 0 CEAERO CCOC(=O)c1ccc(N[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089148064 179723878 /nfs/dbraw/zinc/72/38/78/179723878.db2.gz QDNIWMGUJGIMME-GXTWGEPZSA-N 1 0 262.353 2.403 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1Nc1cccc(N2CCOC2=O)c1 ZINC000089149222 179724929 /nfs/dbraw/zinc/72/49/29/179724929.db2.gz FZCWVWAMJHUJDO-BXUZGUMPSA-N 1 0 275.352 2.183 10 0 CEAERO COC(=O)Nc1ccc(N[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089149287 179725451 /nfs/dbraw/zinc/72/54/51/179725451.db2.gz YYEJEOAPHWBINV-GWCFXTLKSA-N 1 0 263.341 2.404 10 0 CEAERO CCn1nc(C)cc1C[NH2+][C@]1(CO)CCC[C@@H](C)C1 ZINC000089183842 179745883 /nfs/dbraw/zinc/74/58/83/179745883.db2.gz PSZSFESWWLXEMY-IUODEOHRSA-N 1 0 265.401 2.242 10 0 CEAERO CCc1cc(CN(CC[NH3+])C2CCCC2)n(CC)n1 ZINC000089181905 179746462 /nfs/dbraw/zinc/74/64/62/179746462.db2.gz JZWXNGYPVQRLPY-UHFFFAOYSA-N 1 0 264.417 2.169 10 0 CEAERO CC[NH2+]C[C@H]1CCCCN1Cc1c(Cl)c(C)nn1C ZINC000089234439 179759654 /nfs/dbraw/zinc/75/96/54/179759654.db2.gz IGHJAXZZSILIDR-GFCCVEGCSA-N 1 0 284.835 2.346 10 0 CEAERO C[NH2+][C@H](Cc1c(Cl)c(C)nn1C)Cc1ccccn1 ZINC000089250794 179760978 /nfs/dbraw/zinc/76/09/78/179760978.db2.gz NNTZFJIGFZZBIK-LBPRGKRZSA-N 1 0 278.787 2.150 10 0 CEAERO C[C@H]1C[C@H](O)C[N@H+](CCSc2ccccc2)C1 ZINC000401597179 233183563 /nfs/dbraw/zinc/18/35/63/233183563.db2.gz WTZGVFJDLUVKQE-STQMWFEESA-N 1 0 251.395 2.481 10 0 CEAERO CCn1nc(C)cc1C[C@H]([NH3+])Cc1cccc(OC)c1 ZINC000089193557 179750038 /nfs/dbraw/zinc/75/00/38/179750038.db2.gz FAYSODJIKZRFQV-CQSZACIVSA-N 1 0 273.380 2.333 10 0 CEAERO C[C@H]1C[C@@H](O)C[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000401921387 233186238 /nfs/dbraw/zinc/18/62/38/233186238.db2.gz XCZFQHGYNMSYAD-CMPLNLGQSA-N 1 0 271.307 2.491 10 0 CEAERO Cc1cc(C[C@@H]([NH3+])Cc2ccc(C)c(C)c2)n(C)n1 ZINC000089194391 179750602 /nfs/dbraw/zinc/75/06/02/179750602.db2.gz MBKRDUVABBEHJG-HNNXBMFYSA-N 1 0 257.381 2.458 10 0 CEAERO CCC[NH2+][C@@H](COCC)Cc1cc(CC)nn1CC ZINC000089201412 179752240 /nfs/dbraw/zinc/75/22/40/179752240.db2.gz SPTZEFXHQMWXNF-CQSZACIVSA-N 1 0 267.417 2.413 10 0 CEAERO COc1cc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])cc(OC)c1 ZINC000089449114 539716218 /nfs/dbraw/zinc/71/62/18/539716218.db2.gz IBVLXSQUKDXNDJ-HZMBPMFUSA-N 1 0 278.352 2.017 10 0 CEAERO COc1cc(C)c(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])cc1OC ZINC000089452880 539716578 /nfs/dbraw/zinc/71/65/78/539716578.db2.gz KADOJPZDAJQQCP-NWDGAFQWSA-N 1 0 292.379 2.326 10 0 CEAERO CCOc1cccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000089454914 539717237 /nfs/dbraw/zinc/71/72/37/539717237.db2.gz ALFSCCBWGPVRFY-FZMZJTMJSA-N 1 0 262.353 2.399 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@H](C)CN1Cc1cc(CC)nn1CC ZINC000089208707 179754767 /nfs/dbraw/zinc/75/47/67/179754767.db2.gz OVKRMQXHRVLYEW-DZGCQCFKSA-N 1 0 278.444 2.428 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCc1ccc(OC(F)F)cc1 ZINC000089459549 539718533 /nfs/dbraw/zinc/71/85/33/539718533.db2.gz FUQOFVMVQLUUOL-AAEUAGOBSA-N 1 0 298.333 2.279 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1cc(C)nn1C ZINC000089210792 179755733 /nfs/dbraw/zinc/75/57/33/179755733.db2.gz PELISRGYOXILTL-NVXWUHKLSA-N 1 0 290.455 2.471 10 0 CEAERO C[C@@H](Nc1cnn(Cc2ccccc2)c1)[C@@H]1CC[NH2+]C1 ZINC000400336959 233176250 /nfs/dbraw/zinc/17/62/50/233176250.db2.gz FKPMUWRYJDLARB-UKRRQHHQSA-N 1 0 270.380 2.341 10 0 CEAERO CCc1nn(CC)c(C[C@H]([NH3+])C2CCOCC2)c1Cl ZINC000089361098 179772933 /nfs/dbraw/zinc/77/29/33/179772933.db2.gz CSHMKGCMWYWPMM-NSHDSACASA-N 1 0 285.819 2.415 10 0 CEAERO CCn1nc(C)c(Cl)c1C[C@]([NH3+])(CC)COC ZINC000089292376 179766213 /nfs/dbraw/zinc/76/62/13/179766213.db2.gz WNISDWQYKURLNI-GFCCVEGCSA-N 1 0 259.781 2.161 10 0 CEAERO CC[NH2+][C@H](Cc1c(Cl)c(C)nn1CC)c1cnn(C)c1 ZINC000089297747 179766817 /nfs/dbraw/zinc/76/68/17/179766817.db2.gz FJIKQZFLCHWUPI-GFCCVEGCSA-N 1 0 295.818 2.492 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@H]1C(=O)Nc1cccnc1Cl ZINC000089389352 179778086 /nfs/dbraw/zinc/77/80/86/179778086.db2.gz PFWIGYYKSOVMLB-NXEZZACHSA-N 1 0 267.760 2.439 10 0 CEAERO CC(=O)c1csc(NC(=O)[C@@H]2CCCC[C@H]2C[NH3+])n1 ZINC000089400782 179781419 /nfs/dbraw/zinc/78/14/19/179781419.db2.gz RFINJRLDADNFEM-VHSXEESVSA-N 1 0 281.381 2.049 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000089461762 179796811 /nfs/dbraw/zinc/79/68/11/179796811.db2.gz WDBNEMKPCRZJFC-VXNVDRBHSA-N 1 0 272.270 2.417 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1ccccc1-n1cccn1 ZINC000089452615 179792806 /nfs/dbraw/zinc/79/28/06/179792806.db2.gz RVOLZDZISSCDFS-QWHCGFSZSA-N 1 0 284.363 2.186 10 0 CEAERO Cc1nn(C(C)C)c(C)c1NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089455085 179793874 /nfs/dbraw/zinc/79/38/74/179793874.db2.gz DMSZYNFEDVYPPZ-QWHCGFSZSA-N 1 0 278.400 2.394 10 0 CEAERO COc1ccccc1N(C)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089461175 179795855 /nfs/dbraw/zinc/79/58/55/179795855.db2.gz ZKEZQVCOMRJHCQ-VXGBXAGGSA-N 1 0 262.353 2.033 10 0 CEAERO CS(=O)(=O)c1ccccc1NC[C@H]1CCCC[C@H]1C[NH3+] ZINC000089532379 179811642 /nfs/dbraw/zinc/81/16/42/179811642.db2.gz ASZXEVYXTBQSEI-QWHCGFSZSA-N 1 0 296.436 2.267 10 0 CEAERO NC(=O)c1ccccc1COC[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089536037 179812530 /nfs/dbraw/zinc/81/25/30/179812530.db2.gz DCQFQGRADAKQLD-STQMWFEESA-N 1 0 276.380 2.067 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1COc1cc2ccccc2c(=O)[nH]1 ZINC000089538590 179813653 /nfs/dbraw/zinc/81/36/53/179813653.db2.gz LMELYEMKHHWDKE-CHWSQXEVSA-N 1 0 272.348 2.282 10 0 CEAERO CCc1ccccc1CNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089482118 179801057 /nfs/dbraw/zinc/80/10/57/179801057.db2.gz STUKGIOTISKTQU-DZGCQCFKSA-N 1 0 260.381 2.240 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1CNC(=O)C1(c2ccccc2)CC1 ZINC000089500384 179805015 /nfs/dbraw/zinc/80/50/15/179805015.db2.gz JLRDETDJKUNFLQ-KBPBESRZSA-N 1 0 272.392 2.209 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1CNc1ncnc2ccsc21 ZINC000089501248 179805317 /nfs/dbraw/zinc/80/53/17/179805317.db2.gz XJCZRTNVEYMXTM-ZJUUUORDSA-N 1 0 262.382 2.478 10 0 CEAERO CCOC(=O)CCCCC[NH2+]C[C@H]1CCCC[C@H]1CO ZINC000089529391 179810338 /nfs/dbraw/zinc/81/03/38/179810338.db2.gz QYNPPEPBLVRNMC-CABCVRRESA-N 1 0 285.428 2.498 10 0 CEAERO CCCC1([NH3+])CN(c2ncnc3sc(C)cc32)C1 ZINC000089655618 179841808 /nfs/dbraw/zinc/84/18/08/179841808.db2.gz WYXBGSUUAAMCRJ-UHFFFAOYSA-N 1 0 262.382 2.317 10 0 CEAERO CCCCCSc1nnnn1CC[NH2+]CC(C)C ZINC000089691198 179848023 /nfs/dbraw/zinc/84/80/23/179848023.db2.gz HXHSUFIFQFRXKB-UHFFFAOYSA-N 1 0 271.434 2.201 10 0 CEAERO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCC(=O)N(C)C2=O)c(C)c1 ZINC000090024665 179907442 /nfs/dbraw/zinc/90/74/42/179907442.db2.gz HZCUXRNDCLVUCS-KBPBESRZSA-N 1 0 288.391 2.410 10 0 CEAERO CCc1cc(C(=O)N(CC)[C@H]2CCC[C@@H]2C[NH3+])n(CC)n1 ZINC000090138888 179918692 /nfs/dbraw/zinc/91/86/92/179918692.db2.gz QZWQGFBSANLUTQ-OCCSQVGLSA-N 1 0 292.427 2.055 10 0 CEAERO CCC(F)(F)C(C)(C)C[NH2+]CC1(O)CCOCC1 ZINC000623400678 350010410 /nfs/dbraw/zinc/01/04/10/350010410.db2.gz BWJZUHYUPRSQRL-UHFFFAOYSA-N 1 0 265.344 2.189 10 0 CEAERO CCCN(C(=O)c1ccc(F)cc1Cl)C1C[NH2+]C1 ZINC000090292887 179951353 /nfs/dbraw/zinc/95/13/53/179951353.db2.gz KUXIXIUSESXOEP-UHFFFAOYSA-N 1 0 270.735 2.303 10 0 CEAERO CCCN(CCOc1cccc(Cl)c1)C1C[NH2+]C1 ZINC000090293536 179951822 /nfs/dbraw/zinc/95/18/22/179951822.db2.gz SSVAQSJTWVAIAZ-UHFFFAOYSA-N 1 0 268.788 2.403 10 0 CEAERO COc1cccc(Cl)c1CNC(=O)C[C@H]([NH3+])C(C)C ZINC000234880282 539742297 /nfs/dbraw/zinc/74/22/97/539742297.db2.gz XNZQGUDZFPJDBF-LBPRGKRZSA-N 1 0 284.787 2.338 10 0 CEAERO CC(C)C[NH2+]Cc1cncn1CCc1cccnc1 ZINC000090240888 179938170 /nfs/dbraw/zinc/93/81/70/179938170.db2.gz VMMOXPAZFMEBTB-UHFFFAOYSA-N 1 0 258.369 2.266 10 0 CEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C(=O)Nc1ccc(OC)cc1 ZINC000090331472 179963005 /nfs/dbraw/zinc/96/30/05/179963005.db2.gz ZKIUHNMFTRTNDB-BYCMXARLSA-N 1 0 289.379 2.157 10 0 CEAERO Cc1ccc(C(=O)N2C[C@H]3C[NH2+]C[C@@H]3C2(C)C)cc1C ZINC000090336364 179965127 /nfs/dbraw/zinc/96/51/27/179965127.db2.gz GMHNFAFDQGYDRD-CABCVRRESA-N 1 0 272.392 2.373 10 0 CEAERO CC(C)c1cc(NC(=O)CSC[C@@H](C)C[NH3+])on1 ZINC000090350106 179972008 /nfs/dbraw/zinc/97/20/08/179972008.db2.gz SQESBWOOTALEJY-VIFPVBQESA-N 1 0 271.386 2.065 10 0 CEAERO C[C@@H](CC[NH3+])SCC(=O)Nc1ccccc1F ZINC000090354374 179973577 /nfs/dbraw/zinc/97/35/77/179973577.db2.gz GKDIJOGLWWYUTQ-VIFPVBQESA-N 1 0 256.346 2.235 10 0 CEAERO CC[C@@H]([NH3+])CSCC(=O)Nc1cccc2nsnc21 ZINC000090356869 179975742 /nfs/dbraw/zinc/97/57/42/179975742.db2.gz KSKCCYQPJDPTHM-MRVPVSSYSA-N 1 0 296.421 2.100 10 0 CEAERO C[NH2+][C@@H]1COC[C@H]1c1nc(-c2ccc(F)cc2Cl)no1 ZINC000090423945 179984628 /nfs/dbraw/zinc/98/46/28/179984628.db2.gz SDZUTFZFBAEGJC-MWLCHTKSSA-N 1 0 297.717 2.231 10 0 CEAERO Cc1ncsc1CN(C)[C@H](c1ccncc1)[C@@H](C)[NH3+] ZINC000104440809 186003194 /nfs/dbraw/zinc/00/31/94/186003194.db2.gz QAGCAQNIWQGJOU-YGRLFVJLSA-N 1 0 276.409 2.367 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)N(C)C1CCC(CC)CC1 ZINC000090542567 180000719 /nfs/dbraw/zinc/00/07/19/180000719.db2.gz HIHNGOVDAOQOAX-QDIHITRGSA-N 1 0 296.455 2.428 10 0 CEAERO c1cn(-c2ccc(CSCC3C[NH2+]C3)cc2)cn1 ZINC000090712558 180028660 /nfs/dbraw/zinc/02/86/60/180028660.db2.gz MJCUWNUPUBCCPM-UHFFFAOYSA-N 1 0 259.378 2.325 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1CN(C)Cc1ccc(F)cc1 ZINC000090566303 180005509 /nfs/dbraw/zinc/00/55/09/180005509.db2.gz GVVSLBLAMRGUOL-ZBFHGGJFSA-N 1 0 280.387 2.272 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1CN(C)Cc1ccoc1C ZINC000090566363 180006064 /nfs/dbraw/zinc/00/60/64/180006064.db2.gz FAAPKMQFOUCGIE-CABCVRRESA-N 1 0 266.385 2.034 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1CN(C)c1cccc(OC)c1 ZINC000090566691 180006316 /nfs/dbraw/zinc/00/63/16/180006316.db2.gz FVWIDTUSEXKNRS-BBRMVZONSA-N 1 0 278.396 2.146 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1CN(C)c1cccc(OC)c1 ZINC000090566690 180006656 /nfs/dbraw/zinc/00/66/56/180006656.db2.gz FVWIDTUSEXKNRS-XJKSGUPXSA-N 1 0 278.396 2.146 10 0 CEAERO CCCn1c2ccc(F)cc2nc1[C@@]1(C)COC[C@H]1[NH3+] ZINC000090571723 180007896 /nfs/dbraw/zinc/00/78/96/180007896.db2.gz WBAJJIFLDQECMO-HIFRSBDPSA-N 1 0 277.343 2.201 10 0 CEAERO Cc1cc(OC(C)C)ccc1NC(=O)[C@]1(C)COC[C@@H]1[NH3+] ZINC000090590069 180010345 /nfs/dbraw/zinc/01/03/45/180010345.db2.gz WDVAKIHCECJIGI-GOEBONIOSA-N 1 0 292.379 2.085 10 0 CEAERO CCN(C(=O)[C@]1(C)COC[C@@H]1[NH3+])[C@@H](C)c1ccc(F)cc1 ZINC000090593617 180010415 /nfs/dbraw/zinc/01/04/15/180010415.db2.gz OUOUJCGSABCAJT-HZUKXOBISA-N 1 0 294.370 2.099 10 0 CEAERO CC(C)CCCCCCNC(=O)[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090598587 180010522 /nfs/dbraw/zinc/01/05/22/180010522.db2.gz MTSAEXZCIAWOAK-ZFWWWQNUSA-N 1 0 270.417 2.073 10 0 CEAERO [NH3+]C1CN(C(=O)Cc2ccc(Oc3ccccc3)cc2)C1 ZINC000090601071 180011139 /nfs/dbraw/zinc/01/11/39/180011139.db2.gz LNIOIWHCCPMWHM-UHFFFAOYSA-N 1 0 282.343 2.191 10 0 CEAERO c1nn(-c2ccccc2)cc1CSCC1C[NH2+]C1 ZINC000090712859 180028863 /nfs/dbraw/zinc/02/88/63/180028863.db2.gz REVCDQMMKAUCQC-UHFFFAOYSA-N 1 0 259.378 2.325 10 0 CEAERO CCC1(C(=O)NCC2(C)CCCC2)CC[NH2+]CC1 ZINC000104437744 186002563 /nfs/dbraw/zinc/00/25/63/186002563.db2.gz RQPWUNNMIPBNFN-UHFFFAOYSA-N 1 0 252.402 2.463 10 0 CEAERO Cc1cc(C)c(C(N)=[NH2+])c(O[C@H](C)C(F)(F)F)n1 ZINC000090673165 180021847 /nfs/dbraw/zinc/02/18/47/180021847.db2.gz IKEWUDHSJMVRFI-SSDOTTSWSA-N 1 0 261.247 2.312 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)C[C@H](C)O[C@@H](C)C(F)(F)F ZINC000090676056 180022659 /nfs/dbraw/zinc/02/26/59/180022659.db2.gz QORULYOKMOZJDP-DCAQKATOSA-N 1 0 271.323 2.481 10 0 CEAERO CC(C)NC(=O)N1CCCSC[C@H]1C[NH+]1CCCCC1 ZINC000090701791 180028139 /nfs/dbraw/zinc/02/81/39/180028139.db2.gz XJJRSASUSLRJDR-CQSZACIVSA-N 1 0 299.484 2.398 10 0 CEAERO CCN(c1ncncc1Br)[C@H]1CCC[C@@H]1C[NH3+] ZINC000090781820 180038911 /nfs/dbraw/zinc/03/89/11/180038911.db2.gz RTALVHRBFGZBOK-KOLCDFICSA-N 1 0 299.216 2.193 10 0 CEAERO Cn1c2ccc(F)cc2nc1-c1csc(C[NH3+])n1 ZINC000090932820 180066742 /nfs/dbraw/zinc/06/67/42/180066742.db2.gz WOYLSRHAOUNDHY-UHFFFAOYSA-N 1 0 262.313 2.295 10 0 CEAERO CC(C)Oc1cc(N(CCC[NH3+])C2CCCC2)ncn1 ZINC000090785980 180040180 /nfs/dbraw/zinc/04/01/80/180040180.db2.gz WZJFPXSUOYPMCD-UHFFFAOYSA-N 1 0 278.400 2.362 10 0 CEAERO CCCOc1cc(NC[C@H]2CCCC[C@@H]2C[NH3+])ncn1 ZINC000090785742 180040309 /nfs/dbraw/zinc/04/03/09/180040309.db2.gz ZLPSZSPDBFVBLG-CHWSQXEVSA-N 1 0 278.400 2.442 10 0 CEAERO CC(C)Oc1cc(N[C@@H]2CCCC[C@@H]2C[NH3+])ncn1 ZINC000090786205 180040742 /nfs/dbraw/zinc/04/07/42/180040742.db2.gz SPAAKWVACZDJMB-VXGBXAGGSA-N 1 0 264.373 2.193 10 0 CEAERO CC(C)Oc1cc(Nc2cccc(C[NH3+])c2)ncn1 ZINC000090786631 180040975 /nfs/dbraw/zinc/04/09/75/180040975.db2.gz MMWJDONPHWEUIE-UHFFFAOYSA-N 1 0 258.325 2.466 10 0 CEAERO CCOc1ncnc(NC[C@@H]2CCC[N@@H+]2CC)c1C ZINC000090790670 180041787 /nfs/dbraw/zinc/04/17/87/180041787.db2.gz BTELDDNDDAJMGV-LBPRGKRZSA-N 1 0 264.373 2.080 10 0 CEAERO CCOc1ncnc(N[C@@H]2CCCCC[C@H]2[NH3+])c1C ZINC000090789622 180041892 /nfs/dbraw/zinc/04/18/92/180041892.db2.gz CEUJJDDQFGQZFB-VXGBXAGGSA-N 1 0 264.373 2.256 10 0 CEAERO C[C@H](C[NH2+][C@@H]1CSCc2ccccc21)[S@](C)=O ZINC000090842873 180044106 /nfs/dbraw/zinc/04/41/06/180044106.db2.gz UFGOYOPKLHCWKD-OMXAPOSASA-N 1 0 269.435 2.331 10 0 CEAERO CCC[NH2+][C@@H]1C[C@H](O[C@@H]2CCOC2)C12CCCC2 ZINC000090864151 180047687 /nfs/dbraw/zinc/04/76/87/180047687.db2.gz YZMGSKVESQQUGZ-MCIONIFRSA-N 1 0 253.386 2.493 10 0 CEAERO C[NH2+][C@@H]1C[C@@H](OCC2CCOCC2)C12CCCC2 ZINC000090863606 180048141 /nfs/dbraw/zinc/04/81/41/180048141.db2.gz WFYDWVPMHWKQSL-ZIAGYGMSSA-N 1 0 253.386 2.350 10 0 CEAERO CC[NH2+]Cc1cccc(S[C@@H](C)C(=O)OC)c1 ZINC000090871172 180048937 /nfs/dbraw/zinc/04/89/37/180048937.db2.gz PSYXAFHCPMEPMD-JTQLQIEISA-N 1 0 253.367 2.450 10 0 CEAERO CCN(CC)C(=O)CSc1cccc(C[NH3+])c1 ZINC000090870610 180049032 /nfs/dbraw/zinc/04/90/32/180049032.db2.gz LLLLANOILVEVFC-UHFFFAOYSA-N 1 0 252.383 2.106 10 0 CEAERO C[C@@]1(C2CC2)C[NH2+]CCN1C[C@@H]1Cc2ccccc2O1 ZINC000090878263 180052443 /nfs/dbraw/zinc/05/24/43/180052443.db2.gz HIZHDFWRVZGESP-RDJZCZTQSA-N 1 0 272.392 2.064 10 0 CEAERO CN(C)C(C)(C)C[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892541 180053800 /nfs/dbraw/zinc/05/38/00/180053800.db2.gz XIDAQSIKWGBIGW-ZDUSSCGKSA-N 1 0 266.360 2.059 10 0 CEAERO Cc1nnc(-c2csc(C[NH3+])n2)n1C1CCCC1 ZINC000090934584 180067159 /nfs/dbraw/zinc/06/71/59/180067159.db2.gz IEFMYOPJRNIYCI-UHFFFAOYSA-N 1 0 263.370 2.284 10 0 CEAERO NC(=[NH2+])c1cccc(OC[C@H]2Cc3cc(F)ccc3O2)c1 ZINC000090893390 180055205 /nfs/dbraw/zinc/05/52/05/180055205.db2.gz IACWDPGYYBNSGZ-CQSZACIVSA-N 1 0 286.306 2.492 10 0 CEAERO CC[NH2+]Cc1cnc(C)n1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090895631 180055821 /nfs/dbraw/zinc/05/58/21/180055821.db2.gz LUUGGRVSBDCPJW-HNNXBMFYSA-N 1 0 289.354 2.444 10 0 CEAERO CC(C)(C)[C@@H]1CN(C[C@@H]2Cc3cc(F)ccc3O2)CC[NH2+]1 ZINC000090896103 180056239 /nfs/dbraw/zinc/05/62/39/180056239.db2.gz HYXBZWCSMZAHCN-HOCLYGCPSA-N 1 0 292.398 2.449 10 0 CEAERO CC(C)[C@@H]1CN(C[C@@H]2Cc3cc(F)ccc3O2)[C@@H](C)C[NH2+]1 ZINC000090896122 180056405 /nfs/dbraw/zinc/05/64/05/180056405.db2.gz GDYDZZXJLACKJN-RCBQFDQVSA-N 1 0 292.398 2.448 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[NH2+][C@H](C)CN1CCCC1)O2 ZINC000090897624 180056678 /nfs/dbraw/zinc/05/66/78/180056678.db2.gz STMFCZJGWWKMKK-GDBMZVCRSA-N 1 0 274.408 2.372 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](C[NH2+]Cc1cnc(C)cn1)O2 ZINC000090897969 180057039 /nfs/dbraw/zinc/05/70/39/180057039.db2.gz NTOZBRKPWOSMOD-HNNXBMFYSA-N 1 0 269.348 2.187 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[NH2+]CC[C@@H]1CCCO1)O2 ZINC000090897530 180057056 /nfs/dbraw/zinc/05/70/56/180057056.db2.gz LSKOMVLHNHTAPT-LSDHHAIUSA-N 1 0 261.365 2.457 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](C[NH2+][C@@H]1CCN(C3CC3)C1)O2 ZINC000090897805 180057092 /nfs/dbraw/zinc/05/70/92/180057092.db2.gz JWYFCVBJGAZKNI-ZBFHGGJFSA-N 1 0 272.392 2.125 10 0 CEAERO [NH3+]C[C@]1(C[C@@H]2Cc3cc(F)ccc3O2)CCC[C@@H]1O ZINC000090896390 180057478 /nfs/dbraw/zinc/05/74/78/180057478.db2.gz MZCFSDMJWSVDAW-AEGPPILISA-N 1 0 265.328 2.009 10 0 CEAERO CC[NH2+]C1CCN(C[C@H]2Cc3cc(C)ccc3O2)CC1 ZINC000090896657 180057484 /nfs/dbraw/zinc/05/74/84/180057484.db2.gz WFACGLGCZRYREB-MRXNPFEDSA-N 1 0 274.408 2.372 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[NH2+]C[C@@H]1CCC[C@@H]1O)O2 ZINC000090898274 180057810 /nfs/dbraw/zinc/05/78/10/180057810.db2.gz KVJYBJKHIPWVKI-CFVMTHIKSA-N 1 0 261.365 2.049 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](CN(C)CC[NH2+]C(C)C)O2 ZINC000090898946 180057952 /nfs/dbraw/zinc/05/79/52/180057952.db2.gz SFFSQHVOZGOCFI-HNNXBMFYSA-N 1 0 262.397 2.228 10 0 CEAERO CCCC[N@H+](CCO)C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090900941 180058654 /nfs/dbraw/zinc/05/86/54/180058654.db2.gz XOWMZZQHFLOJFJ-HNNXBMFYSA-N 1 0 263.381 2.393 10 0 CEAERO O[C@H]1CCC[N@H+](C[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000090900884 180058728 /nfs/dbraw/zinc/05/87/28/180058728.db2.gz ZCSKAILZBKPEPO-STQMWFEESA-N 1 0 267.756 2.100 10 0 CEAERO CC1(C)C[NH2+]CCN1C[C@H]1Cc2cc(Cl)ccc2O1 ZINC000090900286 180059080 /nfs/dbraw/zinc/05/90/80/180059080.db2.gz VAANPAVZSCYEAO-CYBMUJFWSA-N 1 0 280.799 2.327 10 0 CEAERO COC(=O)[C@H](C)C[N@H+](C)C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090900864 180059343 /nfs/dbraw/zinc/05/93/43/180059343.db2.gz MSSZJPNJSHPBGP-MFKMUULPSA-N 1 0 297.782 2.384 10 0 CEAERO Clc1ccc2c(c1)C[C@H](C[NH2+]C[C@H]1CCOC1)O2 ZINC000090903841 180059776 /nfs/dbraw/zinc/05/97/76/180059776.db2.gz DYCLPYAFIWZSTN-ZWNOBZJWSA-N 1 0 267.756 2.270 10 0 CEAERO CC[C@@H]1CN(C[C@@H]2Cc3cc(C)ccc3O2)CCC[NH2+]1 ZINC000090902511 180060194 /nfs/dbraw/zinc/06/01/94/180060194.db2.gz BQVKFNCBGMRFFG-CVEARBPZSA-N 1 0 274.408 2.372 10 0 CEAERO [NH3+]C[C@H](c1ccc(OC(F)F)cc1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905903 180060883 /nfs/dbraw/zinc/06/08/83/180060883.db2.gz ZDUYVXAMCJUMSP-HZSPNIEDSA-N 1 0 298.333 2.151 10 0 CEAERO C[C@H]([NH3+])c1ccc(NC(=O)N2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090909158 180062761 /nfs/dbraw/zinc/06/27/61/180062761.db2.gz XZYPTURICRKWNX-LEWSCRJBSA-N 1 0 275.352 2.101 10 0 CEAERO C[NH2+][C@@H](C)c1cccc(NC(=O)N2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000090909154 180062804 /nfs/dbraw/zinc/06/28/04/180062804.db2.gz PQLFTAQHVYBJTM-TUKIKUTGSA-N 1 0 289.379 2.362 10 0 CEAERO C[C@H]([NH3+])c1cccc(NC(=O)N2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000090909160 180062916 /nfs/dbraw/zinc/06/29/16/180062916.db2.gz RIXMBNKORVVGQS-LEWSCRJBSA-N 1 0 275.352 2.101 10 0 CEAERO CCc1ccc(N(C)C(=O)c2csc(CC[NH3+])n2)cc1 ZINC000090953438 180073853 /nfs/dbraw/zinc/07/38/53/180073853.db2.gz CRQIEHADKWQQKP-UHFFFAOYSA-N 1 0 289.404 2.483 10 0 CEAERO [NH3+]CCc1nc(C(=O)N2CCC3(CCCC3)CC2)cs1 ZINC000090954321 180073871 /nfs/dbraw/zinc/07/38/71/180073871.db2.gz YEGWSLFJSRYMEO-UHFFFAOYSA-N 1 0 293.436 2.441 10 0 CEAERO C[C@@H]([NH3+])c1nc(CN2C[C@@H](C)OC(C)(C)C2)cs1 ZINC000090958439 180074725 /nfs/dbraw/zinc/07/47/25/180074725.db2.gz VZFDPIANBJVFNC-NXEZZACHSA-N 1 0 269.414 2.162 10 0 CEAERO C[C@H]1CCCCC[C@@H]1NC(=O)c1csc(CC[NH3+])n1 ZINC000090957663 180075147 /nfs/dbraw/zinc/07/51/47/180075147.db2.gz IZQGLEIWNFJTSU-QWRGUYRKSA-N 1 0 281.425 2.343 10 0 CEAERO C[C@H](C[NH2+]Cc1sccc1N)N1CCCCC1 ZINC000090960341 180075384 /nfs/dbraw/zinc/07/53/84/180075384.db2.gz UYQQLGYBMLQUGH-LLVKDONJSA-N 1 0 253.415 2.294 10 0 CEAERO Cc1c([C@H](C)[NH2+]Cc2sccc2N)cnn1C ZINC000090960138 180075439 /nfs/dbraw/zinc/07/54/39/180075439.db2.gz NBCBUHCZMYMZFM-QMMMGPOBSA-N 1 0 250.371 2.223 10 0 CEAERO CC(C)[C@H](CNCc1ccccc1N)[NH+]1CCCC1 ZINC000090961343 180076370 /nfs/dbraw/zinc/07/63/70/180076370.db2.gz SZAYDPHEPCMLIV-INIZCTEOSA-N 1 0 261.413 2.479 10 0 CEAERO CC(=O)Nc1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1O ZINC000090962549 180076999 /nfs/dbraw/zinc/07/69/99/180076999.db2.gz FIIQYXDYXLZMOV-CABCVRRESA-N 1 0 262.353 2.038 10 0 CEAERO CC(=O)Nc1ccccc1C[NH2+]C[C@@H]1CCC[C@@H]1CO ZINC000090975353 180078866 /nfs/dbraw/zinc/07/88/66/180078866.db2.gz HCVDNFWMFNJHKM-DZGCQCFKSA-N 1 0 276.380 2.143 10 0 CEAERO [NH3+]CCOc1ccccc1NC(=O)[C@H]1Cc2ccccc21 ZINC000090982585 180079458 /nfs/dbraw/zinc/07/94/58/180079458.db2.gz VXOFUIVLHJFBAP-AWEZNQCLSA-N 1 0 282.343 2.303 10 0 CEAERO [NH3+]CCC[C@H]1CCCN1C(=O)[C@H]1Cc2ccccc21 ZINC000090987204 180080968 /nfs/dbraw/zinc/08/09/68/180080968.db2.gz YWWVDGDZHACLGY-ZFWWWQNUSA-N 1 0 258.365 2.056 10 0 CEAERO Cc1ncc(C[NH2+]Cc2cn[nH]c2)n1-c1ccccc1 ZINC000090992078 180081544 /nfs/dbraw/zinc/08/15/44/180081544.db2.gz PCZVKQUXJRXWHI-UHFFFAOYSA-N 1 0 267.336 2.194 10 0 CEAERO c1ncn(C[C@H]2Cc3ccccc32)c1C[NH2+]C1CC1 ZINC000090993501 180081843 /nfs/dbraw/zinc/08/18/43/180081843.db2.gz WKZABFYFISAOCR-CYBMUJFWSA-N 1 0 253.349 2.475 10 0 CEAERO O[C@H](C[NH2+]C[C@H]1Cc2ccccc21)COC1CCCC1 ZINC000090992461 180082260 /nfs/dbraw/zinc/08/22/60/180082260.db2.gz ILBIVYFGBOQKJM-HUUCEWRRSA-N 1 0 275.392 2.236 10 0 CEAERO CNC(=O)Cn1cc(C[NH2+]CC(C)C)c2ccccc21 ZINC000090995626 180082692 /nfs/dbraw/zinc/08/26/92/180082692.db2.gz YLFBHTXBWFJZAX-UHFFFAOYSA-N 1 0 273.380 2.133 10 0 CEAERO CCOC(=O)CCCCCn1cccc1C[NH2+]C ZINC000090995707 180082878 /nfs/dbraw/zinc/08/28/78/180082878.db2.gz POKYZDJQONLILF-UHFFFAOYSA-N 1 0 252.358 2.331 10 0 CEAERO COCC[NH2+]Cc1cn(CCCCO)c2ccccc12 ZINC000090995666 180082929 /nfs/dbraw/zinc/08/29/29/180082929.db2.gz KKQPSIPGVRPXCF-UHFFFAOYSA-N 1 0 276.380 2.150 10 0 CEAERO CC[NH2+]Cc1cccn1Cc1ncc(Cl)n1C ZINC000090995945 180083298 /nfs/dbraw/zinc/08/32/98/180083298.db2.gz IKSILTFTSBOUMA-UHFFFAOYSA-N 1 0 252.749 2.033 10 0 CEAERO CC(C)C[NH2+]Cc1cccn1CCCC(=O)N(C)C ZINC000091001992 180083774 /nfs/dbraw/zinc/08/37/74/180083774.db2.gz CGKGJOZUEJRCKJ-UHFFFAOYSA-N 1 0 265.401 2.102 10 0 CEAERO CC(C)C[NH2+]Cc1ccn(CC(=O)OC(C)C)c1 ZINC000091004391 180084158 /nfs/dbraw/zinc/08/41/58/180084158.db2.gz HGLSGUHQGIFVHO-UHFFFAOYSA-N 1 0 252.358 2.185 10 0 CEAERO CCC[NH2+]Cc1ccn(CC(=O)N[C@H](C)C(C)C)c1 ZINC000091003414 180084165 /nfs/dbraw/zinc/08/41/65/180084165.db2.gz DEBXPDGVQXOVRU-CYBMUJFWSA-N 1 0 265.401 2.148 10 0 CEAERO CCc1nc(Cn2nc(C)c(C[NH2+]CC(C)C)c2C)no1 ZINC000091002239 180084259 /nfs/dbraw/zinc/08/42/59/180084259.db2.gz IJDSQIATXFIPSR-UHFFFAOYSA-N 1 0 291.399 2.239 10 0 CEAERO C[C@@H]([NH3+])Cc1cn(Cc2cnn(C)c2)c2ccccc12 ZINC000091005012 180084800 /nfs/dbraw/zinc/08/48/00/180084800.db2.gz YVKGQKMLVBMVBD-GFCCVEGCSA-N 1 0 268.364 2.313 10 0 CEAERO CC[C@H]([NH3+])Cc1ccn(CCOC(F)(F)F)c1 ZINC000091006309 180084815 /nfs/dbraw/zinc/08/48/15/180084815.db2.gz CSQPWPXNDYJRJL-JTQLQIEISA-N 1 0 250.264 2.304 10 0 CEAERO CCCn1ccc(C[NH2+][C@H](C)C(=O)N2CCCCC2)c1 ZINC000091012520 180085831 /nfs/dbraw/zinc/08/58/31/180085831.db2.gz VZLVJCUUSRFNMB-CQSZACIVSA-N 1 0 277.412 2.389 10 0 CEAERO CCN(CC)C[C@@H](C)[NH2+]Cc1c[nH]c2ncccc12 ZINC000091017806 180087147 /nfs/dbraw/zinc/08/71/47/180087147.db2.gz GJYNBFURHWHOOX-GFCCVEGCSA-N 1 0 260.385 2.383 10 0 CEAERO CC(C)[C@@H](C[NH2+]Cc1c[nH]c2ncccc12)N(C)C ZINC000091016267 180087240 /nfs/dbraw/zinc/08/72/40/180087240.db2.gz KQZSGSYJLJCZAA-CQSZACIVSA-N 1 0 260.385 2.239 10 0 CEAERO c1[nH]c2ncccc2c1C[NH2+]CCCOC[C@H]1CCCO1 ZINC000091016272 180087258 /nfs/dbraw/zinc/08/72/58/180087258.db2.gz AJXFLDTYGKVRPW-CQSZACIVSA-N 1 0 289.379 2.238 10 0 CEAERO CNC(=O)CCCn1cc(C[NH2+]C(C)C)c2cccnc21 ZINC000091020505 180087865 /nfs/dbraw/zinc/08/78/65/180087865.db2.gz YJZQXWINPKGFAH-UHFFFAOYSA-N 1 0 288.395 2.061 10 0 CEAERO COC(=O)CCn1cc(C[NH2+]CC(C)C)c2cccnc21 ZINC000091021167 180088964 /nfs/dbraw/zinc/08/89/64/180088964.db2.gz OYRVVRSSRAAVKH-UHFFFAOYSA-N 1 0 289.379 2.345 10 0 CEAERO CC(C)OCCn1cc(C[C@H](C)[NH3+])c2cccnc21 ZINC000091021837 180088970 /nfs/dbraw/zinc/08/89/70/180088970.db2.gz CWHRQRVMGYDHNK-LBPRGKRZSA-N 1 0 261.369 2.351 10 0 CEAERO CC[C@@H]([NH3+])Cc1cn(Cc2ncccn2)c2ncccc12 ZINC000091021956 180088971 /nfs/dbraw/zinc/08/89/71/180088971.db2.gz AESSMHFSWUGFEG-CYBMUJFWSA-N 1 0 281.363 2.154 10 0 CEAERO [NH3+]CCc1nc(-c2nc([C@H]3Cc4ccccc43)no2)cs1 ZINC000090939147 180068232 /nfs/dbraw/zinc/06/82/32/180068232.db2.gz GQTSKIKAWUBGMD-NSHDSACASA-N 1 0 298.371 2.382 10 0 CEAERO [NH3+]CCc1nc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)cs1 ZINC000090947542 180070198 /nfs/dbraw/zinc/07/01/98/180070198.db2.gz SDWGRGOFAYQXIP-RYUDHWBXSA-N 1 0 293.436 2.297 10 0 CEAERO CCn1cccc1C[NH2+]CCOCC(F)(F)F ZINC000091127797 180099538 /nfs/dbraw/zinc/09/95/38/180099538.db2.gz XIRJSESZVMJRBN-UHFFFAOYSA-N 1 0 250.264 2.177 10 0 CEAERO Clc1cccc2[nH]c(C[C@@H]3CSCC[NH2+]3)nc21 ZINC000091128608 180099995 /nfs/dbraw/zinc/09/99/95/180099995.db2.gz ZKVVRMCRHBLCRS-MRVPVSSYSA-N 1 0 267.785 2.464 10 0 CEAERO Fc1ccc2nc(C[C@@H]3CSCC[NH2+]3)oc2c1 ZINC000091129351 180101279 /nfs/dbraw/zinc/10/12/79/180101279.db2.gz CLVSXHHAEKELAS-SECBINFHSA-N 1 0 252.314 2.214 10 0 CEAERO c1nnc(C[C@@H]2CSCC[NH2+]2)n1C1CCCCC1 ZINC000091129587 180101419 /nfs/dbraw/zinc/10/14/19/180101419.db2.gz ZHDVKSNZYJCVFY-LLVKDONJSA-N 1 0 266.414 2.031 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@]2(C1)SCC[C@@H]2C[NH3+] ZINC000091303531 180130328 /nfs/dbraw/zinc/13/03/28/180130328.db2.gz HDYLKQBEKCDYQJ-ZWNOBZJWSA-N 1 0 272.414 2.078 10 0 CEAERO C[N@H+]([C@@H](CN)CC(=O)NC(C)(C)C)C1CCCCCC1 ZINC000091321030 180133617 /nfs/dbraw/zinc/13/36/17/180133617.db2.gz HZOOBKKIKCWHLK-CQSZACIVSA-N 1 0 283.460 2.273 10 0 CEAERO C[C@H](O)[C@@](C[NH3+])(CCOCC(F)(F)F)c1ccccc1 ZINC000091327874 180135682 /nfs/dbraw/zinc/13/56/82/180135682.db2.gz GZQSSLVTFVIPBN-AAEUAGOBSA-N 1 0 291.313 2.233 10 0 CEAERO Cc1ccc2n1CCN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@H]2C ZINC000091351390 180137866 /nfs/dbraw/zinc/13/78/66/180137866.db2.gz NFOHYGLFRNRBRW-BFHYXJOUSA-N 1 0 275.396 2.075 10 0 CEAERO c1cnc2nnc([C@@H]3CC[C@H]4CCCC[C@@H]4[NH2+]3)n2c1 ZINC000091355285 180139116 /nfs/dbraw/zinc/13/91/16/180139116.db2.gz PBRZDDPEIIEKEP-WOPDTQHZSA-N 1 0 257.341 2.108 10 0 CEAERO O=C(Nc1ccncc1)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091359085 180140293 /nfs/dbraw/zinc/14/02/93/180140293.db2.gz IVMKOIILWRFZME-UBHSHLNASA-N 1 0 259.353 2.331 10 0 CEAERO O=C(NCc1ccncc1)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000091359224 180140576 /nfs/dbraw/zinc/14/05/76/180140576.db2.gz DEQDEVVMMGCYMJ-ILXRZTDVSA-N 1 0 273.380 2.009 10 0 CEAERO CN(C[C@@H]1CCCO1)C[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091362479 180141887 /nfs/dbraw/zinc/14/18/87/180141887.db2.gz AFGJPNKHLZIQAY-VGWMRTNUSA-N 1 0 266.429 2.408 10 0 CEAERO COCC[NH2+]Cc1cc(F)ccc1SC[C@H](C)CO ZINC000091259865 180115838 /nfs/dbraw/zinc/11/58/38/180115838.db2.gz YLMPHRMLWXKWQQ-LLVKDONJSA-N 1 0 287.400 2.282 10 0 CEAERO C[C@@H](CCO)Sc1nc2ccccc2cc1C(N)=[NH2+] ZINC000091263922 180116597 /nfs/dbraw/zinc/11/65/97/180116597.db2.gz DKDXLYYYWBFQJC-VIFPVBQESA-N 1 0 275.377 2.382 10 0 CEAERO CCC[NH2+][C@H](CC(=O)OC)c1cncn1C(C)C ZINC000091274096 180118606 /nfs/dbraw/zinc/11/86/06/180118606.db2.gz CIJVBKPLLDTKOH-LLVKDONJSA-N 1 0 253.346 2.068 10 0 CEAERO CCCN1C(=O)CCC[C@H]([NH3+])[C@H]1c1cncn1C1CC1 ZINC000091275593 180118800 /nfs/dbraw/zinc/11/88/00/180118800.db2.gz VVXAMCDNRIFIBJ-WFASDCNBSA-N 1 0 276.384 2.009 10 0 CEAERO CCN1CCC[C@H](C[NH2+]C)[C@@H]1c1cncn1C1CC1 ZINC000091275379 180118970 /nfs/dbraw/zinc/11/89/70/180118970.db2.gz JSQACQOTVGIHKH-IUODEOHRSA-N 1 0 262.401 2.210 10 0 CEAERO CC[C@@H]1CCCN([C@@H](C[NH3+])c2cncn2C2CC2)C1 ZINC000091276273 180119615 /nfs/dbraw/zinc/11/96/15/180119615.db2.gz CFBJBMUMHILKGL-OCCSQVGLSA-N 1 0 262.401 2.340 10 0 CEAERO c1ccc2c(c1)CCN(CC[C@@H]1CSCC[NH2+]1)C2 ZINC000091291987 180123372 /nfs/dbraw/zinc/12/33/72/180123372.db2.gz JYMRIZRGLOQXEV-OAHLLOKOSA-N 1 0 262.422 2.140 10 0 CEAERO COc1cccc(CN(C)CC[C@@H]2CSCC[NH2+]2)c1 ZINC000091292075 180123898 /nfs/dbraw/zinc/12/38/98/180123898.db2.gz FRMDVKLROCXSAL-CQSZACIVSA-N 1 0 280.437 2.222 10 0 CEAERO CC(C)(C)n1c(C[C@H]2C[NH2+]CCO2)nc2ccccc21 ZINC000091293178 180124028 /nfs/dbraw/zinc/12/40/28/180124028.db2.gz QPOKNCZPCLATQI-LBPRGKRZSA-N 1 0 273.380 2.322 10 0 CEAERO Fc1ccc2c(c1)nc(C[C@@H]1C[NH2+]CCO1)n2C1CC1 ZINC000091293219 180124253 /nfs/dbraw/zinc/12/42/53/180124253.db2.gz TZWKOHTZBNHTIU-GFCCVEGCSA-N 1 0 275.327 2.041 10 0 CEAERO O=C(C[C@H]1C[NH2+]CCO1)Nc1cc(Cl)ccc1Cl ZINC000091298877 180125314 /nfs/dbraw/zinc/12/53/14/180125314.db2.gz BRNZKBHDRQHADH-VIFPVBQESA-N 1 0 289.162 2.310 10 0 CEAERO C[NH+](C)[C@H]1CCCN(CCNc2cccc(F)c2)C1 ZINC000091430334 180152828 /nfs/dbraw/zinc/15/28/28/180152828.db2.gz QBNDBCVCUXIVPC-HNNXBMFYSA-N 1 0 265.376 2.264 10 0 CEAERO C[C@H]([NH2+]C1CC(O)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000091431093 180153386 /nfs/dbraw/zinc/15/33/86/180153386.db2.gz ISQZOQWTVUSVDI-MRFVTOPCSA-N 1 0 298.427 2.135 10 0 CEAERO C[C@@H](O)c1cccc(NC(=O)N2CCC[C@H]([NH+](C)C)C2)c1 ZINC000091433278 180154364 /nfs/dbraw/zinc/15/43/64/180154364.db2.gz DXJPZWHDCSOVPY-DOMZBBRYSA-N 1 0 291.395 2.298 10 0 CEAERO CCc1nc(N2CCC[C@H]([NH+](C)C)C2)sc1C=O ZINC000091449303 180157505 /nfs/dbraw/zinc/15/75/05/180157505.db2.gz DCISWPNHCDDBKQ-JTQLQIEISA-N 1 0 267.398 2.048 10 0 CEAERO Cc1ccccc1[C@@H]([C@@H](C)N)[N@H+](C)CC1CC(O)C1 ZINC000091451471 180158697 /nfs/dbraw/zinc/15/86/97/180158697.db2.gz UBMNEJBWVUTZQB-UWLZSVRSSA-N 1 0 262.397 2.086 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1cccc(Cl)c1)N(C)CC1CC(O)C1 ZINC000091459715 180161153 /nfs/dbraw/zinc/16/11/53/180161153.db2.gz CCTTUMPSUGGASJ-ZGBLGHFFSA-N 1 0 282.815 2.431 10 0 CEAERO C[NH2+][C@@H](C)c1c(F)cccc1N(C)CC1CC(O)C1 ZINC000091463974 180162664 /nfs/dbraw/zinc/16/26/64/180162664.db2.gz KXUKZEVAAJXIQL-UNXYVOJBSA-N 1 0 266.360 2.313 10 0 CEAERO CC[NH2+]CCc1nnc(-c2ccncc2Cl)s1 ZINC000091465418 180163635 /nfs/dbraw/zinc/16/36/35/180163635.db2.gz QKVABLZVTNOUFM-UHFFFAOYSA-N 1 0 268.773 2.406 10 0 CEAERO CC(C)C[NH2+]C[C@@H](O)CCc1ccc2c(c1)CCO2 ZINC000091466290 180163844 /nfs/dbraw/zinc/16/38/44/180163844.db2.gz KXMVLLNVLAGXHS-HNNXBMFYSA-N 1 0 263.381 2.161 10 0 CEAERO CC(C)(C)[NH2+]C[C@H](O)Cc1ccn(C2CCCC2)n1 ZINC000091467355 180164291 /nfs/dbraw/zinc/16/42/91/180164291.db2.gz YHONDLQIMGTLIO-CQSZACIVSA-N 1 0 265.401 2.290 10 0 CEAERO CC[C@H]1CCC(=O)[C@@H](C[N@H+](C)CC2CC(O)C2)C1 ZINC000091489748 180168952 /nfs/dbraw/zinc/16/89/52/180168952.db2.gz KBBAPSREGLUTOP-RJZJGCCBSA-N 1 0 253.386 2.085 10 0 CEAERO Cc1ncccc1NC(=O)Nc1cccc(C[NH3+])c1 ZINC000091497524 180173267 /nfs/dbraw/zinc/17/32/67/180173267.db2.gz CYFXNMLKOLLLNN-UHFFFAOYSA-N 1 0 256.309 2.493 10 0 CEAERO C[N@@H+](Cc1ccn(C2CCCC2)n1)CC1CC(O)C1 ZINC000091498732 180173598 /nfs/dbraw/zinc/17/35/98/180173598.db2.gz VDJOJKPLBOTPJV-UHFFFAOYSA-N 1 0 263.385 2.201 10 0 CEAERO Cc1ccc(C(=O)CN2CCC[C@H]([NH+](C)C)C2)s1 ZINC000091394273 180146479 /nfs/dbraw/zinc/14/64/79/180146479.db2.gz GTEFPQOBLDPWSV-LBPRGKRZSA-N 1 0 266.410 2.265 10 0 CEAERO CCc1nn(C)c(N2CCC([NH+]3CCCCC3)CC2)c1N ZINC000091559878 180191237 /nfs/dbraw/zinc/19/12/37/180191237.db2.gz ILIRDKHUODIAHT-UHFFFAOYSA-N 1 0 291.443 2.019 10 0 CEAERO CC[NH2+][C@@H](Cc1cnccc1N)C(C)(C)N1CCCCC1 ZINC000091565232 180193408 /nfs/dbraw/zinc/19/34/08/180193408.db2.gz OHXCRNRDFANMAW-INIZCTEOSA-N 1 0 290.455 2.449 10 0 CEAERO CCn1nc(C)cc1C[C@H]([NH3+])C(C)(C)N1CCCCC1 ZINC000091564523 180193625 /nfs/dbraw/zinc/19/36/25/180193625.db2.gz HAFVRYBFZBWGGR-HNNXBMFYSA-N 1 0 278.444 2.346 10 0 CEAERO CCOc1ccc([C@@H]([NH3+])C(C)(C)N2CCOCC2)cc1 ZINC000091566156 180193990 /nfs/dbraw/zinc/19/39/90/180193990.db2.gz CSXTVLYOTUNGMR-OAHLLOKOSA-N 1 0 278.396 2.196 10 0 CEAERO CCc1ccc(C[C@@H]([NH2+]C)C(C)(C)N2CCOCC2)cc1 ZINC000091566466 180194029 /nfs/dbraw/zinc/19/40/29/180194029.db2.gz KCIXNNOMNSFDSB-QGZVFWFLSA-N 1 0 290.451 2.490 10 0 CEAERO C[NH2+][C@H](c1cccc(OC)c1)C(C)(C)N1CCOCC1 ZINC000091566492 180194162 /nfs/dbraw/zinc/19/41/62/180194162.db2.gz JONUPIWFYBECNI-OAHLLOKOSA-N 1 0 278.396 2.067 10 0 CEAERO CC(C)([C@@H]([NH3+])CCCc1ccccc1)N1CCOCC1 ZINC000091566406 180194197 /nfs/dbraw/zinc/19/41/97/180194197.db2.gz KAOVZJULFAONMC-INIZCTEOSA-N 1 0 276.424 2.447 10 0 CEAERO C[NH2+][C@H](c1cc(C)ccc1OC)C(C)(C)N1CCOCC1 ZINC000091566741 180194981 /nfs/dbraw/zinc/19/49/81/180194981.db2.gz YHJXSDVUJFHOPQ-MRXNPFEDSA-N 1 0 292.423 2.375 10 0 CEAERO CCn1cc(C[C@@H](O)C(C)(C)[NH+]2CCCCCC2)cn1 ZINC000091567527 180195109 /nfs/dbraw/zinc/19/51/09/180195109.db2.gz QMAQQJUPTICAPW-OAHLLOKOSA-N 1 0 279.428 2.461 10 0 CEAERO Cn1nccc1[C@@H](O)C(C)(C)[NH+]1CCCCCC1 ZINC000091567738 180195140 /nfs/dbraw/zinc/19/51/40/180195140.db2.gz XJYFESHGXQPJMV-CYBMUJFWSA-N 1 0 251.374 2.108 10 0 CEAERO CC[C@@](C)([C@H](O)c1ccc2c(c1)OCCO2)[NH+](C)C ZINC000091569300 180195470 /nfs/dbraw/zinc/19/54/70/180195470.db2.gz VDJALYDEQMICQV-CABCVRRESA-N 1 0 265.353 2.222 10 0 CEAERO CC[C@@](C)([C@H](O)Cc1cccc(OC)c1)[NH+](C)C ZINC000091569548 180195762 /nfs/dbraw/zinc/19/57/62/180195762.db2.gz BMDUQOCWAIGYNH-CABCVRRESA-N 1 0 251.370 2.329 10 0 CEAERO CC[C@@](C)([C@@H](O)Cc1ncc(C)c(OC)c1C)[NH+](C)C ZINC000091569114 180195807 /nfs/dbraw/zinc/19/58/07/180195807.db2.gz CSQFYXHSUKGHCM-HOCLYGCPSA-N 1 0 280.412 2.341 10 0 CEAERO CCn1cc(C[C@H](N)[C@](C)(CC)[NH+](CC)CC)cn1 ZINC000091573694 180196114 /nfs/dbraw/zinc/19/61/14/180196114.db2.gz JPXQKTCEKVCDDM-GJZGRUSLSA-N 1 0 266.433 2.283 10 0 CEAERO CCn1cc([C@@H](O)[C@](C)(CC)[NH+](CC)CC)cn1 ZINC000091572856 180196583 /nfs/dbraw/zinc/19/65/83/180196583.db2.gz NGVPNPMPXNEXFX-KGLIPLIRSA-N 1 0 253.390 2.447 10 0 CEAERO CCc1nn(C)c(NCC[NH+](C(C)C)C(C)C)c1N ZINC000091575829 180197268 /nfs/dbraw/zinc/19/72/68/180197268.db2.gz ZXRBKOYFYJPKES-UHFFFAOYSA-N 1 0 267.421 2.095 10 0 CEAERO CCCN1C(=O)C[C@H]([NH2+][C@H](CC)c2cccs2)C1=O ZINC000105088492 186042454 /nfs/dbraw/zinc/04/24/54/186042454.db2.gz NQHINBPESFWIFC-MNOVXSKESA-N 1 0 280.393 2.326 10 0 CEAERO CCCC1CCC([NH2+][C@H]2CC(=O)N(CCC)C2=O)CC1 ZINC000105101782 186042670 /nfs/dbraw/zinc/04/26/70/186042670.db2.gz AQQZZLHUPUDJKU-RUXDESIVSA-N 1 0 280.412 2.472 10 0 CEAERO CCc1cc(CC(=O)[C@@](C)(CC)[NH+]2CCCC2)n(C)n1 ZINC000091602060 180203230 /nfs/dbraw/zinc/20/32/30/180203230.db2.gz AYOQNZKUBHKQMY-MRXNPFEDSA-N 1 0 277.412 2.359 10 0 CEAERO CCc1cc(C[C@H](N)[C@@](C)(CC)[NH+]2CCCC2)n(C)n1 ZINC000091605398 180204309 /nfs/dbraw/zinc/20/43/09/180204309.db2.gz FJFDOCCNWRTKMI-JKSUJKDBSA-N 1 0 278.444 2.117 10 0 CEAERO CC[NH2+][C@@H](Cc1cccnc1N)[C@](C)(CC)N1CCCC1 ZINC000091607271 180204424 /nfs/dbraw/zinc/20/44/24/180204424.db2.gz QVGUEFWTRQKCMO-RDJZCZTQSA-N 1 0 290.455 2.449 10 0 CEAERO CC[C@](C)([C@H](O)c1nccn1C)[NH+]1CCCCC1 ZINC000091608786 180205077 /nfs/dbraw/zinc/20/50/77/180205077.db2.gz ACZUBWCHLVIFII-TZMCWYRMSA-N 1 0 251.374 2.108 10 0 CEAERO CC[C@](C)([C@@H](O)Cc1ncnn1C(C)C)[NH+]1CCCCC1 ZINC000091608436 180205125 /nfs/dbraw/zinc/20/51/25/180205125.db2.gz KPVONCBMDICXNC-GOEBONIOSA-N 1 0 294.443 2.417 10 0 CEAERO CC(C)Oc1ncccc1C[NH2+]C[C@H](O)c1ccco1 ZINC000104927453 186032766 /nfs/dbraw/zinc/03/27/66/186032766.db2.gz NQIPPNNMEWHXAV-ZDUSSCGKSA-N 1 0 276.336 2.285 10 0 CEAERO CC[C@@](C)([C@H]([NH3+])c1ccccc1F)N1CCOCC1 ZINC000091611877 180206477 /nfs/dbraw/zinc/20/64/77/180206477.db2.gz FNVFXFAWOXPUHZ-CABCVRRESA-N 1 0 266.360 2.326 10 0 CEAERO CC[C@](C)([C@@H]([NH3+])Cc1cccc(C)c1)N1CCOCC1 ZINC000091611892 180206827 /nfs/dbraw/zinc/20/68/27/180206827.db2.gz VOHLAUAWMWVVRB-DLBZAZTESA-N 1 0 276.424 2.366 10 0 CEAERO CC[NH2+][C@@H](c1cnn(CC)c1)[C@@](C)(CC)N1CCOCC1 ZINC000091613000 180207320 /nfs/dbraw/zinc/20/73/20/180207320.db2.gz MEOWRJXSAPBRFI-JKSUJKDBSA-N 1 0 294.443 2.055 10 0 CEAERO CC[NH+](CC)C(CC)(CC)[C@@H](O)c1cnn(C)c1 ZINC000091615694 180208024 /nfs/dbraw/zinc/20/80/24/180208024.db2.gz MSEUJHKFNRGAHT-ZDUSSCGKSA-N 1 0 253.390 2.354 10 0 CEAERO CCC[NH2+][C@@H](C1CC1)[C@](C)(CC)N1CCOCC1 ZINC000091613195 180208064 /nfs/dbraw/zinc/20/80/64/180208064.db2.gz VHMUGSOBLMFYIF-GJZGRUSLSA-N 1 0 254.418 2.266 10 0 CEAERO CCCn1ncnc1C[C@H]([NH2+]CC)C(CC)(CC)N(C)C ZINC000091614896 180208078 /nfs/dbraw/zinc/20/80/78/180208078.db2.gz BJDVFSDHYIQBTB-AWEZNQCLSA-N 1 0 295.475 2.329 10 0 CEAERO Cc1cc(F)cc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000091514065 180176783 /nfs/dbraw/zinc/17/67/83/180176783.db2.gz FEVDGGXKICCEQH-MFKMUULPSA-N 1 0 250.317 2.448 10 0 CEAERO Cc1cc(F)cc(N[C@@]2(CO)CC[N@@H+](C(C)C)C2)c1 ZINC000091518414 180177508 /nfs/dbraw/zinc/17/75/08/180177508.db2.gz PARZJTNSJZUHFY-HNNXBMFYSA-N 1 0 266.360 2.391 10 0 CEAERO COCC[NH2+]CC[C@](C)(O)CCCc1ccccc1 ZINC000091521487 180177960 /nfs/dbraw/zinc/17/79/60/180177960.db2.gz MOCFQGDIMIGFIO-MRXNPFEDSA-N 1 0 265.397 2.386 10 0 CEAERO CCCn1c2ccc(Cl)cc2nc1C[C@@](C)(O)C[NH3+] ZINC000091523230 180178044 /nfs/dbraw/zinc/17/80/44/180178044.db2.gz JLCKNLCSAKVAET-CQSZACIVSA-N 1 0 281.787 2.352 10 0 CEAERO CC(C)Cn1ncnc1C[C@@](C)(O)CC[NH2+]C(C)(C)C ZINC000091520591 180178255 /nfs/dbraw/zinc/17/82/55/180178255.db2.gz ZAGOFORLBGXCSN-HNNXBMFYSA-N 1 0 282.432 2.006 10 0 CEAERO CCc1ccc(C[C@@](C)(O)CC[NH2+]CCOC)s1 ZINC000091523120 180178282 /nfs/dbraw/zinc/17/82/82/180178282.db2.gz BELDIHUUAZWRRW-AWEZNQCLSA-N 1 0 271.426 2.230 10 0 CEAERO CCCn1ccnc1[C@](C)(O)CC[NH2+]C(C)(C)C ZINC000091519799 180178360 /nfs/dbraw/zinc/17/83/60/180178360.db2.gz IGTKUFDMASJXLV-CQSZACIVSA-N 1 0 253.390 2.279 10 0 CEAERO CC(C)CO[C@@H]1C[C@@H]([NH2+]CC2CC(O)C2)C1(C)C ZINC000091525409 180178599 /nfs/dbraw/zinc/17/85/99/180178599.db2.gz NXNVJMQZARGJEQ-NWINJMCUSA-N 1 0 255.402 2.187 10 0 CEAERO CCC(CC)([C@H](O)Cc1csc(C)n1)[NH+](C)C ZINC000091613799 180208331 /nfs/dbraw/zinc/20/83/31/180208331.db2.gz XZSUEUSXUSZSHT-GFCCVEGCSA-N 1 0 256.415 2.475 10 0 CEAERO COc1ccc([C@H](N)C(C)(C)[NH+](C)C)cc1OC ZINC000091528428 180179747 /nfs/dbraw/zinc/17/97/47/180179747.db2.gz VLDXJIIITRLYFL-ZDUSSCGKSA-N 1 0 252.358 2.044 10 0 CEAERO CCc1nn(CC)c(C[C@H](O)C(C)(C)[NH+](C)C)c1Cl ZINC000091528221 180179835 /nfs/dbraw/zinc/17/98/35/180179835.db2.gz GYIVZRIERRYWBO-LBPRGKRZSA-N 1 0 287.835 2.362 10 0 CEAERO CC[NH2+][C@@H](Cc1cccnc1N)C(C)(C)N(CC)CC ZINC000091531441 180180421 /nfs/dbraw/zinc/18/04/21/180180421.db2.gz IGFHQLMIKIMYIB-AWEZNQCLSA-N 1 0 278.444 2.305 10 0 CEAERO C[NH2+][C@@H](Cc1ccc(OC)c(F)c1)C(C)(C)N(C)C ZINC000091528574 180180556 /nfs/dbraw/zinc/18/05/56/180180556.db2.gz MSTKFIOLQRVBDG-AWEZNQCLSA-N 1 0 268.376 2.305 10 0 CEAERO CCC[NH2+][C@@H](Cc1ncnn1CC(C)C)C(C)(C)N(C)C ZINC000091529280 180180631 /nfs/dbraw/zinc/18/06/31/180180631.db2.gz YTUHPWFGUXBXAZ-AWEZNQCLSA-N 1 0 295.475 2.185 10 0 CEAERO CCc1cc(CC(=O)C(C)(C)[NH+](CC)CC)n(C)n1 ZINC000091529776 180180704 /nfs/dbraw/zinc/18/07/04/180180704.db2.gz SNCJPQHFQFTPLR-UHFFFAOYSA-N 1 0 265.401 2.215 10 0 CEAERO C[NH2+][C@H](c1ccc2c(c1)OCCCO2)C(C)(C)N(C)C ZINC000091528852 180180722 /nfs/dbraw/zinc/18/07/22/180180722.db2.gz FNVZADKGEHLXNW-OAHLLOKOSA-N 1 0 278.396 2.449 10 0 CEAERO CCC[NH2+][C@H](Cc1ncnn1C(C)C)C(C)(C)N(C)C ZINC000091529639 180180748 /nfs/dbraw/zinc/18/07/48/180180748.db2.gz DGAKQZXFIZCHBW-CYBMUJFWSA-N 1 0 281.448 2.110 10 0 CEAERO CC[NH+](CC)C(C)(C)[C@H](O)c1cc(Cl)cnc1N ZINC000091529932 180180833 /nfs/dbraw/zinc/18/08/33/180180833.db2.gz RQZOSYTVNNFOGV-LLVKDONJSA-N 1 0 271.792 2.471 10 0 CEAERO CCN(CC)C(C)(C)[C@@H](Cc1ncnn1CC(C)C)[NH2+]C ZINC000091530638 180180948 /nfs/dbraw/zinc/18/09/48/180180948.db2.gz FCXIGPQJXKHGDE-CQSZACIVSA-N 1 0 295.475 2.185 10 0 CEAERO COc1ccccc1C[C@@H](N)C(C)(C)[NH+]1CCCC1 ZINC000091534221 180181409 /nfs/dbraw/zinc/18/14/09/180181409.db2.gz GSUUMALVWWBTOW-OAHLLOKOSA-N 1 0 262.397 2.439 10 0 CEAERO CCc1nn(C)c(C[C@@H](O)C(C)(C)[NH+]2CCCC2)c1Cl ZINC000091533170 180181508 /nfs/dbraw/zinc/18/15/08/180181508.db2.gz PIEOGVZWNSLYNW-CYBMUJFWSA-N 1 0 299.846 2.414 10 0 CEAERO CC1CCC(CCNC(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091541730 180183774 /nfs/dbraw/zinc/18/37/74/180183774.db2.gz OZWHAEYDLLUYIP-PQAZSJQKSA-N 1 0 252.402 2.446 10 0 CEAERO Cc1cc(-c2nnco2)ccc1NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091542125 180184557 /nfs/dbraw/zinc/18/45/57/180184557.db2.gz MBPOHGXSMCLJHE-CMPLNLGQSA-N 1 0 286.335 2.111 10 0 CEAERO CCC(=O)Nc1cccc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)c1C ZINC000091545845 180186474 /nfs/dbraw/zinc/18/64/74/180186474.db2.gz PDTKBGPNKJWTNY-NEPJUHHUSA-N 1 0 289.379 2.409 10 0 CEAERO CCN(C(=O)[C@@H]1CC[C@H]([NH3+])C1)c1cccc(F)c1 ZINC000091546023 180186848 /nfs/dbraw/zinc/18/68/48/180186848.db2.gz OTXCTQWJRSCOJT-PWSUYJOCSA-N 1 0 250.317 2.306 10 0 CEAERO [NH3+][C@H]1CC[C@H](C(=O)Nc2cc(F)cc(F)c2F)C1 ZINC000091546040 180187168 /nfs/dbraw/zinc/18/71/68/180187168.db2.gz VLPNWLOOFXPJGZ-XPUUQOCRSA-N 1 0 258.243 2.170 10 0 CEAERO O=C(NC[C@H]1Cc2ccccc21)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105175310 186045003 /nfs/dbraw/zinc/04/50/03/186045003.db2.gz LEBRJIXZTBZWCQ-HZPDHXFCSA-N 1 0 299.418 2.206 10 0 CEAERO CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091548316 180188452 /nfs/dbraw/zinc/18/84/52/180188452.db2.gz LFOKHCDJLOHQEN-VXGBXAGGSA-N 1 0 282.334 2.441 10 0 CEAERO Nc1ncccc1C[C@H](N)C1([NH+]2CCCCC2)CCCC1 ZINC000091641897 180213114 /nfs/dbraw/zinc/21/31/14/180213114.db2.gz DONLGYJAHFEWQZ-HNNXBMFYSA-N 1 0 288.439 2.332 10 0 CEAERO CN[C@@H](c1ccnn1C)C1([NH+]2CCCCC2)CCCC1 ZINC000091642173 180213179 /nfs/dbraw/zinc/21/31/79/180213179.db2.gz HKAATTGVCDVRFN-HNNXBMFYSA-N 1 0 276.428 2.479 10 0 CEAERO Cn1cc(C[C@@H](N)C2([NH+]3CCCCC3)CCCC2)cn1 ZINC000091641872 180213471 /nfs/dbraw/zinc/21/34/71/180213471.db2.gz KNPQEJBANZNEKK-OAHLLOKOSA-N 1 0 276.428 2.089 10 0 CEAERO O[C@H](Cc1ccccn1)C1([NH+]2CCCC2)CCCC1 ZINC000091640151 180213551 /nfs/dbraw/zinc/21/35/51/180213551.db2.gz CKLQFOYAZJABMW-OAHLLOKOSA-N 1 0 260.381 2.394 10 0 CEAERO Nc1ccncc1[C@H](O)C1([NH+]2CCCCC2)CCCC1 ZINC000091641778 180213567 /nfs/dbraw/zinc/21/35/67/180213567.db2.gz JKZVIUVHUPATEO-HNNXBMFYSA-N 1 0 275.396 2.496 10 0 CEAERO C[NH2+][C@@H](CC[C@H]1CCCO1)C1(N2CCOCC2)CCCC1 ZINC000091643169 180213839 /nfs/dbraw/zinc/21/38/39/180213839.db2.gz MBJKYALSOVQRQD-CVEARBPZSA-N 1 0 296.455 2.179 10 0 CEAERO [NH3+][C@H](Cc1ccc(F)cc1)C1(N2CCOCC2)CCCC1 ZINC000091643026 180213875 /nfs/dbraw/zinc/21/38/75/180213875.db2.gz HPXQJJGKCBSTJZ-MRXNPFEDSA-N 1 0 292.398 2.341 10 0 CEAERO COc1ccc([C@H]([NH3+])C2(N3CCOCC3)CCCC2)cc1 ZINC000091642828 180214027 /nfs/dbraw/zinc/21/40/27/180214027.db2.gz HRQHSOJZQAYZMW-INIZCTEOSA-N 1 0 290.407 2.340 10 0 CEAERO O[C@@H](c1cccs1)C1([NH+]2CCOCC2)CCCC1 ZINC000091642603 180214242 /nfs/dbraw/zinc/21/42/42/180214242.db2.gz LUHISSSGTDYNSM-ZDUSSCGKSA-N 1 0 267.394 2.427 10 0 CEAERO C[NH+](C)C1([C@H](N)c2cncc(F)c2)CCCCC1 ZINC000091647276 180215519 /nfs/dbraw/zinc/21/55/19/180215519.db2.gz MFPMAPUDHVIKKQ-CYBMUJFWSA-N 1 0 251.349 2.485 10 0 CEAERO CC[NH2+][C@@H](c1ccnn1C)C1(N(C)C)CCCCC1 ZINC000091647870 180215847 /nfs/dbraw/zinc/21/58/47/180215847.db2.gz ZRHMLBUEXGQFDE-AWEZNQCLSA-N 1 0 264.417 2.335 10 0 CEAERO CCn1cc([C@@H](N)C2([NH+](C)C)CCC(C)CC2)cn1 ZINC000091648952 180216351 /nfs/dbraw/zinc/21/63/51/180216351.db2.gz FZGZPCVHPVUAFO-HNFVBEJKSA-N 1 0 264.417 2.413 10 0 CEAERO C[C@@H]1CCC[C@](C(=O)Cc2ccnc(N)c2)([NH+](C)C)C1 ZINC000091649793 180216586 /nfs/dbraw/zinc/21/65/86/180216586.db2.gz SGUTYDHLLZCSJA-WBMJQRKESA-N 1 0 275.396 2.286 10 0 CEAERO Fc1cnc(Cl)nc1OCC[NH+]1CCCCC1 ZINC000091655012 180216831 /nfs/dbraw/zinc/21/68/31/180216831.db2.gz ZKPMROPZDANPFO-UHFFFAOYSA-N 1 0 259.712 2.134 10 0 CEAERO C[NH2+][C@H](c1ccnn1C)[C@@]1(N(C)C)CCC[C@@H](C)C1 ZINC000091652799 180217180 /nfs/dbraw/zinc/21/71/80/180217180.db2.gz XUYDLTHRHZWQDT-BPLDGKMQSA-N 1 0 264.417 2.191 10 0 CEAERO Cc1cnc(Cl)nc1N(CC[NH+](C)C)CC(C)C ZINC000091658697 180218265 /nfs/dbraw/zinc/21/82/65/180218265.db2.gz IJOWVCFMRITSDY-UHFFFAOYSA-N 1 0 270.808 2.462 10 0 CEAERO CNC(=O)[C@@H](CC(C)C)[NH2+][C@H]1CCCc2cccnc21 ZINC000091661028 180218465 /nfs/dbraw/zinc/21/84/65/180218465.db2.gz FVVCDBAOPUXERC-UONOGXRCSA-N 1 0 275.396 2.209 10 0 CEAERO Cc1nc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)sc1C ZINC000091672617 180224447 /nfs/dbraw/zinc/22/44/47/180224447.db2.gz ALRZXJDMFQUQJV-VXGBXAGGSA-N 1 0 267.398 2.035 10 0 CEAERO CC[C@@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)c1nc(C)cs1 ZINC000105307798 186051828 /nfs/dbraw/zinc/05/18/28/186051828.db2.gz CGNXPWDMEXMKPM-VXGBXAGGSA-N 1 0 296.440 2.248 10 0 CEAERO [NH3+][C@@H](C1CC1)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000091690959 180227651 /nfs/dbraw/zinc/22/76/51/180227651.db2.gz ILBAKXFMZDVKEE-GJZGRUSLSA-N 1 0 274.364 2.382 10 0 CEAERO CCCN[C@H](CC[NH+](CC)CC)c1cnn(C)c1 ZINC000091716889 180231990 /nfs/dbraw/zinc/23/19/90/180231990.db2.gz STVHDWQAYJOPIC-CQSZACIVSA-N 1 0 252.406 2.193 10 0 CEAERO C[NH2+][C@@H](Cc1ccc(C(C)(C)C)cc1)[C@@H]1CN(C)CCO1 ZINC000091717567 180232216 /nfs/dbraw/zinc/23/22/16/180232216.db2.gz VRXRXKGGUKUPRT-IRXDYDNUSA-N 1 0 290.451 2.445 10 0 CEAERO Cc1cc(C)cc([C@H](O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000091715648 180232762 /nfs/dbraw/zinc/23/27/62/180232762.db2.gz YKGFXCIMAVKAMY-OAGGEKHMSA-N 1 0 261.365 2.200 10 0 CEAERO O[C@H](Cc1ccc(F)cc1Cl)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091715553 180232963 /nfs/dbraw/zinc/23/29/63/180232963.db2.gz POXQJASXHASHEJ-BPLDGKMQSA-N 1 0 299.773 2.246 10 0 CEAERO C[NH2+][C@H](CN(C)C)c1cccc(OC(F)(F)F)c1 ZINC000091719639 180234077 /nfs/dbraw/zinc/23/40/77/180234077.db2.gz CKDHRBARUKAGTD-LLVKDONJSA-N 1 0 262.275 2.407 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1cc2ccccc2o1 ZINC000624235988 350239534 /nfs/dbraw/zinc/23/95/34/350239534.db2.gz ULNPZQUUFSVRNS-UHTWSYAYSA-N 1 0 261.321 2.233 10 0 CEAERO C[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1cccc(Cl)c1 ZINC000624235621 350239670 /nfs/dbraw/zinc/23/96/70/350239670.db2.gz NHEVPWXRSYXEHK-TVYUQYBPSA-N 1 0 255.745 2.140 10 0 CEAERO CC[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1cccc(F)c1 ZINC000624237695 350240556 /nfs/dbraw/zinc/24/05/56/350240556.db2.gz BRHVHUHFUVKQNK-IHRRRGAJSA-N 1 0 253.317 2.016 10 0 CEAERO C[NH2+][C@H](c1cccc(C)c1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721157 180237774 /nfs/dbraw/zinc/23/77/74/180237774.db2.gz AOUJLIBFENOVHQ-OWCLPIDISA-N 1 0 260.381 2.119 10 0 CEAERO CC[NH2+][C@H](CCC(C)C)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721531 180237881 /nfs/dbraw/zinc/23/78/81/180237881.db2.gz JLHWDTKGBJUYOU-RBSFLKMASA-N 1 0 254.418 2.264 10 0 CEAERO CCC[C@H](C(=O)NCc1cc(F)cc(OC)c1)[NH+](C)C ZINC000091754017 180246207 /nfs/dbraw/zinc/24/62/07/180246207.db2.gz MZYSIXIYNBPXNR-CQSZACIVSA-N 1 0 282.359 2.181 10 0 CEAERO CC(C)(C)c1ccc(CN2C[C@H]3C[NH2+]CCN3C2=O)cc1 ZINC000091750936 180246214 /nfs/dbraw/zinc/24/62/14/180246214.db2.gz CZVILUSCPRIZLN-OAHLLOKOSA-N 1 0 287.407 2.194 10 0 CEAERO CCc1ccc(C(=O)Nc2nc3c(s2)C[NH2+]CC3)o1 ZINC000091762371 180247545 /nfs/dbraw/zinc/24/75/45/180247545.db2.gz CMFHALBWDNIYAX-UHFFFAOYSA-N 1 0 277.349 2.197 10 0 CEAERO CCc1ccc(C(=O)N(CC[NH3+])C(CC)CC)o1 ZINC000091777309 180251461 /nfs/dbraw/zinc/25/14/61/180251461.db2.gz DTCGEZRSZRHQOY-UHFFFAOYSA-N 1 0 252.358 2.432 10 0 CEAERO CC[NH2+][C@H](C)c1cccn1CC(=O)N(CC)CC ZINC000091801470 180259459 /nfs/dbraw/zinc/25/94/59/180259459.db2.gz NBGIGZZXZKQFOE-GFCCVEGCSA-N 1 0 251.374 2.027 10 0 CEAERO Cc1ccc(C)n1NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000091795713 180258256 /nfs/dbraw/zinc/25/82/56/180258256.db2.gz QRDWPEXQQCYDQL-CQSZACIVSA-N 1 0 257.337 2.265 10 0 CEAERO C[NH2+][C@H](C)c1cccn1CC(=O)NCc1ccccc1 ZINC000091800460 180258971 /nfs/dbraw/zinc/25/89/71/180258971.db2.gz CKYOSOQPYZVVRA-CYBMUJFWSA-N 1 0 271.364 2.085 10 0 CEAERO COC(=O)c1ccc(Cn2cccc2[C@@H](C)[NH3+])cc1 ZINC000091800149 180259206 /nfs/dbraw/zinc/25/92/06/180259206.db2.gz QJHFGEZHWGBFCV-LLVKDONJSA-N 1 0 258.321 2.343 10 0 CEAERO Cc1nc(CN(C)C)nc(C)c1C[C@H](C)C[NH2+]C(C)C ZINC000091723817 180242489 /nfs/dbraw/zinc/24/24/89/180242489.db2.gz WFYLRFPBSLRHSE-LBPRGKRZSA-N 1 0 278.444 2.332 10 0 CEAERO CN1CCO[C@@H](C[NH2+]Cc2ccc(-c3ccccc3)o2)C1 ZINC000105471758 186058474 /nfs/dbraw/zinc/05/84/74/186058474.db2.gz GWOFDPCSXQCRNZ-INIZCTEOSA-N 1 0 286.375 2.367 10 0 CEAERO CN1CCO[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2)C1 ZINC000105470792 186059701 /nfs/dbraw/zinc/05/97/01/186059701.db2.gz PRYOGBKJCVIMMQ-ZDUSSCGKSA-N 1 0 289.206 2.414 10 0 CEAERO CCC[NH2+][C@H](Cc1nc(CN(C)C)no1)C(C)(C)C ZINC000091747669 180244738 /nfs/dbraw/zinc/24/47/38/180244738.db2.gz HGSLXZWYOPDQCH-LLVKDONJSA-N 1 0 268.405 2.088 10 0 CEAERO CCc1ccc(C(=O)N(C)C2CCC([NH2+]C)CC2)o1 ZINC000091854541 180274309 /nfs/dbraw/zinc/27/43/09/180274309.db2.gz SUHVKXJSIFOKHD-UHFFFAOYSA-N 1 0 264.369 2.445 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)c2ccccc2OC)CC1 ZINC000091854496 180274730 /nfs/dbraw/zinc/27/47/30/180274730.db2.gz UHUSOZAYPAAGRY-UHFFFAOYSA-N 1 0 276.380 2.298 10 0 CEAERO CCC[NH2+][C@H](C)c1cccn1CC(=O)N[C@@H](C)CC ZINC000091802475 180259879 /nfs/dbraw/zinc/25/98/79/180259879.db2.gz UESRINOSWOIKJN-QWHCGFSZSA-N 1 0 265.401 2.463 10 0 CEAERO Cc1nn(C)c(Cn2ccc([C@@H](C)[NH3+])c2)c1Br ZINC000091803597 180260005 /nfs/dbraw/zinc/26/00/05/180260005.db2.gz OZFJASFLWXEHMR-MRVPVSSYSA-N 1 0 297.200 2.361 10 0 CEAERO CCC[NH2+][C@H](C)c1cccn1CC(=O)N(C)C1CC1 ZINC000091803138 180260079 /nfs/dbraw/zinc/26/00/79/180260079.db2.gz VRBHSWCBFMNWOK-GFCCVEGCSA-N 1 0 263.385 2.170 10 0 CEAERO CC[NH2+][C@@H](C)c1ccn(CC(=O)NC(CC)CC)c1 ZINC000091805639 180260401 /nfs/dbraw/zinc/26/04/01/180260401.db2.gz SEGVAKFHCXVJNN-LBPRGKRZSA-N 1 0 265.401 2.463 10 0 CEAERO CCCCNC(=O)Cn1ccc([C@@H](C)[NH2+]CCC)c1 ZINC000091806149 180260531 /nfs/dbraw/zinc/26/05/31/180260531.db2.gz UDEHNMUUKLGGGR-CYBMUJFWSA-N 1 0 265.401 2.465 10 0 CEAERO C[NH2+][C@@H](c1ccn(CC(=O)NC(C)(C)C)c1)C(C)C ZINC000091827013 180264702 /nfs/dbraw/zinc/26/47/02/180264702.db2.gz IZZJPADHUYHEQU-CQSZACIVSA-N 1 0 265.401 2.319 10 0 CEAERO CCC[NH2+][C@@H](c1ccn(CC(=O)OC)c1)C(C)C ZINC000091828151 180264874 /nfs/dbraw/zinc/26/48/74/180264874.db2.gz JHLKKYIHZWWVFR-CQSZACIVSA-N 1 0 252.358 2.358 10 0 CEAERO CCC[NH2+][C@H](c1ccn(CCCS(C)(=O)=O)c1)C1CC1 ZINC000091838951 180267668 /nfs/dbraw/zinc/26/76/68/180267668.db2.gz JKFZJVGPVHLHOI-HNNXBMFYSA-N 1 0 298.452 2.374 10 0 CEAERO CCN(C(=O)c1cc(C)ccc1O)C1CCC([NH3+])CC1 ZINC000091850398 180272085 /nfs/dbraw/zinc/27/20/85/180272085.db2.gz DICQWQZDWKNVJZ-UHFFFAOYSA-N 1 0 276.380 2.433 10 0 CEAERO CC[NH2+]Cc1ncoc1-c1cccc2c1OCCO2 ZINC000091957875 180292115 /nfs/dbraw/zinc/29/21/15/180292115.db2.gz DYOBRUMVZRUYCT-UHFFFAOYSA-N 1 0 260.293 2.222 10 0 CEAERO CCN(CC)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000091962083 180292988 /nfs/dbraw/zinc/29/29/88/180292988.db2.gz ZNGKSOAGLKPKKE-CHWSQXEVSA-N 1 0 253.390 2.055 10 0 CEAERO CCN(CC)C(=O)NC1(C(N)=[NH2+])CCCCCC1 ZINC000091962666 180293140 /nfs/dbraw/zinc/29/31/40/180293140.db2.gz QEVBSUPKEYWNJT-UHFFFAOYSA-N 1 0 254.378 2.067 10 0 CEAERO CCN(CC)C(=O)N(CCC[NH3+])C1CCCCC1 ZINC000091961445 180293368 /nfs/dbraw/zinc/29/33/68/180293368.db2.gz LWVBGMVEXDJGFQ-UHFFFAOYSA-N 1 0 255.406 2.432 10 0 CEAERO O[C@@H](C[NH2+]C[C@H]1Cc2ccccc21)COCc1ccco1 ZINC000090992453 539792225 /nfs/dbraw/zinc/79/22/25/539792225.db2.gz DZDRWCFMOKLEQP-CABCVRRESA-N 1 0 287.359 2.087 10 0 CEAERO CCOc1ccc(NC(=O)N2CCCC2)cc1C[NH3+] ZINC000091968805 180294409 /nfs/dbraw/zinc/29/44/09/180294409.db2.gz KTKGGGPEVPONHO-UHFFFAOYSA-N 1 0 263.341 2.172 10 0 CEAERO C[NH2+]C1CCC(NC(=O)Cc2noc3ccccc23)CC1 ZINC000091871930 180277809 /nfs/dbraw/zinc/27/78/09/180277809.db2.gz BLCKPDWPRCKNHX-UHFFFAOYSA-N 1 0 287.363 2.017 10 0 CEAERO C[NH2+]C1CCC(N(C)Cc2noc(C(C)(C)C)n2)CC1 ZINC000091872852 180277869 /nfs/dbraw/zinc/27/78/69/180277869.db2.gz WPVPRZJFSSWACK-UHFFFAOYSA-N 1 0 280.416 2.330 10 0 CEAERO CN(Cc1ccc(C[NH3+])cc1)C(=O)N1CCCCC1 ZINC000091969056 180294670 /nfs/dbraw/zinc/29/46/70/180294670.db2.gz ZRDCRGQNROWSGL-UHFFFAOYSA-N 1 0 261.369 2.183 10 0 CEAERO CC(C)(C)c1ccc([C@@H](O)[C@]2(C[NH3+])CCOC2)cc1 ZINC000091909666 180284710 /nfs/dbraw/zinc/28/47/10/180284710.db2.gz AANFXCADRPABTF-ZBFHGGJFSA-N 1 0 263.381 2.383 10 0 CEAERO CCOc1cc([C@@H](O)CC[NH3+])ccc1OC(F)F ZINC000091909062 180284748 /nfs/dbraw/zinc/28/47/48/180284748.db2.gz WOYXDYKTBGLPJN-VIFPVBQESA-N 1 0 261.268 2.069 10 0 CEAERO [NH3+]C[C@@]1([C@H](O)c2ccc3ccccc3c2)CCOC1 ZINC000091911642 180285041 /nfs/dbraw/zinc/28/50/41/180285041.db2.gz MUUXQUKWJRYJRK-CVEARBPZSA-N 1 0 257.333 2.239 10 0 CEAERO [NH3+]C[C@]1([C@@H](O)c2ccccc2C(F)(F)F)CCOC1 ZINC000091910861 180285251 /nfs/dbraw/zinc/28/52/51/180285251.db2.gz UJEPEQCSVWOQTC-NWDGAFQWSA-N 1 0 275.270 2.104 10 0 CEAERO [NH3+]CC1([C@@H](O)c2c(F)cccc2Cl)CCOCC1 ZINC000091910339 180285252 /nfs/dbraw/zinc/28/52/52/180285252.db2.gz JVCRWKQNHMXXMP-LBPRGKRZSA-N 1 0 273.735 2.268 10 0 CEAERO COc1cccc([C@@H](O)C2(C[NH3+])CCCC2)c1OC ZINC000091910462 180285297 /nfs/dbraw/zinc/28/52/97/180285297.db2.gz SAEHOFSSPJRQGV-CQSZACIVSA-N 1 0 265.353 2.256 10 0 CEAERO CCCC1CCC(C[NH3+])([C@H](O)[C@H]2CCOC2)CC1 ZINC000091912169 180285340 /nfs/dbraw/zinc/28/53/40/180285340.db2.gz YKEVUGXJEYPFTG-RAFNIBEQSA-N 1 0 255.402 2.319 10 0 CEAERO [NH3+]CC1([C@@]2(O)CCC[C@H](C(F)(F)F)C2)CCOCC1 ZINC000091921666 180286479 /nfs/dbraw/zinc/28/64/79/180286479.db2.gz OLOVBYUIJJXKPG-CMPLNLGQSA-N 1 0 281.318 2.226 10 0 CEAERO CCOC(=O)[C@H](O)C1(C[NH3+])CCC(C(C)(C)C)CC1 ZINC000091925492 180287184 /nfs/dbraw/zinc/28/71/84/180287184.db2.gz BIXICAQVLKEZLX-AVERBVTBSA-N 1 0 271.401 2.092 10 0 CEAERO CC[C@H]([NH3+])c1ccc(OC[C@@H]2CN(CC)CCO2)cc1 ZINC000092050955 180312225 /nfs/dbraw/zinc/31/22/25/180312225.db2.gz KKLQBGXEBGMOQB-HOTGVXAUSA-N 1 0 278.396 2.196 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(OC[C@H]2CN(C)CCO2)cc1 ZINC000092054169 180312913 /nfs/dbraw/zinc/31/29/13/180312913.db2.gz TXJOJXAACYMABS-XJKSGUPXSA-N 1 0 278.396 2.067 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@@H](C)c2ccccc2C)C1 ZINC000092052405 180313318 /nfs/dbraw/zinc/31/33/18/180313318.db2.gz VCMFMMAULWZTKL-GJZGRUSLSA-N 1 0 262.397 2.366 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]Cc2ccc(F)c(Cl)c2)C1 ZINC000092052662 180313382 /nfs/dbraw/zinc/31/33/82/180313382.db2.gz PUIMXEOIWQTZRT-LBPRGKRZSA-N 1 0 286.778 2.289 10 0 CEAERO CC[NH2+][C@H](C)c1cc(C)ccc1OC[C@H]1CN(C)CCO1 ZINC000092054301 180314129 /nfs/dbraw/zinc/31/41/29/180314129.db2.gz NNIHYTWGLNFARU-HUUCEWRRSA-N 1 0 292.423 2.375 10 0 CEAERO [NH3+]Cc1cccc(CNC(=O)N2CCCCCC2)c1 ZINC000091971051 180295203 /nfs/dbraw/zinc/29/52/03/180295203.db2.gz HHCDQIKDZZGDNA-UHFFFAOYSA-N 1 0 261.369 2.231 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1CNC(=O)N1CCCCCC1 ZINC000091971960 180295738 /nfs/dbraw/zinc/29/57/38/180295738.db2.gz QIIDPAQYNVPFOZ-CHWSQXEVSA-N 1 0 253.390 2.090 10 0 CEAERO CC(C)CN(CCC[NH3+])C(=O)N1CCC(C)CC1 ZINC000091972728 180296034 /nfs/dbraw/zinc/29/60/34/180296034.db2.gz IHWNACBZBLGBKC-UHFFFAOYSA-N 1 0 255.406 2.145 10 0 CEAERO C[C@@H]1CCCN(C(=O)N(C)C2(C[NH3+])CCCC2)C1 ZINC000091972907 180296093 /nfs/dbraw/zinc/29/60/93/180296093.db2.gz IYZOZTKUJMHDHI-GFCCVEGCSA-N 1 0 253.390 2.042 10 0 CEAERO C[C@H]1CCCN(C(=O)N(C)Cc2cccc(C[NH3+])c2)C1 ZINC000091972608 180296257 /nfs/dbraw/zinc/29/62/57/180296257.db2.gz FUJYAGINJNVZBT-ZDUSSCGKSA-N 1 0 275.396 2.429 10 0 CEAERO C[C@H]([NH3+])c1csc(NC(=O)N2CCC[C@H](C)C2)n1 ZINC000091973017 180296400 /nfs/dbraw/zinc/29/64/00/180296400.db2.gz CBLGDIJANNRTHF-IUCAKERBSA-N 1 0 268.386 2.427 10 0 CEAERO C[C@@H]1CCCN(C(=O)N(C)CC[C@@H]2CCCC[NH2+]2)C1 ZINC000091973146 180296675 /nfs/dbraw/zinc/29/66/75/180296675.db2.gz UTHFHPDYEXQBTI-KGLIPLIRSA-N 1 0 267.417 2.302 10 0 CEAERO CC[NH2+]Cc1nc(C)ccc1OCC(=O)NC(C)(C)CC ZINC000091994799 180300781 /nfs/dbraw/zinc/30/07/81/180300781.db2.gz WSNCINVINDKDJC-UHFFFAOYSA-N 1 0 293.411 2.183 10 0 CEAERO CCCNC(=O)[C@@H](C)Oc1ccc(C)nc1C[NH2+]CCC ZINC000091995030 180301149 /nfs/dbraw/zinc/30/11/49/180301149.db2.gz IZGCQEAJRNEVKI-CYBMUJFWSA-N 1 0 293.411 2.183 10 0 CEAERO CC[NH2+]Cc1nc(C)ccc1OC[C@H]1CCCCO1 ZINC000091994617 180301269 /nfs/dbraw/zinc/30/12/69/180301269.db2.gz BLUGJCJOOKMYOR-CYBMUJFWSA-N 1 0 264.369 2.447 10 0 CEAERO CNC(=O)CCCOc1ccc(C)nc1C[NH2+]CC(C)C ZINC000091996311 180301911 /nfs/dbraw/zinc/30/19/11/180301911.db2.gz ZRJRYRUTORGUOL-UHFFFAOYSA-N 1 0 293.411 2.041 10 0 CEAERO CC[C@H](C)NC(=O)COc1ccc(C)nc1C[NH2+]C(C)C ZINC000091995626 180301937 /nfs/dbraw/zinc/30/19/37/180301937.db2.gz NVDZYSVDKHDALK-LBPRGKRZSA-N 1 0 293.411 2.182 10 0 CEAERO Cc1ccc(O[C@H]2CCC[C@@H]2O)c(C[NH2+]C(C)C)n1 ZINC000091995528 180302110 /nfs/dbraw/zinc/30/21/10/180302110.db2.gz QGZJWEPFCKQJQZ-ZFWWWQNUSA-N 1 0 264.369 2.180 10 0 CEAERO CCC[NH2+]Cc1nc(C)ccc1O[C@H](C)C(=O)NC(C)C ZINC000091995261 180302189 /nfs/dbraw/zinc/30/21/89/180302189.db2.gz SXOUWKMANJKOQF-CYBMUJFWSA-N 1 0 293.411 2.182 10 0 CEAERO Cc1ccc(C(N)=S)c(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000092005327 180305408 /nfs/dbraw/zinc/30/54/08/180305408.db2.gz VAXYLORNSLMOSG-OLZOCXBDSA-N 1 0 289.448 2.302 10 0 CEAERO Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)nc(Cl)n1 ZINC000092023778 180308386 /nfs/dbraw/zinc/30/83/86/180308386.db2.gz HETZLVUIICIEDS-MNOVXSKESA-N 1 0 266.776 2.111 10 0 CEAERO CC(C)NS(=O)(=O)c1ccc(C[NH2+]C(C)C)cc1F ZINC000092115778 180327039 /nfs/dbraw/zinc/32/70/39/180327039.db2.gz HMRWIIIDPVTITL-UHFFFAOYSA-N 1 0 288.388 2.010 10 0 CEAERO CC[NH2+]Cc1ccccc1S(=O)(=O)N1C[C@H](C)[C@H](C)C1 ZINC000092113832 180327209 /nfs/dbraw/zinc/32/72/09/180327209.db2.gz CAFQABJASCHKQE-BETUJISGSA-N 1 0 296.436 2.073 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)N[C@H](C)c1ccc(SC)cc1 ZINC000092133297 180331207 /nfs/dbraw/zinc/33/12/07/180331207.db2.gz UUCKISMELNTVFA-WDEREUQCSA-N 1 0 266.410 2.441 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)N(C)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000092134234 180331978 /nfs/dbraw/zinc/33/19/78/180331978.db2.gz XANDDNWOSQTLJN-GVXVVHGQSA-N 1 0 264.369 2.217 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)Nc1cccc(NC(=O)C(C)(C)C)c1 ZINC000092136242 180332997 /nfs/dbraw/zinc/33/29/97/180332997.db2.gz KXOYCQSNHZRNNL-NSHDSACASA-N 1 0 291.395 2.465 10 0 CEAERO CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)C[NH2+]C ZINC000092137039 180333117 /nfs/dbraw/zinc/33/31/17/180333117.db2.gz NNADBGJQDHLBCD-MRVPVSSYSA-N 1 0 284.381 2.027 10 0 CEAERO C[C@@H]1CN([C@@H](C[NH3+])c2ccc3c(c2)OCO3)C[C@H]1C ZINC000092082785 180319391 /nfs/dbraw/zinc/31/93/91/180319391.db2.gz YFZMBLBIHFOBHC-WZRBSPASSA-N 1 0 262.353 2.003 10 0 CEAERO COc1ccc([C@@H](N)C[N@@H+]2C[C@H](C)[C@H](C)C2)cc1OC ZINC000092084816 180320248 /nfs/dbraw/zinc/32/02/48/180320248.db2.gz HBNHTIWADSNVKW-SCRDCRAPSA-N 1 0 278.396 2.291 10 0 CEAERO C[NH2+]C1(CC(=O)N2C[C@@H](C)[C@H](C)C2)CCCCC1 ZINC000092090570 180322278 /nfs/dbraw/zinc/32/22/78/180322278.db2.gz LRLWWTHHAUFPEN-CHWSQXEVSA-N 1 0 252.402 2.413 10 0 CEAERO COc1ccc(NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)cc1Cl ZINC000092201164 180342427 /nfs/dbraw/zinc/34/24/27/180342427.db2.gz NPBJMELJXMAWFV-RKDXNWHRSA-N 1 0 266.728 2.191 10 0 CEAERO Cc1ccc(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)cc1Cl ZINC000092201108 180342437 /nfs/dbraw/zinc/34/24/37/180342437.db2.gz WVFSDAUPDZBGIR-ZJUUUORDSA-N 1 0 250.729 2.490 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)Nc2ccccc2OC(F)(F)F)C1 ZINC000092201386 180342765 /nfs/dbraw/zinc/34/27/65/180342765.db2.gz GHYXXRRTFYQFQX-BDAKNGLRSA-N 1 0 286.253 2.427 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)N2CCC(Cc3ccccc3)CC2)C1 ZINC000092201882 180342946 /nfs/dbraw/zinc/34/29/46/180342946.db2.gz UNLUHXOEFWJLSO-DLBZAZTESA-N 1 0 284.403 2.371 10 0 CEAERO C[C@H](NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1)c1cc(F)ccc1F ZINC000092202428 180343036 /nfs/dbraw/zinc/34/30/36/180343036.db2.gz BRIBJKXDKDNDCF-IQJOONFLSA-N 1 0 266.291 2.045 10 0 CEAERO CN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092204782 180343685 /nfs/dbraw/zinc/34/36/85/180343685.db2.gz XQYAVVRYGZKJIT-DGCLKSJQSA-N 1 0 264.756 2.202 10 0 CEAERO C[C@@H](NC(=O)[C@H]1C=C[C@@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000092205813 180344220 /nfs/dbraw/zinc/34/42/20/180344220.db2.gz DVGGNJBKXBYPME-SUZMYJTESA-N 1 0 264.756 2.421 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)Nc2c3nsnc3ccc2Cl)C1 ZINC000092208360 180344858 /nfs/dbraw/zinc/34/48/58/180344858.db2.gz MOIDTKLBLCMJCI-NKWVEPMBSA-N 1 0 294.767 2.187 10 0 CEAERO CC(C)(C)[C@H]1C[NH2+]CCN1C[C@@H]1COc2ccccc21 ZINC000092307260 180360196 /nfs/dbraw/zinc/36/01/96/180360196.db2.gz RPLGSOJNAOYEDL-CZUORRHYSA-N 1 0 274.408 2.483 10 0 CEAERO CSc1ccc(C(=O)N[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000092231805 180347797 /nfs/dbraw/zinc/34/77/97/180347797.db2.gz LNXHYHITBRKKLQ-OLZOCXBDSA-N 1 0 264.394 2.408 10 0 CEAERO CC[NH+]1CCN(Cc2nc(-c3ccccc3)co2)CC1 ZINC000105868919 186080759 /nfs/dbraw/zinc/08/07/59/186080759.db2.gz OJNPGGFHCKJQFV-UHFFFAOYSA-N 1 0 271.364 2.479 10 0 CEAERO CSc1ccccc1C(=O)N1[C@H](C)C[C@@H]2C[NH2+]C[C@@H]21 ZINC000092231717 180348241 /nfs/dbraw/zinc/34/82/41/180348241.db2.gz LJTAQERVAYMZOT-WZRBSPASSA-N 1 0 276.405 2.231 10 0 CEAERO CSc1ccc(C(=O)N[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000092231998 180348515 /nfs/dbraw/zinc/34/85/15/180348515.db2.gz NVGPOEYNEDYKKK-NWDGAFQWSA-N 1 0 250.367 2.018 10 0 CEAERO CSc1ccc(C(=O)N2CC[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC000092232213 180348636 /nfs/dbraw/zinc/34/86/36/180348636.db2.gz UJNSITZNYCESCN-ZWNOBZJWSA-N 1 0 264.394 2.218 10 0 CEAERO C[C@H]([NH3+])Cc1noc([C@@H]2Cc3ccccc3S2)n1 ZINC000092234152 180348995 /nfs/dbraw/zinc/34/89/95/180348995.db2.gz QELPCFWTRFDUFT-KWQFWETISA-N 1 0 261.350 2.349 10 0 CEAERO C[C@H]([NH3+])Cc1noc([C@H]2Cc3ccccc3S2)n1 ZINC000092234154 180349113 /nfs/dbraw/zinc/34/91/13/180349113.db2.gz QELPCFWTRFDUFT-GZMMTYOYSA-N 1 0 261.350 2.349 10 0 CEAERO CCN(C(=O)[C@@H]1CSc2ccccc21)C1CC[NH2+]CC1 ZINC000092239146 180351023 /nfs/dbraw/zinc/35/10/23/180351023.db2.gz BPPVRYKGBVDVAO-CQSZACIVSA-N 1 0 290.432 2.476 10 0 CEAERO OC1(C2CC2)C[NH+](C[C@H]2Cc3ccccc3S2)C1 ZINC000092270283 180355629 /nfs/dbraw/zinc/35/56/29/180355629.db2.gz RRQJGCRUUJMORC-CYBMUJFWSA-N 1 0 261.390 2.160 10 0 CEAERO c1ccc(SCCN2CC[NH2+]C[C@@H]2C2CC2)cc1 ZINC000092272707 180356201 /nfs/dbraw/zinc/35/62/01/180356201.db2.gz DBFMSEYUSIELAA-OAHLLOKOSA-N 1 0 262.422 2.463 10 0 CEAERO C[C@@H]([NH3+])Cc1cnn(C[C@H]2Cc3ccccc3S2)c1 ZINC000092271358 180356247 /nfs/dbraw/zinc/35/62/47/180356247.db2.gz YKZKGZCHPMBPOZ-BXUZGUMPSA-N 1 0 273.405 2.490 10 0 CEAERO C[C@H](CN1CCOCC1)[NH2+]C[C@H]1CSc2ccccc21 ZINC000092275157 180356704 /nfs/dbraw/zinc/35/67/04/180356704.db2.gz YBKBEDFWPRHGLW-KGLIPLIRSA-N 1 0 292.448 2.186 10 0 CEAERO CC[NH2+]Cc1ncnn1C[C@H]1CSc2ccccc21 ZINC000092294608 180357676 /nfs/dbraw/zinc/35/76/76/180357676.db2.gz ADRNYIOPGYRFBS-NSHDSACASA-N 1 0 274.393 2.277 10 0 CEAERO CC(C)CC[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000105863424 186081420 /nfs/dbraw/zinc/08/14/20/186081420.db2.gz QQWUIUSGXHVTBY-UHFFFAOYSA-N 1 0 278.444 2.325 10 0 CEAERO c1ccc2c(c1)OC[C@@H]2CN1CCC[C@@H]1C[NH2+]C1CC1 ZINC000092302632 180359474 /nfs/dbraw/zinc/35/94/74/180359474.db2.gz HMVXIUNQMACHGO-DZGCQCFKSA-N 1 0 272.392 2.379 10 0 CEAERO COc1ccc(OCC[NH2+]C[C@@H]2CCCCO2)cc1 ZINC000105877575 186082453 /nfs/dbraw/zinc/08/24/53/186082453.db2.gz SIQWZOZXTVBEQG-HNNXBMFYSA-N 1 0 265.353 2.233 10 0 CEAERO CC(C)(C)SCc1noc([C@H]2C=C[C@@H]([NH3+])C2)n1 ZINC000092181984 180339050 /nfs/dbraw/zinc/33/90/50/180339050.db2.gz JJCCFFCXYYFZEU-DTWKUNHWSA-N 1 0 253.371 2.472 10 0 CEAERO CCc1nccn1[C@@H]1CCC[N@H+](CCCOC)C1 ZINC000105897571 186086662 /nfs/dbraw/zinc/08/66/62/186086662.db2.gz DHTUDJNWJZKURE-CYBMUJFWSA-N 1 0 251.374 2.119 10 0 CEAERO CCc1nc(Cc2cccnc2)nc(CC)c1CC[NH3+] ZINC000092308274 180361301 /nfs/dbraw/zinc/36/13/01/180361301.db2.gz SEUKVWADWPLNER-UHFFFAOYSA-N 1 0 270.380 2.088 10 0 CEAERO C[C@@H](c1ccc(F)cc1F)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105924273 186090250 /nfs/dbraw/zinc/09/02/50/186090250.db2.gz GPYUIEOHEBRRFO-WCQYABFASA-N 1 0 284.350 2.288 10 0 CEAERO CCOCC[N@@H+]1CCC[C@H](n2ccnc2CC)C1 ZINC000105922667 186090347 /nfs/dbraw/zinc/09/03/47/186090347.db2.gz BNQLFZBWGQLXET-ZDUSSCGKSA-N 1 0 251.374 2.119 10 0 CEAERO Cc1nn(-c2ccccn2)c(C)c1CC[NH2+]C1CC1 ZINC000092320654 180361666 /nfs/dbraw/zinc/36/16/66/180361666.db2.gz GZFIDLZYZFTAHT-UHFFFAOYSA-N 1 0 256.353 2.179 10 0 CEAERO Cc1nn(-c2ccc(C)nn2)c(C)c1CC[NH2+]C(C)C ZINC000092322917 180362183 /nfs/dbraw/zinc/36/21/83/180362183.db2.gz HMUTYHDGTSYMJG-UHFFFAOYSA-N 1 0 273.384 2.128 10 0 CEAERO Cc1nn(-c2ncccn2)c(C)c1[C@H](C)C[NH2+]C1CC1 ZINC000092321491 180362332 /nfs/dbraw/zinc/36/23/32/180362332.db2.gz JOQSHRSWTBCWRJ-SNVBAGLBSA-N 1 0 271.368 2.135 10 0 CEAERO CC[C@@H](C)N1C(=O)C[C@H]([NH2+][C@@H]2C[C@@H]2c2ccccc2)C1=O ZINC000105978175 186095623 /nfs/dbraw/zinc/09/56/23/186095623.db2.gz JGVRXGYYUWIIKD-NGFQHRJXSA-N 1 0 286.375 2.058 10 0 CEAERO Cc1cc(C[NH2+]Cc2c(C)nn(C)c2C)c(C)n1C ZINC000092325071 180363175 /nfs/dbraw/zinc/36/31/75/180363175.db2.gz ODLQUDFANZRLEM-UHFFFAOYSA-N 1 0 260.385 2.282 10 0 CEAERO COc1ccccc1[C@@H](C[NH3+])NCc1ccccc1 ZINC000106024235 186098799 /nfs/dbraw/zinc/09/87/99/186098799.db2.gz MXMIQMGOWKDSPX-OAHLLOKOSA-N 1 0 256.349 2.485 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)C1CC1)CCC2 ZINC000092384018 180373109 /nfs/dbraw/zinc/37/31/09/180373109.db2.gz UWKMVGYLQMYRSB-HZPDHXFCSA-N 1 0 261.365 2.433 10 0 CEAERO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(Cl)cc2)C[C@@H]1C ZINC000106101166 186101012 /nfs/dbraw/zinc/10/10/12/186101012.db2.gz QDJBDZZWLLFQBJ-QWHCGFSZSA-N 1 0 282.815 2.227 10 0 CEAERO Cc1noc(C)c1[C@H](C)NCCC[NH+]1CCCC1 ZINC000092332098 180364667 /nfs/dbraw/zinc/36/46/67/180364667.db2.gz YPORFCYFVIENNY-NSHDSACASA-N 1 0 251.374 2.428 10 0 CEAERO Cc1noc(C)c1CN1CC[C@@H](C[NH2+]CC(C)C)C1 ZINC000092339890 180365132 /nfs/dbraw/zinc/36/51/32/180365132.db2.gz UJEYZSKLAMXNOD-AWEZNQCLSA-N 1 0 265.401 2.359 10 0 CEAERO Cc1nn(C)c(C)c1Cn1c(C)[nH+]c2cc(N)ccc21 ZINC000092341809 180365835 /nfs/dbraw/zinc/36/58/35/180365835.db2.gz LJLAPSHGDXPHRR-UHFFFAOYSA-N 1 0 269.352 2.326 10 0 CEAERO CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1c(C)noc1C ZINC000092341863 180366097 /nfs/dbraw/zinc/36/60/97/180366097.db2.gz BHWNVHGSGHMZHE-AGUYFDCRSA-N 1 0 263.385 2.396 10 0 CEAERO COC(=O)C[C@H](C[NH3+])c1cc(C)nc2ccccc21 ZINC000092346917 180366654 /nfs/dbraw/zinc/36/66/54/180366654.db2.gz LUOIIPLWKWSEEQ-LLVKDONJSA-N 1 0 258.321 2.149 10 0 CEAERO Cc1cc(NC(=O)c2cccc(CC[NH3+])c2)ccn1 ZINC000092348631 180366865 /nfs/dbraw/zinc/36/68/65/180366865.db2.gz CCQSTRTZCGUUBB-UHFFFAOYSA-N 1 0 255.321 2.144 10 0 CEAERO CCC[C@@]1(C(=O)Nc2ccnc(C)c2)CCC[NH2+]C1 ZINC000092349927 180367963 /nfs/dbraw/zinc/36/79/63/180367963.db2.gz FCLYOAVMUJRFEV-OAHLLOKOSA-N 1 0 261.369 2.498 10 0 CEAERO Cc1cc(NC(=O)Nc2ccc(C[NH3+])cc2)ccn1 ZINC000092365430 180368998 /nfs/dbraw/zinc/36/89/98/180368998.db2.gz UUWIWGFPIUEXDC-UHFFFAOYSA-N 1 0 256.309 2.493 10 0 CEAERO COc1ccc2c(c1)[C@]([NH3+])(Cc1cc(C)nn1C)CCC2 ZINC000092367188 180369124 /nfs/dbraw/zinc/36/91/24/180369124.db2.gz NWGJFQBNXWCWTE-QGZVFWFLSA-N 1 0 285.391 2.470 10 0 CEAERO CCNc1cccc(C[N@@H+]2CCC[C@H](C(=O)OCC)C2)n1 ZINC000092367810 180369635 /nfs/dbraw/zinc/36/96/35/180369635.db2.gz IFBZMEOVWWMYAE-ZDUSSCGKSA-N 1 0 291.395 2.289 10 0 CEAERO CC(C)[C@H]1CCC(=O)N(Cc2cccc(NN)[nH+]2)CC1 ZINC000092371180 180369703 /nfs/dbraw/zinc/36/97/03/180369703.db2.gz SYINTJIREYFSLI-LBPRGKRZSA-N 1 0 276.384 2.152 10 0 CEAERO CCC(CC)[N@H+](CCO)Cc1cccc(NC)n1 ZINC000092369631 180369766 /nfs/dbraw/zinc/36/97/66/180369766.db2.gz JMOBXFVRXIGPBC-UHFFFAOYSA-N 1 0 251.374 2.106 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1c(C)nn(C)c1Cl ZINC000106378385 186111295 /nfs/dbraw/zinc/11/12/95/186111295.db2.gz BFRFQZXNWWALTH-LBPRGKRZSA-N 1 0 284.835 2.298 10 0 CEAERO CCNc1cccc(CN2CC[C@H]([NH+](CC)CC)C2)n1 ZINC000092370590 180370124 /nfs/dbraw/zinc/37/01/24/180370124.db2.gz LSBZJHOGGJFZLF-HNNXBMFYSA-N 1 0 276.428 2.430 10 0 CEAERO CC[C@H](C)[NH+]1CCN(Cc2cccc(NC)n2)CC1 ZINC000092370246 180370482 /nfs/dbraw/zinc/37/04/82/180370482.db2.gz KODNRBDDFHPYIQ-ZDUSSCGKSA-N 1 0 262.401 2.039 10 0 CEAERO CCNc1cccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000092371432 180371162 /nfs/dbraw/zinc/37/11/62/180371162.db2.gz WRHINZQWWAVMQI-CABCVRRESA-N 1 0 274.412 2.182 10 0 CEAERO COCC[N@H+](C1CC1)[C@H]1CCc2ccc(OC)cc2[C@@H]1O ZINC000092387862 180374495 /nfs/dbraw/zinc/37/44/95/180374495.db2.gz HRBHCXLKFQMVKR-IRXDYDNUSA-N 1 0 291.391 2.154 10 0 CEAERO Cc1cccc(CN2CC[NH2+]CC23CCCCC3)n1 ZINC000092431338 180384259 /nfs/dbraw/zinc/38/42/59/180384259.db2.gz LPBCJFIGFAIVPX-UHFFFAOYSA-N 1 0 259.397 2.498 10 0 CEAERO CCC[NH2+][C@@H]1c2cc(OC)ccc2CC[C@@H]1[S@](C)=O ZINC000092388995 180375151 /nfs/dbraw/zinc/37/51/51/180375151.db2.gz HUAQMFOKKIAREQ-QMTMVMCOSA-N 1 0 281.421 2.429 10 0 CEAERO CC[C@@H]([NH3+])[C@@]1(CCO)CCCc2ccc(OC)cc21 ZINC000092390678 180375646 /nfs/dbraw/zinc/37/56/46/180375646.db2.gz LNUBOQSMUVVXSS-HZPDHXFCSA-N 1 0 263.381 2.389 10 0 CEAERO COc1cccc(C[NH2+][C@@H](CO)C(C)C)c1OC(F)F ZINC000092392071 180376026 /nfs/dbraw/zinc/37/60/26/180376026.db2.gz SJLMOIZKZFZIKG-NSHDSACASA-N 1 0 289.322 2.403 10 0 CEAERO CC(C)[C@H](CO)[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000092400281 180377870 /nfs/dbraw/zinc/37/78/70/180377870.db2.gz VWSCHXNMIZXHKM-DLBZAZTESA-N 1 0 273.376 2.480 10 0 CEAERO COc1ccc([C@@H]2C[NH2+][C@H](C(C)C)CO2)c(OC)c1 ZINC000092403142 180378043 /nfs/dbraw/zinc/37/80/43/180378043.db2.gz PNUWTSCFOMESGT-ZFWWWQNUSA-N 1 0 265.353 2.389 10 0 CEAERO CNc1cc[nH+]c(CN(CCOC)[C@@H](C)C2CC2)c1 ZINC000092418694 180380673 /nfs/dbraw/zinc/38/06/73/180380673.db2.gz DVDREXYCGQBKIQ-LBPRGKRZSA-N 1 0 263.385 2.370 10 0 CEAERO COc1cccc(OC)c1OCc1cc(N)cc[nH+]1 ZINC000092420028 180382008 /nfs/dbraw/zinc/38/20/08/180382008.db2.gz GJKOWPSGHKNTJS-UHFFFAOYSA-N 1 0 260.293 2.260 10 0 CEAERO COc1ccc2c(c1)[C@H](N)[C@@H]([NH+]1CCCCC1)CC2 ZINC000092385229 180373610 /nfs/dbraw/zinc/37/36/10/180373610.db2.gz VKDIWLCSYLYWPX-HOTGVXAUSA-N 1 0 260.381 2.496 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH2+]CCCc1nnc[nH]1)CCC2 ZINC000092384195 180373661 /nfs/dbraw/zinc/37/36/61/180373661.db2.gz WIPXFRFDQRWXCB-OAHLLOKOSA-N 1 0 286.379 2.413 10 0 CEAERO COc1ccc2c(c1)[C@H](N)[C@H]([N@H+](C)C1CCOCC1)CC2 ZINC000092385605 180373757 /nfs/dbraw/zinc/37/37/57/180373757.db2.gz YFRSZJZYCISSMA-SJORKVTESA-N 1 0 290.407 2.121 10 0 CEAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@H](n1nc(C)nc1C)CC2 ZINC000092386142 180374182 /nfs/dbraw/zinc/37/41/82/180374182.db2.gz LYIBOWQSFVURET-HUUCEWRRSA-N 1 0 272.352 2.091 10 0 CEAERO CCOc1cc(C)c(NC(=O)CC[NH2+]C)cc1C ZINC000107294637 186168786 /nfs/dbraw/zinc/16/87/86/186168786.db2.gz BHMCRRPIOBHVFZ-UHFFFAOYSA-N 1 0 250.342 2.250 10 0 CEAERO C[C@H]1CN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CCS1 ZINC000106917638 186150578 /nfs/dbraw/zinc/15/05/78/186150578.db2.gz AOLIUCPBEHOPQS-DZGCQCFKSA-N 1 0 292.448 2.123 10 0 CEAERO Cc1cccnc1CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106918061 186151123 /nfs/dbraw/zinc/15/11/23/186151123.db2.gz XVDZHBUNRKTTII-QGZVFWFLSA-N 1 0 297.402 2.179 10 0 CEAERO CCOCCN(CC)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000107775166 186190285 /nfs/dbraw/zinc/19/02/85/186190285.db2.gz KKBVNNAWHBUKBJ-INIZCTEOSA-N 1 0 292.423 2.044 10 0 CEAERO CCN(C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(O)C2)c1ccccc1 ZINC000107923793 186198094 /nfs/dbraw/zinc/19/80/94/186198094.db2.gz VOMVFOAWICOWNJ-XYPWUTKMSA-N 1 0 288.391 2.027 10 0 CEAERO CCCC[C@H](C[NH3+])Nc1ncccc1C(=O)OCC ZINC000130523504 365964856 /nfs/dbraw/zinc/96/48/56/365964856.db2.gz XDENMHLLRXECSW-LLVKDONJSA-N 1 0 265.357 2.188 10 0 CEAERO COc1cc(C)c(C[N@H+](C)C(C)(C)CO)cc1OC ZINC000092508090 180398414 /nfs/dbraw/zinc/39/84/14/180398414.db2.gz QFRXXPSRNCRBLK-UHFFFAOYSA-N 1 0 267.369 2.215 10 0 CEAERO CCCC[C@@H](C[NH3+])Nc1ccc(S(C)(=O)=O)cc1 ZINC000130539521 365965992 /nfs/dbraw/zinc/96/59/92/365965992.db2.gz TYMFXSPTRNPMBZ-LBPRGKRZSA-N 1 0 270.398 2.020 10 0 CEAERO CCCC[C@@H](C[NH3+])Nc1ccc(C(=O)OCC)cn1 ZINC000130572575 365969324 /nfs/dbraw/zinc/96/93/24/365969324.db2.gz ZMAPAJDLSGHUFX-LBPRGKRZSA-N 1 0 265.357 2.188 10 0 CEAERO C[NH+](C)CCCNC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109151223 186244253 /nfs/dbraw/zinc/24/42/53/186244253.db2.gz VDAAOFNEXWGZMG-RYUDHWBXSA-N 1 0 282.334 2.136 10 0 CEAERO CCCc1cc(C)nc([C@H](CC)N2CC[NH2+]CC2)n1 ZINC000109475849 186255423 /nfs/dbraw/zinc/25/54/23/186255423.db2.gz LEJYLHAAXSBGOT-AWEZNQCLSA-N 1 0 262.401 2.094 10 0 CEAERO C[NH2+][C@@H]1CCCCC[C@H]1c1nc(-c2ncccn2)no1 ZINC000109505342 186257462 /nfs/dbraw/zinc/25/74/62/186257462.db2.gz MHOCRAJMFZDPIG-GHMZBOCLSA-N 1 0 273.340 2.162 10 0 CEAERO C[NH2+][C@H](Cc1nc(-c2ccc(OC)cc2)no1)C1CC1 ZINC000109503255 186257472 /nfs/dbraw/zinc/25/74/72/186257472.db2.gz KKUVFTNPFPGLLB-CYBMUJFWSA-N 1 0 273.336 2.286 10 0 CEAERO CCC[NH2+][C@@H](Cc1nc(CSC)no1)C(C)C ZINC000109508867 186258251 /nfs/dbraw/zinc/25/82/51/186258251.db2.gz QFWFQQJFQMIONS-JTQLQIEISA-N 1 0 257.403 2.499 10 0 CEAERO CCC[NH2+][C@@H](C)[C@H](CC)c1nc(-c2cnccn2)no1 ZINC000109507121 186258462 /nfs/dbraw/zinc/25/84/62/186258462.db2.gz YYCZJNWXXMVOAJ-QWRGUYRKSA-N 1 0 275.356 2.408 10 0 CEAERO CCC[NH2+][C@H]1CCCC[C@@H]1c1nc(COC)no1 ZINC000109518926 186258769 /nfs/dbraw/zinc/25/87/69/186258769.db2.gz ZJEPUMGXONIGKQ-QWRGUYRKSA-N 1 0 253.346 2.242 10 0 CEAERO C[NH2+][C@H](Cc1nc(CC(F)(F)F)no1)C(C)(C)C ZINC000109517302 186259374 /nfs/dbraw/zinc/25/93/74/186259374.db2.gz YRKRWVBXUVJHSO-SSDOTTSWSA-N 1 0 265.279 2.351 10 0 CEAERO C[NH2+][C@H](C)c1cccc(NC(=O)N[C@H]2CCCOC2)c1 ZINC000109552744 186262972 /nfs/dbraw/zinc/26/29/72/186262972.db2.gz ZTWBMBQGWRKLPS-RISCZKNCSA-N 1 0 277.368 2.268 10 0 CEAERO C[NH2+][C@H]1CCN(Cc2ccc(OC)cc2OC)C[C@@H]1C ZINC000109554369 186263288 /nfs/dbraw/zinc/26/32/88/186263288.db2.gz FHOBAHVQLIPTFY-WFASDCNBSA-N 1 0 278.396 2.134 10 0 CEAERO C[N@@H+]1CC[C@H](CNc2cc(C(=O)[O-])nc3ccccc32)C1 ZINC000109587691 186263374 /nfs/dbraw/zinc/26/33/74/186263374.db2.gz LUTACCOASUZVAA-LLVKDONJSA-N 1 0 285.347 2.297 10 0 CEAERO CN(C[C@@H]1CCCO1)c1cc(C[NH3+])nc2ccccc21 ZINC000109588905 186265014 /nfs/dbraw/zinc/26/50/14/186265014.db2.gz VMECARQXAVTLEM-ZDUSSCGKSA-N 1 0 271.364 2.309 10 0 CEAERO Cc1nnc(S[C@H]2CCCCC[C@@H]2C[NH3+])n1C ZINC000109687058 186268623 /nfs/dbraw/zinc/26/86/23/186268623.db2.gz RODFWICMWVBLDE-MNOVXSKESA-N 1 0 254.403 2.123 10 0 CEAERO Cn1cnnc1CC[NH2+][C@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000109422372 186251894 /nfs/dbraw/zinc/25/18/94/186251894.db2.gz VDAFYNDIAWEUJO-MJBXVCDLSA-N 1 0 262.401 2.306 10 0 CEAERO CN(Cc1ccccc1F)C(=O)C[NH2+]C(C)(C)C ZINC000109455698 186254321 /nfs/dbraw/zinc/25/43/21/186254321.db2.gz KOGBXELZTXOIKJ-UHFFFAOYSA-N 1 0 252.333 2.172 10 0 CEAERO C[NH+](C)[C@@H]1CCN(c2nc(C(C)(C)C)c(CO)s2)C1 ZINC000110276175 186289495 /nfs/dbraw/zinc/28/94/95/186289495.db2.gz ZAAANTNXMIHELV-SNVBAGLBSA-N 1 0 283.441 2.073 10 0 CEAERO NC(=S)c1ccc(N2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000110278578 186289578 /nfs/dbraw/zinc/28/95/78/186289578.db2.gz CFLMLVCWGNCDCA-OAHLLOKOSA-N 1 0 289.448 2.385 10 0 CEAERO CC[NH+](CC)[C@H]1CCN(Cc2ccc(N)c(C)c2)C1 ZINC000110370663 186294737 /nfs/dbraw/zinc/29/47/37/186294737.db2.gz RICYAVITLVASMY-HNNXBMFYSA-N 1 0 261.413 2.493 10 0 CEAERO Nc1cccc(NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000110380176 186294830 /nfs/dbraw/zinc/29/48/30/186294830.db2.gz RBJKDNBEBSTSDV-HNNXBMFYSA-N 1 0 288.395 2.361 10 0 CEAERO C[C@@H]1CCC[C@@H](C[NH3+])N1CC(=O)NC1CCCCCC1 ZINC000110480911 186299519 /nfs/dbraw/zinc/29/95/19/186299519.db2.gz RYNSOTOYTJMVLT-HIFRSBDPSA-N 1 0 281.444 2.027 10 0 CEAERO CC(C)(C)[NH2+]Cc1ccnc(O[C@H]2CCOC2)c1 ZINC000110532543 186302165 /nfs/dbraw/zinc/30/21/65/186302165.db2.gz OWUCEVDWJNDJOL-LBPRGKRZSA-N 1 0 250.342 2.137 10 0 CEAERO CC(C)[NH2+]CCc1nnc([C@H]2COc3ccccc3C2)o1 ZINC000110541234 186302385 /nfs/dbraw/zinc/30/23/85/186302385.db2.gz UQNIVZVZIUYAJP-CYBMUJFWSA-N 1 0 287.363 2.329 10 0 CEAERO O[C@]1(c2ccccc2OC(F)(F)F)CCC[NH2+]C1 ZINC000110551236 186302907 /nfs/dbraw/zinc/30/29/07/186302907.db2.gz RPDRTIXHDGQCKM-LLVKDONJSA-N 1 0 261.243 2.156 10 0 CEAERO CC[C@H]1CO[C@H](C)CN1C(=O)CC1CCC(C[NH3+])CC1 ZINC000110617442 186305139 /nfs/dbraw/zinc/30/51/39/186305139.db2.gz KKUZMRYNNAZPEO-URGYJCLVSA-N 1 0 282.428 2.168 10 0 CEAERO [NH3+]CC1CCC(CC(=O)N2C[C@H]3CC[C@@H]2C3)CC1 ZINC000110618062 186305843 /nfs/dbraw/zinc/30/58/43/186305843.db2.gz LAFJSMLVTNFKLO-CLRIEMFWSA-N 1 0 250.386 2.153 10 0 CEAERO CCCN(CC(F)(F)F)C(=O)Cc1ccc(C[NH3+])cc1 ZINC000110613305 186306029 /nfs/dbraw/zinc/30/60/29/186306029.db2.gz ISZXAOKSPHUFRE-UHFFFAOYSA-N 1 0 288.313 2.489 10 0 CEAERO COc1cc(N(C)CC2CC[NH+](C)CC2)c(N)cc1F ZINC000110628057 186307050 /nfs/dbraw/zinc/30/70/50/186307050.db2.gz CJGDSOIRWULXJF-UHFFFAOYSA-N 1 0 281.375 2.195 10 0 CEAERO CCOC(=O)C[C@@H]([NH3+])c1ccc(OC)c(OC)c1Cl ZINC000110827572 186327789 /nfs/dbraw/zinc/32/77/89/186327789.db2.gz BRXSQBPTBOWYNP-SECBINFHSA-N 1 0 287.743 2.310 10 0 CEAERO C[C@H]([NH2+]Cc1[nH]nnc1-c1ccccc1)[C@H]1CCCO1 ZINC000110924519 186333088 /nfs/dbraw/zinc/33/30/88/186333088.db2.gz HJPSJKYYXRQLKD-SMDDNHRTSA-N 1 0 272.352 2.129 10 0 CEAERO CN(CC(C)(C)C(=O)Nc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000110931235 186333553 /nfs/dbraw/zinc/33/35/53/186333553.db2.gz GRJPPOYLWSRLDY-OAHLLOKOSA-N 1 0 289.423 2.335 10 0 CEAERO CC(C)c1ccc(NC(=O)CN(C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000110931978 186333858 /nfs/dbraw/zinc/33/38/58/186333858.db2.gz IRULRTUZJURTOO-MRXNPFEDSA-N 1 0 289.423 2.432 10 0 CEAERO CCN(C(=O)c1ccc2ncccc2c1)[C@@H]1CCC[NH2+]C1 ZINC000110939950 186334284 /nfs/dbraw/zinc/33/42/84/186334284.db2.gz OIZFXUUPYUNMAR-OAHLLOKOSA-N 1 0 283.375 2.449 10 0 CEAERO CCOc1cc(CN(CC)[C@@H]2CCC[NH2+]C2)ccc1O ZINC000110936998 186334646 /nfs/dbraw/zinc/33/46/46/186334646.db2.gz MPNVFQQXABMUTL-CQSZACIVSA-N 1 0 278.396 2.365 10 0 CEAERO CCCN(c1ccc(C(N)=O)c(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000110948151 186335804 /nfs/dbraw/zinc/33/58/04/186335804.db2.gz PHHHIYWAEGVQDQ-LBPRGKRZSA-N 1 0 295.814 2.407 10 0 CEAERO Cc1ccc([C@@H](C)[NH3+])c(OCC(=O)N2CCCCC2)c1 ZINC000110958604 186336920 /nfs/dbraw/zinc/33/69/20/186336920.db2.gz DXCURCYYBXXCAJ-CYBMUJFWSA-N 1 0 276.380 2.406 10 0 CEAERO CCOC(=O)[C@H](c1ccc(C)c(F)c1)N1CCC[NH2+]CC1 ZINC000110978468 186338958 /nfs/dbraw/zinc/33/89/58/186338958.db2.gz OQLPPCZXVWAHMB-HNNXBMFYSA-N 1 0 294.370 2.034 10 0 CEAERO COc1ccc(C=O)cc1CN1CC[N@H+](C)C(C)(C)C1 ZINC000110729752 186318124 /nfs/dbraw/zinc/31/81/24/186318124.db2.gz XGYAPMDFEYGKIQ-UHFFFAOYSA-N 1 0 276.380 2.034 10 0 CEAERO Cc1ccc(C)c([C@H](O)C[N@H+]2CCN(C)C(C)(C)C2)c1 ZINC000110736588 186318590 /nfs/dbraw/zinc/31/85/90/186318590.db2.gz DRHZUNJUYUASHF-MRXNPFEDSA-N 1 0 276.424 2.363 10 0 CEAERO CCOc1ccc([C@@H](O)CN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000110736629 186319143 /nfs/dbraw/zinc/31/91/43/186319143.db2.gz QDSSSHRYIXMAFD-INIZCTEOSA-N 1 0 292.423 2.145 10 0 CEAERO CC(C)n1cccc1C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000110791877 186324625 /nfs/dbraw/zinc/32/46/25/186324625.db2.gz JQVSOIUYZKVLSA-CYBMUJFWSA-N 1 0 263.385 2.189 10 0 CEAERO NC(=O)c1ccc(NCC[C@H]2CCC[NH2+]C2)cc1Cl ZINC000110793302 186324899 /nfs/dbraw/zinc/32/48/99/186324899.db2.gz CBRXVAAYQFUGNB-SNVBAGLBSA-N 1 0 281.787 2.241 10 0 CEAERO COc1cc(NC[C@@H]2CC[N@@H+](C(C)C)C2)ccc1N ZINC000111054758 186349283 /nfs/dbraw/zinc/34/92/83/186349283.db2.gz CUEPRRKHSRHXET-LBPRGKRZSA-N 1 0 263.385 2.420 10 0 CEAERO CC[NH+](CC)C[C@@H](C)Nc1ccc(N)c(OC)c1 ZINC000111054918 186349347 /nfs/dbraw/zinc/34/93/47/186349347.db2.gz JLAYUAWXAXUKIP-LLVKDONJSA-N 1 0 251.374 2.420 10 0 CEAERO Cc1cccc([C@@H](SCCS(C)(=O)=O)[C@@H](C)[NH3+])c1 ZINC000111004430 186341803 /nfs/dbraw/zinc/34/18/03/186341803.db2.gz RZSQIFYADYWVIS-YPMHNXCESA-N 1 0 287.450 2.161 10 0 CEAERO C[NH2+][C@@H](C)c1ccccc1SCCS(C)(=O)=O ZINC000111005164 186341976 /nfs/dbraw/zinc/34/19/76/186341976.db2.gz WXJMMARKCAOFGV-JTQLQIEISA-N 1 0 273.423 2.104 10 0 CEAERO NC(=S)c1cc(F)ccc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000111032874 186346815 /nfs/dbraw/zinc/34/68/15/186346815.db2.gz JYBJESSBXISWBT-LBPRGKRZSA-N 1 0 293.411 2.134 10 0 CEAERO C[NH2+][C@H](CN(C)C[C@@H]1CCCOC1)c1ccc(OC)cc1 ZINC000111160564 186361405 /nfs/dbraw/zinc/36/14/05/186361405.db2.gz BETNOCSCLMUROA-WMLDXEAASA-N 1 0 292.423 2.314 10 0 CEAERO COc1cccc([C@H]([C@@H](C)N)[N@H+](C)CC2CCOCC2)c1 ZINC000111156065 186361803 /nfs/dbraw/zinc/36/18/03/186361803.db2.gz CVUXKFRSPUJZOK-DYVFJYSZSA-N 1 0 292.423 2.442 10 0 CEAERO CC[NH2+][C@H]1CCCC[C@@H]1N(C)C[C@@H]1CCCOC1 ZINC000111160366 186361813 /nfs/dbraw/zinc/36/18/13/186361813.db2.gz VMXLMCHVGKJFCL-KKUMJFAQSA-N 1 0 254.418 2.266 10 0 CEAERO COc1cccc([C@H]([C@H](C)N)[N@H+](C)CC2CCOCC2)c1 ZINC000111156062 186362528 /nfs/dbraw/zinc/36/25/28/186362528.db2.gz CVUXKFRSPUJZOK-GUYCJALGSA-N 1 0 292.423 2.442 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccco1)N(C)CC1CCOCC1 ZINC000111156439 186362786 /nfs/dbraw/zinc/36/27/86/186362786.db2.gz PMUKFHRLHKZBNX-BXUZGUMPSA-N 1 0 252.358 2.026 10 0 CEAERO CN(C[C@H]1C[C@H]2CC[C@@H]1C2)C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000111088102 186351998 /nfs/dbraw/zinc/35/19/98/186351998.db2.gz VNQVENUCTRELAY-UMSGYPCISA-N 1 0 252.402 2.254 10 0 CEAERO CCCOCCO[C@H](c1ccccn1)[C@@H]([NH3+])CC ZINC000111105613 186352538 /nfs/dbraw/zinc/35/25/38/186352538.db2.gz VBIDQILICGWRFW-JSGCOSHPSA-N 1 0 252.358 2.303 10 0 CEAERO COC(C[NH2+]C[C@H](c1ccccc1)N1CCCC1)OC ZINC000111111800 186353558 /nfs/dbraw/zinc/35/35/58/186353558.db2.gz RWZAKIMSLXSGAA-OAHLLOKOSA-N 1 0 278.396 2.032 10 0 CEAERO COC(C[NH2+][C@@H](C)Cc1ccccc1Cl)OC ZINC000111112038 186353587 /nfs/dbraw/zinc/35/35/87/186353587.db2.gz YKEMFEDLBFOWHO-JTQLQIEISA-N 1 0 257.761 2.480 10 0 CEAERO CCCOCCOc1ccc(C[NH2+]C(C)(C)C)nn1 ZINC000111110961 186353914 /nfs/dbraw/zinc/35/39/14/186353914.db2.gz OUMUCJVLNSCXNY-UHFFFAOYSA-N 1 0 267.373 2.170 10 0 CEAERO CCOCCN(CC)C[C@H]([NH2+]C)c1ccccc1OC ZINC000111118125 186354261 /nfs/dbraw/zinc/35/42/61/186354261.db2.gz AKVNKQYAISYJLN-HNNXBMFYSA-N 1 0 280.412 2.314 10 0 CEAERO CC[NH2+]Cc1c(N(CC)CCOCC)nc2sccn12 ZINC000111120625 186354533 /nfs/dbraw/zinc/35/45/33/186354533.db2.gz GCIOYNVGKWATEO-UHFFFAOYSA-N 1 0 296.440 2.368 10 0 CEAERO CCOCC[N@H+](CC)[C@H]1CCc2ccccc2[C@@H]1O ZINC000111121424 186355029 /nfs/dbraw/zinc/35/50/29/186355029.db2.gz MXNGAORJBGFJTG-HOTGVXAUSA-N 1 0 263.381 2.393 10 0 CEAERO CC[NH2+]Cc1ccc(N(CC)CCOCC)nc1 ZINC000111123603 186355500 /nfs/dbraw/zinc/35/55/00/186355500.db2.gz OLTGYUBQEKARGD-UHFFFAOYSA-N 1 0 251.374 2.054 10 0 CEAERO CN(CCC[NH+](C)C)c1ccc2ncccc2c1N ZINC000111132354 186356351 /nfs/dbraw/zinc/35/63/51/186356351.db2.gz WNRSIZNQRNBEBM-UHFFFAOYSA-N 1 0 258.369 2.205 10 0 CEAERO CN(CC[NH+](C)C)CC(=O)c1ccccc1Br ZINC000111139758 186357810 /nfs/dbraw/zinc/35/78/10/186357810.db2.gz ROHQSPLDWBLEDH-UHFFFAOYSA-N 1 0 299.212 2.125 10 0 CEAERO Cc1ccc([C@@H]([C@H](C)[NH3+])N(C)C[C@@H]2CCCOC2)o1 ZINC000111154784 186360231 /nfs/dbraw/zinc/36/02/31/186360231.db2.gz PSLPJXQZLMPQHU-KCQAQPDRSA-N 1 0 266.385 2.335 10 0 CEAERO CC(C)([NH3+])c1noc([C@H]2CCOc3ccccc32)n1 ZINC000111189375 186367739 /nfs/dbraw/zinc/36/77/39/186367739.db2.gz FMCDASLPKIQKKP-JTQLQIEISA-N 1 0 259.309 2.178 10 0 CEAERO C[N@@H+](Cc1nc(N)ccc1Cl)CC1CCOCC1 ZINC000111170900 186365417 /nfs/dbraw/zinc/36/54/17/186365417.db2.gz QFZCQALFGYZXNP-UHFFFAOYSA-N 1 0 269.776 2.176 10 0 CEAERO C[C@H]([NH3+])c1cnc(N(C)CC2CCOCC2)s1 ZINC000111177158 186365704 /nfs/dbraw/zinc/36/57/04/186365704.db2.gz LKWWPBOIMZNTCP-VIFPVBQESA-N 1 0 255.387 2.026 10 0 CEAERO C[N@H+](C[C@@H]1CCCOC1)C[C@@H]1CNc2ccccc2O1 ZINC000111179143 186366541 /nfs/dbraw/zinc/36/65/41/186366541.db2.gz JEIVRFBQWGIKLL-KBPBESRZSA-N 1 0 276.380 2.218 10 0 CEAERO CN(C)c1nnc(S[C@H](C[NH3+])c2ccsc2)s1 ZINC000111315464 186395886 /nfs/dbraw/zinc/39/58/86/186395886.db2.gz HYPWOHQADPZZOF-MRVPVSSYSA-N 1 0 286.451 2.458 10 0 CEAERO CC(C)CC[N@H+]([C@H](CN)C1CCOCC1)C1CC1 ZINC000111313669 186396458 /nfs/dbraw/zinc/39/64/58/186396458.db2.gz KDYGMAWDPINIGQ-OAHLLOKOSA-N 1 0 254.418 2.251 10 0 CEAERO CN(Cc1cccnc1)C[C@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111325562 186398431 /nfs/dbraw/zinc/39/84/31/186398431.db2.gz OJKYJTFJPCDFOB-QGZVFWFLSA-N 1 0 289.423 2.062 10 0 CEAERO C[NH2+]C[C@@]1(CN(C)Cc2ccoc2C)CCCOC1 ZINC000111328367 186399732 /nfs/dbraw/zinc/39/97/32/186399732.db2.gz UICUGFHMYXQHID-OAHLLOKOSA-N 1 0 266.385 2.036 10 0 CEAERO Cc1cccc(NC[C@@H]2CCN(Cc3ncc[nH]3)C2)[nH+]1 ZINC000111212997 186370501 /nfs/dbraw/zinc/37/05/01/186370501.db2.gz OYTCHLHJFOHTSI-ZDUSSCGKSA-N 1 0 271.368 2.047 10 0 CEAERO Cc1cccc([C@@H](CN)[N@H+](C)CC2CCOCC2)c1 ZINC000111239110 186374493 /nfs/dbraw/zinc/37/44/93/186374493.db2.gz NQFHOZZPTZAPGT-MRXNPFEDSA-N 1 0 262.397 2.353 10 0 CEAERO COc1ccccc1-c1noc([C@H]2C[NH2+]C[C@@H]2C)n1 ZINC000111256387 186379355 /nfs/dbraw/zinc/37/93/55/186379355.db2.gz CLRLLJMXZOZMTL-ONGXEEELSA-N 1 0 259.309 2.068 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1c1nc(Cc2ccc(F)cc2)no1 ZINC000111256329 186379406 /nfs/dbraw/zinc/37/94/06/186379406.db2.gz TYZVGDQGKJSIDR-CABZTGNLSA-N 1 0 261.300 2.122 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccccc1C(F)(F)F ZINC000111262870 186380558 /nfs/dbraw/zinc/38/05/58/186380558.db2.gz XMGBRIRJTBQHFS-BDAKNGLRSA-N 1 0 272.270 2.499 10 0 CEAERO CSc1ccc([C@H](C)NC(=O)[C@@H]2C[NH2+]C[C@@H]2C)cc1 ZINC000111265581 186381278 /nfs/dbraw/zinc/38/12/78/186381278.db2.gz IUGPRMMNWGCZLW-COPLHBTASA-N 1 0 278.421 2.441 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccccc1OC(F)F ZINC000111263886 186381890 /nfs/dbraw/zinc/38/18/90/186381890.db2.gz YQLLQCYUSMNGRR-RKDXNWHRSA-N 1 0 270.279 2.082 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000111268272 186384143 /nfs/dbraw/zinc/38/41/43/186384143.db2.gz QGQKWBXTFWDVPD-NHYWBVRUSA-N 1 0 276.355 2.172 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CCc2sccc2[C@@H]1C ZINC000111270163 186384333 /nfs/dbraw/zinc/38/43/33/186384333.db2.gz XLPIQGHMTJNUBS-SCVCMEIPSA-N 1 0 264.394 2.049 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1CCCc2sccc21 ZINC000111272557 186384656 /nfs/dbraw/zinc/38/46/56/186384656.db2.gz LGNJCVNKDHJHRX-ZMLRMANQSA-N 1 0 264.394 2.097 10 0 CEAERO CC[C@H](C)c1noc([C@H]2CCCN2C2CC[NH2+]CC2)n1 ZINC000111274517 186384974 /nfs/dbraw/zinc/38/49/74/186384974.db2.gz QPNXPWDLPFPRBY-WCQYABFASA-N 1 0 278.400 2.472 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CCC2(CCCCC2)CC1 ZINC000111272632 186385449 /nfs/dbraw/zinc/38/54/49/186385449.db2.gz ZRPVDRYEWXOARD-KGLIPLIRSA-N 1 0 264.413 2.415 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc2ncccc2c1 ZINC000111272487 186385971 /nfs/dbraw/zinc/38/59/71/186385971.db2.gz LUKGIGLWAQVOOI-MFKMUULPSA-N 1 0 255.321 2.029 10 0 CEAERO Cc1ccnc2[nH]c([C@H]3CCCN3C3CC[NH2+]CC3)nc21 ZINC000111280131 186387590 /nfs/dbraw/zinc/38/75/90/186387590.db2.gz GGBASCSEZCGICI-CYBMUJFWSA-N 1 0 285.395 2.155 10 0 CEAERO [NH3+]Cc1ccc(C(=O)Nc2cc(F)cc(F)c2)nc1 ZINC000111281138 186387598 /nfs/dbraw/zinc/38/75/98/186387598.db2.gz CJGJCSUNBPETJK-UHFFFAOYSA-N 1 0 263.247 2.071 10 0 CEAERO [NH3+]Cc1ccc(C(=O)Nc2ccc(F)c(F)c2F)nc1 ZINC000111281234 186388123 /nfs/dbraw/zinc/38/81/23/186388123.db2.gz GHHCTYNJKDBPJN-UHFFFAOYSA-N 1 0 281.237 2.210 10 0 CEAERO C[C@H]1Cc2ccccc2N1C(=O)c1ccc(C[NH3+])cn1 ZINC000111281165 186389076 /nfs/dbraw/zinc/38/90/76/186389076.db2.gz ZFTZVLXDDYFKQO-NSHDSACASA-N 1 0 267.332 2.132 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C[C@H](C)COC ZINC000251850444 539808892 /nfs/dbraw/zinc/80/88/92/539808892.db2.gz RSGVMGKRZWMWHP-RRFJBIMHSA-N 1 0 254.418 2.218 10 0 CEAERO CCc1c(Cl)ncnc1OCC[NH+](CC)CC ZINC000111294085 186390804 /nfs/dbraw/zinc/39/08/04/186390804.db2.gz KLQOFQMTHBIBFY-UHFFFAOYSA-N 1 0 257.765 2.413 10 0 CEAERO C[C@@H](C1CC1)N(C)c1nc2sccn2c1CC[NH3+] ZINC000111479928 186422034 /nfs/dbraw/zinc/42/20/34/186422034.db2.gz AVNULTHUPAIIPK-VIFPVBQESA-N 1 0 264.398 2.132 10 0 CEAERO Cc1nn(C)c(N(C)C2CCC(C)CC2)c1CC[NH3+] ZINC000111485821 186423123 /nfs/dbraw/zinc/42/31/23/186423123.db2.gz BBVNXKVUTDQQSR-UHFFFAOYSA-N 1 0 264.417 2.245 10 0 CEAERO COCCCN(CCOC)c1ccc(C[C@@H](C)[NH3+])cc1F ZINC000111505996 186425030 /nfs/dbraw/zinc/42/50/30/186425030.db2.gz IVHLYOVCRSMFET-CYBMUJFWSA-N 1 0 298.402 2.205 10 0 CEAERO Cn1ccnc1Sc1nc2ccccn2c1C[NH2+]C1CC1 ZINC000111554849 186427641 /nfs/dbraw/zinc/42/76/41/186427641.db2.gz NQLRIIWFRDBING-UHFFFAOYSA-N 1 0 299.403 2.471 10 0 CEAERO C[C@@H]([NH3+])Cc1ccc(Sc2nccc(=O)[nH]2)c(F)c1 ZINC000111583478 186429490 /nfs/dbraw/zinc/42/94/90/186429490.db2.gz OSESEXPPZGSNRF-MRVPVSSYSA-N 1 0 279.340 2.362 10 0 CEAERO C[C@@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)NCCOC1CCCCC1 ZINC000111651232 186437385 /nfs/dbraw/zinc/43/73/85/186437385.db2.gz HWOKRCXGGAHOBO-IPYPFGDCSA-N 1 0 282.428 2.215 10 0 CEAERO COCCCSc1nc2c(cc1C(N)=[NH2+])CCCC2 ZINC000111659249 186438435 /nfs/dbraw/zinc/43/84/35/186438435.db2.gz JVYQUKCHGWZECX-UHFFFAOYSA-N 1 0 279.409 2.373 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc(C)nc(-c2cc(C)ccn2)n1 ZINC000111682570 186441273 /nfs/dbraw/zinc/44/12/73/186441273.db2.gz OQEZRADTUKUUGO-GFCCVEGCSA-N 1 0 256.353 2.435 10 0 CEAERO O=C(COC1CC[NH2+]CC1)Nc1ccc(F)cc1Cl ZINC000111757387 186453403 /nfs/dbraw/zinc/45/34/03/186453403.db2.gz BZQAQQDIDRNURP-UHFFFAOYSA-N 1 0 286.734 2.186 10 0 CEAERO CC[C@@H](NC(=O)COC1CC[NH2+]CC1)c1ccccc1 ZINC000111797190 186458783 /nfs/dbraw/zinc/45/87/83/186458783.db2.gz XGGLSDOOADICOL-OAHLLOKOSA-N 1 0 276.380 2.023 10 0 CEAERO Cc1cccc(NC(=O)CCOC2CC[NH2+]CC2)c1C ZINC000111799835 186459295 /nfs/dbraw/zinc/45/92/95/186459295.db2.gz ANOYSJNBKVARBF-UHFFFAOYSA-N 1 0 276.380 2.401 10 0 CEAERO CCC(CC)(C[NH3+])Nc1ccc(S(=O)(=O)CC)cc1 ZINC000111823025 186460350 /nfs/dbraw/zinc/46/03/50/186460350.db2.gz DTSJFGHZKCIDSH-UHFFFAOYSA-N 1 0 284.425 2.410 10 0 CEAERO C[C@@H]([NH3+])c1ccccc1Nc1ccccc1S(N)(=O)=O ZINC000111379497 186409370 /nfs/dbraw/zinc/40/93/70/186409370.db2.gz SHSLNOUWVGOBBB-SNVBAGLBSA-N 1 0 291.376 2.097 10 0 CEAERO [NH3+]C[C@H](Nc1ncnc2c1CCC2)c1ccccc1 ZINC000111376260 186409427 /nfs/dbraw/zinc/40/94/27/186409427.db2.gz XATNGBODYWDVRP-AWEZNQCLSA-N 1 0 254.337 2.077 10 0 CEAERO C[C@@H]([NH3+])[C@@H]1CCCN(c2ncccc2Br)C1 ZINC000069725731 362994540 /nfs/dbraw/zinc/99/45/40/362994540.db2.gz CWPMHGHJNKANHU-NXEZZACHSA-N 1 0 284.201 2.408 10 0 CEAERO CN1CC[C@@H]([NH3+])[C@@H]1c1cccc(Br)c1 ZINC000069798750 363001841 /nfs/dbraw/zinc/00/18/41/363001841.db2.gz WWETYTHXTSHEFV-MNOVXSKESA-N 1 0 255.159 2.153 10 0 CEAERO O[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)cn2)C1 ZINC000069938652 363014724 /nfs/dbraw/zinc/01/47/24/363014724.db2.gz PNARKODXGCRHSG-PWSUYJOCSA-N 1 0 285.185 2.237 10 0 CEAERO CCC[N@H+](C[C@@H](O)COCc1ccccc1)C1CC1 ZINC000070069879 363025960 /nfs/dbraw/zinc/02/59/60/363025960.db2.gz JLMOEWRUCJUHQX-MRXNPFEDSA-N 1 0 263.381 2.439 10 0 CEAERO CO[C@H]1C[NH2+][C@@](C)(c2nc(-c3ccccc3F)no2)C1 ZINC000629677885 351464980 /nfs/dbraw/zinc/46/49/80/351464980.db2.gz CMFDBCLNYQTTIW-YMTOWFKASA-N 1 0 277.299 2.099 10 0 CEAERO C[C@@H]([NH3+])[C@H]1CCCN(c2ncnc3ccsc32)C1 ZINC000070175120 363048991 /nfs/dbraw/zinc/04/89/91/363048991.db2.gz YSPFNQMZMGFTRO-ZJUUUORDSA-N 1 0 262.382 2.255 10 0 CEAERO C[C@@H](C(=O)N(C)C[C@@H]1CCCCO1)[C@H]([NH3+])c1ccccc1 ZINC000130332493 187486600 /nfs/dbraw/zinc/48/66/00/187486600.db2.gz FOIRIJMICXTNME-KBMXLJTQSA-N 1 0 290.407 2.350 10 0 CEAERO CCCN(CC[NH+](CC)CC)C(=O)[C@@H]1CC[C@H](C)O1 ZINC000120797055 186926573 /nfs/dbraw/zinc/92/65/73/186926573.db2.gz OUVYUMPXPQWVAX-KBPBESRZSA-N 1 0 270.417 2.134 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccccc1O ZINC000120850239 186930715 /nfs/dbraw/zinc/93/07/15/186930715.db2.gz CEQFEBZSOMQTRN-OAHLLOKOSA-N 1 0 290.407 2.171 10 0 CEAERO Cc1ccc(C)c(-c2cc(C(=O)N3CCC([NH3+])CC3)[nH]n2)c1 ZINC000070451520 363082828 /nfs/dbraw/zinc/08/28/28/363082828.db2.gz WVKJXDQQGZAORO-UHFFFAOYSA-N 1 0 298.390 2.257 10 0 CEAERO C[C@@H]1CC[C@H](C)[N@H+]1C[C@H](O)COCc1ccccc1 ZINC000131467537 366057349 /nfs/dbraw/zinc/05/73/49/366057349.db2.gz XPAUWWFPFWJDKN-LZWOXQAQSA-N 1 0 263.381 2.437 10 0 CEAERO Cc1cc(CN2C[C@@H](C)[C@H]([NH+](C)C)C2)cc(C)c1O ZINC000131478339 366058413 /nfs/dbraw/zinc/05/84/13/366058413.db2.gz WWDXXOAGLXFMIQ-UKRRQHHQSA-N 1 0 262.397 2.391 10 0 CEAERO CCc1nc(-c2cccnc2)cc(N2CCC([NH3+])CC2)n1 ZINC000070451899 363084178 /nfs/dbraw/zinc/08/41/78/363084178.db2.gz ANCFZEXSPHTSLW-UHFFFAOYSA-N 1 0 283.379 2.029 10 0 CEAERO Cc1nc(-c2ccccc2F)nc(N2CC[C@H]([NH3+])C2)c1C ZINC000070455837 363084606 /nfs/dbraw/zinc/08/46/06/363084606.db2.gz RMXRKHQGBBJWNW-LBPRGKRZSA-N 1 0 286.354 2.437 10 0 CEAERO CO[C@@H]1CN(C(=O)CCC2CCCCC2)[C@](C)(C[NH3+])C1 ZINC000630360819 351711767 /nfs/dbraw/zinc/71/17/67/351711767.db2.gz IAHZRIGDGLPROK-HOCLYGCPSA-N 1 0 282.428 2.312 10 0 CEAERO CO[C@H]1CN(CCSc2ccccc2)[C@](C)(C[NH3+])C1 ZINC000630361544 351712288 /nfs/dbraw/zinc/71/22/88/351712288.db2.gz JQNYBDBETMEDTM-HIFRSBDPSA-N 1 0 280.437 2.217 10 0 CEAERO CC[C@H](CC(F)F)CN1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630366352 351714313 /nfs/dbraw/zinc/71/43/13/351714313.db2.gz KDYQCZLXKWLDSW-MDZLAQPJSA-N 1 0 264.360 2.106 10 0 CEAERO Cc1nc2ccccc2nc1N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000630534037 351775311 /nfs/dbraw/zinc/77/53/11/351775311.db2.gz SUNVIZJAFIRURP-JQWIXIFHSA-N 1 0 256.353 2.491 10 0 CEAERO Cc1nc(N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)sc1C ZINC000630540201 351777906 /nfs/dbraw/zinc/77/79/06/351777906.db2.gz WPIDNZFKSNZZLR-BETUJISGSA-N 1 0 251.399 2.196 10 0 CEAERO Cc1cc(C)nc(N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)n1 ZINC000630526907 351773382 /nfs/dbraw/zinc/77/33/82/351773382.db2.gz NSXARAURZZLUJP-QWRGUYRKSA-N 1 0 288.317 2.057 10 0 CEAERO C[NH2+]CCOCCNc1ncc(C(F)(F)F)cc1Cl ZINC000630530803 351774400 /nfs/dbraw/zinc/77/44/00/351774400.db2.gz PTCOFLLJZMEFEK-UHFFFAOYSA-N 1 0 297.708 2.402 10 0 CEAERO Cc1cnn([C@@H]2CCC[N@H+](Cc3c[nH]nc3C)C2)c1 ZINC000123105936 187071613 /nfs/dbraw/zinc/07/16/13/187071613.db2.gz QOBSDRGVELYJGK-CQSZACIVSA-N 1 0 259.357 2.060 10 0 CEAERO Cc1cnn([C@H]2CCC[N@@H+](Cc3cn(C)nc3C)C2)c1 ZINC000122975373 187063115 /nfs/dbraw/zinc/06/31/15/187063115.db2.gz KPUTUPWJKHCHKU-HNNXBMFYSA-N 1 0 273.384 2.071 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1C ZINC000124152831 187124682 /nfs/dbraw/zinc/12/46/82/187124682.db2.gz PXMNFFSDMJJTCO-UONOGXRCSA-N 1 0 267.417 2.301 10 0 CEAERO COc1ccccc1[C@H](C)[NH2+]C[C@@H](C)N1CCOCC1 ZINC000123340232 187086027 /nfs/dbraw/zinc/08/60/27/187086027.db2.gz VFTDWFUKBACKIZ-KGLIPLIRSA-N 1 0 278.396 2.067 10 0 CEAERO CCOC(=O)c1ccc(CN(C)C[C@H]2CCC[N@@H+]2CC)o1 ZINC000123445395 187092125 /nfs/dbraw/zinc/09/21/25/187092125.db2.gz JGMNSZHVONDHAS-CYBMUJFWSA-N 1 0 294.395 2.372 10 0 CEAERO CCOc1ccc([C@H](C)[NH2+]C[C@H](C)N2CCOCC2)cc1 ZINC000123537862 187097285 /nfs/dbraw/zinc/09/72/85/187097285.db2.gz BQEIGSYJXRZFNY-GJZGRUSLSA-N 1 0 292.423 2.457 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1cccc(Cl)c1F ZINC000131099710 187541250 /nfs/dbraw/zinc/54/12/50/187541250.db2.gz ZHXDOVDQSHQBRQ-GZMMTYOYSA-N 1 0 270.735 2.336 10 0 CEAERO Cc1cnc([C@H](C)[NH2+]C[C@H](O)COC(C)(C)C)s1 ZINC000124320436 187131919 /nfs/dbraw/zinc/13/19/19/187131919.db2.gz FDWYYMGMQHWOGR-QWRGUYRKSA-N 1 0 272.414 2.278 10 0 CEAERO COc1cccc([C@H](C)NC(=O)[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000148370590 539826771 /nfs/dbraw/zinc/82/67/71/539826771.db2.gz VFAHRGRAONMKCN-CORIIIEPSA-N 1 0 276.380 2.247 10 0 CEAERO COCCOc1cccc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000070575748 363098607 /nfs/dbraw/zinc/09/86/07/363098607.db2.gz BHUCMNQZEZJHND-QWHCGFSZSA-N 1 0 292.379 2.168 10 0 CEAERO [NH3+][C@H](CO)c1cc(Br)cc(C(F)(F)F)c1 ZINC000072199642 363121464 /nfs/dbraw/zinc/12/14/64/363121464.db2.gz FCMGTYDCYSTMGU-MRVPVSSYSA-N 1 0 284.075 2.460 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@H]2CCCc3sccc32)C1 ZINC000252645466 539884421 /nfs/dbraw/zinc/88/44/21/539884421.db2.gz QMZHBBCCUTXATH-OCCSQVGLSA-N 1 0 280.437 2.436 10 0 CEAERO C[C@@H](NC(=O)CC1([NH3+])CCC1)c1cc(F)ccc1F ZINC000094293738 539874307 /nfs/dbraw/zinc/87/43/07/539874307.db2.gz LVACOGSEGJSJBW-SECBINFHSA-N 1 0 268.307 2.414 10 0 CEAERO Cc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)s1 ZINC000237860105 539875443 /nfs/dbraw/zinc/87/54/43/539875443.db2.gz RZLWPMHPVWUUAC-FOSCPWQOSA-N 1 0 264.394 2.378 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000094646794 539883738 /nfs/dbraw/zinc/88/37/38/539883738.db2.gz OZTGGGXZCNQUPQ-AAEUAGOBSA-N 1 0 290.363 2.175 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@H](C)c2ccc(C)cc2OC)C1 ZINC000252743632 539897796 /nfs/dbraw/zinc/89/77/96/539897796.db2.gz QBBHCEYBXBFKMS-HUUCEWRRSA-N 1 0 292.423 2.375 10 0 CEAERO CCCc1nsc(N2CCC[C@@H](C)[C@H]2C[NH3+])n1 ZINC000249720617 539962756 /nfs/dbraw/zinc/96/27/56/539962756.db2.gz FKKMYMQOUFYLAQ-NXEZZACHSA-N 1 0 254.403 2.054 10 0 CEAERO CC[C@@H](C)OCC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000152482231 188022768 /nfs/dbraw/zinc/02/27/68/188022768.db2.gz ZPUQYFPGGSHWGE-UKRRQHHQSA-N 1 0 278.396 2.221 10 0 CEAERO CCCCOC[C@H](O)C[N@H+](C)Cc1occc1C ZINC000292330701 198246157 /nfs/dbraw/zinc/24/61/57/198246157.db2.gz OOXJWKAFFPKPNC-CYBMUJFWSA-N 1 0 255.358 2.197 10 0 CEAERO CC(C)C[C@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2C1)[NH+](C)C ZINC000251363997 539973372 /nfs/dbraw/zinc/97/33/72/539973372.db2.gz DVWSCHZECPYDID-XJFOESAGSA-N 1 0 252.402 2.125 10 0 CEAERO CCC[C@H](C(=O)NCc1ccc(C)cc1OC)[NH+](C)C ZINC000154034785 188118914 /nfs/dbraw/zinc/11/89/14/188118914.db2.gz AQCXTCYNBUYYAG-CQSZACIVSA-N 1 0 278.396 2.350 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc(F)c2)C1 ZINC000155486559 188209605 /nfs/dbraw/zinc/20/96/05/188209605.db2.gz FPNHWEJQANFJHU-RISCZKNCSA-N 1 0 264.344 2.284 10 0 CEAERO CNC(=O)CC[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000156740449 188278771 /nfs/dbraw/zinc/27/87/71/188278771.db2.gz HHSHIYGYFGMHKI-HNNXBMFYSA-N 1 0 260.381 2.426 10 0 CEAERO COC(=O)[C@H]1CCC[N@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000157155224 188300325 /nfs/dbraw/zinc/30/03/25/188300325.db2.gz KBHWDSGCFNCRGE-KBPBESRZSA-N 1 0 259.349 2.211 10 0 CEAERO C[C@@H]1CCCN(c2ncccc2Br)[C@H]1C[NH3+] ZINC000252208621 540002583 /nfs/dbraw/zinc/00/25/83/540002583.db2.gz VRUQBPJFLDORSH-KOLCDFICSA-N 1 0 284.201 2.408 10 0 CEAERO CCC[C@H]([NH3+])C(=O)Nc1cccc(OCCF)c1 ZINC000236939992 370660811 /nfs/dbraw/zinc/66/08/11/370660811.db2.gz LAGOUGXLIMTUKM-LBPRGKRZSA-N 1 0 254.305 2.101 10 0 CEAERO Cc1cccc([C@H](C)[NH2+]C[C@H](O)COC[C@@H]2CCCO2)c1 ZINC000157329672 540038504 /nfs/dbraw/zinc/03/85/04/540038504.db2.gz UROGMSUESHBWKC-XIRDDKMYSA-N 1 0 293.407 2.202 10 0 CEAERO CCC(C)(C)NC(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000675056219 540073537 /nfs/dbraw/zinc/07/35/37/540073537.db2.gz LXBTYPSJOALPCX-BXUZGUMPSA-N 1 0 253.390 2.006 10 0 CEAERO COc1cc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)sn1 ZINC000401107879 540076100 /nfs/dbraw/zinc/07/61/00/540076100.db2.gz JBNQNLHMATZDDI-BXUZGUMPSA-N 1 0 282.409 2.279 10 0 CEAERO c1cn(Cc2ccccc2)c(CN2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000172394967 188799555 /nfs/dbraw/zinc/79/95/55/188799555.db2.gz GWZRKIMAGRTSBH-QGZVFWFLSA-N 1 0 296.418 2.211 10 0 CEAERO CC(C)(C)OC(=O)N1CC(c2cncs2)=C[C@H]([NH3+])C1 ZINC000675077560 540118393 /nfs/dbraw/zinc/11/83/93/540118393.db2.gz GCQOVOXRDGAXST-JTQLQIEISA-N 1 0 281.381 2.105 10 0 CEAERO [NH3+]CC[C@H](O)c1cc(Br)ccc1Cl ZINC000083557812 540118489 /nfs/dbraw/zinc/11/84/89/540118489.db2.gz PVDIYZKJFNOKIC-VIFPVBQESA-N 1 0 264.550 2.485 10 0 CEAERO CC[C@@H]1COC(C)(C)C[N@@H+]1C[C@H]1CCC[C@H](O)C1 ZINC000403965891 540118597 /nfs/dbraw/zinc/11/85/97/540118597.db2.gz OKAUKGXEXYUGJS-MJBXVCDLSA-N 1 0 255.402 2.427 10 0 CEAERO [NH3+]CC[C@H]1CCC[C@@H](C(F)(F)F)N1C(=O)C1CC1 ZINC000675072478 540113970 /nfs/dbraw/zinc/11/39/70/540113970.db2.gz CVFFWJKSQWDNSD-ZJUUUORDSA-N 1 0 264.291 2.057 10 0 CEAERO COc1ccccc1N(C)C(=O)C1CCC([NH3+])CC1 ZINC000258872519 540117436 /nfs/dbraw/zinc/11/74/36/540117436.db2.gz SSZLYDJIERXFSS-UHFFFAOYSA-N 1 0 262.353 2.176 10 0 CEAERO O[C@H]1CCC[C@@H](C[N@@H+]2CCC3(C2)CCOCC3)C1 ZINC000380884862 540136337 /nfs/dbraw/zinc/13/63/37/540136337.db2.gz FPRCYUXUYOMIPA-KGLIPLIRSA-N 1 0 253.386 2.040 10 0 CEAERO C[C@@H]1CCN(c2nnc(C(F)(F)F)s2)[C@H](C[NH3+])C1 ZINC000261548811 540148565 /nfs/dbraw/zinc/14/85/65/540148565.db2.gz FEPFLLXRRZJRPV-RQJHMYQMSA-N 1 0 280.319 2.121 10 0 CEAERO C[C@@H](CN1C(=O)c2ccccc2C1=O)[C@H]1CCCC[NH2+]1 ZINC000575524827 366292252 /nfs/dbraw/zinc/29/22/52/366292252.db2.gz FVVKCKKLEJTFCM-SMDDNHRTSA-N 1 0 272.348 2.061 10 0 CEAERO C[C@@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)[NH2+]CCS2 ZINC000575511555 366293126 /nfs/dbraw/zinc/29/31/26/366293126.db2.gz FWZMUZXZIWTLMY-ZWNOBZJWSA-N 1 0 272.414 2.439 10 0 CEAERO O[C@@H](c1ccsc1Br)[C@@H]1CCC[NH2+]1 ZINC000575541350 366294898 /nfs/dbraw/zinc/29/48/98/366294898.db2.gz FLFUTBCSAOYIAN-YUMQZZPRSA-N 1 0 262.172 2.296 10 0 CEAERO COc1cc(C[NH2+][C@@H](C)[C@H]2CCCO2)cc2c1OCO2 ZINC000075782796 363489454 /nfs/dbraw/zinc/48/94/54/363489454.db2.gz CVFJPGCHJBENBA-CMPLNLGQSA-N 1 0 279.336 2.081 10 0 CEAERO CC[C@@H](O)C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000076074673 363518127 /nfs/dbraw/zinc/51/81/27/363518127.db2.gz MDDSAKCVUUCIQG-XHSDSOJGSA-N 1 0 263.381 2.345 10 0 CEAERO Brc1cncc(CN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000134622387 366347422 /nfs/dbraw/zinc/34/74/22/366347422.db2.gz XTLCJMNIKZINJY-CYBMUJFWSA-N 1 0 296.212 2.124 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)C(C)(C)c2cccc(F)c2)C1 ZINC000134795876 366361975 /nfs/dbraw/zinc/36/19/75/366361975.db2.gz TWZUDJIIUVKDDN-AWEZNQCLSA-N 1 0 278.371 2.266 10 0 CEAERO C[C@@H]1CC[C@@H]([NH+]2CCC(C3N=NC(=O)O3)CC2)C1 ZINC000336267037 213104437 /nfs/dbraw/zinc/10/44/37/213104437.db2.gz XZMRRTFRAMERGG-MWLCHTKSSA-N 1 0 251.330 2.143 10 0 CEAERO Cc1ncsc1C[N@H+](C)C[C@H]1CCC[C@@H](O)C1 ZINC000310095952 540335953 /nfs/dbraw/zinc/33/59/53/540335953.db2.gz AKILKTVYVLHLIM-NWDGAFQWSA-N 1 0 254.399 2.434 10 0 CEAERO CCN1CC[C@@H]([NH2+]C[C@@H]2CCOc3ccccc32)C1 ZINC000389469474 540357857 /nfs/dbraw/zinc/35/78/57/540357857.db2.gz UOVICICTWURXSE-UONOGXRCSA-N 1 0 260.381 2.237 10 0 CEAERO Cc1cccc(OCCN(C)C(=O)[C@]2(C)CCCC[NH2+]2)c1 ZINC000136149586 366498823 /nfs/dbraw/zinc/49/88/23/366498823.db2.gz LQMVSDYVGNJKCN-KRWDZBQOSA-N 1 0 290.407 2.364 10 0 CEAERO CC(C)(C)c1ncc(C[NH2+]C[C@@H]2CCC[C@@H]2O)cn1 ZINC000311535745 540457411 /nfs/dbraw/zinc/45/74/11/540457411.db2.gz HVPNIGJCIAMCCJ-STQMWFEESA-N 1 0 263.385 2.025 10 0 CEAERO [NH3+][C@H]1CCC[C@@H](C(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000218900291 540463675 /nfs/dbraw/zinc/46/36/75/540463675.db2.gz PUTBJTCBVQUENW-MXWKQRLJSA-N 1 0 278.318 2.305 10 0 CEAERO C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)C(=O)Nc1ccccc1 ZINC000667859525 540524392 /nfs/dbraw/zinc/52/43/92/540524392.db2.gz RJHWBSTYWFMUSN-CQDKDKBSSA-N 1 0 274.364 2.171 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc2ccccc2c1O ZINC000044541401 283458095 /nfs/dbraw/zinc/45/80/95/283458095.db2.gz UYRZIZOHAJTCCL-ZDUSSCGKSA-N 1 0 284.359 2.499 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc2ncccc2c1 ZINC000061883778 283478041 /nfs/dbraw/zinc/47/80/41/283478041.db2.gz DSPRPPKTHVOCCF-ZFWWWQNUSA-N 1 0 269.348 2.092 10 0 CEAERO Cc1ccc([C@H]2C[NH2+]C[C@@]2(C)N)cc1Br ZINC000685965574 540664111 /nfs/dbraw/zinc/66/41/11/540664111.db2.gz JWYXLPAMSBTHSV-ZYHUDNBSSA-N 1 0 269.186 2.162 10 0 CEAERO Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@H]2CC[C@H](C)O2)o1 ZINC000151040889 366615375 /nfs/dbraw/zinc/61/53/75/366615375.db2.gz QWEVEFLSEOLEEZ-DZGCQCFKSA-N 1 0 294.395 2.046 10 0 CEAERO COc1ccc([C@@H](C)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000151326385 366639152 /nfs/dbraw/zinc/63/91/52/366639152.db2.gz OBTRYZOVBICLJP-GDBMZVCRSA-N 1 0 292.423 2.193 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccccc1 ZINC000177025005 189021706 /nfs/dbraw/zinc/02/17/06/189021706.db2.gz ACNMAGWLASXYCK-OAHLLOKOSA-N 1 0 275.396 2.312 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cnn(C(C)(C)C)c1 ZINC000177040055 189023471 /nfs/dbraw/zinc/02/34/71/189023471.db2.gz CFBGYTUSQOZXTI-AWEZNQCLSA-N 1 0 292.427 2.194 10 0 CEAERO C[C@@H]1C[N@H+](Cc2ccccc2Cl)C[C@@H]1N1CCOCC1 ZINC000177250066 189039357 /nfs/dbraw/zinc/03/93/57/189039357.db2.gz OQLWJOLALBLTJD-CJNGLKHVSA-N 1 0 294.826 2.493 10 0 CEAERO CCOC(=O)CCC[NH2+][C@H](C)c1csc(C)n1 ZINC000081549713 363728817 /nfs/dbraw/zinc/72/88/17/363728817.db2.gz WAGSKPWNZBWQLY-SECBINFHSA-N 1 0 256.371 2.445 10 0 CEAERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)CS(C)(=O)=O ZINC000081899011 363744137 /nfs/dbraw/zinc/74/41/37/363744137.db2.gz KABJRTRDALLFHL-RYUDHWBXSA-N 1 0 255.383 2.079 10 0 CEAERO CCC[C@H](C(=O)N(C)Cc1ccccc1OC)[NH+](C)C ZINC000179105246 189170275 /nfs/dbraw/zinc/17/02/75/189170275.db2.gz IFSMDDGDBAKNPH-CQSZACIVSA-N 1 0 278.396 2.384 10 0 CEAERO CCC[C@H](C(=O)N(C)Cc1scnc1C)[NH+](C)C ZINC000179251588 189180512 /nfs/dbraw/zinc/18/05/12/189180512.db2.gz HCDXLFAJTOJIGX-LLVKDONJSA-N 1 0 269.414 2.140 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)c2cnc3ccc(F)cc3c2)C1 ZINC000179321642 189185903 /nfs/dbraw/zinc/18/59/03/189185903.db2.gz QOTDAGLEPWFKKU-AWEZNQCLSA-N 1 0 287.338 2.150 10 0 CEAERO C[C@@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1c(F)cccc1F ZINC000179410424 189192195 /nfs/dbraw/zinc/19/21/95/189192195.db2.gz YRRPKYWIZKWDGU-VXGBXAGGSA-N 1 0 294.345 2.375 10 0 CEAERO CCC[C@@H](C(=O)N[C@H](C)COCc1ccccc1)[NH+](C)C ZINC000179468282 189196062 /nfs/dbraw/zinc/19/60/62/189196062.db2.gz FFVCULVUHKVJLN-ZBFHGGJFSA-N 1 0 292.423 2.438 10 0 CEAERO CCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCNC2=O)cc1 ZINC000676234677 540907726 /nfs/dbraw/zinc/90/77/26/540907726.db2.gz JDWDPYQJRCSVBR-BXUZGUMPSA-N 1 0 262.353 2.015 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cccc2nccn21 ZINC000180161857 189240615 /nfs/dbraw/zinc/24/06/15/189240615.db2.gz AAUCZXPPEJPXAY-CQSZACIVSA-N 1 0 272.396 2.250 10 0 CEAERO CC[C@@H](C(=O)N1CC[C@H]([NH+](C)C)C1)c1ccc(OC)cc1 ZINC000180335030 189250528 /nfs/dbraw/zinc/25/05/28/189250528.db2.gz RKVDAHUFMVMBBE-GOEBONIOSA-N 1 0 290.407 2.351 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cc1ccc(C)c(O)c1 ZINC000180348281 189250891 /nfs/dbraw/zinc/25/08/91/189250891.db2.gz AYCUIICUAYHXMC-HNNXBMFYSA-N 1 0 290.407 2.186 10 0 CEAERO CC[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(OC)cc1 ZINC000180582365 189263467 /nfs/dbraw/zinc/26/34/67/189263467.db2.gz JIGYDBJYZQRUQR-HIFRSBDPSA-N 1 0 286.379 2.342 10 0 CEAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H](C)c1ccccn1)CC2 ZINC000180504980 189259399 /nfs/dbraw/zinc/25/93/99/189259399.db2.gz CDGCGAQYDQBHPM-QWHCGFSZSA-N 1 0 285.395 2.462 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)N[C@](C)(CC)c1nccs1 ZINC000237005932 370676800 /nfs/dbraw/zinc/67/68/00/370676800.db2.gz OMMPQGDUHSSAMU-BXKDBHETSA-N 1 0 255.387 2.012 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1csnc1C ZINC000182104848 189314156 /nfs/dbraw/zinc/31/41/56/189314156.db2.gz MWOKRDMWMXNZFX-LLVKDONJSA-N 1 0 267.398 2.008 10 0 CEAERO Cc1ccc(NC(=O)[C@H](C)[NH3+])c(Br)c1 ZINC000011958058 361369799 /nfs/dbraw/zinc/36/97/99/361369799.db2.gz FCLLOQWKZKYAAG-ZETCQYMHSA-N 1 0 257.131 2.043 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccnc(Cl)c1 ZINC000083550440 363779759 /nfs/dbraw/zinc/77/97/59/363779759.db2.gz GPPOUABGBNWIOA-ZYHUDNBSSA-N 1 0 279.771 2.044 10 0 CEAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1cccc(Cl)n1 ZINC000083704020 363783738 /nfs/dbraw/zinc/78/37/38/363783738.db2.gz CNFWLZHZFAGQHJ-NWDGAFQWSA-N 1 0 293.798 2.434 10 0 CEAERO Cc1cc(NCc2ncnn2C)c2cc(F)ccc2[nH+]1 ZINC000301646958 201113113 /nfs/dbraw/zinc/11/31/13/201113113.db2.gz DIRQUFWKIOXKPL-UHFFFAOYSA-N 1 0 271.299 2.423 10 0 CEAERO Cc1cc(NCCc2ncnn2C)c2cc(F)ccc2[nH+]1 ZINC000301669190 201126960 /nfs/dbraw/zinc/12/69/60/201126960.db2.gz NAQPUGGPCMYZCR-UHFFFAOYSA-N 1 0 285.326 2.465 10 0 CEAERO O=C1c2ccc(O)cc2[C@@]23CCCC[C@H]2[C@@H]1[NH2+]CC3 ZINC000013532250 361430391 /nfs/dbraw/zinc/43/03/91/361430391.db2.gz QPSFDJPYIFLKBV-DUVNUKRYSA-N 1 0 257.333 2.378 10 0 CEAERO Nc1nc(N)c(NCc2ccc3ccccc3c2)c[nH+]1 ZINC000013532455 361430481 /nfs/dbraw/zinc/43/04/81/361430481.db2.gz HRLYBHOTSOETTC-UHFFFAOYSA-N 1 0 265.320 2.406 10 0 CEAERO Cc1ccc(NC(=O)CN2CC[N@@H+]3CCC[C@@H]3C2)cc1C ZINC000023249651 361596320 /nfs/dbraw/zinc/59/63/20/361596320.db2.gz OAMJRXWMDBSBFU-MRXNPFEDSA-N 1 0 287.407 2.022 10 0 CEAERO CC/C=C/CC[N@@H+]1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000184527976 189388179 /nfs/dbraw/zinc/38/81/79/189388179.db2.gz ZWKCIXHEYNWQBO-MBVDDHJVSA-N 1 0 263.385 2.249 10 0 CEAERO CC1(C)[C@H]([NH2+]CC2(O)CCSCC2)[C@@H]2CCCO[C@H]21 ZINC000678925133 541191430 /nfs/dbraw/zinc/19/14/30/541191430.db2.gz LCWYDIFBXMNBAP-YNEHKIRRSA-N 1 0 285.453 2.038 10 0 CEAERO CC[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(F)cc1 ZINC000084222108 363803503 /nfs/dbraw/zinc/80/35/03/363803503.db2.gz XTRWKWNANKEGMI-CABCVRRESA-N 1 0 266.360 2.197 10 0 CEAERO [NH3+][C@H]1CC[C@@H](C(=O)NCc2ccc(Cl)s2)C1 ZINC000085013602 363828651 /nfs/dbraw/zinc/82/86/51/363828651.db2.gz KGPFRZOQAFOXFO-SFYZADRCSA-N 1 0 258.774 2.145 10 0 CEAERO C[NH2+]CC1CCN(c2nc(C(C)C)ns2)CC1 ZINC000087642575 363865119 /nfs/dbraw/zinc/86/51/19/363865119.db2.gz YAOGNMACCZOIQL-UHFFFAOYSA-N 1 0 254.403 2.097 10 0 CEAERO [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000087769825 363869504 /nfs/dbraw/zinc/86/95/04/363869504.db2.gz RNHDSWCNCNGIJO-OAGGEKHMSA-N 1 0 272.392 2.348 10 0 CEAERO C[NH2+][C@H](CN1CCOCC1)c1ccc(Br)cc1 ZINC000088241054 363885951 /nfs/dbraw/zinc/88/59/51/363885951.db2.gz JKTRQBQJXCVLAA-CYBMUJFWSA-N 1 0 299.212 2.042 10 0 CEAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000089151268 363938645 /nfs/dbraw/zinc/93/86/45/363938645.db2.gz CWRVCGQEFJQSLM-GDBMZVCRSA-N 1 0 271.364 2.123 10 0 CEAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000089164196 363943633 /nfs/dbraw/zinc/94/36/33/363943633.db2.gz MEODKCARPVBHJZ-IRXDYDNUSA-N 1 0 285.391 2.182 10 0 CEAERO COc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000089164821 363944284 /nfs/dbraw/zinc/94/42/84/363944284.db2.gz FTXYEXMZCLJODL-QEJZJMRPSA-N 1 0 263.381 2.377 10 0 CEAERO CCn1c(C[NH2+]C[C@@H]2CCC[C@@H]2O)nc2ccccc21 ZINC000089165045 363944563 /nfs/dbraw/zinc/94/45/63/363944563.db2.gz XISMOAJHCUIGME-WFASDCNBSA-N 1 0 273.380 2.307 10 0 CEAERO C[C@@H](CN1CCOCC1)[NH2+]CC1CCC(C)CC1 ZINC000089575790 363979393 /nfs/dbraw/zinc/97/93/93/363979393.db2.gz JDSGQWNNTGSKRP-SLTAFYQDSA-N 1 0 254.418 2.123 10 0 CEAERO C[C@@H]1CN(C(=O)c2cccc3[nH]ccc32)C[C@H]1[NH+](C)C ZINC000093295304 364158618 /nfs/dbraw/zinc/15/86/18/364158618.db2.gz IEUQRSJCWUNZKC-IAQYHMDHSA-N 1 0 271.364 2.190 10 0 CEAERO COc1c(C[N@@H+]2CC[C@@H](C)[C@H](C)C2)c(C)nn1C ZINC000093480900 364189586 /nfs/dbraw/zinc/18/95/86/364189586.db2.gz LCSLJTOOMKDJNB-GHMZBOCLSA-N 1 0 251.374 2.215 10 0 CEAERO [NH3+]CCCOC1CCN(c2ncnc3ccsc32)CC1 ZINC000094073155 364250444 /nfs/dbraw/zinc/25/04/44/364250444.db2.gz FOBBFOPWUPRZQH-UHFFFAOYSA-N 1 0 292.408 2.026 10 0 CEAERO C[C@@H](OCc1ccccc1)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638819064 370774661 /nfs/dbraw/zinc/77/46/61/370774661.db2.gz RTQZIQNVENMORL-ZBFHGGJFSA-N 1 0 290.407 2.322 10 0 CEAERO CSc1nccc(SC[C@@H]2CCC[NH2+]C2)n1 ZINC000095071820 364332236 /nfs/dbraw/zinc/33/22/36/364332236.db2.gz BFIQGQYIFBBYBG-SECBINFHSA-N 1 0 255.412 2.290 10 0 CEAERO CSc1nc(Cl)cc(OC[C@@H]2CCC[NH2+]C2)n1 ZINC000095071785 364332302 /nfs/dbraw/zinc/33/23/02/364332302.db2.gz MSYIXHLJWKMZKS-MRVPVSSYSA-N 1 0 273.789 2.230 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H](CCO)[NH2+]C2CC2)C1 ZINC000095084710 364335684 /nfs/dbraw/zinc/33/56/84/364335684.db2.gz PSGLTJIXVJZIHG-TZMCWYRMSA-N 1 0 298.427 2.137 10 0 CEAERO C[C@@H]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000094647846 364285806 /nfs/dbraw/zinc/28/58/06/364285806.db2.gz ILWZCMYZUQEODZ-YIYPIFLZSA-N 1 0 252.402 2.317 10 0 CEAERO CCCn1ccnc1CNc1nc(N)[nH+]c(CC)c1C ZINC000095388183 364355087 /nfs/dbraw/zinc/35/50/87/364355087.db2.gz ZISPCSFUYTXTKI-UHFFFAOYSA-N 1 0 274.372 2.148 10 0 CEAERO [NH3+][C@@H]1CN(C(=O)Oc2ccccc2)CC12CCCC2 ZINC000098090090 364530614 /nfs/dbraw/zinc/53/06/14/364530614.db2.gz OKDAPKXLHRKQEX-CYBMUJFWSA-N 1 0 260.337 2.389 10 0 CEAERO Cc1csc(NC(=O)[C@H]2CC[C@H](C[NH3+])CC2)n1 ZINC000100209448 364541457 /nfs/dbraw/zinc/54/14/57/364541457.db2.gz CQDCSWDBTLWSRG-AOOOYVTPSA-N 1 0 253.371 2.155 10 0 CEAERO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](OC(=O)Cc1ccccc1)C2 ZINC000103590650 364665315 /nfs/dbraw/zinc/66/53/15/364665315.db2.gz DCINQANYMBYYCH-QDMKHBRRSA-N 1 0 259.349 2.398 10 0 in-vitro CEAERO C[C@H]([NH3+])[C@H]1CCCN(c2cnc3ccccc3n2)C1 ZINC000111715857 364756135 /nfs/dbraw/zinc/75/61/35/364756135.db2.gz SDATYBDIBFSIAL-RYUDHWBXSA-N 1 0 256.353 2.193 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)NC[C@H]2CCc3ccccc32)C1 ZINC000111879880 364766281 /nfs/dbraw/zinc/76/62/81/364766281.db2.gz BNIMIIOLGBDWGV-HUUCEWRRSA-N 1 0 287.407 2.062 10 0 CEAERO C[C@H](N[C@@H](C[NH+](C)C)c1ccccc1)c1ccnn1C ZINC000192246499 299348938 /nfs/dbraw/zinc/34/89/38/299348938.db2.gz HGNCJZKUANAEEI-ZFWWWQNUSA-N 1 0 272.396 2.374 10 0 CEAERO CC(C)CCO[C@H](C)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113222687 364876642 /nfs/dbraw/zinc/87/66/42/364876642.db2.gz GEMARPWYVSFXTA-RRFJBIMHSA-N 1 0 282.428 2.133 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCOc1cccc(F)c1 ZINC000113268565 364880424 /nfs/dbraw/zinc/88/04/24/364880424.db2.gz XHYXDBPGQVPPPX-UKRRQHHQSA-N 1 0 278.371 2.373 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCOc1cccc(F)c1 ZINC000113268567 364880892 /nfs/dbraw/zinc/88/08/92/364880892.db2.gz XHYXDBPGQVPPPX-DZGCQCFKSA-N 1 0 278.371 2.373 10 0 CEAERO CCCC[NH2+]Cc1c(C(C)C)nn(C)c1N1CCOCC1 ZINC000113311662 364887066 /nfs/dbraw/zinc/88/70/66/364887066.db2.gz BSZXDCGIJQAPPR-UHFFFAOYSA-N 1 0 294.443 2.270 10 0 CEAERO Cc1ccccc1CNC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113581437 364904822 /nfs/dbraw/zinc/90/48/22/364904822.db2.gz FIZVVXJMKCHINN-GOEBONIOSA-N 1 0 287.407 2.373 10 0 CEAERO Cc1ccccc1CNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000113581436 364905250 /nfs/dbraw/zinc/90/52/50/364905250.db2.gz FIZVVXJMKCHINN-HOCLYGCPSA-N 1 0 287.407 2.373 10 0 CEAERO O=C(C[C@H]1CC[NH2+]C1)N1CCCC[C@H]1c1nccs1 ZINC000335789026 364985207 /nfs/dbraw/zinc/98/52/07/364985207.db2.gz KJKMFYKIXQZIGT-NEPJUHHUSA-N 1 0 279.409 2.196 10 0 CEAERO COc1ccc(CC[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)cc1 ZINC000116316438 365050154 /nfs/dbraw/zinc/05/01/54/365050154.db2.gz KWDXNGGVIKDBPY-OAHLLOKOSA-N 1 0 285.391 2.461 10 0 CEAERO Cn1cc([C@H]2CC[N@H+](CCOc3ccccc3)C2)cn1 ZINC000116320364 365051898 /nfs/dbraw/zinc/05/18/98/365051898.db2.gz BRUYAMPQZPMLAV-AWEZNQCLSA-N 1 0 271.364 2.288 10 0 CEAERO CCCCCC[C@H](C)NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117024011 365089510 /nfs/dbraw/zinc/08/95/10/365089510.db2.gz RLRLFSHNHFRUKI-LSDHHAIUSA-N 1 0 299.459 2.317 10 0 CEAERO COCCCC[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000117876704 365129454 /nfs/dbraw/zinc/12/94/54/365129454.db2.gz HGFZMDIARAPNSV-AWEZNQCLSA-N 1 0 263.385 2.242 10 0 CEAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCc1ccccn1 ZINC000245201922 370805682 /nfs/dbraw/zinc/80/56/82/370805682.db2.gz VSCMHJMSXDNZEB-IMJJTQAJSA-N 1 0 288.391 2.430 10 0 CEAERO CCN(C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC)C(C)C ZINC000119056594 365208853 /nfs/dbraw/zinc/20/88/53/365208853.db2.gz ALAKDMIHWYPBRA-ZDUSSCGKSA-N 1 0 255.406 2.253 10 0 CEAERO CC(=O)c1ccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1C ZINC000119451649 365274437 /nfs/dbraw/zinc/27/44/37/365274437.db2.gz AXGHPZNDLOWGLX-CQSZACIVSA-N 1 0 289.379 2.365 10 0 CEAERO CCc1noc([C@@H](C)N2CC[NH+](C[C@@H](C)CC)CC2)n1 ZINC000120502135 365433664 /nfs/dbraw/zinc/43/36/64/365433664.db2.gz ZQQOEYVYFMTHSR-QWHCGFSZSA-N 1 0 280.416 2.357 10 0 CEAERO OCCCCC[N@@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000121038066 365515720 /nfs/dbraw/zinc/51/57/20/365515720.db2.gz IZRBAHBBVKZIOM-WFASDCNBSA-N 1 0 285.334 2.235 10 0 CEAERO CCC[C@H](CCO)C[NH2+][C@@H]1C[C@H](OCC)C12CCOCC2 ZINC000186366211 283878256 /nfs/dbraw/zinc/87/82/56/283878256.db2.gz YTKLXUFKWVCIIT-OAGGEKHMSA-N 1 0 299.455 2.349 10 0 CEAERO CCOCCN1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000120957348 365502319 /nfs/dbraw/zinc/50/23/19/365502319.db2.gz RJENFTZENPPJLU-SMDDNHRTSA-N 1 0 271.307 2.109 10 0 CEAERO CC[C@@H]1CN(Cc2ccc(OC)cc2)CC[N@@H+]1CCOC ZINC000120960061 365502489 /nfs/dbraw/zinc/50/24/89/365502489.db2.gz UDFTXTDJWVKTSU-MRXNPFEDSA-N 1 0 292.423 2.238 10 0 CEAERO CCOCC[N@@H+]1CCN(Cc2cncs2)C[C@H]1CC ZINC000120986730 365506934 /nfs/dbraw/zinc/50/69/34/365506934.db2.gz YVHPQQQOWKHPJY-CYBMUJFWSA-N 1 0 283.441 2.076 10 0 CEAERO CCC[C@H](C(=O)NCCc1cc(F)cc(F)c1)[NH+](C)C ZINC000161873359 367118054 /nfs/dbraw/zinc/11/80/54/367118054.db2.gz CJMOKVNRROEIGS-CQSZACIVSA-N 1 0 284.350 2.354 10 0 CEAERO O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000161935410 367123512 /nfs/dbraw/zinc/12/35/12/367123512.db2.gz VZJWYICJGBQKAV-NEPJUHHUSA-N 1 0 286.297 2.028 10 0 CEAERO CCCC[C@H](COC)NC(=O)[C@@H](CCC)[NH+](C)C ZINC000161954445 367124873 /nfs/dbraw/zinc/12/48/73/367124873.db2.gz YBHDSCJORQDMHV-CHWSQXEVSA-N 1 0 258.406 2.038 10 0 CEAERO CCC[C@@H](C(=O)Nc1nnc(CC(C)C)s1)[NH+](C)C ZINC000161711607 367107538 /nfs/dbraw/zinc/10/75/38/367107538.db2.gz REKRBLNVEQFZJS-JTQLQIEISA-N 1 0 284.429 2.405 10 0 CEAERO Cc1noc(C)c1[C@H](C)CC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000245539043 370834976 /nfs/dbraw/zinc/83/49/76/370834976.db2.gz JILOEZTWGXGTFQ-RISCZKNCSA-N 1 0 291.395 2.092 10 0 CEAERO CSc1ccccc1C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638884868 370819239 /nfs/dbraw/zinc/81/92/39/370819239.db2.gz GJBPMLCCZZYXGF-MNOVXSKESA-N 1 0 264.394 2.075 10 0 CEAERO Cc1ccccc1SCC(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638884982 370819617 /nfs/dbraw/zinc/81/96/17/370819617.db2.gz LHFVOZDNBALTRU-CHWSQXEVSA-N 1 0 278.421 2.140 10 0 CEAERO C[C@H]1CN(C(=O)c2ccccc2Cl)C[C@H]1C[NH3+] ZINC000638886329 370820582 /nfs/dbraw/zinc/82/05/82/370820582.db2.gz QGQMZIPQRZHHDX-VHSXEESVSA-N 1 0 252.745 2.007 10 0 CEAERO C[C@@H]1CN(C(=O)CCCc2ccccc2)C[C@@H]1C[NH3+] ZINC000638887622 370822163 /nfs/dbraw/zinc/82/21/63/370822163.db2.gz LOVYZQVUXHSSJK-HIFRSBDPSA-N 1 0 260.381 2.063 10 0 CEAERO 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283.460 2.096 10 0 CEAERO CC(C)(C)OC[C@H](O)C[NH2+][C@H](CCCO)c1ccccc1 ZINC000179758798 368350407 /nfs/dbraw/zinc/35/04/07/368350407.db2.gz GOUCGRVZLHTVIQ-HZPDHXFCSA-N 1 0 295.423 2.266 10 0 CEAERO CCCS(=O)(=O)CC[NH2+][C@@H](C)c1ccccc1C ZINC000181562796 368470343 /nfs/dbraw/zinc/47/03/43/368470343.db2.gz GHCKDCKAXIDIHE-ZDUSSCGKSA-N 1 0 269.410 2.470 10 0 CEAERO COC[C@@H]([NH2+]C[C@@H](O)COC(C)(C)C)c1ccccc1 ZINC000181698795 368484891 /nfs/dbraw/zinc/48/48/91/368484891.db2.gz BLNWCOZMMUHIDO-HUUCEWRRSA-N 1 0 281.396 2.140 10 0 CEAERO CC(C)CCOc1ccc([C@@H](C)[NH2+]CC(N)=O)cc1 ZINC000181732627 368489166 /nfs/dbraw/zinc/48/91/66/368489166.db2.gz PQCOYUKKGJQOIH-GFCCVEGCSA-N 1 0 264.369 2.247 10 0 CEAERO C[C@H]1CN(C(=O)C2(c3ccc(Cl)cc3)CC2)C[C@H]1[NH3+] ZINC000335485274 212160601 /nfs/dbraw/zinc/16/06/01/212160601.db2.gz ZAUSUBLSNHQFEI-GXFFZTMASA-N 1 0 278.783 2.177 10 0 CEAERO CCCc1cc(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)sc1C ZINC000335482214 212157068 /nfs/dbraw/zinc/15/70/68/212157068.db2.gz 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c1csc([C@@H]2CCCCN2CC23CC(C2)C[NH2+]3)n1 ZINC000634992417 369021009 /nfs/dbraw/zinc/02/10/09/369021009.db2.gz OKGKUFMUIQKIOM-LXVYMNJGSA-N 1 0 263.410 2.422 10 0 CEAERO CCO[C@H]1C[C@H]([NH2+]Cc2nnnn2C(C)C)C1(CC)CC ZINC000187045556 369090613 /nfs/dbraw/zinc/09/06/13/369090613.db2.gz UWRHEJKIGHJFIU-STQMWFEESA-N 1 0 295.431 2.327 10 0 CEAERO CC[C@]1(CO)CCC[N@H+](C[C@](C)(O)c2ccccc2)C1 ZINC000187551957 369177115 /nfs/dbraw/zinc/17/71/15/369177115.db2.gz OGTNSHJEPCCJRF-IRXDYDNUSA-N 1 0 277.408 2.379 10 0 CEAERO CCN(C)C(=O)[C@H](C)[NH2+]C[C@H](C)c1ccc(OC)cc1 ZINC000188896549 369425747 /nfs/dbraw/zinc/42/57/47/369425747.db2.gz OZMAAQHUOXPHIR-STQMWFEESA-N 1 0 278.396 2.255 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCSC ZINC000246421175 370959739 /nfs/dbraw/zinc/95/97/39/370959739.db2.gz SMQQVXZUBHKLKK-OLZOCXBDSA-N 1 0 285.457 2.008 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nccn1C(F)F ZINC000246374848 370952185 /nfs/dbraw/zinc/95/21/85/370952185.db2.gz YUFMIWCGJGYQTP-RYUDHWBXSA-N 1 0 284.354 2.337 10 0 CEAERO COc1ccc2[nH]c(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)cc2c1 ZINC000189269945 369486652 /nfs/dbraw/zinc/48/66/52/369486652.db2.gz RXHUORZDXGIPLG-ZDUSSCGKSA-N 1 0 299.374 2.097 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(C)ccc1O ZINC000246462595 370965182 /nfs/dbraw/zinc/96/51/82/370965182.db2.gz AHWJRIDWFXOOCW-KBPBESRZSA-N 1 0 288.391 2.399 10 0 CEAERO Clc1cccc(N2CC[N@@H+]3CCCC[C@H]3C2)n1 ZINC000246467915 370965842 /nfs/dbraw/zinc/96/58/42/370965842.db2.gz KDGBIKGQWAKQQI-NSHDSACASA-N 1 0 251.761 2.410 10 0 CEAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C[C@H]1CC[C@@H](C)O1 ZINC000249077937 284163834 /nfs/dbraw/zinc/16/38/34/284163834.db2.gz MCDZTIZLYWNOKM-SEBNEYGDSA-N 1 0 281.396 2.360 10 0 CEAERO CCCC[C@H](COC)NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246665950 370991817 /nfs/dbraw/zinc/99/18/17/370991817.db2.gz BSZWBPKYDNFQIM-CABCVRRESA-N 1 0 297.443 2.071 10 0 CEAERO O[C@@H](C[N@@H+]1CCCC[C@H]1c1cn[nH]c1)CC(F)(F)F ZINC000189672300 369556929 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CCCCOC[C@H](O)C[NH2+][C@H](C)c1cccc(O)c1 ZINC000195213249 370115661 /nfs/dbraw/zinc/11/56/61/370115661.db2.gz OCBSHOCDQXTJIU-IUODEOHRSA-N 1 0 267.369 2.220 10 0 CEAERO CC[NH2+][C@H](C)C(=O)N[C@@H](C)c1cc(F)ccc1F ZINC000637919767 370171155 /nfs/dbraw/zinc/17/11/55/370171155.db2.gz UEIYCZWEFJGADR-DTWKUNHWSA-N 1 0 256.296 2.140 10 0 CEAERO CC(C)CC[C@H]([NH3+])C(=O)N[C@H]1CCOc2ccccc21 ZINC000637883333 370145391 /nfs/dbraw/zinc/14/53/91/370145391.db2.gz ONXPKBUAQXFKIZ-KBPBESRZSA-N 1 0 276.380 2.390 10 0 CEAERO C[C@@H]1Cc2cc(Cl)cc(N3CC[NH2+]CC3)c2O1 ZINC000211795779 370163459 /nfs/dbraw/zinc/16/34/59/370163459.db2.gz DKMOWZGMQOQESA-SECBINFHSA-N 1 0 252.745 2.073 10 0 CEAERO C[NH2+]C[C@H]1CCCN(c2ncnc3c(C)csc32)C1 ZINC000222330177 370253671 /nfs/dbraw/zinc/25/36/71/370253671.db2.gz UIOKWLZQUJIRRX-LLVKDONJSA-N 1 0 276.409 2.436 10 0 CEAERO [NH3+]C[C@@H](O)c1c(Cl)cccc1Br ZINC000218031644 370204138 /nfs/dbraw/zinc/20/41/38/370204138.db2.gz ASGYLANWWHOIHM-SSDOTTSWSA-N 1 0 250.523 2.095 10 0 CEAERO Cc1sc([C@@H]2C[NH2+]CCO2)cc1Br ZINC000218133728 370205022 /nfs/dbraw/zinc/20/50/22/370205022.db2.gz HFAWVIPJEHZZCN-QMMMGPOBSA-N 1 0 262.172 2.480 10 0 CEAERO CC1(C)[C@H]([NH2+]C[C@H](O)c2ccsc2)[C@@H]2CCO[C@@H]21 ZINC000224672188 370281718 /nfs/dbraw/zinc/28/17/18/370281718.db2.gz QYZQUOYREKBGSG-RVMXOQNASA-N 1 0 267.394 2.185 10 0 CEAERO [NH3+][C@@H]1CC=C(C(=O)N2CCCC[C@H]2c2nccs2)C1 ZINC000638095563 370295669 /nfs/dbraw/zinc/29/56/69/370295669.db2.gz GHRFXLULEVXBRH-NEPJUHHUSA-N 1 0 277.393 2.244 10 0 CEAERO COc1c(C[NH2+]CCSCC(F)(F)F)c(C)nn1C ZINC000354289381 370298608 /nfs/dbraw/zinc/29/86/08/370298608.db2.gz JNCXMMLZSCNKGH-UHFFFAOYSA-N 1 0 297.346 2.122 10 0 CEAERO CN(C(=O)[C@@H]1CCCC12CC2)[C@@H]1CCC[NH2+]CC1 ZINC000638191372 370366186 /nfs/dbraw/zinc/36/61/86/370366186.db2.gz AOGCSBNXLCHVTC-OLZOCXBDSA-N 1 0 250.386 2.167 10 0 CEAERO CN(C(=O)C1CCC=CCC1)[C@H]1CCC[NH2+]CC1 ZINC000638193590 370367352 /nfs/dbraw/zinc/36/73/52/370367352.db2.gz UGLJFFKVJBVFHJ-AWEZNQCLSA-N 1 0 250.386 2.333 10 0 CEAERO Cc1ccc(C(=O)CCN2C[C@@H](C)[C@@H]([NH+](C)C)C2)cc1 ZINC000226104866 370329311 /nfs/dbraw/zinc/32/93/11/370329311.db2.gz UNUOPIPOHVQPNN-ZBFHGGJFSA-N 1 0 274.408 2.450 10 0 CEAERO Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cc1C(F)(F)F ZINC000638330178 370448900 /nfs/dbraw/zinc/44/89/00/370448900.db2.gz DGVLKSLOACQSNI-BXKDBHETSA-N 1 0 286.297 2.433 10 0 CEAERO CCCCOc1ccc(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000232973246 370515494 /nfs/dbraw/zinc/51/54/94/370515494.db2.gz LLDCWHBRDYZADV-SWLSCSKDSA-N 1 0 276.380 2.285 10 0 CEAERO Cc1ccc2nc(CN(C)[C@@H]3CCC[NH2+]CC3)cn2c1 ZINC000231671035 370487194 /nfs/dbraw/zinc/48/71/94/370487194.db2.gz OTEKOVHURQEURG-OAHLLOKOSA-N 1 0 272.396 2.217 10 0 CEAERO C[C@H]1CC(F)(F)CCN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000638628366 370642213 /nfs/dbraw/zinc/64/22/13/370642213.db2.gz AYFURZPYTPXQDQ-QWRGUYRKSA-N 1 0 260.328 2.022 10 0 CEAERO CCC[C@H]([NH3+])C(=O)NC[C@H](C)COCc1ccccc1 ZINC000236872760 370644315 /nfs/dbraw/zinc/64/43/15/370644315.db2.gz CBVAJYZQEKWMHC-ZFWWWQNUSA-N 1 0 278.396 2.083 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@@H]1CCO[C@H](C)C1 ZINC000358292735 370997517 /nfs/dbraw/zinc/99/75/17/370997517.db2.gz WIZDJMXYKMUVOP-KLHDSHLOSA-N 1 0 266.429 2.360 10 0 CEAERO CCC(CC)(C[NH3+])C(=O)Nc1nnc(C(C)C)s1 ZINC000236712889 370612776 /nfs/dbraw/zinc/61/27/76/370612776.db2.gz YWLLGOVFHVDXHA-UHFFFAOYSA-N 1 0 270.402 2.365 10 0 CEAERO COc1cc(C[NH2+]CC2C[C@@H](C)O[C@H](C)C2)sn1 ZINC000639134470 371012540 /nfs/dbraw/zinc/01/25/40/371012540.db2.gz CINVTZZPOMTXIA-NXEZZACHSA-N 1 0 270.398 2.445 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]C[C@](C)(O)C(F)(F)F)c1C ZINC000358367239 371034939 /nfs/dbraw/zinc/03/49/39/371034939.db2.gz KQXKTOPLMLLEIE-PELKAZGASA-N 1 0 293.333 2.484 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCC1CCCC1 ZINC000246961600 371037694 /nfs/dbraw/zinc/03/76/94/371037694.db2.gz DKAHCFYUMSEODQ-ZFWWWQNUSA-N 1 0 279.428 2.445 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cnc(Cl)s1 ZINC000247233102 371080615 /nfs/dbraw/zinc/08/06/15/371080615.db2.gz SHTSFNXDHZCVLX-ZJUUUORDSA-N 1 0 271.817 2.465 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)/C=C/c1cccs1 ZINC000247234458 371080823 /nfs/dbraw/zinc/08/08/23/371080823.db2.gz MUVNVTLBYVCHSF-VWWYUBIBSA-N 1 0 276.405 2.456 10 0 CEAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1ncnn1C ZINC000247267806 371085209 /nfs/dbraw/zinc/08/52/09/371085209.db2.gz ZTIBYTZXVYZIGD-AGIUHOORSA-N 1 0 250.390 2.366 10 0 CEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CCc2ccccc2)C1 ZINC000247294265 371089580 /nfs/dbraw/zinc/08/95/80/371089580.db2.gz KYJHBKZBPNZVEE-GOEBONIOSA-N 1 0 274.408 2.464 10 0 CEAERO C[C@H](c1ccc(F)cc1)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000247772601 371141193 /nfs/dbraw/zinc/14/11/93/371141193.db2.gz PQGRZUMKLXFRGY-HZSPNIEDSA-N 1 0 280.387 2.274 10 0 CEAERO CC[C@H]1CN(Cc2cc(F)ccc2F)CC[N@@H+]1C[C@H](C)O ZINC000247778643 371141451 /nfs/dbraw/zinc/14/14/51/371141451.db2.gz RJAVSRMCMHKADB-WFASDCNBSA-N 1 0 298.377 2.242 10 0 CEAERO C[C@@H]1CCC[C@@H](C(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000247446243 371109064 /nfs/dbraw/zinc/10/90/64/371109064.db2.gz PVEZGSMALRBTQV-MCIONIFRSA-N 1 0 250.386 2.119 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CC[C@H]2CC[C@@H](C)O2)C1 ZINC000247455308 371111126 /nfs/dbraw/zinc/11/11/26/371111126.db2.gz TWDAHKXDADRBSC-TUVASFSCSA-N 1 0 282.428 2.179 10 0 CEAERO CC(C)CCOCCNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247464242 371111598 /nfs/dbraw/zinc/11/15/98/371111598.db2.gz URNMNCPZQSMJGL-HUUCEWRRSA-N 1 0 299.459 2.077 10 0 CEAERO Cn1cc([C@@H]2CCC[N@@H+]2C[C@](C)(O)c2ccccc2)cn1 ZINC000247575198 371127557 /nfs/dbraw/zinc/12/75/57/371127557.db2.gz SEDGXKLXADLYML-IRXDYDNUSA-N 1 0 285.391 2.465 10 0 CEAERO O[C@H](C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1)c1ccc(F)cc1 ZINC000248202975 371169863 /nfs/dbraw/zinc/16/98/63/371169863.db2.gz ZHAJLSZUUJEVGX-UAGQMJEPSA-N 1 0 293.382 2.486 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCc1ccc(O)cc1 ZINC000248418446 371191002 /nfs/dbraw/zinc/19/10/02/371191002.db2.gz SRVSVLYEKAAWND-HIFRSBDPSA-N 1 0 288.391 2.020 10 0 CEAERO CCOC(=O)[C@H](CC(C)C)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000248451512 371197530 /nfs/dbraw/zinc/19/75/30/371197530.db2.gz YIWFYZKYKKZPFH-HIFRSBDPSA-N 1 0 293.411 2.187 10 0 CEAERO O[C@H](CN1CC[N@@H+]2CCCC[C@H]2C1)c1c(F)cccc1F ZINC000248369914 371181291 /nfs/dbraw/zinc/18/12/91/371181291.db2.gz WVAOLDARVJLQFJ-SWLSCSKDSA-N 1 0 296.361 2.168 10 0 CEAERO Cc1cc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc(Cl)n1 ZINC000248384295 371184138 /nfs/dbraw/zinc/18/41/38/371184138.db2.gz DJWANJLGOPHLQH-YPMHNXCESA-N 1 0 293.798 2.352 10 0 CEAERO CC[C@H](C)[C@@H](C)C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000248524646 371205315 /nfs/dbraw/zinc/20/53/15/371205315.db2.gz CJPRMRFBUKTHGB-SOUVJXGZSA-N 1 0 298.471 2.220 10 0 CEAERO COc1ccc(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)cc1F ZINC000234928381 189825233 /nfs/dbraw/zinc/82/52/33/189825233.db2.gz YJLGGWMAOUSNOQ-AWEZNQCLSA-N 1 0 294.370 2.342 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C3(c4ccc(F)cc4)CC3)C[C@H]12 ZINC000248563322 371213775 /nfs/dbraw/zinc/21/37/75/371213775.db2.gz BFJOPWJZDAHBIZ-BYCMXARLSA-N 1 0 288.366 2.053 10 0 CEAERO C[C@H]1CN(Cc2nc(-c3cccc(Cl)c3)no2)C[C@@H]1[NH3+] ZINC000235730473 189831049 /nfs/dbraw/zinc/83/10/49/189831049.db2.gz FSCJEWKGNPIXGG-CABZTGNLSA-N 1 0 292.770 2.169 10 0 CEAERO CC[C@](C)(O)C[N@@H+]1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000249079785 371291246 /nfs/dbraw/zinc/29/12/46/371291246.db2.gz CJUJRIUELWLBNX-HOCLYGCPSA-N 1 0 277.412 2.285 10 0 CEAERO Cn1cc([C@H]2CC[N@H+](C[C@@H](O)C3CCCCC3)C2)cn1 ZINC000249160301 371304131 /nfs/dbraw/zinc/30/41/31/371304131.db2.gz ZQXMYZUVZPKMPW-GOEBONIOSA-N 1 0 277.412 2.151 10 0 CEAERO C[C@H](CC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000249818090 371364852 /nfs/dbraw/zinc/36/48/52/371364852.db2.gz DPFPWYSGAQTMLY-ZBFHGGJFSA-N 1 0 272.392 2.487 10 0 CEAERO CC[C@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000249842890 371366702 /nfs/dbraw/zinc/36/67/02/371366702.db2.gz YRPUOMCYNKQNHC-HOTGVXAUSA-N 1 0 272.392 2.487 10 0 CEAERO CCn1cncc1C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000250330372 371382432 /nfs/dbraw/zinc/38/24/32/371382432.db2.gz DOFHJCFAGZSFRS-DZGCQCFKSA-N 1 0 263.385 2.030 10 0 CEAERO O[C@@]12CCCC[C@@H]1C[N@H+](CCOCC1CC1)CC2 ZINC000252696155 371469558 /nfs/dbraw/zinc/46/95/58/371469558.db2.gz MYPDPTJYIIAZGE-HUUCEWRRSA-N 1 0 253.386 2.040 10 0 CEAERO CC(C)c1nsc(N2CC[C@@H](C)[C@H](C[NH3+])C2)n1 ZINC000253193473 371502168 /nfs/dbraw/zinc/50/21/68/371502168.db2.gz OQPBMLATPHKDFI-NXEZZACHSA-N 1 0 254.403 2.083 10 0 CEAERO Cc1cncc(/C=C\C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000255161812 371564045 /nfs/dbraw/zinc/56/40/45/371564045.db2.gz RADLBONPJNOQPW-ZRBYZBAOSA-N 1 0 285.391 2.098 10 0 CEAERO COc1ccc(CN2C[C@H](C)[C@H]([NH3+])C2)cc1Cl ZINC000261541290 371639587 /nfs/dbraw/zinc/63/95/87/371639587.db2.gz JNVHFZWHPCRWBQ-JOYOIKCWSA-N 1 0 254.761 2.128 10 0 CEAERO [NH3+][C@@H]1CC[C@H]2CN(c3ccncc3Br)C[C@H]12 ZINC000261566411 371652241 /nfs/dbraw/zinc/65/22/41/371652241.db2.gz DMZLJCJLFLCEIT-ATZCPNFKSA-N 1 0 282.185 2.018 10 0 CEAERO C[NH2+][C@@H](C)Cc1noc([C@H]2CCCN2c2nccs2)n1 ZINC000261613566 371679687 /nfs/dbraw/zinc/67/96/87/371679687.db2.gz BALXHIAWJTYDEA-VHSXEESVSA-N 1 0 293.396 2.018 10 0 CEAERO CC(C)CCC1CCN(C(=O)[C@H]([NH3+])C2CCOCC2)CC1 ZINC000261701211 371705504 /nfs/dbraw/zinc/70/55/04/371705504.db2.gz BMHPITSWQIYKBX-MRXNPFEDSA-N 1 0 296.455 2.415 10 0 CEAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccc2c(c1)CCN2 ZINC000261830765 371745245 /nfs/dbraw/zinc/74/52/45/371745245.db2.gz BFXNBKBASCBBAT-CZUORRHYSA-N 1 0 299.418 2.353 10 0 CEAERO Fc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)c(F)c1 ZINC000261882713 371760414 /nfs/dbraw/zinc/76/04/14/371760414.db2.gz FNRFMISZRVNKRK-IMJJTQAJSA-N 1 0 296.361 2.212 10 0 CEAERO C[C@@H]1CN(Cc2ccc(OC(F)F)c(F)c2)C[C@@H]1[NH3+] ZINC000261926676 371773029 /nfs/dbraw/zinc/77/30/29/371773029.db2.gz CHQQMPPGZLVXQC-KCJUWKMLSA-N 1 0 274.286 2.206 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccnn3-c3ccccc3)C[C@@H]12 ZINC000261821309 371741104 /nfs/dbraw/zinc/74/11/04/371741104.db2.gz IKVMPMFLYWFRIL-KBRIMQKVSA-N 1 0 282.391 2.041 10 0 CEAERO CCC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)CCC1 ZINC000262010259 371799260 /nfs/dbraw/zinc/79/92/60/371799260.db2.gz VMPGSBUTZAKKGR-RBSFLKMASA-N 1 0 266.429 2.313 10 0 CEAERO C[C@]1(C[NH3+])CCN(C(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)C1 ZINC000262010170 371799273 /nfs/dbraw/zinc/79/92/73/371799273.db2.gz OBGBUBYIVATEFW-MQIPJXDCSA-N 1 0 294.345 2.266 10 0 CEAERO COC[C@@H]([NH3+])C(=O)N([C@H](C)c1ccccc1Cl)C1CC1 ZINC000262261635 371844461 /nfs/dbraw/zinc/84/44/61/371844461.db2.gz UNNQFULEGFUEST-QMTHXVAHSA-N 1 0 296.798 2.366 10 0 CEAERO COC[C@@H]([NH3+])C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000262308033 371848719 /nfs/dbraw/zinc/84/87/19/371848719.db2.gz OSUJMMWETDRUKK-LLVKDONJSA-N 1 0 290.285 2.094 10 0 CEAERO COC[C@H]([NH3+])C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000262308034 371849224 /nfs/dbraw/zinc/84/92/24/371849224.db2.gz OSUJMMWETDRUKK-NSHDSACASA-N 1 0 290.285 2.094 10 0 CEAERO COC[C@H]([NH3+])C(=O)N(CC1CCC1)[C@H](C)c1ccccc1 ZINC000262354462 371854221 /nfs/dbraw/zinc/85/42/21/371854221.db2.gz GREKZTIIYQQPTG-CJNGLKHVSA-N 1 0 290.407 2.350 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000262579764 371879068 /nfs/dbraw/zinc/87/90/68/371879068.db2.gz LLHXIRUAJJGZKQ-PWXJCGIASA-N 1 0 294.345 2.312 10 0 CEAERO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000262639562 371889664 /nfs/dbraw/zinc/88/96/64/371889664.db2.gz QVKQGZJGMSXFDZ-HWMZRRJGSA-N 1 0 296.455 2.190 10 0 CEAERO [NH3+]C1(C(=O)Nc2ccnc3ccncc32)CCCCC1 ZINC000262666660 371894810 /nfs/dbraw/zinc/89/48/10/371894810.db2.gz KHEPIPNFZXJYSQ-UHFFFAOYSA-N 1 0 270.336 2.230 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](C)CCc1ccc(C)o1 ZINC000262712830 371898375 /nfs/dbraw/zinc/89/83/75/371898375.db2.gz SDVJRZIAHCOLII-GXFFZTMASA-N 1 0 252.358 2.153 10 0 CEAERO CCNc1nc(C(=O)N(C)C[C@H]2CCC[N@@H+]2CC)cs1 ZINC000269244314 372396982 /nfs/dbraw/zinc/39/69/82/372396982.db2.gz IIFYALIGOOWZAF-LLVKDONJSA-N 1 0 296.440 2.131 10 0 CEAERO Cn1nc(CC(C)(C)C)cc1NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000237672035 189887015 /nfs/dbraw/zinc/88/70/15/189887015.db2.gz AVVKOPHUBCLKMX-NEPJUHHUSA-N 1 0 292.427 2.465 10 0 CEAERO COC1(C[N@@H+]2CCC[C@@H](Cc3noc(C)n3)C2)CCC1 ZINC000333496470 205376457 /nfs/dbraw/zinc/37/64/57/205376457.db2.gz CAGZIIAHRARNOC-ZDUSSCGKSA-N 1 0 279.384 2.202 10 0 CEAERO CC(C)CC[C@H]([NH2+]C[C@H]1CN(C)CCO1)C1CC1 ZINC000367116192 373138162 /nfs/dbraw/zinc/13/81/62/373138162.db2.gz ZSNQXVBWKLTXGS-GJZGRUSLSA-N 1 0 254.418 2.121 10 0 CEAERO Cc1cccc(C2(C(=O)N3C[C@@H](C)[C@@H]([NH3+])C3)CCC2)c1 ZINC000643600410 373212080 /nfs/dbraw/zinc/21/20/80/373212080.db2.gz PUAWUEXWSZBQNY-HIFRSBDPSA-N 1 0 272.392 2.222 10 0 CEAERO COC[C@@]1(C(=O)Nc2ccc(C)cc2Cl)CCC[NH2+]1 ZINC000643615327 373222507 /nfs/dbraw/zinc/22/25/07/373222507.db2.gz HCPZLMWTHAQQFS-CQSZACIVSA-N 1 0 282.771 2.356 10 0 CEAERO CCCCN(C(=O)[C@@H]1C[NH2+]CCOC1)c1ccccc1 ZINC000643618034 373222800 /nfs/dbraw/zinc/22/28/00/373222800.db2.gz ZJHLADARNHWDHR-CQSZACIVSA-N 1 0 276.380 2.056 10 0 CEAERO CC[C@H](NC(=O)[C@@H]1C[NH2+]CCC1(F)F)c1ccccc1 ZINC000644016980 373339935 /nfs/dbraw/zinc/33/99/35/373339935.db2.gz XYVANJDDPYHGAB-STQMWFEESA-N 1 0 282.334 2.499 10 0 CEAERO Cc1cccc(C2(C(=O)NC[C@@H]3CC[NH2+]C3)CCC2)c1 ZINC000644108659 373412020 /nfs/dbraw/zinc/41/20/20/373412020.db2.gz MUSMMPIKIQJRON-CQSZACIVSA-N 1 0 272.392 2.142 10 0 CEAERO OCCCCC[NH+]1CCC(c2nccs2)CC1 ZINC000371519350 373910365 /nfs/dbraw/zinc/91/03/65/373910365.db2.gz XXEQDCFFTBBQSL-UHFFFAOYSA-N 1 0 254.399 2.485 10 0 CEAERO C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000248991848 189956348 /nfs/dbraw/zinc/95/63/48/189956348.db2.gz HGACDIKAGISKGP-AVGNSLFASA-N 1 0 286.379 2.033 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@@H](C)c2ccc(C)cc2OC)C1 ZINC000165258055 541979959 /nfs/dbraw/zinc/97/99/59/541979959.db2.gz QBBHCEYBXBFKMS-GJZGRUSLSA-N 1 0 292.423 2.375 10 0 CEAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCCCNC2=O)CC(C)(C)C1 ZINC000252387564 189974286 /nfs/dbraw/zinc/97/42/86/189974286.db2.gz ASOFCYMQHQIHEZ-AGIUHOORSA-N 1 0 252.402 2.460 10 0 CEAERO Cc1cc([C@H](C)NC[C@H](O)C[NH+]2CCCCC2)c(C)o1 ZINC000278170895 374741811 /nfs/dbraw/zinc/74/18/11/374741811.db2.gz CKTVDBSNFVPVJF-ZFWWWQNUSA-N 1 0 280.412 2.394 10 0 CEAERO c1cnn(C2CN(c3cc[nH+]c4ccccc43)C2)c1 ZINC000377181825 374809458 /nfs/dbraw/zinc/80/94/58/374809458.db2.gz BJCFYKDKSPXGJD-UHFFFAOYSA-N 1 0 250.305 2.493 10 0 CEAERO CC1(C)[C@H]([NH2+]CCCc2nccs2)[C@@H]2CCO[C@H]21 ZINC000378451980 375102665 /nfs/dbraw/zinc/10/26/65/375102665.db2.gz FWPLPXCITZWNDL-CYZMBNFOSA-N 1 0 266.410 2.479 10 0 CEAERO COC[C@]1(CNc2nccc3ccccc32)CCC[NH2+]1 ZINC000380401908 375163496 /nfs/dbraw/zinc/16/34/96/375163496.db2.gz QVFDCXPNGFEXDW-MRXNPFEDSA-N 1 0 271.364 2.415 10 0 CEAERO C[N@H+](C[C@@H]1CCCCC1(F)F)CC1(O)CCOCC1 ZINC000381582027 375176321 /nfs/dbraw/zinc/17/63/21/375176321.db2.gz BVPKYUGCCPXHET-LBPRGKRZSA-N 1 0 277.355 2.285 10 0 CEAERO CC1(C)C[N@H+](C[C@H]2CCCCC2(F)F)C[C@H](CO)O1 ZINC000381686061 375178415 /nfs/dbraw/zinc/17/84/15/375178415.db2.gz MWSYGMKIKHLVHI-VXGBXAGGSA-N 1 0 277.355 2.284 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCCOC1CCCCC1 ZINC000384282473 375209480 /nfs/dbraw/zinc/20/94/80/375209480.db2.gz UUSJKVCQMDVDMO-ZFWWWQNUSA-N 1 0 282.428 2.230 10 0 CEAERO CC(C)(O)C[NH+]1CCN(C[C@@H]2CCCCC2(F)F)CC1 ZINC000394540687 375328901 /nfs/dbraw/zinc/32/89/01/375328901.db2.gz XZPPDGFRDFTUIB-ZDUSSCGKSA-N 1 0 290.398 2.200 10 0 CEAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccccc1OC(F)F ZINC000282320354 375456591 /nfs/dbraw/zinc/45/65/91/375456591.db2.gz KZPQFELYWJRNCI-MWLCHTKSSA-N 1 0 284.306 2.045 10 0 CEAERO C[C@@H]1CC(C[NH2+]Cc2cccc(C(N)=O)c2)C[C@@H](C)O1 ZINC000282389463 375473626 /nfs/dbraw/zinc/47/36/26/375473626.db2.gz XVLQZZRWOZYGQY-VXGBXAGGSA-N 1 0 276.380 2.079 10 0 CEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@H]1CCSc2ccccc21 ZINC000282507659 375502102 /nfs/dbraw/zinc/50/21/02/375502102.db2.gz YPNXEUGDBJVSJM-DRZSPHRISA-N 1 0 276.405 2.480 10 0 CEAERO Cc1n[nH]cc1C[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC000282595256 375526853 /nfs/dbraw/zinc/52/68/53/375526853.db2.gz CNZKQWPNEUHOPT-JTQLQIEISA-N 1 0 282.388 2.063 10 0 CEAERO CCn1cc(C[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)cn1 ZINC000282929122 375616712 /nfs/dbraw/zinc/61/67/12/375616712.db2.gz WLESUXJNNUPXFG-LBPRGKRZSA-N 1 0 296.415 2.248 10 0 CEAERO Cc1n[nH]c(C)c1C[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC000282935239 375617269 /nfs/dbraw/zinc/61/72/69/375617269.db2.gz WVYCCRLLLCWPTR-JTQLQIEISA-N 1 0 296.415 2.372 10 0 CEAERO CC(C)(C)c1ncc(C[NH2+]C[C@@H](O)C(C)(C)C)cn1 ZINC000284178565 375822739 /nfs/dbraw/zinc/82/27/39/375822739.db2.gz AIMLWOXMIFNDPK-GFCCVEGCSA-N 1 0 265.401 2.271 10 0 CEAERO C[C@@H]1C[C@@H]1[NH2+]Cc1ncc(I)s1 ZINC000286578433 376001595 /nfs/dbraw/zinc/00/15/95/376001595.db2.gz QAMZIQGBACTPLY-RITPCOANSA-N 1 0 294.161 2.246 10 0 CEAERO Cc1cc(N[C@H](C)[C@H](C)[NH3+])cnc1Br ZINC000307332010 376563350 /nfs/dbraw/zinc/56/33/50/376563350.db2.gz KNKYAGWBZMPLJX-JGVFFNPUSA-N 1 0 258.163 2.300 10 0 CEAERO COC(=O)c1cccnc1C[N@@H+]1CCC[C@H](C)CC1 ZINC000305899969 376530979 /nfs/dbraw/zinc/53/09/79/376530979.db2.gz AGPZLZANDASTKC-LBPRGKRZSA-N 1 0 262.353 2.490 10 0 CEAERO CC(C)([NH3+])c1cn(CCc2ccc(Cl)cc2)nn1 ZINC000308447559 376579809 /nfs/dbraw/zinc/57/98/09/376579809.db2.gz ACKCRZIEKKLQNV-UHFFFAOYSA-N 1 0 264.760 2.368 10 0 CEAERO COC1(CCN2CC[N@@H+]3CCCC[C@H]3C2)CCC1 ZINC000310870136 376639351 /nfs/dbraw/zinc/63/93/51/376639351.db2.gz POFQGOPDQOMOKH-AWEZNQCLSA-N 1 0 252.402 2.116 10 0 CEAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000324311489 376839884 /nfs/dbraw/zinc/83/98/84/376839884.db2.gz ZLNBIWCCGVFFDH-GJZGRUSLSA-N 1 0 263.381 2.297 10 0 CEAERO C[C@@H](CN[C@H]1CC[NH2+]C1)Oc1cccc(Cl)c1 ZINC000422922639 376863859 /nfs/dbraw/zinc/86/38/59/376863859.db2.gz QJPUOPMJBOVFBD-JQWIXIFHSA-N 1 0 254.761 2.059 10 0 CEAERO CC[N@H+](C[C@H](C)OC)C[C@@](C)(O)c1ccccc1 ZINC000291357490 377188038 /nfs/dbraw/zinc/18/80/38/377188038.db2.gz YNFWQFLZQFEAKX-DZGCQCFKSA-N 1 0 251.370 2.251 10 0 CEAERO C[C@H](C(=O)Nc1ccccn1)[C@@H]([NH3+])c1ccccc1 ZINC000131611482 249316264 /nfs/dbraw/zinc/31/62/64/249316264.db2.gz HMBRYFWVNJHYJM-SMDDNHRTSA-N 1 0 255.321 2.356 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CCc1cccc(C)n1 ZINC000566852789 377776497 /nfs/dbraw/zinc/77/64/97/377776497.db2.gz QBWHXTUSFHGZIM-IRXDYDNUSA-N 1 0 273.424 2.491 10 0 CEAERO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc(O)ccc3F)C2)C1 ZINC000295685290 378264395 /nfs/dbraw/zinc/26/43/95/378264395.db2.gz VYOCSQWCBSOROY-MRXNPFEDSA-N 1 0 292.354 2.089 10 0 CEAERO Cc1ncc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)s1 ZINC000177101906 542243766 /nfs/dbraw/zinc/24/37/66/542243766.db2.gz GKPYPDGDAADYQN-GFCCVEGCSA-N 1 0 262.382 2.313 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@H]1CCSC1 ZINC000300272046 379159679 /nfs/dbraw/zinc/15/96/79/379159679.db2.gz ZXVHTFQROXVWQD-MCIONIFRSA-N 1 0 254.443 2.298 10 0 CEAERO CCC[N@@H+]1CCCN(c2ncncc2Cl)CC1 ZINC000302652793 379415180 /nfs/dbraw/zinc/41/51/80/379415180.db2.gz NKGJKCFKDUTRPZ-UHFFFAOYSA-N 1 0 254.765 2.052 10 0 CEAERO [NH3+]C[C@H]1CCCN1C(=O)/C=C/c1ccc(Br)o1 ZINC000493128668 380811994 /nfs/dbraw/zinc/81/19/94/380811994.db2.gz UHVLQKQBSWPMJG-OTQAPUNGSA-N 1 0 299.168 2.005 10 0 CEAERO Clc1cc(Cl)cc(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000334822914 207139692 /nfs/dbraw/zinc/13/96/92/207139692.db2.gz YZORAYIYVYHPRK-QWHCGFSZSA-N 1 0 287.190 2.166 10 0 CEAERO CC1(C)CN(C(=O)Nc2ccc(Cl)cn2)CC[C@@H]1[NH3+] ZINC000334856485 207193156 /nfs/dbraw/zinc/19/31/56/207193156.db2.gz ZAHIKXIKQWOBFN-JTQLQIEISA-N 1 0 282.775 2.326 10 0 CEAERO C[NH2+][C@H](C)c1c(F)cccc1N(CCO)C1CC1 ZINC000042479885 184553905 /nfs/dbraw/zinc/55/39/05/184553905.db2.gz QYMSREGGHPRPNH-SNVBAGLBSA-N 1 0 252.333 2.067 10 0 CEAERO COc1ccc(C[NH2+][C@H]2CCCCC[C@H]2O)cc1OC ZINC000037891683 184543153 /nfs/dbraw/zinc/54/31/53/184543153.db2.gz GHZQKJYAWXTJEB-UONOGXRCSA-N 1 0 279.380 2.487 10 0 CEAERO CCCC[C@H]([NH3+])C(=O)N1CCc2ccccc2CC1 ZINC000079572018 184593064 /nfs/dbraw/zinc/59/30/64/184593064.db2.gz OSBPMJPOTQODNA-HNNXBMFYSA-N 1 0 260.381 2.131 10 0 CEAERO CCNC(=O)CSc1ccc([C@@H](C)[NH2+]C)cc1 ZINC000079580236 184593893 /nfs/dbraw/zinc/59/38/93/184593893.db2.gz VIXXHFQSPQRBLH-SNVBAGLBSA-N 1 0 252.383 2.195 10 0 CEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(C)CCC(C)C ZINC000079599136 184595038 /nfs/dbraw/zinc/59/50/38/184595038.db2.gz ANHVDGUDAFFAEE-ZDUSSCGKSA-N 1 0 257.422 2.404 10 0 CEAERO Cc1cccc(NC(=O)C[N@@H+]2CCCC[C@H]2C(N)=S)c1 ZINC000079848664 184595907 /nfs/dbraw/zinc/59/59/07/184595907.db2.gz BXFBMRGFRPZUNF-ZDUSSCGKSA-N 1 0 291.420 2.074 10 0 CEAERO C[NH2+][C@H](C)[C@H](C)Sc1nnc2n1CCCCC2 ZINC000081865786 184598668 /nfs/dbraw/zinc/59/86/68/184598668.db2.gz SRTYOEZXDDEAGC-ZJUUUORDSA-N 1 0 254.403 2.093 10 0 CEAERO CC[C@@H](C)N(CC)S(=O)(=O)c1ccc(C[NH2+]C)s1 ZINC000088950879 184614849 /nfs/dbraw/zinc/61/48/49/184614849.db2.gz HVDBBBYTAVBLTG-SNVBAGLBSA-N 1 0 290.454 2.277 10 0 CEAERO CC(C)[NH2+][C@](C)(C[C@@H](C)OCC1CCCC1)C(N)=O ZINC000090810864 184618222 /nfs/dbraw/zinc/61/82/22/184618222.db2.gz JRFHMCUVYSUTKP-IUODEOHRSA-N 1 0 270.417 2.214 10 0 CEAERO CCN(C[C@@](C)(CO)[NH2+]C(C)C)c1ccccc1 ZINC000085239216 184607069 /nfs/dbraw/zinc/60/70/69/184607069.db2.gz XLRMSDSVSMBBSM-HNNXBMFYSA-N 1 0 250.386 2.262 10 0 CEAERO CC1(C)C(CNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)C1(C)C ZINC000092817963 184628631 /nfs/dbraw/zinc/62/86/31/184628631.db2.gz YIACWTVNDRBUBK-CQSZACIVSA-N 1 0 286.419 2.499 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@@H](Sc1cc(C)nn1C)C2 ZINC000092860765 184632537 /nfs/dbraw/zinc/63/25/37/184632537.db2.gz JDQCEWJRVZMXKK-ZFWWWQNUSA-N 1 0 289.404 2.454 10 0 CEAERO C[NH2+][C@H](CSC1COC1)c1ccc(OC)cc1 ZINC000092712734 184622747 /nfs/dbraw/zinc/62/27/47/184622747.db2.gz HHANICXQUVVLHA-CYBMUJFWSA-N 1 0 253.367 2.088 10 0 CEAERO C[NH2+]C[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2)c1 ZINC000092862721 184632862 /nfs/dbraw/zinc/63/28/62/184632862.db2.gz IMBVRKBAIXCXSE-DOMZBBRYSA-N 1 0 257.337 2.169 10 0 CEAERO C[NH2+]C[C@@H]1CCCO[C@H]1c1c(OC)cc(OC)cc1OC ZINC000092883167 184633727 /nfs/dbraw/zinc/63/37/27/184633727.db2.gz XOHSRBXQJJZUPA-MEDUHNTESA-N 1 0 295.379 2.400 10 0 CEAERO COC(=O)c1cc(Cl)ccc1NC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000092951786 184637301 /nfs/dbraw/zinc/63/73/01/184637301.db2.gz JNRKCRAQKTVUPF-WPRPVWTQSA-N 1 0 296.754 2.063 10 0 CEAERO [NH3+][C@H]1CC[C@@H](Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000093206106 184655260 /nfs/dbraw/zinc/65/52/60/184655260.db2.gz QXJUUEUWNKTXDM-WCQYABFASA-N 1 0 259.353 2.105 10 0 CEAERO CCN(CC)C(=O)c1cccc(N[C@H]2CC[C@H]([NH3+])C2)c1 ZINC000093205394 184655327 /nfs/dbraw/zinc/65/53/27/184655327.db2.gz VTXYBWPWQMLWFB-ZFWWWQNUSA-N 1 0 275.396 2.460 10 0 CEAERO [NH3+][C@H]1CCC[C@H](Nc2ccccc2N2CCCC2=O)C1 ZINC000093210508 184655831 /nfs/dbraw/zinc/65/58/31/184655831.db2.gz NRFLQGSRSPGHGA-STQMWFEESA-N 1 0 273.380 2.495 10 0 CEAERO CCOC(OCC)[C@H](Cc1ccccc1OC)[NH2+]C ZINC000093307032 184662366 /nfs/dbraw/zinc/66/23/66/184662366.db2.gz LHUTZNQVAAWBEO-ZDUSSCGKSA-N 1 0 267.369 2.225 10 0 CEAERO [NH3+][C@H]1CCC[C@@H](Nc2ccccc2N2CCCC2=O)C1 ZINC000093210506 184655879 /nfs/dbraw/zinc/65/58/79/184655879.db2.gz NRFLQGSRSPGHGA-QWHCGFSZSA-N 1 0 273.380 2.495 10 0 CEAERO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](O)CC(C)(C)C1 ZINC000335399238 208370285 /nfs/dbraw/zinc/37/02/85/208370285.db2.gz IGVMXTKIVCNVTI-CABCVRRESA-N 1 0 296.455 2.259 10 0 CEAERO Cc1c(N[C@H](C)C[C@@H]2CCCC[NH2+]2)cccc1C(N)=O ZINC000093484906 184682271 /nfs/dbraw/zinc/68/22/71/184682271.db2.gz DVLVJPDIMYFKMW-YPMHNXCESA-N 1 0 275.396 2.427 10 0 CEAERO O=C([O-])CCC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000093494819 184684392 /nfs/dbraw/zinc/68/43/92/184684392.db2.gz JLRGJYQDFYPNER-MJBXVCDLSA-N 1 0 268.401 2.142 10 0 CEAERO COc1ccc(C)cc1[C@]1(C)CNC(=[NH2+])N1C(C)C ZINC000093374299 184668275 /nfs/dbraw/zinc/66/82/75/184668275.db2.gz IFGGJCCOADERLY-HNNXBMFYSA-N 1 0 261.369 2.258 10 0 CEAERO C[C@@H]1C[C@]2(C[NH+]=C(N)N2c2cccc(Cl)c2)CCO1 ZINC000093379175 184669074 /nfs/dbraw/zinc/66/90/74/184669074.db2.gz QJHDZALUMPELKF-YGRLFVJLSA-N 1 0 279.771 2.412 10 0 CEAERO C[C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CCN(C)C ZINC000093461903 184677996 /nfs/dbraw/zinc/67/79/96/184677996.db2.gz RLGMOWAARKHZJI-KBPBESRZSA-N 1 0 299.459 2.316 10 0 CEAERO CC[C@@H]1C[N@H+](C[C@@H](O)COCc2ccccc2)CCCO1 ZINC000281277694 195176802 /nfs/dbraw/zinc/17/68/02/195176802.db2.gz GEZPPSYRFTXGST-IAGOWNOFSA-N 1 0 293.407 2.065 10 0 CEAERO CCCS(=O)(=O)C[C@H]([NH2+]CC)c1ccc(OC)cc1 ZINC000081941649 177904303 /nfs/dbraw/zinc/90/43/03/177904303.db2.gz DBNJWVKQEUBUNG-AWEZNQCLSA-N 1 0 285.409 2.171 10 0 CEAERO CCCS(=O)(=O)[C@H]1C[C@@H](C(C)C)CC[C@@H]1[NH2+]C ZINC000081941154 177904389 /nfs/dbraw/zinc/90/43/89/177904389.db2.gz UKQKUIUCKIUITL-AVGNSLFASA-N 1 0 261.431 2.224 10 0 CEAERO CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1Sc1nc(C)cc(=O)[nH]1 ZINC000081868799 177869080 /nfs/dbraw/zinc/86/90/80/177869080.db2.gz STBIZTRKHZXFSI-USWWRNFRSA-N 1 0 281.425 2.337 10 0 CEAERO C[NH2+][C@H](c1ccccc1)[C@@H](Sc1nnnn1C)C(C)C ZINC000081844442 177865647 /nfs/dbraw/zinc/86/56/47/177865647.db2.gz HVZBTBPSLSFQQO-OLZOCXBDSA-N 1 0 291.424 2.288 10 0 CEAERO CC(C)(C)[C@H]1CCCN(C(=O)CC2C[NH2+]C2)CC1 ZINC000081767337 177855420 /nfs/dbraw/zinc/85/54/20/177855420.db2.gz DDUKHQLPELNEMZ-ZDUSSCGKSA-N 1 0 252.402 2.271 10 0 CEAERO C[C@@H](NC(=O)CC1C[NH2+]C1)c1ccccc1OC(F)F ZINC000081748390 177852993 /nfs/dbraw/zinc/85/29/93/177852993.db2.gz BTADIURDAOCCOC-SECBINFHSA-N 1 0 284.306 2.075 10 0 CEAERO O=C(CC1C[NH2+]C1)N1CCC(Cc2ccccc2)CC1 ZINC000081746268 177852135 /nfs/dbraw/zinc/85/21/35/177852135.db2.gz RQHDBPWENLXWJO-UHFFFAOYSA-N 1 0 272.392 2.077 10 0 CEAERO CC[NH2+]C[C@@H]1CC[C@H](COc2cncc(Cl)c2)O1 ZINC000081702337 177841402 /nfs/dbraw/zinc/84/14/02/177841402.db2.gz FBTJPXYDNIKEQB-NWDGAFQWSA-N 1 0 270.760 2.271 10 0 CEAERO COC[C@@H]1CCN(c2cc(C[NH2+]CC(C)C)ccn2)C1 ZINC000081159548 177778642 /nfs/dbraw/zinc/77/86/42/177778642.db2.gz UXHAMYVXUMYRGR-OAHLLOKOSA-N 1 0 277.412 2.300 10 0 CEAERO CC(C)Oc1ncccc1CNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000080998940 177752608 /nfs/dbraw/zinc/75/26/08/177752608.db2.gz ZQNSJCAXBHMUBX-CQSZACIVSA-N 1 0 291.395 2.017 10 0 CEAERO CC[C@]1(C)CO[C@H](c2nc3ccccc3n2C)C[NH2+]1 ZINC000080884780 177723157 /nfs/dbraw/zinc/72/31/57/177723157.db2.gz RZARSJJBAZUKGM-DZGCQCFKSA-N 1 0 259.353 2.403 10 0 CEAERO C[C@H]([NH3+])c1csc(N(C)CC2CCOCC2)n1 ZINC000080831957 177713267 /nfs/dbraw/zinc/71/32/67/177713267.db2.gz IHQFRPFVEZARNG-VIFPVBQESA-N 1 0 255.387 2.026 10 0 CEAERO CCN(CC)C(=O)c1cc(OCC2([NH3+])CCCC2)ccn1 ZINC000080838006 177714009 /nfs/dbraw/zinc/71/40/09/177714009.db2.gz MASNWSZQRGIANA-UHFFFAOYSA-N 1 0 291.395 2.214 10 0 CEAERO CCOCC[N@H+](CC)C[C@@H](C(N)=S)c1ccccc1 ZINC000080797805 177708780 /nfs/dbraw/zinc/70/87/80/177708780.db2.gz PYTOAJFCORUPMA-CQSZACIVSA-N 1 0 280.437 2.415 10 0 CEAERO NC(=[NH2+])[C@H](CSc1ncccn1)c1ccccc1 ZINC000080794871 177708068 /nfs/dbraw/zinc/70/80/68/177708068.db2.gz IDYOLOARKDTWIO-LLVKDONJSA-N 1 0 258.350 2.288 10 0 CEAERO CCC[NH2+][C@H](c1c(C)ccnc1N)[C@H](C)OCC ZINC000080744225 177697146 /nfs/dbraw/zinc/69/71/46/177697146.db2.gz LKBAAZRVVYKXGK-AAEUAGOBSA-N 1 0 251.374 2.438 10 0 CEAERO CCOC(=O)C[C@H](c1ccc(OC)cc1OC)[NH+](C)C ZINC000080705745 177694894 /nfs/dbraw/zinc/69/48/94/177694894.db2.gz RKCHFMNTQKARBR-CYBMUJFWSA-N 1 0 281.352 2.260 10 0 CEAERO Nc1cccc(NC(=O)CC[N@H+](CC2CC2)C2CC2)c1 ZINC000080364254 177645446 /nfs/dbraw/zinc/64/54/46/177645446.db2.gz PYNCHEQDSQPQAI-UHFFFAOYSA-N 1 0 273.380 2.472 10 0 CEAERO CC[C@H]1CC[C@@H]([NH2+]CC(C)(C)N2CCOCC2)C1 ZINC000080427403 177651400 /nfs/dbraw/zinc/65/14/00/177651400.db2.gz XXGJLCSGRXCELV-UONOGXRCSA-N 1 0 254.418 2.266 10 0 CEAERO CCC[C@H](C)NC(=O)[C@H](C)[N@H+](CC(N)=S)C1CCCC1 ZINC000080222054 177627938 /nfs/dbraw/zinc/62/79/38/177627938.db2.gz ROBYNSHXEYFEQD-RYUDHWBXSA-N 1 0 299.484 2.210 10 0 CEAERO CC[NH2+][C@]1(C(N)=O)CC[C@@H](Oc2cc(C)ccc2C)C1 ZINC000093845755 184730905 /nfs/dbraw/zinc/73/09/05/184730905.db2.gz QFAXVUBSJMQCAO-CZUORRHYSA-N 1 0 276.380 2.068 10 0 CEAERO CCOC[C@H]([NH2+]C)C1(c2ccccc2)CCOCC1 ZINC000093540151 184689159 /nfs/dbraw/zinc/68/91/59/184689159.db2.gz CMXPIJGQYKGLAV-HNNXBMFYSA-N 1 0 263.381 2.359 10 0 CEAERO CCC[NH2+][C@]1(CO)CCC[C@@H]1CCn1ccnc1CC ZINC000093618989 184696866 /nfs/dbraw/zinc/69/68/66/184696866.db2.gz ZJNOCPGWEAKOLN-ZBFHGGJFSA-N 1 0 279.428 2.366 10 0 CEAERO C[NH2+][C@@]1(CO)CCC[C@@H]1CCOc1ccc(F)cc1 ZINC000093621370 184697355 /nfs/dbraw/zinc/69/73/55/184697355.db2.gz OAIHJTOUJKXLFI-IUODEOHRSA-N 1 0 267.344 2.345 10 0 CEAERO CC[NH2+][C@@]1(CO)CCC[C@@H]1CCSCCCOC ZINC000093622320 184697693 /nfs/dbraw/zinc/69/76/93/184697693.db2.gz MWVFLFVWZVFCGS-ZIAGYGMSSA-N 1 0 275.458 2.287 10 0 CEAERO C[NH2+][C@@]1(CO)CCC[C@H]1CCSc1nnc(C)s1 ZINC000093623021 184697699 /nfs/dbraw/zinc/69/76/99/184697699.db2.gz ORSMUVADTJOUAW-CMPLNLGQSA-N 1 0 287.454 2.079 10 0 CEAERO CCC[NH2+][C@]1(CO)CCC[C@H]1CCSCCOC ZINC000093623397 184697756 /nfs/dbraw/zinc/69/77/56/184697756.db2.gz PETZKYLTXPVREP-KBPBESRZSA-N 1 0 275.458 2.287 10 0 CEAERO Cc1ccc(F)c(OCC[C@@H]2CCC[C@@]2([NH3+])CO)c1 ZINC000093621901 184697799 /nfs/dbraw/zinc/69/77/99/184697799.db2.gz IRCPDJJSJHFOGA-SWLSCSKDSA-N 1 0 267.344 2.393 10 0 CEAERO [NH3+]C[C@]1(O)CCC[C@@H]1CCOc1ccc(F)cc1F ZINC000093627868 184698960 /nfs/dbraw/zinc/69/89/60/184698960.db2.gz CTFODRRLYCPFGY-QMTHXVAHSA-N 1 0 271.307 2.224 10 0 CEAERO CC[NH2+]C[C@@](C)(CC)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701543 184707876 /nfs/dbraw/zinc/70/78/76/184707876.db2.gz JRRSXSAEEHPPNW-KBPBESRZSA-N 1 0 290.473 2.074 10 0 CEAERO CC(C)[NH2+]CC(C)(C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701476 184707932 /nfs/dbraw/zinc/70/79/32/184707932.db2.gz LVJWYCCCKDTVSN-CYBMUJFWSA-N 1 0 290.473 2.072 10 0 CEAERO COC(=O)C(C)(C)Cn1ccc(C[NH2+]CC(C)C)c1 ZINC000093718767 184709406 /nfs/dbraw/zinc/70/94/06/184709406.db2.gz AFFBNLOTJWEIDI-UHFFFAOYSA-N 1 0 266.385 2.433 10 0 CEAERO C[NH2+][C@]1(CO)CCC[C@@H](n2cnc3ccccc32)C1 ZINC000093784139 184720847 /nfs/dbraw/zinc/72/08/47/184720847.db2.gz AOKWCTDKTGZJQI-IUODEOHRSA-N 1 0 259.353 2.102 10 0 CEAERO CC(C)[NH2+][C@@]1(CO)CCC[C@@H](Sc2nncs2)C1 ZINC000093786740 184721943 /nfs/dbraw/zinc/72/19/43/184721943.db2.gz ADAXVMKCTOUPCZ-PWSUYJOCSA-N 1 0 287.454 2.302 10 0 CEAERO C[NH2+][C@]1(CO)CCC[C@H](Oc2ccc(C)cc2OC)C1 ZINC000093785706 184722000 /nfs/dbraw/zinc/72/20/00/184722000.db2.gz CIVXLYVHFIXVEY-XJKSGUPXSA-N 1 0 279.380 2.276 10 0 CEAERO CC(C)[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccncc1 ZINC000094448471 184802428 /nfs/dbraw/zinc/80/24/28/184802428.db2.gz SGSMEZKUOQKAFR-CVEARBPZSA-N 1 0 259.397 2.386 10 0 CEAERO [NH3+]Cc1ccc(OC[C@H]2OCCc3ccccc32)cn1 ZINC000094208210 184763375 /nfs/dbraw/zinc/76/33/75/184763375.db2.gz JUUNTTBWTUNQKA-MRXNPFEDSA-N 1 0 270.332 2.233 10 0 CEAERO CCCCCNC(=O)[C@H](C)Oc1ccc(C[C@H](C)[NH3+])nc1 ZINC000094215767 184763719 /nfs/dbraw/zinc/76/37/19/184763719.db2.gz VHEWAIFKDYTOMK-STQMWFEESA-N 1 0 293.411 2.045 10 0 CEAERO CCC[C@H](C)NC(=O)[C@H](C)Oc1ccc(C[C@@H](C)[NH3+])nc1 ZINC000094215637 184763893 /nfs/dbraw/zinc/76/38/93/184763893.db2.gz ZBWBVMYNGVOBNB-AGIUHOORSA-N 1 0 293.411 2.043 10 0 CEAERO CCCOC(=O)c1ccc(NC(=O)[C@@](C)([NH3+])CC)cc1 ZINC000094236854 184767671 /nfs/dbraw/zinc/76/76/71/184767671.db2.gz HYROAQPVPUFKMW-HNNXBMFYSA-N 1 0 278.352 2.319 10 0 CEAERO CC[C@@](C)([NH3+])C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000094233757 184767833 /nfs/dbraw/zinc/76/78/33/184767833.db2.gz ZWMMZRLSQRZGCT-CQSZACIVSA-N 1 0 258.325 2.143 10 0 CEAERO Cc1cscc1C(=O)N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000094248289 184769673 /nfs/dbraw/zinc/76/96/73/184769673.db2.gz NFSBXZVSAZJHFK-QWHCGFSZSA-N 1 0 264.394 2.413 10 0 CEAERO Cc1cscc1C(=O)N(C)CC1CC[NH2+]CC1 ZINC000094248445 184769725 /nfs/dbraw/zinc/76/97/25/184769725.db2.gz GQQGIHLGPFGPNN-UHFFFAOYSA-N 1 0 252.383 2.128 10 0 CEAERO CC[C@@H](c1noc(-c2cscc2C)n1)N1CC[NH2+]CC1 ZINC000094249224 184769947 /nfs/dbraw/zinc/76/99/47/184769947.db2.gz KVCLTMQKEBBRMM-LBPRGKRZSA-N 1 0 292.408 2.463 10 0 CEAERO CN(C)c1ccc2[nH]c(C3CCC(C[NH3+])CC3)nc2n1 ZINC000094262708 184770830 /nfs/dbraw/zinc/77/08/30/184770830.db2.gz TULPPXJPSUXPKP-UHFFFAOYSA-N 1 0 273.384 2.208 10 0 CEAERO CCC[C@H](CC[NH3+])CCc1nc2nc(N)ccc2[nH]1 ZINC000094263791 184771674 /nfs/dbraw/zinc/77/16/74/184771674.db2.gz PKZIPXZRTOECQS-JTQLQIEISA-N 1 0 261.373 2.238 10 0 CEAERO CC1(C)Oc2ccc(NC(=O)CC3([NH3+])CCC3)cc2O1 ZINC000094293755 184777197 /nfs/dbraw/zinc/77/71/97/184777197.db2.gz GXQCBIXLOHIVLJ-UHFFFAOYSA-N 1 0 276.336 2.404 10 0 CEAERO C[C@H]1CN(Cc2cc(Cl)cc3c2OCOC3)CC[C@@H]1[NH3+] ZINC000094341224 184784021 /nfs/dbraw/zinc/78/40/21/184784021.db2.gz DMHGKJOHVZRDNQ-HZMBPMFUSA-N 1 0 296.798 2.376 10 0 CEAERO [NH3+][C@@H](COc1ccccc1)[C@H]1CCOC2(CCOCC2)C1 ZINC000094401947 184793202 /nfs/dbraw/zinc/79/32/02/184793202.db2.gz LPXMWDOINKBNEX-HOCLYGCPSA-N 1 0 291.391 2.369 10 0 CEAERO CCC[NH2+][C@H](C(OC)OC)[C@H]1CCOC2(CCC2)C1 ZINC000094407959 184794120 /nfs/dbraw/zinc/79/41/20/184794120.db2.gz NMMPOQDIOWHSMO-STQMWFEESA-N 1 0 271.401 2.323 10 0 CEAERO C[NH2+]Cc1c(C)nn([C@H]2CCOC3(CCC3)C2)c1C ZINC000094412443 184794521 /nfs/dbraw/zinc/79/45/21/184794521.db2.gz HAMYOBWROXEBGG-ZDUSSCGKSA-N 1 0 263.385 2.494 10 0 CEAERO CCC[NH2+]C[C@H](O)[C@H]1CCOC2(CCSCC2)C1 ZINC000094418448 184795012 /nfs/dbraw/zinc/79/50/12/184795012.db2.gz QIJAYBSRTDXESO-STQMWFEESA-N 1 0 273.442 2.039 10 0 CEAERO CC(C)[NH2+]C[C@H](O)[C@H]1CCOC2(CCSCC2)C1 ZINC000094418472 184795283 /nfs/dbraw/zinc/79/52/83/184795283.db2.gz DAZWHGKEYKGYDM-STQMWFEESA-N 1 0 273.442 2.038 10 0 CEAERO CC[C@]1(C)CN(CCOCCOC)c2ccccc2C[NH2+]1 ZINC000094421607 184795344 /nfs/dbraw/zinc/79/53/44/184795344.db2.gz AAVMPJZCBQADFZ-QGZVFWFLSA-N 1 0 292.423 2.428 10 0 CEAERO [NH3+][C@H](CNc1ccc2nccnc2n1)c1ccccc1 ZINC000094726340 184847610 /nfs/dbraw/zinc/84/76/10/184847610.db2.gz FBMLEFJQJPFXLH-GFCCVEGCSA-N 1 0 265.320 2.137 10 0 CEAERO CCOC(=O)[C@@H](C[N@H+](CCC(C)C)C1CCCC1)NC ZINC000094851469 184879992 /nfs/dbraw/zinc/87/99/92/184879992.db2.gz CXPBDSBHKGUGFB-OAHLLOKOSA-N 1 0 284.444 2.428 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000094750853 184852746 /nfs/dbraw/zinc/85/27/46/184852746.db2.gz GDZHGQCFMFMLAK-ZIAGYGMSSA-N 1 0 274.364 2.468 10 0 CEAERO C[C@H]([NH2+]C[C@@]1(C)CCCO1)c1ccc(NC(N)=O)cc1 ZINC000094798278 184866588 /nfs/dbraw/zinc/86/65/88/184866588.db2.gz VGDAYTGQKXJGHC-XHDPSFHLSA-N 1 0 277.368 2.397 10 0 CEAERO CNC(=O)[C@@H](CC(C)C)[NH2+][C@H]1CSCCC1(C)C ZINC000094483112 184808878 /nfs/dbraw/zinc/80/88/78/184808878.db2.gz MZWJTHCSINCBRA-NEPJUHHUSA-N 1 0 272.458 2.268 10 0 CEAERO CCC[C@H]([NH3+])Cc1nc(CCC(F)(F)F)no1 ZINC000094494119 184809939 /nfs/dbraw/zinc/80/99/39/184809939.db2.gz SXCISVNOOFFMPZ-ZETCQYMHSA-N 1 0 251.252 2.234 10 0 CEAERO CCC[C@H](Cc1nc(CCC(F)(F)F)no1)[NH2+]C ZINC000094494116 184810182 /nfs/dbraw/zinc/81/01/82/184810182.db2.gz PBBDORAMGVRZIC-MRVPVSSYSA-N 1 0 265.279 2.495 10 0 CEAERO C[NH2+][C@H](CCc1ccccc1)[C@@H]1CSCCO1 ZINC000094503286 184811464 /nfs/dbraw/zinc/81/14/64/184811464.db2.gz MMZRFJQSXQEJCG-KGLIPLIRSA-N 1 0 251.395 2.339 10 0 CEAERO Cc1ccc(CCC(=O)N2C[C@H](C)C[C@H]([NH3+])C2)cc1 ZINC000094549346 184815798 /nfs/dbraw/zinc/81/57/98/184815798.db2.gz YNLLYKKANZIFPP-HIFRSBDPSA-N 1 0 260.381 2.123 10 0 CEAERO C[C@H]1C[C@@H]([NH3+])CN(C(=O)Cc2c(F)cccc2Cl)C1 ZINC000094549425 184816173 /nfs/dbraw/zinc/81/61/73/184816173.db2.gz MSEVERZUPZCSIA-VHSXEESVSA-N 1 0 284.762 2.217 10 0 CEAERO CC(C)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H]([NH3+])C2)cc1 ZINC000094550631 184816831 /nfs/dbraw/zinc/81/68/31/184816831.db2.gz DFDAQHMJNVFBIM-TZMCWYRMSA-N 1 0 296.436 2.168 10 0 CEAERO [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)O1 ZINC000094562984 184818464 /nfs/dbraw/zinc/81/84/64/184818464.db2.gz JYLXMGSIKVHYHK-KCJUWKMLSA-N 1 0 289.162 2.438 10 0 CEAERO COc1cc(Cl)c(C)cc1NC(=O)[C@@H]1CC[C@@H](C[NH3+])O1 ZINC000094562933 184818491 /nfs/dbraw/zinc/81/84/91/184818491.db2.gz VKHOJOUANDTFOA-CABZTGNLSA-N 1 0 298.770 2.102 10 0 CEAERO Cc1nnc([C@H]2CC[C@@H](C[NH3+])O2)n1C1CCCCC1 ZINC000094561337 184818852 /nfs/dbraw/zinc/81/88/52/184818852.db2.gz BNKPOUROVCQTJC-QWHCGFSZSA-N 1 0 264.373 2.271 10 0 CEAERO [NH3+]Cc1ccc(C(=O)NCc2nc3ccccc3s2)o1 ZINC000094570141 184820609 /nfs/dbraw/zinc/82/06/09/184820609.db2.gz FCCUAYCOYUHPCL-UHFFFAOYSA-N 1 0 287.344 2.278 10 0 CEAERO C[NH2+][C@@](C)(CO)CCCCSc1ccncc1 ZINC000094616405 184826428 /nfs/dbraw/zinc/82/64/28/184826428.db2.gz GLNZBZZSZAFTKG-CYBMUJFWSA-N 1 0 254.399 2.314 10 0 CEAERO Cc1ccccc1CCNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000094648784 184833937 /nfs/dbraw/zinc/83/39/37/184833937.db2.gz GSPJHYLDONFYOM-HIFRSBDPSA-N 1 0 260.381 2.042 10 0 CEAERO CCC[NH2+]CCc1nnc(-c2cccnc2C)s1 ZINC000094649708 184834387 /nfs/dbraw/zinc/83/43/87/184834387.db2.gz XSIQLUUECNLJIR-UHFFFAOYSA-N 1 0 262.382 2.451 10 0 CEAERO CC(C)C[C@H](C[NH3+])C(=O)NCCc1cccc(F)c1 ZINC000094697182 184841543 /nfs/dbraw/zinc/84/15/43/184841543.db2.gz GJDVLDOBSPCPEB-CYBMUJFWSA-N 1 0 266.360 2.105 10 0 CEAERO Cc1csc([C@H](C)NC(=O)[C@H](C[NH3+])CC(C)C)n1 ZINC000094700606 184842447 /nfs/dbraw/zinc/84/24/47/184842447.db2.gz MZASOJDCJZZSCA-QWRGUYRKSA-N 1 0 269.414 2.250 10 0 CEAERO Cc1ncsc1CN(C)C(=O)[C@H](C[NH3+])CC(C)C ZINC000094700456 184842741 /nfs/dbraw/zinc/84/27/41/184842741.db2.gz XXUDVKLSOJCFCF-NSHDSACASA-N 1 0 269.414 2.031 10 0 CEAERO Cc1ccccc1CCNC(=O)[C@@H](C[NH3+])CC(C)C ZINC000094701061 184842858 /nfs/dbraw/zinc/84/28/58/184842858.db2.gz XTOAYWFAAUSGKU-OAHLLOKOSA-N 1 0 262.397 2.275 10 0 CEAERO C[NH2+][C@H]1CCC[C@H]1S(=O)(=O)Cc1cc(C)cc(C)c1 ZINC000094719940 184847069 /nfs/dbraw/zinc/84/70/69/184847069.db2.gz YFAYZHBZRCMWLF-LSDHHAIUSA-N 1 0 281.421 2.359 10 0 CEAERO CC[C@]1(C)C[NH2+][C@@H](C)CN1Cc1nc(C)cs1 ZINC000094979378 184910439 /nfs/dbraw/zinc/91/04/39/184910439.db2.gz LUSLNGUQIKXIKU-GXFFZTMASA-N 1 0 253.415 2.414 10 0 CEAERO C[NH2+][C@H](C)c1ccnc(N(CCOC)CC(C)C)c1 ZINC000094998917 184912440 /nfs/dbraw/zinc/91/24/40/184912440.db2.gz KNNVPCSWKLEKEU-CYBMUJFWSA-N 1 0 265.401 2.471 10 0 CEAERO Cc1ccn2c(c1)nnc2[C@@H](C[NH3+])c1ccccc1 ZINC000095022326 184917625 /nfs/dbraw/zinc/91/76/25/184917625.db2.gz LBBWRWGYBLOSBF-ZDUSSCGKSA-N 1 0 252.321 2.128 10 0 CEAERO CCOCCCC(=O)Nc1cccc([C@H](C)[NH3+])c1 ZINC000095035432 184919737 /nfs/dbraw/zinc/91/97/37/184919737.db2.gz UXGVGBVNYIPTOT-NSHDSACASA-N 1 0 250.342 2.462 10 0 CEAERO CC(C)CN(CCC[NH3+])C(=O)Cc1ccc(F)c(F)c1 ZINC000095045452 184923531 /nfs/dbraw/zinc/92/35/31/184923531.db2.gz YLYYSTMEZMRYSE-UHFFFAOYSA-N 1 0 284.350 2.341 10 0 CEAERO Cc1cnc(N(C)C[C@@H]2CCCC[NH2+]2)nc1Cl ZINC000095070786 184933042 /nfs/dbraw/zinc/93/30/42/184933042.db2.gz NKHGHRZKRYQPKA-JTQLQIEISA-N 1 0 254.765 2.017 10 0 CEAERO Brc1cccc(NC[C@@H]2CCCC[NH2+]2)n1 ZINC000095092347 184940996 /nfs/dbraw/zinc/94/09/96/184940996.db2.gz LYBDGNKNDVXPGN-VIFPVBQESA-N 1 0 270.174 2.398 10 0 CEAERO CC[C@@H](C[NH3+])S(=O)(=O)NCC1(CC(C)C)CCCC1 ZINC000094875350 184885405 /nfs/dbraw/zinc/88/54/05/184885405.db2.gz HYXFPSBOINRZFD-ZDUSSCGKSA-N 1 0 290.473 2.250 10 0 CEAERO CC[C@H]1C[C@](C[NH3+])(N(CC)Cc2ccccn2)CCO1 ZINC000094911942 184891264 /nfs/dbraw/zinc/89/12/64/184891264.db2.gz LDIIAZLTUJBSCM-JKSUJKDBSA-N 1 0 277.412 2.190 10 0 CEAERO CCN(Cc1cccc(C)n1)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000094914690 184891707 /nfs/dbraw/zinc/89/17/07/184891707.db2.gz YSLNIAXYYVUWHH-UONOGXRCSA-N 1 0 275.396 2.256 10 0 CEAERO Cc1ccc(C(=O)N2C[C@H]3C[NH2+]C[C@@H]3C2(C)C)c(F)c1 ZINC000094919323 184893180 /nfs/dbraw/zinc/89/31/80/184893180.db2.gz GBZWGRLLYWTXOE-YPMHNXCESA-N 1 0 276.355 2.204 10 0 CEAERO C[NH2+][C@H]1CCCCC[C@H]1c1nc(-c2ncc[nH]2)no1 ZINC000094940674 184896992 /nfs/dbraw/zinc/89/69/92/184896992.db2.gz STKHJVXDGPYRMX-ZJUUUORDSA-N 1 0 261.329 2.095 10 0 CEAERO C[C@@H](CCCO)[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000094942476 184897982 /nfs/dbraw/zinc/89/79/82/184897982.db2.gz IJDYCSYYYVPDAQ-STQMWFEESA-N 1 0 251.370 2.464 10 0 CEAERO CCCOc1cc(NC[C@@H](CC)CC[NH3+])ncn1 ZINC000094962502 184905910 /nfs/dbraw/zinc/90/59/10/184905910.db2.gz WZDJLEZOTAUZOD-NSHDSACASA-N 1 0 252.362 2.052 10 0 CEAERO C[C@@H](NCc1ccn(Cc2ccccc2)n1)[C@@H]1CC[NH2+]C1 ZINC000400509570 533462680 /nfs/dbraw/zinc/46/26/80/533462680.db2.gz FEKAPIUSMXMSHP-GDBMZVCRSA-N 1 0 284.407 2.019 10 0 CEAERO CCc1ccc(CCNC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000237169298 131009983 /nfs/dbraw/zinc/00/99/83/131009983.db2.gz ZJIZGAMECIPXCV-LSDHHAIUSA-N 1 0 260.381 2.035 10 0 CEAERO O=C(Nc1nc(-c2ccc(O)cc2)cs1)[C@@H]1CCC[NH2+]1 ZINC000237977529 131069965 /nfs/dbraw/zinc/06/99/65/131069965.db2.gz JOPUJRJISRVVDQ-NSHDSACASA-N 1 0 289.360 2.206 10 0 CEAERO O=C(Nc1nc(-c2cccc(O)c2)cs1)[C@@H]1CCC[NH2+]1 ZINC000237989215 131070669 /nfs/dbraw/zinc/07/06/69/131070669.db2.gz XDNBQNHVFLKVIW-NSHDSACASA-N 1 0 289.360 2.206 10 0 CEAERO C[C@H](c1ccc(F)cc1F)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000247072866 131100251 /nfs/dbraw/zinc/10/02/51/131100251.db2.gz GPYUIEOHEBRRFO-YPMHNXCESA-N 1 0 284.350 2.288 10 0 CEAERO C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@H]1CCC[C@H]1O ZINC000251245998 131129647 /nfs/dbraw/zinc/12/96/47/131129647.db2.gz TUAGHWOFAUOLGE-XNRPHZJLSA-N 1 0 263.381 2.464 10 0 CEAERO Cc1ccc(N(C)C(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc1Cl ZINC000261888928 131176209 /nfs/dbraw/zinc/17/62/09/131176209.db2.gz VHGINMAJGSTAOL-YPMHNXCESA-N 1 0 282.771 2.118 10 0 CEAERO CCC[C@](C)([NH3+])C(=O)NCc1ccc(OC(C)(C)C)nc1 ZINC000262145235 131194196 /nfs/dbraw/zinc/19/41/96/131194196.db2.gz QDDHCKLKKFOQJL-INIZCTEOSA-N 1 0 293.411 2.393 10 0 CEAERO CC(C)(C)[C@@H]1C[C@@H](NC(=O)c2ccc(C[NH3+])cc2)CCO1 ZINC000262281159 131207476 /nfs/dbraw/zinc/20/74/76/131207476.db2.gz JATSWKAZYXNPTD-GJZGRUSLSA-N 1 0 290.407 2.469 10 0 CEAERO c1ccc2nc(N3CC[C@]4(CC[NH2+]C4)C3)ccc2c1 ZINC000082713912 285530867 /nfs/dbraw/zinc/53/08/67/285530867.db2.gz XODMLPHJNPIYMU-INIZCTEOSA-N 1 0 253.349 2.425 10 0 CEAERO Cc1cc(N2CCC[C@H](C(N)=[NH2+])C2)nc(C(C)C)n1 ZINC000079838845 134492973 /nfs/dbraw/zinc/49/29/73/134492973.db2.gz RBAWHEBRPDGNGW-NSHDSACASA-N 1 0 261.373 2.061 10 0 CEAERO C[C@@H]1CC[C@@H](C[NH3+])CN1c1nccc(C(F)(F)F)n1 ZINC000081587164 134499663 /nfs/dbraw/zinc/49/96/63/134499663.db2.gz HAVAZJANEPIWRC-BDAKNGLRSA-N 1 0 274.290 2.059 10 0 CEAERO O=C(c1ccc(F)cc1)c1ccc(N2CC[NH2+]CC2)cc1 ZINC000004245562 134647753 /nfs/dbraw/zinc/64/77/53/134647753.db2.gz XMVLLOZSGQGVCX-UHFFFAOYSA-N 1 0 284.334 2.466 10 0 CEAERO CCOc1cncc(N2CCCC[C@@H]2C[NH2+]C(C)C)n1 ZINC000071176893 134959925 /nfs/dbraw/zinc/95/99/25/134959925.db2.gz QCTPNOYBXUUXPZ-CYBMUJFWSA-N 1 0 278.400 2.232 10 0 CEAERO CC[NH2+][C@H]1CCN([C@@H](C)C(=O)NC(C)C)c2ccccc21 ZINC000071377850 134965063 /nfs/dbraw/zinc/96/50/63/134965063.db2.gz KBMTWYPAUIKDBF-ZFWWWQNUSA-N 1 0 289.423 2.460 10 0 CEAERO CC[NH2+][C@H]1CCN([C@@H](C)C(=O)NC2CC2)c2ccccc21 ZINC000071377960 134965084 /nfs/dbraw/zinc/96/50/84/134965084.db2.gz UNTIMQWLNDZCGK-WFASDCNBSA-N 1 0 287.407 2.214 10 0 CEAERO C[C@H]1CN(c2ccc(Br)cc2F)CC[NH2+]1 ZINC000083061067 135013411 /nfs/dbraw/zinc/01/34/11/135013411.db2.gz AUGGXBATIGSMHI-QMMMGPOBSA-N 1 0 273.149 2.386 10 0 CEAERO C[NH2+][C@](C)(CO)CCCN1CCCc2ccccc21 ZINC000085238988 135035668 /nfs/dbraw/zinc/03/56/68/135035668.db2.gz MIXPTKPTTRHPDM-INIZCTEOSA-N 1 0 262.397 2.190 10 0 CEAERO Fc1cc(F)c(F)c(N2CC[NH2+][C@H](C3CC3)C2)c1 ZINC000086147875 135039305 /nfs/dbraw/zinc/03/93/05/135039305.db2.gz KQGGGSCJPZDPBZ-NSHDSACASA-N 1 0 256.271 2.292 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C)CN1c1ccc(N2CCOCC2)cc1 ZINC000086175372 135039645 /nfs/dbraw/zinc/03/96/45/135039645.db2.gz NMAFWGVPIQSGNY-HUUCEWRRSA-N 1 0 289.423 2.100 10 0 CEAERO CCOc1ccc(OCC)c(N2CC[NH2+]C[C@@H]2C)c1 ZINC000086176928 135039687 /nfs/dbraw/zinc/03/96/87/135039687.db2.gz MEVCNKAUSAXXNA-LBPRGKRZSA-N 1 0 264.369 2.282 10 0 CEAERO [NH3+][C@H]1CCCN(c2cncc(OCCC3CC3)c2)C1 ZINC000088493428 135054870 /nfs/dbraw/zinc/05/48/70/135054870.db2.gz FPLCCGUUZFAEJK-ZDUSSCGKSA-N 1 0 261.369 2.188 10 0 CEAERO CCc1cc(N2CCC[C@H]([C@@H](C)[NH2+]C)C2)nc(C)n1 ZINC000088759718 135057087 /nfs/dbraw/zinc/05/70/87/135057087.db2.gz LMGNDDGZGDWCQM-YPMHNXCESA-N 1 0 262.401 2.172 10 0 CEAERO C[NH2+]CCCCS(=O)(=O)N1CCCc2cc(C)ccc21 ZINC000088929121 135057660 /nfs/dbraw/zinc/05/76/60/135057660.db2.gz ZURCCKVSWJVVFA-UHFFFAOYSA-N 1 0 296.436 2.077 10 0 CEAERO FC(F)(F)OCCOc1ccccc1N1CC[NH2+]CC1 ZINC000089056379 135057757 /nfs/dbraw/zinc/05/77/57/135057757.db2.gz WKUUWKXTXKEMIL-UHFFFAOYSA-N 1 0 290.285 2.011 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1Nc1ccc(N2CCOCC2)cc1 ZINC000089147839 135058364 /nfs/dbraw/zinc/05/83/64/135058364.db2.gz MCLVHCGBROPPBA-BBRMVZONSA-N 1 0 275.396 2.063 10 0 CEAERO CCn1nc(C)cc1CN1C[C@H]([NH3+])Cc2ccccc21 ZINC000089188597 135058404 /nfs/dbraw/zinc/05/84/04/135058404.db2.gz SWJHCKIPOLCJLV-CQSZACIVSA-N 1 0 270.380 2.101 10 0 CEAERO CCOc1ncnc(N2C[C@H](CC)[NH2+]C[C@@H]2CC)c1C ZINC000090789684 135065629 /nfs/dbraw/zinc/06/56/29/135065629.db2.gz KZTKMCGUGGICKF-STQMWFEESA-N 1 0 278.400 2.151 10 0 CEAERO C[C@H]([NH3+])Cc1cc(F)ccc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090908290 135066838 /nfs/dbraw/zinc/06/68/38/135066838.db2.gz VYVLBIFQEBKFME-LEWSCRJBSA-N 1 0 264.344 2.083 10 0 CEAERO CCOc1cc(N2CCC[C@@H]([NH+](C)C)C2)c(N)cc1F ZINC000091394453 135068859 /nfs/dbraw/zinc/06/88/59/135068859.db2.gz JANUBZQLGBFBSW-LLVKDONJSA-N 1 0 281.375 2.337 10 0 CEAERO O=C(Nc1ccc(N2CC[NH2+]CC2)cc1)N1CCCCC1 ZINC000091969142 135074413 /nfs/dbraw/zinc/07/44/13/135074413.db2.gz VXWDAYRZRCWAAK-UHFFFAOYSA-N 1 0 288.395 2.114 10 0 CEAERO C[C@@H]1Cc2ccccc2N(C(=O)[C@@H]2C=C[C@@H]([NH3+])C2)C1 ZINC000092207645 135075746 /nfs/dbraw/zinc/07/57/46/135075746.db2.gz RFVSJEVCHISKAG-MRVWCRGKSA-N 1 0 256.349 2.115 10 0 CEAERO Nc1cc[nH+]c(CN2C(=O)CCc3ccc(F)cc32)c1 ZINC000092419567 135076397 /nfs/dbraw/zinc/07/63/97/135076397.db2.gz HHZXBHJQWFWBII-UHFFFAOYSA-N 1 0 271.295 2.282 10 0 CEAERO Cc1cccc2c1N(C(=O)[C@H]1CC[NH2+][C@H]1C)CCC2 ZINC000092956032 135077760 /nfs/dbraw/zinc/07/77/60/135077760.db2.gz BCKOCMLAVJHARI-JSGCOSHPSA-N 1 0 258.365 2.272 10 0 CEAERO C[C@@H]1C[C@@H]1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000093123571 135079642 /nfs/dbraw/zinc/07/96/42/135079642.db2.gz ZDGXNXICDKTPLY-DOMZBBRYSA-N 1 0 288.395 2.006 10 0 CEAERO C[NH+](C)CC1CCN(c2cccc(F)c2C(N)=S)CC1 ZINC000093407407 135080849 /nfs/dbraw/zinc/08/08/49/135080849.db2.gz SQSOYWFDKNDVKV-UHFFFAOYSA-N 1 0 295.427 2.238 10 0 CEAERO CC[C@H](C)[NH+]1CCN(c2cccc(F)c2C(N)=S)CC1 ZINC000093407657 135080879 /nfs/dbraw/zinc/08/08/79/135080879.db2.gz BMJXWEGBKVEAHL-NSHDSACASA-N 1 0 295.427 2.380 10 0 CEAERO Cc1c([C@@H](C[NH3+])N2CCCc3ccccc32)cnn1C ZINC000093650441 135081797 /nfs/dbraw/zinc/08/17/97/135081797.db2.gz CSXKMOZPMMVOOU-MRXNPFEDSA-N 1 0 270.380 2.181 10 0 CEAERO CC[C@](C)([NH3+])C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000094231306 135084345 /nfs/dbraw/zinc/08/43/45/135084345.db2.gz CITLSDTWWLQIJX-HNNXBMFYSA-N 1 0 295.814 2.116 10 0 CEAERO Nc1ccc(N2CCC[C@H](C(F)(F)F)C2)[nH+]c1N ZINC000094260602 135084519 /nfs/dbraw/zinc/08/45/19/135084519.db2.gz WGUVOJJWCSEFGL-ZETCQYMHSA-N 1 0 260.263 2.025 10 0 CEAERO CC[C@](C)([NH3+])C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000094231688 135084528 /nfs/dbraw/zinc/08/45/28/135084528.db2.gz VTWBPVZGIJKMOA-KRWDZBQOSA-N 1 0 289.423 2.079 10 0 CEAERO [NH3+][C@@H]1CCCc2cc(Br)ccc2[C@H]1O ZINC000008699470 394460387 /nfs/dbraw/zinc/46/03/87/394460387.db2.gz FSXATJHMTWILTN-GHMZBOCLSA-N 1 0 256.143 2.146 10 0 CEAERO CC1(C)CC(NC(=O)C2([NH3+])CCOCC2)CC(C)(C)C1 ZINC000226706970 394471723 /nfs/dbraw/zinc/47/17/23/394471723.db2.gz PZCKDTQOMKXQTI-UHFFFAOYSA-N 1 0 282.428 2.215 10 0 CEAERO CC(=O)Nc1ccc(C[NH2+]CC[C@@H]2CCCO2)cc1 ZINC000030663913 394485226 /nfs/dbraw/zinc/48/52/26/394485226.db2.gz BEQUSAIYUWRWRE-HNNXBMFYSA-N 1 0 262.353 2.304 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ncccc1C ZINC000246473468 394516291 /nfs/dbraw/zinc/51/62/91/394516291.db2.gz KPVIMENJQHTHFT-CABCVRRESA-N 1 0 259.397 2.449 10 0 CEAERO COC(=O)[C@@H]1CCC[N@H+](C[C@H]2Cc3ccccc32)C1 ZINC000252703485 394573568 /nfs/dbraw/zinc/57/35/68/394573568.db2.gz KBHWDSGCFNCRGE-ZIAGYGMSSA-N 1 0 259.349 2.211 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PXLJKXGONHNNRR-CHWSQXEVSA-N 1 0 286.416 2.258 10 0 CEAERO c1ccc2c(c1)CCN2CCC[NH2+]CC1CCOCC1 ZINC000052175877 296621863 /nfs/dbraw/zinc/62/18/63/296621863.db2.gz YDOBFSGGLLKCEW-UHFFFAOYSA-N 1 0 274.408 2.455 10 0 CEAERO CCO[C@@H]1C[C@@H](N(C)C(=O)CC[C@@H](C)[NH3+])C12CCCC2 ZINC000193266717 286234844 /nfs/dbraw/zinc/23/48/44/286234844.db2.gz XZPNWOQNRRSVMH-MGPQQGTHSA-N 1 0 282.428 2.310 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH3+])C12CCN(C(=O)OC(C)(C)C)CC2 ZINC000071373436 286248651 /nfs/dbraw/zinc/24/86/51/286248651.db2.gz PFTNAMMYIVNWTD-VXGBXAGGSA-N 1 0 284.400 2.140 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccnn2C)C12CCOCC2 ZINC000193297867 286288464 /nfs/dbraw/zinc/28/84/64/286288464.db2.gz JVYUTHWQFXXKDE-NWANDNLSSA-N 1 0 293.411 2.045 10 0 CEAERO CC[C@]1(C)CN(C(=O)N[C@H](CC(C)C)C[NH+](C)C)CCO1 ZINC000188178742 288447234 /nfs/dbraw/zinc/44/72/34/288447234.db2.gz LTKNZYUCNHXXAY-GDBMZVCRSA-N 1 0 299.459 2.173 10 0 CEAERO C[C@@H]1C(=O)NCCCN1Cc1ccc(F)cc1Cl ZINC000189089882 153083619 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153215139 /nfs/dbraw/zinc/21/51/39/153215139.db2.gz DTLCBFCTNVWLND-UHFFFAOYSA-N 1 0 271.368 2.385 10 0 CEAERO COc1ncccc1C[NH+]1CCC(Cn2cccn2)CC1 ZINC000193338279 153229598 /nfs/dbraw/zinc/22/95/98/153229598.db2.gz PHSRUTYEDFEJNN-UHFFFAOYSA-N 1 0 286.379 2.199 10 0 CEAERO CCCCOC[C@@H](O)C[N@@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000193379883 153232025 /nfs/dbraw/zinc/23/20/25/153232025.db2.gz YCMHUTJTNKRXQK-HOTGVXAUSA-N 1 0 295.427 2.006 10 0 CEAERO CCCCOC[C@@H](O)C[N@@H+]1CCC[C@H](OCCC)CC1 ZINC000195176240 153275136 /nfs/dbraw/zinc/27/51/36/153275136.db2.gz QUFIIEFHGAZZPW-HOTGVXAUSA-N 1 0 287.444 2.445 10 0 CEAERO Cn1cc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c2ccccc21 ZINC000195086043 153277131 /nfs/dbraw/zinc/27/71/31/153277131.db2.gz PVNVBSIETGUZGX-CQSZACIVSA-N 1 0 297.402 2.489 10 0 CEAERO Cc1ccccc1CC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195096741 153277194 /nfs/dbraw/zinc/27/71/94/153277194.db2.gz WJJWNHMFIOFQAR-MRXNPFEDSA-N 1 0 272.392 2.234 10 0 CEAERO O=C(COc1ccccc1Cl)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195315256 153282375 /nfs/dbraw/zinc/28/23/75/153282375.db2.gz JAFRWOKOHDDUGY-LBPRGKRZSA-N 1 0 294.782 2.025 10 0 CEAERO O[C@H](C[NH+]1CCC(c2cc[nH]n2)CC1)c1ccccc1 ZINC000195505443 153291641 /nfs/dbraw/zinc/29/16/41/153291641.db2.gz OWADXCRJLITEEC-MRXNPFEDSA-N 1 0 271.364 2.323 10 0 CEAERO C[C@@H]1C[C@H](C[NH3+])CN1c1ccc(Br)cn1 ZINC000216179030 153293253 /nfs/dbraw/zinc/29/32/53/153293253.db2.gz XZRQVRVQTOWXRA-RKDXNWHRSA-N 1 0 270.174 2.018 10 0 CEAERO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCCNC1=O ZINC000223059726 153318139 /nfs/dbraw/zinc/31/81/39/153318139.db2.gz FNXWKDYPBRPUNL-ZWNOBZJWSA-N 1 0 266.772 2.139 10 0 CEAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1ncc(Cl)s1 ZINC000225355593 153327331 /nfs/dbraw/zinc/32/73/31/153327331.db2.gz KTVQGKOCGLRUEV-IUCAKERBSA-N 1 0 260.790 2.437 10 0 CEAERO CC(C)[C@@H]([NH3+])CCN(C)c1nc(C(F)(F)F)ns1 ZINC000228793089 153367946 /nfs/dbraw/zinc/36/79/46/153367946.db2.gz CKNOIAMLJYXMOG-ZETCQYMHSA-N 1 0 282.335 2.367 10 0 CEAERO 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CCOc1ccc(CN2CCC[C@@H]2C[NH3+])cc1F ZINC000262038220 153901126 /nfs/dbraw/zinc/90/11/26/153901126.db2.gz XYHUFYAJUUFUAA-GFCCVEGCSA-N 1 0 252.333 2.148 10 0 CEAERO C[C@H](Nc1ccc(OC(F)F)cn1)[C@H]1CCC[NH2+]C1 ZINC000262316780 153936717 /nfs/dbraw/zinc/93/67/17/153936717.db2.gz ZVJPBGOOYMWZQC-UWVGGRQHSA-N 1 0 271.311 2.483 10 0 CEAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2coc3ccccc23)n1 ZINC000263146654 154024853 /nfs/dbraw/zinc/02/48/53/154024853.db2.gz CUADNAOZSCHLFY-GFCCVEGCSA-N 1 0 284.319 2.059 10 0 CEAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)c1cccc(F)c1F ZINC000282484023 154161894 /nfs/dbraw/zinc/16/18/94/154161894.db2.gz XAXZMZCAPKTKLG-AUTRQRHGSA-N 1 0 268.307 2.283 10 0 CEAERO C[C@@H](C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C)N1CCOCC1 ZINC000247037283 286879086 /nfs/dbraw/zinc/87/90/86/286879086.db2.gz MOZSZTFDYNLVEQ-LJISPDSOSA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@H](NC(=O)[C@H](C)C1C[NH2+]C1)c1cccs1 ZINC000164453568 162333571 /nfs/dbraw/zinc/33/35/71/162333571.db2.gz VYDFRBTYBCIZAQ-KOLCDFICSA-N 1 0 252.383 2.171 10 0 CEAERO CC(C)N(Cc1cccs1)C(=O)[C@H](C)C1C[NH2+]C1 ZINC000164447618 162335037 /nfs/dbraw/zinc/33/50/37/162335037.db2.gz HQUJEPQKLXRHRR-LLVKDONJSA-N 1 0 266.410 2.341 10 0 CEAERO COc1ccc(CN2CC[C@@H]([NH3+])[C@H]2C)cc1Br ZINC000261547626 162543860 /nfs/dbraw/zinc/54/38/60/162543860.db2.gz IHKGHTSCDOSBCH-BXKDBHETSA-N 1 0 299.212 2.379 10 0 CEAERO C[C@@H]1CN(Cc2cnn(-c3ccc(Cl)cc3)c2)C[C@@H]1[NH3+] ZINC000262125374 162552063 /nfs/dbraw/zinc/55/20/63/162552063.db2.gz XRAGPPSDRVZHFK-ABAIWWIYSA-N 1 0 290.798 2.305 10 0 CEAERO C[C@H]1CN(Cc2cnc(C(C)(C)C)s2)C[C@@H]1[NH3+] ZINC000262112419 162553755 /nfs/dbraw/zinc/55/37/55/162553755.db2.gz WOMBPIYQRGORLT-ONGXEEELSA-N 1 0 253.415 2.220 10 0 CEAERO C[C@@H]([NH2+]CC(F)F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400476604 287016863 /nfs/dbraw/zinc/01/68/63/287016863.db2.gz ZZZSBXWRUAJIMO-NXEZZACHSA-N 1 0 278.343 2.487 10 0 CEAERO CN1Cc2cccc(NC(=O)c3cscn3)c2C1 ZINC000169815561 165038086 /nfs/dbraw/zinc/03/80/86/165038086.db2.gz ZHZADGQTNBNPBP-UHFFFAOYSA-N 1 0 259.334 2.341 10 0 CEAERO C[C@](O)(C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1)c1ccccc1 ZINC000170777157 165042803 /nfs/dbraw/zinc/04/28/03/165042803.db2.gz ZEVIRVVIDMNJFE-YOEHRIQHSA-N 1 0 285.391 2.497 10 0 CEAERO CCC[C@H](C)CS(=O)(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000173885208 165086281 /nfs/dbraw/zinc/08/62/81/165086281.db2.gz DSRPJSRPQOTIGV-MELADBBJSA-N 1 0 290.473 2.071 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccoc1C ZINC000174978647 165121567 /nfs/dbraw/zinc/12/15/67/165121567.db2.gz ZCCJIRVPGUCUAV-CHWSQXEVSA-N 1 0 262.353 2.287 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1noc(C(C)C)n1 ZINC000175043966 165124068 /nfs/dbraw/zinc/12/40/68/165124068.db2.gz LEWWOFNGTBGYKA-QWHCGFSZSA-N 1 0 278.400 2.252 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CCOc1ccc(OC)cc1 ZINC000175333216 165134039 /nfs/dbraw/zinc/13/40/39/165134039.db2.gz FNWCHTBCCAOTIQ-OAHLLOKOSA-N 1 0 292.423 2.490 10 0 CEAERO CCCC[C@@H](CCC)NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000175984123 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CCCCC[C@H](CC)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000180862910 165322621 /nfs/dbraw/zinc/32/26/21/165322621.db2.gz PLODTHQISWELNI-LSDHHAIUSA-N 1 0 284.444 2.382 10 0 CEAERO Cc1cccc(CCC[N@@H+]2CC[C@@H](N3CCOCC3)C2)c1 ZINC000181120956 165331707 /nfs/dbraw/zinc/33/17/07/165331707.db2.gz CDJGYTRUVOPUON-GOSISDBHSA-N 1 0 288.435 2.334 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(O)c1 ZINC000182075154 165363772 /nfs/dbraw/zinc/36/37/72/165363772.db2.gz UVJSHJRWQUXCKZ-HUUCEWRRSA-N 1 0 260.381 2.451 10 0 CEAERO CC(C)[NH2+]CCNS(=O)(=O)c1ccc2ccccc2c1 ZINC000006327815 170191846 /nfs/dbraw/zinc/19/18/46/170191846.db2.gz WOZADZXXSVYVSE-UHFFFAOYSA-N 1 0 292.404 2.116 10 0 CEAERO C[C@@H](C[NH+]1CCCC1)OC(=O)c1ccc2c(c1)OCCO2 ZINC000010002609 170394965 /nfs/dbraw/zinc/39/49/65/170394965.db2.gz LQCYPLYEOMNNJO-LBPRGKRZSA-N 1 0 291.347 2.099 10 0 CEAERO c1ccc2c(c1)C[C@H]([NH2+]CCCOc1cccnc1)CO2 ZINC000019145548 170753751 /nfs/dbraw/zinc/75/37/51/170753751.db2.gz CRCIIRBONJUBSM-HNNXBMFYSA-N 1 0 284.359 2.444 10 0 CEAERO COc1cccc([C@@H]([NH3+])Cn2c3ccccc3oc2=O)c1 ZINC000019271720 170767193 /nfs/dbraw/zinc/76/71/93/170767193.db2.gz GEQWEBKNECMGDJ-ZDUSSCGKSA-N 1 0 284.315 2.303 10 0 CEAERO C[NH+](C)CC(C)(C)CNC(=O)c1ccc(Cl)c(N)c1 ZINC000019275725 170769256 /nfs/dbraw/zinc/76/92/56/170769256.db2.gz ZNIGMRPTEFDLKC-UHFFFAOYSA-N 1 0 283.803 2.240 10 0 CEAERO COc1ccc(C(=O)N(CC[NH3+])C2CCCCC2)cc1 ZINC000020183541 171046738 /nfs/dbraw/zinc/04/67/38/171046738.db2.gz RJBRIAIJWJKMHM-UHFFFAOYSA-N 1 0 276.380 2.429 10 0 CEAERO COc1ccccc1C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000020224545 171087310 /nfs/dbraw/zinc/08/73/10/171087310.db2.gz BPLPXTNBOQEQLE-UHFFFAOYSA-N 1 0 286.331 2.285 10 0 CEAERO CN(C(=O)Cc1ccccc1)c1ccc(C[NH3+])cc1 ZINC000020224977 171087412 /nfs/dbraw/zinc/08/74/12/171087412.db2.gz MVWPYYASEPLPJC-UHFFFAOYSA-N 1 0 254.333 2.351 10 0 CEAERO [NH3+]CCc1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000020224417 171087763 /nfs/dbraw/zinc/08/77/63/171087763.db2.gz NRFCITIEUZDGSK-UHFFFAOYSA-N 1 0 254.333 2.369 10 0 CEAERO COc1ccc(OC)c([C@@H](C[NH3+])N(C)CC2CC2)c1 ZINC000020226464 171091678 /nfs/dbraw/zinc/09/16/78/171091678.db2.gz ZIBKGIVNURRVKX-CQSZACIVSA-N 1 0 264.369 2.045 10 0 CEAERO CCCC(=O)N(CCC[NH3+])c1ccc(F)cc1F ZINC000020234095 171095380 /nfs/dbraw/zinc/09/53/80/171095380.db2.gz KJJVXOQBVVHKPL-UHFFFAOYSA-N 1 0 256.296 2.447 10 0 CEAERO COc1ccc(N(CC[NH3+])C(=O)CC(C)C)cc1 ZINC000020235983 171095961 /nfs/dbraw/zinc/09/59/61/171095961.db2.gz VMPMBUHGJWTMOJ-UHFFFAOYSA-N 1 0 250.342 2.033 10 0 CEAERO COc1cc(N(C)CCC[NH3+])c(OC)cc1Cl ZINC000020239981 171096935 /nfs/dbraw/zinc/09/69/35/171096935.db2.gz KWWUSNJLANUVKZ-UHFFFAOYSA-N 1 0 258.749 2.142 10 0 CEAERO [NH3+][C@@H](COc1ccc2c(c1)OCO2)c1ccccc1 ZINC000020263559 171120653 /nfs/dbraw/zinc/12/06/53/171120653.db2.gz REEXDJKDQZZGDH-ZDUSSCGKSA-N 1 0 257.289 2.494 10 0 CEAERO CN1CC[NH2+]C[C@H]1c1cccc(Br)c1 ZINC000020268360 171124269 /nfs/dbraw/zinc/12/42/69/171124269.db2.gz NGUGKBBVKCAPOC-NSHDSACASA-N 1 0 255.159 2.025 10 0 CEAERO CCC[C@@H](C)NC(=O)[C@H](C)Oc1cccc(C[NH3+])c1 ZINC000020386767 171176825 /nfs/dbraw/zinc/17/68/25/171176825.db2.gz JBGHSTHJYYOWJM-NEPJUHHUSA-N 1 0 264.369 2.217 10 0 CEAERO CC[C@@H]([NH3+])c1ccccc1O[C@@H](C)C(=O)NC1CC1 ZINC000020419918 171185117 /nfs/dbraw/zinc/18/51/17/171185117.db2.gz XEZSRSZESBNOSD-GXFFZTMASA-N 1 0 262.353 2.142 10 0 CEAERO C[C@@H](Oc1cccc([C@H](C)[NH3+])c1)C(=O)N1CCCCC1 ZINC000020419713 171185327 /nfs/dbraw/zinc/18/53/27/171185327.db2.gz IFRDZINXYKIKOT-QWHCGFSZSA-N 1 0 276.380 2.486 10 0 CEAERO CCOC(=O)C[C@H]([NH3+])c1ccccc1OC(F)F ZINC000020577827 171256563 /nfs/dbraw/zinc/25/65/63/171256563.db2.gz ADMSYJJIJTUNTQ-VIFPVBQESA-N 1 0 259.252 2.241 10 0 CEAERO Cc1noc(C(C)C)c1C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000564837294 298853312 /nfs/dbraw/zinc/85/33/12/298853312.db2.gz RMPMPPXDFLKEHE-GFCCVEGCSA-N 1 0 279.384 2.321 10 0 CEAERO C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(F)c(N)c2)C1 ZINC000022154830 171361924 /nfs/dbraw/zinc/36/19/24/171361924.db2.gz VVXXLBAJLXTOHA-NSHDSACASA-N 1 0 279.359 2.468 10 0 CEAERO C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1N ZINC000022155819 171362306 /nfs/dbraw/zinc/36/23/06/171362306.db2.gz BIVRWZSOLCOMTR-GFCCVEGCSA-N 1 0 261.369 2.472 10 0 CEAERO Cc1cccc(NS(=O)(=O)c2ccc(C[NH3+])cc2)c1 ZINC000022209710 171372854 /nfs/dbraw/zinc/37/28/54/171372854.db2.gz ALHOLDLMUVFVNZ-UHFFFAOYSA-N 1 0 276.361 2.255 10 0 CEAERO Nc1cc(NC(=O)CC[NH+]2CCCCC2)ccc1F ZINC000022217523 171376313 /nfs/dbraw/zinc/37/63/13/171376313.db2.gz HMNPYQJPTZEFDT-UHFFFAOYSA-N 1 0 265.332 2.222 10 0 CEAERO CCc1ccc(O[C@H]2CC3(CC[C@H]2[NH3+])OCCO3)cc1 ZINC000022564249 171392083 /nfs/dbraw/zinc/39/20/83/171392083.db2.gz SPRFIDFDCDZUGX-CABCVRRESA-N 1 0 277.364 2.251 10 0 CEAERO c1ccc2c(c1)OC[C@@](C1=[NH+]CCN1)(C1CCCC1)O2 ZINC000026004477 171470224 /nfs/dbraw/zinc/47/02/24/171470224.db2.gz KOJFJNVDBMKHLS-INIZCTEOSA-N 1 0 272.348 2.389 10 0 CEAERO Cc1cc(C)c(C(=O)CSC2=[NH+]CCN2)c(C)c1 ZINC000027299014 171511984 /nfs/dbraw/zinc/51/19/84/171511984.db2.gz ZRSVRSWPUDXUQH-UHFFFAOYSA-N 1 0 262.378 2.487 10 0 CEAERO CCC[NH2+]Cc1c(C)nn(C)c1N(C)[C@H](C)CC ZINC000034825003 171880049 /nfs/dbraw/zinc/88/00/49/171880049.db2.gz OZXZMECUPULUEX-LLVKDONJSA-N 1 0 252.406 2.463 10 0 CEAERO O=C(C[NH2+][C@H]1CCc2ccccc21)N1CCCCC1 ZINC000035180555 172034440 /nfs/dbraw/zinc/03/44/40/172034440.db2.gz MVVWPMUBQMKYDY-HNNXBMFYSA-N 1 0 258.365 2.276 10 0 CEAERO CSc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000035255615 172085492 /nfs/dbraw/zinc/08/54/92/172085492.db2.gz IUCNXGPUOSJIIT-MFKMUULPSA-N 1 0 264.394 2.338 10 0 CEAERO C[NH2+][C@@H](c1cc(OC)ccc1OC)[C@@H]1CCCO1 ZINC000035466741 172214652 /nfs/dbraw/zinc/21/46/52/172214652.db2.gz GEOLBTYJAHCSEG-KBPBESRZSA-N 1 0 251.326 2.143 10 0 CEAERO C[NH2+][C@H](CC(F)(F)F)c1ccc2c(c1)CC(=O)N2C ZINC000035497357 172230764 /nfs/dbraw/zinc/23/07/64/172230764.db2.gz SQTTVBPCMXEBPX-SNVBAGLBSA-N 1 0 272.270 2.418 10 0 CEAERO CCC[NH2+][C@@H](C)c1cccc(S(=O)(=O)NCC)c1 ZINC000035632941 172316655 /nfs/dbraw/zinc/31/66/55/172316655.db2.gz GCNZSNDUDHMGCO-NSHDSACASA-N 1 0 270.398 2.045 10 0 CEAERO CCC[C@H](C)[NH2+][C@H]1CS(=O)(=O)c2ccccc21 ZINC000035688116 172356629 /nfs/dbraw/zinc/35/66/29/172356629.db2.gz PCHUZCABQOPZPG-JQWIXIFHSA-N 1 0 253.367 2.293 10 0 CEAERO CCCCC[NH2+][C@H]1CS(=O)(=O)c2ccccc21 ZINC000035688061 172356996 /nfs/dbraw/zinc/35/69/96/172356996.db2.gz BOZQLBGTWCIYMS-LBPRGKRZSA-N 1 0 253.367 2.295 10 0 CEAERO C[C@@H](NC(=O)c1ccc(F)cc1F)[C@@H]1CCCC[NH2+]1 ZINC000035690746 172359559 /nfs/dbraw/zinc/35/95/59/172359559.db2.gz OZAKIXQPCIUODI-RNCFNFMXSA-N 1 0 268.307 2.225 10 0 CEAERO C[C@H](NC(=O)Cc1ccc(F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000035690805 172359623 /nfs/dbraw/zinc/35/96/23/172359623.db2.gz SNGWRJYYBJPEJZ-FZMZJTMJSA-N 1 0 264.344 2.015 10 0 CEAERO COc1ccc2[nH]c(SC[C@@H](C)C[NH3+])nc2c1 ZINC000035723966 172379294 /nfs/dbraw/zinc/37/92/94/172379294.db2.gz JITKIYLMYBTJHV-QMMMGPOBSA-N 1 0 251.355 2.258 10 0 CEAERO CC(C)[NH2+][C@@H]1C[C@H](C)S(=O)(=O)c2ccccc21 ZINC000035760628 172398795 /nfs/dbraw/zinc/39/87/95/172398795.db2.gz FBZLFVQKXUOOKK-CMPLNLGQSA-N 1 0 253.367 2.292 10 0 CEAERO CC[NH2+][C@H]1CCCS(=O)(=O)c2ccc(F)cc21 ZINC000035761522 172399519 /nfs/dbraw/zinc/39/95/19/172399519.db2.gz TYDZJDJZBIEWIL-NSHDSACASA-N 1 0 257.330 2.044 10 0 CEAERO COc1cc(OC)cc(O[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000036204881 172515814 /nfs/dbraw/zinc/51/58/14/172515814.db2.gz OZPSDECKVRMXOC-KBPBESRZSA-N 1 0 251.326 2.353 10 0 CEAERO C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC000036260663 172553586 /nfs/dbraw/zinc/55/35/86/172553586.db2.gz YSZLZAPQDCUCCF-UPJWGTAASA-N 1 0 250.386 2.214 10 0 CEAERO [NH3+][C@H]1CC[C@@H]2CN(C(=O)Oc3ccccc3)C[C@@H]2C1 ZINC000036263831 172556881 /nfs/dbraw/zinc/55/68/81/172556881.db2.gz WZMGSXXXACHTHE-AGIUHOORSA-N 1 0 260.337 2.245 10 0 CEAERO CCn1cc(Cl)cc1C(=O)NCCC[NH2+]C1CC1 ZINC000036856583 172755339 /nfs/dbraw/zinc/75/53/39/172755339.db2.gz CISLQYDBVKBLNV-UHFFFAOYSA-N 1 0 269.776 2.033 10 0 CEAERO CC(C)C[C@@H]([NH2+]C[C@H]1CC=CCC1)C(=O)N(C)C ZINC000036923611 172806713 /nfs/dbraw/zinc/80/67/13/172806713.db2.gz IXJNZUITRSYURD-UONOGXRCSA-N 1 0 252.402 2.435 10 0 CEAERO CCC1CCC([NH2+][C@]2(C)CCS(=O)(=O)C2)CC1 ZINC000036944321 172819353 /nfs/dbraw/zinc/81/93/53/172819353.db2.gz SINKRDHZAMPEFP-WXRRBKDZSA-N 1 0 259.415 2.122 10 0 CEAERO COc1ccc(NC(=O)CCC[NH3+])c(C(F)(F)F)c1 ZINC000037013236 172871469 /nfs/dbraw/zinc/87/14/69/172871469.db2.gz IXRFKLPJTFOUJP-UHFFFAOYSA-N 1 0 276.258 2.391 10 0 CEAERO [NH3+]C[C@H](N1CCC[C@@H]1c1cccnc1)C(F)(F)F ZINC000037169669 173004347 /nfs/dbraw/zinc/00/43/47/173004347.db2.gz MCFAHMCZPFQUFT-MNOVXSKESA-N 1 0 259.275 2.108 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](c2nc3cc(F)ccc3s2)C1 ZINC000037205131 173027412 /nfs/dbraw/zinc/02/74/12/173027412.db2.gz PWPGGJIZUWAGER-PSASIEDQSA-N 1 0 252.314 2.485 10 0 CEAERO CC[NH2+][C@@H](C)c1ccccc1OCC(=O)N(C)CC ZINC000037223112 173043710 /nfs/dbraw/zinc/04/37/10/173043710.db2.gz FGCLJMWVXJKMEY-LBPRGKRZSA-N 1 0 264.369 2.214 10 0 CEAERO CO[C@H]1CCCC[C@@H]1[NH2+]CCCOC[C@@H]1CCCO1 ZINC000037233937 173053366 /nfs/dbraw/zinc/05/33/66/173053366.db2.gz FECLLNNNTSGNAG-KKUMJFAQSA-N 1 0 271.401 2.119 10 0 CEAERO COC(=O)c1ccccc1C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000037242270 173057735 /nfs/dbraw/zinc/05/77/35/173057735.db2.gz COBIOCBWSZMLED-FZMZJTMJSA-N 1 0 263.337 2.130 10 0 CEAERO C[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(C[NH3+])s2)C1 ZINC000037257126 173067427 /nfs/dbraw/zinc/06/74/27/173067427.db2.gz XRJSVDQZWNIIIV-ZJUUUORDSA-N 1 0 288.438 2.064 10 0 CEAERO CC(C)C[C@H](C)NS(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000037265489 173073972 /nfs/dbraw/zinc/07/39/72/173073972.db2.gz WGXIMKGXGOEVDJ-NWDGAFQWSA-N 1 0 284.425 2.419 10 0 CEAERO CC(C)Oc1ccccc1C[NH2+][C@@H](C)C(=O)N(C)C ZINC000037267615 173078135 /nfs/dbraw/zinc/07/81/35/173078135.db2.gz NXLADKTXVXFGPM-LBPRGKRZSA-N 1 0 264.369 2.040 10 0 CEAERO C[NH2+]C[C@H](O)COc1ccc(Cl)c2ccccc12 ZINC000037364334 173153647 /nfs/dbraw/zinc/15/36/47/173153647.db2.gz UTRAIPVQUHDDTR-JTQLQIEISA-N 1 0 265.740 2.452 10 0 CEAERO CC(C)CC[NH2+]CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000037387705 173171038 /nfs/dbraw/zinc/17/10/38/173171038.db2.gz YXJTXDFZDCNJMW-UHFFFAOYSA-N 1 0 278.352 2.032 10 0 CEAERO COC(C[NH2+]Cc1ccccc1OC(C)C)OC ZINC000037388321 173171708 /nfs/dbraw/zinc/17/17/08/173171708.db2.gz MLJCVPXQPMDZRT-UHFFFAOYSA-N 1 0 253.342 2.182 10 0 CEAERO CCCCOC(=O)CN[C@@H](C)CCC[NH+](CC)CC ZINC000037394133 173174186 /nfs/dbraw/zinc/17/41/86/173174186.db2.gz XDCBICWVVSAIRO-AWEZNQCLSA-N 1 0 272.433 2.430 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)Nc1ccc(Br)cn1 ZINC000037395365 173176200 /nfs/dbraw/zinc/17/62/00/173176200.db2.gz DQKJERIUIBEVJL-MRVPVSSYSA-N 1 0 286.173 2.171 10 0 CEAERO CCn1c2ccc(Br)cc2nc1[C@@H]([NH3+])[C@H](C)O ZINC000037441516 173211620 /nfs/dbraw/zinc/21/16/20/173211620.db2.gz QLXMFGMLERPLPL-CPCISQLKSA-N 1 0 298.184 2.199 10 0 CEAERO CC(C)n1c2cccc(F)c2nc1[C@@H]([NH3+])[C@H](C)O ZINC000037442864 173211999 /nfs/dbraw/zinc/21/19/99/173211999.db2.gz OEECBZDARFRIMI-KWQFWETISA-N 1 0 251.305 2.137 10 0 CEAERO [NH3+][C@@H](Cc1ccccc1Br)c1cnccn1 ZINC000037467108 173226847 /nfs/dbraw/zinc/22/68/47/173226847.db2.gz KHYVEIZSBMSDSM-NSHDSACASA-N 1 0 278.153 2.482 10 0 CEAERO C[N@@H+]1CC[C@@H](CNCc2ccccc2Br)C1 ZINC000037484745 173229482 /nfs/dbraw/zinc/22/94/82/173229482.db2.gz WCYRFKAWLQGHAW-NSHDSACASA-N 1 0 283.213 2.490 10 0 CEAERO COCCN(CCOC)[C@@]1(C[NH3+])C[C@H](C)CC(C)(C)C1 ZINC000037489428 173231054 /nfs/dbraw/zinc/23/10/54/173231054.db2.gz RTCNCEIPGOGQIU-ZBFHGGJFSA-N 1 0 286.460 2.125 10 0 CEAERO CC[C@H](C(=O)N(C)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000037540788 173262537 /nfs/dbraw/zinc/26/25/37/173262537.db2.gz LPKZSADETNGRPF-CABCVRRESA-N 1 0 260.381 2.391 10 0 CEAERO CCCN(C(=O)c1occc1C)[C@H]1CCC[NH2+]C1 ZINC000037541601 173263574 /nfs/dbraw/zinc/26/35/74/173263574.db2.gz MRVFXWDTYPBBGU-LBPRGKRZSA-N 1 0 250.342 2.192 10 0 CEAERO CCCN(C(=O)c1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC000037541619 173263834 /nfs/dbraw/zinc/26/38/34/173263834.db2.gz QFJJTDJKCWACKG-AWEZNQCLSA-N 1 0 264.344 2.430 10 0 CEAERO COc1ccc(C[NH2+][C@@H]2CCC[C@H](O)C2)cc1F ZINC000037758155 173682902 /nfs/dbraw/zinc/68/29/02/173682902.db2.gz DAHKYIBIWJHHQA-NEPJUHHUSA-N 1 0 253.317 2.227 10 0 CEAERO COc1ccccc1[C@H]([NH2+]C1CCCCC1)C(N)=O ZINC000037969712 173917906 /nfs/dbraw/zinc/91/79/06/173917906.db2.gz DHWNSBIIBNUIDE-AWEZNQCLSA-N 1 0 262.353 2.144 10 0 CEAERO COc1ccc(CC[C@@H](C)[NH2+]Cc2nc(C)no2)cc1 ZINC000038034054 174032466 /nfs/dbraw/zinc/03/24/66/174032466.db2.gz FIEWDCXBKCPDIC-LLVKDONJSA-N 1 0 275.352 2.498 10 0 CEAERO CCCCC[C@@H](C)NC(=O)[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000038043221 174050317 /nfs/dbraw/zinc/05/03/17/174050317.db2.gz BQAGNTVHVKUTRV-ZBFHGGJFSA-N 1 0 295.471 2.288 10 0 CEAERO CCn1c(C[NH2+][C@@H]2CCC[C@@H](O)C2)nc2ccccc21 ZINC000038046840 174056025 /nfs/dbraw/zinc/05/60/25/174056025.db2.gz IJQFWKJZEICZEN-CHWSQXEVSA-N 1 0 273.380 2.449 10 0 CEAERO CCn1cc(Cl)cc1C(=O)N[C@H]1CCCC[C@H]1[NH3+] ZINC000038048527 174059550 /nfs/dbraw/zinc/05/95/50/174059550.db2.gz OOYNYMWKBLVKAV-MNOVXSKESA-N 1 0 269.776 2.161 10 0 CEAERO COC(=O)C[C@H]([NH3+])c1ccc(OC)c(Br)c1 ZINC000038052373 174063859 /nfs/dbraw/zinc/06/38/59/174063859.db2.gz IYVWGBFPKXXSJG-VIFPVBQESA-N 1 0 288.141 2.021 10 0 CEAERO [NH3+]Cc1cccc(OCCn2cc(Br)cn2)c1 ZINC000038054134 174065665 /nfs/dbraw/zinc/06/56/65/174065665.db2.gz XUVKQRXKCCEXLM-UHFFFAOYSA-N 1 0 296.168 2.183 10 0 CEAERO CC[C@@H](C)[NH2+][C@H](C(N)=O)c1ccc(OC(C)C)cc1 ZINC000038065142 174076084 /nfs/dbraw/zinc/07/60/84/174076084.db2.gz ZIHIMHYSSUIQGW-RISCZKNCSA-N 1 0 264.369 2.388 10 0 CEAERO CC[C@H](C)[NH2+][C@](C)(C(N)=O)c1cc(C)ccc1OC ZINC000038065609 174076533 /nfs/dbraw/zinc/07/65/33/174076533.db2.gz ACORVHKKNNGZGT-NHYWBVRUSA-N 1 0 264.369 2.092 10 0 CEAERO COc1ccc([C@@H]([NH3+])Cc2ncc[nH]2)cc1Br ZINC000038074060 174083908 /nfs/dbraw/zinc/08/39/08/174083908.db2.gz LLNZMFOYHSNRNE-JTQLQIEISA-N 1 0 296.168 2.423 10 0 CEAERO COc1ccc(C2CC([NH2+]C[C@@H](C)N(C)C)C2)cc1 ZINC000038087768 174100607 /nfs/dbraw/zinc/10/06/07/174100607.db2.gz KMMSIFNOCLFUBG-LRVUVFPRSA-N 1 0 262.397 2.481 10 0 CEAERO CCCS(=O)(=O)c1ccc(NC[C@H](C)[NH+](C)C)cc1 ZINC000038089083 174102366 /nfs/dbraw/zinc/10/23/66/174102366.db2.gz NTUQHEJLGIQDED-LBPRGKRZSA-N 1 0 284.425 2.232 10 0 CEAERO CCN1C(=O)C[C@@H]([NH2+][C@H](C)c2cccc(Cl)c2)C1=O ZINC000038092302 174106026 /nfs/dbraw/zinc/10/60/26/174106026.db2.gz RKSVRWVUTIMRNV-BXKDBHETSA-N 1 0 280.755 2.138 10 0 CEAERO CC[NH+]1CCC(NC(=O)c2ccc(Cl)c(N)c2)CC1 ZINC000038098289 174113519 /nfs/dbraw/zinc/11/35/19/174113519.db2.gz NDDLTVMRVCJZFB-UHFFFAOYSA-N 1 0 281.787 2.136 10 0 CEAERO CCOC(=O)[C@]12CC[C@H](C[N@H+](Cc3ccccc3)C1)C2=O ZINC000038342220 174140416 /nfs/dbraw/zinc/14/04/16/174140416.db2.gz ULMIQDSAACVGII-RHSMWYFYSA-N 1 0 287.359 2.031 10 0 CEAERO CCC[C@@H]1CN(C(=O)OCc2ccccc2)CC[NH2+]1 ZINC000039952243 174176993 /nfs/dbraw/zinc/17/69/93/174176993.db2.gz LZKIDRNIHSEQGN-CQSZACIVSA-N 1 0 262.353 2.397 10 0 CEAERO CSCC[C@H]([NH3+])C(=O)N(CC(C)C)CC(F)(F)F ZINC000040467913 174276241 /nfs/dbraw/zinc/27/62/41/174276241.db2.gz CLEWMMGJRKCXHR-VIFPVBQESA-N 1 0 286.363 2.114 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000040491255 174292404 /nfs/dbraw/zinc/29/24/04/174292404.db2.gz WATNMFWNPGVNCL-JRPNMDOOSA-N 1 0 294.395 2.254 10 0 CEAERO O=C([C@H]1CCC[NH2+]C1)N(Cc1ccsc1)C1CC1 ZINC000040492060 174292839 /nfs/dbraw/zinc/29/28/39/174292839.db2.gz XPULSBUEOOTETQ-LBPRGKRZSA-N 1 0 264.394 2.239 10 0 CEAERO C[C@@H]([NH3+])c1cccc(S(=O)(=O)NCC(C)(C)C)c1 ZINC000040495021 174293659 /nfs/dbraw/zinc/29/36/59/174293659.db2.gz WEEMWYVQBRTDRG-SNVBAGLBSA-N 1 0 270.398 2.031 10 0 CEAERO CCCCOCC[NH2+]C[C@H](O)COCCCC(C)C ZINC000040507163 174302865 /nfs/dbraw/zinc/30/28/65/174302865.db2.gz OFIMYRPADLWPDJ-HNNXBMFYSA-N 1 0 275.433 2.206 10 0 CEAERO Cc1cc(C)c(C[NH3+])c(N(C)Cc2cccnc2)n1 ZINC000040509445 174303424 /nfs/dbraw/zinc/30/34/24/174303424.db2.gz AQFYXUPOXRRIKY-UHFFFAOYSA-N 1 0 256.353 2.189 10 0 CEAERO Cc1nc(C)c([C@@H](C)NC(=O)CC[NH2+]C2CC2)s1 ZINC000040519114 174308609 /nfs/dbraw/zinc/30/86/09/174308609.db2.gz SKAWGRXSJHWWRR-SECBINFHSA-N 1 0 267.398 2.079 10 0 CEAERO CC1CC[NH+]([C@@H](CNC(=O)N(C)C)c2ccco2)CC1 ZINC000040614789 174353571 /nfs/dbraw/zinc/35/35/71/174353571.db2.gz ACJVNPJAEVABPM-ZDUSSCGKSA-N 1 0 279.384 2.324 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000040629908 174357800 /nfs/dbraw/zinc/35/78/00/174357800.db2.gz MRYBSHBHHUISQN-KWQFWETISA-N 1 0 288.269 2.021 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccccc2C(C)C)C1 ZINC000040630080 174357914 /nfs/dbraw/zinc/35/79/14/174357914.db2.gz CDEKXQUWXJALSG-BXUZGUMPSA-N 1 0 262.353 2.125 10 0 CEAERO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccccc2C(C)C)C1 ZINC000040630076 174357966 /nfs/dbraw/zinc/35/79/66/174357966.db2.gz CDEKXQUWXJALSG-SMDDNHRTSA-N 1 0 262.353 2.125 10 0 CEAERO CCN(C(=O)[C@H]1C[C@H](OC)C[NH2+]1)[C@@H](C)c1ccc(F)cc1 ZINC000040635954 174361411 /nfs/dbraw/zinc/36/14/11/174361411.db2.gz STBWAAHGVABIAI-TUKIKUTGSA-N 1 0 294.370 2.112 10 0 CEAERO COc1cc([C@@H](C)[NH2+][C@H]2CCCN(C)C2)ccc1O ZINC000040672154 174370289 /nfs/dbraw/zinc/37/02/89/174370289.db2.gz FVBFYQZIJNXGAW-YPMHNXCESA-N 1 0 264.369 2.146 10 0 CEAERO CSc1ccc([C@@H](C)[NH2+]C(C)(C)C(N)=O)cc1 ZINC000040674312 174372789 /nfs/dbraw/zinc/37/27/89/174372789.db2.gz ATZYZDIQSXEYJC-SECBINFHSA-N 1 0 252.383 2.323 10 0 CEAERO CCOC1CCN([C@@]2(C[NH3+])CCc3ccccc3C2)CC1 ZINC000040678601 174374978 /nfs/dbraw/zinc/37/49/78/174374978.db2.gz YBULYOLKYBRXDH-SFHVURJKSA-N 1 0 288.435 2.374 10 0 CEAERO CCOC1CCN(C[C@H]([NH3+])c2cccc(OC)c2)CC1 ZINC000040689280 174376288 /nfs/dbraw/zinc/37/62/88/174376288.db2.gz FZPHRVKZJHZYMU-INIZCTEOSA-N 1 0 278.396 2.196 10 0 CEAERO CCOC1CCN(C[C@H]([NH3+])c2ccc(C)cc2)CC1 ZINC000040689292 174376555 /nfs/dbraw/zinc/37/65/55/174376555.db2.gz UZWNEIOSYFNDIN-INIZCTEOSA-N 1 0 262.397 2.496 10 0 CEAERO O=C1CCC[C@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000040694267 174377946 /nfs/dbraw/zinc/37/79/46/174377946.db2.gz LGUPSTLEYIGVSB-CQSZACIVSA-N 1 0 250.386 2.058 10 0 CEAERO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(F)c(N)c2)C1 ZINC000040716874 174384131 /nfs/dbraw/zinc/38/41/31/174384131.db2.gz PQRQGPKZNZGNLH-SNVBAGLBSA-N 1 0 265.332 2.078 10 0 CEAERO Cc1cc(=O)n(C[C@H]([NH3+])c2ccc(OC(C)C)cc2)cn1 ZINC000040728068 174387689 /nfs/dbraw/zinc/38/76/89/174387689.db2.gz PLAGKOIYNAECMB-HNNXBMFYSA-N 1 0 287.363 2.039 10 0 CEAERO [NH3+]Cc1cccc(NC(=O)NCCc2ccc(O)cc2)c1 ZINC000040737282 174389707 /nfs/dbraw/zinc/38/97/07/174389707.db2.gz QRFOVSNUJWPYQM-UHFFFAOYSA-N 1 0 285.347 2.215 10 0 CEAERO Cc1cc(C)c([C@@H]([NH3+])CN2C(=O)C[C@H](C)C2=O)c(C)c1 ZINC000040739890 174390524 /nfs/dbraw/zinc/39/05/24/174390524.db2.gz IRFRLQHCYBEWTL-STQMWFEESA-N 1 0 274.364 2.007 10 0 CEAERO CC(C)c1ccc([C@@H]([NH3+])CN2C(=O)C[C@@H](C)C2=O)cc1 ZINC000040739741 174390548 /nfs/dbraw/zinc/39/05/48/174390548.db2.gz YPOLOXMLOVVNHE-RISCZKNCSA-N 1 0 274.364 2.205 10 0 CEAERO CCN(Cc1nc(C)c(C)o1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748232 174393120 /nfs/dbraw/zinc/39/31/20/174393120.db2.gz VCTODEVEBBISRC-PBWFPOADSA-N 1 0 263.385 2.396 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccccc1 ZINC000040749646 174394373 /nfs/dbraw/zinc/39/43/73/174394373.db2.gz XRHXTVICQMIGJO-GOOCMWNKSA-N 1 0 258.365 2.100 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(F)cc1F ZINC000040749773 174394402 /nfs/dbraw/zinc/39/44/02/174394402.db2.gz CFTFMCXQXYSSHT-FGWVZKOKSA-N 1 0 281.306 2.451 10 0 CEAERO CN(C)Nc1[nH+]cnc(Nc2ccc(Cl)cc2)c1N ZINC000040759962 174396694 /nfs/dbraw/zinc/39/66/94/174396694.db2.gz VATHIULMJHYBAR-UHFFFAOYSA-N 1 0 278.747 2.344 10 0 CEAERO NNc1[nH+]cnc(Nc2cccc3ccccc32)c1N ZINC000040758919 174396827 /nfs/dbraw/zinc/39/68/27/174396827.db2.gz PSKXLWWWOZABSU-UHFFFAOYSA-N 1 0 266.308 2.241 10 0 CEAERO CC(C)C[C@@H]([NH3+])C(=O)Nc1cccc(-c2nnco2)c1 ZINC000040829076 174411562 /nfs/dbraw/zinc/41/15/62/174411562.db2.gz IMEMRJCLDQTMNZ-GFCCVEGCSA-N 1 0 274.324 2.049 10 0 CEAERO CC(C)[C@@H](CNC(=O)c1cc(F)ccc1N)[NH+]1CCCC1 ZINC000040831143 174412741 /nfs/dbraw/zinc/41/27/41/174412741.db2.gz KHKOJGRHVIDICN-OAHLLOKOSA-N 1 0 293.386 2.258 10 0 CEAERO CCOC(=O)c1c(C)c(C)sc1NC(=O)CCC[NH2+]C ZINC000040851693 174420679 /nfs/dbraw/zinc/42/06/79/174420679.db2.gz UOVNAIJAXVISNO-UHFFFAOYSA-N 1 0 298.408 2.480 10 0 CEAERO CC[C@H]([NH3+])Cc1ccc(OC)cc1OCCn1ccnc1 ZINC000040905445 174430994 /nfs/dbraw/zinc/43/09/94/174430994.db2.gz NNYISONYYTUDOA-AWEZNQCLSA-N 1 0 289.379 2.251 10 0 CEAERO Cc1ccc(NC(=O)[C@H]2CC[NH2+]C2)c2cccnc12 ZINC000062114110 414761163 /nfs/dbraw/zinc/76/11/63/414761163.db2.gz DICGPHAROQEFIS-NSHDSACASA-N 1 0 255.321 2.091 10 0 CEAERO C[C@H]1CCCC[C@]1([NH3+])C(=O)OC[C@@H]1CCCCO1 ZINC000041038393 174461494 /nfs/dbraw/zinc/46/14/94/174461494.db2.gz SONIFJUFWQZVKE-SGMGOOAPSA-N 1 0 255.358 2.006 10 0 CEAERO CC(C)([NH3+])c1cn(Cc2csc(-c3ccco3)n2)nn1 ZINC000070117902 414765959 /nfs/dbraw/zinc/76/59/59/414765959.db2.gz DPYQSQQJMPISIJ-UHFFFAOYSA-N 1 0 289.364 2.237 10 0 CEAERO CC(C)c1ccc(CN2CC[C@H]3OCC[NH2+][C@H]3C2)cc1 ZINC000404061565 414772223 /nfs/dbraw/zinc/77/22/23/414772223.db2.gz DFCNHXMNXGVCCG-DLBZAZTESA-N 1 0 274.408 2.373 10 0 CEAERO CCC[C@@H]([NH3+])c1noc(-c2cccc3c2OCCO3)n1 ZINC000041122699 174487642 /nfs/dbraw/zinc/48/76/42/174487642.db2.gz LVIJIRBGSIDGHH-SNVBAGLBSA-N 1 0 275.308 2.308 10 0 CEAERO C[NH2+]Cc1ccccc1CNc1nnc(C(F)F)s1 ZINC000404515336 414787242 /nfs/dbraw/zinc/78/72/42/414787242.db2.gz IPTNHUOPSULADS-UHFFFAOYSA-N 1 0 284.335 2.229 10 0 CEAERO Cc1oncc1-c1nc([C@]2([NH3+])CCC[C@H](C)C2)no1 ZINC000041154203 174500213 /nfs/dbraw/zinc/50/02/13/174500213.db2.gz XETYJEXZDWIDIT-SDBXPKJASA-N 1 0 262.313 2.397 10 0 CEAERO COc1ccc(OCc2csc(C[NH3+])n2)cc1 ZINC000041306047 174515122 /nfs/dbraw/zinc/51/51/22/174515122.db2.gz CVCVUHOYIQOVRO-UHFFFAOYSA-N 1 0 250.323 2.189 10 0 CEAERO CC[C@@H]1CN(c2ncnc3sccc32)CC[C@@H]1[NH3+] ZINC000123029613 414791044 /nfs/dbraw/zinc/79/10/44/414791044.db2.gz SFVXKJLHXAJYOY-KOLCDFICSA-N 1 0 262.382 2.255 10 0 CEAERO CCCc1nsc(N2CC[C@H]([NH3+])[C@H](CC)C2)n1 ZINC000123021783 414791884 /nfs/dbraw/zinc/79/18/84/414791884.db2.gz DKXTTZOXRHRGIM-ZJUUUORDSA-N 1 0 254.403 2.054 10 0 CEAERO Cc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000126433025 414801024 /nfs/dbraw/zinc/80/10/24/414801024.db2.gz MSZBBMMGRVJINQ-ZNMIVQPWSA-N 1 0 290.407 2.329 10 0 CEAERO CSc1ccc(C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)cc1 ZINC000662978402 414817001 /nfs/dbraw/zinc/81/70/01/414817001.db2.gz PBRJWBIEPAIANZ-JTQLQIEISA-N 1 0 292.326 2.370 10 0 CEAERO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)CO1 ZINC000657298641 414842604 /nfs/dbraw/zinc/84/26/04/414842604.db2.gz WJTGKHFRIPUOIP-IACUBPJLSA-N 1 0 297.420 2.308 10 0 CEAERO C[NH2+][C@H](C)c1cccc(NC(=O)N2CCO[C@H](C)C2)c1 ZINC000041709236 174611993 /nfs/dbraw/zinc/61/19/93/174611993.db2.gz KIDACECSJVKRQE-VXGBXAGGSA-N 1 0 277.368 2.220 10 0 CEAERO CN(CCC1CC[NH2+]CC1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000042174846 174652504 /nfs/dbraw/zinc/65/25/04/174652504.db2.gz LJDNEXGGYSZJOQ-RRFJBIMHSA-N 1 0 264.413 2.271 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc2ccncc2c1 ZINC000653052729 414886620 /nfs/dbraw/zinc/88/66/20/414886620.db2.gz KPHPWVMBIUYSNC-ZFWWWQNUSA-N 1 0 269.348 2.092 10 0 CEAERO CCC1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CC1 ZINC000653075248 414897695 /nfs/dbraw/zinc/89/76/95/414897695.db2.gz KWRHPOUUCLIGGT-GHMZBOCLSA-N 1 0 278.318 2.033 10 0 CEAERO CCC[C@H](CC)NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653081152 414899123 /nfs/dbraw/zinc/89/91/23/414899123.db2.gz DJSVTDNUORFLSK-IVZWLZJFSA-N 1 0 266.307 2.079 10 0 CEAERO C[NH2+][C@H](C)c1ccccc1N(CCCOC)CCOC ZINC000042422824 174722626 /nfs/dbraw/zinc/72/26/26/174722626.db2.gz ZUBKOSMGAXGVNZ-CQSZACIVSA-N 1 0 280.412 2.456 10 0 CEAERO C[NH2+]C[C@H](C)Nc1nccc(C)c1Br ZINC000663278398 414903052 /nfs/dbraw/zinc/90/30/52/414903052.db2.gz HNQWBPDWCXURHC-QMMMGPOBSA-N 1 0 258.163 2.172 10 0 CEAERO O=C([C@@H]1C[NH2+]C[C@H]1C(F)(F)F)N1CCC[C@@H]2CCC[C@H]21 ZINC000653447100 414996346 /nfs/dbraw/zinc/99/63/46/414996346.db2.gz KDMSMLVYXLFQSX-IRCOFANPSA-N 1 0 290.329 2.175 10 0 CEAERO CC1=C[C@H](C)C[C@@H](C[NH2+]C[C@@H]2CC(=O)N(C)C2)C1 ZINC000657695453 415050455 /nfs/dbraw/zinc/05/04/55/415050455.db2.gz LZRSAPCIBPFKBF-YUTCNCBUSA-N 1 0 250.386 2.047 10 0 CEAERO CN1C[C@@H](C[NH2+]CC(C)(C)c2ccccc2)CC1=O ZINC000657696291 415051076 /nfs/dbraw/zinc/05/10/76/415051076.db2.gz UHPFTMSLDMROMK-CYBMUJFWSA-N 1 0 260.381 2.032 10 0 CEAERO CCC(CC)N(CCOC)C(=O)C[C@H]1CCCC[NH2+]1 ZINC000042681616 174836450 /nfs/dbraw/zinc/83/64/50/174836450.db2.gz UFDCZHGHXWXOJR-CYBMUJFWSA-N 1 0 270.417 2.182 10 0 CEAERO COC(=O)CCCN(C)C(=O)Nc1cccc([C@@H](C)[NH3+])c1 ZINC000042728499 174858313 /nfs/dbraw/zinc/85/83/13/174858313.db2.gz HJZZXBQEHBMWAD-LLVKDONJSA-N 1 0 293.367 2.123 10 0 CEAERO CC(C)CN(CC[NH+](C)C)c1cccc(F)c1N ZINC000042740804 174862801 /nfs/dbraw/zinc/86/28/01/174862801.db2.gz DFWXFWQNRNCTJL-UHFFFAOYSA-N 1 0 253.365 2.432 10 0 CEAERO Cc1c(C[NH2+]C[C@@H]2CCN2Cc2ccccc2)cnn1C ZINC000657806284 415086309 /nfs/dbraw/zinc/08/63/09/415086309.db2.gz CQOAIYBFLRLCAX-KRWDZBQOSA-N 1 0 284.407 2.093 10 0 CEAERO COc1ccc(C[NH2+]C2CC(CO)C2)c(Cl)c1OC ZINC000657812300 415089796 /nfs/dbraw/zinc/08/97/96/415089796.db2.gz GXYWSBLATRPBQJ-UHFFFAOYSA-N 1 0 285.771 2.218 10 0 CEAERO CC(C)OCCOC[C@@H](O)C[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000042861206 174893501 /nfs/dbraw/zinc/89/35/01/174893501.db2.gz QEDZPBKUWCJDLJ-XHSDSOJGSA-N 1 0 287.444 2.205 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc2c(cc1OC[C@H]1CCOC1)OCO2 ZINC000042878869 174901680 /nfs/dbraw/zinc/90/16/80/174901680.db2.gz DTYDGUKPJSSGMR-WCQYABFASA-N 1 0 293.363 2.110 10 0 CEAERO C[C@@H]([NH3+])[C@@H](Oc1ccccc1C(N)=O)c1cccc(F)c1 ZINC000042973850 174937271 /nfs/dbraw/zinc/93/72/71/174937271.db2.gz HGNIAYKNXJNSGJ-MEBBXXQBSA-N 1 0 288.322 2.392 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1nncn1C)c1ccccc1OC ZINC000043101066 174967770 /nfs/dbraw/zinc/96/77/70/174967770.db2.gz QLTJZLSHVCTEPX-WCQYABFASA-N 1 0 292.408 2.394 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1cnn(C)c1)N(C)Cc1ccoc1C ZINC000043128836 174979965 /nfs/dbraw/zinc/97/99/65/174979965.db2.gz PDLNTBVWPBOTAA-LSDHHAIUSA-N 1 0 276.384 2.232 10 0 CEAERO [NH3+]Cc1ccc(-n2ccc(C(F)(F)F)n2)c(F)c1 ZINC000043298016 174999260 /nfs/dbraw/zinc/99/92/60/174999260.db2.gz CVBZKIOCQRTIOW-UHFFFAOYSA-N 1 0 259.206 2.489 10 0 CEAERO C[NH2+][C@@H](c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300261 175001217 /nfs/dbraw/zinc/00/12/17/175001217.db2.gz POEOQSUZTHXCNW-PWSUYJOCSA-N 1 0 273.785 2.035 10 0 CEAERO C[NH2+][C@H](c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000043300570 175001317 /nfs/dbraw/zinc/00/13/17/175001317.db2.gz STVPDQXMMCBIIC-SKDRFNHKSA-N 1 0 273.785 2.035 10 0 CEAERO CC[NH2+][C@H](c1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043300824 175001507 /nfs/dbraw/zinc/00/15/07/175001507.db2.gz WABGGBONWWRVRT-GXFFZTMASA-N 1 0 289.347 2.050 10 0 CEAERO COCCCN(CCOC)[C@H](C[NH3+])c1cccc(C)c1C ZINC000043314991 175004560 /nfs/dbraw/zinc/00/45/60/175004560.db2.gz KJZUCKURUYLHJB-QGZVFWFLSA-N 1 0 294.439 2.288 10 0 CEAERO COc1ccc(Cl)c(NC(=O)C[C@H]2CCC[NH2+]2)c1 ZINC000043318673 175005435 /nfs/dbraw/zinc/00/54/35/175005435.db2.gz IGVTYBBRWRUMTR-SECBINFHSA-N 1 0 268.744 2.429 10 0 CEAERO COC(=O)c1ccc(Cl)cc1N[C@@H]1CCC[NH2+]C1 ZINC000043325940 175007381 /nfs/dbraw/zinc/00/73/81/175007381.db2.gz SROMKDYKVIORIB-SNVBAGLBSA-N 1 0 268.744 2.291 10 0 CEAERO CCOc1cc(N[C@H]2CCC[NH2+]C2)ccc1OC ZINC000043326662 175008045 /nfs/dbraw/zinc/00/80/45/175008045.db2.gz FZKUOFCUPCGDAF-LBPRGKRZSA-N 1 0 250.342 2.258 10 0 CEAERO CCOc1ccc(N[C@@H]2CCC[NH2+]C2)cc1OC ZINC000043326443 175008112 /nfs/dbraw/zinc/00/81/12/175008112.db2.gz ADOBXKPNOJVLHW-GFCCVEGCSA-N 1 0 250.342 2.258 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccco1)N(C)Cc1cc(C)on1 ZINC000043335288 175010910 /nfs/dbraw/zinc/01/09/10/175010910.db2.gz JRZVRSGBBJKGCB-TZMCWYRMSA-N 1 0 263.341 2.486 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccco1)N1CCOC(C)(C)C1 ZINC000043335315 175011368 /nfs/dbraw/zinc/01/13/68/175011368.db2.gz MASJFWGIAUTZLC-DGCLKSJQSA-N 1 0 252.358 2.169 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccco1)N(CCOC)[C@@H](C)COC ZINC000043336208 175011924 /nfs/dbraw/zinc/01/19/24/175011924.db2.gz CMPPHGYFZYMJFC-GUTXKFCHSA-N 1 0 284.400 2.041 10 0 CEAERO C[C@H]([NH3+])[C@H](Oc1ccc2c(c1)OCO2)c1ccco1 ZINC000043337395 175012525 /nfs/dbraw/zinc/01/25/25/175012525.db2.gz BIAKIBKSKBWCEB-XPTSAGLGSA-N 1 0 261.277 2.476 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccco1)n1nnc(-c2ccccc2)n1 ZINC000043336430 175012661 /nfs/dbraw/zinc/01/26/61/175012661.db2.gz USCCUELLZFMUPM-TZMCWYRMSA-N 1 0 283.335 2.260 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccccn1)N(C)Cc1ccccn1 ZINC000043339267 175013732 /nfs/dbraw/zinc/01/37/32/175013732.db2.gz CMAQNWPNRDYRCT-HOCLYGCPSA-N 1 0 270.380 2.387 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1nccn1C)c1ccccn1 ZINC000043344184 175016397 /nfs/dbraw/zinc/01/63/97/175016397.db2.gz FFYRFDIJASERJE-PWSUYJOCSA-N 1 0 262.382 2.386 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1ncccn1)c1ccccn1 ZINC000043344709 175016403 /nfs/dbraw/zinc/01/64/03/175016403.db2.gz GXDGTPJHSGZUPW-ZYHUDNBSSA-N 1 0 260.366 2.442 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1cnn(C)c1)c1ccccn1 ZINC000043345366 175016881 /nfs/dbraw/zinc/01/68/81/175016881.db2.gz LRJNEGIBWQCKFW-WCQYABFASA-N 1 0 262.382 2.386 10 0 CEAERO CCN(Cc1ccncc1)[C@H](c1cccnc1)[C@@H](C)[NH3+] ZINC000043347738 175017807 /nfs/dbraw/zinc/01/78/07/175017807.db2.gz CMMPPQVXEBSPCA-CJNGLKHVSA-N 1 0 270.380 2.387 10 0 CEAERO C[C@@H]([NH3+])[C@@H](OC[C@@H]1CCCCO1)c1cccnc1 ZINC000043350303 175019204 /nfs/dbraw/zinc/01/92/04/175019204.db2.gz XISNSHXFEKNPNO-KWCYVHTRSA-N 1 0 250.342 2.056 10 0 CEAERO CCC(CC)N(CCO)[C@@H](c1ccncc1)[C@H]([NH3+])CC ZINC000043354607 175022359 /nfs/dbraw/zinc/02/23/59/175022359.db2.gz VWEMRSTVOURIAY-CVEARBPZSA-N 1 0 279.428 2.343 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccncc1)n1cc(Cl)cn1 ZINC000043354975 175022952 /nfs/dbraw/zinc/02/29/52/175022952.db2.gz AWPDORGZUBWADW-NWDGAFQWSA-N 1 0 250.733 2.258 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccncc1)n1cc(Cl)cn1 ZINC000043354978 175023078 /nfs/dbraw/zinc/02/30/78/175023078.db2.gz AWPDORGZUBWADW-NEPJUHHUSA-N 1 0 250.733 2.258 10 0 CEAERO Cc1ccc([C@H]([C@H](C)[NH3+])N2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000043363673 175024059 /nfs/dbraw/zinc/02/40/59/175024059.db2.gz ZPGUZNUGBZIOPP-OPDFLTKYSA-N 1 0 252.358 2.086 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1nnnn1C1CC1)c1ccc(C)o1 ZINC000043367343 175027651 /nfs/dbraw/zinc/02/76/51/175027651.db2.gz LKKAEFBWTXKBTI-JQWIXIFHSA-N 1 0 293.396 2.480 10 0 CEAERO Cc1ccc([C@@H](Sc2nnnn2C2CC2)[C@H](C)[NH3+])o1 ZINC000043367342 175027732 /nfs/dbraw/zinc/02/77/32/175027732.db2.gz BVTALUAVRQMKGM-KWQFWETISA-N 1 0 279.369 2.090 10 0 CEAERO COC(=O)CCS[C@@H](c1ccc(C)o1)[C@H](C)[NH3+] ZINC000043367603 175027787 /nfs/dbraw/zinc/02/77/87/175027787.db2.gz LTCHAMFDDLIKQN-JOYOIKCWSA-N 1 0 257.355 2.273 10 0 CEAERO Cc1ccc(CN(C)[C@H]([C@@H](C)[NH3+])C(F)(F)F)o1 ZINC000043377188 175029965 /nfs/dbraw/zinc/02/99/65/175029965.db2.gz HNKWKXKHMKBNSS-PSASIEDQSA-N 1 0 250.264 2.298 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](N1CCN(C(C)(C)C)CC1)C(F)(F)F ZINC000043378328 175030498 /nfs/dbraw/zinc/03/04/98/175030498.db2.gz LDJMGDXAMDFNEF-GHMZBOCLSA-N 1 0 281.366 2.071 10 0 CEAERO C[C@H]([NH3+])[C@H](N(CC(F)(F)F)C1CC1)C(F)(F)F ZINC000043379265 175030737 /nfs/dbraw/zinc/03/07/37/175030737.db2.gz NMWIHAKEVGLNTR-FSPLSTOPSA-N 1 0 264.213 2.291 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Oc1ccc(CO)cc1)C(F)(F)F ZINC000043385349 175031656 /nfs/dbraw/zinc/03/16/56/175031656.db2.gz DTUHQTBWKKDBEP-WDEREUQCSA-N 1 0 263.259 2.226 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1nncs1)C(F)(F)F ZINC000043385918 175032165 /nfs/dbraw/zinc/03/21/65/175032165.db2.gz FFXNNPIXZVYDMC-CRCLSJGQSA-N 1 0 257.306 2.298 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](c2nc(-c3cc(F)c(F)c(F)c3)no2)C1 ZINC000043391747 175033988 /nfs/dbraw/zinc/03/39/88/175033988.db2.gz KCFUHPXYWBJBEC-XVKPBYJWSA-N 1 0 299.252 2.203 10 0 CEAERO Cc1cc(C)cc([C@H](C[NH3+])N(C)C[C@@H]2CCCO2)c1 ZINC000043394363 175034852 /nfs/dbraw/zinc/03/48/52/175034852.db2.gz USGXGKFAPANIFM-HOTGVXAUSA-N 1 0 262.397 2.414 10 0 CEAERO CC(C)n1c2cccc(F)c2nc1[C@@H]1C[NH2+]CCO1 ZINC000043705119 175099325 /nfs/dbraw/zinc/09/93/25/175099325.db2.gz MCSHUNHRLZAWER-LBPRGKRZSA-N 1 0 263.316 2.417 10 0 CEAERO CCCN(CCC)[C@@H]1CC2(CC[C@@H]1[NH2+]CC)OCCO2 ZINC000043814805 175111443 /nfs/dbraw/zinc/11/14/43/175111443.db2.gz BKFNAWOKNINSOG-LSDHHAIUSA-N 1 0 284.444 2.382 10 0 CEAERO C[NH2+][C@@H]1CCCCC[C@@H]1N(C)CCc1ccccn1 ZINC000043818697 175114044 /nfs/dbraw/zinc/11/40/44/175114044.db2.gz FKBOHABKRFVSIG-CVEARBPZSA-N 1 0 261.413 2.477 10 0 CEAERO CC[NH2+][C@H](CN(C)C1CC1)c1cc(OC)ccc1OC ZINC000043823169 175114616 /nfs/dbraw/zinc/11/46/16/175114616.db2.gz JUQIWXKVALNIMX-OAHLLOKOSA-N 1 0 278.396 2.449 10 0 CEAERO CCC[NH2+][C@H]1CCC2(C[C@H]1N(C)[C@@H](C)CC)OCCO2 ZINC000043887776 175117439 /nfs/dbraw/zinc/11/74/39/175117439.db2.gz XSWPFCQTSMKOLD-SOUVJXGZSA-N 1 0 284.444 2.381 10 0 CEAERO CCC[NH2+][C@@H]1CCC2(C[C@H]1N(C)[C@@H](C)CC)OCCO2 ZINC000043887774 175117841 /nfs/dbraw/zinc/11/78/41/175117841.db2.gz XSWPFCQTSMKOLD-RRFJBIMHSA-N 1 0 284.444 2.381 10 0 CEAERO C[NH2+][C@H](CN1CCC(OC)CC1)c1cccc(OC)c1 ZINC000043889970 175117849 /nfs/dbraw/zinc/11/78/49/175117849.db2.gz UUPWPYCBAZFEFE-MRXNPFEDSA-N 1 0 278.396 2.067 10 0 CEAERO CCC[NH2+][C@H]1CCOC[C@@H]1N(CC)C1CCCC1 ZINC000043890906 175118127 /nfs/dbraw/zinc/11/81/27/175118127.db2.gz BDXARPUKCXZVIC-GJZGRUSLSA-N 1 0 254.418 2.408 10 0 CEAERO CCC[NH2+][C@H]1c2ccccc2C[C@H]1N1CCOC[C@@H]1C ZINC000043891828 175118393 /nfs/dbraw/zinc/11/83/93/175118393.db2.gz ALDQNSSGSXJROF-XKQJLSEDSA-N 1 0 274.408 2.373 10 0 CEAERO CCC[NH2+][C@H]1CCC2(C[C@@H]1N(C)[C@@H](C)C1CC1)OCCO2 ZINC000043895186 175119237 /nfs/dbraw/zinc/11/92/37/175119237.db2.gz DROQSSPVKDRSHR-BPUTZDHNSA-N 1 0 296.455 2.381 10 0 CEAERO C[NH2+][C@@H](c1ccc(OC)cc1)[C@@H](C)N(C)C1CCOCC1 ZINC000043898231 175121015 /nfs/dbraw/zinc/12/10/15/175121015.db2.gz NIEITTJDYXMJLN-CXAGYDPISA-N 1 0 292.423 2.455 10 0 CEAERO CC[NH2+][C@@H](CN(C)C1CCOCC1)c1ccccc1 ZINC000043898336 175121412 /nfs/dbraw/zinc/12/14/12/175121412.db2.gz RUOCKBVPCZOAPQ-INIZCTEOSA-N 1 0 262.397 2.448 10 0 CEAERO CCC[NH2+][C@H]1CCOC[C@@H]1N(C)Cc1ccccc1OC ZINC000043912359 175123545 /nfs/dbraw/zinc/12/35/45/175123545.db2.gz HLUSWHFSLYGIGT-HOTGVXAUSA-N 1 0 292.423 2.284 10 0 CEAERO CC[C@@H]1CO[C@H](C)CN1[C@@H]1CCCCC[C@@H]1[NH2+]C ZINC000043913698 175124151 /nfs/dbraw/zinc/12/41/51/175124151.db2.gz WPNNWBFZNNEBQY-APIJFGDWSA-N 1 0 254.418 2.406 10 0 CEAERO CCC[NH2+][C@H](CN(C)CCOC)c1ccc(OC)cc1 ZINC000043916307 175125075 /nfs/dbraw/zinc/12/50/75/175125075.db2.gz ZIYFJUWXTJDGEW-MRXNPFEDSA-N 1 0 280.412 2.314 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2OC[C@H]1N1CCOCC1(C)C ZINC000043917137 175125522 /nfs/dbraw/zinc/12/55/22/175125522.db2.gz KMDQYBRSZZLHDL-ZBFHGGJFSA-N 1 0 290.407 2.209 10 0 CEAERO CC[NH2+][C@@H]1CCCCC[C@H]1N(C)C[C@@H]1CCCO1 ZINC000043966046 175127003 /nfs/dbraw/zinc/12/70/03/175127003.db2.gz NSCVOAMHKJVSIA-RRFJBIMHSA-N 1 0 254.418 2.408 10 0 CEAERO CCC[NH2+][C@H]1CCC[C@H]1N(C)C[C@@H]1CCCCO1 ZINC000043966681 175127902 /nfs/dbraw/zinc/12/79/02/175127902.db2.gz YNTHSNNBFWCVER-SOUVJXGZSA-N 1 0 254.418 2.408 10 0 CEAERO CCN(C[C@H]([NH2+]C)c1ccccc1)C[C@@H]1CCCO1 ZINC000043966744 175128088 /nfs/dbraw/zinc/12/80/88/175128088.db2.gz XSFQWGXUYQUUJQ-HOTGVXAUSA-N 1 0 262.397 2.448 10 0 CEAERO C[NH2+][C@@H](CN(C)Cc1cnn(C)c1)c1cc(C)ccc1C ZINC000043967174 175128301 /nfs/dbraw/zinc/12/83/01/175128301.db2.gz YJAMXXDCKXEKAG-KRWDZBQOSA-N 1 0 286.423 2.429 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2C[C@H]1N(CC)CCOC ZINC000043968645 175129400 /nfs/dbraw/zinc/12/94/00/175129400.db2.gz SKQXPSFOHZHXED-HZPDHXFCSA-N 1 0 262.397 2.230 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2C[C@@H]1N(CC)CCOC ZINC000043968644 175129526 /nfs/dbraw/zinc/12/95/26/175129526.db2.gz SKQXPSFOHZHXED-HOTGVXAUSA-N 1 0 262.397 2.230 10 0 CEAERO CC[NH2+][C@H]1CCOC[C@@H]1N(C)CC1CCCCC1 ZINC000043968284 175129712 /nfs/dbraw/zinc/12/97/12/175129712.db2.gz BLOUQTBJRFTCFU-GJZGRUSLSA-N 1 0 254.418 2.266 10 0 CEAERO CCCCN(C1CC1)[C@H]1COCC[C@@H]1[NH2+]CCC ZINC000043968188 175129736 /nfs/dbraw/zinc/12/97/36/175129736.db2.gz OHUCTXCTWWWTQZ-GJZGRUSLSA-N 1 0 254.418 2.408 10 0 CEAERO C[NH2+][C@@H](c1ccc(OC)cc1)[C@H](C)N(CCOC)C1CC1 ZINC000043969741 175131460 /nfs/dbraw/zinc/13/14/60/175131460.db2.gz XLSKOIKUTDUIIJ-SUMWQHHRSA-N 1 0 292.423 2.455 10 0 CEAERO C[C@@H]1C[C@@H](C)C[NH+]([C@@H]2COc3ccccc3[C@@H]2O)C1 ZINC000044113779 175141213 /nfs/dbraw/zinc/14/12/13/175141213.db2.gz BTWVWUFBRRLAKJ-NCZKRNLISA-N 1 0 261.365 2.459 10 0 CEAERO CCOc1ccccc1[C@@H](O)C[N@H+](C)C1CCN(C)CC1 ZINC000044121441 175142567 /nfs/dbraw/zinc/14/25/67/175142567.db2.gz XQAXNKMPPSLIHL-INIZCTEOSA-N 1 0 292.423 2.145 10 0 CEAERO Cc1ccc(S(=O)(=O)Oc2ccc(CC[NH3+])cc2)cc1 ZINC000044248599 175156566 /nfs/dbraw/zinc/15/65/66/175156566.db2.gz KHPPRPLNKQZIOG-UHFFFAOYSA-N 1 0 291.372 2.264 10 0 CEAERO CC(C)CNC(=O)COc1ccc2c(c1)CCC[C@@H]2[NH3+] ZINC000044745003 175241486 /nfs/dbraw/zinc/24/14/86/175241486.db2.gz PVPLFGCPHHRJMW-HNNXBMFYSA-N 1 0 276.380 2.174 10 0 CEAERO CC(C)C(=O)NCC[NH2+][C@H]1CCCc2cc(O)ccc21 ZINC000044746851 175242622 /nfs/dbraw/zinc/24/26/22/175242622.db2.gz LKAKAKZRDQLLAJ-HNNXBMFYSA-N 1 0 276.380 2.131 10 0 CEAERO CN1CCC[C@H]([NH2+][C@@H]2CCCc3cc(O)ccc32)C1 ZINC000044747470 175243177 /nfs/dbraw/zinc/24/31/77/175243177.db2.gz BYEWHVNPAKLHPG-XJKSGUPXSA-N 1 0 260.381 2.453 10 0 CEAERO [NH3+]CC1(C(=O)N2CCCC[C@H]2CCO)CCCCCC1 ZINC000044753581 175245870 /nfs/dbraw/zinc/24/58/70/175245870.db2.gz WCNZFSFSFLIBIZ-AWEZNQCLSA-N 1 0 282.428 2.049 10 0 CEAERO [NH3+]CC1(C(=O)Nc2ccc(CCO)cc2)CCCCC1 ZINC000044763198 175247024 /nfs/dbraw/zinc/24/70/24/175247024.db2.gz URKZERNKIIGDQH-UHFFFAOYSA-N 1 0 276.380 2.069 10 0 CEAERO CC(C)[C@H](C[NH3+])C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000044798102 175255260 /nfs/dbraw/zinc/25/52/60/175255260.db2.gz HSYWHCHYJCYLMR-LBPRGKRZSA-N 1 0 278.352 2.017 10 0 CEAERO CC(C)[C@H](C[NH3+])C(=O)Nc1cccc2cnccc21 ZINC000044802597 175256089 /nfs/dbraw/zinc/25/60/89/175256089.db2.gz AUQNHGRYASMSEM-ZDUSSCGKSA-N 1 0 257.337 2.404 10 0 CEAERO CCCN(CC(F)(F)F)C(=O)[C@@H](C[NH3+])C(C)C ZINC000044808177 175256919 /nfs/dbraw/zinc/25/69/19/175256919.db2.gz MUBFAZBLSZHKOT-VIFPVBQESA-N 1 0 254.296 2.018 10 0 CEAERO CCCC[C@@H](CC)C[NH2+][C@@]1(C)CCS(=O)(=O)C1 ZINC000044929928 175280094 /nfs/dbraw/zinc/28/00/94/175280094.db2.gz MTUWWHVHSZWOMM-OLZOCXBDSA-N 1 0 261.431 2.370 10 0 CEAERO CNC(=O)CC[NH2+][C@@H](C)c1cc2cccc(OC)c2o1 ZINC000044988890 175285586 /nfs/dbraw/zinc/28/55/86/175285586.db2.gz BMOOBVRUKAYZHC-JTQLQIEISA-N 1 0 276.336 2.228 10 0 CEAERO CC1(NC(=O)[C@H]([NH3+])Cc2ccccc2)CCCCC1 ZINC000045046940 175296121 /nfs/dbraw/zinc/29/61/21/175296121.db2.gz JSSHBNBWWBWMPX-CQSZACIVSA-N 1 0 260.381 2.395 10 0 CEAERO C[N@H+](CC(=O)Nc1cc(N)ccc1F)CC(C)(C)C ZINC000045064460 175298948 /nfs/dbraw/zinc/29/89/48/175298948.db2.gz RVAZSDXAIZQTNC-UHFFFAOYSA-N 1 0 267.348 2.324 10 0 CEAERO C[C@@H](CC(C)(C)c1ccccc1)[NH2+]CCCS(N)(=O)=O ZINC000045069546 175300572 /nfs/dbraw/zinc/30/05/72/175300572.db2.gz XDICPQSPBGLXKI-ZDUSSCGKSA-N 1 0 298.452 2.011 10 0 CEAERO CCCNC(=O)CC[NH2+][C@H](C)c1scnc1C ZINC000045072907 175302868 /nfs/dbraw/zinc/30/28/68/175302868.db2.gz HHRZHNVNUSLVMI-SECBINFHSA-N 1 0 255.387 2.018 10 0 CEAERO CN(CC(C)(C)C)C(=O)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000045087904 175304411 /nfs/dbraw/zinc/30/44/11/175304411.db2.gz APFYUOCHZKFNAR-FRRDWIJNSA-N 1 0 252.402 2.412 10 0 CEAERO [NH3+]C1(C(=O)N2CCC[C@@H]2C2CCCC2)CCCC1 ZINC000045088366 175304528 /nfs/dbraw/zinc/30/45/28/175304528.db2.gz LAQBPKHPKFSAAR-CYBMUJFWSA-N 1 0 250.386 2.439 10 0 CEAERO CSCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C1CCCC1 ZINC000045088399 175304559 /nfs/dbraw/zinc/30/45/59/175304559.db2.gz YEAASVGQFAWLFF-STQMWFEESA-N 1 0 270.442 2.248 10 0 CEAERO CCC[N@H+](CCOc1ccccc1)CC(N)=S ZINC000045093473 175306795 /nfs/dbraw/zinc/30/67/95/175306795.db2.gz RBRNHBDEJJUKOG-UHFFFAOYSA-N 1 0 252.383 2.064 10 0 CEAERO c1cn(CCCC[NH2+]Cc2ccc3c(c2)OCO3)cn1 ZINC000045094437 175307166 /nfs/dbraw/zinc/30/71/66/175307166.db2.gz YUIDUOOIIGWARR-UHFFFAOYSA-N 1 0 273.336 2.182 10 0 CEAERO CC(C)CCCOC[C@H](O)C[NH2+]CCOCCC(C)C ZINC000045106712 175308006 /nfs/dbraw/zinc/30/80/06/175308006.db2.gz RQAJYOGFLDWJKU-MRXNPFEDSA-N 1 0 289.460 2.452 10 0 CEAERO CC(C)[N@@H+]1CC[C@H](CNc2cc3c(cc2N)OCCO3)C1 ZINC000045118586 175311636 /nfs/dbraw/zinc/31/16/36/175311636.db2.gz MLLBVGCROMANQE-GFCCVEGCSA-N 1 0 291.395 2.182 10 0 CEAERO CCc1n[nH]c(=S)n1C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000045135884 175313304 /nfs/dbraw/zinc/31/33/04/175313304.db2.gz NSNRZXXVYXNIJC-SNVBAGLBSA-N 1 0 254.403 2.233 10 0 CEAERO CC(C)[N@@H+]1CC[C@@H](CN2Cc3cccc(N)c3C2)C1 ZINC000045136407 175313824 /nfs/dbraw/zinc/31/38/24/175313824.db2.gz WQOSUJNAIMSWBR-ZDUSSCGKSA-N 1 0 259.397 2.315 10 0 CEAERO CC(C)[N@@H+]1CC[C@@H](Cn2c(N)cc3ccccc3c2=O)C1 ZINC000045136397 175314025 /nfs/dbraw/zinc/31/40/25/175314025.db2.gz BVYAOZZTFYYLTP-CYBMUJFWSA-N 1 0 285.391 2.314 10 0 CEAERO CC[C@H]([NH3+])c1cccc(S(=O)(=O)N[C@H]2CC2(C)C)c1 ZINC000045138171 175314760 /nfs/dbraw/zinc/31/47/60/175314760.db2.gz BNBPGHXBRXHKGO-STQMWFEESA-N 1 0 282.409 2.173 10 0 CEAERO Cc1nn(C)c(C)c1-c1c[nH]c([C@H]2CCCC[NH2+]2)n1 ZINC000045169343 175319929 /nfs/dbraw/zinc/31/99/29/175319929.db2.gz QEVWXLOLBJYMTN-LLVKDONJSA-N 1 0 259.357 2.242 10 0 CEAERO CCn1nc(C)c(-c2c[nH]c([C@](C)([NH3+])C3CC3)n2)c1C ZINC000045169481 175319985 /nfs/dbraw/zinc/31/99/85/175319985.db2.gz BLYOMONDRMWMCP-OAHLLOKOSA-N 1 0 273.384 2.494 10 0 CEAERO Cc1nn(C)c(C)c1[C@H](C)[NH2+][C@@H](C)c1cnn(C)c1C ZINC000045171321 175320921 /nfs/dbraw/zinc/32/09/21/175320921.db2.gz HLTVBDMDVRQCCD-UWVGGRQHSA-N 1 0 275.400 2.491 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+][C@@H](C)Cn2cccn2)c1C ZINC000045171220 175321059 /nfs/dbraw/zinc/32/10/59/175321059.db2.gz VTRJTEJVVASTRY-NWDGAFQWSA-N 1 0 275.400 2.456 10 0 CEAERO CCC[NH2+][C@@](C)(CCN1c2ccccc2C[C@@H]1C)C(N)=O ZINC000045222712 175330985 /nfs/dbraw/zinc/33/09/85/175330985.db2.gz OVFOJQHXWKGYPD-GUYCJALGSA-N 1 0 289.423 2.071 10 0 CEAERO CCCC[N@H+](C)CC[C@@](C)(NCCC)C(=O)OC ZINC000045222210 175331047 /nfs/dbraw/zinc/33/10/47/175331047.db2.gz ALEPHEUWTIGSAZ-CQSZACIVSA-N 1 0 258.406 2.040 10 0 CEAERO CC[NH2+][C@](C)(CC[NH+]1CCCCCCC1)C(=O)[O-] ZINC000045223722 175331308 /nfs/dbraw/zinc/33/13/08/175331308.db2.gz ORWMOJYBJXRPPR-CQSZACIVSA-N 1 0 256.390 2.095 10 0 CEAERO CCCN[C@@](C)(CC[N@H+](CC)C1CCCCC1)C(N)=O ZINC000045224160 175332368 /nfs/dbraw/zinc/33/23/68/175332368.db2.gz HDMYKAAPRYKBRP-INIZCTEOSA-N 1 0 283.460 2.275 10 0 CEAERO CN[C@@](C[N@@H+]1CCCC[C@@H]1C)(C(=O)OC)c1ccccc1 ZINC000045226873 175333773 /nfs/dbraw/zinc/33/37/73/175333773.db2.gz CGRCSFZKYBHDOI-WMLDXEAASA-N 1 0 290.407 2.149 10 0 CEAERO COC(=O)[C@@](C)(CC[N@H+](C)C1CCCCC1)NC1CC1 ZINC000045231335 175334859 /nfs/dbraw/zinc/33/48/59/175334859.db2.gz YUWRIAMBHMRKDA-MRXNPFEDSA-N 1 0 282.428 2.325 10 0 CEAERO CCN[C@@](C)(CC[NH+]1[C@@H](C)CCC[C@@H]1C)C(=O)OC ZINC000045231924 175335877 /nfs/dbraw/zinc/33/58/77/175335877.db2.gz SGSQGPGTNBRFOV-YDHLFZDLSA-N 1 0 270.417 2.181 10 0 CEAERO CCOC(=O)[C@](C)(CC[N@H+](CC)C(C)C)NC1CC1 ZINC000045265705 175338594 /nfs/dbraw/zinc/33/85/94/175338594.db2.gz JSSVSEGOYKYSHW-HNNXBMFYSA-N 1 0 270.417 2.181 10 0 CEAERO CC(C)[NH2+][C@](C)(CC[N@H+](C)C1CCCC1)C(=O)[O-] ZINC000045266221 175339283 /nfs/dbraw/zinc/33/92/83/175339283.db2.gz RLONCHQOTKTKMJ-CQSZACIVSA-N 1 0 256.390 2.092 10 0 CEAERO CCC[N@H+](CC[C@@](C)(NCC)C(=O)OC)C(C)C ZINC000045266926 175339348 /nfs/dbraw/zinc/33/93/48/175339348.db2.gz ABCXQSINUKPHPP-CQSZACIVSA-N 1 0 258.406 2.038 10 0 CEAERO CCCN[C@@](C)(C[N@H+](CCC)C1CC1)C(=O)OCC ZINC000045267885 175339701 /nfs/dbraw/zinc/33/97/01/175339701.db2.gz KHDRXSCWMDEXTP-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CCOC(=O)[C@](C[N@H+](CC)C1CC1)(NC)c1ccccc1 ZINC000045267067 175339977 /nfs/dbraw/zinc/33/99/77/175339977.db2.gz NJDXBYQRYKXZAS-QGZVFWFLSA-N 1 0 290.407 2.149 10 0 CEAERO CC[N@H+](CC[C@@](C)([NH2+]C(C)C)C(=O)[O-])C1CCCC1 ZINC000045269268 175340474 /nfs/dbraw/zinc/34/04/74/175340474.db2.gz YKNSSYQCEUBYHM-OAHLLOKOSA-N 1 0 270.417 2.482 10 0 CEAERO COC(=O)[C@](C)(CC[N@H+](C)[C@@H](C)C(C)C)NC(C)C ZINC000045269964 175341198 /nfs/dbraw/zinc/34/11/98/175341198.db2.gz OFBZNAIBNHJJGZ-ZFWWWQNUSA-N 1 0 272.433 2.283 10 0 CEAERO CCCN[C@@](C)(CC[N@H+](C)[C@@H](C)C(C)C)C(=O)OC ZINC000045269949 175341400 /nfs/dbraw/zinc/34/14/00/175341400.db2.gz HRODBXDHGCRSHF-ZFWWWQNUSA-N 1 0 272.433 2.284 10 0 CEAERO CCOC(=O)[C@](C)(N)CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000045272136 175343100 /nfs/dbraw/zinc/34/31/00/175343100.db2.gz QGVXHUCTJWAJAJ-SQWLQELKSA-N 1 0 282.428 2.169 10 0 CEAERO CC(C)C[NH+](CC[C@](C)(NC(C)C)C(N)=O)CC(C)C ZINC000045273862 175344428 /nfs/dbraw/zinc/34/44/28/175344428.db2.gz BKALRXSELLPVFK-INIZCTEOSA-N 1 0 285.476 2.233 10 0 CEAERO CCC[N@H+](CC1CC1)C[C@@](C)(NC(C)C)C(=O)OC ZINC000045276843 175346602 /nfs/dbraw/zinc/34/66/02/175346602.db2.gz UVZZMPSPWLPFBP-OAHLLOKOSA-N 1 0 270.417 2.038 10 0 CEAERO CCCN[C@@](C)(C[N@H+](CC(C)C)C1CC1)C(=O)OCC ZINC000045277500 175347008 /nfs/dbraw/zinc/34/70/08/175347008.db2.gz SBPXEVGBVITNAT-INIZCTEOSA-N 1 0 284.444 2.428 10 0 CEAERO CCOC(=O)[C@@](C)(C[N@H+](C)CC(C)(C)C)NC1CC1 ZINC000045279353 175349192 /nfs/dbraw/zinc/34/91/92/175349192.db2.gz SAZFSJFVDGQWKG-OAHLLOKOSA-N 1 0 270.417 2.038 10 0 CEAERO CCCN[C@](C)(C[N@H+](C)CC(C)(C)C)C(=O)OCC ZINC000045279342 175349587 /nfs/dbraw/zinc/34/95/87/175349587.db2.gz DORKIIASLMPHOM-OAHLLOKOSA-N 1 0 272.433 2.286 10 0 CEAERO CCN[C@@](C)(CC[N@H+](CC1CC1)C(C)C)C(=O)OCC ZINC000045281041 175351327 /nfs/dbraw/zinc/35/13/27/175351327.db2.gz XLQPTHDENJVZGG-INIZCTEOSA-N 1 0 284.444 2.428 10 0 CEAERO CCC1CC[NH+](CC[C@@](C)([NH2+]C(C)C)C(=O)[O-])CC1 ZINC000045281422 175351582 /nfs/dbraw/zinc/35/15/82/175351582.db2.gz RSKWATHFUOEFEQ-OAHLLOKOSA-N 1 0 270.417 2.340 10 0 CEAERO CCOC(=O)[C@](C)(C[N@H+](C)CCC(C)C)NC1CC1 ZINC000045281253 175352127 /nfs/dbraw/zinc/35/21/27/175352127.db2.gz RMXWMNYRFMVCEK-HNNXBMFYSA-N 1 0 270.417 2.038 10 0 CEAERO CCC1CC[NH+](CC[C@](C)(NC(C)C)C(=O)OC)CC1 ZINC000045281469 175352572 /nfs/dbraw/zinc/35/25/72/175352572.db2.gz BQNRQENMUGQDOG-INIZCTEOSA-N 1 0 284.444 2.428 10 0 CEAERO CCC[NH2+][C@](C)(CCC[N@@H+]1CCC[C@@H]1C)C(=O)[O-] ZINC000045367867 175363322 /nfs/dbraw/zinc/36/33/22/175363322.db2.gz ZCKWNIJWCUPZPD-GXTWGEPZSA-N 1 0 256.390 2.094 10 0 CEAERO CCCC[N@H+](CC)C[C@@H](NC(C)C)C(=O)OCC ZINC000045370334 175363868 /nfs/dbraw/zinc/36/38/68/175363868.db2.gz HYXSCESUCLEEND-CYBMUJFWSA-N 1 0 258.406 2.038 10 0 CEAERO CC[NH2+][C@@](C)(CCC[NH+]1CCCCCCC1)C(=O)[O-] ZINC000045371492 175364210 /nfs/dbraw/zinc/36/42/10/175364210.db2.gz GIXAFJHJYSZKOT-HNNXBMFYSA-N 1 0 270.417 2.486 10 0 CEAERO CC[N@H+](CCC[C@](C)([NH2+]C)C(=O)[O-])C1CCCCC1 ZINC000045372337 175364956 /nfs/dbraw/zinc/36/49/56/175364956.db2.gz NFHYDSRXKKGKIQ-HNNXBMFYSA-N 1 0 270.417 2.484 10 0 CEAERO CCN[C@@](C)(CCCC[NH+](CC)CC)C(=O)OC ZINC000045375841 175366217 /nfs/dbraw/zinc/36/62/17/175366217.db2.gz DHZKRMPOOAITGT-AWEZNQCLSA-N 1 0 258.406 2.040 10 0 CEAERO CCOC(=O)[C@@](C)(CCCC[NH+]1CCCCC1)NC ZINC000045378240 175367871 /nfs/dbraw/zinc/36/78/71/175367871.db2.gz MVJCQHXDODXTNG-OAHLLOKOSA-N 1 0 270.417 2.184 10 0 CEAERO CCCC[NH+](CCCC)C[C@@H](NCC)C(=O)OC ZINC000045380509 175369377 /nfs/dbraw/zinc/36/93/77/175369377.db2.gz RDHZEZWNVKILSV-CYBMUJFWSA-N 1 0 258.406 2.040 10 0 CEAERO CC[NH2+][C@@](C)(CCCC[N@H+](C)CC(C)C)C(=O)[O-] ZINC000045380801 175369589 /nfs/dbraw/zinc/36/95/89/175369589.db2.gz TVESFHDDKRZJEY-AWEZNQCLSA-N 1 0 258.406 2.197 10 0 CEAERO COC(=O)[C@@](C)(CCCC[N@H+](C)CC(C)C)NC1CC1 ZINC000045380916 175369955 /nfs/dbraw/zinc/36/99/55/175369955.db2.gz YTHSCVUAWBFXCG-MRXNPFEDSA-N 1 0 284.444 2.428 10 0 CEAERO CCC[N@H+](CC)CCC[C@@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000045387025 175372576 /nfs/dbraw/zinc/37/25/76/175372576.db2.gz LWFULCQQHKPQJC-CQSZACIVSA-N 1 0 256.390 2.094 10 0 CEAERO CCCCC[N@H+](C)C[C@H](NC(C)C)C(=O)OCC ZINC000045387852 175374251 /nfs/dbraw/zinc/37/42/51/175374251.db2.gz MVMKXDBJZKLVJM-ZDUSSCGKSA-N 1 0 258.406 2.038 10 0 CEAERO CN[C@@](C)(CCCC[N@H+](C)[C@@H](C)C1CC1)C(=O)OC ZINC000045392839 175375550 /nfs/dbraw/zinc/37/55/50/175375550.db2.gz BBDQQPZTTMWVIT-WFASDCNBSA-N 1 0 270.417 2.038 10 0 CEAERO CC[NH2+][C@@](C)(CCC[N@H+](C)[C@@H](C)C(C)C)C(=O)[O-] ZINC000045392055 175375943 /nfs/dbraw/zinc/37/59/43/175375943.db2.gz FZDSRQAZNHJEHY-JSGCOSHPSA-N 1 0 258.406 2.196 10 0 CEAERO CC(C)[NH2+][C@](C)(CCCC[N@H+](C)CC1CC1)C(=O)[O-] ZINC000045419900 175377683 /nfs/dbraw/zinc/37/76/83/175377683.db2.gz KOBVYTIQNXYRRU-OAHLLOKOSA-N 1 0 270.417 2.340 10 0 CEAERO CCN(CCC[C@](C)([NH3+])C(=O)OC)c1cccc(C)c1 ZINC000045420047 175378379 /nfs/dbraw/zinc/37/83/79/175378379.db2.gz HQDXAVHPNQBDBY-INIZCTEOSA-N 1 0 278.396 2.492 10 0 CEAERO CCCN(CCCC[C@@](C)([NH3+])C(=O)OC)CC(F)(F)F ZINC000045420804 175379093 /nfs/dbraw/zinc/37/90/93/175379093.db2.gz GTFJZZBBNQQTDU-GFCCVEGCSA-N 1 0 298.349 2.321 10 0 CEAERO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)O1 ZINC000658218081 415259071 /nfs/dbraw/zinc/25/90/71/415259071.db2.gz HIXPAMKMCDSQBB-KSTCHIGDSA-N 1 0 253.386 2.347 10 0 CEAERO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1cnc2ccsc2c1 ZINC000658243535 415277124 /nfs/dbraw/zinc/27/71/24/415277124.db2.gz OFKMWADEDDFZRA-QWRGUYRKSA-N 1 0 289.404 2.425 10 0 CEAERO Cc1cc(C)cc([C@@H](C)[NH2+]C[C@H]2CC(=O)N(C)C2)c1 ZINC000658243461 415279033 /nfs/dbraw/zinc/27/90/33/415279033.db2.gz DIGSUPMCMNWVFW-ZIAGYGMSSA-N 1 0 260.381 2.432 10 0 CEAERO CC(C)[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1ccccc1 ZINC000658243072 415279317 /nfs/dbraw/zinc/27/93/17/415279317.db2.gz NLFDJCJQBXFSTM-BBRMVZONSA-N 1 0 260.381 2.452 10 0 CEAERO CCc1ccc([C@@H](C)[NH2+]C[C@H]2CC(=O)N(C)C2)cc1 ZINC000658244515 415280865 /nfs/dbraw/zinc/28/08/65/415280865.db2.gz LOLQEIPTFJSPNC-TZMCWYRMSA-N 1 0 260.381 2.378 10 0 CEAERO C[C@@]1(c2ccc(Br)s2)OC[C@@H](C[NH3+])O1 ZINC000049873183 175502840 /nfs/dbraw/zinc/50/28/40/175502840.db2.gz MIDALHKKVSXDCE-HZGVNTEJSA-N 1 0 278.171 2.057 10 0 CEAERO C[C@H]([NH2+]C1CC(CO)C1)c1ccc2c(c1)OCCCO2 ZINC000658351300 415334268 /nfs/dbraw/zinc/33/42/68/415334268.db2.gz MUMJAZVYIGYAIP-DCBWTQNWSA-N 1 0 277.364 2.269 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1C(=O)C1CCC2(CC2)CC1 ZINC000659295951 415495377 /nfs/dbraw/zinc/49/53/77/415495377.db2.gz UPSZEGHKCPPOCS-ZDUSSCGKSA-N 1 0 250.386 2.297 10 0 CEAERO C[C@H]1CC(CNC(=O)[C@]2(C)CCC[NH2+]2)C[C@H](C)C1 ZINC000659344123 415534507 /nfs/dbraw/zinc/53/45/07/415534507.db2.gz YLPSLQHRUICVDJ-JMSVASOKSA-N 1 0 252.402 2.317 10 0 CEAERO CCCCOCC[NH2+]CCN1C[C@@H](C)S[C@@H](C)C1 ZINC000070386779 175904547 /nfs/dbraw/zinc/90/45/47/175904547.db2.gz UWTRBPBIXRAOCY-OKILXGFUSA-N 1 0 274.474 2.219 10 0 CEAERO CC[NH2+][C@H](C)[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000070399067 175909993 /nfs/dbraw/zinc/90/99/93/175909993.db2.gz HZINQZVJZXSTBT-PRHODGIISA-N 1 0 271.744 2.143 10 0 CEAERO CC(C)(C)[NH2+]C[C@H]1CCCN(c2nncs2)C1 ZINC000070426625 175922961 /nfs/dbraw/zinc/92/29/61/175922961.db2.gz MZFNXIITOQKEQI-SNVBAGLBSA-N 1 0 254.403 2.143 10 0 CEAERO [NH3+]CCCCCCc1nc([C@@H]2C[C@H]3CC[C@@H]2O3)no1 ZINC000070427639 175923484 /nfs/dbraw/zinc/92/34/84/175923484.db2.gz FLNJZQKVUAKIDP-UTUOFQBUSA-N 1 0 265.357 2.166 10 0 CEAERO CCCN(C(=O)[C@@H]1CCCS1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000070437461 175931922 /nfs/dbraw/zinc/93/19/22/175931922.db2.gz RCQSGTAIJXMFBG-PIGZVRMJSA-N 1 0 282.453 2.404 10 0 CEAERO CCCS(=O)(=O)c1ccc(NC[C@@H]([NH3+])C(C)C)cc1 ZINC000070447945 175939586 /nfs/dbraw/zinc/93/95/86/175939586.db2.gz RNHUKAAVRRCNIO-CQSZACIVSA-N 1 0 284.425 2.266 10 0 CEAERO CCc1c(C)nc(-c2ccncc2)nc1N1CCC[NH2+]CC1 ZINC000070451957 175939864 /nfs/dbraw/zinc/93/98/64/175939864.db2.gz UOCAXSOMYNVFPI-UHFFFAOYSA-N 1 0 297.406 2.209 10 0 CEAERO NC(=[NH2+])c1cc2c(nc1-n1cc(C(F)(F)F)cn1)CCC2 ZINC000070466753 175946706 /nfs/dbraw/zinc/94/67/06/175946706.db2.gz GQJWTYAIAPRIEO-UHFFFAOYSA-N 1 0 295.268 2.059 10 0 CEAERO CC[NH2+]Cc1ccc(-n2cc(C(F)(F)F)cn2)nc1 ZINC000070467759 175947742 /nfs/dbraw/zinc/94/77/42/175947742.db2.gz XZWVYJZWXSNZJC-UHFFFAOYSA-N 1 0 270.258 2.396 10 0 CEAERO CC[C@@H]([NH3+])c1ccc(OCCOCCOC)cc1 ZINC000070480279 175952196 /nfs/dbraw/zinc/95/21/96/175952196.db2.gz PWSRLPUPHCZRDT-CQSZACIVSA-N 1 0 253.342 2.138 10 0 CEAERO CO[C@H]1CCC[C@H](OC[C@@](CO)([NH2+]C(C)C)C2CC2)C1 ZINC000070516520 175965371 /nfs/dbraw/zinc/96/53/71/175965371.db2.gz DHYZLWVPCQJVKI-HRCADAONSA-N 1 0 285.428 2.100 10 0 CEAERO C[C@](O)(C[NH3+])CCCOc1cccc2c1OC(C)(C)C2 ZINC000070521969 175967227 /nfs/dbraw/zinc/96/72/27/175967227.db2.gz XKTSFAJOWUPERZ-MRXNPFEDSA-N 1 0 279.380 2.269 10 0 CEAERO C[C@H](C[NH2+]C(C)(C)C)Cn1c(=O)cnc2ccccc21 ZINC000070526860 175971043 /nfs/dbraw/zinc/97/10/43/175971043.db2.gz KIYMTQZUABHDBE-GFCCVEGCSA-N 1 0 273.380 2.421 10 0 CEAERO CC[NH2+]C[C@@H](C)CN1c2cc(Cl)ccc2C(=O)C1=O ZINC000070527432 175971454 /nfs/dbraw/zinc/97/14/54/175971454.db2.gz XKQDSNUTONORSC-SECBINFHSA-N 1 0 280.755 2.115 10 0 CEAERO CC[NH2+]C[C@@H](C)CN1C(=O)C(=O)c2c1c(F)ccc2Cl ZINC000070527484 175971765 /nfs/dbraw/zinc/97/17/65/175971765.db2.gz YANCJMYAHVYWSE-MRVPVSSYSA-N 1 0 298.745 2.254 10 0 CEAERO CC(C)(C)[NH2+]CCCN1CCc2ccccc2C1=O ZINC000070536539 175976017 /nfs/dbraw/zinc/97/60/17/175976017.db2.gz GPIIQXUQNDNIDB-UHFFFAOYSA-N 1 0 260.381 2.463 10 0 CEAERO C[C@@H]1CCC[C@@H](CC[NH2+]CC(=O)N2CCCC2)C1 ZINC000070539015 175976353 /nfs/dbraw/zinc/97/63/53/175976353.db2.gz HPAHTAZABCRFEE-KGLIPLIRSA-N 1 0 252.402 2.415 10 0 CEAERO CC1CCC(CC[NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC000070539389 175976728 /nfs/dbraw/zinc/97/67/28/175976728.db2.gz ZYKNCDCCQCSDPY-YMAMQOFZSA-N 1 0 265.401 2.050 10 0 CEAERO CCCCOCCOC(=O)c1ccccc1CC[NH3+] ZINC000070541371 175976971 /nfs/dbraw/zinc/97/69/71/175976971.db2.gz KYJNKZJIFOJUQP-UHFFFAOYSA-N 1 0 265.353 2.161 10 0 CEAERO C[C@H]1CCC[C@@H](CCNC(=O)c2ccc(C[NH3+])cn2)C1 ZINC000070546002 175979865 /nfs/dbraw/zinc/97/98/65/175979865.db2.gz FKOPKJOYTIBJFE-STQMWFEESA-N 1 0 275.396 2.487 10 0 CEAERO CCN(Cc1ccco1)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000070576351 175991556 /nfs/dbraw/zinc/99/15/56/175991556.db2.gz DIUFUCCTMIGAEX-VXGBXAGGSA-N 1 0 250.342 2.146 10 0 CEAERO COc1ccc(Br)c2c1C[C@@H](C)[NH2+]C2 ZINC000070821226 176007366 /nfs/dbraw/zinc/00/73/66/176007366.db2.gz MFQPPWZIKWWYHH-SSDOTTSWSA-N 1 0 256.143 2.492 10 0 CEAERO CCC[C@@H](C(N)=S)[NH+]1CCN(Cc2ccccc2)CC1 ZINC000070996205 176020549 /nfs/dbraw/zinc/02/05/49/176020549.db2.gz LMLBDXMGSOEQKA-HNNXBMFYSA-N 1 0 291.464 2.259 10 0 CEAERO CC[C@H](c1cccs1)N1CCC[C@H]([NH2+]C)C1=O ZINC000071031737 176022825 /nfs/dbraw/zinc/02/28/25/176022825.db2.gz GNCDBARHPUXZRA-WDEREUQCSA-N 1 0 252.383 2.410 10 0 CEAERO CC(C)[NH2+][C@H]1CCN(C[C@@H]2CCCC[C@@H]2C)C1=O ZINC000071031585 176022854 /nfs/dbraw/zinc/02/28/54/176022854.db2.gz VSTMVMOWTWPREU-IHRRRGAJSA-N 1 0 252.402 2.412 10 0 CEAERO C[NH2+][C@H]1CCCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000071032083 176022945 /nfs/dbraw/zinc/02/29/45/176022945.db2.gz XKLFHWAXNKBIRP-MFKMUULPSA-N 1 0 250.317 2.097 10 0 CEAERO Cc1cc(F)ccc1N1CC[C@@H]([NH2+]C(C)C)C1=O ZINC000071032802 176023575 /nfs/dbraw/zinc/02/35/75/176023575.db2.gz IIKIXORTNKYNNR-GFCCVEGCSA-N 1 0 250.317 2.237 10 0 CEAERO CCC[NH2+][C@@H]1CCCN(CCc2ccccc2)C1=O ZINC000071033096 176023641 /nfs/dbraw/zinc/02/36/41/176023641.db2.gz NAVUPUZHBYVHRD-OAHLLOKOSA-N 1 0 260.381 2.220 10 0 CEAERO Cc1ccc(F)cc1N1CC[C@H]([NH2+]C(C)C)C1=O ZINC000071033487 176023715 /nfs/dbraw/zinc/02/37/15/176023715.db2.gz AXHSURYTRRLIIG-LBPRGKRZSA-N 1 0 250.317 2.237 10 0 CEAERO COc1ccc(Cl)cc1N1CC[C@H]([NH2+]C(C)C)C1=O ZINC000071035964 176025503 /nfs/dbraw/zinc/02/55/03/176025503.db2.gz FRLSQIGWBFDMFN-NSHDSACASA-N 1 0 282.771 2.452 10 0 CEAERO Cc1ccc([C@@H](C)N2CC[C@@H]([NH2+]C3CC3)C2=O)cc1 ZINC000071036615 176025891 /nfs/dbraw/zinc/02/58/91/176025891.db2.gz VFYJKCFGTNLZFW-IUODEOHRSA-N 1 0 258.365 2.409 10 0 CEAERO COc1ccc(CN2CCC[C@H]([NH2+]C(C)C)C2=O)cc1 ZINC000071037694 176026440 /nfs/dbraw/zinc/02/64/40/176026440.db2.gz KDGPQRHPRZSCOR-HNNXBMFYSA-N 1 0 276.380 2.184 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCN1c1cccc(Cl)c1F ZINC000071038998 176027081 /nfs/dbraw/zinc/02/70/81/176027081.db2.gz AOSIHUGQNHPSLP-JTQLQIEISA-N 1 0 268.719 2.336 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCN1c1ccc(F)c(Cl)c1 ZINC000071038973 176027139 /nfs/dbraw/zinc/02/71/39/176027139.db2.gz VFRGLXRGQSCWOT-GFCCVEGCSA-N 1 0 268.719 2.336 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCN1c1cc(Cl)ccc1F ZINC000071039907 176027395 /nfs/dbraw/zinc/02/73/95/176027395.db2.gz GIYCPEDLOHOYNW-LLVKDONJSA-N 1 0 268.719 2.336 10 0 CEAERO CCC[NH2+][C@H]1CCCN([C@H](C)c2ccncc2)C1=O ZINC000071040162 176027716 /nfs/dbraw/zinc/02/77/16/176027716.db2.gz CIWIHRMZQHNKET-OCCSQVGLSA-N 1 0 261.369 2.133 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN([C@@H]2CCc3ccccc3C2)C1=O ZINC000071041923 176028170 /nfs/dbraw/zinc/02/81/70/176028170.db2.gz GBYBLUOXTMDPRJ-HZPDHXFCSA-N 1 0 272.392 2.143 10 0 CEAERO Cc1ccc(CN2CCC[C@H]([NH2+]C3CC3)C2=O)s1 ZINC000071042030 176028425 /nfs/dbraw/zinc/02/84/25/176028425.db2.gz CXWMBTXJYNKIPC-ZDUSSCGKSA-N 1 0 264.394 2.300 10 0 CEAERO CCC(CC)(CO)[NH2+]C[C@H]1OCCc2ccccc21 ZINC000071091112 176031385 /nfs/dbraw/zinc/03/13/85/176031385.db2.gz FZWDDJYTRYDSOQ-OAHLLOKOSA-N 1 0 263.381 2.441 10 0 CEAERO C[C@@H](CN1CCCC1)[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000071090854 176031513 /nfs/dbraw/zinc/03/15/13/176031513.db2.gz CCONAKFKXOXOET-YOEHRIQHSA-N 1 0 274.408 2.374 10 0 CEAERO CN(C[C@@H]1OCCc2ccccc21)c1cc[nH+]cc1N ZINC000071091668 176031764 /nfs/dbraw/zinc/03/17/64/176031764.db2.gz LHMWBWKXGJTXBJ-INIZCTEOSA-N 1 0 269.348 2.414 10 0 CEAERO CCCN(CC[NH2+]C)C[C@H]1OCCc2ccccc21 ZINC000071091548 176032181 /nfs/dbraw/zinc/03/21/81/176032181.db2.gz YOWSOTKPJCDOES-MRXNPFEDSA-N 1 0 262.397 2.232 10 0 CEAERO CN1C(=O)Cc2ccc([C@@H]([NH3+])C3CCCCC3)cc2C1=O ZINC000071139420 176037855 /nfs/dbraw/zinc/03/78/55/176037855.db2.gz GIZVWNGOWMCVMF-INIZCTEOSA-N 1 0 286.375 2.421 10 0 CEAERO C[NH2+]C[C@H]1CCN(Cc2cc(Cl)cc3c2OCOC3)C1 ZINC000071145283 176042060 /nfs/dbraw/zinc/04/20/60/176042060.db2.gz QENRJKSFBMVLMZ-LLVKDONJSA-N 1 0 296.798 2.248 10 0 CEAERO C[NH2+][C@H]1CCC2(C[C@@H]1Oc1cc(F)ccc1F)OCCO2 ZINC000071167453 176049374 /nfs/dbraw/zinc/04/93/74/176049374.db2.gz WFGSWNVZJKGTOF-JSGCOSHPSA-N 1 0 299.317 2.227 10 0 CEAERO COc1ccc(C[C@](C)(C[NH3+])N2CCC(OC)CC2)cc1 ZINC000071169120 176050139 /nfs/dbraw/zinc/05/01/39/176050139.db2.gz PACNQNZSTLDHPQ-QGZVFWFLSA-N 1 0 292.423 2.066 10 0 CEAERO C[NH+](C)C[C@H](O)CNc1ccccc1C(C)(C)C ZINC000071174293 176053523 /nfs/dbraw/zinc/05/35/23/176053523.db2.gz NUMRBEZKIILNSO-GFCCVEGCSA-N 1 0 250.386 2.319 10 0 CEAERO CCC[NH2+][C@H](C)c1cccc(O[C@@H]2CCN(C)C2=O)c1 ZINC000071182941 176058003 /nfs/dbraw/zinc/05/80/03/176058003.db2.gz MSZUCNCFHDDQSG-IUODEOHRSA-N 1 0 276.380 2.357 10 0 CEAERO C[C@H]([NH3+])c1ccc2ccccc2c1O[C@H]1CCN(C)C1=O ZINC000071182982 176058197 /nfs/dbraw/zinc/05/81/97/176058197.db2.gz PGWOZFRWLPUNGT-NHYWBVRUSA-N 1 0 284.359 2.469 10 0 CEAERO CN(C[C@@H]1CC[N@H+](C)C1)c1ccc(N)cc1Br ZINC000071188397 176062682 /nfs/dbraw/zinc/06/26/82/176062682.db2.gz RATWYDJHWJVOTA-SNVBAGLBSA-N 1 0 298.228 2.419 10 0 CEAERO Cc1ccc([C@H](O)CN(C)C[C@@H]2CC[N@H+](C)C2)c(C)c1 ZINC000071190693 176068601 /nfs/dbraw/zinc/06/86/01/176068601.db2.gz VMXZEQDYKMDDTJ-NVXWUHKLSA-N 1 0 276.424 2.220 10 0 CEAERO CNc1ccc(C)cc1C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071193201 176075369 /nfs/dbraw/zinc/07/53/69/176075369.db2.gz ZLOUOWPXERVBCC-CYBMUJFWSA-N 1 0 275.396 2.060 10 0 CEAERO CCNc1ccc(C)cc1C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071193203 176075644 /nfs/dbraw/zinc/07/56/44/176075644.db2.gz WZNIZGOBNOMJAX-CQSZACIVSA-N 1 0 289.423 2.451 10 0 CEAERO COc1ccc(OC)c(N2CC[C@H]([NH2+]C(C)C)C2)c1 ZINC000071197964 176076576 /nfs/dbraw/zinc/07/65/76/176076576.db2.gz JQOBKOBPAUQSCI-LBPRGKRZSA-N 1 0 264.369 2.281 10 0 CEAERO COc1ccc(CCN2CCC[C@H]([NH2+]C3CC3)C2)cc1 ZINC000071197907 176076728 /nfs/dbraw/zinc/07/67/28/176076728.db2.gz CRMBDXUPUWYMMM-INIZCTEOSA-N 1 0 274.408 2.454 10 0 CEAERO COc1ccc(OC)c(N2CC[C@H]([NH2+]C3CC3)C2)c1 ZINC000071197965 176076740 /nfs/dbraw/zinc/07/67/40/176076740.db2.gz NCBAUUUHPLMRNE-LBPRGKRZSA-N 1 0 262.353 2.035 10 0 CEAERO COc1ccc(OC)c(N2CC[C@@H]([NH2+]C(C)C)C2)c1 ZINC000071197963 176076781 /nfs/dbraw/zinc/07/67/81/176076781.db2.gz JQOBKOBPAUQSCI-GFCCVEGCSA-N 1 0 264.369 2.281 10 0 CEAERO CCC[NH2+][C@@H]1CCCN(Cc2ccnc(OC)c2)C1 ZINC000071200130 176077109 /nfs/dbraw/zinc/07/71/09/176077109.db2.gz DXAVSKHKKXSGSQ-CQSZACIVSA-N 1 0 263.385 2.054 10 0 CEAERO Fc1ccc(F)c(CN2CC[C@@H]([NH2+]C3CC3)C2)c1 ZINC000071199930 176077154 /nfs/dbraw/zinc/07/71/54/176077154.db2.gz UKNSUUPMSRJGGZ-CYBMUJFWSA-N 1 0 252.308 2.291 10 0 CEAERO c1ccc2c(c1)OC[C@H]2N1CCC[C@H]([NH2+]C2CC2)C1 ZINC000071200059 176077346 /nfs/dbraw/zinc/07/73/46/176077346.db2.gz VTOKJVDUEDWSGR-DZGCQCFKSA-N 1 0 258.365 2.337 10 0 CEAERO CC[NH2+][C@H]1CCCN(CCOc2cccc(C)c2)C1 ZINC000071200346 176077688 /nfs/dbraw/zinc/07/76/88/176077688.db2.gz IXXIKNJNMIFKDX-HNNXBMFYSA-N 1 0 262.397 2.448 10 0 CEAERO CCOC(=O)c1ncsc1NC[C@@H](C)C[NH+]1CCCC1 ZINC000071202031 176078256 /nfs/dbraw/zinc/07/82/56/176078256.db2.gz IPDBQOLKRXILHG-LLVKDONJSA-N 1 0 297.424 2.464 10 0 CEAERO CCC(CC)[N@H+](CCO)Cc1ccc(F)cc1C(N)=S ZINC000071266085 176100086 /nfs/dbraw/zinc/10/00/86/176100086.db2.gz IOQYMWCMRUONGR-UHFFFAOYSA-N 1 0 298.427 2.443 10 0 CEAERO NC(=[NH2+])c1cc(F)ccc1Cn1ccc(C(F)(F)F)n1 ZINC000071268089 176101469 /nfs/dbraw/zinc/10/14/69/176101469.db2.gz GIMMCKCAXGQODJ-UHFFFAOYSA-N 1 0 286.232 2.373 10 0 CEAERO CCOc1cc2c(cc1C[NH2+]C[C@@H](O)C1CC1)O[C@@H](C)C2 ZINC000071277920 176107747 /nfs/dbraw/zinc/10/77/47/176107747.db2.gz NSYSJTIAMFZRPP-XHDPSFHLSA-N 1 0 291.391 2.269 10 0 CEAERO CCN(CCOc1ccc(Cl)cc1)[C@@H]1CC[NH2+]C1 ZINC000071313910 176120495 /nfs/dbraw/zinc/12/04/95/176120495.db2.gz ROCXUKHMGNKUBW-CYBMUJFWSA-N 1 0 268.788 2.403 10 0 CEAERO CCCN(Cc1cc(F)ccc1OC)[C@H]1CC[NH2+]C1 ZINC000071331957 176125286 /nfs/dbraw/zinc/12/52/86/176125286.db2.gz PZQUYIFEGHFWCO-AWEZNQCLSA-N 1 0 266.360 2.408 10 0 CEAERO Cc1ccc(CC(=O)NC[C@H]2[NH2+]CCC[C@@H]2C)cc1C ZINC000071338826 176129072 /nfs/dbraw/zinc/12/90/72/176129072.db2.gz SILVZIREYJWKES-XJKSGUPXSA-N 1 0 274.408 2.350 10 0 CEAERO C[C@H]1CCC[NH2+][C@@H]1CNC(=O)c1cc(F)c(F)c(F)c1 ZINC000071338745 176129099 /nfs/dbraw/zinc/12/90/99/176129099.db2.gz VEKGUYAXLIOMJS-QPUJVOFHSA-N 1 0 286.297 2.222 10 0 CEAERO Cc1ccc(C(=O)NC[C@H]2[NH2+]CCC[C@H]2C)cc1C ZINC000071338588 176129144 /nfs/dbraw/zinc/12/91/44/176129144.db2.gz MRNKEGGPHBQGTP-IUODEOHRSA-N 1 0 260.381 2.421 10 0 CEAERO CC[C@@H]1C[N@H+](CCCn2ccnc2)[C@H](C(C)(C)C)CN1 ZINC000071344217 176131122 /nfs/dbraw/zinc/13/11/22/176131122.db2.gz ILKXSPKUAWVETG-CABCVRRESA-N 1 0 278.444 2.372 10 0 CEAERO Cc1nccn1CCN1C[C@H](CC(C)C)[NH2+]CC1(C)C ZINC000071351542 176135065 /nfs/dbraw/zinc/13/50/65/176135065.db2.gz UGUZRRKBZYXHBZ-HNNXBMFYSA-N 1 0 278.444 2.290 10 0 CEAERO C[C@@H]1C[NH2+][C@H](Cc2ccccc2)CN1C[C@@H]1CCCCO1 ZINC000071352530 176135873 /nfs/dbraw/zinc/13/58/73/176135873.db2.gz MWUPUGRBBSXNQV-NXHRZFHOSA-N 1 0 288.435 2.461 10 0 CEAERO CC[C@H](C)[C@@H]1CN(CCOCCOC)[C@@](C)(CC)C[NH2+]1 ZINC000071355935 176136618 /nfs/dbraw/zinc/13/66/18/176136618.db2.gz GKRXIVXEZRGUJL-JYJNAYRXSA-N 1 0 286.460 2.138 10 0 CEAERO CC[C@H](C)[C@@H]1CN(Cc2ncccn2)[C@@](C)(CC)C[NH2+]1 ZINC000071355879 176136679 /nfs/dbraw/zinc/13/66/79/176136679.db2.gz HKKUFINDSDRPSN-DZKIICNBSA-N 1 0 276.428 2.465 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(Cc2cnn(C)c2)[C@@](C)(CC)C[NH2+]1 ZINC000071355982 176136815 /nfs/dbraw/zinc/13/68/15/176136815.db2.gz PQZOIIKNRLTONW-KBMXLJTQSA-N 1 0 278.444 2.409 10 0 CEAERO CC[C@@H](C)[C@H]1CN(CCn2ccnc2C)C(C)(C)C[NH2+]1 ZINC000071355744 176137029 /nfs/dbraw/zinc/13/70/29/176137029.db2.gz QSHALNGHVUVYJZ-UKRRQHHQSA-N 1 0 278.444 2.290 10 0 CEAERO CC[C@@]1(C)C[NH2+]C2(CCCC2)CN1Cc1ncccn1 ZINC000071359011 176137450 /nfs/dbraw/zinc/13/74/50/176137450.db2.gz ZWUBYFHUOSROGH-HNNXBMFYSA-N 1 0 274.412 2.363 10 0 CEAERO Cc1c(N)cc(C(=O)NCC[N@@H+](C)C2CCCC2)cc1F ZINC000071376482 176141294 /nfs/dbraw/zinc/14/12/94/176141294.db2.gz LCWCJRWYAWPDGH-UHFFFAOYSA-N 1 0 293.386 2.321 10 0 CEAERO CCCc1cc(C2CC2)nc(N2CCC[NH2+]CC2)n1 ZINC000071398135 176151787 /nfs/dbraw/zinc/15/17/87/176151787.db2.gz ZNPWLMHDHDKQID-UHFFFAOYSA-N 1 0 260.385 2.106 10 0 CEAERO [NH3+][C@H](CCC(=O)N1CCCC[C@@H]1CCO)c1ccccc1 ZINC000071400180 176152636 /nfs/dbraw/zinc/15/26/36/176152636.db2.gz UNVISYVKLNAWRZ-HZPDHXFCSA-N 1 0 290.407 2.230 10 0 CEAERO COCC[NH2+]Cc1cc(C)ccc1OCCCC(=O)OC ZINC000071407470 176156165 /nfs/dbraw/zinc/15/61/65/176156165.db2.gz XMMWVNJAIGFXCG-UHFFFAOYSA-N 1 0 295.379 2.063 10 0 CEAERO CCOC(=O)[C@@H](C)Oc1ccc(C)cc1C[NH2+]CCOC ZINC000071407445 176156265 /nfs/dbraw/zinc/15/62/65/176156265.db2.gz GBPBTESUMMVPTI-CYBMUJFWSA-N 1 0 295.379 2.061 10 0 CEAERO COCC[NH2+]Cc1cc(C)ccc1OC[C@H]1CCCO1 ZINC000071407486 176156480 /nfs/dbraw/zinc/15/64/80/176156480.db2.gz CSXORSLQURVHQT-OAHLLOKOSA-N 1 0 279.380 2.289 10 0 CEAERO CC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(C)cc1CC[NH3+] ZINC000071411283 176157230 /nfs/dbraw/zinc/15/72/30/176157230.db2.gz WXZUWLMIIPUFSE-QWHCGFSZSA-N 1 0 278.396 2.178 10 0 CEAERO CCCC1(C(=O)Nc2cnccc2C)CC[NH2+]CC1 ZINC000071414201 176159408 /nfs/dbraw/zinc/15/94/08/176159408.db2.gz YQXHGTZBDLXYHW-UHFFFAOYSA-N 1 0 261.369 2.498 10 0 CEAERO Cc1ccncc1NC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000071414240 176159621 /nfs/dbraw/zinc/15/96/21/176159621.db2.gz RVSKRWQPTOXUGT-OAHLLOKOSA-N 1 0 255.321 2.203 10 0 CEAERO Cc1cc2c([nH]c(SCCC[NH+](C)C)nc2=O)s1 ZINC000071514799 176193382 /nfs/dbraw/zinc/19/33/82/176193382.db2.gz KJEPJJJJKOGLOG-UHFFFAOYSA-N 1 0 283.422 2.337 10 0 CEAERO COc1ccc(C(C)C)cc1C[C@H]([NH3+])CN(C)C ZINC000071572682 176198881 /nfs/dbraw/zinc/19/88/81/176198881.db2.gz TWYFHRVVDOURMH-AWEZNQCLSA-N 1 0 250.386 2.250 10 0 CEAERO C[NH2+][C@H](C(=O)c1ccc(OC)c(OC)c1)C(C)C ZINC000071573075 176199378 /nfs/dbraw/zinc/19/93/78/176199378.db2.gz WPFVMBCKUYMPTJ-ZDUSSCGKSA-N 1 0 251.326 2.131 10 0 CEAERO COCCOc1ccc(-c2nc(C[NH3+])cs2)cc1 ZINC000071596826 176220080 /nfs/dbraw/zinc/22/00/80/176220080.db2.gz CJRSGLDDUUDXJN-UHFFFAOYSA-N 1 0 264.350 2.294 10 0 CEAERO [NH3+]CCn1cnc(-c2cc(Br)cs2)c1 ZINC000071611499 176231875 /nfs/dbraw/zinc/23/18/75/176231875.db2.gz LQTAGUXTDKFKCK-UHFFFAOYSA-N 1 0 272.171 2.333 10 0 CEAERO [NH3+][C@@H](CO)c1cc(Br)ccc1Cl ZINC000072199131 176339823 /nfs/dbraw/zinc/33/98/23/176339823.db2.gz UNPVIFJKIFEUKM-QMMMGPOBSA-N 1 0 250.523 2.095 10 0 CEAERO O=c1[nH]ncc(N2CCC([C@H]3CCC[NH2+]C3)CC2)c1Cl ZINC000656608267 415783989 /nfs/dbraw/zinc/78/39/89/415783989.db2.gz ILSGKDLPOQXGRZ-NSHDSACASA-N 1 0 296.802 2.052 10 0 CEAERO CCc1nsc(N2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000656608702 415785035 /nfs/dbraw/zinc/78/50/35/415785035.db2.gz MJPIDLXOHCZUQE-GFCCVEGCSA-N 1 0 280.441 2.317 10 0 CEAERO O[C@]12CCCC[C@@H]1C[N@H+](CCO[C@H]1CC1(F)F)CC2 ZINC000660013185 415851377 /nfs/dbraw/zinc/85/13/77/415851377.db2.gz POHWOEAFWQGZDQ-AGIUHOORSA-N 1 0 275.339 2.038 10 0 CEAERO Cc1csc([C@H](C)[NH2+]CC2(O)CCSCC2)n1 ZINC000660266195 415948425 /nfs/dbraw/zinc/94/84/25/415948425.db2.gz OKSJEFNVDLBSHU-JTQLQIEISA-N 1 0 272.439 2.360 10 0 CEAERO CC(C)[NH+](CCCNC(=O)N[C@@H](C)[C@@H]1CCCO1)C(C)C ZINC000074853987 176623509 /nfs/dbraw/zinc/62/35/09/176623509.db2.gz BPQZXAOAPLBEGV-GJZGRUSLSA-N 1 0 299.459 2.362 10 0 CEAERO Cc1cc[n+](CCC(=O)Nc2ncccc2C)cc1 ZINC000075305632 176686431 /nfs/dbraw/zinc/68/64/31/176686431.db2.gz HVWQRLBJRFPHTD-UHFFFAOYSA-O 1 0 256.329 2.015 10 0 CEAERO Cc1ccc(Br)cc1[C@@H](C[NH3+])N(C)C ZINC000076306660 176977187 /nfs/dbraw/zinc/97/71/87/176977187.db2.gz HMCYPUHZRPSDCM-LLVKDONJSA-N 1 0 257.175 2.319 10 0 CEAERO CCC[NH+](CCC)CCCNC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000076554288 177037526 /nfs/dbraw/zinc/03/75/26/177037526.db2.gz MRWYJMDSCOAZFD-LSDHHAIUSA-N 1 0 299.459 2.365 10 0 CEAERO CCN(CC)C(=O)[C@@H](CC[NH3+])c1ccccc1F ZINC000076656584 177045844 /nfs/dbraw/zinc/04/58/44/177045844.db2.gz MMVHWPZAYWFYEA-LBPRGKRZSA-N 1 0 252.333 2.127 10 0 CEAERO CC(C)NC(=O)[C@H](CCC[NH3+])c1ccc(F)cc1 ZINC000076656678 177046123 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C[C@@]1(C(=O)Nc2ccc3c(c2)OCCCO3)CCCC[NH2+]1 ZINC000136141160 419441013 /nfs/dbraw/zinc/44/10/13/419441013.db2.gz SARAUBLSSIGACC-INIZCTEOSA-N 1 0 290.363 2.319 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccc(-n2cccn2)cc1 ZINC000136335387 419443446 /nfs/dbraw/zinc/44/34/46/419443446.db2.gz PRAFGEVXPYMEBQ-AWEZNQCLSA-N 1 0 272.352 2.184 10 0 CEAERO COCCOc1cc(C)ccc1NC(=O)C[C@@H]([NH3+])C(C)C ZINC000136370001 419444826 /nfs/dbraw/zinc/44/48/26/419444826.db2.gz FLKBDKXSLFLWAO-CYBMUJFWSA-N 1 0 294.395 2.332 10 0 CEAERO COc1ccccc1C[C@@H](C)N(C)C(=O)C[C@H]([NH3+])C(C)C ZINC000136477194 419446967 /nfs/dbraw/zinc/44/69/67/419446967.db2.gz WYAAGAGYHBIUPF-HIFRSBDPSA-N 1 0 292.423 2.458 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)C[C@H]2CC[NH2+]C2)c(C)c1 ZINC000089743464 260238740 /nfs/dbraw/zinc/23/87/40/260238740.db2.gz MRPWXZNHRDKVME-UONOGXRCSA-N 1 0 260.381 2.480 10 0 CEAERO CO[C@H](C)[C@H](C)[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C ZINC000221972474 261350648 /nfs/dbraw/zinc/35/06/48/261350648.db2.gz QKJPLLHQBGYTOU-GRYCIOLGSA-N 1 0 274.405 2.303 10 0 CEAERO CC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(C(C)=O)c2)C1 ZINC000390145476 262141984 /nfs/dbraw/zinc/14/19/84/262141984.db2.gz KLKMFNLTVHHEHE-CQSZACIVSA-N 1 0 275.352 2.105 10 0 CEAERO C[C@H]([NH2+]CC(=O)NC1CC1)C12CC3CC(CC(C3)C1)C2 ZINC000020039559 262227028 /nfs/dbraw/zinc/22/70/28/262227028.db2.gz BWZYMHAREJCETJ-GVMDUPDNSA-N 1 0 276.424 2.460 10 0 CEAERO CCC[C@@H](C)[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000188264999 262287913 /nfs/dbraw/zinc/28/79/13/262287913.db2.gz IDWQZISUOLOWQF-CQSZACIVSA-N 1 0 264.417 2.116 10 0 CEAERO O=C(Cc1ccc2c(c1)CCC2)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195096271 270305517 /nfs/dbraw/zinc/30/55/17/270305517.db2.gz BOBPWTQFYUSKQH-GOSISDBHSA-N 1 0 298.430 2.415 10 0 CEAERO Fc1ccc(CNC[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000398384386 270358077 /nfs/dbraw/zinc/35/80/77/270358077.db2.gz WUYMKPWAVLFZDN-VIFPVBQESA-N 1 0 287.176 2.287 10 0 CEAERO CO[C@H](C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1)c1ccccc1 ZINC000398761242 270362807 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ZINC000262044246 275058725 /nfs/dbraw/zinc/05/87/25/275058725.db2.gz YTTXRWIXIZVXPF-LRDDRELGSA-N 1 0 278.371 2.459 10 0 CEAERO c1cn([C@@H]2CO[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000096072839 275072568 /nfs/dbraw/zinc/07/25/68/275072568.db2.gz PXNWSKSJPBZLHN-DLBZAZTESA-N 1 0 283.375 2.489 10 0 CEAERO Brc1ccc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)nc1 ZINC000261593366 275369539 /nfs/dbraw/zinc/36/95/39/275369539.db2.gz WSGKUICVJRINNV-KOLCDFICSA-N 1 0 282.185 2.032 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(C)o1 ZINC000176995510 276181486 /nfs/dbraw/zinc/18/14/86/276181486.db2.gz UZLYRMJKIVDIDI-LBPRGKRZSA-N 1 0 250.342 2.144 10 0 CEAERO CCCCOC[C@H](O)CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000195175115 276238647 /nfs/dbraw/zinc/23/86/47/276238647.db2.gz DDIDTUDWZIQMKL-IAGOWNOFSA-N 1 0 298.471 2.114 10 0 CEAERO CCC[C@@H]([NH2+]C[C@H]1CN(C)CCO1)C1CCCC1 ZINC000313467924 276271896 /nfs/dbraw/zinc/27/18/96/276271896.db2.gz LXWKEIIIZFVHSW-LSDHHAIUSA-N 1 0 254.418 2.266 10 0 CEAERO CCOC(=O)C[C@@H]1[NH2+]CCc2ccc(Cl)cc21 ZINC000049453870 276280386 /nfs/dbraw/zinc/28/03/86/276280386.db2.gz NWFJRZXQWYLAFO-LBPRGKRZSA-N 1 0 253.729 2.480 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2CCC23CCCC3)C1 ZINC000336123189 276782616 /nfs/dbraw/zinc/78/26/16/276782616.db2.gz RPPOJLWVZSICOQ-OLZOCXBDSA-N 1 0 265.401 2.055 10 0 CEAERO CC(C)C1CCN(C(=O)[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000232534092 277341709 /nfs/dbraw/zinc/34/17/09/277341709.db2.gz OOPCBYWCIUAJJF-JSGCOSHPSA-N 1 0 252.402 2.269 10 0 CEAERO CC1(C)CN(C(=O)N[C@H]2CCC23CCCC3)CC[C@H]1[NH3+] ZINC000335143642 278307105 /nfs/dbraw/zinc/30/71/05/278307105.db2.gz ZHWRWDAQXYTQHG-OLZOCXBDSA-N 1 0 279.428 2.478 10 0 CEAERO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000246925860 278311048 /nfs/dbraw/zinc/31/10/48/278311048.db2.gz JEAPGGMTGADLRZ-GDBMZVCRSA-N 1 0 260.381 2.154 10 0 CEAERO C[C@@H]1CCN(c2ccc(OC(F)F)cn2)[C@@H](C[NH3+])C1 ZINC000262206844 278557851 /nfs/dbraw/zinc/55/78/51/278557851.db2.gz LFLZGTYMUUUGTD-NXEZZACHSA-N 1 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/nfs/dbraw/zinc/52/81/89/279528189.db2.gz YSFRJPHDGABWKJ-UHFFFAOYSA-N 1 0 282.428 2.326 10 0 CEAERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1c(F)cccc1F ZINC000105872201 279550163 /nfs/dbraw/zinc/55/01/63/279550163.db2.gz UEKSDCZHTFCORB-UWVGGRQHSA-N 1 0 278.306 2.222 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]CCCSC)C12CCOCC2 ZINC000186346252 279815269 /nfs/dbraw/zinc/81/52/69/279815269.db2.gz RMSQINPAFWPLIU-CHWSQXEVSA-N 1 0 273.442 2.303 10 0 CEAERO C[C@H]1C[C@H](NC(=O)CC[C@H]2CCC[NH2+]2)C[C@@H](C)C1 ZINC000261579719 280001714 /nfs/dbraw/zinc/00/17/14/280001714.db2.gz PRHWAGNEVWNIDQ-RQJABVFESA-N 1 0 252.402 2.460 10 0 CEAERO CC[C@@H](CCO)C[NH2+][C@H](COC)c1ccccc1 ZINC000233876561 280138879 /nfs/dbraw/zinc/13/88/79/280138879.db2.gz DDISZAGYOOJBFI-DZGCQCFKSA-N 1 0 251.370 2.372 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)NCC2(SC)CCC2)C1 ZINC000194917211 280198776 /nfs/dbraw/zinc/19/87/76/280198776.db2.gz UHFFPZXSUXGODH-LBPRGKRZSA-N 1 0 285.457 2.056 10 0 CEAERO CCc1cnc(CN2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)o1 ZINC000229726617 280218178 /nfs/dbraw/zinc/21/81/78/280218178.db2.gz GQHBQOMWSJHEKZ-STQMWFEESA-N 1 0 263.385 2.296 10 0 CEAERO Cc1c(C[NH2+]C[C@H](c2ccccc2)N(C)C)cnn1C ZINC000093649248 280226881 /nfs/dbraw/zinc/22/68/81/280226881.db2.gz VCJPMLZGDGWUAZ-MRXNPFEDSA-N 1 0 272.396 2.121 10 0 CEAERO C[C@@H](C[NH2+]C[C@H](C)N1CCOCC1)c1ccccc1 ZINC000237343235 280230380 /nfs/dbraw/zinc/23/03/80/280230380.db2.gz GFKSZJKJNQHNRA-GJZGRUSLSA-N 1 0 262.397 2.100 10 0 CEAERO C[C@H](CCS(C)(=O)=O)[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000245602655 280252832 /nfs/dbraw/zinc/25/28/32/280252832.db2.gz GNLHFYFFOIPNIL-LALPHHSUSA-N 1 0 281.421 2.333 10 0 CEAERO CCN1CCC[C@@H]([NH2+][C@H](C)c2cccc(CO)c2)C1 ZINC000245880295 280263753 /nfs/dbraw/zinc/26/37/53/280263753.db2.gz KUBPGLBBYPXAQH-CZUORRHYSA-N 1 0 262.397 2.314 10 0 CEAERO CC[C@H]1CN(Cc2nc(C)c(C)s2)CC[N@@H+]1C[C@H](C)O ZINC000246220905 280280865 /nfs/dbraw/zinc/28/08/65/280280865.db2.gz LKWOSMCXGGDQLK-FZMZJTMJSA-N 1 0 297.468 2.037 10 0 CEAERO C[C@@H]1CC[C@H](C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)O1 ZINC000246382222 280290326 /nfs/dbraw/zinc/29/03/26/280290326.db2.gz OSUQCDDQMVCJQP-OCVGTWLNSA-N 1 0 292.423 2.029 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccnc1C ZINC000246543973 280300157 /nfs/dbraw/zinc/30/01/57/280300157.db2.gz KBFHMOACZLGBAA-KBPBESRZSA-N 1 0 273.380 2.089 10 0 CEAERO Cc1cc(Br)cnc1N1CC[NH2+]C(C)(C)C1 ZINC000133191814 280311601 /nfs/dbraw/zinc/31/16/01/280311601.db2.gz ZMHKIOXZTKJTPO-UHFFFAOYSA-N 1 0 284.201 2.341 10 0 CEAERO Cc1cc(Br)cnc1N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261565798 280312054 /nfs/dbraw/zinc/31/20/54/280312054.db2.gz YNOGAUKNNLIHHQ-ZDUSSCGKSA-N 1 0 296.212 2.342 10 0 CEAERO CC[C@H]1CN(Cc2ccncc2Cl)CC[N@@H+]1C[C@H](C)O ZINC000247461543 280330105 /nfs/dbraw/zinc/33/01/05/280330105.db2.gz ILDUQLRDDMLERY-JSGCOSHPSA-N 1 0 297.830 2.012 10 0 CEAERO C[C@H](O)C[N@@H+]1CCN(Cc2cc(Cl)cs2)C[C@@H]1C ZINC000248654614 280357763 /nfs/dbraw/zinc/35/77/63/280357763.db2.gz AOZPVXGSPOCCFH-QWRGUYRKSA-N 1 0 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299054996 /nfs/dbraw/zinc/05/49/96/299054996.db2.gz MPPIYNGPLNFLSP-UTUOFQBUSA-N 1 0 253.415 2.224 10 0 CEAERO C[C@H]1CN(C(=O)CC23CC4CC(CC(C4)C2)C3)C[C@H]1[NH3+] ZINC000235740762 300123217 /nfs/dbraw/zinc/12/32/17/300123217.db2.gz BWBGVGWVMWZBHL-DVMIWYLISA-N 1 0 276.424 2.399 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccnc1Cl ZINC000083550576 300314549 /nfs/dbraw/zinc/31/45/49/300314549.db2.gz ZVNFXVFCXHEVCL-WDEREUQCSA-N 1 0 279.771 2.044 10 0 CEAERO C[C@H]1C[C@@H](C(=O)N2CCCC3(CCOCC3)C2)CC[N@@H+]1C ZINC000335720013 300398161 /nfs/dbraw/zinc/39/81/61/300398161.db2.gz FGYAPOXFUOIOKV-GJZGRUSLSA-N 1 0 294.439 2.136 10 0 CEAERO [NH3+]CC[C@@H](Nc1ncnc2ccccc21)C(F)F ZINC000383457102 321848396 /nfs/dbraw/zinc/84/83/96/321848396.db2.gz NSSRLYOMBPTQBO-SNVBAGLBSA-N 1 0 252.268 2.024 10 0 CEAERO CC(C)N(Cc1ccccn1)C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000384374847 321851979 /nfs/dbraw/zinc/85/19/79/321851979.db2.gz JPIRTCUFJPSZCL-UKRRQHHQSA-N 1 0 275.396 2.207 10 0 CEAERO CC(C)(C)OC(=O)NC1CCC2(CC[C@H](C[NH3+])O2)CC1 ZINC000536950146 330382146 /nfs/dbraw/zinc/38/21/46/330382146.db2.gz LGTQJSJAVGKOBB-MQYJIDSJSA-N 1 0 284.400 2.330 10 0 CEAERO CC(C)[NH+](CCNC(=O)c1cnc(N)c(Cl)c1)C(C)C ZINC000050694099 519647742 /nfs/dbraw/zinc/64/77/42/519647742.db2.gz XXIKJPPREUIGCG-UHFFFAOYSA-N 1 0 298.818 2.166 10 0 CEAERO CC(C)[NH2+]CCCS(=O)(=O)Nc1cc(F)ccc1F ZINC000049640872 519720898 /nfs/dbraw/zinc/72/08/98/519720898.db2.gz ZWZJSBWZQHSGIS-UHFFFAOYSA-N 1 0 292.351 2.095 10 0 CEAERO CC(C)[NH2+]CCCS(=O)(=O)N[C@@H](C)c1ccccc1 ZINC000049631798 519721034 /nfs/dbraw/zinc/72/10/34/519721034.db2.gz PJICCRBOKOHYLP-ZDUSSCGKSA-N 1 0 284.425 2.055 10 0 CEAERO CC(C)[NH2+]C[C@@H]1CC[C@H](CN(C)Cc2cscn2)O1 ZINC000052503879 519723795 /nfs/dbraw/zinc/72/37/95/519723795.db2.gz WQNRZYWCKCSSHS-UONOGXRCSA-N 1 0 283.441 2.121 10 0 CEAERO CC(C)[NH2+][C@@](C)(C[C@@H](C)[NH+]1CCCCC1)C(=O)[O-] ZINC000068620380 519736481 /nfs/dbraw/zinc/73/64/81/519736481.db2.gz YIKAGFAQDAOBAO-OCCSQVGLSA-N 1 0 256.390 2.092 10 0 CEAERO CC(C)[NH2+][C@@H](CCSc1ccc(F)cc1)C(N)=O ZINC000062598932 519734818 /nfs/dbraw/zinc/73/48/18/519734818.db2.gz YJCCSEFGJBWZJO-LBPRGKRZSA-N 1 0 270.373 2.160 10 0 CEAERO CC(C)C[NH2+]C[C@@H](CC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000052952122 519744851 /nfs/dbraw/zinc/74/48/51/519744851.db2.gz VHWRTHOVMYZLDD-UONOGXRCSA-N 1 0 275.458 2.329 10 0 CEAERO CC(C)CSCCC[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000045547580 519768681 /nfs/dbraw/zinc/76/86/81/519768681.db2.gz OAFMZRYBXZGSDD-CYBMUJFWSA-N 1 0 260.447 2.398 10 0 CEAERO CCCN1CC[NH+]([C@H]2C[C@@H](C(C)C)CC[C@@H]2O)CC1 ZINC000054558125 519860283 /nfs/dbraw/zinc/86/02/83/519860283.db2.gz QOHPMNYDPXIIHD-JYJNAYRXSA-N 1 0 268.445 2.200 10 0 CEAERO CCCC1CCC([NH2+][C@H](C)C(=O)N2CCOCC2)CC1 ZINC000049545382 519899408 /nfs/dbraw/zinc/89/94/08/519899408.db2.gz ZHGJLDQTOCXFNR-WLYUNCDWSA-N 1 0 282.428 2.182 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N[C@H](C)Cc1ccccc1OC ZINC000061293691 519906146 /nfs/dbraw/zinc/90/61/46/519906146.db2.gz KGJBQYPIQOSFGP-GFCCVEGCSA-N 1 0 278.396 2.131 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1cc(Cl)ccc1C(=O)OC ZINC000061290767 519906159 /nfs/dbraw/zinc/90/61/59/519906159.db2.gz UBEDCVDPCANIJR-UHFFFAOYSA-N 1 0 298.770 2.453 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1cccc(COC)c1 ZINC000061290295 519907524 /nfs/dbraw/zinc/90/75/24/519907524.db2.gz ZMEIXMJZKXHWFR-UHFFFAOYSA-N 1 0 250.342 2.160 10 0 CEAERO CC[NH2+]CCC(=O)N[C@H](C)c1ccc(OC)c(F)c1 ZINC000061292257 519917183 /nfs/dbraw/zinc/91/71/83/519917183.db2.gz NVIPBFAFHGPGLH-SNVBAGLBSA-N 1 0 268.332 2.011 10 0 CEAERO CCC[NH2+]CC[C@H](C)n1nnc(-c2ccccc2)n1 ZINC000052574715 519919279 /nfs/dbraw/zinc/91/92/79/519919279.db2.gz JNIAAJSYFOSTOW-LBPRGKRZSA-N 1 0 259.357 2.291 10 0 CEAERO CCC[NH2+]Cc1cc(Cl)ccc1OC[C@H](O)COC ZINC000069053450 519944723 /nfs/dbraw/zinc/94/47/23/519944723.db2.gz RALDNDVUVFOEAL-CYBMUJFWSA-N 1 0 287.787 2.226 10 0 CEAERO CC[NH2+]C[C@@H]1CC[C@@H](COc2cccc(F)c2)O1 ZINC000052675833 519953645 /nfs/dbraw/zinc/95/36/45/519953645.db2.gz SQWSSADBFZGKPM-KBPBESRZSA-N 1 0 253.317 2.362 10 0 CEAERO CC[NH2+]Cc1cnc(N(CC)[C@H](C)COC)s1 ZINC000054906492 520016305 /nfs/dbraw/zinc/01/63/05/520016305.db2.gz XYFWNFBBDYPJKU-SNVBAGLBSA-N 1 0 257.403 2.114 10 0 CEAERO CCCN[C@@](C)(C[C@H](C)[N@@H+]1CCCCC[C@@H]1C)C(N)=O ZINC000068647887 520045044 /nfs/dbraw/zinc/04/50/44/520045044.db2.gz DOKDWWPILGQBQB-DZKIICNBSA-N 1 0 283.460 2.273 10 0 CEAERO CCCN[C@@](C)(C[C@@H](C)[NH+]1CCC(C)(C)CC1)C(N)=O ZINC000068643199 520042035 /nfs/dbraw/zinc/04/20/35/520042035.db2.gz QLZMMVAWAANBQI-CJNGLKHVSA-N 1 0 283.460 2.131 10 0 CEAERO CCCN[C@@](C)(C[C@@H](C)[NH+]1CCCCCCC1)C(N)=O ZINC000068617303 520042363 /nfs/dbraw/zinc/04/23/63/520042363.db2.gz WZSOGJGWQCKFLR-ZBFHGGJFSA-N 1 0 283.460 2.275 10 0 CEAERO CCC[NH2+][C@H](CCN(CC)c1cccc(C)c1)C(N)=O ZINC000062452986 520071492 /nfs/dbraw/zinc/07/14/92/520071492.db2.gz ZRDHDCAGNZLJIN-OAHLLOKOSA-N 1 0 277.412 2.065 10 0 CEAERO CCCN[C@H](CC[N@H+](CC(C)C)C1CC1)C(=O)OCC ZINC000062461110 520072351 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CC[NH2+][C@H](C)CC(=O)N[C@@H](C)Cc1ccccc1OC ZINC000061271583 520167324 /nfs/dbraw/zinc/16/73/24/520167324.db2.gz UMKSWNLEAWVRNL-OLZOCXBDSA-N 1 0 278.396 2.131 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(C)cc1OC[C@H](O)COC ZINC000069054005 520176308 /nfs/dbraw/zinc/17/63/08/520176308.db2.gz YLTVIGFKSGGMED-CHWSQXEVSA-N 1 0 267.369 2.052 10 0 CEAERO CC[NH2+][C@H](C)c1cnc(N2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000054900575 520180816 /nfs/dbraw/zinc/18/08/16/520180816.db2.gz DKRZKOKZVWAHSD-OUAUKWLOSA-N 1 0 269.414 2.427 10 0 CEAERO CC[NH2+][C@H](CCSCc1cccc(C)c1)C(N)=O ZINC000062604051 520194837 /nfs/dbraw/zinc/19/48/37/520194837.db2.gz IWWKQNWZSRVCKJ-CYBMUJFWSA-N 1 0 266.410 2.082 10 0 CEAERO CC[NH2+][C@H](Cc1cnn(C)c1)Cc1ccc(F)cc1 ZINC000050542705 520203825 /nfs/dbraw/zinc/20/38/25/520203825.db2.gz CCTWVRMXHBIWHE-HNNXBMFYSA-N 1 0 261.344 2.323 10 0 CEAERO CC1CCC(C[NH3+])(NC(=O)CC[C@@H]2CCCCO2)CC1 ZINC000069405702 520916271 /nfs/dbraw/zinc/91/62/71/520916271.db2.gz UOUVYXYSOMUOPU-BBBYJDLNSA-N 1 0 282.428 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519726595 /nfs/dbraw/zinc/72/65/95/519726595.db2.gz PHYGCXVZMCNKFS-LSDHHAIUSA-N 1 0 266.429 2.265 10 0 CEAERO CC(C)[NH2+]Cc1cccc(CN2CCOC[C@@H]2C)c1 ZINC000052475778 519727140 /nfs/dbraw/zinc/72/71/40/519727140.db2.gz ZRHOAIFROINMFT-AWEZNQCLSA-N 1 0 262.397 2.405 10 0 CEAERO CC(C)[NH2+]Cc1nnnn1[C@H]1CCCc2ccccc21 ZINC000054746450 519730003 /nfs/dbraw/zinc/73/00/03/519730003.db2.gz FNFRSAYVXHDHCC-AWEZNQCLSA-N 1 0 271.368 2.097 10 0 CEAERO CC(C)[NH2+][C@@](C)(CCCOc1ccccc1F)C(N)=O ZINC000045514910 519736260 /nfs/dbraw/zinc/73/62/60/519736260.db2.gz UNGQQMGKOVCCTJ-HNNXBMFYSA-N 1 0 282.359 2.227 10 0 CEAERO CC(C)C[NH2+]CCCCn1c(=O)cnc2ccccc21 ZINC000053523548 519743184 /nfs/dbraw/zinc/74/31/84/519743184.db2.gz DCLNZJVZQXHAAW-UHFFFAOYSA-N 1 0 273.380 2.422 10 0 CEAERO CC(C)C[NH2+]C[C@@H]1CC[C@@H](COCCOC(C)C)O1 ZINC000052627614 519745266 /nfs/dbraw/zinc/74/52/66/519745266.db2.gz YSHPZAUTSRSXMI-GJZGRUSLSA-N 1 0 273.417 2.221 10 0 CEAERO CC(C)C[NH2+]C[C@H](C)n1cc(Br)cn1 ZINC000052577613 519746089 /nfs/dbraw/zinc/74/60/89/519746089.db2.gz QLKUXSHKUNMFJM-VIFPVBQESA-N 1 0 260.179 2.452 10 0 CEAERO CC(C)C[NH2+]C[C@H]1CC[C@H](CN(C)CC(F)(F)F)O1 ZINC000052483402 519746306 /nfs/dbraw/zinc/74/63/06/519746306.db2.gz KZFBDDMKCFRYSD-VXGBXAGGSA-N 1 0 282.350 2.274 10 0 CEAERO CC(C)C[NH2+]Cc1nnnn1Cc1ccc(Cl)cc1 ZINC000054745158 519748771 /nfs/dbraw/zinc/74/87/71/519748771.db2.gz LDRGIIQYJZMLSP-UHFFFAOYSA-N 1 0 279.775 2.120 10 0 CEAERO CC(=O)Nc1ccccc1OCc1ccnc(C[NH3+])c1 ZINC000068751336 519751164 /nfs/dbraw/zinc/75/11/64/519751164.db2.gz POOUSKAPBHEORF-UHFFFAOYSA-N 1 0 271.320 2.078 10 0 CEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(N)c(F)cc1F ZINC000049551030 519775494 /nfs/dbraw/zinc/77/54/94/519775494.db2.gz DUWWBNHUNGTKJB-JTQLQIEISA-N 1 0 299.365 2.253 10 0 CEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1nc(N)ccc1Cl ZINC000050707867 519775841 /nfs/dbraw/zinc/77/58/41/519775841.db2.gz LRXUCVNITZXAJZ-JTQLQIEISA-N 1 0 298.818 2.023 10 0 CEAERO CC(C)C[C@@H](C[NH+](C)C)Nc1ncccc1C(N)=S ZINC000049560083 519776290 /nfs/dbraw/zinc/77/62/90/519776290.db2.gz MQTRGACZIRVMJC-NSHDSACASA-N 1 0 280.441 2.104 10 0 CEAERO CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccc(Cl)cc1N ZINC000049191854 519814415 /nfs/dbraw/zinc/81/44/15/519814415.db2.gz PUZIYDODWCORAV-ZDUSSCGKSA-N 1 0 283.803 2.238 10 0 CEAERO CC(C)[C@H](CNC(=O)c1cc(F)c(F)c(F)c1)[NH+](C)C ZINC000063011681 519815617 /nfs/dbraw/zinc/81/56/17/519815617.db2.gz AUPTVUKLFDNBSS-LBPRGKRZSA-N 1 0 288.313 2.420 10 0 CEAERO CC(C)c1cc(N2CCC[C@H]2C[NH2+]C2CC2)ncn1 ZINC000053695196 519833146 /nfs/dbraw/zinc/83/31/46/519833146.db2.gz KFYXAORFNCBTQE-ZDUSSCGKSA-N 1 0 260.385 2.321 10 0 CEAERO CCC[NH+]1CCC(O)(c2ccc(OC)cc2OC)CC1 ZINC000055232482 519847709 /nfs/dbraw/zinc/84/77/09/519847709.db2.gz OKJPGMZACRBZJU-UHFFFAOYSA-N 1 0 279.380 2.397 10 0 CEAERO CCCC1(C(=O)N(CC)C[C@@H]2CCOC2)CC[NH2+]CC1 ZINC000062849301 519887532 /nfs/dbraw/zinc/88/75/32/519887532.db2.gz UANMAIKWEXOPDJ-AWEZNQCLSA-N 1 0 282.428 2.041 10 0 CEAERO CCCC1CC[NH+](CCCn2cc(N)ccc2=O)CC1 ZINC000050892862 519901786 /nfs/dbraw/zinc/90/17/86/519901786.db2.gz DZISDPKGICIKPJ-UHFFFAOYSA-N 1 0 277.412 2.333 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)NCc1ccc(OC(F)F)cc1 ZINC000061298532 519905275 /nfs/dbraw/zinc/90/52/75/519905275.db2.gz QAIRAKXSBRVPJN-UHFFFAOYSA-N 1 0 286.322 2.292 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1ccc(C)c(O)c1C ZINC000061292436 519906706 /nfs/dbraw/zinc/90/67/06/519906706.db2.gz ZPXDMEHHDXPRJV-UHFFFAOYSA-N 1 0 250.342 2.336 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000061292204 519908250 /nfs/dbraw/zinc/90/82/50/519908250.db2.gz RQJKMRYCZKECBS-UHFFFAOYSA-N 1 0 284.363 2.470 10 0 CEAERO CC[NH2+]C1CCN(CCCOCC(F)(F)F)CC1 ZINC000049311936 519909136 /nfs/dbraw/zinc/90/91/36/519909136.db2.gz UUQJSVJQXTTXBU-UHFFFAOYSA-N 1 0 268.323 2.029 10 0 CEAERO CC[NH2+]CCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000061278699 519916450 /nfs/dbraw/zinc/91/64/50/519916450.db2.gz RPAPWVLLSZXPPX-UHFFFAOYSA-N 1 0 250.386 2.071 10 0 CEAERO CC[NH2+]CCC(=O)N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000061290599 519916804 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/nfs/dbraw/zinc/93/47/39/519934739.db2.gz RISNXTSOBHQULI-GFCCVEGCSA-N 1 0 251.349 2.437 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)NCc1ccccc1COCC ZINC000061234466 519936155 /nfs/dbraw/zinc/93/61/55/519936155.db2.gz KXAFDLBPKLELKE-CYBMUJFWSA-N 1 0 278.396 2.085 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccc(N(CC)CC)nc1 ZINC000061232096 519940206 /nfs/dbraw/zinc/94/02/06/519940206.db2.gz HRYQYVOVUMEYPQ-GFCCVEGCSA-N 1 0 278.400 2.112 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1cccc(Cn2cccn2)c1 ZINC000061230582 519941450 /nfs/dbraw/zinc/94/14/50/519941450.db2.gz RLBXHFGQEPNRPO-CYBMUJFWSA-N 1 0 286.379 2.116 10 0 CEAERO CCC[NH2+]Cc1cc(CN(CCOC)CCOC)oc1C ZINC000052571393 519944759 /nfs/dbraw/zinc/94/47/59/519944759.db2.gz XADOWUBASQWZMX-UHFFFAOYSA-N 1 0 298.427 2.182 10 0 CEAERO CC[NH2+]C[C@@H]1CC[C@H](COCCOc2ccccc2)O1 ZINC000052628529 519955803 /nfs/dbraw/zinc/95/58/03/519955803.db2.gz MTAXTPVBWQDBOM-JKSUJKDBSA-N 1 0 279.380 2.239 10 0 CEAERO CC[NH2+]C[C@@H]1OCCN(C)[C@@H]1c1ccc(SC)cc1 ZINC000070285469 519956249 /nfs/dbraw/zinc/95/62/49/519956249.db2.gz FSOXDGJKONLKPI-LSDHHAIUSA-N 1 0 280.437 2.390 10 0 CEAERO CCC[NH2+]Cc1ccccc1CN1CCOC[C@H]1C ZINC000052476102 519956737 /nfs/dbraw/zinc/95/67/37/519956737.db2.gz GHBAUJOIQFSOBJ-CQSZACIVSA-N 1 0 262.397 2.407 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N[C@@H](C)c1ccccc1OC ZINC000061267362 519964487 /nfs/dbraw/zinc/96/44/87/519964487.db2.gz XSVCEQVGKSVVTR-RYUDHWBXSA-N 1 0 264.369 2.118 10 0 CEAERO CCC[NH2+]Cc1nccn1CCOc1ccccc1 ZINC000051005061 519968743 /nfs/dbraw/zinc/96/87/43/519968743.db2.gz KLEANGRUJZETDV-UHFFFAOYSA-N 1 0 259.353 2.462 10 0 CEAERO CCC[NH2+]Cc1nccn1Cc1ccc(OC)cc1 ZINC000070143677 519968880 /nfs/dbraw/zinc/96/88/80/519968880.db2.gz ZYYBOMUAJHBMLP-UHFFFAOYSA-N 1 0 259.353 2.440 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1cnc2c(cnn2C(C)C)c1 ZINC000061267304 519970056 /nfs/dbraw/zinc/97/00/56/519970056.db2.gz KZDUIOPCYZDPJN-NSHDSACASA-N 1 0 289.383 2.196 10 0 CEAERO CC[NH2+]C[C@H](Cc1nnnn1-c1ccccc1)C(C)C ZINC000052971768 519972601 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ZINC000052570924 519994912 /nfs/dbraw/zinc/99/49/12/519994912.db2.gz MXGOEPWGLMIDQM-OLZOCXBDSA-N 1 0 266.385 2.388 10 0 CEAERO CC[NH2+]Cc1ccc(OC[C@H](O)C(F)(F)F)cc1 ZINC000068875902 519999182 /nfs/dbraw/zinc/99/91/82/519999182.db2.gz RMGLLRGTNRWXDJ-NSHDSACASA-N 1 0 263.259 2.098 10 0 CEAERO CC[NH2+]Cc1cccc(N(C)[C@@H]2CCSC2)n1 ZINC000051441925 520004196 /nfs/dbraw/zinc/00/41/96/520004196.db2.gz MKZOKSWUVJILJP-GFCCVEGCSA-N 1 0 251.399 2.133 10 0 CEAERO CCC[NH2+][C@@H](CN(C)C[C@@H]1CCCCO1)C1CC1 ZINC000069074216 520008922 /nfs/dbraw/zinc/00/89/22/520008922.db2.gz QMYYDIAMFWJWAB-GJZGRUSLSA-N 1 0 254.418 2.266 10 0 CEAERO CCC[NH2+][C@@H](c1ccc(OC)cc1F)[C@@H]1COCCO1 ZINC000055300778 520017950 /nfs/dbraw/zinc/01/79/50/520017950.db2.gz GSHLRRCFWMPAFN-GJZGRUSLSA-N 1 0 283.343 2.290 10 0 CEAERO CCC[NH2+][C@@H](c1ccccc1)[C@@H](C)S(C)(=O)=O ZINC000054930504 520018519 /nfs/dbraw/zinc/01/85/19/520018519.db2.gz ILUQKVBKOSXEIR-DGCLKSJQSA-N 1 0 255.383 2.160 10 0 CEAERO CCC[NH2+][C@@H]1CCC[C@@H]1S(=O)(=O)c1ccccc1 ZINC000061702878 520023179 /nfs/dbraw/zinc/02/31/79/520023179.db2.gz YKWHKASWZBPRCJ-KGLIPLIRSA-N 1 0 267.394 2.381 10 0 CEAERO CCC[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000049647999 520024283 /nfs/dbraw/zinc/02/42/83/520024283.db2.gz VTGYULKQKJIBQF-LLVKDONJSA-N 1 0 254.280 2.070 10 0 CEAERO CCC[NH2+][C@@](C)(CCC[N@H+](CC)CC1CC1)C(=O)[O-] ZINC000069239477 520035097 /nfs/dbraw/zinc/03/50/97/520035097.db2.gz BVGWZAUIAUPLNY-HNNXBMFYSA-N 1 0 270.417 2.341 10 0 CEAERO CCC[NH2+][C@H](C)[C@H](CCCS(C)(=O)=O)C(C)C ZINC000063015982 520063778 /nfs/dbraw/zinc/06/37/78/520063778.db2.gz DVLUTTVWWLWQJW-CHWSQXEVSA-N 1 0 263.447 2.472 10 0 CEAERO CCC[NH2+][C@H](C)c1ccc(-n2cc(C(N)=O)cn2)cc1 ZINC000070329104 520064286 /nfs/dbraw/zinc/06/42/86/520064286.db2.gz IPOCXLQHKZHGCO-LLVKDONJSA-N 1 0 272.352 2.032 10 0 CEAERO CCC[NH2+][C@H](C)c1sc(CS(C)(=O)=O)nc1C ZINC000052789298 520067875 /nfs/dbraw/zinc/06/78/75/520067875.db2.gz WVBBOPWYPNVAKV-MRVPVSSYSA-N 1 0 276.427 2.057 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1cc(C(=O)OC)ccc1C ZINC000061270345 520067909 /nfs/dbraw/zinc/06/79/09/520067909.db2.gz QABJENIPYJYCKM-NSHDSACASA-N 1 0 278.352 2.108 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000061268832 520067965 /nfs/dbraw/zinc/06/79/65/520067965.db2.gz JHPJWDWKQYNYER-JTQLQIEISA-N 1 0 296.367 2.039 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1cc(NC(C)=O)ccc1C ZINC000061270114 520067979 /nfs/dbraw/zinc/06/79/79/520067979.db2.gz QSJVKYVTYCOLOU-NSHDSACASA-N 1 0 277.368 2.280 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000061271265 520068488 /nfs/dbraw/zinc/06/84/88/520068488.db2.gz XQPKPFHICTZORJ-NSHDSACASA-N 1 0 272.352 2.403 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1nc2c(s1)CCCC2 ZINC000061274216 520070950 /nfs/dbraw/zinc/07/09/50/520070950.db2.gz BZUOSKKLXQJOIA-VIFPVBQESA-N 1 0 267.398 2.349 10 0 CEAERO CC[NH2+][C@@H](C)CCc1ccc(O[C@H](CC)C(N)=O)cc1 ZINC000061675849 520073395 /nfs/dbraw/zinc/07/33/95/520073395.db2.gz ALZUXWCDAJSHJZ-SWLSCSKDSA-N 1 0 278.396 2.260 10 0 CEAERO CC[NH2+][C@@H](CCCS(C)(=O)=O)CCc1ccccc1 ZINC000063017086 520083278 /nfs/dbraw/zinc/08/32/78/520083278.db2.gz VMHYMGLHGJUUIB-HNNXBMFYSA-N 1 0 283.437 2.422 10 0 CEAERO CCC[NH2+][C@H](c1ccc(F)cc1F)[C@H]1COCCO1 ZINC000055300568 520090067 /nfs/dbraw/zinc/09/00/67/520090067.db2.gz BPFOXNJUJBRLCB-ZIAGYGMSSA-N 1 0 271.307 2.421 10 0 CEAERO CCC[NH2+][C@H](c1ccc2c(c1)CCCO2)[C@H]1COCCO1 ZINC000055301028 520090552 /nfs/dbraw/zinc/09/05/52/520090552.db2.gz COJFPXGILKQQAP-IAGOWNOFSA-N 1 0 291.391 2.468 10 0 CEAERO CCC[NH2+][C@H](c1ccc(OC)c(F)c1)[C@H]1COCCO1 ZINC000055300752 520091103 /nfs/dbraw/zinc/09/11/03/520091103.db2.gz TYDVZNGLUDXOHT-HUUCEWRRSA-N 1 0 283.343 2.290 10 0 CEAERO CC[NH2+][C@@H](CC[C@@H]1CCCCO1)Cc1ncc[nH]1 ZINC000069391966 520097256 /nfs/dbraw/zinc/09/72/56/520097256.db2.gz YFOPCKXYFYCWOY-STQMWFEESA-N 1 0 251.374 2.280 10 0 CEAERO CCC[NH2+][C@H]1COc2cc(O[C@H]3CCC[C@@H]3O)ccc21 ZINC000062805114 520098148 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CC[NH2+][C@@H](c1ccc(OCC)cc1)[C@@H]1COCCO1 ZINC000055299921 520111789 /nfs/dbraw/zinc/11/17/89/520111789.db2.gz NOZZOCOKUIVTTG-GJZGRUSLSA-N 1 0 265.353 2.151 10 0 CEAERO CCCN[C@](C)(C[C@@H](C)[NH+]1CCCCCCC1)C(N)=O ZINC000068617307 520111833 /nfs/dbraw/zinc/11/18/33/520111833.db2.gz WZSOGJGWQCKFLR-GDBMZVCRSA-N 1 0 283.460 2.275 10 0 CEAERO CC[NH2+][C@@H](c1ccc2c(c1)CC(=O)N2)[C@@H]1CCCCO1 ZINC000050962128 520112346 /nfs/dbraw/zinc/11/23/46/520112346.db2.gz TZMUTZUQRWOTHJ-HOCLYGCPSA-N 1 0 274.364 2.401 10 0 CEAERO CCN[C@@](C)(CC[NH+]1CCC(C)(C)CC1)C(=O)OCC ZINC000061822018 520133507 /nfs/dbraw/zinc/13/35/07/520133507.db2.gz NCXVIIVADWLNDD-INIZCTEOSA-N 1 0 284.444 2.430 10 0 CEAERO CCCNc1cc(C[N@H+](CCOC)[C@H](C)COC)ccn1 ZINC000052729073 520135639 /nfs/dbraw/zinc/13/56/39/520135639.db2.gz OLGGEUDPKMREED-CQSZACIVSA-N 1 0 295.427 2.387 10 0 CEAERO CC[NH2+][C@@](C)(C[C@H](C)Oc1ccccc1OCC)C(N)=O ZINC000068655392 520147024 /nfs/dbraw/zinc/14/70/24/520147024.db2.gz HVMKCLHPHXUZKQ-LRDDRELGSA-N 1 0 294.395 2.096 10 0 CEAERO CC[NH2+][C@@](COc1cccc(C(C)C)c1)(C(N)=O)C1CC1 ZINC000069197043 520158715 /nfs/dbraw/zinc/15/87/15/520158715.db2.gz VVCNKNJATKXQCD-QGZVFWFLSA-N 1 0 290.407 2.432 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1ccc(C(=O)NC(C)C)cc1 ZINC000061271596 520169674 /nfs/dbraw/zinc/16/96/74/520169674.db2.gz UHEQBWRMJCDEOJ-GFCCVEGCSA-N 1 0 291.395 2.151 10 0 CEAERO CCCNc1cccc(C(=O)N[C@@H]2CCC[N@H+](CC)C2)n1 ZINC000051071593 520173607 /nfs/dbraw/zinc/17/36/07/520173607.db2.gz SBAXCWWFMDLZKX-CYBMUJFWSA-N 1 0 290.411 2.118 10 0 CEAERO CC[NH2+][C@H](C)c1sc(N2CCN(C3CC3)CC2)nc1C ZINC000054909491 520183570 /nfs/dbraw/zinc/18/35/70/520183570.db2.gz BBQSRIKQIYSDIZ-LLVKDONJSA-N 1 0 294.468 2.406 10 0 CEAERO CC[NH2+][C@H](CN1CCN(c2ccccc2)CC1)C1CC1 ZINC000069073596 520198674 /nfs/dbraw/zinc/19/86/74/520198674.db2.gz KODOXOPBSJCBGF-QGZVFWFLSA-N 1 0 273.424 2.197 10 0 CEAERO CC[NH2+][C@H](CN1c2ccccc2CCC1=O)C1CC1 ZINC000069076478 520198728 /nfs/dbraw/zinc/19/87/28/520198728.db2.gz ABCIVJNYSLEXIG-CQSZACIVSA-N 1 0 258.365 2.354 10 0 CEAERO CC[NH2+][C@H](c1ccc(F)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000050568909 520207686 /nfs/dbraw/zinc/20/76/86/520207686.db2.gz FKPVTAOJUSWADP-FZMZJTMJSA-N 1 0 285.384 2.219 10 0 CEAERO CC[NH2+][C@H](c1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1CCCCO1 ZINC000050962044 520209913 /nfs/dbraw/zinc/20/99/13/520209913.db2.gz XMPGRSYTIQOFJD-UONOGXRCSA-N 1 0 275.352 2.076 10 0 CEAERO CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1CN1CCOCC1 ZINC000054559500 520218388 /nfs/dbraw/zinc/21/83/88/520218388.db2.gz RUEXHHCBHRUWJQ-OAGGEKHMSA-N 1 0 268.445 2.369 10 0 CEAERO CC[NH2+][C@H]1CCc2c1cccc2OC[C@@H](O)COCC ZINC000069276164 520219484 /nfs/dbraw/zinc/21/94/84/520219484.db2.gz FCKFQACSCRMQKS-WFASDCNBSA-N 1 0 279.380 2.060 10 0 CEAERO CC[NH2+][C@H]1CCc2c1cccc2OC[C@@H](O)COC(C)C ZINC000070099606 520219841 /nfs/dbraw/zinc/21/98/41/520219841.db2.gz VNTQJYIHAAWOAD-BBRMVZONSA-N 1 0 293.407 2.448 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2CCC[C@H]1S(C)(=O)=O ZINC000054930337 520223099 /nfs/dbraw/zinc/22/30/99/520223099.db2.gz QLMIXNYIYVIREE-KGLIPLIRSA-N 1 0 267.394 2.087 10 0 CEAERO CCCOCCC(=O)N(CCC[NH3+])c1ccccc1OC ZINC000054433817 520250935 /nfs/dbraw/zinc/25/09/35/520250935.db2.gz WSQIPLBARZROLQ-UHFFFAOYSA-N 1 0 294.395 2.194 10 0 CEAERO CCCOC[C@H](Cc1ccc(OC)c(F)c1)[NH2+]C ZINC000060701835 520257772 /nfs/dbraw/zinc/25/77/72/520257772.db2.gz WIWPLKTTWLOVAD-LBPRGKRZSA-N 1 0 255.333 2.391 10 0 CEAERO CCNc1ccc(C[N@@H+]2CCCSCC2)cn1 ZINC000050817854 520300897 /nfs/dbraw/zinc/30/08/97/520300897.db2.gz OPDWBTVNOVTXEC-UHFFFAOYSA-N 1 0 251.399 2.452 10 0 CEAERO CCN(CC(=O)NC(C)C)c1ccc(Cl)cc1C[NH3+] ZINC000052857293 520325649 /nfs/dbraw/zinc/32/56/49/520325649.db2.gz ZDFVVXSEBFNRTC-UHFFFAOYSA-N 1 0 283.803 2.150 10 0 CEAERO CCNc1cccc(C(=O)N2CC[NH+]([C@@H](C)CC)CC2)n1 ZINC000055085359 520333684 /nfs/dbraw/zinc/33/36/84/520333684.db2.gz IZNCLGVNUWCSMZ-ZDUSSCGKSA-N 1 0 290.411 2.070 10 0 CEAERO CCNc1ccccc1C(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000050770017 520338957 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520465687 /nfs/dbraw/zinc/46/56/87/520465687.db2.gz KVFJVCHQBLBFTH-BXUZGUMPSA-N 1 0 264.369 2.390 10 0 CEAERO CCCC[N@H+](CC)CC[C@@H](NCCC)C(=O)OC ZINC000062438349 520474729 /nfs/dbraw/zinc/47/47/29/520474729.db2.gz MVJZILCVDDHJBK-CYBMUJFWSA-N 1 0 258.406 2.040 10 0 CEAERO CCCC[N@H+](CC)CC[C@@H](NC1CC1)C(=O)OCC ZINC000062438241 520476000 /nfs/dbraw/zinc/47/60/00/520476000.db2.gz LSEQPVKZDQOBTF-CQSZACIVSA-N 1 0 270.417 2.182 10 0 CEAERO CCCOc1ccccc1O[C@@H](C)C[NH2+]CCOC ZINC000053567988 520486371 /nfs/dbraw/zinc/48/63/71/520486371.db2.gz QMOKCHRPDKIXFF-ZDUSSCGKSA-N 1 0 267.369 2.479 10 0 CEAERO CCCC[NH+](CCCC)CC[C@H]([NH2+]CC)C(=O)[O-] ZINC000062444452 520493997 /nfs/dbraw/zinc/49/39/97/520493997.db2.gz AFSJKKBJPMSJGD-ZDUSSCGKSA-N 1 0 258.406 2.341 10 0 CEAERO CCO[C@H](C[NH3+])CCN1c2ccccc2CCCC1=O ZINC000062741415 520516812 /nfs/dbraw/zinc/51/68/12/520516812.db2.gz AAYKUQSDHMRDOB-AWEZNQCLSA-N 1 0 276.380 2.110 10 0 CEAERO CCO[C@H](C[NH3+])CN(C)Cc1ccc(Cl)s1 ZINC000062739701 520517921 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CCC[C@@]1(C(=O)N2CCSC[C@@H]2C)CCC[NH2+]C1 ZINC000070221989 520941730 /nfs/dbraw/zinc/94/17/30/520941730.db2.gz QBIMLTGTKFOWEU-GXTWGEPZSA-N 1 0 270.442 2.120 10 0 CEAERO CCC[C@@]1(C(=O)Nc2ccc(NC(C)=O)cc2)CC[NH2+]C1 ZINC000062889783 520944039 /nfs/dbraw/zinc/94/40/39/520944039.db2.gz PPAWQZFCJFWHIK-MRXNPFEDSA-N 1 0 289.379 2.363 10 0 CEAERO CC[N@H+](CC1CC1)C[C@](NC(C)C)(C(=O)OC)C1CC1 ZINC000069239605 520957725 /nfs/dbraw/zinc/95/77/25/520957725.db2.gz ZJVUQQWXGYUGSQ-MRXNPFEDSA-N 1 0 282.428 2.038 10 0 CEAERO CCCC[C@@H](CC)COCCC[C@](C)([NH2+]C)C(N)=O ZINC000045474639 521035330 /nfs/dbraw/zinc/03/53/30/521035330.db2.gz ASBXFBOXDVZWSK-HIFRSBDPSA-N 1 0 272.433 2.463 10 0 CEAERO CCOC(=O)[C@@H](CC[N@H+](CC(C)C)C1CC1)NC(C)C ZINC000062461114 521058069 /nfs/dbraw/zinc/05/80/69/521058069.db2.gz TZXCHXTWFWOCIO-OAHLLOKOSA-N 1 0 284.444 2.427 10 0 CEAERO CCC[C@H](C[NH2+]C)[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000052969127 521101915 /nfs/dbraw/zinc/10/19/15/521101915.db2.gz ZSSPPHUYOBIZGQ-YPMHNXCESA-N 1 0 267.394 2.193 10 0 CEAERO CCN(CCO)c1ccccc1C[NH2+]C(C)(C)C ZINC000062736454 521124945 /nfs/dbraw/zinc/12/49/45/521124945.db2.gz WDUUWUGWCGPSOT-UHFFFAOYSA-N 1 0 250.386 2.393 10 0 CEAERO CCOC(=O)[C@@](C)(C[N@@H+]1CCCC(C)(C)C1)NC1CC1 ZINC000069516929 521147907 /nfs/dbraw/zinc/14/79/07/521147907.db2.gz ZNFWUPWUELBENX-MRXNPFEDSA-N 1 0 282.428 2.182 10 0 CEAERO CCOc1ccc(OCc2cccnc2C(N)=[NH2+])cc1 ZINC000061658646 521180618 /nfs/dbraw/zinc/18/06/18/521180618.db2.gz ANMFIHSRGXIGCV-UHFFFAOYSA-N 1 0 271.320 2.343 10 0 CEAERO CCOC(=O)[C@H](C)Oc1cc(F)ccc1[C@H](C)[NH2+]C ZINC000062746179 521217030 /nfs/dbraw/zinc/21/70/30/521217030.db2.gz RKWQTFITWSFCHS-UWVGGRQHSA-N 1 0 269.316 2.437 10 0 CEAERO CCC[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NC)cc2)CCO1 ZINC000070345263 521247588 /nfs/dbraw/zinc/24/75/88/521247588.db2.gz KBRZTTMZEIWHRW-CVEARBPZSA-N 1 0 290.407 2.484 10 0 CEAERO CCN(C[C@H](C)C[NH3+])C(=O)c1cc(F)ccc1C ZINC000062664222 521249646 /nfs/dbraw/zinc/24/96/46/521249646.db2.gz ZLVUSDXJMCTROM-SNVBAGLBSA-N 1 0 252.333 2.191 10 0 CEAERO CCC[C@]1(C(=O)Nc2cccc(C(=O)OC)c2)CC[NH2+]C1 ZINC000062900777 521299984 /nfs/dbraw/zinc/29/99/84/521299984.db2.gz TXFQHLYDQXHIRO-INIZCTEOSA-N 1 0 290.363 2.192 10 0 CEAERO CCC(C)(C)[N@H+](C)CC[C@@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000069443344 521304881 /nfs/dbraw/zinc/30/48/81/521304881.db2.gz VIHBXAWTINXMAP-CQSZACIVSA-N 1 0 258.406 2.338 10 0 CEAERO CCOC(=O)[C@](C)(CC[N@@H+]1CCC[C@H](C)[C@@H]1C)NC ZINC000050567277 521319526 /nfs/dbraw/zinc/31/95/26/521319526.db2.gz VLCSKXAIQBVXPS-YDHLFZDLSA-N 1 0 270.417 2.038 10 0 CEAERO CCOC(=O)[C@](C)([NH3+])C[C@@H](C)n1nc(C)c(CC)c1C ZINC000068649208 521330790 /nfs/dbraw/zinc/33/07/90/521330790.db2.gz VUVOSLRLKYLUNB-MEBBXXQBSA-N 1 0 281.400 2.294 10 0 CEAERO CCOC(=O)[C@](C[N@H+](C)[C@@H](C)CC)(NC1CC1)C1CC1 ZINC000069096710 521339111 /nfs/dbraw/zinc/33/91/11/521339111.db2.gz YZSQHJCNBNZNAJ-BLLLJJGKSA-N 1 0 282.428 2.181 10 0 CEAERO CCOc1cccc([C@@H](Cc2cnn(C)c2)[NH2+]C)c1 ZINC000050542293 521413406 /nfs/dbraw/zinc/41/34/06/521413406.db2.gz SMAHHYFZIGQTOO-OAHLLOKOSA-N 1 0 259.353 2.322 10 0 CEAERO CCCN(C(=O)C1CCOCC1)c1ccc(C[NH3+])cc1 ZINC000061670908 521415930 /nfs/dbraw/zinc/41/59/30/521415930.db2.gz UVEFCBGRMSBOSG-UHFFFAOYSA-N 1 0 276.380 2.315 10 0 CEAERO CCOC(=O)c1cc(N)ccc1N[C@H](C)C[NH+]1CCCC1 ZINC000049189379 521437246 /nfs/dbraw/zinc/43/72/46/521437246.db2.gz SQIAOPPZKMZXLT-GFCCVEGCSA-N 1 0 291.395 2.342 10 0 CEAERO CCC[N@H+](C)C[C@@](NC(C)C)(C(=O)OCC)C1CC1 ZINC000069096956 521496097 /nfs/dbraw/zinc/49/60/97/521496097.db2.gz UJCOJKNWYWIUHJ-HNNXBMFYSA-N 1 0 270.417 2.038 10 0 CEAERO CCCc1nc(N(C)C2CC[NH+](C)CC2)sc1C=O ZINC000054967090 521529040 /nfs/dbraw/zinc/52/90/40/521529040.db2.gz ZHWUGIBMSUXSPM-UHFFFAOYSA-N 1 0 281.425 2.439 10 0 CEAERO CC[NH+]1CCC(CNC(=O)c2cc(C)ccc2N)CC1 ZINC000053004554 521551227 /nfs/dbraw/zinc/55/12/27/521551227.db2.gz SVYYEHZTJWTQEZ-UHFFFAOYSA-N 1 0 275.396 2.039 10 0 CEAERO CCCN(CC(=O)Nc1ccccc1)[C@](C)(CC)C[NH3+] ZINC000050092102 521551635 /nfs/dbraw/zinc/55/16/35/521551635.db2.gz WCQPYOBFQJREGY-MRXNPFEDSA-N 1 0 277.412 2.465 10 0 CEAERO CCC(CC)NC(=O)[C@H](C)[NH2+][C@H](CC(C)C)CN(C)C ZINC000049555875 521591854 /nfs/dbraw/zinc/59/18/54/521591854.db2.gz NULYAWKTTYWYQS-DZGCQCFKSA-N 1 0 285.476 2.246 10 0 CEAERO CCCn1c(S[C@@H](c2ccsc2)[C@H](C)[NH3+])n[nH]c1=O ZINC000061594923 521635645 /nfs/dbraw/zinc/63/56/45/521635645.db2.gz QAQFVTGRQGGQQD-WCBMZHEXSA-N 1 0 298.437 2.224 10 0 CEAERO CCCN(CCC[NH3+])C(=O)c1cc(C)ccc1OC ZINC000052943285 521653279 /nfs/dbraw/zinc/65/32/79/521653279.db2.gz TZNDOIZEDLQMOE-UHFFFAOYSA-N 1 0 264.369 2.205 10 0 CEAERO CCC1(C(=O)N2CCC[C@@H](C)[C@H]2C)CC[NH2+]CC1 ZINC000062850237 521662152 /nfs/dbraw/zinc/66/21/52/521662152.db2.gz QWAYTMNXRDWATD-CHWSQXEVSA-N 1 0 252.402 2.413 10 0 CEAERO CCC[N@H+](CCO)C[C@H]1C[C@H](C(C)C)CCC1=O ZINC000054559184 521667153 /nfs/dbraw/zinc/66/71/53/521667153.db2.gz JOYCOVIAQAPSRO-ZIAGYGMSSA-N 1 0 255.402 2.332 10 0 CEAERO CCC[N@H+](C[C@@](NC)(C(=O)OCC)C1CC1)C(C)C ZINC000069097783 521676057 /nfs/dbraw/zinc/67/60/57/521676057.db2.gz KVLCFMQSNITBDL-HNNXBMFYSA-N 1 0 270.417 2.038 10 0 CEAERO CCC1(CC)CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000062958098 521685903 /nfs/dbraw/zinc/68/59/03/521685903.db2.gz UOKVVFCVJBUXOR-CYBMUJFWSA-N 1 0 252.402 2.415 10 0 CEAERO CCCN1C(=O)C[C@@H]([NH2+][C@H](C)C2CCCCC2)C1=O ZINC000052336319 521699629 /nfs/dbraw/zinc/69/96/29/521699629.db2.gz QQJVUXIXPSHVDY-DGCLKSJQSA-N 1 0 266.385 2.082 10 0 CEAERO CCOCCCC[NH2+]CCSc1nncs1 ZINC000053611390 521703649 /nfs/dbraw/zinc/70/36/49/521703649.db2.gz QBTGOIZPBFVXPU-UHFFFAOYSA-N 1 0 261.416 2.037 10 0 CEAERO CC[N@@H+]1CC[C@@H](CNc2cc(C)nc(Cl)n2)C1 ZINC000052814434 521711216 /nfs/dbraw/zinc/71/12/16/521711216.db2.gz PPHDXQUQPJCQCY-JTQLQIEISA-N 1 0 254.765 2.192 10 0 CEAERO CNC(=O)[C@H]1CCCN1c1ccccc1C[NH2+]CC(C)C ZINC000062737516 521754297 /nfs/dbraw/zinc/75/42/97/521754297.db2.gz UIMOASNQOGYOCD-MRXNPFEDSA-N 1 0 289.423 2.147 10 0 CEAERO COCCSc1cc(C(N)=[NH2+])c2ccccc2n1 ZINC000068798418 521781024 /nfs/dbraw/zinc/78/10/24/521781024.db2.gz YLOCFCGHWXQKOC-UHFFFAOYSA-N 1 0 261.350 2.257 10 0 CEAERO COc1c(C)cnc(CN2CC[NH2+][C@H](C(C)C)C2)c1C ZINC000068692581 521812241 /nfs/dbraw/zinc/81/22/41/521812241.db2.gz YWQNWZLGXSYURK-AWEZNQCLSA-N 1 0 277.412 2.137 10 0 CEAERO COc1c(C)cnc(Cn2nc(C)c(CC[NH3+])c2C)c1C ZINC000054740941 521814757 /nfs/dbraw/zinc/81/47/57/521814757.db2.gz UWPWDZYZAWVKIH-UHFFFAOYSA-N 1 0 288.395 2.070 10 0 CEAERO COc1c(C)cnc(C[C@@]2(C[NH2+]C3CC3)CCOC2)c1C ZINC000054665272 521815732 /nfs/dbraw/zinc/81/57/32/521815732.db2.gz WMFYYXVQHPXYMQ-QGZVFWFLSA-N 1 0 290.407 2.408 10 0 CEAERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1c[nH]c2ccccc12 ZINC000061655632 521832625 /nfs/dbraw/zinc/83/26/25/521832625.db2.gz YRERGSZHTPXRDV-LBPRGKRZSA-N 1 0 271.364 2.334 10 0 CEAERO COCC[C@@H]([NH3+])c1nc2cc(Cl)ccc2n1C ZINC000052785235 521835265 /nfs/dbraw/zinc/83/52/65/521835265.db2.gz UMXSFZAGYISTSG-SECBINFHSA-N 1 0 253.733 2.263 10 0 CEAERO CN(C)C[C@H]1CCC[N@@H+]1Cc1ccc(N)c2cccnc12 ZINC000061641840 521871456 /nfs/dbraw/zinc/87/14/56/521871456.db2.gz JXNKXQVFUMOLGA-CQSZACIVSA-N 1 0 284.407 2.343 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1c1c(N)cccc1Cl ZINC000061642864 521874252 /nfs/dbraw/zinc/87/42/52/521874252.db2.gz WSZXOMCPSKALAT-SNVBAGLBSA-N 1 0 253.777 2.453 10 0 CEAERO C[NH2+]C(C)(C)C(=O)NCc1ccccc1OC(F)(F)F ZINC000061318670 521936584 /nfs/dbraw/zinc/93/65/84/521936584.db2.gz UYVYQTAFRDQLMV-UHFFFAOYSA-N 1 0 290.285 2.199 10 0 CEAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(C(=O)OC(C)C)cc1 ZINC000061300763 521941727 /nfs/dbraw/zinc/94/17/27/521941727.db2.gz UHIXPRJOYGDCOS-UHFFFAOYSA-N 1 0 278.352 2.188 10 0 CEAERO C[NH2+]C(C)(C)c1nnc2ccc(C(F)(F)F)cn21 ZINC000061151282 521947834 /nfs/dbraw/zinc/94/78/34/521947834.db2.gz SKPJDSQLZRQISE-UHFFFAOYSA-N 1 0 258.247 2.203 10 0 CEAERO COCC[C@H]([NH3+])CN(Cc1cccs1)C1CC1 ZINC000052810879 521951862 /nfs/dbraw/zinc/95/18/62/521951862.db2.gz GNCJTENAJBUFEV-NSHDSACASA-N 1 0 254.399 2.076 10 0 CEAERO CCc1ccccc1[C@H](C[NH3+])N1CCSCC1 ZINC000052203413 521953458 /nfs/dbraw/zinc/95/34/58/521953458.db2.gz HBBXRDSDOVEYEZ-AWEZNQCLSA-N 1 0 250.411 2.298 10 0 CEAERO C[NH2+]CCCc1nnc(-c2cccc3ncccc32)o1 ZINC000061439381 522003522 /nfs/dbraw/zinc/00/35/22/522003522.db2.gz UYFKQHRERANJBQ-UHFFFAOYSA-N 1 0 268.320 2.437 10 0 CEAERO COCCc1ccc(OCc2cc[nH+]c(NN)c2)cc1 ZINC000052729778 522013222 /nfs/dbraw/zinc/01/32/22/522013222.db2.gz POUKXSAZPUSWML-UHFFFAOYSA-N 1 0 273.336 2.135 10 0 CEAERO C[NH2+]CCc1nnc(-c2ccc(OC(F)F)cc2)o1 ZINC000050619494 522022624 /nfs/dbraw/zinc/02/26/24/522022624.db2.gz UEOHXKAFOKVQIG-UHFFFAOYSA-N 1 0 269.251 2.100 10 0 CEAERO C[NH2+]CCc1nnc(Cc2ccccc2Cl)o1 ZINC000050619599 522023446 /nfs/dbraw/zinc/02/34/46/522023446.db2.gz YBDZGCOFUNEOHU-UHFFFAOYSA-N 1 0 251.717 2.076 10 0 CEAERO C[NH2+]C[C@@H](C)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000052418994 522029985 /nfs/dbraw/zinc/02/99/85/522029985.db2.gz NAMLGBKXNWXGTL-CYBMUJFWSA-N 1 0 281.831 2.318 10 0 CEAERO C[NH2+]C[C@@H](OC[C@@H]1CCCO1)c1ccccc1OC ZINC000050494640 522036129 /nfs/dbraw/zinc/03/61/29/522036129.db2.gz IXZCSCPLBOACFL-SWLSCSKDSA-N 1 0 265.353 2.151 10 0 CEAERO C[NH2+]C[C@@H](OC[C@H]1CCOC1)c1cccc(OC)c1 ZINC000050501805 522038639 /nfs/dbraw/zinc/03/86/39/522038639.db2.gz AVTVFLCHJXRMMW-SWLSCSKDSA-N 1 0 265.353 2.009 10 0 CEAERO C[NH2+]C[C@@H]1CCN(c2cc(C)c(Br)cn2)C1 ZINC000163956595 522055984 /nfs/dbraw/zinc/05/59/84/522055984.db2.gz WUFOLRAZXVJVOH-JTQLQIEISA-N 1 0 284.201 2.198 10 0 CEAERO C[NH2+]Cc1cccc(-n2cc(Br)cn2)c1 ZINC000068983668 522128505 /nfs/dbraw/zinc/12/85/05/522128505.db2.gz RLLORVDVSCGABU-UHFFFAOYSA-N 1 0 266.142 2.354 10 0 CEAERO C[NH2+]Cc1c2ccccc2oc1CN1CCO[C@@H](C)C1 ZINC000052382624 522100763 /nfs/dbraw/zinc/10/07/63/522100763.db2.gz REJQSMFEVADAKX-LBPRGKRZSA-N 1 0 274.364 2.373 10 0 CEAERO C[NH2+]Cc1c(C)nn([C@H]2CCCCC[C@@H]2O)c1C ZINC000054600444 522100999 /nfs/dbraw/zinc/10/09/99/522100999.db2.gz LXPBCCHCCCTAJL-KBPBESRZSA-N 1 0 251.374 2.085 10 0 CEAERO C[NH+](C)[C@H]1CCN(c2ccc(N)cc2Br)C1 ZINC000062965504 522104958 /nfs/dbraw/zinc/10/49/58/522104958.db2.gz KSSIYDLGZVNYAS-JTQLQIEISA-N 1 0 284.201 2.172 10 0 CEAERO CC[C@@H](C)N1C(=O)C[C@H]([NH2+][C@@H](C)c2ccsc2)C1=O ZINC000061361958 522105508 /nfs/dbraw/zinc/10/55/08/522105508.db2.gz QDAXYPZJDCXSAB-SCVCMEIPSA-N 1 0 280.393 2.325 10 0 CEAERO COc1cc(C(=O)N[C@@H]2CCCCC[C@@H]2[NH3+])ccc1C ZINC000063211388 522134757 /nfs/dbraw/zinc/13/47/57/522134757.db2.gz LWNCQSOHBUGWNB-UONOGXRCSA-N 1 0 276.380 2.393 10 0 CEAERO COC(=O)c1cccc(NC(=O)CC[C@H]2CCCC[NH2+]2)c1 ZINC000050950624 522221691 /nfs/dbraw/zinc/22/16/91/522221691.db2.gz MYDMIDRHPIZUGK-CYBMUJFWSA-N 1 0 290.363 2.334 10 0 CEAERO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2C[C@@H]2C)c1 ZINC000183491541 522228324 /nfs/dbraw/zinc/22/83/24/522228324.db2.gz KRLCAYXFAHTAAU-MJVIPROJSA-N 1 0 290.363 2.188 10 0 CEAERO COC(=O)c1ccccc1C[NH2+]CCCSC ZINC000069432366 522263773 /nfs/dbraw/zinc/26/37/73/522263773.db2.gz QBOBEMIRRVYXGE-UHFFFAOYSA-N 1 0 253.367 2.316 10 0 CEAERO CC[C@H]([NH3+])Cc1cnc(Cc2nc(C)cs2)nc1 ZINC000055270033 522334816 /nfs/dbraw/zinc/33/48/16/522334816.db2.gz QGXWHPGLQHLSGH-NSHDSACASA-N 1 0 262.382 2.112 10 0 CEAERO C[NH2+][C@@H](c1ccc(Br)cc1)[C@@H]1COCCO1 ZINC000055299276 522367207 /nfs/dbraw/zinc/36/72/07/522367207.db2.gz GTYOVWRTJJAFCD-RYUDHWBXSA-N 1 0 286.169 2.125 10 0 CEAERO C[NH2+][C@@H](c1cnn(C)c1)C1(c2ccccc2)CCOCC1 ZINC000062783735 522374896 /nfs/dbraw/zinc/37/48/96/522374896.db2.gz JKNRMTQDOULTRI-INIZCTEOSA-N 1 0 285.391 2.429 10 0 CEAERO CCc1nc(N(C)CC(F)(F)F)sc1C[NH2+]C ZINC000054998073 522378747 /nfs/dbraw/zinc/37/87/47/522378747.db2.gz QRKVYZHCOFAPQJ-UHFFFAOYSA-N 1 0 267.320 2.423 10 0 CEAERO C[NH2+][C@@H]1CCCc2nc(N(C)Cc3cnn(C)c3)sc21 ZINC000054908728 522390111 /nfs/dbraw/zinc/39/01/11/522390111.db2.gz CSYVXHGZVZMPSN-LLVKDONJSA-N 1 0 291.424 2.110 10 0 CEAERO C[NH2+][C@@H]1CCc2c1cccc2OCc1nccn1C ZINC000062799080 522398011 /nfs/dbraw/zinc/39/80/11/522398011.db2.gz NTZFZNVDHVPXIX-CYBMUJFWSA-N 1 0 257.337 2.206 10 0 CEAERO CN[C@@](C[N@H+](C)[C@@H]1CCCC[C@@H]1C)(C(=O)OC)C1CC1 ZINC000069132447 522422016 /nfs/dbraw/zinc/42/20/16/522422016.db2.gz JMNQIJXEHCHNAK-JGGQBBKZSA-N 1 0 282.428 2.038 10 0 CEAERO CN[C@@](C[N@H+](C)C1CCCCCC1)(C(=O)OC)C1CC1 ZINC000069100557 522422519 /nfs/dbraw/zinc/42/25/19/522422519.db2.gz ASAMAYRHRWGOBZ-MRXNPFEDSA-N 1 0 282.428 2.182 10 0 CEAERO C[NH2+][C@H](C)[C@H](C)N1CCN(c2cccc(C)c2C)CC1 ZINC000059261600 522445056 /nfs/dbraw/zinc/44/50/56/522445056.db2.gz GDSYTDJYBNPOBG-CVEARBPZSA-N 1 0 275.440 2.422 10 0 CEAERO C[NH2+][C@H](C)c1cnc(N2C[C@@H](C)OC(C)(C)C2)s1 ZINC000054908069 522453434 /nfs/dbraw/zinc/45/34/34/522453434.db2.gz ZYJRGBZCLQKDIX-NXEZZACHSA-N 1 0 269.414 2.427 10 0 CEAERO COc1cc(C[NH2+]C[C@H](C)CSC)cc(OC)c1O ZINC000069434726 522460306 /nfs/dbraw/zinc/46/03/06/522460306.db2.gz COCKCYQEKQAPFH-JTQLQIEISA-N 1 0 285.409 2.498 10 0 CEAERO C[NH2+][C@H](c1ccc2c(c1)CC(=O)N2)[C@H]1CCCCO1 ZINC000050961587 522483032 /nfs/dbraw/zinc/48/30/32/522483032.db2.gz UBNVNHDTJPAGFW-UKRRQHHQSA-N 1 0 260.337 2.011 10 0 CEAERO C[NH2+][C@H](c1ccc2c(c1)CCC(=O)N2)[C@@H]1CCCOC1 ZINC000062231430 522483596 /nfs/dbraw/zinc/48/35/96/522483596.db2.gz APNSFVXTQHCFRF-CZUORRHYSA-N 1 0 274.364 2.258 10 0 CEAERO C[NH2+][C@H]1CCCN(c2cc(C)c(Br)cn2)C1 ZINC000163954646 522498384 /nfs/dbraw/zinc/49/83/84/522498384.db2.gz JTDYAQHDABTASG-JTQLQIEISA-N 1 0 284.201 2.341 10 0 CEAERO CCc1nc2ccccc2n1CCC[C@@](C)([NH3+])C(=O)OC ZINC000062808034 522502104 /nfs/dbraw/zinc/50/21/04/522502104.db2.gz FITKFTMLWONZTD-MRXNPFEDSA-N 1 0 289.379 2.269 10 0 CEAERO C[NH2+][C@H]1CCO[C@@H](c2ccc3c(c2)OCCCO3)C1 ZINC000070340589 522504994 /nfs/dbraw/zinc/50/49/94/522504994.db2.gz LZHUMRIKMAXFSJ-GXTWGEPZSA-N 1 0 263.337 2.287 10 0 CEAERO COC[C@@](C)([NH3+])Cc1ccc(OC)c(Br)c1 ZINC000053173636 522524196 /nfs/dbraw/zinc/52/41/96/522524196.db2.gz ANCUKLQLRJVJQU-LBPRGKRZSA-N 1 0 288.185 2.364 10 0 CEAERO C[NH2+][C@](CSc1ccc(Cl)cc1)(C(N)=O)C1CC1 ZINC000069185404 522532022 /nfs/dbraw/zinc/53/20/22/522532022.db2.gz UHNRIKJUFKLSFZ-ZDUSSCGKSA-N 1 0 284.812 2.286 10 0 CEAERO CCc1nccn1-c1c(C[NH2+]C(C)(C)C)c(C)nn1C ZINC000062738810 522580325 /nfs/dbraw/zinc/58/03/25/522580325.db2.gz ULDJTCUASINSIG-UHFFFAOYSA-N 1 0 275.400 2.365 10 0 CEAERO COc1cc(F)c([C@@H]([NH3+])[C@@H]2CCCOC2)cc1OC ZINC000062235157 522585606 /nfs/dbraw/zinc/58/56/06/522585606.db2.gz OLSZJTQFVHMZLO-OTYXRUKQSA-N 1 0 269.316 2.269 10 0 CEAERO CNc1ccc(C(=O)NCC[NH+](C)C)cc1C(F)(F)F ZINC000050725918 522588230 /nfs/dbraw/zinc/58/82/30/522588230.db2.gz UHHPRPMSTJECRC-UHFFFAOYSA-N 1 0 289.301 2.039 10 0 CEAERO COc1cc(F)c([C@H]([NH3+])[C@@H]2CCCO2)cc1OC ZINC000061560742 522589314 /nfs/dbraw/zinc/58/93/14/522589314.db2.gz UTAAMRAMEIENKA-GWCFXTLKSA-N 1 0 255.289 2.022 10 0 CEAERO CNc1ccc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1 ZINC000050777075 522595836 /nfs/dbraw/zinc/59/58/36/522595836.db2.gz WERSGHNEGJELON-OAHLLOKOSA-N 1 0 277.412 2.434 10 0 CEAERO CC[C@@H]([NH3+])Cc1c(C)nn(CCc2ccncc2)c1C ZINC000062803320 522640724 /nfs/dbraw/zinc/64/07/24/522640724.db2.gz SHEXRQZVELMRJS-OAHLLOKOSA-N 1 0 272.396 2.417 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccc(O[C@H](CC)C(N)=O)c(Cl)c1 ZINC000061678486 522643290 /nfs/dbraw/zinc/64/32/90/522643290.db2.gz IJVITEGBKJTADK-ZYHUDNBSSA-N 1 0 284.787 2.263 10 0 CEAERO CC[C@@H]([NH3+])Cc1cnn(Cc2ccccc2OC)c1 ZINC000054741660 522644675 /nfs/dbraw/zinc/64/46/75/522644675.db2.gz XGHLBYBSVYXWBI-CQSZACIVSA-N 1 0 259.353 2.220 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccco1)N1CCC[C@@H]1CCCO ZINC000052757414 522652914 /nfs/dbraw/zinc/65/29/14/522652914.db2.gz QHKJBFGIVYYVLU-UMVBOHGHSA-N 1 0 266.385 2.295 10 0 CEAERO CC[C@H](NS(=O)(=O)c1cccc([C@@H](C)[NH3+])c1)C(C)C ZINC000049147324 522682793 /nfs/dbraw/zinc/68/27/93/522682793.db2.gz FHLFUJWLOCUYAI-RISCZKNCSA-N 1 0 284.425 2.419 10 0 CEAERO COC1CC[NH+]([C@@H]2C[C@@H](C(C)C)CC[C@@H]2O)CC1 ZINC000054558244 522706298 /nfs/dbraw/zinc/70/62/98/522706298.db2.gz UNSLEXAQTMYWBO-CFVMTHIKSA-N 1 0 255.402 2.283 10 0 CEAERO CC[C@H]([NH2+][C@H](C)c1cccc(Br)c1)C(N)=O ZINC000061676814 522739388 /nfs/dbraw/zinc/73/93/88/522739388.db2.gz LIEPTAIIHDREQJ-KCJUWKMLSA-N 1 0 285.185 2.364 10 0 CEAERO CC[C@@H](NC(=O)c1ccc(NN)[nH+]c1)c1ccccc1 ZINC000051630334 522786700 /nfs/dbraw/zinc/78/67/00/522786700.db2.gz DHAOZBWNHAWOTF-CYBMUJFWSA-N 1 0 270.336 2.248 10 0 CEAERO CC[C@H]1CCCC[N@@H+]1C[C@](NC1CC1)(C(=O)OC)C1CC1 ZINC000069097234 523028202 /nfs/dbraw/zinc/02/82/02/523028202.db2.gz CHVHSTDIAQROOI-DOTOQJQBSA-N 1 0 294.439 2.325 10 0 CEAERO CC[C@@H](Oc1cc(OC)ccc1C[NH2+]C(C)(C)C)C(N)=O ZINC000062733151 523038682 /nfs/dbraw/zinc/03/86/82/523038682.db2.gz SXVQXRLTMPZMSG-CYBMUJFWSA-N 1 0 294.395 2.226 10 0 CEAERO COC(=O)CC[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000157803295 523072075 /nfs/dbraw/zinc/07/20/75/523072075.db2.gz ZLPIUGNIKTZGGR-NSHDSACASA-N 1 0 268.382 2.194 10 0 CEAERO COCc1cccc(NC(=O)[C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000049511977 523073524 /nfs/dbraw/zinc/07/35/24/523073524.db2.gz PXYLJNVIDIJMEU-DGCLKSJQSA-N 1 0 262.353 2.160 10 0 CEAERO COC(=O)CC[C@@H]([NH3+])Cc1ccc(Br)s1 ZINC000061893203 523113672 /nfs/dbraw/zinc/11/36/72/523113672.db2.gz QDZDKIXSGOTSTM-SSDOTTSWSA-N 1 0 292.198 2.334 10 0 CEAERO CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc(C[NH3+])c1 ZINC000049120908 523198440 /nfs/dbraw/zinc/19/84/40/523198440.db2.gz SGPAZWUYOYEKLQ-HIFRSBDPSA-N 1 0 296.436 2.392 10 0 CEAERO CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC(=O)N(C(C)C)C1=O ZINC000049118460 523223301 /nfs/dbraw/zinc/22/33/01/523223301.db2.gz RJLDYKOPXVIACS-JHJVBQTASA-N 1 0 266.385 2.081 10 0 CEAERO CC[C@H]1CN(c2nc(C)c(C[NH2+]C3CC3)s2)CCO1 ZINC000054997393 523308800 /nfs/dbraw/zinc/30/88/00/523308800.db2.gz BZOGZOYDYOVOCY-LBPRGKRZSA-N 1 0 281.425 2.319 10 0 CEAERO CC[C@H]1COCCN1[C@@H](C[NH3+])c1ccc(F)cc1C ZINC000050578639 523336731 /nfs/dbraw/zinc/33/67/31/523336731.db2.gz UPANCNNJEBXUJU-ZFWWWQNUSA-N 1 0 266.360 2.245 10 0 CEAERO CCn1cc(CC2(C[NH2+]CCOC)CCCC2)cn1 ZINC000054656122 523363157 /nfs/dbraw/zinc/36/31/57/523363157.db2.gz LMJWSQMIQMJSJR-UHFFFAOYSA-N 1 0 265.401 2.242 10 0 CEAERO COC(=O)N1CC[N@H+](CCc2ccccc2)[C@H](C)C1 ZINC000062691164 523430741 /nfs/dbraw/zinc/43/07/41/523430741.db2.gz GGRAHWVPENJRKL-CYBMUJFWSA-N 1 0 262.353 2.002 10 0 CEAERO CN(Cc1ccnc(C(N)=[NH2+])c1)c1cccc(F)c1 ZINC000068761797 523452476 /nfs/dbraw/zinc/45/24/76/523452476.db2.gz NVJWTBYYEHSGJX-UHFFFAOYSA-N 1 0 258.300 2.141 10 0 CEAERO CC[C@](C)([NH3+])c1noc([C@H](OC)c2ccccc2)n1 ZINC000050438357 523475754 /nfs/dbraw/zinc/47/57/54/523475754.db2.gz DAMZCSJQVRLMIY-RISCZKNCSA-N 1 0 261.325 2.389 10 0 CEAERO COc1ccc(Br)c(-c2nnc(CC[NH3+])o2)c1 ZINC000050283781 523477523 /nfs/dbraw/zinc/47/75/23/523477523.db2.gz ZASIUOZNTAAPLG-UHFFFAOYSA-N 1 0 298.140 2.009 10 0 CEAERO CC[C@@H]1COCCN1Cc1occc1C[NH2+]C(C)C ZINC000052481431 523502034 /nfs/dbraw/zinc/50/20/34/523502034.db2.gz KWCJYMNCUACQJN-CQSZACIVSA-N 1 0 266.385 2.388 10 0 CEAERO CC[C@@H]1COCCN1Cc1ccoc1C[NH2+]C(C)C ZINC000052481485 523502168 /nfs/dbraw/zinc/50/21/68/523502168.db2.gz 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/nfs/dbraw/zinc/54/92/65/523549265.db2.gz YEGUZDSUSOKUPP-UHFFFAOYSA-N 1 0 273.336 2.329 10 0 CEAERO CC[C@]1(C)C[NH2+][C@H](C)CN1Cc1cn2ccccc2n1 ZINC000068698408 523577496 /nfs/dbraw/zinc/57/74/96/523577496.db2.gz KXNCZJOSFONPQT-CZUORRHYSA-N 1 0 272.396 2.297 10 0 CEAERO COc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1F ZINC000061669317 523636872 /nfs/dbraw/zinc/63/68/72/523636872.db2.gz JVVVJPMKBGVSEO-ZIAGYGMSSA-N 1 0 292.354 2.191 10 0 CEAERO CC[C@@]1(C(=O)N2CCn3c(C)ccc3[C@H]2C)CCC[NH2+]C1 ZINC000062856387 523692737 /nfs/dbraw/zinc/69/27/37/523692737.db2.gz AEOUKMWVNOUSKY-RHSMWYFYSA-N 1 0 289.423 2.480 10 0 CEAERO CC[C@@]1(C(=O)NCCc2ccsc2)CCC[NH2+]C1 ZINC000062859909 523693420 /nfs/dbraw/zinc/69/34/20/523693420.db2.gz ARIAQOVWYUYWAN-CQSZACIVSA-N 1 0 266.410 2.187 10 0 CEAERO CC[C@@]1(C(=O)Nc2ccc(Br)cn2)CC[NH2+]C1 ZINC000062889985 523698523 /nfs/dbraw/zinc/69/85/23/523698523.db2.gz DYNAAROSCMTIQN-GFCCVEGCSA-N 1 0 298.184 2.172 10 0 CEAERO COc1ccc(C(=O)NCc2ccc(C[NH3+])cc2)cc1F 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2.257 10 0 CEAERO COc1cccc2c1N(C(=O)C1(C)CC[NH2+]CC1)CCC2 ZINC000062840853 524228942 /nfs/dbraw/zinc/22/89/42/524228942.db2.gz PSNRAOQXYPHUJG-UHFFFAOYSA-N 1 0 288.391 2.364 10 0 CEAERO Cc1ccc(CC(=O)N2C[C@H](C[NH3+])CC[C@@H]2C)cc1 ZINC000070179624 524258358 /nfs/dbraw/zinc/25/83/58/524258358.db2.gz KBCCMONVAIACJC-ZFWWWQNUSA-N 1 0 260.381 2.123 10 0 CEAERO COc1ccc(Cn2nc(C)c(CC[NH3+])c2C)cc1OC ZINC000062802714 524266434 /nfs/dbraw/zinc/26/64/34/524266434.db2.gz NWUGJYKVNQCYEH-UHFFFAOYSA-N 1 0 289.379 2.067 10 0 CEAERO Cc1ccc(CCC(=O)N2[C@H]3C[NH2+]C[C@@H]3C[C@@H]2C)cc1 ZINC000052946095 524292795 /nfs/dbraw/zinc/29/27/95/524292795.db2.gz MQKNJEMHYSHTST-BPUTZDHNSA-N 1 0 272.392 2.136 10 0 CEAERO C[C@@H]1CCC[C@@H]([N@H+](C)[C@@H](CN)C2CCOCC2)C1 ZINC000052177638 524302322 /nfs/dbraw/zinc/30/23/22/524302322.db2.gz RAYZWQGMWHPREX-YUELXQCFSA-N 1 0 254.418 2.251 10 0 CEAERO C[C@H](C[NH3+])c1noc(-c2ccccc2OC(F)F)n1 ZINC000054158670 524311974 /nfs/dbraw/zinc/31/19/74/524311974.db2.gz YFBDJRIKOSVCOT-SSDOTTSWSA-N 1 0 269.251 2.400 10 0 CEAERO C[C@H](C[NH+]1CCCC1)NCC(=O)Nc1cccc(Cl)c1 ZINC000049180345 524316529 /nfs/dbraw/zinc/31/65/29/524316529.db2.gz ZOWYPQSTLSXHDY-GFCCVEGCSA-N 1 0 295.814 2.352 10 0 CEAERO C[C@H](CN1CCCC1)[NH2+][C@@H](C)C(=O)Nc1ccccc1 ZINC000049180486 524319704 /nfs/dbraw/zinc/31/97/04/524319704.db2.gz BGFWAGGRYGTDNR-KGLIPLIRSA-N 1 0 275.396 2.088 10 0 CEAERO C[C@H](CN1CCCCC1)[NH2+][C@@H](C)C(=O)Nc1ccccc1 ZINC000049501962 524333814 /nfs/dbraw/zinc/33/38/14/524333814.db2.gz ABRHQRRHLZTMNQ-CABCVRRESA-N 1 0 289.423 2.478 10 0 CEAERO C[C@@H]1CCC[C@H](N(C)C(=O)c2ccc(NN)[nH+]c2)C1 ZINC000051095133 524390468 /nfs/dbraw/zinc/39/04/68/524390468.db2.gz YRJLCNREUVGPLP-PWSUYJOCSA-N 1 0 262.357 2.018 10 0 CEAERO Cc1ccc(C[NH3+])cc1N1C(=O)Cc2ccccc2C1=O ZINC000050430516 524424601 /nfs/dbraw/zinc/42/46/01/524424601.db2.gz FJHXLWJYWBQDKK-UHFFFAOYSA-N 1 0 280.327 2.183 10 0 CEAERO C[C@H]1CCc2ccccc2N1Cc1cc(C[NH3+])no1 ZINC000052417038 524441225 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COc1ccc(NC(=O)[C@H]2CC[C@@H](C)[NH2+]C2)cc1C ZINC000049532363 524615703 /nfs/dbraw/zinc/61/57/03/524615703.db2.gz UQQNAGQHONKQGY-NEPJUHHUSA-N 1 0 262.353 2.330 10 0 CEAERO COc1ccc(NC(=O)[C@H]2CC[C@@H](C)[NH2+]C2)c(C)c1 ZINC000061568489 524616838 /nfs/dbraw/zinc/61/68/38/524616838.db2.gz QAALNFQHUPYUGG-NEPJUHHUSA-N 1 0 262.353 2.330 10 0 CEAERO COc1ccc(NC(=O)[C@H]2[NH2+]CCC[C@H]2C)c(C)c1 ZINC000061568490 524618758 /nfs/dbraw/zinc/61/87/58/524618758.db2.gz GWHYXNKJWRKSNU-YGRLFVJLSA-N 1 0 262.353 2.330 10 0 CEAERO C[C@@H](CN1CCOCC1)[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000069378284 524630472 /nfs/dbraw/zinc/63/04/72/524630472.db2.gz BYVVKCMCYDUWSU-AVGNSLFASA-N 1 0 294.361 2.418 10 0 CEAERO C[C@@H]1CC[C@H](C)C[C@H]1[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000068612166 524650641 /nfs/dbraw/zinc/65/06/41/524650641.db2.gz WNOKUVSFIMEUML-YWPYICTPSA-N 1 0 296.436 2.248 10 0 CEAERO C[C@H](C[C@](C)([NH2+]C1CC1)C(=O)[O-])[N@H+](CC1CC1)C1CC1 ZINC000068648297 524654085 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CSCCC[NH2+][C@H](C)C(=O)Nc1ccccc1 ZINC000069447151 525481886 /nfs/dbraw/zinc/48/18/86/525481886.db2.gz MZLORZWZPAQHTB-LLVKDONJSA-N 1 0 252.383 2.356 10 0 CEAERO Cc1cc([C@@H]([NH2+]C2CCCC2)C(N)=O)ccc1F ZINC000050558972 525483159 /nfs/dbraw/zinc/48/31/59/525483159.db2.gz FINGHTTUYBXPFT-CYBMUJFWSA-N 1 0 250.317 2.193 10 0 CEAERO C[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(=O)c1ccc2ncccc2c1 ZINC000061416031 525513204 /nfs/dbraw/zinc/51/32/04/525513204.db2.gz JMRNZIGBYSPAFV-WPGHFRTFSA-N 1 0 281.359 2.057 10 0 CEAERO Cc1cc2[nH]c(CC[NH3+])nc2cc1Br ZINC000062152822 525583378 /nfs/dbraw/zinc/58/33/78/525583378.db2.gz JXUCTASJJZOYEN-UHFFFAOYSA-N 1 0 254.131 2.135 10 0 CEAERO C[C@H]([NH2+][C@H]1CCCS(=O)(=O)C1)c1ccc(F)c(F)c1 ZINC000069135876 525610956 /nfs/dbraw/zinc/61/09/56/525610956.db2.gz LKGMVSYOMBXDQO-ONGXEEELSA-N 1 0 289.347 2.193 10 0 CEAERO CSC[C@@H](C)C[NH2+]C[C@H](O)COCCCC(C)C ZINC000069447819 525622165 /nfs/dbraw/zinc/62/21/65/525622165.db2.gz AZYJEDSSUUYPBT-KBPBESRZSA-N 1 0 277.474 2.389 10 0 CEAERO C[C@@H]1[C@@H](C)CCCN1c1nc2sccn2c1C[NH3+] ZINC000050566070 525644158 /nfs/dbraw/zinc/64/41/58/525644158.db2.gz IPSKHDUYTJUGEJ-VHSXEESVSA-N 1 0 264.398 2.479 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)c2ccc(NN)[nH+]c2)s1 ZINC000051124050 525718234 /nfs/dbraw/zinc/71/82/34/525718234.db2.gz DAKBYGDVKIDZHE-SECBINFHSA-N 1 0 276.365 2.228 10 0 CEAERO C[C@@H](Nc1ncnc2sccc21)[C@@H]1CCC[NH2+]C1 ZINC000050163650 525733828 /nfs/dbraw/zinc/73/38/28/525733828.db2.gz FJITUXLIKNXFAB-NXEZZACHSA-N 1 0 262.382 2.491 10 0 CEAERO COc1cccc(-c2noc([C@@]3(C)CCC[NH2+]C3)n2)c1 ZINC000062872028 525740379 /nfs/dbraw/zinc/74/03/79/525740379.db2.gz WFLHFESADZTWJI-HNNXBMFYSA-N 1 0 273.336 2.386 10 0 CEAERO C[C@@]([NH3+])(C(=O)NCc1cccs1)c1ccccc1 ZINC000052881426 525746360 /nfs/dbraw/zinc/74/63/60/525746360.db2.gz BPYWOAKHVIKNDR-AWEZNQCLSA-N 1 0 260.362 2.238 10 0 CEAERO Cc1ccc([C@@H](O)[C@@H](C)[N@@H+]2CCC[C@@H]2CN(C)C)cc1 ZINC000061652606 525783098 /nfs/dbraw/zinc/78/30/98/525783098.db2.gz HOYXKIRDBRCSNU-OIISXLGYSA-N 1 0 276.424 2.443 10 0 CEAERO C[C@@]1(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)CC[NH2+]C1 ZINC000062891327 525788533 /nfs/dbraw/zinc/78/85/33/525788533.db2.gz CRILVMVUJIQRFV-UMVBOHGHSA-N 1 0 250.386 2.025 10 0 CEAERO Cc1ccsc1[C@H]1[C@H](C[NH2+]C(C)C)OCCN1C ZINC000070287445 525898213 /nfs/dbraw/zinc/89/82/13/525898213.db2.gz IZHWBZYVXQAZSG-QWHCGFSZSA-N 1 0 268.426 2.426 10 0 CEAERO COc1cccc(CN2CCCC[C@@H]2C[NH2+]C2CC2)n1 ZINC000070093904 525934215 /nfs/dbraw/zinc/93/42/15/525934215.db2.gz YVAMNUURPPMCMA-OAHLLOKOSA-N 1 0 275.396 2.197 10 0 CEAERO C[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000051018581 525941362 /nfs/dbraw/zinc/94/13/62/525941362.db2.gz NFPRYPZDKIUROT-DDTOSNHZSA-N 1 0 296.798 2.493 10 0 CEAERO COc1cccc(CN2CCC[C@H]2C[NH2+]C(C)C)n1 ZINC000070093888 525942465 /nfs/dbraw/zinc/94/24/65/525942465.db2.gz HGECJTAUWSQJRF-AWEZNQCLSA-N 1 0 263.385 2.053 10 0 CEAERO Cc1ccc([C@H](C[NH3+])Sc2n[nH]c(=O)n2C(C)C)cc1 ZINC000061595116 525954540 /nfs/dbraw/zinc/95/45/40/525954540.db2.gz MFJPEBQZNWUHMF-LBPRGKRZSA-N 1 0 292.408 2.253 10 0 CEAERO Cc1ccc([C@H](Sc2n[nH]c(=O)n2C(C)C)[C@@H](C)[NH3+])o1 ZINC000061595169 525978408 /nfs/dbraw/zinc/97/84/08/525978408.db2.gz NOQITNUWZPHLSN-MWLCHTKSSA-N 1 0 296.396 2.234 10 0 CEAERO Cc1ccc(C(=O)CN2CC[NH+](CC(C)C)CC2)cc1 ZINC000055080118 526048303 /nfs/dbraw/zinc/04/83/03/526048303.db2.gz RCETWKWTTFKMHT-UHFFFAOYSA-N 1 0 274.408 2.451 10 0 CEAERO Cc1cnc(Cn2c(N)[nH+]c3cc(Cl)ccc32)cn1 ZINC000061322036 526065746 /nfs/dbraw/zinc/06/57/46/526065746.db2.gz JLTPDKKRQOROTP-UHFFFAOYSA-N 1 0 273.727 2.419 10 0 CEAERO Cc1cc(-n2cc(C(N)=O)cn2)ccc1C[NH2+]CC(C)C ZINC000070329223 526070816 /nfs/dbraw/zinc/07/08/16/526070816.db2.gz CZTXSQZMVWMQGG-UHFFFAOYSA-N 1 0 286.379 2.025 10 0 CEAERO Cc1cnc(NC(=O)[C@@H](C[NH3+])c2ccccc2)s1 ZINC000061610834 526084027 /nfs/dbraw/zinc/08/40/27/526084027.db2.gz SRWOPGOCLAQIAU-NSHDSACASA-N 1 0 261.350 2.133 10 0 CEAERO Cc1ccc2c(CN3CCC[C@H]3C[NH3+])cc(=O)oc2c1 ZINC000156167468 526128639 /nfs/dbraw/zinc/12/86/39/526128639.db2.gz DVYFQBBMBYZEOI-ZDUSSCGKSA-N 1 0 272.348 2.025 10 0 CEAERO C[C@H](c1cccs1)[N@H+](C)CCn1cc(N)cn1 ZINC000050614824 526152861 /nfs/dbraw/zinc/15/28/61/526152861.db2.gz NFVFMZOCTVKFOE-SNVBAGLBSA-N 1 0 250.371 2.220 10 0 CEAERO COc1cccc(OC)c1C(=O)N1[C@H](C)CCC[C@@H]1C[NH3+] ZINC000070152888 526215891 /nfs/dbraw/zinc/21/58/91/526215891.db2.gz LEBZAOSMLBNEAT-VXGBXAGGSA-N 1 0 292.379 2.046 10 0 CEAERO COc1cccc(OC)c1OCC[NH2+][C@@H](C)C1CC1 ZINC000053563037 526223492 /nfs/dbraw/zinc/22/34/92/526223492.db2.gz FEIALDFZDUEQEH-NSHDSACASA-N 1 0 265.353 2.471 10 0 CEAERO Cc1ccc2cccc(OCC[NH2+]CCN(C)C)c2n1 ZINC000053588080 526238775 /nfs/dbraw/zinc/23/87/75/526238775.db2.gz HRXFPTMPMBIGQB-UHFFFAOYSA-N 1 0 273.380 2.073 10 0 CEAERO Cc1ccc(C(N)=S)c(N2CCC[C@H]2C[NH+](C)C)c1 ZINC000061651909 526254578 /nfs/dbraw/zinc/25/45/78/526254578.db2.gz VWHCXUGWVXXIPU-LBPRGKRZSA-N 1 0 277.437 2.160 10 0 CEAERO C[C@H]1CCCC[C@@H]1[N@H+](C)CC1(CO)CCOCC1 ZINC000052199766 526255833 /nfs/dbraw/zinc/25/58/33/526255833.db2.gz REYMBVLAVYYHJB-KBPBESRZSA-N 1 0 255.402 2.286 10 0 CEAERO Cc1nn(CCCCCO)c(C)c1C[NH2+]C(C)C ZINC000051021701 526279618 /nfs/dbraw/zinc/27/96/18/526279618.db2.gz QAYHBFDXERIMQF-UHFFFAOYSA-N 1 0 253.390 2.161 10 0 CEAERO Cc1nn(CCc2ccccn2)c(C)c1C[C@H](C)[NH3+] ZINC000062803266 526283010 /nfs/dbraw/zinc/28/30/10/526283010.db2.gz WXTBNYVZWGHLFP-NSHDSACASA-N 1 0 258.369 2.027 10 0 CEAERO Cc1nn(C[C@H](O)C[NH+](CC(C)C)CC(C)C)c(C)c1N ZINC000069368238 526286251 /nfs/dbraw/zinc/28/62/51/526286251.db2.gz IJLSUFYRMPYQEG-OAHLLOKOSA-N 1 0 296.459 2.057 10 0 CEAERO Cc1nn(C[C@H]2CCOC2)c(C)c1C[NH2+]C(C)C ZINC000054717432 526286373 /nfs/dbraw/zinc/28/63/73/526286373.db2.gz RIGUOTHEKCKFTQ-CYBMUJFWSA-N 1 0 251.374 2.034 10 0 CEAERO Cc1nn([C@H](C[NH3+])c2ccccn2)c(C)c1Cl ZINC000050585986 526306298 /nfs/dbraw/zinc/30/62/98/526306298.db2.gz FYAARRKMEODVEH-LLVKDONJSA-N 1 0 250.733 2.096 10 0 CEAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1cncc(Br)c1 ZINC000160584960 526308158 /nfs/dbraw/zinc/30/81/58/526308158.db2.gz INEDANAIOJFMHM-JQWIXIFHSA-N 1 0 285.185 2.095 10 0 CEAERO Cc1csc(Cc2nc3c(s2)C[NH2+]CC3)n1 ZINC000055269902 526369642 /nfs/dbraw/zinc/36/96/42/526369642.db2.gz INCKCQGBHMBPJM-UHFFFAOYSA-N 1 0 251.380 2.145 10 0 CEAERO c1cc(-c2nc(C[C@H]3CCC[NH2+]C3)no2)cc2c1OCC2 ZINC000063084407 526414014 /nfs/dbraw/zinc/41/40/14/526414014.db2.gz COLGUMNAKONUIR-LLVKDONJSA-N 1 0 285.347 2.214 10 0 CEAERO c1ccc(C[C@@H]2C[NH2+]CCN2C[C@@H]2CCCCO2)cc1 ZINC000068696703 526476497 /nfs/dbraw/zinc/47/64/97/526476497.db2.gz PCEISMVXWOQJOM-SJORKVTESA-N 1 0 274.408 2.072 10 0 CEAERO O=C(CC[C@@H]1CCCC[NH2+]1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000050947460 526547581 /nfs/dbraw/zinc/54/75/81/526547581.db2.gz SGXSMJHMZYXTBN-KBPBESRZSA-N 1 0 290.411 2.038 10 0 CEAERO O=C(CC[C@H]1CCCC[NH2+]1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000050947466 526564816 /nfs/dbraw/zinc/56/48/16/526564816.db2.gz SGXSMJHMZYXTBN-UONOGXRCSA-N 1 0 290.411 2.038 10 0 CEAERO c1nc2c(c(N3CCCC[C@@H]3C[NH2+]C3CC3)n1)CCC2 ZINC000061278290 526605517 /nfs/dbraw/zinc/60/55/17/526605517.db2.gz YRZLNQFKBYBNDL-CYBMUJFWSA-N 1 0 272.396 2.076 10 0 CEAERO C[NH2+]Cc1c(Cl)cccc1N1CCOC[C@@H]1C ZINC000035777846 536469079 /nfs/dbraw/zinc/46/90/79/536469079.db2.gz ZVLINSDVPYUPMF-JTQLQIEISA-N 1 0 254.761 2.285 10 0 CEAERO Cc1nc(C)c([C@@H](C)NC(=O)[C@@H]2CC23CC[NH2+]CC3)s1 ZINC000070255078 526742963 /nfs/dbraw/zinc/74/29/63/526742963.db2.gz GBCHPACUFSSOQM-PWSUYJOCSA-N 1 0 293.436 2.327 10 0 CEAERO Cc1nc(C)c([C@H](C)[NH2+]CCc2ccsc2)c(=O)[nH]1 ZINC000049153676 526753744 /nfs/dbraw/zinc/75/37/44/526753744.db2.gz MYZVOSLNVMCJGI-VIFPVBQESA-N 1 0 277.393 2.342 10 0 CEAERO Cc1nc(C)n(Cc2cc(C[NH2+]C(C)(C)C)co2)n1 ZINC000052574438 526763856 /nfs/dbraw/zinc/76/38/56/526763856.db2.gz OHSBBHGRQUQTMY-UHFFFAOYSA-N 1 0 262.357 2.424 10 0 CEAERO NC(=[NH2+])c1cc(-n2cc(Cl)cn2)nc2ccccc21 ZINC000068798097 526819806 /nfs/dbraw/zinc/81/98/06/526819806.db2.gz OYBCGJGTQDHKOS-UHFFFAOYSA-N 1 0 271.711 2.358 10 0 CEAERO NC(=[NH2+])c1ccc(Cl)cc1OC[C@H]1CCCO1 ZINC000062789088 526822794 /nfs/dbraw/zinc/82/27/94/526822794.db2.gz HVVIRCUADOMPBY-SECBINFHSA-N 1 0 254.717 2.182 10 0 CEAERO NC(=[NH2+])c1ncccc1COc1cccc2cccnc21 ZINC000061658695 526825704 /nfs/dbraw/zinc/82/57/04/526825704.db2.gz AAPPINBNDWSHPY-UHFFFAOYSA-N 1 0 278.315 2.493 10 0 CEAERO O=C(c1cccs1)N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051358374 526836259 /nfs/dbraw/zinc/83/62/59/526836259.db2.gz YETQKSQOXIDIPA-WDEREUQCSA-N 1 0 250.367 2.105 10 0 CEAERO Cc1nc(CNC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c[nH]1 ZINC000054822437 526887071 /nfs/dbraw/zinc/88/70/71/526887071.db2.gz AAMVFKHRCWEBCH-IUODEOHRSA-N 1 0 264.417 2.318 10 0 CEAERO Cc1nc(Cc2nc(C(C)(C)C)cc(NN)[nH+]2)cs1 ZINC000055296727 526929327 /nfs/dbraw/zinc/92/93/27/526929327.db2.gz SWSQRAVWTWHFLT-UHFFFAOYSA-N 1 0 277.397 2.415 10 0 CEAERO Cc1nc(N(C)C[C@@H]2CCCO2)sc1[C@@H](C)[NH3+] ZINC000054897360 526950282 /nfs/dbraw/zinc/95/02/82/526950282.db2.gz GDNSNZQRVNNVFI-SCZZXKLOSA-N 1 0 255.387 2.086 10 0 CEAERO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1(c2ccccc2)CC1 ZINC000061617618 526951914 /nfs/dbraw/zinc/95/19/14/526951914.db2.gz JLHICVYQOHNVNO-SQWLQELKSA-N 1 0 284.403 2.223 10 0 CEAERO Cc1nc(N2CCN(C3CC3)CC2)sc1C[NH2+]C(C)C ZINC000055002241 526969066 /nfs/dbraw/zinc/96/90/66/526969066.db2.gz DYJVUKDJZKUGGA-UHFFFAOYSA-N 1 0 294.468 2.234 10 0 CEAERO Cc1nc(N2CCOCC2)sc1C[NH2+]CC(C)C ZINC000054995184 526970977 /nfs/dbraw/zinc/97/09/77/526970977.db2.gz BDOJUQDBHYMKIU-UHFFFAOYSA-N 1 0 269.414 2.034 10 0 CEAERO NC(=O)[C@H]([NH2+]C1CCCC1)c1cc(F)c(F)c(F)c1 ZINC000062712652 526995674 /nfs/dbraw/zinc/99/56/74/526995674.db2.gz XIGFOYCTAGPGQQ-GFCCVEGCSA-N 1 0 272.270 2.163 10 0 CEAERO NC(=O)[C@](CSC1CCCCC1)([NH2+]C1CC1)C1CC1 ZINC000069188462 527016450 /nfs/dbraw/zinc/01/64/50/527016450.db2.gz UZLUKCIMFASDOC-OAHLLOKOSA-N 1 0 282.453 2.438 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)N1CCC[C@H]1c1ccc[nH]1 ZINC000054308117 527119266 /nfs/dbraw/zinc/11/92/66/527119266.db2.gz MGIRIYNZOXZCFC-JSGCOSHPSA-N 1 0 261.369 2.068 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1ccc(N2CCCC2)nc1 ZINC000054306811 527120295 /nfs/dbraw/zinc/12/02/95/527120295.db2.gz CEXXBUXOGXUTOQ-ZDUSSCGKSA-N 1 0 288.395 2.010 10 0 CEAERO O=C1c2cc(Cl)ccc2N(CCC[NH2+]C2CC2)C1=O ZINC000048784632 527121140 /nfs/dbraw/zinc/12/11/40/527121140.db2.gz VRAJCXJGKLFEGE-UHFFFAOYSA-N 1 0 278.739 2.011 10 0 CEAERO [NH3+]C1CCC(CCC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000055134202 527139670 /nfs/dbraw/zinc/13/96/70/527139670.db2.gz JXSAUAXRVQICOZ-SSHXOBKSSA-N 1 0 294.439 2.454 10 0 CEAERO [NH3+]C1CCC(Oc2ccc3c(c2)CCC(=O)N3)CC1 ZINC000055144054 527141600 /nfs/dbraw/zinc/14/16/00/527141600.db2.gz BRQTWKFPMFGIOS-UHFFFAOYSA-N 1 0 260.337 2.220 10 0 CEAERO [NH3+]CC1([C@H]2CS(=O)(=O)c3ccccc32)CCCCC1 ZINC000054635451 527164406 /nfs/dbraw/zinc/16/44/06/527164406.db2.gz MYSXFORGDFVKGY-ZDUSSCGKSA-N 1 0 279.405 2.467 10 0 CEAERO Cc1nc2ccccc2n1Cc1cccnc1C(N)=[NH2+] ZINC000061658443 527171685 /nfs/dbraw/zinc/17/16/85/527171685.db2.gz UXCVOOHDUYKCLW-UHFFFAOYSA-N 1 0 265.320 2.072 10 0 CEAERO [NH3+]CCC[C@H]1CCCN1C(=O)CC[C@H]1CCCCO1 ZINC000069405734 527183488 /nfs/dbraw/zinc/18/34/88/527183488.db2.gz SRZGIKSEHDXVEH-UONOGXRCSA-N 1 0 268.401 2.066 10 0 CEAERO [NH3+]CC[C@H]1CN(C(=O)c2cscn2)c2ccccc21 ZINC000063127542 527195474 /nfs/dbraw/zinc/19/54/74/527195474.db2.gz LOQRYVBPFWHVJY-JTQLQIEISA-N 1 0 273.361 2.236 10 0 CEAERO [NH3+]CCc1ccc(Oc2ncnc3c2CCC3)cc1 ZINC000061278025 527196951 /nfs/dbraw/zinc/19/69/51/527196951.db2.gz CBAKBJIMVWZWKL-UHFFFAOYSA-N 1 0 255.321 2.259 10 0 CEAERO [NH3+]C[C@@H](C(=O)Nc1ccc2c[nH]nc2c1)c1ccccc1 ZINC000061611783 527202461 /nfs/dbraw/zinc/20/24/61/527202461.db2.gz JNPGNMIZLAVNOF-CQSZACIVSA-N 1 0 280.331 2.244 10 0 CEAERO Cc1nc2sccn2c1C[NH2+][C@@H](CN(C)C)C(C)C ZINC000049198226 527211462 /nfs/dbraw/zinc/21/14/62/527211462.db2.gz RSRKNGHPXDKOJJ-LBPRGKRZSA-N 1 0 280.441 2.380 10 0 CEAERO [NH3+]C[C@@]1(N2CCN(c3ccccc3)CC2)CCCSC1 ZINC000061589920 527222041 /nfs/dbraw/zinc/22/20/41/527222041.db2.gz JXPPDEOTUFKEFD-INIZCTEOSA-N 1 0 291.464 2.033 10 0 CEAERO Cn1cc(C[NH2+][C@H]2CCCC[C@@H]2C(F)(F)F)nn1 ZINC000054860058 527222228 /nfs/dbraw/zinc/22/22/28/527222228.db2.gz JPXVSNIZHRLPJR-UWVGGRQHSA-N 1 0 262.279 2.026 10 0 CEAERO [NH3+]C[C@@]1(Cc2ccc(F)c(Br)c2)CCOC1 ZINC000054637610 527222743 /nfs/dbraw/zinc/22/27/43/527222743.db2.gz TVJPLZXSVKSPGM-LBPRGKRZSA-N 1 0 288.160 2.496 10 0 CEAERO [NH3+]C[C@H](Oc1cc(F)cc(F)c1)c1ccccn1 ZINC000054932248 527228593 /nfs/dbraw/zinc/22/85/93/527228593.db2.gz PNTVOHYECTVYBO-ZDUSSCGKSA-N 1 0 250.248 2.439 10 0 CEAERO [NH3+]C[C@H](Sc1ncnc2[nH]cnc21)c1cccc(F)c1 ZINC000051036079 527228954 /nfs/dbraw/zinc/22/89/54/527228954.db2.gz LZIPGDKSIHYAAG-JTQLQIEISA-N 1 0 289.339 2.284 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H](C(=O)NCC2CCCCC2)C1 ZINC000055147100 527234979 /nfs/dbraw/zinc/23/49/79/527234979.db2.gz RXSSOYWUASSLDI-UONOGXRCSA-N 1 0 252.402 2.448 10 0 CEAERO [NH3+]Cc1cc(N2CCC[C@@H]2c2ccncc2)ccn1 ZINC000061811584 527248483 /nfs/dbraw/zinc/24/84/83/527248483.db2.gz SWVGBJLRQZCKPW-OAHLLOKOSA-N 1 0 254.337 2.277 10 0 CEAERO [NH3+]Cc1cccc(Br)c1OCc1ncccn1 ZINC000054458511 527259078 /nfs/dbraw/zinc/25/90/78/527259078.db2.gz JSTLHVIXGKPPPG-UHFFFAOYSA-N 1 0 294.152 2.277 10 0 CEAERO [NH3+]Cc1nccn1Cc1cc(Br)ccc1F ZINC000051004167 527267000 /nfs/dbraw/zinc/26/70/00/527267000.db2.gz FWJULMLXNVZSFJ-UHFFFAOYSA-N 1 0 284.132 2.292 10 0 CEAERO [NH3+]Cc1nccn1Cc1ccc(F)cc1Br ZINC000051004193 527267765 /nfs/dbraw/zinc/26/77/65/527267765.db2.gz OKXYHIJIWMSXIJ-UHFFFAOYSA-N 1 0 284.132 2.292 10 0 CEAERO NNc1cc(C(=O)N2CCC[C@H]2C2CCCC2)cc[nH+]1 ZINC000051113230 527272106 /nfs/dbraw/zinc/27/21/06/527272106.db2.gz XOMMSHQDBJSNMM-ZDUSSCGKSA-N 1 0 274.368 2.162 10 0 CEAERO O=S1(=O)CC[C@@H]([NH2+]C2CCC2)c2ccccc21 ZINC000052208168 527309595 /nfs/dbraw/zinc/30/95/95/527309595.db2.gz DDYPBGSEIBZXEI-GFCCVEGCSA-N 1 0 251.351 2.047 10 0 CEAERO [NH3+][C@@H](C[C@H]1CCCO1)c1ccc2c(c1)OCCCO2 ZINC000055205975 527334618 /nfs/dbraw/zinc/33/46/18/527334618.db2.gz AICYIAPVZDQVBU-OLZOCXBDSA-N 1 0 263.337 2.417 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@@H]1NC(=O)COc1ccc(Cl)cc1 ZINC000063210920 527341545 /nfs/dbraw/zinc/34/15/45/527341545.db2.gz HEFKZGDHCWZMBM-KGLIPLIRSA-N 1 0 296.798 2.495 10 0 CEAERO [NH3+][C@@H]1COc2cc(OCC(=O)Nc3ccccc3)ccc21 ZINC000062803954 527376442 /nfs/dbraw/zinc/37/64/42/527376442.db2.gz GYENLTXCTFKVMS-CQSZACIVSA-N 1 0 284.315 2.096 10 0 CEAERO [NH3+][C@@H]1Cc2ccccc2N(Cc2ccc3c(c2)OCO3)C1 ZINC000070196590 527378317 /nfs/dbraw/zinc/37/83/17/527378317.db2.gz LOPOXFZXTBNIGC-CQSZACIVSA-N 1 0 282.343 2.305 10 0 CEAERO Cn1cccc1C(=O)N1C[C@H](CC[NH3+])c2ccccc21 ZINC000063127829 527387250 /nfs/dbraw/zinc/38/72/50/527387250.db2.gz NSZDTOFIEWRYPT-LBPRGKRZSA-N 1 0 269.348 2.118 10 0 CEAERO [NH3+][C@H]1CCN(C2CC2)[C@@H]1c1cnn(-c2ccccc2)c1 ZINC000070299585 527411501 /nfs/dbraw/zinc/41/15/01/527411501.db2.gz MAYLWODCTDCBNP-JKSUJKDBSA-N 1 0 268.364 2.109 10 0 CEAERO Cc1nccn1CC[N@H+]1C[C@@H](C)NC[C@@H]1C1CCCCC1 ZINC000068699269 527427853 /nfs/dbraw/zinc/42/78/53/527427853.db2.gz GMXBUROLKMBLBU-RHSMWYFYSA-N 1 0 290.455 2.434 10 0 CEAERO O=C(N1CCC[C@H]1[C@H]1CCC[NH2+]1)C1(c2ccccc2)CC1 ZINC000061618378 527440194 /nfs/dbraw/zinc/44/01/94/527440194.db2.gz VZRQEEIVZAJCIV-CVEARBPZSA-N 1 0 284.403 2.461 10 0 CEAERO Nc1ccc(CN2CC[NH+](C3CCCC3)CC2)c(F)c1 ZINC000069400428 527481910 /nfs/dbraw/zinc/48/19/10/527481910.db2.gz ZPSAUBDICILEGI-UHFFFAOYSA-N 1 0 277.387 2.468 10 0 CEAERO Cc1ncsc1CC[N@@H+]1CCC[C@@H]1CCCO ZINC000052762436 527486444 /nfs/dbraw/zinc/48/64/44/527486444.db2.gz QOLQPHWEEDBZAT-GFCCVEGCSA-N 1 0 254.399 2.231 10 0 CEAERO OC1(c2cncc3ccccc32)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000069266288 527513260 /nfs/dbraw/zinc/51/32/60/527513260.db2.gz HZUVEAOMGJOHAK-OCZCAGDBSA-N 1 0 254.333 2.337 10 0 CEAERO OCCCCC[NH2+]Cc1ccccc1-n1cccn1 ZINC000051021022 527536395 /nfs/dbraw/zinc/53/63/95/527536395.db2.gz GWOMXNIKAMOKOQ-UHFFFAOYSA-N 1 0 259.353 2.125 10 0 CEAERO OCCn1cc(C[NH2+][C@H]2CCSc3ccccc32)cn1 ZINC000068691134 527576580 /nfs/dbraw/zinc/57/65/80/527576580.db2.gz UXESABGXDKPKMR-AWEZNQCLSA-N 1 0 289.404 2.202 10 0 CEAERO O=C(/C=C/c1cccs1)N[C@@H]1CCCC[NH2+]C1 ZINC000070119883 527641121 /nfs/dbraw/zinc/64/11/21/527641121.db2.gz YWONDSVNMXPNTE-XUIVZRPNSA-N 1 0 250.367 2.020 10 0 CEAERO FC(F)(F)CO[C@@H]1CCC[C@@H]([NH2+]Cc2cnccn2)C1 ZINC000054766387 527672183 /nfs/dbraw/zinc/67/21/83/527672183.db2.gz SKERBUGKCTUALI-ZYHUDNBSSA-N 1 0 289.301 2.456 10 0 CEAERO FC(F)(F)c1ccc(NCCN2CC[NH2+]CC2)cc1 ZINC000054186986 527683494 /nfs/dbraw/zinc/68/34/94/527683494.db2.gz YNXSFLABCINCBV-UHFFFAOYSA-N 1 0 273.302 2.023 10 0 CEAERO CC(C)[C@H](C)CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000176628715 528948299 /nfs/dbraw/zinc/94/82/99/528948299.db2.gz VXOFGLWNTGRBEA-MCIONIFRSA-N 1 0 269.433 2.306 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2C(C)=O)C1 ZINC000174646291 529056903 /nfs/dbraw/zinc/05/69/03/529056903.db2.gz XTLZFBCNCPNOTN-CYBMUJFWSA-N 1 0 274.364 2.103 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1noc(C(C)(C)C)n1 ZINC000175353192 529069172 /nfs/dbraw/zinc/06/91/72/529069172.db2.gz DKZNDYGSFGWQFL-GFCCVEGCSA-N 1 0 280.416 2.283 10 0 CEAERO CCSCc1ccnc(NC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000236866691 529201813 /nfs/dbraw/zinc/20/18/13/529201813.db2.gz RGHJJSUZEUTPCO-LLVKDONJSA-N 1 0 265.382 2.025 10 0 CEAERO CCC[NH2+][C@H](C)[C@@H]1CCCN(c2ccc(C)nn2)C1 ZINC000111716154 535191892 /nfs/dbraw/zinc/19/18/92/535191892.db2.gz MNHABTRSSXHODW-ZIAGYGMSSA-N 1 0 262.401 2.390 10 0 CEAERO CC[NH2+][C@H](C)[C@H]1CCCCN1c1nnc(CC)c(CC)n1 ZINC000097836367 535516082 /nfs/dbraw/zinc/51/60/82/535516082.db2.gz FTNWLRKEXSAOAC-IUODEOHRSA-N 1 0 291.443 2.353 10 0 CEAERO CCOc1ccc(N2CCC[C@H]([NH2+]C3CC3)C2)cn1 ZINC000094995484 535735627 /nfs/dbraw/zinc/73/56/27/535735627.db2.gz PMPWEZIVOISFTG-ZDUSSCGKSA-N 1 0 261.369 2.201 10 0 CEAERO CC[C@](C[NH3+])(C1CC1)N1CCN(C)c2ccccc21 ZINC000086120825 535866757 /nfs/dbraw/zinc/86/67/57/535866757.db2.gz ANAVAQIKUPKAIV-INIZCTEOSA-N 1 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ZINC000685965573 574823574 /nfs/dbraw/zinc/82/35/74/574823574.db2.gz JWYXLPAMSBTHSV-PWSUYJOCSA-N 1 0 269.186 2.162 10 0 CEAERO CC(C)(C)OC(=O)[C@@H](CCCC[NH3+])[C@@H]1CCOC1 ZINC000725272074 567925173 /nfs/dbraw/zinc/92/51/73/567925173.db2.gz YRBYZMPEBOTIIR-NEPJUHHUSA-N 1 0 257.374 2.110 10 0 CEAERO C[C@@H]1CN(Cc2ccc(Br)cc2F)C[C@@H]1[NH3+] ZINC000235350317 625331442 /nfs/dbraw/zinc/33/14/42/625331442.db2.gz GJFXYLWXXBTLBC-PELKAZGASA-N 1 0 287.176 2.367 10 0 CEAERO COC1CC([NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)C1 ZINC000309879458 625339490 /nfs/dbraw/zinc/33/94/90/625339490.db2.gz YRAQIRYIFBZEJX-UNXYVOJBSA-N 1 0 272.389 2.009 10 0 CEAERO [NH3+]C[C@H]1CC(=O)Nc2c(Cl)cc(Br)cc21 ZINC000757176074 622952495 /nfs/dbraw/zinc/95/24/95/622952495.db2.gz XHHIRXMSQWQHGD-RXMQYKEDSA-N 1 0 289.560 2.487 10 0 CEAERO CCOC(=O)c1ccc(C[NH3+])c(Br)c1 ZINC000150290934 623217135 /nfs/dbraw/zinc/21/71/35/623217135.db2.gz KDGPKVWZOACESE-UHFFFAOYSA-N 1 0 258.115 2.085 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1Cc1ccc(OC(F)F)cc1 ZINC000261584636 623396411 /nfs/dbraw/zinc/39/64/11/623396411.db2.gz SLOOOBWIWGFIHQ-BXKDBHETSA-N 1 0 256.296 2.210 10 0 CEAERO [NH3+][C@H]1CCCN(C(=O)/C=C\c2ccccc2Cl)C1 ZINC000254951581 623574360 /nfs/dbraw/zinc/57/43/60/623574360.db2.gz WVBFMOHDSAMGIZ-KRZKBDHCSA-N 1 0 264.756 2.303 10 0 CEAERO C[C@H](O)[C@H](C)[NH2+]Cc1cscc1Br ZINC000308260694 623637478 /nfs/dbraw/zinc/63/74/78/623637478.db2.gz NENDLTFXGGDBSK-BQBZGAKWSA-N 1 0 264.188 2.370 10 0 CEAERO CN(C(=O)c1cc2c(s1)CCC2)[C@@H](C[NH3+])C(F)(F)F ZINC000829347053 624869378 /nfs/dbraw/zinc/86/93/78/624869378.db2.gz GHXBCZWKVMXYMD-JTQLQIEISA-N 1 0 292.326 2.198 10 0 CEAERO CCc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)s1 ZINC000392992449 625951128 /nfs/dbraw/zinc/95/11/28/625951128.db2.gz DSBVMYGTEMEMQP-JOYOIKCWSA-N 1 0 252.383 2.067 10 0 CEAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(F)c(C)c1 ZINC000166588202 627641979 /nfs/dbraw/zinc/64/19/79/627641979.db2.gz KTVJYXOGAMHXHZ-RYUDHWBXSA-N 1 0 251.301 2.000 10 0 CEAERO C[C@H](Cc1ccccc1)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000183386280 628182748 /nfs/dbraw/zinc/18/27/48/628182748.db2.gz UNPBDXWIKQYPNY-CQSZACIVSA-N 1 0 274.408 2.371 10 0 CEAERO C[C@@H](C[NH3+])c1noc(-c2occc2Br)n1 ZINC000309779985 628205376 /nfs/dbraw/zinc/20/53/76/628205376.db2.gz MRWUNZBYWKOUMB-YFKPBYRVSA-N 1 0 272.102 2.154 10 0 CEAERO COC1CC([NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C)C1 ZINC000309879459 628224626 /nfs/dbraw/zinc/22/46/26/628224626.db2.gz YRAQIRYIFBZEJX-VOMCLLRMSA-N 1 0 272.389 2.009 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2cc(N)ccc2[N+](=O)[O-])C1 ZINC000193392236 628475796 /nfs/dbraw/zinc/47/57/96/628475796.db2.gz QQVXFBNBCDAFBT-LLVKDONJSA-N 1 0 264.329 2.073 10 0 CEAERO COCC1(c2noc([C@@H]3CCC[C@@H]3C[NH3+])n2)CCCC1 ZINC000312924974 628564632 /nfs/dbraw/zinc/56/46/32/628564632.db2.gz NKVGDKBKIGNASF-VXGBXAGGSA-N 1 0 279.384 2.370 10 0 CEAERO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CC1CCOCC1 ZINC000094434690 628714669 /nfs/dbraw/zinc/71/46/69/628714669.db2.gz XYKLUNNXSMSORD-JKSUJKDBSA-N 1 0 266.429 2.362 10 0 CEAERO CCC[C@H]([NH3+])C(=O)NCc1ccc(SC)cc1 ZINC000236881771 628724462 /nfs/dbraw/zinc/72/44/62/628724462.db2.gz CKHGNFCZYQRXJV-LBPRGKRZSA-N 1 0 252.383 2.152 10 0 CEAERO CCCCS[C@H](C)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000236784255 628744357 /nfs/dbraw/zinc/74/43/57/628744357.db2.gz YVQQNHKFNVPBKT-UTUOFQBUSA-N 1 0 258.431 2.152 10 0 CEAERO CC1(C)CCC(C[NH2+]C2CCN(CCO)CC2)CC1 ZINC000399005481 628768857 /nfs/dbraw/zinc/76/88/57/628768857.db2.gz XNLHHOCPWUEVSU-UHFFFAOYSA-N 1 0 268.445 2.249 10 0 CEAERO C[C@H](CCC(C)(C)C)[NH2+]C1CCN(CCO)CC1 ZINC000399192882 628782653 /nfs/dbraw/zinc/78/26/53/628782653.db2.gz QQRMIHRXUMYTJG-CYBMUJFWSA-N 1 0 256.434 2.248 10 0 CEAERO [NH3+]CCn1cc(-c2ccc(OC(F)(F)F)cc2)cn1 ZINC000311985407 628791458 /nfs/dbraw/zinc/79/14/58/628791458.db2.gz NMWKWTDXWXMEJF-UHFFFAOYSA-N 1 0 271.242 2.407 10 0 CEAERO COc1cc(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)cc(OC)c1 ZINC000094646836 628869360 /nfs/dbraw/zinc/86/93/60/628869360.db2.gz IXIRAYITYUHVKL-IINYFYTJSA-N 1 0 278.352 2.030 10 0 CEAERO OCCCCCC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000224020164 628872255 /nfs/dbraw/zinc/87/22/55/628872255.db2.gz ISJYHJGHGAOPPX-CABCVRRESA-N 1 0 255.402 2.166 10 0 CEAERO COC(=O)[C@H]1C[N@H+](Cc2ccccc2F)C[C@H]1C ZINC000094996840 628888533 /nfs/dbraw/zinc/88/85/33/628888533.db2.gz WPUFYUHVKRNOQJ-PWSUYJOCSA-N 1 0 251.301 2.067 10 0 CEAERO Cc1cc(NC(=O)[C@H]([NH3+])CC(C)C)cnc1Cl ZINC000226354086 628903350 /nfs/dbraw/zinc/90/33/50/628903350.db2.gz ZMOXSNPWUIKGQM-SNVBAGLBSA-N 1 0 255.749 2.355 10 0 CEAERO COc1ccc(CN2CC[C@H]([NH3+])[C@H]2C)cc1Br ZINC000261547629 628937211 /nfs/dbraw/zinc/93/72/11/628937211.db2.gz IHKGHTSCDOSBCH-SKDRFNHKSA-N 1 0 299.212 2.379 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(Cl)c(F)c1 ZINC000261554850 628937750 /nfs/dbraw/zinc/93/77/50/628937750.db2.gz PEPKSSGWOJHSBT-HQJQHLMTSA-N 1 0 256.708 2.041 10 0 CEAERO COc1ccc(Br)c(CN2CC[C@@H]([NH3+])[C@@H]2C)c1 ZINC000261564242 628939208 /nfs/dbraw/zinc/93/92/08/628939208.db2.gz XPJOKBWAVOXONA-TVQRCGJNSA-N 1 0 299.212 2.379 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1cc2ccccc2s1 ZINC000261566071 628939591 /nfs/dbraw/zinc/93/95/91/628939591.db2.gz ICFWBWWLBUUACQ-KOLCDFICSA-N 1 0 260.362 2.463 10 0 CEAERO O=C(CC[C@H]1CCC[NH2+]1)Nc1ccccc1-n1ccnc1 ZINC000261621096 628949801 /nfs/dbraw/zinc/94/98/01/628949801.db2.gz GLFRQULVQRZFQD-CYBMUJFWSA-N 1 0 284.363 2.343 10 0 CEAERO CCOc1c(F)cccc1C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000237024027 629153187 /nfs/dbraw/zinc/15/31/87/629153187.db2.gz IFSBSBGQGIVENK-GXFFZTMASA-N 1 0 280.343 2.082 10 0 CEAERO COC[C@@]1(C(=O)N[C@@H](C)c2ccc(C)cc2C)CC[NH2+]C1 ZINC000261726307 629159100 /nfs/dbraw/zinc/15/91/00/629159100.db2.gz QQCMRRLZNNKVSB-WMLDXEAASA-N 1 0 290.407 2.107 10 0 CEAERO Cc1ccc2c(c1Br)NC(=O)C[C@@H]2C[NH3+] ZINC000757175357 631828974 /nfs/dbraw/zinc/82/89/74/631828974.db2.gz FEOHWJKHWKVNFE-SSDOTTSWSA-N 1 0 269.142 2.142 10 0 CEAERO CCCC[N@H+](CC)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000249048566 632301541 /nfs/dbraw/zinc/30/15/41/632301541.db2.gz IFNBNGLQGPWZHC-CHWSQXEVSA-N 1 0 264.369 2.017 10 0 CEAERO CCc1nc[nH]c1C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000905420960 636268312 /nfs/dbraw/zinc/26/83/12/636268312.db2.gz ZSQZEHVQMMIQJR-CQSZACIVSA-N 1 0 286.379 2.005 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@H]1c1nc(-c2cscn2)no1 ZINC000150259846 638075510 /nfs/dbraw/zinc/07/55/10/638075510.db2.gz UYWYLMGWEOOFQO-RKDXNWHRSA-N 1 0 264.354 2.426 10 0 CEAERO COc1cc(-c2noc([C@@H]3CC[C@@H]([NH3+])C3)n2)ccc1F ZINC000225481721 639498925 /nfs/dbraw/zinc/49/89/25/639498925.db2.gz KJUUOWKLZYCJIT-NXEZZACHSA-N 1 0 277.299 2.479 10 0 CEAERO Brc1ccsc1CNC[C@H]1CC[NH2+]C1 ZINC000087575916 639680328 /nfs/dbraw/zinc/68/03/28/639680328.db2.gz JZLRSBSVQMSFKV-QMMMGPOBSA-N 1 0 275.215 2.210 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]2CN(c3ncnc4sccc43)C[C@@H]21 ZINC000230135226 639741238 /nfs/dbraw/zinc/74/12/38/639741238.db2.gz KKKGTMCMYVSODP-ZMLRMANQSA-N 1 0 274.393 2.255 10 0 CEAERO COC1CC([NH2+][C@@H](C)c2cnc3cc(C)nn3c2C)C1 ZINC000230675250 639777914 /nfs/dbraw/zinc/77/79/14/639777914.db2.gz CRQTUDWMTNKIFR-PKSQDBQZSA-N 1 0 274.368 2.174 10 0 CEAERO Cn1c(C(=O)N2CC[C@H]([NH+](C)C)C2)ccc1-c1ccccc1 ZINC000173500620 639861353 /nfs/dbraw/zinc/86/13/53/639861353.db2.gz FSHBTENCVOTNAO-HNNXBMFYSA-N 1 0 297.402 2.468 10 0 CEAERO CCOC(C[NH2+][C@H](C)c1cncc(F)c1)OCC ZINC000231785604 639877053 /nfs/dbraw/zinc/87/70/53/639877053.db2.gz OKBPWIOSAYXZED-SNVBAGLBSA-N 1 0 256.321 2.270 10 0 CEAERO Oc1ccc(-c2noc(C[C@H]3CCC[NH2+]C3)n2)cc1F ZINC000232349423 639915065 /nfs/dbraw/zinc/91/50/65/639915065.db2.gz ZEHQHFSYCODELK-SECBINFHSA-N 1 0 277.299 2.123 10 0 CEAERO CC(C)(O)c1ccc(C[NH2+][C@H]2CCC[C@@H](O)C2)cc1 ZINC000311370495 639963956 /nfs/dbraw/zinc/96/39/56/639963956.db2.gz UBRJALKJOWJCTD-LSDHHAIUSA-N 1 0 263.381 2.307 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@H]1c1nc(C2CCOCC2)no1 ZINC000089383716 640359422 /nfs/dbraw/zinc/35/94/22/640359422.db2.gz NDKZTTRSMPFAMG-VXGBXAGGSA-N 1 0 265.357 2.196 10 0 CEAERO CN(Cc1cccs1)C(=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089387951 640362884 /nfs/dbraw/zinc/36/28/84/640362884.db2.gz IPEDZAWLSUDZBK-DGCLKSJQSA-N 1 0 266.410 2.472 10 0 CEAERO CC[C@@H]1C[N@H+](CCc2cccs2)CCN1CCOC ZINC000105837334 640938091 /nfs/dbraw/zinc/93/80/91/640938091.db2.gz NDKZWYWARYTGBT-CQSZACIVSA-N 1 0 282.453 2.333 10 0 CEAERO CNC(=O)[C@H]([NH2+][C@H](C)CSC(C)(C)C)C(C)C ZINC000180685198 641475923 /nfs/dbraw/zinc/47/59/23/641475923.db2.gz WMYIFBPPSPFYDZ-GHMZBOCLSA-N 1 0 260.447 2.267 10 0 CEAERO Cc1ccc([C@H](C)[NH2+]CC(=O)N2CCO[C@H](C)C2)cc1F ZINC000181366388 641543723 /nfs/dbraw/zinc/54/37/23/641543723.db2.gz CGZFNUJLSHQIGD-OLZOCXBDSA-N 1 0 294.370 2.032 10 0 CEAERO C[C@@H]1CN(c2cccc(Br)n2)C[C@H]1[NH+](C)C ZINC000251837370 641572024 /nfs/dbraw/zinc/57/20/24/641572024.db2.gz QCKIPSDTSHFYEH-NXEZZACHSA-N 1 0 284.201 2.230 10 0 CEAERO CCc1cnccc1-c1noc(C[C@@H]([NH3+])C(C)C)n1 ZINC000122274179 648236166 /nfs/dbraw/zinc/23/61/66/648236166.db2.gz QXHWDUIPZDUQSX-GFCCVEGCSA-N 1 0 260.341 2.220 10 0 CEAERO COc1ccc(C)cc1[C@H](C)NC(=O)C[C@H]([NH3+])C1CC1 ZINC000123670874 649097724 /nfs/dbraw/zinc/09/77/24/649097724.db2.gz MBZVDDSXVAHGKK-FZMZJTMJSA-N 1 0 276.380 2.308 10 0 CEAERO COc1cc(-c2noc([C@@H]3CCC[NH2+]3)n2)ccc1F ZINC000211989353 651929770 /nfs/dbraw/zinc/92/97/70/651929770.db2.gz WYJBWEGUTIOGKA-JTQLQIEISA-N 1 0 263.272 2.309 10 0 CEAERO CCCCCC[C@H](C)NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129632552 652055103 /nfs/dbraw/zinc/05/51/03/652055103.db2.gz FFZIIXHAVWABEO-AWEZNQCLSA-N 1 0 283.460 2.145 10 0 CEAERO C[C@H](NC(=O)c1coc(C[NH3+])c1)c1cccs1 ZINC000187246479 652345325 /nfs/dbraw/zinc/34/53/25/652345325.db2.gz OSQDTAVWQSEZRF-QMMMGPOBSA-N 1 0 250.323 2.291 10 0 CEAERO C[C@@](O)(C[NH3+])c1cc(Cl)ccc1Br ZINC000082317132 177960983 /nfs/dbraw/zinc/96/09/83/177960983.db2.gz PFGHDHABKCTXSW-SECBINFHSA-N 1 0 264.550 2.269 10 0 CEAERO Cc1nc2ccccc2nc1N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000227077750 282088753 /nfs/dbraw/zinc/08/87/53/282088753.db2.gz YAFCQAHAOVHHCC-JQWIXIFHSA-N 1 0 256.353 2.112 10 0 CEAERO Cc1nc2ccccc2nc1N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094342698 282088906 /nfs/dbraw/zinc/08/89/06/282088906.db2.gz YAFCQAHAOVHHCC-PWSUYJOCSA-N 1 0 256.353 2.112 10 0 CEAERO COCc1nc(CSC)sc1C[NH2+]C1CC1 ZINC000082445770 178022425 /nfs/dbraw/zinc/02/24/25/178022425.db2.gz RFEIVLOBKRUOPE-UHFFFAOYSA-N 1 0 258.412 2.405 10 0 CEAERO O=C(OCc1ccccc1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000095643159 185017278 /nfs/dbraw/zinc/01/72/78/185017278.db2.gz QPGFLXGBPNFBPN-ZIAGYGMSSA-N 1 0 260.337 2.150 10 0 CEAERO CC[NH2+]Cc1sc([C@H]2CCCO2)nc1COC ZINC000082446099 178023089 /nfs/dbraw/zinc/02/30/89/178023089.db2.gz GDGJMMSQGDBEAM-SNVBAGLBSA-N 1 0 256.371 2.251 10 0 CEAERO [NH3+]C[C@H](O[C@H]1CCOC1)c1ccc(Br)cc1 ZINC000082452964 178031305 /nfs/dbraw/zinc/03/13/05/178031305.db2.gz HIYNQFOOYSCYDX-RYUDHWBXSA-N 1 0 286.169 2.254 10 0 CEAERO [NH3+]Cc1ccc(OC2CC2)c(I)c1 ZINC000095738002 185024093 /nfs/dbraw/zinc/02/40/93/185024093.db2.gz QFSMWDCEZCOTGQ-UHFFFAOYSA-N 1 0 289.116 2.291 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc(Br)c1 ZINC000082558843 178095421 /nfs/dbraw/zinc/09/54/21/178095421.db2.gz RZZFYICZPPTNLK-GZMMTYOYSA-N 1 0 283.169 2.243 10 0 CEAERO C[NH+](C)Cc1c[nH]c2nc(Br)ccc12 ZINC000095937255 185034233 /nfs/dbraw/zinc/03/42/33/185034233.db2.gz PTVGZLAJFQAVFI-UHFFFAOYSA-N 1 0 254.131 2.387 10 0 CEAERO CCc1c(Cl)ncnc1N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000124750995 187152028 /nfs/dbraw/zinc/15/20/28/187152028.db2.gz OGCFNCVMEQLWFQ-GXSJLCMTSA-N 1 0 268.792 2.079 10 0 CEAERO COC(=O)C[C@H]([NH3+])c1ccc(-c2ccsc2)nc1 ZINC000034398842 361789326 /nfs/dbraw/zinc/78/93/26/361789326.db2.gz FKZSRFCVUBVRQN-NSHDSACASA-N 1 0 262.334 2.373 10 0 CEAERO C[S@@](=O)C[C@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000082755574 178278586 /nfs/dbraw/zinc/27/85/86/178278586.db2.gz HYCWZCBZCYHBHZ-FVMDXXJSSA-N 1 0 251.273 2.084 10 0 CEAERO CCO[C@@H]1C[C@@H]([N@H+](C)CCC2OCCO2)C12CCCC2 ZINC000125015009 187165380 /nfs/dbraw/zinc/16/53/80/187165380.db2.gz BKVGMRJBRFTLHL-ZIAGYGMSSA-N 1 0 283.412 2.419 10 0 CEAERO CCC[C@H](C(=O)NCc1nc(C)c(C)s1)[NH+](C)C ZINC000125015333 187165628 /nfs/dbraw/zinc/16/56/28/187165628.db2.gz FPWQZMDXONWIOD-LLVKDONJSA-N 1 0 269.414 2.106 10 0 CEAERO C[C@@H](C[NH3+])CS(=O)(=O)c1c(Cl)cccc1Cl ZINC000082790634 178295704 /nfs/dbraw/zinc/29/57/04/178295704.db2.gz XEKDZEZREHYABS-ZETCQYMHSA-N 1 0 282.192 2.362 10 0 CEAERO O[C@@H]1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1CC1CCOCC1 ZINC000124578385 365655778 /nfs/dbraw/zinc/65/57/78/365655778.db2.gz CDBDZPJNRGXJJL-OWCLPIDISA-N 1 0 267.413 2.429 10 0 CEAERO C[NH2+][C@H](c1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 ZINC000082998676 178333376 /nfs/dbraw/zinc/33/33/76/178333376.db2.gz HAYAOPNIWFZNSN-XVKPBYJWSA-N 1 0 279.814 2.097 10 0 CEAERO C[C@@H](C[NH3+])[C@@H](O)c1ccc(F)c(Br)c1 ZINC000083021735 178334180 /nfs/dbraw/zinc/33/41/80/178334180.db2.gz HDQDEBIVOLMXRL-QUBYGPBYSA-N 1 0 262.122 2.216 10 0 CEAERO C[C@]([NH3+])(CO)CCSc1ccc(Br)cn1 ZINC000082905397 178329547 /nfs/dbraw/zinc/32/95/47/178329547.db2.gz MVZJGHWJEWPBOT-SNVBAGLBSA-N 1 0 291.214 2.036 10 0 CEAERO C[C@]([NH3+])(CO)CSc1nc2ccccc2s1 ZINC000082905187 178329641 /nfs/dbraw/zinc/32/96/41/178329641.db2.gz XVDRYZUMDNLUNY-NSHDSACASA-N 1 0 254.380 2.098 10 0 CEAERO C[C@H](C[C@](C)([NH3+])CO)Sc1ncccc1Cl ZINC000082905464 178329643 /nfs/dbraw/zinc/32/96/43/178329643.db2.gz YKIFWMSPWAPKFK-KCJUWKMLSA-N 1 0 260.790 2.315 10 0 CEAERO [NH3+][C@@]1(Cc2ccc(Br)cc2)CCOC1 ZINC000083186913 178352210 /nfs/dbraw/zinc/35/22/10/178352210.db2.gz FFOKXCFWLLLZDU-LLVKDONJSA-N 1 0 256.143 2.109 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C)CN1CCc1ccccc1F ZINC000083383574 178386624 /nfs/dbraw/zinc/38/66/24/178386624.db2.gz LWWVYDCEPLHEQR-OCCSQVGLSA-N 1 0 250.361 2.441 10 0 CEAERO [NH3+]CCc1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000036093363 361827716 /nfs/dbraw/zinc/82/77/16/361827716.db2.gz YNFGKNGJUDQMQL-UHFFFAOYSA-N 1 0 261.346 2.021 10 0 in-vivo CEAERO CCN[C@](C)(C[C@@H](C)[N@H+](CCC(C)C)C1CC1)C(N)=O ZINC000096818487 185115171 /nfs/dbraw/zinc/11/51/71/185115171.db2.gz PADNYABCJTVRQM-CZUORRHYSA-N 1 0 283.460 2.129 10 0 CEAERO [NH3+]Cc1ccc2nc([C@H](O)c3ccccc3)[nH]c2c1 ZINC000096874725 185119084 /nfs/dbraw/zinc/11/90/84/185119084.db2.gz UFRNEKDQAPZEBE-CQSZACIVSA-N 1 0 253.305 2.103 10 0 CEAERO C[C@H]1CO[C@H](c2ccccc2Br)C[NH2+]1 ZINC000036673407 361850498 /nfs/dbraw/zinc/85/04/98/361850498.db2.gz HIMIAVYXAVUXDB-KWQFWETISA-N 1 0 256.143 2.499 10 0 CEAERO C[C@H]([NH2+]CC(=O)NC1CC1)c1cccc(Br)c1 ZINC000036782416 361858294 /nfs/dbraw/zinc/85/82/94/361858294.db2.gz XDBASQLCGVEQQV-VIFPVBQESA-N 1 0 297.196 2.378 10 0 CEAERO c1ccc(CN2CCSCC23CC[NH2+]CC3)cc1 ZINC000096949200 185137937 /nfs/dbraw/zinc/13/79/37/185137937.db2.gz ASWWCOYZGCKYPA-UHFFFAOYSA-N 1 0 262.422 2.358 10 0 CEAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+][C@H]1C1CCCC1 ZINC000096958538 185141746 /nfs/dbraw/zinc/14/17/46/185141746.db2.gz VDBKNZNTFCNVMN-NEPJUHHUSA-N 1 0 254.374 2.432 10 0 CEAERO CCN(CC)[C@@H](C[NH3+])c1ccc2c(c1)OCCCO2 ZINC000037675126 361921183 /nfs/dbraw/zinc/92/11/83/361921183.db2.gz RSHNUJYIIWDTEN-ZDUSSCGKSA-N 1 0 264.369 2.190 10 0 CEAERO C[C@@H]1C[NH2+]CC[C@@]12C[C@H](O)c1ccc(F)cc1O2 ZINC000097005930 185150950 /nfs/dbraw/zinc/15/09/50/185150950.db2.gz BQRKOBKMOVAYPT-LJWDBELGSA-N 1 0 251.301 2.010 10 0 CEAERO C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000125455880 187186120 /nfs/dbraw/zinc/18/61/20/187186120.db2.gz SRWCKDBKEFARIF-LEWSCRJBSA-N 1 0 278.783 2.264 10 0 CEAERO C[C@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000125455662 187186295 /nfs/dbraw/zinc/18/62/95/187186295.db2.gz SRWCKDBKEFARIF-GDLCADMTSA-N 1 0 278.783 2.264 10 0 CEAERO Brc1cccc(Cn2cncc2C2C[NH2+]C2)c1 ZINC000097023474 185153745 /nfs/dbraw/zinc/15/37/45/185153745.db2.gz XKUDJLQTCJISNN-UHFFFAOYSA-N 1 0 292.180 2.381 10 0 CEAERO O=c1c(C[NH2+]C[C@H]2CCCO2)cc2cccc3c2n1CCC3 ZINC000039287258 361988002 /nfs/dbraw/zinc/98/80/02/361988002.db2.gz YJNDESHQFLBZSC-MRXNPFEDSA-N 1 0 298.386 2.216 10 0 CEAERO C[C@H](NC(=O)C[NH2+]C1CC1)c1ccc(Cl)cc1 ZINC000040415369 361991937 /nfs/dbraw/zinc/99/19/37/361991937.db2.gz ZYXHYYOGAUBKFO-VIFPVBQESA-N 1 0 252.745 2.269 10 0 CEAERO CCC[C@H]([NH3+])C(=O)NCCc1ccc(OC(F)F)cc1 ZINC000040832828 362003135 /nfs/dbraw/zinc/00/31/35/362003135.db2.gz QDPZPFXBLTUMKH-LBPRGKRZSA-N 1 0 286.322 2.074 10 0 CEAERO Cc1cc(C[NH2+]C[C@H]2CCC(=O)N2)ccc1Br ZINC000073852726 539167251 /nfs/dbraw/zinc/16/72/51/539167251.db2.gz OQGYEYDPSFPWMS-LLVKDONJSA-N 1 0 297.196 2.126 10 0 CEAERO [NH3+][C@@H]1C[C@@]12CNc1c2cc(Cl)cc1Br ZINC000725247598 539192166 /nfs/dbraw/zinc/19/21/66/539192166.db2.gz RTGMZZRVFJYVHT-SCZZXKLOSA-N 1 0 273.561 2.497 10 0 CEAERO CCc1noc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)n1 ZINC000124634260 539204586 /nfs/dbraw/zinc/20/45/86/539204586.db2.gz AZFAUWMYTSWSJU-XQQFMLRXSA-N 1 0 279.384 2.148 10 0 CEAERO CC(C)(C)OC(=O)N1CCOc2cc(C[NH3+])ccc2C1 ZINC000725260197 539206739 /nfs/dbraw/zinc/20/67/39/539206739.db2.gz OOOJZAGONLULKR-UHFFFAOYSA-N 1 0 278.352 2.275 10 0 CEAERO CC(C)(C)NC(=O)N1CCC[C@H]([C@]23CC[C@H]2CC[NH2+]3)C1 ZINC000725263448 539212181 /nfs/dbraw/zinc/21/21/81/539212181.db2.gz HAQDBQQYQKLMGY-XEZPLFJOSA-N 1 0 279.428 2.349 10 0 CEAERO C[C@@H](O)C[N@H+](C)[C@H](C)c1cnn(CC2CCC2)c1 ZINC000725264119 539212444 /nfs/dbraw/zinc/21/24/44/539212444.db2.gz DBFUTZLCJMNTJC-VXGBXAGGSA-N 1 0 251.374 2.057 10 0 CEAERO Cc1sc([C@H]2CCC[NH2+]2)nc1C(=O)NC(C)C ZINC000725264474 539212928 /nfs/dbraw/zinc/21/29/28/539212928.db2.gz PPPRGBAJYKVYGZ-SECBINFHSA-N 1 0 253.371 2.014 10 0 CEAERO COCCC[NH2+]C[C@@H](CCOC)c1ccccc1 ZINC000725266797 539213753 /nfs/dbraw/zinc/21/37/53/539213753.db2.gz DZCKFGDBGDOUSY-OAHLLOKOSA-N 1 0 251.370 2.433 10 0 CEAERO CC1(C)C[C@H]2CC[C@H]([NH+]3CCOCC3)[C@@H](C1)C2=O ZINC000725268254 539214282 /nfs/dbraw/zinc/21/42/82/539214282.db2.gz WRZKLHFIFHIUSX-UPJWGTAASA-N 1 0 251.370 2.103 10 0 CEAERO CCC[C@@H](C(=O)NCC(C)(C)c1ccncc1)[NH+](C)C ZINC000091859858 539228429 /nfs/dbraw/zinc/22/84/29/539228429.db2.gz OQIMSGYPNSUHOF-AWEZNQCLSA-N 1 0 277.412 2.206 10 0 CEAERO CCN1CCO[C@H](C[NH2+]Cc2ccc(Cl)cc2C)C1 ZINC000231747126 539232402 /nfs/dbraw/zinc/23/24/02/539232402.db2.gz UBMUXOFACSHEFR-OAHLLOKOSA-N 1 0 282.815 2.459 10 0 CEAERO C[NH2+]CCCNC(=O)[C@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000262754229 290654789 /nfs/dbraw/zinc/65/47/89/290654789.db2.gz OGFMEFYYXMSVFW-HOTGVXAUSA-N 1 0 290.407 2.188 10 0 CEAERO CCN1CCO[C@H](C[NH2+]C[C@H]2CC(C)=C[C@H](C)C2)C1 ZINC000300077567 539248541 /nfs/dbraw/zinc/24/85/41/539248541.db2.gz DFFCPJQAXOJMIH-NUEKZKHPSA-N 1 0 266.429 2.289 10 0 CEAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CC3(C2)CCCCC3)C1 ZINC000336530903 282203442 /nfs/dbraw/zinc/20/34/42/282203442.db2.gz GXVBQMPDLTWFMP-ZIAGYGMSSA-N 1 0 279.428 2.445 10 0 CEAERO O[C@H](COCc1ccccc1)C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000677730373 539260332 /nfs/dbraw/zinc/26/03/32/539260332.db2.gz IBKLUGXXVJSHSW-KGLIPLIRSA-N 1 0 285.334 2.151 10 0 CEAERO C[C@H](NC(=O)CC1([NH3+])CC1)c1ccc(F)c(F)c1 ZINC000398099907 539261207 /nfs/dbraw/zinc/26/12/07/539261207.db2.gz RVYNIZUPRIDVJW-QMMMGPOBSA-N 1 0 254.280 2.023 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc2[nH]cnc2c1 ZINC000040834934 362005854 /nfs/dbraw/zinc/00/58/54/362005854.db2.gz AUKNEFYVKMJJIO-CYBMUJFWSA-N 1 0 288.395 2.269 10 0 CEAERO C[C@H](CCc1ccc(O)cc1)[NH2+]CCc1c[nH]cn1 ZINC000029400716 343400016 /nfs/dbraw/zinc/40/00/16/343400016.db2.gz RHYGQVWDQIOTFG-GFCCVEGCSA-N 1 0 259.353 2.269 10 0 CEAERO C[C@H](NC(=O)C1([NH3+])CCOCC1)c1ccc(Cl)cc1 ZINC000127870007 187337897 /nfs/dbraw/zinc/33/78/97/187337897.db2.gz YYAOJKVQGSGZTD-JTQLQIEISA-N 1 0 282.771 2.025 10 0 CEAERO COC(C[NH2+]CCCc1cc(F)cc(F)c1)OC ZINC000034475001 343419988 /nfs/dbraw/zinc/41/99/88/343419988.db2.gz WPYLQRMMKDKISI-UHFFFAOYSA-N 1 0 259.296 2.106 10 0 CEAERO c1cncc(-c2ccc([C@@]34CC[N@H+](C3)CCC4)nn2)c1 ZINC000034872950 343420792 /nfs/dbraw/zinc/42/07/92/343420792.db2.gz AWTRYKNCQRAEHP-INIZCTEOSA-N 1 0 266.348 2.276 10 0 CEAERO COc1cc(C[NH2+][C@@H]2CCC[C@@H](O)C2)cc(OC)c1 ZINC000037166292 343426233 /nfs/dbraw/zinc/42/62/33/343426233.db2.gz GENFFKDUGGLNKF-CHWSQXEVSA-N 1 0 265.353 2.097 10 0 CEAERO CCCCOC[C@H](O)C[NH2+]C[C@@H]1Cc2ccccc21 ZINC000227894085 539323422 /nfs/dbraw/zinc/32/34/22/539323422.db2.gz HCOYBQOVRYUXRX-LSDHHAIUSA-N 1 0 263.381 2.094 10 0 CEAERO C[C@H](O)CCC[NH+]1CCC(c2nccs2)CC1 ZINC000336704578 365769487 /nfs/dbraw/zinc/76/94/87/365769487.db2.gz KWQPIOIXFMDFTF-NSHDSACASA-N 1 0 254.399 2.484 10 0 CEAERO OCCN1CCC([NH2+][C@H]2CCCC[C@@H]2C2CC2)CC1 ZINC000679577853 539330758 /nfs/dbraw/zinc/33/07/58/539330758.db2.gz WGZKVTWBDTZCTL-CVEARBPZSA-N 1 0 266.429 2.002 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CSCC(F)(F)F)C1 ZINC000128225386 365780834 /nfs/dbraw/zinc/78/08/34/365780834.db2.gz KFMJHOPPGQYFAV-ZJUUUORDSA-N 1 0 298.374 2.127 10 0 CEAERO Cc1ccc([C@@H]([NH3+])CN2C(=O)c3ccccc3C2=O)s1 ZINC000059113083 343652422 /nfs/dbraw/zinc/65/24/22/343652422.db2.gz MZLPXZNLTJRJBZ-LBPRGKRZSA-N 1 0 286.356 2.353 10 0 CEAERO CC(C)[C@@H]1CN(Cc2ccc3c(c2)OCO3)[C@H](C)C[NH2+]1 ZINC000083548457 178576817 /nfs/dbraw/zinc/57/68/17/178576817.db2.gz UTJYXVNWQFUWRG-OCCSQVGLSA-N 1 0 276.380 2.234 10 0 CEAERO Cc1cn(C2CC[NH2+]CC2)nc1-c1[nH]nc2ncccc21 ZINC000068200151 343756785 /nfs/dbraw/zinc/75/67/85/343756785.db2.gz SVAYZJNCMKCBQY-UHFFFAOYSA-N 1 0 282.351 2.054 10 0 CEAERO [NH3+]C[C@H](c1cccc(Br)c1)[C@H](O)C(F)(F)F ZINC000083564580 178581191 /nfs/dbraw/zinc/58/11/91/178581191.db2.gz RCXDVKDJLPKXQL-BDAKNGLRSA-N 1 0 298.102 2.415 10 0 CEAERO C[C@@H](Cc1cccs1)[NH2+]C[C@H](O)COCc1ccco1 ZINC000071270603 343800988 /nfs/dbraw/zinc/80/09/88/343800988.db2.gz ZJUFKOQYGOQNQG-STQMWFEESA-N 1 0 295.404 2.439 10 0 CEAERO CC(C)Oc1cncc(NCc2ccc(C[NH3+])cc2)n1 ZINC000071175828 343801058 /nfs/dbraw/zinc/80/10/58/343801058.db2.gz VAPBTWQYNQEHSL-UHFFFAOYSA-N 1 0 272.352 2.335 10 0 CEAERO C[C@@H]1C[C@@]2(C=CC(=O)N2c2cccc(F)c2)CC[NH2+]1 ZINC000071603062 343801842 /nfs/dbraw/zinc/80/18/42/343801842.db2.gz MSHAGNFMSJIZNP-IAQYHMDHSA-N 1 0 260.312 2.239 10 0 CEAERO CN(CCc1cccs1)C(=O)c1c[nH+]ccc1N ZINC000128127132 187352921 /nfs/dbraw/zinc/35/29/21/187352921.db2.gz OSGNCKMKOSHAEE-UHFFFAOYSA-N 1 0 261.350 2.040 10 0 CEAERO C[C@@H]1C[C@@H](C[NH3+])CN1c1ncccc1Br ZINC000127037831 187278247 /nfs/dbraw/zinc/27/82/47/187278247.db2.gz SXJFUNRJEBGBJQ-BDAKNGLRSA-N 1 0 270.174 2.018 10 0 CEAERO CCOc1ccc(C(C)=O)cc1CN1CCC[C@H]1C[NH3+] ZINC000128150448 187355117 /nfs/dbraw/zinc/35/51/17/187355117.db2.gz FGWMDOSAVRQXPU-HNNXBMFYSA-N 1 0 276.380 2.211 10 0 CEAERO Cc1cc(F)ccc1C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000127078061 187280714 /nfs/dbraw/zinc/28/07/14/187280714.db2.gz SWVDRHLWSPWQOQ-MFKMUULPSA-N 1 0 250.317 2.004 10 0 CEAERO [NH3+]C[C@@H]1CCCN1Cc1coc(-c2cccc(F)c2)n1 ZINC000128200751 187356208 /nfs/dbraw/zinc/35/62/08/187356208.db2.gz GXYUFUOLAGDNQS-AWEZNQCLSA-N 1 0 275.327 2.404 10 0 CEAERO COc1c(C[NH2+]C[C@H]2Cc3ccccc32)c(C)nn1C ZINC000105444453 344256745 /nfs/dbraw/zinc/25/67/45/344256745.db2.gz PPLUMMFIUVDMLA-CYBMUJFWSA-N 1 0 271.364 2.167 10 0 CEAERO C[C@@H]1CCC[N@@H+]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000113336478 344277005 /nfs/dbraw/zinc/27/70/05/344277005.db2.gz LAUIXSJMNZRLFP-VXGBXAGGSA-N 1 0 254.374 2.480 10 0 CEAERO Cc1cc(Br)cnc1NC1(C[NH3+])CC1 ZINC000127043042 344328139 /nfs/dbraw/zinc/32/81/39/344328139.db2.gz NORUJDWVKKJSBS-UHFFFAOYSA-N 1 0 256.147 2.056 10 0 CEAERO [NH3+]Cc1c(Br)scc1[C@@H]1CCOC1 ZINC000132821958 344365889 /nfs/dbraw/zinc/36/58/89/344365889.db2.gz PGXGUDBRMBZARC-ZCFIWIBFSA-N 1 0 262.172 2.473 10 0 CEAERO CC(C)Oc1cncc(NC[C@@]2(C)CCC[NH2+]C2)n1 ZINC000129287257 344342469 /nfs/dbraw/zinc/34/24/69/344342469.db2.gz JLGWSWTUIHFIHJ-AWEZNQCLSA-N 1 0 264.373 2.065 10 0 CEAERO Cc1ccc([C@H](C[NH3+])N(C)C)c(Br)c1 ZINC000129633246 344345632 /nfs/dbraw/zinc/34/56/32/344345632.db2.gz ORCYAGQIPSLZIJ-NSHDSACASA-N 1 0 257.175 2.319 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](C(=O)NC2CC(C)(C)CC(C)(C)C2)C1 ZINC000130951571 344355548 /nfs/dbraw/zinc/35/55/48/344355548.db2.gz GTFYYAOHJCFGNX-CHWSQXEVSA-N 1 0 282.428 2.084 10 0 CEAERO Cc1cccc(NC(=O)[C@H](C)[NH3+])c1Br ZINC000131353896 344357280 /nfs/dbraw/zinc/35/72/80/344357280.db2.gz CJYGWJZPRZLWIZ-ZETCQYMHSA-N 1 0 257.131 2.043 10 0 CEAERO Cc1cccc(N2CC[C@@H]([NH3+])C2)c1Br ZINC000131824525 344360201 /nfs/dbraw/zinc/36/02/01/344360201.db2.gz PVQRDPJLTQEICU-SECBINFHSA-N 1 0 255.159 2.295 10 0 CEAERO [NH3+][C@H]1CCC[C@H](C(=O)N(C2CC2)C2CCCC2)C1 ZINC000151315970 344420853 /nfs/dbraw/zinc/42/08/53/344420853.db2.gz FXVOHPUYABVNCY-RYUDHWBXSA-N 1 0 250.386 2.438 10 0 CEAERO Cc1occc1CN(C)C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000133372334 344368453 /nfs/dbraw/zinc/36/84/53/344368453.db2.gz JPRTYSKWLYIYDM-AWEZNQCLSA-N 1 0 250.342 2.079 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]Cc2ccc(OC(C)C)cc2)C1 ZINC000134434971 344374208 /nfs/dbraw/zinc/37/42/08/344374208.db2.gz BQFCJEOSSGZPCX-KRWDZBQOSA-N 1 0 292.423 2.284 10 0 CEAERO Cc1ccc(Br)c(NC(=O)[C@H](C)[NH3+])c1 ZINC000134864869 344378043 /nfs/dbraw/zinc/37/80/43/344378043.db2.gz VFVGWIWFIZKPRQ-ZETCQYMHSA-N 1 0 257.131 2.043 10 0 CEAERO Cc1cc(Br)c(F)cc1NC1C[NH2+]C1 ZINC000135227511 344380840 /nfs/dbraw/zinc/38/08/40/344380840.db2.gz OYRICZIBZJDFNX-UHFFFAOYSA-N 1 0 259.122 2.280 10 0 CEAERO COC(=O)c1cc(NC(=O)C[C@@H]([NH3+])C(C)C)ccc1Cl ZINC000136322957 344384713 /nfs/dbraw/zinc/38/47/13/344384713.db2.gz LHDKFOXADRPOED-GFCCVEGCSA-N 1 0 298.770 2.439 10 0 CEAERO OCC1([NH+]2CCN(Cc3ccccc3)CC2)CCCC1 ZINC000141359075 344400754 /nfs/dbraw/zinc/40/07/54/344400754.db2.gz RZVGGPJWODMUJR-UHFFFAOYSA-N 1 0 274.408 2.109 10 0 CEAERO C[C@@H]1CS[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)[NH2+]1 ZINC000159143956 344453771 /nfs/dbraw/zinc/45/37/71/344453771.db2.gz XIQIMXQZEIXMSI-ZWNOBZJWSA-N 1 0 272.414 2.439 10 0 CEAERO C[C@H]([NH3+])[C@H]1CCN(c2nc(Br)cs2)C1 ZINC000160622856 344459986 /nfs/dbraw/zinc/45/99/86/344459986.db2.gz ABUQUWGMPILRMQ-BQBZGAKWSA-N 1 0 276.203 2.079 10 0 CEAERO [NH3+]CCCc1n[nH]c2cccc(Br)c21 ZINC000215298484 344533813 /nfs/dbraw/zinc/53/38/13/344533813.db2.gz CMMVNSKLSDWGEN-UHFFFAOYSA-N 1 0 254.131 2.217 10 0 CEAERO [O-][N+]1=C(c2cc3ccccc3o2)C=[N+](O)[C@H]2CCCC[C@H]21 ZINC000225405257 344545263 /nfs/dbraw/zinc/54/52/63/344545263.db2.gz YZVDZNRXOFZKOJ-QWHCGFSZSA-N 1 0 286.331 2.421 10 0 CEAERO CN(C(=O)c1c(F)cc(F)cc1F)[C@H]1CCC[NH2+]CC1 ZINC000226456686 344550315 /nfs/dbraw/zinc/55/03/15/344550315.db2.gz VPRYJTGNNKADOS-JTQLQIEISA-N 1 0 286.297 2.318 10 0 CEAERO CCCCOC[C@H](O)C[NH2+][C@H]1CCc2ccccc2C1 ZINC000227891861 344557533 /nfs/dbraw/zinc/55/75/33/344557533.db2.gz MCJFANAGPDKQAZ-DLBZAZTESA-N 1 0 277.408 2.311 10 0 CEAERO CCCCOC[C@@H](O)C[NH2+]CCc1ccc(F)cc1C ZINC000227894488 344557578 /nfs/dbraw/zinc/55/75/78/344557578.db2.gz JOUXIBOXFXJOMU-INIZCTEOSA-N 1 0 283.387 2.444 10 0 CEAERO OCC[C@H]1CC[N@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000229395766 344567739 /nfs/dbraw/zinc/56/77/39/344567739.db2.gz OSKUFZLFJJDWGX-KGLIPLIRSA-N 1 0 253.386 2.183 10 0 CEAERO Clc1cccc(NC2C[NH2+]C2)c1Br ZINC000236047859 344593969 /nfs/dbraw/zinc/59/39/69/344593969.db2.gz WIVJHKUCSFUSHT-UHFFFAOYSA-N 1 0 261.550 2.486 10 0 CEAERO [NH3+]Cc1cn(Cc2cc(Br)cs2)cn1 ZINC000236229458 344594987 /nfs/dbraw/zinc/59/49/87/344594987.db2.gz OADBLFYONYLVMQ-UHFFFAOYSA-N 1 0 272.171 2.214 10 0 CEAERO Brc1ccc(CO[C@H]2CC[NH2+]C2)s1 ZINC000051782468 362436650 /nfs/dbraw/zinc/43/66/50/362436650.db2.gz DOVGCECTBVTGHR-ZETCQYMHSA-N 1 0 262.172 2.389 10 0 CEAERO CCC(C)(C)C[NH2+]C[C@@H](O)COCc1ccco1 ZINC000232883481 344580178 /nfs/dbraw/zinc/58/01/78/344580178.db2.gz VSJQDPUKBAODJQ-GFCCVEGCSA-N 1 0 255.358 2.183 10 0 CEAERO [NH3+]CCc1nnc(-c2ccc(Br)s2)o1 ZINC000050283738 362414071 /nfs/dbraw/zinc/41/40/71/362414071.db2.gz PGVDAMNDGVMUFU-UHFFFAOYSA-N 1 0 274.143 2.062 10 0 CEAERO CC(C)(C[C@H]([NH3+])c1ccc(Br)s1)C(N)=O ZINC000083686125 178686755 /nfs/dbraw/zinc/68/67/55/178686755.db2.gz JFFUYYLNNMBRTR-LURJTMIESA-N 1 0 291.214 2.412 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)c1nc(C(C)(C)C)no1 ZINC000262284759 344654488 /nfs/dbraw/zinc/65/44/88/344654488.db2.gz LYYZBFBURVPSSS-AXFHLTTASA-N 1 0 294.399 2.062 10 0 CEAERO CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000262287828 344654491 /nfs/dbraw/zinc/65/44/91/344654491.db2.gz MSXAAIRFPCAJMV-XGUBFFRZSA-N 1 0 282.428 2.071 10 0 CEAERO COC(=O)c1csc(C[NH2+][C@H](C)[C@H]2CCCO2)c1 ZINC000602510022 347061998 /nfs/dbraw/zinc/06/19/98/347061998.db2.gz IJZCSIIFGHGRBV-BXKDBHETSA-N 1 0 269.366 2.192 10 0 CEAERO [NH3+]C[C@@H]1C[C@H]1c1cccc(I)c1 ZINC000307093791 344720039 /nfs/dbraw/zinc/72/00/39/344720039.db2.gz DMLCACRAQLZEJC-WPRPVWTQSA-N 1 0 273.117 2.353 10 0 CEAERO C[C@@H]([C@@H]([NH3+])c1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000307144019 344720628 /nfs/dbraw/zinc/72/06/28/344720628.db2.gz LKTXRDJQQSLQOD-XHDPSFHLSA-N 1 0 280.327 2.371 10 0 CEAERO [NH3+][C@H](c1cn[nH]c1)c1sccc1Br ZINC000307340029 344721852 /nfs/dbraw/zinc/72/18/52/344721852.db2.gz SNQUBNUKVNQHQM-SSDOTTSWSA-N 1 0 258.144 2.282 10 0 CEAERO [NH3+][C@@H]1CSC[C@@H]1Cc1coc(Br)c1 ZINC000307450811 344722718 /nfs/dbraw/zinc/72/27/18/344722718.db2.gz RUBWWSMPRJIYDB-JGVFFNPUSA-N 1 0 262.172 2.275 10 0 CEAERO C[C@@H]1CN(Cc2cscc2Br)C[C@@H]1[NH3+] ZINC000307634721 344723829 /nfs/dbraw/zinc/72/38/29/344723829.db2.gz QCOWHOQBYDHIIK-XCBNKYQSSA-N 1 0 275.215 2.290 10 0 CEAERO CCOC(=O)c1cnc(N[C@@H]2CCC[N@H+](CC)C2)s1 ZINC000311958806 344736850 /nfs/dbraw/zinc/73/68/50/344736850.db2.gz IWFAKBOKIAVKBQ-SNVBAGLBSA-N 1 0 283.397 2.216 10 0 CEAERO C[C@@H]1CCC[C@H](CNC(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000300677917 344701486 /nfs/dbraw/zinc/70/14/86/344701486.db2.gz BDEIKEAWQFDLEG-HZSPNIEDSA-N 1 0 252.402 2.319 10 0 CEAERO CC[NH2+]Cc1sccc1I ZINC000306229070 344712448 /nfs/dbraw/zinc/71/24/48/344712448.db2.gz IPDXGHSBDCIELP-UHFFFAOYSA-N 1 0 267.135 2.462 10 0 CEAERO COc1cc(NCC2CC[NH2+]CC2)c([N+](=O)[O-])cc1C ZINC000380244812 344822349 /nfs/dbraw/zinc/82/23/49/344822349.db2.gz NBROVVUIUGCGNN-UHFFFAOYSA-N 1 0 279.340 2.323 10 0 CEAERO CCC[C@@]1(C(=O)Nc2nc(C(C)=O)cs2)CC[NH2+]C1 ZINC000083868060 178755200 /nfs/dbraw/zinc/75/52/00/178755200.db2.gz LGHUUIOIEGUWJH-CYBMUJFWSA-N 1 0 281.381 2.064 10 0 CEAERO COc1cccc(COCC2([NH3+])CCCCC2)n1 ZINC000083866679 178755591 /nfs/dbraw/zinc/75/55/91/178755591.db2.gz GZPXPWJHZFWFPX-UHFFFAOYSA-N 1 0 250.342 2.268 10 0 CEAERO Cc1cc(CC[NH3+])nc(Cc2ccc(F)cc2F)n1 ZINC000083882581 178757488 /nfs/dbraw/zinc/75/74/88/178757488.db2.gz IMNYIPHMYGYUIQ-UHFFFAOYSA-N 1 0 263.291 2.155 10 0 CEAERO O[C@@H]1CCCC[C@H]1[NH2+]CCc1c(F)cccc1F ZINC000402100788 344871592 /nfs/dbraw/zinc/87/15/92/344871592.db2.gz UWWPOEKXQRZPML-ZIAGYGMSSA-N 1 0 255.308 2.400 10 0 CEAERO COc1ccc([S@](=O)CCCC[C@H](C)[NH3+])cc1 ZINC000084002185 178769543 /nfs/dbraw/zinc/76/95/43/178769543.db2.gz XINYVZRMLHDSSY-GTNSWQLSSA-N 1 0 255.383 2.320 10 0 CEAERO CCC[NH2+][C@@H](C[S@@](=O)CCOC)c1ccccc1 ZINC000084035440 178775422 /nfs/dbraw/zinc/77/54/22/178775422.db2.gz WJADHZAATZZJSS-KBXCAEBGSA-N 1 0 269.410 2.122 10 0 CEAERO CCC[C@@](C[NH3+])(c1cccc(OC)c1)[C@@H](C)CO ZINC000584597057 344961406 /nfs/dbraw/zinc/96/14/06/344961406.db2.gz WCMHOXUXPRULGH-WFASDCNBSA-N 1 0 251.370 2.320 10 0 CEAERO NC(=O)C1([NH+]2CC3CCC(CC3)C2)CCCCC1 ZINC000584600680 344962478 /nfs/dbraw/zinc/96/24/78/344962478.db2.gz UMPCNASUGILWER-UHFFFAOYSA-N 1 0 250.386 2.297 10 0 CEAERO CC[C@@H](C)[NH2+][C@@H](C)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000584605108 344963570 /nfs/dbraw/zinc/96/35/70/344963570.db2.gz BNZHZYBYIUOPJY-MNOVXSKESA-N 1 0 298.408 2.017 10 0 CEAERO C[NH+](C)C[C@@H]1COc2ccccc2[C@@]1(O)c1ccccc1 ZINC000584626316 344968363 /nfs/dbraw/zinc/96/83/63/344968363.db2.gz SLCBSKKXXYOQMP-CRAIPNDOSA-N 1 0 283.371 2.493 10 0 CEAERO COc1cnc(-c2cnc(C(F)(F)F)nc2)cc1C[NH3+] ZINC000584637189 344971288 /nfs/dbraw/zinc/97/12/88/344971288.db2.gz LBWCMKQMIITMMO-UHFFFAOYSA-N 1 0 284.241 2.025 10 0 CEAERO CCOC[C@H]([NH3+])Cc1cc(F)ccc1Br ZINC000084064075 178783098 /nfs/dbraw/zinc/78/30/98/178783098.db2.gz CYLWQCAVTMRQLS-SNVBAGLBSA-N 1 0 276.149 2.495 10 0 CEAERO CNc1c(N)c[nH+]c2c(C)ccc(Br)c12 ZINC000584882727 344995996 /nfs/dbraw/zinc/99/59/96/344995996.db2.gz NVECAPWNPHYVHR-UHFFFAOYSA-N 1 0 266.142 2.352 10 0 CEAERO CC[NH+]1CCN(c2cc3ccccc3c(=O)[nH]2)CC1 ZINC000584880900 344996317 /nfs/dbraw/zinc/99/63/17/344996317.db2.gz ALVZHYSBIQJMLV-UHFFFAOYSA-N 1 0 257.337 2.082 10 0 CEAERO C[NH2+]C[C@@H]1CCCN1c1ccc(C(F)(F)F)cn1 ZINC000053703620 362498474 /nfs/dbraw/zinc/49/84/74/362498474.db2.gz CBWXPQWRYHRCCH-JTQLQIEISA-N 1 0 259.275 2.289 10 0 CEAERO C[NH2+][C@H](C)C(=O)N(C)[C@H](C)c1cc(F)ccc1F ZINC000054075044 362510723 /nfs/dbraw/zinc/51/07/23/362510723.db2.gz ZYWWGIAAMWYYJP-RKDXNWHRSA-N 1 0 256.296 2.092 10 0 CEAERO Cc1cccc(CCNC(=O)C[C@@H]2CCC[NH2+]C2)c1 ZINC000054292841 362523272 /nfs/dbraw/zinc/52/32/72/362523272.db2.gz QQUIYROANMGFCQ-HNNXBMFYSA-N 1 0 260.381 2.043 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1nc(C2CC2)cs1 ZINC000054308939 362526609 /nfs/dbraw/zinc/52/66/09/362526609.db2.gz BEDJTQRBQGHJSD-SECBINFHSA-N 1 0 265.382 2.349 10 0 CEAERO COc1cccc(F)c1[C@H](C)[NH2+][C@@H]1CCC[C@H]1O ZINC000323802897 539440594 /nfs/dbraw/zinc/44/05/94/539440594.db2.gz GIXBPGANODUODN-MVWJERBFSA-N 1 0 253.317 2.398 10 0 CEAERO CC[C@H](Cc1c(Br)c(C)nn1C)[NH2+]C ZINC000084273712 178839657 /nfs/dbraw/zinc/83/96/57/178839657.db2.gz FLNDFBCNLGLERD-MRVPVSSYSA-N 1 0 260.179 2.032 10 0 CEAERO CC(C)c1ccc(S(=O)(=O)C[C@H](C)C[NH3+])cc1 ZINC000084267496 178835120 /nfs/dbraw/zinc/83/51/20/178835120.db2.gz UPAFTBMHJYEWAN-LLVKDONJSA-N 1 0 255.383 2.179 10 0 CEAERO [NH3+]Cc1ccccc1CS(=O)(=O)c1cccs1 ZINC000084269100 178836091 /nfs/dbraw/zinc/83/60/91/178836091.db2.gz SGYKNRGZTFHJSX-UHFFFAOYSA-N 1 0 267.375 2.181 10 0 CEAERO CCc1nn(C)c(C[C@@H]2CC[C@H]([NH3+])C2)c1Br ZINC000084297377 178848438 /nfs/dbraw/zinc/84/84/38/178848438.db2.gz UBOGHDWBOVEKHP-BDAKNGLRSA-N 1 0 286.217 2.415 10 0 CEAERO CCCN[C@](C)(C[C@@H](C)[NH+]1CCCC1)C(=O)OCC ZINC000084299052 178848964 /nfs/dbraw/zinc/84/89/64/178848964.db2.gz JXZIAMGBSBGVOV-UKRRQHHQSA-N 1 0 270.417 2.182 10 0 CEAERO CCc1nn(CC)c(CCC[NH2+]C)c1Br ZINC000084299291 178849240 /nfs/dbraw/zinc/84/92/40/178849240.db2.gz PFHSEGCFGLBYEA-UHFFFAOYSA-N 1 0 274.206 2.380 10 0 CEAERO CCCN[C@](C)(C[C@H](C)[NH+](CC)CC)C(=O)OC ZINC000084299833 178850638 /nfs/dbraw/zinc/85/06/38/178850638.db2.gz ZCENNDNZMTYTET-GXTWGEPZSA-N 1 0 258.406 2.038 10 0 CEAERO C[NH2+][C@](C)(C[C@H](C)Sc1ccccc1C)C(N)=O ZINC000084350666 178862733 /nfs/dbraw/zinc/86/27/33/178862733.db2.gz DKOMRXMOOUGNQR-SMDDNHRTSA-N 1 0 266.410 2.329 10 0 CEAERO OC[C@]1(Cc2ccc(F)cc2Cl)CCC[NH2+]C1 ZINC000097153630 185550080 /nfs/dbraw/zinc/55/00/80/185550080.db2.gz IOFAEUPJUNQVNI-ZDUSSCGKSA-N 1 0 257.736 2.384 10 0 CEAERO CC(C)CCCO[C@@H](C)C[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000084366864 178874906 /nfs/dbraw/zinc/87/49/06/178874906.db2.gz XYYVEHAGZZBEPX-DZGCQCFKSA-N 1 0 272.433 2.460 10 0 CEAERO C[NH2+][C@@H]1CC[C@@H](S(=O)(=O)Cc2ccccc2C)C1 ZINC000084433937 178887648 /nfs/dbraw/zinc/88/76/48/178887648.db2.gz DBAUUIMFAVNNBI-ZIAGYGMSSA-N 1 0 267.394 2.050 10 0 CEAERO [NH3+][C@@H]1CCC[C@H](S(=O)(=O)c2ccc3c(c2)CCC3)C1 ZINC000084430061 178885962 /nfs/dbraw/zinc/88/59/62/178885962.db2.gz FHGWEBKEXXLJGC-KGLIPLIRSA-N 1 0 279.405 2.219 10 0 CEAERO C[NH+](C)C[C@H](NC(=O)c1cccc(F)n1)c1ccccc1 ZINC000127463648 187308445 /nfs/dbraw/zinc/30/84/45/187308445.db2.gz CPWZKGSWMQRAHX-AWEZNQCLSA-N 1 0 287.338 2.253 10 0 CEAERO CC[NH2+][C@@H](Cn1cnc2ccccc21)C1CCOCC1 ZINC000097180935 185556816 /nfs/dbraw/zinc/55/68/16/185556816.db2.gz UATUZHRLQAPOOJ-HNNXBMFYSA-N 1 0 273.380 2.441 10 0 CEAERO CCC[C@H]([NH3+])C(=O)NCc1nc(C(C)(C)C)cs1 ZINC000236885779 370646615 /nfs/dbraw/zinc/64/66/15/370646615.db2.gz BHIQOLRTVRYLCS-VIFPVBQESA-N 1 0 269.414 2.184 10 0 CEAERO CN(CC[N@H+](C)CCO)Cc1csc2ccccc12 ZINC000623091590 349935504 /nfs/dbraw/zinc/93/55/04/349935504.db2.gz JIJYIBGASGSFHE-UHFFFAOYSA-N 1 0 278.421 2.257 10 0 CEAERO CC[C@H](C)n1ccc(C[C@@H](COC(C)C)[NH2+]C)n1 ZINC000097224654 185567335 /nfs/dbraw/zinc/56/73/35/185567335.db2.gz LILWXAODXUZJJU-JSGCOSHPSA-N 1 0 253.390 2.410 10 0 CEAERO CC[NH2+][C@@H](Cc1cc(C)nn1CC)c1cc(C)nn1C ZINC000097281370 185578963 /nfs/dbraw/zinc/57/89/63/185578963.db2.gz MXLIPLSKFUCEBC-AWEZNQCLSA-N 1 0 275.400 2.147 10 0 CEAERO CC(C)n1ncnc1C[C@@H]([NH3+])c1cccc2nccnc21 ZINC000097277335 185576673 /nfs/dbraw/zinc/57/66/73/185576673.db2.gz WZHBJKKWCPYSGU-GFCCVEGCSA-N 1 0 282.351 2.045 10 0 CEAERO CCC[NH2+][C@@H](CCc1ccccn1)Cc1ncnn1CC ZINC000097280112 185577423 /nfs/dbraw/zinc/57/74/23/185577423.db2.gz NCUBXZSXLLXGSL-HNNXBMFYSA-N 1 0 287.411 2.237 10 0 CEAERO CCn1nc(C)cc1C[C@@H]([NH2+]C)c1cc(C)nnc1C ZINC000097281419 185578918 /nfs/dbraw/zinc/57/89/18/185578918.db2.gz KCXQYXGKLMXWIY-OAHLLOKOSA-N 1 0 273.384 2.121 10 0 CEAERO C[NH2+][C@H](Cc1nc2ccccc2n1C)C[C@H](C)COC ZINC000097303514 185581558 /nfs/dbraw/zinc/58/15/58/185581558.db2.gz IMKBZRVXNLEBBW-STQMWFEESA-N 1 0 275.396 2.376 10 0 CEAERO CCC[NH2+][C@@H](CCOC1C[C@H](C)C[C@H](C)C1)C(N)=O ZINC000084962916 178934691 /nfs/dbraw/zinc/93/46/91/178934691.db2.gz GNRMNCYPHQOYCN-PIGZVRMJSA-N 1 0 270.417 2.071 10 0 CEAERO CC[NH2+][C@](C)(CCOC1C[C@H](C)C[C@H](C)C1)C(N)=O ZINC000084963102 178935490 /nfs/dbraw/zinc/93/54/90/178935490.db2.gz XAGNATNKBRZFGI-RLCAUIQDSA-N 1 0 270.417 2.071 10 0 CEAERO CCOC(=O)c1cccnc1NCC[C@@H]([NH3+])C(C)C ZINC000596030277 345926085 /nfs/dbraw/zinc/92/60/85/345926085.db2.gz RGIKREXUWRAAPP-GFCCVEGCSA-N 1 0 265.357 2.044 10 0 CEAERO CC[NH2+][C@@H](Cc1ccco1)Cc1c(C)nn(C)c1C ZINC000097385370 185596397 /nfs/dbraw/zinc/59/63/97/185596397.db2.gz IFKJLBVTBDRHNQ-ZDUSSCGKSA-N 1 0 261.369 2.393 10 0 CEAERO CCC[NH2+]C[C@@H](O)Cc1ccc(Br)cc1 ZINC000084993050 178941190 /nfs/dbraw/zinc/94/11/90/178941190.db2.gz ZAYWSGLKYARWSS-LBPRGKRZSA-N 1 0 272.186 2.352 10 0 CEAERO C[C@@](O)(CC[NH3+])Cc1cc(Br)cs1 ZINC000084997173 178941697 /nfs/dbraw/zinc/94/16/97/178941697.db2.gz PTNRATXETWZKON-SECBINFHSA-N 1 0 264.188 2.153 10 0 CEAERO CCc1nnc(C)cc1[C@@H]([NH2+]C)[C@H](C)CCOC ZINC000097425565 185601282 /nfs/dbraw/zinc/60/12/82/185601282.db2.gz XJFPKJDZJGOQRI-YGRLFVJLSA-N 1 0 251.374 2.281 10 0 CEAERO Cc1cc(C(=O)NC[C@H](C)CC[NH3+])c2ccccc2n1 ZINC000097440799 185605280 /nfs/dbraw/zinc/60/52/80/185605280.db2.gz IHTWGXDKNFBDRY-LLVKDONJSA-N 1 0 271.364 2.258 10 0 CEAERO CCC[NH2+][C@H](c1c(OC)cnn1C)c1cccnc1C ZINC000097448912 185607456 /nfs/dbraw/zinc/60/74/56/185607456.db2.gz VHZWRLHRNLEWCY-AWEZNQCLSA-N 1 0 274.368 2.221 10 0 CEAERO C[C@@H](CC[NH3+])CNC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000097440728 185605118 /nfs/dbraw/zinc/60/51/18/185605118.db2.gz ADTMCBHPHYKPKQ-JTQLQIEISA-N 1 0 288.313 2.349 10 0 CEAERO CCC(CC)n1ccc(CN2[C@H](C)C[NH2+]C[C@@H]2C)n1 ZINC000085180956 178964709 /nfs/dbraw/zinc/96/47/09/178964709.db2.gz PSAJHOPTYJJBFM-BETUJISGSA-N 1 0 264.417 2.426 10 0 CEAERO CCC[NH2+][C@H](CO)CN(CC)c1ccccc1F ZINC000085214003 178978117 /nfs/dbraw/zinc/97/81/17/178978117.db2.gz AXSQONKSZAPRFI-LBPRGKRZSA-N 1 0 254.349 2.013 10 0 CEAERO O=C(NC(C1CC1)C1CC1)N1CCC[C@@H]1Cn1ccnc1 ZINC000177378319 232352916 /nfs/dbraw/zinc/35/29/16/232352916.db2.gz YVRKFGBLNIHBKF-CQSZACIVSA-N 1 0 288.395 2.246 10 0 CEAERO CC[NH2+][C@@H](C)C1CCN(c2ncccc2F)CC1 ZINC000094618574 136514160 /nfs/dbraw/zinc/51/41/60/136514160.db2.gz WLYGZXXODQGPMA-NSHDSACASA-N 1 0 251.349 2.435 10 0 CEAERO CC[NH+](CC)C(C)(C)[C@H](Cc1cccc(C)c1)NN ZINC000097580749 185629640 /nfs/dbraw/zinc/62/96/40/185629640.db2.gz XZVKCGSFBHJZBZ-HNNXBMFYSA-N 1 0 263.429 2.490 10 0 CEAERO CCn1nc(C)cc1C[C@@H](NN)[C@@](C)(CC)[NH+](CC)CC ZINC000097583554 185630574 /nfs/dbraw/zinc/63/05/74/185630574.db2.gz MTBHUHITZKQOAY-HZPDHXFCSA-N 1 0 295.475 2.096 10 0 CEAERO CC[NH+](CC)C1([C@H](NN)c2ccncc2F)CCCC1 ZINC000097588039 185633639 /nfs/dbraw/zinc/63/36/39/185633639.db2.gz HVHAADSKHBARRG-CQSZACIVSA-N 1 0 280.391 2.380 10 0 CEAERO CC[NH2+][C@](C)(CO)CCOc1c(C)cccc1C ZINC000085283222 179000724 /nfs/dbraw/zinc/00/07/24/179000724.db2.gz GXCBTSBSMBJNIK-HNNXBMFYSA-N 1 0 251.370 2.433 10 0 CEAERO CCC[NH2+][C@@](C)(CO)CCCOCC(F)(F)F ZINC000085282795 179000891 /nfs/dbraw/zinc/00/08/91/179000891.db2.gz MUPIVXGJHDNTSI-SNVBAGLBSA-N 1 0 257.296 2.096 10 0 CEAERO CCC[NH2+][C@](C)(CO)C[C@@H](C)OCC(F)(F)F ZINC000085282821 179000953 /nfs/dbraw/zinc/00/09/53/179000953.db2.gz XMTVSKOFSAKLEX-ZJUUUORDSA-N 1 0 257.296 2.095 10 0 CEAERO C[NH2+][C@@](C)(CO)CCCOc1ccc(C)cc1C ZINC000085283481 179001714 /nfs/dbraw/zinc/00/17/14/179001714.db2.gz KQDNCXMCSWDBRH-OAHLLOKOSA-N 1 0 251.370 2.433 10 0 CEAERO C[C@H](C[C@](C)(CO)[NH2+]C1CC1)Oc1ccccc1F ZINC000085284449 179001898 /nfs/dbraw/zinc/00/18/98/179001898.db2.gz IJFOBSZKVCGLLD-IAQYHMDHSA-N 1 0 267.344 2.486 10 0 CEAERO CC[NH2+][C@@H](CO)COc1cc(C)ccc1C(C)C ZINC000085284184 179002398 /nfs/dbraw/zinc/00/23/98/179002398.db2.gz MMJGCIABFDRDOI-ZDUSSCGKSA-N 1 0 251.370 2.468 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)CCn1cnc2ccccc21 ZINC000085263582 178993925 /nfs/dbraw/zinc/99/39/25/178993925.db2.gz QEOSLKCPQHCAAT-OAHLLOKOSA-N 1 0 261.369 2.175 10 0 CEAERO C[C@H](C[C@@](C)(CO)[NH2+]C1CC1)Oc1ccc(F)cc1 ZINC000085285147 179002787 /nfs/dbraw/zinc/00/27/87/179002787.db2.gz WRKSJYMNOSAIPL-ABAIWWIYSA-N 1 0 267.344 2.486 10 0 CEAERO C[NH2+][C@](C)(CO)CCCOCCCc1ccccc1 ZINC000085266443 178996658 /nfs/dbraw/zinc/99/66/58/178996658.db2.gz OPZGVMZEKICSHM-INIZCTEOSA-N 1 0 265.397 2.386 10 0 CEAERO C[C@@H]1CCC[C@@H](OC[C@@]([NH3+])(CO)c2ccccc2)C1 ZINC000085267606 178997475 /nfs/dbraw/zinc/99/74/75/178997475.db2.gz MQMSGCXQOSHIEA-BMFZPTHFSA-N 1 0 263.381 2.428 10 0 CEAERO C[NH2+][C@@](C)(CO)CCO[C@@H]1CCCc2ccccc21 ZINC000085269753 178997944 /nfs/dbraw/zinc/99/79/44/178997944.db2.gz CFCFXTDIXHQPIV-HZPDHXFCSA-N 1 0 263.381 2.441 10 0 CEAERO COc1ccccc1OCC[C@@](C)(CO)[NH2+]C(C)C ZINC000085285375 179003356 /nfs/dbraw/zinc/00/33/56/179003356.db2.gz NRLPQYXKYVLINO-HNNXBMFYSA-N 1 0 267.369 2.213 10 0 CEAERO CCC[NH2+][C@@H](CO)COc1ccc(OCCC)cc1 ZINC000085286162 179004188 /nfs/dbraw/zinc/00/41/88/179004188.db2.gz MMZRUGMRDYAGSO-ZDUSSCGKSA-N 1 0 267.369 2.215 10 0 CEAERO Cc1cc(S[C@H](C)C[C@@](C)(CO)[NH2+]C(C)C)n(C)n1 ZINC000085289490 179006205 /nfs/dbraw/zinc/00/62/05/179006205.db2.gz KAMSDRYGJAYVIY-OCCSQVGLSA-N 1 0 285.457 2.348 10 0 CEAERO COc1ccc(SC[C@@H](CO)[NH2+]C(C)C)cc1 ZINC000085291856 179007280 /nfs/dbraw/zinc/00/72/80/179007280.db2.gz HSXKFXOQNGULCZ-LLVKDONJSA-N 1 0 255.383 2.146 10 0 CEAERO C[NH2+][C@](C)(CO)CCCSc1nc2ccccc2[nH]1 ZINC000085291674 179007441 /nfs/dbraw/zinc/00/74/41/179007441.db2.gz URKZXVOZLHBRGO-AWEZNQCLSA-N 1 0 279.409 2.406 10 0 CEAERO CCC[NH2+][C@](C)(CO)C[C@H](C)Sc1nncs1 ZINC000085292515 179008006 /nfs/dbraw/zinc/00/80/06/179008006.db2.gz MBQYUUMKQXUPSV-ONGXEEELSA-N 1 0 275.443 2.159 10 0 CEAERO [NH3+][C@](CO)(CSc1cc(F)ccc1F)C1CC1 ZINC000085293078 179008533 /nfs/dbraw/zinc/00/85/33/179008533.db2.gz LCYAZTUPRMCGKB-GFCCVEGCSA-N 1 0 259.321 2.157 10 0 CEAERO Cc1ccc(OC[C@@](C)(CO)[NH2+]C(C)C)cc1C ZINC000085284678 179002918 /nfs/dbraw/zinc/00/29/18/179002918.db2.gz WMHCVXZLVOGECG-OAHLLOKOSA-N 1 0 251.370 2.431 10 0 CEAERO [NH3+]C[C@](O)(COc1ccc2c(c1)CCCC2)C1CC1 ZINC000085305471 179012084 /nfs/dbraw/zinc/01/20/84/179012084.db2.gz GZJVCUUPDNTGNU-INIZCTEOSA-N 1 0 261.365 2.044 10 0 CEAERO COc1cc(C)ccc1OCCCC[C@@](C)(O)C[NH3+] ZINC000085307325 179012413 /nfs/dbraw/zinc/01/24/13/179012413.db2.gz XMDNQWGSFNQERO-OAHLLOKOSA-N 1 0 267.369 2.262 10 0 CEAERO C[C@@H](C[NH3+])SCC(=O)Nc1ccccc1Cl ZINC000085307082 179012469 /nfs/dbraw/zinc/01/24/69/179012469.db2.gz HSALQPSKTLNQQB-QMMMGPOBSA-N 1 0 258.774 2.359 10 0 CEAERO [NH3+]C[C@](O)(COc1ccccc1C(F)(F)F)C1CC1 ZINC000085306371 179012747 /nfs/dbraw/zinc/01/27/47/179012747.db2.gz RSPFOTGQOZHZMU-LBPRGKRZSA-N 1 0 275.270 2.184 10 0 CEAERO Cc1ccc2[nH]c(SCCC[C@](C)(O)C[NH3+])nc2c1 ZINC000085307933 179013176 /nfs/dbraw/zinc/01/31/76/179013176.db2.gz QEESCLOWVBOGBS-AWEZNQCLSA-N 1 0 279.409 2.453 10 0 CEAERO C[C@H](C[NH3+])SCc1nnc(-c2cccs2)o1 ZINC000085308031 179013223 /nfs/dbraw/zinc/01/32/23/179013223.db2.gz VVISIZWTLUUUTB-SSDOTTSWSA-N 1 0 255.368 2.379 10 0 CEAERO CC(=O)Nc1nc(CSCC[C@H](C)[NH3+])cs1 ZINC000085317528 179013967 /nfs/dbraw/zinc/01/39/67/179013967.db2.gz XLCMKQRNJRKYET-ZETCQYMHSA-N 1 0 259.400 2.072 10 0 CEAERO CC1(C)Cc2cc([C@@H](O)[C@H]3CCC[NH2+]C3)ccc2O1 ZINC000085320740 179014387 /nfs/dbraw/zinc/01/43/87/179014387.db2.gz YGCYQEVAHSBAIJ-SWLSCSKDSA-N 1 0 261.365 2.433 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1c1nc2ccccc2n1CCO ZINC000085321812 179015391 /nfs/dbraw/zinc/01/53/91/179015391.db2.gz PGXBMDPRCHWSGK-NWDGAFQWSA-N 1 0 259.353 2.014 10 0 CEAERO CC(C)N(CCCC[C@@](C)(O)C[NH3+])CC(F)(F)F ZINC000085300602 179010339 /nfs/dbraw/zinc/01/03/39/179010339.db2.gz XCUAQXRUTYPAJA-LLVKDONJSA-N 1 0 270.339 2.139 10 0 CEAERO C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H](O)COC(C)(C)C ZINC000060845990 362670086 /nfs/dbraw/zinc/67/00/86/362670086.db2.gz HDNWZQAPZNUHHK-CYBMUJFWSA-N 1 0 295.379 2.023 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)Nc1cccc2ncccc21 ZINC000085355855 179030390 /nfs/dbraw/zinc/03/03/90/179030390.db2.gz TVGDJYGVMCUGOI-PWSUYJOCSA-N 1 0 255.321 2.301 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000085356213 179030420 /nfs/dbraw/zinc/03/04/20/179030420.db2.gz IYIAPTSYNQVMCQ-UWVGGRQHSA-N 1 0 298.289 2.464 10 0 CEAERO Cc1ccc(CN(C)C(=O)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000085357655 179030738 /nfs/dbraw/zinc/03/07/38/179030738.db2.gz UTROJMSDGCBBNE-HUUCEWRRSA-N 1 0 260.381 2.471 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)Nc1ccc(OC(F)F)cc1 ZINC000085358125 179031506 /nfs/dbraw/zinc/03/15/06/179031506.db2.gz FFLREFXMGZSEQI-QWRGUYRKSA-N 1 0 270.279 2.354 10 0 CEAERO CN(C)c1c(Cl)cccc1NC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085359614 179032057 /nfs/dbraw/zinc/03/20/57/179032057.db2.gz NUDQOPGEMSRELY-ONGXEEELSA-N 1 0 281.787 2.472 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])c1ccc(F)cc1F ZINC000085360609 179033018 /nfs/dbraw/zinc/03/30/18/179033018.db2.gz DWEGURPVBBPXER-KDDOJWQBSA-N 1 0 268.307 2.269 10 0 CEAERO c1ccc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)cc1 ZINC000105802007 136528208 /nfs/dbraw/zinc/52/82/08/136528208.db2.gz PDHBGPSCBWKSCV-HNNXBMFYSA-N 1 0 268.364 2.235 10 0 CEAERO COc1ccc(OC)c(NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000085356068 179030135 /nfs/dbraw/zinc/03/01/35/179030135.db2.gz UDXNQIZBVBHJHI-NEPJUHHUSA-N 1 0 278.352 2.160 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000085365819 179036720 /nfs/dbraw/zinc/03/67/20/179036720.db2.gz GJRBGYCRLGGQJN-WPRPVWTQSA-N 1 0 288.269 2.493 10 0 CEAERO CCc1nc2cc(NC(=O)[C@@H]3CCC[C@H]3[NH3+])ccc2o1 ZINC000085366302 179037117 /nfs/dbraw/zinc/03/71/17/179037117.db2.gz IYXDLMOPBUPGFT-GHMZBOCLSA-N 1 0 273.336 2.456 10 0 CEAERO CCOc1ccc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])c(C)c1 ZINC000085366170 179037190 /nfs/dbraw/zinc/03/71/90/179037190.db2.gz NVAURSHGMORXQY-STQMWFEESA-N 1 0 262.353 2.460 10 0 CEAERO Cc1ccc(OCCN(C)C(=O)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000085367372 179037727 /nfs/dbraw/zinc/03/77/27/179037727.db2.gz YWZLZEKCVQROFS-HOTGVXAUSA-N 1 0 290.407 2.350 10 0 CEAERO C[C@@H](c1ccccc1F)N(C)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085368076 179038140 /nfs/dbraw/zinc/03/81/40/179038140.db2.gz MHIICCAMXGSNES-JKOKRWQUSA-N 1 0 264.344 2.473 10 0 CEAERO CN(CCCOc1ccccc1)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085368344 179038280 /nfs/dbraw/zinc/03/82/80/179038280.db2.gz MXMOGIGXMYJQPJ-HZPDHXFCSA-N 1 0 290.407 2.431 10 0 CEAERO C[C@@H](NC(=O)[C@H]1CCC[C@@H]1[NH3+])c1cccc(F)c1 ZINC000085370959 179041177 /nfs/dbraw/zinc/04/11/77/179041177.db2.gz XMKVAGOLHABMEJ-ICCXJUOJSA-N 1 0 250.317 2.130 10 0 CEAERO Cc1nc2cc(NC(=O)[C@@H]3CCC[C@H]3[NH3+])ccc2o1 ZINC000085371294 179041231 /nfs/dbraw/zinc/04/12/31/179041231.db2.gz ZRMLGLDJNNQBKN-GHMZBOCLSA-N 1 0 259.309 2.202 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)NCc1ccc(OC(F)F)cc1 ZINC000085370898 179041263 /nfs/dbraw/zinc/04/12/63/179041263.db2.gz VIGCSZFBRBVNOD-CHWSQXEVSA-N 1 0 298.333 2.422 10 0 CEAERO C[C@H](NC(=O)[C@H]1CCC[C@@H]1[NH3+])c1cccc(F)c1 ZINC000085370958 179041296 /nfs/dbraw/zinc/04/12/96/179041296.db2.gz XMKVAGOLHABMEJ-XDTLVQLUSA-N 1 0 250.317 2.130 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)Nc1cc(F)cc(F)c1F ZINC000085374327 179043356 /nfs/dbraw/zinc/04/33/56/179043356.db2.gz SDZXZLNUODJZGJ-IONNQARKSA-N 1 0 258.243 2.170 10 0 CEAERO [NH3+]C[C@@H](C(=O)OCc1ccccc1)c1ccccc1 ZINC000061609860 362683598 /nfs/dbraw/zinc/68/35/98/362683598.db2.gz BLOYETQUKLPQOU-OAHLLOKOSA-N 1 0 255.317 2.472 10 0 CEAERO COC(=O)Nc1cccc(NC(=O)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000085365799 179036352 /nfs/dbraw/zinc/03/63/52/179036352.db2.gz DJAMPOFXPAIMCL-QWHCGFSZSA-N 1 0 291.351 2.321 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)Nc1cccc(N2CCCC2)c1 ZINC000085365726 179036403 /nfs/dbraw/zinc/03/64/03/179036403.db2.gz GSMCWLOXBYRQPE-CABCVRRESA-N 1 0 273.380 2.353 10 0 CEAERO COC(=O)CCC[NH2+][C@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000085400618 179051773 /nfs/dbraw/zinc/05/17/73/179051773.db2.gz RMIFJCQGJCUCJF-QWHCGFSZSA-N 1 0 271.401 2.369 10 0 CEAERO Cc1ccc(F)cc1C[C@](C)(O)[C@@H]1CCC[NH2+]C1 ZINC000097850991 185672988 /nfs/dbraw/zinc/67/29/88/185672988.db2.gz ICHRVGGYHLAQLE-HIFRSBDPSA-N 1 0 251.345 2.427 10 0 CEAERO Fc1ccc(F)c(CN2CC[NH2+][C@H](C3CC3)C2)c1 ZINC000085434825 179061279 /nfs/dbraw/zinc/06/12/79/179061279.db2.gz XLPOYRHFPIDLPD-AWEZNQCLSA-N 1 0 252.308 2.149 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)C(=O)N(C)C ZINC000085133188 539540849 /nfs/dbraw/zinc/54/08/49/539540849.db2.gz HIFRFMUYHSYPTR-LPEHRKFASA-N 1 0 266.307 2.174 10 0 CEAERO CCC[C@@H]1CN([C@@H]2CCOC2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085466439 179071531 /nfs/dbraw/zinc/07/15/31/179071531.db2.gz LKCJMZWGSKZLDA-RBSFLKMASA-N 1 0 252.402 2.018 10 0 CEAERO OC[C@@H]1C[C@H]([NH2+]Cc2c(Cl)cccc2Cl)C[C@H]1O ZINC000085468344 179073185 /nfs/dbraw/zinc/07/31/85/179073185.db2.gz FMNATSANXKTXJT-MWODSPESSA-N 1 0 290.190 2.215 10 0 CEAERO COc1ccc(CN2C[C@@H](C)[NH2+]CC2(C)C)cc1F ZINC000085454042 179066809 /nfs/dbraw/zinc/06/68/09/179066809.db2.gz SGKMNRZYRMTDTP-LLVKDONJSA-N 1 0 266.360 2.407 10 0 CEAERO C([C@@H]1CCCO1)[N@@H+]1CCNC[C@@H]1C1CCCCC1 ZINC000085452959 179066927 /nfs/dbraw/zinc/06/69/27/179066927.db2.gz OVHVPJARGSSXHJ-LSDHHAIUSA-N 1 0 252.402 2.020 10 0 CEAERO C[C@@H]1CN(Cc2ccn(C3CCCC3)n2)[C@@H](C)C[NH2+]1 ZINC000085453211 179067362 /nfs/dbraw/zinc/06/73/62/179067362.db2.gz ULYHSDCZYSWWIV-OLZOCXBDSA-N 1 0 262.401 2.180 10 0 CEAERO CCC[C@@H]1CN([C@@H]2CCOC2)[C@H](C(C)(C)C)C[NH2+]1 ZINC000085455380 179068108 /nfs/dbraw/zinc/06/81/08/179068108.db2.gz ZMILXUSXCLHWJN-MCIONIFRSA-N 1 0 254.418 2.264 10 0 CEAERO CCC[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1[C@@H]1CCOC1 ZINC000085475738 179078392 /nfs/dbraw/zinc/07/83/92/179078392.db2.gz VFBVEVNLZYRNSM-MCIONIFRSA-N 1 0 254.418 2.264 10 0 CEAERO CC[C@]1(C)C[N@H+](C[C@@H]2CCOC2)[C@H](C(C)C)CN1 ZINC000085495429 179082195 /nfs/dbraw/zinc/08/21/95/179082195.db2.gz JCMQVPZIIMNFRO-SOUVJXGZSA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@H]1CN(CCn2cccn2)C(CC)(CC)C[NH2+]1 ZINC000085474671 179078966 /nfs/dbraw/zinc/07/89/66/179078966.db2.gz LSCRPNSOBVQRNT-AWEZNQCLSA-N 1 0 264.417 2.126 10 0 CEAERO CC[C@@H]1CN(Cc2ccncc2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085475153 179079154 /nfs/dbraw/zinc/07/91/54/179079154.db2.gz VHKMHIJKLSCTHH-HZPDHXFCSA-N 1 0 259.397 2.434 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1CNc1ncncc1Br ZINC000085480859 179080187 /nfs/dbraw/zinc/08/01/87/179080187.db2.gz FMGLDZZQRPXGHO-RKDXNWHRSA-N 1 0 285.189 2.026 10 0 CEAERO CC(C)(C)[C@H]1CNC(C)(C)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085470870 179076225 /nfs/dbraw/zinc/07/62/25/179076225.db2.gz PHUZIWDONWWZEK-QWHCGFSZSA-N 1 0 254.418 2.121 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)N1CCCc2ccccc2C1 ZINC000062945979 362736434 /nfs/dbraw/zinc/73/64/34/362736434.db2.gz IPJNWDDOFWDXAF-CQSZACIVSA-N 1 0 272.392 2.351 10 0 CEAERO CCC[C@@H]1CN[C@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085511814 179085836 /nfs/dbraw/zinc/08/58/36/179085836.db2.gz XPYBQEBGZODJSE-IMJJTQAJSA-N 1 0 266.429 2.266 10 0 CEAERO C[C@H]1C[NH2+][C@@](C)(C2CC2)CN1CCOCC(F)(F)F ZINC000085508927 179085845 /nfs/dbraw/zinc/08/58/45/179085845.db2.gz LKGPGXUEPJHHEG-CMPLNLGQSA-N 1 0 280.334 2.028 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1[C@@H]1CCOC1 ZINC000085511545 179086002 /nfs/dbraw/zinc/08/60/02/179086002.db2.gz BUQMGDIVOYKZHR-RBSFLKMASA-N 1 0 252.402 2.018 10 0 CEAERO CCn1cc(CN2C[C@](C)(C3CC3)[NH2+]CC2(C)C)cn1 ZINC000085514631 179086331 /nfs/dbraw/zinc/08/63/31/179086331.db2.gz ORXTZPJPNVDHGN-MRXNPFEDSA-N 1 0 276.428 2.256 10 0 CEAERO CCC[C@H]1C[NH2+][C@H](C2CC2)CN1Cc1cccnc1 ZINC000085523876 179088649 /nfs/dbraw/zinc/08/86/49/179088649.db2.gz DUUKBEQOJIVLCM-HOTGVXAUSA-N 1 0 259.397 2.434 10 0 CEAERO COc1cccc(CN2C[C@@](C)(C3CC3)[NH2+]CC2(C)C)n1 ZINC000085514584 179086955 /nfs/dbraw/zinc/08/69/55/179086955.db2.gz XTGFKHAFNUWEOT-KRWDZBQOSA-N 1 0 289.423 2.443 10 0 CEAERO CCC1(CC)CN(CCOCC(F)(F)F)[C@H](C)C[NH2+]1 ZINC000085516701 179087503 /nfs/dbraw/zinc/08/75/03/179087503.db2.gz OTUMMLWVLSTTCL-LLVKDONJSA-N 1 0 282.350 2.418 10 0 CEAERO CC[C@@H]1CNC(CC)(CC)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085517504 179087861 /nfs/dbraw/zinc/08/78/61/179087861.db2.gz YYQXWRHDBIRVJN-UONOGXRCSA-N 1 0 254.418 2.266 10 0 CEAERO CCC1(CC)CN([C@@H]2CCOC2)[C@H](C2CC2)C[NH2+]1 ZINC000085519152 179087999 /nfs/dbraw/zinc/08/79/99/179087999.db2.gz HMBZIZLNLCAMBQ-KGLIPLIRSA-N 1 0 252.402 2.018 10 0 CEAERO CCn1cc(CN2CC3(CCCC3)[NH2+]C[C@@H]2C)cn1 ZINC000085497594 179083442 /nfs/dbraw/zinc/08/34/42/179083442.db2.gz LHWYCPMREFHNHP-ZDUSSCGKSA-N 1 0 262.401 2.010 10 0 CEAERO C([C@@H]1CCCO1)[N@@H+]1CC2(CCCC2)NC[C@@H]1C1CC1 ZINC000085498272 179083556 /nfs/dbraw/zinc/08/35/56/179083556.db2.gz WVOAXIHCZGVWMO-LSDHHAIUSA-N 1 0 264.413 2.162 10 0 CEAERO CC[C@]1(C)C[N@H+](CC2CCOCC2)C(C)(C)CN1 ZINC000085496494 179083854 /nfs/dbraw/zinc/08/38/54/179083854.db2.gz RWKOIDRMILPFTC-OAHLLOKOSA-N 1 0 254.418 2.266 10 0 CEAERO CCC[C@@H]1CN[C@H](C2CC2)C[N@@H+]1CC1CCOCC1 ZINC000085523782 179088719 /nfs/dbraw/zinc/08/87/19/179088719.db2.gz CBVZWGYSRIAPOR-CVEARBPZSA-N 1 0 266.429 2.266 10 0 CEAERO CCOCCN1CC2(CCCCC2)[NH2+]CC1(C)C ZINC000085503391 179084614 /nfs/dbraw/zinc/08/46/14/179084614.db2.gz KTXRQWVEMUPXOL-UHFFFAOYSA-N 1 0 254.418 2.410 10 0 CEAERO CC(C)(C)[C@@H]1CN[C@H](C2CC2)C[N@@H+]1CCCn1ccnc1 ZINC000085526610 179089169 /nfs/dbraw/zinc/08/91/69/179089169.db2.gz FQORMZHUXFMCPW-HOTGVXAUSA-N 1 0 290.455 2.372 10 0 CEAERO CC[C@]1(C)C[NH2+][C@H](C2CC2)CN1Cc1cccnc1 ZINC000085528694 179090999 /nfs/dbraw/zinc/09/09/99/179090999.db2.gz PPJWRTVCEGLJRO-JKSUJKDBSA-N 1 0 259.397 2.434 10 0 CEAERO CCOCC[N@@H+]1C[C@H](C2CC2)NCC1(CC)CC ZINC000085528749 179091089 /nfs/dbraw/zinc/09/10/89/179091089.db2.gz VATXCMXSVNJOLR-CQSZACIVSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@@H](C2CC2)CN1Cc1ccncc1 ZINC000085528684 179091143 /nfs/dbraw/zinc/09/11/43/179091143.db2.gz JOFQRRXHMXAMFU-CVEARBPZSA-N 1 0 259.397 2.434 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C2CCCCC2)CN1CCOCCOC ZINC000085529925 179091343 /nfs/dbraw/zinc/09/13/43/179091343.db2.gz NSLAFDKIFZTKIZ-IRXDYDNUSA-N 1 0 298.471 2.282 10 0 CEAERO C[C@@]1(C2CC2)C[NH2+][C@H](C2CC2)CN1Cc1cccnc1 ZINC000085529505 179091560 /nfs/dbraw/zinc/09/15/60/179091560.db2.gz CUHPGAOXYMQVTE-IRXDYDNUSA-N 1 0 271.408 2.434 10 0 CEAERO Cc1nccn1CCN1C[C@H](C2CC2)[NH2+]C[C@@]1(C)C1CC1 ZINC000085529400 179091952 /nfs/dbraw/zinc/09/19/52/179091952.db2.gz QDWNIWPZFLYPTC-SJORKVTESA-N 1 0 288.439 2.044 10 0 CEAERO c1nc2c(n1-c1ccc(N3CCCC3)cc1)CC[NH2+]C2 ZINC000085567390 179095265 /nfs/dbraw/zinc/09/52/65/179095265.db2.gz GONXNQTURMOEPC-UHFFFAOYSA-N 1 0 268.364 2.118 10 0 CEAERO Cc1nc2c(n1CCc1cccc(C)c1)CC[NH2+]C2 ZINC000085570602 179096492 /nfs/dbraw/zinc/09/64/92/179096492.db2.gz FXZREBHYJNMVPA-UHFFFAOYSA-N 1 0 255.365 2.388 10 0 CEAERO CCCCCNC(=O)[C@H](C)[NH2+][C@@H](CO)c1ccccc1 ZINC000063002750 362741293 /nfs/dbraw/zinc/74/12/93/362741293.db2.gz HWLANVKXKZNXNO-ZFWWWQNUSA-N 1 0 278.396 2.005 10 0 CEAERO C[C@@](O)(C[NH2+][C@H](CO)c1ccccc1)c1ccccc1 ZINC000063002184 362741549 /nfs/dbraw/zinc/74/15/49/362741549.db2.gz NNWBEWCINRQOQL-IAGOWNOFSA-N 1 0 271.360 2.217 10 0 CEAERO [NH3+]C[C@@H]1CCCN(Cc2cnc(C(F)(F)F)s2)C1 ZINC000261966897 232527585 /nfs/dbraw/zinc/52/75/85/232527585.db2.gz PXRNWJBKTMMFTB-QMMMGPOBSA-N 1 0 279.331 2.333 10 0 CEAERO COC(=O)CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000599397969 346513839 /nfs/dbraw/zinc/51/38/39/346513839.db2.gz WJDSTWFMRUAXAC-RRFJBIMHSA-N 1 0 283.412 2.345 10 0 CEAERO COCC[C@@H](C)n1c2c(nc1C(C)(C)C)C[NH2+]CC2 ZINC000085575253 179099785 /nfs/dbraw/zinc/09/97/85/179099785.db2.gz IJGMJSWXPCFJRJ-LLVKDONJSA-N 1 0 265.401 2.424 10 0 CEAERO c1ccc(C[C@H]2C[N@H+](CC3CCOCC3)CCCN2)cc1 ZINC000085608790 179100920 /nfs/dbraw/zinc/10/09/20/179100920.db2.gz UKQNCSQOMPESKX-SFHVURJKSA-N 1 0 288.435 2.320 10 0 CEAERO CC[C@@H](C)c1ccc(S(=O)(=O)NCC[C@@H](C)[NH3+])cc1 ZINC000063171300 362754081 /nfs/dbraw/zinc/75/40/81/362754081.db2.gz CPSBFFSUCANQPG-VXGBXAGGSA-N 1 0 284.425 2.216 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1Nc1ncccc1Br ZINC000063176695 362754543 /nfs/dbraw/zinc/75/45/43/362754543.db2.gz DYLMPOHPYMCQHE-DTWKUNHWSA-N 1 0 256.147 2.136 10 0 CEAERO CCC[C@@H]1CN(Cc2cn3ccccc3n2)CCC[NH2+]1 ZINC000085612386 179102485 /nfs/dbraw/zinc/10/24/85/179102485.db2.gz SGGAEYMZDQVVGP-CQSZACIVSA-N 1 0 272.396 2.298 10 0 CEAERO CCCCOC[C@H](O)C[N@@H+]1CCC[C@H](CSC)C1 ZINC000336795463 365818208 /nfs/dbraw/zinc/81/82/08/365818208.db2.gz KTTSLKGSPNPFKG-UONOGXRCSA-N 1 0 275.458 2.239 10 0 CEAERO C[C@@H]1CC[NH2+][C@](C)(C2CC2)CN1CCOCC(F)(F)F ZINC000085623549 179105273 /nfs/dbraw/zinc/10/52/73/179105273.db2.gz HPAURNDOPBTQNW-YPMHNXCESA-N 1 0 294.361 2.418 10 0 CEAERO C[C@@H]1CCN[C@@](C)(C2CC2)C[N@@H+]1CCCn1ccnc1 ZINC000085623472 179105319 /nfs/dbraw/zinc/10/53/19/179105319.db2.gz FPAGZJLCKZCJSK-GDBMZVCRSA-N 1 0 276.428 2.126 10 0 CEAERO CC(C)CCOCC[NH2+][C@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000085637369 179110043 /nfs/dbraw/zinc/11/00/43/179110043.db2.gz VBIBFYZZNGKNBE-RDBSUJKOSA-N 1 0 255.402 2.452 10 0 CEAERO CC(C)C[C@H]([NH2+][C@H]1[C@@H]2CCCO[C@@H]2C1(C)C)C(=O)N(C)C ZINC000085672513 179111831 /nfs/dbraw/zinc/11/18/31/179111831.db2.gz YAJWNYYOJVXVGO-AJNGGQMLSA-N 1 0 296.455 2.283 10 0 CEAERO Cn1ncc2c1CCC[C@H]2[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085633776 179108477 /nfs/dbraw/zinc/10/84/77/179108477.db2.gz IYTXISYGPIDBEI-BTQDYEIMSA-N 1 0 275.396 2.201 10 0 CEAERO CC[NH2+]C[C@@H]1CCCCN1c1cccc(OCC)n1 ZINC000110546308 136556944 /nfs/dbraw/zinc/55/69/44/136556944.db2.gz PNTOKZCNNDJQAD-ZDUSSCGKSA-N 1 0 263.385 2.449 10 0 CEAERO C[C@H](CC[NH2+]C1CC1)N1CCN(C)c2ccccc21 ZINC000111463306 136561880 /nfs/dbraw/zinc/56/18/80/136561880.db2.gz UCLSAHBMOVINOC-CYBMUJFWSA-N 1 0 259.397 2.473 10 0 CEAERO CC[C@@](C)([C@H]([NH3+])Cc1ccccc1)N1CCOCC1 ZINC000085750018 179141987 /nfs/dbraw/zinc/14/19/87/179141987.db2.gz WTKNNLRUDVBGLK-CVEARBPZSA-N 1 0 262.397 2.057 10 0 CEAERO [NH3+]Cc1ccc(N2CCN(c3ccc(F)cc3)CC2)nc1 ZINC000019387648 136576993 /nfs/dbraw/zinc/57/69/93/136576993.db2.gz LMBDZGFNGTVGJB-UHFFFAOYSA-N 1 0 286.354 2.006 10 0 CEAERO C[NH+](C)CCCNc1nc(Cl)ncc1Br ZINC000085786912 179171157 /nfs/dbraw/zinc/17/11/57/179171157.db2.gz PZXZUJIAJPBEOW-UHFFFAOYSA-N 1 0 293.596 2.256 10 0 CEAERO [NH3+][C@@]1(C(=O)Nc2ccc(SC(F)F)cc2)CCOC1 ZINC000085870139 179192914 /nfs/dbraw/zinc/19/29/14/179192914.db2.gz HGKLPJVEAPJPBD-LBPRGKRZSA-N 1 0 288.319 2.058 10 0 CEAERO CCC(CC)[C@@H](NC(=O)[C@]1([NH3+])CCOC1)c1ccccc1 ZINC000085873766 179194006 /nfs/dbraw/zinc/19/40/06/179194006.db2.gz SHJZGLLPTXBROG-WBVHZDCISA-N 1 0 290.407 2.398 10 0 CEAERO CCCOc1ccc(Cl)cc1NC(=O)[C@]1([NH3+])CCOC1 ZINC000085874474 179194269 /nfs/dbraw/zinc/19/42/69/179194269.db2.gz LPDKSFKEEQWWQE-AWEZNQCLSA-N 1 0 298.770 2.185 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1CNC(=O)Cc1ccccc1F ZINC000085963758 179205514 /nfs/dbraw/zinc/20/55/14/179205514.db2.gz OTQCJRACGFODAB-TZMCWYRMSA-N 1 0 264.344 2.002 10 0 CEAERO CCC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)CCO1 ZINC000085963703 179205665 /nfs/dbraw/zinc/20/56/65/179205665.db2.gz YDBFOELSOGJALT-YJNKXOJESA-N 1 0 255.402 2.475 10 0 CEAERO Cc1cc(C(=O)NC[C@H]2CCCC[C@H]2[NH3+])c(C)o1 ZINC000085967059 179205822 /nfs/dbraw/zinc/20/58/22/179205822.db2.gz QUAPMIWBXRSARG-DGCLKSJQSA-N 1 0 250.342 2.144 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1CNC(=O)c1ccc(F)c(F)c1 ZINC000085966738 179206237 /nfs/dbraw/zinc/20/62/37/179206237.db2.gz NXTVKJXDHOACLK-GXFFZTMASA-N 1 0 268.307 2.212 10 0 CEAERO Cc1cc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)c(C)n1C ZINC000085972069 179207043 /nfs/dbraw/zinc/20/70/43/179207043.db2.gz MXAQJIFFHSIEFM-ZFWWWQNUSA-N 1 0 250.386 2.283 10 0 CEAERO CCOc1cc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)ccc1O ZINC000085972852 179207201 /nfs/dbraw/zinc/20/72/01/179207201.db2.gz NUMLBFCNCHHSPE-KBPBESRZSA-N 1 0 279.380 2.432 10 0 CEAERO CS(=O)(=O)c1ccc(NC[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000085973958 179207929 /nfs/dbraw/zinc/20/79/29/179207929.db2.gz IKOHRLVVNMQLDN-RISCZKNCSA-N 1 0 282.409 2.020 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1CNc1nccc(C(F)(F)F)n1 ZINC000085975033 179208073 /nfs/dbraw/zinc/20/80/73/179208073.db2.gz AWXJZMLBTVAUAW-IUCAKERBSA-N 1 0 274.290 2.425 10 0 CEAERO CC[NH2+][C@H](CCO)CN1CCC(CC)(CC)CC1 ZINC000085922924 179201473 /nfs/dbraw/zinc/20/14/73/179201473.db2.gz LXLUFQNKELWQCN-CQSZACIVSA-N 1 0 256.434 2.249 10 0 CEAERO C[C@H]1CN(Cc2[nH+]c(NN)ccc2Cl)C[C@@H]1C ZINC000086012117 179214519 /nfs/dbraw/zinc/21/45/19/179214519.db2.gz OFHQANUGDCXTFJ-IUCAKERBSA-N 1 0 254.765 2.108 10 0 CEAERO Cc1nc2ccccn2c1C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000085979846 179209544 /nfs/dbraw/zinc/20/95/44/179209544.db2.gz YTHDEVGXSNTSGU-UKRRQHHQSA-N 1 0 273.380 2.283 10 0 CEAERO O[C@@H](C[NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccc(F)cc1F ZINC000085985948 179211414 /nfs/dbraw/zinc/21/14/14/179211414.db2.gz CCLMQVZXSNTDEV-LKTVYLICSA-N 1 0 285.334 2.139 10 0 CEAERO CC(C)n1ccc(C[NH2+]C[C@H]2CCCC[C@H]2O)n1 ZINC000085985682 179211778 /nfs/dbraw/zinc/21/17/78/179211778.db2.gz FAVNQFLIWXLVLU-TZMCWYRMSA-N 1 0 251.374 2.105 10 0 CEAERO CCOC(=O)CCCCC[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000085987528 179212973 /nfs/dbraw/zinc/21/29/73/179212973.db2.gz OBRXORMSXAWDIL-KGLIPLIRSA-N 1 0 271.401 2.251 10 0 CEAERO C[NH2+][C@H]1CC[C@H](S(=O)(=O)C2CCCCC2)[C@@H]1C ZINC000086041660 179222401 /nfs/dbraw/zinc/22/24/01/179222401.db2.gz GKIDCULMRKIPQL-WXHSDQCUSA-N 1 0 259.415 2.120 10 0 CEAERO C[NH2+][C@@H]1CC[C@H](S(=O)(=O)c2ccc3c(c2)CCC3)[C@@H]1C ZINC000086040964 179222469 /nfs/dbraw/zinc/22/24/69/179222469.db2.gz PZSROOXMPYLSIN-LYRGGWFBSA-N 1 0 293.432 2.336 10 0 CEAERO CCC[NH2+][C@@H]1CC[C@@H](CCCS(C)(=O)=O)[C@@H]1C ZINC000086065283 179223638 /nfs/dbraw/zinc/22/36/38/179223638.db2.gz LXQCIUNQKYWMEX-YNEHKIRRSA-N 1 0 261.431 2.226 10 0 CEAERO [NH3+][C@@H](Cc1ccc2ccccc2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000086025112 179219598 /nfs/dbraw/zinc/21/95/98/179219598.db2.gz MSHGHLGSFHIFAG-CVEARBPZSA-N 1 0 289.400 2.144 10 0 CEAERO CC[NH2+][C@H]1CC[C@H](S(=O)(=O)c2ccc(F)cc2)[C@@H]1C ZINC000086040491 179222255 /nfs/dbraw/zinc/22/22/55/179222255.db2.gz UHQCQJIWYKYEQR-SWHYSGLUSA-N 1 0 285.384 2.376 10 0 CEAERO NNc1cccc(COc2ccc(F)cc2F)[nH+]1 ZINC000086117450 179234789 /nfs/dbraw/zinc/23/47/89/179234789.db2.gz PAJKTDPZMQXEAB-UHFFFAOYSA-N 1 0 251.236 2.224 10 0 CEAERO c1ccc(C[C@H]2CN(CCc3cccnc3)CC[NH2+]2)cc1 ZINC000086141950 179236393 /nfs/dbraw/zinc/23/63/93/179236393.db2.gz BWSIMONJBQTAHP-SFHVURJKSA-N 1 0 281.403 2.141 10 0 CEAERO C[C@@]1(c2ccccc2)C[N@H+](CCc2ccncc2)CCN1 ZINC000086141969 179236664 /nfs/dbraw/zinc/23/66/64/179236664.db2.gz XLABHJKTECYTAS-SFHVURJKSA-N 1 0 281.403 2.445 10 0 CEAERO C[C@@]1(c2ccccc2)CN(Cc2nccs2)CC[NH2+]1 ZINC000086144187 179238164 /nfs/dbraw/zinc/23/81/64/179238164.db2.gz GVFQQRLZLSJXMP-HNNXBMFYSA-N 1 0 273.405 2.464 10 0 CEAERO CC[C@@H]1CC[C@@H]([NH2+]CC(=O)N2CCCCC2)[C@@H]1C ZINC000086097659 179229442 /nfs/dbraw/zinc/22/94/42/179229442.db2.gz QCNGREGFBFBAJX-MGPQQGTHSA-N 1 0 252.402 2.413 10 0 CEAERO CC[C@H]1CN(CCc2cc(F)cc(F)c2)CC[NH2+]1 ZINC000086147683 179240019 /nfs/dbraw/zinc/24/00/19/179240019.db2.gz FBPNXQQXHQFDTO-AWEZNQCLSA-N 1 0 254.324 2.191 10 0 CEAERO COc1ccc(C[N@H+](C)C[C@@H](O)COC(C)(C)C)cc1O ZINC000086169250 179243078 /nfs/dbraw/zinc/24/30/78/179243078.db2.gz JPOFXJHSHBJYGO-CYBMUJFWSA-N 1 0 297.395 2.009 10 0 CEAERO Cc1cc(CN2C[C@H](Cc3ccccc3)[NH2+]C[C@@H]2C)no1 ZINC000086173907 179244443 /nfs/dbraw/zinc/24/44/43/179244443.db2.gz HJYQTBMHHOLTQM-BBRMVZONSA-N 1 0 285.391 2.388 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C)CN1CCc1nc(C)cs1 ZINC000086175393 179245866 /nfs/dbraw/zinc/24/58/66/179245866.db2.gz UDYFUCDYHQUEIQ-JQWIXIFHSA-N 1 0 253.415 2.066 10 0 CEAERO C[C@H]([C@@H]1CCCO1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000086177081 179246361 /nfs/dbraw/zinc/24/63/61/179246361.db2.gz BEJJZLKQJSHGBW-BMFZPTHFSA-N 1 0 260.381 2.200 10 0 CEAERO Cc1ncccc1C[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000128527039 187376200 /nfs/dbraw/zinc/37/62/00/187376200.db2.gz YXALCGUYNQPMLT-AWEZNQCLSA-N 1 0 256.353 2.113 10 0 CEAERO CO[C@@H]1CCC[C@H]1[N@@H+]1CCNC2(CCCCC2)C1 ZINC000086146814 179239850 /nfs/dbraw/zinc/23/98/50/179239850.db2.gz PWGWUGXPHLGDDB-ZIAGYGMSSA-N 1 0 252.402 2.162 10 0 CEAERO CC(C)[C@@H]1C[N@@H+]([C@@H]2CCc3ccccc3C2)CCN1 ZINC000086147117 179239879 /nfs/dbraw/zinc/23/98/79/179239879.db2.gz PQDIGJNIBHIFCW-SJORKVTESA-N 1 0 258.409 2.474 10 0 CEAERO CC[C@@H]1CN[C@](C)(C2CC2)C[N@@H+]1C1CCOCC1 ZINC000086218764 179250949 /nfs/dbraw/zinc/25/09/49/179250949.db2.gz PILMQVKGUYUJOB-HIFRSBDPSA-N 1 0 252.402 2.018 10 0 CEAERO CC(C)[C@@H]1CNC2(CCCC2)C[N@@H+]1C1CCOCC1 ZINC000086218864 179251094 /nfs/dbraw/zinc/25/10/94/179251094.db2.gz XGMNDTBMRYMFCI-HNNXBMFYSA-N 1 0 266.429 2.408 10 0 CEAERO CC(C)[C@@H]1C[NH2+]C(C)(C)CN1Cc1nccs1 ZINC000086226838 179253819 /nfs/dbraw/zinc/25/38/19/179253819.db2.gz DVLPLBHQPSUVTI-NSHDSACASA-N 1 0 253.415 2.352 10 0 CEAERO CC[C@H]1C[NH2+]C2(CCCC2)CN1c1cnn(CCOC)c1 ZINC000086227249 179254327 /nfs/dbraw/zinc/25/43/27/179254327.db2.gz SMYRFDWTKWUBTG-AWEZNQCLSA-N 1 0 292.427 2.031 10 0 CEAERO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1[nH]nc2ccccc21 ZINC000606914246 347500653 /nfs/dbraw/zinc/50/06/53/347500653.db2.gz SIKQHKDYKGZQMB-WCQYABFASA-N 1 0 259.353 2.204 10 0 CEAERO CC(C)[C@@H]1CN[C@@H](C2CC2)C[N@@H+]1C[C@@H]1CCCOC1 ZINC000086260103 179259391 /nfs/dbraw/zinc/25/93/91/179259391.db2.gz MGLAEOUXNUXQAV-IMJJTQAJSA-N 1 0 266.429 2.121 10 0 CEAERO Cc1cc(CN2CC3(CCCCC3)[NH2+]C[C@@H]2C)on1 ZINC000086260381 179259460 /nfs/dbraw/zinc/25/94/60/179259460.db2.gz IXOSTNOXHDXESY-ZDUSSCGKSA-N 1 0 263.385 2.480 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@H](C2CC2)CN1CCc1nccs1 ZINC000086264301 179260916 /nfs/dbraw/zinc/26/09/16/179260916.db2.gz NWMXLBLLUNGILL-KBPBESRZSA-N 1 0 279.453 2.394 10 0 CEAERO C[C@@H]1C[NH2+][C@](C)(C2CC2)CN1CCc1nccs1 ZINC000086264291 179261012 /nfs/dbraw/zinc/26/10/12/179261012.db2.gz ZADRHSMQXGSXAR-RISCZKNCSA-N 1 0 265.426 2.148 10 0 CEAERO CCC[C@H]1CN(Cc2nccn2C)[C@H](C(C)C)C[NH2+]1 ZINC000086264886 179261193 /nfs/dbraw/zinc/26/11/93/179261193.db2.gz YMSIWJDJIAVZHT-KBPBESRZSA-N 1 0 264.417 2.019 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C2CC2)CN1CCc1nccs1 ZINC000086264315 179261222 /nfs/dbraw/zinc/26/12/22/179261222.db2.gz LDEHKHGCWNLLQM-OLZOCXBDSA-N 1 0 265.426 2.148 10 0 CEAERO CC[C@H]1CN[C@@](C)(C2CC2)C[N@@H+]1[C@@H](C)CCOC ZINC000086268066 179261739 /nfs/dbraw/zinc/26/17/39/179261739.db2.gz OUDFZEIVKIMHNZ-AEGPPILISA-N 1 0 254.418 2.264 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C2CC2)CN1CCOC1CCCC1 ZINC000086265677 179261982 /nfs/dbraw/zinc/26/19/82/179261982.db2.gz FJBATFAKGZHABY-GDBMZVCRSA-N 1 0 266.429 2.408 10 0 CEAERO CC(C)[C@@H]1C[NH2+]C(C)(C)CN1Cc1cscn1 ZINC000086265443 179262050 /nfs/dbraw/zinc/26/20/50/179262050.db2.gz XBZMIDYGEGNHEU-LBPRGKRZSA-N 1 0 253.415 2.352 10 0 CEAERO CC[C@@H]1CN(CCc2cscn2)[C@@H](CC)C[NH2+]1 ZINC000086265604 179262352 /nfs/dbraw/zinc/26/23/52/179262352.db2.gz SQEDUFKFRQEHDP-YPMHNXCESA-N 1 0 253.415 2.148 10 0 CEAERO CC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1cscn1 ZINC000086265415 179262472 /nfs/dbraw/zinc/26/24/72/179262472.db2.gz QFDGJUIWBHAASM-KGLIPLIRSA-N 1 0 265.426 2.496 10 0 CEAERO Cc1ncc(CN2CCC[NH2+][C@](C)(C3CC3)C2)s1 ZINC000086289955 179264519 /nfs/dbraw/zinc/26/45/19/179264519.db2.gz CGWPBZNEWJGMPY-AWEZNQCLSA-N 1 0 265.426 2.416 10 0 CEAERO CC[C@H](C)[C@@H]1CN(c2cnn(CC)c2)CCC[NH2+]1 ZINC000086287183 179264675 /nfs/dbraw/zinc/26/46/75/179264675.db2.gz VAOOUMXCYDTVFR-JSGCOSHPSA-N 1 0 250.390 2.117 10 0 CEAERO Cc1ncc(CN2CCC[NH2+][C@H](C(C)C)C2)s1 ZINC000086289962 179264752 /nfs/dbraw/zinc/26/47/52/179264752.db2.gz NYQADYCRQSUNGD-ZDUSSCGKSA-N 1 0 253.415 2.271 10 0 CEAERO Fc1cccc(CCN2CCC[NH2+][C@H](C3CC3)C2)c1 ZINC000086287257 179264882 /nfs/dbraw/zinc/26/48/82/179264882.db2.gz CGYINNMCVVANPV-INIZCTEOSA-N 1 0 262.372 2.442 10 0 CEAERO c1csc(C[N@H+]2CCC[C@H](Cn3cncn3)C2)c1 ZINC000128587164 187379151 /nfs/dbraw/zinc/37/91/51/187379151.db2.gz GKOJRURFCHMZQC-LBPRGKRZSA-N 1 0 262.382 2.252 10 0 CEAERO CCCN1C(=O)C[C@@H]([NH3+])[C@H]1c1ccc2ccccc2n1 ZINC000086317441 179270414 /nfs/dbraw/zinc/27/04/14/179270414.db2.gz BFXHICOKHGHYFJ-WBMJQRKESA-N 1 0 269.348 2.246 10 0 CEAERO CC(C)CN1C(=O)C[C@@H]([NH3+])[C@@H]1c1ccc2ccccc2n1 ZINC000086317458 179270546 /nfs/dbraw/zinc/27/05/46/179270546.db2.gz OKUMBEBZOYKVAF-CXAGYDPISA-N 1 0 283.375 2.492 10 0 CEAERO CC(C)[C@@H]([NH3+])CNc1nc(Br)cs1 ZINC000086290949 179265604 /nfs/dbraw/zinc/26/56/04/179265604.db2.gz LEGPKBSXXAZXNV-LURJTMIESA-N 1 0 264.192 2.301 10 0 CEAERO c1ccc2c(c1)C[C@@H](CN1CCC[NH2+][C@H](C3CC3)C1)O2 ZINC000086293896 179268128 /nfs/dbraw/zinc/26/81/28/179268128.db2.gz LKWMCGZHPCFKKJ-HOTGVXAUSA-N 1 0 272.392 2.064 10 0 CEAERO COCCCN(C)[C@@H](C[NH3+])c1cc(Cl)cs1 ZINC000086333330 179273664 /nfs/dbraw/zinc/27/36/64/179273664.db2.gz CYGLKROORNTTIY-JTQLQIEISA-N 1 0 262.806 2.370 10 0 CEAERO [NH3+][C@H]1CC[C@H](NCc2ccccc2Br)C1 ZINC000086399737 179285058 /nfs/dbraw/zinc/28/50/58/179285058.db2.gz DLKHUQHXJJBKJY-QWRGUYRKSA-N 1 0 269.186 2.419 10 0 CEAERO [NH3+][C@H]1CC[C@H](Oc2ncccc2Br)C1 ZINC000086408329 179286076 /nfs/dbraw/zinc/28/60/76/179286076.db2.gz LZUZEUMJRNEAPI-YUMQZZPRSA-N 1 0 257.131 2.103 10 0 CEAERO CC[C@@H]1CN(C(=O)c2ccc(C)nc2C)[C@@H](CC)C[NH2+]1 ZINC000086446150 179294912 /nfs/dbraw/zinc/29/49/12/179294912.db2.gz KVRZEVNWHWKVRP-KGLIPLIRSA-N 1 0 275.396 2.301 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)c1scnc1C ZINC000086448148 179295356 /nfs/dbraw/zinc/29/53/56/179295356.db2.gz ZGKQUMOEDDPVJN-WDEREUQCSA-N 1 0 267.398 2.054 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)c1ccoc1C ZINC000086446772 179295752 /nfs/dbraw/zinc/29/57/52/179295752.db2.gz HXMMQQKCWJDLDW-NWDGAFQWSA-N 1 0 250.342 2.191 10 0 CEAERO CC[C@@H]1CN(S(=O)(=O)C2CCCCC2)[C@@H](CC)C[NH2+]1 ZINC000086448538 179295780 /nfs/dbraw/zinc/29/57/80/179295780.db2.gz SQWXFDPWBDILHS-OLZOCXBDSA-N 1 0 288.457 2.111 10 0 CEAERO C[N@H+](CCc1cccs1)Cc1csc(N)n1 ZINC000086440993 179292766 /nfs/dbraw/zinc/29/27/66/179292766.db2.gz SRQVDCNKKZJBKV-UHFFFAOYSA-N 1 0 253.396 2.461 10 0 CEAERO [NH3+][C@@H](CCO)c1nc2ccc(Br)cc2s1 ZINC000086479110 179300486 /nfs/dbraw/zinc/30/04/86/179300486.db2.gz JURBWIJTYQZHHG-ZETCQYMHSA-N 1 0 287.182 2.441 10 0 CEAERO [NH3+]C1(c2nc(-c3nc(C4CCC4)no3)c[nH]2)CCC1 ZINC000086486077 179301927 /nfs/dbraw/zinc/30/19/27/179301927.db2.gz JITRDYUCJOMPDO-UHFFFAOYSA-N 1 0 259.313 2.065 10 0 CEAERO c1ccc2c(c1)C[C@H]2c1nccc(C[NH2+]C2CC2)n1 ZINC000086490713 179302503 /nfs/dbraw/zinc/30/25/03/179302503.db2.gz NERXHFLAZRXLOS-OAHLLOKOSA-N 1 0 251.333 2.417 10 0 CEAERO CSc1cc2c(cc1C[NH2+]C(C)(C)CO)OCCO2 ZINC000086498682 179303521 /nfs/dbraw/zinc/30/35/21/179303521.db2.gz WYWKPLRFCYYKRI-UHFFFAOYSA-N 1 0 283.393 2.040 10 0 CEAERO CC(C)(c1nc(-c2nccs2)cs1)N1CC[NH2+]CC1 ZINC000086508073 179304193 /nfs/dbraw/zinc/30/41/93/179304193.db2.gz CGGIXMYNGHPYFS-UHFFFAOYSA-N 1 0 294.449 2.407 10 0 CEAERO CC[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)[C@@H](CC)C[NH2+]1 ZINC000086463477 179296308 /nfs/dbraw/zinc/29/63/08/179296308.db2.gz LUJHEMRZRGRVGR-KGLIPLIRSA-N 1 0 296.436 2.146 10 0 CEAERO CC[C@@H]1CN(Cc2occc2C(=O)OC)[C@@H](CC)C[NH2+]1 ZINC000086464447 179296949 /nfs/dbraw/zinc/29/69/49/179296949.db2.gz DEXCCNZGGCBJKA-NEPJUHHUSA-N 1 0 280.368 2.029 10 0 CEAERO [NH3+][C@]1(c2cscc2Br)CCCOC1 ZINC000086554052 179307099 /nfs/dbraw/zinc/30/70/99/179307099.db2.gz SBIDOBPYWNDUJS-SECBINFHSA-N 1 0 262.172 2.475 10 0 CEAERO [NH3+][C@@H](Cc1ccccc1)[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000086567201 179307566 /nfs/dbraw/zinc/30/75/66/179307566.db2.gz TXDPBCMXCOIZQO-CABCVRRESA-N 1 0 287.384 2.128 10 0 CEAERO CCS(=O)(=O)CC[C@@]1([NH3+])CCCc2ccccc21 ZINC000086567323 179308028 /nfs/dbraw/zinc/30/80/28/179308028.db2.gz JXQIUQDJHVJJEO-AWEZNQCLSA-N 1 0 267.394 2.002 10 0 CEAERO [NH3+][C@@]1(CO)CC[C@@H](Sc2ncccc2Cl)C1 ZINC000086637095 179314980 /nfs/dbraw/zinc/31/49/80/179314980.db2.gz UUPZHSFSOWPPIY-KCJUWKMLSA-N 1 0 258.774 2.069 10 0 CEAERO COC[C@H]([NH2+]C[C@H](O)COCCCC(C)C)C(C)C ZINC000086700588 179321453 /nfs/dbraw/zinc/32/14/53/179321453.db2.gz GSSJCCROEYPAQR-GJZGRUSLSA-N 1 0 275.433 2.061 10 0 CEAERO Nc1cc(Br)ccc1C[NH2+]C[C@@H]1CCCO1 ZINC000086706216 179322012 /nfs/dbraw/zinc/32/20/12/179322012.db2.gz QIGWQXVZSKBDHT-NSHDSACASA-N 1 0 285.185 2.300 10 0 CEAERO O[C@@H](c1ccc2c(c1)CCO2)[C@@H]1[NH2+]Cc2ccccc21 ZINC000086668064 179317116 /nfs/dbraw/zinc/31/71/16/179317116.db2.gz COVMEGVBTMJKHH-SJORKVTESA-N 1 0 267.328 2.499 10 0 CEAERO O[C@]1([C@@H]2CCc3ccccc3N2)CC[N@@H+](C2CC2)C1 ZINC000086666780 179317314 /nfs/dbraw/zinc/31/73/14/179317314.db2.gz BJEGBKZWGUBOFI-JKSUJKDBSA-N 1 0 258.365 2.013 10 0 CEAERO O[C@@H](c1ccc2c(c1)OCCO2)[C@@H]1[NH2+]Cc2ccccc21 ZINC000086667111 179317337 /nfs/dbraw/zinc/31/73/37/179317337.db2.gz QFLNJKZMYGYQSO-SJORKVTESA-N 1 0 283.327 2.336 10 0 CEAERO CCc1ccccc1C[NH2+][C@H]1CCC[C@H]1S(C)(=O)=O ZINC000086676226 179318962 /nfs/dbraw/zinc/31/89/62/179318962.db2.gz NTJNAAHCNUFIOT-LSDHHAIUSA-N 1 0 281.421 2.304 10 0 CEAERO CCc1ccccc1C[NH2+][C@@H]1CCC[C@H]1S(C)(=O)=O ZINC000086676225 179319281 /nfs/dbraw/zinc/31/92/81/179319281.db2.gz NTJNAAHCNUFIOT-HUUCEWRRSA-N 1 0 281.421 2.304 10 0 CEAERO C[C@H]([NH2+][C@H]1CCC[C@@H]1S(C)(=O)=O)c1ccsc1 ZINC000086675948 179319418 /nfs/dbraw/zinc/31/94/18/179319418.db2.gz QAKWHEYBWAFPOS-DLOVCJGASA-N 1 0 273.423 2.364 10 0 CEAERO CCN1CC[C@@H]([NH2+][C@H](C)Cc2ccccc2OC)C1 ZINC000336895066 365938855 /nfs/dbraw/zinc/93/88/55/365938855.db2.gz MKAJNEGXFQPIKD-UKRRQHHQSA-N 1 0 262.397 2.310 10 0 CEAERO COC[C@@H](C)[N@H+](C)Cc1ccc(Br)cc1N ZINC000086706293 179322282 /nfs/dbraw/zinc/32/22/82/179322282.db2.gz IKYIAGVCBCMLCF-SECBINFHSA-N 1 0 287.201 2.498 10 0 CEAERO CC(C)C1CCC(C[NH3+])(OCc2cnn(C)c2)CC1 ZINC000086713539 179322587 /nfs/dbraw/zinc/32/25/87/179322587.db2.gz XKSUJTQSDOHBKP-UHFFFAOYSA-N 1 0 265.401 2.480 10 0 CEAERO CCCC1CCC(C[NH3+])(OCC(=O)N(C)C2CC2)CC1 ZINC000086713328 179322737 /nfs/dbraw/zinc/32/27/37/179322737.db2.gz IIHUKHSYRJAAMZ-UHFFFAOYSA-N 1 0 282.428 2.312 10 0 CEAERO CC(C)[C@H](C)NC(=O)CO[C@@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000086712296 179322758 /nfs/dbraw/zinc/32/27/58/179322758.db2.gz VRGYUXXAHXLWRP-IPYPFGDCSA-N 1 0 270.417 2.071 10 0 CEAERO CCOC(=O)[C@@H](C)OC1(C[NH3+])CCC(C)(C)CC1 ZINC000086712199 179323005 /nfs/dbraw/zinc/32/30/05/179323005.db2.gz VPMOUYSJOXFOLW-LLVKDONJSA-N 1 0 257.374 2.252 10 0 CEAERO C[C@H]([NH2+][C@@H](CN(C)C)c1ccccc1)[C@H]1CCOC1 ZINC000128696166 187385037 /nfs/dbraw/zinc/38/50/37/187385037.db2.gz YOACEURTUHMIIS-BPUTZDHNSA-N 1 0 262.397 2.304 10 0 CEAERO C[C@H]([NH3+])c1nc(-c2ncc(Cl)cc2Cl)n[nH]1 ZINC000086784423 179332279 /nfs/dbraw/zinc/33/22/79/179332279.db2.gz BPZXXMWPDURRCH-BYPYZUCNSA-N 1 0 258.112 2.193 10 0 CEAERO CCOC(=O)[C@@]1(NCc2ccccc2)CCC[N@H+](C)CC1 ZINC000086819794 179348134 /nfs/dbraw/zinc/34/81/34/179348134.db2.gz FRFPIOFREWBOEE-QGZVFWFLSA-N 1 0 290.407 2.194 10 0 CEAERO CCC([NH3+])(CC)C(=O)Nc1ccc(Br)cn1 ZINC000086812677 179341535 /nfs/dbraw/zinc/34/15/35/179341535.db2.gz VUKSGIXGLLRWLA-UHFFFAOYSA-N 1 0 286.173 2.300 10 0 CEAERO CC(C)N[C@]1(c2nccs2)CCC[N@H+](C)CC1 ZINC000086833711 179349874 /nfs/dbraw/zinc/34/98/74/179349874.db2.gz LEJHLJKSANFMTI-CYBMUJFWSA-N 1 0 253.415 2.452 10 0 CEAERO COc1cc(C(=O)N2CC[C@H]([NH+](C)C)C2)ccc1Cl ZINC000128716300 187386409 /nfs/dbraw/zinc/38/64/09/187386409.db2.gz PMWMTECEHABWJI-NSHDSACASA-N 1 0 282.771 2.125 10 0 CEAERO COC(=O)[C@]1(Nc2ccc(F)cc2)CCC[N@H+](C)CC1 ZINC000086833209 179349922 /nfs/dbraw/zinc/34/99/22/179349922.db2.gz OKSFEDQSFYTAPE-HNNXBMFYSA-N 1 0 280.343 2.265 10 0 CEAERO CCN(CC)C(=O)[C@H](C)N[C@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086839893 179350907 /nfs/dbraw/zinc/35/09/07/179350907.db2.gz VWEXLMDQYPIPNS-GJZGRUSLSA-N 1 0 283.460 2.096 10 0 CEAERO CC[N@@H+]1CCC[C@H](Nc2ccc(F)c(C(N)=O)c2)CC1 ZINC000086838633 179351358 /nfs/dbraw/zinc/35/13/58/179351358.db2.gz BBXCVTJXTMRZKG-NSHDSACASA-N 1 0 279.359 2.211 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2cc(C(N)=O)ccc2F)CC1 ZINC000086838603 179351894 /nfs/dbraw/zinc/35/18/94/179351894.db2.gz YCXCIWXOEOBXIR-GFCCVEGCSA-N 1 0 279.359 2.211 10 0 CEAERO CC[N@@H+]1CCC[C@H](N[C@@H](CC(C)C)C(=O)OC)CC1 ZINC000086838333 179351905 /nfs/dbraw/zinc/35/19/05/179351905.db2.gz PDROHIBODOXPMU-KBPBESRZSA-N 1 0 270.417 2.038 10 0 CEAERO CCOC(=O)[C@@H](CC)[C@@]1(O)CCC[N@@H+](C(C)C)CC1 ZINC000086868297 179360221 /nfs/dbraw/zinc/36/02/21/179360221.db2.gz LNAKUJDAJMVRED-UKRRQHHQSA-N 1 0 271.401 2.201 10 0 CEAERO CCCn1ccnc1[C@]1(O)CCC[N@@H+](C(C)C)CC1 ZINC000086867639 179360739 /nfs/dbraw/zinc/36/07/39/179360739.db2.gz GCLFELXJUVKKBG-HNNXBMFYSA-N 1 0 265.401 2.375 10 0 CEAERO CCC[C@](C)([NH2+][C@@H]1CCC[N@@H+](C(C)C)CC1)C(=O)[O-] ZINC000086868653 179361464 /nfs/dbraw/zinc/36/14/64/179361464.db2.gz HVNZCNGIEKGVJX-HIFRSBDPSA-N 1 0 270.417 2.482 10 0 CEAERO CCC[N@@H+]1CCC[C@H]([NH+]2CC[C@@](CC)(C(=O)[O-])C2)CC1 ZINC000086869109 179362174 /nfs/dbraw/zinc/36/21/74/179362174.db2.gz GILFVHGLPVIOJT-GOEBONIOSA-N 1 0 282.428 2.438 10 0 CEAERO CC[C@H](C(=O)[O-])[N@H+](C)[C@@H]1CCC[NH+](C(C)C)CC1 ZINC000086869234 179362988 /nfs/dbraw/zinc/36/29/88/179362988.db2.gz FSTKRJSZPVPFPA-CHWSQXEVSA-N 1 0 256.390 2.044 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH2+]C)c1cccc(OC)c1 ZINC000086978396 179372594 /nfs/dbraw/zinc/37/25/94/179372594.db2.gz GBFYSNKSJRDYRV-AWEZNQCLSA-N 1 0 285.409 2.171 10 0 CEAERO CCS(=O)(=O)CCC[C@]1([NH3+])CCC[C@H](C)[C@@H]1C ZINC000086977505 179372790 /nfs/dbraw/zinc/37/27/90/179372790.db2.gz MKMKRXIZULMZKP-RWMBFGLXSA-N 1 0 261.431 2.355 10 0 CEAERO C1C[NH2+][C@H]([C@H]2CCCCN2[C@@H]2CCCOCC2)C1 ZINC000086876865 179365535 /nfs/dbraw/zinc/36/55/35/179365535.db2.gz JYRLRXACHFVPTQ-QLFBSQMISA-N 1 0 252.402 2.162 10 0 CEAERO C[C@@H]1CCC[C@](C[NH3+])(N(C)Cc2cnn(C)c2)CC1 ZINC000086891003 179366061 /nfs/dbraw/zinc/36/60/61/179366061.db2.gz ZDGATUOGTVJJNU-HIFRSBDPSA-N 1 0 264.417 2.150 10 0 CEAERO C[C@@H]1CN([C@@]2(C[NH3+])CCC[C@@H](C)CC2)C[C@H](C)O1 ZINC000086890385 179366371 /nfs/dbraw/zinc/36/63/71/179366371.db2.gz MFLGRBFCQNMDJT-KBXIAJHMSA-N 1 0 254.418 2.393 10 0 CEAERO COC(=O)[C@@]1(NCC[NH+](C)C)CCCC(C)(C)CC1 ZINC000086915928 179367243 /nfs/dbraw/zinc/36/72/43/179367243.db2.gz HIDRZULCPAAGRO-OAHLLOKOSA-N 1 0 270.417 2.040 10 0 CEAERO C[NH2+]Cc1cc(C)nc([C@H]2CSCCS2)n1 ZINC000086985374 179374037 /nfs/dbraw/zinc/37/40/37/179374037.db2.gz FUJJCGLENSNVHS-SNVBAGLBSA-N 1 0 255.412 2.026 10 0 CEAERO C[C@H]1SCCC[C@@]1(C[NH3+])NCc1cccs1 ZINC000086946368 179367889 /nfs/dbraw/zinc/36/78/89/179367889.db2.gz JBIBHGAISHYLAE-PWSUYJOCSA-N 1 0 256.440 2.451 10 0 CEAERO CC(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC(=O)NC2)CC1 ZINC000086946950 179368475 /nfs/dbraw/zinc/36/84/75/179368475.db2.gz AHQMCUWFIDHKTO-MGPQQGTHSA-N 1 0 252.402 2.460 10 0 CEAERO COC(=O)[C@@]1(N2CC[NH2+]CC2)CCC[C@H](C(C)(C)C)CC1 ZINC000086960104 179368685 /nfs/dbraw/zinc/36/86/85/179368685.db2.gz UOIRUZIFXUIVBI-WMLDXEAASA-N 1 0 296.455 2.430 10 0 CEAERO CC[NH2+][C@H](C)[C@@H](CC)c1nc(CCCOC)no1 ZINC000086971910 179370846 /nfs/dbraw/zinc/37/08/46/179370846.db2.gz SDHZKNLOGUZKOS-GHMZBOCLSA-N 1 0 255.362 2.140 10 0 CEAERO C[C@@H]1SCCC[C@@]1(CO)[NH2+]Cc1cccs1 ZINC000086968906 179370934 /nfs/dbraw/zinc/37/09/34/179370934.db2.gz YWQRXDATWZPHNF-JQWIXIFHSA-N 1 0 257.424 2.484 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000086976311 179372152 /nfs/dbraw/zinc/37/21/52/179372152.db2.gz FGRPPKYRWAXPLF-OCCSQVGLSA-N 1 0 267.394 2.074 10 0 CEAERO CC[NH2+][C@@H](C)[C@H](CCCS(=O)(=O)CC)C(C)C ZINC000086976623 179372207 /nfs/dbraw/zinc/37/22/07/179372207.db2.gz PWDZBMLFAQTVQD-QWHCGFSZSA-N 1 0 263.447 2.472 10 0 CEAERO CC[NH2+][C@@H]1CCCC[C@H]1CCCS(=O)(=O)CC ZINC000086976293 179372210 /nfs/dbraw/zinc/37/22/10/179372210.db2.gz FAZLODIPWDVVQD-QWHCGFSZSA-N 1 0 261.431 2.370 10 0 CEAERO CCC(O)(CC)CNC(=O)CC[C@@H](CC[NH3+])C(C)(C)C ZINC000087027264 179381983 /nfs/dbraw/zinc/38/19/83/179381983.db2.gz VMYJWHCMSLAFOI-ZDUSSCGKSA-N 1 0 286.460 2.445 10 0 CEAERO [NH3+][C@@H]1CCCc2sc([C@@H]3CSCCO3)nc21 ZINC000086989890 179374386 /nfs/dbraw/zinc/37/43/86/179374386.db2.gz OAJPVJVZNQXKER-SFYZADRCSA-N 1 0 256.396 2.284 10 0 CEAERO [NH3+][C@H](Cc1cccc(Cl)c1)[C@H]1CSCCO1 ZINC000086988103 179374598 /nfs/dbraw/zinc/37/45/98/179374598.db2.gz WQDCOTACJOCTMY-VXGBXAGGSA-N 1 0 257.786 2.342 10 0 CEAERO COc1ccc(-c2nc(C)c(C)c(NN)[nH+]2)cc1F ZINC000086994252 179375851 /nfs/dbraw/zinc/37/58/51/179375851.db2.gz LYRTXPWPDGTSLR-UHFFFAOYSA-N 1 0 262.288 2.194 10 0 CEAERO COCC[NH2+]C[C@H]1C[C@@H]1c1ccc(OC)c(F)c1 ZINC000086995551 179376627 /nfs/dbraw/zinc/37/66/27/179376627.db2.gz NDRWXOVYKZUAMG-VXGBXAGGSA-N 1 0 253.317 2.174 10 0 CEAERO C[C@H]1CC[C@@H](CNC(=O)c2c(F)cc(F)cc2F)C[NH2+]1 ZINC000086996415 179376670 /nfs/dbraw/zinc/37/66/70/179376670.db2.gz MGWZKXDTMVJAQL-DTWKUNHWSA-N 1 0 286.297 2.222 10 0 CEAERO C[NH2+][C@@H](Cc1ncc[nH]1)c1c(F)cc(F)cc1F ZINC000086996560 179376839 /nfs/dbraw/zinc/37/68/39/179376839.db2.gz DCUJLFQTQGTABP-JTQLQIEISA-N 1 0 255.243 2.330 10 0 CEAERO C[C@@H]1CC[C@@H](CNC(=O)c2c(F)cc(F)cc2F)C[NH2+]1 ZINC000086996414 179376917 /nfs/dbraw/zinc/37/69/17/179376917.db2.gz MGWZKXDTMVJAQL-RKDXNWHRSA-N 1 0 286.297 2.222 10 0 CEAERO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1c(F)cc(F)cc1F ZINC000086997956 179377486 /nfs/dbraw/zinc/37/74/86/179377486.db2.gz VYIVMYCFRSADQE-UFBFGSQYSA-N 1 0 286.297 2.446 10 0 CEAERO CCC1(CC)C[NH2+]C[C@@H](c2ccc(S(C)(=O)=O)cc2)O1 ZINC000087007185 179378358 /nfs/dbraw/zinc/37/83/58/179378358.db2.gz JUQZKTLQHRSEKK-AWEZNQCLSA-N 1 0 297.420 2.310 10 0 CEAERO CCOC(=O)N1CCC([NH2+]C[C@]2(O)CCC[C@@H](C)C2)CC1 ZINC000087050823 179389007 /nfs/dbraw/zinc/38/90/07/179389007.db2.gz BYUCIYBVSKQOPC-CJNGLKHVSA-N 1 0 298.427 2.138 10 0 CEAERO C[C@@H]1CCC[C@@](C[NH2+]C2CC2)(O[C@@H]2CCOC2)C1 ZINC000104119007 185898665 /nfs/dbraw/zinc/89/86/65/185898665.db2.gz XTSMKGLNDUHSBJ-BPLDGKMQSA-N 1 0 253.386 2.493 10 0 CEAERO CCSCc1noc([C@]2(CC)CCC[NH2+]C2)n1 ZINC000087105180 179394888 /nfs/dbraw/zinc/39/48/88/179394888.db2.gz BWXVQPPVOXWHNA-GFCCVEGCSA-N 1 0 255.387 2.354 10 0 CEAERO C[C@@H]1CCC[C@@](O)(C[NH2+]CCCOCC(F)(F)F)C1 ZINC000087064649 179390017 /nfs/dbraw/zinc/39/00/17/179390017.db2.gz CKTQFVMPTVVCSZ-NEPJUHHUSA-N 1 0 283.334 2.486 10 0 CEAERO Cc1cccc(NC(=O)C[NH2+]C[C@@]2(O)CCC[C@@H](C)C2)c1 ZINC000087065332 179390030 /nfs/dbraw/zinc/39/00/30/179390030.db2.gz UIWDMFCSQPULGZ-RHSMWYFYSA-N 1 0 290.407 2.464 10 0 CEAERO CC1(C)CCC(O)(C[NH2+]C[C@H](O)COC2CCCC2)CC1 ZINC000087063579 179390116 /nfs/dbraw/zinc/39/01/16/179390116.db2.gz LCMGBVZFSRYMMN-AWEZNQCLSA-N 1 0 299.455 2.227 10 0 CEAERO CC1(C)CCC(O)(C[NH2+]Cc2ccccc2C(N)=O)CC1 ZINC000087063484 179390448 /nfs/dbraw/zinc/39/04/48/179390448.db2.gz VGSBIKKESDTNED-UHFFFAOYSA-N 1 0 290.407 2.206 10 0 CEAERO CC[C@H](CC[NH3+])CCC(=O)NCC1(O)CCC(C)CC1 ZINC000087068509 179390867 /nfs/dbraw/zinc/39/08/67/179390867.db2.gz AZDJZGNQYLDVJU-BBBYJDLNSA-N 1 0 284.444 2.199 10 0 CEAERO CCC1CCC(O)(C[NH2+]C[C@H]2CN(C(C)C)CCO2)CC1 ZINC000087066142 179390977 /nfs/dbraw/zinc/39/09/77/179390977.db2.gz BVAUBAFMHYWUDA-CGZBRXJRSA-N 1 0 298.471 2.017 10 0 CEAERO CC(C)[C@H](CC[NH3+])CCC(=O)NC[C@@]1(O)CCC[C@@H](C)C1 ZINC000087069227 179391485 /nfs/dbraw/zinc/39/14/85/179391485.db2.gz KJVINTYKRJQUEJ-HLLBOEOZSA-N 1 0 298.471 2.445 10 0 CEAERO C[C@H]1CCC[C@@](O)(CNC(=O)CC2([NH3+])CCCCC2)C1 ZINC000087069977 179391547 /nfs/dbraw/zinc/39/15/47/179391547.db2.gz LXPUNKSZSUTOJH-BBRMVZONSA-N 1 0 282.428 2.096 10 0 CEAERO Cc1cc(NCCC2(C[NH3+])CC2)ncc1Br ZINC000395924281 539614334 /nfs/dbraw/zinc/61/43/34/539614334.db2.gz ZLPHFPKDTVAMDX-UHFFFAOYSA-N 1 0 284.201 2.115 10 0 CEAERO CC[C@@H](CC[NH3+])CCC(=O)NCC1(O)CCCCCC1 ZINC000087089902 179393326 /nfs/dbraw/zinc/39/33/26/179393326.db2.gz ZHFPGWMATFKMQV-CQSZACIVSA-N 1 0 284.444 2.343 10 0 CEAERO C[C@H]1CCC[C@]([NH3+])(C(=O)NCC2(O)CCCCCC2)C1 ZINC000087089879 179393443 /nfs/dbraw/zinc/39/34/43/179393443.db2.gz ZUACLUATXFYIKD-XJKSGUPXSA-N 1 0 282.428 2.096 10 0 CEAERO C[C@@]1(C(=O)OCc2ccc(Cl)cc2)CC[NH2+]C1 ZINC000087090891 179394143 /nfs/dbraw/zinc/39/41/43/179394143.db2.gz MXOVTTTZWBIKHN-CYBMUJFWSA-N 1 0 253.729 2.383 10 0 CEAERO CC[C@@H](C)SC[C@H](Cc1cccnc1N)[NH2+]C ZINC000087135409 179396738 /nfs/dbraw/zinc/39/67/38/179396738.db2.gz DQQVIZRPVBQZMX-PWSUYJOCSA-N 1 0 253.415 2.326 10 0 CEAERO CC[C@@H](C)SC[C@@H](Cc1cccnc1N)[NH2+]C ZINC000087135405 179397037 /nfs/dbraw/zinc/39/70/37/179397037.db2.gz DQQVIZRPVBQZMX-ZYHUDNBSSA-N 1 0 253.415 2.326 10 0 CEAERO Nc1ncccc1C[C@@H]([NH3+])CSc1ccccc1 ZINC000087162003 179398221 /nfs/dbraw/zinc/39/82/21/179398221.db2.gz LLTBMBAHDKDHFS-GFCCVEGCSA-N 1 0 259.378 2.326 10 0 CEAERO C[NH2+][C@@H](CSc1ccccc1)Cc1cnn(C)c1 ZINC000087162444 179398435 /nfs/dbraw/zinc/39/84/35/179398435.db2.gz TVCPTNOUNUIGOZ-CYBMUJFWSA-N 1 0 261.394 2.343 10 0 CEAERO COc1cccc(OC)c1[C@H](O)[C@H](C[NH3+])CC(C)C ZINC000087379056 179417691 /nfs/dbraw/zinc/41/76/91/179417691.db2.gz YHRNDTAAVMVMRE-XHDPSFHLSA-N 1 0 267.369 2.358 10 0 CEAERO CCC[C@H](C[NH3+])NC(=O)c1cccc2cccnc21 ZINC000087387305 179419083 /nfs/dbraw/zinc/41/90/83/179419083.db2.gz CEPVAJZOYLANEX-GFCCVEGCSA-N 1 0 257.337 2.092 10 0 CEAERO CC(C)[C@H](C[NH3+])NC(=O)c1c(F)cccc1Cl ZINC000087403709 179419759 /nfs/dbraw/zinc/41/97/59/179419759.db2.gz ZRONAXAORIBYEJ-JTQLQIEISA-N 1 0 258.724 2.192 10 0 CEAERO C[NH2+][C@@H](C)c1ccnc(-n2cc(Br)cn2)c1 ZINC000087413970 179422157 /nfs/dbraw/zinc/42/21/57/179422157.db2.gz LEIIVZHWSQVHES-QMMMGPOBSA-N 1 0 281.157 2.310 10 0 CEAERO C[NH+](C)CCSc1ncc(Br)cc1N ZINC000087416685 179423031 /nfs/dbraw/zinc/42/30/31/179423031.db2.gz UVSBQNLWPYRWMH-UHFFFAOYSA-N 1 0 276.203 2.080 10 0 CEAERO CC(C)c1nsc(N2[C@@H](C[NH3+])CCC[C@@H]2C)n1 ZINC000087642752 179462328 /nfs/dbraw/zinc/46/23/28/179462328.db2.gz KFLOJYGYNPBWIG-VHSXEESVSA-N 1 0 254.403 2.368 10 0 CEAERO C[C@H]1CCN(c2nc(C(C)(C)C)ns2)C[C@@H]1[NH3+] ZINC000087642740 179462350 /nfs/dbraw/zinc/46/23/50/179462350.db2.gz FDPTZDIRDKLRAG-IUCAKERBSA-N 1 0 254.403 2.009 10 0 CEAERO C[C@@H]([NH3+])CCC[C@H](C)C(=O)N(C)Cc1cscn1 ZINC000087700420 179472785 /nfs/dbraw/zinc/47/27/85/179472785.db2.gz IHMZRMWTEZRHLM-WDEREUQCSA-N 1 0 269.414 2.255 10 0 CEAERO C[NH2+]C[C@@H](C)Cc1c(C)nc(N2CCCC2)nc1C ZINC000087707029 179474217 /nfs/dbraw/zinc/47/42/17/179474217.db2.gz ZZCLBXHPXNQNRK-NSHDSACASA-N 1 0 262.401 2.092 10 0 CEAERO CCc1ccc(CSc2nnc(C)n2CC[NH3+])cc1 ZINC000087711504 179476510 /nfs/dbraw/zinc/47/65/10/179476510.db2.gz VCYAVMVIYCYPFD-UHFFFAOYSA-N 1 0 276.409 2.400 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)NCc1cccc(Cl)c1 ZINC000087515713 179438064 /nfs/dbraw/zinc/43/80/64/179438064.db2.gz FEQJPUYLNWZKHE-NSHDSACASA-N 1 0 254.761 2.331 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)Nc1ccc(Cl)cc1C(=O)OC ZINC000087517513 179438723 /nfs/dbraw/zinc/43/87/23/179438723.db2.gz YUIWLAWEJSGIFR-QMMMGPOBSA-N 1 0 284.743 2.050 10 0 CEAERO COC(=O)Nc1ccc(NC(=O)[C@@H](C[NH3+])C(C)C)cc1 ZINC000087522162 179439501 /nfs/dbraw/zinc/43/95/01/179439501.db2.gz BCZADEQQEGBCQY-LBPRGKRZSA-N 1 0 279.340 2.034 10 0 CEAERO CC[NH2+][C@@](C)(CC(N)=O)c1cccc(C(F)(F)F)c1 ZINC000087549559 179444454 /nfs/dbraw/zinc/44/44/54/179444454.db2.gz ORISIXVWMVXPTH-LBPRGKRZSA-N 1 0 274.286 2.406 10 0 CEAERO C[NH2+]C1(Cc2nnc3nc(C)cc(C)n23)CCCCC1 ZINC000087571403 179447331 /nfs/dbraw/zinc/44/73/31/179447331.db2.gz QYMPVYWEGVIFLA-UHFFFAOYSA-N 1 0 273.384 2.206 10 0 CEAERO OCCc1cccc([C@H]2CCCCC[N@H+]2CCO)c1 ZINC000616624367 348538816 /nfs/dbraw/zinc/53/88/16/348538816.db2.gz ZILCYKDJZPUATD-MRXNPFEDSA-N 1 0 263.381 2.131 10 0 CEAERO CCOC(=O)c1ccccc1[C@H]1CCCCN(CC[NH3+])C1 ZINC000616626763 348539629 /nfs/dbraw/zinc/53/96/29/348539629.db2.gz AXNRKNZHNGZQLY-AWEZNQCLSA-N 1 0 290.407 2.392 10 0 CEAERO CCOC(=O)c1cccc([C@H]2C[N@@H+](C(C)C)CCN2)c1 ZINC000616631684 348541262 /nfs/dbraw/zinc/54/12/62/348541262.db2.gz BDIPSNHLRAWWCV-OAHLLOKOSA-N 1 0 276.380 2.218 10 0 CEAERO COc1ccccc1NC1(C[NH3+])CCSCC1 ZINC000087913027 179521564 /nfs/dbraw/zinc/52/15/64/179521564.db2.gz UAKAIPXTRFEJOB-UHFFFAOYSA-N 1 0 252.383 2.332 10 0 CEAERO CC[N@@H+]1CCOC[C@H](c2ccc3nnccc3c2)C1 ZINC000616660382 348552166 /nfs/dbraw/zinc/55/21/66/348552166.db2.gz LTXFJUYPZNZYOO-CQSZACIVSA-N 1 0 257.337 2.066 10 0 CEAERO CCOC(=O)c1ccccc1[C@H]1C[N@H+](C)CCCO1 ZINC000616651814 348548695 /nfs/dbraw/zinc/54/86/95/348548695.db2.gz KHZICNDBTATEGO-CQSZACIVSA-N 1 0 263.337 2.257 10 0 CEAERO CC[NH2+]C[C@H](C)[C@H](C)n1cc(Br)cn1 ZINC000087949533 179528227 /nfs/dbraw/zinc/52/82/27/179528227.db2.gz YTBPQYLOYPEHGT-IUCAKERBSA-N 1 0 260.179 2.452 10 0 CEAERO CCCn1cc([C@@H]([NH2+]CC)[C@H]2CCCOC2)cn1 ZINC000087814630 179490846 /nfs/dbraw/zinc/49/08/46/179490846.db2.gz GJCRHTGQFALZJH-JSGCOSHPSA-N 1 0 251.374 2.370 10 0 CEAERO CC[C@H](C)n1ccc(C[C@@H]([NH2+]C)[C@@H]2CCCOC2)n1 ZINC000087814242 179490858 /nfs/dbraw/zinc/49/08/58/179490858.db2.gz JTCIYPHNKKWCMP-GZBFAFLISA-N 1 0 265.401 2.411 10 0 CEAERO CCCn1nccc1[C@@H]([NH2+]CC)[C@H]1CCCOC1 ZINC000087814746 179491248 /nfs/dbraw/zinc/49/12/48/179491248.db2.gz BAAYXTIXEPPNAD-JSGCOSHPSA-N 1 0 251.374 2.370 10 0 CEAERO CC(C)(C)OC(=O)Nc1ccc([C@@H]2C[NH2+]CCN2)cc1 ZINC000616654307 348549070 /nfs/dbraw/zinc/54/90/70/348549070.db2.gz QCXTUINYTSQMSI-ZDUSSCGKSA-N 1 0 277.368 2.268 10 0 CEAERO C[C@H]([NH2+]Cc1ccccc1-n1cccn1)C(C)(C)O ZINC000087818623 179492452 /nfs/dbraw/zinc/49/24/52/179492452.db2.gz HUOALWRROABOQV-LBPRGKRZSA-N 1 0 259.353 2.121 10 0 CEAERO c1ccc(C[N@@H+]2CCCO[C@H](c3cncnc3)C2)cc1 ZINC000616652661 348549131 /nfs/dbraw/zinc/54/91/31/348549131.db2.gz NBMMVCOBTMUWFY-INIZCTEOSA-N 1 0 269.348 2.440 10 0 CEAERO c1onnc1[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000616652638 348549356 /nfs/dbraw/zinc/54/93/56/348549356.db2.gz MSZOTYCKSVJYCL-AWEZNQCLSA-N 1 0 259.309 2.033 10 0 CEAERO COc1ccc(CSc2nncs2)cc1C(N)=[NH2+] ZINC000087828771 179496207 /nfs/dbraw/zinc/49/62/07/179496207.db2.gz OJVMSCGOFKDFCG-UHFFFAOYSA-N 1 0 280.378 2.123 10 0 CEAERO CCCN(c1nc(NN)[nH+]cc1Br)C(C)C ZINC000087852504 179501284 /nfs/dbraw/zinc/50/12/84/179501284.db2.gz MIGZJNGQTOELIJ-UHFFFAOYSA-N 1 0 288.193 2.150 10 0 CEAERO CC(C)[N@@H+]1CCOCC[C@H]1c1cccc(CCO)c1 ZINC000616597380 348529102 /nfs/dbraw/zinc/52/91/02/348529102.db2.gz DSDRUKWOUCIDBI-INIZCTEOSA-N 1 0 263.381 2.393 10 0 CEAERO [NH3+]CCN1CCC[C@@H](c2cccc3ccnnc32)CC1 ZINC000616600326 348530109 /nfs/dbraw/zinc/53/01/09/348530109.db2.gz BTUQUMRXIJIZCY-CYBMUJFWSA-N 1 0 270.380 2.158 10 0 CEAERO OCC[N@@H+]1CCC[C@H](c2cccc3nnccc32)CC1 ZINC000616601667 348531202 /nfs/dbraw/zinc/53/12/02/348531202.db2.gz SJXNSZWNYRDLHB-ZDUSSCGKSA-N 1 0 271.364 2.192 10 0 CEAERO CCOC(=O)c1ccc([C@H]2CCCC[N@@H+]2CCO)cc1 ZINC000616614199 348534697 /nfs/dbraw/zinc/53/46/97/348534697.db2.gz KQKHVDNYPGTHTE-OAHLLOKOSA-N 1 0 277.364 2.383 10 0 CEAERO CC(=O)Nc1ccc([C@@H]2CCCCN2CC[NH3+])cc1 ZINC000616616526 348534720 /nfs/dbraw/zinc/53/47/20/348534720.db2.gz RJWBZNROHMPQNT-HNNXBMFYSA-N 1 0 261.369 2.131 10 0 CEAERO [NH3+]CCN1CCCC[C@H]1c1cnnc2ccccc21 ZINC000616616412 348534983 /nfs/dbraw/zinc/53/49/83/348534983.db2.gz NDYMTJUVNNYTGM-HNNXBMFYSA-N 1 0 256.353 2.116 10 0 CEAERO CCCCOCCOC(=O)C[C@H](C[NH3+])CC(C)C ZINC000088273497 179573349 /nfs/dbraw/zinc/57/33/49/179573349.db2.gz LWWHFXNIVADNAR-CYBMUJFWSA-N 1 0 259.390 2.357 10 0 CEAERO Nc1ncccc1C[C@@H]([NH3+])[C@H]1CCc2ccccc2C1 ZINC000088032655 179537244 /nfs/dbraw/zinc/53/72/44/179537244.db2.gz DBMGKBGHIDQFCM-GOEBONIOSA-N 1 0 267.376 2.339 10 0 CEAERO c1ccc2c(c1)C[C@H](c1ncc(C[NH2+]C3CC3)cn1)CO2 ZINC000088039946 179537768 /nfs/dbraw/zinc/53/77/68/179537768.db2.gz WRNBDJQOUQJXMH-AWEZNQCLSA-N 1 0 281.359 2.447 10 0 CEAERO COCC[NH2+]CCCc1c(C)nc([C@@H]2C[C@H]2C)nc1C ZINC000088055138 179540297 /nfs/dbraw/zinc/54/02/97/179540297.db2.gz LJUOKSFBSDKBRM-IAQYHMDHSA-N 1 0 277.412 2.385 10 0 CEAERO [NH3+]CCC[S@](=O)Cc1csc2ccccc12 ZINC000088066999 179543715 /nfs/dbraw/zinc/54/37/15/179543715.db2.gz JVZQKAZZWBMPGB-MRXNPFEDSA-N 1 0 253.392 2.499 10 0 CEAERO CCO[C@H](C)c1noc(C[C@@H](C[NH3+])CC(C)C)n1 ZINC000088275478 179573795 /nfs/dbraw/zinc/57/37/95/179573795.db2.gz HCQFLAHOVUOIOX-MNOVXSKESA-N 1 0 255.362 2.331 10 0 CEAERO [NH3+]C1(C(=O)N2CCC[C@H]2c2ccccc2Cl)CC1 ZINC000088130536 179553734 /nfs/dbraw/zinc/55/37/34/179553734.db2.gz CTTQFBLAKMDQRY-LBPRGKRZSA-N 1 0 264.756 2.495 10 0 CEAERO C[NH2+][C@@H]1CCCc2c(OC[C@@H](O)COC(C)C)cccc21 ZINC000088151649 179557805 /nfs/dbraw/zinc/55/78/05/179557805.db2.gz RMKIIYBIWUIYEN-XJKSGUPXSA-N 1 0 293.407 2.448 10 0 CEAERO Cc1cc(-c2noc([C@]3(C)CC[NH2+]C3)n2)cc(C)c1O ZINC000088153219 179558514 /nfs/dbraw/zinc/55/85/14/179558514.db2.gz DFDVUYCXHZQIHZ-OAHLLOKOSA-N 1 0 273.336 2.310 10 0 CEAERO C[C@@H](O)C[C@H](C[NH3+])c1cc(Br)ccc1F ZINC000088187184 179561118 /nfs/dbraw/zinc/56/11/18/179561118.db2.gz VRHRSIXTNDVMQC-HTQZYQBOSA-N 1 0 276.149 2.401 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1c(C)ccnc1Cl ZINC000088189003 179562033 /nfs/dbraw/zinc/56/20/33/179562033.db2.gz QBIJOVDBCWMAGS-VXNVDRBHSA-N 1 0 255.749 2.355 10 0 CEAERO CC(C)[C@H]1COCC[N@H+](CCNC(=O)OC(C)(C)C)C1 ZINC000616662346 348553996 /nfs/dbraw/zinc/55/39/96/348553996.db2.gz AMJMUOSLUYYTHY-CYBMUJFWSA-N 1 0 286.416 2.116 10 0 CEAERO Nc1cccc([C@@H]2c3ccccc3CCN2CC[NH3+])c1 ZINC000616678106 348558268 /nfs/dbraw/zinc/55/82/68/348558268.db2.gz BSSLYRHONUQYNH-QGZVFWFLSA-N 1 0 267.376 2.175 10 0 CEAERO CC[C@H](C[NH3+])c1nc([C@H]2COc3ccccc3C2)no1 ZINC000087996431 179532647 /nfs/dbraw/zinc/53/26/47/179532647.db2.gz GFFKOLFMZFTSCG-ZYHUDNBSSA-N 1 0 273.336 2.241 10 0 CEAERO CC[C@@H](C[NH3+])c1nc([C@H]2COc3ccccc3C2)no1 ZINC000087996430 179532818 /nfs/dbraw/zinc/53/28/18/179532818.db2.gz GFFKOLFMZFTSCG-CMPLNLGQSA-N 1 0 273.336 2.241 10 0 CEAERO CCC[NH2+][C@@H]1CCOC[C@H]1N1CCC[C@H](C(F)(F)F)C1 ZINC000088418673 179597328 /nfs/dbraw/zinc/59/73/28/179597328.db2.gz BHXLKRZXYFWBAZ-YNEHKIRRSA-N 1 0 294.361 2.418 10 0 CEAERO [NH3+][C@H]1CCCc2c1ccn2-c1cnc(Br)cn1 ZINC000088446576 179604505 /nfs/dbraw/zinc/60/45/05/179604505.db2.gz NLHTWWIJPVYRNJ-VIFPVBQESA-N 1 0 293.168 2.366 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C(=O)Nc2ccc(OC(F)F)cc2)C1 ZINC000088449835 179605894 /nfs/dbraw/zinc/60/58/94/179605894.db2.gz BJLJNJSPQBPRMY-UWVGGRQHSA-N 1 0 284.306 2.472 10 0 CEAERO COCc1ccccc1[C@H]1[C@@H]([NH3+])CCC(=O)N1CC(C)C ZINC000088557126 179624390 /nfs/dbraw/zinc/62/43/90/179624390.db2.gz FTYYVWCFZAJVHT-RDJZCZTQSA-N 1 0 290.407 2.480 10 0 CEAERO CC[C@H]([NH2+]C)c1ccc(OCc2ncnn2C)cc1 ZINC000088571676 179628259 /nfs/dbraw/zinc/62/82/59/179628259.db2.gz PHPCSLHTQPGYLT-ZDUSSCGKSA-N 1 0 260.341 2.065 10 0 CEAERO Cn1ncnc1C[C@H]1CCCc2ccccc2[C@@H]1[NH3+] ZINC000088580627 179628763 /nfs/dbraw/zinc/62/87/63/179628763.db2.gz WTPFUTRWEOUFAQ-IUODEOHRSA-N 1 0 256.353 2.010 10 0 CEAERO C[NH2+][C@H]1c2ccccc2CCC[C@H]1Cc1ncnn1C ZINC000088580633 179628872 /nfs/dbraw/zinc/62/88/72/179628872.db2.gz DVQIQUBLCOSUBT-XJKSGUPXSA-N 1 0 270.380 2.271 10 0 CEAERO CCC[NH2+][C@@H](Cc1ncnn1C)Cc1cccc(C)c1 ZINC000088581950 179629326 /nfs/dbraw/zinc/62/93/26/179629326.db2.gz JIJRVDWRNSPRBJ-OAHLLOKOSA-N 1 0 272.396 2.277 10 0 CEAERO C[NH2+][C@@H](Cc1ncnn1C)C1CCC(C)(C)CC1 ZINC000088582424 179630181 /nfs/dbraw/zinc/63/01/81/179630181.db2.gz MBSGISGPQGGKQZ-LBPRGKRZSA-N 1 0 250.390 2.162 10 0 CEAERO CC(C)[NH2+]C[C@@H](Cc1ncnn1C)Cc1ccccc1F ZINC000088583145 179630290 /nfs/dbraw/zinc/63/02/90/179630290.db2.gz SSCAFTHHSXEINX-CYBMUJFWSA-N 1 0 290.386 2.354 10 0 CEAERO CCCn1ncnc1C[C@@H](Cc1ccccc1F)[NH2+]C ZINC000088611089 179638576 /nfs/dbraw/zinc/63/85/76/179638576.db2.gz DWMDCUSMNKJYNZ-CYBMUJFWSA-N 1 0 276.359 2.200 10 0 CEAERO CCCn1ncnc1C[C@H]([NH3+])Cc1ccc(F)cc1F ZINC000088612561 179639185 /nfs/dbraw/zinc/63/91/85/179639185.db2.gz UNRBYHGQVHYHJL-GFCCVEGCSA-N 1 0 280.322 2.079 10 0 CEAERO CCCn1ncnc1C[C@@H](C[NH3+])Cc1ccc(C)cc1 ZINC000088619913 179640596 /nfs/dbraw/zinc/64/05/96/179640596.db2.gz DEBXBTWPOKGKGG-HNNXBMFYSA-N 1 0 272.396 2.357 10 0 CEAERO CC(C)n1ncnc1Cn1ccc2cc(C[NH3+])ccc21 ZINC000088623506 179641260 /nfs/dbraw/zinc/64/12/60/179641260.db2.gz JKJZLNMACCXRQR-UHFFFAOYSA-N 1 0 269.352 2.321 10 0 CEAERO CC(C)C[C@H]1CN(Cc2ncnn2CC(C)C)[C@@H](C)C[NH2+]1 ZINC000088625455 179642484 /nfs/dbraw/zinc/64/24/84/179642484.db2.gz JMWXXUFGWIPTAD-GJZGRUSLSA-N 1 0 293.459 2.143 10 0 CEAERO CC(C)n1ncnc1CN1C[C@](C)(C2CC2)[NH2+]CC[C@@H]1C ZINC000088625977 179643179 /nfs/dbraw/zinc/64/31/79/179643179.db2.gz KIKAHKNZXBZDKG-XJKSGUPXSA-N 1 0 291.443 2.212 10 0 CEAERO C[NH2+][C@@H](Cc1nc2ccccc2o1)[C@@H]1CCCOC1 ZINC000088518282 179617613 /nfs/dbraw/zinc/61/76/13/179617613.db2.gz CRWLCJGPXZMXPE-YPMHNXCESA-N 1 0 260.337 2.385 10 0 CEAERO Clc1cnccc1CN1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000088782495 179671479 /nfs/dbraw/zinc/67/14/79/179671479.db2.gz CJQBASWCXKAZTM-UONOGXRCSA-N 1 0 265.788 2.451 10 0 CEAERO C[C@@H]1CN(Cc2ccncc2Cl)[C@@H](C)CC[NH2+]1 ZINC000088792133 179672993 /nfs/dbraw/zinc/67/29/93/179672993.db2.gz ZWEYYIXIYCVKBN-MNOVXSKESA-N 1 0 253.777 2.307 10 0 CEAERO C[NH2+]Cc1ccc(S(=O)(=O)N2C[C@@H](C)CC[C@@H]2C)cc1 ZINC000088708564 179654445 /nfs/dbraw/zinc/65/44/45/179654445.db2.gz HYRMAMVLXIPPLS-STQMWFEESA-N 1 0 296.436 2.215 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1c(F)cc(F)cc1F ZINC000088721314 179658255 /nfs/dbraw/zinc/65/82/55/179658255.db2.gz FYAUXXALXPHCSS-ZETCQYMHSA-N 1 0 260.259 2.288 10 0 CEAERO CCCC1(C(=O)N[C@H]2CC=CCC2)CC[NH2+]CC1 ZINC000088748048 179664054 /nfs/dbraw/zinc/66/40/54/179664054.db2.gz VUTVMEDMWAXVFA-ZDUSSCGKSA-N 1 0 250.386 2.381 10 0 CEAERO [NH3+]CCCc1nnc(-c2ccc3c(c2)CCO3)s1 ZINC000088809515 179675940 /nfs/dbraw/zinc/67/59/40/179675940.db2.gz ZKIQKVYRKHOPCW-UHFFFAOYSA-N 1 0 261.350 2.031 10 0 CEAERO CCCNS(=O)(=O)c1c2ccccc2sc1C[NH3+] ZINC000088976182 179688088 /nfs/dbraw/zinc/68/80/88/179688088.db2.gz BUZYJTVEDAGAET-UHFFFAOYSA-N 1 0 284.406 2.048 10 0 CEAERO CCC[C@H]1C[C@@H]1NC(=O)c1cccc2c1CC[NH2+]C2 ZINC000233399720 539669661 /nfs/dbraw/zinc/66/96/61/539669661.db2.gz PYHVGDZVNHWXHG-NHYWBVRUSA-N 1 0 258.365 2.251 10 0 CEAERO CC[C@H]1C[NH2+][C@@](C)(C2CC2)CN1CCOC(F)(F)F ZINC000089057482 179695514 /nfs/dbraw/zinc/69/55/14/179695514.db2.gz WYXZZTOLVIOJCW-NWDGAFQWSA-N 1 0 280.334 2.375 10 0 CEAERO CCOC(=O)c1ccc(N[C@H]2CCCC[C@@H]2C[NH3+])nc1 ZINC000089108802 179704966 /nfs/dbraw/zinc/70/49/66/179704966.db2.gz RJGHXGHLIJUTKN-YPMHNXCESA-N 1 0 277.368 2.188 10 0 CEAERO CN(c1nncc2ccccc21)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089112763 179706623 /nfs/dbraw/zinc/70/66/23/179706623.db2.gz QUKHZFOYZREWJJ-RISCZKNCSA-N 1 0 256.353 2.193 10 0 CEAERO CN(c1cc(Cl)ccc1C(N)=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089133317 179714342 /nfs/dbraw/zinc/71/43/42/179714342.db2.gz ORPLBAOHDTYIAH-ZWNOBZJWSA-N 1 0 295.814 2.393 10 0 CEAERO CNC(=O)Nc1ccc(N[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000089144167 179722428 /nfs/dbraw/zinc/72/24/28/179722428.db2.gz JUZDQBNNRSADKZ-FZMZJTMJSA-N 1 0 276.384 2.367 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1Nc1ccccc1Cn1cccn1 ZINC000089148771 179724411 /nfs/dbraw/zinc/72/44/11/179724411.db2.gz OKSYXCGQPUFXOA-HIFRSBDPSA-N 1 0 270.380 2.471 10 0 CEAERO CC(=O)Nc1ccc(C)c(N[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089149520 179725196 /nfs/dbraw/zinc/72/51/96/179725196.db2.gz OQFNIVCXCLGVMK-TZMCWYRMSA-N 1 0 261.369 2.493 10 0 CEAERO CCn1nc(C[C@](C)(O)[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000089176120 179741646 /nfs/dbraw/zinc/74/16/46/179741646.db2.gz ZRSRYIBWUFYVNV-DYVFJYSZSA-N 1 0 287.407 2.349 10 0 CEAERO CCn1nc(CN2CC[NH2+]CC[C@H]2C)c2ccccc21 ZINC000089180353 179744779 /nfs/dbraw/zinc/74/47/79/179744779.db2.gz HSQBDMPXSJLMTN-CYBMUJFWSA-N 1 0 272.396 2.240 10 0 CEAERO CCn1nc(C)cc1C[C@]1(C[NH3+])CCOc2ccccc21 ZINC000089230924 179758302 /nfs/dbraw/zinc/75/83/02/179758302.db2.gz VOIPPADTWOKNLV-KRWDZBQOSA-N 1 0 285.391 2.433 10 0 CEAERO C[NH2+]CC[C@@H]1CCCCN1Cc1c(Cl)c(C)nn1C ZINC000089247971 179760252 /nfs/dbraw/zinc/76/02/52/179760252.db2.gz WPEIHIAYSHUUBV-LBPRGKRZSA-N 1 0 284.835 2.346 10 0 CEAERO Cc1nn(C)c(C[C@@H]([NH3+])Cc2ccccc2)c1Cl ZINC000089250508 179760582 /nfs/dbraw/zinc/76/05/82/179760582.db2.gz OMHWZMAEYCKMFT-LBPRGKRZSA-N 1 0 263.772 2.494 10 0 CEAERO CCC1(C)CCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089462213 539719283 /nfs/dbraw/zinc/71/92/83/539719283.db2.gz ZRXUGHNOYVXKEP-STQMWFEESA-N 1 0 252.402 2.400 10 0 CEAERO C[C@H]1C[C@@H](O)C[N@H+](CCOc2ccccc2Cl)C1 ZINC000401688461 233185287 /nfs/dbraw/zinc/18/52/87/233185287.db2.gz DKDHSSAODLHBRO-NWDGAFQWSA-N 1 0 269.772 2.422 10 0 CEAERO CCn1nc(C)cc1C[C@H](CSC(C)C)[NH2+]C ZINC000089198725 179751786 /nfs/dbraw/zinc/75/17/86/179751786.db2.gz AMTNGAFVSMIZIF-GFCCVEGCSA-N 1 0 255.431 2.484 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCc2sccc2C1 ZINC000089448578 539716245 /nfs/dbraw/zinc/71/62/45/539716245.db2.gz LUVSQHWLPNYVOB-JQWIXIFHSA-N 1 0 264.394 2.008 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000089448944 539716398 /nfs/dbraw/zinc/71/63/98/539716398.db2.gz QLZHYZKWXXSPRK-YPMHNXCESA-N 1 0 290.363 2.161 10 0 CEAERO Cc1ccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])c(C)c1O ZINC000089453497 539716690 /nfs/dbraw/zinc/71/66/90/539716690.db2.gz NHYHRTPXMKFFKG-RYUDHWBXSA-N 1 0 262.353 2.323 10 0 CEAERO CCn1nc(C)cc1C[C@@](C)(CC)C[NH2+]CCOC ZINC000089206309 179754071 /nfs/dbraw/zinc/75/40/71/179754071.db2.gz BMIUGEULGKVILC-OAHLLOKOSA-N 1 0 267.417 2.406 10 0 CEAERO C[NH2+]C[C@H](Cc1cc(C)nn1C)Cc1cccc(OC)c1 ZINC000089205908 179754091 /nfs/dbraw/zinc/75/40/91/179754091.db2.gz QRIAMIMWTJJNIG-HNNXBMFYSA-N 1 0 287.407 2.358 10 0 CEAERO CCn1nc(C)cc1CN1C[C@H](C)[NH2+]C[C@@]1(C)C1CC1 ZINC000089208915 179754822 /nfs/dbraw/zinc/75/48/22/179754822.db2.gz ALCCSNGEHOFOAQ-BBRMVZONSA-N 1 0 276.428 2.174 10 0 CEAERO Cc1cc(CN2CC(C)(C)[NH2+]C[C@@H]2CC(C)C)n(C)n1 ZINC000089209494 179755199 /nfs/dbraw/zinc/75/51/99/179755199.db2.gz FFYIWEBMKAKTSY-AWEZNQCLSA-N 1 0 278.444 2.327 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@H](C2CC2)CN1Cc1cc(C)nn1C ZINC000089211035 179755622 /nfs/dbraw/zinc/75/56/22/179755622.db2.gz MHIDNHHCPIEEKZ-GDBMZVCRSA-N 1 0 276.428 2.081 10 0 CEAERO CCn1nc(C)cc1CN1C[C@@H](C2CC2)[NH2+]C[C@@H]1C1CC1 ZINC000089211099 179755900 /nfs/dbraw/zinc/75/59/00/179755900.db2.gz QVVNBTZKZMDKFT-DLBZAZTESA-N 1 0 288.439 2.174 10 0 CEAERO CCc1nn(C)c(CN2CCCC[C@@H]2[C@@H](C)[NH3+])c1Cl ZINC000089322836 179769156 /nfs/dbraw/zinc/76/91/56/179769156.db2.gz CKYJROATUKGGSQ-ZYHUDNBSSA-N 1 0 284.835 2.338 10 0 CEAERO CCc1ccccc1CNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089482116 539719964 /nfs/dbraw/zinc/71/99/64/539719964.db2.gz STUKGIOTISKTQU-HIFRSBDPSA-N 1 0 260.381 2.240 10 0 CEAERO CC[NH2+]Cc1cn(Cc2c(Cl)c(CC)nn2C)nc1C ZINC000089333361 179770905 /nfs/dbraw/zinc/77/09/05/179770905.db2.gz TUWQIVUGUHBWDD-UHFFFAOYSA-N 1 0 295.818 2.299 10 0 CEAERO CCc1nn(C)c(CN2CC[NH2+]C[C@@H]2CC(C)C)c1Cl ZINC000089346152 179771503 /nfs/dbraw/zinc/77/15/03/179771503.db2.gz XXGLGEQVCCHGCW-LBPRGKRZSA-N 1 0 298.862 2.456 10 0 CEAERO CCc1nn(CC)c(C[C@](C)(O)[C@H]2CCC[NH2+]C2)c1Cl ZINC000089354277 179772493 /nfs/dbraw/zinc/77/24/93/179772493.db2.gz PHFIRWDMLCRXHH-NHYWBVRUSA-N 1 0 299.846 2.412 10 0 CEAERO CC[NH2+]C[C@@H]1CCCN1Cc1c(Cl)c(C)nn1CC ZINC000089279442 179764518 /nfs/dbraw/zinc/76/45/18/179764518.db2.gz KOKWRIUVCUHNLW-LBPRGKRZSA-N 1 0 284.835 2.439 10 0 CEAERO CCn1nc(C)c(Cl)c1C[C@H]([NH3+])C[C@H]1CCCO1 ZINC000089294539 179766094 /nfs/dbraw/zinc/76/60/94/179766094.db2.gz YEEPDAUJEOTTKY-GHMZBOCLSA-N 1 0 271.792 2.304 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@@H]1C(=O)N(Cc1ccncc1)C1CC1 ZINC000089391041 179778972 /nfs/dbraw/zinc/77/89/72/179778972.db2.gz PEZIKRFFORYQJW-ZBFHGGJFSA-N 1 0 287.407 2.338 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1C(=O)NCC(C1CC1)C1CC1 ZINC000089401533 179782173 /nfs/dbraw/zinc/78/21/73/179782173.db2.gz ZYBXYRMQGHEGSC-KBPBESRZSA-N 1 0 264.413 2.304 10 0 CEAERO CCOc1ccc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])cc1OC ZINC000089452931 179793009 /nfs/dbraw/zinc/79/30/09/179793009.db2.gz RGABTCYMECNLPI-WCQYABFASA-N 1 0 292.379 2.407 10 0 CEAERO CC(=O)Nc1cc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])ccc1F ZINC000089454617 179793317 /nfs/dbraw/zinc/79/33/17/179793317.db2.gz SZDOFLHUMOJZJX-JQWIXIFHSA-N 1 0 293.342 2.098 10 0 CEAERO CCN(Cc1cccs1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089456061 179794330 /nfs/dbraw/zinc/79/43/30/179794330.db2.gz FLZZYCFBIMGNEE-WCQYABFASA-N 1 0 266.410 2.472 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1cccc(F)c1 ZINC000089459602 179795443 /nfs/dbraw/zinc/79/54/43/179795443.db2.gz GQVOWYPPDYKRKS-ZKYQVNSYSA-N 1 0 264.344 2.378 10 0 CEAERO Cc1c(F)cccc1NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089460847 179795805 /nfs/dbraw/zinc/79/58/05/179795805.db2.gz BPIMMUOBLAASLE-QWRGUYRKSA-N 1 0 250.317 2.448 10 0 CEAERO COc1cccc(C(=O)NC[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000089530965 179811155 /nfs/dbraw/zinc/81/11/55/179811155.db2.gz ZGQIWNJCEXVLSC-KBPBESRZSA-N 1 0 276.380 2.190 10 0 CEAERO CC(C)Oc1cncc(NC[C@H]2CCCC[C@H]2C[NH3+])n1 ZINC000089532589 179811935 /nfs/dbraw/zinc/81/19/35/179811935.db2.gz MYLRZYOXJKFQOM-QWHCGFSZSA-N 1 0 278.400 2.441 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1COCC(=O)N1CCCCCC1 ZINC000089535467 179812286 /nfs/dbraw/zinc/81/22/86/179812286.db2.gz XLKHYOLLLZVNTR-GJZGRUSLSA-N 1 0 282.428 2.171 10 0 CEAERO C[C@H](OC[C@H]1CCCC[C@@H]1C[NH3+])C(=O)NC1CCCC1 ZINC000089536136 179812586 /nfs/dbraw/zinc/81/25/86/179812586.db2.gz VBTGSXKIGPCFGF-BFHYXJOUSA-N 1 0 282.428 2.215 10 0 CEAERO COc1cccc(OC[C@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000089537562 179812900 /nfs/dbraw/zinc/81/29/00/179812900.db2.gz WLFIIPZJXQEAHU-VXGBXAGGSA-N 1 0 250.342 2.234 10 0 CEAERO CS(=O)(=O)c1ccc(OC[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000089537451 179812996 /nfs/dbraw/zinc/81/29/96/179812996.db2.gz PUDCWNDKTLSQMJ-STQMWFEESA-N 1 0 297.420 2.234 10 0 CEAERO CCCCCNC(=O)[C@H](C)OC[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089537319 179813094 /nfs/dbraw/zinc/81/30/94/179813094.db2.gz QTRIKYLAYBGELG-MJBXVCDLSA-N 1 0 270.417 2.073 10 0 CEAERO CC(C)Cn1ccnc(OC[C@H]2CCCC[C@H]2C[NH3+])c1=O ZINC000089537844 179813386 /nfs/dbraw/zinc/81/33/86/179813386.db2.gz LTECQMOYAXQPGI-UONOGXRCSA-N 1 0 293.411 2.043 10 0 CEAERO CC(C)(C(=O)NC[C@@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000089500716 179804897 /nfs/dbraw/zinc/80/48/97/179804897.db2.gz RSDWPGZRRFMNHI-KBPBESRZSA-N 1 0 274.408 2.455 10 0 CEAERO Cc1ccc(CCC(=O)NC[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089500223 179804913 /nfs/dbraw/zinc/80/49/13/179804913.db2.gz SIVGUOUJRRTUQU-HZPDHXFCSA-N 1 0 274.408 2.419 10 0 CEAERO OC[C@@H]1CCCC[C@H]1C[NH2+]CCOc1ccccc1 ZINC000089529546 179810418 /nfs/dbraw/zinc/81/04/18/179810418.db2.gz JYGGWGCYOBPDOR-GJZGRUSLSA-N 1 0 263.381 2.454 10 0 CEAERO C[C@@H](NC(=O)C[C@H]1CC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000089741920 539730549 /nfs/dbraw/zinc/73/05/49/539730549.db2.gz XAMULGHKOMBONY-NXEZZACHSA-N 1 0 268.307 2.142 10 0 CEAERO O=C(C[C@H]1CC[NH2+]C1)N1CCC2(CCCC2)CC1 ZINC000089748148 179858839 /nfs/dbraw/zinc/85/88/39/179858839.db2.gz KVURVPAVRNMEIZ-CYBMUJFWSA-N 1 0 250.386 2.169 10 0 CEAERO Cc1cc(NC(=O)C[C@@H]2CC[NH2+]C2)c2ccccc2n1 ZINC000089717527 179854494 /nfs/dbraw/zinc/85/44/94/179854494.db2.gz QRIFEEKROVZWIZ-LBPRGKRZSA-N 1 0 269.348 2.481 10 0 CEAERO [NH3+]C[C@]1(CO)C[C@]12CCc1cc(Br)ccc1C2 ZINC000104355182 185981344 /nfs/dbraw/zinc/98/13/44/185981344.db2.gz VLSQUXRULSFOKS-KGLIPLIRSA-N 1 0 296.208 2.265 10 0 CEAERO O=C1NCCC[C@H]1[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623385883 350006301 /nfs/dbraw/zinc/00/63/01/350006301.db2.gz BNERVXWLNVFOPV-MRVPVSSYSA-N 1 0 278.299 2.135 10 0 CEAERO COc1cccc(Cl)c1CNC(=O)C1CCC([NH3+])CC1 ZINC000234875137 539742476 /nfs/dbraw/zinc/74/24/76/539742476.db2.gz XYUUWQSEXCURPP-UHFFFAOYSA-N 1 0 296.798 2.482 10 0 CEAERO C[NH2+][C@H]1CCC[C@H]1c1nc(-c2cc(C)ccn2)no1 ZINC000104411166 185991985 /nfs/dbraw/zinc/99/19/85/185991985.db2.gz CQKMVHIMGKBIKG-MNOVXSKESA-N 1 0 258.325 2.296 10 0 CEAERO CC1(C)[C@H]2C[NH2+]C[C@H]2CN1C(=O)c1cc2ccccc2[nH]1 ZINC000090335910 179965147 /nfs/dbraw/zinc/96/51/47/179965147.db2.gz QOAKKQSJXDAHGP-STQMWFEESA-N 1 0 283.375 2.238 10 0 CEAERO CC1(C)[C@H]2C[NH2+]C[C@@H]2CN1C(=O)CCCc1ccccc1 ZINC000090336507 179965224 /nfs/dbraw/zinc/96/52/24/179965224.db2.gz DSNHTXFVPGTJND-CVEARBPZSA-N 1 0 286.419 2.466 10 0 CEAERO COC(=O)[C@H](C)C[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000090340269 179967649 /nfs/dbraw/zinc/96/76/49/179967649.db2.gz PDFKKSCRENBNNL-MNOVXSKESA-N 1 0 251.326 2.155 10 0 CEAERO [NH3+]CCCSCC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000090344786 179970317 /nfs/dbraw/zinc/97/03/17/179970317.db2.gz NEGXYGAZMGPOPV-STQMWFEESA-N 1 0 270.442 2.250 10 0 CEAERO C[C@@H](C[NH3+])CSCC(=O)Nc1ccc(F)cc1F ZINC000090349622 179971331 /nfs/dbraw/zinc/97/13/31/179971331.db2.gz ZXRHLOUBCLYVCT-QMMMGPOBSA-N 1 0 274.336 2.231 10 0 CEAERO C[C@H](C[NH3+])CSCC(=O)Nc1cc(F)ccc1F ZINC000090350279 179972114 /nfs/dbraw/zinc/97/21/14/179972114.db2.gz ICVJKTFAPQCWBZ-MRVPVSSYSA-N 1 0 274.336 2.231 10 0 CEAERO CCn1c2ccc(Cl)cc2nc1[C@H]1COC[C@H]1[NH3+] ZINC000090363726 179977825 /nfs/dbraw/zinc/97/78/25/179977825.db2.gz LMBYEDVPBWZPED-VHSXEESVSA-N 1 0 265.744 2.151 10 0 CEAERO C[NH2+][C@@H]1COC[C@@H]1CN1CCCCc2ccccc21 ZINC000090439211 179986430 /nfs/dbraw/zinc/98/64/30/179986430.db2.gz NIACIXOLCQIYPD-LSDHHAIUSA-N 1 0 260.381 2.064 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N[C@@H](C)c1ccc(OC)cc1 ZINC000090310464 179955533 /nfs/dbraw/zinc/95/55/33/179955533.db2.gz VGMMBCUNAIDYRO-NEPJUHHUSA-N 1 0 264.369 2.261 10 0 CEAERO CC[NH2+][C@@H]1COC[C@@H]1c1nc2cnccc2n1C(C)(C)C ZINC000090472914 179989857 /nfs/dbraw/zinc/98/98/57/179989857.db2.gz KUUPAWHIOXGRFY-WCQYABFASA-N 1 0 288.395 2.278 10 0 CEAERO CC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccccc1C(C)C ZINC000090487404 179991201 /nfs/dbraw/zinc/99/12/01/179991201.db2.gz XWUWANLJBNHGCG-UKRRQHHQSA-N 1 0 276.380 2.373 10 0 CEAERO CCCCN(C(=O)[C@H]1COC[C@@H]1[NH2+]CC)c1ccccc1 ZINC000090493029 179991791 /nfs/dbraw/zinc/99/17/91/179991791.db2.gz PMSQWXRZCAWNGV-HOTGVXAUSA-N 1 0 290.407 2.444 10 0 CEAERO CC(C)C1CCC(C[NH2+][C@@H]2CCOC[C@@H]2O)CC1 ZINC000623767420 350107633 /nfs/dbraw/zinc/10/76/33/350107633.db2.gz VPEVNBCENVTIJJ-CVSAEHQPSA-N 1 0 255.402 2.188 10 0 CEAERO CC[NH2+][C@@H]1COC[C@H]1CN1CCCCc2ccccc21 ZINC000090495728 179993921 /nfs/dbraw/zinc/99/39/21/179993921.db2.gz UXCKBORPKWBFBS-HZPDHXFCSA-N 1 0 274.408 2.454 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1c1nncn1C1CCCCC1 ZINC000090534704 179999606 /nfs/dbraw/zinc/99/96/06/179999606.db2.gz IVQXARDUBMUZIG-ZIAGYGMSSA-N 1 0 278.400 2.265 10 0 CEAERO CC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1c(C)cccc1Cl ZINC000090537570 179999785 /nfs/dbraw/zinc/99/97/85/179999785.db2.gz GDJZWWWDXWUQKM-ZYHUDNBSSA-N 1 0 282.771 2.211 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)N(CC)CC(CC)CC ZINC000090540585 180000257 /nfs/dbraw/zinc/00/02/57/180000257.db2.gz BUYIMMZAIDBVQD-HUUCEWRRSA-N 1 0 284.444 2.286 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N(CC)c1cccc(F)c1 ZINC000090544235 180000850 /nfs/dbraw/zinc/00/08/50/180000850.db2.gz NEGMMVCHIVQXNA-LSDHHAIUSA-N 1 0 294.370 2.193 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1CN1Cc2ccccc2C1 ZINC000090566771 180006226 /nfs/dbraw/zinc/00/62/26/180006226.db2.gz PVGPODPMMZZWGO-HOTGVXAUSA-N 1 0 260.381 2.017 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1CN(CCC)CC(F)(F)F ZINC000090566612 180006338 /nfs/dbraw/zinc/00/63/38/180006338.db2.gz CQJXIDBOULWZIF-VXGBXAGGSA-N 1 0 282.350 2.275 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1CN(CC(F)(F)F)C(C)C ZINC000090566616 180006343 /nfs/dbraw/zinc/00/63/43/180006343.db2.gz YEYUNAWKVPJJAA-VXGBXAGGSA-N 1 0 282.350 2.274 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1CN(C)c1ccccc1C ZINC000090566715 180006876 /nfs/dbraw/zinc/00/68/76/180006876.db2.gz OJCSTEAHZRNKSK-GJZGRUSLSA-N 1 0 262.397 2.446 10 0 CEAERO C[C@@]1(c2nc(-c3ccccc3Cl)no2)COC[C@H]1[NH3+] ZINC000090573654 180007783 /nfs/dbraw/zinc/00/77/83/180007783.db2.gz LIBCORRZBFDYBP-ZWNOBZJWSA-N 1 0 279.727 2.005 10 0 CEAERO CCCn1c2ccc(C)cc2nc1[C@]1(C)COC[C@H]1[NH3+] ZINC000090571698 180007941 /nfs/dbraw/zinc/00/79/41/180007941.db2.gz LPGHYFYKFHVKAO-GDBMZVCRSA-N 1 0 273.380 2.370 10 0 CEAERO C[C@@]1(C(=O)Nc2ccc(C(F)(F)F)cc2)COC[C@@H]1[NH3+] ZINC000090580565 180008336 /nfs/dbraw/zinc/00/83/36/180008336.db2.gz IGHGYOCLQOOOMQ-CMPLNLGQSA-N 1 0 288.269 2.008 10 0 CEAERO C[C@]1(C(=O)Nc2ccc(Cl)c(Cl)c2)COC[C@@H]1[NH3+] ZINC000090580688 180008792 /nfs/dbraw/zinc/00/87/92/180008792.db2.gz IMGNWEYXABNRFY-JQWIXIFHSA-N 1 0 289.162 2.296 10 0 CEAERO CC(C)COc1cccc(NC(=O)[C@]2(C)COC[C@H]2[NH3+])c1 ZINC000090589875 180010210 /nfs/dbraw/zinc/01/02/10/180010210.db2.gz RHLBXCPZFZPYQT-GDBMZVCRSA-N 1 0 292.379 2.024 10 0 CEAERO CCOc1ccc(Cl)cc1NC(=O)[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090590095 180010305 /nfs/dbraw/zinc/01/03/05/180010305.db2.gz QNAHQVUNWSKIJK-JSGCOSHPSA-N 1 0 298.770 2.041 10 0 CEAERO C[C@H](c1cccc(Cl)c1)N(C)C(=O)[C@]1(C)COC[C@@H]1[NH3+] ZINC000090595913 180010398 /nfs/dbraw/zinc/01/03/98/180010398.db2.gz NGKXLHBDJBFWHH-RIEGTJTDSA-N 1 0 296.798 2.223 10 0 CEAERO CCOc1ccc(NC(=O)[C@@]2(C)COC[C@H]2[NH3+])cc1Cl ZINC000090589802 180010517 /nfs/dbraw/zinc/01/05/17/180010517.db2.gz NEEXEJCGBJTZCB-OCCSQVGLSA-N 1 0 298.770 2.041 10 0 CEAERO Cc1cc(C)c(C(N)=[NH2+])c(O[C@@H](C)C(F)(F)F)n1 ZINC000090673164 180021057 /nfs/dbraw/zinc/02/10/57/180021057.db2.gz IKEWUDHSJMVRFI-ZETCQYMHSA-N 1 0 261.247 2.312 10 0 CEAERO C[C@H](O[C@H]1COc2ccccc2[C@@H]1[NH3+])C(F)(F)F ZINC000090672518 180021177 /nfs/dbraw/zinc/02/11/77/180021177.db2.gz HQVAIUCKRHGMGM-SWPVVBRQSA-N 1 0 261.243 2.415 10 0 CEAERO COC(=O)[C@@](C)([NH3+])CCCCO[C@H](C)C(F)(F)F ZINC000090674505 180021781 /nfs/dbraw/zinc/02/17/81/180021781.db2.gz VXCCSZGWNHQKTJ-SCZZXKLOSA-N 1 0 271.279 2.015 10 0 CEAERO CCOCCCC[NH2+]CCO[C@H](C)C(F)(F)F ZINC000090675753 180022395 /nfs/dbraw/zinc/02/23/95/180022395.db2.gz QZGYHDUXFYNMHL-SNVBAGLBSA-N 1 0 257.296 2.360 10 0 CEAERO CCC1CCC([NH2+]C[C@H]2CN(CC)CCO2)CC1 ZINC000090715093 180029186 /nfs/dbraw/zinc/02/91/86/180029186.db2.gz OOVOHZBMLGJRRU-NRXISQOPSA-N 1 0 254.418 2.266 10 0 CEAERO CC(C)NC(=O)N1CCCSC[C@@H]1C[NH+]1CCCC1 ZINC000090700974 180027923 /nfs/dbraw/zinc/02/79/23/180027923.db2.gz IEYIXLRWSZGTQZ-ZDUSSCGKSA-N 1 0 285.457 2.008 10 0 CEAERO OC[C@@H]1C[C@]1(C[NH2+]Cc1ccccc1)c1cccnc1 ZINC000090727714 180033106 /nfs/dbraw/zinc/03/31/06/180033106.db2.gz JAVPOAKAVXEKRB-IRXDYDNUSA-N 1 0 268.360 2.121 10 0 CEAERO COC(=O)c1cc(NCC[N@H+](C)C2CCCC2)ccn1 ZINC000090738182 180034233 /nfs/dbraw/zinc/03/42/33/180034233.db2.gz MRZWWRABTKRLGE-UHFFFAOYSA-N 1 0 277.368 2.155 10 0 CEAERO CCC[NH+]1CCC(Nc2ccnc(C(=O)OC)c2)CC1 ZINC000090737747 180034374 /nfs/dbraw/zinc/03/43/74/180034374.db2.gz DBKBDYGIQYNEMA-UHFFFAOYSA-N 1 0 277.368 2.155 10 0 CEAERO CCCOc1cc(N(CC[NH3+])C2CCCCC2)ncn1 ZINC000090785697 180040058 /nfs/dbraw/zinc/04/00/58/180040058.db2.gz FWWCLUOLQHMDIL-UHFFFAOYSA-N 1 0 278.400 2.363 10 0 CEAERO CCOc1cc(N2CCC[C@H]2C[NH2+]CC(C)C)ncn1 ZINC000090784608 180040070 /nfs/dbraw/zinc/04/00/70/180040070.db2.gz SDNFBYOPROYLNT-ZDUSSCGKSA-N 1 0 278.400 2.090 10 0 CEAERO CC(C)Oc1cc(N(CC[NH3+])Cc2ccccc2)ncn1 ZINC000090785996 180040097 /nfs/dbraw/zinc/04/00/97/180040097.db2.gz NWKICCBXXZVZEV-UHFFFAOYSA-N 1 0 286.379 2.229 10 0 CEAERO CCCn1c2ccncc2nc1-c1csc(C[NH3+])n1 ZINC000090932872 180066745 /nfs/dbraw/zinc/06/67/45/180066745.db2.gz UGZYOJXHCUXVPM-UHFFFAOYSA-N 1 0 273.365 2.424 10 0 CEAERO CC(C)Oc1cc(OC[C@@H]2CCCC[C@H]2C[NH3+])ncn1 ZINC000090786355 180040462 /nfs/dbraw/zinc/04/04/62/180040462.db2.gz ZJFBHELWKVEJBH-STQMWFEESA-N 1 0 279.384 2.408 10 0 CEAERO CC(C)[NH2+]CCCOc1cc(OC(C)C)ncn1 ZINC000090786326 180040467 /nfs/dbraw/zinc/04/04/67/180040467.db2.gz KHMWLSCLNIFCSK-UHFFFAOYSA-N 1 0 253.346 2.031 10 0 CEAERO COc1cc(N[C@]2(C[NH3+])CCC[C@@H](C)C2)nc(C)n1 ZINC000090787499 180040828 /nfs/dbraw/zinc/04/08/28/180040828.db2.gz XFVKRNXJGPFCDE-QMTHXVAHSA-N 1 0 264.373 2.113 10 0 CEAERO Cc1nnc(Sc2ccc(C[C@@H](C)[NH3+])cc2F)n1C ZINC000104445805 186004995 /nfs/dbraw/zinc/00/49/95/186004995.db2.gz SCXZBLOSJMMOMS-MRVPVSSYSA-N 1 0 280.372 2.304 10 0 CEAERO COc1ncnc(NCc2ccc(C[NH3+])cc2F)c1C ZINC000090788718 180041463 /nfs/dbraw/zinc/04/14/63/180041463.db2.gz ZRDHDMUCERTLSJ-UHFFFAOYSA-N 1 0 276.315 2.004 10 0 CEAERO CCOc1cc(N[C@@H]2c3ccccc3C[C@H]2[NH3+])nc(C)n1 ZINC000090788394 180041504 /nfs/dbraw/zinc/04/15/04/180041504.db2.gz ZGYCXCQVAXXMPM-CZUORRHYSA-N 1 0 284.363 2.220 10 0 CEAERO CCOc1ncnc(NC[C@@H]2CC[N@@H+](C(C)C)C2)c1C ZINC000090790936 180041834 /nfs/dbraw/zinc/04/18/34/180041834.db2.gz FMINCOOXUCSNPF-ZDUSSCGKSA-N 1 0 278.400 2.326 10 0 CEAERO CCCN(c1ncnc(OCC)c1C)[C@H]1CCC[NH2+]C1 ZINC000090789647 180042097 /nfs/dbraw/zinc/04/20/97/180042097.db2.gz BTNCTCSXIWIBBZ-ZDUSSCGKSA-N 1 0 278.400 2.152 10 0 CEAERO COc1cc(NC[C@H](C)[NH+]2CCCCC2)nc(C)n1 ZINC000090791946 180042508 /nfs/dbraw/zinc/04/25/08/180042508.db2.gz WWYNEXCRAHBTFB-NSHDSACASA-N 1 0 264.373 2.080 10 0 CEAERO COc1ncnc(NCCCC[N@H+](C)C(C)C)c1C ZINC000090791228 180042688 /nfs/dbraw/zinc/04/26/88/180042688.db2.gz UNNZSLWEDAXTSC-UHFFFAOYSA-N 1 0 266.389 2.326 10 0 CEAERO COc1ncnc(N[C@@H](CC(C)C)C[NH+](C)C)c1C ZINC000090791116 180042723 /nfs/dbraw/zinc/04/27/23/180042723.db2.gz NYQSQGGNNWCXNK-LBPRGKRZSA-N 1 0 266.389 2.182 10 0 CEAERO CCOc1cc(N[C@H]2CCC[N@H+](CC)C2)nc(C)n1 ZINC000090792010 180042906 /nfs/dbraw/zinc/04/29/06/180042906.db2.gz YUMDKKITQBTVIT-LBPRGKRZSA-N 1 0 264.373 2.080 10 0 CEAERO CCOc1ncnc(NC[C@H](C)C[NH+]2CCCC2)c1C ZINC000090791370 180042975 /nfs/dbraw/zinc/04/29/75/180042975.db2.gz IRPFXNFOIUSBPW-LBPRGKRZSA-N 1 0 278.400 2.328 10 0 CEAERO COc1cc(NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nc(C)n1 ZINC000090791943 180043079 /nfs/dbraw/zinc/04/30/79/180043079.db2.gz UTIWUGALPQZDQE-YHWZYXNKSA-N 1 0 276.384 2.078 10 0 CEAERO C[C@H](CCc1ccccc1)[NH2+]C[C@H](C)[S@](C)=O ZINC000090841650 180043621 /nfs/dbraw/zinc/04/36/21/180043621.db2.gz OHIKMUIIGMMOPX-IIYDPXPESA-N 1 0 253.411 2.364 10 0 CEAERO COc1cc([C@H](C)[NH2+]C[C@H](C)[S@](C)=O)ccc1F ZINC000090841811 180043660 /nfs/dbraw/zinc/04/36/60/180043660.db2.gz LQZLXEJWWZLQAN-LXIMFEHMSA-N 1 0 273.373 2.252 10 0 CEAERO C[NH2+][C@@H]1C[C@@H](OC[C@@H]2CCCO2)C12CCCCC2 ZINC000090856693 180047046 /nfs/dbraw/zinc/04/70/46/180047046.db2.gz JEHOGUMVRLSFTB-BFHYXJOUSA-N 1 0 253.386 2.493 10 0 CEAERO CCNC(=O)[C@@H](C)Sc1cccc(C[NH2+]C)c1 ZINC000090870745 180049229 /nfs/dbraw/zinc/04/92/29/180049229.db2.gz LHEVRPDGQKRIEV-SNVBAGLBSA-N 1 0 252.383 2.023 10 0 CEAERO c1ccc2c(c1)nsc2NCCCN1CC[NH2+]CC1 ZINC000090869313 180049458 /nfs/dbraw/zinc/04/94/58/180049458.db2.gz CIKDJEZJWWYMGE-UHFFFAOYSA-N 1 0 276.409 2.004 10 0 CEAERO CC(C)C[C@@](C)(O)C[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000090874817 180050952 /nfs/dbraw/zinc/05/09/52/180050952.db2.gz BDCYUZXYPCAYLB-GDBMZVCRSA-N 1 0 263.381 2.377 10 0 CEAERO CC[NH2+]C[C@@H]1CCCN1C[C@@H]1Cc2ccccc2O1 ZINC000090875354 180050961 /nfs/dbraw/zinc/05/09/61/180050961.db2.gz RWSRGHBTPXPQRN-GJZGRUSLSA-N 1 0 260.381 2.064 10 0 CEAERO C[NH2+]C[C@@H]1CCCCN1C[C@@H]1Cc2ccccc2O1 ZINC000090875332 180051165 /nfs/dbraw/zinc/05/11/65/180051165.db2.gz QJHVDDRGEXRLGH-GJZGRUSLSA-N 1 0 260.381 2.064 10 0 CEAERO COc1cc(C[NH2+]C[C@H]2Cc3ccccc3O2)ccn1 ZINC000090874609 180051249 /nfs/dbraw/zinc/05/12/49/180051249.db2.gz XUYWRHJSIRHIFF-CQSZACIVSA-N 1 0 270.332 2.184 10 0 CEAERO NC(=[NH2+])c1ccc(OC[C@H]2Cc3ccccc3O2)cc1 ZINC000090875236 180051282 /nfs/dbraw/zinc/05/12/82/180051282.db2.gz PUJSBOLAPSGKEK-CQSZACIVSA-N 1 0 268.316 2.353 10 0 CEAERO COCC[NH2+]CC1(C[C@H]2Cc3ccccc3O2)CC1 ZINC000090877391 180051688 /nfs/dbraw/zinc/05/16/88/180051688.db2.gz GNMLMFKOIGBTKD-CQSZACIVSA-N 1 0 261.365 2.396 10 0 CEAERO CC1(C)CN(C[C@H]2Cc3ccccc3O2)C(C)(C)C[NH2+]1 ZINC000090878305 180052116 /nfs/dbraw/zinc/05/21/16/180052116.db2.gz WVYRREKHVGJKJW-CQSZACIVSA-N 1 0 274.408 2.453 10 0 CEAERO C[C@H](C[NH3+])CSC[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893454 180054758 /nfs/dbraw/zinc/05/47/58/180054758.db2.gz YQUWOZBWGKDWKA-SKDRFNHKSA-N 1 0 255.358 2.457 10 0 CEAERO C[C@@H]1CC[C@H](OC[C@@H]2Cc3cc(F)ccc3O2)C[NH2+]1 ZINC000090893577 180054820 /nfs/dbraw/zinc/05/48/20/180054820.db2.gz VBMPXHAULQYPNP-SWHYSGLUSA-N 1 0 265.328 2.286 10 0 CEAERO COC[C@@H](C)C[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892617 180055043 /nfs/dbraw/zinc/05/50/43/180055043.db2.gz RCALIXOQCAEKLC-GWCFXTLKSA-N 1 0 253.317 2.001 10 0 CEAERO OC[C@H]([NH2+]C[C@H]1Cc2cc(F)ccc2O1)c1ccccc1 ZINC000090892762 180055519 /nfs/dbraw/zinc/05/55/19/180055519.db2.gz JMAMEOCRSIRQRV-CVEARBPZSA-N 1 0 287.334 2.452 10 0 CEAERO C[NH2+][C@@H](CC[C@@H]1Cc2cc(F)ccc2O1)COC ZINC000090893989 180055672 /nfs/dbraw/zinc/05/56/72/180055672.db2.gz URVJQOAHBFZIBO-QWHCGFSZSA-N 1 0 253.317 2.144 10 0 CEAERO COc1ncccc1C[NH2+]C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090897441 180056697 /nfs/dbraw/zinc/05/66/97/180056697.db2.gz HEWSQACWPNSYAF-HNNXBMFYSA-N 1 0 284.359 2.492 10 0 CEAERO CC[N@H+](CCC(N)=S)C[C@H]1Cc2cc(C)ccc2O1 ZINC000090898415 180057931 /nfs/dbraw/zinc/05/79/31/180057931.db2.gz MGGOEMSIBJEKTH-CYBMUJFWSA-N 1 0 278.421 2.297 10 0 CEAERO C[NH2+]C[C@@]1(C[C@@H]2Cc3cc(C)ccc3O2)CCOC1 ZINC000090901488 180058597 /nfs/dbraw/zinc/05/85/97/180058597.db2.gz FMKWIKACCVXNKC-HOCLYGCPSA-N 1 0 261.365 2.315 10 0 CEAERO C[NH2+]C[C@]1(C[C@H]2Cc3cc(C)ccc3O2)CCOC1 ZINC000090901489 180058946 /nfs/dbraw/zinc/05/89/46/180058946.db2.gz FMKWIKACCVXNKC-GDBMZVCRSA-N 1 0 261.365 2.315 10 0 CEAERO CC[C@@H]([NH3+])Cc1nccn1C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090901598 180059132 /nfs/dbraw/zinc/05/91/32/180059132.db2.gz CHBDCKXZAYMWSO-CABCVRRESA-N 1 0 285.391 2.475 10 0 CEAERO CC[C@@H](CO)[NH2+]C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090903525 180060122 /nfs/dbraw/zinc/06/01/22/180060122.db2.gz YAEKJGYWTYRMEN-RYUDHWBXSA-N 1 0 255.745 2.004 10 0 CEAERO [NH3+]C[C@H](c1ccc(Cl)c(F)c1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905714 180060502 /nfs/dbraw/zinc/06/05/02/180060502.db2.gz JWGSDHXTFVGADL-UHIISALHSA-N 1 0 284.762 2.342 10 0 CEAERO [NH3+]C[C@@]1(N2C[C@H]3CC[C@@H](C2)O3)CCCc2ccccc21 ZINC000090905909 180060685 /nfs/dbraw/zinc/06/06/85/180060685.db2.gz PCDWOUAIZYPXBV-UXLLHSPISA-N 1 0 272.392 2.040 10 0 CEAERO CCc1ccc([C@@H](O)CN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090906986 180060931 /nfs/dbraw/zinc/06/09/31/180060931.db2.gz IOBGEILIJDEYCI-XHSDSOJGSA-N 1 0 261.365 2.146 10 0 CEAERO Cc1ccc(C)c([C@@H]([NH3+])CN2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000090906068 180061251 /nfs/dbraw/zinc/06/12/51/180061251.db2.gz XTGZAYLOWUVZFF-LZWOXQAQSA-N 1 0 260.381 2.166 10 0 CEAERO C[C@@H]([NH3+])c1nc(-c2nc3ccccc3n2CCO)cs1 ZINC000090934735 180067632 /nfs/dbraw/zinc/06/76/32/180067632.db2.gz JLUOEXSHTOFWKB-SECBINFHSA-N 1 0 288.376 2.172 10 0 CEAERO [NH3+]CCc1nc(CN2Cc3ccccc3C2)cs1 ZINC000090958518 180074537 /nfs/dbraw/zinc/07/45/37/180074537.db2.gz GYGYQCUGKKEFAW-UHFFFAOYSA-N 1 0 259.378 2.160 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+]C[C@H]1CCCCO1 ZINC000090960479 180075320 /nfs/dbraw/zinc/07/53/20/180075320.db2.gz MKLDBVOAJPPULW-LLVKDONJSA-N 1 0 268.382 2.365 10 0 CEAERO CC[N@@H+]1CC[C@H](CNCc2sccc2NC(C)=O)C1 ZINC000090960157 180075366 /nfs/dbraw/zinc/07/53/66/180075366.db2.gz FVDPWPDHEMWRGV-GFCCVEGCSA-N 1 0 281.425 2.138 10 0 CEAERO C[NH2+]CCCc1nnc([C@H]2Cc3ccccc32)s1 ZINC000090991942 180081289 /nfs/dbraw/zinc/08/12/89/180081289.db2.gz CPJMLKUKYAQPGO-LBPRGKRZSA-N 1 0 259.378 2.378 10 0 CEAERO CCC[NH2+][C@H]1CCCN(C[C@H]2Cc3ccccc32)C1=O ZINC000090993384 180082242 /nfs/dbraw/zinc/08/22/42/180082242.db2.gz RNOIGDUDVVVVLN-ZBFHGGJFSA-N 1 0 272.392 2.317 10 0 CEAERO CCc1nnc(Cn2cc(C[NH2+]C)c3ccccc32)o1 ZINC000090995283 180082752 /nfs/dbraw/zinc/08/27/52/180082752.db2.gz DRZHVEZXGYMNDH-UHFFFAOYSA-N 1 0 270.336 2.354 10 0 CEAERO CNC(=O)CCCn1cc(C[NH2+]C2CC2)c2ccccc21 ZINC000090995558 180082895 /nfs/dbraw/zinc/08/28/95/180082895.db2.gz OLVATEFZEDDARB-UHFFFAOYSA-N 1 0 285.391 2.420 10 0 CEAERO CCN(C(=O)Cn1cccc1C[NH2+]CC(C)C)C1CC1 ZINC000091001885 180083178 /nfs/dbraw/zinc/08/31/78/180083178.db2.gz ZXXFXVFNTKHRFP-UHFFFAOYSA-N 1 0 277.412 2.245 10 0 CEAERO CCCCOCCn1ccnc1C[NH2+]CC(C)C ZINC000091002788 180083967 /nfs/dbraw/zinc/08/39/67/180083967.db2.gz WZNDRFVCHUCUGN-UHFFFAOYSA-N 1 0 253.390 2.445 10 0 CEAERO CCC[C@H](C)NC(=O)Cn1ccc(C[NH2+]C(C)C)c1 ZINC000091003608 180083991 /nfs/dbraw/zinc/08/39/91/180083991.db2.gz SMZNIXPJXYAGOZ-ZDUSSCGKSA-N 1 0 265.401 2.291 10 0 CEAERO [NH3+]CCc1ccn(C[C@@H]2OCCc3ccccc32)c1 ZINC000091004803 180084011 /nfs/dbraw/zinc/08/40/11/180084011.db2.gz KDSAUYWHHBOVMD-INIZCTEOSA-N 1 0 256.349 2.303 10 0 CEAERO Cc1nn(CCC(=O)NC(C)C)c(C)c1C[NH2+]CC(C)C ZINC000091002256 180084080 /nfs/dbraw/zinc/08/40/80/180084080.db2.gz BBUICYOTEUVWDG-UHFFFAOYSA-N 1 0 294.443 2.160 10 0 CEAERO COc1ccc(OCCn2cccc2C[C@H](C)[NH3+])cc1 ZINC000091005263 180084655 /nfs/dbraw/zinc/08/46/55/180084655.db2.gz WKYLXHIMAKOBGS-ZDUSSCGKSA-N 1 0 274.364 2.465 10 0 CEAERO C[C@@H]([NH3+])Cc1cccn1CCCOCC(F)(F)F ZINC000091005412 180084681 /nfs/dbraw/zinc/08/46/81/180084681.db2.gz CDQAEMRXRLKOQF-SNVBAGLBSA-N 1 0 264.291 2.347 10 0 CEAERO CCCn1ccc(C[NH2+][C@H](C)C(=O)N(CC)CC)c1 ZINC000091011823 180085871 /nfs/dbraw/zinc/08/58/71/180085871.db2.gz FEGPTYJWZSLAMR-CYBMUJFWSA-N 1 0 265.401 2.245 10 0 CEAERO C[NH2+]Cc1cn(CCOC(F)(F)F)c2ncccc12 ZINC000091019468 180087729 /nfs/dbraw/zinc/08/77/29/180087729.db2.gz HULUECIAYYJVCF-UHFFFAOYSA-N 1 0 273.258 2.292 10 0 CEAERO CCC[NH2+]Cc1cn(Cc2cncn2C)c2ncccc12 ZINC000091020232 180088037 /nfs/dbraw/zinc/08/80/37/180088037.db2.gz JTFYTPOTJOXGKU-UHFFFAOYSA-N 1 0 283.379 2.318 10 0 CEAERO CCC[NH2+]Cc1cn(Cc2cnn(C)c2)c2ncccc12 ZINC000091020384 180088120 /nfs/dbraw/zinc/08/81/20/180088120.db2.gz QEMVTRQQARIRAQ-UHFFFAOYSA-N 1 0 283.379 2.318 10 0 CEAERO CCCCNC(=O)Cn1cc(C[NH2+]CC)c2cccnc21 ZINC000091020173 180088283 /nfs/dbraw/zinc/08/82/83/180088283.db2.gz ODVOXGHVBCGMMZ-UHFFFAOYSA-N 1 0 288.395 2.062 10 0 CEAERO COCC[NH2+]Cc1cn(C(F)F)c2ncccc12 ZINC000091021201 180088895 /nfs/dbraw/zinc/08/88/95/180088895.db2.gz QPOZFOBZGFCMIK-UHFFFAOYSA-N 1 0 255.268 2.167 10 0 CEAERO C[C@H]([NH3+])Cc1cn(Cc2cccnc2)c2ncccc12 ZINC000091021769 180088928 /nfs/dbraw/zinc/08/89/28/180088928.db2.gz OLRDWZXVWRSKRR-LBPRGKRZSA-N 1 0 266.348 2.369 10 0 CEAERO [NH3+]CCc1nc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)cs1 ZINC000090947539 180070603 /nfs/dbraw/zinc/07/06/03/180070603.db2.gz SDWGRGOFAYQXIP-NWDGAFQWSA-N 1 0 293.436 2.297 10 0 CEAERO CC(C)n1c(C[C@H]2CSCC[NH2+]2)nc2cnccc21 ZINC000091128705 180100150 /nfs/dbraw/zinc/10/01/50/180100150.db2.gz NASXUEGIODOGBZ-NSHDSACASA-N 1 0 276.409 2.260 10 0 CEAERO CCn1c(C[C@H]2CSCC[NH2+]2)nc2ccc(F)cc21 ZINC000091128657 180100470 /nfs/dbraw/zinc/10/04/70/180100470.db2.gz NTIOZRLFSDYLGY-NSHDSACASA-N 1 0 279.384 2.443 10 0 CEAERO CC(C)NC(=O)C[C@H](C[NH3+])N(Cc1cccs1)C(C)C ZINC000091318498 180133799 /nfs/dbraw/zinc/13/37/99/180133799.db2.gz VUOQPQHUAOFICL-CYBMUJFWSA-N 1 0 297.468 2.201 10 0 CEAERO CC(C)(C)[NH2+]CC(=O)N1CCC(C(F)(F)F)CC1 ZINC000091326599 180135042 /nfs/dbraw/zinc/13/50/42/180135042.db2.gz FYVIQBNOJZWWMZ-UHFFFAOYSA-N 1 0 266.307 2.175 10 0 CEAERO C[N@H+](CC1CCCCC1)[C@H](CN)CC(=O)N1CCCCC1 ZINC000091325295 180135118 /nfs/dbraw/zinc/13/51/18/180135118.db2.gz KLAVJESMEAAGMN-INIZCTEOSA-N 1 0 295.471 2.228 10 0 CEAERO C[C@H](O)[C@](C[NH3+])(CC[C@@H]1CCCO1)c1ccccc1 ZINC000091327628 180135827 /nfs/dbraw/zinc/13/58/27/180135827.db2.gz ACXWEEOBJUCFLC-CWRNSKLLSA-N 1 0 263.381 2.223 10 0 CEAERO Cc1nc(C[C@](C[NH3+])(c2ccccc2)[C@@H](C)O)cs1 ZINC000091327769 180135943 /nfs/dbraw/zinc/13/59/43/180135943.db2.gz QKWOTDCOFSZIHE-IAQYHMDHSA-N 1 0 276.405 2.272 10 0 CEAERO COCC[NH2+]Cc1cnn(-c2ccccc2)c1C1CC1 ZINC000091335016 180136390 /nfs/dbraw/zinc/13/63/90/180136390.db2.gz AZUCVUQXTLKSDH-UHFFFAOYSA-N 1 0 271.364 2.486 10 0 CEAERO CCCc1c(C[NH2+]CCOC)cnn1CC(C)C ZINC000091336461 180136548 /nfs/dbraw/zinc/13/65/48/180136548.db2.gz BBMNADREFATFES-UHFFFAOYSA-N 1 0 253.390 2.228 10 0 CEAERO CC(C)[C@H](C)NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091359275 180140432 /nfs/dbraw/zinc/14/04/32/180140432.db2.gz CUZOPYWIAAMGES-XUXIUFHCSA-N 1 0 252.402 2.458 10 0 CEAERO COCCN(C[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)C1CC1 ZINC000091362525 180141820 /nfs/dbraw/zinc/14/18/20/180141820.db2.gz UJZHORMEOWGUCR-DZKIICNBSA-N 1 0 266.429 2.408 10 0 CEAERO COc1ccccc1[C@H](C[NH3+])S[C@H](C)CCO ZINC000091262575 180116450 /nfs/dbraw/zinc/11/64/50/180116450.db2.gz MSSOAUWPYXYYLU-MFKMUULPSA-N 1 0 255.383 2.199 10 0 CEAERO CC[NH2+]Cc1c(S[C@@H](C)CCO)nc2ccccn21 ZINC000091268228 180117159 /nfs/dbraw/zinc/11/71/59/180117159.db2.gz GLDAWJNBSWFOJN-NSHDSACASA-N 1 0 279.409 2.307 10 0 CEAERO CC(C)n1cncc1[C@H](O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000091273573 180117914 /nfs/dbraw/zinc/11/79/14/180117914.db2.gz XLGPPWHVCDGASN-CVEARBPZSA-N 1 0 271.364 2.384 10 0 CEAERO CC[NH2+]C[C@H]1CCCN(C)[C@@H]1c1cncn1C1CC1 ZINC000091275398 180118717 /nfs/dbraw/zinc/11/87/17/180118717.db2.gz CIRGXZVVJWHOHX-DOMZBBRYSA-N 1 0 262.401 2.210 10 0 CEAERO CC(C)CCN(C)[C@H](C[NH3+])c1cncn1C1CC1 ZINC000091276346 180119880 /nfs/dbraw/zinc/11/98/80/180119880.db2.gz XJWFNBWFKWIUMH-CYBMUJFWSA-N 1 0 250.390 2.196 10 0 CEAERO CCC[NH2+][C@@H]1COc2cc(OCc3cncn3C)ccc21 ZINC000091278470 180121058 /nfs/dbraw/zinc/12/10/58/180121058.db2.gz FNVNZUYUUCCMBB-OAHLLOKOSA-N 1 0 287.363 2.432 10 0 CEAERO CN(CC[C@@H]1CSCC[NH2+]1)c1ccc(F)cc1 ZINC000091292211 180123586 /nfs/dbraw/zinc/12/35/86/180123586.db2.gz YAYQBUJXHCYYFG-GFCCVEGCSA-N 1 0 254.374 2.357 10 0 CEAERO Fc1ccc(-c2noc(C[C@@H]3C[NH2+]CCO3)n2)cc1Cl ZINC000091295111 180124684 /nfs/dbraw/zinc/12/46/84/180124684.db2.gz QAVUQMSKVRFLEL-SECBINFHSA-N 1 0 297.717 2.060 10 0 CEAERO Fc1ccc(-c2noc(C[C@H]3C[NH2+]CCO3)n2)c(Cl)c1 ZINC000091295102 180124753 /nfs/dbraw/zinc/12/47/53/180124753.db2.gz JRQCCHVNUJYOAC-VIFPVBQESA-N 1 0 297.717 2.060 10 0 CEAERO C[C@@H](C[NH+]1CCCC1)n1c(=O)c2ccccc2[n-]c1=S ZINC000104921539 186031624 /nfs/dbraw/zinc/03/16/24/186031624.db2.gz FYBWMNBYQKZFGO-NSHDSACASA-N 1 0 289.404 2.342 10 0 CEAERO C[C@@H]([NH3+])c1cc(F)ccc1N(C)CC1CC(O)C1 ZINC000091451356 180158652 /nfs/dbraw/zinc/15/86/52/180158652.db2.gz YKPSZIZZKQRHGG-GRZMOONWSA-N 1 0 252.333 2.053 10 0 CEAERO CCc1nn(CC)c(COC2CC([NH3+])C2)c1Cl ZINC000091451796 180159002 /nfs/dbraw/zinc/15/90/02/180159002.db2.gz UEALJPWJZHEONB-UHFFFAOYSA-N 1 0 257.765 2.125 10 0 CEAERO [NH3+]C1CC(Oc2c(F)c(F)c(F)c(F)c2F)C1 ZINC000091450803 180159084 /nfs/dbraw/zinc/15/90/84/180159084.db2.gz FHJKUDYCPXOEFT-UHFFFAOYSA-N 1 0 253.170 2.251 10 0 CEAERO O=C(c1ccncc1Cl)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000091456902 180160302 /nfs/dbraw/zinc/16/03/02/180160302.db2.gz CSXTWHFCXCFENN-ZIAGYGMSSA-N 1 0 293.798 2.482 10 0 CEAERO Cc1sc2ncnc(OC3CC(C[NH3+])C3)c2c1C ZINC000091461545 180161374 /nfs/dbraw/zinc/16/13/74/180161374.db2.gz DGZLNFUFDQYBBX-UHFFFAOYSA-N 1 0 263.366 2.424 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccc(F)cc1)N(C)CC1CC(O)C1 ZINC000091461682 180161846 /nfs/dbraw/zinc/16/18/46/180161846.db2.gz XGMNXUDPUHVHGG-UCSXMVFBSA-N 1 0 280.387 2.307 10 0 CEAERO CCC[NH2+]CC[C@@](C)(O)c1ccc2c(c1)OCCO2 ZINC000091465393 180163551 /nfs/dbraw/zinc/16/35/51/180163551.db2.gz RBVPSUUNXANPKV-OAHLLOKOSA-N 1 0 265.353 2.055 10 0 CEAERO CCC[NH2+]C[C@H](O)Cc1ccn(C(CC)CC)n1 ZINC000091465915 180163770 /nfs/dbraw/zinc/16/37/70/180163770.db2.gz SJJXXSNZEDDKRO-CQSZACIVSA-N 1 0 253.390 2.147 10 0 CEAERO CCOc1ccc([C@@](C)(O)CC[NH2+]C)cc1OCC ZINC000091467105 180164269 /nfs/dbraw/zinc/16/42/69/180164269.db2.gz SQDQNHGRXZZCAW-HNNXBMFYSA-N 1 0 267.369 2.301 10 0 CEAERO COc1ccc([C@](C)(O)CC[NH2+]C(C)C)c(OC)c1 ZINC000091467804 180164352 /nfs/dbraw/zinc/16/43/52/180164352.db2.gz YDSGBPDKQQXQQN-OAHLLOKOSA-N 1 0 267.369 2.299 10 0 CEAERO Cc1ccc(C(F)(F)F)cc1NC(=O)[C@]1([NH3+])CCOC1 ZINC000091480002 180166553 /nfs/dbraw/zinc/16/65/53/180166553.db2.gz OMVOWRKRSFZRLI-LBPRGKRZSA-N 1 0 288.269 2.070 10 0 CEAERO CC[C@@H](C)[C@@H](C(=O)N1CC(C[NH3+])C1)c1ccccc1 ZINC000091488028 180167984 /nfs/dbraw/zinc/16/79/84/180167984.db2.gz KNWIEARZMMQSNX-IUODEOHRSA-N 1 0 260.381 2.233 10 0 CEAERO Cc1ncccc1NC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000091496140 180171405 /nfs/dbraw/zinc/17/14/05/180171405.db2.gz VNRAWJWFTDLXPU-CYBMUJFWSA-N 1 0 255.321 2.071 10 0 CEAERO CCC[NH2+][C@H]([C@H](C)c1ccccn1)C(C)(C)S(C)(=O)=O ZINC000091383454 180143993 /nfs/dbraw/zinc/14/39/93/180143993.db2.gz NIPQURVMXNWOKW-TZMCWYRMSA-N 1 0 298.452 2.377 10 0 CEAERO C[NH+](C)[C@H]1CCCN(Cc2ccc(N)c3cccnc23)C1 ZINC000091391936 180144887 /nfs/dbraw/zinc/14/48/87/180144887.db2.gz FEBWGHXWTYWEMZ-AWEZNQCLSA-N 1 0 284.407 2.343 10 0 CEAERO COc1ccc(C=O)cc1CN1CCC[C@H]([NH+](C)C)C1 ZINC000091392114 180144898 /nfs/dbraw/zinc/14/48/98/180144898.db2.gz QODGNPQRSYYADV-HNNXBMFYSA-N 1 0 276.380 2.034 10 0 CEAERO O=C(Nc1ccccc1SC(F)(F)F)C1C[NH2+]C1 ZINC000091395797 180146563 /nfs/dbraw/zinc/14/65/63/180146563.db2.gz KSUYJRACNAJSPH-UHFFFAOYSA-N 1 0 276.283 2.456 10 0 CEAERO CCC[NH2+]Cc1cncc(N(C)CCC(C)C)n1 ZINC000091420559 180150583 /nfs/dbraw/zinc/15/05/83/180150583.db2.gz ZUTSHFHMBNFTQX-UHFFFAOYSA-N 1 0 250.390 2.459 10 0 CEAERO CN(Cc1ccccc1Cl)c1cncc(C[NH3+])n1 ZINC000091421031 180150698 /nfs/dbraw/zinc/15/06/98/180150698.db2.gz OFUICXGNHUTLCU-UHFFFAOYSA-N 1 0 262.744 2.225 10 0 CEAERO CC(C)C[NH2+]Cc1cncc(N(C)CC(C)C)n1 ZINC000091419182 180150735 /nfs/dbraw/zinc/15/07/35/180150735.db2.gz LCTQUGPAGGRNSI-UHFFFAOYSA-N 1 0 250.390 2.314 10 0 CEAERO COCCN(CC(C)C)c1cncc(C[NH2+]C(C)C)n1 ZINC000091419953 180150892 /nfs/dbraw/zinc/15/08/92/180150892.db2.gz POVBRNKPSHVXBE-UHFFFAOYSA-N 1 0 280.416 2.083 10 0 CEAERO C[NH2+]Cc1cncc(N2CCC[C@H]2C2CCCC2)n1 ZINC000091420177 180150981 /nfs/dbraw/zinc/15/09/81/180150981.db2.gz PTWQFQHSTJFUBR-AWEZNQCLSA-N 1 0 260.385 2.355 10 0 CEAERO CCc1nn(C)c(N[C@H](C)CCC[NH+](CC)CC)c1N ZINC000091561636 180192322 /nfs/dbraw/zinc/19/23/22/180192322.db2.gz MZBSRDOMOJVFRM-GFCCVEGCSA-N 1 0 281.448 2.487 10 0 CEAERO C[NH2+][C@@H](c1c(C)ccnc1N)C(C)(C)N1CCCCC1 ZINC000091564742 180193183 /nfs/dbraw/zinc/19/31/83/180193183.db2.gz QIUFHBLQZRNXAP-AWEZNQCLSA-N 1 0 276.428 2.497 10 0 CEAERO COc1ccc([C@@H]([NH3+])C(C)(C)N2CCOCC2)c(C)c1 ZINC000091566204 180194238 /nfs/dbraw/zinc/19/42/38/180194238.db2.gz IPXBNSBTEXHMKA-OAHLLOKOSA-N 1 0 278.396 2.114 10 0 CEAERO C[NH2+][C@H]([C@H]1CCOC1)C(C)(C)N1CCCCCC1 ZINC000091568143 180194848 /nfs/dbraw/zinc/19/48/48/180194848.db2.gz PPOUGDXZIGCFNI-UONOGXRCSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@](C)(C(=O)Cc1c(Cl)c(C)nn1C)[NH+](C)C ZINC000091568857 180194990 /nfs/dbraw/zinc/19/49/90/180194990.db2.gz QUQOUVVZHZUXTA-CYBMUJFWSA-N 1 0 271.792 2.224 10 0 CEAERO C[NH2+][C@@H](Cc1ccnc(N)c1)C(C)(C)N1CCCCCC1 ZINC000091568148 180195078 /nfs/dbraw/zinc/19/50/78/180195078.db2.gz CALJTIMCOSPZNM-HNNXBMFYSA-N 1 0 290.455 2.449 10 0 CEAERO CC[NH2+][C@H](c1cc(C)cnc1N)[C@](C)(CC)N(C)C ZINC000091571108 180195410 /nfs/dbraw/zinc/19/54/10/180195410.db2.gz WMZFVRFOGYWGBN-HIFRSBDPSA-N 1 0 264.417 2.353 10 0 CEAERO CCc1nn(C)c(C[C@@H](O)[C@@](C)(CC)[NH+](C)C)c1Cl ZINC000091569273 180195722 /nfs/dbraw/zinc/19/57/22/180195722.db2.gz VSVJGKKAYXGQHL-TZMCWYRMSA-N 1 0 287.835 2.270 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@H](N)c1cnccc1N ZINC000091573708 180196387 /nfs/dbraw/zinc/19/63/87/180196387.db2.gz FFUHCZBPPQPTKX-KGLIPLIRSA-N 1 0 250.390 2.174 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@@H](N)c1c(C)ccnc1N ZINC000091573595 180196500 /nfs/dbraw/zinc/19/65/00/180196500.db2.gz FJQBTIHQRNUJCW-DZGCQCFKSA-N 1 0 264.417 2.483 10 0 CEAERO CCCc1nn(C)c(N[C@H](C)C[NH+](CC)CC)c1N ZINC000091577190 180197858 /nfs/dbraw/zinc/19/78/58/180197858.db2.gz WTLXIDIQBMUVOE-LLVKDONJSA-N 1 0 267.421 2.097 10 0 CEAERO O=C(NCCC[N@@H+]1CCC[C@@H]1c1ccco1)C(F)(F)F ZINC000091578398 180198246 /nfs/dbraw/zinc/19/82/46/180198246.db2.gz QSFNWRXZAJBCON-SNVBAGLBSA-N 1 0 290.285 2.485 10 0 CEAERO CC(C)[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1=O)c1cccs1 ZINC000105113241 186042232 /nfs/dbraw/zinc/04/22/32/186042232.db2.gz CWMMBUHFAGCYDS-RISCZKNCSA-N 1 0 292.404 2.325 10 0 CEAERO CC(C)c1nn(C)c(NC[C@@H]2CC[N@@H+](C(C)C)C2)c1N ZINC000091582440 180198960 /nfs/dbraw/zinc/19/89/60/180198960.db2.gz SUUBDQDHUSOELT-LBPRGKRZSA-N 1 0 279.432 2.268 10 0 CEAERO CCn1cc(C[C@@H](O)[C@](C)(CC)[NH+]2CCCC2)cn1 ZINC000091602973 180202910 /nfs/dbraw/zinc/20/29/10/180202910.db2.gz VKGRXRFFSGYSBN-CABCVRRESA-N 1 0 265.401 2.071 10 0 CEAERO CC[C@@](C)(C(=O)Cc1ncnn1C(C)C)[NH+]1CCCC1 ZINC000091602064 180203147 /nfs/dbraw/zinc/20/31/47/180203147.db2.gz YBKGTNJWHWGCKR-HNNXBMFYSA-N 1 0 278.400 2.235 10 0 CEAERO CC[C@](C)([C@@H](N)c1cc(C)cnc1N)[NH+]1CCCC1 ZINC000091604824 180204404 /nfs/dbraw/zinc/20/44/04/180204404.db2.gz LSZWFGRIHFACPZ-DZGCQCFKSA-N 1 0 262.401 2.237 10 0 CEAERO CCn1cc(C[C@@H]([NH2+]C)[C@@](C)(CC)N2CCCC2)cn1 ZINC000091606298 180204703 /nfs/dbraw/zinc/20/47/03/180204703.db2.gz SDPIECRUWTZOEZ-HZPDHXFCSA-N 1 0 278.444 2.298 10 0 CEAERO CCn1nc(C)cc1C[C@@H](N)[C@@](C)(CC)[NH+]1CCCC1 ZINC000091605393 180204769 /nfs/dbraw/zinc/20/47/69/180204769.db2.gz RNSOQMMFZHNOAW-HZPDHXFCSA-N 1 0 278.444 2.346 10 0 CEAERO CC[C@@](C)([C@@H](N)c1nccn1C)[NH+]1CCCCC1 ZINC000091609135 180205507 /nfs/dbraw/zinc/20/55/07/180205507.db2.gz QWUNEDFWGWAVLM-JSGCOSHPSA-N 1 0 250.390 2.075 10 0 CEAERO CC[C@](C)([C@H]([NH2+]C)c1cnccn1)N1CCCCC1 ZINC000091609666 180205680 /nfs/dbraw/zinc/20/56/80/180205680.db2.gz VHYSBZPQZHTMLT-HUUCEWRRSA-N 1 0 262.401 2.392 10 0 CEAERO CC[C@](C)([C@H]([NH3+])Cc1cccc(C)c1)N1CCOCC1 ZINC000091611890 180206397 /nfs/dbraw/zinc/20/63/97/180206397.db2.gz VOHLAUAWMWVVRB-IAGOWNOFSA-N 1 0 276.424 2.366 10 0 CEAERO CC[C@](C)([C@H]([NH3+])c1c(F)cccc1F)N1CCOCC1 ZINC000091611810 180206441 /nfs/dbraw/zinc/20/64/41/180206441.db2.gz RKMVUOAECPLGKZ-HUUCEWRRSA-N 1 0 284.350 2.466 10 0 CEAERO CC[C@](C)([C@@H]([NH3+])c1c(F)cccc1F)N1CCOCC1 ZINC000091611812 180206547 /nfs/dbraw/zinc/20/65/47/180206547.db2.gz RKMVUOAECPLGKZ-LSDHHAIUSA-N 1 0 284.350 2.466 10 0 CEAERO CC[C@](C)([C@@H]([NH2+]C)c1ccoc1)N1CCOCC1 ZINC000091612632 180207111 /nfs/dbraw/zinc/20/71/11/180207111.db2.gz XPJYHSHDDHTVSS-UONOGXRCSA-N 1 0 252.358 2.041 10 0 CEAERO CC[C@](C)([C@@H]([NH2+]C)c1ccc(OC)cc1)N1CCOCC1 ZINC000091612220 180207520 /nfs/dbraw/zinc/20/75/20/180207520.db2.gz HUCRBKOTTFRJHK-DLBZAZTESA-N 1 0 292.423 2.457 10 0 CEAERO CCC(CC)([C@@H](N)Cc1ccn(C(C)C)n1)[NH+](C)C ZINC000091614144 180207767 /nfs/dbraw/zinc/20/77/67/180207767.db2.gz KACDUBJFYBWLLW-AWEZNQCLSA-N 1 0 266.433 2.454 10 0 CEAERO CCC(CC)([C@@H](O)Cc1c(Cl)c(C)nn1C)[NH+](C)C ZINC000091613768 180208248 /nfs/dbraw/zinc/20/82/48/180208248.db2.gz CMOYBFPOOIXGTJ-LBPRGKRZSA-N 1 0 287.835 2.406 10 0 CEAERO Cc1cc(F)cc(NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)c1 ZINC000091514169 180177067 /nfs/dbraw/zinc/17/70/67/180177067.db2.gz DWDHYPYYYLOZNI-HNNXBMFYSA-N 1 0 288.322 2.348 10 0 CEAERO COCC[NH2+]CC[C@@](C)(O)c1ccc(Cl)cc1 ZINC000091519495 180178397 /nfs/dbraw/zinc/17/83/97/180178397.db2.gz PIEKLBACCCGSEL-CYBMUJFWSA-N 1 0 257.761 2.174 10 0 CEAERO Cc1cc(F)cc(NC(=O)c2cc[nH+]c(NN)c2)c1 ZINC000091527141 180179592 /nfs/dbraw/zinc/17/95/92/180179592.db2.gz KRIKOSFKLHRFQZ-UHFFFAOYSA-N 1 0 260.272 2.067 10 0 CEAERO CCC[NH2+][C@@H](c1ccnn1CC)C(C)(C)N(C)C ZINC000091529318 180180306 /nfs/dbraw/zinc/18/03/06/180180306.db2.gz GOFSZHIUYZGYRI-ZDUSSCGKSA-N 1 0 252.406 2.284 10 0 CEAERO CCn1nc(C)cc1C[C@@H](N)C(C)(C)[NH+](CC)CC ZINC000091530457 180180788 /nfs/dbraw/zinc/18/07/88/180180788.db2.gz QQBUPRWPTFHMKQ-CQSZACIVSA-N 1 0 266.433 2.202 10 0 CEAERO CCCn1cc([C@@H]([NH2+]CC)C(C)(C)N(C)C)cn1 ZINC000091529177 180180919 /nfs/dbraw/zinc/18/09/19/180180919.db2.gz XGZDXMQIWORLKJ-CYBMUJFWSA-N 1 0 252.406 2.284 10 0 CEAERO CCc1nn(C)c(C[C@@H]([NH2+]C)C(C)(C)N(C)C)c1Cl ZINC000091528647 180180998 /nfs/dbraw/zinc/18/09/98/180180998.db2.gz AXHGPYMKWYHGQO-GFCCVEGCSA-N 1 0 286.851 2.107 10 0 CEAERO CCC[NH2+][C@H](Cc1ncnn1CC)C(C)(C)N(CC)CC ZINC000091532400 180181369 /nfs/dbraw/zinc/18/13/69/180181369.db2.gz MIZLYCQDOSMECI-CQSZACIVSA-N 1 0 295.475 2.329 10 0 CEAERO C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091543797 180185313 /nfs/dbraw/zinc/18/53/13/180185313.db2.gz WNNTWZNNHVRKKL-YUELXQCFSA-N 1 0 260.381 2.251 10 0 CEAERO [NH3+][C@@H]1CC[C@H](C(=O)Nc2cccc(OC(F)F)c2)C1 ZINC000091545367 180186412 /nfs/dbraw/zinc/18/64/12/180186412.db2.gz XYCKVWWVEHJEIO-DTWKUNHWSA-N 1 0 270.279 2.354 10 0 CEAERO CCCCCC[C@H](C)[NH2+][C@H]1CC(=O)N(CCC)C1=O ZINC000105039897 186038598 /nfs/dbraw/zinc/03/85/98/186038598.db2.gz JWBBEWKQZBWBAS-STQMWFEESA-N 1 0 268.401 2.472 10 0 CEAERO CCN(Cc1cccc(C)c1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091548274 180188114 /nfs/dbraw/zinc/18/81/14/180188114.db2.gz IVFVLGDKKCJZDF-HUUCEWRRSA-N 1 0 260.381 2.471 10 0 CEAERO CCC(CC)([C@@H](N)c1cccnc1N)[NH+]1CCCC1 ZINC000091635015 180210900 /nfs/dbraw/zinc/21/09/00/180210900.db2.gz MNEHIWQFBDLIGS-ZDUSSCGKSA-N 1 0 262.401 2.318 10 0 CEAERO Cc1nn(C)c(CC(=O)C2([NH+](C)C)CCCC2)c1Cl ZINC000091636081 180211724 /nfs/dbraw/zinc/21/17/24/180211724.db2.gz QBSJDKAPQBRFBX-UHFFFAOYSA-N 1 0 283.803 2.368 10 0 CEAERO CCC[NH2+][C@H](c1cnn(C)c1)C1(N(C)C)CCCC1 ZINC000091638398 180212309 /nfs/dbraw/zinc/21/23/09/180212309.db2.gz CACWEAJVIOZHAG-CQSZACIVSA-N 1 0 264.417 2.335 10 0 CEAERO CC[NH2+][C@H](Cc1ccncc1)C1(N(C)C)CCCC1 ZINC000091638184 180212519 /nfs/dbraw/zinc/21/25/19/180212519.db2.gz GJQOTNTVFLIVIS-OAHLLOKOSA-N 1 0 261.413 2.477 10 0 CEAERO CC[NH2+][C@H](Cc1ncnn1C(C)C)C1(N(C)C)CCCC1 ZINC000091638222 180212706 /nfs/dbraw/zinc/21/27/06/180212706.db2.gz PZZWEAMWEGEJHT-CQSZACIVSA-N 1 0 293.459 2.254 10 0 CEAERO CCn1cc([C@@H](N)C2([NH+]3CCCC3)CCCC2)cn1 ZINC000091640741 180213034 /nfs/dbraw/zinc/21/30/34/180213034.db2.gz NJECJDUJUUGQTM-CQSZACIVSA-N 1 0 262.401 2.311 10 0 CEAERO CCCn1ncnc1C[C@H](O)C1([NH+]2CCCC2)CCCC1 ZINC000091640204 180213094 /nfs/dbraw/zinc/21/30/94/180213094.db2.gz MSZIEJWYDNNQTF-AWEZNQCLSA-N 1 0 292.427 2.000 10 0 CEAERO Cn1cc(C[C@H](O)C2([NH+]3CCCCC3)CCCC2)cn1 ZINC000091641730 180213314 /nfs/dbraw/zinc/21/33/14/180213314.db2.gz XZEZAQQOGMHCOV-HNNXBMFYSA-N 1 0 277.412 2.122 10 0 CEAERO CN[C@@H](c1cnn(C)c1)C1([NH+]2CCCC2)CCCC1 ZINC000091640981 180213346 /nfs/dbraw/zinc/21/33/46/180213346.db2.gz XZACZLDEAKSQGJ-AWEZNQCLSA-N 1 0 262.401 2.089 10 0 CEAERO Cc1ccncc1[C@@H](O)C1([NH+]2CCOCC2)CCCC1 ZINC000091642775 180213901 /nfs/dbraw/zinc/21/39/01/180213901.db2.gz NETOQGOAJWTACA-OAHLLOKOSA-N 1 0 276.380 2.068 10 0 CEAERO C[NH2+][C@H](c1ccoc1)C1(N2CCOCC2)CCCC1 ZINC000091646184 180215294 /nfs/dbraw/zinc/21/52/94/180215294.db2.gz KAQKQWXUDHOGIW-CQSZACIVSA-N 1 0 264.369 2.185 10 0 CEAERO CCc1cc(C[C@H](O)C2([NH+](C)C)CCCCC2)n(C)n1 ZINC000091646727 180215783 /nfs/dbraw/zinc/21/57/83/180215783.db2.gz OKMNUAJSFKGFRF-HNNXBMFYSA-N 1 0 279.428 2.150 10 0 CEAERO CCn1ccnc1[C@@H](NC)C1([NH+](C)C)CCCCC1 ZINC000091647606 180215869 /nfs/dbraw/zinc/21/58/69/180215869.db2.gz BTWAORDNUMDSQU-CYBMUJFWSA-N 1 0 264.417 2.428 10 0 CEAERO Cc1cc(C[C@@H](O)C2([NH+](C)C)CCCCCC2)n(C)n1 ZINC000091653859 180217306 /nfs/dbraw/zinc/21/73/06/180217306.db2.gz MCSCMSXBFKMFFF-OAHLLOKOSA-N 1 0 279.428 2.287 10 0 CEAERO Cc1cnc(Cl)nc1N(C)CC1CC[NH+](C)CC1 ZINC000091659101 180218611 /nfs/dbraw/zinc/21/86/11/180218611.db2.gz KMQFDAROYNRAKY-UHFFFAOYSA-N 1 0 268.792 2.216 10 0 CEAERO Cc1cnc(Cl)nc1NCC1CC[NH+](C)CC1 ZINC000091658745 180218822 /nfs/dbraw/zinc/21/88/22/180218822.db2.gz SPMQUITWTQLFHV-UHFFFAOYSA-N 1 0 254.765 2.192 10 0 CEAERO COC(OC)[C@@H](C)[NH2+][C@H]1CCCc2cccnc21 ZINC000091661730 180219667 /nfs/dbraw/zinc/21/96/67/180219667.db2.gz OBDSZEKLUZONMZ-PWSUYJOCSA-N 1 0 250.342 2.056 10 0 CEAERO COc1ccc(CCC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000091714086 180231516 /nfs/dbraw/zinc/23/15/16/180231516.db2.gz SHDGXIKTBKYOKJ-RHSMWYFYSA-N 1 0 289.375 2.060 10 0 CEAERO Cc1ccc(F)cc1[C@H](O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091715616 180232052 /nfs/dbraw/zinc/23/20/52/180232052.db2.gz ZTXCVMBMJCZXHF-YUELXQCFSA-N 1 0 265.328 2.031 10 0 CEAERO C[NH2+][C@H](c1ccc2ccccc2c1)[C@@H]1CN(C)CCO1 ZINC000091717572 180232442 /nfs/dbraw/zinc/23/24/42/180232442.db2.gz VCTHAAQHYGMVQP-DLBZAZTESA-N 1 0 270.376 2.431 10 0 CEAERO C[NH2+][C@@H](c1ccc(OC(C)C)cc1)[C@H]1CN(C)CCO1 ZINC000091717605 180232500 /nfs/dbraw/zinc/23/25/00/180232500.db2.gz RZPMPTUDQWIRFW-CVEARBPZSA-N 1 0 278.396 2.065 10 0 CEAERO CCN[C@@H](CC[NH+](CC)CC)c1c(C)ccnc1N ZINC000091716420 180232589 /nfs/dbraw/zinc/23/25/89/180232589.db2.gz QTTHWJLCUPLAGJ-ZDUSSCGKSA-N 1 0 264.417 2.355 10 0 CEAERO C[NH2+][C@@H](c1ccc(C(F)(F)F)cc1)[C@@H]1CN(C)CCO1 ZINC000091717471 180232698 /nfs/dbraw/zinc/23/26/98/180232698.db2.gz PXYGTROPFTVAAS-STQMWFEESA-N 1 0 288.313 2.297 10 0 CEAERO CC[NH2+][C@H](c1ccc(CC)cc1)[C@H]1CN(C)CCO1 ZINC000091718749 180233342 /nfs/dbraw/zinc/23/33/42/180233342.db2.gz KMNGULFQECHFDE-HZPDHXFCSA-N 1 0 262.397 2.230 10 0 CEAERO CC[NH2+][C@@H](C1CCC(C)CC1)[C@@H]1CN(C)CCO1 ZINC000091718814 180233375 /nfs/dbraw/zinc/23/33/75/180233375.db2.gz FDZAEGIEQATPAM-WUCCLRPBSA-N 1 0 254.418 2.121 10 0 CEAERO CC[NH2+][C@H](Cc1ccc(Cl)s1)[C@H]1CN(C)CCO1 ZINC000091718541 180233388 /nfs/dbraw/zinc/23/33/88/180233388.db2.gz YZIJUCIQBJJIRB-VXGBXAGGSA-N 1 0 288.844 2.253 10 0 CEAERO CC[NH2+][C@H](c1cc(C)ccc1F)[C@H]1CN(C)CCO1 ZINC000091718721 180233392 /nfs/dbraw/zinc/23/33/92/180233392.db2.gz GEEYMPAQNNUQQB-HUUCEWRRSA-N 1 0 266.360 2.115 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccc(CC)cc1)[C@@H]1CN(C)CCO1 ZINC000091718994 180234054 /nfs/dbraw/zinc/23/40/54/180234054.db2.gz UXOTUKVXUGNWLS-ROUUACIJSA-N 1 0 290.451 2.490 10 0 CEAERO C[NH2+][C@@H](Cc1ccn(C2CCCCC2)n1)CN(C)C ZINC000091719666 180234189 /nfs/dbraw/zinc/23/41/89/180234189.db2.gz VAPZTSVBGLRKEY-AWEZNQCLSA-N 1 0 264.417 2.080 10 0 CEAERO CCC[NH2+][C@@H](c1ccc(F)cc1)[C@H]1CN(C)CCO1 ZINC000091719340 180234313 /nfs/dbraw/zinc/23/43/13/180234313.db2.gz KETBDPYVOCECCB-CABCVRRESA-N 1 0 266.360 2.197 10 0 CEAERO CC[NH2+][C@@H](CCc1ccc2c(c1)CCO2)CN(C)C ZINC000091719760 180234525 /nfs/dbraw/zinc/23/45/25/180234525.db2.gz RYCQXICPKOWMQS-HNNXBMFYSA-N 1 0 262.397 2.094 10 0 CEAERO CC[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1ccc(F)cc1 ZINC000624235201 350238368 /nfs/dbraw/zinc/23/83/68/350238368.db2.gz GNPYWVFKARINHK-MELADBBJSA-N 1 0 253.317 2.016 10 0 CEAERO CC[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1ccc(F)cc1 ZINC000624235200 350238407 /nfs/dbraw/zinc/23/84/07/350238407.db2.gz GNPYWVFKARINHK-IHRRRGAJSA-N 1 0 253.317 2.016 10 0 CEAERO Cc1cc([C@H](C)[NH2+][C@H]2CCOC[C@H]2O)c(C)s1 ZINC000624235362 350238425 /nfs/dbraw/zinc/23/84/25/350238425.db2.gz JEBRIBYIBRPSQI-TVYUQYBPSA-N 1 0 255.383 2.165 10 0 CEAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCOC[C@@H]2O)c2ccccc21 ZINC000624236665 350240553 /nfs/dbraw/zinc/24/05/53/350240553.db2.gz HPUNIMXHCRPQPQ-CAPXZKIUSA-N 1 0 261.365 2.364 10 0 CEAERO C[NH2+][C@H](Cc1cc(C)cc(C)c1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721479 180237799 /nfs/dbraw/zinc/23/77/99/180237799.db2.gz VKODIYHFPIQHKK-KZNAEPCWSA-N 1 0 288.435 2.297 10 0 CEAERO C[NH2+][C@H](c1cccc(C)c1C)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721305 180237831 /nfs/dbraw/zinc/23/78/31/180237831.db2.gz YWDFQRNNMYKPJF-HYVNUMGLSA-N 1 0 274.408 2.427 10 0 CEAERO CCc1ccc(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)o1 ZINC000091762385 180247724 /nfs/dbraw/zinc/24/77/24/180247724.db2.gz PFASHUCVQDICTE-LLVKDONJSA-N 1 0 262.353 2.247 10 0 CEAERO CCc1ccc(C(=O)N2CCCC[C@@H]2CC[NH2+]C)o1 ZINC000091762826 180248191 /nfs/dbraw/zinc/24/81/91/180248191.db2.gz RZCOBIAGMWWBNG-GFCCVEGCSA-N 1 0 264.369 2.446 10 0 CEAERO CC[NH2+][C@H](C)c1cccn1CC(=O)N[C@@H](C)CC ZINC000091801518 180259472 /nfs/dbraw/zinc/25/94/72/180259472.db2.gz BGVQRBLNVPCEMS-NWDGAFQWSA-N 1 0 251.374 2.073 10 0 CEAERO CCN([C@@H](C)c1ccc(C(=O)OC)o1)C1CC[NH2+]CC1 ZINC000091780857 180253567 /nfs/dbraw/zinc/25/35/67/180253567.db2.gz HYJSHEZERVZVRU-NSHDSACASA-N 1 0 280.368 2.201 10 0 CEAERO CC(C)[NH2+]Cc1csc([C@@H]2CN3CCC[C@@H]3CO2)n1 ZINC000091722566 180239941 /nfs/dbraw/zinc/23/99/41/180239941.db2.gz QDTMKMJMNKWZDD-OLZOCXBDSA-N 1 0 281.425 2.177 10 0 CEAERO CC[NH2+][C@H](C)c1csc([C@@H]2CN3CCC[C@@H]3CO2)n1 ZINC000091722519 180240278 /nfs/dbraw/zinc/24/02/78/180240278.db2.gz UDVVJZPKJNNJCZ-WZRBSPASSA-N 1 0 281.425 2.349 10 0 CEAERO Cc1noc(CC[NH2+]Cc2ccc(Cl)s2)n1 ZINC000105469700 186059635 /nfs/dbraw/zinc/05/96/35/186059635.db2.gz OJKRTEFGSFTRBU-UHFFFAOYSA-N 1 0 257.746 2.425 10 0 CEAERO CCN(C(=O)[C@@H]1CCCS1)C1CCC([NH3+])CC1 ZINC000091850413 180272556 /nfs/dbraw/zinc/27/25/56/180272556.db2.gz ACQJBOAJJUKQDT-MCIGGMRASA-N 1 0 256.415 2.000 10 0 CEAERO CCCCNC(=O)N(CCC)C1CCC([NH3+])CC1 ZINC000091852135 180272610 /nfs/dbraw/zinc/27/26/10/180272610.db2.gz IYCBSDXLUJGSME-UHFFFAOYSA-N 1 0 255.406 2.478 10 0 CEAERO CCC(CC)NC(=O)[C@H](C)[N@H+](C)C1CCC(=O)CC1 ZINC000091854031 180273362 /nfs/dbraw/zinc/27/33/62/180273362.db2.gz YHHIAXJKQCGXLV-NSHDSACASA-N 1 0 268.401 2.123 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)Cc2ccc(F)cc2)CC1 ZINC000091854553 180274470 /nfs/dbraw/zinc/27/44/70/180274470.db2.gz QTHCMAVZHIEGGH-UHFFFAOYSA-N 1 0 278.371 2.357 10 0 CEAERO CCCNC(=O)Cn1cccc1[C@H](C)[NH2+]CCC ZINC000091802360 180260057 /nfs/dbraw/zinc/26/00/57/180260057.db2.gz SDIUZBQQENLRKY-LBPRGKRZSA-N 1 0 251.374 2.075 10 0 CEAERO CC[NH2+][C@@H](CC)c1ccn(CCC(=O)NC(C)C)c1 ZINC000091817085 180262970 /nfs/dbraw/zinc/26/29/70/180262970.db2.gz RFCFDVAVDUWLOE-AWEZNQCLSA-N 1 0 265.401 2.463 10 0 CEAERO CCC[NH2+][C@H](CCC)c1ccn(CCC(N)=O)c1 ZINC000091823805 180264101 /nfs/dbraw/zinc/26/41/01/180264101.db2.gz KHRAITBGRZRQJQ-CYBMUJFWSA-N 1 0 251.374 2.204 10 0 CEAERO CC[NH2+][C@H](c1ccn(CCC(=O)NC2CC2)c1)C(C)C ZINC000091827668 180264550 /nfs/dbraw/zinc/26/45/50/180264550.db2.gz BNXANVKOFMVMAJ-INIZCTEOSA-N 1 0 277.412 2.463 10 0 CEAERO CC[NH2+][C@H](c1ccn(CC(=O)N(C)CC)c1)C(C)C ZINC000091827987 180264704 /nfs/dbraw/zinc/26/47/04/180264704.db2.gz FDMHYHPDHRNBNR-HNNXBMFYSA-N 1 0 265.401 2.273 10 0 CEAERO C[NH2+][C@H](c1ccn(CC(=O)N(C)C(C)C)c1)C(C)C ZINC000091826928 180264879 /nfs/dbraw/zinc/26/48/79/180264879.db2.gz NUNCODRPUQDKPI-HNNXBMFYSA-N 1 0 265.401 2.271 10 0 CEAERO CCN(CC)C(=O)Cn1ccc([C@H]([NH2+]C)C(C)C)c1 ZINC000091826577 180265018 /nfs/dbraw/zinc/26/50/18/180265018.db2.gz QZWCXRPUAUBRLM-OAHLLOKOSA-N 1 0 265.401 2.273 10 0 CEAERO CCC[NH2+][C@@H](c1ccn(CCCC(=O)NC)c1)C1CC1 ZINC000091839101 180268060 /nfs/dbraw/zinc/26/80/60/180268060.db2.gz SYJFUYJIYVWKDW-MRXNPFEDSA-N 1 0 277.412 2.465 10 0 CEAERO CC(C)n1cccc1C(=O)N(C)C1CCC([NH3+])CC1 ZINC000091845337 180270215 /nfs/dbraw/zinc/27/02/15/180270215.db2.gz YTPLELSOJMEMEC-UHFFFAOYSA-N 1 0 263.385 2.411 10 0 CEAERO CN(c1ncnc2ccccc21)C1CCC([NH3+])CC1 ZINC000091849520 180271458 /nfs/dbraw/zinc/27/14/58/180271458.db2.gz KKPSSJMCRRBTPQ-UHFFFAOYSA-N 1 0 256.353 2.336 10 0 CEAERO CCc1cc(C(=O)N(CC)C2CCC([NH3+])CC2)n(CC)n1 ZINC000091850475 180271769 /nfs/dbraw/zinc/27/17/69/180271769.db2.gz VBUDGUBRIBWEFH-UHFFFAOYSA-N 1 0 292.427 2.197 10 0 CEAERO O=C(N1CCC[C@@H]1[C@H]1CCC[NH2+]C1)N1CCCCCC1 ZINC000091971207 180294986 /nfs/dbraw/zinc/29/49/86/180294986.db2.gz HNPGSUYXDXKRCM-LSDHHAIUSA-N 1 0 279.428 2.446 10 0 CEAERO CCN(CC)C(=O)N(CC)C1(C[NH3+])CCCCC1 ZINC000091961577 180292995 /nfs/dbraw/zinc/29/29/95/180292995.db2.gz DNBJBPHYVHUXSJ-UHFFFAOYSA-N 1 0 255.406 2.432 10 0 CEAERO CN(C(=O)N1CCCCC1)C1(C[NH3+])CCCCC1 ZINC000091969086 180294459 /nfs/dbraw/zinc/29/44/59/180294459.db2.gz NMLOBDRYFZRBNZ-UHFFFAOYSA-N 1 0 253.390 2.186 10 0 CEAERO CCc1cc(N(C)C2CCC([NH2+]C)CC2)nc(C)n1 ZINC000091870903 180277044 /nfs/dbraw/zinc/27/70/44/180277044.db2.gz IIGIAZJQLWBRNH-UHFFFAOYSA-N 1 0 262.401 2.314 10 0 CEAERO CCC[NH2+]C1CCC(N(C)C(=O)NC(C)C)CC1 ZINC000091869814 180277170 /nfs/dbraw/zinc/27/71/70/180277170.db2.gz ZZXOJFVOJZJQES-UHFFFAOYSA-N 1 0 255.406 2.347 10 0 CEAERO C[NH2+]C1CCC(NC(=O)c2ccc3cc[nH]c3c2)CC1 ZINC000091871732 180277818 /nfs/dbraw/zinc/27/78/18/180277818.db2.gz AKWBLBADRFJCFI-UHFFFAOYSA-N 1 0 271.364 2.428 10 0 CEAERO C[NH2+]C1CCC(Nc2cc(Cl)ccc2C(N)=O)CC1 ZINC000091873578 180278739 /nfs/dbraw/zinc/27/87/39/180278739.db2.gz OYOFYRVGAISFIK-UHFFFAOYSA-N 1 0 281.787 2.381 10 0 CEAERO CCCOc1cc(N(C)C2CCC([NH2+]C)CC2)ncn1 ZINC000091873715 180278810 /nfs/dbraw/zinc/27/88/10/180278810.db2.gz CRVWIKSOYZOTSS-UHFFFAOYSA-N 1 0 278.400 2.232 10 0 CEAERO CCC[C@](O)(c1ccccc1)C1(C[NH3+])CCOCC1 ZINC000091906243 180284272 /nfs/dbraw/zinc/28/42/72/180284272.db2.gz ZRRXHWBYZWCIMN-INIZCTEOSA-N 1 0 263.381 2.430 10 0 CEAERO [NH3+]C[C@]1([C@H](O)c2ccccc2)CCOc2ccccc21 ZINC000091909504 180284773 /nfs/dbraw/zinc/28/47/73/180284773.db2.gz YKQHROXCSMTMCY-IAGOWNOFSA-N 1 0 269.344 2.399 10 0 CEAERO CC1(C)CCC(C[NH3+])([C@H](O)C2CCOCC2)CC1 ZINC000091913433 180285135 /nfs/dbraw/zinc/28/51/35/180285135.db2.gz PHIYCFTXNQVQAO-CYBMUJFWSA-N 1 0 255.402 2.319 10 0 CEAERO [NH3+]C[C@@]1([C@@H](O)c2cccc(F)c2)COc2ccccc2C1 ZINC000091910836 180285259 /nfs/dbraw/zinc/28/52/59/180285259.db2.gz DDGYQCRWLMKVIV-DLBZAZTESA-N 1 0 287.334 2.439 10 0 CEAERO COc1ccc([C@@H](O)C2(C[NH3+])CCCC2)c(OC)c1OC ZINC000091910878 180285316 /nfs/dbraw/zinc/28/53/16/180285316.db2.gz HMJMKDCKXQXIKK-OAHLLOKOSA-N 1 0 295.379 2.265 10 0 CEAERO CSCC[C@@H](O)[C@]1(C[NH3+])CCc2ccccc2C1 ZINC000091917473 180285763 /nfs/dbraw/zinc/28/57/63/180285763.db2.gz PFTOHHJDXBOGTH-HUUCEWRRSA-N 1 0 265.422 2.234 10 0 CEAERO [NH3+]C[C@]1([C@@H](O)Cc2ccccc2)COc2ccccc2C1 ZINC000091914060 180285940 /nfs/dbraw/zinc/28/59/40/180285940.db2.gz WZTQHCZJKAWTOH-ROUUACIJSA-N 1 0 283.371 2.170 10 0 CEAERO CCC[C@@H]1C[C@](O)(C2(C[NH3+])Cc3ccccc3C2)CCO1 ZINC000091918783 180286497 /nfs/dbraw/zinc/28/64/97/180286497.db2.gz VUAZPEZYPSNIII-AEFFLSMTSA-N 1 0 289.419 2.441 10 0 CEAERO CCC1CCC(C[NH3+])(OC[C@H]2CN(CC)CCO2)CC1 ZINC000092050590 180312246 /nfs/dbraw/zinc/31/22/46/180312246.db2.gz CCOGNKNQSUZMNC-HWOWSKLDSA-N 1 0 284.444 2.021 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H](C)Cc2ccc(F)cc2)C1 ZINC000092052716 180312841 /nfs/dbraw/zinc/31/28/41/180312841.db2.gz FKLODEZIMFNJPX-XJKSGUPXSA-N 1 0 280.387 2.067 10 0 CEAERO C[C@H]([NH3+])c1cc(Cl)ccc1OC[C@@H]1CN(C)CCO1 ZINC000092054403 180313826 /nfs/dbraw/zinc/31/38/26/180313826.db2.gz IUROUQMIUBUNEH-JQWIXIFHSA-N 1 0 284.787 2.069 10 0 CEAERO CN(C(=O)N1CCCCCC1)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000091971709 180295480 /nfs/dbraw/zinc/29/54/80/180295480.db2.gz FUYCKJZOZKCHRS-ZIAGYGMSSA-N 1 0 267.417 2.432 10 0 CEAERO [NH3+]CC[C@@H]1CCCCN1C(=O)N1CCCCCC1 ZINC000091971649 180295739 /nfs/dbraw/zinc/29/57/39/180295739.db2.gz HEVRXLPKNNSBQQ-ZDUSSCGKSA-N 1 0 253.390 2.186 10 0 CEAERO C[NH2+]CCC1CCN(C(=O)N2CCCCCC2)CC1 ZINC000091971667 180295742 /nfs/dbraw/zinc/29/57/42/180295742.db2.gz BFXFTLUYENRRDM-UHFFFAOYSA-N 1 0 267.417 2.304 10 0 CEAERO CCC(CC)(C[NH3+])N(C)C(=O)N1CCC(C)CC1 ZINC000091972943 180295847 /nfs/dbraw/zinc/29/58/47/180295847.db2.gz HDVPAFYTICKNOX-UHFFFAOYSA-N 1 0 255.406 2.288 10 0 CEAERO C[C@@H]1CCCN(C(=O)Nc2cccc(C(N)=[NH2+])c2)C1 ZINC000091993283 180300302 /nfs/dbraw/zinc/30/03/02/180300302.db2.gz KQNIBJVFZVUMQK-SNVBAGLBSA-N 1 0 260.341 2.234 10 0 CEAERO Cc1ccc(OCc2ccno2)c(C[NH2+]C(C)C)n1 ZINC000091995584 180302330 /nfs/dbraw/zinc/30/23/30/180302330.db2.gz HKSVCGNROPLVSM-UHFFFAOYSA-N 1 0 261.325 2.455 10 0 CEAERO CCOCCOc1ccc(C)nc1C[C@H]([NH3+])CC ZINC000092000387 180303505 /nfs/dbraw/zinc/30/35/05/180303505.db2.gz JVNOVANIOXXTQB-GFCCVEGCSA-N 1 0 252.358 2.085 10 0 CEAERO Cc1ccc(C(=O)CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC000092002150 180304340 /nfs/dbraw/zinc/30/43/40/180304340.db2.gz BPPQXBNBSMVRTO-OLZOCXBDSA-N 1 0 278.421 2.408 10 0 CEAERO Cc1cc(N[C@@H](CC(C)C)C[NH+](C)C)ncc1N ZINC000092027012 180308677 /nfs/dbraw/zinc/30/86/77/180308677.db2.gz JUIHVKCLWHGEEF-LBPRGKRZSA-N 1 0 250.390 2.360 10 0 CEAERO CCC[NH2+][C@@H](C)c1cccc(-n2ccc(C(N)=O)n2)c1 ZINC000092024184 180308855 /nfs/dbraw/zinc/30/88/55/180308855.db2.gz PSEPUFIJFGJFCI-NSHDSACASA-N 1 0 272.352 2.032 10 0 CEAERO CC[C@H](C)N(CC)S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092115645 180327233 /nfs/dbraw/zinc/32/72/33/180327233.db2.gz WXMGLYZPDMUSKH-JTQLQIEISA-N 1 0 288.388 2.094 10 0 CEAERO CCCNS(=O)(=O)c1ccc(C[NH2+]C(C)C)cc1F ZINC000092115767 180327425 /nfs/dbraw/zinc/32/74/25/180327425.db2.gz IKAGNRDWSZFEPF-UHFFFAOYSA-N 1 0 288.388 2.012 10 0 CEAERO C[C@@H]1CN(C(=O)CC2CCC(C[NH3+])CC2)C[C@H]1C ZINC000092113018 180327486 /nfs/dbraw/zinc/32/74/86/180327486.db2.gz IMPMNEMEHDHLJN-IWMBGFJWSA-N 1 0 252.402 2.256 10 0 CEAERO CCCC[C@H](C)NS(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092116058 180327613 /nfs/dbraw/zinc/32/76/13/180327613.db2.gz IXQSUVFMDIHJKZ-JTQLQIEISA-N 1 0 288.388 2.141 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)Nc1c2nsnc2ccc1Cl ZINC000092137361 180333209 /nfs/dbraw/zinc/33/32/09/180333209.db2.gz POQFTTDPZOHAEM-LURJTMIESA-N 1 0 284.772 2.139 10 0 CEAERO CC[NH2+][C@H]1CCC[C@@H]1c1nc(C(C)(C)OC)no1 ZINC000092141501 180334105 /nfs/dbraw/zinc/33/41/05/180334105.db2.gz YDWVUBCZTDCPRL-UWVGGRQHSA-N 1 0 253.346 2.197 10 0 CEAERO CC[NH2+][C@@H](Cc1nc(C(C)(C)OC)no1)C(C)C ZINC000092141421 180334216 /nfs/dbraw/zinc/33/42/16/180334216.db2.gz FRSWPYNWNCXRMC-JTQLQIEISA-N 1 0 255.362 2.128 10 0 CEAERO COc1ccc([C@H](C[NH3+])N2C[C@H](C)[C@H](C)C2)cc1F ZINC000092082307 180319292 /nfs/dbraw/zinc/31/92/92/180319292.db2.gz MDWVQPIAFADPOJ-WDMOLILDSA-N 1 0 266.360 2.422 10 0 CEAERO Cc1cc(N)ccc1NC(=O)CC[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000092080735 180319301 /nfs/dbraw/zinc/31/93/01/180319301.db2.gz USQADRJKUJUBML-CHWSQXEVSA-N 1 0 275.396 2.494 10 0 CEAERO C[NH2+][C@H](CN1C(=O)[C@H](C)[C@H](C)C1=O)c1ccc(C)cc1C ZINC000092094183 180323188 /nfs/dbraw/zinc/32/31/88/180323188.db2.gz HYWWKODOEGOTDY-VNHYZAJKSA-N 1 0 288.391 2.205 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2nc3ccccc3s2)C1 ZINC000092201667 180342902 /nfs/dbraw/zinc/34/29/02/180342902.db2.gz VUXOYSMCGODZGH-RKDXNWHRSA-N 1 0 259.334 2.138 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)Nc2cccc(OC(F)(F)F)c2)C1 ZINC000092201640 180342981 /nfs/dbraw/zinc/34/29/81/180342981.db2.gz QKUCIUHJPDCQIO-IUCAKERBSA-N 1 0 286.253 2.427 10 0 CEAERO CCOCc1ccccc1NC(=O)[C@@H]1C=C[C@H]([NH3+])C1 ZINC000092202181 180343026 /nfs/dbraw/zinc/34/30/26/180343026.db2.gz JWVGOYVWZPEYPF-YPMHNXCESA-N 1 0 260.337 2.065 10 0 CEAERO CN(C)c1ccc(Cl)cc1NC(=O)[C@H]1C=C[C@H]([NH3+])C1 ZINC000092203497 180343489 /nfs/dbraw/zinc/34/34/89/180343489.db2.gz ANISKEMGMMJGAB-ONGXEEELSA-N 1 0 279.771 2.248 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)N(Cc2cccs2)C2CC2)C1 ZINC000092204855 180343641 /nfs/dbraw/zinc/34/36/41/180343641.db2.gz YUSQUAZHOKISJR-QWRGUYRKSA-N 1 0 262.378 2.143 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)N2CCc3sccc3[C@@H]2C2CC2)C1 ZINC000092204697 180343868 /nfs/dbraw/zinc/34/38/68/180343868.db2.gz FPEHOBCPWRKJRW-ZOWXZIJZSA-N 1 0 288.416 2.487 10 0 CEAERO Cc1ccc(CN(C(=O)[C@H]2C=C[C@H]([NH3+])C2)C2CC2)cc1 ZINC000092204959 180344180 /nfs/dbraw/zinc/34/41/80/180344180.db2.gz SJPIJCWFIPTZMJ-GJZGRUSLSA-N 1 0 270.376 2.389 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)NCCCn2ccc3ccccc32)C1 ZINC000092206497 180344246 /nfs/dbraw/zinc/34/42/46/180344246.db2.gz JCWYUPRJQBFOQQ-GJZGRUSLSA-N 1 0 283.375 2.051 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)Nc2ccc3ncccc3c2)C1 ZINC000092207357 180344257 /nfs/dbraw/zinc/34/42/57/180344257.db2.gz IQSZBQFOWBZORB-NWDGAFQWSA-N 1 0 253.305 2.077 10 0 CEAERO CC(C)N(Cc1cccs1)C(=O)[C@@H]1C=C[C@H]([NH3+])C1 ZINC000092206904 180344323 /nfs/dbraw/zinc/34/43/23/180344323.db2.gz SLZLFJKUFVZNSN-NEPJUHHUSA-N 1 0 264.394 2.389 10 0 CEAERO C[C@H](CCNC(=O)[C@@H]1C=C[C@@H]([NH3+])C1)c1ccccc1 ZINC000092207460 180344324 /nfs/dbraw/zinc/34/43/24/180344324.db2.gz NJLLJEOURAYNEQ-BPLDGKMQSA-N 1 0 258.365 2.200 10 0 CEAERO CCN(Cc1cccc(C)c1)C(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092204933 180344385 /nfs/dbraw/zinc/34/43/85/180344385.db2.gz QVPRBFYMKOAORP-LSDHHAIUSA-N 1 0 258.365 2.247 10 0 CEAERO Cc1ccc(CN(C(=O)[C@H]2C=C[C@@H]([NH3+])C2)C2CC2)cc1 ZINC000092204957 180344400 /nfs/dbraw/zinc/34/44/00/180344400.db2.gz SJPIJCWFIPTZMJ-LSDHHAIUSA-N 1 0 270.376 2.389 10 0 CEAERO O=C(NCC[C@H]1CCC[NH2+]C1)[C@H]1Cc2ccccc2S1 ZINC000092232115 180348475 /nfs/dbraw/zinc/34/84/75/180348475.db2.gz DTZYOLJOOIHKJJ-IUODEOHRSA-N 1 0 290.432 2.209 10 0 CEAERO CCC[C@H](C[NH3+])NC(=O)c1ccc(SC)cc1 ZINC000092232368 180348800 /nfs/dbraw/zinc/34/88/00/180348800.db2.gz DMLONNYMUDMFBH-LLVKDONJSA-N 1 0 252.383 2.266 10 0 CEAERO CCCN(C(=O)c1ccc(SC)cc1)C1C[NH2+]C1 ZINC000092232506 180349019 /nfs/dbraw/zinc/34/90/19/180349019.db2.gz KJTRUAADEYYAPB-UHFFFAOYSA-N 1 0 264.394 2.233 10 0 CEAERO CC[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccccc1 ZINC000105872417 186080852 /nfs/dbraw/zinc/08/08/52/186080852.db2.gz DKXYIHDWPLYKDV-UONOGXRCSA-N 1 0 256.353 2.334 10 0 CEAERO CC[C@](C)(CO)[NH2+]C[C@H]1Cc2ccccc2S1 ZINC000092244578 180351993 /nfs/dbraw/zinc/35/19/93/180351993.db2.gz SJRCWEFDDBQUMU-TZMCWYRMSA-N 1 0 251.395 2.454 10 0 CEAERO OC1(C2CC2)C[NH+](C[C@@H]2Cc3ccccc3S2)C1 ZINC000092270284 180355490 /nfs/dbraw/zinc/35/54/90/180355490.db2.gz RRQJGCRUUJMORC-ZDUSSCGKSA-N 1 0 261.390 2.160 10 0 CEAERO C[C@@H]1CN(C[C@@H]2Cc3ccccc3S2)C[C@@H](C)[NH2+]1 ZINC000092267818 180355528 /nfs/dbraw/zinc/35/55/28/180355528.db2.gz ANSWUTZPMGGAPK-BZPMIXESSA-N 1 0 262.422 2.386 10 0 CEAERO CC(C)[NH2+]Cc1ncnn1C[C@@H]1Cc2ccccc2S1 ZINC000092271269 180355850 /nfs/dbraw/zinc/35/58/50/180355850.db2.gz JURCNAIKRQNRDJ-ZDUSSCGKSA-N 1 0 288.420 2.493 10 0 CEAERO C[NH2+]Cc1ccn(C[C@@H]2Cc3ccccc3S2)n1 ZINC000092271938 180356385 /nfs/dbraw/zinc/35/63/85/180356385.db2.gz FMSODJZNTCWDSA-ZDUSSCGKSA-N 1 0 259.378 2.320 10 0 CEAERO CN1C[C@H]([NH2+]C[C@@H]2CSc3ccccc32)CCC1=O ZINC000092275675 180356412 /nfs/dbraw/zinc/35/64/12/180356412.db2.gz SUYHISMTMPOOOH-VXGBXAGGSA-N 1 0 276.405 2.086 10 0 CEAERO c1ccc2c(c1)C[C@@H](CN1CC[NH2+]C[C@@H]1C1CC1)S2 ZINC000092272706 180356653 /nfs/dbraw/zinc/35/66/53/180356653.db2.gz GIOAQOMIPUGMFN-LSDHHAIUSA-N 1 0 274.433 2.387 10 0 CEAERO c1ccc(CC[NH2+]C[C@H]2COc3ccccc32)nc1 ZINC000092299217 180358594 /nfs/dbraw/zinc/35/85/94/180358594.db2.gz VLKZPJAZXBSLOO-ZDUSSCGKSA-N 1 0 254.333 2.390 10 0 CEAERO COCC[NH2+]C[C@@]1(C[C@H]2COc3ccccc32)CCOC1 ZINC000092306249 180360837 /nfs/dbraw/zinc/36/08/37/180360837.db2.gz CZURVZHLPALPTJ-YOEHRIQHSA-N 1 0 291.391 2.195 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](c2nc(Cc3ccc(F)cc3)no2)C1 ZINC000092181357 180338357 /nfs/dbraw/zinc/33/83/57/180338357.db2.gz SVVGJYKNJBRHGE-ZYHUDNBSSA-N 1 0 259.284 2.170 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](c2nc(-c3ccc4nccnc4c3)no2)C1 ZINC000092181919 180338688 /nfs/dbraw/zinc/33/86/88/180338688.db2.gz LMCNMHCSLUCMGG-MNOVXSKESA-N 1 0 279.303 2.051 10 0 CEAERO C[NH2+][C@@H](CN1C(=O)C[C@@H](C)C1=O)c1ccc(C(C)C)cc1 ZINC000105832490 186076355 /nfs/dbraw/zinc/07/63/55/186076355.db2.gz IMQLLOJZMDSGGS-DOMZBBRYSA-N 1 0 288.391 2.466 10 0 CEAERO C[NH2+]Cc1cnn(C[C@@H]2COc3ccccc32)c1C ZINC000092306674 180360759 /nfs/dbraw/zinc/36/07/59/180360759.db2.gz LGQSQGYYLRRANF-CYBMUJFWSA-N 1 0 257.337 2.087 10 0 CEAERO CCc1nn(-c2ccccc2OC)c(CC)c1C[NH3+] ZINC000092320053 180361688 /nfs/dbraw/zinc/36/16/88/180361688.db2.gz IXDGANMGXJNWQQ-UHFFFAOYSA-N 1 0 259.353 2.464 10 0 CEAERO C[NH+](C)C[C@@H]1CN(Cc2csc(C(C)(C)C)n2)CCO1 ZINC000105925698 186091155 /nfs/dbraw/zinc/09/11/55/186091155.db2.gz IYAOFSUTZMHUKZ-CYBMUJFWSA-N 1 0 297.468 2.203 10 0 CEAERO CCc1nn(-c2nc3ccccc3[nH]2)c(CC)c1CC[NH3+] ZINC000092323612 180362200 /nfs/dbraw/zinc/36/22/00/180362200.db2.gz GNRJQHIYVBFEKZ-UHFFFAOYSA-N 1 0 283.379 2.375 10 0 CEAERO Cc1nn(-c2ccc(C)nn2)c(C)c1[C@@H](C)C[NH2+]C1CC1 ZINC000092322871 180362386 /nfs/dbraw/zinc/36/23/86/180362386.db2.gz YMEUCXUYSPJDLZ-JTQLQIEISA-N 1 0 285.395 2.443 10 0 CEAERO Cc1nn(C)c(C)c1CNC(=O)CC[C@@H](CC[NH3+])C(C)C ZINC000092327613 180362999 /nfs/dbraw/zinc/36/29/99/180362999.db2.gz ABTZYHPASYIPDK-AWEZNQCLSA-N 1 0 294.443 2.054 10 0 CEAERO CC[N@@H+]1CCC[C@H](NCc2c(C)nn(C)c2C)CC1 ZINC000092326245 180363186 /nfs/dbraw/zinc/36/31/86/180363186.db2.gz PDMAKUCETIJENB-AWEZNQCLSA-N 1 0 264.417 2.001 10 0 CEAERO CC(C)c1ccc(C[NH2+][C@H]2CC(=O)N(C(C)C)C2=O)cc1 ZINC000106050840 186100189 /nfs/dbraw/zinc/10/01/89/186100189.db2.gz OXNAVLKWMVRHOV-HNNXBMFYSA-N 1 0 288.391 2.436 10 0 CEAERO CC[C@H](C)N1C(=O)C[C@H]([NH2+]C2(C)CCCCC2)C1=O ZINC000106050873 186100748 /nfs/dbraw/zinc/10/07/48/186100748.db2.gz IUVRPSHQPMXFOG-RYUDHWBXSA-N 1 0 266.385 2.225 10 0 CEAERO Cc1noc(C)c1[C@@H](C)[NH2+]C[C@H]1CN(C(C)C)CCO1 ZINC000092339362 180364993 /nfs/dbraw/zinc/36/49/93/180364993.db2.gz DJIOWXOUJKSXRO-RISCZKNCSA-N 1 0 281.400 2.051 10 0 CEAERO COC(=O)[C@H](C[NH2+]Cc1c(C)noc1C)c1ccccc1 ZINC000092339573 180365013 /nfs/dbraw/zinc/36/50/13/180365013.db2.gz SGPIGJZPOYIQOU-OAHLLOKOSA-N 1 0 288.347 2.338 10 0 CEAERO C[C@H](C[NH3+])[C@@H](O)c1c(F)c(F)c(F)c(F)c1F ZINC000106205665 186104069 /nfs/dbraw/zinc/10/40/69/186104069.db2.gz IVHJWUOMRHLVFS-OCDXQBQMSA-N 1 0 255.186 2.010 10 0 CEAERO CC[C@]1(C)CN([C@@H](C)c2c(C)noc2C)CC[NH2+]1 ZINC000092342274 180365732 /nfs/dbraw/zinc/36/57/32/180365732.db2.gz DRUIZTXHEDNWNJ-SMDDNHRTSA-N 1 0 251.374 2.426 10 0 CEAERO O=C1C[C@H]([NH2+]C[C@@H]2CC=CCC2)C(=O)N1c1ccccc1 ZINC000106257845 186105723 /nfs/dbraw/zinc/10/57/23/186105723.db2.gz UBNINGLCPXVRSI-HIFRSBDPSA-N 1 0 284.359 2.264 10 0 CEAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1Cc1cccc(Cl)n1 ZINC000092366933 180369105 /nfs/dbraw/zinc/36/91/05/180369105.db2.gz HNJKJALUSHQIFL-RAIGVLPGSA-N 1 0 265.788 2.165 10 0 CEAERO CCCNc1cccc(CN2CC[C@H]([NH+](C)C)C2)n1 ZINC000092370565 180369677 /nfs/dbraw/zinc/36/96/77/180369677.db2.gz VJMFKOVUANBALV-AWEZNQCLSA-N 1 0 262.401 2.039 10 0 CEAERO CCCNc1cccc(C[N@H+](CCCOC)CCOC)n1 ZINC000092369260 180370235 /nfs/dbraw/zinc/37/02/35/180370235.db2.gz XZZZVEARMFEEDR-UHFFFAOYSA-N 1 0 295.427 2.388 10 0 CEAERO COCC[N@H+](C1CC1)[C@@H]1CCc2ccc(OC)cc2[C@@H]1O ZINC000092387860 180374587 /nfs/dbraw/zinc/37/45/87/180374587.db2.gz HRBHCXLKFQMVKR-SJORKVTESA-N 1 0 291.391 2.154 10 0 CEAERO CC[C@@H]1COCC[N@@H+]1[C@@H]1CCc2ccc(OC)cc2[C@@H]1O ZINC000092387817 180374592 /nfs/dbraw/zinc/37/45/92/180374592.db2.gz ZHGDFRAEBSDZRV-XYPHTWIQSA-N 1 0 291.391 2.154 10 0 CEAERO CC[NH2+][C@H]1c2cc(OC)ccc2CC[C@H]1S(=O)(=O)CC ZINC000092388595 180374926 /nfs/dbraw/zinc/37/49/26/180374926.db2.gz GCALLKJSODTWOV-CABCVRRESA-N 1 0 297.420 2.095 10 0 CEAERO COCCS[C@H]1CCc2ccc(OC)cc2[C@H]1[NH3+] ZINC000092389360 180375381 /nfs/dbraw/zinc/37/53/81/180375381.db2.gz ROOLMVGARLVAFT-UONOGXRCSA-N 1 0 267.394 2.389 10 0 CEAERO COc1cc([C@@H](C)[NH2+][C@H](CO)C(C)C)ccc1O ZINC000092393711 180376203 /nfs/dbraw/zinc/37/62/03/180376203.db2.gz NSQYQNCMOLGAOZ-ZYHUDNBSSA-N 1 0 253.342 2.068 10 0 CEAERO CC(C)[C@@H](CO)[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000092400295 180377388 /nfs/dbraw/zinc/37/73/88/180377388.db2.gz VZECCDPMQCNVKA-CHWSQXEVSA-N 1 0 291.313 2.345 10 0 CEAERO CCN(Cc1cc(Cl)ccn1)[C@@H]1CCC[NH2+]C1 ZINC000092417225 180381109 /nfs/dbraw/zinc/38/11/09/180381109.db2.gz RZRZRWHTRSQGNP-CYBMUJFWSA-N 1 0 253.777 2.309 10 0 CEAERO CCCNc1cc[nH+]c(CN2CCC(C(=O)OC)CC2)c1 ZINC000092417868 180381203 /nfs/dbraw/zinc/38/12/03/180381203.db2.gz UVTYXCGVLUGFFR-UHFFFAOYSA-N 1 0 291.395 2.289 10 0 CEAERO CCNc1cc[nH+]c(CN2CCCC[C@H]2C(=O)OCC)c1 ZINC000092418247 180381600 /nfs/dbraw/zinc/38/16/00/180381600.db2.gz OFIPHYRUICWYOC-HNNXBMFYSA-N 1 0 291.395 2.431 10 0 CEAERO CNc1cc[nH+]c(CN2C[C@@H](C)S[C@@H](C)C2)c1 ZINC000092419294 180381965 /nfs/dbraw/zinc/38/19/65/180381965.db2.gz NPSOWPKMSOZBMI-PHIMTYICSA-N 1 0 251.399 2.449 10 0 CEAERO CCCNc1cc[nH+]c(CN2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000092419459 180382033 /nfs/dbraw/zinc/38/20/33/180382033.db2.gz GJBSLNZPQLCMBA-GASCZTMLSA-N 1 0 261.369 2.267 10 0 CEAERO CNc1cc[nH+]c(COc2cccc(S(C)(=O)=O)c2)c1 ZINC000092420502 180382087 /nfs/dbraw/zinc/38/20/87/180382087.db2.gz OQZCIYABPZVJHW-UHFFFAOYSA-N 1 0 292.360 2.106 10 0 CEAERO CCCCOCCNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106912080 186150262 /nfs/dbraw/zinc/15/02/62/186150262.db2.gz RKBIPLOCSKCGBR-MRXNPFEDSA-N 1 0 292.423 2.092 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@H](OC[C@@H]1CCCO1)CC2 ZINC000092386466 180373888 /nfs/dbraw/zinc/37/38/88/180373888.db2.gz VNVQRMIVJRNHLX-IMJJTQAJSA-N 1 0 277.364 2.205 10 0 CEAERO CC[C@@H]([NH2+]CCNCC(F)(F)F)c1nccs1 ZINC000092435278 180385425 /nfs/dbraw/zinc/38/54/25/180385425.db2.gz TXZUWFLKYDUOSB-MRVPVSSYSA-N 1 0 267.320 2.336 10 0 CEAERO CCOCC[N@@H+]1CCN(Cc2nc(C)cs2)C[C@@H]1CC ZINC000130490375 365961170 /nfs/dbraw/zinc/96/11/70/365961170.db2.gz NERLVEHEPKJSIS-AWEZNQCLSA-N 1 0 297.468 2.384 10 0 CEAERO CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccccc2)ncn1 ZINC000109070090 186242056 /nfs/dbraw/zinc/24/20/56/186242056.db2.gz XKPHJGKSRLYKGI-OAHLLOKOSA-N 1 0 297.406 2.277 10 0 CEAERO CC(C)Cc1ccc([C@@H](O)C[NH2+]C[C@@H](C)CO)cc1 ZINC000109122462 186243855 /nfs/dbraw/zinc/24/38/55/186243855.db2.gz FXMJSXSBMHMXJO-CJNGLKHVSA-N 1 0 265.397 2.137 10 0 CEAERO CC(C)Cc1ccc([C@@H](O)C[NH2+]C[C@H](C)CO)cc1 ZINC000109122464 186244040 /nfs/dbraw/zinc/24/40/40/186244040.db2.gz FXMJSXSBMHMXJO-BBRMVZONSA-N 1 0 265.397 2.137 10 0 CEAERO C[C@H](CO)C[NH2+]C[C@@H](O)c1cc(Cl)ccc1Cl ZINC000109122407 186244075 /nfs/dbraw/zinc/24/40/75/186244075.db2.gz UJMLBPNMAFCAPO-QPUJVOFHSA-N 1 0 278.179 2.245 10 0 CEAERO CC(C)Cc1ccc([C@H](O)C[NH2+]C[C@@H](C)CO)cc1 ZINC000109122460 186244638 /nfs/dbraw/zinc/24/46/38/186244638.db2.gz FXMJSXSBMHMXJO-CZUORRHYSA-N 1 0 265.397 2.137 10 0 CEAERO CCc1ccc([C@H](C)[NH2+]Cc2cc(=O)n3nccc3[nH]2)cc1 ZINC000108850739 186233539 /nfs/dbraw/zinc/23/35/39/186233539.db2.gz STLIEZNXAKBGCE-LBPRGKRZSA-N 1 0 296.374 2.436 10 0 CEAERO C[C@H](c1nc(-c2cccnc2)cs1)N1CC[NH2+]CC1 ZINC000109472064 186255406 /nfs/dbraw/zinc/25/54/06/186255406.db2.gz CZIFQCZWDLULGC-LLVKDONJSA-N 1 0 274.393 2.171 10 0 CEAERO C[NH2+][C@@H](Cc1nc(-c2ccncc2)no1)C(C)(C)C ZINC000109498398 186256458 /nfs/dbraw/zinc/25/64/58/186256458.db2.gz PCSFQHGRCZMGID-NSHDSACASA-N 1 0 260.341 2.308 10 0 CEAERO CCOc1cccc(-c2noc(C[C@H]([NH3+])C3CC3)n2)c1 ZINC000109502861 186257553 /nfs/dbraw/zinc/25/75/53/186257553.db2.gz PKGRUBRMWFZRTM-ZDUSSCGKSA-N 1 0 273.336 2.415 10 0 CEAERO C[NH2+][C@H](C)Cc1nc(Cc2cccc(Cl)c2)no1 ZINC000109501133 186257878 /nfs/dbraw/zinc/25/78/78/186257878.db2.gz XAVQANVTFXRXCM-SECBINFHSA-N 1 0 265.744 2.464 10 0 CEAERO CC[C@@H](c1nc(COc2ccccc2)no1)[C@@H](C)[NH3+] ZINC000109509273 186258172 /nfs/dbraw/zinc/25/81/72/186258172.db2.gz TUGIBYXFFVMZIM-ZYHUDNBSSA-N 1 0 261.325 2.489 10 0 CEAERO COc1ccccc1Cc1noc(C[C@H]([NH3+])C(C)C)n1 ZINC000109513304 186258477 /nfs/dbraw/zinc/25/84/77/186258477.db2.gz QTMRMIWZLBTQAT-LBPRGKRZSA-N 1 0 275.352 2.195 10 0 CEAERO C[NH2+][C@@H](C)[C@@H](C)c1nc(Cc2ccc(OC)cc2)no1 ZINC000109520890 186259057 /nfs/dbraw/zinc/25/90/57/186259057.db2.gz TWHQFVBMSJXBDA-MNOVXSKESA-N 1 0 275.352 2.380 10 0 CEAERO CC[NH2+][C@@H](C)CCc1nc(-c2ncccc2C)no1 ZINC000109519233 186259074 /nfs/dbraw/zinc/25/90/74/186259074.db2.gz RACMAOZWZMICPB-NSHDSACASA-N 1 0 260.341 2.371 10 0 CEAERO CC[NH+](CC)C[C@H](C)Nc1cc(C(=O)N(C)C)ccc1N ZINC000109537973 186260724 /nfs/dbraw/zinc/26/07/24/186260724.db2.gz AQSYKBIFFXUVSO-LBPRGKRZSA-N 1 0 292.427 2.113 10 0 CEAERO C[NH2+][C@@H](C)c1cccc(NC(=O)N[C@@H]2CCCOC2)c1 ZINC000109552735 186262569 /nfs/dbraw/zinc/26/25/69/186262569.db2.gz ZTWBMBQGWRKLPS-SMDDNHRTSA-N 1 0 277.368 2.268 10 0 CEAERO C[NH2+][C@@H]1C(=O)Nc2cc(-n3nc(C)c(Cl)c3C)ccc21 ZINC000109573128 186263650 /nfs/dbraw/zinc/26/36/50/186263650.db2.gz RQJXSTOLQVBHOO-ZDUSSCGKSA-N 1 0 290.754 2.355 10 0 CEAERO C[NH2+][C@H]1C(=O)Nc2cc(-n3ncc4ccccc43)ccc21 ZINC000109573105 186263951 /nfs/dbraw/zinc/26/39/51/186263951.db2.gz RHZIIKORKZDTLM-OAHLLOKOSA-N 1 0 278.315 2.238 10 0 CEAERO CCC[NH2+][C@H]1C(=O)Nc2cc(OC[C@H]3CCCO3)ccc21 ZINC000109573899 186264143 /nfs/dbraw/zinc/26/41/43/186264143.db2.gz RFKANESVCBQTQI-IUODEOHRSA-N 1 0 290.363 2.237 10 0 CEAERO C[C@H]([NH3+])c1cc(F)ccc1N1CCCO[C@@H](C)C1 ZINC000109571807 186264351 /nfs/dbraw/zinc/26/43/51/186264351.db2.gz SCZWDYCKNGZBLP-QWRGUYRKSA-N 1 0 252.333 2.461 10 0 CEAERO C[NH+](C)CCCOc1cc(CO)nc2ccccc21 ZINC000109595127 186264717 /nfs/dbraw/zinc/26/47/17/186264717.db2.gz UVBAIUHNTMGPPD-UHFFFAOYSA-N 1 0 260.337 2.058 10 0 CEAERO C[NH2+]Cc1cc(-n2ccnc2C)c2ccccc2n1 ZINC000109589730 186264893 /nfs/dbraw/zinc/26/48/93/186264893.db2.gz WGQVUVFHEDUMOJ-UHFFFAOYSA-N 1 0 252.321 2.448 10 0 CEAERO CCOC(=O)CN(Cc1ccc(F)cc1C[NH3+])C(C)C ZINC000109604328 186267966 /nfs/dbraw/zinc/26/79/66/186267966.db2.gz ZCJXVCYTDCLSGV-UHFFFAOYSA-N 1 0 282.359 2.058 10 0 CEAERO CCCN(CC(=O)OCC)[C@H](CC[NH3+])c1ccccc1 ZINC000109684934 186268849 /nfs/dbraw/zinc/26/88/49/186268849.db2.gz IIRILCVJHWAWNR-OAHLLOKOSA-N 1 0 278.396 2.352 10 0 CEAERO Cc1nnc(Sc2c(C[NH3+])cnc3ccccc32)n1C ZINC000109686450 186268977 /nfs/dbraw/zinc/26/89/77/186268977.db2.gz AGLLWKDGQFALBC-UHFFFAOYSA-N 1 0 285.376 2.282 10 0 CEAERO CN(C[C@H]1CC[N@H+](C)C1)c1ccc(N)c2cccnc21 ZINC000109357902 186249497 /nfs/dbraw/zinc/24/94/97/186249497.db2.gz RMRMGKKAXJEZAO-LBPRGKRZSA-N 1 0 270.380 2.205 10 0 CEAERO Cn1cnnc1CC[NH2+]Cc1cccc(Cl)c1Cl ZINC000109420733 186251145 /nfs/dbraw/zinc/25/11/45/186251145.db2.gz VGOVPWYHOLTGAL-UHFFFAOYSA-N 1 0 285.178 2.454 10 0 CEAERO Nc1cccc(F)c1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000109427952 186251190 /nfs/dbraw/zinc/25/11/90/186251190.db2.gz LDQJGLNAMYMSJV-LBPRGKRZSA-N 1 0 263.360 2.078 10 0 CEAERO CCC[C@H]([NH2+]CCc1nncn1C)c1ccccc1 ZINC000109420708 186251833 /nfs/dbraw/zinc/25/18/33/186251833.db2.gz GWOUISXQQTUXNU-AWEZNQCLSA-N 1 0 258.369 2.489 10 0 CEAERO Cn1cnnc1CC[NH2+]C1CC(c2ccccc2F)C1 ZINC000109422028 186251872 /nfs/dbraw/zinc/25/18/72/186251872.db2.gz WFAMUCURAYEAFA-UHFFFAOYSA-N 1 0 274.343 2.033 10 0 CEAERO CC[NH2+][C@]1(c2nc3c(s2)CCCC3)CCOC1 ZINC000109432194 186252266 /nfs/dbraw/zinc/25/22/66/186252266.db2.gz WAKOWAAMONRAHX-CYBMUJFWSA-N 1 0 252.383 2.247 10 0 CEAERO CCCC[C@H](CC)C(=O)N1CCN([C@@H](CC)C[NH3+])CC1 ZINC000109448777 186252745 /nfs/dbraw/zinc/25/27/45/186252745.db2.gz RQENNFJFXZSHQB-GJZGRUSLSA-N 1 0 283.460 2.084 10 0 CEAERO C[NH2+]CCc1c(C)nc(-c2cccc(C)n2)nc1C ZINC000110475850 186298310 /nfs/dbraw/zinc/29/83/10/186298310.db2.gz XLLNFANTVVIEDV-UHFFFAOYSA-N 1 0 256.353 2.226 10 0 CEAERO C[NH2+][C@H](CO[C@@H]1CCOC1)c1cc2ccccc2o1 ZINC000110526851 186300791 /nfs/dbraw/zinc/30/07/91/186300791.db2.gz RSTGZZMMPGNFHL-CHWSQXEVSA-N 1 0 261.321 2.499 10 0 CEAERO [NH3+]C[C@@H](C(=O)Nc1nc2ccccc2[nH]1)c1ccccc1 ZINC000110537939 186302052 /nfs/dbraw/zinc/30/20/52/186302052.db2.gz FDDSIXLFCMTEHK-GFCCVEGCSA-N 1 0 280.331 2.244 10 0 CEAERO CC(C)(C)[NH2+]Cc1occc1CO[C@H]1CCOC1 ZINC000110532904 186302091 /nfs/dbraw/zinc/30/20/91/186302091.db2.gz OGDRQAIPDZNIHZ-LBPRGKRZSA-N 1 0 253.342 2.473 10 0 CEAERO C[NH2+][C@H](C)c1ccc(NC(=O)Nc2ncc[nH]2)cc1 ZINC000110538994 186302628 /nfs/dbraw/zinc/30/26/28/186302628.db2.gz LMQUHWBEJWLTDC-SECBINFHSA-N 1 0 259.313 2.334 10 0 CEAERO [NH3+]Cc1cccc(NC(=O)[C@@H]2COc3ccccc3C2)c1 ZINC000110539577 186302701 /nfs/dbraw/zinc/30/27/01/186302701.db2.gz FAZPIVSZTOFHMZ-AWEZNQCLSA-N 1 0 282.343 2.335 10 0 CEAERO CCOc1ccc([C@]2(O)CCC[NH2+]C2)cc1OCC ZINC000110551248 186303477 /nfs/dbraw/zinc/30/34/77/186303477.db2.gz BZIBBOANBNSIHM-HNNXBMFYSA-N 1 0 265.353 2.055 10 0 CEAERO C[C@@H]1CN(C(=O)CC2CCC(C[NH3+])CC2)CC(C)(C)O1 ZINC000110618094 186306103 /nfs/dbraw/zinc/30/61/03/186306103.db2.gz GLPDKVOEHVFYAY-IYXRBSQSSA-N 1 0 282.428 2.168 10 0 CEAERO C[C@H]([NH3+])C1CCN(Cc2noc(-c3ccsc3)n2)CC1 ZINC000110649314 186309733 /nfs/dbraw/zinc/30/97/33/186309733.db2.gz ZIHXLHKNBKNZIC-JTQLQIEISA-N 1 0 292.408 2.357 10 0 CEAERO CC[C@H]([NH3+])[C@H](Oc1ccccc1CO)c1cccnc1 ZINC000110993137 186341239 /nfs/dbraw/zinc/34/12/39/186341239.db2.gz ZNGFMJLLVPKDMR-GOEBONIOSA-N 1 0 272.348 2.431 10 0 CEAERO CN(CC1CCCC1)S(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000110838667 186328482 /nfs/dbraw/zinc/32/84/82/186328482.db2.gz ZHAXGTWBBHJDQH-UHFFFAOYSA-N 1 0 296.436 2.097 10 0 CEAERO CC[NH2+][C@H](CO)c1ccc(OC)c(OC)c1Cl ZINC000110831566 186328543 /nfs/dbraw/zinc/32/85/43/186328543.db2.gz BASCBJRZRQWISE-SECBINFHSA-N 1 0 259.733 2.000 10 0 CEAERO OCC1([NH2+]Cc2[nH]nnc2-c2ccccc2)CCCCC1 ZINC000110925427 186333707 /nfs/dbraw/zinc/33/37/07/186333707.db2.gz ASYMSWMZTXESRB-UHFFFAOYSA-N 1 0 286.379 2.257 10 0 CEAERO CCN(CCC(=O)Nc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000110942918 186334138 /nfs/dbraw/zinc/33/41/38/186334138.db2.gz ITVICULRHSYAEY-OAHLLOKOSA-N 1 0 275.396 2.089 10 0 CEAERO CCN(C(=O)c1cc2c(s1)CCC2)[C@H]1CCC[NH2+]C1 ZINC000110939994 186334491 /nfs/dbraw/zinc/33/44/91/186334491.db2.gz LMEALBOVPYGTMS-LBPRGKRZSA-N 1 0 278.421 2.451 10 0 CEAERO CCCn1cccc1C(=O)N(CC)[C@H]1CCC[NH2+]C1 ZINC000110940057 186334653 /nfs/dbraw/zinc/33/46/53/186334653.db2.gz OUZWXTDIJJBORX-ZDUSSCGKSA-N 1 0 263.385 2.112 10 0 CEAERO CCN(CC(=O)Nc1cc(F)ccc1C)[C@@H]1CCC[NH2+]C1 ZINC000110944408 186335440 /nfs/dbraw/zinc/33/54/40/186335440.db2.gz NCAWVQPNRCZDGP-CQSZACIVSA-N 1 0 293.386 2.147 10 0 CEAERO CCN(CC(=O)N(C)C1CCC(C)CC1)[C@H]1CCC[NH2+]C1 ZINC000110944918 186335453 /nfs/dbraw/zinc/33/54/53/186335453.db2.gz JCKCZHOFWOAYKF-GPANFISMSA-N 1 0 295.471 2.097 10 0 CEAERO CCCN(Cc1cnc(C)s1)[C@@H]1CCC[NH2+]C1 ZINC000110946777 186335772 /nfs/dbraw/zinc/33/57/72/186335772.db2.gz MBXPDPJVHOTTRG-GFCCVEGCSA-N 1 0 253.415 2.416 10 0 CEAERO CCN(Cc1cc(F)ccc1OC)[C@H]1CCC[NH2+]C1 ZINC000110943850 186335847 /nfs/dbraw/zinc/33/58/47/186335847.db2.gz YBCYHWZINHXHCP-AWEZNQCLSA-N 1 0 266.360 2.408 10 0 CEAERO C[N@@H+]1CCN(Cc2ccc(N)c3cccnc23)CC1(C)C ZINC000110704517 186313767 /nfs/dbraw/zinc/31/37/67/186313767.db2.gz GDBSCVRDRMLLGN-UHFFFAOYSA-N 1 0 284.407 2.343 10 0 CEAERO CC[C@@H]1CN(C(=O)c2ccc(Cl)cc2N)CC[N@@H+]1C ZINC000110700864 186314700 /nfs/dbraw/zinc/31/47/00/186314700.db2.gz XJWGJLNNSISRAL-LLVKDONJSA-N 1 0 281.787 2.088 10 0 CEAERO CC[C@@H]1CN(CCCOc2cccc(N)c2)CC[N@@H+]1C ZINC000110703504 186314721 /nfs/dbraw/zinc/31/47/21/186314721.db2.gz FMZSPXFGRIGNIQ-OAHLLOKOSA-N 1 0 277.412 2.064 10 0 CEAERO CC[C@@H]1CN(CCOc2ccccc2C(C)=O)CC[N@@H+]1C ZINC000110728733 186317399 /nfs/dbraw/zinc/31/73/99/186317399.db2.gz MVSUBOBFVIAIJI-OAHLLOKOSA-N 1 0 290.407 2.294 10 0 CEAERO Cc1ccc(C)c([C@@H](O)C[N@H+]2CCN(C)C(C)(C)C2)c1 ZINC000110736592 186319304 /nfs/dbraw/zinc/31/93/04/186319304.db2.gz DRHZUNJUYUASHF-INIZCTEOSA-N 1 0 276.424 2.363 10 0 CEAERO CC[C@H]1CN(CCNc2ccccc2F)CC[N@@H+]1C ZINC000110757242 186320261 /nfs/dbraw/zinc/32/02/61/186320261.db2.gz SDJAXTTVYFQWRC-ZDUSSCGKSA-N 1 0 265.376 2.264 10 0 CEAERO CC[N@@H+]1CCN(c2nc(C)c([C@@H](C)O)s2)C[C@@H]1C ZINC000110759429 186321965 /nfs/dbraw/zinc/32/19/65/186321965.db2.gz ZLTGALGZEHCUCS-GXSJLCMTSA-N 1 0 269.414 2.035 10 0 CEAERO CC[C@H]1CN(C(=O)c2cccc3[nH]ccc32)CC[N@@H+]1C ZINC000110767549 186322803 /nfs/dbraw/zinc/32/28/03/186322803.db2.gz JWTDATMCVOVMKF-LBPRGKRZSA-N 1 0 271.364 2.334 10 0 CEAERO CCOc1cc(N(C)CC2CC[NH+](C)CC2)ccc1N ZINC000111056309 186349343 /nfs/dbraw/zinc/34/93/43/186349343.db2.gz WJIPGOHOSNUXPO-UHFFFAOYSA-N 1 0 277.412 2.446 10 0 CEAERO CC[NH+]1CCC(CNC(=O)c2c(N)cccc2Cl)CC1 ZINC000111012084 186342876 /nfs/dbraw/zinc/34/28/76/186342876.db2.gz RLMPJGNYZXUKPP-UHFFFAOYSA-N 1 0 295.814 2.384 10 0 CEAERO CC(C)[C@H](C[NH+](C)C)NC(=O)c1c(N)cccc1Cl ZINC000111011721 186343131 /nfs/dbraw/zinc/34/31/31/186343131.db2.gz RNVHFOFEMJXKCQ-LBPRGKRZSA-N 1 0 283.803 2.238 10 0 CEAERO CC[C@H](C)[NH+]1CCN(C(=O)c2c(N)cccc2Cl)CC1 ZINC000111012584 186343288 /nfs/dbraw/zinc/34/32/88/186343288.db2.gz MBPMJGODHUVMND-NSHDSACASA-N 1 0 295.814 2.479 10 0 CEAERO NC(=[NH2+])c1cc(F)ccc1OC[C@H]1CCCCO1 ZINC000111035128 186346806 /nfs/dbraw/zinc/34/68/06/186346806.db2.gz OBHFVABWDZXVST-SNVBAGLBSA-N 1 0 252.289 2.058 10 0 CEAERO CC[NH+](CC)CCOc1ccc(F)cc1C(N)=S ZINC000111034000 186346912 /nfs/dbraw/zinc/34/69/12/186346912.db2.gz BHSPMXJOMXSMNS-UHFFFAOYSA-N 1 0 270.373 2.181 10 0 CEAERO C[N@H+](C[C@@H]1CCCOC1)[C@@H]1CCc2ccccc2[C@@H]1N ZINC000111160781 186362439 /nfs/dbraw/zinc/36/24/39/186362439.db2.gz NQHQGKLOWQBBLH-XKQJLSEDSA-N 1 0 274.408 2.360 10 0 CEAERO C[C@H]([C@@H](N)c1ccccc1)[N@H+](C)CC1CCOCC1 ZINC000111161610 186363296 /nfs/dbraw/zinc/36/32/96/186363296.db2.gz WPEVOQJWCIWQRN-CZUORRHYSA-N 1 0 262.397 2.433 10 0 CEAERO CCCOCCO[C@H]1CCc2cc(OC)ccc2[C@@H]1[NH3+] ZINC000111107326 186352826 /nfs/dbraw/zinc/35/28/26/186352826.db2.gz MHKYYMZSHUYPKX-HOTGVXAUSA-N 1 0 279.380 2.453 10 0 CEAERO CCCOCCOC(=O)Nc1ccc(C[NH3+])cc1 ZINC000111109597 186354170 /nfs/dbraw/zinc/35/41/70/186354170.db2.gz PHXGPJBUIQDZCQ-UHFFFAOYSA-N 1 0 252.314 2.120 10 0 CEAERO CCOCCN(CC)C[C@@H]([NH3+])c1ccccc1OCC ZINC000111118684 186355366 /nfs/dbraw/zinc/35/53/66/186355366.db2.gz FAZUNYNZHXSMPQ-OAHLLOKOSA-N 1 0 280.412 2.444 10 0 CEAERO CCCOc1cc(N(C)CC[NH+](C)C)c(N)cc1F ZINC000111132043 186356382 /nfs/dbraw/zinc/35/63/82/186356382.db2.gz RCWKHLLVYNLREQ-UHFFFAOYSA-N 1 0 269.364 2.195 10 0 CEAERO CC(=O)c1cc(F)ccc1N(C)CCC[NH+](C)C ZINC000111138309 186357376 /nfs/dbraw/zinc/35/73/76/186357376.db2.gz WRNTTYYGFXKWEQ-UHFFFAOYSA-N 1 0 252.333 2.416 10 0 CEAERO CN(CC[NH+](C)C)Cc1cc2ccccc2cc1N ZINC000111140439 186357657 /nfs/dbraw/zinc/35/76/57/186357657.db2.gz DDEHEDCCVZDIHS-UHFFFAOYSA-N 1 0 257.381 2.415 10 0 CEAERO CN(C)CC[N@H+](C)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1O ZINC000111142796 186358445 /nfs/dbraw/zinc/35/84/45/186358445.db2.gz VLLWSWWYHQVHOJ-MJBXVCDLSA-N 1 0 256.434 2.056 10 0 CEAERO CCOC(CC[N@H+](C)CC1CCOCC1)OCC ZINC000111166341 186363754 /nfs/dbraw/zinc/36/37/54/186363754.db2.gz OWNQNMLJRJTNCI-UHFFFAOYSA-N 1 0 259.390 2.134 10 0 CEAERO Cc1ccccc1[C@H](N)C[N@@H+](C)CC1CCOCC1 ZINC000111161585 186363967 /nfs/dbraw/zinc/36/39/67/186363967.db2.gz QHYFCYPXXQONOD-MRXNPFEDSA-N 1 0 262.397 2.353 10 0 CEAERO Cc1cc(C)c(C(N)=S)c(N(C)C[C@H]2CCCOC2)[nH+]1 ZINC000111178325 186365620 /nfs/dbraw/zinc/36/56/20/186365620.db2.gz DWCBPHZEHQCWDQ-GFCCVEGCSA-N 1 0 293.436 2.195 10 0 CEAERO c1cc(-c2nnc(CC[NH2+]C3CC3)o2)cc2c1COC2 ZINC000111307071 186394623 /nfs/dbraw/zinc/39/46/23/186394623.db2.gz LVDUCQDQEFXMBB-UHFFFAOYSA-N 1 0 271.320 2.061 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@@H]1NC(=O)c1ccc2c(c1)COC2 ZINC000111306403 186395044 /nfs/dbraw/zinc/39/50/44/186395044.db2.gz OPBJVAWDZVANQS-CABCVRRESA-N 1 0 274.364 2.107 10 0 CEAERO CCC[NH2+]CCCCSc1nnc(N(C)C)s1 ZINC000111317329 186395488 /nfs/dbraw/zinc/39/54/88/186395488.db2.gz QXALJZUWYCVUJI-UHFFFAOYSA-N 1 0 274.459 2.476 10 0 CEAERO CN(C)c1nnc(Sc2ccccc2C[NH3+])s1 ZINC000111316220 186396443 /nfs/dbraw/zinc/39/64/43/186396443.db2.gz IJCKWGAMNAVDFP-UHFFFAOYSA-N 1 0 266.395 2.214 10 0 CEAERO Cc1cccc(CN(C)[C@@H](C[NH3+])[C@@H]2CCCOC2)c1 ZINC000111320786 186396756 /nfs/dbraw/zinc/39/67/56/186396756.db2.gz ZJXABNOBGHFFDR-CVEARBPZSA-N 1 0 262.397 2.181 10 0 CEAERO CN(C[C@@]1(C[NH3+])CCCOC1)c1cccc(F)c1 ZINC000111327482 186398416 /nfs/dbraw/zinc/39/84/16/186398416.db2.gz ONCOALOGFQFVOE-AWEZNQCLSA-N 1 0 252.333 2.017 10 0 CEAERO C[NH2+]C[C@]1(CN(C)Cc2ccccc2OC)CCCOC1 ZINC000111327280 186398760 /nfs/dbraw/zinc/39/87/60/186398760.db2.gz AZTWXAJYWBADMN-KRWDZBQOSA-N 1 0 292.423 2.143 10 0 CEAERO Cc1ccc(C[N@@H+](C)C[C@@]2(CO)CCCOC2)cc1 ZINC000111331086 186399448 /nfs/dbraw/zinc/39/94/48/186399448.db2.gz UCLLOCQCWGBCDN-MRXNPFEDSA-N 1 0 263.381 2.216 10 0 CEAERO CCOc1ccc(C(=O)CN(C)CCC[NH+](C)C)cc1 ZINC000111239038 186374944 /nfs/dbraw/zinc/37/49/44/186374944.db2.gz JZBDKWDXAITNHL-UHFFFAOYSA-N 1 0 278.396 2.152 10 0 CEAERO CCOCCN(CC)[C@H](C[NH3+])c1cccc(F)c1 ZINC000111238864 186375203 /nfs/dbraw/zinc/37/52/03/186375203.db2.gz WVFZJEOEVWHPIC-CQSZACIVSA-N 1 0 254.349 2.184 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1c1nc(-c2ccc(F)c(F)c2)no1 ZINC000111256467 186378995 /nfs/dbraw/zinc/37/89/95/186378995.db2.gz YTJOZLRKFAAWNA-IONNQARKSA-N 1 0 265.263 2.338 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000111255808 186379581 /nfs/dbraw/zinc/37/95/81/186379581.db2.gz OAMHBSGDXQSVRV-VHSXEESVSA-N 1 0 273.336 2.047 10 0 CEAERO CCOc1cccc(-c2noc([C@H]3C[NH2+]C[C@@H]3C)n2)c1 ZINC000111256401 186379701 /nfs/dbraw/zinc/37/97/01/186379701.db2.gz DWQCVTFOPGEXGI-GWCFXTLKSA-N 1 0 273.336 2.458 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccccc1OC(F)(F)F ZINC000111263168 186380108 /nfs/dbraw/zinc/38/01/08/186380108.db2.gz KOXZNVZRRKHSKB-RKDXNWHRSA-N 1 0 288.269 2.379 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccccc1C(F)(F)F ZINC000111262874 186380325 /nfs/dbraw/zinc/38/03/25/186380325.db2.gz XMGBRIRJTBQHFS-RKDXNWHRSA-N 1 0 272.270 2.499 10 0 CEAERO COc1cc(OC)c(NC(=O)[C@H]2C[NH2+]C[C@H]2C)cc1Cl ZINC000111263099 186380446 /nfs/dbraw/zinc/38/04/46/186380446.db2.gz UHLURJZRFSXQOH-BDAKNGLRSA-N 1 0 298.770 2.151 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc2cnccc21 ZINC000111265025 186381282 /nfs/dbraw/zinc/38/12/82/186381282.db2.gz NOZGHXJMAXGLRP-GXFFZTMASA-N 1 0 255.321 2.029 10 0 CEAERO C[C@H](NC(=O)[C@@H]1C[NH2+]C[C@@H]1C)c1cccc(OC(F)F)c1 ZINC000111264839 186381372 /nfs/dbraw/zinc/38/13/72/186381372.db2.gz FSVLZVXLLKLKGO-OUJBWJOFSA-N 1 0 298.333 2.321 10 0 CEAERO CCOc1cc(C)ccc1NC(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000111267589 186382509 /nfs/dbraw/zinc/38/25/09/186382509.db2.gz QPJQSYKRRKCZQJ-NEPJUHHUSA-N 1 0 262.353 2.188 10 0 CEAERO CCC(=O)Nc1cccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2C)c1C ZINC000111266951 186382662 /nfs/dbraw/zinc/38/26/62/186382662.db2.gz MVNQMQDDSNALFK-JQWIXIFHSA-N 1 0 289.379 2.138 10 0 CEAERO CCOc1ccc([C@H](C)NC(=O)[C@H]2C[NH2+]C[C@@H]2C)cc1 ZINC000111267081 186382939 /nfs/dbraw/zinc/38/29/39/186382939.db2.gz XCJCSXIDXXTRCP-HUBLWGQQSA-N 1 0 276.380 2.118 10 0 CEAERO CC(C)[C@H](CNC(=O)c1ccc2[nH]ccc2c1)[NH+](C)C ZINC000111277312 186386317 /nfs/dbraw/zinc/38/63/17/186386317.db2.gz IXRZJANUAYFGIP-HNNXBMFYSA-N 1 0 273.380 2.484 10 0 CEAERO [NH3+]Cc1ccc(C(=O)Nc2cc(F)c(F)c(F)c2)nc1 ZINC000111282380 186389317 /nfs/dbraw/zinc/38/93/17/186389317.db2.gz KYKJMMKKZOUBDA-UHFFFAOYSA-N 1 0 281.237 2.210 10 0 CEAERO Cc1nn(C)c(N2CC[C@@H](c3ccccc3)C2)c1CC[NH3+] ZINC000111480621 186422704 /nfs/dbraw/zinc/42/27/04/186422704.db2.gz FWQVGJLONDCIHZ-OAHLLOKOSA-N 1 0 284.407 2.224 10 0 CEAERO CC[C@@H]([NH3+])Cc1c(C)nn(C)c1N(C)CC1CCC1 ZINC000111496852 186423431 /nfs/dbraw/zinc/42/34/31/186423431.db2.gz GTCGIQYSBFTKEA-CYBMUJFWSA-N 1 0 264.417 2.245 10 0 CEAERO Cc1nn(C)c(N2CCCCCCC2)c1C[C@H](C)[NH3+] ZINC000111490151 186424034 /nfs/dbraw/zinc/42/40/34/186424034.db2.gz FHYUTHTWILLDLX-LBPRGKRZSA-N 1 0 264.417 2.389 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccc(N(C)Cc2nccn2C)c(F)c1 ZINC000111500169 186424909 /nfs/dbraw/zinc/42/49/09/186424909.db2.gz KRTPGNMOUOJUOD-CYBMUJFWSA-N 1 0 290.386 2.475 10 0 CEAERO CCCN(CC(F)(F)F)c1c(C[C@H](C)[NH3+])c(C)nn1C ZINC000111501736 186425028 /nfs/dbraw/zinc/42/50/28/186425028.db2.gz FQZTXJMPXGSJMP-VIFPVBQESA-N 1 0 292.349 2.397 10 0 CEAERO CC1(C[NH2+][C@@H]2CC(=O)N(C3CCCC3)C2=O)CCCC1 ZINC000111620569 186433300 /nfs/dbraw/zinc/43/33/00/186433300.db2.gz YJJKVTIPNBUUSU-CYBMUJFWSA-N 1 0 278.396 2.226 10 0 CEAERO CCCCNC(=O)[C@H](C)N1CCCC[C@@H]1C[NH2+]C(C)C ZINC000111702475 186446175 /nfs/dbraw/zinc/44/61/75/186446175.db2.gz QSFRJEJYQMHWIF-LSDHHAIUSA-N 1 0 283.460 2.144 10 0 CEAERO CC(C)C[NH2+]C[C@H]1CCCCN1Cc1ccno1 ZINC000111704538 186448182 /nfs/dbraw/zinc/44/81/82/186448182.db2.gz QRAJABOINGACOH-CYBMUJFWSA-N 1 0 251.374 2.275 10 0 CEAERO [NH3+]C1CCC(OCCNc2ncnc3ccccc32)CC1 ZINC000111792802 186458036 /nfs/dbraw/zinc/45/80/36/186458036.db2.gz JAQWUOHUZBNNOG-UHFFFAOYSA-N 1 0 286.379 2.328 10 0 CEAERO CCCC[C@@H](COC)[NH2+][C@@H](C)c1nnc2n1CCCC2 ZINC000131023857 366013586 /nfs/dbraw/zinc/01/35/86/366013586.db2.gz BIDGRZKGGSXNMT-STQMWFEESA-N 1 0 280.416 2.470 10 0 CEAERO Cc1nn(C)c(N(CC(C)C)CC(C)C)c1C(N)=[NH2+] ZINC000111358304 186405148 /nfs/dbraw/zinc/40/51/48/186405148.db2.gz JEJULEHERYAPTL-UHFFFAOYSA-N 1 0 265.405 2.131 10 0 CEAERO COc1ccccc1CC(=O)N(CC[NH3+])C1CCCCC1 ZINC000111362964 186405506 /nfs/dbraw/zinc/40/55/06/186405506.db2.gz ULKBNSQFMIJBGN-UHFFFAOYSA-N 1 0 290.407 2.358 10 0 CEAERO COc1cccc(CC(=O)N[C@@]2(C[NH3+])CCC[C@H](C)C2)c1 ZINC000111369615 186407924 /nfs/dbraw/zinc/40/79/24/186407924.db2.gz BPQKZOSNTAOVIM-GUYCJALGSA-N 1 0 290.407 2.262 10 0 CEAERO C[C@H]1CCC[C@@](C[NH3+])(Nc2ccnc(C(=O)N(C)C)c2)C1 ZINC000111378849 186409910 /nfs/dbraw/zinc/40/99/10/186409910.db2.gz XWSVUEHTDPQLPY-BLLLJJGKSA-N 1 0 290.411 2.103 10 0 CEAERO [NH3+]CCc1cccc(-c2nc(-c3ccco3)no2)c1 ZINC000111404453 186413088 /nfs/dbraw/zinc/41/30/88/186413088.db2.gz NLVOOJCHCATAOR-UHFFFAOYSA-N 1 0 255.277 2.498 10 0 CEAERO CCC[C@@H](O)C[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000131105887 366019635 /nfs/dbraw/zinc/01/96/35/366019635.db2.gz NONBZGRJKAYBTN-GXFFZTMASA-N 1 0 253.390 2.331 10 0 CEAERO CN1CC[C@@H](C[NH3+])[C@@H]1c1cc(Br)cs1 ZINC000069796283 363001359 /nfs/dbraw/zinc/00/13/59/363001359.db2.gz QQXGALQCTGPRTA-OIBJUYFYSA-N 1 0 275.215 2.462 10 0 CEAERO CCc1cc2c(ncnc2NC[C@@H]([NH3+])C2CC2)s1 ZINC000113502503 186581754 /nfs/dbraw/zinc/58/17/54/186581754.db2.gz BYMZKUYBRRZNSD-LLVKDONJSA-N 1 0 262.382 2.403 10 0 CEAERO CC[C@]([NH3+])(CCCS(C)(=O)=O)Cc1ccccc1 ZINC000116384869 186710861 /nfs/dbraw/zinc/71/08/61/186710861.db2.gz KCNOAIWJZVPEPA-AWEZNQCLSA-N 1 0 269.410 2.161 10 0 CEAERO CO[C@H]1C[NH2+][C@@](C)(c2nc(-c3ccsc3)no2)C1 ZINC000629688999 351473011 /nfs/dbraw/zinc/47/30/11/351473011.db2.gz XNMJKDAHKMFHGM-BXKDBHETSA-N 1 0 265.338 2.022 10 0 CEAERO O[C@H](COCc1ccccc1)C[N@@H+]1CCCSCC1 ZINC000070380072 363076702 /nfs/dbraw/zinc/07/67/02/363076702.db2.gz FUYMKDDMCAZHCS-HNNXBMFYSA-N 1 0 281.421 2.003 10 0 CEAERO C[C@@H]1CC[C@@H](Nc2ncccc2Br)C[NH2+]1 ZINC000630091407 351615311 /nfs/dbraw/zinc/61/53/11/351615311.db2.gz GSDKJBDPPLPKLZ-RKDXNWHRSA-N 1 0 270.174 2.397 10 0 CEAERO C[C@H]1CN(C(=O)c2cscc2C(F)(F)F)C[C@H]1C[NH3+] ZINC000630093702 351616542 /nfs/dbraw/zinc/61/65/42/351616542.db2.gz PDRGWMRXABKVSE-JGVFFNPUSA-N 1 0 292.326 2.434 10 0 CEAERO COc1ccccc1-c1cc(N2CCC[C@@H]([NH3+])C2)n[nH]1 ZINC000070460133 363086862 /nfs/dbraw/zinc/08/68/62/363086862.db2.gz WDDZNWNXLJMGFU-LLVKDONJSA-N 1 0 272.352 2.013 10 0 CEAERO CO[C@@H]1CN(Cc2c(F)cccc2Cl)[C@@](C)(C[NH3+])C1 ZINC000630354934 351709904 /nfs/dbraw/zinc/70/99/04/351709904.db2.gz BYVOWYKIKFCRBG-IINYFYTJSA-N 1 0 286.778 2.417 10 0 CEAERO CCc1ccc(CN2C[C@@H](OC)C[C@]2(C)C[NH3+])cc1 ZINC000630366207 351713502 /nfs/dbraw/zinc/71/35/02/351713502.db2.gz UICQINMPYMVRFK-JKSUJKDBSA-N 1 0 262.397 2.187 10 0 CEAERO CO[C@@H]1CN(Cc2nc3ccccc3s2)[C@@](C)(C[NH3+])C1 ZINC000630367308 351714053 /nfs/dbraw/zinc/71/40/53/351714053.db2.gz NRPOGOYDBSRQRW-XHDPSFHLSA-N 1 0 291.420 2.234 10 0 CEAERO CC[C@H](CC(F)F)CN1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630366353 351714785 /nfs/dbraw/zinc/71/47/85/351714785.db2.gz KDYQCZLXKWLDSW-NQBHXWOUSA-N 1 0 264.360 2.106 10 0 CEAERO C[C@]12C[NH2+]C[C@@]1(C)CN(c1ncnc3ccsc31)C2 ZINC000630537786 351776783 /nfs/dbraw/zinc/77/67/83/351776783.db2.gz DQPKGQQAVRKLQK-OKILXGFUSA-N 1 0 274.393 2.127 10 0 CEAERO [NH3+][C@@H]1CCCCCN(c2cnc3ccccc3n2)C1 ZINC000630550792 351781241 /nfs/dbraw/zinc/78/12/41/351781241.db2.gz VGDNPTWMPCLHDQ-GFCCVEGCSA-N 1 0 256.353 2.338 10 0 CEAERO CCc1ccc(-c2cc(N3CC[C@H]([NH3+])C3)n[nH]2)cc1 ZINC000070460182 363088637 /nfs/dbraw/zinc/08/86/37/363088637.db2.gz ZJEYUPCMVWDMPG-ZDUSSCGKSA-N 1 0 256.353 2.177 10 0 CEAERO [NH3+][C@H](CCNc1cn[nH]c(=O)c1Cl)Cc1ccccc1 ZINC000630570945 351788030 /nfs/dbraw/zinc/78/80/30/351788030.db2.gz NAEWGTTXCZDTJL-LLVKDONJSA-N 1 0 292.770 2.208 10 0 CEAERO Cc1cnc(C)c(N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)n1 ZINC000630526190 351773435 /nfs/dbraw/zinc/77/34/35/351773435.db2.gz AWIPWGVLNQMKPS-WDEREUQCSA-N 1 0 288.317 2.057 10 0 CEAERO CCC[C@@H](C(=O)Nc1ncc(CC)s1)[NH+](C)C ZINC000121928688 187005748 /nfs/dbraw/zinc/00/57/48/187005748.db2.gz UBKXCHXUXBAFLY-JTQLQIEISA-N 1 0 255.387 2.374 10 0 CEAERO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1cccc(CO)c1 ZINC000121932645 187005864 /nfs/dbraw/zinc/00/58/64/187005864.db2.gz SFQNUAFRWQCYTA-RCBQFDQVSA-N 1 0 263.381 2.381 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cc(F)ccc2OC)C1 ZINC000122112431 187015744 /nfs/dbraw/zinc/01/57/44/187015744.db2.gz ZFXQVAURMMOOEP-LBPRGKRZSA-N 1 0 295.358 2.440 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H](c2nc(Cc3cccnc3)no2)C1 ZINC000070557727 363095499 /nfs/dbraw/zinc/09/54/99/363095499.db2.gz XYYPSFMCIXXFMU-VXGBXAGGSA-N 1 0 258.325 2.040 10 0 CEAERO C[C@@H]1CN(Cc2cnc(Cl)s2)C[C@@H]1[NH+](C)C ZINC000124117948 187122703 /nfs/dbraw/zinc/12/27/03/187122703.db2.gz AKCIBVJQJMRQLY-SCZZXKLOSA-N 1 0 259.806 2.178 10 0 CEAERO C[C@H]1CN(Cc2cccc(Cl)n2)C[C@@H]1[NH+](C)C ZINC000124122568 187123464 /nfs/dbraw/zinc/12/34/64/187123464.db2.gz YDBSIAZCUSJYLE-JQWIXIFHSA-N 1 0 253.777 2.117 10 0 CEAERO COc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CCOCC2)cc1 ZINC000123486395 187095055 /nfs/dbraw/zinc/09/50/55/187095055.db2.gz FKFFPJDOOTWHLQ-KGLIPLIRSA-N 1 0 278.396 2.067 10 0 CEAERO CC[C@H](O)C[NH+]1CCN(Cc2cccc3[nH]ccc32)CC1 ZINC000123614557 187101008 /nfs/dbraw/zinc/10/10/08/187101008.db2.gz CJVZZKCJMHLFPR-HNNXBMFYSA-N 1 0 287.407 2.056 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NC1CCC(OC(C)C)CC1 ZINC000237057282 539829736 /nfs/dbraw/zinc/82/97/36/539829736.db2.gz URPLQSITBBYSFR-GFJIZPEISA-N 1 0 270.417 2.212 10 0 CEAERO Cc1ccc(C(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)cc1N ZINC000094446625 539879382 /nfs/dbraw/zinc/87/93/82/539879382.db2.gz KJLVOMYPNSPGTP-DZGCQCFKSA-N 1 0 287.407 2.276 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)C1 ZINC000252639747 539883691 /nfs/dbraw/zinc/88/36/91/539883691.db2.gz KDHGUQKPOLDSOY-KBUPBQIOSA-N 1 0 254.418 2.121 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCc2ccccc2CC1 ZINC000094648567 539883789 /nfs/dbraw/zinc/88/37/89/539883789.db2.gz RNHRDLZRKZWJKB-XJKSGUPXSA-N 1 0 272.392 2.002 10 0 CEAERO CC[NH2+]CC1CCN(c2ncnc3c2CCCC3)CC1 ZINC000094872846 539887148 /nfs/dbraw/zinc/88/71/48/539887148.db2.gz LCPCPHZFLCXIFP-UHFFFAOYSA-N 1 0 274.412 2.181 10 0 CEAERO Cn1nccc1C1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000195502272 282861371 /nfs/dbraw/zinc/86/13/71/282861371.db2.gz GKTPETQOGUBZCI-KRWDZBQOSA-N 1 0 285.391 2.333 10 0 CEAERO Cc1cc(Cl)ccc1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000152215321 188003128 /nfs/dbraw/zinc/00/31/28/188003128.db2.gz BXGUAZWLPPBOMW-ZDUSSCGKSA-N 1 0 296.798 2.051 10 0 CEAERO CC1(C)CCCC[C@@H]1NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000251149691 539971928 /nfs/dbraw/zinc/97/19/28/539971928.db2.gz KZRCWHLLPRZCIU-AVGNSLFASA-N 1 0 252.402 2.446 10 0 CEAERO CC[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(F)cc1F ZINC000154952836 188173080 /nfs/dbraw/zinc/17/30/80/188173080.db2.gz BVBKIMSQXZFYKV-DOMZBBRYSA-N 1 0 284.350 2.336 10 0 CEAERO Cc1ccc(CC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000155692078 188220921 /nfs/dbraw/zinc/22/09/21/188220921.db2.gz CATKMPYLSRLGMU-HOCLYGCPSA-N 1 0 274.408 2.382 10 0 CEAERO CNC(=O)CC[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000156740599 188279035 /nfs/dbraw/zinc/27/90/35/188279035.db2.gz HHSHIYGYFGMHKI-OAHLLOKOSA-N 1 0 260.381 2.426 10 0 CEAERO CCC[C@H](C(=O)NCc1ccc(OC)cc1)[NH+](C)C ZINC000156787478 188282034 /nfs/dbraw/zinc/28/20/34/188282034.db2.gz MLWHSKMLHIFLIB-CQSZACIVSA-N 1 0 264.369 2.042 10 0 CEAERO C[C@@H]1CCC[C@H](N(C)C(=O)[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000251977079 539995253 /nfs/dbraw/zinc/99/52/53/539995253.db2.gz YLQOSCAZGMQTMX-MQYQWHSLSA-N 1 0 252.402 2.399 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1C[C@H]1CCOc2ccccc21 ZINC000252832609 540008689 /nfs/dbraw/zinc/00/86/89/540008689.db2.gz NZBPWJROIOQENS-KGLIPLIRSA-N 1 0 260.381 2.366 10 0 CEAERO FC(F)(F)c1ccnc(N2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000261595214 282929422 /nfs/dbraw/zinc/92/94/22/282929422.db2.gz NZPSJKXGOWQPCV-GFCCVEGCSA-N 1 0 271.286 2.290 10 0 CEAERO CC(C)(C)[C@H]1CCCN(C(=O)C2([NH3+])CCOCC2)CC1 ZINC000132267681 366130292 /nfs/dbraw/zinc/13/02/92/366130292.db2.gz YIPHUNBWZONOCY-ZDUSSCGKSA-N 1 0 282.428 2.169 10 0 CEAERO Cc1cnc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)nc1 ZINC000337311568 366140159 /nfs/dbraw/zinc/14/01/59/366140159.db2.gz VELQDEWGMICZRQ-RRFJBIMHSA-N 1 0 275.396 2.301 10 0 CEAERO CC(=O)c1ccc(NC(=O)[C@]2(C)CCCC[NH2+]2)cc1 ZINC000133364624 366217186 /nfs/dbraw/zinc/21/71/86/366217186.db2.gz UYHZDOBQMKZNLX-HNNXBMFYSA-N 1 0 260.337 2.360 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000170863690 188699318 /nfs/dbraw/zinc/69/93/18/188699318.db2.gz HWWGILIOTGOAIQ-GFCCVEGCSA-N 1 0 286.297 2.482 10 0 CEAERO [NH3+]C1CCC(C(=O)NCc2cccc3cccnc32)CC1 ZINC000159339322 540081387 /nfs/dbraw/zinc/08/13/87/540081387.db2.gz PXLLAKIGGUHPTE-UHFFFAOYSA-N 1 0 283.375 2.369 10 0 CEAERO [NH3+]CC[C@@H]1CCC[C@H](C(F)(F)F)N1C(=O)CC1CC1 ZINC000675074093 540115912 /nfs/dbraw/zinc/11/59/12/540115912.db2.gz XQJWQUIXXXKGRT-WDEREUQCSA-N 1 0 278.318 2.447 10 0 CEAERO CN1C[C@H]([NH2+]Cc2cccc(F)c2F)C(C)(C)C1 ZINC000675075841 540116777 /nfs/dbraw/zinc/11/67/77/540116777.db2.gz SIUPZRKGBZWROJ-LBPRGKRZSA-N 1 0 254.324 2.395 10 0 CEAERO CC(C)c1nsc(N2C[C@@H]3CCC[C@]3(C[NH3+])C2)n1 ZINC000380949432 540137104 /nfs/dbraw/zinc/13/71/04/540137104.db2.gz PFNRJZKKYYMHFK-GWCFXTLKSA-N 1 0 266.414 2.227 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC000381755870 540143316 /nfs/dbraw/zinc/14/33/16/540143316.db2.gz VNLXORJQOGKVKJ-SECBINFHSA-N 1 0 259.353 2.122 10 0 CEAERO CC(C)[NH2+]CC(=O)N[C@@H](C)c1cc(F)ccc1F ZINC000037609974 540153856 /nfs/dbraw/zinc/15/38/56/540153856.db2.gz KAZGFXZLNUUXCL-VIFPVBQESA-N 1 0 256.296 2.140 10 0 CEAERO O=C(CC[NH2+]C1CC1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000037613368 540155295 /nfs/dbraw/zinc/15/52/95/540155295.db2.gz PDRKJPBOAVYYCX-KOLCDFICSA-N 1 0 278.318 2.366 10 0 CEAERO CCOc1ccc(OC)cc1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261860934 540154314 /nfs/dbraw/zinc/15/43/14/540154314.db2.gz WXZMFAQQKGVNOH-DGCLKSJQSA-N 1 0 292.379 2.407 10 0 CEAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC000293763586 198763231 /nfs/dbraw/zinc/76/32/31/198763231.db2.gz ZFIZJPPRMPBWQF-NEPJUHHUSA-N 1 0 260.337 2.296 10 0 CEAERO COc1c(C[NH2+]CCc2ccccc2C)c(C)nn1C ZINC000134103038 366286466 /nfs/dbraw/zinc/28/64/66/366286466.db2.gz HGROBQFDSBAEJY-UHFFFAOYSA-N 1 0 273.380 2.378 10 0 CEAERO N[C@@]1(c2cncs2)CC[N@H+](Cc2ccccc2)C1 ZINC000575456992 366290554 /nfs/dbraw/zinc/29/05/54/366290554.db2.gz YNPGYNXDVCXZRB-AWEZNQCLSA-N 1 0 259.378 2.203 10 0 CEAERO CCN(CC)c1ncc(C[NH2+][C@H]2CCO[C@H]2C)s1 ZINC000134246127 366303292 /nfs/dbraw/zinc/30/32/92/366303292.db2.gz HGIHNUWONCEVLY-JQWIXIFHSA-N 1 0 269.414 2.256 10 0 CEAERO CC[C@@H](O)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000076074669 363517413 /nfs/dbraw/zinc/51/74/13/363517413.db2.gz MDDSAKCVUUCIQG-OAGGEKHMSA-N 1 0 263.381 2.345 10 0 CEAERO CCc1cc(OC)c(C[NH3+])cc1I ZINC000575724660 366348195 /nfs/dbraw/zinc/34/81/95/366348195.db2.gz ARHNHSBAEUHDQG-UHFFFAOYSA-N 1 0 291.132 2.321 10 0 CEAERO C[C@]1(C(=O)N[C@H]2CCCc3ccccc32)CCC[NH2+]1 ZINC000079512183 538890973 /nfs/dbraw/zinc/89/09/73/538890973.db2.gz LCRWCFMCDOGLPC-GOEBONIOSA-N 1 0 258.365 2.322 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCC2(CC2(F)F)CC1 ZINC000405090893 540278936 /nfs/dbraw/zinc/27/89/36/540278936.db2.gz SWFZBZVJHVQQMM-GHMZBOCLSA-N 1 0 272.339 2.022 10 0 CEAERO CC(C)(C)c1nn2c(c1Br)NCC[C@@H]2C[NH3+] ZINC000232516875 542254946 /nfs/dbraw/zinc/25/49/46/542254946.db2.gz MQCVAPVJQFSIOV-SSDOTTSWSA-N 1 0 287.205 2.259 10 0 CEAERO OCC[C@H]1CCC[C@H]1[NH2+]Cc1nc2cccnc2s1 ZINC000329211031 202234222 /nfs/dbraw/zinc/23/42/22/202234222.db2.gz YZXVIFVALJEABD-GHMZBOCLSA-N 1 0 277.393 2.332 10 0 CEAERO C[C@@H](C[NH2+]C1C2CC3CC(C2)CC1C3)CS(C)(=O)=O ZINC000339390608 295969579 /nfs/dbraw/zinc/96/95/79/295969579.db2.gz DBGHOOMHGWNSCL-GFSREQAASA-N 1 0 285.453 2.081 10 0 CEAERO Cc1cc(CN(C)C(=O)N[C@H](CC(C)C)C[NH+](C)C)no1 ZINC000079495606 363608797 /nfs/dbraw/zinc/60/87/97/363608797.db2.gz WVBUUTZBGWFCCZ-CYBMUJFWSA-N 1 0 296.415 2.101 10 0 CEAERO CCC(=O)Nc1ccc(NC(=O)[C@@]2(C)CCC[NH2+]2)cc1 ZINC000079514988 363611814 /nfs/dbraw/zinc/61/18/14/363611814.db2.gz MSYKQRNEECDQEY-OAHLLOKOSA-N 1 0 275.352 2.116 10 0 CEAERO COc1cc(C[NH2+][C@H]2CCCCC[C@@H]2O)cc(OC)c1 ZINC000135619903 366461143 /nfs/dbraw/zinc/46/11/43/366461143.db2.gz SDCKOUCACIMPDU-HOTGVXAUSA-N 1 0 279.380 2.487 10 0 CEAERO CCC[C@H](C(=O)NCc1ccc(Cl)nc1)[NH+](C)C ZINC000136832877 366526911 /nfs/dbraw/zinc/52/69/11/366526911.db2.gz GEHKRHIDTRASJO-LLVKDONJSA-N 1 0 269.776 2.082 10 0 CEAERO C[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)C(=O)Nc1ccccc1 ZINC000667859526 540524710 /nfs/dbraw/zinc/52/47/10/540524710.db2.gz RJHWBSTYWFMUSN-GLQYFDAESA-N 1 0 274.364 2.171 10 0 CEAERO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1O ZINC000111366096 283473413 /nfs/dbraw/zinc/47/34/13/283473413.db2.gz UVMWBHFYBCSROA-LBPRGKRZSA-N 1 0 270.332 2.109 10 0 CEAERO CC(C)[N@@H+]1CC[C@@H](N)C12CCN(C(=O)OC(C)(C)C)CC2 ZINC000685955154 540650397 /nfs/dbraw/zinc/65/03/97/540650397.db2.gz UUKZJVFSPQPXMZ-CYBMUJFWSA-N 1 0 297.443 2.198 10 0 CEAERO [NH3+]CC1(CC2CC2)CCC(S(=O)(=O)CC2CC2)CC1 ZINC000141311061 366566005 /nfs/dbraw/zinc/56/60/05/366566005.db2.gz SQDXCEDVEIMKED-UHFFFAOYSA-N 1 0 285.453 2.499 10 0 CEAERO [NH3+]C[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000044532048 283506143 /nfs/dbraw/zinc/50/61/43/283506143.db2.gz WVESBYSWHBJSAQ-SECBINFHSA-N 1 0 259.275 2.276 10 0 CEAERO C[C@H](NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1F ZINC000151242997 366633009 /nfs/dbraw/zinc/63/30/09/366633009.db2.gz WFIAFMLUDSQVPS-KBPBESRZSA-N 1 0 280.387 2.323 10 0 CEAERO O[C@@H](CN[C@H]1CCc2cc(F)ccc21)C[NH+]1CCCCC1 ZINC000151245990 366633701 /nfs/dbraw/zinc/63/37/01/366633701.db2.gz NYPHKYQIOAPBBQ-RDJZCZTQSA-N 1 0 292.398 2.249 10 0 CEAERO CCc1ccc([C@@H](C)NC[C@H](O)C[NH+]2CCCCC2)o1 ZINC000151349862 366641067 /nfs/dbraw/zinc/64/10/67/366641067.db2.gz DLFIOUXKJAOLPH-KGLIPLIRSA-N 1 0 280.412 2.339 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]CCc2cnccn2)c1C ZINC000341900001 216144407 /nfs/dbraw/zinc/14/44/07/216144407.db2.gz WPQDEQQNOPQBAO-NSHDSACASA-N 1 0 273.384 2.203 10 0 CEAERO COc1cccc([C@@H](C)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000177245013 189038866 /nfs/dbraw/zinc/03/88/66/189038866.db2.gz FXYVVWMQLCWNHO-ZBFHGGJFSA-N 1 0 292.423 2.193 10 0 CEAERO COCCCCC[N@H+](C)[C@H](C)C(=O)OC(C)(C)C ZINC000081567975 363729654 /nfs/dbraw/zinc/72/96/54/363729654.db2.gz JEVYDYRXRYMUHJ-GFCCVEGCSA-N 1 0 259.390 2.465 10 0 CEAERO C[C@@H]([NH3+])CC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000037607096 296016780 /nfs/dbraw/zinc/01/67/80/296016780.db2.gz JBFTZNLJBIDJFY-JDDJGOSBSA-N 1 0 264.413 2.445 10 0 CEAERO Cc1nc(C[C@H]2CCC[N@H+](Cc3ccncc3)C2)no1 ZINC000178603571 189130527 /nfs/dbraw/zinc/13/05/27/189130527.db2.gz BSDUEDHJQSJGJQ-CQSZACIVSA-N 1 0 272.352 2.228 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1nc2c(s1)CCCC2 ZINC000085372728 283585325 /nfs/dbraw/zinc/58/53/25/283585325.db2.gz HLBZLVAGAQHLMS-RKDXNWHRSA-N 1 0 265.382 2.088 10 0 CEAERO Clc1nc2ccccn2c1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179545857 189200767 /nfs/dbraw/zinc/20/07/67/189200767.db2.gz HVKSCRTVKUCKRC-GFCCVEGCSA-N 1 0 290.798 2.268 10 0 CEAERO Cc1scc(C(=O)N2CC[C@@H]([NH+](C)C)C2)c1C ZINC000179903772 189227004 /nfs/dbraw/zinc/22/70/04/189227004.db2.gz FOYNTCAUCVJMNE-LLVKDONJSA-N 1 0 252.383 2.141 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)c1ccc(F)cc1Cl ZINC000038048940 283623380 /nfs/dbraw/zinc/62/33/80/283623380.db2.gz XJTIRLFKZZRVIT-NWDGAFQWSA-N 1 0 270.735 2.479 10 0 CEAERO CO[C@H](C[NH2+]C[C@H]1CCCC[C@H]1O)C1CCCC1 ZINC000638662753 370671629 /nfs/dbraw/zinc/67/16/29/370671629.db2.gz FLYYXVCELHEWHQ-RBSFLKMASA-N 1 0 255.402 2.332 10 0 CEAERO Cc1cnc(C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)s1 ZINC000180498772 189258999 /nfs/dbraw/zinc/25/89/99/189258999.db2.gz JRVNWYAJUGSHDY-LLVKDONJSA-N 1 0 262.382 2.175 10 0 CEAERO Cc1ccccc1C[C@H]1CCc2[nH+]c(N)nc(N)c2C1 ZINC000003814892 361290526 /nfs/dbraw/zinc/29/05/26/361290526.db2.gz OLHNYACOMYRYQS-LLVKDONJSA-N 1 0 268.364 2.297 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(Cl)c(F)c2)C1 ZINC000152198915 366693224 /nfs/dbraw/zinc/69/32/24/366693224.db2.gz FLOYVYJGRAREQC-SNVBAGLBSA-N 1 0 270.735 2.255 10 0 CEAERO CCC(CC)C[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000153910961 366744199 /nfs/dbraw/zinc/74/41/99/366744199.db2.gz NBHGVSMVIBIFNU-AWEZNQCLSA-N 1 0 251.374 2.020 10 0 CEAERO CCC[C@H](C(=O)N(C)Cc1ccc(OC)cc1)[NH+](C)C ZINC000153165399 366732918 /nfs/dbraw/zinc/73/29/18/366732918.db2.gz AZLIIGRMSKUEEV-OAHLLOKOSA-N 1 0 278.396 2.384 10 0 CEAERO OC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000153728754 366737895 /nfs/dbraw/zinc/73/78/95/366737895.db2.gz ATBGBLLVQFXOTO-AAEUAGOBSA-N 1 0 294.361 2.154 10 0 CEAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)CS(C)(=O)=O)cc1C ZINC000081902523 363747081 /nfs/dbraw/zinc/74/70/81/363747081.db2.gz UPAQBRVESXLUQA-STQMWFEESA-N 1 0 269.410 2.387 10 0 CEAERO C[C@H]1CCC[N@H+](Cc2cc(N)cc3c2OCOC3)C1 ZINC000011568550 361359999 /nfs/dbraw/zinc/35/99/99/361359999.db2.gz BCMAMDBKOBPWDK-NSHDSACASA-N 1 0 262.353 2.367 10 0 CEAERO CCOc1ccc(S(=O)(=O)[C@H](C[NH3+])c2ccco2)cc1 ZINC000011847654 361365932 /nfs/dbraw/zinc/36/59/32/361365932.db2.gz ZIHQAICKHHULME-CQSZACIVSA-N 1 0 295.360 2.152 10 0 CEAERO C[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1C[C@H](O)c1ccccc1 ZINC000083704346 363785143 /nfs/dbraw/zinc/78/51/43/363785143.db2.gz NJNKXOZYLOKOLR-OIISXLGYSA-N 1 0 274.408 2.279 10 0 CEAERO C[C@@H](O)C[N@@H+]1CCN(CCCc2cccc(F)c2)C[C@@H]1C ZINC000182750873 189334002 /nfs/dbraw/zinc/33/40/02/189334002.db2.gz RGILBWDXZCDZKE-LSDHHAIUSA-N 1 0 294.414 2.145 10 0 CEAERO Cc1ccc(C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)c(O)c1 ZINC000083704031 363783508 /nfs/dbraw/zinc/78/35/08/363783508.db2.gz KDVUJBSDAZEBGK-KBPBESRZSA-N 1 0 288.391 2.399 10 0 CEAERO C[C@@H]([N@H+](C)Cc1cn(Cc2cccnc2)nn1)C1(C)CC1 ZINC000183122880 189347500 /nfs/dbraw/zinc/34/75/00/189347500.db2.gz MPQZGFXYHLLIEX-CYBMUJFWSA-N 1 0 285.395 2.342 10 0 CEAERO OC[C@@H]1CCC[N@@H+]1C[C@@H]1CCCN1c1ccncc1Cl ZINC000301696510 201145197 /nfs/dbraw/zinc/14/51/97/201145197.db2.gz BHJRCOABSICYDO-STQMWFEESA-N 1 0 295.814 2.161 10 0 CEAERO [NH3+]C[C@@H](C1CCCCC1)N1C(=O)c2ccccc2C1=O ZINC000155863905 366824009 /nfs/dbraw/zinc/82/40/09/366824009.db2.gz DDDAKLTVPSRTDX-AWEZNQCLSA-N 1 0 272.348 2.190 10 0 CEAERO Nc1cccc2c1CCCN2C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000237889125 283677844 /nfs/dbraw/zinc/67/78/44/283677844.db2.gz RNQKVNXNTQPALP-NWDGAFQWSA-N 1 0 273.380 2.066 10 0 CEAERO Cc1ccnc(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000184097771 189375882 /nfs/dbraw/zinc/37/58/82/189375882.db2.gz ZWMBRKPWGUBNKS-QWHCGFSZSA-N 1 0 276.384 2.240 10 0 CEAERO [NH3+][C@@H]1CCCc2cccc(Br)c2[C@@H]1O ZINC000019795496 361554791 /nfs/dbraw/zinc/55/47/91/361554791.db2.gz OXJVAHMZTUKYNS-MWLCHTKSSA-N 1 0 256.143 2.146 10 0 CEAERO CCc1ccc(CN(Cc2ccco2)C[C@H](O)C[NH3+])cc1 ZINC000026509473 361643390 /nfs/dbraw/zinc/64/33/90/361643390.db2.gz TYEKHRLTZKLKBN-MRXNPFEDSA-N 1 0 288.391 2.164 10 0 CEAERO CCC(=O)c1cc(OC)c(C[C@H](C)[NH3+])cc1OC ZINC000025983851 361634752 /nfs/dbraw/zinc/63/47/52/361634752.db2.gz ACCIWGPKICCJMA-VIFPVBQESA-N 1 0 251.326 2.186 10 0 CEAERO c1ccc2c(c1)OC[C@](C1=[NH+]CCN1)(C1CCCC1)O2 ZINC000026004470 361634910 /nfs/dbraw/zinc/63/49/10/361634910.db2.gz KOJFJNVDBMKHLS-MRXNPFEDSA-N 1 0 272.348 2.389 10 0 CEAERO CCOc1cc(CC[NH3+])cc(OCC)c1OCC ZINC000027759889 361658992 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ZINC000093151451 364146672 /nfs/dbraw/zinc/14/66/72/364146672.db2.gz PVRCIASEWLCIOW-UHFFFAOYSA-N 1 0 286.379 2.399 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc(OCC2CC2)cc1 ZINC000237852232 370754672 /nfs/dbraw/zinc/75/46/72/370754672.db2.gz ZLXTWULUYCXDQA-HNNXBMFYSA-N 1 0 288.391 2.429 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)NC[C@@H]1CCCC12CC2 ZINC000638795849 370757357 /nfs/dbraw/zinc/75/73/57/370757357.db2.gz QVTVZJTVQZYKMH-STQMWFEESA-N 1 0 250.386 2.073 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCc1cccnc1 ZINC000094448616 364274911 /nfs/dbraw/zinc/27/49/11/364274911.db2.gz DNWULFBWZFYDGT-HZPDHXFCSA-N 1 0 259.397 2.183 10 0 CEAERO Clc1ccc(COCCC2CC[NH2+]CC2)nn1 ZINC000095069866 364329556 /nfs/dbraw/zinc/32/95/56/364329556.db2.gz DUODZQBXHLXVIS-UHFFFAOYSA-N 1 0 255.749 2.036 10 0 CEAERO O=[S@@](Cc1cnc(Cl)s1)C[C@H]1CCC[NH2+]C1 ZINC000095070275 364330022 /nfs/dbraw/zinc/33/00/22/364330022.db2.gz FIIJYGYQXOHSHC-PWJLMRLQSA-N 1 0 278.830 2.045 10 0 CEAERO CN(Cc1ccc(Br)nc1)[C@H]1CCC[NH2+]C1 ZINC000095070720 364331455 /nfs/dbraw/zinc/33/14/55/364331455.db2.gz NKLRNCFOUIFDSB-NSHDSACASA-N 1 0 284.201 2.028 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1NCc1cnc(Cl)nc1Cl ZINC000095072293 364332383 /nfs/dbraw/zinc/33/23/83/364332383.db2.gz MAIYHRUBZZNRPA-RKDXNWHRSA-N 1 0 275.183 2.143 10 0 CEAERO CSc1nc(Cl)cc(N(C)C[C@H]2CCCC[NH2+]2)n1 ZINC000095071740 364332387 /nfs/dbraw/zinc/33/23/87/364332387.db2.gz YKUBPKNAVJHFBW-SECBINFHSA-N 1 0 286.832 2.430 10 0 CEAERO Nc1ccccc1-c1nc(CC[NH+]2CCCCC2)no1 ZINC000095115795 364340555 /nfs/dbraw/zinc/34/05/55/364340555.db2.gz CVZXBPUIMODKPB-UHFFFAOYSA-N 1 0 272.352 2.347 10 0 CEAERO COc1ccc(-c2noc([C@H]3CC[C@H]([NH3+])C3)n2)cc1OC ZINC000097067907 364439037 /nfs/dbraw/zinc/43/90/37/364439037.db2.gz DPMKXVHYRWPCMY-QWRGUYRKSA-N 1 0 289.335 2.349 10 0 CEAERO CCNC(=O)c1cn(-c2ccccc2)nc1[C@H]1CCC[NH2+]C1 ZINC000098209702 364536998 /nfs/dbraw/zinc/53/69/98/364536998.db2.gz BYKFRZRXLHWLPJ-ZDUSSCGKSA-N 1 0 298.390 2.089 10 0 CEAERO C[NH+](C)C[C@@H](NC(=O)Cc1ccccc1O)c1ccccc1 ZINC000101629549 364568928 /nfs/dbraw/zinc/56/89/28/364568928.db2.gz CJTNYIMFQWKQMU-MRXNPFEDSA-N 1 0 298.386 2.354 10 0 CEAERO CCC[C@H](C(=O)N[C@@H]1CCOC2(CCCC2)C1)[NH+](C)C ZINC000159231553 283790091 /nfs/dbraw/zinc/79/00/91/283790091.db2.gz LQCOFFZTYKKDFJ-ZIAGYGMSSA-N 1 0 282.428 2.325 10 0 CEAERO COCC1CCN(C(=O)N[C@H](CC(C)C)C[NH+](C)C)CC1 ZINC000112441402 364808558 /nfs/dbraw/zinc/80/85/58/364808558.db2.gz FHTMOQKEJXKGHB-OAHLLOKOSA-N 1 0 299.459 2.031 10 0 CEAERO Cc1nc(CN2CCC[N@H+](CCC(C)(C)C)CC2)no1 ZINC000112697859 364829962 /nfs/dbraw/zinc/82/99/62/364829962.db2.gz NTBMJTYXEPUIQG-UHFFFAOYSA-N 1 0 280.416 2.322 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)/C=C/c1ccccc1 ZINC000113225299 364876364 /nfs/dbraw/zinc/87/63/64/364876364.db2.gz IKAZIADXWMWNSP-UFXRLHEYSA-N 1 0 270.376 2.395 10 0 CEAERO COc1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000113228019 364877248 /nfs/dbraw/zinc/87/72/48/364877248.db2.gz ASZUIZMDQZIHNY-TZMCWYRMSA-N 1 0 274.364 2.004 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc2c1CCC2 ZINC000113229482 364878452 /nfs/dbraw/zinc/87/84/52/364878452.db2.gz QTAIQYXSEFZTBM-UKRRQHHQSA-N 1 0 284.403 2.484 10 0 CEAERO C[C@H](NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)c1cccnc1 ZINC000113582287 364905594 /nfs/dbraw/zinc/90/55/94/364905594.db2.gz XNBLWXVPANOGEX-VNHYZAJKSA-N 1 0 288.395 2.021 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc(F)c1 ZINC000113587987 364906427 /nfs/dbraw/zinc/90/64/27/364906427.db2.gz MZENZWDKMUONIV-IUODEOHRSA-N 1 0 291.370 2.204 10 0 CEAERO CC(C)CCSCC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000193487030 189643948 /nfs/dbraw/zinc/64/39/48/189643948.db2.gz HVFIIALNGCACSB-RYUDHWBXSA-N 1 0 258.431 2.022 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCC(c2nccs2)CC1 ZINC000335600579 212312869 /nfs/dbraw/zinc/31/28/69/212312869.db2.gz LXYFOKZWHDZXHK-AAEUAGOBSA-N 1 0 293.436 2.237 10 0 CEAERO C[C@H](CC(=O)N1CC[C@@H]([NH+](C)C)C1)c1cccc(F)c1 ZINC000116190129 365041949 /nfs/dbraw/zinc/04/19/49/365041949.db2.gz MYCQPPMOXDNFGZ-IUODEOHRSA-N 1 0 278.371 2.482 10 0 CEAERO Cn1cc([C@@H]2CC[N@H+](C[C@H](O)c3ccc(F)cc3)C2)cn1 ZINC000116319716 365051537 /nfs/dbraw/zinc/05/15/37/365051537.db2.gz NVGYVPOMCNUDMU-CJNGLKHVSA-N 1 0 289.354 2.082 10 0 CEAERO CCCC[C@H](CC)CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000117023274 365089023 /nfs/dbraw/zinc/08/90/23/365089023.db2.gz KYLKYCCORVSHRM-GJZGRUSLSA-N 1 0 299.459 2.175 10 0 CEAERO COCCN1CCN(C(=O)c2ccc(Cl)cc2)C[C@@H]1C ZINC000117294460 365101839 /nfs/dbraw/zinc/10/18/39/365101839.db2.gz SOVZNUKRHPJAFJ-LBPRGKRZSA-N 1 0 296.798 2.133 10 0 CEAERO C[C@H](C[N@@H+]1CCO[C@H](Cn2cccn2)C1)c1ccccc1 ZINC000116878911 365077529 /nfs/dbraw/zinc/07/75/29/365077529.db2.gz BSLQUQHFHNFPTO-WBVHZDCISA-N 1 0 285.391 2.388 10 0 CEAERO Cc1ncsc1C[NH2+]C[C@H]1CCc2nccn2C1 ZINC000275536269 193069849 /nfs/dbraw/zinc/06/98/49/193069849.db2.gz MINKCUGFTTUBBK-LLVKDONJSA-N 1 0 262.382 2.000 10 0 CEAERO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CN(C)CCO1 ZINC000120569661 365443588 /nfs/dbraw/zinc/44/35/88/365443588.db2.gz CDMZVRAANZZHKO-WFASDCNBSA-N 1 0 282.815 2.191 10 0 CEAERO CCOCC[N@@H+]1CCN(Cc2cccc(O)c2)C[C@H]1CC ZINC000121009145 365510930 /nfs/dbraw/zinc/51/09/30/365510930.db2.gz SKOOVGCXZVJGNR-MRXNPFEDSA-N 1 0 292.423 2.325 10 0 CEAERO CCOCCN1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000120957159 365502277 /nfs/dbraw/zinc/50/22/77/365502277.db2.gz RJENFTZENPPJLU-BXUZGUMPSA-N 1 0 271.307 2.109 10 0 CEAERO C[C@@H]([NH3+])[C@@H]1CCCN(c2nnc(C(F)(F)F)s2)C1 ZINC000160373654 366999475 /nfs/dbraw/zinc/99/94/75/366999475.db2.gz FAFZBCFFKLNIDG-RNFRBKRXSA-N 1 0 280.319 2.121 10 0 CEAERO COc1ccc2c(c1)CCC[C@H]2[NH2+]CC1(O)CCOCC1 ZINC000162581991 367170880 /nfs/dbraw/zinc/17/08/80/367170880.db2.gz MMNJEMKXJXXNCB-MRXNPFEDSA-N 1 0 291.391 2.204 10 0 CEAERO NC(=O)c1ccc([C@H]2CCC[C@H]([NH3+])C2)c2cc[nH]c21 ZINC000584619596 367173955 /nfs/dbraw/zinc/17/39/55/367173955.db2.gz UWIVHIOLGCHJPP-UWVGGRQHSA-N 1 0 257.337 2.252 10 0 CEAERO C[C@H]1CN(C(=O)CCC2CCCCC2)C[C@H]1C[NH3+] ZINC000638884682 370819422 /nfs/dbraw/zinc/81/94/22/370819422.db2.gz IJINVEXTMYXILV-GXTWGEPZSA-N 1 0 252.402 2.400 10 0 CEAERO CC(C)c1ccc(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000638884986 370819543 /nfs/dbraw/zinc/81/95/43/370819543.db2.gz LHWKIOYHAAPEHE-DOMZBBRYSA-N 1 0 260.381 2.477 10 0 CEAERO COc1cc(Cl)ccc1C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638885619 370819673 /nfs/dbraw/zinc/81/96/73/370819673.db2.gz CZHOUWMCYKXDGI-ZJUUUORDSA-N 1 0 282.771 2.015 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H](C)Oc1ccccc1 ZINC000245438102 370820019 /nfs/dbraw/zinc/82/00/19/370820019.db2.gz XLQVCDRLLFCGQL-GJZGRUSLSA-N 1 0 290.407 2.397 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1noc(C(C)(C)C)n1 ZINC000245437685 370820097 /nfs/dbraw/zinc/82/00/97/370820097.db2.gz RQSKLGUEIRKJMN-STQMWFEESA-N 1 0 292.427 2.426 10 0 CEAERO CCCOc1cccc(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000638886617 370820327 /nfs/dbraw/zinc/82/03/27/370820327.db2.gz AYVWDAMVPXQARY-JSGCOSHPSA-N 1 0 276.380 2.142 10 0 CEAERO C[C@@H]1CN(C(=O)c2ccccc2Cl)C[C@H]1C[NH3+] ZINC000638886327 370820754 /nfs/dbraw/zinc/82/07/54/370820754.db2.gz QGQMZIPQRZHHDX-NXEZZACHSA-N 1 0 252.745 2.007 10 0 CEAERO C[C@@H]1CN(C(=O)CCCc2ccccc2)C[C@H]1C[NH3+] ZINC000638887623 370821879 /nfs/dbraw/zinc/82/18/79/370821879.db2.gz LOVYZQVUXHSSJK-UKRRQHHQSA-N 1 0 260.381 2.063 10 0 CEAERO C[C@@H]1CN(C(=O)c2sccc2Cl)C[C@H]1C[NH3+] ZINC000638895278 370826238 /nfs/dbraw/zinc/82/62/38/370826238.db2.gz UBLLUAAEKCQUNH-HTQZYQBOSA-N 1 0 258.774 2.068 10 0 CEAERO C[C@@H]1CN(C(=O)[C@@H]2CCCc3sccc32)C[C@@H]1C[NH3+] ZINC000638901671 370830333 /nfs/dbraw/zinc/83/03/33/370830333.db2.gz VUPMAJZEHDJYKT-NTZNESFSSA-N 1 0 278.421 2.221 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC(C1CC1)C1CC1 ZINC000245676160 370855788 /nfs/dbraw/zinc/85/57/88/370855788.db2.gz FWUFKWNWUWCMDP-GJZGRUSLSA-N 1 0 291.439 2.443 10 0 CEAERO Cc1cc(NC2CC[NH2+]CC2)ncc1Br ZINC000163952162 367272520 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COc1cc(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)ccc1F ZINC000234917101 189825192 /nfs/dbraw/zinc/82/51/92/189825192.db2.gz IETPXXFKOZNULM-CQSZACIVSA-N 1 0 294.370 2.342 10 0 CEAERO CC[C@H]1CN(C(=O)[C@H](C)CC(C)C)CC[N@@H+]1CCOC ZINC000248730682 371239821 /nfs/dbraw/zinc/23/98/21/371239821.db2.gz DENJOQWLCPHSKL-CABCVRRESA-N 1 0 284.444 2.238 10 0 CEAERO C[C@H]1CN(C(=O)Nc2ccc(Cl)cc2)C[C@@H]1[NH3+] ZINC000235649069 189829926 /nfs/dbraw/zinc/82/99/26/189829926.db2.gz WAUKXDXVSNHJRJ-KWQFWETISA-N 1 0 253.733 2.151 10 0 CEAERO C[C@H]1CN(Cc2coc(-c3ccc(F)cc3)n2)C[C@@H]1[NH3+] ZINC000235728123 189830579 /nfs/dbraw/zinc/83/05/79/189830579.db2.gz YVUHGAKJDSJOML-HZMBPMFUSA-N 1 0 275.327 2.260 10 0 CEAERO CC[C@H]1CN(CCc2ccccc2F)CC[N@@H+]1C[C@H](C)O ZINC000248985729 371279732 /nfs/dbraw/zinc/27/97/32/371279732.db2.gz JVYYDVIZWSWMAF-HOCLYGCPSA-N 1 0 294.414 2.145 10 0 CEAERO C=Cn1cc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2CC)cn1 ZINC000248990894 371280901 /nfs/dbraw/zinc/28/09/01/371280901.db2.gz NKZZMEILZKOCFR-GJZGRUSLSA-N 1 0 260.385 2.042 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(CC)C2)C12CCOCC2 ZINC000249007021 371281719 /nfs/dbraw/zinc/28/17/19/371281719.db2.gz OBUATMNGUNFVML-OWCLPIDISA-N 1 0 296.455 2.035 10 0 CEAERO CCOC(C)(C)CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1CC ZINC000249058305 371289057 /nfs/dbraw/zinc/28/90/57/371289057.db2.gz FQVPMYTXBIJLOE-KGLIPLIRSA-N 1 0 297.443 2.070 10 0 CEAERO CC[C@](C)(O)C[N@@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000249079013 371292025 /nfs/dbraw/zinc/29/20/25/371292025.db2.gz CFGKQTUHKNAKTM-ZFWWWQNUSA-N 1 0 265.401 2.335 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCO[C@H]2C)C1 ZINC000249336751 371313268 /nfs/dbraw/zinc/31/32/68/371313268.db2.gz CUVRKKNLBVGGEF-XHSDSOJGSA-N 1 0 296.455 2.286 10 0 CEAERO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CCCO[C@H]1C ZINC000249421260 371320521 /nfs/dbraw/zinc/32/05/21/371320521.db2.gz DPACDSLPTIPZND-SOUVJXGZSA-N 1 0 284.444 2.428 10 0 CEAERO Cc1nnc([C@H](C)[N@@H+]2C[C@H](CO)[C@@H](c3ccsc3)C2)o1 ZINC000249545096 371334741 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CCc1cc2c(ncnc2N2CC[C@@H]([C@H](C)[NH3+])C2)s1 ZINC000252756542 371475922 /nfs/dbraw/zinc/47/59/22/371475922.db2.gz BUDPEZZVACIEDN-VHSXEESVSA-N 1 0 276.409 2.427 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H](C)CSC ZINC000253550042 371528594 /nfs/dbraw/zinc/52/85/94/371528594.db2.gz YJSUWMIUOWILKA-JHJVBQTASA-N 1 0 270.442 2.071 10 0 CEAERO C[NH2+][C@@H](C)Cc1noc([C@@H]2CCCN2c2nccs2)n1 ZINC000261613565 371679256 /nfs/dbraw/zinc/67/92/56/371679256.db2.gz BALXHIAWJTYDEA-UWVGGRQHSA-N 1 0 293.396 2.018 10 0 CEAERO Cc1nnc(NC[C@H]2[NH2+]CCc3ccccc32)s1 ZINC000261563051 371649757 /nfs/dbraw/zinc/64/97/57/371649757.db2.gz GUCOOJAIZYFRPI-GFCCVEGCSA-N 1 0 260.366 2.145 10 0 CEAERO COC[C@@]1(CNc2ncc(Cl)cc2F)CCC[NH2+]1 ZINC000261584656 371662997 /nfs/dbraw/zinc/66/29/97/371662997.db2.gz SMIMVCVPVOQEBK-LBPRGKRZSA-N 1 0 273.739 2.055 10 0 CEAERO CC[C@H](NC(=O)C1([NH3+])CCOCC1)c1ccc(F)cc1F ZINC000261758323 371721831 /nfs/dbraw/zinc/72/18/31/371721831.db2.gz FQVMHKBIZRFSLU-ZDUSSCGKSA-N 1 0 298.333 2.040 10 0 CEAERO CC(C)CC(=O)N[C@H](c1nc(C2([NH3+])CCC2)no1)C(C)C ZINC000261638474 371687384 /nfs/dbraw/zinc/68/73/84/371687384.db2.gz AAWIAQYYCCPFQJ-LBPRGKRZSA-N 1 0 294.399 2.267 10 0 CEAERO CCc1ccc(NC(=O)CN2CC[C@@H](O)C[C@H]2C)cc1 ZINC000639939696 371689462 /nfs/dbraw/zinc/68/94/62/371689462.db2.gz PMKZZYRUPQLFKE-IUODEOHRSA-N 1 0 276.380 2.033 10 0 CEAERO CCC[C@@]1(C(=O)OCC)CCCN1C[C@@H]1CCC[NH2+]C1 ZINC000261842674 371748235 /nfs/dbraw/zinc/74/82/35/371748235.db2.gz SCZNAPFHKALRDE-ZBFHGGJFSA-N 1 0 282.428 2.184 10 0 CEAERO Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)ccc1F ZINC000261992590 371792548 /nfs/dbraw/zinc/79/25/48/371792548.db2.gz SXXGTOFARKUFDO-UAGQMJEPSA-N 1 0 292.398 2.381 10 0 CEAERO Cc1ccccc1-n1nccc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261927629 371772606 /nfs/dbraw/zinc/77/26/06/371772606.db2.gz LDPWMPKMQJUANO-BHYGNILZSA-N 1 0 296.418 2.350 10 0 CEAERO CCCc1ccc([C@H](NC(=O)[C@@H]([NH3+])COC)C(C)C)cc1 ZINC000262163613 371832539 /nfs/dbraw/zinc/83/25/39/371832539.db2.gz ADJOSPXTWVWAJN-JKSUJKDBSA-N 1 0 292.423 2.426 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1Cc1scnc1C1CC1 ZINC000261995480 371795476 /nfs/dbraw/zinc/79/54/76/371795476.db2.gz STVSIKKCVFEKDG-NSHDSACASA-N 1 0 251.399 2.334 10 0 CEAERO CN(Cc1cc(C(F)(F)F)n[nH]1)[C@@H]1CCC[NH2+]CC1 ZINC000262032265 371804939 /nfs/dbraw/zinc/80/49/39/371804939.db2.gz XIRRVMGXAHZFEF-SNVBAGLBSA-N 1 0 276.306 2.002 10 0 CEAERO COc1ccc([C@H](C)C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000262044570 371810777 /nfs/dbraw/zinc/81/07/77/371810777.db2.gz PNWHHDZNPQQOIH-RHSMWYFYSA-N 1 0 274.408 2.484 10 0 CEAERO COc1ccc(OC(F)F)c(CN2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000262045924 371811574 /nfs/dbraw/zinc/81/15/74/371811574.db2.gz PRDBVRRIWXNGSD-SKDRFNHKSA-N 1 0 286.322 2.076 10 0 CEAERO CCCOc1cc(CN2C[C@@H](C)[C@@H]([NH3+])C2)ccc1OC ZINC000262067466 371817413 /nfs/dbraw/zinc/81/74/13/371817413.db2.gz RUHKJTBZMPKEPQ-OCCSQVGLSA-N 1 0 278.396 2.263 10 0 CEAERO COC[C@H]([NH3+])C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC000262275318 371845807 /nfs/dbraw/zinc/84/58/07/371845807.db2.gz KYSIMEMSGCBTBL-IGJVIKARSA-N 1 0 296.798 2.127 10 0 CEAERO COC[C@H]([NH3+])C(=O)NCc1cccc(-c2ccc(C)cc2)c1 ZINC000262313803 371850472 /nfs/dbraw/zinc/85/04/72/371850472.db2.gz PMKWBQVUYOCNKD-KRWDZBQOSA-N 1 0 298.386 2.252 10 0 CEAERO COC[C@H]([NH3+])C(=O)N[C@@H](c1cccc(C)c1)C(C)(C)C ZINC000262338809 371854380 /nfs/dbraw/zinc/85/43/80/371854380.db2.gz SMLBRUOUDJALGJ-KBPBESRZSA-N 1 0 278.396 2.172 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(-c2ncc[nH]2)c1 ZINC000262653176 371890926 /nfs/dbraw/zinc/89/09/26/371890926.db2.gz SJWWZUYYHFQWGL-GXFFZTMASA-N 1 0 272.352 2.389 10 0 CEAERO C[C@H](COCc1ccccc1)[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000361661561 372011029 /nfs/dbraw/zinc/01/10/29/372011029.db2.gz GLDKOLXISWQMFA-LZWOXQAQSA-N 1 0 262.397 2.131 10 0 CEAERO [NH3+][C@H]1CC[C@@H](C(=O)Nc2cccc(Oc3cccnn3)c2)C1 ZINC000237883767 189892337 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ZINC000643777743 373265348 /nfs/dbraw/zinc/26/53/48/373265348.db2.gz TXDNKNNIWDTVFK-IUODEOHRSA-N 1 0 294.420 2.010 10 0 CEAERO C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000245995933 189923718 /nfs/dbraw/zinc/92/37/18/189923718.db2.gz BGSOIPIWDZDUMU-RTXFEEFZSA-N 1 0 294.345 2.136 10 0 CEAERO CNc1cc(N2CCC[C@@H]2CNc2cc[nH+]c(C)c2)ncn1 ZINC000274335554 373885373 /nfs/dbraw/zinc/88/53/73/373885373.db2.gz GYBGCMLKWXGGNN-CQSZACIVSA-N 1 0 298.394 2.303 10 0 CEAERO CC1(C)C[NH2+][C@@H]1C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000645300091 373976145 /nfs/dbraw/zinc/97/61/45/373976145.db2.gz UJWIBMXYXQFBLJ-UDNWOFFPSA-N 1 0 278.318 2.222 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+]Cc2cocn2)C1 ZINC000277041408 374387061 /nfs/dbraw/zinc/38/70/61/374387061.db2.gz PCTVWFOVTARPNU-LLVKDONJSA-N 1 0 281.356 2.021 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CCC[C@H]1[NH3+])c1ccc(F)cc1F ZINC000251496952 189969896 /nfs/dbraw/zinc/96/98/96/189969896.db2.gz DWEGURPVBBPXER-RLCGTCKNSA-N 1 0 268.307 2.269 10 0 CEAERO COc1cc(C)c(C[N@@H+]2CCC[C@@H](O)[C@H]2C)cc1OC ZINC000384927623 375222945 /nfs/dbraw/zinc/22/29/45/375222945.db2.gz RYZPSFNDPZCZBK-TZMCWYRMSA-N 1 0 279.380 2.357 10 0 CEAERO CCN1CC[C@H]([NH2+][C@@H](C)Cc2ccc(OC)cc2)C1 ZINC000389283184 375300545 /nfs/dbraw/zinc/30/05/45/375300545.db2.gz VDFCIVXBIWBCCW-ZFWWWQNUSA-N 1 0 262.397 2.310 10 0 CEAERO CCn1nc(CN[C@H]2CC[N@H+](CC)C2)c2ccccc21 ZINC000389208861 375300929 /nfs/dbraw/zinc/30/09/29/375300929.db2.gz BGTZUEPUWUYTFQ-ZDUSSCGKSA-N 1 0 272.396 2.240 10 0 CEAERO C[C@H]1CC[NH2+]C[C@@H]1Nc1ccc(OC(F)F)cn1 ZINC000389738617 375306459 /nfs/dbraw/zinc/30/64/59/375306459.db2.gz WUYVNIQTVQVESW-WPRPVWTQSA-N 1 0 257.284 2.093 10 0 CEAERO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Br)cc2)C1 ZINC000389813124 375307469 /nfs/dbraw/zinc/30/74/69/375307469.db2.gz LHGTXOPBYLFCNE-GFCCVEGCSA-N 1 0 297.196 2.273 10 0 CEAERO C[C@H]1CCC[C@H]([NH2+]C2CCN(CCO)CC2)CC1 ZINC000399153029 375359139 /nfs/dbraw/zinc/35/91/39/375359139.db2.gz CAGPUFSYQCOOAR-KBPBESRZSA-N 1 0 254.418 2.002 10 0 CEAERO Cc1ccccc1C1CC([NH2+][C@H]2CCC(=O)N[C@@H]2C)C1 ZINC000282190038 375424905 /nfs/dbraw/zinc/42/49/05/375424905.db2.gz GEEMVXPZYGVCCW-WOICTCIZSA-N 1 0 272.392 2.498 10 0 CEAERO C[C@H]1CC(C[NH2+]Cc2cc(C(N)=O)cs2)C[C@H](C)O1 ZINC000282306040 375453561 /nfs/dbraw/zinc/45/35/61/375453561.db2.gz SDLXPZOCIZWCKP-UWVGGRQHSA-N 1 0 282.409 2.140 10 0 CEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccccc1Br ZINC000282520956 375507059 /nfs/dbraw/zinc/50/70/59/375507059.db2.gz YEKUXOYRXQRKTA-JOYOIKCWSA-N 1 0 297.196 2.206 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H]([NH3+])[C@@H](F)C2)C1 ZINC000261508343 190040244 /nfs/dbraw/zinc/04/02/44/190040244.db2.gz RMLUGCZJYTXPOU-OUJBWJOFSA-N 1 0 258.337 2.073 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]CCC2CC2)C12CCOCC2 ZINC000186415245 270250340 /nfs/dbraw/zinc/25/03/40/270250340.db2.gz CXQXKZXWVOZJNL-UONOGXRCSA-N 1 0 253.386 2.350 10 0 CEAERO CCc1cc(CC)nc(N(C)CC[C@@H]([NH3+])C(C)C)n1 ZINC000311388698 376667265 /nfs/dbraw/zinc/66/72/65/376667265.db2.gz AHBVYZCGBXKQFJ-CQSZACIVSA-N 1 0 264.417 2.411 10 0 CEAERO C[C@@](O)(C[N@@H+]1CCCOC(C)(C)C1)c1ccccc1 ZINC000312036866 376700859 /nfs/dbraw/zinc/70/08/59/376700859.db2.gz PEQOWHOTLRHQLZ-MRXNPFEDSA-N 1 0 263.381 2.395 10 0 CEAERO COC(=O)c1cnc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2CO)s1 ZINC000314603606 376778891 /nfs/dbraw/zinc/77/88/91/376778891.db2.gz DEQOHJIDWLGSBM-GARJFASQSA-N 1 0 298.408 2.131 10 0 CEAERO CCN1CCC[C@H]([NH2+]CC2(OC)CCCCC2)C1 ZINC000319730824 376817809 /nfs/dbraw/zinc/81/78/09/376817809.db2.gz VLWRYHWEWZMIDQ-AWEZNQCLSA-N 1 0 254.418 2.410 10 0 CEAERO CCCCOC[C@H](O)C[NH2+]Cc1nc(C)c(C)s1 ZINC000564078126 377342542 /nfs/dbraw/zinc/34/25/42/377342542.db2.gz PLZIJECJGFAFIT-GFCCVEGCSA-N 1 0 272.414 2.027 10 0 CEAERO c1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CCc2cccnc2CC1 ZINC000333730482 377840040 /nfs/dbraw/zinc/84/00/40/377840040.db2.gz KWIWQTFOXOGHPU-ZFWWWQNUSA-N 1 0 283.379 2.045 10 0 CEAERO Cc1cnc(CCN2CC[N@@H+]3CCCC[C@@H]3C2)c(C)c1 ZINC000567497429 377830357 /nfs/dbraw/zinc/83/03/57/377830357.db2.gz WKVYKCMGSHPKMH-MRXNPFEDSA-N 1 0 273.424 2.411 10 0 CEAERO COc1c(C[NH2+]CCCC(C)(F)F)c(C)nn1C ZINC000295981918 378379449 /nfs/dbraw/zinc/37/94/49/378379449.db2.gz JOOMXEHXDQSAQC-UHFFFAOYSA-N 1 0 261.316 2.262 10 0 CEAERO Cc1nc(CCN2C[C@H]3CCC[N@H+]3C[C@H]2C)cs1 ZINC000300412473 379167439 /nfs/dbraw/zinc/16/74/39/379167439.db2.gz UKOLUNYKLNGDSL-BXUZGUMPSA-N 1 0 265.426 2.163 10 0 CEAERO NC(=O)c1c[nH+]ccc1N1CCC[C@@H](c2nccs2)C1 ZINC000302127360 379324847 /nfs/dbraw/zinc/32/48/47/379324847.db2.gz BAYXILLMKZVCRW-SNVBAGLBSA-N 1 0 288.376 2.021 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H](O)C2)C12CCOCC2 ZINC000186355621 183636695 /nfs/dbraw/zinc/63/66/95/183636695.db2.gz OEZYQXMCSUJAPH-FXUDXRNXSA-N 1 0 297.439 2.101 10 0 CEAERO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)CS(C)(=O)=O)cc1F ZINC000181363938 542273030 /nfs/dbraw/zinc/27/30/30/542273030.db2.gz YKJDVYWUJTUWMT-PWSUYJOCSA-N 1 0 287.400 2.465 10 0 CEAERO COCCC1CC[NH+](C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000528580797 380024248 /nfs/dbraw/zinc/02/42/48/380024248.db2.gz IABBKMJRAIWKRS-HUUCEWRRSA-N 1 0 255.402 2.286 10 0 CEAERO NC(=O)CC[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000036846870 542275965 /nfs/dbraw/zinc/27/59/65/542275965.db2.gz NQHDJNFLRJHZRL-UHFFFAOYSA-N 1 0 252.745 2.051 10 0 CEAERO C[C@H]1C[C@H](O)C[N@H+](Cc2cccc3cccnc32)C1 ZINC000334747599 207010161 /nfs/dbraw/zinc/01/01/61/207010161.db2.gz UNJODMUMGVJHJX-WFASDCNBSA-N 1 0 256.349 2.438 10 0 CEAERO COc1cc(OC)c(C[NH2+][C@@H]2CCC[C@@H](O)C2)c(OC)c1 ZINC000037163955 542278717 /nfs/dbraw/zinc/27/87/17/542278717.db2.gz BOAZBJFOMVFBNQ-VXGBXAGGSA-N 1 0 295.379 2.106 10 0 CEAERO COc1cc(OC)c(C[NH2+][C@@H]2CCC[C@H](O)C2)c(OC)c1 ZINC000037163951 542278773 /nfs/dbraw/zinc/27/87/73/542278773.db2.gz BOAZBJFOMVFBNQ-NEPJUHHUSA-N 1 0 295.379 2.106 10 0 CEAERO CNC(=O)[C@H]([NH2+]CCc1ccccc1Cl)C(C)C ZINC000183664359 542294051 /nfs/dbraw/zinc/29/40/51/542294051.db2.gz CKZMCIBUZBBFQD-CYBMUJFWSA-N 1 0 268.788 2.243 10 0 CEAERO CC1(C)CN(C(=O)NC[C@H]2CCCCS2)CC[C@@H]1[NH3+] ZINC000334951551 207345333 /nfs/dbraw/zinc/34/53/33/207345333.db2.gz QWJJQRUDQBSDTH-NEPJUHHUSA-N 1 0 285.457 2.041 10 0 CEAERO COC[C@H](C)C[NH2+][C@@H](C)CN(C)Cc1ccccc1 ZINC000188217513 542320659 /nfs/dbraw/zinc/32/06/59/542320659.db2.gz POSNLXFRPLQQHM-CABCVRRESA-N 1 0 264.413 2.379 10 0 CEAERO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@H](C)[C@@H]2CCCO2)c1 ZINC000037889805 184542423 /nfs/dbraw/zinc/54/24/23/184542423.db2.gz MHKQNVVGHLDRMS-OAGGEKHMSA-N 1 0 293.407 2.200 10 0 CEAERO Cc1ccc(OC[C@@H](O)C[NH2+][C@H](C)C2CC2)c(C)c1 ZINC000037889514 184542473 /nfs/dbraw/zinc/54/24/73/184542473.db2.gz AJDQLIVYNGYGHI-HIFRSBDPSA-N 1 0 263.381 2.431 10 0 CEAERO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@H](C)C2CC2)c1 ZINC000037889461 184542678 /nfs/dbraw/zinc/54/26/78/184542678.db2.gz XWQQKNWLIUFTEL-UKRRQHHQSA-N 1 0 263.381 2.431 10 0 CEAERO COc1ccc([C@H](C)NC(=[NH2+])NC(C)C)cc1OC ZINC000052043532 184566807 /nfs/dbraw/zinc/56/68/07/184566807.db2.gz BZLPVBSMMULROE-JTQLQIEISA-N 1 0 265.357 2.287 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1coc(C2CCC2)n1 ZINC000192572327 542349354 /nfs/dbraw/zinc/34/93/54/542349354.db2.gz HASSGJFRORHGTE-DGCLKSJQSA-N 1 0 289.379 2.251 10 0 CEAERO C[NH2+][C@H](C)c1ccc(SCC(=O)NCCCOC)cc1 ZINC000079580207 184594258 /nfs/dbraw/zinc/59/42/58/184594258.db2.gz XWPYKARIYNDMPF-GFCCVEGCSA-N 1 0 296.436 2.212 10 0 CEAERO [NH3+][C@H]1CCC2(C[C@H]1Sc1ccccc1)OCCO2 ZINC000081838820 184597057 /nfs/dbraw/zinc/59/70/57/184597057.db2.gz FHDBSMRCCKSSIZ-QWHCGFSZSA-N 1 0 265.378 2.402 10 0 CEAERO CC[NH2+][C@H](C)CCSc1nnc2n1CCCCC2 ZINC000081865888 184598608 /nfs/dbraw/zinc/59/86/08/184598608.db2.gz IHEMNDRUAUKUEE-LLVKDONJSA-N 1 0 268.430 2.485 10 0 CEAERO C[C@@H](OC1(C[NH3+])CCCCCC1)C(=O)N1CCCCC1 ZINC000086724751 184610347 /nfs/dbraw/zinc/61/03/47/184610347.db2.gz HFBPODYFRGDXOS-CQSZACIVSA-N 1 0 282.428 2.456 10 0 CEAERO CCCN(C1CC1)S(=O)(=O)c1ccc(C)c(C[NH2+]C)c1 ZINC000088946131 184615332 /nfs/dbraw/zinc/61/53/32/184615332.db2.gz HIUSQWAEDIYXOW-UHFFFAOYSA-N 1 0 296.436 2.278 10 0 CEAERO CC[NH2+][C@@H]1C(=O)Nc2cc(-n3cc(C)cn3)c(Cl)cc21 ZINC000092750092 184625099 /nfs/dbraw/zinc/62/50/99/184625099.db2.gz FVJVNISDOYQHHD-ZDUSSCGKSA-N 1 0 290.754 2.437 10 0 CEAERO COc1ccc2c(c1)[C@H](N)[C@@H]([N@H+](C)CC1CCC1)C2 ZINC000092839364 184631404 /nfs/dbraw/zinc/63/14/04/184631404.db2.gz NCWFQASGJVHMAN-HOTGVXAUSA-N 1 0 260.381 2.352 10 0 CEAERO COC(=O)[C@@H](C)[C@H](C)[NH2+]CCOC1CCCCC1 ZINC000093029645 184643613 /nfs/dbraw/zinc/64/36/13/184643613.db2.gz FADBTIFWZHUVPV-RYUDHWBXSA-N 1 0 257.374 2.123 10 0 CEAERO C[NH2+]C[C@@H]1CCO[C@@H]1c1cc(Cl)c2c(c1)OCCO2 ZINC000092863002 184632927 /nfs/dbraw/zinc/63/29/27/184632927.db2.gz BSEKKAADVVIILB-ZANVPECISA-N 1 0 283.755 2.408 10 0 CEAERO COCC[NH2+]C[C@@H]1CCO[C@@H]1c1cc(OC)ccc1OC ZINC000092881962 184633462 /nfs/dbraw/zinc/63/34/62/184633462.db2.gz IDDBQMCWISGHQH-LRDDRELGSA-N 1 0 295.379 2.017 10 0 CEAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)OCc1ccccc1Cl ZINC000092940670 184636106 /nfs/dbraw/zinc/63/61/06/184636106.db2.gz RUWRMQVCJAOQRM-ONGXEEELSA-N 1 0 253.729 2.381 10 0 CEAERO Cc1ccccc1[C@@H](C[NH2+]C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000093106650 184649450 /nfs/dbraw/zinc/64/94/50/184649450.db2.gz ONPRDBAKXVDOGQ-BBRMVZONSA-N 1 0 293.432 2.265 10 0 CEAERO CCCn1ncnc1C[C@@H](C[NH3+])c1ccccc1C ZINC000093104868 184649511 /nfs/dbraw/zinc/64/95/11/184649511.db2.gz GATUNYPPRNEWFR-ZDUSSCGKSA-N 1 0 258.369 2.282 10 0 CEAERO CCS(=O)(=O)CCC[C@H](C[NH2+]C)c1ccc(F)cc1 ZINC000093149028 184651875 /nfs/dbraw/zinc/65/18/75/184651875.db2.gz LCPFCFGNLHAGMV-CYBMUJFWSA-N 1 0 287.400 2.344 10 0 CEAERO CC[C@@H](C)CN(CC)S(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000093255303 184658985 /nfs/dbraw/zinc/65/89/85/184658985.db2.gz BJVVDVWGHGQRFO-KGLIPLIRSA-N 1 0 290.473 2.216 10 0 CEAERO C[C@@H]1CN(c2ncccc2Br)C[C@@]1(C)C[NH3+] ZINC000335285073 208100974 /nfs/dbraw/zinc/10/09/74/208100974.db2.gz IVWBERXASFDFOQ-BXKDBHETSA-N 1 0 284.201 2.265 10 0 CEAERO O=C1NCCC[C@H]1C[N@@H+]1CCSC2(CCCCC2)C1 ZINC000334519995 296370345 /nfs/dbraw/zinc/37/03/45/296370345.db2.gz UNLICLXKGUHRMG-ZDUSSCGKSA-N 1 0 282.453 2.264 10 0 CEAERO C[C@H](C[C@@H]1CCCCC[NH2+]1)Nc1ccccc1CC(N)=O ZINC000093515432 184686609 /nfs/dbraw/zinc/68/66/09/184686609.db2.gz WGSFNTRCEDDITG-HIFRSBDPSA-N 1 0 289.423 2.437 10 0 CEAERO CC(C)N1C(=[NH2+])NC[C@H]1c1ccccc1OC(F)F ZINC000093374136 184667929 /nfs/dbraw/zinc/66/79/29/184667929.db2.gz HMACRNJEWXSSOT-JTQLQIEISA-N 1 0 269.295 2.368 10 0 CEAERO CC[NH2+][C@H](C)[C@@H](C)S(=O)(=O)c1cc(F)ccc1F ZINC000081945948 177906752 /nfs/dbraw/zinc/90/67/52/177906752.db2.gz MARVMMYXUPROTK-RKDXNWHRSA-N 1 0 277.336 2.125 10 0 CEAERO CCC[C@@H]1CC[C@@H]([NH3+])[C@H](S(=O)(=O)CC(C)C)C1 ZINC000081928422 177900451 /nfs/dbraw/zinc/90/04/51/177900451.db2.gz OWAKTBWAMOIHJA-JHJVBQTASA-N 1 0 261.431 2.353 10 0 CEAERO CC[NH2+][C@@H]1CCCC[C@H]1S(=O)(=O)c1ccc(OC)cc1 ZINC000081923251 177896672 /nfs/dbraw/zinc/89/66/72/177896672.db2.gz JTMVFHFEVJEHNY-HUUCEWRRSA-N 1 0 297.420 2.390 10 0 CEAERO COC(=O)CSC[C@H]([NH3+])c1cc(C)ccc1C ZINC000081793255 177861307 /nfs/dbraw/zinc/86/13/07/177861307.db2.gz PUSYLZPEJFOJAW-LBPRGKRZSA-N 1 0 253.367 2.209 10 0 CEAERO CCC[C@@H](CSc1nnc(N(C)C)s1)[NH2+]C ZINC000081769476 177856827 /nfs/dbraw/zinc/85/68/27/177856827.db2.gz MVPBZYNCOFLKOY-QMMMGPOBSA-N 1 0 260.432 2.084 10 0 CEAERO C[NH2+][C@H]1CCC(C)(C)C[C@@H]1Sc1nccc(=O)[nH]1 ZINC000081775071 177857468 /nfs/dbraw/zinc/85/74/68/177857468.db2.gz QMXBVHMBYHEJOI-UWVGGRQHSA-N 1 0 267.398 2.441 10 0 CEAERO CCOC(=O)CS[C@@H](C)[C@@H]([NH3+])c1ccc(OC)cc1 ZINC000081796261 177862404 /nfs/dbraw/zinc/86/24/04/177862404.db2.gz YTQGTEYDULKJRJ-IINYFYTJSA-N 1 0 283.393 2.380 10 0 CEAERO C[NH2+][C@H]1c2ccccc2CC[C@@H]1SCCS(C)(=O)=O ZINC000081768873 177855927 /nfs/dbraw/zinc/85/59/27/177855927.db2.gz KQLBMWIYSBVZMS-KBPBESRZSA-N 1 0 299.461 2.040 10 0 CEAERO O[C@@H]1CCCC[C@@H]1[N@@H+]1CCOc2cccc(F)c2C1 ZINC000334612467 285311748 /nfs/dbraw/zinc/31/17/48/285311748.db2.gz MIETULBKRFRZBI-UONOGXRCSA-N 1 0 265.328 2.324 10 0 CEAERO COCCCSC[C@H](C(N)=[NH2+])c1ccccc1 ZINC000080795693 177708092 /nfs/dbraw/zinc/70/80/92/177708092.db2.gz WPMFFLLBTVTMSK-LBPRGKRZSA-N 1 0 252.383 2.476 10 0 CEAERO CC[NH2+][C@H]1CCCN([C@@H](CC)c2nccs2)C1=O ZINC000080331346 177642317 /nfs/dbraw/zinc/64/23/17/177642317.db2.gz VZOBFLOYSDRCKP-QWRGUYRKSA-N 1 0 267.398 2.195 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1[NH2+]CCc2ccccc21)c1nccs1 ZINC000080269873 177634887 /nfs/dbraw/zinc/63/48/87/177634887.db2.gz MTWIRWMYDQLZMY-ZWNOBZJWSA-N 1 0 287.388 2.207 10 0 CEAERO CC[C@H](NC(=O)C1(C)CC[NH2+]CC1)c1nccs1 ZINC000080269004 177634263 /nfs/dbraw/zinc/63/42/63/177634263.db2.gz JBSYFXQTIKPBDX-JTQLQIEISA-N 1 0 267.398 2.100 10 0 CEAERO CC[C@H](NC(=O)CCC[NH2+]C(C)C)c1nccs1 ZINC000080269404 177634290 /nfs/dbraw/zinc/63/42/90/177634290.db2.gz DNYLQRHMMUKVRY-NSHDSACASA-N 1 0 269.414 2.489 10 0 CEAERO Cc1ccc(C[C@@H](C)[NH2+]CCC(=O)NC(C)C)s1 ZINC000080245849 177630853 /nfs/dbraw/zinc/63/08/53/177630853.db2.gz UHSKGHHJTPXNPV-LLVKDONJSA-N 1 0 268.426 2.492 10 0 CEAERO O[C@@]1(C(F)(F)F)[C@@H]2C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000100645567 285343935 /nfs/dbraw/zinc/34/39/35/285343935.db2.gz YKUFXGLOCSQPJR-ITGUQSILSA-N 1 0 271.282 2.432 10 0 CEAERO CCCN(CC[C@H]1CCC[C@@]1(CO)[NH2+]C)CC(F)(F)F ZINC000093617235 184696023 /nfs/dbraw/zinc/69/60/23/184696023.db2.gz KJHXVMRZEPWLDK-OLZOCXBDSA-N 1 0 296.377 2.401 10 0 CEAERO [NH3+][C@@]1(CO)CCC[C@@H]1CCn1cc(-c2ccccc2)cn1 ZINC000093618528 184696589 /nfs/dbraw/zinc/69/65/89/184696589.db2.gz DPLPVXPGLQJXMS-IAGOWNOFSA-N 1 0 285.391 2.430 10 0 CEAERO CC[NH2+][C@@]1(CO)CCC[C@H]1CCn1nc(C)c(C)c1C ZINC000093618884 184696785 /nfs/dbraw/zinc/69/67/85/184696785.db2.gz BOTXMCAGRMKJQV-JKSUJKDBSA-N 1 0 279.428 2.339 10 0 CEAERO CC[NH2+][C@]1(CO)CCC[C@@H]1CCOC[C@@H]1CCCCO1 ZINC000093620525 184697311 /nfs/dbraw/zinc/69/73/11/184697311.db2.gz WNRLWWDHDGNHID-PMPSAXMXSA-N 1 0 285.428 2.103 10 0 CEAERO NC(=O)[C@]1([NH2+]C2CC2)CCC[C@H]1CCOCC1CCCC1 ZINC000093626498 184698356 /nfs/dbraw/zinc/69/83/56/184698356.db2.gz SBPZGOKWKLKCIS-YOEHRIQHSA-N 1 0 294.439 2.360 10 0 CEAERO Cc1cccc(NC(=O)c2ccc(CC[NH3+])cc2)c1O ZINC000093654529 184703794 /nfs/dbraw/zinc/70/37/94/184703794.db2.gz NEVSIMBMJFMESK-UHFFFAOYSA-N 1 0 270.332 2.454 10 0 CEAERO CC[C@@]1(C(=O)Nc2cccc(C)c2O)CCC[NH2+]C1 ZINC000093654519 184703871 /nfs/dbraw/zinc/70/38/71/184703871.db2.gz QQXXLFGJFALSQO-OAHLLOKOSA-N 1 0 262.353 2.419 10 0 CEAERO CCCC[C@H](C[C@H]1CCCN(S(C)(=O)=O)C1)[NH2+]CC ZINC000093700810 184707934 /nfs/dbraw/zinc/70/79/34/184707934.db2.gz LEJXRTRLUFXCND-ZIAGYGMSSA-N 1 0 290.473 2.216 10 0 CEAERO COC(=O)[C@]1(NC2CC2)CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000093748940 184713398 /nfs/dbraw/zinc/71/33/98/184713398.db2.gz BGLXRFNOGFPPQO-WBVHZDCISA-N 1 0 294.439 2.469 10 0 CEAERO Cc1cccc(CS[C@@H]2CCC[C@@]([NH3+])(C(N)=O)C2)c1 ZINC000093779422 184720528 /nfs/dbraw/zinc/72/05/28/184720528.db2.gz HZKHPUCAXICVLP-HIFRSBDPSA-N 1 0 278.421 2.354 10 0 CEAERO Cc1ccccc1CS[C@H]1CCC[C@]([NH3+])(C(N)=O)C1 ZINC000093779389 184720539 /nfs/dbraw/zinc/72/05/39/184720539.db2.gz RDKZLSUOENHBPN-DZGCQCFKSA-N 1 0 278.421 2.354 10 0 CEAERO CC[NH2+][C@@]1(C(N)=O)CCC[C@@H](SC2CCCC2)C1 ZINC000093779731 184720665 /nfs/dbraw/zinc/72/06/65/184720665.db2.gz DALSLRIFFHPGOU-OCCSQVGLSA-N 1 0 270.442 2.438 10 0 CEAERO CC(C)[NH2+][C@@]1(CO)CCC[C@@H](N(C)CC(F)(F)F)C1 ZINC000093782702 184720853 /nfs/dbraw/zinc/72/08/53/184720853.db2.gz UCBNEGWCFZOPEA-NEPJUHHUSA-N 1 0 282.350 2.152 10 0 CEAERO Cc1nn([C@H]2CCC[C@](CO)([NH2+]C3CC3)C2)c(C)c1C ZINC000093784256 184721550 /nfs/dbraw/zinc/72/15/50/184721550.db2.gz LPZLDIIJWMFECH-HOTGVXAUSA-N 1 0 277.412 2.407 10 0 CEAERO COc1cccc(S[C@@H]2CCC[C@@]([NH3+])(CO)C2)c1 ZINC000093786511 184721951 /nfs/dbraw/zinc/72/19/51/184721951.db2.gz XSKWRNIFDSTIHN-KGLIPLIRSA-N 1 0 267.394 2.420 10 0 CEAERO CC(C)[NH2+][C@@]1(CO)CCC[C@@H](OCC2CCOCC2)C1 ZINC000093784528 184722124 /nfs/dbraw/zinc/72/21/24/184722124.db2.gz BJMWAWYGKCDXEZ-CVEARBPZSA-N 1 0 285.428 2.101 10 0 CEAERO CCN(CC1CC[NH2+]CC1)C(=O)CCC(F)(F)F ZINC000094022277 184750069 /nfs/dbraw/zinc/75/00/69/184750069.db2.gz MSVAQRZQZTUCSK-UHFFFAOYSA-N 1 0 266.307 2.177 10 0 CEAERO CCN(CC1CC[NH2+]CC1)c1cccc(Cl)c1C(N)=O ZINC000094043480 184751612 /nfs/dbraw/zinc/75/16/12/184751612.db2.gz WINLHZMYUQBXJA-UHFFFAOYSA-N 1 0 295.814 2.265 10 0 CEAERO CCCn1c2ccccc2nc1C[C@@](C)(O)CC[NH3+] ZINC000094173253 184758968 /nfs/dbraw/zinc/75/89/68/184758968.db2.gz LHWDONFBKMWEPU-HNNXBMFYSA-N 1 0 261.369 2.089 10 0 CEAERO C[C@@H](CNC(=O)c1c(F)ccc(N)c1F)C[NH+]1CCCC1 ZINC000094190074 184761032 /nfs/dbraw/zinc/76/10/32/184761032.db2.gz BHOFJAPGOKWLNS-JTQLQIEISA-N 1 0 297.349 2.009 10 0 CEAERO CC[C@](C)([NH3+])C(=O)N(C)Cc1ccc(F)cc1F ZINC000094234650 184767524 /nfs/dbraw/zinc/76/75/24/184767524.db2.gz KHCAJGLVKDHXFU-ZDUSSCGKSA-N 1 0 256.296 2.051 10 0 CEAERO CCC[N@H+](CCN(C)C)C[C@H]1CCCC(C)(C)[C@@H]1O ZINC000094289508 184775733 /nfs/dbraw/zinc/77/57/33/184775733.db2.gz MXNJABYHHHYRBA-HUUCEWRRSA-N 1 0 270.461 2.447 10 0 CEAERO C[C@@H](NC(=O)CC1([NH3+])CCC1)c1ccccc1F ZINC000094294250 184777142 /nfs/dbraw/zinc/77/71/42/184777142.db2.gz UQBGMARVNXHDRH-SNVBAGLBSA-N 1 0 250.317 2.274 10 0 CEAERO C[C@H](NC(=O)CC1([NH3+])CCC1)c1ccc(F)cc1 ZINC000094294991 184777996 /nfs/dbraw/zinc/77/79/96/184777996.db2.gz BPCADMUGCOTGHT-JTQLQIEISA-N 1 0 250.317 2.274 10 0 CEAERO CC[NH2+][C@H]([C@@H]1CCOC2(CCC2)C1)[C@@H]1CN(CC)CCO1 ZINC000094408227 184794022 /nfs/dbraw/zinc/79/40/22/184794022.db2.gz XHGOBTXSQIKWKZ-OWCLPIDISA-N 1 0 296.455 2.035 10 0 CEAERO CCC1([NH3+])CN([C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000094413478 184794497 /nfs/dbraw/zinc/79/44/97/184794497.db2.gz ZIBRMPIVGBYSBO-CYBMUJFWSA-N 1 0 252.402 2.291 10 0 CEAERO C([C@@H]1CCC[NH2+]C1)[C@H]1CCOC2(CCOCC2)C1 ZINC000094411431 184794780 /nfs/dbraw/zinc/79/47/80/184794780.db2.gz PDBZTSFIHXJTDT-KGLIPLIRSA-N 1 0 253.386 2.352 10 0 CEAERO CC(C)C[NH2+]C[C@@](C)(O)[C@H]1CCOC2(CCC2)C1 ZINC000094418945 184794875 /nfs/dbraw/zinc/79/48/75/184794875.db2.gz DGRQUIYKGOXWHJ-UONOGXRCSA-N 1 0 255.402 2.332 10 0 CEAERO CN(Cc1ccoc1)C(=O)[C@@H]1CCCCC[C@H]1[NH3+] ZINC000094752808 184852841 /nfs/dbraw/zinc/85/28/41/184852841.db2.gz LKCNTRSGSRBVOY-CHWSQXEVSA-N 1 0 250.342 2.146 10 0 CEAERO CC(C)n1cc(NC(=O)[C@H]2CCCCC[C@@H]2[NH3+])cn1 ZINC000094753547 184852895 /nfs/dbraw/zinc/85/28/95/184852895.db2.gz UJKJUFDSLFQBCN-STQMWFEESA-N 1 0 264.373 2.310 10 0 CEAERO CCC[NH2+]Cc1cccn1Cc1ccc(C(=O)OC)cn1 ZINC000094763165 184856338 /nfs/dbraw/zinc/85/63/38/184856338.db2.gz JJOCGPJUUAKVKW-UHFFFAOYSA-N 1 0 287.363 2.218 10 0 CEAERO CCn1nc(C[C@H]([NH3+])[C@@]2(C)CCCO2)c2ccccc21 ZINC000094782839 184862793 /nfs/dbraw/zinc/86/27/93/184862793.db2.gz WSGOJMOFRFFFCI-JKSUJKDBSA-N 1 0 273.380 2.495 10 0 CEAERO C[C@]1(c2noc([C@H]3CCCC[C@@H]3C[NH3+])n2)CCCO1 ZINC000094781324 184862985 /nfs/dbraw/zinc/86/29/85/184862985.db2.gz YXXYKGNHZGIQBY-UHIISALHSA-N 1 0 265.357 2.328 10 0 CEAERO C[C@H]([NH2+]C[C@]1(C)CCCO1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000094797662 184867181 /nfs/dbraw/zinc/86/71/81/184867181.db2.gz AFLZODYGHJQGDU-BONVTDFDSA-N 1 0 275.352 2.076 10 0 CEAERO Nc1cc[nH+]cc1C[C@H](O)c1cncc(Br)c1 ZINC000094823625 184874529 /nfs/dbraw/zinc/87/45/29/184874529.db2.gz ADTAVBWZZXHOFK-LBPRGKRZSA-N 1 0 294.152 2.097 10 0 CEAERO C[C@@H]1C[C@](C[NH3+])(N(C)Cc2ccccc2F)CS1 ZINC000094473368 184807301 /nfs/dbraw/zinc/80/73/01/184807301.db2.gz ONYZIHUKCXKAHA-BXUZGUMPSA-N 1 0 268.401 2.480 10 0 CEAERO CC(C)C[C@H]([NH2+][C@H]1CCCS[C@@H]1C)C(=O)N(C)C ZINC000094476158 184807868 /nfs/dbraw/zinc/80/78/68/184807868.db2.gz RVTFBZAQNRQAAH-AGIUHOORSA-N 1 0 272.458 2.363 10 0 CEAERO CC[NH2+][C@H](Cc1nc(CCC(F)(F)F)no1)C1CC1 ZINC000094494249 184809982 /nfs/dbraw/zinc/80/99/82/184809982.db2.gz KJIZIWNDTBHEIT-SECBINFHSA-N 1 0 277.290 2.495 10 0 CEAERO C(c1nc([C@H]2CSCCS2)no1)[C@@H]1CCC[NH2+]C1 ZINC000094496088 184810769 /nfs/dbraw/zinc/81/07/69/184810769.db2.gz YFWNZGYWHRUKBU-VHSXEESVSA-N 1 0 285.438 2.133 10 0 CEAERO C[NH2+][C@@H]([C@@H]1CSCCO1)[C@H]1CCOC2(CCCC2)C1 ZINC000094503240 184811364 /nfs/dbraw/zinc/81/13/64/184811364.db2.gz KWRGCKCXFRDWGE-MELADBBJSA-N 1 0 285.453 2.446 10 0 CEAERO [NH3+][C@@H](Cc1ccc2c(c1)CCC2)[C@H]1CSCCO1 ZINC000094502494 184811649 /nfs/dbraw/zinc/81/16/49/184811649.db2.gz PPYBQDVRYOFOIW-LSDHHAIUSA-N 1 0 263.406 2.177 10 0 CEAERO CC[NH2+][C@H](Cc1ccncc1Cl)[C@@H]1CSCCO1 ZINC000094503658 184811666 /nfs/dbraw/zinc/81/16/66/184811666.db2.gz HSVPPQDALSCQIQ-OLZOCXBDSA-N 1 0 286.828 2.388 10 0 CEAERO CCC[NH2+][C@H](c1cccnc1)[C@H]1CSCCO1 ZINC000094504860 184812218 /nfs/dbraw/zinc/81/22/18/184812218.db2.gz ZGBPGTXGVGPKGV-CHWSQXEVSA-N 1 0 252.383 2.254 10 0 CEAERO Cc1nc([C@@H]2CSCCO2)nc(C)c1C[C@@H](C)C[NH3+] ZINC000094505513 184812309 /nfs/dbraw/zinc/81/23/09/184812309.db2.gz SOCBZFPLUXSBNL-RNCFNFMXSA-N 1 0 281.425 2.035 10 0 CEAERO CC[C@@]1(C(=O)Nc2cc(C)ccc2O)CCC[NH2+]C1 ZINC000094574158 184821791 /nfs/dbraw/zinc/82/17/91/184821791.db2.gz RXVOLKPKDXDLCX-OAHLLOKOSA-N 1 0 262.353 2.419 10 0 CEAERO [NH3+][C@H](Cc1ccccc1)[C@@H](O)CSc1ccncc1 ZINC000094614738 184826093 /nfs/dbraw/zinc/82/60/93/184826093.db2.gz XBNIEFGTHQNFCP-CABCVRRESA-N 1 0 274.389 2.105 10 0 CEAERO COc1ccc(C[C@H]([NH3+])[C@@H]2CCc3cccnc32)cn1 ZINC000094632294 184829589 /nfs/dbraw/zinc/82/95/89/184829589.db2.gz WIODLZGPCQIABY-KBPBESRZSA-N 1 0 269.348 2.085 10 0 CEAERO C[NH2+][C@H](Cc1ccc(OC)nc1)c1cnccc1C ZINC000094632550 184829672 /nfs/dbraw/zinc/82/96/72/184829672.db2.gz NUBVXJNWAMOWHG-CQSZACIVSA-N 1 0 257.337 2.297 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000094647335 184833154 /nfs/dbraw/zinc/83/31/54/184833154.db2.gz NIGIIDOIWTWWRX-XQLPTFJDSA-N 1 0 264.413 2.413 10 0 CEAERO CCc1ccc(C[C@H](C)[C@@H](C)[NH2+]CCOC)nc1 ZINC000094656568 184835419 /nfs/dbraw/zinc/83/54/19/184835419.db2.gz WWVVBYUWTPXPKS-QWHCGFSZSA-N 1 0 250.386 2.447 10 0 CEAERO Cc1nc2ccccn2c1C[NH2+]C[C@@H](C)N1CCCC1 ZINC000094722676 184846413 /nfs/dbraw/zinc/84/64/13/184846413.db2.gz SJRQXXZPQNWELG-CYBMUJFWSA-N 1 0 272.396 2.217 10 0 CEAERO CCCCCC(C)(C)C[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000094984593 184909910 /nfs/dbraw/zinc/90/99/10/184909910.db2.gz TXMPDCZQFARCAT-GFCCVEGCSA-N 1 0 261.431 2.370 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C)CN1Cc1nc(C)c(C)s1 ZINC000094979326 184910267 /nfs/dbraw/zinc/91/02/67/184910267.db2.gz LVRMBPHITQLZHP-BXKDBHETSA-N 1 0 253.415 2.332 10 0 CEAERO CCCCCC(C)(C)CNS(=O)(=O)C[C@H]1CCC[NH2+]1 ZINC000094990637 184910676 /nfs/dbraw/zinc/91/06/76/184910676.db2.gz PPKJBFCMMORHBV-CYBMUJFWSA-N 1 0 290.473 2.264 10 0 CEAERO CCOc1nc2ccccc2nc1N(C)[C@@H]1CCC[NH2+]C1 ZINC000095069665 184931291 /nfs/dbraw/zinc/93/12/91/184931291.db2.gz PQPVTIDPKGHFTD-GFCCVEGCSA-N 1 0 286.379 2.217 10 0 CEAERO O=[S@@](CC1CC[NH2+]CC1)c1nc2ccccc2s1 ZINC000095073724 184934365 /nfs/dbraw/zinc/93/43/65/184934365.db2.gz XTQTZPOHSPCKOH-GOSISDBHSA-N 1 0 280.418 2.404 10 0 CEAERO O=[S@](C[C@@H]1CC[NH2+]C1)c1nc2ccccc2s1 ZINC000095073685 184934815 /nfs/dbraw/zinc/93/48/15/184934815.db2.gz DVHQKWYZCJYFQT-XLFHBGCDSA-N 1 0 266.391 2.013 10 0 CEAERO [NH3+][C@@H]1CCOC[C@H]1Cc1ccc(Br)cc1 ZINC000095077445 184936391 /nfs/dbraw/zinc/93/63/91/184936391.db2.gz HLMQHRGQRRTJRT-ZYHUDNBSSA-N 1 0 270.170 2.355 10 0 CEAERO C[NH2+][C@@H]1COC[C@H]1C(=O)N(CCC(C)C)C1CCCC1 ZINC000094847865 184880561 /nfs/dbraw/zinc/88/05/61/184880561.db2.gz NVOYFKBXQYCNKZ-HUUCEWRRSA-N 1 0 282.428 2.038 10 0 CEAERO Cc1ccsc1CN1CC[C@@H]([NH2+]C(C)C)C1=O ZINC000094884861 184887148 /nfs/dbraw/zinc/88/71/48/184887148.db2.gz CLGCDBBIMIYOMS-LLVKDONJSA-N 1 0 252.383 2.155 10 0 CEAERO CCN(Cc1cccc(C)n1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000094914544 184892032 /nfs/dbraw/zinc/89/20/32/184892032.db2.gz SDUAPEOZHGVPHA-ZFWWWQNUSA-N 1 0 275.396 2.114 10 0 CEAERO CCN(Cc1ccccn1)C(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000094914814 184892294 /nfs/dbraw/zinc/89/22/94/184892294.db2.gz RHCMLUHMQOCPHU-AWEZNQCLSA-N 1 0 275.396 2.352 10 0 CEAERO CC[C@@H](CC[NH3+])CNC(=O)Nc1ccc(OC)cc1 ZINC000094962234 184906446 /nfs/dbraw/zinc/90/64/46/184906446.db2.gz VTYLAONHAGVKGZ-NSHDSACASA-N 1 0 265.357 2.192 10 0 CEAERO C[C@H](CC[NH2+][C@@H]1CCC(=O)N[C@@H]1C)c1ccccc1 ZINC000281818656 195394215 /nfs/dbraw/zinc/39/42/15/195394215.db2.gz QWGCUWFDGAMSBJ-UMVBOHGHSA-N 1 0 260.381 2.437 10 0 CEAERO Cc1ccc(C2CC([NH2+][C@H]3CCC(=O)N[C@@H]3C)C2)cc1 ZINC000282127215 195513834 /nfs/dbraw/zinc/51/38/34/195513834.db2.gz BDTBLWKHFVIZSW-KKOFPSKJSA-N 1 0 272.392 2.498 10 0 CEAERO C[C@@H](Nc1ccc(OCC(F)(F)F)nc1)[C@H]1CC[NH2+]C1 ZINC000400454401 533555896 /nfs/dbraw/zinc/55/58/96/533555896.db2.gz PLVUTBBMVPPRMP-ZJUUUORDSA-N 1 0 289.301 2.433 10 0 CEAERO Cc1cccc(NC[C@H]2CCN(Cc3cocn3)C2)[nH+]1 ZINC000191939270 130332801 /nfs/dbraw/zinc/33/28/01/130332801.db2.gz ZRVHUOUGAVPOFC-CYBMUJFWSA-N 1 0 272.352 2.312 10 0 CEAERO C[NH2+]CCCC(=O)NC(C)(C)c1ccccc1OC ZINC000237150491 131008247 /nfs/dbraw/zinc/00/82/47/131008247.db2.gz DBQGKCJJNPZGPH-UHFFFAOYSA-N 1 0 264.369 2.046 10 0 CEAERO C[C@@H](C[NH2+]C[C@@H](C)N1CCOCC1)c1ccccc1 ZINC000237521588 131038460 /nfs/dbraw/zinc/03/84/60/131038460.db2.gz GFKSZJKJNQHNRA-LSDHHAIUSA-N 1 0 262.397 2.100 10 0 CEAERO C[C@H]1CN([C@H]2CCN(c3ccccc3F)C2=O)CCS1 ZINC000246520979 131094522 /nfs/dbraw/zinc/09/45/22/131094522.db2.gz FAUVCQRCLZFADR-FZMZJTMJSA-N 1 0 294.395 2.368 10 0 CEAERO C[C@H]([NH2+]C[C@@H](O)c1cc(F)ccc1F)[C@H]1CCCO1 ZINC000249688072 131122999 /nfs/dbraw/zinc/12/29/99/131122999.db2.gz SULPWUCLMQMXSY-CUOATXAZSA-N 1 0 271.307 2.155 10 0 CEAERO Cc1cc2ncc([C@H](C)[NH2+][C@H]3CCO[C@H]3C)c(C)n2n1 ZINC000250918609 131127068 /nfs/dbraw/zinc/12/70/68/131127068.db2.gz KKFIFJUKSBCVFG-JKOKRWQUSA-N 1 0 274.368 2.174 10 0 CEAERO CSCC[C@H]([NH3+])C(=O)N1Cc2ccccc2C(C)(C)C1 ZINC000262581454 131235894 /nfs/dbraw/zinc/23/58/94/131235894.db2.gz QXMZIDSHLBWFKH-AWEZNQCLSA-N 1 0 292.448 2.387 10 0 CEAERO CCC[C@](C)([NH3+])C(=O)Nc1cccc(C[S@](C)=O)c1C ZINC000262646665 131246527 /nfs/dbraw/zinc/24/65/27/131246527.db2.gz SEXHYXUDIAKBDJ-YWZLYKJASA-N 1 0 296.436 2.330 10 0 CEAERO CC[C@@H]([NH3+])Cc1c(C)nn(CC2CCOCC2)c1C ZINC000054741258 522640130 /nfs/dbraw/zinc/64/01/30/522640130.db2.gz OOZCPSWMEYDKAY-CQSZACIVSA-N 1 0 265.401 2.206 10 0 CEAERO [NH3+]C[C@@H](CN1c2ccccc2OCC1=O)c1ccccc1 ZINC000080783562 134496534 /nfs/dbraw/zinc/49/65/34/134496534.db2.gz ILGPDTHMZYKYJD-AWEZNQCLSA-N 1 0 282.343 2.155 10 0 CEAERO C[C@@H]([NH3+])C1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000081585744 134498988 /nfs/dbraw/zinc/49/89/88/134498988.db2.gz HVFFLTRBCOALTL-MRVPVSSYSA-N 1 0 274.290 2.059 10 0 CEAERO CC[C@H](C)[C@@H](C[NH3+])N1CCN(c2ccccc2)CC1 ZINC000037228052 134834720 /nfs/dbraw/zinc/83/47/20/134834720.db2.gz RJGJCLJCVOVAKR-GOEBONIOSA-N 1 0 261.413 2.182 10 0 CEAERO [NH3+]Cc1ccc(N2C(=O)CCCC2=O)c(C(F)(F)F)c1 ZINC000041114411 134877407 /nfs/dbraw/zinc/87/74/07/134877407.db2.gz RCKIGIFBIDQAHG-UHFFFAOYSA-N 1 0 286.253 2.208 10 0 CEAERO CC[NH2+]CCN1CCN(c2ccccc2Cl)CC1 ZINC000042409455 134889144 /nfs/dbraw/zinc/88/91/44/134889144.db2.gz JEGNCYAYBHMMCY-UHFFFAOYSA-N 1 0 267.804 2.072 10 0 CEAERO CC[C@H](C[NH2+]CC(C)C)N1CCN(c2ccccn2)CC1 ZINC000052418568 134924277 /nfs/dbraw/zinc/92/42/77/134924277.db2.gz IQGACMXOCBQFMI-MRXNPFEDSA-N 1 0 290.455 2.228 10 0 CEAERO CC[NH2+]C[C@@H](C)CN1c2ccccc2O[C@H](C)C1=O ZINC000070527130 134952266 /nfs/dbraw/zinc/95/22/66/134952266.db2.gz OIVNAVDNEKULKL-VXGBXAGGSA-N 1 0 262.353 2.046 10 0 CEAERO CC(C)Oc1cncc(N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000071176178 134959398 /nfs/dbraw/zinc/95/93/98/134959398.db2.gz GAWKNRHPTODVGM-UONOGXRCSA-N 1 0 290.411 2.375 10 0 CEAERO C[C@H]1C[NH2+]CCN1c1cccc(OC(F)(F)F)c1 ZINC000083433808 135020952 /nfs/dbraw/zinc/02/09/52/135020952.db2.gz QUOYVEJEUPZDIT-VIFPVBQESA-N 1 0 260.259 2.383 10 0 CEAERO COc1ccc(OC)c(N2CC[NH2+]C[C@H]2C(C)C)c1 ZINC000083479489 135023953 /nfs/dbraw/zinc/02/39/53/135023953.db2.gz MPXNQYAKHYGMMZ-AWEZNQCLSA-N 1 0 264.369 2.138 10 0 CEAERO COc1cc(OC)cc(N2CC[NH2+][C@@](C)(C3CC3)C2)c1 ZINC000086122993 135038716 /nfs/dbraw/zinc/03/87/16/135038716.db2.gz SAGKMTKGONPZPH-MRXNPFEDSA-N 1 0 276.380 2.282 10 0 CEAERO CN(C)c1ccc(N2CC[NH2+][C@@](C)(C3CC3)C2)cc1 ZINC000086128222 135039228 /nfs/dbraw/zinc/03/92/28/135039228.db2.gz JOWPIRAEOCZISL-MRXNPFEDSA-N 1 0 259.397 2.331 10 0 CEAERO CCC(O)(CC)C[NH2+][C@H]1CC(=O)N(C)c2ccccc21 ZINC000087014010 135049200 /nfs/dbraw/zinc/04/92/00/135049200.db2.gz QDWOAFAZZSRUMW-ZDUSSCGKSA-N 1 0 276.380 2.235 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N1CCCc2cc(OC)ccc21 ZINC000087532043 135050193 /nfs/dbraw/zinc/05/01/93/135050193.db2.gz BUVNYRYOVNNCCY-CYBMUJFWSA-N 1 0 276.380 2.349 10 0 CEAERO CC[C@H](C[NH3+])CN1CCN(c2ccccc2Cl)CC1 ZINC000087535341 135050898 /nfs/dbraw/zinc/05/08/98/135050898.db2.gz ADZYQQSVFUOILL-CYBMUJFWSA-N 1 0 281.831 2.447 10 0 CEAERO CCOCOc1ccc(C)cc1N1CCC[C@@H]([NH3+])C1 ZINC000087888993 135052037 /nfs/dbraw/zinc/05/20/37/135052037.db2.gz CCPVPOJUIRSRLQ-CYBMUJFWSA-N 1 0 264.369 2.295 10 0 CEAERO Cc1noc2ncnc(N3CC[NH2+]CC34CCCCC4)c12 ZINC000088396598 135054335 /nfs/dbraw/zinc/05/43/35/135054335.db2.gz IZFYHCFAANAXLO-UHFFFAOYSA-N 1 0 287.367 2.039 10 0 CEAERO C[C@@H]1CCc2ccccc2N1C(=O)C[C@H]1CC[NH2+]C1 ZINC000089717473 135059969 /nfs/dbraw/zinc/05/99/69/135059969.db2.gz TUSIBJZGNCNHKM-CHWSQXEVSA-N 1 0 258.365 2.354 10 0 CEAERO CC[C@H]([NH3+])CSCC(=O)N1CCCc2ccccc21 ZINC000090356360 135063099 /nfs/dbraw/zinc/06/30/99/135063099.db2.gz XMRLIPBBYQFWJO-ZDUSSCGKSA-N 1 0 278.421 2.436 10 0 CEAERO CC[NH2+][C@@H]1COC[C@H]1CN1CCCc2cc(C)ccc21 ZINC000090493520 135063115 /nfs/dbraw/zinc/06/31/15/135063115.db2.gz TZMCCIDJHWYUJG-HZPDHXFCSA-N 1 0 274.408 2.372 10 0 CEAERO CCOc1cc(N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)nc(C)n1 ZINC000090787804 135065480 /nfs/dbraw/zinc/06/54/80/135065480.db2.gz FAOMDSNUDJUYPY-KGLIPLIRSA-N 1 0 290.411 2.152 10 0 CEAERO CC[NH2+]C[C@H]1CCCCN1c1ncnc(OCC)c1C ZINC000090789894 135065613 /nfs/dbraw/zinc/06/56/13/135065613.db2.gz DIRPJZDPFDWSOF-CYBMUJFWSA-N 1 0 278.400 2.152 10 0 CEAERO CCOc1cc(N2C[C@H](CC)[NH2+]C[C@@H]2CC)nc(C)n1 ZINC000090787933 135065688 /nfs/dbraw/zinc/06/56/88/135065688.db2.gz ZIUCCLKVSPTZKY-STQMWFEESA-N 1 0 278.400 2.151 10 0 CEAERO CC[C@@H]1C[NH2+]CCN1c1cc(C(F)(F)F)ccn1 ZINC000090804654 135066064 /nfs/dbraw/zinc/06/60/64/135066064.db2.gz FXVDDOWPYAEEEQ-SNVBAGLBSA-N 1 0 259.275 2.289 10 0 CEAERO CC[C@H]([NH3+])Cc1ccccc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090908277 135066518 /nfs/dbraw/zinc/06/65/18/135066518.db2.gz LJEXZLUIOCARAY-SOUVJXGZSA-N 1 0 260.381 2.334 10 0 CEAERO C[C@@H]([NH3+])Cc1cc(F)ccc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090908291 135066624 /nfs/dbraw/zinc/06/66/24/135066624.db2.gz VYVLBIFQEBKFME-HONMWMINSA-N 1 0 264.344 2.083 10 0 CEAERO C[C@@H]([NH3+])Cc1cc(F)c(N2C[C@H]3CC[C@@H](C2)O3)c(F)c1 ZINC000090908256 135066830 /nfs/dbraw/zinc/06/68/30/135066830.db2.gz HLTMNEMBITXACQ-JLLWLGSASA-N 1 0 282.334 2.222 10 0 CEAERO C[C@H](O)c1cc(F)ccc1N1CCC[C@@H]([NH+](C)C)C1 ZINC000091394780 135068919 /nfs/dbraw/zinc/06/89/19/135068919.db2.gz DCJWCKPXTZKKBK-WCQYABFASA-N 1 0 266.360 2.409 10 0 CEAERO CCC[NH2+]Cc1cncc(N2C[C@H](C)C[C@@H](C)C2)n1 ZINC000091418847 135069506 /nfs/dbraw/zinc/06/95/06/135069506.db2.gz MILXMDZMTAHTQU-CHWSQXEVSA-N 1 0 262.401 2.459 10 0 CEAERO C[C@@H]1[NH2+]CC[C@@H]1CN1CCN(c2cccc(Cl)c2)CC1 ZINC000092957681 135077683 /nfs/dbraw/zinc/07/76/83/135077683.db2.gz OGJWXEYKYOTKHH-UONOGXRCSA-N 1 0 293.842 2.460 10 0 CEAERO COC(=O)[C@H](C)[C@H](C)[NH+]1CCN(c2ccccc2F)CC1 ZINC000093036506 135078298 /nfs/dbraw/zinc/07/82/98/135078298.db2.gz LWWNYUDTCFLEHP-OLZOCXBDSA-N 1 0 294.370 2.145 10 0 CEAERO C[NH2+]C[C@H](C)[C@@H](C)N1CCN(c2ccc(F)cc2)CC1 ZINC000093068387 135079025 /nfs/dbraw/zinc/07/90/25/135079025.db2.gz PXRSSNRSZKEQBV-UONOGXRCSA-N 1 0 279.403 2.192 10 0 CEAERO C[C@@H]1CN(c2cccc(F)c2C[NH3+])CC(C)(C)O1 ZINC000093395397 135080504 /nfs/dbraw/zinc/08/05/04/135080504.db2.gz OSXYBZOUBCBERU-SNVBAGLBSA-N 1 0 252.333 2.288 10 0 CEAERO CC[C@@H]1CN(c2ccc(C(C)=O)c(O)c2)CC[N@@H+]1C ZINC000093669538 135081418 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CC[N@@H+]1CCC[C@H](NC(=O)COc2ccc(Cl)cc2)C1 ZINC000048753496 394526374 /nfs/dbraw/zinc/52/63/74/394526374.db2.gz PIIVDVBGYAWLLI-ZDUSSCGKSA-N 1 0 296.798 2.319 10 0 CEAERO CC[C@@H]1CCC[C@H](NC(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000247165177 394527187 /nfs/dbraw/zinc/52/71/87/394527187.db2.gz KVNFPFKWWGWWSY-HZSPNIEDSA-N 1 0 267.417 2.301 10 0 CEAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCN1CCC(O)CC1 ZINC000321268695 394547331 /nfs/dbraw/zinc/54/73/31/394547331.db2.gz ATEMLABHWVVXGT-PVAVHDDUSA-N 1 0 282.472 2.494 10 0 CEAERO Cc1nc(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1Br ZINC000261549617 394601625 /nfs/dbraw/zinc/60/16/25/394601625.db2.gz KRUUGHSKVLYIOS-NHCYSSNCSA-N 1 0 296.212 2.326 10 0 CEAERO Brc1cncc(NCC[C@H]2CC[NH2+]C2)c1 ZINC000261531596 394601717 /nfs/dbraw/zinc/60/17/17/394601717.db2.gz HGJYUVIWIMVDJJ-SECBINFHSA-N 1 0 270.174 2.256 10 0 CEAERO C[C@]1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)CCCS1 ZINC000261998560 394611713 /nfs/dbraw/zinc/61/17/13/394611713.db2.gz UIHRVWWVRBFZCH-APIJFGDWSA-N 1 0 284.469 2.019 10 0 CEAERO C[C@]1(CN2CCC(c3nccs3)CC2)CC[NH2+]C1 ZINC000262106162 394613347 /nfs/dbraw/zinc/61/33/47/394613347.db2.gz VYTVYQQMYXCKOI-AWEZNQCLSA-N 1 0 265.426 2.322 10 0 CEAERO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000262578101 394620324 /nfs/dbraw/zinc/62/03/24/394620324.db2.gz PJEJSJLQACQGLT-LOWDOPEQSA-N 1 0 270.417 2.070 10 0 CEAERO CC(C)[N@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000105918199 394722936 /nfs/dbraw/zinc/72/29/36/394722936.db2.gz JNPCMWORFJSYNE-CYBMUJFWSA-N 1 0 268.426 2.462 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)N2Cc3ccccc3C2)[C@@H](C)C1 ZINC000132348859 394929489 /nfs/dbraw/zinc/92/94/89/394929489.db2.gz URYRRRQKMMSWHJ-BBRMVZONSA-N 1 0 287.407 2.441 10 0 CEAERO c1cncc(O[C@H]2CC[N@@H+](Cc3ccncc3)C2)c1 ZINC000152347490 394994321 /nfs/dbraw/zinc/99/43/21/394994321.db2.gz NPLFTWUYEDWDQD-HNNXBMFYSA-N 1 0 255.321 2.130 10 0 CEAERO CCc1ccc(CCC(=O)N2CC[C@H]([NH3+])[C@H]2C)cc1 ZINC000423646887 394961910 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CC[C@H](C)[C@H](CN1C[C@H]2CCC[N@@H+]2C[C@H]1C)OC ZINC000381320200 395174104 /nfs/dbraw/zinc/17/41/04/395174104.db2.gz WDXRULFINSXNPS-YJNKXOJESA-N 1 0 254.418 2.216 10 0 CEAERO FC(F)(F)c1cccc(C[NH2+]C[C@H]2CC[NH2+]C2)c1 ZINC000398350896 395233768 /nfs/dbraw/zinc/23/37/68/395233768.db2.gz ZSWZEEMMVWKYIW-NSHDSACASA-N 1 0 258.287 2.405 10 0 CEAERO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CCc2ncnn2C1 ZINC000182594811 395244959 /nfs/dbraw/zinc/24/49/59/395244959.db2.gz AMMZLMYBALCDJX-BFHYXJOUSA-N 1 0 260.385 2.175 10 0 CEAERO CCOc1cccc(CNC(=O)[C@H]2CCC[NH2+][C@H]2C)c1 ZINC000384372755 395193004 /nfs/dbraw/zinc/19/30/04/395193004.db2.gz IWKRJBVXWQKMMH-WFASDCNBSA-N 1 0 276.380 2.090 10 0 CEAERO CC[C@@H]1CN(C(=O)[C@@H](C)OCc2ccccc2)CC[C@@H]1[NH3+] ZINC000404360236 395282330 /nfs/dbraw/zinc/28/23/30/395282330.db2.gz QDXQJNXDISYWGG-BMFZPTHFSA-N 1 0 290.407 2.178 10 0 CEAERO CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CCO[C@H](CN(C)C)C1 ZINC000186417125 395290682 /nfs/dbraw/zinc/29/06/82/395290682.db2.gz QRSGFNURBZLDDG-ARFHVFGLSA-N 1 0 266.429 2.241 10 0 CEAERO COc1c(C)cnc(C[N@H+](C)[C@H]2CCC[C@H]2O)c1C ZINC000352667473 395264323 /nfs/dbraw/zinc/26/43/23/395264323.db2.gz KOTKLQQPRPRGSH-UONOGXRCSA-N 1 0 264.369 2.052 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(C)cn1 ZINC000184253409 395270893 /nfs/dbraw/zinc/27/08/93/395270893.db2.gz MZUFDBGHBQDIOO-ZIAGYGMSSA-N 1 0 288.395 2.481 10 0 CEAERO CCc1nnc(C[NH2+][C@@H]2[C@@H](C)[C@H](OC)C2(CC)CC)n1C ZINC000191396015 395358620 /nfs/dbraw/zinc/35/86/20/395358620.db2.gz BCIPPJHODQOELT-DFBGVHRSSA-N 1 0 294.443 2.307 10 0 CEAERO CCOCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000192588069 395387878 /nfs/dbraw/zinc/38/78/78/395387878.db2.gz AMPQHLOZDJAMLU-NWDGAFQWSA-N 1 0 284.425 2.330 10 0 CEAERO COC(=O)[C@@H](NCc1cccc2nccn21)c1ccccc1 ZINC000189577072 395330046 /nfs/dbraw/zinc/33/00/46/395330046.db2.gz GFBIAFARUOWQLQ-INIZCTEOSA-N 1 0 295.342 2.338 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)CCOc1cccc(Cl)c1 ZINC000193580348 395412195 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CC(C)([NH3+])c1cn(CCCCC2CCOCC2)nn1 ZINC000388625947 400533045 /nfs/dbraw/zinc/53/30/45/400533045.db2.gz GWMCMAZUAONBMM-UHFFFAOYSA-N 1 0 266.389 2.069 10 0 CEAERO O[C@@H]1CCC[C@H](C[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000390814345 400542111 /nfs/dbraw/zinc/54/21/11/400542111.db2.gz GOYRIBZYKZDGRD-ZWKOTPCHSA-N 1 0 288.435 2.355 10 0 CEAERO Cc1ccc(NC(=O)c2ccc3c(c2)C[NH2+]C3)nc1 ZINC000130998831 292159892 /nfs/dbraw/zinc/15/98/92/292159892.db2.gz RKMFHEFFPLJMMY-UHFFFAOYSA-N 1 0 253.305 2.246 10 0 CEAERO CCOCC[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400455814 286098999 /nfs/dbraw/zinc/09/89/99/286098999.db2.gz PXLJKXGONHNNRR-OLZOCXBDSA-N 1 0 286.416 2.258 10 0 CEAERO COc1ccc(F)cc1[C@H](C)N[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400489611 286322528 /nfs/dbraw/zinc/32/25/28/286322528.db2.gz YTJLXDAORYWNIO-WOPDTQHZSA-N 1 0 266.360 2.483 10 0 CEAERO CCc1nccn1[C@H]1CCC[N@H+](CCOCC(F)F)C1 ZINC000189218265 153087347 /nfs/dbraw/zinc/08/73/47/153087347.db2.gz XUONCZIQADDXBY-LBPRGKRZSA-N 1 0 287.354 2.364 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc2ccccc2n1 ZINC000189309897 153090207 /nfs/dbraw/zinc/09/02/07/153090207.db2.gz DWGHGMLJSWCHRE-WCQYABFASA-N 1 0 269.348 2.105 10 0 CEAERO O[C@H](CC1CCCC1)C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000190737492 153143016 /nfs/dbraw/zinc/14/30/16/153143016.db2.gz TWAMATJFPLWZNB-WBVHZDCISA-N 1 0 290.407 2.476 10 0 CEAERO COc1ccc([C@H](C)C[NH2+]Cc2nc(N(C)C)no2)cc1 ZINC000190969575 153153453 /nfs/dbraw/zinc/15/34/53/153153453.db2.gz FXVXMKYORWTHEP-LLVKDONJSA-N 1 0 290.367 2.038 10 0 CEAERO CCc1nnc(CN(CC)Cc2ccccc2)n1C ZINC000195010581 153273546 /nfs/dbraw/zinc/27/35/46/153273546.db2.gz ZGSDFUNYVIIWTF-UHFFFAOYSA-N 1 0 258.369 2.400 10 0 CEAERO O=C(Cc1ccccc1F)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195095718 153275106 /nfs/dbraw/zinc/27/51/06/153275106.db2.gz WRSMTBIKJBJBIV-CQSZACIVSA-N 1 0 276.355 2.065 10 0 CEAERO Cc1cc2ccccc2n1CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195320819 153282498 /nfs/dbraw/zinc/28/24/98/153282498.db2.gz PCLKWHCKLBMFGL-MRXNPFEDSA-N 1 0 297.402 2.256 10 0 CEAERO O=C(NCc1ccccc1F)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195223491 153282672 /nfs/dbraw/zinc/28/26/72/153282672.db2.gz MYGLHVMZEMOCPV-AWEZNQCLSA-N 1 0 291.370 2.205 10 0 CEAERO O=C(COc1ccc(Cl)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195314942 153283398 /nfs/dbraw/zinc/28/33/98/153283398.db2.gz LRECNMHWTIWTOO-CYBMUJFWSA-N 1 0 294.782 2.025 10 0 CEAERO O=C(COc1ccccc1Cl)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195315248 153283475 /nfs/dbraw/zinc/28/34/75/153283475.db2.gz JAFRWOKOHDDUGY-GFCCVEGCSA-N 1 0 294.782 2.025 10 0 CEAERO O=C(c1ccc(C(F)(F)F)nc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195326723 153283968 /nfs/dbraw/zinc/28/39/68/153283968.db2.gz JGFVZMDQIIEHET-NSHDSACASA-N 1 0 299.296 2.021 10 0 CEAERO CSC[C@](C)(O)C[NH2+][C@H]1CCc2ccccc21 ZINC000223783537 153317692 /nfs/dbraw/zinc/31/76/92/153317692.db2.gz NHMYVMGZGMREBW-UONOGXRCSA-N 1 0 251.395 2.378 10 0 CEAERO CC(C)CCC[C@H](C)NC(=O)CN1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000226345453 153334688 /nfs/dbraw/zinc/33/46/88/153334688.db2.gz ANIYEORRULSJGQ-PMPSAXMXSA-N 1 0 297.487 2.377 10 0 CEAERO OCC[C@@H]1CC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000227573835 153345677 /nfs/dbraw/zinc/34/56/77/153345677.db2.gz KPTNUENQYFDCCV-ZDUSSCGKSA-N 1 0 256.349 2.439 10 0 CEAERO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ncc(C)o1 ZINC000227599883 153346833 /nfs/dbraw/zinc/34/68/33/153346833.db2.gz HSADSDHVRINEGB-UONOGXRCSA-N 1 0 263.385 2.432 10 0 CEAERO O[C@]12CCCC[C@@H]1C[N@H+](Cc1cncc(F)c1)CC2 ZINC000230955184 153402317 /nfs/dbraw/zinc/40/23/17/153402317.db2.gz WHBMSPXRXCZWTA-HIFRSBDPSA-N 1 0 264.344 2.348 10 0 CEAERO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC[C@@H](C)O1)c1ccco1 ZINC000246048844 153525753 /nfs/dbraw/zinc/52/57/53/153525753.db2.gz PUOTVOSICKBEGZ-NFAWXSAZSA-N 1 0 294.395 2.346 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C2CC2)C12CCOCC2 ZINC000186212515 286394307 /nfs/dbraw/zinc/39/43/07/286394307.db2.gz SQABDKABCYTPGW-FPMFFAJLSA-N 1 0 253.386 2.349 10 0 CEAERO Cc1cc(Cl)ccc1C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000261559268 153761854 /nfs/dbraw/zinc/76/18/54/153761854.db2.gz SZWHXNRNBGEDPC-SKDRFNHKSA-N 1 0 252.745 2.210 10 0 CEAERO C[C@]1(CNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CCCS1 ZINC000261570841 153763463 /nfs/dbraw/zinc/76/34/63/153763463.db2.gz KQDQTVZSIVOBSK-SGMGOOAPSA-N 1 0 270.442 2.296 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](OC)C2)C12CCOCC2 ZINC000248949850 286399217 /nfs/dbraw/zinc/39/92/17/286399217.db2.gz CVULTAMXTOIJIX-APIJFGDWSA-N 1 0 283.412 2.118 10 0 CEAERO CC(C)(C)c1ccnc(N2CC[C@@H]([NH3+])C(C)(C)C2)n1 ZINC000261588110 153783753 /nfs/dbraw/zinc/78/37/53/153783753.db2.gz JWSWJPINTLYVEK-LLVKDONJSA-N 1 0 262.401 2.338 10 0 CEAERO C[C@@H]1CCCC[C@@H]1OCC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261646868 153799326 /nfs/dbraw/zinc/79/93/26/153799326.db2.gz AESGUHDFGPONFX-HZSPNIEDSA-N 1 0 282.428 2.168 10 0 CEAERO CCC(C)(C)c1ccc(S(=O)(=O)NC[C@H](C)[NH2+]C)cc1 ZINC000261738504 153824569 /nfs/dbraw/zinc/82/45/69/153824569.db2.gz MGBWMDBKDHDAQX-LBPRGKRZSA-N 1 0 298.452 2.260 10 0 CEAERO CC(C)(C)c1cnc(CN2CCC[C@H]2C[NH3+])s1 ZINC000261774059 153836856 /nfs/dbraw/zinc/83/68/56/153836856.db2.gz DYLJRLWRACVOJC-JTQLQIEISA-N 1 0 253.415 2.364 10 0 CEAERO COC(=O)[C@H](CC1CCCCC1)NC[C@H]1CCC[NH2+]C1 ZINC000261819302 153848277 /nfs/dbraw/zinc/84/82/77/153848277.db2.gz IFZIXCCUSNWHBL-GJZGRUSLSA-N 1 0 282.428 2.088 10 0 CEAERO Cc1ccc(OC2CCN(C(=O)C[C@@H](C)[NH3+])CC2)cc1C ZINC000261912702 153873740 /nfs/dbraw/zinc/87/37/40/153873740.db2.gz WPHYDNJPPZRIPT-CQSZACIVSA-N 1 0 290.407 2.411 10 0 CEAERO CC1(C)CN(C(=O)CCOCc2ccccc2)CC[C@H]1[NH3+] ZINC000261984365 153890922 /nfs/dbraw/zinc/89/09/22/153890922.db2.gz MJKUVPZFKLZOPW-OAHLLOKOSA-N 1 0 290.407 2.179 10 0 CEAERO CCc1ccccc1OCC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262022393 153894170 /nfs/dbraw/zinc/89/41/70/153894170.db2.gz OWRGNBFMQVMAQX-OAHLLOKOSA-N 1 0 290.407 2.214 10 0 CEAERO C[NH2+][C@H]1CCCN(Cc2cnc3c(cnn3C(C)C)c2)C1 ZINC000262130472 153917830 /nfs/dbraw/zinc/91/78/30/153917830.db2.gz YCOUHYSKFKGMOO-HNNXBMFYSA-N 1 0 287.411 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170315497 /nfs/dbraw/zinc/31/54/97/170315497.db2.gz JMMCXOYSAPUOEH-LBPRGKRZSA-N 1 0 297.401 2.230 10 0 CEAERO [NH3+]CCCc1nnc(SCc2cccc(F)c2)o1 ZINC000008039364 170315583 /nfs/dbraw/zinc/31/55/83/170315583.db2.gz MJNWREWWRYCEOG-UHFFFAOYSA-N 1 0 267.329 2.392 10 0 CEAERO COc1cccc(CC[NH3+])c1Oc1nc(C)cc(C)n1 ZINC000011849432 170447099 /nfs/dbraw/zinc/44/70/99/170447099.db2.gz XRHDGDWLZONTNI-UHFFFAOYSA-N 1 0 273.336 2.396 10 0 CEAERO CC(C)(C)NC(=O)COc1ccc(C2=CC[NH2+]CC2)cc1 ZINC000019272353 170767571 /nfs/dbraw/zinc/76/75/71/170767571.db2.gz OWTDMNDDDDHXMY-UHFFFAOYSA-N 1 0 288.391 2.357 10 0 CEAERO COCCOC[C@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000019395862 170783150 /nfs/dbraw/zinc/78/31/50/170783150.db2.gz DYWWGBWTEREEJH-NSHDSACASA-N 1 0 263.259 2.368 10 0 CEAERO CCOCCO[C@H](C)[C@H]([NH3+])c1ccc(OC)cc1 ZINC000019403235 170785686 /nfs/dbraw/zinc/78/56/86/170785686.db2.gz GCKPUQSKFDHWDX-RISCZKNCSA-N 1 0 253.342 2.137 10 0 CEAERO CC(C)(C)OC(=O)N[C@H](C[NH3+])c1ccc(F)cc1 ZINC000019420697 170792173 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ZINC000020187949 171052581 /nfs/dbraw/zinc/05/25/81/171052581.db2.gz CUTVJLXESHOCAN-NSHDSACASA-N 1 0 270.398 2.127 10 0 CEAERO CC[NH+]1CCN(Cc2ccc(N)cc2Cl)CC1 ZINC000020192829 171058754 /nfs/dbraw/zinc/05/87/54/171058754.db2.gz IWFHKUAMDAWLNA-UHFFFAOYSA-N 1 0 253.777 2.060 10 0 CEAERO CC(C)OCCC[NH2+][C@H]1COc2cc(O)ccc21 ZINC000020198221 171061956 /nfs/dbraw/zinc/06/19/56/171061956.db2.gz MQDYOBZMPRFZHP-ZDUSSCGKSA-N 1 0 251.326 2.230 10 0 CEAERO C=COCCC[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000020197482 171062149 /nfs/dbraw/zinc/06/21/49/171062149.db2.gz LUKYQPWKKXNXGD-GFCCVEGCSA-N 1 0 283.393 2.291 10 0 CEAERO [NH3+]CCOCCOc1cccc(Cl)c1Cl ZINC000020221463 171083064 /nfs/dbraw/zinc/08/30/64/171083064.db2.gz YLCWRNBTRCGUGN-UHFFFAOYSA-N 1 0 250.125 2.348 10 0 CEAERO CCCN(C)[C@H](C[NH3+])c1ccc(OC)c(OC)c1 ZINC000020226353 171091546 /nfs/dbraw/zinc/09/15/46/171091546.db2.gz IXZMZHILVTUUMV-GFCCVEGCSA-N 1 0 252.358 2.045 10 0 CEAERO CCOc1ccc([C@H](C[NH3+])N2CCSCC2)cc1 ZINC000020257042 171111925 /nfs/dbraw/zinc/11/19/25/171111925.db2.gz JFMJRBHFDOCUAW-AWEZNQCLSA-N 1 0 266.410 2.134 10 0 CEAERO Cc1ccc(CN(C)C(=O)[C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000020264785 171122160 /nfs/dbraw/zinc/12/21/60/171122160.db2.gz CJSUVVSEQWYZNE-UKRRQHHQSA-N 1 0 260.381 2.342 10 0 CEAERO CN(Cc1cccc(F)c1)[C@@H](C[NH3+])c1cccnc1 ZINC000020266542 171123671 /nfs/dbraw/zinc/12/36/71/171123671.db2.gz TYAKHERTACACPQ-HNNXBMFYSA-N 1 0 259.328 2.353 10 0 CEAERO CN(Cc1cccc(F)c1)[C@H](C[NH3+])c1ccccn1 ZINC000020266509 171123683 /nfs/dbraw/zinc/12/36/83/171123683.db2.gz WVBHPSJTJNRXEK-OAHLLOKOSA-N 1 0 259.328 2.353 10 0 CEAERO CN1CC[NH2+]C[C@H]1c1ccc(Br)cc1 ZINC000020268362 171124421 /nfs/dbraw/zinc/12/44/21/171124421.db2.gz UFGAWLAIPNFFLI-NSHDSACASA-N 1 0 255.159 2.025 10 0 CEAERO CCN(CC)[C@H](C[NH2+][C@@H](C)C(=O)N(C)C)c1ccccc1 ZINC000020310089 171144207 /nfs/dbraw/zinc/14/42/07/171144207.db2.gz MIOGQSKCSIKGEG-GOEBONIOSA-N 1 0 291.439 2.136 10 0 CEAERO Nc1cc(Cl)ccc1N[C@H]1C[NH+]2CCC1CC2 ZINC000020383843 171174331 /nfs/dbraw/zinc/17/43/31/171174331.db2.gz GRYCEZVWCBPYIC-ZDUSSCGKSA-N 1 0 251.761 2.428 10 0 CEAERO CN(C)[C@H](C[NH3+])COc1cccc(C(C)(C)C)c1 ZINC000020400054 171181811 /nfs/dbraw/zinc/18/18/11/171181811.db2.gz ZGOUOCFMSZJABQ-CYBMUJFWSA-N 1 0 250.386 2.252 10 0 CEAERO C[C@@H]([NH3+])c1ccccc1O[C@@H](C)C(=O)NC(C)(C)C ZINC000020419500 171184239 /nfs/dbraw/zinc/18/42/39/171184239.db2.gz MGWLKKFNKHJKKF-MNOVXSKESA-N 1 0 264.369 2.388 10 0 CEAERO CCCCNC(=O)[C@H](C)Oc1ccccc1[C@@H](C)[NH3+] ZINC000020419433 171184516 /nfs/dbraw/zinc/18/45/16/171184516.db2.gz UBRXHDOVQAESCQ-NEPJUHHUSA-N 1 0 264.369 2.390 10 0 CEAERO CCCCNC(=O)[C@@H](C)Oc1ccc([C@@H](C)[NH3+])cc1OC ZINC000020419846 171185090 /nfs/dbraw/zinc/18/50/90/171185090.db2.gz NWMQSZUZQKYGHC-VXGBXAGGSA-N 1 0 294.395 2.399 10 0 CEAERO Cc1nn(C)c(OCc2ccccc2Cl)c1C[NH3+] ZINC000020469944 171211466 /nfs/dbraw/zinc/21/14/66/171211466.db2.gz NBAPUSZMZGUQGO-UHFFFAOYSA-N 1 0 265.744 2.420 10 0 CEAERO CC(C)[C@@H](C)NS(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000020523646 171236090 /nfs/dbraw/zinc/23/60/90/171236090.db2.gz UCQGWNPZTJBBQU-GHMZBOCLSA-N 1 0 270.398 2.029 10 0 CEAERO O=C(NCc1ccccc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000020563987 171252819 /nfs/dbraw/zinc/25/28/19/171252819.db2.gz ZCDSMRXWNBVFTJ-HNNXBMFYSA-N 1 0 273.380 2.066 10 0 CEAERO COC(=O)C[C@H]([NH3+])c1ccccc1OC(F)(F)F ZINC000020577531 171256208 /nfs/dbraw/zinc/25/62/08/171256208.db2.gz AAEFXYVEHLWMPP-QMMMGPOBSA-N 1 0 263.215 2.148 10 0 CEAERO CCCC[NH2+]Cc1cc(Cl)ccc1OCC(N)=O ZINC000020873307 171277464 /nfs/dbraw/zinc/27/74/64/171277464.db2.gz NLFNSBXYJFNXMD-UHFFFAOYSA-N 1 0 270.760 2.094 10 0 CEAERO C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1[nH]nc3ccccc31)C2 ZINC000022056284 171350943 /nfs/dbraw/zinc/35/09/43/171350943.db2.gz GHVQAOGYNZNTIA-YHWZYXNKSA-N 1 0 298.390 2.308 10 0 CEAERO Cc1cccc(S(=O)(=O)Nc2ccccc2C[NH3+])c1 ZINC000022142631 171355306 /nfs/dbraw/zinc/35/53/06/171355306.db2.gz ZATRIDAFRBWNES-UHFFFAOYSA-N 1 0 276.361 2.255 10 0 CEAERO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](C)C2)c(N)c1 ZINC000022151443 171358699 /nfs/dbraw/zinc/35/86/99/171358699.db2.gz VMLVTILQDOPPGQ-LBPRGKRZSA-N 1 0 291.395 2.338 10 0 CEAERO Nc1ccc(Cl)cc1NC(=O)CC[NH+]1CCCC1 ZINC000022152129 171359147 /nfs/dbraw/zinc/35/91/47/171359147.db2.gz HMLUNJSCWUWESD-UHFFFAOYSA-N 1 0 267.760 2.347 10 0 CEAERO CC1CC[NH+](CCC(=O)Nc2ccccc2N)CC1 ZINC000022152345 171359823 /nfs/dbraw/zinc/35/98/23/171359823.db2.gz CTQUBDOICKTXGG-UHFFFAOYSA-N 1 0 261.369 2.329 10 0 CEAERO Cc1c(N)cccc1NC(=O)CC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000022152994 171360173 /nfs/dbraw/zinc/36/01/73/171360173.db2.gz KDZOOYBABWZNDZ-VXGBXAGGSA-N 1 0 291.395 2.015 10 0 CEAERO COc1cc(N)ccc1NC(=O)CC[N@@H+]1CCC[C@H](C)C1 ZINC000022153530 171360514 /nfs/dbraw/zinc/36/05/14/171360514.db2.gz DSBPHWGFZAJCPY-LBPRGKRZSA-N 1 0 291.395 2.338 10 0 CEAERO COc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2C)c(N)c1 ZINC000022155197 171361788 /nfs/dbraw/zinc/36/17/88/171361788.db2.gz CUTHDDZVVSXNSH-LBPRGKRZSA-N 1 0 291.395 2.480 10 0 CEAERO CCCCS(=O)(=O)Nc1cccc([C@H](C)[NH3+])c1 ZINC000022169573 171367329 /nfs/dbraw/zinc/36/73/29/171367329.db2.gz GVMBHAXNIQDFFS-JTQLQIEISA-N 1 0 256.371 2.248 10 0 CEAERO CC[C@H]([NH3+])c1ccc(OCC(=O)NC(C)(C)C)cc1 ZINC000022171797 171368321 /nfs/dbraw/zinc/36/83/21/171368321.db2.gz JVZLALVYCZHSHH-ZDUSSCGKSA-N 1 0 264.369 2.390 10 0 CEAERO CCOc1cc([C@@H](C[NH3+])N(C)C)ccc1OC(F)F ZINC000022177380 171371309 /nfs/dbraw/zinc/37/13/09/171371309.db2.gz CZXOYEWFTAGHQX-SNVBAGLBSA-N 1 0 274.311 2.248 10 0 CEAERO Cc1c(N)cccc1NC(=O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022220610 171377814 /nfs/dbraw/zinc/37/78/14/171377814.db2.gz RUGIDMNYTUUAJJ-TXEJJXNPSA-N 1 0 275.396 2.494 10 0 CEAERO Cc1cccc(NS(=O)(=O)c2ccccc2C[NH3+])c1 ZINC000022223525 171379790 /nfs/dbraw/zinc/37/97/90/171379790.db2.gz SGJSRYZJRHBPDF-UHFFFAOYSA-N 1 0 276.361 2.255 10 0 CEAERO CC(C)Oc1ccc([C@@H]([NH3+])CN2CCO[C@@H](C)C2)cc1 ZINC000022565098 171392116 /nfs/dbraw/zinc/39/21/16/171392116.db2.gz MJRJAMCBJJOHNL-BBRMVZONSA-N 1 0 278.396 2.194 10 0 CEAERO CC(C)[NH2+]C[C@@H](O)COc1c(O)ccc2ccccc21 ZINC000026840929 171500926 /nfs/dbraw/zinc/50/09/26/171500926.db2.gz HPONWSWGUSLIJB-CYBMUJFWSA-N 1 0 275.348 2.283 10 0 CEAERO COc1ccc(OC)c([C@@H](O)C[NH2+]C(C)(C)C)c1 ZINC000032108028 171699542 /nfs/dbraw/zinc/69/95/42/171699542.db2.gz LKTHGCTVLSMQQP-LBPRGKRZSA-N 1 0 253.342 2.125 10 0 CEAERO C[NH2+]Cc1ccccc1Oc1ccccc1C(N)=O ZINC000034832243 171880683 /nfs/dbraw/zinc/88/06/83/171880683.db2.gz BOFHKHZZXMVKMK-UHFFFAOYSA-N 1 0 256.305 2.297 10 0 CEAERO CC[NH2+]C[C@H](O)COc1ccc(C(C)C)c(C)c1 ZINC000034978653 171911570 /nfs/dbraw/zinc/91/15/70/171911570.db2.gz QMKKFNJXHHUOPQ-ZDUSSCGKSA-N 1 0 251.370 2.468 10 0 CEAERO C[C@]1([NH2+]Cc2ccc(Cl)cc2)CCS(=O)(=O)C1 ZINC000035223093 172066867 /nfs/dbraw/zinc/06/68/67/172066867.db2.gz COVOTMNBTHSOOP-LBPRGKRZSA-N 1 0 273.785 2.007 10 0 CEAERO CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000035223332 172067651 /nfs/dbraw/zinc/06/76/51/172067651.db2.gz HNHQHSGKXAHTKQ-CZUORRHYSA-N 1 0 274.408 2.390 10 0 CEAERO C[C@H](NC(=O)[C@H]1CCC[NH2+]1)c1ccc(Cl)s1 ZINC000035252043 172082282 /nfs/dbraw/zinc/08/22/82/172082282.db2.gz XWEKJACKZWJAAS-JGVFFNPUSA-N 1 0 258.774 2.331 10 0 CEAERO Cc1ccc([C@@H]([NH3+])c2ccc3c(c2)CC(=O)N3C)o1 ZINC000035381353 172163528 /nfs/dbraw/zinc/16/35/28/172163528.db2.gz DEVVLNILRBYHLY-HNNXBMFYSA-N 1 0 256.305 2.155 10 0 CEAERO Cn1cc([C@@H]([NH3+])c2ccc(Br)s2)cn1 ZINC000035381558 172164792 /nfs/dbraw/zinc/16/47/92/172164792.db2.gz WCZGBYITWLKNDD-SECBINFHSA-N 1 0 272.171 2.292 10 0 CEAERO C[C@@H]([NH3+])c1ccc2ccccc2c1O[C@@H](C)C(N)=O ZINC000035427255 172194843 /nfs/dbraw/zinc/19/48/43/172194843.db2.gz PQENBEDAGNGBHA-ZJUUUORDSA-N 1 0 258.321 2.112 10 0 CEAERO C[C@H]1C[C@H](C)CN(c2nc3sccn3c2C[NH3+])C1 ZINC000035429885 172198177 /nfs/dbraw/zinc/19/81/77/172198177.db2.gz MOFCYBDYLVKAFD-UWVGGRQHSA-N 1 0 264.398 2.337 10 0 CEAERO [NH3+]Cc1c(-n2cnc3ccccc32)nc2sccn12 ZINC000035430413 172199198 /nfs/dbraw/zinc/19/91/98/172199198.db2.gz RQFANTYZCKVNFO-UHFFFAOYSA-N 1 0 269.333 2.193 10 0 CEAERO Cc1ccc(O[C@@H]2CCCCNC2=O)c([C@@H](C)[NH3+])c1 ZINC000035629396 172309554 /nfs/dbraw/zinc/30/95/54/172309554.db2.gz OXIZHDAAMFMYSW-BXUZGUMPSA-N 1 0 262.353 2.062 10 0 CEAERO C[C@@H](O)c1cc(F)ccc1N1CCC[N@H+](C)CC1 ZINC000035631489 172313754 /nfs/dbraw/zinc/31/37/54/172313754.db2.gz KEAHYIFFVMQNIW-LLVKDONJSA-N 1 0 252.333 2.021 10 0 CEAERO CCCNC(=O)COc1c(Cl)cc(Cl)cc1C[NH3+] ZINC000035661819 172339449 /nfs/dbraw/zinc/33/94/49/172339449.db2.gz OJKDSEILOHZXHS-UHFFFAOYSA-N 1 0 291.178 2.357 10 0 CEAERO CCCCC[NH2+][C@@H]1CS(=O)(=O)c2ccccc21 ZINC000035688059 172356509 /nfs/dbraw/zinc/35/65/09/172356509.db2.gz BOZQLBGTWCIYMS-GFCCVEGCSA-N 1 0 253.367 2.295 10 0 CEAERO COC(=O)C[C@@H](C)[NH2+]CCCN(C)c1ccccc1 ZINC000035747915 172396020 /nfs/dbraw/zinc/39/60/20/172396020.db2.gz VZZJAODEVNJHLG-CYBMUJFWSA-N 1 0 264.369 2.054 10 0 CEAERO C[C@H]1C[C@@H]([NH2+]C2CC2)c2ccccc2S1(=O)=O ZINC000035760597 172398828 /nfs/dbraw/zinc/39/88/28/172398828.db2.gz SZGOOMLXUMKWPP-JOYOIKCWSA-N 1 0 251.351 2.046 10 0 CEAERO O[C@@]1(c2cn[nH]n2)CC[N@H+](Cc2cccc3ccccc32)C1 ZINC000285485985 196299906 /nfs/dbraw/zinc/29/99/06/196299906.db2.gz LYXYUVIBCYRYJJ-KRWDZBQOSA-N 1 0 294.358 2.051 10 0 CEAERO [NH3+]CCSCc1noc(-c2ccc(F)cc2)n1 ZINC000037035543 172903562 /nfs/dbraw/zinc/90/35/62/172903562.db2.gz FVCGXKKZSXFFJW-UHFFFAOYSA-N 1 0 253.302 2.068 10 0 CEAERO CN(C)CC[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000037184128 173016380 /nfs/dbraw/zinc/01/63/80/173016380.db2.gz YHENGIPIHDXORF-LBPRGKRZSA-N 1 0 299.212 2.424 10 0 CEAERO C[C@@H](C[NH2+]CCc1ccc(Cl)cc1Cl)C(N)=O ZINC000037227271 173046981 /nfs/dbraw/zinc/04/69/81/173046981.db2.gz YHIIBIPXFCMMNA-QMMMGPOBSA-N 1 0 275.179 2.247 10 0 CEAERO CC[NH2+][C@H](CC)c1ccccc1OC[C@H](C)C(N)=O ZINC000037226898 173047397 /nfs/dbraw/zinc/04/73/97/173047397.db2.gz GXKCLQHXSILEPT-WCQYABFASA-N 1 0 264.369 2.247 10 0 CEAERO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@@H](C)C(N)=O ZINC000037261530 173071386 /nfs/dbraw/zinc/07/13/86/173071386.db2.gz CAUSTAVRHGRZLE-APPZFPTMSA-N 1 0 269.414 2.273 10 0 CEAERO COc1ccc(N(CCC[NH3+])C(=O)[C@H]2C[C@H]2C)cc1 ZINC000037298097 173101989 /nfs/dbraw/zinc/10/19/89/173101989.db2.gz RKAIXUORISVFPU-RISCZKNCSA-N 1 0 262.353 2.033 10 0 CEAERO [NH3+][C@H](Cc1nnc2n1CCCCC2)c1ccccc1 ZINC000037323794 173124004 /nfs/dbraw/zinc/12/40/04/173124004.db2.gz NWELYXHJLDKDRM-CYBMUJFWSA-N 1 0 256.353 2.247 10 0 CEAERO Nc1ccnn1[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000037325896 173126760 /nfs/dbraw/zinc/12/67/60/173126760.db2.gz OMEWSVXIFYTGBL-AWEZNQCLSA-N 1 0 256.353 2.302 10 0 CEAERO [NH3+][C@@H](C(=O)Nc1ccc2n[nH]cc2c1)c1ccccc1 ZINC000037413798 173190553 /nfs/dbraw/zinc/19/05/53/173190553.db2.gz BHYIWEDYRVIKRP-CQSZACIVSA-N 1 0 266.304 2.201 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](c2nc3cc(Cl)ccc3n2C)C1 ZINC000037440322 173210332 /nfs/dbraw/zinc/21/03/32/173210332.db2.gz BNIWGQPZZFRNTG-MWLCHTKSSA-N 1 0 265.744 2.276 10 0 CEAERO CCn1c2ccc(Cl)cc2nc1[C@@H]([NH3+])[C@H](C)O ZINC000037440423 173210457 /nfs/dbraw/zinc/21/04/57/173210457.db2.gz UAPLLFLHTXDLCX-CPCISQLKSA-N 1 0 253.733 2.090 10 0 CEAERO CCn1c2ccc(Br)cc2nc1[C@H]([NH3+])[C@@H](C)O ZINC000037441511 173211630 /nfs/dbraw/zinc/21/16/30/173211630.db2.gz QLXMFGMLERPLPL-RDDDGLTNSA-N 1 0 298.184 2.199 10 0 CEAERO CCCOc1ccc([C@](C)([NH2+]C(C)C)C(N)=O)cc1 ZINC000037446510 173213265 /nfs/dbraw/zinc/21/32/65/173213265.db2.gz JUFLCSMZZQIUFS-HNNXBMFYSA-N 1 0 264.369 2.174 10 0 CEAERO [NH3+][C@@H](Cc1ccccc1Br)c1ncccn1 ZINC000037467214 173226930 /nfs/dbraw/zinc/22/69/30/173226930.db2.gz LNWHOVCJQMBDIO-NSHDSACASA-N 1 0 278.153 2.482 10 0 CEAERO CCC[NH2+][C@@](C)(C(N)=O)c1ccc(OCCC)cc1 ZINC000037513832 173244953 /nfs/dbraw/zinc/24/49/53/173244953.db2.gz AZSGQQADNZQHRW-OAHLLOKOSA-N 1 0 264.369 2.176 10 0 CEAERO CCN(C(=O)c1ccccc1F)[C@@H]1CCC[NH2+]C1 ZINC000037541230 173263287 /nfs/dbraw/zinc/26/32/87/173263287.db2.gz BIYAUTBJDOYTHX-LLVKDONJSA-N 1 0 250.317 2.040 10 0 CEAERO CCCN(C(=O)c1occc1C)[C@@H]1CCC[NH2+]C1 ZINC000037541600 173263914 /nfs/dbraw/zinc/26/39/14/173263914.db2.gz MRVFXWDTYPBBGU-GFCCVEGCSA-N 1 0 250.342 2.192 10 0 CEAERO O=C(NCC[C@@H]1CCC[NH2+]C1)Nc1ccc(F)cc1F ZINC000037717410 173636261 /nfs/dbraw/zinc/63/62/61/173636261.db2.gz BSAABVFWNLWUQT-JTQLQIEISA-N 1 0 283.322 2.476 10 0 CEAERO COc1ccc(CC[NH3+])cc1OCc1ccccn1 ZINC000037721733 173639831 /nfs/dbraw/zinc/63/98/31/173639831.db2.gz DYJMFMXLYZHWGP-UHFFFAOYSA-N 1 0 258.321 2.170 10 0 CEAERO CCCn1cc(NC2CC[NH+](CC)CC2)ccc1=O ZINC000037774613 173706942 /nfs/dbraw/zinc/70/69/42/173706942.db2.gz ZIVBMIDPFNBFFX-UHFFFAOYSA-N 1 0 263.385 2.155 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)N(C)[C@H](C)c1ccccc1OC ZINC000037808326 173751718 /nfs/dbraw/zinc/75/17/18/173751718.db2.gz IQWXDBYMVOUAQT-DGCLKSJQSA-N 1 0 264.369 2.342 10 0 CEAERO COC(=O)C[C@H](C)[NH2+]CCSc1ccccc1 ZINC000037904310 173836238 /nfs/dbraw/zinc/83/62/38/173836238.db2.gz MQGPWNQCAYDGNE-NSHDSACASA-N 1 0 253.367 2.320 10 0 CEAERO C[C@H](CN[C@H](C)c1cc[nH]n1)C[NH+]1CCCCC1 ZINC000038041606 174043673 /nfs/dbraw/zinc/04/36/73/174043673.db2.gz NUCOFZMDKUDUMJ-CHWSQXEVSA-N 1 0 250.390 2.182 10 0 CEAERO CCCCC[NH+]1CCC([N@@H+]2CCC[C@H]2C(=O)[O-])CC1 ZINC000038042695 174046188 /nfs/dbraw/zinc/04/61/88/174046188.db2.gz ONVHJXBQRBVZOQ-AWEZNQCLSA-N 1 0 268.401 2.190 10 0 CEAERO O[C@H](C[NH2+]C[C@@H]1CCCOC1)COc1ccc(Cl)cc1 ZINC000038045356 174053748 /nfs/dbraw/zinc/05/37/48/174053748.db2.gz VVGJQHRIQKTBLE-GXTWGEPZSA-N 1 0 299.798 2.096 10 0 CEAERO COc1cc(C(=O)N[C@H]2CCCC[C@@H]2[NH3+])ccc1C ZINC000038049419 174060558 /nfs/dbraw/zinc/06/05/58/174060558.db2.gz AFAJVUOGONEBAP-STQMWFEESA-N 1 0 262.353 2.003 10 0 CEAERO COc1ccc(NC(=O)N[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000038049868 174061270 /nfs/dbraw/zinc/06/12/70/174061270.db2.gz FBXUVNIDOAZLJW-STQMWFEESA-N 1 0 263.341 2.087 10 0 CEAERO CCOc1ccc([C@](C)([NH2+][C@@H](C)CC)C(N)=O)cc1 ZINC000038065533 174076189 /nfs/dbraw/zinc/07/61/89/174076189.db2.gz WQURQEBPGUJGLL-NHYWBVRUSA-N 1 0 264.369 2.174 10 0 CEAERO CC[C@H](C)[NH2+][C@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000038065673 174077013 /nfs/dbraw/zinc/07/70/13/174077013.db2.gz VHFZWFXJVZSBQP-ZANVPECISA-N 1 0 254.761 2.429 10 0 CEAERO COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](C)N(C)C)CCO2 ZINC000038087431 174099249 /nfs/dbraw/zinc/09/92/49/174099249.db2.gz FZHITJRFCFOYQA-FZMZJTMJSA-N 1 0 264.369 2.059 10 0 CEAERO C[C@@H](CN[C@@H](c1cccs1)c1nccn1C)[NH+](C)C ZINC000038087559 174099736 /nfs/dbraw/zinc/09/97/36/174099736.db2.gz YNFYFWSBPMHXCD-AAEUAGOBSA-N 1 0 278.425 2.111 10 0 CEAERO CC(C)CCC[NH2+][C@@H]1CC(=O)N(C2CCCC2)C1=O ZINC000038093758 174107602 /nfs/dbraw/zinc/10/76/02/174107602.db2.gz CASYBVIETCMLSI-CYBMUJFWSA-N 1 0 266.385 2.082 10 0 CEAERO COc1ccc([C@H](CO)[NH2+]C2CC2)cc1Br ZINC000038124411 174131001 /nfs/dbraw/zinc/13/10/01/174131001.db2.gz AULBMAZACCXVAY-NSHDSACASA-N 1 0 286.169 2.243 10 0 CEAERO CCCC[C@@H]1C[NH2+]CCN1Cc1cccc(C(=O)OC)c1 ZINC000039952582 174177993 /nfs/dbraw/zinc/17/79/93/174177993.db2.gz GZABBNMJYSTIFF-MRXNPFEDSA-N 1 0 290.407 2.437 10 0 CEAERO CC(C)[C@@H](C[NH2+]Cc1ccccc1)N1CCOCC1 ZINC000040165713 174197528 /nfs/dbraw/zinc/19/75/28/174197528.db2.gz XZTXZGHNGRTQSZ-MRXNPFEDSA-N 1 0 262.397 2.133 10 0 CEAERO C[NH2+]Cc1nc2cc(Cl)ccc2n1CCCOC ZINC000040402973 174253740 /nfs/dbraw/zinc/25/37/40/174253740.db2.gz DWSVYMCMOWHCPM-UHFFFAOYSA-N 1 0 267.760 2.446 10 0 CEAERO C[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)c1ccccc1F ZINC000040464179 174273202 /nfs/dbraw/zinc/27/32/02/174273202.db2.gz KCRBZPZSVWVYPY-JOYOIKCWSA-N 1 0 252.333 2.376 10 0 CEAERO COC(=O)[C@H](C)C[NH2+][C@@H](C)COc1ccc(C)cc1 ZINC000040499745 174296332 /nfs/dbraw/zinc/29/63/32/174296332.db2.gz BQKPEKILXFCEDV-OLZOCXBDSA-N 1 0 265.353 2.161 10 0 CEAERO CCN1CCC[C@@H]([NH2+]Cc2ccc(C(=O)OC)cc2)C1 ZINC000040502248 174299117 /nfs/dbraw/zinc/29/91/17/174299117.db2.gz XKVTUMGVZFTZML-OAHLLOKOSA-N 1 0 276.380 2.047 10 0 CEAERO CCCCOCC[NH2+]Cc1c(OC)nc2sccn12 ZINC000040506873 174302047 /nfs/dbraw/zinc/30/20/47/174302047.db2.gz DRFHGNOIDQTHCK-UHFFFAOYSA-N 1 0 283.397 2.311 10 0 CEAERO CCCCOCC[NH2+]C[C@@H](O)CO[C@@H](C)CC(C)C ZINC000040507172 174303205 /nfs/dbraw/zinc/30/32/05/174303205.db2.gz FLHIGXFEWXZXNW-LSDHHAIUSA-N 1 0 275.433 2.205 10 0 CEAERO Cc1cc(C)c(C(N)=[NH2+])c(OCCOc2ccccc2)n1 ZINC000040515203 174306508 /nfs/dbraw/zinc/30/65/08/174306508.db2.gz OEOQVDHLDICLBP-UHFFFAOYSA-N 1 0 285.347 2.440 10 0 CEAERO Cc1nc(C)c([C@H](C)NC(=O)C2([NH3+])CCCC2)s1 ZINC000040519123 174308557 /nfs/dbraw/zinc/30/85/57/174308557.db2.gz VMYFNVKBXALUIB-VIFPVBQESA-N 1 0 267.398 2.209 10 0 CEAERO CC[NH+](CC)[C@@H](CNC(=O)OC)c1ccc(OC)cc1 ZINC000040614925 174353487 /nfs/dbraw/zinc/35/34/87/174353487.db2.gz HYNBRAPKDMCOKB-AWEZNQCLSA-N 1 0 280.368 2.434 10 0 CEAERO CC(C)(CNC(=O)CCOc1ccccc1)[NH+]1CCCC1 ZINC000040616101 174354302 /nfs/dbraw/zinc/35/43/02/174354302.db2.gz OYKNVZDVYOHEMB-UHFFFAOYSA-N 1 0 290.407 2.446 10 0 CEAERO CC(C)NC(=O)[C@@H](C)[NH2+]Cc1cc2c(s1)CCC2 ZINC000040627238 174356775 /nfs/dbraw/zinc/35/67/75/174356775.db2.gz JXQQPAUJTAAMHA-SNVBAGLBSA-N 1 0 266.410 2.240 10 0 CEAERO CO[C@H]1C[NH2+][C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000040630218 174357871 /nfs/dbraw/zinc/35/78/71/174357871.db2.gz PCJBEQJGCICIBL-MNOVXSKESA-N 1 0 289.162 2.309 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](c2nc(-c3ccc(C)s3)c[nH]2)C1 ZINC000040637791 174361645 /nfs/dbraw/zinc/36/16/45/174361645.db2.gz GAISLGUOGJXHNQ-UWVGGRQHSA-N 1 0 263.366 2.496 10 0 CEAERO CO[C@@H]1C[NH2+][C@@H](c2nc(-c3cc(C)oc3C)c[nH]2)C1 ZINC000040637752 174362124 /nfs/dbraw/zinc/36/21/24/174362124.db2.gz OSLFCXGPCYYEFM-CMPLNLGQSA-N 1 0 261.325 2.336 10 0 CEAERO COC(=O)CC[NH2+]Cc1cccc(OC(C)C)c1 ZINC000040640221 174363793 /nfs/dbraw/zinc/36/37/93/174363793.db2.gz FCAJASRKQNNREQ-UHFFFAOYSA-N 1 0 251.326 2.127 10 0 CEAERO C[C@H]1CCC[C@](CNCC(=O)N2CCCCC2)([NH+](C)C)C1 ZINC000040669797 174368510 /nfs/dbraw/zinc/36/85/10/174368510.db2.gz JLUXIERYASYVBN-RDJZCZTQSA-N 1 0 295.471 2.099 10 0 CEAERO CCOC1CCN([C@H](C[NH3+])c2cc(F)ccc2F)CC1 ZINC000040678573 174374605 /nfs/dbraw/zinc/37/46/05/174374605.db2.gz BFNIESIMAVRXTA-OAHLLOKOSA-N 1 0 284.350 2.466 10 0 CEAERO CCOC1CCN([C@H](C[NH3+])c2ccc(F)c(F)c2)CC1 ZINC000040689110 174375932 /nfs/dbraw/zinc/37/59/32/174375932.db2.gz GAYXCGRGZCZRNP-OAHLLOKOSA-N 1 0 284.350 2.466 10 0 CEAERO CCOC1CCN(C[C@@H]([NH3+])c2ccc(OC)cc2)CC1 ZINC000040689275 174376375 /nfs/dbraw/zinc/37/63/75/174376375.db2.gz RRXADBPGZYYKDZ-MRXNPFEDSA-N 1 0 278.396 2.196 10 0 CEAERO CCOC1CCN(C[C@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000040690175 174376894 /nfs/dbraw/zinc/37/68/94/174376894.db2.gz ZCDINIOIMDPGKO-LZWOXQAQSA-N 1 0 266.429 2.408 10 0 CEAERO Cc1ccc(Cl)cc1Nc1nc[nH+]c(NN)c1N ZINC000040704965 174379642 /nfs/dbraw/zinc/37/96/42/174379642.db2.gz NLARSFPIPCPBMX-UHFFFAOYSA-N 1 0 264.720 2.050 10 0 CEAERO Cc1cc(C)c(C[NH3+])c(Oc2ccc(CO)cc2)n1 ZINC000040710836 174381229 /nfs/dbraw/zinc/38/12/29/174381229.db2.gz TVEWPCBNNZJDDJ-UHFFFAOYSA-N 1 0 258.321 2.442 10 0 CEAERO NC(=[NH2+])c1ccc(COc2ccc(CO)cc2)cc1 ZINC000040711128 174381357 /nfs/dbraw/zinc/38/13/57/174381357.db2.gz DQBCFMAFOGWONA-UHFFFAOYSA-N 1 0 256.305 2.042 10 0 CEAERO C[N@@H+]1CCC[C@@H](Nc2ccc(N)c3cnccc23)C1 ZINC000040715775 174382624 /nfs/dbraw/zinc/38/26/24/174382624.db2.gz DEGPAPMAOCBLBA-LLVKDONJSA-N 1 0 256.353 2.323 10 0 CEAERO COc1cc(N)ccc1NC(=O)CCC[N@@H+]1CC[C@@H](C)C1 ZINC000040716882 174384552 /nfs/dbraw/zinc/38/45/52/174384552.db2.gz VWOTVVNSMZDVTP-GFCCVEGCSA-N 1 0 291.395 2.338 10 0 CEAERO COc1ccc(N(CCC[NH3+])c2cc(C)ncn2)cc1 ZINC000040726846 174387277 /nfs/dbraw/zinc/38/72/77/174387277.db2.gz NVSOFGFXXPAAOI-UHFFFAOYSA-N 1 0 272.352 2.281 10 0 CEAERO Cc1cc(=O)n(C[C@H]([NH3+])c2ccc(CC(C)C)cc2)cn1 ZINC000040728161 174387789 /nfs/dbraw/zinc/38/77/89/174387789.db2.gz NVMFBTPTGIWYFI-INIZCTEOSA-N 1 0 285.391 2.450 10 0 CEAERO CCN(C(=O)c1c(C)noc1C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747685 174392698 /nfs/dbraw/zinc/39/26/98/174392698.db2.gz UIYJKCDCFJSEPW-FUNVUKJBSA-N 1 0 277.368 2.037 10 0 CEAERO CCN(Cc1ccc(C(=O)OC)o1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748289 174393059 /nfs/dbraw/zinc/39/30/59/174393059.db2.gz KVLHJDZMPGGTRG-FUNVUKJBSA-N 1 0 292.379 2.171 10 0 CEAERO CCCN(C(=O)CCSC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747863 174393126 /nfs/dbraw/zinc/39/31/26/174393126.db2.gz WPJJDXXZUFHKCQ-FUNVUKJBSA-N 1 0 270.442 2.261 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)COc1ccc(Cl)cc1 ZINC000040749754 174394466 /nfs/dbraw/zinc/39/44/66/174394466.db2.gz KRWJUMOBYOVSOY-YHWZYXNKSA-N 1 0 294.782 2.200 10 0 CEAERO C[C@H](NC(=O)[C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000040804164 174409332 /nfs/dbraw/zinc/40/93/32/174409332.db2.gz XIOWZMICPBCJBU-JQWIXIFHSA-N 1 0 250.317 2.003 10 0 CEAERO CCOC(=O)c1ccsc1NC(=O)CCCCC[NH3+] ZINC000040851769 174420870 /nfs/dbraw/zinc/42/08/70/174420870.db2.gz XTDHCIOZWODTJG-UHFFFAOYSA-N 1 0 284.381 2.382 10 0 CEAERO Cc1cc(C)c(CO)c(N(C)[C@@H]2CCSC2)[nH+]1 ZINC000040877580 174427368 /nfs/dbraw/zinc/42/73/68/174427368.db2.gz AYXOBHYLJQHQKU-LLVKDONJSA-N 1 0 252.383 2.132 10 0 CEAERO [NH3+][C@H]1CCCN(C(=O)CCCc2c[nH]c3ccccc23)C1 ZINC000041028603 174453369 /nfs/dbraw/zinc/45/33/69/174453369.db2.gz XXFCYFQVPVETGF-AWEZNQCLSA-N 1 0 285.391 2.440 10 0 CEAERO CCc1csc(NCc2ccccc2C[NH2+]C)n1 ZINC000404641679 414789000 /nfs/dbraw/zinc/78/90/00/414789000.db2.gz MBOAGRQBNRMEFZ-UHFFFAOYSA-N 1 0 261.394 2.459 10 0 CEAERO COc1ccc([C@H](C)NC(=O)CCC(C)(C)[NH3+])cc1OC ZINC000070088008 414766291 /nfs/dbraw/zinc/76/62/91/414766291.db2.gz NMRUJLAUSAQRSR-NSHDSACASA-N 1 0 294.395 2.399 10 0 CEAERO [NH3+]CCCCC(=O)NC1CCC(C(F)(F)F)CC1 ZINC000070202173 414770078 /nfs/dbraw/zinc/77/00/78/414770078.db2.gz ZTZDNWPJQOYJHG-UHFFFAOYSA-N 1 0 266.307 2.353 10 0 CEAERO Fc1cccc(Cl)c1CN1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404276188 414779275 /nfs/dbraw/zinc/77/92/75/414779275.db2.gz RYNSSRZULIIXLR-KGLIPLIRSA-N 1 0 284.762 2.042 10 0 CEAERO COc1ccc(Cl)cc1C[C@H](O)[C@H]1CCC[NH2+]1 ZINC000041326037 174522198 /nfs/dbraw/zinc/52/21/98/174522198.db2.gz WUEFQDGJUPFOLY-NEPJUHHUSA-N 1 0 255.745 2.004 10 0 CEAERO CC[C@@H]1CN(c2ncnc3ccsc32)CC[C@@H]1[NH3+] ZINC000122974608 414791714 /nfs/dbraw/zinc/79/17/14/414791714.db2.gz JIFGJUYWUXEQTQ-ZJUUUORDSA-N 1 0 262.382 2.255 10 0 CEAERO O=C(Cc1ccc(Br)cc1)[C@H]1CCC[NH2+]1 ZINC000041387064 174542666 /nfs/dbraw/zinc/54/26/66/174542666.db2.gz MONMLUDECPHWOK-LLVKDONJSA-N 1 0 268.154 2.313 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)C1CCCC1 ZINC000407411742 414800164 /nfs/dbraw/zinc/80/01/64/414800164.db2.gz WDNSFVBBTQKTKE-BPNCWPANSA-N 1 0 250.386 2.212 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1)c1cccs1 ZINC000407453093 414801500 /nfs/dbraw/zinc/80/15/00/414801500.db2.gz MLSSXIYVEPQECU-WCQGTBRESA-N 1 0 264.394 2.456 10 0 CEAERO CC(NC(=O)C1CCC([NH3+])CC1)(C1CC1)C1CC1 ZINC000662915084 414802310 /nfs/dbraw/zinc/80/23/10/414802310.db2.gz JAYDUYCKHGFNKQ-UHFFFAOYSA-N 1 0 250.386 2.199 10 0 CEAERO Cc1cc(C(=O)N(C)[C@H](C[NH3+])C(F)(F)F)c(C)s1 ZINC000662977853 414816718 /nfs/dbraw/zinc/81/67/18/414816718.db2.gz MQACQOLCCHNAID-SECBINFHSA-N 1 0 280.315 2.327 10 0 CEAERO Cc1ccc(C(=O)N(C)[C@H](C[NH3+])C(F)(F)F)c(F)c1 ZINC000662982216 414818701 /nfs/dbraw/zinc/81/87/01/414818701.db2.gz YCEPSMHOHBPADW-SNVBAGLBSA-N 1 0 278.249 2.096 10 0 CEAERO CN(C(=O)C1CCC2(CC2)CC1)[C@H](C[NH3+])C(F)(F)F ZINC000662986504 414818878 /nfs/dbraw/zinc/81/88/78/414818878.db2.gz GMUXDPSGPCPMPO-SNVBAGLBSA-N 1 0 278.318 2.305 10 0 CEAERO O=S1(=O)CC[C@@H](CC[NH2+]C2(C3CCC3)CCC2)C1 ZINC000657263851 414822886 /nfs/dbraw/zinc/82/28/86/414822886.db2.gz JYUHBEVXVNNYIA-GFCCVEGCSA-N 1 0 271.426 2.124 10 0 CEAERO [NH3+][C@@H]1CCCN(Cc2c(F)c(F)c(F)c(F)c2F)C1 ZINC000041665757 174597271 /nfs/dbraw/zinc/59/72/71/174597271.db2.gz ZPOKGFFUBHPNMU-ZCFIWIBFSA-N 1 0 280.240 2.305 10 0 CEAERO [NH3+]C[C@]12CCC[C@H]1CN(c1nccc(C(F)(F)F)n1)C2 ZINC000313028318 414866972 /nfs/dbraw/zinc/86/69/72/414866972.db2.gz PTDVSWJTYPNUNU-CABZTGNLSA-N 1 0 286.301 2.061 10 0 CEAERO C[C@H]([NH3+])c1cccc(NC(=O)Nc2ccn(C)n2)c1 ZINC000041717043 174615735 /nfs/dbraw/zinc/61/57/35/174615735.db2.gz FHUXUJIWVWCCKD-VIFPVBQESA-N 1 0 259.313 2.084 10 0 CEAERO CNC(=O)[C@@H](C)n1c(C)cc2c1CC(C)(C)C[C@H]2[NH3+] ZINC000041721734 174618250 /nfs/dbraw/zinc/61/82/50/174618250.db2.gz REPYBEIROSWKSB-ZYHUDNBSSA-N 1 0 263.385 2.076 10 0 CEAERO COc1ccc(F)cc1C[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000310980735 414857247 /nfs/dbraw/zinc/85/72/47/414857247.db2.gz JQXVNTQWQMHNMN-OLZOCXBDSA-N 1 0 253.317 2.227 10 0 CEAERO Cc1nnc(-c2ccccc2NC(=O)C[C@@H]2CCC[NH2+]2)o1 ZINC000042166530 174648388 /nfs/dbraw/zinc/64/83/88/174648388.db2.gz FSBQOKVWOXIZJE-NSHDSACASA-N 1 0 286.335 2.126 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cn(C)c2ccccc12 ZINC000653136018 414919216 /nfs/dbraw/zinc/91/92/16/414919216.db2.gz XWTWZMKDSJABSB-RISCZKNCSA-N 1 0 271.364 2.049 10 0 CEAERO CC1([NH2+]C[C@@H](O)COc2ccc(F)cc2)CCCC1 ZINC000042186375 174653401 /nfs/dbraw/zinc/65/34/01/174653401.db2.gz JEFYOLDFUQNIQT-CYBMUJFWSA-N 1 0 267.344 2.488 10 0 CEAERO Cc1[nH]c2ccccc2c1C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000653135722 414920284 /nfs/dbraw/zinc/92/02/84/414920284.db2.gz NMOPGEOYGHWFNE-ZWNOBZJWSA-N 1 0 271.364 2.347 10 0 CEAERO CC1(C)CCC[C@@H]([NH2+]C2CCN(CCO)CC2)CC1 ZINC000657351745 414876176 /nfs/dbraw/zinc/87/61/76/414876176.db2.gz OYKPNDUUUDGPPE-CQSZACIVSA-N 1 0 268.445 2.392 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc2ccncc2c1 ZINC000653052727 414887173 /nfs/dbraw/zinc/88/71/73/414887173.db2.gz KPHPWVMBIUYSNC-HIFRSBDPSA-N 1 0 269.348 2.092 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc2ccncc2c1 ZINC000653052726 414887213 /nfs/dbraw/zinc/88/72/13/414887213.db2.gz KPHPWVMBIUYSNC-DZGCQCFKSA-N 1 0 269.348 2.092 10 0 CEAERO C[C@H]1CCCC[C@H]1NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653057503 414891362 /nfs/dbraw/zinc/89/13/62/414891362.db2.gz DZDMHCRAFZJCOG-LNFKQOIKSA-N 1 0 278.318 2.079 10 0 CEAERO Cc1cc(F)ccc1NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653058500 414892016 /nfs/dbraw/zinc/89/20/16/414892016.db2.gz WLLKKHISMUBMBS-NXEZZACHSA-N 1 0 290.260 2.471 10 0 CEAERO CN(C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)c1ccc(F)cc1 ZINC000653072653 414897434 /nfs/dbraw/zinc/89/74/34/414897434.db2.gz ZXLDLMPLEPBMJM-GHMZBOCLSA-N 1 0 290.260 2.186 10 0 CEAERO CC(C)[C@H]([NH3+])CCNc1ncc(Br)cn1 ZINC000663275831 414902148 /nfs/dbraw/zinc/90/21/48/414902148.db2.gz QKOMEWQTWUMDAU-SECBINFHSA-N 1 0 273.178 2.024 10 0 CEAERO O[C@@H]1CC[C@H]2C[N@H+](Cc3ccc4c[nH]nc4c3)C[C@@H]2C1 ZINC000660805925 414981640 /nfs/dbraw/zinc/98/16/40/414981640.db2.gz GTRRSSXVVZJPQD-SOUVJXGZSA-N 1 0 271.364 2.156 10 0 CEAERO C[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)[C@@H]1C ZINC000653446124 414997271 /nfs/dbraw/zinc/99/72/71/414997271.db2.gz PMZRARZOJYNGMN-GWOFURMSSA-N 1 0 278.318 2.031 10 0 CEAERO NC(=[NH2+])CCN(c1ncccc1C(F)(F)F)C1CC1 ZINC000042548334 174788011 /nfs/dbraw/zinc/78/80/11/174788011.db2.gz NRXOHZZUPCJBSM-UHFFFAOYSA-N 1 0 272.274 2.395 10 0 CEAERO CCN([C@@H](C[NH3+])c1ccccc1OC)[C@@H](C)COC ZINC000042743731 174862983 /nfs/dbraw/zinc/86/29/83/174862983.db2.gz WPTGZUGCRFINDO-JSGCOSHPSA-N 1 0 266.385 2.052 10 0 CEAERO COCc1nc(C[NH2+]C[C@@H]2CCOC2(C)C)cs1 ZINC000657786224 415077184 /nfs/dbraw/zinc/07/71/84/415077184.db2.gz RHAVUZGZBSGDSP-JTQLQIEISA-N 1 0 270.398 2.194 10 0 CEAERO Cc1cnc(NC(=O)C2CCC(C[NH3+])CC2)s1 ZINC000042750757 174867263 /nfs/dbraw/zinc/86/72/63/174867263.db2.gz YRCIJZNXTLPLGG-UHFFFAOYSA-N 1 0 253.371 2.155 10 0 CEAERO OCC1CC([NH2+]Cc2ccc(OC(F)F)cc2)C1 ZINC000657808343 415087640 /nfs/dbraw/zinc/08/76/40/415087640.db2.gz FYBSQFUBQYCRNL-UHFFFAOYSA-N 1 0 257.280 2.149 10 0 CEAERO COc1ccc(C[NH2+]C2CC(CO)C2)cc1OC(F)F ZINC000657809016 415088264 /nfs/dbraw/zinc/08/82/64/415088264.db2.gz SCLCZGMFJIPJLZ-UHFFFAOYSA-N 1 0 287.306 2.157 10 0 CEAERO OCC1CC([NH2+]Cc2cccc(F)c2Br)C1 ZINC000657810578 415090408 /nfs/dbraw/zinc/09/04/08/415090408.db2.gz HSIMMCLZCCOAQK-UHFFFAOYSA-N 1 0 288.160 2.449 10 0 CEAERO C[C@@H]1CN(c2nccc3c(N)cccc32)C[C@@H]1[NH+](C)C ZINC000663710491 415023486 /nfs/dbraw/zinc/02/34/86/415023486.db2.gz UHOUORZBTZUXJV-ABAIWWIYSA-N 1 0 270.380 2.203 10 0 CEAERO Oc1ccc2c(c1)OC[C@H]2[NH2+]CCOc1ccccc1 ZINC000042895243 174903391 /nfs/dbraw/zinc/90/33/91/174903391.db2.gz POHAZBBRGDNEAO-OAHLLOKOSA-N 1 0 271.316 2.494 10 0 CEAERO CC[C@@H]1CN([C@@H](c2cccc(C)c2)[C@@H](C)[NH3+])CCO1 ZINC000042966227 174929258 /nfs/dbraw/zinc/92/92/58/174929258.db2.gz XZEZCDKFYNGKGU-FVQBIDKESA-N 1 0 262.397 2.494 10 0 CEAERO [NH3+]C[C@@H](Sc1nc[nH]n1)c1cccc(Br)c1 ZINC000043024237 174945243 /nfs/dbraw/zinc/94/52/43/174945243.db2.gz DHNMRGXPDNEKPS-SECBINFHSA-N 1 0 299.197 2.359 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccccc1C)N1CCOC[C@@H]1C ZINC000043034897 174950760 /nfs/dbraw/zinc/95/07/60/174950760.db2.gz BFDXUFWNZBVXDV-IMJJTQAJSA-N 1 0 262.397 2.494 10 0 CEAERO [NH3+]C[C@@H](Sc1nc[nH]n1)c1ccccc1Cl ZINC000043089004 174963656 /nfs/dbraw/zinc/96/36/56/174963656.db2.gz ASHFHRZZYWYMNS-SECBINFHSA-N 1 0 254.746 2.250 10 0 CEAERO Cc1ccsc1[C@@H](C[NH3+])Sc1nnnn1C1CC1 ZINC000043251034 174993804 /nfs/dbraw/zinc/99/38/04/174993804.db2.gz XZILAYJWLMQWKW-SECBINFHSA-N 1 0 281.410 2.170 10 0 CEAERO [NH3+]C[C@@H](c1ccc(Cl)s1)N1CCCC[C@@H]1CO ZINC000043253132 174994227 /nfs/dbraw/zinc/99/42/27/174994227.db2.gz MPWIZMVQXCJKQX-ZJUUUORDSA-N 1 0 274.817 2.248 10 0 CEAERO C[NH2+][C@@H](c1c(C)cc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000043300636 175001405 /nfs/dbraw/zinc/00/14/05/175001405.db2.gz NIYFPKJKWMNLMQ-UKRRQHHQSA-N 1 0 281.421 2.307 10 0 CEAERO CCCCC[C@@H]([NH2+]CCC)[C@H]1CCS(=O)(=O)C1 ZINC000043301419 175002053 /nfs/dbraw/zinc/00/20/53/175002053.db2.gz CAWASYISNPXUTH-QWHCGFSZSA-N 1 0 261.431 2.370 10 0 CEAERO CCC[NH2+][C@@H](c1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000043301218 175002079 /nfs/dbraw/zinc/00/20/79/175002079.db2.gz YHHLZJAZOFEQEU-IUODEOHRSA-N 1 0 297.420 2.171 10 0 CEAERO CCC[NH2+][C@H]1CCN(c2cccc(F)c2C)C1=O ZINC000043321324 175006060 /nfs/dbraw/zinc/00/60/60/175006060.db2.gz PSHFQSRYJFNIDG-LBPRGKRZSA-N 1 0 250.317 2.239 10 0 CEAERO FC(F)(F)COc1ccc(N[C@H]2CCC[NH2+]C2)cn1 ZINC000043325844 175007568 /nfs/dbraw/zinc/00/75/68/175007568.db2.gz CJCHQVGRTLKEIH-VIFPVBQESA-N 1 0 275.274 2.187 10 0 CEAERO Clc1cc2c(cc1N[C@H]1CCC[NH2+]C1)OCO2 ZINC000043326162 175007613 /nfs/dbraw/zinc/00/76/13/175007613.db2.gz SCXZPHHKNXWSGB-QMMMGPOBSA-N 1 0 254.717 2.233 10 0 CEAERO COc1ccc(OC(F)F)c(N[C@@H]2CCC[NH2+]C2)c1 ZINC000043326335 175007654 /nfs/dbraw/zinc/00/76/54/175007654.db2.gz JXJPECCEYVPWNO-SECBINFHSA-N 1 0 272.295 2.461 10 0 CEAERO Clc1ccc(-n2cncn2)c(N[C@H]2CCC[NH2+]C2)c1 ZINC000043325958 175007657 /nfs/dbraw/zinc/00/76/57/175007657.db2.gz BTHNQIIXRXVEHT-NSHDSACASA-N 1 0 277.759 2.085 10 0 CEAERO FC(F)(F)CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCNC2)C1 ZINC000043326960 175008989 /nfs/dbraw/zinc/00/89/89/175008989.db2.gz PDPFFFYNZBEROV-IJLUTSLNSA-N 1 0 280.334 2.218 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccco1)N(CCOC)[C@@H](C)COC ZINC000043336207 175011692 /nfs/dbraw/zinc/01/16/92/175011692.db2.gz CMPPHGYFZYMJFC-YDHLFZDLSA-N 1 0 284.400 2.041 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccccn1)n1cc(Br)cn1 ZINC000043341479 175015245 /nfs/dbraw/zinc/01/52/45/175015245.db2.gz QEPINCBMPHXMIF-PWSUYJOCSA-N 1 0 295.184 2.367 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccccn1)N(C)Cc1cscn1 ZINC000043341227 175015545 /nfs/dbraw/zinc/01/55/45/175015545.db2.gz UJAIEICEZUIVHT-TZMCWYRMSA-N 1 0 276.409 2.449 10 0 CEAERO C[C@H]([NH3+])[C@H](Sc1nncs1)c1ccccn1 ZINC000043344636 175016498 /nfs/dbraw/zinc/01/64/98/175016498.db2.gz HSFVQLXXOLCMKJ-CBAPKCEASA-N 1 0 252.368 2.114 10 0 CEAERO CCOC1CCN([C@@H](c2cccnc2)[C@@H]([NH3+])CC)CC1 ZINC000043347180 175018141 /nfs/dbraw/zinc/01/81/41/175018141.db2.gz BPDINRYHXPKBGC-HOTGVXAUSA-N 1 0 277.412 2.361 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1cccnc1)N(CC)C[C@@H]1CCCO1 ZINC000043347568 175018156 /nfs/dbraw/zinc/01/81/56/175018156.db2.gz AZGSIRXMPYTSDP-ARFHVFGLSA-N 1 0 277.412 2.361 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1cccnc1)n1cnc2ccccc21 ZINC000043348778 175018482 /nfs/dbraw/zinc/01/84/82/175018482.db2.gz BTFYZKSLWVDHGY-IAQYHMDHSA-N 1 0 252.321 2.368 10 0 CEAERO CC[C@H]([NH3+])[C@H](OC[C@@H]1CCCCO1)c1cccnc1 ZINC000043350305 175019200 /nfs/dbraw/zinc/01/92/00/175019200.db2.gz DNQPJQMYAANZRQ-SOUVJXGZSA-N 1 0 264.369 2.446 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccncc1)N(C)Cc1ccccn1 ZINC000043353510 175020983 /nfs/dbraw/zinc/02/09/83/175020983.db2.gz HLFWHWHHOKELOB-CVEARBPZSA-N 1 0 270.380 2.387 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccncc1)N(CCOC)CC(C)C ZINC000043354387 175021363 /nfs/dbraw/zinc/02/13/63/175021363.db2.gz OYNIOHCCKLNUTQ-JKSUJKDBSA-N 1 0 279.428 2.464 10 0 CEAERO CC[C@H]([NH3+])[C@H](OCCOC(C)C)c1ccncc1 ZINC000043355683 175022996 /nfs/dbraw/zinc/02/29/96/175022996.db2.gz CJDGIQAMFNMIJJ-UONOGXRCSA-N 1 0 252.358 2.302 10 0 CEAERO C[C@H]([NH3+])[C@H](Oc1ccc(CO)cc1)c1ccncc1 ZINC000043356302 175023587 /nfs/dbraw/zinc/02/35/87/175023587.db2.gz QUFMQRNBRCPTLI-NHYWBVRUSA-N 1 0 258.321 2.041 10 0 CEAERO CC[C@H]([NH3+])[C@@H](SCCC(=O)OC)c1ccncc1 ZINC000043363464 175024115 /nfs/dbraw/zinc/02/41/15/175024115.db2.gz ZKINQRSCGBXOJG-AAEUAGOBSA-N 1 0 268.382 2.156 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1cnn(C)c1)c1ccncc1 ZINC000043363618 175024232 /nfs/dbraw/zinc/02/42/32/175024232.db2.gz XHWHPXMYASGDOP-QWHCGFSZSA-N 1 0 262.382 2.386 10 0 CEAERO Cc1ccc([C@@H]([C@@H](C)[NH3+])N(C)CC(F)(F)F)o1 ZINC000043364512 175025540 /nfs/dbraw/zinc/02/55/40/175025540.db2.gz QGKQUQYIWJXEPX-PSASIEDQSA-N 1 0 250.264 2.470 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)N(C)C1CCOCC1 ZINC000043364462 175025835 /nfs/dbraw/zinc/02/58/35/175025835.db2.gz YWRCEUFKVPPQKT-ZFWWWQNUSA-N 1 0 266.385 2.477 10 0 CEAERO CC[C@H]([NH3+])[C@@H](N(CCOC)[C@@H](C)C1CC1)C(F)(F)F ZINC000043379145 175030862 /nfs/dbraw/zinc/03/08/62/175030862.db2.gz SDESHWLEFVHVSR-ZMLRMANQSA-N 1 0 282.350 2.402 10 0 CEAERO C[C@@H]([NH3+])[C@H](OCCOc1ccccc1)C(F)(F)F ZINC000043384172 175031406 /nfs/dbraw/zinc/03/14/06/175031406.db2.gz LQZVUMBHJDWDHJ-KOLCDFICSA-N 1 0 263.259 2.360 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1nccn1C)C(F)(F)F ZINC000043385507 175032145 /nfs/dbraw/zinc/03/21/45/175032145.db2.gz ZSNDHUHAMBZXNX-NKWVEPMBSA-N 1 0 253.293 2.180 10 0 CEAERO CC[C@@H]1CCCN1c1nc2c(cc1C(N)=[NH2+])CCC2 ZINC000043406641 175036998 /nfs/dbraw/zinc/03/69/98/175036998.db2.gz GDVRNSNNAPNHJL-LLVKDONJSA-N 1 0 258.369 2.233 10 0 CEAERO O=C(Nc1ccc(-c2ccccc2)cc1)[C@H]1C[NH2+]CCO1 ZINC000043708858 175102275 /nfs/dbraw/zinc/10/22/75/175102275.db2.gz BRVHYVIMITVHQS-MRXNPFEDSA-N 1 0 282.343 2.281 10 0 CEAERO C[NH2+][C@H]1CC[C@H](c2ccccc2)C[C@@H]1N1CCOCC1 ZINC000043807992 175109050 /nfs/dbraw/zinc/10/90/50/175109050.db2.gz LQADTWWRFRQEBE-ULQDDVLXSA-N 1 0 274.408 2.243 10 0 CEAERO CC[NH2+][C@@H](c1ccccc1)[C@@H](CC)N1CCOCC1 ZINC000043808484 175109155 /nfs/dbraw/zinc/10/91/55/175109155.db2.gz TVAKXQSTKALPBM-CVEARBPZSA-N 1 0 262.397 2.448 10 0 CEAERO CC[NH2+][C@@H]1CCC2(C[C@H]1N1CCCC[C@@H]1C)OCCO2 ZINC000043810136 175109355 /nfs/dbraw/zinc/10/93/55/175109355.db2.gz VPEGWCBXVVDMCA-RRFJBIMHSA-N 1 0 282.428 2.135 10 0 CEAERO CCC[NH2+][C@H]1CCOC[C@@H]1N1CCCC[C@@H]1CC ZINC000043883513 175116271 /nfs/dbraw/zinc/11/62/71/175116271.db2.gz DNFNFMKZNLLRMN-KKUMJFAQSA-N 1 0 254.418 2.408 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2OC[C@@H]1N1CCC(OC)CC1 ZINC000043890280 175118327 /nfs/dbraw/zinc/11/83/27/175118327.db2.gz CTCFTMJINUBHIK-RDJZCZTQSA-N 1 0 290.407 2.209 10 0 CEAERO C[NH2+][C@H]1c2ccccc2C[C@H]1N(C)Cc1cccnc1 ZINC000043893468 175118415 /nfs/dbraw/zinc/11/84/15/175118415.db2.gz FGNBVOXCJGDPIS-SJORKVTESA-N 1 0 267.376 2.399 10 0 CEAERO CCc1ccc([C@H](CN(CCOC)CCOC)[NH2+]C)cc1 ZINC000043912596 175124584 /nfs/dbraw/zinc/12/45/84/175124584.db2.gz VDNWWHQIABTMFW-KRWDZBQOSA-N 1 0 294.439 2.104 10 0 CEAERO CC[NH2+][C@@H]1c2ccc(OC)cc2CC[C@@H]1N(C)CCOC ZINC000043916092 175124930 /nfs/dbraw/zinc/12/49/30/175124930.db2.gz VOUIYVPCSTUJKY-DLBZAZTESA-N 1 0 292.423 2.239 10 0 CEAERO CCC[NH2+][C@@H]1c2ccccc2C[C@H]1N(C)CCOC ZINC000043916316 175125094 /nfs/dbraw/zinc/12/50/94/175125094.db2.gz MFWZVVTZIICCML-HZPDHXFCSA-N 1 0 262.397 2.230 10 0 CEAERO C[NH2+][C@@H](c1ccc(OC)cc1)[C@H](C)N1CCOCC1(C)C ZINC000043916769 175125419 /nfs/dbraw/zinc/12/54/19/175125419.db2.gz OSBXFEITKYEIBH-XJKSGUPXSA-N 1 0 292.423 2.455 10 0 CEAERO C[NH2+][C@H]1c2ccccc2CC[C@@H]1N1CCOCC1(C)C ZINC000043916857 175125895 /nfs/dbraw/zinc/12/58/95/175125895.db2.gz MAYWXWMANLVXST-HOTGVXAUSA-N 1 0 274.408 2.373 10 0 CEAERO C[NH2+][C@H]1CCC2(C[C@@H]1N(C)C1CCC(C)CC1)OCCO2 ZINC000043966980 175127748 /nfs/dbraw/zinc/12/77/48/175127748.db2.gz YSEBKTJMSGMWAY-CKUJCDMFSA-N 1 0 296.455 2.381 10 0 CEAERO C[NH2+][C@H](CN(C)C[C@@H]1CCCCO1)c1ccccc1OC ZINC000043966379 175127874 /nfs/dbraw/zinc/12/78/74/175127874.db2.gz ALDSHMCMMUNWLI-GOEBONIOSA-N 1 0 292.423 2.457 10 0 CEAERO CC[NH2+][C@H]1CCCC[C@H]1N(CC)C[C@@H]1CCCO1 ZINC000043966880 175127994 /nfs/dbraw/zinc/12/79/94/175127994.db2.gz UXDLSLZEOABBGR-SOUVJXGZSA-N 1 0 254.418 2.408 10 0 CEAERO CCC[C@H]([NH2+]CC)[C@H](CC)N(C)Cc1cnn(C)c1 ZINC000043967267 175128444 /nfs/dbraw/zinc/12/84/44/175128444.db2.gz XUBUYEPSVCZBPG-GJZGRUSLSA-N 1 0 266.433 2.409 10 0 CEAERO C[NH2+][C@H](CN(CCOC)C1CC1)c1ccccc1C ZINC000043969713 175131469 /nfs/dbraw/zinc/13/14/69/175131469.db2.gz QGMJRNGYEPOZDU-MRXNPFEDSA-N 1 0 262.397 2.366 10 0 CEAERO CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N(CCCOC)CCOC ZINC000043970962 175131860 /nfs/dbraw/zinc/13/18/60/175131860.db2.gz PHVISCQNQQALPJ-XHSDSOJGSA-N 1 0 286.460 2.138 10 0 CEAERO CCOc1ccc([C@@H](O)C[N@H+](C)C2CCN(C)CC2)cc1 ZINC000044121165 175142656 /nfs/dbraw/zinc/14/26/56/175142656.db2.gz IWOFGWJBZZSEMO-KRWDZBQOSA-N 1 0 292.423 2.145 10 0 CEAERO CC[NH2+][C@@H]1CCCc2cc(OC[C@H](C)C(N)=O)ccc21 ZINC000044745607 175241961 /nfs/dbraw/zinc/24/19/61/175241961.db2.gz DFKWSXIMENTFBW-XHDPSFHLSA-N 1 0 276.380 2.174 10 0 CEAERO C[C@H](CN1CCOCC1)[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000044747133 175242499 /nfs/dbraw/zinc/24/24/99/175242499.db2.gz CFDSUXBISFIDTB-CXAGYDPISA-N 1 0 290.407 2.080 10 0 CEAERO CC(=O)Nc1cccc(NC(=O)C2(C[NH3+])CCCCC2)c1 ZINC000044762265 175246224 /nfs/dbraw/zinc/24/62/24/175246224.db2.gz AALFUIJNGMMIFM-UHFFFAOYSA-N 1 0 289.379 2.493 10 0 CEAERO C[C@H](CCc1ccco1)NC(=O)C1(C[NH3+])CCCC1 ZINC000044763865 175247947 /nfs/dbraw/zinc/24/79/47/175247947.db2.gz NAGGBNZSDHIWQT-GFCCVEGCSA-N 1 0 264.369 2.236 10 0 CEAERO COCCN(C(=O)C1(C[NH3+])CCCCC1)[C@@H](C)C1CC1 ZINC000044764188 175248255 /nfs/dbraw/zinc/24/82/55/175248255.db2.gz ZKNISXFZZLBDBD-ZDUSSCGKSA-N 1 0 282.428 2.169 10 0 CEAERO CCCCCN(C(=O)C1(C[NH3+])CCOCC1)C(C)C ZINC000044764098 175248356 /nfs/dbraw/zinc/24/83/56/175248356.db2.gz ZCSUPJWPPLQIGI-UHFFFAOYSA-N 1 0 270.417 2.169 10 0 CEAERO C[C@H]1CCCN(C(=O)[C@@H](C[NH3+])Cc2ccccc2)C1 ZINC000044796144 175254471 /nfs/dbraw/zinc/25/44/71/175254471.db2.gz VXSPHOWKJXWXLX-DZGCQCFKSA-N 1 0 260.381 2.063 10 0 CEAERO C[C@H](NC(=O)[C@@H](C[NH3+])Cc1ccccc1)c1cccnc1 ZINC000044801098 175255676 /nfs/dbraw/zinc/25/56/76/175255676.db2.gz LFRCPOPBBSJRNC-XJKSGUPXSA-N 1 0 283.375 2.076 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)N[C@@H](C)c1cccc(F)c1 ZINC000044806355 175256342 /nfs/dbraw/zinc/25/63/42/175256342.db2.gz OCUAYFWRIXWZQU-JQWIXIFHSA-N 1 0 252.333 2.378 10 0 CEAERO CC[C@H](NC(=O)[C@@H](C[NH3+])Cc1ccccc1)C(C)C ZINC000044805647 175256508 /nfs/dbraw/zinc/25/65/08/175256508.db2.gz BIASUXUJSWSVGR-CABCVRRESA-N 1 0 262.397 2.355 10 0 CEAERO CCC[C@@H](C(N)=S)C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000044830186 175261265 /nfs/dbraw/zinc/26/12/65/175261265.db2.gz CRWQACOZCIKYRD-STQMWFEESA-N 1 0 299.484 2.070 10 0 CEAERO C[C@H](C[NH2+][C@@H](C)C(=O)N1CCCCCC1)N1CCCCC1 ZINC000044993356 175286520 /nfs/dbraw/zinc/28/65/20/175286520.db2.gz CCZHPQSAJIXUAR-CVEARBPZSA-N 1 0 295.471 2.242 10 0 CEAERO C[C@H](C[NH2+][C@H]1CCCCC[C@@H]1O)N1CCCCC1 ZINC000044992705 175286999 /nfs/dbraw/zinc/28/69/99/175286999.db2.gz YZCFOFUFYYCLQL-ILXRZTDVSA-N 1 0 254.418 2.144 10 0 CEAERO CC[C@H](C)NC(=O)CCN1Cc2ccccc2C1=[NH2+] ZINC000044995282 175287314 /nfs/dbraw/zinc/28/73/14/175287314.db2.gz NKLFBTAIYPIAKL-NSHDSACASA-N 1 0 259.353 2.132 10 0 CEAERO COCC[C@@](C)(C[NH3+])N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000045043327 175295078 /nfs/dbraw/zinc/29/50/78/175295078.db2.gz BNGWUFNAIVHBBN-ZNMIVQPWSA-N 1 0 254.418 2.252 10 0 CEAERO CC[N@H+](CC(N)=S)Cc1cc(Cl)ccc1OC ZINC000045063219 175298921 /nfs/dbraw/zinc/29/89/21/175298921.db2.gz BYQUUKQXKNATLH-UHFFFAOYSA-N 1 0 272.801 2.457 10 0 CEAERO Cc1nn(C)c(N2CCC[C@@H]2C2CCCC2)c1C[NH3+] ZINC000045085521 175303656 /nfs/dbraw/zinc/30/36/56/175303656.db2.gz QMFWOODPMKNQNM-CQSZACIVSA-N 1 0 262.401 2.346 10 0 CEAERO C[C@@H]([NH2+][C@H]1CC1(C)C)c1ccc2c(c1)NC(=O)CO2 ZINC000045116632 175311735 /nfs/dbraw/zinc/31/17/35/175311735.db2.gz UMKCSKOETFZFHV-RNCFNFMXSA-N 1 0 260.337 2.467 10 0 CEAERO Cc1sc2[nH]c(C[NH2+][C@@H]3CC3(C)C)nc(=O)c2c1C ZINC000045119876 175312044 /nfs/dbraw/zinc/31/20/44/175312044.db2.gz GHHCKFBCSMCNRB-SECBINFHSA-N 1 0 277.393 2.490 10 0 CEAERO Cc1c(C)n(C[C@@H]2CC[N@@H+](C(C)C)C2)c2ncnc(N)c12 ZINC000045136390 175313948 /nfs/dbraw/zinc/31/39/48/175313948.db2.gz RAMWBOIEBUNNRZ-CYBMUJFWSA-N 1 0 287.411 2.361 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]C2CCOCC2)c1C ZINC000045169953 175320322 /nfs/dbraw/zinc/32/03/22/175320322.db2.gz XJGWHXBSYLDUEH-SNVBAGLBSA-N 1 0 251.374 2.349 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+][C@H](C)CN2CCCC2=O)c1C ZINC000045171756 175320983 /nfs/dbraw/zinc/32/09/83/175320983.db2.gz VBOXZPCDVZHBBL-NEPJUHHUSA-N 1 0 292.427 2.181 10 0 CEAERO CCN(CC)C(=O)CC[NH2+][C@H](C)c1c(C)nn(CC)c1C ZINC000045171579 175321205 /nfs/dbraw/zinc/32/12/05/175321205.db2.gz QWUFYHNXRGYOAE-GFCCVEGCSA-N 1 0 294.443 2.429 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]CCN1CCCCC1 ZINC000045172595 175321502 /nfs/dbraw/zinc/32/15/02/175321502.db2.gz XQXGDCJDDUDSRD-GFCCVEGCSA-N 1 0 264.417 2.173 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]CC[C@H]1CCCO1 ZINC000045172045 175321972 /nfs/dbraw/zinc/32/19/72/175321972.db2.gz ANLOCDRPFQOPMQ-ZWNOBZJWSA-N 1 0 251.374 2.257 10 0 CEAERO CCCNC(=O)CC[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000045172892 175322622 /nfs/dbraw/zinc/32/26/22/175322622.db2.gz USWOYTAOELHYBF-NSHDSACASA-N 1 0 280.416 2.087 10 0 CEAERO CC(C)[NH2+]Cc1sccc1CN1CCOCC1 ZINC000045205685 175327990 /nfs/dbraw/zinc/32/79/90/175327990.db2.gz RNESWFYUBHAENU-UHFFFAOYSA-N 1 0 254.399 2.078 10 0 CEAERO CCCN[C@@](C)(CC[N@@H+]1CCC[C@@H]1CC)C(=O)OC ZINC000045221312 175330145 /nfs/dbraw/zinc/33/01/45/175330145.db2.gz KYMNVUYIWDKYBA-ZFWWWQNUSA-N 1 0 270.417 2.182 10 0 CEAERO CCN[C@](C[N@@H+]1CCC[C@@H]1C)(C(=O)OC)c1ccccc1 ZINC000045221485 175330748 /nfs/dbraw/zinc/33/07/48/175330748.db2.gz JJPZUZMDPQYLNC-YOEHRIQHSA-N 1 0 290.407 2.149 10 0 CEAERO CC[N@H+](CC[C@](C)(NC(C)C)C(N)=O)C1CCCCC1 ZINC000045224168 175332261 /nfs/dbraw/zinc/33/22/61/175332261.db2.gz PIPXPTCSAXEUQU-INIZCTEOSA-N 1 0 283.460 2.273 10 0 CEAERO CCN[C@](C)(CC[N@H+]1C[C@H](C)C[C@H](C)C1)C(=O)OCC ZINC000045224660 175332636 /nfs/dbraw/zinc/33/26/36/175332636.db2.gz ADVXGSZRKGHLAO-IJEWVQPXSA-N 1 0 284.444 2.286 10 0 CEAERO CCN[C@](C[N@H+](C)C(C)C)(C(=O)OCC)c1ccccc1 ZINC000045229368 175334427 /nfs/dbraw/zinc/33/44/27/175334427.db2.gz RWIXGPDWMARELM-KRWDZBQOSA-N 1 0 292.423 2.395 10 0 CEAERO CC(C)[NH2+][C@@](C)(CC[N@H+](C)C1CCCCC1)C(=O)[O-] ZINC000045231230 175335238 /nfs/dbraw/zinc/33/52/38/175335238.db2.gz XBMBCVZZZDPIBA-HNNXBMFYSA-N 1 0 270.417 2.482 10 0 CEAERO CC(C)[NH2+][C@@](C)(CC[N@H+]1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000045231869 175335536 /nfs/dbraw/zinc/33/55/36/175335536.db2.gz LKEWGKILKKBQLF-GUTXKFCHSA-N 1 0 270.417 2.481 10 0 CEAERO COC(=O)[C@](C)(C[N@H+]1[C@H](C)CCC[C@@H]1C)NC(C)C ZINC000045231811 175335604 /nfs/dbraw/zinc/33/56/04/175335604.db2.gz ABTYGCMWPSURCF-GUTXKFCHSA-N 1 0 270.417 2.179 10 0 CEAERO CC[NH2+][C@@](C)(CC[N@H+]1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000045231854 175335771 /nfs/dbraw/zinc/33/57/71/175335771.db2.gz ALZZIFAZGISVAL-SCRDCRAPSA-N 1 0 256.390 2.092 10 0 CEAERO CCN[C@@](C)(CC[N@H+](CC)CC(C)C)C(=O)OCC ZINC000045264208 175337618 /nfs/dbraw/zinc/33/76/18/175337618.db2.gz BAHMPHDDXIYBOJ-HNNXBMFYSA-N 1 0 272.433 2.286 10 0 CEAERO CCOC(=O)[C@@](C)(CC[N@H+](CC)C(C)C)NC1CC1 ZINC000045265708 175338321 /nfs/dbraw/zinc/33/83/21/175338321.db2.gz JSSVSEGOYKYSHW-OAHLLOKOSA-N 1 0 270.417 2.181 10 0 CEAERO CCC[N@H+](C[C@@](NCC)(C(N)=O)c1ccccc1)C(C)C ZINC000045266713 175338954 /nfs/dbraw/zinc/33/89/54/175338954.db2.gz ICWXHAHNZVSURI-KRWDZBQOSA-N 1 0 291.439 2.097 10 0 CEAERO CCC[NH2+][C@](C)(CC[N@H+](CCC)C(C)C)C(=O)[O-] ZINC000045266872 175339184 /nfs/dbraw/zinc/33/91/84/175339184.db2.gz LPUOQLDSHWUWLY-CQSZACIVSA-N 1 0 258.406 2.340 10 0 CEAERO CCCN[C@@](C)(CC[N@H+](C)C1CCCC1)C(=O)OC ZINC000045266267 175339213 /nfs/dbraw/zinc/33/92/13/175339213.db2.gz RDVLOVAGBLIACJ-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CCC[N@H+](CC)CC[C@](C)(NC(C)C)C(=O)OC ZINC000045267715 175339674 /nfs/dbraw/zinc/33/96/74/175339674.db2.gz YHXSTNZRPQDKPR-AWEZNQCLSA-N 1 0 258.406 2.038 10 0 CEAERO CCCCC[N@H+](C)C[C@@](C)(NCC)C(=O)OCC ZINC000045268139 175340857 /nfs/dbraw/zinc/34/08/57/175340857.db2.gz OOFWTSDYNUIPAY-CQSZACIVSA-N 1 0 258.406 2.040 10 0 CEAERO CCOC(=O)[C@](C)(C[N@H+](C)C(CC)CC)NC1CC1 ZINC000045269676 175341218 /nfs/dbraw/zinc/34/12/18/175341218.db2.gz YAONKNCAWBHBKS-HNNXBMFYSA-N 1 0 270.417 2.181 10 0 CEAERO CCCN[C@](C)(C[N@H+](C)[C@@H](C)C1CC1)C(=O)OCC ZINC000045270266 175341395 /nfs/dbraw/zinc/34/13/95/175341395.db2.gz BEMLMNPBFUTURV-SWLSCSKDSA-N 1 0 270.417 2.038 10 0 CEAERO CCN[C@@](C[N@H+](C)CC1CC1)(C(=O)OC)c1ccccc1 ZINC000045272921 175343764 /nfs/dbraw/zinc/34/37/64/175343764.db2.gz ZMIKSIZSRYABCB-QGZVFWFLSA-N 1 0 290.407 2.006 10 0 CEAERO CCC[NH2+][C@@](C)(CCN(CC)c1cccc(C)c1)C(N)=O ZINC000045273253 175344009 /nfs/dbraw/zinc/34/40/09/175344009.db2.gz OLBMBOAODNIPGO-KRWDZBQOSA-N 1 0 291.439 2.455 10 0 CEAERO CCC[NH2+][C@@](C)(CCN(CC)c1cccc(F)c1)C(N)=O ZINC000045275492 175345442 /nfs/dbraw/zinc/34/54/42/175345442.db2.gz BLDYWCCRDCHRRX-INIZCTEOSA-N 1 0 295.402 2.286 10 0 CEAERO CCCN[C@](C)(CC[N@H+](CC(C)C)C1CC1)C(=O)OC ZINC000045277566 175347249 /nfs/dbraw/zinc/34/72/49/175347249.db2.gz BIVCKAJNTOCGHR-MRXNPFEDSA-N 1 0 284.444 2.428 10 0 CEAERO CCN[C@](C)(C[N@@H+]1CCC[C@@H]1C1CCCC1)C(=O)OC ZINC000045277370 175347274 /nfs/dbraw/zinc/34/72/74/175347274.db2.gz HSSWICUBRIKTRJ-GDBMZVCRSA-N 1 0 282.428 2.182 10 0 CEAERO CCOC(=O)[C@@](N)(C[N@H+](C)CC(C)(C)C)c1ccccc1 ZINC000045279301 175349672 /nfs/dbraw/zinc/34/96/72/175349672.db2.gz VAYRSTWTOUZQAN-QGZVFWFLSA-N 1 0 292.423 2.382 10 0 CEAERO CCOC(=O)[C@@](C)(CC[N@H+](C)CC(C)(C)C)NC1CC1 ZINC000045279399 175349879 /nfs/dbraw/zinc/34/98/79/175349879.db2.gz KABGCLBSXMCAFI-MRXNPFEDSA-N 1 0 284.444 2.428 10 0 CEAERO CC1CCC([N@H+](C)CC[C@](C)([NH2+]C2CC2)C(=O)[O-])CC1 ZINC000045280586 175349898 /nfs/dbraw/zinc/34/98/98/175349898.db2.gz UTRCYLVHECOSAK-PXCJXSSVSA-N 1 0 282.428 2.482 10 0 CEAERO CCC1CCC([N@H+](C)CC[C@@](C)(N)C(=O)OC)CC1 ZINC000045281138 175352124 /nfs/dbraw/zinc/35/21/24/175352124.db2.gz MCXOZTRLWZUURS-SSDMNJCBSA-N 1 0 270.417 2.168 10 0 CEAERO CCCC[N@H+](CC[C@@](C)(NC)C(=O)OC)[C@@H](C)CC ZINC000045282635 175352506 /nfs/dbraw/zinc/35/25/06/175352506.db2.gz GVQMMYQEAQUZBI-DZGCQCFKSA-N 1 0 272.433 2.428 10 0 CEAERO C[NH2+][C@@](C)(CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C(=O)[O-] ZINC000045373205 175364931 /nfs/dbraw/zinc/36/49/31/175364931.db2.gz GORCLAIBJQKNGU-GUTXKFCHSA-N 1 0 270.417 2.197 10 0 CEAERO CCN[C@@](C)(CCC[N@@H+]1CCCC[C@@H]1C)C(=O)OC ZINC000045376144 175366419 /nfs/dbraw/zinc/36/64/19/175366419.db2.gz JESDGYOXKQNMOW-ZFWWWQNUSA-N 1 0 270.417 2.182 10 0 CEAERO CCCN[C@](C)(CCC[NH+]1CCCCC1)C(=O)OC ZINC000045378350 175367384 /nfs/dbraw/zinc/36/73/84/175367384.db2.gz NXSXRLPVODQNDL-OAHLLOKOSA-N 1 0 270.417 2.184 10 0 CEAERO CCCC[NH+](CCCC)C[C@H](NC(C)C)C(=O)OC ZINC000045380533 175369209 /nfs/dbraw/zinc/36/92/09/175369209.db2.gz PYQMCSCAFKUBID-AWEZNQCLSA-N 1 0 272.433 2.428 10 0 CEAERO CC(C)C[N@H+](C)CCC[C@@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045380953 175370373 /nfs/dbraw/zinc/37/03/73/175370373.db2.gz QANOQTLHOPFXQQ-CQSZACIVSA-N 1 0 258.406 2.196 10 0 CEAERO CC[N@H+](CCCC[C@](C)([NH2+]C1CC1)C(=O)[O-])C1CC1 ZINC000045386314 175371948 /nfs/dbraw/zinc/37/19/48/175371948.db2.gz KZSXYUPQDBLFMW-HNNXBMFYSA-N 1 0 268.401 2.236 10 0 CEAERO CCC[N@H+](CCCC[C@@](C)(NC)C(=O)OC)C(C)C ZINC000045385833 175372178 /nfs/dbraw/zinc/37/21/78/175372178.db2.gz ASHFZSDLPCRPOV-OAHLLOKOSA-N 1 0 272.433 2.428 10 0 CEAERO CCC[N@H+](CCC[C@](C)([NH2+]CC)C(=O)[O-])C(C)C ZINC000045385932 175372262 /nfs/dbraw/zinc/37/22/62/175372262.db2.gz BOSBFIUXFSYIAY-AWEZNQCLSA-N 1 0 258.406 2.340 10 0 CEAERO CCCN[C@@](C)(CCC[N@H+](CC)C1CC1)C(=O)OC ZINC000045386565 175373280 /nfs/dbraw/zinc/37/32/80/175373280.db2.gz OVHSUOQWVJPEDJ-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CC[NH2+][C@](C)(CCC[N@H+](CC)C1CCCC1)C(=O)[O-] ZINC000045390543 175374461 /nfs/dbraw/zinc/37/44/61/175374461.db2.gz TWLWQTJJWWKASF-OAHLLOKOSA-N 1 0 270.417 2.484 10 0 CEAERO CCOC(=O)[C@@](C)(CCC[N@H+](C)[C@@H](C)C1CC1)NC ZINC000045392996 175375924 /nfs/dbraw/zinc/37/59/24/175375924.db2.gz UBPMBXLSXPCBDP-SWLSCSKDSA-N 1 0 270.417 2.038 10 0 CEAERO CC(C)[NH2+][C@@](C)(CCCC[N@H+](C)CC1CC1)C(=O)[O-] ZINC000045419899 175377930 /nfs/dbraw/zinc/37/79/30/175377930.db2.gz KOBVYTIQNXYRRU-HNNXBMFYSA-N 1 0 270.417 2.340 10 0 CEAERO CCCN[C@](C)(CCC[N@H+](C)CC1CC1)C(=O)OC ZINC000045419968 175378085 /nfs/dbraw/zinc/37/80/85/175378085.db2.gz UZOMDPBZGLQVLD-OAHLLOKOSA-N 1 0 270.417 2.040 10 0 CEAERO CC[NH2+][C@](C)(CCCN(CC)c1cccc(C)c1)C(N)=O ZINC000045420058 175378445 /nfs/dbraw/zinc/37/84/45/175378445.db2.gz XLDNWDDGIMCPFL-QGZVFWFLSA-N 1 0 291.439 2.455 10 0 CEAERO CN1C[C@@H](C[NH2+]C2CC(c3ccc(F)cc3)C2)CC1=O ZINC000658238245 415271407 /nfs/dbraw/zinc/27/14/07/415271407.db2.gz FRMFIXFYTYNDLJ-NUYPLMSZSA-N 1 0 276.355 2.140 10 0 CEAERO CC(C)[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1ccccc1 ZINC000658243073 415278593 /nfs/dbraw/zinc/27/85/93/415278593.db2.gz NLFDJCJQBXFSTM-CJNGLKHVSA-N 1 0 260.381 2.452 10 0 CEAERO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CC(=O)N(C)C2)cc1 ZINC000658243814 415278839 /nfs/dbraw/zinc/27/88/39/415278839.db2.gz HCYPNPYJXNCMJK-QWHCGFSZSA-N 1 0 276.380 2.214 10 0 CEAERO Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H]2CC(=O)N(C)C2)c1 ZINC000658246135 415280521 /nfs/dbraw/zinc/28/05/21/415280521.db2.gz XYVOYQGHUHOPSA-KBPBESRZSA-N 1 0 260.381 2.432 10 0 CEAERO COc1cc([C@H]2CC[NH2+][C@@H]2C)cc(OC)c1OC ZINC000051954122 175528396 /nfs/dbraw/zinc/52/83/96/175528396.db2.gz BRKIPIFIUODYOQ-KOLCDFICSA-N 1 0 251.326 2.178 10 0 CEAERO CC(C)(C)[NH2+]C[C@@H]1CC[C@H](COc2cccnc2)O1 ZINC000052646701 175536484 /nfs/dbraw/zinc/53/64/84/175536484.db2.gz VHYOPJMJZPQRII-UONOGXRCSA-N 1 0 264.369 2.396 10 0 CEAERO CCC[NH2+]C[C@@H](C)COc1ccc2c(c1)OCO2 ZINC000052648919 175537100 /nfs/dbraw/zinc/53/71/00/175537100.db2.gz SUCQPZKHWGQDBZ-LLVKDONJSA-N 1 0 251.326 2.430 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@@H](C)C1CCC(F)(F)CC1 ZINC000655526396 415327962 /nfs/dbraw/zinc/32/79/62/415327962.db2.gz PTSKQTVXLPERQJ-ONGXEEELSA-N 1 0 262.344 2.444 10 0 CEAERO CC(C)CO[C@H]1C[C@@H]([NH2+]C2CC(CO)C2)C1(C)C ZINC000658357430 415337691 /nfs/dbraw/zinc/33/76/91/415337691.db2.gz UUTFFRMIHKTLQH-PQAZSJQKSA-N 1 0 255.402 2.187 10 0 CEAERO O=C([C@@H]1C[C@H]2C[C@H]2C1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000658941660 415366106 /nfs/dbraw/zinc/36/61/06/415366106.db2.gz LOOWDRLTAUVDIA-IBEHDNSVSA-N 1 0 276.424 2.413 10 0 CEAERO CC1CC(C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)C1 ZINC000658940985 415366843 /nfs/dbraw/zinc/36/68/43/415366843.db2.gz BWRPOTCDCGMXBI-OOJKYFRXSA-N 1 0 264.413 2.413 10 0 CEAERO CC1CC(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)C1 ZINC000658940983 415366851 /nfs/dbraw/zinc/36/68/51/415366851.db2.gz BWRPOTCDCGMXBI-HXSCFSKGSA-N 1 0 264.413 2.413 10 0 CEAERO CCC1CCC(N(C)C(=O)[C@]2(COC)CCC[NH2+]2)CC1 ZINC000659257767 415476173 /nfs/dbraw/zinc/47/61/73/415476173.db2.gz JFXZYKMXBDMLFD-ZBCRRDGASA-N 1 0 282.428 2.182 10 0 CEAERO [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000659362432 415541897 /nfs/dbraw/zinc/54/18/97/415541897.db2.gz ZBTGWJOMYCFBCY-QSLWVIQJSA-N 1 0 250.386 2.056 10 0 CEAERO CC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000659387270 415558392 /nfs/dbraw/zinc/55/83/92/415558392.db2.gz YDFWXZSHANUUPL-ZGHZMMAESA-N 1 0 250.386 2.151 10 0 CEAERO CC[NH2+]Cc1ccc(O[C@H](C)COC)c(OC)c1 ZINC000070375327 175899383 /nfs/dbraw/zinc/89/93/83/175899383.db2.gz WWNRIXMHKABZTJ-LLVKDONJSA-N 1 0 253.342 2.218 10 0 CEAERO C[C@H]1CN(c2nc3sccn3c2CC[NH3+])C[C@H](C)S1 ZINC000070387289 175905398 /nfs/dbraw/zinc/90/53/98/175905398.db2.gz AXSQJNBCCMKXCB-UWVGGRQHSA-N 1 0 296.465 2.227 10 0 CEAERO [NH3+]CCCN(C(=O)[C@H]1COc2ccccc21)C1CCCC1 ZINC000070389405 175906175 /nfs/dbraw/zinc/90/61/75/175906175.db2.gz GCTSESOIXSCZKL-HNNXBMFYSA-N 1 0 288.391 2.283 10 0 CEAERO Cc1nc(NC[C@@H]2CCC[NH2+]C2)cc(-c2ccncc2)n1 ZINC000070456381 175940411 /nfs/dbraw/zinc/94/04/11/175940411.db2.gz LOFKJWNZZHTXMN-CYBMUJFWSA-N 1 0 283.379 2.259 10 0 CEAERO C[C@H](C[C@@](C)(CO)[NH2+]C1CC1)n1cnc2ccccc21 ZINC000070515930 175965212 /nfs/dbraw/zinc/96/52/12/175965212.db2.gz DPXSMZWGFBYFBC-WBMJQRKESA-N 1 0 273.380 2.490 10 0 CEAERO C[NH2+][C@@](CO)(COc1cccc2c1OC(C)(C)C2)C1CC1 ZINC000070518397 175965811 /nfs/dbraw/zinc/96/58/11/175965811.db2.gz NWVOSQPKRLUCIX-KRWDZBQOSA-N 1 0 291.391 2.139 10 0 CEAERO C[C@H](C[C@](C)(CO)[NH2+]C1CC1)OCCOc1ccccc1 ZINC000070517528 175965881 /nfs/dbraw/zinc/96/58/81/175965881.db2.gz DDCXWPSRVTZNQK-RHSMWYFYSA-N 1 0 293.407 2.364 10 0 CEAERO C[NH2+][C@](CO)(COc1cccc2c1OC(C)(C)C2)C1CC1 ZINC000070518398 175965911 /nfs/dbraw/zinc/96/59/11/175965911.db2.gz NWVOSQPKRLUCIX-QGZVFWFLSA-N 1 0 291.391 2.139 10 0 CEAERO C[C@@H](C[NH2+]C1CC1)Cn1ccc(=O)c2ccccc21 ZINC000070527572 175971828 /nfs/dbraw/zinc/97/18/28/175971828.db2.gz ABDHILSOAIQAFF-LBPRGKRZSA-N 1 0 256.349 2.390 10 0 CEAERO COc1ccc([C@@H](O)C[NH2+][C@H]2COc3ccccc32)cc1 ZINC000070529816 175972354 /nfs/dbraw/zinc/97/23/54/175972354.db2.gz CFSGQEISKWUFKO-HOTGVXAUSA-N 1 0 285.343 2.452 10 0 CEAERO C[C@H]1CCCC[C@@H]1N(C)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000070534859 175975074 /nfs/dbraw/zinc/97/50/74/175975074.db2.gz KPSSPNDDULYSQI-IHRRRGAJSA-N 1 0 264.413 2.413 10 0 CEAERO C[C@@H]1CCC[C@@H](CC[NH2+]CC(=O)NCC(F)(F)F)C1 ZINC000070538947 175976249 /nfs/dbraw/zinc/97/62/49/175976249.db2.gz KBFDUCSSIDGFPM-MNOVXSKESA-N 1 0 280.334 2.471 10 0 CEAERO [NH3+][C@H]1CCC[C@@H](C(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000070573519 175988585 /nfs/dbraw/zinc/98/85/85/175988585.db2.gz LUIQKHYWKOAODB-NEPJUHHUSA-N 1 0 290.363 2.304 10 0 CEAERO [NH3+][C@H]1CCC[C@@H](C(=O)Nc2cccc(-c3nnco3)c2)C1 ZINC000070577488 175992964 /nfs/dbraw/zinc/99/29/64/175992964.db2.gz VTWOJOVPSKHOIM-PWSUYJOCSA-N 1 0 286.335 2.193 10 0 CEAERO CCOC(=O)c1ccccc1NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000070577536 175993039 /nfs/dbraw/zinc/99/30/39/175993039.db2.gz XRYZQBBYALACIR-NEPJUHHUSA-N 1 0 290.363 2.319 10 0 CEAERO NC(=S)C1CC[NH+](CCc2cccs2)CC1 ZINC000070664077 176000274 /nfs/dbraw/zinc/00/02/74/176000274.db2.gz FUPHJFAMPRLTST-UHFFFAOYSA-N 1 0 254.424 2.289 10 0 CEAERO CC[NH2+]Cc1csc(N(C)[C@H]2CCSC2)n1 ZINC000070681679 176001475 /nfs/dbraw/zinc/00/14/75/176001475.db2.gz SZZTZNSYZRRWPG-JTQLQIEISA-N 1 0 257.428 2.194 10 0 CEAERO [NH3+]C[C@H](Cn1cc(Br)cn1)c1ccccc1 ZINC000070836363 176008587 /nfs/dbraw/zinc/00/85/87/176008587.db2.gz UTLBUFZFHMSFMM-LLVKDONJSA-N 1 0 280.169 2.388 10 0 CEAERO COc1ccc(C(=O)N(CC[NH3+])C2CCCC2)cc1 ZINC000070943509 176016508 /nfs/dbraw/zinc/01/65/08/176016508.db2.gz RPLMORQLMYCLKC-UHFFFAOYSA-N 1 0 262.353 2.039 10 0 CEAERO Cc1cccc([C@H]2[C@@H]([NH3+])CCC(=O)N2C2CC2)c1C ZINC000070987522 176018340 /nfs/dbraw/zinc/01/83/40/176018340.db2.gz PVLULRGCAKAZKF-HOCLYGCPSA-N 1 0 258.365 2.457 10 0 CEAERO Cc1cccc([C@@H]2[C@@H]([NH3+])CCC(=O)N2C2CC2)c1C ZINC000070987521 176018707 /nfs/dbraw/zinc/01/87/07/176018707.db2.gz PVLULRGCAKAZKF-GOEBONIOSA-N 1 0 258.365 2.457 10 0 CEAERO CC1(CN2CCC[C@@H]([NH2+]C3CC3)C2=O)CCCC1 ZINC000071030976 176022076 /nfs/dbraw/zinc/02/20/76/176022076.db2.gz YSVSOARMDFROLR-CYBMUJFWSA-N 1 0 250.386 2.310 10 0 CEAERO C[NH2+][C@@H]1CCCN([C@@H](C)c2ccccc2F)C1=O ZINC000071031909 176022948 /nfs/dbraw/zinc/02/29/48/176022948.db2.gz FAMDMVXJNLQRSQ-GXFFZTMASA-N 1 0 250.317 2.097 10 0 CEAERO C[C@@H](c1ccc(F)cc1)N1CC[C@H]([NH2+]C2CC2)C1=O ZINC000071032076 176023065 /nfs/dbraw/zinc/02/30/65/176023065.db2.gz AYTXKWMBKAMEGM-HZMBPMFUSA-N 1 0 262.328 2.240 10 0 CEAERO Cc1cccc(OCCN2CCC[C@H]([NH2+]C(C)C)C2=O)c1 ZINC000071031520 176023100 /nfs/dbraw/zinc/02/31/00/176023100.db2.gz CKOSVGBHZWOJEZ-INIZCTEOSA-N 1 0 290.407 2.363 10 0 CEAERO Cc1c(F)cccc1N1CC[C@H]([NH2+]C(C)C)C1=O ZINC000071031637 176023246 /nfs/dbraw/zinc/02/32/46/176023246.db2.gz ZXCZJZHGVHAKHV-LBPRGKRZSA-N 1 0 250.317 2.237 10 0 CEAERO CCC[NH2+][C@H]1CCCN(CCc2ccccc2)C1=O ZINC000071033097 176023459 /nfs/dbraw/zinc/02/34/59/176023459.db2.gz NAVUPUZHBYVHRD-HNNXBMFYSA-N 1 0 260.381 2.220 10 0 CEAERO Cc1ccc([C@H](C)N2CC[C@@H]([NH2+]C(C)C)C2=O)o1 ZINC000071033724 176023996 /nfs/dbraw/zinc/02/39/96/176023996.db2.gz PHFPEFLLAXEUFQ-NWDGAFQWSA-N 1 0 250.342 2.248 10 0 CEAERO CC(C)[NH2+][C@H]1CCN([C@@H](C)c2cccc(F)c2)C1=O ZINC000071034914 176024550 /nfs/dbraw/zinc/02/45/50/176024550.db2.gz CQJKMZGYWNEJSK-FZMZJTMJSA-N 1 0 264.344 2.486 10 0 CEAERO CC[NH2+][C@H]1CCCN([C@H](C)c2sc(C)nc2C)C1=O ZINC000071036228 176025308 /nfs/dbraw/zinc/02/53/08/176025308.db2.gz DJVSWFGSOYADFR-PWSUYJOCSA-N 1 0 281.425 2.421 10 0 CEAERO CCCc1ccccc1N1CC[C@@H]([NH2+]C2CC2)C1=O ZINC000071035333 176025489 /nfs/dbraw/zinc/02/54/89/176025489.db2.gz DPZCEFMFEKTEBV-CQSZACIVSA-N 1 0 258.365 2.496 10 0 CEAERO CCC[NH2+][C@H]1CCCN(C(C2CC2)C2CC2)C1=O ZINC000071037221 176025919 /nfs/dbraw/zinc/02/59/19/176025919.db2.gz ACVWOACRRRAYJV-ZDUSSCGKSA-N 1 0 250.386 2.166 10 0 CEAERO CC(C)[NH2+][C@H]1CCCN([C@@H]2CCOc3ccccc32)C1=O ZINC000071043263 176028955 /nfs/dbraw/zinc/02/89/55/176028955.db2.gz JJMZANOLPMZQLW-LSDHHAIUSA-N 1 0 288.391 2.499 10 0 CEAERO c1ccc2c(c1)CCO[C@@H]2COCC1CC[NH2+]CC1 ZINC000071091869 176032020 /nfs/dbraw/zinc/03/20/20/176032020.db2.gz VZEHANVTUOUUFB-MRXNPFEDSA-N 1 0 261.365 2.317 10 0 CEAERO CC[C@H]1CCC[C@](C[NH3+])(N2CCOC(C)(C)C2)C1 ZINC000071123453 176035176 /nfs/dbraw/zinc/03/51/76/176035176.db2.gz KMTLUNOVMSXAMQ-ZFWWWQNUSA-N 1 0 254.418 2.395 10 0 CEAERO CC[C@@H]1CCC[C@H](Oc2c(C(N)=[NH2+])c(C)nn2C)C1 ZINC000071132590 176035962 /nfs/dbraw/zinc/03/59/62/176035962.db2.gz GQCHEKSCPPSZIQ-MNOVXSKESA-N 1 0 264.373 2.360 10 0 CEAERO CC[NH2+][C@@H](c1ccc2c(c1)C(=O)N(C)C(=O)C2)C1CCC1 ZINC000071139495 176037947 /nfs/dbraw/zinc/03/79/47/176037947.db2.gz HUIAASBXGWBFII-MRXNPFEDSA-N 1 0 286.375 2.292 10 0 CEAERO CC[NH2+][C@@H](c1ccc2c(c1)C(=O)N(C)C(=O)C2)[C@@H]1C[C@@H]1C ZINC000071139491 176038164 /nfs/dbraw/zinc/03/81/64/176038164.db2.gz MJEICDWFECGDKZ-WNMQOVRZSA-N 1 0 286.375 2.148 10 0 CEAERO C[NH2+]C[C@H]1CCN([C@@H](C)c2ccc(OC)cc2OC)C1 ZINC000071142363 176039903 /nfs/dbraw/zinc/03/99/03/176039903.db2.gz YFTCOZCMVLWMCU-QWHCGFSZSA-N 1 0 278.396 2.306 10 0 CEAERO C[NH2+]C[C@H]1CCN(C(=O)c2cc(Cl)cn2C(C)C)C1 ZINC000071142807 176040646 /nfs/dbraw/zinc/04/06/46/176040646.db2.gz ZMZPSDQFKQTRKT-LLVKDONJSA-N 1 0 283.803 2.404 10 0 CEAERO CC[C@H]1CCCC[C@]1(CN)[N@H+](CCCOC)CCOC ZINC000071161922 176046377 /nfs/dbraw/zinc/04/63/77/176046377.db2.gz KNSRLTBGGHZJBT-JKSUJKDBSA-N 1 0 286.460 2.269 10 0 CEAERO [NH3+]C[C@H](Oc1cc(F)ccc1F)c1cccnc1 ZINC000071167303 176049594 /nfs/dbraw/zinc/04/95/94/176049594.db2.gz CEPIZYDJAPJLQX-ZDUSSCGKSA-N 1 0 250.248 2.439 10 0 CEAERO COc1ccc(C[C@@](C)(C[NH3+])N(C)C[C@@H]2CCCO2)cc1 ZINC000071169179 176049701 /nfs/dbraw/zinc/04/97/01/176049701.db2.gz DFFNTAVSQZWSES-IRXDYDNUSA-N 1 0 292.423 2.066 10 0 CEAERO CCn1cc(C[C@](C)([NH3+])Cc2ccc(OC)cc2)cn1 ZINC000071169459 176050649 /nfs/dbraw/zinc/05/06/49/176050649.db2.gz RJPHAHNYZYUHNK-MRXNPFEDSA-N 1 0 273.380 2.414 10 0 CEAERO CC(C)(C)c1ccccc1NS(=O)(=O)C1CC[NH2+]CC1 ZINC000071174642 176054237 /nfs/dbraw/zinc/05/42/37/176054237.db2.gz YMYZDNFTGOVENM-UHFFFAOYSA-N 1 0 296.436 2.478 10 0 CEAERO CC(C)Oc1cncc(N[C@@H]2CCCCC[C@@H]2[NH3+])n1 ZINC000071176210 176054916 /nfs/dbraw/zinc/05/49/16/176054916.db2.gz SDDXOKRKHQLEBB-NWDGAFQWSA-N 1 0 264.373 2.336 10 0 CEAERO CC(C)N(Cc1cccs1)c1cnc(C[NH3+])cn1 ZINC000071177933 176055519 /nfs/dbraw/zinc/05/55/19/176055519.db2.gz YRIDWEVACMZYAR-UHFFFAOYSA-N 1 0 262.382 2.412 10 0 CEAERO C[C@H]([NH3+])c1ccc2ccccc2c1O[C@@H]1CCN(C)C1=O ZINC000071182980 176058092 /nfs/dbraw/zinc/05/80/92/176058092.db2.gz PGWOZFRWLPUNGT-XHDPSFHLSA-N 1 0 284.359 2.469 10 0 CEAERO C[C@@H]([NH3+])c1ccc2ccccc2c1O[C@@H]1CCN(C)C1=O ZINC000071182981 176058143 /nfs/dbraw/zinc/05/81/43/176058143.db2.gz PGWOZFRWLPUNGT-IAQYHMDHSA-N 1 0 284.359 2.469 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccccc1O[C@@H]1CCN(C)C1=O ZINC000071182920 176058279 /nfs/dbraw/zinc/05/82/79/176058279.db2.gz XKAZORDIQJVQPS-SWLSCSKDSA-N 1 0 276.380 2.357 10 0 CEAERO Cc1ccc(O[C@@H]2CCN(C)C2=O)c(C[NH2+]CC(C)C)c1 ZINC000071183246 176058720 /nfs/dbraw/zinc/05/87/20/176058720.db2.gz LZRBXJZZSBMEIB-MRXNPFEDSA-N 1 0 290.407 2.350 10 0 CEAERO CN1CC[C@@H](C[N@H+](C)CCC(=O)c2ccc(F)cc2)C1 ZINC000071189854 176065524 /nfs/dbraw/zinc/06/55/24/176065524.db2.gz PCGKUXKFTDNTSQ-CYBMUJFWSA-N 1 0 278.371 2.282 10 0 CEAERO C[C@H](O)c1cccc(NC(=O)N(C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000071193043 176075588 /nfs/dbraw/zinc/07/55/88/176075588.db2.gz YBLXOLZSJXERQH-QWHCGFSZSA-N 1 0 291.395 2.155 10 0 CEAERO COc1cc([C@@H]2C[NH2+][C@@H](C)C2)cc(OC)c1OC ZINC000071202251 176078173 /nfs/dbraw/zinc/07/81/73/176078173.db2.gz IIWSCBHKLPZPDT-ONGXEEELSA-N 1 0 251.326 2.178 10 0 CEAERO C[C@H]1CCC[C@@H]1[NH2+][C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000071207039 176080578 /nfs/dbraw/zinc/08/05/78/176080578.db2.gz LQCRLCZCYSJLSB-FPMFFAJLSA-N 1 0 272.348 2.097 10 0 CEAERO COC[C@H](O)C[NH2+][C@@H](C)c1c(C)cc(C)cc1C ZINC000071266135 176099759 /nfs/dbraw/zinc/09/97/59/176099759.db2.gz HOINHHQPJHLTPQ-UONOGXRCSA-N 1 0 251.370 2.270 10 0 CEAERO COc1ccc([C@H]2C[NH2+]C[C@@H](C3CC3)O2)cc1OC ZINC000071308854 176116534 /nfs/dbraw/zinc/11/65/34/176116534.db2.gz QAVZBLLPYGUBNF-LSDHHAIUSA-N 1 0 263.337 2.143 10 0 CEAERO CN(Cc1nnc(-c2ccc(Cl)cc2)o1)[C@H]1CC[NH2+]C1 ZINC000071310794 176117924 /nfs/dbraw/zinc/11/79/24/176117924.db2.gz PSPHPDCMTVDVMA-LBPRGKRZSA-N 1 0 292.770 2.184 10 0 CEAERO CCN(Cc1ccc2c(c1)OCCCO2)[C@H]1CC[NH2+]C1 ZINC000071312312 176119326 /nfs/dbraw/zinc/11/93/26/176119326.db2.gz JFFPULVVFOZSCF-AWEZNQCLSA-N 1 0 276.380 2.032 10 0 CEAERO CCN(Cc1ccc2ccccc2n1)[C@@H]1CC[NH2+]C1 ZINC000071314002 176120450 /nfs/dbraw/zinc/12/04/50/176120450.db2.gz JTDUYPKSFQLCTC-OAHLLOKOSA-N 1 0 255.365 2.419 10 0 CEAERO CCCN(Cc1ccc2c(c1)OCCCO2)[C@@H]1CC[NH2+]C1 ZINC000071314870 176121191 /nfs/dbraw/zinc/12/11/91/176121191.db2.gz UIISZUGATUAGHZ-OAHLLOKOSA-N 1 0 290.407 2.422 10 0 CEAERO CCN(c1ccc(C(F)(F)F)cn1)[C@H]1CC[NH2+]C1 ZINC000071314453 176121200 /nfs/dbraw/zinc/12/12/00/176121200.db2.gz OMHZARPUKIQBFF-JTQLQIEISA-N 1 0 259.275 2.289 10 0 CEAERO CCCN(Cc1noc(-c2cccs2)n1)[C@@H]1CC[NH2+]C1 ZINC000071331120 176124912 /nfs/dbraw/zinc/12/49/12/176124912.db2.gz WMJFIYQUJITOSP-LLVKDONJSA-N 1 0 292.408 2.372 10 0 CEAERO Cc1ccc(C(=O)NC[C@H]2[NH2+]CCC[C@@H]2C)cc1F ZINC000071338546 176128774 /nfs/dbraw/zinc/12/87/74/176128774.db2.gz LQOKMHUHWXDXFQ-SMDDNHRTSA-N 1 0 264.344 2.252 10 0 CEAERO Cc1nccn1CCN1C[C@H](C(C)C)[NH2+]C[C@@]1(C)C1CC1 ZINC000071342146 176130445 /nfs/dbraw/zinc/13/04/45/176130445.db2.gz UZRHJYYZTAADGV-SJORKVTESA-N 1 0 290.455 2.290 10 0 CEAERO CC(C)C[C@H]1CNC(C)(C)C[N@@H+]1CCCn1ccnc1 ZINC000071342689 176130563 /nfs/dbraw/zinc/13/05/63/176130563.db2.gz NJYVVWBNYCSRDK-HNNXBMFYSA-N 1 0 278.444 2.372 10 0 CEAERO Cc1nccn1CC[N@H+]1CC(C)(C)NC[C@H]1CC(C)C ZINC000071342721 176130680 /nfs/dbraw/zinc/13/06/80/176130680.db2.gz BMHQAZALJHXTFC-OAHLLOKOSA-N 1 0 278.444 2.290 10 0 CEAERO CC[C@H]1CN(CCOCCOC)[C@H](c2ccccc2)C[NH2+]1 ZINC000071344441 176131170 /nfs/dbraw/zinc/13/11/70/176131170.db2.gz QASNUKWIVTZPMA-IRXDYDNUSA-N 1 0 292.423 2.075 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1Cc1cnn(C)c1 ZINC000071346803 176131818 /nfs/dbraw/zinc/13/18/18/176131818.db2.gz GAPYWZPNRYCAOK-HUUCEWRRSA-N 1 0 278.444 2.409 10 0 CEAERO CC(C)[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1Cc1ncccn1 ZINC000071347012 176132235 /nfs/dbraw/zinc/13/22/35/176132235.db2.gz IFUJAWASHHVNLO-ZIAGYGMSSA-N 1 0 276.428 2.321 10 0 CEAERO Cn1cc(CN2C[C@H](C(C)(C)C)[NH2+]C[C@@]2(C)C2CC2)cn1 ZINC000071349233 176133010 /nfs/dbraw/zinc/13/30/10/176133010.db2.gz AKOVFSLJRZPCPX-WBVHZDCISA-N 1 0 290.455 2.409 10 0 CEAERO COCC[N@@H+]1C[C@H](C(C)(C)C)NCC12CCCC2 ZINC000071348956 176133038 /nfs/dbraw/zinc/13/30/38/176133038.db2.gz VVJMSSLTAXRJLF-CYBMUJFWSA-N 1 0 254.418 2.266 10 0 CEAERO CCC[C@H]1C[NH2+][C@@H](CC(C)C)CN1Cc1cnn(C)c1 ZINC000071350483 176133714 /nfs/dbraw/zinc/13/37/14/176133714.db2.gz ZGYZMKCHCWJRQY-HOTGVXAUSA-N 1 0 278.444 2.409 10 0 CEAERO CC(C)C[C@H]1C[N@H+](CC2CCOCC2)[C@@H](C)CN1 ZINC000071349692 176133949 /nfs/dbraw/zinc/13/39/49/176133949.db2.gz YWPDBOOBDASSGH-ZFWWWQNUSA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@]1(C)C[NH2+][C@@H](CC(C)C)CN1Cc1cnn(C)c1 ZINC000071351943 176134768 /nfs/dbraw/zinc/13/47/68/176134768.db2.gz VRVHYBLYYQYKHR-JKSUJKDBSA-N 1 0 278.444 2.409 10 0 CEAERO C[C@@H]1CCCC[C@@H]1[N@H+](C)CCCn1ccc(N)n1 ZINC000071352343 176135189 /nfs/dbraw/zinc/13/51/89/176135189.db2.gz ODFWGGYCZLFLNW-OLZOCXBDSA-N 1 0 250.390 2.366 10 0 CEAERO C[C@H]1CN[C@H](Cc2ccccc2)C[N@@H+]1CC1CCOCC1 ZINC000071352619 176135636 /nfs/dbraw/zinc/13/56/36/176135636.db2.gz BVMBQWHECBSQFX-MAUKXSAKSA-N 1 0 288.435 2.318 10 0 CEAERO CC[C@H](C)[C@@H]1CN(Cc2cnn(C)c2)[C@@](C)(CC)C[NH2+]1 ZINC000071355983 176137018 /nfs/dbraw/zinc/13/70/18/176137018.db2.gz PQZOIIKNRLTONW-BPUTZDHNSA-N 1 0 278.444 2.409 10 0 CEAERO CC[C@@H](C)[C@H]1C[NH2+][C@@](C)(CC)CN1Cc1cnn(C)c1 ZINC000071357190 176137676 /nfs/dbraw/zinc/13/76/76/176137676.db2.gz SLCUDJFXRNLFLD-BMFZPTHFSA-N 1 0 278.444 2.409 10 0 CEAERO CC[C@]1(C)CN(Cc2cnn(C)c2)[C@H](C(C)(C)C)C[NH2+]1 ZINC000071357446 176137891 /nfs/dbraw/zinc/13/78/91/176137891.db2.gz YKACGGBETZDPTD-GOEBONIOSA-N 1 0 278.444 2.409 10 0 CEAERO CC(C)(C)OC(=O)NC[C@@H](CC[NH3+])C(F)(F)F ZINC000071373345 176138795 /nfs/dbraw/zinc/13/87/95/176138795.db2.gz XFWHPFFSYDMEOE-SSDOTTSWSA-N 1 0 256.268 2.038 10 0 CEAERO CCn1c(C[NH3+])nnc1SCc1cccnc1Cl ZINC000071375044 176140485 /nfs/dbraw/zinc/14/04/85/176140485.db2.gz WLBFIMVYVLUWRI-UHFFFAOYSA-N 1 0 283.788 2.097 10 0 CEAERO CCC[N@H+](CCn1ccc(N)n1)Cc1ccccc1 ZINC000071377926 176143046 /nfs/dbraw/zinc/14/30/46/176143046.db2.gz XBPAVCXYYCQISA-UHFFFAOYSA-N 1 0 258.369 2.378 10 0 CEAERO Cc1ccc(C(N)=S)c(NCC[N@@H+](C)C2CCCC2)n1 ZINC000071379306 176143632 /nfs/dbraw/zinc/14/36/32/176143632.db2.gz LLFASTARAQBGLP-UHFFFAOYSA-N 1 0 292.452 2.311 10 0 CEAERO CC[C@@H]1CCC[C@H]([NH+]2CCN(CC(C)(C)O)CC2)C1 ZINC000071382254 176145803 /nfs/dbraw/zinc/14/58/03/176145803.db2.gz YFLMLAQMBIOVSL-CABCVRRESA-N 1 0 268.445 2.344 10 0 CEAERO CC[C@@H]1CCCC[C@H]1[NH+]1CCN(CC(C)(C)O)CC1 ZINC000071382203 176145867 /nfs/dbraw/zinc/14/58/67/176145867.db2.gz DCKQOISRRCKINQ-HUUCEWRRSA-N 1 0 268.445 2.344 10 0 CEAERO NC(=O)c1cc2ccccc2nc1NC1(C[NH3+])CCCC1 ZINC000071386180 176147546 /nfs/dbraw/zinc/14/75/46/176147546.db2.gz IOLFKRGDOUNSSE-UHFFFAOYSA-N 1 0 284.363 2.017 10 0 CEAERO NC(=[NH2+])c1cc2ccccc2nc1OCC(F)(F)F ZINC000071390310 176148404 /nfs/dbraw/zinc/14/84/04/176148404.db2.gz YNRSBHMPDQLRQY-UHFFFAOYSA-N 1 0 269.226 2.460 10 0 CEAERO Cc1noc(COc2ccc(C[NH3+])cc2C(F)(F)F)n1 ZINC000071398314 176151855 /nfs/dbraw/zinc/15/18/55/176151855.db2.gz MDXNZYUDXPYAOM-UHFFFAOYSA-N 1 0 287.241 2.435 10 0 CEAERO [NH3+][C@@H](CCC(=O)N(CCO)C1CCCC1)c1ccccc1 ZINC000071400830 176153144 /nfs/dbraw/zinc/15/31/44/176153144.db2.gz VZGYQXFPGGPQHM-INIZCTEOSA-N 1 0 290.407 2.230 10 0 CEAERO C[NH2+]Cc1cc(C)ccc1O[C@@H](C)C(=O)N1CCCC1 ZINC000071403658 176154816 /nfs/dbraw/zinc/15/48/16/176154816.db2.gz MCHHFQKXQDXBNT-ZDUSSCGKSA-N 1 0 276.380 2.104 10 0 CEAERO CCNC(=O)CCOc1ccc(C)cc1C[NH2+]CC ZINC000071403881 176155545 /nfs/dbraw/zinc/15/55/45/176155545.db2.gz ZYFIZSMRWNRGMV-UHFFFAOYSA-N 1 0 264.369 2.010 10 0 CEAERO CCC[NH2+]Cc1cc(C)ccc1OCC(=O)N(C)C1CC1 ZINC000071406184 176155865 /nfs/dbraw/zinc/15/58/65/176155865.db2.gz JTRLYROWKXFNEL-UHFFFAOYSA-N 1 0 290.407 2.494 10 0 CEAERO CC[NH2+]Cc1cc(C)ccc1O[C@H](C)C(=O)NC(C)C ZINC000071406061 176156034 /nfs/dbraw/zinc/15/60/34/176156034.db2.gz VWHAVWJPXFMHRV-CYBMUJFWSA-N 1 0 278.396 2.396 10 0 CEAERO CC[C@H](C)NC(=O)COc1ccc(C)cc1C[C@H](C)[NH3+] ZINC000071411856 176157345 /nfs/dbraw/zinc/15/73/45/176157345.db2.gz HZQXLDZHWLQDSB-STQMWFEESA-N 1 0 278.396 2.178 10 0 CEAERO Cc1ccc(OCC(=O)N(C)C(C)C)c(C[C@H](C)[NH3+])c1 ZINC000071412034 176157365 /nfs/dbraw/zinc/15/73/65/176157365.db2.gz SCWJLYONKJASMP-ZDUSSCGKSA-N 1 0 278.396 2.130 10 0 CEAERO CC[C@H]([NH3+])Cc1cc(C)ccc1O[C@@H](C)C(=O)N(C)C ZINC000071412101 176157407 /nfs/dbraw/zinc/15/74/07/176157407.db2.gz SACJRBOGDJOYLU-JSGCOSHPSA-N 1 0 278.396 2.130 10 0 CEAERO CC[NH+](CC)CCn1c2ccccc2nc1CN(C)C ZINC000071502872 176192835 /nfs/dbraw/zinc/19/28/35/176192835.db2.gz JDTLVNOWVIGBGC-UHFFFAOYSA-N 1 0 274.412 2.440 10 0 CEAERO Cc1cc(Br)ccc1-n1cc(C[NH3+])cn1 ZINC000071598298 176222188 /nfs/dbraw/zinc/22/21/88/176222188.db2.gz UZIRFMZOGDZAEQ-UHFFFAOYSA-N 1 0 266.142 2.402 10 0 CEAERO Brc1cccc(CC[C@@H]2COCC[NH2+]2)c1 ZINC000071601291 176228054 /nfs/dbraw/zinc/22/80/54/176228054.db2.gz SIKCRMOQHUNADQ-GFCCVEGCSA-N 1 0 270.170 2.370 10 0 CEAERO O=C(CSCc1ccccc1Cl)N1CC[NH2+]CC1 ZINC000071641950 176239078 /nfs/dbraw/zinc/23/90/78/176239078.db2.gz AMANVXBAIHVLHD-UHFFFAOYSA-N 1 0 284.812 2.005 10 0 CEAERO COc1ccc([C@@H]2Cc3n[nH]cc3[C@H]([NH3+])C2)c(OC)c1 ZINC000072415368 176399714 /nfs/dbraw/zinc/39/97/14/176399714.db2.gz APDCQNAHPISFBL-TVQRCGJNSA-N 1 0 273.336 2.157 10 0 CEAERO CC[C@H]([NH2+]C)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000662368121 415806987 /nfs/dbraw/zinc/80/69/87/415806987.db2.gz KRBPMSKHMORKSC-AEJSXWLSSA-N 1 0 266.307 2.222 10 0 CEAERO CC[C@@H]([NH2+]C)C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000662368341 415808508 /nfs/dbraw/zinc/80/85/08/415808508.db2.gz PRCIKSUQNVRVOP-UDNWOFFPSA-N 1 0 266.307 2.222 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H]1CCCC2(CC2)C1 ZINC000662560846 415886593 /nfs/dbraw/zinc/88/65/93/415886593.db2.gz IDMCFCSMXUDFEG-YNEHKIRRSA-N 1 0 250.386 2.214 10 0 CEAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CCC[C@@H](C3CCC3)C2)C1 ZINC000662715718 415941788 /nfs/dbraw/zinc/94/17/88/415941788.db2.gz PDDXMOKMLANDKY-BFHYXJOUSA-N 1 0 250.386 2.153 10 0 CEAERO CC(=O)c1cccc(N(C)C(=O)CC[NH2+]C(C)C)c1 ZINC000076355366 176998604 /nfs/dbraw/zinc/99/86/04/176998604.db2.gz SMTSRFWODNYTNC-UHFFFAOYSA-N 1 0 262.353 2.240 10 0 CEAERO CN(CC[NH3+])CCCc1ccc(Br)cc1 ZINC000076409618 177019862 /nfs/dbraw/zinc/01/98/62/177019862.db2.gz RLJGPSAFSPKURN-UHFFFAOYSA-N 1 0 271.202 2.272 10 0 CEAERO COc1ccc(Br)cc1N1CCC[NH2+]CC1 ZINC000076493918 177028727 /nfs/dbraw/zinc/02/87/27/177028727.db2.gz UYXORANUWRNAMG-UHFFFAOYSA-N 1 0 285.185 2.257 10 0 CEAERO COc1ccccc1OC[C@@H](C[NH3+])c1cccnc1 ZINC000076666163 177050945 /nfs/dbraw/zinc/05/09/45/177050945.db2.gz VRWGPWIEZITDPS-CYBMUJFWSA-N 1 0 258.321 2.212 10 0 CEAERO CCN(CC)CC[NH2+]CC[C@@H](O)c1ccccc1 ZINC000076746435 177083147 /nfs/dbraw/zinc/08/31/47/177083147.db2.gz QLGDETUZIVIIKU-OAHLLOKOSA-N 1 0 250.386 2.042 10 0 CEAERO C[NH2+][C@@H](C)c1cn2c(cccc2Br)n1 ZINC000076792316 177097184 /nfs/dbraw/zinc/09/71/84/177097184.db2.gz YGNPXBPXJHTPNR-ZETCQYMHSA-N 1 0 254.131 2.377 10 0 CEAERO CC(C)(C)OC[C@@H](O)C[NH2+][C@@](C)(CO)C1CCCCC1 ZINC000077656073 177291336 /nfs/dbraw/zinc/29/13/36/177291336.db2.gz LIVPVRWEUBXQLS-HOCLYGCPSA-N 1 0 287.444 2.083 10 0 CEAERO COc1ccc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1 ZINC000078614324 177360361 /nfs/dbraw/zinc/36/03/61/177360361.db2.gz YRECOUKZGJJSKE-CQSZACIVSA-N 1 0 278.396 2.401 10 0 CEAERO COCCN(Cc1ccccc1)C(=O)CC[C@@H](C)CC[NH3+] ZINC000079118189 177436142 /nfs/dbraw/zinc/43/61/42/177436142.db2.gz RVNWEIGFANDMQI-OAHLLOKOSA-N 1 0 292.423 2.427 10 0 CEAERO CCC(CC)N(CCOC)C(=O)CC[C@H](C)CC[NH3+] ZINC000079118535 177436154 /nfs/dbraw/zinc/43/61/54/177436154.db2.gz ISSLSFPRLFBDHI-ZDUSSCGKSA-N 1 0 272.433 2.415 10 0 CEAERO COc1cccc(CNC(=O)CC[C@H](C)CC[NH3+])c1 ZINC000079117957 177436456 /nfs/dbraw/zinc/43/64/56/177436456.db2.gz RTBLPYOCABJOJO-LBPRGKRZSA-N 1 0 264.369 2.077 10 0 CEAERO CC[C@H](CC[NH3+])CCC(=O)N(C[C@H]1CCOC1)C1CC1 ZINC000079210847 177447252 /nfs/dbraw/zinc/44/72/52/177447252.db2.gz IRBOUXUXTQRPAE-UONOGXRCSA-N 1 0 282.428 2.169 10 0 CEAERO CCCCN(CCO)C(=O)CC[C@H](CCC)CC[NH3+] ZINC000079238276 177453126 /nfs/dbraw/zinc/45/31/26/177453126.db2.gz XDMKAJSCQQINSH-AWEZNQCLSA-N 1 0 272.433 2.153 10 0 CEAERO CC(C)[C@H](CC[NH3+])CCC(=O)NCc1ccncc1 ZINC000079254677 177459592 /nfs/dbraw/zinc/45/95/92/177459592.db2.gz GLASOZZVCDPDCY-AWEZNQCLSA-N 1 0 263.385 2.099 10 0 CEAERO CC(C)(C)[C@H](CC[NH3+])CCC(=O)NCC[C@H]1CCCO1 ZINC000079291554 177464692 /nfs/dbraw/zinc/46/46/92/177464692.db2.gz GYNUATUOBHTNHU-UONOGXRCSA-N 1 0 284.444 2.463 10 0 CEAERO Cc1cc(CNC(=O)CC[C@@H](CC[NH3+])C(C)(C)C)no1 ZINC000079293020 177465476 /nfs/dbraw/zinc/46/54/76/177465476.db2.gz UNJPSSOJCITPBK-LBPRGKRZSA-N 1 0 281.400 2.391 10 0 CEAERO CCC[C@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000079340252 177469483 /nfs/dbraw/zinc/46/94/83/177469483.db2.gz NYBGOMKFYWQNDU-UONOGXRCSA-N 1 0 252.402 2.415 10 0 CEAERO Cc1nnc2c(Nc3ccccc3[C@@H](C)[NH3+])nccn12 ZINC000079475519 177497780 /nfs/dbraw/zinc/49/77/80/177497780.db2.gz OIVPGGAXWMOENH-SECBINFHSA-N 1 0 268.324 2.196 10 0 CEAERO CC1(C)CCC(NS(=O)(=O)c2cccc(C[NH3+])c2)CC1 ZINC000079677412 177535414 /nfs/dbraw/zinc/53/54/14/177535414.db2.gz DUNHYECHUQGUPE-UHFFFAOYSA-N 1 0 296.436 2.392 10 0 CEAERO CC1(C)CCC(NC(=O)CCOC2CC[NH2+]CC2)CC1 ZINC000079677739 177536605 /nfs/dbraw/zinc/53/66/05/177536605.db2.gz PAJKPZWTWCIXPF-UHFFFAOYSA-N 1 0 282.428 2.230 10 0 CEAERO NC(=[NH2+])c1cccc(CNC(=O)Nc2ccccc2F)c1 ZINC000079777466 177556542 /nfs/dbraw/zinc/55/65/42/177556542.db2.gz PJGWUNMVOYANQB-UHFFFAOYSA-N 1 0 286.310 2.431 10 0 CEAERO CCCN(CC(N)=[NH2+])C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000079779081 177557165 /nfs/dbraw/zinc/55/71/65/177557165.db2.gz KFTBEHKRWARSRC-UHFFFAOYSA-N 1 0 292.427 2.313 10 0 CEAERO CCC[C@H](NC(=O)Nc1ccc(F)cc1F)C(N)=[NH2+] ZINC000079779798 177557622 /nfs/dbraw/zinc/55/76/22/177557622.db2.gz AEIUOXOBSQTFTK-JTQLQIEISA-N 1 0 270.283 2.191 10 0 CEAERO CCC(CC)(NS(=O)(=O)c1ccc(C)cc1C)C(N)=[NH2+] ZINC000079786758 177559159 /nfs/dbraw/zinc/55/91/59/177559159.db2.gz VRCWPLXUFACUQI-UHFFFAOYSA-N 1 0 297.424 2.077 10 0 CEAERO CCC[C@H](C[NH3+])NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000079868609 177572966 /nfs/dbraw/zinc/57/29/66/177572966.db2.gz PRINHDYAXQJKPT-MHCOZEDOSA-N 1 0 279.428 2.382 10 0 CEAERO CC(C)(C)C1CCC([NH2+]C[C@H]2CCC(=O)N2)CC1 ZINC000079928952 177582049 /nfs/dbraw/zinc/58/20/49/177582049.db2.gz DNGJUWPZQNWHRD-WXRRBKDZSA-N 1 0 252.402 2.460 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCC2(CC2(F)F)CC1 ZINC000405110004 419401844 /nfs/dbraw/zinc/40/18/44/419401844.db2.gz MVDUGNKHLXRHOD-GHMZBOCLSA-N 1 0 272.339 2.009 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000136365587 419445015 /nfs/dbraw/zinc/44/50/15/419445015.db2.gz YCRBMYAYKYYQMH-UWVGGRQHSA-N 1 0 266.307 2.161 10 0 CEAERO CCC(=O)Nc1ccc(NC(=O)C[C@H]([NH3+])C(C)C)cc1 ZINC000136347954 419445085 /nfs/dbraw/zinc/44/50/85/419445085.db2.gz YCSOGHXPSHYIHB-ZDUSSCGKSA-N 1 0 277.368 2.347 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)CCOc1ccccc1F ZINC000136380654 419446032 /nfs/dbraw/zinc/44/60/32/419446032.db2.gz PZUVNALMKVRMAL-ZDUSSCGKSA-N 1 0 282.359 2.036 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)N1CCC(C(F)(F)F)CC1 ZINC000136478038 419448592 /nfs/dbraw/zinc/44/85/92/419448592.db2.gz MMKJCMQZFAKQCL-SNVBAGLBSA-N 1 0 266.307 2.161 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000136431602 419448788 /nfs/dbraw/zinc/44/87/88/419448788.db2.gz QAPRFTSZSCFHQG-CQSZACIVSA-N 1 0 289.379 2.125 10 0 CEAERO COCc1nc(C[NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)cs1 ZINC000666429313 419665429 /nfs/dbraw/zinc/66/54/29/419665429.db2.gz PKVCKTHNPNILBB-AXFHLTTASA-N 1 0 270.398 2.193 10 0 CEAERO C[C@@H]([NH2+]CC(=O)NC1CC1)c1ccc(Cl)s1 ZINC000035247480 270224884 /nfs/dbraw/zinc/22/48/84/270224884.db2.gz MMCBSBAZOLLERP-SSDOTTSWSA-N 1 0 258.774 2.331 10 0 CEAERO CN1c2ccccc2[C@H](NC[C@H]2CCC[N@H+](C)C2)CC1=O ZINC000044532957 270229456 /nfs/dbraw/zinc/22/94/56/270229456.db2.gz AYIWNZONIAVUDA-UKRRQHHQSA-N 1 0 287.407 2.026 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCc2ccc(F)cc2)C1 ZINC000194311048 270295694 /nfs/dbraw/zinc/29/56/94/270295694.db2.gz LNFRFBZNCTUHTL-OAHLLOKOSA-N 1 0 293.386 2.152 10 0 CEAERO O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CCN(CCc2ccccc2)C1 ZINC000227065659 270310829 /nfs/dbraw/zinc/31/08/29/270310829.db2.gz XHIFXIVXVUAINX-RCCFBDPRSA-N 1 0 288.435 2.054 10 0 CEAERO C[C@H](CC[NH2+]C1CCC(O)CC1)NC(=O)OC(C)(C)C ZINC000227668893 270311567 /nfs/dbraw/zinc/31/15/67/270311567.db2.gz PQQYVUABJZTBLQ-PNESKVBLSA-N 1 0 286.416 2.183 10 0 CEAERO CCCCOC[C@H](O)C[NH2+]CCc1cccc(F)c1 ZINC000227889014 270312007 /nfs/dbraw/zinc/31/20/07/270312007.db2.gz VZQVTJXJRBMNQP-OAHLLOKOSA-N 1 0 269.360 2.135 10 0 CEAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@@H]2C)s1 ZINC000393033506 270341263 /nfs/dbraw/zinc/34/12/63/270341263.db2.gz WTAGIDDYULUFBG-OUAUKWLOSA-N 1 0 252.383 2.374 10 0 CEAERO Cn1cc(C[NH2+]C(C)(C)CCNC(=O)OC(C)(C)C)cn1 ZINC000397466150 270353930 /nfs/dbraw/zinc/35/39/30/270353930.db2.gz ZPHVAWITOGCNBE-UHFFFAOYSA-N 1 0 296.415 2.203 10 0 CEAERO C[C@@H](NC(=O)[C@@H]([NH3+])C1CCC1)c1ccc(F)c(F)c1 ZINC000398968269 270364908 /nfs/dbraw/zinc/36/49/08/270364908.db2.gz SWAWOFRMETZWRL-OQPBUACISA-N 1 0 268.307 2.269 10 0 CEAERO CCCCN(CCCC)C(=O)C[N@@H+]1C[C@H](O)CC[C@H]1C ZINC000399458845 270369970 /nfs/dbraw/zinc/36/99/70/270369970.db2.gz JBIYOMNVIHPRIY-HUUCEWRRSA-N 1 0 284.444 2.260 10 0 CEAERO CC(C)[C@H](C(=O)N[C@H](C)COCc1ccccc1)[C@H](C)[NH3+] ZINC000399593975 270370992 /nfs/dbraw/zinc/37/09/92/270370992.db2.gz RRYCRAPSFHUGGK-YCPHGPKFSA-N 1 0 292.423 2.327 10 0 CEAERO CC1(C)CN(c2cc(Br)ccn2)CC[C@@H]1[NH3+] ZINC000334995841 273584898 /nfs/dbraw/zinc/58/48/98/273584898.db2.gz MWPWLHQQCWXMKI-JTQLQIEISA-N 1 0 284.201 2.408 10 0 CEAERO C[C@@H]1CN(c2cc(C(F)(F)F)ccn2)CC[C@H]1[NH3+] ZINC000251640889 274361524 /nfs/dbraw/zinc/36/15/24/274361524.db2.gz FXWVOSCQHHKCID-PSASIEDQSA-N 1 0 259.275 2.274 10 0 CEAERO C[C@@H]1CN(c2cncc(Br)c2)CC[C@H]1[NH3+] ZINC000261536446 274367073 /nfs/dbraw/zinc/36/70/73/274367073.db2.gz RSURMPLYISPCQH-LDYMZIIASA-N 1 0 270.174 2.018 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccccc1C(F)(F)F ZINC000111272587 274378194 /nfs/dbraw/zinc/37/81/94/274378194.db2.gz NMQAFAMCBAFJPY-MWLCHTKSSA-N 1 0 286.297 2.177 10 0 CEAERO O=C(COC1CC[NH2+]CC1)N1CCC[C@H]1c1ccccc1 ZINC000111795330 274976371 /nfs/dbraw/zinc/97/63/71/274976371.db2.gz ICNXMGWYFKOLRE-INIZCTEOSA-N 1 0 288.391 2.119 10 0 CEAERO CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000311975100 275701964 /nfs/dbraw/zinc/70/19/64/275701964.db2.gz RPZFSZFGLQFRFZ-KKUMJFAQSA-N 1 0 265.401 2.048 10 0 CEAERO CC1(C)CCC[NH2+][C@H]1C(=O)N[C@H]1CCOc2ccccc21 ZINC000232946850 275816689 /nfs/dbraw/zinc/81/66/89/275816689.db2.gz AAKVQDQTWUXJCF-ZFWWWQNUSA-N 1 0 288.391 2.405 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000096032660 275825749 /nfs/dbraw/zinc/82/57/49/275825749.db2.gz BSKPTFCIFODADH-SFYZADRCSA-N 1 0 268.279 2.133 10 0 CEAERO CC(C)C[C@@H]1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000236648701 275905072 /nfs/dbraw/zinc/90/50/72/275905072.db2.gz MUCDRSJMODOXNC-MELADBBJSA-N 1 0 252.402 2.399 10 0 CEAERO CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CN(C)CCO1 ZINC000160320094 275989656 /nfs/dbraw/zinc/98/96/56/275989656.db2.gz AYOAHOASSLBWNM-QLFBSQMISA-N 1 0 254.418 2.121 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2C[C@@H]3CCCC[C@@H]3C2)C1 ZINC000177437551 276166542 /nfs/dbraw/zinc/16/65/42/276166542.db2.gz WUHKNNSBWYUASV-QLFBSQMISA-N 1 0 279.428 2.302 10 0 CEAERO CCC[C@@H]1C[C@@H](C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CCO1 ZINC000245700426 276277545 /nfs/dbraw/zinc/27/75/45/276277545.db2.gz LRJNUBKYUGXFIS-HRCADAONSA-N 1 0 294.439 2.278 10 0 CEAERO CCC[C@H](C(=O)N1CCS[C@H](C)CC1)[NH+](C)C ZINC000191351974 276281536 /nfs/dbraw/zinc/28/15/36/276281536.db2.gz NORMHLMFZSHGKM-VXGBXAGGSA-N 1 0 258.431 2.071 10 0 CEAERO C[NH+](C)C[C@@H]1CN(c2ccc3ccccc3n2)CCO1 ZINC000264518715 276799289 /nfs/dbraw/zinc/79/92/89/276799289.db2.gz QDWJHVVTPAXUPH-CQSZACIVSA-N 1 0 271.364 2.002 10 0 CEAERO CN(C[C@H]1CCC[NH2+]1)c1cccc(Br)n1 ZINC000095070915 276979140 /nfs/dbraw/zinc/97/91/40/276979140.db2.gz YUAXVQQAWDYCQU-SECBINFHSA-N 1 0 270.174 2.032 10 0 CEAERO CN1CCO[C@H](C[NH2+][C@H]2CCCc3cc(F)ccc32)C1 ZINC000246032387 277128301 /nfs/dbraw/zinc/12/83/01/277128301.db2.gz MDZOVQWQOVUZQG-ZBFHGGJFSA-N 1 0 278.371 2.123 10 0 CEAERO CN1c2ccccc2[C@H]([NH2+]C[C@@]2(C)CCCO2)CC1=O ZINC000094796887 277218851 /nfs/dbraw/zinc/21/88/51/277218851.db2.gz BSAJPVDQTKSVOI-CZUORRHYSA-N 1 0 274.364 2.253 10 0 CEAERO CC(C)(C)c1nsc(N2CCCC[C@H]2C[NH3+])n1 ZINC000087642476 277281550 /nfs/dbraw/zinc/28/15/50/277281550.db2.gz WURRZHWCFSBZQG-VIFPVBQESA-N 1 0 254.403 2.153 10 0 CEAERO COc1cc([C@H]([NH2+]C2CCCCCC2)C(N)=O)ccc1O ZINC000037970621 277388719 /nfs/dbraw/zinc/38/87/19/277388719.db2.gz MYTPQKJLWGAYMK-HNNXBMFYSA-N 1 0 292.379 2.240 10 0 CEAERO CC(C)c1nccnc1N[C@H](C)C[NH+]1CCCCC1 ZINC000413086529 278080340 /nfs/dbraw/zinc/08/03/40/278080340.db2.gz CSMLFJFHWLAMMU-CYBMUJFWSA-N 1 0 262.401 2.308 10 0 CEAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H](C)C1CCC1)CC2 ZINC000180502223 278110697 /nfs/dbraw/zinc/11/06/97/278110697.db2.gz MUCXNKIQURUTMP-DGCLKSJQSA-N 1 0 262.401 2.495 10 0 CEAERO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2COc3ccccc32)C1 ZINC000094636061 278116815 /nfs/dbraw/zinc/11/68/15/278116815.db2.gz XAWFMRQPDKYYLX-OUCADQQQSA-N 1 0 295.404 2.066 10 0 CEAERO CC1(C)CCC(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000175444778 278198574 /nfs/dbraw/zinc/19/85/74/278198574.db2.gz XRRKTTQHVZTWPT-CQSZACIVSA-N 1 0 279.428 2.445 10 0 CEAERO CC(C)(C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(F)c1 ZINC000172515796 278264516 /nfs/dbraw/zinc/26/45/16/278264516.db2.gz NSXHKRFTLALUFT-OAHLLOKOSA-N 1 0 290.382 2.410 10 0 CEAERO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1CCc2ncnn2C1 ZINC000246392498 279022887 /nfs/dbraw/zinc/02/28/87/279022887.db2.gz KXWDDKDAFSUBJO-PVXIVEMSSA-N 1 0 268.364 2.116 10 0 CEAERO CC(C)C[C@H](C)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000248905121 279086608 /nfs/dbraw/zinc/08/66/08/279086608.db2.gz UTWKAVUZQQZQBK-IHRRRGAJSA-N 1 0 252.402 2.364 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CC[C@@H]1CCCCO1 ZINC000110663420 279121896 /nfs/dbraw/zinc/12/18/96/279121896.db2.gz BOTMKPURXQEORX-CABCVRRESA-N 1 0 284.444 2.428 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[C@H](C)[C@H]1C ZINC000246679098 279125556 /nfs/dbraw/zinc/12/55/56/279125556.db2.gz DDDGOKCTWUMSTQ-BFHYXJOUSA-N 1 0 269.433 2.403 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1C[C@@H]1C(C)C ZINC000185012842 279130831 /nfs/dbraw/zinc/13/08/31/279130831.db2.gz SXMCBMJCCGCCJD-MGPQQGTHSA-N 1 0 254.418 2.371 10 0 CEAERO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000090224789 279137491 /nfs/dbraw/zinc/13/74/91/279137491.db2.gz AEGWANMHQPDSTR-NEPJUHHUSA-N 1 0 278.400 2.357 10 0 CEAERO Cc1sc2nc(C)nc(N(C)[C@H]3CC[NH2+]C3)c2c1C ZINC000261602176 279285857 /nfs/dbraw/zinc/28/58/57/279285857.db2.gz QKAVXCDZVRGAMK-NSHDSACASA-N 1 0 276.409 2.415 10 0 CEAERO CC(C)N(C(=O)[C@@H](C)[NH2+][C@@H](CO)c1ccccc1)C(C)C ZINC000182903871 279300759 /nfs/dbraw/zinc/30/07/59/279300759.db2.gz NYSLRISDPPCSBA-ZBFHGGJFSA-N 1 0 292.423 2.344 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000177696281 279328020 /nfs/dbraw/zinc/32/80/20/279328020.db2.gz YGIHLDPOYZUXKJ-HOTGVXAUSA-N 1 0 295.471 2.050 10 0 CEAERO C[C@H](CNC(=O)[C@H]1CC[C@@H](C)O1)[N@H+](C)Cc1ccccc1 ZINC000153954254 279343587 /nfs/dbraw/zinc/34/35/87/279343587.db2.gz HYWRTKJLCDOPMU-IIAWOOMASA-N 1 0 290.407 2.191 10 0 CEAERO C[C@H]([NH3+])[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000127309140 279421202 /nfs/dbraw/zinc/42/12/02/279421202.db2.gz UPTIMINVGPPGMO-IUCAKERBSA-N 1 0 259.275 2.274 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1nc2ccccc2n1C ZINC000134239379 279516279 /nfs/dbraw/zinc/51/62/79/279516279.db2.gz FHNXAELKQXDSMM-SDDRHHMPSA-N 1 0 259.353 2.401 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCCO2)C12CCOCC2 ZINC000249004081 279816720 /nfs/dbraw/zinc/81/67/20/279816720.db2.gz NPKNDIWIQBNXAR-RBSFLKMASA-N 1 0 283.412 2.119 10 0 CEAERO C[C@H](C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)N1CCOCC1 ZINC000129222584 279906651 /nfs/dbraw/zinc/90/66/51/279906651.db2.gz DUAKGZTZXLTYEG-AGIUHOORSA-N 1 0 294.361 2.418 10 0 CEAERO Cc1cccc([C@H](C)[NH2+][C@H](C)C[C@H]2COCCN2)c1 ZINC000134121427 280013604 /nfs/dbraw/zinc/01/36/04/280013604.db2.gz QBUBRQPMWNHFNM-YCPHGPKFSA-N 1 0 262.397 2.413 10 0 CEAERO CCCC(O)(CCC)CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000161641384 280096257 /nfs/dbraw/zinc/09/62/57/280096257.db2.gz VHRANLUWNUORQS-GJZGRUSLSA-N 1 0 296.455 2.403 10 0 CEAERO CCC[C@H](C(=O)NCCc1ccsc1)[NH+](C)C ZINC000179484701 280105890 /nfs/dbraw/zinc/10/58/90/280105890.db2.gz YLQHXHXREKHYRY-GFCCVEGCSA-N 1 0 254.399 2.137 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc3c(c2O)CCCC3)C1 ZINC000185820532 280126662 /nfs/dbraw/zinc/12/66/62/280126662.db2.gz REDOCUXSAAMBGR-CYBMUJFWSA-N 1 0 288.391 2.047 10 0 CEAERO C[C@H]1c2ccsc2CCN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000089745786 280135093 /nfs/dbraw/zinc/13/50/93/280135093.db2.gz MDKKYXZYITTXGC-QWRGUYRKSA-N 1 0 264.394 2.193 10 0 CEAERO C[C@H]1C(=O)NCCC[N@H+]1CC1CCC(C)(C)CC1 ZINC000189075246 280142844 /nfs/dbraw/zinc/14/28/44/280142844.db2.gz SEDWLDDBFNTZGK-LBPRGKRZSA-N 1 0 252.402 2.413 10 0 CEAERO Cc1cnn([C@H]2CCC[N@H+](CC[C@@H]3CCCO3)C2)c1 ZINC000189220721 280146421 /nfs/dbraw/zinc/14/64/21/280146421.db2.gz GIUJIKJHIBIOGY-GJZGRUSLSA-N 1 0 263.385 2.398 10 0 CEAERO COc1cc([C@@H](C)[NH2+]CC2CC(O)C2)ccc1F ZINC000215542485 280208544 /nfs/dbraw/zinc/20/85/44/280208544.db2.gz SFVWMJKFMCQJQL-GRZMOONWSA-N 1 0 253.317 2.256 10 0 CEAERO CN(C(=O)c1cccc2cc[nH]c21)[C@@H]1CCC[NH2+]CC1 ZINC000226458184 280214781 /nfs/dbraw/zinc/21/47/81/280214781.db2.gz PMSPXJNSMRJDPP-CYBMUJFWSA-N 1 0 271.364 2.382 10 0 CEAERO Cc1c(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)cnn1C ZINC000341475334 280226944 /nfs/dbraw/zinc/22/69/44/280226944.db2.gz XMBNSSRCGFRWKW-PTEHBNRSSA-N 1 0 251.374 2.022 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CC[C@@H](C)[C@H](C)C2)C1 ZINC000245919178 280266323 /nfs/dbraw/zinc/26/63/23/280266323.db2.gz NOFMCDJKHDGRLF-KBUPBQIOSA-N 1 0 281.444 2.403 10 0 CEAERO Cc1c2cccc(Cl)c2oc1C(=O)N[C@@H](C)C[NH3+] ZINC000262505046 280269203 /nfs/dbraw/zinc/26/92/03/280269203.db2.gz BDEJDWPHHOKIQP-ZETCQYMHSA-N 1 0 266.728 2.472 10 0 CEAERO Fc1ccc(OCCCN2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000246182103 280278654 /nfs/dbraw/zinc/27/86/54/280278654.db2.gz KSXWNBHNASYLBT-HNNXBMFYSA-N 1 0 278.371 2.375 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CC[C@H](C)C2)C1 ZINC000246424295 280292826 /nfs/dbraw/zinc/29/28/26/280292826.db2.gz CUCJVDFUFKAKKB-IHRRRGAJSA-N 1 0 252.402 2.413 10 0 CEAERO CCCCN(CCCC)C(=O)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000246791398 280310000 /nfs/dbraw/zinc/31/00/00/280310000.db2.gz ZZMQNFRGEJTKQW-INIZCTEOSA-N 1 0 295.471 2.195 10 0 CEAERO CCC[N@H+](C[C@@H](O)COC(C)(C)C)C[C@H]1CCCCO1 ZINC000246793873 280310185 /nfs/dbraw/zinc/31/01/85/280310185.db2.gz MLOKLZHEPNEGTO-HUUCEWRRSA-N 1 0 287.444 2.444 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CCCC1(C)C ZINC000247276866 280324469 /nfs/dbraw/zinc/32/44/69/280324469.db2.gz WXICASCHJYJLFH-MCIONIFRSA-N 1 0 279.428 2.443 10 0 CEAERO CC(C)[C@H](C)CNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000247478802 280331077 /nfs/dbraw/zinc/33/10/77/280331077.db2.gz VXOFGLWNTGRBEA-HZSPNIEDSA-N 1 0 269.433 2.306 10 0 CEAERO CC(C)OCCCC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000248374524 280345031 /nfs/dbraw/zinc/34/50/31/280345031.db2.gz RFDWNGQKDIGANZ-ZIAGYGMSSA-N 1 0 270.417 2.037 10 0 CEAERO C[C@@H](C[NH2+][C@H]1CC(C)(C)C[C@H]1C)N1CCOCC1 ZINC000248876235 280370867 /nfs/dbraw/zinc/37/08/67/280370867.db2.gz 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CC[NH2+]Cc1cnc(N2CCO[C@@H]3CCC[C@@H]32)s1 ZINC000054907045 520016381 /nfs/dbraw/zinc/01/63/81/520016381.db2.gz HXIGHTZTELUWSI-NWDGAFQWSA-N 1 0 267.398 2.010 10 0 CEAERO CCC[NH2+][C@@H]1CCN(Cc2nccs2)[C@H](C)C1 ZINC000049714077 520023417 /nfs/dbraw/zinc/02/34/17/520023417.db2.gz VDGCBPQPBLJYBO-VXGBXAGGSA-N 1 0 253.415 2.496 10 0 CEAERO CCCN[C@@](C)(C[C@H](C)[N@@H+]1CCCC(C)(C)C1)C(N)=O ZINC000068647803 520045278 /nfs/dbraw/zinc/04/52/78/520045278.db2.gz IJHPVTPRJFDTSO-BBRMVZONSA-N 1 0 283.460 2.131 10 0 CEAERO CCCN[C@@](C[N@@H+]1CCC[C@@H]1CC)(C(=O)OC)C1CC1 ZINC000069088210 520052833 /nfs/dbraw/zinc/05/28/33/520052833.db2.gz FFQBBHNDWKZUDQ-GOEBONIOSA-N 1 0 282.428 2.182 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N[C@@H](C)c1cc(F)ccc1OC ZINC000061271184 520064747 /nfs/dbraw/zinc/06/47/47/520064747.db2.gz ZCNVUSGBQDVPTH-QWRGUYRKSA-N 1 0 282.359 2.400 10 0 CEAERO CCC[NH2+][C@H](C)c1cccc(O[C@@H](CC)C(N)=O)c1 ZINC000061675863 520065332 /nfs/dbraw/zinc/06/53/32/520065332.db2.gz PGRANUQYUWVQMU-RISCZKNCSA-N 1 0 264.369 2.390 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)NCc1ccc(Br)cc1 ZINC000061269171 520065673 /nfs/dbraw/zinc/06/56/73/520065673.db2.gz MQVVGAYHMWAFHQ-JTQLQIEISA-N 1 0 299.212 2.453 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(F)cc1OCCC(=O)N(C)C ZINC000062746688 520076559 /nfs/dbraw/zinc/07/65/59/520076559.db2.gz YXISKRUGMGDUOO-NSHDSACASA-N 1 0 282.359 2.353 10 0 CEAERO CCC[NH2+][C@H](CCN(CC)c1ccc(C)cc1)C(N)=O ZINC000062529107 520072963 /nfs/dbraw/zinc/07/29/63/520072963.db2.gz RNYNCFKDBTUGMP-OAHLLOKOSA-N 1 0 277.412 2.065 10 0 CEAERO CCC[NH2+][C@](C)(CCC[N@H+](CC)CC1CC1)C(=O)[O-] ZINC000069239478 520105227 /nfs/dbraw/zinc/10/52/27/520105227.db2.gz BVGWZAUIAUPLNY-OAHLLOKOSA-N 1 0 270.417 2.341 10 0 CEAERO CCCN[C@](C[N@H+](C)CC(C)(C)C)(C(=O)OC)C1CC1 ZINC000069132491 520116682 /nfs/dbraw/zinc/11/66/82/520116682.db2.gz PTUDLINHJFLHNB-INIZCTEOSA-N 1 0 284.444 2.286 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N(C)Cc1ccc(F)cc1 ZINC000061269774 520162477 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CC(C)c1csc(CCC(=O)NCCC[NH+](C)C)n1 ZINC000062619749 519852986 /nfs/dbraw/zinc/85/29/86/519852986.db2.gz VVJLUZXDLJWONU-UHFFFAOYSA-N 1 0 283.441 2.267 10 0 CEAERO CCCNC(=O)[C@@H](C)n1c2ccc(N)cc2[nH+]c1CC ZINC000052855394 519889250 /nfs/dbraw/zinc/88/92/50/519889250.db2.gz JQEOOHQRAQXEHR-SNVBAGLBSA-N 1 0 274.368 2.268 10 0 CEAERO CCNC(=O)c1ccc(N)cc1N[C@H](C[NH+](C)C)C(C)C ZINC000070239432 519892335 /nfs/dbraw/zinc/89/23/35/519892335.db2.gz CZUXIMQCDSTWDW-OAHLLOKOSA-N 1 0 292.427 2.017 10 0 CEAERO CCCC1CC[NH+]([C@H](C)C[C@@](C)(NC)C(=O)OC)CC1 ZINC000068641821 519903494 /nfs/dbraw/zinc/90/34/94/519903494.db2.gz OAZQCOUKPUZCFJ-CZUORRHYSA-N 1 0 284.444 2.428 10 0 CEAERO CCCNC(=O)c1cccc(NC(=O)[C@@H](C)C[NH2+]CC)c1 ZINC000061230933 519903982 /nfs/dbraw/zinc/90/39/82/519903982.db2.gz JRRWQGWRKLKESW-LBPRGKRZSA-N 1 0 291.395 2.011 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N1CC[C@H](c2ccccc2)C1 ZINC000061299385 519904525 /nfs/dbraw/zinc/90/45/25/519904525.db2.gz FBDOCWUHDFJSLD-AWEZNQCLSA-N 1 0 260.381 2.391 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1cccc(-c2nnco2)c1 ZINC000061298592 519907645 /nfs/dbraw/zinc/90/76/45/519907645.db2.gz JHRGJFAFUQVYNB-UHFFFAOYSA-N 1 0 274.324 2.063 10 0 CEAERO CCC[NH2+]CC1(CN2C[C@@H](C)OC(C)(C)C2)CCOCC1 ZINC000052183149 519911175 /nfs/dbraw/zinc/91/11/75/519911175.db2.gz PVSJVYCTNBXGJS-OAHLLOKOSA-N 1 0 298.471 2.282 10 0 CEAERO CC[NH2+]CC1(CN2Cc3ccccc3C2)CCOCC1 ZINC000052182100 519913750 /nfs/dbraw/zinc/91/37/50/519913750.db2.gz GUDIKAPJDQUYDT-UHFFFAOYSA-N 1 0 274.408 2.409 10 0 CEAERO CC[NH2+]CCC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000061294554 519915200 /nfs/dbraw/zinc/91/52/00/519915200.db2.gz NGDMYBNNZTWRGS-SNVBAGLBSA-N 1 0 270.323 2.484 10 0 CEAERO CC[NH2+]CCC(=O)N(Cc1ccc(C)o1)C1CC1 ZINC000061295598 519915902 /nfs/dbraw/zinc/91/59/02/519915902.db2.gz QPHVJTNZQCVTSN-UHFFFAOYSA-N 1 0 250.342 2.079 10 0 CEAERO CC[NH2+]CCC(=O)N[C@H](CC)c1ccccc1OC ZINC000061291471 519917281 /nfs/dbraw/zinc/91/72/81/519917281.db2.gz YZXHBLDCRVDAEA-CYBMUJFWSA-N 1 0 264.369 2.262 10 0 CEAERO CCC[NH2+]CCc1nnc(-c2ccc(OC)c(OC)c2)o1 ZINC000050619928 519919520 /nfs/dbraw/zinc/91/95/20/519919520.db2.gz JDJUJBSCUPNJSD-UHFFFAOYSA-N 1 0 291.351 2.296 10 0 CEAERO CCC[NH2+]C[C@H](C)N1CCN(c2ccc(F)cc2)CC1 ZINC000052418176 519931521 /nfs/dbraw/zinc/93/15/21/519931521.db2.gz JLCSHMFREBGXAG-AWEZNQCLSA-N 1 0 279.403 2.336 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000061268200 519934731 /nfs/dbraw/zinc/93/47/31/519934731.db2.gz RIRCFRRZTAVFHL-UKRRQHHQSA-N 1 0 260.381 2.248 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)NCc1cccc(Br)c1 ZINC000061267626 519936284 /nfs/dbraw/zinc/93/62/84/519936284.db2.gz BVNSQGFBFOVJEK-SNVBAGLBSA-N 1 0 299.212 2.311 10 0 CEAERO CCC[NH2+]C[C@H]1CC[C@@H](Cn2nc(C)cc2C)O1 ZINC000052575919 519939384 /nfs/dbraw/zinc/93/93/84/519939384.db2.gz IEKNTIMCDAAFCY-KGLIPLIRSA-N 1 0 251.374 2.047 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1cccc2cnccc21 ZINC000061231181 519941423 /nfs/dbraw/zinc/94/14/23/519941423.db2.gz FTIZMYFWIAJRDI-LLVKDONJSA-N 1 0 257.337 2.419 10 0 CEAERO CCC[NH2+]Cc1ccc(OC)cc1OCCCC(=O)NC ZINC000068816568 519950037 /nfs/dbraw/zinc/95/00/37/519950037.db2.gz WOYQJYWTSXIIAY-UHFFFAOYSA-N 1 0 294.395 2.100 10 0 CEAERO CC[NH2+]C[C@@H]1CC[C@H](COc2cccc(F)c2)O1 ZINC000052675828 519956035 /nfs/dbraw/zinc/95/60/35/519956035.db2.gz SQWSSADBFZGKPM-UONOGXRCSA-N 1 0 253.317 2.362 10 0 CEAERO CC[NH2+]C[C@@H]1CC[C@H](COCc2cccs2)O1 ZINC000052706419 519956306 /nfs/dbraw/zinc/95/63/06/519956306.db2.gz IDLQLTXEJMFEQI-NWDGAFQWSA-N 1 0 255.383 2.422 10 0 CEAERO CC[NH2+]C[C@@](C)(CC)CN1CCN(c2nccs2)CC1 ZINC000051212273 519957378 /nfs/dbraw/zinc/95/73/78/519957378.db2.gz HRABXLOZKGONBL-OAHLLOKOSA-N 1 0 296.484 2.291 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N(CC)c1ccccc1F ZINC000061268134 519959440 /nfs/dbraw/zinc/95/94/40/519959440.db2.gz BRNVCDTVENCGLE-NSHDSACASA-N 1 0 252.333 2.424 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N(Cc1ccsc1)C1CC1 ZINC000061266884 519960918 /nfs/dbraw/zinc/96/09/18/519960918.db2.gz DYQJAIRARMDCHV-NSHDSACASA-N 1 0 266.410 2.485 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccccc1-c1nnc(C)o1 ZINC000061230906 519968263 /nfs/dbraw/zinc/96/82/63/519968263.db2.gz FQARAKMOXCOWIH-JTQLQIEISA-N 1 0 288.351 2.229 10 0 CEAERO CC[NH2+]C[C@H](C)CN1CCN(c2ccc(F)cc2)CC1 ZINC000052418198 519969764 /nfs/dbraw/zinc/96/97/64/519969764.db2.gz ZORHBZJCCXFQOB-AWEZNQCLSA-N 1 0 279.403 2.193 10 0 CEAERO CCC[NH2+]Cc1nnnn1-c1cccc(C(C)C)c1 ZINC000054744359 519970132 /nfs/dbraw/zinc/97/01/32/519970132.db2.gz XUZFTLRYAWQFNF-UHFFFAOYSA-N 1 0 259.357 2.285 10 0 CEAERO CCC[NH2+]Cc1nnnn1-c1ccc(C(C)(C)C)cc1 ZINC000054744675 519970823 /nfs/dbraw/zinc/97/08/23/519970823.db2.gz IYJIBVNYWBXJNJ-UHFFFAOYSA-N 1 0 273.384 2.459 10 0 CEAERO CC[NH2+]C[C@H](CC)[C@H]1CS(=O)(=O)c2ccccc21 ZINC000052973178 519971926 /nfs/dbraw/zinc/97/19/26/519971926.db2.gz IIDPMYCBMITINQ-WCQYABFASA-N 1 0 267.394 2.193 10 0 CEAERO CCC[NH2+]Cc1nnnn1[C@H]1CCCc2ccccc21 ZINC000054746446 519972554 /nfs/dbraw/zinc/97/25/54/519972554.db2.gz QACDOPHKKJMLPS-AWEZNQCLSA-N 1 0 271.368 2.098 10 0 CEAERO CC[NH2+]Cc1c(C)nn(C)c1-n1ncc2ccccc21 ZINC000050526828 519983490 /nfs/dbraw/zinc/98/34/90/519983490.db2.gz UWOGCNJNLBNBMF-UHFFFAOYSA-N 1 0 269.352 2.177 10 0 CEAERO CCCN[C@@H](CC[N@@H+]1CCCC(C)(C)C1)C(=O)OC ZINC000069517056 519999205 /nfs/dbraw/zinc/99/92/05/519999205.db2.gz GADCUHWMKNNHGC-ZDUSSCGKSA-N 1 0 270.417 2.040 10 0 CEAERO CC[NH2+]Cc1ccnc(N2CCC(OCC)CC2)c1 ZINC000051448174 520011098 /nfs/dbraw/zinc/01/10/98/520011098.db2.gz UPNOCGUIVPSRHA-UHFFFAOYSA-N 1 0 263.385 2.196 10 0 CEAERO CCC[NH2+][C@@H](CS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000052789273 520011798 /nfs/dbraw/zinc/01/17/98/520011798.db2.gz PBPHBOUSDDJDSE-LBPRGKRZSA-N 1 0 275.801 2.425 10 0 CEAERO CC[NH2+]Cc1ccoc1CN1C[C@H](C)OC(C)(C)C1 ZINC000052543433 520014245 /nfs/dbraw/zinc/01/42/45/520014245.db2.gz DQXFSUQDFOOAKQ-LBPRGKRZSA-N 1 0 266.385 2.388 10 0 CEAERO CCC[NH2+][C@@H](c1cc(C)oc1C)[C@@H]1COCCO1 ZINC000055301226 520016591 /nfs/dbraw/zinc/01/65/91/520016591.db2.gz STALXKBCUWVRMI-KBPBESRZSA-N 1 0 253.342 2.353 10 0 CEAERO CCC[NH2+][C@@H]1CCC2(C[C@@H]1OC1CCC1)OCCO2 ZINC000050520321 520020109 /nfs/dbraw/zinc/02/01/09/520020109.db2.gz JFAHLMZYIXYSTF-KGLIPLIRSA-N 1 0 269.385 2.219 10 0 CEAERO CC[NH2+]Cc1nc(CN(CC)[C@H](C)COC)cs1 ZINC000052504650 520021641 /nfs/dbraw/zinc/02/16/41/520021641.db2.gz OHSSSGHNAQRNSL-LLVKDONJSA-N 1 0 271.430 2.109 10 0 CEAERO CC[NH2+]Cc1nnnn1-c1ccc(C(C)(C)C)cc1 ZINC000054744674 520024768 /nfs/dbraw/zinc/02/47/68/520024768.db2.gz NXDRJWMDSUPSKH-UHFFFAOYSA-N 1 0 259.357 2.069 10 0 CEAERO CCC[NH2+][C@@H]1CCc2c1cccc2OCCC(=O)NC ZINC000062799928 520026115 /nfs/dbraw/zinc/02/61/15/520026115.db2.gz QYJKHDMBYYDIMT-CQSZACIVSA-N 1 0 276.380 2.188 10 0 CEAERO CCC[NH2+][C@@](C)(CO)CCN(C)c1ccccc1OC ZINC000070338087 520038132 /nfs/dbraw/zinc/03/81/32/520038132.db2.gz SRHCEBXBFNGQCT-MRXNPFEDSA-N 1 0 280.412 2.272 10 0 CEAERO CCCN[C@@](C)(C[C@@H](C)[N@H+](C)CC1CC1)C(=O)OCC ZINC000068627750 520039342 /nfs/dbraw/zinc/03/93/42/520039342.db2.gz OFLKNLIURSVXGC-CJNGLKHVSA-N 1 0 284.444 2.428 10 0 CEAERO CCCN[C@@](C)(C[C@@H](C)[NH+](CC1CC1)CC1CC1)C(N)=O ZINC000068647977 520041366 /nfs/dbraw/zinc/04/13/66/520041366.db2.gz JBDIKEAHAATLBT-DYVFJYSZSA-N 1 0 295.471 2.131 10 0 CEAERO CCC[NH2+][C@@](COc1ccc(CC)cc1)(C(N)=O)C1CC1 ZINC000069197145 520057704 /nfs/dbraw/zinc/05/77/04/520057704.db2.gz CLROSLZKAGMMMU-QGZVFWFLSA-N 1 0 290.407 2.262 10 0 CEAERO CCC[NH2+][C@H](C)CCCCN1C(=O)CCCCC1=O ZINC000045604448 520062377 /nfs/dbraw/zinc/06/23/77/520062377.db2.gz HYYSMESZPMQLRY-CYBMUJFWSA-N 1 0 268.401 2.474 10 0 CEAERO CCC[NH2+][C@H](C)c1ccccc1O[C@H](CC)C(N)=O ZINC000061675841 520065172 /nfs/dbraw/zinc/06/51/72/520065172.db2.gz UMSREFSHGUFPRX-DGCLKSJQSA-N 1 0 264.369 2.390 10 0 CEAERO CCN(C(=O)c1cc(F)ccc1C)[C@H]1CCC[NH2+]C1 ZINC000062664927 520068970 /nfs/dbraw/zinc/06/89/70/520068970.db2.gz LPUSUALZDSMJLZ-ZDUSSCGKSA-N 1 0 264.344 2.348 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1ccc(-c2nnco2)cc1 ZINC000061273702 520068700 /nfs/dbraw/zinc/06/87/00/520068700.db2.gz PFNBLJOYDUUKHZ-JTQLQIEISA-N 1 0 274.324 2.063 10 0 CEAERO CC[NH2+][C@@H](C)Cc1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000061213012 520072567 /nfs/dbraw/zinc/07/25/67/520072567.db2.gz HKDXAJFHNNFFDS-JTQLQIEISA-N 1 0 291.351 2.294 10 0 CEAERO CC[NH2+][C@@H](C)c1c(C)nn(C[C@H]2CCCO2)c1C ZINC000054718094 520073998 /nfs/dbraw/zinc/07/39/98/520073998.db2.gz QESBIIFFJPSWPP-GXFFZTMASA-N 1 0 251.374 2.349 10 0 CEAERO CC[NH2+][C@@H](C)c1c(C)nn(Cc2cnn(CC)c2)c1C ZINC000054718197 520075188 /nfs/dbraw/zinc/07/51/88/520075188.db2.gz RJGADAWSHZQDPS-NSHDSACASA-N 1 0 275.400 2.435 10 0 CEAERO CC[NH2+][C@@H](C)c1ccccc1NC(=O)c1ccnn1C ZINC000061665372 520077969 /nfs/dbraw/zinc/07/79/69/520077969.db2.gz DMQJXNCMQNHGNR-NSHDSACASA-N 1 0 272.352 2.343 10 0 CEAERO CC[NH2+][C@@H](C)c1ccccc1Sc1n[nH]c(=O)n1CC ZINC000061595869 520079869 /nfs/dbraw/zinc/07/98/69/520079869.db2.gz CZCHMKNUKOULAS-JTQLQIEISA-N 1 0 292.408 2.413 10 0 CEAERO CC[NH2+][C@@H](CC)c1ccccc1O[C@H](CC)C(N)=O ZINC000061675800 520084891 /nfs/dbraw/zinc/08/48/91/520084891.db2.gz XWXGDTYTGVRKFW-QWHCGFSZSA-N 1 0 264.369 2.390 10 0 CEAERO CCC[NH2+][C@H](Cc1csc(C)n1)c1nccn1C ZINC000069473831 520088316 /nfs/dbraw/zinc/08/83/16/520088316.db2.gz KFYPJNIHCNJWLZ-GFCCVEGCSA-N 1 0 264.398 2.468 10 0 CEAERO CCC[NH2+][C@H](c1cc(C)oc1C)[C@@H]1COCCO1 ZINC000055301227 520088393 /nfs/dbraw/zinc/08/83/93/520088393.db2.gz STALXKBCUWVRMI-UONOGXRCSA-N 1 0 253.342 2.353 10 0 CEAERO CCC[NH2+][C@H](c1cc(C)ccc1OC)[C@@H]1COCCO1 ZINC000055300893 520088784 /nfs/dbraw/zinc/08/87/84/520088784.db2.gz CFTMNIVYTOIPAF-JKSUJKDBSA-N 1 0 279.380 2.460 10 0 CEAERO CCC[NH2+][C@H]1CCc2c1cccc2O[C@H](CC)C(N)=O ZINC000062799947 520098592 /nfs/dbraw/zinc/09/85/92/520098592.db2.gz QCRRMMXQXZWTQI-UONOGXRCSA-N 1 0 276.380 2.316 10 0 CEAERO CCCCCCOC[C@H](O)C[NH2+][C@H](CN(C)C)C(C)C ZINC000049204354 520101308 /nfs/dbraw/zinc/10/13/08/520101308.db2.gz YMTVWFUQNGUOHB-HZPDHXFCSA-N 1 0 288.476 2.120 10 0 CEAERO CCOC[C@@H](O)COc1cc(C)ccc1[C@H](C)[NH2+]C ZINC000069276311 520105755 /nfs/dbraw/zinc/10/57/55/520105755.db2.gz IIZGDSQMBQMPIW-QWHCGFSZSA-N 1 0 267.369 2.052 10 0 CEAERO CC[NH2+][C@@H](Cn1ncccc1=O)c1ccc(C)cc1C ZINC000061402088 520107419 /nfs/dbraw/zinc/10/74/19/520107419.db2.gz NPHLVJVBAPXFBF-HNNXBMFYSA-N 1 0 271.364 2.211 10 0 CEAERO CCN(C(=O)c1cc[nH+]c(NN)c1)c1ccccc1F ZINC000051114840 520110328 /nfs/dbraw/zinc/11/03/28/520110328.db2.gz HJJNVIBRWKQMRV-UHFFFAOYSA-N 1 0 274.299 2.173 10 0 CEAERO CC[NH2+][C@@H](c1ccc(Cl)cc1)[C@H]1COCCO1 ZINC000055299897 520110683 /nfs/dbraw/zinc/11/06/83/520110683.db2.gz FEGVLAJPLFEMAP-OLZOCXBDSA-N 1 0 255.745 2.406 10 0 CEAERO CCCN[C@](C)(C[C@@H](C)[NH+]1CCC(C)CC1)C(=O)OC ZINC000068618523 520111325 /nfs/dbraw/zinc/11/13/25/520111325.db2.gz NDSISZFWUKVBJY-GDBMZVCRSA-N 1 0 284.444 2.428 10 0 CEAERO CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1[C@@H]1CCS(=O)(=O)C1 ZINC000054630914 520121855 /nfs/dbraw/zinc/12/18/55/520121855.db2.gz OELSDGSHRUZYRK-KBUPBQIOSA-N 1 0 287.469 2.472 10 0 CEAERO CCC[NH2+][C@](CS[C@@H](C)CC)(C(N)=O)C1CC1 ZINC000069185104 520125847 /nfs/dbraw/zinc/12/58/47/520125847.db2.gz ZSOYCXCEXQIOFZ-GWCFXTLKSA-N 1 0 258.431 2.152 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2C[C@H]1CCCS(C)(=O)=O ZINC000063015821 520125915 /nfs/dbraw/zinc/12/59/15/520125915.db2.gz FLXMDGMWSTTXEJ-HIFRSBDPSA-N 1 0 281.421 2.334 10 0 CEAERO CCCNc1cc(C(=O)N[C@H](C[NH+](C)C)C(C)C)ccn1 ZINC000050779724 520133126 /nfs/dbraw/zinc/13/31/26/520133126.db2.gz HIBCFLGOSBRPMS-CQSZACIVSA-N 1 0 292.427 2.220 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cn1 ZINC000061269317 520169845 /nfs/dbraw/zinc/16/98/45/520169845.db2.gz PSGRORGZXASOCP-MRVPVSSYSA-N 1 0 286.173 2.171 10 0 CEAERO CC[NH2+][C@@](C)(C[C@H](C)[NH+](CC1CC1)CC1CC1)C(=O)[O-] ZINC000068647960 520144566 /nfs/dbraw/zinc/14/45/66/520144566.db2.gz QISDOWIHTRYOSK-LRDDRELGSA-N 1 0 282.428 2.340 10 0 CEAERO CCN[C@@](C[N@H+](C)CCC(C)C)(C(=O)OCC)C1CC1 ZINC000069183762 520149860 /nfs/dbraw/zinc/14/98/60/520149860.db2.gz MGUALSBVSRQNEK-MRXNPFEDSA-N 1 0 284.444 2.286 10 0 CEAERO CCCNc1ccc(C(=O)N[C@H]2CCC[N@H+](C)C2)cc1 ZINC000050773019 520150317 /nfs/dbraw/zinc/15/03/17/520150317.db2.gz UKQSSTJZVZIDBU-HNNXBMFYSA-N 1 0 275.396 2.333 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N(C)Cc1cccc(F)c1 ZINC000061269297 520162017 /nfs/dbraw/zinc/16/20/17/520162017.db2.gz MLIPPAYHFRTWLS-LLVKDONJSA-N 1 0 252.333 2.172 10 0 CEAERO CCOC[C@H](O)COc1ccc2c(c1)OC(C)(C)C[C@@H]2[NH3+] ZINC000069275723 520164300 /nfs/dbraw/zinc/16/43/00/520164300.db2.gz PGAVSNWQKVBEJQ-FZMZJTMJSA-N 1 0 295.379 2.024 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N[C@@H](C)Cc1c(F)cccc1F ZINC000061271551 520167439 /nfs/dbraw/zinc/16/74/39/520167439.db2.gz RIUFNZJHSWPKSU-MNOVXSKESA-N 1 0 284.350 2.400 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1ccc(C(=O)OC)cc1C ZINC000061271215 520169484 /nfs/dbraw/zinc/16/94/84/520169484.db2.gz LTCHXLRAKWQRJP-LLVKDONJSA-N 1 0 278.352 2.108 10 0 CEAERO CC[NH2+][C@H](C)Cc1nc(Cc2cccs2)no1 ZINC000061213121 520176928 /nfs/dbraw/zinc/17/69/28/520176928.db2.gz WVMOIVZXUMPHPG-SECBINFHSA-N 1 0 251.355 2.262 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(OCCC(=O)OC)cc1 ZINC000069317041 520179656 /nfs/dbraw/zinc/17/96/56/520179656.db2.gz OTCCPCIVNKFGLS-LLVKDONJSA-N 1 0 251.326 2.299 10 0 CEAERO CC[NH2+][C@H](C)c1ccccc1OC[C@H](O)COCC ZINC000069275288 520181450 /nfs/dbraw/zinc/18/14/50/520181450.db2.gz PCHWRERANYGLDS-CHWSQXEVSA-N 1 0 267.369 2.133 10 0 CEAERO CC[NH2+][C@H](C)c1sc(N(C)CCOC)nc1C ZINC000054909057 520183425 /nfs/dbraw/zinc/18/34/25/520183425.db2.gz OAXRHUISWNKUPX-SECBINFHSA-N 1 0 257.403 2.205 10 0 CEAERO CC[NH2+][C@H](C)c1nnc(-c2ccc3nccnc3c2)o1 ZINC000061439451 520183898 /nfs/dbraw/zinc/18/38/98/520183898.db2.gz OFELOIVIWFWNBN-SECBINFHSA-N 1 0 269.308 2.350 10 0 CEAERO CCN[C@H](CC[NH+](CC(C)C)CC(C)C)C(=O)OC ZINC000062454490 520187848 /nfs/dbraw/zinc/18/78/48/520187848.db2.gz RSNGSHGVWZSBOF-CQSZACIVSA-N 1 0 272.433 2.142 10 0 CEAERO CC[NH2+][C@H](CCOc1ccccc1[C@H](C)CC)C(N)=O ZINC000062551009 520195467 /nfs/dbraw/zinc/19/54/67/520195467.db2.gz OOUSZRCTBGPGEC-TZMCWYRMSA-N 1 0 278.396 2.432 10 0 CEAERO CC[NH2+][C@H](Cn1nc(C)ccc1=O)c1ccccc1C ZINC000061810186 520205294 /nfs/dbraw/zinc/20/52/94/520205294.db2.gz KXXLXRAMRCXNNW-OAHLLOKOSA-N 1 0 271.364 2.211 10 0 CEAERO CC[NH2+][C@H](c1cc(F)ccc1F)[C@H]1COCCO1 ZINC000055299997 520205530 /nfs/dbraw/zinc/20/55/30/520205530.db2.gz QKNZBDBWQCOIBE-CHWSQXEVSA-N 1 0 257.280 2.031 10 0 CEAERO CC[NH2+][C@H](Cn1nc(C)ccc1=O)c1ccc(C)cc1 ZINC000061810301 520206334 /nfs/dbraw/zinc/20/63/34/520206334.db2.gz MLMABRGLBJKLHX-OAHLLOKOSA-N 1 0 271.364 2.211 10 0 CEAERO CCCCCNC(=O)[C@H](C)[NH2+]C[C@H](C)CSC ZINC000069447768 520218157 /nfs/dbraw/zinc/21/81/57/520218157.db2.gz POKSGQXCRZWVPD-RYUDHWBXSA-N 1 0 260.447 2.270 10 0 CEAERO CCCOC(=O)c1ccc(NC(=O)[C@H](C)C[NH2+]CC)cc1 ZINC000061267339 520223331 /nfs/dbraw/zinc/22/33/31/520223331.db2.gz UZODJQFYXULVFY-GFCCVEGCSA-N 1 0 292.379 2.438 10 0 CEAERO CC1(C(=O)Nc2ccc(F)c(F)c2)CC[NH2+]CC1 ZINC000062839568 520233696 /nfs/dbraw/zinc/23/36/96/520233696.db2.gz VYFAWCKKPSIXNR-UHFFFAOYSA-N 1 0 254.280 2.293 10 0 CEAERO CC[NH2+][C@](C)(CSCc1cccc(C)c1)C(N)=O ZINC000054966379 520234543 /nfs/dbraw/zinc/23/45/43/520234543.db2.gz DTPHFFMCTRCCJG-CQSZACIVSA-N 1 0 266.410 2.082 10 0 CEAERO CCN[C@](C)(C[C@@H](C)[N@@H+]1CCC[C@@H]1C1CCCC1)C(N)=O ZINC000068632680 520235650 /nfs/dbraw/zinc/23/56/50/520235650.db2.gz BPFTUQYQVIQJTC-FRFSOERESA-N 1 0 295.471 2.273 10 0 CEAERO CCCOCc1nc(C)c(CC[NH2+]CC)c(C)n1 ZINC000054853726 520260597 /nfs/dbraw/zinc/26/05/97/520260597.db2.gz GFFQCAXVJSLQFJ-UHFFFAOYSA-N 1 0 251.374 2.172 10 0 CEAERO CCCO[C@@H]1CCCN(C(=O)[C@](C)([NH3+])c2ccccc2)C1 ZINC000052882601 520269395 /nfs/dbraw/zinc/26/93/95/520269395.db2.gz RVXJWIPAYLKXIZ-NVXWUHKLSA-N 1 0 290.407 2.278 10 0 CEAERO CCNc1ccc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cn1 ZINC000050777056 520291109 /nfs/dbraw/zinc/29/11/09/520291109.db2.gz MXRICKWYYWMNGC-AWEZNQCLSA-N 1 0 292.427 2.220 10 0 CEAERO CCNc1nc2ccccc2cc1C[N@H+](CC)CCO ZINC000050814537 520360607 /nfs/dbraw/zinc/36/06/07/520360607.db2.gz MXAIYODDOTXBSB-UHFFFAOYSA-N 1 0 273.380 2.481 10 0 CEAERO CC1(C)CC[NH+](C[C@@H](O)COc2cccc(N)c2)CC1 ZINC000061818234 520377465 /nfs/dbraw/zinc/37/74/65/520377465.db2.gz HQQJEGQNIJXUMI-CQSZACIVSA-N 1 0 278.396 2.131 10 0 CEAERO CCNc1ncccc1C[N@@H+]1CCC[C@@H](C(=O)OCC)C1 ZINC000052709474 520377813 /nfs/dbraw/zinc/37/78/13/520377813.db2.gz HOMZLRWYSYOOGT-CQSZACIVSA-N 1 0 291.395 2.289 10 0 CEAERO CCCC[N@H+](C)CC[C@@H](NC(C)C)C(=O)OCC ZINC000062436401 520409525 /nfs/dbraw/zinc/40/95/25/520409525.db2.gz IACOJEKQZAPHTF-CYBMUJFWSA-N 1 0 258.406 2.038 10 0 CEAERO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[C@H](C[NH3+])C1 ZINC000055162110 520417709 /nfs/dbraw/zinc/41/77/09/520417709.db2.gz MCGLSVJPUVIORZ-VHSXEESVSA-N 1 0 266.307 2.162 10 0 CEAERO CCN(CC(F)(F)F)C(=O)[C@H]1[C@@H](C)CCC[C@@H]1[NH3+] ZINC000055137073 520418512 /nfs/dbraw/zinc/41/85/12/520418512.db2.gz KRXKTFISTMQIGC-GUBZILKMSA-N 1 0 266.307 2.161 10 0 CEAERO CCCOc1cccc(-c2nc(CC[NH2+]C)no2)c1 ZINC000061668390 520439170 /nfs/dbraw/zinc/43/91/70/520439170.db2.gz 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CCOC(=O)[C@H](C)Oc1cccc(C[C@@H]([NH3+])CC)c1 ZINC000049955411 521217432 /nfs/dbraw/zinc/21/74/32/521217432.db2.gz ODZWALAMZNPTSP-AAEUAGOBSA-N 1 0 265.353 2.297 10 0 CEAERO CCC[C@H]1CN(CCn2ccnc2C)[C@H](C2CC2)C[NH2+]1 ZINC000068701058 521220476 /nfs/dbraw/zinc/22/04/76/521220476.db2.gz WAMQTHIJICYECN-HOTGVXAUSA-N 1 0 276.428 2.044 10 0 CEAERO CCC[C@H]1CN(CCOCC(F)(F)F)[C@H](C2CC2)C[NH2+]1 ZINC000068701014 521221063 /nfs/dbraw/zinc/22/10/63/521221063.db2.gz BZUKUSYFJQOXPR-STQMWFEESA-N 1 0 294.361 2.418 10 0 CEAERO CCC[C@](C)(CO)CN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055072942 521268761 /nfs/dbraw/zinc/26/87/61/521268761.db2.gz CYGQIWSNXQYPCQ-GJZGRUSLSA-N 1 0 256.434 2.201 10 0 CEAERO CCOc1cccc(-c2ncc(C[NH2+]CCOC)cn2)c1 ZINC000054856729 521313345 /nfs/dbraw/zinc/31/33/45/521313345.db2.gz GJTUEHCQTKPSBQ-UHFFFAOYSA-N 1 0 287.363 2.278 10 0 CEAERO CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H](C)C(N)=S ZINC000068709200 521327083 /nfs/dbraw/zinc/32/70/83/521327083.db2.gz AECOSWNUTLKICI-LLVKDONJSA-N 1 0 266.410 2.439 10 0 CEAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+]C[C@@H](C)CSC ZINC000069447867 521331620 /nfs/dbraw/zinc/33/16/20/521331620.db2.gz ZFSNMBHSBYEZDS-GHMZBOCLSA-N 1 0 260.447 2.268 10 0 CEAERO CCOC(=O)[C@](C[N@H+](C)[C@@H](C)C(C)(C)C)(NC)C1CC1 ZINC000069101072 521337220 /nfs/dbraw/zinc/33/72/20/521337220.db2.gz VODRCJMSVRDQPR-BLLLJJGKSA-N 1 0 284.444 2.284 10 0 CEAERO CCOC(=O)[C@]1(N2CCC[NH2+]CC2)CCC[C@H](C)[C@@H]1C ZINC000068631396 521357512 /nfs/dbraw/zinc/35/75/12/521357512.db2.gz JLFWCQYICIQGEM-DZKIICNBSA-N 1 0 282.428 2.040 10 0 CEAERO CCCc1cc(N2CCC([C@H]3CCC[NH2+]3)CC2)ncn1 ZINC000063201314 521368505 /nfs/dbraw/zinc/36/85/05/521368505.db2.gz SJHQPMRZPRNTKQ-OAHLLOKOSA-N 1 0 274.412 2.398 10 0 CEAERO CCC(C)(C)c1ccc(OCC[C@H]([NH2+]C)C(N)=O)cc1 ZINC000062549201 521370592 /nfs/dbraw/zinc/37/05/92/521370592.db2.gz FFHGVRVSCFTLJI-AWEZNQCLSA-N 1 0 278.396 2.216 10 0 CEAERO CCN(Cc1ccccc1C)C(=O)[C@@H](C)C1C[NH2+]C1 ZINC000163894995 521378487 /nfs/dbraw/zinc/37/84/87/521378487.db2.gz CLLIDHGFXVDBSR-ZDUSSCGKSA-N 1 0 260.381 2.199 10 0 CEAERO CCOc1cccc(C[C@H](C)[NH3+])c1OCc1nonc1C ZINC000070269291 521380967 /nfs/dbraw/zinc/38/09/67/521380967.db2.gz PDQIMCCQQOHWIK-JTQLQIEISA-N 1 0 291.351 2.245 10 0 CEAERO CCN(Cc1cccs1)C(=O)c1cc[nH+]c(NN)c1 ZINC000051119097 521407337 /nfs/dbraw/zinc/40/73/37/521407337.db2.gz AWBZSXTWCFNZTQ-UHFFFAOYSA-N 1 0 276.365 2.091 10 0 CEAERO CCN(c1ncc(C[NH2+]CCOC)s1)C(C)C ZINC000054902434 521507176 /nfs/dbraw/zinc/50/71/76/521507176.db2.gz NWTZSGPJYXQFIB-UHFFFAOYSA-N 1 0 257.403 2.114 10 0 CEAERO CCC(CC)C[N@H+](CC)C[C@](NC(C)C)(C(N)=O)C1CC1 ZINC000069132121 521520503 /nfs/dbraw/zinc/52/05/03/521520503.db2.gz BUARHCWPUXUZHH-QGZVFWFLSA-N 1 0 297.487 2.377 10 0 CEAERO CCCc1nc(N2CCSCC2)sc1C[NH2+]C ZINC000054996183 521534448 /nfs/dbraw/zinc/53/44/48/521534448.db2.gz VCQZPPMROKEBGD-UHFFFAOYSA-N 1 0 271.455 2.368 10 0 CEAERO CCCc1nc(N2CCO[C@@H](C)C2)sc1C[NH2+]CC ZINC000054995662 521535004 /nfs/dbraw/zinc/53/50/04/521535004.db2.gz JBFOIUWSZYLQDE-NSHDSACASA-N 1 0 283.441 2.430 10 0 CEAERO CCCc1nc2cc(N)ccc2n1[C@@H]1CC[N@H+](C)C1 ZINC000052854682 521541133 /nfs/dbraw/zinc/54/11/33/521541133.db2.gz CUIXGXPFMJECHK-GFCCVEGCSA-N 1 0 258.369 2.448 10 0 CEAERO CC[NH+]1CCC(CNc2nccn(C(C)(C)C)c2=O)CC1 ZINC000061765714 521550535 /nfs/dbraw/zinc/55/05/35/521550535.db2.gz APQJGBTWLBEAGA-UHFFFAOYSA-N 1 0 292.427 2.142 10 0 CEAERO CCCC1N=NC(=S)N1[C@H](C[NH+](C)C)C(C)C ZINC000049219753 521570138 /nfs/dbraw/zinc/57/01/38/521570138.db2.gz WTJWHYSAUCPZNW-SNVBAGLBSA-N 1 0 256.419 2.278 10 0 CEAERO CCOc1ccccc1[C@@H](C)[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000069140958 521573720 /nfs/dbraw/zinc/57/37/20/521573720.db2.gz WIRFUZLGRZRLLD-OLZOCXBDSA-N 1 0 297.420 2.313 10 0 CEAERO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000055089561 521583793 /nfs/dbraw/zinc/58/37/93/521583793.db2.gz RGEIOHGMZHWSEC-NXEZZACHSA-N 1 0 266.307 2.305 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc2c1NCCC2 ZINC000050957477 521639324 /nfs/dbraw/zinc/63/93/24/521639324.db2.gz YVHNGYQPQPBZFU-CQSZACIVSA-N 1 0 287.407 2.259 10 0 CEAERO CCS(=O)(=O)CC[C@@]1(C[NH2+]C)CCCc2ccccc21 ZINC000054662422 521644932 /nfs/dbraw/zinc/64/49/32/521644932.db2.gz DYWXGLTUEFOYSU-MRXNPFEDSA-N 1 0 295.448 2.305 10 0 CEAERO CCS(=O)(=O)CC[C@H](C[NH2+]C1CC1)CC(C)C ZINC000052968593 521645721 /nfs/dbraw/zinc/64/57/21/521645721.db2.gz NBNYUVIHZYGZPJ-LBPRGKRZSA-N 1 0 261.431 2.226 10 0 CEAERO CCS(=O)(=O)CC[C@H](C[NH2+]CC(C)C)C(C)C ZINC000052972780 521645787 /nfs/dbraw/zinc/64/57/87/521645787.db2.gz SIJAFKDWCGCKBW-CYBMUJFWSA-N 1 0 263.447 2.329 10 0 CEAERO CC[N@@H+]1CCC[C@H](Nc2ccc(N)c(OC(C)C)n2)C1 ZINC000049193151 521650043 /nfs/dbraw/zinc/65/00/43/521650043.db2.gz SALOPODFAHLPRN-LBPRGKRZSA-N 1 0 278.400 2.347 10 0 CEAERO CCCn1ccnc1CNc1c[nH+]ccc1N(C)C ZINC000061877653 521663094 /nfs/dbraw/zinc/66/30/94/521663094.db2.gz SRUYQYVVOYNFRM-UHFFFAOYSA-N 1 0 259.357 2.366 10 0 CEAERO CCS(=O)(=O)c1ccc(OC2CCC([NH3+])CC2)cc1 ZINC000055143492 521690132 /nfs/dbraw/zinc/69/01/32/521690132.db2.gz HUERUNLVQVUGDV-UHFFFAOYSA-N 1 0 283.393 2.129 10 0 CEAERO CCNC(=O)CCOc1cccc2c1CC[C@@H]2[NH2+]CC ZINC000062799575 521736051 /nfs/dbraw/zinc/73/60/51/521736051.db2.gz ICBBMBQFMMLWHE-AWEZNQCLSA-N 1 0 276.380 2.188 10 0 CEAERO CNC(=O)c1ccc(C)c(NC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000054241977 521803447 /nfs/dbraw/zinc/80/34/47/521803447.db2.gz XVZJZYFBDBRJHO-AWEZNQCLSA-N 1 0 275.396 2.251 10 0 CEAERO C[NH+](C)C[C@@H](NC(=O)c1ccncc1)c1ccccc1 ZINC000052554664 521826790 /nfs/dbraw/zinc/82/67/90/521826790.db2.gz RRGKQBXYYQEACK-OAHLLOKOSA-N 1 0 269.348 2.114 10 0 CEAERO COCC[C@@H]([NH3+])c1nc(-c2ccc(OC)cc2)c(C)[nH]1 ZINC000052811107 521830765 /nfs/dbraw/zinc/83/07/65/521830765.db2.gz RFOXLTUWMVCBKA-CYBMUJFWSA-N 1 0 275.352 2.430 10 0 CEAERO CCc1ccccc1[C@@H](C[NH3+])N1CCC(OC)CC1 ZINC000052203495 521932313 /nfs/dbraw/zinc/93/23/13/521932313.db2.gz IPCLGQXVPINSTD-MRXNPFEDSA-N 1 0 262.397 2.360 10 0 CEAERO C[NH2+]C1CCC(NC(=O)c2cccc3ncccc32)CC1 ZINC000061412348 521947330 /nfs/dbraw/zinc/94/73/30/521947330.db2.gz UARLCMMDXIBLAM-UHFFFAOYSA-N 1 0 283.375 2.495 10 0 CEAERO CCc1ccccc1[C@H](C[NH3+])N(CC)CCOC ZINC000052203760 521953986 /nfs/dbraw/zinc/95/39/86/521953986.db2.gz GTVBOANBBJFZSP-HNNXBMFYSA-N 1 0 250.386 2.217 10 0 CEAERO C[NH2+]CCCc1nnc(-c2ccc(C)c(OC)c2)o1 ZINC000050616681 522000479 /nfs/dbraw/zinc/00/04/79/522000479.db2.gz RHKXEQPZESTBOL-UHFFFAOYSA-N 1 0 261.325 2.206 10 0 CEAERO COCCc1ccc(OCc2cccnc2C[NH3+])cc1 ZINC000061657525 522011442 /nfs/dbraw/zinc/01/14/42/522011442.db2.gz ZNRHOLWUSHODTR-UHFFFAOYSA-N 1 0 272.348 2.308 10 0 CEAERO C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H](OC)c1ccccc1 ZINC000070191606 522018477 /nfs/dbraw/zinc/01/84/77/522018477.db2.gz OHTDJYZHCJPWLL-CVEARBPZSA-N 1 0 290.407 2.365 10 0 CEAERO C[NH2+]CCc1nnc(-c2ccc(F)cc2Cl)o1 ZINC000050619657 522022597 /nfs/dbraw/zinc/02/25/97/522022597.db2.gz KYLMLAJIAIAGBX-UHFFFAOYSA-N 1 0 255.680 2.291 10 0 CEAERO COCCc1nc(C)c([C@H](C)C[NH2+]C2CC2)c(C)n1 ZINC000054855069 522031714 /nfs/dbraw/zinc/03/17/14/522031714.db2.gz APZQQJPDXBATID-SNVBAGLBSA-N 1 0 263.385 2.138 10 0 CEAERO C[NH2+]C[C@H](C)c1c(C)nc(Cc2cccnc2)nc1C ZINC000054854616 522072176 /nfs/dbraw/zinc/07/21/76/522072176.db2.gz IFQUAVKJGYXABJ-NSHDSACASA-N 1 0 270.380 2.402 10 0 CEAERO C[NH2+]C[C@H](C)c1c(C)nc(-c2ccccn2)nc1C ZINC000054854676 522072233 /nfs/dbraw/zinc/07/22/33/522072233.db2.gz UWKHEFWUCGMMKM-JTQLQIEISA-N 1 0 256.353 2.478 10 0 CEAERO C[NH2+]C[C@H](CCS(C)(=O)=O)Cc1ccc(Cl)cc1 ZINC000052975204 522074798 /nfs/dbraw/zinc/07/47/98/522074798.db2.gz SKDMCQGSTBQYHV-GFCCVEGCSA-N 1 0 289.828 2.153 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1C(=O)CCc1ccc(OC)cc1 ZINC000063167598 522077756 /nfs/dbraw/zinc/07/77/56/522077756.db2.gz CZKASHITTYCADS-OAHLLOKOSA-N 1 0 290.407 2.228 10 0 CEAERO C[NH2+]C[C@H]1Cc2ccccc2CN1c1ncccc1F ZINC000054701264 522099015 /nfs/dbraw/zinc/09/90/15/522099015.db2.gz MQENKVGJLNWEJQ-CQSZACIVSA-N 1 0 271.339 2.371 10 0 CEAERO C[NH2+]Cc1cc(CN(C)CC(F)(F)F)oc1C ZINC000052483267 522103334 /nfs/dbraw/zinc/10/33/34/522103334.db2.gz MDAHTYHYQZPQLU-UHFFFAOYSA-N 1 0 250.264 2.302 10 0 CEAERO C[NH2+]Cc1cc(Cl)ccc1OCCn1cccn1 ZINC000049313621 522111833 /nfs/dbraw/zinc/11/18/33/522111833.db2.gz LFPNVSDNIMOGJJ-UHFFFAOYSA-N 1 0 265.744 2.335 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc(N)c(C)c2)CC1 ZINC000055063478 522115852 /nfs/dbraw/zinc/11/58/52/522115852.db2.gz QMNCOQXBPHTGIL-CYBMUJFWSA-N 1 0 275.396 2.134 10 0 CEAERO C[NH2+]Cc1cccc(OCCn2cnc(C)c2C)c1 ZINC000052593545 522134622 /nfs/dbraw/zinc/13/46/22/522134622.db2.gz YXJHDJROWKHXEV-UHFFFAOYSA-N 1 0 259.353 2.298 10 0 CEAERO C[NH2+]Cc1ccnc(-c2cc(F)c(F)c(F)c2)n1 ZINC000054791148 522140323 /nfs/dbraw/zinc/14/03/23/522140323.db2.gz JIEFWKIBCJDIPN-UHFFFAOYSA-N 1 0 253.227 2.280 10 0 CEAERO CC[C@@H](C)SC[C@]([NH2+]C(C)C)(C(N)=O)C1CC1 ZINC000069185076 522273299 /nfs/dbraw/zinc/27/32/99/522273299.db2.gz VAHRXQKNFNFZNO-ZWNOBZJWSA-N 1 0 258.431 2.150 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(F)cc1OCc1noc(C)n1 ZINC000062746221 522331821 /nfs/dbraw/zinc/33/18/21/522331821.db2.gz DHVLKLWBISGPJE-QMMMGPOBSA-N 1 0 265.288 2.377 10 0 CEAERO CC[C@H]([NH3+])Cc1ccc(OC)c(O[C@H]2CCOC2)c1 ZINC000070072723 522333936 /nfs/dbraw/zinc/33/39/36/522333936.db2.gz XSSGKILFCWRGSQ-STQMWFEESA-N 1 0 265.353 2.143 10 0 CEAERO C[NH2+][C@@H](C)c1cnn(Cc2ccc(F)cc2F)c1 ZINC000054720907 522340586 /nfs/dbraw/zinc/34/05/86/522340586.db2.gz XIFIEWBIRRYQDW-VIFPVBQESA-N 1 0 251.280 2.490 10 0 CEAERO C[NH2+][C@@H](CC[NH+]1CCC(Cc2ccccc2)CC1)C(=O)[O-] ZINC000062444595 522344471 /nfs/dbraw/zinc/34/44/71/522344471.db2.gz HFOODEHWVBGEKV-INIZCTEOSA-N 1 0 290.407 2.004 10 0 CEAERO C[NH2+][C@@H](Cc1ccncc1)Cc1cccc(OC)c1 ZINC000060709077 522362364 /nfs/dbraw/zinc/36/23/64/522362364.db2.gz XSGBHVNTORARRC-HNNXBMFYSA-N 1 0 256.349 2.463 10 0 CEAERO COc1cc(C[NH3+])ccc1OCCc1cccnc1 ZINC000063221475 522366671 /nfs/dbraw/zinc/36/66/71/522366671.db2.gz JSVCBUIZTXTPMG-UHFFFAOYSA-N 1 0 258.321 2.170 10 0 CEAERO COc1cc(C[NH3+])ccc1O[C@@H]1CCC[C@H](OC)C1 ZINC000070321621 522366895 /nfs/dbraw/zinc/36/68/95/522366895.db2.gz ZXQCIMDXYRTLQA-QWHCGFSZSA-N 1 0 265.353 2.490 10 0 CEAERO C[NH2+][C@@H](c1ccc2c(c1)CC(=O)N2)[C@@H]1CCCCO1 ZINC000050961582 522369089 /nfs/dbraw/zinc/36/90/89/522369089.db2.gz UBNVNHDTJPAGFW-ZFWWWQNUSA-N 1 0 260.337 2.011 10 0 CEAERO C[NH2+][C@@H](c1ccc2c(c1)CCC(=O)N2C)[C@H]1CCCCO1 ZINC000062806517 522369174 /nfs/dbraw/zinc/36/91/74/522369174.db2.gz OOUNZWIUGGAINT-WBVHZDCISA-N 1 0 288.391 2.425 10 0 CEAERO C[NH2+][C@@H](c1ccc(OC)c(OC)c1)C1CCOCC1 ZINC000061671596 522369516 /nfs/dbraw/zinc/36/95/16/522369516.db2.gz JQQFLBAQXUMZGX-OAHLLOKOSA-N 1 0 265.353 2.391 10 0 CEAERO C[NH2+][C@@H](c1ccc2c(c1)CCC(=O)N2C)[C@@H]1CCCCO1 ZINC000062806515 522369840 /nfs/dbraw/zinc/36/98/40/522369840.db2.gz OOUNZWIUGGAINT-RDJZCZTQSA-N 1 0 288.391 2.425 10 0 CEAERO CCc1nc(N2CCO[C@H]3CCCC[C@@H]32)sc1C[NH3+] ZINC000055001794 522387749 /nfs/dbraw/zinc/38/77/49/522387749.db2.gz QTRHVCHKRJBITR-RYUDHWBXSA-N 1 0 281.425 2.312 10 0 CEAERO CCc1nc(N2C[C@H]3CC[C@@H]2C3)sc1C[NH2+]C ZINC000055000150 522391036 /nfs/dbraw/zinc/39/10/36/522391036.db2.gz KQZOGKLNGWGETI-VHSXEESVSA-N 1 0 251.399 2.414 10 0 CEAERO CCc1nc(NC(=O)C[NH2+]C2CCCC2)sc1C ZINC000049184635 522393979 /nfs/dbraw/zinc/39/39/79/522393979.db2.gz VAZOSBQOPWNRDH-UHFFFAOYSA-N 1 0 267.398 2.485 10 0 CEAERO C[NH2+][C@@H]1CCc2c1cccc2O[C@H](C)C(=O)N1CCCC1 ZINC000062799271 522397341 /nfs/dbraw/zinc/39/73/41/522397341.db2.gz NLLLDAHSJZOVLO-IUODEOHRSA-N 1 0 288.391 2.283 10 0 CEAERO C[NH2+][C@@H]1COc2cc(OCc3ccncc3)ccc21 ZINC000062804463 522399768 /nfs/dbraw/zinc/39/97/68/522399768.db2.gz VDMPZBJXBFZEAC-CQSZACIVSA-N 1 0 256.305 2.314 10 0 CEAERO CC[C@@H](C)[C@H]1C[NH2+][C@H](C(C)C)CN1Cc1cnn(C)c1 ZINC000068703222 522403167 /nfs/dbraw/zinc/40/31/67/522403167.db2.gz FGTPLWUVUJSYCV-VNQPRFMTSA-N 1 0 278.444 2.265 10 0 CEAERO C[NH2+][C@@](C)(CCCCOCCCC(C)C)C(N)=O ZINC000045474901 522406190 /nfs/dbraw/zinc/40/61/90/522406190.db2.gz MBNRQGKFABFUGZ-AWEZNQCLSA-N 1 0 258.406 2.073 10 0 CEAERO C[NH2+][C@@](C)(CO)c1ccc(F)c(Br)c1 ZINC000061689762 522412341 /nfs/dbraw/zinc/41/23/41/522412341.db2.gz IGBCVVTUGDIQMU-JTQLQIEISA-N 1 0 262.122 2.015 10 0 CEAERO COc1cc(C[NH2+]C(C)(C)C)ccc1OCCCO ZINC000062731827 522439327 /nfs/dbraw/zinc/43/93/27/522439327.db2.gz SUYQIPRYHOFLPD-UHFFFAOYSA-N 1 0 267.369 2.345 10 0 CEAERO COc1cc(C[NH2+]C2CC2)c(-c2cnccn2)cc1OC ZINC000069499158 522441703 /nfs/dbraw/zinc/44/17/03/522441703.db2.gz FDFIZACDOOHEQZ-UHFFFAOYSA-N 1 0 285.347 2.413 10 0 CEAERO COc1cc(C[NH2+]CC(C)C)ccc1OC[C@@H](C)O ZINC000062731861 522444701 /nfs/dbraw/zinc/44/47/01/522444701.db2.gz NNFPBZPBGOZKKA-GFCCVEGCSA-N 1 0 267.369 2.200 10 0 CEAERO C[NH2+][C@H](C)c1sc(N2CCSCC2)nc1C ZINC000054901759 522457221 /nfs/dbraw/zinc/45/72/21/522457221.db2.gz DKOXACGKWMPVFO-MRVPVSSYSA-N 1 0 257.428 2.285 10 0 CEAERO C[NH2+][C@H](C)c1ccc(NC(=O)[C@H]2CCCCO2)cc1 ZINC000050959760 522448419 /nfs/dbraw/zinc/44/84/19/522448419.db2.gz FWGHFBYMIRTUAL-BXUZGUMPSA-N 1 0 262.353 2.475 10 0 CEAERO C[NH2+][C@H](C)c1ccc(NC(=O)NC[C@H]2CCOC2)cc1 ZINC000061148541 522449384 /nfs/dbraw/zinc/44/93/84/522449384.db2.gz LDMUGPUTMKCYKN-VXGBXAGGSA-N 1 0 277.368 2.125 10 0 CEAERO C[NH2+][C@H](C)c1nnc(-c2cccc(OC)c2OC)o1 ZINC000050618389 522455598 /nfs/dbraw/zinc/45/55/98/522455598.db2.gz WQFGGEILAJRUEH-MRVPVSSYSA-N 1 0 263.297 2.034 10 0 CEAERO C[NH2+][C@H](CCOc1ccc(C(C)(C)C)cc1C)C(N)=O ZINC000062594762 522461305 /nfs/dbraw/zinc/46/13/05/522461305.db2.gz ZNTUZYBWELTMQF-CYBMUJFWSA-N 1 0 278.396 2.135 10 0 CEAERO C[NH2+][C@H](CN1CCN(C)C1=O)c1cc2ccccc2o1 ZINC000052885601 522466075 /nfs/dbraw/zinc/46/60/75/522466075.db2.gz QWRDAGNEQGDIKF-GFCCVEGCSA-N 1 0 273.336 2.061 10 0 CEAERO C[NH2+][C@H](CCn1c2ccccc2c2ccccc21)C(N)=O ZINC000062535881 522466459 /nfs/dbraw/zinc/46/64/59/522466459.db2.gz YKFPJVLSBHMOEQ-CQSZACIVSA-N 1 0 281.359 2.258 10 0 CEAERO CCc1[nH+]c2cc(N)ccc2n1CCc1nccn1C ZINC000052854828 522486106 /nfs/dbraw/zinc/48/61/06/522486106.db2.gz NPXHVHWHYUTBEL-UHFFFAOYSA-N 1 0 269.352 2.157 10 0 CEAERO CCc1[nH+]c2cc(N)ccc2n1Cc1cnc(C)cn1 ZINC000061322715 522486340 /nfs/dbraw/zinc/48/63/40/522486340.db2.gz UWFVVRPYSSPCSN-UHFFFAOYSA-N 1 0 267.336 2.328 10 0 CEAERO CN[C@](C)(CCCC[NH+]1Cc2ccccc2C1)C(=O)OC ZINC000050912343 522514446 /nfs/dbraw/zinc/51/44/46/522514446.db2.gz UXJOUFXNHMCFPB-QGZVFWFLSA-N 1 0 290.407 2.324 10 0 CEAERO C[NH2+][C@](C)(CO)CCCCN1CCN(C)c2ccccc21 ZINC000070335558 522519138 /nfs/dbraw/zinc/51/91/38/522519138.db2.gz IPRWWHUDRKYMOB-KRWDZBQOSA-N 1 0 291.439 2.084 10 0 CEAERO CNc1ccc(C(=O)N(CC[NH+](C)C)CC(C)C)cc1 ZINC000050774405 522582023 /nfs/dbraw/zinc/58/20/23/522582023.db2.gz RSKASUGZTGZSJA-UHFFFAOYSA-N 1 0 277.412 2.388 10 0 CEAERO CNc1ccc(C)cc1C(=O)N1CCC([NH+](C)C)CC1 ZINC000053001428 522601847 /nfs/dbraw/zinc/60/18/47/522601847.db2.gz JATFTNWQTRMEEV-UHFFFAOYSA-N 1 0 275.396 2.203 10 0 CEAERO COc1cc(F)ccc1NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000049569935 522608850 /nfs/dbraw/zinc/60/88/50/522608850.db2.gz YSUANJDBJBMFJN-ZDUSSCGKSA-N 1 0 288.322 2.343 10 0 CEAERO CC[C@H]([NH2+]C[C@@H](O)c1ccc2c(c1)OCO2)C(C)C ZINC000049130188 522612539 /nfs/dbraw/zinc/61/25/39/522612539.db2.gz UNJZDHQCICCDJE-QWHCGFSZSA-N 1 0 265.353 2.473 10 0 CEAERO CNc1ccc(Cl)c(CN2CC[NH+](CC3CC3)CC2)n1 ZINC000061639039 522622470 /nfs/dbraw/zinc/62/24/70/522622470.db2.gz QMNHQFMSHGYYNN-UHFFFAOYSA-N 1 0 294.830 2.304 10 0 CEAERO CC[C@@H]([NH3+])Cc1cccc(OC)c1OCc1ncccn1 ZINC000054461832 522642341 /nfs/dbraw/zinc/64/23/41/522642341.db2.gz OMJDTRUNIDEFRQ-CYBMUJFWSA-N 1 0 287.363 2.344 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](OCC1CCOCC1)C(F)(F)F ZINC000052150094 522647393 /nfs/dbraw/zinc/64/73/93/522647393.db2.gz PTNGHKOCWAFPKX-NXEZZACHSA-N 1 0 255.280 2.098 10 0 CEAERO CC[C@@H]([NH3+])[C@](O)(c1ccc(OC)cc1OC)C(F)(F)F ZINC000062784702 522655284 /nfs/dbraw/zinc/65/52/84/522655284.db2.gz AUCGZBZJNAZZQR-VXGBXAGGSA-N 1 0 293.285 2.191 10 0 CEAERO CC[C@@H](NC(=O)c1c[nH+]c(NN)c(Cl)c1)C(C)C ZINC000051113496 522798503 /nfs/dbraw/zinc/79/85/03/522798503.db2.gz UXVBHUMGAHHOQX-SNVBAGLBSA-N 1 0 270.764 2.185 10 0 CEAERO COC[C@H](O)COc1ccc(C[NH2+]C(C)C)cc1Cl ZINC000069053729 522807730 /nfs/dbraw/zinc/80/77/30/522807730.db2.gz AJIPNGFVPIFACX-LBPRGKRZSA-N 1 0 287.787 2.224 10 0 CEAERO COc1cc(OC)cc([C@H](O)[C@@H]([NH3+])CC(C)C)c1 ZINC000054929293 522883444 /nfs/dbraw/zinc/88/34/44/522883444.db2.gz QNQZYNYABGGRKK-KBPBESRZSA-N 1 0 253.342 2.111 10 0 CEAERO CC[C@H](Oc1ccccc1C[NH2+]CC(C)C)C(N)=O ZINC000062729487 522895446 /nfs/dbraw/zinc/89/54/46/522895446.db2.gz GXKKGVOKSSEPBN-ZDUSSCGKSA-N 1 0 264.369 2.075 10 0 CEAERO COCc1cccc(NC(=O)[C@H]2CCC[C@H](C)[NH2+]2)c1 ZINC000049511984 523072829 /nfs/dbraw/zinc/07/28/29/523072829.db2.gz YRZMFUIYVXXCTR-SMDDNHRTSA-N 1 0 262.353 2.302 10 0 CEAERO COCc1cccc(OCc2ccc[nH+]c2NN)c1 ZINC000070095940 523082581 /nfs/dbraw/zinc/08/25/81/523082581.db2.gz ATQUYCQTJYVFOR-UHFFFAOYSA-N 1 0 259.309 2.093 10 0 CEAERO COC(=O)CC[C@@H]([NH3+])Cc1cccc(OC(C)C)c1 ZINC000061893336 523112490 /nfs/dbraw/zinc/11/24/90/523112490.db2.gz GRBVHXSJYJCBFC-CYBMUJFWSA-N 1 0 265.353 2.297 10 0 CEAERO COC(=O)COc1ccc(OC)cc1C[NH2+]C(C)(C)C ZINC000062727557 523227571 /nfs/dbraw/zinc/22/75/71/523227571.db2.gz BURVNOYGSSLTSO-UHFFFAOYSA-N 1 0 281.352 2.135 10 0 CEAERO COc1ccc(-c2ncc([C@@H](C)[NH3+])c(C)n2)cc1OC ZINC000054962514 523237717 /nfs/dbraw/zinc/23/77/17/523237717.db2.gz DVWYWCWRWMFEDI-SECBINFHSA-N 1 0 273.336 2.489 10 0 CEAERO COc1ccc(-c2nccc(C[C@H](C)[NH3+])n2)cc1OC ZINC000054834404 523238619 /nfs/dbraw/zinc/23/86/19/523238619.db2.gz YVWBVGYRJDKRJQ-JTQLQIEISA-N 1 0 273.336 2.051 10 0 CEAERO COCCCN(CCOC)[C@H](C[NH2+]C(C)(C)C)C(C)C ZINC000052543174 523259046 /nfs/dbraw/zinc/25/90/46/523259046.db2.gz JXYXOIUNNLAMFA-OAHLLOKOSA-N 1 0 288.476 2.384 10 0 CEAERO CCn1c2ccc(F)cc2nc1[C@@H]([NH3+])CCOC ZINC000052785228 523267832 /nfs/dbraw/zinc/26/78/32/523267832.db2.gz DYYCGSLWTYOGEP-JTQLQIEISA-N 1 0 251.305 2.232 10 0 CEAERO CO[C@@H](C(=O)NCC[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000050437501 523323437 /nfs/dbraw/zinc/32/34/37/523323437.db2.gz XMJQDHOJRZLWIB-LSDHHAIUSA-N 1 0 276.380 2.023 10 0 CEAERO CC[C@H]1COCCN1c1ncc(C[NH2+]C(C)C)s1 ZINC000054904672 523338220 /nfs/dbraw/zinc/33/82/20/523338220.db2.gz XYLGURBTRZFZGO-NSHDSACASA-N 1 0 269.414 2.256 10 0 CEAERO CC[C@H]1CO[C@@H](C)CN1c1ccc(C[NH2+]CC(C)C)nn1 ZINC000051518809 523346421 /nfs/dbraw/zinc/34/64/21/523346421.db2.gz QBDRQZCXLXBKBD-ZFWWWQNUSA-N 1 0 292.427 2.226 10 0 CEAERO CCn1cc(CC(CC)(CC)C[NH2+]CCOC)cn1 ZINC000054659008 523363427 /nfs/dbraw/zinc/36/34/27/523363427.db2.gz AXPAOLFZPGWYQI-UHFFFAOYSA-N 1 0 267.417 2.488 10 0 CEAERO CCn1cc(C[C@@H](Cc2ccccc2OC)[NH2+]C)cn1 ZINC000050543005 523394464 /nfs/dbraw/zinc/39/44/64/523394464.db2.gz WHGBAZSWDNJVJD-HNNXBMFYSA-N 1 0 273.380 2.285 10 0 CEAERO CN(Cc1cccnc1)C[C@](C)([NH3+])c1ccccc1 ZINC000052883321 523416792 /nfs/dbraw/zinc/41/67/92/523416792.db2.gz WBWPVMMFGZYVMS-INIZCTEOSA-N 1 0 255.365 2.388 10 0 CEAERO CC[C@@H]1CN[C@@H](C(C)C)C[N@@H+]1CC1CCOCC1 ZINC000068695333 523487012 /nfs/dbraw/zinc/48/70/12/523487012.db2.gz 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AFGZANFCPIVMGN-NSHDSACASA-N 1 0 277.393 2.346 10 0 CEAERO COCC[NH2+]C[C@H]1C[C@H]1c1c(OC)cc(OC)cc1OC ZINC000054598736 523944623 /nfs/dbraw/zinc/94/46/23/523944623.db2.gz PCWLOMIKMZRSFF-DGCLKSJQSA-N 1 0 295.379 2.052 10 0 CEAERO COCC[NH2+]Cc1c(C)nn(C)c1N(C)c1ccccc1 ZINC000062734235 523947200 /nfs/dbraw/zinc/94/72/00/523947200.db2.gz PFTBSWRNVNIWCF-UHFFFAOYSA-N 1 0 288.395 2.232 10 0 CEAERO COCC[NH2+]Cc1ccccc1N(CCO)C1CCCC1 ZINC000062737725 523955855 /nfs/dbraw/zinc/95/58/55/523955855.db2.gz RDRFTMYYOZCAQL-UHFFFAOYSA-N 1 0 292.423 2.164 10 0 CEAERO COCC[NH2+]Cc1cnc(N(C)[C@@H](C)C(C)C)s1 ZINC000054904448 523957031 /nfs/dbraw/zinc/95/70/31/523957031.db2.gz JQJZZTVMFMEGOK-NSHDSACASA-N 1 0 271.430 2.360 10 0 CEAERO CC[C@H](C)[NH+]1CCN(c2cc(Cl)ncn2)CC1 ZINC000055084642 523960927 /nfs/dbraw/zinc/96/09/27/523960927.db2.gz LSQYNYMXHBPYBX-JTQLQIEISA-N 1 0 254.765 2.051 10 0 CEAERO CO[C@H]1CCC[C@@H](OC(=O)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000070323085 523976862 /nfs/dbraw/zinc/97/68/62/523976862.db2.gz ZCJNWCJQEDNYJE-MELADBBJSA-N 1 0 269.385 2.267 10 0 CEAERO CCc1ccc(NS(=O)(=O)CCC[NH2+]C(C)C)cc1 ZINC000049641908 523995946 /nfs/dbraw/zinc/99/59/46/523995946.db2.gz YNCTVJNHKRADDC-UHFFFAOYSA-N 1 0 284.425 2.379 10 0 CEAERO COC(=O)[C@](C)(C[C@@H](C)[NH+]1CCCCCC1)NC1CC1 ZINC000068619697 524000042 /nfs/dbraw/zinc/00/00/42/524000042.db2.gz SGHPBZWKMZTMJU-CJNGLKHVSA-N 1 0 282.428 2.325 10 0 CEAERO CCc1ccc(O[C@H](C)C[C@@](C)([NH2+]C2CC2)C(N)=O)cc1 ZINC000068655635 524007684 /nfs/dbraw/zinc/00/76/84/524007684.db2.gz DCOQTBOUVOICJX-SJKOYZFVSA-N 1 0 290.407 2.402 10 0 CEAERO COCCO[C@@H](C[NH2+]C(C)C)c1ccccc1OC ZINC000050496046 524029261 /nfs/dbraw/zinc/02/92/61/524029261.db2.gz UYTTUPOGGBXCGY-HNNXBMFYSA-N 1 0 267.369 2.397 10 0 CEAERO C[NH+](C)CCCCNC(=O)c1cccc2c1NCCC2 ZINC000050958161 524052151 /nfs/dbraw/zinc/05/21/51/524052151.db2.gz ZRZRMPMDTCQKDK-UHFFFAOYSA-N 1 0 275.396 2.116 10 0 CEAERO CNC(=O)CCCOc1cccc(C[NH2+]CC(C)C)c1 ZINC000068816867 524065484 /nfs/dbraw/zinc/06/54/84/524065484.db2.gz AMHQSHMSBJEOOX-UHFFFAOYSA-N 1 0 278.396 2.337 10 0 CEAERO COc1ccc(C[NH2+]C(C)(C)C)cc1OC[C@@H](C)C(N)=O ZINC000062732447 524068787 /nfs/dbraw/zinc/06/87/87/524068787.db2.gz ATUDIDFYLURRGD-LLVKDONJSA-N 1 0 294.395 2.084 10 0 CEAERO Cc1cccc(-c2nc(CN3[C@H](C)C[NH2+]C[C@@H]3C)no2)c1 ZINC000069134352 524120901 /nfs/dbraw/zinc/12/09/01/524120901.db2.gz FNQMBLOKAVGXPI-BETUJISGSA-N 1 0 286.379 2.227 10 0 CEAERO C[C@H]1CCC[C@@H]([N@H+](C)CC2(CO)CCOCC2)C1 ZINC000052199593 524142330 /nfs/dbraw/zinc/14/23/30/524142330.db2.gz DBGBYQXSMSYKLI-UONOGXRCSA-N 1 0 255.402 2.286 10 0 CEAERO COc1ccc(C[C@H]([NH3+])C[C@H]2CCCO2)cc1F ZINC000053817674 524156272 /nfs/dbraw/zinc/15/62/72/524156272.db2.gz AOGJTUONEKJNKU-NWDGAFQWSA-N 1 0 253.317 2.273 10 0 CEAERO Cc1cccc(C(=O)CN2CCC[C@@H]2C[NH+](C)C)c1 ZINC000061645742 524159863 /nfs/dbraw/zinc/15/98/63/524159863.db2.gz XUYJDKPIZJLFIL-OAHLLOKOSA-N 1 0 260.381 2.204 10 0 CEAERO COc1cccc([C@H](O)[C@@H]([NH3+])Cc2ccccc2)c1OC ZINC000054685522 524166308 /nfs/dbraw/zinc/16/63/08/524166308.db2.gz VWVNSUQFBFEPKK-HOCLYGCPSA-N 1 0 287.359 2.307 10 0 CEAERO C[C@H]1CCC[C@H](C[NH3+])N1Cc1nc(-c2ccccc2)no1 ZINC000070154447 524194737 /nfs/dbraw/zinc/19/47/37/524194737.db2.gz HPAGUBXXWZQJGP-GXTWGEPZSA-N 1 0 286.379 2.438 10 0 CEAERO C[C@H]1CCC[C@H](CNC(=O)c2cccc(N(C)C)c2)[NH2+]1 ZINC000051573561 524198166 /nfs/dbraw/zinc/19/81/66/524198166.db2.gz CMQPOSBZDSPHRU-GXTWGEPZSA-N 1 0 275.396 2.013 10 0 CEAERO C[C@H]1CCC[C@H](N(C)S(=O)(=O)c2ccc(C[NH3+])cc2)C1 ZINC000049013972 524202977 /nfs/dbraw/zinc/20/29/77/524202977.db2.gz RGIQMFHAJAHHNG-JSGCOSHPSA-N 1 0 296.436 2.345 10 0 CEAERO C[C@H]1CCC[C@](C[NH3+])(NC(=O)CC[C@@H]2CCCCO2)C1 ZINC000069405700 524223368 /nfs/dbraw/zinc/22/33/68/524223368.db2.gz UZIWMNOHIOWDAP-DZKIICNBSA-N 1 0 282.428 2.360 10 0 CEAERO C[C@@H]1CCC[N@H+](Cc2ccnc(C(N)=S)c2)CC1 ZINC000068753074 524236143 /nfs/dbraw/zinc/23/61/43/524236143.db2.gz AUKXPQMYEQMJQT-LLVKDONJSA-N 1 0 263.410 2.338 10 0 CEAERO C[C@@H]1CCCN(S(=O)(=O)Cc2cccc(C[NH3+])c2)[C@@H]1C ZINC000050564980 524239413 /nfs/dbraw/zinc/23/94/13/524239413.db2.gz VZKBGWDRBMHNRA-CHWSQXEVSA-N 1 0 296.436 2.096 10 0 CEAERO C[C@@H]1CCC[NH2+][C@H]1C(=O)N[C@@H]1CCc2ccccc2C1 ZINC000051813309 524262747 /nfs/dbraw/zinc/26/27/47/524262747.db2.gz AOEASQBTWZLYDV-DAXOMENPSA-N 1 0 272.392 2.048 10 0 CEAERO COc1ccccc1-c1nc(C)c(CC[NH3+])c(C)n1 ZINC000054836667 524280957 /nfs/dbraw/zinc/28/09/57/524280957.db2.gz JUBONDQSPPREBC-UHFFFAOYSA-N 1 0 257.337 2.270 10 0 CEAERO C[C@@H]1CCC[C@@H](CN2C(=O)CC3(CCCCC3)C2=O)[NH2+]1 ZINC000051574791 524288507 /nfs/dbraw/zinc/28/85/07/524288507.db2.gz SBKCPNGPJNMRFN-OLZOCXBDSA-N 1 0 278.396 2.226 10 0 CEAERO Cc1ccc(CCC(=O)N2[C@H](C)C[NH2+]C[C@@H]2C)cc1 ZINC000069132902 524290719 /nfs/dbraw/zinc/29/07/19/524290719.db2.gz PZXHUKKMPVBRJG-OKILXGFUSA-N 1 0 260.381 2.136 10 0 CEAERO C[C@H](C[NH+]1CCCCC1)NC1N=NC(=S)S1 ZINC000049502252 524335553 /nfs/dbraw/zinc/33/55/53/524335553.db2.gz UWFPXWOKFRFSAZ-MRVPVSSYSA-N 1 0 258.416 2.113 10 0 CEAERO Cc1cccc(CC(=O)N[C@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000052127764 524344791 /nfs/dbraw/zinc/34/47/91/524344791.db2.gz JERLMUBSKJPTKP-HIFRSBDPSA-N 1 0 260.381 2.184 10 0 CEAERO C[C@@H]1CCC[C@H](C(=O)NCC2CCCCC2)[C@@H]1[NH3+] ZINC000055127171 524345988 /nfs/dbraw/zinc/34/59/88/524345988.db2.gz AOXJSLFEHILZCG-KWCYVHTRSA-N 1 0 252.402 2.446 10 0 CEAERO C[C@H]1CC[C@@H](NC(=O)[C@@H]([NH3+])Cc2ccccc2)C[C@@H]1C ZINC000068584355 524366750 /nfs/dbraw/zinc/36/67/50/524366750.db2.gz HJGKAPSRVGIPBJ-UGQVUOCMSA-N 1 0 274.408 2.497 10 0 CEAERO Cc1ccc(CN(C)c2nc(C)c(C[NH3+])s2)o1 ZINC000054997141 524404150 /nfs/dbraw/zinc/40/41/50/524404150.db2.gz AIHMLWXENSKTQZ-UHFFFAOYSA-N 1 0 251.355 2.448 10 0 CEAERO C[C@@H]1CCN(C(=O)C2CCC(C[NH3+])CC2)[C@H](C)C1 ZINC000055148186 524441161 /nfs/dbraw/zinc/44/11/61/524441161.db2.gz SCNJGPSJWBCQQO-IWMBGFJWSA-N 1 0 252.402 2.399 10 0 CEAERO C[C@H](CNC(=O)c1ccc(N)c(F)c1)C[NH+]1CCCCC1 ZINC000054413282 524462376 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COBKKZOFXHABAO-ZDUSSCGKSA-N 1 0 278.377 2.059 10 0 CEAERO C[C@]([NH3+])(C(=O)N1CCOc2ccccc21)c1ccccc1 ZINC000052882715 525145099 /nfs/dbraw/zinc/14/50/99/525145099.db2.gz SVNMBTULCVTCRJ-QGZVFWFLSA-N 1 0 282.343 2.286 10 0 CEAERO C[C@]([NH3+])(C(=O)NCc1ccccc1F)c1ccccc1 ZINC000052881189 525145590 /nfs/dbraw/zinc/14/55/90/525145590.db2.gz ZWDHRINLITVGPF-MRXNPFEDSA-N 1 0 272.323 2.316 10 0 CEAERO C[C@H](NC(=O)[C@@H]1[NH2+]CCC[C@@H]1C)c1ccc(F)cc1 ZINC000051793785 525156916 /nfs/dbraw/zinc/15/69/16/525156916.db2.gz ZGRIUARLVXUKSY-COPLHBTASA-N 1 0 264.344 2.391 10 0 CEAERO C[C@H](NC(=O)[C@@]1(C)CC[NH2+]C1)c1cc(F)ccc1F ZINC000062891814 525159633 /nfs/dbraw/zinc/15/96/33/525159633.db2.gz ZIKGLRAFYWRNMB-XPTSAGLGSA-N 1 0 268.307 2.142 10 0 CEAERO COc1ccc([C@@H](C)O)cc1CN(C)CC[NH+]1CCCC1 ZINC000063052885 525166866 /nfs/dbraw/zinc/16/68/66/525166866.db2.gz LMQUEWOEMBBUBB-CQSZACIVSA-N 1 0 292.423 2.276 10 0 CEAERO C[C@]1(C(=O)N2CCC[C@@H]2C2CCCC2)CC[NH2+]C1 ZINC000062902783 525191165 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COc1ccc([C@H]([NH2+]C[C@H]2CCC(=O)N2)C2CC2)cc1 ZINC000070210853 525371240 /nfs/dbraw/zinc/37/12/40/525371240.db2.gz IORDZOBPMSQPHF-CZUORRHYSA-N 1 0 274.364 2.015 10 0 CEAERO C[C@H]([NH2+]CCc1nncn1C)c1cnc2ccsc2c1 ZINC000068692059 525375540 /nfs/dbraw/zinc/37/55/40/525375540.db2.gz HOXXBKMKLGFQKB-JTQLQIEISA-N 1 0 287.392 2.318 10 0 CEAERO C[C@@H]1C[C@H](C)CN(C(=O)[C@@H]2CCC[C@H]([NH3+])[C@@H]2C)C1 ZINC000055123679 525378641 /nfs/dbraw/zinc/37/86/41/525378641.db2.gz HJMDUAQEGKYGDY-ITGHMWBKSA-N 1 0 252.402 2.254 10 0 CEAERO CSCCCCC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000150959628 525396753 /nfs/dbraw/zinc/39/67/53/525396753.db2.gz FXZFPTWHMAFACF-ZDUSSCGKSA-N 1 0 270.442 2.216 10 0 CEAERO C[C@H]([NH2+]C[C@@H]1CN(c2ccccc2)C(=O)O1)[C@@H]1CCCO1 ZINC000183220704 525397567 /nfs/dbraw/zinc/39/75/67/525397567.db2.gz LDNOWHJOADTSGX-CFVMTHIKSA-N 1 0 290.363 2.169 10 0 CEAERO C[C@@H]([NH2+]C1c2ccccc2Cc2ccccc21)C(N)=O ZINC000061669835 525404575 /nfs/dbraw/zinc/40/45/75/525404575.db2.gz YJWRLHKHNIYARY-LLVKDONJSA-N 1 0 266.344 2.144 10 0 CEAERO Cc1ccccc1[C@H](C)n1nnnc1C[NH2+]C(C)(C)C ZINC000054747913 525420144 /nfs/dbraw/zinc/42/01/44/525420144.db2.gz UDWYNPJHTQDQQU-LBPRGKRZSA-N 1 0 273.384 2.479 10 0 CEAERO Cc1ccccc1[C@H](O)C[N@H+]1CCC[C@@H]1CN(C)C ZINC000061652597 525431999 /nfs/dbraw/zinc/43/19/99/525431999.db2.gz AAKQDMHAZLBDMU-GDBMZVCRSA-N 1 0 262.397 2.054 10 0 CEAERO Cc1ccc(OC[C@]([NH2+]C(C)C)(C(N)=O)C2CC2)cc1C ZINC000069197332 525443812 /nfs/dbraw/zinc/44/38/12/525443812.db2.gz FMVRWOYTMUMDLP-QGZVFWFLSA-N 1 0 290.407 2.314 10 0 CEAERO Cc1nc[nH]c1CNC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000054797028 525462967 /nfs/dbraw/zinc/46/29/67/525462967.db2.gz BUMLDXLKAJCJNE-DOMZBBRYSA-N 1 0 264.417 2.318 10 0 CEAERO CSCCC[NH2+]CC(=O)Nc1cccc(C)c1 ZINC000069447071 525476692 /nfs/dbraw/zinc/47/66/92/525476692.db2.gz NRPNQZSWZMXUCU-UHFFFAOYSA-N 1 0 252.383 2.276 10 0 CEAERO CSCCC[NH2+][C@H](C)C(=O)NC1CCCCC1 ZINC000069446498 525482441 /nfs/dbraw/zinc/48/24/41/525482441.db2.gz 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ZINC000054747992 525952085 /nfs/dbraw/zinc/95/20/85/525952085.db2.gz MEPZWDWNKMOAOQ-LBPRGKRZSA-N 1 0 273.384 2.479 10 0 CEAERO Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H]2CN(C)C)cc1C ZINC000061652583 525973327 /nfs/dbraw/zinc/97/33/27/525973327.db2.gz UBOKSWNIPMGABP-IAGOWNOFSA-N 1 0 276.424 2.363 10 0 CEAERO Cc1ccc([C@H]2[C@@H](C[NH2+]C(C)C)OCCN2C)s1 ZINC000070287427 526047344 /nfs/dbraw/zinc/04/73/44/526047344.db2.gz LXGQOKFGQHIVKD-TZMCWYRMSA-N 1 0 268.426 2.426 10 0 CEAERO COc1cccc(COCC[C@H]2CCCC[NH2+]2)n1 ZINC000070094107 526053051 /nfs/dbraw/zinc/05/30/51/526053051.db2.gz SOIXRLUOHAJUJY-GFCCVEGCSA-N 1 0 250.342 2.139 10 0 CEAERO COc1cccc(C[C@]2(C[NH2+]C3CC3)CCOC2)c1 ZINC000054665185 526081079 /nfs/dbraw/zinc/08/10/79/526081079.db2.gz UXEFDAZVDSEVKE-INIZCTEOSA-N 1 0 261.365 2.396 10 0 CEAERO COc1cccc(Cc2ncc([C@@H](C)[NH3+])c(C)n2)c1 ZINC000054962534 526084696 /nfs/dbraw/zinc/08/46/96/526084696.db2.gz MTCGJOHNSFRZLN-SNVBAGLBSA-N 1 0 257.337 2.404 10 0 CEAERO Cc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c(O)c1 ZINC000063189331 526091890 /nfs/dbraw/zinc/09/18/90/526091890.db2.gz OLDLLGDCXWNMOH-HUUCEWRRSA-N 1 0 288.391 2.447 10 0 CEAERO C[C@@H](c1ccncc1)N(C)C(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000061612214 526151454 /nfs/dbraw/zinc/15/14/54/526151454.db2.gz YBHYOIOHQMTMTD-BBRMVZONSA-N 1 0 283.375 2.344 10 0 CEAERO C[C@H]1CCCC[C@@H]1CNC(=O)C1(C)CC[NH2+]CC1 ZINC000062841330 526254214 /nfs/dbraw/zinc/25/42/14/526254214.db2.gz DIIWFNUDKZXUOO-QWHCGFSZSA-N 1 0 252.402 2.319 10 0 CEAERO C[C@H]1CCCC[C@@H]1NC(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000051096536 526257989 /nfs/dbraw/zinc/25/79/89/526257989.db2.gz BZUYAZYQCXOIIE-KWQFWETISA-N 1 0 282.775 2.329 10 0 CEAERO Fc1cc(F)cc(Cc2noc([C@@H]3CCC[NH2+]3)n2)c1 ZINC000049347990 526307517 /nfs/dbraw/zinc/30/75/17/526307517.db2.gz IRVCWSRZQCZPEI-NSHDSACASA-N 1 0 265.263 2.363 10 0 CEAERO Fc1ccc2nc([C@@H]3C[NH2+]CCO3)n(C3CC3)c2c1 ZINC000052125241 526379311 /nfs/dbraw/zinc/37/93/11/526379311.db2.gz 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BDKDRINBLPIAHW-LLVKDONJSA-N 1 0 262.382 2.354 10 0 CEAERO c1cn(-c2ccccc2)nc1COC[C@H]1CCC[NH2+]1 ZINC000061641225 526527716 /nfs/dbraw/zinc/52/77/16/526527716.db2.gz PCUXOPQJGYWXDL-CYBMUJFWSA-N 1 0 257.337 2.141 10 0 CEAERO O=C(CC[C@@H]1CCCC[NH2+]1)Nc1cccc(CO)c1 ZINC000050944486 526548364 /nfs/dbraw/zinc/54/83/64/526548364.db2.gz QDOOJUMUSSZAPS-ZDUSSCGKSA-N 1 0 262.353 2.040 10 0 CEAERO O=C(CC[C@H]1CCCC[NH2+]1)N(CCO)C1CCCCC1 ZINC000050946706 526564400 /nfs/dbraw/zinc/56/44/00/526564400.db2.gz ZFCPMFMEJVPJIN-CQSZACIVSA-N 1 0 282.428 2.062 10 0 CEAERO c1nc2c(c(N3CCCC[C@H]3C[NH2+]C3CC3)n1)CCC2 ZINC000061278291 526605920 /nfs/dbraw/zinc/60/59/20/526605920.db2.gz YRZLNQFKBYBNDL-ZDUSSCGKSA-N 1 0 272.396 2.076 10 0 CEAERO c1nnc(CC[C@@H]2CCC[NH2+]C2)n1-c1ccccc1 ZINC000054526858 526622358 /nfs/dbraw/zinc/62/23/58/526622358.db2.gz PGGGUWVRQTZFHL-ZDUSSCGKSA-N 1 0 256.353 2.200 10 0 CEAERO Cc1nc(-c2ncccn2)nc(C)c1CC[NH2+]CC(C)C ZINC000054853957 526624687 /nfs/dbraw/zinc/62/46/87/526624687.db2.gz NFGQOPKBRUBKQN-UHFFFAOYSA-N 1 0 285.395 2.339 10 0 CEAERO Cc1nc(C)n(Cc2cc(C[NH2+]C(C)C)oc2C)n1 ZINC000052574501 526764079 /nfs/dbraw/zinc/76/40/79/526764079.db2.gz NVXCLQJHQBUNOU-UHFFFAOYSA-N 1 0 262.357 2.343 10 0 CEAERO Cc1nc(C)n(Cc2cc(C[NH2+]C(C)C)c(C)o2)n1 ZINC000052574362 526764626 /nfs/dbraw/zinc/76/46/26/526764626.db2.gz ABRMEGHFYRQRQK-UHFFFAOYSA-N 1 0 262.357 2.343 10 0 CEAERO Cc1oc(C[NH3+])cc1CN1C[C@H](C)OC(C)(C)C1 ZINC000052543527 526771449 /nfs/dbraw/zinc/77/14/49/526771449.db2.gz LSGDGPHNNRJBLV-JTQLQIEISA-N 1 0 252.358 2.046 10 0 CEAERO NC(=[NH2+])c1c(Cl)cccc1OCC1CCOCC1 ZINC000052907739 526819986 /nfs/dbraw/zinc/81/99/86/526819986.db2.gz QJDGRQPZWXYKHZ-UHFFFAOYSA-N 1 0 268.744 2.429 10 0 CEAERO NC(=[NH2+])c1cc(Sc2cnccn2)nc2ccccc21 ZINC000068798488 526821717 /nfs/dbraw/zinc/82/17/17/526821717.db2.gz XXZDQXIEKJNSOS-UHFFFAOYSA-N 1 0 281.344 2.460 10 0 CEAERO NC(=[NH2+])c1ccc(N2CCCC[C@@H]2CCO)c(Cl)c1 ZINC000062793952 526823392 /nfs/dbraw/zinc/82/33/92/526823392.db2.gz SBIWKUSDLRSGOX-LLVKDONJSA-N 1 0 281.787 2.365 10 0 CEAERO Cc1nc(CN(C)C(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)cs1 ZINC000156151592 526832493 /nfs/dbraw/zinc/83/24/93/526832493.db2.gz JQWHKJLUOJFPPS-YPMHNXCESA-N 1 0 295.452 2.436 10 0 CEAERO O=C(N[C@@H]1CCCC[NH2+]C1)c1ccc2[nH]ccc2c1 ZINC000070119853 526885000 /nfs/dbraw/zinc/88/50/00/526885000.db2.gz JWVVXGWYPMRMRF-CYBMUJFWSA-N 1 0 257.337 2.040 10 0 CEAERO Cc1nc(N2CC[NH+](CC(C)C)CC2)sc1[C@@H](C)O ZINC000055076444 526969437 /nfs/dbraw/zinc/96/94/37/526969437.db2.gz GTNXOMUWNIEPQN-GFCCVEGCSA-N 1 0 283.441 2.283 10 0 CEAERO Clc1ccccc1CNCC[NH2+]C[C@@H]1CCCO1 ZINC000066188609 526988888 /nfs/dbraw/zinc/98/88/88/526988888.db2.gz OWJTWUOORWBYKO-ZDUSSCGKSA-N 1 0 268.788 2.198 10 0 CEAERO Clc1nsnc1N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000049571779 527012997 /nfs/dbraw/zinc/01/29/97/527012997.db2.gz SGALQLHKVBBFTE-SFYZADRCSA-N 1 0 258.778 2.230 10 0 CEAERO NC(=S)c1cc(C[NH+]2CCCCCCC2)ccn1 ZINC000068751846 527114344 /nfs/dbraw/zinc/11/43/44/527114344.db2.gz CFVUGQKXVSFWCE-UHFFFAOYSA-N 1 0 263.410 2.482 10 0 CEAERO NC(=S)c1ccc(Cl)cc1N[C@H]1C[NH+]2CCC1CC2 ZINC000062787959 527119285 /nfs/dbraw/zinc/11/92/85/527119285.db2.gz LTRRRXQYHXZDHV-ZDUSSCGKSA-N 1 0 295.839 2.480 10 0 CEAERO [NH3+]CCCN(C(=O)c1cccc2cccnc21)C1CC1 ZINC000061410320 527178988 /nfs/dbraw/zinc/17/89/88/527178988.db2.gz HWRLMEODGIBRHV-UHFFFAOYSA-N 1 0 269.348 2.188 10 0 CEAERO [NH3+]CCCc1nc2ccc(Br)cc2o1 ZINC000062537233 527183628 /nfs/dbraw/zinc/18/36/28/527183628.db2.gz CJFZKLGUAHELJK-UHFFFAOYSA-N 1 0 255.115 2.482 10 0 CEAERO NC(=O)c1ccc(NCc2ccc(CC[NH3+])cc2)c(F)c1 ZINC000052899427 527196805 /nfs/dbraw/zinc/19/68/05/527196805.db2.gz NUBLTUJEDWIYJF-UHFFFAOYSA-N 1 0 287.338 2.038 10 0 CEAERO [NH3+]C[C@@H](c1cc(F)c(F)c(F)c1)N1CCSCC1 ZINC000062709653 527205853 /nfs/dbraw/zinc/20/58/53/527205853.db2.gz CKHZYRYIMHLRCX-NSHDSACASA-N 1 0 276.327 2.153 10 0 CEAERO [NH3+]C[C@@H](c1nc(-c2cccnc2)no1)c1ccccc1 ZINC000061609349 527207924 /nfs/dbraw/zinc/20/79/24/527207924.db2.gz KFIQCAGLFOFUEH-CYBMUJFWSA-N 1 0 266.304 2.222 10 0 CEAERO [NH3+]C[C@H](C(=O)N1CCOc2ccccc21)c1ccccc1 ZINC000061612682 527222443 /nfs/dbraw/zinc/22/24/43/527222443.db2.gz KJCIQJCVAXAMOO-AWEZNQCLSA-N 1 0 282.343 2.155 10 0 CEAERO [NH3+]C[C@H](C(=O)Nc1cccc(O)c1)c1ccccc1 ZINC000061612554 527224808 /nfs/dbraw/zinc/22/48/08/527224808.db2.gz WUMAWAWPNOMABM-AWEZNQCLSA-N 1 0 256.305 2.073 10 0 CEAERO Cn1cc(C[C@@H]([NH3+])C2(c3ccccc3)CCC2)cn1 ZINC000062781564 527229375 /nfs/dbraw/zinc/22/93/75/527229375.db2.gz LVFZXHORXIBRQF-OAHLLOKOSA-N 1 0 255.365 2.412 10 0 CEAERO Cn1cc(C[C@H]([NH3+])c2ccccc2Br)cn1 ZINC000050543197 527232066 /nfs/dbraw/zinc/23/20/66/527232066.db2.gz SEKRBPDPIBJVAY-LBPRGKRZSA-N 1 0 280.169 2.425 10 0 CEAERO Cn1cc(C[C@H]([NH3+])C2(c3ccccc3)CCC2)cn1 ZINC000062781563 527232113 /nfs/dbraw/zinc/23/21/13/527232113.db2.gz LVFZXHORXIBRQF-HNNXBMFYSA-N 1 0 255.365 2.412 10 0 CEAERO Cn1cc(C[C@]2(C[NH3+])CCCc3ccccc32)cn1 ZINC000054637458 527234893 /nfs/dbraw/zinc/23/48/93/527234893.db2.gz BPRYIVNOGJVXOG-INIZCTEOSA-N 1 0 255.365 2.196 10 0 CEAERO O=C(Cc1ccc(O)cc1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063189030 527238706 /nfs/dbraw/zinc/23/87/06/527238706.db2.gz GKRLJQICIWWNIV-HOTGVXAUSA-N 1 0 288.391 2.068 10 0 CEAERO [NH3+]C[C@]1(Cc2ccc(Br)s2)CCOC1 ZINC000054637587 527242314 /nfs/dbraw/zinc/24/23/14/527242314.db2.gz LRTRUOQZKAGAJU-SNVBAGLBSA-N 1 0 276.199 2.419 10 0 CEAERO [NH3+]Cc1ccc(N2CCC3(CCCCC3)CC2)nn1 ZINC000061822808 527254362 /nfs/dbraw/zinc/25/43/62/527254362.db2.gz WPEOFNMMAYCFRW-UHFFFAOYSA-N 1 0 260.385 2.486 10 0 CEAERO [NH3+]Cc1ccnc(Cc2ccc(Br)cc2)n1 ZINC000054791098 527262468 /nfs/dbraw/zinc/26/24/68/527262468.db2.gz DBJMZTGBJARJII-UHFFFAOYSA-N 1 0 278.153 2.289 10 0 CEAERO [NH3+]Cc1cn(-c2ccc(-c3ccccc3)cc2)nn1 ZINC000051040621 527262769 /nfs/dbraw/zinc/26/27/69/527262769.db2.gz ARDVGQUOPILPEI-UHFFFAOYSA-N 1 0 250.305 2.393 10 0 CEAERO [NH3+]Cc1cnn(Cc2ccc(Br)cc2)c1 ZINC000054716763 527264697 /nfs/dbraw/zinc/26/46/97/527264697.db2.gz NUPLGWABJRTMIW-UHFFFAOYSA-N 1 0 266.142 2.153 10 0 CEAERO [NH3+]Cc1nnnn1-c1c(Cl)cc(Cl)cc1Cl ZINC000054744554 527267111 /nfs/dbraw/zinc/26/71/11/527267111.db2.gz CISYZFXFRINRRL-UHFFFAOYSA-N 1 0 278.530 2.081 10 0 CEAERO NNc1ccc(C(=O)N2CCC[C@H]3CCCC[C@H]32)c[nH+]1 ZINC000051090882 527275528 /nfs/dbraw/zinc/27/55/28/527275528.db2.gz GRQDAYKRGVWKBN-DGCLKSJQSA-N 1 0 274.368 2.162 10 0 CEAERO O=C(Cc1ccsc1)N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051358154 527316057 /nfs/dbraw/zinc/31/60/57/527316057.db2.gz MLFDOKBAEILSOI-QWHCGFSZSA-N 1 0 264.394 2.034 10 0 CEAERO [NH3+][C@@H](c1cc2c(cc1Cl)NC(=O)C2)C1CCOCC1 ZINC000061671561 527337508 /nfs/dbraw/zinc/33/75/08/527337508.db2.gz IIZMSBSOBUIADC-CQSZACIVSA-N 1 0 280.755 2.261 10 0 CEAERO Cc1nccc(CNc2ccc(C[NH+](C)C)cc2)n1 ZINC000054790621 527339864 /nfs/dbraw/zinc/33/98/64/527339864.db2.gz KVKDNFQGRDNHLX-UHFFFAOYSA-N 1 0 256.353 2.459 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000063173961 527404213 /nfs/dbraw/zinc/40/42/13/527404213.db2.gz LLARCWDPJZKIDN-FUDOWXGNSA-N 1 0 262.397 2.199 10 0 CEAERO Nc1c2cc3c(cc2[nH+]c2c1CCCC2)OCCO3 ZINC000050868343 527437491 /nfs/dbraw/zinc/43/74/91/527437491.db2.gz LPBMOQFZKJKFOC-UHFFFAOYSA-N 1 0 256.305 2.467 10 0 CEAERO Nc1cc(Cl)ccc1CN1CC[NH+](C2CC2)CC1 ZINC000050443082 527451743 /nfs/dbraw/zinc/45/17/43/527451743.db2.gz VYHVHYIQODKGLA-UHFFFAOYSA-N 1 0 265.788 2.202 10 0 CEAERO Cc1ncn(-c2c(C[NH2+]CC(C)C)c(C)nn2C)c1C ZINC000062738893 527459862 /nfs/dbraw/zinc/45/98/62/527459862.db2.gz FFIYTGQHCZIATE-UHFFFAOYSA-N 1 0 275.400 2.277 10 0 CEAERO Cc1ncn(Cc2cc(C[NH2+]C(C)(C)C)no2)c1C ZINC000052593531 527462819 /nfs/dbraw/zinc/46/28/19/527462819.db2.gz VREXLFIBARQGBA-UHFFFAOYSA-N 1 0 262.357 2.424 10 0 CEAERO Cn1ccnc1[C@H]([NH3+])Cc1cccc(Br)c1 ZINC000069029120 527463470 /nfs/dbraw/zinc/46/34/70/527463470.db2.gz ATUJRWIVJGTPOS-LLVKDONJSA-N 1 0 280.169 2.425 10 0 CEAERO OCCn1cc(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)cn1 ZINC000068691185 527576349 /nfs/dbraw/zinc/57/63/49/527576349.db2.gz BZYJDYIPXDRHTM-NEPJUHHUSA-N 1 0 291.317 2.086 10 0 CEAERO OC[C@@]1(C[NH+]2CCC(Cc3ccccc3)CC2)CCOC1 ZINC000051292657 527600149 /nfs/dbraw/zinc/60/01/49/527600149.db2.gz UAJSJOITHDPLOU-SFHVURJKSA-N 1 0 289.419 2.340 10 0 CEAERO Cc1nn(C)c(C)c1-c1csc(C2([NH3+])CCC2)n1 ZINC000061713599 527601327 /nfs/dbraw/zinc/60/13/27/527601327.db2.gz LKYNUGKWWRHEDA-UHFFFAOYSA-N 1 0 262.382 2.498 10 0 CEAERO Cc1nn(C)c(N(C)C2CCOCC2)c1C[NH2+]C(C)(C)C ZINC000062736277 527670451 /nfs/dbraw/zinc/67/04/51/527670451.db2.gz RIXGKVSXWVHFOW-UHFFFAOYSA-N 1 0 294.443 2.232 10 0 CEAERO Cc1nn(C)c(N(C)C(C)C)c1C[NH2+]C(C)(C)C ZINC000062734547 527670533 /nfs/dbraw/zinc/67/05/33/527670533.db2.gz SVGDKUFKSBVZDI-UHFFFAOYSA-N 1 0 252.406 2.461 10 0 CEAERO FC(F)(F)CO[C@H]1CCC[C@H]([NH2+]Cc2cnc[nH]2)C1 ZINC000054764942 527671897 /nfs/dbraw/zinc/67/18/97/527671897.db2.gz AFBXCLDYERVFBH-ONGXEEELSA-N 1 0 277.290 2.389 10 0 CEAERO Cc1nn(C)c(N2CCOCC2(C)C)c1C[NH2+]CC(C)C ZINC000062737005 527676575 /nfs/dbraw/zinc/67/65/75/527676575.db2.gz CJHAVBBWLGAPMT-UHFFFAOYSA-N 1 0 294.443 2.089 10 0 CEAERO CCCC1(C[NH2+]Cc2c(C)nn(C)c2OC)CC1 ZINC000151567989 528060398 /nfs/dbraw/zinc/06/03/98/528060398.db2.gz YGRJAIDCRFTEEZ-UHFFFAOYSA-N 1 0 251.374 2.407 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc(C(C)C)nn1C ZINC000174133910 528500264 /nfs/dbraw/zinc/50/02/64/528500264.db2.gz UMXBGRVZCYBPGF-CYBMUJFWSA-N 1 0 294.443 2.250 10 0 CEAERO CCC(O)(CC)C[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000165203373 528965773 /nfs/dbraw/zinc/96/57/73/528965773.db2.gz GCIWGHWGIXPGRM-UHFFFAOYSA-N 1 0 292.423 2.368 10 0 CEAERO CC[C@@H](O)CN1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000174077594 529229665 /nfs/dbraw/zinc/22/96/65/529229665.db2.gz IRFPEBXCPMXEFP-AEFFLSMTSA-N 1 0 288.435 2.453 10 0 CEAERO CCC[NH2+][C@@H](C)[C@@H]1CCCN(c2nccc(C)n2)C1 ZINC000111716231 535185603 /nfs/dbraw/zinc/18/56/03/535185603.db2.gz XVUNNUMJKDTZTC-UONOGXRCSA-N 1 0 262.401 2.390 10 0 CEAERO CCC[NH2+][C@@H]1CCCN(c2cc(F)cc(F)c2)C1=O ZINC000071033462 535186540 /nfs/dbraw/zinc/18/65/40/535186540.db2.gz HIMSVDUXXIUROX-CYBMUJFWSA-N 1 0 268.307 2.460 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@H](C)[C@H](OC)c1ccccc1F ZINC000262095355 535677937 /nfs/dbraw/zinc/67/79/37/535677937.db2.gz BLJOYGRTXCPUBD-SWHYSGLUSA-N 1 0 282.359 2.145 10 0 CEAERO CC[C@@H]1CN(c2ncncc2Br)[C@@H](CC)C[NH2+]1 ZINC000090781775 535870936 /nfs/dbraw/zinc/87/09/36/535870936.db2.gz SVOUFLJRHMIKRR-ZJUUUORDSA-N 1 0 299.216 2.206 10 0 CEAERO C[NH2+][C@@H]1CCN(CC(=O)NC2CCCC2)c2ccccc21 ZINC000071377785 536374939 /nfs/dbraw/zinc/37/49/39/536374939.db2.gz JIPNNGPISKTOFZ-OAHLLOKOSA-N 1 0 287.407 2.216 10 0 CEAERO COCCN1CC[C@@H]([NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000238855692 574423004 /nfs/dbraw/zinc/42/30/04/574423004.db2.gz SRFNNMNKCZZXJY-CHWSQXEVSA-N 1 0 272.751 2.200 10 0 CEAERO CCc1noc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)n1 ZINC000253086271 574504472 /nfs/dbraw/zinc/50/44/72/574504472.db2.gz AZFAUWMYTSWSJU-YNEHKIRRSA-N 1 0 279.384 2.148 10 0 CEAERO COc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)OC(C)(C)C ZINC000757185526 574511726 /nfs/dbraw/zinc/51/17/26/574511726.db2.gz WYPIQFDRXNRLTF-OLZOCXBDSA-N 1 0 277.364 2.340 10 0 CEAERO CC1(C)CC2(CC(C)(C)[NH2+]1)N[C@H](C1CC1)CCO2 ZINC000757140879 574510214 /nfs/dbraw/zinc/51/02/14/574510214.db2.gz JONSFGKNZLOPLD-LBPRGKRZSA-N 1 0 252.402 2.412 10 0 CEAERO CCOC(=O)[C@@H]1CCC[NH2+][C@H]1c1ccc(C=O)s1 ZINC000757218636 574513494 /nfs/dbraw/zinc/51/34/94/574513494.db2.gz VNUROQDXBWMBNY-ZYHUDNBSSA-N 1 0 267.350 2.164 10 0 CEAERO C[N@@H+]1C[C@H](NCc2cccnc2Br)C(C)(C)C1 ZINC000675074982 567024589 /nfs/dbraw/zinc/02/45/89/567024589.db2.gz KNXVLFLWAKKURN-NSHDSACASA-N 1 0 298.228 2.274 10 0 CEAERO CCCC[C@@H](N)c1nc(N2CC[NH+](CC(C)C)CC2)no1 ZINC000757123895 574825800 /nfs/dbraw/zinc/82/58/00/574825800.db2.gz LAADPBUOAAVZSX-CYBMUJFWSA-N 1 0 295.431 2.038 10 0 CEAERO COCCOC[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000020262777 567847843 /nfs/dbraw/zinc/84/78/43/567847843.db2.gz CERRQKBEYJWXKP-LLVKDONJSA-N 1 0 263.259 2.368 10 0 CEAERO C[C@@H]([NH3+])[C@H]1COc2c(F)cc(Br)cc2C1 ZINC000675063528 570366068 /nfs/dbraw/zinc/36/60/68/570366068.db2.gz HHVLKIFEHKKLOO-HTRCEHHLSA-N 1 0 274.133 2.487 10 0 CEAERO CCCN(CCC)S(=O)(=O)C[C@@H]([NH3+])C(CC)CC ZINC000757152366 622929456 /nfs/dbraw/zinc/92/94/56/622929456.db2.gz KOJKXRZQTOSYHE-CYBMUJFWSA-N 1 0 278.462 2.202 10 0 CEAERO CN(C)c1ccc([C@@H]2C[NH2+]C[C@@H]2C(=O)OC(C)(C)C)cc1 ZINC000757184746 622957690 /nfs/dbraw/zinc/95/76/90/622957690.db2.gz MYJXKBXDBAHUQH-GJZGRUSLSA-N 1 0 290.407 2.397 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CN1C[C@H](CC(C)C)CC1=O ZINC000177162411 625621497 /nfs/dbraw/zinc/62/14/97/625621497.db2.gz PWOWKTSGYMHDFC-HZPDHXFCSA-N 1 0 295.471 2.255 10 0 CEAERO Cc1nc2ccccn2c1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000051998789 625626910 /nfs/dbraw/zinc/62/69/10/625626910.db2.gz IUMRITUBBADKDY-TZMCWYRMSA-N 1 0 259.353 2.036 10 0 CEAERO COc1cc(C)nc(NC[C@H]2[NH2+]CCc3ccccc32)n1 ZINC000261668509 623427553 /nfs/dbraw/zinc/42/75/53/623427553.db2.gz LEAYOTQQLMOYSY-CQSZACIVSA-N 1 0 284.363 2.093 10 0 CEAERO C[C@H]1C[C@H]([NH2+]C[C@@H]2CN(C)CCO2)CC(C)(C)C1 ZINC000090714885 623489088 /nfs/dbraw/zinc/48/90/88/623489088.db2.gz TWUSNURNJQTYMR-MELADBBJSA-N 1 0 254.418 2.121 10 0 CEAERO CCC/C=C\C[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CCCO)C1 ZINC000096835374 623648040 /nfs/dbraw/zinc/64/80/40/623648040.db2.gz ISDNMQWUXKGFPF-XETQRACLSA-N 1 0 294.439 2.038 10 0 CEAERO CO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2CO)C12CCC2 ZINC000308358101 623668360 /nfs/dbraw/zinc/66/83/60/623668360.db2.gz DWPIGSAICIFIIG-YIYPIFLZSA-N 1 0 253.386 2.085 10 0 CEAERO CC[NH+](CC)CCCNS(=O)(=O)/C=C/c1ccccc1 ZINC000078276007 623693578 /nfs/dbraw/zinc/69/35/78/623693578.db2.gz KFEAYYUXWJKOON-SDNWHVSQSA-N 1 0 296.436 2.309 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(Cl)c(F)c1 ZINC000235615413 625670965 /nfs/dbraw/zinc/67/09/65/625670965.db2.gz BJSRCINLVRPUDB-PELKAZGASA-N 1 0 270.735 2.349 10 0 CEAERO C[NH2+]CCc1noc(COc2ccc(Cl)cc2)n1 ZINC000051850656 624622540 /nfs/dbraw/zinc/62/25/40/624622540.db2.gz VEOXMJFHUFPCGF-UHFFFAOYSA-N 1 0 267.716 2.064 10 0 CEAERO OCc1cc(C2C[NH+](C[C@@H]3C[C@H]3c3ccccc3)C2)no1 ZINC000888079020 624708130 /nfs/dbraw/zinc/70/81/30/624708130.db2.gz XHBNOGDGQAFSJY-BBRMVZONSA-N 1 0 284.359 2.370 10 0 CEAERO C[C@@H]1CN(C(=O)c2ccc(F)c(C(F)(F)F)c2)C[C@@H]1[NH3+] ZINC000235348924 624712393 /nfs/dbraw/zinc/71/23/93/624712393.db2.gz NYCFLSSVTVIYBY-HQJQHLMTSA-N 1 0 290.260 2.264 10 0 CEAERO CCCOc1cccc(C(=O)N2CC[C@H]([NH3+])[C@H]2C)c1 ZINC000261573880 624827413 /nfs/dbraw/zinc/82/74/13/624827413.db2.gz AVAZGNVCNCADCY-RISCZKNCSA-N 1 0 262.353 2.037 10 0 CEAERO COc1csc(-c2nc(C[C@@H]3CCC[NH2+]C3)no2)c1 ZINC000161965999 625018568 /nfs/dbraw/zinc/01/85/68/625018568.db2.gz SMPZSUSJNCUSSK-VIFPVBQESA-N 1 0 279.365 2.349 10 0 CEAERO C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)nc1)N1CCOCC1 ZINC000179100204 625125840 /nfs/dbraw/zinc/12/58/40/625125840.db2.gz SPUOAXYHRUUWCO-RYUDHWBXSA-N 1 0 283.803 2.106 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@@H]1c1nc(COCC(F)(F)F)no1 ZINC000236214983 625909575 /nfs/dbraw/zinc/90/95/75/625909575.db2.gz PEWLXTBSVNONOY-BDAKNGLRSA-N 1 0 293.289 2.381 10 0 CEAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC(=O)NCC(F)F ZINC000393700598 627279680 /nfs/dbraw/zinc/27/96/80/627279680.db2.gz XVBRBPSGOFYWFE-GRYCIOLGSA-N 1 0 276.371 2.418 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@]2(C1)[NH2+]CCc1ccoc12 ZINC000703041217 627313122 /nfs/dbraw/zinc/31/31/22/627313122.db2.gz HQXNEZLRIAWFFO-OAHLLOKOSA-N 1 0 278.352 2.261 10 0 CEAERO CC(C)[C@H](c1nc(Cc2ccncc2)no1)[C@H](C)[NH3+] ZINC000104063090 627370492 /nfs/dbraw/zinc/37/04/92/627370492.db2.gz XCVYZXVTOIROBW-GWCFXTLKSA-N 1 0 260.341 2.142 10 0 CEAERO C[NH2+]C1(C(=O)N[C@H]2CCCc3ccccc32)CCC1 ZINC000311493750 627670830 /nfs/dbraw/zinc/67/08/30/627670830.db2.gz VDHJWDXGPHOWHR-AWEZNQCLSA-N 1 0 258.365 2.322 10 0 CEAERO C[C@@H]1COC[C@H](C)[N@H+]1CC1CCC2(CC1)OCCO2 ZINC000190246344 628329015 /nfs/dbraw/zinc/32/90/15/628329015.db2.gz MDHCNHNHZGOVNI-BETUJISGSA-N 1 0 269.385 2.029 10 0 CEAERO COCC1(c2noc(CC[C@H]3CCC[NH2+]3)n2)CCCC1 ZINC000312930199 628563992 /nfs/dbraw/zinc/56/39/92/628563992.db2.gz MJFQMDVZICHPDJ-GFCCVEGCSA-N 1 0 279.384 2.212 10 0 CEAERO O[C@@H](C[N@@H+]1CCO[C@H]2CCCC[C@H]21)c1ccccc1 ZINC000313542863 628614500 /nfs/dbraw/zinc/61/45/00/628614500.db2.gz AWVXIRYCMVPHQK-PMPSAXMXSA-N 1 0 261.365 2.363 10 0 CEAERO CN(Cc1ccccc1Br)C(=O)C1CC([NH3+])C1 ZINC000258707358 628762800 /nfs/dbraw/zinc/76/28/00/628762800.db2.gz LXXKYQNPJJNWCQ-UHFFFAOYSA-N 1 0 297.196 2.145 10 0 CEAERO C[C@H]([NH2+]C1CCN(CCO)CC1)C1CCCCCC1 ZINC000398947953 628766055 /nfs/dbraw/zinc/76/60/55/628766055.db2.gz ANBKUSADECUOGI-AWEZNQCLSA-N 1 0 268.445 2.392 10 0 CEAERO COc1ccc(CN2CC[C@@H]([NH3+])[C@H]2C)c(Cl)c1OC ZINC000261587212 628941613 /nfs/dbraw/zinc/94/16/13/628941613.db2.gz JIRCHGDCNKMTAU-MWLCHTKSSA-N 1 0 284.787 2.279 10 0 CEAERO CC[C@H]1OCC[C@@H]1c1nc(C2([NH3+])CCCC2)no1 ZINC000234110377 628959288 /nfs/dbraw/zinc/95/92/88/628959288.db2.gz XDRRYLCXFPBFCA-VHSXEESVSA-N 1 0 251.330 2.080 10 0 CEAERO CC(C)/C=C\C[N@@H+]1CC[C@H](CNC(=O)C2CCC2)C1 ZINC000096742759 628997362 /nfs/dbraw/zinc/99/73/62/628997362.db2.gz APIAPADSHORTNI-ZRUQZJFASA-N 1 0 264.413 2.437 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)NC(C)(C)c1nc(C)c(C)s1 ZINC000236933522 629127987 /nfs/dbraw/zinc/12/79/87/629127987.db2.gz GUVQBJRJCNZWIU-SNVBAGLBSA-N 1 0 269.414 2.239 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cc(CC(C)(C)C)nn1C ZINC000237004838 629148495 /nfs/dbraw/zinc/14/84/95/629148495.db2.gz GOYSSXAUBBDYQD-ZWNOBZJWSA-N 1 0 280.416 2.321 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)COc1ccc(C(C)C)c(C)c1 ZINC000261738532 629171270 /nfs/dbraw/zinc/17/12/70/629171270.db2.gz MGKGFCXQUJGTKU-ZDUSSCGKSA-N 1 0 278.396 2.221 10 0 CEAERO Cc1cc([C@H]2CCCN2C(=O)CC[C@H]2CCC[NH2+]2)on1 ZINC000261758718 629184681 /nfs/dbraw/zinc/18/46/81/629184681.db2.gz NMYIIAFKXAKNTQ-CHWSQXEVSA-N 1 0 277.368 2.179 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)Cc1cc(Cl)ccc1Cl ZINC000261831794 629263113 /nfs/dbraw/zinc/26/31/13/629263113.db2.gz VMGRVHUXHUALQG-QMMMGPOBSA-N 1 0 275.179 2.260 10 0 CEAERO COC(=O)[C@@H]1C[N@H+](Cc2csc(C)c2)C[C@@H]1C ZINC000310387107 629317295 /nfs/dbraw/zinc/31/72/95/629317295.db2.gz QQJWGMOHRCYYEV-JOYOIKCWSA-N 1 0 253.367 2.297 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cccnc2Cl)C1 ZINC000049210933 629853671 /nfs/dbraw/zinc/85/36/71/629853671.db2.gz XPJVKTLRVNHDCW-JTQLQIEISA-N 1 0 282.775 2.341 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1Nc1ccc(OC(F)F)cn1 ZINC000262247427 630372559 /nfs/dbraw/zinc/37/25/59/630372559.db2.gz PSSNUVKLAHMAAE-WCBMZHEXSA-N 1 0 257.284 2.222 10 0 CEAERO Cn1cc([C@@H]2CCCN2C(=O)c2ccc3c(c2)C[NH2+]C3)cn1 ZINC000262519798 631084812 /nfs/dbraw/zinc/08/48/12/631084812.db2.gz NXXDMTALWVZZJS-INIZCTEOSA-N 1 0 296.374 2.001 10 0 CEAERO [NH3+][C@H]1CCCN(C(=O)[C@@H]2CCCc3sccc32)C1 ZINC000168409692 631160354 /nfs/dbraw/zinc/16/03/54/631160354.db2.gz JHFDVMVPXDCAJY-CMPLNLGQSA-N 1 0 264.394 2.118 10 0 CEAERO [NH3+][C@H](CS(=O)(=O)N1CCCCCC1)C1CCCCC1 ZINC000757153998 631822949 /nfs/dbraw/zinc/82/29/49/631822949.db2.gz UDOWYYTZKDUUQK-CQSZACIVSA-N 1 0 288.457 2.100 10 0 CEAERO COc1cccc(C2(C(=O)OC(C)(C)C)CC([NH3+])C2)c1 ZINC000757176709 631828772 /nfs/dbraw/zinc/82/87/72/631828772.db2.gz GCAPQIIXRSCEEN-UHFFFAOYSA-N 1 0 277.364 2.396 10 0 CEAERO Cc1sc([C@H]2CC[C@@H](CC[NH3+])C[NH2+]2)cc1C(=O)[O-] ZINC000757232426 631838828 /nfs/dbraw/zinc/83/88/28/631838828.db2.gz IHROVNMPOPOHKA-GXSJLCMTSA-N 1 0 268.382 2.144 10 0 CEAERO CCOc1ccccc1-c1noc([C@H]2CC[NH2+]C2)n1 ZINC000156812008 639398639 /nfs/dbraw/zinc/39/86/39/639398639.db2.gz MJLCOSHEJCTOIL-JTQLQIEISA-N 1 0 259.309 2.212 10 0 CEAERO O[C@@]12CCCC[C@@H]1CN(Cn1cc(Cl)cn1)CC2 ZINC000164941467 639405820 /nfs/dbraw/zinc/40/58/20/639405820.db2.gz GFHLJSPJRHVPQR-DGCLKSJQSA-N 1 0 269.776 2.121 10 0 CEAERO CO[C@H](c1noc(C[C@@H]([NH3+])CC(C)C)n1)C1CC1 ZINC000157209654 639460618 /nfs/dbraw/zinc/46/06/18/639460618.db2.gz AYRPHHCHORBFGY-JQWIXIFHSA-N 1 0 253.346 2.083 10 0 CEAERO Cc1cc(NC(=O)C[C@@H]([NH3+])C(C)C)cnc1Cl ZINC000225811434 639512945 /nfs/dbraw/zinc/51/29/45/639512945.db2.gz HMCIRLSXFQRWCI-SNVBAGLBSA-N 1 0 255.749 2.355 10 0 CEAERO Cc1ccc(OCC(=O)O[C@H](C)C[NH+]2CCCC2)cc1 ZINC000059095305 639559403 /nfs/dbraw/zinc/55/94/03/639559403.db2.gz STDDDUGLQBHVTR-CQSZACIVSA-N 1 0 277.364 2.401 10 0 CEAERO Cc1sc2ncnc(N3CC[C@@H]([NH3+])[C@@H](C)C3)c2c1C ZINC000227075837 639572960 /nfs/dbraw/zinc/57/29/60/639572960.db2.gz GMWMGIBHHRUDQS-GZMMTYOYSA-N 1 0 276.409 2.482 10 0 CEAERO CCC[C@@H](OC)c1noc(C[C@H]2CCC[NH2+]C2)n1 ZINC000227311451 639584661 /nfs/dbraw/zinc/58/46/61/639584661.db2.gz LJCSKFQMNHCHDZ-GHMZBOCLSA-N 1 0 253.346 2.099 10 0 CEAERO CO[C@H](c1noc(-c2cccc(C[NH3+])c2)n1)C1CC1 ZINC000227331841 639584844 /nfs/dbraw/zinc/58/48/44/639584844.db2.gz NGFFIIQQOJNGEV-LBPRGKRZSA-N 1 0 259.309 2.293 10 0 CEAERO CO[C@@H](c1noc(C[C@H]([NH3+])C(C)(C)C)n1)C1CC1 ZINC000227333770 639585249 /nfs/dbraw/zinc/58/52/49/639585249.db2.gz RODXQXLTNSOSHL-GXSJLCMTSA-N 1 0 253.346 2.083 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(Br)nc1 ZINC000227432599 639591785 /nfs/dbraw/zinc/59/17/85/639591785.db2.gz MKGUSGORAPZXBP-WPRPVWTQSA-N 1 0 298.184 2.158 10 0 CEAERO CCc1cc(C(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)cc(Cl)n1 ZINC000228133034 639619440 /nfs/dbraw/zinc/61/94/40/639619440.db2.gz YPLPPMJQGDGPPX-ZWNOBZJWSA-N 1 0 295.814 2.320 10 0 CEAERO Cc1cc2c(ncnc2N2CC[C@@H]([C@H](C)[NH3+])C2)s1 ZINC000228164343 639623107 /nfs/dbraw/zinc/62/31/07/639623107.db2.gz UVWMMLKIAHZUHC-VHSXEESVSA-N 1 0 262.382 2.173 10 0 CEAERO CC(C)Nc1ncnc2c1ncn2C[N@@H+]1CCC[C@@H]1C ZINC000173523759 639862614 /nfs/dbraw/zinc/86/26/14/639862614.db2.gz XIXAPRPVDQZZIQ-NSHDSACASA-N 1 0 274.372 2.088 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)Cc1ccc2ccccc2c1 ZINC000261800574 640134792 /nfs/dbraw/zinc/13/47/92/640134792.db2.gz RHOASKCLRKZTJO-BLLLJJGKSA-N 1 0 268.360 2.330 10 0 CEAERO CC(=O)Nc1cccc(NC(=O)[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000089387049 640362076 /nfs/dbraw/zinc/36/20/76/640362076.db2.gz XZXIASLYJGNCTK-SWLSCSKDSA-N 1 0 289.379 2.349 10 0 CEAERO C[C@@]1(O)CC[N@H+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000179615550 641368622 /nfs/dbraw/zinc/36/86/22/641368622.db2.gz OUODPDPIJWQKBI-DZGCQCFKSA-N 1 0 294.782 2.290 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1csc(-c2ccoc2)n1 ZINC000238014844 641417898 /nfs/dbraw/zinc/41/78/98/641417898.db2.gz DTUVINBABKHZLD-ONGXEEELSA-N 1 0 291.376 2.260 10 0 CEAERO C[C@H](NC(=O)CCC1CC[NH2+]CC1)C1CCCC1 ZINC000070307735 641655347 /nfs/dbraw/zinc/65/53/47/641655347.db2.gz WUVQQIXAEGBHKE-LBPRGKRZSA-N 1 0 252.402 2.461 10 0 CEAERO O[C@H](C[NH+]1CCN(C/C=C\Cl)CC1)c1ccccc1 ZINC000254986886 642812030 /nfs/dbraw/zinc/81/20/30/642812030.db2.gz BDLYUFAPYIPVGB-IJVDHGTGSA-N 1 0 280.799 2.090 10 0 CEAERO COc1ccnc(NCC[NH2+]C2CCCCCC2)n1 ZINC000130130026 652219885 /nfs/dbraw/zinc/21/98/85/652219885.db2.gz RSRYNDZYULEVFI-UHFFFAOYSA-N 1 0 264.373 2.210 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)c1ccc([C@H](C)O)cn1 ZINC000213289371 652244933 /nfs/dbraw/zinc/24/49/33/652244933.db2.gz JDSCEZDOKYJCEA-JSGCOSHPSA-N 1 0 263.385 2.055 10 0 CEAERO CCN(CC)[C@@H](C)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000130501643 652270396 /nfs/dbraw/zinc/27/03/96/652270396.db2.gz ILHUPFBOHRZCCA-KBPBESRZSA-N 1 0 299.459 2.316 10 0 CEAERO CCCCNC(=S)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000134755792 652871961 /nfs/dbraw/zinc/87/19/61/652871961.db2.gz LYLPXKCDABATII-QWHCGFSZSA-N 1 0 269.458 2.220 10 0 CEAERO CCN(CC)C(=O)C[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000135130325 652935558 /nfs/dbraw/zinc/93/55/58/652935558.db2.gz SMTUSYUTZQYGNS-NSHDSACASA-N 1 0 280.416 2.039 10 0 CEAERO CC[NH2+][C@H](C)CC[S@@](=O)c1ccccc1OC ZINC000082000106 177917524 /nfs/dbraw/zinc/91/75/24/177917524.db2.gz IMBKUVHNIDPYRG-DIFFPNOSSA-N 1 0 255.383 2.191 10 0 CEAERO COc1ccc(NC(=O)c2c[nH+]ccc2N)c(C)c1 ZINC000127646772 187323756 /nfs/dbraw/zinc/32/37/56/187323756.db2.gz CCGZRFQFQIKKLK-UHFFFAOYSA-N 1 0 257.293 2.233 10 0 CEAERO COC(=O)C[C@@H]([NH3+])c1sccc1Br ZINC000095715380 185018756 /nfs/dbraw/zinc/01/87/56/185018756.db2.gz LJASWEHPNBKGHP-ZCFIWIBFSA-N 1 0 264.144 2.074 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1cnccn1)C(F)(F)F ZINC000082433245 178010400 /nfs/dbraw/zinc/01/04/00/178010400.db2.gz GGWCNYPHMGEXQO-HTRCEHHLSA-N 1 0 251.277 2.237 10 0 CEAERO Cc1cc(Br)cc2c1NC(=O)[C@@H]2CC[NH3+] ZINC000082452206 178030670 /nfs/dbraw/zinc/03/06/70/178030670.db2.gz RJEJTLSALOPPGE-MRVPVSSYSA-N 1 0 269.142 2.142 10 0 CEAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@H]1Cc1ccco1 ZINC000095752774 185025268 /nfs/dbraw/zinc/02/52/68/185025268.db2.gz RTSRRILZGDBARZ-LLVKDONJSA-N 1 0 266.341 2.031 10 0 CEAERO [NH3+]CCc1cc(Br)cc(Br)n1 ZINC000095767591 185027447 /nfs/dbraw/zinc/02/74/47/185027447.db2.gz XHZSHJFJMZWGBR-UHFFFAOYSA-N 1 0 279.963 2.108 10 0 CEAERO COc1ccc(Br)cc1[C@@H]1C[NH2+]CO1 ZINC000082567753 178098565 /nfs/dbraw/zinc/09/85/65/178098565.db2.gz UGBQEOFAAMJEPH-JTQLQIEISA-N 1 0 258.115 2.076 10 0 CEAERO COc1cccc(OC)c1[C@@H]([NH3+])C1CCOCC1 ZINC000095825140 185028968 /nfs/dbraw/zinc/02/89/68/185028968.db2.gz OQRRHCJVBAJVJD-AWEZNQCLSA-N 1 0 251.326 2.130 10 0 CEAERO Cc1nccn1CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000124619073 187145968 /nfs/dbraw/zinc/14/59/68/187145968.db2.gz KRARFGZRMYXSKH-XHSDSOJGSA-N 1 0 277.412 2.207 10 0 CEAERO CN(C)c1nnc(S[C@H](C[NH3+])C(C)(C)C)s1 ZINC000082580058 178119196 /nfs/dbraw/zinc/11/91/96/178119196.db2.gz XQWYOLBWTUPEQT-SSDOTTSWSA-N 1 0 260.432 2.070 10 0 CEAERO Cc1nn(C)c(Sc2cccs2)c1C(N)=[NH2+] ZINC000082589175 178125030 /nfs/dbraw/zinc/12/50/30/178125030.db2.gz UWDBHTNTFMDHHU-UHFFFAOYSA-N 1 0 252.368 2.225 10 0 CEAERO CCN1C(=O)CC2(CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000095937490 185034159 /nfs/dbraw/zinc/03/41/59/185034159.db2.gz GUWWDBCLSUXTHK-UHFFFAOYSA-N 1 0 286.375 2.048 10 0 CEAERO Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2C1CCC1 ZINC000096041911 185070107 /nfs/dbraw/zinc/07/01/07/185070107.db2.gz HYAULEHHASJOBF-RRFJBIMHSA-N 1 0 292.354 2.384 10 0 CEAERO C[NH+](C)CCN(Cc1ccc(O)cc1)c1ccccn1 ZINC000034223420 361787691 /nfs/dbraw/zinc/78/76/91/361787691.db2.gz FCFBHFOEKQWQBR-UHFFFAOYSA-N 1 0 271.364 2.355 10 0 in-vitro CEAERO COc1ccccc1CN1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC000082728999 178245441 /nfs/dbraw/zinc/24/54/41/178245441.db2.gz KGNODUNWFMYOGS-UKRRQHHQSA-N 1 0 260.381 2.269 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+]Cc2ccccn2)C1 ZINC000034442141 361790807 /nfs/dbraw/zinc/79/08/07/361790807.db2.gz FUAKTACZTBFCQM-ZDUSSCGKSA-N 1 0 291.395 2.428 10 0 CEAERO C[C@H](CCO)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000034460122 361791624 /nfs/dbraw/zinc/79/16/24/361791624.db2.gz YZKLGHNNUDUKIJ-GFCCVEGCSA-N 1 0 268.788 2.233 10 0 CEAERO O=C(Nc1cccc(O)c1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000082802900 178302097 /nfs/dbraw/zinc/30/20/97/178302097.db2.gz CKFLKGBQPRCTIE-OAHLLOKOSA-N 1 0 268.316 2.218 10 0 CEAERO C[C@@H]([NH3+])[C@H](CO)Sc1cccc(Br)c1 ZINC000082988172 178332365 /nfs/dbraw/zinc/33/23/65/178332365.db2.gz SPUBOHSHPXKUMP-XCBNKYQSSA-N 1 0 276.199 2.249 10 0 CEAERO CCC1(C[N@@H+]2CC[C@@H](C)[S@@](=O)CC2)CCOCC1 ZINC000336581554 365673425 /nfs/dbraw/zinc/67/34/25/365673425.db2.gz DWUZNWBJTFNSEJ-ACJLOTCBSA-N 1 0 273.442 2.036 10 0 CEAERO Cc1csc(SCC[C@@H](CO)[NH2+]C(C)C)n1 ZINC000082907219 178329380 /nfs/dbraw/zinc/32/93/80/178329380.db2.gz RYZZEHNYPLLBKU-JTQLQIEISA-N 1 0 260.428 2.293 10 0 CEAERO COc1cccc(C[N@H+](C[C@@H](O)COC(C)C)C2CC2)c1 ZINC000036098401 361827094 /nfs/dbraw/zinc/82/70/94/361827094.db2.gz SDDMHJLJBPXXQT-MRXNPFEDSA-N 1 0 293.407 2.446 10 0 CEAERO CC(C)n1nnnc1CN(C)[C@@H](C)Cc1ccc(O)cc1 ZINC000125782909 365685629 /nfs/dbraw/zinc/68/56/29/365685629.db2.gz ZZHRUMNDGWVHIB-LBPRGKRZSA-N 1 0 289.383 2.023 10 0 CEAERO CCCC[C@H](COC)[NH2+][C@H]1CCCn2nc(COC)nc21 ZINC000125303270 187178739 /nfs/dbraw/zinc/17/87/39/187178739.db2.gz YOGSCQYBIIJEAY-OLZOCXBDSA-N 1 0 296.415 2.054 10 0 CEAERO C[C@@H]([NH2+]CCC1OCCO1)c1ccc(F)c(F)c1 ZINC000125351912 187180537 /nfs/dbraw/zinc/18/05/37/187180537.db2.gz CAGHQXREHANRDB-SECBINFHSA-N 1 0 257.280 2.378 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[NH2+]C2)CC1 ZINC000096897252 185124887 /nfs/dbraw/zinc/12/48/87/185124887.db2.gz CGGXHYGLYWPCQL-CQSZACIVSA-N 1 0 254.374 2.387 10 0 CEAERO COc1ccc([C@H](C)[NH2+]CCC2OCCO2)cc1OC ZINC000125413424 187183471 /nfs/dbraw/zinc/18/34/71/187183471.db2.gz FPBOLFWXMFJRND-NSHDSACASA-N 1 0 281.352 2.117 10 0 CEAERO CC(C)[C@@H](C)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000036954896 361873694 /nfs/dbraw/zinc/87/36/94/361873694.db2.gz PJCRLQJXTWJSMM-MNOVXSKESA-N 1 0 270.398 2.029 10 0 CEAERO COc1c(C)ccc(NC(=O)[C@H]2CCC[NH2+]C2)c1C ZINC000037003494 361880383 /nfs/dbraw/zinc/88/03/83/361880383.db2.gz YIFXXMZBDZMXPD-LBPRGKRZSA-N 1 0 262.353 2.250 10 0 CEAERO Clc1ccc(-n2cncc2[C@@H]2C[NH2+]CCO2)cc1 ZINC000097007487 185151100 /nfs/dbraw/zinc/15/11/00/185151100.db2.gz BKWJNQAPBVRPIK-ZDUSSCGKSA-N 1 0 263.728 2.187 10 0 CEAERO CC[C@@H]1CN(Cc2ccncc2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000173677259 529397666 /nfs/dbraw/zinc/39/76/66/529397666.db2.gz ILDUQLRDDMLERY-TZMCWYRMSA-N 1 0 297.830 2.012 10 0 CEAERO CCN(CC)c1nc(N)[nH+]c(NC2CCC(C)CC2)n1 ZINC000097030805 185155064 /nfs/dbraw/zinc/15/50/64/185155064.db2.gz MBTNGMWVYJYEDU-UHFFFAOYSA-N 1 0 278.404 2.291 10 0 CEAERO Fc1cc(-n2cncc2C2C[NH2+]C2)ccc1Cl ZINC000097022403 185154218 /nfs/dbraw/zinc/15/42/18/185154218.db2.gz FKJGWSHQROPBRI-UHFFFAOYSA-N 1 0 251.692 2.352 10 0 CEAERO CCCC[NH2+]CC1=CC2=CC=C[C@@H]3CCN(C1=O)[C@H]23 ZINC000039287389 361987975 /nfs/dbraw/zinc/98/79/75/361987975.db2.gz SSSGBWKAGIYVJB-DOMZBBRYSA-N 1 0 258.365 2.029 10 0 CEAERO C[NH2+]Cc1cc2cc(OC)ccc2n(CC(C)C)c1=O ZINC000039288567 361987979 /nfs/dbraw/zinc/98/79/79/361987979.db2.gz BOMLRHGKHCXSEM-UHFFFAOYSA-N 1 0 274.364 2.386 10 0 CEAERO CCC[C@@H]1CN(c2ccc(C(=O)OC)cc2)CC[NH2+]1 ZINC000039952526 361990317 /nfs/dbraw/zinc/99/03/17/361990317.db2.gz ZRGCVSXTIYMXNA-CYBMUJFWSA-N 1 0 262.353 2.052 10 0 CEAERO C[C@@H](O)C[NH+]1CCC(CN(C)c2ccnc(Cl)c2)CC1 ZINC000125586583 187192457 /nfs/dbraw/zinc/19/24/57/187192457.db2.gz RDVFJAAEVYBISN-GFCCVEGCSA-N 1 0 297.830 2.264 10 0 CEAERO C[C@@H](C[NH2+][C@H]1CCc2ccc(F)cc21)N1CCOCC1 ZINC000123402497 539176313 /nfs/dbraw/zinc/17/63/13/539176313.db2.gz TZLNRMMHZGTVDZ-LRDDRELGSA-N 1 0 278.371 2.123 10 0 CEAERO CCC[C@H](C(=O)Nc1cnc(C2CC2)nc1)[NH+](C)C ZINC000130221401 539181005 /nfs/dbraw/zinc/18/10/05/539181005.db2.gz XFOTZBAHQBEOBV-GFCCVEGCSA-N 1 0 262.357 2.023 10 0 CEAERO CCC[C@@H]([NH2+]CC)[C@H](CC)n1cc(S(C)(=O)=O)cn1 ZINC000725253220 539199382 /nfs/dbraw/zinc/19/93/82/539199382.db2.gz RIOLHXNJNFKWSB-OLZOCXBDSA-N 1 0 287.429 2.016 10 0 CEAERO CCCCNC(=O)N1CCC[C@H]([C@@]23CC[C@H]2CC[NH2+]3)C1 ZINC000725263489 539212351 /nfs/dbraw/zinc/21/23/51/539212351.db2.gz JUJKVUWWPFETER-OFQRWUPVSA-N 1 0 279.428 2.350 10 0 CEAERO C[C@@H](c1cnn(CC2CCC2)c1)N1CC[NH2+]C[C@@H]1C ZINC000725264208 539212590 /nfs/dbraw/zinc/21/25/90/539212590.db2.gz GOWBTFXDWVFLOU-STQMWFEESA-N 1 0 262.401 2.038 10 0 CEAERO CC(C)[C@H](C)NC(=O)N1CCC2(CCC[C@@H]2[NH3+])CC1 ZINC000725264314 539212804 /nfs/dbraw/zinc/21/28/04/539212804.db2.gz ZADKBEWFXISUFT-STQMWFEESA-N 1 0 267.417 2.334 10 0 CEAERO CC(C)[C@H](C)NC(=O)N1CC[C@@]2([NH3+])CCCC[C@H]12 ZINC000725264188 539212834 /nfs/dbraw/zinc/21/28/34/539212834.db2.gz GFKMYXNSYVOKDI-OBJOEFQTSA-N 1 0 253.390 2.086 10 0 CEAERO CC(C)N1CCC(=O)C12CC(C)(C)[NH2+]C(C)(C)C2 ZINC000725266456 539213594 /nfs/dbraw/zinc/21/35/94/539213594.db2.gz DXKWSEYKRSZFRE-UHFFFAOYSA-N 1 0 252.402 2.349 10 0 CEAERO O[C@H](COCc1ccccc1)C[NH+]1CCC(F)(F)CC1 ZINC000405173708 539221587 /nfs/dbraw/zinc/22/15/87/539221587.db2.gz XSXRXFWQXKWKKB-AWEZNQCLSA-N 1 0 285.334 2.295 10 0 CEAERO C[C@@H]1CCN(C(=O)[C@@H]2CC[NH2+]C2)[C@H]2CCCC[C@@H]12 ZINC000226998290 539244262 /nfs/dbraw/zinc/24/42/62/539244262.db2.gz AAAYRJYPLUCUGA-MQYQWHSLSA-N 1 0 250.386 2.023 10 0 CEAERO O[C@@H](COCc1ccccc1)C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000677730374 539260276 /nfs/dbraw/zinc/26/02/76/539260276.db2.gz IBKLUGXXVJSHSW-UONOGXRCSA-N 1 0 285.334 2.151 10 0 CEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cscc1Cl ZINC000309745981 539273067 /nfs/dbraw/zinc/27/30/67/539273067.db2.gz FPNCHMBQBWYXLZ-OIBJUYFYSA-N 1 0 258.774 2.158 10 0 CEAERO C[C@@H]1C[NH2+]CCN1c1cccc(Br)c1 ZINC000041325069 362028858 /nfs/dbraw/zinc/02/88/58/362028858.db2.gz BVJNWPQMFSPDOO-SECBINFHSA-N 1 0 255.159 2.247 10 0 CEAERO C[C@@H](NC(=O)C(C)(C)[NH3+])c1ccc(Br)cc1 ZINC000040925516 362010280 /nfs/dbraw/zinc/01/02/80/362010280.db2.gz WTIYNUVPFHNWNA-MRVPVSSYSA-N 1 0 285.185 2.364 10 0 CEAERO Cc1ccccc1[C@H](C)[NH2+]C[C@H](O)COC(C)C ZINC000042203573 362069137 /nfs/dbraw/zinc/06/91/37/362069137.db2.gz CZPWPOVPQWXUAS-KBPBESRZSA-N 1 0 251.370 2.432 10 0 CEAERO CCc1ncc(C[NH2+][C@H]2CCCC[C@@H]2CO)s1 ZINC000084045707 539282273 /nfs/dbraw/zinc/28/22/73/539282273.db2.gz CQHOFMYLOXLEJB-PWSUYJOCSA-N 1 0 254.399 2.346 10 0 CEAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CCC(C)(C)C1 ZINC000173675221 282250766 /nfs/dbraw/zinc/25/07/66/282250766.db2.gz DPTFWWUYQSLJNG-OAHLLOKOSA-N 1 0 274.408 2.418 10 0 CEAERO CC(C)[NH2+]C[C@H](O)COc1cccc2c1CCCC2 ZINC000032113136 343411166 /nfs/dbraw/zinc/41/11/66/343411166.db2.gz OYEQBBHUWXIZJC-AWEZNQCLSA-N 1 0 263.381 2.303 10 0 CEAERO COc1cccc([C@@H](N)[C@H]([NH3+])c2cccc(OC)c2)c1 ZINC000034214048 343418865 /nfs/dbraw/zinc/41/88/65/343418865.db2.gz VLIGRZTVNRBXFH-HZPDHXFCSA-N 1 0 272.348 2.404 10 0 CEAERO C[C@H](NC(=O)[C@H]1CCCC[NH2+]1)c1cc(F)ccc1F ZINC000037007633 343424851 /nfs/dbraw/zinc/42/48/51/343424851.db2.gz XVTNCKBLUXLPMI-TVQRCGJNSA-N 1 0 268.307 2.284 10 0 CEAERO C[C@@H](NC(=O)C1([NH3+])CCCC1)c1cc(F)ccc1F ZINC000037616308 343429535 /nfs/dbraw/zinc/42/95/35/343429535.db2.gz JUWCCIJOFKMKDT-SECBINFHSA-N 1 0 268.307 2.414 10 0 CEAERO [NH3+]C1CCC(C(=O)NCc2cccc(Cl)c2)CC1 ZINC000037626203 343430340 /nfs/dbraw/zinc/43/03/40/343430340.db2.gz YQLSVMIADZFPMW-UHFFFAOYSA-N 1 0 266.772 2.474 10 0 CEAERO OC[C@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000039002756 343434843 /nfs/dbraw/zinc/43/48/43/343434843.db2.gz DFZQIKALRBVCGH-HNNXBMFYSA-N 1 0 285.343 2.281 10 0 CEAERO Cc1cccc(NCC[NH2+][C@@H]2CN3CCC2CC3)c1 ZINC000039043626 343435232 /nfs/dbraw/zinc/43/52/32/343435232.db2.gz NBGQPOCSQPKDDI-MRXNPFEDSA-N 1 0 259.397 2.091 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)N2CCOCC2)C1(CC)CC ZINC000245922628 539313191 /nfs/dbraw/zinc/31/31/91/539313191.db2.gz RBZUZNSXCZGNCR-ARFHVFGLSA-N 1 0 298.471 2.281 10 0 CEAERO C[C@H]1CC(F)(F)CCN1C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000638632909 370646065 /nfs/dbraw/zinc/64/60/65/370646065.db2.gz YPVHNUDIAZPSRC-DCAQKATOSA-N 1 0 260.328 2.021 10 0 CEAERO [NH3+][C@H]1CC[C@H](C(=O)N2CCC[C@@H]3CCCC[C@@H]32)C1 ZINC000227883942 539323327 /nfs/dbraw/zinc/32/33/27/539323327.db2.gz YECYEVSEPRCYIL-XUXIUFHCSA-N 1 0 250.386 2.295 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000228233896 539325935 /nfs/dbraw/zinc/32/59/35/539325935.db2.gz GPOHAAVEYYIIOR-XDQVBPFNSA-N 1 0 250.386 2.153 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CSCC(F)(F)F ZINC000128027271 365772597 /nfs/dbraw/zinc/77/25/97/365772597.db2.gz NYIGAJOSOXVPTE-JTQLQIEISA-N 1 0 298.374 2.225 10 0 CEAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(O)ccc3F)CC[C@@H]21 ZINC000295026376 199306419 /nfs/dbraw/zinc/30/64/19/199306419.db2.gz SAKNXDWHEZEYNV-ABAIWWIYSA-N 1 0 292.354 2.088 10 0 CEAERO [NH3+]C[C@@H](O)c1cc(Br)cc(Br)c1 ZINC000059700247 343654129 /nfs/dbraw/zinc/65/41/29/343654129.db2.gz HWMMDAQHEACODM-MRVPVSSYSA-N 1 0 294.974 2.204 10 0 CEAERO Cc1cc(Br)cnc1N1C[C@H](C[NH3+])C[C@@H]1C ZINC000127050614 187278334 /nfs/dbraw/zinc/27/83/34/187278334.db2.gz MFEACQWKCARNLW-UWVGGRQHSA-N 1 0 284.201 2.326 10 0 CEAERO COc1cc2[nH]c3c(c(=O)c2cc1OC)CC[C@@H](C[NH3+])C3 ZINC000090608873 344141066 /nfs/dbraw/zinc/14/10/66/344141066.db2.gz FYJWRTVJNWVXSJ-SECBINFHSA-N 1 0 288.347 2.021 10 0 CEAERO CCOC(=O)c1ccc(N2C[C@@H](C)[NH+](C)[C@H](C)C2)cc1 ZINC000113030096 344275768 /nfs/dbraw/zinc/27/57/68/344275768.db2.gz FFRKYQXPGWEEMW-CHWSQXEVSA-N 1 0 276.380 2.392 10 0 CEAERO C[C@@H]1CCC[N@@H+]1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000113332287 344277033 /nfs/dbraw/zinc/27/70/33/344277033.db2.gz LAUIXSJMNZRLFP-NEPJUHHUSA-N 1 0 254.374 2.480 10 0 CEAERO c1ccc(Nc2ccc([C@H]3C[NH2+]CCO3)cc2)nc1 ZINC000113966438 344278762 /nfs/dbraw/zinc/27/87/62/344278762.db2.gz HZGIAPHFJJNOTP-CQSZACIVSA-N 1 0 255.321 2.486 10 0 CEAERO COc1ccc(-c2noc([C@H]3CCC[NH2+]3)n2)cc1C ZINC000129780885 344347023 /nfs/dbraw/zinc/34/70/23/344347023.db2.gz ZJTPIVQZTATSGZ-LLVKDONJSA-N 1 0 259.309 2.478 10 0 CEAERO [NH3+][C@H]1C[C@H]1c1ncc(Br)cc1Br ZINC000130023806 344348727 /nfs/dbraw/zinc/34/87/27/344348727.db2.gz DWIOQFVGWWIZFS-VDTYLAMSSA-N 1 0 291.974 2.421 10 0 CEAERO [NH3+]Cc1cncn1-c1ccccc1Br ZINC000130015186 344348850 /nfs/dbraw/zinc/34/88/50/344348850.db2.gz DXDUCPGNYOVLGN-UHFFFAOYSA-N 1 0 252.115 2.094 10 0 CEAERO CCN1CCO[C@H](C[NH2+]Cc2cccc(OC(C)C)c2)C1 ZINC000134435112 344374415 /nfs/dbraw/zinc/37/44/15/344374415.db2.gz DZKKOQFCTQWQJG-QGZVFWFLSA-N 1 0 292.423 2.284 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H](C)c2cc(F)ccc2F)C1 ZINC000134567571 344375329 /nfs/dbraw/zinc/37/53/29/344375329.db2.gz UYLKLBHGTUVDSM-WCQYABFASA-N 1 0 284.350 2.336 10 0 CEAERO C[C@]1(C(=O)Nc2nc3c(s2)CCC3)CCCC[NH2+]1 ZINC000136148037 344384285 /nfs/dbraw/zinc/38/42/85/344384285.db2.gz JPTRXSRWADDRGQ-CYBMUJFWSA-N 1 0 265.382 2.103 10 0 CEAERO CCCC[N@@H+]1CCN(Cc2ccccc2)[C@@H]([C@@H](C)O)C1 ZINC000138991477 344391345 /nfs/dbraw/zinc/39/13/45/344391345.db2.gz OHZAEFMZUWVVEV-NVXWUHKLSA-N 1 0 276.424 2.354 10 0 CEAERO [NH3+][C@H](COC(=O)c1ccccc1)Cc1ccccc1 ZINC000144083776 344406644 /nfs/dbraw/zinc/40/66/44/344406644.db2.gz VFOSARHOKIKTNH-HNNXBMFYSA-N 1 0 255.317 2.413 10 0 CEAERO [NH3+][C@@H]1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000144151410 344406814 /nfs/dbraw/zinc/40/68/14/344406814.db2.gz WRCZYLBCTOEROR-UONOGXRCSA-N 1 0 262.353 2.430 10 0 CEAERO [NH3+][C@H]1CC[C@H](c2cnc3cnc4[nH]ccc4n32)CC1 ZINC000147186873 344411816 /nfs/dbraw/zinc/41/18/16/344411816.db2.gz MTPAUQAHSCNBRG-AOOOYVTPSA-N 1 0 255.325 2.196 10 0 CEAERO C[C@H]1CN(C(=O)CC[C@@H]([NH3+])c2ccccc2)CCS1 ZINC000155682726 344439305 /nfs/dbraw/zinc/43/93/05/344439305.db2.gz ODHHBKFNHOZNTC-GXTWGEPZSA-N 1 0 278.421 2.431 10 0 CEAERO CC[C@@H]1CCC[NH2+][C@H]1CN1C(=O)c2ccccc2C1=O ZINC000159082041 344453382 /nfs/dbraw/zinc/45/33/82/344453382.db2.gz NRLRVDTZJBXFLV-RISCZKNCSA-N 1 0 272.348 2.061 10 0 CEAERO CNc1ncc(Br)cc1C[NH2+]C(C)C ZINC000166298432 344475983 /nfs/dbraw/zinc/47/59/83/344475983.db2.gz ZVWZWXIHVJIHGB-UHFFFAOYSA-N 1 0 258.163 2.384 10 0 CEAERO CC(C)([NH3+])C(=O)Cc1ccccc1Br ZINC000168666238 344481157 /nfs/dbraw/zinc/48/11/57/344481157.db2.gz VBVWXLDOISPEDR-UHFFFAOYSA-N 1 0 256.143 2.298 10 0 CEAERO CCC(CC)N(CCOC)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000170833188 344490933 /nfs/dbraw/zinc/49/09/33/344490933.db2.gz GFUAOVYTFMTMOR-AWEZNQCLSA-N 1 0 299.459 2.317 10 0 CEAERO C[C@@H]([NH2+]C[C@@H](O)COC(C)(C)C)c1ccc2c(c1)OCO2 ZINC000192477563 344517130 /nfs/dbraw/zinc/51/71/30/344517130.db2.gz KCMGXPGXHXMPOQ-DGCLKSJQSA-N 1 0 295.379 2.242 10 0 CEAERO CC(C)(C)OC(=O)NCCc1cccc(C[NH3+])c1 ZINC000221268416 344539243 /nfs/dbraw/zinc/53/92/43/344539243.db2.gz YMJFCDHLJHOIJD-UHFFFAOYSA-N 1 0 250.342 2.213 10 0 CEAERO [NH3+][C@@H]1CN(Cc2ccccc2)C[C@H]1[C@@H]1CCCCO1 ZINC000225873910 344547957 /nfs/dbraw/zinc/54/79/57/344547957.db2.gz IZMCMZQESIQXER-OAGGEKHMSA-N 1 0 260.381 2.015 10 0 CEAERO CN(C(=O)c1ccc2[nH]ccc2c1)[C@@H]1CCC[NH2+]CC1 ZINC000226457936 344550313 /nfs/dbraw/zinc/55/03/13/344550313.db2.gz KODVCOVLGHRKGS-CQSZACIVSA-N 1 0 271.364 2.382 10 0 CEAERO CCCCOC[C@H](O)C[NH2+]C[C@]1(C)CCCS1 ZINC000227894668 344557553 /nfs/dbraw/zinc/55/75/53/344557553.db2.gz FQZARMZUAAGWSW-OLZOCXBDSA-N 1 0 261.431 2.039 10 0 CEAERO CCCCOC[C@H](O)C[NH2+]C[C@@]1(C)CCCS1 ZINC000227894660 344557579 /nfs/dbraw/zinc/55/75/79/344557579.db2.gz FQZARMZUAAGWSW-CHWSQXEVSA-N 1 0 261.431 2.039 10 0 CEAERO C[C@@H]1CN(C(=O)c2ccccc2C(C)(C)C)C[C@@H]1[NH3+] ZINC000235368372 344590395 /nfs/dbraw/zinc/59/03/95/344590395.db2.gz ZGIKUZXEWZQULK-RISCZKNCSA-N 1 0 260.381 2.403 10 0 CEAERO Cc1cc(I)ccc1N[C@H](C)C[NH3+] ZINC000235467613 344591568 /nfs/dbraw/zinc/59/15/68/344591568.db2.gz RVIMAZSMMUQBEW-MRVPVSSYSA-N 1 0 290.148 2.359 10 0 CEAERO C[C@H]1CN(C(=O)c2ccccc2C(C)(C)C)C[C@H]1[NH3+] ZINC000235666152 344592057 /nfs/dbraw/zinc/59/20/57/344592057.db2.gz ZGIKUZXEWZQULK-SMDDNHRTSA-N 1 0 260.381 2.403 10 0 CEAERO [NH3+]C1(CNc2nc(Br)cs2)CCC1 ZINC000236195633 344594596 /nfs/dbraw/zinc/59/45/96/344594596.db2.gz HLOAWBFCENELIO-UHFFFAOYSA-N 1 0 262.176 2.199 10 0 CEAERO [NH3+][C@H]1CCO[C@@H]1c1cc(F)ccc1Br ZINC000236328473 344595210 /nfs/dbraw/zinc/59/52/10/344595210.db2.gz NPUQZWJNJGZXAP-VHSXEESVSA-N 1 0 260.106 2.377 10 0 CEAERO CC[C@@H]([NH3+])[C@H](O)c1cc(F)ccc1Br ZINC000233887572 344582484 /nfs/dbraw/zinc/58/24/84/344582484.db2.gz VGZLZTQBPLAPGN-NXEZZACHSA-N 1 0 262.122 2.359 10 0 CEAERO CCOC(=O)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000234009153 344582753 /nfs/dbraw/zinc/58/27/53/344582753.db2.gz AHWBEJBKZMTJDD-DTWKUNHWSA-N 1 0 291.800 2.366 10 0 CEAERO CCOCCN1CC[N@@H+]([C@H]2C=CCCC2)C[C@H]1C ZINC000246292373 344615525 /nfs/dbraw/zinc/61/55/25/344615525.db2.gz VDYHDFDUCVPING-CABCVRRESA-N 1 0 252.402 2.138 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@@H]1C[C@H](OCC)C1(CC)CC ZINC000262110443 344653836 /nfs/dbraw/zinc/65/38/36/344653836.db2.gz GXXBXBIZKUXPJM-XQQFMLRXSA-N 1 0 270.417 2.214 10 0 CEAERO COC(=O)c1csc(C[NH2+][C@@H](C)[C@H]2CCCO2)c1 ZINC000602510024 347062001 /nfs/dbraw/zinc/06/20/01/347062001.db2.gz IJZCSIIFGHGRBV-JOYOIKCWSA-N 1 0 269.366 2.192 10 0 CEAERO [NH3+][C@H]1CSC[C@@H]1Cc1coc(Br)c1 ZINC000307450813 344722739 /nfs/dbraw/zinc/72/27/39/344722739.db2.gz RUBWWSMPRJIYDB-YUMQZZPRSA-N 1 0 262.172 2.275 10 0 CEAERO NC(=[NH2+])Nc1cc(I)ccc1Cl ZINC000300888602 344701947 /nfs/dbraw/zinc/70/19/47/344701947.db2.gz CRPDEVMCQJRCKN-UHFFFAOYSA-N 1 0 295.511 2.250 10 0 CEAERO Oc1ccc(C[NH2+]C2CSC2)cc1Br ZINC000306603144 344715255 /nfs/dbraw/zinc/71/52/55/344715255.db2.gz WVPNVMVKCZAZBG-UHFFFAOYSA-N 1 0 274.183 2.360 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)Cc2ccc(Br)o2)C1 ZINC000306676037 344716188 /nfs/dbraw/zinc/71/61/88/344716188.db2.gz VCCVRZMVDOVDJH-JGVFFNPUSA-N 1 0 270.126 2.057 10 0 CEAERO O[C@@H](c1csc(Br)c1)[C@@H]1CCC[NH2+]1 ZINC000306727026 344716750 /nfs/dbraw/zinc/71/67/50/344716750.db2.gz MHAHXBMSCVASBS-CBAPKCEASA-N 1 0 262.172 2.296 10 0 CEAERO CCC[C@@H]([NH2+]C[C@@H]1CN(CC)CCO1)C1CCC1 ZINC000322868278 539407826 /nfs/dbraw/zinc/40/78/26/539407826.db2.gz VNMKLXPCPQZGBQ-HUUCEWRRSA-N 1 0 254.418 2.266 10 0 CEAERO Cc1nc(NC2CC[NH2+]CC2)c(Cl)cc1C#N ZINC000380093782 344821748 /nfs/dbraw/zinc/82/17/48/344821748.db2.gz HHQSTAJSUDRRQQ-UHFFFAOYSA-N 1 0 250.733 2.079 10 0 CEAERO COC[C@](C)(O)CNc1nccc2c(OC)cccc21 ZINC000382560033 344826287 /nfs/dbraw/zinc/82/62/87/344826287.db2.gz LECFZUBFDCFWRP-OAHLLOKOSA-N 1 0 276.336 2.053 10 0 CEAERO CC[NH2+][C@H](C)CNc1cc(OC)c(C)cc1[N+](=O)[O-] ZINC000387536668 344833050 /nfs/dbraw/zinc/83/30/50/344833050.db2.gz NRRAQMNIGWDPGZ-SNVBAGLBSA-N 1 0 267.329 2.322 10 0 CEAERO Cc1ccc(C)c([C@@H](C)[NH2+]C2CCN(CCO)CC2)c1 ZINC000399094465 344857246 /nfs/dbraw/zinc/85/72/46/344857246.db2.gz VCFFHVYMEFUTBJ-OAHLLOKOSA-N 1 0 276.424 2.411 10 0 CEAERO CC[NH2+]Cc1ccc2c(ccn2CCCS(C)(=O)=O)c1 ZINC000083793246 178748424 /nfs/dbraw/zinc/74/84/24/178748424.db2.gz QUVCGSMBHQMWGQ-UHFFFAOYSA-N 1 0 294.420 2.186 10 0 CEAERO CC[C@@](C)(C[NH3+])NC(=O)c1ccc2ncccc2c1 ZINC000083876731 178756756 /nfs/dbraw/zinc/75/67/56/178756756.db2.gz LIYRVYJELTZMHF-HNNXBMFYSA-N 1 0 257.337 2.092 10 0 CEAERO [NH3+]C[C@@H]1CCCN1C(=O)/C=C/c1ccc(Br)o1 ZINC000493128666 290736577 /nfs/dbraw/zinc/73/65/77/290736577.db2.gz UHVLQKQBSWPMJG-DNQSNQRASA-N 1 0 299.168 2.005 10 0 CEAERO Fc1cc(CN2CC[C@@H]3OCC[NH2+][C@@H]3C2)ccc1Cl ZINC000404288397 344879027 /nfs/dbraw/zinc/87/90/27/344879027.db2.gz YVDPYVQXRKBVQL-KGLIPLIRSA-N 1 0 284.762 2.042 10 0 CEAERO [NH3+][C@H](C1=COCC1)c1nscc1Br ZINC000404790234 344882643 /nfs/dbraw/zinc/88/26/43/344882643.db2.gz QWFCCEWFTRWBAO-SSDOTTSWSA-N 1 0 261.144 2.210 10 0 CEAERO C[NH2+][C@H](C[S@@](=O)c1ccc(F)cc1F)C1CC1 ZINC000084032026 178773136 /nfs/dbraw/zinc/77/31/36/178773136.db2.gz XRVSUHLKZNRTJS-DIFFPNOSSA-N 1 0 259.321 2.070 10 0 CEAERO CC[NH2+][C@H](C)CC[S@@](=O)c1cccc(OC)c1 ZINC000084003439 178770220 /nfs/dbraw/zinc/77/02/20/178770220.db2.gz QPESMGNSRKYOGM-DIFFPNOSSA-N 1 0 255.383 2.191 10 0 CEAERO COc1ccc(C)cc1[C@H]([NH3+])C[S@@](=O)C(C)C ZINC000084042293 178776499 /nfs/dbraw/zinc/77/64/99/178776499.db2.gz YQTFSGSZXCHVMI-PXAZEXFGSA-N 1 0 255.383 2.161 10 0 CEAERO COc1ccc([C@H](C)[NH3+])cc1C[S@](=O)C1CCOCC1 ZINC000084053340 178779426 /nfs/dbraw/zinc/77/94/26/178779426.db2.gz QQPCXLORYPLBFW-PRWKNARSSA-N 1 0 297.420 2.143 10 0 CEAERO CCOC(=O)[C@@H](CC)Oc1cccc([C@@H](C)[NH3+])c1 ZINC000084098248 178788985 /nfs/dbraw/zinc/78/89/85/178788985.db2.gz LLISSTAMRWERHJ-ZWNOBZJWSA-N 1 0 251.326 2.427 10 0 CEAERO CC(C)(C)[S@@](=O)N[C@@H]1C(F)(F)CCC12CC[NH2+]CC2 ZINC000584627501 344968752 /nfs/dbraw/zinc/96/87/52/344968752.db2.gz TXGRWMPPONDDSW-APBUJDDRSA-N 1 0 294.411 2.206 10 0 CEAERO [NH3+]CCc1cn(Cc2csc3ccccc23)nn1 ZINC000084131496 178799109 /nfs/dbraw/zinc/79/91/09/178799109.db2.gz GWOZSFGNHVIFBN-UHFFFAOYSA-N 1 0 258.350 2.042 10 0 CEAERO CNc1c(N)c[nH+]c2c(Br)ccc(OC)c12 ZINC000584882751 344996230 /nfs/dbraw/zinc/99/62/30/344996230.db2.gz PCSBKRIFTVIAIG-UHFFFAOYSA-N 1 0 282.141 2.052 10 0 CEAERO COc1ccc2ccnc(C3(C(=[NH2+])NO)CC3)c2c1 ZINC000584881161 344996275 /nfs/dbraw/zinc/99/62/75/344996275.db2.gz DHOVRLXNINJFBI-UHFFFAOYSA-N 1 0 257.293 2.231 10 0 CEAERO COc1ccc(COC(=O)CC2([NH3+])CCCC2)cc1 ZINC000084148344 178803967 /nfs/dbraw/zinc/80/39/67/178803967.db2.gz KXGCBHWFNXVHFF-UHFFFAOYSA-N 1 0 263.337 2.400 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1ccc(F)c(F)c1 ZINC000054290194 362521364 /nfs/dbraw/zinc/52/13/64/362521364.db2.gz SSEYMCYCZRWYDD-SECBINFHSA-N 1 0 254.280 2.293 10 0 CEAERO CCc1ccc(CN(C(=O)[C@@H](C)[NH2+]C)C2CC2)cc1 ZINC000054075023 362510506 /nfs/dbraw/zinc/51/05/06/362510506.db2.gz FBPLECMJMJQNAU-GFCCVEGCSA-N 1 0 260.381 2.348 10 0 CEAERO Cc1cc([C@@H]2CCCN2C(=O)CC2([NH3+])CCCC2)on1 ZINC000084182289 178816780 /nfs/dbraw/zinc/81/67/80/178816780.db2.gz IUZNLKFCKPEPJZ-LBPRGKRZSA-N 1 0 277.368 2.308 10 0 CEAERO CN(Cc1ccoc1)C(=O)CC1([NH3+])CCCCC1 ZINC000084184934 178818868 /nfs/dbraw/zinc/81/88/68/178818868.db2.gz HSJLILGTPPFPIJ-UHFFFAOYSA-N 1 0 250.342 2.290 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)N1CCC[C@H]1c1ccncc1 ZINC000054306193 362525087 /nfs/dbraw/zinc/52/50/87/362525087.db2.gz BBGBENKMKFUEIV-HIFRSBDPSA-N 1 0 273.380 2.135 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)N1CCC[C@H]1c1cccnc1 ZINC000054306169 362525488 /nfs/dbraw/zinc/52/54/88/362525488.db2.gz HZRJUQAMBBYOCO-HIFRSBDPSA-N 1 0 273.380 2.135 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)NCc1ccc(F)c(Cl)c1 ZINC000054309112 362526204 /nfs/dbraw/zinc/52/62/04/362526204.db2.gz PKPMVPDFPXLRLA-JTQLQIEISA-N 1 0 284.762 2.485 10 0 CEAERO Cc1ccc(S(=O)(=O)[C@H](CC[NH3+])C(F)(F)F)c(C)c1 ZINC000084268420 178835140 /nfs/dbraw/zinc/83/51/40/178835140.db2.gz GSWFAWKBCZSASL-LLVKDONJSA-N 1 0 295.326 2.357 10 0 CEAERO C[C@@H]1CC[C@@H](C[NH3+])[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000084267746 178835382 /nfs/dbraw/zinc/83/53/82/178835382.db2.gz GNPMTKBISFNXBL-MBNYWOFBSA-N 1 0 267.394 2.224 10 0 CEAERO CCOC(=O)[C@@](C)(N)C[C@H](C)[N@H+](C)C1CCCCC1 ZINC000084303316 178851605 /nfs/dbraw/zinc/85/16/05/178851605.db2.gz LFDOOARDWXOSBK-WFASDCNBSA-N 1 0 270.417 2.310 10 0 CEAERO C[NH2+][C@H](C[C@@H]1CCS(=O)(=O)C1)c1cc(C)ccc1F ZINC000097122228 185540372 /nfs/dbraw/zinc/54/03/72/185540372.db2.gz FYHCTYVXSXICOX-SMDDNHRTSA-N 1 0 285.384 2.219 10 0 CEAERO CCCn1nc(C)c(N)c1N(CC[NH+](C)C)CC(C)C ZINC000097125102 185541820 /nfs/dbraw/zinc/54/18/20/185541820.db2.gz DPRLQFLGHQDKMG-UHFFFAOYSA-N 1 0 281.448 2.208 10 0 CEAERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccccc2Cl)CCO1 ZINC000116928832 232200957 /nfs/dbraw/zinc/20/09/57/232200957.db2.gz FLYRJBMROLZEAJ-LLVKDONJSA-N 1 0 297.786 2.134 10 0 CEAERO C[NH2+][C@@H]1CC[C@H](Sc2nnnn2C2CCCC2)C1 ZINC000084435438 178888268 /nfs/dbraw/zinc/88/82/68/178888268.db2.gz ILWDCJJFUQEAIH-KOLCDFICSA-N 1 0 267.402 2.021 10 0 CEAERO C[NH2+][C@H](c1cccc2c1OCCO2)C1CCOCC1 ZINC000097180668 185556658 /nfs/dbraw/zinc/55/66/58/185556658.db2.gz ZYMZZZUGEVYKIM-AWEZNQCLSA-N 1 0 263.337 2.145 10 0 CEAERO CCC[N@H+](CC)C1(CN)CCN(C(=O)OC(C)(C)C)CC1 ZINC000058041171 362605908 /nfs/dbraw/zinc/60/59/08/362605908.db2.gz LNEFURMXWIPLBC-UHFFFAOYSA-N 1 0 299.459 2.447 10 0 CEAERO Cc1cc(C[C@H]([NH3+])c2ccn(-c3ccccc3)n2)n(C)n1 ZINC000097273404 185575187 /nfs/dbraw/zinc/57/51/87/185575187.db2.gz UQRKDBYNDREGEX-HNNXBMFYSA-N 1 0 281.363 2.157 10 0 CEAERO Cc1nn(C)c(C[C@@H]([NH3+])c2ccc(C)nc2)c1Cl ZINC000097274038 185575389 /nfs/dbraw/zinc/57/53/89/185575389.db2.gz NQZYLCUMTBWABD-LLVKDONJSA-N 1 0 264.760 2.328 10 0 CEAERO CC[NH2+][C@H](CCC(F)(F)F)C[C@H]1CCS(=O)(=O)C1 ZINC000097233101 185569777 /nfs/dbraw/zinc/56/97/77/185569777.db2.gz QXOJTPDNBZJSAO-NXEZZACHSA-N 1 0 287.347 2.132 10 0 CEAERO CCc1nnsc1[C@@H](Cc1c(Cl)c(C)nn1C)[NH2+]C ZINC000097273708 185575854 /nfs/dbraw/zinc/57/58/54/185575854.db2.gz WSCRPEXNGPTBMA-SECBINFHSA-N 1 0 299.831 2.299 10 0 CEAERO CCc1nn(C)c(C[C@@H]([NH2+]C)c2snnc2C)c1Cl ZINC000097276151 185576611 /nfs/dbraw/zinc/57/66/11/185576611.db2.gz KAZIAPFVOLFAQE-SECBINFHSA-N 1 0 299.831 2.299 10 0 CEAERO CC[NH2+][C@@H](Cc1ncnn1C(C)C)c1ccc(C)nc1 ZINC000097277586 185576691 /nfs/dbraw/zinc/57/66/91/185576691.db2.gz IYNLNTZWZRYUQT-AWEZNQCLSA-N 1 0 273.384 2.456 10 0 CEAERO CCc1nn(C)c(C[C@H](COC(C)C)[NH2+]C)c1Cl ZINC000097276025 185576820 /nfs/dbraw/zinc/57/68/20/185576820.db2.gz YJCPVUWSZGQNOX-SNVBAGLBSA-N 1 0 273.808 2.191 10 0 CEAERO CCc1cc(C[C@H]([NH3+])c2cncc(C)c2)n(CC)n1 ZINC000097279952 185577377 /nfs/dbraw/zinc/57/73/77/185577377.db2.gz SQBUABHIVWVFIG-HNNXBMFYSA-N 1 0 258.369 2.411 10 0 CEAERO CC[NH2+][C@@H](Cc1ccncc1)c1c(C)nn(C)c1C ZINC000097277830 185577689 /nfs/dbraw/zinc/57/76/89/185577689.db2.gz WAPRAEPFFWBHPK-AWEZNQCLSA-N 1 0 258.369 2.325 10 0 CEAERO C[C@H]1CC(NC(=O)[C@@H]([NH3+])Cc2ccccc2)C[C@@H](C)C1 ZINC000084977573 178936826 /nfs/dbraw/zinc/93/68/26/178936826.db2.gz SINIDMXPYBINHK-AMFJVREVSA-N 1 0 274.408 2.497 10 0 CEAERO COc1ccc(Br)c(CC2([NH3+])CC2)c1 ZINC000085034740 178943984 /nfs/dbraw/zinc/94/39/84/178943984.db2.gz LHQBWGSPMLKDBK-UHFFFAOYSA-N 1 0 256.143 2.492 10 0 CEAERO COc1ccc(C)cc1[C@H](C)NC(=O)CC(C)(C)[NH3+] ZINC000084166278 539499642 /nfs/dbraw/zinc/49/96/42/539499642.db2.gz HXRUJIPCCDDCAW-NSHDSACASA-N 1 0 264.369 2.308 10 0 CEAERO COC(=O)C[C@H](c1cccc(OC)c1)C(C)(C)[NH3+] ZINC000097433875 185603402 /nfs/dbraw/zinc/60/34/02/185603402.db2.gz BGDDZLLFILBPOX-GFCCVEGCSA-N 1 0 251.326 2.079 10 0 CEAERO CC[NH2+][C@H](c1c(C)nn(C)c1C)[C@@H](C)CCOC ZINC000097424712 185601727 /nfs/dbraw/zinc/60/17/27/185601727.db2.gz HIUMDHPWNSEKIK-HZMBPMFUSA-N 1 0 253.390 2.360 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](CC(=O)OC)c1cnn(-c2ccccc2)c1 ZINC000097432299 185602216 /nfs/dbraw/zinc/60/22/16/185602216.db2.gz ZSTDYDDNNKSWOM-LSDHHAIUSA-N 1 0 287.363 2.256 10 0 CEAERO CCC[NH2+]CCN(C)Cc1ccn([C@H](C)CC)n1 ZINC000085179897 178963641 /nfs/dbraw/zinc/96/36/41/178963641.db2.gz UNMAUUFFGDKBCC-CYBMUJFWSA-N 1 0 252.406 2.286 10 0 CEAERO Cc1ccccc1N(C)CCCC[C@@](C)([NH3+])CO ZINC000085214717 178978763 /nfs/dbraw/zinc/97/87/63/178978763.db2.gz VAHBDVLACQJPOW-OAHLLOKOSA-N 1 0 250.386 2.311 10 0 CEAERO CCC[NH2+][C@@](C)(CO)CN1CCC(C)(CC)CC1 ZINC000085212829 178977482 /nfs/dbraw/zinc/97/74/82/178977482.db2.gz KQNBZXHXJITOAB-OAHLLOKOSA-N 1 0 256.434 2.249 10 0 CEAERO CCOC(=O)c1cccnc1N[C@@H](C)CCCC[NH3+] ZINC000311438817 201890248 /nfs/dbraw/zinc/89/02/48/201890248.db2.gz FXDPZVBSAAUDRC-NSHDSACASA-N 1 0 265.357 2.188 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCCN(C)c1ccc(F)cc1 ZINC000085214345 178978718 /nfs/dbraw/zinc/97/87/18/178978718.db2.gz GFGQSOAMNXEPSK-OAHLLOKOSA-N 1 0 268.376 2.403 10 0 CEAERO CCCC1CCN(C[C@@](CO)([NH2+]CC)C2CC2)CC1 ZINC000085210941 178973668 /nfs/dbraw/zinc/97/36/68/178973668.db2.gz JPEZDPCYUILETK-INIZCTEOSA-N 1 0 268.445 2.249 10 0 CEAERO [NH3+][C@@H]1Cc2ccccc2N(C(=O)NC2CCCC2)C1 ZINC000094892016 136514902 /nfs/dbraw/zinc/51/49/02/136514902.db2.gz XOHXLHIPKVUFIU-GFCCVEGCSA-N 1 0 259.353 2.029 10 0 CEAERO CCC[NH2+][C@@](C)(CO)CCn1ccnc1C(C)C ZINC000085263122 178993279 /nfs/dbraw/zinc/99/32/79/178993279.db2.gz DACJTWFHJCWXGF-CQSZACIVSA-N 1 0 253.390 2.147 10 0 CEAERO COc1ccc([C@@H](NN)C(C)(C)[NH+]2CCCC2)c(C)c1 ZINC000097581477 185629561 /nfs/dbraw/zinc/62/95/61/185629561.db2.gz NDBWPMLRHKYNKX-OAHLLOKOSA-N 1 0 277.412 2.382 10 0 CEAERO CC[C@@](C)([C@H](Cc1c(F)cccc1F)NN)[NH+](C)C ZINC000097583391 185631147 /nfs/dbraw/zinc/63/11/47/185631147.db2.gz MNBPZRBPTPVIHD-KBPBESRZSA-N 1 0 271.355 2.070 10 0 CEAERO COc1ccc(CC[C@H](NN)C2([NH+](C)C)CCCC2)cc1 ZINC000097587479 185633381 /nfs/dbraw/zinc/63/33/81/185633381.db2.gz HTMRFMGUGQOUHI-INIZCTEOSA-N 1 0 291.439 2.334 10 0 CEAERO Cc1ccc(OCC[C@@H](CO)[NH2+]C(C)C)c(C)c1 ZINC000085283472 179001443 /nfs/dbraw/zinc/00/14/43/179001443.db2.gz JEAJUGYALGAYOX-AWEZNQCLSA-N 1 0 251.370 2.431 10 0 CEAERO C[NH2+][C@](C)(CO)C[C@H](C)Oc1cc(C)ccc1C ZINC000085284559 179002058 /nfs/dbraw/zinc/00/20/58/179002058.db2.gz FXPDKDVXPNZTGX-ZFWWWQNUSA-N 1 0 251.370 2.431 10 0 CEAERO CC(C)(C)c1ccc(OCC[C@](C)([NH3+])CO)cc1 ZINC000085284338 179002112 /nfs/dbraw/zinc/00/21/12/179002112.db2.gz XLPGVGNBDKUTNU-HNNXBMFYSA-N 1 0 251.370 2.463 10 0 CEAERO Cc1c(Cl)cnn1CCC[C@@](C)(CO)[NH2+]C(C)C ZINC000085264647 178994995 /nfs/dbraw/zinc/99/49/95/178994995.db2.gz IBVYXAHGRYUJGL-ZDUSSCGKSA-N 1 0 273.808 2.374 10 0 CEAERO C[NH2+][C@@H](CO)COc1cc(C)ccc1C(C)(C)C ZINC000085267403 178997149 /nfs/dbraw/zinc/99/71/49/178997149.db2.gz CQZZYUSOVPDBKG-LBPRGKRZSA-N 1 0 251.370 2.252 10 0 CEAERO CCC[NH2+][C@](C)(CO)COc1ccc(C)c(C)c1 ZINC000085284724 179002717 /nfs/dbraw/zinc/00/27/17/179002717.db2.gz CLEQHGILNCTSJQ-OAHLLOKOSA-N 1 0 251.370 2.433 10 0 CEAERO CCC[NH2+][C@@](C)(CO)CCCCOCCOC(C)C ZINC000085270255 178998798 /nfs/dbraw/zinc/99/87/98/178998798.db2.gz CQYUSGHFARXEAR-OAHLLOKOSA-N 1 0 275.433 2.349 10 0 CEAERO C[NH+](C)C1([C@@H](NN)c2cccnc2)CCCCCC1 ZINC000097591532 185634665 /nfs/dbraw/zinc/63/46/65/185634665.db2.gz LCNFBLNEQUDBDX-AWEZNQCLSA-N 1 0 262.401 2.241 10 0 CEAERO CC[NH2+][C@@](C)(CO)C[C@H](C)Oc1ccc(OC)cc1 ZINC000085285634 179003511 /nfs/dbraw/zinc/00/35/11/179003511.db2.gz CQXPEHMLASHUAU-SWLSCSKDSA-N 1 0 267.369 2.213 10 0 CEAERO CC(C)(C)c1cccc(OC[C@@H](CO)[NH2+]C2CC2)c1 ZINC000085286520 179003813 /nfs/dbraw/zinc/00/38/13/179003813.db2.gz CNEVUGIIEJJEOR-CQSZACIVSA-N 1 0 263.381 2.476 10 0 CEAERO C[C@H]1CC(OCC[C@@H](CO)[NH2+]C2CC2)C[C@H](C)C1 ZINC000085287573 179004699 /nfs/dbraw/zinc/00/46/99/179004699.db2.gz ZCWHJWAOVBVSMF-BZPMIXESSA-N 1 0 255.402 2.331 10 0 CEAERO C[C@H]1CC(OC[C@@](C)(CO)[NH2+]C2CC2)C[C@@H](C)C1 ZINC000085287511 179004846 /nfs/dbraw/zinc/00/48/46/179004846.db2.gz PKNBONJRXQWKDX-BNGAQMRFSA-N 1 0 255.402 2.331 10 0 CEAERO CC(C)[NH2+][C@H](CO)CCOc1ccc(F)c(F)c1 ZINC000085286779 179004854 /nfs/dbraw/zinc/00/48/54/179004854.db2.gz FBVDLPBTHQYTJY-JTQLQIEISA-N 1 0 259.296 2.093 10 0 CEAERO C[NH2+][C@@](C)(CO)CCCCSc1nc(C)cc(C)n1 ZINC000085287950 179005144 /nfs/dbraw/zinc/00/51/44/179005144.db2.gz KEOYLOQZADAUMD-CQSZACIVSA-N 1 0 283.441 2.326 10 0 CEAERO C[C@@](CO)(CSCc1ccccc1)[NH2+]C1CC1 ZINC000085290496 179006517 /nfs/dbraw/zinc/00/65/17/179006517.db2.gz UNFORKNXQHWAKC-CQSZACIVSA-N 1 0 251.395 2.423 10 0 CEAERO [NH3+][C@](CO)(CSc1ccc(C(F)(F)F)cn1)C1CC1 ZINC000085291770 179007006 /nfs/dbraw/zinc/00/70/06/179007006.db2.gz GUOPPXNGYTZXJC-LLVKDONJSA-N 1 0 292.326 2.292 10 0 CEAERO C[C@H](C[C@](C)([NH3+])CO)Sc1nc2ccccc2[nH]1 ZINC000085291688 179007471 /nfs/dbraw/zinc/00/74/71/179007471.db2.gz XGXOGWFGDAJEAS-RNCFNFMXSA-N 1 0 265.382 2.143 10 0 CEAERO CC(C)[NH2+][C@@](CO)(CSc1ccccn1)C1CC1 ZINC000085292030 179007989 /nfs/dbraw/zinc/00/79/89/179007989.db2.gz STGAOJKSSUFMSC-AWEZNQCLSA-N 1 0 266.410 2.313 10 0 CEAERO CCC[NH2+][C@@](CO)(CSc1ncc(C)cn1)C1CC1 ZINC000085297796 179009028 /nfs/dbraw/zinc/00/90/28/179009028.db2.gz FERTUMMAISVGDJ-AWEZNQCLSA-N 1 0 281.425 2.018 10 0 CEAERO COCCSC[C@](CO)([NH2+]C(C)C)c1ccccc1 ZINC000085298008 179009192 /nfs/dbraw/zinc/00/91/92/179009192.db2.gz FNYOHKMXWHFGPZ-HNNXBMFYSA-N 1 0 283.437 2.252 10 0 CEAERO C[NH2+][C@](C)(CO)CCCOc1ccc(C)c(C)c1 ZINC000085284708 179003049 /nfs/dbraw/zinc/00/30/49/179003049.db2.gz XACUAJXATPSYHN-HNNXBMFYSA-N 1 0 251.370 2.433 10 0 CEAERO C[C@H](C[C@@](C)(CO)[NH2+]C1CC1)Oc1cccc(F)c1 ZINC000085285491 179003173 /nfs/dbraw/zinc/00/31/73/179003173.db2.gz JUNPGLAHPOSBEJ-ABAIWWIYSA-N 1 0 267.344 2.486 10 0 CEAERO CCN(CCC[C@@](C)(O)C[NH3+])c1ccc(F)cc1 ZINC000085303501 179011044 /nfs/dbraw/zinc/01/10/44/179011044.db2.gz ADOJSQPBYYTTEE-CQSZACIVSA-N 1 0 254.349 2.142 10 0 CEAERO CCN(C[C@](C)(O)C[NH3+])c1cccc2ccccc21 ZINC000085303890 179011353 /nfs/dbraw/zinc/01/13/53/179011353.db2.gz MZPVOCIDKSTGLO-MRXNPFEDSA-N 1 0 258.365 2.376 10 0 CEAERO C[C@@H](C[C@@](C)(O)C[NH3+])n1cc(-c2ccccc2)cn1 ZINC000085304459 179011446 /nfs/dbraw/zinc/01/14/46/179011446.db2.gz WXFWGOKXGRHYDW-SWLSCSKDSA-N 1 0 259.353 2.211 10 0 CEAERO [NH3+]C[C@@](O)(COCC1CCCCC1)c1ccccc1 ZINC000085305010 179011989 /nfs/dbraw/zinc/01/19/89/179011989.db2.gz SNJFBJUGJZZHSV-MRXNPFEDSA-N 1 0 263.381 2.430 10 0 CEAERO C[C@@](O)(C[NH3+])COc1ccccc1-c1ccccc1 ZINC000085306436 179012777 /nfs/dbraw/zinc/01/27/77/179012777.db2.gz FXYZQVOEOJCKRX-MRXNPFEDSA-N 1 0 257.333 2.442 10 0 CEAERO C[C@@H](C[NH3+])SCc1noc(-c2ccsc2)n1 ZINC000085308263 179013033 /nfs/dbraw/zinc/01/30/33/179013033.db2.gz APWLYDCDBDEETD-ZETCQYMHSA-N 1 0 255.368 2.379 10 0 CEAERO CC1(C)Cc2cc([C@H](O)[C@H]3CCC[NH2+]C3)ccc2O1 ZINC000085320739 179014198 /nfs/dbraw/zinc/01/41/98/179014198.db2.gz YGCYQEVAHSBAIJ-WFASDCNBSA-N 1 0 261.365 2.433 10 0 CEAERO CN(Cc1ccccc1F)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085358714 179031154 /nfs/dbraw/zinc/03/11/54/179031154.db2.gz JJENDLLDNRGHDF-TZMCWYRMSA-N 1 0 264.344 2.302 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)N[C@@H]1CCSc2ccccc21 ZINC000085359662 179031859 /nfs/dbraw/zinc/03/18/59/179031859.db2.gz QIVCANUKBILDGM-WCFLWFBJSA-N 1 0 276.405 2.467 10 0 CEAERO CCOCc1ccccc1NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085359268 179032017 /nfs/dbraw/zinc/03/20/17/179032017.db2.gz PTQSHELFQYUXFI-OLZOCXBDSA-N 1 0 262.353 2.289 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)Nc1ccccc1-n1ccnc1 ZINC000085359951 179032416 /nfs/dbraw/zinc/03/24/16/179032416.db2.gz UKFGJJJZEVTGPO-QWHCGFSZSA-N 1 0 284.363 2.328 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000085361153 179032807 /nfs/dbraw/zinc/03/28/07/179032807.db2.gz JFNIBPBOTQMACB-IONNQARKSA-N 1 0 282.727 2.135 10 0 CEAERO CC(C)OC(=O)c1ccc(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000085360919 179033100 /nfs/dbraw/zinc/03/31/00/179033100.db2.gz SBOHSIPDCQZJPC-KGLIPLIRSA-N 1 0 290.363 2.318 10 0 CEAERO Ic1cnc([C@H]2CCC[NH2+]C2)s1 ZINC000085352046 179029625 /nfs/dbraw/zinc/02/96/25/179029625.db2.gz FNEIJQUPPMPOHU-LURJTMIESA-N 1 0 294.161 2.215 10 0 CEAERO COc1cc(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])cc(OC)c1 ZINC000085356015 179030167 /nfs/dbraw/zinc/03/01/67/179030167.db2.gz HOSJCEDQQVOHJW-ZIAGYGMSSA-N 1 0 278.352 2.160 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000085355845 179030191 /nfs/dbraw/zinc/03/01/91/179030191.db2.gz PWEZMYXDHZWVMT-VXGBXAGGSA-N 1 0 286.297 2.449 10 0 CEAERO C[C@H](c1ccccc1F)N(C)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085368077 179038295 /nfs/dbraw/zinc/03/82/95/179038295.db2.gz MHIICCAMXGSNES-OSMZGAPFSA-N 1 0 264.344 2.473 10 0 CEAERO Cc1ccc(CN(C(=O)[C@@H]2CCC[C@H]2[NH3+])C(C)C)o1 ZINC000085368832 179038443 /nfs/dbraw/zinc/03/84/43/179038443.db2.gz DHVHAHPWBJWPNR-ZIAGYGMSSA-N 1 0 264.369 2.452 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000085369019 179038454 /nfs/dbraw/zinc/03/84/54/179038454.db2.gz VCRMIPOUFTWLPC-SGMGOOAPSA-N 1 0 261.369 2.196 10 0 CEAERO C[C@@H](c1ccncc1)N(C)C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085369300 179039351 /nfs/dbraw/zinc/03/93/51/179039351.db2.gz LWNXQOVDEPWAIY-YUTCNCBUSA-N 1 0 261.369 2.119 10 0 CEAERO Cc1ccc(OC[C@@H](C)NC(=O)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000085370566 179040898 /nfs/dbraw/zinc/04/08/98/179040898.db2.gz CVJVBMQFVYGJHO-KBMXLJTQSA-N 1 0 290.407 2.396 10 0 CEAERO CCOC(=O)c1cccc(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000085371889 179041629 /nfs/dbraw/zinc/04/16/29/179041629.db2.gz NCXAAYVMIIMXEQ-ZIAGYGMSSA-N 1 0 290.363 2.319 10 0 CEAERO CCOC(=O)c1ccsc1NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085371611 179041706 /nfs/dbraw/zinc/04/17/06/179041706.db2.gz BZDBSGWOFPHTOX-ONGXEEELSA-N 1 0 296.392 2.381 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000085371956 179041798 /nfs/dbraw/zinc/04/17/98/179041798.db2.gz HDLRUYQFZGKGTP-KBPBESRZSA-N 1 0 287.363 2.101 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)NCc1ccc(F)c(Cl)c1 ZINC000085374205 179042733 /nfs/dbraw/zinc/04/27/33/179042733.db2.gz BGZCWSOUMMZREK-SKDRFNHKSA-N 1 0 270.735 2.223 10 0 CEAERO CC(C)CO[C@H]1C[C@@H]([NH2+][C@@H](C)c2nncn2C)C1(C)C ZINC000085400452 179052068 /nfs/dbraw/zinc/05/20/68/179052068.db2.gz NGNNGBIORSAUBP-XQQFMLRXSA-N 1 0 280.416 2.305 10 0 CEAERO CC(C)CO[C@H]1C[C@@H]([NH2+]CCCc2nnc[nH]2)C1(C)C ZINC000085402215 179052168 /nfs/dbraw/zinc/05/21/68/179052168.db2.gz YTCYYHCFOWCZDH-OLZOCXBDSA-N 1 0 280.416 2.167 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCN2C)C1(C)C ZINC000085398050 179050295 /nfs/dbraw/zinc/05/02/95/179050295.db2.gz OJIHYDFSHAORMQ-BFHYXJOUSA-N 1 0 254.418 2.264 10 0 CEAERO CCC[C@@H]1CN(CCCOCC(F)(F)F)CC[NH2+]1 ZINC000085434697 179061002 /nfs/dbraw/zinc/06/10/02/179061002.db2.gz MVPGJRIHYIBDSR-LLVKDONJSA-N 1 0 268.323 2.029 10 0 CEAERO C[C@@H]([NH2+]CCCC(N)=O)c1cnc2ccsc2c1 ZINC000085433591 179061091 /nfs/dbraw/zinc/06/10/91/179061091.db2.gz VSLIYMNWNNVBCU-SECBINFHSA-N 1 0 263.366 2.212 10 0 CEAERO OCCn1cc(C[NH2+][C@H]2CCCc3sccc32)cn1 ZINC000085433991 179061116 /nfs/dbraw/zinc/06/11/16/179061116.db2.gz RWSMLNNRBKGNLC-ZDUSSCGKSA-N 1 0 277.393 2.104 10 0 CEAERO Brc1cncnc1OCC[C@@H]1CCCC[NH2+]1 ZINC000085467891 179073134 /nfs/dbraw/zinc/07/31/34/179073134.db2.gz IGBXAPNHRIRDFJ-VIFPVBQESA-N 1 0 286.173 2.150 10 0 CEAERO CC(C)[C@@H]1C[N@H+](C[C@@H]2CCOC2)C2(CCCC2)CN1 ZINC000085468407 179073470 /nfs/dbraw/zinc/07/34/70/179073470.db2.gz YCHXOWLRDRVKCB-GJZGRUSLSA-N 1 0 266.429 2.266 10 0 CEAERO C[C@@H]1C[NH2+]C(C)(C)CN1CCCOCC(F)(F)F ZINC000085468941 179074096 /nfs/dbraw/zinc/07/40/96/179074096.db2.gz OZXDGXPDKCMVDD-SNVBAGLBSA-N 1 0 268.323 2.028 10 0 CEAERO CCC[C@H]1CN[C@H](C(C)C)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085450851 179065228 /nfs/dbraw/zinc/06/52/28/179065228.db2.gz CAPZPRMJOHJYAX-KKUMJFAQSA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@@H](C)[C@H]1CNCC[N@@H+]1CCCOCC(F)(F)F ZINC000085452864 179066199 /nfs/dbraw/zinc/06/61/99/179066199.db2.gz YGTYXZANIYEXPD-VXGBXAGGSA-N 1 0 282.350 2.275 10 0 CEAERO COc1cccc(CN2CC[NH2+]C[C@]2(C)C2CC2)c1 ZINC000085452606 179066356 /nfs/dbraw/zinc/06/63/56/179066356.db2.gz XKVVHHDGBMWSIO-MRXNPFEDSA-N 1 0 260.381 2.269 10 0 CEAERO CC[C@]1(C)C[NH2+][C@H](C)CN1Cc1cccc(OC)n1 ZINC000085454170 179066760 /nfs/dbraw/zinc/06/67/60/179066760.db2.gz AZPONGXKHYEKKB-IUODEOHRSA-N 1 0 263.385 2.053 10 0 CEAERO CC[C@@H]1CN[C@@H](C)C[N@@H+]1CCCOCC(F)(F)F ZINC000085453310 179067336 /nfs/dbraw/zinc/06/73/36/179067336.db2.gz YGFBAKMPOUUZAW-WDEREUQCSA-N 1 0 268.323 2.028 10 0 CEAERO CC[C@@H]1CN[C@@H](C(C)(C)C)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085475591 179078921 /nfs/dbraw/zinc/07/89/21/179078921.db2.gz KFIXYZQIPGIXMZ-BFHYXJOUSA-N 1 0 254.418 2.121 10 0 CEAERO CC(C)[C@@H]1CN[C@@H](C(C)(C)C)C[N@@H+]1[C@@H]1CCOC1 ZINC000085475919 179078991 /nfs/dbraw/zinc/07/89/91/179078991.db2.gz QBIYMUUANPLLKR-HZSPNIEDSA-N 1 0 254.418 2.120 10 0 CEAERO [NH3+]Cc1cccc(Nc2ncncc2Br)c1 ZINC000085480661 179080289 /nfs/dbraw/zinc/08/02/89/179080289.db2.gz UEASAOQBMDMTEY-UHFFFAOYSA-N 1 0 279.141 2.441 10 0 CEAERO CC[C@H]1CN[C@@H](CC(C)C)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085487467 179080878 /nfs/dbraw/zinc/08/08/78/179080878.db2.gz RIHSKLHGZMUVNP-KKUMJFAQSA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@H](C)[C@H]1C[N@H+](C[C@@H]2CCOC2)[C@H](C(C)C)CN1 ZINC000085491601 179080931 /nfs/dbraw/zinc/08/09/31/179080931.db2.gz SLDPTHFLNKSIHQ-JONQDZQNSA-N 1 0 268.445 2.367 10 0 CEAERO CC[C@@H](C)[C@@H]1C[N@H+](CCCOC)[C@H](C2CC2)CN1 ZINC000085492029 179080987 /nfs/dbraw/zinc/08/09/87/179080987.db2.gz MRINLDXISBYYGH-SNPRPXQTSA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@@]1(C)CN(Cc2ccccn2)[C@H](C2CC2)C[NH2+]1 ZINC000085495909 179081999 /nfs/dbraw/zinc/08/19/99/179081999.db2.gz FAWWMNCWEYCHCW-HOTGVXAUSA-N 1 0 259.397 2.434 10 0 CEAERO C[C@H]1CN[C@H](c2ccccc2)C[N@@H+]1CCCn1ccnc1 ZINC000085504278 179085020 /nfs/dbraw/zinc/08/50/20/179085020.db2.gz FCCLBVGNOXKQSH-RDJZCZTQSA-N 1 0 284.407 2.308 10 0 CEAERO C[C@@H]1C[NH2+][C@](C)(C2CC2)CN1CCC(F)(F)F ZINC000085509144 179085468 /nfs/dbraw/zinc/08/54/68/179085468.db2.gz KMLMJTDEHSOBHE-KOLCDFICSA-N 1 0 250.308 2.401 10 0 CEAERO CC[C@H]1C[NH2+][C@@](C)(C2CC2)CN1C[C@@H]1CCCO1 ZINC000085510362 179085564 /nfs/dbraw/zinc/08/55/64/179085564.db2.gz DRRPVRNFNNJYHS-SOUVJXGZSA-N 1 0 252.402 2.018 10 0 CEAERO CC(C)OCCN1C[C@@](C)(C2CC2)[NH2+]C[C@@H]1C1CC1 ZINC000085513512 179086478 /nfs/dbraw/zinc/08/64/78/179086478.db2.gz MTCIFBJJNKAKOZ-CVEARBPZSA-N 1 0 266.429 2.264 10 0 CEAERO CCC1(CC)CN(CCCn2ccnc2)[C@@H](C)C[NH2+]1 ZINC000085516641 179087375 /nfs/dbraw/zinc/08/73/75/179087375.db2.gz JCHIIMCZVXTBGJ-AWEZNQCLSA-N 1 0 264.417 2.126 10 0 CEAERO CCC1(CC)CN[C@](C)(C2CC2)C[N@@H+]1CCOC ZINC000085515623 179087394 /nfs/dbraw/zinc/08/73/94/179087394.db2.gz RQUYJVWUOXZNNS-AWEZNQCLSA-N 1 0 254.418 2.266 10 0 CEAERO CCC1(CC)CN([C@@H]2CCOC2)[C@@H](C2CC2)C[NH2+]1 ZINC000085519155 179087874 /nfs/dbraw/zinc/08/78/74/179087874.db2.gz HMBZIZLNLCAMBQ-ZIAGYGMSSA-N 1 0 252.402 2.018 10 0 CEAERO CC[C@@]1(C)CN(CC(F)(F)F)[C@H](C2CC2)C[NH2+]1 ZINC000085495954 179082588 /nfs/dbraw/zinc/08/25/88/179082588.db2.gz AGRQPPBJHNVJDC-QWRGUYRKSA-N 1 0 250.308 2.401 10 0 CEAERO CC[C@H]1C[NH2+]C2(CCCC2)CN1CCOC(C)C ZINC000085497710 179083694 /nfs/dbraw/zinc/08/36/94/179083694.db2.gz UOFPIRHJPQXNPX-AWEZNQCLSA-N 1 0 254.418 2.408 10 0 CEAERO CC[C@@]1(C)C[N@H+](CCCOC)C2(CCCC2)CN1 ZINC000085497073 179083891 /nfs/dbraw/zinc/08/38/91/179083891.db2.gz LRYWBOKAOROUGQ-AWEZNQCLSA-N 1 0 254.418 2.410 10 0 CEAERO C[C@H]1C[NH2+][C@H](c2ccccc2)CN1Cc1ncccn1 ZINC000085504495 179084357 /nfs/dbraw/zinc/08/43/57/179084357.db2.gz GSXIUFRJFIRBJM-ZFWWWQNUSA-N 1 0 268.364 2.012 10 0 CEAERO Cc1nc2c(n1[C@@H]1CCOc3ccccc31)CC[NH2+]C2 ZINC000085571147 179097562 /nfs/dbraw/zinc/09/75/62/179097562.db2.gz BNGDGVRUCOCRGK-CQSZACIVSA-N 1 0 269.348 2.209 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@H](C2CC2)CN1CCOCC(F)(F)F ZINC000085523281 179088797 /nfs/dbraw/zinc/08/87/97/179088797.db2.gz QKQBRBDCJNCRAZ-CHWSQXEVSA-N 1 0 294.361 2.418 10 0 CEAERO COc1cccc(CN2C[C@@H](C3CC3)[NH2+]C[C@@H]2C(C)C)n1 ZINC000085524374 179088838 /nfs/dbraw/zinc/08/88/38/179088838.db2.gz PARIVZXQQGKXDY-JKSUJKDBSA-N 1 0 289.423 2.299 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@@H](C2CC2)CN1Cc1ccccn1 ZINC000085524347 179088873 /nfs/dbraw/zinc/08/88/73/179088873.db2.gz DDENHOHZGNWGDX-CVEARBPZSA-N 1 0 259.397 2.290 10 0 CEAERO C(C1CCOCC1)[N@@H+]1C[C@@H](C2CC2)NCC12CCCC2 ZINC000085529174 179091185 /nfs/dbraw/zinc/09/11/85/179091185.db2.gz CRGSOAFEJYMCJA-INIZCTEOSA-N 1 0 278.440 2.410 10 0 CEAERO C[C@@H]1CN[C@@](C)(c2ccccc2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085531705 179091496 /nfs/dbraw/zinc/09/14/96/179091496.db2.gz BRPUYZLVBUCNEN-HYVNUMGLSA-N 1 0 274.408 2.375 10 0 CEAERO C[C@@H]1CN[C@](C)(c2ccccc2)C[N@@H+]1CCn1cccn1 ZINC000085531773 179091753 /nfs/dbraw/zinc/09/17/53/179091753.db2.gz GEAJSURXEDIIKG-WBVHZDCISA-N 1 0 284.407 2.092 10 0 CEAERO C[C@@H]1C[NH2+][C@@](C)(c2ccccc2)CN1Cc1ncccn1 ZINC000085531671 179091972 /nfs/dbraw/zinc/09/19/72/179091972.db2.gz FYJZHOHBBUBGCQ-RHSMWYFYSA-N 1 0 282.391 2.186 10 0 CEAERO CC[NH2+][C@H]1CCOC[C@@H]1Oc1cc(C)ccc1F ZINC000085554790 179093307 /nfs/dbraw/zinc/09/33/07/179093307.db2.gz NOMHLLAXQJCYCL-JSGCOSHPSA-N 1 0 253.317 2.280 10 0 CEAERO CCC[NH2+][C@](C)(CCOc1cc(C)ccc1F)C(N)=O ZINC000085560994 179094212 /nfs/dbraw/zinc/09/42/12/179094212.db2.gz NJXQDMGKJVXWBA-OAHLLOKOSA-N 1 0 282.359 2.147 10 0 CEAERO FC(F)(F)Oc1ccc(-n2cnc3c2CC[NH2+]C3)cc1 ZINC000085567059 179095155 /nfs/dbraw/zinc/09/51/55/179095155.db2.gz KKELCGDIDFWSLB-UHFFFAOYSA-N 1 0 283.253 2.417 10 0 CEAERO Cc1nc2c(n1CCCc1ccccc1)CC[NH2+]C2 ZINC000085570542 179096639 /nfs/dbraw/zinc/09/66/39/179096639.db2.gz HKYHGPVVVNGQLY-UHFFFAOYSA-N 1 0 255.365 2.470 10 0 CEAERO CCc1nc2c(n1CCOc1ccccc1)CC[NH2+]C2 ZINC000085572451 179097325 /nfs/dbraw/zinc/09/73/25/179097325.db2.gz RXCWBZLJVDYBDI-UHFFFAOYSA-N 1 0 271.364 2.170 10 0 CEAERO C[C@H]1CC[NH2+][C@H](C2CC2)CN1CCOCC(F)(F)F ZINC000085626272 179106580 /nfs/dbraw/zinc/10/65/80/179106580.db2.gz OVFZBXPXQRQYQS-JQWIXIFHSA-N 1 0 280.334 2.028 10 0 CEAERO FC(F)(F)c1nc2c(n1CC[C@H]1CCCO1)CC[NH2+]C2 ZINC000085573410 179098059 /nfs/dbraw/zinc/09/80/59/179098059.db2.gz YBAWEYMFYNLZTG-SECBINFHSA-N 1 0 289.301 2.117 10 0 CEAERO CC(C)(C)c1nc2c(n1C[C@@H]1CCCOC1)CC[NH2+]C2 ZINC000085573056 179098612 /nfs/dbraw/zinc/09/86/12/179098612.db2.gz UHUPYQTWLLITHV-LBPRGKRZSA-N 1 0 277.412 2.253 10 0 CEAERO Cc1sc2nc(C)nc(N(C)[C@H](C)C[NH3+])c2c1C ZINC000261553703 282482109 /nfs/dbraw/zinc/48/21/09/282482109.db2.gz AMORWNHUCRVPGC-SSDOTTSWSA-N 1 0 264.398 2.400 10 0 CEAERO C([C@H]1CCCO1)n1c2c(nc1C1CCCC1)C[NH2+]CC2 ZINC000085575342 179099225 /nfs/dbraw/zinc/09/92/25/179099225.db2.gz XIPKNWMGLQQPCW-CYBMUJFWSA-N 1 0 275.396 2.365 10 0 CEAERO CCC[C@@H](COC)n1c(CC)nc2c1CC[NH2+]C2 ZINC000085574684 179099490 /nfs/dbraw/zinc/09/94/90/179099490.db2.gz JYBGQFNKBZZOGM-NSHDSACASA-N 1 0 251.374 2.079 10 0 CEAERO C([C@@H]1CCOC1)n1c2c(nc1C1CCCC1)C[NH2+]CC2 ZINC000085606597 179100480 /nfs/dbraw/zinc/10/04/80/179100480.db2.gz JAXLBFGUQUDNCF-LBPRGKRZSA-N 1 0 275.396 2.223 10 0 CEAERO C[C@H]1CN(Cc2ccc3ccccc3n2)CCC[NH2+]1 ZINC000085610185 179101522 /nfs/dbraw/zinc/10/15/22/179101522.db2.gz HKMPCWVNBFBHQU-ZDUSSCGKSA-N 1 0 255.365 2.419 10 0 CEAERO C([C@@H]1CCOC1)[N@@H+]1CCCN[C@@H](C2CCCCC2)C1 ZINC000085615355 179103874 /nfs/dbraw/zinc/10/38/74/179103874.db2.gz YNNOCPDXUVLTQD-GOEBONIOSA-N 1 0 266.429 2.267 10 0 CEAERO Cc1cnc(C[NH2+][C@H]2[C@H]3CCCO[C@@H]3C2(C)C)cn1 ZINC000085676372 179112391 /nfs/dbraw/zinc/11/23/91/179112391.db2.gz QDRIBUOMGSCHMF-RDBSUJKOSA-N 1 0 261.369 2.078 10 0 CEAERO CC(C)N(C)CC[NH2+][C@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085676314 179112460 /nfs/dbraw/zinc/11/24/60/179112460.db2.gz JXQRPLLYOCGLGY-IHRRRGAJSA-N 1 0 254.418 2.120 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+]C[C@@H]2CCOC2)C12CCCC2 ZINC000085680007 179113085 /nfs/dbraw/zinc/11/30/85/179113085.db2.gz OFPDKZHARLGLJV-MJBXVCDLSA-N 1 0 253.386 2.350 10 0 CEAERO CCO[C@H]1C[C@H]([NH2+]C[C@@H]2CCOC2)C12CCCC2 ZINC000085680003 179113510 /nfs/dbraw/zinc/11/35/10/179113510.db2.gz OFPDKZHARLGLJV-IHRRRGAJSA-N 1 0 253.386 2.350 10 0 CEAERO COC1(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CCCC1 ZINC000336796941 365820978 /nfs/dbraw/zinc/82/09/78/365820978.db2.gz XJIZOKSICCNWSR-UPJWGTAASA-N 1 0 253.386 2.349 10 0 CEAERO Cc1cc([C@H]([NH2+]C(C)C)C(N)=O)ccc1Br ZINC000085707260 179121503 /nfs/dbraw/zinc/12/15/03/179121503.db2.gz KDFIPWWYJRUHTM-NSHDSACASA-N 1 0 285.185 2.282 10 0 CEAERO CCC[NH2+][C@H](C(N)=O)c1ccc(Br)c(C)c1 ZINC000085707276 179121786 /nfs/dbraw/zinc/12/17/86/179121786.db2.gz JZMXXRBPGUYYNX-NSHDSACASA-N 1 0 285.185 2.284 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccccc1N1CCCCC1 ZINC000111271501 136561355 /nfs/dbraw/zinc/56/13/55/136561355.db2.gz BHYATJYSDKFUAJ-KBPBESRZSA-N 1 0 287.407 2.471 10 0 CEAERO C[NH2+]CCCC(=O)Nc1ccc(Br)c(C)n1 ZINC000085729085 179131764 /nfs/dbraw/zinc/13/17/64/179131764.db2.gz GUTXPXWCEDOIGT-UHFFFAOYSA-N 1 0 286.173 2.091 10 0 CEAERO CCS(=O)(=O)c1ccc(N[C@H](C)CCCC[NH3+])cc1 ZINC000336818199 365862933 /nfs/dbraw/zinc/86/29/33/365862933.db2.gz UNOMAHCSIGRIFW-GFCCVEGCSA-N 1 0 284.425 2.410 10 0 CEAERO C[NH2+][C@@H](Cc1ccc(F)cc1Br)CN(C)C ZINC000085798782 179172863 /nfs/dbraw/zinc/17/28/63/179172863.db2.gz HNBOTEIDLAPPGE-NSHDSACASA-N 1 0 289.192 2.280 10 0 CEAERO C[NH2+][C@H](Cc1ccc(F)c(Br)c1)CN(C)C ZINC000085798776 179172919 /nfs/dbraw/zinc/17/29/19/179172919.db2.gz QKVPESIWIUTNLL-SNVBAGLBSA-N 1 0 289.192 2.280 10 0 CEAERO C[NH2+][C@H](Cc1cccc(Br)c1)CN(C)C ZINC000085798841 179172951 /nfs/dbraw/zinc/17/29/51/179172951.db2.gz LMZVKMWTYDLNFI-GFCCVEGCSA-N 1 0 271.202 2.141 10 0 CEAERO COc1cc(C)ccc1NC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000335593181 212305505 /nfs/dbraw/zinc/30/55/05/212305505.db2.gz YEIOFRFXTNFZDI-NWDGAFQWSA-N 1 0 262.353 2.330 10 0 CEAERO [NH3+][C@@]1(c2nc3ccc(F)cc3n2C2CC2)CCOC1 ZINC000085849957 179187739 /nfs/dbraw/zinc/18/77/39/179187739.db2.gz MKNZWADJTAWCJO-AWEZNQCLSA-N 1 0 261.300 2.085 10 0 CEAERO CC[C@H](NC(=O)[C@@]1([NH3+])CCOC1)c1ccc(Cl)cc1 ZINC000085871381 179193263 /nfs/dbraw/zinc/19/32/63/179193263.db2.gz LEPAVROSYYXSEN-GXTWGEPZSA-N 1 0 282.771 2.025 10 0 CEAERO COc1cc(C[NH2+]C[C@H]2CCCC[C@@H]2O)ccc1O ZINC000085963990 179205429 /nfs/dbraw/zinc/20/54/29/179205429.db2.gz PIUGMQDCCUKCCH-OLZOCXBDSA-N 1 0 265.353 2.042 10 0 CEAERO COc1ccc(CCC(=O)NC[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000085964560 179205629 /nfs/dbraw/zinc/20/56/29/179205629.db2.gz RMCFQXVWXAJVFA-GDBMZVCRSA-N 1 0 290.407 2.262 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1CNC(=O)c1cccc(F)c1 ZINC000085967125 179205829 /nfs/dbraw/zinc/20/58/29/179205829.db2.gz ZQLJLMPWHILOAG-WCQYABFASA-N 1 0 250.317 2.073 10 0 CEAERO CCc1ccc(C(=O)NC[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000085967451 179205917 /nfs/dbraw/zinc/20/59/17/179205917.db2.gz HPVNTAVLCMLXKQ-LSDHHAIUSA-N 1 0 260.381 2.496 10 0 CEAERO CCS(=O)(=O)c1ccccc1NC[C@H]1CCCC[C@@H]1[NH3+] ZINC000085975205 179207663 /nfs/dbraw/zinc/20/76/63/179207663.db2.gz QLWHAIWRALHRDU-OLZOCXBDSA-N 1 0 296.436 2.410 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)C1(C)C ZINC000085974048 179208065 /nfs/dbraw/zinc/20/80/65/179208065.db2.gz CDTFKPUTLGNZNS-FQUUOJAGSA-N 1 0 255.402 2.331 10 0 CEAERO CCC[NH2+][C@@H](CCO)CN(C)C1CCCCCC1 ZINC000085921809 179200327 /nfs/dbraw/zinc/20/03/27/179200327.db2.gz YASOGVNEZFZWJF-AWEZNQCLSA-N 1 0 256.434 2.392 10 0 CEAERO C[NH2+][C@H](CCO)COc1ccccc1C(F)(F)F ZINC000085923888 179201083 /nfs/dbraw/zinc/20/10/83/179201083.db2.gz KQKZIHBLGYJYNC-SECBINFHSA-N 1 0 263.259 2.055 10 0 CEAERO CCC[NH2+][C@H](CCO)C[S@](=O)c1ccc(Cl)cc1 ZINC000085926171 179202149 /nfs/dbraw/zinc/20/21/49/179202149.db2.gz AXWZZXCEPTUQLL-KZULUSFZSA-N 1 0 289.828 2.198 10 0 CEAERO O[C@H]1CCCC[C@H]1C[NH2+]CCCOCC(F)(F)F ZINC000085985605 179211693 /nfs/dbraw/zinc/21/16/93/179211693.db2.gz LTXFNDYPCUNNBL-QWRGUYRKSA-N 1 0 269.307 2.096 10 0 CEAERO CC1CCC(OC[C@H](O)C[NH2+]C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000085986393 179212007 /nfs/dbraw/zinc/21/20/07/179212007.db2.gz HCIGYHITOKIKNZ-FXUHHZDVSA-N 1 0 299.455 2.083 10 0 CEAERO CC(C)Cc1ccc([C@@H]([NH3+])[C@H]2CCS(=O)(=O)C2)cc1 ZINC000086020036 179217877 /nfs/dbraw/zinc/21/78/77/179217877.db2.gz IAQWRDAWBZFLLY-LSDHHAIUSA-N 1 0 281.421 2.320 10 0 CEAERO C[C@@H](O)CC[NH2+]CC(=O)Nc1c(Cl)cccc1Cl ZINC000085989236 179213680 /nfs/dbraw/zinc/21/36/80/179213680.db2.gz BIVALYLYYCIOIM-MRVPVSSYSA-N 1 0 291.178 2.292 10 0 CEAERO CCC[NH2+][C@@H]1CC[C@@H](SCC(=O)OCC)[C@@H]1C ZINC000086044006 179222974 /nfs/dbraw/zinc/22/29/74/179222974.db2.gz DSCOUUMATBOXAB-IJLUTSLNSA-N 1 0 259.415 2.449 10 0 CEAERO C[C@H]1[C@H]([NH3+])CC[C@@H]1Sc1nnnn1C1CCCC1 ZINC000086044668 179223098 /nfs/dbraw/zinc/22/30/98/179223098.db2.gz LHLRPAIOBJGUPJ-GDPRMGEGSA-N 1 0 267.402 2.006 10 0 CEAERO Cn1cc([C@H]2CC[N@H+](Cc3nc4ccccc4[nH]3)C2)cn1 ZINC000128503643 187374061 /nfs/dbraw/zinc/37/40/61/187374061.db2.gz USJOSWSRSCUYOK-LBPRGKRZSA-N 1 0 281.363 2.286 10 0 CEAERO C[C@H]1[C@H]([NH2+][C@@H]2CC(=O)N(C3CCCC3)C2=O)CC[C@@H]1C ZINC000086075220 179224932 /nfs/dbraw/zinc/22/49/32/179224932.db2.gz TXUOQGDTFIYTPP-OIMNJJJWSA-N 1 0 278.396 2.081 10 0 CEAERO [NH3+][C@@H](c1ccc(F)c2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000086022860 179218742 /nfs/dbraw/zinc/21/87/42/179218742.db2.gz VAZQCLJEDNYBQB-ZUZCIYMTSA-N 1 0 293.363 2.413 10 0 CEAERO CCC[C@H](C)NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000603582520 347380699 /nfs/dbraw/zinc/38/06/99/347380699.db2.gz WURJRGVEIHLTMZ-XQQFMLRXSA-N 1 0 253.390 2.053 10 0 CEAERO CCC[NH2+][C@@H]1CC[C@@H](S(=O)(=O)[C@@H](C)CC)[C@@H]1C ZINC000086041258 179222183 /nfs/dbraw/zinc/22/21/83/179222183.db2.gz LJGACUIMKMZSJM-UMSGYPCISA-N 1 0 261.431 2.366 10 0 CEAERO CCC[C@H]1CN(CCc2ccc3c(c2)OCCO3)CC[NH2+]1 ZINC000086123537 179235701 /nfs/dbraw/zinc/23/57/01/179235701.db2.gz BESYNPRFVQHEJH-HNNXBMFYSA-N 1 0 290.407 2.074 10 0 CEAERO c1ccc2c(c1)C[C@H](CN1CC[NH2+]C3(CCCC3)C1)O2 ZINC000086146956 179240093 /nfs/dbraw/zinc/24/00/93/179240093.db2.gz JUIMQNWZKYSGRQ-OAHLLOKOSA-N 1 0 272.392 2.208 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C(C)C)CN1[C@@H](C)[C@@H]1CCCO1 ZINC000086154097 179241565 /nfs/dbraw/zinc/24/15/65/179241565.db2.gz XECWMGBZIWPRDG-XGUBFFRZSA-N 1 0 254.418 2.262 10 0 CEAERO CC[C@@H]1CN[C@H](C(C)C)C[N@@H+]1C[C@@H]1CCCOC1 ZINC000086173977 179244469 /nfs/dbraw/zinc/24/44/69/179244469.db2.gz ZOHOJESINVKSDD-ZNMIVQPWSA-N 1 0 254.418 2.121 10 0 CEAERO Cc1ncc(CN2C[C@H](C)[NH2+]C[C@@H]2C(C)C)s1 ZINC000086173019 179244826 /nfs/dbraw/zinc/24/48/26/179244826.db2.gz NVBQFWSRMGTVME-GXFFZTMASA-N 1 0 253.415 2.270 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C)CN1C[C@@H]1Cc2ccccc2O1 ZINC000086174465 179245404 /nfs/dbraw/zinc/24/54/04/179245404.db2.gz CRWPWINPKGYWOC-CFVMTHIKSA-N 1 0 260.381 2.062 10 0 CEAERO c1ccc([C@@H]2C[NH2+]CCN2CCc2ccccn2)cc1 ZINC000086177203 179246501 /nfs/dbraw/zinc/24/65/01/179246501.db2.gz CPRMLYWEDGYYOE-KRWDZBQOSA-N 1 0 267.376 2.271 10 0 CEAERO COC[C@H](C)N1C[C@H](C2CC2)[NH2+]C[C@@H]1c1ccccc1 ZINC000086179955 179246769 /nfs/dbraw/zinc/24/67/69/179246769.db2.gz AIXOKXHNUIRUPG-IAOVAPTHSA-N 1 0 274.408 2.446 10 0 CEAERO CCC1(CC)CN([C@@H](C)[C@@H]2CCCO2)[C@@H](C)C[NH2+]1 ZINC000086218211 179249807 /nfs/dbraw/zinc/24/98/07/179249807.db2.gz ZJFBQSGIUFJQCS-IHRRRGAJSA-N 1 0 254.418 2.406 10 0 CEAERO CCn1cc(N2C[C@H](C3CC3)[NH2+]C[C@@H]2C(C)C)cn1 ZINC000086218522 179250050 /nfs/dbraw/zinc/25/00/50/179250050.db2.gz MQMHITVFZWVZCT-HUUCEWRRSA-N 1 0 262.401 2.116 10 0 CEAERO CC[C@H]1CN[C@@](C)(C2CC2)C[N@@H+]1[C@@H](C)[C@@H]1CCCO1 ZINC000086218148 179250101 /nfs/dbraw/zinc/25/01/01/179250101.db2.gz ZUSWIOOPVOVQKD-QCEMKRCNSA-N 1 0 266.429 2.406 10 0 CEAERO C[C@@H]1C[NH2+][C@](C)(C2CC2)CN1CCc1ccncc1 ZINC000086223306 179251456 /nfs/dbraw/zinc/25/14/56/179251456.db2.gz OWGQUHUEIHMTLE-CJNGLKHVSA-N 1 0 259.397 2.087 10 0 CEAERO [NH3+][C@H]1CCO[C@@H]1c1cc(Br)ccc1F ZINC000086249350 179255346 /nfs/dbraw/zinc/25/53/46/179255346.db2.gz UGEHFNVMKCLNLH-VHSXEESVSA-N 1 0 260.106 2.377 10 0 CEAERO COc1ccc([C@H]2OCC[C@H]2[NH3+])cc1Br ZINC000086249897 179255756 /nfs/dbraw/zinc/25/57/56/179255756.db2.gz NXIKMTHUZYXJHD-MWLCHTKSSA-N 1 0 272.142 2.246 10 0 CEAERO CC[C@@H]1C[NH2+][C@@](C)(CC)CN1Cc1ccnc(C)n1 ZINC000086260217 179259183 /nfs/dbraw/zinc/25/91/83/179259183.db2.gz HIAULZAPSVEHLT-CABCVRRESA-N 1 0 262.401 2.138 10 0 CEAERO CC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1cc(C)no1 ZINC000086260361 179259525 /nfs/dbraw/zinc/25/95/25/179259525.db2.gz FPPZQUGBBJDGSV-HIFRSBDPSA-N 1 0 263.385 2.336 10 0 CEAERO CC[C@]1(C)CN(Cc2ccnc(C)n2)[C@H](C(C)C)C[NH2+]1 ZINC000086260191 179259600 /nfs/dbraw/zinc/25/96/00/179259600.db2.gz TUTIWRIHMOAOAJ-JKSUJKDBSA-N 1 0 276.428 2.384 10 0 CEAERO Cc1cnc(CN2C[C@H](c3ccccc3)[NH2+]C[C@@H]2C)cn1 ZINC000086263051 179259842 /nfs/dbraw/zinc/25/98/42/179259842.db2.gz CCDAZSIWPXBQJS-WMLDXEAASA-N 1 0 282.391 2.320 10 0 CEAERO CC[C@H]1CN[C@H](C2CC2)C[N@@H+]1[C@@H]1CCC[C@@H]1OC ZINC000086261354 179260605 /nfs/dbraw/zinc/26/06/05/179260605.db2.gz VFRCPBBGDQRZJW-XQLPTFJDSA-N 1 0 252.402 2.016 10 0 CEAERO COc1ccc(CN2C[C@](C)(C3CC3)[NH2+]C[C@@H]2C)cn1 ZINC000086263894 179260891 /nfs/dbraw/zinc/26/08/91/179260891.db2.gz DYIUGBCMFYEFDA-BLLLJJGKSA-N 1 0 275.396 2.053 10 0 CEAERO CC[C@@H]1CN[C@@](C)(C2CC2)C[N@@H+]1[C@@H]1CCCOC1 ZINC000086265149 179261224 /nfs/dbraw/zinc/26/12/24/179261224.db2.gz QWZPFAMMRPAERA-RBSFLKMASA-N 1 0 252.402 2.018 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C2CC2)CN1CCc1nc(C)cs1 ZINC000086264222 179261334 /nfs/dbraw/zinc/26/13/34/179261334.db2.gz WTPYSMSINPJQSD-KBPBESRZSA-N 1 0 279.453 2.456 10 0 CEAERO CC[C@H]1CN(c2nc(Br)cs2)CC[N@@H+]1C ZINC000086291214 179265302 /nfs/dbraw/zinc/26/53/02/179265302.db2.gz XJMOXIOCXQUAEZ-QMMMGPOBSA-N 1 0 290.230 2.436 10 0 CEAERO Brc1csc(OCC2CC[NH2+]CC2)n1 ZINC000086291648 179266373 /nfs/dbraw/zinc/26/63/73/179266373.db2.gz KXFUMOFEYOOSTH-UHFFFAOYSA-N 1 0 277.187 2.284 10 0 CEAERO COc1ccc(CN2CCC[NH2+][C@](C)(C3CC3)C2)cn1 ZINC000086296431 179267519 /nfs/dbraw/zinc/26/75/19/179267519.db2.gz ZCXPIHAIVKVDHV-INIZCTEOSA-N 1 0 275.396 2.054 10 0 CEAERO C[C@]1(C2CC2)CN(Cc2cscn2)CCC[NH2+]1 ZINC000086297846 179267778 /nfs/dbraw/zinc/26/77/78/179267778.db2.gz XOTJJXIAQYBYKO-CYBMUJFWSA-N 1 0 251.399 2.107 10 0 CEAERO Cc1cnc(CN2CCC[NH2+]C3(CCCCC3)C2)cn1 ZINC000086295455 179267901 /nfs/dbraw/zinc/26/79/01/179267901.db2.gz SKSHYPDUYRCXHI-UHFFFAOYSA-N 1 0 274.412 2.283 10 0 CEAERO CC1(Cc2ccc(I)cc2)C[NH2+]C1 ZINC000086395243 179285359 /nfs/dbraw/zinc/28/53/59/179285359.db2.gz OMYDIPWLUZNVPN-UHFFFAOYSA-N 1 0 287.144 2.443 10 0 CEAERO [NH3+][C@H]1CC[C@H](Oc2ccc(Br)cn2)C1 ZINC000086408107 179286006 /nfs/dbraw/zinc/28/60/06/179286006.db2.gz KXZSBZUNABXUTK-IUCAKERBSA-N 1 0 257.131 2.103 10 0 CEAERO C[NH2+][C@H]1CCCc2sc(N(C)Cc3nccn3C)nc21 ZINC000086444054 179293918 /nfs/dbraw/zinc/29/39/18/179293918.db2.gz HJODWGLDEMZQKV-JTQLQIEISA-N 1 0 291.424 2.110 10 0 CEAERO CC[C@H]1CN(C(=O)c2ccc(N(C)C)cc2)[C@@H](CC)C[NH2+]1 ZINC000086447895 179296013 /nfs/dbraw/zinc/29/60/13/179296013.db2.gz OFBXXLSWMAUKSU-GJZGRUSLSA-N 1 0 289.423 2.355 10 0 CEAERO CC[C@@H]1CN(C(=O)Cc2ccccc2F)[C@@H](CC)C[NH2+]1 ZINC000086447315 179295868 /nfs/dbraw/zinc/29/58/68/179295868.db2.gz ZZASFTGTWDLAEK-KGLIPLIRSA-N 1 0 278.371 2.357 10 0 CEAERO C[NH+](C)CC1CCN(c2nc3c(s2)CCCC3=O)CC1 ZINC000086441551 179292788 /nfs/dbraw/zinc/29/27/88/179292788.db2.gz SZZNZGHXMDEPLH-UHFFFAOYSA-N 1 0 293.436 2.440 10 0 CEAERO CC[C@@H]1CN(C(=O)c2occc2C)[C@H](CC)C[NH2+]1 ZINC000086446775 179295971 /nfs/dbraw/zinc/29/59/71/179295971.db2.gz PBOPWVWTKNJDEX-VXGBXAGGSA-N 1 0 250.342 2.191 10 0 CEAERO CC[NH2+][C@@H](C)Cc1nc([C@@H]2Cc3ccccc32)no1 ZINC000086486450 179301953 /nfs/dbraw/zinc/30/19/53/179301953.db2.gz AXDSCOKVWIGUAZ-GXFFZTMASA-N 1 0 257.337 2.298 10 0 CEAERO CC(C)(C[NH3+])c1ccc(NS(=O)(=O)CC2CC2)cc1 ZINC000086496354 179302516 /nfs/dbraw/zinc/30/25/16/179302516.db2.gz MRFZZYNASCBIKG-UHFFFAOYSA-N 1 0 282.409 2.075 10 0 CEAERO CCC[C@H]([NH3+])Cc1nc([C@@H]2Cc3ccccc32)no1 ZINC000086492003 179302701 /nfs/dbraw/zinc/30/27/01/179302701.db2.gz DOMLQMYFJVIZJY-WCQYABFASA-N 1 0 257.337 2.428 10 0 CEAERO CCN1C(=[NH2+])NC[C@H]1c1ccc(Br)cc1F ZINC000086459350 179296262 /nfs/dbraw/zinc/29/62/62/179296262.db2.gz WVBAZEKDTAOTAX-JTQLQIEISA-N 1 0 286.148 2.280 10 0 CEAERO CC[C@H]1CN(CC(=O)N(C)c2ccccc2)[C@@H](CC)C[NH2+]1 ZINC000086463681 179296420 /nfs/dbraw/zinc/29/64/20/179296420.db2.gz JQBFQTABKJGLEB-GJZGRUSLSA-N 1 0 289.423 2.112 10 0 CEAERO COC(OC)[C@H]([NH3+])Cc1ccc(Cl)c(Cl)c1 ZINC000086451927 179296613 /nfs/dbraw/zinc/29/66/13/179296613.db2.gz KYWWJKHIPBCUMH-SNVBAGLBSA-N 1 0 264.152 2.482 10 0 CEAERO Cc1cc(C)c(C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)c(C)c1 ZINC000086467261 179297225 /nfs/dbraw/zinc/29/72/25/179297225.db2.gz RMSZSQKTVGAKPE-ZIAGYGMSSA-N 1 0 260.381 2.434 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)N1CCC2(CCC2)CC1 ZINC000308694280 539577609 /nfs/dbraw/zinc/57/76/09/539577609.db2.gz KTLKWSKANFZIMC-ZDUSSCGKSA-N 1 0 250.386 2.169 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1cc(Cl)cn1C1CC1 ZINC000086467584 179297977 /nfs/dbraw/zinc/29/79/77/179297977.db2.gz RZXBCPNMOZIPMF-VHSXEESVSA-N 1 0 281.787 2.299 10 0 CEAERO CC(C)Oc1cccc(C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)c1 ZINC000086467425 179297986 /nfs/dbraw/zinc/29/79/86/179297986.db2.gz TWZJVUPBZGDGBF-STQMWFEESA-N 1 0 276.380 2.296 10 0 CEAERO CSc1ccccc1NC(=O)CN1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000086469928 179299662 /nfs/dbraw/zinc/29/96/62/179299662.db2.gz SALJWSKQPNIOKK-NEPJUHHUSA-N 1 0 293.436 2.029 10 0 CEAERO Cc1cc(-c2nnc(CN3C[C@H](C)[NH2+]C[C@@H]3C)o2)c(C)o1 ZINC000086469576 179300036 /nfs/dbraw/zinc/30/00/36/179300036.db2.gz ZCVNYUBIGVHNPG-UWVGGRQHSA-N 1 0 290.367 2.129 10 0 CEAERO COC[C@](C)([NH3+])c1cscc1Br ZINC000086554046 179307105 /nfs/dbraw/zinc/30/71/05/179307105.db2.gz CVXKZANHHHGKRV-QMMMGPOBSA-N 1 0 250.161 2.331 10 0 CEAERO CC[NH2+]C[C@@](C)(O)c1cscc1Br ZINC000086558439 179307584 /nfs/dbraw/zinc/30/75/84/179307584.db2.gz MAHJUAKNKALZTH-SECBINFHSA-N 1 0 264.188 2.328 10 0 CEAERO CC[C@@]([NH3+])(CCS(=O)(=O)CC)c1ccccc1 ZINC000086567144 179307795 /nfs/dbraw/zinc/30/77/95/179307795.db2.gz QBPYLJOTFYLQEO-CYBMUJFWSA-N 1 0 255.383 2.075 10 0 CEAERO CCN1CCO[C@H](C[NH3+])[C@@H]1c1ccc(OC)c(Cl)c1 ZINC000086584966 179308955 /nfs/dbraw/zinc/30/89/55/179308955.db2.gz XGFDQAJQEYGARP-KGLIPLIRSA-N 1 0 284.787 2.069 10 0 CEAERO CC[C@@H](C)[NH2+][C@H](C(N)=O)c1ccc(OC)c(Cl)c1 ZINC000086595451 179310679 /nfs/dbraw/zinc/31/06/79/179310679.db2.gz NGFNCWVUZCLBDJ-PELKAZGASA-N 1 0 270.760 2.263 10 0 CEAERO COc1ccc([C@H]([NH2+]C2CCCC2)C(N)=O)cc1Cl ZINC000086595418 179311088 /nfs/dbraw/zinc/31/10/88/179311088.db2.gz SYQYQDDAOHHFLQ-ZDUSSCGKSA-N 1 0 282.771 2.407 10 0 CEAERO C[C@H]1C[NH+]=C(NCCOc2ccccc2)SC1 ZINC000086633102 179314985 /nfs/dbraw/zinc/31/49/85/179314985.db2.gz XZHNRCVQWBOPLN-NSHDSACASA-N 1 0 250.367 2.394 10 0 CEAERO Cn1c2ccc(C[NH3+])cc2nc1CCc1ccco1 ZINC000086641259 179315213 /nfs/dbraw/zinc/31/52/13/179315213.db2.gz QJGDLRYNEZAHAD-UHFFFAOYSA-N 1 0 255.321 2.410 10 0 CEAERO Clc1cnc(Cl)nc1OCC[NH+]1CCCC1 ZINC000086621737 179311766 /nfs/dbraw/zinc/31/17/66/179311766.db2.gz MLFGONSBQOPXGT-UHFFFAOYSA-N 1 0 262.140 2.258 10 0 CEAERO COC[C@@H]([NH2+]Cc1cn(C)nc1C(C)C)C(C)C ZINC000086696463 179320687 /nfs/dbraw/zinc/32/06/87/179320687.db2.gz WHSXPLKKQPWOHJ-CYBMUJFWSA-N 1 0 253.390 2.304 10 0 CEAERO C[NH2+][C@H](CSc1nc(C)c(C)c(C)n1)C1CC1 ZINC000086646492 179316499 /nfs/dbraw/zinc/31/64/99/179316499.db2.gz PTFFVOHDOBWSOF-GFCCVEGCSA-N 1 0 251.399 2.492 10 0 CEAERO Cc1nc(SCc2ccc(NN)[nH+]c2)nc(C)c1C ZINC000086645117 179316703 /nfs/dbraw/zinc/31/67/03/179316703.db2.gz QPKJZTZRQVWLIK-UHFFFAOYSA-N 1 0 275.381 2.375 10 0 CEAERO C[C@@H]([NH2+][C@H]1CCC[C@@H]1S(C)(=O)=O)c1cccs1 ZINC000086671759 179317954 /nfs/dbraw/zinc/31/79/54/179317954.db2.gz ZFUBYPUCXMRKFD-SCVCMEIPSA-N 1 0 273.423 2.364 10 0 CEAERO C[C@H](Cc1cccs1)[NH2+][C@H]1CCC[C@@H]1S(C)(=O)=O ZINC000086673116 179318041 /nfs/dbraw/zinc/31/80/41/179318041.db2.gz BOIIJPFJPGXUOR-WXHSDQCUSA-N 1 0 287.450 2.234 10 0 CEAERO CS(=O)(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc2c(s1)CCC2 ZINC000086675450 179318405 /nfs/dbraw/zinc/31/84/05/179318405.db2.gz RXQJKWGPJUUMAM-TZMCWYRMSA-N 1 0 299.461 2.292 10 0 CEAERO CC1(C[NH2+][C@@H]2CCC[C@@H]2S(C)(=O)=O)CCCC1 ZINC000086676100 179319384 /nfs/dbraw/zinc/31/93/84/179319384.db2.gz DUDSCSMIFCLELC-NEPJUHHUSA-N 1 0 259.415 2.122 10 0 CEAERO Cc1cc(Br)cnc1N(CCC[NH3+])C1CC1 ZINC000086706949 179322153 /nfs/dbraw/zinc/32/21/53/179322153.db2.gz BRQTUKUJYNXXQG-UHFFFAOYSA-N 1 0 284.201 2.470 10 0 CEAERO CC(C)[NH+]1CCC([N@@H+]2CCC[C@H](CC(=O)[O-])C2)CC1 ZINC000086757492 179323722 /nfs/dbraw/zinc/32/37/22/179323722.db2.gz FBXXZXZDNLMOPN-CYBMUJFWSA-N 1 0 268.401 2.046 10 0 CEAERO CCC[NH+]1CCC([NH+]2CCC(C)(C(=O)[O-])CC2)CC1 ZINC000086776658 179328936 /nfs/dbraw/zinc/32/89/36/179328936.db2.gz WZDOGPYOTPRHEU-UHFFFAOYSA-N 1 0 268.401 2.048 10 0 CEAERO CC(C)CCNC(=O)CO[C@]1(C[NH3+])CCC[C@H](C)C1 ZINC000086713092 179322600 /nfs/dbraw/zinc/32/26/00/179322600.db2.gz BKRSFYUOOQVMPO-DZGCQCFKSA-N 1 0 270.417 2.073 10 0 CEAERO CCC1CCC(C[NH3+])(OCC(=O)NC2CCCC2)CC1 ZINC000086713228 179322807 /nfs/dbraw/zinc/32/28/07/179322807.db2.gz SYUVNHAYQBBLFJ-UHFFFAOYSA-N 1 0 282.428 2.360 10 0 CEAERO CC[C@@H](C)NC(=O)COC1(C[NH3+])CCC(C(C)C)CC1 ZINC000086713489 179322821 /nfs/dbraw/zinc/32/28/21/179322821.db2.gz PRAHEWVBTYEAER-VQCLRJIVSA-N 1 0 284.444 2.461 10 0 CEAERO C[C@H](O[C@@]1(C[NH3+])CCC[C@@H](C)C1)C(=O)N1CCCCC1 ZINC000086712923 179322860 /nfs/dbraw/zinc/32/28/60/179322860.db2.gz QGEXMVDXXVDMQH-YCPHGPKFSA-N 1 0 282.428 2.312 10 0 CEAERO CN[C@@]1(c2nc3c(s2)CCC3)CCC[N@H+](C)CC1 ZINC000086833653 179349698 /nfs/dbraw/zinc/34/96/98/179349698.db2.gz XUOLJFUTPDYGKY-AWEZNQCLSA-N 1 0 265.426 2.162 10 0 CEAERO CC[C@@](C)([NH3+])C(=O)Nc1ccc(Br)c(C)n1 ZINC000086808397 179340669 /nfs/dbraw/zinc/34/06/69/179340669.db2.gz RUNXSVOPRZJCIY-LLVKDONJSA-N 1 0 286.173 2.218 10 0 CEAERO CC[C@H](C)[C@@H](N[C@@H]1CCC[N@@H+](C(C)C)CC1)C(=O)OC ZINC000086839576 179350954 /nfs/dbraw/zinc/35/09/54/179350954.db2.gz ZPMOGNOFJKWIKG-RRFJBIMHSA-N 1 0 284.444 2.427 10 0 CEAERO CCC[N@@H+]1CCC[C@@H](NCc2nccs2)CC1 ZINC000086842596 179353271 /nfs/dbraw/zinc/35/32/71/179353271.db2.gz BXEKPCMOJHTDKJ-GFCCVEGCSA-N 1 0 253.415 2.497 10 0 CEAERO COCCN[C@@]1(c2nccs2)CCC[N@@H+](C(C)C)CC1 ZINC000086851704 179359692 /nfs/dbraw/zinc/35/96/92/179359692.db2.gz KJXYCTHFUMGSEJ-HNNXBMFYSA-N 1 0 297.468 2.469 10 0 CEAERO CCC[N@@H+]1CCC[C@@](C(=O)[O-])([NH+]2CCCCC2)CC1 ZINC000086867819 179360347 /nfs/dbraw/zinc/36/03/47/179360347.db2.gz ULLUXYMCVACJAK-OAHLLOKOSA-N 1 0 268.401 2.192 10 0 CEAERO CCC[N@@H+]1CCC[C@](O)([C@H](C(=O)OC)C(C)C)CC1 ZINC000086868323 179360563 /nfs/dbraw/zinc/36/05/63/179360563.db2.gz IISQEFXWVOVFEP-DZGCQCFKSA-N 1 0 271.401 2.059 10 0 CEAERO CCOC(=O)C(C)(C)[C@]1(O)CCC[N@@H+](C(C)C)CC1 ZINC000086868377 179360630 /nfs/dbraw/zinc/36/06/30/179360630.db2.gz OHHXTMBSICXMMO-HNNXBMFYSA-N 1 0 271.401 2.201 10 0 CEAERO CC[NH2+][C@H](Cc1nc(CSC)no1)C(C)(C)C ZINC000104061851 185888683 /nfs/dbraw/zinc/88/86/83/185888683.db2.gz AIZBMZVZLQVARD-SECBINFHSA-N 1 0 257.403 2.499 10 0 CEAERO CCC[N@@H+]1CCC[C@@H]([NH+](CC)C[C@@H](C)C(=O)[O-])CC1 ZINC000086868945 179361821 /nfs/dbraw/zinc/36/18/21/179361821.db2.gz JWCQEESUGCCDKB-ZIAGYGMSSA-N 1 0 270.417 2.294 10 0 CEAERO [NH3+][C@@]1(Cc2ccn(C3CCCC3)n2)CCCOCC1 ZINC000086870438 179363612 /nfs/dbraw/zinc/36/36/12/179363612.db2.gz RESYGXCGCLAZAS-HNNXBMFYSA-N 1 0 263.385 2.439 10 0 CEAERO CN(Cc1cccc(F)c1)[C@@]1(C[NH3+])CCCOCC1 ZINC000086874878 179364564 /nfs/dbraw/zinc/36/45/64/179364564.db2.gz KHZNFAXJDUWXSJ-HNNXBMFYSA-N 1 0 266.360 2.156 10 0 CEAERO COc1ccc(CN(C)[C@]2(C[NH3+])CCCOCC2)cc1 ZINC000086875132 179364643 /nfs/dbraw/zinc/36/46/43/179364643.db2.gz NUCAEXLKHVRWQE-MRXNPFEDSA-N 1 0 278.396 2.025 10 0 CEAERO Cc1cc(Br)cc(N)c1OCC[NH+](C)C ZINC000086854189 179358878 /nfs/dbraw/zinc/35/88/78/179358878.db2.gz ADBFHEPCGXUYNX-UHFFFAOYSA-N 1 0 273.174 2.280 10 0 CEAERO CCC[N@@H+]1CCC[C@](O)(c2cc(C)cnc2N)CC1 ZINC000086852746 179359432 /nfs/dbraw/zinc/35/94/32/179359432.db2.gz FKTMVEJPPXTHRT-OAHLLOKOSA-N 1 0 263.385 2.056 10 0 CEAERO CCS(=O)(=O)CCC[C@]1([NH3+])CC[C@@H](C)C[C@@H]1C ZINC000086977521 179372737 /nfs/dbraw/zinc/37/27/37/179372737.db2.gz GKSKFHPJZWWAFU-AGIUHOORSA-N 1 0 261.431 2.355 10 0 CEAERO CCS(=O)(=O)CCC[C@H](Cc1cccc(F)c1)[NH2+]C ZINC000086978996 179372783 /nfs/dbraw/zinc/37/27/83/179372783.db2.gz VBGSCLVCEKWYTF-CQSZACIVSA-N 1 0 287.400 2.171 10 0 CEAERO CCS(=O)(=O)CCC[C@]1([NH3+])CCC[C@@H](C2CC2)C1 ZINC000086977480 179372789 /nfs/dbraw/zinc/37/27/89/179372789.db2.gz SJCKJLTYCZQGEZ-ZIAGYGMSSA-N 1 0 273.442 2.499 10 0 CEAERO CCS(=O)(=O)CCC[C@@H](C[NH2+]C(C)C)C(C)C ZINC000086980839 179372994 /nfs/dbraw/zinc/37/29/94/179372994.db2.gz GOFYJDYLIZTKHV-ZDUSSCGKSA-N 1 0 263.447 2.472 10 0 CEAERO CCS(=O)(=O)CCC[C@H](C[NH3+])Cc1cccc(C)c1 ZINC000086980687 179373272 /nfs/dbraw/zinc/37/32/72/179373272.db2.gz NNMQRMIDJLJCMP-HNNXBMFYSA-N 1 0 283.437 2.327 10 0 CEAERO CCN(CC)CC[NH2+][C@@]1(CO)CCC[C@@H](C)CC1 ZINC000086892962 179366139 /nfs/dbraw/zinc/36/61/39/179366139.db2.gz NKFOTTROGOCXQP-CABCVRRESA-N 1 0 256.434 2.249 10 0 CEAERO CCOC(=O)[C@@]1(N2CC[NH2+]CC2)CCC[C@@H](CC)CC1 ZINC000086915884 179366809 /nfs/dbraw/zinc/36/68/09/179366809.db2.gz RWOWLNLRKFRRRZ-GDBMZVCRSA-N 1 0 282.428 2.184 10 0 CEAERO CC[C@H]1CCC[C@@](C(=O)OC)(N2CCC[NH2+]CC2)CC1 ZINC000086915571 179366949 /nfs/dbraw/zinc/36/69/49/179366949.db2.gz LEZZCOSONMPSRY-GOEBONIOSA-N 1 0 282.428 2.184 10 0 CEAERO Cc1nc(C[C@H]([NH3+])[C@H]2CSCCS2)cs1 ZINC000086984257 179373857 /nfs/dbraw/zinc/37/38/57/179373857.db2.gz PGVZIMLPLJQMNB-VHSXEESVSA-N 1 0 260.453 2.170 10 0 CEAERO CCC[NH2+][C@H]1CCCc2nc(CCCOC)ncc21 ZINC000086971272 179370525 /nfs/dbraw/zinc/37/05/25/179370525.db2.gz XTYVQVBPTFAUDH-ZDUSSCGKSA-N 1 0 263.385 2.433 10 0 CEAERO COCCCc1nc(C)c(C[NH2+]CC(C)C)c(C)n1 ZINC000086971594 179370671 /nfs/dbraw/zinc/37/06/71/179370671.db2.gz PTAVRIRCHNKVLU-UHFFFAOYSA-N 1 0 265.401 2.418 10 0 CEAERO CCS(=O)(=O)CCC[NH2+]CCCc1ccccc1 ZINC000086973822 179371231 /nfs/dbraw/zinc/37/12/31/179371231.db2.gz QYTHRZJKBAJYJS-UHFFFAOYSA-N 1 0 269.410 2.034 10 0 CEAERO CCS(=O)(=O)CCCOc1ccc([C@H](C)[NH2+]C)cc1 ZINC000086972795 179371612 /nfs/dbraw/zinc/37/16/12/179371612.db2.gz YQDCZYLQHFGGRK-LBPRGKRZSA-N 1 0 285.409 2.171 10 0 CEAERO C[NH2+][C@H](Cc1nccs1)[C@H]1CSCCS1 ZINC000086984906 179373944 /nfs/dbraw/zinc/37/39/44/179373944.db2.gz JOAKLESPQUYJOB-RKDXNWHRSA-N 1 0 260.453 2.122 10 0 CEAERO CC[C@@](C)(O)C[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000087011777 179379139 /nfs/dbraw/zinc/37/91/39/179379139.db2.gz FYJHDMIORWXGCK-HZPDHXFCSA-N 1 0 262.397 2.012 10 0 CEAERO Cc1cc([C@@H]([NH3+])[C@@H]2COCCO2)sc1Br ZINC000087019098 179381363 /nfs/dbraw/zinc/38/13/63/179381363.db2.gz PNSDEEJAXHEIHJ-CBAPKCEASA-N 1 0 292.198 2.234 10 0 CEAERO CCn1nccc1[C@@H]([NH2+]C)[C@@H]1CSCCS1 ZINC000086984812 179374212 /nfs/dbraw/zinc/37/42/12/179374212.db2.gz USRAECFTUZKURR-WDEREUQCSA-N 1 0 257.428 2.012 10 0 CEAERO CC[NH2+][C@@H](Cc1cccs1)[C@H]1CSCCO1 ZINC000086989164 179374580 /nfs/dbraw/zinc/37/45/80/179374580.db2.gz NOOQXKXYXJIJQY-NWDGAFQWSA-N 1 0 257.424 2.401 10 0 CEAERO CC[C@@H]1CO[C@H](C)CN1[C@@H](C[NH3+])c1ccc(OC)c(F)c1 ZINC000086991773 179375656 /nfs/dbraw/zinc/37/56/56/179375656.db2.gz HFHIYWXZPSLJEX-KYOSRNDESA-N 1 0 296.386 2.333 10 0 CEAERO COc1ccc([C@H]2[C@H]([NH3+])CCCCN2C)cc1F ZINC000086995353 179375881 /nfs/dbraw/zinc/37/58/81/179375881.db2.gz RDKGYDONTTYWES-OCCSQVGLSA-N 1 0 252.333 2.318 10 0 CEAERO COc1ccc(-c2nc3c(c(NN)[nH+]2)CCC3)cc1F ZINC000086994172 179376045 /nfs/dbraw/zinc/37/60/45/179376045.db2.gz XUNYRPFEHBCKCH-UHFFFAOYSA-N 1 0 274.299 2.066 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1c(F)cc(F)cc1F ZINC000086997883 179377260 /nfs/dbraw/zinc/37/72/60/179377260.db2.gz IMURKDBCPWDMTJ-MNOVXSKESA-N 1 0 272.270 2.104 10 0 CEAERO CC[C@H]([NH3+])Cc1noc(-c2c(F)cc(F)cc2F)n1 ZINC000086998696 179377806 /nfs/dbraw/zinc/37/78/06/179377806.db2.gz YUQNGYGPYFZQBU-ZETCQYMHSA-N 1 0 271.242 2.434 10 0 CEAERO CC1(C)CCC(O)(C[NH2+][C@H]2CN3CCC2CC3)CC1 ZINC000087048159 179388377 /nfs/dbraw/zinc/38/83/77/179388377.db2.gz OVDCKZRGVJBUQO-AWEZNQCLSA-N 1 0 266.429 2.002 10 0 CEAERO CCOc1cccc(N(C)CC[NH2+]CC(C)C)n1 ZINC000104117796 185898593 /nfs/dbraw/zinc/89/85/93/185898593.db2.gz KNJRUIUPIUWHHH-UHFFFAOYSA-N 1 0 251.374 2.162 10 0 CEAERO [NH3+]C[C@H]1CC[C@H](COCc2cccc(Cl)c2)O1 ZINC000087095772 179394420 /nfs/dbraw/zinc/39/44/20/179394420.db2.gz KGVGOOGBXLWUOD-CHWSQXEVSA-N 1 0 255.745 2.363 10 0 CEAERO CCSCc1noc(-c2ccc(CC[NH3+])cc2)n1 ZINC000087105226 179394861 /nfs/dbraw/zinc/39/48/61/179394861.db2.gz MDSKHBFWKIUCHI-UHFFFAOYSA-N 1 0 263.366 2.491 10 0 CEAERO CCCSC[C@H](Cc1ccnc(N)c1)[NH2+]CC ZINC000087107686 179395318 /nfs/dbraw/zinc/39/53/18/179395318.db2.gz ICMRDDQBCWEYJY-LBPRGKRZSA-N 1 0 253.415 2.328 10 0 CEAERO C[C@@H]1CCC[C@](O)(C[NH2+]Cc2cn3ccccc3n2)C1 ZINC000087064167 179390117 /nfs/dbraw/zinc/39/01/17/179390117.db2.gz IWKRDMKHFXETCJ-CZUORRHYSA-N 1 0 273.380 2.365 10 0 CEAERO CCOC(=O)[C@@H](C)C[NH2+]CC1(O)CCC(CC)CC1 ZINC000087066062 179390451 /nfs/dbraw/zinc/39/04/51/179390451.db2.gz LXJLFQHTPIELEK-OPFPJEHXSA-N 1 0 271.401 2.107 10 0 CEAERO CCC1CCC(O)(C[NH2+]Cc2ncc(Cl)n2C)CC1 ZINC000087066241 179390637 /nfs/dbraw/zinc/39/06/37/179390637.db2.gz RCVRWRXPTWUITG-UHFFFAOYSA-N 1 0 285.819 2.494 10 0 CEAERO CCC1CCC(O)(C[NH2+]C[C@H](O)COC(C)(C)C)CC1 ZINC000087066343 179390758 /nfs/dbraw/zinc/39/07/58/179390758.db2.gz GYDNQXPQBDFXJJ-BBBYJDLNSA-N 1 0 287.444 2.083 10 0 CEAERO CC(C)[C@H](CC[NH3+])CCC(=O)NC[C@]1(O)CCC[C@@H](C)C1 ZINC000087069231 179391268 /nfs/dbraw/zinc/39/12/68/179391268.db2.gz KJVINTYKRJQUEJ-VYDXJSESSA-N 1 0 298.471 2.445 10 0 CEAERO CCC1(C(=O)NCC2(O)CCC(C)(C)CC2)CC[NH2+]CC1 ZINC000087068989 179391364 /nfs/dbraw/zinc/39/13/64/179391364.db2.gz VRWIIWVABDMKII-UHFFFAOYSA-N 1 0 296.455 2.214 10 0 CEAERO CCC1CCC(O)(CNC(=O)[C@@]2(CC)CCC[NH2+]C2)CC1 ZINC000087070219 179391423 /nfs/dbraw/zinc/39/14/23/179391423.db2.gz NFFVYWORNDKRRI-WIHSUSGWSA-N 1 0 296.455 2.214 10 0 CEAERO CC(C)[NH2+][C@@H]1CCCN(CC2(O)CCCCCC2)C1=O ZINC000087089782 179393469 /nfs/dbraw/zinc/39/34/69/179393469.db2.gz CCWPRIBGRZRLJG-CQSZACIVSA-N 1 0 282.428 2.061 10 0 CEAERO CC[NH2+][C@@H](CCCS(C)(=O)=O)CSC(C)(C)C ZINC000087118284 179395646 /nfs/dbraw/zinc/39/56/46/179395646.db2.gz QCTSJZPFXWMKIY-NSHDSACASA-N 1 0 281.487 2.321 10 0 CEAERO CC[C@@H](C)SC[C@H](CCCS(=O)(=O)CC)[NH2+]C ZINC000087135539 179396934 /nfs/dbraw/zinc/39/69/34/179396934.db2.gz OCEJSMCOMLOGJI-NEPJUHHUSA-N 1 0 281.487 2.321 10 0 CEAERO C[NH2+]CC(=O)Nc1ccc(Cl)c(Br)c1 ZINC000087153081 179397768 /nfs/dbraw/zinc/39/77/68/179397768.db2.gz RUONJOLZCBYOAM-UHFFFAOYSA-N 1 0 277.549 2.260 10 0 CEAERO C[N@@H+]1CC[C@@](O)(Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000087166274 179398572 /nfs/dbraw/zinc/39/85/72/179398572.db2.gz LLIWIBBMSPJDPS-GFCCVEGCSA-N 1 0 275.270 2.194 10 0 CEAERO CC[N@@H+]1CCC[C@@](O)(Cc2ncc(C)c(OC)c2C)CC1 ZINC000087186357 179399932 /nfs/dbraw/zinc/39/99/32/179399932.db2.gz RYYMXRRADANDED-KRWDZBQOSA-N 1 0 292.423 2.486 10 0 CEAERO CCN(C(=O)C[C@H]1CCCO1)c1ccc(C[NH3+])cc1 ZINC000087204278 179401052 /nfs/dbraw/zinc/40/10/52/179401052.db2.gz DTNZWVXNUMBYSW-CQSZACIVSA-N 1 0 262.353 2.067 10 0 CEAERO C[NH2+][C@H](C)CCc1nc(CSCC(C)C)no1 ZINC000087126297 179396036 /nfs/dbraw/zinc/39/60/36/179396036.db2.gz WEPLYIWHVZDYQK-SNVBAGLBSA-N 1 0 257.403 2.499 10 0 CEAERO CCS(=O)(=O)CCC[C@H](CSCC(C)C)[NH2+]C ZINC000087122895 179396258 /nfs/dbraw/zinc/39/62/58/179396258.db2.gz CLTANWLWXRZYAI-GFCCVEGCSA-N 1 0 281.487 2.179 10 0 CEAERO C[NH2+][C@@H](CSCC(C)C)Cc1cccnc1N ZINC000087122788 179396305 /nfs/dbraw/zinc/39/63/05/179396305.db2.gz HGLNYUMVWPKPOF-GFCCVEGCSA-N 1 0 253.415 2.184 10 0 CEAERO CC[C@H](CC[NH3+])CNc1ncc(Br)cn1 ZINC000087374535 179417284 /nfs/dbraw/zinc/41/72/84/179417284.db2.gz PAFMHLPFOKXXBE-MRVPVSSYSA-N 1 0 273.178 2.026 10 0 CEAERO CC(C)[C@@H](C[NH3+])NC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000087402925 179419570 /nfs/dbraw/zinc/41/95/70/179419570.db2.gz OPPATSPISITKLP-GFCCVEGCSA-N 1 0 288.313 2.347 10 0 CEAERO Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C[NH3+])C(C)C)c1C ZINC000087404616 179420072 /nfs/dbraw/zinc/42/00/72/179420072.db2.gz XUTVQYSWFFADAD-AWEZNQCLSA-N 1 0 298.452 2.182 10 0 CEAERO CC(C)([NH3+])C(C)(C)C(=O)Nc1cccc2n[nH]cc21 ZINC000087627852 179459310 /nfs/dbraw/zinc/45/93/10/179459310.db2.gz ZTAAETBZXRPBSU-UHFFFAOYSA-N 1 0 260.341 2.265 10 0 CEAERO C[C@H]1CCC[C@H](C[NH3+])N1c1nc(C2CC2)ns1 ZINC000087642756 179462245 /nfs/dbraw/zinc/46/22/45/179462245.db2.gz FTTLDJMDUWIKOO-WCBMZHEXSA-N 1 0 252.387 2.122 10 0 CEAERO [NH3+]C[C@@H]1Cc2ccccc2CN1c1nc(C2CC2)ns1 ZINC000087643640 179463099 /nfs/dbraw/zinc/46/30/99/179463099.db2.gz BKJVSKTUQXQUJC-ZDUSSCGKSA-N 1 0 286.404 2.306 10 0 CEAERO CN(C[C@@H]1CCCCO1)C(=O)CCC(C)(C)CC[NH3+] ZINC000087699890 179472984 /nfs/dbraw/zinc/47/29/84/179472984.db2.gz RHAOAXYTHXMKGE-ZDUSSCGKSA-N 1 0 270.417 2.169 10 0 CEAERO CCO[C@@H]1CCCN(C(=O)[C@@H](C)CCC[C@@H](C)[NH3+])C1 ZINC000087700296 179472997 /nfs/dbraw/zinc/47/29/97/179472997.db2.gz OGFAPIJMJLGFAZ-BFHYXJOUSA-N 1 0 270.417 2.168 10 0 CEAERO C[C@@H]([NH3+])CCC[C@@H](C)C(=O)NC1(CO)CCC(C)CC1 ZINC000087701562 179473292 /nfs/dbraw/zinc/47/32/92/179473292.db2.gz KIUMVPQXKGZUTJ-MYMJJRTCSA-N 1 0 284.444 2.197 10 0 CEAERO CCC[NH2+]CCOCCc1ccc2c(c1)OCCO2 ZINC000087730503 179478975 /nfs/dbraw/zinc/47/89/75/179478975.db2.gz PSJVFZUBKFYGIW-UHFFFAOYSA-N 1 0 265.353 2.017 10 0 CEAERO COc1ccc(CCOCC[NH2+]C2CC2)c(OC)c1 ZINC000087730676 179479058 /nfs/dbraw/zinc/47/90/58/179479058.db2.gz ZWHIGBMCBOHVRI-UHFFFAOYSA-N 1 0 265.353 2.015 10 0 CEAERO COc1cc(F)c(CCOCC[NH2+]C2CC2)c(F)c1 ZINC000087730937 179479092 /nfs/dbraw/zinc/47/90/92/179479092.db2.gz IXLCROKSJXDBGM-UHFFFAOYSA-N 1 0 271.307 2.285 10 0 CEAERO CC[NH2+]CCOCCc1cc(OC)c(OC)cc1F ZINC000087731008 179479343 /nfs/dbraw/zinc/47/93/43/179479343.db2.gz FLDZGBCJCXITMF-UHFFFAOYSA-N 1 0 271.332 2.012 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)NCc1ccc2cc(OC)ccc2c1 ZINC000087532103 179441912 /nfs/dbraw/zinc/44/19/12/179441912.db2.gz ADPBFRNVPYXUEX-ZDUSSCGKSA-N 1 0 286.375 2.450 10 0 CEAERO CCC[NH2+]C1(CC(N)=O)C2CC3CC(C2)CC1C3 ZINC000087551594 179444888 /nfs/dbraw/zinc/44/48/88/179444888.db2.gz YJYAMTPANRWILK-UHFFFAOYSA-N 1 0 250.386 2.056 10 0 CEAERO CC(C)(CCSc1nnc2n1CCCCC2)C(N)=[NH2+] ZINC000087594626 179451339 /nfs/dbraw/zinc/45/13/39/179451339.db2.gz HHRYARWEERMROX-UHFFFAOYSA-N 1 0 281.429 2.449 10 0 CEAERO [NH3+]Cc1ccnnc1Oc1ccccc1Br ZINC000087614238 179454735 /nfs/dbraw/zinc/45/47/35/179454735.db2.gz YCUHJHRRNCGKTL-UHFFFAOYSA-N 1 0 280.125 2.490 10 0 CEAERO CC(C)c1nc(NC[C@H]2CCCS2)cc(NN)[nH+]1 ZINC000087909952 179517438 /nfs/dbraw/zinc/51/74/38/179517438.db2.gz CTAAIWSZQRYHMJ-SECBINFHSA-N 1 0 267.402 2.193 10 0 CEAERO CCOC(=O)N1CC[NH2+]C[C@H]1c1cccc2cccnc21 ZINC000616636458 348541962 /nfs/dbraw/zinc/54/19/62/348541962.db2.gz ANTQKILEYRIJAB-AWEZNQCLSA-N 1 0 285.347 2.338 10 0 CEAERO CC(C)[N@@H+]1CCOC[C@@H](c2ccccc2CCO)C1 ZINC000616660755 348551962 /nfs/dbraw/zinc/55/19/62/348551962.db2.gz OJKVTUBJVASBBO-HNNXBMFYSA-N 1 0 263.381 2.046 10 0 CEAERO [NH3+]C[C@@H](Nc1ccccc1Br)c1ccncn1 ZINC000087914579 179521760 /nfs/dbraw/zinc/52/17/60/179521760.db2.gz UEXDAPVIMBJESB-GFCCVEGCSA-N 1 0 293.168 2.351 10 0 CEAERO CC[N@@H+]1CCCO[C@H](c2ccc3nnccc3c2)C1 ZINC000616648834 348547235 /nfs/dbraw/zinc/54/72/35/348547235.db2.gz DTBHAVKLZGEIGU-HNNXBMFYSA-N 1 0 257.337 2.413 10 0 CEAERO CC(C)[N@@H+]1CCCO[C@@H](c2ccccc2CCO)C1 ZINC000616652748 348549059 /nfs/dbraw/zinc/54/90/59/348549059.db2.gz JMWWZPCWEWGWPM-MRXNPFEDSA-N 1 0 263.381 2.393 10 0 CEAERO CC[C@H](C)CN(C)c1nc[nH+]c(NN)c1C(C)C ZINC000087852804 179500937 /nfs/dbraw/zinc/50/09/37/179500937.db2.gz HZRALSSPPWOYPK-JTQLQIEISA-N 1 0 251.378 2.368 10 0 CEAERO NNc1nc(NCCC2CCCCC2)c(F)c[nH+]1 ZINC000087854916 179501051 /nfs/dbraw/zinc/50/10/51/179501051.db2.gz KUQGYJFQGSSNBP-UHFFFAOYSA-N 1 0 253.325 2.284 10 0 CEAERO [NH3+][C@H](C[C@@H]1CCCc2ccccc21)[C@@H]1COCCO1 ZINC000087857262 179502296 /nfs/dbraw/zinc/50/22/96/179502296.db2.gz GDXXVYZDPNWHDL-IMJJTQAJSA-N 1 0 261.365 2.239 10 0 CEAERO [NH3+][C@H]1CN(C(=O)CC2CC2)CC[C@@H]1c1cccc(F)c1 ZINC000616570031 348523695 /nfs/dbraw/zinc/52/36/95/348523695.db2.gz LLKGXOLQWNTFPA-CABCVRRESA-N 1 0 276.355 2.269 10 0 CEAERO Cc1ccc(Br)c2c1NC(=O)[C@H]2CC[NH3+] ZINC000616569482 348523715 /nfs/dbraw/zinc/52/37/15/348523715.db2.gz LRLUPDWAJOYNKF-ZETCQYMHSA-N 1 0 269.142 2.142 10 0 CEAERO CC[C@H](c1nc(C)cc(C(F)F)n1)N1CC[NH2+]CC1 ZINC000616575733 348524856 /nfs/dbraw/zinc/52/48/56/348524856.db2.gz CJWDECDGDYUEHK-LLVKDONJSA-N 1 0 270.327 2.079 10 0 CEAERO c1cc(Nc2ccncn2)nc(C2CC[NH2+]CC2)c1 ZINC000616574907 348525129 /nfs/dbraw/zinc/52/51/29/348525129.db2.gz AWBSCZFXGBDKDD-UHFFFAOYSA-N 1 0 255.325 2.082 10 0 CEAERO CCC[NH2+][C@@H]1CCCc2c1cnn2[C@@H]1CCC[C@@H]1O ZINC000087862418 179504585 /nfs/dbraw/zinc/50/45/85/179504585.db2.gz UGRFDZYJUXMWDD-YUELXQCFSA-N 1 0 263.385 2.346 10 0 CEAERO C[C@H]1CCCC[C@@H]1N(C)c1nc(NN)[nH+]cc1Cl ZINC000087866857 179505542 /nfs/dbraw/zinc/50/55/42/179505542.db2.gz VTOZVAYKPDKYIE-WPRPVWTQSA-N 1 0 269.780 2.431 10 0 CEAERO Cc1cc(N(C)[C@H](C)c2cccs2)nc(NN)[nH+]1 ZINC000087866190 179505646 /nfs/dbraw/zinc/50/56/46/179505646.db2.gz ZRGDBJSDPDQGSF-SECBINFHSA-N 1 0 263.370 2.330 10 0 CEAERO [NH3+]CCN1CCOCC[C@H]1c1cccc(Cl)c1 ZINC000616599276 348530449 /nfs/dbraw/zinc/53/04/49/348530449.db2.gz YLUYJPGZNKQMDE-ZDUSSCGKSA-N 1 0 254.761 2.062 10 0 CEAERO Nc1cccc([C@@H]2C[NH2+]CCN2Cc2ccccc2)c1 ZINC000616604711 348531807 /nfs/dbraw/zinc/53/18/07/348531807.db2.gz MQKLCNZIIODBLL-KRWDZBQOSA-N 1 0 267.376 2.415 10 0 CEAERO Cc1cc(CNc2nc(NN)[nH+]cc2F)sc1C ZINC000087886260 179511015 /nfs/dbraw/zinc/51/10/15/179511015.db2.gz YIXGOJOKJUKARK-UHFFFAOYSA-N 1 0 267.333 2.192 10 0 CEAERO CCOCOc1ccc(C[C@H](C)[NH3+])cc1OCC ZINC000087888896 179512923 /nfs/dbraw/zinc/51/29/23/179512923.db2.gz BQLYILUHGBRMRI-NSHDSACASA-N 1 0 253.342 2.348 10 0 CEAERO OCC[N@@H+]1CCC[C@H](c2nccc3ccccc32)C1 ZINC000616617663 348535686 /nfs/dbraw/zinc/53/56/86/348535686.db2.gz BQGPSEOIOSPOMS-AWEZNQCLSA-N 1 0 256.349 2.407 10 0 CEAERO C[NH2+][C@@H](Cc1cnn(C)c1)[C@@H]1CCc2ccccc2C1 ZINC000088033567 179537085 /nfs/dbraw/zinc/53/70/85/179537085.db2.gz QETQDEVRRRJKQA-SJORKVTESA-N 1 0 269.392 2.356 10 0 CEAERO C[C@@H](C[NH3+])[S@](=O)Cc1ccc(F)c(Br)c1 ZINC000088068284 179544049 /nfs/dbraw/zinc/54/40/49/179544049.db2.gz VTZIFTFPTPXNQY-ZIDLFYJRSA-N 1 0 294.189 2.184 10 0 CEAERO C[C@H](CC[NH3+])[S@](=O)Cc1ccc(Cl)s1 ZINC000088087485 179546418 /nfs/dbraw/zinc/54/64/18/179546418.db2.gz GLNUDAXENCLRFP-UOWDBTKRSA-N 1 0 251.804 2.388 10 0 CEAERO CC[C@H](C)NC(=O)CC[NH2+]CCc1ccc(OC)cc1 ZINC000088101351 179547816 /nfs/dbraw/zinc/54/78/16/179547816.db2.gz MAZKNKVBEKVSTI-ZDUSSCGKSA-N 1 0 278.396 2.132 10 0 CEAERO [NH3+]C1(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)CC1 ZINC000088130365 179553676 /nfs/dbraw/zinc/55/36/76/179553676.db2.gz FXOVPYMDWZNPBE-UHFFFAOYSA-N 1 0 282.746 2.461 10 0 CEAERO COc1ccc(OC)c([C@@H](C)N2CC[NH2+]CC2(C)C)c1 ZINC000088138484 179555535 /nfs/dbraw/zinc/55/55/35/179555535.db2.gz CINCSNXTVKIBBZ-GFCCVEGCSA-N 1 0 278.396 2.449 10 0 CEAERO C[NH2+][C@H]1CCCc2c(OC[C@@H](O)COC(C)C)cccc21 ZINC000088151647 179557877 /nfs/dbraw/zinc/55/78/77/179557877.db2.gz RMKIIYBIWUIYEN-BBRMVZONSA-N 1 0 293.407 2.448 10 0 CEAERO CC[NH2+][C@@H]1CCCc2c(O[C@@H](CC)C(N)=O)cccc21 ZINC000088152220 179557880 /nfs/dbraw/zinc/55/78/80/179557880.db2.gz JUBOVHXGWLUQMG-KGLIPLIRSA-N 1 0 276.380 2.316 10 0 CEAERO COc1ccc([C@@H](C[NH3+])C[C@@H](C)O)cc1Br ZINC000088187278 179560981 /nfs/dbraw/zinc/56/09/81/179560981.db2.gz NGPSMKWDCAPRGQ-PSASIEDQSA-N 1 0 288.185 2.271 10 0 CEAERO CC[N@@H+]1CCOC[C@@H](c2cc3ccccc3nn2)C1 ZINC000616662192 348552969 /nfs/dbraw/zinc/55/29/69/348552969.db2.gz XSFQZXAXKSNLKI-ZDUSSCGKSA-N 1 0 257.337 2.066 10 0 CEAERO COc1ccccc1C[C@H](C)N(C)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000088201869 179565150 /nfs/dbraw/zinc/56/51/50/179565150.db2.gz PIOBLPGPXISUAW-CFVMTHIKSA-N 1 0 290.407 2.212 10 0 CEAERO C[C@@H]1CC[C@@H](N2CCC[C@H](C(F)(F)F)C2)C[NH2+]1 ZINC000088421723 179597621 /nfs/dbraw/zinc/59/76/21/179597621.db2.gz MXZRYSJPOHKGJH-OUAUKWLOSA-N 1 0 250.308 2.401 10 0 CEAERO O=C(C[C@H]1CCCC[NH2+]1)N1CCC[C@H](C(F)(F)F)C1 ZINC000088431582 179598814 /nfs/dbraw/zinc/59/88/14/179598814.db2.gz MYVLCUVGQIOCCL-WDEREUQCSA-N 1 0 278.318 2.320 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C(=O)NCCC2CCCCC2)C1 ZINC000088450046 179605848 /nfs/dbraw/zinc/60/58/48/179605848.db2.gz BIGDYKGJTRXFTA-TZMCWYRMSA-N 1 0 252.402 2.319 10 0 CEAERO COCc1cccc(NC(=O)[C@@H]2C[NH2+]C[C@H](C)C2)c1 ZINC000088450326 179606123 /nfs/dbraw/zinc/60/61/23/179606123.db2.gz KAJUYMAWPRAADW-YPMHNXCESA-N 1 0 262.353 2.017 10 0 CEAERO Cc1cc(NC(=O)[C@@H]2C[NH2+]C[C@H](C)C2)ccc1F ZINC000088450998 179606783 /nfs/dbraw/zinc/60/67/83/179606783.db2.gz CFAWHAAKUWUDTN-KOLCDFICSA-N 1 0 250.317 2.318 10 0 CEAERO CC[C@@H]([NH3+])Cc1c(C)nn(C)c1Oc1c(C)nn(C)c1C ZINC000088454086 179607134 /nfs/dbraw/zinc/60/71/34/179607134.db2.gz FQINMEUFNOZJQZ-GFCCVEGCSA-N 1 0 291.399 2.151 10 0 CEAERO CCCCCNC(=O)[C@H](C)N1CC[NH2+]CC12CCCCC2 ZINC000088396277 179590892 /nfs/dbraw/zinc/59/08/92/179590892.db2.gz LFEHLVCNGBLFDX-HNNXBMFYSA-N 1 0 295.471 2.289 10 0 CEAERO COCc1ccccc1[C@@H]1[C@@H](C[NH2+]C(C)C)OCCN1C ZINC000088557040 179624070 /nfs/dbraw/zinc/62/40/70/179624070.db2.gz HVWAWJNMDIOZKN-IAGOWNOFSA-N 1 0 292.423 2.203 10 0 CEAERO CCC[NH2+][C@@H]1CCCCC[C@@H]1Cc1ncnn1C ZINC000088580642 179628604 /nfs/dbraw/zinc/62/86/04/179628604.db2.gz LBNBAYMOKXKNMT-CHWSQXEVSA-N 1 0 250.390 2.306 10 0 CEAERO CC[NH2+][C@H](C)[C@H]1CCCCN1Cc1ncnn1CC(C)C ZINC000088584850 179630546 /nfs/dbraw/zinc/63/05/46/179630546.db2.gz DRVNORGBNBMWNQ-HUUCEWRRSA-N 1 0 293.459 2.287 10 0 CEAERO CCCn1ncnc1COc1ccc([C@H](C)[NH3+])cc1 ZINC000088585312 179630896 /nfs/dbraw/zinc/63/08/96/179630896.db2.gz KFQKIMPTSXUUDK-NSHDSACASA-N 1 0 260.341 2.287 10 0 CEAERO CCC[NH2+]Cc1c(C)nn(Cc2ncnn2C(C)C)c1C ZINC000088603007 179635057 /nfs/dbraw/zinc/63/50/57/179635057.db2.gz QNFRFHMZWOQBRA-UHFFFAOYSA-N 1 0 290.415 2.220 10 0 CEAERO CC(C)Cn1ncnc1C[C@](C)([NH3+])c1ccccc1F ZINC000088606955 179636439 /nfs/dbraw/zinc/63/64/39/179636439.db2.gz HCWOYOZPQCFESU-HNNXBMFYSA-N 1 0 276.359 2.490 10 0 CEAERO C[NH2+][C@H](Cc1ncnn1CC(C)C)Cc1ccc(F)cc1 ZINC000088610550 179637842 /nfs/dbraw/zinc/63/78/42/179637842.db2.gz AFFJSDUYBIPCHT-HNNXBMFYSA-N 1 0 290.386 2.446 10 0 CEAERO CC(C)n1ncnc1C[C@H]([NH3+])Cc1ccc(F)cc1 ZINC000088610179 179637994 /nfs/dbraw/zinc/63/79/94/179637994.db2.gz ORDYIARFWARWNL-CYBMUJFWSA-N 1 0 262.332 2.111 10 0 CEAERO CCCn1ncnc1CN1CC(C)(C)[NH2+]C[C@]1(C)C1CC1 ZINC000088625309 179642434 /nfs/dbraw/zinc/64/24/34/179642434.db2.gz SWLTWBUMSMIHQA-MRXNPFEDSA-N 1 0 291.443 2.041 10 0 CEAERO O[C@@H](c1cn2ccccc2n1)[C@@H]1[NH2+]Cc2ccccc21 ZINC000088627799 179643839 /nfs/dbraw/zinc/64/38/39/179643839.db2.gz VEDBXIUAKZZVCC-CVEARBPZSA-N 1 0 265.316 2.212 10 0 CEAERO CC[NH+](CC)CCC[C@@H](C)Nc1[nH+]ccc(C(=O)[O-])c1N ZINC000088797294 179673684 /nfs/dbraw/zinc/67/36/84/179673684.db2.gz APUGIFYKBFITNI-LLVKDONJSA-N 1 0 294.399 2.284 10 0 CEAERO [NH3+]CCCc1nnc(-c2ccc(F)cc2F)s1 ZINC000088809284 179675826 /nfs/dbraw/zinc/67/58/26/179675826.db2.gz HLLDWTAXQVJXTI-UHFFFAOYSA-N 1 0 255.293 2.375 10 0 CEAERO O[C@H](C[NH2+][C@@H]1CC=CCC1)c1ccc2c(c1)OCCO2 ZINC000088748752 179664072 /nfs/dbraw/zinc/66/40/72/179664072.db2.gz OTHHSUREDXSEQH-ZIAGYGMSSA-N 1 0 275.348 2.190 10 0 CEAERO CC(C)CN(C(C)C)S(=O)(=O)CCCC[NH2+]C(C)C ZINC000089005511 179690966 /nfs/dbraw/zinc/69/09/66/179690966.db2.gz ARJCNXOLWRWZQF-UHFFFAOYSA-N 1 0 292.489 2.461 10 0 CEAERO c1cc2c(cn1)nc(CCOC1CC[NH2+]CC1)n2C1CC1 ZINC000088866212 179684746 /nfs/dbraw/zinc/68/47/46/179684746.db2.gz ZIFLEYJDJGUZOD-UHFFFAOYSA-N 1 0 286.379 2.077 10 0 CEAERO CCCn1c(COC2CC[NH2+]CC2)nc2cnccc21 ZINC000088865236 179684771 /nfs/dbraw/zinc/68/47/71/179684771.db2.gz HAONUMSNRLMHJT-UHFFFAOYSA-N 1 0 274.368 2.110 10 0 CEAERO CC(C)(C)n1c(C[C@H]2CCC[NH2+]2)nc2cnccc21 ZINC000088866585 179685237 /nfs/dbraw/zinc/68/52/37/179685237.db2.gz NDPLRYTZWKKHLK-LLVKDONJSA-N 1 0 258.369 2.481 10 0 CEAERO NC(=[NH2+])Cc1ccc(OCCOC(F)(F)F)cc1 ZINC000089052110 179693919 /nfs/dbraw/zinc/69/39/19/179693919.db2.gz CIBVYHDFFDTGOL-UHFFFAOYSA-N 1 0 262.231 2.080 10 0 CEAERO CC(C)C[NH2+]Cc1ccn(-c2ccc3c(c2)OCO3)n1 ZINC000089058840 179695750 /nfs/dbraw/zinc/69/57/50/179695750.db2.gz NFZKOBAXRQIKRQ-UHFFFAOYSA-N 1 0 273.336 2.347 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1c[nH]c2ccccc12 ZINC000089107018 179703149 /nfs/dbraw/zinc/70/31/49/179703149.db2.gz VSFFUNBXFCIMPQ-RISCZKNCSA-N 1 0 271.364 2.415 10 0 CEAERO CN(C(=O)c1c[nH]c2ccccc12)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089110644 179705225 /nfs/dbraw/zinc/70/52/25/179705225.db2.gz XJLRQTIRCBWEOJ-XHDPSFHLSA-N 1 0 271.364 2.367 10 0 CEAERO CN(C(=O)c1cccc2cccnc21)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089109970 179705310 /nfs/dbraw/zinc/70/53/10/179705310.db2.gz NXBQSSGTRJDZJC-UKRRQHHQSA-N 1 0 283.375 2.434 10 0 CEAERO CN(C(=O)c1ccsc1)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089131998 179713792 /nfs/dbraw/zinc/71/37/92/179713792.db2.gz YTHUBVGVXBEUNX-PWSUYJOCSA-N 1 0 252.383 2.338 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@H]1Nc1ccc(-n2ccnc2)nc1 ZINC000089142651 179720609 /nfs/dbraw/zinc/72/06/09/179720609.db2.gz UNKAEOVRRBUZQJ-TZMCWYRMSA-N 1 0 271.368 2.197 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1Nc1ccc(-n2cncn2)cc1 ZINC000089144790 179722578 /nfs/dbraw/zinc/72/25/78/179722578.db2.gz XKNCLXGYMJSNOS-WFASDCNBSA-N 1 0 271.368 2.197 10 0 CEAERO CCN(C(=O)Cc1ccc(F)cc1)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089113898 179707874 /nfs/dbraw/zinc/70/78/74/179707874.db2.gz OCXGPSMIENEXEM-DZGCQCFKSA-N 1 0 278.371 2.344 10 0 CEAERO CCOC(=O)c1ccccc1N[C@H]1CCC[C@@H]1C[NH3+] ZINC000089148087 179724006 /nfs/dbraw/zinc/72/40/06/179724006.db2.gz WISIHJLGLVQQGK-YPMHNXCESA-N 1 0 262.353 2.403 10 0 CEAERO CCn1nc(CO[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000089175127 179740493 /nfs/dbraw/zinc/74/04/93/179740493.db2.gz LJZWIAYYNMZAGQ-GFCCVEGCSA-N 1 0 259.353 2.325 10 0 CEAERO CCn1nc(C[C@H]([NH3+])[C@@H]2CCCO2)c2ccccc21 ZINC000089178091 179742796 /nfs/dbraw/zinc/74/27/96/179742796.db2.gz RMGHATVLPPBSBB-WFASDCNBSA-N 1 0 259.353 2.105 10 0 CEAERO Cc1nn(Cc2nn(C)c3ccccc23)c(C)c1[C@@H](C)[NH3+] ZINC000089179174 179743152 /nfs/dbraw/zinc/74/31/52/179743152.db2.gz HISFMOZSTYQBDC-SNVBAGLBSA-N 1 0 283.379 2.455 10 0 CEAERO CCc1cc(CO[C@]2(C[NH3+])CC[C@@H](C)C2)n(CC)n1 ZINC000089180810 179744401 /nfs/dbraw/zinc/74/44/01/179744401.db2.gz CWXMWAFIUZXIKF-IUODEOHRSA-N 1 0 265.401 2.500 10 0 CEAERO CCc1cc(CO[C@@]2(C[NH3+])CC[C@H](C)C2)n(CC)n1 ZINC000089180809 179744429 /nfs/dbraw/zinc/74/44/29/179744429.db2.gz CWXMWAFIUZXIKF-WFASDCNBSA-N 1 0 265.401 2.500 10 0 CEAERO CC(C)[C@@H](C)C(=O)N(C1CCC1)C1CC[NH2+]CC1 ZINC000675054309 539703925 /nfs/dbraw/zinc/70/39/25/539703925.db2.gz GCPVDSFWXNFPNV-GFCCVEGCSA-N 1 0 252.402 2.412 10 0 CEAERO CCc1cc(CO[C@]2(C[NH3+])CC[C@H](C)C2)n(CC)n1 ZINC000089180808 179744653 /nfs/dbraw/zinc/74/46/53/179744653.db2.gz CWXMWAFIUZXIKF-SWLSCSKDSA-N 1 0 265.401 2.500 10 0 CEAERO CCc1cc(COC2(C[NH3+])CCCCC2)n(C)n1 ZINC000089180745 179744905 /nfs/dbraw/zinc/74/49/05/179744905.db2.gz PWWNNONTLCFURO-UHFFFAOYSA-N 1 0 251.374 2.161 10 0 CEAERO Cc1nn(C)c(C[NH2+][C@@]2(CO)CCC[C@H](C)C2)c1Cl ZINC000089232878 179758770 /nfs/dbraw/zinc/75/87/70/179758770.db2.gz RXUKYTSDOOMPOS-HZMBPMFUSA-N 1 0 285.819 2.413 10 0 CEAERO O[C@]12CCCC[C@H]1C[N@H+](CC[C@@H]1CCOC1)CC2 ZINC000400614676 233179956 /nfs/dbraw/zinc/17/99/56/233179956.db2.gz JYRKJRZOWLMVMG-ILXRZTDVSA-N 1 0 253.386 2.040 10 0 CEAERO Cc1ccc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])cc1F ZINC000089449667 539715942 /nfs/dbraw/zinc/71/59/42/539715942.db2.gz GBFWTQOFXODKPX-PWSUYJOCSA-N 1 0 250.317 2.448 10 0 CEAERO CN(Cc1cccc(F)c1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089450137 539715979 /nfs/dbraw/zinc/71/59/79/539715979.db2.gz BYBJYCCPBDOBOE-OCCSQVGLSA-N 1 0 264.344 2.159 10 0 CEAERO CCC[NH2+][C@@H](Cc1cc(CC)nn1C)C1CCOCC1 ZINC000089199481 179752262 /nfs/dbraw/zinc/75/22/62/179752262.db2.gz UGWGXINPUAWCNV-INIZCTEOSA-N 1 0 279.428 2.320 10 0 CEAERO CCOc1ccc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089448715 539716310 /nfs/dbraw/zinc/71/63/10/539716310.db2.gz WUYQXFWCTPKLEA-SMDDNHRTSA-N 1 0 262.353 2.399 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000089449205 539716413 /nfs/dbraw/zinc/71/64/13/539716413.db2.gz DNOSJVGCNUQSQX-SCZZXKLOSA-N 1 0 298.289 2.322 10 0 CEAERO CN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089456096 539717501 /nfs/dbraw/zinc/71/75/01/539717501.db2.gz FBQAMCLFDCRPIZ-NWDGAFQWSA-N 1 0 282.334 2.298 10 0 CEAERO COc1cccc([C@H](C)NC(=O)[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089454648 539717580 /nfs/dbraw/zinc/71/75/80/539717580.db2.gz VFAHRGRAONMKCN-LNSITVRQSA-N 1 0 276.380 2.247 10 0 CEAERO CC[C@H](C)[C@H]1CN(Cc2cc(C)nn2C)[C@H](C2CC2)C[NH2+]1 ZINC000089210301 179755108 /nfs/dbraw/zinc/75/51/08/179755108.db2.gz UVDGWXXICGFNRH-VUCTXSBTSA-N 1 0 290.455 2.327 10 0 CEAERO CC[C@H]1CN(Cc2cc(C)nn2C)C2(CCCC2)C[NH2+]1 ZINC000089209898 179755175 /nfs/dbraw/zinc/75/51/75/179755175.db2.gz DKVSYYAZSQUQQD-AWEZNQCLSA-N 1 0 276.428 2.225 10 0 CEAERO CCc1cc(CN2C[C@H](CC)[NH2+]C[C@@]2(C)CC)n(C)n1 ZINC000089209839 179755383 /nfs/dbraw/zinc/75/53/83/179755383.db2.gz SMNVDKBMFQVVOD-GOEBONIOSA-N 1 0 278.444 2.335 10 0 CEAERO C[C@H](Cc1ccsc1)NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089460497 539718866 /nfs/dbraw/zinc/71/88/66/539718866.db2.gz JFAJDWBADQJREJ-RTXFEEFZSA-N 1 0 266.410 2.170 10 0 CEAERO COc1cc(N[C@H](C)[C@@H]2CC[NH2+]C2)cc(OC)c1 ZINC000400343923 233176817 /nfs/dbraw/zinc/17/68/17/233176817.db2.gz GOMQLMMJVVQLAX-GHMZBOCLSA-N 1 0 250.342 2.114 10 0 CEAERO CCc1ccccc1CNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089482121 539720002 /nfs/dbraw/zinc/72/00/02/539720002.db2.gz STUKGIOTISKTQU-ZFWWWQNUSA-N 1 0 260.381 2.240 10 0 CEAERO COCc1cccc(CNC(=O)[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000089393235 179779458 /nfs/dbraw/zinc/77/94/58/179779458.db2.gz PWFFXOWCUJWGCN-HZPDHXFCSA-N 1 0 290.407 2.214 10 0 CEAERO Cc1nc(CN(C)C(=O)[C@H]2CCCC[C@H]2C[NH3+])cs1 ZINC000089397076 179780172 /nfs/dbraw/zinc/78/01/72/179780172.db2.gz OCCQLOZPSWMNPZ-AAEUAGOBSA-N 1 0 281.425 2.175 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1cc(F)c(F)cc1F ZINC000089461746 179796700 /nfs/dbraw/zinc/79/67/00/179796700.db2.gz GOMBQDZYFYYOOX-SFYZADRCSA-N 1 0 272.270 2.417 10 0 CEAERO Cc1ccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])cc1F ZINC000089449671 179791726 /nfs/dbraw/zinc/79/17/26/179791726.db2.gz GBFWTQOFXODKPX-JQWIXIFHSA-N 1 0 250.317 2.448 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1c(F)cccc1F ZINC000089450304 179792482 /nfs/dbraw/zinc/79/24/82/179792482.db2.gz YSPOWUPVWIFJHP-RKDXNWHRSA-N 1 0 254.280 2.278 10 0 CEAERO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089456752 179794043 /nfs/dbraw/zinc/79/40/43/179794043.db2.gz YRNZYJQEPXUKOX-NXEZZACHSA-N 1 0 266.307 2.162 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCc1cc2c(s1)CCC2 ZINC000089459196 179795363 /nfs/dbraw/zinc/79/53/63/179795363.db2.gz LKYGJCJQVZLXGW-DGCLKSJQSA-N 1 0 278.421 2.228 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1nc2c(s1)CCCC2 ZINC000089460623 179795946 /nfs/dbraw/zinc/79/59/46/179795946.db2.gz KXUWZGQNMLUQEV-VHSXEESVSA-N 1 0 279.409 2.335 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@@H]1CNC(=O)c1cc(F)ccc1F ZINC000089531125 179811240 /nfs/dbraw/zinc/81/12/40/179811240.db2.gz YOSPKDQVZHCNII-GHMZBOCLSA-N 1 0 282.334 2.460 10 0 CEAERO Cn1c2ccccc2nc1OC[C@H]1CCC[C@H]1C[NH3+] ZINC000089538916 179814165 /nfs/dbraw/zinc/81/41/65/179814165.db2.gz QIHDVUBTBQSSME-NWDGAFQWSA-N 1 0 259.353 2.327 10 0 CEAERO CC(C)(C)OC(=O)N[C@H]1C[NH2+]C[C@H]1c1cccc(F)c1 ZINC000068575191 362943743 /nfs/dbraw/zinc/94/37/43/362943743.db2.gz ZLFBUCKGGYNPOM-STQMWFEESA-N 1 0 280.343 2.406 10 0 CEAERO C[C@@H](NC(=O)C[C@@H]1CC[NH2+]C1)c1cc(F)ccc1F ZINC000089741804 539730124 /nfs/dbraw/zinc/73/01/24/539730124.db2.gz FRNHWXNHEOFGLB-ZJUUUORDSA-N 1 0 268.307 2.142 10 0 CEAERO CC(C)(C)[NH2+]CCn1nnnc1SCc1ccsc1 ZINC000089688703 179847043 /nfs/dbraw/zinc/84/70/43/179847043.db2.gz NPSYTORPGDENKR-UHFFFAOYSA-N 1 0 297.453 2.415 10 0 CEAERO c1cn(C[C@@H]2CCC[N@@H+]2Cc2cccc3c2OCCO3)cn1 ZINC000178516833 542250336 /nfs/dbraw/zinc/25/03/36/542250336.db2.gz VXBHLILGRORTBV-HNNXBMFYSA-N 1 0 299.374 2.319 10 0 CEAERO C[C@H]([NH2+]C[C@](C)(O)CO)c1ccc(C(F)(F)F)cc1 ZINC000090285537 179948970 /nfs/dbraw/zinc/94/89/70/179948970.db2.gz GRNRTEMAPPZAIX-CABZTGNLSA-N 1 0 277.286 2.099 10 0 CEAERO CCC[NH2+]C[C@H]1CCCCN1Cc1cncn1CC ZINC000090235945 179936820 /nfs/dbraw/zinc/93/68/20/179936820.db2.gz IYLIAXARSJKTNE-CQSZACIVSA-N 1 0 264.417 2.257 10 0 CEAERO O=C(Nc1ccc(C(F)(F)F)cc1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090321732 179957772 /nfs/dbraw/zinc/95/77/72/179957772.db2.gz ZLZJGPSDGNLTBN-NXEZZACHSA-N 1 0 299.296 2.389 10 0 CEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C(=O)c1cc2ccccc2[nH]1 ZINC000090330664 179962190 /nfs/dbraw/zinc/96/21/90/179962190.db2.gz LSJUWYCMDHCUQG-DVOMOZLQSA-N 1 0 283.375 2.238 10 0 CEAERO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1C(=O)CCc1ccccc1 ZINC000090336488 179965227 /nfs/dbraw/zinc/96/52/27/179965227.db2.gz CFNNXLLYFKJBKX-LSDHHAIUSA-N 1 0 272.392 2.076 10 0 CEAERO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1c1nc2ccccc2o1 ZINC000090338767 179966792 /nfs/dbraw/zinc/96/67/92/179966792.db2.gz HONBRZZQTBPURR-WDEREUQCSA-N 1 0 257.337 2.262 10 0 CEAERO CCC[NH2+][C@H]1CCN([C@H](C)c2ccc(OC)cc2)C1=O ZINC000090340397 179967967 /nfs/dbraw/zinc/96/79/67/179967967.db2.gz LJUBFVGJLAHQKI-DOMZBBRYSA-N 1 0 276.380 2.357 10 0 CEAERO Cc1ccc(NC(=O)CSC[C@@H](C)[NH3+])cc1F ZINC000090343978 179969554 /nfs/dbraw/zinc/96/95/54/179969554.db2.gz KFPGGGRORKLZSO-SECBINFHSA-N 1 0 256.346 2.153 10 0 CEAERO CCC[NH2+][C@@](C)(C[C@@H](C)OCCC(C)(C)C)C(N)=O ZINC000090350424 179971973 /nfs/dbraw/zinc/97/19/73/179971973.db2.gz IPQKDXWLUAKZIP-DOMZBBRYSA-N 1 0 272.433 2.461 10 0 CEAERO CC[C@H]([NH3+])CSCC(=O)Nc1ccccc1F ZINC000090356500 179975089 /nfs/dbraw/zinc/97/50/89/179975089.db2.gz BAMYMAMCPYVSCY-VIFPVBQESA-N 1 0 256.346 2.235 10 0 CEAERO C[C@H](NC(=O)CSCC(C)(C)[NH3+])c1cccs1 ZINC000090358245 179976659 /nfs/dbraw/zinc/97/66/59/179976659.db2.gz SWBMJDHVJCCWQD-VIFPVBQESA-N 1 0 272.439 2.396 10 0 CEAERO CC[NH2+][C@@H]1COC[C@@H]1c1nc2ccccc2n1C1CC1 ZINC000090472291 179989200 /nfs/dbraw/zinc/98/92/00/179989200.db2.gz MRQJRCFSVXIALN-GXTWGEPZSA-N 1 0 271.364 2.463 10 0 CEAERO CC[NH2+][C@@H]1COC[C@@H]1CN(CC)c1ccc(C)cc1 ZINC000090494657 179992974 /nfs/dbraw/zinc/99/29/74/179992974.db2.gz NMKMXXPXHVLKMP-GOEBONIOSA-N 1 0 262.397 2.446 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccc(OCC)cc1 ZINC000090538497 180000108 /nfs/dbraw/zinc/00/01/08/180000108.db2.gz HHGPQCXZMRYISL-HUUCEWRRSA-N 1 0 292.379 2.038 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N(CC)c1ccccc1C ZINC000090538738 180000275 /nfs/dbraw/zinc/00/02/75/180000275.db2.gz WNETZDVGIRHXPO-LSDHHAIUSA-N 1 0 290.407 2.363 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1cccc(OCC)c1 ZINC000090541585 180000379 /nfs/dbraw/zinc/00/03/79/180000379.db2.gz KYDMBXLYNJJHHH-HUUCEWRRSA-N 1 0 292.379 2.038 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000090541809 180000534 /nfs/dbraw/zinc/00/05/34/180000534.db2.gz YLHDVIJTKYVBNB-BYNSBNAKSA-N 1 0 282.428 2.038 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000090541559 180000569 /nfs/dbraw/zinc/00/05/69/180000569.db2.gz INLJTFGYAFUQEM-CWRNSKLLSA-N 1 0 290.407 2.187 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccc(C)c(F)c1 ZINC000090539057 180000570 /nfs/dbraw/zinc/00/05/70/180000570.db2.gz UYMVHYMPISZHMM-JSGCOSHPSA-N 1 0 280.343 2.087 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)N1CCC(C)(CC)CC1 ZINC000090545162 180000960 /nfs/dbraw/zinc/00/09/60/180000960.db2.gz ARXHETVPNCGPNY-ZIAGYGMSSA-N 1 0 282.428 2.040 10 0 CEAERO Cc1ccc(F)cc1NC(=O)CSCC1C[NH2+]C1 ZINC000090712354 180028517 /nfs/dbraw/zinc/02/85/17/180028517.db2.gz KXRSFKSNHOWJJQ-UHFFFAOYSA-N 1 0 268.357 2.025 10 0 CEAERO CC[NH2+][C@@H]1CCN(CCOC2CCCC2)[C@H](C)C1 ZINC000104435419 186001151 /nfs/dbraw/zinc/00/11/51/186001151.db2.gz QSKZWHVPZZCDRY-ZIAGYGMSSA-N 1 0 254.418 2.408 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1CN1CCC(C(F)(F)F)CC1 ZINC000090567250 180006329 /nfs/dbraw/zinc/00/63/29/180006329.db2.gz URDUYAOJVGLPIZ-DGCLKSJQSA-N 1 0 294.361 2.275 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1CN(C)c1cccc(C)c1 ZINC000090566719 180006756 /nfs/dbraw/zinc/00/67/56/180006756.db2.gz SLNIYKMBEWUDIR-HOCLYGCPSA-N 1 0 262.397 2.446 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1CN(C)c1ccccc1F ZINC000090566729 180006852 /nfs/dbraw/zinc/00/68/52/180006852.db2.gz RDQGYPMYMJGESY-OCCSQVGLSA-N 1 0 266.360 2.277 10 0 CEAERO CCC1CCC(c2noc([C@]3(C)COC[C@@H]3[NH3+])n2)CC1 ZINC000090574133 180008780 /nfs/dbraw/zinc/00/87/80/180008780.db2.gz QYJUKOHKGVKUJT-RJVJFLMVSA-N 1 0 279.384 2.369 10 0 CEAERO CC(C)c1ccccc1NC(=O)[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090580476 180008871 /nfs/dbraw/zinc/00/88/71/180008871.db2.gz DFMNRKDJTAAQSI-ZFWWWQNUSA-N 1 0 262.353 2.112 10 0 CEAERO CC(C)C[C@H](NC(=O)[C@]1(C)COC[C@@H]1[NH3+])c1ccccc1 ZINC000090587259 180009418 /nfs/dbraw/zinc/00/94/18/180009418.db2.gz HEZUXYNKIJQJOR-YQQAZPJKSA-N 1 0 290.407 2.254 10 0 CEAERO C[C@]1(C[N@@H+]2CCC[C@@H]2C2CCCC2)COC[C@@H]1N ZINC000090606931 180011285 /nfs/dbraw/zinc/01/12/85/180011285.db2.gz MDXDOKSLMANJOV-ILXRZTDVSA-N 1 0 252.402 2.005 10 0 CEAERO Cc1cc(C)c([C@H](C)[NH2+]CC2(CO)COC2)cc1C ZINC000090642827 180017010 /nfs/dbraw/zinc/01/70/10/180017010.db2.gz HYQRAXNUAAWQIG-AWEZNQCLSA-N 1 0 263.381 2.271 10 0 CEAERO C[NH2+][C@@](CO)(CO[C@@H](C)C(F)(F)F)c1ccccc1 ZINC000090676022 180022343 /nfs/dbraw/zinc/02/23/43/180022343.db2.gz YKSQOMXJDRTPGN-JQWIXIFHSA-N 1 0 277.286 2.061 10 0 CEAERO CCOC(=O)[C@@](C)([NH3+])CCCO[C@H](C)C(F)(F)F ZINC000090674611 180022350 /nfs/dbraw/zinc/02/23/50/180022350.db2.gz PSFLNDNYJCCADW-SCZZXKLOSA-N 1 0 271.279 2.015 10 0 CEAERO CCC[NH2+][C@@](C)(CO)CCCO[C@H](C)C(F)(F)F ZINC000090675985 180022443 /nfs/dbraw/zinc/02/24/43/180022443.db2.gz UDXITUIUAJUCLG-GHMZBOCLSA-N 1 0 271.323 2.485 10 0 CEAERO [NH3+]Cc1nc(-c2nc(Cc3ccccc3)no2)cs1 ZINC000090933482 180066675 /nfs/dbraw/zinc/06/66/75/180066675.db2.gz NYYJTWIISHTUSO-UHFFFAOYSA-N 1 0 272.333 2.243 10 0 CEAERO CCCOc1cc(N[C@H]2CCCCC[C@H]2[NH3+])ncn1 ZINC000090785192 180040166 /nfs/dbraw/zinc/04/01/66/180040166.db2.gz PYWJOSXSQUYXQD-NEPJUHHUSA-N 1 0 264.373 2.337 10 0 CEAERO CCOc1cc(Nc2ccc(CC[NH3+])cc2)nc(C)n1 ZINC000090788386 180041252 /nfs/dbraw/zinc/04/12/52/180041252.db2.gz NAKCRXOFAPKUPI-UHFFFAOYSA-N 1 0 272.352 2.429 10 0 CEAERO COc1ncnc(N2CCC[C@@H]2C[NH2+]CC(C)C)c1C ZINC000090789044 180041585 /nfs/dbraw/zinc/04/15/85/180041585.db2.gz TUHFPAUICSTDJX-CYBMUJFWSA-N 1 0 278.400 2.008 10 0 CEAERO CCOc1cc(Nc2ccccc2C[NH3+])nc(C)n1 ZINC000090788385 180041613 /nfs/dbraw/zinc/04/16/13/180041613.db2.gz UFSJOVUXCXBTST-UHFFFAOYSA-N 1 0 258.325 2.386 10 0 CEAERO CCOc1ncnc(N(C)Cc2ccc(C[NH3+])cc2)c1C ZINC000090789510 180041939 /nfs/dbraw/zinc/04/19/39/180041939.db2.gz FWTLZEMPVPNTNW-UHFFFAOYSA-N 1 0 286.379 2.279 10 0 CEAERO CCOc1ncnc(N(C)[C@H]2CCCC[C@@H]2C[NH3+])c1C ZINC000090789720 180041942 /nfs/dbraw/zinc/04/19/42/180041942.db2.gz YCZMHPVUWZKWFW-OLZOCXBDSA-N 1 0 278.400 2.137 10 0 CEAERO CCOc1ncnc(N[C@@H]2c3ccccc3C[C@@H]2[NH3+])c1C ZINC000090790143 180041961 /nfs/dbraw/zinc/04/19/61/180041961.db2.gz QKLSOWXMBHJUBW-UONOGXRCSA-N 1 0 284.363 2.220 10 0 CEAERO COc1ccc(C)cc1[C@H](C)[NH2+]C[C@H](C)[S@](C)=O ZINC000090843091 180044591 /nfs/dbraw/zinc/04/45/91/180044591.db2.gz QHXRZMYHSQIANI-OAVHHTNSSA-N 1 0 269.410 2.421 10 0 CEAERO C[NH2+][C@@H]1C[C@@H](OC[C@@H]2CCCCO2)C12CCCC2 ZINC000090856409 180047014 /nfs/dbraw/zinc/04/70/14/180047014.db2.gz YNFCYQKMCHREEU-BFHYXJOUSA-N 1 0 253.386 2.493 10 0 CEAERO CCC1(CC)[C@@H]([NH3+])C[C@@H]1Oc1cccc(S(C)(=O)=O)c1 ZINC000090862039 180047365 /nfs/dbraw/zinc/04/73/65/180047365.db2.gz KOTNDHYHUCVBOP-KBPBESRZSA-N 1 0 297.420 2.375 10 0 CEAERO [NH3+][C@@H]1C[C@H](OCC2CCOCC2)C12CCCCC2 ZINC000090863588 180047625 /nfs/dbraw/zinc/04/76/25/180047625.db2.gz YLQWFAICHOKFKJ-KGLIPLIRSA-N 1 0 253.386 2.480 10 0 CEAERO [NH3+][C@H]1C[C@H](OCC2CCOCC2)C12CCCCC2 ZINC000090863589 180048043 /nfs/dbraw/zinc/04/80/43/180048043.db2.gz YLQWFAICHOKFKJ-KBPBESRZSA-N 1 0 253.386 2.480 10 0 CEAERO CCC1(CC)[C@@H]([NH3+])C[C@@H]1Oc1c(C)nn(C)c1C ZINC000090865714 180048092 /nfs/dbraw/zinc/04/80/92/180048092.db2.gz XBQIFLMVRLYCSF-RYUDHWBXSA-N 1 0 251.374 2.322 10 0 CEAERO C[NH2+]Cc1cccc(SCC(=O)N2CCCC2)c1 ZINC000090870766 180048904 /nfs/dbraw/zinc/04/89/04/180048904.db2.gz BVXYBBBWRRNAME-UHFFFAOYSA-N 1 0 264.394 2.121 10 0 CEAERO CCCNC(=O)[C@@H](C)Sc1cccc(C[NH3+])c1 ZINC000090870392 180048909 /nfs/dbraw/zinc/04/89/09/180048909.db2.gz BYJXPMHRIMBKTD-SNVBAGLBSA-N 1 0 252.383 2.152 10 0 CEAERO CC[NH2+]Cc1cccc(S[C@@H](C)C(=O)NCCOC)c1 ZINC000090871322 180050176 /nfs/dbraw/zinc/05/01/76/180050176.db2.gz LEWGGEBUPIESBF-LBPRGKRZSA-N 1 0 296.436 2.039 10 0 CEAERO NC(=[NH2+])c1ccccc1OC[C@H]1Cc2ccccc2O1 ZINC000090875238 180051051 /nfs/dbraw/zinc/05/10/51/180051051.db2.gz OJZBCCGIXUATBA-GFCCVEGCSA-N 1 0 268.316 2.353 10 0 CEAERO Cc1nn(C[C@@H]2Cc3ccccc3O2)c(C)c1CC[NH3+] ZINC000090877408 180051756 /nfs/dbraw/zinc/05/17/56/180051756.db2.gz DLZATEVSTTUHBP-AWEZNQCLSA-N 1 0 271.364 2.005 10 0 CEAERO CN(C[C@@H]1Cc2cc(F)ccc2O1)C1(C[NH3+])CCCC1 ZINC000090879182 180052615 /nfs/dbraw/zinc/05/26/15/180052615.db2.gz JRGBSLSRTQBYAY-AWEZNQCLSA-N 1 0 278.371 2.333 10 0 CEAERO C[C@H]([NH3+])[C@H]1CCCCN1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090878940 180052650 /nfs/dbraw/zinc/05/26/50/180052650.db2.gz WDKPTVFOMDRVNZ-TUKIKUTGSA-N 1 0 278.371 2.331 10 0 CEAERO CCN(C[C@H]1Cc2cc(F)ccc2O1)C(C)(C)C[NH3+] ZINC000090879189 180053008 /nfs/dbraw/zinc/05/30/08/180053008.db2.gz XKZBWSVVJYVAQH-CYBMUJFWSA-N 1 0 266.360 2.188 10 0 CEAERO Fc1ccc2c(c1)C[C@H](C[NH2+]CCN1CCCCC1)O2 ZINC000090892523 180053640 /nfs/dbraw/zinc/05/36/40/180053640.db2.gz KLJAGOUAGUVUQM-OAHLLOKOSA-N 1 0 278.371 2.205 10 0 CEAERO CC(C)[C@H](CN(C)C)[NH2+]C[C@H]1Cc2cc(F)ccc2O1 ZINC000090892414 180053700 /nfs/dbraw/zinc/05/37/00/180053700.db2.gz HFDAPWSPECPTIC-CABCVRRESA-N 1 0 280.387 2.305 10 0 CEAERO CCOC[C@@H](C)[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892567 180054765 /nfs/dbraw/zinc/05/47/65/180054765.db2.gz OOCNVLUOONUTPD-MFKMUULPSA-N 1 0 253.317 2.144 10 0 CEAERO CC(C)N(C)CC[NH2+]C[C@H]1Cc2cc(F)ccc2O1 ZINC000090892710 180054885 /nfs/dbraw/zinc/05/48/85/180054885.db2.gz LDHARYKOTZNXOX-CQSZACIVSA-N 1 0 266.360 2.059 10 0 CEAERO CC[NH2+]C[C@@H]1CCCN1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893515 180055218 /nfs/dbraw/zinc/05/52/18/180055218.db2.gz VDWSXVKAHZWHBF-GJZGRUSLSA-N 1 0 278.371 2.203 10 0 CEAERO C[C@@H](CC(N)=S)[N@H+](C)C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893185 180055490 /nfs/dbraw/zinc/05/54/90/180055490.db2.gz YZDKANHVGZANJN-CABZTGNLSA-N 1 0 282.384 2.126 10 0 CEAERO Fc1ccc2c(c1)C[C@@H](Cn1ccnc1C[NH2+]C1CC1)O2 ZINC000090894384 180055769 /nfs/dbraw/zinc/05/57/69/180055769.db2.gz WUZBRWABPQGKFP-AWEZNQCLSA-N 1 0 287.338 2.278 10 0 CEAERO COCC[NH2+]C[C@@H](C)C[C@H]1Cc2cc(F)ccc2O1 ZINC000090895129 180055772 /nfs/dbraw/zinc/05/57/72/180055772.db2.gz GTJBPMJCOWTTJT-FZMZJTMJSA-N 1 0 267.344 2.391 10 0 CEAERO C[NH2+]Cc1cnn(C[C@H]2Cc3cc(F)ccc3O2)c1C ZINC000090895590 180056183 /nfs/dbraw/zinc/05/61/83/180056183.db2.gz XQTLOLJQHXHYET-CQSZACIVSA-N 1 0 275.327 2.054 10 0 CEAERO CC(C)[C@H]1C[NH2+]CCN1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090896128 180056314 /nfs/dbraw/zinc/05/63/14/180056314.db2.gz OUSWPZUYTBHZMD-LSDHHAIUSA-N 1 0 278.371 2.059 10 0 CEAERO CC[C@H]([NH3+])Cc1nccn1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090895273 180056351 /nfs/dbraw/zinc/05/63/51/180056351.db2.gz SVWHDPUUDZXXHU-KBPBESRZSA-N 1 0 289.354 2.306 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[NH2+]CC1CCOCC1)O2 ZINC000090898044 180056998 /nfs/dbraw/zinc/05/69/98/180056998.db2.gz VWHYTGFINXNABF-OAHLLOKOSA-N 1 0 261.365 2.315 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[NH2+][C@H](C)Cn1cccn1)O2 ZINC000090897574 180057099 /nfs/dbraw/zinc/05/70/99/180057099.db2.gz TTXGHRMNFIJQPL-UKRRQHHQSA-N 1 0 271.364 2.173 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[NH2+][C@H](CO)CC(C)C)O2 ZINC000090897552 180057169 /nfs/dbraw/zinc/05/71/69/180057169.db2.gz HGYQZCCTNHFECC-LSDHHAIUSA-N 1 0 263.381 2.295 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](C[N@@H+]1CCC[C@H](C(N)=S)C1)O2 ZINC000090898443 180057840 /nfs/dbraw/zinc/05/78/40/180057840.db2.gz DJOKLZREJZXSEG-JSGCOSHPSA-N 1 0 290.432 2.297 10 0 CEAERO CCC[NH2+]CCN(C)C[C@H]1Cc2cc(C)ccc2O1 ZINC000090898970 180057891 /nfs/dbraw/zinc/05/78/91/180057891.db2.gz IUMPWJLPHWIUJR-OAHLLOKOSA-N 1 0 262.397 2.230 10 0 CEAERO Cc1ccc2c(c1)C[C@H](CN(C)c1cc[nH+]cc1N)O2 ZINC000090898997 180058426 /nfs/dbraw/zinc/05/84/26/180058426.db2.gz DNIHHCAJOKOYBE-CYBMUJFWSA-N 1 0 269.348 2.412 10 0 CEAERO OC1CC[NH+](C[C@H]2Cc3cc(Cl)ccc3O2)CC1 ZINC000090900889 180058571 /nfs/dbraw/zinc/05/85/71/180058571.db2.gz GQVLJDUZLJJTDC-CYBMUJFWSA-N 1 0 267.756 2.100 10 0 CEAERO Cc1nn(C[C@H]2Cc3cc(C)ccc3O2)c(C)c1CC[NH3+] ZINC000090901591 180058710 /nfs/dbraw/zinc/05/87/10/180058710.db2.gz GYWCHRVKMKFJLA-OAHLLOKOSA-N 1 0 285.391 2.313 10 0 CEAERO OC[C@H]1CCC[N@@H+]1C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090900974 180059148 /nfs/dbraw/zinc/05/91/48/180059148.db2.gz UDKBYYUYLPMZDM-OLZOCXBDSA-N 1 0 267.756 2.100 10 0 CEAERO CC[C@H](CO)[NH2+]C[C@H]1Cc2cc(Cl)ccc2O1 ZINC000090903528 180059809 /nfs/dbraw/zinc/05/98/09/180059809.db2.gz YAEKJGYWTYRMEN-VXGBXAGGSA-N 1 0 255.745 2.004 10 0 CEAERO Clc1ccc2c(c1)C[C@@H](C[NH2+][C@@H]1CN3CCC1CC3)O2 ZINC000090903390 180060256 /nfs/dbraw/zinc/06/02/56/180060256.db2.gz ZIEWXBMOEXJKOK-LSDHHAIUSA-N 1 0 292.810 2.327 10 0 CEAERO C[NH2+][C@H](CCN1C[C@H]2CC[C@@H](C1)O2)c1ccc(F)cc1 ZINC000090907586 180061982 /nfs/dbraw/zinc/06/19/82/180061982.db2.gz BNVANTBJDDHNLX-OWCLPIDISA-N 1 0 278.371 2.340 10 0 CEAERO CCC[C@@](C)(C[NH2+]CC)CN1C[C@H]2CC[C@@H](C1)O2 ZINC000090907573 180062227 /nfs/dbraw/zinc/06/22/27/180062227.db2.gz ASKOQEFGZMICHS-ZNMIVQPWSA-N 1 0 254.418 2.266 10 0 CEAERO C[C@@H]([NH3+])c1nc(CN(C)Cc2ccncc2)cs1 ZINC000090958043 180074500 /nfs/dbraw/zinc/07/45/00/180074500.db2.gz ZZOSMFXFBIXEFM-SNVBAGLBSA-N 1 0 262.382 2.190 10 0 CEAERO C[C@H]([NH3+])c1nc(CN(C)Cc2ccncc2)cs1 ZINC000090958042 180074620 /nfs/dbraw/zinc/07/46/20/180074620.db2.gz ZZOSMFXFBIXEFM-JTQLQIEISA-N 1 0 262.382 2.190 10 0 CEAERO Nc1ccsc1C[NH2+]CCN1CCCCCC1 ZINC000090960402 180075548 /nfs/dbraw/zinc/07/55/48/180075548.db2.gz IRTYZOIFTZSFGG-UHFFFAOYSA-N 1 0 253.415 2.296 10 0 CEAERO Nc1ccsc1C[NH2+]C[C@H]1CCCC[C@H]1CO ZINC000090960904 180075909 /nfs/dbraw/zinc/07/59/09/180075909.db2.gz UOOSGAXWOZUGNH-MNOVXSKESA-N 1 0 254.399 2.219 10 0 CEAERO COc1ccccc1C[C@H]([NH2+]Cc1ncn(C)n1)C(C)C ZINC000090969281 180077505 /nfs/dbraw/zinc/07/75/05/180077505.db2.gz YNVGJIBIVJUNTI-AWEZNQCLSA-N 1 0 288.395 2.181 10 0 CEAERO C[C@@]1(C2CC2)CN(C[C@@H]2Cc3ccccc32)CC[NH2+]1 ZINC000090981991 180078781 /nfs/dbraw/zinc/07/87/81/180078781.db2.gz DITZZTGGYDRFJF-YOEHRIQHSA-N 1 0 256.393 2.400 10 0 CEAERO C[C@@H]1C[N@H+](C[C@@H]2Cc3ccccc32)[C@H](C2CC2)CN1 ZINC000090982044 180079301 /nfs/dbraw/zinc/07/93/01/180079301.db2.gz CMJQPUQFBRKCSU-PVUWLOKVSA-N 1 0 256.393 2.399 10 0 CEAERO [NH3+]Cc1ccc(CNC(=O)[C@@H]2Cc3ccccc32)c(F)c1 ZINC000090982676 180079697 /nfs/dbraw/zinc/07/96/97/180079697.db2.gz VGOYCKRTZDFTCD-OAHLLOKOSA-N 1 0 284.334 2.241 10 0 CEAERO Cn1c2ccc([C@@H]([NH3+])[C@H]3Cc4ccccc43)cc2oc1=O ZINC000090984277 180080174 /nfs/dbraw/zinc/08/01/74/180080174.db2.gz NODCCMGQIFGAEX-XJKSGUPXSA-N 1 0 280.327 2.471 10 0 CEAERO CC[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc32)[C@@H](CC)C[NH2+]1 ZINC000090985576 180080653 /nfs/dbraw/zinc/08/06/53/180080653.db2.gz HLIMOZXRWZPLAH-IJEWVQPXSA-N 1 0 272.392 2.315 10 0 CEAERO C[C@@H]1CCC[C@H](C[NH3+])N1C(=O)[C@@H]1Cc2ccccc21 ZINC000090985531 180080661 /nfs/dbraw/zinc/08/06/61/180080661.db2.gz PESLYHVRBVVJSB-UXIGCNINSA-N 1 0 258.365 2.055 10 0 CEAERO [NH3+]C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc21 ZINC000090987175 180080934 /nfs/dbraw/zinc/08/09/34/180080934.db2.gz ICZYKWCGZPFXLE-NVXWUHKLSA-N 1 0 280.371 2.013 10 0 CEAERO COc1ccccc1[C@H](C[NH3+])[C@H](O)[C@@H]1Cc2ccccc21 ZINC000090991866 180081484 /nfs/dbraw/zinc/08/14/84/180081484.db2.gz NMMBBHJFDGMGJV-SOLBZPMBSA-N 1 0 283.371 2.438 10 0 CEAERO C[NH2+]Cc1cn(Cc2ncccn2)c2ccccc12 ZINC000090995339 180082938 /nfs/dbraw/zinc/08/29/38/180082938.db2.gz DUPXWPKJNTXDCZ-UHFFFAOYSA-N 1 0 252.321 2.199 10 0 CEAERO CCCCOC(=O)Cn1cccc1C[NH2+]C(C)C ZINC000091001223 180083176 /nfs/dbraw/zinc/08/31/76/180083176.db2.gz MSHVALBKWAHBTP-UHFFFAOYSA-N 1 0 252.358 2.329 10 0 CEAERO CCCn1ncnc1Cn1cccc1C[NH2+]C(C)(C)C ZINC000091001642 180083299 /nfs/dbraw/zinc/08/32/99/180083299.db2.gz YUMVFWFKPHAKSG-UHFFFAOYSA-N 1 0 275.400 2.426 10 0 CEAERO CC(C)Cn1ncnc1Cn1cccc1C[NH2+]C(C)C ZINC000091001165 180083539 /nfs/dbraw/zinc/08/35/39/180083539.db2.gz NMFJLUZNDKNPDV-UHFFFAOYSA-N 1 0 275.400 2.282 10 0 CEAERO CCCn1ccc(C[NH2+][C@H](CC(C)C)C(=O)N(C)C)c1 ZINC000091010321 180086375 /nfs/dbraw/zinc/08/63/75/180086375.db2.gz VJDBGBOROGCELT-OAHLLOKOSA-N 1 0 279.428 2.491 10 0 CEAERO CCCN(Cc1c[nH]c2ncccc12)[C@@H]1CC[NH2+]C1 ZINC000091019642 180087786 /nfs/dbraw/zinc/08/77/86/180087786.db2.gz OTFCGEVJDHGZNM-CYBMUJFWSA-N 1 0 258.369 2.137 10 0 CEAERO [NH3+]Cc1cn(Cc2cncn2C2CC2)c2ncccc12 ZINC000091019156 180088148 /nfs/dbraw/zinc/08/81/48/180088148.db2.gz CDEPCNZJRKBNBH-UHFFFAOYSA-N 1 0 267.336 2.075 10 0 CEAERO C[NH2+]Cc1cn(CCc2cccnc2)c2ncccc12 ZINC000091019538 180088338 /nfs/dbraw/zinc/08/83/38/180088338.db2.gz AUNXSIORUQPOCA-UHFFFAOYSA-N 1 0 266.348 2.393 10 0 CEAERO COCCn1cc(C[NH2+]CC(C)C)c2cccnc21 ZINC000091021139 180088990 /nfs/dbraw/zinc/08/89/90/180088990.db2.gz VKSTYMNFJUTXOD-UHFFFAOYSA-N 1 0 261.369 2.428 10 0 CEAERO Cc1ccc(NC(=O)c2csc(CC[NH3+])n2)cc1 ZINC000090946116 180069612 /nfs/dbraw/zinc/06/96/12/180069612.db2.gz LOMVGAHXYLWLQZ-UHFFFAOYSA-N 1 0 261.350 2.205 10 0 CEAERO [NH3+]CCc1nc(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)cs1 ZINC000090947541 180070124 /nfs/dbraw/zinc/07/01/24/180070124.db2.gz SDWGRGOFAYQXIP-VXGBXAGGSA-N 1 0 293.436 2.297 10 0 CEAERO Cc1nc(C)c([C@@H](C)NC(=O)C[C@@H]2CSCC[NH2+]2)s1 ZINC000091137823 180105719 /nfs/dbraw/zinc/10/57/19/180105719.db2.gz JHUBHAPYEJKZMT-MWLCHTKSSA-N 1 0 299.465 2.032 10 0 CEAERO CC(C)NC(=O)C[C@@H](CN)[N@@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000091318866 180133495 /nfs/dbraw/zinc/13/34/95/180133495.db2.gz ZKNWVRLKNFICQI-GJZGRUSLSA-N 1 0 297.487 2.377 10 0 CEAERO CC(C)(C)NC(=O)C[C@H](C[NH3+])N1CCC(C(C)(C)C)CC1 ZINC000091321527 180134431 /nfs/dbraw/zinc/13/44/31/180134431.db2.gz XVENYUTZZQUWNY-CQSZACIVSA-N 1 0 297.487 2.377 10 0 CEAERO Cc1cccc(N[C@@H](C[NH3+])CC(=O)NC(C)(C)C)c1 ZINC000091321840 180134539 /nfs/dbraw/zinc/13/45/39/180134539.db2.gz QJVBTJCLDGVKLT-CYBMUJFWSA-N 1 0 263.385 2.039 10 0 CEAERO CCC1CCC([N@H+](C)[C@@H](CN)CC(=O)N(CC)CC)CC1 ZINC000091322795 180134686 /nfs/dbraw/zinc/13/46/86/180134686.db2.gz GKTJCVGALITTGO-UYSNPLJNSA-N 1 0 297.487 2.473 10 0 CEAERO CCN(CC)C(=O)C[C@@H](CN)[N@H+](CC)C1CCCCC1 ZINC000091322578 180134754 /nfs/dbraw/zinc/13/47/54/180134754.db2.gz JWQNTYNVMDHUCS-HNNXBMFYSA-N 1 0 283.460 2.227 10 0 CEAERO CC(C)C[N@H+](C(C)C)[C@@H](CN)CC(=O)N1CCCCC1 ZINC000091325341 180135087 /nfs/dbraw/zinc/13/50/87/180135087.db2.gz YUEVMOJVICIIOB-OAHLLOKOSA-N 1 0 283.460 2.083 10 0 CEAERO CCOCCC[C@@](C[NH3+])(c1ccccc1)[C@H](C)O ZINC000091327734 180135744 /nfs/dbraw/zinc/13/57/44/180135744.db2.gz SLRNHVDWESANFF-ZFWWWQNUSA-N 1 0 251.370 2.081 10 0 CEAERO COCC[NH2+]C[C@]1(c2ccc3c(c2)OCCO3)CC[C@H]1C ZINC000091329154 180135926 /nfs/dbraw/zinc/13/59/26/180135926.db2.gz VFDBZUQHADACHJ-CXAGYDPISA-N 1 0 291.391 2.362 10 0 CEAERO CN(Cc1cccnc1)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000091359600 180140474 /nfs/dbraw/zinc/14/04/74/180140474.db2.gz LPQZQRJFFGIMGB-PMPSAXMXSA-N 1 0 287.407 2.351 10 0 CEAERO CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)[C@H](C)COC ZINC000091360043 180141152 /nfs/dbraw/zinc/14/11/52/180141152.db2.gz UEPYEMGKWAZTPM-QPSCCSFWSA-N 1 0 282.428 2.181 10 0 CEAERO O=C(NC1(CO)CCCCC1)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000091361052 180141215 /nfs/dbraw/zinc/14/12/15/180141215.db2.gz RKYSSDZFWXHSQU-ILXRZTDVSA-N 1 0 294.439 2.109 10 0 CEAERO C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)CC(C)(C)O1 ZINC000091360914 180141296 /nfs/dbraw/zinc/14/12/96/180141296.db2.gz STJRVFJPXJKOMV-QPSCCSFWSA-N 1 0 294.439 2.323 10 0 CEAERO C[C@@H](CCO)SCc1ccc(F)cc1C(N)=[NH2+] ZINC000091264152 180116467 /nfs/dbraw/zinc/11/64/67/180116467.db2.gz XGQDJFLRPHIRHV-QMMMGPOBSA-N 1 0 256.346 2.114 10 0 CEAERO CC[C@H]([NH3+])[C@H](S[C@@H](C)CCO)c1cccnc1 ZINC000091262046 180116523 /nfs/dbraw/zinc/11/65/23/180116523.db2.gz KIIRUXZNSHUQCU-WCFLWFBJSA-N 1 0 254.399 2.364 10 0 CEAERO C[C@H](CCO)SCc1ccc(F)cc1C(N)=[NH2+] ZINC000091264153 180116587 /nfs/dbraw/zinc/11/65/87/180116587.db2.gz XGQDJFLRPHIRHV-MRVPVSSYSA-N 1 0 256.346 2.114 10 0 CEAERO COCC[NH2+]Cc1cc(F)ccc1S[C@@H](C)CCO ZINC000091268282 180117252 /nfs/dbraw/zinc/11/72/52/180117252.db2.gz XWQDPIODJKJIEA-NSHDSACASA-N 1 0 287.400 2.425 10 0 CEAERO CC(C)[NH+](CCNCc1cncn1C1CC1)C(C)C ZINC000091274142 180118579 /nfs/dbraw/zinc/11/85/79/180118579.db2.gz QPDVWPVAERENID-UHFFFAOYSA-N 1 0 264.417 2.426 10 0 CEAERO [NH3+][C@@H]1CCCc2nc(-c3cncn3C3CC3)ncc21 ZINC000091274873 180118836 /nfs/dbraw/zinc/11/88/36/180118836.db2.gz QCFREVGYGYOZDR-LLVKDONJSA-N 1 0 255.325 2.011 10 0 CEAERO CC(C)[C@H](C)N(C)[C@@H](C[NH3+])c1cncn1C1CC1 ZINC000091276268 180120102 /nfs/dbraw/zinc/12/01/02/180120102.db2.gz BHFIOCFWYFPBHT-AAEUAGOBSA-N 1 0 250.390 2.194 10 0 CEAERO O[C@@H]1CC[C@H]2C[N@H+](CCOCC3CCCC3)C[C@@H]2C1 ZINC000412052786 233325040 /nfs/dbraw/zinc/32/50/40/233325040.db2.gz YKXGOLXQQQHHTM-HRCADAONSA-N 1 0 267.413 2.286 10 0 CEAERO Clc1ccc2oc(C[C@@H]3C[NH2+]CCO3)nc2c1 ZINC000091295229 180124664 /nfs/dbraw/zinc/12/46/64/180124664.db2.gz LPUIEIPKYNHOOR-SECBINFHSA-N 1 0 252.701 2.012 10 0 CEAERO CC(C)[C@@H](NC(=O)C[C@@H]1C[NH2+]CCO1)c1ccc(F)cc1 ZINC000091299869 180126834 /nfs/dbraw/zinc/12/68/34/180126834.db2.gz PQBIKTHZUMGLNK-GDBMZVCRSA-N 1 0 294.370 2.018 10 0 CEAERO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+]C1CC(O)C1 ZINC000091430527 180152920 /nfs/dbraw/zinc/15/29/20/180152920.db2.gz IGCKJGVEKSOZJN-ABXWRUBCSA-N 1 0 298.427 2.183 10 0 CEAERO CCCc1nc(N2CCC[C@H]([NH+](C)C)C2)sc1C=O ZINC000091433259 180154524 /nfs/dbraw/zinc/15/45/24/180154524.db2.gz CAGFLWJDERYMKI-NSHDSACASA-N 1 0 281.425 2.439 10 0 CEAERO CO[C@@H]1CCC[C@@H](Oc2cncc(C[NH2+]C(C)C)n2)C1 ZINC000091435423 180154752 /nfs/dbraw/zinc/15/47/52/180154752.db2.gz GBGROLFAGAKWNO-ZIAGYGMSSA-N 1 0 279.384 2.311 10 0 CEAERO O=C(Nc1nc2c(s1)C[NH2+]CC2)c1ccncc1Cl ZINC000091456729 180160224 /nfs/dbraw/zinc/16/02/24/180160224.db2.gz JWJFNJKMOOFKLA-UHFFFAOYSA-N 1 0 294.767 2.090 10 0 CEAERO CC(C)C[NH2+]CC[C@@](C)(O)c1ccc2c(c1)OCCO2 ZINC000091504328 180175366 /nfs/dbraw/zinc/17/53/66/180175366.db2.gz AMQDGMKBOUZJNU-MRXNPFEDSA-N 1 0 279.380 2.301 10 0 CEAERO CCC[NH2+]C[C@@H](O)Cc1ccn(C(CC)CC)n1 ZINC000091465917 180163824 /nfs/dbraw/zinc/16/38/24/180163824.db2.gz SJJXXSNZEDDKRO-AWEZNQCLSA-N 1 0 253.390 2.147 10 0 CEAERO CCn1nc(C[C@@H](O)C[NH2+]CC(C)C)c2ccccc21 ZINC000091468028 180164156 /nfs/dbraw/zinc/16/41/56/180164156.db2.gz HWIXZCGZKYEAMQ-CYBMUJFWSA-N 1 0 275.396 2.205 10 0 CEAERO COc1c(C)c[nH+]c(C[C@@](C)(O)CC(OC)OC)c1C ZINC000091466687 180164296 /nfs/dbraw/zinc/16/42/96/180164296.db2.gz KJTIUAQMPRKATM-OAHLLOKOSA-N 1 0 283.368 2.010 10 0 CEAERO COc1ccc([C@@](C)(O)CC[NH2+]C(C)C)cc1F ZINC000091467207 180164435 /nfs/dbraw/zinc/16/44/35/180164435.db2.gz JPFXSHKOLBWVMQ-AWEZNQCLSA-N 1 0 255.333 2.430 10 0 CEAERO CN(CC1CC([NH3+])C1)C(=O)c1nccc2ccccc21 ZINC000091470845 180164831 /nfs/dbraw/zinc/16/48/31/180164831.db2.gz NQVBKZFZWMWKLU-UHFFFAOYSA-N 1 0 269.348 2.044 10 0 CEAERO COc1ccc([C@@](C)(O)CC[NH2+]C(C)C)cc1OC ZINC000091469667 180164886 /nfs/dbraw/zinc/16/48/86/180164886.db2.gz FYEKVZYIMDRKCK-HNNXBMFYSA-N 1 0 267.369 2.299 10 0 CEAERO Cc1ccc(C[C@@H]([NH3+])c2ccc3c(c2)OCO3)nc1 ZINC000091385169 180143653 /nfs/dbraw/zinc/14/36/53/180143653.db2.gz LKTDDWLAMHITGB-CYBMUJFWSA-N 1 0 256.305 2.361 10 0 CEAERO Cc1ccc(C(=O)CN2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091395571 180146519 /nfs/dbraw/zinc/14/65/19/180146519.db2.gz FZXPEEIUDNTIPJ-HNNXBMFYSA-N 1 0 260.381 2.204 10 0 CEAERO O=C1N(Cc2cccc(Cl)c2)CCN1C1CC[NH2+]CC1 ZINC000091500806 180174727 /nfs/dbraw/zinc/17/47/27/180174727.db2.gz IXGZPMAZOYYXJK-UHFFFAOYSA-N 1 0 293.798 2.330 10 0 CEAERO CC(C)[C@@H](NC(=O)C1C[NH2+]C1)c1ccc(Cl)cc1 ZINC000091406449 180147739 /nfs/dbraw/zinc/14/77/39/180147739.db2.gz MOGLLWMOZCMXPG-CYBMUJFWSA-N 1 0 266.772 2.373 10 0 CEAERO c1ncc(C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)o1 ZINC000091415111 180148951 /nfs/dbraw/zinc/14/89/51/180148951.db2.gz MXXVAJWIKCWLOC-OAHLLOKOSA-N 1 0 271.364 2.429 10 0 CEAERO COc1ccc([C@H](C)[NH2+]CC2CC(O)C2)c(F)c1 ZINC000091415519 180149424 /nfs/dbraw/zinc/14/94/24/180149424.db2.gz PMFXAZFTMCDFKS-WHXUTIOJSA-N 1 0 253.317 2.256 10 0 CEAERO CC(C)[NH2+]Cc1cncc(N(C)CCC(F)(F)F)n1 ZINC000091422101 180151366 /nfs/dbraw/zinc/15/13/66/180151366.db2.gz IISOBPXYFQHRNJ-UHFFFAOYSA-N 1 0 276.306 2.363 10 0 CEAERO CC(C)C[NH2+]Cc1cncc(OCC(F)(F)F)n1 ZINC000091422751 180151503 /nfs/dbraw/zinc/15/15/03/180151503.db2.gz XRCSPNLTBWJYNE-UHFFFAOYSA-N 1 0 263.263 2.163 10 0 CEAERO Cc1ncn(-c2cncc(C[NH2+]CC(C)C)n2)c1C ZINC000091422491 180151513 /nfs/dbraw/zinc/15/15/13/180151513.db2.gz HMFGMBTYYWFNRU-UHFFFAOYSA-N 1 0 259.357 2.025 10 0 CEAERO C[C@H]([NH2+]C1CC(O)C1)c1ccc2c(c1)OCCCO2 ZINC000091426390 180152197 /nfs/dbraw/zinc/15/21/97/180152197.db2.gz NSMPZBTZMXJVFB-PKSQDBQZSA-N 1 0 263.337 2.022 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H]([NH+](C)C)C2)o1 ZINC000105087010 186040420 /nfs/dbraw/zinc/04/04/20/186040420.db2.gz WTDGMGVMLGARLE-QWHCGFSZSA-N 1 0 279.384 2.385 10 0 CEAERO CCn1ccnc1[C@H](NC)C(C)(C)[NH+]1CCCCC1 ZINC000091564922 180193459 /nfs/dbraw/zinc/19/34/59/180193459.db2.gz IRBCHXFXHNJZCF-ZDUSSCGKSA-N 1 0 264.417 2.428 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)NC[C@H](C)[N@H+](C)C2CC2)o1 ZINC000105087032 186041334 /nfs/dbraw/zinc/04/13/34/186041334.db2.gz IADNSBCEAPFQJA-JQWIXIFHSA-N 1 0 279.384 2.431 10 0 CEAERO Cc1ccc([C@@H]([NH3+])C(C)(C)N2CCOCC2)s1 ZINC000091566412 180194016 /nfs/dbraw/zinc/19/40/16/180194016.db2.gz CPRAXWAIHXZMAR-GFCCVEGCSA-N 1 0 254.399 2.167 10 0 CEAERO CC(C)([C@H]([NH3+])c1cccc(Cl)c1)N1CCOCC1 ZINC000091566239 180194040 /nfs/dbraw/zinc/19/40/40/180194040.db2.gz LQZHUGJSOPTLDB-CYBMUJFWSA-N 1 0 268.788 2.451 10 0 CEAERO Cc1cc([C@H]([NH3+])C(C)(C)N2CCOCC2)cs1 ZINC000091566277 180194255 /nfs/dbraw/zinc/19/42/55/180194255.db2.gz MHYIWXIQUHNILN-LBPRGKRZSA-N 1 0 254.399 2.167 10 0 CEAERO CCC[NH2+][C@H](Cc1ccccn1)C(C)(C)N1CCOCC1 ZINC000091567079 180194530 /nfs/dbraw/zinc/19/45/30/180194530.db2.gz WDSSFQFOLBJKNL-MRXNPFEDSA-N 1 0 291.439 2.103 10 0 CEAERO CC(C)([C@H](N)C1CCOCC1)[NH+]1CCCCCC1 ZINC000091567778 180194547 /nfs/dbraw/zinc/19/45/47/180194547.db2.gz DIUQDXMUVRATTO-CQSZACIVSA-N 1 0 254.418 2.395 10 0 CEAERO CC[NH2+][C@H](Cc1csc(C)n1)C(C)(C)N1CCOCC1 ZINC000091566937 180194890 /nfs/dbraw/zinc/19/48/90/180194890.db2.gz ZCTPSJNGOLZECQ-CQSZACIVSA-N 1 0 297.468 2.083 10 0 CEAERO C[NH2+][C@H](CCc1ccccc1)C(C)(C)N1CCOCC1 ZINC000091566742 180195083 /nfs/dbraw/zinc/19/50/83/180195083.db2.gz ZOMGGKAYSQPMAA-MRXNPFEDSA-N 1 0 276.424 2.318 10 0 CEAERO CC[NH2+][C@H](c1cnccc1N)[C@@](C)(CC)N(C)C ZINC000091571209 180195304 /nfs/dbraw/zinc/19/53/04/180195304.db2.gz WNNFZCXFRMDGGQ-ZIAGYGMSSA-N 1 0 250.390 2.045 10 0 CEAERO CC[C@](C)([C@@H](O)Cc1ccncc1Cl)[NH+](C)C ZINC000091569159 180195737 /nfs/dbraw/zinc/19/57/37/180195737.db2.gz KPJDWLSZQBTKIU-QWHCGFSZSA-N 1 0 256.777 2.369 10 0 CEAERO CCCn1cc([C@H]([NH2+]C)[C@](C)(CC)N(C)C)cn1 ZINC000091570778 180195911 /nfs/dbraw/zinc/19/59/11/180195911.db2.gz KFFONBNOGOVLJY-KBPBESRZSA-N 1 0 252.406 2.284 10 0 CEAERO CC[NH2+][C@H](c1cccnc1N)[C@](C)(CC)N(C)C ZINC000091571632 180196052 /nfs/dbraw/zinc/19/60/52/180196052.db2.gz YNGSSRXCPNAAAU-OCCSQVGLSA-N 1 0 250.390 2.045 10 0 CEAERO CCC[C@H]([NH2+][C@@H]1CC(=O)N(CC)C1=O)c1cccs1 ZINC000105101667 186041897 /nfs/dbraw/zinc/04/18/97/186041897.db2.gz WANFIALEPDTPNJ-WDEREUQCSA-N 1 0 280.393 2.326 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@@H](NC)c1cnn(C)c1 ZINC000091599621 180202622 /nfs/dbraw/zinc/20/26/22/180202622.db2.gz UKFSGCVMTOLWKJ-KBPBESRZSA-N 1 0 252.406 2.191 10 0 CEAERO CC[C@](C)([C@H](N)c1cc(C)cnc1N)[NH+]1CCCC1 ZINC000091604818 180204464 /nfs/dbraw/zinc/20/44/64/180204464.db2.gz LSZWFGRIHFACPZ-UKRRQHHQSA-N 1 0 262.401 2.237 10 0 CEAERO CC[C@](C)([C@@H]([NH2+]C)c1cncnc1)N1CCCCC1 ZINC000091609656 180205172 /nfs/dbraw/zinc/20/51/72/180205172.db2.gz WACQUKVVJCWXCL-LSDHHAIUSA-N 1 0 262.401 2.392 10 0 CEAERO CC[C@@](C)([C@H](O)c1ccnn1C)[NH+]1CCCCC1 ZINC000091608877 180205881 /nfs/dbraw/zinc/20/58/81/180205881.db2.gz OQXGBQGCBRGQDF-KGLIPLIRSA-N 1 0 251.374 2.108 10 0 CEAERO CC[C@@](C)([C@H]([NH3+])Cc1cc(F)ccc1F)N1CCOCC1 ZINC000091611913 180206368 /nfs/dbraw/zinc/20/63/68/180206368.db2.gz OJRORCNOYJXFGD-CVEARBPZSA-N 1 0 298.377 2.336 10 0 CEAERO CC[NH2+][C@H](Cc1ccccn1)[C@](C)(CC)N1CCOCC1 ZINC000091612777 180207103 /nfs/dbraw/zinc/20/71/03/180207103.db2.gz HYZJOVXVJSFICE-SJORKVTESA-N 1 0 291.439 2.103 10 0 CEAERO CC[NH2+][C@H](Cc1ccncc1)[C@@](C)(CC)N1CCOCC1 ZINC000091613010 180207166 /nfs/dbraw/zinc/20/71/66/180207166.db2.gz HGDNPNWWKVGCGO-IAGOWNOFSA-N 1 0 291.439 2.103 10 0 CEAERO CCCn1cc([C@@H]([NH2+]C)[C@](C)(CC)N2CCOCC2)cn1 ZINC000091612656 180207239 /nfs/dbraw/zinc/20/72/39/180207239.db2.gz NMAPJODUBDSNPG-CVEARBPZSA-N 1 0 294.443 2.055 10 0 CEAERO CCCn1ccnc1[C@H](O)C(CC)(CC)[NH+](C)C ZINC000091613753 180207849 /nfs/dbraw/zinc/20/78/49/180207849.db2.gz PWJIULDYVIAGOF-LBPRGKRZSA-N 1 0 253.390 2.447 10 0 CEAERO CCn1nc(C)cc1CC(=O)C(CC)(CC)[NH+](C)C ZINC000091613371 180208006 /nfs/dbraw/zinc/20/80/06/180208006.db2.gz YFMLHMWKCRCGDJ-UHFFFAOYSA-N 1 0 265.401 2.443 10 0 CEAERO CCc1cc(C[C@@H]([NH2+]C)C(CC)(CC)N(C)C)n(C)n1 ZINC000091614453 180208193 /nfs/dbraw/zinc/20/81/93/180208193.db2.gz QJBUIFBARBOXPV-OAHLLOKOSA-N 1 0 280.460 2.233 10 0 CEAERO Cc1cc(F)cc(N[C@@]2(CO)CCC[N@@H+](C)CC2)c1 ZINC000091518419 180177374 /nfs/dbraw/zinc/17/73/74/180177374.db2.gz NVRSYHVVMROPPY-HNNXBMFYSA-N 1 0 266.360 2.393 10 0 CEAERO CCc1ccc([C@@](C)(O)CC[NH2+]CCOC)cc1 ZINC000091519490 180178222 /nfs/dbraw/zinc/17/82/22/180178222.db2.gz LSZPFNRULLVHEM-HNNXBMFYSA-N 1 0 251.370 2.083 10 0 CEAERO [NH3+]C1CC(CNC(=O)c2ccc3ccccc3c2)C1 ZINC000091524775 180178902 /nfs/dbraw/zinc/17/89/02/180178902.db2.gz QHXCZLBAJMLKBU-UHFFFAOYSA-N 1 0 254.333 2.307 10 0 CEAERO COc1ccc(OC)c([C@H](O)C(C)(C)[NH+](C)C)c1 ZINC000091528322 180179544 /nfs/dbraw/zinc/17/95/44/180179544.db2.gz PLMLXGAYPBFCFZ-ZDUSSCGKSA-N 1 0 253.342 2.077 10 0 CEAERO C[NH+](C)C(C)(C)[C@H](O)c1ccc2c(c1)OCCCO2 ZINC000091528329 180179705 /nfs/dbraw/zinc/17/97/05/180179705.db2.gz DHKLSGAGAZFMNB-CQSZACIVSA-N 1 0 265.353 2.222 10 0 CEAERO CC[C@H](C)n1ccc(C[C@@H](O)C(C)(C)[NH+](C)C)n1 ZINC000091528198 180179972 /nfs/dbraw/zinc/17/99/72/180179972.db2.gz AZFJNLAJCQMKHV-WCQYABFASA-N 1 0 253.390 2.098 10 0 CEAERO CC[NH+](CC)C(C)(C)[C@@H](O)c1cc(Cl)cnc1N ZINC000091529933 180180262 /nfs/dbraw/zinc/18/02/62/180180262.db2.gz RQZOSYTVNNFOGV-NSHDSACASA-N 1 0 271.792 2.471 10 0 CEAERO CC[NH2+][C@@H](Cc1cc(C)nn1C)C(C)(C)N(CC)CC ZINC000091531603 180180970 /nfs/dbraw/zinc/18/09/70/180180970.db2.gz NGECLXHZDHSNDG-HNNXBMFYSA-N 1 0 280.460 2.370 10 0 CEAERO CCCn1nccc1[C@H](N)C(C)(C)[NH+]1CCCC1 ZINC000091533822 180181200 /nfs/dbraw/zinc/18/12/00/180181200.db2.gz ZGMYXAOZJJRIEI-ZDUSSCGKSA-N 1 0 250.390 2.167 10 0 CEAERO C[NH2+][C@@H](Cc1c(Cl)c(C)nn1C)C(C)(C)N1CCCC1 ZINC000091534401 180181238 /nfs/dbraw/zinc/18/12/38/180181238.db2.gz PGGQUWATZQFINS-ZDUSSCGKSA-N 1 0 298.862 2.387 10 0 CEAERO Cc1nc(C[C@@H]([NH3+])C(C)(C)N2CCCC2)cs1 ZINC000091533950 180181393 /nfs/dbraw/zinc/18/13/93/180181393.db2.gz OIHAGSVVHRRPCC-GFCCVEGCSA-N 1 0 253.415 2.196 10 0 CEAERO CCc1nn(C)c(C[C@@H]([NH3+])C(C)(C)N2CCCC2)c1Cl ZINC000091533758 180181418 /nfs/dbraw/zinc/18/14/18/180181418.db2.gz RRORIIPVIRONTP-CYBMUJFWSA-N 1 0 298.862 2.380 10 0 CEAERO CCC[NH2+][C@H](Cc1cnn(C)c1)C(C)(C)N(CC)CC ZINC000091532014 180181527 /nfs/dbraw/zinc/18/15/27/180181527.db2.gz FOORMSIHWQVYGU-OAHLLOKOSA-N 1 0 280.460 2.451 10 0 CEAERO CC[NH2+][C@H](c1cc(C)cnc1N)C(C)(C)N1CCCC1 ZINC000091535220 180182185 /nfs/dbraw/zinc/18/21/85/180182185.db2.gz BQPCJKHVJXARFW-CQSZACIVSA-N 1 0 276.428 2.497 10 0 CEAERO CC[NH2+][C@@H](Cc1cc(CC)nn1C)C(C)(C)N1CCCC1 ZINC000091535599 180182206 /nfs/dbraw/zinc/18/22/06/180182206.db2.gz BCZHKBIKQNULCS-INIZCTEOSA-N 1 0 292.471 2.378 10 0 CEAERO CCCn1cc([C@@H]([NH2+]C)C(C)(C)N2CCCC2)cn1 ZINC000091534847 180182506 /nfs/dbraw/zinc/18/25/06/180182506.db2.gz KFEAPTNSSZXMMH-CQSZACIVSA-N 1 0 264.417 2.428 10 0 CEAERO Cc1ccc(-c2nnco2)cc1NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091545800 180186584 /nfs/dbraw/zinc/18/65/84/180186584.db2.gz OQZLKSSWGYBOMF-CMPLNLGQSA-N 1 0 286.335 2.111 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](C(=O)N(Cc2ccco2)CC(F)(F)F)C1 ZINC000091546300 180186887 /nfs/dbraw/zinc/18/68/87/180186887.db2.gz KSNCEBJHWMGFCJ-NXEZZACHSA-N 1 0 290.285 2.298 10 0 CEAERO Cc1cc(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)sc1C ZINC000091549147 180188476 /nfs/dbraw/zinc/18/84/76/180188476.db2.gz BCYCSRXSNPUEJA-WDEREUQCSA-N 1 0 252.383 2.109 10 0 CEAERO CCC(CC)(C(=O)Cc1cnn(C)c1)[NH+]1CCCC1 ZINC000091634232 180210492 /nfs/dbraw/zinc/21/04/92/180210492.db2.gz LDILFLXMGDTIGF-UHFFFAOYSA-N 1 0 263.385 2.186 10 0 CEAERO C[NH+](C)C1([C@H](N)c2cc(Cl)cnc2N)CCCC1 ZINC000091637179 180210831 /nfs/dbraw/zinc/21/08/31/180210831.db2.gz IYAYFXXLRHGCRX-LLVKDONJSA-N 1 0 268.792 2.191 10 0 CEAERO CC[NH+](CC)C1([C@@H](N)c2cccnc2N)CCCC1 ZINC000091639375 180212650 /nfs/dbraw/zinc/21/26/50/180212650.db2.gz DZVRJMOSTQSDBP-ZDUSSCGKSA-N 1 0 262.401 2.318 10 0 CEAERO CC[NH2+][C@H](c1cnn(CC)c1)C1(N(C)C)CCCC1 ZINC000091638156 180212716 /nfs/dbraw/zinc/21/27/16/180212716.db2.gz HPQCEEJILCZIST-CQSZACIVSA-N 1 0 264.417 2.428 10 0 CEAERO O[C@@H]([C@H]1CCOC1)C1([NH+]2CCCCC2)CCCC1 ZINC000091641540 180213530 /nfs/dbraw/zinc/21/35/30/180213530.db2.gz FGQPYFLDFUHUPC-KBPBESRZSA-N 1 0 253.386 2.183 10 0 CEAERO [NH3+][C@@H](Cc1cccs1)C1(N2CCOCC2)CCCC1 ZINC000091642963 180213942 /nfs/dbraw/zinc/21/39/42/180213942.db2.gz XKUMCDBBYMFZNZ-AWEZNQCLSA-N 1 0 280.437 2.263 10 0 CEAERO CC[NH2+][C@@H](C1CC1)C1(N2CCOCC2)CCCC1 ZINC000091646295 180215306 /nfs/dbraw/zinc/21/53/06/180215306.db2.gz AVMIZQRELYJZHG-AWEZNQCLSA-N 1 0 252.402 2.020 10 0 CEAERO CCn1cc([C@@H](N)C2([NH+](C)C)CCCCC2)cn1 ZINC000091647281 180215573 /nfs/dbraw/zinc/21/55/73/180215573.db2.gz XDTYFVDTEFLIEJ-CYBMUJFWSA-N 1 0 250.390 2.167 10 0 CEAERO C[C@H]1CCC[C@](C(=O)Cc2cnn(C)c2)([NH+](C)C)C1 ZINC000091650066 180216119 /nfs/dbraw/zinc/21/61/19/180216119.db2.gz APHHWEUBSMYUPM-WFASDCNBSA-N 1 0 263.385 2.042 10 0 CEAERO C[C@@H]1CCC[C@@](C(=O)Cc2ccnc(N)c2)([NH+](C)C)C1 ZINC000091649788 180216448 /nfs/dbraw/zinc/21/64/48/180216448.db2.gz SGUTYDHLLZCSJA-MLGOLLRUSA-N 1 0 275.396 2.286 10 0 CEAERO C[NH2+][C@H](c1cnccn1)[C@@]1(N(C)C)CCC[C@@H](C)C1 ZINC000091652599 180217234 /nfs/dbraw/zinc/21/72/34/180217234.db2.gz RORGFHMMQOWEIB-BPLDGKMQSA-N 1 0 262.401 2.248 10 0 CEAERO Cc1cc(CC(=O)C2([NH+](C)C)CCCCCC2)n(C)n1 ZINC000091653535 180217376 /nfs/dbraw/zinc/21/73/76/180217376.db2.gz SBBSFSWAHIDOGK-UHFFFAOYSA-N 1 0 277.412 2.495 10 0 CEAERO CCn1cc(C[C@@H](N)C2([NH+](C)C)CCCCCC2)cn1 ZINC000091654138 180217466 /nfs/dbraw/zinc/21/74/66/180217466.db2.gz FIJNLIJIYPXNEO-OAHLLOKOSA-N 1 0 278.444 2.427 10 0 CEAERO C[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091662600 180219483 /nfs/dbraw/zinc/21/94/83/180219483.db2.gz DDIUBLWVRKANAS-DJIMGWMZSA-N 1 0 274.408 2.070 10 0 CEAERO C[NH2+][C@@H](c1ccc2ccccc2c1)[C@H]1CN(C)CCO1 ZINC000091717573 180232806 /nfs/dbraw/zinc/23/28/06/180232806.db2.gz VCTHAAQHYGMVQP-SJORKVTESA-N 1 0 270.376 2.431 10 0 CEAERO CC[NH2+][C@@H](c1ccc(F)cc1C)[C@H]1CN(C)CCO1 ZINC000091718716 180233211 /nfs/dbraw/zinc/23/32/11/180233211.db2.gz ZBAYTFDSEJKCDT-CABCVRRESA-N 1 0 266.360 2.115 10 0 CEAERO CC[NH2+][C@@H](c1cncc2ccccc21)[C@@H]1CN(C)CCO1 ZINC000091718898 180233327 /nfs/dbraw/zinc/23/33/27/180233327.db2.gz VYOAUZZVJRMOPO-IRXDYDNUSA-N 1 0 285.391 2.216 10 0 CEAERO C[NH2+][C@H](Cc1ccc(OC(F)(F)F)cc1)CN(C)C ZINC000091719675 180234102 /nfs/dbraw/zinc/23/41/02/180234102.db2.gz BFBGSUYLBFWOEA-LLVKDONJSA-N 1 0 276.302 2.277 10 0 CEAERO [NH3+][C@H](c1ccc(Cl)cc1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091720808 180234966 /nfs/dbraw/zinc/23/49/66/180234966.db2.gz ZNZWZHFEVDJQEP-MGPQQGTHSA-N 1 0 266.772 2.203 10 0 CEAERO CCCOc1ccc([C@H]([NH3+])[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000091720723 180235677 /nfs/dbraw/zinc/23/56/77/180235677.db2.gz BLJCRWMYGHFWMM-OIISXLGYSA-N 1 0 290.407 2.338 10 0 CEAERO CCC[NH2+][C@H](Cc1ccc(F)cc1F)CN(C)C ZINC000091720091 180236846 /nfs/dbraw/zinc/23/68/46/180236846.db2.gz JMYDXYYMKJUMFN-CYBMUJFWSA-N 1 0 256.340 2.437 10 0 CEAERO C[NH2+][C@H](Cc1ccc(C)c(C)c1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721221 180237566 /nfs/dbraw/zinc/23/75/66/180237566.db2.gz MABHZANJDHUVTA-KURKYZTESA-N 1 0 288.435 2.297 10 0 CEAERO C[NH2+][C@H](CCc1ccsc1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721259 180238423 /nfs/dbraw/zinc/23/84/23/180238423.db2.gz MKVNPEQUQIXYGC-RBSFLKMASA-N 1 0 280.437 2.132 10 0 CEAERO C[C@H]([NH2+]C[C@H]1CCO[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000235528163 539778263 /nfs/dbraw/zinc/77/82/63/539778263.db2.gz HGGBUFURTZREAR-OUCADQQQSA-N 1 0 297.420 2.166 10 0 CEAERO CCc1ccc(C(=O)N2CCC[C@H]2[C@@H]2CCC[NH2+]2)o1 ZINC000091762531 180248504 /nfs/dbraw/zinc/24/85/04/180248504.db2.gz GGMAEVUZMYECLX-STQMWFEESA-N 1 0 262.353 2.199 10 0 CEAERO COC[C@H](C)[N@H+](C)[C@@H](C)c1ccc(C(=O)OC)o1 ZINC000091781327 180253997 /nfs/dbraw/zinc/25/39/97/180253997.db2.gz UMAFCQDMWJLODD-UWVGGRQHSA-N 1 0 255.314 2.094 10 0 CEAERO Cc1nn(C)c(Cn2cccc2[C@@H](C)[NH3+])c1Cl ZINC000091800202 180258743 /nfs/dbraw/zinc/25/87/43/180258743.db2.gz PIJQJSFUQHJKJZ-MRVPVSSYSA-N 1 0 252.749 2.251 10 0 CEAERO COc1ccccc1NC(=O)Cn1cccc1[C@@H](C)[NH3+] ZINC000091799835 180258790 /nfs/dbraw/zinc/25/87/90/180258790.db2.gz MAYBZRJUNRQJTE-LLVKDONJSA-N 1 0 273.336 2.155 10 0 CEAERO C[NH2+][C@H](C)c1cccn1CC(=O)NC1CCCCC1 ZINC000091800452 180258875 /nfs/dbraw/zinc/25/88/75/180258875.db2.gz NKWGCBBEVORZDG-GFCCVEGCSA-N 1 0 263.385 2.217 10 0 CEAERO CCC[NH2+][C@H](c1ccco1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091722197 180241008 /nfs/dbraw/zinc/24/10/08/180241008.db2.gz SPQRLIKXOZTZTL-VHDGCEQUSA-N 1 0 264.369 2.184 10 0 CEAERO CN1CCO[C@H](c2nc(-c3ccc(C[NH3+])cc3)cs2)C1 ZINC000091723964 180241774 /nfs/dbraw/zinc/24/17/74/180241774.db2.gz QUXVADIRKUWIJJ-AWEZNQCLSA-N 1 0 289.404 2.272 10 0 CEAERO CCCN(c1ncnc(OC)c1C)C1CCC([NH3+])CC1 ZINC000091852677 180273121 /nfs/dbraw/zinc/27/31/21/180273121.db2.gz SKYHRRXQODMDSA-UHFFFAOYSA-N 1 0 278.400 2.280 10 0 CEAERO COc1ccc(NC(=O)Cn2ccc([C@H](C)[NH3+])c2)cc1 ZINC000091803556 180260171 /nfs/dbraw/zinc/26/01/71/180260171.db2.gz ZNUOZZYDNAFLPR-NSHDSACASA-N 1 0 273.336 2.155 10 0 CEAERO CCC[C@H]([NH3+])c1ccn(CC(=O)NCCC(C)C)c1 ZINC000091820973 180264000 /nfs/dbraw/zinc/26/40/00/180264000.db2.gz XLLQGFNOFZLGRY-AWEZNQCLSA-N 1 0 265.401 2.450 10 0 CEAERO CCC[NH2+][C@H](c1ccn(C[C@H](C)C(N)=O)c1)C(C)C ZINC000091828194 180264473 /nfs/dbraw/zinc/26/44/73/180264473.db2.gz QEMDEJXLWLXXLO-JSGCOSHPSA-N 1 0 265.401 2.306 10 0 CEAERO CCNC(=O)CCn1ccc([C@@H]([NH2+]CC)C(C)C)c1 ZINC000091827845 180264701 /nfs/dbraw/zinc/26/47/01/180264701.db2.gz CMOXBONBIQKAKC-HNNXBMFYSA-N 1 0 265.401 2.321 10 0 CEAERO CC[NH2+][C@H](c1ccn(CC(=O)NC(C)C)c1)C1CC1 ZINC000091837809 180267885 /nfs/dbraw/zinc/26/78/85/180267885.db2.gz WHFIQMGRRGTRDB-HNNXBMFYSA-N 1 0 263.385 2.073 10 0 CEAERO CC[NH2+][C@H](c1ccn(CCCC(=O)NC)c1)C1CC1 ZINC000091837930 180268183 /nfs/dbraw/zinc/26/81/83/180268183.db2.gz ITBCRSUTWOPNPZ-HNNXBMFYSA-N 1 0 263.385 2.075 10 0 CEAERO CC[NH2+][C@H](c1ccn(CC(=O)N(CC)CC)c1)C1CC1 ZINC000091837765 180268224 /nfs/dbraw/zinc/26/82/24/180268224.db2.gz UWJIJRBHDBGFPI-INIZCTEOSA-N 1 0 277.412 2.417 10 0 CEAERO C[C@H](CO)C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000091842977 180268990 /nfs/dbraw/zinc/26/89/90/180268990.db2.gz RIVJYWMGDCZTHV-HIFPTAJRSA-N 1 0 286.416 2.040 10 0 CEAERO CN(c1ncnc2ccsc21)C1CCC([NH3+])CC1 ZINC000091849487 180271369 /nfs/dbraw/zinc/27/13/69/180271369.db2.gz ACRHBFXJCKBTHA-UHFFFAOYSA-N 1 0 262.382 2.397 10 0 CEAERO CC[C@H]1CCC[C@](C[NH3+])(C2(O)CCC(=O)CC2)C1 ZINC000091924628 180287652 /nfs/dbraw/zinc/28/76/52/180287652.db2.gz GTAALNJZFYAZLA-JSGCOSHPSA-N 1 0 253.386 2.406 10 0 CEAERO [NH3+]C[C@@]1([C@@H](O)c2cncn2C2CC2)CCc2ccccc21 ZINC000091926587 180287753 /nfs/dbraw/zinc/28/77/53/180287753.db2.gz JXEOMERSFGNWPC-IRXDYDNUSA-N 1 0 283.375 2.094 10 0 CEAERO C[C@]1(c2nc3ccc(F)cc3s2)COC[C@H]1[NH3+] ZINC000091939627 180289188 /nfs/dbraw/zinc/28/91/88/180289188.db2.gz SAMKPPORSFOBGZ-PWSUYJOCSA-N 1 0 252.314 2.051 10 0 CEAERO C[C@@H]1CCC[C@@](C[NH3+])(N(C)C(=O)N2CCCC2)C1 ZINC000091963092 180293278 /nfs/dbraw/zinc/29/32/78/180293278.db2.gz HJZASERWKODHAI-TZMCWYRMSA-N 1 0 253.390 2.042 10 0 CEAERO C[NH2+]C1CCC(N(C)c2ccccc2S(C)(=O)=O)CC1 ZINC000091870909 180277573 /nfs/dbraw/zinc/27/75/73/180277573.db2.gz QAJXJXUPPFVUPK-UHFFFAOYSA-N 1 0 296.436 2.057 10 0 CEAERO CCCN(C(=O)N1CCCCCC1)C(C)(C)C[NH3+] ZINC000091971122 180295028 /nfs/dbraw/zinc/29/50/28/180295028.db2.gz RGYSUXJVVCUDIR-UHFFFAOYSA-N 1 0 255.406 2.432 10 0 CEAERO NC(=[NH2+])c1c(F)cccc1NC(=O)N1CCCCC1 ZINC000091969857 180295035 /nfs/dbraw/zinc/29/50/35/180295035.db2.gz JWSABMJCAKRTTM-UHFFFAOYSA-N 1 0 264.304 2.128 10 0 CEAERO CCCN(C(=O)N1CCCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000091971170 180295042 /nfs/dbraw/zinc/29/50/42/180295042.db2.gz PKHYKIXPPDHLEP-CQSZACIVSA-N 1 0 267.417 2.446 10 0 CEAERO COc1ccc([C@H](O)C2(C[NH3+])CCCC2)c(OC)c1 ZINC000091909615 180284555 /nfs/dbraw/zinc/28/45/55/180284555.db2.gz OPEWZPAPXCZUHM-AWEZNQCLSA-N 1 0 265.353 2.256 10 0 CEAERO CC[C@@](C)(C[NH3+])[C@@H](O)c1c(OC)cc(OC)cc1OC ZINC000091909149 180284566 /nfs/dbraw/zinc/28/45/66/180284566.db2.gz DJJOQWCUMOEYIO-GJZGRUSLSA-N 1 0 283.368 2.121 10 0 CEAERO CC[C@](C)(C[NH3+])[C@@H](O)c1c(OC)cc(OC)cc1OC ZINC000091909150 180284881 /nfs/dbraw/zinc/28/48/81/180284881.db2.gz DJJOQWCUMOEYIO-LSDHHAIUSA-N 1 0 283.368 2.121 10 0 CEAERO [NH3+]C[C@]1([C@H](O)c2ccc(C(F)(F)F)cc2)CCOC1 ZINC000091910554 180285132 /nfs/dbraw/zinc/28/51/32/180285132.db2.gz MJMBLERZLNWOPI-VXGBXAGGSA-N 1 0 275.270 2.104 10 0 CEAERO [NH3+]C[C@@]1([C@H](O)c2cccs2)COc2ccccc2C1 ZINC000091910098 180285181 /nfs/dbraw/zinc/28/51/81/180285181.db2.gz ZGJPXSNVYGHKHV-HUUCEWRRSA-N 1 0 275.373 2.362 10 0 CEAERO CCC1CCC(C[NH3+])([C@H](O)C2CCOCC2)CC1 ZINC000091913504 180285196 /nfs/dbraw/zinc/28/51/96/180285196.db2.gz WBABURMEZZRIQV-HNFVBEJKSA-N 1 0 255.402 2.319 10 0 CEAERO [NH3+]CC1([C@@H](O)c2ccccc2C(F)(F)F)CCOCC1 ZINC000091910873 180285214 /nfs/dbraw/zinc/28/52/14/180285214.db2.gz ULLPOZKYTPXMKJ-LBPRGKRZSA-N 1 0 289.297 2.494 10 0 CEAERO CN1CCc2cc([C@@H](O)C3(C[NH3+])CCCC3)ccc21 ZINC000091913364 180285241 /nfs/dbraw/zinc/28/52/41/180285241.db2.gz DERCTPWWWJYELW-OAHLLOKOSA-N 1 0 260.381 2.231 10 0 CEAERO CCC(CC)[C@H](O)[C@@]1(C[NH3+])CCOc2ccccc21 ZINC000091911265 180285244 /nfs/dbraw/zinc/28/52/44/180285244.db2.gz NETSWHVAHOWGME-JKSUJKDBSA-N 1 0 263.381 2.463 10 0 CEAERO COc1ccc([C@@H](O)C(C)(C)C[NH3+])c(Cl)c1OC ZINC000091912681 180285388 /nfs/dbraw/zinc/28/53/88/180285388.db2.gz HZYAZTCTSVQIQQ-GFCCVEGCSA-N 1 0 273.760 2.376 10 0 CEAERO C[C@@H]1C[C@@](O)(C2(C[NH3+])CCC(C)(C)CC2)CCO1 ZINC000091918403 180286730 /nfs/dbraw/zinc/28/67/30/180286730.db2.gz WMQBOEOWCDXWKN-IUODEOHRSA-N 1 0 255.402 2.462 10 0 CEAERO CCC[NH2+]Cc1cc(C)ccc1OC[C@@H]1CN(C)CCO1 ZINC000092054615 180313656 /nfs/dbraw/zinc/31/36/56/180313656.db2.gz UQWJEWPAKYOTNV-INIZCTEOSA-N 1 0 292.423 2.204 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccccc1OC[C@@H]1CN(C)CCO1 ZINC000092054211 180314025 /nfs/dbraw/zinc/31/40/25/180314025.db2.gz VRHPABBOFRMHBI-GJZGRUSLSA-N 1 0 292.423 2.457 10 0 CEAERO CN1CCO[C@H](COc2ccccc2C[NH2+]C(C)(C)C)C1 ZINC000092054509 180314299 /nfs/dbraw/zinc/31/42/99/180314299.db2.gz PUIZUWGZKDZKHO-HNNXBMFYSA-N 1 0 292.423 2.284 10 0 CEAERO C[NH2+][C@H](C)c1cc(Cl)ccc1OC[C@@H]1CN(C)CCO1 ZINC000092054411 180314683 /nfs/dbraw/zinc/31/46/83/180314683.db2.gz SEFSREZQGYWUGJ-YPMHNXCESA-N 1 0 298.814 2.330 10 0 CEAERO O=C(N1CCC[C@@H]1C1CC[NH2+]CC1)N1CCCCCC1 ZINC000091971209 180295174 /nfs/dbraw/zinc/29/51/74/180295174.db2.gz NHDSXIWHRGGKHL-OAHLLOKOSA-N 1 0 279.428 2.446 10 0 CEAERO C[NH2+]C[C@@H]1CCCCN1C(=O)N1CCCCCC1 ZINC000091971602 180295412 /nfs/dbraw/zinc/29/54/12/180295412.db2.gz KYQZFOOBWLMWBW-ZDUSSCGKSA-N 1 0 253.390 2.056 10 0 CEAERO C[C@@H]1CCCN(C(=O)N(C)Cc2ccc(C[NH3+])cc2)C1 ZINC000091972706 180296254 /nfs/dbraw/zinc/29/62/54/180296254.db2.gz BMMSOXLIISAQPJ-CYBMUJFWSA-N 1 0 275.396 2.429 10 0 CEAERO CC1CCN(C(=O)N2[C@@H](C[NH3+])CCC[C@@H]2C)CC1 ZINC000091991219 180299857 /nfs/dbraw/zinc/29/98/57/180299857.db2.gz QNHIIFPCCALEJC-QWHCGFSZSA-N 1 0 253.390 2.040 10 0 CEAERO C[C@@H]1CCCN(C(=O)N2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000091990819 180299868 /nfs/dbraw/zinc/29/98/68/180299868.db2.gz VSKNVACINPOAQK-RDBSUJKOSA-N 1 0 265.401 2.055 10 0 CEAERO C[C@@H]1CCCN(C(=O)N[C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000091991061 180300060 /nfs/dbraw/zinc/30/00/60/180300060.db2.gz QOKYCNOSXSEJCV-AGIUHOORSA-N 1 0 253.390 2.088 10 0 CEAERO Cc1nonc1COc1ccc(C)nc1C[NH2+]CC(C)C ZINC000091996331 180301954 /nfs/dbraw/zinc/30/19/54/180301954.db2.gz RLOZYIUFCYEMCE-UHFFFAOYSA-N 1 0 290.367 2.406 10 0 CEAERO Cc1ccc(O[C@@H](C)C(=O)NC(C)C)c(C[NH2+]C(C)C)n1 ZINC000091995593 180302143 /nfs/dbraw/zinc/30/21/43/180302143.db2.gz VPYHUNJCBKNCEI-ZDUSSCGKSA-N 1 0 293.411 2.180 10 0 CEAERO CCC[NH2+]Cc1nc(C)ccc1OCC(C)(C)O ZINC000091995213 180302171 /nfs/dbraw/zinc/30/21/71/180302171.db2.gz UNIVZIIQJZUHGB-UHFFFAOYSA-N 1 0 252.358 2.039 10 0 CEAERO CCOC(=O)COc1ccc(C)nc1C[NH2+]C(C)(C)C ZINC000091996290 180302292 /nfs/dbraw/zinc/30/22/92/180302292.db2.gz NLZGCTIVPDIFCV-UHFFFAOYSA-N 1 0 280.368 2.220 10 0 CEAERO Cc1cc(COc2ccc(C)nc2C[C@@H](C)[NH3+])on1 ZINC000091999974 180303514 /nfs/dbraw/zinc/30/35/14/180303514.db2.gz AEUHTBIRMDRFOV-SECBINFHSA-N 1 0 261.325 2.155 10 0 CEAERO Cc1ccc(OCCOC(C)C)c(C[C@H](C)[NH3+])n1 ZINC000091999943 180303643 /nfs/dbraw/zinc/30/36/43/180303643.db2.gz QMNCNIMRQNGJJY-NSHDSACASA-N 1 0 252.358 2.084 10 0 CEAERO COc1ccc(C[NH2+]C[C@@H](C)N2CCCC2)cc1OC ZINC000092022020 180307579 /nfs/dbraw/zinc/30/75/79/180307579.db2.gz BRZJMPBAZAFFBA-CYBMUJFWSA-N 1 0 278.396 2.278 10 0 CEAERO Cc1cccc(C[N@@H+]2CCCN(c3cccnn3)CC2)c1 ZINC000105798715 186072075 /nfs/dbraw/zinc/07/20/75/186072075.db2.gz HULBUXFISKHLEZ-UHFFFAOYSA-N 1 0 282.391 2.497 10 0 CEAERO CCC[NH2+][C@H](c1cc(C)cnc1N)C(C)(C)OC ZINC000092140053 180333667 /nfs/dbraw/zinc/33/36/67/180333667.db2.gz ATJNYHXENZJYLT-GFCCVEGCSA-N 1 0 251.374 2.438 10 0 CEAERO CCC[NH2+][C@@H](Cc1ncnn1CC(C)C)C(C)(C)OC ZINC000092139846 180333773 /nfs/dbraw/zinc/33/37/73/180333773.db2.gz WHFCSACQOOVRRU-ZDUSSCGKSA-N 1 0 282.432 2.270 10 0 CEAERO COc1c(C)cnc(C[C@@H]([NH3+])C(C)(C)OC)c1C ZINC000092138636 180333856 /nfs/dbraw/zinc/33/38/56/180333856.db2.gz ICOAOEXERBSONU-GFCCVEGCSA-N 1 0 252.358 2.002 10 0 CEAERO C[NH2+]Cc1nc(C(C)C)ncc1N1C[C@@H](C)[C@H](C)C1 ZINC000092088900 180321849 /nfs/dbraw/zinc/32/18/49/180321849.db2.gz MLGQIAANKXQRGU-VXGBXAGGSA-N 1 0 262.401 2.412 10 0 CEAERO COc1c(C)ccc(NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)c1C ZINC000092202279 180342747 /nfs/dbraw/zinc/34/27/47/180342747.db2.gz CYLDRPNEMUXILD-VXGBXAGGSA-N 1 0 260.337 2.154 10 0 CEAERO Cc1ccc(Cl)cc1NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092201707 180342856 /nfs/dbraw/zinc/34/28/56/180342856.db2.gz LTFKENRNZPMMRK-MWLCHTKSSA-N 1 0 250.729 2.490 10 0 CEAERO COc1ccc(OC(F)F)c(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)c1 ZINC000092203052 180343281 /nfs/dbraw/zinc/34/32/81/180343281.db2.gz WLADMCUAWGCPKA-BDAKNGLRSA-N 1 0 298.289 2.139 10 0 CEAERO CC(C)C(=O)Nc1cccc(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)c1 ZINC000092203478 180343461 /nfs/dbraw/zinc/34/34/61/180343461.db2.gz NVSGTIXMSJSPCX-NEPJUHHUSA-N 1 0 287.363 2.123 10 0 CEAERO CCC1(CC)CCN(C(=O)[C@@H]2C=C[C@H]([NH3+])C2)CC1 ZINC000092207566 180344793 /nfs/dbraw/zinc/34/47/93/180344793.db2.gz LQTVLLWVUFVYQG-OLZOCXBDSA-N 1 0 250.386 2.319 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1c(F)cccc1F ZINC000105872200 186080629 /nfs/dbraw/zinc/08/06/29/186080629.db2.gz UEKSDCZHTFCORB-NXEZZACHSA-N 1 0 278.306 2.222 10 0 CEAERO CSc1ccc(C(=O)N[C@@H](C[NH3+])C(C)C)cc1 ZINC000092232376 180348388 /nfs/dbraw/zinc/34/83/88/180348388.db2.gz XMYVPKPYHDYENP-LBPRGKRZSA-N 1 0 252.383 2.122 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CSc2ccccc21 ZINC000092239182 180351186 /nfs/dbraw/zinc/35/11/86/180351186.db2.gz QTNLHBMSBMIOMH-GPWHNMLOSA-N 1 0 288.416 2.357 10 0 CEAERO C[C@@H](C[NH2+]C[C@H]1Cc2ccccc2S1)N(C)C ZINC000092243732 180351735 /nfs/dbraw/zinc/35/17/35/180351735.db2.gz ZWILWMJWBWBTEY-WCQYABFASA-N 1 0 250.411 2.243 10 0 CEAERO CC[NH2+]Cc1cnn(C[C@H]2COc3ccccc32)c1C ZINC000092306677 180360562 /nfs/dbraw/zinc/36/05/62/180360562.db2.gz SWRFOOJQPQLNGU-AWEZNQCLSA-N 1 0 271.364 2.477 10 0 CEAERO [NH3+][C@H]1C=C[C@H](c2nc(-c3ccc4nccnc4c3)no2)C1 ZINC000092181918 180338911 /nfs/dbraw/zinc/33/89/11/180338911.db2.gz LMCNMHCSLUCMGG-QWRGUYRKSA-N 1 0 279.303 2.051 10 0 CEAERO CC[C@H]1C[N@H+](CCc2ccccc2)CCN1CCOC ZINC000105836397 186075722 /nfs/dbraw/zinc/07/57/22/186075722.db2.gz XJPKUPOBFGHHQV-KRWDZBQOSA-N 1 0 276.424 2.272 10 0 CEAERO COCC[NH2+]CC(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000105852355 186078994 /nfs/dbraw/zinc/07/89/94/186078994.db2.gz AJECJEKXBATJJI-ZDUSSCGKSA-N 1 0 278.396 2.223 10 0 CEAERO CNC(=O)[C@@H](CC(C)C)[NH2+][C@H](C)c1ccc(F)cn1 ZINC000092196110 180341211 /nfs/dbraw/zinc/34/12/11/180341211.db2.gz IWQRUWBOPPIWPF-ZWNOBZJWSA-N 1 0 267.348 2.032 10 0 CEAERO C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@@H]2CCc3ncnn3C2)o1 ZINC000105906415 186088216 /nfs/dbraw/zinc/08/82/16/186088216.db2.gz UHSOPKMTLJJKOL-NQBHXWOUSA-N 1 0 272.352 2.099 10 0 CEAERO C[NH2+]C[C@@H](C)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C ZINC000092320484 180361655 /nfs/dbraw/zinc/36/16/55/180361655.db2.gz FSMSBMORSZADFU-JTQLQIEISA-N 1 0 287.411 2.294 10 0 CEAERO CC(C)c1nc(CN2CCO[C@@H](C[NH+](C)C)C2)cs1 ZINC000105924949 186090866 /nfs/dbraw/zinc/09/08/66/186090866.db2.gz GMSIGLZDJXDJCV-ZDUSSCGKSA-N 1 0 283.441 2.029 10 0 CEAERO CCc1nn(-c2ccccn2)c(CC)c1CC[NH2+]C ZINC000092320692 180361935 /nfs/dbraw/zinc/36/19/35/180361935.db2.gz LGDGQJFZQYCLHM-UHFFFAOYSA-N 1 0 258.369 2.154 10 0 CEAERO C[NH2+]C[C@@H](C)Cc1c(C)nn(-c2ccccn2)c1C ZINC000092320686 180361959 /nfs/dbraw/zinc/36/19/59/180361959.db2.gz ZMEDBJPTQGYZNR-NSHDSACASA-N 1 0 258.369 2.282 10 0 CEAERO Cc1nn(-c2cc(C)ncn2)c(C)c1[C@H](C)C[NH2+]C1CC1 ZINC000092322805 180362524 /nfs/dbraw/zinc/36/25/24/180362524.db2.gz UPOORKKADAUGGO-SNVBAGLBSA-N 1 0 285.395 2.443 10 0 CEAERO CCC[C@@H]1C[C@H]([NH2+]Cc2c(C)nn(C)c2C)CCO1 ZINC000092324235 180362529 /nfs/dbraw/zinc/36/25/29/180362529.db2.gz ACZYOBIXEYGQQV-ZIAGYGMSSA-N 1 0 265.401 2.474 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NCc2c(C)noc2C)CC1 ZINC000092329670 180363845 /nfs/dbraw/zinc/36/38/45/180363845.db2.gz ZQZRZJVCVNBWTR-CYBMUJFWSA-N 1 0 251.374 2.255 10 0 CEAERO Cc1noc(C)c1CNC(=O)[C@H](C)CCC[C@H](C)[NH3+] ZINC000092330610 180363964 /nfs/dbraw/zinc/36/39/64/180363964.db2.gz XLAWGPYCRQVWTF-ZJUUUORDSA-N 1 0 267.373 2.061 10 0 CEAERO CC[C@@H]1CN(Cc2cccc(F)c2)CC[N@@H+]1C[C@@H](C)O ZINC000106103932 186102313 /nfs/dbraw/zinc/10/23/13/186102313.db2.gz UDHRJHWNQIKUSK-CZUORRHYSA-N 1 0 280.387 2.103 10 0 CEAERO Cc1noc(C)c1[C@@H](C)[NH2+]C[C@H](O)COC(C)(C)C ZINC000092339406 180365069 /nfs/dbraw/zinc/36/50/69/180365069.db2.gz BFDCCPSEFHYXBA-SKDRFNHKSA-N 1 0 270.373 2.118 10 0 CEAERO Cc1noc(C)c1[C@H](C)N1CC[NH2+]C[C@@H]1C(C)C ZINC000092342388 180365721 /nfs/dbraw/zinc/36/57/21/180365721.db2.gz WWAWFJQYADQEHW-WCQYABFASA-N 1 0 251.374 2.282 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C)CN1[C@@H](C)c1c(C)noc1C ZINC000092342432 180365903 /nfs/dbraw/zinc/36/59/03/180365903.db2.gz MFWLFPLTWQRSQP-XHVZSJERSA-N 1 0 251.374 2.425 10 0 CEAERO Cc1cc(C[N@H+](C)CC(N)=S)c2ccccc2n1 ZINC000092347794 180367701 /nfs/dbraw/zinc/36/77/01/180367701.db2.gz JMIQQWDTZRGGED-UHFFFAOYSA-N 1 0 259.378 2.261 10 0 CEAERO c1ccc2c(CN3CC[NH2+][C@H](C4CC4)C3)ccnc2c1 ZINC000092365552 180368716 /nfs/dbraw/zinc/36/87/16/180368716.db2.gz GVOWDDJJJMXNRZ-KRWDZBQOSA-N 1 0 267.376 2.419 10 0 CEAERO CNc1ccc(S(=O)(=O)Nc2cc[nH+]c(C)c2)cc1 ZINC000092365009 180368775 /nfs/dbraw/zinc/36/87/75/180368775.db2.gz AUYCBDDSZCUUNB-UHFFFAOYSA-N 1 0 277.349 2.233 10 0 CEAERO CCNc1cccc(C[N@H+](C)[C@@H]2CCSC2)n1 ZINC000092368317 180369934 /nfs/dbraw/zinc/36/99/34/180369934.db2.gz YHTAZKXITJLZQO-GFCCVEGCSA-N 1 0 251.399 2.451 10 0 CEAERO Nc1cccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000092371228 180370003 /nfs/dbraw/zinc/37/00/03/180370003.db2.gz MXBSDNLYOZVOQD-SECBINFHSA-N 1 0 259.275 2.438 10 0 CEAERO CNc1cccc(C[N@H+](CCOC)[C@H](C)C2CC2)n1 ZINC000092369479 180370467 /nfs/dbraw/zinc/37/04/67/180370467.db2.gz AWVMZESWPDMMJU-GFCCVEGCSA-N 1 0 263.385 2.370 10 0 CEAERO CCc1ccc([C@H](C)[NH2+]C[C@@H]2CN(C)CCO2)cc1 ZINC000106388064 186112972 /nfs/dbraw/zinc/11/29/72/186112972.db2.gz BIZJMJQBNUGBDX-XJKSGUPXSA-N 1 0 262.397 2.230 10 0 CEAERO C[C@H](NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)C1CC1 ZINC000106429877 186116434 /nfs/dbraw/zinc/11/64/34/186116434.db2.gz QNICIYPLARGYKH-SWLSCSKDSA-N 1 0 260.381 2.074 10 0 CEAERO CC(C)[C@@H](CO)[NH2+]Cc1ccccc1N1CCCC1 ZINC000092392064 180376348 /nfs/dbraw/zinc/37/63/48/180376348.db2.gz FOCYZSIXUHOSJG-OAHLLOKOSA-N 1 0 262.397 2.393 10 0 CEAERO CC(C)c1ccc([C@@H](O)C[NH2+][C@@H](CO)C(C)C)cc1 ZINC000092400392 180377888 /nfs/dbraw/zinc/37/78/88/180377888.db2.gz WTVUQHWFASVNCZ-HOTGVXAUSA-N 1 0 265.397 2.450 10 0 CEAERO CC1(C)[C@H]2C[NH2+]C[C@@H]2CN1Cc1cc(Cl)ccn1 ZINC000092417403 180381161 /nfs/dbraw/zinc/38/11/61/180381161.db2.gz IZYNYOYNTWYKJS-MFKMUULPSA-N 1 0 265.788 2.165 10 0 CEAERO CCNc1cc[nH+]c(CN2CCC[C@H](C(=O)OCC)C2)c1 ZINC000092417870 180381404 /nfs/dbraw/zinc/38/14/04/180381404.db2.gz DWCDKZDOVZAGRE-ZDUSSCGKSA-N 1 0 291.395 2.289 10 0 CEAERO CNc1cc[nH+]c(COc2ccc(S(C)(=O)=O)cc2)c1 ZINC000092420505 180382203 /nfs/dbraw/zinc/38/22/03/180382203.db2.gz CCDDIPNKPXGOBS-UHFFFAOYSA-N 1 0 292.360 2.106 10 0 CEAERO Cc1cccc(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1 ZINC000092428947 180383358 /nfs/dbraw/zinc/38/33/58/180383358.db2.gz PFHVCYXJBZXPJR-MQVJKMGUSA-N 1 0 259.397 2.495 10 0 CEAERO COc1ccc(C[NH3+])c(OCc2cccc(C)n2)c1 ZINC000092427512 180383401 /nfs/dbraw/zinc/38/34/01/180383401.db2.gz POIHIFSOUMOZFZ-UHFFFAOYSA-N 1 0 258.321 2.436 10 0 CEAERO COc1ccc2c(c1)[C@](C[NH3+])(N1CCSCC1)CCC2 ZINC000092384593 180373777 /nfs/dbraw/zinc/37/37/77/180373777.db2.gz MWXRWLKSRRKPAG-INIZCTEOSA-N 1 0 292.448 2.234 10 0 CEAERO COc1ccc2c(c1)[C@H](N)[C@H]([N@H+](C)CC1CC1)CC2 ZINC000092385647 180373793 /nfs/dbraw/zinc/37/37/93/180373793.db2.gz WXWNAKFMSLXBMC-CVEARBPZSA-N 1 0 260.381 2.352 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@@H](N1CCC(OC)CC1)CC2 ZINC000092385542 180373991 /nfs/dbraw/zinc/37/39/91/180373991.db2.gz XKPCZJAJYXJFLT-IRXDYDNUSA-N 1 0 290.407 2.121 10 0 CEAERO CC(C)(C)[NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000107799900 186192167 /nfs/dbraw/zinc/19/21/67/186192167.db2.gz MFJAHQTUTBIKQW-SECBINFHSA-N 1 0 266.307 2.175 10 0 CEAERO COc1ccccc1-c1cn2c(n1)[C@H](C)C[C@@H]([NH3+])C2 ZINC000107827753 186194606 /nfs/dbraw/zinc/19/46/06/186194606.db2.gz YNDDSXBFTFDTIQ-GHMZBOCLSA-N 1 0 257.337 2.393 10 0 CEAERO [NH3+]CC1(NC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)CCCC1 ZINC000107914877 186197104 /nfs/dbraw/zinc/19/71/04/186197104.db2.gz YCUDWIKORAOREQ-YNEHKIRRSA-N 1 0 250.386 2.200 10 0 CEAERO CCC(CC)(C[NH3+])NC(=O)C[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000107915348 186197388 /nfs/dbraw/zinc/19/73/88/186197388.db2.gz UGQBYEDWQFRCPS-YNEHKIRRSA-N 1 0 252.402 2.446 10 0 CEAERO CCN1CCC[C@H]([NH2+][C@@H](C)Cc2ccc(O)cc2)C1 ZINC000130515193 365964772 /nfs/dbraw/zinc/96/47/72/365964772.db2.gz JZCSGQMTGPOREW-ZFWWWQNUSA-N 1 0 262.397 2.397 10 0 CEAERO CC(C)C[C@@H](C[NH+](C)C)n1c(N)nc2cnccc21 ZINC000092513844 180399932 /nfs/dbraw/zinc/39/99/32/180399932.db2.gz ONNVFYHBDKWLBE-NSHDSACASA-N 1 0 261.373 2.162 10 0 CEAERO C[C@H](CO)C[NH2+]C[C@H](O)c1cc(Cl)ccc1Cl ZINC000109122402 186244187 /nfs/dbraw/zinc/24/41/87/186244187.db2.gz UJMLBPNMAFCAPO-UFBFGSQYSA-N 1 0 278.179 2.245 10 0 CEAERO C[C@@H](CO)C[NH2+]C[C@@H](O)c1cc(Cl)ccc1Cl ZINC000109122409 186244510 /nfs/dbraw/zinc/24/45/10/186244510.db2.gz UJMLBPNMAFCAPO-PRHODGIISA-N 1 0 278.179 2.245 10 0 CEAERO Cc1cc(C(C)C)nc(C(C)(C)N2CC[NH2+]CC2)n1 ZINC000109476194 186255376 /nfs/dbraw/zinc/25/53/76/186255376.db2.gz RXBJLPZVHMVXQX-UHFFFAOYSA-N 1 0 262.401 2.049 10 0 CEAERO CCC[NH2+][C@@H]1CCCCC[C@H]1c1nc(-c2nc[nH]n2)no1 ZINC000109499964 186257576 /nfs/dbraw/zinc/25/75/76/186257576.db2.gz QEGAAXDPCCUXML-GHMZBOCLSA-N 1 0 290.371 2.271 10 0 CEAERO CC[NH2+][C@@H](C)[C@@H](CC)c1nc(-c2ncccn2)no1 ZINC000109505418 186257675 /nfs/dbraw/zinc/25/76/75/186257675.db2.gz BICAGNXHQUKRCF-VHSXEESVSA-N 1 0 261.329 2.018 10 0 CEAERO COc1ccccc1Cc1noc([C@H]2CCC[C@@H]2[NH3+])n1 ZINC000109513259 186258136 /nfs/dbraw/zinc/25/81/36/186258136.db2.gz LITVOOHZEIGLJG-RYUDHWBXSA-N 1 0 273.336 2.264 10 0 CEAERO C[NH2+][C@@H](Cc1nc(Cc2nc(C)cs2)no1)C(C)C ZINC000109511080 186258138 /nfs/dbraw/zinc/25/81/38/186258138.db2.gz BTTAFTAPEKSIKN-JTQLQIEISA-N 1 0 280.397 2.212 10 0 CEAERO COc1ccccc1Cc1noc(C[C@@H]([NH3+])C(C)C)n1 ZINC000109513300 186258141 /nfs/dbraw/zinc/25/81/41/186258141.db2.gz QTMRMIWZLBTQAT-GFCCVEGCSA-N 1 0 275.352 2.195 10 0 CEAERO CCC[NH2+][C@H](Cc1nc(CSC)no1)C1CC1 ZINC000109508922 186258588 /nfs/dbraw/zinc/25/85/88/186258588.db2.gz PCCAKKLASPXOQY-SNVBAGLBSA-N 1 0 255.387 2.253 10 0 CEAERO CC[NH2+][C@H](C)[C@H](C)c1nc(CC(F)(F)F)no1 ZINC000109517404 186258915 /nfs/dbraw/zinc/25/89/15/186258915.db2.gz CEWQPQUQYNPZAU-NKWVEPMBSA-N 1 0 251.252 2.276 10 0 CEAERO C[NH2+][C@H](C)Cc1nc(-c2cc(F)cc(F)c2)no1 ZINC000109520536 186258926 /nfs/dbraw/zinc/25/89/26/186258926.db2.gz MRMVEDVPOMNYSS-SSDOTTSWSA-N 1 0 253.252 2.165 10 0 CEAERO [NH3+][C@H](Cc1nc(-c2cc(F)c(F)c(F)c2)no1)C1CC1 ZINC000109520991 186259285 /nfs/dbraw/zinc/25/92/85/186259285.db2.gz CKTQYYZPTDTDGO-SNVBAGLBSA-N 1 0 283.253 2.434 10 0 CEAERO CCC[NH2+][C@H](Cc1nc(COC)no1)c1ccccc1 ZINC000109518878 186259450 /nfs/dbraw/zinc/25/94/50/186259450.db2.gz CWMADLJJQJGDTI-CYBMUJFWSA-N 1 0 275.352 2.499 10 0 CEAERO [NH3+]Cc1ccc(CNC(=O)Cc2ccccc2)c(F)c1 ZINC000109540262 186260609 /nfs/dbraw/zinc/26/06/09/186260609.db2.gz NZYYVSQBOQTXSK-UHFFFAOYSA-N 1 0 272.323 2.143 10 0 CEAERO CCNC(=O)c1ccc(N)c(N[C@H](C)C[NH+](CC)CC)c1 ZINC000109537980 186260860 /nfs/dbraw/zinc/26/08/60/186260860.db2.gz ALQQRZGWGADOAA-GFCCVEGCSA-N 1 0 292.427 2.161 10 0 CEAERO C[NH2+][C@@H]1C(=O)Nc2cc(-n3ncc4ccccc43)ccc21 ZINC000109573106 186263601 /nfs/dbraw/zinc/26/36/01/186263601.db2.gz RHZIIKORKZDTLM-HNNXBMFYSA-N 1 0 278.315 2.238 10 0 CEAERO CC[NH2+][C@@H]1C(=O)Nc2cc(-n3ccc(C4CC4)n3)ccc21 ZINC000109573222 186264011 /nfs/dbraw/zinc/26/40/11/186264011.db2.gz JWYGAXAUIMXZRF-HNNXBMFYSA-N 1 0 282.347 2.352 10 0 CEAERO C[C@@H]([NH3+])c1cc(F)ccc1N(C)[C@H]1CCC[N@H+](C)C1 ZINC000109571546 186264475 /nfs/dbraw/zinc/26/44/75/186264475.db2.gz XIBONBFRYYWFHH-YPMHNXCESA-N 1 0 265.376 2.376 10 0 CEAERO CCc1cc(N2CC[C@@H]([NH+](C)C)C2)nc(-c2ccncc2)n1 ZINC000109319612 186247967 /nfs/dbraw/zinc/24/79/67/186247967.db2.gz MQMUVUSYOUYTFV-OAHLLOKOSA-N 1 0 297.406 2.241 10 0 CEAERO Cn1cnnc1CC[NH2+]Cc1ccccc1C(F)(F)F ZINC000109420863 186251561 /nfs/dbraw/zinc/25/15/61/186251561.db2.gz JEPAMJPTVPFODT-UHFFFAOYSA-N 1 0 284.285 2.166 10 0 CEAERO COc1ccc(C)cc1[C@@H](C)[NH2+]CCc1nncn1C ZINC000109421186 186251640 /nfs/dbraw/zinc/25/16/40/186251640.db2.gz VHPAEKHEFUCVFR-GFCCVEGCSA-N 1 0 274.368 2.025 10 0 CEAERO CC[C@H](C(N)=S)[NH+]1CCN(Cc2ccccc2F)CC1 ZINC000109469550 186253844 /nfs/dbraw/zinc/25/38/44/186253844.db2.gz FCPQWQSHIQZNDA-CQSZACIVSA-N 1 0 295.427 2.008 10 0 CEAERO CC[C@@H](C(N)=S)[NH+]1CCN(Cc2ccccc2C)CC1 ZINC000109469812 186254438 /nfs/dbraw/zinc/25/44/38/186254438.db2.gz PHNTWVFARNDNJO-HNNXBMFYSA-N 1 0 291.464 2.177 10 0 CEAERO C[C@@H](c1noc(-c2ccc(Cl)s2)n1)N1CC[NH2+]CC1 ZINC000109473540 186254670 /nfs/dbraw/zinc/25/46/70/186254670.db2.gz WZLVPBUSSYZLST-QMMMGPOBSA-N 1 0 298.799 2.418 10 0 CEAERO C[C@H]1CCc2nc(C(C)(C)N3CC[NH2+]CC3)sc2C1 ZINC000109472973 186255082 /nfs/dbraw/zinc/25/50/82/186255082.db2.gz RRQZLWIJRAHBTH-NSHDSACASA-N 1 0 279.453 2.408 10 0 CEAERO CC[C@H](c1noc(-c2ccsc2)n1)N1CC[NH2+]CC1 ZINC000109474623 186255101 /nfs/dbraw/zinc/25/51/01/186255101.db2.gz DFRQAVIQFIJAFQ-LLVKDONJSA-N 1 0 278.381 2.154 10 0 CEAERO CC(C)c1ccc(-c2nc(CN3CC[NH2+]CC3)no2)cc1 ZINC000109473352 186255312 /nfs/dbraw/zinc/25/53/12/186255312.db2.gz OFYQXVXYIGZDBN-UHFFFAOYSA-N 1 0 286.379 2.265 10 0 CEAERO CC(C)CC[N@H+](CCC[C@@](C)([NH3+])C(=O)[O-])C1CC1 ZINC000109999435 186282280 /nfs/dbraw/zinc/28/22/80/186282280.db2.gz UOUJXJQPUQAFKI-CQSZACIVSA-N 1 0 256.390 2.079 10 0 CEAERO CC(C)CC[N@H+](CCCC[C@@](C)([NH3+])C(=O)[O-])C1CC1 ZINC000109999426 186282290 /nfs/dbraw/zinc/28/22/90/186282290.db2.gz OYMPQVUQACYODM-OAHLLOKOSA-N 1 0 270.417 2.469 10 0 CEAERO COc1ccc([C@H]([NH3+])c2cccc(C)n2)cc1OC ZINC000110474549 186298402 /nfs/dbraw/zinc/29/84/02/186298402.db2.gz YEWXEOQZIJYTMN-HNNXBMFYSA-N 1 0 258.321 2.455 10 0 CEAERO CC[NH2+][C@@H](Cc1nc(-c2cccc(C)n2)no1)C1CC1 ZINC000110482426 186298723 /nfs/dbraw/zinc/29/87/23/186298723.db2.gz MTQZVOCXRJAFER-ZDUSSCGKSA-N 1 0 272.352 2.371 10 0 CEAERO CCc1nc(-c2ccc3c(c2)CCO3)[nH+]c(NN)c1C ZINC000110477638 186299469 /nfs/dbraw/zinc/29/94/69/186299469.db2.gz YZSHKKSUPMWJPA-UHFFFAOYSA-N 1 0 270.336 2.235 10 0 CEAERO CCC[NH2+][C@H](CC)[C@H](C)c1nc(-c2cnccn2)no1 ZINC000110478835 186299632 /nfs/dbraw/zinc/29/96/32/186299632.db2.gz COSGUBKBVDZCMO-WDEREUQCSA-N 1 0 275.356 2.408 10 0 CEAERO Cc1cc(C)c(C[NH2+]C2CC2)c(O[C@H]2CCOC2)n1 ZINC000110532419 186302087 /nfs/dbraw/zinc/30/20/87/186302087.db2.gz UQLVHDNFGBSIIA-ZDUSSCGKSA-N 1 0 262.353 2.118 10 0 CEAERO CCOc1cc(NCC[NH+]2CCCC2)c(N)cc1F ZINC000110634555 186307323 /nfs/dbraw/zinc/30/73/23/186307323.db2.gz RBZUWXTUDKBLHT-UHFFFAOYSA-N 1 0 267.348 2.314 10 0 CEAERO COc1cc2c(cc1F)[nH+]c(N)n2[C@H](C)Cn1ccnc1 ZINC000110629855 186308130 /nfs/dbraw/zinc/30/81/30/186308130.db2.gz BDNBSKHPDWDHFN-SECBINFHSA-N 1 0 289.314 2.224 10 0 CEAERO C[C@H]1CCCN(C(=O)[C@H](C[NH3+])Cc2ccccc2)CC1 ZINC000110808166 186326476 /nfs/dbraw/zinc/32/64/76/186326476.db2.gz GEVYNJZAFYCTPP-HOCLYGCPSA-N 1 0 274.408 2.453 10 0 CEAERO CCOC(=O)[C@H](C[N@H+](C)CC1CCCC1)NC(C)C ZINC000110841131 186328387 /nfs/dbraw/zinc/32/83/87/186328387.db2.gz QJZKCRHIAIIHDG-AWEZNQCLSA-N 1 0 270.417 2.038 10 0 CEAERO C[C@H]1CC[C@@H](C(=O)N(C)CC2CCCC2)C[C@@H]1[NH3+] ZINC000110848163 186329302 /nfs/dbraw/zinc/32/93/02/186329302.db2.gz AVGWIZZIXUHSCD-YUTCNCBUSA-N 1 0 252.402 2.399 10 0 CEAERO CN(c1ccc(C(F)(F)F)cn1)[C@H]1CCC[NH2+]C1 ZINC000110932334 186333180 /nfs/dbraw/zinc/33/31/80/186333180.db2.gz ACAJWRVYWRIAME-JTQLQIEISA-N 1 0 259.275 2.289 10 0 CEAERO CO[C@@H]1CCC[C@H]1[NH2+]Cc1[nH]nnc1-c1ccccc1 ZINC000110925357 186334054 /nfs/dbraw/zinc/33/40/54/186334054.db2.gz IVEZRZGZHCORFQ-TZMCWYRMSA-N 1 0 272.352 2.129 10 0 CEAERO CCN(c1ccccc1S(=O)(=O)CC)[C@H]1CCC[NH2+]C1 ZINC000110947672 186335173 /nfs/dbraw/zinc/33/51/73/186335173.db2.gz IUYLNOGMJDNPHP-ZDUSSCGKSA-N 1 0 296.436 2.059 10 0 CEAERO CCN(c1cc(C)nc(C(C)C)n1)[C@H]1CCC[NH2+]C1 ZINC000110947247 186335534 /nfs/dbraw/zinc/33/55/34/186335534.db2.gz YWWFUHSWFZVJMK-ZDUSSCGKSA-N 1 0 262.401 2.487 10 0 CEAERO CCOC(=O)c1ccoc1CN(CC)[C@@H]1CCC[NH2+]C1 ZINC000110943421 186335837 /nfs/dbraw/zinc/33/58/37/186335837.db2.gz HJSYNLAXFFNYEZ-GFCCVEGCSA-N 1 0 280.368 2.030 10 0 CEAERO CCCN(CCC(=O)Nc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000110945436 186335944 /nfs/dbraw/zinc/33/59/44/186335944.db2.gz JPGOHWOTOKHKLJ-INIZCTEOSA-N 1 0 289.423 2.479 10 0 CEAERO Cc1ccc([C@H](C)[NH3+])c(OCC(=O)NC2CCCC2)c1 ZINC000110957787 186336302 /nfs/dbraw/zinc/33/63/02/186336302.db2.gz KMDDGFSRFDDLGV-LBPRGKRZSA-N 1 0 276.380 2.452 10 0 CEAERO Cc1ccc([C@H](C)[NH3+])c(OCC(=O)N2CCCCC2)c1 ZINC000110958607 186336491 /nfs/dbraw/zinc/33/64/91/186336491.db2.gz DXCURCYYBXXCAJ-ZDUSSCGKSA-N 1 0 276.380 2.406 10 0 CEAERO Cc1ccc([C@@H]([NH2+]C2CCCC2)C(N)=O)cc1F ZINC000110978246 186339300 /nfs/dbraw/zinc/33/93/00/186339300.db2.gz NNJITGWBOPRJRW-CYBMUJFWSA-N 1 0 250.317 2.193 10 0 CEAERO CC[C@H]([NH3+])[C@H](Oc1ccccc1CO)c1ccccn1 ZINC000110992850 186340274 /nfs/dbraw/zinc/34/02/74/186340274.db2.gz AQEVNGUYJVTUQF-BBRMVZONSA-N 1 0 272.348 2.431 10 0 CEAERO CC[C@H]1CN(Cc2ccc(Cl)nc2)CC[N@@H+]1C ZINC000110717568 186316508 /nfs/dbraw/zinc/31/65/08/186316508.db2.gz FYHDNIJDACOFNL-LBPRGKRZSA-N 1 0 253.777 2.261 10 0 CEAERO C[C@@H]1CCC(=O)[C@@H](C[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC000110744128 186318554 /nfs/dbraw/zinc/31/85/54/186318554.db2.gz MICCIVTXSXIZMG-CHWSQXEVSA-N 1 0 252.402 2.018 10 0 CEAERO CC[C@@H]([NH3+])[C@H](SCCS(C)(=O)=O)c1ccc(C)o1 ZINC000111004470 186341112 /nfs/dbraw/zinc/34/11/12/186341112.db2.gz BOFKVJZXRVPAMT-PWSUYJOCSA-N 1 0 291.438 2.144 10 0 CEAERO CC[NH2+]CCN(CC)c1ncnc2sc(C)cc21 ZINC000110779940 186324203 /nfs/dbraw/zinc/32/42/03/186324203.db2.gz CUJDMGCEIRTZCM-UHFFFAOYSA-N 1 0 264.398 2.436 10 0 CEAERO CCOC(=O)c1cc(C)sc1NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000110777712 186324586 /nfs/dbraw/zinc/32/45/86/186324586.db2.gz QJJGFKNCSHYFHU-NSHDSACASA-N 1 0 296.392 2.314 10 0 CEAERO O[C@@H]1C[NH2+]C[C@@H]1Oc1ccccc1-c1ccccc1 ZINC000111059685 186349330 /nfs/dbraw/zinc/34/93/30/186349330.db2.gz SUGVOEMZEKTTEI-ZBFHGGJFSA-N 1 0 255.317 2.065 10 0 CEAERO C[NH2+][C@H](C)c1ccc(SCCS(C)(=O)=O)cc1 ZINC000111005073 186341923 /nfs/dbraw/zinc/34/19/23/186341923.db2.gz SSCWXDZPIHQPFB-SNVBAGLBSA-N 1 0 273.423 2.104 10 0 CEAERO C[NH2+][C@H](C)c1cc(F)ccc1SCCS(C)(=O)=O ZINC000111005082 186342640 /nfs/dbraw/zinc/34/26/40/186342640.db2.gz KOPOQCDESRTSCT-SECBINFHSA-N 1 0 291.413 2.243 10 0 CEAERO CN(C(=O)c1c(N)cccc1Cl)[C@@H]1CCC[N@H+](C)C1 ZINC000111012532 186343146 /nfs/dbraw/zinc/34/31/46/186343146.db2.gz SUVHWYUJYYNJJJ-SNVBAGLBSA-N 1 0 281.787 2.088 10 0 CEAERO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1c(N)cccc1Cl ZINC000111011718 186343259 /nfs/dbraw/zinc/34/32/59/186343259.db2.gz RNVHFOFEMJXKCQ-GFCCVEGCSA-N 1 0 283.803 2.238 10 0 CEAERO NC(=O)c1cc(F)ccc1NC[C@@H]([NH3+])c1ccccc1 ZINC000111027417 186345771 /nfs/dbraw/zinc/34/57/71/186345771.db2.gz KPUWTWBBQWIMFI-CYBMUJFWSA-N 1 0 273.311 2.037 10 0 CEAERO CN(Cc1ccccn1)c1ccc(F)cc1C(N)=[NH2+] ZINC000111033699 186346493 /nfs/dbraw/zinc/34/64/93/186346493.db2.gz ZYTQNMJGUFYOSY-UHFFFAOYSA-N 1 0 258.300 2.141 10 0 CEAERO COCCN(CC(C)C)c1ccc(F)cc1C(N)=[NH2+] ZINC000111034222 186346627 /nfs/dbraw/zinc/34/66/27/186346627.db2.gz BVCLWMVSNSLJJE-UHFFFAOYSA-N 1 0 267.348 2.219 10 0 CEAERO CC(C)[N@H+](C)CCNc1ccc(F)cc1C(N)=S ZINC000111032599 186347212 /nfs/dbraw/zinc/34/72/12/186347212.db2.gz HSBWRPCGVCANET-UHFFFAOYSA-N 1 0 269.389 2.212 10 0 CEAERO CCC(CC)N1C(=O)C[C@H](Nc2cc[nH+]cc2C)C1=O ZINC000111042842 186347462 /nfs/dbraw/zinc/34/74/62/186347462.db2.gz HWCCUKGGNQBKCY-ZDUSSCGKSA-N 1 0 275.352 2.118 10 0 CEAERO Cc1cnccc1NC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000111043651 186347523 /nfs/dbraw/zinc/34/75/23/186347523.db2.gz OIPSACFWTBPDKI-HNNXBMFYSA-N 1 0 255.321 2.203 10 0 CEAERO C[C@H](N)[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111154407 186360776 /nfs/dbraw/zinc/36/07/76/186360776.db2.gz UKZNCLFGKQCVRV-OFQRWUPVSA-N 1 0 262.397 2.433 10 0 CEAERO COc1ccc([C@H]([C@H](C)[NH3+])N(C)C[C@@H]2CCCOC2)cc1 ZINC000111154759 186360969 /nfs/dbraw/zinc/36/09/69/186360969.db2.gz SAVUHVVVUWZXHK-ZQIUZPCESA-N 1 0 292.423 2.442 10 0 CEAERO Cc1ccc([C@H]([C@@H](C)[NH3+])N(C)CC2CCOCC2)o1 ZINC000111156272 186361557 /nfs/dbraw/zinc/36/15/57/186361557.db2.gz WQLOOBSXFJJUJP-DOMZBBRYSA-N 1 0 266.385 2.335 10 0 CEAERO COc1ccc(C)cc1[C@H](N)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000111160254 186362123 /nfs/dbraw/zinc/36/21/23/186362123.db2.gz LAEISFPLLGCAJL-GOEBONIOSA-N 1 0 292.423 2.362 10 0 CEAERO CCOc1ccccc1[C@@H](C[NH3+])N(C)CC1CCOCC1 ZINC000111159494 186362187 /nfs/dbraw/zinc/36/21/87/186362187.db2.gz SZMXRHQKQYGROK-MRXNPFEDSA-N 1 0 292.423 2.444 10 0 CEAERO CN(CC1CCOCC1)[C@@H](C[NH3+])c1c(F)cccc1F ZINC000111159626 186362572 /nfs/dbraw/zinc/36/25/72/186362572.db2.gz WOQCYLCCJMJYKL-AWEZNQCLSA-N 1 0 284.350 2.323 10 0 CEAERO CC[NH2+][C@@H](CN(C)C[C@@H]1CCCOC1)C(C)(C)C ZINC000111160844 186363030 /nfs/dbraw/zinc/36/30/30/186363030.db2.gz XKHMSYUIJBSKCE-KBPBESRZSA-N 1 0 256.434 2.369 10 0 CEAERO CCC[NH2+][C@H]1CCC[C@@H]1N(C)C[C@@H]1CCCOC1 ZINC000111160597 186363205 /nfs/dbraw/zinc/36/32/05/186363205.db2.gz FAJKZQIXTNLWJM-KKUMJFAQSA-N 1 0 254.418 2.266 10 0 CEAERO CCCOCCOC[C@H]([NH2+]C)c1ccc2c(c1)OCO2 ZINC000111108585 186353438 /nfs/dbraw/zinc/35/34/38/186353438.db2.gz DECBTKRKQCJFLD-ZDUSSCGKSA-N 1 0 281.352 2.119 10 0 CEAERO COc1ccc([C@H](C[NH3+])Sc2ccncn2)cc1 ZINC000111113455 186353704 /nfs/dbraw/zinc/35/37/04/186353704.db2.gz XUELJNWNGRUPID-LBPRGKRZSA-N 1 0 261.350 2.277 10 0 CEAERO COc1ccc(C)cc1[C@H](N)C[N@H+](C)CC1CCOCC1 ZINC000111161467 186363426 /nfs/dbraw/zinc/36/34/26/186363426.db2.gz ORZXNSMEBUTCDR-MRXNPFEDSA-N 1 0 292.423 2.362 10 0 CEAERO CCOc1ccc(N)cc1CN(C)CCC[NH+](C)C ZINC000111131530 186356154 /nfs/dbraw/zinc/35/61/54/186356154.db2.gz SOAZVKZCZARYAY-UHFFFAOYSA-N 1 0 265.401 2.051 10 0 CEAERO CN(CC[NH+](C)C)C(=O)c1cnc(Cl)c(Cl)c1 ZINC000111135559 186357471 /nfs/dbraw/zinc/35/74/71/186357471.db2.gz DRKABTVXQIFOAH-UHFFFAOYSA-N 1 0 276.167 2.022 10 0 CEAERO Cc1ccc(C(=O)[C@@H](C)N(C)CC[NH+](C)C)cc1C ZINC000111139668 186357514 /nfs/dbraw/zinc/35/75/14/186357514.db2.gz CKTFPNPZLDQKJC-CQSZACIVSA-N 1 0 262.397 2.368 10 0 CEAERO C[C@@H]1C[C@@H](C(=O)N(C)CCC[NH+](C)C)c2ccccc2N1 ZINC000111139363 186357950 /nfs/dbraw/zinc/35/79/50/186357950.db2.gz QBFNTTIZUKRZCN-UKRRQHHQSA-N 1 0 289.423 2.384 10 0 CEAERO CN(CC[NH+](C)C)CC(C)(C)[C@@H](O)c1ccccc1 ZINC000111148574 186358918 /nfs/dbraw/zinc/35/89/18/186358918.db2.gz BMHHORDLLRMCOJ-HNNXBMFYSA-N 1 0 264.413 2.240 10 0 CEAERO Cc1ccc([C@H](O)CN(C)CCC[NH+](C)C)c(C)c1 ZINC000111143945 186359467 /nfs/dbraw/zinc/35/94/67/186359467.db2.gz HLJRLYDLMBERND-MRXNPFEDSA-N 1 0 264.413 2.220 10 0 CEAERO CN(CCNc1cccc(Cl)c1)CC[NH+](C)C ZINC000111150615 186360111 /nfs/dbraw/zinc/36/01/11/186360111.db2.gz KXVMRCWCRXITTN-UHFFFAOYSA-N 1 0 255.793 2.245 10 0 CEAERO COc1cccc([C@@H](N)C[N@H+](C)CC2CCOCC2)c1 ZINC000111161593 186364240 /nfs/dbraw/zinc/36/42/40/186364240.db2.gz JDMZXZLAZUQQFI-INIZCTEOSA-N 1 0 278.396 2.053 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2C[C@H]1N(C)CC1CCOCC1 ZINC000111162120 186364489 /nfs/dbraw/zinc/36/44/89/186364489.db2.gz SLSZWFJUMPXYEI-IAGOWNOFSA-N 1 0 274.408 2.230 10 0 CEAERO Cc1ccc([C@@H]2CCCC[N@@H+]2CCN2C(=O)CCC2=O)o1 ZINC000130925724 366005224 /nfs/dbraw/zinc/00/52/24/366005224.db2.gz WFGJNFBXUNIFGC-ZDUSSCGKSA-N 1 0 290.363 2.264 10 0 CEAERO CCc1nc(N(C)C[C@H]2CCCOC2)sc1C[NH3+] ZINC000111177404 186365464 /nfs/dbraw/zinc/36/54/64/186365464.db2.gz BFCINGRGHCSEJJ-SNVBAGLBSA-N 1 0 269.414 2.027 10 0 CEAERO CN(C[C@@H]1CCCOC1)c1ncc(C[NH3+])cc1Cl ZINC000111173927 186365954 /nfs/dbraw/zinc/36/59/54/186365954.db2.gz OVYSRSVVRAPJRF-JTQLQIEISA-N 1 0 269.776 2.057 10 0 CEAERO Cc1cc(C)c(C(N)=S)c(NCC2CCOCC2)[nH+]1 ZINC000111178507 186366001 /nfs/dbraw/zinc/36/60/01/186366001.db2.gz OTXMMEWDYVECOQ-UHFFFAOYSA-N 1 0 279.409 2.171 10 0 CEAERO C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCOc2ccccc21 ZINC000111189021 186367375 /nfs/dbraw/zinc/36/73/75/186367375.db2.gz UXEGUPRZLCVKMT-ZFWWWQNUSA-N 1 0 288.391 2.153 10 0 CEAERO CC(C)(C)C1CC[NH+]([C@@H](CN)[C@H]2CCCOC2)CC1 ZINC000111321130 186396507 /nfs/dbraw/zinc/39/65/07/186396507.db2.gz OAEWMKOEABEZFH-ZFWWWQNUSA-N 1 0 268.445 2.498 10 0 CEAERO NC[C@H]([C@@H]1CCCOC1)[N@@H+]1CCCc2ccccc2C1 ZINC000111321253 186397217 /nfs/dbraw/zinc/39/72/17/186397217.db2.gz CHIPBBBWLACGJF-IAGOWNOFSA-N 1 0 274.408 2.189 10 0 CEAERO C[NH2+]C[C@@]1(CN(C)c2ccc(F)cc2)CCCOC1 ZINC000111327007 186398217 /nfs/dbraw/zinc/39/82/17/186398217.db2.gz CBUWVCGXIGFOBS-OAHLLOKOSA-N 1 0 266.360 2.278 10 0 CEAERO CN(Cc1ccncc1)C[C@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111325725 186398728 /nfs/dbraw/zinc/39/87/28/186398728.db2.gz MHXPEGITUPBHQP-QGZVFWFLSA-N 1 0 289.423 2.062 10 0 CEAERO CCN(Cc1ccco1)C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111244960 186375669 /nfs/dbraw/zinc/37/56/69/186375669.db2.gz LAHWDXCDSYSAOK-LBPRGKRZSA-N 1 0 290.285 2.170 10 0 CEAERO CN(C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)c1cccc(F)c1 ZINC000111246799 186376169 /nfs/dbraw/zinc/37/61/69/186376169.db2.gz AOGSVOGSILCKJO-GFCCVEGCSA-N 1 0 290.260 2.331 10 0 CEAERO CCCCCN(C)C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111243584 186376196 /nfs/dbraw/zinc/37/61/96/186376196.db2.gz SZTPOANLRCKYQB-NSHDSACASA-N 1 0 266.307 2.177 10 0 CEAERO C[C@@H](NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)c1cccs1 ZINC000111243761 186376292 /nfs/dbraw/zinc/37/62/92/186376292.db2.gz ZUBVGXIPKAJSEH-LDYMZIIASA-N 1 0 292.326 2.467 10 0 CEAERO CCC[C@@H](C)N(C)C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111243864 186376303 /nfs/dbraw/zinc/37/63/03/186376303.db2.gz KNESPJIXBBBORB-MWLCHTKSSA-N 1 0 266.307 2.175 10 0 CEAERO COc1cccc(-c2noc([C@H]3C[NH2+]C[C@@H]3C)n2)c1 ZINC000111256394 186378809 /nfs/dbraw/zinc/37/88/09/186378809.db2.gz SSXOPLUISSCGCT-CABZTGNLSA-N 1 0 259.309 2.068 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1c1nc(CCc2ccccc2)no1 ZINC000111256517 186378939 /nfs/dbraw/zinc/37/89/39/186378939.db2.gz QBMYQJKTIGYAEX-YPMHNXCESA-N 1 0 257.337 2.178 10 0 CEAERO COc1cc(OC)c(NC(=O)[C@@H]2C[NH2+]C[C@@H]2C)cc1Cl ZINC000111263103 186380197 /nfs/dbraw/zinc/38/01/97/186380197.db2.gz UHLURJZRFSXQOH-DTWKUNHWSA-N 1 0 298.770 2.151 10 0 CEAERO Cc1cc(NC(=O)[C@H]2C[NH2+]C[C@@H]2C)c2ccccc2n1 ZINC000111262972 186380987 /nfs/dbraw/zinc/38/09/87/186380987.db2.gz VARSBYYXRSQVMN-GWCFXTLKSA-N 1 0 269.348 2.337 10 0 CEAERO CC(C)N(C)c1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2C)cc1F ZINC000111264922 186381706 /nfs/dbraw/zinc/38/17/06/186381706.db2.gz ARPMHXKKXRCZTK-AAEUAGOBSA-N 1 0 293.386 2.464 10 0 CEAERO CC(=O)Nc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)cc1Cl ZINC000111265450 186382032 /nfs/dbraw/zinc/38/20/32/186382032.db2.gz IUJPYAGWUZZRLP-LDYMZIIASA-N 1 0 295.770 2.092 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000111267915 186382661 /nfs/dbraw/zinc/38/26/61/186382661.db2.gz JWKAWLLXJJIIAL-ZWNOBZJWSA-N 1 0 298.333 2.102 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N(C)Cc1cccc(Cl)c1 ZINC000111267984 186382903 /nfs/dbraw/zinc/38/29/03/186382903.db2.gz NENCMRBSRXVKEU-MFKMUULPSA-N 1 0 266.772 2.154 10 0 CEAERO CCC[C@H](NC(=O)[C@@H]1C[NH2+]C[C@@H]1C)c1ccccc1 ZINC000111266136 186383211 /nfs/dbraw/zinc/38/32/11/186383211.db2.gz SJZUTYWUFDRAPO-CFVMTHIKSA-N 1 0 260.381 2.500 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)N(C)CCOc1ccccc1Cl ZINC000111268344 186383848 /nfs/dbraw/zinc/38/38/48/186383848.db2.gz HSONUTQSZYYKCY-NWDGAFQWSA-N 1 0 296.798 2.033 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)N(Cc1ccsc1)C1CC1 ZINC000111270761 186383986 /nfs/dbraw/zinc/38/39/86/186383986.db2.gz ZZEFSBFPEYPPEW-GWCFXTLKSA-N 1 0 264.394 2.095 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)N(Cc1cccs1)C1CC1 ZINC000111268651 186384237 /nfs/dbraw/zinc/38/42/37/186384237.db2.gz WPYFPKGHFNJWJF-GXFFZTMASA-N 1 0 264.394 2.095 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCCCC[C@@H]1c1cccn1C ZINC000111268285 186384483 /nfs/dbraw/zinc/38/44/83/186384483.db2.gz APYZALRACUWMMT-OFQRWUPVSA-N 1 0 289.423 2.324 10 0 CEAERO CN(C(=O)c1ccc(C[NH3+])cn1)[C@@H]1CCc2ccccc21 ZINC000111281560 186387871 /nfs/dbraw/zinc/38/78/71/186387871.db2.gz REJXVEKLRXAVRT-MRXNPFEDSA-N 1 0 281.359 2.300 10 0 CEAERO CCOc1cccc(NC(=O)c2ccc(C[NH3+])cn2)c1 ZINC000111281889 186387968 /nfs/dbraw/zinc/38/79/68/186387968.db2.gz RPMYAHOSDANWKM-UHFFFAOYSA-N 1 0 271.320 2.191 10 0 CEAERO CCN(C(=O)c1ccc(C[NH3+])cn1)C1CCCCC1 ZINC000111281090 186388267 /nfs/dbraw/zinc/38/82/67/186388267.db2.gz FGVSUVGWSDDJQG-UHFFFAOYSA-N 1 0 261.369 2.335 10 0 CEAERO C[C@@H]1CCC[C@@H](N(C)C(=O)c2ccc(C[NH3+])cn2)C1 ZINC000111281755 186388406 /nfs/dbraw/zinc/38/84/06/186388406.db2.gz DUJCWYDPAZAKRN-DGCLKSJQSA-N 1 0 261.369 2.191 10 0 CEAERO C[C@@H](NC(=O)c1ccc(C[NH3+])cn1)c1ccccc1F ZINC000111281854 186388578 /nfs/dbraw/zinc/38/85/78/186388578.db2.gz NPHCSGLMNFAVBB-SNVBAGLBSA-N 1 0 273.311 2.170 10 0 CEAERO CN(C[C@H]1C[C@H]2CC[C@@H]1C2)C(=O)c1ccc(C[NH3+])cn1 ZINC000111282633 186390268 /nfs/dbraw/zinc/39/02/68/186390268.db2.gz GSEDTUDBCFCECN-IACUBPJLSA-N 1 0 273.380 2.049 10 0 CEAERO CC[C@H]([NH3+])CNC(=O)c1cc(Cl)cn1C(C)C ZINC000111303860 186393854 /nfs/dbraw/zinc/39/38/54/186393854.db2.gz TWLFBFUYLUSWMV-JTQLQIEISA-N 1 0 257.765 2.190 10 0 CEAERO CC[C@@H]1CCCN(c2nc3ccccn3c2CC[NH3+])C1 ZINC000111480041 186421442 /nfs/dbraw/zinc/42/14/42/186421442.db2.gz NTRYTKJYEZKVHL-CYBMUJFWSA-N 1 0 272.396 2.462 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccc(N(CCOC)[C@@H](C)COC)cc1 ZINC000111509522 186424639 /nfs/dbraw/zinc/42/46/39/186424639.db2.gz ASEIMUAPXUDZAQ-GOEBONIOSA-N 1 0 294.439 2.454 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc(F)ccc1N(C)CCOC ZINC000111509660 186425063 /nfs/dbraw/zinc/42/50/63/186425063.db2.gz XOBOQLBQVRILKH-CYBMUJFWSA-N 1 0 254.349 2.188 10 0 CEAERO Cc1cc(-n2nnc(-c3ccccc3)n2)ccc1CC[NH3+] ZINC000111512176 186426053 /nfs/dbraw/zinc/42/60/53/186426053.db2.gz NBUFBAAJQJJVMU-UHFFFAOYSA-N 1 0 279.347 2.139 10 0 CEAERO CCC[NH2+]Cc1ccccc1SCCS(C)(=O)=O ZINC000111553343 186427908 /nfs/dbraw/zinc/42/79/08/186427908.db2.gz VZMHNAFMYYOQJI-UHFFFAOYSA-N 1 0 287.450 2.323 10 0 CEAERO CCC[C@H](C)NC(=O)[C@H](C)N1CCCC[C@@H]1C[NH2+]C1CC1 ZINC000111703398 186448077 /nfs/dbraw/zinc/44/80/77/186448077.db2.gz PWXGFRSEIXUFKH-OFQRWUPVSA-N 1 0 295.471 2.286 10 0 CEAERO CCCCNC(=O)[C@@H](C)N1CCCC[C@@H]1C[NH2+]CC(C)C ZINC000111704390 186448332 /nfs/dbraw/zinc/44/83/32/186448332.db2.gz FCFMTBUDMNINRE-HZPDHXFCSA-N 1 0 297.487 2.391 10 0 CEAERO CCC[NH2+][C@@H](C)[C@@H]1CCCCN1Cc1ncccn1 ZINC000111712225 186449090 /nfs/dbraw/zinc/44/90/90/186449090.db2.gz SHXOMRIIPBYPQT-KBPBESRZSA-N 1 0 262.401 2.219 10 0 CEAERO O=C(CCOC1CC[NH2+]CC1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000111800206 186459311 /nfs/dbraw/zinc/45/93/11/186459311.db2.gz APHLHUAYHCSGRP-HOCLYGCPSA-N 1 0 294.439 2.326 10 0 CEAERO CC(C)CN(CC[NH+](C)C)C(=O)OCC(F)(F)F ZINC000112829424 186535073 /nfs/dbraw/zinc/53/50/73/186535073.db2.gz XADISRQIYGNWGH-UHFFFAOYSA-N 1 0 270.295 2.205 10 0 CEAERO CNC(=O)c1ccc(C[NH2+][C@@H]2COc3ccccc32)cc1 ZINC000070070215 363026102 /nfs/dbraw/zinc/02/61/02/363026102.db2.gz HYZMIDNEWLSFTK-OAHLLOKOSA-N 1 0 282.343 2.270 10 0 CEAERO NC(=O)c1ccc(C[NH2+][C@H]2COc3ccccc32)cc1 ZINC000070070174 363026119 /nfs/dbraw/zinc/02/61/19/363026119.db2.gz SJWSOWLBMVLLTO-AWEZNQCLSA-N 1 0 268.316 2.009 10 0 CEAERO CO[C@@H]1C[NH2+][C@](C)(c2nc(-c3cccs3)no2)C1 ZINC000629676120 351462722 /nfs/dbraw/zinc/46/27/22/351462722.db2.gz CMHIXZOEXDASRT-UFBFGSQYSA-N 1 0 265.338 2.022 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1[nH]nc2ccccc21 ZINC000070287203 363067860 /nfs/dbraw/zinc/06/78/60/363067860.db2.gz DPWIGJZZJPMZGZ-GFCCVEGCSA-N 1 0 288.395 2.269 10 0 CEAERO C[C@H]1C[NH2+]CCN1C(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000094546149 290933778 /nfs/dbraw/zinc/93/37/78/290933778.db2.gz RCANSLIPCGQJJF-ORVZXPRGSA-N 1 0 276.424 2.413 10 0 CEAERO COc1ccc(-c2noc([C@@H]3CCC[NH2+]C3)n2)cc1F ZINC000070458798 363086275 /nfs/dbraw/zinc/08/62/75/363086275.db2.gz FDLFHFFJEUBFRZ-SNVBAGLBSA-N 1 0 277.299 2.351 10 0 CEAERO COCc1cc(N2CC[C@@H]([NH3+])C2)nc(-c2ccc(C)cc2)n1 ZINC000070455796 363084552 /nfs/dbraw/zinc/08/45/52/363084552.db2.gz QVPIYGIQQQDBGI-CQSZACIVSA-N 1 0 298.390 2.136 10 0 CEAERO CO[C@H]1CN(Cc2ccc(Cl)s2)[C@@](C)(C[NH3+])C1 ZINC000630361131 351712553 /nfs/dbraw/zinc/71/25/53/351712553.db2.gz LYKKSAXSIFLMDU-BXKDBHETSA-N 1 0 274.817 2.340 10 0 CEAERO CO[C@H]1CN(Cc2nc3ccccc3s2)[C@](C)(C[NH3+])C1 ZINC000630367301 351714362 /nfs/dbraw/zinc/71/43/62/351714362.db2.gz NRPOGOYDBSRQRW-ABAIWWIYSA-N 1 0 291.420 2.234 10 0 CEAERO CS(=O)(=O)c1ccc(N[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000630557261 351784779 /nfs/dbraw/zinc/78/47/79/351784779.db2.gz OHLYBKJMSLAAET-HAQNSBGRSA-N 1 0 282.409 2.020 10 0 CEAERO C[C@@H]1CN(c2ncccc2C(F)(F)F)C[C@H]1C[NH3+] ZINC000630572751 351788804 /nfs/dbraw/zinc/78/88/04/351788804.db2.gz SARHAQSHRMQUJP-RKDXNWHRSA-N 1 0 259.275 2.131 10 0 CEAERO C[C@@H](N[C@H](C[NH+](C)C)c1ccccc1)c1cnccn1 ZINC000070477572 363089546 /nfs/dbraw/zinc/08/95/46/363089546.db2.gz PJGDNZZPARWNQD-CZUORRHYSA-N 1 0 270.380 2.430 10 0 CEAERO [NH3+]C[C@H]1CN(c2ccccn2)CC[C@@H]1C(F)(F)F ZINC000630529840 351774023 /nfs/dbraw/zinc/77/40/23/351774023.db2.gz XBULQOPXGYVXCR-UWVGGRQHSA-N 1 0 259.275 2.045 10 0 CEAERO C[C@H](C[NH2+]C(C)(C)C)CN1C(=O)c2ccccc2C1=O ZINC000070526644 363092949 /nfs/dbraw/zinc/09/29/49/363092949.db2.gz CYRPWSCKMAPXLL-LLVKDONJSA-N 1 0 274.364 2.307 10 0 CEAERO CC(C)n1cccc1C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000121997706 187009510 /nfs/dbraw/zinc/00/95/10/187009510.db2.gz XXIZFFCLADZRKF-ZIAGYGMSSA-N 1 0 275.396 2.378 10 0 CEAERO CCc1oc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1C ZINC000123048094 187068039 /nfs/dbraw/zinc/06/80/39/187068039.db2.gz ZGVXPZSFHMFXQV-QWHCGFSZSA-N 1 0 276.380 2.459 10 0 CEAERO [NH3+]CCOc1ccc(NC(=O)c2ccncc2Cl)cc1 ZINC000122477764 187034223 /nfs/dbraw/zinc/03/42/23/187034223.db2.gz HRYMRIBZXZFBRR-UHFFFAOYSA-N 1 0 291.738 2.325 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)NCC2(C)CCC2)[C@@H](C)C1 ZINC000122923737 187059944 /nfs/dbraw/zinc/05/99/44/187059944.db2.gz WBWXYYUIBYXJSH-STQMWFEESA-N 1 0 267.417 2.205 10 0 CEAERO Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)N1CCOCC1)CC2 ZINC000123445351 187092150 /nfs/dbraw/zinc/09/21/50/187092150.db2.gz BSBFNWCKFVJZLZ-RHSMWYFYSA-N 1 0 274.408 2.293 10 0 CEAERO CCC[C@@H](C(=O)N1CCS[C@@H](CC)C1)[NH+](C)C ZINC000123621983 187101331 /nfs/dbraw/zinc/10/13/31/187101331.db2.gz BQZQFSJQZZPWLH-RYUDHWBXSA-N 1 0 258.431 2.071 10 0 CEAERO CC[C@](C)(O)C[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC000123669474 187103939 /nfs/dbraw/zinc/10/39/39/187103939.db2.gz IDPLBAZAVFHRCB-INIZCTEOSA-N 1 0 280.387 2.104 10 0 CEAERO CC(=O)c1ccc(NC(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)cc1 ZINC000123935428 187115274 /nfs/dbraw/zinc/11/52/74/187115274.db2.gz PFZJBHZBXDEONU-IAQYHMDHSA-N 1 0 289.379 2.303 10 0 CEAERO C[C@H](COCc1ccccc1)[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631083550 351954852 /nfs/dbraw/zinc/95/48/52/351954852.db2.gz IYMAMNAVCFPDCT-CYBMUJFWSA-N 1 0 272.348 2.482 10 0 CEAERO C[C@H]1CN(c2cccc(Br)c2)CC[NH2+]1 ZINC000071576405 363110412 /nfs/dbraw/zinc/11/04/12/363110412.db2.gz WYJHLGRREDUOSD-VIFPVBQESA-N 1 0 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CBRMRLSFKHUJPB-QLFBSQMISA-N 1 0 277.412 2.477 10 0 CEAERO C[C@@H]1C[C@@H]1NC(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000154179507 188127820 /nfs/dbraw/zinc/12/78/20/188127820.db2.gz SJCFMKBZLVQBTP-CLWVCHIJSA-N 1 0 287.407 2.357 10 0 CEAERO CSc1ccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)o1 ZINC000155371125 188201656 /nfs/dbraw/zinc/20/16/56/188201656.db2.gz JRXCQFURWSMNHQ-QWRGUYRKSA-N 1 0 282.409 2.460 10 0 CEAERO COc1cc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)ccc1C ZINC000155746507 188225150 /nfs/dbraw/zinc/22/51/50/188225150.db2.gz QBZMHKOZSCVYJZ-DZGCQCFKSA-N 1 0 290.407 2.462 10 0 CEAERO C[C@@H]([NH3+])C(=O)NCCc1cccc(OCc2ccccc2)c1 ZINC000158132932 188359336 /nfs/dbraw/zinc/35/93/36/188359336.db2.gz KRFISTOZNRYVNK-CQSZACIVSA-N 1 0 298.386 2.272 10 0 CEAERO Nc1ccc2c(c1)C=[NH+]CCN2C(=O)c1ccc(F)cc1 ZINC000073642236 363237302 /nfs/dbraw/zinc/23/73/02/363237302.db2.gz MPTFZCAFZRMHPQ-UHFFFAOYSA-N 1 0 283.306 2.487 10 0 CEAERO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCSc1ccccc1 ZINC000074330350 363325202 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ZINC000575548287 366294882 /nfs/dbraw/zinc/29/48/82/366294882.db2.gz CRBJGCGSHFOUMM-UHFFFAOYSA-N 1 0 250.186 2.411 10 0 CEAERO C[C@H]1C[C@]([NH3+])(c2cscc2Br)CO1 ZINC000575566320 366295887 /nfs/dbraw/zinc/29/58/87/366295887.db2.gz UBRMBZIPDINDCE-IMTBSYHQSA-N 1 0 262.172 2.473 10 0 CEAERO CCOc1ccccc1OCC[N@@H+]1CC[C@@H](CCO)C1 ZINC000075767694 363488031 /nfs/dbraw/zinc/48/80/31/363488031.db2.gz IFLRLDPTQFMVFS-AWEZNQCLSA-N 1 0 279.380 2.168 10 0 CEAERO C[C@H]1C[C@H]1NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000075959446 363502755 /nfs/dbraw/zinc/50/27/55/363502755.db2.gz DFYWSGFGEVNSFB-XJKSGUPXSA-N 1 0 287.407 2.359 10 0 CEAERO C[C@@H]1C[C@@H]1NC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000076048715 363512222 /nfs/dbraw/zinc/51/22/22/363512222.db2.gz AANDRDHUNVFJDX-VWYCJHECSA-N 1 0 267.398 2.058 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H](C)C1CCOCC1 ZINC000134816691 366363073 /nfs/dbraw/zinc/36/30/73/366363073.db2.gz COANYTGBUUCECG-UKRRQHHQSA-N 1 0 299.459 2.077 10 0 CEAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CCn1cc(Cl)cn1 ZINC000336322434 213166975 /nfs/dbraw/zinc/16/69/75/213166975.db2.gz ZRGAQLMXFBHGSK-GXTWGEPZSA-N 1 0 282.819 2.095 10 0 CEAERO Cn1c2ccccc2nc1N1CCC(CC[NH3+])CC1 ZINC000079048755 363569707 /nfs/dbraw/zinc/56/97/07/363569707.db2.gz JGDLUKSUFDEHFM-UHFFFAOYSA-N 1 0 258.369 2.139 10 0 CEAERO O=C1NCCC[C@H]1[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000087816431 538807634 /nfs/dbraw/zinc/80/76/34/538807634.db2.gz ZXBNUAPUFBWHOT-HUUCEWRRSA-N 1 0 283.375 2.414 10 0 CEAERO [NH3+]C[C@]12CCC[C@H]1CN(c1ncnc3ccsc31)C2 ZINC000388620017 540328435 /nfs/dbraw/zinc/32/84/35/540328435.db2.gz SPTARMUHFCRQKA-HZMBPMFUSA-N 1 0 274.393 2.257 10 0 CEAERO O[C@H]1CCC[C@H]1[C@H]1CCC[N@@H+]1C[C@H]1CCC[C@@H](O)C1 ZINC000389067857 540337170 /nfs/dbraw/zinc/33/71/70/540337170.db2.gz VMXTVPAWSXYZAQ-NPJQDHAYSA-N 1 0 267.413 2.163 10 0 CEAERO C[C@H]1C[C@H](NC(=O)N2CC[C@@H]([NH+](C)C)C2)C[C@@H](C)C1 ZINC000246776284 291137520 /nfs/dbraw/zinc/13/75/20/291137520.db2.gz BUKCLRAFRIXQBO-ZOBORPQBSA-N 1 0 267.417 2.157 10 0 CEAERO C[C@H](COCc1ccccc1)[NH2+][C@@H]1CCCC[C@H]1O ZINC000390633349 540393011 /nfs/dbraw/zinc/39/30/11/540393011.db2.gz BEGFEVLDLUIWTB-FVQBIDKESA-N 1 0 263.381 2.485 10 0 CEAERO CN(Cc1cccc(O)c1Cl)C[C@@H]1CC[N@H+](C)C1 ZINC000294770711 199174970 /nfs/dbraw/zinc/17/49/70/199174970.db2.gz SWBXFHWLYLNCIG-LLVKDONJSA-N 1 0 268.788 2.429 10 0 CEAERO COc1c(C[NH2+]CCCC(F)(F)F)c(C)nn1C ZINC000135381453 366433459 /nfs/dbraw/zinc/43/34/59/366433459.db2.gz CBHULCVZFFCQNF-UHFFFAOYSA-N 1 0 265.279 2.169 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)[C@@H](C)C1CC1 ZINC000079495348 363608983 /nfs/dbraw/zinc/60/89/83/363608983.db2.gz XZLRUEJPSYOVML-GXTWGEPZSA-N 1 0 269.433 2.403 10 0 CEAERO C[C@]1(C(=O)NCCCn2ccc3ccccc32)CCC[NH2+]1 ZINC000079519711 363612821 /nfs/dbraw/zinc/61/28/21/363612821.db2.gz NSLAMBNJSQCZRB-QGZVFWFLSA-N 1 0 285.391 2.290 10 0 CEAERO Cc1nc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C)c(C)s1 ZINC000393029228 540436885 /nfs/dbraw/zinc/43/68/85/540436885.db2.gz JCQCGTXRGUSIRI-DKCNOQQISA-N 1 0 267.398 2.078 10 0 CEAERO CCCS(=O)(=O)Nc1ccccc1[C@H](C)[NH2+]C ZINC000035645003 283455148 /nfs/dbraw/zinc/45/51/48/283455148.db2.gz NJUSVIUNIXKBPK-JTQLQIEISA-N 1 0 256.371 2.119 10 0 CEAERO [NH3+]C[C@@H]1CCCN1Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000128171810 283474082 /nfs/dbraw/zinc/47/40/82/283474082.db2.gz SLHJVRIIKJFPJJ-LBPRGKRZSA-N 1 0 296.798 2.424 10 0 CEAERO CN1CC[NH+]([C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000685961517 540662796 /nfs/dbraw/zinc/66/27/96/540662796.db2.gz SIPIXKVIJVFEBX-MRXNPFEDSA-N 1 0 297.443 2.023 10 0 CEAERO [NH3+]C[C@H]1CCCN(c2nc3ccccc3nc2Cl)C1 ZINC000095072505 283506253 /nfs/dbraw/zinc/50/62/53/283506253.db2.gz BDFOTDPUGAXOHS-SNVBAGLBSA-N 1 0 276.771 2.458 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@H]1Nc1ncncc1Br ZINC000085467169 283505201 /nfs/dbraw/zinc/50/52/01/283505201.db2.gz LLQNZAAWJXLEON-PSASIEDQSA-N 1 0 285.189 2.169 10 0 CEAERO Cc1cccc([C@@H](C)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000151340487 366640306 /nfs/dbraw/zinc/64/03/06/366640306.db2.gz MSCPQLCXQXRJNJ-WBVHZDCISA-N 1 0 276.424 2.492 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CCc1ccccc1O ZINC000176976305 189017865 /nfs/dbraw/zinc/01/78/65/189017865.db2.gz JRVUUZJBBOQQOK-OAHLLOKOSA-N 1 0 290.407 2.268 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccccn1 ZINC000177024935 189022057 /nfs/dbraw/zinc/02/20/57/189022057.db2.gz RJFNLAXBNMRNCI-LBPRGKRZSA-N 1 0 262.357 2.030 10 0 CEAERO CCC[C@H](C)NC(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000673849752 540700310 /nfs/dbraw/zinc/70/03/10/540700310.db2.gz XLRSIKPPFCSGAT-QWHCGFSZSA-N 1 0 255.406 2.301 10 0 CEAERO Cc1ccc(C[N@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000177257434 189040258 /nfs/dbraw/zinc/04/02/58/189040258.db2.gz QSDVWPOONQCNSA-NVXWUHKLSA-N 1 0 274.408 2.148 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1cccc(F)c1 ZINC000177361426 189045784 /nfs/dbraw/zinc/04/57/84/189045784.db2.gz GIWANYZZCMQJNX-OAHLLOKOSA-N 1 0 293.386 2.451 10 0 CEAERO C[C@H](C(=O)Nc1ccccc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177755753 189067301 /nfs/dbraw/zinc/06/73/01/189067301.db2.gz WTCHLTFHDDADNI-GDBMZVCRSA-N 1 0 287.407 2.184 10 0 CEAERO CC(C)Cc1ccc([C@H](C)[NH2+][C@@H]2CCNC2=O)cc1 ZINC000179059131 189165863 /nfs/dbraw/zinc/16/58/63/189165863.db2.gz ASUMBCJATNPVLJ-SWLSCSKDSA-N 1 0 260.381 2.424 10 0 CEAERO [NH3+][C@@H]1CC[C@H]2CN(c3cncc(Br)c3)C[C@@H]12 ZINC000261584593 283600979 /nfs/dbraw/zinc/60/09/79/283600979.db2.gz PZPDQKPQTOJSTF-XXILOJSOSA-N 1 0 282.185 2.018 10 0 CEAERO CCc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCc3ncnn3C2)s1 ZINC000180580793 189263735 /nfs/dbraw/zinc/26/37/35/189263735.db2.gz XGSUELXLKMNYFD-MWLCHTKSSA-N 1 0 291.424 2.271 10 0 CEAERO CCOc1ccc([C@H](C)[NH2+][C@H]2CCc3ncnn3C2)cc1 ZINC000180591225 189263935 /nfs/dbraw/zinc/26/39/35/189263935.db2.gz LRJGTYRYTANOPT-JSGCOSHPSA-N 1 0 286.379 2.342 10 0 CEAERO COc1ccc([C@H](C)[NH2+][C@@H]2CCc3ncnn3C2)c(F)c1 ZINC000180605307 189265167 /nfs/dbraw/zinc/26/51/67/189265167.db2.gz 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XHUDUZRBVISNAK-VHSXEESVSA-N 1 0 277.299 2.383 10 0 CEAERO Clc1ccc(SCCN[C@@H]2CC[NH2+]C2)cc1 ZINC000262136877 371828494 /nfs/dbraw/zinc/82/84/94/371828494.db2.gz OIVWIYMAFUXDTI-LLVKDONJSA-N 1 0 256.802 2.384 10 0 CEAERO C[C@H](CN1CCN(C)CC1)[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000262317730 371851285 /nfs/dbraw/zinc/85/12/85/371851285.db2.gz DTMNUNLPDWFBFX-FMKPAKJESA-N 1 0 291.439 2.129 10 0 CEAERO CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NCC[C@@H](C)[NH3+] ZINC000262529945 371873331 /nfs/dbraw/zinc/87/33/31/371873331.db2.gz GJZCWOZFWQDIJD-DGAVXFQQSA-N 1 0 270.417 2.214 10 0 CEAERO COC[C@H]([NH3+])C(=O)N([C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000262551838 371875486 /nfs/dbraw/zinc/87/54/86/371875486.db2.gz OVDFNWWEDMTECF-YGRLFVJLSA-N 1 0 296.798 2.366 10 0 CEAERO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000262607666 371884339 /nfs/dbraw/zinc/88/43/39/371884339.db2.gz CEJRHGSGTYEVTE-OAGGEKHMSA-N 1 0 290.407 2.004 10 0 CEAERO COC[C@H]([NH3+])C(=O)N(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000262606416 371884522 /nfs/dbraw/zinc/88/45/22/371884522.db2.gz YENDGEBPACHRMD-WDMOLILDSA-N 1 0 298.814 2.264 10 0 CEAERO CCCOc1ccc([C@H](C)[NH2+]CCn2cncn2)cc1 ZINC000268787511 372222735 /nfs/dbraw/zinc/22/27/35/372222735.db2.gz ATQBHBKISKSYBP-ZDUSSCGKSA-N 1 0 274.368 2.418 10 0 CEAERO [NH3+][C@H]1CC[C@H](C(=O)NCCc2ccccc2Cl)C1 ZINC000237940810 189894762 /nfs/dbraw/zinc/89/47/62/189894762.db2.gz YKGUISONJUOTAV-RYUDHWBXSA-N 1 0 266.772 2.126 10 0 CEAERO COC[C@]1(C(=O)Nc2cccc(SC)c2)CCC[NH2+]1 ZINC000643614515 373220331 /nfs/dbraw/zinc/22/03/31/373220331.db2.gz APBMWNIQHIUPAP-AWEZNQCLSA-N 1 0 280.393 2.116 10 0 CEAERO COC[C@]1(C(=O)N[C@@H](C)CCCC(C)C)CCC[NH2+]1 ZINC000643615169 373220368 /nfs/dbraw/zinc/22/03/68/373220368.db2.gz DFDYNFJKLLIKNL-ZFWWWQNUSA-N 1 0 270.417 2.086 10 0 CEAERO COC[C@]1(C(=O)N[C@@H](C)c2ccc(Cl)cc2)CCC[NH2+]1 ZINC000643619746 373222850 /nfs/dbraw/zinc/22/28/50/373222850.db2.gz FZICOYXYQBYNTA-NHYWBVRUSA-N 1 0 296.798 2.286 10 0 CEAERO 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C[C@H]1C[C@H](O)C[N@H+](Cc2nc3ccccc3s2)C1 ZINC000334826075 207144362 /nfs/dbraw/zinc/14/43/62/207144362.db2.gz JZXGIEVBBWOGPK-QWRGUYRKSA-N 1 0 262.378 2.499 10 0 CEAERO CC1(C)CN(C(=O)NC[C@@H]2CCCCS2)CC[C@H]1[NH3+] ZINC000334951552 207345795 /nfs/dbraw/zinc/34/57/95/207345795.db2.gz QWJJQRUDQBSDTH-NWDGAFQWSA-N 1 0 285.457 2.041 10 0 CEAERO CCc1ccc(C(=O)N[C@H]2CCCC[C@@H]2[NH3+])s1 ZINC000049851709 184564919 /nfs/dbraw/zinc/56/49/19/184564919.db2.gz NZKVRAPDLADRGT-QWRGUYRKSA-N 1 0 252.383 2.310 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(S[C@@H](C)C(N)=O)cc1 ZINC000079581884 184594591 /nfs/dbraw/zinc/59/45/91/184594591.db2.gz ZXKYZOQDAFHTQG-UWVGGRQHSA-N 1 0 252.383 2.323 10 0 CEAERO C[NH2+][C@@H]1CCC[C@H]1Sc1nnc2n1CCCCC2 ZINC000081865805 184598509 /nfs/dbraw/zinc/59/85/09/184598509.db2.gz RYNZIPUTBFEYBR-GHMZBOCLSA-N 1 0 266.414 2.237 10 0 CEAERO [NH3+]CC1(OCC(=O)NC2CCCCC2)CCCCC1 ZINC000086711345 184610623 /nfs/dbraw/zinc/61/06/23/184610623.db2.gz PZRIMVDXJBSNAQ-UHFFFAOYSA-N 1 0 268.401 2.114 10 0 CEAERO Cc1c(C[NH2+]C2CC2)cccc1S(=O)(=O)N(C)C1CC1 ZINC000088941248 184614830 /nfs/dbraw/zinc/61/48/30/184614830.db2.gz PJIYFHXQWJNAIQ-UHFFFAOYSA-N 1 0 294.420 2.030 10 0 CEAERO CCc1ccc(C[NH3+])cc1S(=O)(=O)N(C)[C@@H](C)C1CC1 ZINC000088962895 184615624 /nfs/dbraw/zinc/61/56/24/184615624.db2.gz WUJYTGWVCHJISM-NSHDSACASA-N 1 0 296.436 2.127 10 0 CEAERO [NH3+]CC1CC(OC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000092745067 184624824 /nfs/dbraw/zinc/62/48/24/184624824.db2.gz UMGJPOKTQVKAIS-UHFFFAOYSA-N 1 0 278.396 2.419 10 0 CEAERO C[C@@H]1CCC[C@](C[NH2+]CCC(C)(C)O)(N(C)C)C1 ZINC000092801094 184627677 /nfs/dbraw/zinc/62/76/77/184627677.db2.gz MJIWAYGZMFJAMM-HIFRSBDPSA-N 1 0 256.434 2.248 10 0 CEAERO CCC[NH2+][C@@H]1CCN(CC2C(C)(C)C2(C)C)C1=O ZINC000092817212 184627909 /nfs/dbraw/zinc/62/79/09/184627909.db2.gz XPCDJAWMEPGXMU-LLVKDONJSA-N 1 0 252.402 2.269 10 0 CEAERO COC(=O)[C@@H](C)[C@H](C)[NH2+]CCc1cc(F)cc(F)c1 ZINC000093029137 184643674 /nfs/dbraw/zinc/64/36/74/184643674.db2.gz BDXWHTFDQPXBBO-UWVGGRQHSA-N 1 0 271.307 2.295 10 0 CEAERO COC(=O)c1cc(Cl)ccc1NC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000092951783 184637010 /nfs/dbraw/zinc/63/70/10/184637010.db2.gz JNRKCRAQKTVUPF-PSASIEDQSA-N 1 0 296.754 2.063 10 0 CEAERO CC[N@H+](Cc1ccc(N)c2cccnc12)CC(C)(C)O ZINC000092964490 184638004 /nfs/dbraw/zinc/63/80/04/184638004.db2.gz LQWJAWNWXVHQOQ-UHFFFAOYSA-N 1 0 273.380 2.410 10 0 CEAERO Cc1cccc([C@@H](C[NH2+]C(C)C)Cc2ncnn2C)c1 ZINC000093126958 184650557 /nfs/dbraw/zinc/65/05/57/184650557.db2.gz IFRQRJISRWSCNE-OAHLLOKOSA-N 1 0 272.396 2.448 10 0 CEAERO [NH3+]CCOCC(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000093230952 184657011 /nfs/dbraw/zinc/65/70/11/184657011.db2.gz IYKLCJSJBYNKSG-UHFFFAOYSA-N 1 0 296.676 2.273 10 0 CEAERO CCc1nnc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2CC)s1 ZINC000392153272 542375131 /nfs/dbraw/zinc/37/51/31/542375131.db2.gz ZREHTNMDDYJUGH-NWDGAFQWSA-N 1 0 280.441 2.159 10 0 CEAERO CC(C)(C)OC(=O)NC1CCC(C(=[NH2+])NO)CC1 ZINC000725241158 542374127 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/nfs/dbraw/zinc/67/34/08/184673408.db2.gz GWESPDZZTZZUQR-UHFFFAOYSA-N 1 0 276.380 2.077 10 0 CEAERO [NH3+]CC1CCC(c2nc(Cc3ccccn3)no2)CC1 ZINC000093430625 184674037 /nfs/dbraw/zinc/67/40/37/184674037.db2.gz UMIDJUOYAAWKLO-UHFFFAOYSA-N 1 0 272.352 2.288 10 0 CEAERO C[C@H](C[C@H]1CCC[NH2+]1)Nc1ccc2oc(=O)[nH]c2c1 ZINC000093464656 184678465 /nfs/dbraw/zinc/67/84/65/184678465.db2.gz HMMHPZIKLZUYQN-NXEZZACHSA-N 1 0 261.325 2.064 10 0 CEAERO C[NH2+][C@@H]1c2ccc(OC)cc2CC[C@@H]1SCC(=O)OC ZINC000081793132 177861020 /nfs/dbraw/zinc/86/10/20/177861020.db2.gz SKXWFNYOZLXRPE-DZGCQCFKSA-N 1 0 295.404 2.177 10 0 CEAERO C[NH2+][C@@H]1CCC[C@@H]1Sc1nnnn1C1CCCC1 ZINC000081866626 177866508 /nfs/dbraw/zinc/86/65/08/177866508.db2.gz VADYXBKBMHMQFY-MNOVXSKESA-N 1 0 267.402 2.021 10 0 CEAERO O=C(CC1C[NH2+]C1)Nc1ccc(Cl)c2ncccc12 ZINC000081748775 177853237 /nfs/dbraw/zinc/85/32/37/177853237.db2.gz CZAFTWPUZAFAOS-UHFFFAOYSA-N 1 0 275.739 2.436 10 0 CEAERO O=C(CC1C[NH2+]C1)N[C@@H]1CCSc2ccc(F)cc21 ZINC000081747678 177852430 /nfs/dbraw/zinc/85/24/30/177852430.db2.gz NSUOTGIIWWOHPO-GFCCVEGCSA-N 1 0 280.368 2.088 10 0 CEAERO COC[C@@H]1CCN(c2nc3ccccc3cc2CC[NH3+])C1 ZINC000081121375 177775397 /nfs/dbraw/zinc/77/53/97/177775397.db2.gz ZZMRTIJQZZIXHD-CYBMUJFWSA-N 1 0 285.391 2.209 10 0 CEAERO O=C(Nc1cc(F)ccc1F)[C@@H]1CCCCC[NH2+]1 ZINC000080993229 177749490 /nfs/dbraw/zinc/74/94/90/177749490.db2.gz JLEOSWFMFYSPRQ-NSHDSACASA-N 1 0 254.280 2.436 10 0 CEAERO NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000379442073 256846228 /nfs/dbraw/zinc/84/62/28/256846228.db2.gz QOCQBJHQQKBBMA-IAGOWNOFSA-N 1 0 280.371 2.388 10 0 CEAERO CC[C@@](C)(C[NH3+])NC(=O)c1ccc(OC(F)F)cc1 ZINC000080885311 177723123 /nfs/dbraw/zinc/72/31/23/177723123.db2.gz SUHMPMLPWNUORD-ZDUSSCGKSA-N 1 0 272.295 2.145 10 0 CEAERO C[C@H](O)c1csc(N2CC[NH+](C3CCCC3)CC2)n1 ZINC000080833008 177713629 /nfs/dbraw/zinc/71/36/29/177713629.db2.gz UVGRSFGBIQFQHP-NSHDSACASA-N 1 0 281.425 2.261 10 0 CEAERO CCO[C@H](C)[C@@H](O)Cc1[nH+]cc(C)c(OC)c1C ZINC000080742592 177697089 /nfs/dbraw/zinc/69/70/89/177697089.db2.gz NCPSNCGSLOHSOZ-YPMHNXCESA-N 1 0 253.342 2.035 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1CCn1cc(C(F)(F)F)ccc1=O ZINC000093557541 184690712 /nfs/dbraw/zinc/69/07/12/184690712.db2.gz UOUIYTQHNJGZEX-GXSJLCMTSA-N 1 0 274.286 2.385 10 0 CEAERO CN(C)c1nnc(SCC[C@H]2CCC[C@@H]2[NH3+])s1 ZINC000093577830 184691748 /nfs/dbraw/zinc/69/17/48/184691748.db2.gz RCGVFCNLCWSDFC-BDAKNGLRSA-N 1 0 272.443 2.214 10 0 CEAERO CC[NH2+][C@@]1(CO)CCC[C@@H]1CCOc1ccc(CO)cc1 ZINC000093619634 184697533 /nfs/dbraw/zinc/69/75/33/184697533.db2.gz RHRWUYQXIOOFIE-NVXWUHKLSA-N 1 0 293.407 2.089 10 0 CEAERO C[NH2+][C@H]1CCC[C@H]1CCS(=O)(=O)c1ccc(OC)cc1 ZINC000093622994 184697634 /nfs/dbraw/zinc/69/76/34/184697634.db2.gz ZLMPQZJVMPRDQC-WFASDCNBSA-N 1 0 297.420 2.247 10 0 CEAERO CCCCSCC[C@@H]1CCC[C@]1([NH2+]C)C(N)=O ZINC000093626647 184698009 /nfs/dbraw/zinc/69/80/09/184698009.db2.gz CFYVFDLGTBIRNA-WCQYABFASA-N 1 0 258.431 2.153 10 0 CEAERO Cc1nc2ccccc2n1CC[C@H]1CCC[C@]1(O)C[NH3+] ZINC000093627330 184698768 /nfs/dbraw/zinc/69/87/68/184698768.db2.gz YBHQYYRTBBMEMX-CJNGLKHVSA-N 1 0 273.380 2.225 10 0 CEAERO Cc1c(-c2ncc3c(n2)CC(C)(C)C[C@H]3[NH3+])cnn1C ZINC000093652106 184702758 /nfs/dbraw/zinc/70/27/58/184702758.db2.gz PAYRNLXSVLBKEC-GFCCVEGCSA-N 1 0 271.368 2.158 10 0 CEAERO CCOC(=O)[C@@]1(NC2CC2)CCC[C@H]([NH+](CC)CC)C1 ZINC000093748565 184712970 /nfs/dbraw/zinc/71/29/70/184712970.db2.gz QPKTYRCHOCHEIJ-GOEBONIOSA-N 1 0 282.428 2.325 10 0 CEAERO CC[NH2+][C@]1(CO)CCC[C@H](N(CC)CC(F)(F)F)C1 ZINC000093782823 184720928 /nfs/dbraw/zinc/72/09/28/184720928.db2.gz YBZKSJRGPCDTCX-NWDGAFQWSA-N 1 0 282.350 2.154 10 0 CEAERO [NH3+][C@]1(CO)CCC[C@@H](n2ccnc2-c2cccs2)C1 ZINC000093784349 184721454 /nfs/dbraw/zinc/72/14/54/184721454.db2.gz GEZGQZBWZQFJOD-BXUZGUMPSA-N 1 0 277.393 2.417 10 0 CEAERO CC[NH2+][C@]1(CO)CCC[C@H](n2cc(Cl)c(C)n2)C1 ZINC000093784385 184721606 /nfs/dbraw/zinc/72/16/06/184721606.db2.gz AUEGSHGOOKKKKL-WCQYABFASA-N 1 0 271.792 2.301 10 0 CEAERO C[NH2+][C@@]1(CO)CCC[C@H](Oc2ccccc2F)C1 ZINC000093785410 184722171 /nfs/dbraw/zinc/72/21/71/184722171.db2.gz OQCGRTAFIHGFPQ-FZMZJTMJSA-N 1 0 253.317 2.098 10 0 CEAERO CCC[NH2+][C@H](c1cc(F)ccc1F)[C@H]1CN(C)CCN1C ZINC000093895658 184740065 /nfs/dbraw/zinc/74/00/65/184740065.db2.gz YERAYISKTHJRRG-HZPDHXFCSA-N 1 0 297.393 2.251 10 0 CEAERO CCN1CCO[C@H]([C@@H](Cc2ccc(Cl)s2)[NH2+]C)C1 ZINC000093914457 184740984 /nfs/dbraw/zinc/74/09/84/184740984.db2.gz KHFCWAZGTNPYMO-NEPJUHHUSA-N 1 0 288.844 2.253 10 0 CEAERO CCN(CC1CC[NH2+]CC1)C(=O)N1CCCCCC1 ZINC000094023579 184751206 /nfs/dbraw/zinc/75/12/06/184751206.db2.gz IWLYBHXNOBTXPE-UHFFFAOYSA-N 1 0 267.417 2.304 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H](c2nc(-c3ccc(F)cn3)no2)C1 ZINC000094043674 184751671 /nfs/dbraw/zinc/75/16/71/184751671.db2.gz RVJAHQJRZDJRFA-PSASIEDQSA-N 1 0 262.288 2.256 10 0 CEAERO CN(CC1CC[NH2+]CC1)c1ncnc2ccccc21 ZINC000094043200 184751800 /nfs/dbraw/zinc/75/18/00/184751800.db2.gz WBSSQEUUQLNJQD-UHFFFAOYSA-N 1 0 256.353 2.066 10 0 CEAERO C[NH2+][C@@H]1CCC[C@H]1c1nc(-c2ccc(F)cn2)no1 ZINC000094051291 184752373 /nfs/dbraw/zinc/75/23/73/184752373.db2.gz DJSKPQUKHXMUEP-NXEZZACHSA-N 1 0 262.288 2.126 10 0 CEAERO Cc1cc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)ncc1Br ZINC000094063700 184752819 /nfs/dbraw/zinc/75/28/19/184752819.db2.gz BPHGWJUQVBKTCV-DTWKUNHWSA-N 1 0 298.184 2.218 10 0 CEAERO C[C@@H](NC(=O)c1ccc(F)c(F)c1F)[C@@H]1CCCC[NH2+]1 ZINC000094184031 184760049 /nfs/dbraw/zinc/76/00/49/184760049.db2.gz OJQOFBVELOQUBJ-KCJUWKMLSA-N 1 0 286.297 2.364 10 0 CEAERO C[C@H](NC(=O)c1ccc(F)c(F)c1F)[C@H]1CCCC[NH2+]1 ZINC000094184032 184760100 /nfs/dbraw/zinc/76/01/00/184760100.db2.gz OJQOFBVELOQUBJ-GZMMTYOYSA-N 1 0 286.297 2.364 10 0 CEAERO Cc1ccccc1CCNC(=O)[C@H]1CC[C@H](C)[NH2+]C1 ZINC000094184783 184760308 /nfs/dbraw/zinc/76/03/08/184760308.db2.gz JZSKPPOHXMQCBF-ZFWWWQNUSA-N 1 0 260.381 2.042 10 0 CEAERO CC[NH2+]C[C@@H](C)Cc1c(C)nn(-c2ccncn2)c1C ZINC000094259448 184771104 /nfs/dbraw/zinc/77/11/04/184771104.db2.gz AOXPQAKUXXQYAF-NSHDSACASA-N 1 0 273.384 2.067 10 0 CEAERO Cc1ccsc1CN(C)C(=O)CC1([NH3+])CCC1 ZINC000094294474 184777321 /nfs/dbraw/zinc/77/73/21/184777321.db2.gz FWQJWVDVJNFOKB-UHFFFAOYSA-N 1 0 252.383 2.286 10 0 CEAERO CCC[NH2+][C@H]1[C@H](SCCS(C)(=O)=O)CCC1(C)C ZINC000094312495 184778489 /nfs/dbraw/zinc/77/84/89/184778489.db2.gz VLZPCGVISZWLKX-NEPJUHHUSA-N 1 0 293.498 2.321 10 0 CEAERO O[C@@H](CN1CC[N@@H+]2CCC[C@@H]2C1)c1cc2ccccc2o1 ZINC000094464021 184805252 /nfs/dbraw/zinc/80/52/52/184805252.db2.gz OYICYUWTXINQBW-CABCVRRESA-N 1 0 286.375 2.246 10 0 CEAERO CC[NH2+][C@H](c1ccncn1)[C@@H]1CCOC2(CCOCC2)C1 ZINC000094403260 184793397 /nfs/dbraw/zinc/79/33/97/184793397.db2.gz HBFUQCIPMRKOOL-HIFRSBDPSA-N 1 0 291.395 2.103 10 0 CEAERO CC(C)C[NH2+]C[C@@H](O)[C@@H]1CCOC2(CCCC2)C1 ZINC000094418539 184795114 /nfs/dbraw/zinc/79/51/14/184795114.db2.gz GZQZXPBWPQGTFP-ZIAGYGMSSA-N 1 0 255.402 2.332 10 0 CEAERO CC(C)[NH2+]CC[C@@](C)(O)[C@@H]1CCOC2(CCC2)C1 ZINC000094418683 184795154 /nfs/dbraw/zinc/79/51/54/184795154.db2.gz SUOGNRLKVOJWPF-ZIAGYGMSSA-N 1 0 255.402 2.475 10 0 CEAERO CC(=O)c1csc(NC(=O)[C@H]2CCCCC[C@H]2[NH3+])n1 ZINC000094754213 184854417 /nfs/dbraw/zinc/85/44/17/184854417.db2.gz MRRWEBINACDJQW-VHSXEESVSA-N 1 0 281.381 2.192 10 0 CEAERO C[NH2+][C@H]([C@@H]1CCOC2(CCC2)C1)[C@@]1(C)CCCO1 ZINC000094783524 184862720 /nfs/dbraw/zinc/86/27/20/184862720.db2.gz UTZKLTRXAANYDT-MGPQQGTHSA-N 1 0 253.386 2.493 10 0 CEAERO C[C@]1(CN[C@@H](C[NH3+])c2cccc(Cl)c2)CCCO1 ZINC000094799269 184866284 /nfs/dbraw/zinc/86/62/84/184866284.db2.gz QNQLBVBONLFYDN-UONOGXRCSA-N 1 0 268.788 2.499 10 0 CEAERO C[NH2+][C@H](Cc1nc([C@H]2CSCCS2)no1)C1CC1 ZINC000094500501 184811110 /nfs/dbraw/zinc/81/11/10/184811110.db2.gz FISVQBPNLXVNKF-NXEZZACHSA-N 1 0 285.438 2.131 10 0 CEAERO C[C@H]1C[C@@H]([NH3+])CN(C(=O)c2coc3ccccc23)C1 ZINC000094548881 184815685 /nfs/dbraw/zinc/81/56/85/184815685.db2.gz CQTIOQQBGRRDOU-WDEREUQCSA-N 1 0 258.321 2.242 10 0 CEAERO COc1ccc(CN2C[C@H]([NH3+])C[C@H](C)C2)cc1F ZINC000094548049 184815792 /nfs/dbraw/zinc/81/57/92/184815792.db2.gz MGGURZPLISMKOB-CMPLNLGQSA-N 1 0 252.333 2.003 10 0 CEAERO CC(C)N(C(=O)CN1C[C@H](C)C[C@@H]([NH3+])C1)C1CCCCC1 ZINC000094551229 184816460 /nfs/dbraw/zinc/81/64/60/184816460.db2.gz OYRLGRAQMSVXPB-HUUCEWRRSA-N 1 0 295.471 2.225 10 0 CEAERO CCC[NH2+][C@@]1(C(N)=O)CCC[C@@H](Sc2ccncc2)C1 ZINC000094615398 184826132 /nfs/dbraw/zinc/82/61/32/184826132.db2.gz GYRCFVYKXNFWKE-HIFRSBDPSA-N 1 0 293.436 2.340 10 0 CEAERO CCC[NH2+][C@@H](C)c1cc(F)ccc1OC[C@H](C)C(N)=O ZINC000094620345 184827596 /nfs/dbraw/zinc/82/75/96/184827596.db2.gz VBBZMYDBUDYPMY-QWRGUYRKSA-N 1 0 282.359 2.387 10 0 CEAERO CC(C)OC[C@H](O)COc1ccc(F)cc1[C@@H](C)[NH3+] ZINC000094619943 184827922 /nfs/dbraw/zinc/82/79/22/184827922.db2.gz ZRHUDTSZBIEEAT-PWSUYJOCSA-N 1 0 271.332 2.010 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccco1 ZINC000094635223 184830961 /nfs/dbraw/zinc/83/09/61/184830961.db2.gz BQGPCWAKUAOLGZ-UTUOFQBUSA-N 1 0 271.382 2.286 10 0 CEAERO CC(C)[C@]1([C@@H]2CCC[C@H](S(C)(=O)=O)C2)CCC[NH2+]1 ZINC000094642847 184831886 /nfs/dbraw/zinc/83/18/86/184831886.db2.gz SGQTYYAQGGDQGP-RDBSUJKOSA-N 1 0 273.442 2.368 10 0 CEAERO Cc1ccc(C[NH3+])cc1NC(=O)c1cccnc1C ZINC000094645962 184832601 /nfs/dbraw/zinc/83/26/01/184832601.db2.gz NCTGZUXUKVTAST-UHFFFAOYSA-N 1 0 255.321 2.409 10 0 CEAERO COCc1ccccc1NC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000094647606 184834165 /nfs/dbraw/zinc/83/41/65/184834165.db2.gz LSOMQFUMTOQWQF-YPMHNXCESA-N 1 0 262.353 2.160 10 0 CEAERO COc1cc(OC)cc([C@](C)(O)C[NH2+]CC(C)C)c1 ZINC000094652426 184834506 /nfs/dbraw/zinc/83/45/06/184834506.db2.gz XQNRMWGRZJQNKM-OAHLLOKOSA-N 1 0 267.369 2.157 10 0 CEAERO CC[NH2+]C1CCC(O)(c2cc(OC)cc(OC)c2)CC1 ZINC000094652399 184834596 /nfs/dbraw/zinc/83/45/96/184834596.db2.gz IXJZRBHLCDWFMP-UHFFFAOYSA-N 1 0 279.380 2.444 10 0 CEAERO Cc1ccc(O[C@H](C)[C@H](C)O)c(C[NH2+]CC(C)C)n1 ZINC000094653694 184835408 /nfs/dbraw/zinc/83/54/08/184835408.db2.gz XHXIBQWSSUYORQ-QWHCGFSZSA-N 1 0 266.385 2.284 10 0 CEAERO O=C([O-])c1ccc(C[NH+]2CCC(C[NH2+]C3CC3)CC2)cc1 ZINC000094657845 184837234 /nfs/dbraw/zinc/83/72/34/184837234.db2.gz ATILJJAMBPAKFC-UHFFFAOYSA-N 1 0 288.391 2.349 10 0 CEAERO C[C@@H](O)[C@](C[NH3+])(Cc1cccc(O)c1)c1ccccc1 ZINC000094691240 184840314 /nfs/dbraw/zinc/84/03/14/184840314.db2.gz OBHWOVLUICXSQG-CXAGYDPISA-N 1 0 271.360 2.212 10 0 CEAERO COc1ncccc1CO[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000095008959 184914696 /nfs/dbraw/zinc/91/46/96/184914696.db2.gz ZFDAUSLMXYCJCH-DGCLKSJQSA-N 1 0 250.342 2.124 10 0 CEAERO Cc1ccn2c(c1)nnc2-c1ccc(CC[NH3+])cc1 ZINC000095022445 184917831 /nfs/dbraw/zinc/91/78/31/184917831.db2.gz RQIBGPMHCJJACC-UHFFFAOYSA-N 1 0 252.321 2.206 10 0 CEAERO CCCN(C(=O)C[C@@H]1CCCCO1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000095032395 184918950 /nfs/dbraw/zinc/91/89/50/184918950.db2.gz YEVWHJQQSBWFRC-QXULXFAOSA-N 1 0 294.439 2.467 10 0 CEAERO c1cnc2[nH]c(OCCC[C@@H]3CCCC[NH2+]3)nc2c1 ZINC000095092557 184941669 /nfs/dbraw/zinc/94/16/69/184941669.db2.gz UEMNCRLLCPONGX-NSHDSACASA-N 1 0 260.341 2.259 10 0 CEAERO COC(=O)[C@@](N)(C[N@H+](C)C1CCC(C)(C)CC1)C1CC1 ZINC000094861105 184882714 /nfs/dbraw/zinc/88/27/14/184882714.db2.gz CMACOHZORMTBQV-MRXNPFEDSA-N 1 0 282.428 2.168 10 0 CEAERO CCN(Cc1cccc(C)n1)C(=O)CC[NH2+]C(C)C ZINC000094914604 184892312 /nfs/dbraw/zinc/89/23/12/184892312.db2.gz KLSBPTTZGMDFHI-UHFFFAOYSA-N 1 0 263.385 2.127 10 0 CEAERO Cc1ccc(C(=O)NCC[N@@H+](C)C2CCCC2)c(N)c1 ZINC000094929314 184896515 /nfs/dbraw/zinc/89/65/15/184896515.db2.gz RJRVGZCBJKEPIN-UHFFFAOYSA-N 1 0 275.396 2.181 10 0 CEAERO C[C@H](CC[NH2+][C@@H]1CCC(=O)N[C@H]1C)c1ccccc1 ZINC000281818659 195394788 /nfs/dbraw/zinc/39/47/88/195394788.db2.gz QWGCUWFDGAMSBJ-VNHYZAJKSA-N 1 0 260.381 2.437 10 0 CEAERO S=C1Nc2ccccc2CN1C[C@@H]1CCCC[NH2+]1 ZINC000095078933 285409747 /nfs/dbraw/zinc/40/97/47/285409747.db2.gz NXKFCOQJVDWYOK-LBPRGKRZSA-N 1 0 261.394 2.341 10 0 CEAERO C[C@@H](NCc1ccccc1OC(F)F)[C@@H]1CC[NH2+]C1 ZINC000400484965 533460329 /nfs/dbraw/zinc/46/03/29/533460329.db2.gz XCVLLRCCJAJPMG-GHMZBOCLSA-N 1 0 270.323 2.376 10 0 CEAERO C[C@@H](NC(=O)[C@H](C)C1C[NH2+]C1)c1ccc(Cl)cc1 ZINC000164418344 130317748 /nfs/dbraw/zinc/31/77/48/130317748.db2.gz BYQZWOUREXKWAW-NXEZZACHSA-N 1 0 266.772 2.373 10 0 CEAERO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NC1(C[NH3+])CCCC1 ZINC000237632564 131049169 /nfs/dbraw/zinc/04/91/69/131049169.db2.gz NAGWNVGSDUACIZ-GJZGRUSLSA-N 1 0 272.392 2.486 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000246954674 131098974 /nfs/dbraw/zinc/09/89/74/131098974.db2.gz XHAIRCJQPKLOCY-RWMBFGLXSA-N 1 0 296.436 2.290 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000246954666 131098998 /nfs/dbraw/zinc/09/89/98/131098998.db2.gz XHAIRCJQPKLOCY-FRRDWIJNSA-N 1 0 296.436 2.290 10 0 CEAERO C[C@H]1C[C@@H](C(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)CC[NH2+]1 ZINC000262471856 131223985 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287.451 2.423 10 0 CEAERO CC(C)[NH2+]C[C@H](C)[C@@H](C)N1CCN(c2ccccn2)CC1 ZINC000093068424 135078827 /nfs/dbraw/zinc/07/88/27/135078827.db2.gz ZFXIXSUCXDFNII-JKSUJKDBSA-N 1 0 290.455 2.226 10 0 CEAERO C[C@@H](C[NH3+])[C@H](C)N1CCN(c2ccccc2Cl)CC1 ZINC000093068718 135079081 /nfs/dbraw/zinc/07/90/81/135079081.db2.gz UKHXLAYPUYQFCU-STQMWFEESA-N 1 0 281.831 2.445 10 0 CEAERO C[NH2+]C[C@H](C)[C@H](C)N1CCN(c2ccccc2)CC1 ZINC000093068325 135079246 /nfs/dbraw/zinc/07/92/46/135079246.db2.gz LCVDUGBUOAOYIC-GJZGRUSLSA-N 1 0 261.413 2.053 10 0 CEAERO COC(=O)C(C)(C)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000093718167 135082066 /nfs/dbraw/zinc/08/20/66/135082066.db2.gz XRMJYNVJMHGDPN-UHFFFAOYSA-N 1 0 294.370 2.147 10 0 CEAERO [NH3+]CCC1CCN(c2ncc(Cl)cc2F)CC1 ZINC000094052576 135083169 /nfs/dbraw/zinc/08/31/69/135083169.db2.gz WOFZVGRRSZXYJQ-UHFFFAOYSA-N 1 0 257.740 2.439 10 0 CEAERO COc1cc(N2CC[N@@H+]3CCCC[C@@H]3C2)c(N)cc1F ZINC000094439084 135087613 /nfs/dbraw/zinc/08/76/13/135087613.db2.gz 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ZINC000092129196 394659433 /nfs/dbraw/zinc/65/94/33/394659433.db2.gz HCBIVDPUUYPSLN-UHFFFAOYSA-N 1 0 271.364 2.041 10 0 CEAERO CC1(C)CN(c2ccnc(C(F)(F)F)c2)CC[NH2+]1 ZINC000261554017 394601913 /nfs/dbraw/zinc/60/19/13/394601913.db2.gz AOLSRCWYWNCHFL-UHFFFAOYSA-N 1 0 259.275 2.289 10 0 CEAERO C([NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1)C1CCCCC1 ZINC000261853737 394608302 /nfs/dbraw/zinc/60/83/02/394608302.db2.gz BKWWGTLIJHZSTQ-OAGGEKHMSA-N 1 0 266.429 2.313 10 0 CEAERO C[C@H]([NH3+])CC(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000261817921 394608336 /nfs/dbraw/zinc/60/83/36/394608336.db2.gz HPEMGODKILDLPJ-ZANVPECISA-N 1 0 250.317 2.057 10 0 CEAERO Cc1cc(N2CC[NH+](C3CCCC3)CC2)nnc1C ZINC000110101589 394735213 /nfs/dbraw/zinc/73/52/13/394735213.db2.gz KQTSZYVCIIGXAB-UHFFFAOYSA-N 1 0 260.385 2.158 10 0 CEAERO c1ccc2c(c1)OCC[C@@H]2NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422767385 394770019 /nfs/dbraw/zinc/77/00/19/394770019.db2.gz QYUSMSYFKOODRX-YOOVYSLHSA-N 1 0 258.365 2.383 10 0 CEAERO CCn1nccc1C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000129357046 394864064 /nfs/dbraw/zinc/86/40/64/394864064.db2.gz REDKWUMSQXWCCY-HIFRSBDPSA-N 1 0 263.385 2.030 10 0 CEAERO O=C(NC1CCCCC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000132264614 394927176 /nfs/dbraw/zinc/92/71/76/394927176.db2.gz RKOWOSQEQSAABG-CQSZACIVSA-N 1 0 265.401 2.199 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNCc1c(Cl)cnn1C ZINC000132458535 394930391 /nfs/dbraw/zinc/93/03/91/394930391.db2.gz GBWDSMVWGGKRIB-GFCCVEGCSA-N 1 0 284.835 2.284 10 0 CEAERO C[C@@H]1CCC[C@@H](C[N@@H+]2CCO[C@H](Cn3cccn3)C2)C1 ZINC000133396465 394951405 /nfs/dbraw/zinc/95/14/05/394951405.db2.gz MGEULEDXIREOHZ-OAGGEKHMSA-N 1 0 277.412 2.410 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCC1=CCCC1 ZINC000152179067 394989693 /nfs/dbraw/zinc/98/96/93/394989693.db2.gz ZXZMAZXMZMNNLJ-UKRRQHHQSA-N 1 0 277.412 2.365 10 0 CEAERO Cc1cccc(OCCCC(=O)N2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC000423645142 394961671 /nfs/dbraw/zinc/96/16/71/394961671.db2.gz OAALHLWPNDTRLV-UKRRQHHQSA-N 1 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IXLRGTDIIKJJJE-PMPSAXMXSA-N 1 0 266.429 2.360 10 0 CEAERO O[C@@H]1CC[C@H]2C[N@H+](CCOc3ccccc3)C[C@H]2C1 ZINC000398818654 395237843 /nfs/dbraw/zinc/23/78/43/395237843.db2.gz XXBFFZAGCYWROD-RRFJBIMHSA-N 1 0 261.365 2.158 10 0 CEAERO C[C@H]([NH2+][C@H]1Cc2ccccc2[C@@H]1O)c1cccnc1 ZINC000181420493 395214454 /nfs/dbraw/zinc/21/44/54/395214454.db2.gz ITAUSKGGBSVNRG-UVBJJODRSA-N 1 0 254.333 2.391 10 0 CEAERO CC[C@](C)(O)C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000189222268 395325092 /nfs/dbraw/zinc/32/50/92/395325092.db2.gz MOBOKXHTSSAIQS-JKSUJKDBSA-N 1 0 261.365 2.279 10 0 CEAERO CC[C@@H]1CCCC[C@H]1C[NH2+]C[C@H]1CN(C)CCO1 ZINC000401520510 395257137 /nfs/dbraw/zinc/25/71/37/395257137.db2.gz BRJOYRRWNWYIPX-ILXRZTDVSA-N 1 0 254.418 2.123 10 0 CEAERO CC(C)=CCNC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000189657507 395331013 /nfs/dbraw/zinc/33/10/13/395331013.db2.gz BFEAGHVYOMDIOE-CQSZACIVSA-N 1 0 267.417 2.372 10 0 CEAERO CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccs1 ZINC000192941376 395396458 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C[C@@H]1CC[C@@H](CC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000177741848 165206635 /nfs/dbraw/zinc/20/66/35/165206635.db2.gz FAXYIFKJDOJXJN-MGPQQGTHSA-N 1 0 250.386 2.119 10 0 CEAERO c1cc(CN2CC[N@@H+]3CCCC[C@@H]3C2)c2c(c1)OCCO2 ZINC000177769824 165207049 /nfs/dbraw/zinc/20/70/49/165207049.db2.gz KDQNDESFYWHXDR-OAHLLOKOSA-N 1 0 288.391 2.128 10 0 CEAERO C[C@H](CC(=O)N1CC[C@H](C[NH3+])C1)Cc1cccc(F)c1 ZINC000178582365 165249497 /nfs/dbraw/zinc/24/94/97/165249497.db2.gz CQTCCTSIMZCQNI-GXTWGEPZSA-N 1 0 278.371 2.202 10 0 CEAERO C[C@@H]([NH3+])CCNC(=O)CSCc1cccc(Cl)c1 ZINC000178624822 165251557 /nfs/dbraw/zinc/25/15/57/165251557.db2.gz PRBNNXQBBHBKSJ-SNVBAGLBSA-N 1 0 286.828 2.427 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)CCCN2 ZINC000179039237 165267345 /nfs/dbraw/zinc/26/73/45/165267345.db2.gz RAJXPLRAWHZQAK-IINYFYTJSA-N 1 0 261.369 2.357 10 0 CEAERO CCC[C@@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C(C)C ZINC000179410375 165277621 /nfs/dbraw/zinc/27/76/21/165277621.db2.gz FTUACKAKEYWLTR-ZIAGYGMSSA-N 1 0 252.402 2.365 10 0 CEAERO CC[C@H](CSC)N(C)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000179596747 165284147 /nfs/dbraw/zinc/28/41/47/165284147.db2.gz VUYNHBVXQHRSHV-CHWSQXEVSA-N 1 0 287.473 2.254 10 0 CEAERO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C[C@@H]1CN(C)CCO1 ZINC000180497344 165313507 /nfs/dbraw/zinc/31/35/07/165313507.db2.gz ISESSCSCGYRIBJ-TUVASFSCSA-N 1 0 254.418 2.121 10 0 CEAERO COc1ccccc1CCN(C)CC[NH2+]C(C)C ZINC000181269267 165337354 /nfs/dbraw/zinc/33/73/54/165337354.db2.gz JNOQYQGBDVUXQA-UHFFFAOYSA-N 1 0 250.386 2.168 10 0 CEAERO CCC[C@@H](C(=O)Nc1ccc(O)cc1F)[NH+](C)C ZINC000183258724 165387659 /nfs/dbraw/zinc/38/76/59/165387659.db2.gz BDKFLEUYRFOTNB-LBPRGKRZSA-N 1 0 254.305 2.200 10 0 CEAERO Cc1ccc(C)c(NC(=O)CN2CC[C@H](C)C[C@H]2C[NH3+])c1 ZINC000261596554 165501612 /nfs/dbraw/zinc/50/16/12/165501612.db2.gz KNMSBUQWGQAUOK-ZFWWWQNUSA-N 1 0 289.423 2.301 10 0 CEAERO CCC(=O)O[C@@]1(c2cccc(OC)c2)CC[N@H+](C)C1 ZINC000005768417 170138866 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170976054 /nfs/dbraw/zinc/97/60/54/170976054.db2.gz GCMGSFPUKROCFB-UHFFFAOYSA-N 1 0 272.323 2.257 10 0 CEAERO Cc1ncsc1CCOc1ccccc1C(N)=[NH2+] ZINC000020076687 170984647 /nfs/dbraw/zinc/98/46/47/170984647.db2.gz OXOSYBTWXJOXNS-UHFFFAOYSA-N 1 0 261.350 2.357 10 0 CEAERO CC(=O)NCC[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000020185097 171048036 /nfs/dbraw/zinc/04/80/36/171048036.db2.gz GOUVZAYPMPCYNH-VIFPVBQESA-N 1 0 272.295 2.075 10 0 CEAERO [NH3+]Cc1cc(S(=O)(=O)Nc2ccccc2F)ccc1F ZINC000020189259 171055034 /nfs/dbraw/zinc/05/50/34/171055034.db2.gz FGRABGRKGQNLTL-UHFFFAOYSA-N 1 0 298.314 2.224 10 0 CEAERO CCOc1ccc(C[C@@H](C[NH3+])c2nnc(C)o2)cc1 ZINC000020222294 171085099 /nfs/dbraw/zinc/08/50/99/171085099.db2.gz MVIQMQWVIGPJCU-LBPRGKRZSA-N 1 0 261.325 2.062 10 0 CEAERO CC(C)C(=O)N(C)c1cccc(OCCC[NH3+])c1 ZINC000020225196 171087641 /nfs/dbraw/zinc/08/76/41/171087641.db2.gz SPOBVTBQQYBZFL-UHFFFAOYSA-N 1 0 250.342 2.033 10 0 CEAERO C[C@](C[NH3+])(CCc1ccccc1)N1CCSCC1 ZINC000020257126 171111434 /nfs/dbraw/zinc/11/14/34/171111434.db2.gz IZWKIEZVZDHURV-OAHLLOKOSA-N 1 0 264.438 2.385 10 0 CEAERO CC(C)NC(=O)[C@@H](C)NCCC[N@H+](C)Cc1ccccc1 ZINC000020360780 171159393 /nfs/dbraw/zinc/15/93/93/171159393.db2.gz GPGZFDYLYODTJB-OAHLLOKOSA-N 1 0 291.439 2.011 10 0 CEAERO CCN(CC)C(=O)[C@@H](C)Oc1ccc([C@@H](C)[NH3+])cc1OC ZINC000020419822 171184972 /nfs/dbraw/zinc/18/49/72/171184972.db2.gz CAUSXIUGDGWPNP-VXGBXAGGSA-N 1 0 294.395 2.351 10 0 CEAERO CC[C@@H]([NH3+])c1ccccc1O[C@H](C)C(=O)NC1CC1 ZINC000020419920 171185158 /nfs/dbraw/zinc/18/51/58/171185158.db2.gz XEZSRSZESBNOSD-ZWNOBZJWSA-N 1 0 262.353 2.142 10 0 CEAERO CC(C)CNC(=O)[C@H](C)Oc1cccc([C@@H](C)[NH3+])c1 ZINC000020419807 171185356 /nfs/dbraw/zinc/18/53/56/171185356.db2.gz KUGBGUCEVBTIPT-NEPJUHHUSA-N 1 0 264.369 2.246 10 0 CEAERO CCN(Cc1ccccc1)c1ncccc1C(N)=[NH2+] ZINC000020486483 171226004 /nfs/dbraw/zinc/22/60/04/171226004.db2.gz CXBAJBDRRPTNCR-UHFFFAOYSA-N 1 0 254.337 2.392 10 0 CEAERO CCOC(=O)C[C@@H]([NH3+])c1ccccc1OC(F)F ZINC000020577824 171256334 /nfs/dbraw/zinc/25/63/34/171256334.db2.gz ADMSYJJIJTUNTQ-SECBINFHSA-N 1 0 259.252 2.241 10 0 CEAERO CCOC(=O)[C@@H](C[NH3+])Cc1cccc(C(F)(F)F)c1 ZINC000020580346 171257253 /nfs/dbraw/zinc/25/72/53/171257253.db2.gz AWSILGQRPYWEDH-SNVBAGLBSA-N 1 0 275.270 2.386 10 0 CEAERO CC1CC[NH+](CC(=O)Nc2ccc(F)c(N)c2)CC1 ZINC000022151911 171359136 /nfs/dbraw/zinc/35/91/36/171359136.db2.gz GDFXHMWHJDZWHO-UHFFFAOYSA-N 1 0 265.332 2.078 10 0 CEAERO COc1ccc(NC(=O)[C@H](C)[NH+]2CCCCCC2)c(N)c1 ZINC000022153264 171360416 /nfs/dbraw/zinc/36/04/16/171360416.db2.gz VFFXXOWYESIPGS-LBPRGKRZSA-N 1 0 291.395 2.480 10 0 CEAERO C[NH+](C)CCCC(=O)Nc1ccc(Cl)c(N)c1 ZINC000022212175 171373774 /nfs/dbraw/zinc/37/37/74/171373774.db2.gz HHJJHYOBHPOIAU-UHFFFAOYSA-N 1 0 255.749 2.203 10 0 CEAERO COc1ccc([C@@H]([NH3+])[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000022564516 171392077 /nfs/dbraw/zinc/39/20/77/171392077.db2.gz HWILGWVBEFOAFD-ZWUHOBOKSA-N 1 0 278.396 2.193 10 0 CEAERO C[NH2+]CCOC[C@H](O)c1cc2ccccc2s1 ZINC000033898926 171825221 /nfs/dbraw/zinc/82/52/21/171825221.db2.gz BKOFNNQGGVKXDO-NSHDSACASA-N 1 0 251.351 2.171 10 0 CEAERO CCCN(CCC)c1c(C[NH2+]CC)c(C)nn1C ZINC000034823503 171877273 /nfs/dbraw/zinc/87/72/73/171877273.db2.gz XWQCJKCIMPHFEL-UHFFFAOYSA-N 1 0 252.406 2.464 10 0 CEAERO COc1cccc([C@H](C[NH2+]C[C@@H]2CCCCO2)N(C)C)c1 ZINC000035151280 172014290 /nfs/dbraw/zinc/01/42/90/172014290.db2.gz FGBWTRSKHMRTDN-IRXDYDNUSA-N 1 0 292.423 2.457 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000035231162 172071804 /nfs/dbraw/zinc/07/18/04/172071804.db2.gz YFSJALANHHWGCR-CABZTGNLSA-N 1 0 297.196 2.378 10 0 CEAERO CCC[NH2+]Cc1c(N(C)CC)nc2sccn12 ZINC000035430058 172198218 /nfs/dbraw/zinc/19/82/18/172198218.db2.gz DWPNEQPYLYIGJP-UHFFFAOYSA-N 1 0 252.387 2.352 10 0 CEAERO CC[C@H](C)N(C)c1nc2sccn2c1C[NH2+]C ZINC000035430204 172198975 /nfs/dbraw/zinc/19/89/75/172198975.db2.gz DZJKDJHXNNXKQC-VIFPVBQESA-N 1 0 252.387 2.350 10 0 CEAERO CC(C)(C)OC(=O)N1C[C@H]([NH3+])[C@H](c2ccccc2F)C1 ZINC000035571757 172267223 /nfs/dbraw/zinc/26/72/23/172267223.db2.gz WKQFPVZPKMAOHI-AAEUAGOBSA-N 1 0 280.343 2.487 10 0 CEAERO CCNC(=O)COc1ccc(C)cc1[C@@H](C)[NH2+]CC ZINC000035629785 172310671 /nfs/dbraw/zinc/31/06/71/172310671.db2.gz RIJLIVKLIOQGOC-GFCCVEGCSA-N 1 0 264.369 2.180 10 0 CEAERO C[NH2+]Cc1nccn1Cc1c(F)cccc1Cl ZINC000035636857 172320920 /nfs/dbraw/zinc/32/09/20/172320920.db2.gz GUPPWLRSMSLDLC-UHFFFAOYSA-N 1 0 253.708 2.443 10 0 CEAERO CC[NH2+][C@H](C)c1ccccc1NS(=O)(=O)CC ZINC000035645103 172322401 /nfs/dbraw/zinc/32/24/01/172322401.db2.gz OEKCFDGKJJFBKH-SNVBAGLBSA-N 1 0 256.371 2.119 10 0 CEAERO C[NH2+]Cc1cc(Cl)cc(Cl)c1OCC(=O)N(C)C ZINC000035661967 172340177 /nfs/dbraw/zinc/34/01/77/172340177.db2.gz YRQFUPCZIDTGRR-UHFFFAOYSA-N 1 0 291.178 2.180 10 0 CEAERO C[C@@H](NC(=O)Cc1ccc(F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000035690807 172359286 /nfs/dbraw/zinc/35/92/86/172359286.db2.gz SNGWRJYYBJPEJZ-RISCZKNCSA-N 1 0 264.344 2.015 10 0 CEAERO C[C@@H](NC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)c1ccco1 ZINC000035738279 172392142 /nfs/dbraw/zinc/39/21/42/172392142.db2.gz WZXTYRHSENRSEH-MROQNXINSA-N 1 0 262.353 2.378 10 0 CEAERO C[NH2+][C@H]1c2cc(Cl)ccc2S(=O)(=O)C[C@H]1C ZINC000035760915 172399086 /nfs/dbraw/zinc/39/90/86/172399086.db2.gz VJZSNXQNUZJVEL-RDDDGLTNSA-N 1 0 259.758 2.024 10 0 CEAERO CC(C)[NH2+][C@H]1CCCS(=O)(=O)c2ccc(F)cc21 ZINC000035761526 172399428 /nfs/dbraw/zinc/39/94/28/172399428.db2.gz CFQUGIXWWPUMPE-LBPRGKRZSA-N 1 0 271.357 2.432 10 0 CEAERO CC[C@@H](C)[C@@H](C(=O)NC1CC([NH3+])C1)c1ccccc1 ZINC000036237286 172534830 /nfs/dbraw/zinc/53/48/30/172534830.db2.gz PHSIORISLCRNJV-GALLPEHLSA-N 1 0 260.381 2.422 10 0 CEAERO Cc1cnn(C)c1CN[C@@H](C[NH+](C)C)c1ccccc1 ZINC000285565903 196328691 /nfs/dbraw/zinc/32/86/91/196328691.db2.gz VSZWKBCHEVXHLR-HNNXBMFYSA-N 1 0 272.396 2.121 10 0 CEAERO CN([C@@H](C[NH3+])c1ccc(F)cc1F)[C@@H]1CCSC1 ZINC000037174512 173008683 /nfs/dbraw/zinc/00/86/83/173008683.db2.gz LCQFTMWGPJSRMF-MFKMUULPSA-N 1 0 272.364 2.402 10 0 CEAERO Cc1ccc(CN(C)[C@H](CC[NH3+])C(F)(F)F)o1 ZINC000037178597 173012238 /nfs/dbraw/zinc/01/22/38/173012238.db2.gz LTDXWSHMTGRCFJ-SNVBAGLBSA-N 1 0 250.264 2.300 10 0 CEAERO [NH3+]CC[C@H](Sc1nnnn1C1CCCC1)C(F)(F)F ZINC000037179806 173012918 /nfs/dbraw/zinc/01/29/18/173012918.db2.gz CMFOOZLVOUYXAY-QMMMGPOBSA-N 1 0 295.334 2.160 10 0 CEAERO O=S1(=O)CC[C@@H]([NH2+]C2CCCC2)c2ccccc21 ZINC000037186841 173017119 /nfs/dbraw/zinc/01/71/19/173017119.db2.gz RQDHCRVFFVOJCC-CYBMUJFWSA-N 1 0 265.378 2.437 10 0 CEAERO O=S1(=O)CC[C@H]([NH2+]C2CCCC2)c2ccccc21 ZINC000037186842 173017296 /nfs/dbraw/zinc/01/72/96/173017296.db2.gz RQDHCRVFFVOJCC-ZDUSSCGKSA-N 1 0 265.378 2.437 10 0 CEAERO C[C@@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccc(F)cc1 ZINC000037217398 173035893 /nfs/dbraw/zinc/03/58/93/173035893.db2.gz BRHKLWNTBKZWRD-SNVBAGLBSA-N 1 0 265.332 2.019 10 0 CEAERO C[C@@H]([NH2+]CC(=O)N(C)C)c1cccc(Br)c1 ZINC000037225435 173045719 /nfs/dbraw/zinc/04/57/19/173045719.db2.gz JVCJSLGSROCTGT-SECBINFHSA-N 1 0 285.185 2.188 10 0 CEAERO CC[NH2+][C@@H](CC)c1ccccc1OC[C@@H](C)C(N)=O ZINC000037226895 173047272 /nfs/dbraw/zinc/04/72/72/173047272.db2.gz GXKCLQHXSILEPT-YPMHNXCESA-N 1 0 264.369 2.247 10 0 CEAERO CC(C)C[C@H](C)[NH2+]Cc1cc(C(N)=O)ccc1F ZINC000037264869 173073575 /nfs/dbraw/zinc/07/35/75/173073575.db2.gz XBIXEQPKVBEHLV-JTQLQIEISA-N 1 0 252.333 2.449 10 0 CEAERO COC1CCN([C@H](C[NH3+])c2cccc(Cl)c2)CC1 ZINC000037265872 173074598 /nfs/dbraw/zinc/07/45/98/173074598.db2.gz RNQTWKBMACDQQT-CQSZACIVSA-N 1 0 268.788 2.451 10 0 CEAERO COC1CC[NH+]([C@H](C)[C@H](N)c2ccc(C)cc2)CC1 ZINC000037266144 173075750 /nfs/dbraw/zinc/07/57/50/173075750.db2.gz VKOXHFAGWFAVDF-CJNGLKHVSA-N 1 0 262.397 2.494 10 0 CEAERO CC[C@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1N ZINC000037273223 173085674 /nfs/dbraw/zinc/08/56/74/173085674.db2.gz WFTNWLRSQPMDHB-ZDUSSCGKSA-N 1 0 261.369 2.132 10 0 CEAERO Cc1cccc(N)c1NC(=O)C[N@@H+](C)C1CCCC1 ZINC000037273255 173085914 /nfs/dbraw/zinc/08/59/14/173085914.db2.gz QHKDRKVKVFBBHH-UHFFFAOYSA-N 1 0 261.369 2.390 10 0 CEAERO O=c1[nH]c(C[NH2+]C2CCCCC2)nc2ccccc21 ZINC000037300610 173106598 /nfs/dbraw/zinc/10/65/98/173106598.db2.gz IIHYIDFURWTTPJ-UHFFFAOYSA-N 1 0 257.337 2.345 10 0 CEAERO CN(C)CC[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000037301250 173107373 /nfs/dbraw/zinc/10/73/73/173107373.db2.gz FIPWFYUNAOBJPM-UHFFFAOYSA-N 1 0 284.787 2.153 10 0 CEAERO Cc1ncsc1[C@@H](C)[NH2+][C@H](C)Cn1ccnc1 ZINC000037320428 173120755 /nfs/dbraw/zinc/12/07/55/173120755.db2.gz OVVABXQZEJGNEZ-MWLCHTKSSA-N 1 0 250.371 2.387 10 0 CEAERO CC[NH2+][C@@H](C)c1ccccc1OCCS(=O)(=O)CC ZINC000037370282 173159032 /nfs/dbraw/zinc/15/90/32/173159032.db2.gz NHFQAVDRZOSHPK-LBPRGKRZSA-N 1 0 285.409 2.171 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000037386277 173169173 /nfs/dbraw/zinc/16/91/73/173169173.db2.gz QIVUUOXYEYYCNO-LLVKDONJSA-N 1 0 278.352 2.175 10 0 CEAERO COC(C[NH2+]Cc1cccc(C(F)(F)F)c1)OC ZINC000037388261 173171523 /nfs/dbraw/zinc/17/15/23/173171523.db2.gz NXQFPBOWJWQLCQ-UHFFFAOYSA-N 1 0 263.259 2.414 10 0 CEAERO O=C(CC[NH2+]C1CC1)Nc1ccccc1OC(F)F ZINC000037396213 173176608 /nfs/dbraw/zinc/17/66/08/173176608.db2.gz XSLILIMCDLNFKP-UHFFFAOYSA-N 1 0 270.279 2.369 10 0 CEAERO C[C@@H]([NH3+])Cc1nc2cc(Br)ccc2n1C ZINC000037441321 173210814 /nfs/dbraw/zinc/21/08/14/173210814.db2.gz QQHLEZUXFYVPDQ-SSDOTTSWSA-N 1 0 268.158 2.226 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](c2nc3cccc(Cl)c3n2C)C1 ZINC000037443642 173212244 /nfs/dbraw/zinc/21/22/44/173212244.db2.gz PWWMPMHNESJOOU-KWQFWETISA-N 1 0 265.744 2.276 10 0 CEAERO CC(C)[NH2+][C@](C)(C(N)=O)c1ccc(F)c(Cl)c1 ZINC000037446608 173213506 /nfs/dbraw/zinc/21/35/06/173213506.db2.gz BXFNJKLKIIBVHS-LBPRGKRZSA-N 1 0 258.724 2.178 10 0 CEAERO CCCOc1ccc([C@@](C)([NH2+]C(C)C)C(N)=O)cc1 ZINC000037446511 173213860 /nfs/dbraw/zinc/21/38/60/173213860.db2.gz JUFLCSMZZQIUFS-OAHLLOKOSA-N 1 0 264.369 2.174 10 0 CEAERO CSCC[C@H](C[NH3+])N1CCc2sccc2C1 ZINC000037472125 173227280 /nfs/dbraw/zinc/22/72/80/173227280.db2.gz HWAZXBUMRMBSAZ-LLVKDONJSA-N 1 0 256.440 2.187 10 0 CEAERO COCCN(CCOC)[C@H](C[NH3+])c1c(C)cc(C)cc1C ZINC000037489473 173231280 /nfs/dbraw/zinc/23/12/80/173231280.db2.gz VQXWUYGDRMDSOU-MRXNPFEDSA-N 1 0 294.439 2.206 10 0 CEAERO COc1cc2c(cc1OC)C[N@@H+]([C@H]1CCCC[C@@H]1O)CC2 ZINC000037490896 173232406 /nfs/dbraw/zinc/23/24/06/173232406.db2.gz LBMNZRIRONJZOH-GJZGRUSLSA-N 1 0 291.391 2.365 10 0 CEAERO C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)C[NH2+]C1CC1)C2 ZINC000037495208 173234931 /nfs/dbraw/zinc/23/49/31/173234931.db2.gz KVWALWIBDKRLIS-IUODEOHRSA-N 1 0 250.386 2.166 10 0 CEAERO Cc1cc(C)c(C(=O)N(C)[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000037540862 173262775 /nfs/dbraw/zinc/26/27/75/173262775.db2.gz HBOZACONLWEZCW-CQSZACIVSA-N 1 0 260.381 2.436 10 0 CEAERO Cc1ccccc1CC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000037717298 173635318 /nfs/dbraw/zinc/63/53/18/173635318.db2.gz DFXRPHIGZNTRFR-AWEZNQCLSA-N 1 0 260.381 2.043 10 0 CEAERO C[C@@H](c1ccc(F)cc1)N(C)C(=O)[C@H]1CCCC[NH2+]1 ZINC000037802931 173741767 /nfs/dbraw/zinc/74/17/67/173741767.db2.gz CLRIALPYLSONDQ-SMDDNHRTSA-N 1 0 264.344 2.487 10 0 CEAERO CC(C)(C)[NH2+]CCC(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000037819618 173771334 /nfs/dbraw/zinc/77/13/34/173771334.db2.gz SOEJJODDXABGOB-CYBMUJFWSA-N 1 0 263.385 2.456 10 0 CEAERO NC(=O)[C@@H](Cc1ccccc1)[NH2+]C1CCCCCC1 ZINC000037970500 173921062 /nfs/dbraw/zinc/92/10/62/173921062.db2.gz KSQUKWKLFZHSTD-OAHLLOKOSA-N 1 0 260.381 2.395 10 0 CEAERO CC(C)C[C@H](C)N(C)C(=O)[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000038043304 174049801 /nfs/dbraw/zinc/04/98/01/174049801.db2.gz KWJJDKUFPJTIGR-HOCLYGCPSA-N 1 0 295.471 2.096 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)CCc1c[nH]c2ccccc12 ZINC000038049136 174060080 /nfs/dbraw/zinc/06/00/80/174060080.db2.gz MPSDANAJYRLGGC-GOEBONIOSA-N 1 0 285.391 2.487 10 0 CEAERO Cc1cccc(C2CC([NH2+]C[C@@H]3COCCO3)C2)c1 ZINC000038060862 174071428 /nfs/dbraw/zinc/07/14/28/174071428.db2.gz JVEXOOBZQLOFCY-UYSNPLJNSA-N 1 0 261.365 2.246 10 0 CEAERO CC[C@@H](C)C[C@@H](CC)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000038083001 174092612 /nfs/dbraw/zinc/09/26/12/174092612.db2.gz SMFDFOSCDGHQLK-FRRDWIJNSA-N 1 0 261.431 2.226 10 0 CEAERO COc1cc([C@H](C)[NH2+]C[C@H](C)N(C)C)ccc1O ZINC000038088647 174101094 /nfs/dbraw/zinc/10/10/94/174101094.db2.gz ZRCHOJUSOVPNPW-QWRGUYRKSA-N 1 0 252.358 2.002 10 0 CEAERO O[C@@H](C[NH2+]CC[C@@H]1CCCO1)c1ccc(F)c(F)c1 ZINC000038096814 174111326 /nfs/dbraw/zinc/11/13/26/174111326.db2.gz AMVRSSLVOSWPJO-FZMZJTMJSA-N 1 0 271.307 2.157 10 0 CEAERO OC[C@@H]([NH2+]C[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000038114819 174125274 /nfs/dbraw/zinc/12/52/74/174125274.db2.gz VUYGGWMYBCQYAK-QWHCGFSZSA-N 1 0 255.745 2.142 10 0 CEAERO COc1cccc(-c2noc3c2C[N@@H+]([C@@H](C)CO)CC3)c1 ZINC000039500491 174169537 /nfs/dbraw/zinc/16/95/37/174169537.db2.gz XYSMZJJVBBONTF-NSHDSACASA-N 1 0 288.347 2.089 10 0 CEAERO C[C@@H](NC(=O)C[NH2+]C1CC1)c1ccc(Br)cc1 ZINC000040415379 174255533 /nfs/dbraw/zinc/25/55/33/174255533.db2.gz GNIICFZTXLSHDI-SECBINFHSA-N 1 0 297.196 2.378 10 0 CEAERO Cn1c2ccc(C(F)(F)F)cc2nc1CCC[NH3+] ZINC000040417110 174256187 /nfs/dbraw/zinc/25/61/87/174256187.db2.gz RHVUCZMUSNWRNC-UHFFFAOYSA-N 1 0 257.259 2.483 10 0 CEAERO CCN1CCC[C@H]([NH2+]Cc2c(C)nc3ccccn32)C1 ZINC000040502787 174299248 /nfs/dbraw/zinc/29/92/48/174299248.db2.gz UHEVUICIGSWYOY-AWEZNQCLSA-N 1 0 272.396 2.217 10 0 CEAERO Cc1cc(C)c(C(N)=S)c(NCc2cccnc2)[nH+]1 ZINC000040510182 174304036 /nfs/dbraw/zinc/30/40/36/174304036.db2.gz HCHMHBNAEMMZBU-UHFFFAOYSA-N 1 0 272.377 2.340 10 0 CEAERO C[NH2+]C[C@H]1CCCN(Cc2ccc3c(c2)OCCCO3)C1 ZINC000040593428 174347687 /nfs/dbraw/zinc/34/76/87/174347687.db2.gz JIGIEJYFNAUOBE-OAHLLOKOSA-N 1 0 290.407 2.279 10 0 CEAERO C[NH2+]C[C@H]1CCCN(Cc2ncc(C(C)(C)C)o2)C1 ZINC000040600332 174351049 /nfs/dbraw/zinc/35/10/49/174351049.db2.gz VHZGHNBYVRAMIW-GFCCVEGCSA-N 1 0 265.401 2.404 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000040629911 174357841 /nfs/dbraw/zinc/35/78/41/174357841.db2.gz REHNFGQFZDRAJX-GHMZBOCLSA-N 1 0 288.269 2.021 10 0 CEAERO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H](c2ccccc2)C(C)(C)C)C1 ZINC000040633081 174359297 /nfs/dbraw/zinc/35/92/97/174359297.db2.gz RBRWOIIRNDXIIB-ZNMIVQPWSA-N 1 0 290.407 2.267 10 0 CEAERO CCOc1ccc(NC(=O)[C@@H]2C[C@@H](OC)C[NH2+]2)cc1Cl ZINC000040634161 174360364 /nfs/dbraw/zinc/36/03/64/174360364.db2.gz BHTOZYJNKASDMG-PWSUYJOCSA-N 1 0 298.770 2.054 10 0 CEAERO CCCN(Cc1ccc(C)cc1)C(=O)[C@@H]1C[C@H](OC)C[NH2+]1 ZINC000040634712 174360750 /nfs/dbraw/zinc/36/07/50/174360750.db2.gz ZMKUBLHAHSKOAX-HOTGVXAUSA-N 1 0 290.407 2.111 10 0 CEAERO C[NH+]1CCN(Cc2cc3ccccc3cc2N)CC1 ZINC000040638310 174362858 /nfs/dbraw/zinc/36/28/58/174362858.db2.gz ZOIQTKQRGPZGIK-UHFFFAOYSA-N 1 0 255.365 2.169 10 0 CEAERO C[C@@H]([NH2+]CCc1nccn1C)c1ccc2c(c1)OCCO2 ZINC000040638742 174362901 /nfs/dbraw/zinc/36/29/01/174362901.db2.gz KINAMCBNSNQXEX-GFCCVEGCSA-N 1 0 287.363 2.085 10 0 CEAERO Cn1ccnc1CC[NH2+]Cc1ccc(Cl)s1 ZINC000040638913 174363323 /nfs/dbraw/zinc/36/33/23/174363323.db2.gz WPRHIHNUSZAIRX-UHFFFAOYSA-N 1 0 255.774 2.467 10 0 CEAERO Cn1ccnc1CC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000040639219 174363797 /nfs/dbraw/zinc/36/37/97/174363797.db2.gz XRNFQAKGVFUYJS-OAHLLOKOSA-N 1 0 255.365 2.110 10 0 CEAERO CCOC(=O)[C@@H](C[NH3+])Cc1cccc(OC(C)C)c1 ZINC000040641258 174364443 /nfs/dbraw/zinc/36/44/43/174364443.db2.gz IPSZGNRKIUVCGF-CYBMUJFWSA-N 1 0 265.353 2.154 10 0 CEAERO CCCCOc1ccc(C[NH2+]C(C)(C)C(N)=O)cc1 ZINC000040674341 174372842 /nfs/dbraw/zinc/37/28/42/174372842.db2.gz HBALPHQPTOZSKS-UHFFFAOYSA-N 1 0 264.369 2.219 10 0 CEAERO Cc1cc(=O)n(C[C@@H]([NH3+])c2cccc3ccccc32)cn1 ZINC000040728140 174387721 /nfs/dbraw/zinc/38/77/21/174387721.db2.gz PHUNBTQHLONCJL-MRXNPFEDSA-N 1 0 279.343 2.405 10 0 CEAERO CCn1cc(Cl)cc1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040740413 174390527 /nfs/dbraw/zinc/39/05/27/174390527.db2.gz HKOYPUUELNOTKW-FOSCPWQOSA-N 1 0 281.787 2.174 10 0 CEAERO CCN(c1nc(C)cc(C)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748765 174393857 /nfs/dbraw/zinc/39/38/57/174393857.db2.gz SIQAHLGEICIRTB-PBWFPOADSA-N 1 0 260.385 2.203 10 0 CEAERO Cc1cccc(C(=O)N2[C@@H]3CC[C@H]2CC([NH3+])C3)c1C ZINC000040749504 174394290 /nfs/dbraw/zinc/39/42/90/174394290.db2.gz PAHGNRFZBZZNMT-AGUYFDCRSA-N 1 0 258.365 2.398 10 0 CEAERO Cc1cccc(OCCC(=O)N2[C@@H]3CC[C@H]2CC([NH3+])C3)c1 ZINC000040749718 174394559 /nfs/dbraw/zinc/39/45/59/174394559.db2.gz KOPJVFUATITOPZ-GOOCMWNKSA-N 1 0 288.391 2.245 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1nc(-c2ccccc2)no1 ZINC000040749988 174395275 /nfs/dbraw/zinc/39/52/75/174395275.db2.gz HJERVWMDBHBEOL-AGUYFDCRSA-N 1 0 284.363 2.191 10 0 CEAERO CC(=O)c1ccccc1OCCN1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750300 174395331 /nfs/dbraw/zinc/39/53/31/174395331.db2.gz ABSIOJQTVAAXBK-GOOCMWNKSA-N 1 0 288.391 2.222 10 0 CEAERO CC1CC[NH+](CCNC(=O)c2cc(N)c(F)cc2F)CC1 ZINC000040770939 174399866 /nfs/dbraw/zinc/39/98/66/174399866.db2.gz VAQYPSPZVNOCNI-UHFFFAOYSA-N 1 0 297.349 2.009 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)Nc1cnc2c(cnn2C(C)C)c1 ZINC000040833475 174416319 /nfs/dbraw/zinc/41/63/19/174416319.db2.gz HGYCHVUHBKSBPP-NSHDSACASA-N 1 0 289.383 2.339 10 0 CEAERO CC[C@H]([NH3+])Cc1ccc(OC)cc1OCCCOC ZINC000040905546 174430912 /nfs/dbraw/zinc/43/09/12/174430912.db2.gz ZDJQDMUCWBUNIM-ZDUSSCGKSA-N 1 0 267.369 2.390 10 0 CEAERO C[C@H]1C[C@H](O)C[N@H+](Cc2ccnc3ccccc23)C1 ZINC000401700595 414754422 /nfs/dbraw/zinc/75/44/22/414754422.db2.gz NKXRGBXZKMVSDD-JSGCOSHPSA-N 1 0 256.349 2.438 10 0 CEAERO COC[C@@H]1CCCC[N@H+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000660292229 414757415 /nfs/dbraw/zinc/75/74/15/414757415.db2.gz GJLRXMBNWLLROI-ZNMIVQPWSA-N 1 0 255.402 2.286 10 0 CEAERO COc1cccc(N(CCC[NH3+])c2ccc(C)nn2)c1 ZINC000041074719 174472211 /nfs/dbraw/zinc/47/22/11/174472211.db2.gz VFZQNBYBUPKDDV-UHFFFAOYSA-N 1 0 272.352 2.281 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NC[C@@H]1CC2CCC1CC2 ZINC000400112628 414747367 /nfs/dbraw/zinc/74/73/67/414747367.db2.gz KYYWCEHZGUIUKM-QXRZNBQRSA-N 1 0 264.413 2.304 10 0 CEAERO Cc1ccc(C)c(CC(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)c1 ZINC000662976551 414816887 /nfs/dbraw/zinc/81/68/87/414816887.db2.gz GNRJMSQMBBLRPF-LBPRGKRZSA-N 1 0 288.313 2.194 10 0 CEAERO CN(C(=O)c1ccccc1Cl)[C@@H](C[NH3+])C(F)(F)F ZINC000662977561 414817345 /nfs/dbraw/zinc/81/73/45/414817345.db2.gz VWGCHCNMCDGUMD-VIFPVBQESA-N 1 0 280.677 2.302 10 0 CEAERO CSc1ccccc1C(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662977148 414817635 /nfs/dbraw/zinc/81/76/35/414817635.db2.gz STXPOOVSEKCMAX-SNVBAGLBSA-N 1 0 292.326 2.370 10 0 CEAERO CN(C(=O)[C@H]1CCCC2(CC2)C1)[C@@H](C[NH3+])C(F)(F)F ZINC000662986384 414819175 /nfs/dbraw/zinc/81/91/75/414819175.db2.gz DLCPEWMYYSDLAR-UWVGGRQHSA-N 1 0 278.318 2.305 10 0 CEAERO CC(C)(C)[C@@H]1C[N@H+](C[C@H]2CCC[C@H](O)C2)CCO1 ZINC000660441578 414822394 /nfs/dbraw/zinc/82/23/94/414822394.db2.gz GHIYRESFATWVLT-IHRRRGAJSA-N 1 0 255.402 2.284 10 0 CEAERO CC(C)C[C@H](CN(C)C)[NH2+]Cc1ccc(CO)cc1 ZINC000133055651 414827946 /nfs/dbraw/zinc/82/79/46/414827946.db2.gz SBSWYDLERXSEDZ-MRXNPFEDSA-N 1 0 264.413 2.245 10 0 CEAERO C[NH2+][C@@H](C)c1cccc(NC(=O)N2CCC(CO)CC2)c1 ZINC000041707653 174610803 /nfs/dbraw/zinc/61/08/03/174610803.db2.gz KNOHEGOIGSAFJR-LBPRGKRZSA-N 1 0 291.395 2.203 10 0 CEAERO C[NH2+][C@@H](C)c1cccc(NC(=O)Nc2cnn(C)c2)c1 ZINC000041715227 174614929 /nfs/dbraw/zinc/61/49/29/174614929.db2.gz ZXIYXZZVPHPNNW-JTQLQIEISA-N 1 0 273.340 2.345 10 0 CEAERO COCc1csc(C[NH2+][C@@H]2CCC[C@@H](O)C2)c1 ZINC000657324762 414859447 /nfs/dbraw/zinc/85/94/47/414859447.db2.gz CVWRSEVZSHFICO-VXGBXAGGSA-N 1 0 255.383 2.288 10 0 CEAERO COCC1(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)CCC1 ZINC000311708866 414860897 /nfs/dbraw/zinc/86/08/97/414860897.db2.gz VQGILAGFFZNWBN-GDBMZVCRSA-N 1 0 267.413 2.430 10 0 CEAERO CC(C)[C@H]([NH3+])CCNc1nc(C(F)(F)F)ns1 ZINC000663275093 414902041 /nfs/dbraw/zinc/90/20/41/414902041.db2.gz BZLIXMPGXDCFSN-ZCFIWIBFSA-N 1 0 268.308 2.342 10 0 CEAERO C[NH2+]C[C@@H](C)Nc1nccc(C)c1Br ZINC000663278387 414902829 /nfs/dbraw/zinc/90/28/29/414902829.db2.gz HNQWBPDWCXURHC-MRVPVSSYSA-N 1 0 258.163 2.172 10 0 CEAERO CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC(=O)N(C)C2)C1 ZINC000657694905 415050295 /nfs/dbraw/zinc/05/02/95/415050295.db2.gz HUEMZRWOWAOJFJ-MGPQQGTHSA-N 1 0 252.402 2.269 10 0 CEAERO CN1C[C@@H](C[NH2+]Cc2ccc(F)c(Cl)c2)CC1=O ZINC000657694205 415050476 /nfs/dbraw/zinc/05/04/76/415050476.db2.gz ATOGTLPTZCPBOQ-SNVBAGLBSA-N 1 0 270.735 2.047 10 0 CEAERO [NH3+]C1CCC(C(=O)N(CC(F)(F)F)C2CC2)CC1 ZINC000042778961 174875550 /nfs/dbraw/zinc/87/55/50/174875550.db2.gz ZFNLVKSEZZGRGX-UHFFFAOYSA-N 1 0 264.291 2.057 10 0 CEAERO Cc1noc(C)c1COc1cc2c(cc1CC[NH3+])OCO2 ZINC000042877234 174900809 /nfs/dbraw/zinc/90/08/09/174900809.db2.gz NBLCKBRMYIAOKA-UHFFFAOYSA-N 1 0 290.319 2.100 10 0 CEAERO C[C@H]([NH3+])Cc1cc2c(cc1OCc1cccnc1)OCO2 ZINC000042878166 174901120 /nfs/dbraw/zinc/90/11/20/174901120.db2.gz FBDBCUSZDYWCEB-NSHDSACASA-N 1 0 286.331 2.279 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)N1CCOCC1 ZINC000042951739 174924432 /nfs/dbraw/zinc/92/44/32/174924432.db2.gz GFBXAEMNWITMIT-MFKMUULPSA-N 1 0 299.212 2.170 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cccc(F)c1)n1nc(C)nc1C ZINC000042973268 174936605 /nfs/dbraw/zinc/93/66/05/174936605.db2.gz LFPNPLAQTJTRLU-KGLIPLIRSA-N 1 0 262.332 2.361 10 0 CEAERO COc1ccccc1[C@H]([C@H](C)[NH3+])n1cc(Cl)cn1 ZINC000043098783 174966490 /nfs/dbraw/zinc/96/64/90/174966490.db2.gz GGTFDFYLIVENRA-ZANVPECISA-N 1 0 265.744 2.482 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1nc[nH]n1)c1ccccc1OC ZINC000043100786 174967499 /nfs/dbraw/zinc/96/74/99/174967499.db2.gz LNRKDOOLDBIOCK-JQWIXIFHSA-N 1 0 278.381 2.384 10 0 CEAERO C[C@@H]([NH3+])[C@H](Sc1nnnn1C1CC1)c1ccsc1 ZINC000043126007 174977654 /nfs/dbraw/zinc/97/76/54/174977654.db2.gz ABWGZVRZKZUEBW-XCBNKYQSSA-N 1 0 281.410 2.250 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1nc(N)cc(N)n1)c1ccsc1 ZINC000043126397 174978062 /nfs/dbraw/zinc/97/80/62/174978062.db2.gz PVFIMHNVKGZRTN-KCJUWKMLSA-N 1 0 295.437 2.273 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1cnn(C)c1)N(C)Cc1ccccc1F ZINC000043127445 174978582 /nfs/dbraw/zinc/97/85/82/174978582.db2.gz PEUSIWSGULKVEW-IAQYHMDHSA-N 1 0 276.359 2.080 10 0 CEAERO C[NH2+][C@@H](c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000043300568 175001323 /nfs/dbraw/zinc/00/13/23/175001323.db2.gz STVPDQXMMCBIIC-BXKDBHETSA-N 1 0 273.785 2.035 10 0 CEAERO COc1ccc(Cl)c(NC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000043318527 175005629 /nfs/dbraw/zinc/00/56/29/175005629.db2.gz CNBQXHCZKNIZPM-SNVBAGLBSA-N 1 0 254.717 2.039 10 0 CEAERO O=C(Nc1ccc(N[C@H]2CCC[NH2+]C2)cc1)C1CC1 ZINC000043324732 175006918 /nfs/dbraw/zinc/00/69/18/175006918.db2.gz MUJYSHRWSRTGHY-AWEZNQCLSA-N 1 0 259.353 2.199 10 0 CEAERO Clc1cc2c(cc1N[C@@H]1CCC[NH2+]C1)OCO2 ZINC000043326161 175007594 /nfs/dbraw/zinc/00/75/94/175007594.db2.gz SCXZPHHKNXWSGB-MRVPVSSYSA-N 1 0 254.717 2.233 10 0 CEAERO Cc1noc(-c2ccccc2N[C@@H]2CCC[NH2+]C2)n1 ZINC000043325871 175007726 /nfs/dbraw/zinc/00/77/26/175007726.db2.gz OOJBCBOTXIHYHG-LLVKDONJSA-N 1 0 258.325 2.209 10 0 CEAERO CCOc1ccc(N[C@H]2CCC[NH2+]C2)cc1OC ZINC000043326444 175007949 /nfs/dbraw/zinc/00/79/49/175007949.db2.gz ADOBXKPNOJVLHW-LBPRGKRZSA-N 1 0 250.342 2.258 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccco1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000043334345 175010735 /nfs/dbraw/zinc/01/07/35/175010735.db2.gz CMHYSWVWWGVJJD-GFQSEFKGSA-N 1 0 252.358 2.167 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccco1)N1CCCC[C@@H]1CCO ZINC000043334496 175010747 /nfs/dbraw/zinc/01/07/47/175010747.db2.gz GPIGYUFCTOYIMO-UMVBOHGHSA-N 1 0 266.385 2.295 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccco1)N(C)Cc1cc(C)on1 ZINC000043335282 175011108 /nfs/dbraw/zinc/01/11/08/175011108.db2.gz JRZVRSGBBJKGCB-JSGCOSHPSA-N 1 0 263.341 2.486 10 0 CEAERO CCOC(=O)CS[C@H](c1ccco1)[C@@H]([NH3+])CC ZINC000043338545 175012979 /nfs/dbraw/zinc/01/29/79/175012979.db2.gz JEDPTFVHYSIKPW-CABZTGNLSA-N 1 0 257.355 2.354 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccccn1)N(C)Cc1cccnc1 ZINC000043339254 175013110 /nfs/dbraw/zinc/01/31/10/175013110.db2.gz DJXYTMHCFFLJBP-GDBMZVCRSA-N 1 0 270.380 2.387 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](SCCC(=O)OC)c1ccco1 ZINC000043338528 175013306 /nfs/dbraw/zinc/01/33/06/175013306.db2.gz YJRUAIBLVATVPJ-BXKDBHETSA-N 1 0 257.355 2.354 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccccn1)N(C)CC(F)(F)F ZINC000043339588 175013630 /nfs/dbraw/zinc/01/36/30/175013630.db2.gz DQGFIPDKDVSJEP-ONGXEEELSA-N 1 0 261.291 2.354 10 0 CEAERO [NH3+]C[C@H](Oc1ccc(F)c(F)c1)c1ccccn1 ZINC000043343796 175016143 /nfs/dbraw/zinc/01/61/43/175016143.db2.gz HYHPJVIKZBLQJF-ZDUSSCGKSA-N 1 0 250.248 2.439 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1cccnc1)N(CCOC)CC(C)C ZINC000043347896 175017907 /nfs/dbraw/zinc/01/79/07/175017907.db2.gz HQSSGNXAXNNWBB-JKSUJKDBSA-N 1 0 279.428 2.464 10 0 CEAERO CCN(CC(F)(F)F)[C@@H](c1cccnc1)[C@@H](C)[NH3+] ZINC000043348580 175018739 /nfs/dbraw/zinc/01/87/39/175018739.db2.gz CIUHORLZZWSBPE-MWLCHTKSSA-N 1 0 261.291 2.354 10 0 CEAERO C[C@@H]([NH3+])[C@@H](Oc1ccc(CO)cc1)c1cccnc1 ZINC000043351430 175019654 /nfs/dbraw/zinc/01/96/54/175019654.db2.gz UCFOSZYIVDELHQ-IAQYHMDHSA-N 1 0 258.321 2.041 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Oc1ccc(C(N)=O)cc1)c1cccnc1 ZINC000043350669 175019884 /nfs/dbraw/zinc/01/98/84/175019884.db2.gz NODDCEJUHOKNTO-CABCVRRESA-N 1 0 285.347 2.038 10 0 CEAERO COc1ccc(CO[C@H](C[NH3+])c2cccnc2)cc1 ZINC000043350594 175019912 /nfs/dbraw/zinc/01/99/12/175019912.db2.gz KQGATQXRSSIVHQ-OAHLLOKOSA-N 1 0 258.321 2.307 10 0 CEAERO Cc1nnc(S[C@@H](c2cccnc2)[C@@H](C)[NH3+])s1 ZINC000043352671 175020289 /nfs/dbraw/zinc/02/02/89/175020289.db2.gz VGZBFNYICQAVCV-GMSGAONNSA-N 1 0 266.395 2.422 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccncc1)N(C)CCc1ccccn1 ZINC000043353161 175020386 /nfs/dbraw/zinc/02/03/86/175020386.db2.gz HWLJIHKWHHEPHG-SJORKVTESA-N 1 0 284.407 2.430 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1ccncc1)N(C)CCc1ccccn1 ZINC000043353155 175020409 /nfs/dbraw/zinc/02/04/09/175020409.db2.gz BTZKELTVFORBMN-CJNGLKHVSA-N 1 0 270.380 2.039 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](OC[C@@H]1CCCO1)c1ccncc1 ZINC000043355618 175023072 /nfs/dbraw/zinc/02/30/72/175023072.db2.gz RFFGBZQZGVQLGL-MJBXVCDLSA-N 1 0 250.342 2.056 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)N1CCC(OC)CC1 ZINC000043364102 175025039 /nfs/dbraw/zinc/02/50/39/175025039.db2.gz XABACJWXVAJWCG-ZFWWWQNUSA-N 1 0 266.385 2.477 10 0 CEAERO Cc1ccc([C@@H](Oc2ccc(C(N)=O)cc2)[C@@H](C)[NH3+])o1 ZINC000043366658 175027210 /nfs/dbraw/zinc/02/72/10/175027210.db2.gz XPOUIQCAKSXZFF-YGRLFVJLSA-N 1 0 274.320 2.154 10 0 CEAERO C[NH2+]CCCc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000043391749 175034356 /nfs/dbraw/zinc/03/43/56/175034356.db2.gz KNFCTUWWIAHAMX-UHFFFAOYSA-N 1 0 271.242 2.306 10 0 CEAERO Cc1cc(C)cc([C@@H](C[NH3+])N(C)Cc2cnn(C)c2)c1 ZINC000043394388 175034674 /nfs/dbraw/zinc/03/46/74/175034674.db2.gz XVYRIHKZRLSWAF-MRXNPFEDSA-N 1 0 272.396 2.169 10 0 CEAERO NC(=[NH2+])c1cc2c(nc1-n1ccc(C(F)(F)F)n1)CCC2 ZINC000043406871 175037192 /nfs/dbraw/zinc/03/71/92/175037192.db2.gz KGVYPXFVDWHTLE-UHFFFAOYSA-N 1 0 295.268 2.059 10 0 CEAERO NC(=[NH2+])c1cc2c(nc1OCc1cccs1)CCC2 ZINC000043407189 175037251 /nfs/dbraw/zinc/03/72/51/175037251.db2.gz QIXOCNGXDULDJX-UHFFFAOYSA-N 1 0 273.361 2.495 10 0 CEAERO CCCn1c2ccc(C)cc2nc1[C@@H]1C[NH2+]CCO1 ZINC000043705071 175099127 /nfs/dbraw/zinc/09/91/27/175099127.db2.gz CZIZUQSIZFMLBS-AWEZNQCLSA-N 1 0 259.353 2.416 10 0 CEAERO CC[NH2+][C@H]1CCCCC[C@@H]1N1C[C@@H](C)O[C@@H](C)C1 ZINC000043811482 175110723 /nfs/dbraw/zinc/11/07/23/175110723.db2.gz GCAVOAQLPVBVFK-XGUBFFRZSA-N 1 0 254.418 2.406 10 0 CEAERO CCOc1ccc([C@H](CN2CCOC[C@@H]2C)[NH2+]C)cc1 ZINC000043891112 175118096 /nfs/dbraw/zinc/11/80/96/175118096.db2.gz MXUPIUCROVFQIJ-BBRMVZONSA-N 1 0 278.396 2.067 10 0 CEAERO CCC[NH2+][C@@H](CN1CCOC[C@@H]1C)c1ccccc1 ZINC000043891703 175118654 /nfs/dbraw/zinc/11/86/54/175118654.db2.gz DRXCDLRUTKOCMO-HOCLYGCPSA-N 1 0 262.397 2.448 10 0 CEAERO CCC[NH2+][C@@H]1CCC2(C[C@H]1N(C)[C@@H](C)C1CC1)OCCO2 ZINC000043895188 175119587 /nfs/dbraw/zinc/11/95/87/175119587.db2.gz DROQSSPVKDRSHR-NUEKZKHPSA-N 1 0 296.455 2.381 10 0 CEAERO C[NH2+][C@H](CN1CCOC(C)(C)C1)c1cc(C)ccc1OC ZINC000043897713 175120646 /nfs/dbraw/zinc/12/06/46/175120646.db2.gz DASQZUKTHYMVML-OAHLLOKOSA-N 1 0 292.423 2.375 10 0 CEAERO C[NH2+][C@@H](c1ccccc1)[C@H](C)N(C)C1CCOCC1 ZINC000043898112 175121310 /nfs/dbraw/zinc/12/13/10/175121310.db2.gz JMIFSMFZZDYMTH-XJKSGUPXSA-N 1 0 262.397 2.446 10 0 CEAERO C[NH2+][C@H]1CCC2(C[C@H]1N(CC(C)C)CC(C)C)OCCO2 ZINC000043909583 175123416 /nfs/dbraw/zinc/12/34/16/175123416.db2.gz PZZFYMURBOBVBG-JKSUJKDBSA-N 1 0 298.471 2.484 10 0 CEAERO CC[NH2+][C@H](c1ccccc1)[C@@H](C)N(CCOC)CCOC ZINC000043912694 175124490 /nfs/dbraw/zinc/12/44/90/175124490.db2.gz MABAKVLGPFUXFP-WBVHZDCISA-N 1 0 294.439 2.321 10 0 CEAERO CC[NH2+][C@@H]1CCC2(C[C@H]1N(C)CCC(C)C)OCCO2 ZINC000043914918 175124601 /nfs/dbraw/zinc/12/46/01/175124601.db2.gz UTTXYVNSXDODAI-HUUCEWRRSA-N 1 0 284.444 2.238 10 0 CEAERO CCc1ccc([C@@H]([NH2+]C)[C@@H](C)N(C)CCOC)cc1 ZINC000043915619 175125202 /nfs/dbraw/zinc/12/52/02/175125202.db2.gz FYFUWXUQQLRHSK-CJNGLKHVSA-N 1 0 264.413 2.476 10 0 CEAERO CCOc1ccccc1[C@@H](CN1CCOCC1(C)C)[NH2+]C ZINC000043916775 175125727 /nfs/dbraw/zinc/12/57/27/175125727.db2.gz FRKOUZUQPRJAFO-OAHLLOKOSA-N 1 0 292.423 2.457 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2C[C@@H]1N1CCOCC1(C)C ZINC000043917041 175125733 /nfs/dbraw/zinc/12/57/33/175125733.db2.gz NUZUNUDBYPJLLF-HOTGVXAUSA-N 1 0 274.408 2.373 10 0 CEAERO CC[NH2+][C@H]1CCOC[C@H]1N(C)C1CCC(C)CC1 ZINC000043967030 175128033 /nfs/dbraw/zinc/12/80/33/175128033.db2.gz NYXKTMKOGSFVRR-PFSRBDOWSA-N 1 0 254.418 2.264 10 0 CEAERO CC[NH2+][C@@H]1CCCC[C@@H]1N(C)C[C@@H]1CCCCO1 ZINC000043966616 175128114 /nfs/dbraw/zinc/12/81/14/175128114.db2.gz MYUKNXOYDIBYJM-ZNMIVQPWSA-N 1 0 254.418 2.408 10 0 CEAERO CCN(CCOC)[C@@H]1CCc2cc(OC)ccc2[C@@H]1[NH2+]C ZINC000043968573 175129762 /nfs/dbraw/zinc/12/97/62/175129762.db2.gz KWSGPBCOUDHCCT-SJORKVTESA-N 1 0 292.423 2.239 10 0 CEAERO C[NH2+][C@H]1CCCCCC[C@@H]1N(CCOC)C1CC1 ZINC000043969651 175130611 /nfs/dbraw/zinc/13/06/11/175130611.db2.gz AWIMRAFNVOQYOI-GJZGRUSLSA-N 1 0 254.418 2.408 10 0 CEAERO CCOC(=O)CC[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000044363837 175167705 /nfs/dbraw/zinc/16/77/05/175167705.db2.gz IVQUTDQFQVWOKB-LLVKDONJSA-N 1 0 281.352 2.308 10 0 CEAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H](C)c1cnn(C)c1 ZINC000044498698 175184312 /nfs/dbraw/zinc/18/43/12/175184312.db2.gz UFHCERQTOUELRO-GXTWGEPZSA-N 1 0 252.406 2.047 10 0 CEAERO CCN(C)C(=O)COc1ccc2c(c1)CCC[C@H]2[NH2+]C ZINC000044745330 175241600 /nfs/dbraw/zinc/24/16/00/175241600.db2.gz HPSGHFCSNQRVMC-OAHLLOKOSA-N 1 0 276.380 2.141 10 0 CEAERO [NH3+]CC1(C(=O)NCCc2ccccn2)CCCCCC1 ZINC000044762254 175246402 /nfs/dbraw/zinc/24/64/02/175246402.db2.gz GUCLIXQJUNKYTC-UHFFFAOYSA-N 1 0 275.396 2.040 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)Nc1ccccc1OCC ZINC000044797796 175254848 /nfs/dbraw/zinc/25/48/48/175254848.db2.gz DTIPDKYJBXHXPB-LLVKDONJSA-N 1 0 250.342 2.399 10 0 CEAERO C[C@H](NC(=O)[C@H](C[NH3+])Cc1ccccc1)c1ccncc1 ZINC000044801136 175255604 /nfs/dbraw/zinc/25/56/04/175255604.db2.gz ZXXZBZSTUIDPML-BBRMVZONSA-N 1 0 283.375 2.076 10 0 CEAERO Cc1ccnc(NC(=O)[C@H](C[NH3+])Cc2ccccc2)c1 ZINC000044799405 175255661 /nfs/dbraw/zinc/25/56/61/175255661.db2.gz FDHPUHBDMICENW-AWEZNQCLSA-N 1 0 269.348 2.146 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)Nc1cccc(COC)c1 ZINC000044806241 175256458 /nfs/dbraw/zinc/25/64/58/175256458.db2.gz LQEPKKQZHCRXKN-LBPRGKRZSA-N 1 0 250.342 2.147 10 0 CEAERO C[C@H]([NH3+])c1ccc(NC(=O)NC[C@@H]2CCCOC2)cc1 ZINC000044981676 175283687 /nfs/dbraw/zinc/28/36/87/175283687.db2.gz RWLIWQFOOPJTME-RYUDHWBXSA-N 1 0 277.368 2.254 10 0 CEAERO CNC(=O)CC[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000044990479 175286010 /nfs/dbraw/zinc/28/60/10/175286010.db2.gz KCRDANGJXPCMKC-LBPRGKRZSA-N 1 0 297.196 2.162 10 0 CEAERO Cc1nccc(CNC2=[NH+][C@@H](CC(C)C)CS2)n1 ZINC000045005741 175288178 /nfs/dbraw/zinc/28/81/78/175288178.db2.gz XDILZEWDTRIFMH-LBPRGKRZSA-N 1 0 264.398 2.392 10 0 CEAERO C[C@@H](CNc1nccnc1Cl)[NH+]1CCCCC1 ZINC000045014503 175291062 /nfs/dbraw/zinc/29/10/62/175291062.db2.gz YNGNBHFBMYLFLJ-JTQLQIEISA-N 1 0 254.765 2.416 10 0 CEAERO C[NH2+][C@H]1CCOC[C@H]1n1ccnc1-c1cccs1 ZINC000045048125 175297042 /nfs/dbraw/zinc/29/70/42/175297042.db2.gz NDGFDELBEWKFLQ-WDEREUQCSA-N 1 0 263.366 2.161 10 0 CEAERO CC[NH2+]Cc1c(C)nn(C)c1N(C)CC(C)(C)C ZINC000045085457 175303489 /nfs/dbraw/zinc/30/34/89/175303489.db2.gz GEFBRESVLBXEAQ-UHFFFAOYSA-N 1 0 252.406 2.320 10 0 CEAERO CO[C@@H]1C[NH2+][C@@H](CN2CCC[C@@H]2C2CCCC2)C1 ZINC000045089770 175304695 /nfs/dbraw/zinc/30/46/95/175304695.db2.gz RLPABYQAXXWJLH-QLFBSQMISA-N 1 0 252.402 2.018 10 0 CEAERO CO[C@@H]1CCCC[C@@H]1[NH2+]CCCCn1ccnc1 ZINC000045106350 175308257 /nfs/dbraw/zinc/30/82/57/175308257.db2.gz VMSRVJJTIHFZTH-UONOGXRCSA-N 1 0 251.374 2.211 10 0 CEAERO CC1(C)C[C@@H]1[NH2+][C@H]1CC(=O)N(C2CCCCCC2)C1=O ZINC000045118813 175311798 /nfs/dbraw/zinc/31/17/98/175311798.db2.gz OBHYARIRFYRKAK-STQMWFEESA-N 1 0 278.396 2.225 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+][C@@H]2CN3CCC2CC3)c1C ZINC000045167586 175319168 /nfs/dbraw/zinc/31/91/68/175319168.db2.gz GPTJMFPNTZGMFR-XHDPSFHLSA-N 1 0 276.428 2.265 10 0 CEAERO CCC[C@](C)([NH3+])c1nc(-c2c(C)nn(C)c2C)c[nH]1 ZINC000045169527 175319772 /nfs/dbraw/zinc/31/97/72/175319772.db2.gz XVVLXWASOSWVHH-AWEZNQCLSA-N 1 0 261.373 2.401 10 0 CEAERO Cc1nn(C)c(C)c1[C@H](C)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000045168989 175319954 /nfs/dbraw/zinc/31/99/54/175319954.db2.gz QDPAZATYQOWYMM-NRUUGDAUSA-N 1 0 251.374 2.255 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]CCCOCCOC)c1C ZINC000045168781 175320106 /nfs/dbraw/zinc/32/01/06/175320106.db2.gz GWWLSTYBSKIJDU-LBPRGKRZSA-N 1 0 283.416 2.224 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]C[C@@H](C)N(C)C)c1C ZINC000045172004 175321740 /nfs/dbraw/zinc/32/17/40/175321740.db2.gz CYBFPEIHKDCHIC-GHMZBOCLSA-N 1 0 252.406 2.121 10 0 CEAERO CCC[NH2+][C@](C)(CC[NH+]1CCCCCCC1)C(=O)[O-] ZINC000045223726 175331162 /nfs/dbraw/zinc/33/11/62/175331162.db2.gz BVFFEZBZDGEVRZ-OAHLLOKOSA-N 1 0 270.417 2.486 10 0 CEAERO CCC[NH2+][C@@](C)(CC[N@H+]1C[C@H](C)C[C@H](C)C1)C(=O)[O-] ZINC000045224590 175332686 /nfs/dbraw/zinc/33/26/86/175332686.db2.gz ABXHYWOEXZJXAK-GUTXKFCHSA-N 1 0 270.417 2.197 10 0 CEAERO CCOC(=O)[C@](C)(C[NH+]1CCC(C)CC1)NC(C)C ZINC000045225451 175332773 /nfs/dbraw/zinc/33/27/73/175332773.db2.gz VYUNFOCNROQLMQ-HNNXBMFYSA-N 1 0 270.417 2.038 10 0 CEAERO CCC[NH2+][C@](C)(CC[N@H+]1C[C@H](C)C[C@H](C)C1)C(=O)[O-] ZINC000045224592 175333128 /nfs/dbraw/zinc/33/31/28/175333128.db2.gz ABXHYWOEXZJXAK-VNHYZAJKSA-N 1 0 270.417 2.197 10 0 CEAERO CCCN[C@@](C)(C[N@H+](C)C1CCCCC1)C(=O)OC ZINC000045231159 175335078 /nfs/dbraw/zinc/33/50/78/175335078.db2.gz DUEIYFRESRYTFO-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO C[C@@H]1CCC[C@H](C)[N@H+]1CC[C@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000045231875 175335385 /nfs/dbraw/zinc/33/53/85/175335385.db2.gz FMXMAHVJFKKXCK-ZOWXZIJZSA-N 1 0 268.401 2.235 10 0 CEAERO CCC[N@H+](C)CC[C@](C)(NC(C)C)C(=O)OCC ZINC000045264526 175338414 /nfs/dbraw/zinc/33/84/14/175338414.db2.gz DSTLLWABYRDOCK-AWEZNQCLSA-N 1 0 258.406 2.038 10 0 CEAERO CCC[NH2+][C@](C)(CC[N@@H+]1CCCC[C@@H]1CC)C(=O)[O-] ZINC000045265916 175339358 /nfs/dbraw/zinc/33/93/58/175339358.db2.gz NFNPUAOGPIFMOU-DZGCQCFKSA-N 1 0 270.417 2.484 10 0 CEAERO CCCN[C@](C)(C[N@H+](CC)CCC)C(=O)OCC ZINC000045267572 175340158 /nfs/dbraw/zinc/34/01/58/175340158.db2.gz SDAHMPHISZSMHC-CQSZACIVSA-N 1 0 258.406 2.040 10 0 CEAERO CCC[N@H+](C[C@](C)(NC(C)C)C(=O)OCC)C1CC1 ZINC000045267902 175340291 /nfs/dbraw/zinc/34/02/91/175340291.db2.gz CDLJGGOHCIYJDP-HNNXBMFYSA-N 1 0 270.417 2.181 10 0 CEAERO CCN[C@](C[N@H+](C)C(CC)CC)(C(N)=O)c1ccccc1 ZINC000045269591 175341167 /nfs/dbraw/zinc/34/11/67/175341167.db2.gz PEAAEMILYYYDNP-KRWDZBQOSA-N 1 0 291.439 2.097 10 0 CEAERO CCOC(=O)[C@](N)(C[N@H+](C)[C@@H](C)C1CC1)c1ccccc1 ZINC000045270186 175341701 /nfs/dbraw/zinc/34/17/01/175341701.db2.gz QZDHFYXMECMNEE-GUYCJALGSA-N 1 0 290.407 2.134 10 0 CEAERO CCN(CC[C@](C)([NH2+]C(C)C)C(N)=O)c1cccc(F)c1 ZINC000045275496 175345495 /nfs/dbraw/zinc/34/54/95/175345495.db2.gz BBKWMFDGYAQWLT-INIZCTEOSA-N 1 0 295.402 2.284 10 0 CEAERO CCC[N@H+](CC1CC1)C[C@@](C)(NCC)C(=O)OCC ZINC000045276819 175346424 /nfs/dbraw/zinc/34/64/24/175346424.db2.gz ONQMLUPUEBPRIR-OAHLLOKOSA-N 1 0 270.417 2.040 10 0 CEAERO CCCC[N@H+](C[C@](C)(NC(C)C)C(=O)OC)C1CC1 ZINC000045276266 175346544 /nfs/dbraw/zinc/34/65/44/175346544.db2.gz UJQHQKOBPMSIPW-HNNXBMFYSA-N 1 0 270.417 2.181 10 0 CEAERO CCCCC[N@H+](C[C@@](C)(NCCC)C(N)=O)C(C)C ZINC000045278578 175348294 /nfs/dbraw/zinc/34/82/94/175348294.db2.gz WCTXVZYUHCSKFR-OAHLLOKOSA-N 1 0 271.449 2.131 10 0 CEAERO CCOC(=O)[C@@](C)(C[N@H+](C)CC(C)(C)C)NC(C)C ZINC000045279347 175348964 /nfs/dbraw/zinc/34/89/64/175348964.db2.gz RMDFBNRTRHQUBN-OAHLLOKOSA-N 1 0 272.433 2.284 10 0 CEAERO CCOC(=O)[C@](C)(N)CC[N@H+](CC(C)C)C(C)C ZINC000045280747 175350984 /nfs/dbraw/zinc/35/09/84/175350984.db2.gz CHSWAYHBUVNLJR-CQSZACIVSA-N 1 0 258.406 2.023 10 0 CEAERO CCOC(=O)[C@@](C)(N)CC[N@H+](C)CC1CCCCC1 ZINC000045281632 175352654 /nfs/dbraw/zinc/35/26/54/175352654.db2.gz AOKJBQUVIFUIHD-HNNXBMFYSA-N 1 0 270.417 2.169 10 0 CEAERO CCCC[N@H+](CC[C@@](C)(NCC)C(N)=O)[C@@H](C)CC ZINC000045282658 175353690 /nfs/dbraw/zinc/35/36/90/175353690.db2.gz QBEOMQKXYWATOT-DZGCQCFKSA-N 1 0 271.449 2.131 10 0 CEAERO CCN(CCC[C@@](C)([NH2+]C)C(N)=O)c1ccccc1C ZINC000045369953 175363924 /nfs/dbraw/zinc/36/39/24/175363924.db2.gz LUMJVYLIJVOUFO-MRXNPFEDSA-N 1 0 277.412 2.065 10 0 CEAERO C[NH2+][C@@](C)(CCCC[NH+]1CCCCCCC1)C(=O)[O-] ZINC000045371342 175364519 /nfs/dbraw/zinc/36/45/19/175364519.db2.gz CYUQWNLRXMVSRU-HNNXBMFYSA-N 1 0 270.417 2.486 10 0 CEAERO COC(=O)[C@@](C)(N)CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000045373279 175364923 /nfs/dbraw/zinc/36/49/23/175364923.db2.gz LYWMURHBHKTUGG-NFAWXSAZSA-N 1 0 270.417 2.025 10 0 CEAERO CCCN[C@](C)(CCCC[NH+](CC)CC)C(=O)OC ZINC000045375853 175366402 /nfs/dbraw/zinc/36/64/02/175366402.db2.gz VVDSGSIHNFSLEU-OAHLLOKOSA-N 1 0 272.433 2.430 10 0 CEAERO CCOC(=O)[C@@](C)(CCCC[N@H+](C)C(C)C)NC ZINC000045377965 175367488 /nfs/dbraw/zinc/36/74/88/175367488.db2.gz RTVMBGZJTASKOV-CQSZACIVSA-N 1 0 258.406 2.038 10 0 CEAERO CC[N@H+](CCC[C@@](C)(NC1CC1)C(=O)OC)CC(C)C ZINC000045381890 175369727 /nfs/dbraw/zinc/36/97/27/175369727.db2.gz AGAPDYKQCIFLBE-MRXNPFEDSA-N 1 0 284.444 2.428 10 0 CEAERO COC(=O)[C@](C)(CCC[N@H+](C)CC(C)C)NC(C)C ZINC000045381032 175369824 /nfs/dbraw/zinc/36/98/24/175369824.db2.gz DAORWEPAYICZPH-HNNXBMFYSA-N 1 0 272.433 2.284 10 0 CEAERO COC(=O)[C@@](C)(CCCC[N@H+](C)C1CC1)NC(C)C ZINC000045383227 175370769 /nfs/dbraw/zinc/37/07/69/175370769.db2.gz ROUBAPKCLVLUBV-OAHLLOKOSA-N 1 0 270.417 2.181 10 0 CEAERO CCN[C@@](C)(CCC[N@H+](CC)C(C)C)C(=O)OCC ZINC000045383839 175371176 /nfs/dbraw/zinc/37/11/76/175371176.db2.gz RKBJOTDBUBGWBX-HNNXBMFYSA-N 1 0 272.433 2.428 10 0 CEAERO CCOC(=O)[C@@](C)(N)CCC[N@@H+]1CCCC[C@@H]1CC ZINC000045384251 175371448 /nfs/dbraw/zinc/37/14/48/175371448.db2.gz FZBSYAMQYBLXTD-ZFWWWQNUSA-N 1 0 270.417 2.312 10 0 CEAERO COC(=O)[C@@](C)(CCC[N@H+](C)[C@@H](C)C1CC1)NC(C)C ZINC000045393059 175375396 /nfs/dbraw/zinc/37/53/96/175375396.db2.gz ZIODZYQQAJIGKP-XJKSGUPXSA-N 1 0 284.444 2.427 10 0 CEAERO CN1C[C@@H](C[NH2+][C@H](c2ccc(F)cc2)C2CC2)CC1=O ZINC000658241681 415274854 /nfs/dbraw/zinc/27/48/54/415274854.db2.gz YSPZEFCCENXUSW-BZNIZROVSA-N 1 0 276.355 2.345 10 0 CEAERO Cc1ccc(N(C)[C@H](C[NH3+])c2cnn(C)c2)c(C)c1 ZINC000049978203 175506011 /nfs/dbraw/zinc/50/60/11/175506011.db2.gz NMQOGIDLSLQQIK-OAHLLOKOSA-N 1 0 258.369 2.173 10 0 CEAERO C[C@H](NC(=O)[C@H]1C[C@H](F)C[NH2+]1)C1CCC(F)(F)CC1 ZINC000655526725 415326904 /nfs/dbraw/zinc/32/69/04/415326904.db2.gz VFJLGODHOUYPMK-INTQDDNPSA-N 1 0 278.318 2.017 10 0 CEAERO COc1ccc([C@H](C)[NH2+]C2CC(CO)C2)cc1OC ZINC000658352089 415332736 /nfs/dbraw/zinc/33/27/36/415332736.db2.gz SJESVHQOQCHYMH-ZBOXLXRLSA-N 1 0 265.353 2.125 10 0 CEAERO O=C([C@@H]1C[C@H]2C[C@H]2C1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000658956376 415368626 /nfs/dbraw/zinc/36/86/26/415368626.db2.gz DWYBTTIGNIRDKD-JONQDZQNSA-N 1 0 276.424 2.271 10 0 CEAERO COC[C@]1(C(=O)Nc2ccccc2SC)CCC[NH2+]1 ZINC000659275232 415484769 /nfs/dbraw/zinc/48/47/69/415484769.db2.gz KRZPJQKPRISSJL-AWEZNQCLSA-N 1 0 280.393 2.116 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccccn1)N1C[C@@H](C)S[C@@H](C)C1 ZINC000070382200 175902360 /nfs/dbraw/zinc/90/23/60/175902360.db2.gz YPPMYIMOGBYLMJ-GFQSEFKGSA-N 1 0 265.426 2.296 10 0 CEAERO Cc1cc(C)cc(C[C@H]([NH3+])Cc2ccnc(N)c2)c1 ZINC000070403355 175911684 /nfs/dbraw/zinc/91/16/84/175911684.db2.gz QRQWUHISBACFNJ-OAHLLOKOSA-N 1 0 255.365 2.393 10 0 CEAERO O=C(N[C@H]1CC[NH2+]C2(CCCCC2)C1)[C@@H]1CCCS1 ZINC000070437378 175932083 /nfs/dbraw/zinc/93/20/83/175932083.db2.gz GQOFPQQCAPKYQS-STQMWFEESA-N 1 0 282.453 2.453 10 0 CEAERO C[C@H]1CCCC[C@@H]1[N@H+](C)C[C@@](N)(CO)c1ccccc1 ZINC000070514628 175963899 /nfs/dbraw/zinc/96/38/99/175963899.db2.gz RWWIEMHDMFIQAM-BHYGNILZSA-N 1 0 276.424 2.343 10 0 CEAERO CC[NH2+][C@@](C)(CO)C[C@H](C)Oc1ccc(CCOC)cc1 ZINC000070519348 175966392 /nfs/dbraw/zinc/96/63/92/175966392.db2.gz XRJGJWWAOAYXPO-WMLDXEAASA-N 1 0 295.423 2.393 10 0 CEAERO C[C@@H]1CCC[C@H](CC[NH2+]CC(=O)N(C)C2CC2)C1 ZINC000070539049 175976174 /nfs/dbraw/zinc/97/61/74/175976174.db2.gz CHVCVOMTCFFCQO-CHWSQXEVSA-N 1 0 252.402 2.413 10 0 CEAERO C[C@H](NC(=O)c1ccccc1CC[NH3+])c1ccco1 ZINC000070541729 175977370 /nfs/dbraw/zinc/97/73/70/175977370.db2.gz TWCVFIOUOPGAFU-NSHDSACASA-N 1 0 258.321 2.272 10 0 CEAERO CC[C@H](CC1CC1)NC(=O)c1ccc(CC[NH3+])cc1 ZINC000070542455 175977790 /nfs/dbraw/zinc/97/77/90/175977790.db2.gz SWKWZAZCZKETKP-OAHLLOKOSA-N 1 0 260.381 2.496 10 0 CEAERO [NH3+][C@H]1CCC[C@H](c2nc3ccccc3n2CCO)C1 ZINC000070555605 175984080 /nfs/dbraw/zinc/98/40/80/175984080.db2.gz DHOMHIMEHNOACC-RYUDHWBXSA-N 1 0 259.353 2.014 10 0 CEAERO [NH3+][C@H]1CCC[C@@H](c2nc(Cc3ccc(O)cc3)no2)C1 ZINC000070557249 175985247 /nfs/dbraw/zinc/98/52/47/175985247.db2.gz VKFLKOLCIBYOHK-NEPJUHHUSA-N 1 0 273.336 2.351 10 0 CEAERO [NH3+]CCc1ccnc(-c2ccc(Br)s2)n1 ZINC000070598059 175995390 /nfs/dbraw/zinc/99/53/90/175995390.db2.gz NEJPUZATTFQUBD-UHFFFAOYSA-N 1 0 284.182 2.469 10 0 CEAERO [NH3+]Cc1nccnc1Sc1ccc(Cl)cn1 ZINC000070615261 175997329 /nfs/dbraw/zinc/99/73/29/175997329.db2.gz UBUHNYLIFUYCHJ-UHFFFAOYSA-N 1 0 252.730 2.135 10 0 CEAERO CCO[C@@H](C[NH3+])CSc1ccc(Br)cn1 ZINC000070615304 175997785 /nfs/dbraw/zinc/99/77/85/175997785.db2.gz ZHYJXYPUGILDMO-VIFPVBQESA-N 1 0 291.214 2.300 10 0 CEAERO NC(=S)[C@@H]1CCC[N@H+](CCc2cccs2)C1 ZINC000070663689 176000326 /nfs/dbraw/zinc/00/03/26/176000326.db2.gz BMQHPIIXZVMLNF-SNVBAGLBSA-N 1 0 254.424 2.289 10 0 CEAERO Cc1ccc(OC[C@@H]2C[NH2+]CCO2)c(Br)c1 ZINC000070834121 176008111 /nfs/dbraw/zinc/00/81/11/176008111.db2.gz JGFJYBCYZNUJGA-JTQLQIEISA-N 1 0 286.169 2.125 10 0 CEAERO COc1ccc(C(=O)N(CC[NH3+])C2CCCC2)cc1F ZINC000070943659 176016317 /nfs/dbraw/zinc/01/63/17/176016317.db2.gz HFYGZOHTIOBSDS-UHFFFAOYSA-N 1 0 280.343 2.178 10 0 CEAERO COc1ccc(C(=O)N(CC[NH3+])C2CCCC2)c(OC)c1 ZINC000070943615 176016370 /nfs/dbraw/zinc/01/63/70/176016370.db2.gz IZATWVVEDSQPFG-UHFFFAOYSA-N 1 0 292.379 2.047 10 0 CEAERO CO[C@H](C(=O)N(CC[NH3+])C1CCCC1)c1ccccc1 ZINC000070943573 176016612 /nfs/dbraw/zinc/01/66/12/176016612.db2.gz VKQPSRLJQXSSES-HNNXBMFYSA-N 1 0 276.380 2.104 10 0 CEAERO [NH3+][C@H]1CCC(=O)N(C2CC2)[C@@H]1c1cccc(F)c1F ZINC000070987548 176018430 /nfs/dbraw/zinc/01/84/30/176018430.db2.gz BQYQVDHAGYKEEA-SMDDNHRTSA-N 1 0 266.291 2.118 10 0 CEAERO CC[C@@]1(C)C[C@H]([NH2+][C@@H]2CN3CCC2CC3)CCO1 ZINC000070988086 176018485 /nfs/dbraw/zinc/01/84/85/176018485.db2.gz HKRQUDITXLDAAI-KFWWJZLASA-N 1 0 252.402 2.018 10 0 CEAERO [NH3+][C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000070987092 176018514 /nfs/dbraw/zinc/01/85/14/176018514.db2.gz FDMUXUXCCHZUQM-BXUZGUMPSA-N 1 0 284.281 2.257 10 0 CEAERO [NH3+][C@H]1CCC(=O)N(C2CC2)[C@@H]1c1c(F)cccc1F ZINC000070987294 176018661 /nfs/dbraw/zinc/01/86/61/176018661.db2.gz OZVBJVISSQVGKD-FZMZJTMJSA-N 1 0 266.291 2.118 10 0 CEAERO CCC[C@H](C(N)=S)[NH+]1CCN(Cc2ccccc2)CC1 ZINC000070996207 176021055 /nfs/dbraw/zinc/02/10/55/176021055.db2.gz LMLBDXMGSOEQKA-OAHLLOKOSA-N 1 0 291.464 2.259 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN(c2ccc(N3CCCC3)cc2)C1=O ZINC000071031285 176022582 /nfs/dbraw/zinc/02/25/82/176022582.db2.gz ZSFBGHBNKSTTJR-MRXNPFEDSA-N 1 0 287.407 2.390 10 0 CEAERO Cc1ccc([C@H](C)N2CC[C@@H]([NH2+]C3CC3)C2=O)s1 ZINC000071032297 176023851 /nfs/dbraw/zinc/02/38/51/176023851.db2.gz LAZJOWPKVJEHKC-CMPLNLGQSA-N 1 0 264.394 2.470 10 0 CEAERO CCOc1ccccc1N1CC[C@H]([NH2+]C(C)C)C1=O ZINC000071038140 176026423 /nfs/dbraw/zinc/02/64/23/176026423.db2.gz CJVPHNBIPSRTNV-LBPRGKRZSA-N 1 0 262.353 2.189 10 0 CEAERO CC(C)[NH2+][C@H]1CCN(c2cccc3cccnc32)C1=O ZINC000071037586 176026533 /nfs/dbraw/zinc/02/65/33/176026533.db2.gz ZOGKMTBYQSAIFA-ZDUSSCGKSA-N 1 0 269.348 2.338 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCN1[C@@H]1CCCc2sccc21 ZINC000071042758 176029334 /nfs/dbraw/zinc/02/93/34/176029334.db2.gz UMCPAFFPJLSWNM-CHWSQXEVSA-N 1 0 276.405 2.478 10 0 CEAERO c1ccc2c(c1)CCO[C@@H]2C[NH2+]C[C@@H]1CCCCO1 ZINC000071090958 176031117 /nfs/dbraw/zinc/03/11/17/176031117.db2.gz RVPGJVCMDYRERW-GOEBONIOSA-N 1 0 261.365 2.459 10 0 CEAERO CC[C@H]1CCC[C@](C[NH3+])(N(C)Cc2cnn(C)c2)C1 ZINC000071123875 176035260 /nfs/dbraw/zinc/03/52/60/176035260.db2.gz AOMDKCXZKWZDIT-ZFWWWQNUSA-N 1 0 264.417 2.150 10 0 CEAERO CC[NH2+][C@@](CO[C@@H]1CCC[C@@H](CC)C1)(C(N)=O)C1CC1 ZINC000071133954 176035602 /nfs/dbraw/zinc/03/56/02/176035602.db2.gz ASAWZAZRCMHOFZ-XNRPHZJLSA-N 1 0 282.428 2.215 10 0 CEAERO CC[C@@H]1CCC[C@@](CO)([NH2+]CCN(CC)CC)C1 ZINC000071127821 176035955 /nfs/dbraw/zinc/03/59/55/176035955.db2.gz LWPUEZRYQWKVDL-HUUCEWRRSA-N 1 0 256.434 2.249 10 0 CEAERO C[NH2+]C[C@@H]1CC[C@@H](COc2cc(F)ccc2F)O1 ZINC000071168730 176049711 /nfs/dbraw/zinc/04/97/11/176049711.db2.gz ZSFOKZQPGQWEHM-QWRGUYRKSA-N 1 0 257.280 2.111 10 0 CEAERO C[NH2+]C[C@@H]1CC[C@H](COc2cc(F)ccc2F)O1 ZINC000071168728 176049906 /nfs/dbraw/zinc/04/99/06/176049906.db2.gz ZSFOKZQPGQWEHM-WDEREUQCSA-N 1 0 257.280 2.111 10 0 CEAERO CC(C)Oc1cncc(N[C@H](C)[C@H]2CCC[NH2+]C2)n1 ZINC000071176066 176054815 /nfs/dbraw/zinc/05/48/15/176054815.db2.gz ZKSHNLCQYNCHLK-NEPJUHHUSA-N 1 0 264.373 2.064 10 0 CEAERO NC(=[NH2+])c1cnc(Sc2ccc3c(c2)CCC3)cn1 ZINC000071180551 176056345 /nfs/dbraw/zinc/05/63/45/176056345.db2.gz AZHRASRPSGSVMG-UHFFFAOYSA-N 1 0 270.361 2.401 10 0 CEAERO Cc1cc(C[NH2+]C(C)C)cc(C)c1O[C@@H]1CCN(C)C1=O ZINC000071182794 176057872 /nfs/dbraw/zinc/05/78/72/176057872.db2.gz OSGAFHRIUAKXEK-OAHLLOKOSA-N 1 0 290.407 2.411 10 0 CEAERO CC[NH2+][C@@H](CC)c1ccccc1O[C@@H]1CCN(C)C1=O ZINC000071182884 176058202 /nfs/dbraw/zinc/05/82/02/176058202.db2.gz MLHWRPQFZLKXQX-DZGCQCFKSA-N 1 0 276.380 2.357 10 0 CEAERO CN1CC[C@H](Oc2ccccc2C[NH2+]C(C)(C)C)C1=O ZINC000071183145 176058366 /nfs/dbraw/zinc/05/83/66/176058366.db2.gz IJYRAHRGCJCDLA-AWEZNQCLSA-N 1 0 276.380 2.184 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc(Cl)ccc1O[C@@H]1CCN(C)C1=O ZINC000071184772 176059440 /nfs/dbraw/zinc/05/94/40/176059440.db2.gz XHBJXMXXOURNAL-TZMCWYRMSA-N 1 0 296.798 2.229 10 0 CEAERO COCC[NH2+]CCCc1cnn(Cc2ccc(F)cc2)c1 ZINC000071193466 176075491 /nfs/dbraw/zinc/07/54/91/176075491.db2.gz VZHUGVFMILHARA-UHFFFAOYSA-N 1 0 291.370 2.239 10 0 CEAERO CCC[NH2+][C@H]1CCCN(Cc2ccc3c(c2)OCO3)C1 ZINC000071199692 176077097 /nfs/dbraw/zinc/07/70/97/176077097.db2.gz PZKBUUUIYUEOEW-AWEZNQCLSA-N 1 0 276.380 2.379 10 0 CEAERO C[NH2+][C@@H]1CCCN(CCc2cc(F)cc(F)c2)C1 ZINC000071199525 176077181 /nfs/dbraw/zinc/07/71/81/176077181.db2.gz XQQSWAXGYLGSSC-CQSZACIVSA-N 1 0 254.324 2.191 10 0 CEAERO CC[NH2+][C@@H]1CCCN(CCc2ccc(OC)c(OC)c2)C1 ZINC000071198238 176077276 /nfs/dbraw/zinc/07/72/76/176077276.db2.gz JHJZNOWWTQEOLK-OAHLLOKOSA-N 1 0 292.423 2.320 10 0 CEAERO Cc1ncc(CN2CCC[C@@H]([NH2+]C3CC3)C2)s1 ZINC000071200744 176077765 /nfs/dbraw/zinc/07/77/65/176077765.db2.gz MJYMASTVLSZVCE-GFCCVEGCSA-N 1 0 251.399 2.168 10 0 CEAERO CCc1ccc(C[N@H+](CCOC)CCC(N)=S)cc1 ZINC000071225488 176089018 /nfs/dbraw/zinc/08/90/18/176089018.db2.gz XAMJHUKFKNSVOE-UHFFFAOYSA-N 1 0 280.437 2.374 10 0 CEAERO COC[C@H](O)C[NH2+][C@H](C)c1c(C)cc(C)cc1C ZINC000071266133 176100063 /nfs/dbraw/zinc/10/00/63/176100063.db2.gz HOINHHQPJHLTPQ-ZIAGYGMSSA-N 1 0 251.370 2.270 10 0 CEAERO NC(=[NH2+])c1cc(F)ccc1COCCc1ccccn1 ZINC000071268277 176101500 /nfs/dbraw/zinc/10/15/00/176101500.db2.gz NTQMHWUGYOZFEC-UHFFFAOYSA-N 1 0 273.311 2.264 10 0 CEAERO CCOC(=O)CCCCC[N@@H+]1CCN(C)[C@@H](CC)C1 ZINC000071293493 176111778 /nfs/dbraw/zinc/11/17/78/176111778.db2.gz DRGSAKKUKMAFIH-AWEZNQCLSA-N 1 0 270.417 2.136 10 0 CEAERO C[C@H]([NH2+]C[C@@H](O)C1CC1)c1ccc(-n2ccnc2)cc1 ZINC000071300577 176113443 /nfs/dbraw/zinc/11/34/43/176113443.db2.gz BCGVRKOSVJVPJD-BLLLJJGKSA-N 1 0 271.364 2.294 10 0 CEAERO COc1ccc(C2CC([NH2+]C[C@H](O)C3CC3)C2)cc1 ZINC000071301185 176114075 /nfs/dbraw/zinc/11/40/75/176114075.db2.gz HMGVDLOKEUDBAV-XUJLQICISA-N 1 0 261.365 2.302 10 0 CEAERO CCN(CCOc1ccc(Cl)cc1)[C@H]1CC[NH2+]C1 ZINC000071313911 176120310 /nfs/dbraw/zinc/12/03/10/176120310.db2.gz ROCXUKHMGNKUBW-ZDUSSCGKSA-N 1 0 268.788 2.403 10 0 CEAERO CCCN(C(=O)c1cccn1C(C)C)[C@@H]1CC[NH2+]C1 ZINC000071315409 176121401 /nfs/dbraw/zinc/12/14/01/176121401.db2.gz POSYTVJLBOXSTJ-CYBMUJFWSA-N 1 0 263.385 2.283 10 0 CEAERO C[C@H]1CCC[NH2+][C@@H]1CNC(=O)CCc1ccccc1 ZINC000071338477 176128703 /nfs/dbraw/zinc/12/87/03/176128703.db2.gz HWXVHSGWBISGQM-DZGCQCFKSA-N 1 0 260.381 2.124 10 0 CEAERO Cc1ccc(CC(=O)NC[C@H]2[NH2+]CCC[C@H]2C)cc1 ZINC000071338768 176128933 /nfs/dbraw/zinc/12/89/33/176128933.db2.gz LXPCQHNQAIJJNS-UKRRQHHQSA-N 1 0 260.381 2.042 10 0 CEAERO C[C@@H]1CCC[NH2+][C@@H]1CNC(=O)Nc1cccc(F)c1 ZINC000071338979 176129327 /nfs/dbraw/zinc/12/93/27/176129327.db2.gz VKWJOTQZIZKVMJ-ZWNOBZJWSA-N 1 0 265.332 2.335 10 0 CEAERO COc1ccccc1NC(=O)NC[C@@H]1[NH2+]CCC[C@@H]1C ZINC000071338957 176129404 /nfs/dbraw/zinc/12/94/04/176129404.db2.gz PWXXCJNPLPFNNY-AAEUAGOBSA-N 1 0 277.368 2.205 10 0 CEAERO C[C@H]1CCC[NH2+][C@H]1CN1C(=O)CC2(CCCCC2)CC1=O ZINC000071339271 176129573 /nfs/dbraw/zinc/12/95/73/176129573.db2.gz PFRMKNBXTAHDEN-KBPBESRZSA-N 1 0 292.423 2.474 10 0 CEAERO CC[C@@H]1CN(CCn2cccn2)C2(CCCCC2)C[NH2+]1 ZINC000071345437 176131381 /nfs/dbraw/zinc/13/13/81/176131381.db2.gz ZECUZJHDSHCKOR-OAHLLOKOSA-N 1 0 276.428 2.270 10 0 CEAERO C[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1C[C@@H]1CCCCO1 ZINC000071345907 176132095 /nfs/dbraw/zinc/13/20/95/176132095.db2.gz ZGKXTGHCODBYDU-MELADBBJSA-N 1 0 254.418 2.264 10 0 CEAERO C[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1C[C@@H]1CCCCO1 ZINC000071345901 176132161 /nfs/dbraw/zinc/13/21/61/176132161.db2.gz ZGKXTGHCODBYDU-RDBSUJKOSA-N 1 0 254.418 2.264 10 0 CEAERO CC(C)C[C@H]1CN(Cc2cnn(C)c2)[C@H](C(C)C)C[NH2+]1 ZINC000071350647 176134164 /nfs/dbraw/zinc/13/41/64/176134164.db2.gz ALMSBZUAPWRDRJ-HOTGVXAUSA-N 1 0 278.444 2.265 10 0 CEAERO C[N@H+](CCCn1ccc(N)n1)CC1CCCCC1 ZINC000071352214 176135049 /nfs/dbraw/zinc/13/50/49/176135049.db2.gz FMSNUHFKHMISKZ-UHFFFAOYSA-N 1 0 250.390 2.368 10 0 CEAERO C[C@@H]1CCC[C@@H]([N@H+](C)CCCn2ccc(N)n2)C1 ZINC000071352220 176135069 /nfs/dbraw/zinc/13/50/69/176135069.db2.gz GQJZUYWDVFQAKB-CHWSQXEVSA-N 1 0 250.390 2.366 10 0 CEAERO C[C@H]1C[NH2+][C@H](Cc2ccccc2)CN1Cc1ccccn1 ZINC000071352524 176135276 /nfs/dbraw/zinc/13/52/76/176135276.db2.gz NQSORYKMRXALJV-MAUKXSAKSA-N 1 0 281.403 2.487 10 0 CEAERO CCC[C@H]1C[NH2+][C@@H]([C@@H](C)CC)CN1Cc1cnn(C)c1 ZINC000071354708 176136682 /nfs/dbraw/zinc/13/66/82/176136682.db2.gz LGZCTAJGYUPDNN-CWRNSKLLSA-N 1 0 278.444 2.409 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(CCOCCOC)[C@@](C)(CC)C[NH2+]1 ZINC000071355934 176136976 /nfs/dbraw/zinc/13/69/76/176136976.db2.gz GKRXIVXEZRGUJL-PMPSAXMXSA-N 1 0 286.460 2.138 10 0 CEAERO CCOCC[N@@H+]1CC2(CCCC2)NC[C@]1(C)C1CC1 ZINC000071359164 176137303 /nfs/dbraw/zinc/13/73/03/176137303.db2.gz POZWZVPCNDTASX-OAHLLOKOSA-N 1 0 266.429 2.410 10 0 CEAERO CC[C@]1(C)C[NH2+]C2(CCCC2)CN1CCn1cccn1 ZINC000071359014 176137956 /nfs/dbraw/zinc/13/79/56/176137956.db2.gz PBTDDSXXGFDHEO-OAHLLOKOSA-N 1 0 276.428 2.270 10 0 CEAERO c1cnn(CCN2CC3(CCCC3)[NH2+]CC23CCCC3)c1 ZINC000071359114 176138009 /nfs/dbraw/zinc/13/80/09/176138009.db2.gz QKVLBCXBRDKVIE-UHFFFAOYSA-N 1 0 288.439 2.414 10 0 CEAERO C[C@@H]1C[NH2+]C2(CCCC2)CN1C[C@@H]1CCCCO1 ZINC000071358224 176138032 /nfs/dbraw/zinc/13/80/32/176138032.db2.gz FUDOONFLWQOGEP-KGLIPLIRSA-N 1 0 252.402 2.162 10 0 CEAERO Cc1nc(CSc2nnc(C[NH3+])n2C(C)C)cs1 ZINC000071374268 176139952 /nfs/dbraw/zinc/13/99/52/176139952.db2.gz HNIDGYIJPQEVNY-UHFFFAOYSA-N 1 0 283.426 2.375 10 0 CEAERO CCC(CC)(C[NH3+])Nc1nc2ccccc2cc1C(N)=O ZINC000071386178 176147323 /nfs/dbraw/zinc/14/73/23/176147323.db2.gz AZXBLSGMAOVYGX-UHFFFAOYSA-N 1 0 286.379 2.263 10 0 CEAERO [NH3+]Cc1cc2ccccc2nc1OCC1CCOCC1 ZINC000071385935 176147514 /nfs/dbraw/zinc/14/75/14/176147514.db2.gz AQYXSMDKMGRWCV-UHFFFAOYSA-N 1 0 272.348 2.499 10 0 CEAERO C[NH2+]Cc1cc(C)ccc1O[C@@H](C)C(=O)NC(C)C ZINC000071403678 176155423 /nfs/dbraw/zinc/15/54/23/176155423.db2.gz ZXXAGNZFHFKFJF-LBPRGKRZSA-N 1 0 264.369 2.006 10 0 CEAERO CCNC(=O)[C@H](C)Oc1ccc(C)cc1C[NH2+]C(C)C ZINC000071406635 176156503 /nfs/dbraw/zinc/15/65/03/176156503.db2.gz IICRPKHUGVXFLM-ZDUSSCGKSA-N 1 0 278.396 2.396 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc(C)ccc1O[C@@H](C)C(=O)NC1CC1 ZINC000071412127 176157592 /nfs/dbraw/zinc/15/75/92/176157592.db2.gz YMLPKZXEOYRIFK-GXTWGEPZSA-N 1 0 290.407 2.321 10 0 CEAERO CCc1ccc(S(=O)(=O)CC[NH2+]C(C)C)cc1 ZINC000071576817 176204582 /nfs/dbraw/zinc/20/45/82/176204582.db2.gz QXSKJUMFMMYKSA-UHFFFAOYSA-N 1 0 255.383 2.021 10 0 CEAERO COc1ccc(C2(C[NH3+])CC2)cc1Br ZINC000071577338 176205917 /nfs/dbraw/zinc/20/59/17/176205917.db2.gz KMHFJYXKOSIITK-UHFFFAOYSA-N 1 0 256.143 2.448 10 0 CEAERO O=C(c1cc(Br)cs1)[C@@H]1CCC[NH2+]1 ZINC000071585911 176211975 /nfs/dbraw/zinc/21/19/75/176211975.db2.gz QAQSIYTWOGVAMS-ZETCQYMHSA-N 1 0 260.156 2.445 10 0 CEAERO COc1ccc(Br)cc1[C@@H](O)[C@@H]([NH3+])C(C)C ZINC000071644295 176239504 /nfs/dbraw/zinc/23/95/04/176239504.db2.gz NNSIDCGLZZVBRA-NWDGAFQWSA-N 1 0 288.185 2.474 10 0 CEAERO CC(C)(C)OC(=O)Nc1ccc([C@@H]([NH3+])CO)cc1 ZINC000072199169 176339513 /nfs/dbraw/zinc/33/95/13/176339513.db2.gz LPRVGJUEFIVJKK-NSHDSACASA-N 1 0 252.314 2.026 10 0 CEAERO CO[C@H](CN1C[C@H]2CCC[N@@H+]2C[C@H]1C)C1CCCC1 ZINC000659930174 415788073 /nfs/dbraw/zinc/78/80/73/415788073.db2.gz XVULRVJKQZUROS-FVQBIDKESA-N 1 0 266.429 2.360 10 0 CEAERO CC(=O)N1CCc2cc([C@@H](O)CC[NH2+]CC(C)C)ccc21 ZINC000075251076 176679092 /nfs/dbraw/zinc/67/90/92/176679092.db2.gz GKSMLPPFSCAUBP-KRWDZBQOSA-N 1 0 290.407 2.265 10 0 CEAERO C[NH2+][C@H](C(=O)c1c(C)cc(OC)cc1OC)C(C)C ZINC000076372374 177008394 /nfs/dbraw/zinc/00/83/94/177008394.db2.gz GLULGVVOPKRINU-AWEZNQCLSA-N 1 0 265.353 2.439 10 0 CEAERO CC(C)Oc1ccccc1NC(=O)[C@@H](C)CC[NH3+] ZINC000076654593 177044381 /nfs/dbraw/zinc/04/43/81/177044381.db2.gz ZBNFWBDGYGWNKL-NSHDSACASA-N 1 0 250.342 2.397 10 0 CEAERO CC[C@@H](C)NC(=O)[C@@H](CC[NH3+])c1ccc(F)cc1 ZINC000076656560 177046106 /nfs/dbraw/zinc/04/61/06/177046106.db2.gz DWELZSSIFXKWKK-MFKMUULPSA-N 1 0 252.333 2.173 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@H](C[NH3+])C[C@@H]21 ZINC000076695462 177059818 /nfs/dbraw/zinc/05/98/18/177059818.db2.gz AMMDZGZPKLTFJI-UTUOFQBUSA-N 1 0 254.374 2.371 10 0 CEAERO C[C@H]1COC[C@H](C)[NH+]1CCC(=O)Nc1cccc(F)c1 ZINC000077367836 177258440 /nfs/dbraw/zinc/25/84/40/177258440.db2.gz HXHJEQJTZXXNJI-RYUDHWBXSA-N 1 0 280.343 2.264 10 0 CEAERO CC(C)(O)C[NH2+]CCOc1cccc(Br)c1 ZINC000078514937 177349079 /nfs/dbraw/zinc/34/90/79/177349079.db2.gz BTOOJPDWKLPDKI-UHFFFAOYSA-N 1 0 288.185 2.188 10 0 CEAERO [NH3+]CCCc1cnn(-c2nc3ccccc3s2)c1 ZINC000078947615 177408826 /nfs/dbraw/zinc/40/88/26/177408826.db2.gz IUYPFAXSLLKDJP-UHFFFAOYSA-N 1 0 258.350 2.373 10 0 CEAERO Cn1c2ccccc2nc1N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000079047899 177421495 /nfs/dbraw/zinc/42/14/95/177421495.db2.gz HNQSODKBKLSOJI-YOGCLGLASA-N 1 0 256.353 2.032 10 0 CEAERO C[C@H](CC[NH3+])CCC(=O)N(C)Cc1ccc2c(c1)OCO2 ZINC000079191176 177441980 /nfs/dbraw/zinc/44/19/80/177441980.db2.gz JMCXFUCXORFWKA-LBPRGKRZSA-N 1 0 292.379 2.139 10 0 CEAERO CC[C@@H](CC[NH3+])CCC(=O)N[C@H](C)c1cnn(C)c1C ZINC000079208414 177446324 /nfs/dbraw/zinc/44/63/24/177446324.db2.gz MCQBENJQCYXIQR-DGCLKSJQSA-N 1 0 280.416 2.061 10 0 CEAERO CCC[C@@H](CC[NH3+])CCC(=O)NCCc1cccnc1 ZINC000079237850 177453405 /nfs/dbraw/zinc/45/34/05/177453405.db2.gz DTMXNXSIFWAFNI-CQSZACIVSA-N 1 0 277.412 2.286 10 0 CEAERO CCOCCCNC(=O)CC[C@@H](CC[NH3+])C(C)(C)C ZINC000079288977 177464253 /nfs/dbraw/zinc/46/42/53/177464253.db2.gz WVVOFSXXFRTEOK-ZDUSSCGKSA-N 1 0 272.433 2.321 10 0 CEAERO CCC[C@H]1CCCN(C(=O)C[NH2+]CC2CC2)CC1 ZINC000079340092 177469662 /nfs/dbraw/zinc/46/96/62/177469662.db2.gz RCVAITQUHPNZRZ-ZDUSSCGKSA-N 1 0 252.402 2.415 10 0 CEAERO C[C@]1(C(=O)N2CCc3[nH]c4ccccc4c3C2)CCC[NH2+]1 ZINC000079516862 177512564 /nfs/dbraw/zinc/51/25/64/177512564.db2.gz MWWATDNCFXAQIV-QGZVFWFLSA-N 1 0 283.375 2.195 10 0 CEAERO C[C@@]1(C(=O)N(Cc2ccco2)CC(F)(F)F)CCC[NH2+]1 ZINC000079516578 177512704 /nfs/dbraw/zinc/51/27/04/177512704.db2.gz OTUJJJMDPDXZAB-LBPRGKRZSA-N 1 0 290.285 2.313 10 0 CEAERO C[C@H](O)c1ccccc1NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+] ZINC000079533738 177516854 /nfs/dbraw/zinc/51/68/54/177516854.db2.gz MOJIDNUOKYATGW-OJBMOBIPSA-N 1 0 274.364 2.052 10 0 CEAERO C[N@H+](CC1CCOCC1)[C@H]1CC(C)(C)CC[C@@H]1O ZINC000079659397 177532095 /nfs/dbraw/zinc/53/20/95/177532095.db2.gz ZTGNPOBROXWVQH-KBPBESRZSA-N 1 0 255.402 2.284 10 0 CEAERO O=C(c1ccc(Cl)cn1)N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000079730416 177545036 /nfs/dbraw/zinc/54/50/36/177545036.db2.gz BPJWUZZAOIBTBX-WCQYABFASA-N 1 0 279.771 2.092 10 0 CEAERO CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CNc2ccccc2C1 ZINC000079893865 177576708 /nfs/dbraw/zinc/57/67/08/177576708.db2.gz DSQANWQLIBWLAK-HIFRSBDPSA-N 1 0 289.423 2.117 10 0 CEAERO COc1cc(OC)cc([C@H]2OCCC[C@@H]2C[NH3+])c1 ZINC000079898750 177578023 /nfs/dbraw/zinc/57/80/23/177578023.db2.gz KMCYGYWNILHZKI-YGRLFVJLSA-N 1 0 251.326 2.130 10 0 CEAERO Cc1cccc(Cc2nc(C[NH2+]C(C)C)cc(=O)[nH]2)c1 ZINC000079940288 177584899 /nfs/dbraw/zinc/58/48/99/177584899.db2.gz CUWBRVQUCZAVJZ-UHFFFAOYSA-N 1 0 271.364 2.167 10 0 CEAERO CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC000080148980 177614706 /nfs/dbraw/zinc/61/47/06/177614706.db2.gz MHUYUWFJNGXPSA-XWIASGKRSA-N 1 0 292.345 2.469 10 0 CEAERO C[NH2+][C@H]1CCO[C@@](C)(Cc2ccc(OC)c(OC)c2)C1 ZINC000080184945 177620442 /nfs/dbraw/zinc/62/04/42/177620442.db2.gz WEYDOKJFEKJOQN-BBRMVZONSA-N 1 0 279.380 2.403 10 0 CEAERO Cc1ccccc1C[C@@H](C)NC(=O)C[C@H]([NH3+])C(C)C ZINC000136368993 419443086 /nfs/dbraw/zinc/44/30/86/419443086.db2.gz KVXDJSHDOOGZER-HIFRSBDPSA-N 1 0 262.397 2.416 10 0 CEAERO COc1ccc([C@H](C)NC(=O)C[C@@H]([NH3+])C(C)C)cc1F ZINC000136350617 419443500 /nfs/dbraw/zinc/44/35/00/419443500.db2.gz AUGZAGUMVDGTRS-GXFFZTMASA-N 1 0 282.359 2.385 10 0 CEAERO Cc1csc([C@@H](C)NC(=O)C[C@H]([NH3+])C(C)C)n1 ZINC000136471388 419447927 /nfs/dbraw/zinc/44/79/27/419447927.db2.gz HLEMRWZUGSAWFD-ZJUUUORDSA-N 1 0 255.387 2.002 10 0 CEAERO C[C@@H]1CCN(c2nccc(C(C)(C)C)n2)[C@@H](C[NH3+])C1 ZINC000261581152 287607644 /nfs/dbraw/zinc/60/76/44/287607644.db2.gz FVNJUAOZIHMNAS-VXGBXAGGSA-N 1 0 262.401 2.338 10 0 CEAERO Cc1ncc(C[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)n1C ZINC000497205725 262105843 /nfs/dbraw/zinc/10/58/43/262105843.db2.gz YTGIQCDQLKCCQG-LLVKDONJSA-N 1 0 296.415 2.121 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)/C=C/c2scnc2C)C1 ZINC000188891551 270258294 /nfs/dbraw/zinc/25/82/94/270258294.db2.gz RRLBBIQHBAEPCU-NNNHXZLVSA-N 1 0 279.409 2.065 10 0 CEAERO CN(CC(=O)OC(C)(C)C)C1CC[NH+](CCCF)CC1 ZINC000191986794 270276138 /nfs/dbraw/zinc/27/61/38/270276138.db2.gz NKXPFIBENSTRHM-UHFFFAOYSA-N 1 0 288.407 2.084 10 0 CEAERO CC[C@@H]1CCCN(C(=O)N[C@@H]2CCC[N@H+](CC)C2)C1 ZINC000194176336 270293800 /nfs/dbraw/zinc/29/38/00/270293800.db2.gz QRDIOXDUXNEWDP-ZIAGYGMSSA-N 1 0 267.417 2.302 10 0 CEAERO Fc1ccc(Br)cc1CCN[C@@H]1CC[NH2+]C1 ZINC000259102054 270329421 /nfs/dbraw/zinc/32/94/21/270329421.db2.gz SDVVTUUPWOXERW-LLVKDONJSA-N 1 0 287.176 2.082 10 0 CEAERO COc1cc(C)c(C[N@@H+]2C[C@H](O)CC[C@@H]2C)cc1OC ZINC000399391362 270369215 /nfs/dbraw/zinc/36/92/15/270369215.db2.gz CTPADHYIAHWVOD-GXTWGEPZSA-N 1 0 279.380 2.357 10 0 CEAERO C[C@H](CC1CCCCC1)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000423764615 270941952 /nfs/dbraw/zinc/94/19/52/270941952.db2.gz SECGACWPOBSVNR-YRGRVCCFSA-N 1 0 252.402 2.317 10 0 CEAERO Cc1ccc(SCCC(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000423948407 270990685 /nfs/dbraw/zinc/99/06/85/270990685.db2.gz JTNCCTUSGRWRBE-OCCSQVGLSA-N 1 0 278.421 2.283 10 0 CEAERO C[C@@H](CC(N)=O)[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000124179701 274207845 /nfs/dbraw/zinc/20/78/45/274207845.db2.gz PLJJDNHJHNAOSX-CMPLNLGQSA-N 1 0 262.353 2.142 10 0 CEAERO Cc1nc(-c2ccccc2)nc(N2CC[C@H]([NH3+])C2)c1C ZINC000045947076 274835567 /nfs/dbraw/zinc/83/55/67/274835567.db2.gz YPYGQPINIOBXII-AWEZNQCLSA-N 1 0 268.364 2.298 10 0 CEAERO Cc1nc(N2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1Br ZINC000235687537 274841952 /nfs/dbraw/zinc/84/19/52/274841952.db2.gz NMDYJBBGCVYOST-GZMMTYOYSA-N 1 0 284.201 2.326 10 0 CEAERO Cc1nc(N2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1Br ZINC000261557800 274842732 /nfs/dbraw/zinc/84/27/32/274842732.db2.gz SCJUMLWPJFHUDJ-QWRGUYRKSA-N 1 0 296.212 2.198 10 0 CEAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCNC2=O)c2ccccc21 ZINC000211852685 287793152 /nfs/dbraw/zinc/79/31/52/287793152.db2.gz DKGPFSGAHKAXEN-BYCMXARLSA-N 1 0 258.365 2.493 10 0 CEAERO O=C1Nc2c(Cl)cccc2CN1C1CC[NH2+]CC1 ZINC000200106705 275024717 /nfs/dbraw/zinc/02/47/17/275024717.db2.gz BAZBCRKPYFZMSB-UHFFFAOYSA-N 1 0 265.744 2.440 10 0 CEAERO c1ccc2[nH]c(N3CC[N@H+]4CCCC[C@H]4C3)nc2c1 ZINC000270547495 275069003 /nfs/dbraw/zinc/06/90/03/275069003.db2.gz FCRWTDRQZITOER-LBPRGKRZSA-N 1 0 256.353 2.237 10 0 CEAERO c1coc(-c2nc3cccnc3n2[C@H]2CC[NH2+]C2)c1 ZINC000085347884 275074648 /nfs/dbraw/zinc/07/46/48/275074648.db2.gz HPYNBTTVAFTMJI-JTQLQIEISA-N 1 0 254.293 2.226 10 0 CEAERO Brc1cccnc1N1CCC2(C1)CC[NH2+]CC2 ZINC000335294216 275375412 /nfs/dbraw/zinc/37/54/12/275375412.db2.gz CDEKTAXOMVGTFU-UHFFFAOYSA-N 1 0 296.212 2.424 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000096032657 275826152 /nfs/dbraw/zinc/82/61/52/275826152.db2.gz BSKPTFCIFODADH-JGVFFNPUSA-N 1 0 268.279 2.133 10 0 CEAERO CC1(C)CN(C(=O)[C@@H]2CCc3ccccc32)CC[C@@H]1[NH3+] ZINC000261692516 275839585 /nfs/dbraw/zinc/83/95/85/275839585.db2.gz DGWVNUBUMQADQC-CABCVRRESA-N 1 0 272.392 2.302 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000125564954 276376882 /nfs/dbraw/zinc/37/68/82/276376882.db2.gz QFIWUNJSIDHIPT-KGLIPLIRSA-N 1 0 297.443 2.070 10 0 CEAERO CCc1ccc([C@@H]2CCCCN2C(=O)[C@H](C)[NH3+])o1 ZINC000157356482 276690372 /nfs/dbraw/zinc/69/03/72/276690372.db2.gz CFQDOOOYXDLKHL-JQWIXIFHSA-N 1 0 250.342 2.243 10 0 CEAERO CN(C[C@@H]1CCC[NH2+]1)c1cccc(Br)n1 ZINC000095070914 276967208 /nfs/dbraw/zinc/96/72/08/276967208.db2.gz YUAXVQQAWDYCQU-VIFPVBQESA-N 1 0 270.174 2.032 10 0 CEAERO CN1c2ccccc2[C@@H]([NH2+]C[C@@]2(C)CCCO2)CC1=O ZINC000094796889 277218047 /nfs/dbraw/zinc/21/80/47/277218047.db2.gz BSAJPVDQTKSVOI-XJKSGUPXSA-N 1 0 274.364 2.253 10 0 CEAERO CNc1cc(N2CCC[C@@H]2C[NH2+]CC=C(C)C)ncn1 ZINC000237060402 277301895 /nfs/dbraw/zinc/30/18/95/277301895.db2.gz ZGPXBHQDRNOWIC-CYBMUJFWSA-N 1 0 275.400 2.043 10 0 CEAERO CO[C@@H](CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccc(F)cc1 ZINC000261647804 277635756 /nfs/dbraw/zinc/63/57/56/277635756.db2.gz DHVKRQBHFPENFR-YUELXQCFSA-N 1 0 294.370 2.004 10 0 CEAERO COc1ccc([C@H]([NH2+]C[C@H]2CN(C)CCO2)C(C)C)cc1 ZINC000180163482 277934338 /nfs/dbraw/zinc/93/43/38/277934338.db2.gz XPKJYQHUCZOMEY-DLBZAZTESA-N 1 0 292.423 2.313 10 0 CEAERO COc1ccsc1[C@H](C)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000186207350 278070891 /nfs/dbraw/zinc/07/08/91/278070891.db2.gz OYWSTTIOBJXIKB-VHSXEESVSA-N 1 0 278.381 2.014 10 0 CEAERO C[C@@H]1c2ccsc2CCN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000089745784 278111575 /nfs/dbraw/zinc/11/15/75/278111575.db2.gz MDKKYXZYITTXGC-MNOVXSKESA-N 1 0 264.394 2.193 10 0 CEAERO C[C@@H](C(=O)N1CCCCc2ccccc21)C1C[NH2+]C1 ZINC000164614130 278190045 /nfs/dbraw/zinc/19/00/45/278190045.db2.gz VIGDYZXOJXZWFG-GFCCVEGCSA-N 1 0 258.365 2.211 10 0 CEAERO CC1(C)CCC[NH2+][C@@H]1C(=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000261549374 278220620 /nfs/dbraw/zinc/22/06/20/278220620.db2.gz HZNWSUXLMAHFKX-RWMBFGLXSA-N 1 0 250.386 2.023 10 0 CEAERO C[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1nccn1C ZINC000343536134 278262835 /nfs/dbraw/zinc/26/28/35/278262835.db2.gz PMQDJKIRLBTGGS-RNJOBUHISA-N 1 0 251.374 2.274 10 0 CEAERO CC(C)(C(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000171587145 278264326 /nfs/dbraw/zinc/26/43/26/278264326.db2.gz XMXZUNIYKZPTBK-HNNXBMFYSA-N 1 0 290.382 2.410 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCc2c1cccc2O)C(=O)N1CCCCC1 ZINC000037784484 278276189 /nfs/dbraw/zinc/27/61/89/278276189.db2.gz OVXJIHKINDSMNF-SWLSCSKDSA-N 1 0 288.391 2.370 10 0 CEAERO C[C@H]1CCCC[C@@H]1OCCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261699986 278336724 /nfs/dbraw/zinc/33/67/24/278336724.db2.gz IGFFNJWNTOARFA-YJNKXOJESA-N 1 0 282.428 2.073 10 0 CEAERO C[C@H]1CCCN(c2cncc(Br)c2)[C@H]1C[NH3+] ZINC000261563782 278344314 /nfs/dbraw/zinc/34/43/14/278344314.db2.gz BZRXEYREUXOGHB-CABZTGNLSA-N 1 0 284.201 2.408 10 0 CEAERO C[C@H]1CCCN(c2ncnc3ccsc32)[C@H]1C[NH3+] ZINC000252125216 278344647 /nfs/dbraw/zinc/34/46/47/278344647.db2.gz JYYNUIJZHQOXRS-ONGXEEELSA-N 1 0 262.382 2.255 10 0 CEAERO C[C@@H]([NH2+]Cc1cn[nH]c1)c1ccc2c(c1)OCCCO2 ZINC000038005715 278359569 /nfs/dbraw/zinc/35/95/69/278359569.db2.gz ANLJJPXFGSVLHF-LLVKDONJSA-N 1 0 273.336 2.422 10 0 CEAERO CC(C)(C)OC[C@@H](O)C[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000190528568 278466613 /nfs/dbraw/zinc/46/66/13/278466613.db2.gz RLXKQEDJYIMYJZ-LBPRGKRZSA-N 1 0 273.417 2.052 10 0 CEAERO C[C@@H]1CCN(c2ccc(Br)cn2)C[C@H]1C[NH3+] ZINC000253191202 278557303 /nfs/dbraw/zinc/55/73/03/278557303.db2.gz LVYHUVJKNOJFBR-NXEZZACHSA-N 1 0 284.201 2.265 10 0 CEAERO C[C@@H]1CN(c2ccc(C(F)(F)F)cn2)CC[C@H]1[NH3+] ZINC000251741411 278802221 /nfs/dbraw/zinc/80/22/21/278802221.db2.gz KWIYWLWGOHRPKY-PSASIEDQSA-N 1 0 259.275 2.274 10 0 CEAERO C[C@@H]1C[C@@H](C[NH3+])CN1c1cccc(C(F)(F)F)n1 ZINC000216191695 278890965 /nfs/dbraw/zinc/89/09/65/278890965.db2.gz ZYVHUARQCAQHRQ-BDAKNGLRSA-N 1 0 259.275 2.274 10 0 CEAERO C[C@@H]1Cc2ccccc2[C@H]1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261857061 279023362 /nfs/dbraw/zinc/02/33/62/279023362.db2.gz WNAZLRDYKZVURN-CUBALJKWSA-N 1 0 272.392 2.411 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cccc2c1OCO2 ZINC000068224278 279132753 /nfs/dbraw/zinc/13/27/53/279132753.db2.gz AFDDZUNSIQIHJU-GFCCVEGCSA-N 1 0 292.379 2.121 10 0 CEAERO C[C@H]([NH3+])[C@H]1CCN(c2cccc(C(F)(F)F)n2)C1 ZINC000127304285 279421803 /nfs/dbraw/zinc/42/18/03/279421803.db2.gz HVFZODYFLDPDDM-IUCAKERBSA-N 1 0 259.275 2.274 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc2ncsc2c1 ZINC000178152548 279641142 /nfs/dbraw/zinc/64/11/42/279641142.db2.gz ZFRTVPQNULAPMB-QWRGUYRKSA-N 1 0 275.377 2.154 10 0 CEAERO COc1ccc(CC[C@@H](C)[NH2+]CC2CC(O)C2)cc1 ZINC000091415654 279708718 /nfs/dbraw/zinc/70/87/18/279708718.db2.gz QHYXOAWZMDWODJ-LRVUVFPRSA-N 1 0 263.381 2.377 10 0 CEAERO O=C(COC1CC[NH2+]CC1)N1CCC[C@@H]1c1ccccc1 ZINC000111795333 279784905 /nfs/dbraw/zinc/78/49/05/279784905.db2.gz ICNXMGWYFKOLRE-MRXNPFEDSA-N 1 0 288.391 2.119 10 0 CEAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](CC[C@@H]3CCCO3)C2)n1 ZINC000189204908 280145897 /nfs/dbraw/zinc/14/58/97/280145897.db2.gz SQWKSMFUYBGUAC-HOTGVXAUSA-N 1 0 292.427 2.176 10 0 CEAERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCCO[C@@H]1C ZINC000250978310 280254136 /nfs/dbraw/zinc/25/41/36/280254136.db2.gz VLTXTOCKMYHMCW-KFWWJZLASA-N 1 0 282.428 2.182 10 0 CEAERO CCOc1ccc(OCCN2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000246710287 280307167 /nfs/dbraw/zinc/30/71/67/280307167.db2.gz UKSMIQYJDGJQJA-HNNXBMFYSA-N 1 0 290.407 2.244 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nc(C2CCCC2)no1 ZINC000246787047 280310041 /nfs/dbraw/zinc/31/00/41/280310041.db2.gz SAIZZCNJAKSULY-JSGCOSHPSA-N 1 0 290.411 2.396 10 0 CEAERO Cc1cc(Br)cnc1N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261554168 280311668 /nfs/dbraw/zinc/31/16/68/280311668.db2.gz OPEFVINWJLSKHU-PWSUYJOCSA-N 1 0 296.212 2.341 10 0 CEAERO CO[C@]1(C)C[C@@H]([N@H+](C)C[C@@H](O)COC(C)(C)C)C1(C)C ZINC000247549160 280333339 /nfs/dbraw/zinc/33/33/39/280333339.db2.gz PTNSICJBXHYTND-XJKCOSOUSA-N 1 0 287.444 2.298 10 0 CEAERO C[C@@H]1CC[C@H](C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)O1 ZINC000248122539 280342358 /nfs/dbraw/zinc/34/23/58/280342358.db2.gz UOWXUKLHDTYIQL-BVUBDWEXSA-N 1 0 288.391 2.116 10 0 CEAERO C[C@H](O)CN1CC[N@H+](C[C@@H]2CCCC[C@@H]2C)C[C@H]1C ZINC000248485768 280349833 /nfs/dbraw/zinc/34/98/33/280349833.db2.gz KVSCDGMXHJSHJC-FZKCQIBNSA-N 1 0 268.445 2.200 10 0 CEAERO CCCCOC[C@H](O)C[N@H+](C)[C@H](C)c1ccco1 ZINC000248654692 280357796 /nfs/dbraw/zinc/35/77/96/280357796.db2.gz PTDAIKUPSJEKFD-CHWSQXEVSA-N 1 0 255.358 2.450 10 0 CEAERO C[C@@H]1COCC[C@@H]1C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000248843010 280368130 /nfs/dbraw/zinc/36/81/30/280368130.db2.gz GSYUWDXFUUIBQT-VNQPRFMTSA-N 1 0 290.407 2.078 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCS[C@H](C)CC2)C1 ZINC000249075593 280382864 /nfs/dbraw/zinc/38/28/64/280382864.db2.gz RAIMNUQCXURKCB-MGPQQGTHSA-N 1 0 299.484 2.252 10 0 CEAERO Cc1nccnc1[C@H](C)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000249168739 280387393 /nfs/dbraw/zinc/38/73/93/280387393.db2.gz ABIIGJJCWJRWAE-KWCYVHTRSA-N 1 0 262.401 2.164 10 0 CEAERO Cc1cc(C)c(S(=O)(=O)N[C@](C)(C[NH3+])C2CC2)c(C)c1 ZINC000133760748 280396647 /nfs/dbraw/zinc/39/66/47/280396647.db2.gz NHAODSQYWSYTRS-OAHLLOKOSA-N 1 0 296.436 2.018 10 0 CEAERO Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000423639902 281072848 /nfs/dbraw/zinc/07/28/48/281072848.db2.gz JSQSRFXXQQCXSX-DMDPSCGWSA-N 1 0 296.798 2.364 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(Cl)cn1C ZINC000175050202 281191162 /nfs/dbraw/zinc/19/11/62/281191162.db2.gz FBAIJNGVWJSFBS-QWHCGFSZSA-N 1 0 295.814 2.377 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(F)ccc1O ZINC000179669052 281191207 /nfs/dbraw/zinc/19/12/07/281191207.db2.gz OLBHTKRZLDRUFT-QWHCGFSZSA-N 1 0 292.354 2.230 10 0 CEAERO Cc1cccc2ncnc(N3CC[C@H]([NH+](C)C)C3)c12 ZINC000176806501 281323986 /nfs/dbraw/zinc/32/39/86/281323986.db2.gz CJGIPCITIJRXSS-LBPRGKRZSA-N 1 0 256.353 2.079 10 0 CEAERO C[C@@H]1OCC[C@@]1(O)C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000300423708 288899379 /nfs/dbraw/zinc/89/93/79/288899379.db2.gz JSTHAGAZQJFZKI-UKTARXLSSA-N 1 0 255.402 2.331 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)CCOc1cccc(OC)c1 ZINC000154818026 289155477 /nfs/dbraw/zinc/15/54/77/289155477.db2.gz IXMXIIFRUSMITI-HNNXBMFYSA-N 1 0 292.423 2.490 10 0 CEAERO OC[C@@H]1C[C@H]1[NH2+]Cc1cscc1C(F)(F)F ZINC000309594650 289277905 /nfs/dbraw/zinc/27/79/05/289277905.db2.gz UDWGGXXXSGIZAA-IMTBSYHQSA-N 1 0 251.273 2.237 10 0 CEAERO CN(C)c1ccc(C(=O)NCC2([NH3+])CCCCC2)cc1 ZINC000313008071 289282270 /nfs/dbraw/zinc/28/22/70/289282270.db2.gz NVUFPZPNXONJAP-UHFFFAOYSA-N 1 0 275.396 2.144 10 0 CEAERO C[C@H](C(=O)NC1(c2ccc(Cl)cc2)CC1)C1C[NH2+]C1 ZINC000262566548 289343015 /nfs/dbraw/zinc/34/30/15/289343015.db2.gz RTPVUHUYNKFNMN-JTQLQIEISA-N 1 0 278.783 2.301 10 0 CEAERO CO[C@@H](C[NH3+])CC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000232110695 293522373 /nfs/dbraw/zinc/52/23/73/293522373.db2.gz LHEKRHKLLLQYOD-DVMIWYLISA-N 1 0 294.439 2.071 10 0 CEAERO Cc1sc(-c2ccco2)nc1C(=O)NCC[C@@H](C)[NH3+] ZINC000178637007 294065245 /nfs/dbraw/zinc/06/52/45/294065245.db2.gz UXRXKBXGEFLILR-MRVPVSSYSA-N 1 0 279.365 2.179 10 0 CEAERO CO[C@H](C)c1nsc(N[C@@H](C)[C@H]2CCC[NH2+]C2)n1 ZINC000261590130 294349923 /nfs/dbraw/zinc/34/99/23/294349923.db2.gz WVQWDJZGSGGBNO-AEJSXWLSSA-N 1 0 270.402 2.046 10 0 CEAERO COc1cccc(CN2CC[C@@H](C)C[C@@H]2C[NH3+])c1OC ZINC000234978694 295297812 /nfs/dbraw/zinc/29/78/12/295297812.db2.gz MZJPDTPTYQMPPA-TZMCWYRMSA-N 1 0 278.396 2.263 10 0 CEAERO C[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000190494470 297566297 /nfs/dbraw/zinc/56/62/97/297566297.db2.gz YCBDIBJSWGGLPG-BPUTZDHNSA-N 1 0 290.407 2.221 10 0 CEAERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]CC1(CO)COC1 ZINC000543472954 298310703 /nfs/dbraw/zinc/31/07/03/298310703.db2.gz QSNQQYVZJPMCCA-HNNXBMFYSA-N 1 0 275.392 2.299 10 0 CEAERO [NH3+]CCCOCCOc1cccc(Br)c1 ZINC000051865326 527181233 /nfs/dbraw/zinc/18/12/33/527181233.db2.gz ZJOLGDAGIIEELD-UHFFFAOYSA-N 1 0 274.158 2.193 10 0 CEAERO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CCc2ncnn2C1 ZINC000180598655 301893445 /nfs/dbraw/zinc/89/34/45/301893445.db2.gz RXVVYRLWKWJXPT-ZFWWWQNUSA-N 1 0 298.390 2.405 10 0 CEAERO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000154936974 302164493 /nfs/dbraw/zinc/16/44/93/302164493.db2.gz BVEYOEHHCUBGGV-ZOBUZTSGSA-N 1 0 272.392 2.342 10 0 CEAERO Cc1ccsc1[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000282152363 302312151 /nfs/dbraw/zinc/31/21/51/302312151.db2.gz CTHPWMYBCMOXPB-GARJFASQSA-N 1 0 252.383 2.374 10 0 CEAERO CC1CC(C(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000514855401 313058509 /nfs/dbraw/zinc/05/85/09/313058509.db2.gz AEBJRXJLQPKHCI-UHFFFAOYSA-N 1 0 252.402 2.461 10 0 CEAERO Cc1nc(CN[C@H](C)[C@H]2CCC[NH2+]C2)sc1C ZINC000571651932 314100377 /nfs/dbraw/zinc/10/03/77/314100377.db2.gz IRGAMXVIDDMNBW-PWSUYJOCSA-N 1 0 253.415 2.238 10 0 CEAERO Cc1ccc2c(CC(=O)N3C[C@H]([NH3+])[C@@H](C)C3)coc2c1 ZINC000572028198 314117284 /nfs/dbraw/zinc/11/72/84/314117284.db2.gz HMDTXXYLCWAMOL-FZMZJTMJSA-N 1 0 272.348 2.089 10 0 CEAERO [NH3+]CC[C@H](Nc1ncccc1C(F)(F)F)C(F)F ZINC000383396238 321847755 /nfs/dbraw/zinc/84/77/55/321847755.db2.gz QHEMPCZTBUJRBG-ZETCQYMHSA-N 1 0 269.217 2.495 10 0 CEAERO c1cnc2c(c1)nccc2N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000581874860 322427992 /nfs/dbraw/zinc/42/79/92/322427992.db2.gz KDCJDEKWNXCPLA-INIZCTEOSA-N 1 0 268.364 2.210 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000019999324 329073665 /nfs/dbraw/zinc/07/36/65/329073665.db2.gz TWMFPFLPLGNIDH-GHMZBOCLSA-N 1 0 279.727 2.439 10 0 CEAERO Cn1ccc([C@H]2[NH2+]C[C@@]23CCN(C(=O)OC(C)(C)C)C3)c1 ZINC000536958516 330383738 /nfs/dbraw/zinc/38/37/38/330383738.db2.gz GLUIVEHQRVZPJX-CZUORRHYSA-N 1 0 291.395 2.297 10 0 CEAERO CC(C)C[NH+](CC(C)C)[C@@H](C)C[C@](C)(NC1CC1)C(N)=O ZINC000068628998 519713776 /nfs/dbraw/zinc/71/37/76/519713776.db2.gz OMCCDBCMZBNSKU-YOEHRIQHSA-N 1 0 297.487 2.375 10 0 CEAERO CC(C)C[NH2+]Cc1ccoc1CN1CCOC[C@H]1C ZINC000052475799 519748140 /nfs/dbraw/zinc/74/81/40/519748140.db2.gz WKBXMBLAFOZOOI-CYBMUJFWSA-N 1 0 266.385 2.246 10 0 CEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc(N)c(F)c1 ZINC000054413445 519775436 /nfs/dbraw/zinc/77/54/36/519775436.db2.gz ZOCYBMRUVXJSDP-LBPRGKRZSA-N 1 0 281.375 2.114 10 0 CEAERO CCCC1CC[NH+](CC[C@H]([NH2+]C(C)C)C(=O)[O-])CC1 ZINC000062531116 519901601 /nfs/dbraw/zinc/90/16/01/519901601.db2.gz ZCPKDZZVNUIONW-AWEZNQCLSA-N 1 0 270.417 2.340 10 0 CEAERO CCCC1CC[NH+]([C@H](CN)C2CCOCC2)CC1 ZINC000052178065 519903541 /nfs/dbraw/zinc/90/35/41/519903541.db2.gz DCSZTBYCIDNCPE-OAHLLOKOSA-N 1 0 254.418 2.252 10 0 CEAERO CCC[NH2+]CC1(Cc2cscn2)CCOCC1 ZINC000061674269 519910845 /nfs/dbraw/zinc/91/08/45/519910845.db2.gz BUBRAJPTQDCDSW-UHFFFAOYSA-N 1 0 254.399 2.482 10 0 CEAERO CC[NH2+]C[C@@H]1CC[C@H](CN(CC(F)(F)F)C2CC2)O1 ZINC000052503615 519952781 /nfs/dbraw/zinc/95/27/81/519952781.db2.gz OBJKZCMLXHNRDA-NWDGAFQWSA-N 1 0 280.334 2.170 10 0 CEAERO CCCN[C@@H](CC[N@H+](C)C1CCCCC1)C(=O)OC ZINC000062443056 519993244 /nfs/dbraw/zinc/99/32/44/519993244.db2.gz QEYHLOMEJSSHOJ-AWEZNQCLSA-N 1 0 270.417 2.182 10 0 CEAERO CCC[NH2+][C@@H](CCN(CC)c1ccc(C)cc1)C(N)=O ZINC000062529105 519995376 /nfs/dbraw/zinc/99/53/76/519995376.db2.gz RNYNCFKDBTUGMP-HNNXBMFYSA-N 1 0 277.412 2.065 10 0 CEAERO CC[NH2+]Cc1ccc(N2C[C@H](C)OC(C)(C)C2)nc1 ZINC000051488678 519997724 /nfs/dbraw/zinc/99/77/24/519997724.db2.gz VEDQSXLDMGSGOJ-LBPRGKRZSA-N 1 0 263.385 2.195 10 0 CEAERO CCC[NH2+][C@@](C)(CCCCOc1ccccc1)C(N)=O ZINC000045517815 520034946 /nfs/dbraw/zinc/03/49/46/520034946.db2.gz JYMQUUSWVXTTLK-INIZCTEOSA-N 1 0 278.396 2.479 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)NCCc1ccc(Cl)cc1 ZINC000061273879 520064051 /nfs/dbraw/zinc/06/40/51/520064051.db2.gz JXLSGNGKZLENIX-NSHDSACASA-N 1 0 268.788 2.387 10 0 CEAERO CCCN[C@H](CC[N@H+](CC1CC1)C(C)C)C(=O)OC ZINC000062525849 520071380 /nfs/dbraw/zinc/07/13/80/520071380.db2.gz UQXVCJZLFBQEEO-CQSZACIVSA-N 1 0 270.417 2.038 10 0 CEAERO CC[NH2+][C@@H](CC[N@H+](CC)CC(CC)CC)C(=O)[O-] ZINC000062461686 520086443 /nfs/dbraw/zinc/08/64/43/520086443.db2.gz UUFCRPRXRCFKIF-ZDUSSCGKSA-N 1 0 258.406 2.197 10 0 CEAERO CCC[NH2+][C@](C)(CC[N@H+](C)C(C)(C)CC)C(=O)[O-] ZINC000069443280 520104531 /nfs/dbraw/zinc/10/45/31/520104531.db2.gz CRQBGZYENPPHJI-CQSZACIVSA-N 1 0 258.406 2.340 10 0 CEAERO CC[NH2+][C@@](CO)(CN(C)c1cc(C)cc(C)c1)C1CC1 ZINC000070339146 520153525 /nfs/dbraw/zinc/15/35/25/520153525.db2.gz WIIGWEKIESMQPP-QGZVFWFLSA-N 1 0 276.424 2.490 10 0 CEAERO CC[NH2+][C@H](CCOC)c1cc(OC)ccc1OC ZINC000055234716 520190981 /nfs/dbraw/zinc/19/09/81/520190981.db2.gz IRIOYAMYQXFQRC-CYBMUJFWSA-N 1 0 253.342 2.391 10 0 CEAERO CC1(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)CC[NH2+]CC1 ZINC000062839938 520220220 /nfs/dbraw/zinc/22/02/20/520220220.db2.gz LEIDHEQABRGKNB-KBPBESRZSA-N 1 0 264.413 2.415 10 0 CEAERO CCN[C@](C)(C[C@@H](C)[NH+](CC(C)C)CC(C)C)C(N)=O ZINC000068628653 520235901 /nfs/dbraw/zinc/23/59/01/520235901.db2.gz ZHWWQTVYXLZXTR-GDBMZVCRSA-N 1 0 285.476 2.233 10 0 CEAERO CCCC[N@H+](CC)CC[C@@H](NCC)C(=O)OCC ZINC000062438227 520474518 /nfs/dbraw/zinc/47/45/18/520474518.db2.gz QXQJUVCGIVSCNL-CYBMUJFWSA-N 1 0 258.406 2.040 10 0 CEAERO CCO[C@H](C[NH3+])CCN(C)c1cc(C)cc(C)c1 ZINC000062741218 520515450 /nfs/dbraw/zinc/51/54/50/520515450.db2.gz ARIGJTCVJNGNRF-HNNXBMFYSA-N 1 0 250.386 2.494 10 0 CEAERO CCC[C@@]1(C(=O)N(C)Cc2c(C)noc2C)CC[NH2+]C1 ZINC000062895980 520941187 /nfs/dbraw/zinc/94/11/87/520941187.db2.gz IJCQWYJVFSYMQH-OAHLLOKOSA-N 1 0 279.384 2.030 10 0 CEAERO CCCC[C@@](CC)(NCC[NH+](CC)CC)C(=O)OC ZINC000069381831 521122443 /nfs/dbraw/zinc/12/24/43/521122443.db2.gz OGIGMAAFHBAWQD-OAHLLOKOSA-N 1 0 272.433 2.430 10 0 CEAERO CCOC(=O)[C@H](CC[N@H+](CC)CC(C)C)NC(C)C ZINC000062445094 521242777 /nfs/dbraw/zinc/24/27/77/521242777.db2.gz ABQFMJSBNZWGLK-AWEZNQCLSA-N 1 0 272.433 2.284 10 0 CEAERO CCCc1nc(N2CCN(C)CC2)sc1C[NH2+]C(C)C ZINC000054995340 521532448 /nfs/dbraw/zinc/53/24/48/521532448.db2.gz SMUSYFDAKNJYER-UHFFFAOYSA-N 1 0 296.484 2.345 10 0 CEAERO CCc1ccccc1C[NH2+]CC(C)(C)N1CCOCC1 ZINC000052200314 521840202 /nfs/dbraw/zinc/84/02/02/521840202.db2.gz UXBSRVBQMDOVIU-UHFFFAOYSA-N 1 0 276.424 2.449 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N(C)CCOc1cc(C)cc(C)c1 ZINC000061316985 521931921 /nfs/dbraw/zinc/93/19/21/521931921.db2.gz ZKZNKHCDDZQGFA-UHFFFAOYSA-N 1 0 278.396 2.139 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N[C@H](C)c1cc(F)ccc1OC ZINC000061316410 521939207 /nfs/dbraw/zinc/93/92/07/521939207.db2.gz UQMCSKBIRMXLEA-SECBINFHSA-N 1 0 268.332 2.010 10 0 CEAERO C[NH2+]CCCc1cnn(-c2ccc(F)cc2F)c1 ZINC000054670191 522000680 /nfs/dbraw/zinc/00/06/80/522000680.db2.gz IFGRYKBIJRRIAS-UHFFFAOYSA-N 1 0 251.280 2.303 10 0 CEAERO C[NH2+]C[C@H](Cc1cnn(C)c1)Cc1ccc(F)cc1 ZINC000052974766 522073740 /nfs/dbraw/zinc/07/37/40/522073740.db2.gz ORQUBQJSOWNSTP-ZDUSSCGKSA-N 1 0 261.344 2.180 10 0 CEAERO C[NH2+]Cc1nnc(-c2cccc(Br)c2)o1 ZINC000050615355 522154987 /nfs/dbraw/zinc/15/49/87/522154987.db2.gz BCZXWMPFBXVSOS-UHFFFAOYSA-N 1 0 268.114 2.219 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(F)cc1OCc1nc(C)no1 ZINC000062746219 522332154 /nfs/dbraw/zinc/33/21/54/522332154.db2.gz IXKAZXSRCVQBJQ-QMMMGPOBSA-N 1 0 265.288 2.377 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1ncnc2[nH]cnc21)C(F)(F)F ZINC000051036390 522339961 /nfs/dbraw/zinc/33/99/61/522339961.db2.gz VLJKBNYTAHWMLD-CAHLUQPWSA-N 1 0 291.302 2.113 10 0 CEAERO CCc1nc(N2CCC[C@@H]2C[NH+](C)C)sc1C=O ZINC000061655550 522385966 /nfs/dbraw/zinc/38/59/66/522385966.db2.gz IENKOUHYVXEOMQ-SNVBAGLBSA-N 1 0 267.398 2.048 10 0 CEAERO C[NH2+][C@H](C)c1ccc(F)cc1OCCC(=O)NC(C)C ZINC000062746306 522446417 /nfs/dbraw/zinc/44/64/17/522446417.db2.gz KKTLBUJGWPZYMO-LLVKDONJSA-N 1 0 282.359 2.400 10 0 CEAERO C[C@H](CC[NH2+]CC1=CCCOC1)NC(=O)OC(C)(C)C ZINC000178165034 533940655 /nfs/dbraw/zinc/94/06/55/533940655.db2.gz ZHIFVQGRJZEVRK-GFCCVEGCSA-N 1 0 284.400 2.226 10 0 CEAERO CC[NH2+]C[C@H]1CCCCN1c1nccc(C(F)(F)F)n1 ZINC000081587711 517668715 /nfs/dbraw/zinc/66/87/15/517668715.db2.gz CBLMJMHGJKXQFY-SNVBAGLBSA-N 1 0 288.317 2.464 10 0 CEAERO Brc1cnn(CCC[C@H]2CCC[NH2+]2)c1 ZINC000052764877 518235898 /nfs/dbraw/zinc/23/58/98/518235898.db2.gz MDXNOVVCWMPMIQ-SNVBAGLBSA-N 1 0 258.163 2.178 10 0 CEAERO CC(=O)c1ccccc1OCCN1[C@H](C)CCC[C@@H]1C[NH3+] ZINC000070155248 518476387 /nfs/dbraw/zinc/47/63/87/518476387.db2.gz VANRAVNODDMIHI-UKRRQHHQSA-N 1 0 290.407 2.470 10 0 CEAERO CC(=O)c1cnc(N2CCN(C(C)(C)C)CC2)s1 ZINC000054863530 518480371 /nfs/dbraw/zinc/48/03/71/518480371.db2.gz DEXUZFQVXSAZLM-UHFFFAOYSA-N 1 0 267.398 2.266 10 0 CEAERO CC(C)(C)[NH2+]C[C@@H]1CCN(Cc2nccs2)C1 ZINC000053032255 518760445 /nfs/dbraw/zinc/76/04/45/518760445.db2.gz NSMWJUUDVQNYSL-NSHDSACASA-N 1 0 253.415 2.353 10 0 CEAERO CC(C)(C)[NH2+]C[C@]1(Cc2cscn2)CCOC1 ZINC000054665777 518763293 /nfs/dbraw/zinc/76/32/93/518763293.db2.gz AYAFWRXKCVLLTE-CYBMUJFWSA-N 1 0 254.399 2.480 10 0 CEAERO CC(C)(C)[NH2+]Cc1nccn1CC(=O)Nc1ccccc1 ZINC000051015469 518768093 /nfs/dbraw/zinc/76/80/93/518768093.db2.gz YQPZLGAJXVEJSJ-UHFFFAOYSA-N 1 0 286.379 2.410 10 0 CEAERO CC(C)(C[NH3+])c1ccc(NC(=O)[C@@H]2CCCCO2)cc1 ZINC000050958428 519233159 /nfs/dbraw/zinc/23/31/59/519233159.db2.gz LSVFNEFALXWHRZ-AWEZNQCLSA-N 1 0 276.380 2.431 10 0 CEAERO CC(C)(C[NH3+])c1ccc(NC(=O)C2CCOCC2)cc1 ZINC000061670912 519233806 /nfs/dbraw/zinc/23/38/06/519233806.db2.gz XILPODBIVRCJIK-UHFFFAOYSA-N 1 0 276.380 2.288 10 0 CEAERO CC(C)C[C@H](C[NH3+])[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000052946890 519347757 /nfs/dbraw/zinc/34/77/57/519347757.db2.gz QQHBVQXXMCBNLR-YPMHNXCESA-N 1 0 267.394 2.179 10 0 CEAERO CC(C)N(C(=O)C1CCOCC1)c1ccc(C[NH3+])cc1 ZINC000061670909 519551529 /nfs/dbraw/zinc/55/15/29/519551529.db2.gz REALGQMLNRZAAC-UHFFFAOYSA-N 1 0 276.380 2.313 10 0 CEAERO CC(C)CC1(C(=O)N[C@H]2CCC[C@H]2C[NH3+])CCC1 ZINC000157691145 519623868 /nfs/dbraw/zinc/62/38/68/519623868.db2.gz YVJBHXBCISOPIT-STQMWFEESA-N 1 0 252.402 2.446 10 0 CEAERO CC(C)N(CC[NH3+])C(=O)[C@H]1CCCc2ccccc21 ZINC000054668351 519646037 /nfs/dbraw/zinc/64/60/37/519646037.db2.gz MEBCGIRCASRVDT-HNNXBMFYSA-N 1 0 260.381 2.302 10 0 CEAERO CC(C)[NH+](CCNC(=O)c1cccc(F)c1N)C(C)C ZINC000054190468 519647945 /nfs/dbraw/zinc/64/79/45/519647945.db2.gz KVHQRFVCKJZGTM-UHFFFAOYSA-N 1 0 281.375 2.257 10 0 CEAERO CC(C)N(Cc1ccccn1)C(=O)C1(C)CC[NH2+]CC1 ZINC000062840730 519658958 /nfs/dbraw/zinc/65/89/58/519658958.db2.gz RTAMIERIQKQSMO-UHFFFAOYSA-N 1 0 275.396 2.208 10 0 CEAERO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc3c[nH]nc3c2)C1 ZINC000061670491 519688767 /nfs/dbraw/zinc/68/87/67/519688767.db2.gz OFCMFZRAQBUCQT-GFCCVEGCSA-N 1 0 286.379 2.023 10 0 CEAERO CC(C)[NH2+]CCN(C)c1ccc(Br)cn1 ZINC000053706884 519721476 /nfs/dbraw/zinc/72/14/76/519721476.db2.gz NJEDEQCIRHOEQQ-UHFFFAOYSA-N 1 0 272.190 2.278 10 0 CEAERO CC(C)[NH2+]CC[C@H](C)n1nnc(-c2ccccc2)n1 ZINC000052574717 519722170 /nfs/dbraw/zinc/72/21/70/519722170.db2.gz QOEZRQXRVSUJQW-LBPRGKRZSA-N 1 0 259.357 2.289 10 0 CEAERO CC(C)C[NH+]1CCN(C[C@@H]2CNc3ccccc3O2)CC1 ZINC000055083630 519726568 /nfs/dbraw/zinc/72/65/68/519726568.db2.gz DGICPZJYLIPNOP-HNNXBMFYSA-N 1 0 289.423 2.133 10 0 CEAERO CC(C)[NH2+]Cc1nnnn1[C@@H]1CCCc2sccc21 ZINC000061367317 519730310 /nfs/dbraw/zinc/73/03/10/519730310.db2.gz IRIJAACXIIHXBV-LLVKDONJSA-N 1 0 277.397 2.158 10 0 CEAERO CC(C)[NH2+][C@@H](CC[N@H+](C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000062456666 519733935 /nfs/dbraw/zinc/73/39/35/519733935.db2.gz JUIZLCUGAOALBZ-RYUDHWBXSA-N 1 0 258.406 2.194 10 0 CEAERO CC(C)N[C@](C[N@H+](C)C1CCCCCC1)(C(N)=O)C1CC1 ZINC000069100546 519740059 /nfs/dbraw/zinc/74/00/59/519740059.db2.gz UDFUUXWBGLHQLR-KRWDZBQOSA-N 1 0 295.471 2.273 10 0 CEAERO CC(C)[NH2+][C@](C)(C[C@@H](C)n1cnc2ccccc21)C(N)=O ZINC000068648953 519740170 /nfs/dbraw/zinc/74/01/70/519740170.db2.gz NYBUAJKEDZIMSG-MLGOLLRUSA-N 1 0 288.395 2.229 10 0 CEAERO CC(C)C[NH2+]C[C@@H]1CC[C@H](Cn2nnc3ccccc32)O1 ZINC000052576717 519745416 /nfs/dbraw/zinc/74/54/16/519745416.db2.gz GSDPMALNUGWHNA-UONOGXRCSA-N 1 0 288.395 2.225 10 0 CEAERO CC(C)C[NH2+]C[C@H]1CCCN1CCOCC(F)(F)F ZINC000053650154 519746063 /nfs/dbraw/zinc/74/60/63/519746063.db2.gz UWCOYBBRYMEUBV-GFCCVEGCSA-N 1 0 282.350 2.275 10 0 CEAERO CC(C)C[NH2+]C[C@H]1CCCN1c1nccn(C(C)C)c1=O ZINC000061774870 519746081 /nfs/dbraw/zinc/74/60/81/519746081.db2.gz YNEVXEVHIYLHDU-CQSZACIVSA-N 1 0 292.427 2.039 10 0 CEAERO CC(C)C[NH2+]Cc1ccc(OCC(=O)NC(C)C)cc1 ZINC000062728883 519747421 /nfs/dbraw/zinc/74/74/21/519747421.db2.gz IKXXJEPTUMKTDM-UHFFFAOYSA-N 1 0 278.396 2.336 10 0 CEAERO CC(C)C[NH2+]Cc1ccoc1CN1CCOC[C@@H]1C ZINC000052475800 519747933 /nfs/dbraw/zinc/74/79/33/519747933.db2.gz WKBXMBLAFOZOOI-ZDUSSCGKSA-N 1 0 266.385 2.246 10 0 CEAERO CC(C)C[NH2+]Cc1nnnn1-c1ccc(Cl)cc1 ZINC000054744174 519748828 /nfs/dbraw/zinc/74/88/28/519748828.db2.gz FRYVRUNBZGKJNF-UHFFFAOYSA-N 1 0 265.748 2.061 10 0 CEAERO CC(C)Oc1cccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000061666822 519782471 /nfs/dbraw/zinc/78/24/71/519782471.db2.gz CTRRQFISQVUPQQ-YIONKMFJSA-N 1 0 288.391 2.487 10 0 CEAERO CC(C)[C@@H](CN(C)C)[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000049197083 519793835 /nfs/dbraw/zinc/79/38/35/519793835.db2.gz PHOMLDXZHLNKLT-CQSZACIVSA-N 1 0 278.396 2.134 10 0 CEAERO CC(C)[C@@H]([NH3+])CCN(C)c1nnc(C(F)(F)F)s1 ZINC000160392860 519796441 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CC(C)c1csc(NC(=O)[C@](C)([NH3+])C2CC2)n1 ZINC000049237334 519856227 /nfs/dbraw/zinc/85/62/27/519856227.db2.gz IFZGLCJNWNOABK-GFCCVEGCSA-N 1 0 253.371 2.332 10 0 CEAERO CCCNC(=O)CCN1[C@@H]2CCC[C@H]1CC([NH2+]CCC)C2 ZINC000054602575 519870817 /nfs/dbraw/zinc/87/08/17/519870817.db2.gz VMBXTSFAGUHQMV-MQVJKMGUSA-N 1 0 295.471 2.288 10 0 CEAERO CCCNC(=O)[C@@H](C[NH3+])Cc1cccc(OCCC)c1 ZINC000052920853 519889557 /nfs/dbraw/zinc/88/95/57/519889557.db2.gz GAXAVMQBBVTLJK-CQSZACIVSA-N 1 0 278.396 2.119 10 0 CEAERO CCCC1CCN(C(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)CC1 ZINC000050906274 519900464 /nfs/dbraw/zinc/90/04/64/519900464.db2.gz ZZBNDHAZLRDQMK-INIZCTEOSA-N 1 0 290.407 2.301 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)NCc1ccc(C)c(F)c1 ZINC000061288990 519905008 /nfs/dbraw/zinc/90/50/08/519905008.db2.gz CTCDCDZPFKNUDH-UHFFFAOYSA-N 1 0 252.333 2.138 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000061292012 519906248 /nfs/dbraw/zinc/90/62/48/519906248.db2.gz FRDGBAJIYBDUIN-LLVKDONJSA-N 1 0 292.379 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CC[NH2+]CCCc1c(C)nc(-c2ncccn2)nc1C ZINC000054837567 519920879 /nfs/dbraw/zinc/92/08/79/519920879.db2.gz WLQWVUJCTHWCIJ-UHFFFAOYSA-N 1 0 271.368 2.093 10 0 CEAERO CCC[NH2+]C[C@@H]1OCCN(C)[C@@H]1c1ccccc1C ZINC000070286091 519926238 /nfs/dbraw/zinc/92/62/38/519926238.db2.gz OFQQJENZYXAIGK-JKSUJKDBSA-N 1 0 262.397 2.366 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N(Cc1cccs1)C1CC1 ZINC000061236027 519932885 /nfs/dbraw/zinc/93/28/85/519932885.db2.gz FXYSPGGEYRQGQG-LLVKDONJSA-N 1 0 266.410 2.485 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)NCCc1ccc(Cl)cc1 ZINC000061267408 519936654 /nfs/dbraw/zinc/93/66/54/519936654.db2.gz LNUAXNRHVQJDJH-LLVKDONJSA-N 1 0 268.788 2.244 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N[C@@H](C)c1cc(C)oc1C ZINC000061267999 519937713 /nfs/dbraw/zinc/93/77/13/519937713.db2.gz KHDBTSHJRISYCH-KOLCDFICSA-N 1 0 252.358 2.319 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000061233741 519939395 /nfs/dbraw/zinc/93/93/95/519939395.db2.gz XLTJOPJISLYINY-VWYCJHECSA-N 1 0 280.334 2.469 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccc(N(C)C)cc1C ZINC000061230965 519940334 /nfs/dbraw/zinc/94/03/34/519940334.db2.gz AAAYRHFNDUNLGP-GFCCVEGCSA-N 1 0 263.385 2.245 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccc(NC(=O)OCC)cc1 ZINC000061232181 519940815 /nfs/dbraw/zinc/94/08/15/519940815.db2.gz CKFWTCXKWWQWHD-LLVKDONJSA-N 1 0 293.367 2.439 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1cccc(OC(F)F)c1 ZINC000061232110 519942029 /nfs/dbraw/zinc/94/20/29/519942029.db2.gz IAWNQSRQLRRPGA-SECBINFHSA-N 1 0 272.295 2.472 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccccc1-n1ccnc1 ZINC000061230783 519943220 /nfs/dbraw/zinc/94/32/20/519943220.db2.gz MAYQTWGPGXRUPY-GFCCVEGCSA-N 1 0 272.352 2.056 10 0 CEAERO CC[NH2+]C[C@@H]1CC[C@@H](CN(C)c2ccccc2OC)O1 ZINC000052513175 519950531 /nfs/dbraw/zinc/95/05/31/519950531.db2.gz AJWAWUVMRUKYKS-KBPBESRZSA-N 1 0 278.396 2.289 10 0 CEAERO CC[NH2+]C[C@@H]1CC[C@@H](CN(CC(F)(F)F)C(C)C)O1 ZINC000052502885 519950841 /nfs/dbraw/zinc/95/08/41/519950841.db2.gz 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CCC[NH2+][C@@](CS[C@@H](C)CC)(C(N)=O)C1CC1 ZINC000069185106 520057898 /nfs/dbraw/zinc/05/78/98/520057898.db2.gz ZSOYCXCEXQIOFZ-GXFFZTMASA-N 1 0 258.431 2.152 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N(C)CCOc1ccccc1F ZINC000061271880 520059568 /nfs/dbraw/zinc/05/95/68/520059568.db2.gz RQNYKHHVWYEYOO-LBPRGKRZSA-N 1 0 282.359 2.051 10 0 CEAERO CCC[NH2+][C@H](C)c1ccccc1-n1cc(C(N)=O)cn1 ZINC000070329069 520065704 /nfs/dbraw/zinc/06/57/04/520065704.db2.gz PNQPFDSFTUAJJB-LLVKDONJSA-N 1 0 272.352 2.032 10 0 CEAERO CCN(C(=O)c1cc(F)ccc1C)C1CC[NH2+]CC1 ZINC000062666729 520068710 /nfs/dbraw/zinc/06/87/10/520068710.db2.gz PRRINAOCMOIZIB-UHFFFAOYSA-N 1 0 264.344 2.348 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(F)cc1O[C@H](C)C(=O)NC ZINC000062747036 520076894 /nfs/dbraw/zinc/07/68/94/520076894.db2.gz QFHGBCPJMORMHK-VHSXEESVSA-N 1 0 268.332 2.010 10 0 CEAERO CC[NH2+][C@@H](C)c1cccc(OCCC(=O)OC)c1 ZINC000069317110 520078711 /nfs/dbraw/zinc/07/87/11/520078711.db2.gz VVHVAHUIHFFUED-NSHDSACASA-N 1 0 251.326 2.299 10 0 CEAERO CC[NH2+][C@@H](C)c1sc(N2CCN(C3CC3)CC2)nc1C ZINC000054909490 520082632 /nfs/dbraw/zinc/08/26/32/520082632.db2.gz BBQSRIKQIYSDIZ-NSHDSACASA-N 1 0 294.468 2.406 10 0 CEAERO CCC[NH2+][C@H](Cc1ccccc1Cl)CS(C)(=O)=O ZINC000052789210 520086661 /nfs/dbraw/zinc/08/66/61/520086661.db2.gz DOEBWZISFVGILX-GFCCVEGCSA-N 1 0 289.828 2.295 10 0 CEAERO CCC[NH2+][C@H](CSCc1ccccc1C)C(N)=O ZINC000054964761 520087507 /nfs/dbraw/zinc/08/75/07/520087507.db2.gz ABBXJQCMDYJZEJ-CYBMUJFWSA-N 1 0 266.410 2.082 10 0 CEAERO CCN(C(=O)c1ccc(NN)[nH+]c1)c1ccc(C)cc1 ZINC000051114006 520088524 /nfs/dbraw/zinc/08/85/24/520088524.db2.gz CZCRXVRKIDZZMI-UHFFFAOYSA-N 1 0 270.336 2.342 10 0 CEAERO CCC[NH2+][C@H](c1ccc2c(c1)CC(=O)N2)[C@@H]1CCOC1 ZINC000048625677 520090573 /nfs/dbraw/zinc/09/05/73/520090573.db2.gz DLBJQEOZMYHCGL-MLGOLLRUSA-N 1 0 274.364 2.258 10 0 CEAERO CCC[NH2+][C@H](c1ccc2c(c1)CCCO2)[C@@H]1COCCO1 ZINC000055301024 520091313 /nfs/dbraw/zinc/09/13/13/520091313.db2.gz COJFPXGILKQQAP-DLBZAZTESA-N 1 0 291.391 2.468 10 0 CEAERO CCC[NH2+][C@H]1CCCC[C@H]1CN(C)Cc1cnn(C)c1 ZINC000053859427 520092276 /nfs/dbraw/zinc/09/22/76/520092276.db2.gz HPDFHUJBJGPGMG-HOTGVXAUSA-N 1 0 278.444 2.410 10 0 CEAERO CCC[NH2+][C@H]1CCN([C@@H](C)Cc2ccccc2)C1=O ZINC000062187443 520094949 /nfs/dbraw/zinc/09/49/49/520094949.db2.gz MMCFQMQRBWWOKE-ZFWWWQNUSA-N 1 0 260.381 2.218 10 0 CEAERO CCN(C(=O)c1ccc2ncccc2c1)C1CC[NH2+]CC1 ZINC000061416105 520095706 /nfs/dbraw/zinc/09/57/06/520095706.db2.gz IMIIJRKUMMDQGN-UHFFFAOYSA-N 1 0 283.375 2.449 10 0 CEAERO CCC[NH2+][C@H]1CCc2c1cccc2O[C@H](C)C(=O)NC ZINC000062800031 520097620 /nfs/dbraw/zinc/09/76/20/520097620.db2.gz MFTBEPNEXSOMSA-RISCZKNCSA-N 1 0 276.380 2.187 10 0 CEAERO CC[NH2+][C@@H](CN1CCN(c2ccccc2)CC1)C1CC1 ZINC000069073594 520100379 /nfs/dbraw/zinc/10/03/79/520100379.db2.gz KODOXOPBSJCBGF-KRWDZBQOSA-N 1 0 273.424 2.197 10 0 CEAERO CC[NH2+][C@@H](c1ccc(Cl)cc1)[C@@H]1COCCO1 ZINC000055299893 520109429 /nfs/dbraw/zinc/10/94/29/520109429.db2.gz FEGVLAJPLFEMAP-STQMWFEESA-N 1 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520196543 /nfs/dbraw/zinc/19/65/43/520196543.db2.gz OPJDPGYHZDPHSX-CQSZACIVSA-N 1 0 291.395 2.022 10 0 CEAERO CC[NH2+][C@H](Cc1ccccc1OC)c1cncnc1 ZINC000052887290 520203031 /nfs/dbraw/zinc/20/30/31/520203031.db2.gz IIMWLBHFHXLIQL-CQSZACIVSA-N 1 0 257.337 2.379 10 0 CEAERO CC[NH2+][C@H]1CCC2(C[C@@H]1N1CCC(C)(C)CC1)OCCO2 ZINC000061819713 520214387 /nfs/dbraw/zinc/21/43/87/520214387.db2.gz ZNRMDMFAERTPGD-GJZGRUSLSA-N 1 0 296.455 2.382 10 0 CEAERO CC[NH2+][C@H]1CCN([C@H]2CCCc3ccccc32)C1=O ZINC000051632015 520215190 /nfs/dbraw/zinc/21/51/90/520215190.db2.gz JFMDRXOQBSQKAL-GJZGRUSLSA-N 1 0 258.365 2.274 10 0 CEAERO CC[N@H+](C)CCNc1cc(C(N)=S)c2ccccc2n1 ZINC000068799414 520241781 /nfs/dbraw/zinc/24/17/81/520241781.db2.gz CRAIGZXJZKFPKW-UHFFFAOYSA-N 1 0 288.420 2.233 10 0 CEAERO CCN[C@](C[N@H+](C)CC1CCCC1)(C(=O)OC)C1CC1 ZINC000069233249 520242246 /nfs/dbraw/zinc/24/22/46/520242246.db2.gz QAZUWZKYYJYAJX-INIZCTEOSA-N 1 0 282.428 2.040 10 0 CEAERO CCN[C@](C[N@@H+]1CCCC(C)(C)C1)(C(=O)OCC)C1CC1 ZINC000069516681 520247996 /nfs/dbraw/zinc/24/79/96/520247996.db2.gz RZSYXFZNDBKHAH-KRWDZBQOSA-N 1 0 296.455 2.430 10 0 CEAERO CCCCC[C@H](C[NH2+]CC)[C@H]1CCS(=O)(=O)C1 ZINC000052950337 520311694 /nfs/dbraw/zinc/31/16/94/520311694.db2.gz DYXHKRDOVMTUCV-OLZOCXBDSA-N 1 0 261.431 2.227 10 0 CEAERO CCO[C@@H]1CCCN(CC[NH2+]C(C2CC2)C2CC2)C1 ZINC000053446696 520319555 /nfs/dbraw/zinc/31/95/55/520319555.db2.gz NHDKGUYQZKSOPU-OAHLLOKOSA-N 1 0 266.429 2.266 10 0 CEAERO CCNc1ccccc1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000050791465 520338090 /nfs/dbraw/zinc/33/80/90/520338090.db2.gz NGTDRIYOKLGQPE-UHFFFAOYSA-N 1 0 287.407 2.286 10 0 CEAERO CCNc1ccccc1C(=O)N[C@@H](C)C[NH+]1CCCC1 ZINC000050787868 520339342 /nfs/dbraw/zinc/33/93/42/520339342.db2.gz POMCHARLNCBQFR-ZDUSSCGKSA-N 1 0 275.396 2.333 10 0 CEAERO CCCOc1ccc(C[NH2+]C)c(OCCCC(=O)NC)c1 ZINC000068816442 520363568 /nfs/dbraw/zinc/36/35/68/520363568.db2.gz YXRGJHPTWGNXJL-UHFFFAOYSA-N 1 0 294.395 2.100 10 0 CEAERO CCCOc1ccc(C[NH2+]C(C)(C)C)c(OCC(N)=O)c1 ZINC000062727379 520364371 /nfs/dbraw/zinc/36/43/71/520364371.db2.gz OQNFUXVTMVRVRK-UHFFFAOYSA-N 1 0 294.395 2.228 10 0 CEAERO CCCOc1ccc([C@@H]2[C@H]([NH3+])CC(=O)N2CCC)cc1 ZINC000062209641 520425082 /nfs/dbraw/zinc/42/50/82/520425082.db2.gz BAMITNAGNTXWAY-GDBMZVCRSA-N 1 0 276.380 2.486 10 0 CEAERO CCCOc1cccc(C[C@@H](C[NH3+])C(=O)N(CC)CC)c1 ZINC000052920865 520456147 /nfs/dbraw/zinc/45/61/47/520456147.db2.gz WRGVXGURXNPNKW-HNNXBMFYSA-N 1 0 292.423 2.461 10 0 CEAERO CCCOc1cccc([C@H](C[NH3+])N2CCOC[C@@H]2C)c1 ZINC000052920991 520467008 /nfs/dbraw/zinc/46/70/08/520467008.db2.gz ZSFBMGNEQCXRTH-BBRMVZONSA-N 1 0 278.396 2.196 10 0 CEAERO CCCC[N@H+](CCO)Cc1cccnc1NCCC ZINC000052725546 520523727 /nfs/dbraw/zinc/52/37/27/520523727.db2.gz HDASIWWKZXTFRM-UHFFFAOYSA-N 1 0 265.401 2.498 10 0 CEAERO CCCCN(CCO)c1ccc(F)cc1C[NH2+]CCOC ZINC000062737224 520527818 /nfs/dbraw/zinc/52/78/18/520527818.db2.gz WKXOMPSDGFIWDY-UHFFFAOYSA-N 1 0 298.402 2.161 10 0 CEAERO CC1(C)Cc2cccc(OCC[NH2+]C[C@@H]3CCOC3)c2O1 ZINC000053565259 520584244 /nfs/dbraw/zinc/58/42/44/520584244.db2.gz MVEAETPTEDJSMV-ZDUSSCGKSA-N 1 0 291.391 2.405 10 0 CEAERO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cccnc1NC ZINC000050721478 520635265 /nfs/dbraw/zinc/63/52/65/520635265.db2.gz JOWFOSPVINGJSA-ZDUSSCGKSA-N 1 0 292.427 2.364 10 0 CEAERO CCC[C@@H](C)NC(=O)[C@H](C)[NH2+][C@@H](CC(C)C)CN(C)C ZINC000049555878 520662599 /nfs/dbraw/zinc/66/25/99/520662599.db2.gz CRLVCNXQMWRECB-ILXRZTDVSA-N 1 0 285.476 2.246 10 0 CEAERO CCOC(=O)CC[NH2+]Cc1c(C)nc2sc(C)cn12 ZINC000045687496 520687288 /nfs/dbraw/zinc/68/72/88/520687288.db2.gz ZLCACURUIFRJEB-UHFFFAOYSA-N 1 0 281.381 2.055 10 0 CEAERO CCOC(=O)CC[NH2+]Cc1cccc2cnccc21 ZINC000061125588 520690222 /nfs/dbraw/zinc/69/02/22/520690222.db2.gz GMXBFFZUXKJSMB-UHFFFAOYSA-N 1 0 258.321 2.278 10 0 CEAERO CCC[C@@H](CCS(=O)(=O)CC)C[NH2+]CC(C)C ZINC000052970882 520702886 /nfs/dbraw/zinc/70/28/86/520702886.db2.gz LEQMSCKDJUSSDL-ZDUSSCGKSA-N 1 0 263.447 2.473 10 0 CEAERO CCC[C@@H](C[NH2+]CC)Cc1nnnn1-c1ccccc1 ZINC000052969746 520709403 /nfs/dbraw/zinc/70/94/03/520709403.db2.gz GGLRJWPVRQKIBR-CYBMUJFWSA-N 1 0 273.384 2.231 10 0 CEAERO CCC[C@@H]1CN(Cc2cccc(OC)n2)[C@H](C2CC2)C[NH2+]1 ZINC000068701067 520841328 /nfs/dbraw/zinc/84/13/28/520841328.db2.gz OCQGCHFCZXSJAA-ZBFHGGJFSA-N 1 0 289.423 2.443 10 0 CEAERO CC[NH+](CC)[C@@H]1CCN(c2ccc(CO)cc2F)C1 ZINC000062966414 520848936 /nfs/dbraw/zinc/84/89/36/520848936.db2.gz MPZCHILTYBAKGP-CYBMUJFWSA-N 1 0 266.360 2.239 10 0 CEAERO CC[NH+](CC)[C@@H]1CCN(c2ncc(C(C)=O)s2)C1 ZINC000062975051 520849062 /nfs/dbraw/zinc/84/90/62/520849062.db2.gz YTAGTTYGIACJSS-LLVKDONJSA-N 1 0 267.398 2.266 10 0 CEAERO CCOC(=O)C[C@@]1([NH+]2CCOCC2)CCC[C@@H](C)[C@@H]1C ZINC000068633936 520861454 /nfs/dbraw/zinc/86/14/54/520861454.db2.gz JYBHYDMZCQJDOH-YCPHGPKFSA-N 1 0 283.412 2.467 10 0 CEAERO CCC[C@@]1(C(=O)NCc2ccsc2)CC[NH2+]C1 ZINC000063154697 520942568 /nfs/dbraw/zinc/94/25/68/520942568.db2.gz XLQGFFIVDMQDHV-CYBMUJFWSA-N 1 0 252.383 2.144 10 0 CEAERO CCC[C@@]1(C(=O)Nc2cc(C)ccn2)CCC[NH2+]C1 ZINC000062853015 520944272 /nfs/dbraw/zinc/94/42/72/520944272.db2.gz JCUYFPMFGQPNMP-OAHLLOKOSA-N 1 0 261.369 2.498 10 0 CEAERO CCOc1ccc(CN(C)C(=O)C(C)(C)[NH2+]C)cc1 ZINC000061316823 520957206 /nfs/dbraw/zinc/95/72/06/520957206.db2.gz UMCHKVBTBVEVHQ-UHFFFAOYSA-N 1 0 264.369 2.042 10 0 CEAERO CCCC[C@@H](CC)COCC[C@@H]([NH2+]C(C)C)C(N)=O ZINC000062543074 521034561 /nfs/dbraw/zinc/03/45/61/521034561.db2.gz MDWWFHYAAKXHTH-ZIAGYGMSSA-N 1 0 272.433 2.461 10 0 CEAERO CCCC[C@@H](CC)C[C@]1(C[NH3+])CCS(=O)(=O)C1 ZINC000054635225 521038023 /nfs/dbraw/zinc/03/80/23/521038023.db2.gz NQUBMNKMVMYKGT-OLZOCXBDSA-N 1 0 261.431 2.357 10 0 CEAERO Ic1ccc(C[C@H]2CC[NH2+]C2)cc1 ZINC000157310021 534539894 /nfs/dbraw/zinc/53/98/94/534539894.db2.gz VFSRSAITYPSBRB-SNVBAGLBSA-N 1 0 287.144 2.443 10 0 CEAERO CCN(CCO)c1nc2ccccn2c1C[NH2+]C(C)(C)C ZINC000062736445 521125542 /nfs/dbraw/zinc/12/55/42/521125542.db2.gz NNQFNUSGCNBXMB-UHFFFAOYSA-N 1 0 290.411 2.041 10 0 CEAERO CCN(CCOC)[C@@H](C[NH2+]C1CC1)c1ccccc1 ZINC000052542816 521137966 /nfs/dbraw/zinc/13/79/66/521137966.db2.gz XAJDDVSAOPQGNZ-INIZCTEOSA-N 1 0 262.397 2.448 10 0 CEAERO CCOC(=O)[C@@](C)(C[C@@H](C)[NH+](CC1CC1)CC1CC1)NC ZINC000068648015 521146801 /nfs/dbraw/zinc/14/68/01/521146801.db2.gz FVQFYWBQVBRIQN-CXAGYDPISA-N 1 0 296.455 2.428 10 0 CEAERO CCOC(=O)[C@@](C)(C[C@@H](C)[N@H+](C)CC(C)C)NC1CC1 ZINC000068622734 521146979 /nfs/dbraw/zinc/14/69/79/521146979.db2.gz NIQFCUOBQVONKA-CZUORRHYSA-N 1 0 284.444 2.427 10 0 CEAERO CCN(CC[C@H]([NH2+]C)C(N)=O)c1cccc2ccccc21 ZINC000062437877 521159939 /nfs/dbraw/zinc/15/99/39/521159939.db2.gz HTPWVIFOVXGVIP-HNNXBMFYSA-N 1 0 285.391 2.130 10 0 CEAERO CCOC(=O)[C@@](C[N@H+](C)[C@@H](C)C(C)(C)C)(NC)C1CC1 ZINC000069101073 521164260 /nfs/dbraw/zinc/16/42/60/521164260.db2.gz VODRCJMSVRDQPR-LRDDRELGSA-N 1 0 284.444 2.284 10 0 CEAERO CCOC(=O)[C@@](C[NH+]1CCCCCCC1)(NC)C1CC1 ZINC000069090940 521167069 /nfs/dbraw/zinc/16/70/69/521167069.db2.gz DZAFGEZLKCHHDB-INIZCTEOSA-N 1 0 282.428 2.184 10 0 CEAERO CCOC(=O)[C@@]([NH3+])(CSC1CCCC1)C1CC1 ZINC000069190648 521173476 /nfs/dbraw/zinc/17/34/76/521173476.db2.gz XQIGILQKCYAFIS-CYBMUJFWSA-N 1 0 257.399 2.333 10 0 CEAERO CCN(C[C@@H]1CCCO1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000069266186 521227707 /nfs/dbraw/zinc/22/77/07/521227707.db2.gz PRVRZLQOYQFYQA-GOEBONIOSA-N 1 0 260.381 2.332 10 0 CEAERO CCOC(=O)[C@H](CC[N@H+](C)C[C@@H](C)CC)NC1CC1 ZINC000062447650 521241831 /nfs/dbraw/zinc/24/18/31/521241831.db2.gz ACMCESLDLKQVEI-JSGCOSHPSA-N 1 0 270.417 2.038 10 0 CEAERO CCOc1ccc([C@@H]2[C@@H]([NH3+])CCCC(=O)N2C)cc1 ZINC000070292227 521247705 /nfs/dbraw/zinc/24/77/05/521247705.db2.gz SBDHCJDDRIPOIW-DZGCQCFKSA-N 1 0 262.353 2.096 10 0 CEAERO CCC(C)(C)[N@H+](C)C[C@H](O)c1ccc(C(N)=S)cc1 ZINC000069433855 521305355 /nfs/dbraw/zinc/30/53/55/521305355.db2.gz YUQSKDXOHMULAL-ZDUSSCGKSA-N 1 0 280.437 2.475 10 0 CEAERO CCC(C)(C)NC(=O)Cn1ccnc1C[NH2+]C(C)(C)C ZINC000051015453 521323274 /nfs/dbraw/zinc/32/32/74/521323274.db2.gz AMRSWUJBRNLAEQ-UHFFFAOYSA-N 1 0 280.416 2.076 10 0 CEAERO CCOC(=O)[C@](C[N@H+](C)CCC(C)C)(NC1CC1)C1CC1 ZINC000069183734 521336567 /nfs/dbraw/zinc/33/65/67/521336567.db2.gz SNZYBXXMNQQMQA-QGZVFWFLSA-N 1 0 296.455 2.428 10 0 CEAERO CCOC(=O)[C@](C[N@@H+]1CCCC[C@@H]1C)(NC1CC1)C1CC1 ZINC000069093796 521341207 /nfs/dbraw/zinc/34/12/07/521341207.db2.gz VGOXAPKMMDVSDT-SUMWQHHRSA-N 1 0 294.439 2.325 10 0 CEAERO CCOC(=O)[C@](N)(C[N@H+](C)[C@@H](C)C(C)(C)C)C1CC1 ZINC000069101063 521346116 /nfs/dbraw/zinc/34/61/16/521346116.db2.gz HYHPAWBSDGEVQU-NHYWBVRUSA-N 1 0 270.417 2.023 10 0 CEAERO CCC(C)(C)[NH2+]CCN1CCO[C@@H]2CCCC[C@@H]21 ZINC000053444245 521349763 /nfs/dbraw/zinc/34/97/63/521349763.db2.gz MEDUBYYLAMQWHS-UONOGXRCSA-N 1 0 254.418 2.408 10 0 CEAERO CCOc1cccc(C[C@@H](C)[NH3+])c1OCc1ncccn1 ZINC000054461847 521379897 /nfs/dbraw/zinc/37/98/97/521379897.db2.gz OBUQQDVPJOGTKK-GFCCVEGCSA-N 1 0 287.363 2.344 10 0 CEAERO CCCc1ccc(-n2nnnc2C[NH2+]CC(C)C)cc1 ZINC000054745059 521388625 /nfs/dbraw/zinc/38/86/25/521388625.db2.gz RBLAWPMSHOPJES-UHFFFAOYSA-N 1 0 273.384 2.360 10 0 CEAERO CCCN(C(=O)[C@@H](OC)c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000050437483 521434834 /nfs/dbraw/zinc/43/48/34/521434834.db2.gz AHRTYKPRBJYXIC-HOTGVXAUSA-N 1 0 290.407 2.365 10 0 CEAERO CCCN(C(=O)c1cc(C)ccc1OC)[C@@H]1CC[NH2+]C1 ZINC000052943385 521440160 /nfs/dbraw/zinc/44/01/60/521440160.db2.gz HNIGFTXZIBTUAQ-CYBMUJFWSA-N 1 0 276.380 2.218 10 0 CEAERO CCC(CC)(C[NH2+]CC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000054658908 521440201 /nfs/dbraw/zinc/44/02/01/521440201.db2.gz JCDOUPXQVKWEBF-ZDUSSCGKSA-N 1 0 275.458 2.473 10 0 CEAERO CCOc1ccccc1C(=O)NC[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000062036608 521458944 /nfs/dbraw/zinc/45/89/44/521458944.db2.gz CRKOLONOFDQUCV-OLZOCXBDSA-N 1 0 276.380 2.203 10 0 CEAERO CCN(c1nc(C)c(C[NH2+]C)s1)[C@@H](C)COC ZINC000054998671 521504246 /nfs/dbraw/zinc/50/42/46/521504246.db2.gz QSIGFIQIQQUKEN-VIFPVBQESA-N 1 0 257.403 2.032 10 0 CEAERO CCN1C(=O)C[C@H]([NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000070293069 521524707 /nfs/dbraw/zinc/52/47/07/521524707.db2.gz HSTLWKTUBNVRFX-CMPLNLGQSA-N 1 0 272.270 2.326 10 0 CEAERO CCCc1[nH+]c2cc(N)ccc2n1[C@@H](C)C(=O)NCC ZINC000052855458 521542452 /nfs/dbraw/zinc/54/24/52/521542452.db2.gz ASBBTZYWXPAZQG-JTQLQIEISA-N 1 0 274.368 2.268 10 0 CEAERO CCCN(CC(=O)Nc1cccc(OC)c1)C(C)(C)C[NH3+] ZINC000050091132 521551701 /nfs/dbraw/zinc/55/17/01/521551701.db2.gz FYOPQUAOPAALEE-UHFFFAOYSA-N 1 0 293.411 2.083 10 0 CEAERO CCOc1ccccc1NC(=O)c1cc[nH+]c(NN)c1 ZINC000051089493 521552243 /nfs/dbraw/zinc/55/22/43/521552243.db2.gz XOYQAMGKRLSMDD-UHFFFAOYSA-N 1 0 272.308 2.018 10 0 CEAERO CCCc1nccn1[C@H](C)C[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000068650306 521555168 /nfs/dbraw/zinc/55/51/68/521555168.db2.gz FOCCLJHQCAMLBH-IUODEOHRSA-N 1 0 280.416 2.029 10 0 CEAERO CCC(CC)N(CCOC)C(=O)[C@@H]1CCC[C@@H]([NH3+])[C@@H]1C ZINC000055133734 521557125 /nfs/dbraw/zinc/55/71/25/521557125.db2.gz OTFROSJKECKBMB-BPLDGKMQSA-N 1 0 284.444 2.414 10 0 CEAERO CCC(CC)N(CCOC)C(=O)[C@H]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000055133790 521557435 /nfs/dbraw/zinc/55/74/35/521557435.db2.gz RIXVXOWPFAZMKR-GUTXKFCHSA-N 1 0 284.444 2.414 10 0 CEAERO CCC[NH+](CCC)C[C@](NC)(C(=O)OCC)C1CC1 ZINC000069095604 521648255 /nfs/dbraw/zinc/64/82/55/521648255.db2.gz PVGCUGWCYRNQIX-OAHLLOKOSA-N 1 0 270.417 2.040 10 0 CEAERO CCCn1cc([C@@H]([NH3+])Cc2nc(C)cs2)cn1 ZINC000055267708 521655012 /nfs/dbraw/zinc/65/50/12/521655012.db2.gz VVGJAQHTPYZDQF-NSHDSACASA-N 1 0 250.371 2.301 10 0 CEAERO CCC1(C(=O)N2CC[C@@H](C)C[C@@H]2C)CC[NH2+]CC1 ZINC000062850274 521663614 /nfs/dbraw/zinc/66/36/14/521663614.db2.gz IFLNAQXJHPQEQQ-OLZOCXBDSA-N 1 0 252.402 2.413 10 0 CEAERO CCC1(C(=O)Nc2ccccc2[C@H](C)O)CC[NH2+]CC1 ZINC000062849971 521673503 /nfs/dbraw/zinc/67/35/03/521673503.db2.gz HCWLGIMQZBCOOD-LBPRGKRZSA-N 1 0 276.380 2.458 10 0 CEAERO CCC[N@H+](C[C@@](NCC)(C(=O)OCC)C1CC1)C1CC1 ZINC000069098262 521676340 /nfs/dbraw/zinc/67/63/40/521676340.db2.gz ZIJBEMPCIXGWMB-INIZCTEOSA-N 1 0 282.428 2.182 10 0 CEAERO CCS(=O)(=O)c1ccc(N2[C@@H](C[NH3+])CCC[C@@H]2C)cc1 ZINC000070157115 521689535 /nfs/dbraw/zinc/68/95/35/521689535.db2.gz CPMZODIEZBQQBF-GXTWGEPZSA-N 1 0 296.436 2.186 10 0 CEAERO CCCN(Cc1csc(C[NH3+])n1)CC(F)(F)F ZINC000052504091 521692750 /nfs/dbraw/zinc/69/27/50/521692750.db2.gz IUIBJJUBDFNNDJ-UHFFFAOYSA-N 1 0 267.320 2.376 10 0 CEAERO CCS(=O)(=O)c1ccccc1OC1CCC([NH3+])CC1 ZINC000055143535 521694120 /nfs/dbraw/zinc/69/41/20/521694120.db2.gz CUPJTVCDRNZFFV-UHFFFAOYSA-N 1 0 283.393 2.129 10 0 CEAERO CN(C)CC[NH2+]CCN1CCC(Cc2ccccc2)CC1 ZINC000053375010 521789814 /nfs/dbraw/zinc/78/98/14/521789814.db2.gz WWFZPPZECIXRCN-UHFFFAOYSA-N 1 0 289.467 2.092 10 0 CEAERO CCc1ccccc1C[NH2+][C@H](CC(C)C)C(=O)NC ZINC000052202737 521843849 /nfs/dbraw/zinc/84/38/49/521843849.db2.gz DRKOOYLEOHTTNL-OAHLLOKOSA-N 1 0 262.397 2.499 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1CC(=O)c1c[nH]c2ccccc12 ZINC000061645621 521866074 /nfs/dbraw/zinc/86/60/74/521866074.db2.gz RUTGJJCOOVGWCL-CYBMUJFWSA-N 1 0 285.391 2.377 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1Cc1ccc(Cl)nc1 ZINC000061644127 521871170 /nfs/dbraw/zinc/87/11/70/521871170.db2.gz QGRAVBPJPCSXGP-GFCCVEGCSA-N 1 0 253.777 2.261 10 0 CEAERO CN(C)C[C@H]1CCC[N@@H+]1[C@H]1CNc2ccccc2C1 ZINC000061644753 521873820 /nfs/dbraw/zinc/87/38/20/521873820.db2.gz SWRYUVXEWGYDPC-HUUCEWRRSA-N 1 0 259.397 2.049 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N(C)[C@@H](C)c1cc(F)ccc1F ZINC000061317197 521932292 /nfs/dbraw/zinc/93/22/92/521932292.db2.gz PIMIPKJIAQVJQQ-VIFPVBQESA-N 1 0 270.323 2.482 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N[C@@H](C)c1ccc(OC)c(F)c1 ZINC000061316230 521936655 /nfs/dbraw/zinc/93/66/55/521936655.db2.gz OHBRGNADMWAMJB-VIFPVBQESA-N 1 0 268.332 2.010 10 0 CEAERO CN(C)Cc1nc(C[C@H]([NH3+])c2ccccc2)cs1 ZINC000051965903 521937030 /nfs/dbraw/zinc/93/70/30/521937030.db2.gz WGRGWKYPJVRSPI-ZDUSSCGKSA-N 1 0 261.394 2.447 10 0 CEAERO CC[C@H](C)[C@H](C)NS(=O)(=O)c1ccc(C[NH2+]C)cc1 ZINC000049095487 521938229 /nfs/dbraw/zinc/93/82/29/521938229.db2.gz LXUGISYRYNJDQJ-RYUDHWBXSA-N 1 0 284.425 2.119 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N[C@H](C)Cc1ccccc1Cl ZINC000061300706 521939230 /nfs/dbraw/zinc/93/92/30/521939230.db2.gz DTUCZQLSLCAFGI-SNVBAGLBSA-N 1 0 268.788 2.385 10 0 CEAERO C[NH2+]C(C)(C)C(=O)Nc1cccc(Cl)c1-n1ccnc1 ZINC000061300664 521943713 /nfs/dbraw/zinc/94/37/13/521943713.db2.gz RXBXVVYEMUFVEN-UHFFFAOYSA-N 1 0 292.770 2.462 10 0 CEAERO C[NH2+]CCCc1nnc(-c2cc3c(s2)CCC3)o1 ZINC000050616677 522000247 /nfs/dbraw/zinc/00/02/47/522000247.db2.gz OBHPTNYKMDWROD-UHFFFAOYSA-N 1 0 263.366 2.439 10 0 CEAERO COCCc1ccc(OCc2ccnc(C[NH3+])c2)cc1 ZINC000068751567 522012779 /nfs/dbraw/zinc/01/27/79/522012779.db2.gz AJFGFFZCLVUBGF-UHFFFAOYSA-N 1 0 272.348 2.308 10 0 CEAERO C[NH2+]CCc1nnc([C@@H]2CCCc3ccccc32)o1 ZINC000054669797 522022660 /nfs/dbraw/zinc/02/26/60/522022660.db2.gz PMLGQAUZDIZQJT-CYBMUJFWSA-N 1 0 257.337 2.300 10 0 CEAERO C[NH2+]C[C@@H](Cc1cnn(C)c1)Cc1cccc(F)c1 ZINC000052976948 522034355 /nfs/dbraw/zinc/03/43/55/522034355.db2.gz ABIGCTMWSPPTIP-CYBMUJFWSA-N 1 0 261.344 2.180 10 0 CEAERO C[NH2+]C[C@@H](Oc1cc(OC)cc(OC)c1)C(C)C ZINC000070144214 522037496 /nfs/dbraw/zinc/03/74/96/522037496.db2.gz MYECCZKSIRJLNL-CQSZACIVSA-N 1 0 253.342 2.327 10 0 CEAERO C[NH2+]C[C@@H]1CCCCN1C(=O)c1ccc(C)s1 ZINC000063167616 522039736 /nfs/dbraw/zinc/03/97/36/522039736.db2.gz LSCOACRVBQYJFA-NSHDSACASA-N 1 0 252.383 2.271 10 0 CEAERO CC[C@H](C)c1ccccc1OCC[C@@H]([NH2+]C)C(N)=O ZINC000062551086 522049990 /nfs/dbraw/zinc/04/99/90/522049990.db2.gz RNASOCXZEGKPHM-WCQYABFASA-N 1 0 264.369 2.042 10 0 CEAERO C[NH2+]Cc1cccc(N(CCOC)[C@H](C)C2CC2)n1 ZINC000051491532 522126917 /nfs/dbraw/zinc/12/69/17/522126917.db2.gz LBXZFTKWNBIZSJ-GFCCVEGCSA-N 1 0 263.385 2.052 10 0 CEAERO C[NH2+]Cc1cccc(NC(=O)c2cncc(F)c2)c1 ZINC000156680502 522132206 /nfs/dbraw/zinc/13/22/06/522132206.db2.gz SBRJGIWLILACJG-UHFFFAOYSA-N 1 0 259.284 2.192 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(c2ccc(Cl)c(CO)n2)CC1 ZINC000055069066 522134895 /nfs/dbraw/zinc/13/48/95/522134895.db2.gz YCVYEWQHNQVQOO-LLVKDONJSA-N 1 0 283.803 2.148 10 0 CEAERO C[NH2+]Cc1cnn(-c2ccc(C)nn2)c1-c1ccccc1 ZINC000049960992 522148466 /nfs/dbraw/zinc/14/84/66/522148466.db2.gz PPFJMLOLMIVOMZ-UHFFFAOYSA-N 1 0 279.347 2.357 10 0 CEAERO C[NH2+]Cc1nc2cc(F)cc(Br)c2o1 ZINC000062538301 522154514 /nfs/dbraw/zinc/15/45/14/522154514.db2.gz YYOFWVIUAYSRNS-UHFFFAOYSA-N 1 0 259.078 2.449 10 0 CEAERO CC[C@H]([NH3+])Cc1c(C)nn(CCc2ccncc2)c1C ZINC000062803319 522330611 /nfs/dbraw/zinc/33/06/11/522330611.db2.gz SHEXRQZVELMRJS-HNNXBMFYSA-N 1 0 272.396 2.417 10 0 CEAERO C[NH2+][C@@H](C)c1cccc(NC(=O)N(C)CCCOC)c1 ZINC000062032463 522335304 /nfs/dbraw/zinc/33/53/04/522335304.db2.gz BUMZNJMVVUOQOL-LBPRGKRZSA-N 1 0 279.384 2.467 10 0 CEAERO C[NH2+][C@@H](C)c1nnn(-c2cccc(COC)c2)c1C ZINC000049511465 522340083 /nfs/dbraw/zinc/34/00/83/522340083.db2.gz UPXSPKDIOVCSJO-JTQLQIEISA-N 1 0 260.341 2.003 10 0 CEAERO C[NH2+][C@@H](Cc1cc(C)ccc1OC)c1ccncn1 ZINC000070097484 522358737 /nfs/dbraw/zinc/35/87/37/522358737.db2.gz FFAIDHADKLUKEH-AWEZNQCLSA-N 1 0 257.337 2.297 10 0 CEAERO C[NH2+][C@@H](Cc1ccc(OC)c(OC)c1)[C@@H]1CCCOC1 ZINC000062237221 522360496 /nfs/dbraw/zinc/36/04/96/522360496.db2.gz DSKBPHDXYUELMC-KGLIPLIRSA-N 1 0 279.380 2.261 10 0 CEAERO CCc1nc(Cn2nc(C)c(C[NH3+])c2C)cs1 ZINC000049275991 522378801 /nfs/dbraw/zinc/37/88/01/522378801.db2.gz LEYJSFCYHGSPEL-UHFFFAOYSA-N 1 0 250.371 2.026 10 0 CEAERO C[NH2+][C@@H]1CCCc2c1cc(OC)c(OC)c2OC ZINC000054742712 522389208 /nfs/dbraw/zinc/38/92/08/522389208.db2.gz FAPMIELPVFMTBD-LLVKDONJSA-N 1 0 251.326 2.309 10 0 CEAERO C[NH2+][C@@H]1CCC[C@H]1Oc1cc(OC)cc(OC)c1 ZINC000068967373 522389250 /nfs/dbraw/zinc/38/92/50/522389250.db2.gz QFPVLGGHFDUKAJ-ZIAGYGMSSA-N 1 0 251.326 2.223 10 0 CEAERO COC[C@@H](O)CN(C)c1ccc(F)cc1C[NH2+]C(C)(C)C ZINC000062737680 522400494 /nfs/dbraw/zinc/40/04/94/522400494.db2.gz JMOHETHXJHGGQK-AWEZNQCLSA-N 1 0 298.402 2.157 10 0 CEAERO C[NH2+][C@@H]1COc2cc(OCc3cc(C)on3)ccc21 ZINC000062804158 522401365 /nfs/dbraw/zinc/40/13/65/522401365.db2.gz KVMDSXWCTRXHCE-CYBMUJFWSA-N 1 0 260.293 2.215 10 0 CEAERO COc1cc(CNC(=O)C2(C[NH3+])CCCCCC2)ccn1 ZINC000062073505 522408061 /nfs/dbraw/zinc/40/80/61/522408061.db2.gz ZKDPHYAWCCCITL-UHFFFAOYSA-N 1 0 291.395 2.006 10 0 CEAERO COC(=O)c1sccc1NC(=O)CCC1CC[NH2+]CC1 ZINC000050950368 522445374 /nfs/dbraw/zinc/44/53/74/522445374.db2.gz YKAIYGCUYOQWDM-UHFFFAOYSA-N 1 0 296.392 2.253 10 0 CEAERO C[NH2+][C@H](C)c1sc(N2CCN(C3CC3)CC2)nc1C ZINC000054909488 522456050 /nfs/dbraw/zinc/45/60/50/522456050.db2.gz MDYNDLADUGRDQY-SNVBAGLBSA-N 1 0 280.441 2.016 10 0 CEAERO C[NH2+][C@H](C)c1nnn(-c2cc(F)cc(F)c2F)c1C ZINC000061121916 522456287 /nfs/dbraw/zinc/45/62/87/522456287.db2.gz FIEDFUVJSGVIBR-ZCFIWIBFSA-N 1 0 270.258 2.273 10 0 CEAERO C[NH2+][C@H](c1ccc(OC)c(OC)c1OC)C1CCOCC1 ZINC000061672122 522480797 /nfs/dbraw/zinc/48/07/97/522480797.db2.gz OLFGOVCVTKMSMQ-AWEZNQCLSA-N 1 0 295.379 2.400 10 0 CEAERO C[NH2+][C@H](c1ccnn1C)c1cc(F)c(F)c(F)c1 ZINC000069467656 522485408 /nfs/dbraw/zinc/48/54/08/522485408.db2.gz IWYRVVXUKINPCF-LBPRGKRZSA-N 1 0 255.243 2.146 10 0 CEAERO CCc1[nH+]c2cc(N)ccc2n1CCn1ccnc1 ZINC000052855542 522486849 /nfs/dbraw/zinc/48/68/49/522486849.db2.gz QDJURDKDLJTIKJ-UHFFFAOYSA-N 1 0 255.325 2.078 10 0 CEAERO C[NH2+][C@H](c1nccn1C)c1ccc2ncccc2c1 ZINC000061418641 522488826 /nfs/dbraw/zinc/48/88/26/522488826.db2.gz RCFMQQYRLGTAFQ-AWEZNQCLSA-N 1 0 252.321 2.277 10 0 CEAERO CC[C@@H](CC[NH3+])NC(=O)c1nccc2ccccc21 ZINC000054161927 522496743 /nfs/dbraw/zinc/49/67/43/522496743.db2.gz OCOOIFIJEHPLJQ-LBPRGKRZSA-N 1 0 257.337 2.092 10 0 CEAERO C[NH2+][C@H]1COc2cc(OCc3ccncc3)ccc21 ZINC000062804464 522508436 /nfs/dbraw/zinc/50/84/36/522508436.db2.gz VDMPZBJXBFZEAC-AWEZNQCLSA-N 1 0 256.305 2.314 10 0 CEAERO C[NH2+][C@](C)(CCCCOC1CCC(C)CC1)C(N)=O ZINC000045479377 522514243 /nfs/dbraw/zinc/51/42/43/522514243.db2.gz RVKOMZJSSLVZBJ-SSDMNJCBSA-N 1 0 270.417 2.215 10 0 CEAERO C[NH2+][C@](C)(C[C@H](C)[NH+]1CCC2(CCCC2)CC1)C(=O)[O-] ZINC000068645426 522523860 /nfs/dbraw/zinc/52/38/60/522523860.db2.gz FUJLRCUTULAVMV-DZGCQCFKSA-N 1 0 282.428 2.484 10 0 CEAERO CN[C@](C[NH+]1CCC2(CCCC2)CC1)(C(=O)OC)C1CC1 ZINC000069232586 522527807 /nfs/dbraw/zinc/52/78/07/522527807.db2.gz WYDXRHGKWKCKQR-KRWDZBQOSA-N 1 0 294.439 2.184 10 0 CEAERO CNc1cc(C[N@H+](CCO)C2CCCCC2)ccn1 ZINC000052727714 522564054 /nfs/dbraw/zinc/56/40/54/522564054.db2.gz ROGIZJGGPFIVSI-UHFFFAOYSA-N 1 0 263.385 2.250 10 0 CEAERO COc1cc(F)c([C@@H]([NH3+])c2ccoc2)cc1OC ZINC000061560288 522585010 /nfs/dbraw/zinc/58/50/10/522585010.db2.gz WJFCVKKGYUWARH-ZDUSSCGKSA-N 1 0 251.257 2.484 10 0 CEAERO CNc1ccc(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000050775630 522590048 /nfs/dbraw/zinc/59/00/48/522590048.db2.gz SEHDTAZTRKTMDC-CYBMUJFWSA-N 1 0 275.396 2.188 10 0 CEAERO COC[C@H](C)N(C)C(=O)Nc1cccc([C@@H](C)[NH3+])c1 ZINC000049040999 522591040 /nfs/dbraw/zinc/59/10/40/522591040.db2.gz PIFRULYOTUWUSO-WDEREUQCSA-N 1 0 265.357 2.205 10 0 CEAERO CNc1ccc(Cl)c(CN2CC[NH+](C3CC3)CC2)n1 ZINC000061638980 522622816 /nfs/dbraw/zinc/62/28/16/522622816.db2.gz AUMKZBMRUJAJKO-UHFFFAOYSA-N 1 0 280.803 2.057 10 0 CEAERO CC[C@@H]([NH3+])Cc1cnc(-c2ccc(OC)cc2)nc1 ZINC000054858260 522644691 /nfs/dbraw/zinc/64/46/91/522644691.db2.gz FKPMFWIJJCBIDI-CYBMUJFWSA-N 1 0 257.337 2.432 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C(C)C)c1ccco1 ZINC000061595164 522649074 /nfs/dbraw/zinc/64/90/74/522649074.db2.gz NRZNZANTWFBOGR-MWLCHTKSSA-N 1 0 296.396 2.316 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1CC)c1ccsc1 ZINC000061594215 522653847 /nfs/dbraw/zinc/65/38/47/522653847.db2.gz MOAKZRUDIAHVAG-NXEZZACHSA-N 1 0 298.437 2.224 10 0 CEAERO CC[C@H]([NH2+][C@@H](C)C(=O)NCCOC)C1CCCCC1 ZINC000052340008 522684613 /nfs/dbraw/zinc/68/46/13/522684613.db2.gz QOOHOQFMFKQEPK-JSGCOSHPSA-N 1 0 270.417 2.086 10 0 CEAERO COC1CCN(c2cc(Cl)ccc2C[NH3+])CC1 ZINC000062786787 522709756 /nfs/dbraw/zinc/70/97/56/522709756.db2.gz CYMNIQCJBIALSZ-UHFFFAOYSA-N 1 0 254.761 2.414 10 0 CEAERO 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2.286 10 0 CEAERO COCCN([C@@H](C[NH3+])c1ccc2ncccc2c1)C1CC1 ZINC000069502652 523780250 /nfs/dbraw/zinc/78/02/50/523780250.db2.gz FEPFXSOQGIOHNB-KRWDZBQOSA-N 1 0 285.391 2.345 10 0 CEAERO COCCN([C@@H](C[NH3+])c1ccc(F)c(C)c1)C1CC1 ZINC000050546401 523780860 /nfs/dbraw/zinc/78/08/60/523780860.db2.gz KXLIBAKFRFNGSG-HNNXBMFYSA-N 1 0 266.360 2.245 10 0 CEAERO C[N@@H+]1CCCC[C@H]1CNCc1ccn(-c2ccccc2)n1 ZINC000061641105 523800308 /nfs/dbraw/zinc/80/03/08/523800308.db2.gz NVPNSYTVTYDWTR-KRWDZBQOSA-N 1 0 284.407 2.446 10 0 CEAERO COc1ccc(C)cc1C(=O)N(CCC[NH3+])C(C)C ZINC000052943286 523800963 /nfs/dbraw/zinc/80/09/63/523800963.db2.gz HEQVUENFRNBDEU-UHFFFAOYSA-N 1 0 264.369 2.203 10 0 CEAERO COC(=O)[C@@](C)(C[C@H](C)[N@H+](C)[C@@H](C)C1CC1)NC(C)C ZINC000068625484 523816971 /nfs/dbraw/zinc/81/69/71/523816971.db2.gz SRJIANJWLPRZNA-HEHGZKQESA-N 1 0 284.444 2.425 10 0 CEAERO COC(=O)[C@@](C)(C[C@H](C)[NH+]1CCC(C)CC1)NC(C)C ZINC000068618569 523817262 /nfs/dbraw/zinc/81/72/62/523817262.db2.gz TVZVCCYZQXSLCQ-GOEBONIOSA-N 1 0 284.444 2.427 10 0 CEAERO COCCN1CCCC[C@@H]([NH3+])[C@@H]1c1cccc(F)c1F ZINC000070301903 523818244 /nfs/dbraw/zinc/81/82/44/523818244.db2.gz MCOIFDCECWWDKW-HIFRSBDPSA-N 1 0 284.350 2.466 10 0 CEAERO COC(=O)[C@@](C)([NH3+])C[C@H](C)n1ccnc1-c1cccs1 ZINC000068649633 523819288 /nfs/dbraw/zinc/81/92/88/523819288.db2.gz UGOKPXGUYMFGPO-HZMBPMFUSA-N 1 0 293.392 2.453 10 0 CEAERO COc1ccc(C)cc1[C@H]([NH3+])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000052943461 523860108 /nfs/dbraw/zinc/86/01/08/523860108.db2.gz ULVCXEBBSJDAQY-OAHLLOKOSA-N 1 0 283.331 2.221 10 0 CEAERO CCc1ccc(-c2ncc(C[NH2+]CCOC)cn2)cc1 ZINC000054856736 523861190 /nfs/dbraw/zinc/86/11/90/523861190.db2.gz HWKHREBAZJKEDS-UHFFFAOYSA-N 1 0 271.364 2.442 10 0 CEAERO COCCN1CC[C@H]([NH3+])[C@@H]1c1ccccc1Cl ZINC000070300419 523867994 /nfs/dbraw/zinc/86/79/94/523867994.db2.gz QLNOZTQMTVIKDL-STQMWFEESA-N 1 0 254.761 2.061 10 0 CEAERO CN(C(=O)[C@@H]1CC12CC[NH2+]CC2)c1cccc(F)c1 ZINC000070256015 523894847 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ZINC000049147542 524744369 /nfs/dbraw/zinc/74/43/69/524744369.db2.gz CZIYNBHNQTXXME-LLVKDONJSA-N 1 0 273.336 2.491 10 0 CEAERO Cc1cc(C[NH2+][C@@H](CO)Cc2ccccc2)c(C)n1C ZINC000063218997 524770118 /nfs/dbraw/zinc/77/01/18/524770118.db2.gz BLRVVPNMCQZSMN-QGZVFWFLSA-N 1 0 272.392 2.335 10 0 CEAERO Cc1ccc(F)c(C(=O)NC[C@@H]2CCC[C@H](C)[NH2+]2)c1 ZINC000052981645 524792953 /nfs/dbraw/zinc/79/29/53/524792953.db2.gz YJZDOAOANHHPGE-RYUDHWBXSA-N 1 0 264.344 2.395 10 0 CEAERO COc1ccccc1[C@H]([C@@H](C)[NH3+])N1CCC[C@@H]1CCCO ZINC000052757497 524800951 /nfs/dbraw/zinc/80/09/51/524800951.db2.gz VBGQYXQEKMSPIK-CPUCHLNUSA-N 1 0 292.423 2.320 10 0 CEAERO COc1ccc(OC)c(CN2C[C@H](C[NH3+])CC[C@@H]2C)c1 ZINC000070179109 524830540 /nfs/dbraw/zinc/83/05/40/524830540.db2.gz IASHOZYHSXZKAK-STQMWFEESA-N 1 0 278.396 2.263 10 0 CEAERO C[C@H]1C[C@H](C)CN(C(=O)C2CCC(C[NH3+])CC2)C1 ZINC000055145824 524876691 /nfs/dbraw/zinc/87/66/91/524876691.db2.gz SKZBRROWNUKNBY-FEPKRQSRSA-N 1 0 252.402 2.256 10 0 CEAERO COc1ccc(OC)c([C@H](O)C[NH2+]C[C@H](C)CSC)c1 ZINC000069448167 524909275 /nfs/dbraw/zinc/90/92/75/524909275.db2.gz LBPBNPVFWBEFKJ-SMDDNHRTSA-N 1 0 299.436 2.326 10 0 CEAERO COc1ccc(OC2CCOCC2)c(C[C@H](C)[NH3+])c1 ZINC000069310520 524927962 /nfs/dbraw/zinc/92/79/62/524927962.db2.gz MBIKHQHYXHSRKF-NSHDSACASA-N 1 0 265.353 2.143 10 0 CEAERO C[C@@H]1CN(CC2(C[NH2+]C(C)(C)C)CCOCC2)C[C@H](C)O1 ZINC000052180769 524935498 /nfs/dbraw/zinc/93/54/98/524935498.db2.gz TVEGOGYPSOIJKC-GASCZTMLSA-N 1 0 298.471 2.281 10 0 CEAERO C[C@H](NC(=O)CC[C@@H]1CCCC[NH2+]1)c1ccccn1 ZINC000050942093 524936296 /nfs/dbraw/zinc/93/62/96/524936296.db2.gz INGKIAQAKNYQEY-STQMWFEESA-N 1 0 261.369 2.181 10 0 CEAERO C[C@@H]([NH3+])Cc1nccn1CCCOc1ccccc1 ZINC000062802928 525000939 /nfs/dbraw/zinc/00/09/39/525000939.db2.gz CNZMPPVWBBOIPJ-CYBMUJFWSA-N 1 0 259.353 2.242 10 0 CEAERO Cc1cc(F)ccc1[C@@H](C[NH3+])N(C)C[C@@H]1CCCO1 ZINC000050578885 525003370 /nfs/dbraw/zinc/00/33/70/525003370.db2.gz RNAIXDFIIXBJOK-DZGCQCFKSA-N 1 0 266.360 2.245 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccc(F)cc1)N1CCC[C@@H]1CCCO ZINC000052757565 525015739 /nfs/dbraw/zinc/01/57/39/525015739.db2.gz KKEKCGQFNWENQI-DAXOMENPSA-N 1 0 280.387 2.451 10 0 CEAERO C[C@@H]([NH3+])[C@](O)(c1cc(F)ccc1F)C(F)(F)F ZINC000062784618 525024884 /nfs/dbraw/zinc/02/48/84/525024884.db2.gz DOWMMUVALXMRSD-ANLVUFKYSA-N 1 0 255.186 2.062 10 0 CEAERO C[C@@H]1CN(c2cc(Cl)ccc2C(N)=[NH2+])CCCO1 ZINC000062789006 525061052 /nfs/dbraw/zinc/06/10/52/525061052.db2.gz MVADXNYUXVMSQV-SECBINFHSA-N 1 0 267.760 2.239 10 0 CEAERO C[C@@H]1CN(c2ccc(C(N)=[NH2+])cc2Cl)CCCO1 ZINC000062794319 525064607 /nfs/dbraw/zinc/06/46/07/525064607.db2.gz UPUOTEWIISYFBQ-SECBINFHSA-N 1 0 267.760 2.239 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H](C)N1Cc1ccc(Br)o1 ZINC000068915041 525103304 /nfs/dbraw/zinc/10/33/04/525103304.db2.gz GDFBWEFJZOTIHC-DTORHVGOSA-N 1 0 273.174 2.224 10 0 CEAERO Cc1ccccc1CCC(=O)NC[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000062037108 525104389 /nfs/dbraw/zinc/10/43/89/525104389.db2.gz UVWSLWWUVNNJRG-CABCVRRESA-N 1 0 274.408 2.432 10 0 CEAERO C[C@@H](NC(=O)C[NH2+]C1CCCC1)c1ccsc1 ZINC000061366460 525112998 /nfs/dbraw/zinc/11/29/98/525112998.db2.gz XHJJZKMEHKMKSR-SNVBAGLBSA-N 1 0 252.383 2.458 10 0 CEAERO C[C@]([NH3+])(c1ccc(Br)cc1)c1cncnc1 ZINC000052887680 525149260 /nfs/dbraw/zinc/14/92/60/525149260.db2.gz RGXVOQNMRSPWQQ-LBPRGKRZSA-N 1 0 278.153 2.461 10 0 CEAERO C[C@](O)(C[NH2+]Cc1ccc2c(c1)OCO2)c1ccccc1 ZINC000061674858 525179612 /nfs/dbraw/zinc/17/96/12/525179612.db2.gz BXJSVXRIRYUETQ-KRWDZBQOSA-N 1 0 285.343 2.413 10 0 CEAERO C[C@]1(C(=O)N(Cc2cccc(O)c2)C2CC2)CCC[NH2+]C1 ZINC000062857682 525189225 /nfs/dbraw/zinc/18/92/25/525189225.db2.gz NMQUIVMVAILBOP-KRWDZBQOSA-N 1 0 288.391 2.273 10 0 CEAERO COc1ccc([C@@H]([NH2+]C2CCCC2)C(N)=O)cc1C ZINC000050597196 525200613 /nfs/dbraw/zinc/20/06/13/525200613.db2.gz HCIKRMRMIWNFRB-CQSZACIVSA-N 1 0 262.353 2.062 10 0 CEAERO Cc1ccccc1NC(=O)Cn1ccnc1C[NH2+]C1CC1 ZINC000051015107 525245495 /nfs/dbraw/zinc/24/54/95/525245495.db2.gz QWUARPYCNVGFLD-UHFFFAOYSA-N 1 0 284.363 2.082 10 0 CEAERO C[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)c1ccsc1 ZINC000061366137 525264157 /nfs/dbraw/zinc/26/41/57/525264157.db2.gz TXCQZQFIEPIFOJ-RISCZKNCSA-N 1 0 274.389 2.495 10 0 CEAERO Cc1cc(NC[C@H]2CCCC[N@H+]2C)nc(Cl)n1 ZINC000052814878 525274419 /nfs/dbraw/zinc/27/44/19/525274419.db2.gz DVEUHCVCKKWDGH-SNVBAGLBSA-N 1 0 254.765 2.335 10 0 CEAERO C[C@@H](NC(=O)[C@H]([NH3+])Cc1ccccc1)c1ccsc1 ZINC000061366293 525286978 /nfs/dbraw/zinc/28/69/78/525286978.db2.gz TXCQZQFIEPIFOJ-BXUZGUMPSA-N 1 0 274.389 2.495 10 0 CEAERO C[C@H]([NH2+]CC(=O)Nc1ccc(F)cc1F)[C@H]1CCCO1 ZINC000183093542 525308494 /nfs/dbraw/zinc/30/84/94/525308494.db2.gz ZSLTYKDPWCDRIL-TVQRCGJNSA-N 1 0 284.306 2.060 10 0 CEAERO C[C@@H]1C[C@@H]1[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000052287716 525329522 /nfs/dbraw/zinc/32/95/22/525329522.db2.gz SVMXRQCHIPDCJI-KCJUWKMLSA-N 1 0 283.169 2.386 10 0 CEAERO C[C@H]([NH2+]CCN(C)Cc1ccccc1F)[C@@H]1CCCO1 ZINC000053438221 525349369 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ZINC000069446218 525509355 /nfs/dbraw/zinc/50/93/55/525509355.db2.gz YVYXDPQIRRAQIJ-LLVKDONJSA-N 1 0 275.801 2.032 10 0 CEAERO C[C@@H](NS(=O)(=O)C[C@H]1CCCC[NH2+]1)C1CCCCC1 ZINC000052344024 525570593 /nfs/dbraw/zinc/57/05/93/525570593.db2.gz OQCRSHTYZFBINU-TZMCWYRMSA-N 1 0 288.457 2.017 10 0 CEAERO CSC[C@@H](C)C[NH2+][C@H](C)C(=O)NC1CCCCC1 ZINC000069447457 525623694 /nfs/dbraw/zinc/62/36/94/525623694.db2.gz IQWPXPQHAXZPPX-NWDGAFQWSA-N 1 0 272.458 2.413 10 0 CEAERO C[C@H]([NH2+][C@H](C(=O)[O-])c1ccccc1)C1CC[NH+](C)CC1 ZINC000050509506 525593001 /nfs/dbraw/zinc/59/30/01/525593001.db2.gz SHGPUTGMIQCHLP-WFASDCNBSA-N 1 0 276.380 2.132 10 0 CEAERO C[C@H]([NH2+][C@H](C(=O)[O-])c1ccccc1)[C@@H]1CCC[N@H+](C)C1 ZINC000050509516 525594265 /nfs/dbraw/zinc/59/42/65/525594265.db2.gz AJFRDKVIGLPPMT-CFVMTHIKSA-N 1 0 276.380 2.132 10 0 CEAERO C[C@@H]1Oc2ccccc2N(CCC[C@H]2CCC[NH2+]2)C1=O ZINC000052764851 525617339 /nfs/dbraw/zinc/61/73/39/525617339.db2.gz WBSJALCPTMQZNU-QWHCGFSZSA-N 1 0 274.364 2.333 10 0 CEAERO CSC[C@@H](C)C[NH2+]C[C@H](O)COCc1cccs1 ZINC000069447214 525622125 /nfs/dbraw/zinc/62/21/25/525622125.db2.gz YFBURSRKLCOBCZ-RYUDHWBXSA-N 1 0 289.466 2.214 10 0 CEAERO C[C@@H]1[C@@H](C)CCCN1c1nc2ccccn2c1C[NH3+] ZINC000050566080 525643779 /nfs/dbraw/zinc/64/37/79/525643779.db2.gz XIJPNBBPCJTDCE-NWDGAFQWSA-N 1 0 258.369 2.418 10 0 CEAERO CSC[C@H](C)C[NH2+]C[C@](C)(O)c1ccccc1 ZINC000069447409 525681096 /nfs/dbraw/zinc/68/10/96/525681096.db2.gz ILTIARBKZWVZPZ-OCCSQVGLSA-N 1 0 253.411 2.483 10 0 CEAERO CSC[C@H](C)C[NH2+][C@H](C)c1c(C)nc(C)[nH]c1=O ZINC000069438934 525682515 /nfs/dbraw/zinc/68/25/15/525682515.db2.gz UZMMPRZMEKGXEQ-RKDXNWHRSA-N 1 0 269.414 2.036 10 0 CEAERO Cc1cc2ncn(-c3ccnc(C(N)=[NH2+])c3)c2cc1C ZINC000061814412 525682948 /nfs/dbraw/zinc/68/29/48/525682948.db2.gz PVCFPMDFVXMBHB-UHFFFAOYSA-N 1 0 265.320 2.321 10 0 CEAERO Cc1cc2ncnn2c(N2CC[NH2+]Cc3ccccc32)c1 ZINC000062819184 525686370 /nfs/dbraw/zinc/68/63/70/525686370.db2.gz DFEHOKGUVNYNLC-UHFFFAOYSA-N 1 0 279.347 2.279 10 0 CEAERO Cc1cc2ncn(Cc3cccnc3C(N)=[NH2+])c2cc1C ZINC000061658438 525686665 /nfs/dbraw/zinc/68/66/65/525686665.db2.gz SHCLMYWVTXHZAZ-UHFFFAOYSA-N 1 0 279.347 2.381 10 0 CEAERO Cc1ccc([C@@H](CN)[N@@H+]2CCC[C@@H]2CCCO)cc1 ZINC000052757288 525756067 /nfs/dbraw/zinc/75/60/67/525756067.db2.gz CJSNUSRWYWQETC-HZPDHXFCSA-N 1 0 262.397 2.232 10 0 CEAERO C[C@@](O)(COc1ccc2c(c1)OC[C@H]2[NH3+])c1ccccc1 ZINC000062803391 525779986 /nfs/dbraw/zinc/77/99/86/525779986.db2.gz HQCCGDWYAUVYBM-NVXWUHKLSA-N 1 0 285.343 2.365 10 0 CEAERO Cc1c(N)cc(C(=O)N[C@H](C[NH+](C)C)C(C)C)cc1F ZINC000049191978 525816839 /nfs/dbraw/zinc/81/68/39/525816839.db2.gz ACLIGUUQYINILB-CQSZACIVSA-N 1 0 281.375 2.032 10 0 CEAERO C[C@@]1(C(=O)OCc2ccccc2F)CCC[NH2+]C1 ZINC000069280877 525820820 /nfs/dbraw/zinc/82/08/20/525820820.db2.gz CLYCFAMWTCUJFV-CQSZACIVSA-N 1 0 251.301 2.259 10 0 CEAERO Cc1ccsc1C[NH2+]CCN1CCCO[C@@H](C)C1 ZINC000061936532 525857084 /nfs/dbraw/zinc/85/70/84/525857084.db2.gz YVMWLQALAPQSAX-ZDUSSCGKSA-N 1 0 268.426 2.257 10 0 CEAERO C[C@H](O)c1ccccc1NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000049547333 525860716 /nfs/dbraw/zinc/86/07/16/525860716.db2.gz NWRLHHJBRPSMIX-NHYWBVRUSA-N 1 0 270.332 2.378 10 0 CEAERO C[C@@H](O)c1ccccc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062981329 525871229 /nfs/dbraw/zinc/87/12/29/525871229.db2.gz GGABENLQSDSTOJ-KGLIPLIRSA-N 1 0 260.381 2.414 10 0 CEAERO C[C@@H](O)c1ccccc1NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000049547269 525873237 /nfs/dbraw/zinc/87/32/37/525873237.db2.gz ASRGZRNKSIQKGL-DOMZBBRYSA-N 1 0 284.359 2.248 10 0 CEAERO C[C@@H](O)c1cnc(N2CC[NH+](C3CCCC3)CC2)s1 ZINC000054911553 525882373 /nfs/dbraw/zinc/88/23/73/525882373.db2.gz WKLKSCQXYYITQY-LLVKDONJSA-N 1 0 281.425 2.261 10 0 CEAERO C[C@@H](Oc1ccc(Cl)cc1C[NH2+]C(C)(C)C)C(N)=O ZINC000062730781 525926314 /nfs/dbraw/zinc/92/63/14/525926314.db2.gz BGRGIIPZMGDIKA-SECBINFHSA-N 1 0 284.787 2.481 10 0 CEAERO C[C@@H](c1ccc(C[NH3+])cc1)N1C(=O)CC(C)(C)CC1=O ZINC000061824486 526039029 /nfs/dbraw/zinc/03/90/29/526039029.db2.gz HMQYSOJGNLFOQX-NSHDSACASA-N 1 0 274.364 2.382 10 0 CEAERO Cc1cnc(C[NH2+]Cc2ccc(-n3cccn3)cc2)cn1 ZINC000061320668 526039961 /nfs/dbraw/zinc/03/99/61/526039961.db2.gz RHDIARKNUREFHE-UHFFFAOYSA-N 1 0 279.347 2.261 10 0 CEAERO C[C@H](c1cnccn1)[NH+]1CCC(Cn2cccn2)CC1 ZINC000184527553 526163752 /nfs/dbraw/zinc/16/37/52/526163752.db2.gz QVORECHYFCRIIW-CYBMUJFWSA-N 1 0 271.368 2.146 10 0 CEAERO C[C@@H](c1nc2cc(F)ccc2s1)N1CC[NH2+]CC1 ZINC000051640106 526173597 /nfs/dbraw/zinc/17/35/97/526173597.db2.gz QXJNDBDMTFMPBW-VIFPVBQESA-N 1 0 265.357 2.402 10 0 CEAERO Cc1cc(C(=O)N2CCC[C@H]2[C@@H]2CCC[NH2+]2)ccc1F ZINC000063058182 526251025 /nfs/dbraw/zinc/25/10/25/526251025.db2.gz KYNVQJHUEBRTGE-GJZGRUSLSA-N 1 0 276.355 2.491 10 0 CEAERO Cc1ccc2[nH]c(S[C@@H](C[NH3+])c3cnn(C)c3)nc2c1 ZINC000061439962 526254650 /nfs/dbraw/zinc/25/46/50/526254650.db2.gz MOVREUGHCJYNBN-ZDUSSCGKSA-N 1 0 287.392 2.397 10 0 CEAERO Cc1nn([C@H](C[NH3+])C(F)(F)F)c(C)c1Br ZINC000050588715 526306410 /nfs/dbraw/zinc/30/64/10/526306410.db2.gz OXZVNNGMNFKWIP-ZCFIWIBFSA-N 1 0 286.095 2.325 10 0 CEAERO Fc1ccc(Cc2nc(C[C@H]3CCC[NH2+]C3)no2)cc1 ZINC000063084729 526344688 /nfs/dbraw/zinc/34/46/88/526344688.db2.gz RRIAWXLMWSOAEF-GFCCVEGCSA-N 1 0 275.327 2.342 10 0 CEAERO Cc1nnc(SCc2[nH+]c(NN)ccc2Cl)o1 ZINC000061639990 526387578 /nfs/dbraw/zinc/38/75/78/526387578.db2.gz JNWYQSUYLFTHQN-UHFFFAOYSA-N 1 0 271.733 2.004 10 0 CEAERO c1c(CN2CC[NH2+]CC2)sc2c1CCCCC2 ZINC000052860960 526398165 /nfs/dbraw/zinc/39/81/65/526398165.db2.gz UXXPOEKFUXLXPH-UHFFFAOYSA-N 1 0 250.411 2.422 10 0 CEAERO c1ccc(C[C@H]2CN(Cc3ccccn3)CC[NH2+]2)cc1 ZINC000068694610 526476633 /nfs/dbraw/zinc/47/66/33/526476633.db2.gz YMYUYDZACADZOR-KRWDZBQOSA-N 1 0 267.376 2.098 10 0 CEAERO c1cn(-c2ncccc2C[NH2+]C2CC2)nc1C1CC1 ZINC000052885212 526527255 /nfs/dbraw/zinc/52/72/55/526527255.db2.gz ZFMASBBAMWTCAI-UHFFFAOYSA-N 1 0 254.337 2.397 10 0 CEAERO Cc1nc(-c2ccc(NC(=O)[C@@H](C)C[NH3+])cc2)co1 ZINC000054339077 526576999 /nfs/dbraw/zinc/57/69/99/526576999.db2.gz BGKFWEWTCLOZFX-VIFPVBQESA-N 1 0 259.309 2.183 10 0 CEAERO c1ncn(Cc2oc3ccccc3c2C[NH2+]C2CC2)n1 ZINC000052575211 526617711 /nfs/dbraw/zinc/61/77/11/526617711.db2.gz NQCIHOAALXRNBU-UHFFFAOYSA-N 1 0 268.320 2.325 10 0 CEAERO c1nnc(CC[C@@H]2CCCC[NH2+]2)n1-c1ccccc1 ZINC000054526689 526623032 /nfs/dbraw/zinc/62/30/32/526623032.db2.gz GZUGAEZLUFMTCI-ZDUSSCGKSA-N 1 0 256.353 2.342 10 0 CEAERO Cc1nc(C)c([C@@H](C)[NH2+]CCc2ccsc2)c(=O)[nH]1 ZINC000049153673 526745021 /nfs/dbraw/zinc/74/50/21/526745021.db2.gz MYZVOSLNVMCJGI-SECBINFHSA-N 1 0 277.393 2.342 10 0 CEAERO O=C(CN1CCC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000050499177 526746334 /nfs/dbraw/zinc/74/63/34/526746334.db2.gz OWTFIMHQUPOXDP-UHFFFAOYSA-N 1 0 287.190 2.471 10 0 CEAERO Cc1nc(C)n(Cc2ccccc2C[NH2+]C(C)C)n1 ZINC000052574508 526765461 /nfs/dbraw/zinc/76/54/61/526765461.db2.gz HCSFGMMSESHEBS-UHFFFAOYSA-N 1 0 258.369 2.441 10 0 CEAERO NC(=[NH2+])c1c(Cl)cccc1N1CCSCC1 ZINC000052904794 526819677 /nfs/dbraw/zinc/81/96/77/526819677.db2.gz SFJSXEGWFSLSDW-UHFFFAOYSA-N 1 0 255.774 2.177 10 0 CEAERO Cc1nc(CNC[C@@H]([NH3+])Cc2ccccc2)cs1 ZINC000049539025 526887602 /nfs/dbraw/zinc/88/76/02/526887602.db2.gz HJXBZKNXBRXRKQ-ZDUSSCGKSA-N 1 0 261.394 2.111 10 0 CEAERO Cc1nc(N(C)C[C@H]2CCCO2)sc1[C@@H](C)[NH3+] ZINC000054897363 526950327 /nfs/dbraw/zinc/95/03/27/526950327.db2.gz GDNSNZQRVNNVFI-PSASIEDQSA-N 1 0 255.387 2.086 10 0 CEAERO Cc1nc(N2CC[NH+](C(C)C)CC2)sc1[C@@H](C)O ZINC000054911178 526967522 /nfs/dbraw/zinc/96/75/22/526967522.db2.gz JPINUMQWCDQODV-LLVKDONJSA-N 1 0 269.414 2.035 10 0 CEAERO Cc1nc(N2CCOCC2(C)C)sc1[C@H](C)[NH3+] ZINC000054898402 526970436 /nfs/dbraw/zinc/97/04/36/526970436.db2.gz SFPPSLXKTDHDKV-QMMMGPOBSA-N 1 0 255.387 2.086 10 0 CEAERO Clc1nccc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)n1 ZINC000051849971 527010146 /nfs/dbraw/zinc/01/01/46/527010146.db2.gz KGHXJOORWKYIBL-NXEZZACHSA-N 1 0 252.749 2.169 10 0 CEAERO NC(=O)c1cc(Cl)ccc1N[C@@H]1CCCC[C@H]1[NH3+] ZINC000052858649 527026887 /nfs/dbraw/zinc/02/68/87/527026887.db2.gz VEAILMWPMLWPPA-ZYHUDNBSSA-N 1 0 267.760 2.121 10 0 CEAERO NC(=O)c1ccccc1C[NH2+]CCc1ccsc1 ZINC000049181555 527089766 /nfs/dbraw/zinc/08/97/66/527089766.db2.gz DKMRJBKSUBIWKP-UHFFFAOYSA-N 1 0 260.362 2.179 10 0 CEAERO NC(=S)C[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000055024553 527108393 /nfs/dbraw/zinc/10/83/93/527108393.db2.gz KAHJIFZLEPSRCZ-LBPRGKRZSA-N 1 0 266.435 2.453 10 0 CEAERO NC(=S)c1ccc(Cl)cc1OCC[NH+]1CCCC1 ZINC000062788707 527119252 /nfs/dbraw/zinc/11/92/52/527119252.db2.gz WNXADOBIAYWWQS-UHFFFAOYSA-N 1 0 284.812 2.449 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)N[C@@H]1CCc2ccccc21 ZINC000054306259 527119396 /nfs/dbraw/zinc/11/93/96/527119396.db2.gz YTUDCYHTBZIMLY-SWLSCSKDSA-N 1 0 258.365 2.180 10 0 CEAERO NC(=S)c1ccc(NCCC[NH+]2CCCC2)cc1 ZINC000062080435 527119881 /nfs/dbraw/zinc/11/98/81/527119881.db2.gz NXLIXOKJIVIVNX-UHFFFAOYSA-N 1 0 263.410 2.219 10 0 CEAERO [NH3+]CC1CCC(c2nc(-c3cccnc3)no2)CC1 ZINC000045894415 527165799 /nfs/dbraw/zinc/16/57/99/527165799.db2.gz JULOSHHOAVSJJN-UHFFFAOYSA-N 1 0 258.325 2.364 10 0 CEAERO [NH3+]CCCN(C(=O)c1ccc2ncccc2c1)C1CC1 ZINC000061410329 527178218 /nfs/dbraw/zinc/17/82/18/527178218.db2.gz IIZCYWQZFUHBHT-UHFFFAOYSA-N 1 0 269.348 2.188 10 0 CEAERO O=S(=O)(C[C@@H]1CCCC[NH2+]1)Nc1ccccc1Cl ZINC000049630826 527181260 /nfs/dbraw/zinc/18/12/60/527181260.db2.gz IHRYUZMKKCIGAF-JTQLQIEISA-N 1 0 288.800 2.224 10 0 CEAERO [NH3+]CCCc1nnc(-c2cccc3cccnc32)o1 ZINC000061439260 527183546 /nfs/dbraw/zinc/18/35/46/527183546.db2.gz BGHBWXUYJLTZOE-UHFFFAOYSA-N 1 0 254.293 2.176 10 0 CEAERO [NH3+]CCc1ccc(OCc2ncccn2)c(Cl)c1 ZINC000054461904 527196577 /nfs/dbraw/zinc/19/65/77/527196577.db2.gz BOMRMSBIEJVZCG-UHFFFAOYSA-N 1 0 263.728 2.210 10 0 CEAERO [NH3+]C[C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000061610674 527202377 /nfs/dbraw/zinc/20/23/77/527202377.db2.gz WIZMFXZKSUWBBV-OAHLLOKOSA-N 1 0 254.333 2.045 10 0 CEAERO [NH3+]C[C@@H](c1ccccc1)N(CCO)Cc1ccccc1 ZINC000050514003 527207891 /nfs/dbraw/zinc/20/78/91/527207891.db2.gz MOKWCORLJGXTTL-KRWDZBQOSA-N 1 0 270.376 2.181 10 0 CEAERO [NH3+]C[C@H](Cc1cc2ccccc2o1)C(=O)N1CCCC1 ZINC000068811104 527224885 /nfs/dbraw/zinc/22/48/85/527224885.db2.gz RDHRCOKJVREEHD-ZDUSSCGKSA-N 1 0 272.348 2.173 10 0 CEAERO Cn1cc(C[C@H]([NH3+])c2nccc3ccccc32)cn1 ZINC000069313694 527231991 /nfs/dbraw/zinc/23/19/91/527231991.db2.gz JFQYVQQJDBJHJI-AWEZNQCLSA-N 1 0 252.321 2.211 10 0 CEAERO [NH3+]Cc1cc(COc2cc(F)ccc2F)ccn1 ZINC000068751926 527247162 /nfs/dbraw/zinc/24/71/62/527247162.db2.gz NUPSNGHBFCGFCR-UHFFFAOYSA-N 1 0 250.248 2.398 10 0 CEAERO [NH3+]Cc1cc(F)c(-n2cc(Br)cn2)c(F)c1 ZINC000062719645 527248882 /nfs/dbraw/zinc/24/88/82/527248882.db2.gz BIBRKIQANHADFF-UHFFFAOYSA-N 1 0 288.095 2.372 10 0 CEAERO [NH3+]Cc1ccc(F)cc1CN1CCc2ccccc2C1=O ZINC000069402095 527254797 /nfs/dbraw/zinc/25/47/97/527254797.db2.gz ZFGZXJDKTIPVPR-UHFFFAOYSA-N 1 0 284.334 2.483 10 0 CEAERO [NH3+]Cc1ccc(F)cc1CS(=O)(=O)Cc1ccccc1 ZINC000069403928 527254885 /nfs/dbraw/zinc/25/48/85/527254885.db2.gz JBXQDEPCSLJXIP-UHFFFAOYSA-N 1 0 293.363 2.399 10 0 CEAERO NNc1cc(CN2CCCc3ccccc32)cc[nH+]1 ZINC000052723853 527273557 /nfs/dbraw/zinc/27/35/57/527273557.db2.gz PAUYEEBPJKJWMS-UHFFFAOYSA-N 1 0 254.337 2.320 10 0 CEAERO NNc1ccc(Cl)c(CSc2ncccn2)[nH+]1 ZINC000061640117 527280168 /nfs/dbraw/zinc/28/01/68/527280168.db2.gz QRTNVIHSWXUYTA-UHFFFAOYSA-N 1 0 267.745 2.103 10 0 CEAERO NNc1ccc(Cl)c(CN2C[C@H]3CC[C@@H]2C3)[nH+]1 ZINC000061631615 527280226 /nfs/dbraw/zinc/28/02/26/527280226.db2.gz LWABVHXOAHPPHO-DTWKUNHWSA-N 1 0 252.749 2.005 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@H]1NC(=O)c1ccc(F)cc1 ZINC000063211943 527341300 /nfs/dbraw/zinc/34/13/00/527341300.db2.gz WXNSHLRTRFGXEG-CHWSQXEVSA-N 1 0 250.317 2.216 10 0 CEAERO [NH3+][C@@H]1COc2cc(OCCOCC(F)(F)F)ccc21 ZINC000062803450 527376433 /nfs/dbraw/zinc/37/64/33/527376433.db2.gz ONFNBVCRXNRBGO-SNVBAGLBSA-N 1 0 277.242 2.037 10 0 CEAERO [NH3+][C@H]1CCCc2nc(N3CCCSCC3)sc21 ZINC000054898652 527410417 /nfs/dbraw/zinc/41/04/17/527410417.db2.gz NDOCBXKHBSWSBM-VIFPVBQESA-N 1 0 269.439 2.423 10 0 CEAERO O=c1c2ccsc2ncn1CC[NH2+]C(C1CC1)C1CC1 ZINC000053521932 527468216 /nfs/dbraw/zinc/46/82/16/527468216.db2.gz KTCSBIAJSLAJHZ-UHFFFAOYSA-N 1 0 289.404 2.236 10 0 CEAERO C(c1nc(C2CCCC2)no1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178676877 527495270 /nfs/dbraw/zinc/49/52/70/527495270.db2.gz OFWFICLGXYUXBM-CYBMUJFWSA-N 1 0 276.384 2.007 10 0 CEAERO O=C(Nc1nc2ccc(Cl)cc2s1)[C@H]1CC[NH2+]C1 ZINC000062112138 527514248 /nfs/dbraw/zinc/51/42/48/527514248.db2.gz SYTDUTCEDPZBSY-ZETCQYMHSA-N 1 0 281.768 2.498 10 0 CEAERO OCC1(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)CCOCC1 ZINC000052199440 527521910 /nfs/dbraw/zinc/52/19/10/527521910.db2.gz WYRYYEICPJUYEL-CABCVRRESA-N 1 0 267.413 2.430 10 0 CEAERO Nc1[nH+]c2ccc(F)c(F)c2n1CC[C@@H]1CCCO1 ZINC000053170243 527560919 /nfs/dbraw/zinc/56/09/19/527560919.db2.gz ZKMYRPFZTBVTFY-QMMMGPOBSA-N 1 0 267.279 2.466 10 0 CEAERO O[C@@H](C[NH2+]C12CC3CC(CC(C3)C1)C2)C(F)(F)F ZINC000068878465 527651848 /nfs/dbraw/zinc/65/18/48/527651848.db2.gz ZUFUIHPVYDLUAZ-CRCJWISWSA-N 1 0 263.303 2.468 10 0 CEAERO Cc1nn(C)c(N2CCOC(C)(C)C2)c1C[NH2+]CC(C)C ZINC000062736253 527675815 /nfs/dbraw/zinc/67/58/15/527675815.db2.gz IXGQABHFDBWLAS-UHFFFAOYSA-N 1 0 294.443 2.089 10 0 CEAERO COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCC[C@H]2O)cc1OC ZINC000250992764 536527712 /nfs/dbraw/zinc/52/77/12/536527712.db2.gz MOINZRXIXKFRKK-NWANDNLSSA-N 1 0 293.407 2.385 10 0 CEAERO CCOC(=O)C1CCC(O)(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC000190914913 528629591 /nfs/dbraw/zinc/62/95/91/528629591.db2.gz VTKYZCITNDSBEO-GCGBMVOASA-N 1 0 295.423 2.059 10 0 CEAERO CCOCC[N@@H+]1CCN(C(=O)C(CC)CC)C[C@@H]1CC ZINC000116769369 528734333 /nfs/dbraw/zinc/73/43/33/528734333.db2.gz CECLYPKOEDQJIO-HNNXBMFYSA-N 1 0 284.444 2.382 10 0 CEAERO CCOC[C@H](O)C[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000178713736 529008408 /nfs/dbraw/zinc/00/84/08/529008408.db2.gz RZRYFAQMVPBXOG-KBUPBQIOSA-N 1 0 257.418 2.434 10 0 CEAERO CCCC[C@H](COC)[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000089732746 535042814 /nfs/dbraw/zinc/04/28/14/535042814.db2.gz WOMNQFWYHGFCTK-LSDHHAIUSA-N 1 0 292.427 2.240 10 0 CEAERO CC(C)n1ncc2cc(C[NH2+]CCOCC(F)F)cnc21 ZINC000190888343 535138304 /nfs/dbraw/zinc/13/83/04/535138304.db2.gz JXHRHOPATMNDJR-UHFFFAOYSA-N 1 0 298.337 2.384 10 0 CEAERO C[NH2+][C@@H]1CCN([C@@H]2CCCC[C@@H]2O)c2ccccc21 ZINC000071325663 536377777 /nfs/dbraw/zinc/37/77/77/536377777.db2.gz RIVDYKOSIBVFJF-BMFZPTHFSA-N 1 0 260.381 2.461 10 0 CEAERO C[NH2+][C@H](C)[C@@H]1CCCN(c2nccc(C(F)(F)F)n2)C1 ZINC000081585723 536406429 /nfs/dbraw/zinc/40/64/29/536406429.db2.gz MEDDMUKQNVZZNP-NXEZZACHSA-N 1 0 288.317 2.320 10 0 CEAERO C[NH2+][C@H](C)[C@H]1CCCN(c2ncnc3ccccc32)C1 ZINC000111716913 536406528 /nfs/dbraw/zinc/40/65/28/536406528.db2.gz YDMKMKAOLRINIX-OLZOCXBDSA-N 1 0 270.380 2.454 10 0 CEAERO CC(C)(C)[NH2+]C[C@H](O)COc1cccc2c1CCC[C@@H]2O ZINC000005352917 560201389 /nfs/dbraw/zinc/20/13/89/560201389.db2.gz LGXDICLRWHYEIS-WFASDCNBSA-N 1 0 293.407 2.184 10 0 in-vitro CEAERO CC[C@H]1CN(c2nc3ccccc3n2C)CC[C@H]1[NH3+] ZINC000251734180 574508355 /nfs/dbraw/zinc/50/83/55/574508355.db2.gz KOBKYMUYRJIAAM-NWDGAFQWSA-N 1 0 258.369 2.137 10 0 CEAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@@H]1c1cnc(Cl)s1 ZINC000757191369 574512003 /nfs/dbraw/zinc/51/20/03/574512003.db2.gz URAOFYSFDXTHKF-JGVFFNPUSA-N 1 0 288.800 2.441 10 0 CEAERO C[C@H](O)[C@H](C)N(C(=O)OC(C)(C)C)c1ccc(C[NH3+])nc1 ZINC000757136016 574510101 /nfs/dbraw/zinc/51/01/01/574510101.db2.gz XYBHCVUAVYFMHS-QWRGUYRKSA-N 1 0 295.383 2.051 10 0 CEAERO COc1ncc([C@@H]2NCCc3sccc32)s1 ZINC000397154456 570289993 /nfs/dbraw/zinc/28/99/93/570289993.db2.gz MPDFECDFRVSEIT-SNVBAGLBSA-N 1 0 252.364 2.448 10 0 CEAERO [NH3+][C@H]1C[C@H](C(F)(F)F)S(=O)(=O)c2ccc(Cl)cc21 ZINC000675059434 570365392 /nfs/dbraw/zinc/36/53/92/570365392.db2.gz ILTJYJXTBFTPLV-IONNQARKSA-N 1 0 299.701 2.448 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@@]2(C)CC[NH2+]C2)cc1F ZINC000094956450 625326013 /nfs/dbraw/zinc/32/60/13/625326013.db2.gz LYWPUKUCOKMRRJ-NHYWBVRUSA-N 1 0 264.344 2.311 10 0 CEAERO C/C=C(/C)C[NH+]1CCC(CNC(=O)c2cc(C)n[nH]2)CC1 ZINC000096723461 625598238 /nfs/dbraw/zinc/59/82/38/625598238.db2.gz HIPAKSUOVLSLHD-QCDXTXTGSA-N 1 0 290.411 2.126 10 0 CEAERO CCOC(=O)[C@H]1CCC[N@H+](C[C@](C)(O)c2ccccc2)C1 ZINC000051953708 625614723 /nfs/dbraw/zinc/61/47/23/625614723.db2.gz OCYDAJIDGPWTGV-YOEHRIQHSA-N 1 0 291.391 2.169 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCCOC(C)(C)C ZINC000674907903 623351700 /nfs/dbraw/zinc/35/17/00/623351700.db2.gz GGAPCNHNOKKGML-ZIAGYGMSSA-N 1 0 254.418 2.360 10 0 CEAERO Cc1ccc(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)c(Br)c1 ZINC000235632892 625680422 /nfs/dbraw/zinc/68/04/22/625680422.db2.gz XROMCGHARCTACQ-CABZTGNLSA-N 1 0 297.196 2.177 10 0 CEAERO C[C@H]1CN(C(=O)c2c(Cl)cccc2Cl)C[C@@H]1[NH3+] ZINC000235639603 625687180 /nfs/dbraw/zinc/68/71/80/625687180.db2.gz RASCLEYQUOHYIT-XVKPBYJWSA-N 1 0 273.163 2.413 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000234429837 624027422 /nfs/dbraw/zinc/02/74/22/624027422.db2.gz INNVOQWZWHHMDS-MRVPVSSYSA-N 1 0 275.274 2.435 10 0 CEAERO C[C@H]1CN(Cc2ccc(F)cc2Br)C[C@@H]1[NH3+] ZINC000235656845 625697706 /nfs/dbraw/zinc/69/77/06/625697706.db2.gz HETMPIFJEUDUPZ-UFBFGSQYSA-N 1 0 287.176 2.367 10 0 CEAERO Cc1ccc(OC[C@H](C)NC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000091539586 624756069 /nfs/dbraw/zinc/75/60/69/624756069.db2.gz ABPLKBBIJOLMBG-MJBXVCDLSA-N 1 0 276.380 2.006 10 0 CEAERO COc1ccc([C@H](C)[NH2+]C2CSC2)cc1OC ZINC000396434677 628226306 /nfs/dbraw/zinc/22/63/06/628226306.db2.gz LJXBRWSNFPHQOX-VIFPVBQESA-N 1 0 253.367 2.470 10 0 CEAERO COc1cc(Cl)c(C)cc1NC(=O)C1CC([NH3+])C1 ZINC000258822939 628773497 /nfs/dbraw/zinc/77/34/97/628773497.db2.gz VIHQBKBMMGDOPE-UHFFFAOYSA-N 1 0 268.744 2.333 10 0 CEAERO CO[C@@H](C[NH3+])c1cc(Br)c(C)s1 ZINC000227984346 628919935 /nfs/dbraw/zinc/91/99/35/628919935.db2.gz HCQVYUCLFBIBCK-ZETCQYMHSA-N 1 0 250.161 2.465 10 0 CEAERO C[NH2+][C@@H](C)CNc1ccc(Br)c(C)n1 ZINC000261529752 628934865 /nfs/dbraw/zinc/93/48/65/628934865.db2.gz UZYLKZKPWOAFOH-ZETCQYMHSA-N 1 0 258.163 2.172 10 0 CEAERO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(F)cc3F)C[C@H]12 ZINC000261582286 628941687 /nfs/dbraw/zinc/94/16/87/628941687.db2.gz RDELJZMNDFDFHX-DUFXMDAXSA-N 1 0 252.308 2.134 10 0 CEAERO COc1ncc(Cl)c(NCC2([NH3+])CCCCC2)n1 ZINC000261588933 628942087 /nfs/dbraw/zinc/94/20/87/628942087.db2.gz VXTJTFXEKBBTRB-UHFFFAOYSA-N 1 0 270.764 2.212 10 0 CEAERO CCc1cc(CC)nc(N2CCC[C@H](CC[NH3+])C2)n1 ZINC000261595078 628942379 /nfs/dbraw/zinc/94/23/79/628942379.db2.gz NVMAMYATMLLGAE-GFCCVEGCSA-N 1 0 262.401 2.167 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000236891810 628984227 /nfs/dbraw/zinc/98/42/27/628984227.db2.gz SNAYGKUIVCCNQE-VBNZEHGJSA-N 1 0 274.408 2.497 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)c1csc(-c2ccccc2C)n1 ZINC000261735171 629170516 /nfs/dbraw/zinc/17/05/16/629170516.db2.gz LXTPFGAHXYKWSU-NSHDSACASA-N 1 0 289.404 2.456 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)c1ccc(OC)c2ccccc12 ZINC000261742532 629175500 /nfs/dbraw/zinc/17/55/00/629175500.db2.gz MQZXMIQNGLWYHH-NSHDSACASA-N 1 0 272.348 2.186 10 0 CEAERO C[C@@H](C[NH3+])c1noc(CCCc2cccs2)n1 ZINC000054158593 629262001 /nfs/dbraw/zinc/26/20/01/629262001.db2.gz ZMMYVFUUONVQDI-VIFPVBQESA-N 1 0 251.355 2.369 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)c1sccc1SC(F)F ZINC000261866582 629287794 /nfs/dbraw/zinc/28/77/94/629287794.db2.gz ZBFUPWLWNOOSMY-ZCFIWIBFSA-N 1 0 280.365 2.401 10 0 CEAERO CCCCCCNC(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000057790384 629347601 /nfs/dbraw/zinc/34/76/01/629347601.db2.gz RLZMNBKSMTYMQN-ZDUSSCGKSA-N 1 0 255.406 2.350 10 0 CEAERO C[C@H]([NH3+])C1CCN(c2ccc(OC(F)F)cn2)CC1 ZINC000262203638 630083937 /nfs/dbraw/zinc/08/39/37/630083937.db2.gz KRWGFLHCEFRGLG-VIFPVBQESA-N 1 0 271.311 2.247 10 0 CEAERO O[C@H]1CCC[C@H]([NH2+]Cc2cccc3c2NCCC3)C1 ZINC000163310989 631185879 /nfs/dbraw/zinc/18/58/79/631185879.db2.gz IBNYGKWQMRUNTD-GJZGRUSLSA-N 1 0 260.381 2.438 10 0 CEAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@H]1c1ccccc1F ZINC000757185656 631829898 /nfs/dbraw/zinc/82/98/98/631829898.db2.gz XQYPBYADXIDMHB-RYUDHWBXSA-N 1 0 265.328 2.470 10 0 CEAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(Cl)s1 ZINC000757185968 631830133 /nfs/dbraw/zinc/83/01/33/631830133.db2.gz CKZHDQSKPLASLE-YUMQZZPRSA-N 1 0 259.758 2.268 10 0 CEAERO CCOC(=O)CCc1nc([C@@]2([NH3+])CC(C)(C)C[C@@H]2C)no1 ZINC000757183836 631830433 /nfs/dbraw/zinc/83/04/33/631830433.db2.gz SAUCJQBXYWXFNF-ZUZCIYMTSA-N 1 0 295.383 2.175 10 0 CEAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@H]1c1ccsc1 ZINC000757185993 631830455 /nfs/dbraw/zinc/83/04/55/631830455.db2.gz CTNSBKSNAKIKKQ-QWRGUYRKSA-N 1 0 253.367 2.393 10 0 CEAERO [NH3+][C@H]1CCCN(C(=O)c2ccc3ccccc3c2)C1 ZINC000041028227 632368119 /nfs/dbraw/zinc/36/81/19/632368119.db2.gz ZYYYVVDXPDZJOE-HNNXBMFYSA-N 1 0 254.333 2.403 10 0 CEAERO Cc1ccnc(NCC2([NH3+])CC2)c1Br ZINC000900409851 633707255 /nfs/dbraw/zinc/70/72/55/633707255.db2.gz ZBZLOFPMGQOZNY-UHFFFAOYSA-N 1 0 256.147 2.056 10 0 CEAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1cccc2c1NCCC2 ZINC000163376795 635161719 /nfs/dbraw/zinc/16/17/19/635161719.db2.gz IUKAHLUUJGWRHD-ZFWWWQNUSA-N 1 0 260.381 2.295 10 0 CEAERO Cc1csc2c1ncnc2N1CC[C@@H](CC[NH3+])C1 ZINC000222405528 639378888 /nfs/dbraw/zinc/37/88/88/639378888.db2.gz ZSVMMJMYWMBRBM-SNVBAGLBSA-N 1 0 262.382 2.175 10 0 CEAERO C[NH2+]CCc1noc(-c2cccc(F)c2Cl)n1 ZINC000165482591 639433340 /nfs/dbraw/zinc/43/33/40/639433340.db2.gz SXDXHZUGTUGQOY-UHFFFAOYSA-N 1 0 255.680 2.291 10 0 CEAERO COc1cc(-c2noc([C@@H]3C[NH2+]C[C@H]3C)n2)ccc1F ZINC000225483624 639498537 /nfs/dbraw/zinc/49/85/37/639498537.db2.gz ZREGPNIULBBYFJ-PSASIEDQSA-N 1 0 277.299 2.207 10 0 CEAERO CCCCCC[N@@H+]1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000157988143 639557646 /nfs/dbraw/zinc/55/76/46/639557646.db2.gz UBBLNQQWSDXKOR-OAHLLOKOSA-N 1 0 265.401 2.473 10 0 CEAERO C[C@]1(CN2CCO[C@@H]3CCCC[C@H]32)CCC[NH2+]C1 ZINC000227141802 639573857 /nfs/dbraw/zinc/57/38/57/639573857.db2.gz HGALWXJVSFPCNF-KFWWJZLASA-N 1 0 252.402 2.020 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCOc2ccccc21 ZINC000227326106 639583647 /nfs/dbraw/zinc/58/36/47/639583647.db2.gz HITRAWVUMOUOFM-GZBFAFLISA-N 1 0 288.391 2.392 10 0 CEAERO COC(=O)[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@@H]1C ZINC000228273931 639627192 /nfs/dbraw/zinc/62/71/92/639627192.db2.gz WXAMCMMMQUEAPZ-GXSJLCMTSA-N 1 0 269.291 2.206 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]2CN(c3ncccc3Br)C[C@H]21 ZINC000228549711 639641912 /nfs/dbraw/zinc/64/19/12/639641912.db2.gz OBHDJNDXSOCLNG-CKYFFXLPSA-N 1 0 296.212 2.408 10 0 CEAERO [NH3+]CC[C@@H]1CCCN(c2nc(C(F)(F)F)ns2)C1 ZINC000228790236 639658564 /nfs/dbraw/zinc/65/85/64/639658564.db2.gz CXQQDGPDMJGKLJ-ZETCQYMHSA-N 1 0 280.319 2.122 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(F)cc1 ZINC000061884363 639727292 /nfs/dbraw/zinc/72/72/92/639727292.db2.gz UVMXTVXUIVGHTJ-CABZTGNLSA-N 1 0 251.305 2.075 10 0 CEAERO Fc1cc(F)cc(Cc2noc([C@@H]3CC[NH2+]C3)n2)c1 ZINC000062119708 639736422 /nfs/dbraw/zinc/73/64/22/639736422.db2.gz ZUBIHLSZPXPRPY-SECBINFHSA-N 1 0 265.263 2.016 10 0 CEAERO CC(C)Cc1nnc(NC(=O)[C@@H]2CCCC[C@@H]2C[NH3+])s1 ZINC000230295843 639754621 /nfs/dbraw/zinc/75/46/21/639754621.db2.gz VAJPDYHTFGIIQR-GHMZBOCLSA-N 1 0 296.440 2.440 10 0 CEAERO Fc1ccc(Cc2nc(C[C@@H]3CCC[NH2+]C3)no2)cc1 ZINC000063084728 639823377 /nfs/dbraw/zinc/82/33/77/639823377.db2.gz RRIAWXLMWSOAEF-LBPRGKRZSA-N 1 0 275.327 2.342 10 0 CEAERO c1ccc2c(c1)O[C@@H](c1noc([C@@H]3CC[NH2+]C3)n1)CS2 ZINC000232479204 639925170 /nfs/dbraw/zinc/92/51/70/639925170.db2.gz TTZBPUYLNSFUNP-MWLCHTKSSA-N 1 0 289.360 2.372 10 0 CEAERO COc1ccccc1OCC[N@@H+]1CCC[C@H](C(C)=O)C1 ZINC000088402074 639968804 /nfs/dbraw/zinc/96/88/04/639968804.db2.gz IRINORDZUOOTQO-AWEZNQCLSA-N 1 0 277.364 2.375 10 0 CEAERO COC1CC([NH2+]Cc2cccc(O)c2Br)C1 ZINC000314998995 640237230 /nfs/dbraw/zinc/23/72/30/640237230.db2.gz HNKDFKXCXZZZCL-UHFFFAOYSA-N 1 0 286.169 2.422 10 0 CEAERO Cn1c2ccccc2n(CN2CC[C@H]([NH+](C)C)C2)c1=S ZINC000170843371 641339957 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C[NH2+][C@H]1CCC[C@H]1[S@](=O)Cc1ccccc1C ZINC000081997292 177916283 /nfs/dbraw/zinc/91/62/83/177916283.db2.gz RAQSYVVZXNUPCL-VBQJREDUSA-N 1 0 251.395 2.384 10 0 CEAERO O[C@@H]1CCCC[C@H]1[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000124549009 187142803 /nfs/dbraw/zinc/14/28/03/187142803.db2.gz AJMOYKCTSFIHLO-SOUVJXGZSA-N 1 0 253.386 2.181 10 0 CEAERO CCCc1nc(CS(C)(=O)=O)sc1C[NH2+]C(C)C ZINC000082427887 178003411 /nfs/dbraw/zinc/00/34/11/178003411.db2.gz SLGZZLXRTNUAIT-UHFFFAOYSA-N 1 0 290.454 2.138 10 0 CEAERO Brc1ccc(NCC[C@H]2CC[NH2+]C2)nc1 ZINC000082487572 178056804 /nfs/dbraw/zinc/05/68/04/178056804.db2.gz OUQBMSOKVXJOFE-SECBINFHSA-N 1 0 270.174 2.256 10 0 CEAERO OC[C@@H]1C[N@H+](C[C@@H]2CCCC2(F)F)CCC1(F)F ZINC000336266710 365541898 /nfs/dbraw/zinc/54/18/98/365541898.db2.gz HKPGPKMQIJYIOC-UWVGGRQHSA-N 1 0 269.282 2.371 10 0 CEAERO COCC[C@H](C)[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000124661118 187147899 /nfs/dbraw/zinc/14/78/99/187147899.db2.gz DBIXAQXTYKXXTL-XQLPTFJDSA-N 1 0 255.402 2.427 10 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2.305 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](O)c1ccc(Br)cc1F ZINC000036779258 361856428 /nfs/dbraw/zinc/85/64/28/361856428.db2.gz MBVCZYYNKRJSCG-ZJUUUORDSA-N 1 0 262.122 2.359 10 0 CEAERO CC[C@H]([NH3+])[C@@H](O)c1ccc(F)c(Br)c1 ZINC000036779113 361857189 /nfs/dbraw/zinc/85/71/89/361857189.db2.gz VZSDSJIZCRMLRL-UWVGGRQHSA-N 1 0 262.122 2.359 10 0 CEAERO CCC[C@H]([NH3+])C(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000036872766 361866266 /nfs/dbraw/zinc/86/62/66/361866266.db2.gz PISLPRHBKDUXCS-VIFPVBQESA-N 1 0 286.759 2.423 10 0 CEAERO CN(C)c1ccc(C(=O)Nc2cccc(C[NH3+])c2)cc1 ZINC000036906692 361870884 /nfs/dbraw/zinc/87/08/84/361870884.db2.gz MXYDZLXWZPTILR-UHFFFAOYSA-N 1 0 269.348 2.464 10 0 CEAERO Cc1cc(N2CCN(C=O)CC2)c2cccc(C)c2[nH+]1 ZINC000037408006 361903466 /nfs/dbraw/zinc/90/34/66/361903466.db2.gz OMMNVEWDAYDNOD-UHFFFAOYSA-N 1 0 269.348 2.130 10 0 CEAERO Cn1cnc([C@@H]([NH3+])Cc2ccccc2Br)c1 ZINC000096978556 185145473 /nfs/dbraw/zinc/14/54/73/185145473.db2.gz KXVFIUXGBRUACU-NSHDSACASA-N 1 0 280.169 2.425 10 0 CEAERO Fc1cc(Br)ccc1-n1cncc1C1C[NH2+]C1 ZINC000097009154 185150875 /nfs/dbraw/zinc/15/08/75/185150875.db2.gz QKZDGQGGERSSIE-UHFFFAOYSA-N 1 0 296.143 2.461 10 0 CEAERO COc1ccc(C[NH2+][C@H]2CCC[C@@H](O)C2)cc1F ZINC000037758158 361929841 /nfs/dbraw/zinc/92/98/41/361929841.db2.gz DAHKYIBIWJHHQA-NWDGAFQWSA-N 1 0 253.317 2.227 10 0 CEAERO CCC1CCC(CNC(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000037905342 361962703 /nfs/dbraw/zinc/96/27/03/361962703.db2.gz YEWHFFGSLRUTGE-RUXDESIVSA-N 1 0 252.402 2.319 10 0 CEAERO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1nccnc1C ZINC000621718984 349676314 /nfs/dbraw/zinc/67/63/14/349676314.db2.gz YXZHBINTGBMVQZ-LSDHHAIUSA-N 1 0 274.412 2.234 10 0 CEAERO OCCN(Cc1ccccc1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000725241645 539190247 /nfs/dbraw/zinc/19/02/47/539190247.db2.gz KOQAZGJRBWABER-IAGOWNOFSA-N 1 0 274.408 2.108 10 0 CEAERO Cc1cc2nc(C3CC[NH2+]CC3)nn2c(Cl)c1 ZINC000725243356 539190796 /nfs/dbraw/zinc/19/07/96/539190796.db2.gz YTSLPSNDJMDEQC-UHFFFAOYSA-N 1 0 250.733 2.158 10 0 CEAERO CCCCNC(=O)N[C@@H]1CC[NH2+]CC[C@H]1C(F)(F)F ZINC000725262861 539211718 /nfs/dbraw/zinc/21/17/18/539211718.db2.gz PSOLQUWLOLBJDV-NXEZZACHSA-N 1 0 281.322 2.016 10 0 CEAERO CC(C)(C)NC(=O)N1CCC[C@H]([C@]23CC[C@@H]2CC[NH2+]3)C1 ZINC000725263447 539212213 /nfs/dbraw/zinc/21/22/13/539212213.db2.gz HAQDBQQYQKLMGY-WWGRRREGSA-N 1 0 279.428 2.349 10 0 CEAERO C[C@H](O)C[N@H+](C)[C@@H](C)c1cnn(CC2CCC2)c1 ZINC000725264117 539212457 /nfs/dbraw/zinc/21/24/57/539212457.db2.gz DBFUTZLCJMNTJC-RYUDHWBXSA-N 1 0 251.374 2.057 10 0 CEAERO CC(C)n1ccnc1C[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000124994181 539212513 /nfs/dbraw/zinc/21/25/13/539212513.db2.gz CIJUTSYOOMHNNG-CHWSQXEVSA-N 1 0 251.374 2.105 10 0 CEAERO C[C@@H](c1cnn(CC2CCC2)c1)N1CC[NH2+]C[C@H]1C ZINC000725264206 539212594 /nfs/dbraw/zinc/21/25/94/539212594.db2.gz GOWBTFXDWVFLOU-OLZOCXBDSA-N 1 0 262.401 2.038 10 0 CEAERO C[C@@H](c1cnn(CC2CCC2)c1)[N@@H+]1CCC[C@@H](CO)C1 ZINC000725264279 539212598 /nfs/dbraw/zinc/21/25/98/539212598.db2.gz GZHCVUONMPDRKC-DZGCQCFKSA-N 1 0 277.412 2.449 10 0 CEAERO CC[N@H+](CCO)[C@@H](C)c1cnn(CC2CCC2)c1 ZINC000725264482 539212918 /nfs/dbraw/zinc/21/29/18/539212918.db2.gz PZJFMFITDGIRHN-LBPRGKRZSA-N 1 0 251.374 2.058 10 0 CEAERO CCC(C)(C)NC(=O)N[C@@H]1CCCC12CC[NH2+]CC2 ZINC000725265123 539213158 /nfs/dbraw/zinc/21/31/58/539213158.db2.gz HMYYDTFHTZUKND-GFCCVEGCSA-N 1 0 267.417 2.397 10 0 CEAERO CCC[C@@H]1C[C@H]2CC[C@@H]([NH+]3CCOCC3)[C@@H](C1)C2=O ZINC000725268123 539214109 /nfs/dbraw/zinc/21/41/09/539214109.db2.gz ABALYXMNAXJHQG-KBUPBQIOSA-N 1 0 265.397 2.493 10 0 CEAERO C[C@H](C(=O)N1CCC2(CC1)C[NH2+]C[C@H](C)O2)C(C)(C)C ZINC000725271322 539215243 /nfs/dbraw/zinc/21/52/43/539215243.db2.gz CFUPHRNMFADUSR-QWHCGFSZSA-N 1 0 282.428 2.038 10 0 CEAERO CCc1cccc(S(=O)(=O)N[C@H]2CCC[N@@H+](CC)C2)c1 ZINC000176842328 529548075 /nfs/dbraw/zinc/54/80/75/529548075.db2.gz RXEHFAZFIACIBX-AWEZNQCLSA-N 1 0 296.436 2.012 10 0 CEAERO Cc1nc(CC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c(C)s1 ZINC000126091450 187215855 /nfs/dbraw/zinc/21/58/55/187215855.db2.gz UJJOLZHSVIKEBP-IINYFYTJSA-N 1 0 295.452 2.147 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@H](C)c2cccc(F)c2F)C1 ZINC000300414586 539249911 /nfs/dbraw/zinc/24/99/11/539249911.db2.gz MTQRGLHKUZIHAI-VXGBXAGGSA-N 1 0 284.350 2.336 10 0 CEAERO [NH3+]C1(CC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000398084985 539261235 /nfs/dbraw/zinc/26/12/35/539261235.db2.gz LPHDRLBDKXXTBU-RKDXNWHRSA-N 1 0 264.291 2.105 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]1)N[C@@H]1CCCc2ccccc21 ZINC000042166313 362065596 /nfs/dbraw/zinc/06/55/96/362065596.db2.gz WYNCGNOKVQEUNZ-DZGCQCFKSA-N 1 0 258.365 2.322 10 0 CEAERO CC[C@H]([NH3+])c1nc2cc(Br)cnc2[nH]1 ZINC000043460911 362145696 /nfs/dbraw/zinc/14/56/96/362145696.db2.gz NWHBCVBAHLWRHT-LURJTMIESA-N 1 0 255.119 2.130 10 0 CEAERO COc1ccc([C@@H](N)C[NH3+])cc1OCc1ccccc1 ZINC000044469126 362153850 /nfs/dbraw/zinc/15/38/50/362153850.db2.gz ZMTMTUNRTBGCSZ-AWEZNQCLSA-N 1 0 272.348 2.233 10 0 CEAERO C[NH+](C)[C@@H]1CCCC[C@@H]1OC(=O)c1ccc(N)cc1O ZINC000033875445 343418485 /nfs/dbraw/zinc/41/84/85/343418485.db2.gz DYZKHUPHFRSPBJ-OCCSQVGLSA-N 1 0 278.352 2.004 10 0 CEAERO CC(C)[C@H]([NH3+])C(=O)N[C@H](C)c1cc(F)ccc1F ZINC000037007652 343425018 /nfs/dbraw/zinc/42/50/18/343425018.db2.gz FDENTWSHIPLFMJ-PELKAZGASA-N 1 0 256.296 2.125 10 0 CEAERO CCN(CC)c1ncc(C[NH2+][C@H]2CCC[C@H](O)C2)s1 ZINC000037321085 343426725 /nfs/dbraw/zinc/42/67/25/343426725.db2.gz FVTODKCMJLCJDD-RYUDHWBXSA-N 1 0 283.441 2.382 10 0 CEAERO COc1ccc([C@H](C)[NH2+]Cc2cn[nH]c2)cc1OC ZINC000038005895 343432932 /nfs/dbraw/zinc/43/29/32/343432932.db2.gz SEPBYXUQOTXCES-JTQLQIEISA-N 1 0 261.325 2.278 10 0 CEAERO COc1ccnc2[nH]c([C@@H](C[NH3+])O[C@H]3CCCCO3)cc21 ZINC000038341350 343434235 /nfs/dbraw/zinc/43/42/35/343434235.db2.gz ZYRVRQJQZZWLSI-KGLIPLIRSA-N 1 0 291.351 2.115 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CC[C@H](c2ccccc2)C1 ZINC000228231008 539325936 /nfs/dbraw/zinc/32/59/36/539325936.db2.gz DIMQPQRBXIRWHX-JYJNAYRXSA-N 1 0 272.392 2.378 10 0 CEAERO O[C@H](COCc1ccccc1)C[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000336710777 365773854 /nfs/dbraw/zinc/77/38/54/365773854.db2.gz KVRBJFDPNWUHQK-PMPSAXMXSA-N 1 0 261.365 2.048 10 0 CEAERO CCN1CCC[C@H]([NH2+]Cc2cccc(OC)c2F)C1 ZINC000192672407 539328190 /nfs/dbraw/zinc/32/81/90/539328190.db2.gz SUTVGHGRVUAOJW-ZDUSSCGKSA-N 1 0 266.360 2.408 10 0 CEAERO CS[C@@H]1CCC[C@@H](NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000601971741 346947131 /nfs/dbraw/zinc/94/71/31/346947131.db2.gz DZTSCAONCRDGBQ-JLNYLFASSA-N 1 0 282.453 2.167 10 0 CEAERO Cc1nc(C)c(C[N@@H+]2CCC[C@H]2CCCO)s1 ZINC000336714519 365778393 /nfs/dbraw/zinc/77/83/93/365778393.db2.gz TXYLDCNQSKAXEC-LBPRGKRZSA-N 1 0 254.399 2.497 10 0 CEAERO CO[C@@H](C)C[N@H+](C[C@H](O)COCc1ccccc1)C(C)C ZINC000336716380 365779642 /nfs/dbraw/zinc/77/96/42/365779642.db2.gz PEDNUPVSKMTQTJ-RDJZCZTQSA-N 1 0 295.423 2.309 10 0 CEAERO C[NH2+]C[C@@H]1CCCN1c1cccc(C(F)(F)F)n1 ZINC000053704040 290697472 /nfs/dbraw/zinc/69/74/72/290697472.db2.gz JLVWYXLGGDCXHG-VIFPVBQESA-N 1 0 259.275 2.289 10 0 CEAERO COc1cc(C)c(C[N@@H+]2CC[C@@H](CCO)C2)cc1OC ZINC000128037867 187347466 /nfs/dbraw/zinc/34/74/66/187347466.db2.gz IETFAFXLEVEXKV-ZDUSSCGKSA-N 1 0 279.380 2.217 10 0 CEAERO [NH3+]C[C@H](c1ccccc1Br)[C@H](O)C(F)(F)F ZINC000083565048 178581221 /nfs/dbraw/zinc/58/12/21/178581221.db2.gz MLOAOSWWQSKCKG-APPZFPTMSA-N 1 0 298.102 2.415 10 0 CEAERO CCOC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)c1 ZINC000126972310 187273729 /nfs/dbraw/zinc/27/37/29/187273729.db2.gz KERKZXYEWOVCHW-FZMZJTMJSA-N 1 0 290.363 2.190 10 0 CEAERO CC(C)[C@@H](C[NH3+])C(=O)Nc1ncc(Br)s1 ZINC000083604327 178612416 /nfs/dbraw/zinc/61/24/16/178612416.db2.gz CRCWQNQOYXTGBT-ZCFIWIBFSA-N 1 0 292.202 2.075 10 0 CEAERO COc1ccc2c(c1)[C@]13CC[NH2+][C@H](C2)[C@@H]1[C@H](C)CC(=O)C3 ZINC000078683804 343961439 /nfs/dbraw/zinc/96/14/39/343961439.db2.gz LQJCBPXZVSYWRL-QXNHNSEWSA-N 1 0 285.387 2.466 10 0 CEAERO COC(=O)C[C@@H]([NH3+])c1ccc(OC(F)(F)F)c(F)c1 ZINC000095638169 344237553 /nfs/dbraw/zinc/23/75/53/344237553.db2.gz YQALVSABRJFXRO-MRVPVSSYSA-N 1 0 281.205 2.287 10 0 CEAERO CC1(C)C(C[NH2+]C[C@@H](O)COCc2ccco2)C1(C)C ZINC000092816407 344204571 /nfs/dbraw/zinc/20/45/71/344204571.db2.gz HIVOVEZSMJOKNN-GFCCVEGCSA-N 1 0 281.396 2.429 10 0 CEAERO Cc1cc(C(=[NH2+])NO)cc(C)c1OC[C@@H]1COC(C)(C)O1 ZINC000113877302 344278087 /nfs/dbraw/zinc/27/80/87/344278087.db2.gz MMRYKVHWWGFOFW-GFCCVEGCSA-N 1 0 294.351 2.138 10 0 CEAERO CCCc1cc(N2CC[NH2+]CC2)nc(C(C)(C)C)n1 ZINC000117033450 344287887 /nfs/dbraw/zinc/28/78/87/344287887.db2.gz BTAKRXXDPHBOAH-UHFFFAOYSA-N 1 0 262.401 2.136 10 0 CEAERO COc1ccc(C[C@H](C)[NH2+]CCn2cc(C)cn2)cc1 ZINC000124030319 344313008 /nfs/dbraw/zinc/31/30/08/344313008.db2.gz PETREHGFMHLJNV-AWEZNQCLSA-N 1 0 273.380 2.421 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]Cc2ccc3ncccc3c2)C1 ZINC000134437530 344374272 /nfs/dbraw/zinc/37/42/72/344374272.db2.gz BSDXNWQAPCHQGM-INIZCTEOSA-N 1 0 285.391 2.045 10 0 CEAERO CCc1ccc(C[NH2+]C[C@H]2CN(CC)CCO2)cc1 ZINC000134435487 344374394 /nfs/dbraw/zinc/37/43/94/344374394.db2.gz UYAPOANUMODGFM-INIZCTEOSA-N 1 0 262.397 2.059 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]Cc2ccc(OC)c(Cl)c2)C1 ZINC000135178977 344380060 /nfs/dbraw/zinc/38/00/60/344380060.db2.gz QYCREIKIQNSTTN-ZDUSSCGKSA-N 1 0 298.814 2.159 10 0 CEAERO COC(=O)c1ccc(F)c(NC(=O)[C@@]2(C)CCCC[NH2+]2)c1 ZINC000136153756 344384111 /nfs/dbraw/zinc/38/41/11/344384111.db2.gz HSWQKQBCNYVKHT-OAHLLOKOSA-N 1 0 294.326 2.083 10 0 CEAERO CC[NH+](CC)CC[C@@H](C)NS(=O)(=O)c1ccccc1 ZINC000141502372 344401018 /nfs/dbraw/zinc/40/10/18/344401018.db2.gz JULUJICFQAOLDA-CYBMUJFWSA-N 1 0 284.425 2.085 10 0 CEAERO C[NH2+]Cc1ccccc1[C@H](O)c1ccc(OC)cc1 ZINC000142740062 344404099 /nfs/dbraw/zinc/40/40/99/344404099.db2.gz IZLSFHWOHNIULG-MRXNPFEDSA-N 1 0 257.333 2.496 10 0 CEAERO Clc1cnc(Cl)nc1NC[C@@H]1CCC[NH2+]C1 ZINC000144158123 344406694 /nfs/dbraw/zinc/40/66/94/344406694.db2.gz QJJJWHRWGCKMNX-SSDOTTSWSA-N 1 0 261.156 2.195 10 0 CEAERO CC(C)(C)OC(=O)CC[C@@H](N)C(=O)OCc1ccccc1 ZINC000144381041 344407374 /nfs/dbraw/zinc/40/73/74/344407374.db2.gz NIMSPPYFNNQHCP-CYBMUJFWSA-N 1 0 293.363 2.179 10 0 CEAERO Fc1ccc(CC2(F)C[NH2+]C2)cc1Br ZINC000158116112 344450505 /nfs/dbraw/zinc/45/05/05/344450505.db2.gz DQCFKYOBRFDFPF-UHFFFAOYSA-N 1 0 262.097 2.442 10 0 CEAERO CN1c2ccc(F)cc2-c2ccccc2[C@H]([NH3+])C1=O ZINC000165136626 344473777 /nfs/dbraw/zinc/47/37/77/344473777.db2.gz UQRJMODLLANWSE-AWEZNQCLSA-N 1 0 256.280 2.469 10 0 CEAERO C[C@H]([NH3+])c1csc(I)c1 ZINC000169244340 344481615 /nfs/dbraw/zinc/48/16/15/344481615.db2.gz KIKSQUIFUBBHNP-BYPYZUCNSA-N 1 0 253.108 2.372 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)COc2cccc3ccccc32)C1 ZINC000170861774 344491692 /nfs/dbraw/zinc/49/16/92/344491692.db2.gz IVCFKNOEVUAHIE-OAHLLOKOSA-N 1 0 298.386 2.381 10 0 CEAERO CS[C@@H]1CCC[C@H](NC(=O)C[C@@H]([NH3+])C(C)C)C1 ZINC000225811987 344548100 /nfs/dbraw/zinc/54/81/00/344548100.db2.gz KFVHMGWGZHPTAN-QJPTWQEYSA-N 1 0 258.431 2.150 10 0 CEAERO C[C@]1(C(=O)Nc2ccc3ncsc3c2)CCC[NH2+]1 ZINC000227423496 344553068 /nfs/dbraw/zinc/55/30/68/344553068.db2.gz MAQWUPISKOXUMN-CYBMUJFWSA-N 1 0 261.350 2.377 10 0 CEAERO [NH3+][C@H](CO)c1cc(Br)c(Cl)s1 ZINC000227937488 344557519 /nfs/dbraw/zinc/55/75/19/344557519.db2.gz KZMHLOHKGSOCOG-SCSAIBSYSA-N 1 0 256.552 2.156 10 0 CEAERO Cc1cn2c([nH+]1)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]12 ZINC000236046060 344593960 /nfs/dbraw/zinc/59/39/60/344593960.db2.gz CUVXARSSEWRYMN-VXGBXAGGSA-N 1 0 292.383 2.415 10 0 CEAERO CC1(C)CCC[NH2+][C@@H]1CN1C(=O)c2ccccc2C1=O ZINC000232898450 344579981 /nfs/dbraw/zinc/57/99/81/344579981.db2.gz WYXPWRBWRUOPTI-CYBMUJFWSA-N 1 0 272.348 2.061 10 0 CEAERO c1ccc2nc(OCC[C@H]3CCC[NH2+]C3)cnc2c1 ZINC000052018329 362460408 /nfs/dbraw/zinc/46/04/08/362460408.db2.gz OONCKFPMWIFCAX-GFCCVEGCSA-N 1 0 257.337 2.398 10 0 CEAERO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1CCCO)c1cccs1 ZINC000052762066 362473361 /nfs/dbraw/zinc/47/33/61/362473361.db2.gz KSRJOXKTPUOXMQ-CHWSQXEVSA-N 1 0 296.436 2.162 10 0 CEAERO C[NH2+][C@H]1CCCN(c2ncccc2Br)C1 ZINC000053204667 362487568 /nfs/dbraw/zinc/48/75/68/362487568.db2.gz PSZRCXSYKYWEJN-VIFPVBQESA-N 1 0 270.174 2.032 10 0 CEAERO [NH3+]Cc1c(Br)cncc1OC(F)(F)F ZINC000238590136 344606887 /nfs/dbraw/zinc/60/68/87/344606887.db2.gz OELSPCYFZCMKHT-UHFFFAOYSA-N 1 0 271.036 2.201 10 0 CEAERO C[C@@H]1CCC[C@H](N(C)C(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000251917045 344638058 /nfs/dbraw/zinc/63/80/58/344638058.db2.gz UKHWISLTTAZPBY-MCIONIFRSA-N 1 0 252.402 2.413 10 0 CEAERO C[C@H]1CC(NC(=O)C[C@H]2CCC[NH2+]C2)C[C@H](C)C1 ZINC000252188234 344638448 /nfs/dbraw/zinc/63/84/48/344638448.db2.gz UPKFWGORSPJLAV-JHJVBQTASA-N 1 0 252.402 2.317 10 0 CEAERO C[C@@H]1CCCC[C@H]1CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000252110522 344638675 /nfs/dbraw/zinc/63/86/75/344638675.db2.gz HSAFKODWMLXJRT-MCIONIFRSA-N 1 0 252.402 2.319 10 0 CEAERO NC(=O)CCC[NH2+]Cc1cc(Cl)ccc1Cl ZINC000083697541 178697234 /nfs/dbraw/zinc/69/72/34/178697234.db2.gz JSONTPJMJAYYPG-UHFFFAOYSA-N 1 0 261.152 2.349 10 0 CEAERO C[C@H]1CN(Cc2cscc2Br)C[C@@H]1[NH3+] ZINC000307634722 344723795 /nfs/dbraw/zinc/72/37/95/344723795.db2.gz QCOWHOQBYDHIIK-XVKPBYJWSA-N 1 0 275.215 2.290 10 0 CEAERO C[C@@H]1CCC[C@H]1C[NH2+]C[C@H](O)COCc1ccco1 ZINC000300309648 344699345 /nfs/dbraw/zinc/69/93/45/344699345.db2.gz PZEGHMRDMGYXLH-RDBSUJKOSA-N 1 0 267.369 2.183 10 0 CEAERO C[C@@H](Nc1ccc(I)cc1)[C@H](C)[NH3+] ZINC000306231111 344712564 /nfs/dbraw/zinc/71/25/64/344712564.db2.gz BTEPXRRSJUDCBY-JGVFFNPUSA-N 1 0 290.148 2.439 10 0 CEAERO Cc1cc([C@@H](C)NC(N)=[NH2+])sc1Br ZINC000306574063 344714684 /nfs/dbraw/zinc/71/46/84/344714684.db2.gz IOECTOSPUJOTCI-RXMQYKEDSA-N 1 0 262.176 2.363 10 0 CEAERO COc1cc(Br)c2c(c1)C[C@@H](C)[NH2+]C2 ZINC000306669447 344716176 /nfs/dbraw/zinc/71/61/76/344716176.db2.gz LBOVDFMWALZKOE-SSDOTTSWSA-N 1 0 256.143 2.492 10 0 CEAERO Cc1ncccc1C[N@H+](C)C[C@H]1CCc2nccn2C1 ZINC000328645208 344757955 /nfs/dbraw/zinc/75/79/55/344757955.db2.gz SCRBGTAALXAKDK-CQSZACIVSA-N 1 0 270.380 2.281 10 0 CEAERO CCc1nc(CN(C)C(=O)[C@@H]2CCC[C@H]([NH3+])C2)cs1 ZINC000328298803 344755169 /nfs/dbraw/zinc/75/51/69/344755169.db2.gz CXFIAPOVLIIKFU-MNOVXSKESA-N 1 0 281.425 2.181 10 0 CEAERO [NH3+][C@H](Cc1ccc(F)cc1Br)[C@@H]1CCOC1 ZINC000083716438 178723154 /nfs/dbraw/zinc/72/31/54/178723154.db2.gz SORQVXGWDMDNLP-BXKDBHETSA-N 1 0 288.160 2.495 10 0 CEAERO CC[C@@H]1CN(c2nc(C)c(C#N)cc2Cl)CC[C@@H]1[NH3+] ZINC000381912968 344825688 /nfs/dbraw/zinc/82/56/88/344825688.db2.gz TVNVKUKRTKNUFF-MFKMUULPSA-N 1 0 278.787 2.479 10 0 CEAERO Cc1cc(C)c(C[NH2+][C@@H]2CCCN(CCO)C2)c(C)c1 ZINC000384426105 344828304 /nfs/dbraw/zinc/82/83/04/344828304.db2.gz ULJKWJJYNGXIAE-MRXNPFEDSA-N 1 0 276.424 2.158 10 0 CEAERO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)NCCCc1ccccc1 ZINC000386002613 344830874 /nfs/dbraw/zinc/83/08/74/344830874.db2.gz NWJHSJFDNQOKPS-KRWDZBQOSA-N 1 0 298.386 2.011 10 0 CEAERO C[C@@H]([NH2+]C[C@@H](O)c1ccc2ccccc2c1)[C@H](C)O ZINC000386851905 344832426 /nfs/dbraw/zinc/83/24/26/344832426.db2.gz CZLDEKXATTUFML-BFQNTYOBSA-N 1 0 259.349 2.232 10 0 CEAERO CCOc1cc(C[NH3+])cc(Br)c1OCOC ZINC000083748705 178741603 /nfs/dbraw/zinc/74/16/03/178741603.db2.gz UUYSVEYKTNLOFV-UHFFFAOYSA-N 1 0 290.157 2.289 10 0 CEAERO Cc1nn(CC2(CC[NH3+])CC2)c(C)c1Br ZINC000083853776 178754046 /nfs/dbraw/zinc/75/40/46/178754046.db2.gz HZPMRCNTTRFTHK-UHFFFAOYSA-N 1 0 272.190 2.391 10 0 CEAERO C[C@H]([NH2+]C1CCN(CCO)CC1)c1ccc(Cl)cc1 ZINC000399009667 344856156 /nfs/dbraw/zinc/85/61/56/344856156.db2.gz WRWAUYDCFFWIMP-LBPRGKRZSA-N 1 0 282.815 2.447 10 0 CEAERO C[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2F)C[NH2+]1 ZINC000398959302 344856318 /nfs/dbraw/zinc/85/63/18/344856318.db2.gz LATHDXCRRULWDD-IUCAKERBSA-N 1 0 253.277 2.286 10 0 CEAERO C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2F)C[NH2+]1 ZINC000398959300 344856342 /nfs/dbraw/zinc/85/63/42/344856342.db2.gz LATHDXCRRULWDD-BDAKNGLRSA-N 1 0 253.277 2.286 10 0 CEAERO Cn1cncc1CC[NH2+]Cc1ccnc2ccccc12 ZINC000401800305 344869907 /nfs/dbraw/zinc/86/99/07/344869907.db2.gz MIMWRMQKRBKIRN-UHFFFAOYSA-N 1 0 266.348 2.301 10 0 CEAERO CC(C)(C)c1csc(CN2CC[C@H]3OCC[NH2+][C@@H]3C2)n1 ZINC000403985953 344878029 /nfs/dbraw/zinc/87/80/29/344878029.db2.gz CBNQILSRHSNGNC-VXGBXAGGSA-N 1 0 295.452 2.003 10 0 CEAERO CCCC[N@H+](C)CC1CCN(S(=O)(=O)CCC)CC1 ZINC000083927348 178765194 /nfs/dbraw/zinc/76/51/94/178765194.db2.gz MLYMZVGSYCADSN-UHFFFAOYSA-N 1 0 290.473 2.170 10 0 CEAERO COCC[S@](=O)C[C@H]([NH3+])c1ccc2ccccc2c1 ZINC000084035261 178774660 /nfs/dbraw/zinc/77/46/60/178774660.db2.gz QOIHOCXERMBFSO-HNAYVOBHSA-N 1 0 277.389 2.235 10 0 CEAERO COc1ccc([C@@H](O)[C@@H](C)[NH+]2CCCC2)cc1OC ZINC000584621119 344967223 /nfs/dbraw/zinc/96/72/23/344967223.db2.gz YPVVPFCGHPFNTN-ABAIWWIYSA-N 1 0 265.353 2.222 10 0 CEAERO Cc1cc(-n2ncc3cc(Cl)nc(CO)c32)cc[nH+]1 ZINC000584620020 344967357 /nfs/dbraw/zinc/96/73/57/344967357.db2.gz ZAYCFBDPXJHGTG-UHFFFAOYSA-N 1 0 274.711 2.270 10 0 CEAERO CC[C@](C)(O)c1nc([C@@H]2CC[C@@H](C)[NH2+]C2)oc1C ZINC000584636036 344970656 /nfs/dbraw/zinc/97/06/56/344970656.db2.gz RMLCIEBYRUWMTN-UDZFHETQSA-N 1 0 252.358 2.456 10 0 CEAERO [NH3+]CCc1nnc(Cc2cccc(Cl)c2)s1 ZINC000084117659 178795547 /nfs/dbraw/zinc/79/55/47/178795547.db2.gz TWDBZPFDDSNDNB-UHFFFAOYSA-N 1 0 253.758 2.284 10 0 CEAERO CCC[NH2+]CCCc1nnc(CCSC)s1 ZINC000084118202 178795588 /nfs/dbraw/zinc/79/55/88/178795588.db2.gz IAHSAQLZRAYDOX-UHFFFAOYSA-N 1 0 259.444 2.376 10 0 CEAERO CCOc1ccc(C[C@@H](C)C[NH2+]CCOC)cc1 ZINC000084141263 178800326 /nfs/dbraw/zinc/80/03/26/178800326.db2.gz GSZFVAOFHJIRLA-CYBMUJFWSA-N 1 0 251.370 2.500 10 0 CEAERO CSc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000053815959 362499025 /nfs/dbraw/zinc/49/90/25/362499025.db2.gz DFJSGMUKOOVCEJ-CQSZACIVSA-N 1 0 278.421 2.461 10 0 CEAERO [NH3+]C1(Cc2nncn2-c2ccccc2)CCCCC1 ZINC000084146068 178802902 /nfs/dbraw/zinc/80/29/02/178802902.db2.gz BDAGTPFVTWLHGD-UHFFFAOYSA-N 1 0 256.353 2.471 10 0 CEAERO CCN(CC)C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000054002677 362503237 /nfs/dbraw/zinc/50/32/37/362503237.db2.gz WVPJFOSCDVUOIY-AWEZNQCLSA-N 1 0 263.385 2.341 10 0 CEAERO COc1ccc(NC(=O)CC2([NH3+])CCCC2)cc1OC ZINC000084162360 178810658 /nfs/dbraw/zinc/81/06/58/178810658.db2.gz NNWBWCUTHZILEV-UHFFFAOYSA-N 1 0 278.352 2.304 10 0 CEAERO C[NH2+][C@H](C)C(=O)Nc1ccc2oc(C(C)C)nc2c1 ZINC000054074157 362508505 /nfs/dbraw/zinc/50/85/05/362508505.db2.gz LAUDPLPGXUGXFN-SECBINFHSA-N 1 0 261.325 2.498 10 0 CEAERO C[NH2+][C@H](C)C(=O)N(C)Cc1cc(Br)cs1 ZINC000054075206 362510754 /nfs/dbraw/zinc/51/07/54/362510754.db2.gz AALVOEJRVKXJID-SSDOTTSWSA-N 1 0 291.214 2.077 10 0 CEAERO O[C@@H](C[NH2+]CCC1=CCCCC1)COCC1CC1 ZINC000055378645 362550007 /nfs/dbraw/zinc/55/00/07/362550007.db2.gz VBIYUABDXKMMQK-HNNXBMFYSA-N 1 0 253.386 2.254 10 0 CEAERO COc1ccc(N(C)C(=O)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000054292523 362523046 /nfs/dbraw/zinc/52/30/46/362523046.db2.gz MKTXCLDVBVYAQL-LBPRGKRZSA-N 1 0 262.353 2.048 10 0 CEAERO Cc1ncsc1CNC(=O)CC1([NH3+])CCCCC1 ZINC000084186833 178820456 /nfs/dbraw/zinc/82/04/56/178820456.db2.gz FBDKCCRHTJRWDO-UHFFFAOYSA-N 1 0 267.398 2.119 10 0 CEAERO COc1ccc(CC2([NH3+])CC2)cc1Br ZINC000084198736 178823223 /nfs/dbraw/zinc/82/32/23/178823223.db2.gz OKAANXVLLPXSCU-UHFFFAOYSA-N 1 0 256.143 2.492 10 0 CEAERO O=C(CC[N@H+]1CC[C@@H](CCO)C1)c1ccc(F)cc1 ZINC000128759675 365804558 /nfs/dbraw/zinc/80/45/58/365804558.db2.gz BMQPMTWHHNHIJQ-LBPRGKRZSA-N 1 0 265.328 2.103 10 0 CEAERO C[C@H](CC[NH3+])S(=O)(=O)c1ccc2ccccc2c1 ZINC000084270631 178837083 /nfs/dbraw/zinc/83/70/83/178837083.db2.gz BTNPCLFXSKLLFK-LLVKDONJSA-N 1 0 263.362 2.351 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1S(=O)(=O)c1cc(F)ccc1F ZINC000084270698 178837354 /nfs/dbraw/zinc/83/73/54/178837354.db2.gz FQJOQEHEKUKDGK-JOYOIKCWSA-N 1 0 289.347 2.256 10 0 CEAERO CS(=O)(=O)Cc1ccc(-c2ccccc2C[NH3+])cc1 ZINC000084272065 178838161 /nfs/dbraw/zinc/83/81/61/178838161.db2.gz GVZCWBFPLOVFOK-UHFFFAOYSA-N 1 0 275.373 2.357 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1S(=O)(=O)C1CCCCC1 ZINC000084271592 178838328 /nfs/dbraw/zinc/83/83/28/178838328.db2.gz KHMNCYGURVRIFB-AAEUAGOBSA-N 1 0 259.415 2.251 10 0 CEAERO C[C@H]1CCC[C@H](S(=O)(=O)[C@@H](CC[NH3+])C(F)(F)F)C1 ZINC000084272194 178838860 /nfs/dbraw/zinc/83/88/60/178838860.db2.gz URAZINYMMOQGLM-GUBZILKMSA-N 1 0 287.347 2.260 10 0 CEAERO Cc1cccc(CS(=O)(=O)CCCCC[NH3+])c1 ZINC000084272229 178838915 /nfs/dbraw/zinc/83/89/15/178838915.db2.gz KFMWTNIZDWYDLA-UHFFFAOYSA-N 1 0 255.383 2.039 10 0 CEAERO CCOCC[C@@H]([NH2+]C)c1ccc2c(c1)OCCO2 ZINC000097077741 185521862 /nfs/dbraw/zinc/52/18/62/185521862.db2.gz VAUPKXGMSHFIQU-GFCCVEGCSA-N 1 0 251.326 2.145 10 0 CEAERO CC[NH2+][C@@](C)(C[C@@H](C)[NH+]1CCCCCCC1)C(=O)[O-] ZINC000084296281 178848446 /nfs/dbraw/zinc/84/84/46/178848446.db2.gz YGINZJBOUJNCBV-HIFRSBDPSA-N 1 0 270.417 2.484 10 0 CEAERO C[NH2+][C@](C)(C[C@H](C)Sc1ccccc1OC)C(N)=O ZINC000084351710 178863984 /nfs/dbraw/zinc/86/39/84/178863984.db2.gz QEXYULBJYUOIAO-IINYFYTJSA-N 1 0 282.409 2.029 10 0 CEAERO CCOc1ccccc1[C@H]([NH3+])c1cc(CC)nn1C ZINC000097131649 185542519 /nfs/dbraw/zinc/54/25/19/185542519.db2.gz NAAIZVPKDARXNA-HNNXBMFYSA-N 1 0 259.353 2.429 10 0 CEAERO C[NH2+][C@H](C)C[C@@H](C)S(=O)(=O)c1ccc(C)cc1 ZINC000084356289 178867678 /nfs/dbraw/zinc/86/76/78/178867678.db2.gz ALBLRMMXRUHSTB-VXGBXAGGSA-N 1 0 255.383 2.155 10 0 CEAERO C[C@H](NC(=O)COC1CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000111796637 232198565 /nfs/dbraw/zinc/19/85/65/232198565.db2.gz OQQVNZMHRUCZFV-NSHDSACASA-N 1 0 296.798 2.286 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cc2ccccc2[nH]1 ZINC000229588173 539472405 /nfs/dbraw/zinc/47/24/05/539472405.db2.gz NPCPMHKKJMYDCS-CMPLNLGQSA-N 1 0 257.337 2.038 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H](S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000084430088 178885656 /nfs/dbraw/zinc/88/56/56/178885656.db2.gz AZWJUXVIFKMWJA-NXEZZACHSA-N 1 0 275.320 2.008 10 0 CEAERO CC[NH2+][C@H]1CC[C@H](S(=O)(=O)c2ccccc2F)C1 ZINC000084433212 178886838 /nfs/dbraw/zinc/88/68/38/178886838.db2.gz NFNSOXFVMZYBCQ-QWRGUYRKSA-N 1 0 271.357 2.130 10 0 CEAERO CCC[NH2+][C@@H](c1cccnc1OC)[C@H]1CCOC1 ZINC000097182226 185557848 /nfs/dbraw/zinc/55/78/48/185557848.db2.gz FRJVPHDZJYEWMR-WCQYABFASA-N 1 0 250.342 2.167 10 0 CEAERO CCNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000057879754 362599372 /nfs/dbraw/zinc/59/93/72/362599372.db2.gz WUGYQXKQCXSVBS-GFCCVEGCSA-N 1 0 291.395 2.306 10 0 CEAERO Cc1nn(C)c(C[C@](C)(O)C[NH2+]C(C)(C)C)c1Cl ZINC000097210625 185564958 /nfs/dbraw/zinc/56/49/58/185564958.db2.gz VWEFXFLTBPXYFQ-ZDUSSCGKSA-N 1 0 273.808 2.064 10 0 CEAERO C[NH2+][C@H](CC[C@H]1CCCO1)c1cnn(-c2ccccc2)n1 ZINC000097238553 185571044 /nfs/dbraw/zinc/57/10/44/185571044.db2.gz CEGBJLLRIXYMPX-HUUCEWRRSA-N 1 0 286.379 2.487 10 0 CEAERO C[NH2+][C@@H](C[C@@H]1CCS(=O)(=O)C1)c1ccc(C)s1 ZINC000097280931 185579144 /nfs/dbraw/zinc/57/91/44/185579144.db2.gz BKBXQGKBMQAHNG-QWRGUYRKSA-N 1 0 273.423 2.142 10 0 CEAERO CCC[NH2+][C@@H](C[C@H]1CCS(=O)(=O)C1)c1cnccc1C ZINC000097301588 185580767 /nfs/dbraw/zinc/58/07/67/185580767.db2.gz PNSANOSAYSDPPN-HIFRSBDPSA-N 1 0 296.436 2.256 10 0 CEAERO CCC[NH2+][C@@H](CC[C@@H](C)OC)Cc1cc(C)nn1C ZINC000097273202 185575749 /nfs/dbraw/zinc/57/57/49/185575749.db2.gz PJIDAIDGYLYGTO-KGLIPLIRSA-N 1 0 267.417 2.454 10 0 CEAERO CCc1nn(C)c(C[C@@H]([NH3+])c2snnc2C)c1Cl ZINC000097276321 185577137 /nfs/dbraw/zinc/57/71/37/185577137.db2.gz ZNKNRTVUABMQHC-SSDOTTSWSA-N 1 0 285.804 2.038 10 0 CEAERO CCCOCC[C@@H](Cc1cc(CC)nn1C)[NH2+]CC ZINC000097276854 185577253 /nfs/dbraw/zinc/57/72/53/185577253.db2.gz YHNXUKZOZHVUIK-AWEZNQCLSA-N 1 0 267.417 2.320 10 0 CEAERO CCc1cc(C[C@@H]([NH3+])CC[C@@H](C)OC)n(CC)n1 ZINC000097279961 185577854 /nfs/dbraw/zinc/57/78/54/185577854.db2.gz OVUOAEIOVBYHKW-NEPJUHHUSA-N 1 0 253.390 2.150 10 0 CEAERO CCc1cc(C[C@H]([NH2+]C)c2cnc(C)cn2)n(CC)n1 ZINC000097279780 185578115 /nfs/dbraw/zinc/57/81/15/185578115.db2.gz MNRFMWFEUUZGKQ-AWEZNQCLSA-N 1 0 273.384 2.067 10 0 CEAERO CCn1ncnc1C[C@H](CCc1cccc(C)c1)[NH2+]C ZINC000097280387 185578312 /nfs/dbraw/zinc/57/83/12/185578312.db2.gz KSLXMPJGASVUQE-HNNXBMFYSA-N 1 0 272.396 2.370 10 0 CEAERO CCn1nc(C)cc1C[C@H]([NH2+]C)c1cccnc1C ZINC000097281320 185578913 /nfs/dbraw/zinc/57/89/13/185578913.db2.gz IZJOUBJVISIQFL-HNNXBMFYSA-N 1 0 258.369 2.418 10 0 CEAERO CCC[NH2+][C@H](COC(C)C)Cc1c(C)nn(C)c1C ZINC000097311641 185584984 /nfs/dbraw/zinc/58/49/84/185584984.db2.gz QUMYDFNSYZHSPO-AWEZNQCLSA-N 1 0 267.417 2.373 10 0 CEAERO Cc1nn(C)c(C)c1C[C@H]([NH3+])[C@@H]1CCOC2(CCC2)C1 ZINC000097306866 185582328 /nfs/dbraw/zinc/58/23/28/185582328.db2.gz BIGXYBGQXOBPSO-HIFRSBDPSA-N 1 0 277.412 2.256 10 0 CEAERO CCc1nnsc1[C@H]([NH2+]C)[C@@H]1CCc2cccnc21 ZINC000097305176 185582471 /nfs/dbraw/zinc/58/24/71/185582471.db2.gz LRMNETOQZAFFGK-ZWNOBZJWSA-N 1 0 274.393 2.486 10 0 CEAERO CC(C)CCn1cccc1CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000128257338 187359962 /nfs/dbraw/zinc/35/99/62/187359962.db2.gz SHTJUPLAXAFAMW-KRWDZBQOSA-N 1 0 293.455 2.297 10 0 CEAERO Clc1cc(NC2=[NH+]CCN2)ccc1Br ZINC000232195054 539494867 /nfs/dbraw/zinc/49/48/67/539494867.db2.gz QWDBFYOGIFROJN-UHFFFAOYSA-N 1 0 274.549 2.474 10 0 CEAERO [NH3+][C@H](CCc1ccco1)Cc1cn2ccsc2n1 ZINC000097349606 185588058 /nfs/dbraw/zinc/58/80/58/185588058.db2.gz CBGBGUZNBOVACQ-SNVBAGLBSA-N 1 0 261.350 2.491 10 0 CEAERO CC[NH2+][C@@H](Cc1ccn(C)n1)c1snnc1C(C)(C)C ZINC000097353696 185588234 /nfs/dbraw/zinc/58/82/34/185588234.db2.gz ICSOQHKNOQBWOC-NSHDSACASA-N 1 0 293.440 2.462 10 0 CEAERO COc1ccc([C@@H](C)NC(=O)CC(C)(C)[NH3+])cc1OC ZINC000084183791 539501300 /nfs/dbraw/zinc/50/13/00/539501300.db2.gz PQFJLMJDFGIGLC-SNVBAGLBSA-N 1 0 280.368 2.008 10 0 CEAERO Cc1nc(C[C@H]2CCC[N@H+](CCOCC3CC3)C2)no1 ZINC000172771258 232273080 /nfs/dbraw/zinc/27/30/80/232273080.db2.gz GBGZQPSGYRUOGF-CQSZACIVSA-N 1 0 279.384 2.059 10 0 CEAERO Cn1cc([C@H]2CCC[N@@H+]2C[C@@](C)(O)c2ccccc2)cn1 ZINC000173654736 232281011 /nfs/dbraw/zinc/28/10/11/232281011.db2.gz SEDGXKLXADLYML-IAGOWNOFSA-N 1 0 285.391 2.465 10 0 CEAERO Cc1nc(C)c(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)o1 ZINC000173722949 232282184 /nfs/dbraw/zinc/28/21/84/232282184.db2.gz MDFHHLSQDPCOIH-AWEZNQCLSA-N 1 0 287.363 2.324 10 0 CEAERO COC(=O)C[C@@](C)(c1ccc(OC)cc1)C(C)(C)[NH3+] ZINC000097433575 185602877 /nfs/dbraw/zinc/60/28/77/185602877.db2.gz FFLMFYSAVKGXIU-HNNXBMFYSA-N 1 0 265.353 2.253 10 0 CEAERO CC[C@H]([NH3+])[C@@H](CCO)c1cnn(-c2ccccc2)c1 ZINC000097435286 185603428 /nfs/dbraw/zinc/60/34/28/185603428.db2.gz QVDOGLUOZYNFNJ-GJZGRUSLSA-N 1 0 259.353 2.076 10 0 CEAERO CCC[NH2+][C@H](c1cnnn1CCC)c1cc(C)nnc1C ZINC000097418989 185600020 /nfs/dbraw/zinc/60/00/20/185600020.db2.gz KNUMUTTXJURLGJ-HNNXBMFYSA-N 1 0 288.399 2.184 10 0 CEAERO C[NH2+][C@H](c1cccc2c1OCCO2)[C@@H](C)CCOC ZINC000097424675 185601182 /nfs/dbraw/zinc/60/11/82/185601182.db2.gz LDZNRPRHLRGDAZ-FZMZJTMJSA-N 1 0 265.353 2.391 10 0 CEAERO COC(=O)C[C@@H](c1ccnc2ccccc21)[C@@H](C)[NH3+] ZINC000097430939 185601757 /nfs/dbraw/zinc/60/17/57/185601757.db2.gz GZQGBVZUJBAKNK-ZWNOBZJWSA-N 1 0 258.321 2.229 10 0 CEAERO COC(=O)CC[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000085133072 178954332 /nfs/dbraw/zinc/95/43/32/178954332.db2.gz RERKPACNSSFCEF-DTWKUNHWSA-N 1 0 253.264 2.260 10 0 CEAERO CC[NH2+][C@@H](CCc1nccn1C)CC[C@@H](C)OC ZINC000097451882 185607910 /nfs/dbraw/zinc/60/79/10/185607910.db2.gz MGKGTYKWEXKJMD-CHWSQXEVSA-N 1 0 253.390 2.146 10 0 CEAERO CCOC(=O)CCC[NH2+]Cc1ccn([C@H](C)CC)n1 ZINC000085174894 178963079 /nfs/dbraw/zinc/96/30/79/178963079.db2.gz OBWZOTRBIMEVTB-GFCCVEGCSA-N 1 0 267.373 2.287 10 0 CEAERO C[C@H]1C[C@@H]([NH3+])CN(c2ncccc2C(F)(F)F)C1 ZINC000094553659 136514004 /nfs/dbraw/zinc/51/40/04/136514004.db2.gz RFTSOTYLCSTZOR-DTWKUNHWSA-N 1 0 259.275 2.274 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCCc2ccccc21 ZINC000094646929 136514250 /nfs/dbraw/zinc/51/42/50/136514250.db2.gz QITQYFZBXLPBOZ-TZMCWYRMSA-N 1 0 258.365 2.354 10 0 CEAERO CCC[NH2+]C[C@H]1CCCCN1c1ccc2nccnc2n1 ZINC000094727090 136514523 /nfs/dbraw/zinc/51/45/23/136514523.db2.gz YOGMEQRXASQFBO-CYBMUJFWSA-N 1 0 285.395 2.383 10 0 CEAERO C[C@H]([NH3+])C1CCN(c2ncnc3c2CCCCC3)CC1 ZINC000094887104 136514799 /nfs/dbraw/zinc/51/47/99/136514799.db2.gz FGLVPFKDAMAJKE-LBPRGKRZSA-N 1 0 274.412 2.309 10 0 CEAERO CC[NH2+][C@@H](C)c1ccnc(N2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000095000249 136515132 /nfs/dbraw/zinc/51/51/32/136515132.db2.gz DSQDNMVBYSFKIX-FPMFFAJLSA-N 1 0 261.369 2.120 10 0 CEAERO C[C@@H](O)c1ccccc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000094461885 136513318 /nfs/dbraw/zinc/51/33/18/136513318.db2.gz BEHUNRGZPMFCSB-BFHYXJOUSA-N 1 0 260.381 2.413 10 0 CEAERO CC(C)([C@H](NN)[C@@H]1CCCc2cccnc21)[NH+]1CCCC1 ZINC000097581426 185630075 /nfs/dbraw/zinc/63/00/75/185630075.db2.gz ZIJVYBYOFYPSDY-GDBMZVCRSA-N 1 0 288.439 2.208 10 0 CEAERO C[NH2+][C@@](CO)(COC1CCCCC1)c1ccccc1 ZINC000085282679 179000390 /nfs/dbraw/zinc/00/03/90/179000390.db2.gz SKQUUUSMFDGQAK-INIZCTEOSA-N 1 0 263.381 2.443 10 0 CEAERO CC[NH2+][C@](CO)(COc1c(C)cccc1C)C1CC1 ZINC000085283176 179000665 /nfs/dbraw/zinc/00/06/65/179000665.db2.gz UPDGISQSVROKNL-MRXNPFEDSA-N 1 0 263.381 2.433 10 0 CEAERO CCOc1ccc(OCC[C@H](CO)[NH2+]C(C)C)cc1 ZINC000085283372 179001562 /nfs/dbraw/zinc/00/15/62/179001562.db2.gz SXFYTXYEOHUNJE-CYBMUJFWSA-N 1 0 267.369 2.213 10 0 CEAERO Cc1ccc(C)c(OC[C@@](C)(CO)[NH2+]C(C)C)c1 ZINC000085284569 179002092 /nfs/dbraw/zinc/00/20/92/179002092.db2.gz UKNYBUJEIRLCEP-OAHLLOKOSA-N 1 0 251.370 2.431 10 0 CEAERO Cc1cccc(OC[C@@]([NH3+])(CO)c2ccccc2)c1 ZINC000085284892 179002592 /nfs/dbraw/zinc/00/25/92/179002592.db2.gz DFKYSQSSNXOGMV-INIZCTEOSA-N 1 0 257.333 2.220 10 0 CEAERO C[NH2+][C@](C)(CO)CCCCOc1ccc(F)cc1 ZINC000085285170 179002706 /nfs/dbraw/zinc/00/27/06/179002706.db2.gz YXYPTSKRTJXIPT-AWEZNQCLSA-N 1 0 255.333 2.345 10 0 CEAERO C[NH2+][C@@](C)(CO)C[C@@H](C)Oc1ccc(C)c(C)c1 ZINC000085284672 179002752 /nfs/dbraw/zinc/00/27/52/179002752.db2.gz ZUPFAKSNHPYBAD-UKRRQHHQSA-N 1 0 251.370 2.431 10 0 CEAERO C[NH2+][C@@](CO)(CO[C@@H]1CC[C@@H](C)[C@@H](C)C1)C1CC1 ZINC000085287037 179004585 /nfs/dbraw/zinc/00/45/85/179004585.db2.gz XLNJQMBDRHWRNF-OSRDXIQISA-N 1 0 255.402 2.188 10 0 CEAERO CC(C)N(CCCC[C@](C)(O)C[NH3+])CC(F)(F)F ZINC000085300599 179009822 /nfs/dbraw/zinc/00/98/22/179009822.db2.gz XCUAQXRUTYPAJA-NSHDSACASA-N 1 0 270.339 2.139 10 0 CEAERO CCC[NH2+][C@](C)(CO)C[C@@H](C)Sc1ccncn1 ZINC000085289962 179006103 /nfs/dbraw/zinc/00/61/03/179006103.db2.gz KLSDLZDYRLWFQU-YPMHNXCESA-N 1 0 269.414 2.098 10 0 CEAERO CCC[NH2+][C@](C)(CO)C[C@H](C)SCCCOC ZINC000085290046 179006373 /nfs/dbraw/zinc/00/63/73/179006373.db2.gz KUIBQGIEHWRZJT-STQMWFEESA-N 1 0 263.447 2.285 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)C[C@H](C)SC1CCOCC1 ZINC000085290172 179006498 /nfs/dbraw/zinc/00/64/98/179006498.db2.gz ZQEJFOSUQXTVMX-JSGCOSHPSA-N 1 0 275.458 2.426 10 0 CEAERO COc1cccc(SC[C@H](CO)[NH2+]C(C)C)c1 ZINC000085291080 179006761 /nfs/dbraw/zinc/00/67/61/179006761.db2.gz WUJRDMVGVRBJPH-NSHDSACASA-N 1 0 255.383 2.146 10 0 CEAERO CCC[NH2+][C@@H](CO)CSc1cccc(OC)c1 ZINC000085291127 179007228 /nfs/dbraw/zinc/00/72/28/179007228.db2.gz SYBZFZGCMKDTAV-NSHDSACASA-N 1 0 255.383 2.148 10 0 CEAERO [NH3+][C@@](CO)(CSc1ccc(C(F)(F)F)cn1)C1CC1 ZINC000085291767 179007259 /nfs/dbraw/zinc/00/72/59/179007259.db2.gz GUOPPXNGYTZXJC-NSHDSACASA-N 1 0 292.326 2.292 10 0 CEAERO C[NH2+][C@@](C)(CO)C[C@@H](C)Sc1nc2ccccc2[nH]1 ZINC000085291720 179007302 /nfs/dbraw/zinc/00/73/02/179007302.db2.gz PRMMVUWMVXIGSD-QMTHXVAHSA-N 1 0 279.409 2.404 10 0 CEAERO CCC[NH2+][C@H](CO)CSc1cccc(OC)c1 ZINC000085291129 179007328 /nfs/dbraw/zinc/00/73/28/179007328.db2.gz SYBZFZGCMKDTAV-LLVKDONJSA-N 1 0 255.383 2.148 10 0 CEAERO COCCSCCCC[C@](C)(CO)[NH2+]C1CC1 ZINC000085298002 179009136 /nfs/dbraw/zinc/00/91/36/179009136.db2.gz OEYDSJSLDGVHGZ-CYBMUJFWSA-N 1 0 261.431 2.039 10 0 CEAERO Cc1cnc(SCCC[C@](C)(CO)[NH2+]C2CC2)nc1 ZINC000085297715 179009138 /nfs/dbraw/zinc/00/91/38/179009138.db2.gz QWBXWNFZCYWBLW-CQSZACIVSA-N 1 0 281.425 2.160 10 0 CEAERO C[NH2+][C@](CO)(CSc1ccc(F)c(F)c1)C1CC1 ZINC000085298121 179009383 /nfs/dbraw/zinc/00/93/83/179009383.db2.gz PRMGBWSFQVDWBR-CYBMUJFWSA-N 1 0 273.348 2.417 10 0 CEAERO Cc1cc(C)cc(N(C)CCC[C@](C)(O)C[NH3+])c1 ZINC000085303714 179011475 /nfs/dbraw/zinc/01/14/75/179011475.db2.gz WQRFIXWGTTXACC-HNNXBMFYSA-N 1 0 250.386 2.230 10 0 CEAERO Cc1ccc2[nH]c(S[C@H](C)C[C@@](C)(O)C[NH3+])nc2c1 ZINC000085307957 179013172 /nfs/dbraw/zinc/01/31/72/179013172.db2.gz YIAKWNFTSQJLTA-QMTHXVAHSA-N 1 0 279.409 2.452 10 0 CEAERO [NH3+]C[C@](O)(CSc1ccc(C(F)(F)F)cn1)C1CC1 ZINC000085308504 179013195 /nfs/dbraw/zinc/01/31/95/179013195.db2.gz POPDSAOZEXUGSG-NSHDSACASA-N 1 0 292.326 2.292 10 0 CEAERO Cc1cc(-c2nnco2)ccc1NC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085364904 179036122 /nfs/dbraw/zinc/03/61/22/179036122.db2.gz MNMXYMVTDPTXGB-RYUDHWBXSA-N 1 0 286.335 2.111 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)N1CCC[C@@H]1c1ccccc1 ZINC000085358837 179031131 /nfs/dbraw/zinc/03/11/31/179031131.db2.gz MMTUNXDHOOSQSE-SOUVJXGZSA-N 1 0 258.365 2.478 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)Nc1ccc(OC(F)F)cc1 ZINC000085358123 179031479 /nfs/dbraw/zinc/03/14/79/179031479.db2.gz FFLREFXMGZSEQI-MNOVXSKESA-N 1 0 270.279 2.354 10 0 CEAERO CC(=O)Nc1ccc(F)c(NC(=O)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000085359853 179032355 /nfs/dbraw/zinc/03/23/55/179032355.db2.gz VWXKQZVRFTXPNH-WCQYABFASA-N 1 0 293.342 2.240 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)Nc1cccc2cnccc21 ZINC000085360673 179033209 /nfs/dbraw/zinc/03/32/09/179033209.db2.gz BXMRRTXHKPFSOU-STQMWFEESA-N 1 0 255.321 2.301 10 0 CEAERO CCOC(=O)Nc1ccc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000085362112 179033357 /nfs/dbraw/zinc/03/33/57/179033357.db2.gz YFKRQUIZVPKZKQ-CHWSQXEVSA-N 1 0 291.351 2.321 10 0 CEAERO CN(CCOc1ccc(F)cc1)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085367336 179037486 /nfs/dbraw/zinc/03/74/86/179037486.db2.gz DFVSLFODGYIBBT-LSDHHAIUSA-N 1 0 294.370 2.180 10 0 CEAERO CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085367852 179037522 /nfs/dbraw/zinc/03/75/22/179037522.db2.gz DHURMPBUEWKECS-QWHCGFSZSA-N 1 0 266.772 2.426 10 0 CEAERO CN(CCOc1cccc(Cl)c1)C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085367367 179037676 /nfs/dbraw/zinc/03/76/76/179037676.db2.gz BMOYRXRRSGXUOX-ZIAGYGMSSA-N 1 0 296.798 2.305 10 0 CEAERO CN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085367851 179037781 /nfs/dbraw/zinc/03/77/81/179037781.db2.gz DHURMPBUEWKECS-CHWSQXEVSA-N 1 0 266.772 2.426 10 0 CEAERO CCCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085368404 179038243 /nfs/dbraw/zinc/03/82/43/179038243.db2.gz DCIVDUSWAXKSGN-ZJUUUORDSA-N 1 0 266.307 2.305 10 0 CEAERO CC(C)CO[C@H]1C[C@H]([NH2+]CCC(=O)N2CCCC2)C1(C)C ZINC000085399690 179051180 /nfs/dbraw/zinc/05/11/80/179051180.db2.gz MNYZIWHMIYSMQO-GJZGRUSLSA-N 1 0 296.455 2.428 10 0 CEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)C1 ZINC000247458042 539538344 /nfs/dbraw/zinc/53/83/44/539538344.db2.gz UDQNDGYDISEXSJ-WCQYABFASA-N 1 0 292.427 2.166 10 0 CEAERO CCO[C@H]1C[C@H]([NH2+][C@@H](CN(C)C)C(C)C)C1(C)C ZINC000085397871 179050321 /nfs/dbraw/zinc/05/03/21/179050321.db2.gz WWEGHORDAXBGNS-IHRRRGAJSA-N 1 0 256.434 2.366 10 0 CEAERO C[C@H]([NH3+])Cc1ccc(N2CCSCC2)c(F)c1 ZINC000111490404 136532255 /nfs/dbraw/zinc/53/22/55/136532255.db2.gz BCHDXEQDXGOEQR-JTQLQIEISA-N 1 0 254.374 2.269 10 0 CEAERO CCC[NH2+][C@@H]1c2ccc(OC)cc2CC[C@H]1OC1COC1 ZINC000098057724 185678260 /nfs/dbraw/zinc/67/82/60/185678260.db2.gz AAFPFNKKBWRQHR-IAGOWNOFSA-N 1 0 291.391 2.466 10 0 CEAERO CCC([NH3+])(CC)COc1ncncc1Br ZINC000085468019 179073003 /nfs/dbraw/zinc/07/30/03/179073003.db2.gz OQACXCUYZKXWKN-UHFFFAOYSA-N 1 0 274.162 2.135 10 0 CEAERO COc1ccc(CN2CC(C)(C)[NH2+]C[C@@H]2C)cc1F ZINC000085469013 179073961 /nfs/dbraw/zinc/07/39/61/179073961.db2.gz OAGFDMYEWKAZIU-NSHDSACASA-N 1 0 266.360 2.407 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(Cc2ccn(C(C)C)n2)CC[NH2+]1 ZINC000085450012 179064991 /nfs/dbraw/zinc/06/49/91/179064991.db2.gz WCQNTNLQHSVMTO-HIFRSBDPSA-N 1 0 264.417 2.284 10 0 CEAERO CC[C@@H](C)[C@H]1C[N@@H+]([C@@H]2CCC[C@H](OC)C2)CCN1 ZINC000085449989 179065258 /nfs/dbraw/zinc/06/52/58/179065258.db2.gz SXXRLCHUUXBVGE-APIJFGDWSA-N 1 0 254.418 2.264 10 0 CEAERO CO[C@H]1CCC[C@H]([N@@H+]2CCNCC23CCCC3)C1 ZINC000085452298 179066294 /nfs/dbraw/zinc/06/62/94/179066294.db2.gz YVOJSNPMMQJMEZ-KBPBESRZSA-N 1 0 252.402 2.162 10 0 CEAERO CCC[C@H]1C[NH2+][C@H](C)CN1Cc1cccc(OC)n1 ZINC000085453485 179067086 /nfs/dbraw/zinc/06/70/86/179067086.db2.gz KTIWNYJSWBLXOJ-OCCSQVGLSA-N 1 0 263.385 2.053 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@H](C)CN1Cc1ccn(C(C)C)n1 ZINC000085453644 179067208 /nfs/dbraw/zinc/06/72/08/179067208.db2.gz AZEXKXUSPZUATQ-HIFRSBDPSA-N 1 0 264.417 2.282 10 0 CEAERO CCC[C@H]1C[NH2+][C@H](CC)CN1C[C@@H]1CCCCO1 ZINC000085472706 179077095 /nfs/dbraw/zinc/07/70/95/179077095.db2.gz JOSAPIMPZSEQEO-ILXRZTDVSA-N 1 0 254.418 2.408 10 0 CEAERO CC[C@H]1CN(Cc2ccn(C(C)C)n2)[C@@H](CC)C[NH2+]1 ZINC000085472371 179077449 /nfs/dbraw/zinc/07/74/49/179077449.db2.gz UPAYKZPPGIGOED-ZFWWWQNUSA-N 1 0 264.417 2.426 10 0 CEAERO CC[C@@H]1CN(CC(F)(F)F)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085475131 179078974 /nfs/dbraw/zinc/07/89/74/179078974.db2.gz RGMDSLZAZZNYLY-GHMZBOCLSA-N 1 0 250.308 2.401 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1CNc1ncncc1Br ZINC000085480797 179080398 /nfs/dbraw/zinc/08/03/98/179080398.db2.gz IMKWUXZVIIKKMB-WPRPVWTQSA-N 1 0 285.189 2.169 10 0 CEAERO CC(C)(C)[C@H]1C[N@H+](C[C@@H]2CCOC2)C(C)(C)CN1 ZINC000085486289 179080609 /nfs/dbraw/zinc/08/06/09/179080609.db2.gz HGDWHNGZMGNNGK-QWHCGFSZSA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@@H](C)[C@@H]1CNC(C)(C)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085470325 179075725 /nfs/dbraw/zinc/07/57/25/179075725.db2.gz MTRMFCQVGKNLBB-RDBSUJKOSA-N 1 0 254.418 2.121 10 0 CEAERO CCOCC[N@@H+]1CC(C)(C)NCC12CCCCC2 ZINC000085471489 179075914 /nfs/dbraw/zinc/07/59/14/179075914.db2.gz XKVDRUZLEDSKGR-UHFFFAOYSA-N 1 0 254.418 2.410 10 0 CEAERO COc1cccc(CN2CC(C)(C)[NH2+]CC2(C)C)n1 ZINC000085471071 179076241 /nfs/dbraw/zinc/07/62/41/179076241.db2.gz GDMONDPZILIHLV-UHFFFAOYSA-N 1 0 263.385 2.053 10 0 CEAERO CC[C@H]1C[NH2+][C@](C)(C2CC2)CN1CC(F)(F)F ZINC000085510742 179085677 /nfs/dbraw/zinc/08/56/77/179085677.db2.gz MXGDQRRJXADABU-QWRGUYRKSA-N 1 0 250.308 2.401 10 0 CEAERO CC[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1CC(F)(F)F ZINC000085510727 179086074 /nfs/dbraw/zinc/08/60/74/179086074.db2.gz MXGDQRRJXADABU-GHMZBOCLSA-N 1 0 250.308 2.401 10 0 CEAERO CC[C@@]1(C)CN[C@@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085515103 179086422 /nfs/dbraw/zinc/08/64/22/179086422.db2.gz CCQLONQMAIILKG-HRCADAONSA-N 1 0 266.429 2.408 10 0 CEAERO CC1(C)C[NH2+][C@](C)(C2CC2)CN1CCOCC(F)(F)F ZINC000085514420 179086612 /nfs/dbraw/zinc/08/66/12/179086612.db2.gz SILRAVOEKAPOMP-ZDUSSCGKSA-N 1 0 294.361 2.418 10 0 CEAERO CCC1(CC)CN(Cc2ncccn2)[C@H](C2CC2)C[NH2+]1 ZINC000085519091 179087404 /nfs/dbraw/zinc/08/74/04/179087404.db2.gz XERSTFFTTVAFRF-AWEZNQCLSA-N 1 0 274.412 2.219 10 0 CEAERO CCC1(CC)CN(C[C@@H]2CCCCO2)[C@@H](C)C[NH2+]1 ZINC000085516863 179087477 /nfs/dbraw/zinc/08/74/77/179087477.db2.gz FTTRUAHXLLZDPE-KBPBESRZSA-N 1 0 254.418 2.408 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](C2CC2)CN1CCc1cccs1 ZINC000085521321 179087775 /nfs/dbraw/zinc/08/77/75/179087775.db2.gz HJNIFLOILDAJNG-BXUZGUMPSA-N 1 0 250.411 2.363 10 0 CEAERO CCC1(CC)CN(C[C@H]2CCCO2)C(C)(C)C[NH2+]1 ZINC000085519904 179088132 /nfs/dbraw/zinc/08/81/32/179088132.db2.gz KDGKZSDINFBTEG-CYBMUJFWSA-N 1 0 254.418 2.408 10 0 CEAERO Cn1cc(CN2C[C@](C)(C3CC3)[NH2+]CC23CCCC3)cn1 ZINC000085515912 179088146 /nfs/dbraw/zinc/08/81/46/179088146.db2.gz PUSUANXUVNKALV-MRXNPFEDSA-N 1 0 288.439 2.307 10 0 CEAERO [NH3+]C1CC(Oc2ccc(Br)cc2F)C1 ZINC000085522977 179088389 /nfs/dbraw/zinc/08/83/89/179088389.db2.gz VRQLHHIBZXMOOT-UHFFFAOYSA-N 1 0 260.106 2.457 10 0 CEAERO CC(C)c1nc2c(n1C[C@@H]1CCCCO1)CC[NH2+]C2 ZINC000085572444 179097661 /nfs/dbraw/zinc/09/76/61/179097661.db2.gz SWPDTRMOWLDIJK-LBPRGKRZSA-N 1 0 263.385 2.221 10 0 CEAERO CCC[C@H]1CN[C@@H](C2CC2)C[N@@H+]1CCCn1ccnc1 ZINC000085523168 179088966 /nfs/dbraw/zinc/08/89/66/179088966.db2.gz JTSBVZXWLJGFLZ-JKSUJKDBSA-N 1 0 276.428 2.126 10 0 CEAERO FC(F)(F)COCCN1C[C@@H](C2CC2)[NH2+]C[C@@H]1C1CC1 ZINC000085526200 179089132 /nfs/dbraw/zinc/08/91/32/179089132.db2.gz ISPWMDYUYDUQBH-QWHCGFSZSA-N 1 0 292.345 2.028 10 0 CEAERO CCOCCN1C[C@@H](C2CC2)[NH2+]C[C@@H]1CC(C)C ZINC000085525525 179089213 /nfs/dbraw/zinc/08/92/13/179089213.db2.gz NORBWHOUJVZXHK-GJZGRUSLSA-N 1 0 254.418 2.121 10 0 CEAERO CC(C)(C)[C@@H]1CN[C@@H](C2CC2)C[N@@H+]1CCCn1ccnc1 ZINC000085526616 179089433 /nfs/dbraw/zinc/08/94/33/179089433.db2.gz FQORMZHUXFMCPW-CVEARBPZSA-N 1 0 290.455 2.372 10 0 CEAERO CCC1(CC)C[NH2+][C@@H](C2CC2)CN1CCn1cccn1 ZINC000085528912 179090520 /nfs/dbraw/zinc/09/05/20/179090520.db2.gz MYFMHCHITFSVAM-OAHLLOKOSA-N 1 0 276.428 2.126 10 0 CEAERO COCCC[N@@H+]1C[C@H](C2CC2)NCC12CCCC2 ZINC000085528999 179090546 /nfs/dbraw/zinc/09/05/46/179090546.db2.gz IFLUMXDICTXIEU-CQSZACIVSA-N 1 0 252.402 2.020 10 0 CEAERO CCC1(CC)CN[C@@H](C2CC2)C[N@@H+]1CCn1ccnc1C ZINC000085528840 179091234 /nfs/dbraw/zinc/09/12/34/179091234.db2.gz KLUWOXAHOMBYGG-MRXNPFEDSA-N 1 0 290.455 2.434 10 0 CEAERO CCOC[C@H](C)n1c2c(nc1C(C)(C)C)C[NH2+]CC2 ZINC000085572853 179097861 /nfs/dbraw/zinc/09/78/61/179097861.db2.gz DDZCLQVLAINGRV-NSHDSACASA-N 1 0 265.401 2.424 10 0 CEAERO CC[NH2+][C@@](C)(CCCOc1cc(C)ccc1F)C(N)=O ZINC000085560690 179094526 /nfs/dbraw/zinc/09/45/26/179094526.db2.gz RKPNNGBWCXCOQE-HNNXBMFYSA-N 1 0 282.359 2.147 10 0 CEAERO CO[C@@H]1CCC[C@@H]1n1c2c(nc1C(F)(F)F)C[NH2+]CC2 ZINC000085570856 179096368 /nfs/dbraw/zinc/09/63/68/179096368.db2.gz HFLOFAQRBIJWLF-WDEREUQCSA-N 1 0 289.301 2.288 10 0 CEAERO CCCc1nc2c(n1-c1ccccc1OC)CC[NH2+]C2 ZINC000085569524 179096618 /nfs/dbraw/zinc/09/66/18/179096618.db2.gz VSYJTFIZLSEJSL-UHFFFAOYSA-N 1 0 271.364 2.479 10 0 CEAERO CO[C@H]1CCC[C@@H]([N@@H+]2CCCN[C@H](C(C)C)C2)C1 ZINC000085608415 179101283 /nfs/dbraw/zinc/10/12/83/179101283.db2.gz VDHLMASKVCGDSK-ILXRZTDVSA-N 1 0 254.418 2.264 10 0 CEAERO CCC[C@H]1CN(CCOCC(F)(F)F)CCC[NH2+]1 ZINC000085611947 179102068 /nfs/dbraw/zinc/10/20/68/179102068.db2.gz LHFPLQAJOLBNOH-NSHDSACASA-N 1 0 268.323 2.029 10 0 CEAERO C[C@@]1(C2CC2)CN(CCC(F)(F)F)CCC[NH2+]1 ZINC000085613066 179102737 /nfs/dbraw/zinc/10/27/37/179102737.db2.gz DVARRBACQKLAQK-NSHDSACASA-N 1 0 250.308 2.403 10 0 CEAERO COc1ccc(CN2CCC[NH2+][C@H](C3CC3)C2)cc1OC ZINC000085615878 179104574 /nfs/dbraw/zinc/10/45/74/179104574.db2.gz NXCVLDXCGIUMBF-HNNXBMFYSA-N 1 0 290.407 2.278 10 0 CEAERO Cc1cc(C[NH2+][C@H]2[C@H]3CCCO[C@@H]3C2(C)C)on1 ZINC000085675882 179112559 /nfs/dbraw/zinc/11/25/59/179112559.db2.gz XGQBBUNTDLPQQU-AGIUHOORSA-N 1 0 250.342 2.276 10 0 CEAERO [NH3+][C@@H](c1cc(F)cc(Br)c1)c1cnccn1 ZINC000085633752 179108458 /nfs/dbraw/zinc/10/84/58/179108458.db2.gz NNRVBMLNVKSYGF-NSHDSACASA-N 1 0 282.116 2.426 10 0 CEAERO Cc1c([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cnn1C ZINC000085635116 179109506 /nfs/dbraw/zinc/10/95/06/179109506.db2.gz ZYBRWQUUBMFXFG-VMXABPDPSA-N 1 0 263.385 2.193 10 0 CEAERO Cc1cc([C@@H](C[NH3+])N(C)C)ccc1Br ZINC000085707104 179121954 /nfs/dbraw/zinc/12/19/54/179121954.db2.gz DNFAXCJWASFWDV-LLVKDONJSA-N 1 0 257.175 2.319 10 0 CEAERO COc1ccc(F)cc1C[NH2+][C@H]1CCCC[C@@H]1CO ZINC000336818299 365863141 /nfs/dbraw/zinc/86/31/41/365863141.db2.gz UXQPPOMCALXJGZ-RISCZKNCSA-N 1 0 267.344 2.475 10 0 CEAERO C[NH+](C)CCNC(=O)c1ccnc(-c2ccsc2)c1 ZINC000064676055 362792864 /nfs/dbraw/zinc/79/28/64/362792864.db2.gz JCVWDLSGTFYDSB-UHFFFAOYSA-N 1 0 275.377 2.102 10 0 CEAERO Cc1cccc(C(C)C)c1NC(=O)[C@]1([NH3+])CCOC1 ZINC000085867889 179192572 /nfs/dbraw/zinc/19/25/72/179192572.db2.gz SYRVFANCWAYPIV-HNNXBMFYSA-N 1 0 262.353 2.175 10 0 CEAERO CC[C@@H](NC(=O)[C@]1([NH3+])CCOC1)c1cccc(Cl)c1 ZINC000085870221 179192641 /nfs/dbraw/zinc/19/26/41/179192641.db2.gz OHOGLWYXHYZDNM-OCCSQVGLSA-N 1 0 282.771 2.025 10 0 CEAERO COc1ccc(C)cc1C(=O)NC[C@H]1CCCC[C@H]1[NH3+] ZINC000085965835 179205574 /nfs/dbraw/zinc/20/55/74/179205574.db2.gz ORAKWWZTJDFQIC-TZMCWYRMSA-N 1 0 276.380 2.251 10 0 CEAERO Cc1cccc(CC(=O)NC[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000085965927 179206068 /nfs/dbraw/zinc/20/60/68/179206068.db2.gz ZINFETPEERBRPD-HUUCEWRRSA-N 1 0 260.381 2.171 10 0 CEAERO Cc1ccccc1CC(=O)NC[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085966710 179206153 /nfs/dbraw/zinc/20/61/53/179206153.db2.gz RMDLXBIVXWEPIK-GJZGRUSLSA-N 1 0 260.381 2.171 10 0 CEAERO Cc1ccc(CC(=O)NC[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000085968284 179206681 /nfs/dbraw/zinc/20/66/81/179206681.db2.gz OEOKVJOADOYLEQ-CABCVRRESA-N 1 0 260.381 2.171 10 0 CEAERO CCCOc1ccccc1OC[C@@H](CCO)[NH2+]CC ZINC000085925040 179201236 /nfs/dbraw/zinc/20/12/36/179201236.db2.gz CZNUZDHCIZYERC-CYBMUJFWSA-N 1 0 267.369 2.215 10 0 CEAERO CCC[NH2+][C@H](CCO)C[S@@](=O)c1cccc(Cl)c1 ZINC000085925754 179202136 /nfs/dbraw/zinc/20/21/36/179202136.db2.gz KSPUQVYKHWAISS-XIKOKIGWSA-N 1 0 289.828 2.198 10 0 CEAERO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccc(NC(N)=O)cc1 ZINC000085978061 179208398 /nfs/dbraw/zinc/20/83/98/179208398.db2.gz GQRCLVFTILEREO-WHOFXGATSA-N 1 0 291.395 2.379 10 0 CEAERO CC[NH2+][C@@H](CCO)CSc1ccc(F)c(F)c1 ZINC000085927821 179202753 /nfs/dbraw/zinc/20/27/53/179202753.db2.gz XVQNWTPHDWPEIA-VIFPVBQESA-N 1 0 261.337 2.417 10 0 CEAERO CC[NH2+][C@@H](CCO)CSc1ccc(OC)cc1 ZINC000085928636 179202778 /nfs/dbraw/zinc/20/27/78/179202778.db2.gz KDXKBVOSCYLEID-NSHDSACASA-N 1 0 255.383 2.148 10 0 CEAERO Nc1ccc(Cl)c(SC[C@@H]2C[NH2+]CCO2)c1 ZINC000085929860 179202946 /nfs/dbraw/zinc/20/29/46/179202946.db2.gz DFNVDLIBYKFLIJ-VIFPVBQESA-N 1 0 258.774 2.003 10 0 CEAERO COC(=O)[C@@H](C[NH2+]C[C@H]1CCCC[C@@H]1O)c1ccccc1 ZINC000085985639 179211665 /nfs/dbraw/zinc/21/16/65/179211665.db2.gz WFLFUKTTXJYFSB-PMPSAXMXSA-N 1 0 291.391 2.084 10 0 CEAERO Cc1ccc(NC(=O)C[NH2+]C[C@H]2CCCC[C@H]2O)cc1 ZINC000085986647 179212383 /nfs/dbraw/zinc/21/23/83/179212383.db2.gz SDNPEKRRBDMOFV-UKRRQHHQSA-N 1 0 276.380 2.074 10 0 CEAERO Cc1ccc(S(=O)(=O)[C@@H]2CC[C@H]([NH3+])[C@@H]2C)cc1C ZINC000086040520 179222390 /nfs/dbraw/zinc/22/23/90/179222390.db2.gz DUNFCNJZAVDWHU-FPMFFAJLSA-N 1 0 267.394 2.203 10 0 CEAERO C[C@@H]1CC[C@H](NC(=O)CC[C@@H]2CCCC[NH2+]2)[C@@H]1C ZINC000086076390 179225652 /nfs/dbraw/zinc/22/56/52/179225652.db2.gz BOZCWBXBZVCSRQ-MQYQWHSLSA-N 1 0 252.402 2.460 10 0 CEAERO C[C@H]1[C@H]([NH2+]Cc2nnnn2-c2ccccc2)CC[C@@H]1C ZINC000086076821 179225721 /nfs/dbraw/zinc/22/57/21/179225721.db2.gz NNKBBAHLYXNTSX-OUCADQQQSA-N 1 0 271.368 2.187 10 0 CEAERO C[C@H]1[C@H]([NH2+]CC(=O)N2CCCCCC2)CC[C@@H]1C ZINC000086077845 179225855 /nfs/dbraw/zinc/22/58/55/179225855.db2.gz BANZTYWBNYZFEF-BFHYXJOUSA-N 1 0 252.402 2.413 10 0 CEAERO C[C@@H]1[C@@H](C)CC[C@@H]1[NH2+]Cc1nc2ccccc2c(=O)[nH]1 ZINC000086075548 179225916 /nfs/dbraw/zinc/22/59/16/179225916.db2.gz VVBCGMGKFMFOPL-LOWVWBTDSA-N 1 0 271.364 2.447 10 0 CEAERO C[NH2+][C@@H](c1cc(C)sc1C)[C@H]1CCS(=O)(=O)C1 ZINC000086020637 179217994 /nfs/dbraw/zinc/21/79/94/179217994.db2.gz VQKSHAPJVRXGKB-CMPLNLGQSA-N 1 0 273.423 2.060 10 0 CEAERO CC[NH2+][C@@H](c1cc(C)ccc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000086021997 179219050 /nfs/dbraw/zinc/21/90/50/179219050.db2.gz DTILVXLOEVITHJ-SWLSCSKDSA-N 1 0 297.420 2.089 10 0 CEAERO CC[NH2+][C@H]1CC[C@H](S(=O)(=O)c2cccc(OC)c2)[C@@H]1C ZINC000086040810 179221937 /nfs/dbraw/zinc/22/19/37/179221937.db2.gz IBJINLOTFHRXHN-UGFHNGPFSA-N 1 0 297.420 2.246 10 0 CEAERO CC(C)[C@@H](CO)[NH2+]Cc1ccc(O)c(Br)c1 ZINC000086122432 179235768 /nfs/dbraw/zinc/23/57/68/179235768.db2.gz KEYTVNCVYZJHGI-LLVKDONJSA-N 1 0 288.185 2.261 10 0 CEAERO C[C@H]([C@@H]1CCCO1)[N@@H+]1CCN[C@H](c2ccccc2)C1 ZINC000086127808 179235956 /nfs/dbraw/zinc/23/59/56/179235956.db2.gz JCFYLTIBBDXRPN-KBMXLJTQSA-N 1 0 260.381 2.200 10 0 CEAERO C[C@H]1[C@H](NC(=O)C2CCC(C[NH3+])CC2)CC[C@@H]1C ZINC000086082311 179227902 /nfs/dbraw/zinc/22/79/02/179227902.db2.gz HHXIYERLMSCTGN-GMZKHCIJSA-N 1 0 252.402 2.302 10 0 CEAERO CC[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(C[NH3+])cc2)[C@@H]1C ZINC000086091550 179228695 /nfs/dbraw/zinc/22/86/95/179228695.db2.gz LQSCYJZJRGZRDW-KYOSRNDESA-N 1 0 296.436 2.248 10 0 CEAERO CC[C@H]1CC[C@@H](NC(=O)C2(C[NH3+])CCCC2)[C@@H]1C ZINC000086084125 179228974 /nfs/dbraw/zinc/22/89/74/179228974.db2.gz WASHOYRVJUOGFO-FRRDWIJNSA-N 1 0 252.402 2.446 10 0 CEAERO CC[C@H]1CC[C@@H](NC(=O)C2CCC([NH3+])CC2)[C@@H]1C ZINC000086094450 179228989 /nfs/dbraw/zinc/22/89/89/179228989.db2.gz LEZXNKFHDQBDJG-XPXVYLNCSA-N 1 0 252.402 2.445 10 0 CEAERO Cc1csc(CCN2CC[NH2+][C@H](CC(C)C)C2)n1 ZINC000086148877 179239932 /nfs/dbraw/zinc/23/99/32/179239932.db2.gz IADPTDOSZCZNNA-CYBMUJFWSA-N 1 0 267.442 2.314 10 0 CEAERO c1nc(CCN2CC[NH2+][C@H](c3ccccc3)C2)cs1 ZINC000086149474 179240217 /nfs/dbraw/zinc/24/02/17/179240217.db2.gz KQAVOBRTODZVLN-HNNXBMFYSA-N 1 0 273.405 2.332 10 0 CEAERO CC(C)[C@@H]1CN(CCOC2CCCCC2)CC[NH2+]1 ZINC000086149535 179240359 /nfs/dbraw/zinc/24/03/59/179240359.db2.gz KZNZWDFBCPDLNG-HNNXBMFYSA-N 1 0 254.418 2.266 10 0 CEAERO CSCCC[N@@H+]1CCN[C@@H](c2ccccc2)C1 ZINC000086149809 179240587 /nfs/dbraw/zinc/24/05/87/179240587.db2.gz ZONWLKFRIXOFNH-CQSZACIVSA-N 1 0 250.411 2.386 10 0 CEAERO CCC1(CC)CN(CCOC2CCCC2)CC[NH2+]1 ZINC000086149519 179240774 /nfs/dbraw/zinc/24/07/74/179240774.db2.gz UAHHRYCGKAQUCK-UHFFFAOYSA-N 1 0 254.418 2.410 10 0 CEAERO CCC[C@H](COC)[N@@H+]1CCN[C@H](c2ccccc2)C1 ZINC000086150392 179240933 /nfs/dbraw/zinc/24/09/33/179240933.db2.gz SDWOVYBHWKKBES-CVEARBPZSA-N 1 0 262.397 2.448 10 0 CEAERO CCn1cc(N2C[C@H](C(C)C)[NH2+]C[C@@H]2C(C)C)cn1 ZINC000086154315 179241499 /nfs/dbraw/zinc/24/14/99/179241499.db2.gz QCMQKNSGNOQJNT-HUUCEWRRSA-N 1 0 264.417 2.362 10 0 CEAERO CC[C@H](C)[C@@H]1CN(c2cnn(CCOC)c2)[C@@H](CC)C[NH2+]1 ZINC000086173150 179244828 /nfs/dbraw/zinc/24/48/28/179244828.db2.gz GMARBGZIINFKSB-DZKIICNBSA-N 1 0 294.443 2.132 10 0 CEAERO CC[C@H](C)[C@@H]1CN([C@@H]2CCCOC2)[C@@H](CC)C[NH2+]1 ZINC000086175677 179245621 /nfs/dbraw/zinc/24/56/21/179245621.db2.gz IJRPZOSKVJMAAW-XQLPTFJDSA-N 1 0 254.418 2.264 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@H](C)CN1CCc1cscn1 ZINC000086175808 179245704 /nfs/dbraw/zinc/24/57/04/179245704.db2.gz RYBSPPUSTUDYMJ-YPMHNXCESA-N 1 0 253.415 2.004 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C)CN1CCc1nc(C)cs1 ZINC000086175391 179245965 /nfs/dbraw/zinc/24/59/65/179245965.db2.gz UDYFUCDYHQUEIQ-PWSUYJOCSA-N 1 0 253.415 2.066 10 0 CEAERO COc1ccc(CCN2CC[NH2+]C[C@@H]2C(C)C)cc1OC ZINC000086176947 179247096 /nfs/dbraw/zinc/24/70/96/179247096.db2.gz SBULPRJZHWOQIY-OAHLLOKOSA-N 1 0 292.423 2.176 10 0 CEAERO CCn1cc(N2CC[NH2+]C[C@H]2c2ccccc2)cn1 ZINC000086177089 179247124 /nfs/dbraw/zinc/24/71/24/179247124.db2.gz VBSYDDFCYPTLFL-HNNXBMFYSA-N 1 0 256.353 2.054 10 0 CEAERO Brc1ccc(-c2noc(C3C[NH2+]C3)n2)cc1 ZINC000086194430 179248740 /nfs/dbraw/zinc/24/87/40/179248740.db2.gz ZQAHHOFLTGGOOM-UHFFFAOYSA-N 1 0 280.125 2.186 10 0 CEAERO CC[C@H]1C[NH2+]C(CC)(CC)CN1c1cnn(C)c1 ZINC000086218289 179249361 /nfs/dbraw/zinc/24/93/61/179249361.db2.gz UIQBJDSDBGOWCR-LBPRGKRZSA-N 1 0 250.390 2.167 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1CCc1ccccn1 ZINC000086221484 179250286 /nfs/dbraw/zinc/25/02/86/179250286.db2.gz KNEVOYBJGSYVPA-UKRRQHHQSA-N 1 0 261.413 2.333 10 0 CEAERO C[C@H]1C[NH2+]C2(CCCC2)CN1CCc1ccccn1 ZINC000086221481 179250301 /nfs/dbraw/zinc/25/03/01/179250301.db2.gz LEEVDSDKKPFESC-AWEZNQCLSA-N 1 0 259.397 2.231 10 0 CEAERO CCN1CCC[C@H]([NH2+]Cc2cnc(C(C)(C)C)nc2)C1 ZINC000336829956 365893865 /nfs/dbraw/zinc/89/38/65/365893865.db2.gz JNDMKLGGEYJMCF-AWEZNQCLSA-N 1 0 276.428 2.348 10 0 CEAERO C[NH+](C)[C@H]1CCN(c2nc(Br)cs2)C1 ZINC000086291152 179265391 /nfs/dbraw/zinc/26/53/91/179265391.db2.gz SFRHQPRNROKQGB-ZETCQYMHSA-N 1 0 276.203 2.046 10 0 CEAERO CCc1oc(C(=O)N2CCN3CCCC[C@@H]3C2)cc1C ZINC000129820703 365898789 /nfs/dbraw/zinc/89/87/89/365898789.db2.gz HRHOFRXCVHHHPL-CYBMUJFWSA-N 1 0 276.380 2.461 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1Cc1ccnc(C)n1 ZINC000086260197 179258955 /nfs/dbraw/zinc/25/89/55/179258955.db2.gz HVCDAOVDZMMBGB-CABCVRRESA-N 1 0 276.428 2.384 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](c2ccccc2)CN1Cc1nc(C)no1 ZINC000086260309 179259102 /nfs/dbraw/zinc/25/91/02/179259102.db2.gz QGZIUOMFSOKVES-CABCVRRESA-N 1 0 286.379 2.303 10 0 CEAERO CC[C@@H]1C[NH2+][C@](C)(CC)CN1Cc1ccnc(C)n1 ZINC000086260219 179259291 /nfs/dbraw/zinc/25/92/91/179259291.db2.gz HIAULZAPSVEHLT-HUUCEWRRSA-N 1 0 262.401 2.138 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C2CC2)CN1C[C@@H]1Cc2ccccc2O1 ZINC000086261681 179260242 /nfs/dbraw/zinc/26/02/42/179260242.db2.gz HTWZPJIEOHWNBF-IXDOHACOSA-N 1 0 286.419 2.453 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1nccn1C ZINC000086264797 179260836 /nfs/dbraw/zinc/26/08/36/179260836.db2.gz SZNFMPJFSMRQBV-HOCLYGCPSA-N 1 0 276.428 2.019 10 0 CEAERO CC(C)[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1Cc1nccn1C ZINC000086264892 179260894 /nfs/dbraw/zinc/26/08/94/179260894.db2.gz WRSWLRHEVILHOL-ZIAGYGMSSA-N 1 0 278.444 2.265 10 0 CEAERO CC[C@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1ccc(OC)nc1 ZINC000086263886 179261038 /nfs/dbraw/zinc/26/10/38/179261038.db2.gz UWAKTOMUXPXVKT-DOTOQJQBSA-N 1 0 289.423 2.443 10 0 CEAERO CC[C@H]1CN[C@@](C)(C2CC2)C[N@@H+]1[C@@H]1CCCOC1 ZINC000086265150 179261431 /nfs/dbraw/zinc/26/14/31/179261431.db2.gz QWZPFAMMRPAERA-RRFJBIMHSA-N 1 0 252.402 2.018 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](CC(C)C)CN1[C@@H]1CCCOC1 ZINC000086265245 179261950 /nfs/dbraw/zinc/26/19/50/179261950.db2.gz CQEVLBPFLPYLKF-RBSFLKMASA-N 1 0 254.418 2.264 10 0 CEAERO COCc1cccc(N2CCC[NH2+][C@H](C3CC3)C2)c1 ZINC000086289611 179264881 /nfs/dbraw/zinc/26/48/81/179264881.db2.gz ZDQJFLCWUIKHAG-INIZCTEOSA-N 1 0 260.381 2.411 10 0 CEAERO Cc1cccc(OCCN2C[C@@H](C3CC3)[NH2+]C[C@@H]2C)c1 ZINC000086257974 179257136 /nfs/dbraw/zinc/25/71/36/179257136.db2.gz YTWMAAXREDZJBT-YOEHRIQHSA-N 1 0 274.408 2.446 10 0 CEAERO CC[C@@H](C)[C@@H]1C[N@H+](C[C@@H]2CCCOC2)CCCN1 ZINC000086292441 179266240 /nfs/dbraw/zinc/26/62/40/179266240.db2.gz VDNJSNHYBWMUKA-ILXRZTDVSA-N 1 0 254.418 2.123 10 0 CEAERO CC[C@]1(C)CN(Cc2ccc(OC)nc2)CCC[NH2+]1 ZINC000086296413 179267241 /nfs/dbraw/zinc/26/72/41/179267241.db2.gz YAACEOUSBVKZQP-OAHLLOKOSA-N 1 0 263.385 2.054 10 0 CEAERO CCC[C@@H]1CN(Cc2ccc3c(c2)OCO3)CCC[NH2+]1 ZINC000086295856 179267634 /nfs/dbraw/zinc/26/76/34/179267634.db2.gz RJMWMIIPHWUUSI-CQSZACIVSA-N 1 0 276.380 2.379 10 0 CEAERO CC[C@H](C)[C@@H]1CN(CCc2cscn2)CCC[NH2+]1 ZINC000086297890 179267788 /nfs/dbraw/zinc/26/77/88/179267788.db2.gz NRTCFLXQFXJFJN-JSGCOSHPSA-N 1 0 267.442 2.396 10 0 CEAERO CC[C@@]1(C)CN(Cc2scnc2C)CCC[NH2+]1 ZINC000086297130 179268388 /nfs/dbraw/zinc/26/83/88/179268388.db2.gz WIIWEOZVRBMKJV-ZDUSSCGKSA-N 1 0 253.415 2.416 10 0 CEAERO COC[C@H](C)C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000103379178 185835076 /nfs/dbraw/zinc/83/50/76/185835076.db2.gz KPZSQPHHHCWUHG-GJZGRUSLSA-N 1 0 284.444 2.142 10 0 CEAERO c1ncn(C[C@@H]2CCC[N@H+](Cc3ccc4c[nH]nc4c3)C2)n1 ZINC000128626536 187380867 /nfs/dbraw/zinc/38/08/67/187380867.db2.gz CPOUDJAZSDNFOC-CQSZACIVSA-N 1 0 296.378 2.067 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)CCOc1ccccc1 ZINC000086446323 179294563 /nfs/dbraw/zinc/29/45/63/179294563.db2.gz YJUIPIYPBNZQAS-LSDHHAIUSA-N 1 0 290.407 2.445 10 0 CEAERO CC[C@@H]1CN([C@@H](C)c2cnn(CC)c2)[C@@H](CC)C[NH2+]1 ZINC000086445329 179294797 /nfs/dbraw/zinc/29/47/97/179294797.db2.gz GKLMHNDAGOBXGM-CFVMTHIKSA-N 1 0 264.417 2.426 10 0 CEAERO CN(CC[NH+]1CCCC1)c1nc2c(s1)CCC[C@@H]2O ZINC000086444793 179295001 /nfs/dbraw/zinc/29/50/01/179295001.db2.gz CJGCFDPGVZBOGM-NSHDSACASA-N 1 0 281.425 2.045 10 0 CEAERO [NH3+]C[C@@H](O)c1nc2ccc(Br)cc2s1 ZINC000086479118 179300265 /nfs/dbraw/zinc/30/02/65/179300265.db2.gz UVXWRWIHBZPQIC-SSDOTTSWSA-N 1 0 273.155 2.051 10 0 CEAERO Nc1ccc(Br)cc1SC1C[NH2+]C1 ZINC000086478989 179300631 /nfs/dbraw/zinc/30/06/31/179300631.db2.gz GBZXBTBFSMVSMN-UHFFFAOYSA-N 1 0 259.172 2.095 10 0 CEAERO [NH3+]C[C@H](O)c1nc2ccc(Br)cc2s1 ZINC000086479120 179300645 /nfs/dbraw/zinc/30/06/45/179300645.db2.gz UVXWRWIHBZPQIC-ZETCQYMHSA-N 1 0 273.155 2.051 10 0 CEAERO [NH3+]C1(c2nc([C@@H]3Cc4ccccc43)no2)CCCC1 ZINC000086486439 179301921 /nfs/dbraw/zinc/30/19/21/179301921.db2.gz QJJXTZPZMMBLJO-GFCCVEGCSA-N 1 0 255.321 2.486 10 0 CEAERO [NH3+][C@H](Cc1nc([C@H]2Cc3ccccc32)no1)C1CC1 ZINC000086492031 179302464 /nfs/dbraw/zinc/30/24/64/179302464.db2.gz JSWMUCMZQFXBIE-QWHCGFSZSA-N 1 0 255.321 2.037 10 0 CEAERO CC[NH2+][C@H](CCCS(C)(=O)=O)[C@H]1Cc2ccccc21 ZINC000086489531 179302472 /nfs/dbraw/zinc/30/24/72/179302472.db2.gz NEKUXURYOAIPIP-LSDHHAIUSA-N 1 0 281.421 2.129 10 0 CEAERO CC[C@@H]1CN(Cc2noc(C(C)C)n2)[C@@H](CC)C[NH2+]1 ZINC000086463600 179296279 /nfs/dbraw/zinc/29/62/79/179296279.db2.gz CVMOMHSLAOLYME-NEPJUHHUSA-N 1 0 266.389 2.155 10 0 CEAERO CC[C@H]1CN(Cc2nnc(-c3ccco3)o2)[C@@H](CC)C[NH2+]1 ZINC000086463674 179296521 /nfs/dbraw/zinc/29/65/21/179296521.db2.gz KAZPKOFDUBSHFW-RYUDHWBXSA-N 1 0 290.367 2.292 10 0 CEAERO C[C@]1(C(=O)N2CCC3(CCC3)CC2)CCCC[NH2+]1 ZINC000308697252 539577815 /nfs/dbraw/zinc/57/78/15/539577815.db2.gz NOIMSILYHLDQRU-CQSZACIVSA-N 1 0 250.386 2.311 10 0 CEAERO CC[C@@H]1CN(CCC(=O)Nc2ccccc2)[C@@H](CC)C[NH2+]1 ZINC000086465692 179296942 /nfs/dbraw/zinc/29/69/42/179296942.db2.gz GDQUBQWZSUMMJP-ZBFHGGJFSA-N 1 0 289.423 2.478 10 0 CEAERO C[C@H]1CN(Cc2cn(C)c3ccccc23)[C@@H](C)C[NH2+]1 ZINC000086467099 179296961 /nfs/dbraw/zinc/29/69/61/179296961.db2.gz AXLNQCSQKMUXJZ-STQMWFEESA-N 1 0 257.381 2.361 10 0 CEAERO [NH3+][C@H]1CCC[C@H](C(=O)N2CCC3(CCC3)CC2)C1 ZINC000308702812 539577863 /nfs/dbraw/zinc/57/78/63/539577863.db2.gz UZEVGQFLYUPUHJ-STQMWFEESA-N 1 0 250.386 2.297 10 0 CEAERO [NH3+]CC1(c2ccc3c(c2)OCO3)CC2(C1)CCOCC2 ZINC000086539820 179307048 /nfs/dbraw/zinc/30/70/48/179307048.db2.gz JSMVLCXHMCEKSH-UHFFFAOYSA-N 1 0 275.348 2.202 10 0 CEAERO COc1cccc(C2(C[NH3+])CC3(C2)CCOCC3)c1 ZINC000086539837 179307218 /nfs/dbraw/zinc/30/72/18/179307218.db2.gz UUPBWCSIYAKKPP-UHFFFAOYSA-N 1 0 261.365 2.482 10 0 CEAERO C[NH2+]CC1(S(C)(=O)=O)CC2(C1)CCCCCC2 ZINC000086543536 179307436 /nfs/dbraw/zinc/30/74/36/179307436.db2.gz HOHASUXDTNQGBQ-UHFFFAOYSA-N 1 0 259.415 2.124 10 0 CEAERO CO[C@H](C)[C@H]([NH3+])Cc1ccc(F)cc1Br ZINC000086576152 179308580 /nfs/dbraw/zinc/30/85/80/179308580.db2.gz DOKWIUBYSHWDCV-RDDDGLTNSA-N 1 0 276.149 2.493 10 0 CEAERO CO[C@@H](C)[C@H]([NH3+])Cc1ccc(F)cc1Br ZINC000086576151 179308806 /nfs/dbraw/zinc/30/88/06/179308806.db2.gz DOKWIUBYSHWDCV-WRWORJQWSA-N 1 0 276.149 2.493 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]C)[C@@H]1c1ccc(OC)c(Cl)c1 ZINC000086584977 179309270 /nfs/dbraw/zinc/30/92/70/179309270.db2.gz XXBOHSQXZHHNIL-GJZGRUSLSA-N 1 0 298.814 2.330 10 0 CEAERO CCC(CC)(CC)NC(=O)[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000086643057 179315922 /nfs/dbraw/zinc/31/59/22/179315922.db2.gz UTFBGBOAKHUAOY-HNNXBMFYSA-N 1 0 295.471 2.288 10 0 CEAERO CCC(CC)(CC)NC(=O)CCOC1CC[NH2+]CC1 ZINC000086643084 179315954 /nfs/dbraw/zinc/31/59/54/179315954.db2.gz KCQMEPFNBFXSLN-UHFFFAOYSA-N 1 0 270.417 2.230 10 0 CEAERO C[C@@H](CNC1=[NH+]C[C@@H](C)CS1)N1CCCCC1 ZINC000086633179 179314922 /nfs/dbraw/zinc/31/49/22/179314922.db2.gz MQTVXRKQYOXNHN-NEPJUHHUSA-N 1 0 255.431 2.189 10 0 CEAERO C[C@@H]1C[NH+]=C(NCCc2ccc3c(c2)OCCO3)SC1 ZINC000086632615 179315151 /nfs/dbraw/zinc/31/51/51/179315151.db2.gz BMCWXRKUTGPBNV-LLVKDONJSA-N 1 0 292.404 2.329 10 0 CEAERO Cc1nc(Sc2ccnc(C(N)=[NH2+])c2)nc(C)c1C ZINC000086643823 179315745 /nfs/dbraw/zinc/31/57/45/179315745.db2.gz SVHWXPWLOWZXOR-UHFFFAOYSA-N 1 0 273.365 2.232 10 0 CEAERO Cc1nc(SCC[NH2+]C[C@H]2CCOC2)nc(C)c1C ZINC000086645148 179316306 /nfs/dbraw/zinc/31/63/06/179316306.db2.gz NUPPOCMMPNNZHJ-CYBMUJFWSA-N 1 0 281.425 2.120 10 0 CEAERO Cc1nc(SC[C@](C)(CO)[NH2+]C(C)C)nc(C)c1C ZINC000086646924 179316700 /nfs/dbraw/zinc/31/67/00/179316700.db2.gz YZDYQFSHZJRQOG-AWEZNQCLSA-N 1 0 283.441 2.243 10 0 CEAERO COCC[NH2+]C[C@@H](C)Sc1nc(C)c(C)c(C)n1 ZINC000086645410 179316805 /nfs/dbraw/zinc/31/68/05/179316805.db2.gz JFAXLTPFOBBUOS-SECBINFHSA-N 1 0 269.414 2.118 10 0 CEAERO O[C@@H](c1ccc2c(c1)OCCO2)[C@H]1[NH2+]Cc2ccccc21 ZINC000086667109 179317229 /nfs/dbraw/zinc/31/72/29/179317229.db2.gz QFLNJKZMYGYQSO-IRXDYDNUSA-N 1 0 283.327 2.336 10 0 CEAERO C[C@H](Cc1cccs1)[NH2+][C@@H]1CCC[C@@H]1S(C)(=O)=O ZINC000086673114 179318135 /nfs/dbraw/zinc/31/81/35/179318135.db2.gz BOIIJPFJPGXUOR-RTXFEEFZSA-N 1 0 287.450 2.234 10 0 CEAERO Cc1[nH]c2ccc(N[C@H]3CCC[C@H]3S(C)(=O)=O)cc2[nH+]1 ZINC000086674538 179318725 /nfs/dbraw/zinc/31/87/25/179318725.db2.gz HNHSHKQSVQILDQ-GXTWGEPZSA-N 1 0 293.392 2.249 10 0 CEAERO CS(=O)(=O)[C@@H]1CCC[C@@H]1[NH2+]CCCOc1ccccc1 ZINC000086675868 179319076 /nfs/dbraw/zinc/31/90/76/179319076.db2.gz GTNNCZWWAUQQSS-LSDHHAIUSA-N 1 0 297.420 2.011 10 0 CEAERO COC[C@H](NC(=O)Nc1cccc([C@H](C)[NH3+])c1)C(C)C ZINC000086706967 179322219 /nfs/dbraw/zinc/32/22/19/179322219.db2.gz UGBIIYULXPSLHY-FZMZJTMJSA-N 1 0 279.384 2.499 10 0 CEAERO CC1(C[NH2+][C@H]2CCC[C@@H]2S(C)(=O)=O)CCCC1 ZINC000086676101 179319289 /nfs/dbraw/zinc/31/92/89/179319289.db2.gz DUDSCSMIFCLELC-RYUDHWBXSA-N 1 0 259.415 2.122 10 0 CEAERO C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCC[C@@H]1S(C)(=O)=O ZINC000086675995 179319341 /nfs/dbraw/zinc/31/93/41/179319341.db2.gz PHLDTZGYUQSLHU-DFBGVHRSSA-N 1 0 299.411 2.312 10 0 CEAERO CCc1ccccc1C[NH2+][C@H]1CCC[C@@H]1S(C)(=O)=O ZINC000086676224 179319397 /nfs/dbraw/zinc/31/93/97/179319397.db2.gz NTJNAAHCNUFIOT-GJZGRUSLSA-N 1 0 281.421 2.304 10 0 CEAERO CCN(Cc1cnc(Cl)s1)[C@@H]1CCC[NH2+]C1 ZINC000086777863 179329295 /nfs/dbraw/zinc/32/92/95/179329295.db2.gz BXKLHZUBSAINCA-SECBINFHSA-N 1 0 259.806 2.370 10 0 CEAERO C[C@H]1CCC[C@@](C[NH3+])(OCC(=O)N2CCCCCC2)C1 ZINC000086712455 179322902 /nfs/dbraw/zinc/32/29/02/179322902.db2.gz ZVXOFRPREMJPNU-GOEBONIOSA-N 1 0 282.428 2.313 10 0 CEAERO C[NH2+][C@H](Cc1csc(C)n1)Cc1nccs1 ZINC000086827577 179348436 /nfs/dbraw/zinc/34/84/36/179348436.db2.gz HVHMFEADAIDPIC-SECBINFHSA-N 1 0 253.396 2.281 10 0 CEAERO CCOC(=O)[C@]1(NCc2cccs2)CCC[N@H+](C)CC1 ZINC000086833379 179350596 /nfs/dbraw/zinc/35/05/96/179350596.db2.gz GTYKPTQDWPJEFP-HNNXBMFYSA-N 1 0 296.436 2.255 10 0 CEAERO CC[C@]1(C(=O)[O-])CCC[N@@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC000086834589 179350604 /nfs/dbraw/zinc/35/06/04/179350604.db2.gz FCNZPVYFWMMZLV-HIFRSBDPSA-N 1 0 268.401 2.048 10 0 CEAERO CCC[N@@H+]1CCC[C@@H](Nc2cccc(C(N)=O)c2)CC1 ZINC000086836282 179351000 /nfs/dbraw/zinc/35/10/00/179351000.db2.gz JPSFKRQTAKAWFK-CQSZACIVSA-N 1 0 275.396 2.462 10 0 CEAERO COC(=O)[C@H](CC(C)C)N[C@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086838329 179352074 /nfs/dbraw/zinc/35/20/74/179352074.db2.gz RBINWAIGCDNPEH-GJZGRUSLSA-N 1 0 284.444 2.427 10 0 CEAERO CC[N@@H+]1CCC[C@@](CO)(Nc2ccccc2OC)CC1 ZINC000086868143 179360120 /nfs/dbraw/zinc/36/01/20/179360120.db2.gz GGSKREMYGVGKBJ-MRXNPFEDSA-N 1 0 278.396 2.344 10 0 CEAERO CCC[C@@H](c1nccc(C2CC2)n1)N1CC[NH2+]CC1 ZINC000104061391 185888818 /nfs/dbraw/zinc/88/88/18/185888818.db2.gz NODHWVALSQSOQV-AWEZNQCLSA-N 1 0 260.385 2.100 10 0 CEAERO CC[N@@H+]1CCC[C@@](CO)(NCc2ccccc2)CC1 ZINC000086867913 179360973 /nfs/dbraw/zinc/36/09/73/179360973.db2.gz VTDREBWYDIBKKE-MRXNPFEDSA-N 1 0 262.397 2.013 10 0 CEAERO CCC[C@@](C)([NH2+][C@H]1CCC[N@@H+](C(C)C)CC1)C(=O)[O-] ZINC000086868659 179362091 /nfs/dbraw/zinc/36/20/91/179362091.db2.gz HVNZCNGIEKGVJX-DZGCQCFKSA-N 1 0 270.417 2.482 10 0 CEAERO Cc1ccc(CN(C)[C@]2(C[NH3+])CCCOCC2)cc1 ZINC000086874864 179364997 /nfs/dbraw/zinc/36/49/97/179364997.db2.gz PAWOOMIGWHMPOL-MRXNPFEDSA-N 1 0 262.397 2.325 10 0 CEAERO CC[N@@H+]1CCC[C@@H]([NH+](CCC(=O)[O-])C(C)C)CC1 ZINC000086868764 179362846 /nfs/dbraw/zinc/36/28/46/179362846.db2.gz KVTDRXFGFBDJSE-CYBMUJFWSA-N 1 0 256.390 2.046 10 0 CEAERO [NH3+]C[C@@]1(N2CCc3sccc3C2)CCCOCC1 ZINC000086874754 179364709 /nfs/dbraw/zinc/36/47/09/179364709.db2.gz IGVIIVSYIFDRPI-CQSZACIVSA-N 1 0 266.410 2.004 10 0 CEAERO CC[N@@H+]1CCC[C@](O)(c2ccc(OC)cc2OC)CC1 ZINC000086852272 179358969 /nfs/dbraw/zinc/35/89/69/179358969.db2.gz LTRHSTZCXHAOKO-MRXNPFEDSA-N 1 0 279.380 2.397 10 0 CEAERO CCS(=O)(=O)CCC[C@H](Cc1ccc(F)cc1)[NH2+]C ZINC000086978831 179372551 /nfs/dbraw/zinc/37/25/51/179372551.db2.gz UGJYUDJLTQHEAN-CQSZACIVSA-N 1 0 287.400 2.171 10 0 CEAERO CC[C@@H]1CCC[C@@]([NH3+])(CCCS(=O)(=O)CC)C1 ZINC000086977453 179372592 /nfs/dbraw/zinc/37/25/92/179372592.db2.gz XSOPJQJSWBOJCR-CHWSQXEVSA-N 1 0 261.431 2.499 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH2+]C)c1ccc(F)cc1 ZINC000086978477 179372643 /nfs/dbraw/zinc/37/26/43/179372643.db2.gz CKOHIADEZXWTLC-CYBMUJFWSA-N 1 0 273.373 2.301 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH3+])Cc1ccccc1Cl ZINC000086979182 179372903 /nfs/dbraw/zinc/37/29/03/179372903.db2.gz CHYRSAIEASOJRW-LBPRGKRZSA-N 1 0 289.828 2.425 10 0 CEAERO CCS(=O)(=O)CCC[C@H](C[NH3+])Cc1ccccc1 ZINC000086980661 179373051 /nfs/dbraw/zinc/37/30/51/179373051.db2.gz NKFFQRNDNLMWLY-AWEZNQCLSA-N 1 0 269.410 2.019 10 0 CEAERO CC[C@](C)(CCCS(=O)(=O)CC)C[NH2+]C1CC1 ZINC000086981148 179373151 /nfs/dbraw/zinc/37/31/51/179373151.db2.gz QMPZOWREAMHZMB-CYBMUJFWSA-N 1 0 261.431 2.370 10 0 CEAERO [NH3+][C@@]1(c2nc3c(s2)CCCC3)CCCOCC1 ZINC000086876919 179365341 /nfs/dbraw/zinc/36/53/41/179365341.db2.gz ZKUOJGDKJUONBQ-ZDUSSCGKSA-N 1 0 252.383 2.376 10 0 CEAERO CCOC(=O)[C@@]1(NCC[NH+](C)C)CCC[C@@H](C)CC1 ZINC000086891994 179365950 /nfs/dbraw/zinc/36/59/50/179365950.db2.gz OXTPMPFXSZNCHB-UKRRQHHQSA-N 1 0 270.417 2.040 10 0 CEAERO CCOC(=O)[C@]1(NCC[NH+](C)C)CCC[C@@H](C)CC1 ZINC000086891993 179366462 /nfs/dbraw/zinc/36/64/62/179366462.db2.gz OXTPMPFXSZNCHB-HIFRSBDPSA-N 1 0 270.417 2.040 10 0 CEAERO CC1(C)CCC[C@@](C[NH3+])(N2CCn3ccnc3C2)CC1 ZINC000086913313 179367115 /nfs/dbraw/zinc/36/71/15/179367115.db2.gz USENLFISJDBJFZ-MRXNPFEDSA-N 1 0 276.428 2.387 10 0 CEAERO Cn1cnnc1CC[NH2+][C@@H]1CCCC(C)(C)CC1 ZINC000086909070 179367242 /nfs/dbraw/zinc/36/72/42/179367242.db2.gz QSFNGPSGICSBNV-GFCCVEGCSA-N 1 0 250.390 2.306 10 0 CEAERO CCC[C@@H]1CCC[C@@H]([NH2+]C2CCN(CC(N)=O)CC2)CC1 ZINC000086943277 179368041 /nfs/dbraw/zinc/36/80/41/179368041.db2.gz PYLSQZXPVQAKNW-HUUCEWRRSA-N 1 0 295.471 2.275 10 0 CEAERO CC(C)[C@@H]1CCC[C@H]([NH2+]CC(=O)NC2CC2)CC1 ZINC000086939629 179368177 /nfs/dbraw/zinc/36/81/77/179368177.db2.gz UPGICGCZCHSFPR-OLZOCXBDSA-N 1 0 252.402 2.460 10 0 CEAERO CC(C)(C)[C@@H]1CCC[C@](C(N)=O)(N2CCC[NH2+]CC2)CC1 ZINC000086959771 179368632 /nfs/dbraw/zinc/36/86/32/179368632.db2.gz MMCSKCYXFJALDN-PBHICJAKSA-N 1 0 295.471 2.132 10 0 CEAERO COC(=O)[C@]1(NCC[NH+](C)C)CCC[C@@H](C(C)C)CC1 ZINC000086949897 179369101 /nfs/dbraw/zinc/36/91/01/179369101.db2.gz WXDMLHAHNZGGRH-ZBFHGGJFSA-N 1 0 284.444 2.286 10 0 CEAERO CCC[NH2+][C@@H](CCCOC)Cc1ccnc(N)c1 ZINC000086970758 179370596 /nfs/dbraw/zinc/37/05/96/179370596.db2.gz SGJHWAHEJGDAFS-ZDUSSCGKSA-N 1 0 251.374 2.001 10 0 CEAERO COCCCc1nc(C)c([C@@H](C)C[NH2+]CCOC)c(C)n1 ZINC000086971637 179370724 /nfs/dbraw/zinc/37/07/24/179370724.db2.gz AKBLIGSGRUXAET-LBPRGKRZSA-N 1 0 295.427 2.012 10 0 CEAERO C[NH2+][C@@H](Cc1ccncc1)[C@H]1CSCCS1 ZINC000086985085 179373904 /nfs/dbraw/zinc/37/39/04/179373904.db2.gz TWMKXVMEIUMLRK-NWDGAFQWSA-N 1 0 254.424 2.061 10 0 CEAERO CC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(O)c(OC)c1 ZINC000087011316 179378990 /nfs/dbraw/zinc/37/89/90/179378990.db2.gz YOZZANNEJWOQIW-HZMBPMFUSA-N 1 0 253.342 2.212 10 0 CEAERO OC1(C[NH2+]Cc2cc3c(c(Cl)c2)OCO3)CCCC1 ZINC000087016385 179380321 /nfs/dbraw/zinc/38/03/21/179380321.db2.gz VGSQEHYYAJNBKJ-UHFFFAOYSA-N 1 0 283.755 2.463 10 0 CEAERO OC1(C[NH2+][C@@H]2CCN(CCc3ccccc3)C2)CCCC1 ZINC000087016464 179380533 /nfs/dbraw/zinc/38/05/33/179380533.db2.gz JFAZCUIFCSODCN-QGZVFWFLSA-N 1 0 288.435 2.198 10 0 CEAERO [NH3+][C@@H](Cc1ccncc1Cl)[C@H]1CSCCS1 ZINC000086983964 179374174 /nfs/dbraw/zinc/37/41/74/179374174.db2.gz HEZSKDOSUCLLPM-WDEREUQCSA-N 1 0 274.842 2.453 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]1CCCC[C@H]([NH2+]C)C1 ZINC000086981736 179374198 /nfs/dbraw/zinc/37/41/98/179374198.db2.gz ZHOVGLMTIZTNHT-STQMWFEESA-N 1 0 261.431 2.370 10 0 CEAERO CC[NH2+][C@H](Cc1ccsc1)[C@H]1CSCCO1 ZINC000086989191 179374595 /nfs/dbraw/zinc/37/45/95/179374595.db2.gz FUQWNJLZNQPMAT-VXGBXAGGSA-N 1 0 257.424 2.401 10 0 CEAERO [NH3+][C@H](Cc1ccc(Cl)cc1)[C@H]1CSCCO1 ZINC000086987588 179374799 /nfs/dbraw/zinc/37/47/99/179374799.db2.gz LYXHVEPQASTZEK-VXGBXAGGSA-N 1 0 257.786 2.342 10 0 CEAERO CCc1ccc(C[C@@H]([NH3+])[C@@H]2CSCCO2)s1 ZINC000086987938 179374800 /nfs/dbraw/zinc/37/48/00/179374800.db2.gz AKNORABLRPFWQL-NEPJUHHUSA-N 1 0 257.424 2.312 10 0 CEAERO CC[C@@](C)(O)C[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000087027797 179381924 /nfs/dbraw/zinc/38/19/24/179381924.db2.gz WEVHGMMCKWAWHW-QWHCGFSZSA-N 1 0 291.313 2.489 10 0 CEAERO COc1ccc([C@@H](O)[C@H]2CCCCC[NH2+]2)cc1F ZINC000086994458 179375889 /nfs/dbraw/zinc/37/58/89/179375889.db2.gz WBTWPDVKRPNYTQ-TZMCWYRMSA-N 1 0 253.317 2.400 10 0 CEAERO CCCN1C(=O)CC[C@@H]([NH3+])[C@@H]1c1ccc(OC)c(F)c1 ZINC000086995162 179375935 /nfs/dbraw/zinc/37/59/35/179375935.db2.gz RZPUSZKNRLRIDG-DOMZBBRYSA-N 1 0 280.343 2.235 10 0 CEAERO c1cc2c(cc1[C@@H]1C[NH2+]CC3(CCCC3)O1)OCCO2 ZINC000087007868 179378569 /nfs/dbraw/zinc/37/85/69/179378569.db2.gz BWUYKSSMAZJVSJ-HNNXBMFYSA-N 1 0 275.348 2.432 10 0 CEAERO CCC1CCC(O)(C[NH2+]C[C@H]2CCCOC2)CC1 ZINC000087061077 179389453 /nfs/dbraw/zinc/38/94/53/179389453.db2.gz UCZVHQJTCWZVIE-SHARSMKWSA-N 1 0 255.402 2.334 10 0 CEAERO CCC1CCC(O)(C[NH2+]Cc2c(C)nn(C)c2C)CC1 ZINC000087052882 179388943 /nfs/dbraw/zinc/38/89/43/179388943.db2.gz FVSLJAMHAOHEGF-UHFFFAOYSA-N 1 0 279.428 2.458 10 0 CEAERO COc1ccc(C[C@]2(C)C[NH2+]CC(C)(C)O2)cc1OC ZINC000087090398 179394360 /nfs/dbraw/zinc/39/43/60/179394360.db2.gz LZSKLHLJMAINRX-MRXNPFEDSA-N 1 0 279.380 2.403 10 0 CEAERO CCCSC[C@H](Cc1cnccc1N)[NH2+]CC ZINC000087107756 179395465 /nfs/dbraw/zinc/39/54/65/179395465.db2.gz GFTMJFWOYORPGZ-LBPRGKRZSA-N 1 0 253.415 2.328 10 0 CEAERO CC1(C)CCC(O)(C[NH2+]CCCn2ccnc2)CC1 ZINC000087063616 179390075 /nfs/dbraw/zinc/39/00/75/179390075.db2.gz CPJGGTAGUSBOJV-UHFFFAOYSA-N 1 0 265.401 2.194 10 0 CEAERO C[C@H]1CCC[C@](O)(C[NH2+]CCCOCC(F)(F)F)C1 ZINC000087064647 179390238 /nfs/dbraw/zinc/39/02/38/179390238.db2.gz CKTQFVMPTVVCSZ-NWDGAFQWSA-N 1 0 283.334 2.486 10 0 CEAERO CCOC(=O)C[C@H](C)[NH2+]CC1(O)CCC(CC)CC1 ZINC000087066272 179390797 /nfs/dbraw/zinc/39/07/97/179390797.db2.gz FCPKWFCLMCEINN-OPFPJEHXSA-N 1 0 271.401 2.249 10 0 CEAERO Cn1c2cccc(F)c2nc1N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000334996292 282601080 /nfs/dbraw/zinc/60/10/80/282601080.db2.gz PDZFDDHMUPTTCW-GFCCVEGCSA-N 1 0 276.359 2.276 10 0 CEAERO CCC[C@]1(C(=O)NCC2(O)CCC(CC)CC2)CC[NH2+]C1 ZINC000087070362 179391371 /nfs/dbraw/zinc/39/13/71/179391371.db2.gz KAQNBLGJKWMFCL-WIHSUSGWSA-N 1 0 296.455 2.214 10 0 CEAERO CCC[NH2+][C@@H](CSCCC)Cc1cnn(C)c1 ZINC000087108014 179395517 /nfs/dbraw/zinc/39/55/17/179395517.db2.gz FPJMYLSZBYKFMR-CYBMUJFWSA-N 1 0 255.431 2.474 10 0 CEAERO CCOc1cc2c(cc1[C@H]1C[NH2+]CCO1)O[C@H](C)C2 ZINC000087090034 179393419 /nfs/dbraw/zinc/39/34/19/179393419.db2.gz DUWGHONOLBGTTL-MEBBXXQBSA-N 1 0 263.337 2.070 10 0 CEAERO [NH3+][C@H](CC(=O)NCC1(O)CCCCCC1)c1ccccc1 ZINC000087089792 179393826 /nfs/dbraw/zinc/39/38/26/179393826.db2.gz VXEWZKQQIRZXSB-OAHLLOKOSA-N 1 0 290.407 2.278 10 0 CEAERO CC[C@H]1C[NH2+]C[C@H](c2cc(OC)ccc2OC)O1 ZINC000087090349 179394095 /nfs/dbraw/zinc/39/40/95/179394095.db2.gz ZUGQZOAYRPUSMD-IINYFYTJSA-N 1 0 251.326 2.143 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)OCc1cccc(Cl)c1 ZINC000087090533 179394192 /nfs/dbraw/zinc/39/41/92/179394192.db2.gz PRLAMEZROCQSEH-BXKDBHETSA-N 1 0 253.729 2.239 10 0 CEAERO COc1c(C)c[nH+]c(C[C@]2(O)CCO[C@H](C)C2)c1C ZINC000087182283 179398996 /nfs/dbraw/zinc/39/89/96/179398996.db2.gz TUIODGOUXMSDBR-ABAIWWIYSA-N 1 0 265.353 2.180 10 0 CEAERO COc1ccc(C[C@](C)(O)[C@H]2CCC[NH2+]C2)cc1F ZINC000087172676 179399436 /nfs/dbraw/zinc/39/94/36/179399436.db2.gz ZMXKUXCWOYMCPY-WFASDCNBSA-N 1 0 267.344 2.127 10 0 CEAERO Cc1nn(CCC[C@H]2CCCO2)c(C)c1C[C@H](C)[NH3+] ZINC000087277337 179407165 /nfs/dbraw/zinc/40/71/65/179407165.db2.gz IXBQTVDKRSDCOZ-FZMZJTMJSA-N 1 0 265.401 2.349 10 0 CEAERO CC(C)C[NH2+]Cc1ccnn1CC[C@@H]1CCCO1 ZINC000087278539 179407429 /nfs/dbraw/zinc/40/74/29/179407429.db2.gz LJDYAZHWIXCJLA-AWEZNQCLSA-N 1 0 251.374 2.198 10 0 CEAERO C[C@@H](O)[C@H](C)Oc1ccc(Br)cc1C[NH3+] ZINC000087125350 179395876 /nfs/dbraw/zinc/39/58/76/179395876.db2.gz CEUGAWHHDFALBX-SFYZADRCSA-N 1 0 274.158 2.056 10 0 CEAERO CC[NH2+][C@@H](C)Cc1nc(CSCC(C)C)no1 ZINC000087121371 179396303 /nfs/dbraw/zinc/39/63/03/179396303.db2.gz AGIMMBOAHJITLK-JTQLQIEISA-N 1 0 257.403 2.499 10 0 CEAERO CCOCC[C@H](O)[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000087348881 179414926 /nfs/dbraw/zinc/41/49/26/179414926.db2.gz OBBLDORLRPXQKK-STQMWFEESA-N 1 0 257.761 2.170 10 0 CEAERO CCC[C@@H](C[NH3+])Nc1ccc(C(N)=O)c(C(F)(F)F)c1 ZINC000087405471 179419994 /nfs/dbraw/zinc/41/99/94/179419994.db2.gz ZXDCGORTNCKUCC-VIFPVBQESA-N 1 0 289.301 2.344 10 0 CEAERO CCC[C@H](C[NH3+])NS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000087404282 179420062 /nfs/dbraw/zinc/42/00/62/179420062.db2.gz NGILOIGGGYSRMK-CYBMUJFWSA-N 1 0 284.425 2.216 10 0 CEAERO C[C@@H]1C[N@H+](CCC[C@@H]2CCCO2)[C@@](C)(C2CC2)CN1 ZINC000087291206 179408993 /nfs/dbraw/zinc/40/89/93/179408993.db2.gz GIEOECAHOMJIAQ-FVQBIDKESA-N 1 0 266.429 2.408 10 0 CEAERO CCC[NH2+]C[C@@H]1CCCCN1c1nc(CC)ns1 ZINC000087643792 179462834 /nfs/dbraw/zinc/46/28/34/179462834.db2.gz WFWVZCSNAUFSRW-NSHDSACASA-N 1 0 268.430 2.459 10 0 CEAERO CCC[NH2+]C[C@@H]1CCCN1c1nc(CCC)ns1 ZINC000087643701 179463058 /nfs/dbraw/zinc/46/30/58/179463058.db2.gz ZTYPPWZSLNDIQM-NSHDSACASA-N 1 0 268.430 2.459 10 0 CEAERO [NH3+]C1CC(Nc2ccc(I)cc2)C1 ZINC000087651297 179463747 /nfs/dbraw/zinc/46/37/47/179463747.db2.gz LVISCYXZHFSTTF-UHFFFAOYSA-N 1 0 288.132 2.193 10 0 CEAERO C[C@H]([NH3+])CCC[C@H](C)C(=O)N[C@@H](C)c1ccccn1 ZINC000087684581 179470386 /nfs/dbraw/zinc/47/03/86/179470386.db2.gz BJGUTNBRORXEOL-AVGNSLFASA-N 1 0 263.385 2.412 10 0 CEAERO Cc1ccc(CNC(=O)[C@@H](C)CCC[C@H](C)[NH3+])n1C ZINC000087685441 179470571 /nfs/dbraw/zinc/47/05/71/179470571.db2.gz YNEIJQNLCHEIAE-RYUDHWBXSA-N 1 0 265.401 2.103 10 0 CEAERO Cc1cc(C(N)=O)ccc1NC(=O)[C@@H](C)CCC[C@H](C)[NH3+] ZINC000087693765 179471292 /nfs/dbraw/zinc/47/12/92/179471292.db2.gz CBHPXEOWPVCRSK-JQWIXIFHSA-N 1 0 291.395 2.186 10 0 CEAERO CCc1nc(C)c(C[C@H](C)C[NH2+]CCOC)c(C)n1 ZINC000087707559 179475137 /nfs/dbraw/zinc/47/51/37/179475137.db2.gz FMPHXSZKQGDYTB-NSHDSACASA-N 1 0 265.401 2.070 10 0 CEAERO CC(C)(C[C@@H]([NH3+])c1ccc(OC(F)(F)F)cc1)C(N)=O ZINC000087721539 179477419 /nfs/dbraw/zinc/47/74/19/179477419.db2.gz BRASWDHRZJXHRO-SNVBAGLBSA-N 1 0 290.285 2.487 10 0 CEAERO CCC[NH2+]CCOCCc1cc(OC)ccc1OC ZINC000087730474 179478954 /nfs/dbraw/zinc/47/89/54/179478954.db2.gz LNZUKCMEEUWENV-UHFFFAOYSA-N 1 0 267.369 2.263 10 0 CEAERO COc1ccc([C@@H](C)[NH3+])cc1CN1C(=O)CC(C)(C)C1=O ZINC000087728524 179478968 /nfs/dbraw/zinc/47/89/68/179478968.db2.gz XSPYLGTYRHZSHJ-SNVBAGLBSA-N 1 0 290.363 2.000 10 0 CEAERO C[NH2+]CCOCCc1cc2c(cc1Cl)OCCCO2 ZINC000087730809 179479253 /nfs/dbraw/zinc/47/92/53/179479253.db2.gz LYAHKIGTAMBAHC-UHFFFAOYSA-N 1 0 285.771 2.280 10 0 CEAERO O=C(C[NH2+]C1CCCC1)N1CCC[C@@H]2CCC[C@H]21 ZINC000087769588 179483737 /nfs/dbraw/zinc/48/37/37/179483737.db2.gz SYAATEBEVYQYHR-GXTWGEPZSA-N 1 0 250.386 2.310 10 0 CEAERO CCCC[C@@H](C[NH3+])Nc1ncc(Br)cn1 ZINC000087780009 179484561 /nfs/dbraw/zinc/48/45/61/179484561.db2.gz NTJRZEKZIPPDCF-VIFPVBQESA-N 1 0 273.178 2.169 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000087519610 179439421 /nfs/dbraw/zinc/43/94/21/179439421.db2.gz DYLLASPXLLZQQW-YPMHNXCESA-N 1 0 292.379 2.010 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000087525134 179440700 /nfs/dbraw/zinc/44/07/00/179440700.db2.gz UCGHYSJKMZKYIV-GFCCVEGCSA-N 1 0 285.391 2.428 10 0 CEAERO CC[NH2+][C@@H](CC(N)=O)c1ccc(OC(F)(F)F)cc1 ZINC000087549867 179444343 /nfs/dbraw/zinc/44/43/43/179444343.db2.gz ZOXQQKFVHDJQCX-JTQLQIEISA-N 1 0 276.258 2.111 10 0 CEAERO CCC[C@H](COC)NC(=O)CC1([NH2+]C)CCCCC1 ZINC000087577996 179448938 /nfs/dbraw/zinc/44/89/38/179448938.db2.gz ZVDODPLBXNHOLD-CYBMUJFWSA-N 1 0 270.417 2.230 10 0 CEAERO CC(C)(C[NH3+])CCSc1nnc2n1CCCCC2 ZINC000087591345 179451310 /nfs/dbraw/zinc/45/13/10/179451310.db2.gz ZIRBKQPYZQYFCM-UHFFFAOYSA-N 1 0 268.430 2.472 10 0 CEAERO CN(C(=O)OC(C)(C)C)c1cccc([C@H]2C[NH2+]CCN2)c1 ZINC000616630169 348540332 /nfs/dbraw/zinc/54/03/32/348540332.db2.gz MIHRUZDQCWCXOP-CQSZACIVSA-N 1 0 291.395 2.292 10 0 CEAERO Nc1ccc([C@H]2C[NH2+]CCN2Cc2ccccc2)cc1 ZINC000616635494 348541952 /nfs/dbraw/zinc/54/19/52/348541952.db2.gz GLOZRJDUQYWKCT-QGZVFWFLSA-N 1 0 267.376 2.415 10 0 CEAERO CC(C)(C)[N@@H+]1CCN[C@H](c2cc3ccccc3nn2)C1 ZINC000616634740 348542351 /nfs/dbraw/zinc/54/23/51/348542351.db2.gz WHQRBCMYPNDGCN-HNNXBMFYSA-N 1 0 270.380 2.375 10 0 CEAERO CCOC(=O)N1CC[NH2+]C[C@H]1c1ccc2ccncc2c1 ZINC000616636701 348543204 /nfs/dbraw/zinc/54/32/04/348543204.db2.gz GZJPPTWTWYEOGT-HNNXBMFYSA-N 1 0 285.347 2.338 10 0 CEAERO CC(=O)Nc1ccccc1[C@@H]1COCC[N@@H+](C(C)C)C1 ZINC000616660069 348552013 /nfs/dbraw/zinc/55/20/13/348552013.db2.gz KONRWKSNYOECSX-AWEZNQCLSA-N 1 0 276.380 2.469 10 0 CEAERO CC(C)(C)[N@@H+]1CCO[C@@H](c2cccc(CCO)c2)C1 ZINC000616646108 348545933 /nfs/dbraw/zinc/54/59/33/348545933.db2.gz XKBYFUNDSQGHNQ-OAHLLOKOSA-N 1 0 263.381 2.393 10 0 CEAERO CC(C)[N@@H+]1CCO[C@H](c2ccc3nnccc3c2)C1 ZINC000616648133 348546903 /nfs/dbraw/zinc/54/69/03/348546903.db2.gz RHZABYJWSBRKER-HNNXBMFYSA-N 1 0 257.337 2.412 10 0 CEAERO Cc1c(OCCC(C)C)nc(C2CC2)[nH+]c1NN ZINC000087919139 179523280 /nfs/dbraw/zinc/52/32/80/179523280.db2.gz GAZNOUIAGXLIMH-UHFFFAOYSA-N 1 0 250.346 2.373 10 0 CEAERO CC(C)[N@@H+]1CCCO[C@H](c2ccc(CCO)cc2)C1 ZINC000616648810 348547277 /nfs/dbraw/zinc/54/72/77/348547277.db2.gz CWPNPIQYVRJIOM-INIZCTEOSA-N 1 0 263.381 2.393 10 0 CEAERO c1nnoc1[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000616651674 348548646 /nfs/dbraw/zinc/54/86/46/348548646.db2.gz DUAMKCLTUJHCSD-AWEZNQCLSA-N 1 0 259.309 2.033 10 0 CEAERO C[NH2+][C@H](C)[C@H](c1nc([C@@H]2CCCOC2)no1)C(C)C ZINC000087815789 179491846 /nfs/dbraw/zinc/49/18/46/179491846.db2.gz LEXTWVCRADMUCD-IJLUTSLNSA-N 1 0 267.373 2.311 10 0 CEAERO CSc1nc(N(C)Cc2cccs2)cc(NN)[nH+]1 ZINC000087853609 179501157 /nfs/dbraw/zinc/50/11/57/179501157.db2.gz DUFHGMBSUHHNPT-UHFFFAOYSA-N 1 0 281.410 2.182 10 0 CEAERO CCCCCN(C)c1cc(NN)[nH+]c(SC)n1 ZINC000087852747 179501290 /nfs/dbraw/zinc/50/12/90/179501290.db2.gz IWFKFDVIEDYNEW-UHFFFAOYSA-N 1 0 255.391 2.111 10 0 CEAERO CC[NH2+][C@H](C)Cc1nc([C@@H]2COc3ccccc3O2)no1 ZINC000087855862 179501737 /nfs/dbraw/zinc/50/17/37/179501737.db2.gz XOOIZCCSEHTUNE-MFKMUULPSA-N 1 0 289.335 2.123 10 0 CEAERO [NH3+][C@H](Cc1ccc(Cl)c(Cl)c1)[C@H]1COCCO1 ZINC000087857370 179502186 /nfs/dbraw/zinc/50/21/86/179502186.db2.gz CAULIKYVFRZAQQ-VXGBXAGGSA-N 1 0 276.163 2.279 10 0 CEAERO C[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)[C@@H]1COCCO1 ZINC000087857579 179502521 /nfs/dbraw/zinc/50/25/21/179502521.db2.gz GLZCDBHTQOJNJF-RYUDHWBXSA-N 1 0 291.269 2.261 10 0 CEAERO CC(C)=CC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000616572946 348524397 /nfs/dbraw/zinc/52/43/97/348524397.db2.gz XTBIRXGZWYUWAW-CABCVRRESA-N 1 0 276.355 2.354 10 0 CEAERO C[NH2+][C@@H]1CCCc2c1cnn2[C@H]1CCCCC[C@@H]1O ZINC000087862460 179504700 /nfs/dbraw/zinc/50/47/00/179504700.db2.gz YEFJMVRPSGPVMV-SNPRPXQTSA-N 1 0 263.385 2.346 10 0 CEAERO CC[C@@H]1CCCC[C@H]1Nc1nc(NN)[nH+]cc1F ZINC000087865190 179504877 /nfs/dbraw/zinc/50/48/77/179504877.db2.gz CJDTYIRTKPVLPH-PSASIEDQSA-N 1 0 253.325 2.282 10 0 CEAERO [NH3+]CCN1CC[C@H](c2ccccn2)c2ccccc21 ZINC000616587788 348526777 /nfs/dbraw/zinc/52/67/77/348526777.db2.gz GRURWDLNAIMTHY-ZDUSSCGKSA-N 1 0 253.349 2.382 10 0 CEAERO NC(=O)c1ccc([C@H]2CCN(CC[NH3+])c3ccccc32)cc1 ZINC000616589801 348527774 /nfs/dbraw/zinc/52/77/74/348527774.db2.gz VOGWBQVBVOWCGJ-OAHLLOKOSA-N 1 0 295.386 2.086 10 0 CEAERO C[C@H]1CC=CC[C@H]1COc1nc(NN)[nH+]cc1Cl ZINC000087876838 179507564 /nfs/dbraw/zinc/50/75/64/179507564.db2.gz DDFHUJOHVFXDMY-IUCAKERBSA-N 1 0 268.748 2.397 10 0 CEAERO CC[N@@H+]1CCCO[C@H](c2ccccc2NC(C)=O)C1 ZINC000616598633 348530043 /nfs/dbraw/zinc/53/00/43/348530043.db2.gz OJPOFCGVFZIBOG-HNNXBMFYSA-N 1 0 262.353 2.428 10 0 CEAERO CC[N@@H+]1CCCOC[C@@H]1c1cc2ccccc2nn1 ZINC000616599351 348530353 /nfs/dbraw/zinc/53/03/53/348530353.db2.gz JVUVIEUYCJVDIK-OAHLLOKOSA-N 1 0 257.337 2.413 10 0 CEAERO CSc1nc(NC[C@@H](C)C(C)C)cc(NN)[nH+]1 ZINC000087881716 179509382 /nfs/dbraw/zinc/50/93/82/179509382.db2.gz KDQJFWNRDWKNGV-MRVPVSSYSA-N 1 0 255.391 2.188 10 0 CEAERO [NH3+]CCN1CCCOC[C@@H]1c1ccccc1Cl ZINC000616599831 348530577 /nfs/dbraw/zinc/53/05/77/348530577.db2.gz QIQBDCJXNLVOQT-CYBMUJFWSA-N 1 0 254.761 2.062 10 0 CEAERO OCc1ccccc1[C@H]1C[N@H+](Cc2ccccc2)CCN1 ZINC000616602357 348531225 /nfs/dbraw/zinc/53/12/25/348531225.db2.gz ZYBKPLPUZDHKLJ-GOSISDBHSA-N 1 0 282.387 2.325 10 0 CEAERO NNc1nc(Oc2ccc(F)c(F)c2)c(Cl)c[nH+]1 ZINC000087884913 179510795 /nfs/dbraw/zinc/51/07/95/179510795.db2.gz QNQRMURHDFSJIW-UHFFFAOYSA-N 1 0 272.642 2.486 10 0 CEAERO CC(C)(C)[N@@H+]1CCN[C@H](c2cccc3nnccc32)C1 ZINC000616603842 348532147 /nfs/dbraw/zinc/53/21/47/348532147.db2.gz RBWNXWPOEGNJEN-HNNXBMFYSA-N 1 0 270.380 2.375 10 0 CEAERO CC(C)[N@@H+]1CCOC[C@@H](c2ccc(CCO)cc2)C1 ZINC000616659319 348551230 /nfs/dbraw/zinc/55/12/30/348551230.db2.gz FSFVAIFWRNJFBZ-INIZCTEOSA-N 1 0 263.381 2.046 10 0 CEAERO Nc1ccn([C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000616610005 348533583 /nfs/dbraw/zinc/53/35/83/348533583.db2.gz DSBJCBZYZBXSPP-AWEZNQCLSA-N 1 0 256.353 2.133 10 0 CEAERO [NH3+]CCN1CCC[C@@H](c2ccc3ccccc3n2)C1 ZINC000616621145 348537111 /nfs/dbraw/zinc/53/71/11/348537111.db2.gz PIAXAUUYPLGMEP-CQSZACIVSA-N 1 0 255.365 2.373 10 0 CEAERO [NH3+]CCN1CCC[C@H](c2nccc3ccccc32)C1 ZINC000616621936 348538015 /nfs/dbraw/zinc/53/80/15/348538015.db2.gz VMFFTGPIYJCSQB-AWEZNQCLSA-N 1 0 255.365 2.373 10 0 CEAERO CC(=O)Nc1ccccc1[C@H]1CCCC[N@@H+]1CCO ZINC000616625289 348538458 /nfs/dbraw/zinc/53/84/58/348538458.db2.gz JFEXNTLHJAGUPR-OAHLLOKOSA-N 1 0 262.353 2.164 10 0 CEAERO Cc1ccc(Br)c(C(=O)NCC[C@@H](C)[NH3+])c1 ZINC000088027960 179537166 /nfs/dbraw/zinc/53/71/66/179537166.db2.gz GTCNMYCRRWFKRB-SECBINFHSA-N 1 0 285.185 2.225 10 0 CEAERO C[C@H](CC[NH3+])[S@](=O)Cc1c(F)cccc1Cl ZINC000088087277 179546493 /nfs/dbraw/zinc/54/64/93/179546493.db2.gz GJAPLGUZXNPBEC-BCTVWOGZSA-N 1 0 263.765 2.465 10 0 CEAERO CC(C)c1nsc(N2CCC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000087642774 539652733 /nfs/dbraw/zinc/65/27/33/539652733.db2.gz NGLNENWUEXKABL-NXEZZACHSA-N 1 0 254.403 2.225 10 0 CEAERO C[C@H](CC[NH3+])[S@@](=O)c1ccccc1Br ZINC000088144697 179556417 /nfs/dbraw/zinc/55/64/17/179556417.db2.gz MRLPRXMICBYTTI-CLAHSXSESA-N 1 0 276.199 2.294 10 0 CEAERO C[NH2+][C@@H]1CCCc2c(O[C@@H](C)C(=O)OC)cccc21 ZINC000088151627 179557806 /nfs/dbraw/zinc/55/78/06/179557806.db2.gz JBYWOTRZYBGGJA-GXFFZTMASA-N 1 0 263.337 2.224 10 0 CEAERO CCCNC(=O)[C@H](C)Oc1cccc2c1CCC[C@@H]2[NH3+] ZINC000088151111 179557838 /nfs/dbraw/zinc/55/78/38/179557838.db2.gz IYFVALWJXLGVMU-FZMZJTMJSA-N 1 0 276.380 2.316 10 0 CEAERO Cc1cc(C(N)=O)ccc1NC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000088276684 179574092 /nfs/dbraw/zinc/57/40/92/179574092.db2.gz KNWIXPVAHHRWIZ-LBPRGKRZSA-N 1 0 291.395 2.044 10 0 CEAERO CC[N@@H+]1CCOC[C@@H](c2ccc3nnccc3c2)C1 ZINC000616661205 348552891 /nfs/dbraw/zinc/55/28/91/348552891.db2.gz LTXFJUYPZNZYOO-AWEZNQCLSA-N 1 0 257.337 2.066 10 0 CEAERO c1nc([C@@H]2COCC[N@@H+](Cc3ccccc3)C2)co1 ZINC000616661540 348552920 /nfs/dbraw/zinc/55/29/20/348552920.db2.gz UKFIGXYVLCJNFS-AWEZNQCLSA-N 1 0 258.321 2.291 10 0 CEAERO c1onnc1[C@H]1CC[N@H+](Cc2ccccc2)CCO1 ZINC000616662941 348553917 /nfs/dbraw/zinc/55/39/17/348553917.db2.gz MJIXLIDEHCUQDM-CQSZACIVSA-N 1 0 259.309 2.033 10 0 CEAERO CC(C)[C@@H]1CC[N@H+](CCNC(=O)OC(C)(C)C)CCO1 ZINC000616665262 348554479 /nfs/dbraw/zinc/55/44/79/348554479.db2.gz DSSGRWZCSSUXFG-ZDUSSCGKSA-N 1 0 286.416 2.258 10 0 CEAERO c1nnoc1[C@H]1CC[N@H+](Cc2ccccc2)CCO1 ZINC000616663954 348554619 /nfs/dbraw/zinc/55/46/19/348554619.db2.gz XECDAQNLWJDALR-CYBMUJFWSA-N 1 0 259.309 2.033 10 0 CEAERO CC[C@H]1CC[N@H+](CCNC(=O)OC(C)(C)C)CCO1 ZINC000616666275 348555172 /nfs/dbraw/zinc/55/51/72/348555172.db2.gz MGHJPYZTVLEESD-LBPRGKRZSA-N 1 0 272.389 2.012 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N(C)[C@@H](C)Cc1ccccc1OC ZINC000088201818 179564989 /nfs/dbraw/zinc/56/49/89/179564989.db2.gz UTTHKJZUNRMVLZ-KGLIPLIRSA-N 1 0 292.423 2.473 10 0 CEAERO CC[C@H]1CCC[C@H](c2noc(CN3CC[NH2+]CC3)n2)C1 ZINC000087970241 179530387 /nfs/dbraw/zinc/53/03/87/179530387.db2.gz DTDZCXVENXSLCX-STQMWFEESA-N 1 0 278.400 2.159 10 0 CEAERO CCOc1ccccc1OCC[NH2+]CCSC ZINC000088401159 179593030 /nfs/dbraw/zinc/59/30/30/179593030.db2.gz ISXMVYFKDYCAEZ-UHFFFAOYSA-N 1 0 255.383 2.417 10 0 CEAERO Cc1nn(C)c(N(C)CCC(F)(F)F)c1C[C@H](C)[NH3+] ZINC000088439337 179602105 /nfs/dbraw/zinc/60/21/05/179602105.db2.gz WRBXVKQFDIVIHB-QMMMGPOBSA-N 1 0 278.322 2.007 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C(=O)N(C)C2CCCCCC2)C1 ZINC000088449999 179605882 /nfs/dbraw/zinc/60/58/82/179605882.db2.gz JMFNOGUIBMZROF-CHWSQXEVSA-N 1 0 252.402 2.413 10 0 CEAERO CC(C)C[C@@H](C[NH3+])CC(=O)NCCOC1CCCCC1 ZINC000088289312 179575544 /nfs/dbraw/zinc/57/55/44/179575544.db2.gz JXPZCHIJTHZAKP-CQSZACIVSA-N 1 0 284.444 2.463 10 0 CEAERO CC(C)C[C@@H](C[NH3+])CC(=O)Nc1ccc(O)c(F)c1 ZINC000088289859 179575766 /nfs/dbraw/zinc/57/57/66/179575766.db2.gz JGMCLYJDSMYJRV-SNVBAGLBSA-N 1 0 268.332 2.481 10 0 CEAERO FC(F)(F)[C@]1(c2nc3cnccc3s2)CC[NH2+]C1 ZINC000088538532 179619458 /nfs/dbraw/zinc/61/94/58/179619458.db2.gz QFRWPRRGGALRDW-SNVBAGLBSA-N 1 0 273.283 2.485 10 0 CEAERO C[NH2+]C1CCC(N2C(=O)c3cc(F)c(F)cc3C2=O)CC1 ZINC000088570545 179627594 /nfs/dbraw/zinc/62/75/94/179627594.db2.gz FQDAQYLRZFRWLZ-UHFFFAOYSA-N 1 0 294.301 2.091 10 0 CEAERO CC(C)C[NH2+]Cc1ccccc1OCc1ncnn1C ZINC000088571779 179628390 /nfs/dbraw/zinc/62/83/90/179628390.db2.gz NQFNMSIWWNYZOD-UHFFFAOYSA-N 1 0 274.368 2.140 10 0 CEAERO C[NH2+]Cc1ccc2c(c1)c(C)c(C)n2Cc1ncnn1C ZINC000088583465 179630120 /nfs/dbraw/zinc/63/01/20/179630120.db2.gz RIPDHKDMDYDCNW-UHFFFAOYSA-N 1 0 283.379 2.154 10 0 CEAERO CCCN(Cc1ncnn1C(C)C)C1(C[NH3+])CCCC1 ZINC000088585989 179631491 /nfs/dbraw/zinc/63/14/91/179631491.db2.gz UDDXIQGDRIRASP-UHFFFAOYSA-N 1 0 279.432 2.343 10 0 CEAERO CC[NH2+][C@@H](Cc1ncnn1CC(C)C)C[C@H]1CCCO1 ZINC000088610585 179637896 /nfs/dbraw/zinc/63/78/96/179637896.db2.gz BAMWBKYLARNNRS-ZIAGYGMSSA-N 1 0 280.416 2.024 10 0 CEAERO CC(C)Cn1ncnc1C[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC000088611062 179638563 /nfs/dbraw/zinc/63/85/63/179638563.db2.gz FPJFLBRBLNNCEB-AWEZNQCLSA-N 1 0 294.349 2.325 10 0 CEAERO CC[NH2+][C@H](Cc1ncnn1CC)Cc1ccccc1C ZINC000088611189 179638573 /nfs/dbraw/zinc/63/85/73/179638573.db2.gz KLTMNCBDNFYYRJ-HNNXBMFYSA-N 1 0 272.396 2.370 10 0 CEAERO CC[C@@H]([NH3+])c1c(C)nn(Cc2ncnn2C(C)C)c1C ZINC000088622003 179641266 /nfs/dbraw/zinc/64/12/66/179641266.db2.gz WEOJRSDONGYEPA-GFCCVEGCSA-N 1 0 276.388 2.130 10 0 CEAERO CC(C)Cn1ncnc1CN1C[C@H](C)[NH2+]CC12CCCC2 ZINC000088625076 179642080 /nfs/dbraw/zinc/64/20/80/179642080.db2.gz RAUMMUBHMAVUJC-AWEZNQCLSA-N 1 0 291.443 2.041 10 0 CEAERO CCCn1ncnc1CN1C[C@H](CC(C)C)[NH2+]CC1(C)C ZINC000088625478 179642596 /nfs/dbraw/zinc/64/25/96/179642596.db2.gz NQKKEFHBLNCRQN-AWEZNQCLSA-N 1 0 293.459 2.287 10 0 CEAERO C[C@@H]([NH2+][C@H]1CC=CCC1)C(=O)N1CCCCCC1 ZINC000088748371 179664065 /nfs/dbraw/zinc/66/40/65/179664065.db2.gz LRJYARJZPPTCAJ-KGLIPLIRSA-N 1 0 250.386 2.476 10 0 CEAERO CC(C)CCN(C)S(=O)(=O)CCCC[NH2+]C(C)C ZINC000088991693 179690354 /nfs/dbraw/zinc/69/03/54/179690354.db2.gz VKVUAJOZQQYYDV-UHFFFAOYSA-N 1 0 278.462 2.072 10 0 CEAERO C[NH2+]CCCCS(=O)(=O)NC(C)(C)CC(C)(C)C ZINC000089010460 179690794 /nfs/dbraw/zinc/69/07/94/179690794.db2.gz BNXJZIVGTPMNEY-UHFFFAOYSA-N 1 0 278.462 2.120 10 0 CEAERO CC(C)C[C@H](C)N(C)S(=O)(=O)CCCC[NH2+]C(C)C ZINC000089004959 179691074 /nfs/dbraw/zinc/69/10/74/179691074.db2.gz IHFLPQHSAULLQV-AWEZNQCLSA-N 1 0 292.489 2.461 10 0 CEAERO C[NH2+]CCCc1nnc(-c2cccc(OC)c2OC)s1 ZINC000088811640 179676268 /nfs/dbraw/zinc/67/62/68/179676268.db2.gz VTOIYMWGBUTAER-UHFFFAOYSA-N 1 0 293.392 2.374 10 0 CEAERO [NH3+][C@@H](CCC(F)(F)F)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000088833040 179679930 /nfs/dbraw/zinc/67/99/30/179679930.db2.gz LRTASBVYRIUPOE-ZETCQYMHSA-N 1 0 259.231 2.199 10 0 CEAERO CC(C)[C@H]1CCCN1c1nc2c(cc1C(N)=[NH2+])CCC2 ZINC000088837150 179681471 /nfs/dbraw/zinc/68/14/71/179681471.db2.gz FFFJXPXSSOFKQT-CQSZACIVSA-N 1 0 272.396 2.479 10 0 CEAERO [NH3+]C[C@H]1Cc2cccc(-c3n[nH]c4ccccc43)c2O1 ZINC000067879895 362930438 /nfs/dbraw/zinc/93/04/38/362930438.db2.gz TUKPIEBQCNLABD-LLVKDONJSA-N 1 0 265.316 2.492 10 0 CEAERO CN(C(=O)c1cccn1C1CC1)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089110663 179705151 /nfs/dbraw/zinc/70/51/51/179705151.db2.gz PNTOIZKTGAGZQE-YPMHNXCESA-N 1 0 261.369 2.022 10 0 CEAERO COc1ccc(NC(=O)N(C)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089111351 179706330 /nfs/dbraw/zinc/70/63/30/179706330.db2.gz YUUNVCOXNFDBFF-BXUZGUMPSA-N 1 0 277.368 2.286 10 0 CEAERO CCN(C(=O)c1ccc(Cl)cn1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089114236 179708045 /nfs/dbraw/zinc/70/80/45/179708045.db2.gz AIPVRDPXBVYJGM-ZWNOBZJWSA-N 1 0 281.787 2.325 10 0 CEAERO CCN(C(=O)NC1CCCCC1)[C@H]1CCC[C@H]1C[NH3+] ZINC000089115007 179709561 /nfs/dbraw/zinc/70/95/61/179709561.db2.gz PFWUYMYYBLQNRK-JSGCOSHPSA-N 1 0 267.417 2.478 10 0 CEAERO CN(C(=O)c1ccc2c(c1)OCO2)[C@H]1CCCC[C@H]1C[NH3+] ZINC000089119912 179711750 /nfs/dbraw/zinc/71/17/50/179711750.db2.gz RWSYJWCRCXJMCQ-STQMWFEESA-N 1 0 290.363 2.005 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1Nc1ccccc1N1CCCC1=O ZINC000089147888 179723984 /nfs/dbraw/zinc/72/39/84/179723984.db2.gz YCPLXIUJPSYXBP-CHWSQXEVSA-N 1 0 273.380 2.353 10 0 CEAERO CCOC(=O)c1ccc(N[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089148065 179724233 /nfs/dbraw/zinc/72/42/33/179724233.db2.gz QDNIWMGUJGIMME-JSGCOSHPSA-N 1 0 262.353 2.403 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1Nc1ccc2c(c1)NC(=O)CS2 ZINC000089149107 179724804 /nfs/dbraw/zinc/72/48/04/179724804.db2.gz BNVXWSMRRCJCHG-KOLCDFICSA-N 1 0 277.393 2.270 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1Nc1ccc2c(c1)CCC(=O)N2 ZINC000089149480 179725365 /nfs/dbraw/zinc/72/53/65/179725365.db2.gz GYKBJHUSEVZTBC-DGCLKSJQSA-N 1 0 259.353 2.111 10 0 CEAERO COCCOc1cccc(N[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000089150023 179725457 /nfs/dbraw/zinc/72/54/57/179725457.db2.gz LQLPLCCAFPJLJV-WFASDCNBSA-N 1 0 264.369 2.251 10 0 CEAERO CCn1nc(C)cc1C[C@@]1([NH3+])COc2ccccc2C1 ZINC000089231069 179758929 /nfs/dbraw/zinc/75/89/29/179758929.db2.gz NMDGCZAAOZNUHZ-MRXNPFEDSA-N 1 0 271.364 2.087 10 0 CEAERO CC[NH2+]C[C@@H]1CCCN(Cc2c(Cl)c(C)nn2C)C1 ZINC000089234470 179759649 /nfs/dbraw/zinc/75/96/49/179759649.db2.gz QFIJNNSQRDZXKN-LBPRGKRZSA-N 1 0 284.835 2.203 10 0 CEAERO COc1cccc(Cl)c1CN[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400712783 233181448 /nfs/dbraw/zinc/18/14/48/233181448.db2.gz DVSANVXTLQVXSD-WDEREUQCSA-N 1 0 268.788 2.436 10 0 CEAERO C[C@H]1C[C@H](O)C[N@H+](CCOc2ccc(Cl)cc2)C1 ZINC000401698149 233184249 /nfs/dbraw/zinc/18/42/49/233184249.db2.gz LIUMYJAIUKEQTF-AAEUAGOBSA-N 1 0 269.772 2.422 10 0 CEAERO CCC[NH2+][C@@H](Cc1cc(C)nn1C)c1ccncc1 ZINC000089193039 179749698 /nfs/dbraw/zinc/74/96/98/179749698.db2.gz AFPSGBCYYHKJFU-HNNXBMFYSA-N 1 0 258.369 2.407 10 0 CEAERO CCn1nc(C)cc1C[C@@H]([NH2+]C)c1cccc(C)n1 ZINC000089194668 179750632 /nfs/dbraw/zinc/75/06/32/179750632.db2.gz AEZXIFCOAZKVID-OAHLLOKOSA-N 1 0 258.369 2.418 10 0 CEAERO CCOc1ccccc1NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089448806 539716237 /nfs/dbraw/zinc/71/62/37/539716237.db2.gz XZQWIRNGGAUGHI-NWDGAFQWSA-N 1 0 262.353 2.399 10 0 CEAERO COCc1ccccc1NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089451760 539717165 /nfs/dbraw/zinc/71/71/65/539717165.db2.gz YZXWTUDQMDMLAZ-YPMHNXCESA-N 1 0 262.353 2.147 10 0 CEAERO CC[C@]1(C)CN(Cc2cc(C)nn2C)[C@H](C2CC2)C[NH2+]1 ZINC000089210518 179754954 /nfs/dbraw/zinc/75/49/54/179754954.db2.gz DLIHKSFUTPBYRA-JKSUJKDBSA-N 1 0 276.428 2.081 10 0 CEAERO CC(=O)c1cccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000089460198 539718127 /nfs/dbraw/zinc/71/81/27/539718127.db2.gz QJLCGHQTZIOLIT-JSGCOSHPSA-N 1 0 260.337 2.203 10 0 CEAERO C[C@H](COCc1ccccc1)N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400321129 233176735 /nfs/dbraw/zinc/17/67/35/233176735.db2.gz BVJDZWLWTFYRHZ-YCPHGPKFSA-N 1 0 262.397 2.322 10 0 CEAERO C[C@H]([NH2+]CC1(C)COC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400418529 233177541 /nfs/dbraw/zinc/17/75/41/233177541.db2.gz VZYWJJAWJDISKX-STQMWFEESA-N 1 0 298.427 2.258 10 0 CEAERO CC1(C)CCCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089482337 539719917 /nfs/dbraw/zinc/71/99/17/539719917.db2.gz ONDANTVYKRWGBS-STQMWFEESA-N 1 0 252.402 2.400 10 0 CEAERO C[C@H](OCc1ccccc1)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000404495833 233192545 /nfs/dbraw/zinc/19/25/45/233192545.db2.gz GDNJLDJUFZGINE-YCPHGPKFSA-N 1 0 290.407 2.035 10 0 CEAERO COc1ccc(CCNC(=O)[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000089385930 179777716 /nfs/dbraw/zinc/77/77/16/179777716.db2.gz UIEPNDFRWOMWRA-HOCLYGCPSA-N 1 0 290.407 2.119 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@@H]1C(=O)NCCc1cccc(F)c1 ZINC000089388135 179777974 /nfs/dbraw/zinc/77/79/74/179777974.db2.gz LGERRFQYFHFUIS-HIFRSBDPSA-N 1 0 278.371 2.250 10 0 CEAERO CCC(CC)N(CCOC)C(=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089391619 179778787 /nfs/dbraw/zinc/77/87/87/179778787.db2.gz JSYRYQHDWAHZHU-UKRRQHHQSA-N 1 0 284.444 2.415 10 0 CEAERO COC(=O)c1cc(C)ccc1NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089451804 179793005 /nfs/dbraw/zinc/79/30/05/179793005.db2.gz VSJPYERWIHIALN-NEPJUHHUSA-N 1 0 290.363 2.095 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1cccc(-c2nnco2)c1 ZINC000089459647 179795346 /nfs/dbraw/zinc/79/53/46/179795346.db2.gz OIUVALLFJKAPOA-YPMHNXCESA-N 1 0 286.335 2.050 10 0 CEAERO Cc1ccccc1NC(=O)COC[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089536518 179813076 /nfs/dbraw/zinc/81/30/76/179813076.db2.gz XZMNLTVWHGEHFW-KGLIPLIRSA-N 1 0 276.380 2.325 10 0 CEAERO CCC[NH2+]C1CCC(O)(c2cc(Cl)cnc2N)CC1 ZINC000089539905 179813897 /nfs/dbraw/zinc/81/38/97/179813897.db2.gz UYERMDNSVRIQPV-UHFFFAOYSA-N 1 0 283.803 2.447 10 0 CEAERO Cc1cc(CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])sc1C ZINC000089482320 179801062 /nfs/dbraw/zinc/80/10/62/179801062.db2.gz BUZKICGGMYWJRR-YPMHNXCESA-N 1 0 266.410 2.356 10 0 CEAERO Cc1cc(C(=O)NC[C@@H]2CCC[C@H]2C[NH3+])c(C)o1 ZINC000089500488 179804903 /nfs/dbraw/zinc/80/49/03/179804903.db2.gz RAOQOUPAGBJPFO-RYUDHWBXSA-N 1 0 250.342 2.001 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1CNC(=O)CC1CCCCC1 ZINC000089500789 179805326 /nfs/dbraw/zinc/80/53/26/179805326.db2.gz DKGAWGRLMWVAHA-UONOGXRCSA-N 1 0 252.402 2.448 10 0 CEAERO COc1ccc(OCC[NH2+]C[C@@H]2CCCC[C@@H]2CO)cc1 ZINC000089529097 179810471 /nfs/dbraw/zinc/81/04/71/179810471.db2.gz XJQDSHOIIZLAIB-LSDHHAIUSA-N 1 0 293.407 2.462 10 0 CEAERO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H](C)C(=O)N1CCOCC1 ZINC000089589983 179825751 /nfs/dbraw/zinc/82/57/51/179825751.db2.gz XOKGGRKGGVKRPK-MELADBBJSA-N 1 0 270.417 2.038 10 0 CEAERO COc1ccc([C@@H]2C[NH2+]C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC000068575210 362944963 /nfs/dbraw/zinc/94/49/63/362944963.db2.gz NTUSMEQMZHLYMM-UONOGXRCSA-N 1 0 292.379 2.275 10 0 CEAERO COc1ccccc1NC(=O)C[NH2+]C[C@](C)(O)CC(C)C ZINC000090272397 179944649 /nfs/dbraw/zinc/94/46/49/179944649.db2.gz AOYSWOLWMRCYPO-MRXNPFEDSA-N 1 0 294.395 2.020 10 0 CEAERO CCCN([C@H](C)Cc1ccccc1OC)C1C[NH2+]C1 ZINC000090292556 179951074 /nfs/dbraw/zinc/95/10/74/179951074.db2.gz IMXLITVHIJLOFM-CYBMUJFWSA-N 1 0 262.397 2.310 10 0 CEAERO CCCN(CCCC(=O)Nc1cccc(C)c1)C1C[NH2+]C1 ZINC000090293782 179951829 /nfs/dbraw/zinc/95/18/29/179951829.db2.gz BKIBACYLMLYHMA-UHFFFAOYSA-N 1 0 289.423 2.398 10 0 CEAERO CCCN(Cc1cncn1CCC)[C@@H]1CCC[NH2+]C1 ZINC000090206579 179932809 /nfs/dbraw/zinc/93/28/09/179932809.db2.gz NQFISAZBQQYVGF-CQSZACIVSA-N 1 0 264.417 2.257 10 0 CEAERO CCCn1cncc1[C@@H](C[NH3+])N(C)c1cccc(OC)c1 ZINC000090206000 179933074 /nfs/dbraw/zinc/93/30/74/179933074.db2.gz NJCVVQCHPRYUDA-OAHLLOKOSA-N 1 0 288.395 2.438 10 0 CEAERO COC(OC)[C@](C)(C[NH3+])N(C)Cc1cccc(Cl)c1 ZINC000090266418 179942212 /nfs/dbraw/zinc/94/22/12/179942212.db2.gz VOMCFGRAOMFMHS-AWEZNQCLSA-N 1 0 286.803 2.108 10 0 CEAERO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1c1cccc(C(F)(F)F)n1 ZINC000090328207 179960199 /nfs/dbraw/zinc/96/01/99/179960199.db2.gz LAEPPPQIUXMXIO-OPRDCNLKSA-N 1 0 271.286 2.145 10 0 CEAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)c1cc(C)cc(C)c1 ZINC000090331078 179962118 /nfs/dbraw/zinc/96/21/18/179962118.db2.gz GNLMDXPWMPWUAG-BZUAXINKSA-N 1 0 272.392 2.373 10 0 CEAERO C[C@H]([NH3+])CSCC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000090343484 179968757 /nfs/dbraw/zinc/96/87/57/179968757.db2.gz NRFVAJPULPUWAH-XQQFMLRXSA-N 1 0 270.442 2.248 10 0 CEAERO C[C@@H]([NH3+])CCSCC(=O)NCc1ccc(Cl)cc1 ZINC000090345882 179969999 /nfs/dbraw/zinc/96/99/99/179969999.db2.gz CWWKGTFJKNYJLX-SNVBAGLBSA-N 1 0 286.828 2.427 10 0 CEAERO C[C@H]([NH3+])CCS[C@@H](C)C(=O)Nc1ccccc1 ZINC000090345935 179970067 /nfs/dbraw/zinc/97/00/67/179970067.db2.gz QVGFSBWALQGRCW-QWRGUYRKSA-N 1 0 252.383 2.484 10 0 CEAERO C[C@H]([NH3+])CCSCC(=O)N[C@@H](C)c1cccs1 ZINC000090346091 179970558 /nfs/dbraw/zinc/97/05/58/179970558.db2.gz IYYXTSKFABNDEI-UWVGGRQHSA-N 1 0 272.439 2.396 10 0 CEAERO C[C@@H](C[NH3+])CSCC(=O)NC1CCC(C)CC1 ZINC000090350110 179972306 /nfs/dbraw/zinc/97/23/06/179972306.db2.gz IILWCTZVLMQPTG-CXQJBGSLSA-N 1 0 258.431 2.009 10 0 CEAERO Cc1ccc(NC(=O)CSC[C@H](C)C[NH3+])cc1F ZINC000090350995 179972668 /nfs/dbraw/zinc/97/26/68/179972668.db2.gz CDTGYRYLPRDUMG-SECBINFHSA-N 1 0 270.373 2.401 10 0 CEAERO COC(=O)c1cc(CS[C@H](C)CC[NH3+])oc1C ZINC000090355035 179973995 /nfs/dbraw/zinc/97/39/95/179973995.db2.gz KXCUEPDZWCWDPO-MRVPVSSYSA-N 1 0 257.355 2.345 10 0 CEAERO CC[C@H]([NH3+])CS[C@H](C)C(=O)Nc1ccccc1 ZINC000090356412 179975011 /nfs/dbraw/zinc/97/50/11/179975011.db2.gz QCOMZVIEJQEFLQ-MNOVXSKESA-N 1 0 252.383 2.484 10 0 CEAERO [NH3+][C@H]1COC[C@H]1c1nc2ccccc2n1-c1ccccc1 ZINC000090363647 179977914 /nfs/dbraw/zinc/97/79/14/179977914.db2.gz YXYPHRVEVHFXSC-KGLIPLIRSA-N 1 0 279.343 2.467 10 0 CEAERO CCC[NH2+]Cc1cn(-c2cccc3cccnc32)nn1 ZINC000090299330 179952865 /nfs/dbraw/zinc/95/28/65/179952865.db2.gz HMILPHCQMWPKRP-UHFFFAOYSA-N 1 0 267.336 2.315 10 0 CEAERO CC[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc(Cl)c(F)c1 ZINC000090489417 179991734 /nfs/dbraw/zinc/99/17/34/179991734.db2.gz AQELUZNHRDADEM-SKDRFNHKSA-N 1 0 286.734 2.042 10 0 CEAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000623765123 350106503 /nfs/dbraw/zinc/10/65/03/350106503.db2.gz OBJKJOQXOZQQFR-JSGCOSHPSA-N 1 0 290.388 2.050 10 0 CEAERO CC(C)(C)c1ccc(C[NH2+][C@H]2CCOC[C@H]2O)cc1 ZINC000623765961 350106662 /nfs/dbraw/zinc/10/66/62/350106662.db2.gz ZUKLCQDCLPBHIT-LSDHHAIUSA-N 1 0 263.381 2.224 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1cccc(CC)c1 ZINC000090539131 180000544 /nfs/dbraw/zinc/00/05/44/180000544.db2.gz QHJWMZCGORQABE-HUUCEWRRSA-N 1 0 276.380 2.202 10 0 CEAERO O=C(CSCC1C[NH2+]C1)Nc1ccc(Cl)cc1 ZINC000090712786 180028560 /nfs/dbraw/zinc/02/85/60/180028560.db2.gz BWRDLXAZDMQQGP-UHFFFAOYSA-N 1 0 270.785 2.231 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1CN(C)c1ccccc1C ZINC000090566714 180006730 /nfs/dbraw/zinc/00/67/30/180006730.db2.gz OJCSTEAHZRNKSK-LSDHHAIUSA-N 1 0 262.397 2.446 10 0 CEAERO CC(C)(C)n1c2ccccc2nc1[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090571672 180007827 /nfs/dbraw/zinc/00/78/27/180007827.db2.gz QDSYTZKJJUIBQN-BBRMVZONSA-N 1 0 273.380 2.407 10 0 CEAERO C[C@@]1(c2nc3ccc(F)cc3n2C2CC2)COC[C@H]1[NH3+] ZINC000090571867 180007913 /nfs/dbraw/zinc/00/79/13/180007913.db2.gz MQFSCXQKVHNZPB-UKRRQHHQSA-N 1 0 275.327 2.126 10 0 CEAERO C[C@]1(C(=O)Nc2ccc3ccccc3c2)COC[C@@H]1[NH3+] ZINC000090585798 180009287 /nfs/dbraw/zinc/00/92/87/180009287.db2.gz FAGHZMHRZGHYHB-HOCLYGCPSA-N 1 0 270.332 2.142 10 0 CEAERO CCC1(CC)CC[NH+]([C@H](CN)CC(OC)OC)CC1 ZINC000090625344 180015505 /nfs/dbraw/zinc/01/55/05/180015505.db2.gz YHEBPRIZRDAROB-ZDUSSCGKSA-N 1 0 272.433 2.225 10 0 CEAERO COC(C[C@@H](C[NH3+])N1CCC2(CCCCC2)CC1)OC ZINC000090625316 180015711 /nfs/dbraw/zinc/01/57/11/180015711.db2.gz CBEFZTUVPGUVBN-AWEZNQCLSA-N 1 0 284.444 2.369 10 0 CEAERO COC(C[C@@H](C[NH3+])N(C)c1cc(C)cc(C)c1)OC ZINC000090625270 180015952 /nfs/dbraw/zinc/01/59/52/180015952.db2.gz FHYZBGNCWZKYFC-AWEZNQCLSA-N 1 0 266.385 2.076 10 0 CEAERO CC[NH2+]Cc1cc(CO[C@@H](C)C(F)(F)F)on1 ZINC000090675456 180022568 /nfs/dbraw/zinc/02/25/68/180022568.db2.gz CWJCBRZIURSAQT-ZETCQYMHSA-N 1 0 252.236 2.252 10 0 CEAERO CC(C)[NH2+]C[C@@H]1CC[C@H](CO[C@@H](C)C(F)(F)F)O1 ZINC000090675578 180022599 /nfs/dbraw/zinc/02/25/99/180022599.db2.gz XAZWTUCKJVLPLI-GARJFASQSA-N 1 0 269.307 2.499 10 0 CEAERO COC(=O)c1cc(NCC[NH+](C(C)C)C(C)C)ccn1 ZINC000090736973 180034369 /nfs/dbraw/zinc/03/43/69/180034369.db2.gz ZKWSMPAHAMKKFI-UHFFFAOYSA-N 1 0 279.384 2.399 10 0 CEAERO CCOc1cc(N(C)c2ccc(C[NH3+])cc2)ncn1 ZINC000090784279 180039595 /nfs/dbraw/zinc/03/95/95/180039595.db2.gz DNWRFRCWCZYYMC-UHFFFAOYSA-N 1 0 258.325 2.102 10 0 CEAERO CCCOc1cc(NC[C@@H]([NH3+])c2ccccc2)ncn1 ZINC000090785168 180039939 /nfs/dbraw/zinc/03/99/39/180039939.db2.gz OZWWJCGKOZGQNY-CYBMUJFWSA-N 1 0 272.352 2.377 10 0 CEAERO CCCOc1cc(N[C@@H]2CCCCC[C@H]2[NH3+])ncn1 ZINC000090785191 180040293 /nfs/dbraw/zinc/04/02/93/180040293.db2.gz PYWJOSXSQUYXQD-VXGBXAGGSA-N 1 0 264.373 2.337 10 0 CEAERO COc1cc(N[C@]2(C[NH3+])CCC[C@H](C)C2)nc(C)n1 ZINC000090787497 180040837 /nfs/dbraw/zinc/04/08/37/180040837.db2.gz XFVKRNXJGPFCDE-IINYFYTJSA-N 1 0 264.373 2.113 10 0 CEAERO CCOc1cc(N[C@@H](C[NH3+])Cc2ccccc2)nc(C)n1 ZINC000090788391 180041233 /nfs/dbraw/zinc/04/12/33/180041233.db2.gz UUDPUZKJKMDGMJ-CQSZACIVSA-N 1 0 286.379 2.166 10 0 CEAERO CCOc1cc(NC2(C[NH3+])CCCCC2)nc(C)n1 ZINC000090788399 180041245 /nfs/dbraw/zinc/04/12/45/180041245.db2.gz LBIOEIJNQUDATN-UHFFFAOYSA-N 1 0 264.373 2.257 10 0 CEAERO CCOc1ncnc(N(CC)[C@H]2CCC[C@@H]2C[NH3+])c1C ZINC000090789718 180041767 /nfs/dbraw/zinc/04/17/67/180041767.db2.gz DQDOOJNSBZMSKU-OLZOCXBDSA-N 1 0 278.400 2.137 10 0 CEAERO Cc1nnc(Sc2ccc(C[C@H](C)[NH3+])cc2C)n1C ZINC000104445802 186005488 /nfs/dbraw/zinc/00/54/88/186005488.db2.gz ADBQLLCPMBFOAM-JTQLQIEISA-N 1 0 276.409 2.473 10 0 CEAERO C[NH2+][C@@H]1C[C@@H](Oc2c(C)nn(C)c2C)C12CCCC2 ZINC000090865735 180048187 /nfs/dbraw/zinc/04/81/87/180048187.db2.gz XLMHBXZOWVCKOK-CHWSQXEVSA-N 1 0 263.385 2.336 10 0 CEAERO C[NH2+]Cc1cccc(SCC(=O)N(C)C(C)C)c1 ZINC000090870780 180049477 /nfs/dbraw/zinc/04/94/77/180049477.db2.gz QDZOBMAKCSWKHP-UHFFFAOYSA-N 1 0 266.410 2.365 10 0 CEAERO CCNC(=O)CCSc1cccc(C[NH2+]C)c1 ZINC000090870732 180049511 /nfs/dbraw/zinc/04/95/11/180049511.db2.gz HAAAFUPZSBYCIE-UHFFFAOYSA-N 1 0 252.383 2.024 10 0 CEAERO CCN(C[C@@H]1Cc2ccccc2O1)[C@@](C)(CC)C[NH3+] ZINC000090874045 180049849 /nfs/dbraw/zinc/04/98/49/180049849.db2.gz IHGLCDUVLGTFQF-HOCLYGCPSA-N 1 0 262.397 2.439 10 0 CEAERO O=C1OCC[C@@H]1Sc1cccc(C[NH2+]C2CC2)c1 ZINC000090872276 180050059 /nfs/dbraw/zinc/05/00/59/180050059.db2.gz NXLZYBZTRLKJKI-ZDUSSCGKSA-N 1 0 263.362 2.346 10 0 CEAERO CCN(CC)C[C@@H](C)[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000090874520 180050751 /nfs/dbraw/zinc/05/07/51/180050751.db2.gz ZPJWRSZQCBPKCY-UKRRQHHQSA-N 1 0 262.397 2.310 10 0 CEAERO OCC1([NH2+]C[C@H]2Cc3ccccc3O2)CCCCC1 ZINC000090874566 180050939 /nfs/dbraw/zinc/05/09/39/180050939.db2.gz OIZRADABHMXMRF-CQSZACIVSA-N 1 0 261.365 2.275 10 0 CEAERO CCCN(C[C@@H]1Cc2ccccc2O1)[C@@H]1CCC[NH2+]C1 ZINC000090876258 180050988 /nfs/dbraw/zinc/05/09/88/180050988.db2.gz OKVYRQGZUKYGQE-CVEARBPZSA-N 1 0 274.408 2.454 10 0 CEAERO CC1(C)C[NH2+][C@@H](C2CC2)CN1C[C@@H]1Cc2ccccc2O1 ZINC000090878321 180051775 /nfs/dbraw/zinc/05/17/75/180051775.db2.gz JZTZIUJQSSDDOW-JKSUJKDBSA-N 1 0 286.419 2.453 10 0 CEAERO Cc1nn(C[C@H]2Cc3ccccc3O2)c(C)c1C[C@H](C)[NH3+] ZINC000090877421 180052240 /nfs/dbraw/zinc/05/22/40/180052240.db2.gz MVFHUFFFIPJBTL-XHDPSFHLSA-N 1 0 285.391 2.393 10 0 CEAERO Fc1ccc2c(c1)C[C@@H](C[NH2+]C[C@@H]1CCCCO1)O2 ZINC000090892528 180053712 /nfs/dbraw/zinc/05/37/12/180053712.db2.gz DSKKBBHISWLAGX-KBPBESRZSA-N 1 0 265.328 2.288 10 0 CEAERO CCC[NH2+]CCN(C)C[C@H]1Cc2cc(F)ccc2O1 ZINC000090893532 180055208 /nfs/dbraw/zinc/05/52/08/180055208.db2.gz MUOYPMYURFEWOI-CQSZACIVSA-N 1 0 266.360 2.061 10 0 CEAERO [NH3+]CC1(C[C@H]2Cc3cc(F)ccc3O2)CCOCC1 ZINC000090895195 180056283 /nfs/dbraw/zinc/05/62/83/180056283.db2.gz WXGLZWCCVNYXHN-CYBMUJFWSA-N 1 0 265.328 2.275 10 0 CEAERO COCC[NH2+]C[C@H](C)C[C@H]1Cc2cc(F)ccc2O1 ZINC000090895130 180056390 /nfs/dbraw/zinc/05/63/90/180056390.db2.gz GTJBPMJCOWTTJT-RISCZKNCSA-N 1 0 267.344 2.391 10 0 CEAERO CCOC(=O)CCC[NH2+]C[C@H]1Cc2cc(C)ccc2O1 ZINC000090898157 180057387 /nfs/dbraw/zinc/05/73/87/180057387.db2.gz YKROBNYXCDDYIO-CQSZACIVSA-N 1 0 277.364 2.231 10 0 CEAERO CCC(O)(CC)C[NH2+]C[C@H]1Cc2cc(C)ccc2O1 ZINC000090898221 180058153 /nfs/dbraw/zinc/05/81/53/180058153.db2.gz BXFOJPUBWVVLCW-CQSZACIVSA-N 1 0 263.381 2.439 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](Cn1ccnc1C[NH2+]C1CC1)O2 ZINC000090900422 180058735 /nfs/dbraw/zinc/05/87/35/180058735.db2.gz CRSQSTHJPRMIJN-HNNXBMFYSA-N 1 0 283.375 2.447 10 0 CEAERO Clc1ccc2c(c1)C[C@H](C[NH2+]C1CCOCC1)O2 ZINC000090903651 180059931 /nfs/dbraw/zinc/05/99/31/180059931.db2.gz ARGMKAZVZWGDEW-CYBMUJFWSA-N 1 0 267.756 2.412 10 0 CEAERO CCC[C@@H]1CN(C[C@@H]2Cc3cc(C)ccc3O2)CC[NH2+]1 ZINC000090902421 180060326 /nfs/dbraw/zinc/06/03/26/180060326.db2.gz ZMRBEOXUNKLDQH-CVEARBPZSA-N 1 0 274.408 2.372 10 0 CEAERO CCc1ccc([C@H](CN2C[C@H]3CC[C@@H](C2)O3)[NH2+]C)cc1 ZINC000090906064 180061171 /nfs/dbraw/zinc/06/11/71/180061171.db2.gz QVWHHEFCYFMAHR-BBWFWOEESA-N 1 0 274.408 2.373 10 0 CEAERO C[NH2+][C@@H](CN1C[C@H]2CC[C@@H](C1)O2)c1cc(C)ccc1C ZINC000090906046 180061265 /nfs/dbraw/zinc/06/12/65/180061265.db2.gz CTOOWTUZXVVHBU-UXLLHSPISA-N 1 0 274.408 2.427 10 0 CEAERO CC(C)C[NH2+]C[C@@H](C(C)C)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090907785 180062058 /nfs/dbraw/zinc/06/20/58/180062058.db2.gz UBCRWSZXQVFANO-ZNMIVQPWSA-N 1 0 254.418 2.120 10 0 CEAERO C[C@H](NC(=O)c1csc(CC[NH3+])n1)c1ccc(F)cc1 ZINC000090951872 180072589 /nfs/dbraw/zinc/07/25/89/180072589.db2.gz GXAMSXNZYMGLAF-VIFPVBQESA-N 1 0 293.367 2.274 10 0 CEAERO COc1cccc(N(C)Cc2csc(CC[NH3+])n2)c1 ZINC000090958454 180074788 /nfs/dbraw/zinc/07/47/88/180074788.db2.gz DIDRCPFVVHAPQA-UHFFFAOYSA-N 1 0 277.393 2.289 10 0 CEAERO CC[C@@H]1CC[C@H](NC(=O)c2csc(CC[NH3+])n2)[C@@H]1C ZINC000090957484 180075139 /nfs/dbraw/zinc/07/51/39/180075139.db2.gz MKRXETOIZKXUJN-MXWKQRLJSA-N 1 0 281.425 2.199 10 0 CEAERO Nc1ccsc1C[NH2+]CCCOC[C@@H]1CCCO1 ZINC000090959205 180075281 /nfs/dbraw/zinc/07/52/81/180075281.db2.gz JNPNPRDLHWFKEF-NSHDSACASA-N 1 0 270.398 2.006 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+]CCCc1c[nH]nc1C ZINC000090960553 180075429 /nfs/dbraw/zinc/07/54/29/180075429.db2.gz ROTNCBZBCBIOAJ-UHFFFAOYSA-N 1 0 292.408 2.460 10 0 CEAERO CC1CCN(CC[NH2+]Cc2sccc2N)CC1 ZINC000090960407 180075558 /nfs/dbraw/zinc/07/55/58/180075558.db2.gz YAVGVCOTHNNVFQ-UHFFFAOYSA-N 1 0 253.415 2.152 10 0 CEAERO CC(C)C(=O)N1CCC([NH2+]Cc2ccccc2N)CC1 ZINC000090962055 180076300 /nfs/dbraw/zinc/07/63/00/180076300.db2.gz AREVCKPDSYQYGD-UHFFFAOYSA-N 1 0 275.396 2.005 10 0 CEAERO NC(=O)c1ccc(F)c(C[NH2+]C[C@@H]2Cc3ccccc32)c1 ZINC000090992881 180082068 /nfs/dbraw/zinc/08/20/68/180082068.db2.gz JNXPNDGVLYUROG-ZDUSSCGKSA-N 1 0 284.334 2.354 10 0 CEAERO C[NH2+]Cc1cn(CCCC(=O)N(C)C)c2ccccc12 ZINC000090995370 180082843 /nfs/dbraw/zinc/08/28/43/180082843.db2.gz ARXQMAIREJDGRC-UHFFFAOYSA-N 1 0 273.380 2.229 10 0 CEAERO CC(C)(C)[NH2+]Cc1cn(CC(N)=O)c2ccccc12 ZINC000090995593 180082877 /nfs/dbraw/zinc/08/28/77/180082877.db2.gz HNNWNUKHKZDZDV-UHFFFAOYSA-N 1 0 259.353 2.015 10 0 CEAERO C[NH2+]Cc1cn(Cc2nnc(C)o2)c2ccccc12 ZINC000090995295 180082904 /nfs/dbraw/zinc/08/29/04/180082904.db2.gz IHPWJQCIXUAOCK-UHFFFAOYSA-N 1 0 256.309 2.100 10 0 CEAERO CCN(CC)C(=O)Cn1ccc(C[NH2+]CC(C)C)c1 ZINC000091004456 180083754 /nfs/dbraw/zinc/08/37/54/180083754.db2.gz FKFCCILEWJNHDH-UHFFFAOYSA-N 1 0 265.401 2.102 10 0 CEAERO CC(C)[N@@H+]1CCO[C@H](Cn2cc(CO)c3ccccc32)C1 ZINC000091006558 180084763 /nfs/dbraw/zinc/08/47/63/180084763.db2.gz FOQMFYDPUXFMSQ-HNNXBMFYSA-N 1 0 288.391 2.243 10 0 CEAERO C[C@H]([NH3+])Cc1cccn1CCCOCC(F)(F)F ZINC000091005411 180084796 /nfs/dbraw/zinc/08/47/96/180084796.db2.gz CDQAEMRXRLKOQF-JTQLQIEISA-N 1 0 264.291 2.347 10 0 CEAERO CCCn1ccc(C[NH2+][C@@H](CC(C)C)C(=O)N(C)C)c1 ZINC000091010319 180086325 /nfs/dbraw/zinc/08/63/25/180086325.db2.gz VJDBGBOROGCELT-HNNXBMFYSA-N 1 0 279.428 2.491 10 0 CEAERO Cc1c([C@H](C)[NH2+]Cc2c[nH]c3ncccc23)cnn1C ZINC000091016941 180086776 /nfs/dbraw/zinc/08/67/76/180086776.db2.gz DBUHUTRSFOGTMJ-JTQLQIEISA-N 1 0 269.352 2.456 10 0 CEAERO CC(C)c1noc(Cn2cc(C[NH3+])c3cccnc32)n1 ZINC000091019088 180087168 /nfs/dbraw/zinc/08/71/68/180087168.db2.gz MQABGXSTBNHSHK-UHFFFAOYSA-N 1 0 271.324 2.050 10 0 CEAERO C[NH2+]C[C@@H]1CCCCN1Cc1c[nH]c2ncccc12 ZINC000091019544 180087741 /nfs/dbraw/zinc/08/77/41/180087741.db2.gz LYWOPZFHDSNZIR-ZDUSSCGKSA-N 1 0 258.369 2.137 10 0 CEAERO C[NH2+]Cc1cn(CCCn2ccnc2)c2ncccc12 ZINC000091019286 180087796 /nfs/dbraw/zinc/08/77/96/180087796.db2.gz AWZXWOCMNPZZBE-UHFFFAOYSA-N 1 0 269.352 2.043 10 0 CEAERO CC[NH2+]Cc1cn(CCn2ccnc2C)c2ncccc12 ZINC000091020110 180088131 /nfs/dbraw/zinc/08/81/31/180088131.db2.gz HVNJDKRTTSFTRQ-UHFFFAOYSA-N 1 0 283.379 2.351 10 0 CEAERO CC(C)(C)[NH2+]Cc1cn(CCCO)c2ncccc12 ZINC000091021052 180088904 /nfs/dbraw/zinc/08/89/04/180088904.db2.gz OXYHEZIIGLBIKV-UHFFFAOYSA-N 1 0 261.369 2.307 10 0 CEAERO Cc1ccc(NC(=O)c2csc(CC[NH3+])n2)c(F)c1 ZINC000090946468 180070154 /nfs/dbraw/zinc/07/01/54/180070154.db2.gz NMZKGOJZNWDYNZ-UHFFFAOYSA-N 1 0 279.340 2.344 10 0 CEAERO c1ccc2c(c1)C[C@H]2c1noc(C[C@@H]2CSCC[NH2+]2)n1 ZINC000091129160 180100893 /nfs/dbraw/zinc/10/08/93/180100893.db2.gz LKGQHZNBSKPSMO-DGCLKSJQSA-N 1 0 287.388 2.005 10 0 CEAERO c1nnc(C[C@H]2CSCC[NH2+]2)n1C1CCCCC1 ZINC000091129588 180101287 /nfs/dbraw/zinc/10/12/87/180101287.db2.gz ZHDVKSNZYJCVFY-NSHDSACASA-N 1 0 266.414 2.031 10 0 CEAERO C[C@H](NC(=O)C[C@@H]1CSCC[NH2+]1)c1cccc(F)c1 ZINC000091138101 180105435 /nfs/dbraw/zinc/10/54/35/180105435.db2.gz ZXTNPSVTVDGOSY-GXFFZTMASA-N 1 0 282.384 2.098 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@@]2(C1)SCC[C@@H]2C[NH3+] ZINC000091303532 180130376 /nfs/dbraw/zinc/13/03/76/180130376.db2.gz HDYLKQBEKCDYQJ-MFKMUULPSA-N 1 0 272.414 2.078 10 0 CEAERO CCCNC(=O)C[C@H](CN)[NH+]1CCC(CC)(CC)CC1 ZINC000091317562 180133670 /nfs/dbraw/zinc/13/36/70/180133670.db2.gz WHCLOAAAJDFRQA-CQSZACIVSA-N 1 0 283.460 2.132 10 0 CEAERO CCN(CC)C(=O)C[C@H](C[NH3+])N1CCC2(CCCC2)CC1 ZINC000091322911 180134681 /nfs/dbraw/zinc/13/46/81/180134681.db2.gz KKFVMJMMHPOAII-OAHLLOKOSA-N 1 0 295.471 2.228 10 0 CEAERO CCN(CC)C(=O)C[C@H](C[NH3+])Nc1ccc(Cl)cc1 ZINC000091323014 180134741 /nfs/dbraw/zinc/13/47/41/180134741.db2.gz WDSDWCYOLMQMOU-CYBMUJFWSA-N 1 0 283.803 2.338 10 0 CEAERO Cc1ccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3[NH2+]2)n1C ZINC000091359760 180140402 /nfs/dbraw/zinc/14/04/02/180140402.db2.gz ZBUDEMNZKQEGQV-KBMXLJTQSA-N 1 0 289.423 2.261 10 0 CEAERO Cc1nc(CNC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3[NH2+]2)cs1 ZINC000091360588 180141012 /nfs/dbraw/zinc/14/10/12/180141012.db2.gz DXKNZYSQYXVMKM-XBFCOCLRSA-N 1 0 293.436 2.379 10 0 CEAERO O=C(NCCc1cscn1)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091361366 180141524 /nfs/dbraw/zinc/14/15/24/180141524.db2.gz USTUGLAHRUMCIL-UBHSHLNASA-N 1 0 293.436 2.113 10 0 CEAERO C[C@H]1CN(C(=O)NCC[N@H+](C)C2CCCC2)CCS1 ZINC000104806059 186025003 /nfs/dbraw/zinc/02/50/03/186025003.db2.gz AJNZLEPVUARPPS-LBPRGKRZSA-N 1 0 285.457 2.008 10 0 CEAERO CC(C)n1cncc1[C@@H](O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000091273574 180117861 /nfs/dbraw/zinc/11/78/61/180117861.db2.gz XLGPPWHVCDGASN-HZPDHXFCSA-N 1 0 271.364 2.384 10 0 CEAERO COc1ccccc1N(C)[C@@H](C[NH3+])c1cncn1C1CC1 ZINC000091276471 180119560 /nfs/dbraw/zinc/11/95/60/180119560.db2.gz HZOPYPUMHZDPKI-AWEZNQCLSA-N 1 0 286.379 2.363 10 0 CEAERO C[NH2+]CC[C@@H]1CCCCN1Cc1cncn1C1CC1 ZINC000091277085 180119888 /nfs/dbraw/zinc/11/98/88/180119888.db2.gz VPVDSUPBJGOYSR-ZDUSSCGKSA-N 1 0 262.401 2.182 10 0 CEAERO COc1ccccc1N(C)[C@H](C[NH3+])c1cncn1C1CC1 ZINC000091276472 180120233 /nfs/dbraw/zinc/12/02/33/180120233.db2.gz HZOPYPUMHZDPKI-CQSZACIVSA-N 1 0 286.379 2.363 10 0 CEAERO CC[C@@H]1CC[C@H](NC(=O)C[C@@H]2CSCC[NH2+]2)[C@@H]1C ZINC000091291704 180122966 /nfs/dbraw/zinc/12/29/66/180122966.db2.gz VGKJEJAKUARDPD-LPWJVIDDSA-N 1 0 270.442 2.022 10 0 CEAERO COc1ccccc1N(C)CC[C@H]1CSCC[NH2+]1 ZINC000091292214 180123621 /nfs/dbraw/zinc/12/36/21/180123621.db2.gz DEGSPHNQWRETRO-LBPRGKRZSA-N 1 0 266.410 2.227 10 0 CEAERO CCn1c(C[C@H]2C[NH2+]CCO2)nc2cc(Cl)ccc21 ZINC000091293224 180124106 /nfs/dbraw/zinc/12/41/06/180124106.db2.gz VILSALPEYGCDIG-NSHDSACASA-N 1 0 279.771 2.241 10 0 CEAERO CCNc1ccc(C(=O)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091430421 180153077 /nfs/dbraw/zinc/15/30/77/180153077.db2.gz RSSUUALAVCZABI-HNNXBMFYSA-N 1 0 275.396 2.285 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1cccs1)N(C)CC1CC(O)C1 ZINC000091451650 180158609 /nfs/dbraw/zinc/15/86/09/180158609.db2.gz NCBDVLFNZWZHNK-YZVRNYIASA-N 1 0 268.426 2.229 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccc(Cl)cc1)N(C)CC1CC(O)C1 ZINC000091461019 180161894 /nfs/dbraw/zinc/16/18/94/180161894.db2.gz JDPKNEFDXHGJDJ-ZGBLGHFFSA-N 1 0 282.815 2.431 10 0 CEAERO C[N@H+](CCCC(=O)c1ccc(F)cc1)CC1CC(O)C1 ZINC000091463514 180162361 /nfs/dbraw/zinc/16/23/61/180162361.db2.gz YLJVHJIGUBBRQS-UHFFFAOYSA-N 1 0 279.355 2.491 10 0 CEAERO C[C@H]([NH3+])[C@H](c1ccccc1Cl)N(C)CC1CC(O)C1 ZINC000091464574 180162949 /nfs/dbraw/zinc/16/29/49/180162949.db2.gz KFZWZIUNRVGFSR-ZIULKBFBSA-N 1 0 282.815 2.431 10 0 CEAERO C[NH2+]CC[C@](C)(O)Cc1cc(Cl)ccc1OC ZINC000091465702 180163806 /nfs/dbraw/zinc/16/38/06/180163806.db2.gz PRBYMBKTCCRAHU-ZDUSSCGKSA-N 1 0 257.761 2.252 10 0 CEAERO COCC[NH2+]C[C@@H](O)Cc1cc(Cl)ccc1Cl ZINC000091467883 180164509 /nfs/dbraw/zinc/16/45/09/180164509.db2.gz CARIWXALULUWOR-NSHDSACASA-N 1 0 278.179 2.133 10 0 CEAERO CN(CC1CC([NH3+])C1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000091473395 180165192 /nfs/dbraw/zinc/16/51/92/180165192.db2.gz FMPWQSIGZVWTDZ-UHFFFAOYSA-N 1 0 291.439 2.334 10 0 CEAERO CCCCOCC[NH+]1CCC(SC)(C(N)=S)CC1 ZINC000091478143 180165853 /nfs/dbraw/zinc/16/58/53/180165853.db2.gz CWGYIVFWGSLOJC-UHFFFAOYSA-N 1 0 290.498 2.287 10 0 CEAERO Cc1nnc(N(C)CC2CC([NH3+])C2)c2ccccc12 ZINC000091475785 180166075 /nfs/dbraw/zinc/16/60/75/180166075.db2.gz MQPDUFOSCARCKM-UHFFFAOYSA-N 1 0 256.353 2.112 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)Nc1ccc(F)cc1 ZINC000091496762 180172379 /nfs/dbraw/zinc/17/23/79/180172379.db2.gz JPHGTWWFOPSAMR-SKDRFNHKSA-N 1 0 251.305 2.088 10 0 CEAERO Cc1ncccc1NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000091497079 180172755 /nfs/dbraw/zinc/17/27/55/180172755.db2.gz TXWSDVLLSWLNGP-ZDUSSCGKSA-N 1 0 255.321 2.419 10 0 CEAERO CC(C)Oc1cccc(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000091496660 180172776 /nfs/dbraw/zinc/17/27/76/180172776.db2.gz SVADPZMFWOQHJA-IUODEOHRSA-N 1 0 276.380 2.344 10 0 CEAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000091376731 180143739 /nfs/dbraw/zinc/14/37/39/180143739.db2.gz NJRIAYBEDZAZKN-ZKYQVNSYSA-N 1 0 282.409 2.173 10 0 CEAERO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(N)c(Cl)c2)C1 ZINC000091392638 180145065 /nfs/dbraw/zinc/14/50/65/180145065.db2.gz INRZMYZYDDQPHK-NSHDSACASA-N 1 0 281.787 2.088 10 0 CEAERO CC[C@@H](NC(=O)C1C[NH2+]C1)c1cccc(Cl)c1 ZINC000091406648 180147714 /nfs/dbraw/zinc/14/77/14/180147714.db2.gz KVQNEKNVUMZTST-GFCCVEGCSA-N 1 0 252.745 2.127 10 0 CEAERO CCN(c1cncc(C[NH2+]CC(C)C)n1)[C@H](C)COC ZINC000091419850 180150570 /nfs/dbraw/zinc/15/05/70/180150570.db2.gz HFDXDZCQXAEHCZ-CYBMUJFWSA-N 1 0 280.416 2.083 10 0 CEAERO CC[C@H](C)CN(C)c1cncc(C[NH2+]C(C)C)n1 ZINC000091419199 180150910 /nfs/dbraw/zinc/15/09/10/180150910.db2.gz SSJHFCIBCLFFBQ-LBPRGKRZSA-N 1 0 250.390 2.457 10 0 CEAERO COc1cccc(C2CC([NH2+]CC3CC(O)C3)C2)c1 ZINC000091423461 180151292 /nfs/dbraw/zinc/15/12/92/180151292.db2.gz QXIMXPJSLYUPEJ-UHFFFAOYSA-N 1 0 261.365 2.302 10 0 CEAERO CCC[NH2+]Cc1cncc(-n2nc(C)c(C)c2C)n1 ZINC000091422439 180151312 /nfs/dbraw/zinc/15/13/12/180151312.db2.gz QAJCJWIAQXXYCD-UHFFFAOYSA-N 1 0 259.357 2.087 10 0 CEAERO CCn1nc(C)c(N)c1N[C@H](CC(C)C)C[NH+](C)C ZINC000091559119 180191296 /nfs/dbraw/zinc/19/12/96/180191296.db2.gz GTUXKKJIBMWFRJ-GFCCVEGCSA-N 1 0 267.421 2.182 10 0 CEAERO CCC[NH2+][C@H](c1cnn(C)c1)C(C)(C)N1CCCC1 ZINC000091563589 180192843 /nfs/dbraw/zinc/19/28/43/180192843.db2.gz BFOGSLKDHWNSFB-CQSZACIVSA-N 1 0 264.417 2.335 10 0 CEAERO C[NH2+][C@@H](c1cccnc1N)C(C)(C)N1CCCCC1 ZINC000091565009 180193172 /nfs/dbraw/zinc/19/31/72/180193172.db2.gz UVTXWOSDIBJBIV-ZDUSSCGKSA-N 1 0 262.401 2.189 10 0 CEAERO Cc1ccc([C@H]([NH3+])C(C)(C)N2CCOCC2)c(C)c1 ZINC000091566062 180194074 /nfs/dbraw/zinc/19/40/74/180194074.db2.gz QKKZUABTZYTIBE-HNNXBMFYSA-N 1 0 262.397 2.414 10 0 CEAERO CCc1ccc([C@@H]([NH3+])C(C)(C)N2CCOCC2)cc1 ZINC000091566338 180194225 /nfs/dbraw/zinc/19/42/25/180194225.db2.gz PRCJRYPCEQENRV-OAHLLOKOSA-N 1 0 262.397 2.360 10 0 CEAERO Cn1nccc1[C@H](O)C(C)(C)[NH+]1CCCCCC1 ZINC000091567739 180194639 /nfs/dbraw/zinc/19/46/39/180194639.db2.gz XJYFESHGXQPJMV-ZDUSSCGKSA-N 1 0 251.374 2.108 10 0 CEAERO CC(C)([C@H](O)Cc1cccnc1N)[NH+]1CCCCCC1 ZINC000091567662 180194643 /nfs/dbraw/zinc/19/46/43/180194643.db2.gz ZFVZONHZHDRAJS-CQSZACIVSA-N 1 0 277.412 2.222 10 0 CEAERO CC(C)([C@@H](O)C1CCOCC1)[NH+]1CCCCCC1 ZINC000091567422 180194887 /nfs/dbraw/zinc/19/48/87/180194887.db2.gz XKOCRYLWMJDGBB-AWEZNQCLSA-N 1 0 255.402 2.429 10 0 CEAERO CC[NH2+][C@H](c1ccc(OC)cc1)C(C)(C)N1CCOCC1 ZINC000091566775 180194906 /nfs/dbraw/zinc/19/49/06/180194906.db2.gz BYJRRNYYLKCBDM-MRXNPFEDSA-N 1 0 292.423 2.457 10 0 CEAERO CC(C)(C(=O)Cc1ccnc(N)c1)[NH+]1CCCCCC1 ZINC000091567271 180195104 /nfs/dbraw/zinc/19/51/04/180195104.db2.gz DHUBPKWJEZAXNF-UHFFFAOYSA-N 1 0 275.396 2.430 10 0 CEAERO CC[C@@](C)([C@@H](N)c1cc(OC)ccc1OC)[NH+](C)C ZINC000091570146 180195288 /nfs/dbraw/zinc/19/52/88/180195288.db2.gz OVVOSJKSQAUCKS-GJZGRUSLSA-N 1 0 266.385 2.434 10 0 CEAERO CC[NH2+][C@H](Cc1cnn(CC)c1)[C@](C)(CC)N(C)C ZINC000091571192 180195449 /nfs/dbraw/zinc/19/54/49/180195449.db2.gz CICUMPHFJDBARQ-CABCVRRESA-N 1 0 266.433 2.154 10 0 CEAERO CC[C@](C)([C@H](O)c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000091569105 180195498 /nfs/dbraw/zinc/19/54/98/180195498.db2.gz VSQODHOZGAGMDN-HUUCEWRRSA-N 1 0 267.369 2.468 10 0 CEAERO CC[NH2+][C@H](c1cc(C)cnc1N)[C@@](C)(CC)N(C)C ZINC000091571109 180195520 /nfs/dbraw/zinc/19/55/20/180195520.db2.gz WMZFVRFOGYWGBN-UKRRQHHQSA-N 1 0 264.417 2.353 10 0 CEAERO CC[C@@](C)([C@@H](Cc1ccn(C(C)C)n1)[NH2+]C)N(C)C ZINC000091570792 180195673 /nfs/dbraw/zinc/19/56/73/180195673.db2.gz CEUVTGNZCHGPPS-CABCVRRESA-N 1 0 266.433 2.325 10 0 CEAERO CC[C@@](C)([C@H](N)c1ccc(OC)cc1OC)[NH+](C)C ZINC000091569660 180195692 /nfs/dbraw/zinc/19/56/92/180195692.db2.gz VNEJJBTVLCGLAT-CABCVRRESA-N 1 0 266.385 2.434 10 0 CEAERO CC[NH2+][C@@H](c1c(C)ccnc1N)[C@@](C)(CC)N(C)C ZINC000091571095 180195852 /nfs/dbraw/zinc/19/58/52/180195852.db2.gz INWUPTOFEOWHRN-DZGCQCFKSA-N 1 0 264.417 2.353 10 0 CEAERO CC[C@](C)([C@@H](N)Cc1ccccc1OC)[NH+](C)C ZINC000091570159 180195876 /nfs/dbraw/zinc/19/58/76/180195876.db2.gz WVZPSLWVKUZKGZ-LSDHHAIUSA-N 1 0 250.386 2.295 10 0 CEAERO CC[C@](C)([C@H](O)c1ccc2c(c1)OCCO2)[NH+](C)C ZINC000091569301 180195933 /nfs/dbraw/zinc/19/59/33/180195933.db2.gz VDJALYDEQMICQV-HUUCEWRRSA-N 1 0 265.353 2.222 10 0 CEAERO CCn1ccnc1[C@@H](O)[C@](C)(CC)[NH+](CC)CC ZINC000091572860 180196104 /nfs/dbraw/zinc/19/61/04/180196104.db2.gz QLEXTXNCLQRNPU-OCCSQVGLSA-N 1 0 253.390 2.447 10 0 CEAERO CCC[NH2+][C@H](c1ccnn1C)[C@@](C)(CC)N(C)C ZINC000091572025 180196141 /nfs/dbraw/zinc/19/61/41/180196141.db2.gz KLWUJKJICBRNGH-ZIAGYGMSSA-N 1 0 252.406 2.191 10 0 CEAERO CCN(CC)[C@](C)(CC)[C@@H](Cc1cccnc1N)[NH2+]C ZINC000091599398 180202237 /nfs/dbraw/zinc/20/22/37/180202237.db2.gz RWVIBLQHTXVEDF-GDBMZVCRSA-N 1 0 278.444 2.305 10 0 CEAERO CCN(CC)[C@@](C)(CC)[C@H](Cc1cnn(C)c1)[NH2+]C ZINC000091599267 180202452 /nfs/dbraw/zinc/20/24/52/180202452.db2.gz XOXSBMUTCIEJAM-GJZGRUSLSA-N 1 0 266.433 2.061 10 0 CEAERO CCN(CC)[C@](C)(CC)[C@H](Cc1cccnc1N)[NH2+]C ZINC000091599402 180202476 /nfs/dbraw/zinc/20/24/76/180202476.db2.gz RWVIBLQHTXVEDF-GOEBONIOSA-N 1 0 278.444 2.305 10 0 CEAERO CC[NH2+][C@H](Cc1cnn(C)c1)[C@@](C)(CC)N(CC)CC ZINC000091600391 180202610 /nfs/dbraw/zinc/20/26/10/180202610.db2.gz BONVNAJPKMRFII-HZPDHXFCSA-N 1 0 280.460 2.451 10 0 CEAERO CCCn1ncnc1C[C@@H]([NH2+]C)[C@@](C)(CC)N(CC)CC ZINC000091599955 180202742 /nfs/dbraw/zinc/20/27/42/180202742.db2.gz NGTIPTFPTBYFRT-GDBMZVCRSA-N 1 0 295.475 2.329 10 0 CEAERO CCn1nccc1[C@H](O)[C@](C)(CC)[NH+]1CCCC1 ZINC000091602521 180203531 /nfs/dbraw/zinc/20/35/31/180203531.db2.gz DLRPURHYZCDTTD-KBPBESRZSA-N 1 0 251.374 2.201 10 0 CEAERO CC[NH2+][C@@H](c1cnn(C)c1)[C@@](C)(CC)N1CCCC1 ZINC000091607388 180203829 /nfs/dbraw/zinc/20/38/29/180203829.db2.gz XMAHFVDEUUSWOS-LSDHHAIUSA-N 1 0 264.417 2.335 10 0 CEAERO CCn1ncnc1C[C@H]([NH2+]C)[C@@](C)(CC)N1CCCCC1 ZINC000091610060 180205001 /nfs/dbraw/zinc/20/50/01/180205001.db2.gz RWYVQABUXGQXIV-GOEBONIOSA-N 1 0 293.459 2.083 10 0 CEAERO CC[C@@](C)([C@H](N)Cc1ncnn1C(C)C)[NH+]1CCCCC1 ZINC000091609537 180205131 /nfs/dbraw/zinc/20/51/31/180205131.db2.gz DSPKWGHGIBZJGK-ZBFHGGJFSA-N 1 0 293.459 2.383 10 0 CEAERO CC[C@](C)([C@@H](NC)c1nccn1C)[NH+]1CCCCC1 ZINC000091609732 180205259 /nfs/dbraw/zinc/20/52/59/180205259.db2.gz YPDINPWNAJWOHS-DZGCQCFKSA-N 1 0 264.417 2.335 10 0 CEAERO CC[C@](C)([C@@H](N)Cc1ccnc(N)c1)[NH+]1CCCCC1 ZINC000091609004 180205994 /nfs/dbraw/zinc/20/59/94/180205994.db2.gz BEHQXPMGCVWSFK-GOEBONIOSA-N 1 0 276.428 2.188 10 0 CEAERO CC[C@@](C)([C@@H]([NH3+])Cc1ccsc1)N1CCOCC1 ZINC000091611895 180206571 /nfs/dbraw/zinc/20/65/71/180206571.db2.gz ZUHGHVPHWSWFNU-KBPBESRZSA-N 1 0 268.426 2.119 10 0 CEAERO CC[C@@](C)([C@H]([NH3+])c1cccs1)N1CCOCC1 ZINC000091612181 180207012 /nfs/dbraw/zinc/20/70/12/180207012.db2.gz TUNOHQVMVMJZHB-OLZOCXBDSA-N 1 0 254.399 2.249 10 0 CEAERO CC[NH2+][C@@H](c1nccn1CC)[C@@](C)(CC)N1CCOCC1 ZINC000091612980 180207224 /nfs/dbraw/zinc/20/72/24/180207224.db2.gz CADGIYSTFQBFMH-GOEBONIOSA-N 1 0 294.443 2.055 10 0 CEAERO CC[C@](C)([C@@H]([NH3+])CCC(F)(F)F)N1CCOCC1 ZINC000091612160 180207427 /nfs/dbraw/zinc/20/74/27/180207427.db2.gz IQEJJEHPRKFPRV-WDEREUQCSA-N 1 0 268.323 2.157 10 0 CEAERO CC[NH+](CC)C(CC)(CC)[C@H](N)Cc1cc(C)nn1C ZINC000091615975 180208304 /nfs/dbraw/zinc/20/83/04/180208304.db2.gz JTMCVMOTWLWOOZ-OAHLLOKOSA-N 1 0 280.460 2.499 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]CC2CC(O)C2)C12CCCCC2 ZINC000091524453 180178462 /nfs/dbraw/zinc/17/84/62/180178462.db2.gz WALBSXVQWIKKND-PFSRBDOWSA-N 1 0 267.413 2.475 10 0 CEAERO O[C@H](C[NH2+]CC1CC(O)C1)c1cccc(C(F)(F)F)c1 ZINC000091525858 180178860 /nfs/dbraw/zinc/17/88/60/180178860.db2.gz RDGVBTAWHZGHGQ-UTVJUBTNSA-N 1 0 289.297 2.099 10 0 CEAERO C[NH2+][C@H](Cc1ccn(C2CCCC2)n1)C(C)(C)N(C)C ZINC000091528615 180180394 /nfs/dbraw/zinc/18/03/94/180180394.db2.gz AOZDTWILOZBWQH-OAHLLOKOSA-N 1 0 278.444 2.469 10 0 CEAERO C[NH2+][C@H](Cc1ccc(F)cc1F)C(C)(C)N(C)C ZINC000091528798 180180810 /nfs/dbraw/zinc/18/08/10/180180810.db2.gz LQGAVNXZUIYHTQ-CYBMUJFWSA-N 1 0 256.340 2.436 10 0 CEAERO C[NH2+][C@@H](c1cc(C)cnc1N)C(C)(C)N1CCCC1 ZINC000091534428 180181174 /nfs/dbraw/zinc/18/11/74/180181174.db2.gz BRJJRZDVDVPJFU-ZDUSSCGKSA-N 1 0 262.401 2.107 10 0 CEAERO CCn1nccc1[C@H]([NH2+]C)C(C)(C)N1CCCC1 ZINC000091534374 180181641 /nfs/dbraw/zinc/18/16/41/180181641.db2.gz BEODGRFRMRTKBU-ZDUSSCGKSA-N 1 0 250.390 2.038 10 0 CEAERO CC[NH2+][C@@H](c1ccnn1CC)C(C)(C)N1CCCC1 ZINC000091535152 180182363 /nfs/dbraw/zinc/18/23/63/180182363.db2.gz LXKAFWKHPLXKOU-AWEZNQCLSA-N 1 0 264.417 2.428 10 0 CEAERO COc1ccc(C)cc1CN(C)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091539643 180183166 /nfs/dbraw/zinc/18/31/66/180183166.db2.gz OPADVRBPHGRZMA-GXTWGEPZSA-N 1 0 276.380 2.089 10 0 CEAERO C[C@H](CCc1ccccc1)NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091543799 180185292 /nfs/dbraw/zinc/18/52/92/180185292.db2.gz WNNTWZNNHVRKKL-SNPRPXQTSA-N 1 0 260.381 2.251 10 0 CEAERO COc1ccc([C@H](C)NC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1F ZINC000091545388 180186359 /nfs/dbraw/zinc/18/63/59/180186359.db2.gz SJJVVIPUXBMKHH-WCQGTBRESA-N 1 0 280.343 2.139 10 0 CEAERO Cc1nn(C(C)C)c(C)c1NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091545872 180186388 /nfs/dbraw/zinc/18/63/88/180186388.db2.gz FYKDWHQZKHQWOO-NWDGAFQWSA-N 1 0 264.373 2.147 10 0 CEAERO COC(=O)c1c(C)c(C)sc1NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091546002 180187064 /nfs/dbraw/zinc/18/70/64/180187064.db2.gz PWPIKKRUWHYTMI-VHSXEESVSA-N 1 0 296.392 2.217 10 0 CEAERO CC(C)C(=O)Nc1cccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)c1 ZINC000091548097 180187516 /nfs/dbraw/zinc/18/75/16/180187516.db2.gz JBHGTCZVPXRECI-RYUDHWBXSA-N 1 0 289.379 2.347 10 0 CEAERO CCOC(=O)c1cc(C)sc1NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091546933 180187667 /nfs/dbraw/zinc/18/76/67/180187667.db2.gz DXKSSXZUYSUIBT-VHSXEESVSA-N 1 0 296.392 2.299 10 0 CEAERO CCn1nc(C)c(N)c1N1CCC(C[NH+]2CCCC2)CC1 ZINC000091553771 180189653 /nfs/dbraw/zinc/18/96/53/180189653.db2.gz GZZUHGZATJVFDQ-UHFFFAOYSA-N 1 0 291.443 2.106 10 0 CEAERO CCC(CC)([C@H](NC)c1nccn1C)[NH+]1CCCC1 ZINC000091635128 180211022 /nfs/dbraw/zinc/21/10/22/180211022.db2.gz QSWYBOWSJPCDIV-CYBMUJFWSA-N 1 0 264.417 2.335 10 0 CEAERO CCC(CC)([C@@H](N)C1CCOCC1)[NH+]1CCCC1 ZINC000091634707 180211088 /nfs/dbraw/zinc/21/10/88/180211088.db2.gz TZISWCGCMSNVFY-AWEZNQCLSA-N 1 0 254.418 2.395 10 0 CEAERO Cc1nn(C)c(C[C@H](N)C2([NH+](C)C)CCCC2)c1Cl ZINC000091637194 180211107 /nfs/dbraw/zinc/21/11/07/180211107.db2.gz VWUZWUKFOZNKOF-LBPRGKRZSA-N 1 0 284.835 2.126 10 0 CEAERO CCc1nn(C)c(C[C@@H](N)C2([NH+](C)C)CCCC2)c1Cl ZINC000091637227 180211193 /nfs/dbraw/zinc/21/11/93/180211193.db2.gz MITFOGUEKNDKFC-CYBMUJFWSA-N 1 0 298.862 2.380 10 0 CEAERO CCc1cc(C[C@@H]([NH2+]C)C2(N(C)C)CCCC2)n(CC)n1 ZINC000091637732 180211925 /nfs/dbraw/zinc/21/19/25/180211925.db2.gz FNPBVUMSMSUYDB-MRXNPFEDSA-N 1 0 292.471 2.470 10 0 CEAERO CC[NH+](CC)C1([C@H](O)c2cccnc2N)CCCC1 ZINC000091638854 180212112 /nfs/dbraw/zinc/21/21/12/180212112.db2.gz VTSLCHTZEKWMAG-CYBMUJFWSA-N 1 0 263.385 2.352 10 0 CEAERO CC[NH+](CC)C1(C(=O)Cc2ccnc(N)c2)CCCC1 ZINC000091638557 180212364 /nfs/dbraw/zinc/21/23/64/180212364.db2.gz HWCLQJZBBOGKCE-UHFFFAOYSA-N 1 0 275.396 2.430 10 0 CEAERO CN[C@H](c1ccnn1C)C1([NH+]2CCCCC2)CCCC1 ZINC000091642174 180213272 /nfs/dbraw/zinc/21/32/72/180213272.db2.gz HKAATTGVCDVRFN-OAHLLOKOSA-N 1 0 276.428 2.479 10 0 CEAERO C[NH2+][C@@H](CCC1CC1)C1(N2CCOCC2)CCCC1 ZINC000091643217 180213795 /nfs/dbraw/zinc/21/37/95/180213795.db2.gz XZSRUAQBSUFZCS-HNNXBMFYSA-N 1 0 266.429 2.410 10 0 CEAERO [NH3+][C@@H](CCC[C@@H]1CCCO1)C1(N2CCOCC2)CCCC1 ZINC000091643074 180213961 /nfs/dbraw/zinc/21/39/61/180213961.db2.gz YDHBDKUUONRBAU-CVEARBPZSA-N 1 0 296.455 2.308 10 0 CEAERO CCn1cc(C[C@@H](N)C2([NH+](C)C)CCCCC2)cn1 ZINC000091647117 180215648 /nfs/dbraw/zinc/21/56/48/180215648.db2.gz QNCBKYIAOUGBPQ-CQSZACIVSA-N 1 0 264.417 2.037 10 0 CEAERO CC1CCC([C@H](N)Cc2ccccn2)([NH+](C)C)CC1 ZINC000091648721 180216391 /nfs/dbraw/zinc/21/63/91/180216391.db2.gz GSDQBCRWXANDMF-OGVSOVDVSA-N 1 0 261.413 2.462 10 0 CEAERO CC1CCC([C@@H](O)c2cnccc2N)([NH+](C)C)CC1 ZINC000091648666 180216582 /nfs/dbraw/zinc/21/65/82/180216582.db2.gz BYLVXPAHCZBASL-WPBUFGDCSA-N 1 0 263.385 2.208 10 0 CEAERO c1cnc2c(c1)CCC[C@H]2[NH2+][C@@H]1CN2CCC1CC2 ZINC000091660179 180218641 /nfs/dbraw/zinc/21/86/41/180218641.db2.gz SOYQUNZWYPMMTH-HUUCEWRRSA-N 1 0 257.381 2.143 10 0 CEAERO Cc1cnc(Cl)nc1NC[C@@H]1CCCC[N@H+]1C ZINC000091658754 180218803 /nfs/dbraw/zinc/21/88/03/180218803.db2.gz CHENRTJXZVDORO-JTQLQIEISA-N 1 0 254.765 2.335 10 0 CEAERO CCN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CCCc2cccnc21 ZINC000091660946 180218908 /nfs/dbraw/zinc/21/89/08/180218908.db2.gz JBTWUJYTEPBTGT-GXTWGEPZSA-N 1 0 275.396 2.306 10 0 CEAERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@@H]1CN(C)CCO1 ZINC000091666861 180221673 /nfs/dbraw/zinc/22/16/73/180221673.db2.gz WXNZQPJUOCYCAP-KLHDSHLOSA-N 1 0 268.445 2.367 10 0 CEAERO CCOc1ccccc1[C@H](C)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000091666720 180221807 /nfs/dbraw/zinc/22/18/07/180221807.db2.gz JZVHYXGJGJJZPB-UONOGXRCSA-N 1 0 278.396 2.067 10 0 CEAERO CN1CCO[C@@H](C[NH2+][C@@H](c2cccs2)C2CC2)C1 ZINC000091667344 180223424 /nfs/dbraw/zinc/22/34/24/180223424.db2.gz ITMHVEQDNICUJO-GXTWGEPZSA-N 1 0 266.410 2.119 10 0 CEAERO CCCn1cc([C@@H](CC[NH+](CC)CC)NC)cn1 ZINC000091716260 180232728 /nfs/dbraw/zinc/23/27/28/180232728.db2.gz FUQDWUOIAZTLIG-CQSZACIVSA-N 1 0 252.406 2.286 10 0 CEAERO CC[NH2+][C@@H](Cc1c(C)cc(C)cc1C)[C@@H]1CN(C)CCO1 ZINC000091718614 180233209 /nfs/dbraw/zinc/23/32/09/180233209.db2.gz NXYHHANDICAVJQ-ROUUACIJSA-N 1 0 290.451 2.463 10 0 CEAERO CC[NH2+][C@H](c1cc(F)ccc1C)[C@@H]1CN(C)CCO1 ZINC000091718755 180233295 /nfs/dbraw/zinc/23/32/95/180233295.db2.gz NPKXCEQAWGPVML-LSDHHAIUSA-N 1 0 266.360 2.115 10 0 CEAERO CCC[NH2+][C@@H](c1ccccc1F)[C@H]1CN(C)CCO1 ZINC000091719228 180234332 /nfs/dbraw/zinc/23/43/32/180234332.db2.gz QVCHEJXQOWJQPH-CABCVRRESA-N 1 0 266.360 2.197 10 0 CEAERO CCC[NH2+][C@@H](c1ccc(C)s1)[C@@H]1CN(C)CCO1 ZINC000091719542 180234473 /nfs/dbraw/zinc/23/44/73/180234473.db2.gz NOTWGSGRWBRFSV-GXTWGEPZSA-N 1 0 268.426 2.428 10 0 CEAERO C[NH2+][C@H](c1ccccc1C)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091720890 180235341 /nfs/dbraw/zinc/23/53/41/180235341.db2.gz BUCPLVINVWZYBL-VNQPRFMTSA-N 1 0 260.381 2.119 10 0 CEAERO CCOc1ccc([C@H]([NH2+]C)[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000091721040 180236476 /nfs/dbraw/zinc/23/64/76/180236476.db2.gz CSHHRGVQWKBFKD-PVAVHDDUSA-N 1 0 290.407 2.209 10 0 CEAERO CC[NH2+][C@H](c1ccccc1F)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721775 180238684 /nfs/dbraw/zinc/23/86/84/180238684.db2.gz YUNNLMCUSURNKY-DAXOMENPSA-N 1 0 278.371 2.340 10 0 CEAERO C[NH2+][C@H](C1CCCCC1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721155 180238698 /nfs/dbraw/zinc/23/86/98/180238698.db2.gz OQPUYDRUVXFLHJ-RBSFLKMASA-N 1 0 252.402 2.018 10 0 CEAERO C[NH2+][C@H](C)c1cccn1CC(=O)N1CCCCCC1 ZINC000091800448 180259465 /nfs/dbraw/zinc/25/94/65/180259465.db2.gz BBMJBWCJVDJEHL-CYBMUJFWSA-N 1 0 263.385 2.171 10 0 CEAERO CCC[NH2+][C@H](C)c1cnc([C@H]2CN(C)CCO2)s1 ZINC000091722509 180239971 /nfs/dbraw/zinc/23/99/71/180239971.db2.gz XGVIMDMKEWGOSM-GHMZBOCLSA-N 1 0 269.414 2.207 10 0 CEAERO CCCN(C(=O)c1ccncc1F)C1CCC([NH3+])CC1 ZINC000091852035 180272809 /nfs/dbraw/zinc/27/28/09/180272809.db2.gz FWEHRKJQAAGLTE-UHFFFAOYSA-N 1 0 279.359 2.343 10 0 CEAERO C[N@H+](CCOCC(F)(F)F)C1CCC2(CC1)OCCO2 ZINC000091853641 180273812 /nfs/dbraw/zinc/27/38/12/180273812.db2.gz TYRLGVMQBMWEDU-UHFFFAOYSA-N 1 0 297.317 2.183 10 0 CEAERO C[N@H+](CCCOCC(F)(F)F)C1CCC(=O)CC1 ZINC000091853931 180273879 /nfs/dbraw/zinc/27/38/79/180273879.db2.gz BLAHVWDKIHISCG-UHFFFAOYSA-N 1 0 267.291 2.399 10 0 CEAERO CCC[NH2+][C@H](C)c1ccn(CCOCCOC)c1 ZINC000091806080 180260599 /nfs/dbraw/zinc/26/05/99/180260599.db2.gz HVEYLHHHFLYJKM-CYBMUJFWSA-N 1 0 254.374 2.212 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccn(CC(=O)NCC(C)C)c1 ZINC000091806595 180260710 /nfs/dbraw/zinc/26/07/10/180260710.db2.gz RQACNGBVSHMKAU-ZDUSSCGKSA-N 1 0 265.401 2.321 10 0 CEAERO CC[NH2+][C@H](CC)c1ccn(CC(=O)N[C@H](C)CC)c1 ZINC000091817121 180262956 /nfs/dbraw/zinc/26/29/56/180262956.db2.gz WJNFITXGDHRGLR-TZMCWYRMSA-N 1 0 265.401 2.463 10 0 CEAERO CCC[C@H]([NH3+])c1ccn(CC(=O)N[C@@H](C)C(C)C)c1 ZINC000091820977 180263749 /nfs/dbraw/zinc/26/37/49/180263749.db2.gz OXASIESQERTWNU-JSGCOSHPSA-N 1 0 265.401 2.449 10 0 CEAERO CCC[C@@H]([NH2+]CC)c1ccn(CCC(=O)NC)c1 ZINC000091822846 180263791 /nfs/dbraw/zinc/26/37/91/180263791.db2.gz WVRCPONKPNNGRG-CYBMUJFWSA-N 1 0 251.374 2.075 10 0 CEAERO CCC[C@H]([NH2+]C)c1ccn(CCCS(=O)(=O)CC)c1 ZINC000091822543 180263799 /nfs/dbraw/zinc/26/37/99/180263799.db2.gz FPYXBGZMOZUIOJ-AWEZNQCLSA-N 1 0 286.441 2.374 10 0 CEAERO CC(C)[C@@H](C)NC(=O)Cn1ccc([C@H]([NH3+])C(C)C)c1 ZINC000091825858 180264737 /nfs/dbraw/zinc/26/47/37/180264737.db2.gz VVCBPVOCKOZLEB-IUODEOHRSA-N 1 0 265.401 2.305 10 0 CEAERO CCC[NH2+][C@@H](c1ccn(C[C@@H](C)C(N)=O)c1)C(C)C ZINC000091828191 180264741 /nfs/dbraw/zinc/26/47/41/180264741.db2.gz QEMDEJXLWLXXLO-TZMCWYRMSA-N 1 0 265.401 2.306 10 0 CEAERO CC[NH2+][C@H](c1ccn(CC(=O)OCC)c1)C(C)C ZINC000091827551 180264770 /nfs/dbraw/zinc/26/47/70/180264770.db2.gz IFTQDIMGEUEYAN-AWEZNQCLSA-N 1 0 252.358 2.358 10 0 CEAERO CC[NH2+][C@@H](c1ccn(CC(=O)N(C)CC)c1)C(C)C ZINC000091827985 180265251 /nfs/dbraw/zinc/26/52/51/180265251.db2.gz FDMHYHPDHRNBNR-OAHLLOKOSA-N 1 0 265.401 2.273 10 0 CEAERO CC[C@@H](C)NC(=O)Cn1ccc([C@@H]([NH2+]C)C(C)C)c1 ZINC000091826616 180265279 /nfs/dbraw/zinc/26/52/79/180265279.db2.gz FGGXYBDCJGYCNM-DOMZBBRYSA-N 1 0 265.401 2.319 10 0 CEAERO CCC[NH2+][C@H](c1ccn(CC(=O)NCC)c1)C(C)C ZINC000091828324 180265590 /nfs/dbraw/zinc/26/55/90/180265590.db2.gz BWSICKTWFGQLMR-HNNXBMFYSA-N 1 0 265.401 2.321 10 0 CEAERO C[C@@H](CO)C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000091842978 180269069 /nfs/dbraw/zinc/26/90/69/180269069.db2.gz RIVJYWMGDCZTHV-PNESKVBLSA-N 1 0 286.416 2.040 10 0 CEAERO NC(=O)c1cc(NC2CCC([NH3+])CC2)nc2ccccc21 ZINC000091843545 180269086 /nfs/dbraw/zinc/26/90/86/180269086.db2.gz DVBLOVRXLSBHLH-UHFFFAOYSA-N 1 0 284.363 2.016 10 0 CEAERO CCN(C(=O)c1ccc2[nH]cnc2c1)C1CCC([NH3+])CC1 ZINC000091850229 180272156 /nfs/dbraw/zinc/27/21/56/180272156.db2.gz VAAAZWBKWVONFX-UHFFFAOYSA-N 1 0 286.379 2.295 10 0 CEAERO CCN(C1CCC([NH3+])CC1)S(=O)(=O)C1CCCCC1 ZINC000091850567 180272255 /nfs/dbraw/zinc/27/22/55/180272255.db2.gz CKMYOWGESUHYBH-UHFFFAOYSA-N 1 0 288.457 2.241 10 0 CEAERO CCC1CCC(C[NH3+])([C@@](C)(O)CC(OC)OC)CC1 ZINC000091925811 180287614 /nfs/dbraw/zinc/28/76/14/180287614.db2.gz CYNCGDDALYEXOS-BLZCZZARSA-N 1 0 273.417 2.292 10 0 CEAERO CC[NH2+]C1CCC(N(C)c2nccn(C(C)C)c2=O)CC1 ZINC000091870791 180277095 /nfs/dbraw/zinc/27/70/95/180277095.db2.gz GLAKSHBGRXOCBU-UHFFFAOYSA-N 1 0 292.427 2.181 10 0 CEAERO C[NH2+]C1CCC([N@H+](C)C[C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000091872953 180277873 /nfs/dbraw/zinc/27/78/73/180277873.db2.gz NIXSTNUCLLXKQH-UYSNPLJNSA-N 1 0 290.407 2.317 10 0 CEAERO CCS(=O)(=O)c1ccc(NC2CCC([NH2+]C)CC2)cc1 ZINC000091873562 180277895 /nfs/dbraw/zinc/27/78/95/180277895.db2.gz JSBSWFUNNABHPC-UHFFFAOYSA-N 1 0 296.436 2.423 10 0 CEAERO O=C(N1CCC[C@H]1[C@H]1CCC[NH2+]C1)N1CCCCCC1 ZINC000091971208 180295026 /nfs/dbraw/zinc/29/50/26/180295026.db2.gz HNPGSUYXDXKRCM-GJZGRUSLSA-N 1 0 279.428 2.446 10 0 CEAERO C[NH2+]C1CCC(N(C)c2ccc(C(N)=O)c(Cl)c2)CC1 ZINC000091873686 180278980 /nfs/dbraw/zinc/27/89/80/180278980.db2.gz YMJKPQANHHEYJT-UHFFFAOYSA-N 1 0 295.814 2.406 10 0 CEAERO C[C@](O)(c1ccccc1)[C@]1(C[NH3+])COc2ccccc2C1 ZINC000091905429 180283947 /nfs/dbraw/zinc/28/39/47/180283947.db2.gz HOGLBPMBCAUERF-ZWKOTPCHSA-N 1 0 283.371 2.474 10 0 CEAERO [NH3+]CC1([C@H](O)c2cc(Cl)c3c(c2)OCCO3)CCC1 ZINC000091910002 180284586 /nfs/dbraw/zinc/28/45/86/180284586.db2.gz XGGQNWNAIKWDHX-CYBMUJFWSA-N 1 0 283.755 2.274 10 0 CEAERO [NH3+]CC1([C@H](O)c2ccc(OC(F)F)cc2)CCC1 ZINC000091909012 180284613 /nfs/dbraw/zinc/28/46/13/180284613.db2.gz HXTZNIHKSAYVKM-LLVKDONJSA-N 1 0 257.280 2.450 10 0 CEAERO CC[C@H](C[NH3+])[C@H](O)c1ccc(OC)c(OC(F)F)c1 ZINC000091909136 180284746 /nfs/dbraw/zinc/28/47/46/180284746.db2.gz RTVSLLIOHGQNKN-PELKAZGASA-N 1 0 275.295 2.315 10 0 CEAERO [NH3+]C[C@@]1([C@H](O)c2ccccc2)COc2ccccc2C1 ZINC000091909524 180284756 /nfs/dbraw/zinc/28/47/56/180284756.db2.gz CKYFQTCXCBSWDM-IAGOWNOFSA-N 1 0 269.344 2.300 10 0 CEAERO [NH3+]CC1([C@@H](O)[C@@H]2CC=CCC2)Cc2ccccc2C1 ZINC000091913907 180285124 /nfs/dbraw/zinc/28/51/24/180285124.db2.gz UMKMRCVPALBKMK-CJNGLKHVSA-N 1 0 257.377 2.448 10 0 CEAERO [NH3+]C[C@@]1([C@H](O)c2ccccn2)CCCc2ccccc21 ZINC000091910169 180285159 /nfs/dbraw/zinc/28/51/59/180285159.db2.gz SDJZKGGFOBEDQY-SJORKVTESA-N 1 0 268.360 2.348 10 0 CEAERO [NH3+]C[C@@]1([C@H](O)c2csc3ccccc32)CCOC1 ZINC000091912256 180285193 /nfs/dbraw/zinc/28/51/93/180285193.db2.gz AUACOJVIDYGXRE-KGLIPLIRSA-N 1 0 263.362 2.300 10 0 CEAERO [NH3+]C[C@@]1([C@H](O)C2CCOCC2)CCCc2ccccc21 ZINC000091913460 180285334 /nfs/dbraw/zinc/28/53/34/180285334.db2.gz NLQBZJIHHJDTKL-SJORKVTESA-N 1 0 275.392 2.007 10 0 CEAERO CCC1CCC(C[NH3+])([C@@H](O)C2CCOCC2)CC1 ZINC000091913508 180285399 /nfs/dbraw/zinc/28/53/99/180285399.db2.gz WBABURMEZZRIQV-BLZCZZARSA-N 1 0 255.402 2.319 10 0 CEAERO CC(C)(C)C[C@@H](O)[C@]1(C[NH3+])CCOc2ccccc21 ZINC000091918049 180285651 /nfs/dbraw/zinc/28/56/51/180285651.db2.gz QPSPMNWUASSURC-ZBFHGGJFSA-N 1 0 263.381 2.463 10 0 CEAERO [NH3+]C[C@]1([C@@]2(O)CCCOCC2)CCCc2ccccc21 ZINC000091922894 180286704 /nfs/dbraw/zinc/28/67/04/180286704.db2.gz RAVKRLBVKQUYCG-IAGOWNOFSA-N 1 0 275.392 2.151 10 0 CEAERO [NH3+]CC1([C@@]2(O)CCC[C@@H](C(F)(F)F)C2)CCOCC1 ZINC000091921667 180286897 /nfs/dbraw/zinc/28/68/97/180286897.db2.gz OLOVBYUIJJXKPG-ZYHUDNBSSA-N 1 0 281.318 2.226 10 0 CEAERO CC1CCC(C[NH3+])(C2(O)CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000091925229 180287465 /nfs/dbraw/zinc/28/74/65/180287465.db2.gz SCVGTTUEFZWDLD-UHFFFAOYSA-N 1 0 298.427 2.123 10 0 CEAERO C[C@H]([NH2+]Cc1cnc2cnc(Br)cn12)C1CC1 ZINC000092049239 180311937 /nfs/dbraw/zinc/31/19/37/180311937.db2.gz GALLKZILLSKPHR-QMMMGPOBSA-N 1 0 295.184 2.380 10 0 CEAERO CC1(C)C[C@H]1[NH2+]Cc1cnc2cnc(Br)cn12 ZINC000092049854 180312193 /nfs/dbraw/zinc/31/21/93/180312193.db2.gz CLTZJNZZUFJNCN-SECBINFHSA-N 1 0 295.184 2.380 10 0 CEAERO NC(=[NH2+])c1ccc(CNC(=O)N2CCCCCC2)cc1 ZINC000091971979 180295438 /nfs/dbraw/zinc/29/54/38/180295438.db2.gz SDXQHHMQMCJBRS-UHFFFAOYSA-N 1 0 274.368 2.056 10 0 CEAERO NC(=[NH2+])[C@@H](NC(=O)N1CCCCCC1)C1CCCCC1 ZINC000091972008 180295716 /nfs/dbraw/zinc/29/57/16/180295716.db2.gz ZTGVVRZSSANEKS-ZDUSSCGKSA-N 1 0 280.416 2.457 10 0 CEAERO C[C@@H]1CCCN(C(=O)N(CC[NH3+])Cc2ccccc2)C1 ZINC000091972710 180295967 /nfs/dbraw/zinc/29/59/67/180295967.db2.gz NHBFKAUCVXWFPX-CQSZACIVSA-N 1 0 275.396 2.299 10 0 CEAERO CC1CCN(C(=O)N2[C@H](C)CCC[C@@H]2C[NH3+])CC1 ZINC000091991217 180299855 /nfs/dbraw/zinc/29/98/55/180299855.db2.gz QNHIIFPCCALEJC-CHWSQXEVSA-N 1 0 253.390 2.040 10 0 CEAERO C[NH2+]Cc1nc(C)ccc1OC[C@@H]1Cc2ccccc2O1 ZINC000091994527 180301607 /nfs/dbraw/zinc/30/16/07/180301607.db2.gz FYRPMNYMDKVCHG-AWEZNQCLSA-N 1 0 284.359 2.492 10 0 CEAERO Cc1ccc(O[C@H]2CCOC2)c(C[NH2+]CC(C)C)n1 ZINC000091996317 180301986 /nfs/dbraw/zinc/30/19/86/180301986.db2.gz PRFSYLRXTAHOPS-ZDUSSCGKSA-N 1 0 264.369 2.303 10 0 CEAERO Cc1ccc(OCC(=O)NC(C)C)c(C[NH2+]CC(C)C)n1 ZINC000091996434 180302179 /nfs/dbraw/zinc/30/21/79/180302179.db2.gz FLUQZRVYNOZNLW-UHFFFAOYSA-N 1 0 293.411 2.039 10 0 CEAERO Cc1ccc(OCc2cscn2)c(C[C@@H](C)[NH3+])n1 ZINC000091999920 180303510 /nfs/dbraw/zinc/30/35/10/180303510.db2.gz QANLZHODZWKPLF-SECBINFHSA-N 1 0 263.366 2.315 10 0 CEAERO CCCOc1nc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1N ZINC000092001516 180303925 /nfs/dbraw/zinc/30/39/25/180303925.db2.gz XPUMTGANHUWVLU-OLZOCXBDSA-N 1 0 290.411 2.126 10 0 CEAERO CC1CCC(CO)(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C)CC1 ZINC000092003187 180304174 /nfs/dbraw/zinc/30/41/74/180304174.db2.gz XGIVHMDJVAAAGQ-GMRIPVOYSA-N 1 0 280.456 2.344 10 0 CEAERO C[C@H](O)c1ccccc1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092001985 180304328 /nfs/dbraw/zinc/30/43/28/180304328.db2.gz NMURNOQGMKOFMH-MJBXVCDLSA-N 1 0 260.381 2.413 10 0 CEAERO CCNc1ccccc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092005739 180305528 /nfs/dbraw/zinc/30/55/28/180305528.db2.gz QVLKUKDVYPSOAF-KGLIPLIRSA-N 1 0 287.407 2.427 10 0 CEAERO C[C@@H](C[NH2+]Cc1ccc(-n2cccn2)cc1)N1CCCC1 ZINC000092021869 180307788 /nfs/dbraw/zinc/30/77/88/180307788.db2.gz XKVDCBZXCABFHL-HNNXBMFYSA-N 1 0 284.407 2.446 10 0 CEAERO CCC[NH2+][C@H](C)c1cccc(-n2ccc(C(N)=O)n2)c1 ZINC000092024185 180308355 /nfs/dbraw/zinc/30/83/55/180308355.db2.gz PSEPUFIJFGJFCI-LLVKDONJSA-N 1 0 272.352 2.032 10 0 CEAERO Cc1cc(N2CC[C@H]([NH+]3CCCCC3)C2)ncc1N ZINC000092027422 180309260 /nfs/dbraw/zinc/30/92/60/180309260.db2.gz QLNSRMCDRCTOPL-ZDUSSCGKSA-N 1 0 260.385 2.037 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)N1CCCCC[C@@H]1c1cccn1C ZINC000092134205 180332031 /nfs/dbraw/zinc/33/20/31/180332031.db2.gz CMQQXFPEBJLIRJ-DZGCQCFKSA-N 1 0 277.412 2.324 10 0 CEAERO COC(C)(C)c1noc([C@H]2C[NH2+]Cc3ccccc32)n1 ZINC000092137821 180333697 /nfs/dbraw/zinc/33/36/97/180333697.db2.gz FIAVLJFJXYBTMX-LBPRGKRZSA-N 1 0 273.336 2.186 10 0 CEAERO C[C@@H]([NH3+])c1ccc(SC[C@H]2CN(C)CCO2)cc1 ZINC000092080064 180318732 /nfs/dbraw/zinc/31/87/32/180318732.db2.gz DDANUUBTIGBWFN-DGCLKSJQSA-N 1 0 266.410 2.129 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(SC[C@H]2CN(C)CCO2)cc1 ZINC000092080069 180318965 /nfs/dbraw/zinc/31/89/65/180318965.db2.gz JBGUXCZPGXZDPQ-GXTWGEPZSA-N 1 0 280.437 2.390 10 0 CEAERO Cc1ccc(N)cc1NC(=O)CC[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000092081271 180319249 /nfs/dbraw/zinc/31/92/49/180319249.db2.gz KHIOVNOZWIZZJI-STQMWFEESA-N 1 0 275.396 2.494 10 0 CEAERO Cc1cc(N)ccc1NC(=O)CC[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000092080733 180319890 /nfs/dbraw/zinc/31/98/90/180319890.db2.gz USQADRJKUJUBML-BETUJISGSA-N 1 0 275.396 2.494 10 0 CEAERO C[C@H]1CN(c2ccc(C[NH2+]C(C)(C)C)nn2)C[C@H]1C ZINC000092089033 180321688 /nfs/dbraw/zinc/32/16/88/180321688.db2.gz FGFHXYLOARUYLX-TXEJJXNPSA-N 1 0 262.401 2.457 10 0 CEAERO C[NH2+][C@H](C)c1ccc(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)cc1 ZINC000092091221 180322226 /nfs/dbraw/zinc/32/22/26/180322226.db2.gz RTJYOXXHTXIFJJ-FRRDWIJNSA-N 1 0 296.436 2.244 10 0 CEAERO CCC[NH2+][C@@H](CN1C(=O)[C@H](C)[C@H](C)C1=O)C(C)(C)C ZINC000092094244 180322773 /nfs/dbraw/zinc/32/27/73/180322773.db2.gz DRHHJDVRJPFGSC-TUAOUCFPSA-N 1 0 268.401 2.042 10 0 CEAERO Cc1ccc(NC(=O)[C@H]2C=C[C@H]([NH3+])C2)c(Cl)c1 ZINC000092201816 180342858 /nfs/dbraw/zinc/34/28/58/180342858.db2.gz YVDWLNRIFAXBNM-UWVGGRQHSA-N 1 0 250.729 2.490 10 0 CEAERO Cc1cc(N2CCCC2)ccc1NC(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092202656 180343327 /nfs/dbraw/zinc/34/33/27/180343327.db2.gz YJPCGSYRFMZIGT-UONOGXRCSA-N 1 0 285.391 2.437 10 0 CEAERO C[C@H](NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1)c1ccccc1OC(F)F ZINC000092203469 180343507 /nfs/dbraw/zinc/34/35/07/180343507.db2.gz LVRARBKZDGHGEE-HBNTYKKESA-N 1 0 296.317 2.369 10 0 CEAERO C[C@H](NC(=O)[C@H]1C=C[C@@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000092205812 180344141 /nfs/dbraw/zinc/34/41/41/180344141.db2.gz DVGGNJBKXBYPME-XHVZSJERSA-N 1 0 264.756 2.421 10 0 CEAERO CCN(Cc1cccc(C)c1)C(=O)[C@@H]1C=C[C@H]([NH3+])C1 ZINC000092204936 180344227 /nfs/dbraw/zinc/34/42/27/180344227.db2.gz QVPRBFYMKOAORP-CABCVRRESA-N 1 0 258.365 2.247 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)Nc2ccc3ncccc3c2)C1 ZINC000092207360 180344279 /nfs/dbraw/zinc/34/42/79/180344279.db2.gz IQSZBQFOWBZORB-NEPJUHHUSA-N 1 0 253.305 2.077 10 0 CEAERO Cc1ccc(CN(C(=O)[C@@H]2C=C[C@@H]([NH3+])C2)C2CC2)cc1 ZINC000092204958 180344285 /nfs/dbraw/zinc/34/42/85/180344285.db2.gz SJPIJCWFIPTZMJ-HUUCEWRRSA-N 1 0 270.376 2.389 10 0 CEAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1Cc2ccccc2S1 ZINC000092231821 180347748 /nfs/dbraw/zinc/34/77/48/180347748.db2.gz ADXYAEJTPDVHQL-YOOVYSLHSA-N 1 0 288.416 2.103 10 0 CEAERO OCC[C@H]1CCCC[N@@H+]1C[C@@H]1COc2ccccc21 ZINC000092305711 180360249 /nfs/dbraw/zinc/36/02/49/180360249.db2.gz FTGYGKXVSYHZON-ZIAGYGMSSA-N 1 0 261.365 2.400 10 0 CEAERO [NH3+]CCc1nnc([C@H]2Cc3ccccc3S2)s1 ZINC000092236177 180349050 /nfs/dbraw/zinc/34/90/50/180349050.db2.gz NTIOYPKIFQLWAS-SNVBAGLBSA-N 1 0 263.391 2.429 10 0 CEAERO CN(C(=O)[C@@H]1Cc2ccccc2S1)[C@H]1CCC[C@H]1C[NH3+] ZINC000092232466 180349284 /nfs/dbraw/zinc/34/92/84/180349284.db2.gz ALXCHRLYIBVBKE-YDHLFZDLSA-N 1 0 290.432 2.289 10 0 CEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C(=O)c1ccccc1SC ZINC000092232577 180349423 /nfs/dbraw/zinc/34/94/23/180349423.db2.gz VESBIIMZSUMJQV-KWCYVHTRSA-N 1 0 290.432 2.479 10 0 CEAERO CC[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccccc1 ZINC000105872409 186080988 /nfs/dbraw/zinc/08/09/88/186080988.db2.gz DKXYIHDWPLYKDV-KGLIPLIRSA-N 1 0 256.353 2.334 10 0 CEAERO C[C@@H]([NH3+])Cc1noc([C@@H]2CSc3ccccc32)n1 ZINC000092240240 180351797 /nfs/dbraw/zinc/35/17/97/180351797.db2.gz NNTVDDGHZCUWPP-PSASIEDQSA-N 1 0 261.350 2.197 10 0 CEAERO OC[C@@]1(C[C@@H]2Cc3ccccc3S2)CCC[NH2+]C1 ZINC000092273907 180356320 /nfs/dbraw/zinc/35/63/20/180356320.db2.gz TXYGJULPFBJHJX-DZGCQCFKSA-N 1 0 263.406 2.456 10 0 CEAERO [NH3+]CCN(C[C@@H]1COc2ccccc21)C1CCCC1 ZINC000092298941 180358496 /nfs/dbraw/zinc/35/84/96/180358496.db2.gz KVGJFPLVLYGSRY-CYBMUJFWSA-N 1 0 260.381 2.366 10 0 CEAERO COc1ccc(OCC[NH2+]C[C@H]2CCCCO2)cc1 ZINC000105877578 186082467 /nfs/dbraw/zinc/08/24/67/186082467.db2.gz SIQWZOZXTVBEQG-OAHLLOKOSA-N 1 0 265.353 2.233 10 0 CEAERO Fc1ccccc1C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000105884493 186083061 /nfs/dbraw/zinc/08/30/61/186083061.db2.gz KWXWWMGLUOXWEM-CYBMUJFWSA-N 1 0 274.343 2.329 10 0 CEAERO C[C@@H](C[N@H+](C)C[C@@H]1COc2ccccc21)C(N)=S ZINC000092301756 180359724 /nfs/dbraw/zinc/35/97/24/180359724.db2.gz VJLZIRCQBZMEQE-WDEREUQCSA-N 1 0 264.394 2.017 10 0 CEAERO COc1ccc(Cc2noc([C@@H]3C=C[C@@H]([NH3+])C3)n2)cc1 ZINC000092181542 180338766 /nfs/dbraw/zinc/33/87/66/180338766.db2.gz WTUPQNYZJKYYRX-VXGBXAGGSA-N 1 0 271.320 2.040 10 0 CEAERO Cc1ccccc1Cc1noc([C@@H]2C=C[C@H]([NH3+])C2)n1 ZINC000092181612 180338982 /nfs/dbraw/zinc/33/89/82/180338982.db2.gz XWAUBVVXDPPDPA-OLZOCXBDSA-N 1 0 255.321 2.340 10 0 CEAERO Cc1cnn([C@@H]2CCC[N@H+](C[C@H](O)Cc3ccccc3)C2)c1 ZINC000105901118 186087193 /nfs/dbraw/zinc/08/71/93/186087193.db2.gz DTFUSUFCVLSSOU-QZTJIDSGSA-N 1 0 299.418 2.432 10 0 CEAERO Cc1cnn([C@H]2CCC[N@@H+](CCOC(C)C)C2)c1 ZINC000105900580 186088197 /nfs/dbraw/zinc/08/81/97/186088197.db2.gz AQPMUVBAIUCRPD-AWEZNQCLSA-N 1 0 251.374 2.253 10 0 CEAERO Cc1nc(C)n(C[C@H]2CCC[N@@H+](CCCOC(C)C)C2)n1 ZINC000105919734 186089124 /nfs/dbraw/zinc/08/91/24/186089124.db2.gz UXYNMJIYKGWWGV-INIZCTEOSA-N 1 0 294.443 2.422 10 0 CEAERO CC[NH2+]CCc1c(CC)nc(-c2ncccn2)nc1CC ZINC000092318623 180361786 /nfs/dbraw/zinc/36/17/86/180361786.db2.gz MQEPLPMNVXATLF-UHFFFAOYSA-N 1 0 285.395 2.210 10 0 CEAERO CCC[NH2+]CCc1c(CC)nc(CN(C)C)nc1CC ZINC000092318672 180361948 /nfs/dbraw/zinc/36/19/48/180361948.db2.gz HTRDVUFFAWSREJ-UHFFFAOYSA-N 1 0 278.444 2.205 10 0 CEAERO CCc1nc(CCOC)nc(CC)c1CC[NH2+]C(C)C ZINC000092318809 180362000 /nfs/dbraw/zinc/36/20/00/180362000.db2.gz JOVHMQYSWVDWBU-UHFFFAOYSA-N 1 0 279.428 2.331 10 0 CEAERO CCN1CCC[C@@H]1C[NH2+]CCc1ccc(OC)cc1 ZINC000105935699 186094151 /nfs/dbraw/zinc/09/41/51/186094151.db2.gz YKDOOEUPNZBDRN-OAHLLOKOSA-N 1 0 262.397 2.312 10 0 CEAERO CC[C@H](CC[NH3+])CCC(=O)NCc1c(C)noc1C ZINC000092330498 180363761 /nfs/dbraw/zinc/36/37/61/180363761.db2.gz GNCSHXDLLLWRTM-LBPRGKRZSA-N 1 0 267.373 2.063 10 0 CEAERO COc1cccc([C@@H](C[NH3+])NCc2ccccc2)c1OC ZINC000106024070 186098166 /nfs/dbraw/zinc/09/81/66/186098166.db2.gz VMANLXLORUQJEO-OAHLLOKOSA-N 1 0 286.375 2.493 10 0 CEAERO COCC[N@@H+]1CCN(Cc2ccc(Cl)cc2)C[C@@H]1C ZINC000106110286 186102422 /nfs/dbraw/zinc/10/24/22/186102422.db2.gz QYQLRPITEAETTK-ZDUSSCGKSA-N 1 0 282.815 2.493 10 0 CEAERO CC[C@H]1CN(Cc2ccc(F)c(F)c2)CC[N@@H+]1C[C@@H](C)O ZINC000106103930 186103312 /nfs/dbraw/zinc/10/33/12/186103312.db2.gz JOUQFPDOIWLYRG-OCCSQVGLSA-N 1 0 298.377 2.242 10 0 CEAERO CC[C@H](C)[C@H]1CN(Cc2c(C)noc2C)CC[NH2+]1 ZINC000092342596 180366104 /nfs/dbraw/zinc/36/61/04/180366104.db2.gz KFJXQEHSWUSMOX-IINYFYTJSA-N 1 0 251.374 2.111 10 0 CEAERO Cc1noc(C)c1CN1CC(C)(C)[NH2+]C[C@@H]1C(C)C ZINC000092342875 180366680 /nfs/dbraw/zinc/36/66/80/180366680.db2.gz ANHRRONISDFPLQ-CQSZACIVSA-N 1 0 265.401 2.500 10 0 CEAERO Cc1cc(NC(=O)[C@@H](C[NH3+])Cc2ccccc2)ccn1 ZINC000092349303 180367537 /nfs/dbraw/zinc/36/75/37/180367537.db2.gz VCWKMPCGGVSLSN-CQSZACIVSA-N 1 0 269.348 2.146 10 0 CEAERO CC[C@H]1CN(Cc2cccc(Cl)n2)CC[N@@H+]1C ZINC000092366541 180369223 /nfs/dbraw/zinc/36/92/23/180369223.db2.gz DNXUPJAFLPMGME-LBPRGKRZSA-N 1 0 253.777 2.261 10 0 CEAERO CCO[C@@H](C)c1nc(CC)c(CC[NH3+])c(CC)n1 ZINC000092308320 180360983 /nfs/dbraw/zinc/36/09/83/180360983.db2.gz DZCAIOSOOASMJP-JTQLQIEISA-N 1 0 251.374 2.200 10 0 CEAERO CCc1nc(-c2cccnc2)nc(CC)c1CC[NH2+]C ZINC000092318342 180361034 /nfs/dbraw/zinc/36/10/34/180361034.db2.gz VYCHBYWIXGYAFG-UHFFFAOYSA-N 1 0 270.380 2.425 10 0 CEAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@@H](S(=O)(=O)CC(C)C)CC2 ZINC000092388610 180374604 /nfs/dbraw/zinc/37/46/04/180374604.db2.gz LWXRADHIVHKUBP-LSDHHAIUSA-N 1 0 297.420 2.081 10 0 CEAERO C[NH2+][C@@H]1c2cc(OC)ccc2CC[C@@H]1Sc1nc[nH]n1 ZINC000092389666 180375154 /nfs/dbraw/zinc/37/51/54/180375154.db2.gz GYLSXKYEFABFMN-QWHCGFSZSA-N 1 0 290.392 2.181 10 0 CEAERO CCOC(=O)CS[C@@H]1CCc2ccc(OC)cc2[C@H]1[NH3+] ZINC000092389445 180375258 /nfs/dbraw/zinc/37/52/58/180375258.db2.gz GGHYTJDIKSLNQW-UKRRQHHQSA-N 1 0 295.404 2.306 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@H](SC[C@@H](C)CO)CC2 ZINC000092390186 180375315 /nfs/dbraw/zinc/37/53/15/180375315.db2.gz YHPXBUQBSNCLAH-VQISRLSMSA-N 1 0 281.421 2.371 10 0 CEAERO CC[C@@H](C)N(CCOC)Cc1cc(NC)cc[nH+]1 ZINC000092418757 180381235 /nfs/dbraw/zinc/38/12/35/180381235.db2.gz STRHBFYZCKKSQN-GFCCVEGCSA-N 1 0 251.374 2.370 10 0 CEAERO CCCNc1cc[nH+]c(CN2CC[C@@H](COC)C2)c1 ZINC000092419354 180381979 /nfs/dbraw/zinc/38/19/79/180381979.db2.gz RSRUQFDNTUEPTA-CYBMUJFWSA-N 1 0 263.385 2.372 10 0 CEAERO Cc1cccc(CN(C)Cc2cccc(C(N)=[NH2+])c2)n1 ZINC000092429761 180384214 /nfs/dbraw/zinc/38/42/14/180384214.db2.gz GRXULDGXPPJVQR-UHFFFAOYSA-N 1 0 268.364 2.306 10 0 CEAERO C[NH2+][C@@H]1c2cc(OC)ccc2CC[C@@H]1OCCCOC ZINC000092386722 180373774 /nfs/dbraw/zinc/37/37/74/180373774.db2.gz BZQNLPVVUBXPQP-JKSUJKDBSA-N 1 0 279.380 2.324 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)CS(C)(=O)=O)CCC2 ZINC000092384225 180373884 /nfs/dbraw/zinc/37/38/84/180373884.db2.gz AXBMHSOJQJSSOD-XHDPSFHLSA-N 1 0 297.420 2.095 10 0 CEAERO CC(C)COc1ccc(N(C)C(=O)CC[NH3+])cc1 ZINC000107294741 186167951 /nfs/dbraw/zinc/16/79/51/186167951.db2.gz IMZVKDMIPUMQQK-UHFFFAOYSA-N 1 0 250.342 2.033 10 0 CEAERO COc1cc(C(=O)C[NH2+]C(C)C)c(OC)cc1C ZINC000107295071 186168369 /nfs/dbraw/zinc/16/83/69/186168369.db2.gz XGRDHFNTDSVVLF-UHFFFAOYSA-N 1 0 251.326 2.193 10 0 CEAERO Cc1cccc(CN(C)c2cccc(C(N)=[NH2+])c2)n1 ZINC000092429764 180384364 /nfs/dbraw/zinc/38/43/64/180384364.db2.gz UBAMJPGCHAEKGF-UHFFFAOYSA-N 1 0 254.337 2.310 10 0 CEAERO CC[NH2+]Cc1c(C)nn(Cc2cccc(C)n2)c1C ZINC000092431490 180384391 /nfs/dbraw/zinc/38/43/91/180384391.db2.gz QMRSYENBIZJCTK-UHFFFAOYSA-N 1 0 258.369 2.361 10 0 CEAERO OCc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2CO)cc1 ZINC000107800156 186191259 /nfs/dbraw/zinc/19/12/59/186191259.db2.gz QQCGORPROLCJSX-JKSUJKDBSA-N 1 0 263.381 2.067 10 0 CEAERO O=C(c1ccc2[nH]ccc2c1)N1CCN2CCCC[C@@H]2C1 ZINC000107574258 186179923 /nfs/dbraw/zinc/17/99/23/186179923.db2.gz VJWHBGUCGCXRFP-OAHLLOKOSA-N 1 0 283.375 2.478 10 0 CEAERO CC(C)[N@H+](C)CCCCn1c(N)nc2cnccc21 ZINC000092513930 180399895 /nfs/dbraw/zinc/39/98/95/180399895.db2.gz VWKHDKBZHNSAND-UHFFFAOYSA-N 1 0 261.373 2.134 10 0 CEAERO CC(C)(c1nc(C(F)(F)F)cs1)N1CC[NH2+]CC1 ZINC000109473005 186255382 /nfs/dbraw/zinc/25/53/82/186255382.db2.gz KUXHMLYRECEBLN-UHFFFAOYSA-N 1 0 279.331 2.302 10 0 CEAERO C[C@@H](c1nccc(C2CCCC2)n1)N1CC[NH2+]CC1 ZINC000109475600 186255421 /nfs/dbraw/zinc/25/54/21/186255421.db2.gz GRKNQUAUOMTHAL-LBPRGKRZSA-N 1 0 260.385 2.100 10 0 CEAERO CCC[NH2+][C@@H](CC)Cc1nc(-c2ccncc2)no1 ZINC000109498425 186256399 /nfs/dbraw/zinc/25/63/99/186256399.db2.gz WIOGFJHMKZOPBB-LBPRGKRZSA-N 1 0 260.341 2.452 10 0 CEAERO CCC[NH2+][C@H]1CCC[C@H]1c1nc(C[C@@H]2CCCO2)no1 ZINC000109495627 186257017 /nfs/dbraw/zinc/25/70/17/186257017.db2.gz VNMDTBVAJDVMST-XQQFMLRXSA-N 1 0 279.384 2.427 10 0 CEAERO CC[C@H](Cc1nc(-c2ccc(OC)cc2)no1)[NH2+]C ZINC000109503143 186257535 /nfs/dbraw/zinc/25/75/35/186257535.db2.gz XQEPILQYHQMHEO-LLVKDONJSA-N 1 0 261.325 2.286 10 0 CEAERO COC[C@@H]([NH3+])Cc1nc([C@H]2CCCc3ccccc32)no1 ZINC000109514935 186258021 /nfs/dbraw/zinc/25/80/21/186258021.db2.gz YCFAKEJFIKQIGK-JSGCOSHPSA-N 1 0 287.363 2.054 10 0 CEAERO C[NH2+][C@@H](Cc1nc(Cc2cccc(OC)c2)no1)C(C)C ZINC000109513212 186258179 /nfs/dbraw/zinc/25/81/79/186258179.db2.gz JFTRLCHXLLMLGW-AWEZNQCLSA-N 1 0 289.379 2.456 10 0 CEAERO CC[NH2+][C@H](C)[C@@H](c1nc(-c2cnccn2)no1)C(C)C ZINC000109507285 186258197 /nfs/dbraw/zinc/25/81/97/186258197.db2.gz YVTCMGZOLBQLSX-PWSUYJOCSA-N 1 0 275.356 2.264 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1c1nc(CCc2ccccc2)no1 ZINC000109515485 186258396 /nfs/dbraw/zinc/25/83/96/186258396.db2.gz KFBMAVJYPHSBOV-CHWSQXEVSA-N 1 0 257.337 2.450 10 0 CEAERO CC[NH2+][C@H]1CCC[C@@H]1c1nc(Cc2ccncc2)no1 ZINC000109509031 186258613 /nfs/dbraw/zinc/25/86/13/186258613.db2.gz LWHIYSAMFNFYQV-STQMWFEESA-N 1 0 272.352 2.301 10 0 CEAERO C[NH2+][C@H](C)CCc1nc(Cc2ccccc2OC)no1 ZINC000109513429 186258655 /nfs/dbraw/zinc/25/86/55/186258655.db2.gz FCFOJNXLCFVSIA-LLVKDONJSA-N 1 0 275.352 2.210 10 0 CEAERO CCC[NH2+][C@H](C)[C@H](C)c1nc(COCCC)no1 ZINC000109519872 186259125 /nfs/dbraw/zinc/25/91/25/186259125.db2.gz AAJVPDNFVWSKKA-WDEREUQCSA-N 1 0 255.362 2.488 10 0 CEAERO CC(C)OCCOc1cc(C[NH3+])nc2ccccc21 ZINC000109590245 186264857 /nfs/dbraw/zinc/26/48/57/186264857.db2.gz BBWPVMTWEZRHAI-UHFFFAOYSA-N 1 0 260.337 2.497 10 0 CEAERO CN(c1cc(CO)[nH+]c2ccccc21)C1CCOCC1 ZINC000109594319 186265260 /nfs/dbraw/zinc/26/52/60/186265260.db2.gz RYMLOVBALHECHC-UHFFFAOYSA-N 1 0 272.348 2.342 10 0 CEAERO CN(C[C@H]1CCCO1)c1cc(CO)[nH+]c2ccccc21 ZINC000109594452 186265288 /nfs/dbraw/zinc/26/52/88/186265288.db2.gz YTFDLCONTUYFKI-CYBMUJFWSA-N 1 0 272.348 2.342 10 0 CEAERO CCC(CC)[N@H+](CCO)Cc1c(N)cccc1F ZINC000109427573 186251957 /nfs/dbraw/zinc/25/19/57/186251957.db2.gz PYHWOANVFZDYSM-UHFFFAOYSA-N 1 0 254.349 2.391 10 0 CEAERO [NH3+]C[C@@]1(N2CCC3(CCCCC3)CC2)CCOC1 ZINC000109431850 186252219 /nfs/dbraw/zinc/25/22/19/186252219.db2.gz CAJACCPUYGNMOM-HNNXBMFYSA-N 1 0 252.402 2.151 10 0 CEAERO CC(C)N(Cc1cccs1)[C@]1(C[NH3+])CCOC1 ZINC000109431695 186252451 /nfs/dbraw/zinc/25/24/51/186252451.db2.gz YJEBZQDLOXOPSD-ZDUSSCGKSA-N 1 0 254.399 2.076 10 0 CEAERO CC(C)(c1nc(C2CC2)cc(C2CC2)n1)N1CC[NH2+]CC1 ZINC000109476212 186254774 /nfs/dbraw/zinc/25/47/74/186254774.db2.gz YASXWMKNUANOSH-UHFFFAOYSA-N 1 0 286.423 2.372 10 0 CEAERO CC[C@H](c1nc2c(s1)CSCC2)N1CC[NH2+]CC1 ZINC000109472647 186254957 /nfs/dbraw/zinc/25/49/57/186254957.db2.gz QGUCDYMDNKQABU-LLVKDONJSA-N 1 0 283.466 2.289 10 0 CEAERO CCc1cc(C2CC2)nc([C@@H](CC)N2CC[NH2+]CC2)n1 ZINC000109475870 186255198 /nfs/dbraw/zinc/25/51/98/186255198.db2.gz GMLVGKGHOBWNSU-OAHLLOKOSA-N 1 0 274.412 2.273 10 0 CEAERO CCC[C@H](c1noc(C(C)(C)C)n1)N1CC[NH2+]CC1 ZINC000109475077 186255226 /nfs/dbraw/zinc/25/52/26/186255226.db2.gz SXUHICIZTDJHEF-LLVKDONJSA-N 1 0 266.389 2.114 10 0 CEAERO CCC[C@H](C(N)=S)[NH+]1CCN(Cc2cccs2)CC1 ZINC000109470299 186255237 /nfs/dbraw/zinc/25/52/37/186255237.db2.gz LPDOZJLJELOCHK-CYBMUJFWSA-N 1 0 297.493 2.321 10 0 CEAERO Cc1nnc(S[C@@H](C)C[NH2+]C2CCCC2)n1C ZINC000110250040 186288994 /nfs/dbraw/zinc/28/89/94/186288994.db2.gz YUWQHKBCPOJDKT-VIFPVBQESA-N 1 0 254.403 2.136 10 0 CEAERO CCC([NH3+])(CC)c1nc(-c2cccs2)cc(=O)[nH]1 ZINC000110466001 186297655 /nfs/dbraw/zinc/29/76/55/186297655.db2.gz FHAQEZRPSPWUEV-UHFFFAOYSA-N 1 0 263.366 2.472 10 0 CEAERO CC[NH2+][C@H](CC)[C@H](C)c1nc(-c2cnccn2)no1 ZINC000110470113 186298414 /nfs/dbraw/zinc/29/84/14/186298414.db2.gz PUEGDTOZEDJHLE-VHSXEESVSA-N 1 0 261.329 2.018 10 0 CEAERO C[NH2+]Cc1cc2ccccc2c(O[C@@H]2CCOC2)n1 ZINC000110532704 186301909 /nfs/dbraw/zinc/30/19/09/186301909.db2.gz CDTFQQYIFIGHQZ-CYBMUJFWSA-N 1 0 258.321 2.122 10 0 CEAERO COc1cc(NCCC[NH+]2CCCC2)c(N)cc1F ZINC000110627970 186306405 /nfs/dbraw/zinc/30/64/05/186306405.db2.gz AJLRLTUPIKVCHF-UHFFFAOYSA-N 1 0 267.348 2.314 10 0 CEAERO Nc1cc(F)c(OCCC[NH+]2CCCC2)cc1F ZINC000110623567 186306586 /nfs/dbraw/zinc/30/65/86/186306586.db2.gz DZCMIFHWLDNVLO-UHFFFAOYSA-N 1 0 256.296 2.412 10 0 CEAERO COc1cc(N2CC[NH+](C(C)(C)C)CC2)c(N)cc1F ZINC000110626713 186307093 /nfs/dbraw/zinc/30/70/93/186307093.db2.gz WUVKJSHIQVGWEH-UHFFFAOYSA-N 1 0 281.375 2.337 10 0 CEAERO CCOC(=O)[C@@](C)(CC[N@H+](C)CC1CCCC1)NC ZINC000110840596 186328342 /nfs/dbraw/zinc/32/83/42/186328342.db2.gz SMVQMMIEWBTJHG-OAHLLOKOSA-N 1 0 270.417 2.040 10 0 CEAERO C[C@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)N(C)CC1CCCC1 ZINC000110848203 186329750 /nfs/dbraw/zinc/32/97/50/186329750.db2.gz SDJXCWVFYYITIH-XBFCOCLRSA-N 1 0 252.402 2.399 10 0 CEAERO C[NH+](C)Cc1ccccc1CNCc1nccs1 ZINC000110908109 186331179 /nfs/dbraw/zinc/33/11/79/186331179.db2.gz OKUXEROKSLUSOX-UHFFFAOYSA-N 1 0 261.394 2.495 10 0 CEAERO NC(=[NH2+])c1cnc2ccccc2c1Sc1cnccn1 ZINC000110913457 186332368 /nfs/dbraw/zinc/33/23/68/186332368.db2.gz OBQCSVQSOBXOJG-UHFFFAOYSA-N 1 0 281.344 2.460 10 0 CEAERO COc1ccccc1[C@H](C[NH3+])Sc1cnccn1 ZINC000110912569 186332978 /nfs/dbraw/zinc/33/29/78/186332978.db2.gz UONSNGRPFNQQRP-LBPRGKRZSA-N 1 0 261.350 2.277 10 0 CEAERO CC[NH+]1CCC(NCc2n[nH]nc2-c2ccccc2)CC1 ZINC000110925041 186333306 /nfs/dbraw/zinc/33/33/06/186333306.db2.gz KNYWQGXJMMGKJD-UHFFFAOYSA-N 1 0 285.395 2.046 10 0 CEAERO CC(C)c1ccccc1NC(=O)CN(C)[C@@H]1CCC[NH2+]C1 ZINC000110929292 186333554 /nfs/dbraw/zinc/33/35/54/186333554.db2.gz HLUWHRRTNNUUIM-CQSZACIVSA-N 1 0 289.423 2.432 10 0 CEAERO CN(C(=O)c1ccc(Cl)cc1F)[C@@H]1CCC[NH2+]C1 ZINC000110927278 186333801 /nfs/dbraw/zinc/33/38/01/186333801.db2.gz MHHKMFCJZBWEQH-SNVBAGLBSA-N 1 0 270.735 2.303 10 0 CEAERO CCCN(C(=O)c1scnc1C)[C@@H]1CCC[NH2+]C1 ZINC000110940857 186334333 /nfs/dbraw/zinc/33/43/33/186334333.db2.gz LQQAKKVHZWVCQW-LLVKDONJSA-N 1 0 267.398 2.056 10 0 CEAERO CCN([C@@H](C)c1c(C)nn(C)c1C)[C@@H]1CCC[NH2+]C1 ZINC000110935795 186334801 /nfs/dbraw/zinc/33/48/01/186334801.db2.gz PVDGBSDXPWDBSU-UONOGXRCSA-N 1 0 264.417 2.172 10 0 CEAERO CCN(Cc1cc(OC)cc(OC)c1)[C@@H]1CCC[NH2+]C1 ZINC000110936255 186335105 /nfs/dbraw/zinc/33/51/05/186335105.db2.gz QTHPAMLGQKRPRN-CQSZACIVSA-N 1 0 278.396 2.278 10 0 CEAERO [NH3+][C@@H]1CCCc2nc(Cc3nc4ccccc4[nH]3)ncc21 ZINC000110950987 186335323 /nfs/dbraw/zinc/33/53/23/186335323.db2.gz BTTLARAQHILENV-LLVKDONJSA-N 1 0 279.347 2.280 10 0 CEAERO CCCN(Cc1nc(C)c(C)o1)[C@@H]1CCC[NH2+]C1 ZINC000110945327 186335674 /nfs/dbraw/zinc/33/56/74/186335674.db2.gz UZGVHVKRAIDBMU-CYBMUJFWSA-N 1 0 251.374 2.255 10 0 CEAERO C[NH2+]Cc1cnc(Cc2nc3ccccc3[nH]2)s1 ZINC000110950076 186335801 /nfs/dbraw/zinc/33/58/01/186335801.db2.gz SXHQYKWZUXZBRL-UHFFFAOYSA-N 1 0 258.350 2.330 10 0 CEAERO CC[C@H]([NH3+])[C@@H](C)c1nc(Cc2nc3ccccc3[nH]2)no1 ZINC000110951438 186336184 /nfs/dbraw/zinc/33/61/84/186336184.db2.gz VZVHWGHAOGYLFA-ZJUUUORDSA-N 1 0 285.351 2.378 10 0 CEAERO C[NH2+][C@H](C)c1ccc(C)cc1OCC(=O)NC(C)C ZINC000110959317 186336295 /nfs/dbraw/zinc/33/62/95/186336295.db2.gz GBKMZTVAVCHNOO-GFCCVEGCSA-N 1 0 264.369 2.179 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1c1nc(Cc2nc3ccccc3[nH]2)no1 ZINC000110951454 186336605 /nfs/dbraw/zinc/33/66/05/186336605.db2.gz LQBGRWGZQPLEFF-NXEZZACHSA-N 1 0 283.335 2.132 10 0 CEAERO C[NH2+][C@H](C)[C@@H](C)c1nc(Cc2nc3ccccc3[nH]2)no1 ZINC000110951481 186337152 /nfs/dbraw/zinc/33/71/52/186337152.db2.gz ZQTZJDXTWPICKW-NXEZZACHSA-N 1 0 285.351 2.248 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(C)cc1OC[C@H]1CNC(=O)O1 ZINC000110960804 186337526 /nfs/dbraw/zinc/33/75/26/186337526.db2.gz YNOSAQHZZCKBQV-NWDGAFQWSA-N 1 0 278.352 2.153 10 0 CEAERO Cc1ccc(C[C@H](C[NH3+])C(=O)N2CCCCC2)cc1F ZINC000110974671 186338202 /nfs/dbraw/zinc/33/82/02/186338202.db2.gz ILJQWAMDPPKTMX-CQSZACIVSA-N 1 0 278.371 2.264 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Oc1ccccc1CO)c1ccccn1 ZINC000110992857 186340370 /nfs/dbraw/zinc/34/03/70/186340370.db2.gz AQEVNGUYJVTUQF-CZUORRHYSA-N 1 0 272.348 2.431 10 0 CEAERO Cc1ccc([C@H](SCCS(C)(=O)=O)[C@@H](C)[NH3+])cc1 ZINC000111004238 186340912 /nfs/dbraw/zinc/34/09/12/186340912.db2.gz PMWLFCZQKDLEGL-DGCLKSJQSA-N 1 0 287.450 2.161 10 0 CEAERO CC[N@@H+]1CCN(C(=O)c2ccc(NC)c(C)c2)C[C@@H]1C ZINC000110696668 186314640 /nfs/dbraw/zinc/31/46/40/186314640.db2.gz UUWASHHGEHQEOB-ZDUSSCGKSA-N 1 0 275.396 2.203 10 0 CEAERO Cc1ccccc1C(=O)CN1CC[N@@H+](C)C(C)(C)C1 ZINC000110729191 186318051 /nfs/dbraw/zinc/31/80/51/186318051.db2.gz PLLUDOMILDVZHP-UHFFFAOYSA-N 1 0 260.381 2.204 10 0 CEAERO COc1ccc([C@H](O)[C@@H](C)[N@@H+]2CCN(C)C(C)(C)C2)cc1 ZINC000110736519 186318799 /nfs/dbraw/zinc/31/87/99/186318799.db2.gz UYCYOCGRGPJVDP-CZUORRHYSA-N 1 0 292.423 2.143 10 0 CEAERO CC[N@@H+]1CCN(CCC(=O)c2ccccc2F)C[C@@H]1C ZINC000110743814 186319515 /nfs/dbraw/zinc/31/95/15/186319515.db2.gz CYSSXEGRCYYEPI-ZDUSSCGKSA-N 1 0 278.371 2.425 10 0 CEAERO CC[C@@H]1CN(CCNc2ccccc2C)CC[N@@H+]1C ZINC000110757402 186320425 /nfs/dbraw/zinc/32/04/25/186320425.db2.gz QMYZFSVJVRDRQS-OAHLLOKOSA-N 1 0 261.413 2.433 10 0 CEAERO COc1cc(N2CC[NH+](C3CCCC3)CC2)ccc1N ZINC000111055510 186349654 /nfs/dbraw/zinc/34/96/54/186349654.db2.gz TVQGUFUBNZNMNC-UHFFFAOYSA-N 1 0 275.396 2.342 10 0 CEAERO CNc1c(F)cc(C(=O)N(C)CCC[NH+](C)C)cc1F ZINC000111151928 186360946 /nfs/dbraw/zinc/36/09/46/186360946.db2.gz XOTARORNWYTNCP-UHFFFAOYSA-N 1 0 285.338 2.030 10 0 CEAERO C[N@@H+](Cc1nc2cc(N)ccc2[nH]1)C[C@@H]1CCCOC1 ZINC000111154913 186361156 /nfs/dbraw/zinc/36/11/56/186361156.db2.gz IMQBMTGTEOQAGC-NSHDSACASA-N 1 0 274.368 2.004 10 0 CEAERO C[C@@H]1CCCC[C@]1(CN)[N@H+](C)CC1CCOCC1 ZINC000111159382 186361535 /nfs/dbraw/zinc/36/15/35/186361535.db2.gz IEUFLDUNVXONKL-UKRRQHHQSA-N 1 0 254.418 2.252 10 0 CEAERO CCOc1ccc([C@@H](N)C[N@H+](C)C[C@@H]2CCCOC2)cc1 ZINC000111160277 186362267 /nfs/dbraw/zinc/36/22/67/186362267.db2.gz NIFFYUCBXSEPHS-YOEHRIQHSA-N 1 0 292.423 2.444 10 0 CEAERO CCOc1ccc([C@H](C[NH3+])N(C)C[C@@H]2CCCOC2)cc1 ZINC000111158587 186362418 /nfs/dbraw/zinc/36/24/18/186362418.db2.gz IMIQLYUGASFVSL-YOEHRIQHSA-N 1 0 292.423 2.444 10 0 CEAERO CC(C)CCNC(=O)C[NH2+]C[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000111086421 186351970 /nfs/dbraw/zinc/35/19/70/186351970.db2.gz BSEXHLIGCGMSAW-BFHYXJOUSA-N 1 0 252.402 2.175 10 0 CEAERO CCCOCCOC[C@@H]([NH3+])c1ccc(OC)c(OC)c1 ZINC000111107317 186352237 /nfs/dbraw/zinc/35/22/37/186352237.db2.gz IQXQTWUCTDLCAI-CYBMUJFWSA-N 1 0 283.368 2.147 10 0 CEAERO CCCOCCOC(=O)C1([NH3+])CCC(CC)CC1 ZINC000111106302 186352621 /nfs/dbraw/zinc/35/26/21/186352621.db2.gz XMYOABNZIFTSKF-UHFFFAOYSA-N 1 0 257.374 2.254 10 0 CEAERO CCCOCCO[C@H]1COc2ccccc2[C@H]1[NH2+]C ZINC000111108056 186353577 /nfs/dbraw/zinc/35/35/77/186353577.db2.gz IXXHZKYPYHSUHW-LSDHHAIUSA-N 1 0 265.353 2.151 10 0 CEAERO C[NH2+][C@H]1c2ccccc2OC[C@@H]1N(C)CC1CCOCC1 ZINC000111162275 186363390 /nfs/dbraw/zinc/36/33/90/186363390.db2.gz VRNBCQHJVRRPDP-RDJZCZTQSA-N 1 0 290.407 2.067 10 0 CEAERO CCOCCN(CC)[C@@H](C[NH3+])c1ccc(OC)c(OC)c1 ZINC000111117319 186354875 /nfs/dbraw/zinc/35/48/75/186354875.db2.gz HJYANTDZGTYAAT-AWEZNQCLSA-N 1 0 296.411 2.062 10 0 CEAERO CCOCCN(CC)C[C@H]([NH3+])c1ccc(OC)cc1 ZINC000111118552 186355515 /nfs/dbraw/zinc/35/55/15/186355515.db2.gz KLUBEXYPHGMFCD-HNNXBMFYSA-N 1 0 266.385 2.053 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2OC[C@@H]1N(CC)CCOCC ZINC000111118792 186355668 /nfs/dbraw/zinc/35/56/68/186355668.db2.gz IJRQABORGDIOBJ-DOTOQJQBSA-N 1 0 292.423 2.457 10 0 CEAERO CN(CCC[NH+](C)C)c1nc2ccccc2cc1CO ZINC000111139444 186357674 /nfs/dbraw/zinc/35/76/74/186357674.db2.gz QCYPKOOKAWCAFI-UHFFFAOYSA-N 1 0 273.380 2.115 10 0 CEAERO COc1cc2c(cc1F)[nH+]c(N)n2CC1CCOCC1 ZINC000111167640 186363625 /nfs/dbraw/zinc/36/36/25/186363625.db2.gz KBNSAGFCTAZRRZ-UHFFFAOYSA-N 1 0 279.315 2.193 10 0 CEAERO C[N@H+](CC1CCOCC1)C[C@@H]1CCCCC[C@@H]1O ZINC000111173418 186365897 /nfs/dbraw/zinc/36/58/97/186365897.db2.gz OJCQHIMZJPGPAH-GJZGRUSLSA-N 1 0 255.402 2.286 10 0 CEAERO C[C@@H]1CCC[C@H](CNC(=O)[C@@H]2CCOc3ccccc32)[NH2+]1 ZINC000111186395 186366971 /nfs/dbraw/zinc/36/69/71/186366971.db2.gz QCPWTMLNWGJIHJ-UMVBOHGHSA-N 1 0 288.391 2.200 10 0 CEAERO C[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCOc3ccccc32)C[NH2+]1 ZINC000111186405 186366998 /nfs/dbraw/zinc/36/69/98/186366998.db2.gz QPFLRRXBHRNHPA-VNHYZAJKSA-N 1 0 288.391 2.057 10 0 CEAERO CC(C)(C)C1CC[NH+]([C@H](CN)[C@@H]2CCCOC2)CC1 ZINC000111321128 186396909 /nfs/dbraw/zinc/39/69/09/186396909.db2.gz OAEWMKOEABEZFH-UKRRQHHQSA-N 1 0 268.445 2.498 10 0 CEAERO COCC[NH2+][C@H](c1nc(C)c(C)s1)[C@@H]1CCCOC1 ZINC000111322386 186397550 /nfs/dbraw/zinc/39/75/50/186397550.db2.gz AIMKZWDIOUULMQ-OLZOCXBDSA-N 1 0 284.425 2.464 10 0 CEAERO C[NH2+]C[C@]1(CN(C)Cc2ccc(C)o2)CCCOC1 ZINC000111325122 186399161 /nfs/dbraw/zinc/39/91/61/186399161.db2.gz XDBKWZZRBIBNRM-HNNXBMFYSA-N 1 0 266.385 2.036 10 0 CEAERO CC[C@@H](c1nc(Cc2nc3ccccc3[nH]2)no1)[C@H](C)[NH3+] ZINC000111237892 186373403 /nfs/dbraw/zinc/37/34/03/186373403.db2.gz SDUOGRLNFZREHK-VHSXEESVSA-N 1 0 285.351 2.378 10 0 CEAERO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1nc2ccccc2n1C ZINC000111234000 186373441 /nfs/dbraw/zinc/37/34/41/186373441.db2.gz OSYHLJQRYQGCSD-GXTWGEPZSA-N 1 0 259.353 2.230 10 0 CEAERO CCN(Cc1ccco1)C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111244962 186376017 /nfs/dbraw/zinc/37/60/17/186376017.db2.gz LAHWDXCDSYSAOK-GFCCVEGCSA-N 1 0 290.285 2.170 10 0 CEAERO Cc1nc2ccc(NC(=O)[C@@H]3C[NH2+]C[C@H]3C)cc2s1 ZINC000111265086 186381777 /nfs/dbraw/zinc/38/17/77/186381777.db2.gz RLPGGXDEKWIRJF-LDYMZIIASA-N 1 0 275.377 2.399 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000111267542 186383149 /nfs/dbraw/zinc/38/31/49/186383149.db2.gz GZOXNSJRPDINOB-CBAPKCEASA-N 1 0 288.269 2.221 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N(C)CCCCc1ccccc1 ZINC000111269225 186383623 /nfs/dbraw/zinc/38/36/23/186383623.db2.gz ODPYVHQGHWIHEP-ZBFHGGJFSA-N 1 0 274.408 2.323 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CCC[C@@H]1Cc1ccccc1 ZINC000111268484 186383826 /nfs/dbraw/zinc/38/38/26/186383826.db2.gz YZPXNCXURBORRG-BMFZPTHFSA-N 1 0 272.392 2.076 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)N(Cc1ccsc1)C1CC1 ZINC000111270764 186383884 /nfs/dbraw/zinc/38/38/84/186383884.db2.gz ZZEFSBFPEYPPEW-GXFFZTMASA-N 1 0 264.394 2.095 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)[C@H]2C[NH2+]C[C@@H]2C)s1 ZINC000111271837 186384586 /nfs/dbraw/zinc/38/45/86/186384586.db2.gz YPHLYFWIPDQZFU-GDPRMGEGSA-N 1 0 252.383 2.089 10 0 CEAERO CC[C@H](C)c1noc(-c2sc(C[NH3+])nc2C)n1 ZINC000111274393 186385855 /nfs/dbraw/zinc/38/58/55/186385855.db2.gz YXNYULDLGYHLMD-LURJTMIESA-N 1 0 252.343 2.474 10 0 CEAERO Cc1ccc2cccc(NC(=O)[C@@H]3C[NH2+]C[C@@H]3C)c2n1 ZINC000111272639 186385872 /nfs/dbraw/zinc/38/58/72/186385872.db2.gz BPNPWDJSPSVZHG-GXFFZTMASA-N 1 0 269.348 2.337 10 0 CEAERO Cc1ccc(F)c(NC(=O)c2ccc(C[NH3+])cn2)c1 ZINC000111281353 186387908 /nfs/dbraw/zinc/38/79/08/186387908.db2.gz AUDXIWHGWCXIGC-UHFFFAOYSA-N 1 0 259.284 2.240 10 0 CEAERO CCc1ccc(N(C)C(=O)c2ccc(C[NH3+])cn2)cc1 ZINC000111282212 186389079 /nfs/dbraw/zinc/38/90/79/186389079.db2.gz VWZBEOHTAQYUBY-UHFFFAOYSA-N 1 0 269.348 2.379 10 0 CEAERO [NH3+]CCc1ccc(NC(=O)c2ccc3c(c2)COC3)cc1 ZINC000111304915 186393450 /nfs/dbraw/zinc/39/34/50/186393450.db2.gz LQOYCQDHFRMRMC-UHFFFAOYSA-N 1 0 282.343 2.470 10 0 CEAERO Cc1nn(C)c(N2CC[C@@H](C)C[C@@H]2C)c1C[C@@H](C)[NH3+] ZINC000111495754 186423456 /nfs/dbraw/zinc/42/34/56/186423456.db2.gz NDLDOVPTWHARFL-UTUOFQBUSA-N 1 0 264.417 2.243 10 0 CEAERO CC[C@H]([NH3+])Cc1ccc(SCCS(C)(=O)=O)cc1 ZINC000111578809 186428900 /nfs/dbraw/zinc/42/89/00/186428900.db2.gz CJTGJHKBOOGDRB-LBPRGKRZSA-N 1 0 287.450 2.103 10 0 CEAERO [NH3+]CCc1c(Sc2ccccn2)nc2ccccn21 ZINC000111581699 186429853 /nfs/dbraw/zinc/42/98/53/186429853.db2.gz AKBMGDAZRNUYFG-UHFFFAOYSA-N 1 0 270.361 2.382 10 0 CEAERO C[C@H]([NH3+])Cc1ccccc1Sc1nnnn1C1CC1 ZINC000111581998 186430164 /nfs/dbraw/zinc/43/01/64/186430164.db2.gz JMDAPRMZPHRGFH-VIFPVBQESA-N 1 0 275.381 2.049 10 0 CEAERO C[NH2+]Cc1ccc(S(=O)(=O)NCC2(C)CCCC2)cc1 ZINC000111623214 186432489 /nfs/dbraw/zinc/43/24/89/186432489.db2.gz YAKXARLJFCNJLI-UHFFFAOYSA-N 1 0 296.436 2.265 10 0 CEAERO C[C@@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)NCC1(C)CCCC1 ZINC000111624579 186433367 /nfs/dbraw/zinc/43/33/67/186433367.db2.gz LXSXTMHIOVAHDC-FRRDWIJNSA-N 1 0 252.402 2.446 10 0 CEAERO O=C(CC[C@H]1CCCC[NH2+]1)NCCOC1CCCCC1 ZINC000111641004 186436295 /nfs/dbraw/zinc/43/62/95/186436295.db2.gz QZXBFXKFQBPGGG-CQSZACIVSA-N 1 0 282.428 2.374 10 0 CEAERO CCC1(c2nc(-c3cc(C)ccn3)no2)CC[NH2+]CC1 ZINC000111679623 186440583 /nfs/dbraw/zinc/44/05/83/186440583.db2.gz XNGPVYGXIUKNCU-UHFFFAOYSA-N 1 0 272.352 2.471 10 0 CEAERO CC[NH2+]C[C@@H]1CCCN(CC(=O)Nc2ccccc2F)C1 ZINC000111698293 186446180 /nfs/dbraw/zinc/44/61/80/186446180.db2.gz YVOXUEMEIPEZLV-ZDUSSCGKSA-N 1 0 293.386 2.086 10 0 CEAERO CC(C)CNC(=O)CN1CCCC[C@@H]1C[NH2+]C(C)(C)C ZINC000111703861 186447593 /nfs/dbraw/zinc/44/75/93/186447593.db2.gz BHQFQFLMJUTABD-CQSZACIVSA-N 1 0 283.460 2.001 10 0 CEAERO CCC[C@H](C)NC(=O)[C@@H](C)N1CCCC[C@@H]1[C@@H](C)[NH2+]C ZINC000111710813 186449455 /nfs/dbraw/zinc/44/94/55/186449455.db2.gz NTGUTKZCQMOODD-GBJTYRQASA-N 1 0 283.460 2.142 10 0 CEAERO CCCCS(=O)(=O)N1CCCC[C@@H]1C[NH2+]C(C)(C)C ZINC000111720998 186450563 /nfs/dbraw/zinc/45/05/63/186450563.db2.gz DVKKFNAREUUNTQ-CYBMUJFWSA-N 1 0 290.473 2.359 10 0 CEAERO CCC(CC)(C[NH3+])Nc1ccc(S(C)(=O)=O)cc1 ZINC000111823150 186459784 /nfs/dbraw/zinc/45/97/84/186459784.db2.gz KRYUWNPRJDBZJF-UHFFFAOYSA-N 1 0 270.398 2.020 10 0 CEAERO [NH3+]CCN(C(=O)Cc1cccc(F)c1)C1CCCCC1 ZINC000111363080 186405587 /nfs/dbraw/zinc/40/55/87/186405587.db2.gz OZKPKSFFSCJNBN-UHFFFAOYSA-N 1 0 278.371 2.488 10 0 CEAERO C[C@H]1CCC[C@@](C[NH3+])(NC(=O)Cc2ccc(F)cc2)C1 ZINC000111369750 186407517 /nfs/dbraw/zinc/40/75/17/186407517.db2.gz LGTAKDAZWIQYKE-BLLLJJGKSA-N 1 0 278.371 2.392 10 0 CEAERO CCC(CC)N(CC[NH3+])C(=O)Cc1ccc(F)cc1 ZINC000111368593 186407856 /nfs/dbraw/zinc/40/78/56/186407856.db2.gz QOTZUHYENDSXGH-UHFFFAOYSA-N 1 0 266.360 2.344 10 0 CEAERO [NH3+]CCC[C@@H]1CCCN1C(=O)[C@H]1CCOc2ccccc21 ZINC000111370751 186408282 /nfs/dbraw/zinc/40/82/82/186408282.db2.gz DGGNYKDWAQOPCN-HIFRSBDPSA-N 1 0 288.391 2.283 10 0 CEAERO COc1ccccc1NC(=O)N1CCC[C@H]1CCC[NH3+] ZINC000111372061 186408953 /nfs/dbraw/zinc/40/89/53/186408953.db2.gz SJDBAOSZIPPYDV-GFCCVEGCSA-N 1 0 277.368 2.430 10 0 CEAERO CC[C@@H]1CN(C(=O)c2cccc3c2CCCN3)CC[N@@H+]1C ZINC000113243605 186563580 /nfs/dbraw/zinc/56/35/80/186563580.db2.gz RNZFNBNBIBGIFC-CYBMUJFWSA-N 1 0 287.407 2.211 10 0 CEAERO O[C@H](c1ccccc1Br)[C@@H]1CCC[NH2+]1 ZINC000069843633 363007427 /nfs/dbraw/zinc/00/74/27/363007427.db2.gz XRRRKHHXHDZXAL-WDEREUQCSA-N 1 0 256.143 2.235 10 0 CEAERO O[C@H]1CCC[C@H]([NH2+]Cc2ccc(Br)cn2)C1 ZINC000069938653 363014419 /nfs/dbraw/zinc/01/44/19/363014419.db2.gz PNARKODXGCRHSG-JQWIXIFHSA-N 1 0 285.185 2.237 10 0 CEAERO CCS(=O)(=O)c1ccc(N2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000070073954 363027495 /nfs/dbraw/zinc/02/74/95/363027495.db2.gz FMELNNLQJGEHMO-ZDUSSCGKSA-N 1 0 296.436 2.045 10 0 CEAERO [NH3+]Cc1cnc(-c2cccc3c2OCCCO3)s1 ZINC000629739512 351492902 /nfs/dbraw/zinc/49/29/02/351492902.db2.gz ZFKYHWCOHBZFEY-UHFFFAOYSA-N 1 0 262.334 2.430 10 0 CEAERO Cc1cnc(NC(=O)C(C)(C)[C@H]2CCC[NH2+]C2)s1 ZINC000119524826 186833810 /nfs/dbraw/zinc/83/38/10/186833810.db2.gz GTHDUOMISBALOW-JTQLQIEISA-N 1 0 267.398 2.416 10 0 CEAERO C[C@H]1CN(C(=O)c2csc(C(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000630094100 351616538 /nfs/dbraw/zinc/61/65/38/351616538.db2.gz ZHJSPEFYYNPLNU-CBAPKCEASA-N 1 0 292.326 2.434 10 0 CEAERO CC(C)c1nc(-c2ccccn2)cc(N2CC[NH2+]CC2)n1 ZINC000070451678 363083857 /nfs/dbraw/zinc/08/38/57/363083857.db2.gz OHRYZTXBKPGUTM-UHFFFAOYSA-N 1 0 283.379 2.072 10 0 CEAERO Clc1cccc(-c2nccc(N3CC[NH2+]CC3)n2)c1 ZINC000070451319 363082957 /nfs/dbraw/zinc/08/29/57/363082957.db2.gz XWUKEUNATFZUSS-UHFFFAOYSA-N 1 0 274.755 2.207 10 0 CEAERO CC(C)c1nc(-c2ccncc2)cc(N2CCC[NH2+]CC2)n1 ZINC000070452005 363083935 /nfs/dbraw/zinc/08/39/35/363083935.db2.gz NTWZQANVWZDHMG-UHFFFAOYSA-N 1 0 297.406 2.462 10 0 CEAERO CC(C)c1nc(-c2ccncc2)cc(N2CC[NH2+]CC2)n1 ZINC000070451676 363084197 /nfs/dbraw/zinc/08/41/97/363084197.db2.gz BAQSMKBZZFZDIF-UHFFFAOYSA-N 1 0 283.379 2.072 10 0 CEAERO Cc1nc(NC[C@@H]2CCC[NH2+]C2)cc(-c2ccccn2)n1 ZINC000070456385 363085317 /nfs/dbraw/zinc/08/53/17/363085317.db2.gz HSCXGRDESGOYLU-CYBMUJFWSA-N 1 0 283.379 2.259 10 0 CEAERO CO[C@@H]1CN(CCSc2ccccc2)[C@@](C)(C[NH3+])C1 ZINC000630361543 351711870 /nfs/dbraw/zinc/71/18/70/351711870.db2.gz JQNYBDBETMEDTM-DZGCQCFKSA-N 1 0 280.437 2.217 10 0 CEAERO CCCC[C@H](CC)C(=O)N1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630361522 351711884 /nfs/dbraw/zinc/71/18/84/351711884.db2.gz MMWOJBMJEYEKRJ-GZBFAFLISA-N 1 0 270.417 2.168 10 0 CEAERO CC[C@H](CC(F)F)CN1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630366356 351714812 /nfs/dbraw/zinc/71/48/12/351714812.db2.gz KDYQCZLXKWLDSW-WZRBSPASSA-N 1 0 264.360 2.106 10 0 CEAERO CO[C@H]1CN(Cc2ccc(F)c(Cl)c2)[C@@](C)(C[NH3+])C1 ZINC000630369780 351715450 /nfs/dbraw/zinc/71/54/50/351715450.db2.gz YCDFUASRSABSIB-BXUZGUMPSA-N 1 0 286.778 2.417 10 0 CEAERO C[C@]12C[NH2+]C[C@@]1(C)CN(c1nccc3occc31)C2 ZINC000630539770 351777901 /nfs/dbraw/zinc/77/79/01/351777901.db2.gz KFGZXZZKLQSLHE-GASCZTMLSA-N 1 0 257.337 2.264 10 0 CEAERO C(CC1CCCC1)C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000122286919 187024690 /nfs/dbraw/zinc/02/46/90/187024690.db2.gz SUWKIQFFQWLSNE-INIZCTEOSA-N 1 0 266.429 2.363 10 0 CEAERO CCc1nc2n(n1)C[C@@H]([NH2+]C[C@H]1CC=CCC1)CC2 ZINC000122342523 187027601 /nfs/dbraw/zinc/02/76/01/187027601.db2.gz WVYATUUTHXFAMN-STQMWFEESA-N 1 0 260.385 2.101 10 0 CEAERO Cc1cnn(C[C@@H]2C[N@H+](C[C@H]3CC=CCC3)CCO2)c1 ZINC000122365840 187028600 /nfs/dbraw/zinc/02/86/00/187028600.db2.gz ZORPBPIWIGLWOM-HOTGVXAUSA-N 1 0 275.396 2.249 10 0 CEAERO [NH3+]CCOc1ccc(NC(=O)c2ccsc2)cc1 ZINC000122490068 187035081 /nfs/dbraw/zinc/03/50/81/187035081.db2.gz CJZZLILSFBFDNK-UHFFFAOYSA-N 1 0 262.334 2.338 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCC2(C)CCC2)C1 ZINC000122923526 187060020 /nfs/dbraw/zinc/06/00/20/187060020.db2.gz WBWXYYUIBYXJSH-OLZOCXBDSA-N 1 0 267.417 2.205 10 0 CEAERO CC[C@@](C)(O)C[N@H+](C)Cc1ccc(OC)cc1OC ZINC000123032634 187067438 /nfs/dbraw/zinc/06/74/38/187067438.db2.gz BVXMLFXZYQHSTG-OAHLLOKOSA-N 1 0 267.369 2.297 10 0 CEAERO CC[C@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccc(OC)cc1 ZINC000123351763 187086440 /nfs/dbraw/zinc/08/64/40/187086440.db2.gz VNNBSSSYLUIVIB-YOEHRIQHSA-N 1 0 292.423 2.457 10 0 CEAERO COc1ccc2c(c1)[C@@H]([NH2+]CCn1cc(C)cn1)CC2 ZINC000123949509 187115725 /nfs/dbraw/zinc/11/57/25/187115725.db2.gz JBRNKNIDKPXBDF-INIZCTEOSA-N 1 0 271.364 2.477 10 0 CEAERO CN(CC[N@@H+]1CC[C@H](c2cnn(C)c2)C1)c1ccccc1 ZINC000131738088 366082342 /nfs/dbraw/zinc/08/23/42/366082342.db2.gz YJOYSHYZMOXCGB-HNNXBMFYSA-N 1 0 284.407 2.346 10 0 CEAERO CC(C)(C)OC(=O)N1[C@@H](C[NH3+])CC[C@@H]1C(F)(F)F ZINC000071372638 363108999 /nfs/dbraw/zinc/10/89/99/363108999.db2.gz GQOHUHQEYJOQJV-HTQZYQBOSA-N 1 0 268.279 2.276 10 0 CEAERO [NH3+]C1(CC(=O)N[C@@H]2CCCc3ccccc32)CCC1 ZINC000094293635 539874295 /nfs/dbraw/zinc/87/42/95/539874295.db2.gz FKZZGBSHVAWZRD-CQSZACIVSA-N 1 0 258.365 2.452 10 0 CEAERO CCc1cc2c(ncnc2NC[C@H]2CC[NH2+]C2)s1 ZINC000133816407 187709348 /nfs/dbraw/zinc/70/93/48/187709348.db2.gz RRZKIZYRMJAISF-VIFPVBQESA-N 1 0 262.382 2.275 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)C1 ZINC000252639746 539883726 /nfs/dbraw/zinc/88/37/26/539883726.db2.gz KDHGUQKPOLDSOY-BYNSBNAKSA-N 1 0 254.418 2.121 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)C[NH2+]C2CC2)cc1F ZINC000094956397 539888374 /nfs/dbraw/zinc/88/83/74/539888374.db2.gz JFCSBIWOHNPWAZ-SNVBAGLBSA-N 1 0 250.317 2.063 10 0 CEAERO O=C(NCC[NH+]1CCCCCC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250829429 539968871 /nfs/dbraw/zinc/96/88/71/539968871.db2.gz INGOKIIVVSKDDH-BTTYYORXSA-N 1 0 250.386 2.025 10 0 CEAERO C[NH+](C)C[C@H](NC(=O)NC(C)(C)C)c1ccccc1 ZINC000153834923 188106091 /nfs/dbraw/zinc/10/60/91/188106091.db2.gz KAPRXEYVYSUHBD-ZDUSSCGKSA-N 1 0 263.385 2.387 10 0 CEAERO CC[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(F)cc1 ZINC000154938972 188171810 /nfs/dbraw/zinc/17/18/10/188171810.db2.gz YEEXEPKJSJMXSZ-ZIAGYGMSSA-N 1 0 274.343 2.473 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)COc2ccccc2F)[C@@H](C)C1 ZINC000155332466 188198752 /nfs/dbraw/zinc/19/87/52/188198752.db2.gz VDSINUNPXWGLRR-JSGCOSHPSA-N 1 0 294.370 2.049 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Cc2cccc(F)c2)C1 ZINC000155393529 188204170 /nfs/dbraw/zinc/20/41/70/188204170.db2.gz OXNUUQMMUDMKHO-DOMZBBRYSA-N 1 0 278.371 2.213 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccsc2)C1 ZINC000155816918 188229085 /nfs/dbraw/zinc/22/90/85/188229085.db2.gz ZWIMBXSOHOTJHG-PWSUYJOCSA-N 1 0 252.383 2.207 10 0 CEAERO CC1(C)CCc2ccccc2[C@H]1[NH2+]CCOCCO ZINC000156724214 188277984 /nfs/dbraw/zinc/27/79/84/188277984.db2.gz LSLHFZKXBKLTMG-OAHLLOKOSA-N 1 0 263.381 2.299 10 0 CEAERO Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@@H](C)[NH3+])o1 ZINC000157378535 188313630 /nfs/dbraw/zinc/31/36/30/188313630.db2.gz JDLFDOVRHNBKHX-WCQGTBRESA-N 1 0 250.342 2.235 10 0 CEAERO Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@@H](C)[NH3+])o1 ZINC000157378262 188313950 /nfs/dbraw/zinc/31/39/50/188313950.db2.gz JDLFDOVRHNBKHX-JLLWLGSASA-N 1 0 250.342 2.235 10 0 CEAERO C[C@H]1CCCN(c2nccc(C(F)(F)F)n2)[C@H]1C[NH3+] ZINC000252182347 540001584 /nfs/dbraw/zinc/00/15/84/540001584.db2.gz QFZCUYSYTLRYAJ-IUCAKERBSA-N 1 0 274.290 2.059 10 0 CEAERO COc1ccc(C)cc1[C@H](C)NC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000252596866 540005733 /nfs/dbraw/zinc/00/57/33/540005733.db2.gz IPTAUZYAAJJSFH-RWMBFGLXSA-N 1 0 276.380 2.179 10 0 CEAERO FC(F)(F)c1nnc(NCC[C@H]2CCC[NH2+]C2)s1 ZINC000160369357 188469018 /nfs/dbraw/zinc/46/90/18/188469018.db2.gz JEHHYWQZVZKZER-SSDOTTSWSA-N 1 0 280.319 2.359 10 0 CEAERO Cn1cc([C@H]2CCC[N@@H+]2Cc2cccc(O)c2)cn1 ZINC000131937203 366102202 /nfs/dbraw/zinc/10/22/02/366102202.db2.gz LXVBTLSPIKAIPW-OAHLLOKOSA-N 1 0 257.337 2.463 10 0 CEAERO CC(C)COc1cccc(NC(=O)C2([NH3+])CCOCC2)c1 ZINC000132148271 366121475 /nfs/dbraw/zinc/12/14/75/366121475.db2.gz HAPHUMFDXLREMF-UHFFFAOYSA-N 1 0 292.379 2.168 10 0 CEAERO CC(C)C[C@@H](C[NH3+])Nc1ccc(C(F)(F)F)nn1 ZINC000132327980 366136471 /nfs/dbraw/zinc/13/64/71/366136471.db2.gz YMOOYUNKEWHEPT-QMMMGPOBSA-N 1 0 262.279 2.281 10 0 CEAERO CCOC(=O)CCCC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000132613308 366157659 /nfs/dbraw/zinc/15/76/59/366157659.db2.gz NVTSAPPDKWBTOT-UONOGXRCSA-N 1 0 269.385 2.363 10 0 CEAERO Cc1nc2ccccc2c(C)c1CC(=O)N1CCC[C@H]([NH3+])C1 ZINC000158064083 540049833 /nfs/dbraw/zinc/04/98/33/540049833.db2.gz SCMNOTUBICQMCO-AWEZNQCLSA-N 1 0 297.402 2.344 10 0 CEAERO Cc1cc(C2=C[C@@H]([NH3+])CN(C(=O)OC(C)(C)C)C2)sn1 ZINC000675078832 540119209 /nfs/dbraw/zinc/11/92/09/540119209.db2.gz UPLQFHHZADYAST-LLVKDONJSA-N 1 0 295.408 2.413 10 0 CEAERO CC[C@H](C)[NH2+][C@@H]1CC(=O)N(Cc2ccc(OC)cc2)C1 ZINC000675070170 540112292 /nfs/dbraw/zinc/11/22/92/540112292.db2.gz QRNSADYRNVSXLT-GXTWGEPZSA-N 1 0 276.380 2.184 10 0 CEAERO Cc1csc(C2=C[C@@H]([NH3+])CN(C(=O)OC(C)(C)C)C2)n1 ZINC000675079410 540119559 /nfs/dbraw/zinc/11/95/59/540119559.db2.gz YPCLEVBBFMLQKH-LLVKDONJSA-N 1 0 295.408 2.413 10 0 CEAERO CCC(=O)N1[C@@H](CC[NH3+])CCC[C@H]1C(F)(F)F ZINC000675073293 540114594 /nfs/dbraw/zinc/11/45/94/540114594.db2.gz MIHFMMMNRGYVBM-BDAKNGLRSA-N 1 0 252.280 2.057 10 0 CEAERO Brc1ccc([C@H]2[NH2+]CCc3nc[nH]c32)s1 ZINC000084198624 540126174 /nfs/dbraw/zinc/12/61/74/540126174.db2.gz TULFNJCIMYCFMV-SNVBAGLBSA-N 1 0 284.182 2.469 10 0 CEAERO [NH3+]CCCCC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000576036341 314235137 /nfs/dbraw/zinc/23/51/37/314235137.db2.gz PRZFOTZSJGWZNN-LLVKDONJSA-N 1 0 267.398 2.326 10 0 CEAERO CCCN(CC)CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000224707768 283173665 /nfs/dbraw/zinc/17/36/65/283173665.db2.gz YEIWAECNNRKZTH-MJBXVCDLSA-N 1 0 254.418 2.121 10 0 CEAERO C[C@H]1C[C@@H]1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000075509300 363468975 /nfs/dbraw/zinc/46/89/75/363468975.db2.gz YJPXMFOHYYOSON-WFASDCNBSA-N 1 0 258.365 2.421 10 0 CEAERO c1nn(Cc2ccccc2)cc1NC1=[NH+]CCCCN1 ZINC000575489282 366291759 /nfs/dbraw/zinc/29/17/59/366291759.db2.gz BCJGXSGUHJBPQU-UHFFFAOYSA-N 1 0 269.352 2.083 10 0 CEAERO [NH3+]C1([C@@H](O)c2sccc2Br)CCC1 ZINC000575497690 366291284 /nfs/dbraw/zinc/29/12/84/366291284.db2.gz JTBBYKMCGKMNII-QMMMGPOBSA-N 1 0 262.172 2.425 10 0 CEAERO [NH3+][C@@]1(Cc2coc(Br)c2)CCSC1 ZINC000575566315 366296297 /nfs/dbraw/zinc/29/62/97/366296297.db2.gz TWPYXZUTEFHVOE-SECBINFHSA-N 1 0 262.172 2.419 10 0 CEAERO C[C@@H]1C[C@]([NH3+])(c2cscc2Br)CO1 ZINC000575566319 366296368 /nfs/dbraw/zinc/29/63/68/366296368.db2.gz UBRMBZIPDINDCE-HZGVNTEJSA-N 1 0 262.172 2.473 10 0 CEAERO [NH3+]C1(CC(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000398091871 538862897 /nfs/dbraw/zinc/86/28/97/538862897.db2.gz OQJIBEHNYPFZQE-DTWKUNHWSA-N 1 0 264.291 2.105 10 0 CEAERO CCN1CCO[C@H](C[NH2+]Cc2ccc(C)c(Cl)c2)C1 ZINC000233519232 538876700 /nfs/dbraw/zinc/87/67/00/538876700.db2.gz CWVGDIDVGLMKEU-CQSZACIVSA-N 1 0 282.815 2.459 10 0 CEAERO C[C@H](COCc1ccccc1)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000390784068 540396920 /nfs/dbraw/zinc/39/69/20/540396920.db2.gz UDVUYTYVZVWBOJ-ZBFHGGJFSA-N 1 0 290.407 2.098 10 0 CEAERO C[C@]1(C(=O)Nc2ccc3ncccc3c2)CCC[NH2+]1 ZINC000079521112 363612243 /nfs/dbraw/zinc/61/22/43/363612243.db2.gz NNWDKXZBJLGYEJ-OAHLLOKOSA-N 1 0 255.321 2.315 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccoc1C(=O)OC ZINC000136074707 366493297 /nfs/dbraw/zinc/49/32/97/366493297.db2.gz JSZVHEXJEPQNCP-UONOGXRCSA-N 1 0 292.379 2.125 10 0 CEAERO Nc1cccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000168468844 540419760 /nfs/dbraw/zinc/41/97/60/540419760.db2.gz XGOQUGVAGLGGII-ZBFHGGJFSA-N 1 0 260.381 2.396 10 0 CEAERO Cc1csc([C@@H](C)[NH2+]C[C@H](O)COC(C)(C)C)n1 ZINC000080314129 363656965 /nfs/dbraw/zinc/65/69/65/363656965.db2.gz BNULEWMJYKCSHP-MNOVXSKESA-N 1 0 272.414 2.278 10 0 CEAERO C[C@](CO)([NH2+]C[C@@H]1CCC[C@H](O)C1)c1ccccc1 ZINC000311828698 540458112 /nfs/dbraw/zinc/45/81/12/540458112.db2.gz OSYCAFPDJHRDMT-VNQPRFMTSA-N 1 0 263.381 2.035 10 0 CEAERO O=C(N[C@@H]1CCCC12CCCCC2)[C@@H]1CC[NH2+]C1 ZINC000312997510 540463823 /nfs/dbraw/zinc/46/38/23/540463823.db2.gz QOVDGNLPXOFYKE-CHWSQXEVSA-N 1 0 250.386 2.215 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCc2ccccc2C1 ZINC000223338017 540534041 /nfs/dbraw/zinc/53/40/41/540534041.db2.gz BETXROSXIRERAN-OWCLPIDISA-N 1 0 272.392 2.035 10 0 CEAERO [NH3+]C[C@@H]1CCCN(c2ccnc(C(F)(F)F)c2)C1 ZINC000261567003 283469162 /nfs/dbraw/zinc/46/91/62/283469162.db2.gz IMLGBKCGHBZSPJ-VIFPVBQESA-N 1 0 259.275 2.276 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc2c(c1)CCC2 ZINC000061883329 283481197 /nfs/dbraw/zinc/48/11/97/283481197.db2.gz PDSSMSAXGANCDR-LSDHHAIUSA-N 1 0 258.365 2.033 10 0 CEAERO C[NH+](C)C[C@H](NC(=O)CC[C@@H]1CCOC1)c1ccccc1 ZINC000176584732 189000817 /nfs/dbraw/zinc/00/08/17/189000817.db2.gz AHWJFVIAXUNFAH-ZBFHGGJFSA-N 1 0 290.407 2.222 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cc1ccc(F)cc1 ZINC000176974371 189017994 /nfs/dbraw/zinc/01/79/94/189017994.db2.gz ULLRQXRRADPUBV-HNNXBMFYSA-N 1 0 278.371 2.311 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccnc(SC)c1 ZINC000176980571 189018609 /nfs/dbraw/zinc/01/86/09/189018609.db2.gz POGAVTMXFXTQMP-ZDUSSCGKSA-N 1 0 293.436 2.360 10 0 CEAERO C[C@@H](c1ccccn1)[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000177136829 189031497 /nfs/dbraw/zinc/03/14/97/189031497.db2.gz KYDKIOVFGVMZSP-HNNXBMFYSA-N 1 0 299.422 2.084 10 0 CEAERO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)cc1 ZINC000177101808 189028794 /nfs/dbraw/zinc/02/87/94/189028794.db2.gz ZVAQKMVLAJREQC-MRXNPFEDSA-N 1 0 299.374 2.334 10 0 CEAERO COc1c(C)cnc(CN2CC[N@@H+]3CCCC[C@@H]3C2)c1C ZINC000177766299 189068148 /nfs/dbraw/zinc/06/81/48/189068148.db2.gz ZBXICFJPSPXFEN-OAHLLOKOSA-N 1 0 289.423 2.377 10 0 CEAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1 ZINC000178305015 189105053 /nfs/dbraw/zinc/10/50/53/189105053.db2.gz LNVHDPCYTDBQTQ-INIZCTEOSA-N 1 0 298.390 2.295 10 0 CEAERO Cn1cccc1[C@H]1CCC[N@@H+]1C[C@H](O)COC(C)(C)C ZINC000178495741 189120857 /nfs/dbraw/zinc/12/08/57/189120857.db2.gz ZNBMKQGEHRGBCE-DZGCQCFKSA-N 1 0 280.412 2.338 10 0 CEAERO CCC[C@H](C(=O)N1CCc2ccc(F)cc21)[NH+](C)C ZINC000178654785 189134701 /nfs/dbraw/zinc/13/47/01/189134701.db2.gz JEEPPDSJGGHGFA-CYBMUJFWSA-N 1 0 264.344 2.445 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1nc(C)sc1C ZINC000178812194 189147641 /nfs/dbraw/zinc/14/76/41/189147641.db2.gz PTBFWHIVIZRWOJ-LBPRGKRZSA-N 1 0 281.425 2.316 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]2CN(c3nc4ccccc4[nH]3)C[C@H]21 ZINC000228551224 283589045 /nfs/dbraw/zinc/58/90/45/283589045.db2.gz UDMYZKJRADVWKY-QJPTWQEYSA-N 1 0 256.353 2.127 10 0 CEAERO Cc1cccc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1Cl ZINC000179098509 189169602 /nfs/dbraw/zinc/16/96/02/189169602.db2.gz LCCCMQZYFVZLQB-LBPRGKRZSA-N 1 0 296.798 2.051 10 0 CEAERO O=C(/C=C/c1ccnc(Cl)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000179225681 189178739 /nfs/dbraw/zinc/17/87/39/189178739.db2.gz JVNSFKVMCFNPRI-OOPCZODUSA-N 1 0 291.782 2.055 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]Cc2cc(C)n[nH]2)c1C ZINC000675893511 540879897 /nfs/dbraw/zinc/87/98/97/540879897.db2.gz NCQBHJSDLFDZMX-JTQLQIEISA-N 1 0 261.373 2.402 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc2nccn21 ZINC000180262124 189247350 /nfs/dbraw/zinc/24/73/50/189247350.db2.gz HDWIOGLLIKQQPU-UONOGXRCSA-N 1 0 270.380 2.003 10 0 CEAERO CCC(CC)n1nc(C)cc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000180335152 189250776 /nfs/dbraw/zinc/25/07/76/189250776.db2.gz QYGITXFYUZFXTM-CQSZACIVSA-N 1 0 292.427 2.329 10 0 CEAERO O[C@H](C[NH2+]C[C@@H](O)c1ccccc1)c1ccccc1 ZINC000002643656 361243536 /nfs/dbraw/zinc/24/35/36/361243536.db2.gz UIYDEVUHHNHTEJ-HZPDHXFCSA-N 1 0 257.333 2.043 10 0 CEAERO O[C@H]1CCC[NH2+][C@H]1C(O)(c1ccccc1)c1ccccc1 ZINC000003622558 361286822 /nfs/dbraw/zinc/28/68/22/361286822.db2.gz XMOKTMYFZDJYQI-DLBZAZTESA-N 1 0 283.371 2.035 10 0 CEAERO C[C@H](CCC(C)(C)C)NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000153834653 366739203 /nfs/dbraw/zinc/73/92/03/366739203.db2.gz GMSPZPDGSSZUQU-ZIAGYGMSSA-N 1 0 299.459 2.173 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(F)nc1 ZINC000182052444 189312970 /nfs/dbraw/zinc/31/29/70/189312970.db2.gz CDIUMPLROLESOD-CHWSQXEVSA-N 1 0 292.358 2.311 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)C2(c3ccccc3F)CC2)C1 ZINC000082287891 363760267 /nfs/dbraw/zinc/76/02/67/363760267.db2.gz OAIKTRDENGERSQ-GFCCVEGCSA-N 1 0 276.355 2.020 10 0 CEAERO C[NH2+][C@H](C)C(=O)Nc1ccc(OC)c(Br)c1 ZINC000083869624 363790547 /nfs/dbraw/zinc/79/05/47/363790547.db2.gz IFROBIPKPQBNRV-SSDOTTSWSA-N 1 0 287.157 2.004 10 0 CEAERO Cc1noc(C)c1[C@H](C)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000153993290 366750510 /nfs/dbraw/zinc/75/05/10/366750510.db2.gz GMNGGBLFXGPIFY-SMDDNHRTSA-N 1 0 295.427 2.487 10 0 CEAERO C[N@@H+]1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(C(N)=O)cc13 ZINC000013532341 361430960 /nfs/dbraw/zinc/43/09/60/361430960.db2.gz KTMWGCFRTKWYQF-YXJHDRRASA-N 1 0 284.403 2.474 10 0 CEAERO Nc1nc(N)c(NCc2cccc3ccccc32)c[nH+]1 ZINC000013532452 361431519 /nfs/dbraw/zinc/43/15/19/361431519.db2.gz WYFMWZHKVDIVCN-UHFFFAOYSA-N 1 0 265.320 2.406 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](c2nc(Cc3ccc(Cl)cc3)no2)C1 ZINC000021799932 361584573 /nfs/dbraw/zinc/58/45/73/361584573.db2.gz PDFNKCRRYFOPKM-VXGBXAGGSA-N 1 0 293.754 2.363 10 0 CEAERO CC(C)[NH2+]C[C@@H](O)COC(=O)c1cccc2ccccc21 ZINC000025969227 361634665 /nfs/dbraw/zinc/63/46/65/361634665.db2.gz ZZSBGFQPTJBSCP-CQSZACIVSA-N 1 0 287.359 2.356 10 0 CEAERO COc1ccc2c3c1cccc3C(=O)N(CC[NH+](C)C)C2=O ZINC000028228118 361669345 /nfs/dbraw/zinc/66/93/45/361669345.db2.gz IRFXATKWSGJHHN-UHFFFAOYSA-N 1 0 298.342 2.006 10 0 CEAERO CC1(C)[C@H]([NH2+]CC2(O)CCSCC2)[C@@H]2CCCO[C@@H]21 ZINC000678925132 541191751 /nfs/dbraw/zinc/19/17/51/541191751.db2.gz LCWYDIFBXMNBAP-XQQFMLRXSA-N 1 0 285.453 2.038 10 0 CEAERO Cc1[nH+]c2ccccc2c(NC[C@@H]2CN3CCN2CC3)c1C ZINC000302098759 201341545 /nfs/dbraw/zinc/34/15/45/201341545.db2.gz UDQHZHRNPWVZCM-OAHLLOKOSA-N 1 0 296.418 2.263 10 0 CEAERO OCc1cc2ccccc2nc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000084219509 363802925 /nfs/dbraw/zinc/80/29/25/363802925.db2.gz MPDGTXIRTVJJLI-OAHLLOKOSA-N 1 0 283.375 2.012 10 0 CEAERO CC(C)[C@H]([NH3+])[C@@H](O)c1ccc(Br)cc1 ZINC000032110487 361728317 /nfs/dbraw/zinc/72/83/17/361728317.db2.gz HBRKNWJVJLWSDD-QWRGUYRKSA-N 1 0 258.159 2.466 10 0 CEAERO c1ccc(OCCCN2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000088077795 363876851 /nfs/dbraw/zinc/87/68/51/363876851.db2.gz RFBXGTFWQAICNW-OAHLLOKOSA-N 1 0 260.381 2.236 10 0 CEAERO Cc1cc(C[NH2+][C@H]2CCOc3ccccc32)n(C)n1 ZINC000089183770 363947073 /nfs/dbraw/zinc/94/70/73/363947073.db2.gz MVEUCXWEMGALDY-AWEZNQCLSA-N 1 0 257.337 2.342 10 0 CEAERO CCCc1nsc(N[C@H]2CCCC[C@H]2C[NH3+])n1 ZINC000089108668 363932218 /nfs/dbraw/zinc/93/22/18/363932218.db2.gz ZMRUFEBTRNTHHN-UWVGGRQHSA-N 1 0 254.403 2.420 10 0 CEAERO C[C@@H]1CN(C(=O)c2cccc3cc[nH]c32)C[C@@H]1[NH+](C)C ZINC000089710324 363995021 /nfs/dbraw/zinc/99/50/21/363995021.db2.gz YXINFHKXGAJIIM-RISCZKNCSA-N 1 0 271.364 2.190 10 0 CEAERO CCn1cncc1CN[C@H](C[NH+](C)C)c1ccccc1 ZINC000090169964 364044399 /nfs/dbraw/zinc/04/43/99/364044399.db2.gz HCFLLTJFHKPFLR-MRXNPFEDSA-N 1 0 272.396 2.296 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cccc(Cl)n1 ZINC000092627437 364090041 /nfs/dbraw/zinc/09/00/41/364090041.db2.gz PRDDTHYFUILKQG-LLVKDONJSA-N 1 0 281.787 2.291 10 0 CEAERO Cc1nc(C[C@H]2CCC[N@H+](Cc3ccco3)C2)no1 ZINC000092814146 364110737 /nfs/dbraw/zinc/11/07/37/364110737.db2.gz ZXFYTGRVJZICNZ-GFCCVEGCSA-N 1 0 261.325 2.426 10 0 CEAERO CSc1ccc(CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000237320406 370710506 /nfs/dbraw/zinc/71/05/06/370710506.db2.gz UEAQNLHRQNRUDV-VXGBXAGGSA-N 1 0 264.394 2.152 10 0 CEAERO Cc1c(CN[C@H](C[NH+](C)C)c2ccccc2)cnn1C ZINC000093649300 364209056 /nfs/dbraw/zinc/20/90/56/364209056.db2.gz KCAODSDFJXLTEL-MRXNPFEDSA-N 1 0 272.396 2.121 10 0 CEAERO CCc1cc2c(ncnc2N2CC[C@@H]([NH3+])[C@H](C)C2)s1 ZINC000094342547 364269198 /nfs/dbraw/zinc/26/91/98/364269198.db2.gz ITEHECBAIXIKJK-BXKDBHETSA-N 1 0 276.409 2.427 10 0 CEAERO Cc1cc(Cl)nc(OCCC2CC[NH2+]CC2)n1 ZINC000095068958 364329809 /nfs/dbraw/zinc/32/98/09/364329809.db2.gz HVZZDBIJCKOYFY-UHFFFAOYSA-N 1 0 255.749 2.207 10 0 CEAERO Clc1nc2ccccc2nc1NC[C@H]1CCC[NH2+]1 ZINC000095070461 364331026 /nfs/dbraw/zinc/33/10/26/364331026.db2.gz FDKJCPZZEZDEFK-SECBINFHSA-N 1 0 262.744 2.447 10 0 CEAERO C[NH2+][C@H](CCO)[C@H]1CCCCN1Cc1ccccc1 ZINC000095075707 364333573 /nfs/dbraw/zinc/33/35/73/364333573.db2.gz ABIPJBCGWZQDKB-HZPDHXFCSA-N 1 0 262.397 2.012 10 0 CEAERO Cc1ccc([C@H](C)[NH2+]CCN2CCOCC2)cc1F ZINC000094836570 364301414 /nfs/dbraw/zinc/30/14/14/364301414.db2.gz CAEMJGBFQIVAJZ-ZDUSSCGKSA-N 1 0 266.360 2.117 10 0 CEAERO COc1ccc(F)c(NC(=O)C[C@H]2CCC[NH2+]C2)c1 ZINC000094854971 364303337 /nfs/dbraw/zinc/30/33/37/364303337.db2.gz SWMALDANIUCGRL-SNVBAGLBSA-N 1 0 266.316 2.163 10 0 CEAERO COc1ccc(Cc2noc([C@H]3CC[C@@H]([NH3+])C3)n2)cc1 ZINC000097068003 364439091 /nfs/dbraw/zinc/43/90/91/364439091.db2.gz ZYZTYEVPCQZAFE-NWDGAFQWSA-N 1 0 273.336 2.264 10 0 CEAERO CCc1cc2c(ncnc2NC[C@@H]([NH3+])CC)s1 ZINC000104210956 364687156 /nfs/dbraw/zinc/68/71/56/364687156.db2.gz QJTZOECOOKJJLN-QMMMGPOBSA-N 1 0 250.371 2.403 10 0 CEAERO CC[NH+](CC)Cc1ccc(CNC(=O)[C@H](C)COC)cc1 ZINC000103428331 364652314 /nfs/dbraw/zinc/65/23/14/364652314.db2.gz ZJFABVYXHJTKPZ-CQSZACIVSA-N 1 0 292.423 2.427 10 0 CEAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)C(C)C ZINC000111442259 364738225 /nfs/dbraw/zinc/73/82/25/364738225.db2.gz PFBAIEASUDBECT-QWHCGFSZSA-N 1 0 255.406 2.205 10 0 CEAERO Cc1cccc(CCN2CC[N@@H+]3CCCC[C@@H]3C2)n1 ZINC000335462815 364765846 /nfs/dbraw/zinc/76/58/46/364765846.db2.gz OCZXQMCKRIAOPE-MRXNPFEDSA-N 1 0 259.397 2.103 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(SC)o2)C1 ZINC000112293546 364786407 /nfs/dbraw/zinc/78/64/07/364786407.db2.gz UTDBZINFAYUHBJ-JTQLQIEISA-N 1 0 268.382 2.216 10 0 CEAERO CC[C@@H]1C[N@H+](CCC(C)(C)C)CCN1CCOC ZINC000112697827 364830393 /nfs/dbraw/zinc/83/03/93/364830393.db2.gz OZMNPHFLHKFGJQ-CQSZACIVSA-N 1 0 256.434 2.465 10 0 CEAERO Cc1cccc(CC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000113228508 364877298 /nfs/dbraw/zinc/87/72/98/364877298.db2.gz NGDALTCOUHZHIW-GOEBONIOSA-N 1 0 272.392 2.233 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COC1CCCCC1 ZINC000113227292 364877426 /nfs/dbraw/zinc/87/74/26/364877426.db2.gz FPAPYZVHWFKKIT-UONOGXRCSA-N 1 0 280.412 2.031 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@H](O)c1c(F)cccc1F ZINC000113270813 364882578 /nfs/dbraw/zinc/88/25/78/364882578.db2.gz OZNIUNVGGGMGDY-JMSVASOKSA-N 1 0 296.361 2.167 10 0 CEAERO CC(=O)c1ccc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1 ZINC000113444756 364895104 /nfs/dbraw/zinc/89/51/04/364895104.db2.gz QBUKMMNVDSEHRL-MLGOLLRUSA-N 1 0 286.375 2.198 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(C)Cc1cccs1 ZINC000335593340 212306005 /nfs/dbraw/zinc/30/60/05/212306005.db2.gz DCOABMQZXZGJNN-CMPLNLGQSA-N 1 0 252.383 2.095 10 0 CEAERO [NH3+]C[C@H]1CC[C@H](Nc2ncccc2Br)C1 ZINC000335577346 212289105 /nfs/dbraw/zinc/28/91/05/212289105.db2.gz CJDHJICFHHFGKJ-IUCAKERBSA-N 1 0 270.174 2.383 10 0 CEAERO Cn1cc([C@H]2CC[N@H+](C[C@H](O)c3ccccc3F)C2)cn1 ZINC000116321100 365051344 /nfs/dbraw/zinc/05/13/44/365051344.db2.gz RVDQNKUJIKRDSJ-LRDDRELGSA-N 1 0 289.354 2.082 10 0 CEAERO Cc1ccc2nc(C[N@H+]3CC[C@H](c4cnn(C)c4)C3)cn2c1 ZINC000116408094 365055059 /nfs/dbraw/zinc/05/50/59/365055059.db2.gz JBTYWWMMVAQBJA-AWEZNQCLSA-N 1 0 295.390 2.366 10 0 CEAERO Cc1cccc(C)c1NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000118793330 365180215 /nfs/dbraw/zinc/18/02/15/365180215.db2.gz KUJSFUFXVOXVQC-CQSZACIVSA-N 1 0 291.395 2.098 10 0 CEAERO c1cnn(C[C@@H]2C[N@H+](CCC3CCCC3)CCO2)c1 ZINC000119258275 365244026 /nfs/dbraw/zinc/24/40/26/365244026.db2.gz OTSMMADJTUIDMY-HNNXBMFYSA-N 1 0 263.385 2.164 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2cc(F)c(F)c(F)c2)C1 ZINC000119345898 365257926 /nfs/dbraw/zinc/25/79/26/365257926.db2.gz QNPZJXRFTVEGSH-VIFPVBQESA-N 1 0 287.285 2.272 10 0 CEAERO CCOCCN1CCN(c2nc(C(C)C)no2)C[C@@H]1CC ZINC000119886390 365339752 /nfs/dbraw/zinc/33/97/52/365339752.db2.gz AYXBNDNSJMKOAW-ZDUSSCGKSA-N 1 0 296.415 2.130 10 0 CEAERO CC[C@@H](C)C[N@@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000120386097 365416977 /nfs/dbraw/zinc/41/69/77/365416977.db2.gz ZPTVUQIKIAZAST-CYBMUJFWSA-N 1 0 262.401 2.343 10 0 CEAERO CCC[C@H](C(=O)NCC1(C2CC2)CCC1)[NH+](C)C ZINC000120309566 365405055 /nfs/dbraw/zinc/40/50/55/365405055.db2.gz VNPFUASUCLYWCJ-CYBMUJFWSA-N 1 0 252.402 2.413 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nc(CC(C)C)no1 ZINC000245428783 370818103 /nfs/dbraw/zinc/81/81/03/370818103.db2.gz MTANWNIFXMNJMA-KBPBESRZSA-N 1 0 292.427 2.327 10 0 CEAERO COCCC1(CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)CCCC1 ZINC000161980242 367126198 /nfs/dbraw/zinc/12/61/98/367126198.db2.gz KECPDQQNVXNJMR-KBPBESRZSA-N 1 0 282.428 2.217 10 0 CEAERO O=C([C@@H]1CCn2ccnc2C1)N1CCC[C@@H]1c1ccco1 ZINC000161705223 367107716 /nfs/dbraw/zinc/10/77/16/367107716.db2.gz VHGJDPLNIJXBES-CHWSQXEVSA-N 1 0 285.347 2.402 10 0 CEAERO OC[C@@H]1[NH2+]CC[C@]12c1ccccc1N[C@H]2c1ccccc1 ZINC000584643336 367174618 /nfs/dbraw/zinc/17/46/18/367174618.db2.gz PIJJKUWTSBAZKU-BZSNNMDCSA-N 1 0 280.371 2.445 10 0 CEAERO C[C@@H]1CN(C(=O)c2cc(Cl)ccc2F)C[C@@H]1C[NH3+] ZINC000638885604 370819153 /nfs/dbraw/zinc/81/91/53/370819153.db2.gz CQTGWWJAZGKXIW-BDAKNGLRSA-N 1 0 270.735 2.146 10 0 CEAERO C[C@H]1CN(C(=O)c2cccn2Cc2ccccc2)C[C@H]1C[NH3+] ZINC000638885315 370819557 /nfs/dbraw/zinc/81/95/57/370819557.db2.gz BSVPLQOTAKFFKH-GOEBONIOSA-N 1 0 297.402 2.203 10 0 CEAERO C[C@@H]1CN(C(=O)CCOc2cccc(Cl)c2)C[C@H]1C[NH3+] ZINC000638889175 370822968 /nfs/dbraw/zinc/82/29/68/370822968.db2.gz KEXQBHDPUMYAAQ-VXGBXAGGSA-N 1 0 296.798 2.162 10 0 CEAERO CCC[C@@H](C(=O)NCCOCc1ccccc1)[NH+](C)C ZINC000162394397 367157467 /nfs/dbraw/zinc/15/74/67/367157467.db2.gz AQPZFAVVXYOSEM-HNNXBMFYSA-N 1 0 278.396 2.050 10 0 CEAERO Cc1scc(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)c1C ZINC000638901755 370830690 /nfs/dbraw/zinc/83/06/90/370830690.db2.gz WOVOCPSGOTYYSZ-KWQFWETISA-N 1 0 252.383 2.032 10 0 CEAERO Cc1cc(F)ccc1CN1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000245693291 370858433 /nfs/dbraw/zinc/85/84/33/370858433.db2.gz BTKXFLLTVWLNJN-KBPBESRZSA-N 1 0 280.387 2.021 10 0 CEAERO CC[C@@H](CSC)[N@H+](C)C[C@@H](O)COC(C)(C)C ZINC000245581047 370844604 /nfs/dbraw/zinc/84/46/04/370844604.db2.gz HEZOANIWAQPXOZ-NWDGAFQWSA-N 1 0 263.447 2.236 10 0 CEAERO CCCN(C(=O)[C@H]1C[C@@]1(C)CC)C1CC[NH2+]CC1 ZINC000163311141 367230147 /nfs/dbraw/zinc/23/01/47/367230147.db2.gz LZZJXQXFGKUYDP-UKRRQHHQSA-N 1 0 252.402 2.413 10 0 CEAERO Cc1nn(C)c(Cl)c1C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000164441480 367287081 /nfs/dbraw/zinc/28/70/81/367287081.db2.gz BEHICYMQYKCYQJ-KOLCDFICSA-N 1 0 257.765 2.039 10 0 CEAERO C[C@@H](Cc1ccccc1F)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170833330 367428454 /nfs/dbraw/zinc/42/84/54/367428454.db2.gz GMUQUNRFSJATGL-GXTWGEPZSA-N 1 0 293.386 2.102 10 0 CEAERO C[C@@H]1CCC[C@H](CNC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000170833692 367428224 /nfs/dbraw/zinc/42/82/24/367428224.db2.gz AARAHJQYKIFCQD-RDBSUJKOSA-N 1 0 267.417 2.158 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2cc(F)ccc2F)C1 ZINC000171069261 367470094 /nfs/dbraw/zinc/47/00/94/367470094.db2.gz KMGGIGUOQVYCKZ-SNVBAGLBSA-N 1 0 269.295 2.133 10 0 CEAERO CCOc1ccc(NC(=O)N2CC[C@H]([NH+](C)C)C2)cc1F ZINC000171080150 367473788 /nfs/dbraw/zinc/47/37/88/367473788.db2.gz NRTYKCCJGBOZST-LBPRGKRZSA-N 1 0 295.358 2.392 10 0 CEAERO C[C@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)c1cccs1 ZINC000170863211 367433720 /nfs/dbraw/zinc/43/37/20/367433720.db2.gz LVSGNRJNXGVXQJ-WDEREUQCSA-N 1 0 267.398 2.155 10 0 CEAERO C[C@H]1CN(Cc2ccccc2Br)C[C@@H]1C[NH3+] ZINC000631844583 367584944 /nfs/dbraw/zinc/58/49/44/367584944.db2.gz YKQVHQXFJLIPCL-JQWIXIFHSA-N 1 0 283.213 2.476 10 0 CEAERO Cc1ccc(NC(=O)CN2C[C@H](C)[C@H](C[NH3+])C2)cc1Cl ZINC000631843312 367585684 /nfs/dbraw/zinc/58/56/84/367585684.db2.gz MDXHFQHNBKVGIU-NWDGAFQWSA-N 1 0 295.814 2.114 10 0 CEAERO CC(C)c1ccc(S(=O)(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000631968845 367629183 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376717875 /nfs/dbraw/zinc/71/78/75/376717875.db2.gz LVIGSWVKKLOODS-AWEZNQCLSA-N 1 0 269.348 2.188 10 0 CEAERO CC(C)C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Cc1ccccc1 ZINC000616571141 542160824 /nfs/dbraw/zinc/16/08/24/542160824.db2.gz PJPUAIIUHAHASH-JKSUJKDBSA-N 1 0 274.408 2.370 10 0 CEAERO O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000564667608 377430978 /nfs/dbraw/zinc/43/09/78/377430978.db2.gz NLAADYVXRAQIBX-JARUQAPTSA-N 1 0 265.397 2.227 10 0 CEAERO Cc1ccsc1CN(C)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000089744334 249308179 /nfs/dbraw/zinc/30/81/79/249308179.db2.gz HYHGUWOYHKUCLA-NSHDSACASA-N 1 0 252.383 2.015 10 0 CEAERO Cc1ccccc1[C@H](C)NC(=O)c1ccnc(C[NH3+])c1 ZINC000130192364 249315296 /nfs/dbraw/zinc/31/52/96/249315296.db2.gz QWPBRLCICKBSQD-LBPRGKRZSA-N 1 0 269.348 2.340 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCOCC1CCCC1 ZINC000313718062 249398971 /nfs/dbraw/zinc/39/89/71/249398971.db2.gz OCIJMQRSQLCODE-HOCLYGCPSA-N 1 0 266.429 2.362 10 0 CEAERO C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H](O)C(C)(C)C ZINC000293662743 377684848 /nfs/dbraw/zinc/68/48/48/377684848.db2.gz PSMPRHZJVIRXAZ-RISCZKNCSA-N 1 0 251.370 2.320 10 0 CEAERO CC(C)[C@@H]1C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)CCO1 ZINC000346159580 217821217 /nfs/dbraw/zinc/82/12/17/217821217.db2.gz HSULFTBHZSYMQM-OUAUKWLOSA-N 1 0 269.307 2.093 10 0 CEAERO COc1nccc(C[NH2+][C@H](C)COCc2ccccc2)n1 ZINC000295871431 378338781 /nfs/dbraw/zinc/33/87/81/378338781.db2.gz XIJSYSJNPGPQPG-CYBMUJFWSA-N 1 0 287.363 2.180 10 0 CEAERO CCc1nn(C)cc1C[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000180052875 542260332 /nfs/dbraw/zinc/26/03/32/542260332.db2.gz KICKIOFSFFYLRB-OAHLLOKOSA-N 1 0 273.384 2.053 10 0 CEAERO O=C(CCC(F)(F)F)Nc1nc2c(s1)C[NH2+]CC2 ZINC000088834018 295470555 /nfs/dbraw/zinc/47/05/55/295470555.db2.gz WZIDLSBNCSYLIC-UHFFFAOYSA-N 1 0 279.287 2.070 10 0 CEAERO COc1ccc([C@@H]2C[C@@H](C)N(C(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000299741887 379125845 /nfs/dbraw/zinc/12/58/45/379125845.db2.gz HNQPTGPSDHTDCE-XNRPHZJLSA-N 1 0 288.391 2.152 10 0 CEAERO Cc1cc(C)cc(OCCCN2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000300084614 379151377 /nfs/dbraw/zinc/15/13/77/379151377.db2.gz IKQIJRPFEXQMTM-GOEBONIOSA-N 1 0 262.397 2.351 10 0 CEAERO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H](C)C(C)C)C1 ZINC000174745822 284779547 /nfs/dbraw/zinc/77/95/47/284779547.db2.gz BWODAHYCTFYYGB-CHWSQXEVSA-N 1 0 255.406 2.157 10 0 CEAERO CO[C@@H](C)c1nsc(N[C@@H](C[NH3+])CC(C)C)n1 ZINC000302386939 379365441 /nfs/dbraw/zinc/36/54/41/379365441.db2.gz FKFYRSZABMQSSI-DTWKUNHWSA-N 1 0 258.391 2.031 10 0 CEAERO Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H](O)C(C)(C)C)o1 ZINC000304013808 379511630 /nfs/dbraw/zinc/51/16/30/379511630.db2.gz CCPUKOWTGNAUBY-ZDUSSCGKSA-N 1 0 277.368 2.475 10 0 CEAERO CN(C)C[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000305167800 379668261 /nfs/dbraw/zinc/66/82/61/379668261.db2.gz YXKJXUYIBRHYOU-RDBSUJKOSA-N 1 0 256.434 2.103 10 0 CEAERO CCCCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)N2CCOCC2)C1(C)C ZINC000181438430 542273458 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CC1(C)Cc2nc(N3CCCOCC3)sc2[C@@H]([NH3+])C1 ZINC000061936841 184567920 /nfs/dbraw/zinc/56/79/20/184567920.db2.gz YPABJQBZIRWLCL-JTQLQIEISA-N 1 0 281.425 2.342 10 0 CEAERO C[NH2+][C@H](c1ccc(OC)cc1)[C@@H](C)Sc1nc[nH]n1 ZINC000081850818 184597388 /nfs/dbraw/zinc/59/73/88/184597388.db2.gz USAXUSQMGNRTTQ-SKDRFNHKSA-N 1 0 278.381 2.255 10 0 CEAERO C[NH2+][C@H](C)CSc1nnc(C2CC2)n1C1CC1 ZINC000081857296 184598064 /nfs/dbraw/zinc/59/80/64/184598064.db2.gz OFSRPGOIQSLWQM-MRVPVSSYSA-N 1 0 252.387 2.190 10 0 CEAERO C[NH2+][C@@H]1CCOC[C@@H]1Sc1nc2ccccc2[nH]1 ZINC000081862644 184598135 /nfs/dbraw/zinc/59/81/35/184598135.db2.gz OGURFPAYNNNUON-NEPJUHHUSA-N 1 0 263.366 2.032 10 0 CEAERO COc1cccc(CO[C@]2(C[NH3+])CC[C@@H](C)C2)n1 ZINC000086723394 184610270 /nfs/dbraw/zinc/61/02/70/184610270.db2.gz ZNHWQTQQZJLJFC-BXUZGUMPSA-N 1 0 250.342 2.124 10 0 CEAERO CC(C)n1ccc(CO[C@]2(C[NH3+])CC[C@H](C)C2)n1 ZINC000086723182 184610649 /nfs/dbraw/zinc/61/06/49/184610649.db2.gz HETKEHTXNKNMRW-GXTWGEPZSA-N 1 0 251.374 2.498 10 0 CEAERO CC(C)CNC(=O)[C@@H](C)OC1(C[NH3+])CCC(C)(C)CC1 ZINC000086711898 184610704 /nfs/dbraw/zinc/61/07/04/184610704.db2.gz IYIYFTMISFWJGP-CYBMUJFWSA-N 1 0 284.444 2.461 10 0 CEAERO C[C@H](OC1(C[NH3+])CCCCCC1)C(=O)N1CCCCC1 ZINC000086724750 184610787 /nfs/dbraw/zinc/61/07/87/184610787.db2.gz HFBPODYFRGDXOS-AWEZNQCLSA-N 1 0 282.428 2.456 10 0 CEAERO CC(C)[NH2+]Cc1cc(S(=O)(=O)N2CCCC2)cs1 ZINC000088905603 184613938 /nfs/dbraw/zinc/61/39/38/184613938.db2.gz FOVHLJJYFAYPTO-UHFFFAOYSA-N 1 0 288.438 2.031 10 0 CEAERO CCC[C@H](C)N(C)S(=O)(=O)c1ccc(CC[NH2+]C)cc1 ZINC000088964357 184615862 /nfs/dbraw/zinc/61/58/62/184615862.db2.gz COGFQEFGMRGYSG-ZDUSSCGKSA-N 1 0 298.452 2.258 10 0 CEAERO CCC[NH2+]C[C@@](C)(O)COc1ccc(C)c(C)c1 ZINC000090822835 184618373 /nfs/dbraw/zinc/61/83/73/184618373.db2.gz HXGFXOXESRSRNJ-OAHLLOKOSA-N 1 0 251.370 2.433 10 0 CEAERO CC1(C)C(C[NH2+]C[C@H](O)COCC2CC2)C1(C)C ZINC000092816418 184628258 /nfs/dbraw/zinc/62/82/58/184628258.db2.gz OAVJKWXDPAQDAE-LBPRGKRZSA-N 1 0 255.402 2.046 10 0 CEAERO COc1ccc2c(c1)[C@@H](N)[C@@H]([NH+]1CCCCCC1)C2 ZINC000092838522 184631046 /nfs/dbraw/zinc/63/10/46/184631046.db2.gz QADGLDOVAKDXEF-JKSUJKDBSA-N 1 0 260.381 2.496 10 0 CEAERO FC(F)(F)c1cccc(Cc2noc(C3C[NH2+]C3)n2)c1 ZINC000092699797 184621185 /nfs/dbraw/zinc/62/11/85/184621185.db2.gz LSXISWCEQKQKSL-UHFFFAOYSA-N 1 0 283.253 2.366 10 0 CEAERO C[NH2+]C[C@H]1CCCO[C@H]1c1c(OC)cc(OC)cc1OC ZINC000092883170 184633381 /nfs/dbraw/zinc/63/33/81/184633381.db2.gz XOHSRBXQJJZUPA-BDJLRTHQSA-N 1 0 295.379 2.400 10 0 CEAERO COCC[NH2+]C[C@H]1CCCO[C@H]1c1ccccc1OC ZINC000092888447 184633404 /nfs/dbraw/zinc/63/34/04/184633404.db2.gz FKOXKBRVBUPBTH-CZUORRHYSA-N 1 0 279.380 2.399 10 0 CEAERO C[NH2+]C[C@@H]1CCCO[C@H]1c1cc(OC)c(OC)cc1OC ZINC000092882877 184633653 /nfs/dbraw/zinc/63/36/53/184633653.db2.gz YZAHYYMUCJFCIA-MEDUHNTESA-N 1 0 295.379 2.400 10 0 CEAERO COCC[NH2+]C[C@H]1CCO[C@@H]1c1cccc(COC)c1 ZINC000092882383 184633718 /nfs/dbraw/zinc/63/37/18/184633718.db2.gz MCXLLTMCASOPMB-HZPDHXFCSA-N 1 0 279.380 2.147 10 0 CEAERO Cc1ccc(C2C(=O)N=C([C@@H]([NH3+])C(C)(C)C)NC2=O)cc1 ZINC000093146192 184651478 /nfs/dbraw/zinc/65/14/78/184651478.db2.gz YUTZVIPPTOUVMM-GFCCVEGCSA-N 1 0 287.363 2.497 10 0 CEAERO CCOc1ccccc1-c1nn(C)cc1C[NH2+]CCOC ZINC000093297526 184661111 /nfs/dbraw/zinc/66/11/11/184661111.db2.gz GUSCLZQJHTYVQI-UHFFFAOYSA-N 1 0 289.379 2.222 10 0 CEAERO C[C@@H]1CN(C(=O)c2cccc3[nH]ccc32)C[C@@H]1[NH+](C)C ZINC000093295300 184661282 /nfs/dbraw/zinc/66/12/82/184661282.db2.gz IEUQRSJCWUNZKC-ABAIWWIYSA-N 1 0 271.364 2.190 10 0 CEAERO Cn1cc(C[NH3+])c(-c2ccccc2OC(F)(F)F)n1 ZINC000093296810 184661406 /nfs/dbraw/zinc/66/14/06/184661406.db2.gz ODENBOYJTWTUKU-UHFFFAOYSA-N 1 0 271.242 2.444 10 0 CEAERO [NH3+][C@@H]1CCC[C@H](Oc2cc3ccccc3c(=O)[nH]2)C1 ZINC000093220188 184656672 /nfs/dbraw/zinc/65/66/72/184656672.db2.gz NZCNKLDGBNFJNI-NEPJUHHUSA-N 1 0 258.321 2.177 10 0 CEAERO CC[C@H](C)CN(CC)S(=O)(=O)[C@@H](C)C[NH2+]C(C)C ZINC000093265903 184659328 /nfs/dbraw/zinc/65/93/28/184659328.db2.gz YDJWZFFZZSRFNJ-STQMWFEESA-N 1 0 278.462 2.071 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(C)ccn1 ZINC000392906225 542375190 /nfs/dbraw/zinc/37/51/90/542375190.db2.gz UVHNNPRNXDEELW-JKSUJKDBSA-N 1 0 259.397 2.449 10 0 CEAERO CC1(C)Cc2cccc([C@H]3CNC(=[NH2+])N3C3CC3)c2O1 ZINC000093373636 184667995 /nfs/dbraw/zinc/66/79/95/184667995.db2.gz MXXLVHKMMHHTFU-CYBMUJFWSA-N 1 0 271.364 2.234 10 0 CEAERO NC1=[NH+]C[C@]2(CCCOCC2)N1c1ccc(Cl)cc1 ZINC000093390436 184670247 /nfs/dbraw/zinc/67/02/47/184670247.db2.gz ZGAHNJAUACFMPN-CQSZACIVSA-N 1 0 279.771 2.414 10 0 CEAERO [NH2+]=C1NC[C@]2(CCCc3ccccc32)N1CC1CC1 ZINC000093393555 184670758 /nfs/dbraw/zinc/67/07/58/184670758.db2.gz LFVVHKVEPUQBIY-INIZCTEOSA-N 1 0 255.365 2.259 10 0 CEAERO CO[C@H]1CCC[C@@H](OC(=O)C2CCC(C[NH3+])CC2)C1 ZINC000093430801 184674279 /nfs/dbraw/zinc/67/42/79/184674279.db2.gz FHMISUWCUMEZHA-CLRIEMFWSA-N 1 0 269.385 2.252 10 0 CEAERO CC[NH2+][C@@H](C)CCS(=O)(=O)c1cc(F)ccc1F ZINC000081946167 177906993 /nfs/dbraw/zinc/90/69/93/177906993.db2.gz PYUVXXKQMMWUCB-VIFPVBQESA-N 1 0 277.336 2.127 10 0 CEAERO CC[C@H](C)S(=O)(=O)[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+] ZINC000081936681 177903031 /nfs/dbraw/zinc/90/30/31/177903031.db2.gz JQSLEYWWPMRWND-QNWHQSFQSA-N 1 0 261.431 2.352 10 0 CEAERO CCC[NH2+][C@@H]1CCCC[C@@H]1S(=O)(=O)CC(C)C ZINC000081928975 177900212 /nfs/dbraw/zinc/90/02/12/177900212.db2.gz HQLDRCAQBZEYBK-OLZOCXBDSA-N 1 0 261.431 2.368 10 0 CEAERO C[NH2+][C@H](CS(=O)(=O)c1cccs1)C(C)(C)C ZINC000081926622 177899203 /nfs/dbraw/zinc/89/92/03/177899203.db2.gz NGZZTBFKSLFMAR-SECBINFHSA-N 1 0 261.412 2.156 10 0 CEAERO Cc1ccc(C)c(S(=O)(=O)CCC[NH2+]C2CC2)c1 ZINC000081922260 177895381 /nfs/dbraw/zinc/89/53/81/177895381.db2.gz APUAMYSRYHGRLY-UHFFFAOYSA-N 1 0 267.394 2.219 10 0 CEAERO CS(=O)(=O)c1ccc(S[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000081892209 177879354 /nfs/dbraw/zinc/87/93/54/177879354.db2.gz HNWKKNFWKVGAFV-RYUDHWBXSA-N 1 0 271.407 2.062 10 0 CEAERO CS(=O)(=O)c1ccc(S[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000081892208 177879382 /nfs/dbraw/zinc/87/93/82/177879382.db2.gz HNWKKNFWKVGAFV-NWDGAFQWSA-N 1 0 271.407 2.062 10 0 CEAERO C[C@@H]1CC[C@@H]([NH3+])[C@H](Sc2nnc3ccccn32)C1 ZINC000081881080 177875392 /nfs/dbraw/zinc/87/53/92/177875392.db2.gz ZPZIQBKYESPGMV-GMTAPVOTSA-N 1 0 262.382 2.337 10 0 CEAERO CCC[C@@H]([NH3+])[C@@H](CC)Sc1n[nH]c(=O)n1C(C)C ZINC000081879494 177873351 /nfs/dbraw/zinc/87/33/51/177873351.db2.gz GOZUSAGJPUIXMW-NXEZZACHSA-N 1 0 272.418 2.150 10 0 CEAERO Cc1ccc([C@@H]([NH3+])[C@H](C)Sc2nnnn2C2CC2)cc1 ZINC000081867743 177867960 /nfs/dbraw/zinc/86/79/60/177867960.db2.gz MGVYKMISDNOGEL-GWCFXTLKSA-N 1 0 289.408 2.497 10 0 CEAERO CCCOc1cc(C)ccc1NC(=O)CC1C[NH2+]C1 ZINC000081749316 177853069 /nfs/dbraw/zinc/85/30/69/177853069.db2.gz AREGERGSQYNOSE-UHFFFAOYSA-N 1 0 262.353 2.332 10 0 CEAERO COCC[NH2+]CCCCOc1cncc(Cl)c1 ZINC000081703007 177841335 /nfs/dbraw/zinc/84/13/35/177841335.db2.gz NZDKUUQFDFVISQ-UHFFFAOYSA-N 1 0 258.749 2.130 10 0 CEAERO CCC[NH2+]Cc1sc(N2CC[C@@H](COC)C2)nc1C ZINC000081160632 177778656 /nfs/dbraw/zinc/77/86/56/177778656.db2.gz VEBJVGKFKSNNMW-GFCCVEGCSA-N 1 0 283.441 2.424 10 0 CEAERO O=C([C@@H]1CCCCC[NH2+]1)N(CC(F)(F)F)C1CC1 ZINC000080999267 177752950 /nfs/dbraw/zinc/75/29/50/177752950.db2.gz CWTOHDVQXSAGGW-JTQLQIEISA-N 1 0 264.291 2.072 10 0 CEAERO CC[C@](C)(CO)NC(=O)CC[C@@H](CC[NH3+])C(C)(C)C ZINC000080886138 177723286 /nfs/dbraw/zinc/72/32/86/177723286.db2.gz GBSTZJAJGIXURK-SWLSCSKDSA-N 1 0 272.433 2.055 10 0 CEAERO [NH3+]C1(COc2nnnn2-c2ccccc2)CCCCCC1 ZINC000080902238 177725443 /nfs/dbraw/zinc/72/54/43/177725443.db2.gz XHVGHJMARBCRBH-UHFFFAOYSA-N 1 0 287.367 2.093 10 0 CEAERO Cc1csc([C@@H](C)[NH2+][C@H]2CN3CCC2CC3)n1 ZINC000080273504 177635603 /nfs/dbraw/zinc/63/56/03/177635603.db2.gz KISMTYRLUMSPGK-PWSUYJOCSA-N 1 0 251.399 2.196 10 0 CEAERO O[C@@H]1C[C@@H](c2ccc(F)c(F)c2)N(C[C@@H]2CCC[NH2+]C2)C1 ZINC000261644322 285333864 /nfs/dbraw/zinc/33/38/64/285333864.db2.gz ANDXWFSJNSNIJT-KFNAQCHYSA-N 1 0 296.361 2.072 10 0 CEAERO CCOC[C@@H]([NH2+]C)C1(N2CCCCC2)CCCC1 ZINC000093550371 184688881 /nfs/dbraw/zinc/68/88/81/184688881.db2.gz FXTPPJILLCOUOU-CQSZACIVSA-N 1 0 254.418 2.410 10 0 CEAERO CCC[NH2+][C@@H](COC)C1(N2CCCC2)CCCC1 ZINC000093550352 184689083 /nfs/dbraw/zinc/68/90/83/184689083.db2.gz RKRFJIIUEAAYBK-AWEZNQCLSA-N 1 0 254.418 2.410 10 0 CEAERO CC[NH+](CC)CC[C@H]1CCC[C@@]1([NH2+]C(C)C)C(=O)[O-] ZINC000093583362 184692876 /nfs/dbraw/zinc/69/28/76/184692876.db2.gz IKBNFXOWXLULHP-HIFRSBDPSA-N 1 0 270.417 2.340 10 0 CEAERO CCCCCCOCC[C@H]1CCC[C@@]1([NH2+]C)C(N)=O ZINC000093618213 184696663 /nfs/dbraw/zinc/69/66/63/184696663.db2.gz YAYDZZKIEDVVPD-HIFRSBDPSA-N 1 0 270.417 2.217 10 0 CEAERO Cc1ncn(CC[C@H]2CCC[C@@]2(CO)[NH2+]C(C)C)c1C ZINC000093618458 184696918 /nfs/dbraw/zinc/69/69/18/184696918.db2.gz DPWPDPUBQJYHFI-CVEARBPZSA-N 1 0 279.428 2.419 10 0 CEAERO COc1cc(C)ccc1OCC[C@H]1CCC[C@@]1([NH3+])CO ZINC000093621636 184697186 /nfs/dbraw/zinc/69/71/86/184697186.db2.gz HKHMKEKHWWMDHZ-CZUORRHYSA-N 1 0 279.380 2.262 10 0 CEAERO CC(C)OCCOCC[C@@H]1CCC[C@@]1(CO)[NH2+]C1CC1 ZINC000093620605 184697382 /nfs/dbraw/zinc/69/73/82/184697382.db2.gz LDXSZOZEMGENLU-HOCLYGCPSA-N 1 0 285.428 2.101 10 0 CEAERO CC(C)COCC[C@@H]1CCC[C@]1(CO)[NH2+]C1CC1 ZINC000093620455 184697513 /nfs/dbraw/zinc/69/75/13/184697513.db2.gz CZAUDEOHFFSCEX-DZGCQCFKSA-N 1 0 255.402 2.332 10 0 CEAERO COCCSCC[C@H]1CCC[C@]1(CO)[NH2+]C1CC1 ZINC000093623394 184697665 /nfs/dbraw/zinc/69/76/65/184697665.db2.gz VUZGXTJILNTVNB-TZMCWYRMSA-N 1 0 273.442 2.039 10 0 CEAERO CC[NH2+][C@]1(CO)CCC[C@H]1CCSC1CCOCC1 ZINC000093622361 184697690 /nfs/dbraw/zinc/69/76/90/184697690.db2.gz JRCPMBLVCUUJFU-ZFWWWQNUSA-N 1 0 287.469 2.429 10 0 CEAERO CCc1nn(C)c(C/C=C/CC[NH2+]CCOC)c1Cl ZINC000093674481 184704464 /nfs/dbraw/zinc/70/44/64/184704464.db2.gz XDACSZKXTXNZME-AATRIKPKSA-N 1 0 285.819 2.361 10 0 CEAERO COc1ccc(C(=O)N[C@H](C)C[NH+]2CCCCC2)cc1O ZINC000093668647 184704563 /nfs/dbraw/zinc/70/45/63/184704563.db2.gz QOPNKJXBGGSEFN-GFCCVEGCSA-N 1 0 292.379 2.005 10 0 CEAERO CCC[C@@H](CC[C@H]1CCCN(S(C)(=O)=O)C1)[NH2+]CC ZINC000093697947 184707251 /nfs/dbraw/zinc/70/72/51/184707251.db2.gz MLFJEXWEBICPPE-KGLIPLIRSA-N 1 0 290.473 2.216 10 0 CEAERO CC(C)C[NH+](CC(C)C)[C@@H]1CCC[C@]([NH3+])(C(=O)[O-])C1 ZINC000093751249 184714267 /nfs/dbraw/zinc/71/42/67/184714267.db2.gz ICZCCVWJHNDJMM-UKRRQHHQSA-N 1 0 270.417 2.325 10 0 CEAERO Cc1cccc(CS[C@H]2CCC[C@]([NH3+])(C(N)=O)C2)c1 ZINC000093779421 184720204 /nfs/dbraw/zinc/72/02/04/184720204.db2.gz HZKHPUCAXICVLP-DZGCQCFKSA-N 1 0 278.421 2.354 10 0 CEAERO CC[NH2+][C@@]1(CO)CCC[C@H](Sc2ccccn2)C1 ZINC000093786654 184721911 /nfs/dbraw/zinc/72/19/11/184721911.db2.gz DYWGXQBCURGQPW-JSGCOSHPSA-N 1 0 266.410 2.457 10 0 CEAERO [NH3+][C@@]1(CO)CCC[C@@H](Sc2nc3ccccc3[nH]2)C1 ZINC000093786615 184722131 /nfs/dbraw/zinc/72/21/31/184722131.db2.gz XDEWGVNRJPWDRK-YGRLFVJLSA-N 1 0 277.393 2.287 10 0 CEAERO C[NH2+][C@H](CSC[C@@H](O)CO)c1cccc2ccccc21 ZINC000093961151 184746231 /nfs/dbraw/zinc/74/62/31/184746231.db2.gz XSNLOZRZWPVVEW-XJKSGUPXSA-N 1 0 291.416 2.187 10 0 CEAERO Cc1noc(-c2ccccc2NCC2CC[NH2+]CC2)n1 ZINC000094009755 184749401 /nfs/dbraw/zinc/74/94/01/184749401.db2.gz ADFGNNPPHQUBLV-UHFFFAOYSA-N 1 0 272.352 2.457 10 0 CEAERO CCN(CC1CC[NH2+]CC1)S(=O)(=O)c1ccccc1C ZINC000094023911 184751332 /nfs/dbraw/zinc/75/13/32/184751332.db2.gz SHRDQALMESEKAD-UHFFFAOYSA-N 1 0 296.436 2.005 10 0 CEAERO CN(CC1CC[NH2+]CC1)c1cnc2ccccc2n1 ZINC000094043239 184751559 /nfs/dbraw/zinc/75/15/59/184751559.db2.gz ZMLHJGCSBQYYIV-UHFFFAOYSA-N 1 0 256.353 2.066 10 0 CEAERO Cc1cc(C)nc(N(CC2CC[NH2+]CC2)C2CC2)n1 ZINC000094044753 184752703 /nfs/dbraw/zinc/75/27/03/184752703.db2.gz XBDFYQXIISGZLH-UHFFFAOYSA-N 1 0 260.385 2.062 10 0 CEAERO COc1ccc(OC)c(NC2CCC([NH3+])CC2)c1 ZINC000094074235 184754094 /nfs/dbraw/zinc/75/40/94/184754094.db2.gz WKSFLVJUDRTZMZ-UHFFFAOYSA-N 1 0 250.342 2.386 10 0 CEAERO CCOC(=O)CCC[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000094089307 184754937 /nfs/dbraw/zinc/75/49/37/184754937.db2.gz QMDFJJKVYJSVME-CQSZACIVSA-N 1 0 262.353 2.189 10 0 CEAERO [NH3+][C@@H](Cc1ccccn1)[C@H]1CCCc2cccnc21 ZINC000094115799 184755787 /nfs/dbraw/zinc/75/57/87/184755787.db2.gz HMBLNWFDULLMRW-CABCVRRESA-N 1 0 253.349 2.467 10 0 CEAERO CCO[C@@H](C)[C@@H](Cc1nc2ccccc2n1C)[NH2+]C ZINC000094171333 184759025 /nfs/dbraw/zinc/75/90/25/184759025.db2.gz RLHHGDQTUFHZGH-WCQYABFASA-N 1 0 261.369 2.129 10 0 CEAERO CCCn1c2ccc([C@H]([NH3+])[C@@H]3CCO[C@@H]3C)cc2oc1=O ZINC000094176954 184759777 /nfs/dbraw/zinc/75/97/77/184759777.db2.gz OFWYYFFWOJIEIR-HCKVZZMMSA-N 1 0 290.363 2.429 10 0 CEAERO O=C(c1ccc(F)c(F)c1F)N1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000094185019 184760361 /nfs/dbraw/zinc/76/03/61/184760361.db2.gz FDIMKCSWSFXBGS-NEPJUHHUSA-N 1 0 298.308 2.461 10 0 CEAERO Nc1cc[nH+]cc1[C@H](O)c1ncc(Cl)cc1Cl ZINC000094199817 184762284 /nfs/dbraw/zinc/76/22/84/184762284.db2.gz AOEHOSZRAKQUSN-NSHDSACASA-N 1 0 270.119 2.447 10 0 CEAERO COC1CC[NH+]([C@@]2(CN)CCCCC2(C)C)CC1 ZINC000094280319 184775243 /nfs/dbraw/zinc/77/52/43/184775243.db2.gz LYDQYTCLEBSHOR-OAHLLOKOSA-N 1 0 254.418 2.395 10 0 CEAERO CC1(C)CC[C@@H](Sc2nnc3ccccn32)[C@H]1[NH3+] ZINC000094313494 184778945 /nfs/dbraw/zinc/77/89/45/184778945.db2.gz RGFZLRNCMUMENM-MWLCHTKSSA-N 1 0 262.382 2.337 10 0 CEAERO CC[C@](C)(C(=O)[C@@H]1CCOC2(CCOCC2)C1)[NH+](C)C ZINC000094394110 184793117 /nfs/dbraw/zinc/79/31/17/184793117.db2.gz YYYBUPHGJABMTB-UKRRQHHQSA-N 1 0 283.412 2.262 10 0 CEAERO C[NH2+][C@H](C1CCC1)[C@@H]1CCOC2(CCOCC2)C1 ZINC000094403796 184793145 /nfs/dbraw/zinc/79/31/45/184793145.db2.gz PWOUTOQPRRSBHU-ZIAGYGMSSA-N 1 0 253.386 2.350 10 0 CEAERO CC(C)SC[C@@H]([NH3+])[C@@H]1CCOC2(CCOCC2)C1 ZINC000094404232 184793422 /nfs/dbraw/zinc/79/34/22/184793422.db2.gz GBJLMGQYPOUMAJ-CHWSQXEVSA-N 1 0 273.442 2.431 10 0 CEAERO CC[NH2+][C@@H](C(OC)OC)[C@@H]1CCOC2(CCCC2)C1 ZINC000094407914 184793634 /nfs/dbraw/zinc/79/36/34/184793634.db2.gz CXXUODCJXXSCKP-CHWSQXEVSA-N 1 0 271.401 2.323 10 0 CEAERO Cc1nn([C@@H]2CCO[C@]3(CCSC3)C2)c(C)c1CC[NH3+] ZINC000094413198 184794389 /nfs/dbraw/zinc/79/43/89/184794389.db2.gz ZPJBEWMQAXBPOY-UKRRQHHQSA-N 1 0 295.452 2.228 10 0 CEAERO CC(C)C[NH2+]C[C@H](O)[C@@H]1CCOC2(CCCC2)C1 ZINC000094418538 184795094 /nfs/dbraw/zinc/79/50/94/184795094.db2.gz GZQZXPBWPQGTFP-KGLIPLIRSA-N 1 0 255.402 2.332 10 0 CEAERO CC1(C)C[C@H]([NH2+][C@H]2CN3CCC2CC3)C(C)(C)O1 ZINC000094422481 184795312 /nfs/dbraw/zinc/79/53/12/184795312.db2.gz FRGOMCOTAHEDOB-STQMWFEESA-N 1 0 252.402 2.016 10 0 CEAERO CCOCCN1C[C@@H](C2CC2)[NH2+]Cc2ccccc21 ZINC000094421432 184795619 /nfs/dbraw/zinc/79/56/19/184795619.db2.gz BVWJRSWMMOHCCU-HNNXBMFYSA-N 1 0 260.381 2.411 10 0 CEAERO CC[NH2+][C@H](C)[C@H](O)c1c(Cl)n(C)nc1C(C)C ZINC000094724012 184847424 /nfs/dbraw/zinc/84/74/24/184847424.db2.gz CLKXHKMOWVLTMZ-KCJUWKMLSA-N 1 0 259.781 2.228 10 0 CEAERO C[NH2+][C@H](C)CCc1nc(-c2ccc(Cl)cn2)no1 ZINC000094845498 184879210 /nfs/dbraw/zinc/87/92/10/184879210.db2.gz XNJQEADCWNAAOM-MRVPVSSYSA-N 1 0 266.732 2.326 10 0 CEAERO COC(=O)C[C@@](C)(C[NH3+])c1cc(F)c(C)cc1F ZINC000094742445 184850872 /nfs/dbraw/zinc/85/08/72/184850872.db2.gz FNZHQKQRZNCAPV-ZDUSSCGKSA-N 1 0 257.280 2.053 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@H]1C(=O)Nc1ccc2n[nH]cc2c1 ZINC000094750509 184852040 /nfs/dbraw/zinc/85/20/40/184852040.db2.gz VMIYBYCFYLPWBP-CHWSQXEVSA-N 1 0 272.352 2.409 10 0 CEAERO [NH3+][C@H]1CCCCC[C@@H]1C(=O)NCCCOCc1ccco1 ZINC000094752523 184852856 /nfs/dbraw/zinc/85/28/56/184852856.db2.gz XPNCXNZMCKIPLA-GJZGRUSLSA-N 1 0 294.395 2.210 10 0 CEAERO [NH3+][C@H]1CCCCC[C@@H]1C(=O)NC(C1CC1)C1CC1 ZINC000094752492 184853051 /nfs/dbraw/zinc/85/30/51/184853051.db2.gz LZUUZOBZSICMGU-STQMWFEESA-N 1 0 250.386 2.199 10 0 CEAERO Cc1ccccc1N1C(=[NH2+])NC[C@]12CS[C@H](C)C2 ZINC000094475199 184807816 /nfs/dbraw/zinc/80/78/16/184807816.db2.gz DFSMQTYOPXIWOZ-BXUZGUMPSA-N 1 0 261.394 2.394 10 0 CEAERO C[C@@H]1C[C@@]2(C[NH+]=C(N)N2Cc2ccccc2)CS1 ZINC000094475181 184808282 /nfs/dbraw/zinc/80/82/82/184808282.db2.gz QVABNEGBCUMSDL-BXUZGUMPSA-N 1 0 261.394 2.081 10 0 CEAERO CN(Cc1cccnc1)[C@@]1(C[NH3+])CSCC(C)(C)C1 ZINC000094489220 184809032 /nfs/dbraw/zinc/80/90/32/184809032.db2.gz FZTVTEJIOJFNTG-HNNXBMFYSA-N 1 0 279.453 2.374 10 0 CEAERO CC1(C)CSC[C@]([NH2+]Cc2ccccc2)(C(N)=O)C1 ZINC000094489817 184809067 /nfs/dbraw/zinc/80/90/67/184809067.db2.gz RSCHICFXVHJTCQ-HNNXBMFYSA-N 1 0 278.421 2.163 10 0 CEAERO CCC[NH2+][C@H](Cc1cccnc1N)[C@H]1CSCCS1 ZINC000094498474 184810585 /nfs/dbraw/zinc/81/05/85/184810585.db2.gz GXBDJWFVQFXDMK-CHWSQXEVSA-N 1 0 297.493 2.423 10 0 CEAERO CCC[NH2+][C@@H](c1cc(F)ccc1C)[C@H]1CN2CCN1CC2 ZINC000094510906 184812880 /nfs/dbraw/zinc/81/28/80/184812880.db2.gz GEFDKMQANXWNAW-SJORKVTESA-N 1 0 291.414 2.175 10 0 CEAERO Cc1cc(C(=O)N2C[C@H](C)C[C@H]([NH3+])C2)c2ccccc2n1 ZINC000094548770 184815992 /nfs/dbraw/zinc/81/59/92/184815992.db2.gz XBBYZWSKJCXSFA-YPMHNXCESA-N 1 0 283.375 2.353 10 0 CEAERO CCCOc1cccc(C(=O)N2C[C@H]([NH3+])C[C@H](C)C2)c1 ZINC000094549901 184816484 /nfs/dbraw/zinc/81/64/84/184816484.db2.gz JZLPOTDJMPHANC-GXTWGEPZSA-N 1 0 276.380 2.285 10 0 CEAERO CCOc1cccc(-c2noc([C@@H]3CC[C@H](C[NH3+])O3)n2)c1 ZINC000094560827 184817382 /nfs/dbraw/zinc/81/73/82/184817382.db2.gz RFFDTRPVQNFSEC-OLZOCXBDSA-N 1 0 289.335 2.314 10 0 CEAERO [NH3+]C[C@@H]1CC[C@@H](c2nc(-c3ccc(F)cc3)no2)O1 ZINC000094560809 184817813 /nfs/dbraw/zinc/81/78/13/184817813.db2.gz NVIOYNSWBYRYFO-QWRGUYRKSA-N 1 0 263.272 2.055 10 0 CEAERO C[C@@H](c1ncc(-c2ccccc2F)cn1)N1CC[NH2+]CC1 ZINC000094577320 184820977 /nfs/dbraw/zinc/82/09/77/184820977.db2.gz CWCFKXJSTFOEJG-LBPRGKRZSA-N 1 0 286.354 2.249 10 0 CEAERO CCN(c1nc2cc(C)ccn2n1)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000094608900 184825791 /nfs/dbraw/zinc/82/57/91/184825791.db2.gz SYMOPNLIWMLQOU-ZIAGYGMSSA-N 1 0 287.411 2.382 10 0 CEAERO Cc1cccc2nc(N[C@@H]3CC[NH2+]C4(CCC4)C3)nn21 ZINC000094607395 184825914 /nfs/dbraw/zinc/82/59/14/184825914.db2.gz YKZJZRNQTLOLRF-GFCCVEGCSA-N 1 0 271.368 2.124 10 0 CEAERO CC[NH2+][C@]1(CO)CCC[C@H](Sc2ccncc2)C1 ZINC000094616415 184826534 /nfs/dbraw/zinc/82/65/34/184826534.db2.gz PLRFBDQKAPXUCM-UONOGXRCSA-N 1 0 266.410 2.457 10 0 CEAERO CC(C)[C@@H](C[NH3+])c1nc(-c2ccc(Cl)cn2)no1 ZINC000094842351 184878771 /nfs/dbraw/zinc/87/87/71/184878771.db2.gz VJKRXMXBJWWADC-SECBINFHSA-N 1 0 266.732 2.483 10 0 CEAERO Cc1ccc(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)c(F)c1 ZINC000094647154 184832975 /nfs/dbraw/zinc/83/29/75/184832975.db2.gz UMOASPNLCCHFIK-WDEREUQCSA-N 1 0 250.317 2.461 10 0 CEAERO COc1ccc(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)c(C)c1 ZINC000094648230 184833915 /nfs/dbraw/zinc/83/39/15/184833915.db2.gz WIDGLPKBIXCZCS-WCQYABFASA-N 1 0 262.353 2.330 10 0 CEAERO COc1cc(C[NH2+]C(C)C)ccc1O[C@H](C)[C@H](C)O ZINC000094652774 184834462 /nfs/dbraw/zinc/83/44/62/184834462.db2.gz IMMZPVVGLBIEJB-NWDGAFQWSA-N 1 0 267.369 2.341 10 0 CEAERO COc1cc(OC)cc([C@@H]([NH3+])c2ccc(F)cn2)c1 ZINC000094651629 184834841 /nfs/dbraw/zinc/83/48/41/184834841.db2.gz FQKOMNNKXXLERO-CQSZACIVSA-N 1 0 262.284 2.286 10 0 CEAERO CCC[NH2+]CC[C@@](C)(O)c1cc(OC)cc(OC)c1 ZINC000094652406 184835138 /nfs/dbraw/zinc/83/51/38/184835138.db2.gz OEOQWUOVPAEHTQ-OAHLLOKOSA-N 1 0 267.369 2.301 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1OCCc1ccc2c(c1)CCO2 ZINC000094673422 184837766 /nfs/dbraw/zinc/83/77/66/184837766.db2.gz WXGZBQICYUHYNL-SWLSCSKDSA-N 1 0 261.365 2.321 10 0 CEAERO CC(C)C[C@@H](C[NH3+])C(=O)Nc1ccc(Cl)cn1 ZINC000094697001 184841361 /nfs/dbraw/zinc/84/13/61/184841361.db2.gz KCIASSKLGVHSRK-VIFPVBQESA-N 1 0 255.749 2.295 10 0 CEAERO CC(C)C[C@@H](C[NH3+])C(=O)N(C)c1cccc(F)c1 ZINC000094699956 184842425 /nfs/dbraw/zinc/84/24/25/184842425.db2.gz BSUHAYYKJTYHHH-NSHDSACASA-N 1 0 252.333 2.410 10 0 CEAERO C[C@H]([NH3+])[C@H](C)c1nc(-c2ccc(Cl)cn2)no1 ZINC000094845516 184879153 /nfs/dbraw/zinc/87/91/53/184879153.db2.gz RVGQQXAIUSJLQS-BQBZGAKWSA-N 1 0 252.705 2.236 10 0 CEAERO CCC[NH2+]CC[C@](C)(O)Cc1nc(C)c(C)s1 ZINC000094982093 184910386 /nfs/dbraw/zinc/91/03/86/184910386.db2.gz ZVQFQLXMCSKDJY-ZDUSSCGKSA-N 1 0 256.415 2.443 10 0 CEAERO C[C@@H](O)c1ccnc(N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000095003469 184913701 /nfs/dbraw/zinc/91/37/01/184913701.db2.gz QYMYNRJMLSWXFA-HIFRSBDPSA-N 1 0 275.396 2.200 10 0 CEAERO COc1ncccc1COc1cccc(CC[NH3+])c1 ZINC000095009871 184914782 /nfs/dbraw/zinc/91/47/82/184914782.db2.gz NHYMPQFSUSLUIE-UHFFFAOYSA-N 1 0 258.321 2.170 10 0 CEAERO [NH3+]CCCN(C(=O)C[C@H]1CCCCO1)C1CCCC1 ZINC000095030546 184918467 /nfs/dbraw/zinc/91/84/67/184918467.db2.gz IQCVIVKNYNFYNP-CQSZACIVSA-N 1 0 268.401 2.066 10 0 CEAERO O=C(C[C@@H]1CCCCO1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000095032444 184919360 /nfs/dbraw/zinc/91/93/60/184919360.db2.gz HOADLJKUVNGLBE-KKUMJFAQSA-N 1 0 280.412 2.079 10 0 CEAERO [NH3+][C@H]1CC[C@@H]2CN(C(=O)Cc3ccc(F)c(F)c3)C[C@@H]2C1 ZINC000095045048 184922910 /nfs/dbraw/zinc/92/29/10/184922910.db2.gz GTWIJSFVHLLZCY-AGIUHOORSA-N 1 0 294.345 2.093 10 0 CEAERO C[C@@H](NC(=O)Cc1c(F)cccc1F)[C@@H]1CCCC[NH2+]1 ZINC000095048496 184924172 /nfs/dbraw/zinc/92/41/72/184924172.db2.gz XQWVWKMCFSYXKH-YGRLFVJLSA-N 1 0 282.334 2.154 10 0 CEAERO C[C@@H](NC(=O)Cc1ccc(F)cc1F)[C@@H]1CCCC[NH2+]1 ZINC000095066508 184929530 /nfs/dbraw/zinc/92/95/30/184929530.db2.gz XCUCFXZXWLEBRG-YGRLFVJLSA-N 1 0 282.334 2.154 10 0 CEAERO CN(Cc1ccnc(Br)c1)C[C@H]1CCC[NH2+]1 ZINC000095071013 184933045 /nfs/dbraw/zinc/93/30/45/184933045.db2.gz KEZSFCYSXCPXMQ-LLVKDONJSA-N 1 0 284.201 2.028 10 0 CEAERO CSc1nc(Cl)cc(OC[C@@H]2CCCC[NH2+]2)n1 ZINC000095071783 184933828 /nfs/dbraw/zinc/93/38/28/184933828.db2.gz YORJNRARVNXMRH-QMMMGPOBSA-N 1 0 273.789 2.373 10 0 CEAERO CCC[NH2+][C@@H]1CCN(Cc2sccc2CC)C1=O ZINC000094881775 184887430 /nfs/dbraw/zinc/88/74/30/184887430.db2.gz MGZMTKZLCYTRAL-GFCCVEGCSA-N 1 0 266.410 2.411 10 0 CEAERO NC(=[NH2+])COc1ccccc1NC(=O)NC1CCCC1 ZINC000094893134 184889069 /nfs/dbraw/zinc/88/90/69/184889069.db2.gz IMUDVWXCTZAZBC-UHFFFAOYSA-N 1 0 276.340 2.065 10 0 CEAERO CC(C)CC1(C(=O)N2CC[NH2+]C[C@@H]2C)CCCC1 ZINC000094905794 184890920 /nfs/dbraw/zinc/89/09/20/184890920.db2.gz GZTYJCBPQJKIBQ-ZDUSSCGKSA-N 1 0 252.402 2.413 10 0 CEAERO CCCN(CCC[NH3+])C(=O)c1ccc(C)cc1F ZINC000094912905 184891623 /nfs/dbraw/zinc/89/16/23/184891623.db2.gz FMEXBQWCFTZUIS-UHFFFAOYSA-N 1 0 252.333 2.335 10 0 CEAERO [NH3+][C@@H](c1ncc[nH]1)[C@H]1CCOC2(CCSCC2)C1 ZINC000094938035 184897326 /nfs/dbraw/zinc/89/73/26/184897326.db2.gz XPAROIQORYJVOP-WDEREUQCSA-N 1 0 267.398 2.102 10 0 CEAERO CC[C@H](CCO)C[NH2+][C@@H](C)c1ccc(O)c(OC)c1 ZINC000094949473 184902025 /nfs/dbraw/zinc/90/20/25/184902025.db2.gz XNXJEHCSIZJXAK-NWDGAFQWSA-N 1 0 267.369 2.460 10 0 CEAERO Cc1nc(CN(C)[C@@](C)(C[NH3+])C2(C)CC2)cs1 ZINC000094951923 184903179 /nfs/dbraw/zinc/90/31/79/184903179.db2.gz YVLHSVXRXWPCFF-ZDUSSCGKSA-N 1 0 253.415 2.401 10 0 CEAERO CC[C@H](CC[NH3+])CNc1ccc(S(=O)(=O)CC)cc1 ZINC000094962550 184906330 /nfs/dbraw/zinc/90/63/30/184906330.db2.gz LSKYHBHQFWXRPF-GFCCVEGCSA-N 1 0 284.425 2.267 10 0 CEAERO Cc1cc(C)c(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)c(C)c1 ZINC000282517496 195633245 /nfs/dbraw/zinc/63/32/45/195633245.db2.gz XXXCJBBRPZIFOR-DZGCQCFKSA-N 1 0 260.381 2.369 10 0 CEAERO COc1cc(C)c(C[N@@H+]2C[C@H](C)C[C@@H](O)C2)cc1OC ZINC000401510980 533572713 /nfs/dbraw/zinc/57/27/13/533572713.db2.gz VYMHAGIEQPDKRU-BXUZGUMPSA-N 1 0 279.380 2.215 10 0 CEAERO Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000245929238 131090004 /nfs/dbraw/zinc/09/00/04/131090004.db2.gz IUKDJZJVCCFDMF-JHJVBQTASA-N 1 0 278.421 2.323 10 0 CEAERO COC(=O)c1ccc([C@H](C)N2C[C@H](C)[C@H]([NH+](C)C)C2)o1 ZINC000251700195 131130858 /nfs/dbraw/zinc/13/08/58/131130858.db2.gz IVPCPACCIJGIMU-SDDRHHMPSA-N 1 0 280.368 2.009 10 0 CEAERO C[C@@H](CCO)C1(CNC(=O)c2ccc(C[NH3+])cc2)CCC1 ZINC000262345481 131213855 /nfs/dbraw/zinc/21/38/55/131213855.db2.gz XTQBUIZNKOQBPB-ZDUSSCGKSA-N 1 0 290.407 2.064 10 0 CEAERO CCCO[C@H]1CCCN(c2nc(C)cc(C)c2C(N)=[NH2+])C1 ZINC000042422629 134890240 /nfs/dbraw/zinc/89/02/40/134890240.db2.gz IJLIZYIEFSMLLQ-ZDUSSCGKSA-N 1 0 290.411 2.378 10 0 CEAERO Cc1ccccc1[C@@H](C[NH3+])N1CC(=O)Nc2ccccc21 ZINC000043034268 134898773 /nfs/dbraw/zinc/89/87/73/134898773.db2.gz IEBMJHONWIUGFD-MRXNPFEDSA-N 1 0 281.359 2.454 10 0 CEAERO Cc1ccnc(N2CCCC[C@H]2C[NH2+]CC(C)C)n1 ZINC000061859991 134931393 /nfs/dbraw/zinc/93/13/93/134931393.db2.gz YIUDNPISINVWIM-AWEZNQCLSA-N 1 0 262.401 2.390 10 0 CEAERO [NH3+][C@@H]1CCCN(c2ccc(-c3cccc(F)c3)nn2)C1 ZINC000070458502 134949323 /nfs/dbraw/zinc/94/93/23/134949323.db2.gz PVOWFRYKUYLPSK-CYBMUJFWSA-N 1 0 272.327 2.210 10 0 CEAERO CCOc1cncc(N2CCC(C[NH2+]CC(C)C)CC2)n1 ZINC000071176795 134960022 /nfs/dbraw/zinc/96/00/22/134960022.db2.gz NLTPQLMJTOLJAS-UHFFFAOYSA-N 1 0 292.427 2.337 10 0 CEAERO C[NH2+][C@H](C[C@H]1CCCO1)c1ccc2c(c1)CCC(=O)N2C ZINC000087215163 135049061 /nfs/dbraw/zinc/04/90/61/135049061.db2.gz OFVHLLQPQZQTLR-HUUCEWRRSA-N 1 0 288.391 2.425 10 0 CEAERO C[C@H]1Oc2ccccc2N(CCC(C)(C)C[NH3+])C1=O ZINC000087590802 135050778 /nfs/dbraw/zinc/05/07/78/135050778.db2.gz JNCYYAWQWVOQRS-LLVKDONJSA-N 1 0 262.353 2.176 10 0 CEAERO Clc1ccc(N2CC[NH2+]CC23CCCCC3)nn1 ZINC000088396719 135054352 /nfs/dbraw/zinc/05/43/52/135054352.db2.gz ORAQMLRIXWOXHU-UHFFFAOYSA-N 1 0 266.776 2.243 10 0 CEAERO C[NH2+]CCCCS(=O)(=O)N1C[C@H](C)Cc2ccccc21 ZINC000089036101 135057719 /nfs/dbraw/zinc/05/77/19/135057719.db2.gz PVZUGDDLUJYXOQ-CYBMUJFWSA-N 1 0 296.436 2.015 10 0 CEAERO C[C@@H](CC1CC1)[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000089733509 135060561 /nfs/dbraw/zinc/06/05/61/135060561.db2.gz FMNMOYRETASNTO-JSGCOSHPSA-N 1 0 260.385 2.224 10 0 CEAERO CC[NH2+]C[C@H]1CCCCN1c1cc(OCC)nc(C)n1 ZINC000090788143 135065619 /nfs/dbraw/zinc/06/56/19/135065619.db2.gz MIIYCRRVHAONNV-CYBMUJFWSA-N 1 0 278.400 2.152 10 0 CEAERO CC[NH2+]C[C@@H]1CCCN(c2cc(OCC)nc(C)n2)C1 ZINC000090788134 135065654 /nfs/dbraw/zinc/06/56/54/135065654.db2.gz ADMOBBOCZRBBQW-ZDUSSCGKSA-N 1 0 278.400 2.010 10 0 CEAERO CCOc1cc(N2CCC[C@H](C[NH2+]C(C)C)C2)nc(C)n1 ZINC000090787854 135065678 /nfs/dbraw/zinc/06/56/78/135065678.db2.gz CYGNMTSUJMYKCD-CQSZACIVSA-N 1 0 292.427 2.398 10 0 CEAERO CC(C)(C)[NH2+]Cc1cccnc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090907725 135066673 /nfs/dbraw/zinc/06/66/73/135066673.db2.gz IJLYQUAIQLOQFE-OKILXGFUSA-N 1 0 275.396 2.337 10 0 CEAERO CC(C)[NH2+]Cc1cncc(N2CCO[C@@H]3CCCC[C@@H]32)n1 ZINC000091420822 135069440 /nfs/dbraw/zinc/06/94/40/135069440.db2.gz VPYZVOAZQTZAGP-LSDHHAIUSA-N 1 0 290.411 2.122 10 0 CEAERO CCO[C@@H]1CCCN(c2cncc(C[NH2+]C(C)(C)C)n2)C1 ZINC000091421051 135069562 /nfs/dbraw/zinc/06/95/62/135069562.db2.gz HYIDASPRVMLTHK-CQSZACIVSA-N 1 0 292.427 2.370 10 0 CEAERO [NH3+][C@@H]1CC[C@H](N2CCN(c3ccccc3Cl)CC2)C1 ZINC000093221047 135079657 /nfs/dbraw/zinc/07/96/57/135079657.db2.gz GWYNLDIHVTWIRB-OLZOCXBDSA-N 1 0 279.815 2.342 10 0 CEAERO [NH3+][C@H]1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000093224390 135079666 /nfs/dbraw/zinc/07/96/66/135079666.db2.gz LPNKYLFOKXLETA-UONOGXRCSA-N 1 0 277.387 2.218 10 0 CEAERO CC[C@](C)([NH3+])C(=O)N1CCCc2cccc(OC)c21 ZINC000094235744 135084479 /nfs/dbraw/zinc/08/44/79/135084479.db2.gz TWAKJZYRTOBNHO-HNNXBMFYSA-N 1 0 262.353 2.102 10 0 CEAERO CC1(C)CC(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC(C)(C)[NH2+]1 ZINC000005523113 394458409 /nfs/dbraw/zinc/45/84/09/394458409.db2.gz OXAUHFISPWLGBV-STQMWFEESA-N 1 0 292.423 2.471 10 0 CEAERO C[C@@H]1CN(C(=O)c2cc3c(s2)CCCC3)C[C@H]1[NH3+] ZINC000235373034 394483745 /nfs/dbraw/zinc/48/37/45/394483745.db2.gz WXFWKRODDBJQBN-MWLCHTKSSA-N 1 0 264.394 2.046 10 0 CEAERO C[C@@H]1CN(C(=O)c2ccccc2C(F)(F)F)C[C@@H]1[NH3+] ZINC000235368489 394484121 /nfs/dbraw/zinc/48/41/21/394484121.db2.gz DVVQCKWKCXTLQV-KCJUWKMLSA-N 1 0 272.270 2.125 10 0 CEAERO COc1ccccc1[C@@H](N)[C@H]([NH3+])c1ccccc1OC ZINC000038438649 394498082 /nfs/dbraw/zinc/49/80/82/394498082.db2.gz CTMKVJFFLNHDQE-HZPDHXFCSA-N 1 0 272.348 2.404 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCc3ccccc32)C1 ZINC000246478128 394516605 /nfs/dbraw/zinc/51/66/05/394516605.db2.gz QMRPKXHAZHGVFG-UKRRQHHQSA-N 1 0 287.407 2.487 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(F)c(C)c2)C1 ZINC000052520354 394558146 /nfs/dbraw/zinc/55/81/46/394558146.db2.gz NGCLGGHMKPDPCX-AWEZNQCLSA-N 1 0 293.386 2.418 10 0 CEAERO CCOCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253096052 394575750 /nfs/dbraw/zinc/57/57/50/394575750.db2.gz PXBKNELSTVSSQE-RBSFLKMASA-N 1 0 255.402 2.429 10 0 CEAERO Cc1cc([C@@H]2CCCN2C(=O)[C@H]2CCC[C@H]([NH3+])C2)on1 ZINC000070576621 394586983 /nfs/dbraw/zinc/58/69/83/394586983.db2.gz DYBPLVKCTPUYBD-AVGNSLFASA-N 1 0 277.368 2.164 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H]2COc3ccccc32)C1 ZINC000246755934 394521360 /nfs/dbraw/zinc/52/13/60/394521360.db2.gz BOLMPGTVJWBEMA-SNPRPXQTSA-N 1 0 288.391 2.008 10 0 CEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000308477653 394527823 /nfs/dbraw/zinc/52/78/23/394527823.db2.gz KCWHHRYNQZCGAR-GWCFXTLKSA-N 1 0 266.772 2.139 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc2c1CCC2 ZINC000247460173 394531007 /nfs/dbraw/zinc/53/10/07/394531007.db2.gz QTAIQYXSEFZTBM-ZFWWWQNUSA-N 1 0 284.403 2.484 10 0 CEAERO CCC(CC)(C[NH2+]Cc1c(C)nn(C)c1OC)OC ZINC000311690740 394538357 /nfs/dbraw/zinc/53/83/57/394538357.db2.gz KIKYFMXVLLSRAY-UHFFFAOYSA-N 1 0 269.389 2.032 10 0 CEAERO Nc1cccc(C[NH+]2CCC(c3cc[nH]n3)CC2)c1 ZINC000261618118 394604127 /nfs/dbraw/zinc/60/41/27/394604127.db2.gz BIWOSJAYPDPITD-UHFFFAOYSA-N 1 0 256.353 2.372 10 0 CEAERO O=C([O-])C[N@H+](CC1CC1)C1CC([NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000263529548 394629108 /nfs/dbraw/zinc/62/91/08/394629108.db2.gz VSBWFIQHKYFDLZ-CKUJCDMFSA-N 1 0 292.423 2.092 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1ccc2c(c1)CCCC2 ZINC000335499122 394770787 /nfs/dbraw/zinc/77/07/87/394770787.db2.gz AJFTZDLOSZUXQF-XHDPSFHLSA-N 1 0 258.365 2.127 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)C1(c2ccccc2)CCCC1 ZINC000335500765 394771002 /nfs/dbraw/zinc/77/10/02/394771002.db2.gz PZMSQZLGYOOUNV-DZGCQCFKSA-N 1 0 272.392 2.447 10 0 CEAERO CC[C@@](C)(O)C[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000123016914 394821992 /nfs/dbraw/zinc/82/19/92/394821992.db2.gz PFBVLEFHYYWBGK-RUJXFNLJSA-N 1 0 288.435 2.478 10 0 CEAERO CCC(CC)n1ccc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)n1 ZINC000281862989 394864323 /nfs/dbraw/zinc/86/43/23/394864323.db2.gz AORUXNPKJYSCRU-BXUZGUMPSA-N 1 0 278.400 2.001 10 0 CEAERO CCCCc1cc(NC(=O)[C@@H](CCC)[NH+](C)C)n[nH]1 ZINC000125822559 394845118 /nfs/dbraw/zinc/84/51/18/394845118.db2.gz UZLDVQQAGIJADR-GFCCVEGCSA-N 1 0 266.389 2.421 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)/C=C/c2ccc(Cl)nc2)C1 ZINC000130610885 394891655 /nfs/dbraw/zinc/89/16/55/394891655.db2.gz TZXOGJFYFQWURH-STMXVASLSA-N 1 0 293.798 2.349 10 0 CEAERO CCC[C@@H](C(=O)N[C@H](C)c1nc(C)cs1)[NH+](C)C ZINC000131938300 394921936 /nfs/dbraw/zinc/92/19/36/394921936.db2.gz CKBMPCRRJAHXLD-MNOVXSKESA-N 1 0 269.414 2.359 10 0 CEAERO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000284693187 394948728 /nfs/dbraw/zinc/94/87/28/394948728.db2.gz 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395123194 /nfs/dbraw/zinc/12/31/94/395123194.db2.gz YBHMTLPJLLMOQG-UONOGXRCSA-N 1 0 254.418 2.360 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1cnc2ccccc2c1 ZINC000380166323 395166113 /nfs/dbraw/zinc/16/61/13/395166113.db2.gz AJNUTPVYTHTMAB-WFASDCNBSA-N 1 0 269.348 2.092 10 0 CEAERO CC[C@H](C)[C@@H](C[N@@H+]1CCN2CCCC[C@H]2C1)OC ZINC000381331870 395173283 /nfs/dbraw/zinc/17/32/83/395173283.db2.gz ZETXYQCPPCNROJ-SOUVJXGZSA-N 1 0 254.418 2.218 10 0 CEAERO Fc1cc(C[NH2+]C[C@@H]2CC[NH2+]C2)ccc1Br ZINC000398353628 395233911 /nfs/dbraw/zinc/23/39/11/395233911.db2.gz KQRHBNGITLFMPE-SNVBAGLBSA-N 1 0 287.176 2.287 10 0 CEAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H](C)C1CCC1)CC2 ZINC000180502238 395203529 /nfs/dbraw/zinc/20/35/29/395203529.db2.gz MUCXNKIQURUTMP-YPMHNXCESA-N 1 0 262.401 2.495 10 0 CEAERO CC[C@@](C)(O)C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000189222291 395324994 /nfs/dbraw/zinc/32/49/94/395324994.db2.gz MOBOKXHTSSAIQS-HZPDHXFCSA-N 1 0 261.365 2.279 10 0 CEAERO CC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000401919863 395265174 /nfs/dbraw/zinc/26/51/74/395265174.db2.gz WHYFGSAVHDKVQL-REWJHTLYSA-N 1 0 252.402 2.460 10 0 CEAERO C[C@@H]1C[C@@H](O)C[N@H+](CCc2c(F)cccc2F)C1 ZINC000402049546 395268381 /nfs/dbraw/zinc/26/83/81/395268381.db2.gz PQZBDUAMFSZKHX-GHMZBOCLSA-N 1 0 255.308 2.210 10 0 CEAERO C[C@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)c1cccs1 ZINC000192864773 395395541 /nfs/dbraw/zinc/39/55/41/395395541.db2.gz VVIUGUJFMUEFPJ-VIFPVBQESA-N 1 0 283.397 2.023 10 0 CEAERO CCCCOC[C@H](O)C[N@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000195184470 395461385 /nfs/dbraw/zinc/46/13/85/395461385.db2.gz GIGKCJSYFYVQRI-WMLDXEAASA-N 1 0 295.423 2.433 10 0 CEAERO CCCCOC[C@H](O)C[NH2+][C@@](C)(CO)C1CCCCC1 ZINC000195178482 395461603 /nfs/dbraw/zinc/46/16/03/395461603.db2.gz HSPIOZILFZYQCV-CVEARBPZSA-N 1 0 287.444 2.085 10 0 CEAERO CC(C)c1nnc2n1C[C@H]([NH2+]Cc1ccco1)CC2 ZINC000195404772 395465521 /nfs/dbraw/zinc/46/55/21/395465521.db2.gz LMFXWHBNEFPEJV-LLVKDONJSA-N 1 0 260.341 2.099 10 0 CEAERO CC(C)n1ccnc1CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000649415076 396148311 /nfs/dbraw/zinc/14/83/11/396148311.db2.gz IPWZCCRDMBFZKT-GJZGRUSLSA-N 1 0 276.428 2.428 10 0 CEAERO CC(C)C[C@@H]([NH3+])C(=O)N1CCc2ccsc2C1 ZINC000646274448 396326240 /nfs/dbraw/zinc/32/62/40/396326240.db2.gz HDGOLCWCMWGCJN-LLVKDONJSA-N 1 0 252.383 2.006 10 0 CEAERO C[C@@H]1C[C@H]1c1ccc(CCC(=O)NC[C@H]2CC[NH2+]C2)o1 ZINC000646967419 396396818 /nfs/dbraw/zinc/39/68/18/396396818.db2.gz PDRNFEFTWBDCKU-MBNYWOFBSA-N 1 0 276.380 2.061 10 0 CEAERO CCC[C@@H](C(=O)NCCc1cc(F)cc(F)c1)[NH+](C)C ZINC000161873205 297449322 /nfs/dbraw/zinc/44/93/22/297449322.db2.gz CJMOKVNRROEIGS-AWEZNQCLSA-N 1 0 284.350 2.354 10 0 CEAERO OC1CCC2(CC1)CC[NH+]([C@H]1CCCC[C@H]1O)CC2 ZINC000336259622 296540098 /nfs/dbraw/zinc/54/00/98/296540098.db2.gz OVISCPIQZIFCMB-LSDHHAIUSA-N 1 0 267.413 2.307 10 0 CEAERO [NH3+]C1CCC(C(=O)Nc2cccc(-n3cccn3)c2)CC1 ZINC000037626804 400117682 /nfs/dbraw/zinc/11/76/82/400117682.db2.gz PSZDNEQODKFJCM-UHFFFAOYSA-N 1 0 284.363 2.328 10 0 CEAERO [NH3+]C1CCC(C(=O)Nc2ccccc2-n2cccn2)CC1 ZINC000037628591 400117728 /nfs/dbraw/zinc/11/77/28/400117728.db2.gz QPDOIWCONNQGKB-UHFFFAOYSA-N 1 0 284.363 2.328 10 0 CEAERO COc1cccc(CN(C)C(=O)C2CCC([NH3+])CC2)c1 ZINC000037797922 400119434 /nfs/dbraw/zinc/11/94/34/400119434.db2.gz YQAORHQLQFMNPO-UHFFFAOYSA-N 1 0 276.380 2.171 10 0 CEAERO C[NH+](C)C[C@H](NC(=O)NCc1ccncc1)c1ccccc1 ZINC000047596711 400180307 /nfs/dbraw/zinc/18/03/07/400180307.db2.gz NNNXWLSLFKIYRD-INIZCTEOSA-N 1 0 298.390 2.184 10 0 CEAERO Cc1ccccc1[C@H](C)[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC000042256845 400132499 /nfs/dbraw/zinc/13/24/99/400132499.db2.gz GBWAEDJCFXYUAH-XHSDSOJGSA-N 1 0 293.407 2.202 10 0 CEAERO CN1CCC[C@@H]1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000386311994 400526971 /nfs/dbraw/zinc/52/69/71/400526971.db2.gz MBZVOMGRAICXCK-QKPAOTATSA-N 1 0 266.429 2.096 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)NC[C@H](C)COCc1ccccc1 ZINC000390189135 400540589 /nfs/dbraw/zinc/54/05/89/400540589.db2.gz MQRCAJKQCPJTMX-HOCLYGCPSA-N 1 0 292.423 2.329 10 0 CEAERO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1conc1C ZINC000397881913 400559655 /nfs/dbraw/zinc/55/96/55/400559655.db2.gz BDTBQGSMDHYCBM-LSDHHAIUSA-N 1 0 263.385 2.432 10 0 CEAERO CC(C)n1ccnc1CN1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000652355627 401493563 /nfs/dbraw/zinc/49/35/63/401493563.db2.gz BNIXYRLFGUFDGH-UONOGXRCSA-N 1 0 264.417 2.413 10 0 CEAERO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)COC(C)C)C12CCCC2 ZINC000246858165 286247096 /nfs/dbraw/zinc/24/70/96/286247096.db2.gz UFMKFNYAYMIRJM-BZUAXINKSA-N 1 0 299.455 2.442 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)N(C)C2CC2)C12CCOCC2 ZINC000186322805 286282889 /nfs/dbraw/zinc/28/28/89/286282889.db2.gz XBZRNAPVGPUXLF-FVQBIDKESA-N 1 0 296.455 2.033 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCSC2)C12CCOCC2 ZINC000248915592 286293329 /nfs/dbraw/zinc/29/33/29/286293329.db2.gz DBPLPDQDJWQGDH-YNEHKIRRSA-N 1 0 271.426 2.056 10 0 CEAERO CCOC1CC(CC[NH2+]Cc2c(C)nn(C)c2OC)C1 ZINC000188777737 153069106 /nfs/dbraw/zinc/06/91/06/153069106.db2.gz UVHRIVOXBIFFPM-UHFFFAOYSA-N 1 0 281.400 2.032 10 0 CEAERO Cc1cncc(C[NH+]2CCC(Cn3cccn3)CC2)c1 ZINC000189877237 153110567 /nfs/dbraw/zinc/11/05/67/153110567.db2.gz FDDSNEMCFVMNOS-UHFFFAOYSA-N 1 0 270.380 2.499 10 0 CEAERO Cn1cc([C@@H]2CC[N@H+](C[C@H](O)CC3CCCC3)C2)cn1 ZINC000190572519 153133615 /nfs/dbraw/zinc/13/36/15/153133615.db2.gz DMWGKVLVLQFTSU-GDBMZVCRSA-N 1 0 277.412 2.151 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNCc1cn(C(C)(C)C)nn1 ZINC000191470172 153176005 /nfs/dbraw/zinc/17/60/05/153176005.db2.gz HKDKIZDJYKRCKP-OAHLLOKOSA-N 1 0 293.459 2.243 10 0 CEAERO Cc1cccc(OCC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000195094245 153276851 /nfs/dbraw/zinc/27/68/51/153276851.db2.gz PLJVBHODRJMJJU-HNNXBMFYSA-N 1 0 288.391 2.071 10 0 CEAERO CCCCOC[C@H](O)C[N@@H+]1CCC2(CCCC2)C1 ZINC000195180104 153277552 /nfs/dbraw/zinc/27/75/52/153277552.db2.gz UTAQYUXIROQUTG-CQSZACIVSA-N 1 0 255.402 2.430 10 0 CEAERO CCc1csc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)N(C)C)C2)n1 ZINC000195442836 153285445 /nfs/dbraw/zinc/28/54/45/153285445.db2.gz ZZWHQADPLHJXOG-NWDGAFQWSA-N 1 0 295.452 2.362 10 0 CEAERO CCc1csc([C@@H]2CCCN([C@@H]3CCOC3=O)C2)n1 ZINC000195379331 153286660 /nfs/dbraw/zinc/28/66/60/153286660.db2.gz CPLKITJXFMRRLC-ZYHUDNBSSA-N 1 0 280.393 2.200 10 0 CEAERO CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195507996 153290770 /nfs/dbraw/zinc/29/07/70/153290770.db2.gz BVUVBZXMVKEDFD-CHWSQXEVSA-N 1 0 292.427 2.282 10 0 CEAERO C[C@H]([NH2+][C@H](CN(C)C)c1ccccc1)[C@@H]1CCOC1 ZINC000221842268 153310160 /nfs/dbraw/zinc/31/01/60/153310160.db2.gz YOACEURTUHMIIS-NUEKZKHPSA-N 1 0 262.397 2.304 10 0 CEAERO OCC[C@H]1CC[N@H+](CCOc2ccccc2Cl)C1 ZINC000227567531 153346930 /nfs/dbraw/zinc/34/69/30/153346930.db2.gz KSORXUNJFPPIDP-GFCCVEGCSA-N 1 0 269.772 2.423 10 0 CEAERO OCC[C@@H]1CC[N@H+](Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000227567667 153347590 /nfs/dbraw/zinc/34/75/90/153347590.db2.gz ZRIBROBOGSKRDG-NSHDSACASA-N 1 0 297.782 2.316 10 0 CEAERO COc1c(C[NH2+]C[C@@H]2CCC[C@H]2C)c(C)nn1C ZINC000230663108 153398928 /nfs/dbraw/zinc/39/89/28/153398928.db2.gz OXRWCBCDAHZSKH-PWSUYJOCSA-N 1 0 251.374 2.263 10 0 CEAERO C[C@@H]1C[C@@H](C(=O)N2CCO[C@H](C[NH+](C)C)C2)CC(C)(C)C1 ZINC000183821396 288449760 /nfs/dbraw/zinc/44/97/60/288449760.db2.gz KBCPZHQOQCXMLR-RBSFLKMASA-N 1 0 296.455 2.238 10 0 CEAERO Cc1ccnc(N[C@@H](C)CC[NH3+])c1Br ZINC000235089526 153432258 /nfs/dbraw/zinc/43/22/58/153432258.db2.gz HUBDMDJCWGNXDQ-QMMMGPOBSA-N 1 0 258.163 2.302 10 0 CEAERO CCc1nc(CN2CC[C@@H]([NH3+])C(C)(C)C2)cs1 ZINC000261561408 153759719 /nfs/dbraw/zinc/75/97/19/153759719.db2.gz VJSSAWFSKWGILE-LLVKDONJSA-N 1 0 253.415 2.265 10 0 CEAERO C[NH2+][C@H](C)CNc1ncnc2sc(C)c(C)c21 ZINC000261560512 153760679 /nfs/dbraw/zinc/76/06/79/153760679.db2.gz USKRAEZTUWVTCQ-SSDOTTSWSA-N 1 0 250.371 2.328 10 0 CEAERO CO[C@@H](C)c1nsc(NC[C@@]2(C)CCC[NH2+]C2)n1 ZINC000261559561 153761832 /nfs/dbraw/zinc/76/18/32/153761832.db2.gz DSNWPDRGEJUIPK-CABZTGNLSA-N 1 0 270.402 2.047 10 0 CEAERO CCc1cc(CC)nc(N2CCC(C[NH2+]C)CC2)n1 ZINC000261610090 153789190 /nfs/dbraw/zinc/78/91/90/153789190.db2.gz SEZVRHVBBMUKEM-UHFFFAOYSA-N 1 0 262.401 2.037 10 0 CEAERO CC1CCC(C)(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261631163 153794625 /nfs/dbraw/zinc/79/46/25/153794625.db2.gz BUZNVHNYKUGEDK-DNCHLWJUSA-N 1 0 252.402 2.446 10 0 CEAERO COc1ccc(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)c(F)c1 ZINC000261756520 153828825 /nfs/dbraw/zinc/82/88/25/153828825.db2.gz NKXHZOVRVZQQPH-CYBMUJFWSA-N 1 0 280.343 2.034 10 0 CEAERO C[C@H]([NH3+])CC(=O)NCC1CCC(C(F)(F)F)CC1 ZINC000261814286 153847447 /nfs/dbraw/zinc/84/74/47/153847447.db2.gz MBRJZINWYXLSDK-IDKOKCKLSA-N 1 0 266.307 2.209 10 0 CEAERO C[C@@H]([NH3+])CC(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000261852559 153856481 /nfs/dbraw/zinc/85/64/81/153856481.db2.gz NHCQOSXQRAFBAA-MFKMUULPSA-N 1 0 282.771 2.057 10 0 CEAERO C[C@@H]1CC[C@@H](CC(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000261884681 153865477 /nfs/dbraw/zinc/86/54/77/153865477.db2.gz PTAIZUPKRSQOMK-JHJVBQTASA-N 1 0 252.402 2.399 10 0 CEAERO C[NH2+]CCN(C)C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000263113401 154020107 /nfs/dbraw/zinc/02/01/07/154020107.db2.gz FGKXEABNMUFRKY-VXGBXAGGSA-N 1 0 298.333 2.069 10 0 CEAERO C[C@@H]1CCC[C@H](Cc2nc([C@H]3C[NH2+]CCN3C)no2)C1 ZINC000263129520 154020272 /nfs/dbraw/zinc/02/02/72/154020272.db2.gz BOEBQLYTDXRITE-FRRDWIJNSA-N 1 0 278.400 2.015 10 0 CEAERO O[C@H]1C[NH2+]C[C@H]1CNCc1ccc(-c2ccccc2)cc1 ZINC000263118149 154021102 /nfs/dbraw/zinc/02/11/02/154021102.db2.gz ASZXETSAWATWSX-MSOLQXFVSA-N 1 0 282.387 2.024 10 0 CEAERO CSc1ccc(-c2nc([C@@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263179823 154032221 /nfs/dbraw/zinc/03/22/21/154032221.db2.gz GPIRZTSPASSSLP-LBPRGKRZSA-N 1 0 290.392 2.035 10 0 CEAERO CC(C)c1ccc(C[C@@H](C)NC(=O)C2C[NH2+]C2)cc1 ZINC000263251451 154041446 /nfs/dbraw/zinc/04/14/46/154041446.db2.gz DYWYQHZYDWTZOJ-GFCCVEGCSA-N 1 0 260.381 2.077 10 0 CEAERO Cc1cccc([C@H](NC(=O)C2C[NH2+]C2)C(C)(C)C)c1 ZINC000263312957 154055824 /nfs/dbraw/zinc/05/58/24/154055824.db2.gz PQKDXLJJYNGMNO-AWEZNQCLSA-N 1 0 260.381 2.418 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+][C@@H](C)CC2CCCC2)C1 ZINC000263454827 154093530 /nfs/dbraw/zinc/09/35/30/154093530.db2.gz ANSUXKZTRNNJMA-GRTSSRMGSA-N 1 0 282.428 2.482 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+][C@H](C)CCC2CC2)C1 ZINC000263537239 154121721 /nfs/dbraw/zinc/12/17/21/154121721.db2.gz ZZIJJKPMAWCZGJ-LMWSTFAQSA-N 1 0 268.401 2.092 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCOC1CCC1 ZINC000367862927 156248074 /nfs/dbraw/zinc/24/80/74/156248074.db2.gz LVUWAUNZFREUKO-ZIAGYGMSSA-N 1 0 252.402 2.114 10 0 CEAERO CC(C)[C@@H]([NH3+])CNc1ccncc1Br ZINC000159907810 162318765 /nfs/dbraw/zinc/31/87/65/162318765.db2.gz IBTWQGVXGMSSRP-VIFPVBQESA-N 1 0 258.163 2.239 10 0 CEAERO CCCn1cc(CN2CCC[N@H+](CC3CC3)CC2)cn1 ZINC000156207508 162308550 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CCC[NH+](CCC)CCCC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000170968077 162378395 /nfs/dbraw/zinc/37/83/95/162378395.db2.gz ZXQMTYJEZFHOLQ-INIZCTEOSA-N 1 0 295.471 2.195 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1Cc1cccc(Br)c1 ZINC000261537959 162540445 /nfs/dbraw/zinc/54/04/45/162540445.db2.gz WWNUBVRAEMILDT-BXKDBHETSA-N 1 0 269.186 2.371 10 0 CEAERO C[NH2+][C@H](C)CNc1nccc(C)c1Br ZINC000261529248 162540518 /nfs/dbraw/zinc/54/05/18/162540518.db2.gz QJLKLHWNVMZBJH-MRVPVSSYSA-N 1 0 258.163 2.172 10 0 CEAERO C[C@H]1CCN(Cc2ccncc2Cl)[C@H](C[NH3+])C1 ZINC000261543809 162544069 /nfs/dbraw/zinc/54/40/69/162544069.db2.gz VFCQMWKEZFQJSE-JQWIXIFHSA-N 1 0 253.777 2.294 10 0 CEAERO C[C@@](O)(C[NH+]1CCC(c2cc[nH]n2)CC1)c1ccccc1 ZINC000170778889 165041651 /nfs/dbraw/zinc/04/16/51/165041651.db2.gz LQYXIWSVPPRQJW-QGZVFWFLSA-N 1 0 285.391 2.497 10 0 CEAERO O=C(CC[C@@H]1CCCCO1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000171857352 165049863 /nfs/dbraw/zinc/04/98/63/165049863.db2.gz WKXAZCOSSBMPPM-GJZGRUSLSA-N 1 0 280.412 2.032 10 0 CEAERO C[C@@H](Cc1ccccc1F)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172349719 165059553 /nfs/dbraw/zinc/05/95/53/165059553.db2.gz GEVOMBPYOLYYPS-DZGCQCFKSA-N 1 0 290.382 2.311 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COC1CCCCC1 ZINC000174966858 165123015 /nfs/dbraw/zinc/12/30/15/165123015.db2.gz PWPDNWNOWMZWNH-HUUCEWRRSA-N 1 0 294.439 2.421 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)CCOc1ccc(OC)cc1 ZINC000175333235 165133893 /nfs/dbraw/zinc/13/38/93/165133893.db2.gz FNWCHTBCCAOTIQ-HNNXBMFYSA-N 1 0 292.423 2.490 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H]1CC=CCC1 ZINC000176275517 165159838 /nfs/dbraw/zinc/15/98/38/165159838.db2.gz FRPYJBGLMULFSF-GJZGRUSLSA-N 1 0 279.428 2.468 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CC[C@@H]1CC[C@H](C)O1 ZINC000177024676 165185427 /nfs/dbraw/zinc/18/54/27/165185427.db2.gz AIHAAMWFEHAXTB-ZNMIVQPWSA-N 1 0 282.428 2.277 10 0 CEAERO CCCCCC[N@@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000177279671 165193385 /nfs/dbraw/zinc/19/33/85/165193385.db2.gz PUKSWBFTTUOUAF-LSDHHAIUSA-N 1 0 254.418 2.219 10 0 CEAERO Nc1cc[nH+]cc1C(=O)Nc1ccc2ncccc2c1 ZINC000178006652 165218054 /nfs/dbraw/zinc/21/80/54/165218054.db2.gz GCJFDYSGYQDMOH-UHFFFAOYSA-N 1 0 264.288 2.464 10 0 CEAERO Cc1nccn1C[C@@H]1CCC[N@H+]1CCOC(C)C ZINC000178288790 165231734 /nfs/dbraw/zinc/23/17/34/165231734.db2.gz SXYWBVZMGHLZFQ-AWEZNQCLSA-N 1 0 251.374 2.081 10 0 CEAERO CC(C)COc1cccc(C(=O)NCC[C@@H](C)[NH3+])c1 ZINC000178649884 165252160 /nfs/dbraw/zinc/25/21/60/165252160.db2.gz HYMBNIQMTJZMIM-GFCCVEGCSA-N 1 0 264.369 2.189 10 0 CEAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000180206965 165302078 /nfs/dbraw/zinc/30/20/78/165302078.db2.gz LKFPCEREHPHUAS-OLZOCXBDSA-N 1 0 292.427 2.334 10 0 CEAERO CCc1ccnc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2CC)c1 ZINC000180289663 165305125 /nfs/dbraw/zinc/30/51/25/165305125.db2.gz MMJSPKBFFLZLOO-LSDHHAIUSA-N 1 0 287.407 2.343 10 0 CEAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)CC2 ZINC000180610358 165315805 /nfs/dbraw/zinc/31/58/05/165315805.db2.gz UAKUUMOAYVEFRH-GWCFXTLKSA-N 1 0 289.358 2.040 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCNC(=O)OC(C)(C)C ZINC000180828413 165322197 /nfs/dbraw/zinc/32/21/97/165322197.db2.gz JNXVTEYIBMDSAY-UONOGXRCSA-N 1 0 297.443 2.070 10 0 CEAERO CCc1nccn1[C@H]1CCC[N@H+](C[C@@H](C)OC)C1 ZINC000182148019 165365323 /nfs/dbraw/zinc/36/53/23/165365323.db2.gz QUJJLGVHAQXEFG-OLZOCXBDSA-N 1 0 251.374 2.117 10 0 CEAERO C[C@@H](c1ccccc1F)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173922910 287151675 /nfs/dbraw/zinc/15/16/75/287151675.db2.gz JXXJNLZYMSGHHO-KBPBESRZSA-N 1 0 278.371 2.293 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N(CC)CC ZINC000173832149 287220063 /nfs/dbraw/zinc/22/00/63/287220063.db2.gz LMPQTVAWGYIGGB-CHWSQXEVSA-N 1 0 253.390 2.007 10 0 CEAERO COc1cc(OC)c([C@@H]2C[C@H](C)C[NH2+]2)cc1OC ZINC000003704217 169908359 /nfs/dbraw/zinc/90/83/59/169908359.db2.gz LKBHLZBUEBVOQX-ONGXEEELSA-N 1 0 251.326 2.383 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H](C)C1CC1 ZINC000245475302 287227411 /nfs/dbraw/zinc/22/74/11/287227411.db2.gz RUZOACDSFKYCCJ-YUTCNCBUSA-N 1 0 250.386 2.118 10 0 CEAERO CCN1c2ccc(C[NH3+])cc2N(C)C(=O)c2cccnc21 ZINC000005842779 170145802 /nfs/dbraw/zinc/14/58/02/170145802.db2.gz SZGWHRPEDQDLTG-UHFFFAOYSA-N 1 0 282.347 2.288 10 0 CEAERO [NH3+]CCCc1nnc(SCc2ccc(F)cc2)o1 ZINC000008039368 170315545 /nfs/dbraw/zinc/31/55/45/170315545.db2.gz PLOZEAGDZOMDRO-UHFFFAOYSA-N 1 0 267.329 2.392 10 0 CEAERO O=C(NCC[C@@H]1CCCC[NH2+]1)c1ccccc1F ZINC000019476624 170807684 /nfs/dbraw/zinc/80/76/84/170807684.db2.gz JJMLUWLJWGZMMW-NSHDSACASA-N 1 0 250.317 2.088 10 0 CEAERO O=C(NCC[C@H]1CCCC[NH2+]1)Nc1ccccc1F ZINC000019488469 170813526 /nfs/dbraw/zinc/81/35/26/170813526.db2.gz RQKAEOWTSOCOHJ-LLVKDONJSA-N 1 0 265.332 2.479 10 0 CEAERO COc1ccc(C(=O)N(C)CC[C@H]2CCCC[NH2+]2)c(O)c1 ZINC000019843841 170892117 /nfs/dbraw/zinc/89/21/17/170892117.db2.gz OBHDKOICQNXVEM-GFCCVEGCSA-N 1 0 292.379 2.005 10 0 CEAERO CCc1ccc([C@@H](C)[NH2+]CCN2CCOCC2)cc1 ZINC000019954950 170940904 /nfs/dbraw/zinc/94/09/04/170940904.db2.gz LYAJRMXJNVIXJM-CQSZACIVSA-N 1 0 262.397 2.232 10 0 CEAERO C[C@H]([NH2+]CCC(=O)N1CCCC1)c1ccc(F)cc1 ZINC000020127229 171012025 /nfs/dbraw/zinc/01/20/25/171012025.db2.gz IGANAFATPIIWCB-LBPRGKRZSA-N 1 0 264.344 2.489 10 0 CEAERO COc1ccccc1C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000020183613 171046786 /nfs/dbraw/zinc/04/67/86/171046786.db2.gz RMCPVKJULORKQG-UHFFFAOYSA-N 1 0 284.359 2.296 10 0 CEAERO CC(C)CCNS(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000020187943 171052482 /nfs/dbraw/zinc/05/24/82/171052482.db2.gz MFKKUAUPQZUCJC-LLVKDONJSA-N 1 0 270.398 2.031 10 0 CEAERO CCOc1cc2c(cc1C[NH2+][C@H](CC)CO)O[C@H](C)C2 ZINC000020194379 171060001 /nfs/dbraw/zinc/06/00/01/171060001.db2.gz OWQWLIXHWNUUBE-BXUZGUMPSA-N 1 0 279.380 2.269 10 0 CEAERO CCc1nnc([C@@H](C[NH3+])Cc2ccc(CC)cc2)o1 ZINC000020222325 171084992 /nfs/dbraw/zinc/08/49/92/171084992.db2.gz OCHRKOJPDHKAST-CYBMUJFWSA-N 1 0 259.353 2.479 10 0 CEAERO COc1ccc(CN(C)[C@H](C[NH3+])c2ccco2)cc1 ZINC000020225263 171087424 /nfs/dbraw/zinc/08/74/24/171087424.db2.gz WKSOVBUFTTUUCA-CQSZACIVSA-N 1 0 260.337 2.420 10 0 CEAERO [NH3+]CCOc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000020224544 171087525 /nfs/dbraw/zinc/08/75/25/171087525.db2.gz FHKLVCJHDRMFSK-UHFFFAOYSA-N 1 0 274.295 2.416 10 0 CEAERO [NH3+]CCOc1ccc(NC(=O)c2cccc(F)c2)cc1 ZINC000020224543 171087588 /nfs/dbraw/zinc/08/75/88/171087588.db2.gz FSBAITCXSYWLOZ-UHFFFAOYSA-N 1 0 274.295 2.416 10 0 CEAERO Cc1c(C(=O)Nc2ccccc2[C@@H](C)[NH3+])cnn1C ZINC000020251782 171104205 /nfs/dbraw/zinc/10/42/05/171104205.db2.gz UDGJKKXAFCNALQ-SECBINFHSA-N 1 0 258.325 2.001 10 0 CEAERO CCN(C(=O)CC[NH3+])c1ccc(OC(C)C)cc1 ZINC000020262489 171120185 /nfs/dbraw/zinc/12/01/85/171120185.db2.gz FZYISCGRPFAKEY-UHFFFAOYSA-N 1 0 250.342 2.176 10 0 CEAERO [NH3+][C@H](COc1ccc2c(c1)OCO2)c1ccccc1 ZINC000020263561 171120838 /nfs/dbraw/zinc/12/08/38/171120838.db2.gz REEXDJKDQZZGDH-CYBMUJFWSA-N 1 0 257.289 2.494 10 0 CEAERO CCN(CC)[C@H](C[NH2+][C@H](C)C(=O)N(C)C)c1ccccc1 ZINC000020310096 171144143 /nfs/dbraw/zinc/14/41/43/171144143.db2.gz MIOGQSKCSIKGEG-GDBMZVCRSA-N 1 0 291.439 2.136 10 0 CEAERO Cc1nc2sc3c(c2c(NCC[NH3+])n1)CC[C@H](C)C3 ZINC000020323925 171150089 /nfs/dbraw/zinc/15/00/89/171150089.db2.gz NTNACAUTCUDVIH-QMMMGPOBSA-N 1 0 276.409 2.495 10 0 CEAERO Cc1c(C[NH3+])nnn1-c1cc(Cl)ccc1Cl ZINC000020391470 171180330 /nfs/dbraw/zinc/18/03/30/171180330.db2.gz VQJSXMFHNSKDFI-UHFFFAOYSA-N 1 0 257.124 2.341 10 0 CEAERO CCCNC(=O)[C@H](C)Oc1ccccc1[C@H]([NH3+])CC ZINC000020419957 171186088 /nfs/dbraw/zinc/18/60/88/171186088.db2.gz BSBKSEIDDGFEJO-WCQYABFASA-N 1 0 264.369 2.390 10 0 CEAERO CC(C)[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000020522959 171235966 /nfs/dbraw/zinc/23/59/66/171235966.db2.gz DITPFADFAFEDQH-NEPJUHHUSA-N 1 0 259.357 2.357 10 0 CEAERO CC[NH+](CC)CCCN1C(=S)N=NC1C(C)C ZINC000020590464 171260715 /nfs/dbraw/zinc/26/07/15/171260715.db2.gz LAPYIKGVYJQSGG-UHFFFAOYSA-N 1 0 256.419 2.422 10 0 CEAERO Cc1ccccc1NC(=O)C[NH2+]Cc1ccncc1 ZINC000021516224 171312262 /nfs/dbraw/zinc/31/22/62/171312262.db2.gz TWKWUIRBFCXXMW-UHFFFAOYSA-N 1 0 255.321 2.118 10 0 CEAERO C[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(N)c2)C1 ZINC000022151971 171358998 /nfs/dbraw/zinc/35/89/98/171358998.db2.gz PUGJHMDOLDZVAO-LBPRGKRZSA-N 1 0 261.369 2.329 10 0 CEAERO CC1CC[NH+](CCC(=O)Nc2cccc(N)c2)CC1 ZINC000022154163 171361501 /nfs/dbraw/zinc/36/15/01/171361501.db2.gz KUYGAQGBQPATMF-UHFFFAOYSA-N 1 0 261.369 2.329 10 0 CEAERO CC[NH+](CC)CCCC(=O)Nc1ccc(OC)cc1N ZINC000022155353 171361702 /nfs/dbraw/zinc/36/17/02/171361702.db2.gz DTHCEFJPEIUINI-UHFFFAOYSA-N 1 0 279.384 2.338 10 0 CEAERO [NH3+]Cc1ccc(OCC(=O)Nc2ccc(F)cc2F)cc1 ZINC000022170380 171367712 /nfs/dbraw/zinc/36/77/12/171367712.db2.gz LMPLRJZIDJLDQS-UHFFFAOYSA-N 1 0 292.285 2.441 10 0 CEAERO COc1ccc(N)cc1NC(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000022171528 171368045 /nfs/dbraw/zinc/36/80/45/171368045.db2.gz BVTIXFWJFMOHKG-LBPRGKRZSA-N 1 0 291.395 2.480 10 0 CEAERO Cc1cc(C)n(CCCC(=O)Nc2ccc(C[NH3+])cc2)n1 ZINC000022211489 171373448 /nfs/dbraw/zinc/37/34/48/171373448.db2.gz DJILULTXJMSPKM-UHFFFAOYSA-N 1 0 286.379 2.378 10 0 CEAERO C[C@@H]1CCC[C@H](NC(=O)COc2ccc(C[NH3+])cc2)[C@@H]1C ZINC000022215536 171375252 /nfs/dbraw/zinc/37/52/52/171375252.db2.gz YBJOZNYCKQBZFR-IOASZLSFSA-N 1 0 290.407 2.465 10 0 CEAERO C[C@@H]1CC[C@H]([NH3+])[C@@H](Oc2ccc3c(c2)CCC(=O)N3)C1 ZINC000022566976 171392781 /nfs/dbraw/zinc/39/27/81/171392781.db2.gz ROHIGGVISGFJOT-DGFSRKRXSA-N 1 0 274.364 2.466 10 0 CEAERO CCOc1ccccc1O[C@@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000023070328 171410010 /nfs/dbraw/zinc/41/00/10/171410010.db2.gz VXXDQFAHIAUQRI-IUODEOHRSA-N 1 0 293.363 2.087 10 0 CEAERO CCC[NH2+]C[C@H](O)c1ccc(Br)cc1 ZINC000032110483 171702595 /nfs/dbraw/zinc/70/25/95/171702595.db2.gz JGFHIBUDCDUTSI-NSHDSACASA-N 1 0 258.159 2.482 10 0 CEAERO [NH3+]CC1(NS(=O)(=O)c2ccccc2)CCCCCCC1 ZINC000034940837 171900293 /nfs/dbraw/zinc/90/02/93/171900293.db2.gz FNHQOYREBMRKJP-UHFFFAOYSA-N 1 0 296.436 2.407 10 0 CEAERO COC[C@@H](C)[NH2+]Cc1cccc(OC)c1OC(F)F ZINC000035161344 172020797 /nfs/dbraw/zinc/02/07/97/172020797.db2.gz UHAPLHLEKQRXDO-SECBINFHSA-N 1 0 275.295 2.421 10 0 CEAERO O=C(C[NH2+][C@@H]1CCCc2ccccc21)N1CCCC1 ZINC000035179720 172032625 /nfs/dbraw/zinc/03/26/25/172032625.db2.gz UIAOCSUHANBWPO-OAHLLOKOSA-N 1 0 258.365 2.276 10 0 CEAERO COC[C@@H](C)NC1=[NH+]C[C@H](c2ccccc2)S1 ZINC000035294483 172105976 /nfs/dbraw/zinc/10/59/76/172105976.db2.gz XLBPOHJHFGTLOW-ZYHUDNBSSA-N 1 0 250.367 2.455 10 0 CEAERO CCCN(CC)c1nc2sccn2c1C[NH2+]C ZINC000035430139 172198248 /nfs/dbraw/zinc/19/82/48/172198248.db2.gz ACINQGNTXVCMTN-UHFFFAOYSA-N 1 0 252.387 2.352 10 0 CEAERO CC[NH2+][C@@H](c1ccco1)c1ccc2c(c1)CC(=O)N2 ZINC000035549834 172257913 /nfs/dbraw/zinc/25/79/13/172257913.db2.gz CDWAIGQLKPCNTO-OAHLLOKOSA-N 1 0 256.305 2.473 10 0 CEAERO [NH3+][C@@H]1CC(=O)N(c2ccccc2SC(F)F)C1 ZINC000035679776 172350694 /nfs/dbraw/zinc/35/06/94/172350694.db2.gz XOMCWISJGOVENX-SSDOTTSWSA-N 1 0 258.293 2.065 10 0 CEAERO C[C@H](NC(=O)c1ccc(F)cc1F)[C@@H]1CCCC[NH2+]1 ZINC000035690744 172359191 /nfs/dbraw/zinc/35/91/91/172359191.db2.gz OZAKIXQPCIUODI-ZANVPECISA-N 1 0 268.307 2.225 10 0 CEAERO CN(Cc1ccco1)C[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000035702308 172370198 /nfs/dbraw/zinc/37/01/98/172370198.db2.gz KLDVKEQXEIOJRA-HNNXBMFYSA-N 1 0 256.349 2.426 10 0 CEAERO Cn1ccnc1SCCOc1ccc(C[NH3+])cc1 ZINC000035722633 172378249 /nfs/dbraw/zinc/37/82/49/172378249.db2.gz SIQNHOGQMZJCOA-UHFFFAOYSA-N 1 0 263.366 2.050 10 0 CEAERO CC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Cl)cc21 ZINC000035760887 172399464 /nfs/dbraw/zinc/39/94/64/172399464.db2.gz BLCLZRLZRZVABZ-SNVBAGLBSA-N 1 0 259.758 2.168 10 0 CEAERO C[NH2+][C@H]1CCCS(=O)(=O)c2ccc(Cl)cc21 ZINC000035760876 172399626 /nfs/dbraw/zinc/39/96/26/172399626.db2.gz HAHKDNXZSYFBTG-JTQLQIEISA-N 1 0 259.758 2.168 10 0 CEAERO O=S1(=O)CC[C@@H]([NH2+]C2CC2)c2cc(Cl)ccc21 ZINC000035760836 172399789 /nfs/dbraw/zinc/39/97/89/172399789.db2.gz OSHFKBOZAVTQGU-LLVKDONJSA-N 1 0 271.769 2.311 10 0 CEAERO CC[NH2+][C@@H]1C[C@@H](C)S(=O)(=O)c2c(F)cccc21 ZINC000035762833 172402362 /nfs/dbraw/zinc/40/23/62/172402362.db2.gz DWEVTIFGGVTMEM-LDYMZIIASA-N 1 0 257.330 2.042 10 0 CEAERO C[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(=O)c1ccccc1Cl ZINC000036259433 172552063 /nfs/dbraw/zinc/55/20/63/172552063.db2.gz DQWGOODVMUZRBA-BREBYQMCSA-N 1 0 264.756 2.162 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C3CCCCC3)C[C@@H]2C1 ZINC000036261896 172554621 /nfs/dbraw/zinc/55/46/21/172554621.db2.gz WLIGZWBVMLGNMR-HZSPNIEDSA-N 1 0 250.386 2.153 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(c3ncccc3Cl)C[C@@H]2C1 ZINC000036269283 172564336 /nfs/dbraw/zinc/56/43/36/172564336.db2.gz BBLZVCLAAHTOJG-OUAUKWLOSA-N 1 0 251.761 2.299 10 0 CEAERO [NH3+][C@H]1CC[C@@H]2CN(c3ncccc3Cl)C[C@@H]2C1 ZINC000036269281 172564370 /nfs/dbraw/zinc/56/43/70/172564370.db2.gz BBLZVCLAAHTOJG-VWYCJHECSA-N 1 0 251.761 2.299 10 0 CEAERO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000036287449 172582756 /nfs/dbraw/zinc/58/27/56/172582756.db2.gz BCZJNVXTDCXSDB-BFHYXJOUSA-N 1 0 250.386 2.071 10 0 CEAERO CC(=O)NCC[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000036844239 172747043 /nfs/dbraw/zinc/74/70/43/172747043.db2.gz XPEYNBZGLBLMKH-UHFFFAOYSA-N 1 0 266.772 2.312 10 0 CEAERO CCCOCCCC(=O)Nc1ccccc1C[NH3+] ZINC000037024802 172888853 /nfs/dbraw/zinc/88/88/53/172888853.db2.gz STJIOQDAWYGNPY-UHFFFAOYSA-N 1 0 250.342 2.291 10 0 CEAERO CC[C@H](C)C[N@H+](C)CC(=O)Nc1cc(N)ccc1C ZINC000037172325 173005575 /nfs/dbraw/zinc/00/55/75/173005575.db2.gz FEHRHKDOPPSGAK-NSHDSACASA-N 1 0 263.385 2.494 10 0 CEAERO CCCc1cc(=O)[nH]c(S[C@H](C[NH3+])C(F)(F)F)n1 ZINC000037178094 173011229 /nfs/dbraw/zinc/01/12/29/173011229.db2.gz USCBPDFNFIUDHL-SSDOTTSWSA-N 1 0 281.303 2.116 10 0 CEAERO Ic1ccc(C[NH2+]C2CC2)o1 ZINC000037183780 173015919 /nfs/dbraw/zinc/01/59/19/173015919.db2.gz NAERNMWBINISDN-UHFFFAOYSA-N 1 0 263.078 2.136 10 0 CEAERO CCOc1ccc(OCC)c(N2CC[C@H]([NH2+]C)C2)c1 ZINC000037240934 173057146 /nfs/dbraw/zinc/05/71/46/173057146.db2.gz JBMIYJOPDUXCLH-LBPRGKRZSA-N 1 0 264.369 2.282 10 0 CEAERO Cc1csc2nc(C)c(C[NH2+]CCCn3ccnc3)n12 ZINC000037249257 173061307 /nfs/dbraw/zinc/06/13/07/173061307.db2.gz AXCVGWSSEKMMEH-UHFFFAOYSA-N 1 0 289.408 2.389 10 0 CEAERO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CC(=O)N(C)C ZINC000037254439 173065342 /nfs/dbraw/zinc/06/53/42/173065342.db2.gz QMIHGUJPOLRTKK-VIFPVBQESA-N 1 0 283.441 2.488 10 0 CEAERO COC(=O)c1ccccc1C[NH2+]CCc1ccco1 ZINC000037258943 173069360 /nfs/dbraw/zinc/06/93/60/173069360.db2.gz RQJGCPZWRCCDDB-UHFFFAOYSA-N 1 0 259.305 2.399 10 0 CEAERO CC(C)C[C@H](C)[NH2+]Cc1ccc(C(N)=O)cc1F ZINC000037264871 173074201 /nfs/dbraw/zinc/07/42/01/173074201.db2.gz CPJDLNJGRQPJRS-JTQLQIEISA-N 1 0 252.333 2.449 10 0 CEAERO CCC1CCC(CN)([NH+]2CCC(OC)CC2)CC1 ZINC000037265956 173074974 /nfs/dbraw/zinc/07/49/74/173074974.db2.gz KZARRALNHUMHRQ-UHFFFAOYSA-N 1 0 254.418 2.395 10 0 CEAERO COC1CC[NH+]([C@@H](C)[C@@H](N)c2ccc(C)cc2)CC1 ZINC000037266145 173076102 /nfs/dbraw/zinc/07/61/02/173076102.db2.gz VKOXHFAGWFAVDF-XJKSGUPXSA-N 1 0 262.397 2.494 10 0 CEAERO CCc1ccc([C@@H](C)[NH2+]C2CCN(C(N)=O)CC2)cc1 ZINC000037279666 173089373 /nfs/dbraw/zinc/08/93/73/173089373.db2.gz CPQAXKOSOVXNKG-GFCCVEGCSA-N 1 0 275.396 2.443 10 0 CEAERO C[NH+](C)C1CCN(CC(=O)c2cccc(F)c2)CC1 ZINC000037339795 173141250 /nfs/dbraw/zinc/14/12/50/173141250.db2.gz ULYKHMCRPZLLPD-UHFFFAOYSA-N 1 0 264.344 2.034 10 0 CEAERO CCC[NH2+]C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000037370687 173159925 /nfs/dbraw/zinc/15/99/25/173159925.db2.gz AKTAFTQAEIFUEI-GDBMZVCRSA-N 1 0 263.381 2.441 10 0 CEAERO COC(=O)CCC[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000037395198 173175133 /nfs/dbraw/zinc/17/51/33/173175133.db2.gz ZHENQNPUVDFMDR-UHFFFAOYSA-N 1 0 299.754 2.154 10 0 CEAERO CC[NH+](CC)CCn1c(N)nc2c1cccc2F ZINC000037421259 173198315 /nfs/dbraw/zinc/19/83/15/173198315.db2.gz ICCBQUBMDDPGOP-UHFFFAOYSA-N 1 0 250.321 2.099 10 0 CEAERO Cc1cc(Cl)c(C(C)C)cc1OC[C@@H](O)C[NH3+] ZINC000037429116 173200076 /nfs/dbraw/zinc/20/00/76/173200076.db2.gz RHNHBMLTBXSLFZ-JTQLQIEISA-N 1 0 257.761 2.470 10 0 CEAERO CC(C)n1c2ccc(Br)cc2nc1[C@H]([NH3+])CO ZINC000037441804 173211064 /nfs/dbraw/zinc/21/10/64/173211064.db2.gz JVORTRNVVWXJBW-SECBINFHSA-N 1 0 298.184 2.372 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](c2nc3cc(Br)ccc3[nH]2)C1 ZINC000037441254 173211110 /nfs/dbraw/zinc/21/11/10/173211110.db2.gz OANIAVVLVXYVSE-KWQFWETISA-N 1 0 296.168 2.375 10 0 CEAERO CC(C)[NH2+][C@@](C)(C(N)=O)c1ccc(C(F)(F)F)cc1 ZINC000037446448 173213480 /nfs/dbraw/zinc/21/34/80/173213480.db2.gz HJBSPPKBQPPKJK-GFCCVEGCSA-N 1 0 274.286 2.404 10 0 CEAERO CCCN(C(=O)c1ccccc1F)[C@H]1CCC[NH2+]C1 ZINC000037541636 173263825 /nfs/dbraw/zinc/26/38/25/173263825.db2.gz GEICWDWAGYNADD-LBPRGKRZSA-N 1 0 264.344 2.430 10 0 CEAERO COc1ccc(OCc2cccnc2)c(CC[NH3+])c1 ZINC000037719986 173638177 /nfs/dbraw/zinc/63/81/77/173638177.db2.gz KCLHHDSUDJOBBY-UHFFFAOYSA-N 1 0 258.321 2.170 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccccc1F ZINC000037764201 173691106 /nfs/dbraw/zinc/69/11/06/173691106.db2.gz IWXAHJQIUDEGFK-GBIKHYSHSA-N 1 0 252.333 2.376 10 0 CEAERO CC(C)CN(C(=O)[C@@H]([NH3+])Cc1ccccc1)C(C)C ZINC000037810169 173753721 /nfs/dbraw/zinc/75/37/21/173753721.db2.gz GTRQMIZXVAYIAZ-HNNXBMFYSA-N 1 0 262.397 2.449 10 0 CEAERO C[C@@H](NCC1([NH+](C)C)CCCCC1)c1cc[nH]n1 ZINC000037906662 173839117 /nfs/dbraw/zinc/83/91/17/173839117.db2.gz UPJKWLAVFVGTMT-GFCCVEGCSA-N 1 0 250.390 2.325 10 0 CEAERO CCC[C@@H](C)NC(=O)[C@@H](C)[NH2+]CCc1ccco1 ZINC000037980851 173940614 /nfs/dbraw/zinc/94/06/14/173940614.db2.gz PYFNRONBOOQXFU-VXGBXAGGSA-N 1 0 252.358 2.105 10 0 CEAERO C[C@@H](CNC(=O)c1cc(F)ccc1N)[NH+]1CCCCC1 ZINC000038029414 174020211 /nfs/dbraw/zinc/02/02/11/174020211.db2.gz QJMJFBBVLQBYCT-NSHDSACASA-N 1 0 279.359 2.012 10 0 CEAERO CC(C)Cc1noc([C@H]2CCCN2C2CC[NH2+]CC2)n1 ZINC000038042501 174046727 /nfs/dbraw/zinc/04/67/27/174046727.db2.gz GPDAXOQYCXJRGW-CYBMUJFWSA-N 1 0 278.400 2.157 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)/C=C/c1cccs1 ZINC000038049531 174060494 /nfs/dbraw/zinc/06/04/94/174060494.db2.gz ITLDCKRHZBGADT-BRQSLIGTSA-N 1 0 250.367 2.147 10 0 CEAERO CC[NH2+]Cc1c(-n2cc(Cl)cn2)nc2sccn12 ZINC000038053880 174065215 /nfs/dbraw/zinc/06/52/15/174065215.db2.gz CQBPVRZLIPUSQH-UHFFFAOYSA-N 1 0 281.772 2.344 10 0 CEAERO CC(C)[C@H]([NH2+]C[C@H]1COCCO1)c1cccs1 ZINC000038060962 174072453 /nfs/dbraw/zinc/07/24/53/174072453.db2.gz MGDQUAYPSNGMES-AAEUAGOBSA-N 1 0 255.383 2.450 10 0 CEAERO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2COCCO2)c(C)n1 ZINC000038061087 174072809 /nfs/dbraw/zinc/07/28/09/174072809.db2.gz OWLARFVRFOUMKJ-JSGCOSHPSA-N 1 0 264.369 2.073 10 0 CEAERO CC[C@H](C)[NH2+][C@@H](C(N)=O)c1ccc(OC(F)F)cc1 ZINC000038065273 174076104 /nfs/dbraw/zinc/07/61/04/174076104.db2.gz RDMSQJKHGTWRIA-GZMMTYOYSA-N 1 0 272.295 2.203 10 0 CEAERO CC[C@H](C)[NH2+][C@](C)(C(N)=O)c1ccc(F)cc1F ZINC000038065569 174076389 /nfs/dbraw/zinc/07/63/89/174076389.db2.gz FRTVZKCEXLJIGJ-SDBXPKJASA-N 1 0 256.296 2.053 10 0 CEAERO CC[C@@H](C)[NH2+][C@](C)(C(N)=O)c1ccccc1Cl ZINC000038065624 174076909 /nfs/dbraw/zinc/07/69/09/174076909.db2.gz VOJXTSNETIJGQY-RNCFNFMXSA-N 1 0 254.761 2.429 10 0 CEAERO C[C@H]([NH2+]CC[C@H]1CCCO1)C(=O)Nc1ccccc1 ZINC000038097359 174110904 /nfs/dbraw/zinc/11/09/04/174110904.db2.gz FEDLPFLXYZEFGV-GXTWGEPZSA-N 1 0 262.353 2.172 10 0 CEAERO COc1ccccc1OC[C@@H](O)C[NH2+]CC(C)(C)C ZINC000040493197 174293041 /nfs/dbraw/zinc/29/30/41/174293041.db2.gz UWONMKFOUKBYGX-LBPRGKRZSA-N 1 0 267.369 2.071 10 0 CEAERO Cc1ccc(OC[C@@H](C)[NH2+][C@@H](C)C(=O)NC(C)C)cc1 ZINC000040499826 174296711 /nfs/dbraw/zinc/29/67/11/174296711.db2.gz GXERUMXZLMXICS-KGLIPLIRSA-N 1 0 278.396 2.265 10 0 CEAERO CC(=O)NC[C@@H](c1ccco1)[NH+]1CCC(C)CC1 ZINC000040614673 174353478 /nfs/dbraw/zinc/35/34/78/174353478.db2.gz NLOWRTDGIGTYSX-ZDUSSCGKSA-N 1 0 250.342 2.189 10 0 CEAERO Cc1c(N)cccc1C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000040620410 174355201 /nfs/dbraw/zinc/35/52/01/174355201.db2.gz ZCMJCRHWXWAQFX-CYBMUJFWSA-N 1 0 275.396 2.037 10 0 CEAERO Cc1cc2ncnn2c(NC[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000040623926 174355383 /nfs/dbraw/zinc/35/53/83/174355383.db2.gz OQTPNANGBXIWSY-ZDUSSCGKSA-N 1 0 273.384 2.180 10 0 CEAERO CO[C@H]1C[NH2+][C@H](C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000040630169 174357710 /nfs/dbraw/zinc/35/77/10/174357710.db2.gz OXEYEQPNKPRULC-MNOVXSKESA-N 1 0 288.269 2.021 10 0 CEAERO CO[C@H]1C[NH2+][C@H](c2nc(-c3cc(F)ccc3F)c[nH]2)C1 ZINC000040637689 174361722 /nfs/dbraw/zinc/36/17/22/174361722.db2.gz OPOYRNCUJVZWEG-SKDRFNHKSA-N 1 0 279.290 2.404 10 0 CEAERO C[C@H](CCc1ccc(O)cc1)[NH2+]CCc1nccn1C ZINC000040638762 174362984 /nfs/dbraw/zinc/36/29/84/174362984.db2.gz ZCODUFNBBTWLEL-CYBMUJFWSA-N 1 0 273.380 2.279 10 0 CEAERO Cc1nc([C@H](C)[NH2+]CCc2nccn2C)c(C)s1 ZINC000040638973 174363282 /nfs/dbraw/zinc/36/32/82/174363282.db2.gz JXMYJWPVXRGRNH-VIFPVBQESA-N 1 0 264.398 2.387 10 0 CEAERO CCOC(=O)CC[NH2+]C[C@@]1(N(C)C)CCC[C@@H](C)C1 ZINC000040669582 174367942 /nfs/dbraw/zinc/36/79/42/174367942.db2.gz ONHRTZUPIYHNPH-UKRRQHHQSA-N 1 0 270.417 2.040 10 0 CEAERO COc1cc([C@@H](C)[NH2+][C@@H]2CCCN(C)C2)ccc1O ZINC000040672152 174370366 /nfs/dbraw/zinc/37/03/66/174370366.db2.gz FVBFYQZIJNXGAW-DGCLKSJQSA-N 1 0 264.369 2.146 10 0 CEAERO C[N@@H+]1CCC[C@H](Nc2cc3ccccc3c(=O)[nH]2)C1 ZINC000040673351 174371948 /nfs/dbraw/zinc/37/19/48/174371948.db2.gz NXBHUCBLPOREIZ-LBPRGKRZSA-N 1 0 257.337 2.034 10 0 CEAERO CCN(CC)C(=O)c1cc(N[C@@H]2CCC[N@H+](C)C2)ccn1 ZINC000040673459 174372289 /nfs/dbraw/zinc/37/22/89/174372289.db2.gz BVQTVGISSFZRJM-CQSZACIVSA-N 1 0 290.411 2.070 10 0 CEAERO [NH3+][C@@H](CCO)c1nc2cc(Cl)ccc2n1C1CC1 ZINC000040710319 174380540 /nfs/dbraw/zinc/38/05/40/174380540.db2.gz DALYQZQTLVLNIJ-JTQLQIEISA-N 1 0 265.744 2.407 10 0 CEAERO COc1ccc(NC(=O)CCC[N@@H+]2CC[C@H](C)C2)c(N)c1 ZINC000040716835 174384005 /nfs/dbraw/zinc/38/40/05/174384005.db2.gz GPGDPZRSMLKFCX-LBPRGKRZSA-N 1 0 291.395 2.338 10 0 CEAERO COc1ccc(N)cc1NC(=O)CCC[N@@H+]1CC[C@@H](C)C1 ZINC000040716830 174384302 /nfs/dbraw/zinc/38/43/02/174384302.db2.gz NDWHQAOUXSHMLW-GFCCVEGCSA-N 1 0 291.395 2.338 10 0 CEAERO C[C@@H]1CC(=O)N(C[C@@H]([NH3+])c2cccc3ccccc32)C1=O ZINC000040739845 174390553 /nfs/dbraw/zinc/39/05/53/174390553.db2.gz ZMRDTPQECKMMNE-IAQYHMDHSA-N 1 0 282.343 2.235 10 0 CEAERO CN(Cc1ccc2c(c1)OCO2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746490 174391551 /nfs/dbraw/zinc/39/15/51/174391551.db2.gz NGNZYKSIYKXGHI-PBWFPOADSA-N 1 0 274.364 2.130 10 0 CEAERO CCN(Cc1nc(C(C)C)no1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748329 174393070 /nfs/dbraw/zinc/39/30/70/174393070.db2.gz PORJNAAAJFBCBX-FUNVUKJBSA-N 1 0 278.400 2.298 10 0 CEAERO CCCCNC(=O)N(CCC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747971 174393076 /nfs/dbraw/zinc/39/30/76/174393076.db2.gz WQPRHSHVWLNEIZ-PBWFPOADSA-N 1 0 267.417 2.491 10 0 CEAERO CCN(CC(=O)NC1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748307 174393083 /nfs/dbraw/zinc/39/30/83/174393083.db2.gz VFPPACHJAHXYAW-XYPWUTKMSA-N 1 0 293.455 2.040 10 0 CEAERO CCCN(Cc1cc(C)on1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748624 174393959 /nfs/dbraw/zinc/39/39/59/174393959.db2.gz NSICILVOVKOJER-NNQSOWQGSA-N 1 0 263.385 2.478 10 0 CEAERO COc1ccccc1NC(=O)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749792 174394535 /nfs/dbraw/zinc/39/45/35/174394535.db2.gz CYICXFMOTKVRJF-YOGCLGLASA-N 1 0 275.352 2.181 10 0 CEAERO COc1ccc(F)cc1CN1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750124 174395024 /nfs/dbraw/zinc/39/50/24/174395024.db2.gz XUMLUJLVEOTNRG-AGUYFDCRSA-N 1 0 264.344 2.288 10 0 CEAERO CN(C)Nc1[nH+]cnc(Nc2ccc(F)c(Cl)c2)c1N ZINC000040760071 174396713 /nfs/dbraw/zinc/39/67/13/174396713.db2.gz IRTBCMHFLFSEJM-UHFFFAOYSA-N 1 0 296.737 2.483 10 0 CEAERO CO[C@H]1CCCC[C@H]1[NH2+]CCN1CCCCCC1 ZINC000040767926 174398221 /nfs/dbraw/zinc/39/82/21/174398221.db2.gz GVEKRLKTUDZPCR-CABCVRRESA-N 1 0 254.418 2.410 10 0 CEAERO CC(C)C[C@H](CO)[NH2+]C[C@@H](O)CO[C@@H](C)c1ccccc1 ZINC000040777120 174403144 /nfs/dbraw/zinc/40/31/44/174403144.db2.gz INDVQJFUHVZDPX-USXIJHARSA-N 1 0 295.423 2.122 10 0 CEAERO CC(C)(C)NNc1[nH+]cnc(-n2cnc3ccccc32)c1N ZINC000040796742 174408151 /nfs/dbraw/zinc/40/81/51/174408151.db2.gz BORNEVZORNDHML-UHFFFAOYSA-N 1 0 297.366 2.113 10 0 CEAERO [NH3+][C@H]1CCCN(C(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000041028745 174453483 /nfs/dbraw/zinc/45/34/83/174453483.db2.gz KGEZILJLEQYEKM-IXUJDMMCSA-N 1 0 277.412 2.088 10 0 CEAERO C[C@H]1CCC[C@]([NH3+])(c2nc(-c3cccnc3)no2)C1 ZINC000041035577 174458110 /nfs/dbraw/zinc/45/81/10/174458110.db2.gz HKBVLXNMXYEHNX-IINYFYTJSA-N 1 0 258.325 2.496 10 0 CEAERO [NH3+]C1CCC(C(=O)N2CCC[C@H](CCF)C2)CC1 ZINC000662881437 414786850 /nfs/dbraw/zinc/78/68/50/414786850.db2.gz YZIZPCGVIUNENN-PNESKVBLSA-N 1 0 256.365 2.102 10 0 CEAERO C[C@H]1C[NH2+]C(C)(C)CN1CCc1ccccc1F ZINC000041307367 174516154 /nfs/dbraw/zinc/51/61/54/174516154.db2.gz WNOQHSMFNFSYFN-LBPRGKRZSA-N 1 0 250.361 2.441 10 0 CEAERO COc1cccc(OC)c1OCC[NH2+]CC(C)C ZINC000041323497 174520298 /nfs/dbraw/zinc/52/02/98/174520298.db2.gz BZMWNCCWDPPLGB-UHFFFAOYSA-N 1 0 253.342 2.328 10 0 CEAERO O[C@H]1CC[NH2+][C@@H](c2cccc(Br)c2)C1 ZINC000041326341 174522840 /nfs/dbraw/zinc/52/28/40/174522840.db2.gz OSMTWQRMZMZHEN-WDEREUQCSA-N 1 0 256.143 2.235 10 0 CEAERO CC(C)Oc1ncccc1CN[C@@H]1CCC[NH2+]CC1 ZINC000129182295 414810603 /nfs/dbraw/zinc/81/06/03/414810603.db2.gz LLAXGLWJPRROKY-CQSZACIVSA-N 1 0 263.385 2.101 10 0 CEAERO CN(C(=O)c1cccc(F)c1Cl)[C@@H](C[NH3+])C(F)(F)F ZINC000662978949 414816512 /nfs/dbraw/zinc/81/65/12/414816512.db2.gz JZFDLZKLYSVAJJ-QMMMGPOBSA-N 1 0 298.667 2.441 10 0 CEAERO OCC[N@H+](C[C@H]1CCC[C@@H](O)C1)C1CCCCC1 ZINC000311097111 414857223 /nfs/dbraw/zinc/85/72/23/414857223.db2.gz JJDFUAILOIARMH-DZGCQCFKSA-N 1 0 255.402 2.165 10 0 CEAERO COc1cc(F)cc(C[NH2+][C@H]2CCC[C@@H](O)C2)c1 ZINC000312250819 414862675 /nfs/dbraw/zinc/86/26/75/414862675.db2.gz BFWRUKFNMRNSEG-QWHCGFSZSA-N 1 0 253.317 2.227 10 0 CEAERO CC1(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CCCC1 ZINC000042187996 174653210 /nfs/dbraw/zinc/65/32/10/174653210.db2.gz GCBKXTPMOBBYLW-AVGNSLFASA-N 1 0 250.386 2.356 10 0 CEAERO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1c(C)nc(C)[nH]c1=O ZINC000042554337 174791854 /nfs/dbraw/zinc/79/18/54/174791854.db2.gz JOMTYOLTHYEQDZ-AEJSXWLSSA-N 1 0 251.374 2.472 10 0 CEAERO CC[C@H]([NH2+]C[C@H](O)COCc1ccco1)C(C)C ZINC000042588867 174810433 /nfs/dbraw/zinc/81/04/33/174810433.db2.gz WEHJUHFASSQCAK-JSGCOSHPSA-N 1 0 255.358 2.181 10 0 CEAERO CN1C[C@H](C[NH2+]C2CCC(C3CCC3)CC2)CC1=O ZINC000657697919 415053177 /nfs/dbraw/zinc/05/31/77/415053177.db2.gz XJWFKCJNWHZAKH-GRTSSRMGSA-N 1 0 264.413 2.413 10 0 CEAERO Cc1oc2ccccc2c1C[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000657697086 415053604 /nfs/dbraw/zinc/05/36/04/415053604.db2.gz ZWHUIDWKLIOZEX-GFCCVEGCSA-N 1 0 272.348 2.309 10 0 CEAERO CCC(CC)N(CCOC)C(=O)[C@H]1CC[C@H](C)[NH2+]C1 ZINC000042681622 174836533 /nfs/dbraw/zinc/83/65/33/174836533.db2.gz PBPZAGHYLNFTJM-STQMWFEESA-N 1 0 270.417 2.038 10 0 CEAERO CCCn1c(C[NH2+]C2CC(CO)C2)nc2ccccc21 ZINC000657812347 415089567 /nfs/dbraw/zinc/08/95/67/415089567.db2.gz JEAGSUOHQZWASD-UHFFFAOYSA-N 1 0 273.380 2.307 10 0 CEAERO OCC1CC([NH2+]Cc2ccc(F)cc2Br)C1 ZINC000657812334 415090517 /nfs/dbraw/zinc/09/05/17/415090517.db2.gz ILRUARZNXUAPNW-UHFFFAOYSA-N 1 0 288.160 2.449 10 0 CEAERO COc1ccc([C@@H](C[NH3+])Sc2nccn2C)cc1 ZINC000042964292 174928261 /nfs/dbraw/zinc/92/82/61/174928261.db2.gz COZASPIXXRTHQR-GFCCVEGCSA-N 1 0 263.366 2.221 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1cccc(F)c1)N(C)Cc1cnn(C)c1 ZINC000042972589 174935995 /nfs/dbraw/zinc/93/59/95/174935995.db2.gz YLVCVYLFPVVZFX-JKSUJKDBSA-N 1 0 290.386 2.470 10 0 CEAERO CCCCOC[C@@H](O)C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000653812033 415115902 /nfs/dbraw/zinc/11/59/02/415115902.db2.gz ADJHVQPLJSVWHB-HOCLYGCPSA-N 1 0 285.428 2.198 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1cccs1)n1nnc(-c2ccccc2)n1 ZINC000043107186 174973244 /nfs/dbraw/zinc/97/32/44/174973244.db2.gz GHEXVQYMLHBFQR-GWCFXTLKSA-N 1 0 285.376 2.338 10 0 CEAERO C[C@H]([NH3+])[C@H](Oc1ccc(C(N)=O)cc1)c1ccsc1 ZINC000043125226 174977430 /nfs/dbraw/zinc/97/74/30/174977430.db2.gz RNTHCMQODKYGHL-ZANVPECISA-N 1 0 276.361 2.314 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1cnn(C)c1)N(C)Cc1cccc(F)c1 ZINC000043126849 174978770 /nfs/dbraw/zinc/97/87/70/174978770.db2.gz WVINLYVSBWDXOQ-HZPDHXFCSA-N 1 0 290.386 2.470 10 0 CEAERO CCOc1ccccc1O[C@@H](c1cnn(C)c1)[C@@H](C)[NH3+] ZINC000043233464 174986282 /nfs/dbraw/zinc/98/62/82/174986282.db2.gz IFVMXVCOZVTQJW-IAQYHMDHSA-N 1 0 275.352 2.286 10 0 CEAERO C[C@@H]([NH3+])[C@H](Oc1ccc2c(c1)CCC2)c1cnn(C)c1 ZINC000043235423 174987022 /nfs/dbraw/zinc/98/70/22/174987022.db2.gz NGYOURZOILQLIF-BZNIZROVSA-N 1 0 271.364 2.376 10 0 CEAERO Cc1ccsc1[C@H](C[NH3+])Oc1ccc(C(N)=O)cc1 ZINC000043250059 174993764 /nfs/dbraw/zinc/99/37/64/174993764.db2.gz CWWUXKDTHPEEKS-LBPRGKRZSA-N 1 0 276.361 2.234 10 0 CEAERO C[C@H]([NH3+])[C@@H](N1CCN(c2nccs2)CC1)C(C)(C)C ZINC000043291824 174997295 /nfs/dbraw/zinc/99/72/95/174997295.db2.gz QHCSJPOMZDTSFP-NWDGAFQWSA-N 1 0 282.457 2.027 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1nc(C)cc(=O)[nH]1)C(C)(C)C ZINC000043297583 174998666 /nfs/dbraw/zinc/99/86/66/174998666.db2.gz UYZROGAHIZDRJG-KOLCDFICSA-N 1 0 269.414 2.322 10 0 CEAERO [NH3+][C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043299976 175000732 /nfs/dbraw/zinc/00/07/32/175000732.db2.gz NBZSYMMJUZUFBA-GZMMTYOYSA-N 1 0 294.203 2.428 10 0 CEAERO CC[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300806 175001385 /nfs/dbraw/zinc/00/13/85/175001385.db2.gz YECNAPJXNOUTNK-DGCLKSJQSA-N 1 0 287.812 2.425 10 0 CEAERO CC[NH2+][C@@H](c1ccc(C)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043301044 175002189 /nfs/dbraw/zinc/00/21/89/175002189.db2.gz LLBKZBYUAXVOAB-GJZGRUSLSA-N 1 0 281.421 2.389 10 0 CEAERO CCN(CC)CC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000043324183 175006458 /nfs/dbraw/zinc/00/64/58/175006458.db2.gz OVWOFADGIWWFIE-CQSZACIVSA-N 1 0 299.459 2.317 10 0 CEAERO O=C(Nc1ccc(N[C@@H]2CCC[NH2+]C2)cc1)C1CC1 ZINC000043324731 175006998 /nfs/dbraw/zinc/00/69/98/175006998.db2.gz MUJYSHRWSRTGHY-CQSZACIVSA-N 1 0 259.353 2.199 10 0 CEAERO Clc1cc2c(cc1N[C@@H]1CCC[NH2+]C1)OCCO2 ZINC000043325772 175007466 /nfs/dbraw/zinc/00/74/66/175007466.db2.gz BVYXMKGQLNFMEC-SECBINFHSA-N 1 0 268.744 2.275 10 0 CEAERO Cc1noc(-c2ccccc2N[C@H]2CCC[NH2+]C2)n1 ZINC000043325873 175007713 /nfs/dbraw/zinc/00/77/13/175007713.db2.gz OOJBCBOTXIHYHG-NSHDSACASA-N 1 0 258.325 2.209 10 0 CEAERO COCCN([C@H](C)C1CC1)[C@@H](c1ccco1)[C@@H](C)[NH3+] ZINC000043336232 175012342 /nfs/dbraw/zinc/01/23/42/175012342.db2.gz FPPSRDQBVATELK-LALPHHSUSA-N 1 0 266.385 2.415 10 0 CEAERO CC(=O)Nc1ccccc1O[C@H](C[NH3+])c1ccco1 ZINC000043337048 175012425 /nfs/dbraw/zinc/01/24/25/175012425.db2.gz ZAWFVWDFRHNBAO-CQSZACIVSA-N 1 0 260.293 2.317 10 0 CEAERO C[C@H]([NH3+])[C@@H](Oc1cccc(S(C)(=O)=O)c1)c1ccco1 ZINC000043337851 175012817 /nfs/dbraw/zinc/01/28/17/175012817.db2.gz LARCWPACZXGZNY-IINYFYTJSA-N 1 0 295.360 2.150 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccccn1)N(CCO)C1CCCC1 ZINC000043340869 175014652 /nfs/dbraw/zinc/01/46/52/175014652.db2.gz MQLJJXPKMPVGQQ-HOCLYGCPSA-N 1 0 277.412 2.097 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccccn1)N(CCO)C1CCCCC1 ZINC000043340853 175014807 /nfs/dbraw/zinc/01/48/07/175014807.db2.gz QBCOUFXXIUMOAL-DOTOQJQBSA-N 1 0 291.439 2.487 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](OC1CCOCC1)c1ccccn1 ZINC000043344038 175016442 /nfs/dbraw/zinc/01/64/42/175016442.db2.gz WHWHOTQFLAHBDF-TZMCWYRMSA-N 1 0 250.342 2.056 10 0 CEAERO CC[C@H]([NH3+])[C@@H](OC1CCOCC1)c1ccccn1 ZINC000043344036 175016453 /nfs/dbraw/zinc/01/64/53/175016453.db2.gz WHWHOTQFLAHBDF-GXTWGEPZSA-N 1 0 250.342 2.056 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cccnc1)N(C)CC(F)(F)F ZINC000043347076 175017383 /nfs/dbraw/zinc/01/73/83/175017383.db2.gz DLYYZDYAGWPIJR-MNOVXSKESA-N 1 0 261.291 2.354 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cccnc1)N(CC)[C@@H](C)COC ZINC000043348598 175018465 /nfs/dbraw/zinc/01/84/65/175018465.db2.gz WMYHMTWHBOQFKV-CFVMTHIKSA-N 1 0 265.401 2.217 10 0 CEAERO C[C@H]([NH3+])[C@H](OCc1ccc2c(c1)OCO2)c1cccnc1 ZINC000043350260 175019370 /nfs/dbraw/zinc/01/93/70/175019370.db2.gz BEBSFAXJODBSEA-ZBEGNZNMSA-N 1 0 286.331 2.415 10 0 CEAERO C[C@@H]([NH3+])[C@@H](OCc1ccc2c(c1)OCO2)c1cccnc1 ZINC000043350266 175019438 /nfs/dbraw/zinc/01/94/38/175019438.db2.gz BEBSFAXJODBSEA-BDJLRTHQSA-N 1 0 286.331 2.415 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Oc1ccc(CO)cc1)c1cccnc1 ZINC000043351438 175019924 /nfs/dbraw/zinc/01/99/24/175019924.db2.gz TWHVWIOJEVVUEL-CVEARBPZSA-N 1 0 272.348 2.431 10 0 CEAERO C[C@H]([NH3+])[C@H](c1ccncc1)N(C)CCc1ccccn1 ZINC000043353156 175020170 /nfs/dbraw/zinc/02/01/70/175020170.db2.gz BTZKELTVFORBMN-XJKSGUPXSA-N 1 0 270.380 2.039 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccncc1)N(CC)C[C@@H]1CCCO1 ZINC000043354170 175021499 /nfs/dbraw/zinc/02/14/99/175021499.db2.gz AMEGNUVCBJWMAO-ARFHVFGLSA-N 1 0 277.412 2.361 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccncc1)N(CC)[C@@H](C)COC ZINC000043354803 175022489 /nfs/dbraw/zinc/02/24/89/175022489.db2.gz XJNBPESUQILRFF-AEGPPILISA-N 1 0 265.401 2.217 10 0 CEAERO CCc1c(C)nn([C@H](c2ccncc2)[C@H](C)[NH3+])c1C ZINC000043355010 175023163 /nfs/dbraw/zinc/02/31/63/175023163.db2.gz KDURJCHLFDDAQF-BONVTDFDSA-N 1 0 258.369 2.394 10 0 CEAERO CC[C@H]([NH3+])[C@H](OC[C@@H]1CCCCO1)c1ccncc1 ZINC000043355695 175023216 /nfs/dbraw/zinc/02/32/16/175023216.db2.gz RXLBKWMXQVRHTQ-SOUVJXGZSA-N 1 0 264.369 2.446 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)N1CCSCC1 ZINC000043363940 175024843 /nfs/dbraw/zinc/02/48/43/175024843.db2.gz LJJAPHZVCUHKGY-AAEUAGOBSA-N 1 0 254.399 2.415 10 0 CEAERO CCCCOCCO[C@H]([C@@H]([NH3+])CC)C(F)(F)F ZINC000043384728 175031609 /nfs/dbraw/zinc/03/16/09/175031609.db2.gz VFRQIHHLPSZPMQ-VHSXEESVSA-N 1 0 257.296 2.488 10 0 CEAERO COc1cccc(CO[C@@H]([C@@H](C)[NH3+])C(F)(F)F)c1 ZINC000043384465 175031860 /nfs/dbraw/zinc/03/18/60/175031860.db2.gz QWSNCHUOBVHYEJ-KCJUWKMLSA-N 1 0 263.259 2.490 10 0 CEAERO C[NH2+][C@@H](c1ccc(Cl)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043389109 175033065 /nfs/dbraw/zinc/03/30/65/175033065.db2.gz UBFWWMZWYDNIHD-CABZTGNLSA-N 1 0 291.775 2.174 10 0 CEAERO COc1ccc(CCNc2cc(N)cc[nH+]2)cc1OC ZINC000043568279 175067479 /nfs/dbraw/zinc/06/74/79/175067479.db2.gz AJNCUYLZCHPEAJ-UHFFFAOYSA-N 1 0 273.336 2.336 10 0 CEAERO C[NH2+]CCC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000043604036 175077578 /nfs/dbraw/zinc/07/75/78/175077578.db2.gz OOTRYEWBAZMCAZ-LBPRGKRZSA-N 1 0 260.381 2.352 10 0 CEAERO CCn1c([C@H]2C[NH2+]CCO2)nc2cccc(Cl)c21 ZINC000043705128 175099283 /nfs/dbraw/zinc/09/92/83/175099283.db2.gz XDWBWVNAZLRWJX-LLVKDONJSA-N 1 0 265.744 2.371 10 0 CEAERO CCC[NH2+][C@H]1CCOC[C@@H]1N1C[C@H](C)C[C@H](C)C1 ZINC000043805175 175107687 /nfs/dbraw/zinc/10/76/87/175107687.db2.gz IVQQYHTWDAOCSL-XGUBFFRZSA-N 1 0 254.418 2.121 10 0 CEAERO CCN(CC)C[C@@H]([NH2+]C)c1ccc2c(c1)OCCCO2 ZINC000043809021 175109720 /nfs/dbraw/zinc/10/97/20/175109720.db2.gz KHCLHSTXVFVUQY-CQSZACIVSA-N 1 0 278.396 2.450 10 0 CEAERO C[NH2+][C@H]1CCCCCC[C@H]1N1C[C@@H](C)O[C@@H](C)C1 ZINC000043811296 175110110 /nfs/dbraw/zinc/11/01/10/175110110.db2.gz AWGSKXQCQMJCBY-LJISPDSOSA-N 1 0 254.418 2.406 10 0 CEAERO CC[NH2+][C@@H]1CCCCC[C@@H]1N1C[C@@H](C)O[C@@H](C)C1 ZINC000043811481 175110879 /nfs/dbraw/zinc/11/08/79/175110879.db2.gz GCAVOAQLPVBVFK-BARDWOONSA-N 1 0 254.418 2.406 10 0 CEAERO CC[NH2+][C@@H](CN1C[C@@H](C)O[C@@H](C)C1)c1ccc(OC)cc1 ZINC000043811509 175111348 /nfs/dbraw/zinc/11/13/48/175111348.db2.gz NGKIWZREPHPOQV-VBQJREDUSA-N 1 0 292.423 2.455 10 0 CEAERO C[NH2+][C@@H]1CCC2(C[C@@H]1N(C)C1CCCCC1)OCCO2 ZINC000043815015 175111829 /nfs/dbraw/zinc/11/18/29/175111829.db2.gz KYALIEXRPOKIDZ-CABCVRRESA-N 1 0 282.428 2.135 10 0 CEAERO C[NH2+][C@H](CN1CCCCC1)c1cc(OC)ccc1OC ZINC000043813977 175111913 /nfs/dbraw/zinc/11/19/13/175111913.db2.gz AGLXMZOZBJGKBP-OAHLLOKOSA-N 1 0 278.396 2.450 10 0 CEAERO CC[NH2+][C@@H](CN(C)C)c1ccc2c(c1)OCCCO2 ZINC000043816094 175112532 /nfs/dbraw/zinc/11/25/32/175112532.db2.gz BMIVJSCVCXEPIA-ZDUSSCGKSA-N 1 0 264.369 2.060 10 0 CEAERO CCOc1ccccc1[C@@H](CN1CCOC[C@@H]1C)[NH2+]C ZINC000043891158 175118080 /nfs/dbraw/zinc/11/80/80/175118080.db2.gz BXMZDAHPOMFTSS-DZGCQCFKSA-N 1 0 278.396 2.067 10 0 CEAERO CC[NH2+][C@H](CN1CCOC[C@@H]1C)c1cccc(OC)c1 ZINC000043891476 175118198 /nfs/dbraw/zinc/11/81/98/175118198.db2.gz OCEYZBKIUGOJQM-XJKSGUPXSA-N 1 0 278.396 2.067 10 0 CEAERO CC[NH2+][C@H](CN1CCOC[C@@H]1C)c1ccccc1C ZINC000043891500 175118247 /nfs/dbraw/zinc/11/82/47/175118247.db2.gz WVDUQHSALBVFLJ-GOEBONIOSA-N 1 0 262.397 2.366 10 0 CEAERO CC[C@@H]([C@H]([NH2+]C)c1ccccc1)N1CCOC[C@@H]1C ZINC000043891236 175118287 /nfs/dbraw/zinc/11/82/87/175118287.db2.gz QJEXSBSTSQLROR-CWRNSKLLSA-N 1 0 262.397 2.446 10 0 CEAERO CC[C@@H]1CN([C@@H]2CCc3ccccc3[C@@H]2[NH2+]C)CCO1 ZINC000043892954 175118635 /nfs/dbraw/zinc/11/86/35/175118635.db2.gz JVNYOPVFEKMMMH-OIISXLGYSA-N 1 0 274.408 2.373 10 0 CEAERO CCC[NH2+][C@@H]1c2ccccc2OC[C@@H]1N1CCOC[C@@H]1C ZINC000043891910 175118724 /nfs/dbraw/zinc/11/87/24/175118724.db2.gz GJDCCPWEKXLHBS-JLJPHGGASA-N 1 0 290.407 2.209 10 0 CEAERO CCC[NH2+][C@@H]1c2ccccc2C[C@H]1N1CCOC[C@@H]1C ZINC000043891825 175118753 /nfs/dbraw/zinc/11/87/53/175118753.db2.gz ALDQNSSGSXJROF-IAOVAPTHSA-N 1 0 274.408 2.373 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2C[C@H]1N(C)Cc1cccnc1 ZINC000043893466 175118883 /nfs/dbraw/zinc/11/88/83/175118883.db2.gz FGNBVOXCJGDPIS-IAGOWNOFSA-N 1 0 267.376 2.399 10 0 CEAERO C[NH2+][C@H](CN(C)C1CCOCC1)c1cccc(OC)c1 ZINC000043898183 175121215 /nfs/dbraw/zinc/12/12/15/175121215.db2.gz VHYVCJVITYHYNM-MRXNPFEDSA-N 1 0 278.396 2.067 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2C[C@@H]1N(C)C1CCOCC1 ZINC000043898414 175121428 /nfs/dbraw/zinc/12/14/28/175121428.db2.gz AJDSOEVYDSOEBZ-DLBZAZTESA-N 1 0 274.408 2.373 10 0 CEAERO CCOC1CCN(C[C@@H]([NH2+]C)c2ccccc2)CC1 ZINC000043906860 175122913 /nfs/dbraw/zinc/12/29/13/175122913.db2.gz RMNXFXRMNOPKMI-MRXNPFEDSA-N 1 0 262.397 2.448 10 0 CEAERO C[NH2+][C@@H](CN(CCOC)CCOC)c1cc(C)ccc1C ZINC000043912537 175123628 /nfs/dbraw/zinc/12/36/28/175123628.db2.gz BJAAMKABMFYALF-KRWDZBQOSA-N 1 0 294.439 2.159 10 0 CEAERO CC[NH2+][C@@H]1CCCCCC[C@@H]1N(CCOC)CCOC ZINC000043912742 175124439 /nfs/dbraw/zinc/12/44/39/175124439.db2.gz LEMGIJRXHLYMLQ-CVEARBPZSA-N 1 0 286.460 2.282 10 0 CEAERO CCC[NH2+][C@H]1CCCCC[C@@H]1N(CCOC)CCOC ZINC000043912898 175124458 /nfs/dbraw/zinc/12/44/58/175124458.db2.gz HMEYUYYFRXHLSC-HOTGVXAUSA-N 1 0 286.460 2.282 10 0 CEAERO CCc1ccc([C@@H](CN(C)CCOC)[NH2+]C)cc1 ZINC000043915549 175125147 /nfs/dbraw/zinc/12/51/47/175125147.db2.gz LEOSMKOASNGNNF-OAHLLOKOSA-N 1 0 250.386 2.088 10 0 CEAERO CC[NH2+][C@H](CN1CCOCC1(C)C)c1ccccc1 ZINC000043916921 175125741 /nfs/dbraw/zinc/12/57/41/175125741.db2.gz ATKVFKSTFLIRRW-OAHLLOKOSA-N 1 0 262.397 2.448 10 0 CEAERO CCN(C[C@@H]1CCCO1)[C@@H]1COc2ccccc2[C@@H]1[NH2+]C ZINC000043966811 175127888 /nfs/dbraw/zinc/12/78/88/175127888.db2.gz XXOHOWAIUZKHMY-LXZKKBNFSA-N 1 0 290.407 2.209 10 0 CEAERO CCC[NH2+][C@H]1CCCC[C@@H]1N(C)C[C@@H]1CCCO1 ZINC000043966304 175127975 /nfs/dbraw/zinc/12/79/75/175127975.db2.gz KSFZIOVEZWEBNB-KKUMJFAQSA-N 1 0 254.418 2.408 10 0 CEAERO CC[NH2+][C@@H]1CCOC[C@H]1N(C)C1CCC(C)CC1 ZINC000043967029 175128103 /nfs/dbraw/zinc/12/81/03/175128103.db2.gz NYXKTMKOGSFVRR-NEXFUWMNSA-N 1 0 254.418 2.264 10 0 CEAERO CCC[NH2+][C@@H](CN(C)Cc1cnn(C)c1)C(C)(C)C ZINC000043967295 175128588 /nfs/dbraw/zinc/12/85/88/175128588.db2.gz MGTIYPJSPXEFBE-AWEZNQCLSA-N 1 0 266.433 2.266 10 0 CEAERO CC[NH2+][C@H](CN(CC)CCOC)c1ccc2c(c1)OCO2 ZINC000043968650 175129439 /nfs/dbraw/zinc/12/94/39/175129439.db2.gz BVCJHDKYIUKYJE-CQSZACIVSA-N 1 0 294.395 2.034 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2OC[C@H]1N(CC)CCOC ZINC000043968704 175129686 /nfs/dbraw/zinc/12/96/86/175129686.db2.gz LZOIUMZTSKXZFN-ZBFHGGJFSA-N 1 0 278.396 2.067 10 0 CEAERO CC(C)N1C[C@H](c2ccccc2)[C@]2(CCC[NH2+]C2)C1=O ZINC000044137296 175145991 /nfs/dbraw/zinc/14/59/91/175145991.db2.gz ANBVRIIDNHGRHX-NVXWUHKLSA-N 1 0 272.392 2.391 10 0 CEAERO COCC[NH+](CCOC)C[C@@H](O)c1c(C)cc(C)cc1C ZINC000044176902 175149849 /nfs/dbraw/zinc/14/98/49/175149849.db2.gz IOIBEPYYZVSBKD-MRXNPFEDSA-N 1 0 295.423 2.240 10 0 CEAERO COc1ccc(F)cc1CN1CCC[C@@H](C[NH3+])C1 ZINC000044529536 175194277 /nfs/dbraw/zinc/19/42/77/175194277.db2.gz KOQHDCIJGWWROZ-NSHDSACASA-N 1 0 252.333 2.005 10 0 CEAERO COc1cc(CN2CCCC[C@H]2C[NH3+])cc(OC)c1 ZINC000044539783 175200897 /nfs/dbraw/zinc/20/08/97/175200897.db2.gz LFXKHVJLHFRZJG-ZDUSSCGKSA-N 1 0 264.369 2.017 10 0 CEAERO CCC[NH2+][C@@H]1CCCc2cc(OCCOCCO)ccc21 ZINC000044745701 175241881 /nfs/dbraw/zinc/24/18/81/175241881.db2.gz FTTJSUWCIZNIIV-QGZVFWFLSA-N 1 0 293.407 2.451 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000044797982 175254620 /nfs/dbraw/zinc/25/46/20/175254620.db2.gz YRWVJCRBAWVQDM-JTQLQIEISA-N 1 0 296.367 2.026 10 0 CEAERO Cc1cccnc1NC(=O)[C@H](C[NH3+])Cc1ccccc1 ZINC000044799305 175255628 /nfs/dbraw/zinc/25/56/28/175255628.db2.gz ZOUMDUJSEKDGEQ-AWEZNQCLSA-N 1 0 269.348 2.146 10 0 CEAERO CC[C@@H](C)N(CC)C(=O)[C@@H](C[NH3+])Cc1ccccc1 ZINC000044800648 175255680 /nfs/dbraw/zinc/25/56/80/175255680.db2.gz UCZYTBPMQUYEEH-UKRRQHHQSA-N 1 0 262.397 2.451 10 0 CEAERO CNC(=O)CC[NH2+]C1CCC(c2ccccc2)CC1 ZINC000044987552 175284919 /nfs/dbraw/zinc/28/49/19/175284919.db2.gz FXNBUCIWLZDAHY-UHFFFAOYSA-N 1 0 260.381 2.439 10 0 CEAERO CC1(NS(=O)(=O)Cc2ccc(C[NH3+])cc2)CCCCC1 ZINC000045046343 175296085 /nfs/dbraw/zinc/29/60/85/175296085.db2.gz OMRCFJUGZODYLP-UHFFFAOYSA-N 1 0 296.436 2.288 10 0 CEAERO CC[N@H+](CC(N)=S)Cc1ccc2ccccc2n1 ZINC000045063357 175299099 /nfs/dbraw/zinc/29/90/99/175299099.db2.gz UHOVTKZNCAJDAM-UHFFFAOYSA-N 1 0 259.378 2.343 10 0 CEAERO Cc1sc2[nH]c(C[NH2+][C@H]3CC3(C)C)nc(=O)c2c1C ZINC000045119877 175312233 /nfs/dbraw/zinc/31/22/33/175312233.db2.gz GHHCKFBCSMCNRB-VIFPVBQESA-N 1 0 277.393 2.490 10 0 CEAERO Cn1ccnc1CCn1c(N)[nH+]c2cccc(Cl)c21 ZINC000045135998 175313402 /nfs/dbraw/zinc/31/34/02/175313402.db2.gz IGNUOZQTTBQJMP-UHFFFAOYSA-N 1 0 275.743 2.248 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+][C@H]2CN3CCC2CC3)c1C ZINC000045167588 175319238 /nfs/dbraw/zinc/31/92/38/175319238.db2.gz GPTJMFPNTZGMFR-ABAIWWIYSA-N 1 0 276.428 2.265 10 0 CEAERO Cc1nn(C)c(C)c1[C@H](C)NC[C@H](C(C)C)[NH+](C)C ZINC000045168599 175319776 /nfs/dbraw/zinc/31/97/76/175319776.db2.gz PQNKYVJELFKJTK-SMDDNHRTSA-N 1 0 266.433 2.274 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)NC[C@H](C(C)C)[NH+](C)C ZINC000045168597 175320064 /nfs/dbraw/zinc/32/00/64/175320064.db2.gz PQNKYVJELFKJTK-BXUZGUMPSA-N 1 0 266.433 2.274 10 0 CEAERO CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000045171020 175320257 /nfs/dbraw/zinc/32/02/57/175320257.db2.gz MCOKBJYUDROAKX-WCQYABFASA-N 1 0 294.443 2.427 10 0 CEAERO CCN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1c(C)nn(CC)c1C ZINC000045171017 175320385 /nfs/dbraw/zinc/32/03/85/175320385.db2.gz MCOKBJYUDROAKX-DGCLKSJQSA-N 1 0 294.443 2.427 10 0 CEAERO CCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1c(C)nn(CC)c1C ZINC000045170278 175320608 /nfs/dbraw/zinc/32/06/08/175320608.db2.gz GUFBQSLKSICXFV-ZYHUDNBSSA-N 1 0 280.416 2.085 10 0 CEAERO CCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000045170276 175320713 /nfs/dbraw/zinc/32/07/13/175320713.db2.gz GUFBQSLKSICXFV-JQWIXIFHSA-N 1 0 280.416 2.085 10 0 CEAERO Cc1nn(C)c(C)c1[C@H](C)[NH2+]CC[C@H]1CCCO1 ZINC000045172047 175321678 /nfs/dbraw/zinc/32/16/78/175321678.db2.gz ANLOCDRPFQOPMQ-GXFFZTMASA-N 1 0 251.374 2.257 10 0 CEAERO CCCN[C@](C)(CC[N@@H+]1CCC[C@@H]1CC)C(=O)OC ZINC000045221314 175330127 /nfs/dbraw/zinc/33/01/27/175330127.db2.gz KYMNVUYIWDKYBA-DZGCQCFKSA-N 1 0 270.417 2.182 10 0 CEAERO CCN(CC[C@@](C)([NH2+]C(C)C)C(N)=O)c1ccccc1 ZINC000045232178 175335817 /nfs/dbraw/zinc/33/58/17/175335817.db2.gz PTKXTWKNRGAZJV-MRXNPFEDSA-N 1 0 277.412 2.145 10 0 CEAERO CCCN[C@@](C)(C[N@H+](CC)[C@@H](C)CC)C(=O)OC ZINC000045266450 175338962 /nfs/dbraw/zinc/33/89/62/175338962.db2.gz WTPSCWVZWNRIFN-JSGCOSHPSA-N 1 0 258.406 2.038 10 0 CEAERO CCC[N@H+](C[C@](NCC)(C(N)=O)c1ccccc1)C(C)C ZINC000045266709 175339335 /nfs/dbraw/zinc/33/93/35/175339335.db2.gz ICWXHAHNZVSURI-QGZVFWFLSA-N 1 0 291.439 2.097 10 0 CEAERO CCCN[C@](C[N@H+](CC)CCC)(C(N)=O)c1ccccc1 ZINC000045267466 175340140 /nfs/dbraw/zinc/34/01/40/175340140.db2.gz GMSNNYZNSWZQMJ-KRWDZBQOSA-N 1 0 291.439 2.099 10 0 CEAERO CCCCC[N@H+](C)CC[C@@](C)(NC(C)C)C(=O)OC ZINC000045268264 175340504 /nfs/dbraw/zinc/34/05/04/175340504.db2.gz JNMSRQRCLKHDAU-OAHLLOKOSA-N 1 0 272.433 2.428 10 0 CEAERO CCOC(=O)[C@@](C)(CC[N@H+](CC)C1CCCC1)NC ZINC000045269292 175340969 /nfs/dbraw/zinc/34/09/69/175340969.db2.gz TWTCHQXVSMMIBX-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CC[N@H+](CC[C@@](C)(NC1CC1)C(=O)OC)C1CCCC1 ZINC000045269335 175341595 /nfs/dbraw/zinc/34/15/95/175341595.db2.gz IGVFADNHILVYIF-MRXNPFEDSA-N 1 0 282.428 2.325 10 0 CEAERO CCOC(=O)[C@@](N)(C[N@H+](C)[C@@H](C)C1CC1)c1ccccc1 ZINC000045270185 175341922 /nfs/dbraw/zinc/34/19/22/175341922.db2.gz QZDHFYXMECMNEE-SUMWQHHRSA-N 1 0 290.407 2.134 10 0 CEAERO CCCC[N@H+](C[C@@](C)(NC1CC1)C(=O)OCC)C1CC1 ZINC000045276287 175346453 /nfs/dbraw/zinc/34/64/53/175346453.db2.gz FGPWEYKQPPJXTC-MRXNPFEDSA-N 1 0 282.428 2.325 10 0 CEAERO CC[NH2+][C@@](C)(CC[N@@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000045277391 175347103 /nfs/dbraw/zinc/34/71/03/175347103.db2.gz ONEOWTULMVTXIX-ZBFHGGJFSA-N 1 0 282.428 2.484 10 0 CEAERO COC(=O)[C@](C)(CC[N@H+](CC(C)C)C1CC1)NC(C)C ZINC000045277577 175347508 /nfs/dbraw/zinc/34/75/08/175347508.db2.gz SBTORAZOBDSIME-INIZCTEOSA-N 1 0 284.444 2.427 10 0 CEAERO CC[NH2+][C@@](C)(CC[N@H+](C)[C@@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000045279066 175349266 /nfs/dbraw/zinc/34/92/66/175349266.db2.gz ULRUJWPMODOJAX-GUTXKFCHSA-N 1 0 270.417 2.340 10 0 CEAERO CCOC(=O)[C@@](C)(C[N@H+](C)[C@@H](C)CC(C)C)NC1CC1 ZINC000045279979 175350122 /nfs/dbraw/zinc/35/01/22/175350122.db2.gz RZGMFAKPLDJCLO-XJKSGUPXSA-N 1 0 284.444 2.427 10 0 CEAERO CN[C@@](C)(CC[N@H+](C)C1CCC(C)CC1)C(=O)OC ZINC000045280598 175350380 /nfs/dbraw/zinc/35/03/80/175350380.db2.gz YZXSMRMYUGICCY-PIMMBPRGSA-N 1 0 270.417 2.038 10 0 CEAERO CN[C@@](C)(CC[N@H+](C)CC1CCCCC1)C(=O)OC ZINC000045281642 175352537 /nfs/dbraw/zinc/35/25/37/175352537.db2.gz VGTXDFJWUXILHA-HNNXBMFYSA-N 1 0 270.417 2.040 10 0 CEAERO CCCC[N@H+](CC[C@](C)([NH2+]C)C(=O)[O-])[C@@H](C)CC ZINC000045282593 175352745 /nfs/dbraw/zinc/35/27/45/175352745.db2.gz IVCIBOFFDXRJSH-JSGCOSHPSA-N 1 0 258.406 2.340 10 0 CEAERO CCN(CCCC[C@@](C)([NH3+])C(N)=O)c1ccccc1C ZINC000045369879 175363591 /nfs/dbraw/zinc/36/35/91/175363591.db2.gz DRPCBLVSRIHUCZ-MRXNPFEDSA-N 1 0 277.412 2.194 10 0 CEAERO CCN[C@@H](C[N@H+](CC)C1CCCCC1)C(=O)OCC ZINC000045372171 175364969 /nfs/dbraw/zinc/36/49/69/175364969.db2.gz YJAVAGUXQVQZAI-AWEZNQCLSA-N 1 0 270.417 2.182 10 0 CEAERO CCN[C@@](C)(CCCC[NH+]1CCCCC1)C(=O)OC ZINC000045378248 175367464 /nfs/dbraw/zinc/36/74/64/175367464.db2.gz RQYSTSKBHWDZME-HNNXBMFYSA-N 1 0 270.417 2.184 10 0 CEAERO CCOC(=O)[C@](C)(CCC[NH+]1CCCCC1)NC1CC1 ZINC000045378377 175367469 /nfs/dbraw/zinc/36/74/69/175367469.db2.gz RSXASRFNMFZETN-INIZCTEOSA-N 1 0 282.428 2.326 10 0 CEAERO COC(=O)[C@](C)(N)CCCC[N@@H+]1CCc2ccccc2C1 ZINC000045378755 175368256 /nfs/dbraw/zinc/36/82/56/175368256.db2.gz LHTNFMKHPIHDPW-QGZVFWFLSA-N 1 0 290.407 2.105 10 0 CEAERO C[NH2+][C@](C)(CCC[N@H+](C)C1CCCCC1)C(=O)[O-] ZINC000045379102 175368690 /nfs/dbraw/zinc/36/86/90/175368690.db2.gz UASLOFYHFCTURP-CQSZACIVSA-N 1 0 256.390 2.094 10 0 CEAERO CC[N@H+](CCCC[C@](C)(NC)C(=O)OC)CC(C)C ZINC000045381680 175369614 /nfs/dbraw/zinc/36/96/14/175369614.db2.gz YLLVOAAMZZIFRD-HNNXBMFYSA-N 1 0 272.433 2.286 10 0 CEAERO CCOC(=O)[C@@](C)(CCC[N@H+](CC)CC(C)C)NC ZINC000045381812 175369720 /nfs/dbraw/zinc/36/97/20/175369720.db2.gz FHIIFPBDCXIUMC-OAHLLOKOSA-N 1 0 272.433 2.286 10 0 CEAERO CCOC(=O)[C@@](C)(CCCC[N@H+](CC)C(C)C)NC ZINC000045383649 175371095 /nfs/dbraw/zinc/37/10/95/175371095.db2.gz XCZFJCORFYHHAG-OAHLLOKOSA-N 1 0 272.433 2.428 10 0 CEAERO CCN[C@@](C)(CCCC[N@H+](C)C1CC1)C(=O)OCC ZINC000045383190 175371121 /nfs/dbraw/zinc/37/11/21/175371121.db2.gz FHWLJJRZRCTPIP-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CCCN[C@H](C[N@@H+]1CCCC[C@@H]1CC)C(=O)OCC ZINC000045384024 175371126 /nfs/dbraw/zinc/37/11/26/175371126.db2.gz FEYJHGWABJVBQQ-UONOGXRCSA-N 1 0 270.417 2.182 10 0 CEAERO CCC[NH2+][C@@](C)(CCC[N@H+](CCC)C1CC1)C(=O)[O-] ZINC000045387524 175373130 /nfs/dbraw/zinc/37/31/30/175373130.db2.gz QEAPNVZYVJYQBN-HNNXBMFYSA-N 1 0 270.417 2.484 10 0 CEAERO CCC[N@H+](CC)CCCC[C@@](C)(NC)C(=O)OCC ZINC000045386891 175373177 /nfs/dbraw/zinc/37/31/77/175373177.db2.gz YXWWHBPIJLJUAU-OAHLLOKOSA-N 1 0 272.433 2.430 10 0 CEAERO CCCN[C@@](C)(CCC[N@H+](C)[C@@H](C)C1CC1)C(=O)OC ZINC000045393033 175375801 /nfs/dbraw/zinc/37/58/01/175375801.db2.gz ALGLFBKIGYIOPA-BBRMVZONSA-N 1 0 284.444 2.428 10 0 CEAERO C[N@H+](CCC[C@](C)([NH3+])C(=O)[O-])C1CCCCCC1 ZINC000045419028 175377024 /nfs/dbraw/zinc/37/70/24/175377024.db2.gz DOXPCRJIUJBDRQ-AWEZNQCLSA-N 1 0 256.390 2.223 10 0 CEAERO C[N@H+](CCCC[C@](C)([NH2+]C1CC1)C(=O)[O-])CC1CC1 ZINC000045419902 175378152 /nfs/dbraw/zinc/37/81/52/175378152.db2.gz VEHAXDAKXUZDQT-HNNXBMFYSA-N 1 0 268.401 2.094 10 0 CEAERO CCN(CCC[C@@](C)([NH2+]C)C(N)=O)c1cccc(C)c1 ZINC000045420056 175378811 /nfs/dbraw/zinc/37/88/11/175378811.db2.gz XELXRRHDHVQVDQ-MRXNPFEDSA-N 1 0 277.412 2.065 10 0 CEAERO CN[C@@](C)(CCC[N@H+](C)[C@@H](C)C(C)(C)C)C(=O)OC ZINC000045421019 175380197 /nfs/dbraw/zinc/38/01/97/175380197.db2.gz ZUGLPUTUEWBMFL-WFASDCNBSA-N 1 0 272.433 2.284 10 0 CEAERO CCc1ccc(-n2c(CC[NH3+])nc3cccnc32)cc1 ZINC000045796161 175383865 /nfs/dbraw/zinc/38/38/65/175383865.db2.gz KFBQYZFOPHNUQO-UHFFFAOYSA-N 1 0 266.348 2.484 10 0 CEAERO CC(C)n1ccnc1C[N@@H+]1CCCC[C@@H]1[C@H](C)CO ZINC000661434006 415260486 /nfs/dbraw/zinc/26/04/86/415260486.db2.gz GJWYQZHLVPLIQY-ZIAGYGMSSA-N 1 0 265.401 2.447 10 0 CEAERO CN1C[C@@H](C[NH2+][C@@H](c2ccccc2)C2CC2)CC1=O ZINC000658238831 415271791 /nfs/dbraw/zinc/27/17/91/415271791.db2.gz JGEVZXRBAFSKDC-WBMJQRKESA-N 1 0 258.365 2.206 10 0 CEAERO CC(C)[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1ccccc1 ZINC000658243076 415277413 /nfs/dbraw/zinc/27/74/13/415277413.db2.gz NLFDJCJQBXFSTM-XJKSGUPXSA-N 1 0 260.381 2.452 10 0 CEAERO CN1C[C@H](C[NH2+][C@@H](C2CC2)C2CCCC2)CC1=O ZINC000658242917 415278708 /nfs/dbraw/zinc/27/87/08/415278708.db2.gz WETWFVBYEBXGPS-XHDPSFHLSA-N 1 0 250.386 2.023 10 0 CEAERO CC[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1ccc(OC)cc1 ZINC000658243711 415279346 /nfs/dbraw/zinc/27/93/46/415279346.db2.gz GDHAWHQCFFSNHG-SWLSCSKDSA-N 1 0 276.380 2.214 10 0 CEAERO OCC1CC([NH2+][C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000658352843 415333002 /nfs/dbraw/zinc/33/30/02/415333002.db2.gz ZIRCKQHXKZONOX-CGZBRXJRSA-N 1 0 274.408 2.012 10 0 CEAERO COC[C@@]1(C(=O)Nc2cc(Cl)ccc2OC)CCC[NH2+]1 ZINC000659270840 415482137 /nfs/dbraw/zinc/48/21/37/415482137.db2.gz HZFLSLQRWQHWRJ-CQSZACIVSA-N 1 0 298.770 2.056 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCCC2(CC2)C1 ZINC000659294298 415493970 /nfs/dbraw/zinc/49/39/70/415493970.db2.gz ZAUGOFRZCMJDOH-RWMBFGLXSA-N 1 0 250.386 2.200 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCC2(CC2)C1 ZINC000659294295 415494382 /nfs/dbraw/zinc/49/43/82/415494382.db2.gz ZAUGOFRZCMJDOH-AGIUHOORSA-N 1 0 250.386 2.200 10 0 CEAERO CO[C@@H](CNC(=O)C[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000659381733 415551589 /nfs/dbraw/zinc/55/15/89/415551589.db2.gz FRVGONHOPSMEAA-HIFRSBDPSA-N 1 0 282.428 2.088 10 0 CEAERO CCCCCC[NH2+]C[C@@H](O)COCc1ccco1 ZINC000070192201 175881707 /nfs/dbraw/zinc/88/17/07/175881707.db2.gz UZCZCGLVGTWSFO-CYBMUJFWSA-N 1 0 255.358 2.327 10 0 CEAERO C[C@@H](C(N)=S)[NH+]1CCN([C@@H](C)c2ccccc2)CC1 ZINC000070376138 175899868 /nfs/dbraw/zinc/89/98/68/175899868.db2.gz UYFDKQUYISARES-STQMWFEESA-N 1 0 277.437 2.040 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc(OC)ccc1O[C@@H](C)COC ZINC000070378079 175900177 /nfs/dbraw/zinc/90/01/77/175900177.db2.gz BOPHQCIUMYDWKY-WCQYABFASA-N 1 0 267.369 2.389 10 0 CEAERO CC(C)[C@@H](c1cccs1)N1C[C@@H](C[NH3+])CC1=O ZINC000070493304 175956046 /nfs/dbraw/zinc/95/60/46/175956046.db2.gz LBPYXULTSWOWSE-MFKMUULPSA-N 1 0 252.383 2.252 10 0 CEAERO C[C@]1(c2ccccc2Br)C[C@@]1(C[NH3+])CO ZINC000070500852 175958672 /nfs/dbraw/zinc/95/86/72/175958672.db2.gz ZGUSUVAVDQFZOH-VXGBXAGGSA-N 1 0 270.170 2.048 10 0 CEAERO CC(C)[NH2+][C@](CO)(COc1ccc(F)cc1F)C1CC1 ZINC000070517988 175966015 /nfs/dbraw/zinc/96/60/15/175966015.db2.gz PDZRHRFQTBXDKX-OAHLLOKOSA-N 1 0 285.334 2.483 10 0 CEAERO C[NH2+][C@](C)(CO)C[C@@H](C)Oc1ccc(CCOC)cc1 ZINC000070519340 175966524 /nfs/dbraw/zinc/96/65/24/175966524.db2.gz DJHFCLLWSIHPIT-CJNGLKHVSA-N 1 0 281.396 2.003 10 0 CEAERO C[C@H](C[NH2+]C1CC1)CSc1nnc2ccccn21 ZINC000070525932 175970463 /nfs/dbraw/zinc/97/04/63/175970463.db2.gz VMQLQIBWPAQTSV-SNVBAGLBSA-N 1 0 262.382 2.210 10 0 CEAERO C[C@H](C[NH2+]C1CC1)CN1CCc2ccccc2C1=O ZINC000070536757 175976074 /nfs/dbraw/zinc/97/60/74/175976074.db2.gz VTUXDBYJRJXSHT-GFCCVEGCSA-N 1 0 258.365 2.073 10 0 CEAERO COc1ccccc1N(C)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000070578009 175993839 /nfs/dbraw/zinc/99/38/39/175993839.db2.gz VSSKAUUSNMCWKK-NEPJUHHUSA-N 1 0 262.353 2.176 10 0 CEAERO COc1ccc([C@H]2OCC[C@@H]2C[NH3+])cc1Br ZINC000070673962 176000734 /nfs/dbraw/zinc/00/07/34/176000734.db2.gz OPAVQOKAKGMBPO-BXKDBHETSA-N 1 0 286.169 2.494 10 0 CEAERO [NH3+]C[C@H]1CCO[C@@H]1c1ccccc1Br ZINC000070674070 176000743 /nfs/dbraw/zinc/00/07/43/176000743.db2.gz OSPJECYBPGYVBQ-KCJUWKMLSA-N 1 0 256.143 2.485 10 0 CEAERO [NH3+]CCCCCCn1cc(I)cn1 ZINC000070678944 176001015 /nfs/dbraw/zinc/00/10/15/176001015.db2.gz HPHUDGIZMHLPNX-UHFFFAOYSA-N 1 0 293.152 2.007 10 0 CEAERO CC[NH2+]CC[C@H](C)n1cc(I)cn1 ZINC000070678970 176001022 /nfs/dbraw/zinc/00/10/22/176001022.db2.gz HNUDZLFSGKNRRV-QMMMGPOBSA-N 1 0 293.152 2.048 10 0 CEAERO C[C@H]([NH2+]C[C@H]1CCC(=O)N1)c1ccc(Cl)s1 ZINC000070680431 176001408 /nfs/dbraw/zinc/00/14/08/176001408.db2.gz OIGSOUZLEJKECD-JGVFFNPUSA-N 1 0 258.774 2.331 10 0 CEAERO C[NH2+]C[C@@H]1CCN(c2ncc(Cl)cc2Cl)C1 ZINC000070800291 176006019 /nfs/dbraw/zinc/00/60/19/176006019.db2.gz GQKKPZRKVWGWFG-QMMMGPOBSA-N 1 0 260.168 2.434 10 0 CEAERO [NH3+][C@@H]1CCC(=O)N[C@H]1c1ccc(Cl)cc1Cl ZINC000070824450 176007554 /nfs/dbraw/zinc/00/75/54/176007554.db2.gz UUPRWXWIYKBQFR-KOLCDFICSA-N 1 0 259.136 2.272 10 0 CEAERO [NH3+][C@@H]1CCC(=O)N[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000070824599 176007880 /nfs/dbraw/zinc/00/78/80/176007880.db2.gz JTMMOFRMUFNJSL-MWLCHTKSSA-N 1 0 259.136 2.272 10 0 CEAERO Cc1ncsc1CNC1=[NH+]C[C@H](C2CC2)S1 ZINC000070889381 176010505 /nfs/dbraw/zinc/01/05/05/176010505.db2.gz GDRGGNWKNXGGBD-SNVBAGLBSA-N 1 0 253.396 2.423 10 0 CEAERO FC(F)(F)c1ccncc1CN[C@H]1CCC[NH2+]CC1 ZINC000665299571 415688394 /nfs/dbraw/zinc/68/83/94/415688394.db2.gz PLCKMCICZJWGMF-NSHDSACASA-N 1 0 273.302 2.332 10 0 CEAERO CCn1c(C[NH3+])nnc1SCc1ccc(F)cc1 ZINC000070940842 176014450 /nfs/dbraw/zinc/01/44/50/176014450.db2.gz MBONQLOOASPFGA-UHFFFAOYSA-N 1 0 266.345 2.188 10 0 CEAERO Cc1ccc([C@@H]2[C@H]([NH3+])CCC(=O)N2C2CC2)s1 ZINC000070987551 176018557 /nfs/dbraw/zinc/01/85/57/176018557.db2.gz CHMAWRNOFBBWMD-MFKMUULPSA-N 1 0 250.367 2.210 10 0 CEAERO CC(C)N1C(=O)CC[C@H]([NH3+])[C@H]1c1cccc(F)c1F ZINC000070987017 176018769 /nfs/dbraw/zinc/01/87/69/176018769.db2.gz FFKABRZRJDQVRK-SMDDNHRTSA-N 1 0 268.307 2.364 10 0 CEAERO C[NH2+][C@@H](Cc1ccc(Br)cn1)C1CC1 ZINC000071004127 176021103 /nfs/dbraw/zinc/02/11/03/176021103.db2.gz YJRSUFGBHSHGTI-NSHDSACASA-N 1 0 255.159 2.385 10 0 CEAERO Cc1nn(C)c(Oc2cncc(Br)c2)c1C[NH3+] ZINC000071028961 176021230 /nfs/dbraw/zinc/02/12/30/176021230.db2.gz ZTLUTARNBZLETF-UHFFFAOYSA-N 1 0 297.156 2.137 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN([C@@H](C)c2ccccc2F)C1=O ZINC000071031894 176023030 /nfs/dbraw/zinc/02/30/30/176023030.db2.gz FVADECIEARLDIV-SMDDNHRTSA-N 1 0 264.344 2.486 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCCN1Cc1ccccc1F ZINC000071032838 176023456 /nfs/dbraw/zinc/02/34/56/176023456.db2.gz TXRNKANYSSKWOH-CQSZACIVSA-N 1 0 262.328 2.069 10 0 CEAERO Cc1ccc([C@@H](C)N2CC[C@@H]([NH2+]C(C)C)C2=O)o1 ZINC000071033722 176024307 /nfs/dbraw/zinc/02/43/07/176024307.db2.gz PHFPEFLLAXEUFQ-VXGBXAGGSA-N 1 0 250.342 2.248 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCN1Cc1ccccc1Cl ZINC000071037821 176026485 /nfs/dbraw/zinc/02/64/85/176026485.db2.gz RRGXCBWMSSJMDY-ZDUSSCGKSA-N 1 0 264.756 2.193 10 0 CEAERO CC[NH2+][C@@H]1CCCN(Cc2ccc(Cl)cc2)C1=O ZINC000071038670 176027155 /nfs/dbraw/zinc/02/71/55/176027155.db2.gz YPCLVFVHJVSDKB-CYBMUJFWSA-N 1 0 266.772 2.441 10 0 CEAERO CCOc1cccc(CN2CC[C@@H]([NH2+]C(C)C)C2=O)c1 ZINC000071041316 176028173 /nfs/dbraw/zinc/02/81/73/176028173.db2.gz PYNDBRGZUTWEAG-OAHLLOKOSA-N 1 0 276.380 2.184 10 0 CEAERO Cc1cccc(CCN2CCC[C@H]([NH2+]C3CC3)C2=O)c1 ZINC000071042008 176028658 /nfs/dbraw/zinc/02/86/58/176028658.db2.gz UVAHRSBLRBUQEZ-INIZCTEOSA-N 1 0 272.392 2.281 10 0 CEAERO CC[NH2+][C@@H]1CCCN(c2ccc3ncccc3c2)C1=O ZINC000071042573 176028724 /nfs/dbraw/zinc/02/87/24/176028724.db2.gz WCDDGBBRPRTXQA-OAHLLOKOSA-N 1 0 269.348 2.340 10 0 CEAERO CC[C@H]1CCC[C@@H]([NH2+][C@@H](C)CN2CCOCC2)C1 ZINC000071108541 176033923 /nfs/dbraw/zinc/03/39/23/176033923.db2.gz NOEZOLVFRXIHSA-SOUVJXGZSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@H]1CCC[C@](CN)([NH+]2CCC(OC)CC2)C1 ZINC000071123292 176035017 /nfs/dbraw/zinc/03/50/17/176035017.db2.gz IRHMWYYCUXQNNP-ZFWWWQNUSA-N 1 0 254.418 2.395 10 0 CEAERO CCOC(=O)[C@@]1(NCC[NH+](C)C)CCC[C@@H](CC)C1 ZINC000071126003 176035577 /nfs/dbraw/zinc/03/55/77/176035577.db2.gz WSGUIIVJCYAPIS-UKRRQHHQSA-N 1 0 270.417 2.040 10 0 CEAERO CCOC(=O)[C@]1(N2CCC[NH2+]CC2)CCC[C@@H](CC)C1 ZINC000071125783 176035675 /nfs/dbraw/zinc/03/56/75/176035675.db2.gz LCLMWGYXFMJEEU-ZBFHGGJFSA-N 1 0 282.428 2.184 10 0 CEAERO COc1cc(OC)cc(OC2CCC([NH3+])CC2)c1 ZINC000071138225 176037001 /nfs/dbraw/zinc/03/70/01/176037001.db2.gz JULPWKOLLLHCBC-UHFFFAOYSA-N 1 0 251.326 2.353 10 0 CEAERO CC[C@@H]([NH3+])Cc1nccn1Cc1ccc(OC)cc1 ZINC000071139267 176037655 /nfs/dbraw/zinc/03/76/55/176037655.db2.gz WNALJGWYAPFBBH-CYBMUJFWSA-N 1 0 259.353 2.220 10 0 CEAERO CN1C(=O)Cc2ccc([C@@H]([NH3+])C3CCCC3)cc2C1=O ZINC000071139394 176038091 /nfs/dbraw/zinc/03/80/91/176038091.db2.gz OACVLWXBIDGDNH-HNNXBMFYSA-N 1 0 272.348 2.031 10 0 CEAERO CCCC[C@@H]([NH2+]C)c1ccc2c(c1)C(=O)N(C)C(=O)C2 ZINC000071139444 176038147 /nfs/dbraw/zinc/03/81/47/176038147.db2.gz ZHDBWNLIJVSYGV-CQSZACIVSA-N 1 0 274.364 2.292 10 0 CEAERO C[NH2+]C[C@H]1CCN(Cc2noc(-c3cccc(C)c3)n2)C1 ZINC000071146100 176041845 /nfs/dbraw/zinc/04/18/45/176041845.db2.gz JULMUVLDNNGOJY-CYBMUJFWSA-N 1 0 286.379 2.086 10 0 CEAERO C[NH2+]C[C@H]1CCN(Cc2noc(-c3ccc(C)cc3)n2)C1 ZINC000071145498 176041891 /nfs/dbraw/zinc/04/18/91/176041891.db2.gz UGCABOQRXBWSRK-CYBMUJFWSA-N 1 0 286.379 2.086 10 0 CEAERO CCC[N@H+](C)[C@](C)(CN)Cc1ccc(OC)cc1 ZINC000071169104 176049998 /nfs/dbraw/zinc/04/99/98/176049998.db2.gz SAKSKSSWBRWQSD-HNNXBMFYSA-N 1 0 250.386 2.297 10 0 CEAERO CCc1nc([C@@](C)([NH3+])Cc2ccc(OC)cc2)no1 ZINC000071169886 176050510 /nfs/dbraw/zinc/05/05/10/176050510.db2.gz QDOITPJDXLOKFD-AWEZNQCLSA-N 1 0 261.325 2.057 10 0 CEAERO CCCOc1cncc(N(C)c2ccc(C[NH3+])cc2)n1 ZINC000071175865 176054678 /nfs/dbraw/zinc/05/46/78/176054678.db2.gz PBMVIALAKIOJGP-UHFFFAOYSA-N 1 0 272.352 2.492 10 0 CEAERO CCOc1cncc(N2CCC[C@H]2C[NH2+]C(C)(C)C)n1 ZINC000071176838 176055382 /nfs/dbraw/zinc/05/53/82/176055382.db2.gz GNQRMMYCMYNEEZ-LBPRGKRZSA-N 1 0 278.400 2.232 10 0 CEAERO CN1CC[C@@H](Oc2ccc(C[NH2+]C(C)(C)C)cc2)C1=O ZINC000071183138 176058665 /nfs/dbraw/zinc/05/86/65/176058665.db2.gz NVALMZGEBDNMEC-CQSZACIVSA-N 1 0 276.380 2.184 10 0 CEAERO CN1CC[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)C1=O ZINC000071183873 176058993 /nfs/dbraw/zinc/05/89/93/176058993.db2.gz VIDPMEOJHGYDLT-LLVKDONJSA-N 1 0 272.270 2.026 10 0 CEAERO Cc1c(C)c(N2CCC[C@@H]2C[NH+](C)C)nnc1Cl ZINC000071187118 176060766 /nfs/dbraw/zinc/06/07/66/176060766.db2.gz POYYPNOTWPZTAC-LLVKDONJSA-N 1 0 268.792 2.277 10 0 CEAERO C[C@@H](O)c1cc(F)ccc1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189650 176065284 /nfs/dbraw/zinc/06/52/84/176065284.db2.gz RZRXSPBEIICCIT-VXGBXAGGSA-N 1 0 266.360 2.267 10 0 CEAERO C[C@H](C(=O)c1ccc(F)cc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189782 176065287 /nfs/dbraw/zinc/06/52/87/176065287.db2.gz YFNOMSWPIKDINY-CHWSQXEVSA-N 1 0 278.371 2.280 10 0 CEAERO C[C@H](C(=O)c1ccc(F)cc1F)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189882 176065805 /nfs/dbraw/zinc/06/58/05/176065805.db2.gz XXYZMBAIZFZBQI-VXGBXAGGSA-N 1 0 296.361 2.420 10 0 CEAERO CN(C[C@@H]1CC[N@H+](C)C1)c1c(F)cc(C=O)cc1F ZINC000071189486 176066001 /nfs/dbraw/zinc/06/60/01/176066001.db2.gz RGDSNMUHLGCTJK-SNVBAGLBSA-N 1 0 268.307 2.165 10 0 CEAERO CCC[NH2+][C@@H]1CCCN(Cc2cnc(C)s2)C1 ZINC000071200741 176077872 /nfs/dbraw/zinc/07/78/72/176077872.db2.gz UHXNXTHHWRIUFB-GFCCVEGCSA-N 1 0 253.415 2.416 10 0 CEAERO COc1cc(OC)c([C@@H]2C[NH2+][C@H](C)C2)c(OC)c1 ZINC000071202254 176078115 /nfs/dbraw/zinc/07/81/15/176078115.db2.gz QUNCETRHAHGWNR-ZJUUUORDSA-N 1 0 251.326 2.178 10 0 CEAERO C[C@H]1CCC[C@@H]1[NH2+][C@@H]1CC(=O)N(C2CCCCC2)C1=O ZINC000071207061 176080297 /nfs/dbraw/zinc/08/02/97/176080297.db2.gz DWIUBHVRRRACNI-FPMFFAJLSA-N 1 0 278.396 2.225 10 0 CEAERO CC[NH2+][C@H]1CCN(Cc2scnc2C)C[C@@H]1C ZINC000071213127 176084880 /nfs/dbraw/zinc/08/48/80/176084880.db2.gz SNKHSKXVKUNDKQ-JQWIXIFHSA-N 1 0 253.415 2.271 10 0 CEAERO COCC[N@H+](CCC(N)=S)Cc1ccc(F)cc1F ZINC000071225804 176089504 /nfs/dbraw/zinc/08/95/04/176089504.db2.gz LBXJYXFGYHILGT-UHFFFAOYSA-N 1 0 288.363 2.089 10 0 CEAERO CC(C)(C)OC(=O)N1CCCC[C@@H]2CC[NH2+]C[C@@H]21 ZINC000071257582 176096061 /nfs/dbraw/zinc/09/60/61/176096061.db2.gz SCYXEFDQDRMNIJ-NEPJUHHUSA-N 1 0 254.374 2.386 10 0 CEAERO C[N@H+](Cc1ccc(F)cc1C(N)=S)[C@@H]1CCSC1 ZINC000071265764 176098996 /nfs/dbraw/zinc/09/89/96/176098996.db2.gz VGGWTTXTPITMFQ-LLVKDONJSA-N 1 0 284.425 2.397 10 0 CEAERO CCOC(=O)CCCCC[NH2+]CC[C@@H]1CCCO1 ZINC000071293668 176111638 /nfs/dbraw/zinc/11/16/38/176111638.db2.gz OFBCNAYIRBSLAK-ZDUSSCGKSA-N 1 0 257.374 2.269 10 0 CEAERO COCc1cc([C@H](C)[NH2+]C[C@@H](O)C2CC2)ccc1OC ZINC000071301014 176113993 /nfs/dbraw/zinc/11/39/93/176113993.db2.gz FELUSRZKGVYNIS-XHDPSFHLSA-N 1 0 279.380 2.263 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)NCc1ccc(Cl)s1 ZINC000071308331 176116161 /nfs/dbraw/zinc/11/61/61/176116161.db2.gz DUHHJYUSXAWXEB-SECBINFHSA-N 1 0 272.801 2.407 10 0 CEAERO COc1cc(CNC2=[NH+]C[C@@H](C3CC3)S2)ccn1 ZINC000071308118 176116406 /nfs/dbraw/zinc/11/64/06/176116406.db2.gz LXWRJVZBAGWRGX-NSHDSACASA-N 1 0 263.366 2.061 10 0 CEAERO CCc1cc2c(ncnc2N(C)[C@H]2CC[NH2+]C2)s1 ZINC000071311640 176118735 /nfs/dbraw/zinc/11/87/35/176118735.db2.gz CLBNXRZQXKSSBM-VIFPVBQESA-N 1 0 262.382 2.052 10 0 CEAERO CCN(C(=O)c1cc2c(s1)CCC2)[C@H]1CC[NH2+]C1 ZINC000071312595 176119165 /nfs/dbraw/zinc/11/91/65/176119165.db2.gz HHPPIJLYHSYOJL-NSHDSACASA-N 1 0 264.394 2.061 10 0 CEAERO CCCN(CC(=O)N(CC)C1=CCCCC1)[C@H]1CC[NH2+]C1 ZINC000071331744 176125361 /nfs/dbraw/zinc/12/53/61/176125361.db2.gz RMYTYFURHPSOAW-INIZCTEOSA-N 1 0 293.455 2.367 10 0 CEAERO CCC1(CC)CSC(NCc2ccnn2C)=[NH+]1 ZINC000071334619 176126339 /nfs/dbraw/zinc/12/63/39/176126339.db2.gz USTTVXPDGBFQQX-UHFFFAOYSA-N 1 0 252.387 2.171 10 0 CEAERO C[NH2+][C@H](C)c1cccc(NC(=O)NCc2ccnn2C)c1 ZINC000071336413 176127993 /nfs/dbraw/zinc/12/79/93/176127993.db2.gz SZDXAGQFXTWYLX-LLVKDONJSA-N 1 0 287.367 2.022 10 0 CEAERO CCc1ccc(C(=O)NC[C@@H]2[NH2+]CCC[C@@H]2C)cc1 ZINC000071338687 176129023 /nfs/dbraw/zinc/12/90/23/176129023.db2.gz RWZZJEYNLGGNJM-WFASDCNBSA-N 1 0 260.381 2.367 10 0 CEAERO C[C@H]1CCC[NH2+][C@H]1CNC(=O)c1cc(F)ccc1F ZINC000071338691 176129065 /nfs/dbraw/zinc/12/90/65/176129065.db2.gz SBGGVPFPCGASHC-ZANVPECISA-N 1 0 268.307 2.083 10 0 CEAERO Cc1ccc(C)c(C(=O)NC[C@H]2[NH2+]CCC[C@H]2C)c1 ZINC000071338680 176129079 /nfs/dbraw/zinc/12/90/79/176129079.db2.gz IDOUKOUKZCRAMV-UKRRQHHQSA-N 1 0 260.381 2.421 10 0 CEAERO C[C@@H]1CCC[NH2+][C@H]1CN1C(=O)CC2(CCCCC2)C1=O ZINC000071339250 176129263 /nfs/dbraw/zinc/12/92/63/176129263.db2.gz CZIBEBWAKIEDQC-OLZOCXBDSA-N 1 0 278.396 2.084 10 0 CEAERO CC[C@H](C)[C@H]1CNC(C)(C)C[N@@H+]1CCn1ccnc1C ZINC000071342597 176130663 /nfs/dbraw/zinc/13/06/63/176130663.db2.gz PQRCPGVGSHMIBB-DZGCQCFKSA-N 1 0 278.444 2.290 10 0 CEAERO CC[C@@H]1C[NH2+]C(C)(C)CN1Cc1cn2ccccc2n1 ZINC000071342316 176130678 /nfs/dbraw/zinc/13/06/78/176130678.db2.gz FXEXDCHQWHNOIY-CQSZACIVSA-N 1 0 272.396 2.297 10 0 CEAERO Cn1cc(CN2CC(C)(C)[NH2+]C[C@H]2c2ccccc2)cn1 ZINC000071342972 176131034 /nfs/dbraw/zinc/13/10/34/176131034.db2.gz ULIUBQTUVQMMRR-INIZCTEOSA-N 1 0 284.407 2.345 10 0 CEAERO CC[C@H]1CN(CCn2cccn2)[C@H](c2ccccc2)C[NH2+]1 ZINC000071344417 176131071 /nfs/dbraw/zinc/13/10/71/176131071.db2.gz WZQZEYWVSHZUDB-IRXDYDNUSA-N 1 0 284.407 2.308 10 0 CEAERO CC[C@@H]1CN(CCOCC(F)(F)F)[C@@](C)(C2CC2)C[NH2+]1 ZINC000071345587 176131387 /nfs/dbraw/zinc/13/13/87/176131387.db2.gz PTEMMPQHOPBVLG-CHWSQXEVSA-N 1 0 294.361 2.418 10 0 CEAERO CCC[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1Cc1cnn(C)c1 ZINC000071346805 176131880 /nfs/dbraw/zinc/13/18/80/176131880.db2.gz GAPYWZPNRYCAOK-LSDHHAIUSA-N 1 0 278.444 2.409 10 0 CEAERO CC[C@@H]1CN[C@H](C(C)(C)C)C[N@@H+]1CCCn1ccnc1 ZINC000071346193 176132066 /nfs/dbraw/zinc/13/20/66/176132066.db2.gz MNYPGDFMXHSCMU-CABCVRRESA-N 1 0 278.444 2.372 10 0 CEAERO Nc1ccn(CCC[N@@H+]2CCC[C@H]2c2ccncc2)n1 ZINC000071352065 176134853 /nfs/dbraw/zinc/13/48/53/176134853.db2.gz KYZDDZIJJXARNM-AWEZNQCLSA-N 1 0 271.368 2.088 10 0 CEAERO CCC[C@H]1C[NH2+][C@@H]([C@@H](C)CC)CN1Cc1ncccn1 ZINC000071354494 176136372 /nfs/dbraw/zinc/13/63/72/176136372.db2.gz UMNDQJJOTUXFBK-SOUVJXGZSA-N 1 0 276.428 2.465 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@](C)(CC)CN1CCn1ccnc1C ZINC000071356830 176136961 /nfs/dbraw/zinc/13/69/61/176136961.db2.gz XFWLTABULOIXDE-CVEARBPZSA-N 1 0 278.444 2.434 10 0 CEAERO CC[C@H](C)[C@@H]1CN[C@@](C)(CC)C[N@@H+]1CCn1cccn1 ZINC000071357097 176137002 /nfs/dbraw/zinc/13/70/02/176137002.db2.gz YAINVJPIFFXVLB-JYJNAYRXSA-N 1 0 278.444 2.372 10 0 CEAERO Cn1c(C[NH3+])nnc1SCc1c(F)cccc1Cl ZINC000071374055 176139126 /nfs/dbraw/zinc/13/91/26/176139126.db2.gz UDMDRQVKFZAKTJ-UHFFFAOYSA-N 1 0 286.763 2.359 10 0 CEAERO CCC[C@H](C)NC(=O)[C@H](C)NCC[N@H+](C)C1CCCC1 ZINC000071377369 176141872 /nfs/dbraw/zinc/14/18/72/176141872.db2.gz DJBWXXDZZQTXPM-KBPBESRZSA-N 1 0 283.460 2.144 10 0 CEAERO CC[NH+]1CCC(N(C)C(=O)c2ccc(N)c(Cl)c2)CC1 ZINC000071395319 176149538 /nfs/dbraw/zinc/14/95/38/176149538.db2.gz IGYGWWURNBMDPZ-UHFFFAOYSA-N 1 0 295.814 2.479 10 0 CEAERO CC[C@H](O)COc1ccc(C[NH3+])cc1C(F)(F)F ZINC000071398362 176151801 /nfs/dbraw/zinc/15/18/01/176151801.db2.gz LDGLQLWQRKLZGT-VIFPVBQESA-N 1 0 263.259 2.314 10 0 CEAERO CC(C)c1cc(C2CC2)nc(N2CCC[NH2+]CC2)n1 ZINC000071398133 176151864 /nfs/dbraw/zinc/15/18/64/176151864.db2.gz HKNCOOBYKUCSIU-UHFFFAOYSA-N 1 0 260.385 2.277 10 0 CEAERO [NH3+]Cc1ccc(O[C@H]2CCC[C@H]2O)c(C(F)(F)F)c1 ZINC000071398360 176151906 /nfs/dbraw/zinc/15/19/06/176151906.db2.gz YBWBBIYPFORJGY-PWSUYJOCSA-N 1 0 275.270 2.456 10 0 CEAERO [NH3+]CCc1ccc(OCCn2ccnc2)c(C(F)(F)F)c1 ZINC000071399510 176152236 /nfs/dbraw/zinc/15/22/36/176152236.db2.gz PDNNICYLHGUINE-UHFFFAOYSA-N 1 0 299.296 2.482 10 0 CEAERO CCN(CC)C(=O)[C@H](C)Oc1ccc(C)cc1C[NH3+] ZINC000071403399 176154633 /nfs/dbraw/zinc/15/46/33/176154633.db2.gz HPPASEOIZNEYEL-LBPRGKRZSA-N 1 0 264.369 2.089 10 0 CEAERO CCC(CC)NC(=O)COc1ccc(C)cc1C[NH2+]C ZINC000071403495 176155054 /nfs/dbraw/zinc/15/50/54/176155054.db2.gz JZOXLKIYVDCPPT-UHFFFAOYSA-N 1 0 278.396 2.398 10 0 CEAERO CCC[NH2+]Cc1cc(C)ccc1O[C@@H](CC)C(N)=O ZINC000071406261 176155688 /nfs/dbraw/zinc/15/56/88/176155688.db2.gz BIGJSUSINCESJD-ZDUSSCGKSA-N 1 0 264.369 2.137 10 0 CEAERO CCC[NH2+]Cc1cc(C)ccc1OCCC(=O)N(C)C ZINC000071406168 176155791 /nfs/dbraw/zinc/15/57/91/176155791.db2.gz QAYYSZKPGPIEDY-UHFFFAOYSA-N 1 0 278.396 2.352 10 0 CEAERO CCC[NH2+]Cc1cc(C)ccc1O[C@@H](C)C(=O)OC ZINC000071406195 176155816 /nfs/dbraw/zinc/15/58/16/176155816.db2.gz DWDOOXCQVAONNJ-LBPRGKRZSA-N 1 0 265.353 2.435 10 0 CEAERO CCNC(=O)[C@@H](C)Oc1ccc(C)cc1C[NH2+]CC ZINC000071406065 176155901 /nfs/dbraw/zinc/15/59/01/176155901.db2.gz UYQXXDWKMYEFML-GFCCVEGCSA-N 1 0 264.369 2.008 10 0 CEAERO CCC[NH2+]Cc1cc(C)ccc1O[C@H]1CCOC1=O ZINC000071406295 176155991 /nfs/dbraw/zinc/15/59/91/176155991.db2.gz AZJMLWVUCSFESE-AWEZNQCLSA-N 1 0 263.337 2.189 10 0 CEAERO Cc1ccc(OC[C@@H](C)C(N)=O)c(C[NH2+]CC(C)C)c1 ZINC000071407356 176156360 /nfs/dbraw/zinc/15/63/60/176156360.db2.gz BIKASVLWBASOPV-CYBMUJFWSA-N 1 0 278.396 2.241 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc(C)ccc1OCC(=O)NC(C)C ZINC000071412199 176157391 /nfs/dbraw/zinc/15/73/91/176157391.db2.gz PIDKZNFWFQTLEV-CQSZACIVSA-N 1 0 278.396 2.178 10 0 CEAERO CC[C@H]([NH3+])Cc1cc(C)ccc1OCC(=O)N1CCCC1 ZINC000071412354 176157533 /nfs/dbraw/zinc/15/75/33/176157533.db2.gz BEIZMHVGGGIYNZ-HNNXBMFYSA-N 1 0 290.407 2.276 10 0 CEAERO CC[C@H]([NH3+])Cc1cc(C)ccc1OCC(=O)NCC1CC1 ZINC000071412290 176157684 /nfs/dbraw/zinc/15/76/84/176157684.db2.gz QZDMTHMEAZURTK-HNNXBMFYSA-N 1 0 290.407 2.180 10 0 CEAERO CN1C[C@H](CC[NH3+])c2cc(Br)ccc21 ZINC000071483991 176189058 /nfs/dbraw/zinc/18/90/58/176189058.db2.gz VTQGLRGRDONTRO-QMMMGPOBSA-N 1 0 255.159 2.331 10 0 CEAERO CO[C@](C)(C[NH3+])c1cc(Br)cs1 ZINC000071571766 176197482 /nfs/dbraw/zinc/19/74/82/176197482.db2.gz FLKBRCFBJQACHV-MRVPVSSYSA-N 1 0 250.161 2.331 10 0 CEAERO CC(C)(C)c1ccc(COC(=O)NCC[NH3+])cc1 ZINC000071572386 176198403 /nfs/dbraw/zinc/19/84/03/176198403.db2.gz VIGIXRGAJNRDMF-UHFFFAOYSA-N 1 0 250.342 2.169 10 0 CEAERO [NH3+]Cc1nccn1-c1ccc(Br)cc1 ZINC000071573919 176200739 /nfs/dbraw/zinc/20/07/39/176200739.db2.gz UKRUMVHRVIRKLR-UHFFFAOYSA-N 1 0 252.115 2.094 10 0 CEAERO COc1ccc(Cl)cc1C[C@]1(O)CCC[NH2+]C1 ZINC000071576858 176205038 /nfs/dbraw/zinc/20/50/38/176205038.db2.gz RCVHFFCHSPDJPF-CYBMUJFWSA-N 1 0 255.745 2.006 10 0 CEAERO CC(C)[NH2+]C[C@@H](O)Cc1ccccc1Br ZINC000071611521 176231702 /nfs/dbraw/zinc/23/17/02/176231702.db2.gz MIARRWLOLGFAFX-NSHDSACASA-N 1 0 272.186 2.351 10 0 CEAERO [NH3+][C@@H](CO)c1ccc(Br)cc1Cl ZINC000072199135 176339572 /nfs/dbraw/zinc/33/95/72/176339572.db2.gz RFVRBZJGTWJDRC-QMMMGPOBSA-N 1 0 250.523 2.095 10 0 CEAERO Cc1nsc(N2CCC([C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000656608084 415784031 /nfs/dbraw/zinc/78/40/31/415784031.db2.gz HRDIKRSFHXRJJE-GFCCVEGCSA-N 1 0 266.414 2.063 10 0 CEAERO Cc1cnc(N2CCC([C@@H]3CCC[NH2+]C3)CC2)nc1 ZINC000656608390 415785025 /nfs/dbraw/zinc/78/50/25/415785025.db2.gz JHPGNYYRRFAECP-CQSZACIVSA-N 1 0 260.385 2.001 10 0 CEAERO Cc1cnc(N2CCC[C@H](C3CC[NH2+]CC3)C2)nc1C ZINC000656609087 415785116 /nfs/dbraw/zinc/78/51/16/415785116.db2.gz LTISZLDCMNNLNC-HNNXBMFYSA-N 1 0 274.412 2.309 10 0 CEAERO CC1CC(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)C1 ZINC000662594346 415895933 /nfs/dbraw/zinc/89/59/33/415895933.db2.gz JAQZRIPMQYOVHI-BLZCZZARSA-N 1 0 264.413 2.271 10 0 CEAERO C[C@@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)c1cccc(Br)c1 ZINC000662477290 415858056 /nfs/dbraw/zinc/85/80/56/415858056.db2.gz LSVBSDMTLYYILQ-HLUHBDAQSA-N 1 0 297.196 2.364 10 0 CEAERO Cc1cc[n+](CCC(=O)N[C@@H]2CCCC[C@H]2C)cc1 ZINC000075216756 176674036 /nfs/dbraw/zinc/67/40/36/176674036.db2.gz NOXRZKMEYINYAW-HUUCEWRRSA-O 1 0 261.389 2.368 10 0 CEAERO Cn1c(C[C@H]2COCC[NH2+]2)nc2cc(C(F)(F)F)ccc21 ZINC000076167495 176942754 /nfs/dbraw/zinc/94/27/54/176942754.db2.gz IWDZBBMTZFVYTO-JTQLQIEISA-N 1 0 299.296 2.123 10 0 CEAERO C[NH2+]CC[C@H](O)CN(C)c1cccc(Cl)c1C ZINC000076306054 176977040 /nfs/dbraw/zinc/97/70/40/176977040.db2.gz RUZQOCIJFAKAKW-NSHDSACASA-N 1 0 256.777 2.055 10 0 CEAERO COc1ccc(F)cc1N(C)C(=O)CC[NH2+]C(C)C ZINC000076399074 177016518 /nfs/dbraw/zinc/01/65/18/177016518.db2.gz AHLQAUZYZFRTPS-UHFFFAOYSA-N 1 0 268.332 2.185 10 0 CEAERO CN(CC[NH3+])CCCc1ccccc1Br ZINC000076409620 177019931 /nfs/dbraw/zinc/01/99/31/177019931.db2.gz ZLZCZYJZUVGDGR-UHFFFAOYSA-N 1 0 271.202 2.272 10 0 CEAERO CC(C)Oc1ccc(NC(=O)C[C@@H](C)C[NH3+])cc1 ZINC000076654703 177044400 /nfs/dbraw/zinc/04/44/00/177044400.db2.gz MPDVSNLJITYHRI-LLVKDONJSA-N 1 0 250.342 2.397 10 0 CEAERO COc1ccc(NC(=O)C[C@@H](C[NH3+])C(C)C)cc1 ZINC000076654686 177044412 /nfs/dbraw/zinc/04/44/12/177044412.db2.gz YQEWWMJYZVCHAA-NSHDSACASA-N 1 0 250.342 2.255 10 0 CEAERO [NH3+]CC[C@H](C(=O)NCc1ccco1)c1cccs1 ZINC000076679836 177057967 /nfs/dbraw/zinc/05/79/67/177057967.db2.gz CBBHRJTYCHFOME-NSHDSACASA-N 1 0 264.350 2.090 10 0 CEAERO [NH3+]CC[C@@H](C(=O)NCc1ccco1)c1cccs1 ZINC000076679838 177058068 /nfs/dbraw/zinc/05/80/68/177058068.db2.gz CBBHRJTYCHFOME-LLVKDONJSA-N 1 0 264.350 2.090 10 0 CEAERO CC1(C)CO[C@H]2CCN(Cc3ccccc3)C[C@@H]2[NH2+]1 ZINC000076698270 177061546 /nfs/dbraw/zinc/06/15/46/177061546.db2.gz PQPJSZMOPKDYBI-GJZGRUSLSA-N 1 0 260.381 2.028 10 0 CEAERO C[C@H](CC[NH3+])C(=O)Nc1ccccc1Br ZINC000076710905 177067648 /nfs/dbraw/zinc/06/76/48/177067648.db2.gz WJFNPMUSFQOHAB-MRVPVSSYSA-N 1 0 271.158 2.373 10 0 CEAERO Cc1cccc(C(C)C)c1N(C)C[C@@H](O)CC[NH3+] ZINC000077432356 177268226 /nfs/dbraw/zinc/26/82/26/177268226.db2.gz UWXNZOUGFLMEBI-ZDUSSCGKSA-N 1 0 250.386 2.264 10 0 CEAERO CSC[C@@H](C)NC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000077570040 177281583 /nfs/dbraw/zinc/28/15/83/177281583.db2.gz HSUSAANHEVCMIW-VXGBXAGGSA-N 1 0 275.462 2.013 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@@H]1CC=CCC1 ZINC000077570014 177281753 /nfs/dbraw/zinc/28/17/53/177281753.db2.gz BXPZSWKBXMJLAP-ZIAGYGMSSA-N 1 0 267.417 2.371 10 0 CEAERO COC[C@@H]1CC[N@H+](Cc2cc(C(C)=O)ccc2OC)C1 ZINC000077897448 177307451 /nfs/dbraw/zinc/30/74/51/177307451.db2.gz GVZJAAHSNRNTMW-CYBMUJFWSA-N 1 0 277.364 2.366 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC000078516210 177348886 /nfs/dbraw/zinc/34/88/86/177348886.db2.gz SLRXYEDUQIFFMQ-WFASDCNBSA-N 1 0 266.360 2.197 10 0 CEAERO COCCN(CCC[NH+](C)C)C(=O)Oc1ccccc1 ZINC000078597147 177358019 /nfs/dbraw/zinc/35/80/19/177358019.db2.gz TXBRVWJEMFHITL-UHFFFAOYSA-N 1 0 280.368 2.086 10 0 CEAERO CC[NH2+]Cc1nc(-c2ccc(CCOC)cc2)c[nH]1 ZINC000078900139 177403560 /nfs/dbraw/zinc/40/35/60/177403560.db2.gz VCZWTMDZKIEAAU-UHFFFAOYSA-N 1 0 259.353 2.375 10 0 CEAERO C[C@H](CC[NH3+])CCC(=O)Nc1ccc(Cl)c(C(N)=O)c1 ZINC000079117656 177435891 /nfs/dbraw/zinc/43/58/91/177435891.db2.gz KEGGINSFKRWHJR-VIFPVBQESA-N 1 0 297.786 2.143 10 0 CEAERO C[C@@H](CC[NH3+])CCC(=O)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000079117561 177435914 /nfs/dbraw/zinc/43/59/14/177435914.db2.gz ZEZHGPYWSBASIO-VXGBXAGGSA-N 1 0 292.379 2.358 10 0 CEAERO CC[C@@H](CC[NH3+])CCC(=O)N(C)Cc1ccncc1 ZINC000079208038 177446311 /nfs/dbraw/zinc/44/63/11/177446311.db2.gz CGUVXGTVLLPEIU-CYBMUJFWSA-N 1 0 263.385 2.195 10 0 CEAERO CC[C@@H](CC[NH3+])CCC(=O)N(CCO)Cc1ccccc1 ZINC000079210179 177446679 /nfs/dbraw/zinc/44/66/79/177446679.db2.gz NXVDIMXDMCOBCM-OAHLLOKOSA-N 1 0 292.423 2.163 10 0 CEAERO CCC(CC)(CO)NC(=O)CC[C@H](CC[NH3+])C(C)C ZINC000079278446 177462093 /nfs/dbraw/zinc/46/20/93/177462093.db2.gz XEDMGSYOWUDNBD-CYBMUJFWSA-N 1 0 272.433 2.055 10 0 CEAERO CC(C)(C)[C@H](CC[NH3+])CCC(=O)NC1CCC(O)CC1 ZINC000079288355 177463837 /nfs/dbraw/zinc/46/38/37/177463837.db2.gz RVIKCRZDGBMASB-HSBZDZAISA-N 1 0 284.444 2.197 10 0 CEAERO C[C@H](NC(=O)[C@]1(C)CCC[NH2+]1)c1ccc(F)c(F)c1 ZINC000079513426 177510842 /nfs/dbraw/zinc/51/08/42/177510842.db2.gz IRXIVCYZNGRWCE-XPTSAGLGSA-N 1 0 268.307 2.284 10 0 CEAERO C[C@H](NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+])C1CCCC1 ZINC000079536536 177517630 /nfs/dbraw/zinc/51/76/30/177517630.db2.gz IOUGTPXMHATRMB-BQQXIIOZSA-N 1 0 250.386 2.055 10 0 CEAERO C[NH2+][C@H]1CCC(C)(C)C[C@@H]1N1CCC(OC)CC1 ZINC000079621631 177528219 /nfs/dbraw/zinc/52/82/19/177528219.db2.gz IAVHOETWNPKWEY-KBPBESRZSA-N 1 0 254.418 2.264 10 0 CEAERO CC(C)NC(=O)NC1(C(N)=[NH2+])CCCCCCC1 ZINC000079779196 177557394 /nfs/dbraw/zinc/55/73/94/177557394.db2.gz NGCRKLVRPHYTTB-UHFFFAOYSA-N 1 0 254.378 2.113 10 0 CEAERO CC[C@H](CC(N)=[NH2+])NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000079780809 177557760 /nfs/dbraw/zinc/55/77/60/177557760.db2.gz UXGQSWQIGYSGJY-RRHJKOLHSA-N 1 0 292.427 2.359 10 0 CEAERO Cc1nn(C[C@@H]2CC[C@H](C[NH2+]C3CC3)O2)cc1Cl ZINC000080018007 177597186 /nfs/dbraw/zinc/59/71/86/177597186.db2.gz YFOHBTKTZGSSDU-NEPJUHHUSA-N 1 0 269.776 2.145 10 0 CEAERO COCCCn1cc(CC[NH2+]CCOC)c2ccccc21 ZINC000080083860 177605540 /nfs/dbraw/zinc/60/55/40/177605540.db2.gz HJFHAVJDVRYNJF-UHFFFAOYSA-N 1 0 290.407 2.456 10 0 CEAERO C[C@@H]1CN(C(=O)c2cccc(C(C)(C)C)c2)C[C@@H]1[NH3+] ZINC000567406374 299061908 /nfs/dbraw/zinc/06/19/08/299061908.db2.gz IZXZUKHFKXOFEN-RISCZKNCSA-N 1 0 260.381 2.403 10 0 CEAERO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCOC[C@H]2C)C1 ZINC000249163246 288502381 /nfs/dbraw/zinc/50/23/81/288502381.db2.gz ZRSYZQNRQXUUGV-FWIBFFJGSA-N 1 0 273.442 2.081 10 0 CEAERO C[C@@H]1C[C@@H](C)C[NH+](CCN2CCC[C@H]2CCCO)C1 ZINC000318597326 419486216 /nfs/dbraw/zinc/48/62/16/419486216.db2.gz VCIHEVAMHROFAU-OAGGEKHMSA-N 1 0 268.445 2.201 10 0 CEAERO CC(C)[C@@H]([NH3+])CCN(C)c1ncnc2c1CCCC2 ZINC000133572949 419430934 /nfs/dbraw/zinc/43/09/34/419430934.db2.gz HWXUXBSCSGTJDP-ZDUSSCGKSA-N 1 0 262.401 2.165 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CC[C@@H]2CCCC[C@@H]21 ZINC000135285424 419441069 /nfs/dbraw/zinc/44/10/69/419441069.db2.gz FLWISOKXCPXCHX-DGAVXFQQSA-N 1 0 250.386 2.153 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)NCc1ccccc1Cl ZINC000136296672 419444048 /nfs/dbraw/zinc/44/40/48/419444048.db2.gz LTMFAHVMRSEGBT-GFCCVEGCSA-N 1 0 254.761 2.330 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000136298323 419444268 /nfs/dbraw/zinc/44/42/68/419444268.db2.gz AUPXVFHKCYKFGO-VIFPVBQESA-N 1 0 286.278 2.320 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)NCc1ccc(Cl)cc1 ZINC000136307084 419444398 /nfs/dbraw/zinc/44/43/98/419444398.db2.gz HZSSXCWCMBYKPQ-LBPRGKRZSA-N 1 0 254.761 2.330 10 0 CEAERO CCOc1cccc(NC(=O)C[C@@H]([NH3+])C(C)C)c1 ZINC000136370492 419446737 /nfs/dbraw/zinc/44/67/37/419446737.db2.gz KOLLUPFTMLHYPA-CYBMUJFWSA-N 1 0 250.342 2.397 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)CCCOc1ccccc1 ZINC000136390698 419447556 /nfs/dbraw/zinc/44/75/56/419447556.db2.gz SSIKCCQSXLMPOL-HNNXBMFYSA-N 1 0 278.396 2.287 10 0 CEAERO C[C@H](NC(=O)C[C@@H]1CC[NH2+]C1)c1c(F)cccc1F ZINC000089743447 260238723 /nfs/dbraw/zinc/23/87/23/260238723.db2.gz KDUFVAFAGNGBHB-UWVGGRQHSA-N 1 0 268.307 2.142 10 0 CEAERO CC[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC(=O)N[C@H]2C)C1 ZINC000394503950 261183451 /nfs/dbraw/zinc/18/34/51/261183451.db2.gz DJMDUYXXORPORO-CRWXNKLISA-N 1 0 252.402 2.460 10 0 CEAERO CC(C)(C)OC[C@@H](O)C[N@H+](Cc1ccccn1)C1CC1 ZINC000195132758 265119662 /nfs/dbraw/zinc/11/96/62/265119662.db2.gz FEDKOSVNBSIHNI-HNNXBMFYSA-N 1 0 278.396 2.222 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccccc2COC)C1 ZINC000194339815 270296794 /nfs/dbraw/zinc/29/67/94/270296794.db2.gz DOBZZIGKAPCHOE-AWEZNQCLSA-N 1 0 291.395 2.439 10 0 CEAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@]1(O)CCOC1 ZINC000222426588 270308374 /nfs/dbraw/zinc/30/83/74/270308374.db2.gz UKRJYIVGUAPZSH-IPYPFGDCSA-N 1 0 255.402 2.332 10 0 CEAERO CCCCOC[C@@H](O)C[NH2+]CCc1cccs1 ZINC000227887741 270312378 /nfs/dbraw/zinc/31/23/78/270312378.db2.gz ZKTGESQGLONXFZ-LBPRGKRZSA-N 1 0 257.399 2.058 10 0 CEAERO CSCC1CCC([NH2+][C@@H]2CCC(=O)N[C@H]2C)CC1 ZINC000392887441 270341513 /nfs/dbraw/zinc/34/15/13/270341513.db2.gz LRZXHZKZXPBOPR-YWPUVAFDSA-N 1 0 270.442 2.165 10 0 CEAERO CC[C@H](C[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O)OC ZINC000397063622 270351728 /nfs/dbraw/zinc/35/17/28/270351728.db2.gz RYJZPQBZEKKCTD-LXTVHRRPSA-N 1 0 255.402 2.427 10 0 CEAERO COc1ccc(C)cc1[C@@H](C)NC(=O)[C@H]([NH3+])C1CCC1 ZINC000399094937 270365928 /nfs/dbraw/zinc/36/59/28/270365928.db2.gz XYCJJLPQYUFNEE-IAQYHMDHSA-N 1 0 276.380 2.308 10 0 CEAERO COCC[N@@H+]1CC[C@@H]2CN(c3cccc(F)c3)C[C@H]2C1 ZINC000503714957 274033011 /nfs/dbraw/zinc/03/30/11/274033011.db2.gz AQCISQUSDXZEJF-ZIAGYGMSSA-N 1 0 278.371 2.230 10 0 CEAERO C[C@@H]([NH3+])[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000127309372 274240990 /nfs/dbraw/zinc/24/09/90/274240990.db2.gz UPTIMINVGPPGMO-BDAKNGLRSA-N 1 0 259.275 2.274 10 0 CEAERO C[C@@H]1CC(CC[N@@H+]2CCNC(=O)CC2)C[C@@H](C)C1 ZINC000089124505 274282957 /nfs/dbraw/zinc/28/29/57/274282957.db2.gz UUAOKOLQOVWLBK-STQMWFEESA-N 1 0 252.402 2.271 10 0 CEAERO C[C@@H]1CN(c2ccc(Br)cn2)[C@H](C)C[NH2+]1 ZINC000083119010 274362638 /nfs/dbraw/zinc/36/26/38/274362638.db2.gz GCYJDLJCCUBCNI-RKDXNWHRSA-N 1 0 270.174 2.031 10 0 CEAERO C[C@@H]1CN(c2cccc(C(F)(F)F)n2)CC[C@@H]1[NH3+] ZINC000094342654 274365581 /nfs/dbraw/zinc/36/55/81/274365581.db2.gz QBAJBTVJGRHWCH-BDAKNGLRSA-N 1 0 259.275 2.274 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1c1ncc(Br)cc1Cl ZINC000261534074 274438568 /nfs/dbraw/zinc/43/85/68/274438568.db2.gz LSHUNLLURVGNSU-HZGVNTEJSA-N 1 0 290.592 2.423 10 0 CEAERO FC(F)(F)c1cc(N2CC[C@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000261593014 274906417 /nfs/dbraw/zinc/90/64/17/274906417.db2.gz MSXNPQCOBSOXQG-UWVGGRQHSA-N 1 0 271.286 2.146 10 0 CEAERO [NH3+][C@@H]1CCN(c2ncc(Cl)cc2Br)C1 ZINC000162814364 274958705 /nfs/dbraw/zinc/95/87/05/274958705.db2.gz VQCXVYSKAAJFCA-SSDOTTSWSA-N 1 0 276.565 2.035 10 0 CEAERO C(C[N@@H+]1CCO[C@@H]2CCCC[C@H]21)O[C@H]1CCCCO1 ZINC000248503657 275392683 /nfs/dbraw/zinc/39/26/83/275392683.db2.gz VCPGOSMUNIOHBS-KFWWJZLASA-N 1 0 269.385 2.173 10 0 CEAERO C[C@@H]1CN(C(=O)C2(c3ccccc3)CCCC2)C[C@H]1[NH3+] ZINC000335483050 287868760 /nfs/dbraw/zinc/86/87/60/287868760.db2.gz IYRMEKRSQGBOGH-UKRRQHHQSA-N 1 0 272.392 2.304 10 0 CEAERO CC1(C)Cc2occc2[C@H]([NH2+][C@H]2CCc3ncnn3C2)C1 ZINC000180601139 276152336 /nfs/dbraw/zinc/15/23/36/276152336.db2.gz XHGTZWKCFURLOO-WCQYABFASA-N 1 0 286.379 2.489 10 0 CEAERO CCC[C@@H](C(=O)N(C)Cc1ncc(CC)s1)[NH+](C)C ZINC000128767001 276268693 /nfs/dbraw/zinc/26/86/93/276268693.db2.gz MKHJFUQRFPJUEE-LBPRGKRZSA-N 1 0 283.441 2.394 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C[C@H](O)C1CCCCC1 ZINC000158478016 276370635 /nfs/dbraw/zinc/37/06/35/276370635.db2.gz ZNSXUKPMCQZJLI-CVEARBPZSA-N 1 0 268.445 2.344 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H]3CCC[C@@H]32)C1 ZINC000174237536 276374780 /nfs/dbraw/zinc/37/47/80/276374780.db2.gz GFBHZXQRXCRIQB-ILXRZTDVSA-N 1 0 279.428 2.445 10 0 CEAERO CC[C@@H](COC)[NH2+][C@H]1CC(=O)N(C)c2ccccc21 ZINC000079733175 276428133 /nfs/dbraw/zinc/42/81/33/276428133.db2.gz WLOWUFVOSMCNOT-AAEUAGOBSA-N 1 0 262.353 2.109 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000234431903 277041464 /nfs/dbraw/zinc/04/14/64/277041464.db2.gz NGKDQIPRHKBMPV-UTLUCORTSA-N 1 0 266.307 2.079 10 0 CEAERO COC1(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)CCC1 ZINC000336190623 277185833 /nfs/dbraw/zinc/18/58/33/277185833.db2.gz IVYXGMIATULFAL-UKRRQHHQSA-N 1 0 253.386 2.183 10 0 CEAERO CN1C[C@H](O)C[C@H]1C[NH2+]C1CCC2(CCCC2)CC1 ZINC000335180740 277205500 /nfs/dbraw/zinc/20/55/00/277205500.db2.gz RAYJKQSETMKWCH-LSDHHAIUSA-N 1 0 266.429 2.144 10 0 CEAERO CC(C)(C)OC[C@@H](O)CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000069607907 277215653 /nfs/dbraw/zinc/21/56/53/277215653.db2.gz ITFWRGWCCPCKGV-CVEARBPZSA-N 1 0 298.471 2.113 10 0 CEAERO CC(C)CCC[N@@H+]1CCC[C@@H]([NH+](C)CC(=O)[O-])CC1 ZINC000263517180 277351003 /nfs/dbraw/zinc/35/10/03/277351003.db2.gz PDRHZCFBQHANGU-CQSZACIVSA-N 1 0 270.417 2.294 10 0 CEAERO CC(C)C[C@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261661491 277499418 /nfs/dbraw/zinc/49/94/18/277499418.db2.gz 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MDJPFEYVUORING-OAHLLOKOSA-N 1 0 298.390 2.260 10 0 CEAERO C[C@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1c(F)cccc1F ZINC000245730746 289287881 /nfs/dbraw/zinc/28/78/81/289287881.db2.gz YRRPKYWIZKWDGU-RYUDHWBXSA-N 1 0 294.345 2.375 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1C(=O)[C@H]1Cc2ccccc2S1 ZINC000092231874 295245633 /nfs/dbraw/zinc/24/56/33/295245633.db2.gz XERWDAUEPJREKY-GXTWGEPZSA-N 1 0 276.405 2.043 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000061883006 295272540 /nfs/dbraw/zinc/27/25/40/295272540.db2.gz WNDBSBNWUHSKGJ-QUDLODQRSA-N 1 0 276.424 2.446 10 0 CEAERO O=C(NCC12CC3CC(CC(C3)C1)C2)[C@H]1CCC[NH2+]C1 ZINC000040850519 295634215 /nfs/dbraw/zinc/63/42/15/295634215.db2.gz ONEMFXSHRJMAAJ-RDVIWEACSA-N 1 0 276.424 2.319 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)C1CCC(C)(C)CC1 ZINC000094858760 297110636 /nfs/dbraw/zinc/11/06/36/297110636.db2.gz LWIAOFSXXKIOOW-DGCLKSJQSA-N 1 0 252.402 2.269 10 0 CEAERO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000262047503 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[NH3+][C@@H]1CCC[C@H]1CC(=O)NC1CCC2(CCOCC2)CC1 ZINC000261663945 303466744 /nfs/dbraw/zinc/46/67/44/303466744.db2.gz FIUYEEOTDQJWPF-DZGCQCFKSA-N 1 0 294.439 2.360 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000085364444 303484837 /nfs/dbraw/zinc/48/48/37/303484837.db2.gz DYMKUNMGLFXSDH-TVUZUIDESA-N 1 0 278.318 2.351 10 0 CEAERO CCS(=O)(=O)c1ccccc1N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000382456727 321840099 /nfs/dbraw/zinc/84/00/99/321840099.db2.gz RFXPDIPYHHYMSE-VXGBXAGGSA-N 1 0 282.409 2.020 10 0 CEAERO COc1cc(C)ccc1[C@H](C)[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000392873815 329059550 /nfs/dbraw/zinc/05/95/50/329059550.db2.gz FOUQFAASTYABNO-OBJOEFQTSA-N 1 0 276.380 2.321 10 0 CEAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1nc2ccccc2s1 ZINC000392915015 329065695 /nfs/dbraw/zinc/06/56/95/329065695.db2.gz VEMVSTZLAHXRAS-NXEZZACHSA-N 1 0 275.377 2.053 10 0 CEAERO COC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000394586628 329127681 /nfs/dbraw/zinc/12/76/81/329127681.db2.gz JZAXRMIOFXSNKJ-ZANVPECISA-N 1 0 259.296 2.013 10 0 CEAERO C[C@@H]1CCCN([C@H]2C[NH2+]C[C@@H](C(=O)OC(C)(C)C)C2)C1 ZINC000536960844 330384191 /nfs/dbraw/zinc/38/41/91/330384191.db2.gz UEYACEUEEIQLQV-HZSPNIEDSA-N 1 0 282.428 2.038 10 0 CEAERO C[C@@H]1C[C@]2(C[NH3+])C[N@H+](Cc3ccccc3)CC[C@H]2O1 ZINC000536961248 330384202 /nfs/dbraw/zinc/38/42/02/330384202.db2.gz WPMADSWDBYDZNZ-BMFZPTHFSA-N 1 0 260.381 2.015 10 0 CEAERO CC(C)(C)[NH2+]Cc1nccn1Cc1cscn1 ZINC000051015384 518769055 /nfs/dbraw/zinc/76/90/55/518769055.db2.gz COXBRVHVWXXVEO-UHFFFAOYSA-N 1 0 250.371 2.276 10 0 CEAERO CC(C)N(CC(F)(F)F)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000055089516 519638169 /nfs/dbraw/zinc/63/81/69/519638169.db2.gz IEOALPURGSVBNM-VHSXEESVSA-N 1 0 266.307 2.303 10 0 CEAERO CC(C)N(CC(F)(F)F)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055089511 519638227 /nfs/dbraw/zinc/63/82/27/519638227.db2.gz IEOALPURGSVBNM-UWVGGRQHSA-N 1 0 266.307 2.303 10 0 CEAERO CC(C)[NH2+]CC1(CCS(C)(=O)=O)CCCCC1 ZINC000054654992 519719819 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ZINC000061293480 519917215 /nfs/dbraw/zinc/91/72/15/519917215.db2.gz UWNALGDLFAGDON-SECBINFHSA-N 1 0 256.296 2.142 10 0 CEAERO CC[NH2+]CCC(=O)N[C@H](C)c1cc(F)ccc1OC ZINC000061292821 519917347 /nfs/dbraw/zinc/91/73/47/519917347.db2.gz OKSNOKRLUXCYLS-SNVBAGLBSA-N 1 0 268.332 2.011 10 0 CEAERO CC[NH2+]CCC(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000061298740 519916669 /nfs/dbraw/zinc/91/66/69/519916669.db2.gz RUYNJBXMZZBPJA-UHFFFAOYSA-N 1 0 290.285 2.201 10 0 CEAERO CCC[NH2+]C[C@@H]1C[C@@]1(C)c1ccc(S(C)(=O)=O)cc1 ZINC000054593659 519927057 /nfs/dbraw/zinc/92/70/57/519927057.db2.gz JBLODSHSOCUYRB-ZFWWWQNUSA-N 1 0 281.421 2.367 10 0 CEAERO CC[NH2+]CCc1nnc(-c2ccc(F)cc2F)o1 ZINC000050619693 519929231 /nfs/dbraw/zinc/92/92/31/519929231.db2.gz MEMREBGLMOAENZ-UHFFFAOYSA-N 1 0 253.252 2.167 10 0 CEAERO CCC[NH2+]C[C@H](CC)N1CCN(c2nccs2)CC1 ZINC000052417627 519932322 /nfs/dbraw/zinc/93/23/22/519932322.db2.gz ZDBPHGWIEGTMOA-ZDUSSCGKSA-N 1 0 282.457 2.043 10 0 CEAERO CC[NH2+]C[C@@H]1OCCN(C)[C@@H]1c1cc(C)ccc1C ZINC000070285138 519956076 /nfs/dbraw/zinc/95/60/76/519956076.db2.gz CLEFVNGRQAPDGN-JKSUJKDBSA-N 1 0 262.397 2.285 10 0 CEAERO CCC[NH2+]Cc1ccnc(N(C)CCCOC)c1 ZINC000062035894 519959093 /nfs/dbraw/zinc/95/90/93/519959093.db2.gz OKNYECFWHIVCRV-UHFFFAOYSA-N 1 0 251.374 2.054 10 0 CEAERO CC[NH2+]C[C@H]1CC[C@@H](CN(C)c2ccccc2F)O1 ZINC000052543123 519977464 /nfs/dbraw/zinc/97/74/64/519977464.db2.gz BYQJSPTYEMQQQI-OLZOCXBDSA-N 1 0 266.360 2.419 10 0 CEAERO CCCN[C@@H](CC[NH+]1CCC(C)(C)CC1)C(=O)OCC ZINC000062532955 519998352 /nfs/dbraw/zinc/99/83/52/519998352.db2.gz OJUZDQICYSJURE-AWEZNQCLSA-N 1 0 284.444 2.430 10 0 CEAERO CCC[NH2+][C@@H](CN(C)CCc1ccncc1)C1CC1 ZINC000069073980 520008381 /nfs/dbraw/zinc/00/83/81/520008381.db2.gz LTUNGYRORHTEHS-INIZCTEOSA-N 1 0 261.413 2.334 10 0 CEAERO CCCN[C@H](CC[N@H+]1C[C@H](C)C[C@H](C)C1)C(=O)OCC ZINC000062439367 520076783 /nfs/dbraw/zinc/07/67/83/520076783.db2.gz HFKRXPADCNKNJD-QLFBSQMISA-N 1 0 284.444 2.286 10 0 CEAERO CCC[NH2+][C@H](CC[NH+]1[C@@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000062443521 520077453 /nfs/dbraw/zinc/07/74/53/520077453.db2.gz WPQQQQKNYFKJOB-RWMBFGLXSA-N 1 0 256.390 2.092 10 0 CEAERO CC[NH2+][C@@H](CCCS(C)(=O)=O)Cc1ccc(OC)cc1 ZINC000063017078 520083013 /nfs/dbraw/zinc/08/30/13/520083013.db2.gz LLSXAKKXUTXGQW-AWEZNQCLSA-N 1 0 299.436 2.041 10 0 CEAERO CCC[NH2+][C@H](CS(C)(=O)=O)c1ccc(OCC)cc1 ZINC000054930567 520084291 /nfs/dbraw/zinc/08/42/91/520084291.db2.gz CWEDOJNOYVUGJD-CQSZACIVSA-N 1 0 285.409 2.171 10 0 CEAERO CCCN[C@](C)(C[C@@H](C)[N@H+](CC(C)C)C1CC1)C(N)=O ZINC000068632886 520109384 /nfs/dbraw/zinc/10/93/84/520109384.db2.gz TVKIBCLOWNEVTK-CZUORRHYSA-N 1 0 283.460 2.129 10 0 CEAERO CCCCC[N@H+](C)C[C@@](NC1CC1)(C(=O)OC)C1CC1 ZINC000069098331 520151187 /nfs/dbraw/zinc/15/11/87/520151187.db2.gz PDKZTAHJULSERS-INIZCTEOSA-N 1 0 282.428 2.182 10 0 CEAERO CC[NH2+][C@H](CCOC)c1ccc(OC)cc1OC ZINC000055232914 520191840 /nfs/dbraw/zinc/19/18/40/520191840.db2.gz AGKAGVOQNRNRKK-CYBMUJFWSA-N 1 0 253.342 2.391 10 0 CEAERO CCN[C@](C)(C[C@H](C)[N@H+](CC)CC1CC1)C(=O)OCC ZINC000068647660 520241304 /nfs/dbraw/zinc/24/13/04/520241304.db2.gz PXGUPRGHUFMBCX-XJKSGUPXSA-N 1 0 284.444 2.428 10 0 CEAERO CCCCN(CCCC)C(=O)CN1CCCC[C@@H]1C[NH2+]C ZINC000063168802 520490445 /nfs/dbraw/zinc/49/04/45/520490445.db2.gz APYGVVSPRAXCMR-MRXNPFEDSA-N 1 0 297.487 2.489 10 0 CEAERO CCCCOCCn1nc(C)c(C[C@H](C)[NH3+])c1C ZINC000054741146 520796439 /nfs/dbraw/zinc/79/64/39/520796439.db2.gz AWWXWTNFGADUBX-NSHDSACASA-N 1 0 253.390 2.206 10 0 CEAERO CC[NH+](CC)c1ccc(NCc2cn(C)nn2)cc1 ZINC000054859395 520918834 /nfs/dbraw/zinc/91/88/34/520918834.db2.gz IKGLFWZLKZJIQH-UHFFFAOYSA-N 1 0 259.357 2.273 10 0 CEAERO CCCC[C@@H](C)NS(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000050888235 521009299 /nfs/dbraw/zinc/00/92/99/521009299.db2.gz JXWSDSRQVUYPMC-LLVKDONJSA-N 1 0 270.398 2.002 10 0 CEAERO CCOC(=O)[C@@H](CC[N@H+]1C[C@H](C)C[C@H](C)C1)NC(C)C ZINC000062439370 521058813 /nfs/dbraw/zinc/05/88/13/521058813.db2.gz CLLSFBSBDYYRDQ-QLFBSQMISA-N 1 0 284.444 2.284 10 0 CEAERO CCC(C)(C)[N@H+](C)C[C@@](NC1CC1)(C(=O)OC)C1CC1 ZINC000069446894 521305139 /nfs/dbraw/zinc/30/51/39/521305139.db2.gz AQLRZHBLLVXCTF-INIZCTEOSA-N 1 0 282.428 2.181 10 0 CEAERO CCC[C@]1(C(=O)N[C@@H](C)c2ccccn2)CC[NH2+]C1 ZINC000062890674 521300386 /nfs/dbraw/zinc/30/03/86/521300386.db2.gz NKZMXCNKWKOGKA-WFASDCNBSA-N 1 0 261.369 2.039 10 0 CEAERO CCOC1CCN([C@@H](C[NH2+]C2CC2)C(C)C)CC1 ZINC000052483920 521657074 /nfs/dbraw/zinc/65/70/74/521657074.db2.gz KPJPXXBAGISSPH-HNNXBMFYSA-N 1 0 254.418 2.264 10 0 CEAERO CCC1(C)CC[NH+]([C@@H](C)C[C@](C)(NC)C(=O)OC)CC1 ZINC000068645179 521678144 /nfs/dbraw/zinc/67/81/44/521678144.db2.gz JHJPREOWZKCLJP-BBRMVZONSA-N 1 0 284.444 2.428 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000061316894 521933692 /nfs/dbraw/zinc/93/36/92/521933692.db2.gz WTEAJECILYLRIH-JTQLQIEISA-N 1 0 252.383 2.410 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N[C@@H](C)c1ccccc1OC(F)F ZINC000061316262 521937371 /nfs/dbraw/zinc/93/73/71/521937371.db2.gz IMDRDPZYHNROIN-VIFPVBQESA-N 1 0 286.322 2.463 10 0 CEAERO C[NH2+]C[C@@H]1CC[C@@H](COc2cccc(F)c2F)O1 ZINC000062654271 522058427 /nfs/dbraw/zinc/05/84/27/522058427.db2.gz YUBRIDKQBLPGPH-UWVGGRQHSA-N 1 0 257.280 2.111 10 0 CEAERO CC[C@H]([NH3+])Cc1noc(CCc2ccccc2C)n1 ZINC000054184491 522336072 /nfs/dbraw/zinc/33/60/72/522336072.db2.gz KCUZXNGKBGYXST-ZDUSSCGKSA-N 1 0 259.353 2.443 10 0 CEAERO C[NH2+][C@@H](CS(C)(=O)=O)c1ccccc1C(F)(F)F ZINC000055234088 522357782 /nfs/dbraw/zinc/35/77/82/522357782.db2.gz JKVOGIAMCSFNEU-JTQLQIEISA-N 1 0 281.299 2.011 10 0 CEAERO CCc1nc(NC(=O)C2CCC([NH3+])CC2)sc1C ZINC000049184634 522390530 /nfs/dbraw/zinc/39/05/30/522390530.db2.gz HUHKLFAOTFPVGQ-UHFFFAOYSA-N 1 0 267.398 2.470 10 0 CEAERO C[NH2+][C@H](C)C(=O)Nc1ccc(Br)cc1C ZINC000052395612 522438311 /nfs/dbraw/zinc/43/83/11/522438311.db2.gz IREPBJNBJXRYSG-MRVPVSSYSA-N 1 0 271.158 2.304 10 0 CEAERO C[C@H]([NH2+]C[C@@H]1CCCO1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400427983 533881947 /nfs/dbraw/zinc/88/19/47/533881947.db2.gz ZDDSFXNZQLHVMH-MJBXVCDLSA-N 1 0 298.427 2.401 10 0 CEAERO COC(=O)Nc1cccc(N[C@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000400469044 534199638 /nfs/dbraw/zinc/19/96/38/534199638.db2.gz UPDMPCXOOYLIGM-MNOVXSKESA-N 1 0 263.341 2.275 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C)CN1c1cc(OC)cc(OC)c1 ZINC000083479478 536169639 /nfs/dbraw/zinc/16/96/39/536169639.db2.gz IWEFCGLQYXFMRY-NEPJUHHUSA-N 1 0 264.369 2.281 10 0 CEAERO CC(C)(C)CC[NH2+]CCN1CCN(c2nccs2)CC1 ZINC000053345452 518653329 /nfs/dbraw/zinc/65/33/29/518653329.db2.gz TYOMHBUBPWGOMP-UHFFFAOYSA-N 1 0 296.484 2.291 10 0 CEAERO CC(C)(C)[NH2+]C[C@H]1CC[C@@H](Cn2nnc3ccccc32)O1 ZINC000052576716 518762638 /nfs/dbraw/zinc/76/26/38/518762638.db2.gz UAONSMMIKLAFQN-OLZOCXBDSA-N 1 0 288.395 2.367 10 0 CEAERO CC(C)(C)[NH2+]Cc1cc(F)ccc1N1CC[C@H](O)C1 ZINC000062738256 518764140 /nfs/dbraw/zinc/76/41/40/518764140.db2.gz BUHHXAZHLWUSOD-ZDUSSCGKSA-N 1 0 266.360 2.285 10 0 CEAERO CC(C)(C)[C@H]1CN(CCOc2ccccc2)CC[NH2+]1 ZINC000068692738 518981614 /nfs/dbraw/zinc/98/16/14/518981614.db2.gz FCEBGKAPQJMXNW-OAHLLOKOSA-N 1 0 262.397 2.385 10 0 CEAERO CC(C)C[C@H](CN(C)C)[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000049555628 519340010 /nfs/dbraw/zinc/34/00/10/519340010.db2.gz BJOMPMNXPNHLRY-HZPDHXFCSA-N 1 0 282.403 2.425 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1nc(N)ccc1Cl ZINC000050707868 519340939 /nfs/dbraw/zinc/34/09/39/519340939.db2.gz LRXUCVNITZXAJZ-SNVBAGLBSA-N 1 0 298.818 2.023 10 0 CEAERO CC(C)N(CCC[NH3+])C(=O)c1cccc2cccnc21 ZINC000061410307 519643049 /nfs/dbraw/zinc/64/30/49/519643049.db2.gz ACNKCWFTSWXECX-UHFFFAOYSA-N 1 0 271.364 2.434 10 0 CEAERO CC(C)[NH+]1CCN(c2nc3c(s2)[C@@H](O)CCC3)CC1 ZINC000054911184 519683381 /nfs/dbraw/zinc/68/33/81/519683381.db2.gz NXAREZCNRKALBS-LBPRGKRZSA-N 1 0 281.425 2.043 10 0 CEAERO CC(C)[N@@H+]1CC[C@@H](Cn2cnc3cc(N)ccc32)C1 ZINC000052853834 519686593 /nfs/dbraw/zinc/68/65/93/519686593.db2.gz LKIZJXRUACWZPW-GFCCVEGCSA-N 1 0 258.369 2.349 10 0 CEAERO CC(C)[N@@H+]1CC[C@H](Nc2cccnc2-n2cccn2)C1 ZINC000045654345 519690737 /nfs/dbraw/zinc/69/07/37/519690737.db2.gz MKXMZCLBSLDMKL-ZDUSSCGKSA-N 1 0 271.368 2.162 10 0 CEAERO CC(C)C[N@H+](CCN(C)C)CC1(CO)CCCC1 ZINC000051294101 519716206 /nfs/dbraw/zinc/71/62/06/519716206.db2.gz AKULLVRBWCNWIE-UHFFFAOYSA-N 1 0 256.434 2.059 10 0 CEAERO CC(C)[NH2+]CCCc1cnn(-c2ccc(Cl)nn2)c1 ZINC000054670223 519721501 /nfs/dbraw/zinc/72/15/01/519721501.db2.gz IENVPGLHVOSQLG-UHFFFAOYSA-N 1 0 279.775 2.246 10 0 CEAERO CC(C)[NH2+]CCc1nnc([C@H]2COc3ccccc3O2)o1 ZINC000050620228 519722571 /nfs/dbraw/zinc/72/25/71/519722571.db2.gz KPZLIMXONALMRL-CYBMUJFWSA-N 1 0 289.335 2.123 10 0 CEAERO CC(C)[NH2+]C[C@@H](C(C)C)N1CCN(c2ccccn2)CC1 ZINC000052418533 519722673 /nfs/dbraw/zinc/72/26/73/519722673.db2.gz DNPLGEADTUCPPN-INIZCTEOSA-N 1 0 290.455 2.226 10 0 CEAERO CC(C)[NH2+]C[C@@H](C)CN1CCN(c2ccccc2)CC1 ZINC000052417298 519722837 /nfs/dbraw/zinc/72/28/37/519722837.db2.gz RPWNDODFGBCQFJ-MRXNPFEDSA-N 1 0 275.440 2.443 10 0 CEAERO CC(C)[NH2+]C[C@@H]1OCCN(C)[C@@H]1c1c(F)cccc1F ZINC000070287499 519724362 /nfs/dbraw/zinc/72/43/62/519724362.db2.gz WGNFTUOBJFAINL-ZFWWWQNUSA-N 1 0 284.350 2.335 10 0 CEAERO CC(C)[NH2+]C[C@@]1(CN2CCc3ccccc32)CCOC1 ZINC000051206718 519724467 /nfs/dbraw/zinc/72/44/67/519724467.db2.gz DAKGQQMKXDUZPM-QGZVFWFLSA-N 1 0 274.408 2.454 10 0 CEAERO CC(C)C[NH+]1CCN(C[C@@](C)(CO)c2ccccc2)CC1 ZINC000055082270 519726636 /nfs/dbraw/zinc/72/66/36/519726636.db2.gz NQONUQAOOHNTMZ-SFHVURJKSA-N 1 0 290.451 2.210 10 0 CEAERO CC(C)C[NH+]1CCN(C[C@@H]2C[C@@H](C)CC[C@@H]2O)CC1 ZINC000055082314 519726657 /nfs/dbraw/zinc/72/66/57/519726657.db2.gz VOBRCANCOZCSEY-JYJNAYRXSA-N 1 0 268.445 2.057 10 0 CEAERO CC(C)C[NH+]1CCN(C[C@H]2C[C@H](C)CCC2=O)CC1 ZINC000055081610 519726688 /nfs/dbraw/zinc/72/66/88/519726688.db2.gz PHYGCXVZMCNKFS-HUUCEWRRSA-N 1 0 266.429 2.265 10 0 CEAERO CC(C)[NH2+]Cc1nccn1CCOc1ccccc1 ZINC000051005449 519728949 /nfs/dbraw/zinc/72/89/49/519728949.db2.gz PLALAMCDSSJNND-UHFFFAOYSA-N 1 0 259.353 2.460 10 0 CEAERO CC(C)[NH2+][C@H](CCOc1ccc2ccccc2c1)C(N)=O ZINC000062550790 519738293 /nfs/dbraw/zinc/73/82/93/519738293.db2.gz MMVZVDAHADDGBC-MRXNPFEDSA-N 1 0 286.375 2.461 10 0 CEAERO CC(C)C[NH2+]CC[C@H](C)N1CCN(c2ccccn2)CC1 ZINC000052418638 519744482 /nfs/dbraw/zinc/74/44/82/519744482.db2.gz MTSUDVCUHMRFQI-INIZCTEOSA-N 1 0 290.455 2.228 10 0 CEAERO CC(C)C[NH2+]C[C@H]1CCCN(c2ncnc3c2CCC3)C1 ZINC000061278333 519746083 /nfs/dbraw/zinc/74/60/83/519746083.db2.gz OKPXIERBSGICLI-CQSZACIVSA-N 1 0 288.439 2.427 10 0 CEAERO CC(C)C[NH2+]C[C@H](CC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000052952120 519746111 /nfs/dbraw/zinc/74/61/11/519746111.db2.gz VHWRTHOVMYZLDD-KBPBESRZSA-N 1 0 275.458 2.329 10 0 CEAERO CC(C)C[NH2+]Cc1nnnn1-c1ccccc1OC(F)F ZINC000054745023 519748837 /nfs/dbraw/zinc/74/88/37/519748837.db2.gz LTROWZPCKKGTMG-UHFFFAOYSA-N 1 0 297.309 2.009 10 0 CEAERO CC(C)Oc1cccc(C(=O)N2CCCC[C@H]2C[NH3+])c1 ZINC000061666832 519782355 /nfs/dbraw/zinc/78/23/55/519782355.db2.gz JYZAKSIKXJKMSP-AWEZNQCLSA-N 1 0 276.380 2.427 10 0 CEAERO CC(C)Oc1cccc(C(=O)NCCC[NH2+]C2CC2)c1 ZINC000061666808 519782386 /nfs/dbraw/zinc/78/23/86/519782386.db2.gz JJKJGYQTHYQTFA-UHFFFAOYSA-N 1 0 276.380 2.346 10 0 CEAERO CC(C)[C@@H](CN(C)C)[NH2+][C@@H]1COc2cc(O)ccc21 ZINC000049196406 519793951 /nfs/dbraw/zinc/79/39/51/519793951.db2.gz ZDQJFKGXXUGEQB-ZIAGYGMSSA-N 1 0 264.369 2.002 10 0 CEAERO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000262639561 519807123 /nfs/dbraw/zinc/80/71/23/519807123.db2.gz QVKQGZJGMSXFDZ-DLTWYDFYSA-N 1 0 296.455 2.190 10 0 CEAERO CC(C)[C@H](C[NH2+]C1CC1)Cc1nnnn1-c1ccccc1 ZINC000052972589 519815756 /nfs/dbraw/zinc/81/57/56/519815756.db2.gz GLGJSGQSBKEGAR-ZDUSSCGKSA-N 1 0 285.395 2.229 10 0 CEAERO CC(C)[C@H]([NH2+]C[C@H]1CN(C)CCN1C)c1cccs1 ZINC000068802621 519820903 /nfs/dbraw/zinc/82/09/03/519820903.db2.gz BNADLJDSOZRPGB-ZFWWWQNUSA-N 1 0 281.469 2.281 10 0 CEAERO CC(C)c1ccc(C[NH2+]Cc2cnn(CCO)c2)cc1 ZINC000068691838 519836257 /nfs/dbraw/zinc/83/62/57/519836257.db2.gz GYSIOYKOAZZGAR-UHFFFAOYSA-N 1 0 273.380 2.289 10 0 CEAERO CC(C)c1cccc(OCC(=O)N[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000158044907 519842731 /nfs/dbraw/zinc/84/27/31/519842731.db2.gz HJFCMLFUAFEUCO-ZBFHGGJFSA-N 1 0 290.407 2.432 10 0 CEAERO CCC[NH+]1CCC(NC(=O)c2cc(C)ccc2N)CC1 ZINC000053005379 519846086 /nfs/dbraw/zinc/84/60/86/519846086.db2.gz RGFRZKJRICIZSQ-UHFFFAOYSA-N 1 0 275.396 2.181 10 0 CEAERO CCC[NH+]1CCC(NC(=O)c2ccc(NCC)nc2)CC1 ZINC000050790060 519846569 /nfs/dbraw/zinc/84/65/69/519846569.db2.gz ZNFARWCSTRFBHT-UHFFFAOYSA-N 1 0 290.411 2.118 10 0 CEAERO CCC[NH+]1CCN(c2nc(C)c([C@H](C)O)s2)CC1 ZINC000054910152 519860608 /nfs/dbraw/zinc/86/06/08/519860608.db2.gz DYIQBCOSULJUAA-NSHDSACASA-N 1 0 269.414 2.037 10 0 CEAERO CC(C)c1[nH+]c2cc(N)ccc2n1C[C@H]1COCCO1 ZINC000052853637 519869301 /nfs/dbraw/zinc/86/93/01/519869301.db2.gz YGKBGZARGDFUMK-LBPRGKRZSA-N 1 0 275.352 2.157 10 0 CEAERO CCCNC(=O)COc1ccccc1C[NH2+]CC(C)C ZINC000062729385 519881693 /nfs/dbraw/zinc/88/16/93/519881693.db2.gz 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CC[NH2+][C@H](CC)c1ccc(O[C@H](CC)C(N)=O)cc1 ZINC000061675873 520184957 /nfs/dbraw/zinc/18/49/57/520184957.db2.gz UODIHLQYSNFRTA-ZIAGYGMSSA-N 1 0 264.369 2.390 10 0 CEAERO CC[NH2+][C@H](CCOc1ccc(C(C)C)cc1)C(N)=O ZINC000062547892 520191081 /nfs/dbraw/zinc/19/10/81/520191081.db2.gz IWPZIAKBKAAENU-CQSZACIVSA-N 1 0 264.369 2.042 10 0 CEAERO CC[NH2+][C@H](Cc1ccc(OC)c(OC)c1)c1cncnc1 ZINC000052887254 520202563 /nfs/dbraw/zinc/20/25/63/520202563.db2.gz YAADJKHBOGHVEU-CQSZACIVSA-N 1 0 287.363 2.387 10 0 CEAERO CC[NH2+][C@H](Cc1cccc(OC)c1)c1nccn1C ZINC000069473613 520202598 /nfs/dbraw/zinc/20/25/98/520202598.db2.gz PSHTYZHYSMLMPS-CQSZACIVSA-N 1 0 259.353 2.322 10 0 CEAERO CC[NH2+][C@H](Cc1nc(C)cs1)c1cccnc1N ZINC000070321179 520205642 /nfs/dbraw/zinc/20/56/42/520205642.db2.gz RJIXNFMGFNVMCX-LLVKDONJSA-N 1 0 262.382 2.322 10 0 CEAERO CCOCc1ccccc1NC(=O)CC[C@@H](C)[NH3+] ZINC000070315040 520217677 /nfs/dbraw/zinc/21/76/77/520217677.db2.gz NNUUNQXBJVLIFY-LLVKDONJSA-N 1 0 250.342 2.289 10 0 CEAERO CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1N(C)CCOC ZINC000054555354 520219516 /nfs/dbraw/zinc/21/95/16/520219516.db2.gz WIODYYJSBSQOGI-KKUMJFAQSA-N 1 0 256.434 2.367 10 0 CEAERO CC[NH2+][C@H]1CCc2c1cccc2OCC(=O)NC(C)C ZINC000062799789 520219952 /nfs/dbraw/zinc/21/99/52/520219952.db2.gz BZZKOJYHQUCWMX-AWEZNQCLSA-N 1 0 276.380 2.187 10 0 CEAERO CC[NH2+][C@H]1COc2cc(O[C@@H]3CCC[C@@H]3O)ccc21 ZINC000062804752 520220638 /nfs/dbraw/zinc/22/06/38/520220638.db2.gz XJLAGLHXBIFNOC-MELADBBJSA-N 1 0 263.337 2.022 10 0 CEAERO CCN[C@](C[NH+]1CCC(CC)(CC)CC1)(C(N)=O)C1CC1 ZINC000069232560 520247063 /nfs/dbraw/zinc/24/70/63/520247063.db2.gz LXESMFVREFJPAX-KRWDZBQOSA-N 1 0 295.471 2.132 10 0 CEAERO CCCOC[C@H](CCOCC(F)(F)F)[NH2+]CC ZINC000060702177 520257583 /nfs/dbraw/zinc/25/75/83/520257583.db2.gz YSWAGAIMBGWGOX-JTQLQIEISA-N 1 0 257.296 2.360 10 0 CEAERO CCCO[C@H]1CCC[N@H+](Cc2cccnc2C(N)=S)C1 ZINC000061659916 520285171 /nfs/dbraw/zinc/28/51/71/520285171.db2.gz AVZTYVVMPQIRHY-ZDUSSCGKSA-N 1 0 293.436 2.107 10 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2.237 10 0 CEAERO CCCC[N@H+](C)C[C@@](NCCC)(C(=O)OCC)C1CC1 ZINC000069088880 520413471 /nfs/dbraw/zinc/41/34/71/520413471.db2.gz POUPCUUSEAKGAH-INIZCTEOSA-N 1 0 284.444 2.430 10 0 CEAERO CCCCN(C)c1ncc(C[NH2+]CCOC)s1 ZINC000054901489 520438993 /nfs/dbraw/zinc/43/89/93/520438993.db2.gz DPDCOHCCQNNGLH-UHFFFAOYSA-N 1 0 257.403 2.115 10 0 CEAERO CCCOc1cccc(C(=O)N2[C@H](C)C[NH2+]C[C@@H]2C)c1 ZINC000069133463 520442261 /nfs/dbraw/zinc/44/22/61/520442261.db2.gz XGRUPQJKWHHSFZ-BETUJISGSA-N 1 0 276.380 2.298 10 0 CEAERO CCCOc1ccccc1OCCC[C@@](C)([NH2+]C)C(N)=O ZINC000045502699 520484476 /nfs/dbraw/zinc/48/44/76/520484476.db2.gz QDZQIPADCATRPC-MRXNPFEDSA-N 1 0 294.395 2.098 10 0 CEAERO CCO[C@H]1CCCN(c2nc(C)c(C[NH2+]C)s2)C1 ZINC000055002333 520529426 /nfs/dbraw/zinc/52/94/26/520529426.db2.gz VMKCCAZCQHZXBU-NSHDSACASA-N 1 0 269.414 2.176 10 0 CEAERO CCCCNC(=O)COc1cccc([C@H](C)[NH3+])c1 ZINC000049279651 520624258 /nfs/dbraw/zinc/62/42/58/520624258.db2.gz HHAGTRFCDFGSAP-NSHDSACASA-N 1 0 250.342 2.001 10 0 CEAERO CCC[C@@H](C)[NH2+]C[C@H](C)N1CCN(CC(F)(F)F)CC1 ZINC000053489154 520666190 /nfs/dbraw/zinc/66/61/90/520666190.db2.gz JYHVNYJELDMCRT-OLZOCXBDSA-N 1 0 295.393 2.333 10 0 CEAERO CCCCOC(=O)COc1ccccc1C[NH2+]CCOC ZINC000062729701 520712911 /nfs/dbraw/zinc/71/29/11/520712911.db2.gz CKBVVYUIHGZCLE-UHFFFAOYSA-N 1 0 295.379 2.145 10 0 CEAERO CCOC(=O)CC[C@H]([NH3+])Cc1ccc(Br)o1 ZINC000069605560 520714356 /nfs/dbraw/zinc/71/43/56/520714356.db2.gz UPGOPLAUXJPKEP-QMMMGPOBSA-N 1 0 290.157 2.255 10 0 CEAERO CC[NH+](CC)C[C@@H](C)Nc1nc(Cl)nc(Cl)n1 ZINC000061519073 520723357 /nfs/dbraw/zinc/72/33/57/520723357.db2.gz VEVNNPRPDDLONU-SSDOTTSWSA-N 1 0 278.187 2.321 10 0 CEAERO CCCCOCCC1(C[NH2+]CCOC)CCOCC1 ZINC000061674666 520744802 /nfs/dbraw/zinc/74/48/02/520744802.db2.gz DVNDJFFOSKMKET-UHFFFAOYSA-N 1 0 273.417 2.226 10 0 CEAERO CC1(NC(=O)c2c[nH+]c(NN)c(Cl)c2)CCCCC1 ZINC000051115974 520766312 /nfs/dbraw/zinc/76/63/12/520766312.db2.gz LRHFMRMHKPKJQC-UHFFFAOYSA-N 1 0 282.775 2.473 10 0 CEAERO CCC[C@@H]([NH2+]C[C@@H](C)N1CCOCC1)c1cccnc1 ZINC000184934024 520775880 /nfs/dbraw/zinc/77/58/80/520775880.db2.gz KCHQAEKSPRFXLH-GDBMZVCRSA-N 1 0 277.412 2.233 10 0 CEAERO CCC[C@@H]1CN(CCn2ccnc2C)[C@@](C)(C2CC2)C[NH2+]1 ZINC000068702530 520837546 /nfs/dbraw/zinc/83/75/46/520837546.db2.gz ISWJEUUQADGZAJ-IAGOWNOFSA-N 1 0 290.455 2.434 10 0 CEAERO CCC[C@@]1(C(=O)NCc2ccc(F)c(F)c2)CC[NH2+]C1 ZINC000062901893 520942933 /nfs/dbraw/zinc/94/29/33/520942933.db2.gz SOSAMEHANDQMFV-OAHLLOKOSA-N 1 0 282.334 2.361 10 0 CEAERO CCN(CC1CC1)C(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000069238250 520951575 /nfs/dbraw/zinc/95/15/75/520951575.db2.gz IMVMFQLOMILHMW-MELADBBJSA-N 1 0 250.386 2.166 10 0 CEAERO CC1CCC(NC(=O)[C@H]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000055146054 520951647 /nfs/dbraw/zinc/95/16/47/520951647.db2.gz ZOXZYCCTOPGULB-DKNRTOFZSA-N 1 0 252.402 2.446 10 0 CEAERO CC[N@H+](CCC[C@](C)(NC1CC1)C(=O)OC)CC1CC1 ZINC000069239627 521041924 /nfs/dbraw/zinc/04/19/24/521041924.db2.gz FOTWTYSWPSFUNM-INIZCTEOSA-N 1 0 282.428 2.182 10 0 CEAERO CCOC(=O)[C@@H](CC[N@@H+]1CCCC[C@@H]1C)NC(C)C ZINC000062440315 521057260 /nfs/dbraw/zinc/05/72/60/521057260.db2.gz LZPZLGCWDTYYFW-UONOGXRCSA-N 1 0 270.417 2.181 10 0 CEAERO CCOC(=O)[C@@H](CC[NH+]1CCCCCC1)NC(C)C ZINC000062441162 521057592 /nfs/dbraw/zinc/05/75/92/521057592.db2.gz BGJFOXLQFOPCRY-CQSZACIVSA-N 1 0 270.417 2.182 10 0 CEAERO CCN(CC[NH2+]CCCOC)c1ccccc1F ZINC000053426015 521079369 /nfs/dbraw/zinc/07/93/69/521079369.db2.gz HXNJZFCVFRUUKS-UHFFFAOYSA-N 1 0 254.349 2.278 10 0 CEAERO CCOC(=O)[C@@](N)(C[NH+]1CCC(C(C)(C)C)CC1)C1CC1 ZINC000069231569 521171067 /nfs/dbraw/zinc/17/10/67/521171067.db2.gz ZRINCTJIYLNNIO-QGZVFWFLSA-N 1 0 296.455 2.415 10 0 CEAERO CCC[C@H](c1cccs1)n1nnnc1C[NH2+]CC ZINC000054747142 521196582 /nfs/dbraw/zinc/19/65/82/521196582.db2.gz BIVQKWWRXNHQQD-SNVBAGLBSA-N 1 0 265.386 2.234 10 0 CEAERO CCC(=O)Nc1ccc(Cl)c(NC(=O)[C@@H](C)C[NH3+])c1 ZINC000054338476 521205502 /nfs/dbraw/zinc/20/55/02/521205502.db2.gz XOAGTZNIGXAGSP-QMMMGPOBSA-N 1 0 283.759 2.222 10 0 CEAERO CCC[C@H]1CN(CCOCCOC)C2(CCCC2)C[NH2+]1 ZINC000068702288 521221611 /nfs/dbraw/zinc/22/16/11/521221611.db2.gz PZZKVHLHAFFZGS-HNNXBMFYSA-N 1 0 284.444 2.036 10 0 CEAERO CCC[C@H]1CN(CCn2ccnc2C)[C@@H](CCC)C[NH2+]1 ZINC000068700452 521222250 /nfs/dbraw/zinc/22/22/50/521222250.db2.gz OVUKYHMGBZAEDR-HOTGVXAUSA-N 1 0 278.444 2.434 10 0 CEAERO CCOC(=O)[C@H](c1ccc(F)c(C)c1)N1CCC[NH2+]CC1 ZINC000050559163 521274739 /nfs/dbraw/zinc/27/47/39/521274739.db2.gz WNUKFOSZWHJBJU-HNNXBMFYSA-N 1 0 294.370 2.034 10 0 CEAERO CCC(C)(C)[N@H+](C)Cc1nc2c(cnn2C)c(NC)n1 ZINC000069447120 521305979 /nfs/dbraw/zinc/30/59/79/521305979.db2.gz NEJVSPFSSTWKSP-UHFFFAOYSA-N 1 0 276.388 2.025 10 0 CEAERO CCOC(=O)[C@](C)(N)C[C@H](C)[NH+]1Cc2ccccc2C1 ZINC000068641930 521330744 /nfs/dbraw/zinc/33/07/44/521330744.db2.gz UXFMABWWWAMFSQ-BLLLJJGKSA-N 1 0 276.380 2.061 10 0 CEAERO CCOC(=O)[C@](C[N@@H+]1CCC[C@@H]1CC)(NC1CC1)C1CC1 ZINC000069088276 521340606 /nfs/dbraw/zinc/34/06/06/521340606.db2.gz FFBIIFSPIDHEHU-DOTOQJQBSA-N 1 0 294.439 2.325 10 0 CEAERO CCOC(=O)[C@](N)(C[N@@H+]1CCC[C@@H]1C1CCCC1)C1CC1 ZINC000069132004 521346433 /nfs/dbraw/zinc/34/64/33/521346433.db2.gz BQTKBVLUKHQRRL-WBVHZDCISA-N 1 0 294.439 2.312 10 0 CEAERO CCN(Cc1cccc(F)c1)C(=O)[C@@H](C)C1C[NH2+]C1 ZINC000164165858 521346948 /nfs/dbraw/zinc/34/69/48/521346948.db2.gz RDZQCOIZXYOPSY-NSHDSACASA-N 1 0 264.344 2.030 10 0 CEAERO CCC(C)(C)OCCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052630558 521359187 /nfs/dbraw/zinc/35/91/87/521359187.db2.gz LZHKPKUXTWWNPB-UHFFFAOYSA-N 1 0 268.405 2.371 10 0 CEAERO CCCc1ccc([C@](C)(CO)[NH2+]CCOC)cc1 ZINC000053292661 521418105 /nfs/dbraw/zinc/41/81/05/521418105.db2.gz UXRDGAIOIXXTGM-HNNXBMFYSA-N 1 0 251.370 2.083 10 0 CEAERO CCC(CC)(CCS(C)(=O)=O)C[NH2+]CC(C)C ZINC000054658920 521422367 /nfs/dbraw/zinc/42/23/67/521422367.db2.gz UXCWNHFHVJQVMG-UHFFFAOYSA-N 1 0 263.447 2.473 10 0 CEAERO CCN(c1cc(C(N)=[NH2+])c2ccccc2n1)[C@@H](C)COC ZINC000068797967 521479130 /nfs/dbraw/zinc/47/91/30/521479130.db2.gz PTWXNHHEIRHXCK-NSHDSACASA-N 1 0 286.379 2.380 10 0 CEAERO CCCc1[nH+]c2cc(N)ccc2n1CC(=O)OCC ZINC000052853019 521541533 /nfs/dbraw/zinc/54/15/33/521541533.db2.gz IDDVTKAUBYNCEH-UHFFFAOYSA-N 1 0 261.325 2.134 10 0 CEAERO CCOC(=O)c1cccnc1N[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000063214665 521560391 /nfs/dbraw/zinc/56/03/91/521560391.db2.gz BUQKEGSWHQZYQU-QWHCGFSZSA-N 1 0 277.368 2.330 10 0 CEAERO CC[NH+]1CCC(O)(c2ccc3c(c2)OCCCO3)CC1 ZINC000055192476 521583065 /nfs/dbraw/zinc/58/30/65/521583065.db2.gz OEKRFQWQGUQODX-UHFFFAOYSA-N 1 0 277.364 2.151 10 0 CEAERO CCCN(CC(F)(F)F)c1ccc(C[NH2+]CC)nn1 ZINC000051480003 521587343 /nfs/dbraw/zinc/58/73/43/521587343.db2.gz VNHKFVSDNHHGTH-UHFFFAOYSA-N 1 0 276.306 2.365 10 0 CEAERO CCCn1c(Sc2ccc(F)cc2[C@H](C)[NH3+])n[nH]c1=O ZINC000061595905 521635939 /nfs/dbraw/zinc/63/59/39/521635939.db2.gz LEZRMXIIVMCVJW-QMMMGPOBSA-N 1 0 296.371 2.291 10 0 CEAERO CCC(CC)n1cc(CCC[NH2+]CCOC)cn1 ZINC000054680683 521638505 /nfs/dbraw/zinc/63/85/05/521638505.db2.gz VKINAUVAVWVDOF-UHFFFAOYSA-N 1 0 253.390 2.413 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCc3ccccc3C2)C1 ZINC000052594571 521644751 /nfs/dbraw/zinc/64/47/51/521644751.db2.gz UWSNKFGTTDQFBL-INIZCTEOSA-N 1 0 287.407 2.239 10 0 CEAERO CCS(=O)(=O)CC[C@H](C[NH2+]C1CC1)Cc1ccccc1 ZINC000052953179 521645518 /nfs/dbraw/zinc/64/55/18/521645518.db2.gz PBUBAEWXGNUJRT-HNNXBMFYSA-N 1 0 295.448 2.422 10 0 CEAERO CC[N@@H+]1CCC[C@H](Nc2c(F)cc(N)cc2F)C1 ZINC000049193325 521649474 /nfs/dbraw/zinc/64/94/74/521649474.db2.gz GMUCGFNDMXGRES-JTQLQIEISA-N 1 0 255.312 2.443 10 0 CEAERO CC[N@@H+]1CCC[C@H](Nc2cc3c(cc2N)NC(=O)CC3)C1 ZINC000049193210 521649823 /nfs/dbraw/zinc/64/98/23/521649823.db2.gz VBLHQMUVIWVLDJ-LBPRGKRZSA-N 1 0 288.395 2.050 10 0 CEAERO CCOC1CCN(c2nc(CC)c(C[NH3+])s2)CC1 ZINC000054998371 521658207 /nfs/dbraw/zinc/65/82/07/521658207.db2.gz ROHGGADDQJSWBW-UHFFFAOYSA-N 1 0 269.414 2.170 10 0 CEAERO CCCn1ccnc1[C@H]([NH3+])Cc1nc(C)cs1 ZINC000069498533 521663662 /nfs/dbraw/zinc/66/36/62/521663662.db2.gz NVYMPAYKYBCHQS-SNVBAGLBSA-N 1 0 250.371 2.301 10 0 CEAERO CCC1(C(=O)NCc2ccccc2F)CC[NH2+]CC1 ZINC000062847773 521668850 /nfs/dbraw/zinc/66/88/50/521668850.db2.gz LJUSZGMNROEZSL-UHFFFAOYSA-N 1 0 264.344 2.222 10 0 CEAERO CCC1(C(=O)N[C@@H]2CCCC[C@H]2C)CC[NH2+]CC1 ZINC000062847761 521669281 /nfs/dbraw/zinc/66/92/81/521669281.db2.gz CYKRBVUZLNYTHA-CHWSQXEVSA-N 1 0 252.402 2.461 10 0 CEAERO CCC[N@H+](C[C@@](NC(C)C)(C(=O)OC)C1CC1)C(C)C ZINC000069097775 521676247 /nfs/dbraw/zinc/67/62/47/521676247.db2.gz UVOIGQVIOVSGKH-INIZCTEOSA-N 1 0 284.444 2.427 10 0 CEAERO COCC[C@@H]([NH3+])C(=O)Nc1cccc(Cl)c1Cl ZINC000052791182 521828971 /nfs/dbraw/zinc/82/89/71/521828971.db2.gz ICXYMQXUEFMNLF-MRVPVSSYSA-N 1 0 277.151 2.296 10 0 CEAERO C[NH+](C)C[C@@H]1CCCN1c1ccc(N)c(OC(C)(C)C)n1 ZINC000061642911 521843194 /nfs/dbraw/zinc/84/31/94/521843194.db2.gz KLZCAXPPWTWMQI-LBPRGKRZSA-N 1 0 292.427 2.372 10 0 CEAERO CN(C)C[C@@H]1CCC[N@@H+]1[C@@H]1CCCCCC[C@@H]1O 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521951601 /nfs/dbraw/zinc/95/16/01/521951601.db2.gz XPAJQZLZKIPAMA-JTQLQIEISA-N 1 0 276.149 2.495 10 0 CEAERO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2c1ccc(N(C)C)cc1 ZINC000054628242 521956963 /nfs/dbraw/zinc/95/69/63/521956963.db2.gz FLHZWEYMXKXYSH-SFESLNEESA-N 1 0 259.397 2.472 10 0 CEAERO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(OC)c(OC)c1 ZINC000054628152 521957354 /nfs/dbraw/zinc/95/73/54/521957354.db2.gz FWLLZIQTFDNSSR-GOOCMWNKSA-N 1 0 290.407 2.419 10 0 CEAERO C[NH2+]CC1(CN2CCc3sccc3C2)CCOCC1 ZINC000052180874 521971460 /nfs/dbraw/zinc/97/14/60/521971460.db2.gz NDDLWYJXGMIFAK-UHFFFAOYSA-N 1 0 280.437 2.122 10 0 CEAERO COCCc1ccc(OCc2csc(C[NH3+])n2)cc1 ZINC000052699407 522012756 /nfs/dbraw/zinc/01/27/56/522012756.db2.gz HXAGRNPZZCSKTB-UHFFFAOYSA-N 1 0 278.377 2.370 10 0 CEAERO C[NH2+]CC[C@H]1CCCCN1C(=O)c1ccc(OC)cc1 ZINC000070191091 522018125 /nfs/dbraw/zinc/01/81/25/522018125.db2.gz FCYVQXZGEJJXIZ-CQSZACIVSA-N 1 0 276.380 2.299 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000062969311 522053708 /nfs/dbraw/zinc/05/37/08/522053708.db2.gz FXVSCBKVTNRFIZ-SECBINFHSA-N 1 0 288.178 2.165 10 0 CEAERO C[NH2+]C[C@@]1(CCCS(C)(=O)=O)CCCc2ccccc21 ZINC000063018496 522063670 /nfs/dbraw/zinc/06/36/70/522063670.db2.gz VCGKZCGEERUJCZ-INIZCTEOSA-N 1 0 295.448 2.305 10 0 CEAERO C[NH2+]C[C@H](C(C)C)N(C)Cc1ccccc1OC ZINC000052542186 522064539 /nfs/dbraw/zinc/06/45/39/522064539.db2.gz IRNNGPWOXUWIEU-CQSZACIVSA-N 1 0 250.386 2.371 10 0 CEAERO CC[C@H](C)n1ccc(C[C@@]2(C[NH2+]C)CCOC2)n1 ZINC000070325590 522070325 /nfs/dbraw/zinc/07/03/25/522070325.db2.gz AITYNXGUEUHIMB-GXTWGEPZSA-N 1 0 251.374 2.023 10 0 CEAERO C[NH2+]C[C@H](C)c1c(C)nc(Cc2ccccn2)nc1C ZINC000054854654 522072514 /nfs/dbraw/zinc/07/25/14/522072514.db2.gz ROJKDSPDRZDQTQ-NSHDSACASA-N 1 0 270.380 2.402 10 0 CEAERO C[NH2+]Cc1cc(F)c(-n2cnc(C)c2C)c(F)c1 ZINC000062719840 522111893 /nfs/dbraw/zinc/11/18/93/522111893.db2.gz AQKTUSAXGMJXAD-UHFFFAOYSA-N 1 0 251.280 2.487 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(C(=O)Nc2cccc(N)c2)CC1 ZINC000055083780 522113358 /nfs/dbraw/zinc/11/33/58/522113358.db2.gz SILROEYSNUQAFA-GFCCVEGCSA-N 1 0 276.384 2.217 10 0 CEAERO C[NH2+]Cc1cc2ccccc2c(OCCCOC)n1 ZINC000051522356 522114623 /nfs/dbraw/zinc/11/46/23/522114623.db2.gz CKKQVRIIXSXIHW-UHFFFAOYSA-N 1 0 260.337 2.370 10 0 CEAERO C[NH2+]Cc1cccc(OCCN2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000052540244 522133107 /nfs/dbraw/zinc/13/31/07/522133107.db2.gz KCFHTHUBUPQJIX-DLBZAZTESA-N 1 0 290.407 2.038 10 0 CEAERO C[NH2+]Cc1cn(CCOc2c(C)cc(Cl)cc2C)nn1 ZINC000052651411 522147252 /nfs/dbraw/zinc/14/72/52/522147252.db2.gz JBGLPNZVBKXKKO-UHFFFAOYSA-N 1 0 294.786 2.347 10 0 CEAERO C[NH2+]Cc1cnc(OC[C@H]2CCCO2)c(Cl)c1 ZINC000051526463 522149416 /nfs/dbraw/zinc/14/94/16/522149416.db2.gz ASKRKOUKAWEGNT-SNVBAGLBSA-N 1 0 256.733 2.012 10 0 CEAERO C[NH2+]Cc1nnc(-c2ccc(Br)cc2F)o1 ZINC000050615358 522154706 /nfs/dbraw/zinc/15/47/06/522154706.db2.gz JDWLEGSMZUZYFX-UHFFFAOYSA-N 1 0 286.104 2.358 10 0 CEAERO C[NH2+]Cc1occc1CN(C)Cc1csc(C)n1 ZINC000052505820 522164837 /nfs/dbraw/zinc/16/48/37/522164837.db2.gz DVJMSXCGQHRRIX-UHFFFAOYSA-N 1 0 265.382 2.396 10 0 CEAERO C[NH2+]Cc1sc(N2CCCSCC2)nc1C ZINC000055002181 522167914 /nfs/dbraw/zinc/16/79/14/522167914.db2.gz PDYFYUOUDUAZGG-UHFFFAOYSA-N 1 0 257.428 2.114 10 0 CEAERO COC[C@@H](C)N(C)[C@@H](C[NH3+])c1cccc2cccnc21 ZINC000069502643 522219204 /nfs/dbraw/zinc/21/92/04/522219204.db2.gz JSJWJYGEALNUSD-DOMZBBRYSA-N 1 0 273.380 2.201 10 0 CEAERO COC[C@@H](C)N(C)Cc1cc(C[NH2+]C(C)(C)C)no1 ZINC000052511607 522221061 /nfs/dbraw/zinc/22/10/61/522221061.db2.gz PXABGGPDNKOISM-LLVKDONJSA-N 1 0 269.389 2.029 10 0 CEAERO COC(=O)c1cccc(NC(=O)CC[C@@H]2CCCC[NH2+]2)c1 ZINC000050950621 522222091 /nfs/dbraw/zinc/22/20/91/522222091.db2.gz MYDMIDRHPIZUGK-ZDUSSCGKSA-N 1 0 290.363 2.334 10 0 CEAERO CN(C)c1ccc(NC(=O)CC[C@H]2CCCC[NH2+]2)cn1 ZINC000050944138 522223443 /nfs/dbraw/zinc/22/34/43/522223443.db2.gz KNKFXUCMBZSKAT-GFCCVEGCSA-N 1 0 276.384 2.008 10 0 CEAERO C[NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000054074271 522321614 /nfs/dbraw/zinc/32/16/14/522321614.db2.gz BWDXDHOEQYPYLI-IUCAKERBSA-N 1 0 274.286 2.491 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(NC(=O)NCCSC)cc1 ZINC000069462998 522333477 /nfs/dbraw/zinc/33/34/77/522333477.db2.gz AESHNRPBIYGBDI-JTQLQIEISA-N 1 0 267.398 2.452 10 0 CEAERO CC[C@H]([NH3+])Cc1ccnc(-c2ccc(OC)cc2)n1 ZINC000054834928 522334662 /nfs/dbraw/zinc/33/46/62/522334662.db2.gz PSVZNVFSOOMVFS-LBPRGKRZSA-N 1 0 257.337 2.432 10 0 CEAERO CC[C@H]([NH3+])Cc1cnc(-c2ccccc2OC)nc1 ZINC000054858262 522335287 /nfs/dbraw/zinc/33/52/87/522335287.db2.gz KQGSJWDDQQXSLN-LBPRGKRZSA-N 1 0 257.337 2.432 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C)c1sccc1C ZINC000061592655 522338577 /nfs/dbraw/zinc/33/85/77/522338577.db2.gz YNQAEYLCFDTLAF-WCBMZHEXSA-N 1 0 298.437 2.049 10 0 CEAERO CC[C@H]([NH3+])[C@H](N(CCO)Cc1ccccc1)C(F)(F)F ZINC000050514138 522342839 /nfs/dbraw/zinc/34/28/39/522342839.db2.gz YUUWDFPNESAHNR-STQMWFEESA-N 1 0 290.329 2.149 10 0 CEAERO CC[C@H]([NH3+])c1ccccc1OC[C@H](O)COC(C)C ZINC000070099275 522349585 /nfs/dbraw/zinc/34/95/85/522349585.db2.gz XPVNSONQXKUFIC-OCCSQVGLSA-N 1 0 267.369 2.261 10 0 CEAERO C[NH2+][C@@H](Cn1nc(C)ccc1=O)c1ccc(C)c(C)c1 ZINC000061810260 522364773 /nfs/dbraw/zinc/36/47/73/522364773.db2.gz UMICHVKUJVDNBO-HNNXBMFYSA-N 1 0 271.364 2.129 10 0 CEAERO C[NH2+][C@@H](c1ccc2c(c1)CCC(=O)N2C)[C@H]1CCCO1 ZINC000062806587 522369497 /nfs/dbraw/zinc/36/94/97/522369497.db2.gz PWASLMXQXZHRLR-ZBFHGGJFSA-N 1 0 274.364 2.035 10 0 CEAERO C[NH2+][C@@H](c1cnn(C)c1)c1nccc2ccccc21 ZINC000069314835 522374829 /nfs/dbraw/zinc/37/48/29/522374829.db2.gz VUWAJJBBWFXWPV-AWEZNQCLSA-N 1 0 252.321 2.277 10 0 CEAERO C[NH2+][C@@H]1CCCCC[C@H]1S(=O)(=O)c1ccccc1 ZINC000061702752 522377248 /nfs/dbraw/zinc/37/72/48/522377248.db2.gz HMPZYOYAJSINGA-ZIAGYGMSSA-N 1 0 267.394 2.381 10 0 CEAERO CCc1nc(N2CCOC[C@@H]2C)sc1C[NH2+]C(C)C ZINC000054997354 522388026 /nfs/dbraw/zinc/38/80/26/522388026.db2.gz UBHJHTMAENJWTB-NSHDSACASA-N 1 0 283.441 2.429 10 0 CEAERO C[NH2+][C@@H]1CCOC[C@@H]1n1cc(-c2ccccc2)cn1 ZINC000054961136 522396194 /nfs/dbraw/zinc/39/61/94/522396194.db2.gz MQLXJRYQYJPOHN-CABCVRRESA-N 1 0 257.337 2.100 10 0 CEAERO C[NH2+][C@H](C)CCCCS(=O)(=O)c1ccccc1 ZINC000061702723 522439368 /nfs/dbraw/zinc/43/93/68/522439368.db2.gz RVWVWCPMVNQGCK-GFCCVEGCSA-N 1 0 255.383 2.239 10 0 CEAERO C[NH2+][C@H](C)c1ccc(F)cc1O[C@H](C)C(=O)N1CCCC1 ZINC000062746469 522446865 /nfs/dbraw/zinc/44/68/65/522446865.db2.gz POUBMJWCMNWKRL-VXGBXAGGSA-N 1 0 294.370 2.496 10 0 CEAERO C[NH2+][C@H](Cn1ncccc1=O)c1ccc(C(C)C)cc1 ZINC000061402337 522476874 /nfs/dbraw/zinc/47/68/74/522476874.db2.gz OHXFRVXHKMCSOX-OAHLLOKOSA-N 1 0 271.364 2.327 10 0 CEAERO CC[C@@H](CC(=O)[O-])[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000062753251 522483704 /nfs/dbraw/zinc/48/37/04/522483704.db2.gz IXWZRTIVFNJVNB-ZDUSSCGKSA-N 1 0 268.401 2.190 10 0 CEAERO C[NH2+][C@H](c1ccc2c(c1)n(C)c(=O)n2C)[C@H](C)C(C)C ZINC000070123887 522484813 /nfs/dbraw/zinc/48/48/13/522484813.db2.gz SBUFBHCARAFRHX-ABAIWWIYSA-N 1 0 275.396 2.430 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000062995972 522529374 /nfs/dbraw/zinc/52/93/74/522529374.db2.gz RIVDFTJEWWMZAM-LBPRGKRZSA-N 1 0 261.369 2.210 10 0 CEAERO C[NH2+][C@](COc1cccc(C(C)C)c1)(C(N)=O)C1CC1 ZINC000069197039 522530729 /nfs/dbraw/zinc/53/07/29/522530729.db2.gz OBLNSGWQLWLBOL-INIZCTEOSA-N 1 0 276.380 2.042 10 0 CEAERO COc1cc(F)c(C(=O)C2CC[NH2+]CC2)cc1OC ZINC000061560228 522561773 /nfs/dbraw/zinc/56/17/73/522561773.db2.gz OVBWVEJETZLPGY-UHFFFAOYSA-N 1 0 267.300 2.025 10 0 CEAERO CCc1nccn1C[C@H]1CC[C@H](C[NH2+]CC(C)C)O1 ZINC000052593194 522585700 /nfs/dbraw/zinc/58/57/00/522585700.db2.gz VFVPOTQAQGWSKI-ZIAGYGMSSA-N 1 0 265.401 2.239 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccnc(COc2ccccc2)n1 ZINC000054834529 522644884 /nfs/dbraw/zinc/64/48/84/522644884.db2.gz XAJXFEHKJUPZIM-GFCCVEGCSA-N 1 0 257.337 2.335 10 0 CEAERO CC[C@@H]([NH3+])Cc1cccc(OCc2ncccn2)c1 ZINC000054461810 522645133 /nfs/dbraw/zinc/64/51/33/522645133.db2.gz CCDRBNCKHHEXOQ-CYBMUJFWSA-N 1 0 257.337 2.335 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1nnc(C)o1)c1cccnc1 ZINC000051038051 522649135 /nfs/dbraw/zinc/64/91/35/522649135.db2.gz IADHBYCZMUDKTJ-MNOVXSKESA-N 1 0 264.354 2.344 10 0 CEAERO CC[C@@H]([NH3+])[C@@](O)(c1cc(F)cc(F)c1)C(F)(F)F ZINC000062784282 522651663 /nfs/dbraw/zinc/65/16/63/522651663.db2.gz NLQKNQMFJFFHKH-ZJUUUORDSA-N 1 0 269.213 2.452 10 0 CEAERO CC[C@@H](NC(=O)C(C)(C)[NH2+]C)c1ccccc1OC ZINC000061300856 522667757 /nfs/dbraw/zinc/66/77/57/522667757.db2.gz PCERHYLATBJCJC-GFCCVEGCSA-N 1 0 264.369 2.261 10 0 CEAERO CC[C@H]([NH2+][C@H]1CC(=O)N(C(C)C)C1=O)c1cccs1 ZINC000049529731 522751197 /nfs/dbraw/zinc/75/11/97/522751197.db2.gz NTOIEABYBTUJMV-QWRGUYRKSA-N 1 0 280.393 2.325 10 0 CEAERO CC[C@@H]([NH2+]C)[C@@H](C)Oc1cc(OC)cc(OC)c1 ZINC000068967413 522805538 /nfs/dbraw/zinc/80/55/38/522805538.db2.gz OBCDZWZLPOXIPB-QMTHXVAHSA-N 1 0 253.342 2.469 10 0 CEAERO COC[C@H](O)COc1ccc(C)cc1C[NH2+]CC(C)C 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CEAERO CC[C@@H]1CO[C@H](C)CN1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000048916719 523511748 /nfs/dbraw/zinc/51/17/48/523511748.db2.gz SFWYYWCYZREDPY-BXUZGUMPSA-N 1 0 277.368 2.177 10 0 CEAERO CC[C@@H]1CO[C@H](C)CN1[C@@H](C[NH2+]C)c1ccccc1 ZINC000052571251 523517103 /nfs/dbraw/zinc/51/71/03/523517103.db2.gz RJAOAYGZLIAXQQ-BMFZPTHFSA-N 1 0 262.397 2.446 10 0 CEAERO COCCN(C(=O)CCC1CC[NH2+]CC1)[C@H](C)C1CC1 ZINC000050947118 523532039 /nfs/dbraw/zinc/53/20/39/523532039.db2.gz DFZXLKHNJPNZEI-CYBMUJFWSA-N 1 0 282.428 2.040 10 0 CEAERO CC[C@]1(C(=O)N(C)CC2CCCCC2)CC[NH2+]C1 ZINC000062895955 523532665 /nfs/dbraw/zinc/53/26/65/523532665.db2.gz MYCYFXGOGXIFKR-HNNXBMFYSA-N 1 0 252.402 2.415 10 0 CEAERO CC[C@]1(C(=O)N(Cc2ccc(C)o2)C2CC2)CC[NH2+]C1 ZINC000062895691 523534709 /nfs/dbraw/zinc/53/47/09/523534709.db2.gz MCYIEPXPRVTHDX-INIZCTEOSA-N 1 0 276.380 2.469 10 0 CEAERO COCCN(C)CC[NH2+][C@@H]1CCCOc2c(C)cccc21 ZINC000061377249 523611211 /nfs/dbraw/zinc/61/12/11/523611211.db2.gz NTLOCHXDIGBUGP-MRXNPFEDSA-N 1 0 292.423 2.377 10 0 CEAERO CC[C@]1(c2nc(Cc3ccc(F)cc3)no2)CC[NH2+]C1 ZINC000062917067 523630380 /nfs/dbraw/zinc/63/03/80/523630380.db2.gz GIGDUARADBEXRA-HNNXBMFYSA-N 1 0 275.327 2.441 10 0 CEAERO CN(c1cc(Cl)ccc1C(N)=O)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000062785791 523631167 /nfs/dbraw/zinc/63/11/67/523631167.db2.gz FKAWTVTYBAXVNS-FOSCPWQOSA-N 1 0 293.798 2.158 10 0 CEAERO CC[C@@](C)(C[NH2+]C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000054661554 523639009 /nfs/dbraw/zinc/63/90/09/523639009.db2.gz PKIVYAOZYDFHPC-YPMHNXCESA-N 1 0 261.431 2.226 10 0 CEAERO CC[C@@]1(C(=O)N[C@@H]2CCOc3ccccc32)CCC[NH2+]C1 ZINC000062855515 523695609 /nfs/dbraw/zinc/69/56/09/523695609.db2.gz NXNJSGJVHADWHL-RHSMWYFYSA-N 1 0 288.391 2.406 10 0 CEAERO COCCN(CCOC)Cc1ccoc1C[NH2+]CC(C)C ZINC000052571515 523719375 /nfs/dbraw/zinc/71/93/75/523719375.db2.gz VDRZKZWUHWBZAC-UHFFFAOYSA-N 1 0 298.427 2.120 10 0 CEAERO CCn1nccc1[C@@H]([NH3+])c1ccc2ncccc2c1 ZINC000069472684 523744361 /nfs/dbraw/zinc/74/43/61/523744361.db2.gz 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2.225 10 0 CEAERO CC[C@H](C)[NH+]1CCN([C@@H]2CNc3ccccc3C2)CC1 ZINC000055067316 523957844 /nfs/dbraw/zinc/95/78/44/523957844.db2.gz XTQVVGRXUMDJHC-HOCLYGCPSA-N 1 0 273.424 2.439 10 0 CEAERO COCC[NH2+]Cc1sc(N2CC[C@@H](C)C2)nc1C ZINC000054998432 523958338 /nfs/dbraw/zinc/95/83/38/523958338.db2.gz VHPHPPYJKFCALX-SNVBAGLBSA-N 1 0 269.414 2.034 10 0 CEAERO COCC[NH2+][C@](C)(CO)c1ccccc1C(F)(F)F ZINC000053292505 523961761 /nfs/dbraw/zinc/96/17/61/523961761.db2.gz LJAWMJIGTDBRLT-GFCCVEGCSA-N 1 0 277.286 2.149 10 0 CEAERO CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)Cc1ccco1 ZINC000062771888 523968814 /nfs/dbraw/zinc/96/88/14/523968814.db2.gz YAOWNOKTWZSDHW-RYUDHWBXSA-N 1 0 252.358 2.105 10 0 CEAERO COC(=O)[C@](C)(CC[N@@H+]1CCCC(C)(C)C1)NC1CC1 ZINC000069516755 523998909 /nfs/dbraw/zinc/99/89/09/523998909.db2.gz ZWEKOMWBSPWSLF-INIZCTEOSA-N 1 0 282.428 2.182 10 0 CEAERO COC(=O)[C@](C[N@@H+]1CCC[C@@H](C)CC1)(NC(C)C)C1CC1 ZINC000069233213 524004981 /nfs/dbraw/zinc/00/49/81/524004981.db2.gz DCBWUTFPQVRMGW-RHSMWYFYSA-N 1 0 296.455 2.428 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](c2nc(C(C)(C)c3ccccc3)no2)C1 ZINC000062772685 524009013 /nfs/dbraw/zinc/00/90/13/524009013.db2.gz YDFQMEYHPLDORU-CHWSQXEVSA-N 1 0 287.363 2.445 10 0 CEAERO COCCO[C@@H](C[NH2+]C(C)C)c1cccc(OC)c1 ZINC000050496010 524029004 /nfs/dbraw/zinc/02/90/04/524029004.db2.gz UIGRZGKOEXZIMI-HNNXBMFYSA-N 1 0 267.369 2.397 10 0 CEAERO CNC(=O)CCC[NH2+][C@@H](c1ccccc1)c1ccncc1 ZINC000068817694 524065085 /nfs/dbraw/zinc/06/50/85/524065085.db2.gz DAPDJEBVDNSENH-KRWDZBQOSA-N 1 0 283.375 2.287 10 0 CEAERO Cc1ccc2sc(CN3CCC[NH2+]CC3)nc2c1 ZINC000061145577 524100089 /nfs/dbraw/zinc/10/00/89/524100089.db2.gz ULTZEMYVWXZVLR-UHFFFAOYSA-N 1 0 261.394 2.400 10 0 CEAERO C[C@H]1CCC[C@@H](C[NH3+])N1Cc1nc(-c2ccsc2)no1 ZINC000070154498 524134054 /nfs/dbraw/zinc/13/40/54/524134054.db2.gz BLBNPCAFUMBQDX-JQWIXIFHSA-N 1 0 292.408 2.500 10 0 CEAERO C[C@H](CC[NH+](C)C)NC(=O)Nc1cccc([C@H](C)O)c1 ZINC000049562068 524160712 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COc1ccccc1C(=O)N1[C@H](C)CCC[C@H]1C[NH3+] ZINC000070151973 524345428 /nfs/dbraw/zinc/34/54/28/524345428.db2.gz UMRVPLFJDPEYFB-NEPJUHHUSA-N 1 0 262.353 2.037 10 0 CEAERO C[C@H]1CC[C@@H](NS(=O)(=O)c2cccc(C[NH3+])c2)C[C@@H]1C ZINC000068583089 524370221 /nfs/dbraw/zinc/37/02/21/524370221.db2.gz CYXIUZLDCGHYJF-SGMGOOAPSA-N 1 0 296.436 2.248 10 0 CEAERO Cc1ccc(C[N@@H+](C)CC2(CO)CCOCC2)cc1 ZINC000052199243 524391204 /nfs/dbraw/zinc/39/12/04/524391204.db2.gz WLQLDGFXXNHKMU-UHFFFAOYSA-N 1 0 263.381 2.216 10 0 CEAERO C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])C[C@@H]1C ZINC000068598665 524420809 /nfs/dbraw/zinc/42/08/09/524420809.db2.gz WPXPZINNBAYCBJ-YHQUGGNUSA-N 1 0 252.402 2.445 10 0 CEAERO COc1ccc(N2CC[C@H](C[NH2+]CC(C)C)C2)cn1 ZINC000053012210 524440819 /nfs/dbraw/zinc/44/08/19/524440819.db2.gz YTCJVZJBRMKAHM-CYBMUJFWSA-N 1 0 263.385 2.162 10 0 CEAERO C[C@@H](CC[NH+](C)C)NCC(=O)Nc1ccccc1Cl ZINC000049557737 524475426 /nfs/dbraw/zinc/47/54/26/524475426.db2.gz FPWMFIGWDUWJLM-NSHDSACASA-N 1 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/nfs/dbraw/zinc/65/89/66/524658966.db2.gz WJOZTILPFQOEDF-TYNCELHUSA-N 1 0 296.436 2.248 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C)N1C(=O)[C@@H]1CCCc2ccccc21 ZINC000069132746 524696111 /nfs/dbraw/zinc/69/61/11/524696111.db2.gz IOLLWHSGXFRYGO-HEHGZKQESA-N 1 0 272.392 2.315 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C)N1Cc1ccccc1OC(F)F ZINC000069134734 524699510 /nfs/dbraw/zinc/69/95/10/524699510.db2.gz CZZSYKCVPMDDCZ-QWRGUYRKSA-N 1 0 270.323 2.470 10 0 CEAERO C[C@H]1COCCN1Cc1c(C[NH3+])oc2ccccc21 ZINC000052475844 524721678 /nfs/dbraw/zinc/72/16/78/524721678.db2.gz KNQSUFCYVVVIEA-NSHDSACASA-N 1 0 260.337 2.112 10 0 CEAERO C[C@@H](C[NH2+]C(C)(C)C)N1CCN(c2nccs2)CC1 ZINC000052417618 524733693 /nfs/dbraw/zinc/73/36/93/524733693.db2.gz SRENBPURABCMSQ-LBPRGKRZSA-N 1 0 282.457 2.042 10 0 CEAERO Cc1cccc(OCCCN2C[C@H](C)[NH2+]C[C@@H]2C)c1 ZINC000062660308 524733708 /nfs/dbraw/zinc/73/37/08/524733708.db2.gz PYFRGOIXBMCDRL-GJZGRUSLSA-N 1 0 262.397 2.446 10 0 CEAERO Cc1cc(C[NH2+]C(C)(C)C)ccc1-n1cc(C(N)=O)cn1 ZINC000070329174 524750024 /nfs/dbraw/zinc/75/00/24/524750024.db2.gz GSOCOVWCLJLGBP-UHFFFAOYSA-N 1 0 286.379 2.168 10 0 CEAERO C[C@H](Cc1cccs1)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054306889 524751417 /nfs/dbraw/zinc/75/14/17/524751417.db2.gz ZMSMVISPIYTKEO-NEPJUHHUSA-N 1 0 266.410 2.185 10 0 CEAERO Cc1cc(C[NH2+]CC(C)C)cc(C)c1O[C@@H](C)C(N)=O ZINC000062728571 524753341 /nfs/dbraw/zinc/75/33/41/524753341.db2.gz JEHHYSXTBHSNQM-ZDUSSCGKSA-N 1 0 278.396 2.302 10 0 CEAERO C[C@H]1C[C@@H](C(=O)NCCC2CCCC2)CC[C@@H]1[NH3+] ZINC000055130587 524769314 /nfs/dbraw/zinc/76/93/14/524769314.db2.gz DJWABWKRQBYNHQ-UBHSHLNASA-N 1 0 252.402 2.446 10 0 CEAERO C[C@H](N)[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757280 524838950 /nfs/dbraw/zinc/83/89/50/524838950.db2.gz UZJRXKSJVHIYIG-IMJJTQAJSA-N 1 0 262.397 2.312 10 0 CEAERO Cc1ccc(F)cc1C(=O)NCC[C@@H]1CCCC[NH2+]1 ZINC000062665030 524844529 /nfs/dbraw/zinc/84/45/29/524844529.db2.gz FWAYHQBZHHVFHQ-ZDUSSCGKSA-N 1 0 264.344 2.396 10 0 CEAERO C[C@H]([NH3+])c1ccc(F)cc1O[C@@H](C)C(=O)N1CCCC1 ZINC000062745674 524864355 /nfs/dbraw/zinc/86/43/55/524864355.db2.gz XJANEEVZWONYRL-QWRGUYRKSA-N 1 0 280.343 2.235 10 0 CEAERO Cc1ccc(N(C)Cc2ccnc(C(N)=[NH2+])c2)cc1 ZINC000068761791 524887524 /nfs/dbraw/zinc/88/75/24/524887524.db2.gz KUBPPZNHSGUFCU-UHFFFAOYSA-N 1 0 254.337 2.310 10 0 CEAERO Cc1ccc(N2CCC[C@@H](C[NH2+]C(C)(C)C)C2)nn1 ZINC000053702826 524951868 /nfs/dbraw/zinc/95/18/68/524951868.db2.gz CGSFHHDZPRHGFQ-ZDUSSCGKSA-N 1 0 262.401 2.390 10 0 CEAERO C[C@H]1Cc2ccccc2N([C@@H](C[NH3+])c2ccncn2)C1 ZINC000070096786 524987140 /nfs/dbraw/zinc/98/71/40/524987140.db2.gz ZOXYPZSIFYTKSZ-LRDDRELGSA-N 1 0 268.364 2.175 10 0 CEAERO COc1nc2sccn2c1C[NH2+]CCCSC ZINC000069433706 524990186 /nfs/dbraw/zinc/99/01/86/524990186.db2.gz PPFUVJSZDXSZNA-UHFFFAOYSA-N 1 0 271.411 2.247 10 0 CEAERO C[C@@H]([NH3+])Cc1noc(-c2nccc3ccccc32)n1 ZINC000054161576 525001546 /nfs/dbraw/zinc/00/15/46/525001546.db2.gz IYBMYVYJWKQJCN-SECBINFHSA-N 1 0 254.293 2.175 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1cccc(Cl)c1)N1CCn2ccnc2C1 ZINC000062245711 525015891 /nfs/dbraw/zinc/01/58/91/525015891.db2.gz IRFURRFOALQZLV-IAQYHMDHSA-N 1 0 290.798 2.441 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1cccnc1)n1ncc2ccccc21 ZINC000050524466 525018598 /nfs/dbraw/zinc/01/85/98/525018598.db2.gz NHZMSJOZEKWITR-IAQYHMDHSA-N 1 0 252.321 2.368 10 0 CEAERO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2CCCO)cc1 ZINC000052762129 525049953 /nfs/dbraw/zinc/04/99/53/525049953.db2.gz RXUDOVKFZYSLPV-OAHLLOKOSA-N 1 0 276.380 2.170 10 0 CEAERO C[C@@H]1CN(c2cc(C(N)=[NH2+])c3ccccc3n2)C[C@H](C)O1 ZINC000068797549 525060817 /nfs/dbraw/zinc/06/08/17/525060817.db2.gz RJXRHJQJYFJKMW-PHIMTYICSA-N 1 0 284.363 2.132 10 0 CEAERO C[C@@H]1CN(c2ccc(Cl)cc2C[NH3+])C[C@@H](C)O1 ZINC000052856522 525065460 /nfs/dbraw/zinc/06/54/60/525065460.db2.gz ROWKUURINAWLPT-NXEZZACHSA-N 1 0 254.761 2.412 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C)N1Cc1cc(-c2ccco2)on1 ZINC000069134297 525097363 /nfs/dbraw/zinc/09/73/63/525097363.db2.gz RCEWFQICGXHCBJ-GHMZBOCLSA-N 1 0 261.325 2.117 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C)N1CCOc1ccccc1Cl ZINC000069134555 525097680 /nfs/dbraw/zinc/09/76/80/525097680.db2.gz QFUIILAZPDDTSL-VXGBXAGGSA-N 1 0 268.788 2.401 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H](C)N1C(=O)Cc1cccc(Cl)c1 ZINC000069132639 525100058 /nfs/dbraw/zinc/10/00/58/525100058.db2.gz FWGKQTMTEAYYRT-PHIMTYICSA-N 1 0 266.772 2.091 10 0 CEAERO C[C@]([NH3+])(C(=O)NCc1cccc(F)c1)c1ccccc1 ZINC000052881369 525144393 /nfs/dbraw/zinc/14/43/93/525144393.db2.gz XXMBXXRDBYENQE-MRXNPFEDSA-N 1 0 272.323 2.316 10 0 CEAERO C[C@](O)(C[NH2+]C1CC1)c1cccc(Br)c1 ZINC000055033179 525176522 /nfs/dbraw/zinc/17/65/22/525176522.db2.gz ARWJIVXCCGEOTJ-LBPRGKRZSA-N 1 0 270.170 2.409 10 0 CEAERO COc1ccc([C@@H]([NH3+])c2cncc(F)c2)cc1OC ZINC000049576136 525192459 /nfs/dbraw/zinc/19/24/59/525192459.db2.gz DKUKEZVNUHPUBW-CQSZACIVSA-N 1 0 262.284 2.286 10 0 CEAERO COc1ccc([C@@H](O)C[NH2+][C@H](C)CN2CCCCC2)cc1 ZINC000049501291 525207528 /nfs/dbraw/zinc/20/75/28/525207528.db2.gz QPZNRUSOPVXZDC-PBHICJAKSA-N 1 0 292.423 2.193 10 0 CEAERO Cc1ccc(NC(=O)c2cc[nH+]c(NN)c2)c(C)c1 ZINC000051096265 525248528 /nfs/dbraw/zinc/24/85/28/525248528.db2.gz SRRGTMDSKOUDTJ-UHFFFAOYSA-N 1 0 256.309 2.236 10 0 CEAERO C[C@@H](NC(=O)[C@@](C)([NH3+])c1ccccc1)c1cccnc1 ZINC000052881556 525278538 /nfs/dbraw/zinc/27/85/38/525278538.db2.gz QHOHORCGTAHHFX-WBMJQRKESA-N 1 0 269.348 2.133 10 0 CEAERO Cc1cc(NN)[nH+]c(-c2cccc3cccnc32)n1 ZINC000069501954 525283869 /nfs/dbraw/zinc/28/38/69/525283869.db2.gz YRSGVWLHRHYLTD-UHFFFAOYSA-N 1 0 251.293 2.286 10 0 CEAERO Cc1ccccc1OCCC[C@](C)([NH2+]C(C)C)C(N)=O ZINC000045517198 525293652 /nfs/dbraw/zinc/29/36/52/525293652.db2.gz ACIWWMZGHDOXPH-INIZCTEOSA-N 1 0 278.396 2.396 10 0 CEAERO Cc1cc(N[C@H](CC(C)C)C[NH+](C)C)nc(C)n1 ZINC000049558076 525303366 /nfs/dbraw/zinc/30/33/66/525303366.db2.gz LHTKTYWGBPEUMM-CYBMUJFWSA-N 1 0 250.390 2.482 10 0 CEAERO COc1ccc([C@H]([NH3+])Cc2ccncc2)cc1OC ZINC000055229128 525363356 /nfs/dbraw/zinc/36/33/56/525363356.db2.gz SXAJEEDIEMYUPU-CYBMUJFWSA-N 1 0 258.321 2.341 10 0 CEAERO CSCCCCC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000150959574 525397179 /nfs/dbraw/zinc/39/71/79/525397179.db2.gz FXZFPTWHMAFACF-CYBMUJFWSA-N 1 0 270.442 2.216 10 0 CEAERO Cc1ccccc1[C@H](C)NC(=O)C[N@@H+]1CCCC[C@@H]1CO ZINC000049751956 525408097 /nfs/dbraw/zinc/40/80/97/525408097.db2.gz NMLBKGIVZQZTOI-LSDHHAIUSA-N 1 0 290.407 2.019 10 0 CEAERO Cc1ccccc1[C@H]1[C@H](C[NH2+]C(C)C)OCCN1C ZINC000070287505 525448674 /nfs/dbraw/zinc/44/86/74/525448674.db2.gz FCPLJAKAQRJBRK-HOTGVXAUSA-N 1 0 262.397 2.365 10 0 CEAERO Cc1ccc(O[C@H](C)C(=O)Nc2cccc(C[NH3+])c2)cn1 ZINC000050211966 525467830 /nfs/dbraw/zinc/46/78/30/525467830.db2.gz KFTFWGBFWSASTK-GFCCVEGCSA-N 1 0 285.347 2.255 10 0 CEAERO Cc1ccc(O[C@H](C)C[C@@](C)([NH2+]C2CC2)C(N)=O)c(C)c1 ZINC000068655177 525469259 /nfs/dbraw/zinc/46/92/59/525469259.db2.gz QNOVECKNYOHGMV-CXAGYDPISA-N 1 0 290.407 2.457 10 0 CEAERO C[C@@H](NC[C@H](O)C[NH+]1CCCCC1)c1cc(F)ccc1F ZINC000151258451 525494937 /nfs/dbraw/zinc/49/49/37/525494937.db2.gz ZTXDSNKSWCXJCD-OCCSQVGLSA-N 1 0 298.377 2.462 10 0 CEAERO Cc1cc([C@H](C[NH3+])N2CCOC(C)(C)C2)c(C)s1 ZINC000049687360 525536059 /nfs/dbraw/zinc/53/60/59/525536059.db2.gz UYEYNRTYNYHHGG-ZDUSSCGKSA-N 1 0 268.426 2.476 10 0 CEAERO Cc1ccn(-c2c(C[NH3+])c(C)nn2-c2ccccc2)n1 ZINC000052884780 525556180 /nfs/dbraw/zinc/55/61/80/525556180.db2.gz QPNVYNNVKHVXIE-UHFFFAOYSA-N 1 0 267.336 2.134 10 0 CEAERO CSC[C@@H](C)C[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000069447412 525621816 /nfs/dbraw/zinc/62/18/16/525621816.db2.gz ILTIARBKZWVZPZ-GXTWGEPZSA-N 1 0 253.411 2.483 10 0 CEAERO C[C@@H]1[C@@H](C)CCCN1c1nc2c(cc1C(N)=[NH2+])CCC2 ZINC000050565048 525644922 /nfs/dbraw/zinc/64/49/22/525644922.db2.gz GIYPCCYFCFNDHG-WDEREUQCSA-N 1 0 272.396 2.479 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCc2ccccc2C1)C(=O)N1CCCC1 ZINC000055420789 525651870 /nfs/dbraw/zinc/65/18/70/525651870.db2.gz ANVKJAQQJIZMMC-CZUORRHYSA-N 1 0 272.392 2.144 10 0 CEAERO Cc1ccc(SCC[C@H]([NH2+]C2CC2)C(N)=O)cc1C ZINC000062599746 525660054 /nfs/dbraw/zinc/66/00/54/525660054.db2.gz CRCRPONIKXVVRR-AWEZNQCLSA-N 1 0 278.421 2.392 10 0 CEAERO C[C@@H](Nc1ccnc(N(C)C)n1)c1ccc(C[NH3+])cc1 ZINC000068690010 525721286 /nfs/dbraw/zinc/72/12/86/525721286.db2.gz GTQJDFGCVWGPMU-LLVKDONJSA-N 1 0 271.368 2.174 10 0 CEAERO Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(C[NH3+])cc2)o1 ZINC000049204524 525739671 /nfs/dbraw/zinc/73/96/71/525739671.db2.gz RGWADZOOPAITJL-LLVKDONJSA-N 1 0 294.376 2.086 10 0 CEAERO C[C@@]([NH3+])(C(=O)NCc1ccccc1F)c1ccccc1 ZINC000052881190 525747479 /nfs/dbraw/zinc/74/74/79/525747479.db2.gz ZWDHRINLITVGPF-INIZCTEOSA-N 1 0 272.323 2.316 10 0 CEAERO Cc1ccc([C@@H]([C@@H](C)[NH3+])N2CCC[C@@H]2CCCO)o1 ZINC000052757226 525785713 /nfs/dbraw/zinc/78/57/13/525785713.db2.gz WONMVWRAFZTMHN-UMVBOHGHSA-N 1 0 266.385 2.213 10 0 CEAERO Cc1ccc(-c2nc(CN3[C@@H](C)C[NH2+]C[C@@H]3C)no2)cc1 ZINC000069134659 525812682 /nfs/dbraw/zinc/81/26/82/525812682.db2.gz KUGMVJBEOWPQOA-STQMWFEESA-N 1 0 286.379 2.227 10 0 CEAERO C[C@H](O)c1ccccc1NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000049547184 525860118 /nfs/dbraw/zinc/86/01/18/525860118.db2.gz HMXTUTYSKPDAKX-JOYOIKCWSA-N 1 0 250.342 2.052 10 0 CEAERO C[C@@H](O)c1cnc(N2CC[NH+](C(C)(C)C)CC2)s1 ZINC000054928196 525881612 /nfs/dbraw/zinc/88/16/12/525881612.db2.gz UEPPHUWYXUYAFK-SNVBAGLBSA-N 1 0 269.414 2.117 10 0 CEAERO C[C@@]1(c2ccc(C(F)(F)F)cc2)C[C@@]1(C[NH3+])CO ZINC000062670163 525887449 /nfs/dbraw/zinc/88/74/49/525887449.db2.gz WXZRXKJHTOQYQA-NWDGAFQWSA-N 1 0 259.271 2.304 10 0 CEAERO Cc1ccsc1[C@H]1[C@@H](C[NH2+]C(C)C)OCCN1C ZINC000070287447 525898184 /nfs/dbraw/zinc/89/81/84/525898184.db2.gz IZHWBZYVXQAZSG-CHWSQXEVSA-N 1 0 268.426 2.426 10 0 CEAERO C[C@@]1(c2ccccc2)C[NH2+]CCN1Cc1cccnc1 ZINC000068696639 525903220 /nfs/dbraw/zinc/90/32/20/525903220.db2.gz BVDFGKPYAPJUJJ-KRWDZBQOSA-N 1 0 267.376 2.402 10 0 CEAERO COc1cccc(CN2CC[NH2+][C@](C)(C3CC3)C2)c1 ZINC000068694168 525948384 /nfs/dbraw/zinc/94/83/84/525948384.db2.gz YOOMZPKNCXOUPR-INIZCTEOSA-N 1 0 260.381 2.269 10 0 CEAERO CSc1ccc(CN(C)C(=O)CCCC[NH3+])cc1 ZINC000070202365 525988205 /nfs/dbraw/zinc/98/82/05/525988205.db2.gz VHICBPLPILVORN-UHFFFAOYSA-N 1 0 266.410 2.496 10 0 CEAERO Cc1cc(/C=C2\SC(=O)N(CC[NH3+])C2=O)c(C)s1 ZINC000049685408 526093713 /nfs/dbraw/zinc/09/37/13/526093713.db2.gz KNCHGIIYUUBIOS-POHAHGRESA-N 1 0 282.390 2.360 10 0 CEAERO COc1cccc(Cn2nc(C)c(C[C@@H](C)[NH3+])c2C)c1 ZINC000062803235 526111347 /nfs/dbraw/zinc/11/13/47/526111347.db2.gz HPUHXCOTYPSMEO-LLVKDONJSA-N 1 0 273.380 2.447 10 0 CEAERO Cc1ccc(C(=O)NCc2ccc(CC[NH3+])cc2)cc1O ZINC000052898980 526184248 /nfs/dbraw/zinc/18/42/48/526184248.db2.gz ZSOLDDVGCGMARA-UHFFFAOYSA-N 1 0 284.359 2.132 10 0 CEAERO COc1cccc(OC)c1C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000063193087 526214682 /nfs/dbraw/zinc/21/46/82/526214682.db2.gz RSIYMCHXUIJETR-VXGBXAGGSA-N 1 0 292.379 2.046 10 0 CEAERO Cc1ccc(C(N)=S)c(NCC[N@@H+](C)C(C)C)c1 ZINC000054134522 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ZINC000055269734 526369452 /nfs/dbraw/zinc/36/94/52/526369452.db2.gz SJNITPFRVWIDPU-JTQLQIEISA-N 1 0 260.366 2.168 10 0 CEAERO Cc1nnc(Sc2c(C(N)=[NH2+])cnc3ccccc32)o1 ZINC000051038176 526391346 /nfs/dbraw/zinc/39/13/46/526391346.db2.gz NRRSVWABTOAJKV-UHFFFAOYSA-N 1 0 285.332 2.361 10 0 CEAERO c1c(CN2CCC[C@@H]2[C@@H]2CCC[NH2+]2)nc2ccccn12 ZINC000051360034 526398288 /nfs/dbraw/zinc/39/82/88/526398288.db2.gz JBEHJBMWNLPINR-LSDHHAIUSA-N 1 0 270.380 2.051 10 0 CEAERO Cc1csc(SCc2ccnc(C(N)=[NH2+])c2)n1 ZINC000068762891 526399504 /nfs/dbraw/zinc/39/95/04/526399504.db2.gz YVEDEPPOZSKOKR-UHFFFAOYSA-N 1 0 264.379 2.423 10 0 CEAERO O=C(CCC1CC[NH2+]CC1)Nc1cccnc1Cl ZINC000050944124 526412410 /nfs/dbraw/zinc/41/24/10/526412410.db2.gz FDXPUUMMMRSDRK-UHFFFAOYSA-N 1 0 267.760 2.453 10 0 CEAERO c1ccc(-n2nnnc2SCC[C@H]2CCC[NH2+]C2)cc1 ZINC000051920328 526460333 /nfs/dbraw/zinc/46/03/33/526460333.db2.gz OOVIHJPXEBODJR-GFCCVEGCSA-N 1 0 289.408 2.144 10 0 CEAERO c1ccc2c(c1)ccnc2-c1noc([C@H]2CC[NH2+]C2)n1 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O=C(NCc1ccc(Cl)s1)[C@H]1CCC[NH2+]C1 ZINC000070203881 526665670 /nfs/dbraw/zinc/66/56/70/526665670.db2.gz BQVZJSLQESPHBJ-QMMMGPOBSA-N 1 0 258.774 2.017 10 0 CEAERO O=C(NCc1cccc(F)c1)c1ccc2c(c1)C[NH2+]C2 ZINC000156650757 526719956 /nfs/dbraw/zinc/71/99/56/526719956.db2.gz MFQOAKMYPZWWQO-UHFFFAOYSA-N 1 0 270.307 2.359 10 0 CEAERO Cc1nc(C)n(Cc2ccc(C[NH2+]C3CC3)cc2)n1 ZINC000052574467 526763978 /nfs/dbraw/zinc/76/39/78/526763978.db2.gz RVOAXVXJXFJSRP-UHFFFAOYSA-N 1 0 256.353 2.195 10 0 CEAERO O=C(CN1CC[NH2+]CC1)c1cc(Cl)sc1Cl ZINC000050499171 526787469 /nfs/dbraw/zinc/78/74/69/526787469.db2.gz BZXAYFWMNJMCMY-UHFFFAOYSA-N 1 0 279.192 2.143 10 0 CEAERO NC(=[NH2+])c1cc(Cl)ccc1-n1nnc(-c2ccccc2)n1 ZINC000052860238 526820494 /nfs/dbraw/zinc/82/04/94/526820494.db2.gz ITKRYXMXFGXNIW-UHFFFAOYSA-N 1 0 298.737 2.267 10 0 CEAERO NC(=[NH2+])c1ccc(OCCn2ncc3ccccc32)cc1 ZINC000050526193 526823398 /nfs/dbraw/zinc/82/33/98/526823398.db2.gz VBIXDSLGSGXGSX-UHFFFAOYSA-N 1 0 280.331 2.399 10 0 CEAERO Cc1oncc1C(=O)N1C[C@H](CC[NH3+])c2ccccc21 ZINC000063128147 526857632 /nfs/dbraw/zinc/85/76/32/526857632.db2.gz QCBLBMJHMPKWMP-NSHDSACASA-N 1 0 271.320 2.076 10 0 CEAERO CC(C)(C)c1nnc(NC[C@H](O)C[NH+]2CCCCC2)s1 ZINC000153104839 526894892 /nfs/dbraw/zinc/89/48/92/526894892.db2.gz VUMBMHKVEULDGZ-NSHDSACASA-N 1 0 298.456 2.094 10 0 CEAERO Cc1nc(N2CCO[C@@H](C)C2)sc1C[NH2+]C(C)C ZINC000054995707 526970692 /nfs/dbraw/zinc/97/06/92/526970692.db2.gz BGAALLYCAUZCJA-JTQLQIEISA-N 1 0 269.414 2.175 10 0 CEAERO NC(=O)[C@H](N)CC[NH+](C1CCCCC1)C1CCCCC1 ZINC000062437486 526993454 /nfs/dbraw/zinc/99/34/54/526993454.db2.gz KBIDKPHASCYNPM-OAHLLOKOSA-N 1 0 281.444 2.157 10 0 CEAERO Cc1nc(Nc2ccccc2)nc(N2CC[C@@H]([NH3+])C2)c1C ZINC000045947868 527005314 /nfs/dbraw/zinc/00/53/14/527005314.db2.gz BMKUEPHDRJLAEK-CYBMUJFWSA-N 1 0 283.379 2.374 10 0 CEAERO Clc1ncccc1CN1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000052709697 527010954 /nfs/dbraw/zinc/01/09/54/527010954.db2.gz OWNJUZRDZNEYKK-STQMWFEESA-N 1 0 265.788 2.451 10 0 CEAERO NC(=O)c1c(Cl)cccc1N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000052906415 527018944 /nfs/dbraw/zinc/01/89/44/527018944.db2.gz ACIPSBSVHZXNPW-NWDGAFQWSA-N 1 0 293.798 2.160 10 0 CEAERO NC(=O)c1ccc(N[C@@H]2CCCC[C@H]2[NH3+])c(Cl)c1 ZINC000062791323 527068948 /nfs/dbraw/zinc/06/89/48/527068948.db2.gz UVTSLIOGNOAVIK-ZYHUDNBSSA-N 1 0 267.760 2.121 10 0 CEAERO Cc1[nH+]c2cc(N)ccc2n1[C@@H](C)Cn1cccn1 ZINC000052855505 527123090 /nfs/dbraw/zinc/12/30/90/527123090.db2.gz BTRVTPJFEOZUCB-JTQLQIEISA-N 1 0 255.325 2.385 10 0 CEAERO [NH3+]C1CCC(C(=O)N[C@@H]2CCc3ccccc3C2)CC1 ZINC000051632155 527138824 /nfs/dbraw/zinc/13/88/24/527138824.db2.gz JJSJAPGRKNQWEN-AVVWSFFYSA-N 1 0 272.392 2.178 10 0 CEAERO Cc1nc2ccc(NC(=O)[C@H](C)C3C[NH2+]C3)cc2s1 ZINC000163960912 527145493 /nfs/dbraw/zinc/14/54/93/527145493.db2.gz RCFWJWVWJNRQGE-MRVPVSSYSA-N 1 0 275.377 2.399 10 0 CEAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2CCCCn1ccnc1 ZINC000054602834 527145711 /nfs/dbraw/zinc/14/57/11/527145711.db2.gz UXDILKUEGQBUHV-GOOCMWNKSA-N 1 0 262.401 2.008 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2ncccc2c1 ZINC000061416176 527146776 /nfs/dbraw/zinc/14/67/76/527146776.db2.gz NORZZWPWGIRPHS-GOOCMWNKSA-N 1 0 281.359 2.329 10 0 CEAERO [NH3+]CC1(C(=O)NC[C@@H]2Cc3ccccc3O2)CCCCC1 ZINC000051087046 527161628 /nfs/dbraw/zinc/16/16/28/527161628.db2.gz GPAJECPHVFHTBT-AWEZNQCLSA-N 1 0 288.391 2.016 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1ccc2[nH]ccc2c1 ZINC000054308683 527167421 /nfs/dbraw/zinc/16/74/21/527167421.db2.gz OWVXDOSNBNFFDK-LLVKDONJSA-N 1 0 257.337 2.496 10 0 CEAERO [NH3+]CCCc1nnc(Cc2ccc(F)cc2Cl)[nH]1 ZINC000062609412 527183655 /nfs/dbraw/zinc/18/36/55/527183655.db2.gz VCHCGHSWKDEHCA-UHFFFAOYSA-N 1 0 268.723 2.079 10 0 CEAERO [NH3+]CCc1nccn1Cc1ccc(F)c(Br)c1 ZINC000052304313 527199162 /nfs/dbraw/zinc/19/91/62/527199162.db2.gz KAOCIGOQESKGAF-UHFFFAOYSA-N 1 0 298.159 2.334 10 0 CEAERO [NH3+]C[C@@H](c1cc2ccccc2o1)N1CCCOCC1 ZINC000068811968 527205888 /nfs/dbraw/zinc/20/58/88/527205888.db2.gz VTZJYVHFOFPBRW-ZDUSSCGKSA-N 1 0 260.337 2.155 10 0 CEAERO [NH3+]C[C@@H](c1cccnc1)n1cc(-c2ccccc2)cn1 ZINC000054960958 527208065 /nfs/dbraw/zinc/20/80/65/527208065.db2.gz OTLZJWFMTIDYGJ-INIZCTEOSA-N 1 0 264.332 2.493 10 0 CEAERO [NH3+]C[C@@H]1CC[C@H](COc2ccc(Br)cc2)O1 ZINC000052664247 527219654 /nfs/dbraw/zinc/21/96/54/527219654.db2.gz BSJBDNKNIGAIRM-NWDGAFQWSA-N 1 0 286.169 2.334 10 0 CEAERO [NH3+]C[C@H](C(=O)NCCc1ccc(F)cc1)c1ccccc1 ZINC000061610687 527223297 /nfs/dbraw/zinc/22/32/97/527223297.db2.gz AFEVSHPLHQWHKV-INIZCTEOSA-N 1 0 286.350 2.227 10 0 CEAERO Cn1cc(C[C@@H](C[NH3+])Cc2cccc(Cl)c2)cn1 ZINC000052948013 527228520 /nfs/dbraw/zinc/22/85/20/527228520.db2.gz CQCPEFAEJIWIFR-LBPRGKRZSA-N 1 0 263.772 2.434 10 0 CEAERO [NH3+]Cc1cc(N2CCC[C@H]2c2cccnc2)ccn1 ZINC000061811573 527248656 /nfs/dbraw/zinc/24/86/56/527248656.db2.gz VFUAZACFOBBKBT-HNNXBMFYSA-N 1 0 254.337 2.277 10 0 CEAERO NNc1ccc(Cl)c(COCC(F)(F)F)[nH+]1 ZINC000061639529 527279777 /nfs/dbraw/zinc/27/97/77/527279777.db2.gz LXUVHCYZCKBGCN-UHFFFAOYSA-N 1 0 255.627 2.100 10 0 CEAERO NNc1ccc(Cl)c(CN2CCO[C@H]3CCCC[C@@H]32)[nH+]1 ZINC000061638610 527280499 /nfs/dbraw/zinc/28/04/99/527280499.db2.gz PIVVABCRYSPPLK-STQMWFEESA-N 1 0 296.802 2.164 10 0 CEAERO NNc1[nH+]cc(C(=O)N2CCCCCC2)cc1Cl ZINC000051095871 527286895 /nfs/dbraw/zinc/28/68/95/527286895.db2.gz KJFXQYDSBHWCEL-UHFFFAOYSA-N 1 0 268.748 2.037 10 0 CEAERO NNc1[nH+]cccc1CN1CCCc2ccccc21 ZINC000052723842 527288787 /nfs/dbraw/zinc/28/87/87/527288787.db2.gz ZKFKQCDLRBEFLJ-UHFFFAOYSA-N 1 0 254.337 2.320 10 0 CEAERO O=S1(=O)CCC[C@@H]([NH2+][C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000069142719 527300946 /nfs/dbraw/zinc/30/09/46/527300946.db2.gz BRQGNYCKDPJIIX-CABCVRRESA-N 1 0 297.395 2.444 10 0 CEAERO O=S1(=O)CC[C@@H]([C@@H](C[NH2+]C2CC2)CC2CCCC2)C1 ZINC000052951796 527310433 /nfs/dbraw/zinc/31/04/33/527310433.db2.gz XMMGAMOHCSAVEK-ZIAGYGMSSA-N 1 0 285.453 2.370 10 0 CEAERO [NH3+][C@@H](C[C@@H]1CCCO1)c1ccc2c(c1)OCCCO2 ZINC000055205969 527334855 /nfs/dbraw/zinc/33/48/55/527334855.db2.gz AICYIAPVZDQVBU-STQMWFEESA-N 1 0 263.337 2.417 10 0 CEAERO [NH3+][C@@H](Cn1ccc(=O)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000061627966 527337906 /nfs/dbraw/zinc/33/79/06/527337906.db2.gz IALGXNRMTYSZFM-AIWVUANBSA-N 1 0 272.392 2.392 10 0 CEAERO [NH3+][C@@H](c1ccc(Cl)c(Cl)c1)[C@@H]1COCCO1 ZINC000055299126 527339442 /nfs/dbraw/zinc/33/94/42/527339442.db2.gz GBANYBUJRQHRND-QWRGUYRKSA-N 1 0 262.136 2.409 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@H]1NC(=O)c1cccc(F)c1F ZINC000063210372 527341740 /nfs/dbraw/zinc/34/17/40/527341740.db2.gz OQTVNBNWNPHXKK-VXGBXAGGSA-N 1 0 268.307 2.355 10 0 CEAERO [NH3+][C@H](Cc1ccccn1)c1ccc2c(c1)OCCCO2 ZINC000055206099 527390093 /nfs/dbraw/zinc/39/00/93/527390093.db2.gz QEJGBHAPTLZAJR-CQSZACIVSA-N 1 0 270.332 2.485 10 0 CEAERO [NH3+][C@H](c1noc(-c2ccc3c(c2)CCO3)n1)C1CC1 ZINC000050892669 527392574 /nfs/dbraw/zinc/39/25/74/527392574.db2.gz VYMJLOBRWPWKHC-LBPRGKRZSA-N 1 0 257.293 2.081 10 0 CEAERO Cc1nccn1CCOc1cccc2c1CC[C@@H]2[NH3+] ZINC000062798270 527435249 /nfs/dbraw/zinc/43/52/49/527435249.db2.gz SJXHAHPEOVYYFJ-AWEZNQCLSA-N 1 0 257.337 2.217 10 0 CEAERO Nc1cc(F)c(N[C@@H]2CC[N@@H+]3CCC[C@H]23)c(F)c1 ZINC000049564674 527453461 /nfs/dbraw/zinc/45/34/61/527453461.db2.gz NQWNYYNOUKGAIP-VXGBXAGGSA-N 1 0 253.296 2.196 10 0 CEAERO Nc1[nH+]c2cccc(Cl)c2n1C[C@@H]1CCOC1 ZINC000061146975 527561113 /nfs/dbraw/zinc/56/11/13/527561113.db2.gz UCKBADCOSATSIO-QMMMGPOBSA-N 1 0 251.717 2.308 10 0 CEAERO O[C@@H](CCN1CC[C@H]([NH+]2CCCC2)C1)c1ccc(F)cc1 ZINC000062971066 527644346 /nfs/dbraw/zinc/64/43/46/527644346.db2.gz XYQRVXZVRIZGDD-IRXDYDNUSA-N 1 0 292.398 2.419 10 0 CEAERO Cc1nn(C)c(N(C)CC(F)(F)F)c1C[NH2+]CC(C)C ZINC000062736367 527669857 /nfs/dbraw/zinc/66/98/57/527669857.db2.gz YYHPUYGKBKJNDS-UHFFFAOYSA-N 1 0 292.349 2.473 10 0 CEAERO CCO[C@@H]1C[C@@H]([N@H+](C)CCC(=O)OC)C12CCCC2 ZINC000178717238 527802384 /nfs/dbraw/zinc/80/23/84/527802384.db2.gz XYPGGIKWQKDZDV-CHWSQXEVSA-N 1 0 269.385 2.219 10 0 CEAERO CCN1CC[C@H]([NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000414331591 527879750 /nfs/dbraw/zinc/87/97/50/527879750.db2.gz DEXCLHZOQNNCBL-GTPINHCMSA-N 1 0 274.408 2.418 10 0 CEAERO CC(C)C[C@H](C)OCCC(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000193643859 528484011 /nfs/dbraw/zinc/48/40/11/528484011.db2.gz GOSZDHPOHFMYRS-MELADBBJSA-N 1 0 270.417 2.084 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cnc(C)s1 ZINC000175351438 529097863 /nfs/dbraw/zinc/09/78/63/529097863.db2.gz WBIONIXSFUPRNG-LBPRGKRZSA-N 1 0 253.415 2.368 10 0 CEAERO CC[C@H]1CN(Cc2ccn(C(C)C)n2)CC[N@@H+]1CCOC ZINC000172014244 529297452 /nfs/dbraw/zinc/29/74/52/529297452.db2.gz KGHLJTDGRAKKSR-INIZCTEOSA-N 1 0 294.443 2.007 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccccc1N1CCN(C)C(=O)C1 ZINC000084204753 535185843 /nfs/dbraw/zinc/18/58/43/535185843.db2.gz VLYYWDOLCSYUOF-ZDUSSCGKSA-N 1 0 275.396 2.026 10 0 CEAERO CCOCCCOc1cccc(N2CCC[C@@H]([NH3+])C2)c1 ZINC000087326262 535552926 /nfs/dbraw/zinc/55/29/26/535552926.db2.gz OJDBOFVCSCTHTR-CQSZACIVSA-N 1 0 278.396 2.420 10 0 CEAERO 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625183445 /nfs/dbraw/zinc/18/34/45/625183445.db2.gz AAVLFIXLSAMMIQ-HZMBPMFUSA-N 1 0 259.328 2.153 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccccc1N(C)C ZINC000235298661 625260024 /nfs/dbraw/zinc/26/00/24/625260024.db2.gz HQUISDHHWWXHGU-RYUDHWBXSA-N 1 0 261.369 2.079 10 0 CEAERO C[C@H]1CN(C(=O)Cc2ccc3ccccc3c2)C[C@H]1[NH3+] ZINC000235719685 625721692 /nfs/dbraw/zinc/72/16/92/625721692.db2.gz BZQVPWUIXRIXSX-BLLLJJGKSA-N 1 0 268.360 2.188 10 0 CEAERO CC1(C[NH2+][C@@H]2CCCN(CCO)C2)CCCCCC1 ZINC000394587362 627812006 /nfs/dbraw/zinc/81/20/06/627812006.db2.gz KCVUZKQPCXSTQN-OAHLLOKOSA-N 1 0 268.445 2.393 10 0 CEAERO C[NH2+]C1(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)CCC1 ZINC000312015048 628056531 /nfs/dbraw/zinc/05/65/31/628056531.db2.gz XKDGVXDZWYYGAQ-UWVGGRQHSA-N 1 0 278.318 2.366 10 0 CEAERO C[C@@H]([NH2+]CCCNC(=O)C(F)(F)F)c1cccs1 ZINC000182562107 628162285 /nfs/dbraw/zinc/16/22/85/628162285.db2.gz RPGRLYTXXWRWGV-MRVPVSSYSA-N 1 0 280.315 2.467 10 0 CEAERO Cc1nc(CC(=O)N[C@H](CC(C)C)C[NH+](C)C)cs1 ZINC000077730561 628285615 /nfs/dbraw/zinc/28/56/15/628285615.db2.gz HTZFWORJYGOANW-GFCCVEGCSA-N 1 0 283.441 2.087 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1c1ncnc2ccccc21 ZINC000053706765 628512695 /nfs/dbraw/zinc/51/26/95/628512695.db2.gz NWKOWJQTJPPTET-GFCCVEGCSA-N 1 0 256.353 2.208 10 0 CEAERO Brc1cccnc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000310095731 628538738 /nfs/dbraw/zinc/53/87/38/628538738.db2.gz LKZOZUYKCFRLMG-NSHDSACASA-N 1 0 296.212 2.124 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1c1nc(-c2ccc(F)cn2)no1 ZINC000094044399 628750107 /nfs/dbraw/zinc/75/01/07/628750107.db2.gz BRYUINQQAVUPIJ-WPRPVWTQSA-N 1 0 262.288 2.113 10 0 CEAERO C[C@@H]([NH3+])C1CCN(c2ncc(Cl)cc2F)CC1 ZINC000094052547 628750535 /nfs/dbraw/zinc/75/05/35/628750535.db2.gz SVRWRFZTRGTSPF-MRVPVSSYSA-N 1 0 257.740 2.438 10 0 CEAERO CCCC(=O)N[C@@H]1CCC[N@H+](C[C@H]2CCC=CO2)C1 ZINC000249023628 628763229 /nfs/dbraw/zinc/76/32/29/628763229.db2.gz KPDFNAMZUAEKLB-ZIAGYGMSSA-N 1 0 266.385 2.060 10 0 CEAERO Cc1cc([C@H](C)[NH2+]C2CCN(CCO)CC2)c(C)o1 ZINC000399143339 628779578 /nfs/dbraw/zinc/77/95/78/628779578.db2.gz VSZZUWZIPYVQOA-LBPRGKRZSA-N 1 0 266.385 2.004 10 0 CEAERO CC(=O)[C@@H]1CCC[N@@H+](CC[C@@H]2CCCCN2C)C1 ZINC000224873389 628883312 /nfs/dbraw/zinc/88/33/12/628883312.db2.gz SHPAAWXCLZYVCL-CABCVRRESA-N 1 0 252.402 2.162 10 0 CEAERO Cc1ccc(Br)cc1C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000261540592 628936588 /nfs/dbraw/zinc/93/65/88/628936588.db2.gz AHMKCLDCQTTYOW-JOYOIKCWSA-N 1 0 297.196 2.319 10 0 CEAERO CCC(CC)(C[NH3+])C(=O)N[C@@H](C)c1csc(C)n1 ZINC000261611885 628948441 /nfs/dbraw/zinc/94/84/41/628948441.db2.gz AVMJMWAFVOVHMX-VIFPVBQESA-N 1 0 269.414 2.394 10 0 CEAERO COc1ccc(CN2CC[C@H]([NH3+])[C@H]2C)cc1OC(F)F ZINC000261681534 628974857 /nfs/dbraw/zinc/97/48/57/628974857.db2.gz GQXJOAPOMMJCIX-KOLCDFICSA-N 1 0 286.322 2.218 10 0 CEAERO COC[C@@]1(C(=O)N[C@@H](C)c2ccccc2Cl)CC[NH2+]C1 ZINC000261672305 628982201 /nfs/dbraw/zinc/98/22/01/628982201.db2.gz FZFWCIHUOQWGNV-XHDPSFHLSA-N 1 0 296.798 2.143 10 0 CEAERO CCc1oc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1C ZINC000237077401 629255210 /nfs/dbraw/zinc/25/52/10/629255210.db2.gz FAIWJMWLTXGQNH-GHMZBOCLSA-N 1 0 250.342 2.008 10 0 CEAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]CC12CCSCC2 ZINC000757184533 631830350 /nfs/dbraw/zinc/83/03/50/631830350.db2.gz LFPNEKVRPJMQEP-SNVBAGLBSA-N 1 0 257.399 2.061 10 0 CEAERO CCN(CC)c1ccc([C@@H]([NH3+])CC(=O)OC)cc1 ZINC000095638295 632247605 /nfs/dbraw/zinc/24/76/05/632247605.db2.gz AZAYUZPOXCYPMG-ZDUSSCGKSA-N 1 0 250.342 2.096 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1c1nc(-c2cscn2)no1 ZINC000150262435 638076448 /nfs/dbraw/zinc/07/64/48/638076448.db2.gz KDDFXAFFEKAIJC-HTQZYQBOSA-N 1 0 250.327 2.036 10 0 CEAERO CC(C)Cc1nnc(NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])s1 ZINC000150692989 638641449 /nfs/dbraw/zinc/64/14/49/638641449.db2.gz APONGADPZCUXSW-ZJUUUORDSA-N 1 0 282.413 2.193 10 0 CEAERO C[NH2+][C@@H]1CCCN(C(=O)[C@H](C)Cc2ccccc2)C1 ZINC000151017354 639164797 /nfs/dbraw/zinc/16/47/97/639164797.db2.gz VKTXKRBZSSFJCE-UKRRQHHQSA-N 1 0 260.381 2.076 10 0 CEAERO Cc1cc(Cl)ncc1NC(=O)[C@H]([NH3+])CC(C)C ZINC000157417802 639485782 /nfs/dbraw/zinc/48/57/82/639485782.db2.gz UWBOHRMLPFBZFN-SECBINFHSA-N 1 0 255.749 2.355 10 0 CEAERO CO[C@H](c1noc(CCCCCC[NH3+])n1)C1CC1 ZINC000227330086 639583634 /nfs/dbraw/zinc/58/36/34/639583634.db2.gz CYDZSXASIXFHFH-LBPRGKRZSA-N 1 0 253.346 2.229 10 0 CEAERO COC(=O)[C@@H]1C[N@H+](CCOc2cccc(Cl)c2)C[C@@H]1C ZINC000227807111 639605413 /nfs/dbraw/zinc/60/54/13/639605413.db2.gz CYKOAZLAXMOBGO-SMDDNHRTSA-N 1 0 297.782 2.460 10 0 CEAERO Cc1sc2ncnc(N3CC[C@H]([C@H](C)[NH3+])C3)c2c1C ZINC000228162134 639621430 /nfs/dbraw/zinc/62/14/30/639621430.db2.gz RNDRKHWSCTVRNF-ONGXEEELSA-N 1 0 276.409 2.482 10 0 CEAERO COC(=O)[C@@H]1C[NH2+]C[C@@]12CCC[C@@H](C(F)(F)F)C2 ZINC000229827448 639722454 /nfs/dbraw/zinc/72/24/54/639722454.db2.gz NOMIFGKAJPRNTJ-YWVKMMECSA-N 1 0 265.275 2.118 10 0 CEAERO O=C1NCCC[C@]12CC[N@H+](C/C=C\c1ccccc1)C2 ZINC000229975047 639726016 /nfs/dbraw/zinc/72/60/16/639726016.db2.gz IEZSFYBMJVPWRA-RLXIPRIJSA-N 1 0 270.376 2.302 10 0 CEAERO Cc1ncc(CN2CC[NH+](C[Si](C)(C)C)CC2)s1 ZINC000171745998 639729021 /nfs/dbraw/zinc/72/90/21/639729021.db2.gz RDTWISXXCSDCHQ-UHFFFAOYSA-N 1 0 283.517 2.447 10 0 CEAERO C[NH+](C)[C@@H]1CCN(c2nc(Cl)nc3ccccc32)C1 ZINC000062983290 639803508 /nfs/dbraw/zinc/80/35/08/639803508.db2.gz VKVJDSWQNXKVMU-SNVBAGLBSA-N 1 0 276.771 2.424 10 0 CEAERO OC[C@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1ccccc1 ZINC000063002459 639806182 /nfs/dbraw/zinc/80/61/82/639806182.db2.gz UFWNWOISIJCSIF-JKSUJKDBSA-N 1 0 275.323 2.182 10 0 CEAERO CO[C@H](C[NH3+])CC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000232110697 639901278 /nfs/dbraw/zinc/90/12/78/639901278.db2.gz LHEKRHKLLLQYOD-INRQWTSDSA-N 1 0 294.439 2.071 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1c1nc(-c2ccc(O)c(F)c2)no1 ZINC000232348983 639915077 /nfs/dbraw/zinc/91/50/77/639915077.db2.gz WLGIZRHTCUESKE-NXEZZACHSA-N 1 0 277.299 2.424 10 0 CEAERO COc1ccc(NC(=O)[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000089385499 640360969 /nfs/dbraw/zinc/36/09/69/640360969.db2.gz PEYCCYBUXBAFPO-FZMZJTMJSA-N 1 0 262.353 2.399 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@H]1C(=O)NCc1ccsc1 ZINC000089399246 640391012 /nfs/dbraw/zinc/39/10/12/640391012.db2.gz OYPJZTDHKAMCJI-VXGBXAGGSA-N 1 0 252.383 2.129 10 0 CEAERO C[N@H+](C[C@H](O)c1cccc(C(F)(F)F)c1)[C@H]1CCOC1 ZINC000252952564 641599143 /nfs/dbraw/zinc/59/91/43/641599143.db2.gz FUIHTMGBYKDELT-STQMWFEESA-N 1 0 289.297 2.460 10 0 CEAERO CSCCCCCCNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000182193330 641633789 /nfs/dbraw/zinc/63/37/89/641633789.db2.gz QKBWLAMRNSRTSR-ZDUSSCGKSA-N 1 0 287.473 2.255 10 0 CEAERO C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000070573703 641682460 /nfs/dbraw/zinc/68/24/60/641682460.db2.gz QBTVENFFOWSMJZ-XBFCOCLRSA-N 1 0 258.365 2.482 10 0 CEAERO C[NH2+][C@@H](C)CNCc1ccc(Br)s1 ZINC000070600473 641686299 /nfs/dbraw/zinc/68/62/99/641686299.db2.gz LHJJAYOQTIKEHO-ZETCQYMHSA-N 1 0 263.204 2.208 10 0 CEAERO CC(C)Oc1cncc(NCc2ccc(CC[NH3+])cc2)n1 ZINC000071176085 641727203 /nfs/dbraw/zinc/72/72/03/641727203.db2.gz JIVIOLMAVRFNML-UHFFFAOYSA-N 1 0 286.379 2.377 10 0 CEAERO Cc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCS1(=O)=O ZINC000126841381 650975816 /nfs/dbraw/zinc/97/58/16/650975816.db2.gz IKELHCKRTKTUMH-QWHCGFSZSA-N 1 0 267.394 2.223 10 0 CEAERO CCC(CC)C[N@H+](CC)CN1C(=O)CC(C)(C)C1=O ZINC000129546426 652012277 /nfs/dbraw/zinc/01/22/77/652012277.db2.gz HLJJGLPSICSAKU-UHFFFAOYSA-N 1 0 268.401 2.487 10 0 CEAERO CC(C)CCCCCCNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129694413 652112001 /nfs/dbraw/zinc/11/20/01/652112001.db2.gz BRHIIUBLLKPULV-UHFFFAOYSA-N 1 0 297.487 2.393 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(Cl)c1F ZINC000131099933 652379832 /nfs/dbraw/zinc/37/98/32/652379832.db2.gz ZHXDOVDQSHQBRQ-KWQFWETISA-N 1 0 270.735 2.336 10 0 CEAERO Cc1sc2ncnc(NC[C@H]3CC[NH2+]C3)c2c1C ZINC000133773991 652717781 /nfs/dbraw/zinc/71/77/81/652717781.db2.gz LXONDQNVSGEVGY-JTQLQIEISA-N 1 0 262.382 2.330 10 0 CEAERO CCC1CCC(NC(=O)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000134546523 652852912 /nfs/dbraw/zinc/85/29/12/652852912.db2.gz ICHRWNQEQYECHG-ROKHWSDSSA-N 1 0 252.402 2.461 10 0 CEAERO COC(=O)Nc1cccc(NC(=O)C[C@@H]([NH3+])C(C)C)c1 ZINC000136368726 653070270 /nfs/dbraw/zinc/07/02/70/653070270.db2.gz FWVFJNAYJYLXTG-GFCCVEGCSA-N 1 0 279.340 2.177 10 0 CEAERO CN(CC1CC[NH+](C)CC1)c1ncc(N)cc1Cl ZINC000234342711 721934063 /nfs/dbraw/zinc/93/40/63/721934063.db2.gz BOEFIAXDGXHBLZ-UHFFFAOYSA-N 1 0 268.792 2.095 10 0 CEAERO C[NH2+][C@H](CS(=O)(=O)C1CCCCC1)C(C)(C)C ZINC000081979000 177910760 /nfs/dbraw/zinc/91/07/60/177910760.db2.gz XSMSGHHZNAXXNX-GFCCVEGCSA-N 1 0 261.431 2.368 10 0 CEAERO CCC[NH2+]CCCS(=O)(=O)[C@@H]1CCC[C@H](C)C1 ZINC000081983680 177911481 /nfs/dbraw/zinc/91/14/81/177911481.db2.gz SYXAQINGAKEQCW-QWHCGFSZSA-N 1 0 261.431 2.370 10 0 CEAERO COCC[NH2+]CCC[S@@](=O)c1cccc(Cl)c1 ZINC000081994013 177916292 /nfs/dbraw/zinc/91/62/92/177916292.db2.gz QACMBEMTDBYEGF-KRWDZBQOSA-N 1 0 275.801 2.074 10 0 CEAERO C[NH2+][C@H](C[S@](=O)c1cccc(Cl)c1)C1CC1 ZINC000081993457 177916393 /nfs/dbraw/zinc/91/63/93/177916393.db2.gz FAJOIWLZGGRLHB-MLGOLLRUSA-N 1 0 257.786 2.446 10 0 CEAERO COc1ccccc1[S@@](=O)CCCC[C@H](C)[NH3+] ZINC000081999780 177916946 /nfs/dbraw/zinc/91/69/46/177916946.db2.gz BRNYGAZHIGSCFX-APPDUMDISA-N 1 0 255.383 2.320 10 0 CEAERO COCC[NH2+]CCC[S@](=O)c1ccccc1Cl ZINC000082001975 177917400 /nfs/dbraw/zinc/91/74/00/177917400.db2.gz HVXDVZDZUCDIOJ-QGZVFWFLSA-N 1 0 275.801 2.074 10 0 CEAERO O=C(NC1CC[NH2+]CC1)C1(c2ccccc2F)CCC1 ZINC000082263626 177935327 /nfs/dbraw/zinc/93/53/27/177935327.db2.gz XJBVTFGKUIHLKN-UHFFFAOYSA-N 1 0 276.355 2.116 10 0 CEAERO C[NH2+]CCc1nnc(CCc2ccccc2C)s1 ZINC000082296681 177950752 /nfs/dbraw/zinc/95/07/52/177950752.db2.gz HWMFAAKUTZATDQ-UHFFFAOYSA-N 1 0 261.394 2.394 10 0 CEAERO CC[NH2+]Cc1sc(N(CC)CC)nc1COC ZINC000082447094 178025845 /nfs/dbraw/zinc/02/58/45/178025845.db2.gz HCIBCUCUGKHRKG-UHFFFAOYSA-N 1 0 257.403 2.245 10 0 CEAERO CN(C)[C@]1(C[NH3+])CCc2cc(Br)ccc2C1 ZINC000082491450 178058854 /nfs/dbraw/zinc/05/88/54/178058854.db2.gz XQEQOYJTNVCOBU-CYBMUJFWSA-N 1 0 283.213 2.197 10 0 CEAERO CCN(c1ccc(Br)cn1)[C@H]1CCC[NH2+]C1 ZINC000082501118 178065818 /nfs/dbraw/zinc/06/58/18/178065818.db2.gz XDZYNSDIVVMBRC-NSHDSACASA-N 1 0 284.201 2.422 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1ccncn1)C(F)(F)F ZINC000082535224 178089039 /nfs/dbraw/zinc/08/90/39/178089039.db2.gz UWOPQFRHPSCVAR-SVRRBLITSA-N 1 0 251.277 2.237 10 0 CEAERO COCCC[N@@H+]1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121173046 365530640 /nfs/dbraw/zinc/53/06/40/365530640.db2.gz CTZZRTCLARQEKR-BXUZGUMPSA-N 1 0 271.307 2.109 10 0 CEAERO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)c1cc(O)cc(F)c1 ZINC000095800756 185028024 /nfs/dbraw/zinc/02/80/24/185028024.db2.gz TXIKOZLIPPFWSH-GJZGRUSLSA-N 1 0 261.296 2.135 10 0 CEAERO [NH3+]CCc1ccc(-n2cc(Br)cn2)c(F)c1 ZINC000082612148 178125917 /nfs/dbraw/zinc/12/59/17/178125917.db2.gz XWDOXJMNPZKBCP-UHFFFAOYSA-N 1 0 284.132 2.275 10 0 CEAERO O[C@@H](C[NH+]1CCCCC1)N1C=C(c2ccccc2)OC1 ZINC000095934618 185033486 /nfs/dbraw/zinc/03/34/86/185033486.db2.gz IXSSPBTZDQURHB-INIZCTEOSA-N 1 0 274.364 2.079 10 0 CEAERO Cc1nnc(Sc2cc(Br)ccc2C[NH3+])[nH]1 ZINC000082616390 178126598 /nfs/dbraw/zinc/12/65/98/178126598.db2.gz GBHJSRLXVBCZMV-UHFFFAOYSA-N 1 0 299.197 2.486 10 0 CEAERO C[C@H]1C[C@H]1CN(C)c1ncc(Br)cc1C[NH3+] ZINC000082650288 178141483 /nfs/dbraw/zinc/14/14/83/178141483.db2.gz OZFYHFJXKLJYGA-WPRPVWTQSA-N 1 0 284.201 2.395 10 0 CEAERO [NH3+]Cc1ccccc1Oc1ncc(Br)cn1 ZINC000082662666 178151458 /nfs/dbraw/zinc/15/14/58/178151458.db2.gz GPPSTETVOLTPBN-UHFFFAOYSA-N 1 0 280.125 2.490 10 0 CEAERO C[NH2+]C[C@@H](O)COc1ccc(Br)cc1Cl ZINC000034938924 361797755 /nfs/dbraw/zinc/79/77/55/361797755.db2.gz KOLIBXBFZUTYQO-MRVPVSSYSA-N 1 0 294.576 2.062 10 0 CEAERO CO[C@H]1C[NH2+][C@H](c2nc3cc(Cl)ccc3[nH]2)C1 ZINC000034939069 361799343 /nfs/dbraw/zinc/79/93/43/361799343.db2.gz BHUOJUTVIWWRLN-KCJUWKMLSA-N 1 0 251.717 2.266 10 0 CEAERO COc1ccc(CN2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1OC ZINC000082728993 178245568 /nfs/dbraw/zinc/24/55/68/178245568.db2.gz GNUVNPRIRGKHKQ-HUUCEWRRSA-N 1 0 290.407 2.278 10 0 CEAERO C[C@@H](C(=O)OC(C)(C)C)N(C)CC[C@@H]1CCC[N@@H+]1C ZINC000124947071 187162415 /nfs/dbraw/zinc/16/24/15/187162415.db2.gz IFBJSEARPCQUQG-STQMWFEESA-N 1 0 270.417 2.133 10 0 CEAERO CCCCO[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])CCC)C1(C)C ZINC000121788295 365614583 /nfs/dbraw/zinc/61/45/83/365614583.db2.gz XTPGERIELNYMSV-JHJVBQTASA-N 1 0 270.417 2.214 10 0 CEAERO C[C@@H]([NH3+])C[C@H](C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000082798376 178301536 /nfs/dbraw/zinc/30/15/36/178301536.db2.gz VNQRTRGABAUACH-BDAKNGLRSA-N 1 0 261.774 2.240 10 0 CEAERO C[C@@H]1CC(F)(F)CCN1C(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000638632913 370645488 /nfs/dbraw/zinc/64/54/88/370645488.db2.gz YPVHNUDIAZPSRC-OUAUKWLOSA-N 1 0 260.328 2.021 10 0 CEAERO C[C@@H](CC(N)=O)[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000124179964 365646994 /nfs/dbraw/zinc/64/69/94/365646994.db2.gz PLJJDNHJHNAOSX-JQWIXIFHSA-N 1 0 262.353 2.142 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1CNc1ncc(Br)cn1 ZINC000082991966 178333162 /nfs/dbraw/zinc/33/31/62/178333162.db2.gz DNZNYUXGBDCBHA-WPRPVWTQSA-N 1 0 285.189 2.169 10 0 CEAERO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccccc1N(C)C)CC2 ZINC000093944304 282127385 /nfs/dbraw/zinc/12/73/85/282127385.db2.gz JIWIPYBTWQMCHM-TZMCWYRMSA-N 1 0 299.422 2.318 10 0 CEAERO COc1ccc2oc(C[NH2+][C@@H]3CCc4ncnn4C3)cc2c1 ZINC000125140499 187171684 /nfs/dbraw/zinc/17/16/84/187171684.db2.gz VQVNUMNLKMUVEK-GFCCVEGCSA-N 1 0 298.346 2.138 10 0 CEAERO COCCc1noc(CC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC000096130836 185103630 /nfs/dbraw/zinc/10/36/30/185103630.db2.gz DDBDQPQLZNIWCP-UONOGXRCSA-N 1 0 293.411 2.456 10 0 CEAERO C[C@H](CC[S@](C)=O)[NH2+]Cc1ccnc2ccccc12 ZINC000125520647 365678521 /nfs/dbraw/zinc/67/85/21/365678521.db2.gz JORIYNLVHOMPEO-CWTRNNRKSA-N 1 0 276.405 2.482 10 0 CEAERO CC(C)[C@H]1CN(CCc2ccc(F)cc2)CC[NH2+]1 ZINC000083383532 178386275 /nfs/dbraw/zinc/38/62/75/178386275.db2.gz DJDSAWUFBCOXIK-OAHLLOKOSA-N 1 0 250.361 2.298 10 0 CEAERO CC(C)n1nnnc1CN(C)[C@H](C)Cc1ccc(O)cc1 ZINC000125783212 365685747 /nfs/dbraw/zinc/68/57/47/365685747.db2.gz ZZHRUMNDGWVHIB-GFCCVEGCSA-N 1 0 289.383 2.023 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1N1CCc2ccccc2C1=O ZINC000096601834 185107716 /nfs/dbraw/zinc/10/77/16/185107716.db2.gz LRAMPTODEPFASQ-DZGCQCFKSA-N 1 0 258.365 2.202 10 0 CEAERO [NH3+]CCSCC(=O)Nc1cccc2c(O)cccc12 ZINC000096751668 185111286 /nfs/dbraw/zinc/11/12/86/185111286.db2.gz MDZYZUOEWDFQBE-UHFFFAOYSA-N 1 0 276.361 2.176 10 0 CEAERO CSc1cccc(NC(=O)CSCC[NH3+])c1 ZINC000096751721 185111602 /nfs/dbraw/zinc/11/16/02/185111602.db2.gz HUIFFZPJDLXDHK-UHFFFAOYSA-N 1 0 256.396 2.039 10 0 CEAERO CCN[C@](C)(C[C@H](C)[N@H+](CCC(C)C)C1CC1)C(N)=O ZINC000096818491 185115753 /nfs/dbraw/zinc/11/57/53/185115753.db2.gz PADNYABCJTVRQM-XJKSGUPXSA-N 1 0 283.460 2.129 10 0 CEAERO CC[C@@H]1CN(CC(=O)N(CC)C2=CCCC2)[C@@H](CC)C[NH2+]1 ZINC000096866109 185118001 /nfs/dbraw/zinc/11/80/01/185118001.db2.gz AYRISSFDPCZGDF-CABCVRRESA-N 1 0 293.455 2.365 10 0 CEAERO O=S1(=O)CCC([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000037142173 361898799 /nfs/dbraw/zinc/89/87/99/361898799.db2.gz GUGOWZBNIYLNBP-GXSJLCMTSA-N 1 0 299.358 2.274 10 0 CEAERO C[C@H]1C[C@]2(C[N@@H+]1C)C[C@H](O)c1ccc(F)cc1O2 ZINC000097005825 185150781 /nfs/dbraw/zinc/15/07/81/185150781.db2.gz DPBKPPQLSFUTSC-DUFXMDAXSA-N 1 0 251.301 2.104 10 0 CEAERO CC[C@H](CO)[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000037888075 361958834 /nfs/dbraw/zinc/95/88/34/361958834.db2.gz AHTUSAHGFJVAEC-HZPDHXFCSA-N 1 0 259.349 2.234 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCC(F)(F)C[C@@H]1C ZINC000638632912 370645960 /nfs/dbraw/zinc/64/59/60/370645960.db2.gz YPVHNUDIAZPSRC-HBNTYKKESA-N 1 0 260.328 2.021 10 0 CEAERO O=C1C(C[NH2+]Cc2ccccc2)=CC2=CC=C[C@@H]3CCN1[C@@H]23 ZINC000039287457 361987715 /nfs/dbraw/zinc/98/77/15/361987715.db2.gz XBTUVTRHDJGMFX-CRAIPNDOSA-N 1 0 292.382 2.430 10 0 CEAERO CCn1c2ccccc2cc(C[NH2+]C[C@@H]2CCCO2)c1=O ZINC000039287554 361987830 /nfs/dbraw/zinc/98/78/30/361987830.db2.gz CZCITERFAWWJER-HNNXBMFYSA-N 1 0 286.375 2.290 10 0 CEAERO C[C@@H]1CN(C(=O)c2cscc2C(F)(F)F)C[C@@H]1[NH3+] ZINC000621663983 349655053 /nfs/dbraw/zinc/65/50/53/349655053.db2.gz HLCKXBAIHSTWRX-MUWHJKNJSA-N 1 0 278.299 2.186 10 0 CEAERO C[C@@H](C[NH2+][C@@H]1CCc2ccc(F)cc21)N1CCOCC1 ZINC000123402010 539176222 /nfs/dbraw/zinc/17/62/22/539176222.db2.gz TZLNRMMHZGTVDZ-BLLLJJGKSA-N 1 0 278.371 2.123 10 0 CEAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CCC(C)(C)C1 ZINC000173675234 282181501 /nfs/dbraw/zinc/18/15/01/282181501.db2.gz DPTFWWUYQSLJNG-HNNXBMFYSA-N 1 0 274.408 2.418 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](C(=O)N[C@@H](C)c2ccc(C(C)C)cc2)C1 ZINC000226689988 539186588 /nfs/dbraw/zinc/18/65/88/539186588.db2.gz SJZJNEUIJYWDBF-APHBMKBZSA-N 1 0 290.407 2.364 10 0 CEAERO Cc1c2ccc(Br)cc2nc(N)c1C[NH3+] ZINC000725244141 539191199 /nfs/dbraw/zinc/19/11/99/539191199.db2.gz IWCRYVBDTVVZBA-UHFFFAOYSA-N 1 0 266.142 2.347 10 0 CEAERO CC[C@]1(N)C[NH2+]C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000725262792 539211651 /nfs/dbraw/zinc/21/16/51/539211651.db2.gz QVGLTCVDVABRDZ-NEPJUHHUSA-N 1 0 258.287 2.500 10 0 CEAERO O=C(CC1CC1)N1CCC[C@H]([C@@]23CC[C@H]2CC[NH2+]3)C1 ZINC000725263580 539212240 /nfs/dbraw/zinc/21/22/40/539212240.db2.gz RXQGGVDMEBITLR-OFQRWUPVSA-N 1 0 262.397 2.167 10 0 CEAERO CC(C)(C)C(=O)N1CC[C@@H]2CC[C@@]21[C@H]1CCC[NH2+]C1 ZINC000725263534 539212336 /nfs/dbraw/zinc/21/23/36/539212336.db2.gz OISRSRPRFPSRBJ-XEZPLFJOSA-N 1 0 264.413 2.413 10 0 CEAERO CC(C)CNC(=O)N1CC[C@@H]2CC[C@@]21[C@@H]1CCC[NH2+]C1 ZINC000725263543 539212373 /nfs/dbraw/zinc/21/23/73/539212373.db2.gz OQELDYWLMQCJNU-LZWOXQAQSA-N 1 0 279.428 2.206 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)C1 ZINC000092052842 539229459 /nfs/dbraw/zinc/22/94/59/539229459.db2.gz XJKXRNXIGQEIEA-BYNSBNAKSA-N 1 0 254.418 2.121 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@H]2CC(C)(C)C[C@H]2C)C1 ZINC000300131090 539248599 /nfs/dbraw/zinc/24/85/99/539248599.db2.gz FCQDIFMXCLSPNO-MCIONIFRSA-N 1 0 254.418 2.121 10 0 CEAERO C[C@H](NC(=O)CC1([NH3+])CC1)c1ccc(F)cc1F ZINC000398088587 539261140 /nfs/dbraw/zinc/26/11/40/539261140.db2.gz NETSRIVCCCKETR-QMMMGPOBSA-N 1 0 254.280 2.023 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccc(F)nc2)C1 ZINC000126230779 187226153 /nfs/dbraw/zinc/22/61/53/187226153.db2.gz BGEBWGNLUCFVRD-PWSUYJOCSA-N 1 0 280.347 2.071 10 0 CEAERO C[NH2+]Cc1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000041157744 362023016 /nfs/dbraw/zinc/02/30/16/362023016.db2.gz YAHGXWSGTMOEEX-UHFFFAOYSA-N 1 0 266.300 2.207 10 0 CEAERO CCc1ncc(C[NH2+][C@@H]2CCCC[C@H]2CO)s1 ZINC000084045710 539282253 /nfs/dbraw/zinc/28/22/53/539282253.db2.gz CQHOFMYLOXLEJB-CMPLNLGQSA-N 1 0 254.399 2.346 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NCc1cn2ccccc2n1 ZINC000042323088 362083149 /nfs/dbraw/zinc/08/31/49/362083149.db2.gz BGYJPMAEYLSULU-CQSZACIVSA-N 1 0 274.412 2.400 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccccc1Br)N(C)C ZINC000043090899 362135452 /nfs/dbraw/zinc/13/54/52/362135452.db2.gz DOOMHBYHWTWAAE-LDYMZIIASA-N 1 0 257.175 2.399 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)c1c(C)noc1C ZINC000245432350 539301092 /nfs/dbraw/zinc/30/10/92/539301092.db2.gz ODMVVJWMYORQIQ-BXUZGUMPSA-N 1 0 293.411 2.338 10 0 CEAERO COc1cccc(C(=O)OC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000013586299 343367342 /nfs/dbraw/zinc/36/73/42/343367342.db2.gz WMUWYYDGGJNLQQ-NNQSOWQGSA-N 1 0 275.348 2.477 10 0 CEAERO [NH3+]CCCOc1cccc(C(=O)N2CCCCC2)c1 ZINC000020229083 343375650 /nfs/dbraw/zinc/37/56/50/343375650.db2.gz FYLXUZOLBFWTAJ-UHFFFAOYSA-N 1 0 262.353 2.040 10 0 CEAERO CN1C(=O)[C@@H](C[NH+]2CCCCC2)C[C@@H]1C#Cc1ccccc1 ZINC000035823657 343422762 /nfs/dbraw/zinc/42/27/62/343422762.db2.gz VKXYLXZLODSKCD-MSOLQXFVSA-N 1 0 296.414 2.371 10 0 CEAERO C[NH+](C)[C@H]1CCCC[C@H]1OC(=O)c1ccc(N)cc1O ZINC000033875451 343418447 /nfs/dbraw/zinc/41/84/47/343418447.db2.gz DYZKHUPHFRSPBJ-GXTWGEPZSA-N 1 0 278.352 2.004 10 0 CEAERO COc1ccc2c(c1OC)CCC[C@@H]2C1=[NH+]CCN1 ZINC000034142990 343418929 /nfs/dbraw/zinc/41/89/29/343418929.db2.gz QEGIONMYWKDEML-LBPRGKRZSA-N 1 0 260.337 2.125 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)C2(c3cccc(F)c3)CCC2)C1 ZINC000170868047 282261073 /nfs/dbraw/zinc/26/10/73/282261073.db2.gz NWHWPBORHHLXOD-HNNXBMFYSA-N 1 0 290.382 2.410 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)C(C)(C)c2ccccc2F)C1 ZINC000170868107 282261113 /nfs/dbraw/zinc/26/11/13/282261113.db2.gz XNAPYJDCDKXTMJ-LBPRGKRZSA-N 1 0 278.371 2.266 10 0 CEAERO COc1cc(OC)c(OC)cc1C[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000037164492 343426202 /nfs/dbraw/zinc/42/62/02/343426202.db2.gz DMWVXVNQGQQWRM-CHWSQXEVSA-N 1 0 295.379 2.106 10 0 CEAERO [NH3+]C1CCC(C(=O)NCCSc2ccccc2)CC1 ZINC000037904398 343432532 /nfs/dbraw/zinc/43/25/32/343432532.db2.gz YNGSHSHNQLEHTR-UHFFFAOYSA-N 1 0 278.421 2.412 10 0 CEAERO CCOCCCC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000047061345 362196880 /nfs/dbraw/zinc/19/68/80/362196880.db2.gz UCCLLWAXWRVXMS-HNNXBMFYSA-N 1 0 278.396 2.222 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@H](C)c2cccc(OC)c2)C1 ZINC000148280301 539315150 /nfs/dbraw/zinc/31/51/50/539315150.db2.gz GGTOPGJIBPSWIO-CJNGLKHVSA-N 1 0 278.396 2.067 10 0 CEAERO COc1ccc(C(=O)NCCCC[NH+]2CCCC2)cc1 ZINC000044456340 343472038 /nfs/dbraw/zinc/47/20/38/343472038.db2.gz CRUJLQFHWIPDJJ-UHFFFAOYSA-N 1 0 276.380 2.301 10 0 CEAERO CS[C@H]1CCC[C@H](NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000601971739 346947052 /nfs/dbraw/zinc/94/70/52/346947052.db2.gz DZTSCAONCRDGBQ-ABHRYQDASA-N 1 0 282.453 2.167 10 0 CEAERO COC1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000053906961 343581820 /nfs/dbraw/zinc/58/18/20/343581820.db2.gz AZLIFMOFIHWPEH-KBPBESRZSA-N 1 0 290.407 2.363 10 0 CEAERO C[C@H](C[NH3+])[C@@H](O)c1cc(F)ccc1Br ZINC000083563648 178581341 /nfs/dbraw/zinc/58/13/41/178581341.db2.gz LRGBYTRXCFKLLZ-LHLIQPBNSA-N 1 0 262.122 2.216 10 0 CEAERO CC[C@H](C[NH3+])[C@H](O)c1ccc(OC)c(Br)c1 ZINC000083564046 178581351 /nfs/dbraw/zinc/58/13/51/178581351.db2.gz HNWMBMTXTPMNBC-PELKAZGASA-N 1 0 288.185 2.476 10 0 CEAERO C[NH+](C)C[C@@H]1CN(Cc2c(F)cccc2Cl)CCO1 ZINC000128142466 187353944 /nfs/dbraw/zinc/35/39/44/187353944.db2.gz PXMLMXMWFAFXEU-LLVKDONJSA-N 1 0 286.778 2.242 10 0 CEAERO CCC(O)(CC)C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000253214380 282311011 /nfs/dbraw/zinc/31/10/11/282311011.db2.gz CGNDHEOYCVSKGS-MCIONIFRSA-N 1 0 255.402 2.163 10 0 CEAERO CSC[C@@H]1CCC[N@@H+]1C[C@H](O)COCc1ccccc1 ZINC000128168951 187355431 /nfs/dbraw/zinc/35/54/31/187355431.db2.gz FNYFMQDIYSPDOL-HOTGVXAUSA-N 1 0 295.448 2.392 10 0 CEAERO Cc1cccc(CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)n1 ZINC000106908998 344259600 /nfs/dbraw/zinc/25/96/00/344259600.db2.gz CIFSYFIRPVUYSK-KRWDZBQOSA-N 1 0 297.402 2.179 10 0 CEAERO O[C@@H](C[NH2+]CCOC1CCCCC1)COCc1ccco1 ZINC000111638583 344271273 /nfs/dbraw/zinc/27/12/73/344271273.db2.gz UWFKEUCNGVFKIP-AWEZNQCLSA-N 1 0 297.395 2.096 10 0 CEAERO CN(C[C@@H]([NH3+])Cc1ccccc1)C(=O)OC(C)(C)C ZINC000116445639 344286789 /nfs/dbraw/zinc/28/67/89/344286789.db2.gz RJMUEHMBOAVHHB-ZDUSSCGKSA-N 1 0 264.369 2.423 10 0 CEAERO COC(=O)c1csc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000602472191 347046734 /nfs/dbraw/zinc/04/67/34/347046734.db2.gz OXUXDXZEYHBUKM-WCQYABFASA-N 1 0 294.420 2.203 10 0 CEAERO [NH3+]CCc1ncc(Br)cc1Br ZINC000129892256 344347388 /nfs/dbraw/zinc/34/73/88/344347388.db2.gz MVBFPFGAVZATFT-UHFFFAOYSA-N 1 0 279.963 2.108 10 0 CEAERO COc1cc(NC[C@H]2CCC[NH2+]C2)ccc1NC(C)=O ZINC000130895941 344355161 /nfs/dbraw/zinc/35/51/61/344355161.db2.gz BUTDNFWKJOCDNJ-LBPRGKRZSA-N 1 0 277.368 2.065 10 0 CEAERO COc1cc([C@H](C)[NH2+][C@@H](C)[C@H](C)CO)cc(OC)c1OC ZINC000131736140 344359603 /nfs/dbraw/zinc/35/96/03/344359603.db2.gz SSYPHWUOWLFSEN-WOPDTQHZSA-N 1 0 297.395 2.380 10 0 CEAERO [NH2+]=C1NC[C@H](c2cncs2)N1Cc1ccccc1 ZINC000132177989 344361988 /nfs/dbraw/zinc/36/19/88/344361988.db2.gz RGXZNPSJBZZPBE-LLVKDONJSA-N 1 0 258.350 2.015 10 0 CEAERO CC(C)c1nsc(N(C)CC[C@@H]([NH3+])C(C)C)n1 ZINC000133606347 344369640 /nfs/dbraw/zinc/36/96/40/344369640.db2.gz RPOKSJMVIRHCPN-SNVBAGLBSA-N 1 0 256.419 2.471 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]Cc2cccc(C)c2C)C1 ZINC000134437228 344373946 /nfs/dbraw/zinc/37/39/46/344373946.db2.gz ASEGTQYJXUGLHM-INIZCTEOSA-N 1 0 262.397 2.114 10 0 CEAERO OC1CC(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000134854525 344378128 /nfs/dbraw/zinc/37/81/28/344378128.db2.gz XJABKKABMAEGTJ-JRZRUSQNSA-N 1 0 251.757 2.168 10 0 CEAERO CCN1CCO[C@H](C[NH2+]Cc2ccc(OC)c(Cl)c2)C1 ZINC000135178953 344380468 /nfs/dbraw/zinc/38/04/68/344380468.db2.gz QYCREIKIQNSTTN-CYBMUJFWSA-N 1 0 298.814 2.159 10 0 CEAERO C[NH2+]CC(C)(C)c1ccnn1C(=O)OC(C)(C)C ZINC000141439375 344400995 /nfs/dbraw/zinc/40/09/95/344400995.db2.gz KQDNJZUHXVWKGP-UHFFFAOYSA-N 1 0 253.346 2.163 10 0 CEAERO C[C@@]1(c2cc(N)ccc2F)C[C@@H](C(F)(F)F)OC(=[NH2+])N1 ZINC000141975734 344401966 /nfs/dbraw/zinc/40/19/66/344401966.db2.gz MYBPEXJEJAEBJI-ONGXEEELSA-N 1 0 291.248 2.289 10 0 CEAERO CCOC(=O)[C@@H]1CC2(CC[NH2+]CC2)c2ccccc21 ZINC000142800511 344404325 /nfs/dbraw/zinc/40/43/25/344404325.db2.gz DUYYNZFTMIPRJL-CYBMUJFWSA-N 1 0 259.349 2.358 10 0 CEAERO CNC(=O)c1cc(Oc2ccc(C[NH3+])cc2C)ccn1 ZINC000146278749 344410058 /nfs/dbraw/zinc/41/00/58/344410058.db2.gz VKVUSHGTJCYYGX-UHFFFAOYSA-N 1 0 271.320 2.001 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)NCCC2=CCCCC2)C1 ZINC000170861330 344492016 /nfs/dbraw/zinc/49/20/16/344492016.db2.gz FJZCLYSDBOBHIP-CQSZACIVSA-N 1 0 265.401 2.222 10 0 CEAERO C[C@@H]1CC[C@H](C[NH2+]C[C@@H](O)COCc2ccco2)C1 ZINC000230419013 344572419 /nfs/dbraw/zinc/57/24/19/344572419.db2.gz ATGQSKUGROXLEW-HZSPNIEDSA-N 1 0 267.369 2.183 10 0 CEAERO C[C@H]([NH2+]C[C@H](O)COC(C)(C)C)c1ccc2c(c1)OCO2 ZINC000192477531 344517232 /nfs/dbraw/zinc/51/72/32/344517232.db2.gz KCMGXPGXHXMPOQ-AAEUAGOBSA-N 1 0 295.379 2.242 10 0 CEAERO C[C@@H]1C[N@@H+](C[C@@H](O)COCc2ccccc2)C[C@H](C)S1 ZINC000226673106 344550921 /nfs/dbraw/zinc/55/09/21/344550921.db2.gz GLDUWTVWYYESIM-IJEWVQPXSA-N 1 0 295.448 2.390 10 0 CEAERO [NH3+]C[C@H]1c2ccccc2CCN1c1ncc(Cl)cn1 ZINC000227724129 344556470 /nfs/dbraw/zinc/55/64/70/344556470.db2.gz LNJLMBMGGXXUCY-ZDUSSCGKSA-N 1 0 274.755 2.193 10 0 CEAERO CCCCOC[C@@H](O)C[NH2+][C@H]1CCc2ccccc2C1 ZINC000227891856 344557405 /nfs/dbraw/zinc/55/74/05/344557405.db2.gz MCJFANAGPDKQAZ-IRXDYDNUSA-N 1 0 277.408 2.311 10 0 CEAERO C[C@H](C[C@H](C)[NH3+])Nc1nc(C(F)(F)F)ns1 ZINC000228812030 344563506 /nfs/dbraw/zinc/56/35/06/344563506.db2.gz VLLJXWWILTYIJO-CRCLSJGQSA-N 1 0 254.281 2.095 10 0 CEAERO C[C@H](C[NH3+])[C@H](C)Nc1ccncc1Br ZINC000228820722 344564078 /nfs/dbraw/zinc/56/40/78/344564078.db2.gz PLSDORCGEIBZHK-SFYZADRCSA-N 1 0 258.163 2.239 10 0 CEAERO C[C@H]([NH3+])C[C@@H](O)c1ccc(F)cc1Br ZINC000235500887 344591675 /nfs/dbraw/zinc/59/16/75/344591675.db2.gz OFOQRQLFRWSXJK-QUBYGPBYSA-N 1 0 262.122 2.359 10 0 CEAERO Cn1ncc(Br)c1[C@@H]([NH3+])[C@H]1CC1(C)C ZINC000236085086 344594285 /nfs/dbraw/zinc/59/42/85/344594285.db2.gz VWXQWLCDECFFOX-SVRRBLITSA-N 1 0 258.163 2.229 10 0 CEAERO CCOC(=O)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000234009054 344582765 /nfs/dbraw/zinc/58/27/65/344582765.db2.gz ZYNLONXISMFRJR-WCQYABFASA-N 1 0 283.343 2.099 10 0 CEAERO C[N@H+](Cc1ccc2ccccc2n1)CC1(O)CCOCC1 ZINC000162243437 529991670 /nfs/dbraw/zinc/99/16/70/529991670.db2.gz DRBLRKCMYRQVGW-UHFFFAOYSA-N 1 0 286.375 2.208 10 0 CEAERO C[C@@H](C[NH3+])Nc1c(F)cc(Br)cc1F ZINC000235103446 344589166 /nfs/dbraw/zinc/58/91/66/344589166.db2.gz YTPAADGJRWZHDV-YFKPBYRVSA-N 1 0 265.101 2.486 10 0 CEAERO CC[C@@H]([NH2+][C@@H]1CCCNC1=O)c1ccc(F)cc1 ZINC000050394472 362418314 /nfs/dbraw/zinc/41/83/14/362418314.db2.gz QNQDEOMDCRPBSB-CHWSQXEVSA-N 1 0 250.317 2.145 10 0 CEAERO CSCCCCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246666135 344617563 /nfs/dbraw/zinc/61/75/63/344617563.db2.gz BUPJSOFCTAVOPM-OLZOCXBDSA-N 1 0 285.457 2.008 10 0 CEAERO [NH3+]Cc1c(Br)ccnc1OC(F)(F)F ZINC000238589555 344606980 /nfs/dbraw/zinc/60/69/80/344606980.db2.gz UYVGKLGKELIVKO-UHFFFAOYSA-N 1 0 271.036 2.201 10 0 CEAERO [NH3+][C@@H](CF)c1ccccc1I ZINC000238575259 344607211 /nfs/dbraw/zinc/60/72/11/344607211.db2.gz UCDHVGQEIBTLMN-QMMMGPOBSA-N 1 0 265.069 2.261 10 0 CEAERO CCS[C@@H]1CCC[C@H](NC(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000262616467 344654968 /nfs/dbraw/zinc/65/49/68/344654968.db2.gz GOZSRJLMVHMXTP-QNWHQSFQSA-N 1 0 270.442 2.294 10 0 CEAERO CCSCC[C@H](C)N(C)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000262635006 344655353 /nfs/dbraw/zinc/65/53/53/344655353.db2.gz MNHYGMFHEDHZAO-SRVKXCTJSA-N 1 0 258.431 2.104 10 0 CEAERO C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000262650188 344655401 /nfs/dbraw/zinc/65/54/01/344655401.db2.gz WQSWJKMXUGHIIT-XQHKEYJVSA-N 1 0 252.402 2.445 10 0 CEAERO Cc1cnc(NC(=O)[C@H]2CC[C@H](C[NH3+])CC2)s1 ZINC000252895419 344642299 /nfs/dbraw/zinc/64/22/99/344642299.db2.gz YRCIJZNXTLPLGG-MGCOHNPYSA-N 1 0 253.371 2.155 10 0 CEAERO c1nsc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000307144856 344720390 /nfs/dbraw/zinc/72/03/90/344720390.db2.gz GFLPSSMUNUXKBZ-LBPRGKRZSA-N 1 0 260.366 2.225 10 0 CEAERO C[C@@H](Nc1ccccc1I)[C@H](C)[NH3+] ZINC000307437604 344722836 /nfs/dbraw/zinc/72/28/36/344722836.db2.gz UVFIXGZDAPFZSY-JGVFFNPUSA-N 1 0 290.148 2.439 10 0 CEAERO CC(C)(C)c1ccnc(N2CCC(CC[NH3+])CC2)n1 ZINC000311697441 344735139 /nfs/dbraw/zinc/73/51/39/344735139.db2.gz LKWYWOUJFZSEBF-UHFFFAOYSA-N 1 0 262.401 2.339 10 0 CEAERO CC(C)(C)[NH2+]Cc1cnc(N)c(Br)c1 ZINC000306250719 344712700 /nfs/dbraw/zinc/71/27/00/344712700.db2.gz YZOBWDLCIUXUEN-UHFFFAOYSA-N 1 0 258.163 2.314 10 0 CEAERO O[C@H](c1sccc1Br)[C@@H]1C=CC[NH2+]1 ZINC000306254320 344712720 /nfs/dbraw/zinc/71/27/20/344712720.db2.gz OAHHPMIISHSMLY-YUMQZZPRSA-N 1 0 260.156 2.072 10 0 CEAERO Cn1nc(C[NH2+]C[C@H](O)C(C)(C)C)c2ccccc21 ZINC000324255310 344754257 /nfs/dbraw/zinc/75/42/57/344754257.db2.gz FQRBBHITIJBTCT-AWEZNQCLSA-N 1 0 261.369 2.070 10 0 CEAERO C=COCCCNC(=O)CC[C@H](CCC)CC[NH3+] ZINC000083710052 178722124 /nfs/dbraw/zinc/72/21/24/178722124.db2.gz WTGBKMMFSOXIKZ-ZDUSSCGKSA-N 1 0 256.390 2.198 10 0 CEAERO C[NH2+]Cc1ccc(OCOC)c(Br)c1 ZINC000083748780 178741582 /nfs/dbraw/zinc/74/15/82/178741582.db2.gz VOPTVJBZTZWLDG-UHFFFAOYSA-N 1 0 260.131 2.151 10 0 CEAERO C[C@H]([NH3+])CC(=O)Nc1c(F)cc(Br)cc1F ZINC000083848035 178753240 /nfs/dbraw/zinc/75/32/40/178753240.db2.gz RPJQCWCWGOXBFM-YFKPBYRVSA-N 1 0 293.111 2.403 10 0 CEAERO C[C@H]1CC[C@@H](C(=O)NCCC[N@H+](C)C2CCCCC2)O1 ZINC000128243865 187359359 /nfs/dbraw/zinc/35/93/59/187359359.db2.gz RPPIZLCZKOQODV-ZFWWWQNUSA-N 1 0 282.428 2.325 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCC(C)(C)OC ZINC000336784581 365802762 /nfs/dbraw/zinc/80/27/62/365802762.db2.gz RWWGGCIXLROCHX-KGLIPLIRSA-N 1 0 254.418 2.360 10 0 CEAERO CCC[NH2+]CCC[S@@](=O)c1ccc(F)c(F)c1 ZINC000084032629 178773335 /nfs/dbraw/zinc/77/33/35/178773335.db2.gz UFLFOZHNDBBGPS-KRWDZBQOSA-N 1 0 261.337 2.462 10 0 CEAERO CC[NH2+][C@@H](C)CC[S@](=O)c1cccc(OC)c1 ZINC000084003441 178770244 /nfs/dbraw/zinc/77/02/44/178770244.db2.gz QPESMGNSRKYOGM-APPDUMDISA-N 1 0 255.383 2.191 10 0 CEAERO CCCC[S@](=O)C[C@@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000084038512 178776574 /nfs/dbraw/zinc/77/65/74/178776574.db2.gz DUFKNFUDANPSGB-ZUOKHONESA-N 1 0 297.420 2.397 10 0 CEAERO CCC[C@](C[NH3+])(c1cccc(OC)c1)[C@H](C)CO ZINC000584597055 344961189 /nfs/dbraw/zinc/96/11/89/344961189.db2.gz WCMHOXUXPRULGH-IUODEOHRSA-N 1 0 251.370 2.320 10 0 CEAERO C[NH2+]CCN[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000584594865 344961217 /nfs/dbraw/zinc/96/12/17/344961217.db2.gz CVUASGOPEMCRMR-DLBZAZTESA-N 1 0 270.376 2.270 10 0 CEAERO Oc1ccc(-c2nc3cc(C4=[NH+]CCN4)ccc3[nH]2)cc1 ZINC000584645624 344972563 /nfs/dbraw/zinc/97/25/63/344972563.db2.gz ARSNWZHNSKBMQJ-UHFFFAOYSA-N 1 0 278.315 2.285 10 0 CEAERO CC[NH2+]CCCc1nnc(CC(F)(F)F)s1 ZINC000084118140 178795578 /nfs/dbraw/zinc/79/55/78/178795578.db2.gz ZNZLGCKORDCTIP-UHFFFAOYSA-N 1 0 253.293 2.185 10 0 CEAERO OCCC[C@H]1CCC[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000127348400 187298176 /nfs/dbraw/zinc/29/81/76/187298176.db2.gz HVYIIZXMWUAPLG-CQSZACIVSA-N 1 0 259.353 2.300 10 0 CEAERO [NH3+]C1(CC(=O)N2CCc3ncccc3C2)CCCCC1 ZINC000084168723 178812996 /nfs/dbraw/zinc/81/29/96/178812996.db2.gz SEYSAAOAFCQICU-UHFFFAOYSA-N 1 0 273.380 2.018 10 0 CEAERO CCOc1cc(NC(=O)C[C@H]2CCC[NH2+]C2)ccc1OC ZINC000054307402 362526194 /nfs/dbraw/zinc/52/61/94/362526194.db2.gz ARNMELNBFANMEC-GFCCVEGCSA-N 1 0 292.379 2.422 10 0 CEAERO c1ccc(OCc2noc([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000054436121 362535050 /nfs/dbraw/zinc/53/50/50/362535050.db2.gz TVEZPDWDZBCJCK-NSHDSACASA-N 1 0 259.309 2.116 10 0 CEAERO CCC[C@H]1CC[C@@H](C[NH3+])[C@H](S(=O)(=O)C(C)C)C1 ZINC000084271674 178838241 /nfs/dbraw/zinc/83/82/41/178838241.db2.gz JPPPVPGSDSCGPZ-RWMBFGLXSA-N 1 0 261.431 2.353 10 0 CEAERO Cc1ccccc1CS(=O)(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000084272289 178839070 /nfs/dbraw/zinc/83/90/70/178839070.db2.gz CBCXPLCUSJGMCC-HIFRSBDPSA-N 1 0 281.421 2.427 10 0 CEAERO [NH3+][C@@H]1CC[C@H](c2nc(Cc3ccccc3F)no2)C1 ZINC000097068034 185521380 /nfs/dbraw/zinc/52/13/80/185521380.db2.gz JCNBCOOCRUMDJY-WDEREUQCSA-N 1 0 261.300 2.394 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1S(=O)(=O)c1ccc(F)cc1 ZINC000084268065 178835171 /nfs/dbraw/zinc/83/51/71/178835171.db2.gz RBUBJBYQJTVHNY-GWCFXTLKSA-N 1 0 271.357 2.117 10 0 CEAERO CCC[C@H](C)NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000591539186 345264077 /nfs/dbraw/zinc/26/40/77/345264077.db2.gz VADJDYWAWCYPPC-QWHCGFSZSA-N 1 0 253.390 2.055 10 0 CEAERO CN[C@@](C)(C[C@@H](C)[N@H+](CC1CC1)C(C)C)C(=O)OC ZINC000084349309 178862269 /nfs/dbraw/zinc/86/22/69/178862269.db2.gz BQRSKKGBDXULRF-DOMZBBRYSA-N 1 0 270.417 2.037 10 0 CEAERO Clc1cncnc1NCCC[NH2+]Cc1cccnc1 ZINC000097848143 232187381 /nfs/dbraw/zinc/18/73/81/232187381.db2.gz HDOVMSUDGCSNRZ-UHFFFAOYSA-N 1 0 277.759 2.117 10 0 CEAERO C[NH2+][C@H]1CC[C@@H](Sc2nnnn2C2CCCC2)C1 ZINC000084435442 178888283 /nfs/dbraw/zinc/88/82/83/178888283.db2.gz ILWDCJJFUQEAIH-GXSJLCMTSA-N 1 0 267.402 2.021 10 0 CEAERO CC[NH2+][C@@H](c1cc(C)nn1CC)C1CCOCC1 ZINC000097181017 185556181 /nfs/dbraw/zinc/55/61/81/185556181.db2.gz DRXJDNWUDLJUSS-CQSZACIVSA-N 1 0 251.374 2.289 10 0 CEAERO CC(C)c1ccc(S(=O)(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000084432947 178887129 /nfs/dbraw/zinc/88/71/29/178887129.db2.gz JWVMHHYPWMPZFG-OCCSQVGLSA-N 1 0 267.394 2.464 10 0 CEAERO C[NH2+][C@@H]1CC[C@@H](S(=O)(=O)c2ccc(C)cc2C)C1 ZINC000084433168 178887166 /nfs/dbraw/zinc/88/71/66/178887166.db2.gz RLZZCNUAJKRISJ-CHWSQXEVSA-N 1 0 267.394 2.218 10 0 CEAERO CCC[NH2+][C@@H]1CC[C@@H](S(=O)(=O)c2cccc(OC)c2)C1 ZINC000084433259 178887242 /nfs/dbraw/zinc/88/72/42/178887242.db2.gz DUGKVFYNEAWNRH-IUODEOHRSA-N 1 0 297.420 2.390 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2C[C@H](C)C[C@H](C)C2)C1 ZINC000057870260 362598078 /nfs/dbraw/zinc/59/80/78/362598078.db2.gz OBTJBWAWZPWGLD-HZSPNIEDSA-N 1 0 267.417 2.158 10 0 CEAERO CCC[NH2+][C@H](CCCOCC)CCCS(=O)(=O)CC ZINC000097218149 185567045 /nfs/dbraw/zinc/56/70/45/185567045.db2.gz LZBUUAJESNZLON-CQSZACIVSA-N 1 0 293.473 2.386 10 0 CEAERO CCOCCC[C@H](Cc1ccn(C(C)C)n1)[NH2+]C ZINC000097225376 185568037 /nfs/dbraw/zinc/56/80/37/185568037.db2.gz MSTMIQUFUBTURB-CYBMUJFWSA-N 1 0 253.390 2.411 10 0 CEAERO C[NH2+]CC[C@](C)(O)c1cc(Br)ccc1F ZINC000084666736 178911238 /nfs/dbraw/zinc/91/12/38/178911238.db2.gz SCUWPNBUJDKOFG-NSHDSACASA-N 1 0 276.149 2.405 10 0 CEAERO CCc1cc(C[C@@H](CCc2ccccn2)[NH2+]C)n(C)n1 ZINC000097277024 185576988 /nfs/dbraw/zinc/57/69/88/185576988.db2.gz MWXVFTKHZQONEU-OAHLLOKOSA-N 1 0 272.396 2.141 10 0 CEAERO CCn1nc(C)c(Cl)c1C[C@@H](COC(C)C)[NH2+]C ZINC000097276378 185577070 /nfs/dbraw/zinc/57/70/70/185577070.db2.gz CBEJSCCJBZUCNR-NSHDSACASA-N 1 0 273.808 2.420 10 0 CEAERO CCc1cc(C[C@@H]([NH3+])c2cccc(N(C)C)c2)n(C)n1 ZINC000097276825 185577095 /nfs/dbraw/zinc/57/70/95/185577095.db2.gz DLVPYYGNQXBCAU-MRXNPFEDSA-N 1 0 272.396 2.291 10 0 CEAERO Cc1nn(C)c(C)c1C[C@@H]([NH3+])[C@@H]1CCCc2cccnc21 ZINC000097303121 185581557 /nfs/dbraw/zinc/58/15/57/185581557.db2.gz RSJJKKQGBLXJOO-GOEBONIOSA-N 1 0 284.407 2.422 10 0 CEAERO c1ncn([C@H]2CCC[N@@H+](CCCOc3ccccc3)C2)n1 ZINC000171703497 232269466 /nfs/dbraw/zinc/26/94/66/232269466.db2.gz IITIDEAGCXTNKX-HNNXBMFYSA-N 1 0 286.379 2.384 10 0 CEAERO [NH3+][C@H](C[C@H]1CCS(=O)(=O)C1)c1ccc2cccnc2c1 ZINC000097344767 185587684 /nfs/dbraw/zinc/58/76/84/185587684.db2.gz OJPZKSIIBPHGKJ-BXUZGUMPSA-N 1 0 290.388 2.059 10 0 CEAERO CCn1c(C[NH2+][C@H]2CCO[C@@H]2C)nc2ccccc21 ZINC000149475706 539501471 /nfs/dbraw/zinc/50/14/71/539501471.db2.gz GJXRFUHGKYGIIM-NEPJUHHUSA-N 1 0 259.353 2.323 10 0 CEAERO CC[NH2+][C@@H](Cc1c(C)nn(C)c1Cl)c1ccnnc1 ZINC000097391693 185597409 /nfs/dbraw/zinc/59/74/09/185597409.db2.gz SVVGSBHFPPYOTM-LBPRGKRZSA-N 1 0 279.775 2.065 10 0 CEAERO COCCOc1ccccc1[C@H]([NH3+])COC(C)C ZINC000097415100 185598957 /nfs/dbraw/zinc/59/89/57/185598957.db2.gz OVHBUSMLCJOGSB-CYBMUJFWSA-N 1 0 253.342 2.137 10 0 CEAERO CC(C)([NH3+])CC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000084167384 539499595 /nfs/dbraw/zinc/49/95/95/539499595.db2.gz MHTFJRJFXCTAAK-UHFFFAOYSA-N 1 0 250.386 2.055 10 0 CEAERO CCC[NH2+]C[C@@H](O)Cc1cc(Br)ccc1F ZINC000084993105 178941330 /nfs/dbraw/zinc/94/13/30/178941330.db2.gz IVAFLHQDKDAOKO-NSHDSACASA-N 1 0 290.176 2.491 10 0 CEAERO CC[C@@H]([NH3+])[C@](C)(CC(=O)OC)c1cccc(OC)c1 ZINC000097432467 185602510 /nfs/dbraw/zinc/60/25/10/185602510.db2.gz OFPSTJNVQATNBY-UKRRQHHQSA-N 1 0 265.353 2.253 10 0 CEAERO COC(=O)C[C@](C)(c1ccc2c(c1)OCCO2)C(C)(C)[NH3+] ZINC000097433651 185603127 /nfs/dbraw/zinc/60/31/27/185603127.db2.gz DXLBDMCEWGKEGI-MRXNPFEDSA-N 1 0 293.363 2.016 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)CCO)CCO2 ZINC000097436434 185604006 /nfs/dbraw/zinc/60/40/06/185604006.db2.gz FELKUXDRYVJBND-BXUZGUMPSA-N 1 0 265.353 2.127 10 0 CEAERO CC(C)[N@H+](CC(N)=S)Cc1ccn(C2CCCC2)n1 ZINC000085175355 178962839 /nfs/dbraw/zinc/96/28/39/178962839.db2.gz OLXLKLNCOIXAFG-UHFFFAOYSA-N 1 0 280.441 2.495 10 0 CEAERO [NH3+][C@@H](C[C@H]1CCS(=O)(=O)C1)c1ccc(OC2CC2)cc1 ZINC000097454106 185609533 /nfs/dbraw/zinc/60/95/33/185609533.db2.gz BSJVVUYSVZYKQB-ABAIWWIYSA-N 1 0 295.404 2.052 10 0 CEAERO [NH3+][C@@H](C[C@@H]1CCS(=O)(=O)C1)c1ccc(OC2CC2)cc1 ZINC000097454103 185609571 /nfs/dbraw/zinc/60/95/71/185609571.db2.gz BSJVVUYSVZYKQB-NHYWBVRUSA-N 1 0 295.404 2.052 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)CN1CCC2(CCCC2)CC1 ZINC000085212664 178976009 /nfs/dbraw/zinc/97/60/09/178976009.db2.gz NLDQDHDONCEISJ-HNNXBMFYSA-N 1 0 268.445 2.392 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCN(C)c1ccccc1F ZINC000085214792 178978568 /nfs/dbraw/zinc/97/85/68/178978568.db2.gz OCTVMAFLMOIDOZ-CQSZACIVSA-N 1 0 254.349 2.013 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)CN(C)c1ccc(F)cc1 ZINC000085214313 178978571 /nfs/dbraw/zinc/97/85/71/178978571.db2.gz PONNLWMLOYPGHE-AWEZNQCLSA-N 1 0 254.349 2.011 10 0 CEAERO CCN(CC[C@H]([NH3+])CO)c1cccc2ccccc21 ZINC000085216026 178979044 /nfs/dbraw/zinc/97/90/44/178979044.db2.gz DEDXZWFDEJKNBG-AWEZNQCLSA-N 1 0 258.365 2.376 10 0 CEAERO CC(C)[NH2+][C@@](CO)(CN(C)[C@@H](C)C(C)(C)C)C1CC1 ZINC000085241825 178982287 /nfs/dbraw/zinc/98/22/87/178982287.db2.gz MJNYBJJEGRZOQC-XJKSGUPXSA-N 1 0 270.461 2.492 10 0 CEAERO CCCn1ccnc1C[C@H](NN)[C@](C)(CC)[NH+](CC)CC ZINC000097584155 185631122 /nfs/dbraw/zinc/63/11/22/185631122.db2.gz ZUJCCENENNLOCR-HOCLYGCPSA-N 1 0 295.475 2.178 10 0 CEAERO CCC(CC)([C@@H](NN)c1cc(F)ccc1OC)[NH+](C)C ZINC000097586553 185632198 /nfs/dbraw/zinc/63/21/98/185632198.db2.gz CGZLWGZDWVHZBG-AWEZNQCLSA-N 1 0 283.391 2.459 10 0 CEAERO C[NH2+][C@@](C)(CO)C[C@@H](C)Oc1ccc(F)cc1F ZINC000085283041 179000759 /nfs/dbraw/zinc/00/07/59/179000759.db2.gz KBBNELZJMGHCFT-NOZJJQNGSA-N 1 0 259.296 2.093 10 0 CEAERO Cc1ccc(OC[C@](C)(CO)[NH2+]C(C)C)c(C)c1 ZINC000085283452 179001566 /nfs/dbraw/zinc/00/15/66/179001566.db2.gz PLBXEQWZUUYIRR-HNNXBMFYSA-N 1 0 251.370 2.431 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCOc1cccc(C)c1C ZINC000085283917 179001608 /nfs/dbraw/zinc/00/16/08/179001608.db2.gz NIJTUXHWGJHOLX-OAHLLOKOSA-N 1 0 251.370 2.433 10 0 CEAERO COc1cccc(OCC[C@@](C)(CO)[NH2+]C(C)C)c1 ZINC000085284033 179002214 /nfs/dbraw/zinc/00/22/14/179002214.db2.gz PARIFSJPQZNKAJ-HNNXBMFYSA-N 1 0 267.369 2.213 10 0 CEAERO CCC[NH2+][C@@H](CO)CCOc1cc(C)cc(C)c1 ZINC000085284742 179002789 /nfs/dbraw/zinc/00/27/89/179002789.db2.gz IACZDAOXCVNQCZ-CQSZACIVSA-N 1 0 251.370 2.433 10 0 CEAERO CCCc1ccc(OC[C@@H](CO)[NH2+]C(C)C)cc1 ZINC000085265113 178995521 /nfs/dbraw/zinc/99/55/21/178995521.db2.gz DNWCBUGKYXAQJD-CQSZACIVSA-N 1 0 251.370 2.377 10 0 CEAERO C[C@@]([NH3+])(CO)CCCCOc1cc(F)ccc1F ZINC000085265819 178996237 /nfs/dbraw/zinc/99/62/37/178996237.db2.gz WHGNQQVYNWAGBT-ZDUSSCGKSA-N 1 0 259.296 2.224 10 0 CEAERO CC[NH+](CC)CC[C@@H](NN)c1cc(F)ccc1OC ZINC000097591970 185634739 /nfs/dbraw/zinc/63/47/39/185634739.db2.gz WEPGMKTYWBXEFL-CYBMUJFWSA-N 1 0 269.364 2.071 10 0 CEAERO COc1cc(C)ccc1OCC[C@H](CO)[NH2+]C(C)C ZINC000085286021 179003392 /nfs/dbraw/zinc/00/33/92/179003392.db2.gz HMXLFYBNAKDRCR-CYBMUJFWSA-N 1 0 267.369 2.131 10 0 CEAERO CC[NH2+][C@H](CO)CCSc1nc2cc(C)ccc2[nH]1 ZINC000085288243 179005265 /nfs/dbraw/zinc/00/52/65/179005265.db2.gz DBZSQJNVGHDJKI-NSHDSACASA-N 1 0 279.409 2.324 10 0 CEAERO CC[NH2+][C@@](C)(CO)C[C@@H](C)SC1CCOCC1 ZINC000085290207 179006430 /nfs/dbraw/zinc/00/64/30/179006430.db2.gz VWTTXRAXRNTMIY-DGCLKSJQSA-N 1 0 261.431 2.038 10 0 CEAERO C[NH2+][C@@H](CO)CCSc1ccc(C(F)(F)F)cn1 ZINC000085291799 179007007 /nfs/dbraw/zinc/00/70/07/179007007.db2.gz IIIRBQKENSDHIY-SECBINFHSA-N 1 0 280.315 2.163 10 0 CEAERO CC[NH2+][C@@H](CO)CCSc1ncnc2ccccc21 ZINC000085297210 179008198 /nfs/dbraw/zinc/00/81/98/179008198.db2.gz XXWVWYFORGEOAN-LLVKDONJSA-N 1 0 277.393 2.082 10 0 CEAERO Cc1nnc(S[C@H](C)C[C@](C)(CO)[NH2+]C2CC2)s1 ZINC000085297108 179008460 /nfs/dbraw/zinc/00/84/60/179008460.db2.gz GYDPXYKTUUPFJF-PRHODGIISA-N 1 0 287.454 2.220 10 0 CEAERO CCC[NH2+][C@@](C)(CO)C[C@H](C)Sc1ncc(C)cn1 ZINC000085297831 179009057 /nfs/dbraw/zinc/00/90/57/179009057.db2.gz DJBMQUWDDGJLDS-GXTWGEPZSA-N 1 0 283.441 2.406 10 0 CEAERO C[NH2+][C@@](CO)(CSCC(C)C)c1ccccc1 ZINC000085297865 179009276 /nfs/dbraw/zinc/00/92/76/179009276.db2.gz UUDSPDPMVFNCJH-AWEZNQCLSA-N 1 0 253.411 2.483 10 0 CEAERO C[NH2+][C@](CO)(CSCC(C)C)c1ccccc1 ZINC000085297868 179009292 /nfs/dbraw/zinc/00/92/92/179009292.db2.gz UUDSPDPMVFNCJH-CQSZACIVSA-N 1 0 253.411 2.483 10 0 CEAERO CC[NH2+][C@@](C)(CO)C[C@H](C)Sc1ncc(C)cn1 ZINC000085297823 179009350 /nfs/dbraw/zinc/00/93/50/179009350.db2.gz NEPDZLPTKSJZLE-WCQYABFASA-N 1 0 269.414 2.016 10 0 CEAERO COc1ccccc1S[C@H](C)C[C@](C)([NH3+])CO ZINC000085297520 179009370 /nfs/dbraw/zinc/00/93/70/179009370.db2.gz KXTNQAMKYHSCJJ-MFKMUULPSA-N 1 0 255.383 2.276 10 0 CEAERO CCC[NH2+][C@](C)(CO)C[C@H](C)Sc1cnn(C)c1 ZINC000085297707 179009522 /nfs/dbraw/zinc/00/95/22/179009522.db2.gz CHRYBNRWIMICQK-AAEUAGOBSA-N 1 0 271.430 2.041 10 0 CEAERO CC(C)CCCOC[C@](O)(C[NH3+])c1ccccc1 ZINC000085305784 179012043 /nfs/dbraw/zinc/01/20/43/179012043.db2.gz KFOZSXOIWPGUFE-OAHLLOKOSA-N 1 0 251.370 2.286 10 0 CEAERO C[C@@H](C[C@@](C)(O)C[NH3+])n1ccnc1-c1cccs1 ZINC000085304873 179012057 /nfs/dbraw/zinc/01/20/57/179012057.db2.gz BAVICYURKGTYHV-GXFFZTMASA-N 1 0 265.382 2.272 10 0 CEAERO CCOc1ccccc1OCCCC[C@](C)(O)C[NH3+] ZINC000085306635 179012476 /nfs/dbraw/zinc/01/24/76/179012476.db2.gz RQONBDODZXKXTB-HNNXBMFYSA-N 1 0 267.369 2.344 10 0 CEAERO CCOc1ccc(OCCCC[C@](C)(O)C[NH3+])cc1 ZINC000085306504 179012519 /nfs/dbraw/zinc/01/25/19/179012519.db2.gz YPWNRNDBDKUJRT-HNNXBMFYSA-N 1 0 267.369 2.344 10 0 CEAERO Cc1ccc(OC[C@@](C)(O)C[NH3+])c(C(C)(C)C)c1 ZINC000085306461 179012655 /nfs/dbraw/zinc/01/26/55/179012655.db2.gz BWTADWZVQMUTIS-HNNXBMFYSA-N 1 0 251.370 2.381 10 0 CEAERO [NH3+]C[C@](O)(CSc1cc(F)ccc1F)C1CC1 ZINC000085308866 179013276 /nfs/dbraw/zinc/01/32/76/179013276.db2.gz VTTDZNKEJYYDGJ-LBPRGKRZSA-N 1 0 259.321 2.157 10 0 CEAERO C[C@@H]([NH3+])CSCc1noc(-c2cccs2)n1 ZINC000085314084 179013682 /nfs/dbraw/zinc/01/36/82/179013682.db2.gz OMBQPAVYCNATDP-SSDOTTSWSA-N 1 0 255.368 2.379 10 0 CEAERO CO[C@H]1CCC[C@@H](OC(=O)[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000085331279 179020727 /nfs/dbraw/zinc/02/07/27/179020727.db2.gz FMYRGLNOEYXYGV-LOWDOPEQSA-N 1 0 255.358 2.005 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000085355492 179030278 /nfs/dbraw/zinc/03/02/78/179030278.db2.gz NIKDSZAYGLSTBM-KBPBESRZSA-N 1 0 264.344 2.002 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1ccc(F)cc1F ZINC000085356888 179030611 /nfs/dbraw/zinc/03/06/11/179030611.db2.gz OWLMBUQUDJKMNS-MWLCHTKSSA-N 1 0 254.280 2.421 10 0 CEAERO COC(=O)c1ccc(Cl)cc1NC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085360580 179032382 /nfs/dbraw/zinc/03/23/82/179032382.db2.gz CMOURVIOIDESOK-ONGXEEELSA-N 1 0 296.754 2.193 10 0 CEAERO COC(=O)c1cc(Cl)ccc1NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085360398 179032511 /nfs/dbraw/zinc/03/25/11/179032511.db2.gz NCEHNADKAPIORD-KOLCDFICSA-N 1 0 296.754 2.193 10 0 CEAERO Cc1nnc(-c2ccccc2NC(=O)[C@@H]2CCC[C@@H]2[NH3+])o1 ZINC000085360159 179032594 /nfs/dbraw/zinc/03/25/94/179032594.db2.gz AYOMFCCQZZPEOB-PWSUYJOCSA-N 1 0 286.335 2.111 10 0 CEAERO Cc1noc(-c2ccccc2NC(=O)[C@@H]2CCC[C@@H]2[NH3+])n1 ZINC000085360356 179032623 /nfs/dbraw/zinc/03/26/23/179032623.db2.gz WIZSTSUBJKSZRQ-PWSUYJOCSA-N 1 0 286.335 2.111 10 0 CEAERO COc1ccc(F)cc1[C@@H](C)NC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085364311 179035200 /nfs/dbraw/zinc/03/52/00/179035200.db2.gz USBXQKLEUMOBRQ-CDMKHQONSA-N 1 0 280.343 2.139 10 0 CEAERO [NH3+][C@H]1COC[C@@H]1c1nc2cc(Br)ccc2s1 ZINC000085352953 179029544 /nfs/dbraw/zinc/02/95/44/179029544.db2.gz CPYJUPLFOALELO-YUMQZZPRSA-N 1 0 299.193 2.500 10 0 CEAERO [NH3+][C@@H]1COC[C@@H]1c1nc2cc(Cl)ccc2s1 ZINC000085352943 179029695 /nfs/dbraw/zinc/02/96/95/179029695.db2.gz BDHCNQJDGPQBQO-JGVFFNPUSA-N 1 0 254.742 2.391 10 0 CEAERO Cc1nn(C(C)C)c(C)c1NC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085366365 179037017 /nfs/dbraw/zinc/03/70/17/179037017.db2.gz OACZULNIPPJOCM-RYUDHWBXSA-N 1 0 264.373 2.147 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1cccc2n[nH]cc21 ZINC000085366219 179037086 /nfs/dbraw/zinc/03/70/86/179037086.db2.gz KXJLZTMDMGYSJP-ONGXEEELSA-N 1 0 258.325 2.019 10 0 CEAERO CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085368794 179038549 /nfs/dbraw/zinc/03/85/49/179038549.db2.gz FWUROERHZUPXSA-RISCZKNCSA-N 1 0 282.334 2.441 10 0 CEAERO CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085368796 179038727 /nfs/dbraw/zinc/03/87/27/179038727.db2.gz FWUROERHZUPXSA-BXUZGUMPSA-N 1 0 282.334 2.441 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)NCCc1ccc(OC(F)F)cc1 ZINC000085371298 179041365 /nfs/dbraw/zinc/04/13/65/179041365.db2.gz KTBUSAHNYAZSET-OLZOCXBDSA-N 1 0 298.333 2.074 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1nc(C2CC2)cs1 ZINC000085372569 179042171 /nfs/dbraw/zinc/04/21/71/179042171.db2.gz BCTOPZLXVAMGSW-UWVGGRQHSA-N 1 0 265.382 2.477 10 0 CEAERO Cc1cccc(CCNC(=O)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000085373939 179042670 /nfs/dbraw/zinc/04/26/70/179042670.db2.gz YBQZAVFUZBXGLF-HUUCEWRRSA-N 1 0 260.381 2.171 10 0 CEAERO COc1ccccc1N(C)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085373416 179042673 /nfs/dbraw/zinc/04/26/73/179042673.db2.gz RIVGEXFVOHUWEG-RYUDHWBXSA-N 1 0 262.353 2.176 10 0 CEAERO CN(C(=O)[C@@H]1CCCC[C@@H]1[NH3+])c1cccc(F)c1 ZINC000085373589 179042721 /nfs/dbraw/zinc/04/27/21/179042721.db2.gz UEWYELPRJKGJOC-OLZOCXBDSA-N 1 0 250.317 2.306 10 0 CEAERO CCO[C@H]1C[C@H]([NH2+]C[C@@H](C(C)C)N(C)C)C1(C)C ZINC000085380401 179045425 /nfs/dbraw/zinc/04/54/25/179045425.db2.gz VCZOOTQPBAUGQQ-IHRRRGAJSA-N 1 0 256.434 2.366 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000085364638 179036269 /nfs/dbraw/zinc/03/62/69/179036269.db2.gz ZKWQFZBMKFYMDK-OLZOCXBDSA-N 1 0 260.337 2.078 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)Nc1ccc(-c2cnco2)cc1 ZINC000085365743 179036445 /nfs/dbraw/zinc/03/64/45/179036445.db2.gz UNPYIZHAHMUDMV-OLZOCXBDSA-N 1 0 271.320 2.408 10 0 CEAERO COc1ccccc1C[C@H](C)NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085365948 179036630 /nfs/dbraw/zinc/03/66/30/179036630.db2.gz IPJJVSRJAIZQDV-QEJZJMRPSA-N 1 0 290.407 2.260 10 0 CEAERO CC(C)c1nc2cc(NC(=O)[C@H]3CC[NH2+]C3)ccc2o1 ZINC000062113986 362707554 /nfs/dbraw/zinc/70/75/54/362707554.db2.gz JPYNRHZDNZTYFA-JTQLQIEISA-N 1 0 273.336 2.499 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](CN(C)C)C(C)C)C1(C)C ZINC000085397873 179050726 /nfs/dbraw/zinc/05/07/26/179050726.db2.gz WWEGHORDAXBGNS-BFHYXJOUSA-N 1 0 256.434 2.366 10 0 CEAERO CC(C)CO[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)N(C)C2)C1(C)C ZINC000085402259 179052304 /nfs/dbraw/zinc/05/23/04/179052304.db2.gz CJTBQBYYICSYKZ-MCIONIFRSA-N 1 0 282.428 2.037 10 0 CEAERO CC1(C)[C@@H]2C(=O)N([C@@H]3CC[NH2+]C4(CCCCC4)C3)C(=O)[C@@H]21 ZINC000085405322 179054506 /nfs/dbraw/zinc/05/45/06/179054506.db2.gz CMSWVMNHLUPDLD-UPJWGTAASA-N 1 0 290.407 2.082 10 0 CEAERO CCC[C@@H]1C[N@H+](CCCOC)C2(CCCC2)CN1 ZINC000085466258 179071860 /nfs/dbraw/zinc/07/18/60/179071860.db2.gz QUZDBJKFNKVZMN-CQSZACIVSA-N 1 0 254.418 2.410 10 0 CEAERO CCC[C@H]1CN([C@@H]2CCOC2)C2(CCCC2)C[NH2+]1 ZINC000085466302 179071880 /nfs/dbraw/zinc/07/18/80/179071880.db2.gz QYARPVACMWUFIP-UONOGXRCSA-N 1 0 252.402 2.162 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@@H]1Nc1ncncc1Br ZINC000085467172 179072797 /nfs/dbraw/zinc/07/27/97/179072797.db2.gz LLQNZAAWJXLEON-SCZZXKLOSA-N 1 0 285.189 2.169 10 0 CEAERO Fc1ccc(CN2CC[NH2+]C[C@H]2C2CC2)c(F)c1 ZINC000085451365 179065227 /nfs/dbraw/zinc/06/52/27/179065227.db2.gz CCXCNUIARIOZDT-AWEZNQCLSA-N 1 0 252.308 2.149 10 0 CEAERO CCC1(CC)C[NH2+]CCN1Cc1ccn(C(C)C)n1 ZINC000085452176 179065871 /nfs/dbraw/zinc/06/58/71/179065871.db2.gz UXWGGBIEVVAWDR-UHFFFAOYSA-N 1 0 264.417 2.428 10 0 CEAERO CC(C)OCCN1CC[NH2+]C[C@]1(C)c1ccccc1 ZINC000085452619 179066266 /nfs/dbraw/zinc/06/62/66/179066266.db2.gz HZFPBSLTBIQTJY-MRXNPFEDSA-N 1 0 262.397 2.232 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C)CN1Cc1ccc(OC)c(F)c1 ZINC000085453352 179066941 /nfs/dbraw/zinc/06/69/41/179066941.db2.gz ARYQQXHBDHJLFM-WCQYABFASA-N 1 0 266.360 2.407 10 0 CEAERO CCC[C@H]1CN(C[C@@H]2CCCO2)[C@H](C(C)C)C[NH2+]1 ZINC000085455221 179067617 /nfs/dbraw/zinc/06/76/17/179067617.db2.gz NNIUKEYSDPRFAR-KKUMJFAQSA-N 1 0 254.418 2.264 10 0 CEAERO CCC[C@H]1CN(CCn2ccnc2C)C(C)(C)C[NH2+]1 ZINC000085455513 179067953 /nfs/dbraw/zinc/06/79/53/179067953.db2.gz SIAIFAVOQSWRGL-AWEZNQCLSA-N 1 0 264.417 2.044 10 0 CEAERO CC[C@H]1CN([C@@H]2CCOC2)[C@H](c2ccccc2)C[NH2+]1 ZINC000085473888 179077792 /nfs/dbraw/zinc/07/77/92/179077792.db2.gz HKMYZWQNENQCNC-XHSDSOJGSA-N 1 0 260.381 2.200 10 0 CEAERO CC[C@H](C)[C@@H]1CN(Cc2ncccn2)[C@@H](CC)C[NH2+]1 ZINC000085490681 179081271 /nfs/dbraw/zinc/08/12/71/179081271.db2.gz HKPYSBGXLNWYNS-IHRRRGAJSA-N 1 0 262.401 2.075 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](Cc2ccccc2)CN1CC(F)F ZINC000085489122 179081536 /nfs/dbraw/zinc/08/15/36/179081536.db2.gz KRPYSCUEBXDQEL-YPMHNXCESA-N 1 0 254.324 2.157 10 0 CEAERO CC[C@]1(C)C[N@H+](CCCn2ccnc2)C(C)(C)CN1 ZINC000085496322 179081923 /nfs/dbraw/zinc/08/19/23/179081923.db2.gz JLAYDJMFGTWKJO-OAHLLOKOSA-N 1 0 264.417 2.126 10 0 CEAERO CC[C@H](C)[C@H]1C[NH2+]C(C)(C)CN1Cc1ncccn1 ZINC000085470107 179075369 /nfs/dbraw/zinc/07/53/69/179075369.db2.gz JEPSPIMNPRIRBU-QWHCGFSZSA-N 1 0 262.401 2.075 10 0 CEAERO CC(C)[C@H]1CNC(C)(C)C[N@@H+]1C[C@@H]1CCCCO1 ZINC000085469891 179075399 /nfs/dbraw/zinc/07/53/99/179075399.db2.gz UTFPUVREVCYPKP-UONOGXRCSA-N 1 0 254.418 2.264 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cccc2c1CCC2 ZINC000193648880 232496620 /nfs/dbraw/zinc/49/66/20/232496620.db2.gz SDHWDERXHRVPLC-ABAIWWIYSA-N 1 0 258.365 2.046 10 0 CEAERO CC(C)(C)[C@@H]1CNC(C)(C)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085470816 179076083 /nfs/dbraw/zinc/07/60/83/179076083.db2.gz HOACDJQYPORILB-STQMWFEESA-N 1 0 254.418 2.264 10 0 CEAERO CO[C@H]1CCC[C@@H]([N@@H+]2CC(C)(C)NCC2(C)C)C1 ZINC000085471078 179076171 /nfs/dbraw/zinc/07/61/71/179076171.db2.gz IDMOUWIUFKIIBV-OLZOCXBDSA-N 1 0 254.418 2.406 10 0 CEAERO CO[C@H]1CCC[C@H]([N@@H+]2CC(C)(C)NCC2(C)C)C1 ZINC000085471082 179076509 /nfs/dbraw/zinc/07/65/09/179076509.db2.gz IDMOUWIUFKIIBV-STQMWFEESA-N 1 0 254.418 2.406 10 0 CEAERO COCCC[N@@H+]1CC(C)(C)NCC12CCCCC2 ZINC000085471492 179076629 /nfs/dbraw/zinc/07/66/29/179076629.db2.gz PMRAIQYIDIMETK-UHFFFAOYSA-N 1 0 254.418 2.410 10 0 CEAERO CCC[C@@H]1CN[C@@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085511487 179085385 /nfs/dbraw/zinc/08/53/85/179085385.db2.gz NIELSCJAZOLIOR-OWCLPIDISA-N 1 0 266.429 2.408 10 0 CEAERO CC[C@@H]1CN[C@](C)(C2CC2)C[N@@H+]1CC1CCOCC1 ZINC000085510852 179085613 /nfs/dbraw/zinc/08/56/13/179085613.db2.gz RNDTUPKHXQADIL-CVEARBPZSA-N 1 0 266.429 2.266 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cc(Cl)ccc2F)C1 ZINC000062969409 362737671 /nfs/dbraw/zinc/73/76/71/362737671.db2.gz HAIZDYWPUHKFGZ-SNVBAGLBSA-N 1 0 270.735 2.255 10 0 CEAERO C[C@]1(C2CC2)CN(Cc2cccnc2)[C@H](C2CC2)C[NH2+]1 ZINC000085513807 179086364 /nfs/dbraw/zinc/08/63/64/179086364.db2.gz MBMKPNOKIJAQEL-DLBZAZTESA-N 1 0 271.408 2.434 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1cnn(C)c1 ZINC000085512575 179086763 /nfs/dbraw/zinc/08/67/63/179086763.db2.gz NTEOYRUVMPDEPH-HOTGVXAUSA-N 1 0 276.428 2.019 10 0 CEAERO COCC[N@@H+]1C[C@](C)(C2CC2)NC[C@@H]1CC(C)C ZINC000085513392 179086833 /nfs/dbraw/zinc/08/68/33/179086833.db2.gz RHHDFHQLCMCNHR-LSDHHAIUSA-N 1 0 254.418 2.121 10 0 CEAERO CC(C)C[C@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1ncccn1 ZINC000085513195 179087024 /nfs/dbraw/zinc/08/70/24/179087024.db2.gz AHEPWHNDYYVDKN-DOTOQJQBSA-N 1 0 288.439 2.465 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](C2CC2)CN1CCCOCC(F)(F)F ZINC000085521734 179088706 /nfs/dbraw/zinc/08/87/06/179088706.db2.gz IYSZODBRLAGRHO-ZYHUDNBSSA-N 1 0 280.334 2.028 10 0 CEAERO CC[NH2+]C[C@@](C)(O)COc1ccc(Br)cc1 ZINC000085501252 179083622 /nfs/dbraw/zinc/08/36/22/179083622.db2.gz CPJKZCUYZUJJPV-GFCCVEGCSA-N 1 0 288.185 2.188 10 0 CEAERO C[C@H]1CN(C(=O)CSCc2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000602593776 347092630 /nfs/dbraw/zinc/09/26/30/347092630.db2.gz NBAQFRMJVCXDTI-AAEUAGOBSA-N 1 0 296.411 2.112 10 0 CEAERO [NH3+]C1CC(Oc2ccc(Br)c(F)c2)C1 ZINC000085526539 179089250 /nfs/dbraw/zinc/08/92/50/179089250.db2.gz MQBCQDJPKGRNEZ-UHFFFAOYSA-N 1 0 260.106 2.457 10 0 CEAERO c1cc(CN2C[C@@H](C3CC3)[NH2+]C[C@@H]2C2CC2)ccn1 ZINC000085526532 179089354 /nfs/dbraw/zinc/08/93/54/179089354.db2.gz FGRKKUWQAZATMC-JKSUJKDBSA-N 1 0 257.381 2.044 10 0 CEAERO CO[C@H]1CCC[C@@H]([N@@H+]2C[C@H](C3CC3)NCC2(C)C)C1 ZINC000085527932 179090238 /nfs/dbraw/zinc/09/02/38/179090238.db2.gz UUJNYQSGPWXACX-QLFBSQMISA-N 1 0 266.429 2.406 10 0 CEAERO C[C@@]1(C2CC2)C[NH2+][C@H](C2CC2)CN1Cc1ccncc1 ZINC000085529497 179091531 /nfs/dbraw/zinc/09/15/31/179091531.db2.gz KRFXRDZQEXJXBJ-IRXDYDNUSA-N 1 0 271.408 2.434 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](C2CCCCC2)CN1Cc1ncccn1 ZINC000085529656 179091622 /nfs/dbraw/zinc/09/16/22/179091622.db2.gz CRKUUADVQUQASM-UKRRQHHQSA-N 1 0 274.412 2.219 10 0 CEAERO C[C@H]1C[NH2+][C@@H](C2CCCCC2)CN1CCn1cccn1 ZINC000085529735 179092061 /nfs/dbraw/zinc/09/20/61/179092061.db2.gz ZJMBNFDUYBNOPP-GOEBONIOSA-N 1 0 276.428 2.126 10 0 CEAERO C[NH2+][C@@H]1CCC2(C[C@@H]1Oc1cc(C)ccc1F)OCCO2 ZINC000085554602 179093020 /nfs/dbraw/zinc/09/30/20/179093020.db2.gz RPYSNBXTOVGOAM-HIFRSBDPSA-N 1 0 295.354 2.397 10 0 CEAERO Cc1ccc(F)c(OC[C@@](C)(CO)[NH2+]C(C)C)c1 ZINC000085565100 179094784 /nfs/dbraw/zinc/09/47/84/179094784.db2.gz VPZVEIHPOGUXIV-CQSZACIVSA-N 1 0 255.333 2.262 10 0 CEAERO CCOCCCn1c2c(nc1C(C)C)C[NH2+]CC2 ZINC000085569101 179096538 /nfs/dbraw/zinc/09/65/38/179096538.db2.gz YOFZMMJROHOERU-UHFFFAOYSA-N 1 0 251.374 2.079 10 0 CEAERO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@H](CO)c1ccccc1 ZINC000063002801 362740514 /nfs/dbraw/zinc/74/05/14/362740514.db2.gz SBWRDHXJCBMYCH-IUODEOHRSA-N 1 0 278.396 2.003 10 0 CEAERO CCCc1nc2c(n1-c1ccc(OC)cc1)CC[NH2+]C2 ZINC000085569439 179096713 /nfs/dbraw/zinc/09/67/13/179096713.db2.gz QPBGQXKWWQWVLN-UHFFFAOYSA-N 1 0 271.364 2.479 10 0 CEAERO CC(C)Cc1nc2c(n1CC1CCOCC1)CC[NH2+]C2 ZINC000085571426 179096897 /nfs/dbraw/zinc/09/68/97/179096897.db2.gz XDTSJUZQWDRQOC-UHFFFAOYSA-N 1 0 277.412 2.154 10 0 CEAERO CC(C)Cc1nc2c(n1[C@H]1CCCOC1)CC[NH2+]C2 ZINC000085571726 179097094 /nfs/dbraw/zinc/09/70/94/179097094.db2.gz DKRFGVKGGGUMFG-LBPRGKRZSA-N 1 0 263.385 2.079 10 0 CEAERO C[C@@H]1CCN[C@@H](C(C)(C)C)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085624689 179106923 /nfs/dbraw/zinc/10/69/23/179106923.db2.gz YFOFXWRBNIHCCA-HZSPNIEDSA-N 1 0 254.418 2.121 10 0 CEAERO C[C@@H]1CN(Cc2ccn(C3CCCC3)n2)CCC[NH2+]1 ZINC000085610302 179101292 /nfs/dbraw/zinc/10/12/92/179101292.db2.gz PCEJXEJNZYVIHT-CYBMUJFWSA-N 1 0 262.401 2.182 10 0 CEAERO CCC[C@H]1CN(Cc2cccc(OC)n2)CCC[NH2+]1 ZINC000085612104 179102534 /nfs/dbraw/zinc/10/25/34/179102534.db2.gz KTDBLWFBDJEGED-ZDUSSCGKSA-N 1 0 263.385 2.054 10 0 CEAERO C[C@@H]1CC[NH2+]CCN1Cc1ccc2ncccc2c1 ZINC000085622332 179106235 /nfs/dbraw/zinc/10/62/35/179106235.db2.gz XWEUQNAETMKDHU-CYBMUJFWSA-N 1 0 255.365 2.419 10 0 CEAERO CCN(CC)C(=O)CC[NH2+][C@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000085674491 179111676 /nfs/dbraw/zinc/11/16/76/179111676.db2.gz AZMOLUOCRILPIY-SNPRPXQTSA-N 1 0 282.428 2.038 10 0 CEAERO CCOc1cc(N2CCC([NH+](C)C)CC2)c(N)cc1F ZINC000110633147 136557678 /nfs/dbraw/zinc/55/76/78/136557678.db2.gz GYWQFJLUGYTHBW-UHFFFAOYSA-N 1 0 281.375 2.337 10 0 CEAERO C[C@@H](C[NH2+]C1CC1)CN1CCN(C)c2ccccc21 ZINC000111463016 136562096 /nfs/dbraw/zinc/56/20/96/136562096.db2.gz HJEWRVAYOACHGV-ZDUSSCGKSA-N 1 0 259.397 2.331 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)N(C)Cc1cc(C)c(OC)c(C)c1 ZINC000236892952 370648015 /nfs/dbraw/zinc/64/80/15/370648015.db2.gz KGTUDLOPMZMHEG-CQSZACIVSA-N 1 0 278.396 2.398 10 0 CEAERO CC[NH2+][C@H](CN(C)C)c1occc1Br ZINC000085799471 179172648 /nfs/dbraw/zinc/17/26/48/179172648.db2.gz YRHMAFJVVGNLLI-SECBINFHSA-N 1 0 261.163 2.254 10 0 CEAERO CN(C)C[C@H]([NH3+])Cc1ccc(F)c(Br)c1 ZINC000085798097 179173043 /nfs/dbraw/zinc/17/30/43/179173043.db2.gz SBZUTQKVCAYFFA-SECBINFHSA-N 1 0 275.165 2.020 10 0 CEAERO [NH3+]Cc1ccccc1NC(=O)c1n[nH]c2ccccc21 ZINC000085810436 179177510 /nfs/dbraw/zinc/17/75/10/179177510.db2.gz NOKNNEJQUCDLKF-UHFFFAOYSA-N 1 0 266.304 2.274 10 0 CEAERO [NH3+][C@]1(c2nc3c(cccc3F)n2C2CC2)CCOC1 ZINC000085849719 179187421 /nfs/dbraw/zinc/18/74/21/179187421.db2.gz NTOHMKBMSQIQOF-CQSZACIVSA-N 1 0 261.300 2.085 10 0 CEAERO O[C@H]1CCCC[C@H]1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000085963510 179204792 /nfs/dbraw/zinc/20/47/92/179204792.db2.gz UNCJWKFWVPHIMO-AAEUAGOBSA-N 1 0 294.361 2.154 10 0 CEAERO COc1ccc(C(=O)NC[C@@H]2CCCC[C@@H]2[NH3+])cc1F ZINC000085964781 179205453 /nfs/dbraw/zinc/20/54/53/179205453.db2.gz DQUKRTBTNJUNOI-AAEUAGOBSA-N 1 0 280.343 2.082 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1CNC(=O)c1cccc2ncccc21 ZINC000085966436 179206019 /nfs/dbraw/zinc/20/60/19/179206019.db2.gz ISDXHALSOZCSHJ-WFASDCNBSA-N 1 0 283.375 2.482 10 0 CEAERO Cc1ccc(S(=O)(=O)NC[C@H]2CCCC[C@H]2[NH3+])cc1C ZINC000085971632 179206616 /nfs/dbraw/zinc/20/66/16/179206616.db2.gz WRVZKDHMCMQNMI-UKRRQHHQSA-N 1 0 296.436 2.099 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1CNS(=O)(=O)CC1CCCCC1 ZINC000085971819 179207081 /nfs/dbraw/zinc/20/70/81/179207081.db2.gz QEMWELVWDCDMCT-UONOGXRCSA-N 1 0 288.457 2.004 10 0 CEAERO CCS(=O)(=O)c1ccccc1NC[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085975201 179207764 /nfs/dbraw/zinc/20/77/64/179207764.db2.gz QLWHAIWRALHRDU-STQMWFEESA-N 1 0 296.436 2.410 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1CNc1nccc(C(F)(F)F)n1 ZINC000085975045 179207873 /nfs/dbraw/zinc/20/78/73/179207873.db2.gz AWXJZMLBTVAUAW-RKDXNWHRSA-N 1 0 274.290 2.425 10 0 CEAERO CCS(=O)(=O)c1ccccc1NC[C@@H]1CCCC[C@H]1[NH3+] ZINC000085975209 179208028 /nfs/dbraw/zinc/20/80/28/179208028.db2.gz QLWHAIWRALHRDU-QWHCGFSZSA-N 1 0 296.436 2.410 10 0 CEAERO C[C@@H]([NH3+])[C@H](CO)Oc1ccc(Cc2ccccc2)cc1 ZINC000085919639 179199739 /nfs/dbraw/zinc/19/97/39/179199739.db2.gz MFKVXYQAGUWOSK-DYVFJYSZSA-N 1 0 271.360 2.364 10 0 CEAERO O[C@@H]1CCCC[C@H]1C[NH2+]CC1(O)CCCCCC1 ZINC000085987281 179212840 /nfs/dbraw/zinc/21/28/40/179212840.db2.gz BCKIWZHORDNSKV-UONOGXRCSA-N 1 0 255.402 2.212 10 0 CEAERO Cc1ncsc1CC[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000085987374 179212963 /nfs/dbraw/zinc/21/29/63/179212963.db2.gz SAKTUVJASVGUTG-NWDGAFQWSA-N 1 0 254.399 2.135 10 0 CEAERO CCOC(=O)CCCCC[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000085987527 179213153 /nfs/dbraw/zinc/21/31/53/179213153.db2.gz OBRXORMSXAWDIL-KBPBESRZSA-N 1 0 271.401 2.251 10 0 CEAERO CCC[NH2+][C@H]1CC[C@@H](Sc2nncn2C)[C@@H]1C ZINC000086044720 179222718 /nfs/dbraw/zinc/22/27/18/179222718.db2.gz FKIJFUSFHNUTFE-OUAUKWLOSA-N 1 0 254.403 2.074 10 0 CEAERO CCC[NH2+][C@@H]1CC[C@H](SCCC(=O)OC)[C@@H]1C ZINC000086043986 179222866 /nfs/dbraw/zinc/22/28/66/179222866.db2.gz RCJZACWFWRLREK-UTUOFQBUSA-N 1 0 259.415 2.449 10 0 CEAERO C[C@@H]1[C@@H](C)CC[C@@H]1NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000086075434 179225036 /nfs/dbraw/zinc/22/50/36/179225036.db2.gz PVPWYCZNQWJNGJ-CRWXNKLISA-N 1 0 252.402 2.317 10 0 CEAERO C[C@@H]1[C@@H](C)CC[C@@H]1NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000086075456 179225182 /nfs/dbraw/zinc/22/51/82/179225182.db2.gz LUTGZTCGWDFWGE-MXYBEHONSA-N 1 0 260.381 2.107 10 0 CEAERO CCC[NH2+][C@H](Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000086026248 179219813 /nfs/dbraw/zinc/21/98/13/179219813.db2.gz UAAZIXBRUBXBQB-UKRRQHHQSA-N 1 0 299.411 2.171 10 0 CEAERO CC(C)C[NH+](Cc1cc(NN)ccn1)CC(C)C ZINC000086135212 179236358 /nfs/dbraw/zinc/23/63/58/179236358.db2.gz GMZSNLFEMNVYRQ-UHFFFAOYSA-N 1 0 250.390 2.481 10 0 CEAERO c1ccc(C[C@@H]2CN(CCc3ccccn3)CC[NH2+]2)cc1 ZINC000086130652 179236566 /nfs/dbraw/zinc/23/65/66/179236566.db2.gz IATPJDSMRZOTAV-GOSISDBHSA-N 1 0 281.403 2.141 10 0 CEAERO Cc1csc(CN2CC[NH2+][C@H](Cc3ccccc3)C2)n1 ZINC000086144331 179237881 /nfs/dbraw/zinc/23/78/81/179237881.db2.gz OBOHWLWMOPNZRX-OAHLLOKOSA-N 1 0 287.432 2.468 10 0 CEAERO CC[C@@H]1CC[C@H](NS(=O)(=O)c2ccccc2C[NH3+])[C@@H]1C ZINC000086091438 179228967 /nfs/dbraw/zinc/22/89/67/179228967.db2.gz YYXOKMFHMQNMGB-BZPMIXESSA-N 1 0 296.436 2.248 10 0 CEAERO CC[C@H]1CC[C@@H](NC(=O)[C@@H]2CCCCC[NH2+]2)[C@@H]1C ZINC000086093934 179229118 /nfs/dbraw/zinc/22/91/18/179229118.db2.gz WZFJHULKNAQDBO-RQJABVFESA-N 1 0 252.402 2.460 10 0 CEAERO CC[C@@H](COC)N1CC[NH2+][C@H](C2CCCCC2)C1 ZINC000086150350 179240390 /nfs/dbraw/zinc/24/03/90/179240390.db2.gz FTLYMOQJQJVZEE-GJZGRUSLSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C(C)C)CN1Cc1ccnc(OC)c1 ZINC000086175224 179245362 /nfs/dbraw/zinc/24/53/62/179245362.db2.gz CHVFKGLLOBLAEU-CABCVRRESA-N 1 0 277.412 2.299 10 0 CEAERO Cc1ncsc1CN1C[C@H](C(C)C)[NH2+]C[C@@H]1C ZINC000086175518 179245509 /nfs/dbraw/zinc/24/55/09/179245509.db2.gz AVKVGYKHFWRNTD-CMPLNLGQSA-N 1 0 253.415 2.270 10 0 CEAERO CC(C)[C@@H]1CN(C[C@@H]2Cc3ccccc3O2)[C@@H](C)C[NH2+]1 ZINC000086174468 179245710 /nfs/dbraw/zinc/24/57/10/179245710.db2.gz KOKFSEYCLUWSCG-BPUTZDHNSA-N 1 0 274.408 2.308 10 0 CEAERO Cc1ncsc1CN1CC[NH2+][C@H](CC(C)C)C1 ZINC000086149051 179239447 /nfs/dbraw/zinc/23/94/47/179239447.db2.gz CWZDIOGYPNPWRD-GFCCVEGCSA-N 1 0 253.415 2.271 10 0 CEAERO C[C@@H](Cc1cccs1)N1CC[NH2+][C@H](C2CC2)C1 ZINC000086149108 179239675 /nfs/dbraw/zinc/23/96/75/179239675.db2.gz CIOOEKYYHGMYMG-FZMZJTMJSA-N 1 0 250.411 2.363 10 0 CEAERO c1csc(CCN2CC[NH2+][C@@H](Cc3ccccc3)C2)n1 ZINC000086148914 179239778 /nfs/dbraw/zinc/23/97/78/179239778.db2.gz QHFQQZWXBZBWCL-HNNXBMFYSA-N 1 0 287.432 2.202 10 0 CEAERO Fc1cc(F)cc(CCN2CC[NH2+][C@@H](C3CC3)C2)c1 ZINC000086147697 179239843 /nfs/dbraw/zinc/23/98/43/179239843.db2.gz CJPPUPFTVDVLQR-OAHLLOKOSA-N 1 0 266.335 2.191 10 0 CEAERO CC(C)[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1c1cnn(C)c1 ZINC000086218383 179249840 /nfs/dbraw/zinc/24/98/40/179249840.db2.gz VODHQGQBNNAZPH-ZIAGYGMSSA-N 1 0 264.417 2.269 10 0 CEAERO C[C@@H]1CN[C@](C)(c2ccccc2)C[N@@H+]1C1CCOCC1 ZINC000086218834 179250535 /nfs/dbraw/zinc/25/05/35/179250535.db2.gz NEHMGUXCLOGDNX-PBHICJAKSA-N 1 0 274.408 2.375 10 0 CEAERO CC[C@H]1CN[C@](C)(C2CC2)C[N@@H+]1C1CCOCC1 ZINC000086218765 179250579 /nfs/dbraw/zinc/25/05/79/179250579.db2.gz PILMQVKGUYUJOB-ZFWWWQNUSA-N 1 0 252.402 2.018 10 0 CEAERO C[C@@H]1CN[C@@](C)(c2ccccc2)C[N@@H+]1C1CCOCC1 ZINC000086218832 179251168 /nfs/dbraw/zinc/25/11/68/179251168.db2.gz NEHMGUXCLOGDNX-RHSMWYFYSA-N 1 0 274.408 2.375 10 0 CEAERO C[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1CCc1ccccn1 ZINC000086221434 179251250 /nfs/dbraw/zinc/25/12/50/179251250.db2.gz OPZXTHZIMUYOGY-CZUORRHYSA-N 1 0 259.397 2.087 10 0 CEAERO C[C@H]1C[NH2+][C@](C)(C2CC2)CN1CCc1ccncc1 ZINC000086223307 179252281 /nfs/dbraw/zinc/25/22/81/179252281.db2.gz OWGQUHUEIHMTLE-BBRMVZONSA-N 1 0 259.397 2.087 10 0 CEAERO CC[C@@H]1C[NH2+][C@](C)(CC)CN1CCc1ccncc1 ZINC000086223334 179252335 /nfs/dbraw/zinc/25/23/35/179252335.db2.gz HZCRIKLODGWIHW-HZPDHXFCSA-N 1 0 261.413 2.477 10 0 CEAERO C[NH2+]C/C=C/c1cc(Br)c2c(c1)OCCO2 ZINC000086227656 179254205 /nfs/dbraw/zinc/25/42/05/179254205.db2.gz AIGWGCLHWCCPLM-NSCUHMNNSA-N 1 0 284.153 2.453 10 0 CEAERO CC[C@H]1C[NH2+][C@H](CC(C)C)CN1c1cnn(CCOC)c1 ZINC000086227269 179254749 /nfs/dbraw/zinc/25/47/49/179254749.db2.gz OJTMQLFPKUUHPW-CABCVRRESA-N 1 0 294.443 2.132 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)c1nsnc1Cl ZINC000086189845 179247551 /nfs/dbraw/zinc/24/75/51/179247551.db2.gz AGLJLEGCBNKBDQ-MRVPVSSYSA-N 1 0 260.794 2.112 10 0 CEAERO Cc1noc(CN2CC(C)(C)[NH2+]C[C@H]2c2ccccc2)n1 ZINC000086260266 179259244 /nfs/dbraw/zinc/25/92/44/179259244.db2.gz JZGJDIAKHZBEMX-AWEZNQCLSA-N 1 0 286.379 2.303 10 0 CEAERO Cc1cccc(CN2CC3(CCCC3)[NH2+]C[C@@H]2C)n1 ZINC000086261767 179260023 /nfs/dbraw/zinc/26/00/23/179260023.db2.gz PDJRGMRSIDOINY-AWEZNQCLSA-N 1 0 259.397 2.497 10 0 CEAERO CCC[C@H]1C[N@H+](C[C@@H](C)COC)[C@H](C(C)C)CN1 ZINC000086261022 179260041 /nfs/dbraw/zinc/26/00/41/179260041.db2.gz CXWBOKAPSTZWFF-ILXRZTDVSA-N 1 0 256.434 2.367 10 0 CEAERO CCC1(CC)CN(Cc2cnc(C)cn2)[C@H](C)C[NH2+]1 ZINC000086263089 179260623 /nfs/dbraw/zinc/26/06/23/179260623.db2.gz QLPKUFBRNUUKRK-CYBMUJFWSA-N 1 0 262.401 2.138 10 0 CEAERO Cc1ccc(CN2CC3(CCCC3)[NH2+]C[C@H]2C)cn1 ZINC000086263782 179261336 /nfs/dbraw/zinc/26/13/36/179261336.db2.gz ICGSCNTVDUXHHT-CQSZACIVSA-N 1 0 259.397 2.497 10 0 CEAERO CC1(C)CN(CCc2ccc3c(c2)OCCO3)CCC[NH2+]1 ZINC000086269671 179261851 /nfs/dbraw/zinc/26/18/51/179261851.db2.gz ONQDNXDVMGRLPL-UHFFFAOYSA-N 1 0 290.407 2.074 10 0 CEAERO COC[C@H](C)[N@@H+]1CCCN[C@@](C)(c2ccccc2)C1 ZINC000086269637 179262330 /nfs/dbraw/zinc/26/23/30/179262330.db2.gz NHUUSEWXNOLOLT-GOEBONIOSA-N 1 0 262.397 2.232 10 0 CEAERO CC[C@H]1C[NH2+]C(C)(C)CN1CCc1cscn1 ZINC000086265622 179262377 /nfs/dbraw/zinc/26/23/77/179262377.db2.gz ORKWRINZTWLUNC-LBPRGKRZSA-N 1 0 253.415 2.148 10 0 CEAERO C[C@H]1CN(c2nc(Br)cs2)C[C@H](C)[NH2+]1 ZINC000086278404 179262642 /nfs/dbraw/zinc/26/26/42/179262642.db2.gz FUPPPKNCKXZBDL-BQBZGAKWSA-N 1 0 276.203 2.092 10 0 CEAERO CN(C)c1ccc(N2CCC[NH2+][C@H](C3CC3)C2)cc1 ZINC000086287332 179264188 /nfs/dbraw/zinc/26/41/88/179264188.db2.gz FUOXUINOTIMQEJ-INIZCTEOSA-N 1 0 259.397 2.331 10 0 CEAERO Cn1cc(N2CCC[NH2+][C@@](C)(c3ccccc3)C2)cn1 ZINC000086287140 179264722 /nfs/dbraw/zinc/26/47/22/179264722.db2.gz JADUVYOOEVJNKD-MRXNPFEDSA-N 1 0 270.380 2.135 10 0 CEAERO CCc1oc(C(=O)N2CCN3CCCC[C@H]3C2)cc1C ZINC000129820893 365897777 /nfs/dbraw/zinc/89/77/77/365897777.db2.gz HRHOFRXCVHHHPL-ZDUSSCGKSA-N 1 0 276.380 2.461 10 0 CEAERO CN1C(=O)CCC[C@@H]([NH3+])[C@H]1c1ccc2ccccc2n1 ZINC000086317417 179270168 /nfs/dbraw/zinc/27/01/68/179270168.db2.gz JNYCWOVONSPKGI-WBMJQRKESA-N 1 0 269.348 2.246 10 0 CEAERO Cc1ncsc1CN1CCC[NH2+][C@](C)(C2CC2)C1 ZINC000086297141 179268027 /nfs/dbraw/zinc/26/80/27/179268027.db2.gz QSVQJJTYKONMST-AWEZNQCLSA-N 1 0 265.426 2.416 10 0 CEAERO CC[C@]1(C)CN(CCc2nccs2)CCC[NH2+]1 ZINC000086296842 179268187 /nfs/dbraw/zinc/26/81/87/179268187.db2.gz FUFPYBPGVKMRBQ-CYBMUJFWSA-N 1 0 253.415 2.150 10 0 CEAERO CC(C)C[C@H]1CN(CCc2nccs2)CCC[NH2+]1 ZINC000086296835 179268295 /nfs/dbraw/zinc/26/82/95/179268295.db2.gz MCZKYGBOKNDQPI-ZDUSSCGKSA-N 1 0 267.442 2.396 10 0 CEAERO CCC[C@@H]1CN(c2cnn(C(C)C)c2)CCC[NH2+]1 ZINC000086295916 179268408 /nfs/dbraw/zinc/26/84/08/179268408.db2.gz UUCCVUHQOSBFNQ-CYBMUJFWSA-N 1 0 250.390 2.432 10 0 CEAERO C[C@@H](c1nccs1)N1CCC[NH2+][C@H](C2CC2)C1 ZINC000086299899 179268741 /nfs/dbraw/zinc/26/87/41/179268741.db2.gz BSNBDNUBMHKDDH-JQWIXIFHSA-N 1 0 251.399 2.278 10 0 CEAERO CCCCC[C@H](C)[NH2+][C@H]1CC(=O)N(C(C)C)C1=O ZINC000103322080 185829327 /nfs/dbraw/zinc/82/93/27/185829327.db2.gz GNCMZQZUWDLGFW-RYUDHWBXSA-N 1 0 254.374 2.081 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000234430683 290826582 /nfs/dbraw/zinc/82/65/82/290826582.db2.gz NGKDQIPRHKBMPV-BBBLOLIVSA-N 1 0 266.307 2.079 10 0 CEAERO [NH3+][C@@H]1CC[C@H](OCc2ccc(Br)o2)C1 ZINC000086405837 179285831 /nfs/dbraw/zinc/28/58/31/179285831.db2.gz WFDPIBBDGJQYEC-SFYZADRCSA-N 1 0 260.131 2.439 10 0 CEAERO c1ncn(C[C@H]2CCC[N@H+](Cc3ccc4c[nH]nc4c3)C2)n1 ZINC000128626334 187380825 /nfs/dbraw/zinc/38/08/25/187380825.db2.gz CPOUDJAZSDNFOC-AWEZNQCLSA-N 1 0 296.378 2.067 10 0 CEAERO CC[C@H]1CN(c2nc3c(s2)CCC[C@@H]3[NH2+]C)CCO1 ZINC000086442761 179294046 /nfs/dbraw/zinc/29/40/46/179294046.db2.gz LSQVPHHKGZFBLE-QWRGUYRKSA-N 1 0 281.425 2.355 10 0 CEAERO CC[C@@H]1CN(c2nc3c(s2)CCC[C@@H]3O)CC[N@@H+]1C ZINC000086444814 179294773 /nfs/dbraw/zinc/29/47/73/179294773.db2.gz PGDATNFQKVMPNH-MNOVXSKESA-N 1 0 281.425 2.043 10 0 CEAERO CC[C@@H]1CN(C(=O)c2cc(OC)ccc2O)[C@@H](CC)C[NH2+]1 ZINC000086446219 179295115 /nfs/dbraw/zinc/29/51/15/179295115.db2.gz ORHXIHNGBUUXBX-NEPJUHHUSA-N 1 0 292.379 2.003 10 0 CEAERO CC[C@@H]1CN(C(=O)c2ccc(C)c(O)c2)[C@@H](CC)C[NH2+]1 ZINC000086446440 179295166 /nfs/dbraw/zinc/29/51/66/179295166.db2.gz HXNQXNPQMDEJSJ-KGLIPLIRSA-N 1 0 276.380 2.303 10 0 CEAERO Cc1ccc(-c2nc(CN3C[C@H](C)[NH2+]C[C@@H]3C)no2)cc1 ZINC000086470573 179300320 /nfs/dbraw/zinc/30/03/20/179300320.db2.gz FMNFBRVEFSOKCG-STQMWFEESA-N 1 0 286.379 2.227 10 0 CEAERO [NH2+]=C1NC[C@H](c2cccc(Br)c2)N1C1CC1 ZINC000086473051 179300512 /nfs/dbraw/zinc/30/05/12/179300512.db2.gz LKWLKBLVKMNVSC-LLVKDONJSA-N 1 0 280.169 2.283 10 0 CEAERO c1ccc2c(c1)C[C@H]2c1noc(C[C@@H]2CCC[NH2+]2)n1 ZINC000086486281 179301592 /nfs/dbraw/zinc/30/15/92/179301592.db2.gz MZSHPSUYLGIZON-WCQYABFASA-N 1 0 255.321 2.052 10 0 CEAERO [NH3+]CCCCCc1nc([C@H]2Cc3ccccc32)no1 ZINC000086486322 179301863 /nfs/dbraw/zinc/30/18/63/179301863.db2.gz MJTOYDKHYXCDNO-ZDUSSCGKSA-N 1 0 257.337 2.429 10 0 CEAERO CC(C)([NH3+])CCc1nc([C@H]2Cc3ccccc32)no1 ZINC000086486521 179302046 /nfs/dbraw/zinc/30/20/46/179302046.db2.gz QDLNFLRONXMPQD-LBPRGKRZSA-N 1 0 257.337 2.428 10 0 CEAERO CC[C@]1(c2nc([C@H]3Cc4ccccc43)no2)CC[NH2+]C1 ZINC000086486348 179302051 /nfs/dbraw/zinc/30/20/51/179302051.db2.gz BJBYZOZKCCYQRH-BBRMVZONSA-N 1 0 269.348 2.399 10 0 CEAERO CNC(=O)[C@H]1C[C@H](c2cc(C)c(C)cc2C)CC[NH2+]1 ZINC000086492922 179302686 /nfs/dbraw/zinc/30/26/86/179302686.db2.gz UCJGGKQZINJPQW-UKRRQHHQSA-N 1 0 260.381 2.193 10 0 CEAERO C[C@@]1(c2cc(F)c(Cl)cc2Cl)CNC(=[NH2+])N1 ZINC000086457659 179296275 /nfs/dbraw/zinc/29/62/75/179296275.db2.gz NRXLOZNPBDMBFQ-JTQLQIEISA-N 1 0 262.115 2.266 10 0 CEAERO CC[C@@H]1CN(CC(=O)N(C)C2CCCCC2)[C@@H](CC)C[NH2+]1 ZINC000086464109 179296372 /nfs/dbraw/zinc/29/63/72/179296372.db2.gz DXGCFXJULBBNJR-CABCVRRESA-N 1 0 295.471 2.240 10 0 CEAERO CCN1C(=[NH2+])NC[C@@H]1c1ccc(Br)cc1 ZINC000086458926 179296390 /nfs/dbraw/zinc/29/63/90/179296390.db2.gz AXCBPPIGRXFDSW-SNVBAGLBSA-N 1 0 268.158 2.140 10 0 CEAERO CC[C@H]1CN(Cc2nc(C)c(C)o2)[C@@H](CC)C[NH2+]1 ZINC000086465285 179296908 /nfs/dbraw/zinc/29/69/08/179296908.db2.gz DFXWETYDELHGQS-STQMWFEESA-N 1 0 251.374 2.254 10 0 CEAERO CCCn1cc(Cl)cc1C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000086467722 179297631 /nfs/dbraw/zinc/29/76/31/179297631.db2.gz VWSKIZRLTYMNTR-QWRGUYRKSA-N 1 0 283.803 2.374 10 0 CEAERO COc1cc(Cl)ccc1C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000086467836 179298047 /nfs/dbraw/zinc/29/80/47/179298047.db2.gz CUNOGNKCFYXCQY-VHSXEESVSA-N 1 0 282.771 2.171 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000086467928 179298708 /nfs/dbraw/zinc/29/87/08/179298708.db2.gz XGTJEWOVTMSBDU-JCWGXCKPSA-N 1 0 276.424 2.412 10 0 CEAERO COc1ccc([C@H](C[NH3+])N2CCCO[C@@H](C)C2)cc1Cl ZINC000086595104 179310766 /nfs/dbraw/zinc/31/07/66/179310766.db2.gz LDCDELIAOBBITF-FZMZJTMJSA-N 1 0 298.814 2.459 10 0 CEAERO CS(=O)(=O)C1(C[NH2+]C2CC2)CC2(C1)CCCCC2 ZINC000086538012 179306557 /nfs/dbraw/zinc/30/65/57/179306557.db2.gz LUZWWJCLNICBIQ-UHFFFAOYSA-N 1 0 271.426 2.266 10 0 CEAERO Cn1c(Cc2ccncc2)nc2cc(C[NH3+])ccc21 ZINC000086637610 179315056 /nfs/dbraw/zinc/31/50/56/179315056.db2.gz RYFWUZCMZFHLRM-UHFFFAOYSA-N 1 0 252.321 2.018 10 0 CEAERO COC[C@@H]([NH2+][C@@H]1CCS(=O)(=O)c2ccccc21)C(C)C ZINC000086696934 179320591 /nfs/dbraw/zinc/32/05/91/179320591.db2.gz RGJMENLUVMSLHO-ZIAGYGMSSA-N 1 0 297.420 2.166 10 0 CEAERO COC[C@@H]([NH2+]C[C@@H](O)c1cc(C)ccc1OC)C(C)C ZINC000086700380 179321744 /nfs/dbraw/zinc/32/17/44/179321744.db2.gz VVEIRWLLHUWMJU-HUUCEWRRSA-N 1 0 281.396 2.298 10 0 CEAERO CC(C)[NH+]1CCC(O)([C@@H]2Cc3ccccc3N2)CC1 ZINC000086648489 179316438 /nfs/dbraw/zinc/31/64/38/179316438.db2.gz MCXXQONPQPJIIY-HNNXBMFYSA-N 1 0 260.381 2.259 10 0 CEAERO OC1([C@@H]2[NH2+]Cc3ccccc32)Cc2ccccc2C1 ZINC000086666376 179317208 /nfs/dbraw/zinc/31/72/08/179317208.db2.gz ZDEJEGZOGAETRJ-MRXNPFEDSA-N 1 0 251.329 2.361 10 0 CEAERO CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]2S(C)(=O)=O)c1 ZINC000086674763 179318759 /nfs/dbraw/zinc/31/87/59/179318759.db2.gz SLAVSYXJIQPIRI-CABCVRRESA-N 1 0 297.420 2.141 10 0 CEAERO Cc1cnc(C)c(N2CCC([NH2+]CC3CC3)CC2)n1 ZINC000130250009 365937901 /nfs/dbraw/zinc/93/79/01/365937901.db2.gz UDKWVLHUGRJRSV-UHFFFAOYSA-N 1 0 260.385 2.062 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1S(C)(=O)=O)C1CCCC1 ZINC000086676142 179319595 /nfs/dbraw/zinc/31/95/95/179319595.db2.gz GWJSRPIHBDPGIU-RTXFEEFZSA-N 1 0 259.415 2.120 10 0 CEAERO CC(C)CC1(C(=O)NC[C@@H]2CN(C)CCO2)CCCC1 ZINC000130279351 365940407 /nfs/dbraw/zinc/94/04/07/365940407.db2.gz HVJQVGJDQDEGKQ-CQSZACIVSA-N 1 0 282.428 2.040 10 0 CEAERO CCC[NH+]1CCC([N@@H+]2CCC[C@H](CC(=O)[O-])C2)CC1 ZINC000086757055 179323775 /nfs/dbraw/zinc/32/37/75/179323775.db2.gz LKTXELNNEHHMEA-CYBMUJFWSA-N 1 0 268.401 2.048 10 0 CEAERO C[C@H]1CC[C@@H](C(=O)Nc2cccc(C[NH+](C)C)c2)O1 ZINC000130422163 365954229 /nfs/dbraw/zinc/95/42/29/365954229.db2.gz QAPXZIURLQOCNQ-FZMZJTMJSA-N 1 0 262.353 2.254 10 0 CEAERO C[C@H]1CC[C@H](C[NH3+])CN1Cc1cnc(Cl)s1 ZINC000086777913 179330078 /nfs/dbraw/zinc/33/00/78/179330078.db2.gz CZCCDQISYWUZSP-DTWKUNHWSA-N 1 0 259.806 2.356 10 0 CEAERO CC(C)C1CCC(C[NH3+])(O[C@@H]2CCCCNC2=O)CC1 ZINC000086713550 179322640 /nfs/dbraw/zinc/32/26/40/179322640.db2.gz WCQRLQVERDYZAC-NPCAHTBFSA-N 1 0 282.428 2.215 10 0 CEAERO C[C@H](O[C@]1(C[NH3+])CCC[C@@H](C)C1)C(=O)NC(C)(C)C ZINC000086712347 179323009 /nfs/dbraw/zinc/32/30/09/179323009.db2.gz QJFMUXJLJJSQTJ-TYNCELHUSA-N 1 0 270.417 2.214 10 0 CEAERO CC[C@@](C)([NH3+])C(=O)N(C)Cc1ccc(Cl)s1 ZINC000086803392 179337270 /nfs/dbraw/zinc/33/72/70/179337270.db2.gz AXGBDWJMIQWSQE-LLVKDONJSA-N 1 0 260.790 2.487 10 0 CEAERO CC[C@](C)([NH3+])C(=O)NCc1ccccc1Br ZINC000086804938 179338149 /nfs/dbraw/zinc/33/81/49/179338149.db2.gz CKJMDPYIAFUWJE-LBPRGKRZSA-N 1 0 285.185 2.193 10 0 CEAERO COC(=O)[C@@]1(Nc2ccccc2C)CCC[N@H+](C)CC1 ZINC000086819813 179347890 /nfs/dbraw/zinc/34/78/90/179347890.db2.gz FZKMNVFYKYYNME-MRXNPFEDSA-N 1 0 276.380 2.434 10 0 CEAERO C[N@@H+]1CCC[C@@H](Nc2cc(C(N)=O)ccc2Cl)CC1 ZINC000086817652 179345747 /nfs/dbraw/zinc/34/57/47/179345747.db2.gz VFPFBLCAJZNMOJ-LLVKDONJSA-N 1 0 281.787 2.335 10 0 CEAERO Cc1nccn1-c1ccc(N[C@H]2CCC[N@@H+](C)CC2)cn1 ZINC000086818536 179346631 /nfs/dbraw/zinc/34/66/31/179346631.db2.gz QLYNCILQHAWAJS-AWEZNQCLSA-N 1 0 285.395 2.472 10 0 CEAERO C[N@@H+]1CCC[C@H]([NH+]2CCCC[C@@H]2CCC(=O)[O-])CC1 ZINC000086834513 179350274 /nfs/dbraw/zinc/35/02/74/179350274.db2.gz JYUBPXAPTJSUAK-KGLIPLIRSA-N 1 0 268.401 2.190 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2ccc(C(N)=O)cc2)CC1 ZINC000086835250 179350314 /nfs/dbraw/zinc/35/03/14/179350314.db2.gz WASFAOOBZKJFCL-CYBMUJFWSA-N 1 0 261.369 2.072 10 0 CEAERO CC[N@@H+]1CCC[C@H](Nc2ccccc2S(C)(=O)=O)CC1 ZINC000086839219 179352024 /nfs/dbraw/zinc/35/20/24/179352024.db2.gz HFSUGQHRTLHFRF-ZDUSSCGKSA-N 1 0 296.436 2.376 10 0 CEAERO CCC[N@@H+]1CCC[C@H](NCc2nccs2)CC1 ZINC000086842593 179352680 /nfs/dbraw/zinc/35/26/80/179352680.db2.gz BXEKPCMOJHTDKJ-LBPRGKRZSA-N 1 0 253.415 2.497 10 0 CEAERO CCC[N@@H+]1CCC[C@@H](NCc2ccnc(C)n2)CC1 ZINC000086842084 179353107 /nfs/dbraw/zinc/35/31/07/179353107.db2.gz ARXPMLTUMCFYLX-CQSZACIVSA-N 1 0 262.401 2.139 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2cccc(S(C)(=O)=O)c2)CC1 ZINC000086841130 179354025 /nfs/dbraw/zinc/35/40/25/179354025.db2.gz YLKFGYRVPSXBQP-CYBMUJFWSA-N 1 0 296.436 2.376 10 0 CEAERO Cc1cnc(CN[C@@H]2CCC[N@@H+](C(C)C)CC2)cn1 ZINC000086844436 179354463 /nfs/dbraw/zinc/35/44/63/179354463.db2.gz CCEWWUYOORLCAE-CQSZACIVSA-N 1 0 262.401 2.138 10 0 CEAERO COC(=O)C[C@](C)([NH3+])c1cccc(Br)c1 ZINC000086851385 179359563 /nfs/dbraw/zinc/35/95/63/179359563.db2.gz UHIZITNIIWWFHB-NSHDSACASA-N 1 0 272.142 2.186 10 0 CEAERO CC[N@@H+]1CCC[C@](O)(Cc2ccn(C(C)C)n2)CC1 ZINC000086851959 179359604 /nfs/dbraw/zinc/35/96/04/179359604.db2.gz KWIJRHYKLMBXFK-OAHLLOKOSA-N 1 0 265.401 2.243 10 0 CEAERO COC(=O)C[C@](C)([NH3+])c1ccc(F)c(Br)c1 ZINC000086851402 179359665 /nfs/dbraw/zinc/35/96/65/179359665.db2.gz STNJSSNVGIWKBU-NSHDSACASA-N 1 0 290.132 2.325 10 0 CEAERO CC[N@@H+]1CCC[C@@](CO)(NCc2cccs2)CC1 ZINC000086868246 179360185 /nfs/dbraw/zinc/36/01/85/179360185.db2.gz FUQFYMMMUQNLKZ-CQSZACIVSA-N 1 0 268.426 2.075 10 0 CEAERO CCn1cc(C[C@]2(O)CCC[N@@H+](C(C)C)CC2)cn1 ZINC000086867703 179360852 /nfs/dbraw/zinc/36/08/52/179360852.db2.gz HKTBQYQRBKQKFH-HNNXBMFYSA-N 1 0 265.401 2.071 10 0 CEAERO CC(C)[N@@H+]1CCC[C@@H]([NH+]2CC[C@@](C)(C(=O)[O-])C2)CC1 ZINC000086869104 179361492 /nfs/dbraw/zinc/36/14/92/179361492.db2.gz LYGYVAFQHCINHS-UKRRQHHQSA-N 1 0 268.401 2.046 10 0 CEAERO CC[N@@H+]1CCC[C@@](NCc2ccccc2)(C(=O)OC)CC1 ZINC000086849889 179358296 /nfs/dbraw/zinc/35/82/96/179358296.db2.gz UDMXMCDNPYAGPM-KRWDZBQOSA-N 1 0 290.407 2.194 10 0 CEAERO CC[C@@H](C)[NH2+][C@@]1(C(=O)[O-])CCC[N@@H+](C(C)C)CC1 ZINC000086850483 179358647 /nfs/dbraw/zinc/35/86/47/179358647.db2.gz KEVBEDFKHRUWCV-OCCSQVGLSA-N 1 0 256.390 2.092 10 0 CEAERO CCS(=O)(=O)CCC[C@]1([NH3+])CCC[C@H](C2CC2)C1 ZINC000086977475 179372651 /nfs/dbraw/zinc/37/26/51/179372651.db2.gz SJCKJLTYCZQGEZ-UONOGXRCSA-N 1 0 273.442 2.499 10 0 CEAERO CCS(=O)(=O)CCC[C@]1([NH3+])CCC[C@@H](C)[C@@H]1C ZINC000086977511 179372800 /nfs/dbraw/zinc/37/28/00/179372800.db2.gz MKMKRXIZULMZKP-FRRDWIJNSA-N 1 0 261.431 2.355 10 0 CEAERO CC[C@H]([NH3+])Cc1cccc(OCCCS(=O)(=O)CC)c1 ZINC000086980037 179373058 /nfs/dbraw/zinc/37/30/58/179373058.db2.gz NLPLZEITWDEDJU-AWEZNQCLSA-N 1 0 299.436 2.170 10 0 CEAERO CCC[NH2+][C@@H]1CC[C@@H](CCCS(=O)(=O)CC)C1 ZINC000086981706 179373255 /nfs/dbraw/zinc/37/32/55/179373255.db2.gz VBXFKXHBYIUGAI-CHWSQXEVSA-N 1 0 261.431 2.370 10 0 CEAERO COC(=O)[C@@]1([NH2+]C2CCCCCC2)CCCOCC1 ZINC000086876698 179365437 /nfs/dbraw/zinc/36/54/37/179365437.db2.gz LMAGCGHZZXRIOZ-OAHLLOKOSA-N 1 0 269.385 2.411 10 0 CEAERO COc1ccc([C@H](C[NH3+])N(C)[C@@H]2CCSC2)cc1F ZINC000086983558 179373648 /nfs/dbraw/zinc/37/36/48/179373648.db2.gz LGSBYCJLMRXRLQ-YPMHNXCESA-N 1 0 284.400 2.271 10 0 CEAERO CC1(C)CCC[C@@]([NH3+])(CCCS(C)(=O)=O)CC1 ZINC000086898118 179366973 /nfs/dbraw/zinc/36/69/73/179366973.db2.gz MFSZIRLZSRSTOX-CYBMUJFWSA-N 1 0 261.431 2.499 10 0 CEAERO CC[C@@H]1CCC[C@](C[NH3+])(N2CCOC[C@@H]2C)CC1 ZINC000086911016 179367360 /nfs/dbraw/zinc/36/73/60/179367360.db2.gz OTRYDMXIKNHDLU-ZNMIVQPWSA-N 1 0 254.418 2.395 10 0 CEAERO COC(=O)[C@@]1(NCC[NH+](C)C)CCC[C@@H](C(C)C)CC1 ZINC000086949895 179368917 /nfs/dbraw/zinc/36/89/17/179368917.db2.gz WXDMLHAHNZGGRH-GDBMZVCRSA-N 1 0 284.444 2.286 10 0 CEAERO C[NH2+][C@H](Cc1nccs1)[C@@H]1CSCCS1 ZINC000086984904 179373724 /nfs/dbraw/zinc/37/37/24/179373724.db2.gz JOAKLESPQUYJOB-BDAKNGLRSA-N 1 0 260.453 2.122 10 0 CEAERO COCCCc1nc(C)c(CC[NH2+]C(C)C)c(C)n1 ZINC000086971568 179370551 /nfs/dbraw/zinc/37/05/51/179370551.db2.gz UFCCSMCLPLAWTG-UHFFFAOYSA-N 1 0 265.401 2.213 10 0 CEAERO CCS(=O)(=O)CCCOc1ccc2c(c1)CCC[C@@H]2[NH3+] ZINC000086972955 179371232 /nfs/dbraw/zinc/37/12/32/179371232.db2.gz QFAMOAJVTZLPAV-HNNXBMFYSA-N 1 0 297.420 2.226 10 0 CEAERO CCC1CCC(C[NH3+])(OCCCS(=O)(=O)CC)CC1 ZINC000086972367 179371598 /nfs/dbraw/zinc/37/15/98/179371598.db2.gz FQEUKXVTSDFVJB-UHFFFAOYSA-N 1 0 291.457 2.126 10 0 CEAERO CCS(=O)(=O)CCCOc1ccc2c(c1)CCC[C@H]2[NH3+] ZINC000086972958 179371633 /nfs/dbraw/zinc/37/16/33/179371633.db2.gz QFAMOAJVTZLPAV-OAHLLOKOSA-N 1 0 297.420 2.226 10 0 CEAERO CCS(=O)(=O)CCC[C@](C)([NH3+])c1ccccc1OC ZINC000086977390 179372136 /nfs/dbraw/zinc/37/21/36/179372136.db2.gz OLORAGKLVFTLHB-AWEZNQCLSA-N 1 0 285.409 2.084 10 0 CEAERO C[NH2+][C@H](Cc1ccncc1)[C@H]1CSCCS1 ZINC000086985086 179374163 /nfs/dbraw/zinc/37/41/63/179374163.db2.gz TWMKXVMEIUMLRK-VXGBXAGGSA-N 1 0 254.424 2.061 10 0 CEAERO CCn1nccc1[C@H]([NH2+]C)[C@H]1CSCCS1 ZINC000086984813 179374216 /nfs/dbraw/zinc/37/42/16/179374216.db2.gz USRAECFTUZKURR-MNOVXSKESA-N 1 0 257.428 2.012 10 0 CEAERO COc1ccc([C@H]2[C@@H]([NH3+])CC(=O)N2C(C)(C)C)cc1F ZINC000086995277 179376180 /nfs/dbraw/zinc/37/61/80/179376180.db2.gz KEXVHBIRTFJPMA-FZMZJTMJSA-N 1 0 280.343 2.234 10 0 CEAERO COc1ccc([C@@H]2[C@@H]([NH3+])CC(=O)N2CC(C)C)cc1F ZINC000086995285 179376306 /nfs/dbraw/zinc/37/63/06/179376306.db2.gz ARWQQVVLXGJVPO-SWLSCSKDSA-N 1 0 280.343 2.091 10 0 CEAERO C[C@H]1C[C@H]([NH3+])CN(C(=O)c2ccc(Cl)s2)C1 ZINC000087040609 179387173 /nfs/dbraw/zinc/38/71/73/179387173.db2.gz KUELAYWWUVJZTR-YUMQZZPRSA-N 1 0 258.774 2.211 10 0 CEAERO CCC1CCC(O)(C[NH2+]CC2CCOCC2)CC1 ZINC000087053203 179388834 /nfs/dbraw/zinc/38/88/34/179388834.db2.gz TWBKMMRRXVUVLC-UHFFFAOYSA-N 1 0 255.402 2.334 10 0 CEAERO CC[C@H]1C[NH2+]C[C@@H](c2ccc(OC)c(OC)c2OC)O1 ZINC000087090153 179394225 /nfs/dbraw/zinc/39/42/25/179394225.db2.gz KLEMKDHVFCMPEM-GWCFXTLKSA-N 1 0 281.352 2.152 10 0 CEAERO [NH3+]C[C@@H]1CC[C@@H](COCc2cccc(Cl)c2)O1 ZINC000087095774 179394233 /nfs/dbraw/zinc/39/42/33/179394233.db2.gz KGVGOOGBXLWUOD-STQMWFEESA-N 1 0 255.745 2.363 10 0 CEAERO CC[C@@H]1C[NH2+]C[C@@H](c2ccc(OC)c(OC)c2OC)O1 ZINC000087090152 179394353 /nfs/dbraw/zinc/39/43/53/179394353.db2.gz KLEMKDHVFCMPEM-MFKMUULPSA-N 1 0 281.352 2.152 10 0 CEAERO COc1ccc([C@H]2C[NH2+]CC(C)(C)O2)c(OC)c1OC ZINC000087090370 179394457 /nfs/dbraw/zinc/39/44/57/179394457.db2.gz QUQKOSXJRGYTMH-GFCCVEGCSA-N 1 0 281.352 2.152 10 0 CEAERO CCSCc1noc(C[C@@H]([NH2+]C)C(C)(C)C)n1 ZINC000087106653 179394687 /nfs/dbraw/zinc/39/46/87/179394687.db2.gz BEVPWPBTBUKTMG-SECBINFHSA-N 1 0 257.403 2.499 10 0 CEAERO CC(C)SCc1noc([C@]2(C)CCC[NH2+]C2)n1 ZINC000087108591 179395794 /nfs/dbraw/zinc/39/57/94/179395794.db2.gz SDZKHJMCXBQPHC-GFCCVEGCSA-N 1 0 255.387 2.352 10 0 CEAERO CC(C)(C)SCc1noc(C[C@@H]2CCC[NH2+]2)n1 ZINC000087115664 179395797 /nfs/dbraw/zinc/39/57/97/179395797.db2.gz ZPSDAWDQCNXZFL-VIFPVBQESA-N 1 0 255.387 2.396 10 0 CEAERO C[NH2+][C@H](Cc1nc(CSC(C)C)no1)C(C)C ZINC000087115308 179395685 /nfs/dbraw/zinc/39/56/85/179395685.db2.gz DAPPMVVEFCZFSR-SNVBAGLBSA-N 1 0 257.403 2.498 10 0 CEAERO CCCSCc1nc(C)c(C[NH2+]CCOC)c(C)n1 ZINC000087108248 179395724 /nfs/dbraw/zinc/39/57/24/179395724.db2.gz RAUWECLBVJTOKK-UHFFFAOYSA-N 1 0 283.441 2.473 10 0 CEAERO CCCC1(C(=O)NCC2(O)CCCCCC2)CC[NH2+]CC1 ZINC000087089829 179393300 /nfs/dbraw/zinc/39/33/00/179393300.db2.gz GLDBCIPSQPVLAA-UHFFFAOYSA-N 1 0 296.455 2.358 10 0 CEAERO [NH3+]CCc1ccccc1C(=O)NCC1(O)CCCCCC1 ZINC000087089863 179393448 /nfs/dbraw/zinc/39/34/48/179393448.db2.gz WMWNOVMKCGDTHV-UHFFFAOYSA-N 1 0 290.407 2.003 10 0 CEAERO CCOc1cc2c(cc1[C@@H]1C[NH2+]C[C@@H](C)O1)O[C@H](C)C2 ZINC000087090121 179394075 /nfs/dbraw/zinc/39/40/75/179394075.db2.gz AWBVVFUESIPLCM-UVWXRNBGSA-N 1 0 277.364 2.458 10 0 CEAERO CC[NH2+][C@@H](COC)Cc1nc(CSC(C)(C)C)no1 ZINC000087120508 179396429 /nfs/dbraw/zinc/39/64/29/179396429.db2.gz OAGPYSZXGGYBCZ-SNVBAGLBSA-N 1 0 287.429 2.268 10 0 CEAERO C[NH2+][C@H](CSC1CCCC1)Cc1cnccc1N ZINC000087144875 179397117 /nfs/dbraw/zinc/39/71/17/179397117.db2.gz IEWPXJIVCXRMBX-LBPRGKRZSA-N 1 0 265.426 2.470 10 0 CEAERO c1ccc(SCc2noc([C@H]3C[NH2+]CCO3)n2)cc1 ZINC000087161503 179397918 /nfs/dbraw/zinc/39/79/18/179397918.db2.gz UFTYVBHJXAHKLO-LLVKDONJSA-N 1 0 277.349 2.023 10 0 CEAERO Nc1ncccc1C[C@H]([NH3+])CSc1ccccc1 ZINC000087162004 179398275 /nfs/dbraw/zinc/39/82/75/179398275.db2.gz LLTBMBAHDKDHFS-LBPRGKRZSA-N 1 0 259.378 2.326 10 0 CEAERO CCN1CCC[C@H]([NH2+]Cc2nc3ccccc3n2C)C1 ZINC000066989202 362897278 /nfs/dbraw/zinc/89/72/78/362897278.db2.gz MRGSXLATZMKKFA-ZDUSSCGKSA-N 1 0 272.396 2.147 10 0 CEAERO C[C@@H]1CCC[C@@](CO)([NH2+]CCC[C@@H]2CCCO2)C1 ZINC000087247913 179405233 /nfs/dbraw/zinc/40/52/33/179405233.db2.gz XFQPPDYLCUKQAL-RBSFLKMASA-N 1 0 255.402 2.476 10 0 CEAERO [NH3+]C[C@H](c1ccc(Cl)cc1)[C@@H](O)C1CCOCC1 ZINC000087351821 179415621 /nfs/dbraw/zinc/41/56/21/179415621.db2.gz TVTSOYJHYCMGGP-KGLIPLIRSA-N 1 0 269.772 2.170 10 0 CEAERO C[C@H](CCC[NH3+])Nc1ncccc1Br ZINC000087362182 179416023 /nfs/dbraw/zinc/41/60/23/179416023.db2.gz RAKWYFXTEAZUSK-MRVPVSSYSA-N 1 0 258.163 2.383 10 0 CEAERO [NH3+]C[C@H](c1cccs1)[C@H](O)CCc1ccco1 ZINC000087374727 179416980 /nfs/dbraw/zinc/41/69/80/179416980.db2.gz UOTYFPDDTMCESS-NWDGAFQWSA-N 1 0 251.351 2.377 10 0 CEAERO CC(C)[C@@H](C[NH3+])NC(=O)c1cc(Cl)cn1C(C)C ZINC000087403671 179419501 /nfs/dbraw/zinc/41/95/01/179419501.db2.gz UIPAPAIVEFZIKG-LLVKDONJSA-N 1 0 271.792 2.436 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccn(C)c1C ZINC000248659576 539638467 /nfs/dbraw/zinc/63/84/67/539638467.db2.gz CPIFUFXPGHLZFC-KGLIPLIRSA-N 1 0 275.396 2.032 10 0 CEAERO [NH3+]CCOc1cccc(Nc2nc(C3CC3)ns2)c1 ZINC000087642535 179462503 /nfs/dbraw/zinc/46/25/03/179462503.db2.gz WYALBEPOFOWWNT-UHFFFAOYSA-N 1 0 276.365 2.497 10 0 CEAERO CCCN(c1nc(C2CC2)ns1)[C@@H]1CCC[NH2+]C1 ZINC000087642708 179462541 /nfs/dbraw/zinc/46/25/41/179462541.db2.gz ASYXWDKNAJBJQD-LLVKDONJSA-N 1 0 266.414 2.384 10 0 CEAERO CCCc1nsc(N2CCCC[C@H]2CC[NH2+]C)n1 ZINC000087642817 179462675 /nfs/dbraw/zinc/46/26/75/179462675.db2.gz GDICZSJZPZPLCJ-NSHDSACASA-N 1 0 268.430 2.459 10 0 CEAERO CCCc1nsc(N2CCCC[C@@H]2[C@@H](C)[NH3+])n1 ZINC000087642608 179462690 /nfs/dbraw/zinc/46/26/90/179462690.db2.gz OHYHLASXKCBDKL-NXEZZACHSA-N 1 0 254.403 2.197 10 0 CEAERO [NH3+][C@@H]1CC[C@](O)(Cc2ccc(F)cc2Br)C1 ZINC000087654461 179464218 /nfs/dbraw/zinc/46/42/18/179464218.db2.gz NXIQOARRKJLVPI-PWSUYJOCSA-N 1 0 288.160 2.373 10 0 CEAERO CNC(=O)c1ccc(NC(=O)[C@@H](C)CCC[C@@H](C)[NH3+])cc1 ZINC000087686116 179470258 /nfs/dbraw/zinc/47/02/58/179470258.db2.gz MDCIKBVLRJKGGG-NWDGAFQWSA-N 1 0 291.395 2.138 10 0 CEAERO CC(C)(CC[NH3+])CCC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000087696437 179471669 /nfs/dbraw/zinc/47/16/69/179471669.db2.gz ZNPKMAXLDOVHJF-UONOGXRCSA-N 1 0 282.428 2.312 10 0 CEAERO Cc1cccc(CNC(=O)[C@@H](C)CCC[C@@H](C)[NH3+])n1 ZINC000087701309 179472717 /nfs/dbraw/zinc/47/27/17/179472717.db2.gz HMWYMXAEKHGYJI-NWDGAFQWSA-N 1 0 263.385 2.160 10 0 CEAERO CCO[C@@H](C)c1nc(C)c(C[C@@H](C)C[NH3+])c(C)n1 ZINC000087707004 179474001 /nfs/dbraw/zinc/47/40/01/179474001.db2.gz CPWMUJAFIVLHQQ-SKDRFNHKSA-N 1 0 251.374 2.328 10 0 CEAERO C[NH2+]C[C@@H](C)Cc1c(C)nc(Cc2ccncc2)nc1C ZINC000087707129 179475179 /nfs/dbraw/zinc/47/51/79/179475179.db2.gz PORRLJSZXSGGKS-LBPRGKRZSA-N 1 0 284.407 2.477 10 0 CEAERO COc1ccc([C@@](O)([C@H](C)[NH3+])C(F)(F)F)c(C)c1 ZINC000087753610 179482141 /nfs/dbraw/zinc/48/21/41/179482141.db2.gz CCFWNVZRLOJZCW-KWQFWETISA-N 1 0 263.259 2.101 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)Nc1cccc(Cl)c1N(C)C ZINC000087516565 179438584 /nfs/dbraw/zinc/43/85/84/179438584.db2.gz QFKGQLCDKIKAFI-VIFPVBQESA-N 1 0 269.776 2.329 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)Nc1cccc(OCCOC)c1 ZINC000087523499 179440076 /nfs/dbraw/zinc/44/00/76/179440076.db2.gz GKOJBFPSUVTYSQ-LBPRGKRZSA-N 1 0 280.368 2.025 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)N(Cc1ccc(OC)cc1)C1CC1 ZINC000087524687 179440593 /nfs/dbraw/zinc/44/05/93/179440593.db2.gz SCZTXZOMTNXCJC-ZDUSSCGKSA-N 1 0 276.380 2.171 10 0 CEAERO CC(C)[C@H](C[NH3+])C(=O)NCc1cc2c(s1)CCC2 ZINC000087530900 179441901 /nfs/dbraw/zinc/44/19/01/179441901.db2.gz URHSQKRIHJZWNP-LBPRGKRZSA-N 1 0 266.410 2.084 10 0 CEAERO CC(C)[C@@H](C[NH3+])C(=O)N[C@@H](C)Cc1ccsc1 ZINC000087533117 179442547 /nfs/dbraw/zinc/44/25/47/179442547.db2.gz XLSINSWYJNEHAH-CMPLNLGQSA-N 1 0 254.399 2.026 10 0 CEAERO CC[C@H](C)[C@@H](CS(=O)(=O)c1cccs1)[NH2+]C ZINC000087539890 179443603 /nfs/dbraw/zinc/44/36/03/179443603.db2.gz JXXDVAMXGSMCNK-VHSXEESVSA-N 1 0 261.412 2.156 10 0 CEAERO C[NH2+]C1(CC(=O)N[C@@]2(CO)CCC[C@@H](C)C2)CCCCC1 ZINC000087577742 179449313 /nfs/dbraw/zinc/44/93/13/179449313.db2.gz PFYIXQMRURAANI-PBHICJAKSA-N 1 0 296.455 2.356 10 0 CEAERO CC(C)[N@@H+]1CCOC[C@@H](c2ccc3ccnnc3c2)C1 ZINC000616660537 348551660 /nfs/dbraw/zinc/55/16/60/348551660.db2.gz LZCVBEKNKWOKSH-HNNXBMFYSA-N 1 0 271.364 2.454 10 0 CEAERO CCOC(=O)c1ccccc1[C@H]1CCCC[N@H+](CCO)C1 ZINC000616629919 348540361 /nfs/dbraw/zinc/54/03/61/348540361.db2.gz WLAFCDVQYJJLTC-AWEZNQCLSA-N 1 0 291.391 2.425 10 0 CEAERO CC(=O)Nc1cccc([C@@H]2C[NH2+]CCN2C(C)(C)C)c1 ZINC000616636514 348542204 /nfs/dbraw/zinc/54/22/04/348542204.db2.gz CPPQZMPIXFGFNK-HNNXBMFYSA-N 1 0 275.396 2.390 10 0 CEAERO C[NH2+]C[C@@H]1CC[C@@H]1n1nc(C)c(Br)c1C ZINC000087923538 179524148 /nfs/dbraw/zinc/52/41/48/179524148.db2.gz OVUBKILOZQGASC-UWVGGRQHSA-N 1 0 272.190 2.433 10 0 CEAERO Cc1nnc(S[C@@H](c2cccc(F)c2)[C@@H](C)[NH3+])n1C ZINC000104184523 185918409 /nfs/dbraw/zinc/91/84/09/185918409.db2.gz NILFYHBSPQPUBC-PRHODGIISA-N 1 0 280.372 2.443 10 0 CEAERO CC(C)[C@H](CNC(=O)Cc1cccc(N)c1)[NH+]1CCCC1 ZINC000087845951 179499628 /nfs/dbraw/zinc/49/96/28/179499628.db2.gz WAWZNRGIOMYKLU-INIZCTEOSA-N 1 0 289.423 2.048 10 0 CEAERO CC(C)[C@@H](C[NH3+])c1nc([C@@H]2COc3ccccc3O2)no1 ZINC000087855783 179501827 /nfs/dbraw/zinc/50/18/27/179501827.db2.gz ZNNVBFWYOHGVBD-MFKMUULPSA-N 1 0 289.335 2.280 10 0 CEAERO CC(C)=CC(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H]([NH3+])C1 ZINC000616569782 348523575 /nfs/dbraw/zinc/52/35/75/348523575.db2.gz KEKQDCDKHUZGNN-GJZGRUSLSA-N 1 0 276.355 2.435 10 0 CEAERO CC(C)=CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000616569798 348523660 /nfs/dbraw/zinc/52/36/60/348523660.db2.gz KHAAPPJMKUWTHJ-HUUCEWRRSA-N 1 0 258.365 2.215 10 0 CEAERO COc1cccc(C[C@@H]([NH3+])[C@H]2COc3ccccc3O2)c1 ZINC000087859332 179503374 /nfs/dbraw/zinc/50/33/74/179503374.db2.gz GSVFHJFMYWPRJE-RHSMWYFYSA-N 1 0 285.343 2.405 10 0 CEAERO CC1(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)CC1 ZINC000616572025 348524364 /nfs/dbraw/zinc/52/43/64/348524364.db2.gz SQLRQMFTYGATMH-UONOGXRCSA-N 1 0 276.355 2.188 10 0 CEAERO [NH3+]CCN1c2ccccc2NC[C@H]1c1cccc(CCO)c1 ZINC000616585769 348527010 /nfs/dbraw/zinc/52/70/10/348527010.db2.gz SLFNEXIOVVFNHI-SFHVURJKSA-N 1 0 297.402 2.153 10 0 CEAERO CSc1nc(O[C@H]2CCC[C@@H](C)C2)cc(NN)[nH+]1 ZINC000087877399 179507709 /nfs/dbraw/zinc/50/77/09/179507709.db2.gz HIQCVZRHFPEESY-BDAKNGLRSA-N 1 0 268.386 2.442 10 0 CEAERO CC[N@@H+]1CCOC[C@@H](c2cccc3nnccc32)C1 ZINC000616599500 348530416 /nfs/dbraw/zinc/53/04/16/348530416.db2.gz ZTYQIBSPMGDECD-LBPRGKRZSA-N 1 0 257.337 2.066 10 0 CEAERO NNc1cc(Oc2cc(Cl)ccc2Cl)nc(N)[nH+]1 ZINC000087881653 179509388 /nfs/dbraw/zinc/50/93/88/179509388.db2.gz VWFDONPNRFWFSZ-UHFFFAOYSA-N 1 0 286.122 2.444 10 0 CEAERO CCOC(=O)c1ccccc1[C@H]1CCCN(CC[NH3+])CC1 ZINC000616600249 348530552 /nfs/dbraw/zinc/53/05/52/348530552.db2.gz GFCOQLBBHSHKFZ-AWEZNQCLSA-N 1 0 290.407 2.392 10 0 CEAERO [NH3+]CCN1CCC[C@@H](c2cccc3nnccc32)CC1 ZINC000616600971 348530970 /nfs/dbraw/zinc/53/09/70/348530970.db2.gz JMXXLCKGGSWISC-CYBMUJFWSA-N 1 0 270.380 2.158 10 0 CEAERO CC(=O)Nc1ccc([C@H]2CCCC[N@@H+]2CCO)cc1 ZINC000616614026 348534938 /nfs/dbraw/zinc/53/49/38/348534938.db2.gz GKRIQKGRDZTAEB-OAHLLOKOSA-N 1 0 262.353 2.164 10 0 CEAERO OCC[N@@H+]1CCCC[C@H]1c1cccc2nnccc21 ZINC000616616140 348535015 /nfs/dbraw/zinc/53/50/15/348535015.db2.gz JFWZZRDNRLNKAE-HNNXBMFYSA-N 1 0 257.337 2.149 10 0 CEAERO OCC[N@@H+]1CCCC[C@@H]1c1cc2ccccc2nn1 ZINC000616613965 348535101 /nfs/dbraw/zinc/53/51/01/348535101.db2.gz GBCPIOSJQKOIPO-OAHLLOKOSA-N 1 0 257.337 2.149 10 0 CEAERO Cc1cc(OCc2cccc(Cl)c2)nc(NN)[nH+]1 ZINC000087890767 179513952 /nfs/dbraw/zinc/51/39/52/179513952.db2.gz CDAYSUFUKRHRFN-UHFFFAOYSA-N 1 0 264.716 2.303 10 0 CEAERO OCC[N@@H+]1CCC[C@H](c2ccc3ccccc3n2)C1 ZINC000616617927 348536000 /nfs/dbraw/zinc/53/60/00/348536000.db2.gz MZTVMHQXZCUPEZ-AWEZNQCLSA-N 1 0 256.349 2.407 10 0 CEAERO [NH3+]CCN1CCC(c2cccc3cccnc32)CC1 ZINC000616620387 348537287 /nfs/dbraw/zinc/53/72/87/348537287.db2.gz YUKXBTCOYLQEOU-UHFFFAOYSA-N 1 0 255.365 2.373 10 0 CEAERO CCc1nc(N(C)Cc2ccsc2)cc(NN)[nH+]1 ZINC000087906791 179516399 /nfs/dbraw/zinc/51/63/99/179516399.db2.gz MTFNGFASXFJEJS-UHFFFAOYSA-N 1 0 263.370 2.023 10 0 CEAERO CCn1cc(C[C@H]([NH2+]C)[C@@H]2COc3ccccc3C2)cn1 ZINC000088021409 179536333 /nfs/dbraw/zinc/53/63/33/179536333.db2.gz MPRQGBQCNSLRQQ-HOTGVXAUSA-N 1 0 285.391 2.285 10 0 CEAERO CC[C@H]([NH3+])Cc1nc([C@H]2COc3ccccc3C2)no1 ZINC000088043199 179538457 /nfs/dbraw/zinc/53/84/57/179538457.db2.gz JQPLCMHEFOOXBO-NEPJUHHUSA-N 1 0 273.336 2.068 10 0 CEAERO CC[C@H](NC(=O)[C@H]1C[NH2+]Cc2ccccc21)C(C)C ZINC000087618700 539651995 /nfs/dbraw/zinc/65/19/95/539651995.db2.gz YLMRDSCMZHTGRY-GJZGRUSLSA-N 1 0 260.381 2.424 10 0 CEAERO [NH3+]C1(C2=NC(=O)C(c3ccccc3)C(=O)N2)CCCCC1 ZINC000088099900 179546897 /nfs/dbraw/zinc/54/68/97/179546897.db2.gz DJLXJXWUGMFFSF-UHFFFAOYSA-N 1 0 285.347 2.261 10 0 CEAERO [NH3+]CC[C@@H]([S@](=O)c1ccccc1)C(F)(F)F ZINC000088143712 179555868 /nfs/dbraw/zinc/55/58/68/179555868.db2.gz IXFUZCIMEMBZHB-ABKXIKBNSA-N 1 0 251.273 2.074 10 0 CEAERO [NH3+]CC[C@H]([S@@](=O)c1ccccc1)C(F)(F)F ZINC000088143711 179556110 /nfs/dbraw/zinc/55/61/10/179556110.db2.gz IXFUZCIMEMBZHB-XXFAHNHDSA-N 1 0 251.273 2.074 10 0 CEAERO CC[NH2+][C@H]1CCCc2c(O[C@H]3CCOC3=O)cccc21 ZINC000088152203 179557870 /nfs/dbraw/zinc/55/78/70/179557870.db2.gz GEVQQXAVMMVLGH-ZFWWWQNUSA-N 1 0 275.348 2.368 10 0 CEAERO CC[NH2+][C@@H]1CCCc2c(O[C@@H]3CCOC3=O)cccc21 ZINC000088152200 179557881 /nfs/dbraw/zinc/55/78/81/179557881.db2.gz GEVQQXAVMMVLGH-UKRRQHHQSA-N 1 0 275.348 2.368 10 0 CEAERO c1coc([C@H]2COCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000616662049 348552820 /nfs/dbraw/zinc/55/28/20/348552820.db2.gz FJHGJDUUUPWZKP-CQSZACIVSA-N 1 0 258.321 2.291 10 0 CEAERO c1cc([C@H]2COCC[N@@H+](Cc3ccccc3)C2)n[nH]1 ZINC000616662083 348552840 /nfs/dbraw/zinc/55/28/40/348552840.db2.gz GFPZZTOWERJPJY-CQSZACIVSA-N 1 0 257.337 2.026 10 0 CEAERO CCC[NH2+]CC(=O)N(C)[C@@H](C)Cc1ccccc1OC ZINC000088201797 179565003 /nfs/dbraw/zinc/56/50/03/179565003.db2.gz KCTZAYCFTZTDRB-ZDUSSCGKSA-N 1 0 278.396 2.084 10 0 CEAERO [NH3+]CCN1CCc2ccccc2[C@H]1c1cccc(CCO)c1 ZINC000616680799 348559054 /nfs/dbraw/zinc/55/90/54/348559054.db2.gz PWTVZBWLVMTTQW-LJQANCHMSA-N 1 0 296.414 2.128 10 0 CEAERO CCOC(=O)c1ccccc1[C@@H]1CC[N@H+](C)CCO1 ZINC000616687259 348560530 /nfs/dbraw/zinc/56/05/30/348560530.db2.gz QWNMPCTUUAANBS-AWEZNQCLSA-N 1 0 263.337 2.257 10 0 CEAERO [NH3+]CCN1C[C@@H](c2cccc(CCO)c2)Nc2ccccc21 ZINC000616693442 348562794 /nfs/dbraw/zinc/56/27/94/348562794.db2.gz ROTUVZWOSZYNMQ-KRWDZBQOSA-N 1 0 297.402 2.153 10 0 CEAERO CC[C@@H]1CCC[C@](C[NH3+])(CCS(=O)(=O)CC)C1 ZINC000087973833 179530241 /nfs/dbraw/zinc/53/02/41/179530241.db2.gz YMGBXBOFFKVXNO-OLZOCXBDSA-N 1 0 261.431 2.357 10 0 CEAERO CC[C@]1(C)C[NH2+]CCN1CCOc1ccccc1OC ZINC000088415523 179596183 /nfs/dbraw/zinc/59/61/83/179596183.db2.gz USSJAEFJRUKVFR-MRXNPFEDSA-N 1 0 278.396 2.148 10 0 CEAERO CCOc1ccccc1NC(=O)[C@@H]1C[NH2+]C[C@H](C)C1 ZINC000088449319 179605352 /nfs/dbraw/zinc/60/53/52/179605352.db2.gz ZCUQNAONVNXRBM-NEPJUHHUSA-N 1 0 262.353 2.269 10 0 CEAERO Cc1nn(C)c(C)c1OCc1cc(C[NH3+])ccc1F ZINC000088453206 179607478 /nfs/dbraw/zinc/60/74/78/179607478.db2.gz KUKAVJSESNMSCK-UHFFFAOYSA-N 1 0 263.316 2.214 10 0 CEAERO O=C(NC[C@@H]1CC=CCC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000104199004 185928447 /nfs/dbraw/zinc/92/84/47/185928447.db2.gz PTDQGJMGGNPQRB-PWSUYJOCSA-N 1 0 276.302 2.001 10 0 CEAERO CCC[NH2+][C@H](Cc1ncnn1C)Cc1ccc(F)cc1F ZINC000088582287 179629499 /nfs/dbraw/zinc/62/94/99/179629499.db2.gz KDSRQNNKNBNORC-ZDUSSCGKSA-N 1 0 294.349 2.247 10 0 CEAERO CCC[NH2+][C@H](Cc1ncnn1C)C1Cc2ccccc2C1 ZINC000088582524 179630325 /nfs/dbraw/zinc/63/03/25/179630325.db2.gz ZZMAQNGOPYGHDD-MRXNPFEDSA-N 1 0 284.407 2.141 10 0 CEAERO CC(C)n1ncnc1CN(C)C1(C[NH3+])CCC(C)CC1 ZINC000088585941 179631351 /nfs/dbraw/zinc/63/13/51/179631351.db2.gz CBWXSVRUVWOVMC-UHFFFAOYSA-N 1 0 279.432 2.198 10 0 CEAERO CCCn1ncnc1Cn1ccc2c1cccc2C[NH2+]C ZINC000088603069 179635155 /nfs/dbraw/zinc/63/51/55/179635155.db2.gz MPPAWHJUVROPCL-UHFFFAOYSA-N 1 0 283.379 2.411 10 0 CEAERO CCn1ncnc1C[C@]1([NH3+])CCCc2ccccc21 ZINC000088606728 179635980 /nfs/dbraw/zinc/63/59/80/179635980.db2.gz HJUIYGPQXNUUKT-OAHLLOKOSA-N 1 0 256.353 2.031 10 0 CEAERO COc1ccc([C@H]([NH3+])Cc2ncnn2C(C)C)cc1OC ZINC000088609926 179637367 /nfs/dbraw/zinc/63/73/67/179637367.db2.gz FNXZCGIHQPZGGX-GFCCVEGCSA-N 1 0 290.367 2.119 10 0 CEAERO CCC[NH2+][C@H](Cc1ncnn1CCC)[C@H]1C[C@@H]1C ZINC000088617075 179639855 /nfs/dbraw/zinc/63/98/55/179639855.db2.gz YGWMJKNPUZODLJ-RWMBFGLXSA-N 1 0 250.390 2.255 10 0 CEAERO CCn1ncnc1C[C@@H]([NH3+])C1CCC(C)(C)CC1 ZINC000088613328 179639888 /nfs/dbraw/zinc/63/98/88/179639888.db2.gz YIMCRXQJKTVSFO-GFCCVEGCSA-N 1 0 250.390 2.384 10 0 CEAERO CC(C)C[C@@H]1CN(Cc2ncnn2C(C)C)[C@@H](C)C[NH2+]1 ZINC000088625447 179642418 /nfs/dbraw/zinc/64/24/18/179642418.db2.gz QVLPYSYDEIJVDX-UONOGXRCSA-N 1 0 279.432 2.067 10 0 CEAERO CCn1ncnc1CN1C[C@@](C)(CC)[NH2+]CC1(CC)CC ZINC000088625606 179642924 /nfs/dbraw/zinc/64/29/24/179642924.db2.gz WXJDSYWNMHXYMD-OAHLLOKOSA-N 1 0 293.459 2.431 10 0 CEAERO CCc1nc(CC)n([C@H](c2cccnc2)[C@@H]([NH3+])CC)n1 ZINC000088739610 179662193 /nfs/dbraw/zinc/66/21/93/179662193.db2.gz IEAWGSYBFILUIT-SWLSCSKDSA-N 1 0 273.384 2.125 10 0 CEAERO C[NH2+][C@H](C)c1nnc(Cc2ccc(OC)cc2)s1 ZINC000088821007 179677983 /nfs/dbraw/zinc/67/79/83/179677983.db2.gz KPDICAOASVYFRE-SECBINFHSA-N 1 0 263.366 2.418 10 0 CEAERO C[C@H](CC[NH3+])NC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000336832733 539673400 /nfs/dbraw/zinc/67/34/00/539673400.db2.gz MXZQZBANXIIVQP-YUELXQCFSA-N 1 0 276.380 2.008 10 0 CEAERO CCn1c(CCC2CC[NH2+]CC2)nc2cnccc21 ZINC000088864763 179684700 /nfs/dbraw/zinc/68/47/00/179684700.db2.gz PEDZJCBHXCNVCW-UHFFFAOYSA-N 1 0 258.369 2.383 10 0 CEAERO CC(C)(C)n1c2ccncc2nc1[C@]1(C)CC[NH2+]C1 ZINC000088866752 179685166 /nfs/dbraw/zinc/68/51/66/179685166.db2.gz QAHJBRUZIXDKKZ-OAHLLOKOSA-N 1 0 258.369 2.437 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1ccc2[nH]ccc2c1 ZINC000089091027 539688721 /nfs/dbraw/zinc/68/87/21/539688721.db2.gz YGDVTSSMSMZIBC-TZMCWYRMSA-N 1 0 257.337 2.025 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1cccc2[nH]ccc21 ZINC000089090915 539688778 /nfs/dbraw/zinc/68/87/78/539688778.db2.gz QPOLPTUKIFIQGP-ZWNOBZJWSA-N 1 0 257.337 2.025 10 0 CEAERO CCCn1cccc1C(=O)N(CC)[C@H]1CCC[C@H]1C[NH3+] ZINC000089114415 179708745 /nfs/dbraw/zinc/70/87/45/179708745.db2.gz HRVQMPULEXMUTL-KBPBESRZSA-N 1 0 277.412 2.488 10 0 CEAERO CCN(c1ccc(Cl)cc1C(N)=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089116644 179710163 /nfs/dbraw/zinc/71/01/63/179710163.db2.gz UAXXQVHOTCVFJZ-MFKMUULPSA-N 1 0 295.814 2.393 10 0 CEAERO CN(C(=O)/C=C/c1ccco1)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089119103 179710861 /nfs/dbraw/zinc/71/08/61/179710861.db2.gz PDEQWEONICZEGF-UWCZFHCBSA-N 1 0 262.353 2.269 10 0 CEAERO C[C@@H]1CN(C(=O)/C=C/c2ccc(Cl)s2)C[C@H]1[NH3+] ZINC000493612398 290872190 /nfs/dbraw/zinc/87/21/90/290872190.db2.gz ARUFGRPIKWVFSO-AUYFGZFJSA-N 1 0 270.785 2.220 10 0 CEAERO C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1O)c1nc2ccccc2n1C ZINC000089162191 179731152 /nfs/dbraw/zinc/73/11/52/179731152.db2.gz HFPYBKPZBIITFY-HUBLWGQQSA-N 1 0 273.380 2.385 10 0 CEAERO CCn1nc(C[C@H]([NH3+])[C@H]2CCCOC2)c2ccccc21 ZINC000089178159 179743359 /nfs/dbraw/zinc/74/33/59/179743359.db2.gz RMTUKTGKHBOUKG-JSGCOSHPSA-N 1 0 273.380 2.353 10 0 CEAERO CCn1nc(C)cc1CO[C@]1(C[NH3+])CC[C@H](C)C1 ZINC000089180800 179744852 /nfs/dbraw/zinc/74/48/52/179744852.db2.gz LNIJOCCBRWIJPZ-SMDDNHRTSA-N 1 0 251.374 2.246 10 0 CEAERO Cc1cc(CO[C@]2(C[NH3+])CCC[C@@H](C)C2)n(C)n1 ZINC000089180767 179744913 /nfs/dbraw/zinc/74/49/13/179744913.db2.gz RNEQDWCVDASQJM-BXUZGUMPSA-N 1 0 251.374 2.153 10 0 CEAERO CCn1nc(C)cc1CO[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089186811 179747789 /nfs/dbraw/zinc/74/77/89/179747789.db2.gz KLJNRYYWXFYCOU-TZMCWYRMSA-N 1 0 251.374 2.246 10 0 CEAERO Cc1cc(C[C@]2(C[NH3+])CCc3ccccc32)n(C)n1 ZINC000089230938 179759049 /nfs/dbraw/zinc/75/90/49/179759049.db2.gz APQLOUKDPYHJIE-INIZCTEOSA-N 1 0 255.365 2.114 10 0 CEAERO COCCOc1ccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089454215 539716754 /nfs/dbraw/zinc/71/67/54/539716754.db2.gz NCCXWTWBZPCEBN-WFASDCNBSA-N 1 0 292.379 2.025 10 0 CEAERO COc1ccccc1CN(C)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089458212 539717534 /nfs/dbraw/zinc/71/75/34/539717534.db2.gz NBNDMHWXOITYJQ-OCCSQVGLSA-N 1 0 276.380 2.029 10 0 CEAERO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089456759 539717603 /nfs/dbraw/zinc/71/76/03/539717603.db2.gz YRNZYJQEPXUKOX-UWVGGRQHSA-N 1 0 266.307 2.162 10 0 CEAERO CC[C@H]([NH3+])c1c(C)nn(Cc2cc(C)nn2CC)c1C ZINC000089206568 179754221 /nfs/dbraw/zinc/75/42/21/179754221.db2.gz REMNFGGHSWPLEB-AWEZNQCLSA-N 1 0 275.400 2.483 10 0 CEAERO CCC1CCC(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089460454 539718139 /nfs/dbraw/zinc/71/81/39/539718139.db2.gz QCBDPVALOALBIJ-FKZOYECMSA-N 1 0 252.402 2.446 10 0 CEAERO CCn1nc(C)cc1CN1C[C@H](C(C)C)[NH2+]CC1(C)C ZINC000089209291 179755329 /nfs/dbraw/zinc/75/53/29/179755329.db2.gz YMVBVAKREWVFBE-OAHLLOKOSA-N 1 0 278.444 2.420 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1cccc(F)c1F ZINC000089458422 539718561 /nfs/dbraw/zinc/71/85/61/539718561.db2.gz DVHAISLJZKQVPK-BDAKNGLRSA-N 1 0 254.280 2.278 10 0 CEAERO CCc1nn(C)c(CN2CC[NH2+][C@H](C(C)(C)C)C2)c1Cl ZINC000089346036 179770677 /nfs/dbraw/zinc/77/06/77/179770677.db2.gz DYVDDPJCFXBHTM-ZDUSSCGKSA-N 1 0 298.862 2.456 10 0 CEAERO C[C@H](OCc1ccccc1)C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000404442557 233193518 /nfs/dbraw/zinc/19/35/18/233193518.db2.gz YLIILDZTZMGGNP-GXTWGEPZSA-N 1 0 278.396 2.081 10 0 CEAERO CCn1nc(C)c(Cl)c1CN(CC[NH3+])CC(C)C ZINC000089279427 179764650 /nfs/dbraw/zinc/76/46/50/179764650.db2.gz WPBUYPKXIOVSIJ-UHFFFAOYSA-N 1 0 272.824 2.282 10 0 CEAERO Cc1ccc(F)c(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000089450267 179792153 /nfs/dbraw/zinc/79/21/53/179792153.db2.gz QTCUWPNEIKVVCK-WDEREUQCSA-N 1 0 250.317 2.448 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCc1ccc(OC(F)F)cc1 ZINC000089459545 179795473 /nfs/dbraw/zinc/79/54/73/179795473.db2.gz FUQOFVMVQLUUOL-YPMHNXCESA-N 1 0 298.333 2.279 10 0 CEAERO COc1ccccc1N(C)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089461182 179795902 /nfs/dbraw/zinc/79/59/02/179795902.db2.gz ZKEZQVCOMRJHCQ-RYUDHWBXSA-N 1 0 262.353 2.033 10 0 CEAERO NC(=O)c1ccc(OC[C@H]2CCCC[C@H]2C[NH3+])c(F)c1 ZINC000089537536 179812865 /nfs/dbraw/zinc/81/28/65/179812865.db2.gz NCBUXCQTGJUXFD-NWDGAFQWSA-N 1 0 280.343 2.069 10 0 CEAERO CCn1nc(C)c(Cl)c1CC1(O)CCC([NH2+]C)CC1 ZINC000089539540 179813982 /nfs/dbraw/zinc/81/39/82/179813982.db2.gz JHHCUQNFSCQQIZ-UHFFFAOYSA-N 1 0 285.819 2.300 10 0 CEAERO Cc1cc(C[NH2+]C[C@H]2CCC[C@H]2CO)c(C)n1C ZINC000089490564 179802447 /nfs/dbraw/zinc/80/24/47/179802447.db2.gz ICKSUSFKPCVZNX-KGLIPLIRSA-N 1 0 250.386 2.140 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1CNC(=O)Nc1ccccc1F ZINC000089500844 179805441 /nfs/dbraw/zinc/80/54/41/179805441.db2.gz XEUHEWPMWNBBGJ-QWRGUYRKSA-N 1 0 265.332 2.322 10 0 CEAERO C[NH2+][C@H](C)CCc1cc(OC)c(OC)cc1OC ZINC000089631605 179834560 /nfs/dbraw/zinc/83/45/60/179834560.db2.gz YFVNEDXDOXLWFT-SNVBAGLBSA-N 1 0 253.342 2.253 10 0 CEAERO CCn1cncc1[C@@H](C[NH3+])N(C)Cc1cccc(C)c1 ZINC000090174495 179926119 /nfs/dbraw/zinc/92/61/19/179926119.db2.gz SNDSJIQDWINTPN-OAHLLOKOSA-N 1 0 272.396 2.343 10 0 CEAERO CCC[NH2+][C@@H]1CCCc2nc(-c3cncn3C)ncc21 ZINC000090165669 179922632 /nfs/dbraw/zinc/92/26/32/179922632.db2.gz OVOMEGSAXNWGKH-GFCCVEGCSA-N 1 0 271.368 2.254 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]Cc2ccc(Cl)c(OC)c2)C1 ZINC000623408187 350011057 /nfs/dbraw/zinc/01/10/57/350011057.db2.gz MJSONWRIWCHEQY-ZDUSSCGKSA-N 1 0 298.814 2.159 10 0 CEAERO CC(C)(C)[NH2+]Cc1cncn1CCc1ccncc1 ZINC000090240891 179938044 /nfs/dbraw/zinc/93/80/44/179938044.db2.gz JCOZXWBGNGZWBW-UHFFFAOYSA-N 1 0 258.369 2.409 10 0 CEAERO Cc1ncsc1Cn1cncc1C[NH2+]CC(C)C ZINC000090242502 179939137 /nfs/dbraw/zinc/93/91/37/179939137.db2.gz AIPKADPOLCOKLX-UHFFFAOYSA-N 1 0 264.398 2.442 10 0 CEAERO CCCN(Cc1ncc(C(C)(C)C)o1)C1C[NH2+]C1 ZINC000090293543 179952114 /nfs/dbraw/zinc/95/21/14/179952114.db2.gz NVIBDCNUWDHYFQ-UHFFFAOYSA-N 1 0 251.374 2.156 10 0 CEAERO COC(OC)[C@](C)(C[NH3+])Nc1ccc(Cl)cc1 ZINC000090266743 179942769 /nfs/dbraw/zinc/94/27/69/179942769.db2.gz FYDAZSOURUKEMW-LBPRGKRZSA-N 1 0 258.749 2.088 10 0 CEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C(=O)CC1=CCCCC1 ZINC000090331016 179962007 /nfs/dbraw/zinc/96/20/07/179962007.db2.gz CNDQFPLLXCLVFG-QLFBSQMISA-N 1 0 262.397 2.333 10 0 CEAERO COc1ccc(OC)c(CN2C[C@H]3C[NH2+]C[C@@H]3C2(C)C)c1 ZINC000090334725 179964533 /nfs/dbraw/zinc/96/45/33/179964533.db2.gz SAHWCRJYQUJGCC-HIFRSBDPSA-N 1 0 290.407 2.134 10 0 CEAERO [NH3+]CCCSCc1nc(-c2ccc(F)cc2)no1 ZINC000090344763 179970104 /nfs/dbraw/zinc/97/01/04/179970104.db2.gz ITUDAQKKHOJEIK-UHFFFAOYSA-N 1 0 267.329 2.458 10 0 CEAERO CCOC(=O)c1ccoc1CSC[C@@H](C)C[NH3+] ZINC000090350270 179971966 /nfs/dbraw/zinc/97/19/66/179971966.db2.gz BXEBJSZSICBMAQ-VIFPVBQESA-N 1 0 257.355 2.284 10 0 CEAERO CC[NH2+][C@H]1COC[C@H]1C(=O)Nc1cccc2c1CCCC2 ZINC000090487346 179991184 /nfs/dbraw/zinc/99/11/84/179991184.db2.gz FPZFRBOGFXEOCI-ZBFHGGJFSA-N 1 0 288.391 2.128 10 0 CEAERO CCCCOc1ccc(C[NH2+][C@H]2CCOC[C@@H]2O)cc1 ZINC000623763802 350105605 /nfs/dbraw/zinc/10/56/05/350105605.db2.gz QDUFDRNCEPTYFW-HOTGVXAUSA-N 1 0 279.380 2.105 10 0 CEAERO CC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1c(CC)cccc1CC ZINC000090487225 179991467 /nfs/dbraw/zinc/99/14/67/179991467.db2.gz PDUTUSDDYZZTJH-GJZGRUSLSA-N 1 0 290.407 2.374 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N[C@@H](C)c1ccccc1F ZINC000090541552 180000594 /nfs/dbraw/zinc/00/05/94/180000594.db2.gz YCRDIPTWECDJMH-CORIIIEPSA-N 1 0 294.370 2.018 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N(C)c1ccc(CC)cc1 ZINC000090544406 180000864 /nfs/dbraw/zinc/00/08/64/180000864.db2.gz ZTARBBKKWUAROA-JKSUJKDBSA-N 1 0 290.407 2.226 10 0 CEAERO C[C@@]1(c2nc(-c3ccc(Cl)cc3)no2)COC[C@H]1[NH3+] ZINC000090573125 180007685 /nfs/dbraw/zinc/00/76/85/180007685.db2.gz BYWCLPGYUDPPHL-ZWNOBZJWSA-N 1 0 279.727 2.005 10 0 CEAERO CC(C)n1c2ccccc2nc1[C@@]1(C)COC[C@H]1[NH3+] ZINC000090571671 180007952 /nfs/dbraw/zinc/00/79/52/180007952.db2.gz HRCYJYMZMDYYIO-HIFRSBDPSA-N 1 0 259.353 2.232 10 0 CEAERO CC(C)c1cccc(NC(=O)[C@@]2(C)COC[C@H]2[NH3+])c1 ZINC000090582358 180008739 /nfs/dbraw/zinc/00/87/39/180008739.db2.gz HDJMXRFUKTYWNQ-HIFRSBDPSA-N 1 0 262.353 2.112 10 0 CEAERO C[C@@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)NCC1(C)CCCC1 ZINC000104438834 186001936 /nfs/dbraw/zinc/00/19/36/186001936.db2.gz RGQAYDFWMVJDLI-AGIUHOORSA-N 1 0 252.402 2.446 10 0 CEAERO Cc1ccc(NC(=O)CSCC2C[NH2+]C2)c(C)c1 ZINC000090713278 180028906 /nfs/dbraw/zinc/02/89/06/180028906.db2.gz MSLOJYHHHSXVNK-UHFFFAOYSA-N 1 0 264.394 2.195 10 0 CEAERO COC(C[C@@H](C[NH3+])Nc1cccc(Cl)c1)OC ZINC000090625436 180015555 /nfs/dbraw/zinc/01/55/55/180015555.db2.gz YBXOKCMNQXPXSR-NSHDSACASA-N 1 0 258.749 2.088 10 0 CEAERO CCC[NH2+][C@](C)(CO)CCCO[C@H](C)C(F)(F)F ZINC000090675984 180022462 /nfs/dbraw/zinc/02/24/62/180022462.db2.gz UDXITUIUAJUCLG-MNOVXSKESA-N 1 0 271.323 2.485 10 0 CEAERO C[C@H](OCCn1cc(C[NH2+]C(C)(C)C)nn1)C(F)(F)F ZINC000090675446 180022490 /nfs/dbraw/zinc/02/24/90/180022490.db2.gz XZLMYFXKYUJGDM-VIFPVBQESA-N 1 0 294.321 2.134 10 0 CEAERO CCC[NH2+][C@](C)(CO)CCO[C@H](C)C(F)(F)F ZINC000090676008 180022642 /nfs/dbraw/zinc/02/26/42/180022642.db2.gz RIYCYDHQGXJQTP-ZJUUUORDSA-N 1 0 257.296 2.095 10 0 CEAERO CCC(CC)C(=O)N1CCCSC[C@H]1C[NH+](C)C ZINC000090699759 180027808 /nfs/dbraw/zinc/02/78/08/180027808.db2.gz ZBQNPTPTABAQDN-CYBMUJFWSA-N 1 0 272.458 2.318 10 0 CEAERO COc1cc(N(CCC[NH3+])C2CCCCCC2)ncn1 ZINC000090783537 180039219 /nfs/dbraw/zinc/03/92/19/180039219.db2.gz ICYYMQSPWFOQBZ-UHFFFAOYSA-N 1 0 278.400 2.363 10 0 CEAERO CCOc1cc(N2CC[NH2+]Cc3ccccc32)ncn1 ZINC000090784334 180039681 /nfs/dbraw/zinc/03/96/81/180039681.db2.gz LLSOMYGTRHXUJQ-UHFFFAOYSA-N 1 0 270.336 2.117 10 0 CEAERO CCOc1ncnc(OCC[C@H]2CCCC[NH2+]2)c1C ZINC000090789828 180042209 /nfs/dbraw/zinc/04/22/09/180042209.db2.gz PWNWERQPJFRPTC-GFCCVEGCSA-N 1 0 265.357 2.095 10 0 CEAERO CCOc1ncnc(NC[C@@H]2CCCC[C@@H]2[NH3+])c1C ZINC000090790164 180042265 /nfs/dbraw/zinc/04/22/65/180042265.db2.gz WCZXPFQEFJCSIX-RYUDHWBXSA-N 1 0 264.373 2.113 10 0 CEAERO CCOc1cc(NC[C@@H](C)C[NH+]2CCCC2)nc(C)n1 ZINC000090792451 180042574 /nfs/dbraw/zinc/04/25/74/180042574.db2.gz PNMPVPDDJXRNPB-GFCCVEGCSA-N 1 0 278.400 2.328 10 0 CEAERO C[C@H](C[NH2+][C@H]1CCCc2sccc21)[S@](C)=O ZINC000090841618 180043830 /nfs/dbraw/zinc/04/38/30/180043830.db2.gz UCTZOCIHZYQIMF-SEFYAATASA-N 1 0 257.424 2.482 10 0 CEAERO CC[C@]1(C)[C@@H]([NH2+]C)C[C@@H]1Oc1ccc(S(C)(=O)=O)cc1 ZINC000090862014 180046837 /nfs/dbraw/zinc/04/68/37/180046837.db2.gz AZWBGIADGPERDH-SOUVJXGZSA-N 1 0 297.420 2.246 10 0 CEAERO CC[C@]1(C)[C@@H]([NH2+]C)C[C@@H]1Oc1cccc(S(C)(=O)=O)c1 ZINC000090862065 180047306 /nfs/dbraw/zinc/04/73/06/180047306.db2.gz NCZDFUIJPQAQDO-SOUVJXGZSA-N 1 0 297.420 2.246 10 0 CEAERO COCC[N@H+](C)CCNc1snc2ccccc21 ZINC000090869173 180049094 /nfs/dbraw/zinc/04/90/94/180049094.db2.gz PCWBGRNUYBSLGG-UHFFFAOYSA-N 1 0 265.382 2.286 10 0 CEAERO C[NH2+]Cc1cccc(SCc2nnc(C)n2C)c1 ZINC000090870751 180049131 /nfs/dbraw/zinc/04/91/31/180049131.db2.gz IHEILWSHPIUPRJ-UHFFFAOYSA-N 1 0 262.382 2.135 10 0 CEAERO CC(C)NC(=O)[C@H](C)Sc1cccc(C[NH3+])c1 ZINC000090870327 180049392 /nfs/dbraw/zinc/04/93/92/180049392.db2.gz IHOBYNKOQIPTSX-JTQLQIEISA-N 1 0 252.383 2.151 10 0 CEAERO CC(C)C[NH2+]CCN(C)C[C@@H]1Cc2ccccc2O1 ZINC000090875398 180050957 /nfs/dbraw/zinc/05/09/57/180050957.db2.gz SISDSANVTWLOJM-HNNXBMFYSA-N 1 0 262.397 2.168 10 0 CEAERO CC[C@H]([NH3+])Cc1nccn1C[C@H]1Cc2ccccc2O1 ZINC000090877416 180051750 /nfs/dbraw/zinc/05/17/50/180051750.db2.gz FBTXXMDIJXLBKC-UONOGXRCSA-N 1 0 271.364 2.167 10 0 CEAERO C[NH2+]CC1(C[C@H]2Cc3ccccc3O2)CCOCC1 ZINC000090877341 180052327 /nfs/dbraw/zinc/05/23/27/180052327.db2.gz QWJSAYGSXXDZCO-CQSZACIVSA-N 1 0 261.365 2.396 10 0 CEAERO Fc1ccc2c(c1)C[C@H](C[NH2+]C[C@@H]1CCCCO1)O2 ZINC000090892527 180053873 /nfs/dbraw/zinc/05/38/73/180053873.db2.gz DSKKBBHISWLAGX-UONOGXRCSA-N 1 0 265.328 2.288 10 0 CEAERO Fc1ccc2c(c1)C[C@@H](C[NH2+]CC[C@H]1CCCO1)O2 ZINC000090892298 180053972 /nfs/dbraw/zinc/05/39/72/180053972.db2.gz AYFFDRSKBYBFMH-KGLIPLIRSA-N 1 0 265.328 2.288 10 0 CEAERO Cc1cc(C[NH2+]C[C@H]2Cc3cc(F)ccc3O2)on1 ZINC000090892584 180054664 /nfs/dbraw/zinc/05/46/64/180054664.db2.gz ZTJDAWYJEKXJQZ-GFCCVEGCSA-N 1 0 262.284 2.215 10 0 CEAERO CC(C)CN(CC[NH3+])C[C@H]1Cc2cc(F)ccc2O1 ZINC000090893506 180055173 /nfs/dbraw/zinc/05/51/73/180055173.db2.gz KAIZCEYXWQAEAC-CQSZACIVSA-N 1 0 266.360 2.046 10 0 CEAERO CN(C[C@H]1Cc2cc(F)ccc2O1)c1cc[nH+]cc1N ZINC000090893560 180055514 /nfs/dbraw/zinc/05/55/14/180055514.db2.gz MJKOSTXWOIDKIF-GFCCVEGCSA-N 1 0 273.311 2.243 10 0 CEAERO C[NH2+]Cc1c(C)nn(C[C@@H]2Cc3cc(F)ccc3O2)c1C ZINC000090894371 180055676 /nfs/dbraw/zinc/05/56/76/180055676.db2.gz LNHSJHICUJCGBS-AWEZNQCLSA-N 1 0 289.354 2.362 10 0 CEAERO C[NH2+]Cc1cnc(C)n1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090895629 180056102 /nfs/dbraw/zinc/05/61/02/180056102.db2.gz BZBCWWWEQNPBTN-AWEZNQCLSA-N 1 0 275.327 2.054 10 0 CEAERO C[C@@H]1CN(C[C@@H]2Cc3cc(F)ccc3O2)[C@@H](C)CC[NH2+]1 ZINC000090896198 180057414 /nfs/dbraw/zinc/05/74/14/180057414.db2.gz IDPLFZQJMUPKML-XUJVJEKNSA-N 1 0 278.371 2.202 10 0 CEAERO CCN(C[C@H]1Cc2cc(C)ccc2O1)[C@@H]1CCC[NH2+]C1 ZINC000090900164 180058605 /nfs/dbraw/zinc/05/86/05/180058605.db2.gz LDBAFBCYPBNNSO-HZPDHXFCSA-N 1 0 274.408 2.372 10 0 CEAERO C[C@@H]1CN(C[C@@H]2Cc3cc(Cl)ccc3O2)C[C@@H](C)[NH2+]1 ZINC000090900173 180058638 /nfs/dbraw/zinc/05/86/38/180058638.db2.gz PKLRGVHXDOZINZ-GYSYKLTISA-N 1 0 280.799 2.326 10 0 CEAERO Cc1ccc2c(c1)C[C@H](Cn1ccnc1C[C@H](C)[NH3+])O2 ZINC000090901595 180059237 /nfs/dbraw/zinc/05/92/37/180059237.db2.gz PIGCAOASTNFGED-GXTWGEPZSA-N 1 0 271.364 2.085 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](CN1CC[NH2+]C[C@@H]1C(C)C)O2 ZINC000090902450 180059796 /nfs/dbraw/zinc/05/97/96/180059796.db2.gz GJUJWNUXERFCFE-JKSUJKDBSA-N 1 0 274.408 2.228 10 0 CEAERO C[C@@H](O)CC[NH2+]C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090905090 180060469 /nfs/dbraw/zinc/06/04/69/180060469.db2.gz OXQYZZSYRMYZFO-SKDRFNHKSA-N 1 0 255.745 2.004 10 0 CEAERO CCCOc1ccc([C@H]([NH3+])CN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090906072 180060829 /nfs/dbraw/zinc/06/08/29/180060829.db2.gz CPUWYNNKNHGSSJ-IXDOHACOSA-N 1 0 290.407 2.338 10 0 CEAERO [NH3+][C@@H](CCN1C[C@H]2CC[C@@H](C1)O2)c1cccc(F)c1 ZINC000090907482 180061884 /nfs/dbraw/zinc/06/18/84/180061884.db2.gz FGHFJJYMLYGNDM-ZNMIVQPWSA-N 1 0 264.344 2.079 10 0 CEAERO C[NH2+][C@@H](CCN1C[C@H]2CC[C@@H](C1)O2)c1ccccc1F ZINC000090907555 180062037 /nfs/dbraw/zinc/06/20/37/180062037.db2.gz NARGXNBRSPSXDS-ZENOOKHLSA-N 1 0 278.371 2.340 10 0 CEAERO C[NH2+]Cc1sc(N2C[C@H]3CC[C@@H](C2)O3)nc1C1CC1 ZINC000090908189 180062361 /nfs/dbraw/zinc/06/23/61/180062361.db2.gz RUUJLVAKJOSGKD-PHIMTYICSA-N 1 0 279.409 2.108 10 0 CEAERO CC[NH2+][C@@H]1CCCc2nc(N3C[C@H]4CC[C@@H](C3)O4)sc21 ZINC000090908129 180062460 /nfs/dbraw/zinc/06/24/60/180062460.db2.gz SEYVNJUOYJFMMZ-GRYCIOLGSA-N 1 0 293.436 2.498 10 0 CEAERO Cc1ccccc1N(C)C(=O)c1csc(CC[NH3+])n1 ZINC000090953461 180074174 /nfs/dbraw/zinc/07/41/74/180074174.db2.gz AUKHFPYWYYUBGI-UHFFFAOYSA-N 1 0 275.377 2.229 10 0 CEAERO COCC1CCN(Cc2csc([C@@H](C)[NH3+])n2)CC1 ZINC000090958697 180074670 /nfs/dbraw/zinc/07/46/70/180074670.db2.gz AHPHZMWGJBBPIH-SNVBAGLBSA-N 1 0 269.414 2.021 10 0 CEAERO Nc1ccsc1C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000090959170 180075254 /nfs/dbraw/zinc/07/52/54/180075254.db2.gz RFCMAAKHFIMBKB-SNVBAGLBSA-N 1 0 276.361 2.260 10 0 CEAERO Nc1ccsc1C[NH2+]CCc1ccc2c(c1)OCCO2 ZINC000090958950 180075684 /nfs/dbraw/zinc/07/56/84/180075684.db2.gz GBMPQGYTBOENML-UHFFFAOYSA-N 1 0 290.388 2.434 10 0 CEAERO CCOC(=O)CCC[NH2+]Cc1sccc1NC(C)=O ZINC000090960801 180076289 /nfs/dbraw/zinc/07/62/89/180076289.db2.gz RVIXVPXGJOBBMB-UHFFFAOYSA-N 1 0 284.381 2.139 10 0 CEAERO CN(CC[C@H]1CCCC[NH2+]1)C(=O)[C@H]1Cc2ccccc21 ZINC000090983753 180080334 /nfs/dbraw/zinc/08/03/34/180080334.db2.gz VZOFKKYLBTXRMN-ZBFHGGJFSA-N 1 0 272.392 2.317 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCCN1C[C@@H]1Cc2ccccc21 ZINC000090993372 180082233 /nfs/dbraw/zinc/08/22/33/180082233.db2.gz OJXCCBAXHQFJAU-XJKSGUPXSA-N 1 0 270.376 2.069 10 0 CEAERO C[C@@H](Cn1cc(C[NH2+]C2CC2)c2ccccc21)C(N)=O ZINC000090995579 180082700 /nfs/dbraw/zinc/08/27/00/180082700.db2.gz GHTCYDQBQYNTBG-NSHDSACASA-N 1 0 271.364 2.015 10 0 CEAERO CCC[NH2+]Cc1cccn1Cc1nc(CCC)no1 ZINC000091001020 180083195 /nfs/dbraw/zinc/08/31/95/180083195.db2.gz ANUIMOCWAFUABO-UHFFFAOYSA-N 1 0 262.357 2.372 10 0 CEAERO CC(C)CCNC(=O)Cn1ccc(C[NH2+]C(C)C)c1 ZINC000091003652 180083764 /nfs/dbraw/zinc/08/37/64/180083764.db2.gz UOTKDSYVFGPKFU-UHFFFAOYSA-N 1 0 265.401 2.148 10 0 CEAERO C[NH2+]Cc1ccn(CCOc2ccc(OC)cc2)c1 ZINC000091003046 180083958 /nfs/dbraw/zinc/08/39/58/180083958.db2.gz AUTXEZJSDQQGNK-UHFFFAOYSA-N 1 0 260.337 2.295 10 0 CEAERO C[NH2+]Cc1ccn(Cc2nn(C)c3ccccc23)c1 ZINC000091003084 180084039 /nfs/dbraw/zinc/08/40/39/180084039.db2.gz PZENZCUTAZGCJC-UHFFFAOYSA-N 1 0 254.337 2.143 10 0 CEAERO CCc1nnc(Cn2ccc(C[NH2+]C(C)(C)C)c2)o1 ZINC000091004096 180084131 /nfs/dbraw/zinc/08/41/31/180084131.db2.gz DRRBCHXPSVTRFZ-UHFFFAOYSA-N 1 0 262.357 2.370 10 0 CEAERO CCCCNC(=O)Cn1ccc(C[NH2+]C(C)(C)C)c1 ZINC000091004106 180084155 /nfs/dbraw/zinc/08/41/55/180084155.db2.gz KPBCLIWBNHAYIS-UHFFFAOYSA-N 1 0 265.401 2.293 10 0 CEAERO C[C@@H]([NH3+])Cc1ccn(CCCOCC(F)(F)F)c1 ZINC000091005984 180084598 /nfs/dbraw/zinc/08/45/98/180084598.db2.gz GJJBAXCAMROZDX-SNVBAGLBSA-N 1 0 264.291 2.347 10 0 CEAERO CC[NH2+]Cc1cn(CCn2ccnc2)c2ncccc12 ZINC000091020044 180087811 /nfs/dbraw/zinc/08/78/11/180087811.db2.gz JMDQPZVKJRJSED-UHFFFAOYSA-N 1 0 269.352 2.043 10 0 CEAERO C[NH2+]Cc1cn(Cc2cccc(OC)n2)c2ncccc12 ZINC000091019819 180088308 /nfs/dbraw/zinc/08/83/08/180088308.db2.gz TXJMRLBGIQJTEL-UHFFFAOYSA-N 1 0 282.347 2.208 10 0 CEAERO COCC[NH2+]Cc1cn(CC(C)C)c2ncccc12 ZINC000091021243 180088705 /nfs/dbraw/zinc/08/87/05/180088705.db2.gz QZFVWFUQSWQHMG-UHFFFAOYSA-N 1 0 261.369 2.428 10 0 CEAERO CCCn1cccc1C[C@H]([NH3+])CCC(=O)OCC ZINC000091022158 180088709 /nfs/dbraw/zinc/08/87/09/180088709.db2.gz HHVKENSVOKXXMI-GFCCVEGCSA-N 1 0 252.358 2.111 10 0 CEAERO CCn1cccc1C[NH2+]C1CCN(C(=O)C(C)C)CC1 ZINC000091025197 180089231 /nfs/dbraw/zinc/08/92/31/180089231.db2.gz VDPXFDUWDBTVRU-UHFFFAOYSA-N 1 0 277.412 2.245 10 0 CEAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CCC[NH2+][C@H]12 ZINC000669385043 539766616 /nfs/dbraw/zinc/76/66/16/539766616.db2.gz UZPSRRZDYUNCBW-TUAOUCFPSA-N 1 0 254.374 2.432 10 0 CEAERO CCC1CCC([N@H+](C)[C@@H](CN)CC(=O)N2CCCC2)CC1 ZINC000091323425 180134655 /nfs/dbraw/zinc/13/46/55/180134655.db2.gz IDJHWAVQFYZFOR-UYSNPLJNSA-N 1 0 295.471 2.227 10 0 CEAERO CCN(CC)C(=O)C[C@H](CN)[N@H+](C)C1CCC(C)CC1 ZINC000091322767 180134743 /nfs/dbraw/zinc/13/47/43/180134743.db2.gz BIPXFPQYNDHFQY-YMAMQOFZSA-N 1 0 283.460 2.083 10 0 CEAERO CCN(CC)C(=O)C[C@@H](CN)[N@@H+]1CCCC(C)(C)CC1 ZINC000091322985 180134825 /nfs/dbraw/zinc/13/48/25/180134825.db2.gz VIHISNFVHRFSLZ-AWEZNQCLSA-N 1 0 283.460 2.084 10 0 CEAERO CN(Cc1ccncc1)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000091359604 180140442 /nfs/dbraw/zinc/14/04/42/180140442.db2.gz LFEWVLJGQAGFMT-PMPSAXMXSA-N 1 0 287.407 2.351 10 0 CEAERO O=C(NCCc1ccco1)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091359482 180140525 /nfs/dbraw/zinc/14/05/25/180140525.db2.gz QYYMSEHHGVYGRW-QEJZJMRPSA-N 1 0 276.380 2.249 10 0 CEAERO O=C(NC1(CO)CCCCC1)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091361050 180141071 /nfs/dbraw/zinc/14/10/71/180141071.db2.gz RKYSSDZFWXHSQU-KKUMJFAQSA-N 1 0 294.439 2.109 10 0 CEAERO CC(C)C[C@](C)(O)CNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091361953 180141899 /nfs/dbraw/zinc/14/18/99/180141899.db2.gz VBNKHQLWPCCDOZ-JKQORVJESA-N 1 0 296.455 2.211 10 0 CEAERO C[C@@H](CO)CS[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000091256616 180115299 /nfs/dbraw/zinc/11/52/99/180115299.db2.gz KDQWTUBQKGYGGM-JQWIXIFHSA-N 1 0 252.383 2.415 10 0 CEAERO C[C@H](CCO)SC[C@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000091268860 180116804 /nfs/dbraw/zinc/11/68/04/180116804.db2.gz JOUBFLKCTPJGGX-YPMHNXCESA-N 1 0 297.420 2.352 10 0 CEAERO CCC[NH2+][C@@H](CC(=O)OC)c1cncn1C(C)C ZINC000091274095 180118615 /nfs/dbraw/zinc/11/86/15/180118615.db2.gz CIJVBKPLLDTKOH-NSHDSACASA-N 1 0 253.346 2.068 10 0 CEAERO CCN(Cc1cncn1C1CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000091277015 180120163 /nfs/dbraw/zinc/12/01/63/180120163.db2.gz XXDFSCCJEYSFNK-NNQSOWQGSA-N 1 0 274.412 2.323 10 0 CEAERO CN(c1cccc(F)c1)[C@@H](C[NH3+])c1cncn1C1CC1 ZINC000091276493 180120429 /nfs/dbraw/zinc/12/04/29/180120429.db2.gz BHTARUNFRTXHLP-AWEZNQCLSA-N 1 0 274.343 2.493 10 0 CEAERO CC(C)(C)c1csc(NC(=O)C[C@@H]2CSCC[NH2+]2)n1 ZINC000091290498 180121866 /nfs/dbraw/zinc/12/18/66/180121866.db2.gz PDMVNZJKEDRFEJ-SECBINFHSA-N 1 0 299.465 2.474 10 0 CEAERO CC[C@@H](NCC[C@@H]1CSCC[NH2+]1)c1nccs1 ZINC000091292341 180123479 /nfs/dbraw/zinc/12/34/79/180123479.db2.gz YHLADYMMMHYWOX-GHMZBOCLSA-N 1 0 271.455 2.279 10 0 CEAERO CC[C@@H]1CCC[C@@H](c2noc(C[C@@H]3C[NH2+]CCO3)n2)C1 ZINC000091295193 180124495 /nfs/dbraw/zinc/12/44/95/180124495.db2.gz KQFPODMCMWANRK-JHJVBQTASA-N 1 0 279.384 2.284 10 0 CEAERO Cc1ccc([C@H](O)CN2CCC[C@H]([NH+](C)C)C2)c(C)c1 ZINC000091428251 180153054 /nfs/dbraw/zinc/15/30/54/180153054.db2.gz TVGKBAXGADJOML-DOTOQJQBSA-N 1 0 276.424 2.363 10 0 CEAERO C[C@@H]1CCC(=O)[C@H](C[N@@H+]2CCC[C@H](N(C)C)C2)C1 ZINC000091431807 180153442 /nfs/dbraw/zinc/15/34/42/180153442.db2.gz SHNPOFNCHXOGEF-RDBSUJKOSA-N 1 0 252.402 2.018 10 0 CEAERO CCOc1cc2c(cc1C[NH2+]C1CC(O)C1)O[C@@H](C)C2 ZINC000091432157 180153901 /nfs/dbraw/zinc/15/39/01/180153901.db2.gz PEYAKJMNWFVXHC-FNBIGBAISA-N 1 0 277.364 2.022 10 0 CEAERO CCOc1cccc(Oc2cncc(C[NH2+]C)n2)c1 ZINC000091435140 180154374 /nfs/dbraw/zinc/15/43/74/180154374.db2.gz VPDSJPMEWOPACT-UHFFFAOYSA-N 1 0 259.309 2.387 10 0 CEAERO CC[NH2+]Cc1cncc(Oc2ccc3c(c2)OCO3)n1 ZINC000091434103 180154666 /nfs/dbraw/zinc/15/46/66/180154666.db2.gz WGTYQZPOSHPTPH-UHFFFAOYSA-N 1 0 273.292 2.107 10 0 CEAERO C[N@@H+](Cc1ccc(N)cc1Cl)CC1CC(O)C1 ZINC000091450835 180159191 /nfs/dbraw/zinc/15/91/91/180159191.db2.gz AIZPQMJXMKBWFU-UHFFFAOYSA-N 1 0 254.761 2.125 10 0 CEAERO CCN(C(=O)c1ccncc1Cl)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000091457154 180160871 /nfs/dbraw/zinc/16/08/71/180160871.db2.gz XZEQTFDKXSKHBQ-ZWNOBZJWSA-N 1 0 281.787 2.325 10 0 CEAERO CC[C@@H](N)[C@@H](c1ccccc1C)[N@H+](C)CC1CC(O)C1 ZINC000091463316 180162630 /nfs/dbraw/zinc/16/26/30/180162630.db2.gz VTOQRJAUUBRGGB-GMGZGELVSA-N 1 0 276.424 2.476 10 0 CEAERO [NH3+][C@H](c1noc(-c2ccncc2Cl)n1)C1CC1 ZINC000091464177 180163004 /nfs/dbraw/zinc/16/30/04/180163004.db2.gz QGUZHLJAGLBHDG-VIFPVBQESA-N 1 0 250.689 2.195 10 0 CEAERO Cc1ccc(C)c(CN2CCN(C3CC[NH2+]CC3)C2=O)c1 ZINC000091502324 180175372 /nfs/dbraw/zinc/17/53/72/180175372.db2.gz AXTQEISQLSLHAZ-UHFFFAOYSA-N 1 0 287.407 2.293 10 0 CEAERO CC[NH2+]CC[C@](C)(O)Cc1nn(CC)c2ccccc12 ZINC000091464686 180163224 /nfs/dbraw/zinc/16/32/24/180163224.db2.gz NXEFFDYPSIFVNJ-INIZCTEOSA-N 1 0 275.396 2.349 10 0 CEAERO CC(C)[NH2+]CC[C@@](C)(O)Cc1ccn(C(C)C)n1 ZINC000091465445 180163838 /nfs/dbraw/zinc/16/38/38/180163838.db2.gz LDENJZBNJBDGJP-CQSZACIVSA-N 1 0 253.390 2.146 10 0 CEAERO CCc1nn(CC)c(C[C@](C)(O)CC[NH2+]C)c1Cl ZINC000091467914 180164244 /nfs/dbraw/zinc/16/42/44/180164244.db2.gz ZHADGHPGOLPXTK-CYBMUJFWSA-N 1 0 273.808 2.022 10 0 CEAERO CC(C)[NH2+]CC[C@](C)(O)c1ccc2c(c1)OCCO2 ZINC000091470097 180164808 /nfs/dbraw/zinc/16/48/08/180164808.db2.gz LPNAFSMZVVSDQS-HNNXBMFYSA-N 1 0 265.353 2.053 10 0 CEAERO CCC[NH2+][C@@H]([C@H](C)c1ccncc1)C(C)(C)S(C)(=O)=O ZINC000091379990 180143645 /nfs/dbraw/zinc/14/36/45/180143645.db2.gz JYAGYXLGOZJGFR-OCCSQVGLSA-N 1 0 298.452 2.377 10 0 CEAERO COc1ccc(-c2csc([C@H]3C[NH2+]CCO3)n2)cc1 ZINC000091500224 180174673 /nfs/dbraw/zinc/17/46/73/180174673.db2.gz WMGSGLGCOGARPZ-CYBMUJFWSA-N 1 0 276.361 2.480 10 0 CEAERO COc1cccc(-c2csc([C@@H]3C[NH2+]CCO3)n2)c1 ZINC000091501003 180174737 /nfs/dbraw/zinc/17/47/37/180174737.db2.gz NGZURUPTWDCSQQ-ZDUSSCGKSA-N 1 0 276.361 2.480 10 0 CEAERO C[C@@H](O)C(C)(C)CN1CCC([NH+]2CCCCC2)CC1 ZINC000091405783 180147802 /nfs/dbraw/zinc/14/78/02/180147802.db2.gz WOMFTOIMBFCPDR-CQSZACIVSA-N 1 0 268.445 2.344 10 0 CEAERO C[C@H](c1ccccc1F)N(C)c1cncc(C[NH3+])n1 ZINC000091421291 180150466 /nfs/dbraw/zinc/15/04/66/180150466.db2.gz NWCCEDROLXRVIB-SNVBAGLBSA-N 1 0 260.316 2.272 10 0 CEAERO Cc1nn(-c2cncc(C[NH2+]C(C)C)n2)c(C)c1Cl ZINC000091422263 180151167 /nfs/dbraw/zinc/15/11/67/180151167.db2.gz URZXFYRIUMJOMW-UHFFFAOYSA-N 1 0 279.775 2.431 10 0 CEAERO CC(C)[NH2+]Cc1cncc(-n2ccc(C3CC3)n2)n1 ZINC000091422506 180151214 /nfs/dbraw/zinc/15/12/14/180151214.db2.gz VTUABBCGVRIZRH-UHFFFAOYSA-N 1 0 257.341 2.038 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]CC2CC(O)C2)C12CCCC2 ZINC000091424312 180151240 /nfs/dbraw/zinc/15/12/40/180151240.db2.gz NBGOMRZIYDGXIE-CLRIEMFWSA-N 1 0 253.386 2.085 10 0 CEAERO CC[NH2+][C@H](c1cncnc1)C(C)(C)N1CCCCC1 ZINC000091565079 180193656 /nfs/dbraw/zinc/19/36/56/180193656.db2.gz OAWXYGQSIZZQNB-CQSZACIVSA-N 1 0 262.401 2.392 10 0 CEAERO Cc1ccc([C@@H]([NH3+])C(C)(C)N2CCOCC2)cc1C ZINC000091566308 180194068 /nfs/dbraw/zinc/19/40/68/180194068.db2.gz PEPXOAQWCIMSSU-OAHLLOKOSA-N 1 0 262.397 2.414 10 0 CEAERO CC(C)([C@@H]([NH3+])CCc1ccccc1)N1CCOCC1 ZINC000091566396 180194262 /nfs/dbraw/zinc/19/42/62/180194262.db2.gz KNVBXCVIAJVVQW-HNNXBMFYSA-N 1 0 262.397 2.057 10 0 CEAERO Cn1cc([C@@H](N)C(C)(C)[NH+]2CCCCCC2)cn1 ZINC000091567945 180194676 /nfs/dbraw/zinc/19/46/76/180194676.db2.gz LTTCYAKJEMLTRB-CYBMUJFWSA-N 1 0 250.390 2.075 10 0 CEAERO C[NH2+][C@H](CCC(F)(F)F)C(C)(C)N1CCOCC1 ZINC000091566744 180194926 /nfs/dbraw/zinc/19/49/26/180194926.db2.gz PHIURXIAHVKWGY-SNVBAGLBSA-N 1 0 268.323 2.028 10 0 CEAERO CC[C@@](C)([C@H]([NH2+]C)c1ccc2c(c1)OCCO2)N(C)C ZINC000091570536 180195335 /nfs/dbraw/zinc/19/53/35/180195335.db2.gz DUJLWHDHXQWXJU-CVEARBPZSA-N 1 0 278.396 2.449 10 0 CEAERO CC[C@@](C)([C@@H](O)Cc1ccn(C(C)C)n1)[NH+](C)C ZINC000091569474 180195517 /nfs/dbraw/zinc/19/55/17/180195517.db2.gz GOBFWGBPWLXQJH-KBPBESRZSA-N 1 0 253.390 2.098 10 0 CEAERO CC[C@](C)([C@@H](O)c1cc(Cl)cnc1N)[NH+](C)C ZINC000091569127 180195525 /nfs/dbraw/zinc/19/55/25/180195525.db2.gz XWXSWJRSPBOZMS-CMPLNLGQSA-N 1 0 257.765 2.081 10 0 CEAERO CC[NH2+][C@@H](Cc1ncnn1CC(C)C)[C@@](C)(CC)N(C)C ZINC000091570975 180195560 /nfs/dbraw/zinc/19/55/60/180195560.db2.gz ZTTPRWIYUFAGNK-GOEBONIOSA-N 1 0 295.475 2.185 10 0 CEAERO CC[C@@](C)([C@H](O)c1cc(OC)ccc1OC)[NH+](C)C ZINC000091569512 180195648 /nfs/dbraw/zinc/19/56/48/180195648.db2.gz IHRVHUGTKYQAFP-CABCVRRESA-N 1 0 267.369 2.468 10 0 CEAERO CC[C@@](C)([C@@H](N)Cc1ccn(C(C)C)n1)[NH+](C)C ZINC000091570082 180195775 /nfs/dbraw/zinc/19/57/75/180195775.db2.gz VXBGBZGCDXCDLR-KBPBESRZSA-N 1 0 252.406 2.064 10 0 CEAERO CC[C@](C)([C@@H](O)Cc1cccc(OC)c1)[NH+](C)C ZINC000091569551 180195914 /nfs/dbraw/zinc/19/59/14/180195914.db2.gz BMDUQOCWAIGYNH-LSDHHAIUSA-N 1 0 251.370 2.329 10 0 CEAERO CCC[NH2+][C@@H](c1cnccn1)[C@](C)(CC)N(C)C ZINC000091571782 180196077 /nfs/dbraw/zinc/19/60/77/180196077.db2.gz QTZLKZYICBQNLU-KBPBESRZSA-N 1 0 250.390 2.248 10 0 CEAERO CCC[NH2+][C@H](c1cccnc1N)[C@@](C)(CC)N(C)C ZINC000091572277 180196127 /nfs/dbraw/zinc/19/61/27/180196127.db2.gz BZABSHFBYWVNTF-UKRRQHHQSA-N 1 0 264.417 2.435 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@@H](O)c1cnccc1N ZINC000091573398 180196705 /nfs/dbraw/zinc/19/67/05/180196705.db2.gz DQNPETYIBCGXRP-KBPBESRZSA-N 1 0 251.374 2.208 10 0 CEAERO CCCn1ncnc1C[C@H](N)[C@](C)(CC)[NH+](CC)CC ZINC000091574050 180197276 /nfs/dbraw/zinc/19/72/76/180197276.db2.gz SKPBGIIAKKUNMG-ZFWWWQNUSA-N 1 0 281.448 2.068 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@@H](NC)c1nccn1C ZINC000091599373 180201917 /nfs/dbraw/zinc/20/19/17/180201917.db2.gz XNMCTUSIGWCWMM-GXTWGEPZSA-N 1 0 252.406 2.191 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@@H](NC)c1cnccc1N ZINC000091599379 180202368 /nfs/dbraw/zinc/20/23/68/180202368.db2.gz MPVIFXRUOOVBCO-GJZGRUSLSA-N 1 0 264.417 2.435 10 0 CEAERO CC[NH2+][C@H](Cc1ncnn1CC)[C@@](C)(CC)N(CC)CC ZINC000091601016 180202989 /nfs/dbraw/zinc/20/29/89/180202989.db2.gz RDEBSZOEJUBCDT-GDBMZVCRSA-N 1 0 295.475 2.329 10 0 CEAERO CC[NH2+][C@@H](Cc1ncnn1CC)[C@](C)(CC)N(CC)CC ZINC000091601017 180203086 /nfs/dbraw/zinc/20/30/86/180203086.db2.gz RDEBSZOEJUBCDT-HOCLYGCPSA-N 1 0 295.475 2.329 10 0 CEAERO CCCn1ncnc1C[C@H]([NH2+]C)[C@](C)(CC)N1CCCC1 ZINC000091606874 180203923 /nfs/dbraw/zinc/20/39/23/180203923.db2.gz RYKOOCJYUZPBTO-HOCLYGCPSA-N 1 0 293.459 2.083 10 0 CEAERO CC[NH2+][C@H](c1cnn(C)c1)[C@](C)(CC)N1CCCC1 ZINC000091607385 180203937 /nfs/dbraw/zinc/20/39/37/180203937.db2.gz XMAHFVDEUUSWOS-CABCVRRESA-N 1 0 264.417 2.335 10 0 CEAERO CC[C@](C)([C@@H](Cc1cccnc1N)[NH2+]C)N1CCCCC1 ZINC000091609746 180205072 /nfs/dbraw/zinc/20/50/72/180205072.db2.gz LHRNBRIKZZXRPL-NVXWUHKLSA-N 1 0 290.455 2.449 10 0 CEAERO CC[C@](C)([C@H](Cc1ccnc(N)c1)[NH2+]C)N1CCCCC1 ZINC000091609644 180205555 /nfs/dbraw/zinc/20/55/55/180205555.db2.gz HHGHCIRONNKFGQ-DOTOQJQBSA-N 1 0 290.455 2.449 10 0 CEAERO CC[C@@](C)([C@H]([NH3+])Cc1ccccc1C)N1CCOCC1 ZINC000091611917 180206430 /nfs/dbraw/zinc/20/64/30/180206430.db2.gz RROKEBMGTYILPV-SJORKVTESA-N 1 0 276.424 2.366 10 0 CEAERO CC[C@](C)([C@@H]([NH3+])c1cccc(OC)c1)N1CCOCC1 ZINC000091611692 180206579 /nfs/dbraw/zinc/20/65/79/180206579.db2.gz JKLUNDRWURJEKC-JKSUJKDBSA-N 1 0 278.396 2.196 10 0 CEAERO CC[C@@](C)([C@@H]([NH3+])c1ccccc1C)N1CCOCC1 ZINC000091611583 180206739 /nfs/dbraw/zinc/20/67/39/180206739.db2.gz GLCCFDJARMQWNG-HOTGVXAUSA-N 1 0 262.397 2.496 10 0 CEAERO CC[C@](C)([C@@H]([NH3+])c1cccc(F)c1)N1CCOCC1 ZINC000091611908 180206755 /nfs/dbraw/zinc/20/67/55/180206755.db2.gz XRQRLPINLNCCPW-LSDHHAIUSA-N 1 0 266.360 2.326 10 0 CEAERO CC[C@@](C)([C@@H]([NH2+]C)c1ccc(OC)cc1)N1CCOCC1 ZINC000091612219 180207156 /nfs/dbraw/zinc/20/71/56/180207156.db2.gz HUCRBKOTTFRJHK-IRXDYDNUSA-N 1 0 292.423 2.457 10 0 CEAERO CCC[NH2+][C@@H](C1CCOCC1)[C@](C)(CC)N1CCOCC1 ZINC000091613079 180207169 /nfs/dbraw/zinc/20/71/69/180207169.db2.gz SMURHIDRKBUDIZ-IRXDYDNUSA-N 1 0 298.471 2.282 10 0 CEAERO CC[C@](C)([C@H]([NH3+])Cc1ccc(F)cc1)N1CCOCC1 ZINC000091612006 180207331 /nfs/dbraw/zinc/20/73/31/180207331.db2.gz BYNMLOICFQFGOG-HZPDHXFCSA-N 1 0 280.387 2.196 10 0 CEAERO CC[C@@](C)([C@@H](CC1CCC1)[NH2+]C)N1CCOCC1 ZINC000091612717 180207523 /nfs/dbraw/zinc/20/75/23/180207523.db2.gz IKDCNCMNVAOOLE-CABCVRRESA-N 1 0 254.418 2.266 10 0 CEAERO CCC(CC)([C@@H](N)c1c(C)ccnc1N)[NH+](C)C ZINC000091613926 180207772 /nfs/dbraw/zinc/20/77/72/180207772.db2.gz SZUQOWSIDISXNX-LBPRGKRZSA-N 1 0 250.390 2.092 10 0 CEAERO CCC(CC)([C@@H](N)c1cc(Cl)cnc1N)[NH+](C)C ZINC000091613900 180208017 /nfs/dbraw/zinc/20/80/17/180208017.db2.gz IZLHZLMGVFZRKZ-NSHDSACASA-N 1 0 270.808 2.437 10 0 CEAERO CC[NH2+][C@H](c1cnccn1)C(CC)(CC)N(C)C ZINC000091614670 180208160 /nfs/dbraw/zinc/20/81/60/180208160.db2.gz RGEKQOWXNJQLPC-CYBMUJFWSA-N 1 0 250.390 2.248 10 0 CEAERO Cc1nc(NC(=O)[C@@]2(C)CC[NH2+]C2)ccc1Br ZINC000091507229 180176121 /nfs/dbraw/zinc/17/61/21/180176121.db2.gz XSSBTJTVVIJUMN-LBPRGKRZSA-N 1 0 298.184 2.091 10 0 CEAERO Cc1nc(NC(=O)[C@]2(C)CC[NH2+]C2)ccc1Br ZINC000091507228 180176435 /nfs/dbraw/zinc/17/64/35/180176435.db2.gz XSSBTJTVVIJUMN-GFCCVEGCSA-N 1 0 298.184 2.091 10 0 CEAERO COC(=O)[C@]1(Nc2cc(C)cc(F)c2)C[NH+]2CCC1CC2 ZINC000091514828 180176678 /nfs/dbraw/zinc/17/66/78/180176678.db2.gz IMHZZMNTYUZPDS-INIZCTEOSA-N 1 0 292.354 2.183 10 0 CEAERO COC(=O)[C@@]1(Nc2cc(C)cc(F)c2)C[NH+]2CCC1CC2 ZINC000091514826 180176696 /nfs/dbraw/zinc/17/66/96/180176696.db2.gz IMHZZMNTYUZPDS-MRXNPFEDSA-N 1 0 292.354 2.183 10 0 CEAERO Cc1cc(F)cc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000091514066 180176815 /nfs/dbraw/zinc/17/68/15/180176815.db2.gz FEVDGGXKICCEQH-GXFFZTMASA-N 1 0 250.317 2.448 10 0 CEAERO Cc1cc(F)cc(N[C@@]2(CO)CC[N@@H+](C3CC3)C2)c1 ZINC000091517827 180177621 /nfs/dbraw/zinc/17/76/21/180177621.db2.gz UUXKFXKDMWQEHQ-HNNXBMFYSA-N 1 0 264.344 2.145 10 0 CEAERO COCC[NH2+]CC[C@@](C)(O)c1cc(C)ccc1C ZINC000091519491 180178171 /nfs/dbraw/zinc/17/81/71/180178171.db2.gz VHMBNXNZJRKFQU-OAHLLOKOSA-N 1 0 251.370 2.137 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]CC2CC(O)C2)C12CCCCC2 ZINC000091524455 180178212 /nfs/dbraw/zinc/17/82/12/180178212.db2.gz WALBSXVQWIKKND-NEXFUWMNSA-N 1 0 267.413 2.475 10 0 CEAERO CCc1ccc([C@](C)(O)CC[NH2+]CCOC)cc1 ZINC000091519489 180178368 /nfs/dbraw/zinc/17/83/68/180178368.db2.gz LSZPFNRULLVHEM-OAHLLOKOSA-N 1 0 251.370 2.083 10 0 CEAERO COCC[NH2+]CC[C@](C)(O)Cc1ccc2c(c1)CCC2 ZINC000091521882 180178390 /nfs/dbraw/zinc/17/83/90/180178390.db2.gz ZSNXBAOUUNELPN-KRWDZBQOSA-N 1 0 277.408 2.095 10 0 CEAERO C[C@](O)(C[NH3+])Cc1nc(-c2cccc3ccccc32)no1 ZINC000091522893 180178440 /nfs/dbraw/zinc/17/84/40/180178440.db2.gz XCSBDYYCGPPTAF-MRXNPFEDSA-N 1 0 283.331 2.142 10 0 CEAERO CC(C)Cc1ccc([C@@H](O)C[NH2+]CC2CC(O)C2)cc1 ZINC000091525677 180179021 /nfs/dbraw/zinc/17/90/21/180179021.db2.gz HZMQKMJOORMHCU-PREGVCBESA-N 1 0 277.408 2.279 10 0 CEAERO Cc1cc(F)cc(-n2cc(C[NH2+]CC(C)C)nn2)c1 ZINC000091527581 180179319 /nfs/dbraw/zinc/17/93/19/180179319.db2.gz NIDOQFXPLKMSKU-UHFFFAOYSA-N 1 0 262.332 2.460 10 0 CEAERO CCC(CC)n1ccc(C[C@H](O)C(C)(C)[NH+](C)C)n1 ZINC000091528341 180179940 /nfs/dbraw/zinc/17/99/40/180179940.db2.gz WFHGAGXGRMCRDX-AWEZNQCLSA-N 1 0 267.417 2.488 10 0 CEAERO CC[NH+](CC)C(C)(C)[C@@H](O)Cc1ccn(C(C)C)n1 ZINC000091530161 180180507 /nfs/dbraw/zinc/18/05/07/180180507.db2.gz OGWFLQYENPIWHQ-AWEZNQCLSA-N 1 0 267.417 2.488 10 0 CEAERO C[NH2+][C@H](Cc1ncc(C)c(OC)c1C)C(C)(C)N(C)C ZINC000091528598 180180586 /nfs/dbraw/zinc/18/05/86/180180586.db2.gz PMDFXRVSSZODRW-CQSZACIVSA-N 1 0 279.428 2.178 10 0 CEAERO CC[NH2+][C@@H](c1cccnc1N)C(C)(C)N(CC)CC ZINC000091531841 180181179 /nfs/dbraw/zinc/18/11/79/180181179.db2.gz UMNLKXWNXMGIAO-ZDUSSCGKSA-N 1 0 264.417 2.435 10 0 CEAERO C[NH2+][C@H](c1cc(Cl)cnc1N)C(C)(C)N1CCCC1 ZINC000091534381 180181268 /nfs/dbraw/zinc/18/12/68/180181268.db2.gz MSYJQWUEANQCMI-GFCCVEGCSA-N 1 0 282.819 2.452 10 0 CEAERO CCn1cc([C@@H]([NH2+]C)C(C)(C)N2CCCC2)cn1 ZINC000091534845 180181917 /nfs/dbraw/zinc/18/19/17/180181917.db2.gz IXWICGNCVHOVSE-CYBMUJFWSA-N 1 0 250.390 2.038 10 0 CEAERO CC[NH2+][C@H](Cc1ncnn1C(C)C)C(C)(C)N1CCCC1 ZINC000091535970 180182502 /nfs/dbraw/zinc/18/25/02/180182502.db2.gz FRTNERSWAVTVDH-CQSZACIVSA-N 1 0 293.459 2.254 10 0 CEAERO CCN[C@@H](Cc1ncnn1C)C(CC)(CC)[NH+](CC)CC ZINC000091634022 180210226 /nfs/dbraw/zinc/21/02/26/180210226.db2.gz GCDXYQFNFGBOBK-AWEZNQCLSA-N 1 0 295.475 2.236 10 0 CEAERO Cc1nn(C)c(C[C@@H](O)C2([NH+](C)C)CCCC2)c1Cl ZINC000091636911 180211093 /nfs/dbraw/zinc/21/10/93/180211093.db2.gz OOTNIEKLDHSXTR-GFCCVEGCSA-N 1 0 285.819 2.160 10 0 CEAERO Cn1nc(C[C@H](N)C2([NH+](C)C)CCCC2)c2ccccc21 ZINC000091637196 180211212 /nfs/dbraw/zinc/21/12/12/180211212.db2.gz CTIYZALYJHHVAS-INIZCTEOSA-N 1 0 286.423 2.318 10 0 CEAERO COc1c(C)cnc(C[C@@H](N)C2([NH+](C)C)CCCC2)c1C ZINC000091637165 180211688 /nfs/dbraw/zinc/21/16/88/180211688.db2.gz IWXVNWMOTUKTRE-OAHLLOKOSA-N 1 0 291.439 2.451 10 0 CEAERO CCC[NH2+][C@@H](Cc1ncnn1CC)C1(N(C)C)CCCC1 ZINC000091638503 180212242 /nfs/dbraw/zinc/21/22/42/180212242.db2.gz HOXHWVQPTKCZJU-AWEZNQCLSA-N 1 0 293.459 2.083 10 0 CEAERO CC[NH2+][C@@H](c1c(C)ccnc1N)C1(N(C)C)CCCC1 ZINC000091637951 180212459 /nfs/dbraw/zinc/21/24/59/180212459.db2.gz MLFIXYXBQLMDSR-AWEZNQCLSA-N 1 0 276.428 2.497 10 0 CEAERO Nc1cc(C[C@@H](N)C2([NH+]3CCCCC3)CCCC2)ccn1 ZINC000091641839 180213079 /nfs/dbraw/zinc/21/30/79/180213079.db2.gz XPFVFWJMNSEYIN-OAHLLOKOSA-N 1 0 288.439 2.332 10 0 CEAERO Cc1cnc(N)c([C@@H](N)C2([NH+]3CCCC3)CCCC2)c1 ZINC000091640547 180213139 /nfs/dbraw/zinc/21/31/39/180213139.db2.gz XCXQNMYMQJWUIS-CQSZACIVSA-N 1 0 274.412 2.381 10 0 CEAERO C[NH2+][C@H](c1cnn(C)c1)C1(N2CCCCC2)CCCC1 ZINC000091642172 180213326 /nfs/dbraw/zinc/21/33/26/180213326.db2.gz QFARWZFAGCRNBV-OAHLLOKOSA-N 1 0 276.428 2.479 10 0 CEAERO [NH3+][C@@H](Cc1cccc(F)c1)C1(N2CCOCC2)CCCC1 ZINC000091642959 180213897 /nfs/dbraw/zinc/21/38/97/180213897.db2.gz DLHHOIUPOSWLHK-INIZCTEOSA-N 1 0 292.398 2.341 10 0 CEAERO COc1ccccc1[C@@H]([NH3+])C1(N2CCOCC2)CCCC1 ZINC000091642859 180213898 /nfs/dbraw/zinc/21/38/98/180213898.db2.gz QUIGVICLNSSZTG-MRXNPFEDSA-N 1 0 290.407 2.340 10 0 CEAERO [NH3+][C@H](CCC[C@@H]1CCCO1)C1(N2CCOCC2)CCCC1 ZINC000091643073 180214295 /nfs/dbraw/zinc/21/42/95/180214295.db2.gz YDHBDKUUONRBAU-HZPDHXFCSA-N 1 0 296.455 2.308 10 0 CEAERO O[C@H](c1ccccc1)C1([NH+]2CCOCC2)CCCC1 ZINC000091642554 180214368 /nfs/dbraw/zinc/21/43/68/180214368.db2.gz BMULJIUKOKPZDJ-OAHLLOKOSA-N 1 0 261.365 2.365 10 0 CEAERO CC(C)Cn1ncnc1CC(=O)C1([NH+](C)C)CCCCC1 ZINC000091646403 180215237 /nfs/dbraw/zinc/21/52/37/180215237.db2.gz LCLWDHQYWISVJE-UHFFFAOYSA-N 1 0 292.427 2.310 10 0 CEAERO CC(C)Cn1ncnc1C[C@H](N)C1([NH+](C)C)CCCCC1 ZINC000091646995 180215369 /nfs/dbraw/zinc/21/53/69/180215369.db2.gz OLEULKVVVMKTEQ-AWEZNQCLSA-N 1 0 293.459 2.068 10 0 CEAERO C[NH2+][C@@H](c1c(C)ccnc1N)C1(N(C)C)CCCCC1 ZINC000091647424 180215618 /nfs/dbraw/zinc/21/56/18/180215618.db2.gz RTVJSXPYHMBJHI-AWEZNQCLSA-N 1 0 276.428 2.497 10 0 CEAERO C[NH2+][C@H](Cc1ccnc(N)c1)C1(N(C)C)CCCCC1 ZINC000091647408 180215855 /nfs/dbraw/zinc/21/58/55/180215855.db2.gz KDQLXSHJBZSXKR-CQSZACIVSA-N 1 0 276.428 2.059 10 0 CEAERO C[C@@H]1CCC[C@@](C(=O)c2cnccc2N)([NH+](C)C)C1 ZINC000091650575 180216557 /nfs/dbraw/zinc/21/65/57/180216557.db2.gz XIAMZCLSZUMHKK-IAQYHMDHSA-N 1 0 261.369 2.357 10 0 CEAERO Cc1ccnc(N)c1[C@H](N)[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000091651968 180217453 /nfs/dbraw/zinc/21/74/53/180217453.db2.gz GXSRVCZIIUCYKU-PJODQICGSA-N 1 0 276.428 2.483 10 0 CEAERO Cc1cnc(Cl)nc1NCC[NH+]1CCCCC1 ZINC000091658591 180218582 /nfs/dbraw/zinc/21/85/82/180218582.db2.gz AVUUAVUFVSGWPX-UHFFFAOYSA-N 1 0 254.765 2.336 10 0 CEAERO Cc1cccc(C2CC([NH2+]C[C@@H]3CN(C)CCO3)C2)c1 ZINC000091667094 180223102 /nfs/dbraw/zinc/22/31/02/180223102.db2.gz NRWMONFKNZAOBC-OFLPRAFFSA-N 1 0 274.408 2.161 10 0 CEAERO CC[NH+](CC)CC[C@H](O)Cc1ccncc1Cl ZINC000091714348 180231716 /nfs/dbraw/zinc/23/17/16/180231716.db2.gz OMYCZSMEYMCPQH-LBPRGKRZSA-N 1 0 256.777 2.370 10 0 CEAERO C[NH2+][C@@H](Cc1c(C)cc(C)cc1C)[C@H]1CN(C)CCO1 ZINC000091717884 180232289 /nfs/dbraw/zinc/23/22/89/180232289.db2.gz ZEKXVCAMCAXGNM-DLBZAZTESA-N 1 0 276.424 2.073 10 0 CEAERO C[NH2+][C@@H](c1cc(C)c(C)cc1C)[C@@H]1CN(C)CCO1 ZINC000091717507 180232487 /nfs/dbraw/zinc/23/24/87/180232487.db2.gz IZMQZPBQTASTQP-HOTGVXAUSA-N 1 0 262.397 2.203 10 0 CEAERO CCN[C@H](CC[NH+](CC)CC)c1nccn1CC ZINC000091716611 180232846 /nfs/dbraw/zinc/23/28/46/180232846.db2.gz MPTHXJODEHYIHP-CYBMUJFWSA-N 1 0 252.406 2.286 10 0 CEAERO CC[NH2+][C@@H](c1ccc(F)cc1C)[C@@H]1CN(C)CCO1 ZINC000091718714 180233142 /nfs/dbraw/zinc/23/31/42/180233142.db2.gz ZBAYTFDSEJKCDT-GJZGRUSLSA-N 1 0 266.360 2.115 10 0 CEAERO CC[NH2+][C@@H](c1ccc(C)c(C)c1)[C@@H]1CN(C)CCO1 ZINC000091718698 180233744 /nfs/dbraw/zinc/23/37/44/180233744.db2.gz LQTOVMGJAJBKDF-HOTGVXAUSA-N 1 0 262.397 2.285 10 0 CEAERO CC[NH2+][C@H](Cc1cc(C)cc(C)c1)[C@H]1CN(C)CCO1 ZINC000091718877 180233820 /nfs/dbraw/zinc/23/38/20/180233820.db2.gz QPZWWWBBYWTBTQ-IAGOWNOFSA-N 1 0 276.424 2.155 10 0 CEAERO CCC[NH2+][C@H](CCC(F)(F)F)[C@H]1CN(C)CCO1 ZINC000091719517 180234430 /nfs/dbraw/zinc/23/44/30/180234430.db2.gz HTSKZINJPITKCX-GHMZBOCLSA-N 1 0 268.323 2.028 10 0 CEAERO C[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1ccc(F)cc1Cl ZINC000624235734 350239350 /nfs/dbraw/zinc/23/93/50/350239350.db2.gz ONCWQCBIQHJDAC-AQUOVQTQSA-N 1 0 273.735 2.280 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1cccc(OC(F)F)c1 ZINC000624235546 350239436 /nfs/dbraw/zinc/23/94/36/350239436.db2.gz MEWUVVDVHMKWDO-BIMULSAOSA-N 1 0 287.306 2.088 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1cnc2ccsc2c1 ZINC000624237179 350240284 /nfs/dbraw/zinc/24/02/84/350240284.db2.gz RGAPCCOLUXIYMZ-NDMJEZRESA-N 1 0 278.377 2.097 10 0 CEAERO CN[C@H](c1ccc(F)c(F)c1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721237 180237762 /nfs/dbraw/zinc/23/77/62/180237762.db2.gz JNKHDTOIHLRCCJ-BYCMXARLSA-N 1 0 282.334 2.089 10 0 CEAERO CC(C)c1ccc(CN2C[C@@H]3C[NH2+]CCN3C2=O)cc1 ZINC000091750961 180246239 /nfs/dbraw/zinc/24/62/39/180246239.db2.gz QOWYKIYYMXTGTQ-HNNXBMFYSA-N 1 0 273.380 2.019 10 0 CEAERO CCC[C@@H](C)NC(=O)Cn1cccc1[C@@H](C)[NH2+]C ZINC000091801216 180259470 /nfs/dbraw/zinc/25/94/70/180259470.db2.gz VKRLYMOONQHGIJ-VXGBXAGGSA-N 1 0 251.374 2.073 10 0 CEAERO Cc1ccc(C)n1NC(=O)CCC(C)(C)CC[NH3+] ZINC000091795699 180257766 /nfs/dbraw/zinc/25/77/66/180257766.db2.gz XRCSEUBQMMPTCQ-UHFFFAOYSA-N 1 0 251.374 2.330 10 0 CEAERO O[C@@H]1CCCc2sc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)nc21 ZINC000091722640 180239958 /nfs/dbraw/zinc/23/99/58/180239958.db2.gz CJMLJGLEJUEZNK-GMTAPVOTSA-N 1 0 280.393 2.049 10 0 CEAERO CN1CCO[C@H](c2nc(C[NH3+])c(-c3ccccc3)s2)C1 ZINC000091723185 180241443 /nfs/dbraw/zinc/24/14/43/180241443.db2.gz UEHMDRYQMMQRDD-ZDUSSCGKSA-N 1 0 289.404 2.272 10 0 CEAERO CN1CCO[C@H](C[NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC000105472689 186058844 /nfs/dbraw/zinc/05/88/44/186058844.db2.gz UFPMMICZUHOLIF-MRXNPFEDSA-N 1 0 276.424 2.404 10 0 CEAERO CN1CCO[C@H](C[NH2+]Cc2ccc(Cl)c(Cl)c2)C1 ZINC000105472157 186059149 /nfs/dbraw/zinc/05/91/49/186059149.db2.gz LWKFSQSEFMIHNY-LLVKDONJSA-N 1 0 289.206 2.414 10 0 CEAERO CCC[NH2+][C@@H](C)[C@@H](CC)c1nc(CN(C)C)no1 ZINC000091747619 180245431 /nfs/dbraw/zinc/24/54/31/180245431.db2.gz ZUOGPOYIGQYXQY-WDEREUQCSA-N 1 0 254.378 2.013 10 0 CEAERO CCCN(C(=O)CC[C@H]1CCCO1)C1CCC([NH3+])CC1 ZINC000091851907 180272878 /nfs/dbraw/zinc/27/28/78/180272878.db2.gz AVSZDIYKDORHLE-YMAMQOFZSA-N 1 0 282.428 2.454 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)c2cccc(OC)c2)CC1 ZINC000091854564 180274732 /nfs/dbraw/zinc/27/47/32/180274732.db2.gz YTNGQNUHUGILKM-UHFFFAOYSA-N 1 0 276.380 2.298 10 0 CEAERO CCCNC(=O)Cn1cccc1[C@@H](C)[NH2+]CCC ZINC000091802361 180259749 /nfs/dbraw/zinc/25/97/49/180259749.db2.gz SDIUZBQQENLRKY-GFCCVEGCSA-N 1 0 251.374 2.075 10 0 CEAERO CCC[C@@H](C)NC(=O)Cn1ccc([C@H](C)[NH2+]CC)c1 ZINC000091805645 180260793 /nfs/dbraw/zinc/26/07/93/180260793.db2.gz RKUJZUCIRZDIDA-OLZOCXBDSA-N 1 0 265.401 2.463 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccn(CCC(=O)NCC)c1 ZINC000091806285 180260899 /nfs/dbraw/zinc/26/08/99/180260899.db2.gz BIUUEIVQFQHYDU-LBPRGKRZSA-N 1 0 251.374 2.075 10 0 CEAERO CC[C@@H]([NH3+])c1ccn(CC(=O)NC2CCCCC2)c1 ZINC000091816092 180261553 /nfs/dbraw/zinc/26/15/53/180261553.db2.gz DMRLIDNTVHEDTG-CQSZACIVSA-N 1 0 263.385 2.347 10 0 CEAERO CC[C@H]([NH3+])c1ccn(CC(=O)NC2CCCCC2)c1 ZINC000091816091 180262126 /nfs/dbraw/zinc/26/21/26/180262126.db2.gz DMRLIDNTVHEDTG-AWEZNQCLSA-N 1 0 263.385 2.347 10 0 CEAERO CCCCNC(=O)Cn1ccc([C@H](CC)[NH2+]C)c1 ZINC000091816734 180263030 /nfs/dbraw/zinc/26/30/30/180263030.db2.gz DIEJRECEHISGCR-ZDUSSCGKSA-N 1 0 251.374 2.075 10 0 CEAERO CCC[NH2+][C@H](CC)c1ccn(CC(=O)NCCCOC)c1 ZINC000091818088 180263203 /nfs/dbraw/zinc/26/32/03/180263203.db2.gz XACXBVXPYSEAPP-OAHLLOKOSA-N 1 0 295.427 2.092 10 0 CEAERO CC[NH2+][C@@H](CC)c1ccn(CC(=O)N[C@@H](C)CC)c1 ZINC000091817124 180263335 /nfs/dbraw/zinc/26/33/35/180263335.db2.gz WJNFITXGDHRGLR-JSGCOSHPSA-N 1 0 265.401 2.463 10 0 CEAERO CCC[C@H]([NH2+]CC)c1ccn(CCC(=O)NC)c1 ZINC000091822845 180263768 /nfs/dbraw/zinc/26/37/68/180263768.db2.gz WVRCPONKPNNGRG-ZDUSSCGKSA-N 1 0 251.374 2.075 10 0 CEAERO CC(C)[C@@H]([NH3+])c1ccn(Cc2ncnn2C(C)C)c1 ZINC000091826281 180264461 /nfs/dbraw/zinc/26/44/61/180264461.db2.gz AZDBQLHYOHHKAN-CQSZACIVSA-N 1 0 261.373 2.365 10 0 CEAERO CC(C)NC(=O)CCn1ccc([C@@H]([NH3+])C(C)C)c1 ZINC000091825514 180264714 /nfs/dbraw/zinc/26/47/14/180264714.db2.gz DDWQMJSIORQXMS-AWEZNQCLSA-N 1 0 251.374 2.059 10 0 CEAERO Cn1c(Cl)cnc1Cn1ccc([C@@H]([NH3+])C2CC2)c1 ZINC000091835183 180266932 /nfs/dbraw/zinc/26/69/32/180266932.db2.gz ULVQPEPMIILUQO-ZDUSSCGKSA-N 1 0 264.760 2.333 10 0 CEAERO CC[C@@H]1CC[C@](C[NH3+])(C2(O)CCC3(CC2)OCCO3)C1 ZINC000091924480 180287653 /nfs/dbraw/zinc/28/76/53/180287653.db2.gz XISKBUKVBGOENT-KGLIPLIRSA-N 1 0 283.412 2.190 10 0 CEAERO CCN(C(=O)N1CCCC1)[C@@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000091963111 180293215 /nfs/dbraw/zinc/29/32/15/180293215.db2.gz LWHVHJSUAOGYTJ-HIFRSBDPSA-N 1 0 267.417 2.432 10 0 CEAERO CC[NH2+]C1CCC(N(C)C(=O)N(CC)CC)CC1 ZINC000091961176 180293331 /nfs/dbraw/zinc/29/33/31/180293331.db2.gz ZBUVTDWMCXDFJN-UHFFFAOYSA-N 1 0 255.406 2.301 10 0 CEAERO O[C@H](C[NH2+]C[C@H]1Cc2ccccc21)COCc1ccco1 ZINC000090992455 539792210 /nfs/dbraw/zinc/79/22/10/539792210.db2.gz DZDRWCFMOKLEQP-HUUCEWRRSA-N 1 0 287.359 2.087 10 0 CEAERO C[NH2+]C1CCC(NC(=O)CSc2ccccc2)CC1 ZINC000091871629 180277893 /nfs/dbraw/zinc/27/78/93/180277893.db2.gz XRXYYTHXDHIMFB-UHFFFAOYSA-N 1 0 278.421 2.426 10 0 CEAERO Cc1cnc(N)nc1N[C@@H](CC[NH+](C)C)c1ccccc1 ZINC000091876895 180278675 /nfs/dbraw/zinc/27/86/75/180278675.db2.gz HSHXNRDSAYHVKY-AWEZNQCLSA-N 1 0 285.395 2.472 10 0 CEAERO C[C@@](O)(c1ccccc1)[C@]1(C[NH3+])COc2ccccc2C1 ZINC000091905428 180283932 /nfs/dbraw/zinc/28/39/32/180283932.db2.gz HOGLBPMBCAUERF-QZTJIDSGSA-N 1 0 283.371 2.474 10 0 CEAERO CC[C@@](C)(C[NH3+])[C@@H](O)c1cc(OC)ccc1OC ZINC000091908841 180284556 /nfs/dbraw/zinc/28/45/56/180284556.db2.gz AENOJZPBFIPARJ-KBPBESRZSA-N 1 0 253.342 2.112 10 0 CEAERO [NH3+]C[C@@]1([C@H](O)c2ccc(Cl)c(Cl)c2)CCOC1 ZINC000091909708 180284758 /nfs/dbraw/zinc/28/47/58/180284758.db2.gz OTKACEQAJOHBFA-NEPJUHHUSA-N 1 0 276.163 2.392 10 0 CEAERO [NH3+]C[C@@]1([C@@H](O)c2ccccc2)CCOc2ccccc21 ZINC000091909501 180284821 /nfs/dbraw/zinc/28/48/21/180284821.db2.gz YKQHROXCSMTMCY-IRXDYDNUSA-N 1 0 269.344 2.399 10 0 CEAERO COc1ccc2cc([C@H](O)[C@@]3(C[NH3+])CCOC3)ccc2c1 ZINC000091911751 180285284 /nfs/dbraw/zinc/28/52/84/180285284.db2.gz HAHGRXDNRRNILK-DLBZAZTESA-N 1 0 287.359 2.247 10 0 CEAERO [NH3+]C[C@]1([C@H](O)c2ccc(F)cc2)COc2ccccc2C1 ZINC000091910395 180285407 /nfs/dbraw/zinc/28/54/07/180285407.db2.gz PEYPYUQPBQISSQ-SJORKVTESA-N 1 0 287.334 2.439 10 0 CEAERO CC(C)(C)C[C@H](O)[C@@]1(C[NH3+])CCOc2ccccc21 ZINC000091918052 180285909 /nfs/dbraw/zinc/28/59/09/180285909.db2.gz QPSPMNWUASSURC-GOEBONIOSA-N 1 0 263.381 2.463 10 0 CEAERO CC[C@](C)(C[NH3+])[C@@](C)(O)Cc1ccc(OC)c(OC)c1 ZINC000091919800 180286570 /nfs/dbraw/zinc/28/65/70/180286570.db2.gz DSZVVMIFMTXEFM-CVEARBPZSA-N 1 0 281.396 2.372 10 0 CEAERO NC(=[NH2+])Cc1ccc(NC(=O)N2CCCCC2)cc1 ZINC000091969849 180295219 /nfs/dbraw/zinc/29/52/19/180295219.db2.gz UWIKVFFFAGBUOR-UHFFFAOYSA-N 1 0 260.341 2.183 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@H]1CNC(=O)N1CCCCCC1 ZINC000091971969 180295600 /nfs/dbraw/zinc/29/56/00/180295600.db2.gz RHRBKSFXYZNLLG-KGLIPLIRSA-N 1 0 267.417 2.337 10 0 CEAERO O=C(Nc1cnn(C2CC[NH2+]CC2)c1)N1CCCCCC1 ZINC000091971673 180295731 /nfs/dbraw/zinc/29/57/31/180295731.db2.gz GQIZIDULEWBEHY-UHFFFAOYSA-N 1 0 291.399 2.216 10 0 CEAERO CCN(C(=O)N1CCC(C)CC1)C1(C[NH3+])CCCC1 ZINC000091972912 180296067 /nfs/dbraw/zinc/29/60/67/180296067.db2.gz SBEGNZTUORMQBT-UHFFFAOYSA-N 1 0 267.417 2.432 10 0 CEAERO C[C@H]1CCCN(C(=O)N2CCCC[C@@H]2CC[NH3+])C1 ZINC000091991212 180299879 /nfs/dbraw/zinc/29/98/79/180299879.db2.gz ZFVNCJYJAFDZDG-QWHCGFSZSA-N 1 0 253.390 2.042 10 0 CEAERO CC1CCN(C(=O)N[C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000091991054 180299989 /nfs/dbraw/zinc/29/99/89/180299989.db2.gz NEORGOQYNKVTNY-CHWSQXEVSA-N 1 0 253.390 2.088 10 0 CEAERO CC1CCN(C(=O)NC2(C(N)=[NH2+])CCC(C)CC2)CC1 ZINC000091993352 180300421 /nfs/dbraw/zinc/30/04/21/180300421.db2.gz XRKWPZGKALCFQJ-UHFFFAOYSA-N 1 0 280.416 2.313 10 0 CEAERO CCC[C@@H](C)NC(=O)COc1ccc(C)nc1C[NH2+]CC ZINC000091994947 180301220 /nfs/dbraw/zinc/30/12/20/180301220.db2.gz RAVRMDISRGRSLL-GFCCVEGCSA-N 1 0 293.411 2.183 10 0 CEAERO CC[NH2+]Cc1nc(C)ccc1OCc1cc(C)on1 ZINC000091994732 180301263 /nfs/dbraw/zinc/30/12/63/180301263.db2.gz NONDTUISQXHZAL-UHFFFAOYSA-N 1 0 261.325 2.375 10 0 CEAERO C[NH2+]Cc1nc(C)ccc1O[C@@H]1CCC[C@@H](OC)C1 ZINC000091994353 180301283 /nfs/dbraw/zinc/30/12/83/180301283.db2.gz RSJUEKHUHGDOPJ-CHWSQXEVSA-N 1 0 264.369 2.446 10 0 CEAERO C[NH2+]Cc1nc(C)ccc1OC[C@H]1CCCCO1 ZINC000091994185 180301290 /nfs/dbraw/zinc/30/12/90/180301290.db2.gz RWEYXAJDRHRVKX-GFCCVEGCSA-N 1 0 250.342 2.057 10 0 CEAERO Cc1ccc(OCC(=O)OC(C)C)c(C[NH2+]C(C)C)n1 ZINC000091995606 180301899 /nfs/dbraw/zinc/30/18/99/180301899.db2.gz ONJZTMFBSMLCFU-UHFFFAOYSA-N 1 0 280.368 2.218 10 0 CEAERO COC(=O)[C@@H](C)Oc1ccc(C)nc1C[NH2+]C(C)(C)C ZINC000091996242 180302321 /nfs/dbraw/zinc/30/23/21/180302321.db2.gz BVLQQRKBGJKEKD-LLVKDONJSA-N 1 0 280.368 2.218 10 0 CEAERO CCOCCOc1ccc(C)nc1C[C@@H]([NH3+])CC ZINC000092000386 180303473 /nfs/dbraw/zinc/30/34/73/180303473.db2.gz JVNOVANIOXXTQB-LBPRGKRZSA-N 1 0 252.358 2.085 10 0 CEAERO Cc1ccc(OCc2ccncc2)c(C[C@@H](C)[NH3+])n1 ZINC000092000260 180303544 /nfs/dbraw/zinc/30/35/44/180303544.db2.gz XCLJQVNWJUHMSR-LLVKDONJSA-N 1 0 257.337 2.254 10 0 CEAERO COCC[NH2+]C[C@H]1CCCCN1C/C(Cl)=C/Cl ZINC000092026214 180308698 /nfs/dbraw/zinc/30/86/98/180308698.db2.gz XRNZXSHTYYBWHE-NXIHDVOMSA-N 1 0 281.227 2.396 10 0 CEAERO Cc1cc(C)c(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)cc1C[NH3+] ZINC000092113388 180327469 /nfs/dbraw/zinc/32/74/69/180327469.db2.gz NUWZGSJAGZCOCH-BETUJISGSA-N 1 0 296.436 2.039 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)Nc1cccc2c(O)cccc12 ZINC000092133619 180330893 /nfs/dbraw/zinc/33/08/93/180330893.db2.gz IJXKHUXNJWXECU-JTQLQIEISA-N 1 0 258.321 2.339 10 0 CEAERO c1ccc(OCC[N@@H+]2CCCN(c3cccnn3)CC2)cc1 ZINC000105798222 186072086 /nfs/dbraw/zinc/07/20/86/186072086.db2.gz KZHJPQRKJCNSNS-UHFFFAOYSA-N 1 0 298.390 2.068 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000092133767 180331705 /nfs/dbraw/zinc/33/17/05/180331705.db2.gz GTEMRDRWMXSWHQ-LBPRGKRZSA-N 1 0 261.369 2.081 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1 ZINC000092136275 180333288 /nfs/dbraw/zinc/33/32/88/180333288.db2.gz SSEBPJGPKKXORR-NSHDSACASA-N 1 0 291.395 2.465 10 0 CEAERO CCC[NH2+][C@H](Cc1ncnn1CCC)C(C)(C)OC ZINC000092140482 180333870 /nfs/dbraw/zinc/33/38/70/180333870.db2.gz ZMQLUFOQYKKTDX-GFCCVEGCSA-N 1 0 268.405 2.024 10 0 CEAERO CCCn1c2ccc(C[NH3+])cc2nc1CC[C@@H](C)O ZINC000092150869 180335001 /nfs/dbraw/zinc/33/50/01/180335001.db2.gz NPPHFADZTIAJKG-LLVKDONJSA-N 1 0 261.369 2.218 10 0 CEAERO COc1ccc(OC)c([C@H](C[NH3+])N2C[C@H](C)[C@@H](C)C2)c1 ZINC000092082630 180319501 /nfs/dbraw/zinc/31/95/01/180319501.db2.gz IMGAPXATNOTWMZ-HUBLWGQQSA-N 1 0 278.396 2.291 10 0 CEAERO COc1cc(N)ccc1NC(=O)CC[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000092080743 180319591 /nfs/dbraw/zinc/31/95/91/180319591.db2.gz JIHSRRRFBUONDC-VXGBXAGGSA-N 1 0 291.395 2.194 10 0 CEAERO CCN(Cc1ccccc1C)C(=O)[C@@H]1C=C[C@H]([NH3+])C1 ZINC000092202081 180342847 /nfs/dbraw/zinc/34/28/47/180342847.db2.gz JGBQPTJAEKBGEY-HIFRSBDPSA-N 1 0 258.365 2.247 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000092201794 180342874 /nfs/dbraw/zinc/34/28/74/180342874.db2.gz HAGLICGKRMVHBE-JGVFFNPUSA-N 1 0 254.692 2.321 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)Nc2ccccc2N2CCCC2)C1 ZINC000092202718 180343463 /nfs/dbraw/zinc/34/34/63/180343463.db2.gz KPBQJVFASQVHDT-OLZOCXBDSA-N 1 0 271.364 2.129 10 0 CEAERO CN(C(=O)[C@@H]1C=C[C@@H]([NH3+])C1)[C@@H]1CCCc2ccccc21 ZINC000092204499 180343666 /nfs/dbraw/zinc/34/36/66/180343666.db2.gz VKZKNSUNNCCFNJ-IIAWOOMASA-N 1 0 270.376 2.426 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)N2CC=C(c3ccccc3)CC2)C1 ZINC000092204770 180343697 /nfs/dbraw/zinc/34/36/97/180343697.db2.gz ABXCQYMRODYAHH-HZPDHXFCSA-N 1 0 268.360 2.206 10 0 CEAERO COc1ccc([C@@H]2CCCN2C(=O)[C@H]2C=C[C@@H]([NH3+])C2)cc1 ZINC000092204465 180343746 /nfs/dbraw/zinc/34/37/46/180343746.db2.gz MZJHBDDRSJWKTH-LZWOXQAQSA-N 1 0 286.375 2.262 10 0 CEAERO Cc1ccc(C)c([C@H](C)NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)c1 ZINC000092203824 180343842 /nfs/dbraw/zinc/34/38/42/180343842.db2.gz ZPBSKCQIXWJGND-BFHYXJOUSA-N 1 0 258.365 2.384 10 0 CEAERO CC(C)N(Cc1cccs1)C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092206902 180344128 /nfs/dbraw/zinc/34/41/28/180344128.db2.gz SLZLFJKUFVZNSN-VXGBXAGGSA-N 1 0 264.394 2.389 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)NCc2cccc3ccccc32)C1 ZINC000092207297 180344196 /nfs/dbraw/zinc/34/41/96/180344196.db2.gz RPTGSRINVGIPNA-ZFWWWQNUSA-N 1 0 266.344 2.359 10 0 CEAERO CC(C)(C)c1csc(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)n1 ZINC000092206940 180344271 /nfs/dbraw/zinc/34/42/71/180344271.db2.gz UNJOVWWUFUUKHB-BDAKNGLRSA-N 1 0 265.382 2.283 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)N(Cc2ccsc2)C2CC2)C1 ZINC000092206237 180344350 /nfs/dbraw/zinc/34/43/50/180344350.db2.gz VGURZIMLIOZCKP-NEPJUHHUSA-N 1 0 262.378 2.143 10 0 CEAERO CC1CCC(CCNC(=O)[C@H]2C=C[C@H]([NH3+])C2)CC1 ZINC000092207851 180344676 /nfs/dbraw/zinc/34/46/76/180344676.db2.gz LGGJNTWDQRQNGC-HOAMVYINSA-N 1 0 250.386 2.222 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)Nc2ccc(Br)c(F)c2)C1 ZINC000092208359 180344923 /nfs/dbraw/zinc/34/49/23/180344923.db2.gz UGDSSCNPJXVYHN-SFYZADRCSA-N 1 0 299.143 2.430 10 0 CEAERO Cc1cccc(Cl)c1NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092208660 180344929 /nfs/dbraw/zinc/34/49/29/180344929.db2.gz BJMQMLBHLKYFRR-NXEZZACHSA-N 1 0 250.729 2.490 10 0 CEAERO CSc1ccccc1C(=O)N[C@@H]1CCC[C@@H]1[NH3+] ZINC000092231994 180348384 /nfs/dbraw/zinc/34/83/84/180348384.db2.gz FHYOFZKZALDWJW-WDEREUQCSA-N 1 0 250.367 2.018 10 0 CEAERO c1ccc2c(c1)C[C@H](C[NH2+][C@@H]1CN3CCC1CC3)S2 ZINC000092242330 180351487 /nfs/dbraw/zinc/35/14/87/180351487.db2.gz DRIHMTMYXYWVAZ-HUUCEWRRSA-N 1 0 274.433 2.387 10 0 CEAERO [NH3+]C[C@H](CCSc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000092270405 180355524 /nfs/dbraw/zinc/35/55/24/180355524.db2.gz GJXPCDNXYQEKJE-STQMWFEESA-N 1 0 299.461 2.178 10 0 CEAERO C[C@@H]([NH2+]C[C@H]1CSc2ccccc21)c1nncn1C ZINC000092275377 180356694 /nfs/dbraw/zinc/35/66/94/180356694.db2.gz SFVCGDGSYPTHFP-MNOVXSKESA-N 1 0 274.393 2.355 10 0 CEAERO c1ccc2c(c1)OC[C@H]2C[NH2+]CCc1ccncc1 ZINC000092299720 180358651 /nfs/dbraw/zinc/35/86/51/180358651.db2.gz QAAKMNHSCRYFRB-CQSZACIVSA-N 1 0 254.333 2.390 10 0 CEAERO OC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1COc2ccccc21 ZINC000092300933 180358710 /nfs/dbraw/zinc/35/87/10/180358710.db2.gz CUKNTZPMRJRVGL-CVEARBPZSA-N 1 0 283.371 2.356 10 0 CEAERO Cc1nccc(C[NH2+]C[C@@H]2COc3ccccc32)n1 ZINC000092299834 180358964 /nfs/dbraw/zinc/35/89/64/180358964.db2.gz WMOUFEJDLWMYBH-GFCCVEGCSA-N 1 0 255.321 2.051 10 0 CEAERO Fc1cccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1F ZINC000105883740 186082656 /nfs/dbraw/zinc/08/26/56/186082656.db2.gz OHJSIRAQSJVXHV-LBPRGKRZSA-N 1 0 292.333 2.469 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](c2nc(Cc3ccccc3F)no2)C1 ZINC000092181568 180338980 /nfs/dbraw/zinc/33/89/80/180338980.db2.gz OPXXGSFXNDMLGG-MNOVXSKESA-N 1 0 259.284 2.170 10 0 CEAERO Cc1cnn([C@H]2CCC[N@@H+](Cc3c(C)nn(C)c3C)C2)c1 ZINC000105901786 186088334 /nfs/dbraw/zinc/08/83/34/186088334.db2.gz QYVRGRSUSIFMFL-HNNXBMFYSA-N 1 0 287.411 2.379 10 0 CEAERO CCCc1nc(CN2CC[N@H+](CCOC)[C@H](C)C2)cs1 ZINC000105913613 186089261 /nfs/dbraw/zinc/08/92/61/186089261.db2.gz WELGKXHAPNXYDY-CYBMUJFWSA-N 1 0 297.468 2.248 10 0 CEAERO CCC[NH2+]CCCc1c(C)nn(-c2ncccn2)c1C ZINC000092321518 180362159 /nfs/dbraw/zinc/36/21/59/180362159.db2.gz STVATGWEWWHPFN-UHFFFAOYSA-N 1 0 273.384 2.211 10 0 CEAERO Cc1nn(-c2cc(C)ccn2)c(C)c1C[C@H](C)C[NH3+] ZINC000092322722 180362542 /nfs/dbraw/zinc/36/25/42/180362542.db2.gz BHMVAGXKIIRTAW-NSHDSACASA-N 1 0 258.369 2.330 10 0 CEAERO CCC1(C(=O)N[C@@H](C)c2c(C)noc2C)CC[NH2+]CC1 ZINC000092329844 180363648 /nfs/dbraw/zinc/36/36/48/180363648.db2.gz FPAWQZFKBXUPGG-JTQLQIEISA-N 1 0 279.384 2.248 10 0 CEAERO CC(C)(C)[NH2+]CC(=O)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000106110224 186102534 /nfs/dbraw/zinc/10/25/34/186102534.db2.gz PXFCYNWJCYINQR-QWHCGFSZSA-N 1 0 252.402 2.413 10 0 CEAERO CC[C@H]1CN(Cc2cccc(F)c2F)CC[N@@H+]1C[C@@H](C)O ZINC000106103338 186102724 /nfs/dbraw/zinc/10/27/24/186102724.db2.gz GAZXBZXGWWLCNK-OCCSQVGLSA-N 1 0 298.377 2.242 10 0 CEAERO CCC[NH2+][C@@H]1CCCN([C@H](C)c2c(C)noc2C)C1=O ZINC000092342007 180365589 /nfs/dbraw/zinc/36/55/89/180365589.db2.gz JMMXBQKQIVMLCD-DGCLKSJQSA-N 1 0 279.384 2.343 10 0 CEAERO Cc1noc(C)c1[C@@H](C)N1CC[NH2+]C[C@@H]1C(C)C ZINC000092342386 180365595 /nfs/dbraw/zinc/36/55/95/180365595.db2.gz WWAWFJQYADQEHW-DGCLKSJQSA-N 1 0 251.374 2.282 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C)CN1[C@@H](C)c1c(C)noc1C ZINC000092342428 180366000 /nfs/dbraw/zinc/36/60/00/180366000.db2.gz MFWLFPLTWQRSQP-SUZMYJTESA-N 1 0 251.374 2.425 10 0 CEAERO c1ccc2c(CN3CC[NH2+]C[C@H]3C3CC3)ccnc2c1 ZINC000092365614 180369161 /nfs/dbraw/zinc/36/91/61/180369161.db2.gz DSRQPSSMRXRVIZ-KRWDZBQOSA-N 1 0 267.376 2.419 10 0 CEAERO CCCNc1cccc(C[N@@H+]2CC[C@H](COC)C2)n1 ZINC000092371114 180370450 /nfs/dbraw/zinc/37/04/50/180370450.db2.gz YRCZXCDZBPTWTE-ZDUSSCGKSA-N 1 0 263.385 2.372 10 0 CEAERO CCc1ccc([C@H](C)[NH2+]C[C@H]2CN(C)CCO2)cc1 ZINC000106388070 186112970 /nfs/dbraw/zinc/11/29/70/186112970.db2.gz BIZJMJQBNUGBDX-BBRMVZONSA-N 1 0 262.397 2.230 10 0 CEAERO CCc1nc(-c2cccc(C)n2)nc(CC)c1CC[NH3+] ZINC000092308304 180361194 /nfs/dbraw/zinc/36/11/94/180361194.db2.gz IVZAAUHJGKYXCN-UHFFFAOYSA-N 1 0 270.380 2.473 10 0 CEAERO COc1ccc2c(c1)[C@H](O)[C@@H]([N@@H+]1CCOCC1(C)C)CC2 ZINC000092387882 180374525 /nfs/dbraw/zinc/37/45/25/180374525.db2.gz DIBROQCOSQOKIB-HOTGVXAUSA-N 1 0 291.391 2.154 10 0 CEAERO COCCS[C@@H]1CCc2ccc(OC)cc2[C@@H]1[NH3+] ZINC000092389352 180375196 /nfs/dbraw/zinc/37/51/96/180375196.db2.gz ROOLMVGARLVAFT-KGLIPLIRSA-N 1 0 267.394 2.389 10 0 CEAERO Cc1cn2c(C[NH2+][C@@H](CO)C(C)C)c(C)nc2s1 ZINC000092393211 180376238 /nfs/dbraw/zinc/37/62/38/180376238.db2.gz VMJZVJJGNWAWHF-NSHDSACASA-N 1 0 267.398 2.119 10 0 CEAERO CN(Cc1cccnc1)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106901195 186148943 /nfs/dbraw/zinc/14/89/43/186148943.db2.gz BKVMSVSGUFQAAM-KRWDZBQOSA-N 1 0 297.402 2.213 10 0 CEAERO Cc1nccc(CNC2=[NH+][C@@H](C(C)C)CS2)n1 ZINC000092402514 180378243 /nfs/dbraw/zinc/37/82/43/180378243.db2.gz ANVLWMOFOBRJMP-LLVKDONJSA-N 1 0 250.371 2.002 10 0 CEAERO C[C@@H]1CCCN(Cc2cc(Cl)ccn2)[C@@H]1C[NH3+] ZINC000092417261 180380784 /nfs/dbraw/zinc/38/07/84/180380784.db2.gz SZFVXGCGPJSNEB-ZWNOBZJWSA-N 1 0 253.777 2.294 10 0 CEAERO COc1ccccc1CN(C)Cc1cc(N)cc[nH+]1 ZINC000092418574 180380815 /nfs/dbraw/zinc/38/08/15/180380815.db2.gz NPSAFDGNLZYVEI-UHFFFAOYSA-N 1 0 257.337 2.304 10 0 CEAERO CCNc1cc[nH+]c(CSCCC(=O)OC)c1 ZINC000092420901 180382381 /nfs/dbraw/zinc/38/23/81/180382381.db2.gz AOEDXCYJEVORQD-UHFFFAOYSA-N 1 0 254.355 2.310 10 0 CEAERO COc1ccccc1COC1CC[NH+](CC(C)(C)O)CC1 ZINC000092422306 180383396 /nfs/dbraw/zinc/38/33/96/180383396.db2.gz FLXYTXPNFICTOP-UHFFFAOYSA-N 1 0 293.407 2.447 10 0 CEAERO Cc1[nH+]c(-c2cc(Cl)c3c(c2)OCCO3)c(N)n1C ZINC000106830909 186138235 /nfs/dbraw/zinc/13/82/35/186138235.db2.gz WJSFNHLNCXKDBL-UHFFFAOYSA-N 1 0 279.727 2.402 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@@H](n1cc(C)cn1)CC2 ZINC000092386108 180373653 /nfs/dbraw/zinc/37/36/53/180373653.db2.gz PSHXFHYYYSUBAG-GJZGRUSLSA-N 1 0 257.337 2.387 10 0 CEAERO CC[NH2+][C@@H]1c2cc(OC)ccc2CC[C@@H]1OCCOC ZINC000092386358 180374024 /nfs/dbraw/zinc/37/40/24/180374024.db2.gz KRIPJHZQNUWLAB-JKSUJKDBSA-N 1 0 279.380 2.324 10 0 CEAERO C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](C)Cn1ccnc1 ZINC000130498175 365962206 /nfs/dbraw/zinc/96/22/06/365962206.db2.gz CKZGSJLSPDOCLG-CHWSQXEVSA-N 1 0 259.353 2.198 10 0 CEAERO C[N@H+](C[C@H]1CCCOC1)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000107065150 186158711 /nfs/dbraw/zinc/15/87/11/186158711.db2.gz ZOHPYEPSMFMLCT-WQVCFCJDSA-N 1 0 261.365 2.003 10 0 CEAERO CCOc1cc2c(cc1CN1CC[NH2+][C@@H](C)C1)O[C@@H](C)C2 ZINC000092454708 180388913 /nfs/dbraw/zinc/38/89/13/180388913.db2.gz WGNCPBKGNTXXQO-STQMWFEESA-N 1 0 290.407 2.202 10 0 CEAERO C[NH2+][C@@H]1C(=O)Nc2cc(Sc3cc(C)nn3C)ccc21 ZINC000107167729 186160857 /nfs/dbraw/zinc/16/08/57/186160857.db2.gz NSNUFKPITVWVLA-ZDUSSCGKSA-N 1 0 288.376 2.092 10 0 CEAERO CC[C@@H]([NH2+][C@@H]1CC(=O)N(C(C)C)C1=O)C1CCCCC1 ZINC000107290488 186166408 /nfs/dbraw/zinc/16/64/08/186166408.db2.gz BRVAODHKQDGTCK-ZIAGYGMSSA-N 1 0 280.412 2.471 10 0 CEAERO Cc1ccnc2c1nc(N)n2[C@@H](C)C[NH+]1CCCCC1 ZINC000092550532 180404461 /nfs/dbraw/zinc/40/44/61/180404461.db2.gz SFJIMTTXGPHNKV-LBPRGKRZSA-N 1 0 273.384 2.369 10 0 CEAERO COc1ccccc1-c1cn2c(n1)[C@@H](C)C[C@@H]([NH3+])C2 ZINC000107827755 186194508 /nfs/dbraw/zinc/19/45/08/186194508.db2.gz YNDDSXBFTFDTIQ-WDEREUQCSA-N 1 0 257.337 2.393 10 0 CEAERO CC1CCC(N(C)C(=O)C[N@H+]2[C@@H]3CC[C@H]2CC(O)C3)CC1 ZINC000107925150 186198227 /nfs/dbraw/zinc/19/82/27/186198227.db2.gz JJHZZTXLLFTVGH-OZEOOWDWSA-N 1 0 294.439 2.011 10 0 CEAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1ccc2[nH]ccc2c1 ZINC000107594853 186180445 /nfs/dbraw/zinc/18/04/45/186180445.db2.gz PUERBOAVAMHPOJ-LBPRGKRZSA-N 1 0 271.364 2.192 10 0 CEAERO C[NH+](C)CCCCn1c2ccncc2[nH]c1=S ZINC000092514540 180399464 /nfs/dbraw/zinc/39/94/64/180399464.db2.gz SDFGBDQRHVOEJH-UHFFFAOYSA-N 1 0 250.371 2.436 10 0 CEAERO C[NH+](C)CCCNC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109151218 186244142 /nfs/dbraw/zinc/24/41/42/186244142.db2.gz VDAAOFNEXWGZMG-VXGBXAGGSA-N 1 0 282.334 2.136 10 0 CEAERO C[NH2+][C@H](C)Cc1nc(Cc2ccc(Cl)cc2)no1 ZINC000109494923 186256262 /nfs/dbraw/zinc/25/62/62/186256262.db2.gz JDLBOZXFEQPSEZ-SECBINFHSA-N 1 0 265.744 2.464 10 0 CEAERO C[NH2+]C1CCC(c2nc(-c3ccncc3)no2)CC1 ZINC000109498505 186256975 /nfs/dbraw/zinc/25/69/75/186256975.db2.gz ZTYBAVGZDPVDHW-UHFFFAOYSA-N 1 0 258.325 2.377 10 0 CEAERO CCC[NH2+][C@@H](COC)Cc1nc(-c2ccccc2)no1 ZINC000109499047 186257738 /nfs/dbraw/zinc/25/77/38/186257738.db2.gz SSQGOMWRDBSEOY-CYBMUJFWSA-N 1 0 275.352 2.294 10 0 CEAERO COC[C@H]([NH3+])Cc1nc(-c2ccc(F)c(Cl)c2)no1 ZINC000109513888 186258035 /nfs/dbraw/zinc/25/80/35/186258035.db2.gz NKZNTUUEZFMBPP-MRVPVSSYSA-N 1 0 285.706 2.045 10 0 CEAERO COC[C@@H]([NH3+])Cc1nc(-c2ccc(F)c(Cl)c2)no1 ZINC000109513890 186258143 /nfs/dbraw/zinc/25/81/43/186258143.db2.gz NKZNTUUEZFMBPP-QMMMGPOBSA-N 1 0 285.706 2.045 10 0 CEAERO C[NH2+][C@@H](Cc1nc(COc2ccccc2)no1)C(C)C ZINC000109509446 186258408 /nfs/dbraw/zinc/25/84/08/186258408.db2.gz NKPAXRXXQGCJLJ-ZDUSSCGKSA-N 1 0 275.352 2.435 10 0 CEAERO C[NH2+][C@H](Cc1nc(Cc2csc(C)n2)no1)C(C)C ZINC000109511527 186258438 /nfs/dbraw/zinc/25/84/38/186258438.db2.gz XQKVVDKRXXSWBU-LLVKDONJSA-N 1 0 280.397 2.212 10 0 CEAERO C[NH2+][C@H](C)[C@@H](C)c1nc(COc2ccccc2)no1 ZINC000109509501 186258468 /nfs/dbraw/zinc/25/84/68/186258468.db2.gz PTMTWMFEAIPSOW-GHMZBOCLSA-N 1 0 261.325 2.360 10 0 CEAERO C[NH2+][C@H]1CCCC[C@H]1c1nc(Cc2ccncc2)no1 ZINC000109509142 186258534 /nfs/dbraw/zinc/25/85/34/186258534.db2.gz LBFPYKBEFJXFHM-OLZOCXBDSA-N 1 0 272.352 2.301 10 0 CEAERO CCC[NH2+][C@H]1CCCC[C@H]1c1nc(CCOC)no1 ZINC000109517112 186258858 /nfs/dbraw/zinc/25/88/58/186258858.db2.gz PSHUXVOXDPFDER-NEPJUHHUSA-N 1 0 267.373 2.284 10 0 CEAERO CCCOCc1noc([C@@H]2CCCCC[C@@H]2[NH3+])n1 ZINC000109519631 186258987 /nfs/dbraw/zinc/25/89/87/186258987.db2.gz GOUHGCPNWWTIGG-MNOVXSKESA-N 1 0 253.346 2.371 10 0 CEAERO CCCOCc1noc([C@H]2CCC[C@H]2[NH2+]CC)n1 ZINC000109519712 186259275 /nfs/dbraw/zinc/25/92/75/186259275.db2.gz MUBCBAAFTCXCJN-WDEREUQCSA-N 1 0 253.346 2.242 10 0 CEAERO c1ccc(CCN2CC[C@@H]([NH2+][C@@H]3CCCOC3)C2)cc1 ZINC000109545967 186261555 /nfs/dbraw/zinc/26/15/55/186261555.db2.gz KNICGWURTWFITR-IAGOWNOFSA-N 1 0 274.408 2.072 10 0 CEAERO C[NH2+][C@@H]1C(=O)Nc2cc(-n3cnc4ccccc43)ccc21 ZINC000109572873 186264104 /nfs/dbraw/zinc/26/41/04/186264104.db2.gz NMMBCAPBKKFUDW-HNNXBMFYSA-N 1 0 278.315 2.238 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1C(=S)NCc1ccccc1 ZINC000109671218 186268417 /nfs/dbraw/zinc/26/84/17/186268417.db2.gz GSYRFVDPOFCPEF-CQSZACIVSA-N 1 0 277.437 2.087 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1C(=S)NCCc1ccccc1 ZINC000109670945 186268527 /nfs/dbraw/zinc/26/85/27/186268527.db2.gz AZWXQWQGVBBZPQ-OAHLLOKOSA-N 1 0 291.464 2.130 10 0 CEAERO C[NH+](C)C[C@@H]1CCCN1C(=S)NCc1ccc(F)cc1 ZINC000109671150 186268998 /nfs/dbraw/zinc/26/89/98/186268998.db2.gz CXQQPHLLWMUFRY-AWEZNQCLSA-N 1 0 295.427 2.226 10 0 CEAERO Cc1nnc(S[C@@H](CC[NH3+])c2ccccc2)n1C ZINC000109687120 186269325 /nfs/dbraw/zinc/26/93/25/186269325.db2.gz KYOMSLVFHOTNDX-LBPRGKRZSA-N 1 0 262.382 2.306 10 0 CEAERO CCCc1nc(CN2CC[NH2+]CC2)sc1CC ZINC000109432348 186252209 /nfs/dbraw/zinc/25/22/09/186252209.db2.gz JLZFHRXPLFPZSZ-UHFFFAOYSA-N 1 0 253.415 2.063 10 0 CEAERO Cc1cc(C)cc(CN2CC[NH+]([C@@H](C)C(N)=S)CC2)c1 ZINC000109468510 186253635 /nfs/dbraw/zinc/25/36/35/186253635.db2.gz ZXCWOTDFTOBRCO-AWEZNQCLSA-N 1 0 291.464 2.096 10 0 CEAERO CC[C@H](C(N)=S)[NH+]1CCN(CCC(C)(C)C)CC1 ZINC000109469264 186253958 /nfs/dbraw/zinc/25/39/58/186253958.db2.gz BVOCJSZCTYAWPF-GFCCVEGCSA-N 1 0 271.474 2.105 10 0 CEAERO CCC[C@@H](C[NH3+])N1CCN(c2nc3ccccc3o2)CC1 ZINC000109455582 186254396 /nfs/dbraw/zinc/25/43/96/186254396.db2.gz PJZWBYWCDPBRFF-ZDUSSCGKSA-N 1 0 288.395 2.077 10 0 CEAERO C[C@H](c1nc(-c2ccncc2)cs1)N1CC[NH2+]CC1 ZINC000109471994 186255188 /nfs/dbraw/zinc/25/51/88/186255188.db2.gz CNLQFXMSIDJPIL-LLVKDONJSA-N 1 0 274.393 2.171 10 0 CEAERO CC[C@@H](c1noc(-c2cc(C)oc2C)n1)N1CC[NH2+]CC1 ZINC000109474523 186255246 /nfs/dbraw/zinc/25/52/46/186255246.db2.gz HVFJWIZFDCTUMK-ZDUSSCGKSA-N 1 0 290.367 2.303 10 0 CEAERO Cc1cccc(-c2nc([C@@H](C)N3CC[NH2+]CC3)no2)c1C ZINC000109474040 186255287 /nfs/dbraw/zinc/25/52/87/186255287.db2.gz SMRBNBBZLGBIHV-CYBMUJFWSA-N 1 0 286.379 2.320 10 0 CEAERO CCC[NH2+]Cc1c(C)nn([C@H](C)C(=O)OCC)c1C ZINC000110118790 186286475 /nfs/dbraw/zinc/28/64/75/186286475.db2.gz JQDPMJAYQSLXPL-GFCCVEGCSA-N 1 0 267.373 2.124 10 0 CEAERO CC[NH+](CC)[C@H]1CCN(c2nc(C)c(C=O)s2)C1 ZINC000110272209 186289475 /nfs/dbraw/zinc/28/94/75/186289475.db2.gz SZWWCQYSGICDRT-NSHDSACASA-N 1 0 267.398 2.185 10 0 CEAERO CC[NH2+][C@@H](CC)[C@@H](C)c1nc(C[C@@H]2CCCO2)no1 ZINC000110469587 186298345 /nfs/dbraw/zinc/29/83/45/186298345.db2.gz ATVIFTGHOCZTRL-WOPDTQHZSA-N 1 0 267.373 2.283 10 0 CEAERO CC[NH2+][C@H](Cc1nc(-c2cccc(C)n2)no1)C1CC1 ZINC000110482428 186299253 /nfs/dbraw/zinc/29/92/53/186299253.db2.gz MTQZVOCXRJAFER-CYBMUJFWSA-N 1 0 272.352 2.371 10 0 CEAERO c1ccc2c(c1)C[C@@H](c1nnc(CC[NH2+]C3CC3)o1)CO2 ZINC000110541244 186302735 /nfs/dbraw/zinc/30/27/35/186302735.db2.gz KPVDTKVGGWNLHM-GFCCVEGCSA-N 1 0 285.347 2.083 10 0 CEAERO C[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc(C[NH3+])cc1 ZINC000110611697 186305890 /nfs/dbraw/zinc/30/58/90/186305890.db2.gz DBFGMSHOPMOBLF-IUODEOHRSA-N 1 0 260.381 2.383 10 0 CEAERO COCCN(CC(C)C)C(=O)CC1CCC(C[NH3+])CC1 ZINC000110617710 186305906 /nfs/dbraw/zinc/30/59/06/186305906.db2.gz HFHXDQIVBAEYJZ-UHFFFAOYSA-N 1 0 284.444 2.273 10 0 CEAERO [NH3+]CC1CCC(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1 ZINC000110617753 186306008 /nfs/dbraw/zinc/30/60/08/186306008.db2.gz YMTGSUOGXMJEOH-QDIHITRGSA-N 1 0 294.439 2.312 10 0 CEAERO COc1cc(N[C@@H](C[NH+](C)C)C(C)C)c(N)cc1F ZINC000110626912 186306675 /nfs/dbraw/zinc/30/66/75/186306675.db2.gz GDTXIQWDSLVVFD-ZDUSSCGKSA-N 1 0 269.364 2.415 10 0 CEAERO CC(C)Oc1cc(N[C@@H]2CC[N@H+](C)C2)c(N)cc1F ZINC000110638935 186307309 /nfs/dbraw/zinc/30/73/09/186307309.db2.gz FEHAYKOBJOJCFK-SNVBAGLBSA-N 1 0 267.348 2.311 10 0 CEAERO COc1ccc(C)cc1C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000110646125 186309188 /nfs/dbraw/zinc/30/91/88/186309188.db2.gz MGAVMYCWIPUELC-LBPRGKRZSA-N 1 0 276.380 2.203 10 0 CEAERO C[NH2+]Cc1nc(CN2CCC[C@@H](C)CC2)cs1 ZINC000110812502 186326406 /nfs/dbraw/zinc/32/64/06/186326406.db2.gz NPYWQHBOZYNZKK-LLVKDONJSA-N 1 0 253.415 2.485 10 0 CEAERO C[C@@H]1CCC[N@H+](Cc2cccnc2C(N)=S)CC1 ZINC000110804550 186326691 /nfs/dbraw/zinc/32/66/91/186326691.db2.gz RJIPIOXJWZTRRZ-LLVKDONJSA-N 1 0 263.410 2.338 10 0 CEAERO C[C@@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)N1CCC[C@@H](C)CC1 ZINC000110818801 186327171 /nfs/dbraw/zinc/32/71/71/186327171.db2.gz CICPRGSJRKXQOE-YIYPIFLZSA-N 1 0 252.402 2.399 10 0 CEAERO CCCN[C@@](C)(CC[N@H+](C)CC1CCCC1)C(=O)OC ZINC000110841196 186328015 /nfs/dbraw/zinc/32/80/15/186328015.db2.gz SMHRZKXAMYWJFP-INIZCTEOSA-N 1 0 284.444 2.430 10 0 CEAERO C[N@@H+](CC(=O)Nc1ccc(F)c(N)c1)CC1CCCC1 ZINC000110832358 186328418 /nfs/dbraw/zinc/32/84/18/186328418.db2.gz KWARQBPQPJEPRB-UHFFFAOYSA-N 1 0 279.359 2.468 10 0 CEAERO Cc1nnc(N(C)[C@H]2CCC[NH2+]C2)c2ccccc12 ZINC000110932238 186333310 /nfs/dbraw/zinc/33/33/10/186333310.db2.gz QWMVJYPSZRXPKJ-LBPRGKRZSA-N 1 0 256.353 2.126 10 0 CEAERO CC(C)[C@H](CN(C)C)[NH2+]Cc1[nH]nnc1-c1ccccc1 ZINC000110925170 186333453 /nfs/dbraw/zinc/33/34/53/186333453.db2.gz JNQQDBRMEQBOLY-HNNXBMFYSA-N 1 0 287.411 2.148 10 0 CEAERO CN(C(=O)CCCc1cccs1)[C@H]1CCC[NH2+]C1 ZINC000110926891 186333734 /nfs/dbraw/zinc/33/37/34/186333734.db2.gz QPXXRLOYMZYCGO-LBPRGKRZSA-N 1 0 266.410 2.281 10 0 CEAERO CN(C(=O)c1ccc2ncccc2c1)[C@@H]1CCC[NH2+]C1 ZINC000110927426 186333819 /nfs/dbraw/zinc/33/38/19/186333819.db2.gz ZAEDGHHLILZQAP-CQSZACIVSA-N 1 0 269.348 2.059 10 0 CEAERO CN(Cc1ccccc1OC(F)F)[C@@H]1CCC[NH2+]C1 ZINC000110926280 186333946 /nfs/dbraw/zinc/33/39/46/186333946.db2.gz GBKVSCIXQTUMGE-GFCCVEGCSA-N 1 0 270.323 2.472 10 0 CEAERO Cc1cc(-c2nnc(CN(C)[C@H]3CCC[NH2+]C3)o2)c(C)o1 ZINC000110929422 186334022 /nfs/dbraw/zinc/33/40/22/186334022.db2.gz YFNSRHQAQAOFNX-LBPRGKRZSA-N 1 0 290.367 2.130 10 0 CEAERO CN(C(=O)CCc1c[nH]c2ccccc12)[C@H]1CCC[NH2+]C1 ZINC000110926913 186334037 /nfs/dbraw/zinc/33/40/37/186334037.db2.gz HXOJVLDXJYFKHG-AWEZNQCLSA-N 1 0 285.391 2.311 10 0 CEAERO CCN(C(=O)c1nccc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000110939513 186334574 /nfs/dbraw/zinc/33/45/74/186334574.db2.gz RYKCJTHJZBPUFS-AWEZNQCLSA-N 1 0 283.375 2.449 10 0 CEAERO CCN(Cc1ccc(OC)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000110942703 186334779 /nfs/dbraw/zinc/33/47/79/186334779.db2.gz MJKLKJINGNVEMR-CYBMUJFWSA-N 1 0 266.360 2.408 10 0 CEAERO CCCn1cccc1C(=O)N(CC)[C@@H]1CCC[NH2+]C1 ZINC000110940055 186334846 /nfs/dbraw/zinc/33/48/46/186334846.db2.gz OUZWXTDIJJBORX-CYBMUJFWSA-N 1 0 263.385 2.112 10 0 CEAERO CCN(Cc1ncc(C)c(OC)c1C)[C@@H]1CCC[NH2+]C1 ZINC000110942657 186334860 /nfs/dbraw/zinc/33/48/60/186334860.db2.gz NEJOSDPZSARARS-CQSZACIVSA-N 1 0 277.412 2.281 10 0 CEAERO CC[N@@H+]1CCN(Cc2ccc(Cl)cc2N)C[C@@H]1C ZINC000110702478 186314305 /nfs/dbraw/zinc/31/43/05/186314305.db2.gz CVQIWPRGNFXPCV-NSHDSACASA-N 1 0 267.804 2.448 10 0 CEAERO CC[C@H]1C[N@@H+]([C@@H](CC(N)=S)c2ccccc2)CCN1C ZINC000110719994 186316470 /nfs/dbraw/zinc/31/64/70/186316470.db2.gz UFFVTNJQYBSOEI-GJZGRUSLSA-N 1 0 291.464 2.430 10 0 CEAERO C[C@H]1CN(CCCC(=O)c2cccs2)CC[N@@H+]1C ZINC000110727308 186317625 /nfs/dbraw/zinc/31/76/25/186317625.db2.gz JZJHMUCFMYMLEX-LBPRGKRZSA-N 1 0 266.410 2.347 10 0 CEAERO CCc1ccc(C(=O)CN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000110729215 186317638 /nfs/dbraw/zinc/31/76/38/186317638.db2.gz ZDYVVBYUQVHZRY-UHFFFAOYSA-N 1 0 274.408 2.458 10 0 CEAERO CC[C@@H]1CN(CCC(=O)c2cccc(F)c2)CC[N@@H+]1C ZINC000110744028 186319045 /nfs/dbraw/zinc/31/90/45/186319045.db2.gz POWVZYYXULVPNR-OAHLLOKOSA-N 1 0 278.371 2.425 10 0 CEAERO CCOC(=O)c1cc(C)sc1NC(=O)C1CC[NH2+]CC1 ZINC000110777709 186324716 /nfs/dbraw/zinc/32/47/16/186324716.db2.gz OMGRUZKFYHBDEJ-UHFFFAOYSA-N 1 0 296.392 2.171 10 0 CEAERO CCCN(CC[NH+](C)C)c1ccc(N)c(OCC)c1 ZINC000111054926 186349324 /nfs/dbraw/zinc/34/93/24/186349324.db2.gz GOWCTDUFCPKCMT-UHFFFAOYSA-N 1 0 265.401 2.446 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1C(=O)c1c(N)cccc1Cl ZINC000111012668 186343012 /nfs/dbraw/zinc/34/30/12/186343012.db2.gz XJXIOLSTKASPGX-SNVBAGLBSA-N 1 0 281.787 2.088 10 0 CEAERO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2c(N)cccc2Cl)C1 ZINC000111011425 186343417 /nfs/dbraw/zinc/34/34/17/186343417.db2.gz YQLYYWHREUBALY-LLVKDONJSA-N 1 0 295.814 2.382 10 0 CEAERO CN(C[C@H]1CCCO1)[C@@H](C[NH3+])c1cccc(F)c1F ZINC000111039518 186346773 /nfs/dbraw/zinc/34/67/73/186346773.db2.gz LMJUGDPTOXLYPQ-MFKMUULPSA-N 1 0 270.323 2.075 10 0 CEAERO COC1CCN([C@@H](C[NH3+])c2cccc(F)c2F)CC1 ZINC000111039230 186347109 /nfs/dbraw/zinc/34/71/09/186347109.db2.gz VYYLDRGKKIXHQL-ZDUSSCGKSA-N 1 0 270.323 2.075 10 0 CEAERO Cc1cnccc1NC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000111043648 186347466 /nfs/dbraw/zinc/34/74/66/186347466.db2.gz OIPSACFWTBPDKI-OAHLLOKOSA-N 1 0 255.321 2.203 10 0 CEAERO C[C@H](c1ccccc1)[C@@H](CN)[N@H+](C)CC1CCOCC1 ZINC000111159889 186362198 /nfs/dbraw/zinc/36/21/98/186362198.db2.gz QEHYBDOWQHUADK-RHSMWYFYSA-N 1 0 276.424 2.476 10 0 CEAERO COc1ccccc1[C@@H]([C@H](C)[NH3+])N(C)CC1CCOCC1 ZINC000111155904 186362285 /nfs/dbraw/zinc/36/22/85/186362285.db2.gz FBWRVMXKDHVSDO-SUMWQHHRSA-N 1 0 292.423 2.442 10 0 CEAERO COc1ccc([C@H](N)[C@H](C)[N@H+](C)C[C@@H]2CCCOC2)cc1 ZINC000111160654 186362315 /nfs/dbraw/zinc/36/23/15/186362315.db2.gz CARVKMHNBURYJH-GRDNDAEWSA-N 1 0 292.423 2.442 10 0 CEAERO Cc1ccc([C@@H](CN)[N@H+](C)CC2CCOCC2)cc1F ZINC000111159765 186362319 /nfs/dbraw/zinc/36/23/19/186362319.db2.gz DYDSWSAHFXDFTI-MRXNPFEDSA-N 1 0 280.387 2.492 10 0 CEAERO Cc1cc(F)ccc1[C@H](CN)[N@H+](C)CC1CCOCC1 ZINC000111159566 186362576 /nfs/dbraw/zinc/36/25/76/186362576.db2.gz JTRAQTMVPRKEAJ-INIZCTEOSA-N 1 0 280.387 2.492 10 0 CEAERO CCCOCCOC[C@H]([NH3+])c1ccc(OC)c(OC)c1 ZINC000111107315 186352356 /nfs/dbraw/zinc/35/23/56/186352356.db2.gz IQXQTWUCTDLCAI-ZDUSSCGKSA-N 1 0 283.368 2.147 10 0 CEAERO CCCOCCOC[C@H]1CC[C@@H](C[NH2+]CC(C)C)O1 ZINC000111111343 186354175 /nfs/dbraw/zinc/35/41/75/186354175.db2.gz QNCDSMRAULMPNO-LSDHHAIUSA-N 1 0 273.417 2.223 10 0 CEAERO CCOCCN(CC)[C@@H](c1ccc(OC)cc1)[C@@H](C)[NH3+] ZINC000111116822 186355476 /nfs/dbraw/zinc/35/54/76/186355476.db2.gz XEEAXUPOXJJSQF-CZUORRHYSA-N 1 0 280.412 2.442 10 0 CEAERO CN(CC[NH+](C)C)c1ccc(N)cc1C(F)(F)F ZINC000111131816 186356016 /nfs/dbraw/zinc/35/60/16/186356016.db2.gz RBASLSOHSRXOBL-UHFFFAOYSA-N 1 0 261.291 2.285 10 0 CEAERO CN(CCC[NH+](C)C)c1ccc2scnc2c1N ZINC000111132346 186356049 /nfs/dbraw/zinc/35/60/49/186356049.db2.gz ALSNCOSYABLXPI-UHFFFAOYSA-N 1 0 264.398 2.266 10 0 CEAERO CN(CCC[NH+](C)C)Cc1ccc2c(c1)CCCN2 ZINC000111140581 186357041 /nfs/dbraw/zinc/35/70/41/186357041.db2.gz YZQKBOLBROXMAP-UHFFFAOYSA-N 1 0 261.413 2.428 10 0 CEAERO CCc1ccc(C(=O)[C@@H](C)N(C)CC[NH+](C)C)cc1 ZINC000111139674 186357406 /nfs/dbraw/zinc/35/74/06/186357406.db2.gz QFRLLKGZIMOBEZ-CYBMUJFWSA-N 1 0 262.397 2.314 10 0 CEAERO C[C@H](O)c1ccc(NC(=O)N(C)CCC[NH+](C)C)cc1 ZINC000111149579 186359211 /nfs/dbraw/zinc/35/92/11/186359211.db2.gz HSKFNOIMXBXOQW-LBPRGKRZSA-N 1 0 279.384 2.155 10 0 CEAERO O[C@@H](C[NH2+]CC1CCOCC1)c1c(F)cccc1F ZINC000111162628 186364266 /nfs/dbraw/zinc/36/42/66/186364266.db2.gz MGKLKPQGEPGDMC-ZDUSSCGKSA-N 1 0 271.307 2.014 10 0 CEAERO Cc1cc(C)c(C(N)=S)c(N(C)CC2CCOCC2)[nH+]1 ZINC000111178439 186364765 /nfs/dbraw/zinc/36/47/65/186364765.db2.gz VRJZUCCTVHQAPY-UHFFFAOYSA-N 1 0 293.436 2.195 10 0 CEAERO Nc1cncc(NC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000111177508 186365275 /nfs/dbraw/zinc/36/52/75/186365275.db2.gz MQYLOKWGPKDDBY-UHFFFAOYSA-N 1 0 283.379 2.135 10 0 CEAERO C[NH2+][C@H](Cc1ncc[nH]1)[C@@H]1CCOc2ccccc21 ZINC000111185548 186366281 /nfs/dbraw/zinc/36/62/81/186366281.db2.gz RNLPQYZALFNIJZ-DGCLKSJQSA-N 1 0 257.337 2.107 10 0 CEAERO [NH3+]Cc1ccc(NC(=O)[C@H]2CCOc3ccccc32)nc1 ZINC000111184231 186366591 /nfs/dbraw/zinc/36/65/91/186366591.db2.gz PJZYRPXLUYOMDQ-ZDUSSCGKSA-N 1 0 283.331 2.045 10 0 CEAERO c1cc(-c2nc(C[C@@H]3CCC[NH2+]C3)no2)cc2c1COC2 ZINC000111306903 186394679 /nfs/dbraw/zinc/39/46/79/186394679.db2.gz VBNFCOZAPDUBMB-NSHDSACASA-N 1 0 285.347 2.309 10 0 CEAERO C[NH2+][C@H](c1nc2c(s1)CCC2)[C@H]1CCCOC1 ZINC000111322191 186397235 /nfs/dbraw/zinc/39/72/35/186397235.db2.gz QQDFSGAMSFGOEU-CABZTGNLSA-N 1 0 252.383 2.319 10 0 CEAERO CC[NH2+]C[C@]1(CN(C)Cc2ccoc2C)CCCOC1 ZINC000111328352 186399512 /nfs/dbraw/zinc/39/95/12/186399512.db2.gz QZOOOPLDDLRKSQ-INIZCTEOSA-N 1 0 280.412 2.426 10 0 CEAERO C[NH2+]C[C@@]1(CN(C)Cc2ccc(F)cc2)CCCOC1 ZINC000111328765 186399520 /nfs/dbraw/zinc/39/95/20/186399520.db2.gz NZWPGDHISKGMRI-MRXNPFEDSA-N 1 0 280.387 2.274 10 0 CEAERO COCCC[N@H+](CCOC)Cc1c(N)cccc1Cl ZINC000111332213 186401574 /nfs/dbraw/zinc/40/15/74/186401574.db2.gz DEESINBJWVFLHN-UHFFFAOYSA-N 1 0 286.803 2.407 10 0 CEAERO O=C(OC1CCCC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111241160 186374498 /nfs/dbraw/zinc/37/44/98/186374498.db2.gz FJGUHHFQNSZOFG-JTQLQIEISA-N 1 0 251.248 2.014 10 0 CEAERO Cc1ccccc1[C@H](CN)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111239092 186375251 /nfs/dbraw/zinc/37/52/51/186375251.db2.gz XHMDYNZAYXLLEM-HOCLYGCPSA-N 1 0 262.397 2.353 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1c1nc(Cc2cccc(F)c2)no1 ZINC000111256479 186379175 /nfs/dbraw/zinc/37/91/75/186379175.db2.gz JWTDIVPMQKHUHR-SKDRFNHKSA-N 1 0 261.300 2.122 10 0 CEAERO Cc1ccc(Cc2noc([C@H]3C[NH2+]C[C@@H]3C)n2)cc1 ZINC000111256636 186379974 /nfs/dbraw/zinc/37/99/74/186379974.db2.gz SKYPPLYBCZSQJL-AAEUAGOBSA-N 1 0 257.337 2.292 10 0 CEAERO Cc1cc(NC(=O)[C@H]2C[NH2+]C[C@H]2C)c2ccccc2n1 ZINC000111262974 186380269 /nfs/dbraw/zinc/38/02/69/186380269.db2.gz VARSBYYXRSQVMN-MFKMUULPSA-N 1 0 269.348 2.337 10 0 CEAERO Cc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)c(Cl)c1 ZINC000111263785 186382011 /nfs/dbraw/zinc/38/20/11/186382011.db2.gz DSEACWHXBZQDCL-NXEZZACHSA-N 1 0 252.745 2.442 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)Cc1ccccc1Cl ZINC000111267946 186382751 /nfs/dbraw/zinc/38/27/51/186382751.db2.gz DSJQATNXJOOHAX-ZYHUDNBSSA-N 1 0 266.772 2.154 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)N1CC=C(c2ccccc2)CC1 ZINC000111268532 186383965 /nfs/dbraw/zinc/38/39/65/186383965.db2.gz OOUHRKTZOYCOBV-BBRMVZONSA-N 1 0 270.376 2.158 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)C1C2CC3CC(C2)CC1C3 ZINC000111268863 186384555 /nfs/dbraw/zinc/38/45/55/186384555.db2.gz IIFAZPFSVZWKQT-YINFPWJTSA-N 1 0 276.424 2.125 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC(c2ccccc2)CC1 ZINC000111268513 186384584 /nfs/dbraw/zinc/38/45/84/186384584.db2.gz BOOBVEPYQRJKSV-BBRMVZONSA-N 1 0 272.392 2.248 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CCC[C@@H]1C1CCCC1 ZINC000111272112 186384976 /nfs/dbraw/zinc/38/49/76/186384976.db2.gz BUQIVEAVCKVLCJ-KWCYVHTRSA-N 1 0 250.386 2.023 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)NCc1ccccc1C(F)(F)F ZINC000111272584 186385917 /nfs/dbraw/zinc/38/59/17/186385917.db2.gz NMQAFAMCBAFJPY-KOLCDFICSA-N 1 0 286.297 2.177 10 0 CEAERO CCC[NH2+][C@H](COC)Cc1nc([C@H](C)CC)no1 ZINC000111275533 186386772 /nfs/dbraw/zinc/38/67/72/186386772.db2.gz FVHFFLZJDGKGRG-MNOVXSKESA-N 1 0 255.362 2.140 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)c2ccc(C[NH3+])cn2)cc1 ZINC000111281875 186387868 /nfs/dbraw/zinc/38/78/68/186387868.db2.gz ZIQOKIXLBNEEIF-GFCCVEGCSA-N 1 0 269.348 2.340 10 0 CEAERO [NH3+]Cc1ccc(C(=O)Nc2cc(F)cc(F)c2F)nc1 ZINC000111282377 186389421 /nfs/dbraw/zinc/38/94/21/186389421.db2.gz GYINPCVETHRDFL-UHFFFAOYSA-N 1 0 281.237 2.210 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CNc1ncnc(Cl)c1C ZINC000111295942 186392778 /nfs/dbraw/zinc/39/27/78/186392778.db2.gz NZWRVXONNINSQD-SNVBAGLBSA-N 1 0 254.765 2.335 10 0 CEAERO CCN(c1ccccc1C[C@H](C)[NH3+])[C@@H](C)COC ZINC000111502010 186425434 /nfs/dbraw/zinc/42/54/34/186425434.db2.gz CNPVPOCFYLILQU-STQMWFEESA-N 1 0 250.386 2.438 10 0 CEAERO Cc1cc(=O)[nH]c(Sc2ccc(CC[NH3+])cc2C)n1 ZINC000111582342 186430171 /nfs/dbraw/zinc/43/01/71/186430171.db2.gz DTWJDJYVDOEPQX-UHFFFAOYSA-N 1 0 275.377 2.039 10 0 CEAERO CCc1noc(CN2CCCC[C@H]2C[NH2+]C(C)(C)C)n1 ZINC000111703741 186447935 /nfs/dbraw/zinc/44/79/35/186447935.db2.gz CZSIDJXNIBDTRW-LBPRGKRZSA-N 1 0 280.416 2.375 10 0 CEAERO C[NH2+][C@@H](C)[C@H]1CCCCN1[C@@H](C)C(=O)Nc1ccccc1 ZINC000111710327 186448501 /nfs/dbraw/zinc/44/85/01/186448501.db2.gz UQAKOUDQMKUARL-OFQRWUPVSA-N 1 0 289.423 2.476 10 0 CEAERO CCC[NH2+][C@@H](C)[C@H]1CCCCN1[C@@H](C)C(=O)N(CC)CC ZINC000111712602 186450530 /nfs/dbraw/zinc/45/05/30/186450530.db2.gz 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CEAERO CO[C@@H]1CN(C(=O)c2ccc(Cl)cc2C)[C@@](C)(C[NH3+])C1 ZINC000630373052 351715269 /nfs/dbraw/zinc/71/52/69/351715269.db2.gz IRKDYYHVXHKXMG-SWLSCSKDSA-N 1 0 296.798 2.227 10 0 CEAERO CO[C@H]1CN(Cc2ccc(F)c(Cl)c2)[C@](C)(C[NH3+])C1 ZINC000630369784 351715505 /nfs/dbraw/zinc/71/55/05/351715505.db2.gz YCDFUASRSABSIB-RISCZKNCSA-N 1 0 286.778 2.417 10 0 CEAERO CC(C)c1nsc(N2CCCCC[C@@H]([NH3+])C2)n1 ZINC000630550298 351781399 /nfs/dbraw/zinc/78/13/99/351781399.db2.gz SWALSYQVRYISBR-SNVBAGLBSA-N 1 0 254.403 2.369 10 0 CEAERO [NH3+][C@@H]1CCCCCN(c2ncnc3c2CCCC3)C1 ZINC000630550396 351781421 /nfs/dbraw/zinc/78/14/21/351781421.db2.gz UKKMRLADUOUVPS-GFCCVEGCSA-N 1 0 260.385 2.063 10 0 CEAERO Cc1sc2ncnc(N3C[C@H](C)[C@@H](C[NH3+])C3)c2c1C ZINC000630566744 351788162 /nfs/dbraw/zinc/78/81/62/351788162.db2.gz FYHBQKCXDHORAR-KWQFWETISA-N 1 0 276.409 2.339 10 0 CEAERO C[C@H]1CN(c2ncc(Cl)cc2Cl)C[C@H]1C[NH3+] ZINC000630573558 351789352 /nfs/dbraw/zinc/78/93/52/351789352.db2.gz UYQFAXGZFYJLPU-JGVFFNPUSA-N 1 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VLNWWACFCVPASP-CQSZACIVSA-N 1 0 278.396 2.174 10 0 CEAERO [NH3+]C1(c2ncc(Br)cn2)CCCCC1 ZINC000070953282 363103741 /nfs/dbraw/zinc/10/37/41/363103741.db2.gz NOOQSSPUAZBPPL-UHFFFAOYSA-N 1 0 256.147 2.357 10 0 CEAERO C[N@H+](CCNC(=O)[C@@H]1C[C@H]2C[C@H]2C1)C1CCCC1 ZINC000249981652 539963311 /nfs/dbraw/zinc/96/33/11/539963311.db2.gz LDYNMGCRTXISGQ-CLLJXQQHSA-N 1 0 250.386 2.023 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@H]1c1ccncc1 ZINC000250153400 539963778 /nfs/dbraw/zinc/96/37/78/539963778.db2.gz BMPAPRRQDAEHGN-KKUMJFAQSA-N 1 0 273.380 2.120 10 0 CEAERO O=C([C@@H]1C[C@H]2C[C@H]2C1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250983926 539970841 /nfs/dbraw/zinc/97/08/41/539970841.db2.gz BQUUOCDGPOYFDC-UXXRCYHCSA-N 1 0 262.397 2.023 10 0 CEAERO Cc1ccc(C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)cc1N ZINC000251150730 539972194 /nfs/dbraw/zinc/97/21/94/539972194.db2.gz KJLVOMYPNSPGTP-HIFRSBDPSA-N 1 0 287.407 2.276 10 0 CEAERO COc1ccccc1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000155622798 188217211 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ZINC000171638964 188749370 /nfs/dbraw/zinc/74/93/70/188749370.db2.gz CAWJLONPNZQNKB-CQSZACIVSA-N 1 0 290.798 2.268 10 0 CEAERO COc1cc(Br)c2c(c1)C[C@@H]([C@@H](C)[NH3+])CO2 ZINC000675063938 540083889 /nfs/dbraw/zinc/08/38/89/540083889.db2.gz UKSDHDFLNGTNND-VXNVDRBHSA-N 1 0 286.169 2.356 10 0 CEAERO CO[C@]1(CO)CCC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000401897806 540100469 /nfs/dbraw/zinc/10/04/69/540100469.db2.gz ZEWCLXQLVPGJHE-CHWSQXEVSA-N 1 0 277.355 2.285 10 0 CEAERO Cc1ncc(C2=C[C@@H]([NH3+])CN(C(=O)OC(C)(C)C)C2)s1 ZINC000675077646 540119201 /nfs/dbraw/zinc/11/92/01/540119201.db2.gz GVIREBKCPQNDIB-LLVKDONJSA-N 1 0 295.408 2.413 10 0 CEAERO Cc1ccncc1C1=C[C@@H]([NH3+])CN(C(=O)OC(C)(C)C)C1 ZINC000675079446 540119511 /nfs/dbraw/zinc/11/95/11/540119511.db2.gz YXMDDVWLSTXCHF-CYBMUJFWSA-N 1 0 289.379 2.351 10 0 CEAERO C[C@H](C(=O)NC[C@@H]1C[C@@H]2C[C@H]([NH3+])[C@H]2C1)C(C)(C)C ZINC000675071197 540113532 /nfs/dbraw/zinc/11/35/32/540113532.db2.gz XLOBDVAEOHDIEN-KVSVUVNWSA-N 1 0 252.402 2.158 10 0 CEAERO FC(F)(F)c1ccc(-c2cnn3c2C[NH2+]CC3)nc1 ZINC000675076003 540117520 /nfs/dbraw/zinc/11/75/20/540117520.db2.gz HTELSEZSYLZXSC-UHFFFAOYSA-N 1 0 268.242 2.067 10 0 CEAERO O[C@@H]1CCC[C@H](C[N@@H+]2CCC3(C2)CCOCC3)C1 ZINC000380884863 540136378 /nfs/dbraw/zinc/13/63/78/540136378.db2.gz FPRCYUXUYOMIPA-UONOGXRCSA-N 1 0 253.386 2.040 10 0 CEAERO CCCO[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261743054 540150998 /nfs/dbraw/zinc/15/09/98/540150998.db2.gz MAEYBRSTTGQXNE-RBSFLKMASA-N 1 0 282.428 2.169 10 0 CEAERO COCCOc1ccccc1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261855103 540154433 /nfs/dbraw/zinc/15/44/33/540154433.db2.gz WFNLXTNAMIMWML-CHWSQXEVSA-N 1 0 292.379 2.025 10 0 CEAERO [NH3+]Cc1coc(-c2ncsc2Br)n1 ZINC000575471618 366292004 /nfs/dbraw/zinc/29/20/04/366292004.db2.gz IIAXNWNPKDVHGG-UHFFFAOYSA-N 1 0 260.116 2.019 10 0 CEAERO C[NH+]1CCC(c2nccc(Nc3ccccc3)n2)CC1 ZINC000575601065 366298073 /nfs/dbraw/zinc/29/80/73/366298073.db2.gz ICTVZCYMOXSWIR-UHFFFAOYSA-N 1 0 268.364 2.451 10 0 CEAERO O[C@@H](c1ccsc1Br)[C@H]1CCC[NH2+]1 ZINC000575541349 366293826 /nfs/dbraw/zinc/29/38/26/366293826.db2.gz FLFUTBCSAOYIAN-SFYZADRCSA-N 1 0 262.172 2.296 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H](C)C(C)C ZINC000079122293 363580131 /nfs/dbraw/zinc/58/01/31/363580131.db2.gz DIQSQADQQLYHRL-CHWSQXEVSA-N 1 0 257.422 2.306 10 0 CEAERO CC(C)CCN(C)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247049802 538859876 /nfs/dbraw/zinc/85/98/76/538859876.db2.gz IHFQGOMEMIXGJH-ZIAGYGMSSA-N 1 0 269.433 2.403 10 0 CEAERO CCN1CCO[C@H](C[NH2+]C[C@@H]2CC(C)=C[C@@H](C)C2)C1 ZINC000233518545 538876683 /nfs/dbraw/zinc/87/66/83/538876683.db2.gz DFFCPJQAXOJMIH-VNQPRFMTSA-N 1 0 266.429 2.289 10 0 CEAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2cncc(Br)c2)C1 ZINC000166496497 540304579 /nfs/dbraw/zinc/30/45/79/540304579.db2.gz DXBWHXNHZUVALD-VXGBXAGGSA-N 1 0 285.185 2.237 10 0 CEAERO CC[N@H+](C)C[C@@H](O)CN[C@@H](C)c1ccc(Cl)s1 ZINC000310567978 540344484 /nfs/dbraw/zinc/34/44/84/540344484.db2.gz YIGXGRRADSJPPT-UWVGGRQHSA-N 1 0 276.833 2.365 10 0 CEAERO Cc1cc(F)ccc1C(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000135350297 366430624 /nfs/dbraw/zinc/43/06/24/366430624.db2.gz QXLJZIUECHKPCC-BXUZGUMPSA-N 1 0 264.344 2.156 10 0 CEAERO NC(=O)c1cnc2ccccc2c1N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000038051117 283389396 /nfs/dbraw/zinc/38/93/96/283389396.db2.gz DWWYOAFWAAXQFI-GXTWGEPZSA-N 1 0 284.363 2.016 10 0 CEAERO CC[C@@H](COC)[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000079707090 363622962 /nfs/dbraw/zinc/62/29/62/363622962.db2.gz RASSDOPVLBFRLH-LSDHHAIUSA-N 1 0 250.386 2.304 10 0 CEAERO CC(C)[C@@H](C)NC(=O)NCCC[NH+]1CCCCC1 ZINC000078435373 540571923 /nfs/dbraw/zinc/57/19/23/540571923.db2.gz RMWCFFFYOYZFNX-CYBMUJFWSA-N 1 0 255.406 2.206 10 0 CEAERO COc1ccc(C)cc1[C@@H](C)NC(=O)C[NH2+]C(C)C ZINC000037610054 540611112 /nfs/dbraw/zinc/61/11/12/540611112.db2.gz XCJFLEKYMBZJDB-GFCCVEGCSA-N 1 0 264.369 2.179 10 0 CEAERO C/C=C/C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000685939250 540635231 /nfs/dbraw/zinc/63/52/31/540635231.db2.gz CFCNXKYECYLHRK-AZBIDPCXSA-N 1 0 262.328 2.045 10 0 CEAERO CCC[C@@H](C(=O)Nc1cc(C)ccc1O)[NH+](C)C ZINC000138013319 366550747 /nfs/dbraw/zinc/55/07/47/366550747.db2.gz VBBRWLHKKMZMPU-LBPRGKRZSA-N 1 0 250.342 2.369 10 0 CEAERO Cc1cc([C@H]2C[NH2+]C[C@@]2(C)N)ccc1Br ZINC000685965603 540664184 /nfs/dbraw/zinc/66/41/84/540664184.db2.gz KZPMLTXXKQDYTO-ZYHUDNBSSA-N 1 0 269.186 2.162 10 0 CEAERO COc1cc(C)nc(N[C@H]2CC[N@@H+](C3CCCC3)C2)n1 ZINC000329548726 202378314 /nfs/dbraw/zinc/37/83/14/202378314.db2.gz IUODWAQSUTVWJD-LBPRGKRZSA-N 1 0 276.384 2.222 10 0 CEAERO C[C@@H](NC[C@H](O)C[NH+]1CCCCC1)c1cccs1 ZINC000151266970 366635323 /nfs/dbraw/zinc/63/53/23/366635323.db2.gz KZXGHKSFYOFGKD-OLZOCXBDSA-N 1 0 268.426 2.246 10 0 CEAERO COc1ccc(F)c(NC(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000151904631 366674337 /nfs/dbraw/zinc/67/43/37/366674337.db2.gz IAQASPIIYIYUJT-SNVBAGLBSA-N 1 0 281.331 2.002 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCS[C@@H]2CCCC[C@H]21 ZINC000261757174 283513551 /nfs/dbraw/zinc/51/35/51/283513551.db2.gz NELBCXXACZJYFB-AAVRWANBSA-N 1 0 282.453 2.248 10 0 CEAERO Cc1ncccc1C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000176775930 189008522 /nfs/dbraw/zinc/00/85/22/189008522.db2.gz WHTDJZPIELIZOY-CYBMUJFWSA-N 1 0 263.385 2.096 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(C(C)=O)cc1 ZINC000177027061 189022102 /nfs/dbraw/zinc/02/21/02/189022102.db2.gz JTMBTAXUXOFXHB-INIZCTEOSA-N 1 0 288.391 2.446 10 0 CEAERO COc1cccc([C@H](C)CC(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000177646609 189061290 /nfs/dbraw/zinc/06/12/90/189061290.db2.gz XHTDNFBBCJKARA-HIFRSBDPSA-N 1 0 290.407 2.351 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc[nH]c1C ZINC000177667395 189062374 /nfs/dbraw/zinc/06/23/74/189062374.db2.gz FNIDFJXWMJXRFD-QWHCGFSZSA-N 1 0 261.369 2.022 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C(F)(F)F)nc1 ZINC000038048507 283555694 /nfs/dbraw/zinc/55/56/94/283555694.db2.gz DRSJZZVHPIZNJI-ZJUUUORDSA-N 1 0 287.285 2.100 10 0 CEAERO Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000178324341 189107371 /nfs/dbraw/zinc/10/73/71/189107371.db2.gz AKIKYKJXJKIEPQ-HNNXBMFYSA-N 1 0 287.411 2.206 10 0 CEAERO CC(C)c1ncc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000178965268 189157915 /nfs/dbraw/zinc/15/79/15/189157915.db2.gz KUUFIDFQTAMFGL-NSHDSACASA-N 1 0 279.409 2.187 10 0 CEAERO CCC[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[NH+](C)C ZINC000179334073 189186424 /nfs/dbraw/zinc/18/64/24/189186424.db2.gz JOQUTFPJNAHLIN-ZIAGYGMSSA-N 1 0 276.380 2.357 10 0 CEAERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)C(C)C)ncn1 ZINC000180576284 189262905 /nfs/dbraw/zinc/26/29/05/189262905.db2.gz SONALZIQSLZSKL-CHWSQXEVSA-N 1 0 277.416 2.121 10 0 CEAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1cc(F)c(F)c(F)c1 ZINC000180497678 189258975 /nfs/dbraw/zinc/25/89/75/189258975.db2.gz PANBDUUZNVGTJK-GXSJLCMTSA-N 1 0 288.313 2.085 10 0 CEAERO [NH3+]CCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000002383480 361233477 /nfs/dbraw/zinc/23/34/77/361233477.db2.gz KEYKSGMTHPRQBZ-UHFFFAOYSA-N 1 0 267.804 2.201 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)NCCc1ccccc1Cl ZINC000152465801 366699188 /nfs/dbraw/zinc/69/91/88/366699188.db2.gz ZRGHINZJFXZVMD-GFCCVEGCSA-N 1 0 254.761 2.126 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)c2cccc(Cl)c2)C1 ZINC000082284878 363759099 /nfs/dbraw/zinc/75/90/99/363759099.db2.gz OZGAKXUOLKDIST-LBPRGKRZSA-N 1 0 252.745 2.116 10 0 CEAERO C[C@@H](CS(C)(=O)=O)[NH2+][C@H]1CCCCc2ccccc21 ZINC000081902012 363747136 /nfs/dbraw/zinc/74/71/36/363747136.db2.gz ZETVJIVSQJCZLD-WFASDCNBSA-N 1 0 281.421 2.477 10 0 CEAERO Cc1cc(S(=O)(=O)[C@H](C[NH3+])c2ccco2)ccc1F ZINC000011847656 361366143 /nfs/dbraw/zinc/36/61/43/361366143.db2.gz HDUJZHWJMQCMOI-CYBMUJFWSA-N 1 0 283.324 2.201 10 0 CEAERO [NH3+]C1CCN(c2cc(-c3ccccc3)ncn2)CC1 ZINC000011849499 361366500 /nfs/dbraw/zinc/36/65/00/361366500.db2.gz DFUSCMJMRPDWDP-UHFFFAOYSA-N 1 0 254.337 2.071 10 0 CEAERO Cc1csc([C@H](C)N[C@H](C)[C@@H]2CCC[NH2+]C2)n1 ZINC000581619078 366802755 /nfs/dbraw/zinc/80/27/55/366802755.db2.gz XTVMYGNWHXMAHM-GRYCIOLGSA-N 1 0 253.415 2.490 10 0 CEAERO Cc1cccnc1/C=C/C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000184389200 189384644 /nfs/dbraw/zinc/38/46/44/189384644.db2.gz VIVQIPKEMLKEET-MVGZEHJDSA-N 1 0 285.391 2.100 10 0 CEAERO CCOCCCNC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC000027984284 361665283 /nfs/dbraw/zinc/66/52/83/361665283.db2.gz PNKZTYAGGGTNON-UHFFFAOYSA-N 1 0 280.368 2.032 10 0 CEAERO C[C@@H](CN(C)Cc1ccccc1)[NH2+]Cc1cn[nH]c1 ZINC000678941996 541194507 /nfs/dbraw/zinc/19/45/07/541194507.db2.gz ZUCDEUJAAAUDBH-ZDUSSCGKSA-N 1 0 258.369 2.020 10 0 CEAERO CC[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(F)cc1 ZINC000084222109 363803154 /nfs/dbraw/zinc/80/31/54/363803154.db2.gz XTRWKWNANKEGMI-HUUCEWRRSA-N 1 0 266.360 2.197 10 0 CEAERO COc1ccc([C@H](O)[C@H]([NH3+])CC(C)C)cc1OC ZINC000032108013 361727323 /nfs/dbraw/zinc/72/73/23/361727323.db2.gz IWSNJCVWVLFEPB-RISCZKNCSA-N 1 0 253.342 2.111 10 0 CEAERO COc1cc([C@@H](O)C[NH3+])ccc1OCc1ccccc1 ZINC000032120410 361730378 /nfs/dbraw/zinc/73/03/78/361730378.db2.gz VPBRTSGNLMOOQI-AWEZNQCLSA-N 1 0 273.332 2.266 10 0 in-vitro CEAERO OC1CC(C[NH2+]Cc2csc(Br)c2)C1 ZINC000084447946 363811393 /nfs/dbraw/zinc/81/13/93/363811393.db2.gz RWRSWGIXIXCJKB-UHFFFAOYSA-N 1 0 276.199 2.371 10 0 CEAERO CCCc1nsc(N2CCC(CC[NH3+])CC2)n1 ZINC000087642805 363866287 /nfs/dbraw/zinc/86/62/87/363866287.db2.gz BFPFBHHRBMTTJF-UHFFFAOYSA-N 1 0 254.403 2.056 10 0 CEAERO CCc1cc2c(ncnc2N2C[C@@H](C)[NH2+]C[C@@H]2C)s1 ZINC000086471131 363837679 /nfs/dbraw/zinc/83/76/79/363837679.db2.gz ZUONOFHNQUMULO-ZJUUUORDSA-N 1 0 276.409 2.440 10 0 CEAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000089169438 363945582 /nfs/dbraw/zinc/94/55/82/363945582.db2.gz DRFJCUFYWMXZEK-CZUORRHYSA-N 1 0 271.364 2.123 10 0 CEAERO COc1ccc([C@H](C)NC(=O)C[C@H]2CCC[NH2+]C2)cc1 ZINC000090310263 364051813 /nfs/dbraw/zinc/05/18/13/364051813.db2.gz OMTJZRLJFJBLFY-QWHCGFSZSA-N 1 0 276.380 2.262 10 0 CEAERO c1ccc2c(c1)C[C@H]2C[NH+]1CCC2(CC1)OCCO2 ZINC000092702796 364098311 /nfs/dbraw/zinc/09/83/11/364098311.db2.gz OETHJTBDUXRTPE-AWEZNQCLSA-N 1 0 259.349 2.165 10 0 CEAERO Cc1n[nH]cc1C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000092812956 364110614 /nfs/dbraw/zinc/11/06/14/364110614.db2.gz RJSWRPPAFSFNPF-ZDUSSCGKSA-N 1 0 271.368 2.047 10 0 CEAERO C[C@H]1CN(C(=O)c2cccc3[nH]ccc32)C[C@H]1[NH+](C)C ZINC000093295305 364158059 /nfs/dbraw/zinc/15/80/59/364158059.db2.gz IEUQRSJCWUNZKC-XHDPSFHLSA-N 1 0 271.364 2.190 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CC[NH2+]C1)c1ccc(F)cc1Cl ZINC000237456486 370722660 /nfs/dbraw/zinc/72/26/60/370722660.db2.gz WJODJWSVZFJZEJ-DTWKUNHWSA-N 1 0 270.735 2.266 10 0 CEAERO Cc1ccc(C)c(C(=O)CCC(=O)N2CCC[C@H]2C[NH3+])c1 ZINC000237639374 370741117 /nfs/dbraw/zinc/74/11/17/370741117.db2.gz WWUGKUONOMJNCW-AWEZNQCLSA-N 1 0 288.391 2.216 10 0 CEAERO C[C@@]1(C(=O)NC[C@H]2CCCC23CC3)CCCC[NH2+]1 ZINC000638794403 370756442 /nfs/dbraw/zinc/75/64/42/370756442.db2.gz CGODOAKHULHJJC-OCCSQVGLSA-N 1 0 250.386 2.215 10 0 CEAERO Cc1ccc([C@H](O)CN2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000093952630 364243672 /nfs/dbraw/zinc/24/36/72/364243672.db2.gz JUUMIMSZGZPTCW-IAGOWNOFSA-N 1 0 274.408 2.199 10 0 CEAERO Cc1cc(OCC[C@H]2CCC[NH2+]C2)nc(Cl)n1 ZINC000095068992 364329519 /nfs/dbraw/zinc/32/95/19/364329519.db2.gz OETJUUZEGKZOKM-SNVBAGLBSA-N 1 0 255.749 2.207 10 0 CEAERO CCOc1nc2ccccc2nc1O[C@@H]1CCC[NH2+]C1 ZINC000095069723 364330040 /nfs/dbraw/zinc/33/00/40/364330040.db2.gz NRIIUNFHTREJDG-LLVKDONJSA-N 1 0 273.336 2.159 10 0 CEAERO CSc1nccc(OCCC[C@H]2CCCC[NH2+]2)n1 ZINC000095071882 364332265 /nfs/dbraw/zinc/33/22/65/364332265.db2.gz LDCZQDYLDUWBIE-LLVKDONJSA-N 1 0 267.398 2.500 10 0 CEAERO CSc1nccnc1COCCC[C@H]1CCC[NH2+]C1 ZINC000095071963 364332306 /nfs/dbraw/zinc/33/23/06/364332306.db2.gz OLRHNINGVJLLND-GFCCVEGCSA-N 1 0 281.425 2.495 10 0 CEAERO [NH3+]C[C@@H]1CCCN(Cc2ccnc(Br)c2)C1 ZINC000095072560 364332431 /nfs/dbraw/zinc/33/24/31/364332431.db2.gz RCZTWVCNJKWONX-NSHDSACASA-N 1 0 284.201 2.015 10 0 CEAERO COc1ccc(C[C@@H]2COCC[C@H]2[NH2+]C2CC2)cc1 ZINC000095076263 364333500 /nfs/dbraw/zinc/33/35/00/364333500.db2.gz PAYCPZVADQCWQQ-CZUORRHYSA-N 1 0 261.365 2.395 10 0 CEAERO S=C1Nc2ccccc2CN1CC1CC[NH2+]CC1 ZINC000095078941 364333959 /nfs/dbraw/zinc/33/39/59/364333959.db2.gz QDCHNADOHDVPKC-UHFFFAOYSA-N 1 0 261.394 2.199 10 0 CEAERO O=C(C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)N1CCCCC1 ZINC000303041204 283760131 /nfs/dbraw/zinc/76/01/31/283760131.db2.gz OEJKJIGYCDPBED-JKSUJKDBSA-N 1 0 294.439 2.014 10 0 CEAERO Brc1ccc(CO[C@@H]2CCC[NH2+]C2)cn1 ZINC000095092429 364339102 /nfs/dbraw/zinc/33/91/02/364339102.db2.gz YIENXIJUKRGDJV-SNVBAGLBSA-N 1 0 271.158 2.113 10 0 CEAERO CCC1(CC)CCN(C(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000094802248 364297325 /nfs/dbraw/zinc/29/73/25/364297325.db2.gz QTGNYVRBMCVNFU-ZDUSSCGKSA-N 1 0 252.402 2.415 10 0 CEAERO CCOc1cc(N2CC[NH+](C(C)C)CC2)ccc1N ZINC000095943581 364394713 /nfs/dbraw/zinc/39/47/13/364394713.db2.gz WUINXRLUBJGSIZ-UHFFFAOYSA-N 1 0 263.385 2.198 10 0 CEAERO 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253.317 2.050 10 0 CEAERO C[NH2+][C@@H](C)Cc1noc(CCOc2cc(C)ccc2C)n1 ZINC000261806101 371738520 /nfs/dbraw/zinc/73/85/20/371738520.db2.gz PMISQYJEFQAMBE-ZDUSSCGKSA-N 1 0 289.379 2.458 10 0 CEAERO CC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)CCCC1 ZINC000261874572 371756282 /nfs/dbraw/zinc/75/62/82/371756282.db2.gz DODBKRHGPSAUGD-KFWWJZLASA-N 1 0 266.429 2.313 10 0 CEAERO Fc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)c(F)c1 ZINC000261882710 371761198 /nfs/dbraw/zinc/76/11/98/371761198.db2.gz FNRFMISZRVNKRK-BMFZPTHFSA-N 1 0 296.361 2.212 10 0 CEAERO C[C@H]1CN(Cc2ccc(OC(F)F)c(F)c2)C[C@@H]1[NH3+] ZINC000261926678 371773498 /nfs/dbraw/zinc/77/34/98/371773498.db2.gz CHQQMPPGZLVXQC-KWQFWETISA-N 1 0 274.286 2.206 10 0 CEAERO Fc1ccc(F)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)c1 ZINC000262013122 371799790 /nfs/dbraw/zinc/79/97/90/371799790.db2.gz VRPRWMIGNGJUGR-FVQBIDKESA-N 1 0 296.361 2.212 10 0 CEAERO CC(C)Cc1ncc(CN2C[C@H]([NH3+])[C@@H](C)C2)s1 ZINC000262052287 371813797 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O[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Br)o2)C1 ZINC000037164958 542278118 /nfs/dbraw/zinc/27/81/18/542278118.db2.gz LNCPRWODRGKUHD-DTWKUNHWSA-N 1 0 274.158 2.435 10 0 CEAERO C[C@H]1C[C@@H](O)C[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000334748759 207012386 /nfs/dbraw/zinc/01/23/86/207012386.db2.gz YSTNITZUYAQRJC-SWLSCSKDSA-N 1 0 256.349 2.438 10 0 CEAERO COc1cc(OC)c(C[NH2+][C@H]2CCC[C@H](O)C2)c(OC)c1 ZINC000037163953 542278825 /nfs/dbraw/zinc/27/88/25/542278825.db2.gz BOAZBJFOMVFBNQ-RYUDHWBXSA-N 1 0 295.379 2.106 10 0 CEAERO CCc1ccccc1S(=O)(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000186617237 270250574 /nfs/dbraw/zinc/25/05/74/270250574.db2.gz OIWSHPOREDVZCL-AWEZNQCLSA-N 1 0 296.436 2.012 10 0 CEAERO C[C@@H]([NH2+]CCCCCn1cccn1)[C@@H]1CCCO1 ZINC000183154531 542287568 /nfs/dbraw/zinc/28/75/68/542287568.db2.gz YQGNNXBLNGPWRS-KGLIPLIRSA-N 1 0 251.374 2.211 10 0 CEAERO C[C@H]([NH2+]CC(=O)NCCC1CCCCC1)[C@H]1CCCO1 ZINC000183125690 542287761 /nfs/dbraw/zinc/28/77/61/542287761.db2.gz LGTLFNKFBLLOEF-DZGCQCFKSA-N 1 0 282.428 2.230 10 0 CEAERO CC(C)CC[C@@](C)(C[NH3+])N(C)Cc1cnn(C)c1 ZINC000042488780 184554456 /nfs/dbraw/zinc/55/44/56/184554456.db2.gz MKHWLQPHFXFNOE-AWEZNQCLSA-N 1 0 252.406 2.006 10 0 CEAERO C[C@H]([NH2+]C[C@@H](O)CO[C@@H]1CCC[C@@H](C)C1)C1CC1 ZINC000037889485 184542759 /nfs/dbraw/zinc/54/27/59/184542759.db2.gz DICXYKIWXPJISX-AYRXBEOTSA-N 1 0 255.402 2.331 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(SC[C@H](O)COC)cc1 ZINC000079581676 184594400 /nfs/dbraw/zinc/59/44/00/184594400.db2.gz UPVICNLYPCQTLK-WCQYABFASA-N 1 0 269.410 2.457 10 0 CEAERO C[C@H](OC1(C[NH3+])CCCCC1)C(=O)NC1CCCC1 ZINC000086711139 184610540 /nfs/dbraw/zinc/61/05/40/184610540.db2.gz YHWWKSOFFSVYSL-LBPRGKRZSA-N 1 0 268.401 2.112 10 0 CEAERO CCCCN(CC)S(=O)(=O)c1cc(C[NH3+])ccc1F ZINC000088916313 184614234 /nfs/dbraw/zinc/61/42/34/184614234.db2.gz OMABXGWJJVPBOF-UHFFFAOYSA-N 1 0 288.388 2.095 10 0 CEAERO CC[C@H](C)N(CC)S(=O)(=O)CCCC[NH2+]C(C)C ZINC000088951384 184614910 /nfs/dbraw/zinc/61/49/10/184614910.db2.gz IWAGHGRUAXQTFM-ZDUSSCGKSA-N 1 0 278.462 2.215 10 0 CEAERO C[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccccc1C(C)(C)C ZINC000090433012 184616296 /nfs/dbraw/zinc/61/62/96/184616296.db2.gz TWDVWCIYVOYNGM-BXUZGUMPSA-N 1 0 276.380 2.157 10 0 CEAERO O=C(Nc1ccc(F)cc1)OCC1CC[NH2+]CC1 ZINC000092742638 184624444 /nfs/dbraw/zinc/62/44/44/184624444.db2.gz AKYNEPDQQWTROE-UHFFFAOYSA-N 1 0 252.289 2.374 10 0 CEAERO COc1ccc(C)cc1[C@H](C)NC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000092951988 184637108 /nfs/dbraw/zinc/63/71/08/184637108.db2.gz IPTAUZYAAJJSFH-FRRDWIJNSA-N 1 0 276.380 2.179 10 0 CEAERO CCN(CC)CC[NH2+][C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000093205251 184655134 /nfs/dbraw/zinc/65/51/34/184655134.db2.gz CNSNYEZNGKVHQL-ZIAGYGMSSA-N 1 0 299.459 2.364 10 0 CEAERO [NH3+][C@H]1CC[C@H](Nc2cc3c(cc2Cl)NC(=O)C3)C1 ZINC000093206417 184655778 /nfs/dbraw/zinc/65/57/78/184655778.db2.gz WMYZRIOGOYNBAW-IUCAKERBSA-N 1 0 265.744 2.126 10 0 CEAERO COCC[NH2+]C[C@@H](Cc1cnn(C)c1)c1ccc(C)cc1 ZINC000093137997 184651358 /nfs/dbraw/zinc/65/13/58/184651358.db2.gz OGCJACPKWBWRIW-QGZVFWFLSA-N 1 0 287.407 2.291 10 0 CEAERO COCCOCC[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000093151334 184652290 /nfs/dbraw/zinc/65/22/90/184652290.db2.gz PGUYLZZYIHYCAV-LBPRGKRZSA-N 1 0 257.761 2.435 10 0 CEAERO COCCOCC[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000093166321 184652964 /nfs/dbraw/zinc/65/29/64/184652964.db2.gz HOAZBRZAEZEWQQ-LBPRGKRZSA-N 1 0 257.761 2.435 10 0 CEAERO CS(=O)(=O)CC[C@H](C[NH2+]C1CC1)c1cccc(F)c1 ZINC000093164522 184653167 /nfs/dbraw/zinc/65/31/67/184653167.db2.gz RTITXBZQRQIOFE-GFCCVEGCSA-N 1 0 285.384 2.096 10 0 CEAERO O=S1(=O)CCC2(CC[NH2+]C[C@@H]2c2ccccc2F)CC1 ZINC000093184244 184653681 /nfs/dbraw/zinc/65/36/81/184653681.db2.gz UQXRRCZQPZTYGL-CYBMUJFWSA-N 1 0 297.395 2.098 10 0 CEAERO COCC[NH2+]C[C@H](CCOC)c1ccccc1F ZINC000093179337 184653793 /nfs/dbraw/zinc/65/37/93/184653793.db2.gz MHSXNWWFQCTILN-LBPRGKRZSA-N 1 0 255.333 2.182 10 0 CEAERO [NH3+]CCOCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000093230530 184657251 /nfs/dbraw/zinc/65/72/51/184657251.db2.gz WYZCUJNLSQTQLH-UHFFFAOYSA-N 1 0 296.676 2.273 10 0 CEAERO COCC[N@@H+]1CCN([C@@H](C)c2cccc(OC)c2)C[C@H]1C ZINC000175646437 532971964 /nfs/dbraw/zinc/97/19/64/532971964.db2.gz MIORRGKMWYPOKP-CABCVRRESA-N 1 0 292.423 2.409 10 0 CEAERO O=S1(=O)CC(CC[N@@H+]2CCCC3(CCCC3)C2)C1 ZINC000335243770 208012565 /nfs/dbraw/zinc/01/25/65/208012565.db2.gz CKOOAIQJQGEJRM-UHFFFAOYSA-N 1 0 271.426 2.077 10 0 CEAERO C[C@@H]1CN(c2cncc(Br)c2)C[C@@]1(C)C[NH3+] ZINC000335285629 208102711 /nfs/dbraw/zinc/10/27/11/208102711.db2.gz OKFIMURXFNLCAW-BXKDBHETSA-N 1 0 284.201 2.265 10 0 CEAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccccc1C1CC1 ZINC000392879471 542374939 /nfs/dbraw/zinc/37/49/39/542374939.db2.gz UREDBONNSCDIHK-ABAIWWIYSA-N 1 0 258.365 2.321 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CC(C)(C)OC(C)(C)C2)C1 ZINC000188182759 285230037 /nfs/dbraw/zinc/23/00/37/285230037.db2.gz ZVWNNSOMCOFNMI-CYBMUJFWSA-N 1 0 297.443 2.070 10 0 CEAERO C[C@H](C[C@H]1CCCC[NH2+]1)Nc1ccc(CC(N)=O)cc1 ZINC000093485509 184683176 /nfs/dbraw/zinc/68/31/76/184683176.db2.gz QNLLGSQBGAYKSX-IUODEOHRSA-N 1 0 275.396 2.047 10 0 CEAERO CC(C)CN1C(=[NH2+])NC[C@@]1(C)c1ccc(F)cc1F ZINC000093375788 184668650 /nfs/dbraw/zinc/66/86/50/184668650.db2.gz OUWFAYZNYLBWKQ-AWEZNQCLSA-N 1 0 267.323 2.466 10 0 CEAERO Cc1n[nH]c(C)c1[C@H]1CNC(=[NH2+])N1c1ccc(C)cc1 ZINC000093377113 184668693 /nfs/dbraw/zinc/66/86/93/184668693.db2.gz GUFNYISFFAYWJH-CYBMUJFWSA-N 1 0 269.352 2.211 10 0 CEAERO COCCN(c1cccc(F)c1C(N)=[NH2+])[C@@H](C)C1CC1 ZINC000093408858 184671951 /nfs/dbraw/zinc/67/19/51/184671951.db2.gz UZXMSHNRWTTYEC-JTQLQIEISA-N 1 0 279.359 2.361 10 0 CEAERO CCOC(C[NH2+][C@H]1CCO[C@@H](C(C)C)C1)OCC ZINC000093447458 184676108 /nfs/dbraw/zinc/67/61/08/184676108.db2.gz UZXYUNCNGWYLAX-QWHCGFSZSA-N 1 0 259.390 2.179 10 0 CEAERO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C1CC(O)C1 ZINC000093466109 184679298 /nfs/dbraw/zinc/67/92/98/184679298.db2.gz CTBLAJWVTSJPIC-ZIHBUVQPSA-N 1 0 298.427 2.277 10 0 CEAERO Cn1cncc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCC1=O ZINC000093470682 184680381 /nfs/dbraw/zinc/68/03/81/184680381.db2.gz SRWSAEIIHPDQHX-UONOGXRCSA-N 1 0 261.369 2.144 10 0 CEAERO CC[C@H](C)S(=O)(=O)[C@H]1CC(C)(C)CC[C@@H]1[NH2+]C ZINC000081938434 177903642 /nfs/dbraw/zinc/90/36/42/177903642.db2.gz YCVODQWPSXLBTL-SRVKXCTJSA-N 1 0 261.431 2.366 10 0 CEAERO CC[C@@H]1CC[C@@H]([NH2+]C)[C@H](Sc2nnc(C)n2C)C1 ZINC000081886079 177877252 /nfs/dbraw/zinc/87/72/52/177877252.db2.gz OEPMBRTZVZWMNA-IJLUTSLNSA-N 1 0 268.430 2.382 10 0 CEAERO CCCn1c(=O)[nH]nc1S[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C ZINC000081879218 177872694 /nfs/dbraw/zinc/87/26/94/177872694.db2.gz NVTQUAICUFIZJO-GHMZBOCLSA-N 1 0 298.456 2.240 10 0 CEAERO C[NH2+][C@H]1CCCCC[C@@H]1Sc1ncnc2[nH]cnc21 ZINC000081876562 177871310 /nfs/dbraw/zinc/87/13/10/177871310.db2.gz NDAISARLRATXQC-UWVGGRQHSA-N 1 0 277.397 2.366 10 0 CEAERO CCC[C@H]([NH3+])[C@@H](CC)Sc1nnnn1C1CC1 ZINC000081867583 177868233 /nfs/dbraw/zinc/86/82/33/177868233.db2.gz CHSVQCKZEFVSKA-VHSXEESVSA-N 1 0 255.391 2.006 10 0 CEAERO C[NH2+][C@H]1c2ccccc2CC[C@@H]1Sc1nncn1C ZINC000081867140 177867493 /nfs/dbraw/zinc/86/74/93/177867493.db2.gz PUWWQUJDJNLGNM-STQMWFEESA-N 1 0 274.393 2.183 10 0 CEAERO COC(=O)CCS[C@H](C)[C@H]([NH3+])c1ccc(OC)cc1 ZINC000081808267 177863935 /nfs/dbraw/zinc/86/39/35/177863935.db2.gz OUZBODTYFFQSSH-YGRLFVJLSA-N 1 0 283.393 2.380 10 0 CEAERO CN(C)c1nnc(S[C@@H]2Cc3ccccc3[C@H]2[NH3+])s1 ZINC000081769203 177856518 /nfs/dbraw/zinc/85/65/18/177856518.db2.gz VNLODDVODVFERL-GHMZBOCLSA-N 1 0 292.433 2.321 10 0 CEAERO CCC[NH+]1CCC(Nc2cccc(C(N)=S)n2)CC1 ZINC000081615658 177832274 /nfs/dbraw/zinc/83/22/74/177832274.db2.gz HUQOGBCYHSKNMR-UHFFFAOYSA-N 1 0 278.425 2.002 10 0 CEAERO C[NH2+]Cc1cc(N2CC[C@H](COC)C2)nc2ccccc12 ZINC000081116905 177773849 /nfs/dbraw/zinc/77/38/49/177773849.db2.gz MGXLVXCGLQDDPY-ZDUSSCGKSA-N 1 0 285.391 2.427 10 0 CEAERO NC(=[NH2+])[C@H](Cn1cc(Br)cn1)c1ccccc1 ZINC000080794095 177708032 /nfs/dbraw/zinc/70/80/32/177708032.db2.gz DTZROKYKEUSKHA-LLVKDONJSA-N 1 0 293.168 2.365 10 0 CEAERO CCC1(C(=O)N(CC2CC2)C2CC2)CC[NH2+]CC1 ZINC000080368086 177645803 /nfs/dbraw/zinc/64/58/03/177645803.db2.gz OOEIISWYVLKMJU-UHFFFAOYSA-N 1 0 250.386 2.167 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N[C@H](CC)c1nccs1 ZINC000080268750 177634004 /nfs/dbraw/zinc/63/40/04/177634004.db2.gz DIXLOTKEXNKOFB-SECBINFHSA-N 1 0 255.387 2.099 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N[C@H](C)Cc1ccc(C)s1 ZINC000080243473 177630316 /nfs/dbraw/zinc/63/03/16/177630316.db2.gz BIYZVFVXGLOOKO-GHMZBOCLSA-N 1 0 268.426 2.349 10 0 CEAERO CCOC(=O)[C@@]1(NC(C)C)CC[C@H]([NH+](CC)CC)C1 ZINC000093823027 184725645 /nfs/dbraw/zinc/72/56/45/184725645.db2.gz UNKRYXVLAKKVIH-DZGCQCFKSA-N 1 0 270.417 2.181 10 0 CEAERO CC[NH2+][C@H](COCC)Cc1ccc(OC)c(OC)c1 ZINC000093539747 184688914 /nfs/dbraw/zinc/68/89/14/184688914.db2.gz SBHBRNILXYEVNF-ZDUSSCGKSA-N 1 0 267.369 2.261 10 0 CEAERO CCCCCCOCC[C@@H]1CCC[C@]1([NH2+]C)C(N)=O ZINC000093618210 184696767 /nfs/dbraw/zinc/69/67/67/184696767.db2.gz YAYDZZKIEDVVPD-DZGCQCFKSA-N 1 0 270.417 2.217 10 0 CEAERO CC(C)CCOCC[C@H]1CCC[C@]1([NH2+]C(C)C)C(N)=O ZINC000093619998 184697144 /nfs/dbraw/zinc/69/71/44/184697144.db2.gz MGEIZKRUFOCICL-GDBMZVCRSA-N 1 0 284.444 2.461 10 0 CEAERO NC(=O)[C@@]1([NH2+]C2CC2)CCC[C@@H]1CCOC1CCCC1 ZINC000093621578 184697217 /nfs/dbraw/zinc/69/72/17/184697217.db2.gz OECKVZWWMGYHET-MLGOLLRUSA-N 1 0 280.412 2.112 10 0 CEAERO C[NH2+][C@]1(CO)CCC[C@@H]1CCOc1ccccc1F ZINC000093621257 184697517 /nfs/dbraw/zinc/69/75/17/184697517.db2.gz PFRHZBYFIKHOLH-DOMZBBRYSA-N 1 0 267.344 2.345 10 0 CEAERO [NH3+][C@@]1(CO)CCC[C@@H]1CCSCc1ccco1 ZINC000093623374 184697546 /nfs/dbraw/zinc/69/75/46/184697546.db2.gz GEWLLIOOBWKIRB-DGCLKSJQSA-N 1 0 255.383 2.393 10 0 CEAERO CCC[NH2+][C@H]1CCC[C@H]1CCS(=O)(=O)C(C)C ZINC000093623754 184697664 /nfs/dbraw/zinc/69/76/64/184697664.db2.gz MGLMXJOIFFHUFC-STQMWFEESA-N 1 0 261.431 2.368 10 0 CEAERO CC[NH2+][C@@H]1CCCC[C@@H]1c1nc([C@@H](C)OC)no1 ZINC000093693290 184707164 /nfs/dbraw/zinc/70/71/64/184707164.db2.gz VBBFHNKGHQMUTQ-OUAUKWLOSA-N 1 0 253.346 2.413 10 0 CEAERO CCn1c(C)cc(C[NH2+]CCc2nccn2C)c1C ZINC000093695263 184707446 /nfs/dbraw/zinc/70/74/46/184707446.db2.gz HEVOQLKNXFFHMD-UHFFFAOYSA-N 1 0 260.385 2.191 10 0 CEAERO CCCC1CC[NH+]([C@H]2CCC[C@](N)(C(=O)OC)C2)CC1 ZINC000093752966 184714184 /nfs/dbraw/zinc/71/41/84/184714184.db2.gz HETVLYQHYYMTNG-GOEBONIOSA-N 1 0 282.428 2.312 10 0 CEAERO C[NH2+][C@]1(CO)CCC[C@H](Oc2cccc(F)c2)C1 ZINC000093785625 184721889 /nfs/dbraw/zinc/72/18/89/184721889.db2.gz ZLZOHMZHSAYOCS-UONOGXRCSA-N 1 0 253.317 2.098 10 0 CEAERO CC[NH2+][C@]1(CO)CCC[C@@H](SC2CCOCC2)C1 ZINC000093786339 184722167 /nfs/dbraw/zinc/72/21/67/184722167.db2.gz IVDUEQXVNCCHEE-ZIAGYGMSSA-N 1 0 273.442 2.182 10 0 CEAERO CCNc1ncccc1CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000094465222 184805451 /nfs/dbraw/zinc/80/54/51/184805451.db2.gz YFLCJVBLYCTRSJ-ZFWWWQNUSA-N 1 0 274.412 2.182 10 0 CEAERO [NH3+]CCc1cnn(Cc2cc(F)cc(Br)c2)c1 ZINC000094002784 184749265 /nfs/dbraw/zinc/74/92/65/184749265.db2.gz ATOCQUQOVPZJCU-UHFFFAOYSA-N 1 0 298.159 2.334 10 0 CEAERO COc1ccc(C)cc1C(=O)N(C)CC1CC[NH2+]CC1 ZINC000094022091 184750333 /nfs/dbraw/zinc/75/03/33/184750333.db2.gz WSOOEQQNHQEHKW-UHFFFAOYSA-N 1 0 276.380 2.075 10 0 CEAERO CN(CC1CC[NH2+]CC1)C(=O)C1(c2ccccc2)CC1 ZINC000094021794 184750694 /nfs/dbraw/zinc/75/06/94/184750694.db2.gz VKFRYWQBJSDGIM-UHFFFAOYSA-N 1 0 272.392 2.176 10 0 CEAERO CCN(CC1CC[NH2+]CC1)c1nc2ccccc2n1C ZINC000094043576 184751787 /nfs/dbraw/zinc/75/17/87/184751787.db2.gz HXUBKWVHRRCRRF-UHFFFAOYSA-N 1 0 272.396 2.399 10 0 CEAERO [NH3+]C1CCC(Nc2cccc(N3CCCC3=O)c2)CC1 ZINC000094075184 184754239 /nfs/dbraw/zinc/75/42/39/184754239.db2.gz SPKUVBHRALCSIZ-UHFFFAOYSA-N 1 0 273.380 2.495 10 0 CEAERO CC[NH2+][C@@H](c1ccn(C)n1)[C@@H]1CCc2cccnc21 ZINC000094135875 184755596 /nfs/dbraw/zinc/75/55/96/184755596.db2.gz NSYWSQQMBHSSHW-IUODEOHRSA-N 1 0 256.353 2.196 10 0 CEAERO CC[NH2+][C@H](Cc1nccn1CC)Cc1ccncc1 ZINC000094159357 184757013 /nfs/dbraw/zinc/75/70/13/184757013.db2.gz IPKGNXMWAIXPMN-AWEZNQCLSA-N 1 0 258.369 2.061 10 0 CEAERO CC[NH2+][C@@H](Cc1nccn1C)[C@@H]1Cc2ccccc21 ZINC000094160793 184757831 /nfs/dbraw/zinc/75/78/31/184757831.db2.gz BWWLAQPLDNCSBI-CABCVRRESA-N 1 0 255.365 2.281 10 0 CEAERO CCCn1ccnc1C[C@@H]([NH2+]C)C1(N(C)C)CCCC1 ZINC000094163517 184758610 /nfs/dbraw/zinc/75/86/10/184758610.db2.gz BBPQTIXDOAOEBU-CQSZACIVSA-N 1 0 278.444 2.298 10 0 CEAERO CCn1c(C[C@H]([NH3+])[C@@H]2CCCOC2)nc2ccccc21 ZINC000094171623 184759328 /nfs/dbraw/zinc/75/93/28/184759328.db2.gz WHUKBYKNTNNNMU-OLZOCXBDSA-N 1 0 273.380 2.353 10 0 CEAERO C[C@H](NC(=O)c1ccc(F)c(F)c1F)[C@@H]1CCCC[NH2+]1 ZINC000094184030 184760163 /nfs/dbraw/zinc/76/01/63/184760163.db2.gz OJQOFBVELOQUBJ-KWQFWETISA-N 1 0 286.297 2.364 10 0 CEAERO CC[C@@](C)([NH3+])C(=O)Nc1ccccc1N1CCCC1 ZINC000094232650 184767044 /nfs/dbraw/zinc/76/70/44/184767044.db2.gz BYKHLBYUFLIYMI-OAHLLOKOSA-N 1 0 261.369 2.353 10 0 CEAERO COc1cc(N)ccc1SC[C@H]1CCC[NH2+]C1 ZINC000094269367 184773814 /nfs/dbraw/zinc/77/38/14/184773814.db2.gz SAULBFHXVKFREX-JTQLQIEISA-N 1 0 252.383 2.369 10 0 CEAERO [NH3+]C1(CC(=O)N[C@H]2CCCC[C@@H]2C(F)(F)F)CCC1 ZINC000094294158 184777477 /nfs/dbraw/zinc/77/74/77/184777477.db2.gz CMHJMZNHKQYTSD-UWVGGRQHSA-N 1 0 278.318 2.495 10 0 CEAERO CC1(C)CC[C@H](Sc2nnnn2C2CCCC2)[C@H]1[NH3+] ZINC000094312970 184779608 /nfs/dbraw/zinc/77/96/08/184779608.db2.gz XNKQMBMZOKIRKF-WDEREUQCSA-N 1 0 281.429 2.396 10 0 CEAERO CC1(C)CCCC[C@H]1NC(=O)c1cc[nH+]c(NN)c1 ZINC000094332666 184782488 /nfs/dbraw/zinc/78/24/88/184782488.db2.gz CFZUKZIRJDHJFM-LLVKDONJSA-N 1 0 262.357 2.066 10 0 CEAERO CC[NH2+]Cc1cc(F)c(O[C@@H]2CCCCNC2=O)c(F)c1 ZINC000094347016 184786146 /nfs/dbraw/zinc/78/61/46/184786146.db2.gz GYPUITMNBXZDTN-CYBMUJFWSA-N 1 0 298.333 2.122 10 0 CEAERO Cn1ccnc1CC[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000094371257 184790047 /nfs/dbraw/zinc/79/00/47/184790047.db2.gz GWXFVUOMGXBKEA-ZDUSSCGKSA-N 1 0 263.385 2.044 10 0 CEAERO CC[C@](C)([C@H]([NH3+])[C@@H]1CCOC2(CCC2)C1)N1CCOCC1 ZINC000094407088 184794011 /nfs/dbraw/zinc/79/40/11/184794011.db2.gz LZHKDZOBVGRJEZ-BZUAXINKSA-N 1 0 296.455 2.164 10 0 CEAERO C1C[C@@H]([C@H]2CCCCC[NH2+]2)CC2(CCOCC2)O1 ZINC000094413930 184794349 /nfs/dbraw/zinc/79/43/49/184794349.db2.gz ZMUPIJHJNOVPRU-ZIAGYGMSSA-N 1 0 253.386 2.494 10 0 CEAERO CCC(CC)[N@H+](CCO)[C@@H]1CCOC2(CCOCC2)C1 ZINC000094410976 184794615 /nfs/dbraw/zinc/79/46/15/184794615.db2.gz DIHXDUBLVOWYAX-OAHLLOKOSA-N 1 0 285.428 2.198 10 0 CEAERO CC(C)[NH2+]C[C@H](O)[C@@H]1CCOC2(CCCCC2)C1 ZINC000094418466 184795122 /nfs/dbraw/zinc/79/51/22/184795122.db2.gz KEDGIDVLPLNHLK-KGLIPLIRSA-N 1 0 255.402 2.475 10 0 CEAERO CCC[NH2+]Cc1cn([C@H]2CCO[C@]3(CCSC3)C2)nn1 ZINC000094419053 184795180 /nfs/dbraw/zinc/79/51/80/184795180.db2.gz UWBKQIWOQXQPET-UONOGXRCSA-N 1 0 296.440 2.005 10 0 CEAERO C[NH2+]Cc1cn(C)nc1-c1cc(F)c(C)cc1F ZINC000094742748 184850498 /nfs/dbraw/zinc/85/04/98/184850498.db2.gz UVBOERVSUDXSQW-UHFFFAOYSA-N 1 0 251.280 2.393 10 0 CEAERO [NH3+][C@H]1CCCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000094750852 184852914 /nfs/dbraw/zinc/85/29/14/184852914.db2.gz GDZHGQCFMFMLAK-KBPBESRZSA-N 1 0 274.364 2.468 10 0 CEAERO CCC[NH2+][C@H](Cc1cc(CC)nn1C)[C@]1(C)CCCO1 ZINC000094785041 184862940 /nfs/dbraw/zinc/86/29/40/184862940.db2.gz MAQWCQDTIBYUKX-CVEARBPZSA-N 1 0 279.428 2.462 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]C[C@@]1(C)CCCO1 ZINC000094797470 184867341 /nfs/dbraw/zinc/86/73/41/184867341.db2.gz JEYHCXHMYLFQOF-QMTHXVAHSA-N 1 0 251.374 2.257 10 0 CEAERO COc1ccc(N[C@@]2(C[NH3+])CS[C@@H](C)C2)cc1 ZINC000094473796 184807517 /nfs/dbraw/zinc/80/75/17/184807517.db2.gz IDXUEMGZJHSQTL-GWCFXTLKSA-N 1 0 252.383 2.330 10 0 CEAERO CC[NH2+][C@H](Cc1cccnc1N)[C@H]1CSCCS1 ZINC000094497678 184810564 /nfs/dbraw/zinc/81/05/64/184810564.db2.gz KVRUKHABKVLFBQ-VXGBXAGGSA-N 1 0 283.466 2.033 10 0 CEAERO Cc1nc([C@@H]2CSCCO2)nc(C)c1C[C@H](C)C[NH3+] ZINC000094505515 184811907 /nfs/dbraw/zinc/81/19/07/184811907.db2.gz SOCBZFPLUXSBNL-ZANVPECISA-N 1 0 281.425 2.035 10 0 CEAERO C[C@@H]1C[C@H]([NH3+])CN(C(=O)[C@@H]2CCCc3ccccc32)C1 ZINC000094549230 184815671 /nfs/dbraw/zinc/81/56/71/184815671.db2.gz XUNRPYIYZSJGOR-IVMMDQJWSA-N 1 0 272.392 2.302 10 0 CEAERO Cc1cc(-c2nnc(CN3C[C@H](C)C[C@H]([NH3+])C3)o2)c(C)o1 ZINC000094551063 184817092 /nfs/dbraw/zinc/81/70/92/184817092.db2.gz FWGSVARAELOPTQ-SKDRFNHKSA-N 1 0 290.367 2.116 10 0 CEAERO C[C@@H](C[NH2+]C[C@@H]1CCCO1)Sc1ccncc1 ZINC000094615532 184826585 /nfs/dbraw/zinc/82/65/85/184826585.db2.gz LPKXVNGAEAAPLL-RYUDHWBXSA-N 1 0 252.383 2.331 10 0 CEAERO Cc1noc(COc2ccc(F)cc2[C@@H](C)[NH3+])n1 ZINC000094620253 184827139 /nfs/dbraw/zinc/82/71/39/184827139.db2.gz OUVAGTVEJLKGQU-SSDOTTSWSA-N 1 0 251.261 2.116 10 0 CEAERO CC[NH2+][C@H](C)C[C@@H](C)S(=O)(=O)c1cccc(F)c1 ZINC000094625068 184828786 /nfs/dbraw/zinc/82/87/86/184828786.db2.gz LLUHVWYDBCMHJH-GHMZBOCLSA-N 1 0 273.373 2.376 10 0 CEAERO COc1ccc(C[C@@H]([NH3+])Cc2ccc(F)cc2)cn1 ZINC000094632204 184829275 /nfs/dbraw/zinc/82/92/75/184829275.db2.gz ZDJCCEXPTILIMF-AWEZNQCLSA-N 1 0 260.312 2.342 10 0 CEAERO C[NH2+][C@H](Cc1ccc(OC)nc1)[C@@H]1CCc2cccnc21 ZINC000094632710 184830599 /nfs/dbraw/zinc/83/05/99/184830599.db2.gz UHRUJKUKRRGMAN-LSDHHAIUSA-N 1 0 283.375 2.346 10 0 CEAERO COc1ccc(Cc2nc(C)c([C@H](C)C[NH3+])c(C)n2)cn1 ZINC000094633691 184830788 /nfs/dbraw/zinc/83/07/88/184830788.db2.gz OCRIIWUDQJNNGB-SNVBAGLBSA-N 1 0 286.379 2.150 10 0 CEAERO CCC(CC)Oc1cc2c(cc1CC[NH3+])OCO2 ZINC000094677291 184838732 /nfs/dbraw/zinc/83/87/32/184838732.db2.gz VCEZWNVINQAHSZ-UHFFFAOYSA-N 1 0 251.326 2.484 10 0 CEAERO CC(C)C[C@H](C[NH3+])C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000094697378 184841488 /nfs/dbraw/zinc/84/14/88/184841488.db2.gz CMJLHYNSIMASFC-GFCCVEGCSA-N 1 0 289.379 2.131 10 0 CEAERO Cc1cc(F)c([C@@H]([NH3+])CC(C)(C)C(N)=O)cc1F ZINC000094708343 184844763 /nfs/dbraw/zinc/84/47/63/184844763.db2.gz PIMPAORDHDKAGJ-NSHDSACASA-N 1 0 256.296 2.175 10 0 CEAERO CC1(C)C[NH2+][C@@](C)(C2CC2)CN1Cc1nccs1 ZINC000094980327 184910251 /nfs/dbraw/zinc/91/02/51/184910251.db2.gz ASEZJJWYXAXLSS-CQSZACIVSA-N 1 0 265.426 2.496 10 0 CEAERO CC(C)(C)[NH2+]Cc1cnn(Cc2nccs2)c1 ZINC000094978795 184910417 /nfs/dbraw/zinc/91/04/17/184910417.db2.gz FHKYNZGPUDQOSW-UHFFFAOYSA-N 1 0 250.371 2.276 10 0 CEAERO COc1ncccc1CN1CC(C)(C)[NH2+]C[C@]1(C)C1CC1 ZINC000095011409 184915261 /nfs/dbraw/zinc/91/52/61/184915261.db2.gz GMLZIHAMZHNNQW-QGZVFWFLSA-N 1 0 289.423 2.443 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1NCc1cnc(Cl)nc1Cl ZINC000095072291 184933824 /nfs/dbraw/zinc/93/38/24/184933824.db2.gz MAIYHRUBZZNRPA-DTWKUNHWSA-N 1 0 275.183 2.143 10 0 CEAERO CO[C@@H]1CC[N@H+](C[C@H](O)COCc2ccccc2)[C@@H](C)C1 ZINC000281516284 195271774 /nfs/dbraw/zinc/27/17/74/195271774.db2.gz AJEIONLDRBBHKD-BHYGNILZSA-N 1 0 293.407 2.063 10 0 CEAERO CC[NH2+][C@@H]1COC[C@@H]1C(=O)NCC1(CC(C)C)CCCC1 ZINC000094876155 184885363 /nfs/dbraw/zinc/88/53/63/184885363.db2.gz AFALBUAEWHPDOE-LSDHHAIUSA-N 1 0 296.455 2.334 10 0 CEAERO Cc1cscc1CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000094877208 184886548 /nfs/dbraw/zinc/88/65/48/184886548.db2.gz DWHAUHVLWOPISB-LLVKDONJSA-N 1 0 292.326 2.215 10 0 CEAERO Cc1cc(F)ccc1CC[NH2+][C@@H](C)C(=O)NC(C)C ZINC000094954803 184903189 /nfs/dbraw/zinc/90/31/89/184903189.db2.gz JDDKANHZRYSQNW-LBPRGKRZSA-N 1 0 266.360 2.179 10 0 CEAERO CC[C@H](CC[NH3+])CNC(=O)Nc1ccc(F)cc1F ZINC000094962221 184906583 /nfs/dbraw/zinc/90/65/83/184906583.db2.gz ZHWHVCGNEBHDDU-SECBINFHSA-N 1 0 271.311 2.461 10 0 CEAERO CC[NH2+]C[C@H]1CCCN1Cc1nc(C)c(C)s1 ZINC000094967419 184907189 /nfs/dbraw/zinc/90/71/89/184907189.db2.gz SDYZJKDFIITNIV-GFCCVEGCSA-N 1 0 253.415 2.334 10 0 CEAERO O[C@]12CCCC[C@@H]1C[N@H+](C[C@@H]1CCC=CO1)CC2 ZINC000248881242 285379079 /nfs/dbraw/zinc/37/90/79/285379079.db2.gz KUGJRTDEBIYEDI-ILXRZTDVSA-N 1 0 251.370 2.306 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCNC1=O)c1ccc(F)c(Cl)c1 ZINC000179064829 533524931 /nfs/dbraw/zinc/52/49/31/533524931.db2.gz MMYRFQKYUYDUJQ-RDDDGLTNSA-N 1 0 256.708 2.018 10 0 CEAERO CCN(CCC[NH+](C)C)C(=O)N[C@@H]1COc2ccccc21 ZINC000189151792 129928355 /nfs/dbraw/zinc/92/83/55/129928355.db2.gz UGKMYVLWCQGTQW-CQSZACIVSA-N 1 0 291.395 2.103 10 0 CEAERO C[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000190591969 130124161 /nfs/dbraw/zinc/12/41/61/130124161.db2.gz WWYYIUKSHMFFRA-AVGNSLFASA-N 1 0 296.436 2.282 10 0 CEAERO COc1c(C[NH2+]CCc2ccccc2OC)c(C)nn1C ZINC000226326814 130823689 /nfs/dbraw/zinc/82/36/89/130823689.db2.gz KCOWJURDWMGRMZ-UHFFFAOYSA-N 1 0 289.379 2.078 10 0 CEAERO C[C@H]([NH3+])C(=O)N[C@@H](CCc1ccccc1)C(F)(F)F ZINC000262098448 131191276 /nfs/dbraw/zinc/19/12/76/131191276.db2.gz CILQTNHEJNKYDM-ONGXEEELSA-N 1 0 274.286 2.014 10 0 CEAERO C[C@H](O)c1c(F)cccc1N1CCC([NH+](C)C)CC1 ZINC000036192626 134810504 /nfs/dbraw/zinc/81/05/04/134810504.db2.gz QBPZYZJINJUYCM-NSHDSACASA-N 1 0 266.360 2.409 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1N1CCN(c2ccccc2Cl)CC1 ZINC000040989095 134875476 /nfs/dbraw/zinc/87/54/76/134875476.db2.gz HLUMTQRMSCFRCO-DZGCQCFKSA-N 1 0 279.815 2.342 10 0 CEAERO C[C@H]([NH3+])c1c(F)cccc1N1CCOCC1(C)C ZINC000042462353 134895348 /nfs/dbraw/zinc/89/53/48/134895348.db2.gz PRGRIGFNUBRYBO-JTQLQIEISA-N 1 0 252.333 2.461 10 0 CEAERO CC[NH2+][C@H](C)[C@H](C)N1CCN(c2cccc(OC)c2)CC1 ZINC000043818667 134907957 /nfs/dbraw/zinc/90/79/57/134907957.db2.gz MAPPHNWKNXPTFQ-CABCVRRESA-N 1 0 291.439 2.204 10 0 CEAERO CC1(C)C[NH2+]CCN1c1ncccc1Br ZINC000082475368 135007415 /nfs/dbraw/zinc/00/74/15/135007415.db2.gz GSVRAFDVHIPLEA-UHFFFAOYSA-N 1 0 270.174 2.032 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCN1CCCc2ccccc21 ZINC000085238992 135035622 /nfs/dbraw/zinc/03/56/22/135035622.db2.gz SHCWYWRXTYTHIL-MRXNPFEDSA-N 1 0 262.397 2.190 10 0 CEAERO COc1ccc(OC)c(N2C[C@@H](C3CC3)[NH2+]C[C@@H]2C)c1 ZINC000086179556 135039626 /nfs/dbraw/zinc/03/96/26/135039626.db2.gz KVDLUKBIGLWSLE-FZMZJTMJSA-N 1 0 276.380 2.281 10 0 CEAERO [NH3+][C@H]1CCN(C(=O)c2ccncc2F)c2ccccc21 ZINC000086315790 135039885 /nfs/dbraw/zinc/03/98/85/135039885.db2.gz OSIKIUIVGYHTGM-ZDUSSCGKSA-N 1 0 271.295 2.271 10 0 CEAERO [NH3+][C@H]1CCN(C(=O)CC[C@H]2CCCO2)c2ccccc21 ZINC000087203559 135049000 /nfs/dbraw/zinc/04/90/00/135049000.db2.gz JLPLWRLAZFXJRA-OCCSQVGLSA-N 1 0 274.364 2.382 10 0 CEAERO C[NH2+][C@H](C[C@@H]1CCCO1)c1ccc2c(c1)CCC(=O)N2C ZINC000087215161 135049126 /nfs/dbraw/zinc/04/91/26/135049126.db2.gz OFVHLLQPQZQTLR-LSDHHAIUSA-N 1 0 288.391 2.425 10 0 CEAERO C[C@@H]([NH3+])CCC[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000087683751 135050757 /nfs/dbraw/zinc/05/07/57/135050757.db2.gz PCRHNFJAZIZVCG-VXGBXAGGSA-N 1 0 289.379 2.125 10 0 CEAERO Cc1nnc(N2CCC[C@@H](C(F)(F)F)C2)c(C[NH3+])c1C ZINC000088416168 135053963 /nfs/dbraw/zinc/05/39/63/135053963.db2.gz ZYVVHXBFXWRHBL-SNVBAGLBSA-N 1 0 288.317 2.331 10 0 CEAERO NC(=[NH2+])c1ccnc(N2CCC[C@H](C(F)(F)F)C2)c1 ZINC000088421415 135054699 /nfs/dbraw/zinc/05/46/99/135054699.db2.gz UJFZKCLUWZJLLQ-VIFPVBQESA-N 1 0 272.274 2.144 10 0 CEAERO CC(C)[NH2+]C[C@@H](C)S(=O)(=O)N1CCCc2ccccc21 ZINC000088924976 135057733 /nfs/dbraw/zinc/05/77/33/135057733.db2.gz MDMKJLUJXDQHHM-CYBMUJFWSA-N 1 0 296.436 2.156 10 0 CEAERO CCCOc1cc(N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ncn1 ZINC000090785123 135065130 /nfs/dbraw/zinc/06/51/30/135065130.db2.gz ZEJPWYLUYJYBIS-KGLIPLIRSA-N 1 0 290.411 2.234 10 0 CEAERO C[C@@H]([NH3+])Cc1ccc(N2C[C@H]3CC[C@@H](C2)O3)c(F)c1 ZINC000090908289 135066811 /nfs/dbraw/zinc/06/68/11/135066811.db2.gz UOJMFRDODLCACA-RTXFEEFZSA-N 1 0 264.344 2.083 10 0 CEAERO CCC[NH2+]Cc1cncc(N2C[C@H](C)C[C@H](C)C2)n1 ZINC000091418845 135069335 /nfs/dbraw/zinc/06/93/35/135069335.db2.gz MILXMDZMTAHTQU-BETUJISGSA-N 1 0 262.401 2.459 10 0 CEAERO C[C@@H]1Cc2ccccc2N(c2cncc(C[NH3+])n2)C1 ZINC000091421551 135069533 /nfs/dbraw/zinc/06/95/33/135069533.db2.gz ISMILCQLBGBHKR-LLVKDONJSA-N 1 0 254.337 2.266 10 0 CEAERO Cc1cccc(N2CCN(C[C@H]3CC[NH2+][C@H]3C)CC2)c1 ZINC000092957677 135077612 /nfs/dbraw/zinc/07/76/12/135077612.db2.gz FBORPFHERXNERL-JKSUJKDBSA-N 1 0 273.424 2.115 10 0 CEAERO 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286.803 2.344 10 0 CEAERO CCCCOC[C@@H](O)C[N@H+](C)C[C@@H](C)c1nccs1 ZINC000195216555 395461958 /nfs/dbraw/zinc/46/19/58/395461958.db2.gz OAMBNHUFJYJJMD-OLZOCXBDSA-N 1 0 286.441 2.356 10 0 CEAERO CC[N@@H+]1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000195261185 395462804 /nfs/dbraw/zinc/46/28/04/395462804.db2.gz IWNBULXPQGVTQM-LBPRGKRZSA-N 1 0 253.415 2.225 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cc2cc(F)ccc2o1 ZINC000193595645 395412212 /nfs/dbraw/zinc/41/22/12/395412212.db2.gz DOVSSWMWUKNBAV-JOYOIKCWSA-N 1 0 276.311 2.442 10 0 CEAERO CC1CCC(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000355415953 395442526 /nfs/dbraw/zinc/44/25/26/395442526.db2.gz GZRULLHCIYUUGR-JYVUQVBGSA-N 1 0 279.428 2.443 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)NC1CC(c2ccccc2)C1 ZINC000568236498 395552384 /nfs/dbraw/zinc/55/23/84/395552384.db2.gz MKESNMJZSQUNAE-IUDNXUCKSA-N 1 0 272.392 2.439 10 0 CEAERO C[C@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)c1ccccc1Cl ZINC000647906688 395770711 /nfs/dbraw/zinc/77/07/11/395770711.db2.gz KXNRUHZNCHUGBH-LPEHRKFASA-N 1 0 252.745 2.255 10 0 CEAERO CC(C)[C@@H]1CN(C(=O)C2CCC([NH3+])CC2)CCS1 ZINC000648099355 395837187 /nfs/dbraw/zinc/83/71/87/395837187.db2.gz SLCIIWCMIWXVHG-BPCQOVAHSA-N 1 0 270.442 2.104 10 0 CEAERO CC(C)OC1CCC(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000649375794 396133972 /nfs/dbraw/zinc/13/39/72/396133972.db2.gz SWRRYNNZQARQKY-DNDYEEKYSA-N 1 0 282.428 2.356 10 0 CEAERO [NH3+]C1CCC(C(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000037623101 400117670 /nfs/dbraw/zinc/11/76/70/400117670.db2.gz KGUFCDDPMZZFRN-UHFFFAOYSA-N 1 0 254.280 2.421 10 0 CEAERO C[C@@H](NC(=O)C[NH2+]C1CC1)c1cccc(Br)c1 ZINC000037609303 400117949 /nfs/dbraw/zinc/11/79/49/400117949.db2.gz MJZTYOUEMILKOV-SECBINFHSA-N 1 0 297.196 2.378 10 0 CEAERO COc1ccc(OC)c(C[NH2+]CC[C@@H]2CCCO2)c1 ZINC000037988596 400123301 /nfs/dbraw/zinc/12/33/01/400123301.db2.gz JPVJRWIPFWGPEV-ZDUSSCGKSA-N 1 0 265.353 2.363 10 0 CEAERO [NH3+]CC(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000306653620 400335369 /nfs/dbraw/zinc/33/53/69/400335369.db2.gz HBYJUEVBCDPFSF-UHFFFAOYSA-N 1 0 281.512 2.139 10 0 CEAERO C[C@H]1[C@H](Nc2nn(C)cc2N)CC[N@@H+]1Cc1ccccc1 ZINC000307727986 400340004 /nfs/dbraw/zinc/34/00/04/400340004.db2.gz FOSLSZCGZQFPKU-SWLSCSKDSA-N 1 0 285.395 2.077 10 0 CEAERO Cc1cc(C(C)C)nc(N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000388751251 400534106 /nfs/dbraw/zinc/53/41/06/400534106.db2.gz MPIPSNCKXKCMCY-YNEHKIRRSA-N 1 0 260.385 2.082 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H](C)COCc1ccccc1 ZINC000390754687 400540526 /nfs/dbraw/zinc/54/05/26/400540526.db2.gz UZONYUGCMNLKBK-HIFRSBDPSA-N 1 0 278.396 2.081 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H]2CCCC23CCC3)C1 ZINC000394799245 400553774 /nfs/dbraw/zinc/55/37/74/400553774.db2.gz LIONHHBOXZBPNF-ZIAGYGMSSA-N 1 0 252.402 2.020 10 0 CEAERO CC(C)CCN(C(=O)[C@H]1CCC[NH2+][C@@H]1C)C1CC1 ZINC000395246212 400555039 /nfs/dbraw/zinc/55/50/39/400555039.db2.gz URNHPCMVQJCAGB-OCCSQVGLSA-N 1 0 252.402 2.412 10 0 CEAERO c1ccc(CN2C[C@H]3C[C@@H](C2)C3[NH2+]C[C@H]2CCCO2)cc1 ZINC000399636638 400564999 /nfs/dbraw/zinc/56/49/99/400564999.db2.gz XBCQXOWTSLHHSJ-SOABOVLPSA-N 1 0 286.419 2.276 10 0 CEAERO Cc1cc(NCCC2CC[NH2+]CC2)ncc1Br ZINC000650310818 400866945 /nfs/dbraw/zinc/86/69/45/400866945.db2.gz BCAFWYUPXJTZKM-UHFFFAOYSA-N 1 0 298.228 2.376 10 0 CEAERO Brc1ccc(NCCC2CC[NH2+]CC2)nc1 ZINC000650310825 400867022 /nfs/dbraw/zinc/86/70/22/400867022.db2.gz BLONJDVQCGWSHP-UHFFFAOYSA-N 1 0 284.201 2.068 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]CC(O)(CC)CC)C12CCOCC2 ZINC000186297416 286278833 /nfs/dbraw/zinc/27/88/33/286278833.db2.gz DUAJCLAVFVANBP-ZIAGYGMSSA-N 1 0 285.428 2.101 10 0 CEAERO O=C([C@H]1C[C@H](F)C[NH2+]1)N1CCC(c2ccccc2)CC1 ZINC000188307379 153050024 /nfs/dbraw/zinc/05/00/24/153050024.db2.gz MCWPFVIPHNCMFN-LSDHHAIUSA-N 1 0 276.355 2.093 10 0 CEAERO COc1ccc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)cc1O ZINC000188409320 153055452 /nfs/dbraw/zinc/05/54/52/153055452.db2.gz HQFWJAZQBSMOKL-CQSZACIVSA-N 1 0 287.363 2.262 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cn(C(C)(C)C)nn1 ZINC000191462801 153177986 /nfs/dbraw/zinc/17/79/86/153177986.db2.gz AUVSJVFVFSTODF-LSDHHAIUSA-N 1 0 291.443 2.092 10 0 CEAERO C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000191865607 153193332 /nfs/dbraw/zinc/19/33/32/153193332.db2.gz RLUFVVXJODGILD-MJBXVCDLSA-N 1 0 284.444 2.284 10 0 CEAERO CSC1(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CCC1 ZINC000195101429 153276688 /nfs/dbraw/zinc/27/66/88/153276688.db2.gz AHLGCALQRFPOHB-QWHCGFSZSA-N 1 0 297.468 2.150 10 0 CEAERO O=C(c1cc2ccccc2o1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195313122 153281575 /nfs/dbraw/zinc/28/15/75/153281575.db2.gz AEBJQMGVXFZTAK-ZDUSSCGKSA-N 1 0 270.332 2.353 10 0 CEAERO Cc1ccc(SCC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000195310291 153284479 /nfs/dbraw/zinc/28/44/79/153284479.db2.gz UOSLXMLPKDNEEX-AWEZNQCLSA-N 1 0 290.432 2.394 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@H](O)C(F)(F)F)c1C ZINC000222632320 153317094 /nfs/dbraw/zinc/31/70/94/153317094.db2.gz NZTUGXPQQUTEAU-XVKPBYJWSA-N 1 0 279.306 2.094 10 0 CEAERO C[NH2+]Cc1ccccc1NC(=O)c1cnc(C)s1 ZINC000226203454 153331422 /nfs/dbraw/zinc/33/14/22/153331422.db2.gz VEILVQPZHOCEDG-UHFFFAOYSA-N 1 0 261.350 2.423 10 0 CEAERO OCC[C@H]1CC[N@H+](CCOc2cccc(Cl)c2)C1 ZINC000227576266 153346764 /nfs/dbraw/zinc/34/67/64/153346764.db2.gz MXLYTBYXQAEPJX-GFCCVEGCSA-N 1 0 269.772 2.423 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCc1ccoc1 ZINC000245902654 153515833 /nfs/dbraw/zinc/51/58/33/153515833.db2.gz SUHXWVLLSNNCSJ-CABCVRRESA-N 1 0 276.380 2.297 10 0 CEAERO CCN(C)c1ccc(C[NH2+]C[C@H]2CCCC[C@H]2O)cn1 ZINC000249397250 153699762 /nfs/dbraw/zinc/69/97/62/153699762.db2.gz GZYBDJNFNXYAJM-HUUCEWRRSA-N 1 0 277.412 2.178 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)c1ncoc1-c1ccccc1Cl ZINC000261664947 153802963 /nfs/dbraw/zinc/80/29/63/153802963.db2.gz GFLAMEGNYRLONC-SECBINFHSA-N 1 0 293.754 2.333 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)c1cccc(OCC(C)C)c1 ZINC000261865040 153862490 /nfs/dbraw/zinc/86/24/90/153862490.db2.gz YWJUDSRJWBQQPA-LBPRGKRZSA-N 1 0 264.369 2.059 10 0 CEAERO [NH3+][C@H](CNC(=O)c1ccccc1SC(F)F)C1CC1 ZINC000261925087 153875887 /nfs/dbraw/zinc/87/58/87/153875887.db2.gz JPQIKMHJOWVLAO-SNVBAGLBSA-N 1 0 286.347 2.468 10 0 CEAERO CC[C@H]1CC[C@H]1[NH2+]C1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263531663 154118446 /nfs/dbraw/zinc/11/84/46/154118446.db2.gz WVHRSVYKBWQMES-VXGQWTEUSA-N 1 0 280.412 2.092 10 0 CEAERO CC[C@H]1CN(c2ccnc(Cl)c2)CC[N@@H+]1C[C@H](C)O ZINC000268146071 154143380 /nfs/dbraw/zinc/14/33/80/154143380.db2.gz DLMYRKGHPNCTPW-RYUDHWBXSA-N 1 0 283.803 2.016 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+]CC(CC)(CC)CO)C12CCOCC2 ZINC000186431891 286490113 /nfs/dbraw/zinc/49/01/13/286490113.db2.gz NDAMIZJZONMNSU-CABCVRRESA-N 1 0 299.455 2.349 10 0 CEAERO C[C@@H]([NH3+])[C@@H]1CCCN(c2ccncc2Br)C1 ZINC000159905842 162318732 /nfs/dbraw/zinc/31/87/32/162318732.db2.gz ZGCPWYIPXRGDJC-NXEZZACHSA-N 1 0 284.201 2.408 10 0 CEAERO CCCO[C@@H]1CCCN(Cc2nnc(C3CC3)n2C)CC1 ZINC000170989681 162377379 /nfs/dbraw/zinc/37/73/79/162377379.db2.gz QHPLBALCPVWYIV-CQSZACIVSA-N 1 0 292.427 2.474 10 0 CEAERO CC(=O)NCCC[N@@H+]1C[C@@H](c2ccccc2)OCC1(C)C ZINC000171241568 162380248 /nfs/dbraw/zinc/38/02/48/162380248.db2.gz KBNUGZYQZWQXSZ-INIZCTEOSA-N 1 0 290.407 2.365 10 0 CEAERO CC(C)N(C(=O)[C@H](C)[N@@H+]1CCS[C@@H](C)C1)C(C)C ZINC000171696576 162387862 /nfs/dbraw/zinc/38/78/62/162387862.db2.gz LBDLUUMXWAERMK-STQMWFEESA-N 1 0 272.458 2.458 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1sccc1Br ZINC000261529391 162541778 /nfs/dbraw/zinc/54/17/78/162541778.db2.gz AQZHJHJDOWQEAC-POYBYMJQSA-N 1 0 289.198 2.072 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)Nc1cccc(Cl)c1 ZINC000261543016 162544483 /nfs/dbraw/zinc/54/44/83/162544483.db2.gz CPIPYMVEHQYFMW-GZMMTYOYSA-N 1 0 253.733 2.293 10 0 CEAERO Cc1nc(C[C@@H]2CCCN(CC[NH+]3CCCCC3)C2)no1 ZINC000172653543 165062133 /nfs/dbraw/zinc/06/21/33/165062133.db2.gz LAELRFKIJHDZSC-HNNXBMFYSA-N 1 0 292.427 2.118 10 0 CEAERO CCCCOCCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000174401308 165104560 /nfs/dbraw/zinc/10/45/60/165104560.db2.gz ZKFODDAYGLCIDS-GJZGRUSLSA-N 1 0 297.443 2.071 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc(C)c(C)o1 ZINC000175054785 165123048 /nfs/dbraw/zinc/12/30/48/165123048.db2.gz IVPQSDODAQEUCW-UONOGXRCSA-N 1 0 263.385 2.350 10 0 CEAERO Cc1ccccc1CCC[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000175910213 165147767 /nfs/dbraw/zinc/14/77/67/165147767.db2.gz LEFSSJQRMWFUCT-SFHVURJKSA-N 1 0 288.435 2.334 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(OC)cs1 ZINC000176936182 165180766 /nfs/dbraw/zinc/18/07/66/165180766.db2.gz SHUZZOWDLABLDE-VXGBXAGGSA-N 1 0 294.420 2.456 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccc2c(c1)OCCO2 ZINC000177715167 165206763 /nfs/dbraw/zinc/20/67/63/165206763.db2.gz UHCWASODDBOVKS-OAHLLOKOSA-N 1 0 290.407 2.374 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)COc2cc(C)ccc2F)C1 ZINC000178106344 165222535 /nfs/dbraw/zinc/22/25/35/165222535.db2.gz BMEAKAFIOOBQMI-ZDUSSCGKSA-N 1 0 294.370 2.113 10 0 CEAERO C[C@@H](COCc1ccccc1)NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000178158030 165223641 /nfs/dbraw/zinc/22/36/41/165223641.db2.gz BIYWNHWDPFYHDP-YOEHRIQHSA-N 1 0 298.386 2.408 10 0 CEAERO CC(C)c1nc([C@@H]2CCCN2CC2CC[NH2+]CC2)no1 ZINC000178971362 165264511 /nfs/dbraw/zinc/26/45/11/165264511.db2.gz HCYPRCLKEPKCMS-ZDUSSCGKSA-N 1 0 278.400 2.330 10 0 CEAERO O=C(NCC1(C2CC2)CCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179100574 165267407 /nfs/dbraw/zinc/26/74/07/165267407.db2.gz OLGVRHLGWDEEBE-CQSZACIVSA-N 1 0 277.412 2.056 10 0 CEAERO CC[C@@H](C)C[NH2+][C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000180231370 165303068 /nfs/dbraw/zinc/30/30/68/165303068.db2.gz MBLUQQGMVJGTGR-VXGBXAGGSA-N 1 0 250.390 2.352 10 0 CEAERO Cc1c(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cnn1C(C)C ZINC000180386623 165305409 /nfs/dbraw/zinc/30/54/09/165305409.db2.gz WQENZVVVUQUOOW-WFASDCNBSA-N 1 0 292.427 2.231 10 0 CEAERO c1cc(C2CC[NH+](CCO[C@@H]3CCCCO3)CC2)n[nH]1 ZINC000181670681 165353752 /nfs/dbraw/zinc/35/37/52/165353752.db2.gz KSCCQHZULXPWES-OAHLLOKOSA-N 1 0 279.384 2.132 10 0 CEAERO COCc1ccsc1C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000181898070 165361245 /nfs/dbraw/zinc/36/12/45/165361245.db2.gz DGFANCSGJBYFOK-DGCLKSJQSA-N 1 0 294.420 2.203 10 0 CEAERO Nc1[nH]c2cc([S@](=O)c3ccccc3)ccc2[nH+]1 ZINC000005117413 170067675 /nfs/dbraw/zinc/06/76/75/170067675.db2.gz IWVYUWQPDMROLN-SFHVURJKSA-N 1 0 257.318 2.312 10 0 CEAERO CC[NH+](CC)CCCNC(=O)C(Cl)(Cl)Cl ZINC000005591569 170117114 /nfs/dbraw/zinc/11/71/14/170117114.db2.gz MWUGNQFKOUFCCZ-UHFFFAOYSA-N 1 0 275.607 2.205 10 0 CEAERO Cc1cc(N)ccc1NC(=O)C[N@H+]1CCC[C@@H](C)C1 ZINC000006533754 170211235 /nfs/dbraw/zinc/21/12/35/170211235.db2.gz DPMALXCWLSGRAU-LLVKDONJSA-N 1 0 261.369 2.248 10 0 CEAERO CCCNC(=O)NC(=O)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000008173692 170322877 /nfs/dbraw/zinc/32/28/77/170322877.db2.gz ISRWPFACVKWHJQ-JTQLQIEISA-N 1 0 297.786 2.226 10 0 CEAERO COc1ccc(OCC(=O)Nc2cccc(C[NH3+])c2)cc1 ZINC000019260465 170761878 /nfs/dbraw/zinc/76/18/78/170761878.db2.gz RGISUFZLGFKKAW-UHFFFAOYSA-N 1 0 286.331 2.171 10 0 CEAERO CC[NH+](CC)CCCC(=O)Nc1ccc(C(N)=S)cc1 ZINC000019433503 170798762 /nfs/dbraw/zinc/79/87/62/170798762.db2.gz ATTXICXDKLAKMA-UHFFFAOYSA-N 1 0 293.436 2.381 10 0 CEAERO COc1ccc(Cl)cc1SC[C@@H](O)CC[NH3+] ZINC000019687163 170840313 /nfs/dbraw/zinc/84/03/13/170840313.db2.gz JDFDWDNJCUFJRO-VIFPVBQESA-N 1 0 261.774 2.150 10 0 CEAERO O=C(CC[NH2+]Cc1ccc(Cl)cc1)N1CCCC1 ZINC000020127110 171012075 /nfs/dbraw/zinc/01/20/75/171012075.db2.gz RBSGGTBFEGZFMN-UHFFFAOYSA-N 1 0 266.772 2.442 10 0 CEAERO C[C@@H](C[NH2+]CCC(=O)N1CCCC1)c1ccccc1 ZINC000020127378 171013075 /nfs/dbraw/zinc/01/30/75/171013075.db2.gz BAYZHHUQSMBQIY-AWEZNQCLSA-N 1 0 260.381 2.392 10 0 CEAERO CN(C)C[C@@H]([NH2+][C@H]1CCSC1)c1ccccc1 ZINC000020129270 171016988 /nfs/dbraw/zinc/01/69/88/171016988.db2.gz KFJIFFBHIWODRB-UONOGXRCSA-N 1 0 250.411 2.384 10 0 CEAERO Cc1cc([C@@H](C)[NH2+][C@H]2CCS(=O)(=O)C2)c(C)s1 ZINC000020133335 171021432 /nfs/dbraw/zinc/02/14/32/171021432.db2.gz CIHPHQFKMSRJGX-KOLCDFICSA-N 1 0 273.423 2.203 10 0 CEAERO COc1ccccc1N(CCC[NH3+])C(=O)C(C)(C)C ZINC000020233562 171095518 /nfs/dbraw/zinc/09/55/18/171095518.db2.gz YXMDJGUBVQONNW-UHFFFAOYSA-N 1 0 264.369 2.423 10 0 CEAERO [NH3+]C[C@H](c1ccc(OC(F)F)cc1)N1CCSCC1 ZINC000020257057 171111582 /nfs/dbraw/zinc/11/15/82/171111582.db2.gz JEFXPZYHLQEKDA-GFCCVEGCSA-N 1 0 288.363 2.337 10 0 CEAERO [NH3+]C[C@H](c1ccc(F)c(F)c1)N1CCSCC1 ZINC000020257016 171112061 /nfs/dbraw/zinc/11/20/61/171112061.db2.gz SCCRPNHEPUCUGU-GFCCVEGCSA-N 1 0 258.337 2.013 10 0 CEAERO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]CCc1ccc(OC)cc1 ZINC000020364309 171162740 /nfs/dbraw/zinc/16/27/40/171162740.db2.gz KUOUCYDEYRDUDK-QWHCGFSZSA-N 1 0 278.396 2.131 10 0 CEAERO CCC[C@@H](C)NC(=O)[C@H](C)NCC[NH+](C(C)C)C(C)C ZINC000020365919 171164919 /nfs/dbraw/zinc/16/49/19/171164919.db2.gz QZRLTPLWDUWBQX-CABCVRRESA-N 1 0 285.476 2.388 10 0 CEAERO Cc1ccc(NC(=O)[C@@H]2CC[C@H](C)[NH2+]C2)c(F)c1 ZINC000020372711 171168914 /nfs/dbraw/zinc/16/89/14/171168914.db2.gz VKOVFQFHOPJYPO-WDEREUQCSA-N 1 0 250.317 2.461 10 0 CEAERO CCC1N=NC(=S)N1CCC[N@@H+]1CCCC[C@@H]1C ZINC000020589302 171260576 /nfs/dbraw/zinc/26/05/76/171260576.db2.gz ALUFWDFKFZKRSR-NSHDSACASA-N 1 0 268.430 2.394 10 0 CEAERO CC(C)(C)[NH2+]Cc1cc(Cl)ccc1OCC(N)=O ZINC000020873288 171277473 /nfs/dbraw/zinc/27/74/73/171277473.db2.gz KCOUZAJGFGBCAD-UHFFFAOYSA-N 1 0 270.760 2.092 10 0 CEAERO Cc1cc(F)ccc1C[N@H+]1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000284737953 196120932 /nfs/dbraw/zinc/12/09/32/196120932.db2.gz KTPWPEQSYMHQNB-CVEARBPZSA-N 1 0 278.371 2.039 10 0 CEAERO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCCC[C@@H]2C)c(N)c1 ZINC000022154579 171361415 /nfs/dbraw/zinc/36/14/15/171361415.db2.gz SJMBQEFRUYNBCT-RYUDHWBXSA-N 1 0 291.395 2.479 10 0 CEAERO COc1ccc(N)cc1NC(=O)C[NH+]1[C@H](C)CCC[C@H]1C ZINC000022167333 171366089 /nfs/dbraw/zinc/36/60/89/171366089.db2.gz XQZXFOFSNFNQMP-VXGBXAGGSA-N 1 0 291.395 2.479 10 0 CEAERO [NH3+]C[C@@H](c1ccc(Br)o1)N1CCCC1 ZINC000022167466 171366315 /nfs/dbraw/zinc/36/63/15/171366315.db2.gz UTCSZVLANVZLNR-QMMMGPOBSA-N 1 0 259.147 2.138 10 0 CEAERO COc1ccc(NC(=O)C[N@H+]2[C@H](C)CCC[C@@H]2C)c(N)c1 ZINC000022171265 171368130 /nfs/dbraw/zinc/36/81/30/171368130.db2.gz SEILEWMRUXDACY-TXEJJXNPSA-N 1 0 291.395 2.479 10 0 CEAERO [NH3+]C[C@@H](c1cccnc1)N1CCc2sccc2C1 ZINC000022210399 171372832 /nfs/dbraw/zinc/37/28/32/171372832.db2.gz HLNJZAZDPULUKQ-ZDUSSCGKSA-N 1 0 259.378 2.201 10 0 CEAERO C[C@H]1CN([C@@H](C[NH3+])c2ccc(Cl)cc2)CCO1 ZINC000022209332 171373073 /nfs/dbraw/zinc/37/30/73/171373073.db2.gz VWCAGFUOIYPCHX-GWCFXTLKSA-N 1 0 254.761 2.061 10 0 CEAERO CCN(CC)C(=O)COc1ccc(CC[C@H](C)[NH3+])cc1 ZINC000022217203 171375835 /nfs/dbraw/zinc/37/58/35/171375835.db2.gz GGYUBJQVDTUZRW-ZDUSSCGKSA-N 1 0 278.396 2.214 10 0 CEAERO C[NH+](C)CCC(=O)Nc1c(Cl)cc(N)cc1Cl ZINC000022218001 171376398 /nfs/dbraw/zinc/37/63/98/171376398.db2.gz ICSATGQJILJSNS-UHFFFAOYSA-N 1 0 276.167 2.466 10 0 CEAERO Cc1ccc(O[C@@H]2CC3(CC[C@@H]2[NH3+])OCCO3)c(C)c1 ZINC000023067869 171408903 /nfs/dbraw/zinc/40/89/03/171408903.db2.gz GORUZHHVVLWMQF-DZGCQCFKSA-N 1 0 277.364 2.305 10 0 CEAERO Cc1sc2[nH]c(C[NH2+]CC(C)C)nc(=O)c2c1C ZINC000031934605 171664242 /nfs/dbraw/zinc/66/42/42/171664242.db2.gz SFUBRSDQTRNEGT-UHFFFAOYSA-N 1 0 265.382 2.347 10 0 CEAERO C[NH2+][C@@H]1c2ccc(OC)cc2CC[C@H]1N1CCCC1 ZINC000034303973 171836573 /nfs/dbraw/zinc/83/65/73/171836573.db2.gz DAJLKZCZYBMSDJ-HZPDHXFCSA-N 1 0 260.381 2.366 10 0 CEAERO CCCNC(=O)[C@H](C)Oc1cccc(C[NH2+]CC)c1 ZINC000034816239 171869647 /nfs/dbraw/zinc/86/96/47/171869647.db2.gz BTBBRICEIUCSQP-LBPRGKRZSA-N 1 0 264.369 2.090 10 0 CEAERO CCN(CC)C(=O)c1cc(NCC[NH+](CC)CC)ccn1 ZINC000035121212 171990984 /nfs/dbraw/zinc/99/09/84/171990984.db2.gz XTAPAMGKXUCNAX-UHFFFAOYSA-N 1 0 292.427 2.317 10 0 CEAERO COc1ccc(CC[NH2+]C[C@@H]2CCCCO2)cc1OC ZINC000035151112 172014709 /nfs/dbraw/zinc/01/47/09/172014709.db2.gz IDUOZXFMKBASAV-AWEZNQCLSA-N 1 0 279.380 2.405 10 0 CEAERO CCN(CC)C(=O)[C@H](C)[NH2+][C@H]1CCOc2ccccc21 ZINC000035224769 172069584 /nfs/dbraw/zinc/06/95/84/172069584.db2.gz AWVGXLANOGNAPP-JSGCOSHPSA-N 1 0 276.380 2.357 10 0 CEAERO CC(C)(C)[C@@H]([NH3+])c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000035411239 172183016 /nfs/dbraw/zinc/18/30/16/172183016.db2.gz FINVKIUIORHPCE-LBPRGKRZSA-N 1 0 261.325 2.380 10 0 CEAERO C[NH2+][C@H](c1cccs1)c1ccc(S(C)(=O)=O)cc1 ZINC000035488180 172223128 /nfs/dbraw/zinc/22/31/28/172223128.db2.gz AZCVBBZXPDSLEZ-ZDUSSCGKSA-N 1 0 281.402 2.460 10 0 CEAERO C[NH2+][C@H](c1ccccc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000035488413 172223241 /nfs/dbraw/zinc/22/32/41/172223241.db2.gz VOVDOBLSVGRWMM-CQSZACIVSA-N 1 0 253.305 2.165 10 0 CEAERO CC[NH2+][C@@H](Cc1ccccc1OC)c1cnn(C)c1 ZINC000035555629 172262022 /nfs/dbraw/zinc/26/20/22/172262022.db2.gz GPYLVXFDZJFLTM-AWEZNQCLSA-N 1 0 259.353 2.322 10 0 CEAERO CC[NH2+][C@H](Cc1ccc(OC)cc1)c1cnn(C)c1 ZINC000035556209 172262867 /nfs/dbraw/zinc/26/28/67/172262867.db2.gz IENLRRXQWJLVPA-OAHLLOKOSA-N 1 0 259.353 2.322 10 0 CEAERO Cc1ccc(OCC(=O)N2CCCC2)c([C@H](C)[NH3+])c1 ZINC000035629457 172309806 /nfs/dbraw/zinc/30/98/06/172309806.db2.gz AZDIDOADELDUEA-LBPRGKRZSA-N 1 0 262.353 2.016 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC000035632795 172315507 /nfs/dbraw/zinc/31/55/07/172315507.db2.gz SBCFBVGJEJAPOY-JTQLQIEISA-N 1 0 270.398 2.044 10 0 CEAERO CC(C)[NH2+]C[C@@H](O)CSc1cc(F)ccc1F ZINC000035676329 172346773 /nfs/dbraw/zinc/34/67/73/172346773.db2.gz ZTMTVHANYAOQMB-SNVBAGLBSA-N 1 0 261.337 2.416 10 0 CEAERO Cn1nnnc1S[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C[NH3+] ZINC000035722760 172378050 /nfs/dbraw/zinc/37/80/50/172378050.db2.gz KSUPTWIFBKLCIR-OUAUKWLOSA-N 1 0 283.445 2.092 10 0 CEAERO CC[C@@H](CC[NH3+])Sc1nnc2n1CCCCC2 ZINC000035723906 172379288 /nfs/dbraw/zinc/37/92/88/172379288.db2.gz ZHHQUDDRRDJNJJ-JTQLQIEISA-N 1 0 254.403 2.224 10 0 CEAERO CN(CCCc1ccccc1)C(=O)C1CC[NH2+]CC1 ZINC000036199993 172511826 /nfs/dbraw/zinc/51/18/26/172511826.db2.gz LPRZCJIGFSXNOJ-UHFFFAOYSA-N 1 0 260.381 2.077 10 0 CEAERO CC[C@H]1COCCN1[C@@H](C[NH3+])c1cc(F)ccc1F ZINC000036325931 172610039 /nfs/dbraw/zinc/61/00/39/172610039.db2.gz NGBBYXMAHPSIMC-FZMZJTMJSA-N 1 0 270.323 2.075 10 0 CEAERO CC[NH2+]C[C@@H](O)CSc1ccc(C(F)(F)F)cn1 ZINC000036951371 172824855 /nfs/dbraw/zinc/82/48/55/172824855.db2.gz PWJPAKSZXHAJRK-SECBINFHSA-N 1 0 280.315 2.163 10 0 CEAERO [NH3+]CCSCc1csc(-c2ccccn2)n1 ZINC000037035770 172903890 /nfs/dbraw/zinc/90/38/90/172903890.db2.gz QEOXUXHJERELSB-UHFFFAOYSA-N 1 0 251.380 2.397 10 0 CEAERO C[N@H+](CCCn1cc(N)ccc1=O)C1CCCCC1 ZINC000037065160 172928422 /nfs/dbraw/zinc/92/84/22/172928422.db2.gz BKBGDECBMBBJTA-UHFFFAOYSA-N 1 0 263.385 2.085 10 0 CEAERO CC[NH+](CC)CCN[C@@H]1CCOc2ccc(OC)cc21 ZINC000037202081 173026074 /nfs/dbraw/zinc/02/60/74/173026074.db2.gz ZTAIQBYTNGDKIN-OAHLLOKOSA-N 1 0 278.396 2.450 10 0 CEAERO CC(=O)NCC[NH2+][C@@H](CC(F)(F)F)c1ccccc1 ZINC000037235803 173054572 /nfs/dbraw/zinc/05/45/72/173054572.db2.gz AMWVWZJRZXKVDX-LBPRGKRZSA-N 1 0 274.286 2.406 10 0 CEAERO COc1nc2sccn2c1C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000037242481 173058696 /nfs/dbraw/zinc/05/86/96/173058696.db2.gz SJZABVOFENODPP-GXSJLCMTSA-N 1 0 281.381 2.062 10 0 CEAERO CC(C)c1nn(C)cc1C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000037243013 173058843 /nfs/dbraw/zinc/05/88/43/173058843.db2.gz BYDRHDLIPZNENJ-YPMHNXCESA-N 1 0 251.374 2.201 10 0 CEAERO CNC(=O)C[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000037254079 173065646 /nfs/dbraw/zinc/06/56/46/173065646.db2.gz CTOMQNHVUXQVNF-JTQLQIEISA-N 1 0 270.785 2.213 10 0 CEAERO CC[C@@H]([NH2+][C@@H](C)C(N)=O)c1cccc(Br)c1 ZINC000037261419 173071022 /nfs/dbraw/zinc/07/10/22/173071022.db2.gz RMFQZYFQZZTOHW-GZMMTYOYSA-N 1 0 285.185 2.364 10 0 CEAERO CC(C)NC(=O)C[NH2+][C@@H]1CSCc2ccccc21 ZINC000037262856 173072285 /nfs/dbraw/zinc/07/22/85/173072285.db2.gz PPZICLWCFCZSGK-CYBMUJFWSA-N 1 0 264.394 2.089 10 0 CEAERO CCNC(=O)[C@H](C)[NH2+][C@H]1CSCc2ccccc21 ZINC000037268757 173080531 /nfs/dbraw/zinc/08/05/31/173080531.db2.gz KERLFNVHDUNGSK-GWCFXTLKSA-N 1 0 264.394 2.089 10 0 CEAERO CO[C@H]1CCCC[C@H]1[NH2+][C@@H](CC(C)C)C(=O)N(C)C ZINC000037272987 173084499 /nfs/dbraw/zinc/08/44/99/173084499.db2.gz GEGQYIZFRPYNCZ-RDBSUJKOSA-N 1 0 270.417 2.037 10 0 CEAERO CC[N@@H+](CC(=O)Nc1ccc(C)cc1N)CC(C)C ZINC000037273442 173085364 /nfs/dbraw/zinc/08/53/64/173085364.db2.gz KXPZPQRPMDDXOE-UHFFFAOYSA-N 1 0 263.385 2.494 10 0 CEAERO COc1ccc(NC(=O)[C@H]([NH3+])Cc2ccccc2)cc1F ZINC000037290842 173096342 /nfs/dbraw/zinc/09/63/42/173096342.db2.gz GJROIPCXVAXHOO-CQSZACIVSA-N 1 0 288.322 2.343 10 0 CEAERO COc1ccc(N(CCC[NH3+])C(=O)C2CCC2)cc1 ZINC000037298107 173101925 /nfs/dbraw/zinc/10/19/25/173101925.db2.gz ITCFFAOMHUSZRB-UHFFFAOYSA-N 1 0 262.353 2.177 10 0 CEAERO CCN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1scnc1C ZINC000037315829 173116466 /nfs/dbraw/zinc/11/64/66/173116466.db2.gz JCMKMPCUSZTCTJ-QWRGUYRKSA-N 1 0 269.414 2.359 10 0 CEAERO CN(C)c1ccc(C(=O)Nc2ccc(C[NH3+])cc2)cc1 ZINC000037328262 173128929 /nfs/dbraw/zinc/12/89/29/173128929.db2.gz HGAGVJHXGIAQHG-UHFFFAOYSA-N 1 0 269.348 2.464 10 0 CEAERO [NH3+][C@H](c1ccc2c(c1)CCCC(=O)N2)[C@@H]1CCCO1 ZINC000037371265 173160097 /nfs/dbraw/zinc/16/00/97/173160097.db2.gz BUDRZFXYHQFPGC-DZGCQCFKSA-N 1 0 260.337 2.140 10 0 CEAERO CC(C)[NH2+]C[C@H](O)CSc1ccc(F)c(F)c1 ZINC000037380891 173166892 /nfs/dbraw/zinc/16/68/92/173166892.db2.gz OVRGDQORNCNUGC-VIFPVBQESA-N 1 0 261.337 2.416 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000037386308 173168938 /nfs/dbraw/zinc/16/89/38/173168938.db2.gz ZWGSIHHMMJRXMF-IKMFHRHGSA-N 1 0 264.413 2.460 10 0 CEAERO Cc1ccc(CN(C)C(=O)C[NH2+]C2CCCC2)cc1 ZINC000037386791 173169685 /nfs/dbraw/zinc/16/96/85/173169685.db2.gz QKKNXBIQGHESJQ-UHFFFAOYSA-N 1 0 260.381 2.486 10 0 CEAERO CC(C)[NH2+]CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000037388713 173172682 /nfs/dbraw/zinc/17/26/82/173172682.db2.gz QKCYEQOEWBUFQO-UHFFFAOYSA-N 1 0 261.369 2.223 10 0 CEAERO C[C@@H]1CCCC[N@@H+]1CCCNCC(=O)OC(C)(C)C ZINC000037394406 173174201 /nfs/dbraw/zinc/17/42/01/173174201.db2.gz CBALVYKDPHURNT-CYBMUJFWSA-N 1 0 270.417 2.182 10 0 CEAERO C[C@@H]([NH3+])Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000037450072 173217007 /nfs/dbraw/zinc/21/70/07/173217007.db2.gz DHZSGSHJYMFKGD-RXMQYKEDSA-N 1 0 278.665 2.291 10 0 CEAERO CC(C)[C@H](C)N(C)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000037504734 173240103 /nfs/dbraw/zinc/24/01/03/173240103.db2.gz ZXCLKDBNYCUKIH-XUXIUFHCSA-N 1 0 252.402 2.410 10 0 CEAERO COC(=O)CCCOc1ccc(Cl)cc1CC[NH3+] ZINC000037721068 173639244 /nfs/dbraw/zinc/63/92/44/173639244.db2.gz IYINEAKFLOGAQD-UHFFFAOYSA-N 1 0 271.744 2.173 10 0 CEAERO CC(C)[NH2+]CCC(=O)N[C@@H](C)c1ccccc1F ZINC000037764247 173691364 /nfs/dbraw/zinc/69/13/64/173691364.db2.gz IAUUDWXFYJHDPW-NSHDSACASA-N 1 0 252.333 2.391 10 0 CEAERO CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)c1ccccc1F ZINC000037764209 173691520 /nfs/dbraw/zinc/69/15/20/173691520.db2.gz AKDGYLWDZOPJPL-GWCFXTLKSA-N 1 0 252.333 2.376 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)N[C@@H](C)c1cccc(OC)c1 ZINC000037765134 173692770 /nfs/dbraw/zinc/69/27/70/173692770.db2.gz KMUBANSOSATWGN-RYUDHWBXSA-N 1 0 264.369 2.261 10 0 CEAERO C[NH2+]CCCC(=O)N1CC=C(c2ccccc2)CC1 ZINC000037804750 173745477 /nfs/dbraw/zinc/74/54/77/173745477.db2.gz DKMGNEHDZNUGCW-UHFFFAOYSA-N 1 0 258.365 2.302 10 0 CEAERO CC(C)CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000037915833 173849999 /nfs/dbraw/zinc/84/99/99/173849999.db2.gz QGOJGOWGJHAZJW-ZIAGYGMSSA-N 1 0 252.402 2.413 10 0 CEAERO CCOC(=O)C1(NCC(C)C)CC[NH+](C(C)C)CC1 ZINC000037966084 173911834 /nfs/dbraw/zinc/91/18/34/173911834.db2.gz OMJDWTACOJJFSN-UHFFFAOYSA-N 1 0 270.417 2.038 10 0 CEAERO NC(=O)[C@@H]([NH2+]C1CCCCC1)c1ccccc1F ZINC000037969824 173919228 /nfs/dbraw/zinc/91/92/28/173919228.db2.gz GNXWVFYCLKRXFF-ZDUSSCGKSA-N 1 0 250.317 2.274 10 0 CEAERO O[C@@H](C[NH2+]C[C@H]1CCCOC1)COc1cccc(Cl)c1 ZINC000038045363 174054036 /nfs/dbraw/zinc/05/40/36/174054036.db2.gz AFXVJDCERHOLQF-OCCSQVGLSA-N 1 0 299.798 2.096 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1cc(Cl)ccc1O ZINC000038049214 174059779 /nfs/dbraw/zinc/05/97/79/174059779.db2.gz ZGURLHBPHUAZQU-GHMZBOCLSA-N 1 0 268.744 2.045 10 0 CEAERO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH3+])c1ccccc1 ZINC000038049360 174060488 /nfs/dbraw/zinc/06/04/88/174060488.db2.gz YHZRMDQAGSLGIZ-ZIAGYGMSSA-N 1 0 260.381 2.350 10 0 CEAERO COc1ccccc1CN(C)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000038059158 174069629 /nfs/dbraw/zinc/06/96/29/174069629.db2.gz TYUFQFHWOQIRKH-MRXNPFEDSA-N 1 0 284.359 2.354 10 0 CEAERO CCOc1ccccc1[C@@](C)([NH2+][C@@H](C)CC)C(N)=O ZINC000038065587 174076928 /nfs/dbraw/zinc/07/69/28/174076928.db2.gz UPFQYDLVOXVWDJ-XHDPSFHLSA-N 1 0 264.369 2.174 10 0 CEAERO CC[C@H](C)[NH2+][C@@](C)(C(N)=O)c1ccccc1Cl ZINC000038065627 174077198 /nfs/dbraw/zinc/07/71/98/174077198.db2.gz VOJXTSNETIJGQY-TVQRCGJNSA-N 1 0 254.761 2.429 10 0 CEAERO C[NH+]1CCC(O)(c2ccc(Br)cc2)CC1 ZINC000039153648 174164230 /nfs/dbraw/zinc/16/42/30/174164230.db2.gz GQPLQVMAOCKIHC-UHFFFAOYSA-N 1 0 270.170 2.362 10 0 CEAERO [NH3+][C@H](Cc1ccccc1)C(=O)Nc1cccc(F)c1F ZINC000040230996 174210226 /nfs/dbraw/zinc/21/02/26/174210226.db2.gz BLDOSECAVBIZBO-GFCCVEGCSA-N 1 0 276.286 2.473 10 0 CEAERO CSCC[C@H]([NH3+])C(=O)N1CCC[C@H]1c1cccs1 ZINC000040464462 174274040 /nfs/dbraw/zinc/27/40/40/174274040.db2.gz HKMKHWDSBLOIEF-QWRGUYRKSA-N 1 0 284.450 2.492 10 0 CEAERO CSCC[C@H]([NH3+])C(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000040467332 174275820 /nfs/dbraw/zinc/27/58/20/174275820.db2.gz YRQXMLNHKATVIY-WOPDTQHZSA-N 1 0 258.431 2.104 10 0 CEAERO COc1ccc([C@@H](C)NC(=O)[C@H]([NH3+])CC(C)C)cc1OC ZINC000040491246 174292187 /nfs/dbraw/zinc/29/21/87/174292187.db2.gz DWENHOSOFFVQCX-DGCLKSJQSA-N 1 0 294.395 2.254 10 0 CEAERO [NH3+][C@@H](CC(=O)Nc1cccc(O)c1)c1ccccc1 ZINC000040495343 174294351 /nfs/dbraw/zinc/29/43/51/174294351.db2.gz QLQNRFNWGKNTMJ-AWEZNQCLSA-N 1 0 256.305 2.421 10 0 CEAERO COC(=O)C[C@H](C)[NH2+][C@@H](C)COc1ccc(C)cc1 ZINC000040499737 174296687 /nfs/dbraw/zinc/29/66/87/174296687.db2.gz XGKHRIXCUMBWAQ-STQMWFEESA-N 1 0 265.353 2.304 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(N)ccc2Cl)C1 ZINC000040501632 174298203 /nfs/dbraw/zinc/29/82/03/174298203.db2.gz NVISTZRYWPNJKI-NSHDSACASA-N 1 0 281.787 2.136 10 0 CEAERO CCN1CCC[C@H]([NH2+]Cc2cccc3c2OCCO3)C1 ZINC000040502661 174299232 /nfs/dbraw/zinc/29/92/32/174299232.db2.gz YGMXGEQTAIRYQB-AWEZNQCLSA-N 1 0 276.380 2.032 10 0 CEAERO CC[N@@H+]1CCC[C@H](Nc2cc3ccccc3c(=O)[nH]2)C1 ZINC000040503115 174299856 /nfs/dbraw/zinc/29/98/56/174299856.db2.gz VJTHTJMKJLYXJK-ZDUSSCGKSA-N 1 0 271.364 2.424 10 0 CEAERO CCCCOCC[NH2+]C[C@H](O)CO[C@@H](C)CC(C)C ZINC000040507171 174302966 /nfs/dbraw/zinc/30/29/66/174302966.db2.gz FLHIGXFEWXZXNW-GJZGRUSLSA-N 1 0 275.433 2.205 10 0 CEAERO CC[N@@H+]1CC[C@@H](CNc2nc(C)cc(C)c2C(N)=S)C1 ZINC000040514882 174306352 /nfs/dbraw/zinc/30/63/52/174306352.db2.gz KUFXNIRKOTUMNH-LBPRGKRZSA-N 1 0 292.452 2.086 10 0 CEAERO Cc1ncsc1CCOc1nc(C)cc(C)c1C(N)=[NH2+] ZINC000040515202 174306469 /nfs/dbraw/zinc/30/64/69/174306469.db2.gz JFJQSKGRMFMXDN-UHFFFAOYSA-N 1 0 290.392 2.369 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@H](C)c1sc(C)nc1C ZINC000040519102 174308384 /nfs/dbraw/zinc/30/83/84/174308384.db2.gz UQULMPPOCQELNV-SCZZXKLOSA-N 1 0 255.387 2.065 10 0 CEAERO Cc1nc(C)c([C@H](C)NC(=O)[C@H]([NH3+])CC(C)C)s1 ZINC000040519047 174308447 /nfs/dbraw/zinc/30/84/47/174308447.db2.gz NEGDLFVDFPDMOG-GXSJLCMTSA-N 1 0 269.414 2.311 10 0 CEAERO CN(C)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCCC1 ZINC000040614484 174353458 /nfs/dbraw/zinc/35/34/58/174353458.db2.gz AJTCPDZXZONSRV-CYBMUJFWSA-N 1 0 279.384 2.468 10 0 CEAERO CO[C@H]1C[NH2+][C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000040630287 174357803 /nfs/dbraw/zinc/35/78/03/174357803.db2.gz SZVGOPNOSPEPJS-KCJUWKMLSA-N 1 0 289.162 2.309 10 0 CEAERO CO[C@H]1C[NH2+][C@H](C(=O)N(C)Cc2ccc(C(C)C)cc2)C1 ZINC000040635093 174360710 /nfs/dbraw/zinc/36/07/10/174360710.db2.gz AMNGRWXICFJVKI-CVEARBPZSA-N 1 0 290.407 2.145 10 0 CEAERO CCN(C(=O)[C@@H]1C[C@H](OC)C[NH2+]1)[C@@H](C)c1ccc(F)cc1 ZINC000040635950 174361386 /nfs/dbraw/zinc/36/13/86/174361386.db2.gz STBWAAHGVABIAI-CQDKDKBSSA-N 1 0 294.370 2.112 10 0 CEAERO CO[C@@H]1C[NH2+][C@@H](CN(Cc2ccccc2)C(C)C)C1 ZINC000040637329 174361797 /nfs/dbraw/zinc/36/17/97/174361797.db2.gz NLEXTQRVCYFBKJ-CVEARBPZSA-N 1 0 262.397 2.274 10 0 CEAERO COc1ccccc1[C@@H](C)[NH2+]CCc1nccn1C ZINC000040638674 174362876 /nfs/dbraw/zinc/36/28/76/174362876.db2.gz LIFWYIMXKFCRDD-GFCCVEGCSA-N 1 0 259.353 2.322 10 0 CEAERO COc1ccc(C)cc1Nc1nc[nH+]c(NN(C)C)c1N ZINC000040684288 174375068 /nfs/dbraw/zinc/37/50/68/174375068.db2.gz WFRNFZOGOGRRLA-UHFFFAOYSA-N 1 0 288.355 2.008 10 0 CEAERO CCCn1c2ccc(Cl)cc2nc1[C@H]([NH3+])CCO ZINC000040710312 174380900 /nfs/dbraw/zinc/38/09/00/174380900.db2.gz DODIVJNPJDDROI-SNVBAGLBSA-N 1 0 267.760 2.482 10 0 CEAERO C[C@H]1CCN([C@@H](C[NH3+])c2cc3c(c(Cl)c2)OCO3)C1 ZINC000040717375 174384922 /nfs/dbraw/zinc/38/49/22/174384922.db2.gz AKWVKKIQOAVUEG-CABZTGNLSA-N 1 0 282.771 2.410 10 0 CEAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N2CC[C@@H](C)C2)cc1 ZINC000040725544 174386976 /nfs/dbraw/zinc/38/69/76/174386976.db2.gz HPACPJRWHZTAHR-CYBMUJFWSA-N 1 0 296.436 2.215 10 0 CEAERO Cc1nn(C[C@@H]([NH3+])c2ccc3c(c2)OCCO3)c(C)c1C ZINC000040729756 174388143 /nfs/dbraw/zinc/38/81/43/174388143.db2.gz OZVYPVIWSIZMJL-CQSZACIVSA-N 1 0 287.363 2.280 10 0 CEAERO CCN(Cc1occc1C(=O)OC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748343 174393134 /nfs/dbraw/zinc/39/31/34/174393134.db2.gz RVLVWROHZMIFLU-FUNVUKJBSA-N 1 0 292.379 2.171 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)c(F)c1 ZINC000040749675 174394396 /nfs/dbraw/zinc/39/43/96/174394396.db2.gz ZSMVIVBMYDHVPY-FGWVZKOKSA-N 1 0 266.291 2.059 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1noc(-c2ccsc2)n1 ZINC000040750212 174395349 /nfs/dbraw/zinc/39/53/49/174395349.db2.gz XKIGLHCAWMWICA-YOGCLGLASA-N 1 0 290.392 2.252 10 0 CEAERO COc1ccc([C@H](NC(=O)[C@@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000040856034 174423518 /nfs/dbraw/zinc/42/35/18/174423518.db2.gz GHHIRLCCCKIQSS-LSDHHAIUSA-N 1 0 274.364 2.015 10 0 CEAERO COCCCOc1cc(OC)ccc1C[C@@H](C)[NH3+] ZINC000040905249 174430660 /nfs/dbraw/zinc/43/06/60/174430660.db2.gz RJVFXHZGQIBBJV-LLVKDONJSA-N 1 0 253.342 2.000 10 0 CEAERO CCCN(c1nc(C)cc(C(C)C)n1)[C@@H]1CC[NH2+]C1 ZINC000122565231 414788642 /nfs/dbraw/zinc/78/86/42/414788642.db2.gz JVPYFMDOWLAOMD-CYBMUJFWSA-N 1 0 262.401 2.487 10 0 CEAERO CC[N@H+](C[C@H](O)COCc1ccccc1)[C@@H]1CCCOC1 ZINC000402702836 414757706 /nfs/dbraw/zinc/75/77/06/414757706.db2.gz PIYNDSOMMJIYJZ-SJORKVTESA-N 1 0 293.407 2.065 10 0 CEAERO COc1ccc(C[NH2+][C@H]2CCC[C@H](O)C2)c(F)c1 ZINC000404594072 414789244 /nfs/dbraw/zinc/78/92/44/414789244.db2.gz OIGUFTIGAMXPHF-RYUDHWBXSA-N 1 0 253.317 2.227 10 0 CEAERO C[NH2+]C1CCC(NC(=O)Nc2cccc(OC)c2)CC1 ZINC000041093162 174477878 /nfs/dbraw/zinc/47/78/78/174477878.db2.gz AGSAZROETDDDKN-UHFFFAOYSA-N 1 0 277.368 2.347 10 0 CEAERO COc1cccc(NC(=O)N[C@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000041093207 174477939 /nfs/dbraw/zinc/47/79/39/174477939.db2.gz XUFWTOJQACQLIX-RISCZKNCSA-N 1 0 277.368 2.347 10 0 CEAERO O=C1CC2(CCCC2)CC(=O)N1[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000041156960 174500634 /nfs/dbraw/zinc/50/06/34/174500634.db2.gz BEZWIRVYWXKVMC-ZDUSSCGKSA-N 1 0 290.407 2.371 10 0 CEAERO CC[C@@H]1CN(c2cnc3ccccc3n2)CC[C@@H]1[NH3+] ZINC000123012869 414792568 /nfs/dbraw/zinc/79/25/68/414792568.db2.gz SYIHJGJOVZIUKE-NEPJUHHUSA-N 1 0 256.353 2.193 10 0 CEAERO Cc1cc(C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)c(C)s1 ZINC000662977857 414816967 /nfs/dbraw/zinc/81/69/67/414816967.db2.gz MQACQOLCCHNAID-VIFPVBQESA-N 1 0 280.315 2.327 10 0 CEAERO C[C@@H]([NH3+])[C@@H](C)C(=O)N[C@@H](C)c1cc(F)ccc1F ZINC000133856943 414829576 /nfs/dbraw/zinc/82/95/76/414829576.db2.gz FNMMJDSMMCHNTC-HLTSFMKQSA-N 1 0 256.296 2.125 10 0 CEAERO CSc1cccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)c1 ZINC000660480379 414841858 /nfs/dbraw/zinc/84/18/58/414841858.db2.gz UCQZANDADWTRTM-GXFFZTMASA-N 1 0 264.394 2.165 10 0 CEAERO Cc1c[nH]c(CN[C@H](C[NH+](C)C)c2ccccc2)n1 ZINC000657298022 414843245 /nfs/dbraw/zinc/84/32/45/414843245.db2.gz SEIBZRSDVLDRRO-CQSZACIVSA-N 1 0 258.369 2.111 10 0 CEAERO Cc1occc1CN(C)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000310872672 414858105 /nfs/dbraw/zinc/85/81/05/414858105.db2.gz UNAXPEGMBNXLSY-CYBMUJFWSA-N 1 0 250.342 2.079 10 0 CEAERO C[C@@H](Cc1c(F)cccc1F)NC(=O)C[C@H]1CCC[NH2+]1 ZINC000042168310 174650030 /nfs/dbraw/zinc/65/00/30/174650030.db2.gz BASZTYLRISJNQR-WDEREUQCSA-N 1 0 282.334 2.154 10 0 CEAERO CC(C)CCC[C@H](C)[NH2+][C@@H](C)C(=O)N1CCOCC1 ZINC000042259781 174668288 /nfs/dbraw/zinc/66/82/88/174668288.db2.gz WLNWDROFBSJMPO-KBPBESRZSA-N 1 0 270.417 2.038 10 0 CEAERO Cc1ccc(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)cc1 ZINC000653057477 414892588 /nfs/dbraw/zinc/89/25/88/414892588.db2.gz DBBDJPYUVMIWIP-VXGBXAGGSA-N 1 0 286.297 2.009 10 0 CEAERO CCCc1nccnc1N(C)CC[C@@H]([NH3+])C(C)C ZINC000663271517 414900438 /nfs/dbraw/zinc/90/04/38/414900438.db2.gz DALPDMBAPMUWBB-GFCCVEGCSA-N 1 0 250.390 2.239 10 0 CEAERO CC1(C)CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CC1 ZINC000653085740 414901262 /nfs/dbraw/zinc/90/12/62/414901262.db2.gz WRDDYTDYFOOQLU-NXEZZACHSA-N 1 0 278.318 2.033 10 0 CEAERO Cc1cc(C)c(C(N)=[NH2+])c(N(CCO)C2CCCCC2)n1 ZINC000042508038 174763346 /nfs/dbraw/zinc/76/33/46/174763346.db2.gz PBEOUGCFCRGNNB-UHFFFAOYSA-N 1 0 290.411 2.114 10 0 CEAERO CCC[C@@H](C)N(C)C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653447238 414997595 /nfs/dbraw/zinc/99/75/95/414997595.db2.gz SRYPMADGBXJGOZ-OPRDCNLKSA-N 1 0 266.307 2.031 10 0 CEAERO CC(C)[C@@H](C[NH2+]C[C@@H]1CC(=O)N(C)C1)c1ccccc1 ZINC000657694785 415050799 /nfs/dbraw/zinc/05/07/99/415050799.db2.gz GKPWKFJIPRQPBC-GOEBONIOSA-N 1 0 274.408 2.494 10 0 CEAERO CCN([C@H](C)COC)[C@@H](C[NH3+])c1cccc(OC)c1OC ZINC000042743275 174863818 /nfs/dbraw/zinc/86/38/18/174863818.db2.gz AMBFFUIYXKSYJH-OCCSQVGLSA-N 1 0 296.411 2.060 10 0 CEAERO COc1c(C[NH2+]CCCOC(C)(C)C)c(C)nn1C ZINC000657638137 415034312 /nfs/dbraw/zinc/03/43/12/415034312.db2.gz QPENYHLBUSOIRZ-UHFFFAOYSA-N 1 0 269.389 2.032 10 0 CEAERO C[C@H]([NH3+])[C@H](Oc1ccc(C(N)=O)cc1)c1ccc(F)cc1 ZINC000042916765 174916887 /nfs/dbraw/zinc/91/68/87/174916887.db2.gz IYJVGQZKQCKVPF-BONVTDFDSA-N 1 0 288.322 2.392 10 0 CEAERO COc1cccc([C@@H]([C@@H](C)[NH3+])n2nc(C)cc2C)c1 ZINC000043028797 174948386 /nfs/dbraw/zinc/94/83/86/174948386.db2.gz LQIXFBBPGYQKTF-IUODEOHRSA-N 1 0 259.353 2.445 10 0 CEAERO C[C@H]([NH3+])[C@@H](Oc1ccc(C(N)=O)cc1)c1cccs1 ZINC000043110457 174973975 /nfs/dbraw/zinc/97/39/75/174973975.db2.gz NBDOOAHJFDTMNX-TVQRCGJNSA-N 1 0 276.361 2.314 10 0 CEAERO [NH3+][C@H](c1ccc2ccccc2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043299874 175000271 /nfs/dbraw/zinc/00/02/71/175000271.db2.gz KTBGJSFRLUGQEU-HUUCEWRRSA-N 1 0 275.373 2.274 10 0 CEAERO [NH3+][C@H](c1cccc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000043299790 175000579 /nfs/dbraw/zinc/00/05/79/175000579.db2.gz CHNRLMZKUMUGBL-DOMZBBRYSA-N 1 0 275.373 2.274 10 0 CEAERO CCC[NH2+][C@H](c1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043301366 175001916 /nfs/dbraw/zinc/00/19/16/175001916.db2.gz POVJDMFXHUGOIZ-DZGCQCFKSA-N 1 0 297.420 2.171 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043301291 175001950 /nfs/dbraw/zinc/00/19/50/175001950.db2.gz BMGZEKUNDXSTMW-CABCVRRESA-N 1 0 281.421 2.032 10 0 CEAERO CCC[NH2+][C@H](C(CC)CC)[C@H]1CCS(=O)(=O)C1 ZINC000043301313 175002152 /nfs/dbraw/zinc/00/21/52/175002152.db2.gz LVLBDOVAZGOIHK-QWHCGFSZSA-N 1 0 261.431 2.226 10 0 CEAERO Cc1cccc([C@@H](C[NH3+])N(C)C[C@@H]2CCCO2)c1C ZINC000043314843 175004788 /nfs/dbraw/zinc/00/47/88/175004788.db2.gz PELWDQNMOPPJGJ-GOEBONIOSA-N 1 0 262.397 2.414 10 0 CEAERO COc1ccc(Cl)c(NC(=O)[C@H]2CCC[NH2+]C2)c1 ZINC000043318532 175005488 /nfs/dbraw/zinc/00/54/88/175005488.db2.gz GMIRKTGLBNZNSO-VIFPVBQESA-N 1 0 268.744 2.287 10 0 CEAERO CCOC(=O)Nc1ccc(N[C@@H]2CCC[NH2+]C2)cc1 ZINC000043326351 175007574 /nfs/dbraw/zinc/00/75/74/175007574.db2.gz OOFDQFCFUPMVTO-CYBMUJFWSA-N 1 0 263.341 2.419 10 0 CEAERO COc1ccc(O)c(C(=O)N(C)c2ccc(C[NH3+])cc2)c1 ZINC000043327687 175009110 /nfs/dbraw/zinc/00/91/10/175009110.db2.gz FMXHTWYUAGHXBT-UHFFFAOYSA-N 1 0 286.331 2.136 10 0 CEAERO [NH3+]C[C@@H](Oc1ccc2c(c1)CCC(=O)N2)c1ccco1 ZINC000043336621 175012744 /nfs/dbraw/zinc/01/27/44/175012744.db2.gz BEHOZRBGFPWDPN-CQSZACIVSA-N 1 0 272.304 2.243 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccco1)n1nnc(-c2ccccc2)n1 ZINC000043336428 175012758 /nfs/dbraw/zinc/01/27/58/175012758.db2.gz USCCUELLZFMUPM-OCCSQVGLSA-N 1 0 283.335 2.260 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccccn1)N(CC)[C@@H](C)COC ZINC000043341144 175015478 /nfs/dbraw/zinc/01/54/78/175015478.db2.gz YXAZSPDZPKHQRA-YDHLFZDLSA-N 1 0 265.401 2.217 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Oc1ccc(CO)cc1)c1ccccn1 ZINC000043343997 175016315 /nfs/dbraw/zinc/01/63/15/175016315.db2.gz BZRRSZBGQWGLIC-ZBFHGGJFSA-N 1 0 272.348 2.431 10 0 CEAERO CC[C@@H]([NH3+])[C@H](OC1CCOCC1)c1ccccn1 ZINC000043344034 175016362 /nfs/dbraw/zinc/01/63/62/175016362.db2.gz WHWHOTQFLAHBDF-OCCSQVGLSA-N 1 0 250.342 2.056 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1ncccn1)c1ccccn1 ZINC000043344703 175016432 /nfs/dbraw/zinc/01/64/32/175016432.db2.gz GXDGTPJHSGZUPW-JQWIXIFHSA-N 1 0 260.366 2.442 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1cccnc1)N(C)C[C@@H]1CCCCO1 ZINC000043347545 175018086 /nfs/dbraw/zinc/01/80/86/175018086.db2.gz NOWNOIRJQDPEPP-JYJNAYRXSA-N 1 0 277.412 2.361 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1cccnc1)N(CCO)C1CCCCC1 ZINC000043348310 175018651 /nfs/dbraw/zinc/01/86/51/175018651.db2.gz MCRYEQSIWNHFHP-BBRMVZONSA-N 1 0 277.412 2.097 10 0 CEAERO C[C@@H]([NH3+])[C@H](Sc1nncs1)c1cccnc1 ZINC000043352067 175019854 /nfs/dbraw/zinc/01/98/54/175019854.db2.gz MLBDKUXAZMJBES-APPZFPTMSA-N 1 0 252.368 2.114 10 0 CEAERO CCOC(=O)CS[C@@H](c1cccnc1)[C@H]([NH3+])CC ZINC000043352647 175020243 /nfs/dbraw/zinc/02/02/43/175020243.db2.gz VFJWCLGCUAVEEK-YPMHNXCESA-N 1 0 268.382 2.156 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccncc1)N(C)Cc1cccnc1 ZINC000043353486 175020979 /nfs/dbraw/zinc/02/09/79/175020979.db2.gz CIRFVGMYHBDTFV-JKSUJKDBSA-N 1 0 270.380 2.387 10 0 CEAERO [NH3+]C[C@@H](c1ccncc1)N1CCC[C@@H]1c1ccncc1 ZINC000043353654 175021001 /nfs/dbraw/zinc/02/10/01/175021001.db2.gz VHFKOABFMTYVPW-CVEARBPZSA-N 1 0 268.364 2.314 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccncc1)N(C)Cc1cscn1 ZINC000043354855 175022103 /nfs/dbraw/zinc/02/21/03/175022103.db2.gz SCBDDGGDGUZZFW-KBPBESRZSA-N 1 0 276.409 2.449 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccncc1)N(CCO)C1CCCCC1 ZINC000043354615 175022313 /nfs/dbraw/zinc/02/23/13/175022313.db2.gz PAROMTZHMJTHDS-DLBZAZTESA-N 1 0 291.439 2.487 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1nccn1C)c1ccncc1 ZINC000043356405 175023507 /nfs/dbraw/zinc/02/35/07/175023507.db2.gz UBSXJCBLEWCASJ-VXGBXAGGSA-N 1 0 262.382 2.386 10 0 CEAERO Cc1nnc(S[C@H](c2ccncc2)[C@H](C)[NH3+])s1 ZINC000043363501 175024008 /nfs/dbraw/zinc/02/40/08/175024008.db2.gz DFIIIMABHTYKFW-XVKPBYJWSA-N 1 0 266.395 2.422 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1ncccn1)c1ccncc1 ZINC000043363279 175024061 /nfs/dbraw/zinc/02/40/61/175024061.db2.gz WBENPLVEEOZTLR-VXGBXAGGSA-N 1 0 260.366 2.442 10 0 CEAERO CCO[C@@H]1CCCN([C@@H](c2ccc(C)o2)[C@@H](C)[NH3+])C1 ZINC000043365060 175026607 /nfs/dbraw/zinc/02/66/07/175026607.db2.gz YWVLRFZLNSSRBU-UMVBOHGHSA-N 1 0 266.385 2.477 10 0 CEAERO Cc1ccc([C@H]([C@@H](C)[NH3+])n2nnc(-c3ccccc3)n2)o1 ZINC000043365503 175027351 /nfs/dbraw/zinc/02/73/51/175027351.db2.gz LLDNOHOIEOQGNY-RISCZKNCSA-N 1 0 283.335 2.178 10 0 CEAERO Cc1ccc([C@@H](Sc2nnnn2C2CC2)[C@@H](C)[NH3+])o1 ZINC000043367340 175027669 /nfs/dbraw/zinc/02/76/69/175027669.db2.gz BVTALUAVRQMKGM-KCJUWKMLSA-N 1 0 279.369 2.090 10 0 CEAERO C[C@H]([NH3+])[C@H](N(C)Cc1ccsc1)C(F)(F)F ZINC000043377226 175030190 /nfs/dbraw/zinc/03/01/90/175030190.db2.gz AKLLEFRSUODQCT-CBAPKCEASA-N 1 0 252.305 2.458 10 0 CEAERO CC[C@H]([NH3+])[C@@H](N(C)C[C@@H]1CCCCO1)C(F)(F)F ZINC000043378354 175030360 /nfs/dbraw/zinc/03/03/60/175030360.db2.gz UQTLLOSNVRAMQB-GARJFASQSA-N 1 0 268.323 2.156 10 0 CEAERO CC[C@H]([NH3+])[C@H](N(CC)C[C@@H]1CCCO1)C(F)(F)F ZINC000043378375 175030369 /nfs/dbraw/zinc/03/03/69/175030369.db2.gz KUKPVMAAANZKLP-DCAQKATOSA-N 1 0 268.323 2.156 10 0 CEAERO CC[C@H](C)N(CCOC)[C@@H]([C@@H](C)[NH3+])C(F)(F)F ZINC000043379061 175030987 /nfs/dbraw/zinc/03/09/87/175030987.db2.gz SCZWVEISFBCPGG-AEJSXWLSSA-N 1 0 256.312 2.011 10 0 CEAERO CN(Cc1cnn(C)c1)[C@@H](C[NH3+])c1ccc(Cl)c(F)c1 ZINC000043390519 175033685 /nfs/dbraw/zinc/03/36/85/175033685.db2.gz CRJCYIFZEWHOTC-AWEZNQCLSA-N 1 0 296.777 2.344 10 0 CEAERO COCCN(C)[C@@H](C[NH3+])c1ccc(Cl)c(F)c1 ZINC000043390482 175033761 /nfs/dbraw/zinc/03/37/61/175033761.db2.gz AKSGJBIDDZOJKG-LBPRGKRZSA-N 1 0 260.740 2.057 10 0 CEAERO CC[C@H](C)[NH2+][C@H](C(N)=O)c1ccc(Cl)c(F)c1 ZINC000043390931 175034475 /nfs/dbraw/zinc/03/44/75/175034475.db2.gz IPYUOFDBXUNGCR-CPCISQLKSA-N 1 0 258.724 2.394 10 0 CEAERO Cc1ccc(C(N)=S)c(N[C@@H](CC(C)C)C[NH+](C)C)n1 ZINC000043396924 175036758 /nfs/dbraw/zinc/03/67/58/175036758.db2.gz KOZONRGWWKRZSQ-LBPRGKRZSA-N 1 0 294.468 2.412 10 0 CEAERO C[C@@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CCNC1=O ZINC000658052851 415174666 /nfs/dbraw/zinc/17/46/66/415174666.db2.gz PPBLUXLCTJFOFQ-GXTWGEPZSA-N 1 0 260.381 2.221 10 0 CEAERO C[NH2+][C@@H](c1ccccc1)[C@@H](C(C)C)N1CCOCC1 ZINC000043808024 175108966 /nfs/dbraw/zinc/10/89/66/175108966.db2.gz XJLXDMOUMXOJJJ-JKSUJKDBSA-N 1 0 262.397 2.304 10 0 CEAERO CCN(CC)C[C@@H]([NH2+]C)c1ccc2c(c1)OCCO2 ZINC000043808950 175109586 /nfs/dbraw/zinc/10/95/86/175109586.db2.gz XBHDIHHCLFADPB-CYBMUJFWSA-N 1 0 264.369 2.060 10 0 CEAERO C[NH2+][C@@H]1CCC2(C[C@@H]1N(C)Cc1ccccc1)OCCO2 ZINC000043816422 175112218 /nfs/dbraw/zinc/11/22/18/175112218.db2.gz WKRXURFZOBKRRX-CVEARBPZSA-N 1 0 290.407 2.002 10 0 CEAERO CCC[NH2+][C@@H](CN(C)C)c1ccc2c(c1)OCCCO2 ZINC000043816272 175112341 /nfs/dbraw/zinc/11/23/41/175112341.db2.gz LJPKVJOKZJNTMJ-AWEZNQCLSA-N 1 0 278.396 2.450 10 0 CEAERO CCC[NH2+][C@H](CN(C)CC)c1ccc2c(c1)OCO2 ZINC000043820923 175113915 /nfs/dbraw/zinc/11/39/15/175113915.db2.gz SMQAAWYATDZDIK-CYBMUJFWSA-N 1 0 264.369 2.408 10 0 CEAERO C[NH2+][C@H](CN(C)C1CC1)c1ccc(OC)cc1OC ZINC000043822465 175114749 /nfs/dbraw/zinc/11/47/49/175114749.db2.gz ZERIZYPQKUVQSS-CQSZACIVSA-N 1 0 264.369 2.059 10 0 CEAERO CCCN(C(C)C)[C@H]1CC2(CC[C@@H]1[NH2+]CC)OCCO2 ZINC000043885168 175116959 /nfs/dbraw/zinc/11/69/59/175116959.db2.gz BSOAYCIWXKCNGE-GJZGRUSLSA-N 1 0 284.444 2.381 10 0 CEAERO CCCN(C(C)C)[C@@H]1CC2(CC[C@@H]1[NH2+]CC)OCCO2 ZINC000043885166 175117223 /nfs/dbraw/zinc/11/72/23/175117223.db2.gz BSOAYCIWXKCNGE-LSDHHAIUSA-N 1 0 284.444 2.381 10 0 CEAERO CCOc1ccc([C@@H](CN2CCC(OC)CC2)[NH2+]C)cc1 ZINC000043889987 175117460 /nfs/dbraw/zinc/11/74/60/175117460.db2.gz STZJSDNXDPNERD-QGZVFWFLSA-N 1 0 292.423 2.457 10 0 CEAERO CC[NH2+][C@@H](CN1CCOC[C@@H]1C)c1ccccc1C ZINC000043891498 175118345 /nfs/dbraw/zinc/11/83/45/175118345.db2.gz WVDUQHSALBVFLJ-HOCLYGCPSA-N 1 0 262.397 2.366 10 0 CEAERO CCC[NH2+][C@@H](CN1CCOC[C@@H]1C)c1cccc(OC)c1 ZINC000043891831 175118524 /nfs/dbraw/zinc/11/85/24/175118524.db2.gz LRGLKADHKMFGAC-YOEHRIQHSA-N 1 0 292.423 2.457 10 0 CEAERO C[NH2+][C@H]1c2ccccc2C[C@@H]1N(C)Cc1ccccn1 ZINC000043894308 175119109 /nfs/dbraw/zinc/11/91/09/175119109.db2.gz DHXYXHMQQUWLPJ-IRXDYDNUSA-N 1 0 267.376 2.399 10 0 CEAERO C[NH2+][C@H]1c2ccccc2C[C@H]1N(C)CC(F)(F)F ZINC000043900595 175121717 /nfs/dbraw/zinc/12/17/17/175121717.db2.gz MMDJRQZLRDXAMO-NEPJUHHUSA-N 1 0 258.287 2.366 10 0 CEAERO C[NH2+][C@H]1c2ccccc2C[C@H]1N(C)CCc1ccncc1 ZINC000043901918 175121999 /nfs/dbraw/zinc/12/19/99/175121999.db2.gz AMHGWGQYZVBJOQ-MSOLQXFVSA-N 1 0 281.403 2.441 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2OC[C@@H]1N(C)CC1CC1 ZINC000043906174 175122977 /nfs/dbraw/zinc/12/29/77/175122977.db2.gz ZBIOHOGMNYDLND-HOCLYGCPSA-N 1 0 260.381 2.440 10 0 CEAERO CC[NH2+][C@H]1CCOC[C@H]1N(C)Cc1ccc(F)cc1 ZINC000043911289 175123768 /nfs/dbraw/zinc/12/37/68/175123768.db2.gz CVSTZLVWHRLETG-LSDHHAIUSA-N 1 0 266.360 2.025 10 0 CEAERO CCC[NH2+][C@H](CN(CCOC)CCOC)c1ccccc1 ZINC000043912875 175124362 /nfs/dbraw/zinc/12/43/62/175124362.db2.gz FWDWBSYFSJYZCJ-QGZVFWFLSA-N 1 0 294.439 2.322 10 0 CEAERO CC[NH2+][C@H]1CCC2(C[C@H]1N1CCC(CC)CC1)OCCO2 ZINC000043913466 175124468 /nfs/dbraw/zinc/12/44/68/175124468.db2.gz HJVROMHOPHOJFJ-JKSUJKDBSA-N 1 0 296.455 2.382 10 0 CEAERO CC[NH2+][C@@H](c1ccc(OC)cc1)[C@@H](C)N(C)CCOC ZINC000043915966 175125131 /nfs/dbraw/zinc/12/51/31/175125131.db2.gz ZTWWGMKCFOWNHC-CZUORRHYSA-N 1 0 280.412 2.313 10 0 CEAERO C[NH2+][C@H](CN(C)C[C@@H]1CCCO1)c1cccc(OC)c1 ZINC000043965847 175127048 /nfs/dbraw/zinc/12/70/48/175127048.db2.gz YKQOSLLBXRGWAT-JKSUJKDBSA-N 1 0 278.396 2.067 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2OC[C@@H]1N(C)C[C@@H]1CCCO1 ZINC000043966162 175128210 /nfs/dbraw/zinc/12/82/10/175128210.db2.gz QPMMTRBJCOZGSE-QRTARXTBSA-N 1 0 290.407 2.209 10 0 CEAERO CCC[NH2+][C@H]1CCCC[C@H]1N(C)Cc1cnn(C)c1 ZINC000043967324 175128434 /nfs/dbraw/zinc/12/84/34/175128434.db2.gz PZTQQLOSSMHVQQ-LSDHHAIUSA-N 1 0 264.417 2.163 10 0 CEAERO CCC[C@@H]([NH2+]C)[C@H](CC)N(C)Cc1cnn(C)c1 ZINC000043967186 175128617 /nfs/dbraw/zinc/12/86/17/175128617.db2.gz UFNRHIVNYJFYJG-KGLIPLIRSA-N 1 0 252.406 2.019 10 0 CEAERO CCN(CCOC)[C@@H]1CCc2ccccc2[C@@H]1[NH2+]C ZINC000043968575 175129426 /nfs/dbraw/zinc/12/94/26/175129426.db2.gz JJSPPAOZAMDRGB-CVEARBPZSA-N 1 0 262.397 2.230 10 0 CEAERO C[NH2+][C@H](c1ccc(OC)cc1)[C@H](C)N(C)[C@@H](C)COC ZINC000043969099 175130326 /nfs/dbraw/zinc/13/03/26/175130326.db2.gz YIGYHVHMCITLSL-XEZPLFJOSA-N 1 0 280.412 2.311 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2C[C@H]1N(CCOC)C1CC1 ZINC000043969954 175130898 /nfs/dbraw/zinc/13/08/98/175130898.db2.gz AZFXVXAOPKRTDF-SJORKVTESA-N 1 0 274.408 2.373 10 0 CEAERO CCC[NH2+][C@H]1CCCC[C@H]1N(CCOC)C1CC1 ZINC000043970166 175131106 /nfs/dbraw/zinc/13/11/06/175131106.db2.gz LUIOIRRKZJNHKE-LSDHHAIUSA-N 1 0 254.418 2.408 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2C[C@@H]1N(CCOC)C1CC1 ZINC000043969948 175131352 /nfs/dbraw/zinc/13/13/52/175131352.db2.gz AZFXVXAOPKRTDF-DLBZAZTESA-N 1 0 274.408 2.373 10 0 CEAERO CC(C)(C)[C@@H]1CC[C@@H]([NH3+])[C@H](CCS(C)(=O)=O)C1 ZINC000044469357 175177681 /nfs/dbraw/zinc/17/76/81/175177681.db2.gz UQMYEKFWPUBAGZ-IJLUTSLNSA-N 1 0 261.431 2.211 10 0 CEAERO Fc1cccc(F)c1-c1csc(N2CC[NH2+]CC2)n1 ZINC000044494095 175181252 /nfs/dbraw/zinc/18/12/52/175181252.db2.gz RPYPVMTXAVPMHT-UHFFFAOYSA-N 1 0 281.331 2.498 10 0 CEAERO Cc1nc(CN(C)C(=O)c2ccc(C[NH3+])cc2)cs1 ZINC000044609747 175216378 /nfs/dbraw/zinc/21/63/78/175216378.db2.gz UBVFEDOVIUACEX-UHFFFAOYSA-N 1 0 275.377 2.182 10 0 CEAERO CC(C)OC(=O)COc1ccc2c(c1)CCC[C@@H]2[NH3+] ZINC000044732391 175241060 /nfs/dbraw/zinc/24/10/60/175241060.db2.gz HZSZOKXCMFORTD-AWEZNQCLSA-N 1 0 263.337 2.353 10 0 CEAERO CCCNC(=O)[C@@H](C)Oc1ccc2c(c1)CCC[C@H]2[NH3+] ZINC000044744905 175241668 /nfs/dbraw/zinc/24/16/68/175241668.db2.gz CXBCXDHNRRRVDW-IAQYHMDHSA-N 1 0 276.380 2.316 10 0 CEAERO CC[NH2+][C@@H]1CCCc2cc(OCC(=O)N(C)C)ccc21 ZINC000044745629 175241947 /nfs/dbraw/zinc/24/19/47/175241947.db2.gz YPDYFQHKDUPWGO-OAHLLOKOSA-N 1 0 276.380 2.141 10 0 CEAERO C[NH2+][C@H]1CCCc2cc(OCC(=O)NC(C)C)ccc21 ZINC000044745407 175242024 /nfs/dbraw/zinc/24/20/24/175242024.db2.gz SNOQIPIUYCSAAT-HNNXBMFYSA-N 1 0 276.380 2.187 10 0 CEAERO CCCNC(=O)[C@H](C)[NH2+][C@H]1CCCc2cc(O)ccc21 ZINC000044747155 175242449 /nfs/dbraw/zinc/24/24/49/175242449.db2.gz FTXGSZNCVCEVTF-NHYWBVRUSA-N 1 0 276.380 2.274 10 0 CEAERO [NH3+]CC1(C(=O)NCc2ccc(F)cc2)CCCCC1 ZINC000044753203 175245662 /nfs/dbraw/zinc/24/56/62/175245662.db2.gz XRYOQQKHXHCWCB-UHFFFAOYSA-N 1 0 264.344 2.351 10 0 CEAERO COc1ccc(CCNC(=O)C2(C[NH3+])CCCCC2)cc1 ZINC000044762133 175246466 /nfs/dbraw/zinc/24/64/66/175246466.db2.gz PBGGYVVWGYPJJK-UHFFFAOYSA-N 1 0 290.407 2.263 10 0 CEAERO C[C@H](Cc1ccco1)NC(=O)C1(C[NH3+])CCCCC1 ZINC000044763617 175247549 /nfs/dbraw/zinc/24/75/49/175247549.db2.gz USTPHQKKDNIJFH-GFCCVEGCSA-N 1 0 264.369 2.236 10 0 CEAERO CCCO[C@@H]1CCCN(C(=O)C2(C[NH3+])CCCCC2)C1 ZINC000044763998 175247888 /nfs/dbraw/zinc/24/78/88/175247888.db2.gz KZXNOJRSGHHENV-CQSZACIVSA-N 1 0 282.428 2.313 10 0 CEAERO C[C@H]1CCCCN1C(=O)[C@H](C[NH3+])Cc1ccccc1 ZINC000044795522 175254567 /nfs/dbraw/zinc/25/45/67/175254567.db2.gz XYVAJQOWGDHGKK-ZFWWWQNUSA-N 1 0 260.381 2.205 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)Nc1ccc(F)c(F)c1F ZINC000044798372 175254999 /nfs/dbraw/zinc/25/49/99/175254999.db2.gz RUYZYMJWIDTDPN-ZETCQYMHSA-N 1 0 260.259 2.417 10 0 CEAERO CC(C)[C@@H](C[NH3+])C(=O)Nc1ccccc1OC(F)F ZINC000044800152 175255465 /nfs/dbraw/zinc/25/54/65/175255465.db2.gz DIOPRNIVZBFASW-SECBINFHSA-N 1 0 272.295 2.457 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N(C)Cc1cccc(F)c1 ZINC000044799570 175255593 /nfs/dbraw/zinc/25/55/93/175255593.db2.gz ZAQMZGNRTAMWEO-GFCCVEGCSA-N 1 0 252.333 2.159 10 0 CEAERO CC(C)[C@@H](C[NH3+])C(=O)N[C@@H](C)c1ccccc1F ZINC000044806327 175256483 /nfs/dbraw/zinc/25/64/83/175256483.db2.gz GAQSBMMRRMXCQA-CMPLNLGQSA-N 1 0 252.333 2.234 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N(Cc1ccco1)C1CC1 ZINC000044808010 175257056 /nfs/dbraw/zinc/25/70/56/175257056.db2.gz VTTXDVZUSXEBQG-LLVKDONJSA-N 1 0 250.342 2.146 10 0 CEAERO C[C@H]1CCC[C@H](c2noc([C@@H]3C[NH2+]CCO3)n2)C1 ZINC000044978789 175283257 /nfs/dbraw/zinc/28/32/57/175283257.db2.gz TUCNMPGTYDSHRA-DCAQKATOSA-N 1 0 251.330 2.024 10 0 CEAERO C[C@H](CN1Cc2ccc(N)cc2C1)[NH+]1CCCCC1 ZINC000045006864 175288880 /nfs/dbraw/zinc/28/88/80/175288880.db2.gz YXNLQIJMLCDJSM-CYBMUJFWSA-N 1 0 259.397 2.459 10 0 CEAERO CCN(Cc1ccccc1)[C@@](C)(C[NH3+])CCOC ZINC000045043153 175294665 /nfs/dbraw/zinc/29/46/65/175294665.db2.gz YUBXSMWAIWSOQY-OAHLLOKOSA-N 1 0 250.386 2.262 10 0 CEAERO COCC[C@@](C)(C[NH3+])N(C)Cc1cccc(C)c1 ZINC000045043386 175294866 /nfs/dbraw/zinc/29/48/66/175294866.db2.gz OFEKBJOVFDDRPK-HNNXBMFYSA-N 1 0 250.386 2.181 10 0 CEAERO COCC[C@@](C)(C[NH3+])N(C)Cc1cccc(F)c1 ZINC000045043142 175294921 /nfs/dbraw/zinc/29/49/21/175294921.db2.gz HDVVVBSBDAVKRT-AWEZNQCLSA-N 1 0 254.349 2.011 10 0 CEAERO CC1(NS(=O)(=O)c2ccc(C[NH3+])s2)CCCCC1 ZINC000045047338 175296744 /nfs/dbraw/zinc/29/67/44/175296744.db2.gz XTPJIAVGEOBHKB-UHFFFAOYSA-N 1 0 288.438 2.208 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cnn(C)c1)N(C)CC(C)(C)C ZINC000045065394 175299573 /nfs/dbraw/zinc/29/95/73/175299573.db2.gz OJLAPABBRLVHKT-OLZOCXBDSA-N 1 0 252.406 2.176 10 0 CEAERO NC[C@@]1([N@@H+]2CCC[C@@H]2C2CCCC2)CCSC1 ZINC000045071438 175301464 /nfs/dbraw/zinc/30/14/64/175301464.db2.gz VPLXKKNCMGPXJQ-KGLIPLIRSA-N 1 0 254.443 2.475 10 0 CEAERO C[N@H+](C[C@H](O)c1ccc2c(c1)OCO2)CC(C)(C)C ZINC000045087289 175304281 /nfs/dbraw/zinc/30/42/81/175304281.db2.gz SXXHNDGNLIWRHP-LBPRGKRZSA-N 1 0 265.353 2.427 10 0 CEAERO O[C@H]1CCC2(C[C@H]1[N@@H+]1CCC[C@@H]1C1CCCC1)OCCO2 ZINC000045087483 175304488 /nfs/dbraw/zinc/30/44/88/175304488.db2.gz GPNCQVVBLCIEQD-OAGGEKHMSA-N 1 0 295.423 2.298 10 0 CEAERO CCC[N@H+](CC(N)=S)CC(=O)Nc1cccc(Cl)c1 ZINC000045093599 175306982 /nfs/dbraw/zinc/30/69/82/175306982.db2.gz VVWCKKUKTGHYIO-UHFFFAOYSA-N 1 0 299.827 2.277 10 0 CEAERO CCC[C@H](C)NC(=O)[C@H](C)[NH2+]CCOCCC(C)C ZINC000045106868 175308022 /nfs/dbraw/zinc/30/80/22/175308022.db2.gz YDTMAUNRCXAEIY-KBPBESRZSA-N 1 0 272.433 2.332 10 0 CEAERO CC(C)CCOCC[NH2+]C[C@H](O)CO[C@@H](C)CC(C)C ZINC000045106718 175308402 /nfs/dbraw/zinc/30/84/02/175308402.db2.gz PQNQGMGEBPVDBM-HOTGVXAUSA-N 1 0 289.460 2.451 10 0 CEAERO CCN1CCC[C@H]1C[NH2+][C@@H](C)c1c(C)nn(C)c1C ZINC000045167702 175319502 /nfs/dbraw/zinc/31/95/02/175319502.db2.gz FTDAZXWCZHIUAN-FZMZJTMJSA-N 1 0 264.417 2.172 10 0 CEAERO Cc1nn(C)c(C)c1-c1c[nH]c([C@H]([NH3+])CC(C)C)n1 ZINC000045169361 175319753 /nfs/dbraw/zinc/31/97/53/175319753.db2.gz UKSRZHVFWOLGSO-LLVKDONJSA-N 1 0 261.373 2.473 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000045168986 175319796 /nfs/dbraw/zinc/31/97/96/175319796.db2.gz QDPAZATYQOWYMM-BREBYQMCSA-N 1 0 251.374 2.255 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+][C@@H](C)CN2CCCC2=O)c1C ZINC000045171750 175321082 /nfs/dbraw/zinc/32/10/82/175321082.db2.gz VBOXZPCDVZHBBL-NWDGAFQWSA-N 1 0 292.427 2.181 10 0 CEAERO Cc1nn(C)c(C)c1[C@H](C)[NH2+]CCc1cccnc1 ZINC000045171497 175321125 /nfs/dbraw/zinc/32/11/25/175321125.db2.gz PGSOENPXHSSDON-NSHDSACASA-N 1 0 258.369 2.325 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]CCN1CCC(C)CC1 ZINC000045172200 175321467 /nfs/dbraw/zinc/32/14/67/175321467.db2.gz XAZNWXIZWLJKEW-CYBMUJFWSA-N 1 0 278.444 2.419 10 0 CEAERO CC[NH+]1CCC(N[C@@H](C)c2c(C)nn(C)c2C)CC1 ZINC000045172053 175321578 /nfs/dbraw/zinc/32/15/78/175321578.db2.gz XMWVVGSAKDAGKX-NSHDSACASA-N 1 0 264.417 2.172 10 0 CEAERO CCCC[N@H+](C)C[C@](NC)(C(=O)OC)c1ccccc1 ZINC000045221905 175330855 /nfs/dbraw/zinc/33/08/55/175330855.db2.gz OKZFCZADVVIGNS-MRXNPFEDSA-N 1 0 278.396 2.006 10 0 CEAERO CCCC[N@H+](C)C[C@](N)(C(=O)OCC)c1ccccc1 ZINC000045221891 175330924 /nfs/dbraw/zinc/33/09/24/175330924.db2.gz SUERVZLFNHGKST-MRXNPFEDSA-N 1 0 278.396 2.136 10 0 CEAERO CCCC[N@H+](CC)C[C@@](C)(NCC)C(=O)OCC ZINC000045223289 175331201 /nfs/dbraw/zinc/33/12/01/175331201.db2.gz IHRCSDYUWLTFGQ-CQSZACIVSA-N 1 0 258.406 2.040 10 0 CEAERO CCOC(=O)[C@](C)(CC[NH+]1CCCCC1)NC(C)C ZINC000045230142 175334379 /nfs/dbraw/zinc/33/43/79/175334379.db2.gz ZLIHKZDLKNGOFQ-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CCOC(=O)[C@](C)(CC[N@H+](CC)[C@@H](C)CC)NC ZINC000045266565 175338839 /nfs/dbraw/zinc/33/88/39/175338839.db2.gz VTFYEHOLLZNDIF-JSGCOSHPSA-N 1 0 258.406 2.038 10 0 CEAERO CCC[N@H+](C[C@](C)(NCC)C(=O)OCC)C(C)C ZINC000045266788 175338848 /nfs/dbraw/zinc/33/88/48/175338848.db2.gz LFNTUXFRVNNNJG-AWEZNQCLSA-N 1 0 258.406 2.038 10 0 CEAERO CCN[C@@](C)(C[N@H+](CC)C1CCCC1)C(=O)OCC ZINC000045269218 175340350 /nfs/dbraw/zinc/34/03/50/175340350.db2.gz IUBSDMPNMSZEFV-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CCN[C@@](C)(CC[N@@H+]1CCC[C@@H](CC)C1)C(=O)OCC ZINC000045270542 175342166 /nfs/dbraw/zinc/34/21/66/175342166.db2.gz CDOQWHPANIWSEU-ZBFHGGJFSA-N 1 0 284.444 2.430 10 0 CEAERO C[NH2+][C@@](C)(CC[NH+](CC(C)C)CC(C)C)C(=O)[O-] ZINC000045273811 175343902 /nfs/dbraw/zinc/34/39/02/175343902.db2.gz OSMYHOOSVXPECM-AWEZNQCLSA-N 1 0 258.406 2.053 10 0 CEAERO CCOC(=O)[C@](C)(C[N@@H+]1CCC[C@@H]1C1CCCC1)NC ZINC000045277364 175347258 /nfs/dbraw/zinc/34/72/58/175347258.db2.gz PIDCFSGZVYVCIK-ZBFHGGJFSA-N 1 0 282.428 2.182 10 0 CEAERO CCCCC[N@H+](C[C@](C)(NC)C(=O)OC)C(C)C ZINC000045278553 175348610 /nfs/dbraw/zinc/34/86/10/175348610.db2.gz MCGKYYSKOZWZAA-AWEZNQCLSA-N 1 0 258.406 2.038 10 0 CEAERO COC(=O)[C@@](C)(CC[N@H+](C)CC(C)(C)C)NC1CC1 ZINC000045279398 175350524 /nfs/dbraw/zinc/35/05/24/175350524.db2.gz PSXYJZCWZUMPAW-OAHLLOKOSA-N 1 0 270.417 2.038 10 0 CEAERO COC(=O)[C@@](C)(CC[N@H+](C)CCC(C)C)NC1CC1 ZINC000045281315 175352151 /nfs/dbraw/zinc/35/21/51/175352151.db2.gz WATYDWYTQMNCDR-OAHLLOKOSA-N 1 0 270.417 2.038 10 0 CEAERO CCN[C@](C)(CC[N@H+](C)CC1CCCCC1)C(=O)OC ZINC000045281657 175353042 /nfs/dbraw/zinc/35/30/42/175353042.db2.gz BIEANDVWCBUTRQ-MRXNPFEDSA-N 1 0 284.444 2.430 10 0 CEAERO CN[C@](C)(CCC[NH+]1CCCCCCC1)C(=O)OC ZINC000045371560 175364019 /nfs/dbraw/zinc/36/40/19/175364019.db2.gz HCHFJCLBPWSFJM-OAHLLOKOSA-N 1 0 270.417 2.184 10 0 CEAERO CCCC[N@H+](CC)CCC[C@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000045370617 175364506 /nfs/dbraw/zinc/36/45/06/175364506.db2.gz WDVFIXNSUROLNW-HNNXBMFYSA-N 1 0 270.417 2.484 10 0 CEAERO COC(=O)[C@@](C)(CCC[NH+]1CCC(C)CC1)NC1CC1 ZINC000045375032 175365332 /nfs/dbraw/zinc/36/53/32/175365332.db2.gz WYUWCTQOMMYUFD-MRXNPFEDSA-N 1 0 282.428 2.182 10 0 CEAERO CC[N@H+](CCC[C@@](C)([NH2+]C(C)C)C(=O)[O-])C(C)C ZINC000045383778 175371154 /nfs/dbraw/zinc/37/11/54/175371154.db2.gz VIDWFOVTZCITBX-CQSZACIVSA-N 1 0 258.406 2.338 10 0 CEAERO CCC[N@H+](CCCC[C@@](C)([NH2+]C)C(=O)[O-])C1CC1 ZINC000045387358 175372680 /nfs/dbraw/zinc/37/26/80/175372680.db2.gz HRIOOPGGMPSBLC-CQSZACIVSA-N 1 0 256.390 2.094 10 0 CEAERO CCN[C@@](C)(CCC[N@H+](CC)C1CC1)C(=O)OCC ZINC000045386551 175372794 /nfs/dbraw/zinc/37/27/94/175372794.db2.gz BUCHURCXHLSWJM-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CCC[N@H+](CCC[C@@](C)(NCC)C(=O)OC)C1CC1 ZINC000045387599 175373020 /nfs/dbraw/zinc/37/30/20/175373020.db2.gz BUFFXRJBXFLWGO-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CC[N@H+](CCCC[C@@](C)([NH2+]C)C(=O)[O-])C1CCCC1 ZINC000045390413 175374499 /nfs/dbraw/zinc/37/44/99/175374499.db2.gz VEDCULATVURURW-OAHLLOKOSA-N 1 0 270.417 2.484 10 0 CEAERO CCOC(=O)[C@](C)(CCC[N@@H+]1CCC[C@@H](CC)C1)NC ZINC000045393490 175376160 /nfs/dbraw/zinc/37/61/60/175376160.db2.gz CGAWOXPNFISUHG-ZBFHGGJFSA-N 1 0 284.444 2.430 10 0 CEAERO CCOC(=O)[C@@](C)(CCC[N@H+](C)CC1CC1)NC1CC1 ZINC000045419981 175378225 /nfs/dbraw/zinc/37/82/25/175378225.db2.gz YDZFXMGQSCAHJJ-MRXNPFEDSA-N 1 0 282.428 2.182 10 0 CEAERO COC(=O)[C@](C)(CCCC[N@@H+]1CC[C@@H](C)C1)NC(C)C ZINC000045420277 175378829 /nfs/dbraw/zinc/37/88/29/175378829.db2.gz IQXWKPCUDVSRAV-ZBFHGGJFSA-N 1 0 284.444 2.428 10 0 CEAERO CC[NH2+][C@](C)(CCCN(CC)c1cccc(F)c1)C(N)=O ZINC000045421336 175379530 /nfs/dbraw/zinc/37/95/30/175379530.db2.gz KTFYTVDMGHQTPC-MRXNPFEDSA-N 1 0 295.402 2.286 10 0 CEAERO C[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1cc(F)cc(F)c1 ZINC000658243086 415279307 /nfs/dbraw/zinc/27/93/07/415279307.db2.gz AGAJRSIPCGQMEO-VHSXEESVSA-N 1 0 268.307 2.094 10 0 CEAERO Cc1cc([C@H](C)[NH2+]C[C@H]2CC(=O)N(C)C2)c(C)s1 ZINC000658244918 415280197 /nfs/dbraw/zinc/28/01/97/415280197.db2.gz NXUVEEYAUUSFLN-CMPLNLGQSA-N 1 0 266.410 2.494 10 0 CEAERO CC[NH2+][C@H]1CCCCC[C@H]1CCS(=O)(=O)CC ZINC000049851985 175501499 /nfs/dbraw/zinc/50/14/99/175501499.db2.gz BNVQXBXHRAVXKU-STQMWFEESA-N 1 0 261.431 2.370 10 0 CEAERO COc1ccc(OC)c([C@@H](C)[NH2+]C2CC(CO)C2)c1 ZINC000658351920 415334663 /nfs/dbraw/zinc/33/46/63/415334663.db2.gz QWJHQBGUWPHJJW-VOMCLLRMSA-N 1 0 265.353 2.125 10 0 CEAERO CC(C)CCOCCN(C)c1ccc(C(N)=[NH2+])cc1 ZINC000061951736 175658706 /nfs/dbraw/zinc/65/87/06/175658706.db2.gz PUQIDRBEEDJBGQ-UHFFFAOYSA-N 1 0 263.385 2.470 10 0 CEAERO C[C@H](NC(=O)[C@H]1CC[NH2+]C1)c1ccc(Cl)s1 ZINC000062113601 175662985 /nfs/dbraw/zinc/66/29/85/175662985.db2.gz MRRPTMHWWYKBAN-YUMQZZPRSA-N 1 0 258.774 2.188 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)C1CCC2(CC2)CC1 ZINC000659294339 415494370 /nfs/dbraw/zinc/49/43/70/415494370.db2.gz ZJBGYMAIDYYKKP-OLZOCXBDSA-N 1 0 250.386 2.200 10 0 CEAERO Cc1cc(C)cc(CNC(=O)C[C@@H]2CCC[NH2+]C2)c1 ZINC000659345522 415534599 /nfs/dbraw/zinc/53/45/99/415534599.db2.gz MYRHOBDIXWXEFR-AWEZNQCLSA-N 1 0 260.381 2.309 10 0 CEAERO CO[C@H](CNC(=O)[C@H]1CCC[C@H]1C[NH3+])C1CCCCC1 ZINC000659382439 415553688 /nfs/dbraw/zinc/55/36/88/415553688.db2.gz JVUQMGNDYGMHGP-SOUVJXGZSA-N 1 0 282.428 2.073 10 0 CEAERO CCN(CC)C(=O)CC[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000070357264 175888275 /nfs/dbraw/zinc/88/82/75/175888275.db2.gz HXBNIKPERPNZSH-KGLIPLIRSA-N 1 0 270.417 2.038 10 0 CEAERO C[NH2+][C@@H](Cc1ccccc1F)Cc1cccnc1N ZINC000070407287 175913560 /nfs/dbraw/zinc/91/35/60/175913560.db2.gz GMNRDTNDNYMZJT-ZDUSSCGKSA-N 1 0 259.328 2.176 10 0 CEAERO C[NH2+]CCCc1c(C)nc([C@@H]2C[C@H]3CC[C@@H]2O3)nc1C ZINC000070428423 175924120 /nfs/dbraw/zinc/92/41/20/175924120.db2.gz FVMVWIKPDSKJAB-YUELXQCFSA-N 1 0 275.396 2.280 10 0 CEAERO CC(C)[C@H]([NH3+])CN1C(=O)CC2(CCCCC2)CC1=O ZINC000070463665 175944178 /nfs/dbraw/zinc/94/41/78/175944178.db2.gz LUMGDTQGHYIDHL-GFCCVEGCSA-N 1 0 266.385 2.069 10 0 CEAERO Cc1cc([C@H]([NH3+])[C@@H]2COCCO2)c(C)cc1Cl ZINC000070475003 175949273 /nfs/dbraw/zinc/94/92/73/175949273.db2.gz KNBXBHXPARBPJM-STQMWFEESA-N 1 0 255.745 2.372 10 0 CEAERO CC[NH2+][C@@](C)(CO)CN1CCC(Cc2ccccc2)CC1 ZINC000070513160 175961964 /nfs/dbraw/zinc/96/19/64/175961964.db2.gz YNAYBRPNKKSPQM-GOSISDBHSA-N 1 0 290.451 2.302 10 0 CEAERO CCC[NH2+][C@](CO)(CO[C@H]1CCC[C@H](OC)C1)C1CC1 ZINC000070516476 175965548 /nfs/dbraw/zinc/96/55/48/175965548.db2.gz WMXLOESGMAOQCH-HRCADAONSA-N 1 0 285.428 2.101 10 0 CEAERO C[NH2+][C@](C)(CO)CCCCOCCOc1ccccc1 ZINC000070517534 175965993 /nfs/dbraw/zinc/96/59/93/175965993.db2.gz IFKKQRNXAGXFTB-INIZCTEOSA-N 1 0 281.396 2.223 10 0 CEAERO CCC[NH2+]C[C@H](C)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000070526876 175970946 /nfs/dbraw/zinc/97/09/46/175970946.db2.gz CFGISMLFEWXEHG-UYJPIKCFSA-N 1 0 295.427 2.123 10 0 CEAERO C[C@@H](C[NH2+]C(C)(C)C)CN1C(=O)c2ccccc2C1=O ZINC000070526643 175971155 /nfs/dbraw/zinc/97/11/55/175971155.db2.gz CYRPWSCKMAPXLL-NSHDSACASA-N 1 0 274.364 2.307 10 0 CEAERO CC(C)(C)[NH2+]CCC(=O)N[C@@H]1COc2ccccc21 ZINC000070530527 175972945 /nfs/dbraw/zinc/97/29/45/175972945.db2.gz AXJAAVKNQXZDQE-GFCCVEGCSA-N 1 0 262.353 2.015 10 0 CEAERO CC[NH2+][C@H](c1ccc2c(c1)C(=O)NCC2)[C@@H]1C[C@@H]1C ZINC000070536658 175975596 /nfs/dbraw/zinc/97/55/96/175975596.db2.gz ZTAIPJYCZSMCBR-PSOPSSQASA-N 1 0 258.365 2.279 10 0 CEAERO CCC[NH2+][C@@H](C)CCN1CCc2ccccc2C1=O ZINC000070536551 175975606 /nfs/dbraw/zinc/97/56/06/175975606.db2.gz ADDXHXRIRHWYOM-ZDUSSCGKSA-N 1 0 260.381 2.463 10 0 CEAERO Cc1cccc(NC(=O)c2ccc(CC[NH3+])cc2)n1 ZINC000070541576 175977479 /nfs/dbraw/zinc/97/74/79/175977479.db2.gz HHRDNJWNPJOOOV-UHFFFAOYSA-N 1 0 255.321 2.144 10 0 CEAERO COc1cccc(N(C)C(=O)[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000070578014 175993599 /nfs/dbraw/zinc/99/35/99/175993599.db2.gz AWAGKEFZVZEBKE-RYUDHWBXSA-N 1 0 262.353 2.176 10 0 CEAERO CCC[NH2+]C[C@H](C)n1cc(I)cn1 ZINC000070678942 176001027 /nfs/dbraw/zinc/00/10/27/176001027.db2.gz WEVLFSPZZZSHDH-QMMMGPOBSA-N 1 0 293.152 2.048 10 0 CEAERO [NH3+]Cc1ccnn1Cc1ccc(Br)cc1F ZINC000070708263 176002288 /nfs/dbraw/zinc/00/22/88/176002288.db2.gz OSZAFYJDFBIBQT-UHFFFAOYSA-N 1 0 284.132 2.292 10 0 CEAERO [NH3+]Cc1ccn(Cc2ccc(Br)s2)n1 ZINC000070708162 176002497 /nfs/dbraw/zinc/00/24/97/176002497.db2.gz CTYMSMUERMYGCU-UHFFFAOYSA-N 1 0 272.171 2.214 10 0 CEAERO [NH3+]Cc1ccn(Cc2cc(Br)cs2)n1 ZINC000070708194 176002544 /nfs/dbraw/zinc/00/25/44/176002544.db2.gz DDHCLZMAGCZJFY-UHFFFAOYSA-N 1 0 272.171 2.214 10 0 CEAERO CCC[NH2+][C@@H]1CCN(Cc2ccc(OC)cc2OC)C1 ZINC000070940930 176014609 /nfs/dbraw/zinc/01/46/09/176014609.db2.gz WSPXFXNQBDUPMD-CQSZACIVSA-N 1 0 278.396 2.278 10 0 CEAERO [NH3+][C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1cccc2cccnc21 ZINC000070987252 176018743 /nfs/dbraw/zinc/01/87/43/176018743.db2.gz JJFGVQYEHPKUJC-RHSMWYFYSA-N 1 0 281.359 2.388 10 0 CEAERO [NH3+]C[C@H](c1ccccc1)n1cc(C(F)(F)F)cn1 ZINC000070989814 176019047 /nfs/dbraw/zinc/01/90/47/176019047.db2.gz AMHBRDXBUBKHBJ-LLVKDONJSA-N 1 0 255.243 2.450 10 0 CEAERO C[C@@H](Cc1ccc(F)cc1)N1CC[C@@H]([NH2+]C2CC2)C1=O ZINC000071031263 176022445 /nfs/dbraw/zinc/02/24/45/176022445.db2.gz SJZOZMRXHPRTCO-XHDPSFHLSA-N 1 0 276.355 2.110 10 0 CEAERO Cc1ccc2cccc(N3CC[C@H]([NH2+]C4CC4)C3=O)c2n1 ZINC000071031457 176022970 /nfs/dbraw/zinc/02/29/70/176022970.db2.gz UUXYENQHQFLCIM-AWEZNQCLSA-N 1 0 281.359 2.401 10 0 CEAERO C[NH2+][C@@H]1CCCN([C@@H](C)c2cccc(F)c2)C1=O ZINC000071034931 176024677 /nfs/dbraw/zinc/02/46/77/176024677.db2.gz FVXITIWCIKPHDJ-GXFFZTMASA-N 1 0 250.317 2.097 10 0 CEAERO CC1CCC(N2CCC[C@H]([NH2+]C3CC3)C2=O)CC1 ZINC000071035475 176025264 /nfs/dbraw/zinc/02/52/64/176025264.db2.gz ZUBINMRMUBIYME-UBHUBRDASA-N 1 0 250.386 2.308 10 0 CEAERO CC1CCC(N2CCC[C@@H]([NH2+]C3CC3)C2=O)CC1 ZINC000071035477 176025574 /nfs/dbraw/zinc/02/55/74/176025574.db2.gz ZUBINMRMUBIYME-UXUKBGGZSA-N 1 0 250.386 2.308 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCN1C12CC3CC(CC(C3)C1)C2 ZINC000071035699 176025670 /nfs/dbraw/zinc/02/56/70/176025670.db2.gz LZWXJAPNCCHDSO-XWWZASNVSA-N 1 0 274.408 2.308 10 0 CEAERO CCOc1cccc(N2CC[C@@H]([NH2+]C(C)C)C2=O)c1 ZINC000071036727 176025862 /nfs/dbraw/zinc/02/58/62/176025862.db2.gz BBWVHISBDSRELD-CQSZACIVSA-N 1 0 262.353 2.189 10 0 CEAERO COc1ccc(CN2CCC[C@@H]([NH2+]C(C)C)C2=O)cc1 ZINC000071037693 176026750 /nfs/dbraw/zinc/02/67/50/176026750.db2.gz KDGPQRHPRZSCOR-OAHLLOKOSA-N 1 0 276.380 2.184 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCN1c1ccccc1OC(F)F ZINC000071039476 176027029 /nfs/dbraw/zinc/02/70/29/176027029.db2.gz FQWNCBBSVZJWSX-JTQLQIEISA-N 1 0 282.290 2.145 10 0 CEAERO CC(C)[NH2+][C@H]1CCN([C@@H](C)c2cccs2)C1=O ZINC000071040240 176027737 /nfs/dbraw/zinc/02/77/37/176027737.db2.gz DCJYNXCZTBLZKI-QWRGUYRKSA-N 1 0 252.383 2.408 10 0 CEAERO CC(C)[NH2+][C@H]1CCN(Cc2ccc(F)cc2F)C1=O ZINC000071042038 176028490 /nfs/dbraw/zinc/02/84/90/176028490.db2.gz UMAHNJYPRAKPOB-ZDUSSCGKSA-N 1 0 268.307 2.064 10 0 CEAERO C[NH2+][C@H]1CCCN(Cc2ccccc2C(F)(F)F)C1=O ZINC000071042674 176028584 /nfs/dbraw/zinc/02/85/84/176028584.db2.gz MZBJLHXGAVCIPS-LBPRGKRZSA-N 1 0 286.297 2.416 10 0 CEAERO C[C@@H](Cc1cccs1)N1CCC[C@@H]([NH2+]C2CC2)C1=O ZINC000071043840 176029560 /nfs/dbraw/zinc/02/95/60/176029560.db2.gz ADJPGVBMMQLLPY-SMDDNHRTSA-N 1 0 278.421 2.422 10 0 CEAERO NC(=[NH2+])CCN(C[C@@H]1OCCc2ccccc21)C1CC1 ZINC000071091460 176032007 /nfs/dbraw/zinc/03/20/07/176032007.db2.gz HAXHALXMUFTFIO-HNNXBMFYSA-N 1 0 273.380 2.091 10 0 CEAERO CC[C@H]1CCC[C@@](CN)([N@H+](C)C2CCOCC2)C1 ZINC000071123458 176035250 /nfs/dbraw/zinc/03/52/50/176035250.db2.gz KQESDUJWPBDAPT-DZGCQCFKSA-N 1 0 254.418 2.395 10 0 CEAERO CC[C@H]1CCC[C@@](C[NH3+])(N2CCOC(C)(C)C2)C1 ZINC000071123450 176035374 /nfs/dbraw/zinc/03/53/74/176035374.db2.gz KMTLUNOVMSXAMQ-DZGCQCFKSA-N 1 0 254.418 2.395 10 0 CEAERO CC[C@H]1CCC[C@@](NCC[NH+](CC)CC)(C(=O)OC)C1 ZINC000071125753 176035721 /nfs/dbraw/zinc/03/57/21/176035721.db2.gz OVVOSZDPKQOGQI-HOCLYGCPSA-N 1 0 284.444 2.430 10 0 CEAERO COc1cc(OC)cc(O[C@@H](C)C[NH2+]C[C@H]2CCCO2)c1 ZINC000071137864 176036425 /nfs/dbraw/zinc/03/64/25/176036425.db2.gz QXZKEGFRHNJIMI-QWHCGFSZSA-N 1 0 295.379 2.240 10 0 CEAERO CCCCC[C@H]([NH3+])c1ccc2c(c1)C(=O)N(C)C(=O)C2 ZINC000071139403 176037940 /nfs/dbraw/zinc/03/79/40/176037940.db2.gz CORQKJFHTLAOPF-AWEZNQCLSA-N 1 0 274.364 2.421 10 0 CEAERO NNc1[nH+]cccc1COc1cc(F)ccc1F ZINC000071168647 176049753 /nfs/dbraw/zinc/04/97/53/176049753.db2.gz CYVNJARNXQZILJ-UHFFFAOYSA-N 1 0 251.236 2.224 10 0 CEAERO COc1cncc(N(CCC[NH3+])c2ccc(C)cc2)n1 ZINC000071175735 176054448 /nfs/dbraw/zinc/05/44/48/176054448.db2.gz OIQNGKZCZIWILU-UHFFFAOYSA-N 1 0 272.352 2.281 10 0 CEAERO COc1cncc(N(CCC[NH3+])c2ccc(F)cc2)n1 ZINC000071175741 176054626 /nfs/dbraw/zinc/05/46/26/176054626.db2.gz MUVGRJGJIDBZDL-UHFFFAOYSA-N 1 0 276.315 2.111 10 0 CEAERO CCCOc1cncc(N[C@H]2CCCCC[C@@H]2[NH3+])n1 ZINC000071176207 176054796 /nfs/dbraw/zinc/05/47/96/176054796.db2.gz ZVFOOOMABSBQFR-RYUDHWBXSA-N 1 0 264.373 2.337 10 0 CEAERO CC(C)Oc1cncc(N[C@@H](C[NH3+])Cc2ccccc2)n1 ZINC000071177438 176055214 /nfs/dbraw/zinc/05/52/14/176055214.db2.gz KATSZQVHFDKBIQ-CQSZACIVSA-N 1 0 286.379 2.246 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccccc1O[C@H]1CCN(C)C1=O ZINC000071182922 176057970 /nfs/dbraw/zinc/05/79/70/176057970.db2.gz XKAZORDIQJVQPS-WFASDCNBSA-N 1 0 276.380 2.357 10 0 CEAERO CN1CC[C@@H]([NH2+]CCc2ccc(Cl)cc2Cl)C1=O ZINC000071183479 176059060 /nfs/dbraw/zinc/05/90/60/176059060.db2.gz IHQAELUJZMTWNF-GFCCVEGCSA-N 1 0 287.190 2.356 10 0 CEAERO CCOc1ccc(N)cc1CN(C)C[C@H]1CC[N@H+](C)C1 ZINC000071187797 176062020 /nfs/dbraw/zinc/06/20/20/176062020.db2.gz UVSWDEPRNGVCDW-ZDUSSCGKSA-N 1 0 277.412 2.051 10 0 CEAERO CC(=O)c1ccc(N(C)C[C@@H]2CC[N@H+](C)C2)c(F)c1 ZINC000071189368 176064939 /nfs/dbraw/zinc/06/49/39/176064939.db2.gz FHBXGKOLWAMEFE-GFCCVEGCSA-N 1 0 264.344 2.416 10 0 CEAERO C[C@H](O)c1ccc(N(C)C[C@@H]2CC[N@H+](C)C2)c(F)c1 ZINC000071189659 176065275 /nfs/dbraw/zinc/06/52/75/176065275.db2.gz NPVPKRNNRBFQHN-NWDGAFQWSA-N 1 0 266.360 2.267 10 0 CEAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cccc2c1NCCC2 ZINC000071190531 176066342 /nfs/dbraw/zinc/06/63/42/176066342.db2.gz CNKPIRJTNOBZOM-ZDUSSCGKSA-N 1 0 287.407 2.068 10 0 CEAERO CN1CC[C@H](C[N@H+](C)CCC(=O)c2ccccc2)C1 ZINC000071191218 176070414 /nfs/dbraw/zinc/07/04/14/176070414.db2.gz DIRFKZRZBOAWNG-AWEZNQCLSA-N 1 0 260.381 2.143 10 0 CEAERO CC[C@@H]1CCC(=O)[C@H](C[N@H+](C)C[C@@H]2CCN(C)C2)C1 ZINC000071191198 176070711 /nfs/dbraw/zinc/07/07/11/176070711.db2.gz HPQCUHCRTOFYJN-KFWWJZLASA-N 1 0 266.429 2.265 10 0 CEAERO C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(C(N)=O)ccc1F ZINC000071207301 176080936 /nfs/dbraw/zinc/08/09/36/176080936.db2.gz KEFHFFRWUZAIIA-ZANVPECISA-N 1 0 250.317 2.203 10 0 CEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2C)cc1 ZINC000071209985 176082026 /nfs/dbraw/zinc/08/20/26/176082026.db2.gz HXMQTPDJYOYGOQ-SWLSCSKDSA-N 1 0 296.436 2.263 10 0 CEAERO CC[C@H](C)[NH2+]CCn1cc(C(F)(F)F)ccc1=O ZINC000071212146 176084204 /nfs/dbraw/zinc/08/42/04/176084204.db2.gz NDSFWVFFBZTYJD-VIFPVBQESA-N 1 0 262.275 2.255 10 0 CEAERO Cc1ncsc1CNC[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000071213757 176085447 /nfs/dbraw/zinc/08/54/47/176085447.db2.gz BBBWZHDYTRNZHS-UPJWGTAASA-N 1 0 265.426 2.462 10 0 CEAERO COCCN(CCC(N)=[NH2+])Cc1ccccc1Cl ZINC000071229155 176091391 /nfs/dbraw/zinc/09/13/91/176091391.db2.gz OUPVALJDTXVQJI-UHFFFAOYSA-N 1 0 269.776 2.114 10 0 CEAERO CCOC(=O)CCCCC[N@H+](C)[C@H]1CCCN(C)C1 ZINC000071293390 176111634 /nfs/dbraw/zinc/11/16/34/176111634.db2.gz LTYNNDPPZPIYAO-AWEZNQCLSA-N 1 0 270.417 2.136 10 0 CEAERO CC(C)n1cc(Cl)cc1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000071309980 176116819 /nfs/dbraw/zinc/11/68/19/176116819.db2.gz GPCZYEAEIVSHPS-NSHDSACASA-N 1 0 269.776 2.156 10 0 CEAERO CCc1cc2c(ncnc2N(C)[C@@H]2CC[NH2+]C2)s1 ZINC000071311639 176118774 /nfs/dbraw/zinc/11/87/74/176118774.db2.gz CLBNXRZQXKSSBM-SECBINFHSA-N 1 0 262.382 2.052 10 0 CEAERO CCCn1cc(Cl)cc1C(=O)N(CC)[C@@H]1CC[NH2+]C1 ZINC000071312441 176119246 /nfs/dbraw/zinc/11/92/46/176119246.db2.gz HSXLGNZSXTUICC-GFCCVEGCSA-N 1 0 283.803 2.376 10 0 CEAERO Cc1ccc(CC(=O)NC[C@@H]2[NH2+]CCC[C@@H]2C)cc1C ZINC000071338827 176129018 /nfs/dbraw/zinc/12/90/18/176129018.db2.gz SILVZIREYJWKES-BBRMVZONSA-N 1 0 274.408 2.350 10 0 CEAERO Cc1cccc(CCC(=O)NC[C@@H]2[NH2+]CCC[C@H]2C)c1 ZINC000071338777 176129029 /nfs/dbraw/zinc/12/90/29/176129029.db2.gz BXYDJDUDOWFGQP-ZBFHGGJFSA-N 1 0 274.408 2.432 10 0 CEAERO CCOCCN1CC(C)(C)[NH2+]C[C@@H]1c1ccccc1 ZINC000071342926 176130471 /nfs/dbraw/zinc/13/04/71/176130471.db2.gz LNXCUSWCOBBNIW-OAHLLOKOSA-N 1 0 262.397 2.448 10 0 CEAERO CC[C@@H]1CN(Cc2cn3ccccc3n2)C(C)(C)C[NH2+]1 ZINC000071344806 176131508 /nfs/dbraw/zinc/13/15/08/176131508.db2.gz HNESXVAAFOFQQJ-CYBMUJFWSA-N 1 0 272.396 2.297 10 0 CEAERO CCC[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1Cc1ncccn1 ZINC000071346691 176131927 /nfs/dbraw/zinc/13/19/27/176131927.db2.gz NUHLNRLNJRKBBP-UONOGXRCSA-N 1 0 276.428 2.465 10 0 CEAERO CC(C)[C@H]1C[NH2+][C@H](C(C)(C)C)CN1Cc1cnn(C)c1 ZINC000071347137 176132019 /nfs/dbraw/zinc/13/20/19/176132019.db2.gz LAWQQNBSBMAXCR-CABCVRRESA-N 1 0 278.444 2.265 10 0 CEAERO Cc1nccn1CCN1C[C@H](C(C)(C)C)[NH2+]C[C@@H]1C1CC1 ZINC000071347904 176132509 /nfs/dbraw/zinc/13/25/09/176132509.db2.gz QUBKVHSDLGBVQL-HZPDHXFCSA-N 1 0 290.455 2.290 10 0 CEAERO CC(C)(C)[C@H]1C[N@H+](CCCn2ccnc2)C(C)(C)CN1 ZINC000071348294 176132857 /nfs/dbraw/zinc/13/28/57/176132857.db2.gz CMRRIGXHUNSIGL-CQSZACIVSA-N 1 0 278.444 2.372 10 0 CEAERO CC(C)OCCN1C[C@H](Cc2ccccc2)[NH2+]C[C@@H]1C ZINC000071352432 176135487 /nfs/dbraw/zinc/13/54/87/176135487.db2.gz CEBOQBNSYGOOAD-RDJZCZTQSA-N 1 0 276.424 2.316 10 0 CEAERO CC[C@@H](C)[C@H]1CN(CCOCCOC)[C@@](C)(CC)C[NH2+]1 ZINC000071355936 176136905 /nfs/dbraw/zinc/13/69/05/176136905.db2.gz GKRXIVXEZRGUJL-OAGGEKHMSA-N 1 0 286.460 2.138 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(CCOCCOC)C2(CCCC2)C[NH2+]1 ZINC000071356174 176136934 /nfs/dbraw/zinc/13/69/34/176136934.db2.gz WZVSEDDUEQEYMQ-CVEARBPZSA-N 1 0 298.471 2.282 10 0 CEAERO CC[C@]1(C)CN(Cc2ncccn2)C2(CCCC2)C[NH2+]1 ZINC000071357940 176137397 /nfs/dbraw/zinc/13/73/97/176137397.db2.gz LMJPHSDAPYKIHE-OAHLLOKOSA-N 1 0 274.412 2.363 10 0 CEAERO CO[C@H]1CCCC[C@@H]1[NH2+]CCN(C)C1CCCC1 ZINC000071377031 176142104 /nfs/dbraw/zinc/14/21/04/176142104.db2.gz SSACWGIKUBYGMB-GJZGRUSLSA-N 1 0 254.418 2.408 10 0 CEAERO CNc1c(F)cccc1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000071380042 176144539 /nfs/dbraw/zinc/14/45/39/176144539.db2.gz ALEZUMWSYCBBAI-UHFFFAOYSA-N 1 0 293.386 2.472 10 0 CEAERO NC(=[NH2+])c1cc2ccccc2nc1Sc1cnccn1 ZINC000071390491 176148522 /nfs/dbraw/zinc/14/85/22/176148522.db2.gz PDSVCJDGOFAWQH-UHFFFAOYSA-N 1 0 281.344 2.460 10 0 CEAERO Fc1cccc(F)c1-c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000071396516 176150131 /nfs/dbraw/zinc/15/01/31/176150131.db2.gz SPMNRZGOKQTXDK-VIFPVBQESA-N 1 0 251.236 2.439 10 0 CEAERO CCCNC(=O)COc1ccc(C[NH3+])cc1C(F)(F)F ZINC000071398448 176151888 /nfs/dbraw/zinc/15/18/88/176151888.db2.gz IUSMKCFQGKEHKF-UHFFFAOYSA-N 1 0 290.285 2.069 10 0 CEAERO [NH3+][C@H](CCC(=O)NCCc1ccco1)c1ccccc1 ZINC000071400411 176152642 /nfs/dbraw/zinc/15/26/42/176152642.db2.gz JPELURWYDUBZLA-OAHLLOKOSA-N 1 0 272.348 2.419 10 0 CEAERO Cc1ccc(OCCOCC(F)(F)F)c(C[NH3+])c1 ZINC000071403219 176154924 /nfs/dbraw/zinc/15/49/24/176154924.db2.gz XVMQFVHIKPUMPW-UHFFFAOYSA-N 1 0 263.259 2.411 10 0 CEAERO CC[C@H](C)NC(=O)COc1ccc(C)cc1C[NH2+]C ZINC000071403733 176155285 /nfs/dbraw/zinc/15/52/85/176155285.db2.gz NSMHFNMFTQZLID-LBPRGKRZSA-N 1 0 264.369 2.008 10 0 CEAERO CCN(CC)C(=O)[C@@H](C)Oc1ccc(C)cc1C[NH2+]C ZINC000071403699 176155311 /nfs/dbraw/zinc/15/53/11/176155311.db2.gz AQPOZTGPTNWNIZ-CYBMUJFWSA-N 1 0 278.396 2.350 10 0 CEAERO CC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(C)cc1C[NH2+]C ZINC000071403671 176155415 /nfs/dbraw/zinc/15/54/15/176155415.db2.gz BKPBAPOHUQOFQP-QWHCGFSZSA-N 1 0 278.396 2.396 10 0 CEAERO COC(=O)[C@@H](C)Oc1ccc(C)cc1C[NH2+]C(C)C ZINC000071406487 176155638 /nfs/dbraw/zinc/15/56/38/176155638.db2.gz VMPKYZZFJPMSLO-GFCCVEGCSA-N 1 0 265.353 2.433 10 0 CEAERO COC(=O)COc1ccc(C)cc1C[NH2+]C(C)C ZINC000071406604 176155926 /nfs/dbraw/zinc/15/59/26/176155926.db2.gz IKPNNTMUQRJVHA-UHFFFAOYSA-N 1 0 251.326 2.045 10 0 CEAERO CCC[NH2+]Cc1cc(C)ccc1OCC(=O)NC(C)C ZINC000071406374 176155931 /nfs/dbraw/zinc/15/59/31/176155931.db2.gz JDHYJODNHPZSGW-UHFFFAOYSA-N 1 0 278.396 2.398 10 0 CEAERO Cc1ccc(O[C@@H](C)C(=O)NCCC(C)C)c(CC[NH3+])c1 ZINC000071411326 176156973 /nfs/dbraw/zinc/15/69/73/176156973.db2.gz PXXOLMIVQICHJG-AWEZNQCLSA-N 1 0 292.423 2.426 10 0 CEAERO CC[C@@H](C)NC(=O)COc1ccc(C)cc1C[C@H](C)[NH3+] ZINC000071411855 176157370 /nfs/dbraw/zinc/15/73/70/176157370.db2.gz HZQXLDZHWLQDSB-QWHCGFSZSA-N 1 0 278.396 2.178 10 0 CEAERO CCCNC(=O)COc1ccc(C)cc1C[C@@H]([NH3+])CC ZINC000071412297 176157636 /nfs/dbraw/zinc/15/76/36/176157636.db2.gz VHJGMWRPAXXUPU-AWEZNQCLSA-N 1 0 278.396 2.180 10 0 CEAERO CC(C)Oc1cccc(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000071412887 176158097 /nfs/dbraw/zinc/15/80/97/176158097.db2.gz UTHQTLBHAGKWJM-DOMZBBRYSA-N 1 0 276.380 2.202 10 0 CEAERO c1csc([C@@H]2CCCCN2C[C@H]2CCC3(C[NH2+]C3)O2)n1 ZINC000662260288 415729684 /nfs/dbraw/zinc/72/96/84/415729684.db2.gz KNAAJEJRWCKMPI-OLZOCXBDSA-N 1 0 293.436 2.191 10 0 CEAERO COc1ccc([C@H](O)[C@@H](C)[NH2+]C(C)C)cc1OC ZINC000071574764 176202118 /nfs/dbraw/zinc/20/21/18/176202118.db2.gz LYFAMPQJBWFRBY-QMTHXVAHSA-N 1 0 253.342 2.124 10 0 CEAERO [NH3+]CCc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000071576455 176204064 /nfs/dbraw/zinc/20/40/64/176204064.db2.gz INJKRLNJTLQZLN-UHFFFAOYSA-N 1 0 255.243 2.392 10 0 CEAERO CCOc1ccccc1CCCN1CC[NH2+]C[C@H]1C ZINC000071589119 176217396 /nfs/dbraw/zinc/21/73/96/176217396.db2.gz CDEUCRLKXGKIOV-CQSZACIVSA-N 1 0 262.397 2.312 10 0 CEAERO COc1ccc([C@H](O)[C@H](C)[NH2+]C(C)C)c(OC)c1C ZINC000071599199 176223363 /nfs/dbraw/zinc/22/33/63/176223363.db2.gz ZIRJXZVICYOYPL-SMDDNHRTSA-N 1 0 267.369 2.432 10 0 CEAERO C[NH2+][C@@H](C(C)C)[C@@H](O)c1ccc(OC)c(C)c1OC ZINC000071599203 176223678 /nfs/dbraw/zinc/22/36/78/176223678.db2.gz MRACEWZTYMKXEH-KBPBESRZSA-N 1 0 267.369 2.290 10 0 CEAERO CN(CCc1ccncc1)c1ccc(F)cc1CC[NH3+] ZINC000071612898 176233374 /nfs/dbraw/zinc/23/33/74/176233374.db2.gz KRNSTDQVWDWVHG-UHFFFAOYSA-N 1 0 273.355 2.401 10 0 CEAERO CCN(CC)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000071999549 176308350 /nfs/dbraw/zinc/30/83/50/176308350.db2.gz RVBRMHXFVXOOSR-OAHLLOKOSA-N 1 0 277.412 2.211 10 0 CEAERO Fc1ccc(N2CCC[C@H](C3CC[NH2+]CC3)C2)nc1 ZINC000656608465 415784842 /nfs/dbraw/zinc/78/48/42/415784842.db2.gz KFEISRGWVNBQNY-ZDUSSCGKSA-N 1 0 263.360 2.437 10 0 CEAERO Cc1cc(N(C)CC(C)(C)[NH3+])ncc1Br ZINC000656609943 415785311 /nfs/dbraw/zinc/78/53/11/415785311.db2.gz WXUNVDGSGDAQNO-UHFFFAOYSA-N 1 0 272.190 2.326 10 0 CEAERO O=C(c1ccncc1Cl)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000073848284 176496432 /nfs/dbraw/zinc/49/64/32/176496432.db2.gz NHHLUIKEJJEBJU-LLVKDONJSA-N 1 0 279.771 2.045 10 0 CEAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CCC(C3CCC3)CC2)C1 ZINC000662632182 415913574 /nfs/dbraw/zinc/91/35/74/415913574.db2.gz NSCZANCQQDMFES-UONOGXRCSA-N 1 0 250.386 2.153 10 0 CEAERO O=C([C@H]1CCC[NH2+]C1)N1CCC[C@@H](C2CCC2)C1 ZINC000662714992 415940006 /nfs/dbraw/zinc/94/00/06/415940006.db2.gz KOQQXXGPAALPIU-UONOGXRCSA-N 1 0 250.386 2.025 10 0 CEAERO [NH3+][C@H](CS(=O)(=O)c1ccccc1)C1CCCCC1 ZINC000075418121 176699031 /nfs/dbraw/zinc/69/90/31/176699031.db2.gz SFDHOBAWNOGGED-CQSZACIVSA-N 1 0 267.394 2.368 10 0 CEAERO CCOc1ccc(-c2cn(CCC[NH3+])cn2)cc1F ZINC000076361496 177002171 /nfs/dbraw/zinc/00/21/71/177002171.db2.gz FIJAWZOOKUKNOM-UHFFFAOYSA-N 1 0 263.316 2.437 10 0 CEAERO CCOc1ccc(N(C)C(=O)C[NH2+]C(C)C)cc1C ZINC000076369325 177006181 /nfs/dbraw/zinc/00/61/81/177006181.db2.gz LFAWMNQVJVZAPR-UHFFFAOYSA-N 1 0 264.369 2.355 10 0 CEAERO C[NH2+][C@H](C(=O)c1cc(OC)c(OC)cc1C)C(C)C ZINC000076372363 177008738 /nfs/dbraw/zinc/00/87/38/177008738.db2.gz NUUJQTOFTXOTHS-AWEZNQCLSA-N 1 0 265.353 2.439 10 0 CEAERO Cc1ccc(NC(=O)C2(C[NH3+])CC2)cc1Br ZINC000076484523 177026860 /nfs/dbraw/zinc/02/68/60/177026860.db2.gz XSNIEVKQLIKPJL-UHFFFAOYSA-N 1 0 283.169 2.435 10 0 CEAERO COc1ccc(C)cc1NC(=O)[C@@H](C)CCC[NH3+] ZINC000076654749 177044424 /nfs/dbraw/zinc/04/44/24/177044424.db2.gz RLEXLZIBGRYZGP-NSHDSACASA-N 1 0 250.342 2.317 10 0 CEAERO CC[C@H](C)NC(=O)[C@@H](CC[NH3+])c1cccc(F)c1 ZINC000076656575 177045904 /nfs/dbraw/zinc/04/59/04/177045904.db2.gz ROBMQTSDRQENLS-GWCFXTLKSA-N 1 0 252.333 2.173 10 0 CEAERO CCNC(=O)CC[C@H](C[NH3+])c1cccc(Cl)c1 ZINC000076659019 177047809 /nfs/dbraw/zinc/04/78/09/177047809.db2.gz QOBISNVBVZZJPC-LLVKDONJSA-N 1 0 254.761 2.299 10 0 CEAERO CC[C@H](C[NH3+])CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000076679721 177057510 /nfs/dbraw/zinc/05/75/10/177057510.db2.gz CNIYLOVIUUQXJB-JTQLQIEISA-N 1 0 264.325 2.119 10 0 CEAERO CC[C@H]1CC[C@@H]([NH2+]CCc2nnc3ccccn32)C1 ZINC000078005317 177316698 /nfs/dbraw/zinc/31/66/98/177316698.db2.gz SEMQTNAJGIBDIB-QWHCGFSZSA-N 1 0 258.369 2.440 10 0 CEAERO C[C@@H](c1ccccc1)N1CC[NH+](C(C)(C)C(N)=S)CC1 ZINC000078626842 177362238 /nfs/dbraw/zinc/36/22/38/177362238.db2.gz YAZLGVWYWJQCMU-ZDUSSCGKSA-N 1 0 291.464 2.430 10 0 CEAERO CCOc1cc2c(cc1C[NH2+]CC[C@H](C)O)O[C@H](C)C2 ZINC000078781947 177387588 /nfs/dbraw/zinc/38/75/88/177387588.db2.gz YXNOVPBJOSIUAN-NWDGAFQWSA-N 1 0 279.380 2.269 10 0 CEAERO CC1CCC(CC[NH2+]CCCS(C)(=O)=O)CC1 ZINC000078806533 177391059 /nfs/dbraw/zinc/39/10/59/177391059.db2.gz LYFMPENTPUYLBP-UHFFFAOYSA-N 1 0 261.431 2.227 10 0 CEAERO C[C@H](CC[NH3+])CCC(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000079118678 177436752 /nfs/dbraw/zinc/43/67/52/177436752.db2.gz ZRJWBDIIHMWMPG-HOCLYGCPSA-N 1 0 290.407 2.352 10 0 CEAERO CC[C@H](CC[NH3+])CCC(=O)OC[C@H]1CCCCO1 ZINC000079202374 177444801 /nfs/dbraw/zinc/44/48/01/177444801.db2.gz CDPSVGRDALLSDO-QWHCGFSZSA-N 1 0 257.374 2.254 10 0 CEAERO CC[C@@H](CC[NH3+])CCC(=O)N(C)CCc1ccccn1 ZINC000079207419 177445842 /nfs/dbraw/zinc/44/58/42/177445842.db2.gz WUMDOCPDDRYXFQ-CQSZACIVSA-N 1 0 277.412 2.238 10 0 CEAERO CC[C@@H](CC[NH3+])CCC(=O)NCCOC1CCCC1 ZINC000079213566 177448813 /nfs/dbraw/zinc/44/88/13/177448813.db2.gz SOMVIDPUEZFLSZ-CYBMUJFWSA-N 1 0 270.417 2.217 10 0 CEAERO CC(C)[C@@H](CC[NH3+])CCC(=O)N1CCOC(C)(C)C1 ZINC000079255541 177459818 /nfs/dbraw/zinc/45/98/18/177459818.db2.gz ULVYQBCPEGJOET-CYBMUJFWSA-N 1 0 270.417 2.025 10 0 CEAERO C[C@@H]1COCCN1C(=O)CC[C@H](CC[NH3+])C(C)(C)C ZINC000079289929 177464263 /nfs/dbraw/zinc/46/42/63/177464263.db2.gz PPIWEIMMNQLXSE-CHWSQXEVSA-N 1 0 270.417 2.025 10 0 CEAERO CCC[C@@H]1CCCN(C(=O)c2ccc(NN)[nH+]c2)CC1 ZINC000079408689 177481313 /nfs/dbraw/zinc/48/13/13/177481313.db2.gz JVQLFMNSJUHNPV-GFCCVEGCSA-N 1 0 276.384 2.410 10 0 CEAERO C[C@@H](Cc1c(F)cccc1F)NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079516117 177512846 /nfs/dbraw/zinc/51/28/46/177512846.db2.gz RIVNPCVGFDXLEX-ZUZCIYMTSA-N 1 0 282.334 2.154 10 0 CEAERO C[C@H]1[C@H](NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])CCC[C@@H]1C ZINC000079523276 177515449 /nfs/dbraw/zinc/51/54/49/177515449.db2.gz WWQQODZRYXRXSH-XSGSKYOYSA-N 1 0 264.413 2.301 10 0 CEAERO C[C@@H](CCc1ccco1)NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+] ZINC000079532426 177516610 /nfs/dbraw/zinc/51/66/10/177516610.db2.gz IVCYKOOUNRIALK-XXUMUBMXSA-N 1 0 276.380 2.090 10 0 CEAERO C[C@@H]1Nc2ccccc2C[C@H]1C(=O)NCCCC[NH+](C)C ZINC000079893824 177576666 /nfs/dbraw/zinc/57/66/66/177576666.db2.gz VNXNKWJDLJVCDT-DZGCQCFKSA-N 1 0 289.423 2.117 10 0 CEAERO O=C1CC[C@@H](C[NH2+]C2CC(c3ccccc3Cl)C2)N1 ZINC000079926347 177581471 /nfs/dbraw/zinc/58/14/71/177581471.db2.gz CIEDGUBUNKLESE-CXQJBGSLSA-N 1 0 278.783 2.454 10 0 CEAERO COCCOCCn1c(C)c(C)c2cc(C[NH3+])ccc21 ZINC000080051478 177603043 /nfs/dbraw/zinc/60/30/43/177603043.db2.gz LJZOXAGIVHXHJM-UHFFFAOYSA-N 1 0 276.380 2.380 10 0 CEAERO C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000155051820 287334847 /nfs/dbraw/zinc/33/48/47/287334847.db2.gz WSEAWEGGFAJTAE-ZBFHGGJFSA-N 1 0 294.439 2.278 10 0 CEAERO CCOCc1ccccc1CNC(=O)C[C@@H]([NH3+])C(C)C ZINC000136365946 419444971 /nfs/dbraw/zinc/44/49/71/419444971.db2.gz GEMCQTJROXQSAE-OAHLLOKOSA-N 1 0 278.396 2.213 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000136449673 419447328 /nfs/dbraw/zinc/44/73/28/419447328.db2.gz NMEYSHQKCPLXCB-CABCVRRESA-N 1 0 260.381 2.376 10 0 CEAERO CCN(CCc1ccccc1)C(=O)C[C@H]([NH3+])C(C)C ZINC000136394916 419448164 /nfs/dbraw/zinc/44/81/64/419448164.db2.gz RGYPZLYQKOFFJP-HNNXBMFYSA-N 1 0 262.397 2.451 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)NCc1ccccc1OC(F)F ZINC000136436549 419448341 /nfs/dbraw/zinc/44/83/41/419448341.db2.gz MBKSZHUVFZBSFW-LLVKDONJSA-N 1 0 286.322 2.278 10 0 CEAERO CC(=O)Nc1cccc([C@@H](C)NC(=O)C[C@H]([NH3+])C(C)C)c1 ZINC000136409716 419448444 /nfs/dbraw/zinc/44/84/44/419448444.db2.gz TZQJHLCSPNTDCT-ABAIWWIYSA-N 1 0 291.395 2.196 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)Nc1nc(C2CC2)cs1 ZINC000136441025 419448660 /nfs/dbraw/zinc/44/86/60/419448660.db2.gz TVMCFBWOMIYFCA-SECBINFHSA-N 1 0 253.371 2.332 10 0 CEAERO CN(C)C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1ccccc1 ZINC000667770094 419797166 /nfs/dbraw/zinc/79/71/66/419797166.db2.gz OMTFDPQIHLWBMA-YESZJQIVSA-N 1 0 274.408 2.446 10 0 CEAERO CC(C)(O)C(C)(C)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000393615860 261220151 /nfs/dbraw/zinc/22/01/51/261220151.db2.gz JYXMXBFRWWLCED-UTUOFQBUSA-N 1 0 255.402 2.187 10 0 CEAERO C[C@H](COCc1ccccc1)NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000390728017 262247043 /nfs/dbraw/zinc/24/70/43/262247043.db2.gz SXJMFUVSIORVMF-FMKPAKJESA-N 1 0 290.407 2.096 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]2CN(c3ncc(Cl)cc3F)C[C@@H]21 ZINC000230133522 274957642 /nfs/dbraw/zinc/95/76/42/274957642.db2.gz ZDYOFNXAHMORDC-UBHAPETDSA-N 1 0 269.751 2.438 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)CCc2cccc(F)c2F)C1 ZINC000195183479 270307069 /nfs/dbraw/zinc/30/70/69/270307069.db2.gz OCSRHSGRQIDXRD-CYBMUJFWSA-N 1 0 296.361 2.498 10 0 CEAERO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000392885225 270341820 /nfs/dbraw/zinc/34/18/20/270341820.db2.gz AWHNXHKHXALREQ-KXUCPTDWSA-N 1 0 266.307 2.364 10 0 CEAERO CC(=O)Nc1cccc([C@H](C)N[C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000396531979 270349284 /nfs/dbraw/zinc/34/92/84/270349284.db2.gz HPRNFAXJTPWZOM-HWWQOWPSSA-N 1 0 275.396 2.436 10 0 CEAERO C[C@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)[C@@H]1CC1(C)C ZINC000397786034 270355177 /nfs/dbraw/zinc/35/51/77/270355177.db2.gz PGOWBCFWLVWYQA-IHRRRGAJSA-N 1 0 274.412 2.470 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)CSC)C12CCOCC2 ZINC000249006864 280379407 /nfs/dbraw/zinc/37/94/07/280379407.db2.gz NZBCKPVTWNDLGP-FRRDWIJNSA-N 1 0 273.442 2.302 10 0 CEAERO Brc1ccccc1-c1cc2n(n1)CC[NH2+]C2 ZINC000096028976 273476280 /nfs/dbraw/zinc/47/62/80/273476280.db2.gz OOYFEGXIQMSKNF-UHFFFAOYSA-N 1 0 278.153 2.416 10 0 CEAERO CC1(C)CN(c2cc(Br)ccn2)CC[C@H]1[NH3+] ZINC000334995842 273584810 /nfs/dbraw/zinc/58/48/10/273584810.db2.gz MWPWLHQQCWXMKI-SNVBAGLBSA-N 1 0 284.201 2.408 10 0 CEAERO COC(=O)c1ccc2[nH]cc(C3=CC[NH2+]CC3)c2c1 ZINC000058041756 274005073 /nfs/dbraw/zinc/00/50/73/274005073.db2.gz VWIOZKKBOBIXKH-UHFFFAOYSA-N 1 0 256.305 2.331 10 0 CEAERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1ccc2c(n1)CCCC2=O ZINC000333864697 274307278 /nfs/dbraw/zinc/30/72/78/274307278.db2.gz AOZXIFLDMIOTML-MFKMUULPSA-N 1 0 259.353 2.011 10 0 CEAERO Cc1cc(N2CC[NH2+]C(C)(C)C2)ncc1Br ZINC000163921156 274708599 /nfs/dbraw/zinc/70/85/99/274708599.db2.gz ZZKKQMZRDXCFSU-UHFFFAOYSA-N 1 0 284.201 2.341 10 0 CEAERO Cc1csc2c1ncnc2N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000261550745 274832415 /nfs/dbraw/zinc/83/24/15/274832415.db2.gz PRHDJUYHUVNEPO-PSASIEDQSA-N 1 0 262.382 2.173 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]2CN(c3ccc(Cl)cn3)C[C@H]21 ZINC000228549471 274957435 /nfs/dbraw/zinc/95/74/35/274957435.db2.gz KAQLMQHYJKKCJU-YUSALJHKSA-N 1 0 251.761 2.299 10 0 CEAERO CCC[C@@H](C(=O)NCc1nc2cc(C)ccc2[nH]1)[NH+](C)C ZINC000179495865 276021272 /nfs/dbraw/zinc/02/12/72/276021272.db2.gz RLJPFWZRELDSON-AWEZNQCLSA-N 1 0 288.395 2.218 10 0 CEAERO CC1(C)CN(C(=O)[C@H]2CCc3ccccc32)CC[C@@H]1[NH3+] ZINC000261692521 276126638 /nfs/dbraw/zinc/12/66/38/276126638.db2.gz DGWVNUBUMQADQC-GJZGRUSLSA-N 1 0 272.392 2.302 10 0 CEAERO CC[NH2+]CC1CCN(c2ncc(Br)cn2)CC1 ZINC000113698823 276264808 /nfs/dbraw/zinc/26/48/08/276264808.db2.gz FNDBJCPMNZZPHK-UHFFFAOYSA-N 1 0 299.216 2.065 10 0 CEAERO CCC[C@H](C(=O)NCCC[C@H]1CCCCO1)[NH+](C)C ZINC000183431991 276281845 /nfs/dbraw/zinc/28/18/45/276281845.db2.gz KENDZEVVFSGHOU-ZIAGYGMSSA-N 1 0 270.417 2.182 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000037042620 276285558 /nfs/dbraw/zinc/28/55/58/276285558.db2.gz BXRYVVGBDZCTFV-GUBZILKMSA-N 1 0 266.307 2.351 10 0 CEAERO CCC[C@](C)([NH3+])C(=O)N[C@H]1CCO[C@@H]1c1ccccc1 ZINC000262144909 276292036 /nfs/dbraw/zinc/29/20/36/276292036.db2.gz PWGODPPDXZIBJU-LZWOXQAQSA-N 1 0 276.380 2.150 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C2CCOCC2)C12CCOCC2 ZINC000248974297 276347209 /nfs/dbraw/zinc/34/72/09/276347209.db2.gz HFQZMTQYTILPQV-FVQBIDKESA-N 1 0 297.439 2.365 10 0 CEAERO CC[C@H]1CC[C@H](C(=O)N[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000262278498 276654984 /nfs/dbraw/zinc/65/49/84/276654984.db2.gz UIAZBVFXNDLJGO-XUXIUFHCSA-N 1 0 252.402 2.446 10 0 CEAERO CCc1ccc([C@@H]2CCCCN2C(=O)C[NH2+]C)o1 ZINC000193131085 276670633 /nfs/dbraw/zinc/67/06/33/276670633.db2.gz ZPCNQHILKGBPMM-LBPRGKRZSA-N 1 0 250.342 2.115 10 0 CEAERO CCc1cnc(-c2cc3c(c(F)c2)O[C@@H](C[NH3+])C3)nc1 ZINC000067956415 276696639 /nfs/dbraw/zinc/69/66/39/276696639.db2.gz DHXPFOOGEPSISU-GFCCVEGCSA-N 1 0 273.311 2.107 10 0 CEAERO C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000173401099 276887506 /nfs/dbraw/zinc/88/75/06/276887506.db2.gz KKIZYPVQRLOXDC-HUUCEWRRSA-N 1 0 264.413 2.413 10 0 CEAERO CN1CCO[C@@H](C[NH2+][C@H]2CC(C)(C)c3ccccc32)C1 ZINC000180489560 276933777 /nfs/dbraw/zinc/93/37/77/276933777.db2.gz FENUDAOCPUGTGP-BBRMVZONSA-N 1 0 274.408 2.329 10 0 CEAERO CN1CCO[C@H](C[NH2+][C@H]2CC(C)(C)c3ccccc32)C1 ZINC000180489524 277128230 /nfs/dbraw/zinc/12/82/30/277128230.db2.gz FENUDAOCPUGTGP-CJNGLKHVSA-N 1 0 274.408 2.329 10 0 CEAERO CC(C)(C)CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000261971511 277142173 /nfs/dbraw/zinc/14/21/73/277142173.db2.gz QPXZSIZSCQVZNL-BFHYXJOUSA-N 1 0 254.418 2.169 10 0 CEAERO CC(C)(C)OC(=O)NCC[C@H](C[NH3+])C(F)(F)F ZINC000071373342 277199333 /nfs/dbraw/zinc/19/93/33/277199333.db2.gz UKAOODOCYCWEIL-SSDOTTSWSA-N 1 0 256.268 2.038 10 0 CEAERO CC(C)(C)OC[C@@H](O)C[NH2+][C@@H]1CC2CCC1CC2 ZINC000336795313 277215928 /nfs/dbraw/zinc/21/59/28/277215928.db2.gz JNSOTSICOSLKBE-CLRIEMFWSA-N 1 0 255.402 2.331 10 0 CEAERO CO[C@@H]1CCN(C[C@@H]2CCCC(F)(F)C2)[C@@H](C[NH3+])C1 ZINC000261558907 277292474 /nfs/dbraw/zinc/29/24/74/277292474.db2.gz ATLKZNMZWKGNII-JHJVBQTASA-N 1 0 276.371 2.250 10 0 CEAERO CC(C)(CNC(=O)[C@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000085369607 277302409 /nfs/dbraw/zinc/30/24/09/277302409.db2.gz GEEKXMMAFXMRSY-UONOGXRCSA-N 1 0 260.381 2.208 10 0 CEAERO CO[C@H]1CC[N@H+](CC2CCCCCC2)[C@H](CN)C1 ZINC000161016306 277340384 /nfs/dbraw/zinc/34/03/84/277340384.db2.gz JJEXPOCSSPZQOQ-GJZGRUSLSA-N 1 0 254.418 2.395 10 0 CEAERO COc1nc2ccccc2nc1N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000095071697 277484114 /nfs/dbraw/zinc/48/41/14/277484114.db2.gz KCWGBCHUBKMRTO-WDEREUQCSA-N 1 0 272.352 2.320 10 0 CEAERO C[C@@H](NC(=O)[C@H]1[NH2+]CCCC1(C)C)c1cccnc1 ZINC000235176089 277612119 /nfs/dbraw/zinc/61/21/19/277612119.db2.gz RAUSRIXRFULHRP-DGCLKSJQSA-N 1 0 261.369 2.037 10 0 CEAERO COc1ccc([C@@H]2[NH2+]C[C@@H](O)c3cc(O)ccc32)cc1 ZINC000031273451 277929564 /nfs/dbraw/zinc/92/95/64/277929564.db2.gz DVQHCBGOTACKAX-CVEARBPZSA-N 1 0 271.316 2.127 10 0 CEAERO CSC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000131428241 278136902 /nfs/dbraw/zinc/13/69/02/278136902.db2.gz XLQGCUXZNNBWES-GXTWGEPZSA-N 1 0 280.437 2.027 10 0 CEAERO CC(F)(F)CC[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000334605793 278160702 /nfs/dbraw/zinc/16/07/02/278160702.db2.gz JZRATKBUGHNVEY-UWVGGRQHSA-N 1 0 251.342 2.238 10 0 CEAERO CC(F)(F)CC[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000335408624 278160755 /nfs/dbraw/zinc/16/07/55/278160755.db2.gz NZTXLESPIWIGBW-LLVKDONJSA-N 1 0 251.342 2.240 10 0 CEAERO CC(C)(C(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000171585805 278264459 /nfs/dbraw/zinc/26/44/59/278264459.db2.gz BVCQHPKSRJBZMX-HNNXBMFYSA-N 1 0 272.392 2.271 10 0 CEAERO C[C@@H]([NH3+])[C@@H]1CCN(c2ccc(Br)cn2)C1 ZINC000168573099 278314044 /nfs/dbraw/zinc/31/40/44/278314044.db2.gz JHIYUEWXEPILEN-RKDXNWHRSA-N 1 0 270.174 2.018 10 0 CEAERO CC1(C)CN(C(=O)c2cccc(F)c2F)CC[C@@H]1[NH3+] ZINC000261569047 278324532 /nfs/dbraw/zinc/32/45/32/278324532.db2.gz LWKBBCJOTXQSTI-NSHDSACASA-N 1 0 268.307 2.164 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]CCF)C1 ZINC000309933996 278393884 /nfs/dbraw/zinc/39/38/84/278393884.db2.gz AJNKQOWGHBAEGJ-LLVKDONJSA-N 1 0 260.353 2.193 10 0 CEAERO CC(C)CC1(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])CCC1 ZINC000157690696 278741809 /nfs/dbraw/zinc/74/18/09/278741809.db2.gz YVJBHXBCISOPIT-CHWSQXEVSA-N 1 0 252.402 2.446 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+][C@H](C)C2CCCCC2)C1 ZINC000263531140 279059909 /nfs/dbraw/zinc/05/99/09/279059909.db2.gz WMPLQCKBTXGJPG-LRVUVFPRSA-N 1 0 282.428 2.482 10 0 CEAERO C[C@H](C[NH3+])N(C)c1ncc(Br)cc1Cl 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CCC[C@H](C(=O)NCC(O)(CCC)CCC)[NH+](C)C ZINC000162230680 312647664 /nfs/dbraw/zinc/64/76/64/312647664.db2.gz LEAKWYONIMGSRZ-CYBMUJFWSA-N 1 0 272.433 2.164 10 0 CEAERO CCc1nnc(C[NH2+]C2[C@@H](C)CCC[C@@H]2C)n1C ZINC000182721531 312830344 /nfs/dbraw/zinc/83/03/44/312830344.db2.gz BBUYUJBONCLWTI-QWRGUYRKSA-N 1 0 250.390 2.292 10 0 CEAERO COc1c(C[NH2+]CCc2ccc(F)c(F)c2)c(C)nn1C ZINC000190280818 321781763 /nfs/dbraw/zinc/78/17/63/321781763.db2.gz PPHDPYVSQOGVGF-UHFFFAOYSA-N 1 0 295.333 2.348 10 0 CEAERO CCS(=O)(=O)c1ccc(N[C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000382453503 321840035 /nfs/dbraw/zinc/84/00/35/321840035.db2.gz OUOFILYDNZELKF-WCQYABFASA-N 1 0 282.409 2.020 10 0 CEAERO COc1cccc(Cl)c1CNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000384275023 321850936 /nfs/dbraw/zinc/85/09/36/321850936.db2.gz SSCXEQOTJAYDRN-MNOVXSKESA-N 1 0 296.798 2.353 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]2CN(c3ccnc4cccnc43)C[C@H]21 ZINC000393585462 329087653 /nfs/dbraw/zinc/08/76/53/329087653.db2.gz JMNDJSPATXPXAK-JHJVBQTASA-N 1 0 268.364 2.193 10 0 CEAERO CC(C)(C)OC(=O)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC000238109640 333182944 /nfs/dbraw/zinc/18/29/44/333182944.db2.gz SIFXOCTVGYHNIX-UONOGXRCSA-N 1 0 274.364 2.493 10 0 CEAERO CC(C)C[NH2+]C[C@]1(CC2CCOCC2)CCOC1 ZINC000054666050 519746840 /nfs/dbraw/zinc/74/68/40/519746840.db2.gz CZVGFLYZFCYAFH-OAHLLOKOSA-N 1 0 255.402 2.455 10 0 CEAERO CC(C)[C@@H]1CC[C@H](O)[C@H]([N@H+](C)C2CCOCC2)C1 ZINC000054558293 519803473 /nfs/dbraw/zinc/80/34/73/519803473.db2.gz NDMPQGNHMYNHBE-YUELXQCFSA-N 1 0 255.402 2.283 10 0 CEAERO CCC1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])[C@@H]2C)CC1 ZINC000055134675 519858503 /nfs/dbraw/zinc/85/85/03/519858503.db2.gz GTBWUJWHZJGEPX-BNOWGMLFSA-N 1 0 252.402 2.399 10 0 CEAERO CCCC1CC[NH+](CC[C@@](C)(NC)C(=O)OCC)CC1 ZINC000050905736 519901737 /nfs/dbraw/zinc/90/17/37/519901737.db2.gz QUXPXZVRPYMYID-MRXNPFEDSA-N 1 0 284.444 2.430 10 0 CEAERO CC[NH2+]CCC(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000061291082 519917221 /nfs/dbraw/zinc/91/72/21/519917221.db2.gz NCOQTEBEPQXFNT-LBPRGKRZSA-N 1 0 282.384 2.478 10 0 CEAERO CC[NH2+]CCC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000061292688 519917474 /nfs/dbraw/zinc/91/74/74/519917474.db2.gz BCEUNCNDCQFOJR-UWVGGRQHSA-N 1 0 266.307 2.223 10 0 CEAERO CC[NH2+]CCC(=O)Nc1ccccc1N1CCCC1 ZINC000061290986 519918667 /nfs/dbraw/zinc/91/86/67/519918667.db2.gz YFMHOWYEDFRIDS-UHFFFAOYSA-N 1 0 261.369 2.225 10 0 CEAERO CC[NH2+]CCS(=O)(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000049641091 519924630 /nfs/dbraw/zinc/92/46/30/519924630.db2.gz WLNHRJHVCMDLER-UHFFFAOYSA-N 1 0 297.207 2.345 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1nc(C2CC2)cs1 ZINC000061267756 519942500 /nfs/dbraw/zinc/94/25/00/519942500.db2.gz IRXJOUYJSITRBO-MRVPVSSYSA-N 1 0 253.371 2.205 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccccc1COC ZINC000061231009 519968620 /nfs/dbraw/zinc/96/86/20/519968620.db2.gz HRQOKFKBXZJCIC-NSHDSACASA-N 1 0 250.342 2.017 10 0 CEAERO CCC[NH2+]Cc1sc(N2CCOCC2)nc1C1CC1 ZINC000069146621 519975772 /nfs/dbraw/zinc/97/57/72/519975772.db2.gz RJBCGWQUUXGGJS-UHFFFAOYSA-N 1 0 281.425 2.357 10 0 CEAERO CC[NH2+]C[C@H]1CCN(c2cc(OC)cc(OC)c2)C1 ZINC000053011117 519978318 /nfs/dbraw/zinc/97/83/18/519978318.db2.gz BQKQINCZUXLFJB-GFCCVEGCSA-N 1 0 264.369 2.140 10 0 CEAERO CCCN[C@@H](CC[N@H+](C)CC1CCC1)C(=O)OCC ZINC000062532319 519994684 /nfs/dbraw/zinc/99/46/84/519994684.db2.gz PWAXVZBFDRKJGL-AWEZNQCLSA-N 1 0 270.417 2.040 10 0 CEAERO CCCN[C@@H](CC[N@H+](CC)[C@@H](C)CC)C(=O)OCC ZINC000062446448 519997124 /nfs/dbraw/zinc/99/71/24/519997124.db2.gz KXABIHASFPNYRI-KBPBESRZSA-N 1 0 272.433 2.428 10 0 CEAERO CCCN[C@@](C)(C[C@H](C)[NH+]1CCC(CC)CC1)C(N)=O ZINC000068638263 520045231 /nfs/dbraw/zinc/04/52/31/520045231.db2.gz RXFVJFVIMBRNMP-BBRMVZONSA-N 1 0 283.460 2.131 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1ccc(F)c(NC(C)=O)c1 ZINC000061271486 520069678 /nfs/dbraw/zinc/06/96/78/520069678.db2.gz FZWYWPVEJVUPSJ-VIFPVBQESA-N 1 0 281.331 2.111 10 0 CEAERO CCCN[C@H](CC[N@H+](CCC)C(C)C)C(=O)OC ZINC000062446758 520074677 /nfs/dbraw/zinc/07/46/77/520074677.db2.gz UZLQJMMKSALDON-CYBMUJFWSA-N 1 0 258.406 2.038 10 0 CEAERO CCC[NH2+][C@H](CC[N@H+](C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000062456659 520072868 /nfs/dbraw/zinc/07/28/68/520072868.db2.gz FWFZGARUSBKNLN-NWDGAFQWSA-N 1 0 258.406 2.196 10 0 CEAERO CC[NH2+][C@@H](CC)c1ccccc1OC[C@H](O)COC ZINC000069053508 520083630 /nfs/dbraw/zinc/08/36/30/520083630.db2.gz XWYNUGOGMLRBOK-OCCSQVGLSA-N 1 0 267.369 2.133 10 0 CEAERO CC[NH2+][C@@H](CC[NH+](CC(C)C)CC(C)C)C(=O)[O-] ZINC000062454388 520086409 /nfs/dbraw/zinc/08/64/09/520086409.db2.gz NYFHBRZHJSKAQH-ZDUSSCGKSA-N 1 0 258.406 2.053 10 0 CEAERO CCCCCC[C@@H](C)[NH2+][C@@H]1CC(=O)N(C2CC2)C1=O ZINC000049200100 520117111 /nfs/dbraw/zinc/11/71/11/520117111.db2.gz SYRIXMSPUNUVGN-DGCLKSJQSA-N 1 0 266.385 2.225 10 0 CEAERO CC[NH2+][C@@](C)(C[C@@H](C)[NH+](CC1CC1)CC1CC1)C(=O)[O-] ZINC000068647957 520138695 /nfs/dbraw/zinc/13/86/95/520138695.db2.gz QISDOWIHTRYOSK-WBMJQRKESA-N 1 0 282.428 2.340 10 0 CEAERO 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/nfs/dbraw/zinc/72/43/85/519724385.db2.gz DNPLGEADTUCPPN-MRXNPFEDSA-N 1 0 290.455 2.226 10 0 CEAERO CC(C)[NH2+]Cc1ccnc(N2CCCO[C@H](C)C2)c1 ZINC000061935228 519727754 /nfs/dbraw/zinc/72/77/54/519727754.db2.gz LMMVZKAUSHBGPU-CYBMUJFWSA-N 1 0 263.385 2.195 10 0 CEAERO CC(C)[NH2+]Cc1occc1CN1C[C@H](C)O[C@@H](C)C1 ZINC000052380447 519730282 /nfs/dbraw/zinc/73/02/82/519730282.db2.gz ZMIYKQJRECNBCZ-STQMWFEESA-N 1 0 266.385 2.387 10 0 CEAERO CC(C)[NH2+][C@@H](CCSCc1ccccc1)C(N)=O ZINC000062598164 519734651 /nfs/dbraw/zinc/73/46/51/519734651.db2.gz YRWDDRVLHLOECT-ZDUSSCGKSA-N 1 0 266.410 2.162 10 0 CEAERO CC(C)[NH2+][C@@](C)(CCSCc1ccco1)C(N)=O ZINC000045548108 519735914 /nfs/dbraw/zinc/73/59/14/519735914.db2.gz NDUPRONTLVIODA-ZDUSSCGKSA-N 1 0 270.398 2.145 10 0 CEAERO CC(C)N[C@@](C)(C[C@@H](C)[N@H+](C)C1CCCCC1)C(N)=O ZINC000068621117 519736191 /nfs/dbraw/zinc/73/61/91/519736191.db2.gz BEZQFBIAGLICKZ-CJNGLKHVSA-N 1 0 283.460 2.272 10 0 CEAERO CC(C)N[C@@](C[N@H+](C)C1CCC(C)CC1)(C(N)=O)C1CC1 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CC(C)[C@H](NC(=O)[C@@]1(C)CC[NH2+]C1)c1ccccc1 ZINC000062892238 519819709 /nfs/dbraw/zinc/81/97/09/519819709.db2.gz HANLVGXTVFORJC-HOCLYGCPSA-N 1 0 260.381 2.500 10 0 CEAERO CC(C)c1ccc(CNC(=O)c2cc[nH+]c(NN)c2)cc1 ZINC000051119462 519836202 /nfs/dbraw/zinc/83/62/02/519836202.db2.gz MGRVXENQSAXCKG-UHFFFAOYSA-N 1 0 284.363 2.421 10 0 CEAERO CC(C)c1ccc(NS(=O)(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000049641034 519837796 /nfs/dbraw/zinc/83/77/96/519837796.db2.gz GIFFLZMGVCVFAU-AWEZNQCLSA-N 1 0 282.409 2.304 10 0 CEAERO CC(C)c1ccc(S(=O)(=O)N2[C@H](C)C[NH2+]C[C@H]2C)cc1 ZINC000069133797 519838589 /nfs/dbraw/zinc/83/85/89/519838589.db2.gz UEEZPZJSKJXNCX-CHWSQXEVSA-N 1 0 296.436 2.181 10 0 CEAERO CC(C)c1cccc(NS(=O)(=O)C2CC[NH2+]CC2)c1 ZINC000049642544 519842551 /nfs/dbraw/zinc/84/25/51/519842551.db2.gz WHGQVXZCPRRARX-UHFFFAOYSA-N 1 0 282.409 2.304 10 0 CEAERO CCC[NH+]1CCC(Nc2ccc(C(N)=S)cn2)CC1 ZINC000049560075 519847371 /nfs/dbraw/zinc/84/73/71/519847371.db2.gz RBJVOVWWGYPPLH-UHFFFAOYSA-N 1 0 278.425 2.002 10 0 CEAERO CCOCCC[NH2+]CCN1c2ccccc2C[C@@H]1C ZINC000053345252 519896574 /nfs/dbraw/zinc/89/65/74/519896574.db2.gz GWQKSIXNIKHLID-AWEZNQCLSA-N 1 0 262.397 2.454 10 0 CEAERO CCCC1CCC([NH2+]C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC000049545378 519898832 /nfs/dbraw/zinc/89/88/32/519898832.db2.gz WEVCQQRDXJDZDS-BHUNQDJPSA-N 1 0 299.455 2.491 10 0 CEAERO CCCC1CCC([NH2+][C@H](C)C(=O)NCCOC)CC1 ZINC000049545527 519899467 /nfs/dbraw/zinc/89/94/67/519899467.db2.gz VULPVXLWWXWBLW-IYXRBSQSSA-N 1 0 270.417 2.086 10 0 CEAERO CCN(C(=O)C(C)(C)[NH2+]C)[C@@H](C)c1cccc(O)c1 ZINC000061317744 519900005 /nfs/dbraw/zinc/90/00/05/519900005.db2.gz XYVMZMZBKVZPIX-NSHDSACASA-N 1 0 264.369 2.300 10 0 CEAERO CCCC1CC[NH+](CC[C@@H](NC(C)C)C(=O)OC)CC1 ZINC000062531173 519901464 /nfs/dbraw/zinc/90/14/64/519901464.db2.gz KWLFWKRMXWNTPH-OAHLLOKOSA-N 1 0 284.444 2.428 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N(C)c1ccc(OC)cc1 ZINC000061299312 519903336 /nfs/dbraw/zinc/90/33/36/519903336.db2.gz FIKFCFIHLNDNQA-UHFFFAOYSA-N 1 0 250.342 2.046 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N1CCCc2cccc(OC)c21 ZINC000061296773 519904368 /nfs/dbraw/zinc/90/43/68/519904368.db2.gz CVPQPLVGFAYWBI-UHFFFAOYSA-N 1 0 276.380 2.363 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)NCC(C)(C)c1ccccc1 ZINC000061296857 519905283 /nfs/dbraw/zinc/90/52/83/519905283.db2.gz YOESZCCPNXBCID-UHFFFAOYSA-N 1 0 262.397 2.469 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)NCc1ccccc1OC(F)F ZINC000061298871 519905533 /nfs/dbraw/zinc/90/55/33/519905533.db2.gz POZSSMGSRIGJKJ-UHFFFAOYSA-N 1 0 286.322 2.292 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N[C@@H](C)c1cc(C)oc1C ZINC000061299241 519905547 /nfs/dbraw/zinc/90/55/47/519905547.db2.gz XGLZMAPSYFKWEC-JTQLQIEISA-N 1 0 252.358 2.462 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1c(C)nn(C(C)C)c1C ZINC000061293896 519906142 /nfs/dbraw/zinc/90/61/42/519906142.db2.gz NCUVQFYNRXXBEQ-UHFFFAOYSA-N 1 0 266.389 2.407 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1sc(C)c(C)c1C(=O)OC ZINC000061298796 519908121 /nfs/dbraw/zinc/90/81/21/519908121.db2.gz STAWAAXRDJUSBL-UHFFFAOYSA-N 1 0 298.408 2.478 10 0 CEAERO CCC[NH2+]CC1(CN2C[C@@H](C)OC[C@@H]2CC)CCOCC1 ZINC000052197569 519911284 /nfs/dbraw/zinc/91/12/84/519911284.db2.gz ZIVHNBQLLYDIOM-CVEARBPZSA-N 1 0 298.471 2.282 10 0 CEAERO CCC[NH2+]CCCc1nnc(CC(F)(F)F)o1 ZINC000050617234 519914377 /nfs/dbraw/zinc/91/43/77/519914377.db2.gz DPCOOBCNULLXIO-UHFFFAOYSA-N 1 0 251.252 2.107 10 0 CEAERO CC[NH2+]CCC(=O)N[C@@H](CC)c1ccc(OC)cc1 ZINC000061292026 519916808 /nfs/dbraw/zinc/91/68/08/519916808.db2.gz CELFWEDAOXAKFT-AWEZNQCLSA-N 1 0 264.369 2.262 10 0 CEAERO CCC[NH2+]C[C@@H](C)Cn1cc(Br)cn1 ZINC000052577686 519920276 /nfs/dbraw/zinc/92/02/76/519920276.db2.gz OVPMNVSUXVVNNU-SECBINFHSA-N 1 0 260.179 2.281 10 0 CEAERO CC[NH2+]CC[C@H](C)N1CCN(c2ccccc2OC)CC1 ZINC000052422937 519928645 /nfs/dbraw/zinc/92/86/45/519928645.db2.gz OCQPQQDYHGYSFR-HNNXBMFYSA-N 1 0 291.439 2.205 10 0 CEAERO CCC[NH2+]C[C@H](C)N1CCN(c2cccc(OC)c2)CC1 ZINC000052423669 519931645 /nfs/dbraw/zinc/93/16/45/519931645.db2.gz UIDHXSFFTAACCS-HNNXBMFYSA-N 1 0 291.439 2.205 10 0 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ZINC000061675847 520172413 /nfs/dbraw/zinc/17/24/13/520172413.db2.gz ALZUXWCDAJSHJZ-IUODEOHRSA-N 1 0 278.396 2.260 10 0 CEAERO CC[NH2+][C@H](C)c1c(C)nn(Cc2cnn(CC)c2)c1C ZINC000054718198 520175947 /nfs/dbraw/zinc/17/59/47/520175947.db2.gz RJGADAWSHZQDPS-LLVKDONJSA-N 1 0 275.400 2.435 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(NC(=O)c2cn[nH]c2)cc1 ZINC000062775423 520177813 /nfs/dbraw/zinc/17/78/13/520177813.db2.gz CSZJOFRBXDCCML-SNVBAGLBSA-N 1 0 258.325 2.333 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(NC(=O)N[C@@H](C)C(=O)OC)cc1 ZINC000049365406 520178354 /nfs/dbraw/zinc/17/83/54/520178354.db2.gz SVMWWYCNNIUJEN-MNOVXSKESA-N 1 0 293.367 2.040 10 0 CEAERO CC[NH2+][C@H](CC)c1ccccc1O[C@H](CC)C(N)=O ZINC000061675801 520185425 /nfs/dbraw/zinc/18/54/25/520185425.db2.gz XWXGDTYTGVRKFW-CHWSQXEVSA-N 1 0 264.369 2.390 10 0 CEAERO CC[NH2+][C@H](CSC)c1ccc2c(c1)OCCO2 ZINC000055229834 520201244 /nfs/dbraw/zinc/20/12/44/520201244.db2.gz VOOLPZATAYXGHM-LLVKDONJSA-N 1 0 253.367 2.471 10 0 CEAERO CC[NH2+][C@H](c1ccc2c(c1)CC(=O)N2)C1CCOCC1 ZINC000061671886 520209663 /nfs/dbraw/zinc/20/96/63/520209663.db2.gz GECQEFXJDIXOAP-INIZCTEOSA-N 1 0 274.364 2.258 10 0 CEAERO CCCCC[NH2+]CCOc1cccc(S(C)(=O)=O)c1 ZINC000053589314 520223895 /nfs/dbraw/zinc/22/38/95/520223895.db2.gz VBHPERULERUCMZ-UHFFFAOYSA-N 1 0 285.409 2.249 10 0 CEAERO CC[NH2+][C@](C)(CCCCn1ncc2ccccc21)C(N)=O ZINC000050528496 520228004 /nfs/dbraw/zinc/22/80/04/520228004.db2.gz FWGPEMYUPUNNKT-MRXNPFEDSA-N 1 0 288.395 2.060 10 0 CEAERO CCN[C@](C)(C[C@@H](C)[N@H+](C)[C@@H]1CCCC[C@@H]1C)C(N)=O ZINC000068635786 520236819 /nfs/dbraw/zinc/23/68/19/520236819.db2.gz RQTQPYZGSQNCMA-DSJMHWKBSA-N 1 0 283.460 2.129 10 0 CEAERO CCN[C@](C[N@H+](C)[C@@H](C)CC(C)C)(C(=O)OC)C1CC1 ZINC000069140044 520245396 /nfs/dbraw/zinc/24/53/96/520245396.db2.gz LNHPWDXXAHTFOL-BBRMVZONSA-N 1 0 284.444 2.284 10 0 CEAERO CC[NH2+][C@](CSC1CCCCC1)(C(N)=O)C1CC1 ZINC000069188458 520252265 /nfs/dbraw/zinc/25/22/65/520252265.db2.gz RKXWFKKDPNSIGK-AWEZNQCLSA-N 1 0 270.442 2.296 10 0 CEAERO CCNc1cc(C(=O)NCCCC[N@H+](C)C(C)C)ccn1 ZINC000050779044 520261773 /nfs/dbraw/zinc/26/17/73/520261773.db2.gz PDWCVSYKCLRSDK-UHFFFAOYSA-N 1 0 292.427 2.364 10 0 CEAERO CCNc1cc(C(=O)N[C@@H](C)CC[NH+](C)C)cc(Cl)n1 ZINC000050788281 520262987 /nfs/dbraw/zinc/26/29/87/520262987.db2.gz LIQJYTPDZMFFTM-JTQLQIEISA-N 1 0 298.818 2.237 10 0 CEAERO CCNc1ccc(C(=O)N(C)C2CC[NH+](CC)CC2)cn1 ZINC000050786069 520279563 /nfs/dbraw/zinc/27/95/63/520279563.db2.gz HVNQEEFIOJDTNE-UHFFFAOYSA-N 1 0 290.411 2.070 10 0 CEAERO CCO[C@@H](C[NH3+])COc1ccc(C(F)(F)F)cc1 ZINC000062740374 520310831 /nfs/dbraw/zinc/31/08/31/520310831.db2.gz XKNQVJAGKWRYGD-NSHDSACASA-N 1 0 263.259 2.448 10 0 CEAERO CCO[C@@H](C[NH3+])CN(Cc1cccs1)C1CC1 ZINC000062739722 520309958 /nfs/dbraw/zinc/30/99/58/520309958.db2.gz JFFSHMXORXTPIB-LBPRGKRZSA-N 1 0 254.399 2.076 10 0 CEAERO CCO[C@@H](C[NH3+])COc1ccc(Br)cc1 ZINC000062740418 520310549 /nfs/dbraw/zinc/31/05/49/520310549.db2.gz VZDYZQDLJYOAIU-NSHDSACASA-N 1 0 274.158 2.192 10 0 CEAERO CCNc1nc(C[N@@H+]2CCC[C@H]2CC)nc2c1cnn2C ZINC000063077514 520355848 /nfs/dbraw/zinc/35/58/48/520355848.db2.gz QASFTDBMYXVRPH-LLVKDONJSA-N 1 0 288.399 2.170 10 0 CEAERO CCNc1nc2cc(OC)ccc2cc1C[N@H+](C)CCO ZINC000050814496 520360506 /nfs/dbraw/zinc/36/05/06/520360506.db2.gz ODPADZBLONQCBO-UHFFFAOYSA-N 1 0 289.379 2.099 10 0 CEAERO CCNc1ncccc1C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000050777053 520376164 /nfs/dbraw/zinc/37/61/64/520376164.db2.gz BJRBJBKGCQKKNB-CYBMUJFWSA-N 1 0 292.427 2.220 10 0 CEAERO CC1(C)CCN(S(=O)(=O)Cc2ccccc2C[NH3+])CC1 ZINC000061820372 520381769 /nfs/dbraw/zinc/38/17/69/520381769.db2.gz DRLJOZFLOAAKMV-UHFFFAOYSA-N 1 0 296.436 2.097 10 0 CEAERO CCN(CC(F)(F)F)C(=O)C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000055137075 520414244 /nfs/dbraw/zinc/41/42/44/520414244.db2.gz RDHNBWBWRWDOTK-ZJUUUORDSA-N 1 0 266.307 2.305 10 0 CEAERO CCCOc1ccc([C@@H](C[NH3+])NC(=O)OCC)cc1 ZINC000052919370 520417575 /nfs/dbraw/zinc/41/75/75/520417575.db2.gz NJHIEKKJASTVNN-CYBMUJFWSA-N 1 0 266.341 2.221 10 0 CEAERO CCCOc1ccc([C@@H]2[C@@H]([NH3+])CCC(=O)N2CC)cc1 ZINC000062211359 520424385 /nfs/dbraw/zinc/42/43/85/520424385.db2.gz VJDFCILISQCCCS-GOEBONIOSA-N 1 0 276.380 2.486 10 0 CEAERO CCCOc1cccc(C(=O)N[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000061668081 520445687 /nfs/dbraw/zinc/44/56/87/520445687.db2.gz BFEHFXJHUAXLME-CABCVRRESA-N 1 0 276.380 2.475 10 0 CEAERO CCCOc1cccc([C@@H](C[NH3+])NC(=O)OCC)c1 ZINC000052920807 520465533 /nfs/dbraw/zinc/46/55/33/520465533.db2.gz ARLYEQHTHMFFTN-CYBMUJFWSA-N 1 0 266.341 2.221 10 0 CEAERO CCCOc1ccccc1NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000062892107 520482195 /nfs/dbraw/zinc/48/21/95/520482195.db2.gz CBDXIIDZGBVUAT-HNNXBMFYSA-N 1 0 262.353 2.414 10 0 CEAERO CCN(CC)C(=O)COc1cccc2c1CC[C@H]2[NH2+]C ZINC000062799343 520491877 /nfs/dbraw/zinc/49/18/77/520491877.db2.gz ORMKZIVMTUGMKS-CQSZACIVSA-N 1 0 276.380 2.141 10 0 CEAERO CC1(C)CN(c2cc(C(N)=[NH2+])c3ccccc3n2)CCO1 ZINC000068797771 520492552 /nfs/dbraw/zinc/49/25/52/520492552.db2.gz HZQXSEFHDCAKTE-UHFFFAOYSA-N 1 0 284.363 2.134 10 0 CEAERO CCN(CC)C(=O)[C@@H](C[NH3+])Cc1cc2ccccc2o1 ZINC000068811093 520522680 /nfs/dbraw/zinc/52/26/80/520522680.db2.gz RAECYDHQROGRST-CYBMUJFWSA-N 1 0 274.364 2.419 10 0 CEAERO CCN(CC)C(=O)[C@@H](C[NH3+])Cc1cccc(C)c1C ZINC000050304801 520522780 /nfs/dbraw/zinc/52/27/80/520522780.db2.gz KIEKRLYWYLXCND-OAHLLOKOSA-N 1 0 262.397 2.289 10 0 CEAERO CCO[C@H]1CCCN(c2cc(C)ccc2C(N)=[NH2+])C1 ZINC000051579514 520526960 /nfs/dbraw/zinc/52/69/60/520526960.db2.gz MCLVYFBIGABOPG-LBPRGKRZSA-N 1 0 261.369 2.284 10 0 CEAERO CCN(CC)C(=O)[C@H](C[NH3+])Cc1cc2ccccc2o1 ZINC000068811091 520535974 /nfs/dbraw/zinc/53/59/74/520535974.db2.gz RAECYDHQROGRST-ZDUSSCGKSA-N 1 0 274.364 2.419 10 0 CEAERO CC1(C)[C@@H]2CC[C@@]1(C)[C@H]([NH2+][C@@H]1CCCNC1=O)C2 ZINC000062351170 520642167 /nfs/dbraw/zinc/64/21/67/520642167.db2.gz DDHLTSABYFLBCP-BLTAXRJOSA-N 1 0 250.386 2.069 10 0 CEAERO CCN(CC)CC[NH2+]CCn1cnc2cc(F)c(F)cc21 ZINC000053531113 520687454 /nfs/dbraw/zinc/68/74/54/520687454.db2.gz LNNPRWGHTYEUDH-UHFFFAOYSA-N 1 0 296.365 2.246 10 0 CEAERO CC[NH+](CC)CCN[C@]1(C(=O)OC)CC[C@@H](C)C[C@@H]1C ZINC000068631291 520690541 /nfs/dbraw/zinc/69/05/41/520690541.db2.gz YCXAKOBQOKOBHJ-IJEWVQPXSA-N 1 0 284.444 2.286 10 0 CEAERO CCOc1cc(CC[NH3+])ccc1OC1CCOCC1 ZINC000069310485 520693553 /nfs/dbraw/zinc/69/35/53/520693553.db2.gz UFPYMXAKWRGGIR-UHFFFAOYSA-N 1 0 265.353 2.144 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)N[C@@H](C)Cc1ccc(F)cc1 ZINC000062053693 520704472 /nfs/dbraw/zinc/70/44/72/520704472.db2.gz OHRDWXMLKHQPAK-AAEUAGOBSA-N 1 0 266.360 2.248 10 0 CEAERO CCOc1cc(C[NH2+]C)ccc1OC[C@@H](O)C(F)(F)F ZINC000068876093 520708856 /nfs/dbraw/zinc/70/88/56/520708856.db2.gz JZGSDLDNTYZSOF-GFCCVEGCSA-N 1 0 293.285 2.107 10 0 CEAERO CCC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]CC ZINC000061702694 520709936 /nfs/dbraw/zinc/70/99/36/520709936.db2.gz BCRJXEISPDDTOA-LBPRGKRZSA-N 1 0 255.383 2.239 10 0 CEAERO CCCCOC(=O)COc1ccc(C[NH2+]CCOC)cc1 ZINC000062729187 520713811 /nfs/dbraw/zinc/71/38/11/520713811.db2.gz FQUBJMXAGQTZDA-UHFFFAOYSA-N 1 0 295.379 2.145 10 0 CEAERO CCN(CC)C[C@H](C)[NH2+]C[C@H](O)COCCCC(C)C ZINC000045704292 520736035 /nfs/dbraw/zinc/73/60/35/520736035.db2.gz WLSJZRIUCKFEKV-HOTGVXAUSA-N 1 0 288.476 2.120 10 0 CEAERO CC[NH+](CC)[C@H]1CCN(Cc2ccc(C(N)=S)cc2)C1 ZINC000062980059 520874449 /nfs/dbraw/zinc/87/44/49/520874449.db2.gz XYUIHAHXKNRFSB-HNNXBMFYSA-N 1 0 291.464 2.237 10 0 CEAERO CCC[C@@]1(C(=O)NCCOc2ccccc2)CCC[NH2+]C1 ZINC000062860213 520942362 /nfs/dbraw/zinc/94/23/62/520942362.db2.gz DGMNINJGVZBMIV-QGZVFWFLSA-N 1 0 290.407 2.352 10 0 CEAERO CCC[C@@]1(C(=O)NCc2ccc(C)s2)CC[NH2+]C1 ZINC000062903279 520942375 /nfs/dbraw/zinc/94/23/75/520942375.db2.gz CCEBQKYTOFYROG-CQSZACIVSA-N 1 0 266.410 2.453 10 0 CEAERO CCC[C@@]1(C(=O)NCCc2cccs2)CC[NH2+]C1 ZINC000062889354 520942735 /nfs/dbraw/zinc/94/27/35/520942735.db2.gz OQPGOTGTZXFFJM-CQSZACIVSA-N 1 0 266.410 2.187 10 0 CEAERO CCOc1ccc(CC[NH2+]CCOC)cc1OCC ZINC000052684357 520954861 /nfs/dbraw/zinc/95/48/61/520954861.db2.gz RPRGGZGFJPPMKY-UHFFFAOYSA-N 1 0 267.369 2.263 10 0 CEAERO CC[N@H+](CC1CC1)[C@H](C)C(=O)Nc1ccccc1N ZINC000069237126 520967776 /nfs/dbraw/zinc/96/77/76/520967776.db2.gz HIUFPTKFWODTLM-LLVKDONJSA-N 1 0 261.369 2.328 10 0 CEAERO CCOC(=O)[C@@H](C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C)cc1 ZINC000049495656 521017212 /nfs/dbraw/zinc/01/72/12/521017212.db2.gz TYYGPBNWPUIICS-GHMZBOCLSA-N 1 0 293.367 2.040 10 0 CEAERO CCN(CCOC)[C@H](C[NH3+])c1cc2ccccc2o1 ZINC000068811577 521137525 /nfs/dbraw/zinc/13/75/25/521137525.db2.gz MVTJLCVDRAMRTG-CYBMUJFWSA-N 1 0 262.353 2.401 10 0 CEAERO CCOC(=O)[C@@](C)(C[C@H](C)[N@H+](C)CC1CC1)NC(C)C ZINC000068627726 521149532 /nfs/dbraw/zinc/14/95/32/521149532.db2.gz MBANTJAGDYKAAP-XJKSGUPXSA-N 1 0 284.444 2.427 10 0 CEAERO CCOC(=O)[C@@](C)([NH3+])CCCO[C@@H](C)CC(C)C ZINC000045503795 521152509 /nfs/dbraw/zinc/15/25/09/521152509.db2.gz GKXKRDNNTBTSMS-JSGCOSHPSA-N 1 0 259.390 2.498 10 0 CEAERO CCC[C@H]([NH2+]C[C@H](C)N1CCOCC1)c1cccnc1 ZINC000184934053 521160665 /nfs/dbraw/zinc/16/06/65/521160665.db2.gz KCHQAEKSPRFXLH-HOCLYGCPSA-N 1 0 277.412 2.233 10 0 CEAERO CCC[C@H](O)[C@H](CC)[NH+]1CCN(CC(C)C)CC1 ZINC000055080869 521190983 /nfs/dbraw/zinc/19/09/83/521190983.db2.gz HCSXQONIZHWORH-GJZGRUSLSA-N 1 0 256.434 2.200 10 0 CEAERO CC[N@H+](C[C@@H](N)c1ccc2c(c1)OCCO2)CC1CC1 ZINC000069237689 521215291 /nfs/dbraw/zinc/21/52/91/521215291.db2.gz GFORPDOVSCLXNJ-CQSZACIVSA-N 1 0 276.380 2.190 10 0 CEAERO CCN(C[C@@H]1CCCO1)[C@@H](C[NH2+]C1CC1)C(C)C ZINC000052510502 521228098 /nfs/dbraw/zinc/22/80/98/521228098.db2.gz UAPRMCDDNQZOLZ-GJZGRUSLSA-N 1 0 254.418 2.264 10 0 CEAERO CCOc1ccc([C@@](O)(C[NH3+])C(F)(F)F)cc1OCC ZINC000062784461 521250592 /nfs/dbraw/zinc/25/05/92/521250592.db2.gz ZUIXIVAWPMDXMR-LBPRGKRZSA-N 1 0 293.285 2.193 10 0 CEAERO CCC[C@](C)(CO)CN1CC[NH+]([C@H](C)CC)CC1 ZINC000055072951 521268326 /nfs/dbraw/zinc/26/83/26/521268326.db2.gz CYGQIWSNXQYPCQ-CABCVRRESA-N 1 0 256.434 2.201 10 0 CEAERO CCC(C)(C)N(C)S(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000069446306 521306579 /nfs/dbraw/zinc/30/65/79/521306579.db2.gz ZAHBJZNSOGNNII-UHFFFAOYSA-N 1 0 284.425 2.096 10 0 CEAERO CCOC(=O)[C@](C)(C[C@H](C)[NH+]1CCCCC1)NC1CC1 ZINC000068620340 521324150 /nfs/dbraw/zinc/32/41/50/521324150.db2.gz LZYWACPSFCCKQL-BBRMVZONSA-N 1 0 282.428 2.325 10 0 CEAERO CCCc1cc(N2CCC[C@@H]2C[NH2+]C2CC2)ncn1 ZINC000053695179 521368825 /nfs/dbraw/zinc/36/88/25/521368825.db2.gz ZQFNBBYMTCREIS-CQSZACIVSA-N 1 0 260.385 2.150 10 0 CEAERO CCN(Cc1ccco1)C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000062857102 521398575 /nfs/dbraw/zinc/39/85/75/521398575.db2.gz VHXQPLNYRJIASD-CQSZACIVSA-N 1 0 250.342 2.018 10 0 CEAERO CCOc1ccccc1C(=O)N1CCCC[C@H]1C[NH2+]C ZINC000063167534 521452366 /nfs/dbraw/zinc/45/23/66/521452366.db2.gz DTCRVNLIRHIFEX-ZDUSSCGKSA-N 1 0 276.380 2.299 10 0 CEAERO CCN(Cc1ncccn1)C1(C[NH3+])CCCCCC1 ZINC000054458707 521460389 /nfs/dbraw/zinc/46/03/89/521460389.db2.gz NICWANFUWICQDU-UHFFFAOYSA-N 1 0 262.401 2.350 10 0 CEAERO CCCc1nc(C)c([C@H](C)C[NH2+]CCOC)c(C)n1 ZINC000054855191 521502242 /nfs/dbraw/zinc/50/22/42/521502242.db2.gz HWNJEZZEYFTRMB-LLVKDONJSA-N 1 0 265.401 2.385 10 0 CEAERO CCN(c1ccccc1C[NH2+]CCOC)[C@@H](C)COC ZINC000062737916 521502582 /nfs/dbraw/zinc/50/25/82/521502582.db2.gz QFENBMQDUJPALD-AWEZNQCLSA-N 1 0 280.412 2.284 10 0 CEAERO CCOC(=O)c1ccc(NC[C@H]([NH3+])c2ccccc2)nc1 ZINC000062838597 521518715 /nfs/dbraw/zinc/51/87/15/521518715.db2.gz PMVCKHDSNQTCAW-AWEZNQCLSA-N 1 0 285.347 2.370 10 0 CEAERO CCCc1nc(N2CCOCC2)sc1C[NH2+]CC ZINC000054995170 521532994 /nfs/dbraw/zinc/53/29/94/521532994.db2.gz YEIGPNTXWVACSA-UHFFFAOYSA-N 1 0 269.414 2.042 10 0 CEAERO CCC(CC)[N@H+](CCO)Cc1cc(F)ccc1C(N)=S ZINC000069402963 521552399 /nfs/dbraw/zinc/55/23/99/521552399.db2.gz CHTCKSQHSRMUGE-UHFFFAOYSA-N 1 0 298.427 2.443 10 0 CEAERO CCC(CC)N(CCOC)C(=O)[C@H]1CCC[C@@H](C[NH3+])C1 ZINC000055161247 521556875 /nfs/dbraw/zinc/55/68/75/521556875.db2.gz ZYOVWVQWZRYTEC-KGLIPLIRSA-N 1 0 284.444 2.415 10 0 CEAERO CCC(CC)N(CCOC)Cc1csc(C[NH2+]C)n1 ZINC000052573252 521562697 /nfs/dbraw/zinc/56/26/97/521562697.db2.gz IQUXULNMNKLACH-UHFFFAOYSA-N 1 0 285.457 2.500 10 0 CEAERO CCOc1ccccc1OCc1cccnc1C(N)=[NH2+] ZINC000061658661 521568873 /nfs/dbraw/zinc/56/88/73/521568873.db2.gz HXMZYUVEPKEAIB-UHFFFAOYSA-N 1 0 271.320 2.343 10 0 CEAERO CCCN(CC(F)(F)F)C(=O)C[C@H](C)[NH2+]CC ZINC000061272266 521584137 /nfs/dbraw/zinc/58/41/37/521584137.db2.gz QXOHYGDQFFVVDH-VIFPVBQESA-N 1 0 254.296 2.175 10 0 CEAERO CCC(CC)[C@@H](CNCc1c[nH]c(C)n1)[NH+](C)C ZINC000054821549 521605186 /nfs/dbraw/zinc/60/51/86/521605186.db2.gz IMUYMCGGWBYECJ-CQSZACIVSA-N 1 0 252.406 2.174 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCn3cccc3[C@@H]2C)C1 ZINC000052593510 521619096 /nfs/dbraw/zinc/61/90/96/521619096.db2.gz IFOVKIMUKIZAFR-UONOGXRCSA-N 1 0 290.411 2.059 10 0 CEAERO CCC[N@H+](CC1CC1)C[C@](NC(C)C)(C(=O)OC)C1CC1 ZINC000069131913 521624244 /nfs/dbraw/zinc/62/42/44/521624244.db2.gz IDSASSRNLIGOGQ-QGZVFWFLSA-N 1 0 296.455 2.428 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2c(F)cc(N)cc2F)C1 ZINC000049193328 521625234 /nfs/dbraw/zinc/62/52/34/521625234.db2.gz GMUCGFNDMXGRES-SNVBAGLBSA-N 1 0 255.312 2.443 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2ccc(N)c(OC(C)C)n2)C1 ZINC000049193154 521625716 /nfs/dbraw/zinc/62/57/16/521625716.db2.gz SALOPODFAHLPRN-GFCCVEGCSA-N 1 0 278.400 2.347 10 0 CEAERO CCOC1CCN([C@H](C[NH3+])CCc2ccccc2)CC1 ZINC000061624770 521656752 /nfs/dbraw/zinc/65/67/52/521656752.db2.gz XHCSIEDBAGRGAA-INIZCTEOSA-N 1 0 276.424 2.447 10 0 CEAERO CCC1(C(=O)NCc2ccc(F)cc2)CC[NH2+]CC1 ZINC000062847755 521668615 /nfs/dbraw/zinc/66/86/15/521668615.db2.gz PJRFZLXMSLSVAD-UHFFFAOYSA-N 1 0 264.344 2.222 10 0 CEAERO CCC1(CC)CC[NH+](C[C@@](NC)(C(=O)OC)C2CC2)CC1 ZINC000069232557 521687953 /nfs/dbraw/zinc/68/79/53/521687953.db2.gz VTQBQEURMGCCIG-KRWDZBQOSA-N 1 0 296.455 2.430 10 0 CEAERO CCCN(Cc1cccnc1C(N)=[NH2+])CC(F)(F)F ZINC000061658308 521690494 /nfs/dbraw/zinc/69/04/94/521690494.db2.gz RKAHVAJCXIEXEF-UHFFFAOYSA-N 1 0 274.290 2.140 10 0 CEAERO CCS(=O)(=O)c1ccccc1N[C@H]1CCCC[NH2+]C1 ZINC000070121092 521693915 /nfs/dbraw/zinc/69/39/15/521693915.db2.gz SYYAUXKSIAAOKY-LBPRGKRZSA-N 1 0 282.409 2.034 10 0 CEAERO CCNC(=O)CCOc1cc(F)ccc1[C@@H](C)[NH2+]CC ZINC000062746859 521735914 /nfs/dbraw/zinc/73/59/14/521735914.db2.gz WMTMWNJWJGSVNP-LLVKDONJSA-N 1 0 282.359 2.401 10 0 CEAERO COc1c(C)cnc(C[N@@H+]2CCC[C@H]2CCCO)c1C ZINC000052762760 521808744 /nfs/dbraw/zinc/80/87/44/521808744.db2.gz XKSIESYHTGDIHZ-AWEZNQCLSA-N 1 0 278.396 2.444 10 0 CEAERO COc1c(C)cnc(CN2CC[NH2+]C[C@]2(C)C2CC2)c1C ZINC000068696413 521812390 /nfs/dbraw/zinc/81/23/90/521812390.db2.gz UHMFMNSREGTFBC-QGZVFWFLSA-N 1 0 289.423 2.281 10 0 CEAERO COCC[C@@H]([NH3+])Cc1sccc1Br ZINC000053832813 521830722 /nfs/dbraw/zinc/83/07/22/521830722.db2.gz WGDAVVCJYWKGPO-SSDOTTSWSA-N 1 0 264.188 2.417 10 0 CEAERO COCC[C@@H]([NH3+])Cc1cc(Br)ccc1OC ZINC000049599990 521832650 /nfs/dbraw/zinc/83/26/50/521832650.db2.gz VAVQIRNVLLZYET-LLVKDONJSA-N 1 0 288.185 2.364 10 0 CEAERO C[NH+](C)Cc1ccc(NC(=O)c2csc(N)n2)cc1 ZINC000055186631 521910151 /nfs/dbraw/zinc/91/01/51/521910151.db2.gz USPOVFGQGAKABO-UHFFFAOYSA-N 1 0 276.365 2.039 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000061317566 521934734 /nfs/dbraw/zinc/93/47/34/521934734.db2.gz DGGWGSWRWDIHNL-NHYWBVRUSA-N 1 0 252.402 2.412 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N1CCc2sccc2[C@@H]1C ZINC000061317870 521934889 /nfs/dbraw/zinc/93/48/89/521934889.db2.gz URVZNADYOLXCIG-VIFPVBQESA-N 1 0 252.383 2.192 10 0 CEAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(NC(=O)C(C)C)cc1 ZINC000061300758 521943348 /nfs/dbraw/zinc/94/33/48/521943348.db2.gz VDSBTJPRFSBEPF-UHFFFAOYSA-N 1 0 277.368 2.218 10 0 CEAERO COCC[C@H]([NH3+])C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000052792460 521944567 /nfs/dbraw/zinc/94/45/67/521944567.db2.gz ANXYWQANNWJPLK-WBMJQRKESA-N 1 0 290.407 2.106 10 0 CEAERO CCc1ccccc1[C@H](C[NH3+])N(CCOC)C1CC1 ZINC000052203774 521953768 /nfs/dbraw/zinc/95/37/68/521953768.db2.gz NWBZCDIEOHZWBV-INIZCTEOSA-N 1 0 262.397 2.360 10 0 CEAERO C[NH2+]CC1(CN(C)c2ccc(F)cc2)CCOCC1 ZINC000052182898 521968844 /nfs/dbraw/zinc/96/88/44/521968844.db2.gz WALWKGDKQDZUKF-UHFFFAOYSA-N 1 0 266.360 2.278 10 0 CEAERO C[NH2+]CC1(CN(C)c2ccccc2C)CCOCC1 ZINC000052183102 521969958 /nfs/dbraw/zinc/96/99/58/521969958.db2.gz OGKYZYRXSJBNEY-UHFFFAOYSA-N 1 0 262.397 2.447 10 0 CEAERO C[NH2+]CCc1nc(-c2ccc(F)c(Cl)c2)no1 ZINC000062790954 522021541 /nfs/dbraw/zinc/02/15/41/522021541.db2.gz KUSQTBAJKHHHNF-UHFFFAOYSA-N 1 0 255.680 2.291 10 0 CEAERO C[NH2+]C[C@@H](C)N(C)Cc1cccc(Br)c1 ZINC000052545088 522031600 /nfs/dbraw/zinc/03/16/00/522031600.db2.gz KBSQZKCXTWFGGS-SNVBAGLBSA-N 1 0 271.202 2.489 10 0 CEAERO COC(=O)c1ccc(C[NH2+][C@@H](C)[C@@H]2CCCO2)cc1F ZINC000183156588 522033530 /nfs/dbraw/zinc/03/35/30/522033530.db2.gz JBKMFSLFLWIWJU-HZMBPMFUSA-N 1 0 281.327 2.269 10 0 CEAERO COC(=O)c1ccc(C[NH2+][C@H](C)CN2CCCC2)cc1 ZINC000049149497 522036897 /nfs/dbraw/zinc/03/68/97/522036897.db2.gz ZFFMULYJJFNSJR-CYBMUJFWSA-N 1 0 276.380 2.047 10 0 CEAERO C[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000053012879 522056391 /nfs/dbraw/zinc/05/63/91/522056391.db2.gz MFXJHRXGFWQVPM-JTQLQIEISA-N 1 0 269.186 2.495 10 0 CEAERO C[NH2+]C[C@H](C)N1CCN(c2ccccc2Cl)CC1 ZINC000052443356 522072136 /nfs/dbraw/zinc/07/21/36/522072136.db2.gz HEKAKWHFMKUYPM-LBPRGKRZSA-N 1 0 267.804 2.070 10 0 CEAERO C[NH2+]C[C@H](Cc1cc(C)ccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000052950091 522074379 /nfs/dbraw/zinc/07/43/79/522074379.db2.gz SHFWKYOIWKGPRX-HOCLYGCPSA-N 1 0 295.448 2.116 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1C(=O)COc1ccc(Cl)cc1 ZINC000063167442 522078513 /nfs/dbraw/zinc/07/85/13/522078513.db2.gz RGKYLPDWCDLYGJ-CYBMUJFWSA-N 1 0 296.798 2.319 10 0 CEAERO C[NH2+]Cc1c(C)cc(C)nc1-n1ccc(C2CC2)n1 ZINC000052885243 522099043 /nfs/dbraw/zinc/09/90/43/522099043.db2.gz KOXBLWRYDLQMTH-UHFFFAOYSA-N 1 0 256.353 2.481 10 0 CEAERO C[NH2+]Cc1ccoc1Cn1cc(Br)cn1 ZINC000052577428 522141927 /nfs/dbraw/zinc/14/19/27/522141927.db2.gz NHWVOFUQBHJXRB-UHFFFAOYSA-N 1 0 270.130 2.006 10 0 CEAERO CC[C@@H](C)NC(=O)CC[NH2+][C@H](C)Cc1ccco1 ZINC000062771889 522153409 /nfs/dbraw/zinc/15/34/09/522153409.db2.gz YAOWNOKTWZSDHW-VXGBXAGGSA-N 1 0 252.358 2.105 10 0 CEAERO C[NH2+]Cc1oc2ccccc2c1CN1CCO[C@@H](C)C1 ZINC000052382403 522160786 /nfs/dbraw/zinc/16/07/86/522160786.db2.gz CKHFNOYCRCCBNM-LBPRGKRZSA-N 1 0 274.364 2.373 10 0 CEAERO CC[C@H](C[NH2+]C(C)(C)C)N(CCCOC)CCOC ZINC000052543208 522188209 /nfs/dbraw/zinc/18/82/09/522188209.db2.gz PGUGVAMBMPXJRI-CQSZACIVSA-N 1 0 274.449 2.138 10 0 CEAERO CC[C@H](C[NH2+]C1CC1)n1cc(Br)cn1 ZINC000052577677 522195388 /nfs/dbraw/zinc/19/53/88/522195388.db2.gz PZXGZGYQCFUODA-SNVBAGLBSA-N 1 0 258.163 2.349 10 0 CEAERO COC[C@@H](C)O[C@@H](c1ccc(OC)cc1)[C@@H](C)[NH3+] ZINC000070204897 522260169 /nfs/dbraw/zinc/26/01/69/522260169.db2.gz KAUZJINCLWASCG-JTNHKYCSSA-N 1 0 253.342 2.135 10 0 CEAERO C[NH2+][C@@H](C)C(=O)Nc1cccc(NC(=O)C(C)(C)C)c1 ZINC000054076439 522320839 /nfs/dbraw/zinc/32/08/39/522320839.db2.gz RQOOZQLYGSSDOM-JTQLQIEISA-N 1 0 277.368 2.218 10 0 CEAERO C[NH2+][C@@H](C)c1cccc(NC(=O)C2CCOCC2)c1 ZINC000061671098 522334282 /nfs/dbraw/zinc/33/42/82/522334282.db2.gz XIDMZRCSQBXKCX-NSHDSACASA-N 1 0 262.353 2.332 10 0 CEAERO CC[C@H]([NH3+])Cc1cnn(Cc2ccc(F)cc2F)c1 ZINC000054741609 522334944 /nfs/dbraw/zinc/33/49/44/522334944.db2.gz ZVKBUOJNSRVLTM-ZDUSSCGKSA-N 1 0 265.307 2.489 10 0 CEAERO C[NH2+][C@@H](C)c1nnc(-c2ccc(OC)cc2OC)o1 ZINC000050618312 522338711 /nfs/dbraw/zinc/33/87/11/522338711.db2.gz NBUYUOOSSHHGJA-QMMMGPOBSA-N 1 0 263.297 2.034 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1nnc(C)o1)c1ccncc1 ZINC000051037812 522340043 /nfs/dbraw/zinc/34/00/43/522340043.db2.gz DSNXTTJMBOCOJH-QWRGUYRKSA-N 1 0 264.354 2.344 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1nnc(C)o1)C(F)(F)F ZINC000051038058 522344493 /nfs/dbraw/zinc/34/44/93/522344493.db2.gz OLAMQNFQPMFJOM-WDSKDSINSA-N 1 0 255.265 2.138 10 0 CEAERO CC[C@H]([NH3+])[C@](O)(c1ccc(F)cc1)C(F)(F)F ZINC000062784359 522345591 /nfs/dbraw/zinc/34/55/91/522345591.db2.gz LXSIWMBBMMBYGS-VHSXEESVSA-N 1 0 251.223 2.313 10 0 CEAERO CC[C@H](NC(=O)C(C)(C)[NH2+]C)c1ccccc1OC ZINC000061300855 522361377 /nfs/dbraw/zinc/36/13/77/522361377.db2.gz PCERHYLATBJCJC-LBPRGKRZSA-N 1 0 264.369 2.261 10 0 CEAERO C[NH2+][C@@H](Cn1ncccc1=O)c1cccc2ccccc21 ZINC000061402604 522364343 /nfs/dbraw/zinc/36/43/43/522364343.db2.gz OHDVOMGKYZENJB-INIZCTEOSA-N 1 0 279.343 2.357 10 0 CEAERO C[NH2+][C@@H](c1cc2c(cc1F)NC(=O)CC2)C1CCOCC1 ZINC000061671766 522367716 /nfs/dbraw/zinc/36/77/16/522367716.db2.gz IEMVEFDYVNOJRI-MRXNPFEDSA-N 1 0 292.354 2.398 10 0 CEAERO C[NH2+][C@@H](c1ccnn1C)c1ccc2ccccc2n1 ZINC000069468123 522372629 /nfs/dbraw/zinc/37/26/29/522372629.db2.gz XKQHIYYEQAIZAF-OAHLLOKOSA-N 1 0 252.321 2.277 10 0 CEAERO C[NH2+][C@@H](c1nccn1C)c1ccc2ncccc2c1 ZINC000061418642 522375858 /nfs/dbraw/zinc/37/58/58/522375858.db2.gz RCFMQQYRLGTAFQ-CQSZACIVSA-N 1 0 252.321 2.277 10 0 CEAERO C[NH2+][C@@H]1CCC2(C[C@@H]1OCc1ccccc1F)OCCO2 ZINC000069283464 522376590 /nfs/dbraw/zinc/37/65/90/522376590.db2.gz ROJPFSBUEIWHHU-CABCVRRESA-N 1 0 295.354 2.226 10 0 CEAERO CCc1nc(N2C[C@H](C)OC(C)(C)C2)sc1C[NH2+]C ZINC000055000486 522390965 /nfs/dbraw/zinc/39/09/65/522390965.db2.gz LJHPHOMAUKHPQA-JTQLQIEISA-N 1 0 283.441 2.429 10 0 CEAERO CN[C@@](C[N@@H+]1CCC[C@@H]1C1CCCC1)(C(=O)OC)C1CC1 ZINC000069132014 522425841 /nfs/dbraw/zinc/42/58/41/522425841.db2.gz NPRJCMDJWNXVBD-NVXWUHKLSA-N 1 0 294.439 2.182 10 0 CEAERO C[NH2+][C@H](C)C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000052395617 522438357 /nfs/dbraw/zinc/43/83/57/522438357.db2.gz BLCNBGMWQSCQHG-RKDXNWHRSA-N 1 0 285.185 2.234 10 0 CEAERO C[NH2+][C@H](CCSc1ccc2ccccc2c1)C(N)=O ZINC000062600582 522464702 /nfs/dbraw/zinc/46/47/02/522464702.db2.gz BYARXWGYQCUARH-CQSZACIVSA-N 1 0 274.389 2.395 10 0 CEAERO COc1cc(C[NH2+][C@@H](CN(C)C)C(C)C)ccc1O ZINC000049195050 522477638 /nfs/dbraw/zinc/47/76/38/522477638.db2.gz GZUIGSXVMCZNEQ-ZDUSSCGKSA-N 1 0 266.385 2.077 10 0 CEAERO C[NH2+][C@H](c1ccc(OC)cc1Cl)[C@@H]1COCCO1 ZINC000055300795 522482996 /nfs/dbraw/zinc/48/29/96/522482996.db2.gz WIHOLQGGVOPUFU-QWHCGFSZSA-N 1 0 271.744 2.025 10 0 CEAERO CCc1nc2ccccc2n1[C@@H](C)C[NH2+]CCOC ZINC000062808185 522503910 /nfs/dbraw/zinc/50/39/10/522503910.db2.gz RHDXDPPZAOBOQK-LBPRGKRZSA-N 1 0 261.369 2.396 10 0 CEAERO CCc1nc2ccccc2n1[C@H](C)C[C@](C)([NH3+])C(=O)OC ZINC000068650182 522507662 /nfs/dbraw/zinc/50/76/62/522507662.db2.gz CZMRLHYUDHQVNW-BZNIZROVSA-N 1 0 289.379 2.440 10 0 CEAERO C[NH2+][C@](COc1cccc(C(C)(C)C)c1)(C(N)=O)C1CC1 ZINC000069198008 522530858 /nfs/dbraw/zinc/53/08/58/522530858.db2.gz SOTRPCMUOFCWJH-KRWDZBQOSA-N 1 0 290.407 2.216 10 0 CEAERO CC[C@@H](C[NH2+]CCOC)Cc1ccc(OC)cc1 ZINC000054666943 522547276 /nfs/dbraw/zinc/54/72/76/522547276.db2.gz ASXPTLXDCIPHNW-CYBMUJFWSA-N 1 0 251.370 2.500 10 0 CEAERO CC[C@H]([NH2+]C)c1cnn(CCOCC(F)(F)F)c1 ZINC000054722197 522556695 /nfs/dbraw/zinc/55/66/95/522556695.db2.gz IJEWFKUSVMAYHO-JTQLQIEISA-N 1 0 265.279 2.133 10 0 CEAERO CNc1ccc(C(=O)NCCCC[NH+](C)C)cc1C ZINC000063057722 522588539 /nfs/dbraw/zinc/58/85/39/522588539.db2.gz QFZBXNMRQBOAOO-UHFFFAOYSA-N 1 0 263.385 2.108 10 0 CEAERO CNc1ccc(C)cc1C(=O)N[C@@H](C)C[NH+]1CCCC1 ZINC000053004847 522604710 /nfs/dbraw/zinc/60/47/10/522604710.db2.gz REDVIRVOVOZYBA-ZDUSSCGKSA-N 1 0 275.396 2.251 10 0 CEAERO CNc1ccc(Cl)cc1C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000050777556 522625874 /nfs/dbraw/zinc/62/58/74/522625874.db2.gz WKRVVIQKYKOEKX-LLVKDONJSA-N 1 0 295.814 2.453 10 0 CEAERO CNc1ccc(Cl)cc1C(=O)NC[C@H](C)[NH+](C)C ZINC000050780026 522626962 /nfs/dbraw/zinc/62/69/62/522626962.db2.gz LKUIVSHWMHYCLI-VIFPVBQESA-N 1 0 269.776 2.062 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccc(O[C@@H](CC)C(N)=O)c(Cl)c1 ZINC000061678484 522643302 /nfs/dbraw/zinc/64/33/02/522643302.db2.gz IJVITEGBKJTADK-PWSUYJOCSA-N 1 0 284.787 2.263 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cccc(F)c1)N1CCCOCC1 ZINC000061914562 522653268 /nfs/dbraw/zinc/65/32/68/522653268.db2.gz ASOSFAIYNXNHHS-CABCVRRESA-N 1 0 266.360 2.326 10 0 CEAERO C[N@H+](CC1CCOCC1)[C@@H]1CNCc2ccccc21 ZINC000069267692 522665397 /nfs/dbraw/zinc/66/53/97/522665397.db2.gz WWQUXPSMNRQLLG-MRXNPFEDSA-N 1 0 260.381 2.189 10 0 CEAERO CNc1ncc(C(=O)NCC(C)(C)C[NH+](C)C)cc1Cl ZINC000050719994 522697111 /nfs/dbraw/zinc/69/71/11/522697111.db2.gz HLUABTRDRYUJAL-UHFFFAOYSA-N 1 0 298.818 2.094 10 0 CEAERO CC[C@H]([NH2+][C@@H](C)c1cccc(Br)c1)C(N)=O ZINC000061676812 522698703 /nfs/dbraw/zinc/69/87/03/522698703.db2.gz LIEPTAIIHDREQJ-KWQFWETISA-N 1 0 285.185 2.364 10 0 CEAERO CNc1ncccc1C[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000052728507 522709761 /nfs/dbraw/zinc/70/97/61/522709761.db2.gz YWWNKDPZJBYZSU-LBPRGKRZSA-N 1 0 263.385 2.370 10 0 CEAERO COC1CCN(c2ccc(C[NH2+]C(C)C)cn2)CC1 ZINC000051443071 522710210 /nfs/dbraw/zinc/71/02/10/522710210.db2.gz HEMBQTWVTQFQLO-UHFFFAOYSA-N 1 0 263.385 2.195 10 0 CEAERO CN(CCC[C@H]1CCCC[NH2+]1)Cc1cscn1 ZINC000050953896 522786849 /nfs/dbraw/zinc/78/68/49/522786849.db2.gz YTLPELUNYYUXEO-GFCCVEGCSA-N 1 0 253.415 2.497 10 0 CEAERO COc1cc(OC)c(C[NH2+][C@H]2C[C@@H]2C)c(OC)c1 ZINC000052272849 522796868 /nfs/dbraw/zinc/79/68/68/522796868.db2.gz JREGPJPZLPAAHZ-CABZTGNLSA-N 1 0 251.326 2.210 10 0 CEAERO COC(=O)C1([NH2+]C(C)C)C2CC3CC(C2)CC1C3 ZINC000055026618 522854476 /nfs/dbraw/zinc/85/44/76/522854476.db2.gz GHCHABHOFLKRSQ-UHFFFAOYSA-N 1 0 251.370 2.352 10 0 CEAERO COC[C@](C)([NH3+])Cc1ccc(OC(F)(F)F)cc1 ZINC000053762055 522883693 /nfs/dbraw/zinc/88/36/93/522883693.db2.gz VCLPKMNIIKRLKV-LLVKDONJSA-N 1 0 263.259 2.492 10 0 CEAERO CN(CCO)c1ccc(F)cc1C[NH2+]C(C)(C)C ZINC000062736400 522887842 /nfs/dbraw/zinc/88/78/42/522887842.db2.gz PYJALPBGCURIPZ-UHFFFAOYSA-N 1 0 254.349 2.142 10 0 CEAERO COc1cc([C@H]([NH3+])c2ccnn2C)cc(Cl)c1OC ZINC000069467538 522952564 /nfs/dbraw/zinc/95/25/64/522952564.db2.gz KQNFIXHLUSDDEQ-LBPRGKRZSA-N 1 0 281.743 2.139 10 0 CEAERO C[N@H+](CCc1ccncc1)C[C@@](C)(N)c1ccccc1 ZINC000052883358 522977547 /nfs/dbraw/zinc/97/75/47/522977547.db2.gz SOEKUVLAAGSQOO-QGZVFWFLSA-N 1 0 269.392 2.430 10 0 CEAERO CN(C[C@@H]1CCCCO1)C[C@@](C)([NH3+])c1ccccc1 ZINC000052883470 523034975 /nfs/dbraw/zinc/03/49/75/523034975.db2.gz MEPLQRBDHJSSNL-JKSUJKDBSA-N 1 0 262.397 2.361 10 0 CEAERO COC(=O)CC[N@H+](C)CCOc1cc(C)cc(C)c1 ZINC000049538386 523059317 /nfs/dbraw/zinc/05/93/17/523059317.db2.gz KUKSFZCEIPNRRR-UHFFFAOYSA-N 1 0 265.353 2.177 10 0 CEAERO CC[C@@H](c1cccs1)n1nnnc1C[NH2+]CC(C)C ZINC000054747113 523107438 /nfs/dbraw/zinc/10/74/38/523107438.db2.gz BSLVGLXTYUSWJS-NSHDSACASA-N 1 0 279.413 2.480 10 0 CEAERO COC(=O)CCOc1ccc2ccccc2c1CC[NH3+] ZINC000069318595 523108546 /nfs/dbraw/zinc/10/85/46/523108546.db2.gz YFJYHCCOZSRTKU-UHFFFAOYSA-N 1 0 273.332 2.283 10 0 CEAERO CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000049120920 523199247 /nfs/dbraw/zinc/19/92/47/523199247.db2.gz DNSIXLSEVIKKEU-HIFRSBDPSA-N 1 0 296.436 2.392 10 0 CEAERO COCCCN(C)[C@@H](C[NH3+])c1ccc2ncccc2c1 ZINC000069502791 523232665 /nfs/dbraw/zinc/23/26/65/523232665.db2.gz RIDPUOAPNRPATM-INIZCTEOSA-N 1 0 273.380 2.203 10 0 CEAERO CN(Cc1ccc(Cl)s1)[C@@]1(C[NH3+])CN2CCC1CC2 ZINC000048971718 523240115 /nfs/dbraw/zinc/24/01/15/523240115.db2.gz YJDVKYYEUBMZDI-AWEZNQCLSA-N 1 0 299.871 2.256 10 0 CEAERO CCn1c(S[C@H](c2sccc2C)[C@@H](C)[NH3+])n[nH]c1=O ZINC000061594289 523246641 /nfs/dbraw/zinc/24/66/41/523246641.db2.gz OGTDXSRNHOGOIY-SCZZXKLOSA-N 1 0 298.437 2.142 10 0 CEAERO CC[C@H]1CN(CC2(C[NH2+]CC(C)C)CCOCC2)CCO1 ZINC000052181697 523272936 /nfs/dbraw/zinc/27/29/36/523272936.db2.gz QFQVYZJVFOUOPT-INIZCTEOSA-N 1 0 298.471 2.140 10 0 CEAERO CC[C@H]1CO[C@@H](C)CN1CC[NH2+]C(C1CC1)C1CC1 ZINC000053441807 523343826 /nfs/dbraw/zinc/34/38/26/523343826.db2.gz LHELPQOQVZZQBA-WFASDCNBSA-N 1 0 266.429 2.264 10 0 CEAERO COCCCNC(=O)[C@H](C)[NH2+]CCC1=CCCCC1 ZINC000052395976 523356896 /nfs/dbraw/zinc/35/68/96/523356896.db2.gz ZZOCPZVDRHGRRH-ZDUSSCGKSA-N 1 0 268.401 2.008 10 0 CEAERO CCn1cc(CN2C[C@@H](C)[NH2+]CC23CCCCC3)cn1 ZINC000068698875 523376085 /nfs/dbraw/zinc/37/60/85/523376085.db2.gz GBKBZWFSDYLMQZ-CQSZACIVSA-N 1 0 276.428 2.400 10 0 CEAERO CCn1cc(C[C@@H](C[NH3+])Cc2ccc(OC)cc2)cn1 ZINC000052947764 523395141 /nfs/dbraw/zinc/39/51/41/523395141.db2.gz UUMZCYFOCKHFAW-AWEZNQCLSA-N 1 0 273.380 2.272 10 0 CEAERO CCn1cc(C[C@H]([NH2+]C)c2ccccc2OC)cn1 ZINC000050542249 523395611 /nfs/dbraw/zinc/39/56/11/523395611.db2.gz ARGFZDBDYNSAOC-AWEZNQCLSA-N 1 0 259.353 2.415 10 0 CEAERO CN(Cc1cccnc1C(N)=[NH2+])c1ccc(F)cc1 ZINC000061658334 523420980 /nfs/dbraw/zinc/42/09/80/523420980.db2.gz USPIPHXOEPJGQO-UHFFFAOYSA-N 1 0 258.300 2.141 10 0 CEAERO CN(Cc1cccs1)[C@@]1(C[NH3+])CCCSC1 ZINC000061590036 523446255 /nfs/dbraw/zinc/44/62/55/523446255.db2.gz YFOYTTAWTDRFEF-GFCCVEGCSA-N 1 0 256.440 2.404 10 0 CEAERO CC[C@@H]1COCCN1c1cccc(Cl)c1C(N)=[NH2+] ZINC000052905132 523501990 /nfs/dbraw/zinc/50/19/90/523501990.db2.gz BWFWBOAGVLVLPE-SECBINFHSA-N 1 0 267.760 2.239 10 0 CEAERO CC[C@@H]1CO[C@@H](C)CN1[C@@H](C[NH3+])c1ccc(F)c(F)c1 ZINC000048914581 523508172 /nfs/dbraw/zinc/50/81/72/523508172.db2.gz XCHGABLLVMXETP-NVBFEUDRSA-N 1 0 284.350 2.464 10 0 CEAERO CN(Cc1cnn(C)c1)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000048971905 523516607 /nfs/dbraw/zinc/51/66/07/523516607.db2.gz AZTMLZOKYRCIRD-AWEZNQCLSA-N 1 0 278.787 2.205 10 0 CEAERO CC[C@]1(C(=O)N2CCCC(C)(C)C2)CCC[NH2+]C1 ZINC000070260412 523534562 /nfs/dbraw/zinc/53/45/62/523534562.db2.gz WPUUFUKFBHTGSI-HNNXBMFYSA-N 1 0 252.402 2.415 10 0 CEAERO CC[C@]1(C(=O)N2CCC[C@H](C)[C@@H]2C)CCC[NH2+]C1 ZINC000062860782 523534735 /nfs/dbraw/zinc/53/47/35/523534735.db2.gz CZLUTSNXGJTZCI-YDHLFZDLSA-N 1 0 252.402 2.413 10 0 CEAERO CC[C@]1(C(=O)N[C@H](C)Cc2c(F)cccc2F)CC[NH2+]C1 ZINC000062894177 523541215 /nfs/dbraw/zinc/54/12/15/523541215.db2.gz BCKFLLYTWGBOSZ-BZNIZROVSA-N 1 0 296.361 2.402 10 0 CEAERO CCn1ccnc1N(CCC[NH3+])c1cccc(OC)c1 ZINC000050607889 523546817 /nfs/dbraw/zinc/54/68/17/523546817.db2.gz UNBZJHAUCVITAY-UHFFFAOYSA-N 1 0 274.368 2.399 10 0 CEAERO CC[C@]1(C)C[NH2+][C@@H](C(C)C)CN1CCn1ccnc1C ZINC000068704264 523577969 /nfs/dbraw/zinc/57/79/69/523577969.db2.gz MZGHTGZUUHLOPT-HZPDHXFCSA-N 1 0 278.444 2.290 10 0 CEAERO COCC[N@H+](C)CCn1c2ccc(N)cc2nc1C(C)C ZINC000061380860 523619581 /nfs/dbraw/zinc/61/95/81/523619581.db2.gz UWDIANLIBZMRCQ-UHFFFAOYSA-N 1 0 290.411 2.320 10 0 CEAERO CO[C@@H]1CCC[C@H](OC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC000070322855 523648481 /nfs/dbraw/zinc/64/84/81/523648481.db2.gz HBJMGTCGOFUOKL-SCVCMEIPSA-N 1 0 295.301 2.029 10 0 CEAERO CCc1c(-c2ccccc2)[nH]nc1N1CC[NH2+]CC1 ZINC000062670006 523676134 /nfs/dbraw/zinc/67/61/34/523676134.db2.gz RLFDINJKMGFEEH-UHFFFAOYSA-N 1 0 256.353 2.049 10 0 CEAERO CN1C(=O)CCC[C@@H]([NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000070292052 523682330 /nfs/dbraw/zinc/68/23/30/523682330.db2.gz YWMTYBHKCXZNQY-YPMHNXCESA-N 1 0 252.745 2.351 10 0 CEAERO CC[C@@]1(C(=O)N(C)c2cccc(OC)c2)CC[NH2+]C1 ZINC000062903058 523690786 /nfs/dbraw/zinc/69/07/86/523690786.db2.gz JNTSRSJNGGANCT-OAHLLOKOSA-N 1 0 262.353 2.048 10 0 CEAERO CC[C@@]1(C(=O)N2Cc3ccccc3C2)CCC[NH2+]C1 ZINC000062860821 523691222 /nfs/dbraw/zinc/69/12/22/523691222.db2.gz ABTDPWCXMVGUBY-MRXNPFEDSA-N 1 0 258.365 2.309 10 0 CEAERO CC[C@@]1(C(=O)N[C@@H]2CCOc3ccccc32)CC[NH2+]C1 ZINC000062893102 523696316 /nfs/dbraw/zinc/69/63/16/523696316.db2.gz LTVGAODBOGMGII-CZUORRHYSA-N 1 0 274.364 2.016 10 0 CEAERO CC[C@@]1(C(=O)N[C@@H](C)Cc2ccco2)CCC[NH2+]C1 ZINC000062855181 523696773 /nfs/dbraw/zinc/69/67/73/523696773.db2.gz NFGWKDKWQRTQFO-SWLSCSKDSA-N 1 0 264.369 2.107 10 0 CEAERO CCc1c(C)nn([C@@H](C)C[NH2+]C[C@H]2CCCO2)c1C ZINC000053540971 523715935 /nfs/dbraw/zinc/71/59/35/523715935.db2.gz XLOJEWCVUTYQDU-SMDDNHRTSA-N 1 0 265.401 2.392 10 0 CEAERO CC[C@@]1(C)C[NH2+]CCN1Cc1ccc(OC)c(OC)c1 ZINC000068696192 523719095 /nfs/dbraw/zinc/71/90/95/523719095.db2.gz VVQSXXGDMUGAOP-INIZCTEOSA-N 1 0 278.396 2.278 10 0 CEAERO CC[C@@]1(c2nc(Cc3ccccc3)no2)CC[NH2+]C1 ZINC000062915803 523747997 /nfs/dbraw/zinc/74/79/97/523747997.db2.gz DRPWQXPAYROWOP-OAHLLOKOSA-N 1 0 257.337 2.302 10 0 CEAERO COc1ccc(C(=O)[C@H](C)N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061645622 523778860 /nfs/dbraw/zinc/77/88/60/523778860.db2.gz RGRCYULNMGUIKF-DZGCQCFKSA-N 1 0 290.407 2.292 10 0 CEAERO C[N@@H+]1CCCC[C@@H]1CNc1nc(Cl)nc(Cl)n1 ZINC000061518974 523796468 /nfs/dbraw/zinc/79/64/68/523796468.db2.gz UYBQRBGTNOXBCY-SSDOTTSWSA-N 1 0 276.171 2.075 10 0 CEAERO COC(=O)[C@@](C)([NH3+])CCSc1nc2cc(C)ccc2[nH]1 ZINC000061440864 523817593 /nfs/dbraw/zinc/81/75/93/523817593.db2.gz LQIUUCRRKIYYNG-AWEZNQCLSA-N 1 0 293.392 2.244 10 0 CEAERO CC[C@H](C(=O)c1ccccc1)N(C)C1CC[NH2+]CC1 ZINC000050158729 523817549 /nfs/dbraw/zinc/81/75/49/523817549.db2.gz XFYSOPFKAJQUSR-OAHLLOKOSA-N 1 0 260.381 2.332 10 0 CEAERO COC(=O)[C@@](C)([NH3+])C[C@@H](C)n1c(C)nc2ccccc21 ZINC000068648795 523819525 /nfs/dbraw/zinc/81/95/25/523819525.db2.gz QMQSXEGPLAYWHI-BMIGLBTASA-N 1 0 275.352 2.186 10 0 CEAERO COC(=O)[C@@](C[NH+]1CCCCCC1)(NC(C)C)C1CC1 ZINC000069095143 523822929 /nfs/dbraw/zinc/82/29/29/523822929.db2.gz MEOSLDBLBZLGDV-INIZCTEOSA-N 1 0 282.428 2.182 10 0 CEAERO COC(=O)[C@@](C[N@@H+]1CCCC(C)(C)C1)(NC1CC1)C1CC1 ZINC000069516941 523824031 /nfs/dbraw/zinc/82/40/31/523824031.db2.gz FBLQSUVORNOBRK-KRWDZBQOSA-N 1 0 294.439 2.182 10 0 CEAERO COC(=O)[C@@]([NH3+])(CSC1CCCCC1)C1CC1 ZINC000069188466 523825416 /nfs/dbraw/zinc/82/54/16/523825416.db2.gz FOGVIMHFCHKDDM-CYBMUJFWSA-N 1 0 257.399 2.333 10 0 CEAERO C[N@@H+]1CCC[C@H](CNC(=O)c2cccc3c2NCCC3)C1 ZINC000050958104 523839446 /nfs/dbraw/zinc/83/94/46/523839446.db2.gz SMUGATQJOOJNQG-CYBMUJFWSA-N 1 0 287.407 2.116 10 0 CEAERO COc1ccc(C)cc1[C@@](O)([C@@H](C)[NH3+])C(F)(F)F ZINC000062784625 523854835 /nfs/dbraw/zinc/85/48/35/523854835.db2.gz TWZZUEYCMASYCK-KCJUWKMLSA-N 1 0 263.259 2.101 10 0 CEAERO CC[C@H](C)C[NH2+]C[C@H](O)c1ccc2c(c1)OCCO2 ZINC000054470264 523883253 /nfs/dbraw/zinc/88/32/53/523883253.db2.gz KOXZTDRMEHMEND-AAEUAGOBSA-N 1 0 265.353 2.127 10 0 CEAERO COCCN1C[C@H](C(C)C)[NH2+]C[C@H]1Cc1ccccc1 ZINC000062670230 523887996 /nfs/dbraw/zinc/88/79/96/523887996.db2.gz MWYUTLDOTJZMFO-IAGOWNOFSA-N 1 0 276.424 2.174 10 0 CEAERO CCc1ccc(C(=O)N2[C@H](C)C[NH2+]C[C@@H]2C)s1 ZINC000069133138 523888969 /nfs/dbraw/zinc/88/89/69/523888969.db2.gz UGDAJJJPQFFDKB-AOOOYVTPSA-N 1 0 252.383 2.133 10 0 CEAERO COC(=O)[C@H](CC[N@H+](CC(C)C)C(C)C)NC1CC1 ZINC000062525433 523898730 /nfs/dbraw/zinc/89/87/30/523898730.db2.gz AJSNORORCOJVFG-AWEZNQCLSA-N 1 0 270.417 2.037 10 0 CEAERO CC[C@H](C)[N@H+](CC)Cc1cccnc1C(N)=S ZINC000061659711 523936530 /nfs/dbraw/zinc/93/65/30/523936530.db2.gz STUGFKMLNLOLAA-JTQLQIEISA-N 1 0 251.399 2.336 10 0 CEAERO COCC[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCOC1 ZINC000054666380 523942642 /nfs/dbraw/zinc/94/26/42/523942642.db2.gz NUOFWYCUMHIGFG-HNNXBMFYSA-N 1 0 267.344 2.011 10 0 CEAERO COCC[NH2+]C[C@@]1(Cc2cc(C)ccc2OC)CCOC1 ZINC000054666472 523942776 /nfs/dbraw/zinc/94/27/76/523942776.db2.gz SXEHBASNLXEPLH-KRWDZBQOSA-N 1 0 293.407 2.189 10 0 CEAERO COCC[NH2+]C[C@@]1(Cc2ccc(F)cc2F)CCOC1 ZINC000054666458 523942837 /nfs/dbraw/zinc/94/28/37/523942837.db2.gz IFXJNUOPPOBSKD-HNNXBMFYSA-N 1 0 285.334 2.150 10 0 CEAERO COCC[NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000055030661 523943348 /nfs/dbraw/zinc/94/33/48/523943348.db2.gz VQLAAEYJTXEBRW-NSHDSACASA-N 1 0 264.152 2.263 10 0 CEAERO COCC[NH2+]C[C@H]1C[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000054598594 523944994 /nfs/dbraw/zinc/94/49/94/523944994.db2.gz HDRWTOKBLBOVTC-YPMHNXCESA-N 1 0 295.379 2.052 10 0 CEAERO COCC[NH2+]Cc1c(C)nc(Cc2ccccc2)nc1C ZINC000054854558 523946163 /nfs/dbraw/zinc/94/61/63/523946163.db2.gz KKWUGGSIFCPOBG-UHFFFAOYSA-N 1 0 285.391 2.420 10 0 CEAERO COCC[NH2+]Cc1c(Cl)cccc1N1CCC[C@@H]1CO ZINC000062736787 523947006 /nfs/dbraw/zinc/94/70/06/523947006.db2.gz ITNONKODEUVJMM-GFCCVEGCSA-N 1 0 298.814 2.037 10 0 CEAERO COCC[NH2+]Cc1c(C)nn(C)c1N1CC[C@H](C)C[C@@H]1C ZINC000062738086 523947453 /nfs/dbraw/zinc/94/74/53/523947453.db2.gz KOGUVQWXQNUGHN-STQMWFEESA-N 1 0 294.443 2.089 10 0 CEAERO COCC[NH2+]Cc1cc(C)c(OCC(C)(C)O)c(C)c1 ZINC000062728663 523948205 /nfs/dbraw/zinc/94/82/05/523948205.db2.gz YJTWSUIFYSZNEX-UHFFFAOYSA-N 1 0 281.396 2.189 10 0 CEAERO COCC[NH2+]Cc1cc(F)ccc1N(C)C1CCOCC1 ZINC000062736282 523950227 /nfs/dbraw/zinc/95/02/27/523950227.db2.gz DVXZYFLQHLFBLK-UHFFFAOYSA-N 1 0 296.386 2.177 10 0 CEAERO CCc1ccc(C[C@]2(C[NH2+]CCOC)CCOC2)s1 ZINC000054666326 523951442 /nfs/dbraw/zinc/95/14/42/523951442.db2.gz IPGVUEVWCPBUKW-HNNXBMFYSA-N 1 0 283.437 2.496 10 0 CEAERO COCC[NH2+]Cc1ccc(OC)c(OCC(F)F)c1 ZINC000062732585 523951825 /nfs/dbraw/zinc/95/18/25/523951825.db2.gz QBRCWXPUPYWEHS-UHFFFAOYSA-N 1 0 275.295 2.075 10 0 CEAERO CC[C@H](C)N1CC[NH+](C[C@@H]2CCCCC[C@@H]2O)CC1 ZINC000055073119 523954322 /nfs/dbraw/zinc/95/43/22/523954322.db2.gz PDLLACUNWDWSST-JYJNAYRXSA-N 1 0 268.445 2.344 10 0 CEAERO COCC[NH2+]Cc1cccc(OCc2cc(C)no2)c1 ZINC000062731695 523954454 /nfs/dbraw/zinc/95/44/54/523954454.db2.gz RIYSLNPMKVIZJK-UHFFFAOYSA-N 1 0 276.336 2.298 10 0 CEAERO C[N@@H+]1CC[C@@H](Nc2cccc(Cl)c2C(N)=S)C1 ZINC000052906081 523969854 /nfs/dbraw/zinc/96/98/54/523969854.db2.gz YGOCOUIWKHUYSX-MRVPVSSYSA-N 1 0 269.801 2.090 10 0 CEAERO CO[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cccc(C)c1 ZINC000050373580 523987360 /nfs/dbraw/zinc/98/73/60/523987360.db2.gz AVQDYWVAYAHTNV-KGLIPLIRSA-N 1 0 262.353 2.091 10 0 CEAERO C[N@@H+]1CC[C@H](Nc2cccc(Cl)c2C(N)=S)C1 ZINC000052906079 523989466 /nfs/dbraw/zinc/98/94/66/523989466.db2.gz YGOCOUIWKHUYSX-QMMMGPOBSA-N 1 0 269.801 2.090 10 0 CEAERO C[N@@H+]1CC[C@H](Nc2nnc(Cl)c3ccccc32)C1 ZINC000050529820 523991033 /nfs/dbraw/zinc/99/10/33/523991033.db2.gz VONUPYIVGQZHEC-VIFPVBQESA-N 1 0 262.744 2.399 10 0 CEAERO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CCOc2ccccc21 ZINC000052928766 523994338 /nfs/dbraw/zinc/99/43/38/523994338.db2.gz VSZDVPUHLUUDCN-SGMGOOAPSA-N 1 0 276.380 2.403 10 0 CEAERO COc1ccc(CN(C)C(=O)[C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000048894994 523997865 /nfs/dbraw/zinc/99/78/65/523997865.db2.gz ZDHGAGVEZSCRJB-TZMCWYRMSA-N 1 0 276.380 2.042 10 0 CEAERO COC(=O)[C@](C)([NH3+])CCCOc1cc(F)cc(F)c1 ZINC000054934115 524001731 /nfs/dbraw/zinc/00/17/31/524001731.db2.gz IUDQVERBLDXBQP-CYBMUJFWSA-N 1 0 273.279 2.014 10 0 CEAERO COC(=O)[C@](C)(N)C[C@H](C)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000068641758 524002235 /nfs/dbraw/zinc/00/22/35/524002235.db2.gz JXAYDFZIXGUYAI-JLJPHGGASA-N 1 0 290.407 2.145 10 0 CEAERO COC(=O)[C@](C)(N)C[C@H](C)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000068632791 524002637 /nfs/dbraw/zinc/00/26/37/524002637.db2.gz PGMJJVDKBOUCJK-JGGQBBKZSA-N 1 0 282.428 2.310 10 0 CEAERO COCCOCCOc1ccccc1C[NH2+]CC(C)C ZINC000052628234 524013052 /nfs/dbraw/zinc/01/30/52/524013052.db2.gz CZILGRUQYPZRTA-UHFFFAOYSA-N 1 0 281.396 2.474 10 0 CEAERO COCCO[C@H](C[NH2+]C1CC1)c1cccc(F)c1 ZINC000050495843 524034237 /nfs/dbraw/zinc/03/42/37/524034237.db2.gz MTKDWKOKYIHXMN-CQSZACIVSA-N 1 0 253.317 2.282 10 0 CEAERO C[NH+](C)C1CCN(CCNc2ccc(F)cc2)CC1 ZINC000053382846 524040460 /nfs/dbraw/zinc/04/04/60/524040460.db2.gz LRMUFIPRBZTQCD-UHFFFAOYSA-N 1 0 265.376 2.264 10 0 CEAERO CNC(=O)CCCOc1ccc(C[C@@H](C)[NH3+])cc1Cl ZINC000068820347 524065423 /nfs/dbraw/zinc/06/54/23/524065423.db2.gz YTPBKCCUOHWAAQ-SNVBAGLBSA-N 1 0 284.787 2.135 10 0 CEAERO CNC(=O)CCCOc1cccc(C[NH2+]C(C)(C)C)c1 ZINC000068816829 524065517 /nfs/dbraw/zinc/06/55/17/524065517.db2.gz GBEPGFDJFBPCGA-UHFFFAOYSA-N 1 0 278.396 2.480 10 0 CEAERO CCc1cccc(C)c1NC(=O)c1ccc(NN)[nH+]c1 ZINC000051089116 524065951 /nfs/dbraw/zinc/06/59/51/524065951.db2.gz PLCABBMHOBZRLG-UHFFFAOYSA-N 1 0 270.336 2.490 10 0 CEAERO CNC(=O)[C@@H](C)Oc1ccccc1C[NH2+]C(C)(C)C ZINC000062729240 524080906 /nfs/dbraw/zinc/08/09/06/524080906.db2.gz FDSOMMMALXZNOI-LLVKDONJSA-N 1 0 264.369 2.088 10 0 CEAERO C[C@@H]1CCCCN1Cc1[nH+]c(NN)ccc1Cl ZINC000061638911 524115814 /nfs/dbraw/zinc/11/58/14/524115814.db2.gz DEHIJEKKAWFOEB-SECBINFHSA-N 1 0 254.765 2.395 10 0 CEAERO C[C@H]1CCC[NH2+][C@@H]1C(=O)N(C)Cc1ccccc1F ZINC000051793344 524125019 /nfs/dbraw/zinc/12/50/19/524125019.db2.gz UJMQRHLTWMDDQF-FZMZJTMJSA-N 1 0 264.344 2.172 10 0 CEAERO Cc1cccc(-n2nnnc2C[NH2+]C(C)(C)C)c1C ZINC000054744440 524147755 /nfs/dbraw/zinc/14/77/55/524147755.db2.gz ZXBWGZSLVURAOZ-UHFFFAOYSA-N 1 0 259.357 2.167 10 0 CEAERO C[C@H]1CCC[C@@H](c2noc(CN3CCC[NH2+]CC3)n2)C1 ZINC000061145737 524153881 /nfs/dbraw/zinc/15/38/81/524153881.db2.gz QDMFIHQCHRKICU-QWHCGFSZSA-N 1 0 278.400 2.159 10 0 CEAERO C[C@H](CC[NH3+])N(C)C(=O)c1ccc2ncccc2c1 ZINC000063085908 524171964 /nfs/dbraw/zinc/17/19/64/524171964.db2.gz SSZRINIQWJDFID-LLVKDONJSA-N 1 0 257.337 2.044 10 0 CEAERO COc1ccc(Cc2noc([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000048760196 524172477 /nfs/dbraw/zinc/17/24/77/524172477.db2.gz HNMBDMIEQZLLET-LBPRGKRZSA-N 1 0 273.336 2.136 10 0 CEAERO Cc1ccc(C)c(OC[C@]([NH2+]C2CC2)(C(N)=O)C2CC2)c1 ZINC000069197290 524181207 /nfs/dbraw/zinc/18/12/07/524181207.db2.gz MPEXTIGYZUIDFM-QGZVFWFLSA-N 1 0 288.391 2.068 10 0 CEAERO C[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H](C[NH3+])C2)[C@@H]1C ZINC000055148150 524205072 /nfs/dbraw/zinc/20/50/72/524205072.db2.gz UMQGGRIRNLAHQF-YIYPIFLZSA-N 1 0 252.402 2.399 10 0 CEAERO C[C@@H]1CCCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)[C@H]1C ZINC000050565369 524207006 /nfs/dbraw/zinc/20/70/06/524207006.db2.gz GQDLAYJLHBYHGQ-DVOMOZLQSA-N 1 0 272.392 2.348 10 0 CEAERO COc1ccc(Cl)cc1Cn1ccnc1C[C@H](C)[NH3+] ZINC000062802871 524213810 /nfs/dbraw/zinc/21/38/10/524213810.db2.gz VETVZJOYWUSNTM-JTQLQIEISA-N 1 0 279.771 2.483 10 0 CEAERO C[C@@H](C(=O)Nc1cccc(OC(F)F)c1)C1C[NH2+]C1 ZINC000164003137 524273365 /nfs/dbraw/zinc/27/33/65/524273365.db2.gz VDOGIKKPMAOFQX-MRVPVSSYSA-N 1 0 270.279 2.082 10 0 CEAERO C[C@@H]1CCC[C@@H](CNC(=O)CCOc2ccccc2)[NH2+]1 ZINC000051573241 524290165 /nfs/dbraw/zinc/29/01/65/524290165.db2.gz LKRLJIAHUYSCKT-KGLIPLIRSA-N 1 0 276.380 2.102 10 0 CEAERO C[C@H]1CCN(c2nc(C(C)(C)C)ns2)C[C@@H]1C[NH3+] ZINC000163993510 524307212 /nfs/dbraw/zinc/30/72/12/524307212.db2.gz BIPOTJXYLAMUMU-UWVGGRQHSA-N 1 0 268.430 2.257 10 0 CEAERO Cc1cc(C)c(NS(=O)(=O)C[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000049632341 524307898 /nfs/dbraw/zinc/30/78/98/524307898.db2.gz KHFYDFYGGSERKN-ZDUSSCGKSA-N 1 0 282.409 2.106 10 0 CEAERO C[C@H](C[NH3+])c1nc(-c2ccc3ncccc3c2)no1 ZINC000062801520 524311906 /nfs/dbraw/zinc/31/19/06/524311906.db2.gz DHRVTOQODCUEOS-SECBINFHSA-N 1 0 254.293 2.347 10 0 CEAERO C[C@H](C[NH+]1CCCC1)n1c2ccc(N)cc2nc1[C@H](C)O ZINC000053737411 524320755 /nfs/dbraw/zinc/32/07/55/524320755.db2.gz TYIYVNKQRIYVQQ-NEPJUHHUSA-N 1 0 288.395 2.329 10 0 CEAERO C[C@@H]1CCC[C@@](C[NH2+]CCCCCO)(N(C)C)C1 ZINC000051021030 524339178 /nfs/dbraw/zinc/33/91/78/524339178.db2.gz WCTWMJJYHABZQK-HUUCEWRRSA-N 1 0 256.434 2.249 10 0 CEAERO COc1ccc(N(C)C(=O)[C@H](C[NH3+])c2ccccc2)cc1 ZINC000061613232 524345089 /nfs/dbraw/zinc/34/50/89/524345089.db2.gz FMYKDNSBKQQYBH-MRXNPFEDSA-N 1 0 284.359 2.401 10 0 CEAERO Cc1cccc(CCC(=O)N(C)[C@H]2CCC[NH2+]C2)c1 ZINC000051967465 524345912 /nfs/dbraw/zinc/34/59/12/524345912.db2.gz WJMYTGHIZIQHQC-HNNXBMFYSA-N 1 0 260.381 2.138 10 0 CEAERO Cc1cccc(CCNC(=O)[C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000051671221 524359082 /nfs/dbraw/zinc/35/90/82/524359082.db2.gz IZOCEZFKXBTEJV-ZFWWWQNUSA-N 1 0 260.381 2.042 10 0 CEAERO C[C@@H]1CCC[C@H](C[NH3+])N1c1ncnc2ccccc21 ZINC000070158082 524376027 /nfs/dbraw/zinc/37/60/27/524376027.db2.gz UJWGFIOTQAKXGR-VXGBXAGGSA-N 1 0 256.353 2.336 10 0 CEAERO C[C@@H]1CCC[C@H](N(C)C(=O)[C@]2(C)CCC[NH2+]C2)C1 ZINC000062859804 524387509 /nfs/dbraw/zinc/38/75/09/524387509.db2.gz DIORTIYEXZYSPH-VNHYZAJKSA-N 1 0 252.402 2.413 10 0 CEAERO C[C@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)NCC1CCCCC1 ZINC000055127181 524414782 /nfs/dbraw/zinc/41/47/82/524414782.db2.gz VHNNJIMXVHOOTQ-UBHSHLNASA-N 1 0 252.402 2.446 10 0 CEAERO Cc1cc(C)cc(O[C@@H](C)C[C@](C)([NH2+]C2CC2)C(N)=O)c1 ZINC000068656129 524455015 /nfs/dbraw/zinc/45/50/15/524455015.db2.gz BPVYTFSKPWEWNY-GUYCJALGSA-N 1 0 290.407 2.457 10 0 CEAERO C[C@H](C[NH2+]Cc1ccc(O)c(Br)c1)N(C)C ZINC000062702744 524486406 /nfs/dbraw/zinc/48/64/06/524486406.db2.gz MSKFMYMNRKBDQV-SECBINFHSA-N 1 0 287.201 2.194 10 0 CEAERO Cc1cccc(N(CCC[NH3+])CCCCCO)c1 ZINC000051020215 524524713 /nfs/dbraw/zinc/52/47/13/524524713.db2.gz YJEJLUQDIIMURY-UHFFFAOYSA-N 1 0 250.386 2.313 10 0 CEAERO C[C@@H](C[NH3+])c1nc2cc(Br)ccc2n1C ZINC000054334305 524586622 /nfs/dbraw/zinc/58/66/22/524586622.db2.gz IGWHNNADPDNCNI-ZETCQYMHSA-N 1 0 268.158 2.398 10 0 CEAERO C[C@H]1C[N@H+](CC2CCOCC2)[C@H](c2ccccc2)CN1 ZINC000068699062 524586720 /nfs/dbraw/zinc/58/67/20/524586720.db2.gz PHUCXUASKKXECK-YOEHRIQHSA-N 1 0 274.408 2.448 10 0 CEAERO C[C@@H]1CC[C@@H](CNC(=O)c2c(F)cccc2F)C[NH2+]1 ZINC000062036851 524593716 /nfs/dbraw/zinc/59/37/16/524593716.db2.gz CNAZPECLZHXMSN-NXEZZACHSA-N 1 0 268.307 2.083 10 0 CEAERO C[C@@H](C[NH+]1CCCCC1)N1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054601269 524601837 /nfs/dbraw/zinc/60/18/37/524601837.db2.gz DPLCBEYMECJHKW-SOUVJXGZSA-N 1 0 264.413 2.447 10 0 CEAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccc2c[nH]nc2c1 ZINC000061670563 524605736 /nfs/dbraw/zinc/60/57/36/524605736.db2.gz CKVXEDAGIBTWGG-LBPRGKRZSA-N 1 0 286.379 2.167 10 0 CEAERO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)cc1 ZINC000183127768 524605861 /nfs/dbraw/zinc/60/58/61/524605861.db2.gz MDNWLBKXSWGLLA-HUBLWGQQSA-N 1 0 292.379 2.179 10 0 CEAERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(Cl)cc1N ZINC000050443137 524645420 /nfs/dbraw/zinc/64/54/20/524645420.db2.gz ARFOSESMCWBTEG-KOLCDFICSA-N 1 0 281.787 2.008 10 0 CEAERO C[C@H](C[C@](C)([NH3+])C(N)=O)Oc1ccc(C(C)(C)C)cc1 ZINC000068655787 524654535 /nfs/dbraw/zinc/65/45/35/524654535.db2.gz DFWIFHUFDOUBMW-BZNIZROVSA-N 1 0 278.396 2.344 10 0 CEAERO C[C@@H]1CC[C@H](C)[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000068612154 524658931 /nfs/dbraw/zinc/65/89/31/524658931.db2.gz WNOKUVSFIMEUML-TYNCELHUSA-N 1 0 296.436 2.248 10 0 CEAERO Cc1cccc(NC(=O)c2cccc(CC[NH3+])c2)n1 ZINC000053661880 524662237 /nfs/dbraw/zinc/66/22/37/524662237.db2.gz HPWCMXQBOZDQQG-UHFFFAOYSA-N 1 0 255.321 2.144 10 0 CEAERO C[C@H]1CN([C@@H](C[NH3+])c2cc3ccccc3o2)CCO1 ZINC000068810711 524663641 /nfs/dbraw/zinc/66/36/41/524663641.db2.gz JKMQXKCMOQRTQF-AAEUAGOBSA-N 1 0 260.337 2.153 10 0 CEAERO C[C@H]1CN(c2ccc(Br)cn2)C[C@H](C)[NH2+]1 ZINC000053711562 524667041 /nfs/dbraw/zinc/66/70/41/524667041.db2.gz FMDMPZRDXOVKKG-IUCAKERBSA-N 1 0 270.174 2.031 10 0 CEAERO Cc1cc(CN2CCO[C@H](C)C2)oc1C[NH2+]C(C)C ZINC000052382808 524701048 /nfs/dbraw/zinc/70/10/48/524701048.db2.gz ZYOFSMRVUMDUPP-CYBMUJFWSA-N 1 0 266.385 2.307 10 0 CEAERO COc1ccc(N[C@H](C[NH3+])c2ccco2)c(OC)c1 ZINC000057549254 524710368 /nfs/dbraw/zinc/71/03/68/524710368.db2.gz GRRAFYZCAICNCC-GFCCVEGCSA-N 1 0 262.309 2.409 10 0 CEAERO COc1ccccc1[C@@H](C)N(C)C(=O)CC[C@H](C)[NH3+] ZINC000070316590 524716384 /nfs/dbraw/zinc/71/63/84/524716384.db2.gz GBYAXALKZUVQDC-NWDGAFQWSA-N 1 0 264.369 2.342 10 0 CEAERO C[C@@H](C[NH2+]C(C)(C)C)CN1CCN(c2ccccn2)CC1 ZINC000052418579 524734598 /nfs/dbraw/zinc/73/45/98/524734598.db2.gz AIOSOHCEMOHGRC-HNNXBMFYSA-N 1 0 290.455 2.228 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1cccc(F)c1)N1CCC[C@@H]1CCCO ZINC000052757629 524837987 /nfs/dbraw/zinc/83/79/87/524837987.db2.gz AXLVMUURHFPUFY-MAZHCROVSA-N 1 0 280.387 2.451 10 0 CEAERO C[C@@H](C[C@@](C)([NH3+])C(N)=O)Oc1cccc(C(C)(C)C)c1 ZINC000068657527 524850965 /nfs/dbraw/zinc/85/09/65/524850965.db2.gz RMABWROKANZSQE-MEDUHNTESA-N 1 0 278.396 2.344 10 0 CEAERO C[C@H]([NH3+])[C@H](c1cccc(Cl)c1)N1CCn2ccnc2C1 ZINC000062245708 524853553 /nfs/dbraw/zinc/85/35/53/524853553.db2.gz IRFURRFOALQZLV-XHDPSFHLSA-N 1 0 290.798 2.441 10 0 CEAERO C[C@H]([NH3+])[C@](O)(c1cc(F)cc(F)c1)C(F)(F)F ZINC000062784279 524861542 /nfs/dbraw/zinc/86/15/42/524861542.db2.gz DHYLKIXTXIXYLN-CDUCUWFYSA-N 1 0 255.186 2.062 10 0 CEAERO C[C@H]([NH3+])[C@](O)(c1ccccc1Cl)C(F)(F)F ZINC000062784755 524861787 /nfs/dbraw/zinc/86/17/87/524861787.db2.gz IUIMTKDSDKFNOE-RCOVLWMOSA-N 1 0 253.651 2.437 10 0 CEAERO C[C@@H](C[C@](C)(NC1CC1)C(N)=O)[N@@H+]1CCCCC[C@@H]1C ZINC000068647938 524862984 /nfs/dbraw/zinc/86/29/84/524862984.db2.gz NMCJFMFRNQQMFW-XEZPLFJOSA-N 1 0 281.444 2.026 10 0 CEAERO C[C@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(=O)c1cccc2cccnc21 ZINC000061416010 524865163 /nfs/dbraw/zinc/86/51/63/524865163.db2.gz USEBAYHFCVQURT-LNSITVRQSA-N 1 0 281.359 2.057 10 0 CEAERO Cc1ccc(N2CCC[C@H]([NH3+])C2=O)cc1Br ZINC000070062509 524957965 /nfs/dbraw/zinc/95/79/65/524957965.db2.gz NAMBPARHROZEHS-NSHDSACASA-N 1 0 283.169 2.212 10 0 CEAERO COc1ccc(OC)c([C@H]([NH3+])COC2CCC2)c1 ZINC000050520241 524907592 /nfs/dbraw/zinc/90/75/92/524907592.db2.gz BCGMTYRJLOVJQX-CYBMUJFWSA-N 1 0 251.326 2.273 10 0 CEAERO COc1ccc(OCCN2CC[NH2+]C[C@@H]2CC(C)C)cc1 ZINC000062707689 524956416 /nfs/dbraw/zinc/95/64/16/524956416.db2.gz MKQJCWYTIDMTJN-HNNXBMFYSA-N 1 0 292.423 2.394 10 0 CEAERO COc1ccc(OCC[NH2+]CCCOC(C)C)cc1 ZINC000049800922 524960631 /nfs/dbraw/zinc/96/06/31/524960631.db2.gz NNEUTONXYACCSN-UHFFFAOYSA-N 1 0 267.369 2.479 10 0 CEAERO C[C@@H]1CN(C[C@@H]2CCCO2)[C@@](C)(c2ccccc2)C[NH2+]1 ZINC000068699145 524968820 /nfs/dbraw/zinc/96/88/20/524968820.db2.gz JHVXJFXXPSZPFC-HYVNUMGLSA-N 1 0 274.408 2.375 10 0 CEAERO C[C@@H]1CN(Cc2c(C[NH3+])oc3ccccc32)CCO1 ZINC000052382411 524981697 /nfs/dbraw/zinc/98/16/97/524981697.db2.gz KDSXCMXBWDDKTM-LLVKDONJSA-N 1 0 260.337 2.112 10 0 CEAERO COc1ccc(O[C@@H](C)C[C@](C)([NH2+]C(C)C)C(N)=O)cc1 ZINC000068656838 524984152 /nfs/dbraw/zinc/98/41/52/524984152.db2.gz JZQZGVMBSXTVAO-LRDDRELGSA-N 1 0 294.395 2.095 10 0 CEAERO C[C@@H]([NH3+])Cc1nc(Cc2ccc(F)cc2Cl)no1 ZINC000062606770 524999460 /nfs/dbraw/zinc/99/94/60/524999460.db2.gz BPTBJCLOKKXQKM-SSDOTTSWSA-N 1 0 269.707 2.343 10 0 CEAERO Cc1cc(F)ccc1[C@H]1[C@H]([NH3+])CCCC(=O)N1C ZINC000070292246 525011119 /nfs/dbraw/zinc/01/11/19/525011119.db2.gz XXXBCXRWWMVYQZ-OCCSQVGLSA-N 1 0 250.317 2.145 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1cccc(Cl)c1)N1CCCOCC1 ZINC000061914134 525017006 /nfs/dbraw/zinc/01/70/06/525017006.db2.gz YBVPSJJSDZMWGO-BXUZGUMPSA-N 1 0 268.788 2.451 10 0 CEAERO C[C@@H]1CN(Cc2cn3ccccc3n2)C2(CCCC2)C[NH2+]1 ZINC000068698741 525022334 /nfs/dbraw/zinc/02/23/34/525022334.db2.gz HAALEBODFCSJRV-CQSZACIVSA-N 1 0 284.407 2.441 10 0 CEAERO C[C@@H]1CN(Cc2ccoc2C[NH2+]C2CC2)C[C@H](C)O1 ZINC000052380451 525023850 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COc1ccc([C@@H]([NH3+])Cc2cccnc2)c(OC)c1 ZINC000055232981 525190775 /nfs/dbraw/zinc/19/07/75/525190775.db2.gz IJZSIVZTWLSOQZ-AWEZNQCLSA-N 1 0 258.321 2.341 10 0 CEAERO C[C@]1(C(=O)NC2C3CC4CC(C3)CC2C4)CCC[NH2+]C1 ZINC000062855446 525197024 /nfs/dbraw/zinc/19/70/24/525197024.db2.gz MNDWIOJKWIKGOD-VIFSAKLVSA-N 1 0 276.424 2.317 10 0 CEAERO COc1ccc([C@@H]([C@@H](C)[NH3+])N2CCC[C@@H]2CCCO)cc1 ZINC000052757152 525210684 /nfs/dbraw/zinc/21/06/84/525210684.db2.gz DSXXHKQDBDWDAO-FRFSOERESA-N 1 0 292.423 2.320 10 0 CEAERO Cc1ccccc1N(CCC[NH3+])C(=O)[C@@H]1CCCCO1 ZINC000050958277 525218841 /nfs/dbraw/zinc/21/88/41/525218841.db2.gz PQZGNRHPFSBNLI-HNNXBMFYSA-N 1 0 276.380 2.246 10 0 CEAERO CS(=O)(=O)c1ccc(-c2csc(CCC[NH3+])n2)cc1 ZINC000054139465 525240535 /nfs/dbraw/zinc/24/05/35/525240535.db2.gz PRFKFRBTTAYWHJ-UHFFFAOYSA-N 1 0 296.417 2.105 10 0 CEAERO COc1ccc([C@@H]2[C@@H](C[NH2+]C(C)C)OCCN2C)cc1 ZINC000070286178 525272779 /nfs/dbraw/zinc/27/27/79/525272779.db2.gz IQRLZPGXFKJGAZ-HZPDHXFCSA-N 1 0 278.396 2.065 10 0 CEAERO C[C@@H](NC(=O)[C@H]1CC12CC[NH2+]CC2)c1ccccc1F ZINC000070253751 525289943 /nfs/dbraw/zinc/28/99/43/525289943.db2.gz XRSLFZSULNASDW-DGCLKSJQSA-N 1 0 276.355 2.393 10 0 CEAERO Cc1ccccc1OCCCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000155474340 525290768 /nfs/dbraw/zinc/29/07/68/525290768.db2.gz WWTRQCFCXKXYMN-UONOGXRCSA-N 1 0 276.380 2.008 10 0 CEAERO C[C@]1(c2ccc(F)c(Br)c2)C[C@]1(C[NH3+])CO ZINC000062670138 525315908 /nfs/dbraw/zinc/31/59/08/525315908.db2.gz PUPUDAOYIGOFKW-NEPJUHHUSA-N 1 0 288.160 2.187 10 0 CEAERO C[C@H]([NH2+]CCN1CCCCC1)c1ccc(NC(N)=O)cc1 ZINC000049574967 525349624 /nfs/dbraw/zinc/34/96/24/525349624.db2.gz DPLCNHGQAXKKAM-ZDUSSCGKSA-N 1 0 290.411 2.314 10 0 CEAERO C[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(=O)Cc1cccc(Cl)c1 ZINC000052945274 525353857 /nfs/dbraw/zinc/35/38/57/525353857.db2.gz IZWTUCXLRNPYNJ-QKCSRTOESA-N 1 0 278.783 2.091 10 0 CEAERO Cc1cc(OCC[C@](C)([NH3+])C(N)=O)ccc1C(C)C ZINC000045514126 525372407 /nfs/dbraw/zinc/37/24/07/525372407.db2.gz FWUJIWOLJWQRDT-HNNXBMFYSA-N 1 0 264.369 2.090 10 0 CEAERO Cc1cc(S[C@H](c2cccnc2)[C@H](C)[NH3+])n(C)n1 ZINC000052309635 525440998 /nfs/dbraw/zinc/44/09/98/525440998.db2.gz OECPFIOXJMBHDD-GWCFXTLKSA-N 1 0 262.382 2.304 10 0 CEAERO C[C@@H]([NH2+]CCN1CCN(c2ccccc2F)CC1)C1CC1 ZINC000053342867 525448803 /nfs/dbraw/zinc/44/88/03/525448803.db2.gz BILJBVMJGYZBKC-CQSZACIVSA-N 1 0 291.414 2.336 10 0 CEAERO C[C@H]([NH2+]Cc1ccc[nH]1)c1ccc(NC(N)=O)cc1 ZINC000051789128 525452359 /nfs/dbraw/zinc/45/23/59/525452359.db2.gz AKZVEVPOAKAKOY-JTQLQIEISA-N 1 0 258.325 2.356 10 0 CEAERO Cc1cccnc1C(=O)N(C)Cc1ccc(C[NH3+])cc1 ZINC000051790588 525483242 /nfs/dbraw/zinc/48/32/42/525483242.db2.gz BIYDLDQRKHDVGV-UHFFFAOYSA-N 1 0 269.348 2.121 10 0 CEAERO Cc1cccnc1C(=O)N1C[C@@H](CC[NH3+])c2ccccc21 ZINC000063127590 525487888 /nfs/dbraw/zinc/48/78/88/525487888.db2.gz RQBLHEWPKVQGFU-CYBMUJFWSA-N 1 0 281.359 2.483 10 0 CEAERO Cc1cc([C@@](O)([C@H](C)[NH3+])C(F)(F)F)ccc1F ZINC000062784455 525500736 /nfs/dbraw/zinc/50/07/36/525500736.db2.gz LPMPARGWTRFIQV-XVKPBYJWSA-N 1 0 251.223 2.231 10 0 CEAERO C[C@@H]1Cc2ccccc2N1Cc1cc[nH+]c(NN)c1 ZINC000052724500 525534053 /nfs/dbraw/zinc/53/40/53/525534053.db2.gz OYSVIDVECOGGPF-LLVKDONJSA-N 1 0 254.337 2.318 10 0 CEAERO Cc1cc([C@H](C[NH3+])N(C)C2CCOCC2)ccc1F ZINC000050546114 525536847 /nfs/dbraw/zinc/53/68/47/525536847.db2.gz FIMSPOKEMRJBDE-HNNXBMFYSA-N 1 0 266.360 2.245 10 0 CEAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000052270425 525587594 /nfs/dbraw/zinc/58/75/94/525587594.db2.gz VTTRMAHTHNRHDU-GBIKHYSHSA-N 1 0 253.367 2.149 10 0 CEAERO C[C@@H]1[C@@H](C)CCCN1C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000050565412 525633463 /nfs/dbraw/zinc/63/34/63/525633463.db2.gz YRTFTZGHNYTHJP-MJBXVCDLSA-N 1 0 252.402 2.413 10 0 CEAERO Cc1ccc(SCC[C@H]([NH2+]C2CC2)C(N)=O)cc1 ZINC000062598281 525659035 /nfs/dbraw/zinc/65/90/35/525659035.db2.gz SMVVHZUPFWMUMM-ZDUSSCGKSA-N 1 0 264.394 2.083 10 0 CEAERO Cc1ccc(SCC[C@@H]([NH2+]C2CC2)C(N)=O)cc1C ZINC000062599747 525660206 /nfs/dbraw/zinc/66/02/06/525660206.db2.gz CRCRPONIKXVVRR-CQSZACIVSA-N 1 0 278.421 2.392 10 0 CEAERO Cc1cc2ncnn2c(N2CCC[C@H]2C[NH2+]C(C)(C)C)c1 ZINC000053695586 525686248 /nfs/dbraw/zinc/68/62/48/525686248.db2.gz YFMSGVZARXONRZ-ZDUSSCGKSA-N 1 0 287.411 2.395 10 0 CEAERO Cc1ccnc(NC(=O)[C@H](C[NH3+])c2ccccc2)c1 ZINC000061611023 525688913 /nfs/dbraw/zinc/68/89/13/525688913.db2.gz RRGWFKRSJDSLHB-CYBMUJFWSA-N 1 0 255.321 2.071 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)c2cc[nH+]c(NN)c2)cc1 ZINC000051119531 525719420 /nfs/dbraw/zinc/71/94/20/525719420.db2.gz KKSLOLFVBFHHFV-LLVKDONJSA-N 1 0 270.336 2.167 10 0 CEAERO Cc1ccc([C@@H](O)CC[NH2+]C[C@H]2CCCO2)c(C)c1 ZINC000049854658 525778582 /nfs/dbraw/zinc/77/85/82/525778582.db2.gz OULHKXSZTGQSQM-ZBFHGGJFSA-N 1 0 263.381 2.496 10 0 CEAERO Cc1ccc(-c2nc(CN3C[C@@H](C)[NH2+][C@@H](C)C3)no2)cc1 ZINC000070078445 525811614 /nfs/dbraw/zinc/81/16/14/525811614.db2.gz SIRJAEVCFGRDIH-BETUJISGSA-N 1 0 286.379 2.227 10 0 CEAERO COc1cccc(CNC(=O)c2ccc3c(c2)C[NH2+]C3)c1 ZINC000156698217 526007582 /nfs/dbraw/zinc/00/75/82/526007582.db2.gz VIKAXCRRAQJYDJ-UHFFFAOYSA-N 1 0 282.343 2.228 10 0 CEAERO COc1cccc(NC(=O)N(C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000226459744 526186939 /nfs/dbraw/zinc/18/69/39/526186939.db2.gz FPVKJKGUZJNNBQ-CYBMUJFWSA-N 1 0 277.368 2.301 10 0 CEAERO COc1cccc(NC(=O)N2[C@H](C)CCC[C@@H]2C[NH3+])c1 ZINC000070153091 526190226 /nfs/dbraw/zinc/19/02/26/526190226.db2.gz CXESASAYOWBDKJ-DGCLKSJQSA-N 1 0 277.368 2.429 10 0 CEAERO C[C@H](CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)[C@@H]1CCC[NH2+]C1 ZINC000156071006 526229552 /nfs/dbraw/zinc/22/95/52/526229552.db2.gz IYHKAOMPMDPYRS-LVQVYYBASA-N 1 0 294.439 2.182 10 0 CEAERO Cc1nn([C@@H](c2cccnc2)[C@H](C)[NH3+])c(C)c1Cl ZINC000050586386 526302624 /nfs/dbraw/zinc/30/26/24/526302624.db2.gz IOJNAQBFXZYXRK-ISVAXAHUSA-N 1 0 264.760 2.485 10 0 CEAERO Cc1csc(N2Cc3ccccc3C[C@@H]2C[NH3+])n1 ZINC000053664270 526382048 /nfs/dbraw/zinc/38/20/48/526382048.db2.gz YSJNVZOTWFHAMS-CYBMUJFWSA-N 1 0 259.378 2.342 10 0 CEAERO Cc1csc(NC(=O)CC[C@H]2CCCC[NH2+]2)n1 ZINC000050940496 526382256 /nfs/dbraw/zinc/38/22/56/526382256.db2.gz PUIAIEFMYRIJIW-SNVBAGLBSA-N 1 0 253.371 2.312 10 0 CEAERO Cc1nnc(SCc2[nH+]c(NN)ccc2Cl)s1 ZINC000061640185 526387544 /nfs/dbraw/zinc/38/75/44/526387544.db2.gz NCBSOXQMQUWNNB-UHFFFAOYSA-N 1 0 287.801 2.473 10 0 CEAERO Cc1nnc(S[C@@H](C[NH3+])c2cccc(F)c2)o1 ZINC000051037840 526389382 /nfs/dbraw/zinc/38/93/82/526389382.db2.gz NQLWVYYWCWRDEJ-JTQLQIEISA-N 1 0 253.302 2.309 10 0 CEAERO Cc1nnc(S[C@H](C[NH3+])c2cccc(F)c2)o1 ZINC000051037841 526389702 /nfs/dbraw/zinc/38/97/02/526389702.db2.gz NQLWVYYWCWRDEJ-SNVBAGLBSA-N 1 0 253.302 2.309 10 0 CEAERO Cc1nnc([C@]2(C)CCC[NH2+]C2)n1-c1ccccc1 ZINC000062872686 526409024 /nfs/dbraw/zinc/40/90/24/526409024.db2.gz GFJASHPVACRHHQ-OAHLLOKOSA-N 1 0 256.353 2.217 10 0 CEAERO Fc1ccccc1COCC[NH2+]C[C@@H]1CCCO1 ZINC000069286890 526411437 /nfs/dbraw/zinc/41/14/37/526411437.db2.gz UBMARIKKSIHVSJ-ZDUSSCGKSA-N 1 0 253.317 2.111 10 0 CEAERO Fc1ccccc1COCC[NH2+]C1CCOCC1 ZINC000069286787 526412078 /nfs/dbraw/zinc/41/20/78/526412078.db2.gz WFEZRTBJBJKVGT-UHFFFAOYSA-N 1 0 253.317 2.111 10 0 CEAERO c1ccc(C[C@@H]2C[NH2+]CCN2Cc2cccnc2)cc1 ZINC000068696751 526476528 /nfs/dbraw/zinc/47/65/28/526476528.db2.gz OZTRINKEWGBNHY-QGZVFWFLSA-N 1 0 267.376 2.098 10 0 CEAERO c1ccc(N2CCN(CC[NH2+]C3CCCCC3)CC2)nc1 ZINC000053341613 526481711 /nfs/dbraw/zinc/48/17/11/526481711.db2.gz MSGGAQJUZPABEO-UHFFFAOYSA-N 1 0 288.439 2.126 10 0 CEAERO O=C([C@@H]1CC[NH2+]C1)N(Cc1ccco1)Cc1ccco1 ZINC000062114541 526483119 /nfs/dbraw/zinc/48/31/19/526483119.db2.gz INERLUMAIPSCAO-GFCCVEGCSA-N 1 0 274.320 2.011 10 0 CEAERO O=C(CC[N@H+]1CCC[C@H]1CCCO)NC1CCCCC1 ZINC000052762198 526485419 /nfs/dbraw/zinc/48/54/19/526485419.db2.gz PBKTZJQCMYOKBG-HNNXBMFYSA-N 1 0 282.428 2.062 10 0 CEAERO c1ccc2c(c1)C[C@@H](C[NH2+]CCc1cccnc1)O2 ZINC000063222317 526508597 /nfs/dbraw/zinc/50/85/97/526508597.db2.gz HDVWCNKUHJMUFN-HNNXBMFYSA-N 1 0 254.333 2.217 10 0 CEAERO O=C(CC[C@@H]1CCCC[NH2+]1)Nc1ccc(CCO)cc1 ZINC000050949809 526548325 /nfs/dbraw/zinc/54/83/25/526548325.db2.gz YGGMVFQDUUYOSG-AWEZNQCLSA-N 1 0 276.380 2.082 10 0 CEAERO O=C(CC[C@@H]1CCCCO1)N1CCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000069388537 526549707 /nfs/dbraw/zinc/54/97/07/526549707.db2.gz MDWRLZVRPHQINU-PMPSAXMXSA-N 1 0 294.439 2.326 10 0 CEAERO c1nc2ccccc2n1C[C@H]1CC[C@H](C[NH2+]C2CC2)O1 ZINC000052576442 526609750 /nfs/dbraw/zinc/60/97/50/526609750.db2.gz CNXVDXGPSGZKLY-ZIAGYGMSSA-N 1 0 271.364 2.336 10 0 CEAERO c1nn(C[C@H]2CC[C@@H](C[NH2+]C3CC3)O2)c2ccccc12 ZINC000052574223 526619414 /nfs/dbraw/zinc/61/94/14/526619414.db2.gz PCBVRLHLNKHHJA-LSDHHAIUSA-N 1 0 271.364 2.336 10 0 CEAERO Cc1nc(C)n(Cc2c3ccccc3oc2C[NH3+])n1 ZINC000052574377 526764618 /nfs/dbraw/zinc/76/46/18/526764618.db2.gz LQDTWTWQCPQXJN-UHFFFAOYSA-N 1 0 256.309 2.148 10 0 CEAERO NC(=[NH2+])c1cc2c(nc1-n1ccc(C3CC3)n1)CCCC2 ZINC000052884364 526821891 /nfs/dbraw/zinc/82/18/91/526821891.db2.gz MTEVAMGRNXFUSA-UHFFFAOYSA-N 1 0 281.363 2.308 10 0 CEAERO NC(=[NH2+])c1ccc(SC2CCOCC2)c(F)c1 ZINC000062054527 526823947 /nfs/dbraw/zinc/82/39/47/526823947.db2.gz WQAMZNSKXOAECC-UHFFFAOYSA-N 1 0 254.330 2.381 10 0 CEAERO Cc1nc(CNC[C@@H](C)C[NH+]2CCCC2)oc1C ZINC000062072342 526887469 /nfs/dbraw/zinc/88/74/69/526887469.db2.gz SJKLBJSIVGYSJX-LLVKDONJSA-N 1 0 251.374 2.113 10 0 CEAERO Cc1nc(CNCC[C@@H]2CCCC[N@H+]2C)cs1 ZINC000052205832 526887771 /nfs/dbraw/zinc/88/77/71/526887771.db2.gz MAJDOZBXGYUYFD-ZDUSSCGKSA-N 1 0 253.415 2.416 10 0 CEAERO Cc1nc(C[C@H]2CCCO2)sc1C[NH2+]C1CC1 ZINC000052330864 526922833 /nfs/dbraw/zinc/92/28/33/526922833.db2.gz WIMVCHZVUSLYEH-LLVKDONJSA-N 1 0 252.383 2.425 10 0 CEAERO Cc1nc(Cc2ncc3c(n2)CCC[C@H]3[NH3+])cs1 ZINC000055296588 526929186 /nfs/dbraw/zinc/92/91/86/526929186.db2.gz AJONPJDMKVKCKH-LLVKDONJSA-N 1 0 260.366 2.168 10 0 CEAERO Cc1nc(N2CCCCC2)nc(C)c1C[NH2+]C1CC1 ZINC000054854409 526964408 /nfs/dbraw/zinc/96/44/08/526964408.db2.gz AAERUBUGANLMDP-UHFFFAOYSA-N 1 0 260.385 2.336 10 0 CEAERO O=C(N[C@H](c1ccco1)c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000062113865 527010430 /nfs/dbraw/zinc/01/04/30/527010430.db2.gz KZJQBTGEXHQTIN-ZFWWWQNUSA-N 1 0 270.332 2.095 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2cccnc21 ZINC000061416172 527146382 /nfs/dbraw/zinc/14/63/82/527146382.db2.gz SUOKWMONXIUFGG-AGUYFDCRSA-N 1 0 281.359 2.329 10 0 CEAERO Cc1nc2ccccc2n(CCC[C@@H]2CCC[NH2+]2)c1=O ZINC000052764930 527162642 /nfs/dbraw/zinc/16/26/42/527162642.db2.gz UAXXPZRIHALXBO-ZDUSSCGKSA-N 1 0 271.364 2.237 10 0 CEAERO [NH3+]CC1(CCCOCC(F)(F)F)CCOCC1 ZINC000061673985 527162859 /nfs/dbraw/zinc/16/28/59/527162859.db2.gz GTMXGSUJHZWERP-UHFFFAOYSA-N 1 0 255.280 2.101 10 0 CEAERO Cc1nc[nH]c1C[NH2+]CCn1c(C)nc2ccccc21 ZINC000054794316 527170331 /nfs/dbraw/zinc/17/03/31/527170331.db2.gz IACTVOUWWOVMKE-UHFFFAOYSA-N 1 0 269.352 2.166 10 0 CEAERO Cc1nc2ccccc2n1Cc1cc[nH+]c(NN)c1 ZINC000052726310 527170995 /nfs/dbraw/zinc/17/09/95/527170995.db2.gz QKUFSTVXSWZTQR-UHFFFAOYSA-N 1 0 253.309 2.074 10 0 CEAERO [NH3+]CCCN(C(=O)c1ccc2c(c1)CCO2)C1CCCC1 ZINC000050891884 527178687 /nfs/dbraw/zinc/17/86/87/527178687.db2.gz ZKYNQIBMGCBDRO-UHFFFAOYSA-N 1 0 288.391 2.355 10 0 CEAERO [NH3+]CC[C@H]1CCCCN1Cc1noc(-c2ccco2)n1 ZINC000070149695 527194420 /nfs/dbraw/zinc/19/44/20/527194420.db2.gz WUJGVYCHCCLVOX-LLVKDONJSA-N 1 0 276.340 2.033 10 0 CEAERO NC(=O)c1ccc(N2C[C@H](CC[NH3+])c3ccccc32)cc1 ZINC000063129611 527195032 /nfs/dbraw/zinc/19/50/32/527195032.db2.gz WGUXHFGBIXZHMQ-ZDUSSCGKSA-N 1 0 281.359 2.370 10 0 CEAERO [NH3+]CCc1ccc(NC(=O)CC[C@H]2CCCCO2)cc1 ZINC000069383667 527196342 /nfs/dbraw/zinc/19/63/42/527196342.db2.gz SSBXWXODGFJTAN-OAHLLOKOSA-N 1 0 276.380 2.476 10 0 CEAERO [NH3+]C[C@@H](C(=O)N1CCC[C@H]1c1ccc[nH]1)c1ccccc1 ZINC000061612154 527199876 /nfs/dbraw/zinc/19/98/76/527199876.db2.gz ZQZYEEQHCLVXFE-ZBFHGGJFSA-N 1 0 283.375 2.421 10 0 CEAERO [NH3+]C[C@@H](Sc1ncnc2[nH]cnc21)c1ccccc1F ZINC000051036279 527205683 /nfs/dbraw/zinc/20/56/83/527205683.db2.gz DBQMOLOOADSMGP-SNVBAGLBSA-N 1 0 289.339 2.284 10 0 CEAERO [NH3+]C[C@@H]1CC[C@H](Cn2cc(-c3ccccc3)cn2)O1 ZINC000054962059 527219539 /nfs/dbraw/zinc/21/95/39/527219539.db2.gz DVJGLKFZFGIGLD-LSDHHAIUSA-N 1 0 257.337 2.056 10 0 CEAERO Cn1cc(C[C@@H]([NH3+])c2ccc3ncccc3c2)cn1 ZINC000062802009 527228979 /nfs/dbraw/zinc/22/89/79/527228979.db2.gz HYBITNPEZGDIFX-CQSZACIVSA-N 1 0 252.321 2.211 10 0 CEAERO [NH3+]C[C@H](c1cccc2cccnc21)N1CCSCC1 ZINC000069502292 527230218 /nfs/dbraw/zinc/23/02/18/527230218.db2.gz SLWSPRGOSPXDKO-CQSZACIVSA-N 1 0 273.405 2.283 10 0 CEAERO [NH3+]Cc1cc(COc2cccc(Br)c2)on1 ZINC000052674043 527247816 /nfs/dbraw/zinc/24/78/16/527247816.db2.gz VEYGCBJNOMLEFO-UHFFFAOYSA-N 1 0 283.125 2.475 10 0 CEAERO [NH3+]Cc1ccc(CN2CCN(Cc3ccccc3)CC2)o1 ZINC000052417114 527253037 /nfs/dbraw/zinc/25/30/37/527253037.db2.gz RCNDOSBEXYSXDC-UHFFFAOYSA-N 1 0 285.391 2.056 10 0 CEAERO [NH3+]Cc1ccc(Cl)cc1N1CCCC[C@H]1CO ZINC000062786880 527253895 /nfs/dbraw/zinc/25/38/95/527253895.db2.gz GLHFVDUMRZXGAC-LBPRGKRZSA-N 1 0 254.761 2.150 10 0 CEAERO [NH3+]Cc1ccc(NC(=O)c2ccc(F)cc2F)nc1 ZINC000051952585 527256056 /nfs/dbraw/zinc/25/60/56/527256056.db2.gz GGKWTBLVLISVGQ-UHFFFAOYSA-N 1 0 263.247 2.071 10 0 CEAERO [NH3+]Cc1ccnc(-n2cc(-c3ccccc3)cn2)c1 ZINC000054938019 527260280 /nfs/dbraw/zinc/26/02/80/527260280.db2.gz IMJSFZWCXLENSY-UHFFFAOYSA-N 1 0 250.305 2.393 10 0 CEAERO [NH3+]Cc1cnc(Cc2ccc(F)cc2Cl)nc1 ZINC000062609208 527262054 /nfs/dbraw/zinc/26/20/54/527262054.db2.gz RXTZOBZSURFFPA-UHFFFAOYSA-N 1 0 251.692 2.319 10 0 CEAERO NNc1cc(C(=O)Nc2cccc(Cl)c2)cc[nH+]1 ZINC000051096294 527272329 /nfs/dbraw/zinc/27/23/29/527272329.db2.gz STSNCXSOARQFDS-UHFFFAOYSA-N 1 0 262.700 2.273 10 0 CEAERO NNc1ccc(C(=O)N[C@H]2CCCc3sccc32)c[nH+]1 ZINC000061374225 527277898 /nfs/dbraw/zinc/27/78/98/527277898.db2.gz HHEIQRZAXPVTFW-NSHDSACASA-N 1 0 288.376 2.236 10 0 CEAERO NNc1ccc(C(=O)Nc2ccc(F)c(F)c2F)c[nH+]1 ZINC000051090033 527277989 /nfs/dbraw/zinc/27/79/89/527277989.db2.gz IAKPTCUVHZENGQ-UHFFFAOYSA-N 1 0 282.225 2.037 10 0 CEAERO NNc1ccc(COc2cncc(Br)c2)c[nH+]1 ZINC000070044043 527278765 /nfs/dbraw/zinc/27/87/65/527278765.db2.gz BYTLIEWIKSGPHQ-UHFFFAOYSA-N 1 0 295.140 2.104 10 0 CEAERO [NH3+][C@@H](Cc1ccccc1)[C@H](O)c1ccc2c(c1)OCCO2 ZINC000054685706 527337395 /nfs/dbraw/zinc/33/73/95/527337395.db2.gz XACWOWNLTHNERY-WMLDXEAASA-N 1 0 285.343 2.061 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@@H]1NC(=O)/C=C/c1ccccc1 ZINC000063211623 527341418 /nfs/dbraw/zinc/34/14/18/527341418.db2.gz VDOKEQLCMAJHOP-BOXZDTQESA-N 1 0 258.365 2.476 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@H]1N1C(=O)CC2(CCCC2)CC1=O ZINC000063214968 527341425 /nfs/dbraw/zinc/34/14/25/527341425.db2.gz ZMBWWRBNPKLDBU-CHWSQXEVSA-N 1 0 278.396 2.356 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@H]1S(=O)(=O)c1ccccc1 ZINC000061702606 527343104 /nfs/dbraw/zinc/34/31/04/527343104.db2.gz CYPZWKGDOHMZSH-CHWSQXEVSA-N 1 0 253.367 2.120 10 0 CEAERO Cc1nccc(N2CCC[C@H](C[NH2+]CC(C)C)C2)n1 ZINC000054937668 527346246 /nfs/dbraw/zinc/34/62/46/527346246.db2.gz XXKHABBCJAORCL-CQSZACIVSA-N 1 0 262.401 2.247 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1Nc1ncccc1Br ZINC000063176698 527359812 /nfs/dbraw/zinc/35/98/12/527359812.db2.gz DYLMPOHPYMCQHE-RKDXNWHRSA-N 1 0 256.147 2.136 10 0 CEAERO [NH3+][C@@H]1CCCc2nc(N3CCO[C@@H]4CCC[C@@H]43)sc21 ZINC000054896891 527362965 /nfs/dbraw/zinc/36/29/65/527362965.db2.gz VFGQIUKFYUYNLO-ADEWGFFLSA-N 1 0 279.409 2.237 10 0 CEAERO [NH3+][C@@H]1COc2cc(OCc3nccn3C(F)F)ccc21 ZINC000062803578 527376027 /nfs/dbraw/zinc/37/60/27/527376027.db2.gz MVNPPYBCYKRJFW-SNVBAGLBSA-N 1 0 281.262 2.249 10 0 CEAERO [NH3+][C@H](CC[C@H]1CCCCO1)c1ccc2c(c1)NC(=O)CO2 ZINC000069389830 527385802 /nfs/dbraw/zinc/38/58/02/527385802.db2.gz XDLHIFCCRPBYCS-CHWSQXEVSA-N 1 0 290.363 2.367 10 0 CEAERO [NH3+][C@H](CNC(=O)c1ccc2c(c1)CCO2)c1ccccc1 ZINC000062837749 527387423 /nfs/dbraw/zinc/38/74/23/527387423.db2.gz LYJLGMYSIFYXDM-OAHLLOKOSA-N 1 0 282.343 2.051 10 0 CEAERO [NH3+][C@H](c1nnc2ccc(C(F)(F)F)cn21)C1CC1 ZINC000054502406 527393022 /nfs/dbraw/zinc/39/30/22/527393022.db2.gz JZRMFONXVGOCRM-VIFPVBQESA-N 1 0 256.231 2.158 10 0 CEAERO [NH3+][C@H](c1ccccc1)[C@@H](O)c1ccc2c(c1)CCO2 ZINC000054681997 527393211 /nfs/dbraw/zinc/39/32/11/527393211.db2.gz MVPKUYUFMCYWBS-CVEARBPZSA-N 1 0 255.317 2.355 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)c1cccc2ncccc21 ZINC000061416107 527397405 /nfs/dbraw/zinc/39/74/05/527397405.db2.gz QMGVSKOJMMXOMH-DZGCQCFKSA-N 1 0 269.348 2.235 10 0 CEAERO [NH3+][C@H]1CC[C@@H]2CN(C(=O)c3cccc(F)c3F)C[C@@H]2C1 ZINC000054211620 527415415 /nfs/dbraw/zinc/41/54/15/527415415.db2.gz LOOYWWFRRKRPHF-VWYCJHECSA-N 1 0 280.318 2.164 10 0 CEAERO Nc1c2cccnc2ccc1N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062940807 527437633 /nfs/dbraw/zinc/43/76/33/527437633.db2.gz KQGLYIBWHJBFLP-CYBMUJFWSA-N 1 0 282.391 2.492 10 0 CEAERO Nc1ccc(F)cc1C[N@@H+]1CCC[C@H]1CCCO ZINC000052756954 527489373 /nfs/dbraw/zinc/48/93/73/527489373.db2.gz VBLBUZXNMKGJCE-ZDUSSCGKSA-N 1 0 252.333 2.145 10 0 CEAERO Cc1nn(-c2cc(C[NH3+])ccn2)c(C)c1Br ZINC000050588555 527517075 /nfs/dbraw/zinc/51/70/75/527517075.db2.gz XMMOBGYMSKXIIE-UHFFFAOYSA-N 1 0 281.157 2.105 10 0 CEAERO Cc1nn(-c2ccc(C[NH3+])cn2)c(C)c1Br ZINC000050588557 527525005 /nfs/dbraw/zinc/52/50/05/527525005.db2.gz PNEWNNBLWPFHIX-UHFFFAOYSA-N 1 0 281.157 2.105 10 0 CEAERO OCc1cc(F)ccc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062981355 527630395 /nfs/dbraw/zinc/63/03/95/527630395.db2.gz WPJZOAPXQJXZLQ-OAHLLOKOSA-N 1 0 278.371 2.383 10 0 CEAERO OCc1cc(F)ccc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062981354 527630625 /nfs/dbraw/zinc/63/06/25/527630625.db2.gz WPJZOAPXQJXZLQ-HNNXBMFYSA-N 1 0 278.371 2.383 10 0 CEAERO FC(F)(F)CN1CC[NH2+]C[C@H]1Cc1ccccc1 ZINC000062626618 527667518 /nfs/dbraw/zinc/66/75/18/527667518.db2.gz CDTDRVPZBADFCO-GFCCVEGCSA-N 1 0 258.287 2.065 10 0 CEAERO FC(F)(F)CO[C@H]1CCC[C@@H]([NH2+]Cc2cnc[nH]2)C1 ZINC000054764941 527671548 /nfs/dbraw/zinc/67/15/48/527671548.db2.gz AFBXCLDYERVFBH-KOLCDFICSA-N 1 0 277.290 2.389 10 0 CEAERO Cc1nn(C)c(N2C[C@H](C)O[C@@H](C)C2)c1C[NH2+]CC(C)C ZINC000062734262 527676398 /nfs/dbraw/zinc/67/63/98/527676398.db2.gz CLZKAMWOHBKEGK-STQMWFEESA-N 1 0 294.443 2.088 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CCc1ccoc1 ZINC000177618852 528498730 /nfs/dbraw/zinc/49/87/30/528498730.db2.gz FAVLXRUPXTUTGF-CQSZACIVSA-N 1 0 266.385 2.305 10 0 CEAERO CCC([NH3+])(CC)C(=O)N1CCN(c2ccccc2C)CC1 ZINC000094245228 535182570 /nfs/dbraw/zinc/18/25/70/535182570.db2.gz GSELPXBVPGOTLZ-UHFFFAOYSA-N 1 0 289.423 2.161 10 0 CEAERO CCC[NH2+][C@H]1CCN(CCCC(=O)NC)c2ccccc21 ZINC000071378336 535191943 /nfs/dbraw/zinc/19/19/43/535191943.db2.gz SKTARACMEKLISF-HNNXBMFYSA-N 1 0 289.423 2.464 10 0 CEAERO CC[NH2+][C@H](C)c1ccccc1N1CCC(CC(N)=O)CC1 ZINC000042429297 535516027 /nfs/dbraw/zinc/51/60/27/535516027.db2.gz NCBSTKFPYUPUBN-CYBMUJFWSA-N 1 0 289.423 2.449 10 0 CEAERO CC[NH2+][C@H](C)[C@H]1CCCCN1c1nccn(C(C)C)c1=O ZINC000111718123 535516512 /nfs/dbraw/zinc/51/65/12/535516512.db2.gz OHGTVSQRYNFQFV-ZIAGYGMSSA-N 1 0 292.427 2.181 10 0 CEAERO CCCc1noc(-c2cccnc2N2CCC([NH3+])CC2)n1 ZINC000070457947 535555127 /nfs/dbraw/zinc/55/51/27/535555127.db2.gz HZZKRIAOFUSUEQ-UHFFFAOYSA-N 1 0 287.367 2.012 10 0 CEAERO CCCn1ncnc1CN1CC[C@@H]([NH2+]C)c2ccccc21 ZINC000088584874 535645161 /nfs/dbraw/zinc/64/51/61/535645161.db2.gz YTSBVBPIGRFYDI-CQSZACIVSA-N 1 0 285.395 2.359 10 0 CEAERO C[NH2+][C@H](C)c1cc(F)c(C)cc1N1CCn2cnnc2C1 ZINC000094766853 536406668 /nfs/dbraw/zinc/40/66/68/536406668.db2.gz TUANMAVRWJGOQG-LLVKDONJSA-N 1 0 289.358 2.026 10 0 CEAERO COC(C[C@@H](C[NH3+])N1C[C@@H](C)Cc2ccccc21)OC ZINC000090625367 536510139 /nfs/dbraw/zinc/51/01/39/536510139.db2.gz IEGQCFKSUYLTMA-JSGCOSHPSA-N 1 0 278.396 2.022 10 0 CEAERO COC(C[C@](C)(C[NH3+])N1CCCc2ccccc21)OC ZINC000090265671 536510601 /nfs/dbraw/zinc/51/06/01/536510601.db2.gz GJQQRHJGUZHOMS-MRXNPFEDSA-N 1 0 278.396 2.166 10 0 CEAERO COc1cc(C[N@H+](C)C[C@@H](O)COC(C)(C)C)ccc1O ZINC000086168154 536747967 /nfs/dbraw/zinc/74/79/67/536747967.db2.gz AKWHBQDWJYWLFO-CYBMUJFWSA-N 1 0 297.395 2.009 10 0 CEAERO CC(C)C[C@@H](C[NH3+])Nc1cncc(OC(C)C)n1 ZINC000083644629 574441519 /nfs/dbraw/zinc/44/15/19/574441519.db2.gz CUVQLQGEWQEJNR-NSHDSACASA-N 1 0 252.362 2.049 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cccc2[nH]ccc21 ZINC000229583403 574441538 /nfs/dbraw/zinc/44/15/38/574441538.db2.gz DYLSXOHLCKNZAN-ZWNOBZJWSA-N 1 0 257.337 2.038 10 0 CEAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnc(Cl)s1 ZINC000757191379 574511970 /nfs/dbraw/zinc/51/19/70/574511970.db2.gz URAOFYSFDXTHKF-YUMQZZPRSA-N 1 0 288.800 2.441 10 0 CEAERO [NH3+]C[C@@H]1CCN1Cc1cc(Br)ccc1F ZINC000757140870 574510190 /nfs/dbraw/zinc/51/01/90/574510190.db2.gz BPDMZRJBBOYCKQ-JTQLQIEISA-N 1 0 273.149 2.121 10 0 CEAERO CCCN(CCC)S(=O)(=O)C[C@H]([NH3+])CC(C)(C)C ZINC000757151904 574510860 /nfs/dbraw/zinc/51/08/60/574510860.db2.gz PAVJEEYGUXKXRA-GFCCVEGCSA-N 1 0 278.462 2.202 10 0 CEAERO [NH3+]C[C@@H]1CCN1c1ncc(Cl)cc1Br ZINC000757154528 574511145 /nfs/dbraw/zinc/51/11/45/574511145.db2.gz YTUIIHMPQZPJEB-ZETCQYMHSA-N 1 0 276.565 2.035 10 0 CEAERO C[C@@H](N1CCC[C@]12C[NH+]1CCC2CC1)C(F)(F)F ZINC000757129586 574826054 /nfs/dbraw/zinc/82/60/54/574826054.db2.gz LVRYKXMKZVVWEK-ZYHUDNBSSA-N 1 0 262.319 2.497 10 0 CEAERO C[C@@H](C[NH2+]C[C@@H](O)COCc1ccco1)C(C)(C)C ZINC000125443097 649916364 /nfs/dbraw/zinc/91/63/64/649916364.db2.gz HZMSFASABZAMFN-QWHCGFSZSA-N 1 0 269.385 2.429 10 0 CEAERO Cc1cnn(CC[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c1 ZINC000309720313 625293758 /nfs/dbraw/zinc/29/37/58/625293758.db2.gz MAMPHEKVJHMAJN-SJLPKXTDSA-N 1 0 298.434 2.444 10 0 CEAERO Cc1ccc(Br)cc1C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235353256 625331792 /nfs/dbraw/zinc/33/17/92/625331792.db2.gz KWOSENKNKZISIR-SKDRFNHKSA-N 1 0 297.196 2.177 10 0 CEAERO CC[N@H+](CCNS(=O)(=O)/C=C\c1ccccc1)C1CC1 ZINC000255722926 625424804 /nfs/dbraw/zinc/42/48/04/625424804.db2.gz BOPFHWPZNYQUTN-RAXLEYEMSA-N 1 0 294.420 2.061 10 0 CEAERO CCc1ccc([C@@H](C)[NH2+]C2CCS(=O)(=O)CC2)cc1 ZINC000036331462 622667551 /nfs/dbraw/zinc/66/75/51/622667551.db2.gz BUZRHUAHGUMZSR-GFCCVEGCSA-N 1 0 281.421 2.477 10 0 CEAERO COc1ccc2c(c1)[C@H](C(=O)OC(C)(C)C)[C@H]([NH3+])CC2 ZINC000757139006 622869733 /nfs/dbraw/zinc/86/97/33/622869733.db2.gz CLWFPHPHDLYPGS-KGLIPLIRSA-N 1 0 277.364 2.394 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cn1nccc1-c1ccncc1 ZINC000177163893 625626343 /nfs/dbraw/zinc/62/63/43/625626343.db2.gz GVYCEDMWBRMPKN-MRXNPFEDSA-N 1 0 299.422 2.319 10 0 CEAERO CC(C)(C)OC(=O)N1CCC([NH2+][C@H]2CCCC[C@H]2O)CC1 ZINC000051997506 625628884 /nfs/dbraw/zinc/62/88/84/625628884.db2.gz DNBXYUFQAVQXBJ-UONOGXRCSA-N 1 0 298.427 2.279 10 0 CEAERO CC1(C)C[C@H](NC(=O)[C@@]2(F)CC[NH2+]C2)c2ccccc2O1 ZINC000160346347 623200586 /nfs/dbraw/zinc/20/05/86/623200586.db2.gz IIRDJXZYNWYBEZ-BLLLJJGKSA-N 1 0 292.354 2.107 10 0 CEAERO [NH3+]CCCCCCNc1ncc(Br)cn1 ZINC000236168155 623312450 /nfs/dbraw/zinc/31/24/50/623312450.db2.gz ZJSFXHQEFDNCDA-UHFFFAOYSA-N 1 0 273.178 2.170 10 0 CEAERO CCc1cnc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2CC)o1 ZINC000221100724 623371351 /nfs/dbraw/zinc/37/13/51/623371351.db2.gz FOMMFQGMSHFTET-STQMWFEESA-N 1 0 263.385 2.296 10 0 CEAERO Cc1nn(C)c(CN[C@H](CC(C)C)C[NH+](C)C)c1Cl ZINC000089232389 623463532 /nfs/dbraw/zinc/46/35/32/623463532.db2.gz SEONXJRRGIGQKM-GFCCVEGCSA-N 1 0 286.851 2.448 10 0 CEAERO O[C@H](C[NH2+][C@@H]1COc2ccccc21)CC(F)(F)F ZINC000307951755 623468924 /nfs/dbraw/zinc/46/89/24/623468924.db2.gz VDVHLSSVLAALRI-WCBMZHEXSA-N 1 0 261.243 2.023 10 0 CEAERO C[NH2+][C@H]1CCCN(c2nccc(C)c2Br)C1 ZINC000234487000 624078488 /nfs/dbraw/zinc/07/84/88/624078488.db2.gz WAYAHLDLPXESGX-JTQLQIEISA-N 1 0 284.201 2.341 10 0 CEAERO C[C@@H]([NH3+])C1CCN(c2ncnc3ccsc32)CC1 ZINC000104130463 624970026 /nfs/dbraw/zinc/97/00/26/624970026.db2.gz JPUDCMCTWSNRCR-SECBINFHSA-N 1 0 262.382 2.255 10 0 CEAERO [NH3+][C@@H](CC1CC1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000311817060 627701499 /nfs/dbraw/zinc/70/14/99/627701499.db2.gz JJANJDZGALBCMU-GJZGRUSLSA-N 1 0 258.365 2.308 10 0 CEAERO CCc1nc(C2(NCC3CC[NH+](C)CC3)CCCC2)no1 ZINC000892852247 627811627 /nfs/dbraw/zinc/81/16/27/627811627.db2.gz YJNNDEPMYFRHHC-UHFFFAOYSA-N 1 0 292.427 2.333 10 0 CEAERO CCCS(=O)(=O)CC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000328240590 627869511 /nfs/dbraw/zinc/86/95/11/627869511.db2.gz IGOOAHSGLLPXLO-UHFFFAOYSA-N 1 0 285.453 2.226 10 0 CEAERO c1cncc([C@H]2NCC[NH+]=C2NC2CCCCC2)c1 ZINC000075567288 628085347 /nfs/dbraw/zinc/08/53/47/628085347.db2.gz ZRPAHWLBEMMMTC-CQSZACIVSA-N 1 0 258.369 2.047 10 0 CEAERO C[C@@H](C[NH2+][C@@H]1CCO[C@H]1C)N(C)C(=O)OC(C)(C)C ZINC000309934329 628170407 /nfs/dbraw/zinc/17/04/07/628170407.db2.gz AUVVGBOCQBHQRK-SDDRHHMPSA-N 1 0 272.389 2.009 10 0 CEAERO C[NH2+][C@@H]1CCCN(c2ncnc3sc(C)c(C)c32)C1 ZINC000053204747 628252784 /nfs/dbraw/zinc/25/27/84/628252784.db2.gz NCULUTSRZIVNRS-LLVKDONJSA-N 1 0 276.409 2.496 10 0 CEAERO CCOC1CC(CC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2CC)C1 ZINC000191928629 628368324 /nfs/dbraw/zinc/36/83/24/628368324.db2.gz JOKNPBFRQZKPAS-PWUWZPNHSA-N 1 0 294.439 2.277 10 0 CEAERO C[C@H](C[NH2+][C@@H]1COCC1(C)C)N(C)C(=O)OC(C)(C)C ZINC000312966778 628570906 /nfs/dbraw/zinc/57/09/06/628570906.db2.gz GDARORZDGFJUSG-VXGBXAGGSA-N 1 0 286.416 2.256 10 0 CEAERO Cc1cccc2c1CCN(C(=O)[C@@H]1CC[C@H]([NH3+])C1)C2 ZINC000178532959 628848901 /nfs/dbraw/zinc/84/89/01/628848901.db2.gz OPOZKTDGOGCNIY-OCCSQVGLSA-N 1 0 258.365 2.007 10 0 CEAERO COC(=O)[C@H]1C[N@H+](Cc2nc(C)c(C)s2)C[C@@H]1C ZINC000227807034 628918979 /nfs/dbraw/zinc/91/89/79/628918979.db2.gz IDGKXYCAFBKOKI-KWQFWETISA-N 1 0 268.382 2.001 10 0 CEAERO c1ccc(OCCc2nc(C[C@@H]3CCC[NH2+]C3)no2)cc1 ZINC000063084546 628925266 /nfs/dbraw/zinc/92/52/66/628925266.db2.gz XAXOQMYVZMUWFR-ZDUSSCGKSA-N 1 0 287.363 2.233 10 0 CEAERO C[C@H]1CN(Cc2ccc(Br)cc2F)C[C@H]1[NH3+] ZINC000261533052 628935847 /nfs/dbraw/zinc/93/58/47/628935847.db2.gz GJFXYLWXXBTLBC-QPUJVOFHSA-N 1 0 287.176 2.367 10 0 CEAERO C[C@H]1CN(Cc2ccc(Br)c(F)c2)C[C@H]1[NH3+] ZINC000261533966 628935901 /nfs/dbraw/zinc/93/59/01/628935901.db2.gz MDOMISKRQJLKLH-QPUJVOFHSA-N 1 0 287.176 2.367 10 0 CEAERO Cc1ccnc(N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1Br ZINC000261549849 628937283 /nfs/dbraw/zinc/93/72/83/628937283.db2.gz KUEILQYSYWFBQS-HBNTYKKESA-N 1 0 296.212 2.326 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC(C)(C)c1ccccc1 ZINC000261570327 628939030 /nfs/dbraw/zinc/93/90/30/628939030.db2.gz OOVBMRCCZBXNSJ-GXTWGEPZSA-N 1 0 260.381 2.426 10 0 CEAERO COC[C@]1(CNc2ncccc2C(F)(F)F)CCC[NH2+]1 ZINC000261628952 628952625 /nfs/dbraw/zinc/95/26/25/628952625.db2.gz BAQHTJQFWGJICX-GFCCVEGCSA-N 1 0 289.301 2.281 10 0 CEAERO C[C@@H]1CN(Cc2cccc(OCC(F)(F)F)c2)C[C@@H]1[NH3+] ZINC000262092164 629832046 /nfs/dbraw/zinc/83/20/46/629832046.db2.gz UVPIDKZYCGIVNG-MFKMUULPSA-N 1 0 288.313 2.407 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cccnc2Cl)C1 ZINC000049210934 629853588 /nfs/dbraw/zinc/85/35/88/629853588.db2.gz XPJVKTLRVNHDCW-SNVBAGLBSA-N 1 0 282.775 2.341 10 0 CEAERO C[NH2+]C[C@@H]1CCCN(c2ccc(OC(F)F)cn2)C1 ZINC000262186806 630050183 /nfs/dbraw/zinc/05/01/83/630050183.db2.gz JHKROMLEGBXOHL-JTQLQIEISA-N 1 0 271.311 2.119 10 0 CEAERO CN(C)c1ccc(NC(=O)C[C@H]2CCC[NH2+]C2)cc1 ZINC000054290974 631123258 /nfs/dbraw/zinc/12/32/58/631123258.db2.gz HHSDCTJUYLNCJE-GFCCVEGCSA-N 1 0 261.369 2.081 10 0 CEAERO CC(C)n1nccc1[C@H]1C[NH2+]C[C@H]1C(=O)OC(C)(C)C ZINC000757192219 631833030 /nfs/dbraw/zinc/83/30/30/631833030.db2.gz WLUGYMPDIGAKPG-NWDGAFQWSA-N 1 0 279.384 2.109 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1c1nc(-c2cscn2)no1 ZINC000150262664 638076245 /nfs/dbraw/zinc/07/62/45/638076245.db2.gz KDDFXAFFEKAIJC-SFYZADRCSA-N 1 0 250.327 2.036 10 0 CEAERO C[NH2+][C@H]1CCCN(C(=O)[C@H](C)Cc2ccccc2)C1 ZINC000151017240 639164851 /nfs/dbraw/zinc/16/48/51/639164851.db2.gz VKTXKRBZSSFJCE-HIFRSBDPSA-N 1 0 260.381 2.076 10 0 CEAERO C[C@@H]1C[N@H+](C[C@@](C)(O)c2ccccc2)CC(C)(C)O1 ZINC000226150564 639525382 /nfs/dbraw/zinc/52/53/82/639525382.db2.gz ZBHQYEMYRHILBR-CZUORRHYSA-N 1 0 263.381 2.393 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cnc(Cl)c(C)c1 ZINC000226354465 639538629 /nfs/dbraw/zinc/53/86/29/639538629.db2.gz XETIEHTZMOZPRD-GMSGAONNSA-N 1 0 255.749 2.355 10 0 CEAERO C[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000158049060 639562450 /nfs/dbraw/zinc/56/24/50/639562450.db2.gz LAZYATFAFNANSM-BPLDGKMQSA-N 1 0 260.381 2.109 10 0 CEAERO Cc1cc2c(ncnc2N2CC[C@H]([NH3+])[C@@H](C)C2)s1 ZINC000227076484 639572976 /nfs/dbraw/zinc/57/29/76/639572976.db2.gz RPAQJHJLOGTBKS-KWQFWETISA-N 1 0 262.382 2.173 10 0 CEAERO CCC[C@H](OC)c1noc([C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000227314314 639585235 /nfs/dbraw/zinc/58/52/35/639585235.db2.gz BWFUZWZWRLQUKD-VWYCJHECSA-N 1 0 253.346 2.400 10 0 CEAERO Cc1cc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])cnc1Cl ZINC000227428521 639591286 /nfs/dbraw/zinc/59/12/86/639591286.db2.gz YZYQAYVFKYMCRB-GXSJLCMTSA-N 1 0 267.760 2.357 10 0 CEAERO [NH3+]C1CCC(Nc2nc(C(F)(F)F)ns2)CC1 ZINC000228771008 639657633 /nfs/dbraw/zinc/65/76/33/639657633.db2.gz QZUJHMXOYNIRBY-UHFFFAOYSA-N 1 0 266.292 2.239 10 0 CEAERO C[C@H](Nc1nc(C2CC2)ns1)[C@H]1CCC[NH2+]C1 ZINC000087642487 639697992 /nfs/dbraw/zinc/69/79/92/639697992.db2.gz JYUGRNALBCGTMO-WPRPVWTQSA-N 1 0 252.387 2.216 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1ccc2c(c1)CCC2 ZINC000061883325 639727248 /nfs/dbraw/zinc/72/72/48/639727248.db2.gz PDSSMSAXGANCDR-HUUCEWRRSA-N 1 0 258.365 2.033 10 0 CEAERO Cc1ccccc1CCC(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000061883625 639727647 /nfs/dbraw/zinc/72/76/47/639727647.db2.gz VKZIXQVAOOYCSE-CABCVRRESA-N 1 0 260.381 2.171 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1c1nc(-c2ccc(O)c(F)c2)no1 ZINC000232348979 639915005 /nfs/dbraw/zinc/91/50/05/639915005.db2.gz WLGIZRHTCUESKE-ZJUUUORDSA-N 1 0 277.299 2.424 10 0 CEAERO CC(C)(C)OC(=O)N1CCC([NH2+]C[C@@H]2CCC[C@@H]2O)CC1 ZINC000089162754 640132941 /nfs/dbraw/zinc/13/29/41/640132941.db2.gz LRODSKLEKAYZFL-JSGCOSHPSA-N 1 0 298.427 2.137 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@H]1C(=O)NCCc1cccs1 ZINC000089386538 640360913 /nfs/dbraw/zinc/36/09/13/640360913.db2.gz ITWFOORXWPJABV-DGCLKSJQSA-N 1 0 266.410 2.172 10 0 CEAERO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000324263380 640381171 /nfs/dbraw/zinc/38/11/71/640381171.db2.gz IAVSXVFIAIAFMZ-LLVKDONJSA-N 1 0 288.432 2.286 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(-c2n[nH]c(C)n2)cc1 ZINC000154325937 640865466 /nfs/dbraw/zinc/86/54/66/640865466.db2.gz PUIDORVQANVJIO-TVQRCGJNSA-N 1 0 287.367 2.092 10 0 CEAERO CCOCC[N@@H+]1CCN(C/C=C/Cl)C[C@@H]1CC ZINC000105915056 640974180 /nfs/dbraw/zinc/97/41/80/640974180.db2.gz QNHKQSIBWQIHLH-GFUIURDCSA-N 1 0 260.809 2.172 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1cccc(Cl)c1F ZINC000261552277 641507197 /nfs/dbraw/zinc/50/71/97/641507197.db2.gz MVTGXEAJIGUELU-OIBJUYFYSA-N 1 0 256.708 2.041 10 0 CEAERO C(C[C@H]1CCCCO1)c1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000069403413 641539049 /nfs/dbraw/zinc/53/90/49/641539049.db2.gz XBKHQQXSKUAAHU-CHWSQXEVSA-N 1 0 279.384 2.113 10 0 CEAERO c1cnc2cc(-c3noc([C@@H]4CCC[NH2+]4)n3)ccc2n1 ZINC000070432498 641664483 /nfs/dbraw/zinc/66/44/83/641664483.db2.gz ADVMBHGFAMNCRO-NSHDSACASA-N 1 0 267.292 2.104 10 0 CEAERO CC(C)[C@@H]([NH3+])CNc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000070447981 641667037 /nfs/dbraw/zinc/66/70/37/641667037.db2.gz IONACMNDOZLPAQ-NSHDSACASA-N 1 0 292.351 2.078 10 0 CEAERO C[C@H]([NH2+]CC(=O)NC1CCCCCCC1)[C@H]1CCCO1 ZINC000183168573 641716793 /nfs/dbraw/zinc/71/67/93/641716793.db2.gz XZWRKLQMHCRBLR-DZGCQCFKSA-N 1 0 282.428 2.373 10 0 CEAERO COC[C@H](C)C(=O)O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183190167 641718033 /nfs/dbraw/zinc/71/80/33/641718033.db2.gz JYVRPFZBCKLWEG-HOCLYGCPSA-N 1 0 291.391 2.477 10 0 CEAERO COc1ccc([C@H](C)[NH2+]C[C@H](O)C2CC2)cc1OC ZINC000071299964 641739373 /nfs/dbraw/zinc/73/93/73/641739373.db2.gz ADHZURGQTDPZQJ-GWCFXTLKSA-N 1 0 265.353 2.125 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)NCc1ccc(SC)cc1 ZINC000083393704 642066486 /nfs/dbraw/zinc/06/64/86/642066486.db2.gz CKHGNFCZYQRXJV-GFCCVEGCSA-N 1 0 252.383 2.152 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]2CN(c3ccc(Br)cn3)C[C@@H]21 ZINC000230134111 642564790 /nfs/dbraw/zinc/56/47/90/642564790.db2.gz JTLDVDOKBBLDCL-ADEWGFFLSA-N 1 0 296.212 2.408 10 0 CEAERO CCS(=O)(=O)c1ccc(N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000111715940 643935856 /nfs/dbraw/zinc/93/58/56/643935856.db2.gz XFGNCVADPDRGMQ-CHWSQXEVSA-N 1 0 296.436 2.044 10 0 CEAERO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCS2(=O)=O)cc1F ZINC000126912288 651000008 /nfs/dbraw/zinc/00/00/08/651000008.db2.gz MPHSMJHZWAUGNM-DGCLKSJQSA-N 1 0 285.384 2.362 10 0 CEAERO [NH3+][C@H](CC(=O)N[C@H]1CCCc2ccccc21)C1CC1 ZINC000123629087 649081308 /nfs/dbraw/zinc/08/13/08/649081308.db2.gz HHBAWHARMAKDNE-CABCVRRESA-N 1 0 258.365 2.308 10 0 CEAERO [NH3+][C@H](CC(=O)N[C@@H]1CCCc2ccccc21)C1CC1 ZINC000123629263 649081416 /nfs/dbraw/zinc/08/14/16/649081416.db2.gz HHBAWHARMAKDNE-HUUCEWRRSA-N 1 0 258.365 2.308 10 0 CEAERO Cc1sc2ncnc(N3CC[C@@H]([C@@H](C)[NH3+])C3)c2c1C ZINC000127247793 651149930 /nfs/dbraw/zinc/14/99/30/651149930.db2.gz RNDRKHWSCTVRNF-MWLCHTKSSA-N 1 0 276.409 2.482 10 0 CEAERO C[C@@H]([NH2+]CC[S@@](C)=O)c1cccc(Br)c1 ZINC000128674819 651536003 /nfs/dbraw/zinc/53/60/03/651536003.db2.gz LAQRFZNSFDMOMQ-PSLIRLAXSA-N 1 0 290.226 2.478 10 0 CEAERO COc1c(CNCCC[N@@H+]2CCCC[C@@H]2C)c(C)nn1C ZINC000134108611 652771659 /nfs/dbraw/zinc/77/16/59/652771659.db2.gz IOELKBREURBIBN-ZDUSSCGKSA-N 1 0 294.443 2.091 10 0 CEAERO CC[C@]1(C)C[N@H+](C[C@](C)(O)c2ccccc2)CCO1 ZINC000135645535 652977877 /nfs/dbraw/zinc/97/78/77/652977877.db2.gz CIUDTPPOPVFTAJ-CVEARBPZSA-N 1 0 263.381 2.395 10 0 CEAERO [NH3+]CCC1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000216604551 652992825 /nfs/dbraw/zinc/99/28/25/652992825.db2.gz YYLZHHXSZJPDDT-LCYFTJDESA-N 1 0 294.420 2.048 10 0 CEAERO Cc1ccc(OC[C@@H](C)NC(=O)[C@@]2(C)CCCC[NH2+]2)cc1 ZINC000136178865 653049238 /nfs/dbraw/zinc/04/92/38/653049238.db2.gz AVXZNDJTHMQHRF-RHSMWYFYSA-N 1 0 290.407 2.411 10 0 CEAERO CCC[NH2+][C@@H](C)[C@H](C)S(=O)(=O)CC1CCCC1 ZINC000081991123 177915299 /nfs/dbraw/zinc/91/52/99/177915299.db2.gz AGOJCYSJTMGKNJ-RYUDHWBXSA-N 1 0 261.431 2.368 10 0 CEAERO COc1ccccc1[S@@](=O)CCCC[C@@H](C)[NH3+] ZINC000081999782 177916761 /nfs/dbraw/zinc/91/67/61/177916761.db2.gz BRNYGAZHIGSCFX-PIGZYNQJSA-N 1 0 255.383 2.320 10 0 CEAERO COc1cc(F)c([C@H](O)CC[NH2+]C(C)C)cc1F ZINC000082296150 177950505 /nfs/dbraw/zinc/95/05/05/177950505.db2.gz JRYSPAMDFBMURN-GFCCVEGCSA-N 1 0 259.296 2.395 10 0 CEAERO Cc1nc2ccccc2nc1N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227077743 282088358 /nfs/dbraw/zinc/08/83/58/282088358.db2.gz YAFCQAHAOVHHCC-CMPLNLGQSA-N 1 0 256.353 2.112 10 0 CEAERO [NH3+][C@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000082456783 178033690 /nfs/dbraw/zinc/03/36/90/178033690.db2.gz QRCKZRWIRPIZFS-GXSJLCMTSA-N 1 0 256.143 2.485 10 0 CEAERO C[C@@H]([NH2+]C1COC1)c1cccc(Br)c1 ZINC000082488150 178056668 /nfs/dbraw/zinc/05/66/68/178056668.db2.gz WDJPYLIBMWQJJQ-MRVPVSSYSA-N 1 0 256.143 2.499 10 0 CEAERO [NH3+]Cc1cc(I)ccc1OC1CC1 ZINC000095737921 185024285 /nfs/dbraw/zinc/02/42/85/185024285.db2.gz DCTZQWTVYPQKIG-UHFFFAOYSA-N 1 0 289.116 2.291 10 0 CEAERO CN(CC[NH+](C)C)c1cc(Br)ccc1C=O ZINC000082542205 178088964 /nfs/dbraw/zinc/08/89/64/178088964.db2.gz GAXGTPSEUYHJBO-UHFFFAOYSA-N 1 0 285.185 2.259 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc(Br)c1 ZINC000082558842 178095163 /nfs/dbraw/zinc/09/51/63/178095163.db2.gz RZZFYICZPPTNLK-LDYMZIIASA-N 1 0 283.169 2.243 10 0 CEAERO [NH3+]CCCc1noc(-c2sccc2Br)n1 ZINC000082614408 178126636 /nfs/dbraw/zinc/12/66/36/178126636.db2.gz GWRBTYBXJSHJPK-UHFFFAOYSA-N 1 0 288.170 2.452 10 0 CEAERO C[N@@H+]1CCCN(C(=O)N[C@H]2CCC23CCCC3)CC1 ZINC000336274698 365543022 /nfs/dbraw/zinc/54/30/22/365543022.db2.gz JRIGGIJSHZYYAV-ZDUSSCGKSA-N 1 0 265.401 2.056 10 0 CEAERO C[NH+](C)Cc1cnc2c(Br)cccn12 ZINC000082695736 178192323 /nfs/dbraw/zinc/19/23/23/178192323.db2.gz UIQUHRPDWKDQTR-UHFFFAOYSA-N 1 0 254.131 2.158 10 0 CEAERO [NH3+]C[C@@H](c1cnn(-c2ccccc2)c1)C(F)(F)F ZINC000082719120 178234139 /nfs/dbraw/zinc/23/41/39/178234139.db2.gz JCRQCLYJHZAXAL-NSHDSACASA-N 1 0 255.243 2.477 10 0 CEAERO COc1ccc(Cl)cc1[C@H]([NH3+])c1cnn(C)c1 ZINC000034957639 361800220 /nfs/dbraw/zinc/80/02/20/361800220.db2.gz HUMBLMWQESDRIF-GFCCVEGCSA-N 1 0 251.717 2.130 10 0 CEAERO O=[S@@](CC[NH2+]C1CC1)c1ccc(Br)cc1 ZINC000082747094 178269227 /nfs/dbraw/zinc/26/92/27/178269227.db2.gz YRQFUWAFVSTBLG-OAHLLOKOSA-N 1 0 288.210 2.309 10 0 CEAERO C[NH2+][C@H](C)C[S@@](=O)c1ccc(Br)cc1 ZINC000082747029 178269447 /nfs/dbraw/zinc/26/94/47/178269447.db2.gz DMHMXVDWDCCVIN-CLAHSXSESA-N 1 0 276.199 2.165 10 0 CEAERO COCC[N@@H+]1CC[C@@]2(CCN2Cc2ccc(F)cc2)C1 ZINC000096076056 185089249 /nfs/dbraw/zinc/08/92/49/185089249.db2.gz AGIAZTUWNSBWFH-MRXNPFEDSA-N 1 0 278.371 2.122 10 0 CEAERO CCC[NH2+][C@@H](CO)CSc1ccc(Cl)cn1 ZINC000082905439 178329520 /nfs/dbraw/zinc/32/95/20/178329520.db2.gz RWOGLZWIPPOWNP-JTQLQIEISA-N 1 0 260.790 2.188 10 0 CEAERO C[C@@H](C[C@](C)(O)C[NH3+])Sc1ccc(Cl)cn1 ZINC000082917631 178329598 /nfs/dbraw/zinc/32/95/98/178329598.db2.gz QFFKZEXHANQEHM-KWQFWETISA-N 1 0 260.790 2.315 10 0 CEAERO C[NH2+][C@](C)(CO)C[C@H](C)Sc1nc(C)cs1 ZINC000082903510 178329628 /nfs/dbraw/zinc/32/96/28/178329628.db2.gz IDIDYMLHMHOUAH-ONGXEEELSA-N 1 0 260.428 2.293 10 0 CEAERO [NH3+][C@]1(CCOc2ccc(Br)cc2)CCOC1 ZINC000083187057 178351936 /nfs/dbraw/zinc/35/19/36/178351936.db2.gz BIEQWJULVDNBCN-LBPRGKRZSA-N 1 0 286.169 2.336 10 0 CEAERO [NH3+][C@@]1(Cc2ccc(Br)s2)CCOC1 ZINC000083186990 178352130 /nfs/dbraw/zinc/35/21/30/178352130.db2.gz XJHLJSQQDGUKAL-SECBINFHSA-N 1 0 262.172 2.171 10 0 CEAERO Cc1ccc(N2N=[O+]C(=O)C2CNCc2ccccc2)cc1 ZINC000083251057 178369239 /nfs/dbraw/zinc/36/92/39/178369239.db2.gz NBFIWSLHONTDAT-UHFFFAOYSA-O 1 0 296.350 2.255 10 0 CEAERO CC[C@H](O)C[N@H+](CCCOC)Cc1ccc(OC)cc1 ZINC000036095224 361827222 /nfs/dbraw/zinc/82/72/22/361827222.db2.gz SJZAGXJZHRBLLS-HNNXBMFYSA-N 1 0 281.396 2.305 10 0 CEAERO CC[NH+](CC)CCCNC(=O)/C=C/c1ccc(N)cc1 ZINC000096746667 185111464 /nfs/dbraw/zinc/11/14/64/185111464.db2.gz HYRGKXSRMUCYAB-DHZHZOJOSA-N 1 0 275.396 2.130 10 0 CEAERO CC[C@@H]1CN(Cc2ccn(C(C)C)n2)CC[N@@H+]1CCOC ZINC000172014241 529397719 /nfs/dbraw/zinc/39/77/19/529397719.db2.gz KGHLJTDGRAKKSR-MRXNPFEDSA-N 1 0 294.443 2.007 10 0 CEAERO CC(C)CCOCCn1cncc1[C@H]1CC[NH2+]C1 ZINC000097023053 185154238 /nfs/dbraw/zinc/15/42/38/185154238.db2.gz JKWBPYMDIOBOLT-ZDUSSCGKSA-N 1 0 251.374 2.023 10 0 CEAERO CC1CCC(NC(=O)[C@@H]2CC[C@@H](C)[C@@H]([NH3+])C2)CC1 ZINC000097030664 185154407 /nfs/dbraw/zinc/15/44/07/185154407.db2.gz CYPSCHDSAYKPEK-RQASJOBOSA-N 1 0 252.402 2.445 10 0 CEAERO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)N2CCCC2)C12CCCC2 ZINC000125652982 187195147 /nfs/dbraw/zinc/19/51/47/187195147.db2.gz BQGHMCYDEOMTGT-LSDHHAIUSA-N 1 0 294.439 2.278 10 0 CEAERO CCC[C@H]([NH3+])C(=O)Nc1cnc2c(cnn2C(C)C)c1 ZINC000040833462 362003583 /nfs/dbraw/zinc/00/35/83/362003583.db2.gz NQNADFVNOYBKNF-LBPRGKRZSA-N 1 0 275.356 2.078 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cnc2c(cnn2C(C)C)c1 ZINC000040833454 362003891 /nfs/dbraw/zinc/00/38/91/362003891.db2.gz FRVXRQAPNQRUGS-GXFFZTMASA-N 1 0 289.383 2.324 10 0 CEAERO Cn1ncnc1C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000123370501 539176154 /nfs/dbraw/zinc/17/61/54/539176154.db2.gz BKZKQLOPRBWNPM-UHFFFAOYSA-N 1 0 262.279 2.026 10 0 CEAERO Cc1ccc(F)cc1C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000226458252 539172218 /nfs/dbraw/zinc/17/22/18/539172218.db2.gz URIZPXUDCOCVPT-ZDUSSCGKSA-N 1 0 264.344 2.348 10 0 CEAERO CCC(C)(C)NC(=O)N[C@@H]1CC[NH2+]CC[C@@H]1C(F)(F)F ZINC000725262758 539211646 /nfs/dbraw/zinc/21/16/46/539211646.db2.gz OPOFVQAGJWJCPK-VHSXEESVSA-N 1 0 295.349 2.405 10 0 CEAERO CCCCNC(=O)N1CCC[C@H]([C@]23CC[C@@H]2CC[NH2+]3)C1 ZINC000725263490 539212370 /nfs/dbraw/zinc/21/23/70/539212370.db2.gz JUJKVUWWPFETER-YCPHGPKFSA-N 1 0 279.428 2.350 10 0 CEAERO C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000402173831 290028867 /nfs/dbraw/zinc/02/88/67/290028867.db2.gz XKIZCFPRZRJKEZ-RQJABVFESA-N 1 0 298.427 2.399 10 0 CEAERO CC(C)(CNC(=O)[C@@H]1CCC[C@H]1[NH3+])c1cccs1 ZINC000126230548 187226212 /nfs/dbraw/zinc/22/62/12/187226212.db2.gz JQDBGSUWBVOTSW-GHMZBOCLSA-N 1 0 266.410 2.269 10 0 CEAERO CCC[C@H]([NH3+])C(=O)NCc1ccccc1OC(F)(F)F ZINC000040855960 362006854 /nfs/dbraw/zinc/00/68/54/362006854.db2.gz PORNBZSSBUYUJP-JTQLQIEISA-N 1 0 290.285 2.329 10 0 CEAERO Cc1nc(C)c(CN2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)o1 ZINC000311863335 539286748 /nfs/dbraw/zinc/28/67/48/539286748.db2.gz SHIORJJYCXYFSW-FZMZJTMJSA-N 1 0 263.385 2.350 10 0 CEAERO [NH3+]CC1(CCNc2nccc(C(F)(F)F)n2)CC1 ZINC000395889510 539293378 /nfs/dbraw/zinc/29/33/78/539293378.db2.gz RDBLAJJDKBRPBW-UHFFFAOYSA-N 1 0 260.263 2.036 10 0 CEAERO COC[C@H]([NH2+][C@H](C)CC[S@](C)=O)c1ccccc1 ZINC000287635093 293164146 /nfs/dbraw/zinc/16/41/46/293164146.db2.gz KOKXJQHOQDZUBE-IAISJRAMSA-N 1 0 269.410 2.121 10 0 CEAERO C[C@@H]([NH3+])Cc1c(Br)cncc1Br ZINC000044461778 362153715 /nfs/dbraw/zinc/15/37/15/362153715.db2.gz FYLZFVKKOKSMAH-RXMQYKEDSA-N 1 0 293.990 2.496 10 0 CEAERO C[NH+](C)CCNC(=O)c1nccc2c3ccccc3[nH]c21 ZINC000005957811 343355358 /nfs/dbraw/zinc/35/53/58/343355358.db2.gz UPKWSTRUHQQXIU-UHFFFAOYSA-N 1 0 282.347 2.008 10 0 CEAERO Nc1c[nH+]ccc1N1CCC(O)(c2ccccc2)CC1 ZINC000003634618 343352455 /nfs/dbraw/zinc/35/24/55/343352455.db2.gz MYPKWIMVQPPRCV-UHFFFAOYSA-N 1 0 269.348 2.152 10 0 CEAERO C[C@H](NCC[NH2+][C@@H](C)c1ccncc1)c1ccncc1 ZINC000022035251 343378542 /nfs/dbraw/zinc/37/85/42/343378542.db2.gz BFOGSPSCGNNNHA-KBPBESRZSA-N 1 0 270.380 2.478 10 0 CEAERO CC(=O)Nc1ccc2ccn(Cc3c[nH]cn3)c2c1 ZINC000034894403 343420645 /nfs/dbraw/zinc/42/06/45/343420645.db2.gz MULRBIJTPPVPHS-UHFFFAOYSA-N 1 0 254.293 2.371 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CCCC[NH2+]1)c1cc(F)ccc1F ZINC000037007631 343424954 /nfs/dbraw/zinc/42/49/54/343424954.db2.gz XVTNCKBLUXLPMI-ZANVPECISA-N 1 0 268.307 2.284 10 0 CEAERO COc1cc(C[NH2+][C@H]2CCC[C@H](O)C2)cc(OC)c1OC ZINC000037164264 343426265 /nfs/dbraw/zinc/42/62/65/343426265.db2.gz GOHAMCMBAWJBBY-STQMWFEESA-N 1 0 295.379 2.106 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)C2CC2)C1 ZINC000152200895 282262816 /nfs/dbraw/zinc/26/28/16/282262816.db2.gz LHBVEHZNUOUJIS-HOTGVXAUSA-N 1 0 272.392 2.343 10 0 CEAERO CC(C)[NH2+]CCC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000037618717 343429809 /nfs/dbraw/zinc/42/98/09/343429809.db2.gz XTGOXYIXLAZOOP-LBPRGKRZSA-N 1 0 292.379 2.023 10 0 CEAERO COc1ccnc2[nH]c([C@@H](C[NH3+])O[C@@H]3CCCCO3)cc21 ZINC000038341348 343434315 /nfs/dbraw/zinc/43/43/15/343434315.db2.gz ZYRVRQJQZZWLSI-ZIAGYGMSSA-N 1 0 291.351 2.115 10 0 CEAERO CCOc1ccccc1C(=O)N1CCCC[C@H]1C[NH3+] ZINC000044541939 343474181 /nfs/dbraw/zinc/47/41/81/343474181.db2.gz SISFZNOROGDMBS-LBPRGKRZSA-N 1 0 262.353 2.039 10 0 CEAERO O[C@@H](C[NH2+]C[C@@H]1CC=CCC1)COCc1ccco1 ZINC000045630321 343486423 /nfs/dbraw/zinc/48/64/23/343486423.db2.gz KYJUMSQGEWZNDR-KGLIPLIRSA-N 1 0 265.353 2.103 10 0 CEAERO CCCCOC[C@H](O)C[NH2+]CCc1cc(F)cc(F)c1 ZINC000227892170 539323451 /nfs/dbraw/zinc/32/34/51/539323451.db2.gz KYEISNLWPBDJRS-OAHLLOKOSA-N 1 0 287.350 2.275 10 0 CEAERO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(O)ccc3F)CC[C@@H]21 ZINC000295026386 199306115 /nfs/dbraw/zinc/30/61/15/199306115.db2.gz SAKNXDWHEZEYNV-NHYWBVRUSA-N 1 0 292.354 2.088 10 0 CEAERO Cc1ccccc1C[C@H](C)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054307594 343587473 /nfs/dbraw/zinc/58/74/73/343587473.db2.gz IFVVJPQUQSZLCT-GJZGRUSLSA-N 1 0 274.408 2.432 10 0 CEAERO Cc1ccccc1[C@H](C)[N@@H+]1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000128282686 365783676 /nfs/dbraw/zinc/78/36/76/365783676.db2.gz KKRNMBPMHJKKCQ-OAGGEKHMSA-N 1 0 276.424 2.443 10 0 CEAERO O=C(N[C@@H]1CC[NH2+]C1)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000126889068 187269458 /nfs/dbraw/zinc/26/94/58/187269458.db2.gz FNOBPZKOLZYPGF-AGIUHOORSA-N 1 0 298.308 2.287 10 0 CEAERO Cc1cc(N[C@@H]2CCN(C)C2=O)c2cc(F)ccc2[nH+]1 ZINC000126935707 187271551 /nfs/dbraw/zinc/27/15/51/187271551.db2.gz IQZBYYRLVZRQIY-CYBMUJFWSA-N 1 0 273.311 2.325 10 0 CEAERO CCC1CCC(NC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)CC1 ZINC000127005051 187275585 /nfs/dbraw/zinc/27/55/85/187275585.db2.gz ZUBJOQAESFEWCG-RYSNWHEDSA-N 1 0 252.402 2.460 10 0 CEAERO [NH3+]Cc1ccc(CNc2nc(C3CC3)ns2)cc1 ZINC000087639655 344107120 /nfs/dbraw/zinc/10/71/20/344107120.db2.gz YSNITKSDNZXGSQ-UHFFFAOYSA-N 1 0 260.366 2.486 10 0 CEAERO COC(=O)c1csc(CN2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000602450088 347037380 /nfs/dbraw/zinc/03/73/80/347037380.db2.gz HLPIEMDCSNCRRI-CYBMUJFWSA-N 1 0 294.420 2.205 10 0 CEAERO [NH2+]=C1N[C@H](c2ccc(NC(=O)c3ccccc3)cc2)CO1 ZINC000117020727 344287873 /nfs/dbraw/zinc/28/78/73/344287873.db2.gz OGGRNHXBMJAMJL-AWEZNQCLSA-N 1 0 281.315 2.325 10 0 CEAERO COC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC000116924536 344288019 /nfs/dbraw/zinc/28/80/19/344288019.db2.gz BIEPZFCAZKUWNM-RYUDHWBXSA-N 1 0 287.281 2.470 10 0 CEAERO C[C@@H]1CC([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C[C@@H](C)O1 ZINC000126105169 344322554 /nfs/dbraw/zinc/32/25/54/344322554.db2.gz YNUHAWMGIPEKLK-TZNMXHEESA-N 1 0 253.386 2.346 10 0 CEAERO C[C@H]([NH3+])[C@H](O)c1cc(Br)c(Br)o1 ZINC000129038710 344339941 /nfs/dbraw/zinc/33/99/41/344339941.db2.gz JEVIPJVYUJTVNJ-DZSWIPIPSA-N 1 0 298.962 2.185 10 0 CEAERO CCCC[C@H](CC)CNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129691434 344346127 /nfs/dbraw/zinc/34/61/27/344346127.db2.gz DZQCXOZWSHTVIO-AWEZNQCLSA-N 1 0 283.460 2.003 10 0 CEAERO COc1ccc(-c2noc([C@@H]3CCC[NH2+]3)n2)cc1C ZINC000129780687 344346727 /nfs/dbraw/zinc/34/67/27/344346727.db2.gz ZJTPIVQZTATSGZ-NSHDSACASA-N 1 0 259.309 2.478 10 0 CEAERO COC1CCC2(C[NH+]=C(N)N2Cc2ccccc2)CC1 ZINC000130460565 344352948 /nfs/dbraw/zinc/35/29/48/344352948.db2.gz XDVIJJLGHSUFAX-UHFFFAOYSA-N 1 0 273.380 2.145 10 0 CEAERO C[C@@H](c1ccc(Br)o1)N(C)C1C[NH2+]C1 ZINC000131818950 344360197 /nfs/dbraw/zinc/36/01/97/344360197.db2.gz UHRDGDQMTTVOTR-ZETCQYMHSA-N 1 0 259.147 2.007 10 0 CEAERO CCN1CCO[C@H](C[NH2+]Cc2ccc(C)cc2C)C1 ZINC000134438668 344374398 /nfs/dbraw/zinc/37/43/98/344374398.db2.gz KZARUQDRATZOQS-MRXNPFEDSA-N 1 0 262.397 2.114 10 0 CEAERO CCN1CCO[C@H](C[NH2+]Cc2cccc(C)c2C)C1 ZINC000134437204 344374439 /nfs/dbraw/zinc/37/44/39/344374439.db2.gz ASEGTQYJXUGLHM-MRXNPFEDSA-N 1 0 262.397 2.114 10 0 CEAERO CCCOc1cccc(C[NH2+]C[C@H]2CN(CC)CCO2)c1 ZINC000134435929 344374466 /nfs/dbraw/zinc/37/44/66/344374466.db2.gz JMPWGNHGRXOCHS-KRWDZBQOSA-N 1 0 292.423 2.286 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC000135365204 344381598 /nfs/dbraw/zinc/38/15/98/344381598.db2.gz YQWFVPDINDTKPU-HOCLYGCPSA-N 1 0 262.397 2.366 10 0 CEAERO C[C@@H](Cc1ccsc1)NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000136179391 344384249 /nfs/dbraw/zinc/38/42/49/344384249.db2.gz KJQVEDYQWPOIOI-SMDDNHRTSA-N 1 0 266.410 2.328 10 0 CEAERO C[N@H+](CCCNC(=O)[C@]1(C)CCCC[NH2+]1)C1CCCCC1 ZINC000136199890 344384346 /nfs/dbraw/zinc/38/43/46/344384346.db2.gz VSQWPUBXFMFZKO-KRWDZBQOSA-N 1 0 295.471 2.289 10 0 CEAERO COc1cc([C@H](C)[C@@H](C)[NH3+])c(OC)c2c1CCOC2 ZINC000138430791 344389882 /nfs/dbraw/zinc/38/98/82/344389882.db2.gz UZTUXQRLJCJMPW-NXEZZACHSA-N 1 0 265.353 2.227 10 0 CEAERO Cc1ccc(NC(=O)N[C@H]2C[C@@H]2C)c(OCC[NH+](C)C)c1 ZINC000154618631 344435313 /nfs/dbraw/zinc/43/53/13/344435313.db2.gz DYBAEOKVICCBPY-JSGCOSHPSA-N 1 0 291.395 2.465 10 0 CEAERO [NH3+]CC1(O)CCC(Oc2ccc(Cl)cc2)CC1 ZINC000145524264 344409272 /nfs/dbraw/zinc/40/92/72/344409272.db2.gz NWYYUQBCPFOOSK-UHFFFAOYSA-N 1 0 255.745 2.351 10 0 CEAERO O[C@]1(C2=CCCO2)CCC[N@H+](Cc2ccccc2)C1 ZINC000160544172 344459666 /nfs/dbraw/zinc/45/96/66/344459666.db2.gz MZTXRNGMSARMRQ-MRXNPFEDSA-N 1 0 259.349 2.318 10 0 CEAERO C[C@@H]1C[C@@H]1[C@H]([NH3+])Cc1cncc(Br)c1 ZINC000163882877 344471204 /nfs/dbraw/zinc/47/12/04/344471204.db2.gz MBZUPBBKFVSSSR-PPKCKEKNSA-N 1 0 255.159 2.370 10 0 CEAERO Cc1ccc([C@H](C[NH3+])N(C)C)cc1Br ZINC000164865673 344473078 /nfs/dbraw/zinc/47/30/78/344473078.db2.gz YYJAQWLNHFPUOZ-NSHDSACASA-N 1 0 257.175 2.319 10 0 CEAERO C[C@@H]([NH3+])C[C@@H](C)Nc1nnc(C(F)(F)F)s1 ZINC000168120560 344479736 /nfs/dbraw/zinc/47/97/36/344479736.db2.gz XXQGTFOOVZJUTO-RFZPGFLSSA-N 1 0 254.281 2.095 10 0 CEAERO CCOC(=O)Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000168383164 344480547 /nfs/dbraw/zinc/48/05/47/344480547.db2.gz VBSNZWZLCXJAMA-UHFFFAOYSA-N 1 0 265.353 2.123 10 0 CEAERO C[C@]1(Nc2ccc(Br)cn2)CC[NH2+]C1 ZINC000230748875 344573551 /nfs/dbraw/zinc/57/35/51/344573551.db2.gz HVDJVCVMWZTDBD-JTQLQIEISA-N 1 0 256.147 2.008 10 0 CEAERO C[C@H]([NH3+])[C@@H](O)c1c(Cl)cccc1Br ZINC000218531834 344536846 /nfs/dbraw/zinc/53/68/46/344536846.db2.gz LVGDBZMUPJXLPR-SSDLBLMSSA-N 1 0 264.550 2.483 10 0 CEAERO CCc1ccc(CNC(=O)C2CCC([NH3+])CC2)s1 ZINC000224039689 344543531 /nfs/dbraw/zinc/54/35/31/344543531.db2.gz BOJJNLBDGGAJNQ-UHFFFAOYSA-N 1 0 266.410 2.444 10 0 CEAERO CC1=[N+]([O-])C(C)(C)[N+](O)=C1c1ccc(Cl)cc1 ZINC000225400396 344545484 /nfs/dbraw/zinc/54/54/84/344545484.db2.gz OZXYERWOWNTHAP-UHFFFAOYSA-N 1 0 254.717 2.143 10 0 CEAERO CNc1cc(-n2cc(Br)cn2)cc[nH+]1 ZINC000227667607 344556157 /nfs/dbraw/zinc/55/61/57/344556157.db2.gz RAAVMZICSYXOIT-UHFFFAOYSA-N 1 0 253.103 2.072 10 0 CEAERO C[C@@]1(c2ccc(I)cc2)C[C@@H]1[NH3+] ZINC000235419123 344590850 /nfs/dbraw/zinc/59/08/50/344590850.db2.gz LBCQXQKYWYKXRD-UWVGGRQHSA-N 1 0 273.117 2.280 10 0 CEAERO C[C@H](C[NH3+])Nc1cc(Br)cnc1Cl ZINC000235464903 344591444 /nfs/dbraw/zinc/59/14/44/344591444.db2.gz ZLJFBHLZNTXNAK-RXMQYKEDSA-N 1 0 264.554 2.257 10 0 CEAERO CCOC(=O)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000234009116 344582871 /nfs/dbraw/zinc/58/28/71/344582871.db2.gz YUWYVWHNLHNHBZ-SWLSCSKDSA-N 1 0 279.380 2.214 10 0 CEAERO CCOC(=O)C[C@@H](O)C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000234012104 344583137 /nfs/dbraw/zinc/58/31/37/344583137.db2.gz AHWBEJBKZMTJDD-RKDXNWHRSA-N 1 0 291.800 2.366 10 0 CEAERO CC[C@H]([NH3+])[C@H](O)c1cc(F)ccc1Br ZINC000234061226 344583459 /nfs/dbraw/zinc/58/34/59/344583459.db2.gz VGZLZTQBPLAPGN-VHSXEESVSA-N 1 0 262.122 2.359 10 0 CEAERO CC(C)(C)OC(=O)N1C[C@]2(CC[NH2+]C2)CC(F)(F)C1 ZINC000238172209 344606301 /nfs/dbraw/zinc/60/63/01/344606301.db2.gz QPRMAYYTQKKTQZ-GFCCVEGCSA-N 1 0 276.327 2.242 10 0 CEAERO C[C@@H]1Cc2cc(I)ccc2C[NH2+]1 ZINC000238405016 344606624 /nfs/dbraw/zinc/60/66/24/344606624.db2.gz QWRZONKYFUZKAH-SSDOTTSWSA-N 1 0 273.117 2.325 10 0 CEAERO [NH3+]Cc1ccc(Br)c(OC(F)(F)F)n1 ZINC000238676609 344607664 /nfs/dbraw/zinc/60/76/64/344607664.db2.gz VLRIDYBIAHDOGD-UHFFFAOYSA-N 1 0 271.036 2.201 10 0 CEAERO COC[C@H](C)C[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249458976 344629340 /nfs/dbraw/zinc/62/93/40/344629340.db2.gz FAHZASHHHQSESM-XBFCOCLRSA-N 1 0 269.410 2.038 10 0 CEAERO [NH3+][C@@H]1C[C@@H]1c1cccc(I)c1 ZINC000307089457 344720094 /nfs/dbraw/zinc/72/00/94/344720094.db2.gz VEFCTWCDXVTTGZ-RKDXNWHRSA-N 1 0 259.090 2.106 10 0 CEAERO C/C(=C/c1ncc(I)s1)[C@@H](C)[NH3+] ZINC000308122013 344725576 /nfs/dbraw/zinc/72/55/76/344725576.db2.gz RBBDOEGCSMVZMT-CWVDAHFDSA-N 1 0 294.161 2.498 10 0 CEAERO CCS[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000300409340 344699804 /nfs/dbraw/zinc/69/98/04/344699804.db2.gz XMMNZZHGLWSBQQ-QNWHQSFQSA-N 1 0 270.442 2.152 10 0 CEAERO [NH3+]C[C@@]1(CO)C[C@H]1c1cc(Cl)sc1Cl ZINC000306239861 344712693 /nfs/dbraw/zinc/71/26/93/344712693.db2.gz QNLYCMJKIIOMMY-IMTBSYHQSA-N 1 0 252.166 2.480 10 0 CEAERO C[C@@H]1C[NH2+][C@@]2(CCN(C(=O)OC(C)(C)C)C2)S1 ZINC000306586130 344714976 /nfs/dbraw/zinc/71/49/76/344714976.db2.gz RDBUOXUHBWPXHS-SKDRFNHKSA-N 1 0 258.387 2.048 10 0 CEAERO C[C@@H](NC(N)=[NH2+])c1ccc(Br)cc1F ZINC000306955156 344718879 /nfs/dbraw/zinc/71/88/79/344718879.db2.gz PXFHFUVEXPZBEJ-RXMQYKEDSA-N 1 0 260.110 2.132 10 0 CEAERO CCOCOc1ccc(CC[NH3+])cc1Br ZINC000083756427 178741807 /nfs/dbraw/zinc/74/18/07/178741807.db2.gz HWZXUDGUHGFHQN-UHFFFAOYSA-N 1 0 274.158 2.323 10 0 CEAERO C[C@H](O)[C@](C)(C[NH3+])Cc1ccc(Br)cc1F ZINC000083777588 178746219 /nfs/dbraw/zinc/74/62/19/178746219.db2.gz QOEMVIIFIBWQOA-UFBFGSQYSA-N 1 0 290.176 2.477 10 0 CEAERO CC(C)C1CCC([NH2+][C@@H]2CCCN(CCO)C2)CC1 ZINC000384800882 344829028 /nfs/dbraw/zinc/82/90/28/344829028.db2.gz YKLCOFMRMGFAFS-UYSNPLJNSA-N 1 0 268.445 2.248 10 0 CEAERO CC[C@@H]1CN(c2c(F)cccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000388039733 344833195 /nfs/dbraw/zinc/83/31/95/344833195.db2.gz YMDXOPXQNQMTFZ-MWLCHTKSSA-N 1 0 267.304 2.298 10 0 CEAERO CC[C@](C)(C[NH3+])NC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000083876872 178756854 /nfs/dbraw/zinc/75/68/54/178756854.db2.gz KJNLPBVCYQPHBF-CYBMUJFWSA-N 1 0 288.313 2.492 10 0 CEAERO O=C(CC1C[NH2+]C1)Nc1ccccc1OCC(F)(F)F ZINC000083948476 178766012 /nfs/dbraw/zinc/76/60/12/178766012.db2.gz HLWJSYKILGJPJE-UHFFFAOYSA-N 1 0 288.269 2.176 10 0 CEAERO CC[C@@H]([NH3+])Cc1nc(Cc2ccc(F)cc2F)no1 ZINC000083882606 178758341 /nfs/dbraw/zinc/75/83/41/178758341.db2.gz IXTXJSYGELBWFH-SNVBAGLBSA-N 1 0 267.279 2.218 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)Nc1ncccc1Br ZINC000083891785 178760296 /nfs/dbraw/zinc/76/02/96/178760296.db2.gz GMSVEUCFQMKWHV-MRVPVSSYSA-N 1 0 286.173 2.158 10 0 CEAERO C[NH2+][C@@H]1CCC[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000403277808 344874690 /nfs/dbraw/zinc/87/46/90/344874690.db2.gz QQLWTGKOMTYRPF-NWDGAFQWSA-N 1 0 272.348 2.061 10 0 CEAERO CC[NH2+][C@H](CC)C[S@](=O)c1ccc(F)cc1F ZINC000084032000 178773187 /nfs/dbraw/zinc/77/31/87/178773187.db2.gz HOKIFXLHFJOOTG-BMLIUANNSA-N 1 0 261.337 2.461 10 0 CEAERO CC[NH2+][C@@H](CC)C[S@](=O)c1cccc(OC)c1 ZINC000084002959 178769846 /nfs/dbraw/zinc/76/98/46/178769846.db2.gz ILTIIXIIWWYIJL-APPDUMDISA-N 1 0 255.383 2.191 10 0 CEAERO CC[NH2+][C@@H](C[S@](=O)c1cccc(C)c1)C1CC1 ZINC000084049032 178778827 /nfs/dbraw/zinc/77/88/27/178778827.db2.gz CMFQTVFYRDJFII-WMLDXEAASA-N 1 0 251.395 2.491 10 0 CEAERO CCC[C@](C[NH3+])(C(=O)OCC)c1cccc(OC)c1 ZINC000584595469 344961280 /nfs/dbraw/zinc/96/12/80/344961280.db2.gz YGDDAVYDQVEEPG-OAHLLOKOSA-N 1 0 265.353 2.255 10 0 CEAERO CN1C(=O)[C@H]([NH3+])[C@@H]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]21 ZINC000584640103 344971639 /nfs/dbraw/zinc/97/16/39/344971639.db2.gz PKGATXGVSMIGRV-XHJNMGKDSA-N 1 0 250.386 2.151 10 0 CEAERO CCOC(=O)[C@H](CC)Oc1cc(C[C@H](C)[NH3+])ccc1OC ZINC000084105998 178792726 /nfs/dbraw/zinc/79/27/26/178792726.db2.gz KOXCONCMPHIMQG-AAEUAGOBSA-N 1 0 295.379 2.305 10 0 CEAERO Cc1cc(Br)cc2c(N)c(N)c[nH+]c12 ZINC000584882551 344996406 /nfs/dbraw/zinc/99/64/06/344996406.db2.gz KKADXQUADZDVRC-UHFFFAOYSA-N 1 0 252.115 2.470 10 0 CEAERO CC(C)([NH3+])CC(=O)N[C@@H]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000084165478 178811352 /nfs/dbraw/zinc/81/13/52/178811352.db2.gz OIBLGFDTJCONQL-NXEZZACHSA-N 1 0 296.333 2.120 10 0 CEAERO Cc1ccc(NC(=O)C[C@H]2CCC[NH2+]C2)c(F)c1 ZINC000054290615 362521313 /nfs/dbraw/zinc/52/13/13/362521313.db2.gz UTIZRSVUCMRMQI-LLVKDONJSA-N 1 0 250.317 2.462 10 0 CEAERO CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](C)[NH2+]C ZINC000054074753 362508469 /nfs/dbraw/zinc/50/84/69/362508469.db2.gz JKLWZJHWJMYBLI-MRVPVSSYSA-N 1 0 260.790 2.358 10 0 CEAERO CN(CCOc1cccc(F)c1)C(=O)CC1([NH3+])CCCC1 ZINC000084182026 178817132 /nfs/dbraw/zinc/81/71/32/178817132.db2.gz MFKHOVOTMOWDQB-UHFFFAOYSA-N 1 0 294.370 2.325 10 0 CEAERO Cc1nc(CN(C)C(=O)CC2([NH3+])CCCCC2)cs1 ZINC000084185421 178819657 /nfs/dbraw/zinc/81/96/57/178819657.db2.gz FQEFAJJLPLIOEH-UHFFFAOYSA-N 1 0 281.425 2.462 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)N1CCC[C@@H]1c1ccncc1 ZINC000054306195 362525314 /nfs/dbraw/zinc/52/53/14/362525314.db2.gz BBGBENKMKFUEIV-UKRRQHHQSA-N 1 0 273.380 2.135 10 0 CEAERO COc1cc(C)c(NC(=O)C[C@H]2CCC[NH2+]C2)cc1OC ZINC000054307116 362525376 /nfs/dbraw/zinc/52/53/76/362525376.db2.gz KRXALCIRSIKNMV-GFCCVEGCSA-N 1 0 292.379 2.340 10 0 CEAERO COc1cccc([C@@H](C)NC(=O)C[C@@H]2CCC[NH2+]C2)c1 ZINC000054307554 362526549 /nfs/dbraw/zinc/52/65/49/362526549.db2.gz JQJIAGQMXIXCKQ-OLZOCXBDSA-N 1 0 276.380 2.262 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)CSCCC(C)C)C1 ZINC000056986333 362568376 /nfs/dbraw/zinc/56/83/76/362568376.db2.gz BEIKNJNXKQIOGE-ZDUSSCGKSA-N 1 0 272.458 2.366 10 0 CEAERO CC(C)c1nnsc1[C@H]([NH3+])CC1CCOCC1 ZINC000097066821 185519990 /nfs/dbraw/zinc/51/99/90/185519990.db2.gz KHCLHVXDHHYWRY-SNVBAGLBSA-N 1 0 255.387 2.478 10 0 CEAERO Cc1nn(C)c(C[C@H](C)[C@@H](C)[NH3+])c1Br ZINC000084271587 178838393 /nfs/dbraw/zinc/83/83/93/178838393.db2.gz OSWIJHLYXUPGFF-NKWVEPMBSA-N 1 0 260.179 2.017 10 0 CEAERO Cc1nn(C)c(CC[NH2+]C(C)C)c1Br ZINC000084274038 178839382 /nfs/dbraw/zinc/83/93/82/178839382.db2.gz JBXSXQKSWOSHEB-UHFFFAOYSA-N 1 0 260.179 2.032 10 0 CEAERO Cc1nn(C)c(C[C@H]([NH3+])C(C)(C)C)c1Br ZINC000084273689 178839712 /nfs/dbraw/zinc/83/97/12/178839712.db2.gz OSOHAVCJZXKKJX-VIFPVBQESA-N 1 0 274.206 2.407 10 0 CEAERO CC(C)c1ccc(S(=O)(=O)[C@H](C)CC[NH3+])cc1 ZINC000084267552 178835332 /nfs/dbraw/zinc/83/53/32/178835332.db2.gz GJBHYPNXWYHCCE-LLVKDONJSA-N 1 0 255.383 2.321 10 0 CEAERO CC[NH+](CC)[C@@H](C)C[C@](C)(NC(C)C)C(=O)OC ZINC000084299908 178849929 /nfs/dbraw/zinc/84/99/29/178849929.db2.gz CAACWSMDPJTABC-JSGCOSHPSA-N 1 0 258.406 2.037 10 0 CEAERO CCc1nnc(NCc2ccc3c(c2)C[NH2+]C3)nc1CC ZINC000097838141 232187120 /nfs/dbraw/zinc/18/71/20/232187120.db2.gz YENJITOMMDLMIL-UHFFFAOYSA-N 1 0 283.379 2.212 10 0 CEAERO [NH3+][C@@H]1CC[C@H](S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000084433636 178887793 /nfs/dbraw/zinc/88/77/93/178887793.db2.gz YHFPZDMASQNKGK-HIFRSBDPSA-N 1 0 275.373 2.493 10 0 CEAERO CCCc1ccc(O[C@H](C)C[C@](C)([NH2+]C)C(N)=O)cc1 ZINC000084397072 178882187 /nfs/dbraw/zinc/88/21/87/178882187.db2.gz OMKJFEZYOKYOIO-WBMJQRKESA-N 1 0 278.396 2.260 10 0 CEAERO Cc1ccc(C)c(S(=O)(=O)[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000084429916 178885735 /nfs/dbraw/zinc/88/57/35/178885735.db2.gz ALIWRQWAXCQVQQ-CHWSQXEVSA-N 1 0 267.394 2.347 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H](S(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000084430120 178885890 /nfs/dbraw/zinc/88/58/90/178885890.db2.gz FYGZHRVMJYMFBH-RKDXNWHRSA-N 1 0 275.320 2.008 10 0 CEAERO CC[NH2+][C@@H]1CCC[C@@H](S(=O)(=O)c2cccc(OC)c2)C1 ZINC000084430000 178886094 /nfs/dbraw/zinc/88/60/94/178886094.db2.gz KZZGIPJUJIOVQA-TZMCWYRMSA-N 1 0 297.420 2.390 10 0 CEAERO CCC[NH2+][C@@H](c1ccnn1CC)c1cc(C)nnc1C ZINC000097186870 185557711 /nfs/dbraw/zinc/55/77/11/185557711.db2.gz VSQZJBULQAIOEE-OAHLLOKOSA-N 1 0 273.384 2.399 10 0 CEAERO [NH3+]C[C@H](O)c1cc(Cl)ccc1Br ZINC000084586283 178900841 /nfs/dbraw/zinc/90/08/41/178900841.db2.gz WLPKHCKALQRWRI-QMMMGPOBSA-N 1 0 250.523 2.095 10 0 CEAERO C[C@@](O)(CC[NH3+])c1cc(Br)ccc1F ZINC000084625619 178906567 /nfs/dbraw/zinc/90/65/67/178906567.db2.gz KZVZOKCKPDMJMX-SNVBAGLBSA-N 1 0 262.122 2.145 10 0 CEAERO C[NH+]1CCN(Cc2cc(N)cc(C(F)(F)F)c2)CC1 ZINC000059828549 362652535 /nfs/dbraw/zinc/65/25/35/362652535.db2.gz DYBVNOUCRJYHCQ-UHFFFAOYSA-N 1 0 273.302 2.035 10 0 CEAERO CCc1nn(C)c(C[C@H](C[C@H](C)COC)[NH2+]C)c1Cl ZINC000097276347 185576953 /nfs/dbraw/zinc/57/69/53/185576953.db2.gz CPCLNXXLBLPOCV-QWRGUYRKSA-N 1 0 287.835 2.439 10 0 CEAERO C[NH2+][C@H](Cc1ncnn1C)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000097275453 185577025 /nfs/dbraw/zinc/57/70/25/185577025.db2.gz FDYCORARNNALPY-OUAUKWLOSA-N 1 0 290.333 2.314 10 0 CEAERO [NH3+]Cc1cn(CC(=O)N2CCCCC2)c2ccccc12 ZINC000084848160 178929367 /nfs/dbraw/zinc/92/93/67/178929367.db2.gz XOUAZTIOOMVRQY-UHFFFAOYSA-N 1 0 271.364 2.113 10 0 CEAERO CCc1nnsc1[C@H]([NH3+])[C@H]1CCOC2(CCOCC2)C1 ZINC000097310663 185583494 /nfs/dbraw/zinc/58/34/94/185583494.db2.gz YLIIBYMCFVQQKH-CMPLNLGQSA-N 1 0 297.424 2.076 10 0 CEAERO COc1cccc(F)c1[C@@H](C)N1CCC([NH3+])CC1 ZINC000084945650 178933858 /nfs/dbraw/zinc/93/38/58/178933858.db2.gz IIRPHYSGZUVMAK-SNVBAGLBSA-N 1 0 252.333 2.318 10 0 CEAERO C[C@H]1CC([NH2+]CC(=O)NCC(F)(F)F)C[C@@H](C)C1 ZINC000084974778 178936781 /nfs/dbraw/zinc/93/67/81/178936781.db2.gz RIJONGLHNFORPZ-ULKQDVFKSA-N 1 0 266.307 2.079 10 0 CEAERO CC(C)COC[C@@H](O)C[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000084974855 178936881 /nfs/dbraw/zinc/93/68/81/178936881.db2.gz QYOHAUNGUHXJSD-NFAWXSAZSA-N 1 0 257.418 2.434 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CNc3[nH+]ccn32)C1 ZINC000232498654 539495329 /nfs/dbraw/zinc/49/53/29/539495329.db2.gz JHRQBHCLBBCKOC-QWRGUYRKSA-N 1 0 278.356 2.107 10 0 CEAERO Cc1nn(C)c(Cl)c1C[C@H]([NH3+])CCc1ccco1 ZINC000097391811 185597440 /nfs/dbraw/zinc/59/74/40/185597440.db2.gz GBVFCOZZJSHZNE-SNVBAGLBSA-N 1 0 267.760 2.478 10 0 CEAERO CCN(CC)CC[NH2+][C@]1(CO)CC[C@H](C)C[C@@H]1C ZINC000085114538 178951307 /nfs/dbraw/zinc/95/13/07/178951307.db2.gz JNBFKPYPLTULTO-KKUMJFAQSA-N 1 0 256.434 2.105 10 0 CEAERO COC(=O)C[C@@]1(C[NH3+])CCC[C@H](C(F)(F)F)C1 ZINC000097430491 185601244 /nfs/dbraw/zinc/60/12/44/185601244.db2.gz PHIPIBQILUKERF-WCBMZHEXSA-N 1 0 253.264 2.247 10 0 CEAERO Cc1ccccc1SCC(=[NH2+])N1CCOCC1 ZINC000097429831 185601924 /nfs/dbraw/zinc/60/19/24/185601924.db2.gz DCSJCTBUGPTNQH-UHFFFAOYSA-N 1 0 250.367 2.397 10 0 CEAERO COC(=O)C[C@H](c1cccc(OC(C)C)c1)[C@@H](C)[NH3+] ZINC000097431168 185602010 /nfs/dbraw/zinc/60/20/10/185602010.db2.gz AGCASWNLXDNARC-RISCZKNCSA-N 1 0 265.353 2.468 10 0 CEAERO CC(C)[C@@H]([NH3+])CCN(C)c1nnc(C(F)F)s1 ZINC000310318992 201870017 /nfs/dbraw/zinc/87/00/17/201870017.db2.gz WBNPYQPAMUMPJG-ZETCQYMHSA-N 1 0 264.345 2.285 10 0 CEAERO Nc1ccc(CN2CC[C@H]([NH+]3CCCC3)C2)c(F)c1 ZINC000085146545 178956629 /nfs/dbraw/zinc/95/66/29/178956629.db2.gz ZAFYOPIFIDDTOP-AWEZNQCLSA-N 1 0 263.360 2.078 10 0 CEAERO Cc1c([C@H]([NH3+])c2cccc3c2OCCC3)cnn1C ZINC000097451298 185608756 /nfs/dbraw/zinc/60/87/56/185608756.db2.gz VQZMRPQUBBEQRU-CQSZACIVSA-N 1 0 257.337 2.102 10 0 CEAERO CSC(C)(C)CNC(=O)C1CCC(C[NH3+])CC1 ZINC000097467488 185611590 /nfs/dbraw/zinc/61/15/90/185611590.db2.gz WTSMBYBKVBUIHE-UHFFFAOYSA-N 1 0 258.431 2.009 10 0 CEAERO CCc1nnc(CN(CC[NH+](CC)CC)CC(C)C)n1C ZINC000177096911 232343470 /nfs/dbraw/zinc/34/34/70/232343470.db2.gz UNJMBNXDNAZACL-UHFFFAOYSA-N 1 0 295.475 2.177 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCCN(CC(F)(F)F)C1CC1 ZINC000085241667 178982901 /nfs/dbraw/zinc/98/29/01/178982901.db2.gz LFNMLKIERUPNGB-GFCCVEGCSA-N 1 0 282.350 2.154 10 0 CEAERO NN[C@H](CC1CCOCC1)C1([NH+]2CCCCC2)CCCC1 ZINC000097588570 185633978 /nfs/dbraw/zinc/63/39/78/185633978.db2.gz WLINWXBTHXOEAI-MRXNPFEDSA-N 1 0 295.471 2.434 10 0 CEAERO CC[NH+](CC)CC[C@@H](NN)c1cccc2ncccc21 ZINC000097592022 185634285 /nfs/dbraw/zinc/63/42/85/185634285.db2.gz QKCVRXQVWNNAEQ-MRXNPFEDSA-N 1 0 272.396 2.471 10 0 CEAERO CC(C)[NH2+][C@H](CO)CCOc1ccc2c(c1)CCC2 ZINC000085282551 179000247 /nfs/dbraw/zinc/00/02/47/179000247.db2.gz UDEXHOUIFDAJEC-HNNXBMFYSA-N 1 0 263.381 2.303 10 0 CEAERO C[NH2+][C@](C)(CO)CCOc1ccccc1C(F)(F)F ZINC000085282966 179000635 /nfs/dbraw/zinc/00/06/35/179000635.db2.gz CKQUFUXNMWYIOY-LBPRGKRZSA-N 1 0 277.286 2.445 10 0 CEAERO COc1ccc(OC[C@](C)([NH3+])CO)c(C(C)(C)C)c1 ZINC000085283105 179001042 /nfs/dbraw/zinc/00/10/42/179001042.db2.gz YIBKSCVJRCNSOQ-OAHLLOKOSA-N 1 0 267.369 2.081 10 0 CEAERO CC[NH2+][C@@](CO)(COc1cccc(C)c1C)C1CC1 ZINC000085283840 179001387 /nfs/dbraw/zinc/00/13/87/179001387.db2.gz QZRFBUBIKNBBBI-INIZCTEOSA-N 1 0 263.381 2.433 10 0 CEAERO COc1cccc(OCC[C@](C)(CO)[NH2+]C(C)C)c1 ZINC000085284035 179001903 /nfs/dbraw/zinc/00/19/03/179001903.db2.gz PARIFSJPQZNKAJ-OAHLLOKOSA-N 1 0 267.369 2.213 10 0 CEAERO C[NH2+][C@@H](CO)CCOc1ccc(C(C)(C)C)cc1 ZINC000085284353 179002025 /nfs/dbraw/zinc/00/20/25/179002025.db2.gz QTJZDCHZPHQFDO-CYBMUJFWSA-N 1 0 251.370 2.333 10 0 CEAERO CC[NH2+][C@](C)(CO)C[C@@H](C)Oc1ccccc1F ZINC000085284408 179002451 /nfs/dbraw/zinc/00/24/51/179002451.db2.gz UNLXEBVTXYNOIG-RISCZKNCSA-N 1 0 255.333 2.344 10 0 CEAERO C[NH2+][C@@](C)(CO)CCCOc1cc(C)ccc1C ZINC000085284603 179002670 /nfs/dbraw/zinc/00/26/70/179002670.db2.gz KYDRHLKGRXWGDE-OAHLLOKOSA-N 1 0 251.370 2.433 10 0 CEAERO CC[NH2+][C@@](CO)(COC1CCC(C)CC1)C1CC1 ZINC000085269567 178997986 /nfs/dbraw/zinc/99/79/86/178997986.db2.gz SSCXDXSJGJPRAC-ZALBZXLWSA-N 1 0 255.402 2.332 10 0 CEAERO CCOc1ccc([C@H](CC[NH+](CC)CC)NN)cc1 ZINC000097591784 185634404 /nfs/dbraw/zinc/63/44/04/185634404.db2.gz SPTHRSBHBYUJQC-HNNXBMFYSA-N 1 0 265.401 2.322 10 0 CEAERO CC[NH2+][C@@](C)(CO)C[C@@H](C)Oc1ccc(OC)cc1 ZINC000085285630 179003549 /nfs/dbraw/zinc/00/35/49/179003549.db2.gz CQXPEHMLASHUAU-IUODEOHRSA-N 1 0 267.369 2.213 10 0 CEAERO Cc1cc(S[C@@H](C)C[C@](C)(CO)[NH2+]C2CC2)n(C)n1 ZINC000085289503 179006072 /nfs/dbraw/zinc/00/60/72/179006072.db2.gz LPFHWMMPHPKRAZ-SMDDNHRTSA-N 1 0 283.441 2.102 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)C[C@H](C)SC1CCOCC1 ZINC000085290173 179006487 /nfs/dbraw/zinc/00/64/87/179006487.db2.gz ZQEJFOSUQXTVMX-GXTWGEPZSA-N 1 0 275.458 2.426 10 0 CEAERO CCC[NH2+][C@@](C)(CO)C[C@@H](C)SCCCOC ZINC000085290044 179006604 /nfs/dbraw/zinc/00/66/04/179006604.db2.gz KUIBQGIEHWRZJT-CHWSQXEVSA-N 1 0 263.447 2.285 10 0 CEAERO C[NH2+][C@@](CO)(CSc1ccc(C)cc1)C1CC1 ZINC000085290746 179006610 /nfs/dbraw/zinc/00/66/10/179006610.db2.gz YNVLTYFBKLZAFT-AWEZNQCLSA-N 1 0 251.395 2.448 10 0 CEAERO CC(C)[NH2+][C@H](CO)CSc1nc2ccccc2[nH]1 ZINC000085291685 179007242 /nfs/dbraw/zinc/00/72/42/179007242.db2.gz XXOPXEFSXATLRK-SNVBAGLBSA-N 1 0 265.382 2.014 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)C[C@@H](C)Sc1cnn(C)c1 ZINC000085297654 179009032 /nfs/dbraw/zinc/00/90/32/179009032.db2.gz VVPRVQXKWGAFJG-YPMHNXCESA-N 1 0 271.430 2.040 10 0 CEAERO CCC[NH2+][C@](C)(CO)C[C@H](C)Sc1ncc(C)cn1 ZINC000085297829 179009225 /nfs/dbraw/zinc/00/92/25/179009225.db2.gz DJBMQUWDDGJLDS-JSGCOSHPSA-N 1 0 283.441 2.406 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)C[C@H](C)Sc1cnn(C)c1 ZINC000085297657 179009333 /nfs/dbraw/zinc/00/93/33/179009333.db2.gz VVPRVQXKWGAFJG-AAEUAGOBSA-N 1 0 271.430 2.040 10 0 CEAERO [NH3+][C@@](CO)(COc1ccc(F)cc1)c1ccccc1 ZINC000085285128 179002856 /nfs/dbraw/zinc/00/28/56/179002856.db2.gz OFCJOSYLCXCWHL-HNNXBMFYSA-N 1 0 261.296 2.051 10 0 CEAERO CC[NH2+][C@](C)(CO)CCCOc1ccc(F)cc1 ZINC000085285172 179002862 /nfs/dbraw/zinc/00/28/62/179002862.db2.gz PGNAWFWQNFETCW-AWEZNQCLSA-N 1 0 255.333 2.345 10 0 CEAERO COc1cc(C)ccc1OCCCC[C@@](C)([NH3+])CO ZINC000085286043 179003179 /nfs/dbraw/zinc/00/31/79/179003179.db2.gz PXLAJHIYJVEDKK-OAHLLOKOSA-N 1 0 267.369 2.262 10 0 CEAERO [NH3+]C[C@@](O)(COc1ccc2c(c1)CCCC2)C1CC1 ZINC000085305476 179011984 /nfs/dbraw/zinc/01/19/84/179011984.db2.gz GZJVCUUPDNTGNU-MRXNPFEDSA-N 1 0 261.365 2.044 10 0 CEAERO C[C@H](C[C@@](C)(O)C[NH3+])n1ccnc1-c1cccs1 ZINC000085304877 179012068 /nfs/dbraw/zinc/01/20/68/179012068.db2.gz BAVICYURKGTYHV-ZWNOBZJWSA-N 1 0 265.382 2.272 10 0 CEAERO Cc1ccc(C(C)(C)C)c(OCC[C@@H](O)C[NH3+])c1 ZINC000085305517 179012122 /nfs/dbraw/zinc/01/21/22/179012122.db2.gz OVDQYYSPCFTPDH-GFCCVEGCSA-N 1 0 251.370 2.381 10 0 CEAERO CCCOc1ccccc1O[C@@H](C)C[C@@](C)(O)C[NH3+] ZINC000085306140 179012854 /nfs/dbraw/zinc/01/28/54/179012854.db2.gz DAGWBSNWHZAQQT-SWLSCSKDSA-N 1 0 267.369 2.343 10 0 CEAERO [NH3+]C[C@@](O)(COc1ccc(F)cc1)c1ccccc1 ZINC000085307056 179012900 /nfs/dbraw/zinc/01/29/00/179012900.db2.gz MNXINOFKNUXAGG-OAHLLOKOSA-N 1 0 261.296 2.051 10 0 CEAERO C[C@@](O)(C[NH3+])CCSc1ccc(C(F)(F)F)cn1 ZINC000085308537 179013134 /nfs/dbraw/zinc/01/31/34/179013134.db2.gz KEWTZVYPSKDRGL-JTQLQIEISA-N 1 0 280.315 2.292 10 0 CEAERO C[C@@H]([NH3+])CSCc1nc(-c2ccsc2)no1 ZINC000085313155 179014053 /nfs/dbraw/zinc/01/40/53/179014053.db2.gz SJQVQXKCKMTWAL-SSDOTTSWSA-N 1 0 255.368 2.379 10 0 CEAERO CC[C@H](NC(=O)[C@H]1CCC[C@@H]1[NH3+])c1ccccc1OC ZINC000085361854 179033426 /nfs/dbraw/zinc/03/34/26/179033426.db2.gz YEURCWCKGSBKBB-UBHSHLNASA-N 1 0 276.380 2.390 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)N[C@@H]1CCOc2ccccc21 ZINC000085363207 179034660 /nfs/dbraw/zinc/03/46/60/179034660.db2.gz ZQZXYKNKDDGHHF-KWCYVHTRSA-N 1 0 274.364 2.144 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1cccc2c[nH]nc21 ZINC000085364483 179035105 /nfs/dbraw/zinc/03/51/05/179035105.db2.gz KCUFZRCVDFRJGZ-QWRGUYRKSA-N 1 0 258.325 2.019 10 0 CEAERO CSc1ccc(CN(C)C(=O)[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000085366668 179037197 /nfs/dbraw/zinc/03/71/97/179037197.db2.gz GLNHTTKJONDIOW-KGLIPLIRSA-N 1 0 278.421 2.494 10 0 CEAERO CN(Cc1ccc(F)cc1F)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085367736 179037764 /nfs/dbraw/zinc/03/77/64/179037764.db2.gz GJGAODRHHPFYOM-JSGCOSHPSA-N 1 0 282.334 2.441 10 0 CEAERO COc1ccccc1CN(C(=O)[C@@H]1CCC[C@@H]1[NH3+])C1CC1 ZINC000085368814 179038806 /nfs/dbraw/zinc/03/88/06/179038806.db2.gz PPHHDHOWZDHKES-CABCVRRESA-N 1 0 288.391 2.314 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)N(Cc1cccc(O)c1)C1CC1 ZINC000085369299 179039422 /nfs/dbraw/zinc/03/94/22/179039422.db2.gz FEZWEMUCBCMRSB-LSDHHAIUSA-N 1 0 274.364 2.011 10 0 CEAERO Cc1nc2cc(NC(=O)[C@H]3CCC[C@@H]3[NH3+])ccc2o1 ZINC000085371292 179041374 /nfs/dbraw/zinc/04/13/74/179041374.db2.gz ZRMLGLDJNNQBKN-QWRGUYRKSA-N 1 0 259.309 2.202 10 0 CEAERO C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085372104 179041659 /nfs/dbraw/zinc/04/16/59/179041659.db2.gz DVZKCZCPHNAWGI-SNPRPXQTSA-N 1 0 260.381 2.251 10 0 CEAERO CCO[C@H]1C[C@H]([NH2+][C@@H](C)CN2CCCC2)C1(C)C ZINC000085397835 179049809 /nfs/dbraw/zinc/04/98/09/179049809.db2.gz OWKCHZROBPVBSW-IHRRRGAJSA-N 1 0 254.418 2.264 10 0 CEAERO COC(=O)c1c(C)c(C)sc1NC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085371680 179041756 /nfs/dbraw/zinc/04/17/56/179041756.db2.gz OEBDXUSMADPGBJ-VHSXEESVSA-N 1 0 296.392 2.217 10 0 CEAERO CC(C)Oc1ncccc1CNC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085372292 179042061 /nfs/dbraw/zinc/04/20/61/179042061.db2.gz QXKGBSRGKKWAQG-KBPBESRZSA-N 1 0 291.395 2.003 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)NCc1ccccc1Br ZINC000085372364 179042162 /nfs/dbraw/zinc/04/21/62/179042162.db2.gz NKFJJVHTCFHPTL-ZYHUDNBSSA-N 1 0 297.196 2.193 10 0 CEAERO COc1ccc(Cl)c(NC(=O)[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000085372948 179042315 /nfs/dbraw/zinc/04/23/15/179042315.db2.gz OHNCXRKUERSIMO-MWLCHTKSSA-N 1 0 268.744 2.415 10 0 CEAERO CCc1nc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])sc1C ZINC000085372486 179042470 /nfs/dbraw/zinc/04/24/70/179042470.db2.gz ZZQROFRCVWEDER-UWVGGRQHSA-N 1 0 267.398 2.470 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)N1CCC[C@@H]1C1CCCC1 ZINC000085373296 179042977 /nfs/dbraw/zinc/04/29/77/179042977.db2.gz LGXSIUUZSMVEKO-HZSPNIEDSA-N 1 0 250.386 2.295 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)Nc1cc(F)c(F)cc1F ZINC000085374304 179043171 /nfs/dbraw/zinc/04/31/71/179043171.db2.gz WJILBDFUAOTKMI-LDWIPMOCSA-N 1 0 258.243 2.170 10 0 CEAERO C[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085374694 179043348 /nfs/dbraw/zinc/04/33/48/179043348.db2.gz RGVDFXDKACYNHR-GLQYFDAESA-N 1 0 278.371 2.390 10 0 CEAERO C[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085374702 179043668 /nfs/dbraw/zinc/04/36/68/179043668.db2.gz NJNJPDIIEYDSBJ-HONMWMINSA-N 1 0 264.344 2.000 10 0 CEAERO Cc1ccccc1C[C@H](C)NC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085365850 179036493 /nfs/dbraw/zinc/03/64/93/179036493.db2.gz CAQVMGDOQWLSLZ-QEJZJMRPSA-N 1 0 260.381 2.170 10 0 CEAERO CC(C)CO[C@H]1C[C@H]([NH2+][C@@H](C)c2nncn2C)C1(C)C ZINC000085400450 179052073 /nfs/dbraw/zinc/05/20/73/179052073.db2.gz NGNNGBIORSAUBP-AVGNSLFASA-N 1 0 280.416 2.305 10 0 CEAERO COC(OC)[C@H](C)[NH2+][C@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000085402127 179052432 /nfs/dbraw/zinc/05/24/32/179052432.db2.gz GMAVPZODYWMRAN-RWMBFGLXSA-N 1 0 273.417 2.423 10 0 CEAERO C[NH2+][C@H](C)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C3(C)C)cc1 ZINC000085405214 179054628 /nfs/dbraw/zinc/05/46/28/179054628.db2.gz UIUYKKGZRCIQLG-WQAKAFBOSA-N 1 0 272.348 2.112 10 0 CEAERO Fc1cccc([C@H](C[NH2+]C2CC2)OC2COC2)c1 ZINC000098059240 185678696 /nfs/dbraw/zinc/67/86/96/185678696.db2.gz BCODLROYMAFAAX-AWEZNQCLSA-N 1 0 251.301 2.034 10 0 CEAERO CC1(C)CN(Cc2ccn(C3CCCC3)n2)CC[NH2+]1 ZINC000085435126 179062251 /nfs/dbraw/zinc/06/22/51/179062251.db2.gz XWVJBMOMCCIDAB-UHFFFAOYSA-N 1 0 262.401 2.182 10 0 CEAERO CC[C@@H](C)[C@H]1CN(CCOc2ccccc2)CC[NH2+]1 ZINC000085449675 179064310 /nfs/dbraw/zinc/06/43/10/179064310.db2.gz UTHRNTBBSUTRCN-GDBMZVCRSA-N 1 0 262.397 2.385 10 0 CEAERO Cc1ccc(-c2ccc(N3CCC[NH2+]CC3)nn2)cc1 ZINC000062203414 362715037 /nfs/dbraw/zinc/71/50/37/362715037.db2.gz LTMBQGZIJFISMM-UHFFFAOYSA-N 1 0 268.364 2.252 10 0 CEAERO CC(C)OCC[N@@H+]1C[C@@H](C)NCC12CCCCC2 ZINC000085454458 179068198 /nfs/dbraw/zinc/06/81/98/179068198.db2.gz OIMJYVFCMPGBOL-CQSZACIVSA-N 1 0 254.418 2.408 10 0 CEAERO CC(C)n1ccc(CN2CC[NH2+][C@](C)(C3CC3)C2)n1 ZINC000085449522 179064783 /nfs/dbraw/zinc/06/47/83/179064783.db2.gz KIGBWYZDCQTXEN-HNNXBMFYSA-N 1 0 262.401 2.038 10 0 CEAERO FC(F)(F)CCN1CC[NH2+]C[C@@H]1Cc1ccccc1 ZINC000085452671 179066197 /nfs/dbraw/zinc/06/61/97/179066197.db2.gz WJAWBMSGZJRVCH-ZDUSSCGKSA-N 1 0 272.314 2.455 10 0 CEAERO CCC[C@@H]1CN(Cc2ncccn2)[C@H](C(C)C)C[NH2+]1 ZINC000085455210 179067682 /nfs/dbraw/zinc/06/76/82/179067682.db2.gz DEHIMYJRKFWVTE-KGLIPLIRSA-N 1 0 262.401 2.075 10 0 CEAERO CC(C)COc1ccc(-c2noc(CC[NH3+])n2)cc1 ZINC000098130645 185691964 /nfs/dbraw/zinc/69/19/64/185691964.db2.gz CVXGYEUKRZNJPO-UHFFFAOYSA-N 1 0 261.325 2.273 10 0 CEAERO CC[C@@H]1CN(CCOCC(F)(F)F)[C@@](C)(CC)C[NH2+]1 ZINC000085474437 179077739 /nfs/dbraw/zinc/07/77/39/179077739.db2.gz KMEXNDNLHNCPOK-NEPJUHHUSA-N 1 0 282.350 2.418 10 0 CEAERO C[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1CCOCC(F)(F)F ZINC000085475251 179078339 /nfs/dbraw/zinc/07/83/39/179078339.db2.gz ILDJAKAKGVAGNX-WDEREUQCSA-N 1 0 282.350 2.274 10 0 CEAERO COc1cc(C)c(Cl)c(C)c1CC[NH2+][C@@H](C)CO ZINC000098132148 185693153 /nfs/dbraw/zinc/69/31/53/185693153.db2.gz GCGIBRRUVHKAFB-JTQLQIEISA-N 1 0 271.788 2.478 10 0 CEAERO [NH3+][C@@H](C[C@@H](O)C(=O)OCc1ccccc1)c1ccccc1 ZINC000085484795 179080237 /nfs/dbraw/zinc/08/02/37/179080237.db2.gz WHVXRUXLNLPXOI-JKSUJKDBSA-N 1 0 285.343 2.181 10 0 CEAERO CCn1cc(CN2C[C@@H](CC(C)C)[NH2+]C[C@@H]2C)cn1 ZINC000085487021 179080927 /nfs/dbraw/zinc/08/09/27/179080927.db2.gz ZBTKLODADDMIQW-DZGCQCFKSA-N 1 0 264.417 2.111 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](CC(C)C)CN1Cc1ncccn1 ZINC000085487281 179081308 /nfs/dbraw/zinc/08/13/08/179081308.db2.gz TWPYAWHQQOQTCN-KBPBESRZSA-N 1 0 262.401 2.075 10 0 CEAERO CC[C@@H](C)[C@H]1C[NH2+]C(C)(C)CN1Cc1cnn(C)c1 ZINC000085470372 179075106 /nfs/dbraw/zinc/07/51/06/179075106.db2.gz ICVIFIMAJGHODB-TZMCWYRMSA-N 1 0 264.417 2.019 10 0 CEAERO CCC[C@H]1CNC(C)(C)C[N@@H+]1CC1CCOCC1 ZINC000085469690 179075209 /nfs/dbraw/zinc/07/52/09/179075209.db2.gz TYLIFIDGLXVXJZ-AWEZNQCLSA-N 1 0 254.418 2.266 10 0 CEAERO CC1(C)CN([C@@H]2CCOC2)[C@H](c2ccccc2)C[NH2+]1 ZINC000085470928 179076497 /nfs/dbraw/zinc/07/64/97/179076497.db2.gz GBMRFNTUBQUDLZ-CABCVRRESA-N 1 0 260.381 2.200 10 0 CEAERO CC1(C)C[N@H+](C[C@@H]2CCCCO2)[C@H](C2CC2)CN1 ZINC000085470628 179076601 /nfs/dbraw/zinc/07/66/01/179076601.db2.gz YDLQKRMJMJVZQQ-KBPBESRZSA-N 1 0 252.402 2.018 10 0 CEAERO C[C@@H]1CN[C@H](c2ccccc2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085504880 179084954 /nfs/dbraw/zinc/08/49/54/179084954.db2.gz NSOUFXSXWUXIBW-YCPHGPKFSA-N 1 0 260.381 2.058 10 0 CEAERO CCOCCN1CC2(CCCCC2)[NH2+]C[C@@H]1C1CC1 ZINC000085503185 179084981 /nfs/dbraw/zinc/08/49/81/179084981.db2.gz IONCGRVWXQBUQV-OAHLLOKOSA-N 1 0 266.429 2.410 10 0 CEAERO CCC[C@H]1C[NH2+][C@H](C2CC2)CN1C[C@@H]1CCCO1 ZINC000085523454 179088596 /nfs/dbraw/zinc/08/85/96/179088596.db2.gz YVMFNXKQSVNPLF-KKUMJFAQSA-N 1 0 252.402 2.018 10 0 CEAERO CC[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1cccnc1 ZINC000085510968 179085336 /nfs/dbraw/zinc/08/53/36/179085336.db2.gz CRQAAOQEGJGJIF-HZPDHXFCSA-N 1 0 259.397 2.434 10 0 CEAERO CC1(C)C[NH2+][C@@H](c2ccccc2)CN1Cc1ncccn1 ZINC000085507514 179085439 /nfs/dbraw/zinc/08/54/39/179085439.db2.gz SPFWUGLTCWNOER-OAHLLOKOSA-N 1 0 282.391 2.402 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1ncccn1 ZINC000085511391 179085602 /nfs/dbraw/zinc/08/56/02/179085602.db2.gz RYKNOVWUQYIVDS-GDBMZVCRSA-N 1 0 274.412 2.219 10 0 CEAERO CCn1cc(CN2C[C@@](C)(C3CC3)[NH2+]CC2(C)C)cn1 ZINC000085514629 179086760 /nfs/dbraw/zinc/08/67/60/179086760.db2.gz ORXTZPJPNVDHGN-INIZCTEOSA-N 1 0 276.428 2.256 10 0 CEAERO CCC1(CC)C[N@H+](C[C@@H]2CCCO2)[C@@H](C2CC2)CN1 ZINC000085519133 179087318 /nfs/dbraw/zinc/08/73/18/179087318.db2.gz VWWXIPOZZHRLGD-LSDHHAIUSA-N 1 0 266.429 2.408 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](C2CC2)CN1CCc1ccsc1 ZINC000085521458 179088039 /nfs/dbraw/zinc/08/80/39/179088039.db2.gz PXDRTWFVKWTRJA-BXUZGUMPSA-N 1 0 250.411 2.363 10 0 CEAERO C[C@@]1(C2CC2)C[NH2+][C@@](C)(C2CC2)CN1Cc1ncccn1 ZINC000085516202 179088204 /nfs/dbraw/zinc/08/82/04/179088204.db2.gz MXSUNVRTPYBACR-SJORKVTESA-N 1 0 286.423 2.219 10 0 CEAERO Cc1oncc1C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128941309 365811278 /nfs/dbraw/zinc/81/12/78/365811278.db2.gz NEJIVJBCGNVIQQ-ZIAGYGMSSA-N 1 0 250.342 2.110 10 0 CEAERO C[C@@H]1CNC2(CCCCC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085498897 179083341 /nfs/dbraw/zinc/08/33/41/179083341.db2.gz HFMNYDHMAZGXIU-KGLIPLIRSA-N 1 0 252.402 2.020 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)c2cc(Cl)ccc2F)C1 ZINC000062969410 362737994 /nfs/dbraw/zinc/73/79/94/362737994.db2.gz HAIZDYWPUHKFGZ-JTQLQIEISA-N 1 0 270.735 2.255 10 0 CEAERO C[C@@H]1CN[C@@H](c2ccccc2)C[N@@H+]1CC1CCOCC1 ZINC000085504870 179084050 /nfs/dbraw/zinc/08/40/50/179084050.db2.gz LDAZBRDCWLDSNX-RHSMWYFYSA-N 1 0 274.408 2.448 10 0 CEAERO COCC[N@@H+]1CC2(CCCCC2)NC[C@H]1C(C)C ZINC000085502981 179084443 /nfs/dbraw/zinc/08/44/43/179084443.db2.gz QJXLFJUOZJTTLM-AWEZNQCLSA-N 1 0 254.418 2.266 10 0 CEAERO CCOCCN1C[C@@H](C2CC2)[NH2+]C[C@@H]1C(C)(C)C ZINC000085526598 179089817 /nfs/dbraw/zinc/08/98/17/179089817.db2.gz SICQZHAHCNPJSU-UONOGXRCSA-N 1 0 254.418 2.121 10 0 CEAERO CC(C)(C)[C@@H]1C[NH2+][C@H](C2CC2)CN1C[C@@H]1CCCO1 ZINC000085526815 179089935 /nfs/dbraw/zinc/08/99/35/179089935.db2.gz JYNSRVLXRWPJJW-KKUMJFAQSA-N 1 0 266.429 2.264 10 0 CEAERO CC[C@@H](C)[C@@H]1C[NH2+][C@H](C2CC2)CN1Cc1cnn(C)c1 ZINC000085525461 179089958 /nfs/dbraw/zinc/08/99/58/179089958.db2.gz VMFQQOWXZUAYRO-KCXAZCMYSA-N 1 0 276.428 2.019 10 0 CEAERO CCn1cc(CN2C[C@H](C3CC3)[NH2+]CC23CCCC3)cn1 ZINC000085529116 179090468 /nfs/dbraw/zinc/09/04/68/179090468.db2.gz YPRHYUKKPJXKIE-MRXNPFEDSA-N 1 0 288.439 2.400 10 0 CEAERO CC[C@]1(C)C[NH2+][C@@H](C2CC2)CN1Cc1ccncc1 ZINC000085528682 179090975 /nfs/dbraw/zinc/09/09/75/179090975.db2.gz JOFQRRXHMXAMFU-HZPDHXFCSA-N 1 0 259.397 2.434 10 0 CEAERO C[C@H]1CN[C@@H](C2CCCCC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085529755 179091475 /nfs/dbraw/zinc/09/14/75/179091475.db2.gz UDEBVRHWNCJQDB-OFQRWUPVSA-N 1 0 266.429 2.266 10 0 CEAERO C[C@@H]1CN[C@@H](C2CCCCC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085529754 179091888 /nfs/dbraw/zinc/09/18/88/179091888.db2.gz UDEBVRHWNCJQDB-IJEWVQPXSA-N 1 0 266.429 2.266 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](C2CCCCC2)CN1CCn1cccn1 ZINC000085529734 179091918 /nfs/dbraw/zinc/09/19/18/179091918.db2.gz ZJMBNFDUYBNOPP-GDBMZVCRSA-N 1 0 276.428 2.126 10 0 CEAERO [NH3+]Cc1cccc(SC[C@@H](O)C(F)(F)F)c1 ZINC000085536768 179092475 /nfs/dbraw/zinc/09/24/75/179092475.db2.gz UPAHJQNSXKARLI-SECBINFHSA-N 1 0 251.273 2.161 10 0 CEAERO Cc1ccc(F)c(OCC[C@](C)([NH2+]C(C)C)C(N)=O)c1 ZINC000085560343 179093690 /nfs/dbraw/zinc/09/36/90/179093690.db2.gz OEBNPLXYBSBJOE-HNNXBMFYSA-N 1 0 282.359 2.145 10 0 CEAERO CC[NH2+][C@@](CO)(COc1cc(C)ccc1F)C1CC1 ZINC000085565109 179094520 /nfs/dbraw/zinc/09/45/20/179094520.db2.gz BEWVURMVELWQAN-HNNXBMFYSA-N 1 0 267.344 2.264 10 0 CEAERO CCc1nc2c(n1-c1ccc(F)c(F)c1)CC[NH2+]C2 ZINC000085567798 179095442 /nfs/dbraw/zinc/09/54/42/179095442.db2.gz MLZHWLIEGQGENI-UHFFFAOYSA-N 1 0 263.291 2.359 10 0 CEAERO CCCc1nc2c(n1[C@H]1CCC[C@@H]1OC)CC[NH2+]C2 ZINC000085570837 179095857 /nfs/dbraw/zinc/09/58/57/179095857.db2.gz IGSOHBIKKDXZQA-KBPBESRZSA-N 1 0 263.385 2.221 10 0 CEAERO FC(F)(F)c1nc2c(n1CC1CCC1)CC[NH2+]C2 ZINC000085569747 179096582 /nfs/dbraw/zinc/09/65/82/179096582.db2.gz JGTQMRLOFMIJNK-UHFFFAOYSA-N 1 0 259.275 2.348 10 0 CEAERO CC(C)(C)c1nc2c(n1C[C@@H]1CCCCO1)CC[NH2+]C2 ZINC000085572428 179097097 /nfs/dbraw/zinc/09/70/97/179097097.db2.gz VBJFXFCICPNHAR-LBPRGKRZSA-N 1 0 277.412 2.395 10 0 CEAERO Cc1nc2c(n1-c1ccc(N3CCCC3)cc1)CC[NH2+]C2 ZINC000085572224 179097128 /nfs/dbraw/zinc/09/71/28/179097128.db2.gz QSMUIDZALVIIOD-UHFFFAOYSA-N 1 0 282.391 2.427 10 0 CEAERO CCC[C@H](COC)n1c(CC)nc2c1CC[NH2+]C2 ZINC000085574689 179099177 /nfs/dbraw/zinc/09/91/77/179099177.db2.gz JYBGQFNKBZZOGM-LLVKDONJSA-N 1 0 251.374 2.079 10 0 CEAERO c1ccc(-c2nc3c(n2C[C@@H]2CCCO2)CC[NH2+]C3)cc1 ZINC000085575351 179099620 /nfs/dbraw/zinc/09/96/20/179099620.db2.gz AAWWYHIEASFIMQ-AWEZNQCLSA-N 1 0 283.375 2.375 10 0 CEAERO COC(=O)CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000599397970 346513921 /nfs/dbraw/zinc/51/39/21/346513921.db2.gz WJDSTWFMRUAXAC-ZNMIVQPWSA-N 1 0 283.412 2.345 10 0 CEAERO C[C@@H]1CC[NH2+][C@H](C(C)(C)C)CN1Cc1ncccn1 ZINC000085624240 179107350 /nfs/dbraw/zinc/10/73/50/179107350.db2.gz XSGJQDUVSOYTFV-OLZOCXBDSA-N 1 0 262.401 2.075 10 0 CEAERO COC[C@@H](C)Cn1c2c(nc1C1CCCC1)C[NH2+]CC2 ZINC000085607117 179101936 /nfs/dbraw/zinc/10/19/36/179101936.db2.gz DBMQFHMKODPVHS-LBPRGKRZSA-N 1 0 277.412 2.469 10 0 CEAERO CC(C)C[C@H]1C[N@H+](CC2CCOCC2)CCCN1 ZINC000085611429 179102150 /nfs/dbraw/zinc/10/21/50/179102150.db2.gz RRHCPSDGPORDKO-HNNXBMFYSA-N 1 0 254.418 2.123 10 0 CEAERO CCn1cc(CN2CCC[NH2+][C@@H](C(C)(C)C)C2)cn1 ZINC000085613889 179102902 /nfs/dbraw/zinc/10/29/02/179102902.db2.gz FNMKUJRZKSLDTE-CQSZACIVSA-N 1 0 264.417 2.113 10 0 CEAERO C[C@H]1CCN[C@@H](c2ccccc2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085621561 179105538 /nfs/dbraw/zinc/10/55/38/179105538.db2.gz IJMUQSGAVUVSRX-YQQAZPJKSA-N 1 0 274.408 2.448 10 0 CEAERO CC(C)[C@H](C[NH2+][C@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N(C)C ZINC000085671498 179110940 /nfs/dbraw/zinc/11/09/40/179110940.db2.gz MUCHKUVUHSVGLK-AJNGGQMLSA-N 1 0 268.445 2.366 10 0 CEAERO CC(C)[C@H](CN(C)C)[NH2+][C@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085675499 179112331 /nfs/dbraw/zinc/11/23/31/179112331.db2.gz KJURBNAPIVFZMK-AJNGGQMLSA-N 1 0 268.445 2.366 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]CCc2nccn2C)C12CCCC2 ZINC000085680384 179113261 /nfs/dbraw/zinc/11/32/61/179113261.db2.gz KHGXWYPJDMTMNE-UONOGXRCSA-N 1 0 277.412 2.290 10 0 CEAERO C[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CCCCC1 ZINC000085636204 179109164 /nfs/dbraw/zinc/10/91/64/179109164.db2.gz DCDYJQMQCFEGGE-BARDWOONSA-N 1 0 266.429 2.264 10 0 CEAERO Cc1cc([C@H]2C[C@]2(C[NH3+])CO)ccc1Br ZINC000085708584 179122914 /nfs/dbraw/zinc/12/29/14/179122914.db2.gz ZNKVEFFPHPXZFU-PWSUYJOCSA-N 1 0 270.170 2.182 10 0 CEAERO C[NH+](C)CCCOc1nc(Cl)ncc1Br ZINC000085786543 179171235 /nfs/dbraw/zinc/17/12/35/179171235.db2.gz RZBOKGVKUTULAG-UHFFFAOYSA-N 1 0 294.580 2.223 10 0 CEAERO [NH3+][C@@]1(C(=O)Nc2cc(Cl)ccc2Cl)CCOC1 ZINC000085867069 179192040 /nfs/dbraw/zinc/19/20/40/179192040.db2.gz ABUHASCIARWUTK-NSHDSACASA-N 1 0 275.135 2.050 10 0 CEAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(Br)cn1 ZINC000085978943 179208596 /nfs/dbraw/zinc/20/85/96/179208596.db2.gz BLHSRIJMWXXSDG-GWCFXTLKSA-N 1 0 299.212 2.485 10 0 CEAERO Cc1cc2c(N3CCC([C@@H]4CCC[NH2+]4)CC3)nccn2n1 ZINC000129790411 136710925 /nfs/dbraw/zinc/71/09/25/136710925.db2.gz UEILWVCNOVWGDZ-AWEZNQCLSA-N 1 0 285.395 2.006 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1CNC(=O)c1cc(F)ccc1F ZINC000085964652 179205376 /nfs/dbraw/zinc/20/53/76/179205376.db2.gz JJASQQXLBWEUMB-ZANVPECISA-N 1 0 268.307 2.212 10 0 CEAERO COc1cc(C(=O)NC[C@@H]2CCCC[C@@H]2[NH3+])ccc1C ZINC000085965083 179205378 /nfs/dbraw/zinc/20/53/78/179205378.db2.gz VJMNLYGMVSEMTB-KBPBESRZSA-N 1 0 276.380 2.251 10 0 CEAERO Cc1cccc(CC(=O)NC[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000085965915 179205416 /nfs/dbraw/zinc/20/54/16/179205416.db2.gz ZINFETPEERBRPD-GJZGRUSLSA-N 1 0 260.381 2.171 10 0 CEAERO Cc1ccc(F)c(C(=O)NC[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000085964075 179205677 /nfs/dbraw/zinc/20/56/77/179205677.db2.gz QFWAYCLFZOBZAP-BXUZGUMPSA-N 1 0 264.344 2.381 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1CNC(=O)c1cccc(F)c1F ZINC000085966864 179205986 /nfs/dbraw/zinc/20/59/86/179205986.db2.gz XTSCAGPXGYZXPG-SKDRFNHKSA-N 1 0 268.307 2.212 10 0 CEAERO CCc1ccc(C(=O)NC[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000085967442 179206026 /nfs/dbraw/zinc/20/60/26/179206026.db2.gz HPVNTAVLCMLXKQ-GJZGRUSLSA-N 1 0 260.381 2.496 10 0 CEAERO CC(C)c1nn(C)cc1C[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000085973482 179207372 /nfs/dbraw/zinc/20/73/72/179207372.db2.gz PFVRYLMFGRMVCC-GXTWGEPZSA-N 1 0 265.401 2.184 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1CNc1nccc(C(F)(F)F)n1 ZINC000085975042 179208031 /nfs/dbraw/zinc/20/80/31/179208031.db2.gz AWXJZMLBTVAUAW-DTWKUNHWSA-N 1 0 274.290 2.425 10 0 CEAERO C[NH2+][C@@H](CCO)COc1ccccc1C(F)(F)F ZINC000085923885 179201596 /nfs/dbraw/zinc/20/15/96/179201596.db2.gz KQKZIHBLGYJYNC-VIFPVBQESA-N 1 0 263.259 2.055 10 0 CEAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000085978301 179208658 /nfs/dbraw/zinc/20/86/58/179208658.db2.gz BHOYLZLBLRVKGH-HUUCEWRRSA-N 1 0 291.391 2.489 10 0 CEAERO O[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000085978298 179208739 /nfs/dbraw/zinc/20/87/39/179208739.db2.gz BHOYLZLBLRVKGH-LSDHHAIUSA-N 1 0 291.391 2.489 10 0 CEAERO COC(=O)c1ccccc1C[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000085977771 179208824 /nfs/dbraw/zinc/20/88/24/179208824.db2.gz XLPXFQIIALMVGH-HIFRSBDPSA-N 1 0 277.364 2.114 10 0 CEAERO [NH3+][C@H](CCC(=O)NC[C@H]1CCCC[C@@H]1O)c1ccccc1 ZINC000085987048 179212201 /nfs/dbraw/zinc/21/22/01/179212201.db2.gz BIXRALDNYXSIER-OAGGEKHMSA-N 1 0 290.407 2.134 10 0 CEAERO CCCCOCC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000128495654 187374136 /nfs/dbraw/zinc/37/41/36/187374136.db2.gz AROCIGXIOSOOMV-CABCVRRESA-N 1 0 255.402 2.430 10 0 CEAERO C[C@@H]1CC[C@H](NC(=O)[C@@H](C[NH3+])c2ccccc2)[C@@H]1C ZINC000086073938 179224844 /nfs/dbraw/zinc/22/48/44/179224844.db2.gz VHEUFQAMLORGDK-UXOAXIEHSA-N 1 0 260.381 2.280 10 0 CEAERO C[C@H]1[C@H]([NH2+][C@@H]2CC(=O)N(c3ccccc3)C2=O)CC[C@@H]1C ZINC000086075204 179225113 /nfs/dbraw/zinc/22/51/13/179225113.db2.gz QRPVHTGDZOIJJF-CTHBEMJXSA-N 1 0 286.375 2.343 10 0 CEAERO C[C@H]1[C@H](NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC[C@@H]1C ZINC000086076345 179226072 /nfs/dbraw/zinc/22/60/72/179226072.db2.gz BPGHXTITUGMJOX-UAXWRAGISA-N 1 0 272.392 2.252 10 0 CEAERO Nc1cc[nH+]cc1CC(=O)c1ccc(Cl)cc1N ZINC000086111954 179233495 /nfs/dbraw/zinc/23/34/95/179233495.db2.gz QWIXFPRCIACFKF-UHFFFAOYSA-N 1 0 261.712 2.325 10 0 CEAERO Cc1csc(SCc2cccc(NN)[nH+]2)n1 ZINC000086117998 179234576 /nfs/dbraw/zinc/23/45/76/179234576.db2.gz XTPVRVGYAFIHRT-UHFFFAOYSA-N 1 0 252.368 2.424 10 0 CEAERO CCn1cc(N2CC[NH2+][C@H](C3CCCCC3)C2)cn1 ZINC000086127938 179235698 /nfs/dbraw/zinc/23/56/98/179235698.db2.gz UYAIYSTVINMHFA-HNNXBMFYSA-N 1 0 262.401 2.262 10 0 CEAERO CC[C@@]1(C)CN(CCc2ccc(OC)c(OC)c2)CC[NH2+]1 ZINC000086123832 179236131 /nfs/dbraw/zinc/23/61/31/179236131.db2.gz UOSOWDLOCSRRGQ-KRWDZBQOSA-N 1 0 292.423 2.320 10 0 CEAERO c1cncc(CCN2CC[NH2+][C@H](C3CCCCC3)C2)c1 ZINC000086141939 179236298 /nfs/dbraw/zinc/23/62/98/179236298.db2.gz KEQGEQPGWUBVHY-KRWDZBQOSA-N 1 0 273.424 2.478 10 0 CEAERO c1ccc([C@H]2C[N@H+](CC[C@@H]3CCCO3)CCN2)cc1 ZINC000086145621 179237527 /nfs/dbraw/zinc/23/75/27/179237527.db2.gz QKHPYFAHMXFQSJ-JKSUJKDBSA-N 1 0 260.381 2.202 10 0 CEAERO Cc1cc(CN2CC[NH2+][C@H](C3CCCCC3)C2)on1 ZINC000086146386 179238693 /nfs/dbraw/zinc/23/86/93/179238693.db2.gz YQSHCVKFWROMFC-HNNXBMFYSA-N 1 0 263.385 2.337 10 0 CEAERO CC[C@@H]1CC[C@@H](NC(=O)C2(C)CC[NH2+]CC2)[C@@H]1C ZINC000086094202 179228755 /nfs/dbraw/zinc/22/87/55/179228755.db2.gz UJQVKGYBLHWOHX-JHJVBQTASA-N 1 0 252.402 2.317 10 0 CEAERO c1nc(CN2CC[NH2+]C3(CCCCC3)C2)cs1 ZINC000086149433 179240278 /nfs/dbraw/zinc/24/02/78/179240278.db2.gz JFOBEIGCWJZHTQ-UHFFFAOYSA-N 1 0 251.399 2.251 10 0 CEAERO CC(C)C[C@H]1CN(CCOC2CCCC2)CC[NH2+]1 ZINC000086149529 179240679 /nfs/dbraw/zinc/24/06/79/179240679.db2.gz VVPREOFYXHGQCI-AWEZNQCLSA-N 1 0 254.418 2.266 10 0 CEAERO COc1ccc(C[N@H+](C)C[C@H](O)COC(C)(C)C)cc1O ZINC000086169252 179243311 /nfs/dbraw/zinc/24/33/11/179243311.db2.gz JPOFXJHSHBJYGO-ZDUSSCGKSA-N 1 0 297.395 2.009 10 0 CEAERO C[C@H]([C@H]1CCCO1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000086177083 179246801 /nfs/dbraw/zinc/24/68/01/179246801.db2.gz BEJJZLKQJSHGBW-FVQBIDKESA-N 1 0 260.381 2.200 10 0 CEAERO Brc1ccc(-c2noc(C3C[NH2+]C3)n2)s1 ZINC000086194464 179248308 /nfs/dbraw/zinc/24/83/08/179248308.db2.gz LQHYLCCTONQTDA-UHFFFAOYSA-N 1 0 286.154 2.247 10 0 CEAERO CCn1cc(N2C[C@H](CC(C)C)[NH2+]C[C@@H]2C)cn1 ZINC000086218548 179249540 /nfs/dbraw/zinc/24/95/40/179249540.db2.gz QEPPFFJRPVTAEN-STQMWFEESA-N 1 0 250.390 2.116 10 0 CEAERO C[C@H]1CN[C@@](C)(c2ccccc2)C[N@@H+]1C1CCOCC1 ZINC000086218833 179250370 /nfs/dbraw/zinc/25/03/70/179250370.db2.gz NEHMGUXCLOGDNX-WMLDXEAASA-N 1 0 274.408 2.375 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C2CCCCC2)CN1C[C@@H]1COCCO1 ZINC000086223622 179252210 /nfs/dbraw/zinc/25/22/10/179252210.db2.gz IJIGBPOKYUKAFF-ZACQAIPSSA-N 1 0 296.455 2.035 10 0 CEAERO C[C@H]1C[NH2+]C2(CCCC2)CN1CCc1cccnc1 ZINC000086223253 179252263 /nfs/dbraw/zinc/25/22/63/179252263.db2.gz NCVYUAHGZWNATD-AWEZNQCLSA-N 1 0 259.397 2.231 10 0 CEAERO CC(C)[C@@H]1C[NH2+]C(C)(C)CN1CCc1ccncc1 ZINC000086223320 179252519 /nfs/dbraw/zinc/25/25/19/179252519.db2.gz KHOPFESZUMAPAW-HNNXBMFYSA-N 1 0 261.413 2.333 10 0 CEAERO Cc1csc(CN2C[C@@](C)(C3CC3)[NH2+]C[C@@H]2C)n1 ZINC000086227024 179253020 /nfs/dbraw/zinc/25/30/20/179253020.db2.gz VAMLMJPLBDMJPG-FZMZJTMJSA-N 1 0 265.426 2.414 10 0 CEAERO CC[C@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1cc(C)no1 ZINC000086260360 179259014 /nfs/dbraw/zinc/25/90/14/179259014.db2.gz FPPZQUGBBJDGSV-DZGCQCFKSA-N 1 0 263.385 2.336 10 0 CEAERO Cc1cc(CN2CC(C)(C)[NH2+]C[C@H]2C(C)C)no1 ZINC000086259804 179259099 /nfs/dbraw/zinc/25/90/99/179259099.db2.gz UJEOJNSIDVJCTL-ZDUSSCGKSA-N 1 0 251.374 2.191 10 0 CEAERO CCOC[C@@H](C)N1CC2(CCCCC2)[NH2+]C[C@@H]1C ZINC000086259709 179259144 /nfs/dbraw/zinc/25/91/44/179259144.db2.gz JNDLPKYZPCKYEH-UONOGXRCSA-N 1 0 254.418 2.408 10 0 CEAERO COC[C@H](C)C[N@@H+]1C[C@@](C)(c2ccccc2)NC[C@@H]1C ZINC000086260994 179260051 /nfs/dbraw/zinc/26/00/51/179260051.db2.gz OSDQBYJCOOZHDG-VYDXJSESSA-N 1 0 276.424 2.478 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](CC(C)C)CN1Cc1cnc(C)cn1 ZINC000086263118 179260621 /nfs/dbraw/zinc/26/06/21/179260621.db2.gz UEYYDZMTZSHXRA-HOCLYGCPSA-N 1 0 276.428 2.384 10 0 CEAERO CC[C@@H]1CNC2(CCCC2)C[N@@H+]1C[C@@H](C)COC ZINC000086260983 179260655 /nfs/dbraw/zinc/26/06/55/179260655.db2.gz JHNMBRXMGZFNSD-ZIAGYGMSSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C2CC2)CN1CCc1nc(C)cs1 ZINC000086264224 179260878 /nfs/dbraw/zinc/26/08/78/179260878.db2.gz WTPYSMSINPJQSD-UONOGXRCSA-N 1 0 279.453 2.456 10 0 CEAERO Cc1ncsc1CN1C[C@@](C)(C2CC2)[NH2+]C[C@@H]1C ZINC000086264609 179260963 /nfs/dbraw/zinc/26/09/63/179260963.db2.gz CXGXMNYCISOQQA-HZMBPMFUSA-N 1 0 265.426 2.414 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C2CC2)CN1Cc1ccnc(OC)c1 ZINC000086263840 179261009 /nfs/dbraw/zinc/26/10/09/179261009.db2.gz VAZURTKBLXKNAF-GJZGRUSLSA-N 1 0 275.396 2.053 10 0 CEAERO C[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1CCc1nccs1 ZINC000086264289 179261102 /nfs/dbraw/zinc/26/11/02/179261102.db2.gz ZADRHSMQXGSXAR-BXUZGUMPSA-N 1 0 265.426 2.148 10 0 CEAERO CC[C@@H]1CN(Cc2scnc2C)[C@@H](CC)C[NH2+]1 ZINC000086264660 179261151 /nfs/dbraw/zinc/26/11/51/179261151.db2.gz DGOAUXBTBXKMFY-NEPJUHHUSA-N 1 0 253.415 2.414 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C2CC2)CN1Cc1scnc1C ZINC000086264632 179261160 /nfs/dbraw/zinc/26/11/60/179261160.db2.gz RIRUMNNUSGQVIZ-QWHCGFSZSA-N 1 0 265.426 2.414 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C2CC2)CN1CCc1cscn1 ZINC000086265567 179262391 /nfs/dbraw/zinc/26/23/91/179262391.db2.gz PLUAAPWPFIDZQM-KGLIPLIRSA-N 1 0 265.426 2.148 10 0 CEAERO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccccc1Br ZINC000086270605 179262531 /nfs/dbraw/zinc/26/25/31/179262531.db2.gz MELXDHWYDMHLHJ-DTWKUNHWSA-N 1 0 283.169 2.386 10 0 CEAERO CC[C@@H](COC)[N@@H+]1CC2(CCCCC2)NC[C@@H]1C ZINC000086267463 179262552 /nfs/dbraw/zinc/26/25/52/179262552.db2.gz WHMNQYXBIXLCLA-KBPBESRZSA-N 1 0 254.418 2.408 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)CO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000261683153 290820091 /nfs/dbraw/zinc/82/00/91/290820091.db2.gz HVEUHARJCDVANN-GBJTYRQASA-N 1 0 284.444 2.188 10 0 CEAERO CC[C@@]1(C)CN(Cc2csc(C)n2)CCC[NH2+]1 ZINC000086290002 179264991 /nfs/dbraw/zinc/26/49/91/179264991.db2.gz SVQIGNNXMGJRMK-ZDUSSCGKSA-N 1 0 253.415 2.416 10 0 CEAERO CCN(c1nc(Br)cs1)[C@H]1CC[NH2+]C1 ZINC000086290791 179265657 /nfs/dbraw/zinc/26/56/57/179265657.db2.gz MJPDGLDAIVGBQS-ZETCQYMHSA-N 1 0 276.203 2.094 10 0 CEAERO CC[C@H](C)[C@H]1CN(Cc2cc(C)on2)CCC[NH2+]1 ZINC000086292092 179266509 /nfs/dbraw/zinc/26/65/09/179266509.db2.gz LWOGQOPZCQINLF-SMDDNHRTSA-N 1 0 251.374 2.193 10 0 CEAERO COc1cc(CN2CCC[NH2+][C@@](C)(C3CC3)C2)ccn1 ZINC000086296352 179267617 /nfs/dbraw/zinc/26/76/17/179267617.db2.gz BIANMSPNAJYKKV-MRXNPFEDSA-N 1 0 275.396 2.054 10 0 CEAERO C[C@H](NC(=O)c1ccncc1F)c1ccc(C[NH3+])cc1 ZINC000086315833 179268547 /nfs/dbraw/zinc/26/85/47/179268547.db2.gz YYFZPYNPXHYLGV-JTQLQIEISA-N 1 0 273.311 2.170 10 0 CEAERO [NH3+]C[C@@H](c1cc(Cl)cs1)N1CCSCC1 ZINC000086333189 179273182 /nfs/dbraw/zinc/27/31/82/179273182.db2.gz DEFAGRYLROEYPI-VIFPVBQESA-N 1 0 262.831 2.450 10 0 CEAERO CCO[C@H]1CCCN(c2nc3c(s2)CCC[C@@H]3[NH3+])C1 ZINC000086443928 179293555 /nfs/dbraw/zinc/29/35/55/179293555.db2.gz GTHKWYHSXCDMIR-QWRGUYRKSA-N 1 0 281.425 2.485 10 0 CEAERO [NH3+]Cc1c[nH]nc1-c1ccc(Br)cc1 ZINC000086442601 179293725 /nfs/dbraw/zinc/29/37/25/179293725.db2.gz DGGWVUVWJDMHSA-UHFFFAOYSA-N 1 0 252.115 2.298 10 0 CEAERO CN(C[C@@H]1CCCOC1)c1nc2c(s1)CCC[C@@H]2[NH3+] ZINC000086444208 179294616 /nfs/dbraw/zinc/29/46/16/179294616.db2.gz ZBDXQCQCXHAWQI-QWRGUYRKSA-N 1 0 281.425 2.342 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)c1cccc(C)c1O ZINC000086445987 179294747 /nfs/dbraw/zinc/29/47/47/179294747.db2.gz PQLAMFVHDIAWFR-QWHCGFSZSA-N 1 0 276.380 2.303 10 0 CEAERO CC[C@@H]1CN(C(=O)c2cccn2C2CC2)[C@@H](CC)C[NH2+]1 ZINC000086448004 179295577 /nfs/dbraw/zinc/29/55/77/179295577.db2.gz OYIONLMISIKOSZ-OLZOCXBDSA-N 1 0 275.396 2.426 10 0 CEAERO NC1=[NH+]C[C@@H](c2ccc(Br)s2)N1C1CC1 ZINC000086473063 179300277 /nfs/dbraw/zinc/30/02/77/179300277.db2.gz RHOPTLDROKVHLE-ZETCQYMHSA-N 1 0 286.198 2.344 10 0 CEAERO c1ccc2c(c1)C[C@@H]2c1noc([C@@H]2CCC[NH2+]C2)n1 ZINC000086486490 179301726 /nfs/dbraw/zinc/30/17/26/179301726.db2.gz SOHBSPFQXDVDEU-YPMHNXCESA-N 1 0 255.321 2.225 10 0 CEAERO CC1(c2nc([C@H]3Cc4ccccc43)no2)CC[NH2+]CC1 ZINC000086486345 179301853 /nfs/dbraw/zinc/30/18/53/179301853.db2.gz GKOYSGAOXMIQAF-ZDUSSCGKSA-N 1 0 269.348 2.399 10 0 CEAERO c1ccc2c(c1)C[C@H]2c1noc(C[C@H]2CCC[NH2+]2)n1 ZINC000086486283 179301935 /nfs/dbraw/zinc/30/19/35/179301935.db2.gz MZSHPSUYLGIZON-DGCLKSJQSA-N 1 0 255.321 2.052 10 0 CEAERO CC(C)[C@@H]([NH3+])Cc1nc([C@H]2Cc3ccccc32)no1 ZINC000086492148 179302298 /nfs/dbraw/zinc/30/22/98/179302298.db2.gz APEYUZLLDNIKCJ-STQMWFEESA-N 1 0 257.337 2.283 10 0 CEAERO C[NH2+][C@@H](Cc1ccnc(N)c1)[C@H]1Cc2ccccc21 ZINC000086488855 179302305 /nfs/dbraw/zinc/30/23/05/179302305.db2.gz NLRXLFQZRVKHAM-GJZGRUSLSA-N 1 0 253.349 2.134 10 0 CEAERO Cc1cc(C[C@@H](C)[NH3+])nc([C@@H]2Cc3ccccc32)n1 ZINC000086490805 179302596 /nfs/dbraw/zinc/30/25/96/179302596.db2.gz URXLDBNHXDXDMC-MEBBXXQBSA-N 1 0 253.349 2.363 10 0 CEAERO CCN1C(=[NH2+])NC[C@]1(C)c1ccc(Br)cc1 ZINC000086459509 179296248 /nfs/dbraw/zinc/29/62/48/179296248.db2.gz MPCQCARUDWXZAE-GFCCVEGCSA-N 1 0 282.185 2.315 10 0 CEAERO COC(OC)[C@@H]([NH3+])Cc1cc(Cl)ccc1Cl ZINC000086451794 179296466 /nfs/dbraw/zinc/29/64/66/179296466.db2.gz INUWDQWMHRXENX-JTQLQIEISA-N 1 0 264.152 2.482 10 0 CEAERO CC[C@H]1CN(Cc2cc(C)c(C(=O)OC)o2)[C@@H](CC)C[NH2+]1 ZINC000086463813 179296504 /nfs/dbraw/zinc/29/65/04/179296504.db2.gz VAAJNAZFUFEJGX-STQMWFEESA-N 1 0 294.395 2.337 10 0 CEAERO CCN1C(=[NH2+])NC[C@H]1c1ccc(Br)c(C)c1 ZINC000086459479 179296533 /nfs/dbraw/zinc/29/65/33/179296533.db2.gz RMNCHRNICOUXBZ-NSHDSACASA-N 1 0 282.185 2.449 10 0 CEAERO CCN1C(=[NH2+])NC[C@H]1c1ccccc1Br ZINC000086459422 179296625 /nfs/dbraw/zinc/29/66/25/179296625.db2.gz SAFHWSNNOHCNDX-JTQLQIEISA-N 1 0 268.158 2.140 10 0 CEAERO COC(OC)[C@@H]([NH3+])Cc1ccc(Br)cc1F ZINC000086451659 179296649 /nfs/dbraw/zinc/29/66/49/179296649.db2.gz QIONOEYPQXSSIV-JTQLQIEISA-N 1 0 292.148 2.077 10 0 CEAERO C[NH2+][C@@H](Cc1ccc(Br)s1)C(OC)OC ZINC000086452214 179296669 /nfs/dbraw/zinc/29/66/69/179296669.db2.gz YIDMVOCSHMBRPM-QMMMGPOBSA-N 1 0 294.214 2.260 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1ccccc1OC(F)F ZINC000086467276 179297354 /nfs/dbraw/zinc/29/73/54/179297354.db2.gz LNZOQZQHMJEBJX-VHSXEESVSA-N 1 0 284.306 2.110 10 0 CEAERO C[C@H]1CN(Cc2ccc(O)c(Cl)c2)[C@@H](C)C[NH2+]1 ZINC000086466765 179297367 /nfs/dbraw/zinc/29/73/67/179297367.db2.gz XOUAWBKSVUTLRW-UWVGGRQHSA-N 1 0 254.761 2.228 10 0 CEAERO [NH3+]C1CCN(c2cscc2Br)CC1 ZINC000086556329 179307645 /nfs/dbraw/zinc/30/76/45/179307645.db2.gz VXTUFQSIVQIGCD-UHFFFAOYSA-N 1 0 261.188 2.438 10 0 CEAERO CCS(=O)(=O)CC[C@H]([NH3+])Cc1ccc(Cl)cc1 ZINC000086567586 179307663 /nfs/dbraw/zinc/30/76/63/179307663.db2.gz IMNIINRFFBLQLY-LBPRGKRZSA-N 1 0 275.801 2.035 10 0 CEAERO [NH3+]C1([C@@H]2CS(=O)(=O)c3ccccc32)CCCCC1 ZINC000086566687 179307821 /nfs/dbraw/zinc/30/78/21/179307821.db2.gz YASRFGZEMAHNRX-GFCCVEGCSA-N 1 0 265.378 2.219 10 0 CEAERO CCS(=O)(=O)CC[C@@H]([NH3+])Cc1cccc(Cl)c1 ZINC000086567820 179308036 /nfs/dbraw/zinc/30/80/36/179308036.db2.gz HQGVIRUUPYCCEF-GFCCVEGCSA-N 1 0 275.801 2.035 10 0 CEAERO COc1ccc([C@H]2[C@H](C[NH3+])OCCN2C2CC2)cc1Cl ZINC000086584998 179309479 /nfs/dbraw/zinc/30/94/79/179309479.db2.gz VYWCGGGKRLSYDZ-GJZGRUSLSA-N 1 0 296.798 2.212 10 0 CEAERO C[C@@H]([NH3+])Cc1nc2cc(F)c(Br)cc2[nH]1 ZINC000086598513 179311001 /nfs/dbraw/zinc/31/10/01/179311001.db2.gz AYMWDWPFLHUHHR-RXMQYKEDSA-N 1 0 272.121 2.354 10 0 CEAERO COC[C@@H]([NH2+][C@H]1CCS(=O)(=O)c2ccccc21)C(C)C ZINC000086696940 179320564 /nfs/dbraw/zinc/32/05/64/179320564.db2.gz RGJMENLUVMSLHO-UONOGXRCSA-N 1 0 297.420 2.166 10 0 CEAERO C[NH2+]Cc1c(C)nn(C)c1Sc1nc(C)c(C)c(C)n1 ZINC000086645764 179316725 /nfs/dbraw/zinc/31/67/25/179316725.db2.gz HQTUOBPMJMHAHI-UHFFFAOYSA-N 1 0 291.424 2.314 10 0 CEAERO O[C@H](c1ccc2c(c1)CCO2)[C@H]1[NH2+]Cc2ccccc21 ZINC000086668059 179317302 /nfs/dbraw/zinc/31/73/02/179317302.db2.gz COVMEGVBTMJKHH-DLBZAZTESA-N 1 0 267.328 2.499 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1S(C)(=O)=O)c1cccs1 ZINC000086671755 179317622 /nfs/dbraw/zinc/31/76/22/179317622.db2.gz ZFUBYPUCXMRKFD-FOGDFJRCSA-N 1 0 273.423 2.364 10 0 CEAERO CS(=O)(=O)[C@@H]1CCC[C@H]1[NH2+]CCSc1ccccc1 ZINC000086675297 179318408 /nfs/dbraw/zinc/31/84/08/179318408.db2.gz GNJYLXZTNVAQLM-ZIAGYGMSSA-N 1 0 299.461 2.334 10 0 CEAERO CCc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1S(C)(=O)=O ZINC000086676223 179319522 /nfs/dbraw/zinc/31/95/22/179319522.db2.gz NTJNAAHCNUFIOT-CABCVRRESA-N 1 0 281.421 2.304 10 0 CEAERO Cc1nc(CN(C)[C@@]2(C[NH3+])CCC[C@@H]2C)cs1 ZINC000086676972 179319586 /nfs/dbraw/zinc/31/95/86/179319586.db2.gz ADCUTRDOMZYUCK-GXFFZTMASA-N 1 0 253.415 2.401 10 0 CEAERO CCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(OC)cc2OC)C1 ZINC000336897081 365940534 /nfs/dbraw/zinc/94/05/34/365940534.db2.gz OQTFJDOQTWJATB-QWHCGFSZSA-N 1 0 278.396 2.449 10 0 CEAERO COCC[C@H]([NH3+])Cc1cc(F)cc(Br)c1 ZINC000086696158 179320461 /nfs/dbraw/zinc/32/04/61/179320461.db2.gz UYPWJCSSHUZBKI-NSHDSACASA-N 1 0 276.149 2.495 10 0 CEAERO Cn1nccc1C1CC[NH+](Cc2ccncc2)CC1 ZINC000130325072 365944655 /nfs/dbraw/zinc/94/46/55/365944655.db2.gz RJKHGAOBCREGPU-UHFFFAOYSA-N 1 0 256.353 2.195 10 0 CEAERO CCn1cc(CO[C@]2(C[NH3+])CCC[C@H](C)C2)cn1 ZINC000086712827 179322626 /nfs/dbraw/zinc/32/26/26/179322626.db2.gz ZHSSAHUZLXASRH-GXTWGEPZSA-N 1 0 251.374 2.327 10 0 CEAERO CCC1CCC(C[NH3+])(OCCn2cccn2)CC1 ZINC000086713214 179322795 /nfs/dbraw/zinc/32/27/95/179322795.db2.gz QHQUWOLVDHRLEQ-UHFFFAOYSA-N 1 0 251.374 2.197 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000128704113 187385313 /nfs/dbraw/zinc/38/53/13/187385313.db2.gz IZFPFTGPDLWUJC-BAESOJJISA-N 1 0 294.345 2.454 10 0 CEAERO Cn1cnnc1-c1ccc(N[C@@H]2CCC[N@H+](C)CC2)cc1 ZINC000086817803 179346023 /nfs/dbraw/zinc/34/60/23/179346023.db2.gz VZRQMXMFFSTWNU-CQSZACIVSA-N 1 0 285.395 2.378 10 0 CEAERO COC(=O)[C@]1(Nc2ccccc2OC)CCC[N@H+](C)CC1 ZINC000086833306 179349966 /nfs/dbraw/zinc/34/99/66/179349966.db2.gz FOBHKJWZNHYTHV-INIZCTEOSA-N 1 0 292.379 2.135 10 0 CEAERO C[N@@H+]1CCC[C@](CC(=O)[O-])([NH+]2CCCCCC2)CC1 ZINC000086834375 179350022 /nfs/dbraw/zinc/35/00/22/179350022.db2.gz QLEDXZUBFZRVCO-HNNXBMFYSA-N 1 0 268.401 2.192 10 0 CEAERO C[N@@H+]1CCC[C@](O)(Cc2ccc(F)cc2F)CC1 ZINC000086834172 179350451 /nfs/dbraw/zinc/35/04/51/179350451.db2.gz QWTPLZUVMJUZSF-CQSZACIVSA-N 1 0 255.308 2.354 10 0 CEAERO CC[C@H](C)n1ccc(C[C@@]2(O)CCC[N@H+](C)CC2)n1 ZINC000086834223 179350729 /nfs/dbraw/zinc/35/07/29/179350729.db2.gz XXIKZOJQYUGJBC-DZGCQCFKSA-N 1 0 265.401 2.243 10 0 CEAERO CC(C)[N@@H+]1CCC[C@@H](Nc2cccc(C(N)=O)c2)CC1 ZINC000086836275 179352125 /nfs/dbraw/zinc/35/21/25/179352125.db2.gz WGXULGNXFRWIHY-CQSZACIVSA-N 1 0 275.396 2.460 10 0 CEAERO CC[N@@H+]1CCC[C@H](NCc2csc(C)n2)CC1 ZINC000086842575 179352978 /nfs/dbraw/zinc/35/29/78/179352978.db2.gz MTYUEPDPCMQZLO-LBPRGKRZSA-N 1 0 253.415 2.416 10 0 CEAERO CC(C)[N@@H+]1CCC[C@H](NCc2cscn2)CC1 ZINC000086845111 179354820 /nfs/dbraw/zinc/35/48/20/179354820.db2.gz SLWSZQDBCODOIF-LBPRGKRZSA-N 1 0 253.415 2.496 10 0 CEAERO CC[N@@H+]1CCC[C@](NCCOC)(c2nc(C)cs2)CC1 ZINC000086851693 179359905 /nfs/dbraw/zinc/35/99/05/179359905.db2.gz XJMFBRWJZXMYGF-OAHLLOKOSA-N 1 0 297.468 2.389 10 0 CEAERO CC(C)[N@@H+]1CCC[C@@](C(=O)[O-])([NH+]2CCCCC2)CC1 ZINC000086867811 179360467 /nfs/dbraw/zinc/36/04/67/179360467.db2.gz AVNLFTIRUPFIPN-OAHLLOKOSA-N 1 0 268.401 2.190 10 0 CEAERO CC[NH+](CC)[C@@]1(CC(=O)[O-])CCC[N@H+](CC)CC1 ZINC000086868494 179360937 /nfs/dbraw/zinc/36/09/37/179360937.db2.gz CMTSRYGWBXJXLM-AWEZNQCLSA-N 1 0 256.390 2.048 10 0 CEAERO CCOC(=O)[C@@]1(NC2CCCC2)CCC[N@H+](CC)CC1 ZINC000086850392 179358187 /nfs/dbraw/zinc/35/81/87/179358187.db2.gz CWRZHBZDLTURMA-MRXNPFEDSA-N 1 0 282.428 2.326 10 0 CEAERO CCCn1nccc1[C@@]1(O)CCC[N@H+](CCC)CC1 ZINC000086852732 179359102 /nfs/dbraw/zinc/35/91/02/179359102.db2.gz FEWSZONLGWMFRT-OAHLLOKOSA-N 1 0 265.401 2.377 10 0 CEAERO CCC[N@@H+]1CCC[C@@](O)(c2cc(C)cnc2N)CC1 ZINC000086852748 179359324 /nfs/dbraw/zinc/35/93/24/179359324.db2.gz FKTMVEJPPXTHRT-HNNXBMFYSA-N 1 0 263.385 2.056 10 0 CEAERO CCS(=O)(=O)CCC[C@@H](CCOc1ccccc1)[NH2+]C ZINC000086978383 179372375 /nfs/dbraw/zinc/37/23/75/179372375.db2.gz DJQKNPGTSWZGSD-AWEZNQCLSA-N 1 0 299.436 2.258 10 0 CEAERO CCC[NH2+][C@@H](CCCS(=O)(=O)CC)C[C@@H]1CCCO1 ZINC000086978855 179372458 /nfs/dbraw/zinc/37/24/58/179372458.db2.gz UIYWVCAQZHKOPC-KBPBESRZSA-N 1 0 291.457 2.139 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH2+]C)C1CCCCC1 ZINC000086978921 179372782 /nfs/dbraw/zinc/37/27/82/179372782.db2.gz UUXCXHHWHPGDSL-ZDUSSCGKSA-N 1 0 261.431 2.370 10 0 CEAERO CCS(=O)(=O)CCC[C@H](C[NH3+])Cc1ccc(C)cc1 ZINC000086980665 179373278 /nfs/dbraw/zinc/37/32/78/179373278.db2.gz YNKOOCRMZRDAJU-HNNXBMFYSA-N 1 0 283.437 2.327 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH2+]C)[C@@H]1Cc2ccccc21 ZINC000086979863 179373491 /nfs/dbraw/zinc/37/34/91/179373491.db2.gz RYRWZDJFJKVKKL-CABCVRRESA-N 1 0 281.421 2.129 10 0 CEAERO CSCCC[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000086903014 179367271 /nfs/dbraw/zinc/36/72/71/179367271.db2.gz LHUJMFWQCCGHNA-RYUDHWBXSA-N 1 0 261.456 2.384 10 0 CEAERO CCOC(=O)[C@@]1(NCC[NH+](C)C)CCC[C@H](CC)CC1 ZINC000086915936 179367435 /nfs/dbraw/zinc/36/74/35/179367435.db2.gz VIAWLYLBTMGEQY-GOEBONIOSA-N 1 0 284.444 2.430 10 0 CEAERO C[NH2+][C@@H](Cc1csc(C)n1)[C@@H]1CSCCS1 ZINC000086985063 179373675 /nfs/dbraw/zinc/37/36/75/179373675.db2.gz AJZUOMMICQIFCN-QWRGUYRKSA-N 1 0 274.480 2.431 10 0 CEAERO CC[NH2+]Cc1cnc([C@@H]2CSCCS2)nc1 ZINC000086985379 179374051 /nfs/dbraw/zinc/37/40/51/179374051.db2.gz ZRBNJWSQFJNCRB-JTQLQIEISA-N 1 0 255.412 2.107 10 0 CEAERO C[NH2+][C@H]1CCCCC[C@H]1c1nc(CCCOC)no1 ZINC000086971968 179370718 /nfs/dbraw/zinc/37/07/18/179370718.db2.gz WUPZVXGSUBZONB-NEPJUHHUSA-N 1 0 267.373 2.284 10 0 CEAERO C[NH2+][C@@H](Cc1ccccn1)[C@@H]1CSCCS1 ZINC000086984803 179373751 /nfs/dbraw/zinc/37/37/51/179373751.db2.gz ORDIMQUBWCUMIX-RYUDHWBXSA-N 1 0 254.424 2.061 10 0 CEAERO COc1cc([C@@H](C)[NH2+]CC2(O)CCCC2)ccc1O ZINC000087015648 179379889 /nfs/dbraw/zinc/37/98/89/179379889.db2.gz TZMDCNQUWSPAKI-LLVKDONJSA-N 1 0 265.353 2.357 10 0 CEAERO CCC(O)(CC)C[NH2+]C[C@@H](O)COc1cc(C)cc(C)c1 ZINC000087028239 179382063 /nfs/dbraw/zinc/38/20/63/179382063.db2.gz XDSAYRLKROZODO-OAHLLOKOSA-N 1 0 295.423 2.184 10 0 CEAERO CCC(O)(CC)CNC(=O)CC[C@H](CC[NH3+])C(C)(C)C ZINC000087027265 179381777 /nfs/dbraw/zinc/38/17/77/179381777.db2.gz VMYJWHCMSLAFOI-CYBMUJFWSA-N 1 0 286.460 2.445 10 0 CEAERO CCC(O)(CC)C[NH2+]CCCOCC(F)(F)F ZINC000087028378 179381858 /nfs/dbraw/zinc/38/18/58/179381858.db2.gz RPBDOWLNSLXDEO-UHFFFAOYSA-N 1 0 257.296 2.096 10 0 CEAERO CCCn1nccc1[C@@H]([NH3+])[C@@H]1CSCCS1 ZINC000086983855 179374175 /nfs/dbraw/zinc/37/41/75/179374175.db2.gz GDNXQDXCNVHPCQ-WDEREUQCSA-N 1 0 257.428 2.142 10 0 CEAERO CCOC1CCN([C@H](C[NH3+])c2ccc(OC)c(F)c2)CC1 ZINC000086983665 179374187 /nfs/dbraw/zinc/37/41/87/179374187.db2.gz VOYPHGJDZHFEBY-OAHLLOKOSA-N 1 0 296.386 2.335 10 0 CEAERO CCN1CCC[C@@H]([NH3+])[C@@H]1c1ccc(OC)c(F)c1 ZINC000086995356 179375925 /nfs/dbraw/zinc/37/59/25/179375925.db2.gz ORLWSRNDRGMVTA-OCCSQVGLSA-N 1 0 252.333 2.318 10 0 CEAERO [NH3+]CCN(C(=O)c1c(F)cc(F)cc1F)C1CCCC1 ZINC000086995781 179376988 /nfs/dbraw/zinc/37/69/88/179376988.db2.gz UHOFIAMEINKALI-UHFFFAOYSA-N 1 0 286.297 2.447 10 0 CEAERO C[C@@H]1CCCN(C(=O)c2c(F)cc(F)cc2F)[C@H]1C[NH3+] ZINC000086998041 179377752 /nfs/dbraw/zinc/37/77/52/179377752.db2.gz VURFBUBVNZLBCZ-PELKAZGASA-N 1 0 286.297 2.303 10 0 CEAERO C[C@H]1CCCN(C(=O)c2c(F)cc(F)cc2F)[C@H]1C[NH3+] ZINC000086998043 179378180 /nfs/dbraw/zinc/37/81/80/179378180.db2.gz VURFBUBVNZLBCZ-UFBFGSQYSA-N 1 0 286.297 2.303 10 0 CEAERO CC[C@@]1(C)C[NH2+]C[C@@H](c2nc3ccccc3n2C)O1 ZINC000087006743 179378424 /nfs/dbraw/zinc/37/84/24/179378424.db2.gz JDDFFPVPCMYOEC-ZFWWWQNUSA-N 1 0 259.353 2.403 10 0 CEAERO CCC1CCC(O)(C[NH2+][C@@H]2CCN(C(C)C)C2)CC1 ZINC000087052948 179388623 /nfs/dbraw/zinc/38/86/23/179388623.db2.gz HNYWEKHKOQAYPB-HWOWSKLDSA-N 1 0 268.445 2.390 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](c2nc(CSC(C)(C)C)no2)C1 ZINC000087115807 179395453 /nfs/dbraw/zinc/39/54/53/179395453.db2.gz IFUKYCCIKKAPFN-RKDXNWHRSA-N 1 0 271.386 2.151 10 0 CEAERO C[C@@H]([NH2+]CC1(O)CCC(C)(C)CC1)C(=O)N1CCCCC1 ZINC000087063422 179389959 /nfs/dbraw/zinc/38/99/59/179389959.db2.gz PYZKEYZNIYEQOU-CQSZACIVSA-N 1 0 296.455 2.308 10 0 CEAERO O=C(NCC1(O)CCCCCC1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000087089842 179393589 /nfs/dbraw/zinc/39/35/89/179393589.db2.gz XUPKHDQAIRKTLT-ILXRZTDVSA-N 1 0 294.439 2.109 10 0 CEAERO COCC[NH2+]CCCOCc1cccc(Cl)c1 ZINC000087096623 179394037 /nfs/dbraw/zinc/39/40/37/179394037.db2.gz LLGMMFWKARTMSW-UHFFFAOYSA-N 1 0 257.761 2.483 10 0 CEAERO C[NH2+][C@H](CCCS(C)(=O)=O)CSC1CCCC1 ZINC000087144798 179397114 /nfs/dbraw/zinc/39/71/14/179397114.db2.gz QNWMSPOHAIXKML-LLVKDONJSA-N 1 0 279.471 2.075 10 0 CEAERO OC1(Cc2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000087166256 179398434 /nfs/dbraw/zinc/39/84/34/179398434.db2.gz SBMSKJBNBKFBQT-UHFFFAOYSA-N 1 0 259.271 2.362 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH3+])CSc1ccccc1 ZINC000087162060 179398510 /nfs/dbraw/zinc/39/85/10/179398510.db2.gz MEVSFJHLDYCYOY-GFCCVEGCSA-N 1 0 287.450 2.321 10 0 CEAERO C[NH2+][C@H](CCCS(C)(=O)=O)CSc1ccccc1 ZINC000087162388 179398567 /nfs/dbraw/zinc/39/85/67/179398567.db2.gz YDPQINJAFZAVBW-GFCCVEGCSA-N 1 0 287.450 2.192 10 0 CEAERO CCN(C[C@@H](C)C[NH3+])C(=O)c1c(C)oc(C)c1C ZINC000087188237 179399780 /nfs/dbraw/zinc/39/97/80/179399780.db2.gz LEGLEKQUCUOWPZ-VIFPVBQESA-N 1 0 252.358 2.262 10 0 CEAERO O=C(C[C@H]1CCCO1)N1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000087210085 179401986 /nfs/dbraw/zinc/40/19/86/179401986.db2.gz OESZTSHVPVWCSM-CVEARBPZSA-N 1 0 294.439 2.326 10 0 CEAERO COc1cc(N[C@@H]2CCC[NH2+]CC2)cc(OC)c1 ZINC000128849629 187394096 /nfs/dbraw/zinc/39/40/96/187394096.db2.gz ZWGMJGMDASCPRT-LLVKDONJSA-N 1 0 250.342 2.258 10 0 CEAERO C[NH2+]Cc1ccc(O[C@@H](C)[C@@H](C)O)c(Br)c1 ZINC000087125623 179396022 /nfs/dbraw/zinc/39/60/22/179396022.db2.gz FYHWTNNXJPIKSH-BDAKNGLRSA-N 1 0 288.185 2.317 10 0 CEAERO C[NH2+]CCc1ncc(-c2cnn(-c3ccccc3)c2)o1 ZINC000087345084 179414826 /nfs/dbraw/zinc/41/48/26/179414826.db2.gz CMJWTXAAEVCTBU-UHFFFAOYSA-N 1 0 268.320 2.289 10 0 CEAERO CC[C@@H](CC[NH3+])CNc1ncncc1Br ZINC000087374499 179417266 /nfs/dbraw/zinc/41/72/66/179417266.db2.gz LPTZHOPMODUADA-QMMMGPOBSA-N 1 0 273.178 2.026 10 0 CEAERO CCOCC[C@H](O)[C@H](C[NH3+])c1ccc(F)cc1Cl ZINC000087380532 179417556 /nfs/dbraw/zinc/41/75/56/179417556.db2.gz RMBMUDVXNRICJP-YPMHNXCESA-N 1 0 275.751 2.309 10 0 CEAERO CCC(C)(C)[C@H](O)[C@H](C[NH3+])c1ccc2c(c1)OCCO2 ZINC000087382072 179417701 /nfs/dbraw/zinc/41/77/01/179417701.db2.gz HBXOHFRHRMYNDH-IUODEOHRSA-N 1 0 279.380 2.297 10 0 CEAERO CCOc1ccc([C@H](C[NH3+])[C@H](O)C(F)(F)F)cc1 ZINC000087378438 179417800 /nfs/dbraw/zinc/41/78/00/179417800.db2.gz RDPIDMXYUIGMPR-QWRGUYRKSA-N 1 0 263.259 2.051 10 0 CEAERO CC(C)[C@@H](C[NH3+])NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000087405040 179420113 /nfs/dbraw/zinc/42/01/13/179420113.db2.gz RIEUSSOPMUTUKL-CQSZACIVSA-N 1 0 298.452 2.246 10 0 CEAERO Cc1nc(-c2cnn(C)c2)nc(C)c1CC[NH2+]C(C)C ZINC000087426344 179424337 /nfs/dbraw/zinc/42/43/37/179424337.db2.gz FQJMNKDMQPOLLU-UHFFFAOYSA-N 1 0 273.384 2.034 10 0 CEAERO CC[C@H]([NH3+])Cc1cc(C)nc(-c2cccc(C)n2)n1 ZINC000104161615 185914825 /nfs/dbraw/zinc/91/48/25/185914825.db2.gz MDHMSVGZSVFPJN-LBPRGKRZSA-N 1 0 256.353 2.435 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1c1nc(C(C)C)ns1 ZINC000087642580 179462253 /nfs/dbraw/zinc/46/22/53/179462253.db2.gz MGZZMORVDDUXIR-SNVBAGLBSA-N 1 0 254.403 2.240 10 0 CEAERO C[C@@H]([NH3+])CCC[C@H](C)C(=O)N[C@@H](C)c1ccncc1 ZINC000087684565 179470377 /nfs/dbraw/zinc/47/03/77/179470377.db2.gz MUFAPEPKCJBWJA-XQQFMLRXSA-N 1 0 263.385 2.412 10 0 CEAERO CC[C@H](C)N(CCOC)C(=O)[C@@H](C)CCC[C@@H](C)[NH3+] ZINC000087700333 179473002 /nfs/dbraw/zinc/47/30/02/179473002.db2.gz RBIZYYUIZLKGKD-MJBXVCDLSA-N 1 0 272.433 2.414 10 0 CEAERO COC(=O)C(C)(C)C[C@H]([NH3+])c1ccc(OC)cc1 ZINC000087721774 179477210 /nfs/dbraw/zinc/47/72/10/179477210.db2.gz PJEIGGVMEOFKIF-LBPRGKRZSA-N 1 0 251.326 2.284 10 0 CEAERO COc1ccc(OC)c(CCOCC[NH2+]C(C)C)c1 ZINC000087730476 179479149 /nfs/dbraw/zinc/47/91/49/179479149.db2.gz BHEUJQVEJHPYKR-UHFFFAOYSA-N 1 0 267.369 2.261 10 0 CEAERO COc1cc(C2CC[NH+](C)CC2)c(C)cc1NC=O ZINC000616220704 348462092 /nfs/dbraw/zinc/46/20/92/348462092.db2.gz NELXPMSWFMHPLE-UHFFFAOYSA-N 1 0 262.353 2.381 10 0 CEAERO CCC[NH2+][C@H](c1cnn(CC)c1)C1CCOCC1 ZINC000087811916 179490306 /nfs/dbraw/zinc/49/03/06/179490306.db2.gz WGHXRUXQBJWHDF-AWEZNQCLSA-N 1 0 251.374 2.370 10 0 CEAERO CC[C@H](C[NH3+])C(=O)N(Cc1ccc(OC)cc1)C1CC1 ZINC000087524689 179440791 /nfs/dbraw/zinc/44/07/91/179440791.db2.gz SCZTXZOMTNXCJC-CYBMUJFWSA-N 1 0 276.380 2.171 10 0 CEAERO CC(=O)Nc1ccc([C@H]2CCC[N@H+](CCO)CC2)cc1 ZINC000616626972 348539444 /nfs/dbraw/zinc/53/94/44/348539444.db2.gz HAJRVVLMQNFDPL-AWEZNQCLSA-N 1 0 276.380 2.207 10 0 CEAERO c1cc(N[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)n[nH]1 ZINC000616630084 348540028 /nfs/dbraw/zinc/54/00/28/348540028.db2.gz OQNMNLKVENFWPX-HNNXBMFYSA-N 1 0 270.380 2.298 10 0 CEAERO OCc1cccc([C@H]2C[N@H+](Cc3ccccc3)CCN2)c1 ZINC000616632917 348541602 /nfs/dbraw/zinc/54/16/02/348541602.db2.gz DRTZTSBLORITNJ-GOSISDBHSA-N 1 0 282.387 2.325 10 0 CEAERO CCOC(=O)c1ccc([C@H]2C[N@@H+](C(C)C)CCN2)cc1 ZINC000616632659 348541636 /nfs/dbraw/zinc/54/16/36/348541636.db2.gz WETUBVLPMHXJAS-OAHLLOKOSA-N 1 0 276.380 2.218 10 0 CEAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@H]1c1ccccc1CO ZINC000616635754 348542312 /nfs/dbraw/zinc/54/23/12/348542312.db2.gz LQUKOLDDNVNRBJ-AWEZNQCLSA-N 1 0 292.379 2.060 10 0 CEAERO CCOC(=O)N1CC[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000616636814 348543076 /nfs/dbraw/zinc/54/30/76/348543076.db2.gz ZLYOUSSUGIZKLA-LBPRGKRZSA-N 1 0 268.744 2.443 10 0 CEAERO [NH3+]CCN1CCCOC[C@H]1c1ccc(Cl)cc1 ZINC000616644703 348545577 /nfs/dbraw/zinc/54/55/77/348545577.db2.gz GQUKVIVHEWHPNC-ZDUSSCGKSA-N 1 0 254.761 2.062 10 0 CEAERO Cc1ncsc1CC[C@@]1(C[NH3+])CCCC[C@H]1O ZINC000087931419 179526016 /nfs/dbraw/zinc/52/60/16/179526016.db2.gz FRJDBEZMLAFKCA-CHWSQXEVSA-N 1 0 254.399 2.264 10 0 CEAERO CCS(=O)(=O)CCC[C@]1(C[NH3+])CCC[C@H](C)C1 ZINC000087932330 179527203 /nfs/dbraw/zinc/52/72/03/179527203.db2.gz NCGDEKPCMCDMHQ-QWHCGFSZSA-N 1 0 261.431 2.357 10 0 CEAERO c1cc([C@@H]2C[N@H+](Cc3ccccc3)CCCO2)n[nH]1 ZINC000616652319 348548654 /nfs/dbraw/zinc/54/86/54/348548654.db2.gz KGVBLGVHUZUQBT-HNNXBMFYSA-N 1 0 257.337 2.373 10 0 CEAERO CCC[NH2+][C@@H](Cc1cnn(CC)c1)[C@H]1CCCOC1 ZINC000087815153 179491309 /nfs/dbraw/zinc/49/13/09/179491309.db2.gz FDMOATOTHOBRRV-GJZGRUSLSA-N 1 0 265.401 2.240 10 0 CEAERO CC[NH2+]CCc1c(C)nc([C@H]2CCCOC2)nc1C ZINC000087815526 179491341 /nfs/dbraw/zinc/49/13/41/179491341.db2.gz QYTTYNQCPCNGTC-ZDUSSCGKSA-N 1 0 263.385 2.139 10 0 CEAERO COc1ccc(CSc2nccc(C)n2)cc1C(N)=[NH2+] ZINC000087828853 179496584 /nfs/dbraw/zinc/49/65/84/179496584.db2.gz QXQGTWCHAHEBND-UHFFFAOYSA-N 1 0 288.376 2.370 10 0 CEAERO FC(F)(F)c1nc(-c2cncc(C3CC[NH2+]CC3)n2)no1 ZINC000616566798 348522889 /nfs/dbraw/zinc/52/28/89/348522889.db2.gz PUQPSSBPLUHQCR-UHFFFAOYSA-N 1 0 299.256 2.012 10 0 CEAERO CCC[NH2+][C@H](Cc1ccccc1C)[C@@H]1COCCO1 ZINC000087858579 179503173 /nfs/dbraw/zinc/50/31/73/179503173.db2.gz WRSIDGDZEKJUFE-CVEARBPZSA-N 1 0 263.381 2.321 10 0 CEAERO CCCC(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H]([NH3+])C1 ZINC000616571169 348524249 /nfs/dbraw/zinc/52/42/49/348524249.db2.gz POYFHQVMSZSFJH-KBPBESRZSA-N 1 0 264.344 2.269 10 0 CEAERO C[C@H]1CCCC[C@H]1CNc1nc(NN)[nH+]cc1F ZINC000087867394 179505796 /nfs/dbraw/zinc/50/57/96/179505796.db2.gz FOGHOXVLMCKZIU-IUCAKERBSA-N 1 0 253.325 2.140 10 0 CEAERO CC[N@@H+]1CCO[C@@H](c2cccc(NC(C)=O)c2)CC1 ZINC000616592611 348527752 /nfs/dbraw/zinc/52/77/52/348527752.db2.gz DFVCXTXODSLEJV-OAHLLOKOSA-N 1 0 262.353 2.428 10 0 CEAERO CC[N@@H+]1CCOCC[C@H]1c1ccccc1NC(C)=O ZINC000616598851 348529894 /nfs/dbraw/zinc/52/98/94/348529894.db2.gz SWGHAJVAWLLCBC-HNNXBMFYSA-N 1 0 262.353 2.428 10 0 CEAERO C[C@@H]1CC[C@H](Nc2nc(NN)[nH+]cc2F)C[C@@H]1C ZINC000087882425 179510042 /nfs/dbraw/zinc/51/00/42/179510042.db2.gz DMBRTWMSGVSPQK-VGMNWLOBSA-N 1 0 253.325 2.138 10 0 CEAERO CCOC(=O)c1ccc([C@H]2CCCC[N@H+](CCO)C2)cc1 ZINC000616603941 348531989 /nfs/dbraw/zinc/53/19/89/348531989.db2.gz KMGZDIZPBIVWCC-INIZCTEOSA-N 1 0 291.391 2.425 10 0 CEAERO CC(C)[N@@H+]1CCOC[C@@H](c2cccc3ccnnc32)C1 ZINC000616659217 348551298 /nfs/dbraw/zinc/55/12/98/348551298.db2.gz DCFYLGDCNUWFLG-AWEZNQCLSA-N 1 0 271.364 2.454 10 0 CEAERO CC(C)[C@H]1CCCN1c1nc(NN)[nH+]cc1Cl ZINC000087889887 179513799 /nfs/dbraw/zinc/51/37/99/179513799.db2.gz GWWDJOGBNAXYKJ-SECBINFHSA-N 1 0 255.753 2.040 10 0 CEAERO CC[C@H]1CCC[C@@H](Oc2cc(NN)[nH+]c(C)n2)C1 ZINC000087890706 179513834 /nfs/dbraw/zinc/51/38/34/179513834.db2.gz QEQIOVXUQMATSN-WDEREUQCSA-N 1 0 250.346 2.418 10 0 CEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H](c2cn[nH]c2)C1 ZINC000616622049 348538042 /nfs/dbraw/zinc/53/80/42/348538042.db2.gz ZRNOOBIAEBQKBT-LBPRGKRZSA-N 1 0 294.399 2.114 10 0 CEAERO Cc1ccc(Br)c(-c2nc(CC[NH3+])no2)c1 ZINC000088028052 179537384 /nfs/dbraw/zinc/53/73/84/179537384.db2.gz YAPPYJODSYPHCB-UHFFFAOYSA-N 1 0 282.141 2.309 10 0 CEAERO C[C@H](C[NH3+])S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000088068567 179544117 /nfs/dbraw/zinc/54/41/17/179544117.db2.gz YTXBONQVJRBCDC-SSDOTTSWSA-N 1 0 282.192 2.255 10 0 CEAERO O[C@H]1CCCC[C@@H]1C[NH2+]CCc1ccc2c(c1)CCO2 ZINC000088102235 179547887 /nfs/dbraw/zinc/54/78/87/179547887.db2.gz RRHOFICTWVAMMD-CVEARBPZSA-N 1 0 275.392 2.305 10 0 CEAERO C[NH2+][C@H]1CCCc2c(OCc3nnc(C)n3C)cccc21 ZINC000088151725 179557690 /nfs/dbraw/zinc/55/76/90/179557690.db2.gz IRZXIXOKDLSEMN-AWEZNQCLSA-N 1 0 286.379 2.299 10 0 CEAERO CC(C)C[C@@H](C[NH3+])CC(=O)Nc1ccc(O)cc1 ZINC000088276779 179574018 /nfs/dbraw/zinc/57/40/18/179574018.db2.gz BGIYXFXAHQOPEX-LLVKDONJSA-N 1 0 250.342 2.342 10 0 CEAERO c1ccc(C[N@@H+]2CCO[C@@H](c3ccnnc3)CC2)cc1 ZINC000616662127 348552859 /nfs/dbraw/zinc/55/28/59/348552859.db2.gz AWRRDIOQPUJPSU-MRXNPFEDSA-N 1 0 269.348 2.440 10 0 CEAERO OCC[N@@H+]1CCc2ccccc2[C@H]1c1cccnc1 ZINC000616678945 348558390 /nfs/dbraw/zinc/55/83/90/348558390.db2.gz PVOJUBIPRFBEKL-MRXNPFEDSA-N 1 0 254.333 2.021 10 0 CEAERO [NH3+]CCN1CCc2ccccc2[C@H]1OC(F)(F)F ZINC000616679761 348559020 /nfs/dbraw/zinc/55/90/20/348559020.db2.gz WWGFEFRNUIGLPF-LLVKDONJSA-N 1 0 260.259 2.038 10 0 CEAERO Nc1ccc([C@H]2CN(CC[NH3+])c3ccccc3N2)cc1 ZINC000616685656 348560267 /nfs/dbraw/zinc/56/02/67/348560267.db2.gz RMHJOQOQWPLOED-OAHLLOKOSA-N 1 0 268.364 2.201 10 0 CEAERO COCCC[NH2+]CCN(C)[C@H](C)Cc1ccccc1OC ZINC000088243136 179569381 /nfs/dbraw/zinc/56/93/81/179569381.db2.gz MQVUEOWJVUSTCC-OAHLLOKOSA-N 1 0 294.439 2.184 10 0 CEAERO Cc1nc(CNC(=O)C[C@H](C[NH3+])CC(C)C)cs1 ZINC000088278123 179574407 /nfs/dbraw/zinc/57/44/07/179574407.db2.gz QLVPWXRIQTZFTE-LLVKDONJSA-N 1 0 269.414 2.079 10 0 CEAERO CC[C@H](C[NH3+])c1nc(C2Cc3ccccc3C2)no1 ZINC000087996855 179533045 /nfs/dbraw/zinc/53/30/45/179533045.db2.gz WCCRBMNZYDTUFA-SNVBAGLBSA-N 1 0 257.337 2.404 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1cnn(C)c1)N1CCC[C@H](C(F)(F)F)C1 ZINC000088416995 179596236 /nfs/dbraw/zinc/59/62/36/179596236.db2.gz SMKPUNMCIBUEJP-DLOVCJGASA-N 1 0 290.333 2.083 10 0 CEAERO Nc1ccn(CCC[NH+]2CCC(C(F)(F)F)CC2)n1 ZINC000088417385 179596532 /nfs/dbraw/zinc/59/65/32/179596532.db2.gz IYQWUPUBRFKNDT-UHFFFAOYSA-N 1 0 276.306 2.130 10 0 CEAERO CN(CCC(F)(F)F)C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000088420138 179596889 /nfs/dbraw/zinc/59/68/89/179596889.db2.gz BCRJWCWEBNCRED-JTQLQIEISA-N 1 0 266.307 2.177 10 0 CEAERO CCCN(CC(F)(F)F)C(=O)[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000088450578 179605836 /nfs/dbraw/zinc/60/58/36/179605836.db2.gz DHFJFWOVLWKYGV-UWVGGRQHSA-N 1 0 266.307 2.033 10 0 CEAERO CSC[C@@H](C)CNC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000088289378 179575794 /nfs/dbraw/zinc/57/57/94/179575794.db2.gz HAMLILRSMAOFJR-RYUDHWBXSA-N 1 0 260.447 2.113 10 0 CEAERO CCC[NH2+][C@@H](Cc1ncnn1C)c1cccs1 ZINC000088581663 179629341 /nfs/dbraw/zinc/62/93/41/179629341.db2.gz DOUVROFMURHYQN-JTQLQIEISA-N 1 0 250.371 2.160 10 0 CEAERO Cn1ncnc1C[C@@H]([NH3+])c1cccc2ccccc21 ZINC000088582060 179629462 /nfs/dbraw/zinc/62/94/62/179629462.db2.gz OJEVEJCWTIIIPX-CQSZACIVSA-N 1 0 252.321 2.211 10 0 CEAERO CC[C@](C[NH2+]C1CC1)(Cc1ncnn1C)c1ccccc1 ZINC000088583257 179630060 /nfs/dbraw/zinc/63/00/60/179630060.db2.gz ISOFWWVWZLPRIL-QGZVFWFLSA-N 1 0 284.407 2.458 10 0 CEAERO Cn1ncnc1C[C@H](C[NH2+]C1CC1)Cc1ccccc1F ZINC000088583146 179630316 /nfs/dbraw/zinc/63/03/16/179630316.db2.gz OFNAQOKURHGSCN-GFCCVEGCSA-N 1 0 288.370 2.108 10 0 CEAERO CCCn1ncnc1CN(C)C1(C[NH3+])CCC(CC)CC1 ZINC000088585967 179631134 /nfs/dbraw/zinc/63/11/34/179631134.db2.gz ZMLCCJJGXUTSTN-UHFFFAOYSA-N 1 0 293.459 2.418 10 0 CEAERO CC[C@H]1CC[C@@]([NH3+])(Cc2ncnn2CC(C)C)C1 ZINC000088607342 179636577 /nfs/dbraw/zinc/63/65/77/179636577.db2.gz KYUYETJSDXKOQQ-JSGCOSHPSA-N 1 0 250.390 2.384 10 0 CEAERO C[NH2+][C@@H](Cc1cccs1)Cc1ncnn1CC(C)C ZINC000088611631 179638476 /nfs/dbraw/zinc/63/84/76/179638476.db2.gz HUSMRPMDAANUMU-LBPRGKRZSA-N 1 0 278.425 2.369 10 0 CEAERO CCCn1ncnc1C[C@H](Cc1nc(C)cs1)[NH2+]CC ZINC000088611894 179638748 /nfs/dbraw/zinc/63/87/48/179638748.db2.gz KHUVJBRFCYMNJX-GFCCVEGCSA-N 1 0 293.440 2.216 10 0 CEAERO CCCn1ncnc1CC1(C[NH2+]CCOC)CCCC1 ZINC000088621148 179641378 /nfs/dbraw/zinc/64/13/78/179641378.db2.gz YFGODAPOIQDMCO-UHFFFAOYSA-N 1 0 280.416 2.027 10 0 CEAERO CC(C)C[C@H]1CN(Cc2ncnn2CC(C)C)CCC[NH2+]1 ZINC000088625839 179643045 /nfs/dbraw/zinc/64/30/45/179643045.db2.gz IGBVGFHHKVLEMJ-HNNXBMFYSA-N 1 0 293.459 2.144 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@H](C2CC2)CN1Cc1ncnn1C(C)C ZINC000088625753 179643177 /nfs/dbraw/zinc/64/31/77/179643177.db2.gz HHMGADICRFVBNB-GJZGRUSLSA-N 1 0 291.443 2.067 10 0 CEAERO C[C@H]1CCCCC[C@@H]1NC(=O)c1cc[nH+]c(NN)c1 ZINC000088517767 179617467 /nfs/dbraw/zinc/61/74/67/179617467.db2.gz AAOVSKAYWWWCRI-JQWIXIFHSA-N 1 0 262.357 2.066 10 0 CEAERO C[NH2+][C@H](Cc1ccncc1)Cc1ccc(OC)c(OC)c1 ZINC000088529966 179618077 /nfs/dbraw/zinc/61/80/77/179618077.db2.gz GHBAPHRQPFUDJH-OAHLLOKOSA-N 1 0 286.375 2.472 10 0 CEAERO C[NH2+][C@H](Cc1ccncc1)Cc1ccc(OC)cc1 ZINC000088529993 179618248 /nfs/dbraw/zinc/61/82/48/179618248.db2.gz UKNACTHMEKESDX-HNNXBMFYSA-N 1 0 256.349 2.463 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1c(F)cc(F)cc1F ZINC000088721459 179658222 /nfs/dbraw/zinc/65/82/22/179658222.db2.gz OCAXPZKXQUBOKV-QUBYGPBYSA-N 1 0 260.259 2.416 10 0 CEAERO CCOC[C@@H]([NH3+])Cc1ccc(OC(F)(F)F)cc1 ZINC000088737748 179661414 /nfs/dbraw/zinc/66/14/14/179661414.db2.gz CGVUZWBXSGDUHU-JTQLQIEISA-N 1 0 263.259 2.492 10 0 CEAERO COc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CC=CCC1 ZINC000088748721 179664243 /nfs/dbraw/zinc/66/42/43/179664243.db2.gz CKSFDAVRCMUIRB-KGLIPLIRSA-N 1 0 277.364 2.133 10 0 CEAERO CCC[NH2+][C@H]1C[C@@H](Cc2cc(CO)on2)C1(C)C ZINC000067889938 362930531 /nfs/dbraw/zinc/93/05/31/362930531.db2.gz JSSHITQFEVSNSM-MFKMUULPSA-N 1 0 252.358 2.124 10 0 CEAERO CC[C@H](C)NS(=O)(=O)Cc1cccc(C[NH2+]C(C)C)c1 ZINC000088978031 179689473 /nfs/dbraw/zinc/68/94/73/179689473.db2.gz RCELGAMNPHXWLS-ZDUSSCGKSA-N 1 0 298.452 2.403 10 0 CEAERO C[NH2+]Cc1cc(S(=O)(=O)N(C)CCC(C)C)cs1 ZINC000088991474 179690059 /nfs/dbraw/zinc/69/00/59/179690059.db2.gz MCXQPTHBKFSTFD-UHFFFAOYSA-N 1 0 290.454 2.134 10 0 CEAERO C[NH2+]Cc1ccc(S(=O)(=O)N(C)CC(C)(C)C)s1 ZINC000089013530 179690930 /nfs/dbraw/zinc/69/09/30/179690930.db2.gz CFHPYMILQZBCRQ-UHFFFAOYSA-N 1 0 290.454 2.134 10 0 CEAERO CC(C)C[C@@H](C)N(C)S(=O)(=O)c1ccsc1C[NH3+] ZINC000089004925 179691222 /nfs/dbraw/zinc/69/12/22/179691222.db2.gz DPFODJHVKADZBA-SNVBAGLBSA-N 1 0 290.454 2.262 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1CCOC(F)(F)F ZINC000089056789 179694937 /nfs/dbraw/zinc/69/49/37/179694937.db2.gz UGFXVIQBNPJFLN-GHMZBOCLSA-N 1 0 268.323 2.231 10 0 CEAERO CC[NH2+]Cc1ccc(CS(=O)(=O)NC[C@@H](C)CC)cc1 ZINC000089025557 179692841 /nfs/dbraw/zinc/69/28/41/179692841.db2.gz BYPMTZCXMVQYAA-ZDUSSCGKSA-N 1 0 298.452 2.262 10 0 CEAERO C[N@H+](CCOc1ccccc1)C[C@H](O)COC(C)(C)C ZINC000068047087 362934670 /nfs/dbraw/zinc/93/46/70/362934670.db2.gz ZUHQLQQYLXMBJC-AWEZNQCLSA-N 1 0 281.396 2.173 10 0 CEAERO CN(C(=O)c1ccccc1F)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089118821 179711023 /nfs/dbraw/zinc/71/10/23/179711023.db2.gz BMPPWNOIAUKVGX-RISCZKNCSA-N 1 0 264.344 2.415 10 0 CEAERO Cc1nn(C)c(Oc2cc(F)ccc2F)c1CC[NH3+] ZINC000104297634 185958204 /nfs/dbraw/zinc/95/82/04/185958204.db2.gz YCKWRZSHASCSAC-UHFFFAOYSA-N 1 0 267.279 2.300 10 0 CEAERO C[NH2+]Cc1cccc2c1ccn2Cc1cc(C)nn1C ZINC000089188777 179748369 /nfs/dbraw/zinc/74/83/69/179748369.db2.gz HDRXKKIBDBDOAE-UHFFFAOYSA-N 1 0 268.364 2.451 10 0 CEAERO CCn1nc(C[C@@H]([NH3+])[C@@H]2CCCO2)c2ccccc21 ZINC000089178092 179742995 /nfs/dbraw/zinc/74/29/95/179742995.db2.gz RMGHATVLPPBSBB-DOMZBBRYSA-N 1 0 259.353 2.105 10 0 CEAERO C[C@@H]1CN(Cc2nn(C)c3ccccc23)[C@H](C2CC2)C[NH2+]1 ZINC000089180295 179744108 /nfs/dbraw/zinc/74/41/08/179744108.db2.gz YVUQRHPBQZRYSE-PXAZEXFGSA-N 1 0 284.407 2.146 10 0 CEAERO Cc1cc(CO[C@@]2(C[NH3+])CCC[C@@H](C)C2)n(C)n1 ZINC000089180768 179744699 /nfs/dbraw/zinc/74/46/99/179744699.db2.gz RNEQDWCVDASQJM-RISCZKNCSA-N 1 0 251.374 2.153 10 0 CEAERO CCn1nc(C[C@]2(C[NH3+])CCC[C@H]2O)c2ccccc21 ZINC000089180491 179744877 /nfs/dbraw/zinc/74/48/77/179744877.db2.gz WILYMFXQZCGHOA-CVEARBPZSA-N 1 0 273.380 2.089 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCc1ccc(F)c(Cl)c1 ZINC000089461702 539719160 /nfs/dbraw/zinc/71/91/60/539719160.db2.gz YUXGVTPEXDZCCQ-QWRGUYRKSA-N 1 0 284.762 2.470 10 0 CEAERO Cc1cccc(CCNC(=O)[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089461508 539719166 /nfs/dbraw/zinc/71/91/66/539719166.db2.gz FQOCTZWJMRUAKT-CABCVRRESA-N 1 0 260.381 2.029 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000089461766 539719251 /nfs/dbraw/zinc/71/92/51/539719251.db2.gz WDBNEMKPCRZJFC-IONNQARKSA-N 1 0 272.270 2.417 10 0 CEAERO COCC[NH2+]CC1(Cc2c(Cl)c(C)nn2C)CCC1 ZINC000089255966 179761262 /nfs/dbraw/zinc/76/12/62/179761262.db2.gz XOUWUTCSQCZJST-UHFFFAOYSA-N 1 0 285.819 2.331 10 0 CEAERO Cc1ccc(C)c(OCC[N@@H+]2C[C@H](C)C[C@@H](O)C2)c1 ZINC000401707929 233184365 /nfs/dbraw/zinc/18/43/65/233184365.db2.gz RPYSWVAHMXAILO-UKRRQHHQSA-N 1 0 263.381 2.385 10 0 CEAERO C[C@H]1C[C@H](O)C[N@H+](CCOc2ccccc2Cl)C1 ZINC000401688465 233184633 /nfs/dbraw/zinc/18/46/33/233184633.db2.gz DKDHSSAODLHBRO-RYUDHWBXSA-N 1 0 269.772 2.422 10 0 CEAERO CC[NH2+][C@@H](Cc1cc(CC)nn1C)C[C@H]1CCCO1 ZINC000089193171 179749839 /nfs/dbraw/zinc/74/98/39/179749839.db2.gz DGZQFFULSZKKQV-DZGCQCFKSA-N 1 0 265.401 2.072 10 0 CEAERO C[NH2+][C@H](Cc1cc(C)nn1C)Cc1ccc(OC)cc1 ZINC000089193580 179749918 /nfs/dbraw/zinc/74/99/18/179749918.db2.gz VFTXOWKGIGLZRH-AWEZNQCLSA-N 1 0 273.380 2.110 10 0 CEAERO COc1ccc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])cc1OC ZINC000089449090 539716281 /nfs/dbraw/zinc/71/62/81/539716281.db2.gz YCIBKNNKZNEXOK-PWSUYJOCSA-N 1 0 278.352 2.017 10 0 CEAERO Cc1nc2cc(NC(=O)[C@H]3CCC[C@@H]3C[NH3+])ccc2[nH]1 ZINC000089453831 539716629 /nfs/dbraw/zinc/71/66/29/539716629.db2.gz HBSCYGNIFKCGPP-PWSUYJOCSA-N 1 0 272.352 2.185 10 0 CEAERO COc1cc(C)ccc1NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089454999 539717235 /nfs/dbraw/zinc/71/72/35/539717235.db2.gz VGLCFQCPSYXFOP-RYUDHWBXSA-N 1 0 262.353 2.317 10 0 CEAERO CN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089456095 539717598 /nfs/dbraw/zinc/71/75/98/539717598.db2.gz FBQAMCLFDCRPIZ-NEPJUHHUSA-N 1 0 282.334 2.298 10 0 CEAERO Cc1cc(Cn2ncc(C[NH2+]C(C)(C)C)c2C)n(C)n1 ZINC000089207472 179754133 /nfs/dbraw/zinc/75/41/33/179754133.db2.gz OEICIMGJOFIFAU-UHFFFAOYSA-N 1 0 275.400 2.170 10 0 CEAERO CCc1cc(C[C@@H](C[NH2+]CCOC)CC(C)C)n(C)n1 ZINC000089206319 179754265 /nfs/dbraw/zinc/75/42/65/179754265.db2.gz QCZWQEUYXNWQND-AWEZNQCLSA-N 1 0 281.444 2.423 10 0 CEAERO CCc1cc(CN2C[C@H](CC)[NH2+]C[C@@]2(C)C2CC2)n(C)n1 ZINC000089209907 179755019 /nfs/dbraw/zinc/75/50/19/179755019.db2.gz MZQZZNBMQUTNAJ-RDJZCZTQSA-N 1 0 290.455 2.335 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCc1ccccc1OC(F)F ZINC000089460118 539718133 /nfs/dbraw/zinc/71/81/33/539718133.db2.gz IBOPIJASKYMFLU-CMPLNLGQSA-N 1 0 298.333 2.279 10 0 CEAERO CC1CCC(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089462314 539718502 /nfs/dbraw/zinc/71/85/02/539718502.db2.gz UUYHDBUTUCVZRE-NWINJMCUSA-N 1 0 252.402 2.304 10 0 CEAERO COc1cc(N[C@H](C)[C@H]2CC[NH2+]C2)cc(OC)c1 ZINC000400343924 233176201 /nfs/dbraw/zinc/17/62/01/233176201.db2.gz GOMQLMMJVVQLAX-MNOVXSKESA-N 1 0 250.342 2.114 10 0 CEAERO CCc1nn(C)c(CN2CC[NH2+][C@@H](C(C)(C)C)C2)c1Cl ZINC000089346038 179770940 /nfs/dbraw/zinc/77/09/40/179770940.db2.gz DYVDDPJCFXBHTM-CYBMUJFWSA-N 1 0 298.862 2.456 10 0 CEAERO CCn1nc(C)c(Cl)c1CN[C@@H](C)C[NH+]1CCCC1 ZINC000089276940 179763824 /nfs/dbraw/zinc/76/38/24/179763824.db2.gz SGHXYPSMXGBYDO-NSHDSACASA-N 1 0 284.835 2.439 10 0 CEAERO CCn1nc(C)c(Cl)c1COC[C@H]1CCC[NH2+]C1 ZINC000089280096 179764633 /nfs/dbraw/zinc/76/46/33/179764633.db2.gz QSXJCFYUQJTNOY-NSHDSACASA-N 1 0 271.792 2.381 10 0 CEAERO CCO[C@@H](C)[C@H](Cc1c(Cl)c(C)nn1CC)[NH2+]C ZINC000089297122 179766823 /nfs/dbraw/zinc/76/68/23/179766823.db2.gz RQTSYTMLHDPNNL-QWRGUYRKSA-N 1 0 273.808 2.420 10 0 CEAERO COc1cccc(CN(C)C(=O)[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000089390764 179778687 /nfs/dbraw/zinc/77/86/87/179778687.db2.gz FKEOXZBEOJLECX-GOEBONIOSA-N 1 0 290.407 2.419 10 0 CEAERO COc1ccc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])c(OC)c1 ZINC000089448763 179791919 /nfs/dbraw/zinc/79/19/19/179791919.db2.gz PJRSWDHGGBPHBD-PWSUYJOCSA-N 1 0 278.352 2.017 10 0 CEAERO CCN(Cc1ccco1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089456796 179794706 /nfs/dbraw/zinc/79/47/06/179794706.db2.gz GKJDHVAMXJVVQL-YPMHNXCESA-N 1 0 250.342 2.003 10 0 CEAERO CCc1nn(CC)c(C[C@](C)(C[NH3+])[C@H](C)O)c1Cl ZINC000089379810 179775245 /nfs/dbraw/zinc/77/52/45/179775245.db2.gz FRYBJWXYBIHVSB-TVQRCGJNSA-N 1 0 273.808 2.007 10 0 CEAERO Cc1ncsc1CCOC[C@H]1CCC[C@H]1C[NH3+] ZINC000089537349 179813032 /nfs/dbraw/zinc/81/30/32/179813032.db2.gz XDXPXZFPPAELRK-NWDGAFQWSA-N 1 0 254.399 2.386 10 0 CEAERO C[NH2+]C1CCC(O)(Cc2ccc(F)cc2F)CC1 ZINC000089539547 179814153 /nfs/dbraw/zinc/81/41/53/179814153.db2.gz NHIMXARYTRMJCB-UHFFFAOYSA-N 1 0 255.308 2.400 10 0 CEAERO COCc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2CO)cc1 ZINC000089492612 179802861 /nfs/dbraw/zinc/80/28/61/179802861.db2.gz YBADMJVMHNNDIR-HZPDHXFCSA-N 1 0 263.381 2.331 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1CNC(=O)c1nccc2ccccc21 ZINC000089500726 179804792 /nfs/dbraw/zinc/80/47/92/179804792.db2.gz PTJPZQOFGGGLJU-KGLIPLIRSA-N 1 0 283.375 2.340 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1CNC(=O)Nc1ccc(F)cc1F ZINC000089500836 179805666 /nfs/dbraw/zinc/80/56/66/179805666.db2.gz ITUXPJJVRGZQBJ-UWVGGRQHSA-N 1 0 283.322 2.461 10 0 CEAERO CCN(C(=O)C[C@H]1CC[NH2+]C1)c1cccc(F)c1 ZINC000089747499 179859404 /nfs/dbraw/zinc/85/94/04/179859404.db2.gz FKFVRKKVQFHREU-LLVKDONJSA-N 1 0 250.317 2.178 10 0 CEAERO CC(C)(C[NH+]1CC(O)(C2CC2)C1)C(=O)Nc1ccccc1 ZINC000089679546 179845580 /nfs/dbraw/zinc/84/55/80/179845580.db2.gz LEUOFYXAAMNKKT-UHFFFAOYSA-N 1 0 288.391 2.108 10 0 CEAERO CCn1cncc1[C@H](C[NH3+])N(C)c1ccccc1OC ZINC000090174807 179926166 /nfs/dbraw/zinc/92/61/66/179926166.db2.gz XOAABDUOWOSTFY-ZDUSSCGKSA-N 1 0 274.368 2.048 10 0 CEAERO C[NH2+]Cc1cncn1CCc1cc(F)cc(F)c1 ZINC000090242277 179939047 /nfs/dbraw/zinc/93/90/47/179939047.db2.gz JXXAQOICZPZKGC-UHFFFAOYSA-N 1 0 251.280 2.123 10 0 CEAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)/C=C/c1cccs1 ZINC000090330378 179962407 /nfs/dbraw/zinc/96/24/07/179962407.db2.gz ANEMFHSFNIAADU-NPUVNDQUSA-N 1 0 276.405 2.218 10 0 CEAERO CC(C)[NH2+][C@](C)(C[C@@H](C)OCCC(C)(C)C)C(N)=O ZINC000090350175 179971798 /nfs/dbraw/zinc/97/17/98/179971798.db2.gz LQCXRCCAQTZROW-IUODEOHRSA-N 1 0 272.433 2.460 10 0 CEAERO CCOc1ccccc1NC(=O)CSC[C@@H](C)C[NH3+] ZINC000090350702 179971993 /nfs/dbraw/zinc/97/19/93/179971993.db2.gz QGFCCZZEEAWPTB-NSHDSACASA-N 1 0 282.409 2.352 10 0 CEAERO C[C@H](C[NH3+])CSCC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000090350952 179972900 /nfs/dbraw/zinc/97/29/00/179972900.db2.gz HCIFIADICOITPN-MNOVXSKESA-N 1 0 284.400 2.331 10 0 CEAERO C[C@@H](CC[NH3+])SCC(=O)N(C)Cc1cccs1 ZINC000090355066 179974316 /nfs/dbraw/zinc/97/43/16/179974316.db2.gz AHGIMZNSVNAHRG-JTQLQIEISA-N 1 0 272.439 2.177 10 0 CEAERO CC[C@@H]([NH3+])CSCC(=O)N[C@H](C)c1ccccc1 ZINC000090356765 179975239 /nfs/dbraw/zinc/97/52/39/179975239.db2.gz YNEZHVLIUXJNQY-DGCLKSJQSA-N 1 0 266.410 2.334 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000090311265 179956493 /nfs/dbraw/zinc/95/64/93/179956493.db2.gz VHVACWLGUMWDIB-KFWWJZLASA-N 1 0 290.407 2.219 10 0 CEAERO CC[NH2+][C@@H]1COC[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000090489082 179991170 /nfs/dbraw/zinc/99/11/70/179991170.db2.gz ACRPMIREUPOIDN-BYNSBNAKSA-N 1 0 296.455 2.332 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)Nc1cc(C)ccc1C ZINC000090538810 180000577 /nfs/dbraw/zinc/00/05/77/180000577.db2.gz JEXSRIPWBTWTFV-HIFRSBDPSA-N 1 0 276.380 2.257 10 0 CEAERO CCCCCN(C(=O)[C@H]1COC[C@@H]1[NH2+]CCC)C(C)C ZINC000090541901 180000722 /nfs/dbraw/zinc/00/07/22/180000722.db2.gz RAFFDKUZAUFCML-GJZGRUSLSA-N 1 0 284.444 2.428 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccc2[nH]ccc2c1 ZINC000090543283 180000841 /nfs/dbraw/zinc/00/08/41/180000841.db2.gz BLOJPHHLWCGOAX-HIFRSBDPSA-N 1 0 287.363 2.121 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)N1CCC(CC)(CC)CC1 ZINC000090545171 180000928 /nfs/dbraw/zinc/00/09/28/180000928.db2.gz FHSYTBYUIAITPP-HUUCEWRRSA-N 1 0 296.455 2.430 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)N[C@@H](C)c1ccc(C)s1 ZINC000090543813 180001053 /nfs/dbraw/zinc/00/10/53/180001053.db2.gz QPAGMNPDMZYQKG-YNEHKIRRSA-N 1 0 296.436 2.248 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)NC1CCC(CC)CC1 ZINC000090543769 180001208 /nfs/dbraw/zinc/00/12/08/180001208.db2.gz ITCQPZXBHCPWLL-NEXFUWMNSA-N 1 0 282.428 2.086 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)N(CC)c1ccc(C)cc1 ZINC000090544428 180001228 /nfs/dbraw/zinc/00/12/28/180001228.db2.gz YRUAOUHBCWCBJG-CVEARBPZSA-N 1 0 290.407 2.363 10 0 CEAERO COc1ccc(CN(CC2CC2)[C@@H]2CC[NH2+]C2)cc1 ZINC000090547625 180001776 /nfs/dbraw/zinc/00/17/76/180001776.db2.gz VMQIIBXKPCCSHU-OAHLLOKOSA-N 1 0 260.381 2.269 10 0 CEAERO CCC(CC)[C@@H](C)[NH2+]Cc1c(OC)ncnc1OC ZINC000104437259 186001282 /nfs/dbraw/zinc/00/12/82/186001282.db2.gz OFHBOBUWHUIRQZ-SNVBAGLBSA-N 1 0 267.373 2.408 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1CN(C)Cc1ccccc1F ZINC000090566299 180006114 /nfs/dbraw/zinc/00/61/14/180006114.db2.gz BJSGUERSZVPIPD-ZBFHGGJFSA-N 1 0 280.387 2.272 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1CN(CCC)CC(F)(F)F ZINC000090566613 180006649 /nfs/dbraw/zinc/00/66/49/180006649.db2.gz CQJXIDBOULWZIF-NEPJUHHUSA-N 1 0 282.350 2.275 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1CN(C)c1cccc(C)c1 ZINC000090566721 180006950 /nfs/dbraw/zinc/00/69/50/180006950.db2.gz SLNIYKMBEWUDIR-ZBFHGGJFSA-N 1 0 262.397 2.446 10 0 CEAERO C[C@@]1(C(=O)Nc2cc(Cl)cc(Cl)c2)COC[C@H]1[NH3+] ZINC000090580623 180008369 /nfs/dbraw/zinc/00/83/69/180008369.db2.gz JFQQYILDZDUXIB-ZYHUDNBSSA-N 1 0 289.162 2.296 10 0 CEAERO C[C@@H]1C[C@H]([NH2+]CCC(=O)NC2CC2)CC(C)(C)C1 ZINC000090714663 180028806 /nfs/dbraw/zinc/02/88/06/180028806.db2.gz QXTXOMDNZQFTQE-YPMHNXCESA-N 1 0 252.402 2.460 10 0 CEAERO Cc1ccccc1[C@@H]1CCCN1C(=O)[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090593817 180010300 /nfs/dbraw/zinc/01/03/00/180010300.db2.gz ZNTAZVVOHPYUMJ-ZOBUZTSGSA-N 1 0 288.391 2.022 10 0 CEAERO CCCN(Cc1ccc(C)cc1)C(=O)[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090590689 180010634 /nfs/dbraw/zinc/01/06/34/180010634.db2.gz ABPPINMUDJTBID-RDJZCZTQSA-N 1 0 290.407 2.097 10 0 CEAERO C[C@@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)NCC1(C)CCCC1 ZINC000104438850 186002218 /nfs/dbraw/zinc/00/22/18/186002218.db2.gz DSBJPQRDLPKPFP-AGIUHOORSA-N 1 0 252.402 2.446 10 0 CEAERO CC(C)[NH2+][C@@](C)(CCCCO[C@H](C)C(F)(F)F)C(N)=O ZINC000090674194 180021908 /nfs/dbraw/zinc/02/19/08/180021908.db2.gz KHTUGIGHQLGKCT-PWSUYJOCSA-N 1 0 298.349 2.366 10 0 CEAERO Nc1ccc2cc(C[NH+]3CCC(O)CC3)ccc2c1 ZINC000090715629 180029188 /nfs/dbraw/zinc/02/91/88/180029188.db2.gz GEBIDLYXGZLTOJ-UHFFFAOYSA-N 1 0 256.349 2.379 10 0 CEAERO CC(C)[NH2+]C[C@@H]1CCCN1c1ncncc1Br ZINC000090782583 180039387 /nfs/dbraw/zinc/03/93/87/180039387.db2.gz MIGUNJKVANDETR-JTQLQIEISA-N 1 0 299.216 2.206 10 0 CEAERO [NH3+]Cc1nc(-c2nc([C@H]3Cc4ccccc43)no2)cs1 ZINC000090933580 180066782 /nfs/dbraw/zinc/06/67/82/180066782.db2.gz RKXSILDYEJLLSN-JTQLQIEISA-N 1 0 284.344 2.340 10 0 CEAERO COc1ncnc(N[C@@H](C)c2ccc(C[NH3+])cc2)c1C ZINC000090788696 180041205 /nfs/dbraw/zinc/04/12/05/180041205.db2.gz XOIBCBSRUDHPKN-NSHDSACASA-N 1 0 272.352 2.425 10 0 CEAERO CCOc1cc(OCC2([NH3+])CCCCC2)nc(C)n1 ZINC000090788092 180041391 /nfs/dbraw/zinc/04/13/91/180041391.db2.gz JCZGHFOUJAZSMS-UHFFFAOYSA-N 1 0 265.357 2.224 10 0 CEAERO CCOc1cc(NC[C@H]2CCCC[C@H]2[NH3+])nc(C)n1 ZINC000090788416 180041618 /nfs/dbraw/zinc/04/16/18/180041618.db2.gz AFBYOMYFFZRQQV-VXGBXAGGSA-N 1 0 264.373 2.113 10 0 CEAERO CCOc1ncnc(OCC[C@@H]2CCCC[NH2+]2)c1C ZINC000090789827 180041779 /nfs/dbraw/zinc/04/17/79/180041779.db2.gz PWNWERQPJFRPTC-LBPRGKRZSA-N 1 0 265.357 2.095 10 0 CEAERO COc1ncnc(NC[C@H](C)[NH+]2CCCCC2)c1C ZINC000090790862 180041966 /nfs/dbraw/zinc/04/19/66/180041966.db2.gz VAUBKKJBBNVNQZ-NSHDSACASA-N 1 0 264.373 2.080 10 0 CEAERO COc1ncnc(NC[C@@H](C)[NH+]2CCCCC2)c1C ZINC000090790861 180042220 /nfs/dbraw/zinc/04/22/20/180042220.db2.gz VAUBKKJBBNVNQZ-LLVKDONJSA-N 1 0 264.373 2.080 10 0 CEAERO CCOc1ncnc(N[C@H](C)C[NH+]2CCCC2)c1C ZINC000090791029 180042504 /nfs/dbraw/zinc/04/25/04/180042504.db2.gz FPWIYMYCAHVRCN-LLVKDONJSA-N 1 0 264.373 2.080 10 0 CEAERO COc1cccc(OC)c1O[C@H]1C[C@H]([NH3+])C1(C)C ZINC000090839364 180043283 /nfs/dbraw/zinc/04/32/83/180043283.db2.gz MROVKAWQRMEXLO-RYUDHWBXSA-N 1 0 251.326 2.208 10 0 CEAERO CC[NH2+][C@@H]1C[C@H](OC[C@@H]2CCCO2)C12CCCC2 ZINC000090856665 180047128 /nfs/dbraw/zinc/04/71/28/180047128.db2.gz IAPLMADBEVZNNZ-MJBXVCDLSA-N 1 0 253.386 2.493 10 0 CEAERO CCC1(CC)[C@H](Oc2ccc(S(C)(=O)=O)cc2)C[C@@H]1[NH3+] ZINC000090861990 180047404 /nfs/dbraw/zinc/04/74/04/180047404.db2.gz OUEMVTFGNWPLNY-UONOGXRCSA-N 1 0 297.420 2.375 10 0 CEAERO Cc1nn(C)c(C)c1O[C@@H]1C[C@@H]([NH3+])C12CCCCC2 ZINC000090865719 180047645 /nfs/dbraw/zinc/04/76/45/180047645.db2.gz HKWNMONCYOACNL-CHWSQXEVSA-N 1 0 263.385 2.466 10 0 CEAERO CCC1(CC)[C@H](Oc2c(C)nn(C)c2C)C[C@@H]1[NH3+] ZINC000090865716 180047705 /nfs/dbraw/zinc/04/77/05/180047705.db2.gz XBQIFLMVRLYCSF-NWDGAFQWSA-N 1 0 251.374 2.322 10 0 CEAERO CC[C@H](C)NC(=O)CSc1cccc(C[NH3+])c1 ZINC000090870526 180049134 /nfs/dbraw/zinc/04/91/34/180049134.db2.gz MJIMNZRMQRCNPQ-JTQLQIEISA-N 1 0 252.383 2.152 10 0 CEAERO CC[NH2+]Cc1cccc(S[C@H]2CCOC2=O)c1 ZINC000090871220 180049201 /nfs/dbraw/zinc/04/92/01/180049201.db2.gz GMMDVTMEEQBJTL-LBPRGKRZSA-N 1 0 251.351 2.204 10 0 CEAERO CN(C[C@@H]1Cc2ccccc2O1)c1cc[nH+]cc1N ZINC000090875428 180050697 /nfs/dbraw/zinc/05/06/97/180050697.db2.gz QXJUBYDRLWABNW-LBPRGKRZSA-N 1 0 255.321 2.104 10 0 CEAERO CCC[NH2+]C[C@@H]1CCCN1C[C@@H]1Cc2ccccc2O1 ZINC000090875356 180050805 /nfs/dbraw/zinc/05/08/05/180050805.db2.gz CPTDFBDMZHUYJY-HOTGVXAUSA-N 1 0 274.408 2.454 10 0 CEAERO NC(=S)CC[N@H+](C[C@H]1Cc2ccccc2O1)C1CC1 ZINC000090874938 180050953 /nfs/dbraw/zinc/05/09/53/180050953.db2.gz KDZGOGRZPMJMMV-CYBMUJFWSA-N 1 0 276.405 2.131 10 0 CEAERO CCN(CC)CC[NH2+]C[C@H]1Cc2cc(F)ccc2O1 ZINC000090891944 180053925 /nfs/dbraw/zinc/05/39/25/180053925.db2.gz ZBLXXVWGKTUIMP-CQSZACIVSA-N 1 0 266.360 2.061 10 0 CEAERO CC[NH2+]CCN(CC)C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893485 180054809 /nfs/dbraw/zinc/05/48/09/180054809.db2.gz IYRHZRFRUHRDNY-AWEZNQCLSA-N 1 0 266.360 2.061 10 0 CEAERO CC[NH2+]C[C@@H]1CCCN(C[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090893527 180055365 /nfs/dbraw/zinc/05/53/65/180055365.db2.gz DBYUWMGQAZEMAV-BBRMVZONSA-N 1 0 292.398 2.451 10 0 CEAERO CC[NH2+]Cc1ccn(C[C@@H]2Cc3cc(F)ccc3O2)n1 ZINC000090895619 180056417 /nfs/dbraw/zinc/05/64/17/180056417.db2.gz XILXNRMMZBGGDW-AWEZNQCLSA-N 1 0 275.327 2.135 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[NH2+][C@H](C)Cn1ccnc1)O2 ZINC000090897656 180056961 /nfs/dbraw/zinc/05/69/61/180056961.db2.gz IAIOLDDDXOLUDB-UKRRQHHQSA-N 1 0 271.364 2.173 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[NH2+][C@H](CN(C)C)C(C)C)O2 ZINC000090897650 180057398 /nfs/dbraw/zinc/05/73/98/180057398.db2.gz NCSUGWIGIJOFGI-HZPDHXFCSA-N 1 0 276.424 2.474 10 0 CEAERO CC[NH2+]C[C@H]1CCCN1C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090898954 180058296 /nfs/dbraw/zinc/05/82/96/180058296.db2.gz HQJKYATUJKQQSJ-CVEARBPZSA-N 1 0 274.408 2.372 10 0 CEAERO [NH3+]Cc1nc(-c2nncn2C2CCCCC2)cs1 ZINC000090934588 180067232 /nfs/dbraw/zinc/06/72/32/180067232.db2.gz JXDRHVWJILOLCX-UHFFFAOYSA-N 1 0 263.370 2.366 10 0 CEAERO CC[N@H+](CCC(N)=S)C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090898414 180058505 /nfs/dbraw/zinc/05/85/05/180058505.db2.gz MGGOEMSIBJEKTH-ZDUSSCGKSA-N 1 0 278.421 2.297 10 0 CEAERO CCC[N@H+](CCO)C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090900949 180058586 /nfs/dbraw/zinc/05/85/86/180058586.db2.gz GQZZATUHWSARNV-ZDUSSCGKSA-N 1 0 269.772 2.348 10 0 CEAERO Cc1nn(C[C@@H]2Cc3cc(C)ccc3O2)c(C)c1C[NH3+] ZINC000090900408 180059397 /nfs/dbraw/zinc/05/93/97/180059397.db2.gz FSCSRGHCGXRTOB-AWEZNQCLSA-N 1 0 271.364 2.271 10 0 CEAERO Cc1ccc2c(c1)C[C@H](CN1CC[NH2+][C@@](C)(C3CC3)C1)O2 ZINC000090902439 180060386 /nfs/dbraw/zinc/06/03/86/180060386.db2.gz OESTWPZYQMHRJP-SJLPKXTDSA-N 1 0 286.419 2.372 10 0 CEAERO O=C(CCN1C[C@H]2CC[C@@H](C1)O2)c1cccc(F)c1 ZINC000090907420 180061417 /nfs/dbraw/zinc/06/14/17/180061417.db2.gz WPEVOTPKIMRRCV-OKILXGFUSA-N 1 0 263.312 2.262 10 0 CEAERO CCC(CC)(C[NH2+]C1CC1)CN1C[C@H]2CC[C@@H](C1)O2 ZINC000090907505 180061784 /nfs/dbraw/zinc/06/17/84/180061784.db2.gz VJSVGJMWWVTYHQ-GASCZTMLSA-N 1 0 266.429 2.408 10 0 CEAERO Cc1nc(N2C[C@H]3CC[C@@H](C2)O3)sc1C[NH2+]C(C)C ZINC000090908187 180061817 /nfs/dbraw/zinc/06/18/17/180061817.db2.gz RDQXBTFDQANBFX-TXEJJXNPSA-N 1 0 281.425 2.317 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000090960130 180075729 /nfs/dbraw/zinc/07/57/29/180075729.db2.gz JWCIYKIVCMYMMX-GHMZBOCLSA-N 1 0 268.382 2.100 10 0 CEAERO Nc1ccccc1C[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000090962280 180076015 /nfs/dbraw/zinc/07/60/15/180076015.db2.gz LEKCUIQXHSALDK-AWEZNQCLSA-N 1 0 254.333 2.362 10 0 CEAERO CC(=O)Nc1ccccc1C[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000090962100 180076070 /nfs/dbraw/zinc/07/60/70/180076070.db2.gz VZQWXKOUEIYILK-UONOGXRCSA-N 1 0 262.353 2.038 10 0 CEAERO C[C@H]1CCC[C@@](O)(C[NH2+]Cc2sccc2N)C1 ZINC000090960851 180076227 /nfs/dbraw/zinc/07/62/27/180076227.db2.gz ZHXREQPGCNPLAS-GWCFXTLKSA-N 1 0 254.399 2.361 10 0 CEAERO CCOC(=O)C1CCC([NH2+]Cc2ccccc2N)CC1 ZINC000090962267 180076321 /nfs/dbraw/zinc/07/63/21/180076321.db2.gz WDAOBLSTTSBBKG-UHFFFAOYSA-N 1 0 276.380 2.480 10 0 CEAERO CO[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1NC(C)=O ZINC000090962517 180076763 /nfs/dbraw/zinc/07/67/63/180076763.db2.gz KOMPPPUQJDVTDZ-CABCVRRESA-N 1 0 262.353 2.302 10 0 CEAERO NC(=S)CC[N@H+](C[C@@H]1Cc2ccccc21)C1CC1 ZINC000090977059 180078868 /nfs/dbraw/zinc/07/88/68/180078868.db2.gz CSZRFPUCJGGNRJ-LBPRGKRZSA-N 1 0 260.406 2.467 10 0 CEAERO [NH3+]CCOc1ccc(NC(=O)[C@@H]2Cc3ccccc32)cc1 ZINC000090982582 180079599 /nfs/dbraw/zinc/07/95/99/180079599.db2.gz XAYCQNCAMTXYCE-MRXNPFEDSA-N 1 0 282.343 2.303 10 0 CEAERO [NH3+]Cc1ccc(CC(=O)NC[C@H]2Cc3ccccc32)cc1 ZINC000090992107 180081581 /nfs/dbraw/zinc/08/15/81/180081581.db2.gz DTDAUYMUUWAODA-MRXNPFEDSA-N 1 0 280.371 2.144 10 0 CEAERO C[NH2+]Cc1cn(CCn2ccnc2)c2ccccc12 ZINC000090995344 180082884 /nfs/dbraw/zinc/08/28/84/180082884.db2.gz PCBHVKSFSMISSE-UHFFFAOYSA-N 1 0 254.337 2.257 10 0 CEAERO Cc1nn(Cc2cncn2C)c(C)c1C[NH2+]CC(C)C ZINC000091002316 180083722 /nfs/dbraw/zinc/08/37/22/180083722.db2.gz RRLIACZSSIBMDJ-UHFFFAOYSA-N 1 0 275.400 2.027 10 0 CEAERO C[NH2+]Cc1ccn(Cc2ccn(-c3ccccc3)n2)c1 ZINC000091003019 180083941 /nfs/dbraw/zinc/08/39/41/180083941.db2.gz DAVDRKMSQYQJKK-UHFFFAOYSA-N 1 0 266.348 2.442 10 0 CEAERO CCS(=O)(=O)CCCn1cccc1C[NH2+]CC(C)C ZINC000091001999 180084048 /nfs/dbraw/zinc/08/40/48/180084048.db2.gz BWLDHZAMYIBTHW-UHFFFAOYSA-N 1 0 286.441 2.059 10 0 CEAERO COc1ccccc1OCCn1ccc(C[C@@H](C)[NH3+])c1 ZINC000091006080 180084526 /nfs/dbraw/zinc/08/45/26/180084526.db2.gz ATHMFKGKOJNHEB-CYBMUJFWSA-N 1 0 274.364 2.465 10 0 CEAERO CC[C@H]([NH3+])Cc1ccn(Cc2ncnn2CC(C)C)c1 ZINC000091006337 180084810 /nfs/dbraw/zinc/08/48/10/180084810.db2.gz LIJXRMFUYZETLN-AWEZNQCLSA-N 1 0 275.400 2.064 10 0 CEAERO CC1CCN(CC[NH2+]Cc2c[nH]c3ncccc23)CC1 ZINC000091017542 180087131 /nfs/dbraw/zinc/08/71/31/180087131.db2.gz KDUFXXXZAZHFLM-UHFFFAOYSA-N 1 0 272.396 2.384 10 0 CEAERO c1[nH]c2ncccc2c1C[NH2+]CCc1ccncc1 ZINC000091017078 180087237 /nfs/dbraw/zinc/08/72/37/180087237.db2.gz IWDCJEDXVKIMDM-UHFFFAOYSA-N 1 0 252.321 2.290 10 0 CEAERO COc1cc(C[NH2+]Cc2c[nH]c3ncccc23)ccn1 ZINC000091018352 180087377 /nfs/dbraw/zinc/08/73/77/180087377.db2.gz MIOQUTLKEWHZGY-UHFFFAOYSA-N 1 0 268.320 2.256 10 0 CEAERO [NH3+]Cc1cn(Cc2nccn2C(F)F)c2ncccc12 ZINC000091019209 180087737 /nfs/dbraw/zinc/08/77/37/180087737.db2.gz ZFMIMFGHYFUAEO-UHFFFAOYSA-N 1 0 277.278 2.135 10 0 CEAERO CC(C)NC(=O)Cn1cc(C[NH2+]C(C)C)c2cccnc21 ZINC000091020486 180087838 /nfs/dbraw/zinc/08/78/38/180087838.db2.gz HMMHHYAZVPXTHH-UHFFFAOYSA-N 1 0 288.395 2.059 10 0 CEAERO C[NH2+]Cc1cn(Cc2nccn2C(F)F)c2ncccc12 ZINC000091019788 180088004 /nfs/dbraw/zinc/08/80/04/180088004.db2.gz RIGPFIIOQOGPKJ-UHFFFAOYSA-N 1 0 291.305 2.396 10 0 CEAERO CC(C)[NH2+]Cc1cn(CCn2cccn2)c2ncccc12 ZINC000091020461 180088234 /nfs/dbraw/zinc/08/82/34/180088234.db2.gz LTJUXQGXIVHCIY-UHFFFAOYSA-N 1 0 283.379 2.431 10 0 CEAERO C[C@H]([NH3+])Cc1cn(CC2CCOCC2)c2ncccc12 ZINC000091021800 180088540 /nfs/dbraw/zinc/08/85/40/180088540.db2.gz CWNUQYMIPVJJDK-LBPRGKRZSA-N 1 0 273.380 2.353 10 0 CEAERO CCn1cc(Cn2cc(C[C@H](C)[NH3+])c3cccnc32)cn1 ZINC000091021759 180088892 /nfs/dbraw/zinc/08/88/92/180088892.db2.gz OBFFVDSELXAMNK-LBPRGKRZSA-N 1 0 283.379 2.191 10 0 CEAERO CCn1cccc1C[NH2+]CCNC(=O)c1ccc(C)cc1 ZINC000091025750 180089349 /nfs/dbraw/zinc/08/93/49/180089349.db2.gz DUSQXZCJKBKNTP-UHFFFAOYSA-N 1 0 285.391 2.336 10 0 CEAERO CC(C)C[C@H](C)OC(=O)c1csc(CC[NH3+])n1 ZINC000090939586 180067941 /nfs/dbraw/zinc/06/79/41/180067941.db2.gz ROFACJZFOMYUIF-VIFPVBQESA-N 1 0 256.371 2.236 10 0 CEAERO [NH3+]CCc1nc(-c2nc(C3CCCC3)no2)cs1 ZINC000090938750 180068024 /nfs/dbraw/zinc/06/80/24/180068024.db2.gz JXNLTQHRGNWGDD-UHFFFAOYSA-N 1 0 264.354 2.352 10 0 CEAERO Cc1ccc(F)c(NC(=O)c2csc(CC[NH3+])n2)c1 ZINC000090946527 180070226 /nfs/dbraw/zinc/07/02/26/180070226.db2.gz LLYRXQQLIKACDS-UHFFFAOYSA-N 1 0 279.340 2.344 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)c2csc(CC[NH3+])n2)o1 ZINC000090948096 180070847 /nfs/dbraw/zinc/07/08/47/180070847.db2.gz QQIOJLACVHUHKE-SECBINFHSA-N 1 0 279.365 2.037 10 0 CEAERO C[C@@](O)(COCc1ccccc1)[C@]1(C[NH3+])CC1(C)C ZINC000669377928 539760815 /nfs/dbraw/zinc/76/08/15/539760815.db2.gz ZPSBUIUHCPTYMY-CVEARBPZSA-N 1 0 263.381 2.329 10 0 CEAERO C[C@](O)(COCc1ccccc1)[C@@]1(C[NH3+])CC1(C)C ZINC000669377938 539760937 /nfs/dbraw/zinc/76/09/37/539760937.db2.gz ZPSBUIUHCPTYMY-JKSUJKDBSA-N 1 0 263.381 2.329 10 0 CEAERO CC1(C)C[C@]1(C[NH3+])C1(O)CC(OCc2ccccc2)C1 ZINC000669377317 539760181 /nfs/dbraw/zinc/76/01/81/539760181.db2.gz MHCNZQHFEJEHJZ-ARWYELJZSA-N 1 0 275.392 2.472 10 0 CEAERO CCCNC(=O)C[C@H](C[NH3+])N(Cc1cccs1)C(C)C ZINC000091317320 180133754 /nfs/dbraw/zinc/13/37/54/180133754.db2.gz DLTRFZWNNWIWQC-CYBMUJFWSA-N 1 0 297.468 2.202 10 0 CEAERO CCNC(=O)C[C@@H](C[NH3+])N(C)[C@@H](C)c1ccccc1Cl ZINC000091316430 180133804 /nfs/dbraw/zinc/13/38/04/180133804.db2.gz CJFCAKQCWKTCPS-RYUDHWBXSA-N 1 0 297.830 2.186 10 0 CEAERO CC1CCC([N@H+](C)[C@@H](CN)CC(=O)NC(C)(C)C)CC1 ZINC000091321240 180134403 /nfs/dbraw/zinc/13/44/03/180134403.db2.gz MESJPHVMLJVEIP-JXQTWKCFSA-N 1 0 283.460 2.129 10 0 CEAERO CC(C)(C)NC(=O)C[C@@H](C[NH3+])Nc1ccccc1Cl ZINC000091321814 180134582 /nfs/dbraw/zinc/13/45/82/180134582.db2.gz MOZZKOHJEJBYSS-JTQLQIEISA-N 1 0 283.803 2.384 10 0 CEAERO CCCCC[N@H+](C(C)C)[C@@H](CN)CC(=O)N(CC)CC ZINC000091322819 180134632 /nfs/dbraw/zinc/13/46/32/180134632.db2.gz DEQYOCWUGMFXEL-OAHLLOKOSA-N 1 0 285.476 2.473 10 0 CEAERO CCC(CC)C[N@H+](CC)[C@H](CN)CC(=O)N(CC)CC ZINC000091322770 180134761 /nfs/dbraw/zinc/13/47/61/180134761.db2.gz GOHHGHFSYHHWGT-HNNXBMFYSA-N 1 0 285.476 2.330 10 0 CEAERO COc1ccccc1C[C@@H](C)N(C)C(=O)C[NH2+]C(C)(C)C ZINC000091326402 180135359 /nfs/dbraw/zinc/13/53/59/180135359.db2.gz OCUHNSLXCZAYSG-CYBMUJFWSA-N 1 0 292.423 2.473 10 0 CEAERO C[N@H+](CC1CCCCC1)[C@@H](CN)CC(=O)N1CCCCC1 ZINC000091325297 180135402 /nfs/dbraw/zinc/13/54/02/180135402.db2.gz KLAVJESMEAAGMN-MRXNPFEDSA-N 1 0 295.471 2.228 10 0 CEAERO [NH3+]Cc1cnn(Cc2cccc(F)c2)c1C(F)F ZINC000091339079 180136221 /nfs/dbraw/zinc/13/62/21/180136221.db2.gz BDCCYRLBKZKYRW-UHFFFAOYSA-N 1 0 255.243 2.467 10 0 CEAERO COCC[NH2+]Cc1cnn(CC(C)C)c1C(C)C ZINC000091336490 180136457 /nfs/dbraw/zinc/13/64/57/180136457.db2.gz MFHZRQYCQNNQDN-UHFFFAOYSA-N 1 0 253.390 2.399 10 0 CEAERO O=C(Nc1cccnc1)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000091358703 180140398 /nfs/dbraw/zinc/14/03/98/180140398.db2.gz VEGBSDIXDWROMJ-XBFCOCLRSA-N 1 0 259.353 2.331 10 0 CEAERO Cc1csc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)n1 ZINC000091360254 180140961 /nfs/dbraw/zinc/14/09/61/180140961.db2.gz IWAKFOOBBZOLPY-AVGNSLFASA-N 1 0 293.436 2.379 10 0 CEAERO CC1(C)C[C@@H]1NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091360898 180141224 /nfs/dbraw/zinc/14/12/24/180141224.db2.gz HIUHMDPBSXGYDF-CYDGBPFRSA-N 1 0 250.386 2.212 10 0 CEAERO COc1ccc(OC)c([C@@H]([NH3+])CSC[C@@H](C)CO)c1 ZINC000091261623 180116050 /nfs/dbraw/zinc/11/60/50/180116050.db2.gz URUVTHDCQMBBPH-GWCFXTLKSA-N 1 0 285.409 2.065 10 0 CEAERO C[C@H](CCO)Sc1c(C(N)=[NH2+])cnc2ccccc21 ZINC000091264007 180116563 /nfs/dbraw/zinc/11/65/63/180116563.db2.gz UQEOKJUCHIZZSL-SECBINFHSA-N 1 0 275.377 2.382 10 0 CEAERO CC(C)n1cncc1[C@H](O)[C@H]1[NH2+]Cc2ccccc21 ZINC000091273625 180117897 /nfs/dbraw/zinc/11/78/97/180117897.db2.gz MIWOIMMUMNCNIQ-GJZGRUSLSA-N 1 0 257.337 2.342 10 0 CEAERO CC(C)n1cncc1CN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000091273048 180118221 /nfs/dbraw/zinc/11/82/21/180118221.db2.gz FKMKFOKVMQXRQM-CHWSQXEVSA-N 1 0 250.390 2.023 10 0 CEAERO CC1CC[NH+](CCCNCc2cncn2C2CC2)CC1 ZINC000091274381 180118878 /nfs/dbraw/zinc/11/88/78/180118878.db2.gz PBLGZNRMRNVCTH-UHFFFAOYSA-N 1 0 276.428 2.430 10 0 CEAERO CCN(Cc1ccco1)[C@H](C[NH3+])c1cncn1C1CC1 ZINC000091276334 180119641 /nfs/dbraw/zinc/11/96/41/180119641.db2.gz MLXAWPICRIJVJF-CQSZACIVSA-N 1 0 274.368 2.333 10 0 CEAERO CC1(C)CCCN([C@@H](C[NH3+])c2cncn2C2CC2)C1 ZINC000091276591 180120051 /nfs/dbraw/zinc/12/00/51/180120051.db2.gz SEGJXHUIWXCDKI-ZDUSSCGKSA-N 1 0 262.401 2.340 10 0 CEAERO [NH3+]C[C@H](c1cncn1C1CC1)N(CC1CC1)C1CC1 ZINC000091276606 180120265 /nfs/dbraw/zinc/12/02/65/180120265.db2.gz YVIQWCDQQIDCDX-CQSZACIVSA-N 1 0 260.385 2.092 10 0 CEAERO O[C@@H]1CC[C@@H]2C[N@H+](CCOCC3CCCC3)C[C@H]2C1 ZINC000412052785 233325090 /nfs/dbraw/zinc/32/50/90/233325090.db2.gz YKXGOLXQQQHHTM-BZUAXINKSA-N 1 0 267.413 2.286 10 0 CEAERO CC[C@H](NCC[C@@H]1CSCC[NH2+]1)c1nccs1 ZINC000091292340 180123590 /nfs/dbraw/zinc/12/35/90/180123590.db2.gz YHLADYMMMHYWOX-MNOVXSKESA-N 1 0 271.455 2.279 10 0 CEAERO CCc1cccc(CC)c1NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000091298916 180125334 /nfs/dbraw/zinc/12/53/34/180125334.db2.gz JZAHGEPTKYSKAQ-CQSZACIVSA-N 1 0 276.380 2.128 10 0 CEAERO CC(C)[C@H](NC(=O)C[C@@H]1C[NH2+]CCO1)c1ccc(F)cc1 ZINC000091299868 180127006 /nfs/dbraw/zinc/12/70/06/180127006.db2.gz PQBIKTHZUMGLNK-ZBFHGGJFSA-N 1 0 294.370 2.018 10 0 CEAERO CCCNc1ncccc1C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000091428625 180152964 /nfs/dbraw/zinc/15/29/64/180152964.db2.gz QGZZRINLKHUIEB-CYBMUJFWSA-N 1 0 290.411 2.070 10 0 CEAERO COc1ccc([C@@H](C)O)cc1CN1CCC[C@H]([NH+](C)C)C1 ZINC000091430640 180153788 /nfs/dbraw/zinc/15/37/88/180153788.db2.gz HPHVURFLNSKFLP-CJNGLKHVSA-N 1 0 292.423 2.275 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(Cl)n1 ZINC000091439546 180155987 /nfs/dbraw/zinc/15/59/87/180155987.db2.gz VGBKJEXMSUOCBC-DGCLKSJQSA-N 1 0 265.788 2.404 10 0 CEAERO [NH3+][C@H]1CCCCC[C@@H]1NC(=O)c1ccncc1Cl ZINC000091456930 180160265 /nfs/dbraw/zinc/16/02/65/180160265.db2.gz HKCUORFTTNAORE-RYUDHWBXSA-N 1 0 267.760 2.125 10 0 CEAERO C[C@H]([NH3+])[C@H](c1ccc(Cl)cc1)N(C)CC1CC(O)C1 ZINC000091461016 180161268 /nfs/dbraw/zinc/16/12/68/180161268.db2.gz JDPKNEFDXHGJDJ-KCVDBAPCSA-N 1 0 282.815 2.431 10 0 CEAERO C[NH2+][C@H](C)c1cc(F)ccc1N(C)CC1CC(O)C1 ZINC000091459877 180161282 /nfs/dbraw/zinc/16/12/82/180161282.db2.gz GPUUPGJOHSTGSC-XSRFYTQQSA-N 1 0 266.360 2.313 10 0 CEAERO C[NH2+]CC[C@](C)(O)Cc1ccn(C2CCCCC2)n1 ZINC000091464968 180162862 /nfs/dbraw/zinc/16/28/62/180162862.db2.gz AGJIMFWWESARMX-HNNXBMFYSA-N 1 0 265.401 2.291 10 0 CEAERO C[NH2+]CC[C@](C)(O)c1cccc(OC(F)(F)F)c1 ZINC000091464668 180163104 /nfs/dbraw/zinc/16/31/04/180163104.db2.gz WGQKMLRDNHSSPU-NSHDSACASA-N 1 0 263.259 2.402 10 0 CEAERO CCC[NH2+]CC[C@@](C)(O)Cc1ccn(C(C)C)n1 ZINC000091464770 180163268 /nfs/dbraw/zinc/16/32/68/180163268.db2.gz QGNARUMRGMYUKI-CQSZACIVSA-N 1 0 253.390 2.147 10 0 CEAERO COCC[NH2+]C[C@H](O)Cc1cc(Cl)ccc1Cl ZINC000091467882 180164126 /nfs/dbraw/zinc/16/41/26/180164126.db2.gz CARIWXALULUWOR-LLVKDONJSA-N 1 0 278.179 2.133 10 0 CEAERO CCn1nc(C[C@H](O)C[NH2+]CC(C)C)c2ccccc21 ZINC000091468027 180164371 /nfs/dbraw/zinc/16/43/71/180164371.db2.gz HWIXZCGZKYEAMQ-ZDUSSCGKSA-N 1 0 275.396 2.205 10 0 CEAERO CC1(C)C(C(=O)N(CC[NH3+])C2CCCC2)C1(C)C ZINC000091481507 180166650 /nfs/dbraw/zinc/16/66/50/180166650.db2.gz FRDLJHCBRPLAJN-UHFFFAOYSA-N 1 0 252.402 2.399 10 0 CEAERO C[N@H+](CCOc1cccc(Cl)c1)CC1CC(O)C1 ZINC000091490269 180169504 /nfs/dbraw/zinc/16/95/04/180169504.db2.gz WKTJBIUZYXYUAE-UHFFFAOYSA-N 1 0 269.772 2.422 10 0 CEAERO Cc1ncccc1NC(=O)c1cccc(CC[NH3+])c1 ZINC000091495117 180171186 /nfs/dbraw/zinc/17/11/86/180171186.db2.gz MJGXCHMYEJFQPM-UHFFFAOYSA-N 1 0 255.321 2.144 10 0 CEAERO C[N@@H+](Cc1cc(Cl)cc2c1OCOC2)CC1CC(O)C1 ZINC000091499140 180173703 /nfs/dbraw/zinc/17/37/03/180173703.db2.gz KUWUXDCPTMXSKF-UHFFFAOYSA-N 1 0 297.782 2.409 10 0 CEAERO Cc1cccnc1C[C@@H]([NH3+])c1cccc2c1OCCO2 ZINC000091383921 180144331 /nfs/dbraw/zinc/14/43/31/180144331.db2.gz MJSDMZWBAYKUPL-CYBMUJFWSA-N 1 0 270.332 2.404 10 0 CEAERO C1CO[C@H](c2nc3c(s2)CCCCCC3)C[NH2+]1 ZINC000091501555 180175331 /nfs/dbraw/zinc/17/53/31/180175331.db2.gz LGWCCFLUNZALLI-NSHDSACASA-N 1 0 252.383 2.463 10 0 CEAERO c1ccc2c(c1)CCN2c1cncc(C[NH2+]C2CC2)n1 ZINC000091418802 180150203 /nfs/dbraw/zinc/15/02/03/180150203.db2.gz VOLHZRYCOMADOR-UHFFFAOYSA-N 1 0 266.348 2.423 10 0 CEAERO CCC(CC)N(CCOC)c1cncc(C[NH2+]C2CC2)n1 ZINC000091420833 180150955 /nfs/dbraw/zinc/15/09/55/180150955.db2.gz WARBSQOTUUFBIV-UHFFFAOYSA-N 1 0 292.427 2.370 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H]([NH+](C)C)C2)o1 ZINC000105087001 186041189 /nfs/dbraw/zinc/04/11/89/186041189.db2.gz WTDGMGVMLGARLE-OLZOCXBDSA-N 1 0 279.384 2.385 10 0 CEAERO CCn1cc([C@@H](N)C(C)(C)[NH+]2CCCCC2)cn1 ZINC000091564602 180193510 /nfs/dbraw/zinc/19/35/10/180193510.db2.gz NBQRADZHBUSKHA-CYBMUJFWSA-N 1 0 250.390 2.167 10 0 CEAERO Cc1cc([C@@H]([NH3+])C(C)(C)N2CCOCC2)cs1 ZINC000091566278 180193880 /nfs/dbraw/zinc/19/38/80/180193880.db2.gz MHYIWXIQUHNILN-GFCCVEGCSA-N 1 0 254.399 2.167 10 0 CEAERO CC(C)([C@@H]([NH3+])CCc1cccs1)N1CCOCC1 ZINC000091566190 180194150 /nfs/dbraw/zinc/19/41/50/180194150.db2.gz XBXUVRONPRBYKI-ZDUSSCGKSA-N 1 0 268.426 2.119 10 0 CEAERO C[NH2+][C@H](Cc1cccc(F)c1F)C(C)(C)N1CCOCC1 ZINC000091566457 180194180 /nfs/dbraw/zinc/19/41/80/180194180.db2.gz XHYYXXCCMOIWFI-CQSZACIVSA-N 1 0 298.377 2.206 10 0 CEAERO CC[C@@](C)(C(=O)Cc1c(Cl)c(C)nn1C)[NH+](C)C ZINC000091568856 180194648 /nfs/dbraw/zinc/19/46/48/180194648.db2.gz QUQOUVVZHZUXTA-ZDUSSCGKSA-N 1 0 271.792 2.224 10 0 CEAERO CCC[NH2+][C@@H](c1cccnc1)C(C)(C)N1CCOCC1 ZINC000091567120 180194807 /nfs/dbraw/zinc/19/48/07/180194807.db2.gz DVFDSDMBSJDGHI-HNNXBMFYSA-N 1 0 277.412 2.233 10 0 CEAERO CC[NH2+][C@@H](Cc1cccs1)C(C)(C)N1CCOCC1 ZINC000091566906 180195076 /nfs/dbraw/zinc/19/50/76/180195076.db2.gz HYLLQDSZASHFQF-AWEZNQCLSA-N 1 0 282.453 2.380 10 0 CEAERO C[NH2+][C@@H](c1cncnc1)C(C)(C)N1CCCCCC1 ZINC000091568155 180195090 /nfs/dbraw/zinc/19/50/90/180195090.db2.gz IWJSEKARGYABOS-AWEZNQCLSA-N 1 0 262.401 2.392 10 0 CEAERO CC[C@](C)([C@H](O)c1cc(OC)ccc1OC)[NH+](C)C ZINC000091569513 180195881 /nfs/dbraw/zinc/19/58/81/180195881.db2.gz IHRVHUGTKYQAFP-HUUCEWRRSA-N 1 0 267.369 2.468 10 0 CEAERO CCC[NH2+][C@@H](Cc1cnn(C)c1)[C@@](C)(CC)N(C)C ZINC000091571828 180196047 /nfs/dbraw/zinc/19/60/47/180196047.db2.gz RYQNXLZBRPELCL-LSDHHAIUSA-N 1 0 266.433 2.061 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@@H](O)Cc1ccnc(N)c1 ZINC000091572951 180196056 /nfs/dbraw/zinc/19/60/56/180196056.db2.gz UDXUWTCETQAENF-DZGCQCFKSA-N 1 0 265.401 2.078 10 0 CEAERO CCC[NH2+][C@@H](Cc1cc(C)nn1C)[C@@](C)(CC)N(C)C ZINC000091572048 180196162 /nfs/dbraw/zinc/19/61/62/180196162.db2.gz FTWQNKQJQSYQHM-JKSUJKDBSA-N 1 0 280.460 2.370 10 0 CEAERO CCC[NH2+][C@@H](c1ccnn1C)[C@@](C)(CC)N(C)C ZINC000091572024 180196308 /nfs/dbraw/zinc/19/63/08/180196308.db2.gz KLWUJKJICBRNGH-UONOGXRCSA-N 1 0 252.406 2.191 10 0 CEAERO CCCn1ncnc1C[C@@H]([NH2+]C)[C@](C)(CC)N1CCCC1 ZINC000091606876 180204029 /nfs/dbraw/zinc/20/40/29/180204029.db2.gz RYKOOCJYUZPBTO-ZBFHGGJFSA-N 1 0 293.459 2.083 10 0 CEAERO CCc1cc(C[C@H]([NH2+]C)[C@](C)(CC)N2CCCC2)n(C)n1 ZINC000091606597 180204273 /nfs/dbraw/zinc/20/42/73/180204273.db2.gz LILBJAHPFZFZCF-IRXDYDNUSA-N 1 0 292.471 2.378 10 0 CEAERO CCc1cc(C[C@@H]([NH2+]C)[C@@](C)(CC)N2CCCC2)n(C)n1 ZINC000091606595 180204468 /nfs/dbraw/zinc/20/44/68/180204468.db2.gz LILBJAHPFZFZCF-IAGOWNOFSA-N 1 0 292.471 2.378 10 0 CEAERO CC[C@@](C)([C@H](O)CCc1ccccc1)[NH+]1CCOCC1 ZINC000091610949 180205693 /nfs/dbraw/zinc/20/56/93/180205693.db2.gz UVLYZKJPVPQXTC-SJORKVTESA-N 1 0 277.408 2.481 10 0 CEAERO CC[C@@](C)([C@H]([NH3+])c1cc(F)ccc1F)N1CCOCC1 ZINC000091611585 180206224 /nfs/dbraw/zinc/20/62/24/180206224.db2.gz AZLZWSMYNZIUMA-CABCVRRESA-N 1 0 284.350 2.466 10 0 CEAERO CC[C@](C)([C@@H](O)Cc1ccccc1OC)[NH+]1CCOCC1 ZINC000091611348 180206708 /nfs/dbraw/zinc/20/67/08/180206708.db2.gz LOGCFUXMFIKLIY-DLBZAZTESA-N 1 0 293.407 2.100 10 0 CEAERO CC[NH2+][C@H](c1cncc(F)c1)[C@](C)(CC)N1CCOCC1 ZINC000091612993 180207249 /nfs/dbraw/zinc/20/72/49/180207249.db2.gz TYSWFQVWXKCIHR-CVEARBPZSA-N 1 0 295.402 2.372 10 0 CEAERO CC[NH+](CC)C(CC)(CC)[C@H](O)c1nccn1C ZINC000091615699 180207755 /nfs/dbraw/zinc/20/77/55/180207755.db2.gz WJENKJSIOLKTNM-GFCCVEGCSA-N 1 0 253.390 2.354 10 0 CEAERO CCC(CC)([C@H](O)c1cc(Cl)cnc1N)[NH+](C)C ZINC000091613531 180207778 /nfs/dbraw/zinc/20/77/78/180207778.db2.gz YJUNWUNTSGHPSA-LLVKDONJSA-N 1 0 271.792 2.471 10 0 CEAERO CC[NH+](CC)C(CC)(CC)[C@@H](N)c1cncnc1 ZINC000091615824 180207831 /nfs/dbraw/zinc/20/78/31/180207831.db2.gz BYJGALPHFOZWEU-ZDUSSCGKSA-N 1 0 250.390 2.377 10 0 CEAERO CC[NH2+][C@@H](Cc1cnn(C)c1)C(CC)(CC)N(C)C ZINC000091614701 180207876 /nfs/dbraw/zinc/20/78/76/180207876.db2.gz MNFFSOWMWQQFNU-AWEZNQCLSA-N 1 0 266.433 2.061 10 0 CEAERO CC[NH2+][C@H](c1cccnc1N)C(CC)(CC)N(C)C ZINC000091614936 180208093 /nfs/dbraw/zinc/20/80/93/180208093.db2.gz AVXXBFFYQJGHIF-CYBMUJFWSA-N 1 0 264.417 2.435 10 0 CEAERO Cc1nc(NC(=O)C[C@H]2CC[NH2+]C2)ccc1Br ZINC000091507193 180176179 /nfs/dbraw/zinc/17/61/79/180176179.db2.gz BQDATERIODKRCL-SECBINFHSA-N 1 0 298.184 2.091 10 0 CEAERO CC(C)n1c2cccc(F)c2nc1C[C@](C)(O)C[NH3+] ZINC000091504776 180176278 /nfs/dbraw/zinc/17/62/78/180176278.db2.gz BCMXJPMMBGNKET-AWEZNQCLSA-N 1 0 265.332 2.009 10 0 CEAERO COCC[NH2+]CC[C@@](C)(O)c1cccc(C)c1C ZINC000091521058 180178087 /nfs/dbraw/zinc/17/80/87/180178087.db2.gz QWRBTQLPRVGVJJ-OAHLLOKOSA-N 1 0 251.370 2.137 10 0 CEAERO CCC(CC)n1ccc(C[NH2+]CC2CC(O)C2)n1 ZINC000091524373 180178375 /nfs/dbraw/zinc/17/83/75/180178375.db2.gz HXTVBPBRDVKOQH-UHFFFAOYSA-N 1 0 251.374 2.105 10 0 CEAERO COCC[NH2+]CC[C@](C)(O)c1cncc2ccccc21 ZINC000091521890 180178436 /nfs/dbraw/zinc/17/84/36/180178436.db2.gz REJXAERRMSTRON-INIZCTEOSA-N 1 0 274.364 2.068 10 0 CEAERO CCc1cc(C[C@H]([NH2+]C)C(C)(C)N(CC)CC)n(C)n1 ZINC000091530902 180180415 /nfs/dbraw/zinc/18/04/15/180180415.db2.gz TXMWLCLFBZGGKL-HNNXBMFYSA-N 1 0 280.460 2.233 10 0 CEAERO CC[NH+](CC)C(C)(C)[C@H](O)Cc1csc(C)n1 ZINC000091530202 180180686 /nfs/dbraw/zinc/18/06/86/180180686.db2.gz KJPHMQXBEKAHPX-GFCCVEGCSA-N 1 0 256.415 2.475 10 0 CEAERO COc1cc(Cl)c(NC(=O)[C@H]2CC[C@H]([NH3+])C2)cc1OC ZINC000091541078 180183741 /nfs/dbraw/zinc/18/37/41/180183741.db2.gz LPXARQSWWZQWAW-IUCAKERBSA-N 1 0 298.770 2.423 10 0 CEAERO CC(C)n1ncc2cc(NC(=O)[C@@H]3CC[C@H]([NH3+])C3)cnc21 ZINC000091542443 180184157 /nfs/dbraw/zinc/18/41/57/180184157.db2.gz WIHPSBLGGUUMNH-PWSUYJOCSA-N 1 0 287.367 2.078 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)c1cccc(F)c1 ZINC000091543773 180185255 /nfs/dbraw/zinc/18/52/55/180185255.db2.gz FGHQTELFUIGRBF-XWIASGKRSA-N 1 0 250.317 2.130 10 0 CEAERO CC(=O)Nc1ccc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1Cl ZINC000091546624 180186972 /nfs/dbraw/zinc/18/69/72/180186972.db2.gz XDOVUQDDJUZNIO-ZJUUUORDSA-N 1 0 295.770 2.364 10 0 CEAERO [NH3+][C@H]1CC[C@@H](C(=O)NCCc2ccc(Cl)cc2)C1 ZINC000091546856 180187630 /nfs/dbraw/zinc/18/76/30/180187630.db2.gz QJNYRJYUXGTMES-YPMHNXCESA-N 1 0 266.772 2.126 10 0 CEAERO [NH3+][C@H]1CC[C@H](C(=O)N2CCC3(CCCC3)CC2)C1 ZINC000091549129 180187969 /nfs/dbraw/zinc/18/79/69/180187969.db2.gz QBIDAKVHWQCRKQ-STQMWFEESA-N 1 0 250.386 2.297 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2cc(F)c(F)cc2F)C1 ZINC000105048009 186038895 /nfs/dbraw/zinc/03/88/95/186038895.db2.gz XMEDDEMHRXIDPJ-QMMMGPOBSA-N 1 0 287.285 2.272 10 0 CEAERO O=C(NCCc1cccs1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105064478 186038997 /nfs/dbraw/zinc/03/89/97/186038997.db2.gz MCLYRERFKFMOLU-CYBMUJFWSA-N 1 0 293.436 2.170 10 0 CEAERO CCC(CC)([C@H](O)c1cccnc1N)[NH+]1CCCC1 ZINC000091634492 180210726 /nfs/dbraw/zinc/21/07/26/180210726.db2.gz PIQORMWWLCYKAV-CYBMUJFWSA-N 1 0 263.385 2.352 10 0 CEAERO CCC[NH2+][C@@H](c1cnccn1)C1(N(C)C)CCCC1 ZINC000091638291 180211926 /nfs/dbraw/zinc/21/19/26/180211926.db2.gz DIZXMMVDPINCPH-AWEZNQCLSA-N 1 0 262.401 2.392 10 0 CEAERO CCC[NH2+][C@H](c1cnccn1)C1(N(C)C)CCCC1 ZINC000091638292 180212048 /nfs/dbraw/zinc/21/20/48/180212048.db2.gz DIZXMMVDPINCPH-CQSZACIVSA-N 1 0 262.401 2.392 10 0 CEAERO CCC[NH2+][C@H](Cc1ccnc(N)c1)C1(N(C)C)CCCC1 ZINC000091638278 180212093 /nfs/dbraw/zinc/21/20/93/180212093.db2.gz WIJZHULWPYODJT-OAHLLOKOSA-N 1 0 290.455 2.449 10 0 CEAERO CCn1cc(C[C@H](N)C2([NH+](CC)CC)CCCC2)cn1 ZINC000091639162 180212311 /nfs/dbraw/zinc/21/23/11/180212311.db2.gz UAXRZKIPNUEBES-HNNXBMFYSA-N 1 0 278.444 2.427 10 0 CEAERO COc1ccccc1[C@H]([NH3+])C1(N2CCOCC2)CCCC1 ZINC000091642858 180213787 /nfs/dbraw/zinc/21/37/87/180213787.db2.gz QUIGVICLNSSZTG-INIZCTEOSA-N 1 0 290.407 2.340 10 0 CEAERO COc1cccc([C@@H](O)C2([NH+]3CCOCC3)CCCC2)c1 ZINC000091642586 180214191 /nfs/dbraw/zinc/21/41/91/180214191.db2.gz UKHXDTQIPVRETF-MRXNPFEDSA-N 1 0 291.391 2.374 10 0 CEAERO CCn1nc(C)cc1C[C@@H](O)C1([NH+](C)C)CCCCC1 ZINC000091646633 180215394 /nfs/dbraw/zinc/21/53/94/180215394.db2.gz KTFSYMSGBGUJSC-OAHLLOKOSA-N 1 0 279.428 2.379 10 0 CEAERO CC[NH2+][C@H](c1cnn(C)c1)C1(N(C)C)CCCCC1 ZINC000091647869 180215401 /nfs/dbraw/zinc/21/54/01/180215401.db2.gz MQUYEMTUFMSRRU-CQSZACIVSA-N 1 0 264.417 2.335 10 0 CEAERO CCCn1ncnc1CC(=O)[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000091650728 180216221 /nfs/dbraw/zinc/21/62/21/180216221.db2.gz IRZDYOOEUYNXPA-BBRMVZONSA-N 1 0 292.427 2.310 10 0 CEAERO C[NH2+][C@@H](c1cnccc1N)C1(N(C)C)CCC(C)CC1 ZINC000091649128 180216538 /nfs/dbraw/zinc/21/65/38/180216538.db2.gz CMMJCRFORLLMPN-NRAUKZCXSA-N 1 0 276.428 2.435 10 0 CEAERO CC1CCC([C@H](N)Cc2ccnc(N)c2)([NH+](C)C)CC1 ZINC000091648729 180216604 /nfs/dbraw/zinc/21/66/04/180216604.db2.gz FUYHZBPWNVQBSH-CXOJTPOUSA-N 1 0 276.428 2.044 10 0 CEAERO C[NH+](C)C1([C@H](O)c2cnccc2N)CCCCCC1 ZINC000091654013 180217004 /nfs/dbraw/zinc/21/70/04/180217004.db2.gz WZNKOQRCSYSIRW-CQSZACIVSA-N 1 0 263.385 2.352 10 0 CEAERO Cn1cc([C@@H](O)C2([NH+](C)C)CCCCCC2)cn1 ZINC000091653961 180217118 /nfs/dbraw/zinc/21/71/18/180217118.db2.gz NJTDKGANKJBZLM-CYBMUJFWSA-N 1 0 251.374 2.108 10 0 CEAERO Cc1cnc(Cl)nc1N[C@@H](C)C[NH+]1CCCC1 ZINC000091658459 180218524 /nfs/dbraw/zinc/21/85/24/180218524.db2.gz VITSEQDLIQKIDJ-JTQLQIEISA-N 1 0 254.765 2.335 10 0 CEAERO Cc1cnc(Cl)nc1OCC[C@@H]1CCC[N@H+]1C ZINC000091657823 180218815 /nfs/dbraw/zinc/21/88/15/180218815.db2.gz GGXVOTJTJCHICK-JTQLQIEISA-N 1 0 255.749 2.302 10 0 CEAERO Cc1cnc(Cl)nc1OC[C@H]1CCCC[N@H+]1C ZINC000091657925 180218919 /nfs/dbraw/zinc/21/89/19/180218919.db2.gz AXTSYRVZSZZAMV-SNVBAGLBSA-N 1 0 255.749 2.302 10 0 CEAERO CCOC(=O)CCC[NH2+][C@@H]1CCCc2cccnc21 ZINC000091661775 180219708 /nfs/dbraw/zinc/21/97/08/180219708.db2.gz AGWLKQGKBLNIKA-CYBMUJFWSA-N 1 0 262.353 2.392 10 0 CEAERO Cc1cccc2c1OCCC[C@@H]2[NH2+]C[C@@H]1CN(C)CCO1 ZINC000091667510 180223339 /nfs/dbraw/zinc/22/33/39/180223339.db2.gz WUCUXCJSTIZJJT-ZBFHGGJFSA-N 1 0 290.407 2.129 10 0 CEAERO Cc1nc(Cl)c(C)c(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000091677195 180225526 /nfs/dbraw/zinc/22/55/26/180225526.db2.gz VJBGBPGVBVHYRL-VXGBXAGGSA-N 1 0 296.802 2.022 10 0 CEAERO CCCN[C@@H](CC[NH+](CC)CC)c1cccnc1N ZINC000091717020 180232381 /nfs/dbraw/zinc/23/23/81/180232381.db2.gz MDWLIPFXHLDSEG-AWEZNQCLSA-N 1 0 264.417 2.436 10 0 CEAERO CC[NH2+][C@H](Cc1ccc(CC)cc1)[C@@H]1CN(C)CCO1 ZINC000091718283 180233283 /nfs/dbraw/zinc/23/32/83/180233283.db2.gz VUYLELVVFYYEBW-SJORKVTESA-N 1 0 276.424 2.100 10 0 CEAERO CC[NH2+][C@@H](Cc1ccc(C)c(C)c1)[C@H]1CN(C)CCO1 ZINC000091718596 180233701 /nfs/dbraw/zinc/23/37/01/180233701.db2.gz NLSHBZYLNZMFIV-DLBZAZTESA-N 1 0 276.424 2.155 10 0 CEAERO CC[NH2+][C@@H](c1cnc2ccccc2c1)[C@H]1CN(C)CCO1 ZINC000091718668 180233726 /nfs/dbraw/zinc/23/37/26/180233726.db2.gz IUVUAQWRCYMGGX-SJORKVTESA-N 1 0 285.391 2.216 10 0 CEAERO CC[NH2+][C@H](Cc1nn(CC)c2ccccc12)CN(C)C ZINC000091719847 180234097 /nfs/dbraw/zinc/23/40/97/180234097.db2.gz STPWRXLOKSOLGV-CYBMUJFWSA-N 1 0 274.412 2.138 10 0 CEAERO CCC[NH2+][C@H](Cc1ccc(F)cc1)[C@@H]1CN(C)CCO1 ZINC000091719359 180234236 /nfs/dbraw/zinc/23/42/36/180234236.db2.gz YINLFGNXYHABOM-CVEARBPZSA-N 1 0 280.387 2.067 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccn([C@@H](C)CC)n1)CN(C)C ZINC000091719928 180234421 /nfs/dbraw/zinc/23/44/21/180234421.db2.gz DYNCGSIABSAUAW-ZFWWWQNUSA-N 1 0 266.433 2.326 10 0 CEAERO CC[NH2+][C@@H](Cc1ccc2ccccc2n1)CN(C)C ZINC000091719752 180234476 /nfs/dbraw/zinc/23/44/76/180234476.db2.gz NXCGSOMPPBKZIM-HNNXBMFYSA-N 1 0 257.381 2.317 10 0 CEAERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1cccc(OC(F)F)c1 ZINC000624235548 350239473 /nfs/dbraw/zinc/23/94/73/350239473.db2.gz MEWUVVDVHMKWDO-XDTLVQLUSA-N 1 0 287.306 2.088 10 0 CEAERO C[C@@H]1CC[C@H]([NH2+][C@H]2CCOC[C@H]2O)c2ccccc21 ZINC000624236666 350240102 /nfs/dbraw/zinc/24/01/02/350240102.db2.gz HPUNIMXHCRPQPQ-IPOQPSJVSA-N 1 0 261.365 2.364 10 0 CEAERO C[NH2+][C@H](c1ccc(C)c(C)c1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721303 180238225 /nfs/dbraw/zinc/23/82/25/180238225.db2.gz HCPYJFLAIPSAGX-BRWVUGGUSA-N 1 0 274.408 2.427 10 0 CEAERO CC[NH2+][C@H](Cc1cccs1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721765 180238456 /nfs/dbraw/zinc/23/84/56/180238456.db2.gz UYAOKSKROOUXIB-YUELXQCFSA-N 1 0 280.437 2.132 10 0 CEAERO O=C1N(Cc2csc3ccccc23)C[C@H]2C[NH2+]CCN12 ZINC000091750842 180245768 /nfs/dbraw/zinc/24/57/68/180245768.db2.gz UDALPPTUTZUWDX-GFCCVEGCSA-N 1 0 287.388 2.111 10 0 CEAERO CCc1ccc(C(=O)N2CCCC[C@@H]2CC[NH3+])o1 ZINC000091762756 180248586 /nfs/dbraw/zinc/24/85/86/180248586.db2.gz GTLSJZJSKOCHGN-LLVKDONJSA-N 1 0 250.342 2.186 10 0 CEAERO CCc1ccc(C(=O)N[C@@H]2CCCCC[C@@H]2[NH3+])o1 ZINC000091762642 180248624 /nfs/dbraw/zinc/24/86/24/180248624.db2.gz GXQBWZVPKUDXAE-NWDGAFQWSA-N 1 0 250.342 2.232 10 0 CEAERO COC(=O)c1ccc([C@@H](C)N(C)CCC[NH+](C)C)o1 ZINC000091782615 180254741 /nfs/dbraw/zinc/25/47/41/180254741.db2.gz YCDPABPTNXCQHM-LLVKDONJSA-N 1 0 268.357 2.011 10 0 CEAERO CCCCNC(=O)Cn1cccc1[C@H](C)[NH2+]CC ZINC000091801750 180258835 /nfs/dbraw/zinc/25/88/35/180258835.db2.gz KKSKBTONUYZIQE-LBPRGKRZSA-N 1 0 251.374 2.075 10 0 CEAERO C[NH2+][C@@H](C)c1cccn1CC(=O)Nc1ccccc1 ZINC000091800737 180259116 /nfs/dbraw/zinc/25/91/16/180259116.db2.gz GMNWROXHOXKVCX-LBPRGKRZSA-N 1 0 257.337 2.407 10 0 CEAERO CC[NH2+][C@H](C)c1cnc([C@H]2CN3CCC[C@@H]3CO2)s1 ZINC000091722497 180240898 /nfs/dbraw/zinc/24/08/98/180240898.db2.gz OCQAPQAATZLVQF-IJLUTSLNSA-N 1 0 281.425 2.349 10 0 CEAERO Cc1nc([C@@H]2CN(C)CCO2)sc1C[NH2+]CC(C)C ZINC000091723163 180241684 /nfs/dbraw/zinc/24/16/84/180241684.db2.gz KDSOFWLMRMPOBZ-LBPRGKRZSA-N 1 0 283.441 2.200 10 0 CEAERO CCCOc1cncc(N(CC)C2CCC([NH3+])CC2)n1 ZINC000091851320 180272793 /nfs/dbraw/zinc/27/27/93/180272793.db2.gz MDOQQYYVRWTQBJ-UHFFFAOYSA-N 1 0 278.400 2.362 10 0 CEAERO CCCN(C(=O)CC(F)(F)F)C1CCC([NH3+])CC1 ZINC000091851877 180272987 /nfs/dbraw/zinc/27/29/87/180272987.db2.gz PYXALETXIAKBCX-UHFFFAOYSA-N 1 0 266.307 2.447 10 0 CEAERO CCCN(C(=O)CC[C@@H]1CCCO1)C1CCC([NH3+])CC1 ZINC000091851906 180273007 /nfs/dbraw/zinc/27/30/07/180273007.db2.gz AVSZDIYKDORHLE-NRXISQOPSA-N 1 0 282.428 2.454 10 0 CEAERO CCCN(c1nccn1CC)C1CCC([NH3+])CC1 ZINC000091852653 180273057 /nfs/dbraw/zinc/27/30/57/180273057.db2.gz VSKOFNFSHPUJIU-UHFFFAOYSA-N 1 0 250.390 2.389 10 0 CEAERO CCCN(C1CCC([NH3+])CC1)S(=O)(=O)c1ccccc1 ZINC000091852184 180273089 /nfs/dbraw/zinc/27/30/89/180273089.db2.gz WEFSZHALNPUAOP-UHFFFAOYSA-N 1 0 296.436 2.357 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)c2c(F)cccc2OC)CC1 ZINC000091854538 180274542 /nfs/dbraw/zinc/27/45/42/180274542.db2.gz KMNKWKYXYIAVKG-UHFFFAOYSA-N 1 0 294.370 2.437 10 0 CEAERO CC[C@@H]([NH2+]C)c1ccn(CCC(=O)NC(C)C)c1 ZINC000091816568 180263189 /nfs/dbraw/zinc/26/31/89/180263189.db2.gz YTZJXJQSCABABN-CYBMUJFWSA-N 1 0 251.374 2.073 10 0 CEAERO CCC[C@@H]([NH2+]C)c1ccn(CC(=O)NCC(C)C)c1 ZINC000091822423 180264102 /nfs/dbraw/zinc/26/41/02/180264102.db2.gz PEIYQGLQSMJUNE-CQSZACIVSA-N 1 0 265.401 2.321 10 0 CEAERO CCC[C@H]([NH2+]C)c1ccn(CC(=O)NC(C)C)c1 ZINC000091821763 180264135 /nfs/dbraw/zinc/26/41/35/180264135.db2.gz ZWQZMBRFLITFHY-ZDUSSCGKSA-N 1 0 251.374 2.073 10 0 CEAERO C[C@H]1CN(CCSc2ccc(F)cc2)C[C@@H]1[NH3+] ZINC000235639351 539785185 /nfs/dbraw/zinc/78/51/85/539785185.db2.gz ARAWXSSYAYHBMF-GWCFXTLKSA-N 1 0 254.374 2.197 10 0 CEAERO C[NH2+][C@@H](c1ccn(CC(=O)N(C)C(C)C)c1)C(C)C ZINC000091826931 180264960 /nfs/dbraw/zinc/26/49/60/180264960.db2.gz NUNCODRPUQDKPI-OAHLLOKOSA-N 1 0 265.401 2.271 10 0 CEAERO CC[NH2+][C@H](c1ccn(CCC(=O)OC)c1)C1CC1 ZINC000091838151 180267889 /nfs/dbraw/zinc/26/78/89/180267889.db2.gz BLTLKUOCPXENJB-AWEZNQCLSA-N 1 0 250.342 2.112 10 0 CEAERO CCc1cc(N(CC)C2CCC([NH3+])CC2)nc(C)n1 ZINC000091851158 180272269 /nfs/dbraw/zinc/27/22/69/180272269.db2.gz CLCRELUNYMDNDJ-UHFFFAOYSA-N 1 0 262.401 2.444 10 0 CEAERO C[C@@H](c1nc2ccc(F)cc2s1)N1CC[NH2+]CC1 ZINC000091939581 180289555 /nfs/dbraw/zinc/28/95/55/180289555.db2.gz XQVVPWKYYSWIJM-VIFPVBQESA-N 1 0 265.357 2.402 10 0 CEAERO CCC1CCC(C[NH3+])(N(CC)C(=O)N2CCOCC2)CC1 ZINC000091970137 180294944 /nfs/dbraw/zinc/29/49/44/180294944.db2.gz ZUSAXIVROMSJOJ-UHFFFAOYSA-N 1 0 297.443 2.058 10 0 CEAERO COCC[NH2+]Cc1ncoc1-c1cc(C)ccc1OC ZINC000091959633 180292195 /nfs/dbraw/zinc/29/21/95/180292195.db2.gz HCXXGDYAEXLXKC-UHFFFAOYSA-N 1 0 276.336 2.395 10 0 CEAERO C[C@H]1CCC[C@@](C[NH3+])(N(C)C(=O)N2CCCC2)C1 ZINC000091963096 180292977 /nfs/dbraw/zinc/29/29/77/180292977.db2.gz HJZASERWKODHAI-GXTWGEPZSA-N 1 0 253.390 2.042 10 0 CEAERO C[C@@H]1CCC[C@](C[NH3+])(N(C)C(=O)N2CCCC2)C1 ZINC000091963097 180293150 /nfs/dbraw/zinc/29/31/50/180293150.db2.gz HJZASERWKODHAI-OCCSQVGLSA-N 1 0 253.390 2.042 10 0 CEAERO CCN(CC)C(=O)N(C)C1(C[NH3+])CCCCCC1 ZINC000091961629 180293217 /nfs/dbraw/zinc/29/32/17/180293217.db2.gz DMHKHUZINLKHCC-UHFFFAOYSA-N 1 0 255.406 2.432 10 0 CEAERO CC[NH2+]C1CCC(N(C)c2cccc(OC)n2)CC1 ZINC000091870832 180277434 /nfs/dbraw/zinc/27/74/34/180277434.db2.gz AVWYBXKXSMBCAH-UHFFFAOYSA-N 1 0 263.385 2.447 10 0 CEAERO C[NH2+]C1CCC([N@H+](C)C[C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000091872952 180277760 /nfs/dbraw/zinc/27/77/60/180277760.db2.gz NIXSTNUCLLXKQH-GPANFISMSA-N 1 0 290.407 2.317 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)c2ccncc2Cl)CC1 ZINC000091872028 180277834 /nfs/dbraw/zinc/27/78/34/180277834.db2.gz YJGNQIFOBJMQGB-UHFFFAOYSA-N 1 0 281.787 2.338 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)/C=C/c2ccco2)CC1 ZINC000091872299 180278048 /nfs/dbraw/zinc/27/80/48/180278048.db2.gz CBZRZDOCGANLHG-MDZDMXLPSA-N 1 0 262.353 2.282 10 0 CEAERO CCCOc1cncc(NC2CCC([NH2+]C)CC2)n1 ZINC000091873541 180278091 /nfs/dbraw/zinc/27/80/91/180278091.db2.gz PAVSLCFCRGAPBI-UHFFFAOYSA-N 1 0 264.373 2.208 10 0 CEAERO C[NH2+]C1CCC(N(C)c2ccc(Cl)nn2)CC1 ZINC000091873681 180278599 /nfs/dbraw/zinc/27/85/99/180278599.db2.gz FCAYRXSLENRZPZ-UHFFFAOYSA-N 1 0 254.765 2.097 10 0 CEAERO C[NH2+]C1CCC(N(C)c2cncc(OC(C)C)n2)CC1 ZINC000091873603 180279028 /nfs/dbraw/zinc/27/90/28/180279028.db2.gz RWIPCHQAEFTKQA-UHFFFAOYSA-N 1 0 278.400 2.231 10 0 CEAERO CS(=O)(=O)CCC[C@@]1(C2CC2)CCCCC[NH2+]1 ZINC000091875320 180279111 /nfs/dbraw/zinc/27/91/11/180279111.db2.gz FODVYWHINQEOJK-CYBMUJFWSA-N 1 0 259.415 2.124 10 0 CEAERO COCC[C@](C)(O)[C@@]1(C[NH3+])CCCc2ccccc21 ZINC000091906715 180283744 /nfs/dbraw/zinc/28/37/44/180283744.db2.gz WKSHKNMKDXEJBO-JKSUJKDBSA-N 1 0 263.381 2.007 10 0 CEAERO COCC[C@@](C)(O)[C@]1(C[NH3+])CCCc2ccccc21 ZINC000091906708 180284063 /nfs/dbraw/zinc/28/40/63/180284063.db2.gz WKSHKNMKDXEJBO-CVEARBPZSA-N 1 0 263.381 2.007 10 0 CEAERO COc1ccc([C@@H](O)C2(C[NH3+])CCCC2)cc1OC ZINC000091908872 180284559 /nfs/dbraw/zinc/28/45/59/180284559.db2.gz GAQOGFNXFPXLPD-CQSZACIVSA-N 1 0 265.353 2.256 10 0 CEAERO COc1cccc([C@@H](O)C2(C[NH3+])Cc3ccccc3C2)c1 ZINC000091908719 180284564 /nfs/dbraw/zinc/28/45/64/180284564.db2.gz OLADYWVRCGOCBY-QGZVFWFLSA-N 1 0 283.371 2.473 10 0 CEAERO [NH3+]CC1([C@H](O)c2cnn(-c3ccccc3)c2)CCCC1 ZINC000091909362 180284675 /nfs/dbraw/zinc/28/46/75/180284675.db2.gz PZASUGFRAWNVTL-OAHLLOKOSA-N 1 0 271.364 2.425 10 0 CEAERO CC[C@H](C[NH3+])[C@H](O)c1cc2c(c(Cl)c1)OCO2 ZINC000091909964 180284707 /nfs/dbraw/zinc/28/47/07/180284707.db2.gz SYVVISDWGDEGBQ-HQJQHLMTSA-N 1 0 257.717 2.087 10 0 CEAERO [NH3+]C[C@]1([C@@H](O)C2CCCC2)COc2ccccc2C1 ZINC000091913248 180285211 /nfs/dbraw/zinc/28/52/11/180285211.db2.gz VUYXQYVGRSBZGE-HOTGVXAUSA-N 1 0 261.365 2.118 10 0 CEAERO [NH3+]C[C@]1([C@H](O)c2ccccn2)CCc2ccccc2C1 ZINC000091910164 180285347 /nfs/dbraw/zinc/28/53/47/180285347.db2.gz IFWJHQJMRFAVDK-SJORKVTESA-N 1 0 268.360 2.249 10 0 CEAERO [NH3+]C[C@@]1([C@H](O)C2CCCC2)CCOc2ccccc21 ZINC000091913234 180285348 /nfs/dbraw/zinc/28/53/48/180285348.db2.gz HTIGCKWJGLPFBK-CVEARBPZSA-N 1 0 261.365 2.217 10 0 CEAERO CC[C@@](C)(C[NH3+])[C@H](O)c1cc(OC)c(OC)cc1OC ZINC000091910959 180285358 /nfs/dbraw/zinc/28/53/58/180285358.db2.gz JMOZAJFHDJSHLG-CABCVRRESA-N 1 0 283.368 2.121 10 0 CEAERO [NH3+]CC1([C@H](O)c2c(F)cccc2Cl)CCOCC1 ZINC000091910340 180285405 /nfs/dbraw/zinc/28/54/05/180285405.db2.gz JVCRWKQNHMXXMP-GFCCVEGCSA-N 1 0 273.735 2.268 10 0 CEAERO [NH3+]C[C@@]1([C@@H](O)Cc2ccccc2)CCOc2ccccc21 ZINC000091914016 180286159 /nfs/dbraw/zinc/28/61/59/180286159.db2.gz PUHIEVHHXHPGCM-ROUUACIJSA-N 1 0 283.371 2.269 10 0 CEAERO C[C@H]1C[C@@](O)(C2(C[NH3+])CCC(C)(C)CC2)CCO1 ZINC000091918405 180286800 /nfs/dbraw/zinc/28/68/00/180286800.db2.gz WMQBOEOWCDXWKN-SWLSCSKDSA-N 1 0 255.402 2.462 10 0 CEAERO C[C@H]1CCC[C@](C[NH3+])(C2(O)CN(C(=O)OC(C)(C)C)C2)C1 ZINC000091925240 180287395 /nfs/dbraw/zinc/28/73/95/180287395.db2.gz YCIUASMRHBUCHG-WFASDCNBSA-N 1 0 298.427 2.123 10 0 CEAERO Cc1cc(C)c(NC(=O)CSC(N)=[NH2+])c(C)c1 ZINC000105651177 186067144 /nfs/dbraw/zinc/06/71/44/186067144.db2.gz SXIUUDXVMDDQOC-UHFFFAOYSA-N 1 0 251.355 2.177 10 0 CEAERO CC(C)C[NH2+]Cc1ccc(OC[C@H]2CN(C)CCO2)cc1 ZINC000092054505 180314413 /nfs/dbraw/zinc/31/44/13/180314413.db2.gz UXDXJTDYHHJFDA-QGZVFWFLSA-N 1 0 292.423 2.142 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1CNC(=O)N1CCCCCC1 ZINC000091971972 180295636 /nfs/dbraw/zinc/29/56/36/180295636.db2.gz RHRBKSFXYZNLLG-UONOGXRCSA-N 1 0 267.417 2.337 10 0 CEAERO CCN(C(=O)N1CCCCCC1)[C@@H]1CCC[C@H]1C[NH3+] ZINC000091971707 180295743 /nfs/dbraw/zinc/29/57/43/180295743.db2.gz CFMLUWWNMWVYIL-UONOGXRCSA-N 1 0 267.417 2.432 10 0 CEAERO C[C@H]1CCCN(C(=O)Nc2ccc(CC[NH3+])cc2)C1 ZINC000091972733 180295949 /nfs/dbraw/zinc/29/59/49/180295949.db2.gz NWFVUSVZJWEUND-LBPRGKRZSA-N 1 0 261.369 2.452 10 0 CEAERO C[C@H]1CCCN(C(=O)N2CCC[C@@H]2C2CC[NH2+]CC2)C1 ZINC000091973203 180296821 /nfs/dbraw/zinc/29/68/21/180296821.db2.gz ABCGKHKVHUKCDY-DZGCQCFKSA-N 1 0 279.428 2.302 10 0 CEAERO COC(=O)c1ccc(COc2ccc(C)nc2C[NH3+])cc1 ZINC000091994098 180301065 /nfs/dbraw/zinc/30/10/65/180301065.db2.gz OLHPGIBHZFQHSV-UHFFFAOYSA-N 1 0 286.331 2.214 10 0 CEAERO Cc1ccc(OCc2ccncc2Cl)c(C[NH3+])n1 ZINC000091994133 180301251 /nfs/dbraw/zinc/30/12/51/180301251.db2.gz WLYXFSGTJJTVMD-UHFFFAOYSA-N 1 0 263.728 2.476 10 0 CEAERO Cc1ccc(OC[C@@](C)(O)c2ccccc2)c(C[NH3+])n1 ZINC000091993722 180301399 /nfs/dbraw/zinc/30/13/99/180301399.db2.gz LGGGWIVUSVNZEU-MRXNPFEDSA-N 1 0 272.348 2.135 10 0 CEAERO CC[NH2+]Cc1nc(C)ccc1O[C@H]1CCCC[C@H]1O ZINC000091994814 180301496 /nfs/dbraw/zinc/30/14/96/180301496.db2.gz VZRHPOBSBRXVSN-HIFRSBDPSA-N 1 0 264.369 2.182 10 0 CEAERO C[NH2+]Cc1nc(C)ccc1OCC[C@@H]1CCCO1 ZINC000091994243 180301585 /nfs/dbraw/zinc/30/15/85/180301585.db2.gz CQPXQIUYYUDTPV-LBPRGKRZSA-N 1 0 250.342 2.057 10 0 CEAERO Cc1ccc(O[C@@H]2CCOC2)c(C[NH2+]C(C)C)n1 ZINC000091995392 180302570 /nfs/dbraw/zinc/30/25/70/180302570.db2.gz BGMAIHUJIQPHEQ-GFCCVEGCSA-N 1 0 250.342 2.056 10 0 CEAERO CO[C@H]1CCC[C@@H](Oc2ccc(C)nc2CC[NH3+])C1 ZINC000091999655 180303498 /nfs/dbraw/zinc/30/34/98/180303498.db2.gz UKGZYIIWMQKSQY-QWHCGFSZSA-N 1 0 264.369 2.228 10 0 CEAERO Cc1ncc(COc2ccc(C)nc2CC[NH3+])s1 ZINC000091999637 180303684 /nfs/dbraw/zinc/30/36/84/180303684.db2.gz CXTGWOBMMRBJKP-UHFFFAOYSA-N 1 0 263.366 2.235 10 0 CEAERO C[C@H](O)c1ccc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000092001977 180304636 /nfs/dbraw/zinc/30/46/36/180304636.db2.gz SZWDZYSQEDVIBR-BJJXKVORSA-N 1 0 260.381 2.413 10 0 CEAERO CCCCNS(=O)(=O)c1ccc(C[NH2+]CC)cc1F ZINC000092115831 180327477 /nfs/dbraw/zinc/32/74/77/180327477.db2.gz BMUKXIUEUNFQMY-UHFFFAOYSA-N 1 0 288.388 2.014 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)N(C)Cc1ccc(SC)cc1 ZINC000092134105 180331590 /nfs/dbraw/zinc/33/15/90/180331590.db2.gz OKFMKUBEJQQDHZ-NSHDSACASA-N 1 0 266.410 2.222 10 0 CEAERO CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)C[NH2+]C ZINC000092135926 180333187 /nfs/dbraw/zinc/33/31/87/180333187.db2.gz PAABZIFZWCQSFZ-SECBINFHSA-N 1 0 298.408 2.281 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)Nc1cc(OC)ccc1Cl ZINC000092136468 180333389 /nfs/dbraw/zinc/33/33/89/180333389.db2.gz PAOYDLGATXDLQZ-MRVPVSSYSA-N 1 0 256.733 2.143 10 0 CEAERO COC(C)(C)c1noc(C[C@H]([NH3+])c2ccccc2)n1 ZINC000092137918 180333563 /nfs/dbraw/zinc/33/35/63/180333563.db2.gz KZNSOGFRBHIYAU-NSHDSACASA-N 1 0 261.325 2.194 10 0 CEAERO CC[NH2+][C@@H]1CCC[C@H]1c1nc(C(C)(C)OC)no1 ZINC000092141503 180334043 /nfs/dbraw/zinc/33/40/43/180334043.db2.gz YDWVUBCZTDCPRL-NXEZZACHSA-N 1 0 253.346 2.197 10 0 CEAERO Cc1c(CCC[NH3+])cnn1-c1cc(F)c(F)c(F)c1 ZINC000092150432 180334257 /nfs/dbraw/zinc/33/42/57/180334257.db2.gz IJKMKLQCFCTMMJ-UHFFFAOYSA-N 1 0 269.270 2.489 10 0 CEAERO C[NH2+][C@@H](C)[C@H](c1nc(C(C)(C)OC)no1)C(C)C ZINC000092141581 180334356 /nfs/dbraw/zinc/33/43/56/180334356.db2.gz REFHRYIRPADGBQ-VHSXEESVSA-N 1 0 255.362 2.299 10 0 CEAERO C[C@H]1C[N@H+](Cc2cc3c(cc2N)OCCO3)C[C@H]1C ZINC000092080855 180319451 /nfs/dbraw/zinc/31/94/51/180319451.db2.gz ZPGDCPJRIJBRDI-PHIMTYICSA-N 1 0 262.353 2.128 10 0 CEAERO Cc1ccc(N)cc1NC(=O)C[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000092081451 180319708 /nfs/dbraw/zinc/31/97/08/180319708.db2.gz QDQJHPJBLKTELR-VXGBXAGGSA-N 1 0 261.369 2.104 10 0 CEAERO C[NH2+]Cc1c(N2C[C@H](C)[C@@H](C)C2)nc2ccccn21 ZINC000092086728 180320723 /nfs/dbraw/zinc/32/07/23/180320723.db2.gz RCFNSYWZGYLQAY-RYUDHWBXSA-N 1 0 258.369 2.146 10 0 CEAERO CC(C)C[NH2+]Cc1ccc(N2C[C@H](C)[C@@H](C)C2)nn1 ZINC000092088935 180321739 /nfs/dbraw/zinc/32/17/39/180321739.db2.gz ROIKLEWSAWZXHX-STQMWFEESA-N 1 0 262.401 2.314 10 0 CEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)cc1 ZINC000092091414 180321951 /nfs/dbraw/zinc/32/19/51/180321951.db2.gz GSDVPBCXEJMUDI-BETUJISGSA-N 1 0 296.436 2.073 10 0 CEAERO C[NH2+][C@H](C)c1ccc(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)cc1 ZINC000092091222 180322024 /nfs/dbraw/zinc/32/20/24/180322024.db2.gz RTJYOXXHTXIFJJ-RWMBFGLXSA-N 1 0 296.436 2.244 10 0 CEAERO CCCc1ccc([C@H]([NH3+])CN2C(=O)[C@H](C)[C@H](C)C2=O)cc1 ZINC000092094282 180322960 /nfs/dbraw/zinc/32/29/60/180322960.db2.gz TUYSXNQCNBOBIU-TYNCELHUSA-N 1 0 288.391 2.280 10 0 CEAERO CCc1ccc(CN(C)C(=O)[C@H]2C=C[C@H]([NH3+])C2)cc1 ZINC000092202076 180342936 /nfs/dbraw/zinc/34/29/36/180342936.db2.gz QCTSMMNLIRWFNT-GJZGRUSLSA-N 1 0 258.365 2.111 10 0 CEAERO C[C@H](NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1)c1ccc(F)cc1F ZINC000092202606 180343493 /nfs/dbraw/zinc/34/34/93/180343493.db2.gz DHJMKDZVHNWCAD-IQJOONFLSA-N 1 0 266.291 2.045 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)N[C@@H]2CCSc3ccc(F)cc32)C1 ZINC000092202769 180343506 /nfs/dbraw/zinc/34/35/06/180343506.db2.gz SFDPMUNHSMEUGA-IRUJWGPZSA-N 1 0 292.379 2.382 10 0 CEAERO CC[C@H](NC(=O)[C@H]1C=C[C@@H]([NH3+])C1)c1ccc(C)cc1 ZINC000092203187 180343509 /nfs/dbraw/zinc/34/35/09/180343509.db2.gz ZWYDZFXYUCFGSI-ZNMIVQPWSA-N 1 0 258.365 2.466 10 0 CEAERO CCc1nc2cc(NC(=O)[C@H]3C=C[C@H]([NH3+])C3)ccc2o1 ZINC000092204311 180343734 /nfs/dbraw/zinc/34/37/34/180343734.db2.gz XCNPLIVTADCUCH-UWVGGRQHSA-N 1 0 271.320 2.232 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2ccc3ncccc3c2)C1 ZINC000092207358 180344212 /nfs/dbraw/zinc/34/42/12/180344212.db2.gz IQSZBQFOWBZORB-VXGBXAGGSA-N 1 0 253.305 2.077 10 0 CEAERO CSc1ccc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000092232437 180349270 /nfs/dbraw/zinc/34/92/70/180349270.db2.gz YRPZWUQMIRHLDG-WCQYABFASA-N 1 0 264.394 2.266 10 0 CEAERO C[C@@H](C[NH2+]C[C@@H]1Cc2ccccc2S1)N(C)C ZINC000092243728 180351569 /nfs/dbraw/zinc/35/15/69/180351569.db2.gz ZWILWMJWBWBTEY-AAEUAGOBSA-N 1 0 250.411 2.243 10 0 CEAERO c1cnn(CC[NH2+]C[C@@H]2Cc3ccccc3S2)c1 ZINC000092243076 180351653 /nfs/dbraw/zinc/35/16/53/180351653.db2.gz WZKAMMZOOXKEMN-ZDUSSCGKSA-N 1 0 259.378 2.190 10 0 CEAERO C[C@H](C[NH2+]C[C@@H]1Cc2ccccc2S1)N(C)C ZINC000092243730 180351707 /nfs/dbraw/zinc/35/17/07/180351707.db2.gz ZWILWMJWBWBTEY-YPMHNXCESA-N 1 0 250.411 2.243 10 0 CEAERO CN(CC[NH2+]CCSc1ccccc1)C1CC1 ZINC000092244140 180352174 /nfs/dbraw/zinc/35/21/74/180352174.db2.gz CVJAIEJJOSMODN-UHFFFAOYSA-N 1 0 250.411 2.463 10 0 CEAERO C[C@H]([NH3+])Cc1cnn(C[C@H]2Cc3ccccc3S2)c1 ZINC000092271357 180356545 /nfs/dbraw/zinc/35/65/45/180356545.db2.gz YKZKGZCHPMBPOZ-SMDDNHRTSA-N 1 0 273.405 2.490 10 0 CEAERO CN(C[C@H]1COc2ccccc21)C1(C[NH3+])CCCC1 ZINC000092298855 180358451 /nfs/dbraw/zinc/35/84/51/180358451.db2.gz ADFYDLBMYQTYQI-ZDUSSCGKSA-N 1 0 260.381 2.366 10 0 CEAERO C[C@H]([NH3+])[C@H]1CCCCN1C[C@@H]1COc2ccccc21 ZINC000092298063 180358983 /nfs/dbraw/zinc/35/89/83/180358983.db2.gz INXMXXQRRJIZBV-GZBFAFLISA-N 1 0 260.381 2.364 10 0 CEAERO C[C@@H](CC(N)=S)[N@H+](C)C[C@@H]1COc2ccccc21 ZINC000092301790 180359304 /nfs/dbraw/zinc/35/93/04/180359304.db2.gz XJWIIWFHARUGML-WDEREUQCSA-N 1 0 264.394 2.159 10 0 CEAERO COc1ccc(-c2noc([C@@H]3C=C[C@H]([NH3+])C3)n2)cc1OC ZINC000092181460 180338420 /nfs/dbraw/zinc/33/84/20/180338420.db2.gz CEKKZJGNXRUQBO-MNOVXSKESA-N 1 0 287.319 2.125 10 0 CEAERO Cc1ccccc1Cc1noc([C@H]2C=C[C@@H]([NH3+])C2)n1 ZINC000092181609 180338668 /nfs/dbraw/zinc/33/86/68/180338668.db2.gz XWAUBVVXDPPDPA-QWHCGFSZSA-N 1 0 255.321 2.340 10 0 CEAERO CCCc1ccc([C@@H](CN2C(=O)C[C@H](C)C2=O)[NH2+]C)cc1 ZINC000105832683 186075113 /nfs/dbraw/zinc/07/51/13/186075113.db2.gz YKKVTOYRDMRPTG-SWLSCSKDSA-N 1 0 288.391 2.295 10 0 CEAERO COCCN1CC[N@H+](CC2CCCCC2)C[C@@H]1C ZINC000105832897 186076825 /nfs/dbraw/zinc/07/68/25/186076825.db2.gz IJSCUHUUPWGXPG-AWEZNQCLSA-N 1 0 254.418 2.219 10 0 CEAERO Cc1cnn([C@@H]2CCC[N@@H+](Cc3c(C)nn(C)c3C)C2)c1 ZINC000105901784 186087665 /nfs/dbraw/zinc/08/76/65/186087665.db2.gz QYVRGRSUSIFMFL-OAHLLOKOSA-N 1 0 287.411 2.379 10 0 CEAERO CCc1nc(CSC)nc(CC)c1CC[NH2+]CCOC ZINC000092319001 180361606 /nfs/dbraw/zinc/36/16/06/180361606.db2.gz GWROGPPLLBTQBP-UHFFFAOYSA-N 1 0 297.468 2.243 10 0 CEAERO CCCc1nc(CC)c(CC[NH2+]CCOC)c(CC)n1 ZINC000092319024 180361743 /nfs/dbraw/zinc/36/17/43/180361743.db2.gz AFKGIGJMOBRQRF-UHFFFAOYSA-N 1 0 279.428 2.332 10 0 CEAERO Cc1nn(-c2cc(C)ncn2)c(C)c1CCC[NH2+]C1CC1 ZINC000092322851 180362271 /nfs/dbraw/zinc/36/22/71/180362271.db2.gz LJWRCYGJANOZMC-UHFFFAOYSA-N 1 0 285.395 2.272 10 0 CEAERO COc1ccc(CC[NH2+]CC(C)(C)N(C)C)cc1 ZINC000105958040 186094896 /nfs/dbraw/zinc/09/48/96/186094896.db2.gz KWEWKQNSRZUNFX-UHFFFAOYSA-N 1 0 250.386 2.168 10 0 CEAERO Cc1noc(C)c1[C@H](C)NC(=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000092329581 180364002 /nfs/dbraw/zinc/36/40/02/180364002.db2.gz NORZPDXEKCGWGB-ZWKOPEQDSA-N 1 0 279.384 2.234 10 0 CEAERO COCCN1CC[N@H+](Cc2cccc3cccnc32)C[C@H]1C ZINC000106108475 186102249 /nfs/dbraw/zinc/10/22/49/186102249.db2.gz UKFDANRSJGEQAO-OAHLLOKOSA-N 1 0 299.418 2.387 10 0 CEAERO Cc1nn(C)c(C)c1Cn1c(N)[nH+]c2cc(C)ccc21 ZINC000092341045 180365746 /nfs/dbraw/zinc/36/57/46/180365746.db2.gz LUXFQNYKGLKWEF-UHFFFAOYSA-N 1 0 269.352 2.326 10 0 CEAERO O=C1C[C@H]([NH2+]C[C@H]2CC=CCC2)C(=O)N1C1CCCCC1 ZINC000106257918 186105790 /nfs/dbraw/zinc/10/57/90/186105790.db2.gz PUJURGZFEXZSJM-ZFWWWQNUSA-N 1 0 290.407 2.393 10 0 CEAERO CN(Cc1cccc(Cl)n1)[C@H]1CCC[N@H+](C)C1 ZINC000092366518 180369162 /nfs/dbraw/zinc/36/91/62/180369162.db2.gz ZUHCLIKPASIHEO-LBPRGKRZSA-N 1 0 253.777 2.261 10 0 CEAERO CNc1ccccc1S(=O)(=O)Nc1cc[nH+]c(C)c1 ZINC000092366162 180369182 /nfs/dbraw/zinc/36/91/82/180369182.db2.gz XNJRQFSLSUYYCB-UHFFFAOYSA-N 1 0 277.349 2.233 10 0 CEAERO CC(C)[C@@H]1CCC(=O)N(Cc2cccc(NN)[nH+]2)CC1 ZINC000092371179 180369681 /nfs/dbraw/zinc/36/96/81/180369681.db2.gz SYINTJIREYFSLI-GFCCVEGCSA-N 1 0 276.384 2.152 10 0 CEAERO CCCNc1cccc(CN2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000092371271 180370079 /nfs/dbraw/zinc/37/00/79/180370079.db2.gz DTXAQSYNYLNXPG-OAHLLOKOSA-N 1 0 276.428 2.430 10 0 CEAERO CCNc1cccc(CN2CCC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000092370521 180370414 /nfs/dbraw/zinc/37/04/14/180370414.db2.gz LWOCGBYXKXHXFZ-OAHLLOKOSA-N 1 0 274.412 2.184 10 0 CEAERO CCCCS(=O)(=O)[C@@H]1CCc2ccc(OC)cc2[C@@H]1[NH3+] ZINC000092388671 180374404 /nfs/dbraw/zinc/37/44/04/180374404.db2.gz NESFJXWYVHAQQG-CABCVRRESA-N 1 0 297.420 2.225 10 0 CEAERO COc1ccc2c(c1)[C@@H]([NH2+][C@H](CO)C(C)C)CCO2 ZINC000092393268 180376115 /nfs/dbraw/zinc/37/61/15/180376115.db2.gz OIBNPQDQKHITAQ-UONOGXRCSA-N 1 0 265.353 2.125 10 0 CEAERO C[C@@H](NC(=O)[C@H](Cc1ccccc1)[NH+](C)C)C1CC1 ZINC000106429884 186117159 /nfs/dbraw/zinc/11/71/59/186117159.db2.gz QNICIYPLARGYKH-DOMZBBRYSA-N 1 0 260.381 2.074 10 0 CEAERO C[C@H]1CC[C@H](C[NH3+])CN1Cc1cc(Cl)ccn1 ZINC000092417268 180381300 /nfs/dbraw/zinc/38/13/00/180381300.db2.gz MGZCCOJAHSSJQF-WDEREUQCSA-N 1 0 253.777 2.294 10 0 CEAERO CNc1cc[nH+]c(CN2C[C@@H](C)S[C@H](C)C2)c1 ZINC000092419296 180381944 /nfs/dbraw/zinc/38/19/44/180381944.db2.gz NPSOWPKMSOZBMI-GHMZBOCLSA-N 1 0 251.399 2.449 10 0 CEAERO Cc1ccccc1C[N@H+](C)Cc1cc(NN)ccn1 ZINC000092421124 180382159 /nfs/dbraw/zinc/38/21/59/180382159.db2.gz RPHRLPKBZGNGGY-UHFFFAOYSA-N 1 0 256.353 2.308 10 0 CEAERO NNc1ccnc(C[N@@H+]2CC[C@H](c3ccccc3)C2)c1 ZINC000092421073 180382411 /nfs/dbraw/zinc/38/24/11/180382411.db2.gz DEQMIDPSSADUKV-AWEZNQCLSA-N 1 0 268.364 2.357 10 0 CEAERO C[NH2+][C@H]1c2cc(OC)ccc2CC[C@H]1N(C)CCCOC ZINC000092385838 180373634 /nfs/dbraw/zinc/37/36/34/180373634.db2.gz OMZCNXZKCGLJQJ-SJORKVTESA-N 1 0 292.423 2.239 10 0 CEAERO CC[N@@H+](Cc1cccc(C)n1)C[C@@H](C)C(N)=S ZINC000092429207 180384360 /nfs/dbraw/zinc/38/43/60/180384360.db2.gz MYYXCGZZHOQVAT-SNVBAGLBSA-N 1 0 251.399 2.134 10 0 CEAERO Cc1cccc(CN2CC[NH2+]Cc3ccccc32)n1 ZINC000092431262 180384447 /nfs/dbraw/zinc/38/44/47/180384447.db2.gz CRRBXCCJNUWSTD-UHFFFAOYSA-N 1 0 253.349 2.500 10 0 CEAERO CSC1(C(N)=S)CC[NH+](Cc2cccc(C)n2)CC1 ZINC000092429270 180384545 /nfs/dbraw/zinc/38/45/45/180384545.db2.gz KXXULRCYJZPMHC-UHFFFAOYSA-N 1 0 295.477 2.374 10 0 CEAERO C[C@H](CCc1ccc(O)cc1)NC(=O)C[NH2+]C(C)(C)C ZINC000092460721 180389884 /nfs/dbraw/zinc/38/98/84/180389884.db2.gz FKGMIALALHJKED-GFCCVEGCSA-N 1 0 278.396 2.218 10 0 CEAERO CC(C)N1C(=O)C[C@H]([NH2+][C@@H](C)C2CCCCC2)C1=O ZINC000107290429 186166565 /nfs/dbraw/zinc/16/65/65/186166565.db2.gz BMMIUKWLVMKBNP-AAEUAGOBSA-N 1 0 266.385 2.081 10 0 CEAERO CC(C)c1ccc(-c2nnc3n2C[C@@H]([NH3+])CC3)cc1 ZINC000107820520 186193219 /nfs/dbraw/zinc/19/32/19/186193219.db2.gz PHQGEKKUEYWNFZ-ZDUSSCGKSA-N 1 0 256.353 2.342 10 0 CEAERO COCC[N@H+](CC1(O)CCCCC1)[C@@H](C)C1CC1 ZINC000109122223 186244528 /nfs/dbraw/zinc/24/45/28/186244528.db2.gz KVXYNKSZJXFCDM-ZDUSSCGKSA-N 1 0 255.402 2.429 10 0 CEAERO CC[C@H](C)N1C(=O)C[C@@H]([NH2+]CC2CCC(C)CC2)C1=O ZINC000109180710 186244796 /nfs/dbraw/zinc/24/47/96/186244796.db2.gz ZVSFXIDFXRKBHN-GNRIBBGQSA-N 1 0 280.412 2.328 10 0 CEAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCS1 ZINC000130689579 365978790 /nfs/dbraw/zinc/97/87/90/365978790.db2.gz RYCCZWMTJGADGB-GJZGRUSLSA-N 1 0 292.448 2.171 10 0 CEAERO CC[NH2+][C@@H](Cc1nc(-c2ccccn2)no1)C(C)C ZINC000109497383 186257076 /nfs/dbraw/zinc/25/70/76/186257076.db2.gz SBNSKNJBAVSXDP-LBPRGKRZSA-N 1 0 260.341 2.308 10 0 CEAERO CC[C@H](Cc1nc(-c2ccc(OC)c(OC)c2)no1)[NH2+]C ZINC000109505695 186257597 /nfs/dbraw/zinc/25/75/97/186257597.db2.gz ZRWAITOVWHSBND-LLVKDONJSA-N 1 0 291.351 2.294 10 0 CEAERO CC[NH2+][C@@H](C)[C@@H](c1nc(-c2ncccn2)no1)C(C)C ZINC000109505574 186257610 /nfs/dbraw/zinc/25/76/10/186257610.db2.gz LYEQYHAJGFUDLJ-QWRGUYRKSA-N 1 0 275.356 2.264 10 0 CEAERO CC(C)[C@H](c1nc(CC(F)(F)F)no1)[C@H](C)[NH3+] ZINC000109517216 186259481 /nfs/dbraw/zinc/25/94/81/186259481.db2.gz IFVINDLOKXHACN-XPUUQOCRSA-N 1 0 251.252 2.261 10 0 CEAERO Cc1cnc(C)c(NCc2ccc(C[NH3+])cc2F)n1 ZINC000109540818 186260626 /nfs/dbraw/zinc/26/06/26/186260626.db2.gz RPAPNPFLAJMLLC-UHFFFAOYSA-N 1 0 260.316 2.303 10 0 CEAERO COc1ccc(C(=O)NCc2ccc(C[NH3+])cc2F)cc1 ZINC000109540203 186261230 /nfs/dbraw/zinc/26/12/30/186261230.db2.gz KYUHPFWFPNGKEA-UHFFFAOYSA-N 1 0 288.322 2.223 10 0 CEAERO c1ccc(C[C@@H]2CSC(N[C@H]3CCCOC3)=[NH+]2)cc1 ZINC000109548878 186262358 /nfs/dbraw/zinc/26/23/58/186262358.db2.gz MCZWEECRIFYCSV-UONOGXRCSA-N 1 0 276.405 2.469 10 0 CEAERO COc1cc([C@@H](C)[NH3+])ccc1O[C@H]1CCCC[C@H]1O ZINC000109562126 186263768 /nfs/dbraw/zinc/26/37/68/186263768.db2.gz VVRWNHSTXDVWPT-RTXFEEFZSA-N 1 0 265.353 2.397 10 0 CEAERO CC[NH2+][C@H]1c2ccc(OCCOC(C)C)cc2NC1=O ZINC000109574051 186264097 /nfs/dbraw/zinc/26/40/97/186264097.db2.gz ARHIRSBGNSCXGG-AWEZNQCLSA-N 1 0 278.352 2.093 10 0 CEAERO CC[NH2+][C@@H]1CCOC[C@@H]1N(CCC(C)C)C1CC1 ZINC000109623870 186268712 /nfs/dbraw/zinc/26/87/12/186268712.db2.gz SFCBWSFGRSGXNE-CABCVRRESA-N 1 0 254.418 2.264 10 0 CEAERO c1ccc2c(c1)Cc1sc(CN3CC[NH2+]CC3)nc1-2 ZINC000109432415 186252391 /nfs/dbraw/zinc/25/23/91/186252391.db2.gz JKOYPZYQRDUIPM-UHFFFAOYSA-N 1 0 271.389 2.120 10 0 CEAERO CC[C@@H](C[NH3+])N1CCN(C(=O)C[C@H](C)CC(C)(C)C)CC1 ZINC000109448803 186253043 /nfs/dbraw/zinc/25/30/43/186253043.db2.gz XUGXVHSTWHWCJS-GJZGRUSLSA-N 1 0 297.487 2.330 10 0 CEAERO CCC[C@@H](c1nc(C)cc(C2CC2)n1)N1CC[NH2+]CC1 ZINC000109476125 186254960 /nfs/dbraw/zinc/25/49/60/186254960.db2.gz KMMWZWXAHDLBOJ-HNNXBMFYSA-N 1 0 274.412 2.409 10 0 CEAERO Cc1cc(-c2nc([C@@H](C)N3CC[NH2+]CC3)no2)ccc1F ZINC000109474277 186255151 /nfs/dbraw/zinc/25/51/51/186255151.db2.gz JPKUWUNLJQYKMS-LLVKDONJSA-N 1 0 290.342 2.150 10 0 CEAERO C[C@@H]([NH3+])C1CCN(Cc2nnc(-c3cccs3)o2)CC1 ZINC000110650133 186310102 /nfs/dbraw/zinc/31/01/02/186310102.db2.gz IUBLEVYXMUEMHR-SNVBAGLBSA-N 1 0 292.408 2.357 10 0 CEAERO Cc1nnc(SCC[NH2+]CCc2cccs2)n1C ZINC000110250089 186288868 /nfs/dbraw/zinc/28/88/68/186288868.db2.gz GBIQYOKTIVCRNO-UHFFFAOYSA-N 1 0 282.438 2.109 10 0 CEAERO C[NH+](C)[C@H]1CCN(c2nc(C(C)(C)C)c(C=O)s2)C1 ZINC000110272179 186289744 /nfs/dbraw/zinc/28/97/44/186289744.db2.gz ZRQZOVNIBRLVKT-JTQLQIEISA-N 1 0 281.425 2.393 10 0 CEAERO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cccc(N)c2)C1 ZINC000110380157 186294127 /nfs/dbraw/zinc/29/41/27/186294127.db2.gz OVTXEKBMJUDCKE-AWEZNQCLSA-N 1 0 276.384 2.217 10 0 CEAERO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cccc(N)c2)C1 ZINC000110380154 186294925 /nfs/dbraw/zinc/29/49/25/186294925.db2.gz OVTXEKBMJUDCKE-CQSZACIVSA-N 1 0 276.384 2.217 10 0 CEAERO CCC[NH2+][C@H](C)Cc1nc(-c2ncccc2C)no1 ZINC000110445010 186296424 /nfs/dbraw/zinc/29/64/24/186296424.db2.gz FFYJDLLUONMVAW-LLVKDONJSA-N 1 0 260.341 2.371 10 0 CEAERO C[C@H]([NH2+]CCN(C)C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000110550898 186302887 /nfs/dbraw/zinc/30/28/87/186302887.db2.gz RMLIKVCSPZROHA-UONOGXRCSA-N 1 0 299.459 2.173 10 0 CEAERO [NH3+]CC1CCC(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000110617760 186305378 /nfs/dbraw/zinc/30/53/78/186305378.db2.gz YMTGSUOGXMJEOH-CKUJCDMFSA-N 1 0 294.439 2.312 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1sccc1C)N1CCNC(=O)C1(C)C ZINC000110653809 186310921 /nfs/dbraw/zinc/31/09/21/186310921.db2.gz HGAUECIIQCTLQU-NWDGAFQWSA-N 1 0 295.452 2.045 10 0 CEAERO CCCC[C@@H](CC)C(=O)NC1CC[NH+](CC(N)=S)CC1 ZINC000110825813 186327655 /nfs/dbraw/zinc/32/76/55/186327655.db2.gz DUWCWSLHJNDUFA-GFCCVEGCSA-N 1 0 299.484 2.070 10 0 CEAERO C[C@H]1C[C@H](C(=O)N(C)CC2CCCC2)CC[C@@H]1[NH3+] ZINC000110848185 186329481 /nfs/dbraw/zinc/32/94/81/186329481.db2.gz CARYIHBXGDGIMB-YUTCNCBUSA-N 1 0 252.402 2.399 10 0 CEAERO C[C@H](c1nc2ccccc2n1C)N(C)[C@@H]1CCC[NH2+]C1 ZINC000110926591 186333480 /nfs/dbraw/zinc/33/34/80/186333480.db2.gz RNZFKPCASHJQIS-CHWSQXEVSA-N 1 0 272.396 2.318 10 0 CEAERO C[C@@H](c1ccc2c(c1)OCCO2)N(C)[C@@H]1CCC[NH2+]C1 ZINC000110926650 186333989 /nfs/dbraw/zinc/33/39/89/186333989.db2.gz WJBRNBCWYQDDHO-GXTWGEPZSA-N 1 0 276.380 2.203 10 0 CEAERO CCN(C(=O)c1sccc1C)[C@@H]1CCC[NH2+]C1 ZINC000110939614 186334490 /nfs/dbraw/zinc/33/44/90/186334490.db2.gz VUIHHRMAVWJPDK-LLVKDONJSA-N 1 0 252.383 2.271 10 0 CEAERO CCN(Cc1cccc(OC)c1OC)[C@H]1CCC[NH2+]C1 ZINC000110936119 186334689 /nfs/dbraw/zinc/33/46/89/186334689.db2.gz BNFDNECQBOWSSY-AWEZNQCLSA-N 1 0 278.396 2.278 10 0 CEAERO CCN(C(=O)c1ccc(C)s1)[C@@H]1CCC[NH2+]C1 ZINC000110939865 186335015 /nfs/dbraw/zinc/33/50/15/186335015.db2.gz NUHLJIKKTQIHDR-LLVKDONJSA-N 1 0 252.383 2.271 10 0 CEAERO CCN(c1ncnc2ccsc21)[C@@H]1CCC[NH2+]C1 ZINC000110946913 186335469 /nfs/dbraw/zinc/33/54/69/186335469.db2.gz MFOLGOZIISDYIC-SNVBAGLBSA-N 1 0 262.382 2.270 10 0 CEAERO CCN(c1cc(C)nc(C(C)C)n1)[C@@H]1CCC[NH2+]C1 ZINC000110947245 186335732 /nfs/dbraw/zinc/33/57/32/186335732.db2.gz YWWFUHSWFZVJMK-CYBMUJFWSA-N 1 0 262.401 2.487 10 0 CEAERO CCCNC(=O)COc1cc(C)ccc1[C@@H](C)[NH2+]C ZINC000110959562 186336536 /nfs/dbraw/zinc/33/65/36/186336536.db2.gz MIWSHKKSNHYJGX-GFCCVEGCSA-N 1 0 264.369 2.180 10 0 CEAERO Cc1ccc([C@H](C)[NH3+])c(O[C@H](C)C(=O)NC2CC2)c1 ZINC000110958224 186336845 /nfs/dbraw/zinc/33/68/45/186336845.db2.gz RCMVNAHKZWQWNK-WDEREUQCSA-N 1 0 262.353 2.061 10 0 CEAERO CC[C@@H]1CN([C@@H](C[NH3+])c2ccc(C)c(F)c2)CCO1 ZINC000110977100 186339234 /nfs/dbraw/zinc/33/92/34/186339234.db2.gz JPAUEQAQKAPKTQ-HIFRSBDPSA-N 1 0 266.360 2.245 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Oc1ccccc1CO)C(F)(F)F ZINC000110993327 186340714 /nfs/dbraw/zinc/34/07/14/186340714.db2.gz CXTLHCRKDTYHQJ-KOLCDFICSA-N 1 0 263.259 2.226 10 0 CEAERO C[C@H]1C[N@H+](CCCC(=O)c2ccc(F)cc2)CCN1C ZINC000110727243 186317505 /nfs/dbraw/zinc/31/75/05/186317505.db2.gz AYJJSQPDYRPWFD-ZDUSSCGKSA-N 1 0 278.371 2.425 10 0 CEAERO CC[C@@H]1CN(Cc2cc3ccccc3nc2N)CC[N@@H+]1C ZINC000110742874 186319363 /nfs/dbraw/zinc/31/93/63/186319363.db2.gz KGTQEJCKRPSXGG-OAHLLOKOSA-N 1 0 284.407 2.343 10 0 CEAERO C[N@@H+]1CCN(c2nc(C(C)(C)C)c(CO)s2)CC1(C)C ZINC000110760527 186322404 /nfs/dbraw/zinc/32/24/04/186322404.db2.gz GPMAUTXWXVPHSI-UHFFFAOYSA-N 1 0 297.468 2.463 10 0 CEAERO CCOC(CC[N@@H+]1CCC[C@@H]1CCCO)OCC ZINC000110785916 186323928 /nfs/dbraw/zinc/32/39/28/186323928.db2.gz XMMAJSAMQTUCIQ-CYBMUJFWSA-N 1 0 259.390 2.013 10 0 CEAERO CCOc1cc(N[C@@H](C)CC[NH+](C)C)ccc1N ZINC000111052935 186348707 /nfs/dbraw/zinc/34/87/07/186348707.db2.gz LWDBDRPKJACMIH-NSHDSACASA-N 1 0 251.374 2.420 10 0 CEAERO O=C1CC[C@H]([NH2+][C@H]2CCSc3c(F)cccc32)CN1 ZINC000111018067 186343839 /nfs/dbraw/zinc/34/38/39/186343839.db2.gz UPJFBHJUABMAQM-CABZTGNLSA-N 1 0 280.368 2.231 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CNc1ccc(F)cc1C(N)=S ZINC000111029970 186346532 /nfs/dbraw/zinc/34/65/32/186346532.db2.gz IOVKIXHBJLCOBA-LLVKDONJSA-N 1 0 281.400 2.356 10 0 CEAERO Cc1cc(Sc2ccc(F)cc2C(N)=[NH2+])n(C)n1 ZINC000111035658 186346735 /nfs/dbraw/zinc/34/67/35/186346735.db2.gz WEFOPCHPEGHOAM-UHFFFAOYSA-N 1 0 264.329 2.303 10 0 CEAERO CCc1c(C)nn(-c2ccc(F)cc2C(N)=[NH2+])c1C ZINC000111034928 186346968 /nfs/dbraw/zinc/34/69/68/186346968.db2.gz SYJCMARNTUMWDN-UHFFFAOYSA-N 1 0 260.316 2.475 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccccn1)N(C)C[C@@H]1CCCOC1 ZINC000111154176 186361216 /nfs/dbraw/zinc/36/12/16/186361216.db2.gz BWFAMOVHZPDHSH-LZWOXQAQSA-N 1 0 277.412 2.218 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccccn1)N(C)CC1CCOCC1 ZINC000111155604 186361699 /nfs/dbraw/zinc/36/16/99/186361699.db2.gz HTLHBYRVYIKJEP-HOCLYGCPSA-N 1 0 277.412 2.218 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccco1)N(C)CC1CCOCC1 ZINC000111155870 186361979 /nfs/dbraw/zinc/36/19/79/186361979.db2.gz FCOZQLWLSNATLR-HIFRSBDPSA-N 1 0 266.385 2.416 10 0 CEAERO CCOc1ccc([C@H](CN)[N@H+](C)CC2CCOCC2)cc1 ZINC000111160042 186362084 /nfs/dbraw/zinc/36/20/84/186362084.db2.gz MJCVHACONGKEIH-KRWDZBQOSA-N 1 0 292.423 2.444 10 0 CEAERO CCOc1ccccc1[C@@H](N)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000111160764 186362402 /nfs/dbraw/zinc/36/24/02/186362402.db2.gz IKVDZXVJEVKEQV-HOCLYGCPSA-N 1 0 292.423 2.444 10 0 CEAERO [NH3+]Cc1ccc(CC(=O)NC[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000111075914 186351112 /nfs/dbraw/zinc/35/11/12/186351112.db2.gz VXJGJXZEOJGDTG-XHSDSOJGSA-N 1 0 272.392 2.240 10 0 CEAERO CCOCCN(CC)[C@@H]1COc2ccccc2[C@@H]1[NH2+]C ZINC000111118924 186354438 /nfs/dbraw/zinc/35/44/38/186354438.db2.gz VRHMOGSHJPNJMU-ZBFHGGJFSA-N 1 0 278.396 2.067 10 0 CEAERO COc1cc(C[NH2+]CC2CC(O)C2)c(SC)cc1OC ZINC000091424586 539806523 /nfs/dbraw/zinc/80/65/23/539806523.db2.gz QNSJNSRFPWPEBY-UHFFFAOYSA-N 1 0 297.420 2.286 10 0 CEAERO CCOCCN(CC)[C@H](C[NH3+])c1ccc(C)cc1 ZINC000111117046 186354546 /nfs/dbraw/zinc/35/45/46/186354546.db2.gz SXQJRQYDDBQCGR-OAHLLOKOSA-N 1 0 250.386 2.353 10 0 CEAERO CCOCCN(CC)c1ccc(F)cc1C[NH2+]CCOC ZINC000111120770 186354912 /nfs/dbraw/zinc/35/49/12/186354912.db2.gz XJXUIEXCOPCSCW-UHFFFAOYSA-N 1 0 298.402 2.425 10 0 CEAERO C[N@H+](CC1CCOCC1)[C@H]1Cc2ccccc2[C@@H]1O ZINC000111168831 186363422 /nfs/dbraw/zinc/36/34/22/186363422.db2.gz JZJORKQLJHCVCR-HOTGVXAUSA-N 1 0 261.365 2.003 10 0 CEAERO CN(CCC[NH+](C)C)c1cccc(Cl)c1C(N)=S ZINC000111139031 186357692 /nfs/dbraw/zinc/35/76/92/186357692.db2.gz QTUKXBMFKZFWDV-UHFFFAOYSA-N 1 0 285.844 2.362 10 0 CEAERO COc1cccc([C@@H]([C@@H](C)[NH3+])N(C)C[C@@H]2CCCOC2)c1 ZINC000111154622 186360101 /nfs/dbraw/zinc/36/01/01/186360101.db2.gz BCSQAZUBAGCSNV-JKIFEVAISA-N 1 0 292.423 2.442 10 0 CEAERO C[NH2+]C1CCC(NC(=O)[C@H]2CCOc3ccccc32)CC1 ZINC000111186218 186367880 /nfs/dbraw/zinc/36/78/80/186367880.db2.gz HLNSNPANWIODKP-PIMMBPRGSA-N 1 0 288.391 2.200 10 0 CEAERO CCNc1ncccc1C[N@H+](C)CC1CCOCC1 ZINC000111170918 186364796 /nfs/dbraw/zinc/36/47/96/186364796.db2.gz FTUUANSUNPYCSK-UHFFFAOYSA-N 1 0 263.385 2.372 10 0 CEAERO O=C(NCC[C@@H]1CCCC[NH2+]1)[C@@H]1CCOc2ccccc21 ZINC000111186356 186367332 /nfs/dbraw/zinc/36/73/32/186367332.db2.gz UZNXXCPJHAQLOG-DZGCQCFKSA-N 1 0 288.391 2.201 10 0 CEAERO C[C@H]1CCC[C@H](CNC(=O)[C@@H]2CCOc3ccccc32)[NH2+]1 ZINC000111186398 186367354 /nfs/dbraw/zinc/36/73/54/186367354.db2.gz QCPWTMLNWGJIHJ-GZBFAFLISA-N 1 0 288.391 2.200 10 0 CEAERO CN(C)c1nnc(SCc2ccc(C[NH3+])cc2)s1 ZINC000111316263 186395878 /nfs/dbraw/zinc/39/58/78/186395878.db2.gz GKMFTZPJKFXPQO-UHFFFAOYSA-N 1 0 280.422 2.355 10 0 CEAERO C[C@@H]1c2ccsc2CCN1[C@@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111321033 186396900 /nfs/dbraw/zinc/39/69/00/186396900.db2.gz JNEJQULJKRWVNP-BZPMIXESSA-N 1 0 280.437 2.421 10 0 CEAERO [NH3+]CC[C@@H]1CN(C[C@@H]2CCCOC2)c2ccccc21 ZINC000111322139 186396955 /nfs/dbraw/zinc/39/69/55/186396955.db2.gz BMSTZDYNXNLEQU-UONOGXRCSA-N 1 0 260.381 2.366 10 0 CEAERO CCC1(C)CC[NH+]([C@H](CN)[C@H]2CCCOC2)CC1 ZINC000111321261 186397293 /nfs/dbraw/zinc/39/72/93/186397293.db2.gz DJRHYUJSQFWNFA-UONOGXRCSA-N 1 0 254.418 2.252 10 0 CEAERO CC[N@H+]([C@H](CN)[C@@H]1CCCOC1)C1CCCCC1 ZINC000111320562 186397314 /nfs/dbraw/zinc/39/73/14/186397314.db2.gz KENZNBSHFKZPDP-UKRRQHHQSA-N 1 0 254.418 2.395 10 0 CEAERO CCC[NH2+]C[C@@]1(CN(C)Cc2ccccn2)CCCOC1 ZINC000111325511 186398358 /nfs/dbraw/zinc/39/83/58/186398358.db2.gz LSWOGUFOQHAXKA-QGZVFWFLSA-N 1 0 291.439 2.310 10 0 CEAERO CC(C)[NH2+]C[C@]1(CN(C)CC(F)(F)F)CCCOC1 ZINC000111325925 186398848 /nfs/dbraw/zinc/39/88/48/186398848.db2.gz YSMVNQQCSUARQR-LBPRGKRZSA-N 1 0 282.350 2.275 10 0 CEAERO CC(C)[NH2+]C[C@@]1(CN(C)Cc2ccncc2)CCCOC1 ZINC000111325739 186398985 /nfs/dbraw/zinc/39/89/85/186398985.db2.gz MWAJGKIEPZFSEI-QGZVFWFLSA-N 1 0 291.439 2.308 10 0 CEAERO C[N@H+](CC1CCCCC1)C[C@]1(CO)CCCOC1 ZINC000111331562 186399986 /nfs/dbraw/zinc/39/99/86/186399986.db2.gz ZSNKYUBNHAKCQE-HNNXBMFYSA-N 1 0 255.402 2.288 10 0 CEAERO c1ncn([C@H]2CCC[N@@H+](Cc3ccc4c(c3)CCO4)C2)n1 ZINC000111229506 186372238 /nfs/dbraw/zinc/37/22/38/186372238.db2.gz HEMRRVRMIDYWDP-HNNXBMFYSA-N 1 0 284.363 2.050 10 0 CEAERO Cc1nnc([C@]2(C(F)(F)F)CC[NH2+]C2)n1C1CCCC1 ZINC000111241390 186374107 /nfs/dbraw/zinc/37/41/07/186374107.db2.gz CFGLXYAMOQJNSF-LBPRGKRZSA-N 1 0 288.317 2.495 10 0 CEAERO CCOCCN(CC)c1ncccc1C[NH2+]C1CC1 ZINC000111238918 186374192 /nfs/dbraw/zinc/37/41/92/186374192.db2.gz DPFGUETYFYSSPT-UHFFFAOYSA-N 1 0 263.385 2.196 10 0 CEAERO CC(C)N(CC1CC1)C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111246462 186375615 /nfs/dbraw/zinc/37/56/15/186375615.db2.gz OGRNIEKOCRNABU-GFCCVEGCSA-N 1 0 278.318 2.175 10 0 CEAERO CCCCCN(C)C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111243586 186376035 /nfs/dbraw/zinc/37/60/35/186376035.db2.gz SZTPOANLRCKYQB-LLVKDONJSA-N 1 0 266.307 2.177 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc2ncccc21 ZINC000111263008 186380436 /nfs/dbraw/zinc/38/04/36/186380436.db2.gz SSWYEZXSTRQOMM-CMPLNLGQSA-N 1 0 255.321 2.029 10 0 CEAERO COc1ccc(C)cc1[C@H](C)NC(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000111265224 186381410 /nfs/dbraw/zinc/38/14/10/186381410.db2.gz HRBBVFMDQOIWRG-OBJOEFQTSA-N 1 0 276.380 2.036 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCSc2ccccc21 ZINC000111264516 186381562 /nfs/dbraw/zinc/38/15/62/186381562.db2.gz OUNMSIJRIQQNDM-CYZMBNFOSA-N 1 0 276.405 2.195 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000111265301 186382048 /nfs/dbraw/zinc/38/20/48/186382048.db2.gz GLTCUVROEUOBII-CABZTGNLSA-N 1 0 285.347 2.499 10 0 CEAERO CCOCc1ccccc1NC(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000111264309 186382121 /nfs/dbraw/zinc/38/21/21/186382121.db2.gz MBHCELHIIAZQME-YPMHNXCESA-N 1 0 262.353 2.017 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@@H]1c1cccs1 ZINC000111268057 186382623 /nfs/dbraw/zinc/38/26/23/186382623.db2.gz GATHRXPRXAGWCF-QJPTWQEYSA-N 1 0 264.394 2.267 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)N(C)Cc1cccc(Cl)c1 ZINC000111267989 186383160 /nfs/dbraw/zinc/38/31/60/186383160.db2.gz NENCMRBSRXVKEU-GXFFZTMASA-N 1 0 266.772 2.154 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N(C)CCOc1cccc(Cl)c1 ZINC000111268326 186384014 /nfs/dbraw/zinc/38/40/14/186384014.db2.gz MENIKLOKCBHHQK-RISCZKNCSA-N 1 0 296.798 2.033 10 0 CEAERO COc1ccc([C@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2C)C2CC2)cc1 ZINC000111271596 186384158 /nfs/dbraw/zinc/38/41/58/186384158.db2.gz LSQCLMNFEPAQIP-KNXALSJPSA-N 1 0 288.391 2.118 10 0 CEAERO CC(C)c1ccc(CNC(=O)[C@@H]2C[NH2+]C[C@@H]2C)cc1 ZINC000111272110 186384694 /nfs/dbraw/zinc/38/46/94/186384694.db2.gz YOXALCVQIYESHL-SWLSCSKDSA-N 1 0 260.381 2.282 10 0 CEAERO C[C@H]1CCC[C@H](N(C)C(=O)c2ccc(C[NH3+])cn2)C1 ZINC000111281753 186387830 /nfs/dbraw/zinc/38/78/30/186387830.db2.gz DUJCWYDPAZAKRN-AAEUAGOBSA-N 1 0 261.369 2.191 10 0 CEAERO C[C@H]1CCCN(c2nc3sccn3c2CC[NH3+])C1 ZINC000111477908 186421722 /nfs/dbraw/zinc/42/17/22/186421722.db2.gz JOURBUVSGCLMCZ-JTQLQIEISA-N 1 0 264.398 2.133 10 0 CEAERO CC[C@@H]([NH3+])Cc1c(C)nn(C)c1N(C)Cc1ccco1 ZINC000111492857 186424114 /nfs/dbraw/zinc/42/41/14/186424114.db2.gz JSZGLDISDPAQBB-GFCCVEGCSA-N 1 0 276.384 2.238 10 0 CEAERO CC[C@@H]([NH3+])Cc1c(C)nn(C)c1N1C[C@H](C)C[C@H](C)C1 ZINC000111489419 186424211 /nfs/dbraw/zinc/42/42/11/186424211.db2.gz WSEMSWHFXQAUJQ-MBNYWOFBSA-N 1 0 278.444 2.491 10 0 CEAERO CC[C@@H]([NH3+])Cc1c(C)nn(C)c1N(C)CC(C)(C)C ZINC000111508744 186424800 /nfs/dbraw/zinc/42/48/00/186424800.db2.gz DLYIVOABJGNDTJ-GFCCVEGCSA-N 1 0 266.433 2.491 10 0 CEAERO COCCCN(C)c1c(F)cc(C[C@H](C)[NH3+])cc1F ZINC000111499616 186425408 /nfs/dbraw/zinc/42/54/08/186425408.db2.gz IVQZURXNMJYYAO-JTQLQIEISA-N 1 0 272.339 2.327 10 0 CEAERO CC(C)c1ccn(-c2nc3ccccn3c2CC[NH3+])n1 ZINC000111513910 186425723 /nfs/dbraw/zinc/42/57/23/186425723.db2.gz FPVYESIABSIAKI-UHFFFAOYSA-N 1 0 269.352 2.145 10 0 CEAERO Cc1ccn(-c2c(F)cc(C[C@H](C)[NH3+])cc2F)n1 ZINC000111513640 186426177 /nfs/dbraw/zinc/42/61/77/186426177.db2.gz SCNCZTFBQHALRD-QMMMGPOBSA-N 1 0 251.280 2.349 10 0 CEAERO COc1cc(C)ccc1Oc1c(CC[NH3+])c(C)nn1C ZINC000111515513 186426367 /nfs/dbraw/zinc/42/63/67/186426367.db2.gz SPDSXPOLCDFSGR-UHFFFAOYSA-N 1 0 275.352 2.339 10 0 CEAERO CCCn1c(Sc2ccccc2C[C@H](C)[NH3+])n[nH]c1=O ZINC000111585835 186430173 /nfs/dbraw/zinc/43/01/73/186430173.db2.gz BTGZSOFTOBDYCR-JTQLQIEISA-N 1 0 292.408 2.022 10 0 CEAERO Cc1nnc(Sc2nc3sccn3c2C[C@@H](C)[NH3+])o1 ZINC000111585416 186430240 /nfs/dbraw/zinc/43/02/40/186430240.db2.gz PRYJSHUJCCYHMP-ZCFIWIBFSA-N 1 0 295.393 2.128 10 0 CEAERO Cc1ncsc1CN(C)c1ccc(C(N)=[NH2+])cc1 ZINC000111669579 186439652 /nfs/dbraw/zinc/43/96/52/186439652.db2.gz MEJBUOWQBDOTEP-UHFFFAOYSA-N 1 0 260.366 2.372 10 0 CEAERO C[NH2+][C@H](Cc1nc(-c2cc(C)ccn2)no1)C(C)C ZINC000111682775 186442153 /nfs/dbraw/zinc/44/21/53/186442153.db2.gz JGVRCKLUOLNHFX-LLVKDONJSA-N 1 0 260.341 2.227 10 0 CEAERO Cn1c(Cl)cnc1CN1CCCC[C@H]1C[NH2+]C1CC1 ZINC000111703554 186447193 /nfs/dbraw/zinc/44/71/93/186447193.db2.gz QYMNMNZRBULUAR-LBPRGKRZSA-N 1 0 282.819 2.180 10 0 CEAERO C[C@@H]1CCC[C@H](NC(=O)CCOC2CC[NH2+]CC2)[C@@H]1C ZINC000111799717 186458699 /nfs/dbraw/zinc/45/86/99/186458699.db2.gz NADZVIWBHCBUEX-NFAWXSAZSA-N 1 0 282.428 2.086 10 0 CEAERO CCC(CC)(C[NH3+])Nc1ccc(C(N)=O)c(Cl)c1 ZINC000111833024 186462168 /nfs/dbraw/zinc/46/21/68/186462168.db2.gz ITSQKWXVGPJURO-UHFFFAOYSA-N 1 0 269.776 2.368 10 0 CEAERO [NH3+][C@H]1Cc2ccccc2[C@@H]1NC(=O)c1ccc(F)cc1F ZINC000111367211 186406883 /nfs/dbraw/zinc/40/68/83/186406883.db2.gz LPUFUDZEOVMGME-GJZGRUSLSA-N 1 0 288.297 2.319 10 0 CEAERO CCC(CC)N(CC[NH3+])C(=O)c1ccc(OC)c(F)c1 ZINC000111368745 186407350 /nfs/dbraw/zinc/40/73/50/186407350.db2.gz IJYOFGNXWHMKOD-UHFFFAOYSA-N 1 0 282.359 2.424 10 0 CEAERO COc1ccccc1C(=O)N[C@@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000111369504 186407720 /nfs/dbraw/zinc/40/77/20/186407720.db2.gz CTXOZGXYRMSNMI-WBMJQRKESA-N 1 0 276.380 2.333 10 0 CEAERO Cc1occc1C(=O)N[C@]1(C[NH3+])CCC[C@H](C)C1 ZINC000111369781 186407818 /nfs/dbraw/zinc/40/78/18/186407818.db2.gz DILRHXAYKMCJFH-IINYFYTJSA-N 1 0 250.342 2.225 10 0 CEAERO CCCc1cc(N(CC[NH3+])C(CC)CC)ncn1 ZINC000111378193 186409842 /nfs/dbraw/zinc/40/98/42/186409842.db2.gz QACXWBTUEXJULA-UHFFFAOYSA-N 1 0 250.390 2.383 10 0 CEAERO [NH3+]CC1(N2C(=O)C[C@H](c3ccccc3)C2=O)CCCCC1 ZINC000111382430 186410258 /nfs/dbraw/zinc/41/02/58/186410258.db2.gz WVACLKWJRWFYGN-CQSZACIVSA-N 1 0 286.375 2.191 10 0 CEAERO C[C@H]1CCC[C@](C[NH3+])(N2C(=O)CC(C)(C)CC2=O)C1 ZINC000111382442 186410824 /nfs/dbraw/zinc/41/08/24/186410824.db2.gz WXFAMXYUBZFFBV-NHYWBVRUSA-N 1 0 266.385 2.069 10 0 CEAERO CCC[NH2+]C1CCN(c2cc(CC)nc(C)n2)CC1 ZINC000088759709 535158083 /nfs/dbraw/zinc/15/80/83/535158083.db2.gz ALLVLUBKQDEOPJ-UHFFFAOYSA-N 1 0 262.401 2.316 10 0 CEAERO COc1ccccc1C[C@H](C)N(C)[C@@H]1CCC[NH2+]C1 ZINC000113275399 186567819 /nfs/dbraw/zinc/56/78/19/186567819.db2.gz DKZFKBOFXBJWTQ-DZGCQCFKSA-N 1 0 262.397 2.310 10 0 CEAERO CCCCOC[C@@H](O)C[NH2+]C[C@H]1CCCC12CC2 ZINC000629618056 351433155 /nfs/dbraw/zinc/43/31/55/351433155.db2.gz IEBXZLWQYIKMLQ-KGLIPLIRSA-N 1 0 255.402 2.334 10 0 CEAERO CO[C@@H]1CN(C(=O)c2cc(Cl)ccc2C)[C@](C)(C[NH3+])C1 ZINC000630376294 351716610 /nfs/dbraw/zinc/71/66/10/351716610.db2.gz VTUNEEHVGSVDAO-WFASDCNBSA-N 1 0 296.798 2.227 10 0 CEAERO [NH3+][C@@H]1CCCN(c2nccn3nc(-c4cccs4)cc23)C1 ZINC000070459305 363087520 /nfs/dbraw/zinc/08/75/20/363087520.db2.gz VKRPHJUYNHERKE-LLVKDONJSA-N 1 0 299.403 2.385 10 0 CEAERO CCc1c(C)nc(-c2cccnc2)nc1N1CCC([NH3+])CC1 ZINC000070451856 363084181 /nfs/dbraw/zinc/08/41/81/363084181.db2.gz SODDCCUOQTUJPS-UHFFFAOYSA-N 1 0 297.406 2.337 10 0 CEAERO CC(C)OC1CCC(NC(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000151976726 539822511 /nfs/dbraw/zinc/82/25/11/539822511.db2.gz YQRGNBWHLBUEIE-SHARSMKWSA-N 1 0 297.443 2.068 10 0 CEAERO Cc1nc(NCC2CC[NH2+]CC2)cc(-c2ccncc2)n1 ZINC000070456074 363085097 /nfs/dbraw/zinc/08/50/97/363085097.db2.gz GUPPRLOWZGEUCP-UHFFFAOYSA-N 1 0 283.379 2.259 10 0 CEAERO CO[C@@H]1CN(CCOc2cccc(Cl)c2)[C@](C)(C[NH3+])C1 ZINC000630359309 351711219 /nfs/dbraw/zinc/71/12/19/351711219.db2.gz FNEKESSXOFEYIZ-GJZGRUSLSA-N 1 0 298.814 2.157 10 0 CEAERO CO[C@@H]1CN(Cc2ccc(Cl)s2)[C@](C)(C[NH3+])C1 ZINC000630361132 351711713 /nfs/dbraw/zinc/71/17/13/351711713.db2.gz LYKKSAXSIFLMDU-CABZTGNLSA-N 1 0 274.817 2.340 10 0 CEAERO CO[C@H]1CN(Cc2c(C)cccc2C)[C@](C)(C[NH3+])C1 ZINC000630361693 351711773 /nfs/dbraw/zinc/71/17/73/351711773.db2.gz VEWBPDCSVNPKHN-ZBFHGGJFSA-N 1 0 262.397 2.242 10 0 CEAERO CC[C@H](CC(=O)N1C[C@H](OC)C[C@@]1(C)C[NH3+])C(C)(C)C ZINC000630376089 351716074 /nfs/dbraw/zinc/71/60/74/351716074.db2.gz SWYXFVOECJRGGI-IOASZLSFSA-N 1 0 284.444 2.414 10 0 CEAERO C[C@H]1CC[C@H](Nc2ccc(Br)cn2)C[NH2+]1 ZINC000630535558 351775822 /nfs/dbraw/zinc/77/58/22/351775822.db2.gz WCTPTJLVIWLAPY-WPRPVWTQSA-N 1 0 270.174 2.397 10 0 CEAERO CCCc1nsc(N2CCCCC[C@H]([NH3+])C2)n1 ZINC000630549990 351780688 /nfs/dbraw/zinc/78/06/88/351780688.db2.gz RPJDHZJCQCYRNK-JTQLQIEISA-N 1 0 254.403 2.198 10 0 CEAERO C[C@H]1CN(C(=O)Nc2ccc(F)cc2F)C[C@@H]1C[NH3+] ZINC000630581543 351791990 /nfs/dbraw/zinc/79/19/90/351791990.db2.gz KZXRDFHMNMJVTO-IUCAKERBSA-N 1 0 269.295 2.023 10 0 CEAERO C[C@@H]1CN(C(=O)Nc2ccccc2Cl)C[C@@H]1C[NH3+] ZINC000630581050 351792032 /nfs/dbraw/zinc/79/20/32/351792032.db2.gz GMWZIKFUCHKUTK-ZJUUUORDSA-N 1 0 267.760 2.399 10 0 CEAERO [NH3+]C1(CNc2cccc(C(F)(F)F)n2)CCOCC1 ZINC000630524381 351772127 /nfs/dbraw/zinc/77/21/27/351772127.db2.gz NCFLIFDLMQHQAE-UHFFFAOYSA-N 1 0 275.274 2.020 10 0 CEAERO CCC[C@@H](C(=O)NCc1ncc(CC)s1)[NH+](C)C ZINC000121906319 187004234 /nfs/dbraw/zinc/00/42/34/187004234.db2.gz FTDYNNMMUOAXPP-NSHDSACASA-N 1 0 269.414 2.052 10 0 CEAERO CCOC(=O)c1cccc(NC(=O)[C@@]2(CC)CCC[NH2+]2)c1 ZINC000121965929 187007899 /nfs/dbraw/zinc/00/78/99/187007899.db2.gz ZFQBECVPDKWCIT-MRXNPFEDSA-N 1 0 290.363 2.334 10 0 CEAERO CC(=O)Nc1ccc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000070573944 363096705 /nfs/dbraw/zinc/09/67/05/363096705.db2.gz UNLJGXVEPRJBJK-NWDGAFQWSA-N 1 0 275.352 2.101 10 0 CEAERO CC[C@@](C)(O)C[N@H+](C)CCOc1ccc(F)cc1 ZINC000123234213 187079865 /nfs/dbraw/zinc/07/98/65/187079865.db2.gz WIEXANCWGFKCOI-CQSZACIVSA-N 1 0 255.333 2.297 10 0 CEAERO COc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CCOCC2)c(F)c1 ZINC000123253811 187080904 /nfs/dbraw/zinc/08/09/04/187080904.db2.gz UWTNSSCQQUFOIU-OLZOCXBDSA-N 1 0 296.386 2.206 10 0 CEAERO CC(C)=CCC[C@@H](C)[NH2+]C[C@H](C)N1CCOCC1 ZINC000123309448 187084412 /nfs/dbraw/zinc/08/44/12/187084412.db2.gz XEXNSQOUHWCHNB-CABCVRRESA-N 1 0 254.418 2.432 10 0 CEAERO C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1cccnc1Cl ZINC000123322268 187085159 /nfs/dbraw/zinc/08/51/59/187085159.db2.gz MUSXTMQECYDMGX-NWDGAFQWSA-N 1 0 283.803 2.106 10 0 CEAERO CCc1ncsc1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CC ZINC000123645278 187102560 /nfs/dbraw/zinc/10/25/60/187102560.db2.gz LBCXFYQUENCEKF-RYUDHWBXSA-N 1 0 293.436 2.404 10 0 CEAERO OC[C@H]1C[N@H+](C[C@H]2Cc3ccccc32)CCC1(F)F ZINC000291953047 198116162 /nfs/dbraw/zinc/11/61/62/198116162.db2.gz UPWXNEFKGBIKBN-CHWSQXEVSA-N 1 0 267.319 2.276 10 0 CEAERO Cc1occc1CN(C)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000070577791 363098387 /nfs/dbraw/zinc/09/83/87/363098387.db2.gz BZISKHSAKKYIHT-YPMHNXCESA-N 1 0 250.342 2.064 10 0 CEAERO CCCN(CC(F)(F)F)C(=O)C[C@@H]([NH3+])C(C)C ZINC000148567327 539830441 /nfs/dbraw/zinc/83/04/41/539830441.db2.gz MZLCIIOZXAHHRF-SECBINFHSA-N 1 0 254.296 2.161 10 0 CEAERO C[C@H](NC(=O)COCC[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000093231866 539846039 /nfs/dbraw/zinc/84/60/39/539846039.db2.gz VPBQKRORUZWCON-QMMMGPOBSA-N 1 0 291.178 2.146 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCc2ccccc2CC1 ZINC000094648569 539884449 /nfs/dbraw/zinc/88/44/49/539884449.db2.gz RNHRDLZRKZWJKB-BBRMVZONSA-N 1 0 272.392 2.002 10 0 CEAERO COc1ccc(N(C)C(=O)[C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC000094648025 539883680 /nfs/dbraw/zinc/88/36/80/539883680.db2.gz SKMBMIOQXDTHCL-SMDDNHRTSA-N 1 0 262.353 2.046 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@H](C)c2cc(C)ccc2OC)C1 ZINC000252729854 539896691 /nfs/dbraw/zinc/89/66/91/539896691.db2.gz IPUZIROTPTZZMJ-CABCVRRESA-N 1 0 292.423 2.375 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@H](C)c2sccc2C)C1 ZINC000252744199 539897566 /nfs/dbraw/zinc/89/75/66/539897566.db2.gz RFBJBOYUDMFCCB-OLZOCXBDSA-N 1 0 268.426 2.428 10 0 CEAERO C[NH+](C)C1(CNC(=O)[C@@H]2C[C@H]3C[C@H]3C2)CCCC1 ZINC000250360095 539965057 /nfs/dbraw/zinc/96/50/57/539965057.db2.gz SGLWNYATMORBDL-CLLJXQQHSA-N 1 0 250.386 2.023 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc[nH]c1=S ZINC000152567282 188029444 /nfs/dbraw/zinc/02/94/44/188029444.db2.gz XTUDIIKQCHQLLY-LLVKDONJSA-N 1 0 281.425 2.076 10 0 CEAERO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250647107 539967211 /nfs/dbraw/zinc/96/72/11/539967211.db2.gz MOEMFCPGSTZZTL-YYIAUSFCSA-N 1 0 284.403 2.423 10 0 CEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000251422819 539973642 /nfs/dbraw/zinc/97/36/42/539973642.db2.gz QDTCBHVXPPVHKT-CRWXNKLISA-N 1 0 252.402 2.125 10 0 CEAERO C[C@@](O)(C[N@@H+]1CCOC2(CCC2)C1)c1ccccc1 ZINC000154180167 188127725 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CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nccs1 ZINC000094448969 364275605 /nfs/dbraw/zinc/27/56/05/364275605.db2.gz CCMQMJVUNSXALY-NWDGAFQWSA-N 1 0 251.399 2.202 10 0 CEAERO CN(C[C@H]1CCC[NH2+]1)c1nc2ccccc2nc1NC1CC1 ZINC000095070979 364331342 /nfs/dbraw/zinc/33/13/42/364331342.db2.gz CKWIFIBDWYKCTI-CYBMUJFWSA-N 1 0 297.406 2.392 10 0 CEAERO CSc1nc(Cl)cc(NCC2CC[NH2+]CC2)n1 ZINC000095071777 364332338 /nfs/dbraw/zinc/33/23/38/364332338.db2.gz ZWHNQLIRADINRZ-UHFFFAOYSA-N 1 0 272.805 2.263 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1NCc1ccc(Br)nc1 ZINC000095072290 364332340 /nfs/dbraw/zinc/33/23/40/364332340.db2.gz NIEWQNVAXKUNHG-MNOVXSKESA-N 1 0 284.201 2.204 10 0 CEAERO O=S(=O)(C[C@H]1CCC[NH2+]C1)c1nc2ccccc2s1 ZINC000095073218 364333740 /nfs/dbraw/zinc/33/37/40/364333740.db2.gz AWLITTLCWRNYPW-JTQLQIEISA-N 1 0 296.417 2.070 10 0 CEAERO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)Cn2cccn2)cc1F ZINC000094955566 364315190 /nfs/dbraw/zinc/31/51/90/364315190.db2.gz GCHSUNIVSXHTSN-GXTWGEPZSA-N 1 0 277.343 2.042 10 0 CEAERO CCOc1cc(N2CC[N@H+](C)C(C)(C)C2)ccc1N ZINC000096034547 364397530 /nfs/dbraw/zinc/39/75/30/364397530.db2.gz LPRRRKQDHRUJRN-UHFFFAOYSA-N 1 0 263.385 2.198 10 0 CEAERO COc1ccccc1-c1noc([C@@H]2CC[C@H]([NH3+])C2)n1 ZINC000097067831 364439376 /nfs/dbraw/zinc/43/93/76/364439376.db2.gz YCJNCHFEIOXIIH-ZJUUUORDSA-N 1 0 259.309 2.340 10 0 CEAERO Nc1nccc(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000156213372 366828633 /nfs/dbraw/zinc/82/86/33/366828633.db2.gz RUOYIAIJNPRFGT-CQSZACIVSA-N 1 0 283.379 2.135 10 0 CEAERO CCC[NH+](CCC)CCCNC(=O)N[C@H]1C[C@H]1C ZINC000102808027 364611732 /nfs/dbraw/zinc/61/17/32/364611732.db2.gz WZCGKUGCOWVLJD-OLZOCXBDSA-N 1 0 255.406 2.206 10 0 CEAERO C[NH+](C)C[C@H](NC(=O)Cc1ccccc1O)c1ccccc1 ZINC000101629547 364568551 /nfs/dbraw/zinc/56/85/51/364568551.db2.gz CJTNYIMFQWKQMU-INIZCTEOSA-N 1 0 298.386 2.354 10 0 CEAERO CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H](C)COC)cc1 ZINC000103428330 364651985 /nfs/dbraw/zinc/65/19/85/364651985.db2.gz ZJFABVYXHJTKPZ-AWEZNQCLSA-N 1 0 292.423 2.427 10 0 CEAERO CN(CC[N@H+](C)C[C@@H](O)COC(C)(C)C)c1ccccc1 ZINC000107792082 364711532 /nfs/dbraw/zinc/71/15/32/364711532.db2.gz AKIIQHFZCLRYRI-MRXNPFEDSA-N 1 0 294.439 2.231 10 0 CEAERO Cc1cnc(CCN2C[C@@H]3CCC[N@H+]3C[C@H]2C)c(C)c1 ZINC000335434850 364731276 /nfs/dbraw/zinc/73/12/76/364731276.db2.gz KUNOFXQZRKAFFZ-CVEARBPZSA-N 1 0 273.424 2.409 10 0 CEAERO CCCCc1nc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)no1 ZINC000113269084 364881798 /nfs/dbraw/zinc/88/17/98/364881798.db2.gz CFSAADKESCOJJQ-STQMWFEESA-N 1 0 278.400 2.081 10 0 CEAERO CCCCc1noc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1 ZINC000113270299 364882628 /nfs/dbraw/zinc/88/26/28/364882628.db2.gz YFVWPHRZOZRRFR-STQMWFEESA-N 1 0 278.400 2.081 10 0 CEAERO CCCCCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113575443 364905567 /nfs/dbraw/zinc/90/55/67/364905567.db2.gz WUAYPLGLDWMWQT-QWHCGFSZSA-N 1 0 253.390 2.055 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)Cc2c[nH]c3ccc(F)cc23)C1 ZINC000115361886 365002890 /nfs/dbraw/zinc/00/28/90/365002890.db2.gz 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/nfs/dbraw/zinc/12/55/77/365125577.db2.gz CTALCTGTNVFFTB-ZIAGYGMSSA-N 1 0 288.391 2.105 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2nc3ccccc3s2)C1 ZINC000119301088 365250031 /nfs/dbraw/zinc/25/00/31/365250031.db2.gz AHBSKBPJQNLZID-SNVBAGLBSA-N 1 0 275.377 2.072 10 0 CEAERO COCOc1ccc(OC)cc1C[NH2+][C@@H]1C[C@@H]1C ZINC000119224165 365238780 /nfs/dbraw/zinc/23/87/80/365238780.db2.gz YDVXIGWCYMCKLA-GXFFZTMASA-N 1 0 251.326 2.176 10 0 CEAERO Fc1cc(F)cc(CN2CCC[C@@H](n3cncn3)C2)c1 ZINC000119480007 365279132 /nfs/dbraw/zinc/27/91/32/365279132.db2.gz HHDRRELUUVHYBZ-CQSZACIVSA-N 1 0 278.306 2.393 10 0 CEAERO COCc1ccc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)cc1 ZINC000119500018 365282454 /nfs/dbraw/zinc/28/24/54/365282454.db2.gz RIWLWRYXJGBPOI-MRXNPFEDSA-N 1 0 286.379 2.262 10 0 CEAERO Cc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC000119679482 365309839 /nfs/dbraw/zinc/30/98/39/365309839.db2.gz PWTUJYIPSXOUMF-NWDGAFQWSA-N 1 0 289.379 2.022 10 0 CEAERO CC(C)[C@@H](C)NC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000119721701 365315326 /nfs/dbraw/zinc/31/53/26/365315326.db2.gz XLHQFLUKEYMFEH-QWHCGFSZSA-N 1 0 255.406 2.062 10 0 CEAERO CCC[C@@H](C(=O)NCC1(CCOCC)CC1)[NH+](C)C ZINC000120288984 365402263 /nfs/dbraw/zinc/40/22/63/365402263.db2.gz ZICAVTWWWYYSPK-ZDUSSCGKSA-N 1 0 270.417 2.040 10 0 CEAERO CCc1cnc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)s1 ZINC000120743461 365469748 /nfs/dbraw/zinc/46/97/48/365469748.db2.gz VRBYQVIRGBCRRA-WDEREUQCSA-N 1 0 294.424 2.406 10 0 CEAERO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2C[C@H]2C)c(OC)c1 ZINC000120421070 365423368 /nfs/dbraw/zinc/42/33/68/365423368.db2.gz VXNUYHNJYJSMMI-UHIISALHSA-N 1 0 292.379 2.419 10 0 CEAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000120456052 365426541 /nfs/dbraw/zinc/42/65/41/365426541.db2.gz MJPYFLBBGNXHAQ-TYNCELHUSA-N 1 0 294.420 2.286 10 0 CEAERO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000120569341 365443190 /nfs/dbraw/zinc/44/31/90/365443190.db2.gz CDMZVRAANZZHKO-SWLSCSKDSA-N 1 0 282.815 2.191 10 0 CEAERO C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CN(C)CCO1 ZINC000120569818 365443347 /nfs/dbraw/zinc/44/33/47/365443347.db2.gz CDMZVRAANZZHKO-DOMZBBRYSA-N 1 0 282.815 2.191 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)c1ccc(Cl)cn1 ZINC000282502180 299359992 /nfs/dbraw/zinc/35/99/92/299359992.db2.gz YGFQWAKPYMQECL-HOTUBEGUSA-N 1 0 267.760 2.053 10 0 CEAERO C[C@@H](O)CN1CC[N@H+](Cc2cccc3[nH]ccc32)C[C@@H]1C ZINC000120667118 365456991 /nfs/dbraw/zinc/45/69/91/365456991.db2.gz GLZRXZBNNWYJPU-UONOGXRCSA-N 1 0 287.407 2.055 10 0 CEAERO C[C@@]1(CNc2nnc(C(F)(F)F)s2)CCC[NH2+]C1 ZINC000160395057 367002700 /nfs/dbraw/zinc/00/27/00/367002700.db2.gz XGJVBNQTOBULNW-SECBINFHSA-N 1 0 280.319 2.359 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)N(CC)C[C@H](O)c1ccc(C)cc1 ZINC000161953738 367124883 /nfs/dbraw/zinc/12/48/83/367124883.db2.gz FDXIPADSSJNTHL-CABCVRRESA-N 1 0 278.396 2.004 10 0 CEAERO Cc1ccc(OC(F)F)c(CNC(=O)[C@H]2CC[C@H]([NH3+])C2)c1 ZINC000162015861 367129881 /nfs/dbraw/zinc/12/98/81/367129881.db2.gz PALJKPRZHKGZMM-JQWIXIFHSA-N 1 0 298.333 2.340 10 0 CEAERO O=C(CC[C@H]1CCC[NH2+]1)N1CCc2ccsc2C1 ZINC000335551504 212254803 /nfs/dbraw/zinc/25/48/03/212254803.db2.gz FVJXBJWGNCIJCN-GFCCVEGCSA-N 1 0 264.394 2.165 10 0 CEAERO C[C@@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@H]1C[NH3+] ZINC000638884441 370818541 /nfs/dbraw/zinc/81/85/41/370818541.db2.gz CNMNVBPFWHQYEY-CHWSQXEVSA-N 1 0 260.381 2.017 10 0 CEAERO CC(C)c1ccc(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000638884989 370819272 /nfs/dbraw/zinc/81/92/72/370819272.db2.gz LHWKIOYHAAPEHE-WFASDCNBSA-N 1 0 260.381 2.477 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCCCCOC ZINC000245433768 370819981 /nfs/dbraw/zinc/81/99/81/370819981.db2.gz PIWUCPCFYPCHNU-CABCVRRESA-N 1 0 254.418 2.362 10 0 CEAERO CCC[C@H](C(=O)N[C@H]1C[C@H](OCC)C12CCC2)[NH+](C)C ZINC000162282363 367150143 /nfs/dbraw/zinc/15/01/43/367150143.db2.gz JHVSNOUQLCEUJT-RDBSUJKOSA-N 1 0 282.428 2.181 10 0 CEAERO C[C@@H]1CN(C(=O)C2C3CC4CC(C3)CC2C4)C[C@H]1C[NH3+] ZINC000638887378 370822046 /nfs/dbraw/zinc/82/20/46/370822046.db2.gz OZBUBKCKRBQPDT-YINFPWJTSA-N 1 0 276.424 2.112 10 0 CEAERO CCC[C@@H](C(=O)NCCc1ncc(CC)s1)[NH+](C)C ZINC000162336693 367152382 /nfs/dbraw/zinc/15/23/82/367152382.db2.gz LPMYGDUIEMHPKF-LBPRGKRZSA-N 1 0 283.441 2.095 10 0 CEAERO C[C@H](Oc1cccc(Cl)c1)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638891213 370823849 /nfs/dbraw/zinc/82/38/49/370823849.db2.gz ZGMWMPUYXUPFPN-GRYCIOLGSA-N 1 0 296.798 2.161 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000245473457 370826662 /nfs/dbraw/zinc/82/66/62/370826662.db2.gz QAJNZTNPNIFCET-HZPDHXFCSA-N 1 0 297.487 2.436 10 0 CEAERO CCSCC[C@H](C)NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000245499890 370829491 /nfs/dbraw/zinc/82/94/91/370829491.db2.gz ZAXKFKIWQGYSFO-STQMWFEESA-N 1 0 285.457 2.008 10 0 CEAERO C[C@@H]1CN(C(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)C[C@H]1C[NH3+] ZINC000638901959 370831655 /nfs/dbraw/zinc/83/16/55/370831655.db2.gz KQWASMNCDACVOP-KKOKHZNYSA-N 1 0 292.345 2.408 10 0 CEAERO Cc1ccc(C[C@@H](C)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000245517623 370832162 /nfs/dbraw/zinc/83/21/62/370832162.db2.gz HAERIBLOOSNUML-WBVHZDCISA-N 1 0 286.419 2.480 10 0 CEAERO C[C@@H]1CN(C(=O)c2cscc2Cl)C[C@H]1C[NH3+] ZINC000638904600 370832479 /nfs/dbraw/zinc/83/24/79/370832479.db2.gz PFOZJELCDATFNK-HTQZYQBOSA-N 1 0 258.774 2.068 10 0 CEAERO C[C@H]1C[N@H+](CC2CCC(C)CC2)C[C@@H]1N1CCOCC1 ZINC000245705999 370860593 /nfs/dbraw/zinc/86/05/93/370860593.db2.gz FAEWWXOUOJHGCZ-XGHPGWEVSA-N 1 0 280.456 2.465 10 0 CEAERO C[C@H](O)CN1CCN(C(=O)C(C)(C)C2CCCC2)C[C@@H]1C ZINC000245660949 370856012 /nfs/dbraw/zinc/85/60/12/370856012.db2.gz NCFOUMQAGRUNFC-KBPBESRZSA-N 1 0 296.455 2.116 10 0 CEAERO Cc1cc(CN2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)ccc1F ZINC000245687004 370857108 /nfs/dbraw/zinc/85/71/08/370857108.db2.gz ASXGDORNJZCOFX-UONOGXRCSA-N 1 0 280.387 2.021 10 0 CEAERO CCc1noc(C)c1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000245695259 370858585 /nfs/dbraw/zinc/85/85/85/370858585.db2.gz 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ZINC000293199255 377469046 /nfs/dbraw/zinc/46/90/46/377469046.db2.gz XPADPKBFCGYYMN-CYBMUJFWSA-N 1 0 267.344 2.344 10 0 CEAERO C[C@](O)(C[N@@H+]1CC[C@@H](O)CC(C)(C)C1)c1ccccc1 ZINC000295628849 378243393 /nfs/dbraw/zinc/24/33/93/378243393.db2.gz ZUTMAUHVGLWCBA-WBVHZDCISA-N 1 0 277.408 2.377 10 0 CEAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCc1ccc2c(c1)CCO2 ZINC000296317863 378488688 /nfs/dbraw/zinc/48/86/88/378488688.db2.gz QDRFGSGUALUIJN-DOMZBBRYSA-N 1 0 261.365 2.009 10 0 CEAERO OCC[C@H]1CSCC[N@@H+]1C[C@@H]1Cc2ccccc21 ZINC000347051497 218106258 /nfs/dbraw/zinc/10/62/58/218106258.db2.gz KLRUGXZZBXLVHN-KBPBESRZSA-N 1 0 263.406 2.126 10 0 CEAERO COC(C)(C)CC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000300065542 379152827 /nfs/dbraw/zinc/15/28/27/379152827.db2.gz YMLYTUZJAWMTPW-ZFWWWQNUSA-N 1 0 255.402 2.429 10 0 CEAERO CC(C)[C@H]1C[NH2+]CCN1c1cncc(Br)c1 ZINC000301014190 379181676 /nfs/dbraw/zinc/18/16/76/379181676.db2.gz YFNPEJNHJNUMGX-GFCCVEGCSA-N 1 0 284.201 2.278 10 0 CEAERO CC(C)[NH2+]CC(=O)N1CCCC[C@H]1c1nccs1 ZINC000574585320 299509816 /nfs/dbraw/zinc/50/98/16/299509816.db2.gz SRISJZQRKFYKIG-NSHDSACASA-N 1 0 267.398 2.195 10 0 CEAERO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H](C)C(C)C)C1 ZINC000174745802 284778487 /nfs/dbraw/zinc/77/84/87/284778487.db2.gz BWODAHYCTFYYGB-QWHCGFSZSA-N 1 0 255.406 2.157 10 0 CEAERO CCO[C@H]1C[C@H]([NH2+]CCCOCC2CC2)C12CCOCC2 ZINC000186215771 183634520 /nfs/dbraw/zinc/63/45/20/183634520.db2.gz MTNCYVRBWFUYJZ-HOTGVXAUSA-N 1 0 297.439 2.367 10 0 CEAERO CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2Br)C1 ZINC000334578579 380629220 /nfs/dbraw/zinc/62/92/20/380629220.db2.gz KCWGHQQRNDKMLW-SNVBAGLBSA-N 1 0 297.196 2.273 10 0 CEAERO Cc1ncsc1/C=C\C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000492687517 380655227 /nfs/dbraw/zinc/65/52/27/380655227.db2.gz GTRXYSPCBNZBNW-CFHLNLSMSA-N 1 0 291.420 2.161 10 0 CEAERO C[NH+]1CCC2(CCCN2C(=O)c2cc(O)ccc2F)CC1 ZINC000334780681 207064585 /nfs/dbraw/zinc/06/45/85/207064585.db2.gz ZUQKPZUHHLGCTO-UHFFFAOYSA-N 1 0 292.354 2.232 10 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WLEKTEVGAOSAGZ-UHFFFAOYSA-N 1 0 280.375 2.491 10 0 CEAERO C[C@@H]1OCCC[C@@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000191689962 542344382 /nfs/dbraw/zinc/34/43/82/542344382.db2.gz NJRMXVMDLHAPRT-HOCLYGCPSA-N 1 0 294.439 2.136 10 0 CEAERO Cc1nn(-c2nc3c(cc2C(N)=[NH2+])CCC3)c(C)c1Cl ZINC000050586892 184565059 /nfs/dbraw/zinc/56/50/59/184565059.db2.gz NTGCAIIWVHOHFY-UHFFFAOYSA-N 1 0 289.770 2.310 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)N1CCc2ccccc2CC1 ZINC000079572145 184592721 /nfs/dbraw/zinc/59/27/21/184592721.db2.gz DTEMTECUANCCTF-CYBMUJFWSA-N 1 0 260.381 2.002 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)N1CCc2ccccc2CC1 ZINC000079572148 184592963 /nfs/dbraw/zinc/59/29/63/184592963.db2.gz DTEMTECUANCCTF-ZDUSSCGKSA-N 1 0 260.381 2.002 10 0 CEAERO CCC[C@@H]1CC[C@H]([NH2+]CC)[C@H](Sc2nnnn2C)C1 ZINC000081845712 184596967 /nfs/dbraw/zinc/59/69/67/184596967.db2.gz BKGNTDFSRJXJPZ-GRYCIOLGSA-N 1 0 283.445 2.249 10 0 CEAERO CCC[NH2+][C@@H](CO)CN(CC)c1cccc(C)c1 ZINC000085241331 184609496 /nfs/dbraw/zinc/60/94/96/184609496.db2.gz QZABYOKFPLRZDM-CQSZACIVSA-N 1 0 250.386 2.182 10 0 CEAERO CC[C@H](C)NC(=O)[C@H](C)OC1(C[NH3+])CCC(C)CC1 ZINC000086711716 184610546 /nfs/dbraw/zinc/61/05/46/184610546.db2.gz PDRBGOXZTBIUFM-FMPXUHTOSA-N 1 0 270.417 2.214 10 0 CEAERO C[NH2+]Cc1cccc(CS(=O)(=O)N2CCCC[C@@H]2C)c1 ZINC000088907321 184613613 /nfs/dbraw/zinc/61/36/13/184613613.db2.gz XLGNYRPFNKLEJA-ZDUSSCGKSA-N 1 0 296.436 2.110 10 0 CEAERO CCCOc1cc(N[C@H](C)C[NH+](CC)CC)ncn1 ZINC000090793735 184616556 /nfs/dbraw/zinc/61/65/56/184616556.db2.gz AZUIUEGVUAJYIB-GFCCVEGCSA-N 1 0 266.389 2.408 10 0 CEAERO Cc1cc(C)c(OC[C@@](C)(O)C[NH2+]C2CC2)c(C)c1 ZINC000090824149 184618742 /nfs/dbraw/zinc/61/87/42/184618742.db2.gz ZKLHPCOEAPHDJO-INIZCTEOSA-N 1 0 263.381 2.494 10 0 CEAERO O=S1(=O)CCC[C@]2(CC[NH2+]C[C@@H]2Cc2ccccc2)C1 ZINC000092691428 184621261 /nfs/dbraw/zinc/62/12/61/184621261.db2.gz UAMZWQCMYOJOBM-HOTGVXAUSA-N 1 0 293.432 2.034 10 0 CEAERO C(SC1CCCCC1)c1noc(C2C[NH2+]C2)n1 ZINC000092699701 184621619 /nfs/dbraw/zinc/62/16/19/184621619.db2.gz ZFBZIPTYYKJETN-UHFFFAOYSA-N 1 0 253.371 2.322 10 0 CEAERO COC(=O)[C@H](C)[C@H](C)[NH2+]CCOc1cccc(C)c1 ZINC000093028491 184643688 /nfs/dbraw/zinc/64/36/88/184643688.db2.gz WUMUAIHPGXDIMB-OLZOCXBDSA-N 1 0 265.353 2.161 10 0 CEAERO CC[NH2+]C[C@H]1CCO[C@@H]1c1ccc2c(c1)OCCO2 ZINC000092863875 184633151 /nfs/dbraw/zinc/63/31/51/184633151.db2.gz IHYCPZPDUIIWTG-IUODEOHRSA-N 1 0 263.337 2.145 10 0 CEAERO CCC[NH2+]C[C@@H](Cc1ncnn1C)c1ccccc1F ZINC000093177338 184653414 /nfs/dbraw/zinc/65/34/14/184653414.db2.gz WVAJQRKTIVFLRH-GFCCVEGCSA-N 1 0 276.359 2.280 10 0 CEAERO C[C@@H](Cc1cccs1)N(C)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000093272132 184660016 /nfs/dbraw/zinc/66/00/16/184660016.db2.gz JBIBYLBBBMFOLS-RYUDHWBXSA-N 1 0 266.410 2.137 10 0 CEAERO COC(=O)c1ccc(C)c(N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000093211512 184656074 /nfs/dbraw/zinc/65/60/74/184656074.db2.gz YHQKZAMDNZOTQJ-QWHCGFSZSA-N 1 0 262.353 2.463 10 0 CEAERO NC(=O)c1cc(Cl)ccc1O[C@@H]1CCC[C@H]([NH3+])C1 ZINC000093219473 184656850 /nfs/dbraw/zinc/65/68/50/184656850.db2.gz HNWIVGPRWYQMBS-VHSXEESVSA-N 1 0 268.744 2.088 10 0 CEAERO CCC1CCN(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1 ZINC000335284251 208097505 /nfs/dbraw/zinc/09/75/05/208097505.db2.gz DYDDVMZFMQCOMC-IUODEOHRSA-N 1 0 267.417 2.145 10 0 CEAERO [NH3+]CCSCC(=O)CCCOCc1ccccc1 ZINC000389719339 542373427 /nfs/dbraw/zinc/37/34/27/542373427.db2.gz DHNUKWKTPMABJG-UHFFFAOYSA-N 1 0 267.394 2.244 10 0 CEAERO CCN1C(=[NH2+])NC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000093357904 184667647 /nfs/dbraw/zinc/66/76/47/184667647.db2.gz AYKQHXRNEWUGRH-SNVBAGLBSA-N 1 0 257.259 2.397 10 0 CEAERO CC(C)N1C(=[NH2+])NC[C@H]1c1cc(F)c(F)c(F)c1 ZINC000093374166 184668155 /nfs/dbraw/zinc/66/81/55/184668155.db2.gz NIPJCIQMADSTLN-JTQLQIEISA-N 1 0 257.259 2.184 10 0 CEAERO C[C@H]1C[C@@]2(C[NH+]=C(N)N2C[C@@H]2CCCO2)CC(C)(C)C1 ZINC000093378217 184668412 /nfs/dbraw/zinc/66/84/12/184668412.db2.gz IFLIJEIKQGTLFT-WWGRRREGSA-N 1 0 279.428 2.381 10 0 CEAERO CC[C@@]1(c2ccc(C)cc2)CNC(=[NH2+])N1C[C@@H]1CCCO1 ZINC000093378314 184668791 /nfs/dbraw/zinc/66/87/91/184668791.db2.gz WOVLVTYTUWIIGT-RDJZCZTQSA-N 1 0 287.407 2.410 10 0 CEAERO COc1ccccc1N1C(=[NH2+])NC[C@H]1c1cccc(O)c1 ZINC000093388380 184669812 /nfs/dbraw/zinc/66/98/12/184669812.db2.gz ICEFZGLKZXUDQJ-AWEZNQCLSA-N 1 0 283.331 2.277 10 0 CEAERO COc1ccc([C@]2(C)CNC(=[NH2+])N2CC2CC2)cc1F ZINC000093394311 184670384 /nfs/dbraw/zinc/67/03/84/184670384.db2.gz LVNDBXGRJZMEMM-HNNXBMFYSA-N 1 0 277.343 2.090 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cnn(C(C)(C)C)c1 ZINC000093437706 184674718 /nfs/dbraw/zinc/67/47/18/184674718.db2.gz TVAQQCBVVBFBDX-UKRRQHHQSA-N 1 0 276.428 2.307 10 0 CEAERO C[C@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]CCN ZINC000093515644 184686931 /nfs/dbraw/zinc/68/69/31/184686931.db2.gz RMGOJEVMLPCGMQ-KGLIPLIRSA-N 1 0 299.459 2.493 10 0 CEAERO CCCS(=O)(=O)Cc1cc([C@@H](C)[NH3+])ccc1OCC ZINC000081941115 177904332 /nfs/dbraw/zinc/90/43/32/177904332.db2.gz ACNJYMPAZIBLRV-LLVKDONJSA-N 1 0 285.409 2.430 10 0 CEAERO C[C@H]([NH3+])CCS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000081935625 177902798 /nfs/dbraw/zinc/90/27/98/177902798.db2.gz SBOQJPVUZONFDB-QMMMGPOBSA-N 1 0 281.299 2.216 10 0 CEAERO CCC[C@@H](CSc1nnc2ccccn21)[NH2+]C ZINC000081881032 177875717 /nfs/dbraw/zinc/87/57/17/177875717.db2.gz RCCYQFJSHHSSSY-JTQLQIEISA-N 1 0 250.371 2.210 10 0 CEAERO CCC[C@H]([NH2+]C)[C@@H](CC)Sc1n[nH]c(=O)n1C1CC1 ZINC000081880260 177874835 /nfs/dbraw/zinc/87/48/35/177874835.db2.gz HULBXZSCRGAKQR-WDEREUQCSA-N 1 0 284.429 2.165 10 0 CEAERO CCC[C@H]([NH2+]CC)[C@@H](CC)Sc1n[nH]c(=O)n1CC ZINC000081879791 177873923 /nfs/dbraw/zinc/87/39/23/177873923.db2.gz URRQIMCKWPAPGZ-WDEREUQCSA-N 1 0 286.445 2.240 10 0 CEAERO CCC[NH2+][C@@H]1CCOC[C@H]1Sc1nnc(C)s1 ZINC000081873948 177870404 /nfs/dbraw/zinc/87/04/04/177870404.db2.gz GOGIUJXWCFFYFD-NXEZZACHSA-N 1 0 273.427 2.096 10 0 CEAERO CC[NH2+][C@H]1CCOC[C@H]1Sc1nc(C)cs1 ZINC000081870464 177869848 /nfs/dbraw/zinc/86/98/48/177869848.db2.gz AGUNFNUZDAAARQ-VHSXEESVSA-N 1 0 258.412 2.311 10 0 CEAERO CN(C)c1nnc(S[C@@H]2Cc3ccccc3[C@@H]2[NH3+])s1 ZINC000081769201 177856502 /nfs/dbraw/zinc/85/65/02/177856502.db2.gz VNLODDVODVFERL-MNOVXSKESA-N 1 0 292.433 2.321 10 0 CEAERO CC[NH2+][C@H]1CCCCC[C@@H]1SCCS(C)(=O)=O ZINC000081769010 177855912 /nfs/dbraw/zinc/85/59/12/177855912.db2.gz LPEZLUKQEKIOHF-RYUDHWBXSA-N 1 0 279.471 2.075 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)N[C@H](C)CCOC ZINC000081708852 177842209 /nfs/dbraw/zinc/84/22/09/177842209.db2.gz JGLLNFCEPKLSGO-GFCCVEGCSA-N 1 0 258.406 2.073 10 0 CEAERO [NH3+]Cc1cccc(N2CCC[C@@H]2c2cccnc2)n1 ZINC000081595332 177828566 /nfs/dbraw/zinc/82/85/66/177828566.db2.gz LWTSPFJGSVLOBC-CQSZACIVSA-N 1 0 254.337 2.277 10 0 CEAERO CCC[NH2+][C@@H]1CCC(C)(C)C[C@H]1N1CCn2cnnc2C1 ZINC000081535029 177810542 /nfs/dbraw/zinc/81/05/42/177810542.db2.gz LRNGQVMNLZKSCQ-ZIAGYGMSSA-N 1 0 291.443 2.041 10 0 CEAERO CCO[C@H](C)[C@H]([NH2+]C)c1cc(OC)ccc1OC ZINC000080743599 177697274 /nfs/dbraw/zinc/69/72/74/177697274.db2.gz JBTVSJOKZHPVGY-YGRLFVJLSA-N 1 0 253.342 2.389 10 0 CEAERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccccc3)C2=O)n(C)n1 ZINC000080526640 177663583 /nfs/dbraw/zinc/66/35/83/177663583.db2.gz SEACCMCNSKVXEO-OAHLLOKOSA-N 1 0 298.390 2.014 10 0 CEAERO CCC[NH2+][C@H]1CCCC[C@@H](CCS(C)(=O)=O)C1 ZINC000080415338 177650736 /nfs/dbraw/zinc/65/07/36/177650736.db2.gz IQAUWDMCWOABBT-STQMWFEESA-N 1 0 261.431 2.370 10 0 CEAERO CC[C@H](NC(=O)C[NH2+]C1CCCC1)c1nccs1 ZINC000080268732 177634151 /nfs/dbraw/zinc/63/41/51/177634151.db2.gz FYTQFRCLSLUYFT-NSHDSACASA-N 1 0 267.398 2.243 10 0 CEAERO O=C([O-])[C@@]1([NH2+]C2CC2)CC[C@@H]([NH+]2CCCCCCC2)C1 ZINC000093822508 184725936 /nfs/dbraw/zinc/72/59/36/184725936.db2.gz HOZAHSZXIZOPHN-GDBMZVCRSA-N 1 0 280.412 2.380 10 0 CEAERO O[C@H](C[C@@H]1CCC[NH2+]1)c1ccc2c(c1)OCCCO2 ZINC000093516965 184687293 /nfs/dbraw/zinc/68/72/93/184687293.db2.gz FBXBQGSPKUNQOC-QWHCGFSZSA-N 1 0 263.337 2.023 10 0 CEAERO CC[NH2+][C@]1(CO)CCC[C@@H]1CCn1cc(Cl)c(C)n1 ZINC000093619105 184696648 /nfs/dbraw/zinc/69/66/48/184696648.db2.gz DFIIQFWPWHMCMJ-OCCSQVGLSA-N 1 0 285.819 2.376 10 0 CEAERO CCC[NH2+][C@]1(CO)CCC[C@H]1CCOCCOC(C)C ZINC000093620619 184697234 /nfs/dbraw/zinc/69/72/34/184697234.db2.gz IYSVKKVJCAMYAF-HOTGVXAUSA-N 1 0 287.444 2.349 10 0 CEAERO C[NH2+][C@@]1(C(N)=O)CCC[C@@H]1CCOc1ccc(C)cc1 ZINC000093619676 184697473 /nfs/dbraw/zinc/69/74/73/184697473.db2.gz CHYZONGCPLPPMS-CJNGLKHVSA-N 1 0 276.380 2.008 10 0 CEAERO C[NH2+][C@@H]1CCC[C@H]1CCS(=O)(=O)c1ccccc1F ZINC000093622953 184697635 /nfs/dbraw/zinc/69/76/35/184697635.db2.gz JCMZGYPTBMAJMV-WCQYABFASA-N 1 0 285.384 2.378 10 0 CEAERO CC(C)[NH2+][C@]1(CO)CCC[C@H]1CCSc1cnn(C)c1 ZINC000093623265 184697776 /nfs/dbraw/zinc/69/77/76/184697776.db2.gz DTZUYUDDJVNZRA-ZFWWWQNUSA-N 1 0 297.468 2.432 10 0 CEAERO Cc1c(CN[C@@H](C[NH+](C)C)c2ccccc2)cnn1C ZINC000093649299 184701820 /nfs/dbraw/zinc/70/18/20/184701820.db2.gz KCAODSDFJXLTEL-INIZCTEOSA-N 1 0 272.396 2.121 10 0 CEAERO CCN(c1ccccc1)[C@H](C[NH3+])c1cnn(C)c1C ZINC000093650440 184703067 /nfs/dbraw/zinc/70/30/67/184703067.db2.gz UVZKSYIROQIRND-OAHLLOKOSA-N 1 0 258.369 2.255 10 0 CEAERO C[NH2+][C@]1(CO)CCC[C@@H](Oc2cc(C)ccc2F)C1 ZINC000093785909 184722024 /nfs/dbraw/zinc/72/20/24/184722024.db2.gz SHLYEVDYDLCLME-IUODEOHRSA-N 1 0 267.344 2.406 10 0 CEAERO C[C@H](O[C@H]1CCC[C@@](CO)([NH2+]C2CC2)C1)C(F)(F)F ZINC000093785955 184722189 /nfs/dbraw/zinc/72/21/89/184722189.db2.gz PNSUMCOHMIBVSO-ZMLRMANQSA-N 1 0 281.318 2.380 10 0 CEAERO C[NH2+][C@@H]1CC[C@@H](Oc2ccc3c(c2)CCC(=O)N3)C1 ZINC000093798411 184723292 /nfs/dbraw/zinc/72/32/92/184723292.db2.gz SNSKFLYCRULBKQ-DGCLKSJQSA-N 1 0 260.337 2.091 10 0 CEAERO Cc1csc(CCN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1 ZINC000094449707 184802678 /nfs/dbraw/zinc/80/26/78/184802678.db2.gz LQJOHAVKPQXFPI-STQMWFEESA-N 1 0 265.426 2.163 10 0 CEAERO CC[NH2+][C@H](CCc1cccs1)[C@H]1CN(CC)CCO1 ZINC000093914544 184741561 /nfs/dbraw/zinc/74/15/61/184741561.db2.gz JJVOSEFABHSSJN-HUUCEWRRSA-N 1 0 282.453 2.380 10 0 CEAERO C[NH+](C)C(C)(C)COc1cccc(F)c1C(N)=S ZINC000093955125 184746069 /nfs/dbraw/zinc/74/60/69/184746069.db2.gz YUEPXRZVXMSNFI-UHFFFAOYSA-N 1 0 270.373 2.179 10 0 CEAERO CN(CC1CC[NH2+]CC1)C(=O)c1cccc2ncccc21 ZINC000094021990 184750148 /nfs/dbraw/zinc/75/01/48/184750148.db2.gz SLRSVVNCJCNTRG-UHFFFAOYSA-N 1 0 283.375 2.306 10 0 CEAERO CC(C)CCC(=O)N(CC1CC[NH2+]CC1)C1CC1 ZINC000094023238 184750904 /nfs/dbraw/zinc/75/09/04/184750904.db2.gz HQXSZSTYGXMRQX-UHFFFAOYSA-N 1 0 252.402 2.413 10 0 CEAERO CCCN(CC(C)(C)C[NH3+])C(=O)c1ccc(OC)c(O)c1 ZINC000094067146 184753226 /nfs/dbraw/zinc/75/32/26/184753226.db2.gz LHMQCQKNHIYUSB-UHFFFAOYSA-N 1 0 294.395 2.238 10 0 CEAERO CC[C@@H]1CN(C(=O)c2ccc(OC)c(O)c2)[C@@H](CC)C[NH2+]1 ZINC000094067067 184753640 /nfs/dbraw/zinc/75/36/40/184753640.db2.gz MEDOPEZLEKFELN-OLZOCXBDSA-N 1 0 292.379 2.003 10 0 CEAERO CC[NH+](CC)C(CC)(CC)[C@@H](N)Cc1nccn1C ZINC000094163451 184758915 /nfs/dbraw/zinc/75/89/15/184758915.db2.gz IPSVBNCFPAXQPL-ZDUSSCGKSA-N 1 0 266.433 2.191 10 0 CEAERO C[NH2+][C@@H]1[C@H](Sc2nccc(=O)[nH]2)CCCC1(C)C ZINC000094282956 184774770 /nfs/dbraw/zinc/77/47/70/184774770.db2.gz GQLJKKKVMOHURJ-MWLCHTKSSA-N 1 0 267.398 2.029 10 0 CEAERO CCC[NH2+][C@H]1[C@H](N2CCn3cnnc3C2)CCCC1(C)C ZINC000094276056 184774962 /nfs/dbraw/zinc/77/49/62/184774962.db2.gz PBQWHOACTOYOPJ-HIFRSBDPSA-N 1 0 291.443 2.041 10 0 CEAERO C[NH2+][C@H]1[C@H](Sc2n[nH]c(=O)n2C2CC2)CCCC1(C)C ZINC000094283908 184775003 /nfs/dbraw/zinc/77/50/03/184775003.db2.gz OEFYJGGGWSJRTP-MNOVXSKESA-N 1 0 296.440 2.165 10 0 CEAERO [NH3+]C1(CC(=O)NCc2cc3c(s2)CCC3)CCC1 ZINC000094294968 184777931 /nfs/dbraw/zinc/77/79/31/184777931.db2.gz XBBGXYHEAFNOHX-UHFFFAOYSA-N 1 0 264.394 2.125 10 0 CEAERO CCOC(=O)C[C@]1([NH+]2CCOCC2)CCCC1(C)C ZINC000094313813 184779134 /nfs/dbraw/zinc/77/91/34/184779134.db2.gz MSLITUKSVMMUGN-OAHLLOKOSA-N 1 0 269.385 2.221 10 0 CEAERO CCC(CC)[N@H+](CCO)C[C@H]1CCC(C)(C)C1=O ZINC000094315390 184779490 /nfs/dbraw/zinc/77/94/90/184779490.db2.gz PVSKTONDYGAYKY-GFCCVEGCSA-N 1 0 255.402 2.475 10 0 CEAERO CC1(C)CCC[C@@H]1NS(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000094326159 184781222 /nfs/dbraw/zinc/78/12/22/184781222.db2.gz BXJBVRZYZJKDEQ-ZDUSSCGKSA-N 1 0 282.409 2.002 10 0 CEAERO CC(C)C[C@@](C)(O)C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000094374713 184791038 /nfs/dbraw/zinc/79/10/38/184791038.db2.gz YNHZFGQRQSSZLG-ZIAGYGMSSA-N 1 0 255.402 2.475 10 0 CEAERO Cc1csc(C[C@H]([NH3+])[C@@H]2CCOC3(CCOCC3)C2)n1 ZINC000094402173 184793362 /nfs/dbraw/zinc/79/33/62/184793362.db2.gz ADTKNTYFSJDRHE-OLZOCXBDSA-N 1 0 296.436 2.297 10 0 CEAERO COCC[NH2+]CC/C=C/[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000094419460 184795019 /nfs/dbraw/zinc/79/50/19/184795019.db2.gz SMNDULIVTCCOFA-KPDCFJMOSA-N 1 0 285.453 2.471 10 0 CEAERO CC[NH2+]CC[C@@](C)(O)[C@@H]1CCOC2(CCCC2)C1 ZINC000094418631 184795209 /nfs/dbraw/zinc/79/52/09/184795209.db2.gz BFSATMGUIIEYEW-ZIAGYGMSSA-N 1 0 255.402 2.476 10 0 CEAERO CCN(CC)C(=O)CC[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000094423844 184795741 /nfs/dbraw/zinc/79/57/41/184795741.db2.gz LJKYPODHDVELSC-LBPRGKRZSA-N 1 0 270.417 2.181 10 0 CEAERO CC[C@@H]([NH3+])[C@@]1(CC(=O)OC)CC(C)(C)OC1(C)C ZINC000094426781 184796874 /nfs/dbraw/zinc/79/68/74/184796874.db2.gz WYFJGQHLBSFDGK-QMTHXVAHSA-N 1 0 257.374 2.251 10 0 CEAERO COCCCOCc1ccc(C[NH2+]C(C)C)cn1 ZINC000094759313 184854825 /nfs/dbraw/zinc/85/48/25/184854825.db2.gz RCQPNPKINZMTHE-UHFFFAOYSA-N 1 0 252.358 2.133 10 0 CEAERO CCC[NH2+][C@H](Cc1cccnc1N)[C@@]1(C)CCCO1 ZINC000094784443 184862769 /nfs/dbraw/zinc/86/27/69/184862769.db2.gz PGNDRCCYFPRRGF-UKRRQHHQSA-N 1 0 263.385 2.144 10 0 CEAERO COc1cc(F)c([C@@H]([NH3+])[C@@]2(C)CCCO2)cc1OC ZINC000094788807 184864801 /nfs/dbraw/zinc/86/48/01/184864801.db2.gz MWNVNFHVXSVBQE-ZIAGYGMSSA-N 1 0 269.316 2.412 10 0 CEAERO COC(=O)[C@@](C)(C[C@H](C)[N@@H+]1CCC(C)(C)C1)NC(C)C ZINC000094809966 184870741 /nfs/dbraw/zinc/87/07/41/184870741.db2.gz IFGREESYWMAVPH-XJKSGUPXSA-N 1 0 284.444 2.427 10 0 CEAERO CCOC(=O)C[C@@]1([NH+]2CCCC2)CS[C@@H](C)C1 ZINC000094474889 184808088 /nfs/dbraw/zinc/80/80/88/184808088.db2.gz ACXYYFDFZHBQFZ-WCQYABFASA-N 1 0 257.399 2.300 10 0 CEAERO C[C@H]1SCCC[C@@H]1[NH2+]CCc1nnc2ccccn21 ZINC000094475702 184808106 /nfs/dbraw/zinc/80/81/06/184808106.db2.gz GOKYFRLNRPKQCK-NEPJUHHUSA-N 1 0 276.409 2.146 10 0 CEAERO C[NH2+][C@@H](C)CCc1nc(CCC(F)(F)F)no1 ZINC000094494121 184809779 /nfs/dbraw/zinc/80/97/79/184809779.db2.gz CKVCLTNEDFYYJI-ZETCQYMHSA-N 1 0 251.252 2.105 10 0 CEAERO C[NH2+][C@H](CCc1ccc2c(c1)CCO2)[C@H]1CSCCO1 ZINC000094502889 184811741 /nfs/dbraw/zinc/81/17/41/184811741.db2.gz HPKXNUNGQRQZNL-GDBMZVCRSA-N 1 0 293.432 2.274 10 0 CEAERO CC(C)(C)[NH+]1CCN(Cc2nc3c(cccc3N)o2)CC1 ZINC000094542225 184815181 /nfs/dbraw/zinc/81/51/81/184815181.db2.gz RTIBYOMFXPBBAR-UHFFFAOYSA-N 1 0 288.395 2.326 10 0 CEAERO C[C@H](C[NH2+]C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2)C(N)=O ZINC000094544537 184815686 /nfs/dbraw/zinc/81/56/86/184815686.db2.gz JRRQRJGVTWWJDD-ORKCZJCPSA-N 1 0 264.413 2.446 10 0 CEAERO [NH3+]C[C@H]1CC[C@H](c2nc(Cc3ccc(Cl)cc3)no2)O1 ZINC000094560736 184817824 /nfs/dbraw/zinc/81/78/24/184817824.db2.gz HVYZBRLXPSENEW-VXGBXAGGSA-N 1 0 293.754 2.493 10 0 CEAERO CCOc1ccc(NC(=O)[C@H]2CC[C@H](C[NH3+])O2)cc1Cl ZINC000094567421 184819184 /nfs/dbraw/zinc/81/91/84/184819184.db2.gz GGNPLVRTTBUEBR-ZWNOBZJWSA-N 1 0 298.770 2.184 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1cc(CC)ccc1O ZINC000094575157 184820984 /nfs/dbraw/zinc/82/09/84/184820984.db2.gz JBRLEYPQODDUCX-SNVBAGLBSA-N 1 0 250.342 2.139 10 0 CEAERO Cc1ccc(O)c(NC(=O)[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000094574189 184821413 /nfs/dbraw/zinc/82/14/13/184821413.db2.gz ZJJNBQNMJUDWEV-VXGBXAGGSA-N 1 0 262.353 2.404 10 0 CEAERO C[C@@H]([NH3+])c1ccccc1O[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094634405 184830928 /nfs/dbraw/zinc/83/09/28/184830928.db2.gz SALRBZFHUZKNAZ-AGIUHOORSA-N 1 0 297.420 2.441 10 0 CEAERO CC[C@](C)([C@@H](O)c1cc(OC)cc(OC)c1)[NH+](C)C ZINC000094650767 184834952 /nfs/dbraw/zinc/83/49/52/184834952.db2.gz BRAMBYOTICPVFP-LSDHHAIUSA-N 1 0 267.369 2.468 10 0 CEAERO COC(=O)c1cccc(NC(=O)[C@H](C[NH3+])CC(C)C)c1C ZINC000094697775 184841592 /nfs/dbraw/zinc/84/15/92/184841592.db2.gz SHQCQWUNYAZPIN-LBPRGKRZSA-N 1 0 292.379 2.341 10 0 CEAERO CC(C)C[C@@H](C[NH3+])C(=O)N[C@H]1CCOc2ccccc21 ZINC000094697871 184841938 /nfs/dbraw/zinc/84/19/38/184841938.db2.gz ROIWVBTYENTQFW-JSGCOSHPSA-N 1 0 276.380 2.247 10 0 CEAERO CC(C)C[C@H](C[NH3+])C(=O)Nc1ccccc1[C@@H](C)O ZINC000094699757 184842735 /nfs/dbraw/zinc/84/27/35/184842735.db2.gz DLWQJBPZAHRXRP-VXGBXAGGSA-N 1 0 264.369 2.299 10 0 CEAERO COC(=O)c1cccc(NC(=O)[C@H](C[NH3+])CC(C)C)c1 ZINC000094699634 184842777 /nfs/dbraw/zinc/84/27/77/184842777.db2.gz UZDPEFNXHUHTRR-LBPRGKRZSA-N 1 0 278.352 2.033 10 0 CEAERO CCCO[C@@H]1CCCN(C(=O)[C@@H](C[NH3+])CC(C)C)C1 ZINC000094699353 184842850 /nfs/dbraw/zinc/84/28/50/184842850.db2.gz NEMVKAYSHTYSPZ-ZIAGYGMSSA-N 1 0 270.417 2.025 10 0 CEAERO O=C(Cc1cccc(F)c1F)N1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000094713532 184845740 /nfs/dbraw/zinc/84/57/40/184845740.db2.gz LAQZIGWTKVSALP-KGLIPLIRSA-N 1 0 294.345 2.250 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1cccnc1)N(C)CCOCC1CC1 ZINC000094983821 184910335 /nfs/dbraw/zinc/91/03/35/184910335.db2.gz PAYSSDLBQPPUTD-HZPDHXFCSA-N 1 0 277.412 2.218 10 0 CEAERO [NH3+]CC[C@H]1CN(C(=O)C[C@H]2CCCCO2)c2ccccc21 ZINC000095032427 184919139 /nfs/dbraw/zinc/91/91/39/184919139.db2.gz CLOYEQSTUNGPGS-UONOGXRCSA-N 1 0 288.391 2.425 10 0 CEAERO COC[C@@H](C)CC(=O)Nc1cccc([C@@H](C)[NH3+])c1 ZINC000095035427 184920033 /nfs/dbraw/zinc/92/00/33/184920033.db2.gz XSPTWFRAWLWCIS-WDEREUQCSA-N 1 0 250.342 2.317 10 0 CEAERO Clc1ncc(COC[C@@H]2CCC[NH2+]C2)c(Cl)n1 ZINC000095070130 184931905 /nfs/dbraw/zinc/93/19/05/184931905.db2.gz IKPRPGAYHJJTLZ-MRVPVSSYSA-N 1 0 276.167 2.300 10 0 CEAERO COc1nc2ccccc2nc1OC[C@H]1CCC[NH2+]C1 ZINC000095071718 184933242 /nfs/dbraw/zinc/93/32/42/184933242.db2.gz LBRQATIFNBDRTI-NSHDSACASA-N 1 0 273.336 2.017 10 0 CEAERO Cc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCC[NH2+]2)c(F)c1 ZINC000094919016 184893455 /nfs/dbraw/zinc/89/34/55/184893455.db2.gz ABYBERIKXKCLCL-HUUCEWRRSA-N 1 0 276.355 2.491 10 0 CEAERO CC[NH2+][C@H]1CCCC[C@H]1c1nc(-c2ncc[nH]2)no1 ZINC000094940727 184898265 /nfs/dbraw/zinc/89/82/65/184898265.db2.gz ZRYUJNYLKMSXKB-ZJUUUORDSA-N 1 0 261.329 2.095 10 0 CEAERO CC[C@@H](CC[NH3+])CNC(=O)c1cccc(OC(F)F)c1 ZINC000094962058 184906282 /nfs/dbraw/zinc/90/62/82/184906282.db2.gz DAPJEIVABFPUMF-JTQLQIEISA-N 1 0 286.322 2.393 10 0 CEAERO CC[C@H](CC[NH3+])CNC(=O)c1ccc(F)c(F)c1 ZINC000094961938 184906290 /nfs/dbraw/zinc/90/62/90/184906290.db2.gz MIBHDMLINZHSKA-SECBINFHSA-N 1 0 256.296 2.070 10 0 CEAERO Cc1cc(F)ccc1CCN1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000094963363 184907078 /nfs/dbraw/zinc/90/70/78/184907078.db2.gz ZMPKCMRRWZPVHS-OLZOCXBDSA-N 1 0 250.361 2.359 10 0 CEAERO CC[C@H]([NH3+])Cc1c(C)nn(Cc2nccs2)c1C ZINC000094978123 184908946 /nfs/dbraw/zinc/90/89/46/184908946.db2.gz HVRKOLCCDIRSHC-NSHDSACASA-N 1 0 264.398 2.285 10 0 CEAERO C[C@@H]([NH2+]C1(C2CCC2)CCC1)C(=O)NCC(F)(F)F ZINC000411813370 533327887 /nfs/dbraw/zinc/32/78/87/533327887.db2.gz AJNLOEBVYMBJOB-SECBINFHSA-N 1 0 278.318 2.366 10 0 CEAERO C[C@@H](Nc1ccc(N2CCCC2=O)cc1)[C@H]1CC[NH2+]C1 ZINC000400469303 533554438 /nfs/dbraw/zinc/55/44/38/533554438.db2.gz XENLSBUWAGJLII-OLZOCXBDSA-N 1 0 273.380 2.223 10 0 CEAERO COC(=O)c1ccc([C@H](C)N2C[C@@H](C)[C@H]([NH+](C)C)C2)o1 ZINC000227228153 130838814 /nfs/dbraw/zinc/83/88/14/130838814.db2.gz IVPCPACCIJGIMU-GRYCIOLGSA-N 1 0 280.368 2.009 10 0 CEAERO CNc1cc(N2CCC[C@H]2C[NH2+]CC=C(C)C)ncn1 ZINC000237060430 131001230 /nfs/dbraw/zinc/00/12/30/131001230.db2.gz ZGPXBHQDRNOWIC-ZDUSSCGKSA-N 1 0 275.400 2.043 10 0 CEAERO Cn1ccnc1CN1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246618055 131096184 /nfs/dbraw/zinc/09/61/84/131096184.db2.gz IESHSQUBIYWDNJ-RISCZKNCSA-N 1 0 293.317 2.006 10 0 CEAERO Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@@H](C)[C@H]2CCCO2)c1 ZINC000249680444 131123209 /nfs/dbraw/zinc/12/32/09/131123209.db2.gz ASLIHBWZCPVAMI-ZMSDIMECSA-N 1 0 293.407 2.200 10 0 CEAERO CO[C@H](c1ccccc1F)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C ZINC000262115131 131192129 /nfs/dbraw/zinc/19/21/29/131192129.db2.gz IHFVMMRBAJSGNI-BPNCWPANSA-N 1 0 282.359 2.001 10 0 CEAERO C[C@H]1C[C@@H](C(=O)NCc2nc(-c3ccccc3)c[nH]2)CC[NH2+]1 ZINC000262434631 131220196 /nfs/dbraw/zinc/22/01/96/131220196.db2.gz SASHRNPQDLPPIM-JSGCOSHPSA-N 1 0 298.390 2.081 10 0 CEAERO C[NH2+]CCCC(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000262657478 131247680 /nfs/dbraw/zinc/24/76/80/131247680.db2.gz ZOCAZIGAQXUFRC-CHWSQXEVSA-N 1 0 296.436 2.162 10 0 CEAERO [NH3+]C1CCN(c2nc(Cl)nc3ccsc32)CC1 ZINC000073735741 134445027 /nfs/dbraw/zinc/44/50/27/134445027.db2.gz PGEGYYOSQSRLDS-UHFFFAOYSA-N 1 0 268.773 2.272 10 0 CEAERO C[NH+](C)C1CCN(c2c(N)cccc2Cl)CC1 ZINC000036191080 134809800 /nfs/dbraw/zinc/80/98/00/134809800.db2.gz XAGXZWJMDTZTTH-UHFFFAOYSA-N 1 0 253.777 2.453 10 0 CEAERO CC[C@H]([NH3+])CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000036872033 134824690 /nfs/dbraw/zinc/82/46/90/134824690.db2.gz RFJFZADTANREIL-ZDUSSCGKSA-N 1 0 267.804 2.199 10 0 CEAERO NC(=[NH2+])c1cc2c(nc1N1CCc3sccc3C1)CCC2 ZINC000043406413 134901161 /nfs/dbraw/zinc/90/11/61/134901161.db2.gz ZXXADZPXLRCQQK-UHFFFAOYSA-N 1 0 298.415 2.479 10 0 CEAERO [NH3+][C@@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 ZINC000070458397 134949312 /nfs/dbraw/zinc/94/93/12/134949312.db2.gz KRKYREPTFFPHLS-CYBMUJFWSA-N 1 0 254.337 2.071 10 0 CEAERO CCCS(=O)(=O)N1CC[C@@H]([NH2+]CC)c2ccccc21 ZINC000071325044 134963418 /nfs/dbraw/zinc/96/34/18/134963418.db2.gz MTAGYBSUOCLFIX-CYBMUJFWSA-N 1 0 282.409 2.287 10 0 CEAERO C[C@H]1CN(c2ccc(F)cc2Br)CC[NH2+]1 ZINC000083061214 135014136 /nfs/dbraw/zinc/01/41/36/135014136.db2.gz FZMFJELQTTZGLE-QMMMGPOBSA-N 1 0 273.149 2.386 10 0 CEAERO CC[C@@H]1CN(c2cc(OC)ccc2OC)[C@H](C)C[NH2+]1 ZINC000083479421 135023972 /nfs/dbraw/zinc/02/39/72/135023972.db2.gz QFQKPUIRYWBWKM-VXGBXAGGSA-N 1 0 264.369 2.281 10 0 CEAERO C[C@@H]1CN(c2cc(Br)ccc2N)CC[N@@H+]1C ZINC000083731826 135030747 /nfs/dbraw/zinc/03/07/47/135030747.db2.gz WIJVVYGZHBPAHE-SECBINFHSA-N 1 0 284.201 2.172 10 0 CEAERO CCC[C@@H]1CN(c2ccc(N3CCOCC3)cc2)CC[NH2+]1 ZINC000086148822 135039297 /nfs/dbraw/zinc/03/92/97/135039297.db2.gz XLBPBNPWZVXRNN-OAHLLOKOSA-N 1 0 289.423 2.102 10 0 CEAERO CC(C)(C[NH3+])CCCN1c2ccccc2OCC1=O ZINC000087598600 135050776 /nfs/dbraw/zinc/05/07/76/135050776.db2.gz JGPSMDYYHUQAMA-UHFFFAOYSA-N 1 0 262.353 2.177 10 0 CEAERO NNc1nc(N2CCC[C@H]3CCC[C@@H]32)c(Cl)c[nH+]1 ZINC000087886479 135052084 /nfs/dbraw/zinc/05/20/84/135052084.db2.gz XEKPMMVDNPPQSW-SCZZXKLOSA-N 1 0 267.764 2.185 10 0 CEAERO C[C@@H]1CC[C@@H](C)N(c2nc(NN)[nH+]cc2Cl)C1 ZINC000087889664 135052178 /nfs/dbraw/zinc/05/21/78/135052178.db2.gz KIZLWQSEQHOCLT-HTQZYQBOSA-N 1 0 255.753 2.040 10 0 CEAERO [NH3+][C@@H]1CCCN(c2c3nsnc3ccc2Cl)C1 ZINC000088128145 135052548 /nfs/dbraw/zinc/05/25/48/135052548.db2.gz GQSSIJDJCYLTTQ-SSDOTTSWSA-N 1 0 268.773 2.272 10 0 CEAERO Cc1nc(Cl)c(N2CCC([NH+](C)C)CC2)nc1C ZINC000088496697 135055196 /nfs/dbraw/zinc/05/51/96/135055196.db2.gz AOIGENSAZDMQAJ-UHFFFAOYSA-N 1 0 268.792 2.277 10 0 CEAERO Cc1cc(CN2CC[C@@H]([NH3+])c3ccccc32)n(C)n1 ZINC000089180697 135058374 /nfs/dbraw/zinc/05/83/74/135058374.db2.gz WWJHMXWJWCNYNQ-CQSZACIVSA-N 1 0 256.353 2.139 10 0 CEAERO CC(C)C[C@@](C)(O)C[NH2+][C@H]1CC(=O)N(C)c2ccccc21 ZINC000090267329 135063095 /nfs/dbraw/zinc/06/30/95/135063095.db2.gz SEEFGTZMOFIGQL-WMLDXEAASA-N 1 0 290.407 2.481 10 0 CEAERO Cc1cnc(N2CCC([NH+]3CCCCC3)CC2)c(N)c1 ZINC000090676632 135064150 /nfs/dbraw/zinc/06/41/50/135064150.db2.gz DPUPEBRDESFOTK-UHFFFAOYSA-N 1 0 274.412 2.427 10 0 CEAERO CC(C)Oc1cc(N2CCCC[C@@H]2C[NH2+]C2CC2)ncn1 ZINC000090786395 135064890 /nfs/dbraw/zinc/06/48/90/135064890.db2.gz UDXGOGBSOAMTPP-CQSZACIVSA-N 1 0 290.411 2.375 10 0 CEAERO CCCOc1cc(N2CCC[C@H](C[NH2+]CC)C2)ncn1 ZINC000090785450 135065079 /nfs/dbraw/zinc/06/50/79/135065079.db2.gz CCNRKPSYZCKMEW-CYBMUJFWSA-N 1 0 278.400 2.091 10 0 CEAERO CC(C)[NH2+]C[C@@](C)(O)CN1CCCc2ccccc21 ZINC000090817664 135065844 /nfs/dbraw/zinc/06/58/44/135065844.db2.gz RTWJBOBXBLATBO-MRXNPFEDSA-N 1 0 262.397 2.188 10 0 CEAERO COc1ccccc1N1CCN(CC(C)(C)[C@H](C)[NH3+])CC1 ZINC000091402562 135068887 /nfs/dbraw/zinc/06/88/87/135068887.db2.gz NTWSEBLQZGQSSV-AWEZNQCLSA-N 1 0 291.439 2.191 10 0 CEAERO C[NH2+]Cc1cncc(N2CCc3sccc3[C@H]2C)n1 ZINC000091419860 135069353 /nfs/dbraw/zinc/06/93/53/135069353.db2.gz DNRHIMYEAIMCQL-SNVBAGLBSA-N 1 0 274.393 2.381 10 0 CEAERO [NH3+][C@@H]1Cc2ccccc2N(C(=O)c2ccncc2Cl)C1 ZINC000091457078 135070319 /nfs/dbraw/zinc/07/03/19/135070319.db2.gz GFUINORKMSVXRY-LLVKDONJSA-N 1 0 287.750 2.265 10 0 CEAERO CC(=O)c1ccc(N2CC[NH+](CC3CC3)CC2)cc1O ZINC000093669201 135081465 /nfs/dbraw/zinc/08/14/65/135081465.db2.gz KXBMVLKGNMYRIV-UHFFFAOYSA-N 1 0 274.364 2.127 10 0 CEAERO C[NH2+][C@]1(CO)CC[C@H](N2CCCc3cc(C)ccc32)C1 ZINC000093855509 135082789 /nfs/dbraw/zinc/08/27/89/135082789.db2.gz ODKAQHVNQXDDLF-DOTOQJQBSA-N 1 0 274.408 2.251 10 0 CEAERO NC(=[NH2+])[C@@H]1CN(c2ccnc3cc(Cl)ccc32)CCO1 ZINC000093936903 135082847 /nfs/dbraw/zinc/08/28/47/135082847.db2.gz OAVSIXYDMRTABI-ZDUSSCGKSA-N 1 0 290.754 2.029 10 0 CEAERO COCC[NH2+]C[C@H]1CCCN(c2ccncc2Cl)C1 ZINC000094272882 135085840 /nfs/dbraw/zinc/08/58/40/135085840.db2.gz VTXISBLXOACKKX-GFCCVEGCSA-N 1 0 283.803 2.187 10 0 CEAERO COCC[NH2+]CC1CCN(c2ccncc2Cl)CC1 ZINC000094272844 135085979 /nfs/dbraw/zinc/08/59/79/135085979.db2.gz SPGKLAPGNQDTIQ-UHFFFAOYSA-N 1 0 283.803 2.187 10 0 CEAERO C[C@@H](O)c1ccc(N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000094439815 135087758 /nfs/dbraw/zinc/08/77/58/135087758.db2.gz BNNVUBDEPZJECA-CZUORRHYSA-N 1 0 260.381 2.414 10 0 CEAERO CCCCOC[C@H](O)C[N@@H+]1CCCCC[C@H]1C[C@@H](C)O ZINC000300312378 394454814 /nfs/dbraw/zinc/45/48/14/394454814.db2.gz DKDWPXOFZFHWMO-OWCLPIDISA-N 1 0 287.444 2.180 10 0 CEAERO CCC[NH+]1CCC(Nc2nccnc2C(C)C)CC1 ZINC000413034223 394470117 /nfs/dbraw/zinc/47/01/17/394470117.db2.gz NIZCLBGZTRHASL-UHFFFAOYSA-N 1 0 262.401 2.308 10 0 CEAERO C[C@@H]1CN(C(=O)c2ccccc2C(F)(F)F)C[C@H]1[NH3+] ZINC000235368537 394483817 /nfs/dbraw/zinc/48/38/17/394483817.db2.gz DVVQCKWKCXTLQV-LDYMZIIASA-N 1 0 272.270 2.125 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[C@]23CCc2ccccc23)C1 ZINC000246761090 394521374 /nfs/dbraw/zinc/52/13/74/394521374.db2.gz QMHQYXFALWYWFN-WDYCEAGBSA-N 1 0 298.430 2.491 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC1(C)CCCC1 ZINC000247058527 394525403 /nfs/dbraw/zinc/52/54/03/394525403.db2.gz HFDZDMNRXOVZBM-KGLIPLIRSA-N 1 0 279.428 2.445 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)NCc2cccs2)C1 ZINC000048732521 394525668 /nfs/dbraw/zinc/52/56/68/394525668.db2.gz QJEUFYZLPXSTSN-NSHDSACASA-N 1 0 267.398 2.032 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC000247063600 394526315 /nfs/dbraw/zinc/52/63/15/394526315.db2.gz IQZSQVZGNDZGSM-MRLBHPIUSA-N 1 0 264.413 2.268 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCC1CCOCC1 ZINC000311460184 394537474 /nfs/dbraw/zinc/53/74/74/394537474.db2.gz FSTPKHNGOUZMCI-HZPDHXFCSA-N 1 0 266.429 2.362 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCCC3(CC3)C2)C1 ZINC000248717552 394546342 /nfs/dbraw/zinc/54/63/42/394546342.db2.gz NVVVCFGETGYHQF-ZIAGYGMSSA-N 1 0 279.428 2.301 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(OC)nc1 ZINC000094449663 394671141 /nfs/dbraw/zinc/67/11/41/394671141.db2.gz NRVATKGIFLEGGZ-HUUCEWRRSA-N 1 0 275.396 2.149 10 0 CEAERO C[C@H]1CN(Cc2c(F)cccc2N2CCCC2)C[C@H]1[NH3+] ZINC000262012316 394610958 /nfs/dbraw/zinc/61/09/58/394610958.db2.gz MIXOEXOYWGZAMS-SWLSCSKDSA-N 1 0 277.387 2.205 10 0 CEAERO C[C@H](Nc1nc2ccccc2n1C)[C@H]1CCC[NH2+]C1 ZINC000079047998 394630344 /nfs/dbraw/zinc/63/03/44/394630344.db2.gz BHXDNCXTNKAVPA-RYUDHWBXSA-N 1 0 258.369 2.373 10 0 CEAERO CCCC[C@H](COC)NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000121124259 394792523 /nfs/dbraw/zinc/79/25/23/394792523.db2.gz VHENRYPEQUACHZ-RRFJBIMHSA-N 1 0 299.459 2.220 10 0 CEAERO CC[C@H]1CCN(C(=O)N[C@H](CC(C)C)C[NH+](C)C)C1 ZINC000122410800 394813650 /nfs/dbraw/zinc/81/36/50/394813650.db2.gz UEOFJPSUZXNRSL-UONOGXRCSA-N 1 0 269.433 2.404 10 0 CEAERO CC[NH+](CC)CCN(CC(C)C)C(=O)[C@@H]1CC[C@H](C)O1 ZINC000133532046 394953409 /nfs/dbraw/zinc/95/34/09/394953409.db2.gz AFPHUERMUXVAPQ-GJZGRUSLSA-N 1 0 284.444 2.380 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)c1nc2ccccc2[nH]1 ZINC000135039052 394962807 /nfs/dbraw/zinc/96/28/07/394962807.db2.gz RIJMOAGJEVCXGH-GFCCVEGCSA-N 1 0 258.369 2.483 10 0 CEAERO Fc1ccccc1CC[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000137589633 394972494 /nfs/dbraw/zinc/97/24/94/394972494.db2.gz ZJHDHZBXCBVXQB-AWEZNQCLSA-N 1 0 274.343 2.297 10 0 CEAERO C[C@@H]1CCN(c2ncnc3ccsc32)C[C@@H]1C[NH3+] ZINC000164011673 395085243 /nfs/dbraw/zinc/08/52/43/395085243.db2.gz YFCGIUUATGAIPG-ZJUUUORDSA-N 1 0 262.382 2.112 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ncccc1C ZINC000173333742 395111722 /nfs/dbraw/zinc/11/17/22/395111722.db2.gz NBVSGQKFBAGWHJ-UONOGXRCSA-N 1 0 288.395 2.481 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCCC(=O)OC(C)(C)C ZINC000181882189 395225811 /nfs/dbraw/zinc/22/58/11/395225811.db2.gz OEIVBCRIPAMTCN-ZIAGYGMSSA-N 1 0 282.428 2.277 10 0 CEAERO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000399210195 395243517 /nfs/dbraw/zinc/24/35/17/395243517.db2.gz RBMORZJVGBCXPU-BBRMVZONSA-N 1 0 271.364 2.218 10 0 CEAERO CN(CCOCc1ccccc1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000384009833 395189159 /nfs/dbraw/zinc/18/91/59/395189159.db2.gz KSRXXDAYCYYAOV-CVEARBPZSA-N 1 0 290.407 2.037 10 0 CEAERO CN(CCOCc1ccccc1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000384009838 395189442 /nfs/dbraw/zinc/18/94/42/395189442.db2.gz KSRXXDAYCYYAOV-JKSUJKDBSA-N 1 0 290.407 2.037 10 0 CEAERO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCCN(CCO)C2)CC1 ZINC000384427460 395193717 /nfs/dbraw/zinc/19/37/17/395193717.db2.gz DMLSVNXABDJBNF-ILXRZTDVSA-N 1 0 254.418 2.002 10 0 CEAERO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CN(C)CCO1 ZINC000180496922 395203993 /nfs/dbraw/zinc/20/39/93/395203993.db2.gz VOJVLHNSHXXYKN-IRXDYDNUSA-N 1 0 294.414 2.313 10 0 CEAERO Fc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCc2ncnn2C1 ZINC000180605472 395204991 /nfs/dbraw/zinc/20/49/91/395204991.db2.gz DATCQENWQNGASI-TZMCWYRMSA-N 1 0 272.327 2.009 10 0 CEAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)C1CCCC1)CC2 ZINC000180616759 395205258 /nfs/dbraw/zinc/20/52/58/395205258.db2.gz NYHIASSDVRCHLY-DGCLKSJQSA-N 1 0 262.401 2.324 10 0 CEAERO Cc1cc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)sn1 ZINC000404316402 395280729 /nfs/dbraw/zinc/28/07/29/395280729.db2.gz OPRRNQBCYYBLAI-NEPJUHHUSA-N 1 0 251.399 2.120 10 0 CEAERO CC(C)N(C(=O)C[NH+]1CCC(c2cc[nH]n2)CC1)C(C)C ZINC000195506649 395467157 /nfs/dbraw/zinc/46/71/57/395467157.db2.gz UWVRMEVUTVJBKO-UHFFFAOYSA-N 1 0 292.427 2.235 10 0 CEAERO N[C@]1(c2ccns2)CC[N@H+](Cc2ccccc2)C1 ZINC000575451606 395664405 /nfs/dbraw/zinc/66/44/05/395664405.db2.gz SVSUCDCHSBLSCT-CQSZACIVSA-N 1 0 259.378 2.203 10 0 CEAERO C[C@@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)c1ccccc1Br ZINC000647907287 395771339 /nfs/dbraw/zinc/77/13/39/395771339.db2.gz GUTRUIDRSLTMHI-BBBLOLIVSA-N 1 0 297.196 2.364 10 0 CEAERO CC[C@@H]1CN(Cc2nccn2C(C)C)CC[C@H]1[NH3+] ZINC000649416533 396149435 /nfs/dbraw/zinc/14/94/35/396149435.db2.gz CYAUZVOWSWAYKJ-CHWSQXEVSA-N 1 0 250.390 2.023 10 0 CEAERO COC1(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CCCC1 ZINC000336796942 292122728 /nfs/dbraw/zinc/12/27/28/292122728.db2.gz XJIZOKSICCNWSR-XQQFMLRXSA-N 1 0 253.386 2.349 10 0 CEAERO [NH3+]C1CCC(C(=O)Nc2ccccc2-n2ccnc2)CC1 ZINC000037626940 400117881 /nfs/dbraw/zinc/11/78/81/400117881.db2.gz NZDICJJYFBTGHL-UHFFFAOYSA-N 1 0 284.363 2.328 10 0 CEAERO CC(C)COc1ccc([C@@H](C)[NH2+]CCC(N)=O)cc1 ZINC000036746865 400111416 /nfs/dbraw/zinc/11/14/16/400111416.db2.gz YSEIWUXIHPFNES-GFCCVEGCSA-N 1 0 264.369 2.247 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc(OCC)cc1 ZINC000037046183 400114155 /nfs/dbraw/zinc/11/41/55/400114155.db2.gz FJBMUUXJUCBYRU-FZMZJTMJSA-N 1 0 264.369 2.390 10 0 CEAERO [NH3+]C1CCC(C(=O)Nc2cccc(F)c2F)CC1 ZINC000040231037 400124687 /nfs/dbraw/zinc/12/46/87/400124687.db2.gz VTWRLEMIHXTNOP-UHFFFAOYSA-N 1 0 254.280 2.421 10 0 CEAERO COCCNC(=[NH2+])c1ccc(Br)cc1 ZINC000062995076 400240893 /nfs/dbraw/zinc/24/08/93/400240893.db2.gz AVGFYQQLJDANGW-UHFFFAOYSA-N 1 0 257.131 2.010 10 0 CEAERO CC[C@@H]1CN(c2cncc(Br)c2)CC[C@@H]1[NH3+] ZINC000300778218 400330571 /nfs/dbraw/zinc/33/05/71/400330571.db2.gz RHGHDFHRFLNNGA-SKDRFNHKSA-N 1 0 284.201 2.408 10 0 CEAERO [NH3+][C@@H]1CCN(c2cc(F)cc(Br)c2)C1 ZINC000307017291 400337669 /nfs/dbraw/zinc/33/76/69/400337669.db2.gz PXYXHPRPRSMAQR-SECBINFHSA-N 1 0 259.122 2.126 10 0 CEAERO CC[N@@H+]1CC[C@H](Nc2ncc(Br)cc2F)C1 ZINC000389301534 400536742 /nfs/dbraw/zinc/53/67/42/400536742.db2.gz ZSQBBXWWSGLLLK-VIFPVBQESA-N 1 0 288.164 2.489 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1cccn1Cc1ccccc1 ZINC000393641268 400546101 /nfs/dbraw/zinc/54/61/01/400546101.db2.gz IWZVDKAVOCGDAR-HZPDHXFCSA-N 1 0 297.402 2.394 10 0 CEAERO CC(C)(C)OC[C@@H](O)C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000189170074 153083697 /nfs/dbraw/zinc/08/36/97/153083697.db2.gz JVLMIZXWKULINP-LSDHHAIUSA-N 1 0 285.428 2.053 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc2ccccc2o1 ZINC000189306547 153090461 /nfs/dbraw/zinc/09/04/61/153090461.db2.gz HVQCWJZNKGQGOV-PWSUYJOCSA-N 1 0 258.321 2.303 10 0 CEAERO CC(C)OC1CC([NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)C1 ZINC000189529703 153097708 /nfs/dbraw/zinc/09/77/08/153097708.db2.gz RDPXHZSEWPXEIH-IYXRBSQSSA-N 1 0 292.427 2.262 10 0 CEAERO C[C@@H]1OCCC[C@H]1C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000189903722 153109194 /nfs/dbraw/zinc/10/91/94/153109194.db2.gz FBJMIQLGBVLDHB-GOEBONIOSA-N 1 0 296.455 2.382 10 0 CEAERO C[C@H]1OCCC[C@@H]1C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000189858090 153111176 /nfs/dbraw/zinc/11/11/76/153111176.db2.gz FPZKCXQZWKALGY-CABCVRRESA-N 1 0 296.455 2.382 10 0 CEAERO CCC(C)(C)CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000190775005 153142125 /nfs/dbraw/zinc/14/21/25/153142125.db2.gz ZEDAFAGDMOGXEB-CYBMUJFWSA-N 1 0 267.417 2.302 10 0 CEAERO CC(C)=CCNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000191119610 153160791 /nfs/dbraw/zinc/16/07/91/153160791.db2.gz HRWIKXDXIGKKPG-CYBMUJFWSA-N 1 0 255.406 2.228 10 0 CEAERO CC(C)[NH+](CCNC(=O)[C@@H]1CCCO[C@H]1C)C(C)C ZINC000191297768 153169497 /nfs/dbraw/zinc/16/94/97/153169497.db2.gz KIGRZEXAJKEKGF-UONOGXRCSA-N 1 0 270.417 2.037 10 0 CEAERO CC(C)n1nnnc1C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000195052569 153270237 /nfs/dbraw/zinc/27/02/37/153270237.db2.gz GGLPFPASASHCJM-OAHLLOKOSA-N 1 0 285.395 2.461 10 0 CEAERO Cc1csc([C@@H]2CCC[N@H+](CCN3CCCC3=O)C2)n1 ZINC000195322721 153280185 /nfs/dbraw/zinc/28/01/85/153280185.db2.gz GQVHNVZETQRYDM-CYBMUJFWSA-N 1 0 293.436 2.253 10 0 CEAERO O=C(c1ccc2c(c1)CCCC2)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195319500 153280343 /nfs/dbraw/zinc/28/03/43/153280343.db2.gz ABICMMWCPHVDNW-QGZVFWFLSA-N 1 0 284.403 2.486 10 0 CEAERO CC(=O)NCCCN1CCCC[C@H]1c1nccs1 ZINC000195372353 153287518 /nfs/dbraw/zinc/28/75/18/153287518.db2.gz OGDIDRARGCEDSZ-LBPRGKRZSA-N 1 0 267.398 2.196 10 0 CEAERO CCCCS[C@@H](C)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195336560 153289446 /nfs/dbraw/zinc/28/94/46/153289446.db2.gz PSCSVXDGGUSCKG-QWHCGFSZSA-N 1 0 270.442 2.215 10 0 CEAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000223147474 153317433 /nfs/dbraw/zinc/31/74/33/153317433.db2.gz YHAVQLFBQVKALF-RBSFLKMASA-N 1 0 267.461 2.178 10 0 CEAERO OCC[C@H]1CC[N@H+](Cc2cccc3cccnc32)C1 ZINC000227567772 153345634 /nfs/dbraw/zinc/34/56/34/153345634.db2.gz OUGCQOYVMYZXBM-CYBMUJFWSA-N 1 0 256.349 2.439 10 0 CEAERO CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](CCO)C1 ZINC000227568716 153346122 /nfs/dbraw/zinc/34/61/22/153346122.db2.gz AJWVDEHCSWKMPR-GJZGRUSLSA-N 1 0 284.444 2.022 10 0 CEAERO OCC[C@@H]1CC[N@H+](Cc2cc(-c3ccco3)on2)C1 ZINC000227566991 153346178 /nfs/dbraw/zinc/34/61/78/153346178.db2.gz JLBCZDQKCQBVOO-NSHDSACASA-N 1 0 262.309 2.139 10 0 CEAERO OCC[C@H]1CC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000227573839 153348374 /nfs/dbraw/zinc/34/83/74/153348374.db2.gz KPTNUENQYFDCCV-CYBMUJFWSA-N 1 0 256.349 2.439 10 0 CEAERO C[C@@H](O)C[C@@H](C)[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000228076112 153355533 /nfs/dbraw/zinc/35/55/33/153355533.db2.gz VJBYGDCXNABKJA-CHWSQXEVSA-N 1 0 259.353 2.121 10 0 CEAERO OCc1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)cc1 ZINC000228217652 153364732 /nfs/dbraw/zinc/36/47/32/153364732.db2.gz WFHGVVRFWSTGHA-CVEARBPZSA-N 1 0 261.365 2.322 10 0 CEAERO Cc1ccc(CC(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000259241262 153751204 /nfs/dbraw/zinc/75/12/04/153751204.db2.gz SAKDMFVQXKRDPE-AWEZNQCLSA-N 1 0 260.381 2.123 10 0 CEAERO CC1(C)CN(C(=O)Cc2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000261565957 153764805 /nfs/dbraw/zinc/76/48/05/153764805.db2.gz GHJIQBXYRIWLOG-ZDUSSCGKSA-N 1 0 280.799 2.468 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)c1ccc(Br)c(C)c1 ZINC000261572846 153768201 /nfs/dbraw/zinc/76/82/01/153768201.db2.gz IKEQPGHQKLCDSH-SECBINFHSA-N 1 0 285.185 2.095 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)c1cc(C)cc(Br)c1 ZINC000261575426 153768794 /nfs/dbraw/zinc/76/87/94/153768794.db2.gz JRSVBAQGOOHXNK-SECBINFHSA-N 1 0 285.185 2.095 10 0 CEAERO CC1CCC(N(C)C(=O)CN2CC[C@H](C)C[C@H]2C[NH3+])CC1 ZINC000261595033 153784454 /nfs/dbraw/zinc/78/44/54/153784454.db2.gz CVNWBTNAINBKAB-GRAKBVBRSA-N 1 0 295.471 2.083 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000261639909 153792919 /nfs/dbraw/zinc/79/29/19/153792919.db2.gz DGSGUJXRNXHKEE-YUSALJHKSA-N 1 0 298.333 2.116 10 0 CEAERO CCc1ccccc1C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261631251 153793842 /nfs/dbraw/zinc/79/38/42/153793842.db2.gz VZTBFMYHIPHRKT-AWEZNQCLSA-N 1 0 260.381 2.448 10 0 CEAERO CCc1ccc([C@H](C)NC(=O)[C@H]([NH3+])C2CCOCC2)cc1 ZINC000261894062 153872515 /nfs/dbraw/zinc/87/25/15/153872515.db2.gz VWRQGNOKSMSEFF-BLLLJJGKSA-N 1 0 290.407 2.180 10 0 CEAERO Cc1ccc(OC2CCN(C(=O)C[C@H](C)[NH3+])CC2)cc1C ZINC000261912700 153876603 /nfs/dbraw/zinc/87/66/03/153876603.db2.gz WPHYDNJPPZRIPT-AWEZNQCLSA-N 1 0 290.407 2.411 10 0 CEAERO CC1(C)CN(C(=O)CCC(=O)c2ccccc2)CC[C@@H]1[NH3+] ZINC000262039065 153898980 /nfs/dbraw/zinc/89/89/80/153898980.db2.gz PZBRMVFBJHQDGS-HNNXBMFYSA-N 1 0 288.391 2.235 10 0 CEAERO O=C(N[C@@H](c1ccccc1)C1CCCC1)C1C[NH2+]C1 ZINC000262277883 153935714 /nfs/dbraw/zinc/93/57/14/153935714.db2.gz UZQOUFANTVNOJF-HNNXBMFYSA-N 1 0 258.365 2.254 10 0 CEAERO Cc1nc([C@@H](C)NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)cs1 ZINC000262458660 153952588 /nfs/dbraw/zinc/95/25/88/153952588.db2.gz WUKAZAOEXMSOPF-IFUGULHKSA-N 1 0 293.436 2.409 10 0 CEAERO CN1CC[NH2+]C[C@H]1c1noc(-c2cccc3ccccc32)n1 ZINC000263269652 154046252 /nfs/dbraw/zinc/04/62/52/154046252.db2.gz SANFZEHXTFTYGT-HNNXBMFYSA-N 1 0 294.358 2.466 10 0 CEAERO C[C@H](NC(=O)C1C[NH2+]C1)c1cccc(Cl)c1Cl ZINC000263342012 154062726 /nfs/dbraw/zinc/06/27/26/154062726.db2.gz XXKGHOFAOCGMKS-ZETCQYMHSA-N 1 0 273.163 2.390 10 0 CEAERO O=C([O-])C[N@H+](CC1CC1)C1CC([NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000263529549 154116805 /nfs/dbraw/zinc/11/68/05/154116805.db2.gz VSBWFIQHKYFDLZ-FJBKBRRZSA-N 1 0 292.423 2.092 10 0 CEAERO CN(C)c1nccnc1N1CCC(CCC[NH+](C)C)CC1 ZINC000302188357 154186741 /nfs/dbraw/zinc/18/67/41/154186741.db2.gz JPEYKRBCTYJBJB-UHFFFAOYSA-N 1 0 291.443 2.101 10 0 CEAERO C[C@@H]1CN(C(=O)NC2CCC(C)CC2)C[C@@H]1[NH+](C)C ZINC000362665108 155919167 /nfs/dbraw/zinc/91/91/67/155919167.db2.gz CRFQLZCTGDFXER-HHTDUIENSA-N 1 0 267.417 2.157 10 0 CEAERO CCCCc1noc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2CC)n1 ZINC000152302841 162305032 /nfs/dbraw/zinc/30/50/32/162305032.db2.gz XMJDEMJXXGZROL-UONOGXRCSA-N 1 0 292.427 2.471 10 0 CEAERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000155921987 162307773 /nfs/dbraw/zinc/30/77/73/162307773.db2.gz OKGZPQVGTXAWKQ-ZNMIVQPWSA-N 1 0 290.407 2.281 10 0 CEAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H](C)CCn1cccn1 ZINC000158818285 162309698 /nfs/dbraw/zinc/30/96/98/162309698.db2.gz QFWLGVLPJJQFEA-LSDHHAIUSA-N 1 0 266.433 2.228 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]CC2(CCO)CC2)c1C ZINC000157513483 162310272 /nfs/dbraw/zinc/31/02/72/162310272.db2.gz MLWUFJBGBBGCFM-NSHDSACASA-N 1 0 265.401 2.333 10 0 CEAERO COC[C@H]([NH3+])C(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000159821433 162317007 /nfs/dbraw/zinc/31/70/07/162317007.db2.gz WLGQJNUFJTYSGT-HQJQHLMTSA-N 1 0 291.178 2.144 10 0 CEAERO C[C@H]([NH3+])[C@H]1CCCN(c2ccncc2Br)C1 ZINC000159905970 162319939 /nfs/dbraw/zinc/31/99/39/162319939.db2.gz ZGCPWYIPXRGDJC-UWVGGRQHSA-N 1 0 284.201 2.408 10 0 CEAERO COc1ccc(Cl)cc1CN1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000167326028 162357240 /nfs/dbraw/zinc/35/72/40/162357240.db2.gz GVWUSHZYCYWGFN-KGLIPLIRSA-N 1 0 298.814 2.287 10 0 CEAERO CC(C)(C)c1csc(CCNC(=O)[C@H]2CC[C@@H]([NH3+])C2)n1 ZINC000167751809 162360262 /nfs/dbraw/zinc/36/02/62/162360262.db2.gz YSRBEZVIMWYIQH-WDEREUQCSA-N 1 0 295.452 2.227 10 0 CEAERO Cc1cnn([C@H]2CCC[N@H+](CC3CCOCC3)C2)c1 ZINC000171829049 162390003 /nfs/dbraw/zinc/39/00/03/162390003.db2.gz IDFNODNGJIJXSI-HNNXBMFYSA-N 1 0 263.385 2.255 10 0 CEAERO C[C@@H](NC(=O)CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000019399334 286938920 /nfs/dbraw/zinc/93/89/20/286938920.db2.gz LJVFSBDBUVBWQY-QFGHMXTESA-N 1 0 250.386 2.056 10 0 CEAERO CCn1c(C)nnc1C[N@@H+]1CC[C@@H](CC(C)C)C1 ZINC000173908195 165087549 /nfs/dbraw/zinc/08/75/49/165087549.db2.gz OTIGHDNKDZSOST-ZDUSSCGKSA-N 1 0 250.390 2.474 10 0 CEAERO C[C@@H](c1cccc(F)c1)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173940241 165092133 /nfs/dbraw/zinc/09/21/33/165092133.db2.gz QYNNFFSGPCFEII-BBRMVZONSA-N 1 0 278.371 2.293 10 0 CEAERO CCC[C@@H](C)CS(=O)(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000175399354 165133749 /nfs/dbraw/zinc/13/37/49/165133749.db2.gz QLCUCYMSKJPASL-KGLIPLIRSA-N 1 0 290.473 2.169 10 0 CEAERO CCC1CCC(NC(=O)N(C)CC[NH+](C)C)CC1 ZINC000176245026 165159434 /nfs/dbraw/zinc/15/94/34/165159434.db2.gz KQXJNNSNUQTVKO-UHFFFAOYSA-N 1 0 255.406 2.158 10 0 CEAERO Fc1ccc(OCCN2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000177759913 165205651 /nfs/dbraw/zinc/20/56/51/165205651.db2.gz BPVDXMZQXNXNGF-OAHLLOKOSA-N 1 0 278.371 2.375 10 0 CEAERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1ncnn1C ZINC000178157524 165222971 /nfs/dbraw/zinc/22/29/71/165222971.db2.gz ZTIBYTZXVYZIGD-JHJVBQTASA-N 1 0 250.390 2.366 10 0 CEAERO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)CCCOC ZINC000178416938 165240210 /nfs/dbraw/zinc/24/02/10/165240210.db2.gz CUIDUPTVOTYFNX-NWDGAFQWSA-N 1 0 266.389 2.080 10 0 CEAERO COc1ccccc1C[C@@H](C)CC(=O)NCC[C@@H](C)[NH3+] ZINC000178619256 165252515 /nfs/dbraw/zinc/25/25/15/165252515.db2.gz RXJBSKGTWXLQEG-CHWSQXEVSA-N 1 0 278.396 2.117 10 0 CEAERO CC(C)c1nc([C@H]2CCCN2CC2CC[NH2+]CC2)no1 ZINC000178971370 165263923 /nfs/dbraw/zinc/26/39/23/165263923.db2.gz HCYPRCLKEPKCMS-CYBMUJFWSA-N 1 0 278.400 2.330 10 0 CEAERO CCc1nc2c(s1)[C@H]([NH2+]C[C@H]1CN(C)CCO1)CCC2 ZINC000180501571 165313870 /nfs/dbraw/zinc/31/38/70/165313870.db2.gz QZMPXNSYSSLCKG-NWDGAFQWSA-N 1 0 295.452 2.003 10 0 CEAERO CCc1nc2c(s1)[C@H]([NH2+]C[C@@H]1CN(C)CCO1)CCC2 ZINC000180501530 165314002 /nfs/dbraw/zinc/31/40/02/165314002.db2.gz QZMPXNSYSSLCKG-VXGBXAGGSA-N 1 0 295.452 2.003 10 0 CEAERO COCCC[C@H](C)[NH2+][C@H]1CCc2nc(C(C)C)nn2C1 ZINC000180647191 165316481 /nfs/dbraw/zinc/31/64/81/165316481.db2.gz LCIUFFSRBGUUMA-STQMWFEESA-N 1 0 280.416 2.121 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCC[C@@H]1CCCCO1 ZINC000181795952 165355815 /nfs/dbraw/zinc/35/58/15/165355815.db2.gz UPGVQOZYHZRURQ-CABCVRRESA-N 1 0 297.443 2.071 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc2nccn21 ZINC000182076584 165361690 /nfs/dbraw/zinc/36/16/90/165361690.db2.gz IIFWPGGXERWQJS-HUUCEWRRSA-N 1 0 284.407 2.393 10 0 CEAERO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](CCOC)C(C)C ZINC000182231078 165367151 /nfs/dbraw/zinc/36/71/51/165367151.db2.gz IPVJTVLBMHGUKI-QWHCGFSZSA-N 1 0 280.416 2.326 10 0 CEAERO C[C@H](C[NH2+]C1C2CC3CC(C2)CC1C3)CS(C)(=O)=O ZINC000339390610 298770983 /nfs/dbraw/zinc/77/09/83/298770983.db2.gz DBGHOOMHGWNSCL-IBEXFIOLSA-N 1 0 285.453 2.081 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=S)Nc2ccccc2)C1 ZINC000004774205 170015064 /nfs/dbraw/zinc/01/50/64/170015064.db2.gz WDGSTMYQKKBSCO-ZDUSSCGKSA-N 1 0 263.410 2.457 10 0 CEAERO CC[NH+](CC)C[C@H](C)OC(=O)c1ccc2c(c1)OCCO2 ZINC000006274575 170187471 /nfs/dbraw/zinc/18/74/71/170187471.db2.gz MXLHOQXRYXOLGT-LBPRGKRZSA-N 1 0 293.363 2.345 10 0 CEAERO Cc1ccc([C@H](C[NH3+])S(=O)(=O)c2ccccc2)cc1 ZINC000008031193 170315155 /nfs/dbraw/zinc/31/51/55/170315155.db2.gz RPKPAKCOPXJTHT-HNNXBMFYSA-N 1 0 275.373 2.469 10 0 CEAERO C[NH2+]CC(=O)Nc1ccc(C)cc1C(=O)c1ccccc1 ZINC000008549608 170339626 /nfs/dbraw/zinc/33/96/26/170339626.db2.gz WJRNUTCGISCBRO-UHFFFAOYSA-N 1 0 282.343 2.384 10 0 CEAERO O=C(CCc1ccccc1)NCC[C@H]1CCCC[NH2+]1 ZINC000019485117 170812131 /nfs/dbraw/zinc/81/21/31/170812131.db2.gz XDLWVSONWAQKAE-OAHLLOKOSA-N 1 0 260.381 2.268 10 0 CEAERO Cc1cc(Cl)ccc1NC(=O)CSCC[NH3+] ZINC000019687321 170840461 /nfs/dbraw/zinc/84/04/61/170840461.db2.gz OFRGOIAVRKFGSL-UHFFFAOYSA-N 1 0 258.774 2.279 10 0 CEAERO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000284504950 196071973 /nfs/dbraw/zinc/07/19/73/196071973.db2.gz HLGICPSLAHZDKN-QWHCGFSZSA-N 1 0 289.297 2.287 10 0 CEAERO Cc1ncsc1CCOc1ccc(C(N)=[NH2+])cc1 ZINC000019866268 170899691 /nfs/dbraw/zinc/89/96/91/170899691.db2.gz YZJZYLCDIPBLJB-UHFFFAOYSA-N 1 0 261.350 2.357 10 0 CEAERO CC(=O)NCC[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000020148829 171037029 /nfs/dbraw/zinc/03/70/29/171037029.db2.gz FVMRBCHBGMMQPV-VIFPVBQESA-N 1 0 274.286 2.492 10 0 CEAERO C[NH+]1CCC(Nc2cccc(-c3nnco3)c2)CC1 ZINC000020187149 171051684 /nfs/dbraw/zinc/05/16/84/171051684.db2.gz PRJAEZWFSJVPSA-UHFFFAOYSA-N 1 0 258.325 2.243 10 0 CEAERO COCCOCCC[NH2+]CCCc1ccccc1 ZINC000020192790 171058857 /nfs/dbraw/zinc/05/88/57/171058857.db2.gz RFNJRRUGCGYUCN-UHFFFAOYSA-N 1 0 251.370 2.262 10 0 CEAERO [NH3+]CCc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000020224444 171087107 /nfs/dbraw/zinc/08/71/07/171087107.db2.gz REZXTIRLOCBAHE-UHFFFAOYSA-N 1 0 294.351 2.128 10 0 CEAERO CC(C)(C)C(=O)Nc1cccc(OCCC[NH3+])c1 ZINC000020224693 171087652 /nfs/dbraw/zinc/08/76/52/171087652.db2.gz KZTNZVBEFZDCSE-UHFFFAOYSA-N 1 0 250.342 2.399 10 0 CEAERO [NH3+]C[C@@H](c1ccc(F)cc1F)N1CCSCC1 ZINC000020257062 171111370 /nfs/dbraw/zinc/11/13/70/171111370.db2.gz RFGRDFBDWRDTGJ-LBPRGKRZSA-N 1 0 258.337 2.013 10 0 CEAERO c1ccc2sc(C[NH2+][C@@H]3CN4CCC3CC4)nc2c1 ZINC000020309902 171143955 /nfs/dbraw/zinc/14/39/55/171143955.db2.gz CBZBXAKQFTZIEN-CYBMUJFWSA-N 1 0 273.405 2.480 10 0 CEAERO CCN(CC)C(=O)[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC000020364500 171163177 /nfs/dbraw/zinc/16/31/77/171163177.db2.gz RYQWRZVWUYRFCI-LLVKDONJSA-N 1 0 252.333 2.172 10 0 CEAERO CC[C@H](C)NC(=O)[C@@H](C)Oc1ccc([C@@H](C)[NH3+])cc1OC ZINC000020419851 171185351 /nfs/dbraw/zinc/18/53/51/171185351.db2.gz DFXWFWMBAZEDGS-QJPTWQEYSA-N 1 0 294.395 2.397 10 0 CEAERO [NH3+]Cc1cccc(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000021960201 171342415 /nfs/dbraw/zinc/34/24/15/171342415.db2.gz GISUMJCDOBBCKN-UHFFFAOYSA-N 1 0 280.324 2.085 10 0 CEAERO Cc1c(N)cccc1NC(=O)CCC[NH+]1CCCC1 ZINC000022151691 171359054 /nfs/dbraw/zinc/35/90/54/171359054.db2.gz NTUCPMBZLZGNEI-UHFFFAOYSA-N 1 0 261.369 2.392 10 0 CEAERO C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(F)cc2N)C1 ZINC000022152556 171359745 /nfs/dbraw/zinc/35/97/45/171359745.db2.gz FTIMMIPHWSXEBV-LLVKDONJSA-N 1 0 279.359 2.468 10 0 CEAERO COc1ccc(N)cc1NC(=O)C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000022167325 171366185 /nfs/dbraw/zinc/36/61/85/171366185.db2.gz XQZXFOFSNFNQMP-RYUDHWBXSA-N 1 0 291.395 2.479 10 0 CEAERO CCCCS(=O)(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000022166781 171366421 /nfs/dbraw/zinc/36/64/21/171366421.db2.gz VNXKKOKPKKVROP-JTQLQIEISA-N 1 0 256.371 2.248 10 0 CEAERO CC(C)CNC(=O)COc1ccc(CC[C@H](C)[NH3+])cc1 ZINC000022168860 171367283 /nfs/dbraw/zinc/36/72/83/171367283.db2.gz XOWOHLDASUICDC-ZDUSSCGKSA-N 1 0 278.396 2.117 10 0 CEAERO CC[C@@H](C)NC(=O)COc1ccccc1[C@@H]([NH3+])CC ZINC000022174348 171369245 /nfs/dbraw/zinc/36/92/45/171369245.db2.gz YUNZRUUYWLHQRT-YPMHNXCESA-N 1 0 264.369 2.390 10 0 CEAERO [NH3+]Cc1ccc(NC(=O)CCCOCC(F)(F)F)cc1 ZINC000022175082 171369740 /nfs/dbraw/zinc/36/97/40/171369740.db2.gz KDFWDFWUPVNDAX-UHFFFAOYSA-N 1 0 290.285 2.443 10 0 CEAERO CN(C(=O)c1ccc(Cl)c(N)c1)C1CC[NH+](C)CC1 ZINC000022175131 171370002 /nfs/dbraw/zinc/37/00/02/171370002.db2.gz OGQHEUAKYCINBE-UHFFFAOYSA-N 1 0 281.787 2.088 10 0 CEAERO C[C@H]1CN([C@@H](C[NH3+])c2cccc(C(F)(F)F)c2)CCO1 ZINC000022222009 171378614 /nfs/dbraw/zinc/37/86/14/171378614.db2.gz DXGHJBSVXNUONK-GWCFXTLKSA-N 1 0 288.313 2.426 10 0 CEAERO [NH3+][C@@H](CN1CCc2ccccc21)c1ccc2c(c1)OCO2 ZINC000022563702 171391263 /nfs/dbraw/zinc/39/12/63/171391263.db2.gz JWYUIKAOCQSYMY-AWEZNQCLSA-N 1 0 282.343 2.478 10 0 CEAERO C[C@@H]1CC[C@@H]([NH3+])[C@@H](Oc2ccc3c(c2)CCC(=O)N3)C1 ZINC000022566967 171392459 /nfs/dbraw/zinc/39/24/59/171392459.db2.gz ROHIGGVISGFJOT-YVLXSGLVSA-N 1 0 274.364 2.466 10 0 CEAERO [NH3+][C@@H](CN1CCCC1=O)C12CC3CC(CC(C3)C1)C2 ZINC000023068225 171408672 /nfs/dbraw/zinc/40/86/72/171408672.db2.gz CBZXDPKKOOAVLN-IXUJDMMCSA-N 1 0 262.397 2.153 10 0 CEAERO CN(CCc1ccncc1)[C@H](C[NH3+])c1ccccc1F ZINC000032048997 171691138 /nfs/dbraw/zinc/69/11/38/171691138.db2.gz HSMUBVGNDZKSFK-MRXNPFEDSA-N 1 0 273.355 2.395 10 0 CEAERO [NH3+]CC1(NS(=O)(=O)c2ccccc2)CCCCCC1 ZINC000034955486 171900991 /nfs/dbraw/zinc/90/09/91/171900991.db2.gz SLHMDPBWYFHEBM-UHFFFAOYSA-N 1 0 282.409 2.017 10 0 CEAERO Cc1sc2[nH]c(C[NH2+][C@H](C)C3CC3)nc(=O)c2c1C ZINC000035142374 172009475 /nfs/dbraw/zinc/00/94/75/172009475.db2.gz DBSYFVGBCZKXGU-MRVPVSSYSA-N 1 0 277.393 2.490 10 0 CEAERO CCn1c2ccccc2c2cc(C[NH2+]CC(N)=O)ccc21 ZINC000035162101 172021947 /nfs/dbraw/zinc/02/19/47/172021947.db2.gz JHLFBZNGSHUJPS-UHFFFAOYSA-N 1 0 281.359 2.389 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)c1ccc(Cl)s1 ZINC000035252037 172082179 /nfs/dbraw/zinc/08/21/79/172082179.db2.gz XWEKJACKZWJAAS-YUMQZZPRSA-N 1 0 258.774 2.331 10 0 CEAERO CSc1ccc([C@@H](C)NC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000035255617 172085071 /nfs/dbraw/zinc/08/50/71/172085071.db2.gz IUCNXGPUOSJIIT-ZWNOBZJWSA-N 1 0 264.394 2.338 10 0 CEAERO CCOCCOc1c(Cl)cc(C[NH3+])cc1OC ZINC000035358797 172149435 /nfs/dbraw/zinc/14/94/35/172149435.db2.gz LBJWXIJXKSVQMQ-UHFFFAOYSA-N 1 0 259.733 2.223 10 0 CEAERO CCCN(C)c1nc2sccn2c1C[NH2+]CC ZINC000035430171 172199389 /nfs/dbraw/zinc/19/93/89/172199389.db2.gz DYXWEWCESNKATO-UHFFFAOYSA-N 1 0 252.387 2.352 10 0 CEAERO C[NH2+][C@H](c1cc(OC)ccc1OC)[C@@H]1CCCO1 ZINC000035466742 172214348 /nfs/dbraw/zinc/21/43/48/172214348.db2.gz GEOLBTYJAHCSEG-UONOGXRCSA-N 1 0 251.326 2.143 10 0 CEAERO C[NH2+][C@H](c1ccsc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000035488330 172222769 /nfs/dbraw/zinc/22/27/69/172222769.db2.gz QLRGAUDHCSIFBS-LBPRGKRZSA-N 1 0 259.334 2.227 10 0 CEAERO C[NH2+][C@H](CC(F)(F)F)c1ccc2c(c1)NC(=O)CO2 ZINC000035501780 172236551 /nfs/dbraw/zinc/23/65/51/172236551.db2.gz BIPIZYQDKUTXSH-SECBINFHSA-N 1 0 274.242 2.230 10 0 CEAERO CCNC(=O)[C@@H](C)Oc1ccc(C)cc1[C@@H](C)[NH2+]C ZINC000035629512 172309954 /nfs/dbraw/zinc/30/99/54/172309954.db2.gz OGRXOXABDYEWBZ-VXGBXAGGSA-N 1 0 264.369 2.179 10 0 CEAERO C[C@@H](Oc1c(Cl)cc(Cl)cc1C[NH3+])C(=O)N(C)C ZINC000035661924 172339859 /nfs/dbraw/zinc/33/98/59/172339859.db2.gz ROVRWJHGKDDRHE-SSDOTTSWSA-N 1 0 291.178 2.308 10 0 CEAERO [NH3+]C[C@H]1CCCCC[C@H]1Sc1nnnn1C1CC1 ZINC000035724226 172379467 /nfs/dbraw/zinc/37/94/67/172379467.db2.gz ZOJDICDVZQBPID-MWLCHTKSSA-N 1 0 267.402 2.008 10 0 CEAERO C[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)c1ccco1 ZINC000035738321 172391385 /nfs/dbraw/zinc/39/13/85/172391385.db2.gz HBGVXURSXVGERL-YPMHNXCESA-N 1 0 258.321 2.027 10 0 CEAERO C[C@H]1COCCN1[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000035774782 172410602 /nfs/dbraw/zinc/41/06/02/172410602.db2.gz CDIHFYFJACSQFT-IUCAKERBSA-N 1 0 260.790 2.122 10 0 CEAERO [NH3+]Cc1cccc(CNC(=O)Cc2ccc(F)cc2)c1 ZINC000036201919 172514296 /nfs/dbraw/zinc/51/42/96/172514296.db2.gz ZVEFTLTXENECBB-UHFFFAOYSA-N 1 0 272.323 2.143 10 0 CEAERO O=C(NCCC[NH2+]C1CC1)c1c[nH]c2ccccc12 ZINC000036262997 172555837 /nfs/dbraw/zinc/55/58/37/172555837.db2.gz GUDVHAYPYBRHQH-UHFFFAOYSA-N 1 0 257.337 2.040 10 0 CEAERO CC[C@H](CC(N)=[NH2+])Sc1nnc2n1CCCCC2 ZINC000036681356 172652175 /nfs/dbraw/zinc/65/21/75/172652175.db2.gz OGKGUTVHOLDVQT-SECBINFHSA-N 1 0 267.402 2.201 10 0 CEAERO COc1cccc(N(CCC[NH3+])CC(F)(F)F)c1 ZINC000036730961 172662359 /nfs/dbraw/zinc/66/23/59/172662359.db2.gz ORRLXLAMMILRIV-UHFFFAOYSA-N 1 0 262.275 2.413 10 0 CEAERO Cc1ccc([C@H](C)[NH2+][C@@]2(C)CCS(=O)(=O)C2)cc1 ZINC000036945042 172820694 /nfs/dbraw/zinc/82/06/94/172820694.db2.gz RIJMEJOVHHITLL-JSGCOSHPSA-N 1 0 267.394 2.223 10 0 CEAERO [NH3+]CC[C@H](Oc1ccc2c(c1)OCO2)C(F)(F)F ZINC000037179393 173013132 /nfs/dbraw/zinc/01/31/32/173013132.db2.gz LQDUZEWPRXEYJE-JTQLQIEISA-N 1 0 263.215 2.074 10 0 CEAERO CN(C)C(=O)C[NH2+]C1c2ccccc2-c2ccccc21 ZINC000037207178 173028522 /nfs/dbraw/zinc/02/85/22/173028522.db2.gz UNKLFUFMFMAYMX-UHFFFAOYSA-N 1 0 266.344 2.434 10 0 CEAERO CC(C)OCCOC(=O)Nc1cccc(C[NH3+])c1 ZINC000037222943 173043040 /nfs/dbraw/zinc/04/30/40/173043040.db2.gz UUUDKBXCEUQDSA-UHFFFAOYSA-N 1 0 252.314 2.119 10 0 CEAERO CC(C)c1nn(C)cc1C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000037243019 173058681 /nfs/dbraw/zinc/05/86/81/173058681.db2.gz BYDRHDLIPZNENJ-DGCLKSJQSA-N 1 0 251.374 2.201 10 0 CEAERO COC(=O)CC[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000037252283 173064563 /nfs/dbraw/zinc/06/45/63/173064563.db2.gz RQVFXBIIGODXQW-CQSZACIVSA-N 1 0 251.301 2.430 10 0 CEAERO COC1CCN([C@H](C[NH3+])c2ccc(C)s2)CC1 ZINC000037265911 173075114 /nfs/dbraw/zinc/07/51/14/173075114.db2.gz UGKCVNBENYGZTO-GFCCVEGCSA-N 1 0 254.399 2.167 10 0 CEAERO CCNC(=O)[C@@H](C)[NH2+][C@H]1CSCc2ccccc21 ZINC000037268755 173080594 /nfs/dbraw/zinc/08/05/94/173080594.db2.gz KERLFNVHDUNGSK-MFKMUULPSA-N 1 0 264.394 2.089 10 0 CEAERO CCOCC[NH2+][C@@H]1CCOc2ccc(OC)cc21 ZINC000037269317 173081026 /nfs/dbraw/zinc/08/10/26/173081026.db2.gz WSUOOTCEASQULY-CYBMUJFWSA-N 1 0 251.326 2.145 10 0 CEAERO [NH3+][C@@H](c1cnn(-c2ccccc2)c1)c1cccnc1 ZINC000037308916 173111586 /nfs/dbraw/zinc/11/15/86/173111586.db2.gz FRXQWQKSFKRYAG-OAHLLOKOSA-N 1 0 250.305 2.315 10 0 CEAERO Cc1ncsc1[C@@H](C)[NH2+][C@H](C)Cn1cccn1 ZINC000037320052 173119632 /nfs/dbraw/zinc/11/96/32/173119632.db2.gz WVEAFRLQYJVVIZ-MWLCHTKSSA-N 1 0 250.371 2.387 10 0 CEAERO COc1cc(Cl)c([C@@H](O)C2CC[NH2+]CC2)cc1OC ZINC000037332748 173133269 /nfs/dbraw/zinc/13/32/69/173133269.db2.gz BZROTRHOMKUFMV-AWEZNQCLSA-N 1 0 285.771 2.390 10 0 CEAERO Cc1cccc(C(=O)CN(C)C2CC[NH+](C)CC2)c1 ZINC000037333238 173134749 /nfs/dbraw/zinc/13/47/49/173134749.db2.gz BMMBGKUTWCLJAM-UHFFFAOYSA-N 1 0 260.381 2.204 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)Nc1cc(OC)ccc1OC ZINC000037386317 173168827 /nfs/dbraw/zinc/16/88/27/173168827.db2.gz BXQXDSOIWNSEMG-SNVBAGLBSA-N 1 0 266.341 2.030 10 0 CEAERO CC(C)[NH2+]CC(=O)NC1CCC(C(F)(F)F)CC1 ZINC000037396015 173176702 /nfs/dbraw/zinc/17/67/02/173176702.db2.gz PPHWABSRXOSCCI-UHFFFAOYSA-N 1 0 266.307 2.222 10 0 CEAERO CCn1c2cccc(F)c2nc1[C@H]1C[C@H](OC)C[NH2+]1 ZINC000037442687 173211347 /nfs/dbraw/zinc/21/13/47/173211347.db2.gz IJYQTHOYSPPYHS-GXSJLCMTSA-N 1 0 263.316 2.245 10 0 CEAERO CC(C)[NH2+][C@](C)(C(N)=O)c1ccc(OC(C)C)cc1 ZINC000037446512 173213708 /nfs/dbraw/zinc/21/37/08/173213708.db2.gz QXGAATLWMPOBFP-HNNXBMFYSA-N 1 0 264.369 2.172 10 0 CEAERO COc1ccc(Br)cc1Cn1cc[nH+]c1N ZINC000037483156 173228691 /nfs/dbraw/zinc/22/86/91/173228691.db2.gz BWOIBLDGPNUDFA-UHFFFAOYSA-N 1 0 282.141 2.285 10 0 CEAERO C[N@@H+]1CC[C@H](CNc2ccc(Br)cc2N)C1 ZINC000037484605 173229411 /nfs/dbraw/zinc/22/94/11/173229411.db2.gz DEODEXWGISIOBK-SECBINFHSA-N 1 0 284.201 2.395 10 0 CEAERO CC[C@@H](C)N(CC)S(=O)(=O)c1ccc(C[NH2+]C)cc1 ZINC000037573340 173524226 /nfs/dbraw/zinc/52/42/26/173524226.db2.gz BRDLKGIRLRLRNL-GFCCVEGCSA-N 1 0 284.425 2.215 10 0 CEAERO CCOc1cccc([C@H](C[NH3+])N2CCSCC2)c1 ZINC000037679050 173615492 /nfs/dbraw/zinc/61/54/92/173615492.db2.gz NDJDPQKMTYVXMB-AWEZNQCLSA-N 1 0 266.410 2.134 10 0 CEAERO Cc1cc(C[C@H](C)[NH3+])cc(C)c1OCc1ncon1 ZINC000037723311 173642163 /nfs/dbraw/zinc/64/21/63/173642163.db2.gz JKKRLCHCULATFH-NSHDSACASA-N 1 0 261.325 2.155 10 0 CEAERO [NH3+]Cc1ccc(CNC(=O)Nc2ccccc2)cc1 ZINC000037748040 173670625 /nfs/dbraw/zinc/67/06/25/173670625.db2.gz ZBEXQSPRJOVZDT-UHFFFAOYSA-N 1 0 255.321 2.467 10 0 CEAERO CCOc1cccc(C[C@H](C)[NH3+])c1OCCCOC ZINC000037754343 173678249 /nfs/dbraw/zinc/67/82/49/173678249.db2.gz VKOJNQAYFXFGRH-LBPRGKRZSA-N 1 0 267.369 2.390 10 0 CEAERO COc1ccc(OC[C@@H](O)C[NH2+]CCCC(C)C)cc1 ZINC000037984794 173946069 /nfs/dbraw/zinc/94/60/69/173946069.db2.gz FRJBWQVNTRKUOR-AWEZNQCLSA-N 1 0 281.396 2.461 10 0 CEAERO [NH3+]CCCCCCC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000038010028 173975669 /nfs/dbraw/zinc/97/56/69/173975669.db2.gz HWHIBCVDHJVZCV-CQSZACIVSA-N 1 0 276.380 2.016 10 0 CEAERO C[C@@H](N(C)C(=O)[C@@H]1CCCN1C1CC[NH2+]CC1)C(C)(C)C ZINC000038043300 174050246 /nfs/dbraw/zinc/05/02/46/174050246.db2.gz WYCLNBRGASUDRP-HIFRSBDPSA-N 1 0 295.471 2.096 10 0 CEAERO Cc1nc2sccn2c1C[NH2+]C[C@@H]1CCCOC1 ZINC000038044850 174052813 /nfs/dbraw/zinc/05/28/13/174052813.db2.gz ZRWKNXRBRABALF-NSHDSACASA-N 1 0 265.382 2.220 10 0 CEAERO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C[C@@H]2CCCOC2)c1 ZINC000038045389 174054127 /nfs/dbraw/zinc/05/41/27/174054127.db2.gz ICEZTLZKINCGKU-HOTGVXAUSA-N 1 0 293.407 2.059 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)CSc1ccccc1 ZINC000038048552 174059289 /nfs/dbraw/zinc/05/92/89/174059289.db2.gz RUPNDSLEGSJNGU-QWHCGFSZSA-N 1 0 264.394 2.165 10 0 CEAERO COc1ccccc1NC(=O)N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000038049859 174061127 /nfs/dbraw/zinc/06/11/27/174061127.db2.gz JGVRFUKEUHUXEM-WDEREUQCSA-N 1 0 263.341 2.087 10 0 CEAERO NC(=[NH2+])c1ccc(Cn2cc(Cl)cn2)c(F)c1 ZINC000038053610 174065048 /nfs/dbraw/zinc/06/50/48/174065048.db2.gz XTBIBSPUIDFJHX-UHFFFAOYSA-N 1 0 252.680 2.008 10 0 CEAERO C[C@@H](NC(=O)Nc1cccc(F)c1)[C@H]1CCCC[NH2+]1 ZINC000038076440 174086882 /nfs/dbraw/zinc/08/68/82/174086882.db2.gz PBBYVLSRXGPXID-ZWNOBZJWSA-N 1 0 265.332 2.478 10 0 CEAERO CCN(CC)[C@@H](C[NH3+])c1cc(OC)c(OC)c(OC)c1 ZINC000038827565 174156385 /nfs/dbraw/zinc/15/63/85/174156385.db2.gz NUEKOBYBHPBKBF-LBPRGKRZSA-N 1 0 282.384 2.054 10 0 CEAERO [NH3+]Cc1cc(NCc2c(F)ccc(Cl)c2F)ncn1 ZINC000039515631 174169268 /nfs/dbraw/zinc/16/92/68/174169268.db2.gz NMLUBNNSGVCDMC-UHFFFAOYSA-N 1 0 284.697 2.479 10 0 CEAERO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC2CC2)cc1OC ZINC000040491138 174292521 /nfs/dbraw/zinc/29/25/21/174292521.db2.gz JSPHCQIOYAQYIL-MNOVXSKESA-N 1 0 292.379 2.022 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)N[C@@H](C)COc1ccc(C)cc1 ZINC000040500227 174297172 /nfs/dbraw/zinc/29/71/72/174297172.db2.gz UOBHRZWZFODALK-KBPBESRZSA-N 1 0 278.396 2.267 10 0 CEAERO COC(=O)C[C@H](C)[NH2+][C@@H](C)c1sc(C)nc1C ZINC000040518625 174308033 /nfs/dbraw/zinc/30/80/33/174308033.db2.gz CERCSJIZHNOHSX-YUMQZZPRSA-N 1 0 256.371 2.362 10 0 CEAERO CCC[C@@](C)([NH3+])C(=O)N[C@@H](C)c1sc(C)nc1C ZINC000040519135 174308498 /nfs/dbraw/zinc/30/84/98/174308498.db2.gz CSCQPQMETBGJGJ-TVQRCGJNSA-N 1 0 269.414 2.455 10 0 CEAERO CCCCc1ccc(NC(=O)[C@H]2C[C@@H](OC)C[NH2+]2)cc1 ZINC000040631702 174358393 /nfs/dbraw/zinc/35/83/93/174358393.db2.gz UYIJREVVJBIEGA-HUUCEWRRSA-N 1 0 276.380 2.345 10 0 CEAERO CC[C@@H]([NH2+]CCc1nccn1C)c1ccc(O)cc1 ZINC000040638735 174363209 /nfs/dbraw/zinc/36/32/09/174363209.db2.gz ADQVDZZJDQONMR-CQSZACIVSA-N 1 0 259.353 2.409 10 0 CEAERO O[C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000040667315 174366946 /nfs/dbraw/zinc/36/69/46/174366946.db2.gz IVUQCJBQYPAERD-STQMWFEESA-N 1 0 263.337 2.199 10 0 CEAERO CCOC1CCN([C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000040678635 174374555 /nfs/dbraw/zinc/37/45/55/174374555.db2.gz RPGGFWLSVZBTFV-HNNXBMFYSA-N 1 0 266.360 2.326 10 0 CEAERO CCOC1CCN([C@@H](C[NH3+])c2ccc(C)cc2)CC1 ZINC000040689103 174376094 /nfs/dbraw/zinc/37/60/94/174376094.db2.gz IIMMKXYHLJMNMX-INIZCTEOSA-N 1 0 262.397 2.496 10 0 CEAERO CCOC1CC[NH+](Cc2ccccc2C(N)=S)CC1 ZINC000040689476 174376645 /nfs/dbraw/zinc/37/66/45/174376645.db2.gz IXFUWKSJTZVZJY-UHFFFAOYSA-N 1 0 278.421 2.322 10 0 CEAERO Cc1nn(CCC(=O)Nc2cccc(C[NH3+])c2)c(C)c1C ZINC000040728967 174388088 /nfs/dbraw/zinc/38/80/88/174388088.db2.gz AKQMOTKCJCFUCK-UHFFFAOYSA-N 1 0 286.379 2.296 10 0 CEAERO C[C@@H](Nc1ccc(CCO)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000040738592 174389929 /nfs/dbraw/zinc/38/99/29/174389929.db2.gz SFAVPZYOWOMESW-HIFRSBDPSA-N 1 0 262.397 2.364 10 0 CEAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc2ccccc2n1 ZINC000040740712 174390967 /nfs/dbraw/zinc/39/09/67/174390967.db2.gz YTELVONBSSIPPG-PBWFPOADSA-N 1 0 281.359 2.248 10 0 CEAERO CCc1cc(N(CC[NH3+])Cc2ccccc2)ncn1 ZINC000040764954 174397890 /nfs/dbraw/zinc/39/78/90/174397890.db2.gz WMNPTPJXDMKDTF-UHFFFAOYSA-N 1 0 256.353 2.004 10 0 CEAERO CC(C)C[C@@H](CO)[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000040776485 174403455 /nfs/dbraw/zinc/40/34/55/174403455.db2.gz SIRDCIDDZFCOGE-AWEZNQCLSA-N 1 0 279.380 2.345 10 0 CEAERO CC(C)([NH3+])c1cn(CCSc2ccccc2F)nn1 ZINC000070118012 414764880 /nfs/dbraw/zinc/76/48/80/414764880.db2.gz KEGRNJSZEMWLQB-UHFFFAOYSA-N 1 0 280.372 2.403 10 0 CEAERO Cc1cc(C)cc(OCCn2cc(C(C)(C)[NH3+])nn2)c1 ZINC000070118317 414765201 /nfs/dbraw/zinc/76/52/01/414765201.db2.gz RPLNYCVKVOVKHY-UHFFFAOYSA-N 1 0 274.368 2.168 10 0 CEAERO CC(C)([NH3+])c1cn(Cc2ccc(Br)cc2)nn1 ZINC000070118571 414766326 /nfs/dbraw/zinc/76/63/26/414766326.db2.gz YSPQIUBYMPJGFC-UHFFFAOYSA-N 1 0 295.184 2.283 10 0 CEAERO O=C(NCC1CCC(C(F)(F)F)CC1)[C@H]1CCC[NH2+]1 ZINC000072513092 414774067 /nfs/dbraw/zinc/77/40/67/414774067.db2.gz BYTZIUDKNZUVOK-VQXHTEKXSA-N 1 0 278.318 2.223 10 0 CEAERO COc1ccc(CCc2nc(CC[NH3+])cs2)cc1 ZINC000041354393 174532729 /nfs/dbraw/zinc/53/27/29/174532729.db2.gz CFYBRDNSDVXXKH-UHFFFAOYSA-N 1 0 262.378 2.438 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCc2ccccc2[C@@H](C)C1 ZINC000404865057 414791008 /nfs/dbraw/zinc/79/10/08/414791008.db2.gz BCFQKOJXVVUVJC-DVOMOZLQSA-N 1 0 272.392 2.030 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCC[C@H](C2CCC2)C1 ZINC000662920844 414801305 /nfs/dbraw/zinc/80/13/05/414801305.db2.gz ZCJVNXHQOSKTOR-SOUVJXGZSA-N 1 0 264.413 2.400 10 0 CEAERO O[C@H](Cc1cccc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000041458225 174554708 /nfs/dbraw/zinc/55/47/08/174554708.db2.gz WKGNXPJCKIGGDK-WCQYABFASA-N 1 0 284.197 2.352 10 0 CEAERO C[NH+](C)CCC(=O)Nc1nc(-c2ccncc2)cs1 ZINC000041536582 174566190 /nfs/dbraw/zinc/56/61/90/174566190.db2.gz OIPWUZLFTHICRM-UHFFFAOYSA-N 1 0 276.365 2.095 10 0 CEAERO CC[NH+](CC)CCCCNS(=O)(=O)c1ccccc1 ZINC000041568347 174567921 /nfs/dbraw/zinc/56/79/21/174567921.db2.gz LBJQUXBUURNTJW-UHFFFAOYSA-N 1 0 284.425 2.087 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)c1cc2sccc2s1 ZINC000304269671 414849646 /nfs/dbraw/zinc/84/96/46/414849646.db2.gz KJLYMSATKCDSCP-SSDOTTSWSA-N 1 0 254.380 2.301 10 0 CEAERO Cc1ccc(-c2nnco2)cc1NC(=O)C[C@H]1CCC[NH2+]1 ZINC000042166962 174648988 /nfs/dbraw/zinc/64/89/88/174648988.db2.gz UOESFLAZOXBSJV-GFCCVEGCSA-N 1 0 286.335 2.126 10 0 CEAERO Cc1nn(C(C)C)c(C)c1NC(=O)C[C@H]1CCC[NH2+]1 ZINC000042168509 174650044 /nfs/dbraw/zinc/65/00/44/174650044.db2.gz CGLWWERQKVJLCB-GFCCVEGCSA-N 1 0 264.373 2.161 10 0 CEAERO Cc1c(C[NH2+]Cc2cnccc2C(F)(F)F)cnn1C ZINC000663353147 414927162 /nfs/dbraw/zinc/92/71/62/414927162.db2.gz FWADBMBMVLOKSM-UHFFFAOYSA-N 1 0 284.285 2.432 10 0 CEAERO C[C@H]([N@H+](C)Cc1cnc2ccccc2n1)C(C)(C)O ZINC000660677118 414930719 /nfs/dbraw/zinc/93/07/19/414930719.db2.gz PLDMMDHEVPVVSM-NSHDSACASA-N 1 0 259.353 2.221 10 0 CEAERO O=C(Nc1ccc(F)c(F)c1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653056962 414890821 /nfs/dbraw/zinc/89/08/21/414890821.db2.gz HDMKNZLYNARHOH-HTQZYQBOSA-N 1 0 294.223 2.301 10 0 CEAERO COCCC[N@H+](CCOC)[C@@H](C)c1cccc(N)c1 ZINC000042408321 174714124 /nfs/dbraw/zinc/71/41/24/174714124.db2.gz ULUTXCATPASCDC-ZDUSSCGKSA-N 1 0 266.385 2.315 10 0 CEAERO O=C(NCCC1CCCC1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653070511 414895488 /nfs/dbraw/zinc/89/54/88/414895488.db2.gz ZMTZUEOXHLRWHE-GHMZBOCLSA-N 1 0 278.318 2.081 10 0 CEAERO C[NH2+]C[C@@H](C)Nc1cc(C)c(Br)cn1 ZINC000663279471 414902887 /nfs/dbraw/zinc/90/28/87/414902887.db2.gz RBOXKBOIFZEVIJ-MRVPVSSYSA-N 1 0 258.163 2.172 10 0 CEAERO C[C@H]1C[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C[C@@H](C)C1 ZINC000653092202 414903633 /nfs/dbraw/zinc/90/36/33/414903633.db2.gz VDKMAVBNLFNMCP-YBXAARCKSA-N 1 0 292.345 2.325 10 0 CEAERO C[C@H](CN(C)c1ncc(Cl)cc1Cl)C(N)=[NH2+] ZINC000042459891 174750771 /nfs/dbraw/zinc/75/07/71/174750771.db2.gz DXMDBBYSKFHQSB-ZCFIWIBFSA-N 1 0 261.156 2.397 10 0 CEAERO CCCCC[C@@H](C)[NH2+][C@H](C)C(=O)NCCCOC ZINC000042570342 174799955 /nfs/dbraw/zinc/79/99/55/174799955.db2.gz JCIRUWWFULZPKW-CHWSQXEVSA-N 1 0 258.406 2.086 10 0 CEAERO CN1C[C@@H](C[NH2+][C@@H]2CCCC(C)(C)CC2)CC1=O ZINC000657695825 415050790 /nfs/dbraw/zinc/05/07/90/415050790.db2.gz BVIXQQKVQSYUMT-CHWSQXEVSA-N 1 0 252.402 2.413 10 0 CEAERO Cc1ccc(C[NH2+]C[C@@H]2CC(=O)N(C)C2)c(Cl)c1 ZINC000657696241 415051159 /nfs/dbraw/zinc/05/11/59/415051159.db2.gz GDOWWRWLFMTBLW-NSHDSACASA-N 1 0 266.772 2.216 10 0 CEAERO CN1C[C@@H](C[NH2+]Cc2csc(C(C)(C)C)n2)CC1=O ZINC000657698590 415053434 /nfs/dbraw/zinc/05/34/34/415053434.db2.gz XJHANNZQBIPXDO-SNVBAGLBSA-N 1 0 281.425 2.009 10 0 CEAERO C[NH2+]Cc1ccc(S(=O)(=O)N(C)[C@@H](C)C(C)(C)C)cc1 ZINC000042782311 174878258 /nfs/dbraw/zinc/87/82/58/174878258.db2.gz XBLNTCHQIWHJIT-LBPRGKRZSA-N 1 0 298.452 2.461 10 0 CEAERO Cn1ccnc1S[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000042942892 174918421 /nfs/dbraw/zinc/91/84/21/174918421.db2.gz TWRWZDWMOFWTSB-NSHDSACASA-N 1 0 251.330 2.351 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(OC)cc1)N1CCOC[C@@H]1C ZINC000042960956 174925619 /nfs/dbraw/zinc/92/56/19/174925619.db2.gz BXZQAKQFQOHNBM-APHBMKBZSA-N 1 0 278.396 2.194 10 0 CEAERO C[C@H]([NH3+])[C@H](OC1CCOCC1)c1cccc(F)c1 ZINC000042974269 174937665 /nfs/dbraw/zinc/93/76/65/174937665.db2.gz DLPUTYBEEYCXNP-HZMBPMFUSA-N 1 0 253.317 2.410 10 0 CEAERO C[C@@H]([NH3+])[C@H](Sc1nnnn1C1CC1)c1cccc(F)c1 ZINC000042974488 174937732 /nfs/dbraw/zinc/93/77/32/174937732.db2.gz FAURSOKMONUYTE-PELKAZGASA-N 1 0 293.371 2.328 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccccc1F)N(CCOC)CCOC ZINC000043043910 174955933 /nfs/dbraw/zinc/95/59/33/174955933.db2.gz MRXRTILWDMSYNQ-HZPDHXFCSA-N 1 0 298.402 2.199 10 0 CEAERO Cn1cc(S[C@H](C[NH3+])c2ccccc2F)cn1 ZINC000043050470 174958238 /nfs/dbraw/zinc/95/82/38/174958238.db2.gz XLXGNPIKDWDKFW-GFCCVEGCSA-N 1 0 251.330 2.351 10 0 CEAERO CC[C@@H]([NH3+])[C@H](SCC(=O)OC)c1cccs1 ZINC000043114342 174974975 /nfs/dbraw/zinc/97/49/75/174974975.db2.gz HVVFKXIZJQQKSN-KCJUWKMLSA-N 1 0 259.396 2.433 10 0 CEAERO [NH3+]C[C@H](c1ccsc1)n1cc(Br)cn1 ZINC000043124214 174977335 /nfs/dbraw/zinc/97/73/35/174977335.db2.gz ZFLICRHXMGMGBA-SECBINFHSA-N 1 0 272.171 2.255 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1cnn(C)c1)n1cnc2ccccc21 ZINC000043232608 174986155 /nfs/dbraw/zinc/98/61/55/174986155.db2.gz DPPXEGUBEXYSMA-IUODEOHRSA-N 1 0 269.352 2.097 10 0 CEAERO CC[C@H]([NH3+])[C@H](O)c1cc(Br)cs1 ZINC000043289790 174997613 /nfs/dbraw/zinc/99/76/13/174997613.db2.gz ZCRYKROQGCXKSK-XPUUQOCRSA-N 1 0 250.161 2.281 10 0 CEAERO [NH3+][C@@H](c1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043299967 175000871 /nfs/dbraw/zinc/00/08/71/175000871.db2.gz FQWZNXBRVLMDCT-ONGXEEELSA-N 1 0 293.310 2.140 10 0 CEAERO C[NH2+][C@H](c1cccc(OC(C)C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043300720 175001301 /nfs/dbraw/zinc/00/13/01/175001301.db2.gz RXYVSPWKPFBJOG-DZGCQCFKSA-N 1 0 297.420 2.169 10 0 CEAERO CC[NH2+][C@@H](c1cccc(C)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000043315516 175004377 /nfs/dbraw/zinc/00/43/77/175004377.db2.gz ZMSFVFQARNCYJD-DZGCQCFKSA-N 1 0 281.421 2.389 10 0 CEAERO C[C@@H](Cc1c(F)cccc1F)N[C@H]1CCC[NH2+]C1 ZINC000043327205 175008542 /nfs/dbraw/zinc/00/85/42/175008542.db2.gz CSMRMIXTJYFMRS-QWRGUYRKSA-N 1 0 254.324 2.237 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccco1)N(C)C1CCOCC1 ZINC000043335324 175010981 /nfs/dbraw/zinc/01/09/81/175010981.db2.gz IONNMBRBOIJUHZ-TZMCWYRMSA-N 1 0 252.358 2.169 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccccn1)N(C)Cc1ccccn1 ZINC000043339268 175013655 /nfs/dbraw/zinc/01/36/55/175013655.db2.gz CMAQNWPNRDYRCT-ZBFHGGJFSA-N 1 0 270.380 2.387 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccccn1)N(C)CCc1ccncc1 ZINC000043339607 175013795 /nfs/dbraw/zinc/01/37/95/175013795.db2.gz KEQBVOUPOINHEH-NVXWUHKLSA-N 1 0 284.407 2.430 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccccn1)N(C)CC(F)(F)F ZINC000043339590 175013803 /nfs/dbraw/zinc/01/38/03/175013803.db2.gz DQGFIPDKDVSJEP-KOLCDFICSA-N 1 0 261.291 2.354 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccccn1)N(CC)C[C@@H]1CCCO1 ZINC000043340085 175014690 /nfs/dbraw/zinc/01/46/90/175014690.db2.gz XGPZTRYSCZMZPV-LZWOXQAQSA-N 1 0 277.412 2.361 10 0 CEAERO CCc1c(C)nn([C@H](c2ccccn2)[C@@H](C)[NH3+])c1C ZINC000043341523 175015330 /nfs/dbraw/zinc/01/53/30/175015330.db2.gz AKGTWTNTVGAEAT-BMIGLBTASA-N 1 0 258.369 2.394 10 0 CEAERO CC[C@H]([NH3+])[C@H](OCCOC(C)C)c1ccccn1 ZINC000043342846 175015895 /nfs/dbraw/zinc/01/58/95/175015895.db2.gz FGJJNCOBGCJNAC-JSGCOSHPSA-N 1 0 252.358 2.302 10 0 CEAERO CCOC(=O)CS[C@H](c1ccccn1)[C@@H]([NH3+])CC ZINC000043345095 175016462 /nfs/dbraw/zinc/01/64/62/175016462.db2.gz JXJXFNRWHWHDGS-GWCFXTLKSA-N 1 0 268.382 2.156 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1n[nH]c(C)n1)c1ccccn1 ZINC000043345329 175016799 /nfs/dbraw/zinc/01/67/99/175016799.db2.gz PKWZBDWMGZPNGD-MWLCHTKSSA-N 1 0 263.370 2.079 10 0 CEAERO CCC(CC)N(CCO)[C@@H](c1cccnc1)[C@H]([NH3+])CC ZINC000043348304 175018591 /nfs/dbraw/zinc/01/85/91/175018591.db2.gz ABNDCHLLZPWCMG-CVEARBPZSA-N 1 0 279.428 2.343 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1cccnc1)n1ccc(C(F)(F)F)n1 ZINC000043349032 175019094 /nfs/dbraw/zinc/01/90/94/175019094.db2.gz VRDKTNYJODPLLO-KCJUWKMLSA-N 1 0 270.258 2.234 10 0 CEAERO CCc1c(C)nn([C@H](c2cccnc2)[C@@H](C)[NH3+])c1C ZINC000043348970 175019354 /nfs/dbraw/zinc/01/93/54/175019354.db2.gz SJMJQWWLODKBBU-BMIGLBTASA-N 1 0 258.369 2.394 10 0 CEAERO C[C@@H]([NH3+])[C@@H](Oc1ccc2c(c1)OCO2)c1cccnc1 ZINC000043350564 175019560 /nfs/dbraw/zinc/01/95/60/175019560.db2.gz ULBPNCKXBXSERR-MEBBXXQBSA-N 1 0 272.304 2.278 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1nc(C)cc(=O)[nH]1)c1cccnc1 ZINC000043352033 175019613 /nfs/dbraw/zinc/01/96/13/175019613.db2.gz OQVYAOIJEXUFRD-AAEUAGOBSA-N 1 0 290.392 2.456 10 0 CEAERO C[C@@H]([NH3+])[C@H](Oc1ccc2c(c1)OCO2)c1cccnc1 ZINC000043350561 175019931 /nfs/dbraw/zinc/01/99/31/175019931.db2.gz ULBPNCKXBXSERR-BMIGLBTASA-N 1 0 272.304 2.278 10 0 CEAERO CCOC1CCN([C@@H](c2ccncc2)[C@H]([NH3+])CC)CC1 ZINC000043353918 175020751 /nfs/dbraw/zinc/02/07/51/175020751.db2.gz PPTDEYGQGTXSEL-CVEARBPZSA-N 1 0 277.412 2.361 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccncc1)N(C)CCc1ccncc1 ZINC000043353856 175020763 /nfs/dbraw/zinc/02/07/63/175020763.db2.gz KICKBWAONRRCPW-CZUORRHYSA-N 1 0 270.380 2.039 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccncc1)N(C)[C@@H]1CCSC1 ZINC000043353369 175021084 /nfs/dbraw/zinc/02/10/84/175021084.db2.gz OFTGXNZPFPXGCQ-RDBSUJKOSA-N 1 0 265.426 2.297 10 0 CEAERO Cc1nc2ccccc2n1[C@@H](C[NH3+])c1ccncc1 ZINC000043354917 175022964 /nfs/dbraw/zinc/02/29/64/175022964.db2.gz VSQZLDGCWMKPGS-HNNXBMFYSA-N 1 0 252.321 2.288 10 0 CEAERO Cc1cnc(S[C@@H](c2ccncc2)[C@@H](C)[NH3+])nc1 ZINC000043363604 175023965 /nfs/dbraw/zinc/02/39/65/175023965.db2.gz QEBBSTPNMZFQGW-ZYHUDNBSSA-N 1 0 260.366 2.361 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)N(CC)CC(=O)NC(C)C ZINC000043364989 175026185 /nfs/dbraw/zinc/02/61/85/175026185.db2.gz BNJATFIBMKIPRS-CZUORRHYSA-N 1 0 295.427 2.213 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)N(CCOC)[C@@H](C)COC ZINC000043365277 175026696 /nfs/dbraw/zinc/02/66/96/175026696.db2.gz ZLJUYIVOFLUURU-BJJXKVORSA-N 1 0 298.427 2.350 10 0 CEAERO CCN(Cc1ccco1)[C@@H]([C@@H](C)[NH3+])C(F)(F)F ZINC000043378216 175030543 /nfs/dbraw/zinc/03/05/43/175030543.db2.gz LPKNLFKVKNEQTF-SCZZXKLOSA-N 1 0 250.264 2.380 10 0 CEAERO C[C@H]([NH3+])[C@@H](Sc1nnc2n1CCCCC2)C(F)(F)F ZINC000043385763 175031996 /nfs/dbraw/zinc/03/19/96/175031996.db2.gz NKJOHQXVKNOPHK-IONNQARKSA-N 1 0 294.346 2.375 10 0 CEAERO O=S1(=O)CC[C@H](C[NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC000043389929 175033800 /nfs/dbraw/zinc/03/38/00/175033800.db2.gz MYLHUCUVESLEEQ-SNVBAGLBSA-N 1 0 291.775 2.003 10 0 CEAERO CC(C)CN(c1nc2c(cc1C(N)=[NH2+])CCC2)C1CC1 ZINC000043406787 175037014 /nfs/dbraw/zinc/03/70/14/175037014.db2.gz QEPAOXNFVFGWBB-UHFFFAOYSA-N 1 0 272.396 2.479 10 0 CEAERO CC[C@@H]([NH3+])c1ccccc1OCCCC(=O)N(C)C ZINC000043447987 175048594 /nfs/dbraw/zinc/04/85/94/175048594.db2.gz WCFSFYNBPAZCKJ-CYBMUJFWSA-N 1 0 264.369 2.344 10 0 CEAERO CN(CCc1ccncc1)C[C@@H]1[NH2+]CCc2ccccc21 ZINC000043596104 175076881 /nfs/dbraw/zinc/07/68/81/175076881.db2.gz RRGWXDOSDMSUTH-SFHVURJKSA-N 1 0 281.403 2.443 10 0 CEAERO CCn1c([C@@H]2C[NH2+]CCO2)nc2cccc(Cl)c21 ZINC000043705127 175099390 /nfs/dbraw/zinc/09/93/90/175099390.db2.gz XDWBWVNAZLRWJX-NSHDSACASA-N 1 0 265.744 2.371 10 0 CEAERO Cc1ccc2c(c1)nc([C@@H]1C[NH2+]CCO1)n2C1CC1 ZINC000043710860 175103534 /nfs/dbraw/zinc/10/35/34/175103534.db2.gz YHIMMIXIPBXVDN-AWEZNQCLSA-N 1 0 257.337 2.341 10 0 CEAERO CCC[NH2+][C@H](c1ccccc1)[C@@H](C)N1CCOCC1 ZINC000043808572 175109010 /nfs/dbraw/zinc/10/90/10/175109010.db2.gz AWNLOTMAOCZIDH-ZBFHGGJFSA-N 1 0 262.397 2.448 10 0 CEAERO CCN(CC)C[C@H]([NH2+]C)c1ccc(OC)c(OC)c1 ZINC000043809039 175109506 /nfs/dbraw/zinc/10/95/06/175109506.db2.gz FCPYDSCRDYAMOH-ZDUSSCGKSA-N 1 0 266.385 2.306 10 0 CEAERO C[NH2+][C@H](CN(C)C(C)C)c1cc(OC)ccc1OC ZINC000043813119 175111125 /nfs/dbraw/zinc/11/11/25/175111125.db2.gz OXOQGMNXMBUVBN-CQSZACIVSA-N 1 0 266.385 2.305 10 0 CEAERO CCN(C[C@@H]([NH2+]C)c1ccc(OC)cc1OC)C1CC1 ZINC000043821250 175114423 /nfs/dbraw/zinc/11/44/23/175114423.db2.gz APJZXWVXTHZHCR-OAHLLOKOSA-N 1 0 278.396 2.449 10 0 CEAERO CCC[NH2+][C@@H]1CCC2(C[C@H]1N(CC)CCC)OCCO2 ZINC000043884812 175116876 /nfs/dbraw/zinc/11/68/76/175116876.db2.gz BOQNLWISDCUAJQ-HUUCEWRRSA-N 1 0 284.444 2.382 10 0 CEAERO C[NH2+][C@@H](c1ccccc1)[C@@H](C)N1CCC(OC)CC1 ZINC000043889896 175117425 /nfs/dbraw/zinc/11/74/25/175117425.db2.gz QYJARMRRTUQJJD-CZUORRHYSA-N 1 0 262.397 2.446 10 0 CEAERO CC[NH2+][C@@H]1CCC2(C[C@@H]1N(CC)CC(C)C)OCCO2 ZINC000043888209 175117515 /nfs/dbraw/zinc/11/75/15/175117515.db2.gz HJFQQAVGELMTDO-CABCVRRESA-N 1 0 284.444 2.238 10 0 CEAERO C[NH2+][C@H]1c2ccccc2OC[C@H]1N(C)Cc1ccncc1 ZINC000043893959 175119041 /nfs/dbraw/zinc/11/90/41/175119041.db2.gz QYLWRZWLSOLVTC-WBVHZDCISA-N 1 0 283.375 2.235 10 0 CEAERO C[NH2+][C@H](c1ccc(OC)cc1)[C@@H](C)N1CCOC(C)(C)C1 ZINC000043897702 175120416 /nfs/dbraw/zinc/12/04/16/175120416.db2.gz TWRPZLIQLMZSPQ-CJNGLKHVSA-N 1 0 292.423 2.455 10 0 CEAERO C[NH2+][C@@H](c1ccccc1)[C@H](C)N1CCOC(C)(C)C1 ZINC000043897608 175120605 /nfs/dbraw/zinc/12/06/05/175120605.db2.gz XSUASYWDYFXXHO-DZGCQCFKSA-N 1 0 262.397 2.446 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2OC[C@@H]1N(C)CC(F)(F)F ZINC000043900806 175121855 /nfs/dbraw/zinc/12/18/55/175121855.db2.gz YDLLVGDDBTVYBR-CMPLNLGQSA-N 1 0 274.286 2.202 10 0 CEAERO CCOC1CCN([C@@H]2CCCCC[C@@H]2[NH2+]C)CC1 ZINC000043906909 175122537 /nfs/dbraw/zinc/12/25/37/175122537.db2.gz ZSYZNJLOVUBNRS-LSDHHAIUSA-N 1 0 254.418 2.408 10 0 CEAERO CC[NH2+][C@@H](CN(C)CCOC)c1ccc(OCC)cc1 ZINC000043915920 175125022 /nfs/dbraw/zinc/12/50/22/175125022.db2.gz BXBVPCVSBZSNJK-INIZCTEOSA-N 1 0 280.412 2.314 10 0 CEAERO CC[NH2+][C@@H](c1ccccc1)[C@H](C)N(C)CCOC ZINC000043915727 175125151 /nfs/dbraw/zinc/12/51/51/175125151.db2.gz OCEKFBWCRUDXHU-DZGCQCFKSA-N 1 0 250.386 2.304 10 0 CEAERO C[NH2+][C@H](c1ccccc1)[C@@H](C)N(C)Cc1cnn(C)c1 ZINC000043967124 175128542 /nfs/dbraw/zinc/12/85/42/175128542.db2.gz HTUHXKOUTZWSFQ-CJNGLKHVSA-N 1 0 272.396 2.201 10 0 CEAERO CC[NH2+][C@H](CN(CC)CCOC)c1cccc(OC)c1 ZINC000043968648 175129421 /nfs/dbraw/zinc/12/94/21/175129421.db2.gz OXOQLMQDJJHNEP-MRXNPFEDSA-N 1 0 280.412 2.314 10 0 CEAERO CCC[NH2+][C@@H]1CCCC[C@H]1N(CCOC)C1CC1 ZINC000043970164 175131127 /nfs/dbraw/zinc/13/11/27/175131127.db2.gz LUIOIRRKZJNHKE-HUUCEWRRSA-N 1 0 254.418 2.408 10 0 CEAERO C[NH2+][C@@H](c1ccc(OC)cc1)[C@@H](C)N(CCOC)C1CC1 ZINC000043969743 175131131 /nfs/dbraw/zinc/13/11/31/175131131.db2.gz XLSKOIKUTDUIIJ-CXAGYDPISA-N 1 0 292.423 2.455 10 0 CEAERO CC[NH2+][C@@H](CN(CCOC)C1CC1)c1ccccc1 ZINC000043969864 175131212 /nfs/dbraw/zinc/13/12/12/175131212.db2.gz AYLMSKLSGWZEHH-INIZCTEOSA-N 1 0 262.397 2.448 10 0 CEAERO CCOc1ccc([C@H](CN(CCOC)C2CC2)[NH2+]C)cc1 ZINC000043969711 175131382 /nfs/dbraw/zinc/13/13/82/175131382.db2.gz ZHEFERUVGHSSNX-KRWDZBQOSA-N 1 0 292.423 2.457 10 0 CEAERO CCC[NH2+][C@@H]1CCCC[C@H]1N(CCCOC)CCOC ZINC000043971100 175131842 /nfs/dbraw/zinc/13/18/42/175131842.db2.gz TXAWJHPGWJBNPZ-HZPDHXFCSA-N 1 0 286.460 2.282 10 0 CEAERO CCC[C@H]([NH2+]C)[C@@H](CC)N(CCCOC)CCOC ZINC000043970911 175132036 /nfs/dbraw/zinc/13/20/36/175132036.db2.gz ROEQHZXISHVCCK-LSDHHAIUSA-N 1 0 274.449 2.138 10 0 CEAERO C[NH2+][C@@H](c1ccccc1)[C@H](C)N(CCCOC)CCOC ZINC000043970843 175132145 /nfs/dbraw/zinc/13/21/45/175132145.db2.gz OUOZMMYDXKSHIH-DOTOQJQBSA-N 1 0 294.439 2.321 10 0 CEAERO C[NH2+][C@H]1CCCc2cc(O[C@H](C)C(=O)OC)ccc21 ZINC000044745096 175241467 /nfs/dbraw/zinc/24/14/67/175241467.db2.gz INMHYNBJXZAXHU-YGRLFVJLSA-N 1 0 263.337 2.224 10 0 CEAERO CC[NH2+][C@@H]1CCCc2cc(O[C@@H]3CCOC3=O)ccc21 ZINC000044745555 175241863 /nfs/dbraw/zinc/24/18/63/175241863.db2.gz IEKHYFGNTWPXBF-HUUCEWRRSA-N 1 0 275.348 2.368 10 0 CEAERO CC[NH2+][C@H]1CCCc2cc(OCCS(C)(=O)=O)ccc21 ZINC000044745452 175241880 /nfs/dbraw/zinc/24/18/80/175241880.db2.gz MSZKHSLLWRTPHI-HNNXBMFYSA-N 1 0 297.420 2.097 10 0 CEAERO Oc1ccc2c(c1)CCC[C@@H]2[NH2+]CCn1ccnc1 ZINC000044747496 175243296 /nfs/dbraw/zinc/24/32/96/175243296.db2.gz AORNOAYLLOXKTI-HNNXBMFYSA-N 1 0 257.337 2.256 10 0 CEAERO Cc1cc(N)ccc1C(=O)N(CC[NH+](C)C)CC(C)C ZINC000044748855 175243844 /nfs/dbraw/zinc/24/38/44/175243844.db2.gz ZKURAFBHRDWTNK-UHFFFAOYSA-N 1 0 277.412 2.237 10 0 CEAERO Cc1cc(N)ccc1C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000044748926 175244149 /nfs/dbraw/zinc/24/41/49/175244149.db2.gz GWLPSJQJMFWPPI-CYBMUJFWSA-N 1 0 289.423 2.429 10 0 CEAERO CCN(C[C@@H]1CCCO1)C(=O)C1(C[NH3+])CCCCCC1 ZINC000044763370 175247426 /nfs/dbraw/zinc/24/74/26/175247426.db2.gz PZHQMKFJCVXOKZ-AWEZNQCLSA-N 1 0 282.428 2.313 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)Nc1ccc(OC)c(OC)c1 ZINC000044798430 175255243 /nfs/dbraw/zinc/25/52/43/175255243.db2.gz SWUVNLFOQQHTSO-SNVBAGLBSA-N 1 0 266.341 2.017 10 0 CEAERO C[C@@H](C1CC1)N(C)C(=O)[C@@H](C[NH3+])Cc1ccccc1 ZINC000044801956 175255764 /nfs/dbraw/zinc/25/57/64/175255764.db2.gz LNFARKGXALDPKJ-SWLSCSKDSA-N 1 0 260.381 2.061 10 0 CEAERO CC(C)[C@H](C[NH3+])C(=O)N[C@@H](C)c1ccccc1F ZINC000044806329 175256486 /nfs/dbraw/zinc/25/64/86/175256486.db2.gz GAQSBMMRRMXCQA-JQWIXIFHSA-N 1 0 252.333 2.234 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)N(Cc1ccco1)C1CC1 ZINC000044808008 175256983 /nfs/dbraw/zinc/25/69/83/175256983.db2.gz VTTXDVZUSXEBQG-NSHDSACASA-N 1 0 250.342 2.146 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)N[C@H](C)COCC ZINC000044808513 175257671 /nfs/dbraw/zinc/25/76/71/175257671.db2.gz QETPQYVWMXRXMQ-GFCCVEGCSA-N 1 0 258.406 2.073 10 0 CEAERO C[C@@H](C[NH2+][C@H]1CCCCC[C@@H]1O)N1CCCCC1 ZINC000044992703 175286762 /nfs/dbraw/zinc/28/67/62/175286762.db2.gz YZCFOFUFYYCLQL-KKUMJFAQSA-N 1 0 254.418 2.144 10 0 CEAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+]CCOCCC(C)C ZINC000045106870 175308218 /nfs/dbraw/zinc/30/82/18/175308218.db2.gz NRCLKOFSCVYILD-ZDUSSCGKSA-N 1 0 272.433 2.332 10 0 CEAERO C[NH2+][C@H](C)c1ccc(S(=O)(=O)N[C@H]2CC2(C)C)cc1 ZINC000045138123 175314575 /nfs/dbraw/zinc/31/45/75/175314575.db2.gz YQPXDDJBSHPAKW-MFKMUULPSA-N 1 0 282.409 2.044 10 0 CEAERO COC(=O)c1ccc(NC[C@H]2CC[N@@H+](C(C)C)C2)c(N)c1 ZINC000045141365 175316024 /nfs/dbraw/zinc/31/60/24/175316024.db2.gz KPKARRNNKJWKLU-GFCCVEGCSA-N 1 0 291.395 2.198 10 0 CEAERO CCn1nc(C)c(-c2c[nH]c([C@@H]3CCC[NH2+]C3)n2)c1C ZINC000045169337 175320114 /nfs/dbraw/zinc/32/01/14/175320114.db2.gz ILCCSIHJXAHIEY-GFCCVEGCSA-N 1 0 273.384 2.377 10 0 CEAERO CCn1nc(C)c([C@H](C)N2CCC([NH3+])CC2)c1C ZINC000045173238 175322614 /nfs/dbraw/zinc/32/26/14/175322614.db2.gz FRRNDFOTHDFSOA-NSHDSACASA-N 1 0 250.390 2.004 10 0 CEAERO CCOC(=O)[C@](C)(CC[N@@H+]1CCC[C@@H]1CC)NC1CC1 ZINC000045221370 175330166 /nfs/dbraw/zinc/33/01/66/175330166.db2.gz DPXQRQFEHSWPQC-HOCLYGCPSA-N 1 0 282.428 2.325 10 0 CEAERO CCCN[C@@](C)(CC[N@@H+]1CCC[C@@H]1C)C(=O)OCC ZINC000045221774 175330624 /nfs/dbraw/zinc/33/06/24/175330624.db2.gz GEMDSWAKOLFWJE-ZFWWWQNUSA-N 1 0 270.417 2.182 10 0 CEAERO CCCC[N@H+](CC)C[C@@](NCC)(C(N)=O)c1ccccc1 ZINC000045223228 175331190 /nfs/dbraw/zinc/33/11/90/175331190.db2.gz QVAZSHWLXJEUFZ-KRWDZBQOSA-N 1 0 291.439 2.099 10 0 CEAERO CCOC(=O)[C@](C)(CC[NH+]1CCCCCCC1)NC ZINC000045223757 175331644 /nfs/dbraw/zinc/33/16/44/175331644.db2.gz FTHDJJFBTRGTRX-HNNXBMFYSA-N 1 0 270.417 2.184 10 0 CEAERO CCCN[C@@](C)(CC[NH+]1CCC(C)CC1)C(=O)OC ZINC000045225558 175332845 /nfs/dbraw/zinc/33/28/45/175332845.db2.gz GAKXJQAKGGHXGU-HNNXBMFYSA-N 1 0 270.417 2.040 10 0 CEAERO CCOC(=O)[C@](C[NH+](CC)CC)(NC)c1ccccc1 ZINC000045226463 175333411 /nfs/dbraw/zinc/33/34/11/175333411.db2.gz GFSLPCKLZMPWER-MRXNPFEDSA-N 1 0 278.396 2.006 10 0 CEAERO COC(=O)[C@](C[N@H+](C)C(C)C)(NC1CC1)c1ccccc1 ZINC000045229403 175334450 /nfs/dbraw/zinc/33/44/50/175334450.db2.gz GLXHGFRNBAIHBC-QGZVFWFLSA-N 1 0 290.407 2.147 10 0 CEAERO CCC[NH+](CCC)CC[C@@](C)(NC)C(=O)OCC ZINC000045230458 175334933 /nfs/dbraw/zinc/33/49/33/175334933.db2.gz ZHJLFQCNVVXVND-CQSZACIVSA-N 1 0 258.406 2.040 10 0 CEAERO COC(=O)[C@](C)(CC[NH+]1[C@@H](C)CCC[C@@H]1C)NC1CC1 ZINC000045231989 175335716 /nfs/dbraw/zinc/33/57/16/175335716.db2.gz DYRMMANWQHVAST-XEZPLFJOSA-N 1 0 282.428 2.323 10 0 CEAERO CCCN[C@@](C[NH+](C)C)(C(=O)OCC)c1ccccc1 ZINC000045232256 175336224 /nfs/dbraw/zinc/33/62/24/175336224.db2.gz PBCKBJUFIUVPLY-MRXNPFEDSA-N 1 0 278.396 2.006 10 0 CEAERO C[C@]([NH3+])(CC[NH+]1CCC(Cc2ccccc2)CC1)C(=O)[O-] ZINC000045263374 175337542 /nfs/dbraw/zinc/33/75/42/175337542.db2.gz SKCXXZOFACKAMD-KRWDZBQOSA-N 1 0 290.407 2.133 10 0 CEAERO CCCN[C@@](C)(C[N@H+](CCC)C(C)C)C(=O)OCC ZINC000045266807 175339007 /nfs/dbraw/zinc/33/90/07/175339007.db2.gz QJARXSOPNNOOLP-HNNXBMFYSA-N 1 0 272.433 2.428 10 0 CEAERO CCOC(=O)[C@](C)(C[N@H+](CC)[C@@H](C)CC)NC1CC1 ZINC000045266494 175339385 /nfs/dbraw/zinc/33/93/85/175339385.db2.gz XBZYGDONTUGQGR-WFASDCNBSA-N 1 0 270.417 2.181 10 0 CEAERO CCN[C@@](C[N@H+](CC)C1CC1)(C(=O)OC)c1ccccc1 ZINC000045267082 175340294 /nfs/dbraw/zinc/34/02/94/175340294.db2.gz MNFWGRGUWPFBOJ-QGZVFWFLSA-N 1 0 290.407 2.149 10 0 CEAERO C[NH2+][C@](C)(CC[N@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000045271950 175342710 /nfs/dbraw/zinc/34/27/10/175342710.db2.gz MGQUYQJSHYTCBS-CQSZACIVSA-N 1 0 256.390 2.094 10 0 CEAERO C[N@H+](CC[C@@](C)(NC1CC1)C(N)=O)C1CCCCCC1 ZINC000045272023 175343089 /nfs/dbraw/zinc/34/30/89/175343089.db2.gz AOJXHUFLAQOXAD-MRXNPFEDSA-N 1 0 281.444 2.027 10 0 CEAERO C[NH2+][C@](C)(CC[NH+](CC(C)C)CC(C)C)C(=O)[O-] ZINC000045273813 175344153 /nfs/dbraw/zinc/34/41/53/175344153.db2.gz OSMYHOOSVXPECM-CQSZACIVSA-N 1 0 258.406 2.053 10 0 CEAERO CCC[NH2+][C@](C)(CCN(CC)c1cccc(F)c1)C(N)=O ZINC000045275493 175345892 /nfs/dbraw/zinc/34/58/92/175345892.db2.gz BLDYWCCRDCHRRX-MRXNPFEDSA-N 1 0 295.402 2.286 10 0 CEAERO CCOC(=O)[C@](C)(N)C[N@H+](CC)CC(CC)CC ZINC000045277766 175347367 /nfs/dbraw/zinc/34/73/67/175347367.db2.gz OYSDWDPECVBITD-CQSZACIVSA-N 1 0 258.406 2.025 10 0 CEAERO CN[C@@](C[N@H+](C)CC(C)(C)C)(C(=O)OC)c1ccccc1 ZINC000045279305 175349374 /nfs/dbraw/zinc/34/93/74/175349374.db2.gz RPAXHHIFOOZJJV-QGZVFWFLSA-N 1 0 292.423 2.252 10 0 CEAERO CCN[C@](C)(CC[N@H+](C)[C@@H]1CCCC[C@@H]1C)C(=O)OC ZINC000045279118 175349583 /nfs/dbraw/zinc/34/95/83/175349583.db2.gz ZHLCLYICBMLWOY-SQWLQELKSA-N 1 0 284.444 2.428 10 0 CEAERO CC1CCC([N@H+](C)CC[C@@](C)([NH2+]C2CC2)C(=O)[O-])CC1 ZINC000045280588 175350208 /nfs/dbraw/zinc/35/02/08/175350208.db2.gz UTRCYLVHECOSAK-LDZOIKDWSA-N 1 0 282.428 2.482 10 0 CEAERO CCN[C@@](C)(CC[N@H+](CC(C)C)C(C)C)C(=O)OC ZINC000045280762 175351408 /nfs/dbraw/zinc/35/14/08/175351408.db2.gz METMSHJBEIDBRW-HNNXBMFYSA-N 1 0 272.433 2.284 10 0 CEAERO CCOC(=O)[C@](C)(C[N@H+](C)C1CCC(CC)CC1)NC ZINC000045281097 175352055 /nfs/dbraw/zinc/35/20/55/175352055.db2.gz VMLBONVCIWTGSB-XUJLQICISA-N 1 0 284.444 2.428 10 0 CEAERO CC[N@H+](C[C@@H](NC(C)C)C(=O)OC)C1CCCCC1 ZINC000045372221 175364750 /nfs/dbraw/zinc/36/47/50/175364750.db2.gz GIWDOXSIAHNMGW-CQSZACIVSA-N 1 0 270.417 2.181 10 0 CEAERO CC(C)[NH2+][C@](C)(CCCC[NH+]1CCCC1)C(=O)[O-] ZINC000045375211 175366327 /nfs/dbraw/zinc/36/63/27/175366327.db2.gz XQUOQYSWCABJDQ-CQSZACIVSA-N 1 0 256.390 2.094 10 0 CEAERO COC(=O)[C@](C)(CCC[N@@H+]1CCCC[C@@H]1C)NC1CC1 ZINC000045376177 175366541 /nfs/dbraw/zinc/36/65/41/175366541.db2.gz QPDWBMJZQGYBAC-BBRMVZONSA-N 1 0 282.428 2.325 10 0 CEAERO CCOC(=O)[C@](C)(N)CCCC[N@@H+]1CCCC[C@@H]1C ZINC000045376062 175366704 /nfs/dbraw/zinc/36/67/04/175366704.db2.gz YENJWOFPLADLKV-DZGCQCFKSA-N 1 0 270.417 2.312 10 0 CEAERO CCC[N@H+](C)CCCC[C@@](C)(NC1CC1)C(=O)OC ZINC000045382246 175370876 /nfs/dbraw/zinc/37/08/76/175370876.db2.gz USFQCVPOEBBIGB-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO C[NH2+][C@](C)(CCCC[N@H+](C)C1CCCC1)C(=O)[O-] ZINC000045384596 175371931 /nfs/dbraw/zinc/37/19/31/175371931.db2.gz SCBZQLKPTGOPLR-CQSZACIVSA-N 1 0 256.390 2.094 10 0 CEAERO CC[NH2+][C@](C)(CCCC[N@H+](C)C1CCCC1)C(=O)[O-] ZINC000045384609 175372129 /nfs/dbraw/zinc/37/21/29/175372129.db2.gz WJAFPCDLWVQSTG-OAHLLOKOSA-N 1 0 270.417 2.484 10 0 CEAERO CCC[N@H+](CCC[C@@](C)([NH2+]C(C)C)C(=O)[O-])C1CC1 ZINC000045387535 175372715 /nfs/dbraw/zinc/37/27/15/175372715.db2.gz KEFVVCVKNVPXLC-OAHLLOKOSA-N 1 0 270.417 2.482 10 0 CEAERO CCC[N@H+](CC)CCC[C@](C)(NCC)C(=O)OCC ZINC000045387082 175372739 /nfs/dbraw/zinc/37/27/39/175372739.db2.gz KBWQPTIYNTWIPB-HNNXBMFYSA-N 1 0 272.433 2.430 10 0 CEAERO CCOC(=O)[C@@](C)(CCC[N@H+](CC)C1CC1)NC1CC1 ZINC000045386621 175373045 /nfs/dbraw/zinc/37/30/45/175373045.db2.gz BGXMSTCENYEQCP-MRXNPFEDSA-N 1 0 282.428 2.325 10 0 CEAERO CCCCC[N@H+](C)CCC[C@@](C)([NH2+]CC)C(=O)[O-] ZINC000045388058 175373571 /nfs/dbraw/zinc/37/35/71/175373571.db2.gz BPSVFZHKCHHRQA-CQSZACIVSA-N 1 0 258.406 2.341 10 0 CEAERO CCCCC[N@H+](C)C[C@@H](NCCC)C(=O)OCC ZINC000045387830 175373792 /nfs/dbraw/zinc/37/37/92/175373792.db2.gz VFQSPKUACPGKHE-CYBMUJFWSA-N 1 0 258.406 2.040 10 0 CEAERO CC[N@H+](CCCC[C@@](C)([NH3+])C(=O)[O-])C1CCCC1 ZINC000045390221 175374401 /nfs/dbraw/zinc/37/44/01/175374401.db2.gz SZLIHCMTMDHMOA-CQSZACIVSA-N 1 0 256.390 2.223 10 0 CEAERO CC[N@H+](CCC[C@@](C)([NH2+]C)C(=O)[O-])C1CCCC1 ZINC000045390534 175374450 /nfs/dbraw/zinc/37/44/50/175374450.db2.gz YAWCGKSSJLJWDI-CQSZACIVSA-N 1 0 256.390 2.094 10 0 CEAERO CCOC(=O)[C@](C)(CCC[N@H+](C)C(CC)CC)NC ZINC000045391582 175374474 /nfs/dbraw/zinc/37/44/74/175374474.db2.gz MYAJXHLWZBAYEV-HNNXBMFYSA-N 1 0 272.433 2.428 10 0 CEAERO CCOC(=O)[C@@](C)([NH3+])CCCCN(CC)CC(F)(F)F ZINC000045420591 175379333 /nfs/dbraw/zinc/37/93/33/175379333.db2.gz RGUUHOGSDLLBCY-LBPRGKRZSA-N 1 0 298.349 2.321 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+][C@H](C)C2(CO)CC2)c1C ZINC000658160863 415238628 /nfs/dbraw/zinc/23/86/28/415238628.db2.gz PRERUGCTZIXJHX-ZWNOBZJWSA-N 1 0 265.401 2.331 10 0 CEAERO C[C@@H](CCCC(F)(F)F)[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000658240366 415274502 /nfs/dbraw/zinc/27/45/02/415274502.db2.gz QWHYTQMKHGZMTJ-VHSXEESVSA-N 1 0 266.307 2.175 10 0 CEAERO Cc1cc(C)cc([C@H](C)[NH2+]C[C@@H]2CC(=O)N(C)C2)c1 ZINC000658243457 415277935 /nfs/dbraw/zinc/27/79/35/415277935.db2.gz DIGSUPMCMNWVFW-KBPBESRZSA-N 1 0 260.381 2.432 10 0 CEAERO COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000658244523 415280573 /nfs/dbraw/zinc/28/05/73/415280573.db2.gz LQNCUIXCDHVRPR-OLZOCXBDSA-N 1 0 276.380 2.133 10 0 CEAERO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1cccc(Cl)c1 ZINC000658244535 415280857 /nfs/dbraw/zinc/28/08/57/415280857.db2.gz LXSQYTGKRIMCNX-MNOVXSKESA-N 1 0 266.772 2.469 10 0 CEAERO CCc1ccc([C@H](C)[NH2+]C[C@H]2CC(=O)N(C)C2)cc1 ZINC000658244512 415281522 /nfs/dbraw/zinc/28/15/22/415281522.db2.gz LOLQEIPTFJSPNC-GXTWGEPZSA-N 1 0 260.381 2.378 10 0 CEAERO C[C@@H]([NH2+]C1CC(CO)C1)c1cncc(Br)c1 ZINC000658353372 415332033 /nfs/dbraw/zinc/33/20/33/415332033.db2.gz MOXOCQDKGHKMQT-YDNLMGDJSA-N 1 0 285.185 2.266 10 0 CEAERO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C1CC(CO)C1 ZINC000658352446 415332051 /nfs/dbraw/zinc/33/20/51/415332051.db2.gz VVUILGIIUKDNOJ-LMWSTFAQSA-N 1 0 277.364 2.097 10 0 CEAERO C[C@@H]([NH2+]C1CC(CO)C1)c1ccc2c(c1)OCCCO2 ZINC000658351301 415333625 /nfs/dbraw/zinc/33/36/25/415333625.db2.gz MUMJAZVYIGYAIP-LKSINWNRSA-N 1 0 277.364 2.269 10 0 CEAERO CN1CCN(C(=[NH2+])c2cccc(Br)c2)CC1 ZINC000062995638 175680092 /nfs/dbraw/zinc/68/00/92/175680092.db2.gz VQWLNCHYLIXQEF-UHFFFAOYSA-N 1 0 282.185 2.022 10 0 CEAERO COc1ccccc1NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000659252008 415474218 /nfs/dbraw/zinc/47/42/18/415474218.db2.gz LNKIARGPNWQCEZ-UHFFFAOYSA-N 1 0 260.337 2.295 10 0 CEAERO COC[C@]1(C(=O)N(C)C2CCC(C)(C)CC2)CCC[NH2+]1 ZINC000659263765 415480228 /nfs/dbraw/zinc/48/02/28/415480228.db2.gz ZVTKPGWZVMUONM-INIZCTEOSA-N 1 0 282.428 2.182 10 0 CEAERO Cc1cc(C)cc(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000659344706 415533429 /nfs/dbraw/zinc/53/34/29/415533429.db2.gz ANRYTUWHPYJBPI-HUUCEWRRSA-N 1 0 260.381 2.295 10 0 CEAERO COc1cccc(N(C)[C@@]2(C[NH3+])CCO[C@@H](C)C2)c1 ZINC000070365502 175894798 /nfs/dbraw/zinc/89/47/98/175894798.db2.gz ZFDCQZSFGXRHMS-WFASDCNBSA-N 1 0 264.369 2.028 10 0 CEAERO CC(C)[C@H]1C[C@]([NH2+]C2CCCCCC2)(C(N)=O)CCO1 ZINC000070367872 175897844 /nfs/dbraw/zinc/89/78/44/175897844.db2.gz FKKMJEGXSDJLKN-ZBFHGGJFSA-N 1 0 282.428 2.358 10 0 CEAERO CC[NH2+][C@H](C)[C@H](O)c1ccc(OC)c(OC)c1Cl ZINC000070399501 175909997 /nfs/dbraw/zinc/90/99/97/175909997.db2.gz MJWDYOYBFBYWKX-PELKAZGASA-N 1 0 273.760 2.389 10 0 CEAERO Nc1ncccc1C[C@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC000070407279 175913542 /nfs/dbraw/zinc/91/35/42/175913542.db2.gz YVOSXDJCJYZVQO-CYBMUJFWSA-N 1 0 263.291 2.055 10 0 CEAERO Cc1ccc(C[C@H]([NH3+])Cc2cccnc2N)cc1C ZINC000070407497 175913615 /nfs/dbraw/zinc/91/36/15/175913615.db2.gz IUKYFMHCLPFOLK-HNNXBMFYSA-N 1 0 255.365 2.393 10 0 CEAERO CC[NH2+]C[C@@H](C)c1nc(-c2ccc3nccnc3c2)no1 ZINC000070432471 175927254 /nfs/dbraw/zinc/92/72/54/175927254.db2.gz SFXZKTHQCBJLFB-SNVBAGLBSA-N 1 0 283.335 2.393 10 0 CEAERO O=C(N[C@H]1CC[NH2+]C2(CCCCC2)C1)[C@H]1CCSC1 ZINC000070437376 175931894 /nfs/dbraw/zinc/93/18/94/175931894.db2.gz YSYWXPHXFOAQBJ-STQMWFEESA-N 1 0 282.453 2.311 10 0 CEAERO O=C(Nc1cnn(C2CC[NH2+]CC2)c1)[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000070442922 175934991 /nfs/dbraw/zinc/93/49/91/175934991.db2.gz YOYZXRAMNQODBR-YWPYICTPSA-N 1 0 288.395 2.182 10 0 CEAERO C[C@]1(c2ccc(Br)s2)C[C@@]1(C[NH3+])CO ZINC000070500995 175958477 /nfs/dbraw/zinc/95/84/77/175958477.db2.gz UWSRPRHRBDBAOL-NXEZZACHSA-N 1 0 276.199 2.109 10 0 CEAERO CCN[C@@](C)(CC[NH+](CC1CC1)CC1CC1)C(=O)OCC ZINC000070506678 175959060 /nfs/dbraw/zinc/95/90/60/175959060.db2.gz SWBFLFMIBQIHPU-KRWDZBQOSA-N 1 0 296.455 2.430 10 0 CEAERO CCCN[C@](C)(CC[NH+](CC1CC1)CC1CC1)C(=O)OC ZINC000070506822 175959617 /nfs/dbraw/zinc/95/96/17/175959617.db2.gz JPYDGXFSYOHSNB-QGZVFWFLSA-N 1 0 296.455 2.430 10 0 CEAERO CC(C)[NH2+][C@@](CO)(COc1cccc(N(C)C)c1)C1CC1 ZINC000070516831 175965640 /nfs/dbraw/zinc/96/56/40/175965640.db2.gz JDFDOGJPUNQHFH-KRWDZBQOSA-N 1 0 292.423 2.271 10 0 CEAERO CC[NH2+][C@](C)(CO)C[C@@H](C)OCCOc1ccccc1 ZINC000070517513 175965969 /nfs/dbraw/zinc/96/59/69/175965969.db2.gz HWPXIBSOQMDOKR-ZBFHGGJFSA-N 1 0 281.396 2.221 10 0 CEAERO [NH3+]CCc1ccc(C(=O)N2Cc3ccccc3C2)cc1 ZINC000070552918 175981738 /nfs/dbraw/zinc/98/17/38/175981738.db2.gz KHVKJHCESBJSHM-UHFFFAOYSA-N 1 0 266.344 2.344 10 0 CEAERO COc1cc(-c2noc([C@H]3CCC[C@@H]([NH3+])C3)n2)ccc1O ZINC000070557224 175985302 /nfs/dbraw/zinc/98/53/02/175985302.db2.gz QNCHOJQVGIBVSN-WDEREUQCSA-N 1 0 289.335 2.436 10 0 CEAERO Cc1csc(Cc2noc([C@@H]3CCC[C@H]([NH3+])C3)n2)n1 ZINC000070557792 175985529 /nfs/dbraw/zinc/98/55/29/175985529.db2.gz CGOVNJGGOKQYQZ-ZJUUUORDSA-N 1 0 278.381 2.410 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)OCCC(C)C)C1 ZINC000070825379 176008166 /nfs/dbraw/zinc/00/81/66/176008166.db2.gz NCJCGEQUJIAMHU-KGLIPLIRSA-N 1 0 270.417 2.038 10 0 CEAERO C[C@H]([NH3+])c1csc(N(C)Cc2cscn2)n1 ZINC000070845810 176008947 /nfs/dbraw/zinc/00/89/47/176008947.db2.gz CHGAXYXARGYLSE-ZETCQYMHSA-N 1 0 254.384 2.256 10 0 CEAERO CC[C@](C)(C[NH3+])Nc1ncccc1Br ZINC000070894888 176010788 /nfs/dbraw/zinc/01/07/88/176010788.db2.gz KFGBCMQOJGOYAO-SNVBAGLBSA-N 1 0 258.163 2.383 10 0 CEAERO Cc1ccccc1CC(=O)N(CC[NH3+])C1CCCC1 ZINC000070943654 176016488 /nfs/dbraw/zinc/01/64/88/176016488.db2.gz GYNUIXFUFMFNAN-UHFFFAOYSA-N 1 0 260.381 2.267 10 0 CEAERO CCOc1ccccc1C(=O)N(CC[NH3+])C1CCCC1 ZINC000070943580 176016835 /nfs/dbraw/zinc/01/68/35/176016835.db2.gz VWNNFTSQTNGMJP-UHFFFAOYSA-N 1 0 276.380 2.429 10 0 CEAERO [NH3+][C@H]1CCC(=O)N(C2CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000070987097 176018518 /nfs/dbraw/zinc/01/85/18/176018518.db2.gz FDMUXUXCCHZUQM-FZMZJTMJSA-N 1 0 284.281 2.257 10 0 CEAERO Cc1cc(C)cc([C@@H]2[C@@H]([NH3+])CCC(=O)N2C2CC2)c1 ZINC000070987564 176018679 /nfs/dbraw/zinc/01/86/79/176018679.db2.gz RAXXFKQRTHRWMQ-GOEBONIOSA-N 1 0 258.365 2.457 10 0 CEAERO COC(=O)C1CC[NH+](C[C@H]2OCCc3ccccc32)CC1 ZINC000071030806 176022231 /nfs/dbraw/zinc/02/22/31/176022231.db2.gz HJWNSSNZYWNAEV-MRXNPFEDSA-N 1 0 289.375 2.185 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCCN1CCc1cccs1 ZINC000071033451 176023479 /nfs/dbraw/zinc/02/34/79/176023479.db2.gz DLFASEOMLCIAAR-ZDUSSCGKSA-N 1 0 264.394 2.034 10 0 CEAERO CC(C)[NH2+][C@H]1CCN(c2cc(F)cc(F)c2)C1=O ZINC000071033455 176023505 /nfs/dbraw/zinc/02/35/05/176023505.db2.gz JLUMNFMHRDPAES-LBPRGKRZSA-N 1 0 254.280 2.068 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCCN1Cc1ccc(F)cc1 ZINC000071033390 176023517 /nfs/dbraw/zinc/02/35/17/176023517.db2.gz HOAGXXOAFFTPBB-AWEZNQCLSA-N 1 0 262.328 2.069 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCN1c1ccc(F)cc1Cl ZINC000071032507 176023810 /nfs/dbraw/zinc/02/38/10/176023810.db2.gz OXOKFEQERSAYCJ-LLVKDONJSA-N 1 0 268.719 2.336 10 0 CEAERO CC[NH2+][C@H]1CCCN([C@H](C)c2cccc(F)c2)C1=O ZINC000071034947 176024756 /nfs/dbraw/zinc/02/47/56/176024756.db2.gz LFFWCPXTVOQUQN-RISCZKNCSA-N 1 0 264.344 2.487 10 0 CEAERO C[C@H](Cc1ccsc1)N1CC[C@@H]([NH2+]C2CC2)C1=O ZINC000071035412 176025287 /nfs/dbraw/zinc/02/52/87/176025287.db2.gz XZCPCOYCSGJWLA-ZWNOBZJWSA-N 1 0 264.394 2.032 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCN1c1cccc2cccnc21 ZINC000071037588 176026727 /nfs/dbraw/zinc/02/67/27/176026727.db2.gz NDAAVOGZARDADW-CYBMUJFWSA-N 1 0 267.332 2.092 10 0 CEAERO CCC[NH2+][C@H]1CCCN(CCc2ccc(F)cc2)C1=O ZINC000071038164 176027031 /nfs/dbraw/zinc/02/70/31/176027031.db2.gz OZYUZJJSEZNONN-HNNXBMFYSA-N 1 0 278.371 2.359 10 0 CEAERO CC(C)[NH2+][C@H]1CCCN([C@@H](C)c2ccco2)C1=O ZINC000071040122 176027537 /nfs/dbraw/zinc/02/75/37/176027537.db2.gz KMLHWRUZROZNHE-RYUDHWBXSA-N 1 0 250.342 2.330 10 0 CEAERO CCCOc1ccc(N2CC[C@@H]([NH2+]C3CC3)C2=O)cc1 ZINC000071041903 176027998 /nfs/dbraw/zinc/02/79/98/176027998.db2.gz JYDBTLVXXXWCMJ-OAHLLOKOSA-N 1 0 274.364 2.333 10 0 CEAERO CCCOc1ccc(N2CC[C@H]([NH2+]C3CC3)C2=O)cc1 ZINC000071041900 176028117 /nfs/dbraw/zinc/02/81/17/176028117.db2.gz JYDBTLVXXXWCMJ-HNNXBMFYSA-N 1 0 274.364 2.333 10 0 CEAERO CC[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C2CC2)C1=O ZINC000071041856 176028290 /nfs/dbraw/zinc/02/82/90/176028290.db2.gz UOXXCWHLXRNHBV-HUUCEWRRSA-N 1 0 258.365 2.491 10 0 CEAERO CCC[NH2+][C@@H]1CCCN(CCc2cc(F)cc(F)c2)C1=O ZINC000071042442 176028546 /nfs/dbraw/zinc/02/85/46/176028546.db2.gz OGTZCBITKXBDFA-OAHLLOKOSA-N 1 0 296.361 2.498 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCN1c1cnc2ccccc2c1 ZINC000071042709 176028831 /nfs/dbraw/zinc/02/88/31/176028831.db2.gz DUASAYPITBOLSC-HNNXBMFYSA-N 1 0 267.332 2.092 10 0 CEAERO CC(C)[NH2+][C@H]1CCN([C@@H]2CCOc3ccccc32)C1=O ZINC000071043224 176029014 /nfs/dbraw/zinc/02/90/14/176029014.db2.gz DPCXOSIKECIKPP-UONOGXRCSA-N 1 0 274.364 2.109 10 0 CEAERO CC[NH2+][C@H]1CCCN([C@@H](C)Cc2cccs2)C1=O ZINC000071043823 176029854 /nfs/dbraw/zinc/02/98/54/176029854.db2.gz LVRHBKRQYVDBTI-AAEUAGOBSA-N 1 0 266.410 2.280 10 0 CEAERO OCC1([NH2+]C[C@@H]2OCCc3ccccc32)CCCC1 ZINC000071091111 176031097 /nfs/dbraw/zinc/03/10/97/176031097.db2.gz AEWLOOMNIOAIJY-HNNXBMFYSA-N 1 0 261.365 2.195 10 0 CEAERO CC[NH2+]Cc1nccn1C[C@@H]1OCCc2ccccc21 ZINC000071092286 176031879 /nfs/dbraw/zinc/03/18/79/176031879.db2.gz KMFKBUGCTQSXEU-HNNXBMFYSA-N 1 0 271.364 2.307 10 0 CEAERO CC[N@H+](CCC(N)=S)C[C@H]1OCCc2ccccc21 ZINC000071091323 176031991 /nfs/dbraw/zinc/03/19/91/176031991.db2.gz JEIBHXYCHZFRFE-CQSZACIVSA-N 1 0 278.421 2.299 10 0 CEAERO C[C@H]([NH3+])c1cnn(C[C@@H]2OCCc3ccccc32)c1 ZINC000071098922 176032330 /nfs/dbraw/zinc/03/23/30/176032330.db2.gz XAEYXLORXWFBGP-NHYWBVRUSA-N 1 0 257.337 2.217 10 0 CEAERO CC(C)[N@H+](CCCO)C[C@@H]1OCCc2ccccc21 ZINC000071098217 176032435 /nfs/dbraw/zinc/03/24/35/176032435.db2.gz XSNKSWVPNLIJBG-INIZCTEOSA-N 1 0 263.381 2.393 10 0 CEAERO CC[C@@H]1CCC[C@](C[NH3+])(N(C)Cc2cnn(C)c2)C1 ZINC000071123873 176034947 /nfs/dbraw/zinc/03/49/47/176034947.db2.gz AOMDKCXZKWZDIT-HIFRSBDPSA-N 1 0 264.417 2.150 10 0 CEAERO CC[C@@H]1CCC[C@@](C[NH3+])(N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000071122567 176035256 /nfs/dbraw/zinc/03/52/56/176035256.db2.gz ZEAMSEUYUQTBOH-LXTVHRRPSA-N 1 0 254.418 2.393 10 0 CEAERO CCOC(=O)[C@@]1(N2CCC[NH2+]CC2)CCC[C@H](CC)C1 ZINC000071125781 176035692 /nfs/dbraw/zinc/03/56/92/176035692.db2.gz LCLMWGYXFMJEEU-GOEBONIOSA-N 1 0 282.428 2.184 10 0 CEAERO CCC[C@@H](C)[C@@H]([NH3+])c1ccc2c(c1)C(=O)N(C)C(=O)C2 ZINC000071139399 176037861 /nfs/dbraw/zinc/03/78/61/176037861.db2.gz KZASRWSCBYCAKP-MEBBXXQBSA-N 1 0 274.364 2.277 10 0 CEAERO C[NH2+]C[C@@H]1CCN(Cc2nnc(-c3ccc(C)cc3)o2)C1 ZINC000071147535 176043165 /nfs/dbraw/zinc/04/31/65/176043165.db2.gz LAIVGVIWRWUIIA-ZDUSSCGKSA-N 1 0 286.379 2.086 10 0 CEAERO CC[NH2+][C@@H]1CCOC[C@H]1Oc1cc(F)ccc1F ZINC000071167428 176049257 /nfs/dbraw/zinc/04/92/57/176049257.db2.gz ZLPDPHSMNZDMPZ-DGCLKSJQSA-N 1 0 257.280 2.111 10 0 CEAERO CC[N@H+](C1CC1)[C@](C)(CN)Cc1ccc(OC)cc1 ZINC000071169088 176049730 /nfs/dbraw/zinc/04/97/30/176049730.db2.gz ASGGBHPCHSEVEF-INIZCTEOSA-N 1 0 262.397 2.439 10 0 CEAERO Fc1ccc(F)c(OCC[NH2+]C2CCOCC2)c1 ZINC000071169014 176049828 /nfs/dbraw/zinc/04/98/28/176049828.db2.gz NBIXFXMXQSXSNV-UHFFFAOYSA-N 1 0 257.280 2.112 10 0 CEAERO CC(C)(C)c1ccccc1NS(=O)(=O)CCCC[NH3+] ZINC000071174324 176053807 /nfs/dbraw/zinc/05/38/07/176053807.db2.gz RZMLMOBGXDJMQZ-UHFFFAOYSA-N 1 0 284.425 2.465 10 0 CEAERO CC(C)CN(CCC[NH3+])c1cncc(OC(C)C)n1 ZINC000071175862 176054532 /nfs/dbraw/zinc/05/45/32/176054532.db2.gz FGACWHHGWQLBRO-UHFFFAOYSA-N 1 0 266.389 2.075 10 0 CEAERO CC[NH2+]Cc1ccc(O[C@@H]2CCN(C)C2=O)c(Cl)c1 ZINC000071183062 176058493 /nfs/dbraw/zinc/05/84/93/176058493.db2.gz FUDTUHHIAWGJGH-CYBMUJFWSA-N 1 0 282.771 2.059 10 0 CEAERO CCC[NH2+]Cc1cc(C)ccc1O[C@H]1CCN(C)C1=O ZINC000071183239 176058715 /nfs/dbraw/zinc/05/87/15/176058715.db2.gz SKCJKFMGTDZKFN-HNNXBMFYSA-N 1 0 276.380 2.104 10 0 CEAERO CN(C[C@@H]1CC[N@H+](C)C1)c1cc(Cl)ccc1C[NH3+] ZINC000071187587 176060864 /nfs/dbraw/zinc/06/08/64/176060864.db2.gz SIGOKDQGECMENF-LLVKDONJSA-N 1 0 267.804 2.187 10 0 CEAERO C[C@H](C[N@H+](C)C[C@@H]1CCN(C)C1)C(=O)c1ccccc1 ZINC000071191227 176069944 /nfs/dbraw/zinc/06/99/44/176069944.db2.gz VFKPPYPQJQBOPR-HUUCEWRRSA-N 1 0 274.408 2.389 10 0 CEAERO CC(=O)c1cccc(NC(=O)N(C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000071193039 176075205 /nfs/dbraw/zinc/07/52/05/176075205.db2.gz MABVNZOXBVZGBI-CYBMUJFWSA-N 1 0 289.379 2.305 10 0 CEAERO COCC[NH2+]CCCc1cnn(Cc2cccc(F)c2)c1 ZINC000071193650 176076054 /nfs/dbraw/zinc/07/60/54/176076054.db2.gz GIQDXXLJRDJTCA-UHFFFAOYSA-N 1 0 291.370 2.239 10 0 CEAERO COc1cc(OC)cc(N2CC[C@H]([NH2+]C3CC3)C2)c1 ZINC000071197927 176076504 /nfs/dbraw/zinc/07/65/04/176076504.db2.gz KWPGJOVROCMBKL-LBPRGKRZSA-N 1 0 262.353 2.035 10 0 CEAERO CC[NH2+][C@@H]1CCCN(CCc2ccc(F)cc2)C1 ZINC000071198340 176077155 /nfs/dbraw/zinc/07/71/55/176077155.db2.gz KNIHYUVIRSHNKM-OAHLLOKOSA-N 1 0 250.361 2.442 10 0 CEAERO Fc1cc(F)c(N2CC[C@@H]([NH2+]C3CC3)C2)cc1F ZINC000071199592 176077242 /nfs/dbraw/zinc/07/72/42/176077242.db2.gz TYYCFOABWUBBPV-SECBINFHSA-N 1 0 256.271 2.435 10 0 CEAERO C[C@H]1CCC[C@@H]1[NH2+][C@@H]1CS(=O)(=O)c2ccccc21 ZINC000071207035 176080427 /nfs/dbraw/zinc/08/04/27/176080427.db2.gz REXJPAGICMYCPS-WCFLWFBJSA-N 1 0 265.378 2.293 10 0 CEAERO CCc1cc2c(ncnc2N(CCC[NH3+])CCOC)s1 ZINC000071223703 176088382 /nfs/dbraw/zinc/08/83/82/176088382.db2.gz HZJSMNKYCXTGFZ-UHFFFAOYSA-N 1 0 294.424 2.055 10 0 CEAERO CCCN(C(C)C)S(=O)(=O)c1ccc(F)c(C[NH3+])c1 ZINC000071239689 176094461 /nfs/dbraw/zinc/09/44/61/176094461.db2.gz VILAGVMRGUAKBG-UHFFFAOYSA-N 1 0 288.388 2.094 10 0 CEAERO [NH3+]Cc1cc(F)ccc1CN1CCO[C@@H]2CCC[C@@H]21 ZINC000071263549 176096464 /nfs/dbraw/zinc/09/64/64/176096464.db2.gz GNKBNWOXYLDVJT-LSDHHAIUSA-N 1 0 264.344 2.038 10 0 CEAERO [NH3+]Cc1cc(F)ccc1CN1CCO[C@H]2CCC[C@@H]21 ZINC000071263547 176096997 /nfs/dbraw/zinc/09/69/97/176096997.db2.gz GNKBNWOXYLDVJT-GJZGRUSLSA-N 1 0 264.344 2.038 10 0 CEAERO CCOC(=O)[C@@H](C)C[NH2+][C@@H](C)Cc1cccs1 ZINC000071269834 176103501 /nfs/dbraw/zinc/10/35/01/176103501.db2.gz JOPFGBPEFKBOOI-QWRGUYRKSA-N 1 0 255.383 2.468 10 0 CEAERO COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H](O)C1CC1 ZINC000071277805 176107599 /nfs/dbraw/zinc/10/75/99/176107599.db2.gz RYGKOKVWBDRUJG-HZPDHXFCSA-N 1 0 261.365 2.433 10 0 CEAERO CCOC(=O)CCCCC[NH2+]Cc1ccncc1 ZINC000071293277 176111123 /nfs/dbraw/zinc/11/11/23/176111123.db2.gz JDKQYQOKUSJYGE-UHFFFAOYSA-N 1 0 250.342 2.295 10 0 CEAERO CCOC(=O)CCCCC[N@H+](C)[C@@H](C)CC(N)=S ZINC000071297650 176112383 /nfs/dbraw/zinc/11/23/83/176112383.db2.gz UPIPXIAZVAFPGR-NSHDSACASA-N 1 0 274.430 2.106 10 0 CEAERO C[C@@H](CCc1ccc2c(c1)OCO2)N(C)[C@@H]1CC[NH2+]C1 ZINC000071309220 176116674 /nfs/dbraw/zinc/11/66/74/176116674.db2.gz JYIGXAYJLHRZGB-GXTWGEPZSA-N 1 0 276.380 2.030 10 0 CEAERO COc1ccc([C@H](C)N(C)[C@@H]2CC[NH2+]C2)c(OC)c1 ZINC000071309715 176116982 /nfs/dbraw/zinc/11/69/82/176116982.db2.gz LFLOSVHPAAKKPS-NWDGAFQWSA-N 1 0 264.369 2.059 10 0 CEAERO CCN(C(=O)c1cc(Cl)ccc1F)[C@@H]1CC[NH2+]C1 ZINC000071312602 176119285 /nfs/dbraw/zinc/11/92/85/176119285.db2.gz NSSMCSBRXMWAEB-SNVBAGLBSA-N 1 0 270.735 2.303 10 0 CEAERO CCN(C(=O)c1nccc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000071312420 176119382 /nfs/dbraw/zinc/11/93/82/176119382.db2.gz BMNXIPPWLDVBQL-ZDUSSCGKSA-N 1 0 269.348 2.059 10 0 CEAERO CCN(Cc1noc(-c2cccc(C)c2)n1)[C@@H]1CC[NH2+]C1 ZINC000071313356 176119677 /nfs/dbraw/zinc/11/96/77/176119677.db2.gz SGMWHYDOFYZHNR-CQSZACIVSA-N 1 0 286.379 2.229 10 0 CEAERO CCCN(CC(=O)Nc1cc(F)ccc1C)[C@@H]1CC[NH2+]C1 ZINC000071331520 176125390 /nfs/dbraw/zinc/12/53/90/176125390.db2.gz BEWKBQGFSJHEKQ-CQSZACIVSA-N 1 0 293.386 2.147 10 0 CEAERO Cc1ccc(CCC(=O)NC[C@H]2[NH2+]CCC[C@@H]2C)cc1 ZINC000071338818 176129169 /nfs/dbraw/zinc/12/91/69/176129169.db2.gz MXBURYSFUFFBES-GOEBONIOSA-N 1 0 274.408 2.432 10 0 CEAERO C[C@H]1CCC[NH2+][C@H]1CNC(=O)Nc1cccc(F)c1 ZINC000071338982 176129543 /nfs/dbraw/zinc/12/95/43/176129543.db2.gz VKWJOTQZIZKVMJ-GWCFXTLKSA-N 1 0 265.332 2.335 10 0 CEAERO CC1(C)CN(CCn2cccn2)[C@@H](c2ccccc2)C[NH2+]1 ZINC000071342945 176130455 /nfs/dbraw/zinc/13/04/55/176130455.db2.gz HWUMYXSXWCZJQM-MRXNPFEDSA-N 1 0 284.407 2.308 10 0 CEAERO Cc1cccnc1CN1CC[C@@H](C[NH2+]CC(C)C)C1 ZINC000071344223 176130990 /nfs/dbraw/zinc/13/09/90/176130990.db2.gz PGIKQMYDZATRFY-HNNXBMFYSA-N 1 0 261.413 2.458 10 0 CEAERO CC[C@H]1C[N@H+](C[C@@H]2CCCCO2)[C@H](C(C)C)CN1 ZINC000071343718 176131098 /nfs/dbraw/zinc/13/10/98/176131098.db2.gz XAACFISZPSBDDN-KKUMJFAQSA-N 1 0 254.418 2.264 10 0 CEAERO CC[C@@H]1CN(CCn2ccnc2C)C(CC)(CC)C[NH2+]1 ZINC000071345087 176131622 /nfs/dbraw/zinc/13/16/22/176131622.db2.gz HGOAMDBUKCJARD-OAHLLOKOSA-N 1 0 278.444 2.434 10 0 CEAERO CCC[C@H]1C[NH2+][C@H](C(C)(C)C)CN1CCOCCOC ZINC000071346736 176132048 /nfs/dbraw/zinc/13/20/48/176132048.db2.gz AVVMEMOQRIUJFE-GJZGRUSLSA-N 1 0 286.460 2.138 10 0 CEAERO CC[C@]1(C)C[NH2+][C@H](C(C)(C)C)CN1Cc1ncccn1 ZINC000071348534 176132492 /nfs/dbraw/zinc/13/24/92/176132492.db2.gz LCDJSJOONNRJIX-XJKSGUPXSA-N 1 0 276.428 2.465 10 0 CEAERO CCOCCN1C[C@@H](CC(C)C)[NH2+]C[C@@H]1C1CC1 ZINC000071351100 176134503 /nfs/dbraw/zinc/13/45/03/176134503.db2.gz GEYNDHMJKLYEOL-HUUCEWRRSA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@H](CC(C)C)CN1Cc1cnn(C)c1 ZINC000071351940 176135067 /nfs/dbraw/zinc/13/50/67/176135067.db2.gz VRVHYBLYYQYKHR-CVEARBPZSA-N 1 0 278.444 2.409 10 0 CEAERO CC[C@@H](C)[C@@H]1C[NH2+][C@@](C)(CC)CN1Cc1ncccn1 ZINC000071357088 176136566 /nfs/dbraw/zinc/13/65/66/176136566.db2.gz RDLLBOBBYFECJM-YCPHGPKFSA-N 1 0 276.428 2.465 10 0 CEAERO CC[C@@]1(C)CN(Cc2ncccn2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000071358085 176137515 /nfs/dbraw/zinc/13/75/15/176137515.db2.gz XOYVOXWSWURRQI-JKSUJKDBSA-N 1 0 274.412 2.219 10 0 CEAERO CCC[C@@H]1C[NH2+]C2(CCCCC2)CN1CCOCCOC ZINC000071359507 176137559 /nfs/dbraw/zinc/13/75/59/176137559.db2.gz CMSCZWRISYRRHE-MRXNPFEDSA-N 1 0 298.471 2.426 10 0 CEAERO CC[C@]1(C)C[N@H+](CCOCCOC)C2(CCCCC2)CN1 ZINC000071358030 176137774 /nfs/dbraw/zinc/13/77/74/176137774.db2.gz ZFVKCRSRHKRISO-MRXNPFEDSA-N 1 0 298.471 2.426 10 0 CEAERO CC[C@@H]1C[NH2+]C2(CCCCC2)CN1CCn1cccn1 ZINC000071359398 176137813 /nfs/dbraw/zinc/13/78/13/176137813.db2.gz GRFOOAQSWRKKCC-OAHLLOKOSA-N 1 0 276.428 2.270 10 0 CEAERO C[N@H+](CCN1Cc2cccc(N)c2C1)C1CCCC1 ZINC000071379060 176143399 /nfs/dbraw/zinc/14/33/99/176143399.db2.gz FZEBSAUFVGKJLJ-UHFFFAOYSA-N 1 0 259.397 2.459 10 0 CEAERO CC[NH+](CC)[C@@H]1CCN(Cc2cc(C)ccc2N)C1 ZINC000071384079 176147108 /nfs/dbraw/zinc/14/71/08/176147108.db2.gz IAUQCRXUZNDVFI-OAHLLOKOSA-N 1 0 261.413 2.493 10 0 CEAERO CCCOCCOc1nc2ccccc2cc1C[NH3+] ZINC000071385944 176147380 /nfs/dbraw/zinc/14/73/80/176147380.db2.gz YTPGGKBCJSVJJB-UHFFFAOYSA-N 1 0 260.337 2.499 10 0 CEAERO NC(=[NH2+])c1cc2ccccc2nc1OC[C@@H]1CCCCO1 ZINC000071390337 176148313 /nfs/dbraw/zinc/14/83/13/176148313.db2.gz IYPYMPGFXRFAJN-LBPRGKRZSA-N 1 0 285.347 2.467 10 0 CEAERO NC(=[NH2+])c1cc2ccccc2nc1OC[C@H]1CCCCO1 ZINC000071390338 176148538 /nfs/dbraw/zinc/14/85/38/176148538.db2.gz IYPYMPGFXRFAJN-GFCCVEGCSA-N 1 0 285.347 2.467 10 0 CEAERO CCOC(=O)COc1ccc(C[NH2+]C)cc1C(F)(F)F ZINC000071398553 176151668 /nfs/dbraw/zinc/15/16/68/176151668.db2.gz ORWBLOGSHOISDZ-UHFFFAOYSA-N 1 0 291.269 2.367 10 0 CEAERO [NH3+]Cc1ccc(O[C@@H]2CCC[C@@H]2O)c(C(F)(F)F)c1 ZINC000071398357 176151708 /nfs/dbraw/zinc/15/17/08/176151708.db2.gz YBWBBIYPFORJGY-CMPLNLGQSA-N 1 0 275.270 2.456 10 0 CEAERO [NH3+]Cc1ccc(OCc2ncon2)c(C(F)(F)F)c1 ZINC000071398316 176151762 /nfs/dbraw/zinc/15/17/62/176151762.db2.gz QJRWGHDGSIYXPA-UHFFFAOYSA-N 1 0 273.214 2.126 10 0 CEAERO [NH3+][C@@H](CCC(=O)NCC[C@@H]1CCCO1)c1ccccc1 ZINC000071400890 176153249 /nfs/dbraw/zinc/15/32/49/176153249.db2.gz ZPVBTAKAAWDCIQ-GJZGRUSLSA-N 1 0 276.380 2.152 10 0 CEAERO CCC[C@H](C)NC(=O)COc1ccc(C)cc1C[NH2+]C ZINC000071403455 176154760 /nfs/dbraw/zinc/15/47/60/176154760.db2.gz WQVUZCLWSVDGHZ-ZDUSSCGKSA-N 1 0 278.396 2.398 10 0 CEAERO CNC(=O)[C@H](C)Oc1ccc(C)cc1C[NH2+]CC(C)C ZINC000071407348 176156534 /nfs/dbraw/zinc/15/65/34/176156534.db2.gz GYRBLXGJNWDWNL-ZDUSSCGKSA-N 1 0 278.396 2.254 10 0 CEAERO Cc1nc(COc2ccc(C)cc2C[C@@H](C)[NH3+])no1 ZINC000071411653 176156999 /nfs/dbraw/zinc/15/69/99/176156999.db2.gz ZNMVJLGRYAGIHY-SNVBAGLBSA-N 1 0 261.325 2.155 10 0 CEAERO CC[C@H]([NH3+])Cc1cc(C)ccc1OCCS(=O)(=O)CC ZINC000071412312 176157368 /nfs/dbraw/zinc/15/73/68/176157368.db2.gz WWTQNLRDGCFSAX-AWEZNQCLSA-N 1 0 299.436 2.088 10 0 CEAERO CCNC(=O)CCOc1ccc(C)cc1C[C@H]([NH3+])CC ZINC000071412221 176157678 /nfs/dbraw/zinc/15/76/78/176157678.db2.gz VHKFZIKFIOBXBY-CQSZACIVSA-N 1 0 278.396 2.180 10 0 CEAERO Cc1ccncc1NC(=O)c1cccc(CC[NH3+])c1 ZINC000071412548 176157746 /nfs/dbraw/zinc/15/77/46/176157746.db2.gz UVJNRFCKWXDLNR-UHFFFAOYSA-N 1 0 255.321 2.144 10 0 CEAERO Cc1ccc(S(=O)(=O)CC[NH2+]C(C)C)c(C)c1 ZINC000071576816 176204533 /nfs/dbraw/zinc/20/45/33/176204533.db2.gz GNCOFDNFXFVKFQ-UHFFFAOYSA-N 1 0 255.383 2.075 10 0 CEAERO CCOc1ccccc1CCCN1CC[NH2+]C[C@@H]1C ZINC000071589118 176217406 /nfs/dbraw/zinc/21/74/06/176217406.db2.gz CDEUCRLKXGKIOV-AWEZNQCLSA-N 1 0 262.397 2.312 10 0 CEAERO COc1ccc([C@@H](O)[C@@H](C)[NH2+]C2CC2)c(OC)c1C ZINC000071597842 176221631 /nfs/dbraw/zinc/22/16/31/176221631.db2.gz XSDWBJNWMKVZOS-YGRLFVJLSA-N 1 0 265.353 2.186 10 0 CEAERO COc1ccc([C@H](O)[C@H](C)[NH2+]C2CC2)c(OC)c1C ZINC000071597843 176221655 /nfs/dbraw/zinc/22/16/55/176221655.db2.gz XSDWBJNWMKVZOS-IINYFYTJSA-N 1 0 265.353 2.186 10 0 CEAERO CC(C)(C)OC(=O)NC[C@H]([NH3+])c1ccc(F)c(F)c1 ZINC000071611709 176231846 /nfs/dbraw/zinc/23/18/46/176231846.db2.gz RXYLRTQMMIQLIB-NSHDSACASA-N 1 0 272.295 2.489 10 0 CEAERO CC(C)[NH2+][C@H]1C[C@@H](Cc2cc(CO)on2)C1(C)C ZINC000072320766 176368928 /nfs/dbraw/zinc/36/89/28/176368928.db2.gz NLTLJWLGSXQMII-MFKMUULPSA-N 1 0 252.358 2.122 10 0 CEAERO COc1ccc([C@@H]2Cc3n[nH]cc3[C@@H]([NH3+])C2)cc1OC ZINC000072415374 176399334 /nfs/dbraw/zinc/39/93/34/176399334.db2.gz URKJMQZAIBPKTB-JQWIXIFHSA-N 1 0 273.336 2.157 10 0 CEAERO COc1ccccc1[C@H]1Cc2n[nH]c(C)c2[C@@H]([NH3+])C1 ZINC000072415408 176399509 /nfs/dbraw/zinc/39/95/09/176399509.db2.gz KBBSFKPJPQLFIO-PWSUYJOCSA-N 1 0 257.337 2.457 10 0 CEAERO O=c1[nH]ncc(N2CCC[C@@H](C3CC[NH2+]CC3)C2)c1Cl ZINC000656607650 415783758 /nfs/dbraw/zinc/78/37/58/415783758.db2.gz DKBLJOCHATWIGX-LLVKDONJSA-N 1 0 296.802 2.052 10 0 CEAERO Cc1ccnc(N(C)CC(C)(C)[NH3+])c1Br ZINC000656609364 415785020 /nfs/dbraw/zinc/78/50/20/415785020.db2.gz NSPDQQKGDZOSNP-UHFFFAOYSA-N 1 0 272.190 2.326 10 0 CEAERO CC[C@H]([NH2+]C)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000662368124 415808459 /nfs/dbraw/zinc/80/84/59/415808459.db2.gz KRBPMSKHMORKSC-UTLUCORTSA-N 1 0 266.307 2.222 10 0 CEAERO [NH3+][C@H]1CC[C@@H](C(=O)N2CCC(C3CCC3)CC2)C1 ZINC000662632179 415913703 /nfs/dbraw/zinc/91/37/03/415913703.db2.gz NSCZANCQQDMFES-KGLIPLIRSA-N 1 0 250.386 2.153 10 0 CEAERO CO[C@@H](CNC(=O)CC[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000662733509 415947480 /nfs/dbraw/zinc/94/74/80/415947480.db2.gz KVLULNDTMWPDTG-CABCVRRESA-N 1 0 282.428 2.230 10 0 CEAERO C[C@]1(C(=O)N2CCC[C@H](CCF)C2)CCCC[NH2+]1 ZINC000662689753 415930993 /nfs/dbraw/zinc/93/09/93/415930993.db2.gz XGIAHTXKNFJWAL-TZMCWYRMSA-N 1 0 256.365 2.117 10 0 CEAERO CCOc1ccccc1N1C[C@H](CC[NH2+]C)OC1=O ZINC000076367586 177005423 /nfs/dbraw/zinc/00/54/23/177005423.db2.gz PAHHHPUOPBELLQ-NSHDSACASA-N 1 0 264.325 2.020 10 0 CEAERO C[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000076409370 177020138 /nfs/dbraw/zinc/02/01/38/177020138.db2.gz PZMWGCCGYZBGSO-QMMMGPOBSA-N 1 0 271.158 2.386 10 0 CEAERO COC(=O)c1ccc(Cl)c(N(C)C[C@H](C)C[NH3+])c1 ZINC000076408785 177020181 /nfs/dbraw/zinc/02/01/81/177020181.db2.gz IDEZXGYQHHVRDM-SECBINFHSA-N 1 0 270.760 2.158 10 0 CEAERO CC[C@H](C)NC(=O)[C@H](CC[NH3+])c1cccc(F)c1 ZINC000076656581 177046059 /nfs/dbraw/zinc/04/60/59/177046059.db2.gz ROBMQTSDRQENLS-GXFFZTMASA-N 1 0 252.333 2.173 10 0 CEAERO CC[C@H](CC[NH3+])c1ccc(S(=O)(=O)CC)cc1 ZINC000076661035 177048727 /nfs/dbraw/zinc/04/87/27/177048727.db2.gz BDRFSPJQHWFALF-LLVKDONJSA-N 1 0 255.383 2.323 10 0 CEAERO [NH3+]CCN(Cc1ccncc1)Cc1cccc(F)c1 ZINC000076668737 177052513 /nfs/dbraw/zinc/05/25/13/177052513.db2.gz PJLLXBBDHVBSEA-UHFFFAOYSA-N 1 0 259.328 2.182 10 0 CEAERO O[C@@H](c1cnn(-c2ccccc2)c1)[C@@H]1CCCC[NH2+]1 ZINC000078597611 177357680 /nfs/dbraw/zinc/35/76/80/177357680.db2.gz FUOYUKTVEJQSBK-GJZGRUSLSA-N 1 0 257.337 2.048 10 0 CEAERO COc1cccc(C2CC([NH2+]Cc3cnc[nH]3)C2)c1 ZINC000078640680 177364536 /nfs/dbraw/zinc/36/45/36/177364536.db2.gz MXAZSBWTKUBMDF-UHFFFAOYSA-N 1 0 257.337 2.454 10 0 CEAERO CC[C@@H](CC[NH3+])CCC(=O)Nc1ccc(OC)c(O)c1 ZINC000079209070 177446800 /nfs/dbraw/zinc/44/68/00/177446800.db2.gz CLYKSHULIMUHBX-LLVKDONJSA-N 1 0 280.368 2.495 10 0 CEAERO CC[C@@H](CC[NH3+])CCCN1CCN(CC(F)(F)F)CC1 ZINC000079214250 177449101 /nfs/dbraw/zinc/44/91/01/177449101.db2.gz JKLOWGKHVXJJDZ-CYBMUJFWSA-N 1 0 295.393 2.322 10 0 CEAERO CCC[C@H](CC[NH3+])CCC(=O)N1CCOC[C@@H]1CC ZINC000079237055 177453152 /nfs/dbraw/zinc/45/31/52/177453152.db2.gz HSGDDTQYGQQCEY-KBPBESRZSA-N 1 0 270.417 2.169 10 0 CEAERO CCC[C@H](CC[NH3+])CCC(=O)N(C)C[C@@H]1CCCO1 ZINC000079240424 177453987 /nfs/dbraw/zinc/45/39/87/177453987.db2.gz XQJPDPVCJNVBRA-KBPBESRZSA-N 1 0 270.417 2.169 10 0 CEAERO C[C@H]1CCC(=O)N(Cc2cc(C[NH3+])ccc2F)CC1 ZINC000079245045 177455229 /nfs/dbraw/zinc/45/52/29/177455229.db2.gz MPXPATOXRZQVNA-NSHDSACASA-N 1 0 264.344 2.433 10 0 CEAERO CSCc1noc(CC[C@@H](CC[NH3+])C(C)C)n1 ZINC000079253616 177459088 /nfs/dbraw/zinc/45/90/88/177459088.db2.gz HHBXELKPGRPTMP-JTQLQIEISA-N 1 0 257.403 2.486 10 0 CEAERO Cc1ccc(CNC(=O)CC[C@H](CC[NH3+])C(C)C)cn1 ZINC000079278588 177462347 /nfs/dbraw/zinc/46/23/47/177462347.db2.gz YCICMTLQVWKZSA-OAHLLOKOSA-N 1 0 277.412 2.407 10 0 CEAERO CO[C@H]1CCC[C@@H]1NC(=O)CC[C@@H](CC[NH3+])C(C)(C)C ZINC000079293232 177465183 /nfs/dbraw/zinc/46/51/83/177465183.db2.gz BYLRGFWWFBWICH-IHRRRGAJSA-N 1 0 284.444 2.461 10 0 CEAERO CC[C@H]1CCCN(C(=O)c2cnn(CCC[NH3+])c2C)CC1 ZINC000079300547 177466329 /nfs/dbraw/zinc/46/63/29/177466329.db2.gz LERUBXWIJQQKQZ-AWEZNQCLSA-N 1 0 292.427 2.193 10 0 CEAERO Clc1cccnc1SCC[NH2+]C[C@H]1CCOC1 ZINC000079450455 177492202 /nfs/dbraw/zinc/49/22/02/177492202.db2.gz JBTMKKCDKIYSJM-SNVBAGLBSA-N 1 0 272.801 2.453 10 0 CEAERO C[C@]1(C(=O)Nc2ccccc2N2CCCC2)CCC[NH2+]1 ZINC000079513697 177510789 /nfs/dbraw/zinc/51/07/89/177510789.db2.gz AIMSWNJSQGEHCO-MRXNPFEDSA-N 1 0 273.380 2.367 10 0 CEAERO Cc1ccccc1C[C@@H](C)NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+] ZINC000079528148 177516210 /nfs/dbraw/zinc/51/62/10/177516210.db2.gz KYKWSJFZCSQPAZ-CMZRPVNOSA-N 1 0 286.419 2.416 10 0 CEAERO C[C@]1(C(=O)N(Cc2ccsc2)C2CC2)CCC[NH2+]1 ZINC000079545606 177518845 /nfs/dbraw/zinc/51/88/45/177518845.db2.gz QLPTXUPEUFJJCK-CQSZACIVSA-N 1 0 264.394 2.381 10 0 CEAERO COC1CC[NH+](C[C@@H]2CC(C)(C)CC[C@H]2O)CC1 ZINC000079673886 177535836 /nfs/dbraw/zinc/53/58/36/177535836.db2.gz PLRLWNRVFKIIQB-GXTWGEPZSA-N 1 0 255.402 2.284 10 0 CEAERO CCC[C@H](COC)[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000079741333 177548398 /nfs/dbraw/zinc/54/83/98/177548398.db2.gz CVEUGCCZFPNSGP-GFCCVEGCSA-N 1 0 282.350 2.418 10 0 CEAERO CCC[C@@H](COC)[NH2+]CC(=O)Nc1ccccc1C ZINC000079743577 177548718 /nfs/dbraw/zinc/54/87/18/177548718.db2.gz IYCOOTSOKFFMQX-ZDUSSCGKSA-N 1 0 264.369 2.338 10 0 CEAERO CCN(C[C@H](C)C(N)=[NH2+])C(=O)Nc1cccc(F)c1 ZINC000079778922 177557226 /nfs/dbraw/zinc/55/72/26/177557226.db2.gz ZLJJENAWKDVPMP-VIFPVBQESA-N 1 0 266.320 2.252 10 0 CEAERO CCC(CC)(NC(=O)Nc1ccc(F)cc1)C(N)=[NH2+] ZINC000079779292 177557785 /nfs/dbraw/zinc/55/77/85/177557785.db2.gz IUPZPFJGENILMY-UHFFFAOYSA-N 1 0 266.320 2.442 10 0 CEAERO CC[NH2+]Cc1cc(=O)[nH]c(-c2ccc(Cl)cc2)n1 ZINC000079939901 177584389 /nfs/dbraw/zinc/58/43/89/177584389.db2.gz XQHRABNUPMMPPA-UHFFFAOYSA-N 1 0 263.728 2.200 10 0 CEAERO NC(=O)[C@H]1CCC[NH2+][C@@H]1c1cccc(C(F)(F)F)c1 ZINC000080097660 177607169 /nfs/dbraw/zinc/60/71/69/177607169.db2.gz WYNQQYOOQSTPLX-WDEREUQCSA-N 1 0 272.270 2.231 10 0 CEAERO CN(Cc1ccsc1)C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000136146504 419441419 /nfs/dbraw/zinc/44/14/19/419441419.db2.gz FRVXLULEYBGFRX-ZDUSSCGKSA-N 1 0 252.383 2.239 10 0 CEAERO COCCOc1ccc(NC(=O)C[C@@H]([NH3+])C(C)C)cc1 ZINC000136361636 419443882 /nfs/dbraw/zinc/44/38/82/419443882.db2.gz GSSXFYVGRKBKOE-CQSZACIVSA-N 1 0 280.368 2.024 10 0 CEAERO Cc1ccc(C[C@H](C)NC(=O)C[C@@H]([NH3+])C(C)C)s1 ZINC000136471144 419446589 /nfs/dbraw/zinc/44/65/89/419446589.db2.gz WVQUMGZEXJRNPJ-GXFFZTMASA-N 1 0 268.426 2.477 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)CCOc1ccc(F)cc1 ZINC000136380233 419446892 /nfs/dbraw/zinc/44/68/92/419446892.db2.gz RBYQDZICCMGTNF-AWEZNQCLSA-N 1 0 282.359 2.036 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)NCc1ccccc1Br ZINC000136439368 419447617 /nfs/dbraw/zinc/44/76/17/419447617.db2.gz WBGVENVJQBKNOH-LBPRGKRZSA-N 1 0 299.212 2.439 10 0 CEAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000221593476 419465004 /nfs/dbraw/zinc/46/50/04/419465004.db2.gz VOWWZEFBQAZXNP-ZDCRXTMVSA-N 1 0 278.318 2.222 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(C)n2)C12CCOCC2 ZINC000186262401 270249489 /nfs/dbraw/zinc/24/94/89/270249489.db2.gz NRURQULYCBDRCV-JKSUJKDBSA-N 1 0 290.407 2.454 10 0 CEAERO [NH3+][C@H]1CCCN(C(=O)Cc2cccc(Cl)c2Cl)C1 ZINC000334661583 270335779 /nfs/dbraw/zinc/33/57/79/270335779.db2.gz LLOHPKZEIPJUJV-JTQLQIEISA-N 1 0 287.190 2.486 10 0 CEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000393025409 270341529 /nfs/dbraw/zinc/34/15/29/270341529.db2.gz TYSLKRHJZXAXQF-PYJNHQTQSA-N 1 0 250.386 2.212 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(C)n2)C12CCOCC2 ZINC000186262454 270249506 /nfs/dbraw/zinc/24/95/06/270249506.db2.gz NRURQULYCBDRCV-CVEARBPZSA-N 1 0 290.407 2.454 10 0 CEAERO CCC[C@@H](C)[N@@H+]1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000187684410 270255443 /nfs/dbraw/zinc/25/54/43/270255443.db2.gz MVUSFVVUIFWPMF-KGLIPLIRSA-N 1 0 251.374 2.081 10 0 CEAERO Cn1nccc1C1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000188994435 270260383 /nfs/dbraw/zinc/26/03/83/270260383.db2.gz IQHFBCQTNAAHPM-AWEZNQCLSA-N 1 0 263.385 2.169 10 0 CEAERO CCc1ccccc1CC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000191137216 270272139 /nfs/dbraw/zinc/27/21/39/270272139.db2.gz AZVZRXHZTVHYJD-QGZVFWFLSA-N 1 0 286.419 2.488 10 0 CEAERO CO[C@@H]1CCC[C@H]1[NH2+][C@H]1CC(=O)N(C)c2ccccc21 ZINC000250402029 270328635 /nfs/dbraw/zinc/32/86/35/270328635.db2.gz STVAQOBOIWYIJK-VNHYZAJKSA-N 1 0 274.364 2.251 10 0 CEAERO CC(C)CO[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)N[C@H]2C)C1(C)C ZINC000392932022 270341515 /nfs/dbraw/zinc/34/15/15/270341515.db2.gz KTZKLNSBZFKRPA-XDQVBPFNSA-N 1 0 282.428 2.083 10 0 CEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000392978450 270341667 /nfs/dbraw/zinc/34/16/67/270341667.db2.gz YVRVEGIBLAKEDL-FZZIBODNSA-N 1 0 278.783 2.064 10 0 CEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000392978449 270341798 /nfs/dbraw/zinc/34/17/98/270341798.db2.gz YVRVEGIBLAKEDL-CUOATXAZSA-N 1 0 278.783 2.064 10 0 CEAERO C[C@@H](CCC1CC1)[NH2+]C[C@@H](O)COCc1ccco1 ZINC000398101492 270355794 /nfs/dbraw/zinc/35/57/94/270355794.db2.gz XHKSTDOUTSNRGE-GXTWGEPZSA-N 1 0 267.369 2.325 10 0 CEAERO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)cc1F ZINC000398961674 270364784 /nfs/dbraw/zinc/36/47/84/270364784.db2.gz VEUQKEGAJSKNTK-IHRRRGAJSA-N 1 0 279.355 2.427 10 0 CEAERO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1ncccc1C(=O)OC ZINC000399662203 270371034 /nfs/dbraw/zinc/37/10/34/270371034.db2.gz LOLDSSLRPGNLTJ-NWDGAFQWSA-N 1 0 262.353 2.489 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)CCSc1ccccc1F ZINC000423660067 270929823 /nfs/dbraw/zinc/92/98/23/270929823.db2.gz FVRVEYHHOYRPJD-CMPLNLGQSA-N 1 0 282.384 2.256 10 0 CEAERO C[C@@H]1CC[C@H](C(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)O1 ZINC000246008907 287725912 /nfs/dbraw/zinc/72/59/12/287725912.db2.gz KTVYNOVLIDXPKI-IVMMDQJWSA-N 1 0 288.391 2.073 10 0 CEAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CCc1ccncc1 ZINC000083704519 274372324 /nfs/dbraw/zinc/37/23/24/274372324.db2.gz PLDZFUSPCMKLGZ-GDBMZVCRSA-N 1 0 259.397 2.183 10 0 CEAERO FC(F)(F)c1cc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccn1 ZINC000261573495 274906416 /nfs/dbraw/zinc/90/64/16/274906416.db2.gz ARIYPOXYEOLIOP-KOLCDFICSA-N 1 0 271.286 2.289 10 0 CEAERO CCC1(CC)CCN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000094803456 275961377 /nfs/dbraw/zinc/96/13/77/275961377.db2.gz YYPXJVKGKSJBCY-CHWSQXEVSA-N 1 0 252.402 2.413 10 0 CEAERO CC(C)c1ccc(NC(=O)C2([NH3+])CCOCC2)cc1 ZINC000127704788 276054715 /nfs/dbraw/zinc/05/47/15/276054715.db2.gz JLZKWEZQGQGXCL-UHFFFAOYSA-N 1 0 262.353 2.256 10 0 CEAERO CC(C)n1ccnc1CN1C[C@@H]([NH3+])Cc2ccccc21 ZINC000335301430 276086384 /nfs/dbraw/zinc/08/63/84/276086384.db2.gz NAAGAQGTVONOEL-AWEZNQCLSA-N 1 0 270.380 2.354 10 0 CEAERO CC1(C)CN(C(=O)[C@@H]2CCc3ccccc32)CC[C@H]1[NH3+] ZINC000261692524 276125410 /nfs/dbraw/zinc/12/54/10/276125410.db2.gz DGWVNUBUMQADQC-HUUCEWRRSA-N 1 0 272.392 2.302 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C[C@H](O)Cc1ccccc1 ZINC000171645845 276183309 /nfs/dbraw/zinc/18/33/09/276183309.db2.gz VCUIVXBBMQFGMS-DLBZAZTESA-N 1 0 276.424 2.006 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+][C@H]2CCC[C@@H](C)C2)C1 ZINC000263486601 276315122 /nfs/dbraw/zinc/31/51/22/276315122.db2.gz HNCLZGRQKKRPOF-KBHBFKLGSA-N 1 0 268.401 2.092 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000246149709 276376870 /nfs/dbraw/zinc/37/68/70/276376870.db2.gz QFIWUNJSIDHIPT-KBPBESRZSA-N 1 0 297.443 2.070 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@]2(C[C@H]2C[NH3+])CC1 ZINC000091304157 277187375 /nfs/dbraw/zinc/18/73/75/277187375.db2.gz KBQCLINUFRQRTK-SMDDNHRTSA-N 1 0 254.374 2.372 10 0 CEAERO CC(C)(C)OC(=O)N[C@H]1C[NH2+]C[C@@H]1c1ccccc1F ZINC000068575174 277204533 /nfs/dbraw/zinc/20/45/33/277204533.db2.gz XIPNTDCDXQQQDR-YPMHNXCESA-N 1 0 280.343 2.406 10 0 CEAERO CC(C)(C)c1nsc(N[C@H]2CCC[C@H]2C[NH3+])n1 ZINC000089105736 277281702 /nfs/dbraw/zinc/28/17/02/277281702.db2.gz MSAZHEKUVWFLSE-IUCAKERBSA-N 1 0 254.403 2.375 10 0 CEAERO CC(C)CC[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)C1CC1 ZINC000338779728 277365107 /nfs/dbraw/zinc/36/51/07/277365107.db2.gz LHOBMFLLOOKBET-XBFCOCLRSA-N 1 0 252.402 2.458 10 0 CEAERO COC[C@H]([NH3+])C(=O)N(C)[C@H](C)c1sc(C(C)C)nc1C ZINC000262211683 277594207 /nfs/dbraw/zinc/59/42/07/277594207.db2.gz DZRNZQUWOYIEAR-MNOVXSKESA-N 1 0 299.440 2.068 10 0 CEAERO CC(C)[C@@H](CO)C[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000348295607 277745602 /nfs/dbraw/zinc/74/56/02/277745602.db2.gz UHIZPQCCVMXWQW-CHWSQXEVSA-N 1 0 275.396 2.488 10 0 CEAERO C[C@@H]1CC[C@@H](C(=O)N2C[C@H]([NH+](C)C)Cc3ccccc32)O1 ZINC000153711925 277771561 /nfs/dbraw/zinc/77/15/61/277771561.db2.gz KTVYNOVLIDXPKI-XPKDYRNWSA-N 1 0 288.391 2.073 10 0 CEAERO CC(C)[C@@H]1CCCCN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261833116 277774070 /nfs/dbraw/zinc/77/40/70/277774070.db2.gz UHWLFQDEOHWEPS-MCIONIFRSA-N 1 0 252.402 2.399 10 0 CEAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(C)CCO2)CC(C)(C)C1 ZINC000090714883 278026572 /nfs/dbraw/zinc/02/65/72/278026572.db2.gz TWUSNURNJQTYMR-HZSPNIEDSA-N 1 0 254.418 2.121 10 0 CEAERO 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2.206 10 0 CEAERO CC[C@H]([NH2+][C@@H](C)C(=O)N1CCCC1)[C@H]1CC1(C)C ZINC000397742497 280683115 /nfs/dbraw/zinc/68/31/15/280683115.db2.gz NLFQSXGZCCKJBQ-XQQFMLRXSA-N 1 0 252.402 2.412 10 0 CEAERO C[C@@H]1CN2CCCC[C@H]2C[N@@H+]1C[C@H]1CCCCO1 ZINC000252661374 288299136 /nfs/dbraw/zinc/29/91/36/288299136.db2.gz IYLCHNUOHQDQHL-QLFBSQMISA-N 1 0 252.402 2.114 10 0 CEAERO Cc1ccc2oc(C(=O)N3CC[C@@H]([NH3+])[C@@H]3C)cc2c1 ZINC000261602076 281177448 /nfs/dbraw/zinc/17/74/48/281177448.db2.gz QHKFDFLJJRFZKK-CMPLNLGQSA-N 1 0 258.321 2.303 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1CC1(C)C ZINC000245506311 281198342 /nfs/dbraw/zinc/19/83/42/281198342.db2.gz HAXVUVDQCKYOLJ-RWMBFGLXSA-N 1 0 250.386 2.118 10 0 CEAERO CC1(C)Cc2occc2[C@@H]([NH2+][C@H]2CCc3ncnn3C2)C1 ZINC000180601158 281376791 /nfs/dbraw/zinc/37/67/91/281376791.db2.gz XHGTZWKCFURLOO-AAEUAGOBSA-N 1 0 286.379 2.489 10 0 CEAERO Cc1csc2c1ncnc2N1C[C@@H](C[NH3+])C[C@H]1C ZINC000261548428 281746939 /nfs/dbraw/zinc/74/69/39/281746939.db2.gz AMPDUTXGIOVGBG-NXEZZACHSA-N 1 0 262.382 2.173 10 0 CEAERO CN(C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000179075310 281837299 /nfs/dbraw/zinc/83/72/99/281837299.db2.gz LUOIBHWWUROBQE-MGPQQGTHSA-N 1 0 278.783 2.264 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCc2ccsc2C1 ZINC000335553443 288847039 /nfs/dbraw/zinc/84/70/39/288847039.db2.gz WJBSHLYIQIXMRA-JQWIXIFHSA-N 1 0 264.394 2.021 10 0 CEAERO CC[C@@H](OC1CCCCC1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000154437765 289145252 /nfs/dbraw/zinc/14/52/52/289145252.db2.gz SPIMFFYHARKPGI-UKRRQHHQSA-N 1 0 282.428 2.277 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)C2(c3ccccc3)CCC2)C1 ZINC000082287422 289310956 /nfs/dbraw/zinc/31/09/56/289310956.db2.gz GGXFOVZVIVJNES-OAHLLOKOSA-N 1 0 272.392 2.271 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)C1 ZINC000163611728 289314748 /nfs/dbraw/zinc/31/47/48/289314748.db2.gz BULYPOHBAHCMLF-RBSFLKMASA-N 1 0 264.413 2.365 10 0 CEAERO C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CCCC23CCC3)C1 ZINC000334762297 289387873 /nfs/dbraw/zinc/38/78/73/289387873.db2.gz SOEJYHIVNZYQBY-OLZOCXBDSA-N 1 0 265.401 2.197 10 0 CEAERO Cc1csc([C@@H]2CCCCN2C(=O)C[C@@H](C)[NH3+])n1 ZINC000261687920 293052008 /nfs/dbraw/zinc/05/20/08/293052008.db2.gz BWDSZKVEVCFOOA-KOLCDFICSA-N 1 0 267.398 2.242 10 0 CEAERO [NH3+]CC1(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCOCC1 ZINC000261878567 295221112 /nfs/dbraw/zinc/22/11/12/295221112.db2.gz DZSUDCFFPKGTEV-RRFJBIMHSA-N 1 0 294.439 2.217 10 0 CEAERO C[C@H](C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000261573940 298075891 /nfs/dbraw/zinc/07/58/91/298075891.db2.gz WIXZQYOIEHVDNQ-GXTWGEPZSA-N 1 0 260.381 2.376 10 0 CEAERO Cc1cc(C)c(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(C)c1 ZINC000261773975 301169099 /nfs/dbraw/zinc/16/90/99/301169099.db2.gz OWXBBZNRIBJGMH-KKUMJFAQSA-N 1 0 272.392 2.421 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)NCCCOC2CCCCC2)C1 ZINC000170826925 312664808 /nfs/dbraw/zinc/66/48/08/312664808.db2.gz FMADRZYSCZPVAG-CQSZACIVSA-N 1 0 297.443 2.071 10 0 CEAERO CCc1ccnc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1 ZINC000179986840 312760825 /nfs/dbraw/zinc/76/08/25/312760825.db2.gz FIPQLYIEBBJRBG-CQSZACIVSA-N 1 0 277.412 2.350 10 0 CEAERO CC(C)(C)[C@H](O)C[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000324486673 312836706 /nfs/dbraw/zinc/83/67/06/312836706.db2.gz KLGRBSOFESQLSD-YRGRVCCFSA-N 1 0 273.442 2.038 10 0 CEAERO C[C@H](C[NH2+]C[C@H](O)COCc1ccco1)CC(F)(F)F ZINC000396897738 329318384 /nfs/dbraw/zinc/31/83/84/329318384.db2.gz ABXIXXPDNADJLR-QWRGUYRKSA-N 1 0 295.301 2.335 10 0 CEAERO CC(C)N[C@@](C)(C[C@H](C)[N@H+](C)CC1CCCC1)C(N)=O ZINC000068647047 519736733 /nfs/dbraw/zinc/73/67/33/519736733.db2.gz LHLQFXLSEVCJBR-BBRMVZONSA-N 1 0 283.460 2.129 10 0 CEAERO CC(C)C[NH2+]C[C@@H](C(C)C)N1CCOC(C)(C)C1 ZINC000052481716 519744425 /nfs/dbraw/zinc/74/44/25/519744425.db2.gz VHEPPTGLQYOBQK-AWEZNQCLSA-N 1 0 256.434 2.367 10 0 CEAERO CCC[N@@H+]1CCC[C@@H]([C@@H](C)N[C@@H](C)C(=O)OCC)C1 ZINC000049369727 519852202 /nfs/dbraw/zinc/85/22/02/519852202.db2.gz ZRJXJSUVRWBZEJ-HZSPNIEDSA-N 1 0 270.417 2.038 10 0 CEAERO CCCC1(C(=O)Nc2cc(C)no2)CC[NH2+]CC1 ZINC000062847562 519888325 /nfs/dbraw/zinc/88/83/25/519888325.db2.gz FMNCOYKGDNFBQO-UHFFFAOYSA-N 1 0 251.330 2.091 10 0 CEAERO CC[NH2+]CCC(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000061290797 519917187 /nfs/dbraw/zinc/91/71/87/519917187.db2.gz YAKISWZQIVJDIS-SECBINFHSA-N 1 0 256.296 2.142 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N(C)Cc1cc(C)ccc1OC ZINC000061267465 519931454 /nfs/dbraw/zinc/93/14/54/519931454.db2.gz QSRKKSJJTGDFLV-CYBMUJFWSA-N 1 0 278.396 2.208 10 0 CEAERO CCC[NH2+]Cc1cc(Cl)ccc1O[C@@H](CC)C(N)=O ZINC000061675738 519943654 /nfs/dbraw/zinc/94/36/54/519943654.db2.gz AWAOSCSWWBQHPX-LBPRGKRZSA-N 1 0 284.787 2.482 10 0 CEAERO CCC[NH2+][C@@H](CS(C)(=O)=O)c1ccc(F)c(F)c1 ZINC000055237560 520010891 /nfs/dbraw/zinc/01/08/91/520010891.db2.gz QIZAXBIZISXYFY-LBPRGKRZSA-N 1 0 277.336 2.050 10 0 CEAERO CCOCCO[C@H](C[NH2+]C)c1ccc(OC)cc1 ZINC000050489234 520028111 /nfs/dbraw/zinc/02/81/11/520028111.db2.gz OVTMYNAEOBFAHJ-CQSZACIVSA-N 1 0 253.342 2.009 10 0 CEAERO CC[NH2+]Cc1sc(N2CCO[C@H](CC)C2)nc1C ZINC000054997386 520035537 /nfs/dbraw/zinc/03/55/37/520035537.db2.gz MIAGOILYGVHKGN-LLVKDONJSA-N 1 0 269.414 2.176 10 0 CEAERO CCC[NH2+][C@H](C)c1cc(C)ccc1OC[C@H](O)COC ZINC000069053641 520063406 /nfs/dbraw/zinc/06/34/06/520063406.db2.gz XXKJLTGWDPJLGT-ZIAGYGMSSA-N 1 0 281.396 2.442 10 0 CEAERO CCC[NH2+][C@H](CC[NH+]1CCCCCCC1)C(=O)[O-] ZINC000062438804 520073464 /nfs/dbraw/zinc/07/34/64/520073464.db2.gz VXQGJVYRLBVSAK-CYBMUJFWSA-N 1 0 256.390 2.095 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(O[C@H](CC)C(N)=O)c(OC)c1 ZINC000061675825 520078370 /nfs/dbraw/zinc/07/83/70/520078370.db2.gz ZQLJGNIQPWMKAV-CMPLNLGQSA-N 1 0 280.368 2.008 10 0 CEAERO CCCN[C@](C)(C[N@H+](CC)CC1CC1)C(=O)OCC ZINC000069239618 520107776 /nfs/dbraw/zinc/10/77/76/520107776.db2.gz PNTIKLICQZVYDO-OAHLLOKOSA-N 1 0 270.417 2.040 10 0 CEAERO CCCN[C@](C[N@H+](CC(C)C)C1CC1)(C(=O)OC)C1CC1 ZINC000069132015 520120240 /nfs/dbraw/zinc/12/02/40/520120240.db2.gz YISFEYQWKORQFD-KRWDZBQOSA-N 1 0 296.455 2.428 10 0 CEAERO CCCCC[N@H+](C)C[C@@](NC(C)C)(C(=O)OC)C1CC1 ZINC000069098402 520152111 /nfs/dbraw/zinc/15/21/11/520152111.db2.gz HCSRVMCSWLOKOV-INIZCTEOSA-N 1 0 284.444 2.428 10 0 CEAERO CCCCC[N@H+](C)CC[C@@H](NC(C)C)C(=O)OC ZINC000062447590 520149209 /nfs/dbraw/zinc/14/92/09/520149209.db2.gz UAIPQBMHQUOLIK-CYBMUJFWSA-N 1 0 258.406 2.038 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N(C)c1ccccc1OC ZINC000061274523 520163058 /nfs/dbraw/zinc/16/30/58/520163058.db2.gz COEFLKPXYXJJHS-LLVKDONJSA-N 1 0 250.342 2.046 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N[C@@H](C)CCc1ccc(O)cc1 ZINC000061271112 520166956 /nfs/dbraw/zinc/16/69/56/520166956.db2.gz NEEIKSVSKCKYRB-QWHCGFSZSA-N 1 0 278.396 2.218 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(=O)NC)c1 ZINC000061271587 520169864 /nfs/dbraw/zinc/16/98/64/520169864.db2.gz OXJWMQWMFMVRGG-SECBINFHSA-N 1 0 297.786 2.026 10 0 CEAERO CC[NH2+][C@H](CC)c1ccc(OC[C@@H](O)COC)cc1 ZINC000069053583 520185321 /nfs/dbraw/zinc/18/53/21/520185321.db2.gz RSYCBYIFFNQRGG-DZGCQCFKSA-N 1 0 267.369 2.133 10 0 CEAERO CC[NH2+][C@H](CC[N@H+](C)C1CCC(CC)CC1)C(=O)[O-] ZINC000062525958 520185785 /nfs/dbraw/zinc/18/57/85/520185785.db2.gz UMLSTMCRWOQYNI-JXQTWKCFSA-N 1 0 270.417 2.340 10 0 CEAERO CC[NH2+][C@H](c1ccc(OC)c(F)c1)c1cnccn1 ZINC000055264015 520208155 /nfs/dbraw/zinc/20/81/55/520208155.db2.gz UFPWULHCBGOWPH-CQSZACIVSA-N 1 0 261.300 2.323 10 0 CEAERO CC[NH2+][C@H](c1ccc(OC)cc1C)[C@H]1COCCO1 ZINC000055299989 520208275 /nfs/dbraw/zinc/20/82/75/520208275.db2.gz OGIMAGNULANSMD-HUUCEWRRSA-N 1 0 265.353 2.070 10 0 CEAERO CCN[C@](C)(C[C@@H](C)[N@H+](C)CC1CCCCC1)C(N)=O ZINC000068638356 520232955 /nfs/dbraw/zinc/23/29/55/520232955.db2.gz HRBHQGHYJGXIBA-CZUORRHYSA-N 1 0 283.460 2.131 10 0 CEAERO CCO[C@@H](C[NH3+])COc1cccc2c1OC(C)(C)C2 ZINC000062740206 520310277 /nfs/dbraw/zinc/31/02/77/520310277.db2.gz VFLQETVOFAPKOY-LBPRGKRZSA-N 1 0 265.353 2.143 10 0 CEAERO CCN(CC(F)(F)F)C(=O)[C@@H]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000055137088 520417142 /nfs/dbraw/zinc/41/71/42/520417142.db2.gz BVRRYEVBNRIGCF-IVZWLZJFSA-N 1 0 266.307 2.161 10 0 CEAERO CCOc1ccc(-c2nnc(CCC[NH2+]C)o2)cc1 ZINC000050616662 520822818 /nfs/dbraw/zinc/82/28/18/520822818.db2.gz VUSPIESJESBHNM-UHFFFAOYSA-N 1 0 261.325 2.287 10 0 CEAERO CC[N@H+](CC1(CO)CCOCC1)C1CCCCC1 ZINC000052199097 520937541 /nfs/dbraw/zinc/93/75/41/520937541.db2.gz YONYAXFGDVGBJP-UHFFFAOYSA-N 1 0 255.402 2.430 10 0 CEAERO CCOC(=O)[C@@H](C)n1c(N)[nH+]c2cc(Cl)ccc21 ZINC000049374745 521043274 /nfs/dbraw/zinc/04/32/74/521043274.db2.gz KTVXTTQGHNJAPS-SSDOTTSWSA-N 1 0 267.716 2.396 10 0 CEAERO CC[N@H+](CCOC)[C@@H](CC(N)=S)c1ccccc1 ZINC000055025117 521137343 /nfs/dbraw/zinc/13/73/43/521137343.db2.gz QAAGFSRZYHMLQI-ZDUSSCGKSA-N 1 0 266.410 2.372 10 0 CEAERO CCC(CC)C[N@H+](CC)CC[C@H]([NH2+]C1CC1)C(=O)[O-] ZINC000062461720 521521415 /nfs/dbraw/zinc/52/14/15/521521415.db2.gz WPWZKRYIHZAEGE-AWEZNQCLSA-N 1 0 270.417 2.340 10 0 CEAERO CCC(CC)[N@H+](C)Cc1ccnc(C(N)=S)c1 ZINC000068752016 521541693 /nfs/dbraw/zinc/54/16/93/521541693.db2.gz ODIHKELHHZTJKN-UHFFFAOYSA-N 1 0 251.399 2.336 10 0 CEAERO CCCc1nc(N2C[C@@H](C)O[C@H](C)C2)sc1C[NH2+]C ZINC000054995518 521534853 /nfs/dbraw/zinc/53/48/53/521534853.db2.gz QPPDBARBVBJYPN-GHMZBOCLSA-N 1 0 283.441 2.429 10 0 CEAERO COCC[C@@H]([NH3+])c1nnc(C)n1C1CCCCC1 ZINC000052785696 521834441 /nfs/dbraw/zinc/83/44/41/521834441.db2.gz FMEYNWZFFXCZQD-GFCCVEGCSA-N 1 0 252.362 2.128 10 0 CEAERO C[NH2+]Cc1nc(COc2ccc(OC)cc2)cs1 ZINC000052676406 522151670 /nfs/dbraw/zinc/15/16/70/522151670.db2.gz WJHSZBDJPAQCQP-UHFFFAOYSA-N 1 0 264.350 2.450 10 0 CEAERO C[NH2+]Cc1nnc(-c2cc(Cl)ccc2OC)o1 ZINC000050615340 522154934 /nfs/dbraw/zinc/15/49/34/522154934.db2.gz SZONFRMMYYGZKT-UHFFFAOYSA-N 1 0 253.689 2.118 10 0 CEAERO C[NH2+]Cc1occc1CN(C)Cc1cscn1 ZINC000052503790 522165308 /nfs/dbraw/zinc/16/53/08/522165308.db2.gz UAXMNUKJZBVYMK-UHFFFAOYSA-N 1 0 251.355 2.088 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cc(OC)c(OC)cc1F ZINC000156818031 522304251 /nfs/dbraw/zinc/30/42/51/522304251.db2.gz YNHBUAQURLHQFV-AMIZOPFISA-N 1 0 284.331 2.155 10 0 CEAERO COC(=O)c1cc(C[NH2+][C@H](C)[C@H]2CCCO2)cs1 ZINC000411537995 533828615 /nfs/dbraw/zinc/82/86/15/533828615.db2.gz SSLFNEXXHHWQRS-MWLCHTKSSA-N 1 0 269.366 2.192 10 0 CEAERO C[NH2+][C@@H](CS(C)(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000055228594 522356927 /nfs/dbraw/zinc/35/69/27/522356927.db2.gz HVDYHZDMSKWWPL-JTQLQIEISA-N 1 0 281.299 2.011 10 0 CEAERO C[NH2+][C@H](CS(C)(=O)=O)c1cccc2ccccc21 ZINC000054930187 522469954 /nfs/dbraw/zinc/46/99/54/522469954.db2.gz DXBJTJPKDRLCTP-CQSZACIVSA-N 1 0 263.362 2.145 10 0 CEAERO CC[C@@H](C[NH2+]C(C)(C)C)N(CCCOC)CCOC ZINC000052543207 522544459 /nfs/dbraw/zinc/54/44/59/522544459.db2.gz PGUGVAMBMPXJRI-AWEZNQCLSA-N 1 0 274.449 2.138 10 0 CEAERO [NH3+]Cc1ccc(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)o1 ZINC000094567134 518197562 /nfs/dbraw/zinc/19/75/62/518197562.db2.gz QJLAHLKWZCUXPC-UHFFFAOYSA-N 1 0 282.303 2.381 10 0 CEAERO CC(C)(C)NC(=O)[C@@H](C[NH3+])Cc1ccc2ncccc2c1 ZINC000069500516 518745460 /nfs/dbraw/zinc/74/54/60/518745460.db2.gz XZYFZQMKSHUHJE-CQSZACIVSA-N 1 0 285.391 2.267 10 0 CEAERO CC(C)(C)[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000052377985 518765918 /nfs/dbraw/zinc/76/59/18/518765918.db2.gz PAMUGNFRDUSBJD-UHFFFAOYSA-N 1 0 262.397 2.407 10 0 CEAERO CC(C)C[C@H](CN(C)C)[NH2+]C[C@H](O)c1ccccc1 ZINC000049555758 519341506 /nfs/dbraw/zinc/34/15/06/519341506.db2.gz NBBUNCMYELTFLG-CVEARBPZSA-N 1 0 264.413 2.286 10 0 CEAERO CC(C)C[C@H]1C[NH2+][C@@H](C(C)C)CN1Cc1ncccn1 ZINC000068703316 519414460 /nfs/dbraw/zinc/41/44/60/519414460.db2.gz FKZQDIZPGZIWNP-LSDHHAIUSA-N 1 0 276.428 2.321 10 0 CEAERO CC(C)CCCCCCNC(=O)CN1CCC[NH2+]CC1 ZINC000061273720 519637855 /nfs/dbraw/zinc/63/78/55/519637855.db2.gz JXZNYNQFUVBRHG-UHFFFAOYSA-N 1 0 283.460 2.004 10 0 CEAERO CC(C)CN1C(=O)C[C@@H]([NH3+])[C@@H]1c1cccc(F)c1 ZINC000070294512 519719298 /nfs/dbraw/zinc/71/92/98/519719298.db2.gz VHLRGELFLZZBSW-OCCSQVGLSA-N 1 0 250.317 2.082 10 0 CEAERO CC(C)[NH2+]CCCN1C(=O)CCc2cc(F)ccc21 ZINC000048785148 519720493 /nfs/dbraw/zinc/72/04/93/519720493.db2.gz RSGDESRDXMTRRV-UHFFFAOYSA-N 1 0 264.344 2.493 10 0 CEAERO CC(C)[NH2+]CCCN1C(=O)NC2(CCCCCCC2)C1=O ZINC000048784674 519720506 /nfs/dbraw/zinc/72/05/06/519720506.db2.gz CYSXBXKPDIMSNG-UHFFFAOYSA-N 1 0 295.427 2.409 10 0 CEAERO CC(C)[NH2+]CCS(=O)(=O)Nc1cccc2c1CCCC2 ZINC000049640752 519722362 /nfs/dbraw/zinc/72/23/62/519722362.db2.gz ZPSTUUKRSAVONW-UHFFFAOYSA-N 1 0 296.436 2.305 10 0 CEAERO CC(C)[NH2+]C[C@@H](C)OCc1ccc2c(c1)OCO2 ZINC000052624922 519723241 /nfs/dbraw/zinc/72/32/41/519723241.db2.gz SPMLZQPOUJAEBR-LLVKDONJSA-N 1 0 251.326 2.318 10 0 CEAERO CC(C)[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000063138726 519723399 /nfs/dbraw/zinc/72/33/99/519723399.db2.gz NJYSUEIABOLEIX-AWEZNQCLSA-N 1 0 296.436 2.085 10 0 CEAERO CC(C)[NH2+]Cc1nnnn1[C@@H]1CCCc2ccccc21 ZINC000054746448 519729832 /nfs/dbraw/zinc/72/98/32/519729832.db2.gz FNFRSAYVXHDHCC-CQSZACIVSA-N 1 0 271.368 2.097 10 0 CEAERO CC(C)[NH2+]Cc1nnnn1[C@H](C)c1ccc(Cl)cc1 ZINC000054747660 519730270 /nfs/dbraw/zinc/73/02/70/519730270.db2.gz SEHSNVGYIUWTDN-SNVBAGLBSA-N 1 0 279.775 2.434 10 0 CEAERO CC(C)N[C@](C)(C[C@H](C)[NH+]1CCCCCCC1)C(N)=O ZINC000068617404 519740365 /nfs/dbraw/zinc/74/03/65/519740365.db2.gz XYQVDSRUJOLPIN-GOEBONIOSA-N 1 0 283.460 2.273 10 0 CEAERO CC(C)[NH2+][C@](COCC1CCCCC1)(C(N)=O)C1CC1 ZINC000069198426 519740733 /nfs/dbraw/zinc/74/07/33/519740733.db2.gz PCXWWPCXFZWYAX-INIZCTEOSA-N 1 0 282.428 2.215 10 0 CEAERO CC(C)C[NH2+]CC[C@@H](C)N1CCN(c2ccccn2)CC1 ZINC000052418637 519744079 /nfs/dbraw/zinc/74/40/79/519744079.db2.gz MTSUDVCUHMRFQI-MRXNPFEDSA-N 1 0 290.455 2.228 10 0 CEAERO CC(C)C[NH2+]C[C@@H](C)Cc1nnnn1-c1ccccc1 ZINC000052967491 519744571 /nfs/dbraw/zinc/74/45/71/519744571.db2.gz YQQMTHRAMYJRTB-ZDUSSCGKSA-N 1 0 273.384 2.087 10 0 CEAERO CC(C)C[NH2+]C[C@@H](C)CN1CCN(c2ccccn2)CC1 ZINC000052418581 519744581 /nfs/dbraw/zinc/74/45/81/519744581.db2.gz LXQVVVARQLEAIM-MRXNPFEDSA-N 1 0 290.455 2.085 10 0 CEAERO CC(C)C[NH2+]Cc1cc(COCC(F)(F)F)on1 ZINC000052601541 519746829 /nfs/dbraw/zinc/74/68/29/519746829.db2.gz CIHLALLCVYWSHH-UHFFFAOYSA-N 1 0 266.263 2.499 10 0 CEAERO CC(C)C[NH2+]Cc1cnc(N2CCN(C3CC3)CC2)s1 ZINC000054909502 519748448 /nfs/dbraw/zinc/74/84/48/519748448.db2.gz YHOWRSLHMLKPJV-UHFFFAOYSA-N 1 0 294.468 2.173 10 0 CEAERO CC(C)C[NH2+]Cc1cnn(C[C@@H]2CCCCO2)c1 ZINC000054720327 519748537 /nfs/dbraw/zinc/74/85/37/519748537.db2.gz CJIHAWJEWZQTGX-AWEZNQCLSA-N 1 0 251.374 2.198 10 0 CEAERO CC(C)C[NH2+][C@H](C(N)=O)c1cccc2cccnc21 ZINC000069503101 519749815 /nfs/dbraw/zinc/74/98/15/519749815.db2.gz SMDVGNGHNJVLHB-AWEZNQCLSA-N 1 0 257.337 2.007 10 0 CEAERO CC(=O)Nc1ccccc1OCC[C@@H]1CCC[NH2+]C1 ZINC000051920070 519751131 /nfs/dbraw/zinc/75/11/31/519751131.db2.gz IQZSJJRMGIELQT-ZDUSSCGKSA-N 1 0 262.353 2.414 10 0 CEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(N)ccc1F ZINC000049550967 519775532 /nfs/dbraw/zinc/77/55/32/519775532.db2.gz JGFGJQBXIOYUON-LBPRGKRZSA-N 1 0 281.375 2.114 10 0 CEAERO CC(C)C[C@@H](CN(C)C)[NH2+][C@H](C)C(=O)N1CCCCCC1 ZINC000049555902 519775980 /nfs/dbraw/zinc/77/59/80/519775980.db2.gz ZSJZOIJEOSDLLV-CVEARBPZSA-N 1 0 297.487 2.343 10 0 CEAERO CC(C)Oc1ccc([C@@H]([NH3+])CN2CCCOCC2)cc1 ZINC000061917712 519781607 /nfs/dbraw/zinc/78/16/07/519781607.db2.gz NSJMODBQDUCYEL-INIZCTEOSA-N 1 0 278.396 2.196 10 0 CEAERO CC(C)Oc1cccc(C(=O)NC[C@@H]2CCCC[NH2+]2)c1 ZINC000061666085 519782451 /nfs/dbraw/zinc/78/24/51/519782451.db2.gz JEAOYUHLCVNQSA-AWEZNQCLSA-N 1 0 276.380 2.346 10 0 CEAERO CC(C)Oc1ccccc1NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000163919190 519784764 /nfs/dbraw/zinc/78/47/64/519784764.db2.gz WQVHKELSEWUJKX-LLVKDONJSA-N 1 0 262.353 2.268 10 0 CEAERO CC(C)[C@@H]1CN(Cc2cn3ccccc3n2)[C@@H](C)C[NH2+]1 ZINC000068694972 519804721 /nfs/dbraw/zinc/80/47/21/519804721.db2.gz RLLXJFWGQWXCGV-ZFWWWQNUSA-N 1 0 272.396 2.153 10 0 CEAERO CC(C)[C@H]1CCC(=O)[C@H](C[N@H+](CCO)C(C)C)C1 ZINC000054559342 519824494 /nfs/dbraw/zinc/82/44/94/519824494.db2.gz SHYGHGZYTHJPLV-KBPBESRZSA-N 1 0 255.402 2.331 10 0 CEAERO CCCNC(=O)COc1ccc(Cl)cc1[C@@H](C)[NH3+] ZINC000050209124 519881268 /nfs/dbraw/zinc/88/12/68/519881268.db2.gz WBEJSZPZYLPFCJ-SECBINFHSA-N 1 0 270.760 2.265 10 0 CEAERO CCCC1(C(=O)N(CC)CC2CC2)CC[NH2+]CC1 ZINC000069238267 519887254 /nfs/dbraw/zinc/88/72/54/519887254.db2.gz KUUWBYUOSKYYGZ-UHFFFAOYSA-N 1 0 252.402 2.415 10 0 CEAERO CCCNC(=O)[C@H](C)Oc1cc(F)ccc1[C@H](C)[NH3+] ZINC000062745689 519893687 /nfs/dbraw/zinc/89/36/87/519893687.db2.gz HYXIUJUWAKCESG-UWVGGRQHSA-N 1 0 268.332 2.139 10 0 CEAERO CCCC1CCC([NH2+][C@@H]2CC(=O)N(CC)C2=O)CC1 ZINC000049543829 519899428 /nfs/dbraw/zinc/89/94/28/519899428.db2.gz XELZQQALLZBQJG-WXRRBKDZSA-N 1 0 266.385 2.082 10 0 CEAERO CCCNC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]CC)c1 ZINC000061270264 519903086 /nfs/dbraw/zinc/90/30/86/519903086.db2.gz OAKQXCLKPLGASO-GFCCVEGCSA-N 1 0 291.395 2.153 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N(Cc1cccnc1)C(C)C ZINC000061296340 519903874 /nfs/dbraw/zinc/90/38/74/519903874.db2.gz FPWGGQSMSBLTJF-UHFFFAOYSA-N 1 0 263.385 2.207 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1cccc(C(=O)OCC)c1 ZINC000061298842 519907149 /nfs/dbraw/zinc/90/71/49/519907149.db2.gz ZPMDJRAVRMHNJH-UHFFFAOYSA-N 1 0 278.352 2.190 10 0 CEAERO CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C[C@@H]1CCOC1 ZINC000061148370 519908097 /nfs/dbraw/zinc/90/80/97/519908097.db2.gz VWLMPUYSRKRBKK-HNSVSWJLSA-N 1 0 266.429 2.408 10 0 CEAERO CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccnc(C)n1 ZINC000054628763 519908604 /nfs/dbraw/zinc/90/86/04/519908604.db2.gz MWRXWZOKPJIUHS-MQVJKMGUSA-N 1 0 274.412 2.280 10 0 CEAERO CCC[NH2+]CCCc1c(C)nc(COC)nc1C ZINC000054837685 519914133 /nfs/dbraw/zinc/91/41/33/519914133.db2.gz KWABIOHRDSBOBS-UHFFFAOYSA-N 1 0 251.374 2.172 10 0 CEAERO CCN(C(=O)CN1[C@H](C)CCC[C@@H]1C[NH3+])C1=CCCCC1 ZINC000070154979 519915240 /nfs/dbraw/zinc/91/52/40/519915240.db2.gz HVXRMELIQUCAJF-GDBMZVCRSA-N 1 0 293.455 2.495 10 0 CEAERO CC[NH2+]CCC(=O)N[C@@H](C)c1cc(F)ccc1OC ZINC000061292819 519916883 /nfs/dbraw/zinc/91/68/83/519916883.db2.gz OKSNOKRLUXCYLS-JTQLQIEISA-N 1 0 268.332 2.011 10 0 CEAERO CCC[NH2+]CCc1c(C)nc(CSC)nc1C ZINC000054853735 519919654 /nfs/dbraw/zinc/91/96/54/519919654.db2.gz LQEAYXMDIAMZMH-UHFFFAOYSA-N 1 0 253.415 2.499 10 0 CEAERO CCC[NH2+]C[C@@H](C)[C@H]1CS(=O)(=O)c2ccccc21 ZINC000052965735 519921290 /nfs/dbraw/zinc/92/12/90/519921290.db2.gz FBFKCWIBVSLXLE-DGCLKSJQSA-N 1 0 267.394 2.193 10 0 CEAERO CC[NH2+]CCNc1ncnc2sc(C)c(C)c21 ZINC000054267254 519923189 /nfs/dbraw/zinc/92/31/89/519923189.db2.gz MSWDAUMRQSDUOC-UHFFFAOYSA-N 1 0 250.371 2.330 10 0 CEAERO CCC[NH2+]C[C@@H]1CC[C@H](CN(C)CC(F)(F)F)O1 ZINC000052483386 519925639 /nfs/dbraw/zinc/92/56/39/519925639.db2.gz BSCGIUMYGWRNQV-WDEREUQCSA-N 1 0 268.323 2.028 10 0 CEAERO CC[NH2+]CC[C@H](C)N1CCc2cc(OC)c(OC)cc2C1 ZINC000052417248 519927840 /nfs/dbraw/zinc/92/78/40/519927840.db2.gz OHQVSPKQFCREKH-ZDUSSCGKSA-N 1 0 292.423 2.450 10 0 CEAERO CCC[NH2+]C[C@H](C)[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000052965733 519931868 /nfs/dbraw/zinc/93/18/68/519931868.db2.gz FBFKCWIBVSLXLE-AAEUAGOBSA-N 1 0 267.394 2.193 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N(C)Cc1sccc1C ZINC000061235943 519931872 /nfs/dbraw/zinc/93/18/72/519931872.db2.gz KRAVGMSOZCRXJW-LLVKDONJSA-N 1 0 254.399 2.261 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000061266142 519937575 /nfs/dbraw/zinc/93/75/75/519937575.db2.gz VLSJYHYMADUREF-NEPJUHHUSA-N 1 0 291.395 2.068 10 0 CEAERO CCC[NH2+]C[C@H]1OCCN(C)[C@@H]1c1cccc(F)c1F ZINC000070285921 519939964 /nfs/dbraw/zinc/93/99/64/519939964.db2.gz ZUDZIBGRZLTZDE-UKRRQHHQSA-N 1 0 284.350 2.336 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccc(C)c(NC(C)=O)c1 ZINC000061234087 519939990 /nfs/dbraw/zinc/93/99/90/519939990.db2.gz JLODNUPYLVJNIW-LLVKDONJSA-N 1 0 277.368 2.138 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccc(NC(C)=O)c(Cl)c1 ZINC000061231653 519940069 /nfs/dbraw/zinc/94/00/69/519940069.db2.gz CDCFAMDDBGUYCL-SECBINFHSA-N 1 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ZINC000061273912 520069341 /nfs/dbraw/zinc/06/93/41/520069341.db2.gz GTZIEYCBCVWXIG-NSHDSACASA-N 1 0 278.352 2.190 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1cccc(COCCOC)c1 ZINC000061271516 520071211 /nfs/dbraw/zinc/07/12/11/520071211.db2.gz YECZOUCXOHDHSR-ZDUSSCGKSA-N 1 0 294.395 2.176 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(F)cc1O[C@@H]1CCOC1=O ZINC000062746956 520076167 /nfs/dbraw/zinc/07/61/67/520076167.db2.gz DWWJODCXDSYCNB-JOYOIKCWSA-N 1 0 267.300 2.191 10 0 CEAERO CCCN[C@H](CC[N@H+]1[C@H](C)CCC[C@@H]1C)C(=O)OC ZINC000062443592 520077261 /nfs/dbraw/zinc/07/72/61/520077261.db2.gz PJPSWAZDKIQZRV-HZSPNIEDSA-N 1 0 270.417 2.181 10 0 CEAERO CCC[NH2+][C@H](c1cc(F)ccc1OC)[C@@H]1COCCO1 ZINC000055300668 520088739 /nfs/dbraw/zinc/08/87/39/520088739.db2.gz QJTSALDWMUBGHL-LSDHHAIUSA-N 1 0 283.343 2.290 10 0 CEAERO CCC[NH2+][C@H]1CCC[C@@H]1N1CCN(CC(F)(F)F)CC1 ZINC000061941272 520093094 /nfs/dbraw/zinc/09/30/94/520093094.db2.gz WDATWDQJFKTTHB-STQMWFEESA-N 1 0 293.377 2.087 10 0 CEAERO CC[NH2+][C@@H](CCSc1ccc(Cl)cc1)C(N)=O ZINC000062597830 520094128 /nfs/dbraw/zinc/09/41/28/520094128.db2.gz SWUVDAXAFQUMPD-NSHDSACASA-N 1 0 272.801 2.286 10 0 CEAERO CCC[NH2+][C@H]1CCN([C@@H](C)Cc2ccc(F)cc2)C1=O ZINC000062053596 520094414 /nfs/dbraw/zinc/09/44/14/520094414.db2.gz VTNVVECXZSXONN-WFASDCNBSA-N 1 0 278.371 2.357 10 0 CEAERO CCC[NH2+][C@H]1CCOC[C@@H]1Oc1cc(OC)cc(OC)c1 ZINC000068967121 520096521 /nfs/dbraw/zinc/09/65/21/520096521.db2.gz ACHHYIJEHPEJMI-HOTGVXAUSA-N 1 0 295.379 2.240 10 0 CEAERO CCC[NH2+][C@H]1COc2cc(OCc3ncon3)ccc21 ZINC000062805058 520098108 /nfs/dbraw/zinc/09/81/08/520098108.db2.gz IXWBCPBWXUZVRZ-LBPRGKRZSA-N 1 0 275.308 2.082 10 0 CEAERO CCCCCCOC[C@H](O)C[NH2+][C@@H](CN(C)C)C(C)C ZINC000049204347 520100530 /nfs/dbraw/zinc/10/05/30/520100530.db2.gz YMTVWFUQNGUOHB-CVEARBPZSA-N 1 0 288.476 2.120 10 0 CEAERO CC[NH2+][C@@H](CS(C)(=O)=O)c1c(C)cc(C)cc1C ZINC000054930414 520101433 /nfs/dbraw/zinc/10/14/33/520101433.db2.gz OUVUXGBTRCYJGI-ZDUSSCGKSA-N 1 0 269.410 2.307 10 0 CEAERO CC[NH2+][C@@H](CS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000052789147 520102650 /nfs/dbraw/zinc/10/26/50/520102650.db2.gz QCHLVACFLSFUCS-NSHDSACASA-N 1 0 261.774 2.035 10 0 CEAERO CCC[NH2+][C@](C)(C[C@@H](C)Oc1ccc(OC)cc1)C(N)=O ZINC000068656844 520111972 /nfs/dbraw/zinc/11/19/72/520111972.db2.gz HTOLUUQAHFQYEP-MLGOLLRUSA-N 1 0 294.395 2.096 10 0 CEAERO CC[NH2+][C@@H](c1ccc2c(c1)NC(=O)CO2)[C@H]1CCCCO1 ZINC000050962255 520112166 /nfs/dbraw/zinc/11/21/66/520112166.db2.gz CPTJJHCBMRGFEQ-ZBFHGGJFSA-N 1 0 290.363 2.237 10 0 CEAERO CC[NH2+][C@@H](c1ccnn1C)c1ccc(OC)c(OC)c1 ZINC000069467153 520114100 /nfs/dbraw/zinc/11/41/00/520114100.db2.gz ZPKSAFIKGFDSRE-OAHLLOKOSA-N 1 0 275.352 2.136 10 0 CEAERO CCCN[C@](C[N@H+](C)C1CCC(C)CC1)(C(N)=O)C1CC1 ZINC000069146454 520116884 /nfs/dbraw/zinc/11/68/84/520116884.db2.gz GMEJKRRZWZPFCO-PGEKIEPBSA-N 1 0 295.471 2.131 10 0 CEAERO CCCN[C@](C[N@H+](C)CC(C)C)(C(=O)OCC)C1CC1 ZINC000069096595 520117449 /nfs/dbraw/zinc/11/74/49/520117449.db2.gz 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/nfs/dbraw/zinc/12/98/98/520129898.db2.gz OTHVFLKNCUTYPP-UHFFFAOYSA-N 1 0 292.427 2.317 10 0 CEAERO CCN[C@@](C)(C[C@@H](C)[N@H+](C)CC1CCC1)C(=O)OCC ZINC000068642745 520136231 /nfs/dbraw/zinc/13/62/31/520136231.db2.gz SNHXOGPICLKUDF-CJNGLKHVSA-N 1 0 284.444 2.428 10 0 CEAERO CC[NH2+][C@@](C)(C[C@@H](C)Oc1ccc(C)cc1OC)C(N)=O ZINC000068657120 520142565 /nfs/dbraw/zinc/14/25/65/520142565.db2.gz UMZZEHJUVXKWTE-WBMJQRKESA-N 1 0 294.395 2.015 10 0 CEAERO CC[NH2+][C@@](COc1c(C)ccc(C)c1C)(C(N)=O)C1CC1 ZINC000069197931 520157093 /nfs/dbraw/zinc/15/70/93/520157093.db2.gz USNPDFOZXHIKHL-QGZVFWFLSA-N 1 0 290.407 2.234 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000061268802 520164350 /nfs/dbraw/zinc/16/43/50/520164350.db2.gz DCJKTDVTMYBLLQ-UWJCENJNSA-N 1 0 264.413 2.460 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N[C@@H](C)Cc1cccs1 ZINC000061270623 520167431 /nfs/dbraw/zinc/16/74/31/520167431.db2.gz OYFVFMBCVJUOPZ-MNOVXSKESA-N 1 0 254.399 2.183 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1cc(C(=O)OC)ccc1Cl ZINC000061270797 520168082 /nfs/dbraw/zinc/16/80/82/520168082.db2.gz BBWZTZZDIJZHPZ-SECBINFHSA-N 1 0 298.770 2.453 10 0 CEAERO CCCNc1ccccc1C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000050772917 520177190 /nfs/dbraw/zinc/17/71/90/520177190.db2.gz VCNVIDIKLSBPDN-ZDUSSCGKSA-N 1 0 275.396 2.333 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(OCCCC(=O)NC)c(OC)c1 ZINC000068816307 520179561 /nfs/dbraw/zinc/17/95/61/520179561.db2.gz XPHAGUYJKOOWBL-GFCCVEGCSA-N 1 0 294.395 2.271 10 0 CEAERO CC[NH2+][C@H](C)c1nnc(-c2cccc(OC)c2OC)o1 ZINC000050618806 520183617 /nfs/dbraw/zinc/18/36/17/520183617.db2.gz ZOXSPWIUXORENY-SECBINFHSA-N 1 0 277.324 2.424 10 0 CEAERO CCN[C@H](CC[NH+]1CCCCCCC1)C(=O)OCC ZINC000062438732 520189012 /nfs/dbraw/zinc/18/90/12/520189012.db2.gz CGUISPFTXPYKJK-CQSZACIVSA-N 1 0 270.417 2.184 10 0 CEAERO CCCNc1ncccc1C[N@@H+]1CCCC[C@@H]1CO ZINC000052729433 520196289 /nfs/dbraw/zinc/19/62/89/520196289.db2.gz JZXXGRSFPRUOBH-CQSZACIVSA-N 1 0 263.385 2.250 10 0 CEAERO CC/C=C/CC[NH+]1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000184523424 520197752 /nfs/dbraw/zinc/19/77/52/520197752.db2.gz PNYDEKQWWBIINU-GFUIURDCSA-N 1 0 278.400 2.413 10 0 CEAERO CC[NH2+][C@H](c1ccc(OC)c(OC)c1)[C@H]1CCOC1 ZINC000048624459 520208740 /nfs/dbraw/zinc/20/87/40/520208740.db2.gz LYPFNAIJBSGSHU-SWLSCSKDSA-N 1 0 265.353 2.391 10 0 CEAERO CCCCCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)CSC ZINC000069447758 520209272 /nfs/dbraw/zinc/20/92/72/520209272.db2.gz POKSGQXCRZWVPD-VXGBXAGGSA-N 1 0 260.447 2.270 10 0 CEAERO CC[NH2+][C@H](c1ccc2c(c1)CCCO2)[C@@H]1COCCO1 ZINC000055301017 520209616 /nfs/dbraw/zinc/20/96/16/520209616.db2.gz WDFIWFHPSIDVMA-JKSUJKDBSA-N 1 0 277.364 2.078 10 0 CEAERO CC[NH2+][C@H](c1ccc2c(c1)CCC(=O)N2C)[C@@H]1CCCO1 ZINC000062806658 520210286 /nfs/dbraw/zinc/21/02/86/520210286.db2.gz CQBWMBNTXCDTIS-DOTOQJQBSA-N 1 0 288.391 2.425 10 0 CEAERO CC[NH2+][C@H](c1ccccc1)[C@@H](CC)S(C)(=O)=O ZINC000054930459 520210460 /nfs/dbraw/zinc/21/04/60/520210460.db2.gz OGFOVIKVKPADNO-CHWSQXEVSA-N 1 0 255.383 2.160 10 0 CEAERO CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1CCCS(C)(=O)=O ZINC000063015880 520220148 /nfs/dbraw/zinc/22/01/48/520220148.db2.gz XMQBZWTVODPSSR-AVGNSLFASA-N 1 0 261.431 2.226 10 0 CEAERO CC[NH2+][C@H]1COc2cc(OCCn3ccnc3C)ccc21 ZINC000062804562 520220872 /nfs/dbraw/zinc/22/08/72/520220872.db2.gz ZFNUFXIBXHMYPW-HNNXBMFYSA-N 1 0 287.363 2.314 10 0 CEAERO CC[NH2+][C@](C)(C[C@@H](C)Oc1cc(C)ccc1C)C(N)=O ZINC000068655936 520235164 /nfs/dbraw/zinc/23/51/64/520235164.db2.gz HAAGUDBMKAIQSA-CZUORRHYSA-N 1 0 278.396 2.314 10 0 CEAERO CCN[C@](C)(C[C@@H](C)[N@H+](CC(C)C)C1CC1)C(=O)OC ZINC000068632928 520235983 /nfs/dbraw/zinc/23/59/83/520235983.db2.gz WDAZLIIKSKSLTE-CZUORRHYSA-N 1 0 284.444 2.427 10 0 CEAERO CC[NH2+][C@](C)(C[C@H](C)Oc1ccccc1OCC)C(N)=O ZINC000068655395 520242139 /nfs/dbraw/zinc/24/21/39/520242139.db2.gz HVMKCLHPHXUZKQ-BLLLJJGKSA-N 1 0 294.395 2.096 10 0 CEAERO CCN[C@](C[N@H+](C)C1CCC(C)CC1)(C(=O)OC)C1CC1 ZINC000069146440 520242454 /nfs/dbraw/zinc/24/24/54/520242454.db2.gz CFJPNEKHHQEERO-PGEKIEPBSA-N 1 0 296.455 2.428 10 0 CEAERO CC[NH2+][C@](CSc1cccc(C)c1)(C(N)=O)C1CC1 ZINC000069188608 520253623 /nfs/dbraw/zinc/25/36/23/520253623.db2.gz DDPTYLAFLPSPQV-HNNXBMFYSA-N 1 0 278.421 2.331 10 0 CEAERO CCNc1cc(C(=O)N2CC[NH+]([C@@H](C)CC)CC2)ccn1 ZINC000055085292 520260012 /nfs/dbraw/zinc/26/00/12/520260012.db2.gz PGQBXTQZTZZZGT-ZDUSSCGKSA-N 1 0 290.411 2.070 10 0 CEAERO CCNc1cc(C[N@@H+]2CCCC[C@@H]2CCO)ccn1 ZINC000052717200 520272116 /nfs/dbraw/zinc/27/21/16/520272116.db2.gz LBFYKUGFIDZFDD-CQSZACIVSA-N 1 0 263.385 2.250 10 0 CEAERO CCNc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC)cc1 ZINC000050743464 520289545 /nfs/dbraw/zinc/28/95/45/520289545.db2.gz IFZXZWQWDQHRRK-OAHLLOKOSA-N 1 0 275.396 2.333 10 0 CEAERO CCNc1ccc(C(=O)N[C@H](C)C[NH+]2CCCCC2)cn1 ZINC000050791192 520292836 /nfs/dbraw/zinc/29/28/36/520292836.db2.gz RFLYXCOYXJALBR-CYBMUJFWSA-N 1 0 290.411 2.118 10 0 CEAERO CCCOc1c(OC)cc(C[NH2+]CCOC)cc1OC ZINC000062732846 520296378 /nfs/dbraw/zinc/29/63/78/520296378.db2.gz WWIOGDRGMIGXEI-UHFFFAOYSA-N 1 0 283.368 2.229 10 0 CEAERO CC1(C)CCCN(S(=O)(=O)Cc2ccc(C[NH3+])cc2)C1 ZINC000070259469 520330073 /nfs/dbraw/zinc/33/00/73/520330073.db2.gz OHZCLLPGGSORPQ-UHFFFAOYSA-N 1 0 296.436 2.097 10 0 CEAERO CCN(CC(=O)NC)c1ccc(F)cc1C[NH2+]C(C)(C)C ZINC000062737278 520330501 /nfs/dbraw/zinc/33/05/01/520330501.db2.gz NQLWYFAYSQWZEC-UHFFFAOYSA-N 1 0 295.402 2.286 10 0 CEAERO CCN(CC(F)(F)F)C(=O)C1CCC(C[NH3+])CC1 ZINC000055162117 520414117 /nfs/dbraw/zinc/41/41/17/520414117.db2.gz WZOZXIFLYXEHMD-UHFFFAOYSA-N 1 0 266.307 2.162 10 0 CEAERO CCN(CC)C(=O)CC[NH2+][C@@H](C)Cc1ccco1 ZINC000062771721 520466975 /nfs/dbraw/zinc/46/69/75/520466975.db2.gz KPLJIPYXCFUERK-LBPRGKRZSA-N 1 0 252.358 2.059 10 0 CEAERO CCCOc1ccccc1O[C@@H](C)C[C@@](C)([NH2+]C)C(N)=O ZINC000068653983 520485481 /nfs/dbraw/zinc/48/54/81/520485481.db2.gz IYWUTPBLMKVOAA-BLLLJJGKSA-N 1 0 294.395 2.096 10 0 CEAERO CCCOc1ccccc1OC[C@H]1CC[C@@H](C[NH3+])O1 ZINC000052649949 520486510 /nfs/dbraw/zinc/48/65/10/520486510.db2.gz IUKJFZOCABNQPL-QWHCGFSZSA-N 1 0 265.353 2.361 10 0 CEAERO CC1(C)CN([C@@H](C[NH3+])c2cc(F)c(F)c(F)c2)CCO1 ZINC000062710093 520492504 /nfs/dbraw/zinc/49/25/04/520492504.db2.gz TZSMYTOHVIXZCE-LBPRGKRZSA-N 1 0 288.313 2.215 10 0 CEAERO CCO[C@H](C[NH3+])CSc1nc2cc(OC)ccc2[nH]1 ZINC000062740601 520518896 /nfs/dbraw/zinc/51/88/96/520518896.db2.gz ATPFTYGKBIDYRY-SNVBAGLBSA-N 1 0 281.381 2.027 10 0 CEAERO CCO[C@H](C[NH3+])COc1cccc(Br)c1 ZINC000062740425 520519934 /nfs/dbraw/zinc/51/99/34/520519934.db2.gz FSALGRSFKDOKAA-LLVKDONJSA-N 1 0 274.158 2.192 10 0 CEAERO CCOC(=O)CC(=O)C[N@H+](C)C1CCC(CC)CC1 ZINC000068813860 520588056 /nfs/dbraw/zinc/58/80/56/520588056.db2.gz KPTLPIAWFOAVDG-UHFFFAOYSA-N 1 0 269.385 2.409 10 0 CEAERO CCOC(=O)CC[C@H]([NH3+])Cc1ccc(O)c(OCC)c1 ZINC000069606060 520714147 /nfs/dbraw/zinc/71/41/47/520714147.db2.gz VERCTYKGXPNMNW-LBPRGKRZSA-N 1 0 281.352 2.004 10 0 CEAERO CC[NH+](CC)C[C@@H](O)CN[C@H]1CCCc2sccc21 ZINC000061362251 520723138 /nfs/dbraw/zinc/72/31/38/520723138.db2.gz VBXVYHCYIBFXHH-JSGCOSHPSA-N 1 0 282.453 2.418 10 0 CEAERO CC[NH+](CC)C[C@H](C)NC(=O)c1nc(NC)ccc1Cl ZINC000050780611 520733681 /nfs/dbraw/zinc/73/36/81/520733681.db2.gz WLCJXEAUNROXIE-JTQLQIEISA-N 1 0 298.818 2.237 10 0 CEAERO CC[NH+](CC)C[C@H](C)N[C@@H]1COc2cc(O)ccc21 ZINC000045691008 520736124 /nfs/dbraw/zinc/73/61/24/520736124.db2.gz WIUDQVRJVKVIDG-SMDDNHRTSA-N 1 0 264.369 2.146 10 0 CEAERO CCOc1cc2c(cc1[C@@H](O)C[NH2+]C(C)C)O[C@H](C)C2 ZINC000055028693 520801400 /nfs/dbraw/zinc/80/14/00/520801400.db2.gz UKDIZANBBRZEOE-RISCZKNCSA-N 1 0 279.380 2.440 10 0 CEAERO CCC[C@@H]1CN(Cc2ncccn2)C2(CCCC2)C[NH2+]1 ZINC000068702233 520840599 /nfs/dbraw/zinc/84/05/99/520840599.db2.gz TXEAZBCITOXPSK-CQSZACIVSA-N 1 0 274.412 2.363 10 0 CEAERO CCC[C@@H]1CN(Cc2cnn(C)c2)[C@H](C(C)(C)C)C[NH2+]1 ZINC000068701315 520840728 /nfs/dbraw/zinc/84/07/28/520840728.db2.gz ZVAMEEIGCUGKAH-CABCVRRESA-N 1 0 278.444 2.409 10 0 CEAERO CCOc1ccc(C(=O)CN2CCC[C@H]2C[NH+](C)C)cc1 ZINC000061645667 520886962 /nfs/dbraw/zinc/88/69/62/520886962.db2.gz SEYNKVBWIDOGNR-HNNXBMFYSA-N 1 0 290.407 2.294 10 0 CEAERO CC1CCC(N(C)CC[NH2+]C2CCOCC2)CC1 ZINC000062767862 520935576 /nfs/dbraw/zinc/93/55/76/520935576.db2.gz UZUBHPYNOIBPKV-UHFFFAOYSA-N 1 0 254.418 2.266 10 0 CEAERO CCC[C@@]1(C(=O)Nc2cccc(C(=O)OC)c2)CC[NH2+]C1 ZINC000062900779 520944160 /nfs/dbraw/zinc/94/41/60/520944160.db2.gz TXFQHLYDQXHIRO-MRXNPFEDSA-N 1 0 290.363 2.192 10 0 CEAERO CCCC[C@@H](C)NS(=O)(=O)c1ccccc1C[NH3+] ZINC000050888233 521009113 /nfs/dbraw/zinc/00/91/13/521009113.db2.gz BOPMGVVNMZPKBB-LLVKDONJSA-N 1 0 270.398 2.002 10 0 CEAERO CCCC[C@@H](C)[NH2+][C@@H]1CC(=O)N([C@@H](C)CC)C1=O ZINC000050887999 521011700 /nfs/dbraw/zinc/01/17/00/521011700.db2.gz FKFPNHRDNAEJKG-GRYCIOLGSA-N 1 0 254.374 2.081 10 0 CEAERO CCCC[C@@H](CC)C[C@@]1(C[NH3+])CCS(=O)(=O)C1 ZINC000054635229 521037197 /nfs/dbraw/zinc/03/71/97/521037197.db2.gz NQUBMNKMVMYKGT-CHWSQXEVSA-N 1 0 261.431 2.357 10 0 CEAERO CCOC(=O)[C@@H](CC[N@H+](C)[C@@H]1CCCC[C@@H]1C)NC ZINC000062522487 521058298 /nfs/dbraw/zinc/05/82/98/521058298.db2.gz WQBARQHIELZGQM-BFHYXJOUSA-N 1 0 270.417 2.038 10 0 CEAERO CCN(CC[NH2+]CCCOC)c1ccc(F)cc1 ZINC000053426734 521075065 /nfs/dbraw/zinc/07/50/65/521075065.db2.gz PWBQMDRODYMHGF-UHFFFAOYSA-N 1 0 254.349 2.278 10 0 CEAERO CCOC(=O)[C@@](C[NH+]1CCC(C)(C)CC1)(NC)C1CC1 ZINC000069232053 521166074 /nfs/dbraw/zinc/16/60/74/521166074.db2.gz JBJCWGMTEUVHFD-INIZCTEOSA-N 1 0 282.428 2.040 10 0 CEAERO CCOC(=O)[C@H](C)C[NH2+][C@@H](C)Cc1ccsc1 ZINC000049849751 521189273 /nfs/dbraw/zinc/18/92/73/521189273.db2.gz ZFYBKVORZPIELQ-MNOVXSKESA-N 1 0 255.383 2.468 10 0 CEAERO CCOC(=O)[C@H](C)NC(=O)Nc1cccc([C@H](C)[NH2+]C)c1 ZINC000049495653 521202077 /nfs/dbraw/zinc/20/20/77/521202077.db2.gz DQOAOHIJGLHBTB-QWRGUYRKSA-N 1 0 293.367 2.040 10 0 CEAERO CCCC[C@H]([NH3+])C(=O)Nc1ccccc1[C@@H](C)O ZINC000049547478 521215381 /nfs/dbraw/zinc/21/53/81/521215381.db2.gz XOVMPUIWPKVCQP-PWSUYJOCSA-N 1 0 250.342 2.196 10 0 CEAERO CCOC(=O)[C@H](C)Oc1cc(F)ccc1[C@@H](C)[NH2+]C ZINC000062746177 521216914 /nfs/dbraw/zinc/21/69/14/521216914.db2.gz RKWQTFITWSFCHS-ZJUUUORDSA-N 1 0 269.316 2.437 10 0 CEAERO CCC[C@H]1CN(CCn2cccn2)[C@H](C(C)(C)C)C[NH2+]1 ZINC000068701218 521220165 /nfs/dbraw/zinc/22/01/65/521220165.db2.gz HXXYYMDZDSCQMQ-GJZGRUSLSA-N 1 0 278.444 2.372 10 0 CEAERO CCC[C@H]1CN(CCn2cccn2)[C@H]([C@@H](C)CC)C[NH2+]1 ZINC000068700867 521220566 /nfs/dbraw/zinc/22/05/66/521220566.db2.gz DSABOQPHADPCSF-JYJNAYRXSA-N 1 0 278.444 2.372 10 0 CEAERO CCCC[C@](CC)(NCC[NH+](C)C)C(=O)OCC ZINC000069382024 521255118 /nfs/dbraw/zinc/25/51/18/521255118.db2.gz RUJZUNYFTSQIRB-AWEZNQCLSA-N 1 0 258.406 2.040 10 0 CEAERO CCOc1ccc([C@H](CN2CCCOCC2)[NH2+]C)cc1 ZINC000061917933 521261908 /nfs/dbraw/zinc/26/19/08/521261908.db2.gz OCRWXGBDNIFNKH-INIZCTEOSA-N 1 0 278.396 2.068 10 0 CEAERO CCC[C@](C)(CO)CN1CC[NH+](CC(C)C)CC1 ZINC000055082285 521269474 /nfs/dbraw/zinc/26/94/74/521269474.db2.gz QVDDWLWARNCUOT-HNNXBMFYSA-N 1 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/nfs/dbraw/zinc/34/55/30/521345530.db2.gz DCYMGNISIPYQTR-VBQJREDUSA-N 1 0 294.439 2.169 10 0 CEAERO CCC(C)(C)NC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000054442327 521350108 /nfs/dbraw/zinc/35/01/08/521350108.db2.gz DURXZWQBENOJDA-UHFFFAOYSA-N 1 0 263.385 2.331 10 0 CEAERO CCN(Cc1ccncc1)C(=O)[C@@]1(CC)CCC[NH2+]C1 ZINC000062857612 521416187 /nfs/dbraw/zinc/41/61/87/521416187.db2.gz HAEXXPAMWRBXCU-INIZCTEOSA-N 1 0 275.396 2.210 10 0 CEAERO CCOC(=O)c1cc(NCCCC[NH+](C)C)c(F)cc1N ZINC000050033651 521444544 /nfs/dbraw/zinc/44/45/44/521444544.db2.gz LIYRTVSFNOAQEM-UHFFFAOYSA-N 1 0 297.374 2.338 10 0 CEAERO CCN([C@@](C)(CC)C[NH3+])S(=O)(=O)c1ccc(C)cc1C ZINC000050093531 521474301 /nfs/dbraw/zinc/47/43/01/521474301.db2.gz CHNBVLUGMQPLHW-HNNXBMFYSA-N 1 0 298.452 2.441 10 0 CEAERO CCCN(C)c1c(C[NH2+]CC(C)C)c(C)nn1C ZINC000062735298 521514479 /nfs/dbraw/zinc/51/44/79/521514479.db2.gz OFDSHZVDISZHAP-UHFFFAOYSA-N 1 0 252.406 2.320 10 0 CEAERO CCCc1nc(Cn2ccnc2C[NH2+]CC)cs1 ZINC000051004745 521527476 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264.369 2.303 10 0 CEAERO CC[C@H]([NH3+])[C@](O)(c1ccc(OC)cc1OC)C(F)(F)F ZINC000062784701 522347472 /nfs/dbraw/zinc/34/74/72/522347472.db2.gz AUCGZBZJNAZZQR-NWDGAFQWSA-N 1 0 293.285 2.191 10 0 CEAERO C[NH2+][C@@H](CC[C@@H]1CCCCO1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000069390616 522351265 /nfs/dbraw/zinc/35/12/65/522351265.db2.gz WWOBONRBNLHEFC-STQMWFEESA-N 1 0 289.379 2.466 10 0 CEAERO C[NH2+][C@@H](CN1CCN(c2cccc(C)c2)CC1)C1CC1 ZINC000069073724 522354900 /nfs/dbraw/zinc/35/49/00/522354900.db2.gz IYRVQEVGDFLJGW-KRWDZBQOSA-N 1 0 273.424 2.115 10 0 CEAERO CN(C)c1nccc(N2CCC[C@@H](C[NH2+]C(C)(C)C)C2)n1 ZINC000068690254 522362608 /nfs/dbraw/zinc/36/26/08/522362608.db2.gz KMVAWGMZPGPURW-ZDUSSCGKSA-N 1 0 291.443 2.147 10 0 CEAERO C[NH2+][C@@H](c1ccc(Br)s1)[C@@H]1COCCO1 ZINC000055301038 522367315 /nfs/dbraw/zinc/36/73/15/522367315.db2.gz WOVVRBLFDOLCEF-OIBJUYFYSA-N 1 0 292.198 2.187 10 0 CEAERO C[NH2+][C@@H](c1ccc2c(c1)CC(=O)N2)[C@H]1CCCCO1 ZINC000050961586 522368952 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2.044 10 0 CEAERO CN(CC(F)(F)F)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052182047 522577771 /nfs/dbraw/zinc/57/77/71/522577771.db2.gz WLFWWHVXLUYKCW-UHFFFAOYSA-N 1 0 280.334 2.029 10 0 CEAERO CC[C@@H]([NH3+])Cc1c(C)nn(C[C@@H]2CCCCO2)c1C ZINC000054741234 522641543 /nfs/dbraw/zinc/64/15/43/522641543.db2.gz ONVFPCPNVDOVNR-KGLIPLIRSA-N 1 0 265.401 2.349 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc(C)nc(Cc2cccnc2)n1 ZINC000054835599 522643520 /nfs/dbraw/zinc/64/35/20/522643520.db2.gz ADXOFTZUMCWTKA-CYBMUJFWSA-N 1 0 256.353 2.051 10 0 CEAERO CC[C@@H]([NH3+])Cc1nccn1CCOc1ccccc1 ZINC000062803186 522646429 /nfs/dbraw/zinc/64/64/29/522646429.db2.gz FJAQZSSQTGFQAZ-CYBMUJFWSA-N 1 0 259.353 2.242 10 0 CEAERO CC[C@@H]([NH3+])Cc1nccn1CCCOCC(F)(F)F ZINC000062803200 522646452 /nfs/dbraw/zinc/64/64/52/522646452.db2.gz QRWWPTNPCQJYSH-SNVBAGLBSA-N 1 0 279.306 2.132 10 0 CEAERO CCc1nnc(NC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)s1 ZINC000150690213 522764971 /nfs/dbraw/zinc/76/49/71/522764971.db2.gz HSOUJCYZKGXWLN-NXEZZACHSA-N 1 0 282.413 2.065 10 0 CEAERO COc1cc(OC)c(C[NH2+][C@@H]2C[C@@H]2C)c(OC)c1 ZINC000052272853 522796935 /nfs/dbraw/zinc/79/69/35/522796935.db2.gz JREGPJPZLPAAHZ-JOYOIKCWSA-N 1 0 251.326 2.210 10 0 CEAERO CC[C@H](Oc1cc(OC)ccc1C[NH2+]C(C)(C)C)C(N)=O ZINC000062733150 522869546 /nfs/dbraw/zinc/86/95/46/522869546.db2.gz SXVQXRLTMPZMSG-ZDUSSCGKSA-N 1 0 294.395 2.226 10 0 CEAERO CN(CCNc1cccc(F)c1)CC[NH+]1CCCC1 ZINC000063054273 522870630 /nfs/dbraw/zinc/87/06/30/522870630.db2.gz UTZCTLAJWGDGKG-UHFFFAOYSA-N 1 0 265.376 2.265 10 0 CEAERO CC[C@H](Oc1ccc2c(c1)OC(C)(C)C[C@@H]2[NH2+]C)C(N)=O ZINC000061676010 522875792 /nfs/dbraw/zinc/87/57/92/522875792.db2.gz XEXPYFPCFRCOQA-STQMWFEESA-N 1 0 292.379 2.151 10 0 CEAERO COc1cc(OC)cc([C@@H](O)[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000054685633 522877771 /nfs/dbraw/zinc/87/77/71/522877771.db2.gz IGVNKNBZPIWUQC-DLBZAZTESA-N 1 0 287.359 2.307 10 0 CEAERO CC[C@H](Oc1ccc2ccccc2c1C[C@H](C)[NH3+])C(N)=O ZINC000061678409 522878178 /nfs/dbraw/zinc/87/81/78/522878178.db2.gz HVDCSHBMPRBGRY-NHYWBVRUSA-N 1 0 286.375 2.372 10 0 CEAERO COc1cc([C@H]([NH3+])Cc2cnn(C)c2)cc(Cl)c1OC ZINC000050542978 522951419 /nfs/dbraw/zinc/95/14/19/522951419.db2.gz RLVBABRKAYGPKO-GFCCVEGCSA-N 1 0 295.770 2.333 10 0 CEAERO CN(CCc1ccncc1)c1ccccc1C(N)=[NH2+] ZINC000048260118 522981348 /nfs/dbraw/zinc/98/13/48/522981348.db2.gz YSSCHODJWIYSAC-UHFFFAOYSA-N 1 0 254.337 2.045 10 0 CEAERO CCc1oc(C(=O)OC)cc1C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000183156185 523003026 /nfs/dbraw/zinc/00/30/26/523003026.db2.gz PAFPXNSRLSCPEH-ZWNOBZJWSA-N 1 0 281.352 2.286 10 0 CEAERO CC[C@@H](Oc1ccc(C[NH2+]C(C)(C)C)cc1)C(N)=O ZINC000062728830 523039531 /nfs/dbraw/zinc/03/95/31/523039531.db2.gz XQOWQSSSOWDSTQ-CYBMUJFWSA-N 1 0 264.369 2.217 10 0 CEAERO CCn1c(=O)[nH]nc1Sc1ccccc1[C@H](C)[NH2+]C ZINC000061595868 523095886 /nfs/dbraw/zinc/09/58/86/523095886.db2.gz BSUACXAVGDDBNC-VIFPVBQESA-N 1 0 278.381 2.023 10 0 CEAERO COC(=O)CCOc1ccc(C[NH3+])cc1C(F)(F)F ZINC000069317716 523105592 /nfs/dbraw/zinc/10/55/92/523105592.db2.gz ALIKCUQUPIYPSX-UHFFFAOYSA-N 1 0 277.242 2.106 10 0 CEAERO COC(=O)CC[C@@H]([NH3+])Cc1ccc2ncccc2c1 ZINC000069501986 523112245 /nfs/dbraw/zinc/11/22/45/523112245.db2.gz YJJXCVXKAZUNAX-CYBMUJFWSA-N 1 0 258.321 2.058 10 0 CEAERO CN(Cc1cc2ccccc2nc1N)C1CC[NH+](C)CC1 ZINC000050792767 523184069 /nfs/dbraw/zinc/18/40/69/523184069.db2.gz QYRQCRRCDMFTLQ-UHFFFAOYSA-N 1 0 284.407 2.343 10 0 CEAERO CC[C@@H]1CCCC[C@@H]1OC[C@H](O)C[NH2+]C1CCC1 ZINC000052209662 523208805 /nfs/dbraw/zinc/20/88/05/523208805.db2.gz SFFMUOQHSUMWLC-YUELXQCFSA-N 1 0 255.402 2.475 10 0 CEAERO CCn1c(S[C@@H](c2sccc2C)[C@@H](C)[NH3+])n[nH]c1=O ZINC000061594288 523244934 /nfs/dbraw/zinc/24/49/34/523244934.db2.gz OGTDXSRNHOGOIY-PSASIEDQSA-N 1 0 298.437 2.142 10 0 CEAERO CCn1c(S[C@H](c2ccc(C)s2)[C@@H](C)[NH3+])n[nH]c1=O ZINC000061594407 523247206 /nfs/dbraw/zinc/24/72/06/523247206.db2.gz QNBVDDQYVHXFBK-SCZZXKLOSA-N 1 0 298.437 2.142 10 0 CEAERO CC[C@@H]1CCC[N@H+](C[C@](NC2CC2)(C(=O)OC)C2CC2)C1 ZINC000069099919 523248256 /nfs/dbraw/zinc/24/82/56/523248256.db2.gz XFRFSKBODASWID-CXAGYDPISA-N 1 0 294.439 2.182 10 0 CEAERO CC[C@@H]1CCC[N@H+](C[C@](NC(C)C)(C(=O)OC)C2CC2)C1 ZINC000069099965 523248890 /nfs/dbraw/zinc/24/88/90/523248890.db2.gz LLNBVHPLCXQPSB-RHSMWYFYSA-N 1 0 296.455 2.428 10 0 CEAERO CC[C@@H]1CCCN1Cc1[nH+]c(NN)ccc1Cl ZINC000061638829 523269187 /nfs/dbraw/zinc/26/91/87/523269187.db2.gz KIECQMLNELHRGT-SECBINFHSA-N 1 0 254.765 2.395 10 0 CEAERO CC[C@H]1CN(c2c(C[NH2+]C(C)(C)C)c(C)nn2C)CCO1 ZINC000062735896 523300931 /nfs/dbraw/zinc/30/09/31/523300931.db2.gz OKUUYUPXEJLYHL-ZDUSSCGKSA-N 1 0 294.443 2.232 10 0 CEAERO CC[C@H]1COCCN1[C@@H](C[NH2+]CC(C)C)C(C)C ZINC000052481348 523335094 /nfs/dbraw/zinc/33/50/94/523335094.db2.gz RFZDEKAEZBIAJC-GJZGRUSLSA-N 1 0 256.434 2.367 10 0 CEAERO CC[C@H]1CO[C@H](C)CN1[C@@H](C[NH2+]C)c1ccccc1 ZINC000052571252 523354290 /nfs/dbraw/zinc/35/42/90/523354290.db2.gz RJAOAYGZLIAXQQ-KBMXLJTQSA-N 1 0 262.397 2.446 10 0 CEAERO CCn1cc(C[C@]2(C[NH2+]CCOC)C[C@H]3CC[C@@H]2C3)cn1 ZINC000054639318 523398326 /nfs/dbraw/zinc/39/83/26/523398326.db2.gz GSKMVMNZXVBVRC-UAGQMJEPSA-N 1 0 291.439 2.488 10 0 CEAERO CCn1cc([C@@H](Cc2csc(C)n2)[NH2+]C)cn1 ZINC000055295097 523464905 /nfs/dbraw/zinc/46/49/05/523464905.db2.gz CBPFEYINTCFNCH-GFCCVEGCSA-N 1 0 250.371 2.171 10 0 CEAERO CC[C@](C)([NH3+])c1noc(-c2ccc(OC)c(F)c2)n1 ZINC000061669634 523474241 /nfs/dbraw/zinc/47/42/41/523474241.db2.gz HCYCYPMOOWHZOI-ZDUSSCGKSA-N 1 0 265.288 2.468 10 0 CEAERO CC[C@@H]1COCCN1c1ccc(Cl)cc1C[NH3+] ZINC000052856927 523502548 /nfs/dbraw/zinc/50/25/48/523502548.db2.gz PYSKIGSEXVFIDK-GFCCVEGCSA-N 1 0 254.761 2.414 10 0 CEAERO CC[C@@H]1CO[C@H](C)CN1C[C@@H](C)C[NH2+]CC(C)C ZINC000052570845 523515706 /nfs/dbraw/zinc/51/57/06/523515706.db2.gz DXZCPLUTBIWSAO-RRFJBIMHSA-N 1 0 256.434 2.367 10 0 CEAERO CC[C@@H]1CSC(NCc2ccc3c(c2)OCO3)=[NH+]1 ZINC000061675016 523519767 /nfs/dbraw/zinc/51/97/67/523519767.db2.gz NDYREAVYEZDOKF-SNVBAGLBSA-N 1 0 264.350 2.386 10 0 CEAERO CC[C@]1(C(=O)N(C)c2ccccc2OC)CC[NH2+]C1 ZINC000062903044 523534818 /nfs/dbraw/zinc/53/48/18/523534818.db2.gz VRQRICNKGTUQOU-HNNXBMFYSA-N 1 0 262.353 2.048 10 0 CEAERO CC[C@]1(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)CCC[NH2+]C1 ZINC000062860362 523541570 /nfs/dbraw/zinc/54/15/70/523541570.db2.gz VNAACACTSFQMAX-INMHGKMJSA-N 1 0 272.392 2.439 10 0 CEAERO COC(=O)[C@@H](C)Oc1cc(OC)ccc1C[NH2+]CC(C)C ZINC000062733251 523553450 /nfs/dbraw/zinc/55/34/50/523553450.db2.gz FWKYUVQLSVPXFY-GFCCVEGCSA-N 1 0 295.379 2.381 10 0 CEAERO CN(Cc1[nH+]c(NN)ccc1Cl)C[C@@H]1CCCCO1 ZINC000061631287 523556586 /nfs/dbraw/zinc/55/65/86/523556586.db2.gz PGCNNWVFAWXWMQ-JTQLQIEISA-N 1 0 284.791 2.022 10 0 CEAERO COCCN(C)CC[NH2+][C@H](C)c1c(C)cc(C)nc1C ZINC000061377213 523609602 /nfs/dbraw/zinc/60/96/02/523609602.db2.gz XBBHZJROUHWRBW-CQSZACIVSA-N 1 0 279.428 2.236 10 0 CEAERO COCCN(C)CC[NH2+][C@H]1CSCc2ccccc21 ZINC000061377480 523613152 /nfs/dbraw/zinc/61/31/52/523613152.db2.gz CCDGRYILYOPWCD-HNNXBMFYSA-N 1 0 280.437 2.142 10 0 CEAERO CO[C@@H]1CCC[C@@H]([N@@H+]2CCNC[C@@H]2Cc2ccccc2)C1 ZINC000068696722 523616505 /nfs/dbraw/zinc/61/65/05/523616505.db2.gz VBSVKEIDKBINEA-FGTMMUONSA-N 1 0 288.435 2.461 10 0 CEAERO COCCN(C)c1nc(C[C@H]([NH3+])c2ccccc2)cs1 ZINC000054898348 523639961 /nfs/dbraw/zinc/63/99/61/523639961.db2.gz GCPDLLSPWLLAFG-AWEZNQCLSA-N 1 0 291.420 2.468 10 0 CEAERO COCCN(C)c1nc2ccccn2c1C[NH2+]C(C)(C)C ZINC000062736986 523640699 /nfs/dbraw/zinc/64/06/99/523640699.db2.gz DFDBHMOZXDIJEA-UHFFFAOYSA-N 1 0 290.411 2.305 10 0 CEAERO CC[C@@]1(C(=O)N[C@@H](C)COc2ccc(C)cc2)CC[NH2+]C1 ZINC000062898854 523696818 /nfs/dbraw/zinc/69/68/18/523696818.db2.gz TZFSZQYXTTTYDE-WMLDXEAASA-N 1 0 290.407 2.268 10 0 CEAERO CC[C@@]1(C(=O)Nc2ccc(OC)cc2)CCC[NH2+]C1 ZINC000062851610 523698181 /nfs/dbraw/zinc/69/81/81/523698181.db2.gz QKCUGTPABLPXSD-OAHLLOKOSA-N 1 0 262.353 2.414 10 0 CEAERO CCc1c(C)nn(C[C@@H]2CC[C@@H](C[NH2+]C3CC3)O2)c1C ZINC000052592199 523715069 /nfs/dbraw/zinc/71/50/69/523715069.db2.gz ARASJYSOMWGFAG-GJZGRUSLSA-N 1 0 277.412 2.362 10 0 CEAERO CCc1c(C)nn([C@H](C)C[C@](C)([NH2+]C(C)C)C(N)=O)c1C ZINC000068649230 523715874 /nfs/dbraw/zinc/71/58/74/523715874.db2.gz SSNUXSGIHFVMOQ-BZNIZROVSA-N 1 0 294.443 2.255 10 0 CEAERO COCC[NH+](CCOC)C[C@@H]1C[C@@H](C(C)C)CC[C@@H]1O ZINC000054561532 523715982 /nfs/dbraw/zinc/71/59/82/523715982.db2.gz IFMHBHWFAPJBRH-JYJNAYRXSA-N 1 0 287.444 2.014 10 0 CEAERO COCCN(CCOC)C1(C[NH3+])CCC(C(C)C)CC1 ZINC000054557068 523717385 /nfs/dbraw/zinc/71/73/85/523717385.db2.gz HVVGCORZNXRWSD-UHFFFAOYSA-N 1 0 286.460 2.125 10 0 CEAERO COc1ccc(C(=O)N[C@H](C)[C@@H]2CCCC[NH2+]2)cc1F ZINC000061668771 523734255 /nfs/dbraw/zinc/73/42/55/523734255.db2.gz DCVUEBZPHZBPOE-MFKMUULPSA-N 1 0 280.343 2.095 10 0 CEAERO CC[C@H](C(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C)[NH+](C)C ZINC000164321917 523761940 /nfs/dbraw/zinc/76/19/40/523761940.db2.gz UJDPVQPASGQBHM-ZIAGYGMSSA-N 1 0 292.427 2.041 10 0 CEAERO COCCN([C@@H](CC(N)=[NH2+])c1ccccc1)C1CC1 ZINC000055023287 523781168 /nfs/dbraw/zinc/78/11/68/523781168.db2.gz KZNZDJRJGIJSRZ-AWEZNQCLSA-N 1 0 261.369 2.165 10 0 CEAERO COc1ccc(C)cc1CN(C)C(=O)C1(C)CC[NH2+]CC1 ZINC000062841204 523807579 /nfs/dbraw/zinc/80/75/79/523807579.db2.gz XAZBCLVLUTWVHT-UHFFFAOYSA-N 1 0 290.407 2.352 10 0 CEAERO COC(=O)[C@@](C[N@H+](C)C1CCCCC1)(NC1CC1)C1CC1 ZINC000069095787 523821272 /nfs/dbraw/zinc/82/12/72/523821272.db2.gz FJCJNTJHSZBOGZ-KRWDZBQOSA-N 1 0 294.439 2.325 10 0 CEAERO COC(=O)[C@H](CC[N@H+](C)[C@@H]1CCC[C@@H](C)C1)NC(C)C ZINC000062459859 523898317 /nfs/dbraw/zinc/89/83/17/523898317.db2.gz CSVAOKCADBXUTL-KFWWJZLASA-N 1 0 284.444 2.427 10 0 CEAERO COCC[NH2+]C[C@@H]1CCCCN1c1cc(C(C)C)ncn1 ZINC000053701160 523940135 /nfs/dbraw/zinc/94/01/35/523940135.db2.gz JGDPJVXUWSGOPZ-AWEZNQCLSA-N 1 0 292.427 2.195 10 0 CEAERO COCC[NH2+]C[C@@](C)(O)c1c(C)cc(C)cc1C ZINC000055033689 523942220 /nfs/dbraw/zinc/94/22/20/523942220.db2.gz ZGFUNKBXRKPTKT-OAHLLOKOSA-N 1 0 251.370 2.055 10 0 CEAERO COCC[NH2+]C[C@H](CCOC)Cc1cccc(OC)c1 ZINC000054667258 523943261 /nfs/dbraw/zinc/94/32/61/523943261.db2.gz HUEKDXKPGLGUQU-OAHLLOKOSA-N 1 0 281.396 2.126 10 0 CEAERO COCC[NH2+]C[C@H]1C[C@@]1(C)c1ccc(OC)c(F)c1 ZINC000054598932 523944817 /nfs/dbraw/zinc/94/48/17/523944817.db2.gz IZCPCJRKVZNSCC-DOMZBBRYSA-N 1 0 267.344 2.348 10 0 CEAERO COCC[NH2+]Cc1c(Cl)cccc1N1CCC[C@H]1CO ZINC000062736788 523946973 /nfs/dbraw/zinc/94/69/73/523946973.db2.gz ITNONKODEUVJMM-LBPRGKRZSA-N 1 0 298.814 2.037 10 0 CEAERO COCC[NH2+]Cc1c(N2CCC[C@@H]2C)nc2sccn12 ZINC000062736499 523948610 /nfs/dbraw/zinc/94/86/10/523948610.db2.gz WTZXXHZIODLVEI-NSHDSACASA-N 1 0 294.424 2.121 10 0 CEAERO COc1ccc(CCN2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000051359864 523949592 /nfs/dbraw/zinc/94/95/92/523949592.db2.gz PYDDONQXMNXJDO-DLBZAZTESA-N 1 0 274.408 2.454 10 0 CEAERO CC[C@H](C)[NH+]1CCN(C(=O)c2c(C)cccc2N)CC1 ZINC000055063469 523950261 /nfs/dbraw/zinc/95/02/61/523950261.db2.gz UAKCZRDZSGFJPQ-ZDUSSCGKSA-N 1 0 275.396 2.134 10 0 CEAERO COCC[NH2+]Cc1sc(N(C)C(C)C)nc1C ZINC000054995820 523958666 /nfs/dbraw/zinc/95/86/66/523958666.db2.gz ZRQUDDHOSSBDOQ-UHFFFAOYSA-N 1 0 257.403 2.032 10 0 CEAERO COc1ccc(CN(C(=O)[C@]2(C)CC[NH2+]C2)C2CC2)cc1 ZINC000062894690 523991135 /nfs/dbraw/zinc/99/11/35/523991135.db2.gz PFGATQDPJMSFMY-QGZVFWFLSA-N 1 0 288.391 2.186 10 0 CEAERO COC(=O)[C@](C)(C[C@H](C)[N@@H+]1CCCC1(C)C)NC1CC1 ZINC000068646341 523999960 /nfs/dbraw/zinc/99/99/60/523999960.db2.gz WAOKTOFVPYNDML-LRDDRELGSA-N 1 0 282.428 2.323 10 0 CEAERO COC(=O)[C@](C)([NH3+])CCSc1nc2cc(C)ccc2[nH]1 ZINC000061440867 524001333 /nfs/dbraw/zinc/00/13/33/524001333.db2.gz LQIUUCRRKIYYNG-CQSZACIVSA-N 1 0 293.392 2.244 10 0 CEAERO CCc1ccc([C@@H](C[NH3+])N(CCOC)C2CC2)s1 ZINC000051719379 524027981 /nfs/dbraw/zinc/02/79/81/524027981.db2.gz QACZCGYVAMHYRZ-CYBMUJFWSA-N 1 0 268.426 2.421 10 0 CEAERO COc1ccc(C[N@@H+]2CCC[C@H]2CCCO)cc1N ZINC000052756951 524030163 /nfs/dbraw/zinc/03/01/63/524030163.db2.gz 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254.418 2.144 10 0 CEAERO C[C@H]1CC[C@@H](CNC(=O)CC2CCCCC2)C[NH2+]1 ZINC000062037020 524354127 /nfs/dbraw/zinc/35/41/27/524354127.db2.gz OUSXAALLCQJZIW-GXTWGEPZSA-N 1 0 252.402 2.461 10 0 CEAERO C[C@@H]1CCC[C@H](CNC(=O)c2cc(F)ccc2F)[NH2+]1 ZINC000051573399 524382571 /nfs/dbraw/zinc/38/25/71/524382571.db2.gz ONDFTFFRHSRUJA-MWLCHTKSSA-N 1 0 268.307 2.225 10 0 CEAERO C[C@@H]1CCC[C@H](CNC(=O)c2ccc(F)cc2F)[NH2+]1 ZINC000051572988 524382895 /nfs/dbraw/zinc/38/28/95/524382895.db2.gz VODDDRFQQUSGJQ-MWLCHTKSSA-N 1 0 268.307 2.225 10 0 CEAERO C[C@@H]1CCC[C@H](c2noc(CN3CCC[NH2+]CC3)n2)C1 ZINC000061145734 524413857 /nfs/dbraw/zinc/41/38/57/524413857.db2.gz QDMFIHQCHRKICU-OLZOCXBDSA-N 1 0 278.400 2.159 10 0 CEAERO C[C@H]1CC[C@H](NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)C[C@@H]1C ZINC000068584516 524420623 /nfs/dbraw/zinc/42/06/23/524420623.db2.gz MQXXFVXZKBHUJJ-ZPFDUUQYSA-N 1 0 292.345 2.469 10 0 CEAERO COc1ccccc1CN(C)Cc1ccoc1C[NH3+] ZINC000052542262 524436717 /nfs/dbraw/zinc/43/67/17/524436717.db2.gz KFIJCGOLSCOXPE-UHFFFAOYSA-N 1 0 260.337 2.379 10 0 CEAERO C[C@H](CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000218933533 524449982 /nfs/dbraw/zinc/44/99/82/524449982.db2.gz WGUZNRGLDYGSNJ-VHDGCEQUSA-N 1 0 260.381 2.424 10 0 CEAERO C[C@H](CNC(=O)c1ccc2c[nH]nc2c1)[NH+]1CCCCC1 ZINC000061670464 524465609 /nfs/dbraw/zinc/46/56/09/524465609.db2.gz JOAPMPSVPHVLEG-GFCCVEGCSA-N 1 0 286.379 2.167 10 0 CEAERO COc1ccccc1C[C@@H]([NH2+]CC(C)(C)C(N)=O)C(C)C ZINC000183206980 524502013 /nfs/dbraw/zinc/50/20/13/524502013.db2.gz PSHQIXFUBWGQAS-CQSZACIVSA-N 1 0 292.423 2.363 10 0 CEAERO Cc1ccc(CNC(=O)Nc2ccc(C[NH3+])cc2)o1 ZINC000053041202 524535214 /nfs/dbraw/zinc/53/52/14/524535214.db2.gz TXVAYTCIFZOCRG-UHFFFAOYSA-N 1 0 259.309 2.368 10 0 CEAERO Cc1cc(C)n(Cc2cc(C[NH2+]C(C)(C)C)no2)n1 ZINC000052575832 524536185 /nfs/dbraw/zinc/53/61/85/524536185.db2.gz MXJWUPUGZWZRIJ-UHFFFAOYSA-N 1 0 262.357 2.424 10 0 CEAERO C[C@@H](C[NH3+])c1noc(-c2c(F)c(F)c(F)c(F)c2F)n1 ZINC000054158923 524585731 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C[C@H]1C[NH2+]C[C@H](C)N1Cc1ccc2ncccc2c1 ZINC000069134947 524700215 /nfs/dbraw/zinc/70/02/15/524700215.db2.gz JXKKAZXYAXWHQJ-STQMWFEESA-N 1 0 255.365 2.417 10 0 CEAERO C[C@@H](C[NH2+]C[C@@H]1CCCO1)OCc1cccs1 ZINC000053591334 524737467 /nfs/dbraw/zinc/73/74/67/524737467.db2.gz QNLAHICZIMMZAA-RYUDHWBXSA-N 1 0 255.383 2.422 10 0 CEAERO C[C@@H](C[NH2+]C[C@@H]1CCCO1)Oc1ccc(F)cc1 ZINC000053566781 524738439 /nfs/dbraw/zinc/73/84/39/524738439.db2.gz DBTFNCWFCRSYJJ-FZMZJTMJSA-N 1 0 253.317 2.362 10 0 CEAERO C[C@H](Cc1ccco1)[NH2+][C@H](C)c1nnc2n1CCC2 ZINC000062771626 524747569 /nfs/dbraw/zinc/74/75/69/524747569.db2.gz LUGNLPMRKDJQJV-GHMZBOCLSA-N 1 0 260.341 2.099 10 0 CEAERO Cc1cc(C[NH2+]CC(C)C)cc(C)c1OCCC(N)=O ZINC000062728575 524753796 /nfs/dbraw/zinc/75/37/96/524753796.db2.gz UHWOAQJSTJQVMQ-UHFFFAOYSA-N 1 0 278.396 2.303 10 0 CEAERO C[C@@H]1CN(C(=O)C(C)(C)c2ccccc2)[C@H](C)C[NH2+]1 ZINC000062656411 524756866 /nfs/dbraw/zinc/75/68/66/524756866.db2.gz MQZIKUHXLIUSFJ-CHWSQXEVSA-N 1 0 260.381 2.173 10 0 CEAERO Cc1ccc(F)c(C(=O)N2[C@H](C)CCC[C@H]2C[NH3+])c1 ZINC000070151703 524789995 /nfs/dbraw/zinc/78/99/95/524789995.db2.gz SOXNMHUNETZYTR-NEPJUHHUSA-N 1 0 264.344 2.476 10 0 CEAERO Cc1ccc(F)c(C(=O)N[C@H](C)C[NH+]2CCCC2)c1 ZINC000053009599 524798891 /nfs/dbraw/zinc/79/88/91/524798891.db2.gz XJXINSSUYDWHMZ-GFCCVEGCSA-N 1 0 264.344 2.348 10 0 CEAERO COc1ccccc1[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000054686206 524800017 /nfs/dbraw/zinc/80/00/17/524800017.db2.gz XTIPPRNYMRHHFX-HOCLYGCPSA-N 1 0 257.333 2.299 10 0 CEAERO Cc1cccc(SCCC[C@](C)([NH3+])C(N)=O)c1 ZINC000045595611 524809624 /nfs/dbraw/zinc/80/96/24/524809624.db2.gz GAEFIGZUGRRAEH-ZDUSSCGKSA-N 1 0 252.383 2.070 10 0 CEAERO C[C@H](N(C)C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)C(C)(C)C ZINC000069051879 524813013 /nfs/dbraw/zinc/81/30/13/524813013.db2.gz IYDODICFHHKCKF-JOYOIKCWSA-N 1 0 280.334 2.421 10 0 CEAERO C[C@@H](C[C@@](C)(N)C(N)=O)[N@@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000068648177 524852551 /nfs/dbraw/zinc/85/25/51/524852551.db2.gz QTUVMKMWVRQRFA-HEHGZKQESA-N 1 0 283.460 2.116 10 0 CEAERO C[C@H]([NH3+])[C@H](Sc1nnc2ccccn21)c1ccccn1 ZINC000061406115 524854604 /nfs/dbraw/zinc/85/46/04/524854604.db2.gz KTYFEMBVPLJUIU-GWCFXTLKSA-N 1 0 285.376 2.305 10 0 CEAERO C[C@H]([NH3+])[C@H]1CCCCN1c1cc(Cl)ccc1C(N)=O ZINC000063196520 524857633 /nfs/dbraw/zinc/85/76/33/524857633.db2.gz QSKCMYSSLBORTG-JOYOIKCWSA-N 1 0 281.787 2.145 10 0 CEAERO Cc1cc(Cl)cc(C)c1OCC[NH2+]CCN(C)C ZINC000053563967 524860677 /nfs/dbraw/zinc/86/06/77/524860677.db2.gz DDXAAXFRLCRKBV-UHFFFAOYSA-N 1 0 270.804 2.487 10 0 CEAERO C[C@@H](C[C@](C)(NC1CC1)C(N)=O)[N@H+](C)C1CCCCC1 ZINC000068621143 524863804 /nfs/dbraw/zinc/86/38/04/524863804.db2.gz ZZLQFZDRJXYHAA-LRDDRELGSA-N 1 0 281.444 2.026 10 0 CEAERO C[C@H]([NH3+])c1nc(Cc2ccc(F)cc2Cl)n[nH]1 ZINC000062609404 524868466 /nfs/dbraw/zinc/86/84/66/524868466.db2.gz WGRXDWYVVOLCNS-LURJTMIESA-N 1 0 254.696 2.208 10 0 CEAERO Cc1ccc(F)cc1NS(=O)(=O)C[C@H]1CCCC[NH2+]1 ZINC000049630853 524869647 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ZINC000063018128 525120405 /nfs/dbraw/zinc/12/04/05/525120405.db2.gz XVOGUFWVGWJYPE-HNNXBMFYSA-N 1 0 295.448 2.422 10 0 CEAERO CS(=O)(=O)CCC[C@]1([NH3+])CCCc2ccccc21 ZINC000063016309 525121250 /nfs/dbraw/zinc/12/12/50/525121250.db2.gz USJXBNZSTGMJRU-CQSZACIVSA-N 1 0 267.394 2.002 10 0 CEAERO C[C@](O)(C[NH2+]C[C@H]1Cc2ccccc2O1)c1ccccc1 ZINC000052097950 525177470 /nfs/dbraw/zinc/17/74/70/525177470.db2.gz VNTWJLAMYCNOLS-AEFFLSMTSA-N 1 0 283.371 2.487 10 0 CEAERO COc1ccc([C@@H](C[NH3+])OC)cc1Br ZINC000049848151 525178780 /nfs/dbraw/zinc/17/87/80/525178780.db2.gz YBDBAESOHVPZDB-SNVBAGLBSA-N 1 0 260.131 2.104 10 0 CEAERO COc1ccc([C@@H](CN)[N@H+](C)C2CCOCC2)cc1C ZINC000050596694 525179585 /nfs/dbraw/zinc/17/95/85/525179585.db2.gz OJAYQSORYAOAIS-OAHLLOKOSA-N 1 0 278.396 2.114 10 0 CEAERO COc1ccc([C@@H](CNC(=O)C=C(C)C)[NH+](C)C)cc1 ZINC000068194308 525182941 /nfs/dbraw/zinc/18/29/41/525182941.db2.gz LLUIICWOEHNLDX-OAHLLOKOSA-N 1 0 276.380 2.380 10 0 CEAERO C[C@]1(C(=O)N2CCC[C@H]2c2ccsc2)CC[NH2+]C1 ZINC000062895581 525194195 /nfs/dbraw/zinc/19/41/95/525194195.db2.gz MZLLFNLLQZJFLO-JSGCOSHPSA-N 1 0 264.394 2.411 10 0 CEAERO COc1ccc([C@@H](O)[C@@H]([NH3+])CC(C)C)c(OC)c1OC ZINC000054929607 525209548 /nfs/dbraw/zinc/20/95/48/525209548.db2.gz ZBIIVRLUZZRGHM-WCQYABFASA-N 1 0 283.368 2.119 10 0 CEAERO C[C@]1(C2CC2)CN(CCc2ccsc2)CC[NH2+]1 ZINC000068694079 525236727 /nfs/dbraw/zinc/23/67/27/525236727.db2.gz VNRPJXANSADPQA-CQSZACIVSA-N 1 0 250.411 2.365 10 0 CEAERO Cc1ccc(NS(=O)(=O)C[C@@H]2CCC[NH2+]C2)cc1C ZINC000049641549 525293100 /nfs/dbraw/zinc/29/31/00/525293100.db2.gz RFKOEXYPFKIQCP-CYBMUJFWSA-N 1 0 282.409 2.045 10 0 CEAERO C[C@@H](NC(=O)[C@](C)([NH3+])c1ccccc1)c1cccnc1 ZINC000052881554 525301809 /nfs/dbraw/zinc/30/18/09/525301809.db2.gz QHOHORCGTAHHFX-MLGOLLRUSA-N 1 0 269.348 2.133 10 0 CEAERO COc1ccc([C@H](C)N2C[C@H](C)[NH2+][C@@H](C)C2)c(OC)c1 ZINC000070075242 525302481 /nfs/dbraw/zinc/30/24/81/525302481.db2.gz ZMLVJDQSMPCYDE-AVGNSLFASA-N 1 0 278.396 2.447 10 0 CEAERO C[C@H]([NH2+]CC(=O)NCc1cccc(Cl)c1)[C@@H]1CCCO1 ZINC000183151441 525307866 /nfs/dbraw/zinc/30/78/66/525307866.db2.gz UCOGHJNGZZVCBA-FZMZJTMJSA-N 1 0 296.798 2.113 10 0 CEAERO COc1ccc([C@H]([NH3+])Cc2cccnc2)cc1OC ZINC000055228882 525363787 /nfs/dbraw/zinc/36/37/87/525363787.db2.gz WYHOJDMYEPPRFP-CYBMUJFWSA-N 1 0 258.321 2.341 10 0 CEAERO C[C@H]([NH2+]CCn1ccc(=O)c2ccccc21)[C@@H]1CCCO1 ZINC000053542203 525374857 /nfs/dbraw/zinc/37/48/57/525374857.db2.gz NUVCUBCYUSYWJC-GUYCJALGSA-N 1 0 286.375 2.159 10 0 CEAERO COc1ccc([C@H](O)[C@H]([NH3+])c2ccccc2)cc1OC ZINC000054682340 525379460 /nfs/dbraw/zinc/37/94/60/525379460.db2.gz WTJNLWXCIYIEEW-CVEARBPZSA-N 1 0 273.332 2.437 10 0 CEAERO C[C@@H]([NH2+]CC(=O)Nc1cc(F)ccc1F)[C@@H]1CCCO1 ZINC000183089786 525411539 /nfs/dbraw/zinc/41/15/39/525411539.db2.gz GNEHCNKQQWBMML-RNCFNFMXSA-N 1 0 284.306 2.060 10 0 CEAERO Cc1ccccc1[C@H]([NH3+])CCN(C)Cc1nccn1C ZINC000062323028 525423581 /nfs/dbraw/zinc/42/35/81/525423581.db2.gz ONKPLPAYXSFUMI-OAHLLOKOSA-N 1 0 272.396 2.250 10 0 CEAERO C[C@@H]([NH2+]CCSC1CCOCC1)[C@@H]1CCCO1 ZINC000062056861 525455015 /nfs/dbraw/zinc/45/50/15/525455015.db2.gz AUYGSOWKWHPRIR-YPMHNXCESA-N 1 0 259.415 2.056 10 0 CEAERO C[C@@H](NC[C@@H](O)C[NH+]1CCCCC1)c1cc(F)ccc1F ZINC000151258545 525474978 /nfs/dbraw/zinc/47/49/78/525474978.db2.gz ZTXDSNKSWCXJCD-TZMCWYRMSA-N 1 0 298.377 2.462 10 0 CEAERO CSCCC[NH2+][C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000069433962 525481652 /nfs/dbraw/zinc/48/16/52/525481652.db2.gz BCKCTHLJPCSDKK-GFCCVEGCSA-N 1 0 285.434 2.248 10 0 CEAERO CSCC[NH2+]Cc1c(C)nc2scc(C)n12 ZINC000068996941 525510881 /nfs/dbraw/zinc/51/08/81/525510881.db2.gz LQMAPHDHFCFQND-UHFFFAOYSA-N 1 0 255.412 2.465 10 0 CEAERO CSCC[NH2+][C@H]1CC(=O)N(C)c2ccccc21 ZINC000069427534 525512059 /nfs/dbraw/zinc/51/20/59/525512059.db2.gz HGIIANFVQOBDKX-NSHDSACASA-N 1 0 250.367 2.047 10 0 CEAERO C[C@H]([NH2+][C@H]1CCCS(=O)(=O)C1)c1ccc(F)cc1 ZINC000069135324 525610002 /nfs/dbraw/zinc/61/00/02/525610002.db2.gz AQNZNNQLDUHEBA-GWCFXTLKSA-N 1 0 271.357 2.054 10 0 CEAERO C[C@@H]1[C@@H](C)CCC[N@@H+]1CC(=O)Nc1cc(F)ccc1N ZINC000050563205 525639693 /nfs/dbraw/zinc/63/96/93/525639693.db2.gz DZIMRETZADIYDU-WDEREUQCSA-N 1 0 279.359 2.467 10 0 CEAERO C[C@H](Nc1ccnc(N(C)C)n1)c1ccc(C[NH3+])cc1 ZINC000068690009 525671951 /nfs/dbraw/zinc/67/19/51/525671951.db2.gz GTQJDFGCVWGPMU-NSHDSACASA-N 1 0 271.368 2.174 10 0 CEAERO CSC[C@H](C)C[NH2+][C@H]1CCS(=O)(=O)c2ccccc21 ZINC000069438822 525683297 /nfs/dbraw/zinc/68/32/97/525683297.db2.gz HTPSAEDSJJAVQQ-YPMHNXCESA-N 1 0 299.461 2.494 10 0 CEAERO Cc1cc2ncnn2c(N[C@H](C)C[NH+]2CCCCC2)c1 ZINC000049502140 525686965 /nfs/dbraw/zinc/68/69/65/525686965.db2.gz DQNBGSRJBZXBHJ-CYBMUJFWSA-N 1 0 273.384 2.324 10 0 CEAERO Cc1c(C)n([C@H](C)C[NH+]2CCCC2)c2ncnc(N)c12 ZINC000049185780 525687847 /nfs/dbraw/zinc/68/78/47/525687847.db2.gz LSACWGHFPBDVPW-SNVBAGLBSA-N 1 0 273.384 2.287 10 0 CEAERO C[C@@H](Nc1ccc(C(N)=O)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000062791369 525703209 /nfs/dbraw/zinc/70/32/09/525703209.db2.gz ZHDXTXHJISXGFV-KOLCDFICSA-N 1 0 281.787 2.239 10 0 CEAERO C[C@@]([NH3+])(C(=O)Nc1ccc(O)cc1)c1ccccc1 ZINC000052881934 525749336 /nfs/dbraw/zinc/74/93/36/525749336.db2.gz HPZFUVDNAUEMTK-HNNXBMFYSA-N 1 0 256.305 2.205 10 0 CEAERO Cc1ccc([C@@H](C[NH3+])Sc2nnc3ccccn32)o1 ZINC000061406411 525756553 /nfs/dbraw/zinc/75/65/53/525756553.db2.gz LXQUCOXGPSUANN-LLVKDONJSA-N 1 0 274.349 2.423 10 0 CEAERO COc1cccc(CN(C)Cc2ccc[nH+]c2NN)c1 ZINC000052722873 525912656 /nfs/dbraw/zinc/91/26/56/525912656.db2.gz DNNTZLCSGOPLDH-UHFFFAOYSA-N 1 0 272.352 2.008 10 0 CEAERO COc1cccc(C[NH3+])c1O[C@H]1CCC[C@H](OC)C1 ZINC000070323423 525925895 /nfs/dbraw/zinc/92/58/95/525925895.db2.gz JRPPZUDXCOBCNJ-STQMWFEESA-N 1 0 265.353 2.490 10 0 CEAERO COc1cccc(CN2C[C@H](C)[NH2+]CC23CCCC3)n1 ZINC000068698677 525956926 /nfs/dbraw/zinc/95/69/26/525956926.db2.gz XGVVOJHZJXVZTE-ZDUSSCGKSA-N 1 0 275.396 2.197 10 0 CEAERO COc1cccc(C[NH2+]CC(C)C)c1O[C@@H]1CCOC1=O ZINC000062732312 526013281 /nfs/dbraw/zinc/01/32/81/526013281.db2.gz CBTRNXIKKXLIQJ-CQSZACIVSA-N 1 0 293.363 2.135 10 0 CEAERO Cc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c(C)n1 ZINC000055331146 526100969 /nfs/dbraw/zinc/10/09/69/526100969.db2.gz ZIJPIDUMEIQIKV-LSDHHAIUSA-N 1 0 273.380 2.055 10 0 CEAERO Cc1ccc(C(=O)N2C[C@@H](CC[NH3+])c3ccccc32)cn1 ZINC000063128162 526137039 /nfs/dbraw/zinc/13/70/39/526137039.db2.gz FLOIKYSPLIQUSZ-CQSZACIVSA-N 1 0 281.359 2.483 10 0 CEAERO Cc1ccc2c(c1)[C@H](NC[C@@H](O)C[NH+]1CCCCC1)CC2 ZINC000151315316 526210068 /nfs/dbraw/zinc/21/00/68/526210068.db2.gz QYKFFWJHFQTJSS-SJLPKXTDSA-N 1 0 288.435 2.419 10 0 CEAERO C[C@H]1CC(=O)N(C[C@@H]([NH3+])C23CC4CC(CC(C4)C2)C3)C1 ZINC000062816574 526214300 /nfs/dbraw/zinc/21/43/00/526214300.db2.gz MWIDBLCRBBUYIZ-DVMIWYLISA-N 1 0 276.424 2.399 10 0 CEAERO C[C@H]1CCCC[C@@H]1N(C)C(=O)c1cc[nH+]c(NN)c1 ZINC000051119183 526255488 /nfs/dbraw/zinc/25/54/88/526255488.db2.gz VDBGXWBDXDXYRP-JQWIXIFHSA-N 1 0 262.357 2.018 10 0 CEAERO O=C([O-])[C@H](CC[N@@H+]1CC[C@H](c2ccccc2)C1)[NH2+]C1CC1 ZINC000062530970 526300558 /nfs/dbraw/zinc/30/05/58/526300558.db2.gz LIYAFRIQNZBETK-HOCLYGCPSA-N 1 0 288.391 2.071 10 0 CEAERO O=C([O-])[C@H](CC[N@@H+]1CCC[C@@H]2CCCC[C@@H]21)[NH2+]C1CC1 ZINC000062451776 526300787 /nfs/dbraw/zinc/30/07/87/526300787.db2.gz ZVDZEVMTVDMFQC-QEJZJMRPSA-N 1 0 280.412 2.236 10 0 CEAERO Cc1nn([C@@H](C[NH3+])c2cccnc2)c(C)c1Cl ZINC000050586341 526302959 /nfs/dbraw/zinc/30/29/59/526302959.db2.gz ZJYZNEJVMPSRFT-NSHDSACASA-N 1 0 250.733 2.096 10 0 CEAERO Cc1nn([C@H](c2ccccn2)[C@@H](C)[NH3+])c(C)c1Cl ZINC000050586149 526306485 /nfs/dbraw/zinc/30/64/85/526306485.db2.gz FZRRZDOUBAPZQN-OQPBUACISA-N 1 0 264.760 2.485 10 0 CEAERO O=C(CC(F)(F)F)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000063189628 526320588 /nfs/dbraw/zinc/32/05/88/526320588.db2.gz ZZTFLJCVPGTGCN-NXEZZACHSA-N 1 0 264.291 2.072 10 0 CEAERO Cc1csc(Cc2nc(C(C)C)cc(NN)[nH+]2)n1 ZINC000055269865 526368355 /nfs/dbraw/zinc/36/83/55/526368355.db2.gz WRFNSMCASXOEMW-UHFFFAOYSA-N 1 0 263.370 2.241 10 0 CEAERO Cc1nnc(Oc2cc(F)cc(F)c2)c(C(N)=[NH2+])c1C ZINC000054933188 526376701 /nfs/dbraw/zinc/37/67/01/526376701.db2.gz UDUJVGAJTDUKIX-UHFFFAOYSA-N 1 0 278.262 2.448 10 0 CEAERO Fc1cccc(-c2nnc(CC[NH2+]C3CC3)o2)c1F ZINC000054215549 526381449 /nfs/dbraw/zinc/38/14/49/526381449.db2.gz QSALMFZEGSOGFV-UHFFFAOYSA-N 1 0 265.263 2.309 10 0 CEAERO c1cc(N2CCO[C@H]3CCC[C@@H]32)cc(C[NH2+]C2CC2)n1 ZINC000051485679 526433479 /nfs/dbraw/zinc/43/34/79/526433479.db2.gz MFKMDKZOAGLAMP-HOTGVXAUSA-N 1 0 273.380 2.091 10 0 CEAERO O=C([C@@H]1CCC[NH2+]C1)N1CCC2(CCCC2)CC1 ZINC000062958327 526472826 /nfs/dbraw/zinc/47/28/26/526472826.db2.gz KITFZJNQWMGUAV-CYBMUJFWSA-N 1 0 250.386 2.169 10 0 CEAERO c1ccc([C@@H]2CCN(CC[NH2+]C3CCOCC3)C2)cc1 ZINC000062767726 526492630 /nfs/dbraw/zinc/49/26/30/526492630.db2.gz YYUBHWHXVPDWSJ-MRXNPFEDSA-N 1 0 274.408 2.245 10 0 CEAERO O=C(CC[C@@H]1CCCC[NH2+]1)Nc1ccc2c[nH]nc2c1 ZINC000050944825 526548390 /nfs/dbraw/zinc/54/83/90/526548390.db2.gz UJNIKEXTZNMGBP-LBPRGKRZSA-N 1 0 272.352 2.424 10 0 CEAERO O=C(CC[C@@H]1CCCC[NH2+]1)OC[C@H]1CCCCO1 ZINC000050928558 526549590 /nfs/dbraw/zinc/54/95/90/526549590.db2.gz CHWXAWQQDSGROJ-QWHCGFSZSA-N 1 0 255.358 2.021 10 0 CEAERO Cc1nc(-c2ncccn2)nc(C)c1CCC[NH2+]C(C)C ZINC000054837730 526625505 /nfs/dbraw/zinc/62/55/05/526625505.db2.gz JCOYKKNGKHNCIB-UHFFFAOYSA-N 1 0 285.395 2.481 10 0 CEAERO Cc1nonc1COc1c(C)cc(C[C@@H](C)[NH3+])cc1C ZINC000070269250 526703279 /nfs/dbraw/zinc/70/32/79/526703279.db2.gz WAXWOLYOQJUYBW-LLVKDONJSA-N 1 0 275.352 2.464 10 0 CEAERO O=C(c1ccccc1F)N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051358306 526805051 /nfs/dbraw/zinc/80/50/51/526805051.db2.gz ROTKGDMXGWWSCJ-UONOGXRCSA-N 1 0 262.328 2.182 10 0 CEAERO Cc1nc(CN(C)C(=[NH2+])NC2CCCC2)cs1 ZINC000052046321 526831762 /nfs/dbraw/zinc/83/17/62/526831762.db2.gz IKMMCWASAHXBRS-UHFFFAOYSA-N 1 0 252.387 2.350 10 0 CEAERO Cc1nc(N2CCC(C[NH+](C)C)CC2)sc1[C@@H](C)O ZINC000054927785 526963405 /nfs/dbraw/zinc/96/34/05/526963405.db2.gz GEPQQVSYDAMREW-LLVKDONJSA-N 1 0 283.441 2.283 10 0 CEAERO NC(=O)c1ccc(Cl)cc1OCC[C@@H]1CCC[NH2+]C1 ZINC000062786612 527053492 /nfs/dbraw/zinc/05/34/92/527053492.db2.gz QJYQSFGXTWQNCF-JTQLQIEISA-N 1 0 282.771 2.207 10 0 CEAERO NC(=S)C[C@@H](c1ccccc1)[NH+]1CCC(CO)CC1 ZINC000055024581 527108640 /nfs/dbraw/zinc/10/86/40/527108640.db2.gz WNOPAFAFOAWSFU-AWEZNQCLSA-N 1 0 278.421 2.108 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)N1CC[C@H](c2ccccc2)C1 ZINC000054292723 527120086 /nfs/dbraw/zinc/12/00/86/527120086.db2.gz COKXTWHUEQUJTR-HOCLYGCPSA-N 1 0 272.392 2.392 10 0 CEAERO [NH3+]C1(c2nc(-c3nc(-c4ccco4)no3)c[nH]2)CCC1 ZINC000054445204 527133386 /nfs/dbraw/zinc/13/33/86/527133386.db2.gz WWXXHROEXATWBO-UHFFFAOYSA-N 1 0 271.280 2.058 10 0 CEAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2c1ccc(CCO)cc1 ZINC000054602341 527144989 /nfs/dbraw/zinc/14/49/89/527144989.db2.gz IJDCDESVMLRRJQ-VHRNVKJDSA-N 1 0 260.381 2.070 10 0 CEAERO [NH3+]CC1([C@H]2CS(=O)(=O)c3ccccc32)CCCC1 ZINC000054635675 527164932 /nfs/dbraw/zinc/16/49/32/527164932.db2.gz PCYMPZUSEYAORM-LBPRGKRZSA-N 1 0 265.378 2.077 10 0 CEAERO Cc1nc2ccccn2c1C[NH2+][C@H](CN(C)C)C(C)C ZINC000049198238 527180041 /nfs/dbraw/zinc/18/00/41/527180041.db2.gz ABVSWNYNJPXNEM-CQSZACIVSA-N 1 0 274.412 2.319 10 0 CEAERO [NH3+]CCCc1nnc(-c2ccc3ncccc3c2)o1 ZINC000061439257 527183302 /nfs/dbraw/zinc/18/33/02/527183302.db2.gz RJHQIKSHTIPHMA-UHFFFAOYSA-N 1 0 254.293 2.176 10 0 CEAERO [NH3+]CC[C@@H](Sc1nnc2ccccn21)C(F)(F)F ZINC000061407272 527190956 /nfs/dbraw/zinc/19/09/56/527190956.db2.gz CXZMIDSGVBWBDH-SSDOTTSWSA-N 1 0 276.287 2.101 10 0 CEAERO [NH3+]CCc1cc(Br)c2c(c1)CCCO2 ZINC000062626158 527195185 /nfs/dbraw/zinc/19/51/85/527195185.db2.gz RXTDBBPABRAPER-UHFFFAOYSA-N 1 0 256.143 2.275 10 0 CEAERO [NH3+]CCc1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000049689802 527195504 /nfs/dbraw/zinc/19/55/04/527195504.db2.gz IRYHRBZXADVDHH-SNVBAGLBSA-N 1 0 255.745 2.257 10 0 CEAERO [NH3+]CCc1ccnc(-c2ccc3ccccc3n2)n1 ZINC000063076621 527197905 /nfs/dbraw/zinc/19/79/05/527197905.db2.gz QUPWWLCXZPDCIE-UHFFFAOYSA-N 1 0 250.305 2.193 10 0 CEAERO [NH3+]CCc1ccnc(C2(c3ccccc3)CCC2)n1 ZINC000062782318 527198183 /nfs/dbraw/zinc/19/81/83/527198183.db2.gz JJZVPWBYFYUVMI-UHFFFAOYSA-N 1 0 253.349 2.448 10 0 CEAERO [NH3+]C[C@@H](NC(=O)CC[C@@H]1CCCCO1)c1ccccc1 ZINC000069405594 527203224 /nfs/dbraw/zinc/20/32/24/527203224.db2.gz CQWQUWKPAOKBSE-LSDHHAIUSA-N 1 0 276.380 2.152 10 0 CEAERO [NH3+]C[C@H](CCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000052946540 527225626 /nfs/dbraw/zinc/22/56/26/527225626.db2.gz GNDDLISMXRIXGG-LSDHHAIUSA-N 1 0 281.421 2.019 10 0 CEAERO [NH3+]C[C@H]1CC[C@H](COc2cccc(Br)c2)O1 ZINC000052674047 527241149 /nfs/dbraw/zinc/24/11/49/527241149.db2.gz WFSSQGRQCMRIJM-VXGBXAGGSA-N 1 0 286.169 2.334 10 0 CEAERO [NH3+]C[C@]1(Cc2ccc(F)c(Br)c2)CCOC1 ZINC000054637611 527241916 /nfs/dbraw/zinc/24/19/16/527241916.db2.gz TVJPLZXSVKSPGM-GFCCVEGCSA-N 1 0 288.160 2.496 10 0 CEAERO [NH3+]Cc1cc2c(nc1-n1ccc(C3CC3)n1)CCCC2 ZINC000052855712 527250666 /nfs/dbraw/zinc/25/06/66/527250666.db2.gz IIGVFUXBUDNEAC-UHFFFAOYSA-N 1 0 268.364 2.482 10 0 CEAERO NC(=O)CN(c1cc(Cl)ccc1C[NH3+])C1CCCC1 ZINC000062786963 527253388 /nfs/dbraw/zinc/25/33/88/527253388.db2.gz LYHUWCUZVZSQMP-UHFFFAOYSA-N 1 0 281.787 2.033 10 0 CEAERO [NH3+]Cc1ccc(F)cc1CS(=O)(=O)c1ccc(F)cc1 ZINC000069403899 527255144 /nfs/dbraw/zinc/25/51/44/527255144.db2.gz SDKGRLSEKRGSNJ-UHFFFAOYSA-N 1 0 297.326 2.397 10 0 CEAERO [NH3+]Cc1ccc(NC(=O)CN2Cc3ccccc3C2)cc1 ZINC000050910510 527256144 /nfs/dbraw/zinc/25/61/44/527256144.db2.gz UNLZGEGDMYSCND-UHFFFAOYSA-N 1 0 281.359 2.100 10 0 CEAERO [NH3+]Cc1cccc(-n2cc(Br)cn2)c1 ZINC000068983672 527258883 /nfs/dbraw/zinc/25/88/83/527258883.db2.gz HKVUQNNREDCZTE-UHFFFAOYSA-N 1 0 252.115 2.094 10 0 CEAERO [NH3+]Cc1cnc(N2CCN(c3ccccc3F)CC2)s1 ZINC000054863855 527261777 /nfs/dbraw/zinc/26/17/77/527261777.db2.gz XNPRODHUTAFUTG-UHFFFAOYSA-N 1 0 292.383 2.068 10 0 CEAERO [NH3+]Cc1cnn(Cc2cccc(Br)c2)c1 ZINC000054716755 527263390 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CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)OCC(F)(F)F)C1 ZINC000177029548 529088274 /nfs/dbraw/zinc/08/82/74/529088274.db2.gz FCFQACAEKQEOPA-BDAKNGLRSA-N 1 0 268.279 2.004 10 0 CEAERO CC[C@H]1CN(C(=O)N[C@@H]2CCC[N@H+](CC)C2)CCS1 ZINC000174235064 529275323 /nfs/dbraw/zinc/27/53/23/529275323.db2.gz WNFKXSGIGMBLKH-OLZOCXBDSA-N 1 0 285.457 2.008 10 0 CEAERO CCC[NH2+][C@H](C)[C@H]1CCCN(c2ncc(C)cn2)C1 ZINC000111716297 535191886 /nfs/dbraw/zinc/19/18/86/535191886.db2.gz HHXKRBPZWCKDFC-KGLIPLIRSA-N 1 0 262.401 2.390 10 0 CEAERO CC[C@@H]1COCCN1c1c(F)cc(CC[NH3+])cc1F ZINC000111480283 535835966 /nfs/dbraw/zinc/83/59/66/535835966.db2.gz HTYKLIGYUYZGLK-LLVKDONJSA-N 1 0 270.323 2.081 10 0 CEAERO C[NH2+][C@@H]1CCN(CC2(O)CCCC2)c2ccccc21 ZINC000087459262 536375117 /nfs/dbraw/zinc/37/51/17/536375117.db2.gz WCXDMNRFVMFMRT-CQSZACIVSA-N 1 0 260.381 2.462 10 0 CEAERO COc1ccc(Br)c(N2CCC([NH3+])CC2)c1 ZINC000083869390 536630137 /nfs/dbraw/zinc/63/01/37/536630137.db2.gz FLUJTQSAJWEDRC-UHFFFAOYSA-N 1 0 285.185 2.385 10 0 CEAERO COc1ncnc(N2CCC[C@@H](C[NH2+]CC(C)C)C2)c1C ZINC000090789069 536905326 /nfs/dbraw/zinc/90/53/26/536905326.db2.gz XAVVHVABRMRHQE-AWEZNQCLSA-N 1 0 292.427 2.256 10 0 CEAERO Cn1nc(Br)cc1[C@@H]1[NH2+]CCc2ccsc21 ZINC000712514933 538752097 /nfs/dbraw/zinc/75/20/97/538752097.db2.gz IVFUPIYLXDVBCS-JTQLQIEISA-N 1 0 298.209 2.479 10 0 CEAERO COc1ncc([C@H]2[NH2+]CCc3ccsc32)s1 ZINC000712541962 538752206 /nfs/dbraw/zinc/75/22/06/538752206.db2.gz HKULCLCQGRWFCX-SECBINFHSA-N 1 0 252.364 2.448 10 0 CEAERO C[NH2+]CCOCCSc1cncc(Br)c1 ZINC000757211983 574512740 /nfs/dbraw/zinc/51/27/40/574512740.db2.gz LBPQRBIGTUJWOO-UHFFFAOYSA-N 1 0 291.214 2.172 10 0 CEAERO C[C@@H]1C[C@H](C)CN(S(=O)(=O)C[C@@H]([NH3+])CC(C)(C)C)C1 ZINC000757152075 574510851 /nfs/dbraw/zinc/51/08/51/574510851.db2.gz SDAUWVPJNYEZQG-XQQFMLRXSA-N 1 0 290.473 2.058 10 0 CEAERO Cc1nn(C)c2sc([C@@H]3CC[C@@H]([NH3+])[C@@H](C)N3)cc12 ZINC000757216555 574513217 /nfs/dbraw/zinc/51/32/17/574513217.db2.gz QIASVOUDHOVFTF-IEBDPFPHSA-N 1 0 264.398 2.084 10 0 CEAERO COC[C@H](C)[NH2+]CCOc1ccc(F)cc1Cl ZINC000053586281 574577227 /nfs/dbraw/zinc/57/72/27/574577227.db2.gz WCVMAZCUARWIPK-VIFPVBQESA-N 1 0 261.724 2.482 10 0 CEAERO CC(C)(C)OC(=O)[C@H](CCCC[NH3+])[C@H]1CCOC1 ZINC000725272076 567925158 /nfs/dbraw/zinc/92/51/58/567925158.db2.gz YRBYZMPEBOTIIR-NWDGAFQWSA-N 1 0 257.374 2.110 10 0 CEAERO C[C@H](C[NH2+]C[C@H](O)COCc1ccco1)C(C)(C)C ZINC000125442872 649916186 /nfs/dbraw/zinc/91/61/86/649916186.db2.gz HZMSFASABZAMFN-OLZOCXBDSA-N 1 0 269.385 2.429 10 0 CEAERO Nc1[nH+]ccn1Cc1ccc(F)cc1Br ZINC000236347753 623362784 /nfs/dbraw/zinc/36/27/84/623362784.db2.gz GAOWVLABAMOGIE-UHFFFAOYSA-N 1 0 270.105 2.415 10 0 CEAERO C[NH+](C)CCC(=O)Nc1cccc(-c2ncco2)c1 ZINC000095436505 625473659 /nfs/dbraw/zinc/47/36/59/625473659.db2.gz JLVGKZIDIYBXII-UHFFFAOYSA-N 1 0 259.309 2.232 10 0 CEAERO CCOC(=O)c1ccc(N[C@@H](C)[C@@H]2CCC[NH2+]C2)nc1 ZINC000050163949 623328416 /nfs/dbraw/zinc/32/84/16/623328416.db2.gz VTQXZLCANWLPHK-NWDGAFQWSA-N 1 0 277.368 2.058 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)/C=C\c1ccccc1 ZINC000255200629 623348242 /nfs/dbraw/zinc/34/82/42/623348242.db2.gz VSTCSLVZRGZJJQ-KUGGDMIFSA-N 1 0 294.420 2.061 10 0 CEAERO CCOC(C[NH2+][C@@H]1CCc2c1cccc2O)OCC ZINC000093446993 623623153 /nfs/dbraw/zinc/62/31/53/623623153.db2.gz JJYILSZKARONHV-CYBMUJFWSA-N 1 0 265.353 2.368 10 0 CEAERO CC(C)c1ccc([C@H]2C[C@H]2C(=O)NCC2C[NH2+]C2)cc1 ZINC000262014844 624223059 /nfs/dbraw/zinc/22/30/59/624223059.db2.gz KUSNDHUWDORROI-HZPDHXFCSA-N 1 0 272.392 2.249 10 0 CEAERO O[C@@H](C[NH+]1CCN(C2CC2)CC1)c1cc2ccccc2o1 ZINC000044179373 624456154 /nfs/dbraw/zinc/45/61/54/624456154.db2.gz PALQPSZUFKCZHB-HNNXBMFYSA-N 1 0 286.375 2.246 10 0 CEAERO CCN1CCC[C@H]1C[N@H+](C)CC1CCC2(CC1)OCCO2 ZINC000190262366 624710541 /nfs/dbraw/zinc/71/05/41/624710541.db2.gz YXUHLYGCWVTHOO-INIZCTEOSA-N 1 0 296.455 2.336 10 0 CEAERO FC(F)Oc1ccc(NCC[C@H]2CC[NH2+]C2)nc1 ZINC000262316544 624938502 /nfs/dbraw/zinc/93/85/02/624938502.db2.gz ZSGMMHYDWPZNPI-SECBINFHSA-N 1 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BXZPDURFBSQYQE-UHFFFAOYSA-N 1 0 253.346 2.229 10 0 CEAERO C[C@H]([NH3+])[C@H]1CCCN(c2ncc(Cl)cc2F)C1 ZINC000094052568 628750432 /nfs/dbraw/zinc/75/04/32/628750432.db2.gz YKKVXYTVZCPZBA-IUCAKERBSA-N 1 0 257.740 2.438 10 0 CEAERO CCCC(=O)N[C@H]1CCC[N@H+](C[C@H]2CCC=CO2)C1 ZINC000249023627 628763348 /nfs/dbraw/zinc/76/33/48/628763348.db2.gz KPDFNAMZUAEKLB-UONOGXRCSA-N 1 0 266.385 2.060 10 0 CEAERO OCCN1CCC([NH2+][C@H]2CCCc3sccc32)CC1 ZINC000399077701 628773652 /nfs/dbraw/zinc/77/36/52/628773652.db2.gz QLYCUQKREBPOMM-AWEZNQCLSA-N 1 0 280.437 2.172 10 0 CEAERO CC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(CCO)CC1 ZINC000399157160 628781236 /nfs/dbraw/zinc/78/12/36/628781236.db2.gz DIULONDVVJAKEL-UKRRQHHQSA-N 1 0 254.418 2.002 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)C(C)(C)C ZINC000094465374 628852358 /nfs/dbraw/zinc/85/23/58/628852358.db2.gz WBYGMYCWPOMMCS-QWHCGFSZSA-N 1 0 252.402 2.160 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000094648667 628870307 /nfs/dbraw/zinc/87/03/07/628870307.db2.gz XKXJWRPKSMUFCB-VWYCJHECSA-N 1 0 278.318 2.175 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)Nc1cccc(Cl)c1 ZINC000261543017 628936573 /nfs/dbraw/zinc/93/65/73/628936573.db2.gz CPIPYMVEHQYFMW-KCJUWKMLSA-N 1 0 253.733 2.293 10 0 CEAERO Cc1ccc(C(=O)N2CC[C@H]([NH3+])[C@H]2C)cc1Cl ZINC000261546251 628937291 /nfs/dbraw/zinc/93/72/91/628937291.db2.gz GTITXDCZFMSUOQ-SKDRFNHKSA-N 1 0 252.745 2.210 10 0 CEAERO CC[C@@H](NC(=O)CC[C@@H]1CCC[NH2+]1)c1nccs1 ZINC000261571366 628938804 /nfs/dbraw/zinc/93/88/04/628938804.db2.gz KZEUZKSLGUASAS-WDEREUQCSA-N 1 0 267.398 2.243 10 0 CEAERO CC[C@H](C)c1ccc(S(=O)(=O)NC[C@H](C)[NH2+]C)cc1 ZINC000261574781 628939954 /nfs/dbraw/zinc/93/99/54/628939954.db2.gz XVFDUUDOMJBKTN-RYUDHWBXSA-N 1 0 284.425 2.086 10 0 CEAERO Clc1cncnc1NC[C@H]1[NH2+]CCc2ccccc21 ZINC000261586342 628940960 /nfs/dbraw/zinc/94/09/60/628940960.db2.gz IUVZLLPLMXKHFL-CYBMUJFWSA-N 1 0 274.755 2.429 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000261595835 628942694 /nfs/dbraw/zinc/94/26/94/628942694.db2.gz OLELEAKJXHAZCB-MFRLZJNGSA-N 1 0 262.397 2.151 10 0 CEAERO COC(=O)c1cc(Cl)cc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC000178569270 628947898 /nfs/dbraw/zinc/94/78/98/628947898.db2.gz ZCINYGBICOBMKA-GZMMTYOYSA-N 1 0 296.754 2.193 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)c1sc(-c2ccccc2)nc1C ZINC000261635044 628953508 /nfs/dbraw/zinc/95/35/08/628953508.db2.gz CTYRKBYGROYYRM-JTQLQIEISA-N 1 0 289.404 2.456 10 0 CEAERO COC[C@@]1(C(=O)N[C@@H](C)c2ccc(Cl)cc2)CC[NH2+]C1 ZINC000261657470 628964595 /nfs/dbraw/zinc/96/45/95/628964595.db2.gz DSRGWFHVVAVFJT-XHDPSFHLSA-N 1 0 296.798 2.143 10 0 CEAERO CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000237006157 629148958 /nfs/dbraw/zinc/14/89/58/629148958.db2.gz WWNWPQAXZXLJKN-BMFZPTHFSA-N 1 0 290.407 2.396 10 0 CEAERO C[C@H](C[NH3+])c1noc(COc2cccc(Cl)c2)n1 ZINC000054158504 629258503 /nfs/dbraw/zinc/25/85/03/629258503.db2.gz XPQNVCDSDIUYCF-MRVPVSSYSA-N 1 0 267.716 2.364 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000261842413 629272284 /nfs/dbraw/zinc/27/22/84/629272284.db2.gz WJVFPVMLUJMWKF-SECBINFHSA-N 1 0 292.770 2.068 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1c1nc(-c2cncs2)no1 ZINC000147421408 629586247 /nfs/dbraw/zinc/58/62/47/629586247.db2.gz DJRSFOHPSSDPLO-JGVFFNPUSA-N 1 0 250.327 2.036 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1Nc1ccc(OC(F)F)cn1 ZINC000262247421 630372910 /nfs/dbraw/zinc/37/29/10/630372910.db2.gz PSSNUVKLAHMAAE-SCZZXKLOSA-N 1 0 257.284 2.222 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cn1ncc(Cl)c1C ZINC000156747272 639387266 /nfs/dbraw/zinc/38/72/66/639387266.db2.gz OIHYWZBMARDNKS-GFCCVEGCSA-N 1 0 270.808 2.219 10 0 CEAERO CO[C@@H](c1noc(C[C@@H]([NH3+])CC(C)C)n1)C1CC1 ZINC000157209363 639460629 /nfs/dbraw/zinc/46/06/29/639460629.db2.gz AYRPHHCHORBFGY-CMPLNLGQSA-N 1 0 253.346 2.083 10 0 CEAERO CCc1cccnc1-c1noc([C@@H]2CC[C@@H]([NH3+])C2)n1 ZINC000157294540 639476915 /nfs/dbraw/zinc/47/69/15/639476915.db2.gz WEQKFAATHLPUER-GHMZBOCLSA-N 1 0 258.325 2.289 10 0 CEAERO C[NH2+]CCc1noc(-c2cc(C)cc(Cl)c2)n1 ZINC000157715394 639522630 /nfs/dbraw/zinc/52/26/30/639522630.db2.gz PUJACPWOQQJMES-UHFFFAOYSA-N 1 0 251.717 2.460 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1cc(Cl)nc(Cl)c1 ZINC000157769617 639523226 /nfs/dbraw/zinc/52/32/26/639523226.db2.gz PHCMPSZCVWBZEI-APPZFPTMSA-N 1 0 288.178 2.246 10 0 CEAERO C[C@H]1C[N@H+](C[C@@](C)(O)c2ccccc2)CC(C)(C)O1 ZINC000226150571 639526890 /nfs/dbraw/zinc/52/68/90/639526890.db2.gz ZBHQYEMYRHILBR-XJKSGUPXSA-N 1 0 263.381 2.393 10 0 CEAERO Cc1cc2c(ncnc2N2CC[C@@H]([NH3+])[C@@H](C)C2)s1 ZINC000227076477 639572723 /nfs/dbraw/zinc/57/27/23/639572723.db2.gz RPAQJHJLOGTBKS-GZMMTYOYSA-N 1 0 262.382 2.173 10 0 CEAERO CO[C@H](c1noc(-c2ccc3c(c2)C[NH2+]C3)n1)C1CC1 ZINC000227331562 639584557 /nfs/dbraw/zinc/58/45/57/639584557.db2.gz MUWRRBHPAXWDSH-ZDUSSCGKSA-N 1 0 271.320 2.437 10 0 CEAERO CO[C@@H](c1noc([C@H](C[NH3+])c2ccccc2)n1)C1CC1 ZINC000227330530 639584914 /nfs/dbraw/zinc/58/49/14/639584914.db2.gz LYMCZJGPMBRVRC-CHWSQXEVSA-N 1 0 273.336 2.258 10 0 CEAERO C[C@H]([NH3+])C[C@H](C)Nc1ccccc1S(=O)(=O)C(F)F ZINC000228270095 639627152 /nfs/dbraw/zinc/62/71/52/639627152.db2.gz HHQJLULFLDEYNL-IUCAKERBSA-N 1 0 292.351 2.221 10 0 CEAERO C[C@@H]([NH3+])C[C@H](C)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000228268742 639627201 /nfs/dbraw/zinc/62/72/01/639627201.db2.gz MYLHTPHYZRHIHH-BDAKNGLRSA-N 1 0 292.351 2.221 10 0 CEAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)N3CCCCC3)CC[C@H]21 ZINC000228312146 639630046 /nfs/dbraw/zinc/63/00/46/639630046.db2.gz LEYIEPRNFNQOQD-ZIAGYGMSSA-N 1 0 265.401 2.008 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@H](C)[C@H](C)[NH3+])cc1F ZINC000228620013 639648640 /nfs/dbraw/zinc/64/86/40/639648640.db2.gz LUYOXOIZDBIRTP-VWYCJHECSA-N 1 0 252.333 2.295 10 0 CEAERO C[C@@H]([NH2+]C[C@@H](O)c1ccc2ccccc2c1)[C@H](C)CO ZINC000228726745 639655995 /nfs/dbraw/zinc/65/59/95/639655995.db2.gz NBOLROKLXYDOEN-PBFPGSCMSA-N 1 0 273.376 2.480 10 0 CEAERO CCOc1ccc(C[N@@H+]2C[C@H](C)[C@@H](C(=O)OC)C2)cc1 ZINC000228755753 639657288 /nfs/dbraw/zinc/65/72/88/639657288.db2.gz NUBKUWZYPLRXPH-WFASDCNBSA-N 1 0 277.364 2.326 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cccc2cccnc21 ZINC000229586350 639707941 /nfs/dbraw/zinc/70/79/41/639707941.db2.gz OLSAQJCKPJTGPQ-RISCZKNCSA-N 1 0 269.348 2.105 10 0 CEAERO CC/C(C)=C\CC[N@@H+]1CCN(C)[C@@]2(C1)CCNC(=O)CC2 ZINC000229886781 639723427 /nfs/dbraw/zinc/72/34/27/639723427.db2.gz PIDXYYASSVBDIH-MISIWFIQSA-N 1 0 293.455 2.019 10 0 CEAERO Cc1cc(C)c(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])c(C)c1 ZINC000061883217 639727220 /nfs/dbraw/zinc/72/72/20/639727220.db2.gz FGTLOTDHSSKOPM-KGLIPLIRSA-N 1 0 260.381 2.469 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1cccc2cccnc21 ZINC000061883749 639727284 /nfs/dbraw/zinc/72/72/84/639727284.db2.gz YXHZCNWGNFDWNN-JSGCOSHPSA-N 1 0 269.348 2.092 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)Nc1ccc(F)cc1 ZINC000061884360 639727411 /nfs/dbraw/zinc/72/74/11/639727411.db2.gz UVMXTVXUIVGHTJ-BXKDBHETSA-N 1 0 251.305 2.075 10 0 CEAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CCO1 ZINC000230167329 639743022 /nfs/dbraw/zinc/74/30/22/639743022.db2.gz HGPYPYGRDBLBMR-HZSPNIEDSA-N 1 0 298.427 2.401 10 0 CEAERO c1nn(CN2CC[N@@H+]3CCC[C@@H]3C2)cc1-c1ccccc1 ZINC000172502380 639770261 /nfs/dbraw/zinc/77/02/61/639770261.db2.gz ZMTVWPLHJIPGPV-QGZVFWFLSA-N 1 0 282.391 2.288 10 0 CEAERO CC(C)C1CCN(C(=O)[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000232534087 639930253 /nfs/dbraw/zinc/93/02/53/639930253.db2.gz OOPCBYWCIUAJJF-OCCSQVGLSA-N 1 0 252.402 2.269 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1Cc1ccc(Br)cc1 ZINC000261533818 640046118 /nfs/dbraw/zinc/04/61/18/640046118.db2.gz LHPOYBZQFHCKGW-SKDRFNHKSA-N 1 0 269.186 2.371 10 0 CEAERO COC(=O)Cc1ccccc1C[N@@H+]1CCS[C@@H](C)C1 ZINC000152450592 640236725 /nfs/dbraw/zinc/23/67/25/640236725.db2.gz VRQICPPXMXDFOV-LBPRGKRZSA-N 1 0 279.405 2.339 10 0 CEAERO Cc1ccnc(-c2noc([C@@H]3CCC[C@@H]3C[NH3+])n2)c1 ZINC000089431310 640431162 /nfs/dbraw/zinc/43/11/62/640431162.db2.gz NUDBVMDCYXRWDK-GHMZBOCLSA-N 1 0 258.325 2.282 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cn1nccc1-c1cccnc1 ZINC000153232953 640437716 /nfs/dbraw/zinc/43/77/16/640437716.db2.gz ZWABBDOZOYHPOS-GDBMZVCRSA-N 1 0 297.406 2.071 10 0 CEAERO CCCCC[C@@H](C)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170861844 641372572 /nfs/dbraw/zinc/37/25/72/641372572.db2.gz NLDYXZXTUIUTQX-OLZOCXBDSA-N 1 0 255.406 2.301 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1sccc1OC(F)F ZINC000238006509 641415617 /nfs/dbraw/zinc/41/56/17/641415617.db2.gz KYVPBLHXLVGSOQ-YUMQZZPRSA-N 1 0 290.335 2.207 10 0 CEAERO COC(=O)C[C@H]([NH3+])c1ccsc1Br ZINC000238363521 641474493 /nfs/dbraw/zinc/47/44/93/641474493.db2.gz HEYIRIZGPGPIGM-LURJTMIESA-N 1 0 264.144 2.074 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@H](C)Cc2cccc(F)c2)C1 ZINC000252739366 641583968 /nfs/dbraw/zinc/58/39/68/641583968.db2.gz HBJQTPDZTXNSOH-CJNGLKHVSA-N 1 0 280.387 2.067 10 0 CEAERO [NH3+]CC[C@H]1CCCCN1S(=O)(=O)/C=C/c1ccccc1 ZINC000070149385 641636738 /nfs/dbraw/zinc/63/67/38/641636738.db2.gz CSQSBSKJZJKRMF-NRMKIYEFSA-N 1 0 294.420 2.190 10 0 CEAERO C[C@@H]([NH2+]CC(=O)NC1CCCCCCC1)[C@@H]1CCCO1 ZINC000183168558 641716868 /nfs/dbraw/zinc/71/68/68/641716868.db2.gz XZWRKLQMHCRBLR-HIFRSBDPSA-N 1 0 282.428 2.373 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]2CN(c3ncccc3Br)C[C@@H]21 ZINC000230133374 642565186 /nfs/dbraw/zinc/56/51/86/642565186.db2.gz OBHDJNDXSOCLNG-JFGNBEQYSA-N 1 0 296.212 2.408 10 0 CEAERO C[NH+](C)[C@H]1CCN(Cn2ccc(-c3ccccc3)n2)C1 ZINC000109316341 642696690 /nfs/dbraw/zinc/69/66/90/642696690.db2.gz LPHVBJSOCPKNFP-HNNXBMFYSA-N 1 0 270.380 2.144 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)COC2CC[NH2+]CC2)c(C)c1 ZINC000111796049 643959008 /nfs/dbraw/zinc/95/90/08/643959008.db2.gz GXKLYJCWYIPAMD-CQSZACIVSA-N 1 0 290.407 2.249 10 0 CEAERO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)n1ccnc1 ZINC000123450308 648990657 /nfs/dbraw/zinc/99/06/57/648990657.db2.gz FNVQSHZDNFRQDK-OAHLLOKOSA-N 1 0 284.363 2.278 10 0 CEAERO C[C@H]([NH2+]CC[S@@](C)=O)c1cccc(Br)c1 ZINC000128674570 651535443 /nfs/dbraw/zinc/53/54/43/651535443.db2.gz LAQRFZNSFDMOMQ-VFZGTOFNSA-N 1 0 290.226 2.478 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(Cl)nc1 ZINC000131104941 652379798 /nfs/dbraw/zinc/37/97/98/652379798.db2.gz BVDNGHRZCSZVLC-WPRPVWTQSA-N 1 0 253.733 2.049 10 0 CEAERO CCN(CC)C(=O)C[NH2+][C@H](C)c1c(C)nn(CC)c1C ZINC000135130304 652935589 /nfs/dbraw/zinc/93/55/89/652935589.db2.gz SMTUSYUTZQYGNS-LLVKDONJSA-N 1 0 280.416 2.039 10 0 CEAERO Fc1c(Cl)cccc1C[N+]12CCN(CC1)CC2 ZINC000191698008 717157530 /nfs/dbraw/zinc/15/75/30/717157530.db2.gz MEZFPTWVWVZWPL-UHFFFAOYSA-N 1 0 255.744 2.125 10 0 CEAERO CCC[NH2+][C@@H]1CCC[C@H]1S(=O)(=O)C1CCCC1 ZINC000081988517 177914520 /nfs/dbraw/zinc/91/45/20/177914520.db2.gz HJMVQMIDTYFABO-CHWSQXEVSA-N 1 0 259.415 2.265 10 0 CEAERO Cc1cc(NC(=O)CCC2CC[NH+](C)CC2)no1 ZINC000082339420 177969956 /nfs/dbraw/zinc/96/99/56/177969956.db2.gz DCOXBRMBJZNFOF-UHFFFAOYSA-N 1 0 251.330 2.044 10 0 CEAERO [NH3+][C@@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000082456780 178034221 /nfs/dbraw/zinc/03/42/21/178034221.db2.gz QRCKZRWIRPIZFS-KOLCDFICSA-N 1 0 256.143 2.485 10 0 CEAERO COCCCC[N@@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121128020 365525698 /nfs/dbraw/zinc/52/56/98/365525698.db2.gz GPJWYWCZZAFTDS-SWLSCSKDSA-N 1 0 285.334 2.499 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(Br)cc1 ZINC000082558836 178095301 /nfs/dbraw/zinc/09/53/01/178095301.db2.gz JIJYHIIQAWCTLL-KCJUWKMLSA-N 1 0 283.169 2.243 10 0 CEAERO Brc1ccc(C[C@H]2CCC[NH2+]C2)nc1 ZINC000095826842 185029054 /nfs/dbraw/zinc/02/90/54/185029054.db2.gz UYSBANGESHKWRN-SECBINFHSA-N 1 0 255.159 2.386 10 0 CEAERO CCC[NH2+]CCCSc1nnc(N(C)C)s1 ZINC000082580158 178119281 /nfs/dbraw/zinc/11/92/81/178119281.db2.gz KRUIYJMHMFUBJO-UHFFFAOYSA-N 1 0 260.432 2.086 10 0 CEAERO CCOc1ccc(NC(=O)[C@H]2CCC[NH2+]C2)cc1F ZINC000082623126 178137904 /nfs/dbraw/zinc/13/79/04/178137904.db2.gz JTUUMJVUFSTEBN-JTQLQIEISA-N 1 0 266.316 2.163 10 0 CEAERO C[C@H]1C[C@H]1CN(C)Cc1[nH+]c(NN)ccc1Cl ZINC000082650045 178141606 /nfs/dbraw/zinc/14/16/06/178141606.db2.gz JBENRDNEFCKQCR-IUCAKERBSA-N 1 0 254.765 2.108 10 0 CEAERO Brc1cnc(OCC[C@@H]2CCCC[NH2+]2)nc1 ZINC000082662708 178151716 /nfs/dbraw/zinc/15/17/16/178151716.db2.gz USIVTGXOFIKORW-JTQLQIEISA-N 1 0 286.173 2.150 10 0 CEAERO Cc1cc([C@H](C)NC(=O)C2([NH3+])CCOCC2)c(C)s1 ZINC000127772921 187331829 /nfs/dbraw/zinc/33/18/29/187331829.db2.gz FPPNWNPUGBPQBA-JTQLQIEISA-N 1 0 282.409 2.050 10 0 CEAERO C[C@H](NCc1ccn(Cc2ccccc2)n1)[C@H]1CCC[NH2+]C1 ZINC000567640452 299070321 /nfs/dbraw/zinc/07/03/21/299070321.db2.gz JPJSXWWJKGTOEG-RDJZCZTQSA-N 1 0 298.434 2.409 10 0 CEAERO [NH3+][C@H](C[S@@](=O)c1ccc(Br)cc1)C1CC1 ZINC000082747117 178268809 /nfs/dbraw/zinc/26/88/09/178268809.db2.gz GXLRMDYVIUIWMR-ABAIWWIYSA-N 1 0 288.210 2.294 10 0 CEAERO C[C@H]1CC(F)(F)CCN1C(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000638632910 370645764 /nfs/dbraw/zinc/64/57/64/370645764.db2.gz YPVHNUDIAZPSRC-GARJFASQSA-N 1 0 260.328 2.021 10 0 CEAERO C[C@H](C[C@](C)(O)C[NH3+])Sc1ccc(Cl)cn1 ZINC000082917632 178329525 /nfs/dbraw/zinc/32/95/25/178329525.db2.gz QFFKZEXHANQEHM-KCJUWKMLSA-N 1 0 260.790 2.315 10 0 CEAERO C[C@@]([NH3+])(CO)CCCSc1ccc(Cl)cn1 ZINC000082905444 178329589 /nfs/dbraw/zinc/32/95/89/178329589.db2.gz NXBDWTIGGJFCCD-NSHDSACASA-N 1 0 260.790 2.317 10 0 CEAERO CC(C)[NH2+][C@@H](CO)CSc1ccc(Cl)cn1 ZINC000082905423 178329672 /nfs/dbraw/zinc/32/96/72/178329672.db2.gz PICSSMWXHJPDGR-JTQLQIEISA-N 1 0 260.790 2.186 10 0 CEAERO C[C@@]([NH3+])(CO)CCSc1ccc(Br)cn1 ZINC000082905398 178329696 /nfs/dbraw/zinc/32/96/96/178329696.db2.gz MVZJGHWJEWPBOT-JTQLQIEISA-N 1 0 291.214 2.036 10 0 CEAERO O[C@@H]1CC[C@H]2C[N@H+](Cc3cncc(Cl)c3)C[C@H]2C1 ZINC000621301945 349553432 /nfs/dbraw/zinc/55/34/32/349553432.db2.gz MDBQMHCAIIYZGI-OUCADQQQSA-N 1 0 266.772 2.328 10 0 CEAERO COc1ccc(-c2nc(C)cc(NN)[nH+]2)cc1Cl ZINC000083188658 178352827 /nfs/dbraw/zinc/35/28/27/178352827.db2.gz UNXCNCJKEBEXRK-UHFFFAOYSA-N 1 0 264.716 2.400 10 0 CEAERO CC(C)[C@H]1CN(CCc2ccccc2F)CC[NH2+]1 ZINC000083383536 178386353 /nfs/dbraw/zinc/38/63/53/178386353.db2.gz PZXBTQFBDMAZCM-OAHLLOKOSA-N 1 0 250.361 2.298 10 0 CEAERO COc1ccc([C@@H](C)[NH2+]CCC2OCCO2)cc1OC ZINC000125413584 187183768 /nfs/dbraw/zinc/18/37/68/187183768.db2.gz FPBOLFWXMFJRND-LLVKDONJSA-N 1 0 281.352 2.117 10 0 CEAERO COc1cc(N(C)CC[NH3+])c(OC)cc1C(C)C ZINC000096890347 185123571 /nfs/dbraw/zinc/12/35/71/185123571.db2.gz CMGHVCTVKRHFBW-UHFFFAOYSA-N 1 0 252.358 2.222 10 0 CEAERO CCS(=O)(=O)c1ccc([C@@H](C)CCC[NH3+])cc1 ZINC000096890955 185123859 /nfs/dbraw/zinc/12/38/59/185123859.db2.gz BHGAVGLIAKKBIB-NSHDSACASA-N 1 0 255.383 2.323 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](O)c1cc(Br)ccc1F ZINC000036779130 361857070 /nfs/dbraw/zinc/85/70/70/361857070.db2.gz YZXVMQXSMQCSMU-ZJUUUORDSA-N 1 0 262.122 2.359 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc(OC)c(F)c1 ZINC000037032608 361889917 /nfs/dbraw/zinc/88/99/17/361889917.db2.gz VSICZIQIUDOUEL-CABZTGNLSA-N 1 0 268.332 2.139 10 0 CEAERO [NH3+][C@@H]1CCN(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000096940018 185134000 /nfs/dbraw/zinc/13/40/00/185134000.db2.gz YQWQUEDCZQSVOF-OAHLLOKOSA-N 1 0 296.370 2.439 10 0 CEAERO CC[N@H+](CC(=O)NC(C)C)Cc1cc(C)c(O)c(C)c1 ZINC000096942645 185134019 /nfs/dbraw/zinc/13/40/19/185134019.db2.gz HIDOOVGRXRHFFD-UHFFFAOYSA-N 1 0 278.396 2.356 10 0 CEAERO [NH3+][C@H]1CCC(=O)Nc2ccc(Br)cc21 ZINC000096958285 185141906 /nfs/dbraw/zinc/14/19/06/185141906.db2.gz MNYFWBQINGNVKA-QMMMGPOBSA-N 1 0 255.115 2.181 10 0 CEAERO Cn1cnc([C@H]([NH3+])Cc2ccccc2Br)c1 ZINC000096978555 185145842 /nfs/dbraw/zinc/14/58/42/185145842.db2.gz KXVFIUXGBRUACU-LLVKDONJSA-N 1 0 280.169 2.425 10 0 CEAERO C[N@@H+]1CCC[C@]2(C[C@@H](O)c3ccc(F)cc3O2)C1 ZINC000097005312 185150933 /nfs/dbraw/zinc/15/09/33/185150933.db2.gz BKRRGMFRMYBNIL-OCCSQVGLSA-N 1 0 251.301 2.106 10 0 CEAERO C[C@@]1(c2cncn2CCc2cccs2)CC[NH2+]C1 ZINC000097011661 185151767 /nfs/dbraw/zinc/15/17/67/185151767.db2.gz PQUQLPLNZIQQMM-CQSZACIVSA-N 1 0 261.394 2.438 10 0 CEAERO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](O)C2)cc1F ZINC000037758157 361930499 /nfs/dbraw/zinc/93/04/99/361930499.db2.gz DAHKYIBIWJHHQA-VXGBXAGGSA-N 1 0 253.317 2.227 10 0 CEAERO CN(Cc1ccc(F)cc1)C(=O)C[NH2+]C1CCCC1 ZINC000037847099 361953754 /nfs/dbraw/zinc/95/37/54/361953754.db2.gz CCOQWJAGRTUMEQ-UHFFFAOYSA-N 1 0 264.344 2.316 10 0 CEAERO CC[C@H](C)[NH2+]CC1=CC2=CC=C[C@@H]3CCN(C1=O)[C@H]23 ZINC000039287401 361987428 /nfs/dbraw/zinc/98/74/28/361987428.db2.gz LWOHGWJFLOUWPI-ZOWXZIJZSA-N 1 0 258.365 2.028 10 0 CEAERO CCOc1ccc2c(c1)cc(C[NH2+]C(C)C)c(=O)n2C ZINC000039288610 361988013 /nfs/dbraw/zinc/98/80/13/361988013.db2.gz BJFFBBGUTWSVTG-UHFFFAOYSA-N 1 0 274.364 2.435 10 0 CEAERO CCc1nn(C)cc1CN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000125523855 187189419 /nfs/dbraw/zinc/18/94/19/187189419.db2.gz QXKYWTPJMLMVNB-UKRRQHHQSA-N 1 0 278.444 2.383 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1nccnc1C ZINC000621718981 349676081 /nfs/dbraw/zinc/67/60/81/349676081.db2.gz YXZHBINTGBMVQZ-CABCVRRESA-N 1 0 274.412 2.234 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1nccnc1C ZINC000621718983 349676827 /nfs/dbraw/zinc/67/68/27/349676827.db2.gz YXZHBINTGBMVQZ-HUUCEWRRSA-N 1 0 274.412 2.234 10 0 CEAERO [NH3+][C@H]1C[C@@]12CNc1cc(Cl)c(Br)cc12 ZINC000725247202 539192274 /nfs/dbraw/zinc/19/22/74/539192274.db2.gz JZKHPJWYGMQCFK-UWVGGRQHSA-N 1 0 273.561 2.497 10 0 CEAERO CCc1cc(Br)cc2c1NC[C@@]21C[C@@H]1[NH3+] ZINC000725247822 539192615 /nfs/dbraw/zinc/19/26/15/539192615.db2.gz ZQBSQBCRIXWFJW-JQWIXIFHSA-N 1 0 267.170 2.406 10 0 CEAERO Cc1nccc(C[NH2+][C@H]2CCc3ccccc3C2)n1 ZINC000037997823 282184747 /nfs/dbraw/zinc/18/47/47/282184747.db2.gz VLGBDVXZQMMASU-HNNXBMFYSA-N 1 0 253.349 2.432 10 0 CEAERO CCC[C@H]([NH2+]CC)[C@@H](CC)n1cc(S(C)(=O)=O)cn1 ZINC000725253221 539199429 /nfs/dbraw/zinc/19/94/29/539199429.db2.gz RIOLHXNJNFKWSB-QWHCGFSZSA-N 1 0 287.429 2.016 10 0 CEAERO CCCCNC(=O)N1CC[C@H]([NH3+])[C@@H](C(F)(F)F)CC1 ZINC000725262649 539211178 /nfs/dbraw/zinc/21/11/78/539211178.db2.gz JQKFAHLVPLPNRB-UWVGGRQHSA-N 1 0 281.322 2.098 10 0 CEAERO CCCC(=O)N1CC[C@@H]2CC[C@@]21[C@@H]1CCC[NH2+]C1 ZINC000725263546 539212335 /nfs/dbraw/zinc/21/23/35/539212335.db2.gz OUGMPJZKDLMURK-GUTXKFCHSA-N 1 0 250.386 2.167 10 0 CEAERO C[NH2+][C@@H]1C[C@H](C(C)C)CC[C@H]1S(=O)(=O)C(C)C ZINC000725265951 539213431 /nfs/dbraw/zinc/21/34/31/539213431.db2.gz ABLJLQOTGOLVPM-JHJVBQTASA-N 1 0 261.431 2.222 10 0 CEAERO C[NH2+][C@@H]1C[C@H](C(C)C)CC[C@@H]1S(=O)(=O)C(C)C ZINC000725265954 539213446 /nfs/dbraw/zinc/21/34/46/539213446.db2.gz ABLJLQOTGOLVPM-UPJWGTAASA-N 1 0 261.431 2.222 10 0 CEAERO CC(C)[C@H]1C[C@H]2CC[C@H]([NH+]3CCOCC3)[C@@H](C1)C2=O ZINC000725268142 539214309 /nfs/dbraw/zinc/21/43/09/539214309.db2.gz BUZQEYQWPIFRQI-BARDWOONSA-N 1 0 265.397 2.349 10 0 CEAERO CC(C)(C)OC(=O)N[C@@H]1CCSC2(CC([NH3+])C2)C1 ZINC000725271225 539215480 /nfs/dbraw/zinc/21/54/80/539215480.db2.gz ALPFJOLFSVCOFN-RUETXSTFSA-N 1 0 272.414 2.267 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)C2CC2)C1 ZINC000152200807 282199179 /nfs/dbraw/zinc/19/91/79/282199179.db2.gz LHBVEHZNUOUJIS-CVEARBPZSA-N 1 0 272.392 2.343 10 0 CEAERO C[C@H](NC(=O)CC1([NH3+])CC1)c1ccc(Cl)s1 ZINC000398026885 539252110 /nfs/dbraw/zinc/25/21/10/539252110.db2.gz HRRWHJGIDGQZLY-ZETCQYMHSA-N 1 0 258.774 2.460 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CC[C@H]1CCOC1 ZINC000300420444 539250182 /nfs/dbraw/zinc/25/01/82/539250182.db2.gz JIIULZUPHIFAPE-XHSDSOJGSA-N 1 0 266.429 2.362 10 0 CEAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCCC2(C)C)C1 ZINC000334459935 282204052 /nfs/dbraw/zinc/20/40/52/282204052.db2.gz TZFLMAAWTMZCQK-VXGBXAGGSA-N 1 0 253.390 2.053 10 0 CEAERO CCC[C@H](C(=O)Nc1cccc(C)c1O)[NH+](C)C ZINC000132311289 539265634 /nfs/dbraw/zinc/26/56/34/539265634.db2.gz GVCNCRWWZFIVSC-GFCCVEGCSA-N 1 0 250.342 2.369 10 0 CEAERO c1ccc2c(c1)C=C(c1noc(C3CC[NH2+]CC3)n1)CO2 ZINC000041166666 362024410 /nfs/dbraw/zinc/02/44/10/362024410.db2.gz NNTPTTHFCATBOL-UHFFFAOYSA-N 1 0 283.331 2.470 10 0 CEAERO C[C@@H]1C[C@H]([NH3+])c2cc(Br)ccc2[S@@]1=O ZINC000040976818 362010078 /nfs/dbraw/zinc/01/00/78/362010078.db2.gz QCPDGRFNHXEZRE-MIBRVMSUSA-N 1 0 274.183 2.349 10 0 CEAERO COC(=O)C[C@@H]([NH3+])c1ccc(Br)cc1F ZINC000036670199 343423657 /nfs/dbraw/zinc/42/36/57/343423657.db2.gz GDYZFUYWCOOSBV-SECBINFHSA-N 1 0 276.105 2.151 10 0 CEAERO COc1cccc(Cc2ccccc2[C@@H](O)C[NH3+])c1OC ZINC000034125827 343419139 /nfs/dbraw/zinc/41/91/39/343419139.db2.gz XTZRDHGYLDUCFG-HNNXBMFYSA-N 1 0 287.359 2.287 10 0 CEAERO CCOC(=O)C(C)(C)[C@@H]([NH3+])Cc1cccc(OC)c1 ZINC000034572169 343420803 /nfs/dbraw/zinc/42/08/03/343420803.db2.gz BUKOXOOECMFPCA-ZDUSSCGKSA-N 1 0 265.353 2.154 10 0 CEAERO Cc1nn(C)c(C)c1C[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000341494506 282261179 /nfs/dbraw/zinc/26/11/79/282261179.db2.gz XJLKPHAYMMBBQR-GHMZBOCLSA-N 1 0 265.401 2.330 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccccc2C(F)(F)F)C1 ZINC000170856459 282264326 /nfs/dbraw/zinc/26/43/26/282264326.db2.gz FYCWCPXHSMZHMN-JTQLQIEISA-N 1 0 286.297 2.482 10 0 CEAERO COc1ccc(C[NH2+][C@@H]2CCC[C@H](O)C2)cc1OC ZINC000037164297 343426242 /nfs/dbraw/zinc/42/62/42/343426242.db2.gz DDUCQIYMZVLJLT-OLZOCXBDSA-N 1 0 265.353 2.097 10 0 CEAERO [NH3+]C1CCC(C(=O)NCCc2ccccc2F)CC1 ZINC000037622989 343429750 /nfs/dbraw/zinc/42/97/50/343429750.db2.gz FNKUVMLVFVUESA-UHFFFAOYSA-N 1 0 264.344 2.002 10 0 CEAERO CC(=O)Nc1cccc(NC(=O)C2CCC([NH3+])CC2)c1 ZINC000037623319 343430173 /nfs/dbraw/zinc/43/01/73/343430173.db2.gz HRKIAAKHRQPPSE-UHFFFAOYSA-N 1 0 275.352 2.101 10 0 CEAERO CCOCc1ccccc1CNC(=O)C1CCC([NH3+])CC1 ZINC000037762402 343430193 /nfs/dbraw/zinc/43/01/93/343430193.db2.gz IGBCUQBBRCAEIS-UHFFFAOYSA-N 1 0 290.407 2.357 10 0 CEAERO c1ccc(OCC[NH2+]C[C@H]2COc3ccccc3O2)cc1 ZINC000038352501 343434093 /nfs/dbraw/zinc/43/40/93/343434093.db2.gz SEVMYASGWWEGRG-HNNXBMFYSA-N 1 0 285.343 2.495 10 0 CEAERO O[C@H]1CCC[C@H]([NH2+]Cc2c[nH]nc2-c2ccccc2)C1 ZINC000041640515 343442132 /nfs/dbraw/zinc/44/21/32/343442132.db2.gz IHCGNCKPWHMWCX-GJZGRUSLSA-N 1 0 271.364 2.470 10 0 CEAERO O[C@H](COCc1ccccc1)C[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000336710776 365773967 /nfs/dbraw/zinc/77/39/67/365773967.db2.gz KVRBJFDPNWUHQK-OWCLPIDISA-N 1 0 261.365 2.048 10 0 CEAERO CO[C@@H](C)C[N@H+](C[C@@H](O)COCc1ccccc1)C(C)C ZINC000336716375 365779591 /nfs/dbraw/zinc/77/95/91/365779591.db2.gz PEDNUPVSKMTQTJ-DOTOQJQBSA-N 1 0 295.423 2.309 10 0 CEAERO CC[C@@H]1CN(Cc2ccc3c(c2)OCO3)[C@H](CC)C[NH2+]1 ZINC000083548494 178577012 /nfs/dbraw/zinc/57/70/12/178577012.db2.gz GYUHRXPVTKFWNI-ZIAGYGMSSA-N 1 0 276.380 2.378 10 0 CEAERO c1ccc2c(c1)ccnc2N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000082765846 539358498 /nfs/dbraw/zinc/35/84/98/539358498.db2.gz GUNFEVVOYGFOKV-MRXNPFEDSA-N 1 0 253.349 2.425 10 0 CEAERO C[C@H](C[NH3+])[C@H](O)c1cc(F)cc(Br)c1 ZINC000083563730 178581311 /nfs/dbraw/zinc/58/13/11/178581311.db2.gz GQBWSZXCBUMJCQ-LDWIPMOCSA-N 1 0 262.122 2.216 10 0 CEAERO CCOC(=O)c1cccc(NC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)c1 ZINC000126971842 187273676 /nfs/dbraw/zinc/27/36/76/187273676.db2.gz KERKZXYEWOVCHW-RISCZKNCSA-N 1 0 290.363 2.190 10 0 CEAERO Cn1cc([C@@H]([NH3+])Cc2ccc(Br)s2)cn1 ZINC000083572615 178583006 /nfs/dbraw/zinc/58/30/06/178583006.db2.gz WUOGMGXAISIAAH-VIFPVBQESA-N 1 0 286.198 2.487 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)NCc1ccccc1Br ZINC000083604913 178612852 /nfs/dbraw/zinc/61/28/52/178612852.db2.gz JLUSEOVSZHXYIU-VIFPVBQESA-N 1 0 285.185 2.050 10 0 CEAERO CCC[NH2+][C@@H]1CCN(c2ccc(Br)cn2)C1 ZINC000117099088 344288193 /nfs/dbraw/zinc/28/81/93/344288193.db2.gz FYPWVGSEROJEHT-LLVKDONJSA-N 1 0 284.201 2.422 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nc(C)cc(C)n1 ZINC000128045666 344333606 /nfs/dbraw/zinc/33/36/06/344333606.db2.gz NKBKIJMWMNJJLN-ZIAGYGMSSA-N 1 0 260.385 2.156 10 0 CEAERO COC(=O)c1csc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000602472192 347046448 /nfs/dbraw/zinc/04/64/48/347046448.db2.gz OXUXDXZEYHBUKM-YPMHNXCESA-N 1 0 294.420 2.203 10 0 CEAERO C[C@@H]1CCC[C@H](CCNC(=O)C(C)(C)N2CC[NH2+]CC2)C1 ZINC000129759503 344346787 /nfs/dbraw/zinc/34/67/87/344346787.db2.gz XZVXPUAMESWIJE-HUUCEWRRSA-N 1 0 295.471 2.003 10 0 CEAERO C[C@@H]([NH3+])C[C@@H](O)c1cc(Br)ccc1F ZINC000132364104 344363404 /nfs/dbraw/zinc/36/34/04/344363404.db2.gz ZECJCEORLADNOO-LHLIQPBNSA-N 1 0 262.122 2.359 10 0 CEAERO CSCCCCNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000153656025 344430299 /nfs/dbraw/zinc/43/02/99/344430299.db2.gz WJTNWTJRSZZGMW-ZDUSSCGKSA-N 1 0 285.457 2.009 10 0 CEAERO CC(C)[C@H]([NH3+])CCN(C)c1ncnc2ccccc21 ZINC000133601412 344369754 /nfs/dbraw/zinc/36/97/54/344369754.db2.gz LDIYRPZMDWQFOY-CYBMUJFWSA-N 1 0 258.369 2.439 10 0 CEAERO COc1ccc2c(c1OC)CCO[C@H]2C[NH2+]C(C)C ZINC000146701619 344410587 /nfs/dbraw/zinc/41/05/87/344410587.db2.gz AGUOGARRXQPGTN-AWEZNQCLSA-N 1 0 265.353 2.316 10 0 CEAERO C[C@@H]([NH3+])[C@@H](O)c1ccc(Br)cc1Cl ZINC000161040548 344463149 /nfs/dbraw/zinc/46/31/49/344463149.db2.gz LTRYGYQQHNPGAV-MLUIRONXSA-N 1 0 264.550 2.483 10 0 CEAERO Cc1csc([C@H]2CNC(=[NH2+])N2Cc2ccccc2)n1 ZINC000163007430 344469318 /nfs/dbraw/zinc/46/93/18/344469318.db2.gz XHAGORJSCZZWNO-GFCCVEGCSA-N 1 0 272.377 2.323 10 0 CEAERO C[C@@H]1C[C@@H]([NH3+])CCN1c1nc(Br)cs1 ZINC000169027602 344481077 /nfs/dbraw/zinc/48/10/77/344481077.db2.gz IIQSENAUICWUGI-RQJHMYQMSA-N 1 0 276.203 2.222 10 0 CEAERO CNC(=O)N1CCC([C@H]2CC[N@H+](Cc3ccco3)C2)CC1 ZINC000169789089 344482864 /nfs/dbraw/zinc/48/28/64/344482864.db2.gz SUTXEPNKDSBQCU-AWEZNQCLSA-N 1 0 291.395 2.153 10 0 CEAERO O=C(C1CC1)N1CCC[C@H](C[NH+]2CCCC2)CC1 ZINC000169792465 344483058 /nfs/dbraw/zinc/48/30/58/344483058.db2.gz NFSIGWXMSQOKAU-ZDUSSCGKSA-N 1 0 250.386 2.121 10 0 CEAERO COc1ccc2nc(N3CC[C@@H]([NH+](C)C)C3)ccc2c1 ZINC000170844036 344491642 /nfs/dbraw/zinc/49/16/42/344491642.db2.gz WNTIBIQBTUABCW-CYBMUJFWSA-N 1 0 271.364 2.384 10 0 CEAERO CCCC[C@@H]([NH3+])C(=O)N1CCC(C2CCOCC2)CC1 ZINC000195554775 344522169 /nfs/dbraw/zinc/52/21/69/344522169.db2.gz DORSVABKAOJVMC-OAHLLOKOSA-N 1 0 282.428 2.169 10 0 CEAERO COC[C@@H]([NH3+])C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000221783061 344539931 /nfs/dbraw/zinc/53/99/31/344539931.db2.gz ZGMPOCLHQQAXOW-QGZVFWFLSA-N 1 0 298.386 2.189 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CC2)[C@H](F)C1 ZINC000223650803 344543290 /nfs/dbraw/zinc/54/32/90/344543290.db2.gz SVPOAIXSYHYJCJ-GHMZBOCLSA-N 1 0 258.337 2.086 10 0 CEAERO [O-][N+]1=C(c2cc3ccccc3o2)C=[N+](O)[C@@H]2CCCC[C@H]21 ZINC000225405344 344545499 /nfs/dbraw/zinc/54/54/99/344545499.db2.gz YZVDZNRXOFZKOJ-CHWSQXEVSA-N 1 0 286.331 2.421 10 0 CEAERO CS[C@H]1CCC[C@H](NC(=O)C2CCC([NH3+])CC2)C1 ZINC000225504324 344545803 /nfs/dbraw/zinc/54/58/03/344545803.db2.gz VCRKSLZVQBBGDG-TYUFSLCMSA-N 1 0 270.442 2.294 10 0 CEAERO C[C@](O)(C[C@@H]1CCCC[NH2+]1)C(F)(F)Br ZINC000225664701 344547463 /nfs/dbraw/zinc/54/74/63/344547463.db2.gz RPLMUNUGPWJVLG-YUMQZZPRSA-N 1 0 272.133 2.257 10 0 CEAERO COc1cccc(F)c1C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000226455538 344550214 /nfs/dbraw/zinc/55/02/14/344550214.db2.gz LPUCILMFZPRXMQ-NSHDSACASA-N 1 0 280.343 2.048 10 0 CEAERO [NH3+]C[C@@H]1c2ccccc2CCN1c1ncnc2c1CCC2 ZINC000227725446 344556354 /nfs/dbraw/zinc/55/63/54/344556354.db2.gz DDIGDSBFUXITGP-MRXNPFEDSA-N 1 0 280.375 2.028 10 0 CEAERO Cn1cc(N)c(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000231659658 344575282 /nfs/dbraw/zinc/57/52/82/344575282.db2.gz XOQQCRJEJAWROZ-CQSZACIVSA-N 1 0 285.395 2.079 10 0 CEAERO C[C@@H](c1cc(Br)cs1)N1CC([NH3+])C1 ZINC000229862231 344569203 /nfs/dbraw/zinc/56/92/03/344569203.db2.gz ALRUHBQAAJOBHF-LURJTMIESA-N 1 0 261.188 2.215 10 0 CEAERO Brc1csc(CC[C@H]2COCC[NH2+]2)c1 ZINC000229872144 344569733 /nfs/dbraw/zinc/56/97/33/344569733.db2.gz HZRHCEJFOJLVPK-VIFPVBQESA-N 1 0 276.199 2.432 10 0 CEAERO Cc1ccc(N[C@H](C)C[NH3+])cc1I ZINC000235466742 344591593 /nfs/dbraw/zinc/59/15/93/344591593.db2.gz ZJVGQWFCJMNNRV-MRVPVSSYSA-N 1 0 290.148 2.359 10 0 CEAERO C[C@]1(c2ccc(I)cc2)CC[NH2+]1 ZINC000235715432 344592125 /nfs/dbraw/zinc/59/21/25/344592125.db2.gz LTLUPTCCBBODQH-SNVBAGLBSA-N 1 0 273.117 2.500 10 0 CEAERO [NH3+]C1CC(c2ccc(I)cc2)C1 ZINC000236183650 344594587 /nfs/dbraw/zinc/59/45/87/344594587.db2.gz YWAISMQFNPEECF-UHFFFAOYSA-N 1 0 273.117 2.496 10 0 CEAERO [NH3+][C@@H]1CCO[C@@H]1c1cc(F)ccc1Br ZINC000236312887 344595548 /nfs/dbraw/zinc/59/55/48/344595548.db2.gz NPUQZWJNJGZXAP-NXEZZACHSA-N 1 0 260.106 2.377 10 0 CEAERO O[C@@H](c1occc1Br)[C@@H]1CCCC[NH2+]1 ZINC000236545810 344595753 /nfs/dbraw/zinc/59/57/53/344595753.db2.gz NIZBBWAVGSSCNP-DTWKUNHWSA-N 1 0 260.131 2.218 10 0 CEAERO CCC[C@@H]1C[C@H]1[NH2+]CC1(O)CCC(C(=O)OCC)CC1 ZINC000233305910 344581017 /nfs/dbraw/zinc/58/10/17/344581017.db2.gz DMIAEYGMMOBRQZ-MYMJJRTCSA-N 1 0 283.412 2.249 10 0 CEAERO CN[C@H](C[NH3+])c1cc(Br)ccc1Cl ZINC000234447264 344585079 /nfs/dbraw/zinc/58/50/79/344585079.db2.gz QLQLHRFOCRVIKS-SECBINFHSA-N 1 0 263.566 2.322 10 0 CEAERO COc1ccc(OCC[N@@H+]2CCC[C@H]2CCCO)cc1 ZINC000052763060 362474196 /nfs/dbraw/zinc/47/41/96/362474196.db2.gz YPBXLNOCOIKHOG-AWEZNQCLSA-N 1 0 279.380 2.311 10 0 CEAERO CCN(C(=O)C[N@@H+]1CCC[C@H]1CCCO)C1CCCCC1 ZINC000052762264 362474213 /nfs/dbraw/zinc/47/42/13/362474213.db2.gz KNAVBXMISKPPFG-HNNXBMFYSA-N 1 0 296.455 2.405 10 0 CEAERO CCc1cc2c(ncnc2N2CCC[C@H]([NH2+]C)C2)s1 ZINC000053204948 362487727 /nfs/dbraw/zinc/48/77/27/362487727.db2.gz OHAQRANCDJEPNL-JTQLQIEISA-N 1 0 276.409 2.442 10 0 CEAERO C[C@@H]1Cc2ccc(I)cc2C[NH2+]1 ZINC000238406396 344606588 /nfs/dbraw/zinc/60/65/88/344606588.db2.gz MIAOGGZDTXBYCH-SSDOTTSWSA-N 1 0 273.117 2.325 10 0 CEAERO [NH3+]Cc1ccc(OC(F)(F)F)nc1Br ZINC000238682589 344607721 /nfs/dbraw/zinc/60/77/21/344607721.db2.gz BDWQSFZZSWPWDW-UHFFFAOYSA-N 1 0 271.036 2.201 10 0 CEAERO CC[C@H](CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)Oc1cccc(F)c1 ZINC000262643862 344655384 /nfs/dbraw/zinc/65/53/84/344655384.db2.gz QJIOGKHMTLCRCE-MRVWCRGKSA-N 1 0 294.370 2.227 10 0 CEAERO CC[C@H](O)CN1CC[NH+](C[C@@H]2CCCC[C@H]2C)CC1 ZINC000248454795 344622896 /nfs/dbraw/zinc/62/28/96/344622896.db2.gz HPAXNGFARITOPS-PMPSAXMXSA-N 1 0 268.445 2.201 10 0 CEAERO CC[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000251789756 344637782 /nfs/dbraw/zinc/63/77/82/344637782.db2.gz NMPUEPFWYYXQJV-MGPQQGTHSA-N 1 0 252.402 2.461 10 0 CEAERO CCC[C@@H](C)C[N@@H+]1CCN(CCOCC)[C@@H](C)C1 ZINC000252733713 344641345 /nfs/dbraw/zinc/64/13/45/344641345.db2.gz BJWCWBJOZPCNSH-CABCVRRESA-N 1 0 256.434 2.465 10 0 CEAERO CS[C@@H]1CCC[C@H](NC(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000300641022 344701086 /nfs/dbraw/zinc/70/10/86/344701086.db2.gz CFTZSGWFKCVUCZ-FRRDWIJNSA-N 1 0 270.442 2.167 10 0 CEAERO [NH3+]CC1(Oc2cc(F)cc(Br)c2)CC1 ZINC000300780247 344701577 /nfs/dbraw/zinc/70/15/77/344701577.db2.gz RTGISDITNABHRU-UHFFFAOYSA-N 1 0 260.106 2.458 10 0 CEAERO [NH3+][C@H]1CCO[C@@H]1c1cccc(Br)c1F ZINC000306566257 344714373 /nfs/dbraw/zinc/71/43/73/344714373.db2.gz SBKXKVFVAPYNEG-WCBMZHEXSA-N 1 0 260.106 2.377 10 0 CEAERO CC(C)([NH3+])[C@@H](O)c1ccc(I)cc1 ZINC000306564097 344714696 /nfs/dbraw/zinc/71/46/96/344714696.db2.gz DNHGDAGDDQCLPW-VIFPVBQESA-N 1 0 291.132 2.062 10 0 CEAERO COc1cc(N[C@@H]2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1C ZINC000382468724 344826125 /nfs/dbraw/zinc/82/61/25/344826125.db2.gz OJKZKLBKARTVCR-GHMZBOCLSA-N 1 0 279.340 2.451 10 0 CEAERO [NH3+]C[C@H]1CC(=O)N(c2c(Cl)cccc2Cl)C1 ZINC000083848951 178753347 /nfs/dbraw/zinc/75/33/47/178753347.db2.gz JUDLLUOMQYMERI-SSDOTTSWSA-N 1 0 259.136 2.305 10 0 CEAERO [NH3+]C1(COCC(=O)Nc2cccc(F)c2)CCCC1 ZINC000083863174 178755607 /nfs/dbraw/zinc/75/56/07/178755607.db2.gz JLXYDOLBOVZTOQ-UHFFFAOYSA-N 1 0 266.316 2.052 10 0 CEAERO CNC(=[NH2+])Nc1ccc(OC)c(Br)c1 ZINC000083869950 178756112 /nfs/dbraw/zinc/75/61/12/178756112.db2.gz XDLVFQWZHKEASI-UHFFFAOYSA-N 1 0 258.119 2.024 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+][C@H]2CO[C@H](C)C2)c1C ZINC000402280778 344872261 /nfs/dbraw/zinc/87/22/61/344872261.db2.gz FZROYFMIGJBADW-GBIKHYSHSA-N 1 0 251.374 2.348 10 0 CEAERO Fc1ccc(CN2CC[C@@H]3OCC[NH2+][C@@H]3C2)c(Cl)c1 ZINC000404288515 344879056 /nfs/dbraw/zinc/87/90/56/344879056.db2.gz ZBRXOPMTBANROM-KGLIPLIRSA-N 1 0 284.762 2.042 10 0 CEAERO [NH3+][C@H]1CCOC[C@@H]1[S@](=O)c1cc(Cl)ccc1Cl ZINC000084000603 178769511 /nfs/dbraw/zinc/76/95/11/178769511.db2.gz YRWNZBNMVVQVNK-NSTVUXKKSA-N 1 0 294.203 2.217 10 0 CEAERO CCC[NH2+][C@@H](C[S@@](=O)C1CCOCC1)C(C)(C)C ZINC000084055070 178779101 /nfs/dbraw/zinc/77/91/01/178779101.db2.gz CODKNJRFFCLRJL-UGSOOPFHSA-N 1 0 275.458 2.328 10 0 CEAERO CC[NH2+][C@H](C[S@](=O)CCOC)c1cc(C)ccc1OC ZINC000084035430 178774637 /nfs/dbraw/zinc/77/46/37/178774637.db2.gz ZSQCTFNQCHXCKM-VLIAUNLRSA-N 1 0 299.436 2.049 10 0 CEAERO COc1ccc([C@@H](O)[C@H](C)[NH+]2CCCC2)cc1OC ZINC000584621121 344966852 /nfs/dbraw/zinc/96/68/52/344966852.db2.gz YPVVPFCGHPFNTN-NHYWBVRUSA-N 1 0 265.353 2.222 10 0 CEAERO [NH3+]CCCCCCn1nc(-c2ccccc2)ccc1=O ZINC000584630477 344969222 /nfs/dbraw/zinc/96/92/22/344969222.db2.gz FNUBZALMQVGCAJ-UHFFFAOYSA-N 1 0 271.364 2.429 10 0 CEAERO C[NH2+][C@@H](C)c1cccc(SCCS(C)(=O)=O)c1 ZINC000084123545 178797819 /nfs/dbraw/zinc/79/78/19/178797819.db2.gz HCXUCWLOCWGEPL-JTQLQIEISA-N 1 0 273.423 2.104 10 0 CEAERO C[C@@H]1[C@@H](O)CCCN1Cc1nc(-c2ccsc2)no1 ZINC000295093496 199341759 /nfs/dbraw/zinc/34/17/59/199341759.db2.gz AGZFRUCWAYRKAX-KOLCDFICSA-N 1 0 279.365 2.143 10 0 CEAERO CN(CCc1ccccc1)C(=O)CC1([NH3+])CCCC1 ZINC000084181968 178816762 /nfs/dbraw/zinc/81/67/62/178816762.db2.gz KPFIYEPETUYCLO-UHFFFAOYSA-N 1 0 260.381 2.349 10 0 CEAERO CCN(CC)C(=O)c1cccc(NC(=O)CC(C)(C)[NH3+])c1 ZINC000084184552 178818627 /nfs/dbraw/zinc/81/86/27/178818627.db2.gz NEBPIFYQOYIUFF-UHFFFAOYSA-N 1 0 291.395 2.235 10 0 CEAERO Cc1nn(C)c(CC[C@H]([NH3+])C(C)C)c1Br ZINC000084271562 178838407 /nfs/dbraw/zinc/83/84/07/178838407.db2.gz MTQOEBNRPZLDSM-VIFPVBQESA-N 1 0 274.206 2.407 10 0 CEAERO Cc1nn(C)c(CC[NH2+]C(C)(C)C)c1Br ZINC000084274047 178839633 /nfs/dbraw/zinc/83/96/33/178839633.db2.gz HFKRPQWDBFJBDX-UHFFFAOYSA-N 1 0 274.206 2.422 10 0 CEAERO Cc1ccc(S(=O)(=O)CCCCC[NH3+])cc1C ZINC000084268111 178835246 /nfs/dbraw/zinc/83/52/46/178835246.db2.gz XUBCSFBLDBKSCT-UHFFFAOYSA-N 1 0 255.383 2.206 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)CSCc1ccc(F)cc1 ZINC000591676579 345273110 /nfs/dbraw/zinc/27/31/10/345273110.db2.gz YCWMKZDLDABTBQ-GXTWGEPZSA-N 1 0 296.411 2.303 10 0 CEAERO Cc1nn(C)c(CC[C@@H](C)C[NH3+])c1Br ZINC000084276990 178840637 /nfs/dbraw/zinc/84/06/37/178840637.db2.gz YLPXUUOXRIEKRE-SSDOTTSWSA-N 1 0 260.179 2.018 10 0 CEAERO CCc1nn(C)c(C[C@H]([NH3+])[C@@H]2C[C@@H]2C)c1Br ZINC000084296064 178848412 /nfs/dbraw/zinc/84/84/12/178848412.db2.gz IOIRKQPDZXIYBS-YIZRAAEISA-N 1 0 286.217 2.271 10 0 CEAERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2cccc(Cl)c2)CCO1 ZINC000116928808 232201600 /nfs/dbraw/zinc/20/16/00/232201600.db2.gz BJFBWCJJELBSEA-CYBMUJFWSA-N 1 0 297.786 2.134 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cccc2cc[nH]c21 ZINC000229584395 539472400 /nfs/dbraw/zinc/47/24/00/539472400.db2.gz IDHZXHIAPVZMGD-ZWNOBZJWSA-N 1 0 257.337 2.038 10 0 CEAERO CC[NH2+][C@@H]1CC[C@H](S(=O)(=O)c2cccc(C)c2)C1 ZINC000084433955 178887907 /nfs/dbraw/zinc/88/79/07/178887907.db2.gz FAVSEYHPJPHGMX-OCCSQVGLSA-N 1 0 267.394 2.299 10 0 CEAERO OC1CC(C[NH2+]Cc2cc(Br)cs2)C1 ZINC000084446638 178889694 /nfs/dbraw/zinc/88/96/94/178889694.db2.gz ZXSSSCIQYIROHG-UHFFFAOYSA-N 1 0 276.199 2.371 10 0 CEAERO c1nn(Cc2ccccc2)cc1N[C@@H]1CCC[NH2+]CC1 ZINC000133759384 232213779 /nfs/dbraw/zinc/21/37/79/232213779.db2.gz FBBNPURNOCLYMO-OAHLLOKOSA-N 1 0 270.380 2.485 10 0 CEAERO Cc1ccc(S(=O)(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1C ZINC000084429901 178886003 /nfs/dbraw/zinc/88/60/03/178886003.db2.gz MTYYWTQUJSZCGU-OLZOCXBDSA-N 1 0 267.394 2.347 10 0 CEAERO C[C@@H](NC[C@H](O)C[NH+]1CCCCC1)c1cc(F)cc(F)c1 ZINC000151301824 232216751 /nfs/dbraw/zinc/21/67/51/232216751.db2.gz ZKNMZHAUMRCGCO-WBMJQRKESA-N 1 0 298.377 2.462 10 0 CEAERO CC[NH2+][C@H](c1cccc(N(C)C)c1)c1cnccn1 ZINC000097192354 185559068 /nfs/dbraw/zinc/55/90/68/185559068.db2.gz XZNZQKZJOXZGLO-OAHLLOKOSA-N 1 0 256.353 2.242 10 0 CEAERO CCOc1cc([C@H](O)C(C)(C)[NH3+])ccc1OC(F)F ZINC000097209468 185564551 /nfs/dbraw/zinc/56/45/51/185564551.db2.gz KDGGHAUHEHQIOO-NSHDSACASA-N 1 0 275.295 2.457 10 0 CEAERO CC[C@H](C)n1ccc(C[C@](C)(O)C[NH2+]C(C)C)n1 ZINC000097210349 185564922 /nfs/dbraw/zinc/56/49/22/185564922.db2.gz ADTHNMBSNDKGLR-JSGCOSHPSA-N 1 0 253.390 2.146 10 0 CEAERO Cc1cc(C[C@H]([NH3+])COc2ccc(Cl)cc2)n(C)n1 ZINC000097273152 185575424 /nfs/dbraw/zinc/57/54/24/185575424.db2.gz JBEAALFXUKORAC-LBPRGKRZSA-N 1 0 279.771 2.331 10 0 CEAERO C[NH2+][C@@H](CC[C@H]1CCCO1)Cc1c(C)nn(C)c1C ZINC000097236955 185571715 /nfs/dbraw/zinc/57/17/15/185571715.db2.gz CQHFEJMVJCRWKJ-UONOGXRCSA-N 1 0 265.401 2.127 10 0 CEAERO CC[NH2+][C@H](Cc1c(Cl)c(C)nn1C)c1ccnnc1 ZINC000097273679 185575936 /nfs/dbraw/zinc/57/59/36/185575936.db2.gz SBNISVSPFJNFGF-LLVKDONJSA-N 1 0 279.775 2.065 10 0 CEAERO Cc1ccc([C@H]([NH3+])Cc2ncnn2C(C)C)c(C)n1 ZINC000097277498 185576532 /nfs/dbraw/zinc/57/65/32/185576532.db2.gz BWQNQVDUNFMCNU-CYBMUJFWSA-N 1 0 259.357 2.113 10 0 CEAERO CCC[NH2+][C@H](Cc1ccncc1)c1cc(C)nn1C ZINC000097278099 185577693 /nfs/dbraw/zinc/57/76/93/185577693.db2.gz JDTNIBHGQYSESP-CQSZACIVSA-N 1 0 258.369 2.407 10 0 CEAERO CCCn1ncnc1C[C@@H]([NH3+])COc1ccc(Cl)cc1 ZINC000097281813 185578468 /nfs/dbraw/zinc/57/84/68/185578468.db2.gz YNZQIUBHZCKKJF-GFCCVEGCSA-N 1 0 294.786 2.290 10 0 CEAERO CCc1nnsc1[C@@H]([NH3+])[C@@H]1CCOC2(CCC2)C1 ZINC000097305881 185581834 /nfs/dbraw/zinc/58/18/34/185581834.db2.gz IHQOROVNRMIIMY-KOLCDFICSA-N 1 0 267.398 2.450 10 0 CEAERO CCOCCC[C@H]([NH3+])[C@@H]1CCOC2(CCOCC2)C1 ZINC000097310965 185583295 /nfs/dbraw/zinc/58/32/95/185583295.db2.gz RVGPYAAQYNVRMX-KGLIPLIRSA-N 1 0 271.401 2.106 10 0 CEAERO C[C@@H]1CC[C@@H](NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])C[C@@H]1C ZINC000085058545 178945219 /nfs/dbraw/zinc/94/52/19/178945219.db2.gz ADKHYUUKUSVVJX-LJJRGKOZSA-N 1 0 264.413 2.301 10 0 CEAERO C[NH2+][C@@H](Cc1cccnc1)Cn1cnc2ccccc21 ZINC000097390741 185597438 /nfs/dbraw/zinc/59/74/38/185597438.db2.gz YNIAVCIJOOXCEB-AWEZNQCLSA-N 1 0 266.348 2.262 10 0 CEAERO CCOCC[C@@H]([NH3+])c1ccccc1OCCOC ZINC000097415254 185598701 /nfs/dbraw/zinc/59/87/01/185598701.db2.gz CRDWSYVTRLYFGN-CYBMUJFWSA-N 1 0 253.342 2.138 10 0 CEAERO O[C@H](C[NH2+]C1CC1)Cc1ccc(Br)s1 ZINC000084994116 178941640 /nfs/dbraw/zinc/94/16/40/178941640.db2.gz QSXQCVSSMSPBQS-QMMMGPOBSA-N 1 0 276.199 2.166 10 0 CEAERO CCOc1ccccc1[C@@](C)(CCO)[C@H]([NH3+])CC ZINC000097435367 185603511 /nfs/dbraw/zinc/60/35/11/185603511.db2.gz WOOSWVSHWWQXPZ-HUUCEWRRSA-N 1 0 251.370 2.463 10 0 CEAERO C[C@H](CO)CSc1cccc(Cl)c1C(N)=[NH2+] ZINC000085139235 178955626 /nfs/dbraw/zinc/95/56/26/178955626.db2.gz OVVAKOMRIAVYSS-SSDOTTSWSA-N 1 0 258.774 2.345 10 0 CEAERO COCCn1ncc(Cl)c1[C@@H]([NH3+])Cc1ccsc1 ZINC000097461901 185610301 /nfs/dbraw/zinc/61/03/01/185610301.db2.gz LEENGJGBBYQQMF-NSHDSACASA-N 1 0 285.800 2.487 10 0 CEAERO Cc1nccc(-c2noc(C3CCC(C[NH3+])CC3)n2)n1 ZINC000097468848 185612020 /nfs/dbraw/zinc/61/20/20/185612020.db2.gz WONVOTDMNXRQRW-UHFFFAOYSA-N 1 0 273.340 2.068 10 0 CEAERO CO[C@@H]1C[C@H](CO)[N@H+](C[C@@H](C)C2CCCCC2)C1 ZINC000310835044 201876853 /nfs/dbraw/zinc/87/68/53/201876853.db2.gz JQGPZKBSVCJYLL-BPLDGKMQSA-N 1 0 255.402 2.284 10 0 CEAERO CC[C@@H](C)n1ccc(CN(CC)[C@@H]2CCC[NH2+]C2)n1 ZINC000085180937 178964547 /nfs/dbraw/zinc/96/45/47/178964547.db2.gz MOVNLDAYPNZOIO-UKRRQHHQSA-N 1 0 264.417 2.428 10 0 CEAERO C[C@@H]([NH3+])C1CCN(c2ncnc3c2CCCCC3)CC1 ZINC000094887105 136514991 /nfs/dbraw/zinc/51/49/91/136514991.db2.gz FGLVPFKDAMAJKE-GFCCVEGCSA-N 1 0 274.412 2.309 10 0 CEAERO CCC(CC)([C@@H](CC1CCOCC1)NN)[NH+]1CCCC1 ZINC000097587122 185631778 /nfs/dbraw/zinc/63/17/78/185631778.db2.gz DCHIZGDIQUNCDF-OAHLLOKOSA-N 1 0 283.460 2.290 10 0 CEAERO CC[NH+](CC)C1([C@@H](Cc2cccnc2)NN)CCCC1 ZINC000097588041 185633240 /nfs/dbraw/zinc/63/32/40/185633240.db2.gz SMOZAIAEDNDKPR-OAHLLOKOSA-N 1 0 276.428 2.111 10 0 CEAERO [NH3+][C@@](CO)(COc1ccccc1C(F)(F)F)C1CC1 ZINC000085282971 179000791 /nfs/dbraw/zinc/00/07/91/179000791.db2.gz DHDUZGMSAFRNOV-LBPRGKRZSA-N 1 0 275.270 2.184 10 0 CEAERO CCC[NH2+][C@H](CO)CCOc1c(C)cccc1C ZINC000085283169 179000824 /nfs/dbraw/zinc/00/08/24/179000824.db2.gz OZBVUGOEJSVMCI-AWEZNQCLSA-N 1 0 251.370 2.433 10 0 CEAERO C[NH2+][C@](C)(CO)C[C@H](C)Oc1cccc(C)c1C ZINC000085283868 179001472 /nfs/dbraw/zinc/00/14/72/179001472.db2.gz YHZJUIWFVXSAIV-WFASDCNBSA-N 1 0 251.370 2.431 10 0 CEAERO Cc1cc(C)cc(OCC[C@H](CO)[NH2+]C(C)C)c1 ZINC000085284793 179002782 /nfs/dbraw/zinc/00/27/82/179002782.db2.gz NXFGYMVDBAKFEV-CQSZACIVSA-N 1 0 251.370 2.431 10 0 CEAERO CC[NH2+][C@H](CO)COc1cc(C)ccc1C(C)C ZINC000085284186 179002332 /nfs/dbraw/zinc/00/23/32/179002332.db2.gz MMJGCIABFDRDOI-CYBMUJFWSA-N 1 0 251.370 2.468 10 0 CEAERO C[NH2+][C@@](C)(CO)C[C@H](C)Oc1cc(C)ccc1C ZINC000085284561 179002363 /nfs/dbraw/zinc/00/23/63/179002363.db2.gz FXPDKDVXPNZTGX-DZGCQCFKSA-N 1 0 251.370 2.431 10 0 CEAERO CCc1ccc(OCCC[C@@](C)(CO)[NH2+]C)cc1 ZINC000085284138 179002368 /nfs/dbraw/zinc/00/23/68/179002368.db2.gz YIYMSAKNHILRBZ-HNNXBMFYSA-N 1 0 251.370 2.378 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCCOc1cccc(OC)c1 ZINC000085284049 179002419 /nfs/dbraw/zinc/00/24/19/179002419.db2.gz UBCAOKVQBFFCHH-OAHLLOKOSA-N 1 0 267.369 2.215 10 0 CEAERO CC[NH2+][C@](CO)(CO[C@@H]1CCCC[C@@H]1C)C1CC1 ZINC000085269225 178997823 /nfs/dbraw/zinc/99/78/23/178997823.db2.gz VFOPHQLVQXQFJR-NWANDNLSSA-N 1 0 255.402 2.332 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)COc1ccc(F)c(F)c1 ZINC000085286757 179003821 /nfs/dbraw/zinc/00/38/21/179003821.db2.gz BCTGZYVZMAEHHV-ZDUSSCGKSA-N 1 0 259.296 2.093 10 0 CEAERO CCCOc1ccc(O[C@@H](C)C[C@@](C)([NH3+])CO)cc1 ZINC000085286155 179003833 /nfs/dbraw/zinc/00/38/33/179003833.db2.gz YVZGSZOIIJFAJU-SWLSCSKDSA-N 1 0 267.369 2.343 10 0 CEAERO C[NH2+][C@](C)(CO)COc1cccc(C(C)(C)C)c1 ZINC000085286494 179003882 /nfs/dbraw/zinc/00/38/82/179003882.db2.gz JJWKILRJQXBPNY-OAHLLOKOSA-N 1 0 251.370 2.333 10 0 CEAERO Cc1ccc(C)c(OC[C@@](C)(CO)[NH2+]C2CC2)c1C ZINC000085286261 179004179 /nfs/dbraw/zinc/00/41/79/179004179.db2.gz UJWRPRNERFABLP-MRXNPFEDSA-N 1 0 263.381 2.494 10 0 CEAERO Cc1ccnc(S[C@H](C)C[C@@](C)(CO)[NH2+]C(C)C)n1 ZINC000085287840 179004648 /nfs/dbraw/zinc/00/46/48/179004648.db2.gz INIIXQCBTINPOD-OCCSQVGLSA-N 1 0 283.441 2.405 10 0 CEAERO C[C@](CO)(CCOc1ccc(F)c(F)c1)[NH2+]C1CC1 ZINC000085286796 179004670 /nfs/dbraw/zinc/00/46/70/179004670.db2.gz DYAAHFKESFUNAT-CQSZACIVSA-N 1 0 271.307 2.237 10 0 CEAERO Cc1ccc2[nH]c(S[C@H](C)C[C@@](C)([NH3+])CO)nc2c1 ZINC000085288275 179004964 /nfs/dbraw/zinc/00/49/64/179004964.db2.gz KNHSCQAFSSNMQV-QMTHXVAHSA-N 1 0 279.409 2.452 10 0 CEAERO C[NH2+][C@@](C)(CO)CCSc1nc2cc(C)ccc2[nH]1 ZINC000085288298 179005401 /nfs/dbraw/zinc/00/54/01/179005401.db2.gz LTYKYCDLNQNTCE-CQSZACIVSA-N 1 0 279.409 2.324 10 0 CEAERO CCC[NH2+][C@@](C)(CO)CCSC1CCOCC1 ZINC000085290147 179006815 /nfs/dbraw/zinc/00/68/15/179006815.db2.gz PKSPKDKDNVCBAA-CYBMUJFWSA-N 1 0 261.431 2.039 10 0 CEAERO CC(C)[NH2+][C@](CO)(CSc1ccccn1)C1CC1 ZINC000085292032 179008016 /nfs/dbraw/zinc/00/80/16/179008016.db2.gz STGAOJKSSUFMSC-CQSZACIVSA-N 1 0 266.410 2.313 10 0 CEAERO Cc1nnc(SCC[C@](C)(CO)[NH2+]C(C)C)s1 ZINC000085297112 179008270 /nfs/dbraw/zinc/00/82/70/179008270.db2.gz MUXZTAQKLYGELD-LLVKDONJSA-N 1 0 275.443 2.078 10 0 CEAERO CC[NH2+][C@@H](CO)CSc1ccc2c(c1)CCC2 ZINC000085292905 179008317 /nfs/dbraw/zinc/00/83/17/179008317.db2.gz QKFOZBVUZGTKDP-ZDUSSCGKSA-N 1 0 251.395 2.238 10 0 CEAERO Cc1cnc(S[C@H](C)C[C@](C)(CO)[NH2+]C(C)C)nc1 ZINC000085297773 179009125 /nfs/dbraw/zinc/00/91/25/179009125.db2.gz XOROSNHGTBTNDQ-TZMCWYRMSA-N 1 0 283.441 2.405 10 0 CEAERO CCSC[C@](CO)([NH2+]C1CC1)c1ccccc1 ZINC000085298598 179009272 /nfs/dbraw/zinc/00/92/72/179009272.db2.gz KNUWXHJIUUAYGA-AWEZNQCLSA-N 1 0 251.395 2.379 10 0 CEAERO CC[NH2+][C@](C)(CO)CCCOc1cccc(F)c1 ZINC000085285510 179003194 /nfs/dbraw/zinc/00/31/94/179003194.db2.gz WSHKILUOJYSICL-AWEZNQCLSA-N 1 0 255.333 2.345 10 0 CEAERO CN(CCCC[C@@](C)(O)C[NH3+])c1ccc(F)cc1 ZINC000085303476 179011507 /nfs/dbraw/zinc/01/15/07/179011507.db2.gz NHNSHQZXNYKRSE-CQSZACIVSA-N 1 0 254.349 2.142 10 0 CEAERO Cc1ccc2[nH]c(SCC[C@@](C)(O)C[NH3+])nc2c1 ZINC000085307973 179013416 /nfs/dbraw/zinc/01/34/16/179013416.db2.gz XCTMNBSQDUZVJM-CYBMUJFWSA-N 1 0 265.382 2.063 10 0 CEAERO Cc1nn(C)c(CSC[C@H](C)[NH3+])c1Br ZINC000085313893 179014009 /nfs/dbraw/zinc/01/40/09/179014009.db2.gz BXRBAYYMMDHBFF-LURJTMIESA-N 1 0 278.219 2.071 10 0 CEAERO COc1cc(-c2noc([C@H]3CCCC[C@@H]3[NH3+])n2)ccc1O ZINC000085325247 179017756 /nfs/dbraw/zinc/01/77/56/179017756.db2.gz BVQSELQDKWLDSW-QWRGUYRKSA-N 1 0 289.335 2.436 10 0 CEAERO CSc1ccc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000085355782 179030297 /nfs/dbraw/zinc/03/02/97/179030297.db2.gz HYAGZXKRTPYLKY-RYUDHWBXSA-N 1 0 250.367 2.474 10 0 CEAERO C[C@@H](NC(=O)[C@H]1CCCC[C@@H]1[NH3+])c1cccs1 ZINC000085358551 179031102 /nfs/dbraw/zinc/03/11/02/179031102.db2.gz VQBLCJJZZILWHY-VWYCJHECSA-N 1 0 252.383 2.443 10 0 CEAERO CN(C)c1ccc(NC(=O)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000085359050 179032091 /nfs/dbraw/zinc/03/20/91/179032091.db2.gz AHBCNSIRGCQKDZ-UONOGXRCSA-N 1 0 261.369 2.209 10 0 CEAERO CCC(=O)Nc1ccc(C)c(NC(=O)[C@H]2CCC[C@H]2[NH3+])c1 ZINC000085360305 179032522 /nfs/dbraw/zinc/03/25/22/179032522.db2.gz XTRXMXFGWJMOLG-QWHCGFSZSA-N 1 0 289.379 2.409 10 0 CEAERO COc1ccc(C)cc1[C@H](C)NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085361057 179032835 /nfs/dbraw/zinc/03/28/35/179032835.db2.gz PNAYWTVKYBIBSF-SCRDCRAPSA-N 1 0 276.380 2.308 10 0 CEAERO Cc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])c(C)c1O ZINC000085363545 179034569 /nfs/dbraw/zinc/03/45/69/179034569.db2.gz DYNBTBKYICOLMT-NEPJUHHUSA-N 1 0 262.353 2.465 10 0 CEAERO CCC(=O)Nc1ccc(NC(=O)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000085362935 179034692 /nfs/dbraw/zinc/03/46/92/179034692.db2.gz JWWJAQBTXSCFRP-UONOGXRCSA-N 1 0 289.379 2.491 10 0 CEAERO [NH3+][C@H]1COC[C@@H]1c1nc2cccc(Cl)c2s1 ZINC000085352957 179029738 /nfs/dbraw/zinc/02/97/38/179029738.db2.gz BKMOBPAEGZZCRA-XPUUQOCRSA-N 1 0 254.742 2.391 10 0 CEAERO COCCN(Cc1ccccc1)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085366518 179037039 /nfs/dbraw/zinc/03/70/39/179037039.db2.gz FSKCXLOWUAEFLY-HOTGVXAUSA-N 1 0 290.407 2.179 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)N1CC=C(c2ccccc2)CC1 ZINC000085367805 179037748 /nfs/dbraw/zinc/03/77/48/179037748.db2.gz LFHSPUWOGNSDFE-HOTGVXAUSA-N 1 0 270.376 2.430 10 0 CEAERO CN(Cc1nc2ccccc2s1)C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085367225 179037754 /nfs/dbraw/zinc/03/77/54/179037754.db2.gz HOTMIMGUZYQJJV-GHMZBOCLSA-N 1 0 289.404 2.382 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)N(Cc1ccccc1F)C1CC1 ZINC000085367168 179037828 /nfs/dbraw/zinc/03/78/28/179037828.db2.gz UPFZQXXFKHFVMN-HIFRSBDPSA-N 1 0 276.355 2.444 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)NCCSc1ccccc1 ZINC000085369586 179039118 /nfs/dbraw/zinc/03/91/18/179039118.db2.gz YUFBRGMBCHQSQC-CHWSQXEVSA-N 1 0 264.394 2.022 10 0 CEAERO C[C@@H](CCc1ccco1)NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085370890 179041127 /nfs/dbraw/zinc/04/11/27/179041127.db2.gz JMVSYIFWPHJBGG-UBHSHLNASA-N 1 0 264.369 2.234 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)NCCCn1ccc2ccccc21 ZINC000085371014 179041410 /nfs/dbraw/zinc/04/14/10/179041410.db2.gz SQXQYGQNQCQZKK-HUUCEWRRSA-N 1 0 285.391 2.275 10 0 CEAERO C[C@@H]([NH3+])c1cc(F)ccc1N1CCCC[C@H]1CO ZINC000109568122 136529932 /nfs/dbraw/zinc/52/99/32/136529932.db2.gz BNXSVGLJNWXBIB-PWSUYJOCSA-N 1 0 252.333 2.197 10 0 CEAERO COc1ccccc1[C@H](C)NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085371562 179041811 /nfs/dbraw/zinc/04/18/11/179041811.db2.gz BYHRDIABSGTJNS-YUTCNCBUSA-N 1 0 276.380 2.390 10 0 CEAERO CC[C@H](NC(=O)[C@H]1CCC[C@@H]1[NH3+])c1cccs1 ZINC000085372657 179042174 /nfs/dbraw/zinc/04/21/74/179042174.db2.gz BZEWINNCAORIPY-DCAQKATOSA-N 1 0 252.383 2.443 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)N[C@@H]1CCCc2sccc21 ZINC000085374455 179043292 /nfs/dbraw/zinc/04/32/92/179043292.db2.gz SCHUUGRSYQOBPV-ADEWGFFLSA-N 1 0 264.394 2.369 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1cc(F)c(F)cc1F ZINC000085374308 179043430 /nfs/dbraw/zinc/04/34/30/179043430.db2.gz WJILBDFUAOTKMI-LHLIQPBNSA-N 1 0 258.243 2.170 10 0 CEAERO C[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085374700 179043600 /nfs/dbraw/zinc/04/36/00/179043600.db2.gz NJNJPDIIEYDSBJ-GDLCADMTSA-N 1 0 264.344 2.000 10 0 CEAERO CCO[C@H]1C[C@H]([NH2+]CCCOC[C@@H]2CCCO2)C1(C)C ZINC000085380426 179045794 /nfs/dbraw/zinc/04/57/94/179045794.db2.gz BHBLIDHURRHMAU-KKUMJFAQSA-N 1 0 285.428 2.365 10 0 CEAERO COc1cccc([C@@H](C)NC(=O)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000085365555 179036559 /nfs/dbraw/zinc/03/65/59/179036559.db2.gz FHJFMICYXZEZFN-UGFHNGPFSA-N 1 0 276.380 2.390 10 0 CEAERO C[C@@H](NC(=O)[C@H]1CCC[C@@H]1[NH3+])c1c(F)cccc1F ZINC000085365581 179036639 /nfs/dbraw/zinc/03/66/39/179036639.db2.gz RBFNFJHHKBURJV-PTRXPTGYSA-N 1 0 268.307 2.269 10 0 CEAERO COC(=O)CCC[NH2+][C@H]1C[C@H](OCC(C)C)C1(C)C ZINC000085400619 179052002 /nfs/dbraw/zinc/05/20/02/179052002.db2.gz RMIFJCQGJCUCJF-STQMWFEESA-N 1 0 271.401 2.369 10 0 CEAERO CC(C)CO[C@@H]1C[C@H]([NH2+]CCCc2nnc[nH]2)C1(C)C ZINC000085402208 179052155 /nfs/dbraw/zinc/05/21/55/179052155.db2.gz YTCYYHCFOWCZDH-QWHCGFSZSA-N 1 0 280.416 2.167 10 0 CEAERO C[NH2+][C@H](Cc1cc(F)ccc1C)[C@H]1CSCCO1 ZINC000097853932 185672960 /nfs/dbraw/zinc/67/29/60/185672960.db2.gz HVIAOAMYSWTXLQ-ZIAGYGMSSA-N 1 0 269.385 2.397 10 0 CEAERO Cc1nn(Cc2cc(F)ccc2C)c(C)c1CC[NH3+] ZINC000097855841 185673293 /nfs/dbraw/zinc/67/32/93/185673293.db2.gz XPVKAXNOGLAQEZ-UHFFFAOYSA-N 1 0 261.344 2.497 10 0 CEAERO Fc1cccc(CN2CC[NH2+][C@@H](C3CC3)C2)c1F ZINC000085434900 179060885 /nfs/dbraw/zinc/06/08/85/179060885.db2.gz GFUKWEQSUZYDNR-CYBMUJFWSA-N 1 0 252.308 2.149 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCCNC1=O)c1cnc2ccsc2c1 ZINC000085433917 179061159 /nfs/dbraw/zinc/06/11/59/179061159.db2.gz WPXMCPQAYOGPBH-JOYOIKCWSA-N 1 0 275.377 2.226 10 0 CEAERO CO[C@H]1CCC[C@@H]([N@@H+]2CCN[C@@H](CC(C)C)C2)C1 ZINC000085435092 179061802 /nfs/dbraw/zinc/06/18/02/179061802.db2.gz PTIBTBVZYKQUBC-ZNMIVQPWSA-N 1 0 254.418 2.264 10 0 CEAERO [NH3+][C@H]1CCCCC[C@@H]1Nc1ncncc1Br ZINC000085466681 179071968 /nfs/dbraw/zinc/07/19/68/179071968.db2.gz ZOXJFFHKWZESTM-UWVGGRQHSA-N 1 0 285.189 2.311 10 0 CEAERO CCC[C@@H]1C[NH2+]C(C)(C)CN1CCOCC(F)(F)F ZINC000085469493 179074582 /nfs/dbraw/zinc/07/45/82/179074582.db2.gz MNEHVMQWFGMYSO-LLVKDONJSA-N 1 0 282.350 2.418 10 0 CEAERO COc1ccc(C)cc1CN1CC[NH2+]C[C@@H]1C1CC1 ZINC000085451329 179064975 /nfs/dbraw/zinc/06/49/75/179064975.db2.gz UARZQHWIHKPAED-OAHLLOKOSA-N 1 0 260.381 2.187 10 0 CEAERO CC[C@@H](C)n1ccc(CN2CC[NH2+]C[C@@H]2C2CC2)n1 ZINC000085451404 179065885 /nfs/dbraw/zinc/06/58/85/179065885.db2.gz PNJPNDLQUNAPRH-IUODEOHRSA-N 1 0 262.401 2.038 10 0 CEAERO CC[C@@H](C)[C@H]1C[NH2+]CCN1CCOc1ccccc1 ZINC000085452710 179065960 /nfs/dbraw/zinc/06/59/60/179065960.db2.gz RYYYOAMRAWOTPQ-GDBMZVCRSA-N 1 0 262.397 2.385 10 0 CEAERO CCc1ccc(CN2CC[NH2+]C[C@H]2C2CC2)s1 ZINC000085451489 179066149 /nfs/dbraw/zinc/06/61/49/179066149.db2.gz OUBPTLWWUVZRPO-AWEZNQCLSA-N 1 0 250.411 2.494 10 0 CEAERO CC(C)CCOCCN1CC[NH2+]CC12CCCC2 ZINC000085452219 179066367 /nfs/dbraw/zinc/06/63/67/179066367.db2.gz MZNSHWQPHKMJDP-UHFFFAOYSA-N 1 0 254.418 2.267 10 0 CEAERO C(C1CCOCC1)[N@@H+]1CCNC[C@@H]1C1CCCCC1 ZINC000085452983 179066814 /nfs/dbraw/zinc/06/68/14/179066814.db2.gz NKATWEXTLKGWNY-MRXNPFEDSA-N 1 0 266.429 2.267 10 0 CEAERO CC[C@]1(C)C[NH2+][C@@H](C)CN1Cc1ccn(C(C)C)n1 ZINC000085454210 179066949 /nfs/dbraw/zinc/06/69/49/179066949.db2.gz GLECZYHVTDEYJE-DZGCQCFKSA-N 1 0 264.417 2.426 10 0 CEAERO CCC[C@H]1CN[C@H](C)C[N@@H+]1CCCOCC(F)(F)F ZINC000085453519 179067284 /nfs/dbraw/zinc/06/72/84/179067284.db2.gz URHJHHYWVNAVSJ-NEPJUHHUSA-N 1 0 282.350 2.418 10 0 CEAERO CCC[C@@H]1CN(CCn2cccn2)[C@@H](CCC)C[NH2+]1 ZINC000085455105 179068021 /nfs/dbraw/zinc/06/80/21/179068021.db2.gz OKPMJTPFJWIPLU-CABCVRRESA-N 1 0 264.417 2.126 10 0 CEAERO CC(C)OCC[N@@H+]1C[C@H](C)NCC12CCCCC2 ZINC000085454459 179068101 /nfs/dbraw/zinc/06/81/01/179068101.db2.gz OIMJYVFCMPGBOL-AWEZNQCLSA-N 1 0 254.418 2.408 10 0 CEAERO CC[C@H]1CN(Cc2ncccn2)[C@H](C(C)(C)C)C[NH2+]1 ZINC000085473655 179077967 /nfs/dbraw/zinc/07/79/67/179077967.db2.gz JRRHRAXJHCWTDB-STQMWFEESA-N 1 0 262.401 2.075 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1Cc1cnn(C)c1 ZINC000085475602 179078416 /nfs/dbraw/zinc/07/84/16/179078416.db2.gz AGDKFLQDGQYEPJ-KGLIPLIRSA-N 1 0 264.417 2.019 10 0 CEAERO CC[C@@H]1C[N@H+](CC2CCOCC2)C2(CCCC2)CN1 ZINC000085474874 179078646 /nfs/dbraw/zinc/07/86/46/179078646.db2.gz FKKHWCHEEXVJJK-OAHLLOKOSA-N 1 0 266.429 2.410 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C(C)(C)C)CN1Cc1ncccn1 ZINC000085475521 179078676 /nfs/dbraw/zinc/07/86/76/179078676.db2.gz NUGPIYDIVIYXID-STQMWFEESA-N 1 0 262.401 2.075 10 0 CEAERO CC[C@@H]1CN(Cc2ccccn2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085475097 179078871 /nfs/dbraw/zinc/07/88/71/179078871.db2.gz HNZPUBNACASMAD-GDBMZVCRSA-N 1 0 259.397 2.434 10 0 CEAERO CC[C@H]1C[NH2+][C@@](C)(CC)CN1CCn1ccnc1C ZINC000085494600 179081914 /nfs/dbraw/zinc/08/19/14/179081914.db2.gz QGXFETNARZRIGE-GJZGRUSLSA-N 1 0 264.417 2.044 10 0 CEAERO CCC1(CC)C[NH2+]C(C)(C)CN1Cc1cnn(C)c1 ZINC000085471402 179076041 /nfs/dbraw/zinc/07/60/41/179076041.db2.gz XZICAPIWIBXBOH-UHFFFAOYSA-N 1 0 264.417 2.163 10 0 CEAERO CC(C)(C)[C@@H]1CNC(C)(C)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085470868 179076597 /nfs/dbraw/zinc/07/65/97/179076597.db2.gz PHUZIWDONWWZEK-STQMWFEESA-N 1 0 254.418 2.121 10 0 CEAERO C[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1CCOCC(F)(F)F ZINC000085508925 179085628 /nfs/dbraw/zinc/08/56/28/179085628.db2.gz LKGPGXUEPJHHEG-ZYHUDNBSSA-N 1 0 280.334 2.028 10 0 CEAERO CC1(C)C[NH2+][C@](C)(C2CC2)CN1Cc1cccnc1 ZINC000085514769 179086352 /nfs/dbraw/zinc/08/63/52/179086352.db2.gz YWWXXOPAIAGWAO-INIZCTEOSA-N 1 0 259.397 2.434 10 0 CEAERO CC[C@@]1(C)CN[C@@](C)(C2CC2)C[N@@H+]1CCCOC ZINC000085514872 179086703 /nfs/dbraw/zinc/08/67/03/179086703.db2.gz XMUZVZDEOYGKMU-LSDHHAIUSA-N 1 0 254.418 2.266 10 0 CEAERO C[C@@]1(C2CC2)CN(Cc2ccncc2)[C@H](C2CC2)C[NH2+]1 ZINC000085513797 179086933 /nfs/dbraw/zinc/08/69/33/179086933.db2.gz QAZQDGUUPWYSHB-IRXDYDNUSA-N 1 0 271.408 2.434 10 0 CEAERO CCC1(CC)CN[C@@](C)(C2CC2)C[N@@H+]1CCOCCOC ZINC000085515592 179087713 /nfs/dbraw/zinc/08/77/13/179087713.db2.gz PMTSFOUPLHAWIN-MRXNPFEDSA-N 1 0 298.471 2.282 10 0 CEAERO CC[C@H]1C[NH2+]C2(CCCC2)CN1C[C@@H]1CCCO1 ZINC000085497779 179083331 /nfs/dbraw/zinc/08/33/31/179083331.db2.gz GYHRFFMKXKWOHL-KBPBESRZSA-N 1 0 252.402 2.162 10 0 CEAERO CC(=O)c1c(F)cccc1N1CC[C@H]([NH+](C)C)C1 ZINC000062965984 362735676 /nfs/dbraw/zinc/73/56/76/362735676.db2.gz WFPUQCSLDJZMBA-NSHDSACASA-N 1 0 250.317 2.169 10 0 CEAERO CC(C)[C@H]1CN[C@H](c2ccccc2)C[N@@H+]1[C@@H]1CCOC1 ZINC000085506258 179084661 /nfs/dbraw/zinc/08/46/61/179084661.db2.gz PLSRNSHIYRTPEE-IXDOHACOSA-N 1 0 274.408 2.446 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCCc2ccccc2C1 ZINC000062945957 362736248 /nfs/dbraw/zinc/73/62/48/362736248.db2.gz JEGKADBFVUTTAL-SWLSCSKDSA-N 1 0 260.381 2.335 10 0 CEAERO C[C@H]([NH2+][C@H](CO)c1ccccc1)C(=O)NC1CCCCC1 ZINC000063002831 362742880 /nfs/dbraw/zinc/74/28/80/362742880.db2.gz LIHOLCFZSLEKRD-XJKSGUPXSA-N 1 0 290.407 2.147 10 0 CEAERO CCC[C@H]1C[NH2+][C@H](C2CC2)CN1CC(F)(F)F ZINC000085523714 179088840 /nfs/dbraw/zinc/08/88/40/179088840.db2.gz CVDJPZBBQOUYFA-QWRGUYRKSA-N 1 0 250.308 2.401 10 0 CEAERO CC[C@@H](C)[C@H]1C[NH2+][C@H](C2CC2)CN1Cc1cnn(C)c1 ZINC000085525470 179089089 /nfs/dbraw/zinc/08/90/89/179089089.db2.gz VMFQQOWXZUAYRO-UHOFOFEASA-N 1 0 276.428 2.019 10 0 CEAERO CC(C)n1ccc(CN2C[C@@H](C3CC3)[NH2+]C[C@@H]2C2CC2)n1 ZINC000085526429 179089201 /nfs/dbraw/zinc/08/92/01/179089201.db2.gz ZWHCPDIUYVFROF-DLBZAZTESA-N 1 0 288.439 2.426 10 0 CEAERO CC[C@H](C)[C@@H]1CN[C@H](C2CC2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085525114 179089895 /nfs/dbraw/zinc/08/98/95/179089895.db2.gz YIMFUUCPNQYLJG-TUUVXOQKSA-N 1 0 266.429 2.264 10 0 CEAERO CSCc1ccc(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000602594933 347092913 /nfs/dbraw/zinc/09/29/13/347092913.db2.gz SQZBVYNOYKNBCP-SMDDNHRTSA-N 1 0 278.421 2.216 10 0 CEAERO CC[C@]1(C)C[NH2+][C@H](C2CC2)CN1Cc1ccncc1 ZINC000085528679 179090288 /nfs/dbraw/zinc/09/02/88/179090288.db2.gz JOFQRRXHMXAMFU-JKSUJKDBSA-N 1 0 259.397 2.434 10 0 CEAERO C[C@H]1CN[C@@](C)(c2ccccc2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085531707 179091439 /nfs/dbraw/zinc/09/14/39/179091439.db2.gz BRPUYZLVBUCNEN-BHYGNILZSA-N 1 0 274.408 2.375 10 0 CEAERO CC[C@@H]1CN[C@@](C)(c2ccccc2)C[N@@H+]1CCOC ZINC000085531966 179091448 /nfs/dbraw/zinc/09/14/48/179091448.db2.gz OMYNWCOPYZDHFE-HZPDHXFCSA-N 1 0 262.397 2.232 10 0 CEAERO Cc1nccn1CCN1C[C@H](C2CCCCC2)[NH2+]C[C@@H]1C ZINC000085529666 179091608 /nfs/dbraw/zinc/09/16/08/179091608.db2.gz MCEVDSBLTHALHM-WMLDXEAASA-N 1 0 290.455 2.434 10 0 CEAERO CCOCC[N@@H+]1C[C@@](C)(c2ccccc2)NC[C@@H]1C ZINC000085531584 179091698 /nfs/dbraw/zinc/09/16/98/179091698.db2.gz KHTYDROQNQUVHK-HOCLYGCPSA-N 1 0 262.397 2.232 10 0 CEAERO C[C@@H]1C[NH2+][C@](C)(c2ccccc2)CN1CC(F)F ZINC000085531604 179091884 /nfs/dbraw/zinc/09/18/84/179091884.db2.gz CHUHRFTYHJMDLN-RISCZKNCSA-N 1 0 254.324 2.461 10 0 CEAERO Fc1cc(F)cc(CCn2cnc3c2CC[NH2+]C3)c1 ZINC000085567286 179095641 /nfs/dbraw/zinc/09/56/41/179095641.db2.gz YIIGKUSZIYEKLJ-UHFFFAOYSA-N 1 0 263.291 2.050 10 0 CEAERO CC(C)c1nc2c(n1-c1ccc3c(c1)OCO3)CC[NH2+]C2 ZINC000085569421 179096244 /nfs/dbraw/zinc/09/62/44/179096244.db2.gz BLRKZOIOWDTIQP-UHFFFAOYSA-N 1 0 285.347 2.370 10 0 CEAERO FC(F)(F)c1nc2c(n1C[C@@H]1CCCCO1)CC[NH2+]C2 ZINC000085572448 179096879 /nfs/dbraw/zinc/09/68/79/179096879.db2.gz GEISFAKHYIFLON-VIFPVBQESA-N 1 0 289.301 2.117 10 0 CEAERO CCCc1nc2c(n1CC[C@H]1CCCO1)CC[NH2+]C2 ZINC000085573404 179098407 /nfs/dbraw/zinc/09/84/07/179098407.db2.gz VHKSBYLZMHBZKW-GFCCVEGCSA-N 1 0 263.385 2.050 10 0 CEAERO CC(C)Cc1nc2c(n1CC[C@@H]1CCCO1)CC[NH2+]C2 ZINC000085573387 179098527 /nfs/dbraw/zinc/09/85/27/179098527.db2.gz QFCMHOXTFCOMBP-ZDUSSCGKSA-N 1 0 277.412 2.296 10 0 CEAERO c1ccc(-c2nc3c(n2C[C@H]2CCCO2)CC[NH2+]C3)cc1 ZINC000085575354 179099029 /nfs/dbraw/zinc/09/90/29/179099029.db2.gz AAWWYHIEASFIMQ-CQSZACIVSA-N 1 0 283.375 2.375 10 0 CEAERO COCC[C@@H](C)n1c(CC(C)C)nc2c1CC[NH2+]C2 ZINC000085575245 179099142 /nfs/dbraw/zinc/09/91/42/179099142.db2.gz JEDPDIJHBVBLHU-GFCCVEGCSA-N 1 0 265.401 2.325 10 0 CEAERO CCC(CC)n1ccc(CN2CCC[NH2+][C@@H](C)C2)n1 ZINC000085610243 179100918 /nfs/dbraw/zinc/10/09/18/179100918.db2.gz PSGJXGYFPIHQML-ZDUSSCGKSA-N 1 0 264.417 2.428 10 0 CEAERO CC(C)[C@@H]1CN(Cc2cn3ccccc3n2)CCC[NH2+]1 ZINC000085608544 179101155 /nfs/dbraw/zinc/10/11/55/179101155.db2.gz OKOSEBAWRMNYNJ-HNNXBMFYSA-N 1 0 272.396 2.154 10 0 CEAERO CC(C)CCOCCN1CCC[NH2+][C@H](C(C)C)C1 ZINC000085608142 179101542 /nfs/dbraw/zinc/10/15/42/179101542.db2.gz BLFIHQAWRWYIEM-HNNXBMFYSA-N 1 0 256.434 2.369 10 0 CEAERO CC[C@H](C)[C@@H]1C[N@H+](CC2CCOCC2)CCCN1 ZINC000085609768 179101574 /nfs/dbraw/zinc/10/15/74/179101574.db2.gz JWNTWWGZJOZOIE-ZFWWWQNUSA-N 1 0 254.418 2.123 10 0 CEAERO c1ccc([C@@H]2C[N@H+](CC3CCOCC3)CCCN2)cc1 ZINC000085610938 179102894 /nfs/dbraw/zinc/10/28/94/179102894.db2.gz PWNRQVFLPSLZHE-KRWDZBQOSA-N 1 0 274.408 2.450 10 0 CEAERO C[C@H]1CCN[C@@](C)(C2CC2)C[N@@H+]1CCCn1ccnc1 ZINC000085623474 179105288 /nfs/dbraw/zinc/10/52/88/179105288.db2.gz FPAGZJLCKZCJSK-GOEBONIOSA-N 1 0 276.428 2.126 10 0 CEAERO CC(C)[C@H](C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N(C)C ZINC000085671493 179111356 /nfs/dbraw/zinc/11/13/56/179111356.db2.gz MUCHKUVUHSVGLK-XQLPTFJDSA-N 1 0 268.445 2.366 10 0 CEAERO COc1ncccc1C[NH2+][C@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085674296 179111677 /nfs/dbraw/zinc/11/16/77/179111677.db2.gz NCLAUMPTKOPJLE-IHRRRGAJSA-N 1 0 276.380 2.383 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+][C@@H]2CN3CCC2CC3)C12CCCC2 ZINC000085678062 179112467 /nfs/dbraw/zinc/11/24/67/179112467.db2.gz VSKGAKYRGKISFA-OAGGEKHMSA-N 1 0 278.440 2.408 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]CCc2nccn2C)C12CCCC2 ZINC000085680388 179113307 /nfs/dbraw/zinc/11/33/07/179113307.db2.gz KHGXWYPJDMTMNE-ZIAGYGMSSA-N 1 0 277.412 2.290 10 0 CEAERO COC1(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CCCC1 ZINC000336796943 365820704 /nfs/dbraw/zinc/82/07/04/365820704.db2.gz XJIZOKSICCNWSR-YNEHKIRRSA-N 1 0 253.386 2.349 10 0 CEAERO C[C@@H]([NH3+])Cc1cc(F)ccc1N1C[C@H](C)O[C@@H](C)C1 ZINC000111487559 136562598 /nfs/dbraw/zinc/56/25/98/136562598.db2.gz TWYQACGSVWYLIR-WOPDTQHZSA-N 1 0 266.360 2.329 10 0 CEAERO C[C@@H]1Cc2ccccc2N([C@@H](C[NH3+])c2cnn(C)c2)C1 ZINC000112877127 136566990 /nfs/dbraw/zinc/56/69/90/136566990.db2.gz TWGPSINEZZEQMR-WBMJQRKESA-N 1 0 270.380 2.119 10 0 CEAERO Cc1nc(NC(=O)CC[C@@H](C)[NH3+])ccc1Br ZINC000085729044 179131816 /nfs/dbraw/zinc/13/18/16/179131816.db2.gz ZDHCYCPKTUNRQH-SSDOTTSWSA-N 1 0 286.173 2.218 10 0 CEAERO CC[NH+]1CCN(c2ccc(N)c(OC(C)C)c2)CC1 ZINC000118389829 136575164 /nfs/dbraw/zinc/57/51/64/136575164.db2.gz IEPJPDJUEGJZFI-UHFFFAOYSA-N 1 0 263.385 2.198 10 0 CEAERO C[C@@H]1CCc2ccccc2N1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000019410705 136577393 /nfs/dbraw/zinc/57/73/93/136577393.db2.gz UIYDFPCTFCJMAD-TZMCWYRMSA-N 1 0 258.365 2.354 10 0 CEAERO CS[C@@H](C)CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000129366098 365851518 /nfs/dbraw/zinc/85/15/18/365851518.db2.gz JWDWNQFVRXXQQX-GXTWGEPZSA-N 1 0 280.437 2.027 10 0 CEAERO C[C@@H](CNc1nc(Cl)ncc1Br)[NH+](C)C ZINC000085787766 179171585 /nfs/dbraw/zinc/17/15/85/179171585.db2.gz XDRGPFDXMGSLNQ-LURJTMIESA-N 1 0 293.596 2.255 10 0 CEAERO [NH3+]Cc1ccccc1NC(=O)[C@@H]1OCCc2ccccc21 ZINC000085810129 179177305 /nfs/dbraw/zinc/17/73/05/179177305.db2.gz JUOOAIKJYMSLPF-MRXNPFEDSA-N 1 0 282.343 2.398 10 0 CEAERO CC(C)(C)n1c2ccccc2nc1[C@]1([NH3+])CCOC1 ZINC000085849329 179187486 /nfs/dbraw/zinc/18/74/86/179187486.db2.gz ZGFKPTFRNHJVGM-HNNXBMFYSA-N 1 0 259.353 2.366 10 0 CEAERO CC(C)(C)C[C@H](NC(=O)[C@@]1([NH3+])CCOC1)c1ccccc1 ZINC000085869965 179192436 /nfs/dbraw/zinc/19/24/36/179192436.db2.gz UJQNOHMOTPMBQE-WMLDXEAASA-N 1 0 290.407 2.398 10 0 CEAERO O[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000085974144 179207670 /nfs/dbraw/zinc/20/76/70/179207670.db2.gz GUEZGIOLPRLEQI-OLZOCXBDSA-N 1 0 263.337 2.056 10 0 CEAERO CC[NH2+][C@@H](CCO)CSc1nc2cc(OC)ccc2[nH]1 ZINC000085928756 179202666 /nfs/dbraw/zinc/20/26/66/179202666.db2.gz CRELGCXKPVQLLX-JTQLQIEISA-N 1 0 295.408 2.024 10 0 CEAERO CCCc1cc(=O)[nH]c(S[C@H]2CC[C@H]([NH2+]C)[C@@H]2C)n1 ZINC000086044557 179223021 /nfs/dbraw/zinc/22/30/21/179223021.db2.gz WLUJFIWNRFNRJP-DLOVCJGASA-N 1 0 281.425 2.201 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000086066358 179223879 /nfs/dbraw/zinc/22/38/79/179223879.db2.gz HYTSPPUEFMBAKU-YUMQZZPRSA-N 1 0 260.790 2.434 10 0 CEAERO C[C@@H]1CC[C@H]([NH2+]CC(=O)NCc2ccccc2)[C@@H]1C ZINC000086076220 179225693 /nfs/dbraw/zinc/22/56/93/179225693.db2.gz LOTWTCQJUWZXOR-NFAWXSAZSA-N 1 0 260.381 2.327 10 0 CEAERO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(N)=O)cc2F)[C@@H]1C ZINC000086075896 179226044 /nfs/dbraw/zinc/22/60/44/179226044.db2.gz LFBCROFAEWZNER-RULNRJAQSA-N 1 0 264.344 2.449 10 0 CEAERO [NH3+][C@H](c1csc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000086020174 179218134 /nfs/dbraw/zinc/21/81/34/179218134.db2.gz RMAPDAHBOYUOLE-RNCFNFMXSA-N 1 0 281.402 2.336 10 0 CEAERO CC[NH2+][C@H](c1ccc(OC)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000086021015 179218794 /nfs/dbraw/zinc/21/87/94/179218794.db2.gz ISLNSUVFZPUKAN-DOMZBBRYSA-N 1 0 297.420 2.089 10 0 CEAERO C[NH2+][C@@H]1CC[C@H](S(=O)(=O)c2ccc(F)cc2F)[C@@H]1C ZINC000086041063 179222110 /nfs/dbraw/zinc/22/21/10/179222110.db2.gz LUJZILKVCMCZHS-FXAINCCUSA-N 1 0 289.347 2.125 10 0 CEAERO C[C@@]1(c2ccccc2)C[N@H+](CCc2cccnc2)CCN1 ZINC000086141918 179236258 /nfs/dbraw/zinc/23/62/58/179236258.db2.gz YHBSNJOEVSTRPZ-SFHVURJKSA-N 1 0 281.403 2.445 10 0 CEAERO C[C@@]1(c2ccccc2)C[N@H+](CCc2ccccn2)CCN1 ZINC000086130604 179236888 /nfs/dbraw/zinc/23/68/88/179236888.db2.gz FRFKJPVOYZLTTA-SFHVURJKSA-N 1 0 281.403 2.445 10 0 CEAERO CCC[C@H](C)NC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000605011185 347438941 /nfs/dbraw/zinc/43/89/41/347438941.db2.gz YYRXVIDQWXKWGN-MJBXVCDLSA-N 1 0 267.417 2.443 10 0 CEAERO CC[C@@H]1CC[C@@H](NC(=O)C2(C[NH3+])CCCC2)[C@@H]1C ZINC000086084124 179228808 /nfs/dbraw/zinc/22/88/08/179228808.db2.gz WASHOYRVJUOGFO-JHJVBQTASA-N 1 0 252.402 2.446 10 0 CEAERO CC[C@H]1CC[C@@H](NC(=O)C[NH2+]C2CCCC2)[C@@H]1C ZINC000086093878 179228878 /nfs/dbraw/zinc/22/88/78/179228878.db2.gz WXLYDDHAIQWXTH-MBNYWOFBSA-N 1 0 252.402 2.460 10 0 CEAERO CC[C@@H]1CC[C@@H](NC(=O)C2CCC([NH3+])CC2)[C@@H]1C ZINC000086094448 179228948 /nfs/dbraw/zinc/22/89/48/179228948.db2.gz LEZXNKFHDQBDJG-KPHYFBGPSA-N 1 0 252.402 2.445 10 0 CEAERO CC[C@H]1CC[C@@H]([NH2+][C@@H](C)C(=O)N2CCCC2)[C@@H]1C ZINC000086096953 179229363 /nfs/dbraw/zinc/22/93/63/179229363.db2.gz WDJKRSPRUPWHKO-ZOBORPQBSA-N 1 0 252.402 2.412 10 0 CEAERO CC[C@H]1CC[C@@H]([NH2+]CC(=O)NC2CCCC2)[C@@H]1C ZINC000086095898 179229574 /nfs/dbraw/zinc/22/95/74/179229574.db2.gz GKKWLIOHDQRMDL-MBNYWOFBSA-N 1 0 252.402 2.460 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C)CN1CCc1ccc2c(c1)OCCO2 ZINC000086151961 179240678 /nfs/dbraw/zinc/24/06/78/179240678.db2.gz QBBKPYTVASZYLC-DZGCQCFKSA-N 1 0 290.407 2.073 10 0 CEAERO CC[C@H](C)[C@H]1C[N@@H+](C2CCOCC2)[C@@H](CC)CN1 ZINC000086154432 179241597 /nfs/dbraw/zinc/24/15/97/179241597.db2.gz QANHMRTVSDDYHF-KCQAQPDRSA-N 1 0 254.418 2.264 10 0 CEAERO C[C@@H]1CN[C@H](Cc2ccccc2)C[N@@H+]1C1CCOCC1 ZINC000086154444 179241702 /nfs/dbraw/zinc/24/17/02/179241702.db2.gz GLLAMSONOWUOCN-GDBMZVCRSA-N 1 0 274.408 2.070 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1Cc1cscn1 ZINC000086175748 179245343 /nfs/dbraw/zinc/24/53/43/179245343.db2.gz DAJQHEJVXIWONY-CHWSQXEVSA-N 1 0 253.415 2.352 10 0 CEAERO Cc1ncsc1CN1C[C@@H](C)[NH2+]C[C@@H]1C(C)C ZINC000086175525 179245458 /nfs/dbraw/zinc/24/54/58/179245458.db2.gz OCCLPOGIVLUDFX-ZYHUDNBSSA-N 1 0 253.415 2.270 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C)CN1C[C@@H]1Cc2ccccc2O1 ZINC000086174466 179245797 /nfs/dbraw/zinc/24/57/97/179245797.db2.gz CRWPWINPKGYWOC-QEJZJMRPSA-N 1 0 260.381 2.062 10 0 CEAERO C[C@@H]1C[NH2+]C(C)(C)CN1CCc1ccc2c(c1)OCCO2 ZINC000086180210 179247045 /nfs/dbraw/zinc/24/70/45/179247045.db2.gz NYKZPFZOUZTQNY-CYBMUJFWSA-N 1 0 290.407 2.073 10 0 CEAERO COCCCCN1CC[NH2+][C@@H](C2CCCCC2)C1 ZINC000086145862 179238794 /nfs/dbraw/zinc/23/87/94/179238794.db2.gz MZHLSUPOMYSCCN-OAHLLOKOSA-N 1 0 254.418 2.267 10 0 CEAERO COCCCCN1CC[NH2+][C@H](C2CCCCC2)C1 ZINC000086145860 179239019 /nfs/dbraw/zinc/23/90/19/179239019.db2.gz MZHLSUPOMYSCCN-HNNXBMFYSA-N 1 0 254.418 2.267 10 0 CEAERO CCC[C@H]1CN(c2cnn(C)c2)[C@H](C(C)C)C[NH2+]1 ZINC000086218377 179249694 /nfs/dbraw/zinc/24/96/94/179249694.db2.gz SVZLQHSSJBEWCM-JSGCOSHPSA-N 1 0 250.390 2.023 10 0 CEAERO Cn1cc(N2CC(C)(C)[NH2+]C[C@@H]2c2ccccc2)cn1 ZINC000086218275 179249745 /nfs/dbraw/zinc/24/97/45/179249745.db2.gz HTPLDVUOVVUGDA-OAHLLOKOSA-N 1 0 270.380 2.350 10 0 CEAERO C[C@H]1C[NH2+][C@H](C(C)(C)C)CN1CCc1cccnc1 ZINC000086223255 179251817 /nfs/dbraw/zinc/25/18/17/179251817.db2.gz QAAJXAFHGVEIPL-ZFWWWQNUSA-N 1 0 261.413 2.333 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C2CC2)CN1CCc1cccnc1 ZINC000086223232 179252065 /nfs/dbraw/zinc/25/20/65/179252065.db2.gz KCWSFTHLYBJERE-HZPDHXFCSA-N 1 0 259.397 2.087 10 0 CEAERO CC[C@]1(C)CN(c2cnn(CCOC)c2)[C@H](C(C)C)C[NH2+]1 ZINC000086227210 179253868 /nfs/dbraw/zinc/25/38/68/179253868.db2.gz QLZPNXQSLWUTQR-JKSUJKDBSA-N 1 0 294.443 2.132 10 0 CEAERO Cc1cnn([C@@H]2CCC[N@H+](Cc3cnoc3C)C2)c1 ZINC000128555359 187377488 /nfs/dbraw/zinc/37/74/88/187377488.db2.gz DIBDFXCSTBQCMX-CQSZACIVSA-N 1 0 260.341 2.325 10 0 CEAERO Cc1cc(CN2C[C@@H](C(C)(C)C)[NH2+]C[C@@H]2C)on1 ZINC000086260418 179260426 /nfs/dbraw/zinc/26/04/26/179260426.db2.gz WZCVZAVUSVCLFG-AAEUAGOBSA-N 1 0 251.374 2.191 10 0 CEAERO CC[C@H]1CN(CCc2nccs2)[C@@H](CC)C[NH2+]1 ZINC000086264354 179261112 /nfs/dbraw/zinc/26/11/12/179261112.db2.gz OOCCALXDNNRRPS-RYUDHWBXSA-N 1 0 253.415 2.148 10 0 CEAERO CC[C@@H]1CN[C@](C)(C2CC2)C[N@@H+]1[C@@H]1CCCOC1 ZINC000086265151 179261462 /nfs/dbraw/zinc/26/14/62/179261462.db2.gz QWZPFAMMRPAERA-KFWWJZLASA-N 1 0 252.402 2.018 10 0 CEAERO COc1ccc(CN2C[C@@H](C3CC3)[NH2+]C[C@@H]2C)c(OC)c1 ZINC000086265266 179262268 /nfs/dbraw/zinc/26/22/68/179262268.db2.gz MUXXLMOCYBCQPO-LRDDRELGSA-N 1 0 290.407 2.276 10 0 CEAERO CCOCCC[N@@H+]1CCCN[C@@H](c2ccccc2)C1 ZINC000086286261 179264769 /nfs/dbraw/zinc/26/47/69/179264769.db2.gz UFKLLSSXXLAPMN-MRXNPFEDSA-N 1 0 262.397 2.450 10 0 CEAERO COC(=O)c1cccnc1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000336835013 365904196 /nfs/dbraw/zinc/90/41/96/365904196.db2.gz SZQQPPUZPLRINS-BETUJISGSA-N 1 0 274.364 2.490 10 0 CEAERO CCN(c1nc(Br)cs1)[C@H]1CCC[NH2+]C1 ZINC000086290839 179265551 /nfs/dbraw/zinc/26/55/51/179265551.db2.gz BEDDMEJMOSFJSS-QMMMGPOBSA-N 1 0 290.230 2.484 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1Nc1nc(Br)cs1 ZINC000086291021 179265824 /nfs/dbraw/zinc/26/58/24/179265824.db2.gz RNEQCLDIFWNQEP-RNFRBKRXSA-N 1 0 276.203 2.445 10 0 CEAERO Cc1cc(CN2CCC[NH2+][C@H](Cc3ccccc3)C2)no1 ZINC000086292077 179266037 /nfs/dbraw/zinc/26/60/37/179266037.db2.gz MKYIJXASJNLVJG-MRXNPFEDSA-N 1 0 285.391 2.390 10 0 CEAERO CC[C@H](C)[C@@H]1CN(Cc2cc(C)no2)CCC[NH2+]1 ZINC000086292719 179266042 /nfs/dbraw/zinc/26/60/42/179266042.db2.gz GYVMJGHJUYNJER-FZMZJTMJSA-N 1 0 251.374 2.193 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(Cc2cc(C)on2)CCC[NH2+]1 ZINC000086292081 179266654 /nfs/dbraw/zinc/26/66/54/179266654.db2.gz LWOGQOPZCQINLF-RISCZKNCSA-N 1 0 251.374 2.193 10 0 CEAERO CC(C)(C)[C@H]1CN(CCc2nccs2)CCC[NH2+]1 ZINC000086296858 179268087 /nfs/dbraw/zinc/26/80/87/179268087.db2.gz HBVWXUYXKQMRAS-GFCCVEGCSA-N 1 0 267.442 2.396 10 0 CEAERO CC[NH2+]C[C@H]1OCCN(C)[C@@H]1c1ccc2ccccc2n1 ZINC000086317389 179269697 /nfs/dbraw/zinc/26/96/97/179269697.db2.gz CCQYRAUJNUZOLF-IAGOWNOFSA-N 1 0 285.391 2.216 10 0 CEAERO CCC1(Cc2c(Br)c(C)nn2C)C[NH2+]C1 ZINC000086396076 179285241 /nfs/dbraw/zinc/28/52/41/179285241.db2.gz YAYPOWWGMIWPKW-UHFFFAOYSA-N 1 0 272.190 2.033 10 0 CEAERO CN(C[C@@H]1CCCO1)c1nc2c(s1)CCC[C@@H]2[NH3+] ZINC000086443531 179293939 /nfs/dbraw/zinc/29/39/39/179293939.db2.gz GQHPLPSYAXZLID-UWVGGRQHSA-N 1 0 267.398 2.094 10 0 CEAERO CC[C@@H]1CN(C(=O)[C@H]2CC=CCC2)[C@H](CC)C[NH2+]1 ZINC000086447873 179296018 /nfs/dbraw/zinc/29/60/18/179296018.db2.gz INRDTEBNMUFDCW-BFHYXJOUSA-N 1 0 250.386 2.332 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)Cc1ccccc1OC ZINC000086446303 179294835 /nfs/dbraw/zinc/29/48/35/179294835.db2.gz KTSDETCNKBULTF-LSDHHAIUSA-N 1 0 290.407 2.227 10 0 CEAERO CC[C@H]1CN(C(=O)c2ccccc2OC)[C@@H](CC)C[NH2+]1 ZINC000086446003 179295005 /nfs/dbraw/zinc/29/50/05/179295005.db2.gz JICOXGSIAVCEQB-STQMWFEESA-N 1 0 276.380 2.298 10 0 CEAERO CC[C@@H]1CN(C(=O)c2ccc(C)cc2O)[C@@H](CC)C[NH2+]1 ZINC000086448153 179295459 /nfs/dbraw/zinc/29/54/59/179295459.db2.gz OLKDPQYSIKDZGY-OLZOCXBDSA-N 1 0 276.380 2.303 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)c1ccc(C)cc1O ZINC000086448155 179295488 /nfs/dbraw/zinc/29/54/88/179295488.db2.gz OLKDPQYSIKDZGY-QWHCGFSZSA-N 1 0 276.380 2.303 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)c1ccc2c(c1)OCO2 ZINC000086447294 179295513 /nfs/dbraw/zinc/29/55/13/179295513.db2.gz DLYRDPVVYBKVBX-QWHCGFSZSA-N 1 0 290.363 2.018 10 0 CEAERO COc1ccc(F)cc1CN1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000086470680 179300789 /nfs/dbraw/zinc/30/07/89/179300789.db2.gz WMHWIRZRTMZVOY-MNOVXSKESA-N 1 0 252.333 2.017 10 0 CEAERO CC[NH2+][C@@H](CCCS(C)(=O)=O)[C@@H]1Cc2ccccc21 ZINC000086489528 179302370 /nfs/dbraw/zinc/30/23/70/179302370.db2.gz NEKUXURYOAIPIP-CABCVRRESA-N 1 0 281.421 2.129 10 0 CEAERO NNc1cc(C2CC2)nc([C@H]2Cc3ccccc32)[nH+]1 ZINC000086490652 179302600 /nfs/dbraw/zinc/30/26/00/179302600.db2.gz XPWXBJSDPGNBQK-LBPRGKRZSA-N 1 0 252.321 2.328 10 0 CEAERO C[C@@H]([NH2+]CC(C)(C)S(C)(=O)=O)c1ccsc1 ZINC000086503307 179303380 /nfs/dbraw/zinc/30/33/80/179303380.db2.gz MYCJEKSUIATQKS-SECBINFHSA-N 1 0 261.412 2.222 10 0 CEAERO CSc1cc2c(cc1C[NH2+]C[C@H]1CCOC1)OCCO2 ZINC000086506406 179303398 /nfs/dbraw/zinc/30/33/98/179303398.db2.gz SFQGTESRIOOIEZ-LLVKDONJSA-N 1 0 295.404 2.306 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCC2(CCC2)CC1 ZINC000308703737 539577695 /nfs/dbraw/zinc/57/76/95/539577695.db2.gz WPUPRKDYWNUKDF-QWHCGFSZSA-N 1 0 250.386 2.167 10 0 CEAERO CCN1C(=[NH2+])NC[C@@]1(C)c1ccccc1Br ZINC000086459605 179296461 /nfs/dbraw/zinc/29/64/61/179296461.db2.gz OWYPSJSKHURNBB-LBPRGKRZSA-N 1 0 282.185 2.315 10 0 CEAERO CC[C@H]1CN(Cc2c(C)nn(C)c2Cl)[C@@H](CC)C[NH2+]1 ZINC000086463763 179296481 /nfs/dbraw/zinc/29/64/81/179296481.db2.gz DQEGOSZDZHCNMN-RYUDHWBXSA-N 1 0 284.835 2.344 10 0 CEAERO CC[C@H]1CN(CC(=O)NC2CCCCCC2)[C@@H](CC)C[NH2+]1 ZINC000086465040 179297135 /nfs/dbraw/zinc/29/71/35/179297135.db2.gz HDDUZUHXEMVIMB-HOCLYGCPSA-N 1 0 295.471 2.288 10 0 CEAERO C[C@H]1CN(C(=O)C23CC4CC(CC(C4)C2)C3)[C@@H](C)C[NH2+]1 ZINC000086467929 179298946 /nfs/dbraw/zinc/29/89/46/179298946.db2.gz XGTJEWOVTMSBDU-HOGDBLQHSA-N 1 0 276.424 2.412 10 0 CEAERO CO[C@@H](C)[C@H]([NH3+])Cc1cc(F)ccc1Br ZINC000086575749 179308416 /nfs/dbraw/zinc/30/84/16/179308416.db2.gz BHWCKJXEOQMNNM-WRWORJQWSA-N 1 0 276.149 2.493 10 0 CEAERO COc1ccc(Br)c(C[C@H]([NH3+])[C@@H](C)OC)c1 ZINC000086576229 179308424 /nfs/dbraw/zinc/30/84/24/179308424.db2.gz QXKBWEPLVVOPKX-PELKAZGASA-N 1 0 288.185 2.362 10 0 CEAERO CCCn1c2ccc(C[NH3+])cc2nc1[C@@H]1CCOC1 ZINC000086641355 179315167 /nfs/dbraw/zinc/31/51/67/179315167.db2.gz KXSUHZKAXSQHFI-GFCCVEGCSA-N 1 0 259.353 2.409 10 0 CEAERO [NH3+][C@]1(CO)CC[C@H](Sc2ccc(Cl)cn2)C1 ZINC000086637080 179315318 /nfs/dbraw/zinc/31/53/18/179315318.db2.gz RDEAYEPIQMKLQU-GXSJLCMTSA-N 1 0 258.774 2.069 10 0 CEAERO C[NH2+]Cc1csc(I)c1 ZINC000086688860 179320983 /nfs/dbraw/zinc/32/09/83/179320983.db2.gz SKPQXVWVOKXOCL-UHFFFAOYSA-N 1 0 253.108 2.072 10 0 CEAERO Cc1nc(SCCCC[C@@](C)([NH3+])CO)nc(C)c1C ZINC000086646910 179316281 /nfs/dbraw/zinc/31/62/81/179316281.db2.gz RXMABYKIOXFYQW-CQSZACIVSA-N 1 0 283.441 2.374 10 0 CEAERO CS(=O)(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1Cl ZINC000086669938 179316914 /nfs/dbraw/zinc/31/69/14/179316914.db2.gz LDRPQRGTDAMDBW-CHWSQXEVSA-N 1 0 287.812 2.395 10 0 CEAERO O[C@@H](c1ccc2c(c1)OCO2)[C@H]1[NH2+]Cc2ccccc21 ZINC000086667409 179317413 /nfs/dbraw/zinc/31/74/13/179317413.db2.gz HBKGXYPTAYURDX-HOTGVXAUSA-N 1 0 269.300 2.293 10 0 CEAERO Cc1cccc(C[NH2+][C@H]2CCC[C@H]2S(C)(=O)=O)c1 ZINC000086671438 179317552 /nfs/dbraw/zinc/31/75/52/179317552.db2.gz PKXRWIUHNMDKDT-UONOGXRCSA-N 1 0 267.394 2.050 10 0 CEAERO C[C@H](C[NH2+][C@H]1CCC[C@@H]1S(C)(=O)=O)c1ccccc1 ZINC000086671487 179317616 /nfs/dbraw/zinc/31/76/16/179317616.db2.gz ORTOETBKKOKKQL-SNPRPXQTSA-N 1 0 281.421 2.345 10 0 CEAERO CS(=O)(=O)[C@@H]1CCC[C@@H]1[NH2+]CC1CCCCC1 ZINC000086672215 179317620 /nfs/dbraw/zinc/31/76/20/179317620.db2.gz ZYABCIHXHCBUJK-QWHCGFSZSA-N 1 0 259.415 2.122 10 0 CEAERO CS(=O)(=O)[C@H]1CCC[C@H]1[NH2+]C1CCCCCC1 ZINC000086671051 179318048 /nfs/dbraw/zinc/31/80/48/179318048.db2.gz UUBJBOCMMPNYQB-OLZOCXBDSA-N 1 0 259.415 2.265 10 0 CEAERO Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1S(C)(=O)=O ZINC000086674777 179318882 /nfs/dbraw/zinc/31/88/82/179318882.db2.gz RSESOHLLAIQQFG-ZIAGYGMSSA-N 1 0 267.394 2.050 10 0 CEAERO CC(C)[NH+]1CCC([N@@H+]2CCC[C@@H](CC(=O)[O-])C2)CC1 ZINC000086757494 179323712 /nfs/dbraw/zinc/32/37/12/179323712.db2.gz FBXXZXZDNLMOPN-ZDUSSCGKSA-N 1 0 268.401 2.046 10 0 CEAERO CC[C@H](C1CC1)[NH+]1CCC([N@@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000086776220 179327741 /nfs/dbraw/zinc/32/77/41/179327741.db2.gz DETPSNSYKYTQCJ-HUUCEWRRSA-N 1 0 280.412 2.188 10 0 CEAERO Cc1ccccc1[C@H](C)N1CCO[C@H](C[NH+](C)C)C1 ZINC000130366592 365948874 /nfs/dbraw/zinc/94/88/74/365948874.db2.gz PBKYSHFWENECLL-LSDHHAIUSA-N 1 0 262.397 2.318 10 0 CEAERO C[C@@H]1CCC[C@H](C[NH3+])N1Cc1cnc(Cl)s1 ZINC000086777886 179328631 /nfs/dbraw/zinc/32/86/31/179328631.db2.gz XYGFCAKYDWQCBR-RKDXNWHRSA-N 1 0 259.806 2.498 10 0 CEAERO CCC(CC)NC(=O)CO[C@]1(C[NH3+])CCC[C@H](C)C1 ZINC000086713095 179322759 /nfs/dbraw/zinc/32/27/59/179322759.db2.gz PBWKJCSKFMYGOX-SWLSCSKDSA-N 1 0 270.417 2.215 10 0 CEAERO CCC1CCC(C[NH3+])(O[C@H](C)C(=O)NCC(C)C)CC1 ZINC000086713179 179322769 /nfs/dbraw/zinc/32/27/69/179322769.db2.gz AFLMMIQWCXRHFJ-VQCLRJIVSA-N 1 0 284.444 2.461 10 0 CEAERO CCC(C)(C)NC(=O)CO[C@]1(C[NH3+])CCC[C@H](C)C1 ZINC000086712481 179322782 /nfs/dbraw/zinc/32/27/82/179322782.db2.gz JNIZZQYEVKIMEY-SWLSCSKDSA-N 1 0 270.417 2.215 10 0 CEAERO CCCC1CCC(C[NH3+])(OCCS(=O)(=O)CC)CC1 ZINC000086713417 179322878 /nfs/dbraw/zinc/32/28/78/179322878.db2.gz HEYAKPUREFZFIM-UHFFFAOYSA-N 1 0 291.457 2.126 10 0 CEAERO C[C@H]1CCC[C@@](C[NH3+])(OCC(=O)NC2CCCCC2)C1 ZINC000086713056 179322938 /nfs/dbraw/zinc/32/29/38/179322938.db2.gz VPEICTGNRBBKNL-XJKSGUPXSA-N 1 0 282.428 2.360 10 0 CEAERO CC(C)NC(=O)[C@@H](C)OC1(C[NH3+])CCC(C(C)C)CC1 ZINC000086713606 179323003 /nfs/dbraw/zinc/32/30/03/179323003.db2.gz IBWOSNRJUJRYGM-VQCLRJIVSA-N 1 0 284.444 2.460 10 0 CEAERO C[NH2+]Cc1nc(-c2ncc(Cl)cc2Cl)no1 ZINC000086782951 179330751 /nfs/dbraw/zinc/33/07/51/179330751.db2.gz CRQBQYLJZAENCD-UHFFFAOYSA-N 1 0 259.096 2.158 10 0 CEAERO C[NH2+][C@@H](Cc1nccs1)Cc1nc(C)cs1 ZINC000086827573 179347947 /nfs/dbraw/zinc/34/79/47/179347947.db2.gz AICUSTWFQFYINA-VIFPVBQESA-N 1 0 253.396 2.281 10 0 CEAERO C[N@@H+]1CCC[C@@H](Nc2ccc(Cn3cncn3)cc2)CC1 ZINC000086817542 179344992 /nfs/dbraw/zinc/34/49/92/179344992.db2.gz LRMNBYQNVWZVQU-OAHLLOKOSA-N 1 0 285.395 2.223 10 0 CEAERO Cc1c(F)cc(C(N)=O)cc1N[C@@H]1CCC[N@@H+](C)CC1 ZINC000086818357 179346884 /nfs/dbraw/zinc/34/68/84/179346884.db2.gz KJOMSGDPNAPEPA-GFCCVEGCSA-N 1 0 279.359 2.129 10 0 CEAERO C[N@H+](Cc1ccc(C(=O)[O-])cc1)[C@@H]1CCC[NH+](C)CC1 ZINC000086834414 179350068 /nfs/dbraw/zinc/35/00/68/179350068.db2.gz XMADHEBXQRWBJD-OAHLLOKOSA-N 1 0 276.380 2.301 10 0 CEAERO CCOC(=O)C[C@@]1([NH+](CC)CC)CCCN(C)CC1 ZINC000086834405 179350624 /nfs/dbraw/zinc/35/06/24/179350624.db2.gz LQHZSDNTQGCYTD-OAHLLOKOSA-N 1 0 270.417 2.136 10 0 CEAERO COC(=O)[C@H](CC(C)C)N[C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086838325 179351306 /nfs/dbraw/zinc/35/13/06/179351306.db2.gz RBINWAIGCDNPEH-CABCVRRESA-N 1 0 284.444 2.427 10 0 CEAERO COC(=O)[C@@H](N[C@H]1CCC[N@@H+](C(C)C)CC1)C(C)C ZINC000086837384 179351629 /nfs/dbraw/zinc/35/16/29/179351629.db2.gz JAHJRVWWTMJGOR-KBPBESRZSA-N 1 0 270.417 2.037 10 0 CEAERO CC[N@@H+]1CCC[C@@](NC)(c2nc(C)cs2)CC1 ZINC000086851390 179359499 /nfs/dbraw/zinc/35/94/99/179359499.db2.gz AEDPJNQWRJDSOB-ZDUSSCGKSA-N 1 0 253.415 2.372 10 0 CEAERO CCC[N@@H+]1CCC[C@@](O)(c2cc(Cl)cnc2N)CC1 ZINC000086852819 179359918 /nfs/dbraw/zinc/35/99/18/179359918.db2.gz GPWGFWKPTUHJPA-AWEZNQCLSA-N 1 0 283.803 2.401 10 0 CEAERO CCC[C@@](C)([NH2+][C@@H]1CCC[N@@H+](C(C)C)CC1)C(=O)[O-] ZINC000086868655 179361252 /nfs/dbraw/zinc/36/12/52/179361252.db2.gz HVNZCNGIEKGVJX-UKRRQHHQSA-N 1 0 270.417 2.482 10 0 CEAERO CCC[N@@H+]1CCC[C@H]([NH+](CC(=O)[O-])CC(C)C)CC1 ZINC000086869085 179361797 /nfs/dbraw/zinc/36/17/97/179361797.db2.gz SEMSCINLEJGMDL-AWEZNQCLSA-N 1 0 270.417 2.294 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCCOCC1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000086873237 179364707 /nfs/dbraw/zinc/36/47/07/179364707.db2.gz FVVMVDJYICSHNI-CMPLNLGQSA-N 1 0 275.352 2.076 10 0 CEAERO COC(=O)[C@@]1(NCC(C)C)CCC[N@@H+](C(C)C)CC1 ZINC000086850274 179358341 /nfs/dbraw/zinc/35/83/41/179358341.db2.gz VTIHSIXBOJKBNF-OAHLLOKOSA-N 1 0 270.417 2.038 10 0 CEAERO CC(C)c1nc([C@]2(N)CCC[N@@H+](C(C)C)CC2)no1 ZINC000086851749 179359111 /nfs/dbraw/zinc/35/91/11/179359111.db2.gz QXFWRCCFDLBXCM-AWEZNQCLSA-N 1 0 266.389 2.241 10 0 CEAERO CCS(=O)(=O)CCC[C@]1([NH3+])CCC[C@@H](C)CC1 ZINC000086977555 179372461 /nfs/dbraw/zinc/37/24/61/179372461.db2.gz OSVWPKYGUPVYOF-CHWSQXEVSA-N 1 0 261.431 2.499 10 0 CEAERO CCS(=O)(=O)CCC[C@H](C[NH2+]C1CC1)C(C)C ZINC000086980845 179372935 /nfs/dbraw/zinc/37/29/35/179372935.db2.gz WFVVIXUDRUUAMD-GFCCVEGCSA-N 1 0 261.431 2.226 10 0 CEAERO CCS(=O)(=O)CCC[C@H](C[NH3+])Cc1cccc(OC)c1 ZINC000086980703 179373079 /nfs/dbraw/zinc/37/30/79/179373079.db2.gz MQBQFVAFUYZYNU-AWEZNQCLSA-N 1 0 299.436 2.028 10 0 CEAERO CCC[C@@](C)(CCCS(=O)(=O)CC)C[NH2+]CCOC ZINC000086981077 179373225 /nfs/dbraw/zinc/37/32/25/179373225.db2.gz UDCVTJPFIAVOBY-AWEZNQCLSA-N 1 0 293.473 2.244 10 0 CEAERO NC[C@@]1([N@@H+]2CC[C@@H](c3ccccc3)C2)CCCOCC1 ZINC000086875616 179365183 /nfs/dbraw/zinc/36/51/83/179365183.db2.gz AZSAOKNZHLXQLX-IAGOWNOFSA-N 1 0 274.408 2.374 10 0 CEAERO CN(c1ccc(F)cc1)[C@@]1(C[NH3+])CCCOCC1 ZINC000086875523 179365473 /nfs/dbraw/zinc/36/54/73/179365473.db2.gz CXLGVPZHHHPYSF-AWEZNQCLSA-N 1 0 252.333 2.160 10 0 CEAERO COCC[NH2+][C@]1(c2nc3c(s2)CCC3)CCCOCC1 ZINC000086877113 179365517 /nfs/dbraw/zinc/36/55/17/179365517.db2.gz BIDSVDHVNIUIDM-OAHLLOKOSA-N 1 0 296.436 2.264 10 0 CEAERO CC1CCC([N@H+](C)[C@@]2(CN)CCCOCC2)CC1 ZINC000086875221 179365674 /nfs/dbraw/zinc/36/56/74/179365674.db2.gz CXFYLGBJQLEKJN-NRXISQOPSA-N 1 0 254.418 2.395 10 0 CEAERO C[C@@H]1CCC[C@@](C[NH3+])(N(C)Cc2cnn(C)c2)CC1 ZINC000086890999 179365943 /nfs/dbraw/zinc/36/59/43/179365943.db2.gz ZDGATUOGTVJJNU-UKRRQHHQSA-N 1 0 264.417 2.150 10 0 CEAERO COCC(=O)N1CCC([NH2+][C@H]2CCC[C@@H](C)CC2)CC1 ZINC000086887303 179366111 /nfs/dbraw/zinc/36/61/11/179366111.db2.gz QRLXLDLGLLDTEO-KGLIPLIRSA-N 1 0 282.428 2.182 10 0 CEAERO COC1CC[NH+]([C@]2(CN)CCC[C@@H](C)CC2)CC1 ZINC000086890604 179366181 /nfs/dbraw/zinc/36/61/81/179366181.db2.gz RQBUOBZCUDSSAA-UKRRQHHQSA-N 1 0 254.418 2.395 10 0 CEAERO C[C@H]1CCC[C@](C[NH3+])(N(C)Cc2cnn(C)c2)CC1 ZINC000086891005 179366414 /nfs/dbraw/zinc/36/64/14/179366414.db2.gz ZDGATUOGTVJJNU-ZFWWWQNUSA-N 1 0 264.417 2.150 10 0 CEAERO COC(=O)[C@]1(NCC[NH+](C)C)CCCC(C)(C)CC1 ZINC000086915931 179367165 /nfs/dbraw/zinc/36/71/65/179367165.db2.gz HIDRZULCPAAGRO-HNNXBMFYSA-N 1 0 270.417 2.040 10 0 CEAERO CC(C)[C@H]1CCC[C@H]([NH2+]C2CCN(CC(N)=O)CC2)CC1 ZINC000086943267 179368111 /nfs/dbraw/zinc/36/81/11/179368111.db2.gz WUOMQGZPZHKCJA-GJZGRUSLSA-N 1 0 295.471 2.131 10 0 CEAERO CC(C)(C)[C@@H]1CCC[C@H]([NH2+]CCNS(C)(=O)=O)CC1 ZINC000086955091 179368895 /nfs/dbraw/zinc/36/88/95/179368895.db2.gz CBEUIWVKDAPNKB-OLZOCXBDSA-N 1 0 290.473 2.120 10 0 CEAERO COC(=O)[C@]1(NCC[NH+](C)C)CCC[C@H](C(C)C)CC1 ZINC000086949898 179369030 /nfs/dbraw/zinc/36/90/30/179369030.db2.gz WXDMLHAHNZGGRH-HOCLYGCPSA-N 1 0 284.444 2.286 10 0 CEAERO C[NH2+][C@@H](c1cnccc1C)[C@H]1CSCCS1 ZINC000086984801 179373892 /nfs/dbraw/zinc/37/38/92/179373892.db2.gz LOJMBSYCWGOIFC-NEPJUHHUSA-N 1 0 254.424 2.499 10 0 CEAERO CC[NH2+][C@H]1CCCC[C@@H]1CCCS(=O)(=O)CC ZINC000086976290 179371900 /nfs/dbraw/zinc/37/19/00/179371900.db2.gz FAZLODIPWDVVQD-OLZOCXBDSA-N 1 0 261.431 2.370 10 0 CEAERO CCC(O)(CC)C[NH2+][C@H](C)c1ccc(NC(N)=O)cc1 ZINC000087015395 179379722 /nfs/dbraw/zinc/37/97/22/179379722.db2.gz SZFVVTLGKWQJCV-LLVKDONJSA-N 1 0 279.384 2.379 10 0 CEAERO C[C@@H]([NH2+]CC1(O)CCCCC1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000087018066 179380619 /nfs/dbraw/zinc/38/06/19/179380619.db2.gz JZWPTGWMLYJTIQ-LLVKDONJSA-N 1 0 289.379 2.202 10 0 CEAERO CCCn1cc([C@H]([NH3+])[C@H]2CSCCS2)cn1 ZINC000086984265 179374113 /nfs/dbraw/zinc/37/41/13/179374113.db2.gz IPEPAJLBOKNQQJ-MNOVXSKESA-N 1 0 257.428 2.142 10 0 CEAERO C[NH2+][C@H](CCc1cccs1)[C@@H]1CSCCO1 ZINC000086988593 179374656 /nfs/dbraw/zinc/37/46/56/179374656.db2.gz TXUBNMSDXFKZKJ-NEPJUHHUSA-N 1 0 257.424 2.401 10 0 CEAERO COc1ccc([C@H](C[NH3+])N2CCCSCC2)cc1F ZINC000086991746 179375399 /nfs/dbraw/zinc/37/53/99/179375399.db2.gz QCZPMGQYBXEATL-ZDUSSCGKSA-N 1 0 284.400 2.273 10 0 CEAERO COc1ccc([C@H]2[C@@H]([NH3+])CCCN2C2CC2)cc1F ZINC000086995369 179375875 /nfs/dbraw/zinc/37/58/75/179375875.db2.gz WQHAKCUTFYYMEW-ZFWWWQNUSA-N 1 0 264.344 2.461 10 0 CEAERO COc1ccc([C@H]2[C@H]([NH3+])CC(=O)N2C(C)(C)C)cc1F ZINC000086995272 179375994 /nfs/dbraw/zinc/37/59/94/179375994.db2.gz KEXVHBIRTFJPMA-RISCZKNCSA-N 1 0 280.343 2.234 10 0 CEAERO COc1ccc([C@H]2[C@H]([NH3+])CCN2C2CC2)cc1F ZINC000086995395 179376252 /nfs/dbraw/zinc/37/62/52/179376252.db2.gz IITUWGVZBVFIOS-OCCSQVGLSA-N 1 0 250.317 2.071 10 0 CEAERO C[C@@H]1CC[C@H](CNC(=O)c2c(F)cc(F)cc2F)C[NH2+]1 ZINC000086996409 179376856 /nfs/dbraw/zinc/37/68/56/179376856.db2.gz MGWZKXDTMVJAQL-BDAKNGLRSA-N 1 0 286.297 2.222 10 0 CEAERO C[C@@H]([NH2+]CC1(O)CCC(C)(C)CC1)c1cc[nH]n1 ZINC000087046476 179388041 /nfs/dbraw/zinc/38/80/41/179388041.db2.gz WURJEVTXDBNIHU-LLVKDONJSA-N 1 0 251.374 2.392 10 0 CEAERO CCC1CCC(O)(C[NH2+]Cc2[nH]cnc2C)CC1 ZINC000087061411 179389389 /nfs/dbraw/zinc/38/93/89/179389389.db2.gz SDKCAEIYJJEBJO-UHFFFAOYSA-N 1 0 251.374 2.139 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)Nc1cc(Br)ccc1O ZINC000087049223 179388759 /nfs/dbraw/zinc/38/87/59/179388759.db2.gz VLSCDIPDDLSDOB-ZETCQYMHSA-N 1 0 287.157 2.078 10 0 CEAERO NC(=[NH2+])c1ccc(O[C@@H]2CCOC2)cc1C(F)(F)F ZINC000104117403 185898917 /nfs/dbraw/zinc/89/89/17/185898917.db2.gz ZADOHYRUIKENTJ-MRVPVSSYSA-N 1 0 274.242 2.157 10 0 CEAERO CC[C@H]1C[NH2+]C[C@@H](c2cccc(OC)c2OC)O1 ZINC000087090157 179394399 /nfs/dbraw/zinc/39/43/99/179394399.db2.gz FXWGLJWXDBMLMI-GWCFXTLKSA-N 1 0 251.326 2.143 10 0 CEAERO CC[NH2+][C@@H](Cc1nc(CSCC)no1)C(C)C ZINC000087106686 179394595 /nfs/dbraw/zinc/39/45/95/179394595.db2.gz XOIFHZUUYCPCFG-JTQLQIEISA-N 1 0 257.403 2.499 10 0 CEAERO CCSCc1noc([C@]2(C(F)(F)F)CC[NH2+]C2)n1 ZINC000087105359 179394609 /nfs/dbraw/zinc/39/46/09/179394609.db2.gz CIFZMWQARFFMCR-VIFPVBQESA-N 1 0 281.303 2.116 10 0 CEAERO CCCSCc1nc(C)c(CC[NH2+]C)c(C)n1 ZINC000087108234 179395206 /nfs/dbraw/zinc/39/52/06/179395206.db2.gz CCBFUWBFLGPVGY-UHFFFAOYSA-N 1 0 253.415 2.499 10 0 CEAERO C[C@H]1CCC[C@](O)(C[NH2+]CC(=O)Nc2ccccc2)C1 ZINC000087065150 179390167 /nfs/dbraw/zinc/39/01/67/179390167.db2.gz UQYWXIOIZWOXHR-XJKSGUPXSA-N 1 0 276.380 2.156 10 0 CEAERO CCCC1(C(=O)NCC2(O)CCC(C)CC2)CC[NH2+]CC1 ZINC000087068309 179390770 /nfs/dbraw/zinc/39/07/70/179390770.db2.gz QFLIVZKKPFRMRX-UHFFFAOYSA-N 1 0 296.455 2.214 10 0 CEAERO CC1(C)CCC(O)(CNC(=O)CC2([NH3+])CCCCC2)CC1 ZINC000087069076 179391218 /nfs/dbraw/zinc/39/12/18/179391218.db2.gz YAYBJQPNYDLYIQ-UHFFFAOYSA-N 1 0 296.455 2.486 10 0 CEAERO CCC1CCC(O)(CNC(=O)[C@]2([NH3+])CCC[C@H](C)C2)CC1 ZINC000087070321 179391302 /nfs/dbraw/zinc/39/13/02/179391302.db2.gz SPOWTDYFHIUSCQ-DXCHVLGVSA-N 1 0 296.455 2.342 10 0 CEAERO C[C@@H]1CCC[C@](O)(CNC(=O)CC2([NH3+])CCCCC2)C1 ZINC000087069971 179391469 /nfs/dbraw/zinc/39/14/69/179391469.db2.gz LXPUNKSZSUTOJH-CZUORRHYSA-N 1 0 282.428 2.096 10 0 CEAERO CC(C)(C)NC(=[NH2+])NCC1(O)CCC(C)(C)CC1 ZINC000087076060 179392287 /nfs/dbraw/zinc/39/22/87/179392287.db2.gz OFFHBAYXHURSPA-UHFFFAOYSA-N 1 0 255.406 2.230 10 0 CEAERO CC[C@@]1(c2nc(CSC(C)C)no2)CC[NH2+]C1 ZINC000087108565 179395532 /nfs/dbraw/zinc/39/55/32/179395532.db2.gz IJLWVXIPGILFPF-GFCCVEGCSA-N 1 0 255.387 2.352 10 0 CEAERO CC[NH2+][C@H](CSC(C)C)Cc1ccnc(N)c1 ZINC000087113302 179395535 /nfs/dbraw/zinc/39/55/35/179395535.db2.gz VXMMJULHVPPKTD-LBPRGKRZSA-N 1 0 253.415 2.326 10 0 CEAERO CO[C@H]1C[NH2+][C@H](c2nc(CSC(C)(C)C)no2)C1 ZINC000087115805 179395553 /nfs/dbraw/zinc/39/55/53/179395553.db2.gz IFUKYCCIKKAPFN-BDAKNGLRSA-N 1 0 271.386 2.151 10 0 CEAERO CC[C@H](C)SC[C@@H](Cc1ccnc(N)c1)[NH2+]C ZINC000087135658 179396725 /nfs/dbraw/zinc/39/67/25/179396725.db2.gz OEVOOQAXXSAVAI-CMPLNLGQSA-N 1 0 253.415 2.326 10 0 CEAERO CC[C@@H](C)SC[C@@H](CCCS(=O)(=O)CC)[NH2+]C ZINC000087135534 179396911 /nfs/dbraw/zinc/39/69/11/179396911.db2.gz OCEJSMCOMLOGJI-VXGBXAGGSA-N 1 0 281.487 2.321 10 0 CEAERO CC[C@H](C)SC[C@@H](Cc1cnccc1N)[NH2+]C ZINC000087135882 179396951 /nfs/dbraw/zinc/39/69/51/179396951.db2.gz SNGNJQYZMHSWKZ-CMPLNLGQSA-N 1 0 253.415 2.326 10 0 CEAERO [NH3+][C@H]1CC(=O)N(c2ccc(Cl)c(Br)c2)C1 ZINC000087153287 179398151 /nfs/dbraw/zinc/39/81/51/179398151.db2.gz BUJVYWTZGLNREK-LURJTMIESA-N 1 0 289.560 2.167 10 0 CEAERO CC(C)([NH3+])c1cn(Cc2ccc(Cl)c(F)c2)nn1 ZINC000232521826 539620525 /nfs/dbraw/zinc/62/05/25/539620525.db2.gz QSXIGHDEYAFGSZ-UHFFFAOYSA-N 1 0 268.723 2.313 10 0 CEAERO C[N@@H+]1CC[C@](O)(Cc2cccc(C(F)(F)F)c2)C1 ZINC000087166267 179398715 /nfs/dbraw/zinc/39/87/15/179398715.db2.gz ZIQYCNCZWLFGCW-LBPRGKRZSA-N 1 0 259.271 2.315 10 0 CEAERO COc1c(C)c[nH+]c(C[C@@]2(O)CCCOCC2)c1C ZINC000087186713 179399656 /nfs/dbraw/zinc/39/96/56/179399656.db2.gz RNIYDFFRJDLNNB-OAHLLOKOSA-N 1 0 265.353 2.181 10 0 CEAERO C[NH2+]Cc1cccc(OC)c1OCC[C@H]1CCCO1 ZINC000087246030 179404803 /nfs/dbraw/zinc/40/48/03/179404803.db2.gz WTUMKUVTXJOUCO-CYBMUJFWSA-N 1 0 265.353 2.363 10 0 CEAERO Cc1ccc(C(=O)NCC[NH2+]CCC[C@@H]2CCCO2)cc1 ZINC000087247399 179405288 /nfs/dbraw/zinc/40/52/88/179405288.db2.gz RVXYXHNGWLSSTB-MRXNPFEDSA-N 1 0 290.407 2.274 10 0 CEAERO CCCOCCc1cnc(CC[NH2+]CC(C)C)o1 ZINC000087346012 179415165 /nfs/dbraw/zinc/41/51/65/179415165.db2.gz FKXXPTHBAJLJSV-UHFFFAOYSA-N 1 0 254.374 2.432 10 0 CEAERO COc1ccc(Cl)cc1[C@H](C[NH3+])[C@H](O)[C@@H]1CCCOC1 ZINC000087376142 179416973 /nfs/dbraw/zinc/41/69/73/179416973.db2.gz UVPWCXIARYWUDK-RIEGTJTDSA-N 1 0 299.798 2.178 10 0 CEAERO COc1cc([C@H](C[NH3+])[C@@H](O)c2ccco2)ccc1C ZINC000087377244 179417083 /nfs/dbraw/zinc/41/70/83/179417083.db2.gz DNFZUYJDNFECQT-SWLSCSKDSA-N 1 0 261.321 2.373 10 0 CEAERO CCOCC[C@@H](O)[C@H](C[NH3+])c1ccc(F)cc1Cl ZINC000087380533 179417656 /nfs/dbraw/zinc/41/76/56/179417656.db2.gz RMBMUDVXNRICJP-DGCLKSJQSA-N 1 0 275.751 2.309 10 0 CEAERO COc1cc([C@@H](C)[NH3+])ccc1OCC1(O)CCCC1 ZINC000087459325 179429016 /nfs/dbraw/zinc/42/90/16/179429016.db2.gz KZXNCFBZLBPCDU-LLVKDONJSA-N 1 0 265.353 2.399 10 0 CEAERO COc1cc(C[NH3+])cc(Cl)c1OCC1(O)CCCC1 ZINC000087459328 179429415 /nfs/dbraw/zinc/42/94/15/179429415.db2.gz JCYLAOGWTDQIRV-UHFFFAOYSA-N 1 0 285.771 2.491 10 0 CEAERO [NH3+]C[C@H](NC(=O)c1cccn1Cc1ccccc1)C1CC1 ZINC000087383817 539640258 /nfs/dbraw/zinc/64/02/58/539640258.db2.gz CSPYUTDRDKGQRP-HNNXBMFYSA-N 1 0 283.375 2.004 10 0 CEAERO C[C@@H]1CCN(c2nc(C(C)(C)C)ns2)C[C@@H]1[NH3+] ZINC000087642739 179462237 /nfs/dbraw/zinc/46/22/37/179462237.db2.gz FDPTZDIRDKLRAG-BDAKNGLRSA-N 1 0 254.403 2.009 10 0 CEAERO CC(C)c1nsc(N[C@H](C)[C@H]2CCC[NH2+]C2)n1 ZINC000087642484 179462470 /nfs/dbraw/zinc/46/24/70/179462470.db2.gz MYJJFCFGFVLEFG-ZJUUUORDSA-N 1 0 254.403 2.462 10 0 CEAERO C[C@@H]([NH3+])CCC[C@@H](C)C(=O)Nc1ccc2oc(=O)[nH]c2c1 ZINC000087694116 179471114 /nfs/dbraw/zinc/47/11/14/179471114.db2.gz SNQFQLLPURDYLB-NXEZZACHSA-N 1 0 291.351 2.213 10 0 CEAERO CSC[C@@H](C)CNC(=O)CCC(C)(C)CC[NH3+] ZINC000087703197 179473580 /nfs/dbraw/zinc/47/35/80/179473580.db2.gz UBDUSVBCLDGNKK-NSHDSACASA-N 1 0 260.447 2.257 10 0 CEAERO CC[NH2+][C@](C)(CC(=O)OCC)c1ccccc1OC ZINC000087549216 179444692 /nfs/dbraw/zinc/44/46/92/179444692.db2.gz CVQUIXLSUGJITM-OAHLLOKOSA-N 1 0 265.353 2.473 10 0 CEAERO CC[NH2+][C@@](C)(CC(=O)OC)Cc1ccc(OC)cc1 ZINC000087553715 179446147 /nfs/dbraw/zinc/44/61/47/179446147.db2.gz QYGGJPLYBLZSOM-OAHLLOKOSA-N 1 0 265.353 2.169 10 0 CEAERO CCC[NH2+][C@@](C)(CCO)Cc1ccc(OC)c(OC)c1 ZINC000087563935 179446445 /nfs/dbraw/zinc/44/64/45/179446445.db2.gz VIGLFMCVKYCFDC-INIZCTEOSA-N 1 0 281.396 2.387 10 0 CEAERO COC(=O)[C@@H](C)C[NH2+]Cc1sccc1Br ZINC000087575583 179448329 /nfs/dbraw/zinc/44/83/29/179448329.db2.gz VDEMJMPEKGSDOK-ZETCQYMHSA-N 1 0 292.198 2.409 10 0 CEAERO C[NH2+]C1(CC(=O)N2CCSC[C@@H]2C)CCCCC1 ZINC000087577953 179448961 /nfs/dbraw/zinc/44/89/61/179448961.db2.gz SORZQZRBOFNFNQ-LBPRGKRZSA-N 1 0 270.442 2.263 10 0 CEAERO CC[NH2+][C@@H](C)[C@@H](C)c1nc(C2CCOCC2)no1 ZINC000087812886 179490455 /nfs/dbraw/zinc/49/04/55/179490455.db2.gz HBYNWPXOUXNRFL-ZJUUUORDSA-N 1 0 253.346 2.065 10 0 CEAERO C[C@H]1CCC[C@H](C)C12NC(=O)N(CCC(C)(C)C[NH3+])C2=O ZINC000087590792 179450796 /nfs/dbraw/zinc/45/07/96/179450796.db2.gz RXYCFWZIJWAMKI-RYUDHWBXSA-N 1 0 295.427 2.108 10 0 CEAERO CC(=O)Nc1cccc([C@H]2CCCN(CC[NH3+])CC2)c1 ZINC000616627027 348539342 /nfs/dbraw/zinc/53/93/42/348539342.db2.gz BAJDMBCARLMREA-AWEZNQCLSA-N 1 0 275.396 2.173 10 0 CEAERO CC(C)c1nc(N(C)[C@H](C)C(C)C)cc(NN)[nH+]1 ZINC000087909572 179517648 /nfs/dbraw/zinc/51/76/48/179517648.db2.gz OHEZTHIQZYTVMR-SNVBAGLBSA-N 1 0 251.378 2.366 10 0 CEAERO OCCc1cccc([C@H]2C[N@H+](Cc3ccccc3)CCN2)c1 ZINC000616632796 348541039 /nfs/dbraw/zinc/54/10/39/348541039.db2.gz ATFYPTPBHBLVGC-LJQANCHMSA-N 1 0 296.414 2.368 10 0 CEAERO CC(C)(C)N1CC[NH2+]C[C@H]1c1ccc2ccnnc2c1 ZINC000616636988 348543239 /nfs/dbraw/zinc/54/32/39/348543239.db2.gz ZYMQGIWKHAOSQZ-HNNXBMFYSA-N 1 0 270.380 2.375 10 0 CEAERO Nc1ccc([C@@H]2COCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000616648680 348546704 /nfs/dbraw/zinc/54/67/04/348546704.db2.gz UVWOZWZFHLPFML-INIZCTEOSA-N 1 0 283.375 2.458 10 0 CEAERO CCc1nc(O[C@H](C)CC(C)C)c(C)c(NN)[nH+]1 ZINC000087919160 179523301 /nfs/dbraw/zinc/52/33/01/179523301.db2.gz FXQWTROHMJLJLK-SECBINFHSA-N 1 0 252.362 2.446 10 0 CEAERO C[C@H]1CCC[C@@](C[NH3+])(Cc2nnnn2-c2ccccc2)C1 ZINC000087932173 179527211 /nfs/dbraw/zinc/52/72/11/179527211.db2.gz HVBLSBATKBFJHE-BBRMVZONSA-N 1 0 285.395 2.360 10 0 CEAERO c1ccc(C[N@@H+]2CCCO[C@H](c3ncccn3)C2)cc1 ZINC000616652059 348548607 /nfs/dbraw/zinc/54/86/07/348548607.db2.gz IFXSZFSMOAGXIO-HNNXBMFYSA-N 1 0 269.348 2.440 10 0 CEAERO CC[NH2+][C@H](Cc1nc([C@@H]2CCCOC2)no1)C(C)C ZINC000087815814 179491757 /nfs/dbraw/zinc/49/17/57/179491757.db2.gz CKLLCLOEPOZUDV-VXGBXAGGSA-N 1 0 267.373 2.140 10 0 CEAERO CC[N@@H+]1CCCO[C@@H](c2cccc3nnccc32)C1 ZINC000616652683 348549374 /nfs/dbraw/zinc/54/93/74/348549374.db2.gz INTMQBDEQSBIDO-OAHLLOKOSA-N 1 0 257.337 2.413 10 0 CEAERO OCC[N@@H+]1CCCC[C@@H](c2cc3ccccc3nn2)C1 ZINC000616656456 348549811 /nfs/dbraw/zinc/54/98/11/348549811.db2.gz XZRWAONMZBTTSI-CQSZACIVSA-N 1 0 271.364 2.192 10 0 CEAERO [NH3+][C@@H](Cc1ccc(Cl)c(Cl)c1)[C@H]1COCCO1 ZINC000087857369 179502396 /nfs/dbraw/zinc/50/23/96/179502396.db2.gz CAULIKYVFRZAQQ-NWDGAFQWSA-N 1 0 276.163 2.279 10 0 CEAERO CCC[NH2+][C@@H](c1cccc(F)c1F)[C@H]1COCCO1 ZINC000087858800 179503217 /nfs/dbraw/zinc/50/32/17/179503217.db2.gz VAQIKQBHSZOVQJ-OCCSQVGLSA-N 1 0 271.307 2.421 10 0 CEAERO [NH3+][C@H](CCC(F)(F)F)[C@@H]1COc2ccccc2O1 ZINC000087858999 179503681 /nfs/dbraw/zinc/50/36/81/179503681.db2.gz FGTCOCDNPGJLOO-KCJUWKMLSA-N 1 0 261.243 2.496 10 0 CEAERO CC(C)N(Cc1cccs1)c1cc(NN)[nH+]cn1 ZINC000087864829 179505320 /nfs/dbraw/zinc/50/53/20/179505320.db2.gz YASOWQWPBPOYIB-UHFFFAOYSA-N 1 0 263.370 2.239 10 0 CEAERO CC(C)(C)[N@@H+]1CCN[C@H](c2cnnc3ccccc32)C1 ZINC000616601528 348530929 /nfs/dbraw/zinc/53/09/29/348530929.db2.gz HSMKVYRSNQOGFI-HNNXBMFYSA-N 1 0 270.380 2.375 10 0 CEAERO Cc1cc(Cl)ccc1Oc1cc(NN)[nH+]c(N)n1 ZINC000087883985 179510205 /nfs/dbraw/zinc/51/02/05/179510205.db2.gz YKKJSTZNSCPGTP-UHFFFAOYSA-N 1 0 265.704 2.099 10 0 CEAERO CCOCOc1cc(OC)ccc1C[C@H]([NH3+])CC ZINC000087888930 179513260 /nfs/dbraw/zinc/51/32/60/179513260.db2.gz LOQCDZSWIFEWPS-GFCCVEGCSA-N 1 0 253.342 2.348 10 0 CEAERO OCC[N@@H+]1CCC[C@@H](c2ccc3ccncc3c2)C1 ZINC000616621105 348537274 /nfs/dbraw/zinc/53/72/74/348537274.db2.gz OXDIMRYLGPEKFN-OAHLLOKOSA-N 1 0 256.349 2.407 10 0 CEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H](C(F)F)C1 ZINC000616620800 348537390 /nfs/dbraw/zinc/53/73/90/348537390.db2.gz LPLASVFAJLMVPS-JTQLQIEISA-N 1 0 278.343 2.488 10 0 CEAERO [NH3+]CCN1CCC[C@H](c2ccnc3ccccc32)C1 ZINC000616621573 348537451 /nfs/dbraw/zinc/53/74/51/348537451.db2.gz SSJKIXHPPKVVAZ-ZDUSSCGKSA-N 1 0 255.365 2.373 10 0 CEAERO [NH3+]CCN1CCCCC[C@@H]1c1ccccc1CCO ZINC000616623437 348537996 /nfs/dbraw/zinc/53/79/96/348537996.db2.gz FOJRAVDKEZDALP-MRXNPFEDSA-N 1 0 262.397 2.097 10 0 CEAERO [NH3+]CCN1CCCCC[C@H]1c1ccccc1CCO ZINC000616626334 348538532 /nfs/dbraw/zinc/53/85/32/348538532.db2.gz FOJRAVDKEZDALP-INIZCTEOSA-N 1 0 262.397 2.097 10 0 CEAERO C[C@H]([NH3+])Cc1ccnc([C@H]2COc3ccccc3C2)n1 ZINC000088040424 179538037 /nfs/dbraw/zinc/53/80/37/179538037.db2.gz SDQHMCMWGLHZDL-WCQYABFASA-N 1 0 269.348 2.085 10 0 CEAERO C[C@@H]([NH3+])CC[S@](=O)Cc1ccc(F)cc1Cl ZINC000088075433 179544409 /nfs/dbraw/zinc/54/44/09/179544409.db2.gz BOYYSJQPNMLWSR-VPTHRUTESA-N 1 0 263.765 2.465 10 0 CEAERO C[NH2+]C1CCC(NC(=O)c2c(F)cccc2OC)CC1 ZINC000088079883 179545456 /nfs/dbraw/zinc/54/54/56/179545456.db2.gz AJRZRGXHUMRTOK-UHFFFAOYSA-N 1 0 280.343 2.095 10 0 CEAERO C[C@@H](C[NH3+])C[S@](=O)Cc1ccc(Cl)s1 ZINC000088089524 179547451 /nfs/dbraw/zinc/54/74/51/179547451.db2.gz VPKKXXHYNXZEGI-JKYUHCHBSA-N 1 0 251.804 2.245 10 0 CEAERO COc1ccc(CC[C@@](C)(O)[C@H]2CCC[NH2+]C2)cc1 ZINC000088103327 179548774 /nfs/dbraw/zinc/54/87/74/179548774.db2.gz UOLOXCLNBGHMEB-GOEBONIOSA-N 1 0 263.381 2.378 10 0 CEAERO CCO[C@H](C)c1noc(C[C@H](C[NH3+])CC(C)C)n1 ZINC000088275476 179573760 /nfs/dbraw/zinc/57/37/60/179573760.db2.gz HCQFLAHOVUOIOX-GHMZBOCLSA-N 1 0 255.362 2.331 10 0 CEAERO CC(C)C[C@@H](C[NH3+])CC(=O)N[C@H](C)c1ccccn1 ZINC000088276176 179573779 /nfs/dbraw/zinc/57/37/79/179573779.db2.gz HJTBTOVTALVRQL-CHWSQXEVSA-N 1 0 263.385 2.270 10 0 CEAERO O=C(Nc1c2nsnc2ccc1Cl)[C@H]1CCC[NH2+]1 ZINC000088126447 179552705 /nfs/dbraw/zinc/55/27/05/179552705.db2.gz KMPFTDFELQBIIR-MRVPVSSYSA-N 1 0 282.756 2.035 10 0 CEAERO C[NH2+][C@@H]1CCCc2c(O[C@H](C)C(=O)OC)cccc21 ZINC000088151628 179557802 /nfs/dbraw/zinc/55/78/02/179557802.db2.gz JBYWOTRZYBGGJA-ZWNOBZJWSA-N 1 0 263.337 2.224 10 0 CEAERO c1cc([C@H]2COCC[N@@H+](Cc3ccccc3)C2)no1 ZINC000616664078 348554702 /nfs/dbraw/zinc/55/47/02/348554702.db2.gz SQCZPZRLYAZVOG-CQSZACIVSA-N 1 0 258.321 2.291 10 0 CEAERO Nc1ncccc1[C@H]1CCc2ccccc2N1CC[NH3+] ZINC000616668962 348555097 /nfs/dbraw/zinc/55/50/97/348555097.db2.gz LVXYZKSTPPKFQZ-OAHLLOKOSA-N 1 0 268.364 2.116 10 0 CEAERO OCC[N@@H+]1CCc2ccccc2[C@@H]1c1ccncc1 ZINC000616678474 348558063 /nfs/dbraw/zinc/55/80/63/348558063.db2.gz ISESGTRHMLCOKV-INIZCTEOSA-N 1 0 254.333 2.021 10 0 CEAERO [NH3+]CCN1CCc2ccccc2[C@H]1c1ccccc1CCO ZINC000616680171 348558962 /nfs/dbraw/zinc/55/89/62/348558962.db2.gz MLQCCCWKRWTBNN-IBGZPJMESA-N 1 0 296.414 2.128 10 0 CEAERO [NH3+]C[C@H]1CNc2ccccc2N1Cc1ccccc1 ZINC000616685447 348560213 /nfs/dbraw/zinc/56/02/13/348560213.db2.gz UVYQUOARTPYKKE-AWEZNQCLSA-N 1 0 253.349 2.446 10 0 CEAERO C[C@@H](C[NH3+])CC(=O)NCc1ccccc1Br ZINC000087985443 179531229 /nfs/dbraw/zinc/53/12/29/179531229.db2.gz PSLJHTZGVFUOBW-SECBINFHSA-N 1 0 285.185 2.050 10 0 CEAERO c1ccc2c(c1)C[C@H](c1noc(C3CC[NH2+]CC3)n1)CO2 ZINC000087996438 179532812 /nfs/dbraw/zinc/53/28/12/179532812.db2.gz WAZCHVBYDBSYCB-ZDUSSCGKSA-N 1 0 285.347 2.255 10 0 CEAERO COc1ccccc1OCC[NH2+]C[C@H]1CCCC[C@H]1O ZINC000088401543 179593003 /nfs/dbraw/zinc/59/30/03/179593003.db2.gz WQMBMOACOJDWOQ-ZIAGYGMSSA-N 1 0 279.380 2.215 10 0 CEAERO CCOc1ccccc1OCC[C@@](C)(C[NH3+])[C@H](C)O ZINC000088415948 179596239 /nfs/dbraw/zinc/59/62/39/179596239.db2.gz JIFFGBYAOQPQNT-WFASDCNBSA-N 1 0 267.369 2.200 10 0 CEAERO CC(C)CCCOC[C@H](O)[C@H]([NH3+])Cc1ccccc1 ZINC000088398002 179592152 /nfs/dbraw/zinc/59/21/52/179592152.db2.gz YFXIEHFDGBZKMR-CVEARBPZSA-N 1 0 265.397 2.370 10 0 CEAERO COCc1ccccc1[C@H](O)Cc1c[nH+]ccc1N ZINC000088566525 179625891 /nfs/dbraw/zinc/62/58/91/179625891.db2.gz JTQUTKWFMCTINZ-OAHLLOKOSA-N 1 0 258.321 2.086 10 0 CEAERO CC(C)C[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1Cc1ncnn1C ZINC000088583859 179630004 /nfs/dbraw/zinc/63/00/04/179630004.db2.gz GQLPFMQGLKYBSC-ZIAGYGMSSA-N 1 0 293.459 2.050 10 0 CEAERO CC(C)C[NH2+]C[C@@H](Cc1ncnn1C)Cc1ccccc1 ZINC000088583021 179630299 /nfs/dbraw/zinc/63/02/99/179630299.db2.gz WHSNYGUSYFQIIQ-MRXNPFEDSA-N 1 0 286.423 2.462 10 0 CEAERO COc1ccc([C@@H]([NH3+])Cc2ncnn2C(C)C)cc1OC ZINC000088609925 179637273 /nfs/dbraw/zinc/63/72/73/179637273.db2.gz FNXZCGIHQPZGGX-LBPRGKRZSA-N 1 0 290.367 2.119 10 0 CEAERO CCCn1ncnc1C[C@@H]([NH3+])c1ccc(CC)cc1 ZINC000088610162 179637832 /nfs/dbraw/zinc/63/78/32/179637832.db2.gz CMBWIKBEXFQXDF-CQSZACIVSA-N 1 0 258.369 2.493 10 0 CEAERO CCCn1ncnc1C[C@H]([NH3+])c1nccc2ccccc21 ZINC000088612373 179639035 /nfs/dbraw/zinc/63/90/35/179639035.db2.gz AJPUCKZKYPQROS-AWEZNQCLSA-N 1 0 281.363 2.479 10 0 CEAERO CC[NH2+][C@H](Cc1csc(C)n1)Cc1ncnn1C(C)C ZINC000088611926 179639088 /nfs/dbraw/zinc/63/90/88/179639088.db2.gz FXBJMZDZWCABHD-GFCCVEGCSA-N 1 0 293.440 2.387 10 0 CEAERO C[NH2+][C@H](Cc1ncnn1C(C)C)[C@@H]1CC[C@@H](C)C1 ZINC000088613479 179639844 /nfs/dbraw/zinc/63/98/44/179639844.db2.gz JUVHQEFAMUXWNP-JHJVBQTASA-N 1 0 250.390 2.426 10 0 CEAERO CCCn1ncnc1COc1cccc(C[C@@H](C)[NH3+])c1 ZINC000088617465 179640402 /nfs/dbraw/zinc/64/04/02/179640402.db2.gz IZYMYCCSKOSXLS-GFCCVEGCSA-N 1 0 274.368 2.157 10 0 CEAERO CCC[C@H]1CN(Cc2ncnn2CC)[C@H](C(C)(C)C)C[NH2+]1 ZINC000088625154 179641838 /nfs/dbraw/zinc/64/18/38/179641838.db2.gz XVRITOAQYJHOHN-KBPBESRZSA-N 1 0 293.459 2.287 10 0 CEAERO CC[C@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1ncnn1C(C)C ZINC000088625665 179643011 /nfs/dbraw/zinc/64/30/11/179643011.db2.gz DESNIVWKFLGAAY-GOEBONIOSA-N 1 0 291.443 2.212 10 0 CEAERO C[NH2+]CCN(C)C(=O)c1sc2cc(Cl)ccc2c1N ZINC000088644680 179646887 /nfs/dbraw/zinc/64/68/87/179646887.db2.gz UFFXCMFQUUIERU-UHFFFAOYSA-N 1 0 297.811 2.428 10 0 CEAERO CCN(C1(C[NH3+])CCCC1)S(=O)(=O)c1ccccc1C ZINC000088714874 179656950 /nfs/dbraw/zinc/65/69/50/179656950.db2.gz ZQGJLXWJBKHMIV-UHFFFAOYSA-N 1 0 296.436 2.277 10 0 CEAERO [NH3+]CCCc1nnc(Cc2ccc(F)cc2)s1 ZINC000088809361 179675781 /nfs/dbraw/zinc/67/57/81/179675781.db2.gz MEZYTDQPWOGPPS-UHFFFAOYSA-N 1 0 251.330 2.159 10 0 CEAERO CCOCc1nc(C)c(C[C@@H](C)C[NH2+]CCOC)c(C)n1 ZINC000088739025 179661538 /nfs/dbraw/zinc/66/15/38/179661538.db2.gz PQQMALQZSBHHKC-GFCCVEGCSA-N 1 0 295.427 2.045 10 0 CEAERO CCc1nc(CC)n([C@@H](c2ccc(C)o2)[C@H](C)[NH3+])n1 ZINC000088739985 179662335 /nfs/dbraw/zinc/66/23/35/179662335.db2.gz XUJMVYYDYRIVGA-IINYFYTJSA-N 1 0 262.357 2.241 10 0 CEAERO CC[C@H](C)NS(=O)(=O)c1ccc(CC[NH2+]C(C)C)cc1 ZINC000088977910 179689636 /nfs/dbraw/zinc/68/96/36/179689636.db2.gz IGZYXBABTOFAKF-ZDUSSCGKSA-N 1 0 298.452 2.304 10 0 CEAERO CC[NH2+]CCCS(=O)(=O)N(CC)CC(CC)CC ZINC000088994147 179690505 /nfs/dbraw/zinc/69/05/05/179690505.db2.gz MKOODWJQNFHFNO-UHFFFAOYSA-N 1 0 278.462 2.074 10 0 CEAERO CC1(NS(=O)(=O)CCCC[NH2+]C2CC2)CCCCC1 ZINC000089013230 179690792 /nfs/dbraw/zinc/69/07/92/179690792.db2.gz GJRJBDZYRIGINJ-UHFFFAOYSA-N 1 0 288.457 2.161 10 0 CEAERO CC(C)C[C@@H](C)N(C)S(=O)(=O)CCCC[NH2+]C(C)C ZINC000089004958 179691095 /nfs/dbraw/zinc/69/10/95/179691095.db2.gz IHFLPQHSAULLQV-CQSZACIVSA-N 1 0 292.489 2.461 10 0 CEAERO CCC[NH2+]C[C@H](C)S(=O)(=O)N(C)[C@@H](C)C(C)(C)C ZINC000089007598 179691160 /nfs/dbraw/zinc/69/11/60/179691160.db2.gz VLDBAKMGUSHITE-RYUDHWBXSA-N 1 0 278.462 2.071 10 0 CEAERO CCC[C@@H]1C[C@H]1NC(=O)c1cccc2c1CC[NH2+]C2 ZINC000233305248 539668646 /nfs/dbraw/zinc/66/86/46/539668646.db2.gz PYHVGDZVNHWXHG-IAQYHMDHSA-N 1 0 258.365 2.251 10 0 CEAERO C[NH2+][C@H](C)c1nnc(Cc2cccc(OC)c2)s1 ZINC000088821049 179677685 /nfs/dbraw/zinc/67/76/85/179677685.db2.gz LPICRPGEWQUIOV-SECBINFHSA-N 1 0 263.366 2.418 10 0 CEAERO C[C@@H]1CCC[C@H](C[NH3+])N1C(=O)CCC(F)(F)F ZINC000088834100 179679699 /nfs/dbraw/zinc/67/96/99/179679699.db2.gz GXXJGSVNXYAILS-RKDXNWHRSA-N 1 0 252.280 2.057 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)Cc1c(F)cccc1Cl ZINC000089090851 179697711 /nfs/dbraw/zinc/69/77/11/179697711.db2.gz QZVXUPQWUDIGHR-NOZJJQNGSA-N 1 0 284.762 2.265 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)Cc1c(F)cccc1Cl ZINC000089090853 179697901 /nfs/dbraw/zinc/69/79/01/179697901.db2.gz QZVXUPQWUDIGHR-TVQRCGJNSA-N 1 0 284.762 2.265 10 0 CEAERO Cc1cc(C(=O)N(C)[C@@H]2CCC[C@H]2C[NH3+])ccc1F ZINC000089110576 179705108 /nfs/dbraw/zinc/70/51/08/179705108.db2.gz WFICRNRUHWMJGP-GXTWGEPZSA-N 1 0 264.344 2.334 10 0 CEAERO Cc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2C[NH3+])c(C)n1 ZINC000089131753 179713708 /nfs/dbraw/zinc/71/37/08/179713708.db2.gz RLJFIEKQTHWWRJ-HIFRSBDPSA-N 1 0 275.396 2.288 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc2cc[nH]c2c1 ZINC000089091456 539688726 /nfs/dbraw/zinc/68/87/26/539688726.db2.gz TVXUTIXPGCIFJJ-QWHCGFSZSA-N 1 0 257.337 2.025 10 0 CEAERO CCN(C(=O)c1cccnc1OC)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089134278 179714424 /nfs/dbraw/zinc/71/44/24/179714424.db2.gz CQFZWSKFIQAOFA-TZMCWYRMSA-N 1 0 291.395 2.070 10 0 CEAERO Cc1c(N[C@@H]2CCCC[C@@H]2C[NH3+])cccc1C(N)=O ZINC000089142397 179720878 /nfs/dbraw/zinc/72/08/78/179720878.db2.gz XGAWMZPATYJGSC-BXUZGUMPSA-N 1 0 261.369 2.023 10 0 CEAERO CCN(C(=O)c1c(F)cccc1OC)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089113729 179707976 /nfs/dbraw/zinc/70/79/76/179707976.db2.gz WBOOPCTWVAFTHW-YPMHNXCESA-N 1 0 294.370 2.424 10 0 CEAERO CCN(c1nc(C2CC2)ns1)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089116950 179710812 /nfs/dbraw/zinc/71/08/12/179710812.db2.gz PXFNYJLJUZHSSK-MNOVXSKESA-N 1 0 266.414 2.369 10 0 CEAERO CC(=O)Nc1ccc(N[C@H]2CCC[C@@H]2C[NH3+])cc1C ZINC000089148215 179724126 /nfs/dbraw/zinc/72/41/26/179724126.db2.gz KEDKZBKYSVGYDL-DOMZBBRYSA-N 1 0 261.369 2.493 10 0 CEAERO CCc1cc(C[C@@H]2Cc3ccccc3[C@@H]2[NH3+])n(C)n1 ZINC000089187180 179747716 /nfs/dbraw/zinc/74/77/16/179747716.db2.gz WVHMKKCKIOIKHU-BLLLJJGKSA-N 1 0 255.365 2.397 10 0 CEAERO COc1cccc(Cl)c1CN[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400712782 233181334 /nfs/dbraw/zinc/18/13/34/233181334.db2.gz DVSANVXTLQVXSD-QWRGUYRKSA-N 1 0 268.788 2.436 10 0 CEAERO C[NH2+][C@H](Cc1c(Cl)c(C)nn1C)c1ccncc1 ZINC000089250674 179760516 /nfs/dbraw/zinc/76/05/16/179760516.db2.gz PULLBIBPOSSTEQ-LLVKDONJSA-N 1 0 264.760 2.280 10 0 CEAERO C[C@H]1C[C@H](O)C[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000401921388 233186476 /nfs/dbraw/zinc/18/64/76/233186476.db2.gz XCZFQHGYNMSYAD-JQWIXIFHSA-N 1 0 271.307 2.491 10 0 CEAERO C[NH2+][C@@H](Cc1cc(C)nn1C)[C@H]1COc2ccccc2C1 ZINC000089200854 179752092 /nfs/dbraw/zinc/75/20/92/179752092.db2.gz HDRKVSFLCNJRBP-ZBFHGGJFSA-N 1 0 285.391 2.110 10 0 CEAERO CCc1cc(C[C@H]([NH2+]C)[C@H]2CCCOC2)n(CC)n1 ZINC000089199547 179752233 /nfs/dbraw/zinc/75/22/33/179752233.db2.gz GAILDMQVGVTDMD-WFASDCNBSA-N 1 0 265.401 2.023 10 0 CEAERO COc1ccc(C)cc1NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089449246 539716295 /nfs/dbraw/zinc/71/62/95/539716295.db2.gz DZNWFUOANDTDGK-NEPJUHHUSA-N 1 0 262.353 2.317 10 0 CEAERO CCOc1cccc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089454908 539717321 /nfs/dbraw/zinc/71/73/21/539717321.db2.gz ALFSCCBWGPVRFY-RISCZKNCSA-N 1 0 262.353 2.399 10 0 CEAERO CCC[NH2+]Cc1cnc(C)n1Cc1cc(CC)nn1C ZINC000089207590 179754061 /nfs/dbraw/zinc/75/40/61/179754061.db2.gz SOHSVLHLNYBGGE-UHFFFAOYSA-N 1 0 275.400 2.035 10 0 CEAERO CCc1cc(CN2C[C@H](C)[NH2+]C[C@@]2(C)CC)n(CC)n1 ZINC000089208773 179754597 /nfs/dbraw/zinc/75/45/97/179754597.db2.gz SSZHAUWERJKMAM-XJKSGUPXSA-N 1 0 278.444 2.428 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@H](C(C)C)CN1Cc1cc(C)nn1C ZINC000089208595 179754676 /nfs/dbraw/zinc/75/46/76/179754676.db2.gz DSVSBBDFWCUHLS-GDBMZVCRSA-N 1 0 278.444 2.327 10 0 CEAERO CCc1cc(CN2CC(C)(C)[NH2+]C[C@@]2(C)CC)n(C)n1 ZINC000089209550 179755244 /nfs/dbraw/zinc/75/52/44/179755244.db2.gz ZUTLYNIMUKMRFX-MRXNPFEDSA-N 1 0 278.444 2.335 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C)CN1Cc1c(Cl)c(C)nn1CC ZINC000089304702 179767538 /nfs/dbraw/zinc/76/75/38/179767538.db2.gz XPUZGOGLGNWPKH-PWSUYJOCSA-N 1 0 284.835 2.437 10 0 CEAERO CCC[NH2+]CCN(C)Cc1c(Cl)c(CC)nn1C ZINC000089320728 179769212 /nfs/dbraw/zinc/76/92/12/179769212.db2.gz HXIJODMUUSXQNB-UHFFFAOYSA-N 1 0 272.824 2.067 10 0 CEAERO CCc1nn(C)c(C[C@@H]([NH2+]C)[C@H]2CCCOC2)c1Cl ZINC000089329175 179770130 /nfs/dbraw/zinc/77/01/30/179770130.db2.gz XTHZKUFHCZVSJZ-CMPLNLGQSA-N 1 0 285.819 2.193 10 0 CEAERO CCn1nc(C)c(Cl)c1C[C@@H]([NH3+])C[C@H]1CCCO1 ZINC000089294543 179766068 /nfs/dbraw/zinc/76/60/68/179766068.db2.gz YEEPDAUJEOTTKY-WDEREUQCSA-N 1 0 271.792 2.304 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1ccc(F)c(F)c1 ZINC000089449402 179791866 /nfs/dbraw/zinc/79/18/66/179791866.db2.gz QFIAWUAIGOUVSQ-SCZZXKLOSA-N 1 0 254.280 2.278 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000089460967 179795795 /nfs/dbraw/zinc/79/57/95/179795795.db2.gz JVNQQAIXQXFOII-TUVASFSCSA-N 1 0 258.365 2.034 10 0 CEAERO CCCC1CCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089461426 179796098 /nfs/dbraw/zinc/79/60/98/179796098.db2.gz RFIRQBXOFRUBNV-KBPBESRZSA-N 1 0 252.402 2.400 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1COCC(=O)NCc1ccccc1 ZINC000089535491 179812211 /nfs/dbraw/zinc/81/22/11/179812211.db2.gz JKKKLPJAWZEWIG-HOTGVXAUSA-N 1 0 290.407 2.085 10 0 CEAERO OC[C@H]1CCC[C@@H]1C[NH2+]Cc1cccc(F)c1F ZINC000089486684 179801819 /nfs/dbraw/zinc/80/18/19/179801819.db2.gz OKXGJAYYJITEDZ-ZYHUDNBSSA-N 1 0 255.308 2.463 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@H]1CNC(=O)c1ccc(F)cc1 ZINC000089530979 179811044 /nfs/dbraw/zinc/81/10/44/179811044.db2.gz PMJFWWUMHOKAHT-OLZOCXBDSA-N 1 0 264.344 2.321 10 0 CEAERO CC(C)OC(=O)c1ccc(NC(=O)C[C@H]2CC[NH2+]C2)cc1 ZINC000089741974 179857582 /nfs/dbraw/zinc/85/75/82/179857582.db2.gz ZDTVMKFFACTQDD-GFCCVEGCSA-N 1 0 290.363 2.190 10 0 CEAERO C[NH2+][C@@H]1c2ccc(OC)cc2CC[C@H]1SCCCO ZINC000090119922 179916743 /nfs/dbraw/zinc/91/67/43/179916743.db2.gz QKUUKYCLKHPUNE-HUUCEWRRSA-N 1 0 281.421 2.386 10 0 CEAERO CC(C)C[C@@](C)(O)C[NH2+]C[C@H](O)c1ccc(F)c(F)c1 ZINC000090271923 179944512 /nfs/dbraw/zinc/94/45/12/179944512.db2.gz FCWPQVMMEXCIAF-LSDHHAIUSA-N 1 0 287.350 2.385 10 0 CEAERO COC(=O)[C@H](C)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000090273069 179945398 /nfs/dbraw/zinc/94/53/98/179945398.db2.gz GWZCJNGVUARDBB-AWEZNQCLSA-N 1 0 282.428 2.326 10 0 CEAERO CCCN(Cc1cccc2cccnc21)C1C[NH2+]C1 ZINC000090292559 179951241 /nfs/dbraw/zinc/95/12/41/179951241.db2.gz HGWAZADIWZRXSY-UHFFFAOYSA-N 1 0 255.365 2.419 10 0 CEAERO Cc1ccc(C)c(CC(=O)N2C[C@@H]3C[NH2+]C[C@@H]3C2(C)C)c1 ZINC000090336235 179965022 /nfs/dbraw/zinc/96/50/22/179965022.db2.gz WSORVWNZPPHXEG-HOTGVXAUSA-N 1 0 286.419 2.302 10 0 CEAERO COc1ccc(C)cc1C(=O)N1C[C@H]2C[NH2+]C[C@@H]2C1(C)C ZINC000090336567 179965239 /nfs/dbraw/zinc/96/52/39/179965239.db2.gz GRFXGJVGUAWKPV-OCCSQVGLSA-N 1 0 288.391 2.074 10 0 CEAERO CC(C)CCC[C@@H](C)NC(=O)CSC[C@@H](C)[NH3+] ZINC000090343848 179969411 /nfs/dbraw/zinc/96/94/11/179969411.db2.gz VSGVXPHFVVQTQM-VXGBXAGGSA-N 1 0 260.447 2.398 10 0 CEAERO C[C@H]([NH3+])CCSCC(=O)Nc1ccccc1F ZINC000090346028 179970117 /nfs/dbraw/zinc/97/01/17/179970117.db2.gz GZWPGJWAYXVAOQ-VIFPVBQESA-N 1 0 256.346 2.235 10 0 CEAERO [NH3+][C@H]1COC[C@@H]1c1nc2cccc(Cl)c2n1C1CC1 ZINC000090363836 179977766 /nfs/dbraw/zinc/97/77/66/179977766.db2.gz LJHVCTLFOLIRNO-ONGXEEELSA-N 1 0 277.755 2.466 10 0 CEAERO CC(C)n1c2ccc(F)cc2nc1[C@H]1COC[C@@H]1[NH3+] ZINC000090363700 179977949 /nfs/dbraw/zinc/97/79/49/179977949.db2.gz DIAXLXWUPPCDDP-QWRGUYRKSA-N 1 0 263.316 2.197 10 0 CEAERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1Nc1ncnc2sc(C)c(C)c21 ZINC000090313573 179956711 /nfs/dbraw/zinc/95/67/11/179956711.db2.gz IBBYIGADDSILAJ-UMNHJUIQSA-N 1 0 292.408 2.225 10 0 CEAERO CCC[C@H](NC(=O)[C@@H]1COC[C@@H]1[NH2+]CC)c1cccs1 ZINC000090491682 179991681 /nfs/dbraw/zinc/99/16/81/179991681.db2.gz DXJYNPHKQQGDLJ-AGIUHOORSA-N 1 0 296.436 2.330 10 0 CEAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000623765319 350106361 /nfs/dbraw/zinc/10/63/61/350106361.db2.gz QUABJHVQIQRDOR-RYUDHWBXSA-N 1 0 293.260 2.084 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)OC1CCCCCC1 ZINC000090530016 179998398 /nfs/dbraw/zinc/99/83/98/179998398.db2.gz OZMZWIQWJPAPPI-ZIAGYGMSSA-N 1 0 269.385 2.267 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(OCC)cc1 ZINC000090538494 180000203 /nfs/dbraw/zinc/00/02/03/180000203.db2.gz HHGPQCXZMRYISL-LSDHHAIUSA-N 1 0 292.379 2.038 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)Nc1c(C)cccc1C ZINC000090539124 180000289 /nfs/dbraw/zinc/00/02/89/180000289.db2.gz UHXHTGFBLZWVCT-KGLIPLIRSA-N 1 0 276.380 2.257 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(CC)cc1 ZINC000090539048 180000398 /nfs/dbraw/zinc/00/03/98/180000398.db2.gz AKQHRWRNERATDZ-LSDHHAIUSA-N 1 0 276.380 2.202 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)N(CC)C1CCCCC1 ZINC000090538850 180000572 /nfs/dbraw/zinc/00/05/72/180000572.db2.gz YXOWHYURVYOUOP-GJZGRUSLSA-N 1 0 282.428 2.182 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N(C)c1ccc(C)cc1C ZINC000090544415 180000684 /nfs/dbraw/zinc/00/06/84/180000684.db2.gz WQDJCQJNRLCZMJ-LSDHHAIUSA-N 1 0 290.407 2.281 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000090543233 180001156 /nfs/dbraw/zinc/00/11/56/180001156.db2.gz GNIJDCDJGCXYFR-NILFDRSVSA-N 1 0 294.370 2.018 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)NC1CCC(C)(C)CC1 ZINC000090545914 180001201 /nfs/dbraw/zinc/00/12/01/180001201.db2.gz WFJGHVXAGZBJPJ-KBPBESRZSA-N 1 0 282.428 2.086 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1CN(C)Cc1cccs1 ZINC000090566144 180005567 /nfs/dbraw/zinc/00/55/67/180005567.db2.gz KFRXVKXNLAMYJR-TZMCWYRMSA-N 1 0 268.426 2.195 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1CN(CCC)CC(F)(F)F ZINC000090566610 180006199 /nfs/dbraw/zinc/00/61/99/180006199.db2.gz CQJXIDBOULWZIF-NWDGAFQWSA-N 1 0 282.350 2.275 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1CN1CCC(C(F)(F)F)CC1 ZINC000090567248 180006267 /nfs/dbraw/zinc/00/62/67/180006267.db2.gz URDUYAOJVGLPIZ-AAEUAGOBSA-N 1 0 294.361 2.275 10 0 CEAERO C[C@@]1(C(=O)Nc2cccc3ccccc32)COC[C@@H]1[NH3+] ZINC000090580171 180008595 /nfs/dbraw/zinc/00/85/95/180008595.db2.gz ZVTDARXZFUDHBB-GOEBONIOSA-N 1 0 270.332 2.142 10 0 CEAERO Cc1cc(OC(C)C)ccc1NC(=O)[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090590072 180010072 /nfs/dbraw/zinc/01/00/72/180010072.db2.gz WDVAKIHCECJIGI-HOCLYGCPSA-N 1 0 292.379 2.085 10 0 CEAERO CCN(Cc1cccc(Cl)c1)C(=O)[C@]1(C)COC[C@@H]1[NH3+] ZINC000090592278 180010368 /nfs/dbraw/zinc/01/03/68/180010368.db2.gz QOHARZQLKBDCQS-DZGCQCFKSA-N 1 0 296.798 2.052 10 0 CEAERO CCCN(Cc1ccc(C)cc1)C(=O)[C@]1(C)COC[C@H]1[NH3+] ZINC000090590693 180010436 /nfs/dbraw/zinc/01/04/36/180010436.db2.gz ABPPINMUDJTBID-NVXWUHKLSA-N 1 0 290.407 2.097 10 0 CEAERO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090591797 180010497 /nfs/dbraw/zinc/01/04/97/180010497.db2.gz AVAQQEIQKLCUMX-DGFSRKRXSA-N 1 0 296.798 2.223 10 0 CEAERO CCCCC[N@H+](C(C)C)[C@H](CN)CC(OC)OC ZINC000090625208 180015424 /nfs/dbraw/zinc/01/54/24/180015424.db2.gz NXWJBUXEVIBYSF-ZDUSSCGKSA-N 1 0 260.422 2.223 10 0 CEAERO CC[NH2+][C@](C)(CO)CCCO[C@H](C)C(F)(F)F ZINC000090676044 180022518 /nfs/dbraw/zinc/02/25/18/180022518.db2.gz SPXZHMVFPGFAFQ-ZJUUUORDSA-N 1 0 257.296 2.095 10 0 CEAERO C[NH2+][C@@](CO)(CO[C@H](C)C(F)(F)F)c1ccccc1 ZINC000090676023 180022583 /nfs/dbraw/zinc/02/25/83/180022583.db2.gz YKSQOMXJDRTPGN-PWSUYJOCSA-N 1 0 277.286 2.061 10 0 CEAERO COC(C)(C)C[C@H](C)[NH2+]CCOCC(F)(F)F ZINC000104440226 186002962 /nfs/dbraw/zinc/00/29/62/186002962.db2.gz MOUVSIZWRZQWFL-VIFPVBQESA-N 1 0 257.296 2.359 10 0 CEAERO C[NH+](C)C[C@@H]1CSCCCN1C(=O)c1cccc(F)c1 ZINC000090699846 180027822 /nfs/dbraw/zinc/02/78/22/180027822.db2.gz IGIVCAWZRWETGH-CQSZACIVSA-N 1 0 296.411 2.335 10 0 CEAERO CCC(=O)N1CCCSC[C@@H]1C[NH+]1CCCCC1 ZINC000090701264 180028118 /nfs/dbraw/zinc/02/81/18/180028118.db2.gz OVQIJUFCRHCJSF-ZDUSSCGKSA-N 1 0 270.442 2.216 10 0 CEAERO COC(=O)c1cc(NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccn1 ZINC000090737359 180033965 /nfs/dbraw/zinc/03/39/65/180033965.db2.gz PRNYQAVRYVTZRC-QXMXGUDHSA-N 1 0 289.379 2.153 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](O)C2)C12CCC2 ZINC000250578560 539753456 /nfs/dbraw/zinc/75/34/56/539753456.db2.gz XTGGRPWXHCNLJI-XDQVBPFNSA-N 1 0 253.386 2.227 10 0 CEAERO COC(=O)c1cc(OC[C@H]2CCCC[C@@H]2C[NH3+])ccn1 ZINC000090739932 180035093 /nfs/dbraw/zinc/03/50/93/180035093.db2.gz XRKNJQNILWIPMG-VXGBXAGGSA-N 1 0 278.352 2.012 10 0 CEAERO CC(C)Oc1cc(O[C@H]2CCCC[C@H]2C[NH3+])ncn1 ZINC000090786352 180040780 /nfs/dbraw/zinc/04/07/80/180040780.db2.gz SENURFWODADBFI-RYUDHWBXSA-N 1 0 265.357 2.160 10 0 CEAERO CCOc1cc(NC[C@H]2CCCC[C@@H]2C[NH3+])nc(C)n1 ZINC000090788426 180041217 /nfs/dbraw/zinc/04/12/17/180041217.db2.gz QNYOXUMWEKDHDN-CHWSQXEVSA-N 1 0 278.400 2.361 10 0 CEAERO CCOc1cc(NC[C@@H]2CCCC[C@H]2C[NH3+])nc(C)n1 ZINC000090788427 180041275 /nfs/dbraw/zinc/04/12/75/180041275.db2.gz QNYOXUMWEKDHDN-STQMWFEESA-N 1 0 278.400 2.361 10 0 CEAERO COc1ncnc(N(CCC[NH3+])c2ccccc2F)c1C ZINC000090788675 180041283 /nfs/dbraw/zinc/04/12/83/180041283.db2.gz DPBBSXHKBIMRPS-UHFFFAOYSA-N 1 0 290.342 2.420 10 0 CEAERO CCOc1cc(Oc2ccc(CC[NH3+])cc2)nc(C)n1 ZINC000090788097 180041501 /nfs/dbraw/zinc/04/15/01/180041501.db2.gz MCOQHVPKEPXEEN-UHFFFAOYSA-N 1 0 273.336 2.477 10 0 CEAERO CCOc1ncnc(N[C@@H]2CCCC[C@@H]2C[NH3+])c1C ZINC000090789711 180041906 /nfs/dbraw/zinc/04/19/06/180041906.db2.gz PGMQHZQFSZGNIE-VXGBXAGGSA-N 1 0 264.373 2.113 10 0 CEAERO CCOc1ncnc(NC[C@@H]2CCCC[C@@H]2C[NH3+])c1C ZINC000090790176 180042253 /nfs/dbraw/zinc/04/22/53/180042253.db2.gz XTHKAXDBYLPBEL-OLZOCXBDSA-N 1 0 278.400 2.361 10 0 CEAERO CCOc1ncnc(N[C@@H]2CC[NH2+]C3(CCC3)C2)c1C ZINC000090789545 180042254 /nfs/dbraw/zinc/04/22/54/180042254.db2.gz BZYPMRHYQROSDF-GFCCVEGCSA-N 1 0 276.384 2.270 10 0 CEAERO COc1cc(NCC[N@H+](C)C2CCCC2)nc(C)n1 ZINC000090792493 180042515 /nfs/dbraw/zinc/04/25/15/180042515.db2.gz LSBUBZHOUPJBCD-UHFFFAOYSA-N 1 0 264.373 2.080 10 0 CEAERO C[C@H]([NH2+]C[C@H](C)[S@](C)=O)c1ccc(F)c(F)c1 ZINC000090841301 180043401 /nfs/dbraw/zinc/04/34/01/180043401.db2.gz YXJJOJXZFFXTBE-IRWWLHRVSA-N 1 0 261.337 2.382 10 0 CEAERO C[NH2+][C@H]1C[C@@H](Oc2c(C)nn(C)c2C)C12CCCC2 ZINC000090865733 180048185 /nfs/dbraw/zinc/04/81/85/180048185.db2.gz XLMHBXZOWVCKOK-QWHCGFSZSA-N 1 0 263.385 2.336 10 0 CEAERO C[NH2+]Cc1cccc(SC[C@@H](O)COC(C)C)c1 ZINC000090870944 180049251 /nfs/dbraw/zinc/04/92/51/180049251.db2.gz QBCPPOMQUQBBBZ-ZDUSSCGKSA-N 1 0 269.410 2.284 10 0 CEAERO c1ccc2c(c1)nsc2NCCOC1CC[NH2+]CC1 ZINC000090869395 180049521 /nfs/dbraw/zinc/04/95/21/180049521.db2.gz YWNVGRAFJATCSB-UHFFFAOYSA-N 1 0 277.393 2.477 10 0 CEAERO c1ccc2c(c1)C[C@@H](CN1CCC[C@H](C[NH2+]C3CC3)C1)O2 ZINC000090875385 180050927 /nfs/dbraw/zinc/05/09/27/180050927.db2.gz MFSAHANSNUNMDU-PBHICJAKSA-N 1 0 286.419 2.454 10 0 CEAERO c1ccc2c(c1)C[C@H](COCC[C@H]1CCC[NH2+]C1)O2 ZINC000090875666 180051138 /nfs/dbraw/zinc/05/11/38/180051138.db2.gz JVHSMQBTYKJMEW-UKRRQHHQSA-N 1 0 261.365 2.396 10 0 CEAERO CC[C@@H](COC)[NH2+]C[C@H]1Cc2cc(F)ccc2O1 ZINC000090892876 180054855 /nfs/dbraw/zinc/05/48/55/180054855.db2.gz CIGUKMOTGJARRD-QWHCGFSZSA-N 1 0 253.317 2.144 10 0 CEAERO CN1CCCC[C@H]1C[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892556 180054918 /nfs/dbraw/zinc/05/49/18/180054918.db2.gz CUVLPKPJNLBXOF-GJZGRUSLSA-N 1 0 278.371 2.203 10 0 CEAERO CCCCN(CC[NH3+])C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893503 180055010 /nfs/dbraw/zinc/05/50/10/180055010.db2.gz SFHRANPHRXXLLH-AWEZNQCLSA-N 1 0 266.360 2.190 10 0 CEAERO COc1cc(C[NH2+]C[C@@H]2Cc3cc(F)ccc3O2)ccn1 ZINC000090892745 180055336 /nfs/dbraw/zinc/05/53/36/180055336.db2.gz WQQUQSDGJFYGIC-AWEZNQCLSA-N 1 0 288.322 2.323 10 0 CEAERO Fc1ccc2c(c1)C[C@H](CN1CCC[C@@H]1[C@@H]1CCC[NH2+]1)O2 ZINC000090894277 180055716 /nfs/dbraw/zinc/05/57/16/180055716.db2.gz GNAIAYOOEONHOQ-OWCLPIDISA-N 1 0 290.382 2.346 10 0 CEAERO CC[C@H](C)NC(=O)CC[NH2+]C[C@H]1Cc2cc(C)ccc2O1 ZINC000090897487 180057357 /nfs/dbraw/zinc/05/73/57/180057357.db2.gz LZFAVOFCIUGSPO-DZGCQCFKSA-N 1 0 290.407 2.193 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](COC[C@@H]1CCCC[NH2+]1)O2 ZINC000090899120 180058413 /nfs/dbraw/zinc/05/84/13/180058413.db2.gz NGMVIRZEGZCANN-GJZGRUSLSA-N 1 0 261.365 2.457 10 0 CEAERO C[N@H+](CC1CC(O)C1)C[C@H]1Cc2cc(Cl)ccc2O1 ZINC000090901058 180059253 /nfs/dbraw/zinc/05/92/53/180059253.db2.gz SEHDCVDOHIBXGL-UZANAETPSA-N 1 0 281.783 2.346 10 0 CEAERO Cn1ccnc1CC[NH2+]C[C@H]1Cc2cc(Cl)ccc2O1 ZINC000090904446 180059974 /nfs/dbraw/zinc/05/99/74/180059974.db2.gz SMUVMKYKYJHDGK-CYBMUJFWSA-N 1 0 291.782 2.209 10 0 CEAERO CC[C@@]1(C)CN(C[C@@H]2Cc3cc(C)ccc3O2)CC[NH2+]1 ZINC000090902434 180059983 /nfs/dbraw/zinc/05/99/83/180059983.db2.gz KYCYNZFMFCRVPB-RDJZCZTQSA-N 1 0 274.408 2.372 10 0 CEAERO CCCNC(=O)CC[NH2+]C[C@H]1Cc2cc(Cl)ccc2O1 ZINC000090904418 180060071 /nfs/dbraw/zinc/06/00/71/180060071.db2.gz OVMFPPFKQPNYRJ-CYBMUJFWSA-N 1 0 296.798 2.149 10 0 CEAERO C[C@H](CN1C[C@H]2CC[C@@H](C1)O2)C(=O)c1ccccc1 ZINC000090907426 180060819 /nfs/dbraw/zinc/06/08/19/180060819.db2.gz HAGMALBFFYQKOH-YUELXQCFSA-N 1 0 259.349 2.369 10 0 CEAERO Cc1ccc([C@@H](O)CN2C[C@H]3CC[C@@H](C2)O3)cc1C ZINC000090906957 180061055 /nfs/dbraw/zinc/06/10/55/180061055.db2.gz XWHAUZWUMBNWNF-XHSDSOJGSA-N 1 0 261.365 2.200 10 0 CEAERO CC[NH2+]Cc1sc(N2C[C@H]3CC[C@@H](C2)O3)nc1CC ZINC000090908175 180062060 /nfs/dbraw/zinc/06/20/60/180062060.db2.gz AAAIFFHJIBCONY-PHIMTYICSA-N 1 0 281.425 2.183 10 0 CEAERO C[NH2+]C[C@](C)(CN1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000090907501 180062342 /nfs/dbraw/zinc/06/23/42/180062342.db2.gz YXZFTQIVUNVWLS-IXDOHACOSA-N 1 0 274.408 2.027 10 0 CEAERO C[NH2+]CC1(CN2C[C@H]3CC[C@@H](C2)O3)CCCCC1 ZINC000090907522 180062386 /nfs/dbraw/zinc/06/23/86/180062386.db2.gz PLDZMMIDPONMGE-OKILXGFUSA-N 1 0 252.402 2.020 10 0 CEAERO Cc1[nH]c(=S)sc1CC(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000104501334 186008455 /nfs/dbraw/zinc/00/84/55/186008455.db2.gz NZAIUDBVEMQXHB-SNVBAGLBSA-N 1 0 299.465 2.067 10 0 CEAERO C[C@@H]1CC[C@H](NC(=O)c2csc(CC[NH3+])n2)C[C@@H]1C ZINC000090957427 180074522 /nfs/dbraw/zinc/07/45/22/180074522.db2.gz LZLQSWCGSITBSD-VWYCJHECSA-N 1 0 281.425 2.199 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+]C1(CO)CCCC1 ZINC000090960610 180075302 /nfs/dbraw/zinc/07/53/02/180075302.db2.gz DSNGVQCLRFTPMY-UHFFFAOYSA-N 1 0 268.382 2.101 10 0 CEAERO CC[N@@H+]1CC[C@@H](CNCc2sccc2NC(C)=O)C1 ZINC000090960158 180075466 /nfs/dbraw/zinc/07/54/66/180075466.db2.gz FVDPWPDHEMWRGV-LBPRGKRZSA-N 1 0 281.425 2.138 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+]CCc1ccncc1 ZINC000090960175 180075579 /nfs/dbraw/zinc/07/55/79/180075579.db2.gz ZWHIRPFWXGPDBW-UHFFFAOYSA-N 1 0 275.377 2.434 10 0 CEAERO Nc1ccccc1C[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000090962135 180076124 /nfs/dbraw/zinc/07/61/24/180076124.db2.gz PDNURDIBTNOOEY-LLVKDONJSA-N 1 0 287.329 2.243 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000090960827 180076152 /nfs/dbraw/zinc/07/61/52/180076152.db2.gz JKQJGQATKDGHGJ-DGCLKSJQSA-N 1 0 282.409 2.347 10 0 CEAERO Nc1ccccc1C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000090961166 180076308 /nfs/dbraw/zinc/07/63/08/180076308.db2.gz HDUDSOTYIVBFMV-UHFFFAOYSA-N 1 0 270.332 2.330 10 0 CEAERO CC(=O)Nc1ccccc1CN[C@@H](C)CC[NH+](C)C ZINC000090962423 180077035 /nfs/dbraw/zinc/07/70/35/180077035.db2.gz OCBQZFZBNDSYJR-LBPRGKRZSA-N 1 0 263.385 2.075 10 0 CEAERO CCOC[C@H](C)[NH2+]Cc1ccccc1NC(C)=O ZINC000090962479 180077540 /nfs/dbraw/zinc/07/75/40/180077540.db2.gz BKEKSRUQKFZNOW-NSHDSACASA-N 1 0 250.342 2.160 10 0 CEAERO CC(C)C[NH2+]Cc1ncnn1C[C@H]1Cc2ccccc21 ZINC000090981611 180078852 /nfs/dbraw/zinc/07/88/52/180078852.db2.gz BMQPAMVRRPBEDU-CQSZACIVSA-N 1 0 270.380 2.364 10 0 CEAERO C[C@@H]([NH2+]C[C@H]1Cc2ccccc21)C(=O)NC(C)(C)C ZINC000090992344 180081178 /nfs/dbraw/zinc/08/11/78/180081178.db2.gz LQIRQALUXJLDOI-DGCLKSJQSA-N 1 0 260.381 2.219 10 0 CEAERO C[NH2+]Cc1cccn1CCCOCC(F)(F)F ZINC000090995813 180082609 /nfs/dbraw/zinc/08/26/09/180082609.db2.gz YDVKJQFTRAYIPY-UHFFFAOYSA-N 1 0 250.264 2.177 10 0 CEAERO CC(C)C[NH2+]Cc1cccn1CC(=O)N(C)C(C)C ZINC000091001917 180083267 /nfs/dbraw/zinc/08/32/67/180083267.db2.gz VYEBZHCAAMZNBT-UHFFFAOYSA-N 1 0 265.401 2.101 10 0 CEAERO CC[C@H](C)NC(=O)Cn1cccc1C[NH2+]C(C)(C)C ZINC000091001677 180083289 /nfs/dbraw/zinc/08/32/89/180083289.db2.gz DKYAZNWEEMZBRZ-LBPRGKRZSA-N 1 0 265.401 2.291 10 0 CEAERO CC(C)C[NH2+]Cc1cccn1CC(=O)OC(C)C ZINC000091001847 180083316 /nfs/dbraw/zinc/08/33/16/180083316.db2.gz BADXHSORQWJMGS-UHFFFAOYSA-N 1 0 252.358 2.185 10 0 CEAERO CCC[NH2+]Cc1cccn1CC(=O)N[C@@H](C)C(C)C ZINC000090996168 180083336 /nfs/dbraw/zinc/08/33/36/180083336.db2.gz HSPQNZNNQKUTJC-ZDUSSCGKSA-N 1 0 265.401 2.148 10 0 CEAERO CCCCOC(=O)Cn1cccc1C[NH2+]CCC ZINC000091000966 180083445 /nfs/dbraw/zinc/08/34/45/180083445.db2.gz LWCAJSSSKBWOSU-UHFFFAOYSA-N 1 0 252.358 2.331 10 0 CEAERO CC[C@H](C)NC(=O)Cn1nc(C)c(C[NH2+]CC(C)C)c1C ZINC000091002288 180084063 /nfs/dbraw/zinc/08/40/63/180084063.db2.gz SERCDKBXBKLWHK-LBPRGKRZSA-N 1 0 294.443 2.160 10 0 CEAERO CCN(CC)C(=O)Cn1nc(C)c(C[NH2+]CC(C)C)c1C ZINC000091002289 180084167 /nfs/dbraw/zinc/08/41/67/180084167.db2.gz IUZQBHFBXGSEON-UHFFFAOYSA-N 1 0 294.443 2.114 10 0 CEAERO COC(=O)CCCn1nc(C)c(C[NH2+]CC(C)C)c1C ZINC000091002278 180084314 /nfs/dbraw/zinc/08/43/14/180084314.db2.gz WCLANCQTEYHYNI-UHFFFAOYSA-N 1 0 281.400 2.199 10 0 CEAERO C[C@@H]([NH3+])Cc1ccn(C[C@@H]2Cc3ccccc3O2)c1 ZINC000091006056 180084708 /nfs/dbraw/zinc/08/47/08/180084708.db2.gz ZSMMHPVYNIBRAE-DOMZBBRYSA-N 1 0 256.349 2.382 10 0 CEAERO C[C@@H](CN1CCCC1)[NH2+]Cc1c[nH]c2ncccc12 ZINC000091017594 180087260 /nfs/dbraw/zinc/08/72/60/180087260.db2.gz YEVYPQZXRQPYRD-LBPRGKRZSA-N 1 0 258.369 2.137 10 0 CEAERO CC(C)n1ccc(Cn2cc(CC[NH3+])c3cccnc32)n1 ZINC000091021344 180088617 /nfs/dbraw/zinc/08/86/17/180088617.db2.gz BMULSWPIYCWIDA-UHFFFAOYSA-N 1 0 283.379 2.363 10 0 CEAERO C[C@@H]([NH3+])c1nc(-c2nc(C3CCC3)no2)cs1 ZINC000090939135 180068354 /nfs/dbraw/zinc/06/83/54/180068354.db2.gz CICUYPRFGHEGAQ-ZCFIWIBFSA-N 1 0 250.327 2.480 10 0 CEAERO [NH3+]CCc1nc(-c2n[nH]c(C3CCCC3)n2)cs1 ZINC000090945081 180069680 /nfs/dbraw/zinc/06/96/80/180069680.db2.gz YGKVWHPAEYMAJD-UHFFFAOYSA-N 1 0 263.370 2.087 10 0 CEAERO C[C@](O)(COCc1ccccc1)C1(C[NH3+])CCCC1 ZINC000669377646 539760854 /nfs/dbraw/zinc/76/08/54/539760854.db2.gz VXNBVPIIKVLMIN-HNNXBMFYSA-N 1 0 263.381 2.473 10 0 CEAERO CC(C)(C)n1c(C[C@H]2CSCC[NH2+]2)nc2cnccc21 ZINC000091128709 180099999 /nfs/dbraw/zinc/09/99/99/180099999.db2.gz PBXHLASJDCYWSN-NSHDSACASA-N 1 0 290.436 2.434 10 0 CEAERO CC(C)(C)n1c(C[C@@H]2CSCC[NH2+]2)nc2cnccc21 ZINC000091128708 180100057 /nfs/dbraw/zinc/10/00/57/180100057.db2.gz PBXHLASJDCYWSN-LLVKDONJSA-N 1 0 290.436 2.434 10 0 CEAERO Cc1cc2nc(C[C@@H]3CSCC[NH2+]3)[nH]c2cc1C ZINC000091128646 180100368 /nfs/dbraw/zinc/10/03/68/180100368.db2.gz SMIHNWMRBIAPTG-LLVKDONJSA-N 1 0 261.394 2.427 10 0 CEAERO C(SC1CCCC1)c1noc(C[C@@H]2CSCC[NH2+]2)n1 ZINC000091129187 180101262 /nfs/dbraw/zinc/10/12/62/180101262.db2.gz QSCJXSYCYQMDBH-SNVBAGLBSA-N 1 0 299.465 2.493 10 0 CEAERO CC(C)CN(CC(F)(F)F)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000091136343 180104955 /nfs/dbraw/zinc/10/49/55/180104955.db2.gz DWBUUWUHQPJZLM-SNVBAGLBSA-N 1 0 298.374 2.128 10 0 CEAERO CCCNC(=O)C[C@@H](CN)[N@H+](C)C1CCC(CC)CC1 ZINC000091317307 180133633 /nfs/dbraw/zinc/13/36/33/180133633.db2.gz VAVVBEQHGKBSDY-NRXISQOPSA-N 1 0 283.460 2.131 10 0 CEAERO CCC1(CC)CC[NH+]([C@H](CN)CC(=O)NC(C)C)CC1 ZINC000091318722 180133897 /nfs/dbraw/zinc/13/38/97/180133897.db2.gz VPWREGMPRXKDIK-AWEZNQCLSA-N 1 0 283.460 2.131 10 0 CEAERO CCNC(=O)C[C@H](C[NH3+])N(C)[C@@H](C)c1cccc(Cl)c1 ZINC000091316435 180133943 /nfs/dbraw/zinc/13/39/43/180133943.db2.gz WCTCUUKAQDXTCX-SMDDNHRTSA-N 1 0 297.830 2.186 10 0 CEAERO Cc1ccccc1N[C@H](C[NH3+])CC(=O)NC(C)(C)C ZINC000091321841 180134363 /nfs/dbraw/zinc/13/43/63/180134363.db2.gz UMOVMKVTKFECOD-LBPRGKRZSA-N 1 0 263.385 2.039 10 0 CEAERO CCC1CCC([N@H+](C)[C@H](CN)CC(=O)N2CCCC2)CC1 ZINC000091323424 180134497 /nfs/dbraw/zinc/13/44/97/180134497.db2.gz IDJHWAVQFYZFOR-GPANFISMSA-N 1 0 295.471 2.227 10 0 CEAERO CCCC1CCN([C@H](C[NH3+])CC(=O)N2CCCCC2)CC1 ZINC000091325397 180135282 /nfs/dbraw/zinc/13/52/82/180135282.db2.gz DUZACZGUSMKRJT-INIZCTEOSA-N 1 0 295.471 2.228 10 0 CEAERO CCn1nc(C)cc1C[C@@](C[NH3+])(c1ccccc1)[C@@H](C)O ZINC000091327816 180135852 /nfs/dbraw/zinc/13/58/52/180135852.db2.gz WNOSDLLKFVPBSN-PBHICJAKSA-N 1 0 287.407 2.031 10 0 CEAERO CC(C)OCC[C@](C[NH3+])(c1ccccc1)[C@H](C)O ZINC000091327703 180135862 /nfs/dbraw/zinc/13/58/62/180135862.db2.gz PUVQFMCHBLSBPN-DZGCQCFKSA-N 1 0 251.370 2.079 10 0 CEAERO COCC[NH2+]Cc1cnn(C(C)C)c1C(F)(F)F ZINC000091337329 180136167 /nfs/dbraw/zinc/13/61/67/180136167.db2.gz FJWRTRLYFMSJAP-UHFFFAOYSA-N 1 0 265.279 2.219 10 0 CEAERO C[NH2+]Cc1cnn(-c2cc(C)ccn2)c1C(F)(F)F ZINC000091338403 180136246 /nfs/dbraw/zinc/13/62/46/180136246.db2.gz YADPMOXJJBIYLK-UHFFFAOYSA-N 1 0 270.258 2.314 10 0 CEAERO C[C@H](Cc1ccc(Cl)cc1)[NH2+]CC[S@](C)=O ZINC000091341920 180136892 /nfs/dbraw/zinc/13/68/92/180136892.db2.gz CDRIGOKLYVXFIR-QLJPJBMISA-N 1 0 259.802 2.239 10 0 CEAERO C[C@@H](CO)[C@@H](C)[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000091345105 180137212 /nfs/dbraw/zinc/13/72/12/180137212.db2.gz SVBQBDQPUWMMHY-TUAOUCFPSA-N 1 0 261.369 2.241 10 0 CEAERO CCc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000412042386 233322467 /nfs/dbraw/zinc/32/24/67/233322467.db2.gz KGAWQJJIQGEHJD-YNEHKIRRSA-N 1 0 264.369 2.138 10 0 CEAERO COc1ncccc1NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091359842 180140262 /nfs/dbraw/zinc/14/02/62/180140262.db2.gz LYNMGJXUYLUDCS-AVGNSLFASA-N 1 0 289.379 2.340 10 0 CEAERO CCOCCN(CC)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091361322 180141019 /nfs/dbraw/zinc/14/10/19/180141019.db2.gz SUDGGAOAXNJXQW-KKUMJFAQSA-N 1 0 282.428 2.182 10 0 CEAERO C[C@@H]1CN(C[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)C[C@@H](C)O1 ZINC000091362023 180141819 /nfs/dbraw/zinc/14/18/19/180141819.db2.gz SZJZXXNBFCEYAS-OWYFMNJBSA-N 1 0 266.429 2.406 10 0 CEAERO CC(C)n1cncc1CN1C[C@H](C[NH3+])CC[C@@H]1C ZINC000091273061 180117947 /nfs/dbraw/zinc/11/79/47/180117947.db2.gz JNHZVCWGBSYGOK-STQMWFEESA-N 1 0 250.390 2.023 10 0 CEAERO CCCN(Cc1cncn1C(C)C)[C@@H]1CCC[NH2+]C1 ZINC000091273024 180118045 /nfs/dbraw/zinc/11/80/45/180118045.db2.gz UZNFGYCSDNNZAS-CQSZACIVSA-N 1 0 264.417 2.428 10 0 CEAERO CC(C)N1C(=O)CCC[C@@H]([NH3+])[C@@H]1c1cncn1C1CC1 ZINC000091275596 180119247 /nfs/dbraw/zinc/11/92/47/180119247.db2.gz VSSMVMGRYIVVJY-IUODEOHRSA-N 1 0 276.384 2.007 10 0 CEAERO CN(CC1CCCC1)[C@@H](C[NH3+])c1cncn1C1CC1 ZINC000091276565 180119595 /nfs/dbraw/zinc/11/95/95/180119595.db2.gz UVQUMFFCUCDSFA-AWEZNQCLSA-N 1 0 262.401 2.340 10 0 CEAERO CCN(C(=O)C[C@@H]1CSCC[NH2+]1)c1cccc(F)c1 ZINC000091290668 180122290 /nfs/dbraw/zinc/12/22/90/180122290.db2.gz JCJMOCURUQESKU-GFCCVEGCSA-N 1 0 282.384 2.274 10 0 CEAERO C[C@@H]1CCCCC[C@H]1NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000091291819 180122897 /nfs/dbraw/zinc/12/28/97/180122897.db2.gz MTRXUDSXNIBVES-JHJVBQTASA-N 1 0 270.442 2.167 10 0 CEAERO C[C@@H]1CCCCC[C@@H]1NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000091291817 180123052 /nfs/dbraw/zinc/12/30/52/180123052.db2.gz MTRXUDSXNIBVES-UPJWGTAASA-N 1 0 270.442 2.167 10 0 CEAERO CCCN(CC[C@@H]1CSCC[NH2+]1)CC(F)(F)F ZINC000091292175 180123511 /nfs/dbraw/zinc/12/35/11/180123511.db2.gz JYAMWMLEYLVLPA-SNVBAGLBSA-N 1 0 270.364 2.356 10 0 CEAERO Fc1ccc(-c2noc(C[C@@H]3C[NH2+]CCO3)n2)c(Cl)c1 ZINC000091295101 180124564 /nfs/dbraw/zinc/12/45/64/180124564.db2.gz JRQCCHVNUJYOAC-SECBINFHSA-N 1 0 297.717 2.060 10 0 CEAERO CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@H]([NH3+])[C@@]3(CCOC3)[C@H]21 ZINC000669382893 539765698 /nfs/dbraw/zinc/76/56/98/539765698.db2.gz FPTCDFSSZUZYRO-DVZHBHJUSA-N 1 0 296.411 2.140 10 0 CEAERO CC[C@@H]1CCC(=O)[C@@H](C[N@@H+]2CCC[C@H](N(C)C)C2)C1 ZINC000091428357 180153148 /nfs/dbraw/zinc/15/31/48/180153148.db2.gz PEKPCDUFLLTHJU-KFWWJZLASA-N 1 0 266.429 2.408 10 0 CEAERO CC(C)(C)n1c2ccc(C[NH3+])cc2nc1C1CC(O)C1 ZINC000091431065 180153350 /nfs/dbraw/zinc/15/33/50/180153350.db2.gz DIONPWSKPBDJPE-UHFFFAOYSA-N 1 0 273.380 2.488 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1cccc(OC)c1)N(C)CC1CC(O)C1 ZINC000091450860 180158716 /nfs/dbraw/zinc/15/87/16/180158716.db2.gz JOUOJFUBRJUGDU-KNHPQMQCSA-N 1 0 292.423 2.176 10 0 CEAERO CN(CC1CC(O)C1)[C@@H](C[NH3+])c1ccccc1Cl ZINC000091460399 180161871 /nfs/dbraw/zinc/16/18/71/180161871.db2.gz ASFQQBVZTOQDFB-MGULZYLOSA-N 1 0 268.788 2.043 10 0 CEAERO O[C@H](C[NH2+]C1CC1)c1cccc(OC(F)(F)F)c1 ZINC000091466592 180164180 /nfs/dbraw/zinc/16/41/80/180164180.db2.gz FSVWLCARLNQMPQ-LLVKDONJSA-N 1 0 261.243 2.371 10 0 CEAERO CC[NH2+]CC[C@](C)(O)Cc1ccn([C@@H](C)CC)n1 ZINC000091467772 180164201 /nfs/dbraw/zinc/16/42/01/180164201.db2.gz RYUSAOSKCUOWHG-JSGCOSHPSA-N 1 0 253.390 2.147 10 0 CEAERO COc1ccc(OC)c([C@@](C)(O)CC[NH2+]C(C)C)c1 ZINC000091470104 180164876 /nfs/dbraw/zinc/16/48/76/180164876.db2.gz DBTIZTOTNVLEOC-HNNXBMFYSA-N 1 0 267.369 2.299 10 0 CEAERO CSC1(C[NH3+])CCN(c2nc(C)c(C)s2)CC1 ZINC000091471098 180164885 /nfs/dbraw/zinc/16/48/85/180164885.db2.gz JKSYLOOXYKHPKZ-UHFFFAOYSA-N 1 0 271.455 2.421 10 0 CEAERO Cc1ccc(C(F)(F)F)cc1NC(=O)[C@@]1([NH3+])CCOC1 ZINC000091480005 180166712 /nfs/dbraw/zinc/16/67/12/180166712.db2.gz OMVOWRKRSFZRLI-GFCCVEGCSA-N 1 0 288.269 2.070 10 0 CEAERO CN(C(=O)C1C(C)(C)C1(C)C)[C@H]1CCC[C@@H]1C[NH3+] ZINC000091492808 180170849 /nfs/dbraw/zinc/17/08/49/180170849.db2.gz PNVGENAHUUVWRC-MNOVXSKESA-N 1 0 252.402 2.254 10 0 CEAERO CCn1nc(C)c(-c2csc([C@H]3C[NH2+]CCO3)n2)c1C ZINC000091499634 180174162 /nfs/dbraw/zinc/17/41/62/180174162.db2.gz FYIHNSSXSPELHM-GFCCVEGCSA-N 1 0 292.408 2.304 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2N)C1 ZINC000091393046 180145793 /nfs/dbraw/zinc/14/57/93/180145793.db2.gz PQUQAVRZCSDEKI-LLVKDONJSA-N 1 0 281.787 2.088 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(N)c2)C1 ZINC000091394649 180146344 /nfs/dbraw/zinc/14/63/44/180146344.db2.gz BIYMCJHQKREZQW-LLVKDONJSA-N 1 0 281.787 2.088 10 0 CEAERO CN(C)[C@@H](C[NH2+]Cc1cnco1)c1cccs1 ZINC000091408387 180148229 /nfs/dbraw/zinc/14/82/29/180148229.db2.gz DZXNMZGKHIKDNF-NSHDSACASA-N 1 0 251.355 2.129 10 0 CEAERO CCC[NH2+]Cc1cncc(-n2cc(C(F)(F)F)cn2)n1 ZINC000091422552 180151149 /nfs/dbraw/zinc/15/11/49/180151149.db2.gz PHUBNWAIZBWHLZ-UHFFFAOYSA-N 1 0 285.273 2.181 10 0 CEAERO CC(C)[NH2+]Cc1cncc(-n2cnc3ccccc32)n1 ZINC000091422373 180151251 /nfs/dbraw/zinc/15/12/51/180151251.db2.gz QVBWBOPJQOBZGN-UHFFFAOYSA-N 1 0 267.336 2.314 10 0 CEAERO Cc1cc([C@@H](C)[NH2+][C@H]2CC(=O)N(C3CC3)C2=O)c(C)s1 ZINC000105076690 186040457 /nfs/dbraw/zinc/04/04/57/186040457.db2.gz JAHJLDSDXWBWHD-RNCFNFMXSA-N 1 0 292.404 2.305 10 0 CEAERO Cc1cccc(C[C@@H](O)C(C)(C)[NH+]2CCOCC2)c1 ZINC000091565748 180193500 /nfs/dbraw/zinc/19/35/00/180193500.db2.gz LYVPGAUAYRWJIO-OAHLLOKOSA-N 1 0 263.381 2.009 10 0 CEAERO CC(C)([C@H]([NH3+])c1cc(F)cc(F)c1)N1CCOCC1 ZINC000091566259 180193901 /nfs/dbraw/zinc/19/39/01/180193901.db2.gz NRHGBNYSPQENQV-CYBMUJFWSA-N 1 0 270.323 2.075 10 0 CEAERO C[NH2+][C@H](c1ccccc1OC)C(C)(C)N1CCOCC1 ZINC000091566461 180194292 /nfs/dbraw/zinc/19/42/92/180194292.db2.gz CTAXLGNHYXOPNA-OAHLLOKOSA-N 1 0 278.396 2.067 10 0 CEAERO CN[C@H](c1ccnn1C)C(C)(C)[NH+]1CCCCCC1 ZINC000091568262 180194560 /nfs/dbraw/zinc/19/45/60/180194560.db2.gz RMHCRUYBINIPIF-CQSZACIVSA-N 1 0 264.417 2.335 10 0 CEAERO CCc1cc(CC(=O)[C@@](C)(CC)[NH+](C)C)n(CC)n1 ZINC000091568722 180194786 /nfs/dbraw/zinc/19/47/86/180194786.db2.gz UWEJPKBVTLTCKG-OAHLLOKOSA-N 1 0 265.401 2.307 10 0 CEAERO CCc1nn(C)c(CC(=O)[C@@](C)(CC)[NH+](C)C)c1Cl ZINC000091568926 180194938 /nfs/dbraw/zinc/19/49/38/180194938.db2.gz FVQNEHIPLHRPID-CQSZACIVSA-N 1 0 285.819 2.478 10 0 CEAERO CC[C@](C)([C@H](N)Cc1ccn(C(C)C)n1)[NH+](C)C ZINC000091570081 180195627 /nfs/dbraw/zinc/19/56/27/180195627.db2.gz VXBGBZGCDXCDLR-ZIAGYGMSSA-N 1 0 252.406 2.064 10 0 CEAERO CC[C@@](C)([C@@H]([NH2+]C)c1cc(Cl)cnc1N)N(C)C ZINC000091570342 180195846 /nfs/dbraw/zinc/19/58/46/180195846.db2.gz WYMWOINVSYWYJU-AAEUAGOBSA-N 1 0 270.808 2.308 10 0 CEAERO CCc1cc(C[C@H](O)[C@@](C)(CC)[NH+](CC)CC)n(C)n1 ZINC000091572956 180196062 /nfs/dbraw/zinc/19/60/62/180196062.db2.gz ROHQDDYMIJILRV-JKSUJKDBSA-N 1 0 281.444 2.396 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@@H](O)c1cccnc1N ZINC000091573022 180196279 /nfs/dbraw/zinc/19/62/79/180196279.db2.gz RDJLHUZDYLZCMT-JSGCOSHPSA-N 1 0 251.374 2.208 10 0 CEAERO CCn1nccc1[C@@H](N)[C@](C)(CC)[NH+](CC)CC ZINC000091573548 180196562 /nfs/dbraw/zinc/19/65/62/180196562.db2.gz XWJLBDMWXXZFPI-KGLIPLIRSA-N 1 0 252.406 2.413 10 0 CEAERO CCn1ccnc1[C@H](N)[C@@](C)(CC)[NH+](CC)CC ZINC000091573975 180197331 /nfs/dbraw/zinc/19/73/31/180197331.db2.gz TZHSFTWOUFYBOS-GXTWGEPZSA-N 1 0 252.406 2.413 10 0 CEAERO CC(C)c1nn(C)c(NC[C@@H](C)[NH+]2CCCCC2)c1N ZINC000091581416 180198851 /nfs/dbraw/zinc/19/88/51/180198851.db2.gz CHSRMLGNALQKAJ-GFCCVEGCSA-N 1 0 279.432 2.412 10 0 CEAERO CC[NH2+][C@H](Cc1cnn(C)c1)[C@](C)(CC)N(CC)CC ZINC000091600389 180202167 /nfs/dbraw/zinc/20/21/67/180202167.db2.gz BONVNAJPKMRFII-CVEARBPZSA-N 1 0 280.460 2.451 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@H](NC)c1cncnc1 ZINC000091599146 180202333 /nfs/dbraw/zinc/20/23/33/180202333.db2.gz KRKQXAZPEZYBNI-ZIAGYGMSSA-N 1 0 250.390 2.248 10 0 CEAERO CC[C@](C)(C(=O)c1cc(C)cnc1N)[NH+]1CCCC1 ZINC000091601942 180203099 /nfs/dbraw/zinc/20/30/99/180203099.db2.gz OLLCHELLJUHQID-OAHLLOKOSA-N 1 0 261.369 2.419 10 0 CEAERO CCn1cc([C@H](O)[C@](C)(CC)[NH+]2CCCC2)cn1 ZINC000091602754 180203483 /nfs/dbraw/zinc/20/34/83/180203483.db2.gz JBRPNUDFZQIQOG-KBPBESRZSA-N 1 0 251.374 2.201 10 0 CEAERO CC[C@](C)([C@@H](N)Cc1ncnn1CC(C)C)[NH+]1CCCC1 ZINC000091604454 180203492 /nfs/dbraw/zinc/20/34/92/180203492.db2.gz UQPORGAQIQSKES-GOEBONIOSA-N 1 0 293.459 2.068 10 0 CEAERO CCn1ccnc1[C@H](N)[C@@](C)(CC)[NH+]1CCCC1 ZINC000091605581 180204188 /nfs/dbraw/zinc/20/41/88/180204188.db2.gz PMIFCTIWKNGWRY-GXTWGEPZSA-N 1 0 250.390 2.167 10 0 CEAERO CCc1cc(C[C@H](N)[C@](C)(CC)[NH+]2CCCC2)n(C)n1 ZINC000091605401 180204381 /nfs/dbraw/zinc/20/43/81/180204381.db2.gz FJFDOCCNWRTKMI-HOTGVXAUSA-N 1 0 278.444 2.117 10 0 CEAERO CCN[C@@H](c1nccn1C)[C@@](C)(CC)[NH+]1CCCC1 ZINC000091607256 180204407 /nfs/dbraw/zinc/20/44/07/180204407.db2.gz FHBWTIHSYMNWHJ-DZGCQCFKSA-N 1 0 264.417 2.335 10 0 CEAERO CC[C@@](C)([C@@H](N)c1c(C)ccnc1N)[NH+]1CCCC1 ZINC000091604784 180204701 /nfs/dbraw/zinc/20/47/01/180204701.db2.gz YAIIIMJFPCKVRU-ZFWWWQNUSA-N 1 0 262.401 2.237 10 0 CEAERO CC[C@](C)([C@H](Cc1cc(C)nn1C)[NH2+]C)N1CCCC1 ZINC000091606605 180204754 /nfs/dbraw/zinc/20/47/54/180204754.db2.gz NSJXCMANVPILAE-JKSUJKDBSA-N 1 0 278.444 2.124 10 0 CEAERO CC[C@](C)([C@@H]([NH3+])Cc1ccccc1F)N1CCOCC1 ZINC000091611568 180206197 /nfs/dbraw/zinc/20/61/97/180206197.db2.gz KZAMACGYPMXSRY-JKSUJKDBSA-N 1 0 280.387 2.196 10 0 CEAERO CC[C@](C)([C@H]([NH3+])c1ccsc1)N1CCOCC1 ZINC000091611618 180206285 /nfs/dbraw/zinc/20/62/85/180206285.db2.gz YYTJGBHWGKJMBE-CHWSQXEVSA-N 1 0 254.399 2.249 10 0 CEAERO CC[C@](C)([C@@H](O)c1ccc(F)cc1)[NH+]1CCOCC1 ZINC000091611260 180206594 /nfs/dbraw/zinc/20/65/94/180206594.db2.gz GAHIACRWXUVCSV-LSDHHAIUSA-N 1 0 267.344 2.360 10 0 CEAERO CC[C@@](C)([C@@H]([NH3+])c1cc(F)ccc1F)N1CCOCC1 ZINC000091611587 180206643 /nfs/dbraw/zinc/20/66/43/180206643.db2.gz AZLZWSMYNZIUMA-GJZGRUSLSA-N 1 0 284.350 2.466 10 0 CEAERO CC[NH2+][C@@H](Cc1ccccn1)[C@@](C)(CC)N1CCOCC1 ZINC000091612780 180207125 /nfs/dbraw/zinc/20/71/25/180207125.db2.gz HYZJOVXVJSFICE-DLBZAZTESA-N 1 0 291.439 2.103 10 0 CEAERO CC[C@@](C)([C@@H]([NH2+]C)C1CCCC1)N1CCOCC1 ZINC000091612379 180207127 /nfs/dbraw/zinc/20/71/27/180207127.db2.gz AUWLLKLNVUKUCK-GJZGRUSLSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@@](C)([C@@H]([NH3+])c1cccc(F)c1F)N1CCOCC1 ZINC000091612107 180207162 /nfs/dbraw/zinc/20/71/62/180207162.db2.gz PFDJBJGCQGDJBM-GJZGRUSLSA-N 1 0 284.350 2.466 10 0 CEAERO CC[NH2+][C@@H](c1cccnc1)[C@](C)(CC)N1CCOCC1 ZINC000091612851 180207289 /nfs/dbraw/zinc/20/72/89/180207289.db2.gz NZOMTNUDTQTEFS-HOTGVXAUSA-N 1 0 277.412 2.233 10 0 CEAERO CC[C@@](C)([C@@H](CCC(F)(F)F)[NH2+]C)N1CCOCC1 ZINC000091612701 180207485 /nfs/dbraw/zinc/20/74/85/180207485.db2.gz HVIWTDVXDYTQRD-NEPJUHHUSA-N 1 0 282.350 2.418 10 0 CEAERO CCCn1ccnc1[C@H]([NH2+]C)[C@](C)(CC)N1CCOCC1 ZINC000091612659 180207528 /nfs/dbraw/zinc/20/75/28/180207528.db2.gz MWPNYWNQCQKSRQ-HOCLYGCPSA-N 1 0 294.443 2.055 10 0 CEAERO CCC[NH2+][C@@H](Cc1ncnn1CC)C(CC)(CC)N(C)C ZINC000091615224 180207703 /nfs/dbraw/zinc/20/77/03/180207703.db2.gz APCLAUOEPDFPRY-AWEZNQCLSA-N 1 0 295.475 2.329 10 0 CEAERO CCC(CC)([C@H](N)Cc1ccn(C(C)C)n1)[NH+](C)C ZINC000091614143 180207996 /nfs/dbraw/zinc/20/79/96/180207996.db2.gz KACDUBJFYBWLLW-CQSZACIVSA-N 1 0 266.433 2.454 10 0 CEAERO CCn1cc([C@H]([NH2+]C)C(CC)(CC)N(C)C)cn1 ZINC000091614527 180208127 /nfs/dbraw/zinc/20/81/27/180208127.db2.gz DTYBLNIEMRHAKA-ZDUSSCGKSA-N 1 0 252.406 2.284 10 0 CEAERO CCC(CC)([C@H](N)c1cc(C)cnc1N)[NH+](C)C ZINC000091613937 180208233 /nfs/dbraw/zinc/20/82/33/180208233.db2.gz RDWZVGSLENVVLY-GFCCVEGCSA-N 1 0 250.390 2.092 10 0 CEAERO CCn1cc(C[C@H]([NH2+]C)C(CC)(CC)N(C)C)cn1 ZINC000091614361 180208287 /nfs/dbraw/zinc/20/82/87/180208287.db2.gz CIPCKVFFZWRWQZ-AWEZNQCLSA-N 1 0 266.433 2.154 10 0 CEAERO [NH3+]C1CC(CNC(=O)Cc2cccc3ccccc32)C1 ZINC000091524125 180178359 /nfs/dbraw/zinc/17/83/59/180178359.db2.gz DEGKPXGZWJSQMO-UHFFFAOYSA-N 1 0 268.360 2.236 10 0 CEAERO CC(C)C[NH2+]CC[C@](C)(O)c1cc(Cl)cnc1N ZINC000091523440 180178463 /nfs/dbraw/zinc/17/84/63/180178463.db2.gz MNSJFBXRYKRXJM-ZDUSSCGKSA-N 1 0 271.792 2.160 10 0 CEAERO OC1CC(C[NH2+][C@H]2CCCC[C@H]2C(F)(F)F)C1 ZINC000091525444 180178993 /nfs/dbraw/zinc/17/89/93/180178993.db2.gz NDXXPFDFPUVKSI-LXKPXOPUSA-N 1 0 251.292 2.468 10 0 CEAERO COc1ccc(C[C@H](N)C(C)(C)[NH+](C)C)cc1F ZINC000091528364 180179357 /nfs/dbraw/zinc/17/93/57/180179357.db2.gz WEYVIRWRJCCSBB-ZDUSSCGKSA-N 1 0 254.349 2.044 10 0 CEAERO COc1ccc(CC(=O)C(C)(C)[NH+](C)C)cc1F ZINC000091528119 180179451 /nfs/dbraw/zinc/17/94/51/180179451.db2.gz OUZWVHUZRYNZIG-UHFFFAOYSA-N 1 0 253.317 2.286 10 0 CEAERO COc1ccc(C[C@H](O)C(C)(C)[NH+](C)C)cc1F ZINC000091528296 180179495 /nfs/dbraw/zinc/17/94/95/180179495.db2.gz ZIJRKXYFXZABCQ-ZDUSSCGKSA-N 1 0 255.333 2.078 10 0 CEAERO CCN(CC)C(C)(C)[C@H]([NH2+]C)c1cccnc1N ZINC000091531177 180180398 /nfs/dbraw/zinc/18/03/98/180180398.db2.gz UZXDUSFNMBELNU-GFCCVEGCSA-N 1 0 250.390 2.045 10 0 CEAERO CCC[NH2+][C@@H](c1cccnc1N)C(C)(C)N(C)C ZINC000091529634 180180497 /nfs/dbraw/zinc/18/04/97/180180497.db2.gz SLMNWUXQQLDQHQ-LBPRGKRZSA-N 1 0 250.390 2.045 10 0 CEAERO CC[NH2+][C@H](c1ccc2c(c1)OCCO2)C(C)(C)N(C)C ZINC000091529047 180180560 /nfs/dbraw/zinc/18/05/60/180180560.db2.gz AJFGGCGLFMGKMM-OAHLLOKOSA-N 1 0 278.396 2.449 10 0 CEAERO COc1ccc(C)cc1CN(C)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091539640 180183247 /nfs/dbraw/zinc/18/32/47/180183247.db2.gz OPADVRBPHGRZMA-JSGCOSHPSA-N 1 0 276.380 2.089 10 0 CEAERO COc1ccc(C)cc1CN(C)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091539638 180183283 /nfs/dbraw/zinc/18/32/83/180183283.db2.gz OPADVRBPHGRZMA-OCCSQVGLSA-N 1 0 276.380 2.089 10 0 CEAERO CCCCOc1ccc(C(=O)NCC2CC([NH3+])C2)cc1 ZINC000091538487 180183284 /nfs/dbraw/zinc/18/32/84/180183284.db2.gz PBHUINGGWPAVEW-UHFFFAOYSA-N 1 0 276.380 2.333 10 0 CEAERO [NH3+][C@H]1CC[C@H](C(=O)N2CC=C(c3ccccc3)CC2)C1 ZINC000091548971 180188339 /nfs/dbraw/zinc/18/83/39/180188339.db2.gz VGDLENOBOJEDAD-HOTGVXAUSA-N 1 0 270.376 2.430 10 0 CEAERO C[NH+](C)C1([C@@H](N)c2ccc3c(c2)OCCO3)CCCC1 ZINC000091637289 180211241 /nfs/dbraw/zinc/21/12/41/180211241.db2.gz WMOSGZYMQVYRLB-HNNXBMFYSA-N 1 0 276.380 2.332 10 0 CEAERO CC[NH+](CC)C1(C(=O)Cc2cccnc2N)CCCC1 ZINC000091638655 180212623 /nfs/dbraw/zinc/21/26/23/180212623.db2.gz TWMMSORWXIYYCP-UHFFFAOYSA-N 1 0 275.396 2.430 10 0 CEAERO CC[NH+](CC)C1([C@H](N)Cc2cccnc2N)CCCC1 ZINC000091639176 180212725 /nfs/dbraw/zinc/21/27/25/180212725.db2.gz DFEJKDKRNVKVLZ-CQSZACIVSA-N 1 0 276.428 2.188 10 0 CEAERO O[C@@H]([C@@H]1CCOC1)C1([NH+]2CCCCC2)CCCC1 ZINC000091641538 180213011 /nfs/dbraw/zinc/21/30/11/180213011.db2.gz FGQPYFLDFUHUPC-KGLIPLIRSA-N 1 0 253.386 2.183 10 0 CEAERO N[C@H](Cc1ccncc1)C1([NH+]2CCCC2)CCCC1 ZINC000091640769 180213235 /nfs/dbraw/zinc/21/32/35/180213235.db2.gz MYPLUOZCHYQJNC-OAHLLOKOSA-N 1 0 259.397 2.360 10 0 CEAERO [NH3+][C@H](Cc1ccsc1)C1(N2CCOCC2)CCCC1 ZINC000091642976 180213918 /nfs/dbraw/zinc/21/39/18/180213918.db2.gz XMXPZEKMFHLAPX-CQSZACIVSA-N 1 0 280.437 2.263 10 0 CEAERO C[NH2+][C@H](Cc1ccnc(N)c1)C1(N(C)C)CCC(C)CC1 ZINC000091649073 180216479 /nfs/dbraw/zinc/21/64/79/180216479.db2.gz HPUYFDJBWAQQOW-GNHJJJEISA-N 1 0 290.455 2.305 10 0 CEAERO C[NH2+][C@@H](c1cncnc1)C1(N(C)C)CCC(C)CC1 ZINC000091649082 180216642 /nfs/dbraw/zinc/21/66/42/180216642.db2.gz QRTMBGZQJLEPDH-BLZCZZARSA-N 1 0 262.401 2.248 10 0 CEAERO C[C@@H](C[NH+]1CCCC1)Nc1nc(Cl)ncc1F ZINC000091655361 180216825 /nfs/dbraw/zinc/21/68/25/180216825.db2.gz PUNHEAIWLYJERC-QMMMGPOBSA-N 1 0 258.728 2.165 10 0 CEAERO CC(C)[C@@H](C[NH+](C)C)Nc1nc(Cl)ncc1F ZINC000091655375 180217016 /nfs/dbraw/zinc/21/70/16/180217016.db2.gz DLENBFDGFUZCHP-SECBINFHSA-N 1 0 260.744 2.267 10 0 CEAERO Cc1cc(C[C@H](N)[C@@]2([NH+](C)C)CCC[C@H](C)C2)n(C)n1 ZINC000091652234 180217050 /nfs/dbraw/zinc/21/70/50/180217050.db2.gz JYUYFORMFOHAOB-VBNZEHGJSA-N 1 0 278.444 2.109 10 0 CEAERO CC[NH+](CC)[C@@H]1CCN(c2nc(Cl)ncc2C)C1 ZINC000091659075 180218989 /nfs/dbraw/zinc/21/89/89/180218989.db2.gz CRKYTXMZVRWCGV-LLVKDONJSA-N 1 0 268.792 2.359 10 0 CEAERO C[NH2+][C@@H](c1cc(C)c(C)cc1C)[C@H]1CN(C)CCO1 ZINC000091717509 180231997 /nfs/dbraw/zinc/23/19/97/180231997.db2.gz IZMQZPBQTASTQP-CVEARBPZSA-N 1 0 262.397 2.203 10 0 CEAERO C[NH2+][C@@H](c1ccc(C(F)(F)F)cc1)[C@H]1CN(C)CCO1 ZINC000091717473 180232673 /nfs/dbraw/zinc/23/26/73/180232673.db2.gz PXYGTROPFTVAAS-OLZOCXBDSA-N 1 0 288.313 2.297 10 0 CEAERO CC[NH2+][C@H](c1ccc(F)cc1C)[C@@H]1CN(C)CCO1 ZINC000091718715 180233536 /nfs/dbraw/zinc/23/35/36/180233536.db2.gz ZBAYTFDSEJKCDT-LSDHHAIUSA-N 1 0 266.360 2.115 10 0 CEAERO CC[NH2+][C@H](c1ccc(C)cc1C)[C@H]1CN(C)CCO1 ZINC000091718221 180233668 /nfs/dbraw/zinc/23/36/68/180233668.db2.gz WIANEBVHUXBCNG-HZPDHXFCSA-N 1 0 262.397 2.285 10 0 CEAERO CC[NH2+][C@H](Cc1ccc(C)c(C)c1)[C@H]1CN(C)CCO1 ZINC000091718597 180233737 /nfs/dbraw/zinc/23/37/37/180233737.db2.gz NLSHBZYLNZMFIV-IAGOWNOFSA-N 1 0 276.424 2.155 10 0 CEAERO CCC[NH2+][C@@H](c1ccc(F)c(F)c1)[C@H]1CN(C)CCO1 ZINC000091719284 180234355 /nfs/dbraw/zinc/23/43/55/180234355.db2.gz RFVLIMFCPWKXDB-CABCVRRESA-N 1 0 284.350 2.336 10 0 CEAERO CCC[NH2+][C@H](c1cc(C)ccc1OC)[C@H]1CN(C)CCO1 ZINC000091719509 180234424 /nfs/dbraw/zinc/23/44/24/180234424.db2.gz NBUNPKSOFOOPJV-IAGOWNOFSA-N 1 0 292.423 2.375 10 0 CEAERO CCC[NH2+][C@H](Cc1cccc(F)c1F)CN(C)C ZINC000091719897 180234573 /nfs/dbraw/zinc/23/45/73/180234573.db2.gz JOQCNCZGWYYXJR-GFCCVEGCSA-N 1 0 256.340 2.437 10 0 CEAERO CCC[NH2+][C@@H](Cc1cc(C)ccc1OC)CN(C)C ZINC000091719878 180234597 /nfs/dbraw/zinc/23/45/97/180234597.db2.gz ILXGQBKJIBRJPS-HNNXBMFYSA-N 1 0 264.413 2.476 10 0 CEAERO [NH3+][C@H](c1ccccc1Cl)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091720243 180235116 /nfs/dbraw/zinc/23/51/16/180235116.db2.gz WZZISRHUJLNSSQ-DDTOSNHZSA-N 1 0 266.772 2.203 10 0 CEAERO C[NH2+][C@H](c1ccc(F)c(C)c1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091720958 180235398 /nfs/dbraw/zinc/23/53/98/180235398.db2.gz PVCLJSMIEKBRAV-VNQPRFMTSA-N 1 0 278.371 2.258 10 0 CEAERO CCc1ccc([C@H]([NH2+]C)[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000091721350 180238215 /nfs/dbraw/zinc/23/82/15/180238215.db2.gz VVBABIFKLHBWCT-ZACQAIPSSA-N 1 0 274.408 2.373 10 0 CEAERO CCC[C@H](CC)NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105202384 186045391 /nfs/dbraw/zinc/04/53/91/186045391.db2.gz KKPPCHABWIWEEP-UONOGXRCSA-N 1 0 267.417 2.445 10 0 CEAERO CCc1ccc(C(=O)N2C[C@H](C[NH3+])CC[C@H]2C)o1 ZINC000091762810 180248298 /nfs/dbraw/zinc/24/82/98/180248298.db2.gz BTHKXYMFXYXFKF-MNOVXSKESA-N 1 0 250.342 2.041 10 0 CEAERO CC[C@@H](CC[NH3+])CCC(=O)Nn1c(C)ccc1C ZINC000091795613 180258057 /nfs/dbraw/zinc/25/80/57/180258057.db2.gz QNPBQBASJGNTKW-CYBMUJFWSA-N 1 0 251.374 2.330 10 0 CEAERO C[NH2+]C1(CC(=O)Nn2c(C)ccc2C)CCCCC1 ZINC000091795563 180258225 /nfs/dbraw/zinc/25/82/25/180258225.db2.gz YPAQNKBIICMONC-UHFFFAOYSA-N 1 0 263.385 2.487 10 0 CEAERO CC[NH2+][C@H](C)c1cccn1Cc1ncnn1C(C)C ZINC000091802172 180259045 /nfs/dbraw/zinc/25/90/45/180259045.db2.gz XFYREWUIHHICQL-GFCCVEGCSA-N 1 0 261.373 2.379 10 0 CEAERO CCC[NH2+][C@H](c1cnccc1C)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091722271 180240098 /nfs/dbraw/zinc/24/00/98/180240098.db2.gz FVWULVYWGZISHN-DJIMGWMZSA-N 1 0 289.423 2.294 10 0 CEAERO CCC[NH2+][C@H](c1cncc(F)c1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091722301 180240226 /nfs/dbraw/zinc/24/02/26/180240226.db2.gz HBIMKNOJHSPPFA-OWCLPIDISA-N 1 0 293.386 2.125 10 0 CEAERO CCC[NH2+][C@H](CCC1CC1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091722245 180240813 /nfs/dbraw/zinc/24/08/13/180240813.db2.gz JXNVHCOVQHKWSR-OAGGEKHMSA-N 1 0 266.429 2.408 10 0 CEAERO CN1CCO[C@H](c2ncc(C[NH2+]C(C)(C)C)s2)C1 ZINC000091723171 180242384 /nfs/dbraw/zinc/24/23/84/180242384.db2.gz URRCCMPMZCOJNO-NSHDSACASA-N 1 0 269.414 2.034 10 0 CEAERO C[C@@H]([NH2+]CC1(O)CCSCC1)c1nccs1 ZINC000091726703 180243052 /nfs/dbraw/zinc/24/30/52/180243052.db2.gz KATJWDUYZZYFSD-SECBINFHSA-N 1 0 258.412 2.052 10 0 CEAERO Cc1cc(C)c(C[NH2+]C[C@H]2CN(C)CCO2)cc1C ZINC000105472426 186059378 /nfs/dbraw/zinc/05/93/78/186059378.db2.gz RPDXFXFLOWVURF-INIZCTEOSA-N 1 0 262.397 2.032 10 0 CEAERO C[N@H+](CCc1cccnc1)C1CCC2(CC1)OCCO2 ZINC000091853664 180273636 /nfs/dbraw/zinc/27/36/36/180273636.db2.gz DOIJZOKWHZFLPQ-UHFFFAOYSA-N 1 0 276.380 2.242 10 0 CEAERO C[N@H+](CC(=O)NC1CCCCCC1)C1CCC(=O)CC1 ZINC000091853812 180273747 /nfs/dbraw/zinc/27/37/47/180273747.db2.gz TXTQHUSRUGSLTK-UHFFFAOYSA-N 1 0 280.412 2.269 10 0 CEAERO C[N@H+](Cc1cscn1)C1CCC2(CC1)OCCO2 ZINC000091853710 180273767 /nfs/dbraw/zinc/27/37/67/180273767.db2.gz AJEPXNJJFJEZQY-UHFFFAOYSA-N 1 0 268.382 2.261 10 0 CEAERO Cc1ncsc1CC[N@@H+](C)C1CCC(=O)CC1 ZINC000091853979 180273809 /nfs/dbraw/zinc/27/38/09/180273809.db2.gz OXLIRCZNIDSJSU-UHFFFAOYSA-N 1 0 252.383 2.438 10 0 CEAERO CCC[NH2+][C@@H](C)c1cccn1CC(=O)N1CCCC1 ZINC000091802789 180260092 /nfs/dbraw/zinc/26/00/92/180260092.db2.gz HMADRMJNROLYSU-ZDUSSCGKSA-N 1 0 263.385 2.171 10 0 CEAERO CCC[C@H](C)NC(=O)Cn1ccc([C@@H](CC)[NH2+]C)c1 ZINC000091816976 180262685 /nfs/dbraw/zinc/26/26/85/180262685.db2.gz SKEORQBPUNHHRW-GXTWGEPZSA-N 1 0 265.401 2.463 10 0 CEAERO CCCNC(=O)Cn1ccc([C@@H](CC)[NH2+]CC)c1 ZINC000091817055 180263301 /nfs/dbraw/zinc/26/33/01/180263301.db2.gz YIEQLZNCGFKFJE-CYBMUJFWSA-N 1 0 251.374 2.075 10 0 CEAERO CCC[C@@H]([NH2+]C)c1ccn(CC(=O)NC(C)(C)C)c1 ZINC000091822175 180263926 /nfs/dbraw/zinc/26/39/26/180263926.db2.gz QVKZTMWPVSPYGK-CYBMUJFWSA-N 1 0 265.401 2.463 10 0 CEAERO CCC[C@@H]([NH2+]C)c1ccn(CC(=O)N(CC)CC)c1 ZINC000091821739 180264186 /nfs/dbraw/zinc/26/41/86/180264186.db2.gz REUCNKYNGSDDDQ-CQSZACIVSA-N 1 0 265.401 2.417 10 0 CEAERO CC[NH2+][C@H](c1ccn(CCS(=O)(=O)CC)c1)C(C)C ZINC000091827731 180264605 /nfs/dbraw/zinc/26/46/05/180264605.db2.gz ZJHDEEFMZITDGR-AWEZNQCLSA-N 1 0 286.441 2.229 10 0 CEAERO CC(C)Oc1cc(NCc2ccc(C[NH3+])cc2F)ncn1 ZINC000090786014 539786331 /nfs/dbraw/zinc/78/63/31/539786331.db2.gz DCHUAAZZXFOWCY-UHFFFAOYSA-N 1 0 290.342 2.474 10 0 CEAERO Cc1nn(C)c(CN(C)C2CCC([NH3+])CC2)c1Cl ZINC000091846790 180269905 /nfs/dbraw/zinc/26/99/05/180269905.db2.gz CTGGRNLXSGWZLD-UHFFFAOYSA-N 1 0 270.808 2.084 10 0 CEAERO CCN(C(=O)c1cccn1CC)C1CCC([NH3+])CC1 ZINC000091850469 180271694 /nfs/dbraw/zinc/27/16/94/180271694.db2.gz VUAFKUGOECWZDB-UHFFFAOYSA-N 1 0 263.385 2.240 10 0 CEAERO O=C(N1CCC[C@@H]1[C@@H]1CCC[NH2+]C1)N1CCCCCC1 ZINC000091971205 180294998 /nfs/dbraw/zinc/29/49/98/180294998.db2.gz HNPGSUYXDXKRCM-HUUCEWRRSA-N 1 0 279.428 2.446 10 0 CEAERO C[C@@H]1CCC[C@](C[NH3+])(N(C)C(=O)N2CCCCC2)C1 ZINC000091969094 180294472 /nfs/dbraw/zinc/29/44/72/180294472.db2.gz ABVSYPXOKCYRTO-HIFRSBDPSA-N 1 0 267.417 2.432 10 0 CEAERO CCCc1cc(N(C)C2CCC([NH2+]C)CC2)ncn1 ZINC000091870849 180277549 /nfs/dbraw/zinc/27/75/49/180277549.db2.gz FUEVIZKVJKJNEH-UHFFFAOYSA-N 1 0 262.401 2.396 10 0 CEAERO [NH3+]C[C@]1(C2(O)Cc3ccccc3C2)CCc2ccccc21 ZINC000091905352 180284155 /nfs/dbraw/zinc/28/41/55/180284155.db2.gz JYOVAEIYLGBGIR-GOSISDBHSA-N 1 0 279.383 2.359 10 0 CEAERO CC(C)(C)c1ccc([C@H](O)[C@@]2(C[NH3+])CCOC2)cc1 ZINC000091909667 180284634 /nfs/dbraw/zinc/28/46/34/180284634.db2.gz AANFXCADRPABTF-GOEBONIOSA-N 1 0 263.381 2.383 10 0 CEAERO [NH3+]C[C@]1([C@H](O)C2CCCC2)CCOc2ccccc21 ZINC000091913232 180285344 /nfs/dbraw/zinc/28/53/44/180285344.db2.gz HTIGCKWJGLPFBK-HZPDHXFCSA-N 1 0 261.365 2.217 10 0 CEAERO CC[C@@](O)(COC)[C@@]1(C[NH3+])CCCc2ccccc21 ZINC000091919633 180286709 /nfs/dbraw/zinc/28/67/09/180286709.db2.gz HDXOLGQRPXEZDI-HZPDHXFCSA-N 1 0 263.381 2.007 10 0 CEAERO CC[C@](O)(COC)[C@]1(C[NH3+])CCCc2ccccc21 ZINC000091919631 180286715 /nfs/dbraw/zinc/28/67/15/180286715.db2.gz HDXOLGQRPXEZDI-HOTGVXAUSA-N 1 0 263.381 2.007 10 0 CEAERO CN(C(=O)N1CCCCCC1)C1CCC([NH3+])CC1 ZINC000091970887 180295089 /nfs/dbraw/zinc/29/50/89/180295089.db2.gz GVKVSZNOJIRRNA-UHFFFAOYSA-N 1 0 253.390 2.184 10 0 CEAERO COC(OC)[C@@H](O)C1(C[NH3+])CCC(C(C)(C)C)CC1 ZINC000091925585 180287191 /nfs/dbraw/zinc/28/71/91/180287191.db2.gz VIZZKGMZJHYKCH-MQYJIDSJSA-N 1 0 273.417 2.148 10 0 CEAERO CCN1CCO[C@H](C[NH2+]CC(C)(C)c2ccccc2)C1 ZINC000092052216 180312757 /nfs/dbraw/zinc/31/27/57/180312757.db2.gz BMPFWYMZBGQMPI-MRXNPFEDSA-N 1 0 276.424 2.275 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)N2CCCCCC2)CC1 ZINC000091970890 180295173 /nfs/dbraw/zinc/29/51/73/180295173.db2.gz UVESOUUUHFUGJK-UHFFFAOYSA-N 1 0 267.417 2.445 10 0 CEAERO CCC[NH2+]C1CCN(C(=O)N2CCC(C)CC2)CC1 ZINC000091972053 180295460 /nfs/dbraw/zinc/29/54/60/180295460.db2.gz XRQJINNGYLKZBR-UHFFFAOYSA-N 1 0 267.417 2.302 10 0 CEAERO C[C@@H]1CCCN(C(=O)N(C)C2CCC([NH3+])CC2)C1 ZINC000091972077 180295542 /nfs/dbraw/zinc/29/55/42/180295542.db2.gz MBKBDQABAFOAOX-PNESKVBLSA-N 1 0 253.390 2.040 10 0 CEAERO C[C@@H]1CCC[C@@](C[NH3+])(NC(=O)N2CCCCCC2)C1 ZINC000091971951 180295564 /nfs/dbraw/zinc/29/55/64/180295564.db2.gz DOKPPIXGGALXJI-UKRRQHHQSA-N 1 0 267.417 2.480 10 0 CEAERO CC1CCN(C(=O)Nc2cnn(C3CC[NH2+]CC3)c2)CC1 ZINC000091991331 180299904 /nfs/dbraw/zinc/29/99/04/180299904.db2.gz WRXYVNAABLQNGF-UHFFFAOYSA-N 1 0 291.399 2.071 10 0 CEAERO Cc1ccc(OC[C@H]2Cc3ccccc3O2)c(C[NH3+])n1 ZINC000091994015 180300988 /nfs/dbraw/zinc/30/09/88/180300988.db2.gz IEDPGHGNNMTFMB-CYBMUJFWSA-N 1 0 270.332 2.231 10 0 CEAERO Cc1ccc(OCCc2ccc3c(c2)CCO3)c(C[NH3+])n1 ZINC000091993937 180301351 /nfs/dbraw/zinc/30/13/51/180301351.db2.gz WFAGYCJNIRDTAB-UHFFFAOYSA-N 1 0 284.359 2.405 10 0 CEAERO C[NH2+]Cc1nc(C)ccc1OCc1cnc(C)s1 ZINC000091994523 180301377 /nfs/dbraw/zinc/30/13/77/180301377.db2.gz SMJMRMZYJVRYPM-UHFFFAOYSA-N 1 0 263.366 2.453 10 0 CEAERO Cc1ccc(O[C@@H](C)C(=O)NC2CCCCC2)c(C[NH3+])n1 ZINC000091993724 180301545 /nfs/dbraw/zinc/30/15/45/180301545.db2.gz CEXHBKZVOPYVBW-LBPRGKRZSA-N 1 0 291.395 2.065 10 0 CEAERO CCC[NH2+]Cc1nc(C)ccc1O[C@H](C)COC ZINC000091995109 180302102 /nfs/dbraw/zinc/30/21/02/180302102.db2.gz LSQUDXLMPZWIPU-GFCCVEGCSA-N 1 0 252.358 2.303 10 0 CEAERO CCNC(=O)[C@H](C)Oc1ccc(C)nc1C[NH2+]CC(C)C ZINC000091996355 180302225 /nfs/dbraw/zinc/30/22/25/180302225.db2.gz TVPYPNQGZMINDL-ZDUSSCGKSA-N 1 0 293.411 2.039 10 0 CEAERO Cc1ccc(OCc2ncon2)c(C[NH2+]C(C)(C)C)n1 ZINC000091996117 180302411 /nfs/dbraw/zinc/30/24/11/180302411.db2.gz PRAOIIXMUIWOQS-UHFFFAOYSA-N 1 0 276.340 2.240 10 0 CEAERO Cc1ccc(O)c(C[NH2+][C@]2(CO)CCC[C@H](C)C2)n1 ZINC000091995320 180302452 /nfs/dbraw/zinc/30/24/52/180302452.db2.gz MDOFFPBSJLNLOH-XHDPSFHLSA-N 1 0 264.369 2.126 10 0 CEAERO Cc1ccc(OC[C@@H]2CCCCO2)c(C[C@@H](C)[NH3+])n1 ZINC000092000142 180303912 /nfs/dbraw/zinc/30/39/12/180303912.db2.gz XSGLHIOGMPMHDE-YPMHNXCESA-N 1 0 264.369 2.228 10 0 CEAERO C[C@@H]([NH3+])c1cccc(-n2nnc(-c3ccccc3)n2)c1 ZINC000092024013 180308715 /nfs/dbraw/zinc/30/87/15/180308715.db2.gz DFUXILPIZMEPFU-LLVKDONJSA-N 1 0 265.320 2.349 10 0 CEAERO CCC[NH2+][C@H](C=C(C)C)[C@H]1CN2CCC[C@@H]2CO1 ZINC000092128607 180328791 /nfs/dbraw/zinc/32/87/91/180328791.db2.gz KMBRHOGOBDLUDP-RBSFLKMASA-N 1 0 252.402 2.184 10 0 CEAERO c1cnnc(N2CCC[N@@H+](CC3CCCC3)CC2)c1 ZINC000105799904 186071824 /nfs/dbraw/zinc/07/18/24/186071824.db2.gz AJEBDTHYNUUMSG-UHFFFAOYSA-N 1 0 260.385 2.179 10 0 CEAERO CCOCc1ccccc1NC(=O)[C@@H](C)C[NH2+]C ZINC000092132833 180330634 /nfs/dbraw/zinc/33/06/34/180330634.db2.gz ASEVYEXONNTBPP-NSHDSACASA-N 1 0 250.342 2.017 10 0 CEAERO C[NH2+][C@H](Cc1nc(C(C)(C)OC)no1)C(C)(C)C ZINC000092141531 180334072 /nfs/dbraw/zinc/33/40/72/180334072.db2.gz CTODAUCNJIEWHG-SECBINFHSA-N 1 0 255.362 2.128 10 0 CEAERO C[C@@H](O)CCC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000092151314 180334918 /nfs/dbraw/zinc/33/49/18/180334918.db2.gz HFMYTVVRGQLLBG-OAHLLOKOSA-N 1 0 296.455 2.452 10 0 CEAERO COc1ccc(NC(=O)CC[NH+]2C[C@H](C)[C@@H](C)C2)c(N)c1 ZINC000092080440 180318152 /nfs/dbraw/zinc/31/81/52/180318152.db2.gz ZKMYWWYNWQGKHC-RYUDHWBXSA-N 1 0 291.395 2.194 10 0 CEAERO Cc1ccc(NC(=O)C[NH+]2C[C@H](C)[C@@H](C)C2)c(N)c1 ZINC000092081310 180319629 /nfs/dbraw/zinc/31/96/29/180319629.db2.gz OMLKLTLPGLMKIC-RYUDHWBXSA-N 1 0 261.369 2.104 10 0 CEAERO C[C@H]1C[N@H+](C[C@H](N)c2ccc3c(c2)OCCCO3)C[C@H]1C ZINC000092084801 180320266 /nfs/dbraw/zinc/32/02/66/180320266.db2.gz WFLZCNVSCMHQEH-GUTXKFCHSA-N 1 0 290.407 2.436 10 0 CEAERO C[NH2+]Cc1c(N2C[C@H](C)[C@@H](C)C2)nc2sccn12 ZINC000092086488 180320848 /nfs/dbraw/zinc/32/08/48/180320848.db2.gz IRHCMQCFKSYCPV-UWVGGRQHSA-N 1 0 264.398 2.207 10 0 CEAERO CCOC(=O)[C@](C[N@@H+]1C[C@H](C)[C@H](C)C1)(NC1CC1)C1CC1 ZINC000092087470 180321798 /nfs/dbraw/zinc/32/17/98/180321798.db2.gz VECRYKFSUXRYRN-IIYDPXPESA-N 1 0 294.439 2.038 10 0 CEAERO C[NH2+][C@H](C)c1cccc(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)c1 ZINC000092091232 180322286 /nfs/dbraw/zinc/32/22/86/180322286.db2.gz CRRCNUQTJSAJCD-FRRDWIJNSA-N 1 0 296.436 2.244 10 0 CEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)cc1 ZINC000092091419 180322610 /nfs/dbraw/zinc/32/26/10/180322610.db2.gz GSDVPBCXEJMUDI-STQMWFEESA-N 1 0 296.436 2.073 10 0 CEAERO CC1(C)Oc2ccc(NC(=O)[C@@H]3C=C[C@@H]([NH3+])C3)cc2O1 ZINC000092202483 180342745 /nfs/dbraw/zinc/34/27/45/180342745.db2.gz BMYDQKWYYKCNEA-NXEZZACHSA-N 1 0 274.320 2.036 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)Nc2cc(Cl)ccc2F)C1 ZINC000092201926 180342821 /nfs/dbraw/zinc/34/28/21/180342821.db2.gz ZWDOYGJJYADVBT-IONNQARKSA-N 1 0 254.692 2.321 10 0 CEAERO CC(C)C(=O)Nc1ccc(NC(=O)[C@H]2C=C[C@H]([NH3+])C2)cc1 ZINC000092202695 180343312 /nfs/dbraw/zinc/34/33/12/180343312.db2.gz HZUCUOVWHUUHBT-RYUDHWBXSA-N 1 0 287.363 2.123 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2cccc(OC(F)F)c2)C1 ZINC000092203046 180343455 /nfs/dbraw/zinc/34/34/55/180343455.db2.gz SUVNBJLPHRRXEQ-RKDXNWHRSA-N 1 0 268.263 2.130 10 0 CEAERO Cc1nc(-c2ccc(NC(=O)[C@H]3C=C[C@@H]([NH3+])C3)cc2)co1 ZINC000092203085 180343479 /nfs/dbraw/zinc/34/34/79/180343479.db2.gz VZOZBZVKABWAOX-QWHCGFSZSA-N 1 0 283.331 2.492 10 0 CEAERO CC[C@H](NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1)c1ccc(OC)cc1 ZINC000092203313 180343521 /nfs/dbraw/zinc/34/35/21/180343521.db2.gz DHKVANCEMBVYSN-NFAWXSAZSA-N 1 0 274.364 2.166 10 0 CEAERO CN(Cc1ccc(OC(F)F)cc1)C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092204386 180343711 /nfs/dbraw/zinc/34/37/11/180343711.db2.gz SGPXFFULVIOUAJ-VXGBXAGGSA-N 1 0 296.317 2.150 10 0 CEAERO CSc1ccc(CN(C)C(=O)[C@H]2C=C[C@H]([NH3+])C2)cc1 ZINC000092204427 180343880 /nfs/dbraw/zinc/34/38/80/180343880.db2.gz YALXEJWLLJSFEN-STQMWFEESA-N 1 0 276.405 2.270 10 0 CEAERO CN(Cc1ccc(Cl)s1)C(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092204489 180343963 /nfs/dbraw/zinc/34/39/63/180343963.db2.gz HMUYPWHUMQAKBE-DTWKUNHWSA-N 1 0 270.785 2.263 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)NCc2ccccc2C(F)(F)F)C1 ZINC000092207423 180344101 /nfs/dbraw/zinc/34/41/01/180344101.db2.gz PABCQQUBYNQMHP-ONGXEEELSA-N 1 0 284.281 2.225 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)N2CCC[C@@H]2C2CCCCC2)C1 ZINC000092205282 180344276 /nfs/dbraw/zinc/34/42/76/180344276.db2.gz BKEGWVWBDJDUOX-RBSFLKMASA-N 1 0 262.397 2.461 10 0 CEAERO CCCOC(=O)c1ccc(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)cc1 ZINC000092206634 180344358 /nfs/dbraw/zinc/34/43/58/180344358.db2.gz TYEKUXWJAQIWBH-OLZOCXBDSA-N 1 0 288.347 2.095 10 0 CEAERO CN(C(=O)[C@@H]1CSc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000092239451 180350665 /nfs/dbraw/zinc/35/06/65/180350665.db2.gz NWBZKUIHMZZDPR-WCQYABFASA-N 1 0 276.405 2.086 10 0 CEAERO C[C@@H](CN1CCOCC1)[NH2+]C[C@@H]1Cc2ccccc2S1 ZINC000092243291 180351389 /nfs/dbraw/zinc/35/13/89/180351389.db2.gz OBICJRLTQIWJQA-ZFWWWQNUSA-N 1 0 292.448 2.014 10 0 CEAERO Cn1c(C[NH3+])nnc1SC[C@@H]1Cc2ccccc2S1 ZINC000092262692 180355329 /nfs/dbraw/zinc/35/53/29/180355329.db2.gz YOCGICOBNZSIJH-JTQLQIEISA-N 1 0 292.433 2.083 10 0 CEAERO CN1C[C@H]([NH2+]C[C@H]2CSc3ccccc32)CCC1=O ZINC000092275677 180356172 /nfs/dbraw/zinc/35/61/72/180356172.db2.gz SUYHISMTMPOOOH-NWDGAFQWSA-N 1 0 276.405 2.086 10 0 CEAERO c1cnn(CC[NH2+]C[C@H]2CSc3ccccc32)c1 ZINC000092275063 180356262 /nfs/dbraw/zinc/35/62/62/180356262.db2.gz DMXWGJGGBAWVDP-LBPRGKRZSA-N 1 0 259.378 2.362 10 0 CEAERO COCCOCC[NH2+]C[C@H]1CSc2ccccc21 ZINC000092275301 180356712 /nfs/dbraw/zinc/35/67/12/180356712.db2.gz FXEPFBFWNMYTAC-LBPRGKRZSA-N 1 0 267.394 2.129 10 0 CEAERO CCc1nn(-c2ncccn2)c(CC)c1CC[NH2+]C(C)C ZINC000092321493 180362439 /nfs/dbraw/zinc/36/24/39/180362439.db2.gz FLGFGVSNEHMCPI-UHFFFAOYSA-N 1 0 287.411 2.328 10 0 CEAERO CC[C@@]1(C)C[C@H]([NH2+]Cc2c(C)nn(C)c2C)CCO1 ZINC000092325799 180362955 /nfs/dbraw/zinc/36/29/55/180362955.db2.gz GASOYCKLDJPNAI-HIFRSBDPSA-N 1 0 265.401 2.474 10 0 CEAERO Cc1noc(C)c1[C@@H](C)NC(=O)CC1([NH3+])CCCC1 ZINC000092330167 180363612 /nfs/dbraw/zinc/36/36/12/180363612.db2.gz NYGHOMUXNKDLSW-SECBINFHSA-N 1 0 265.357 2.130 10 0 CEAERO CCCN1C(=O)C[C@@H]([NH2+]Cc2ccc(C(C)C)cc2)C1=O ZINC000106050837 186100847 /nfs/dbraw/zinc/10/08/47/186100847.db2.gz HGJQNEPPKLCEKX-OAHLLOKOSA-N 1 0 288.391 2.437 10 0 CEAERO Cc1nn(C)c(C)c1C[NH2+]C[C@H]1Cc2cc(C)ccc2O1 ZINC000092331324 180364477 /nfs/dbraw/zinc/36/44/77/180364477.db2.gz PWAGWYCVPWHQJC-OAHLLOKOSA-N 1 0 285.391 2.439 10 0 CEAERO Cc1noc(C)c1CNC1=[NH+]C[C@@H](C2CC2)S1 ZINC000092341234 180365609 /nfs/dbraw/zinc/36/56/09/180365609.db2.gz ZAJAGKTVAXYMKQ-NSHDSACASA-N 1 0 251.355 2.262 10 0 CEAERO CCC(CC)N1C(=O)C[C@H]([NH2+]C[C@H]2CC=CCC2)C1=O ZINC000106257851 186105558 /nfs/dbraw/zinc/10/55/58/186105558.db2.gz YREJLWFKIXULPC-JSGCOSHPSA-N 1 0 278.396 2.248 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C)N1Cc1ccnc2ccccc12 ZINC000092349421 180367694 /nfs/dbraw/zinc/36/76/94/180367694.db2.gz CEOBXXNXRQZGPV-STQMWFEESA-N 1 0 255.365 2.417 10 0 CEAERO CCNc1cccc(CN2CC[C@@H]([NH+](CC)CC)C2)n1 ZINC000092370592 180369737 /nfs/dbraw/zinc/36/97/37/180369737.db2.gz LSBZJHOGGJFZLF-OAHLLOKOSA-N 1 0 276.428 2.430 10 0 CEAERO CCc1nc2ccccc2n1Cc1cccc(NN)[nH+]1 ZINC000092371069 180369951 /nfs/dbraw/zinc/36/99/51/180369951.db2.gz ILPRTZZAHVRGPR-UHFFFAOYSA-N 1 0 267.336 2.328 10 0 CEAERO NNc1cccc(CN2CCCc3ccccc3C2)[nH+]1 ZINC000092370315 180369961 /nfs/dbraw/zinc/36/99/61/180369961.db2.gz MYTOPLSFWOJNQP-UHFFFAOYSA-N 1 0 268.364 2.316 10 0 CEAERO C[C@H]1Cc2ccccc2N1Cc1cccc(NN)[nH+]1 ZINC000092370048 180369979 /nfs/dbraw/zinc/36/99/79/180369979.db2.gz XFSMRSFYEDUPND-NSHDSACASA-N 1 0 254.337 2.318 10 0 CEAERO CCOC(=O)CCC[N@@H+]1CCC[C@H](n2ccnc2CC)C1 ZINC000105897836 186085321 /nfs/dbraw/zinc/08/53/21/186085321.db2.gz VEOOILWFKDAMCY-AWEZNQCLSA-N 1 0 293.411 2.426 10 0 CEAERO CCc1nc(CC(F)(F)F)nc(CC)c1CC[NH3+] ZINC000092308339 180361021 /nfs/dbraw/zinc/36/10/21/180361021.db2.gz ZCZWCIGHUUTVBO-UHFFFAOYSA-N 1 0 261.291 2.207 10 0 CEAERO CCC[NH2+][C@@H]1c2cc(OC)ccc2CC[C@H]1S(C)(=O)=O ZINC000092388541 180374799 /nfs/dbraw/zinc/37/47/99/180374799.db2.gz DLKWWYDANKIQAM-HUUCEWRRSA-N 1 0 297.420 2.095 10 0 CEAERO CCC[NH2+][C@@]1(CC(N)=O)CCCc2ccc(OC)cc21 ZINC000092390496 180375129 /nfs/dbraw/zinc/37/51/29/180375129.db2.gz WGVCHKHHTSQLFH-MRXNPFEDSA-N 1 0 276.380 2.102 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH2+][C@@H](CO)C(C)C)CCO2 ZINC000092393266 180375820 /nfs/dbraw/zinc/37/58/20/180375820.db2.gz OIBNPQDQKHITAQ-KGLIPLIRSA-N 1 0 265.353 2.125 10 0 CEAERO CCC[C@@H](CC)[NH2+][C@H]1CC(=O)N(c2ccccc2)C1=O ZINC000106534153 186125675 /nfs/dbraw/zinc/12/56/75/186125675.db2.gz WEPXBROKKUFCKY-OCCSQVGLSA-N 1 0 274.364 2.487 10 0 CEAERO C[NH2+]C[C@@H]1CCCCN1Cc1cc(Cl)ccn1 ZINC000092417177 180381558 /nfs/dbraw/zinc/38/15/58/180381558.db2.gz FBFGVJTYLOEMAB-ZDUSSCGKSA-N 1 0 253.777 2.309 10 0 CEAERO CCCNc1cc[nH+]c(CN2C(=O)N[C@@](C)(CC)C2=O)c1 ZINC000092419608 180382172 /nfs/dbraw/zinc/38/21/72/180382172.db2.gz WLCOFBQNDZTSHJ-HNNXBMFYSA-N 1 0 290.367 2.124 10 0 CEAERO COc1cc(OC)c(-c2[nH+]c(C)n(C)c2N)cc1OC ZINC000106830875 186138005 /nfs/dbraw/zinc/13/80/05/186138005.db2.gz DMLZMJAPBDDLAY-UHFFFAOYSA-N 1 0 277.324 2.004 10 0 CEAERO CCOCCO[C@@H]1CCc2ccc(OC)cc2[C@@H]1[NH3+] ZINC000092386393 180373424 /nfs/dbraw/zinc/37/34/24/180373424.db2.gz QCUHETCOTWIWFH-CABCVRRESA-N 1 0 265.353 2.063 10 0 CEAERO CCOCCO[C@H]1CCc2ccc(OC)cc2[C@@H]1[NH3+] ZINC000092386395 180373514 /nfs/dbraw/zinc/37/35/14/180373514.db2.gz QCUHETCOTWIWFH-GJZGRUSLSA-N 1 0 265.353 2.063 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@@H](N1CCOCC1(C)C)CC2 ZINC000092385718 180374129 /nfs/dbraw/zinc/37/41/29/180374129.db2.gz MZWCHAJDXVIVIR-HOTGVXAUSA-N 1 0 290.407 2.121 10 0 CEAERO Cc1cccnc1CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106918062 186150783 /nfs/dbraw/zinc/15/07/83/186150783.db2.gz XVDZHBUNRKTTII-KRWDZBQOSA-N 1 0 297.402 2.179 10 0 CEAERO C[N@@H+]1CCCC[C@H]1CC[NH+](CC(=O)[O-])C(C)(C)C ZINC000092449331 180387082 /nfs/dbraw/zinc/38/70/82/180387082.db2.gz JDIJWTDGXQNUSW-LBPRGKRZSA-N 1 0 256.390 2.046 10 0 CEAERO OC1(C[NH2+][C@H]2CCSc3ccc(F)cc32)CCOCC1 ZINC000178634461 542250939 /nfs/dbraw/zinc/25/09/39/542250939.db2.gz IOWOPRIXMIIQKP-ZDUSSCGKSA-N 1 0 297.395 2.494 10 0 CEAERO CCCN1C(=O)C[C@@H]([NH2+][C@H]2CCCc3sccc32)C1=O ZINC000108291569 186210558 /nfs/dbraw/zinc/21/05/58/186210558.db2.gz UQWPTXNAIONRHB-NWDGAFQWSA-N 1 0 292.404 2.253 10 0 CEAERO CNC(=O)[C@H]1CCC[N@@H+]1C[C@@H]1CSc2ccccc21 ZINC000092661866 180425241 /nfs/dbraw/zinc/42/52/41/180425241.db2.gz PANCRYUDURHYSP-DGCLKSJQSA-N 1 0 276.405 2.086 10 0 CEAERO C[C@@H](c1ccc(F)cc1F)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000108644838 186225511 /nfs/dbraw/zinc/22/55/11/186225511.db2.gz LWHFTODETMYJLX-HBNTYKKESA-N 1 0 252.308 2.177 10 0 CEAERO CC[NH2+][C@@H]1CCCC[C@@H]1c1nc(C[C@@H]2CCCO2)no1 ZINC000109495779 186256793 /nfs/dbraw/zinc/25/67/93/186256793.db2.gz PUNAOSQKWSVFAL-RWMBFGLXSA-N 1 0 279.384 2.427 10 0 CEAERO C[NH2+][C@H]1CCCC[C@H]1c1nc(-c2ccccn2)no1 ZINC000109497403 186256848 /nfs/dbraw/zinc/25/68/48/186256848.db2.gz RVFWSSSNWCQOCM-MNOVXSKESA-N 1 0 258.325 2.377 10 0 CEAERO C[NH2+][C@H](C)CCc1nc(-c2cccc(OC)c2)no1 ZINC000109504093 186257250 /nfs/dbraw/zinc/25/72/50/186257250.db2.gz FGZGFNFXBWJBFV-SNVBAGLBSA-N 1 0 261.325 2.286 10 0 CEAERO CCC[NH2+][C@H](COC)Cc1nc(-c2ccc(F)cc2)no1 ZINC000109502696 186257308 /nfs/dbraw/zinc/25/73/08/186257308.db2.gz NFDVFBCUCVGHKE-ZDUSSCGKSA-N 1 0 293.342 2.433 10 0 CEAERO COc1cccc(-c2noc([C@H]3CCC[C@@H]3[NH3+])n2)c1 ZINC000109503919 186257326 /nfs/dbraw/zinc/25/73/26/186257326.db2.gz MUXVDHBKRABIFA-RYUDHWBXSA-N 1 0 259.309 2.340 10 0 CEAERO CC[C@H](Cc1nc(Cc2cccs2)no1)[NH2+]C ZINC000109510360 186258214 /nfs/dbraw/zinc/25/82/14/186258214.db2.gz XNZRBABERJDCBK-SECBINFHSA-N 1 0 251.355 2.262 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+][C@@H]2CCCOC2)c1C ZINC000109546069 186261802 /nfs/dbraw/zinc/26/18/02/186261802.db2.gz SBDIPYXUQOYJHJ-GXFFZTMASA-N 1 0 251.374 2.349 10 0 CEAERO CC[NH2+]C1CCN(Cc2ccc(OC)cc2OC)CC1 ZINC000109554361 186263003 /nfs/dbraw/zinc/26/30/03/186263003.db2.gz FGBDFNYWJPRFNT-UHFFFAOYSA-N 1 0 278.396 2.278 10 0 CEAERO CCC[NH2+][C@@H]1C(=O)Nc2cc(-n3cc(C)cn3)ccc21 ZINC000109572920 186263407 /nfs/dbraw/zinc/26/34/07/186263407.db2.gz ZCCHLISRTRTTPS-AWEZNQCLSA-N 1 0 270.336 2.174 10 0 CEAERO C[C@@H](O)c1ccc(N2CC[C@@H]([NH+](C)C)C2)c(F)c1 ZINC000109584726 186263942 /nfs/dbraw/zinc/26/39/42/186263942.db2.gz FPSBWYOKUYTPRB-ZYHUDNBSSA-N 1 0 252.333 2.019 10 0 CEAERO CC[NH2+][C@@H]1C(=O)Nc2cc(OCC3CCOCC3)ccc21 ZINC000109576774 186264000 /nfs/dbraw/zinc/26/40/00/186264000.db2.gz IKGQYYHWEJSAOP-HNNXBMFYSA-N 1 0 290.363 2.095 10 0 CEAERO CCOC(=O)CN(Cc1ccc(C[NH3+])cc1F)C(C)C ZINC000109604290 186268176 /nfs/dbraw/zinc/26/81/76/186268176.db2.gz KDMFXNVLRPFELT-UHFFFAOYSA-N 1 0 282.359 2.058 10 0 CEAERO Cn1cnnc1CC[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000109422015 186251436 /nfs/dbraw/zinc/25/14/36/186251436.db2.gz DCWAOPORXUOBNI-UHFFFAOYSA-N 1 0 274.343 2.033 10 0 CEAERO C[C@H]([NH2+]CCc1nncn1C)c1nc2ccccc2s1 ZINC000109421141 186251663 /nfs/dbraw/zinc/25/16/63/186251663.db2.gz IIZRCOQPQVCDTQ-JTQLQIEISA-N 1 0 287.392 2.318 10 0 CEAERO Cn1cnnc1CC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000109422803 186252006 /nfs/dbraw/zinc/25/20/06/186252006.db2.gz JHMVPMXZHBYVND-HNNXBMFYSA-N 1 0 256.353 2.099 10 0 CEAERO c1ccc2c(c1)OCc1sc(CN3CC[NH2+]CC3)nc1-2 ZINC000109432357 186252427 /nfs/dbraw/zinc/25/24/27/186252427.db2.gz LFXNCUZSNLAXQJ-UHFFFAOYSA-N 1 0 287.388 2.108 10 0 CEAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CCCS1 ZINC000130689972 365979667 /nfs/dbraw/zinc/97/96/67/365979667.db2.gz RYCCZWMTJGADGB-CABCVRRESA-N 1 0 292.448 2.171 10 0 CEAERO CCC[C@@H](C(N)=S)[NH+]1CCN(C(=O)CCC(C)C)CC1 ZINC000109464265 186254161 /nfs/dbraw/zinc/25/41/61/186254161.db2.gz FDVJYKUFUQUSAP-ZDUSSCGKSA-N 1 0 299.484 2.022 10 0 CEAERO Cc1ccc(F)c(-c2nc([C@H](C)N3CC[NH2+]CC3)no2)c1 ZINC000109473592 186254852 /nfs/dbraw/zinc/25/48/52/186254852.db2.gz XHGWFVHYXJPVPF-NSHDSACASA-N 1 0 290.342 2.150 10 0 CEAERO CC[C@H](c1noc(-c2sccc2C)n1)N1CC[NH2+]CC1 ZINC000109474696 186255062 /nfs/dbraw/zinc/25/50/62/186255062.db2.gz XFHPWPKPIOLCNQ-LLVKDONJSA-N 1 0 292.408 2.463 10 0 CEAERO C[C@H](c1ncc(-c2ccccc2)cn1)N1CC[NH2+]CC1 ZINC000109475625 186255149 /nfs/dbraw/zinc/25/51/49/186255149.db2.gz KJVSKDXEKRIYDF-CYBMUJFWSA-N 1 0 268.364 2.110 10 0 CEAERO CC[NH+](CC)[C@H]1CCN(c2ccccc2C(N)=S)C1 ZINC000110278382 186289524 /nfs/dbraw/zinc/28/95/24/186289524.db2.gz GBBQHOSAIYTROL-LBPRGKRZSA-N 1 0 277.437 2.241 10 0 CEAERO CCc1nc(-c2cccc(OC)c2)[nH+]c(NN)c1C ZINC000110468516 186298171 /nfs/dbraw/zinc/29/81/71/186298171.db2.gz OVCBKMKRJBJVOX-UHFFFAOYSA-N 1 0 258.325 2.309 10 0 CEAERO Cc1cccc(NC(=O)CN2[C@@H](C[NH3+])CCC[C@@H]2C)c1 ZINC000110480830 186298711 /nfs/dbraw/zinc/29/87/11/186298711.db2.gz BUKSSTKFQLLHES-DZGCQCFKSA-N 1 0 275.396 2.135 10 0 CEAERO CC[C@H]([NH3+])[C@@H](O[C@@H]1CCOC1)c1ccccc1OC ZINC000110525733 186300960 /nfs/dbraw/zinc/30/09/60/186300960.db2.gz NVBRKAQTKUFLGT-ZLDLUXBVSA-N 1 0 265.353 2.279 10 0 CEAERO C[NH2+]Cc1oc2ccccc2c1CO[C@H]1CCOC1 ZINC000110532761 186301631 /nfs/dbraw/zinc/30/16/31/186301631.db2.gz KENKVYQJGIQIOP-NSHDSACASA-N 1 0 261.321 2.458 10 0 CEAERO CC[NH2+]C[C@H](O[C@@H]1CCOC1)c1cccc(F)c1 ZINC000110529496 186302016 /nfs/dbraw/zinc/30/20/16/186302016.db2.gz HZRHVRDVBZDJEJ-KGLIPLIRSA-N 1 0 253.317 2.282 10 0 CEAERO CCOc1cccc(N(CCC[NH3+])CC(C)C)n1 ZINC000110541752 186302361 /nfs/dbraw/zinc/30/23/61/186302361.db2.gz PZZKMKNPPIVKPQ-UHFFFAOYSA-N 1 0 251.374 2.292 10 0 CEAERO C[C@H]1CCCN(C(=O)Cc2ccc(C[NH3+])cc2)[C@H]1C ZINC000110613883 186305317 /nfs/dbraw/zinc/30/53/17/186305317.db2.gz UQLUKPQTMFAOEZ-STQMWFEESA-N 1 0 260.381 2.335 10 0 CEAERO COc1cc(N2CC[C@@H]([NH+]3CCCC3)C2)c(N)cc1F ZINC000110628020 186306595 /nfs/dbraw/zinc/30/65/95/186306595.db2.gz JWAYZFIUVLOJMK-LLVKDONJSA-N 1 0 279.359 2.091 10 0 CEAERO CCCn1cccc1C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000110646578 186308765 /nfs/dbraw/zinc/30/87/65/186308765.db2.gz MBQJCOGSLHRNNH-LBPRGKRZSA-N 1 0 263.385 2.098 10 0 CEAERO C[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2C[NH3+])CC1 ZINC000110809001 186326311 /nfs/dbraw/zinc/32/63/11/186326311.db2.gz VLVPIAOMTOCDNJ-CYBMUJFWSA-N 1 0 296.436 2.097 10 0 CEAERO CCC[C@@]1(C(=O)N2CCC[C@H](C)CC2)CC[NH2+]C1 ZINC000110814535 186326496 /nfs/dbraw/zinc/32/64/96/186326496.db2.gz SSQVYCYEUPKIPZ-DZGCQCFKSA-N 1 0 252.402 2.415 10 0 CEAERO CN(CCSc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000110929517 186333166 /nfs/dbraw/zinc/33/31/66/186333166.db2.gz RPWXPFFYFSOGOU-ZDUSSCGKSA-N 1 0 250.411 2.463 10 0 CEAERO C[C@@H](Oc1cccc(Cl)c1)C(=O)N(C)[C@@H]1CCC[NH2+]C1 ZINC000110926845 186333668 /nfs/dbraw/zinc/33/36/68/186333668.db2.gz HDQPKNVKLNCXRW-DGCLKSJQSA-N 1 0 296.798 2.318 10 0 CEAERO CCCS(=O)(=O)c1ccc(N(C)[C@H]2CCC[NH2+]C2)cc1 ZINC000110932971 186333673 /nfs/dbraw/zinc/33/36/73/186333673.db2.gz NKUAKELKQXDZIH-AWEZNQCLSA-N 1 0 296.436 2.059 10 0 CEAERO CC(C)c1cccc(NC(=O)CN(C)[C@H]2CCC[NH2+]C2)c1 ZINC000110930842 186333724 /nfs/dbraw/zinc/33/37/24/186333724.db2.gz HQNVDGBEBLJHGW-INIZCTEOSA-N 1 0 289.423 2.432 10 0 CEAERO CN(Cc1nc(-c2ccc(F)cc2)no1)[C@H]1CCC[NH2+]C1 ZINC000110931998 186333897 /nfs/dbraw/zinc/33/38/97/186333897.db2.gz AFTLRUIMSVTWLM-ZDUSSCGKSA-N 1 0 290.342 2.060 10 0 CEAERO CN(c1ncccc1C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000110933094 186333958 /nfs/dbraw/zinc/33/39/58/186333958.db2.gz YNBISTFNEDVZAG-VIFPVBQESA-N 1 0 259.275 2.289 10 0 CEAERO Cc1cccc(-c2nnc(CN(C)[C@H]3CCC[NH2+]C3)o2)c1 ZINC000110928771 186334023 /nfs/dbraw/zinc/33/40/23/186334023.db2.gz SBXSMPWOCXHEHQ-AWEZNQCLSA-N 1 0 286.379 2.229 10 0 CEAERO CCN([C@H]1CCC[NH2+]C1)S(=O)(=O)c1cc(C)cc(C)c1 ZINC000110941403 186334576 /nfs/dbraw/zinc/33/45/76/186334576.db2.gz RRONGQMDJMQPHE-AWEZNQCLSA-N 1 0 296.436 2.066 10 0 CEAERO CCc1nc(CN(CC)[C@@H]2CCC[NH2+]C2)cs1 ZINC000110943630 186335767 /nfs/dbraw/zinc/33/57/67/186335767.db2.gz CHBVBXHSYMZKAI-GFCCVEGCSA-N 1 0 253.415 2.279 10 0 CEAERO CCN(Cc1cc(F)ccc1OC)[C@@H]1CCC[NH2+]C1 ZINC000110943846 186335787 /nfs/dbraw/zinc/33/57/87/186335787.db2.gz YBCYHWZINHXHCP-CQSZACIVSA-N 1 0 266.360 2.408 10 0 CEAERO CCN(c1cc2ccccc2c(=O)[nH]1)[C@H]1CCC[NH2+]C1 ZINC000110947198 186335937 /nfs/dbraw/zinc/33/59/37/186335937.db2.gz NUGCDCBBZOBGPX-ZDUSSCGKSA-N 1 0 271.364 2.106 10 0 CEAERO Cc1ccc([C@@H](C)[NH3+])c(OCC(=O)OC(C)C)c1 ZINC000110957779 186336248 /nfs/dbraw/zinc/33/62/48/186336248.db2.gz FSLQZUGBCONGGT-LLVKDONJSA-N 1 0 251.326 2.345 10 0 CEAERO CCCNC(=O)[C@H](C)Oc1cc(C)ccc1[C@@H](C)[NH3+] ZINC000110957679 186337062 /nfs/dbraw/zinc/33/70/62/186337062.db2.gz GWTPNLJULPXELU-NEPJUHHUSA-N 1 0 264.369 2.308 10 0 CEAERO CSc1ccccc1OC[C@@H]1CC[C@@H](C[NH3+])O1 ZINC000110984746 186339578 /nfs/dbraw/zinc/33/95/78/186339578.db2.gz XENCFTSSWTXPRN-QWRGUYRKSA-N 1 0 253.367 2.294 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccc(C)s1)N1CCNC(=O)C1(C)C ZINC000110653411 186311345 /nfs/dbraw/zinc/31/13/45/186311345.db2.gz NGYZCYNASDARJD-AAEUAGOBSA-N 1 0 295.452 2.045 10 0 CEAERO CCCNc1cc(C(=O)N2CC[N@H+](C)[C@H](CC)C2)ccn1 ZINC000110696907 186314970 /nfs/dbraw/zinc/31/49/70/186314970.db2.gz GYAZUJDCHFVROB-CQSZACIVSA-N 1 0 290.411 2.070 10 0 CEAERO CC[C@H]1CN(Cc2ccnc(Cl)c2)CC[N@@H+]1C ZINC000110717627 186316629 /nfs/dbraw/zinc/31/66/29/186316629.db2.gz ARCVLILEIKJADT-LBPRGKRZSA-N 1 0 253.777 2.261 10 0 CEAERO CCOC(CC[N@@H+]1CCC[C@H]1CCCO)OCC ZINC000110785918 186324114 /nfs/dbraw/zinc/32/41/14/186324114.db2.gz XMMAJSAMQTUCIQ-ZDUSSCGKSA-N 1 0 259.390 2.013 10 0 CEAERO Cc1nc(C[NH3+])sc1-c1nnc(C)n1C(C)C ZINC000110791182 186324760 /nfs/dbraw/zinc/32/47/60/186324760.db2.gz BDUXKOOSACIRPE-UHFFFAOYSA-N 1 0 251.359 2.058 10 0 CEAERO CCOC(CC[N@@H+]1C[C@H](C)OC[C@@H]1CC)OCC ZINC000110785174 186324800 /nfs/dbraw/zinc/32/48/00/186324800.db2.gz FWWCMPFKHQBLKW-STQMWFEESA-N 1 0 259.390 2.275 10 0 CEAERO Cc1ccccc1[C@H](SCCS(C)(=O)=O)[C@@H](C)[NH3+] ZINC000111004182 186341665 /nfs/dbraw/zinc/34/16/65/186341665.db2.gz RADCNPBDYZNHKW-DGCLKSJQSA-N 1 0 287.450 2.161 10 0 CEAERO CCCOc1cc(NCC[N@H+](C)CCOC)ccc1N ZINC000111055803 186349664 /nfs/dbraw/zinc/34/96/64/186349664.db2.gz MMPNUTSRFPJZBN-UHFFFAOYSA-N 1 0 281.400 2.048 10 0 CEAERO C[C@@H](C[NH+]1CCCC1)Nc1ccc(F)cc1C(N)=S ZINC000111031013 186347314 /nfs/dbraw/zinc/34/73/14/186347314.db2.gz FGZDGUFVWCSGDT-JTQLQIEISA-N 1 0 281.400 2.356 10 0 CEAERO CCC(CC)N1C(=O)C[C@@H](Nc2cc[nH+]cc2C)C1=O ZINC000111042845 186347546 /nfs/dbraw/zinc/34/75/46/186347546.db2.gz HWCCUKGGNQBKCY-CYBMUJFWSA-N 1 0 275.352 2.118 10 0 CEAERO C[C@@H]1CCC[C@](CN)([N@H+](C)C[C@@H]2CCCOC2)C1 ZINC000111158747 186361685 /nfs/dbraw/zinc/36/16/85/186361685.db2.gz OWKZUWACOADUPB-ILXRZTDVSA-N 1 0 254.418 2.252 10 0 CEAERO CC(C)CC[C@@](C)(CN)[N@H+](C)CC1CCOCC1 ZINC000111159532 186363086 /nfs/dbraw/zinc/36/30/86/186363086.db2.gz GSZIBRXUOKTHMW-HNNXBMFYSA-N 1 0 256.434 2.498 10 0 CEAERO CCCOCCOC(=O)C1(CCC)CC[NH2+]CC1 ZINC000111105907 186352439 /nfs/dbraw/zinc/35/24/39/186352439.db2.gz XTGGIDZJTHDSSC-UHFFFAOYSA-N 1 0 257.374 2.126 10 0 CEAERO CCCOCCO[C@@H](c1ccccn1)[C@@H]([NH3+])CC ZINC000111105610 186352748 /nfs/dbraw/zinc/35/27/48/186352748.db2.gz VBIDQILICGWRFW-GXTWGEPZSA-N 1 0 252.358 2.303 10 0 CEAERO CCOCCN(CC)[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000111116611 186353484 /nfs/dbraw/zinc/35/34/84/186353484.db2.gz VKQUWXOWVRTRMK-HIFRSBDPSA-N 1 0 250.386 2.433 10 0 CEAERO CCCOCCOC[C@@H]([NH3+])c1cc(C)ccc1OC ZINC000111108549 186353724 /nfs/dbraw/zinc/35/37/24/186353724.db2.gz ZDZAHLMIPNGEOH-CQSZACIVSA-N 1 0 267.369 2.447 10 0 CEAERO CCOCC[N@H+](CC)[C@H](C)C(=O)Nc1ccc(N)cc1C ZINC000111116577 186354024 /nfs/dbraw/zinc/35/40/24/186354024.db2.gz PXDXGGIODLGEIY-CYBMUJFWSA-N 1 0 293.411 2.263 10 0 CEAERO CCNc1ccc(C[N@H+](CC)CCOCC)cn1 ZINC000111122335 186354256 /nfs/dbraw/zinc/35/42/56/186354256.db2.gz SFIROYGLPBVBKW-UHFFFAOYSA-N 1 0 251.374 2.372 10 0 CEAERO CCOCCN(CC)C[C@@H]([NH3+])c1ccc(OC)cc1 ZINC000111118555 186354712 /nfs/dbraw/zinc/35/47/12/186354712.db2.gz KLUBEXYPHGMFCD-OAHLLOKOSA-N 1 0 266.385 2.053 10 0 CEAERO C[NH2+][C@@H](CN(C)CC1CCOCC1)c1ccc(OC)cc1 ZINC000111161811 186364456 /nfs/dbraw/zinc/36/44/56/186364456.db2.gz TYKJOGZQUGEAEL-KRWDZBQOSA-N 1 0 292.423 2.314 10 0 CEAERO Cc1nc(N(C)C[C@@H]2CCCOC2)sc1[C@@H](C)[NH3+] ZINC000111177013 186364889 /nfs/dbraw/zinc/36/48/89/186364889.db2.gz LJBJCROVKCWJIS-KOLCDFICSA-N 1 0 269.414 2.334 10 0 CEAERO C[NH2+]Cc1sc(N(C)CC2CCOCC2)nc1C ZINC000111177527 186365640 /nfs/dbraw/zinc/36/56/40/186365640.db2.gz FMTHCDKTBLECEG-UHFFFAOYSA-N 1 0 269.414 2.034 10 0 CEAERO C[C@H]1CC[C@@H](CNC(=O)[C@@H]2CCOc3ccccc32)C[NH2+]1 ZINC000111186412 186367075 /nfs/dbraw/zinc/36/70/75/186367075.db2.gz QPFLRRXBHRNHPA-GZBFAFLISA-N 1 0 288.391 2.057 10 0 CEAERO CN(C)c1nnc(Sc2ccc(C(N)=[NH2+])cc2)s1 ZINC000111315955 186396264 /nfs/dbraw/zinc/39/62/64/186396264.db2.gz OXWJABPBSMQYGH-UHFFFAOYSA-N 1 0 279.394 2.039 10 0 CEAERO CCc1ccc(N(C)[C@H](C[NH3+])[C@@H]2CCCOC2)cc1 ZINC000111321089 186396547 /nfs/dbraw/zinc/39/65/47/186396547.db2.gz XFMMXGMIDRDDAN-GDBMZVCRSA-N 1 0 262.397 2.439 10 0 CEAERO CCN(Cc1ccccc1)[C@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111320655 186397412 /nfs/dbraw/zinc/39/74/12/186397412.db2.gz STXAJICJQGBPRB-HZPDHXFCSA-N 1 0 262.397 2.262 10 0 CEAERO CCCN(CC(=O)N1[C@H](C)CCC[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000111237818 186373560 /nfs/dbraw/zinc/37/35/60/186373560.db2.gz VLYDXAOFMHHXSM-OWCLPIDISA-N 1 0 295.471 2.240 10 0 CEAERO Cc1cc2ncc(C[NH2+]C[C@@H]3Cc4ccccc43)cn2n1 ZINC000111235333 186373899 /nfs/dbraw/zinc/37/38/99/186373899.db2.gz DGTUXPXPVSSYEG-HNNXBMFYSA-N 1 0 278.359 2.467 10 0 CEAERO O=C(OCc1ccccc1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111241164 186375217 /nfs/dbraw/zinc/37/52/17/186375217.db2.gz QOLXOWWWSYGIEC-LBPRGKRZSA-N 1 0 273.254 2.272 10 0 CEAERO C[C@@H](NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)c1ccsc1 ZINC000111247099 186376059 /nfs/dbraw/zinc/37/60/59/186376059.db2.gz RPNUHXKXUUCTQZ-LDYMZIIASA-N 1 0 292.326 2.467 10 0 CEAERO Cc1ccc2nc(NC(=O)[C@@H]3C[NH2+]C[C@H]3C)sc2c1 ZINC000111262946 186380391 /nfs/dbraw/zinc/38/03/91/186380391.db2.gz XXQBONKUDDTLPR-NXEZZACHSA-N 1 0 275.377 2.399 10 0 CEAERO CCOc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@@H]2C)c(C)c1 ZINC000111267714 186382637 /nfs/dbraw/zinc/38/26/37/186382637.db2.gz IJEQKQPPYZZXQJ-WCQYABFASA-N 1 0 262.353 2.188 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCc2sccc2[C@@H]1C ZINC000111270165 186383956 /nfs/dbraw/zinc/38/39/56/186383956.db2.gz XLPIQGHMTJNUBS-NHCYSSNCSA-N 1 0 264.394 2.049 10 0 CEAERO C[C@H](NC(=O)[C@@H]1C[NH2+]C[C@@H]1C)c1cccc(Cl)c1 ZINC000111270145 186384167 /nfs/dbraw/zinc/38/41/67/186384167.db2.gz FAFIEZGFTFFIBL-OUJBWJOFSA-N 1 0 266.772 2.373 10 0 CEAERO COc1ccc([C@H](NC(=O)[C@@H]2C[NH2+]C[C@@H]2C)C2CC2)cc1 ZINC000111271599 186384181 /nfs/dbraw/zinc/38/41/81/186384181.db2.gz LSQCLMNFEPAQIP-IUIKQTSFSA-N 1 0 288.391 2.118 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000111268705 186384349 /nfs/dbraw/zinc/38/43/49/186384349.db2.gz VCUIXMIAEYGIIF-NHYWBVRUSA-N 1 0 276.355 2.172 10 0 CEAERO C[C@H](NC(=O)[C@@H]1C[NH2+]C[C@@H]1C)c1ccccc1Cl ZINC000111271511 186384364 /nfs/dbraw/zinc/38/43/64/186384364.db2.gz UKCXSIMUVYQQTE-JBLDHEPKSA-N 1 0 266.772 2.373 10 0 CEAERO CCCC1CCC(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000111271886 186386110 /nfs/dbraw/zinc/38/61/10/186386110.db2.gz CSUDMSFISRAUJX-BLYZHGLHSA-N 1 0 252.402 2.317 10 0 CEAERO C[C@H]1CCC[C@@H](N(C)C(=O)c2ccc(C[NH3+])cn2)C1 ZINC000111281757 186387959 /nfs/dbraw/zinc/38/79/59/186387959.db2.gz DUJCWYDPAZAKRN-WCQYABFASA-N 1 0 261.369 2.191 10 0 CEAERO Cc1nn(C)c(N2CCCc3ccccc3C2)c1CC[NH3+] ZINC000111481931 186422401 /nfs/dbraw/zinc/42/24/01/186422401.db2.gz WORCBMACKZQOGN-UHFFFAOYSA-N 1 0 284.407 2.183 10 0 CEAERO CCOCCN(CC)c1nc2ccccn2c1C[C@@H](C)[NH3+] ZINC000111497209 186424315 /nfs/dbraw/zinc/42/43/15/186424315.db2.gz BWDHFGYUSWTUIY-CYBMUJFWSA-N 1 0 290.411 2.087 10 0 CEAERO CC[C@H]([NH3+])Cc1ccc(N(CCOC)CCOC)cc1 ZINC000111509256 186424524 /nfs/dbraw/zinc/42/45/24/186424524.db2.gz VTZKMPLQSAWWMZ-HNNXBMFYSA-N 1 0 280.412 2.066 10 0 CEAERO C[C@H]([NH3+])Cc1cc(F)ccc1N(C)Cc1nccn1C ZINC000111500216 186425070 /nfs/dbraw/zinc/42/50/70/186425070.db2.gz CZZLOUZJFVFBQQ-NSHDSACASA-N 1 0 276.359 2.085 10 0 CEAERO Cc1nn(C)c(N(C)[C@H](C)C(C)(C)C)c1C[C@@H](C)[NH3+] ZINC000111501865 186425436 /nfs/dbraw/zinc/42/54/36/186425436.db2.gz KSPPASYTOSXHKE-ZYHUDNBSSA-N 1 0 266.433 2.489 10 0 CEAERO CCCCOC(=O)CN1CCC[C@@H](C[NH2+]CCC)C1 ZINC000111698788 186445935 /nfs/dbraw/zinc/44/59/35/186445935.db2.gz QDVQCGKRLMDNEJ-AWEZNQCLSA-N 1 0 270.417 2.041 10 0 CEAERO CC(C)(C)NC(=O)CN1CCCC[C@H]1C[NH2+]C(C)(C)C ZINC000111704290 186447423 /nfs/dbraw/zinc/44/74/23/186447423.db2.gz XZYCXTNROFAPME-ZDUSSCGKSA-N 1 0 283.460 2.144 10 0 CEAERO CCC[NH2+][C@H](C)[C@H]1CCCCN1[C@@H](C)C(=O)N1CCCC1 ZINC000111712402 186450606 /nfs/dbraw/zinc/45/06/06/186450606.db2.gz JQZRCRPNVOKADH-OWCLPIDISA-N 1 0 295.471 2.240 10 0 CEAERO O=C(NCCOC1CC[NH2+]CC1)Nc1ccc(Cl)cc1 ZINC000111789457 186457186 /nfs/dbraw/zinc/45/71/86/186457186.db2.gz CGVLVGXZGGHIOG-UHFFFAOYSA-N 1 0 297.786 2.230 10 0 CEAERO CCC(CC)N1C(=O)C[C@H]([NH2+][C@H](C)C2CCCC2)C1=O ZINC000112254705 186477799 /nfs/dbraw/zinc/47/77/99/186477799.db2.gz FEJDACIDRQVTEI-RISCZKNCSA-N 1 0 280.412 2.471 10 0 CEAERO Cc1nc(CN2C[C@@H]3CCCC[N@H+]3C[C@H]2C)[nH]c1C ZINC000628180235 350993692 /nfs/dbraw/zinc/99/36/92/350993692.db2.gz HHADIHGZJMYIJZ-RISCZKNCSA-N 1 0 262.401 2.085 10 0 CEAERO CN1CC[C@@H]([NH3+])[C@@H]1c1cc(Br)cs1 ZINC000069798779 363001266 /nfs/dbraw/zinc/00/12/66/363001266.db2.gz LXRMFIRUVJRACC-VXNVDRBHSA-N 1 0 261.188 2.215 10 0 CEAERO CC[N@H+](C[C@@H](O)COCc1ccccc1)CC1CC1 ZINC000070015502 363020197 /nfs/dbraw/zinc/02/01/97/363020197.db2.gz IQILHARFPJUQCD-MRXNPFEDSA-N 1 0 263.381 2.296 10 0 CEAERO CC(C)Oc1cc(N2CC[C@H]([NH+](C)C)C2)ccc1N ZINC000117501726 186751547 /nfs/dbraw/zinc/75/15/47/186751547.db2.gz GXJUTZXVOUKJMC-ZDUSSCGKSA-N 1 0 263.385 2.196 10 0 CEAERO NC(=O)c1ccc(C[NH2+][C@@H]2COc3ccccc32)cc1 ZINC000070070173 363026064 /nfs/dbraw/zinc/02/60/64/363026064.db2.gz SJWSOWLBMVLLTO-CQSZACIVSA-N 1 0 268.316 2.009 10 0 CEAERO CC(C)CC[C@@H](C)[NH2+]C[C@H](O)COCCOC(C)C ZINC000070185057 363049805 /nfs/dbraw/zinc/04/98/05/363049805.db2.gz QMQVYETWBQGJMF-CABCVRRESA-N 1 0 275.433 2.203 10 0 CEAERO CSCC[C@@H](C)NC(=O)C(C)(C)[C@@H]1CCC[NH2+]C1 ZINC000119875481 186858392 /nfs/dbraw/zinc/85/83/92/186858392.db2.gz ZWELIFLPPGRCHM-VXGBXAGGSA-N 1 0 272.458 2.270 10 0 CEAERO C[C@H]1CN(C(=O)C2CCC3(CC3)CC2)C[C@H]1C[NH3+] ZINC000630090974 351615280 /nfs/dbraw/zinc/61/52/80/351615280.db2.gz DMMHYWQIYGXPAH-WCQYABFASA-N 1 0 250.386 2.010 10 0 CEAERO CN(Cc1cccnc1)C(=O)C(C)(C)[C@H]1CCC[NH2+]C1 ZINC000120272567 186888688 /nfs/dbraw/zinc/88/86/88/186888688.db2.gz BZVKXLIMPAVEEZ-AWEZNQCLSA-N 1 0 275.396 2.066 10 0 CEAERO CCC[C@H](C(=O)NCC1(CCOCC)CC1)[NH+](C)C ZINC000120289128 186889982 /nfs/dbraw/zinc/88/99/82/186889982.db2.gz ZICAVTWWWYYSPK-CYBMUJFWSA-N 1 0 270.417 2.040 10 0 CEAERO CCc1cc(N2CC[C@@H]([NH3+])C2)nc(-c2ccc(F)cc2)n1 ZINC000070455944 363084670 /nfs/dbraw/zinc/08/46/70/363084670.db2.gz XOYUIWQQNYEFRZ-CYBMUJFWSA-N 1 0 286.354 2.383 10 0 CEAERO Cc1cc(N2CC[C@H]([NH3+])C2)nc(-c2ccccc2F)n1 ZINC000070455829 363085201 /nfs/dbraw/zinc/08/52/01/363085201.db2.gz LTTLJGXANAKHQL-NSHDSACASA-N 1 0 272.327 2.129 10 0 CEAERO CO[C@@H]1CN(C(=O)c2cccc(Cl)c2C)[C@](C)(C[NH3+])C1 ZINC000630373632 351715421 /nfs/dbraw/zinc/71/54/21/351715421.db2.gz KSRHKACBOBQSJR-NHYWBVRUSA-N 1 0 296.798 2.227 10 0 CEAERO [NH3+][C@H]1CCCCCN(c2ccc(C(F)(F)F)nn2)C1 ZINC000630550394 351781269 /nfs/dbraw/zinc/78/12/69/351781269.db2.gz UJEPUFLFRGRXGI-VIFPVBQESA-N 1 0 274.290 2.203 10 0 CEAERO Cc1ccnc(N2C[C@H](C)[C@@H](C[NH3+])C2)c1Br ZINC000630571724 351788567 /nfs/dbraw/zinc/78/85/67/351788567.db2.gz OMNSPEAXFLSIQQ-UWVGGRQHSA-N 1 0 284.201 2.184 10 0 CEAERO Cc1ccnc(N2C[C@@H](C[NH3+])[C@H](C)C2)c1Br ZINC000630571723 351788872 /nfs/dbraw/zinc/78/88/72/351788872.db2.gz OMNSPEAXFLSIQQ-NXEZZACHSA-N 1 0 284.201 2.184 10 0 CEAERO C[C@@H]1CN(c2ncc(Cl)cc2Cl)C[C@H]1C[NH3+] ZINC000630573557 351789111 /nfs/dbraw/zinc/78/91/11/351789111.db2.gz UYQFAXGZFYJLPU-HTQZYQBOSA-N 1 0 260.168 2.419 10 0 CEAERO [NH3+]C[C@@H]1CN(c2ncncc2Cl)CC[C@H]1C(F)(F)F ZINC000630527228 351773456 /nfs/dbraw/zinc/77/34/56/351773456.db2.gz PPXFTZHEEKXSMY-HTQZYQBOSA-N 1 0 294.708 2.094 10 0 CEAERO CCOC(C[N@@H+]1CCC[C@@H](n2cc(C)cn2)C1)OCC ZINC000124209976 187126871 /nfs/dbraw/zinc/12/68/71/187126871.db2.gz SBVCCWVRELZYLD-CQSZACIVSA-N 1 0 281.400 2.228 10 0 CEAERO CC(=O)Oc1ccc(C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)cc1 ZINC000123215320 187078126 /nfs/dbraw/zinc/07/81/26/187078126.db2.gz CMWQXPWUMSNTSU-OAHLLOKOSA-N 1 0 299.374 2.335 10 0 CEAERO CCCC[C@@H](C[NH3+])Nc1cc(OC(C)C)ncn1 ZINC000130543179 187503168 /nfs/dbraw/zinc/50/31/68/187503168.db2.gz XZPALBNFWOOQIX-NSHDSACASA-N 1 0 252.362 2.193 10 0 CEAERO CCc1nsc(N[C@@H](C[NH3+])C2CCCCC2)n1 ZINC000130865893 187525129 /nfs/dbraw/zinc/52/51/29/187525129.db2.gz WNHCJPGJNDEIKX-JTQLQIEISA-N 1 0 254.403 2.420 10 0 CEAERO [NH3+][C@@H](CO)c1cc(Br)cc(C(F)(F)F)c1 ZINC000072199643 363121220 /nfs/dbraw/zinc/12/12/20/363121220.db2.gz FCMGTYDCYSTMGU-QMMMGPOBSA-N 1 0 284.075 2.460 10 0 CEAERO CC(C)Cc1ccc([C@H](C)NC(=O)COCC[NH3+])cc1 ZINC000093230798 539845730 /nfs/dbraw/zinc/84/57/30/539845730.db2.gz XGKMDZWPUKROKC-ZDUSSCGKSA-N 1 0 278.396 2.038 10 0 CEAERO COC[C@H](C)C(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000133104720 187666390 /nfs/dbraw/zinc/66/63/90/187666390.db2.gz NUMXBAJKQKEBIJ-AWEZNQCLSA-N 1 0 292.423 2.296 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@H](C)c2cc(F)cc(F)c2)C1 ZINC000252739817 539897266 /nfs/dbraw/zinc/89/72/66/539897266.db2.gz HXCVGKHFSIMWIW-IAQYHMDHSA-N 1 0 284.350 2.336 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000155362698 188201167 /nfs/dbraw/zinc/20/11/67/188201167.db2.gz FJSYZPQLHZBUNA-BBRMVZONSA-N 1 0 289.423 2.211 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1nc(C)ccc1O ZINC000156082512 188241661 /nfs/dbraw/zinc/24/16/61/188241661.db2.gz RIANYGDOUTVXFL-ZDUSSCGKSA-N 1 0 263.385 2.012 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000073503776 363224971 /nfs/dbraw/zinc/22/49/71/363224971.db2.gz SLDJRSVPFDUVFG-QWHCGFSZSA-N 1 0 279.384 2.433 10 0 CEAERO C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]2C[NH3+])[C@@H](C)C1 ZINC000252218098 540002317 /nfs/dbraw/zinc/00/23/17/540002317.db2.gz ZREZKUZAFRVKDM-HTOAHKCRSA-N 1 0 252.402 2.302 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C)c1c(C)n[nH]c1C ZINC000132081278 366116429 /nfs/dbraw/zinc/11/64/29/366116429.db2.gz ZGDJIOGWNQBYKX-SMDDNHRTSA-N 1 0 292.427 2.073 10 0 CEAERO Cc1cccc(C(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)c1F ZINC000161614234 188537645 /nfs/dbraw/zinc/53/76/45/188537645.db2.gz ZVFZGHMQHHCILW-YPMHNXCESA-N 1 0 264.344 2.156 10 0 CEAERO CCCC(=O)N[C@@H]1CCC[N@H+](CCCCC(=O)OCC)C1 ZINC000132733649 366168029 /nfs/dbraw/zinc/16/80/29/366168029.db2.gz DGGBYIALWHVHSF-CQSZACIVSA-N 1 0 298.427 2.101 10 0 CEAERO [NH3+][C@H]1CCCN(C(=O)c2cc3cc(F)ccc3o2)C1 ZINC000158488691 540057518 /nfs/dbraw/zinc/05/75/18/540057518.db2.gz IXJNQLXYYUEFSI-NSHDSACASA-N 1 0 262.284 2.135 10 0 CEAERO CNC(=O)[C@H]([NH2+]Cc1ccc2ccccc2n1)C(C)C ZINC000178952153 542253231 /nfs/dbraw/zinc/25/32/31/542253231.db2.gz FARCABRJXUOJIY-OAHLLOKOSA-N 1 0 271.364 2.095 10 0 CEAERO CC(C)(C)NC(=O)N([C@@H](CC[NH3+])C(F)(F)F)C1CC1 ZINC000675058955 540079524 /nfs/dbraw/zinc/07/95/24/540079524.db2.gz DPDNOJKASPJHMB-VIFPVBQESA-N 1 0 281.322 2.239 10 0 CEAERO CC[C@@H]1C[N@H+](C[C@@H]2CCC[C@H](O)C2)[C@@H](CC)CO1 ZINC000403935023 540118041 /nfs/dbraw/zinc/11/80/41/540118041.db2.gz LTOHGVIMZWXQLI-CBBWQLFWSA-N 1 0 255.402 2.427 10 0 CEAERO Cc1ccc(C2=C[C@H]([NH3+])CN(C(=O)OC(C)(C)C)C2)cn1 ZINC000675077840 540119057 /nfs/dbraw/zinc/11/90/57/540119057.db2.gz JDSGLBARDJPWSE-AWEZNQCLSA-N 1 0 289.379 2.351 10 0 CEAERO C[C@H](C(=O)NC[C@@H]1C[C@@H]2C[C@@H]([NH3+])[C@H]2C1)C(C)(C)C ZINC000675071198 540113676 /nfs/dbraw/zinc/11/36/76/540113676.db2.gz XLOBDVAEOHDIEN-NJMOYASZSA-N 1 0 252.402 2.158 10 0 CEAERO Brc1cncc(N[C@@H]2CCC[NH2+]C2)c1 ZINC000261527382 540148132 /nfs/dbraw/zinc/14/81/32/540148132.db2.gz AJKGZFTXAADTPX-SECBINFHSA-N 1 0 256.147 2.008 10 0 CEAERO O=C(NCC1C[NH2+]C1)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000262060810 540164982 /nfs/dbraw/zinc/16/49/82/540164982.db2.gz YSPFRLUJENHWEL-WDEREUQCSA-N 1 0 299.201 2.433 10 0 CEAERO CC1([C@@H](O)c2sccc2Br)C[NH2+]C1 ZINC000575498283 366291607 /nfs/dbraw/zinc/29/16/07/366291607.db2.gz WAIOVQBSTVVEAJ-QMMMGPOBSA-N 1 0 262.172 2.154 10 0 CEAERO COc1c(C[NH2+]Cc2ccccc2C)c(C)nn1C ZINC000134103279 366286496 /nfs/dbraw/zinc/28/64/96/366286496.db2.gz KEYVYRZFXHHPLE-UHFFFAOYSA-N 1 0 259.353 2.335 10 0 CEAERO CC1([C@H](O)c2sccc2Br)C[NH2+]C1 ZINC000575498282 366291421 /nfs/dbraw/zinc/29/14/21/366291421.db2.gz WAIOVQBSTVVEAJ-MRVPVSSYSA-N 1 0 262.172 2.154 10 0 CEAERO O[C@H](c1sccc1Br)[C@H]1CC[NH2+]C1 ZINC000575509188 366293062 /nfs/dbraw/zinc/29/30/62/366293062.db2.gz WBDNAVDDBXCSLH-XPUUQOCRSA-N 1 0 262.172 2.154 10 0 CEAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CCC(=O)OC(C)(C)C ZINC000134760536 366358645 /nfs/dbraw/zinc/35/86/45/366358645.db2.gz OVAZRVCOITZEIH-UONOGXRCSA-N 1 0 282.428 2.277 10 0 CEAERO COc1cc(F)ccc1NC(=O)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000049570461 522609725 /nfs/dbraw/zinc/60/97/25/522609725.db2.gz TXJDPSYPQZTPOS-ZJUUUORDSA-N 1 0 266.316 2.161 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CCc2ccccc21 ZINC000227392769 538819566 /nfs/dbraw/zinc/81/95/66/538819566.db2.gz UKLOBFDJQIDJCE-AEGPPILISA-N 1 0 258.365 2.165 10 0 CEAERO COc1ccc(C)cc1[C@H](C)NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000079513787 538891040 /nfs/dbraw/zinc/89/10/40/538891040.db2.gz DYHHFBNMDOSDSI-LRDDRELGSA-N 1 0 276.380 2.323 10 0 CEAERO COc1ccc([C@@H](C)NC(=O)[C@@]2(C)CCC[NH2+]2)cc1F ZINC000079515187 363611572 /nfs/dbraw/zinc/61/15/72/363611572.db2.gz IMSCXTKJKUODBV-MEBBXXQBSA-N 1 0 280.343 2.154 10 0 CEAERO COc1ccc(C[N@@H+]2CCC[C@H](O)[C@@H]2C)cc1F ZINC000294919364 199248407 /nfs/dbraw/zinc/24/84/07/199248407.db2.gz FNTAKDIUKVGJMF-GWCFXTLKSA-N 1 0 253.317 2.180 10 0 CEAERO Cc1nnc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H](O)C2)s1 ZINC000391952863 540416266 /nfs/dbraw/zinc/41/62/66/540416266.db2.gz HDDQVQIUDUKTCR-JMJZKYOTSA-N 1 0 255.387 2.048 10 0 CEAERO Cc1ccc(OCCN(C)C(=O)[C@]2(C)CCCC[NH2+]2)cc1 ZINC000136149226 366498669 /nfs/dbraw/zinc/49/86/69/366498669.db2.gz HQUKXFZOXHVZCI-KRWDZBQOSA-N 1 0 290.407 2.364 10 0 CEAERO O=C([C@@H]1C[C@H]2C[C@H]2C1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000311379312 540457049 /nfs/dbraw/zinc/45/70/49/540457049.db2.gz WXPCBKLUAUZHOJ-BTTYYORXSA-N 1 0 262.397 2.025 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1c1ccc(Br)cn1 ZINC000044559699 283459723 /nfs/dbraw/zinc/45/97/23/283459723.db2.gz ZWCMUMCTNRNOIP-JTQLQIEISA-N 1 0 270.174 2.162 10 0 CEAERO Brc1ccc([C@]23CC[C@H]2CC[NH2+]3)cn1 ZINC000685946639 540634340 /nfs/dbraw/zinc/63/43/40/540634340.db2.gz DFTVRRRTWPQBNY-KWQFWETISA-N 1 0 253.143 2.443 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@@H]([NH+]2CCC2)CC1 ZINC000685953601 540648793 /nfs/dbraw/zinc/64/87/93/540648793.db2.gz XDDOEKCAARJOSH-GFCCVEGCSA-N 1 0 254.374 2.482 10 0 CEAERO C[C@@H]([NH3+])Cc1cnc(C(Cl)(Cl)Cl)nc1 ZINC000685956657 540652436 /nfs/dbraw/zinc/65/24/36/540652436.db2.gz YEFZUDBZCPETBL-RXMQYKEDSA-N 1 0 254.548 2.193 10 0 CEAERO COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCO[C@H]1C)CC2 ZINC000149400451 366589214 /nfs/dbraw/zinc/58/92/14/366589214.db2.gz KBJWKUHSMFLHQG-PEYYIBSZSA-N 1 0 261.365 2.320 10 0 CEAERO Cc1[nH+]cc2n1CC[C@H](c1nc(-c3cncs3)no1)C2 ZINC000329585078 202398674 /nfs/dbraw/zinc/39/86/74/202398674.db2.gz RBMFBJJFIMPQAO-VIFPVBQESA-N 1 0 287.348 2.428 10 0 CEAERO C[C@H](NC[C@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1F ZINC000151271068 366634507 /nfs/dbraw/zinc/63/45/07/366634507.db2.gz QHZYRIFLHWIVDE-JSGCOSHPSA-N 1 0 298.377 2.462 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)/C=C/c1cccnc1 ZINC000177037624 189023389 /nfs/dbraw/zinc/02/33/89/189023389.db2.gz AZNNEOLDPGLERH-XVJNWHFHSA-N 1 0 273.380 2.038 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(N(C)C)cc1 ZINC000177423048 189050222 /nfs/dbraw/zinc/05/02/22/189050222.db2.gz DFXRPLDPLVXNAP-MRXNPFEDSA-N 1 0 289.423 2.309 10 0 CEAERO CCc1ccccc1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000178314634 189105573 /nfs/dbraw/zinc/10/55/73/189105573.db2.gz UTDZNCVHVKYROW-AWEZNQCLSA-N 1 0 258.365 2.169 10 0 CEAERO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178691371 189137880 /nfs/dbraw/zinc/13/78/80/189137880.db2.gz KBGUAMMVVFBVCP-MCIONIFRSA-N 1 0 290.432 2.467 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCNC1=O)c1ccc2ccccc2c1 ZINC000179059529 189165637 /nfs/dbraw/zinc/16/56/37/189165637.db2.gz CPRMYPIVSJDDON-IAQYHMDHSA-N 1 0 254.333 2.379 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]2CN(c3cnc4ccccc4n3)C[C@@H]21 ZINC000230134445 283588237 /nfs/dbraw/zinc/58/82/37/283588237.db2.gz QBMNFOGKVGWGIR-RWMBFGLXSA-N 1 0 268.364 2.193 10 0 CEAERO OC[C@H]1C[C@H](O)C[N@@H+]1CCCc1cccc2ccccc21 ZINC000179184833 189175506 /nfs/dbraw/zinc/17/55/06/189175506.db2.gz OFONFOIWJQPRTQ-SJORKVTESA-N 1 0 285.387 2.200 10 0 CEAERO Fc1cccc2c1SCC[C@H]2[NH2+]CCn1cncn1 ZINC000268840948 540938632 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2.246 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C[C@](C)(O)c1ccccc1 ZINC000092633690 364093500 /nfs/dbraw/zinc/09/35/00/364093500.db2.gz PSDDGVPNEDVKJG-SJORKVTESA-N 1 0 276.424 2.310 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1c(C)noc1C ZINC000092696136 364099833 /nfs/dbraw/zinc/09/98/33/364099833.db2.gz XYJJSVDSNOBYFX-UONOGXRCSA-N 1 0 263.385 2.350 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCCC2(CC2)CC1 ZINC000638755725 370726628 /nfs/dbraw/zinc/72/66/28/370726628.db2.gz FSWOAASTAWALDI-QWHCGFSZSA-N 1 0 250.386 2.154 10 0 CEAERO Cc1ncc(C[N@@H+](C)CC(C)(C)O)n1-c1ccccc1 ZINC000093414570 364177221 /nfs/dbraw/zinc/17/72/21/364177221.db2.gz RDICYMFQANWSKI-UHFFFAOYSA-N 1 0 273.380 2.383 10 0 CEAERO [NH3+][C@H]1CC[C@H](C(=O)NCCCCOCc2ccccc2)C1 ZINC000237938723 370761445 /nfs/dbraw/zinc/76/14/45/370761445.db2.gz WWOFEUSWNYFWBY-HOTGVXAUSA-N 1 0 290.407 2.227 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H](C(=O)N(C[C@@H]2CCCO2)C2CCCC2)C1 ZINC000237856996 370754410 /nfs/dbraw/zinc/75/44/10/370754410.db2.gz 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CCC1(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CCOCC1 ZINC000335866282 365089617 /nfs/dbraw/zinc/08/96/17/365089617.db2.gz LGAGLMJNCFMCFC-INIZCTEOSA-N 1 0 266.429 2.269 10 0 CEAERO CC[C@H]1CN(C(=O)CC2=CCCCC2)CC[N@@H+]1CCOC ZINC000117303014 365101571 /nfs/dbraw/zinc/10/15/71/365101571.db2.gz PRUOFROLAZVEFQ-INIZCTEOSA-N 1 0 294.439 2.446 10 0 CEAERO CCc1ccc(CN2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000117340117 365103540 /nfs/dbraw/zinc/10/35/40/365103540.db2.gz QPNNUKBRRKUBEK-INIZCTEOSA-N 1 0 262.397 2.011 10 0 CEAERO COCCN1CC[N@H+](CCC2CCCC2)C[C@H]1C ZINC000119158839 365225343 /nfs/dbraw/zinc/22/53/43/365225343.db2.gz AISFLOJMDIBDIG-CQSZACIVSA-N 1 0 254.418 2.219 10 0 CEAERO CC[C@@H](O)C[NH+]1CCN(CCCc2ccccc2)CC1 ZINC000118858815 365187032 /nfs/dbraw/zinc/18/70/32/365187032.db2.gz FCQKTFOVQFXXPW-QGZVFWFLSA-N 1 0 276.424 2.008 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)c1cccnc1 ZINC000119362465 365263124 /nfs/dbraw/zinc/26/31/24/365263124.db2.gz SVQZIDFRQSIOSA-GDBMZVCRSA-N 1 0 289.423 2.422 10 0 CEAERO COCOc1ccc(OC)cc1C[NH2+][C@H]1C[C@@H]1C ZINC000119223921 365238820 /nfs/dbraw/zinc/23/88/20/365238820.db2.gz YDVXIGWCYMCKLA-GWCFXTLKSA-N 1 0 251.326 2.176 10 0 CEAERO O=C1NC2(CC[NH+](C3CCCCC3)CC2)N2CCCC[C@@H]12 ZINC000336031741 365316592 /nfs/dbraw/zinc/31/65/92/365316592.db2.gz DEMYDQBYTXNMEY-HNNXBMFYSA-N 1 0 291.439 2.096 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000042167644 283858391 /nfs/dbraw/zinc/85/83/91/283858391.db2.gz LMXBEUMDBCAUGO-GARJFASQSA-N 1 0 278.318 2.366 10 0 CEAERO c1cn2c(n1)CC[C@H](C[NH2+]Cc1ccc3c[nH]nc3c1)C2 ZINC000275625130 193088901 /nfs/dbraw/zinc/08/89/01/193088901.db2.gz RYRIEMSGCMAVAJ-CYBMUJFWSA-N 1 0 281.363 2.112 10 0 CEAERO CC[C@H](C)C[NH+]1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000120438639 365424501 /nfs/dbraw/zinc/42/45/01/365424501.db2.gz AZPYGNZOUOPRTB-RDJZCZTQSA-N 1 0 276.424 2.384 10 0 CEAERO CC[C@H](C)C[NH+]1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000120499676 365433951 /nfs/dbraw/zinc/43/39/51/365433951.db2.gz CFOMRZRUPUEBFN-NWDGAFQWSA-N 1 0 266.389 2.103 10 0 CEAERO FC(F)(F)c1nnc(NC[C@H]2CCCC[NH2+]2)s1 ZINC000160362073 367000162 /nfs/dbraw/zinc/00/01/62/367000162.db2.gz NFVLAYYYUTVAFH-ZCFIWIBFSA-N 1 0 266.292 2.111 10 0 CEAERO C[C@H]1CN(C(=O)CC2CCCCCC2)C[C@H]1C[NH3+] ZINC000638886089 370820295 /nfs/dbraw/zinc/82/02/95/370820295.db2.gz FYMSDKKDIPXGNA-GXTWGEPZSA-N 1 0 252.402 2.400 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)NC(C)(C)CC ZINC000245458753 370823623 /nfs/dbraw/zinc/82/36/23/370823623.db2.gz DARVRGGEUSTTSZ-ZIAGYGMSSA-N 1 0 283.460 2.096 10 0 CEAERO CC(=O)c1ccccc1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000245464818 370823752 /nfs/dbraw/zinc/82/37/52/370823752.db2.gz PSNBAGHQIJAYRT-OCCSQVGLSA-N 1 0 286.375 2.198 10 0 CEAERO C[C@@H]1CN(C(=O)c2sccc2Cl)C[C@@H]1C[NH3+] ZINC000638895280 370825917 /nfs/dbraw/zinc/82/59/17/370825917.db2.gz UBLLUAAEKCQUNH-SFYZADRCSA-N 1 0 258.774 2.068 10 0 CEAERO CCC[C@H](C(=O)N[C@@H]1C[C@@H](OCC)C12CCC2)[NH+](C)C ZINC000245508565 370830240 /nfs/dbraw/zinc/83/02/40/370830240.db2.gz JHVSNOUQLCEUJT-MGPQQGTHSA-N 1 0 282.428 2.181 10 0 CEAERO C[C@H](O)CN1CC[N@H+](C[C@@H]2CCC[C@H](C)C2)C[C@@H]1C ZINC000245579575 370844424 /nfs/dbraw/zinc/84/44/24/370844424.db2.gz AURQBNHUSMKJSV-YHUYYLMFSA-N 1 0 268.445 2.200 10 0 CEAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1cncc(Br)c1 ZINC000166902810 367332074 /nfs/dbraw/zinc/33/20/74/367332074.db2.gz NVBXDFYVAFJNNX-AAEUAGOBSA-N 1 0 299.212 2.485 10 0 CEAERO C[C@@H](N[C@@H]1CCCn2ncnc21)c1ccc2c(c1)OCO2 ZINC000164798793 367296001 /nfs/dbraw/zinc/29/60/01/367296001.db2.gz NEJGBUJSGJULTO-ZYHUDNBSSA-N 1 0 286.335 2.193 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)NCC2(c3ccccc3)CC2)C1 ZINC000170827676 367426784 /nfs/dbraw/zinc/42/67/84/367426784.db2.gz ZIUAOWMGUXQGSB-OAHLLOKOSA-N 1 0 287.407 2.064 10 0 CEAERO C[N@@H+]1CC[C@]23CC(=O)CC[C@H]2[C@H]1Cc1ccc(O)cc13 ZINC000169369171 367368549 /nfs/dbraw/zinc/36/85/49/367368549.db2.gz DRLCTBKVUWSSIT-UAGQMJEPSA-N 1 0 271.360 2.259 10 0 CEAERO 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ZINC000271083717 373110471 /nfs/dbraw/zinc/11/04/71/373110471.db2.gz IJWRXIMTCPHWRU-PWSUYJOCSA-N 1 0 266.364 2.319 10 0 CEAERO COC[C@@]1(C(=O)N[C@H](C)c2ccc(Cl)cc2)CCC[NH2+]1 ZINC000643619745 373222498 /nfs/dbraw/zinc/22/24/98/373222498.db2.gz FZICOYXYQBYNTA-IAQYHMDHSA-N 1 0 296.798 2.286 10 0 CEAERO COC[C@@]1(C(=O)N[C@@H](C)c2ccc(Cl)cc2)CCC[NH2+]1 ZINC000643619747 373222956 /nfs/dbraw/zinc/22/29/56/373222956.db2.gz FZICOYXYQBYNTA-XHDPSFHLSA-N 1 0 296.798 2.286 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)CCOc1cccc(Cl)c1 ZINC000643590740 373208308 /nfs/dbraw/zinc/20/83/08/373208308.db2.gz WXDSPHGFDZVPPK-GXFFZTMASA-N 1 0 282.771 2.057 10 0 CEAERO COC[C@]1(C(=O)Nc2ccc(Cl)c(OC)c2)CCC[NH2+]1 ZINC000643773951 373265127 /nfs/dbraw/zinc/26/51/27/373265127.db2.gz BPAPGFUFJQQSOV-AWEZNQCLSA-N 1 0 298.770 2.056 10 0 CEAERO Cc1ccc(Cl)c(OCC(=O)N[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000644064692 373374066 /nfs/dbraw/zinc/37/40/66/373374066.db2.gz KXEGEAJNKHQDGF-YPMHNXCESA-N 1 0 296.798 2.271 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@@H]2[NH2+]CC2(C)C)c(C)c1 ZINC000644017839 373343134 /nfs/dbraw/zinc/34/31/34/373343134.db2.gz XTOKRNRJGJCGJQ-JSGCOSHPSA-N 1 0 260.381 2.479 10 0 CEAERO COc1ccc(C)cc1[C@H](C)NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000644089456 373401281 /nfs/dbraw/zinc/40/12/81/373401281.db2.gz YFOJDPVNMWIFGU-FZMZJTMJSA-N 1 0 276.380 2.179 10 0 CEAERO O[C@H](C[NH2+]CCC1(F)CCC1)COCc1ccco1 ZINC000644647201 373581019 /nfs/dbraw/zinc/58/10/19/373581019.db2.gz HHTWLVUOKPGHBW-GFCCVEGCSA-N 1 0 271.332 2.029 10 0 CEAERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCS[C@@H](C)C1 ZINC000247189103 220220546 /nfs/dbraw/zinc/22/05/46/220220546.db2.gz LFAGVKYJHJGKTJ-KBPBESRZSA-N 1 0 299.484 2.398 10 0 CEAERO O=C(NC[C@@H]1CC[NH2+]C1)Nc1cccc(Br)c1 ZINC000258329245 220221470 /nfs/dbraw/zinc/22/14/70/220221470.db2.gz YKSWVOAQJYQBBP-SECBINFHSA-N 1 0 298.184 2.180 10 0 CEAERO C[C@H](CCOc1ccccc1)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000248888625 189955037 /nfs/dbraw/zinc/95/50/37/189955037.db2.gz VODYGQHPEBKHEU-IJEWVQPXSA-N 1 0 290.407 2.348 10 0 CEAERO C[C@@H](c1c(F)cccc1F)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105927943 296223506 /nfs/dbraw/zinc/22/35/06/296223506.db2.gz DPPGXZSLFKKZJO-NWDGAFQWSA-N 1 0 284.350 2.288 10 0 CEAERO C[C@H](NC(=O)[C@@]1(C)CCC[NH2+]1)[C@H]1CC2CCC1CC2 ZINC000381990290 375182008 /nfs/dbraw/zinc/18/20/08/375182008.db2.gz XIPNWHVOOFTOIM-KJQVNHJJSA-N 1 0 264.413 2.460 10 0 CEAERO COC(=O)[C@H]1CC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000381739014 375179790 /nfs/dbraw/zinc/17/97/90/375179790.db2.gz UHCQGTLNOISZPP-WDEREUQCSA-N 1 0 261.312 2.307 10 0 CEAERO [NH3+]CC[C@@H](Nc1ncccc1C(F)(F)F)C(F)F ZINC000383396237 375202660 /nfs/dbraw/zinc/20/26/60/375202660.db2.gz QHEMPCZTBUJRBG-SSDOTTSWSA-N 1 0 269.217 2.495 10 0 CEAERO COCCN(Cc1ccccc1)C(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000384303666 375210437 /nfs/dbraw/zinc/21/04/37/375210437.db2.gz ZRMVDSVBRLLBNY-GOEBONIOSA-N 1 0 290.407 2.050 10 0 CEAERO CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000384879722 375221027 /nfs/dbraw/zinc/22/10/27/375221027.db2.gz ICHMMGNASMCRAD-SOUVJXGZSA-N 1 0 284.444 2.163 10 0 CEAERO CC[NH2+][C@H](C)CNc1ncccc1Br ZINC000387616511 375278739 /nfs/dbraw/zinc/27/87/39/375278739.db2.gz AQWKXZVUTCPHHV-MRVPVSSYSA-N 1 0 258.163 2.254 10 0 CEAERO c1cn(Cc2ccccc2)nc1CN[C@@H]1CCC[NH2+]CC1 ZINC000389947090 375310684 /nfs/dbraw/zinc/31/06/84/375310684.db2.gz UUQFXTXQYSXFMJ-MRXNPFEDSA-N 1 0 284.407 2.163 10 0 CEAERO CCS(=O)(=O)c1ccccc1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000399001083 375354408 /nfs/dbraw/zinc/35/44/08/375354408.db2.gz CGXJBQBUPMEISP-NEPJUHHUSA-N 1 0 282.409 2.033 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1csc(C)c1C ZINC000399856760 375370133 /nfs/dbraw/zinc/37/01/33/375370133.db2.gz ODIXFLXYOXSWAY-QPUJVOFHSA-N 1 0 254.399 2.355 10 0 CEAERO [NH3+]C[C@@H]1CC[C@H](c2cncc(Br)c2)O1 ZINC000306549360 376549846 /nfs/dbraw/zinc/54/98/46/376549846.db2.gz DRNFZSIYNAEDGZ-VHSXEESVSA-N 1 0 257.131 2.023 10 0 CEAERO C[C@H]1C[NH2+][C@]2(CCN(C(=O)OC(C)(C)C)C2)SC1 ZINC000306628017 376551212 /nfs/dbraw/zinc/55/12/12/376551212.db2.gz ZZCXFJLEHWYDGO-GXFFZTMASA-N 1 0 272.414 2.296 10 0 CEAERO Cc1cc(N[C@@H](C)[C@H](C)[NH3+])cnc1Br ZINC000307332020 376562027 /nfs/dbraw/zinc/56/20/27/376562027.db2.gz KNKYAGWBZMPLJX-YUMQZZPRSA-N 1 0 258.163 2.300 10 0 CEAERO Cc1cc(NCC2C[NH+](C)C2)ncc1Br ZINC000307533916 376568589 /nfs/dbraw/zinc/56/85/89/376568589.db2.gz NWCJXNKYRZTFFX-UHFFFAOYSA-N 1 0 270.174 2.126 10 0 CEAERO C[C@H](CCCC[NH3+])Nc1nnc(C(F)(F)F)s1 ZINC000310485944 376623500 /nfs/dbraw/zinc/62/35/00/376623500.db2.gz DWVCRPKYOLXDIP-ZCFIWIBFSA-N 1 0 268.308 2.486 10 0 CEAERO CCc1cc(CC)nc(N[C@H](C[NH3+])CC(C)C)n1 ZINC000310634456 376628558 /nfs/dbraw/zinc/62/85/58/376628558.db2.gz PKILAMPKFRDJHX-ZDUSSCGKSA-N 1 0 250.390 2.387 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]CCn2ccnc2C)c1C ZINC000312730561 376726690 /nfs/dbraw/zinc/72/66/90/376726690.db2.gz JDMZIWCFIJGAGX-LLVKDONJSA-N 1 0 275.400 2.376 10 0 CEAERO O[C@]12CCCC[C@H]1C[N@H+](CCn1cc(Cl)cn1)CC2 ZINC000312899410 376733211 /nfs/dbraw/zinc/73/32/11/376733211.db2.gz LDNYFQDYLJCUMS-JSGCOSHPSA-N 1 0 283.803 2.164 10 0 CEAERO C[C@H]1CN(Cc2ccccc2)CC[N@H+](CC(C)(C)O)C1 ZINC000323372030 376836883 /nfs/dbraw/zinc/83/68/83/376836883.db2.gz DOFGVMRLXNCXKI-HNNXBMFYSA-N 1 0 276.424 2.211 10 0 CEAERO COc1ccc(F)cc1C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000291203019 377119260 /nfs/dbraw/zinc/11/92/60/377119260.db2.gz NFJHSFUEZNPZDD-GWCFXTLKSA-N 1 0 253.317 2.085 10 0 CEAERO C(=C\[C@H]1CCOC1)\c1nc(CC23CCC[NH+]2CCC3)no1 ZINC000428350790 377492158 /nfs/dbraw/zinc/49/21/58/377492158.db2.gz BKBSOAZNNMLCRD-SCOBNMCVSA-N 1 0 289.379 2.290 10 0 CEAERO C[C@H]1CN(Cc2cccc(Br)n2)C[C@H]1[NH+](C)C ZINC000293367452 377539913 /nfs/dbraw/zinc/53/99/13/377539913.db2.gz YVEHRQNGEWDAME-CMPLNLGQSA-N 1 0 298.228 2.226 10 0 CEAERO [NH3+]Cc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000020429566 249298220 /nfs/dbraw/zinc/29/82/20/249298220.db2.gz JGWZKUQGSXHXLJ-UHFFFAOYSA-N 1 0 284.315 2.169 10 0 CEAERO C[C@@H]1C[C@H]([NH2+][C@@H](CN(C)C)c2ccccc2)[C@@H](C)O1 ZINC000294945947 378031330 /nfs/dbraw/zinc/03/13/30/378031330.db2.gz AGEMJCLGJCTUOM-VDERGJSUSA-N 1 0 262.397 2.445 10 0 CEAERO CC(=O)SC[C@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000503996093 379072724 /nfs/dbraw/zinc/07/27/24/379072724.db2.gz MTZCQHJDMWOPPV-OLZOCXBDSA-N 1 0 250.367 2.354 10 0 CEAERO CCc1nn(C)cc1C[NH+]1CCC(Cn2cccn2)CC1 ZINC000180125644 542261681 /nfs/dbraw/zinc/26/16/81/542261681.db2.gz JEWZVMIGQUAQTL-UHFFFAOYSA-N 1 0 287.411 2.091 10 0 CEAERO CC[C@H](CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C(C)C ZINC000171471071 183615838 /nfs/dbraw/zinc/61/58/38/183615838.db2.gz FJVJQQZRZZHDMX-ZIAGYGMSSA-N 1 0 252.402 2.365 10 0 CEAERO COC[C@H]1CN(c2cc[nH+]c3c(C)cccc23)CCO1 ZINC000301638122 379292984 /nfs/dbraw/zinc/29/29/84/379292984.db2.gz AJNUEBYEHGJLFG-CYBMUJFWSA-N 1 0 272.348 2.395 10 0 CEAERO COC(=O)c1cccnc1C[N@@H+]1CCC[C@H](C)[C@H]1C ZINC000302474561 379378804 /nfs/dbraw/zinc/37/88/04/379378804.db2.gz ZRXBCGBCSKGFTA-NWDGAFQWSA-N 1 0 262.353 2.489 10 0 CEAERO Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181090472 542270787 /nfs/dbraw/zinc/27/07/87/542270787.db2.gz QZOLQKRYDCAPNL-CMPLNLGQSA-N 1 0 288.399 2.099 10 0 CEAERO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2nncs2)cc1F ZINC000181359795 542273480 /nfs/dbraw/zinc/27/34/80/542273480.db2.gz WSFVDJMCWGSNDY-VIFPVBQESA-N 1 0 294.355 2.275 10 0 CEAERO CN(CC[N@H+](C)CCn1cccn1)Cc1ccc(F)cc1 ZINC000181698027 542275298 /nfs/dbraw/zinc/27/52/98/542275298.db2.gz GNFFHTLHWWPCAL-UHFFFAOYSA-N 1 0 290.386 2.086 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)/C=C\c1ccc(O)cc1 ZINC000492450720 380560659 /nfs/dbraw/zinc/56/06/59/380560659.db2.gz SMCFTBQTDNYGOK-LGQYFOJISA-N 1 0 286.375 2.101 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)/C=C\c1ncccc1C ZINC000492553394 380600913 /nfs/dbraw/zinc/60/09/13/380600913.db2.gz RLADRMXDHQOWPU-NKIGNDQYSA-N 1 0 299.418 2.488 10 0 CEAERO CCc1nn(C)cc1CN1C[C@H]2CCC[N@H+]2C[C@@H]1CC ZINC000182076335 542278442 /nfs/dbraw/zinc/27/84/42/542278442.db2.gz RHGHWPQDJCQBBH-LSDHHAIUSA-N 1 0 276.428 2.041 10 0 CEAERO C[C@@H]1C[C@H](O)C[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000334746871 207008642 /nfs/dbraw/zinc/00/86/42/207008642.db2.gz RZIVMLVCDOTBKL-DOMZBBRYSA-N 1 0 256.349 2.438 10 0 CEAERO C[C@H](NC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1)C1CCCC1 ZINC000334954892 207349852 /nfs/dbraw/zinc/34/98/52/207349852.db2.gz DPWOZIHINWZHGE-WCQYABFASA-N 1 0 267.417 2.334 10 0 CEAERO CCN1C(=O)CC[C@@H]([NH3+])[C@@H]1c1ccc(F)cc1C ZINC000070985760 184574165 /nfs/dbraw/zinc/57/41/65/184574165.db2.gz PSMKYDLTLUNYBC-OCCSQVGLSA-N 1 0 250.317 2.145 10 0 CEAERO C[NH2+][C@H]1CCOC[C@H]1Sc1ccc(OC)cc1 ZINC000081863742 184598461 /nfs/dbraw/zinc/59/84/61/184598461.db2.gz ZUTDBGPWRYHDOG-QWHCGFSZSA-N 1 0 253.367 2.164 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1Sc1nnnn1C1CCCC1 ZINC000081866558 184598747 /nfs/dbraw/zinc/59/87/47/184598747.db2.gz JWLYEKOUCWGWSA-WDEREUQCSA-N 1 0 267.402 2.150 10 0 CEAERO CCC[C@H](C)NC(=O)COC1(C[NH3+])CCC(C)CC1 ZINC000086711685 184610319 /nfs/dbraw/zinc/61/03/19/184610319.db2.gz BNSZGGAFXYQVGI-OWYJLGKBSA-N 1 0 270.417 2.215 10 0 CEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N(CC)C2CC2)s1 ZINC000088940953 184614356 /nfs/dbraw/zinc/61/43/56/184614356.db2.gz HLMJEVMEYUBZCC-UHFFFAOYSA-N 1 0 288.438 2.031 10 0 CEAERO CCC(CC)N(C)S(=O)(=O)Cc1cccc(C[NH2+]C)c1 ZINC000088964039 184615550 /nfs/dbraw/zinc/61/55/50/184615550.db2.gz HQGIGXQEJRLKNL-UHFFFAOYSA-N 1 0 298.452 2.356 10 0 CEAERO CC[C@H](C)N(Cc1ccccc1)C(=O)[C@@H]1COC[C@@H]1[NH2+]C ZINC000090434640 184616319 /nfs/dbraw/zinc/61/63/19/184616319.db2.gz LBFRLRKWTVCCSQ-IMJJTQAJSA-N 1 0 290.407 2.048 10 0 CEAERO CCOc1cc(NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ncn1 ZINC000090794357 184616632 /nfs/dbraw/zinc/61/66/32/184616632.db2.gz QTVBGSDEASUDNF-YHWZYXNKSA-N 1 0 276.384 2.303 10 0 CEAERO [NH3+][C@@H](Cc1ccccc1)[C@H](O)COCC1CCCC1 ZINC000090809058 184617540 /nfs/dbraw/zinc/61/75/40/184617540.db2.gz KTRDRONGVJGDLS-JKSUJKDBSA-N 1 0 263.381 2.124 10 0 CEAERO C[NH2+]CCOC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000092743046 184624345 /nfs/dbraw/zinc/62/43/45/184624345.db2.gz QGHJTJUHKMXNOG-UHFFFAOYSA-N 1 0 262.231 2.473 10 0 CEAERO CC[NH2+]C[C@@H]1CCO[C@@H]1c1c(OC)cc(OC)cc1OC ZINC000092863574 184633162 /nfs/dbraw/zinc/63/31/62/184633162.db2.gz AIQORKVIEMDPAM-ZBEGNZNMSA-N 1 0 295.379 2.400 10 0 CEAERO Cc1cccc(CN(C(=O)[C@H]2CC[NH2+][C@H]2C)C2CC2)c1 ZINC000092954142 184637537 /nfs/dbraw/zinc/63/75/37/184637537.db2.gz XWGTWHKMNQGMFM-BBRMVZONSA-N 1 0 272.392 2.484 10 0 CEAERO CC[NH2+]C[C@@H](c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000093125352 184650539 /nfs/dbraw/zinc/65/05/39/184650539.db2.gz RCUNTYGNLRNKKX-CABCVRRESA-N 1 0 281.421 2.123 10 0 CEAERO CCN[C@@](C[N@H+](CC)C[C@@H](C)CC)(C(=O)OC)C1CC1 ZINC000093252609 184658092 /nfs/dbraw/zinc/65/80/92/184658092.db2.gz XZPAOWNFIVJWPX-XJKSGUPXSA-N 1 0 284.444 2.286 10 0 CEAERO C[C@H](OC1CCCCCC1)C(=O)N1CCC[C@H]1C[NH3+] ZINC000237556255 299551875 /nfs/dbraw/zinc/55/18/75/299551875.db2.gz IBMFFPHNLQCAAJ-STQMWFEESA-N 1 0 268.401 2.064 10 0 CEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccccc1C1CC1 ZINC000392879474 542375373 /nfs/dbraw/zinc/37/53/73/542375373.db2.gz UREDBONNSCDIHK-XHDPSFHLSA-N 1 0 258.365 2.321 10 0 CEAERO C[C@H]1CN(Cc2ccc(Br)o2)C[C@H]1[NH+](C)C ZINC000289178149 197254938 /nfs/dbraw/zinc/25/49/38/197254938.db2.gz AFPDFAAJPUJXKB-GXSJLCMTSA-N 1 0 287.201 2.424 10 0 CEAERO C[C@H](C[C@@H]1CCCCN1C(=O)OC(C)(C)C)[NH2+]CCN ZINC000093486057 184683125 /nfs/dbraw/zinc/68/31/25/184683125.db2.gz AKHUSPDVDTXLFU-OLZOCXBDSA-N 1 0 285.432 2.103 10 0 CEAERO CCCN1C(=[NH2+])NC[C@H]1c1cccc2c1OC(C)(C)C2 ZINC000093373158 184667941 /nfs/dbraw/zinc/66/79/41/184667941.db2.gz KATHDFPGNXUIHQ-ZDUSSCGKSA-N 1 0 273.380 2.482 10 0 CEAERO CC[C@@H](C)N1C(=[NH2+])NC[C@]1(C)c1ccc(O)c(OC)c1 ZINC000093380993 184668850 /nfs/dbraw/zinc/66/88/50/184668850.db2.gz ALWZUQLPZZTSBK-MEBBXXQBSA-N 1 0 277.368 2.045 10 0 CEAERO COc1ccccc1N1C(=[NH2+])NC[C@]12CCC[C@@H]2C ZINC000093388613 184669459 /nfs/dbraw/zinc/66/94/59/184669459.db2.gz XAMSJMHZZXBAOP-NHYWBVRUSA-N 1 0 259.353 2.389 10 0 CEAERO NC(=O)c1c(F)cccc1NC[C@@H]([NH3+])c1ccccc1 ZINC000093409467 184671762 /nfs/dbraw/zinc/67/17/62/184671762.db2.gz VTPDBXVBFJAODK-GFCCVEGCSA-N 1 0 273.311 2.037 10 0 CEAERO O=C1CCC[C@@H]1[C@H]1CCC[N@@H+]1CC[C@@H]1CCCO1 ZINC000093450479 184676717 /nfs/dbraw/zinc/67/67/17/184676717.db2.gz AQUPBLWNMDOHAI-BFHYXJOUSA-N 1 0 251.370 2.389 10 0 CEAERO NC(=O)Cc1ccc(N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000093452113 184677055 /nfs/dbraw/zinc/67/70/55/184677055.db2.gz LLVLNXVLNJDRPZ-HRCADAONSA-N 1 0 287.407 2.047 10 0 CEAERO CC[NH2+][C@@H](CS(=O)(=O)CC)c1ccc(C)c(C)c1 ZINC000081924650 177897671 /nfs/dbraw/zinc/89/76/71/177897671.db2.gz SIRCEGCDFAQJRH-AWEZNQCLSA-N 1 0 269.410 2.389 10 0 CEAERO Cc1nnc(S[C@H]2CC(C)(C)CC[C@H]2[NH3+])n1C ZINC000081886196 177877599 /nfs/dbraw/zinc/87/75/99/177877599.db2.gz KEDQEWYTUMHAIH-ZJUUUORDSA-N 1 0 254.403 2.122 10 0 CEAERO C[NH2+][C@@H](c1ccccc1)[C@H](C)Sc1nncn1C ZINC000081881927 177876452 /nfs/dbraw/zinc/87/64/52/177876452.db2.gz XFCZMNJACTZITN-CMPLNLGQSA-N 1 0 262.382 2.256 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@@H]1Sc1nnc2ccccn21 ZINC000081880830 177875451 /nfs/dbraw/zinc/87/54/51/177875451.db2.gz KNHSTNYBSQRAFR-MNOVXSKESA-N 1 0 262.382 2.481 10 0 CEAERO CC1(C)CC[C@@H]([NH3+])[C@@H](Sc2ncnc3[nH]cnc32)C1 ZINC000081876501 177871157 /nfs/dbraw/zinc/87/11/57/177871157.db2.gz FGCDIHHWYXQFPT-BDAKNGLRSA-N 1 0 277.397 2.351 10 0 CEAERO CC[NH2+][C@H]1CCOC[C@H]1Sc1ncnc2ccccc21 ZINC000081876337 177870998 /nfs/dbraw/zinc/87/09/98/177870998.db2.gz VWCUTSCRQNVENV-UONOGXRCSA-N 1 0 289.404 2.489 10 0 CEAERO C[C@H](CS(C)(=O)=O)[NH2+][C@H]1CCCCc2ccccc21 ZINC000081902013 177885511 /nfs/dbraw/zinc/88/55/11/177885511.db2.gz ZETVJIVSQJCZLD-DOMZBBRYSA-N 1 0 281.421 2.477 10 0 CEAERO CCC[NH2+][C@@H]1CCCC[C@H]1SCCS(C)(=O)=O ZINC000081769135 177856888 /nfs/dbraw/zinc/85/68/88/177856888.db2.gz FGDHTRXDDIZHQB-VXGBXAGGSA-N 1 0 279.471 2.075 10 0 CEAERO CC[NH2+][C@@H]1CCC[C@H]1Sc1nnnn1C1CCCC1 ZINC000081866634 177866663 /nfs/dbraw/zinc/86/66/63/177866663.db2.gz GHGJWYZFCBVQLL-VXGBXAGGSA-N 1 0 281.429 2.411 10 0 CEAERO O=C([C@@H]1CCCCC[NH2+]1)N1CCC[C@@H]1c1ccc[nH]1 ZINC000080996714 177751774 /nfs/dbraw/zinc/75/17/74/177751774.db2.gz YWWPNTJWXUGKPE-UONOGXRCSA-N 1 0 261.369 2.210 10 0 CEAERO C[C@@H](OCC1([NH3+])CCCC1)C(=O)NC1CCCCC1 ZINC000080837965 177713995 /nfs/dbraw/zinc/71/39/95/177713995.db2.gz RVQFXFMLOQJXRA-GFCCVEGCSA-N 1 0 268.401 2.112 10 0 CEAERO CCC[NH2+][C@@H](C)CCc1nc([C@H](C)OCC)no1 ZINC000080744936 177697635 /nfs/dbraw/zinc/69/76/35/177697635.db2.gz RELPNJCBVWFJBE-QWRGUYRKSA-N 1 0 255.362 2.488 10 0 CEAERO CC[C@@H]1CC[C@](CN)([N@H+](CCOC)CC(C)C)C1 ZINC000080464560 177654017 /nfs/dbraw/zinc/65/40/17/177654017.db2.gz OTHINGKXSUWXDA-CABCVRRESA-N 1 0 256.434 2.498 10 0 CEAERO CC[C@@]1(C(=O)N(CC2CC2)C2CC2)CCC[NH2+]C1 ZINC000080367562 177645856 /nfs/dbraw/zinc/64/58/56/177645856.db2.gz DYUJOYUEVIIJAO-OAHLLOKOSA-N 1 0 250.386 2.167 10 0 CEAERO CC(C)NC(=O)CCn1ccc2c1cccc2C[NH3+] ZINC000080334986 177643037 /nfs/dbraw/zinc/64/30/37/177643037.db2.gz RWXMKLLIIPOMKC-UHFFFAOYSA-N 1 0 259.353 2.015 10 0 CEAERO C[C@H](NC(=O)CC[C@@H]1CCCC[NH2+]1)c1nccs1 ZINC000080270765 177634699 /nfs/dbraw/zinc/63/46/99/177634699.db2.gz OZNLVKRYIBCBTJ-QWRGUYRKSA-N 1 0 267.398 2.243 10 0 CEAERO COC[C@H](C)[N@@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000185995901 285341753 /nfs/dbraw/zinc/34/17/53/285341753.db2.gz NOMRAJYLTQOSAR-FQUUOJAGSA-N 1 0 298.427 2.256 10 0 CEAERO CCC[NH+](CCC)CC[C@H]1CCC[C@@]1([NH2+]C)C(=O)[O-] ZINC000093584783 184693286 /nfs/dbraw/zinc/69/32/86/184693286.db2.gz YUMUPGZSXDSUGG-HIFRSBDPSA-N 1 0 270.417 2.341 10 0 CEAERO CCOc1cccc(OCC[C@H]2CCC[C@@]2([NH3+])CO)c1 ZINC000093619200 184696759 /nfs/dbraw/zinc/69/67/59/184696759.db2.gz PGYGVLPBFXRWFV-CZUORRHYSA-N 1 0 279.380 2.344 10 0 CEAERO Cc1ccc(S(=O)(=O)CC[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000093622831 184697620 /nfs/dbraw/zinc/69/76/20/184697620.db2.gz XSXVXHLIJHWPCH-JSGCOSHPSA-N 1 0 267.394 2.286 10 0 CEAERO c1nnc(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1-c1ccccc1 ZINC000093682401 184706065 /nfs/dbraw/zinc/70/60/65/184706065.db2.gz AULHDUJZIJEXGH-AGUYFDCRSA-N 1 0 268.364 2.340 10 0 CEAERO COCC[NH2+]C[C@@H](C)c1c(C)nc([C@H](C)OC)nc1C ZINC000093693006 184707124 /nfs/dbraw/zinc/70/71/24/184707124.db2.gz UPRNBWAADWCOCX-MFKMUULPSA-N 1 0 281.400 2.140 10 0 CEAERO CCC[NH2+][C@H](Cc1c(Cl)c(C)nn1C)[C@@H](C)OC ZINC000093691448 184707246 /nfs/dbraw/zinc/70/72/46/184707246.db2.gz LPWHGGAWDPBJGR-GHMZBOCLSA-N 1 0 273.808 2.328 10 0 CEAERO CCCN[C@]1(C(N)=O)CCC[C@H]([NH+](CCC)CCC)C1 ZINC000093749170 184713239 /nfs/dbraw/zinc/71/32/39/184713239.db2.gz VADAMSPGAOQAHA-GOEBONIOSA-N 1 0 283.460 2.275 10 0 CEAERO Cc1nnc(S[C@@H]2CCC[C@@](CO)([NH2+]C3CC3)C2)s1 ZINC000093786901 184721965 /nfs/dbraw/zinc/72/19/65/184721965.db2.gz YLUSHJALZGXBOO-DGCLKSJQSA-N 1 0 299.465 2.364 10 0 CEAERO CCc1ccc(C[C@H]([NH2+]C)[C@H]2CN(CC)CCO2)s1 ZINC000093914395 184741337 /nfs/dbraw/zinc/74/13/37/184741337.db2.gz WACOEEWLPOIDJY-LSDHHAIUSA-N 1 0 282.453 2.162 10 0 CEAERO CC1(C)C([NH3+])C(C)(C)C1NC(=O)Cc1ccccc1 ZINC000094006059 184749220 /nfs/dbraw/zinc/74/92/20/184749220.db2.gz OMJNSYHXBRPBCX-UHFFFAOYSA-N 1 0 260.381 2.107 10 0 CEAERO COC(=O)c1cc(NCC2CC[NH2+]CC2)ccc1F ZINC000094009933 184749806 /nfs/dbraw/zinc/74/98/06/184749806.db2.gz YJYWLAWIQSRTSM-UHFFFAOYSA-N 1 0 266.316 2.024 10 0 CEAERO CCN(CC1CC[NH2+]CC1)C(=O)NC1CCCCC1 ZINC000094023569 184751036 /nfs/dbraw/zinc/75/10/36/184751036.db2.gz VDNMXUHQUQPPGJ-UHFFFAOYSA-N 1 0 267.417 2.350 10 0 CEAERO CCCN(CC1CC[NH2+]CC1)S(=O)(=O)c1ccccc1 ZINC000094023995 184751215 /nfs/dbraw/zinc/75/12/15/184751215.db2.gz SSTGEFZFSDCPTE-UHFFFAOYSA-N 1 0 296.436 2.087 10 0 CEAERO CC(C)N(CC1CC[NH2+]CC1)c1ncnc2c1CCC2 ZINC000094044240 184752711 /nfs/dbraw/zinc/75/27/11/184752711.db2.gz RJTGFNYDUQRODE-UHFFFAOYSA-N 1 0 274.412 2.180 10 0 CEAERO [NH3+]C1CCC(Nc2cccc(-c3nnco3)c2)CC1 ZINC000094075318 184754281 /nfs/dbraw/zinc/75/42/81/184754281.db2.gz SGFTYRVXLSCQMQ-UHFFFAOYSA-N 1 0 258.325 2.418 10 0 CEAERO C[NH2+][C@H](Cc1nc2ccccc2n1C)Cc1cccnc1 ZINC000094171098 184759060 /nfs/dbraw/zinc/75/90/60/184759060.db2.gz OETDHBYQVSDIKH-AWEZNQCLSA-N 1 0 280.375 2.342 10 0 CEAERO CCn1c(C[C@@H]([NH2+]C)[C@@H]2CCOC2)nc2ccccc21 ZINC000094171588 184759067 /nfs/dbraw/zinc/75/90/67/184759067.db2.gz NWHPNULYZBMZLU-TZMCWYRMSA-N 1 0 273.380 2.223 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](Cc2ccccc2)CN1c1ccn(C)n1 ZINC000094197902 184762155 /nfs/dbraw/zinc/76/21/55/184762155.db2.gz FFXRFJNSNAQLPI-JKSUJKDBSA-N 1 0 284.407 2.220 10 0 CEAERO CC[C@@](C)([NH3+])CN1CCc2cc(OC)c(OC)cc2C1 ZINC000094239233 184767957 /nfs/dbraw/zinc/76/79/57/184767957.db2.gz WKJRJBHXLYYFLW-MRXNPFEDSA-N 1 0 278.396 2.189 10 0 CEAERO C[NH2+][C@@H]1[C@@H](Sc2n[nH]c(=O)n2C2CC2)CCCC1(C)C ZINC000094283909 184775279 /nfs/dbraw/zinc/77/52/79/184775279.db2.gz OEFYJGGGWSJRTP-WDEREUQCSA-N 1 0 296.440 2.165 10 0 CEAERO Cc1ccccc1CS(=O)(=O)[C@H]1CCC(C)(C)[C@H]1[NH3+] ZINC000094311528 184778271 /nfs/dbraw/zinc/77/82/71/184778271.db2.gz UWIGABKQWPJPPH-KBPBESRZSA-N 1 0 281.421 2.426 10 0 CEAERO C[NH+](C)CC(C)(C)CNc1nc2ccc(N)cc2o1 ZINC000094352901 184787192 /nfs/dbraw/zinc/78/71/92/184787192.db2.gz YWPYAVKUPHRRGZ-UHFFFAOYSA-N 1 0 262.357 2.410 10 0 CEAERO OCC1([NH2+][C@@H]2CCO[C@]3(CCSC3)C2)CCCCC1 ZINC000094371976 184790910 /nfs/dbraw/zinc/79/09/10/184790910.db2.gz KOYDKOVAWDTWRT-UKRRQHHQSA-N 1 0 285.453 2.326 10 0 CEAERO OC1([C@H]2CCOC3(CCCCC3)C2)CC[NH2+]CC1 ZINC000094385892 184792235 /nfs/dbraw/zinc/79/22/35/184792235.db2.gz YSIGKTNYFSMNIY-ZDUSSCGKSA-N 1 0 253.386 2.230 10 0 CEAERO CC[NH2+][C@H](CN(C)C)[C@@H]1CCOC2(CCCC2)C1 ZINC000094407418 184793985 /nfs/dbraw/zinc/79/39/85/184793985.db2.gz IJVBLRKCONWQFC-ZIAGYGMSSA-N 1 0 254.418 2.266 10 0 CEAERO CCC[NH2+][C@H]([C@@H]1CCOC2(CCC2)C1)[C@@H]1COCCO1 ZINC000094405504 184794168 /nfs/dbraw/zinc/79/41/68/184794168.db2.gz LNGJZPWDUDSPSJ-QLFBSQMISA-N 1 0 283.412 2.119 10 0 CEAERO c1nn([C@H]2CCO[C@]3(CCSC3)C2)cc1C[NH2+]C1CC1 ZINC000094412569 184794368 /nfs/dbraw/zinc/79/43/68/184794368.db2.gz LWHFVSPGCZSHLQ-LSDHHAIUSA-N 1 0 293.436 2.362 10 0 CEAERO CC[NH2+]Cc1c(C)nn([C@H]2CCO[C@@]3(CCOC3)C2)c1C ZINC000094412459 184794596 /nfs/dbraw/zinc/79/45/96/184794596.db2.gz BZLCVWZUIXGDKW-HOCLYGCPSA-N 1 0 293.411 2.120 10 0 CEAERO OCC[C@@H]1CCCC[N@@H+]1[C@@H]1CCOC2(CCC2)C1 ZINC000094410890 184794660 /nfs/dbraw/zinc/79/46/60/184794660.db2.gz IQGZUMSYLYWHNQ-UONOGXRCSA-N 1 0 253.386 2.325 10 0 CEAERO CCC[NH2+]C[C@H](O)[C@@H]1CCOC2(CCSCC2)C1 ZINC000094418446 184795067 /nfs/dbraw/zinc/79/50/67/184795067.db2.gz QIJAYBSRTDXESO-OLZOCXBDSA-N 1 0 273.442 2.039 10 0 CEAERO Cc1cc(-n2ccc(C(=O)N(C)C)n2)c([C@H](C)[NH3+])cc1F ZINC000094767217 184856505 /nfs/dbraw/zinc/85/65/05/184856505.db2.gz DHBDMUDFBYASMB-JTQLQIEISA-N 1 0 290.342 2.041 10 0 CEAERO C[NH2+][C@H](Cc1nn(C)c2ccccc12)[C@]1(C)CCCO1 ZINC000094783405 184862834 /nfs/dbraw/zinc/86/28/34/184862834.db2.gz ASJFBDKEFGRGFA-CVEARBPZSA-N 1 0 273.380 2.273 10 0 CEAERO CCC1(c2nc([C@@]3(C)CCCO3)no2)CC[NH2+]CC1 ZINC000094781071 184862997 /nfs/dbraw/zinc/86/29/97/184862997.db2.gz UROFPUYJKOHSIK-CYBMUJFWSA-N 1 0 265.357 2.126 10 0 CEAERO C[NH2+][C@H](Cc1ccn(C(C)C)n1)[C@@]1(C)CCCO1 ZINC000094783299 184863302 /nfs/dbraw/zinc/86/33/02/184863302.db2.gz RNVLRRWARIYGAL-ZIAGYGMSSA-N 1 0 251.374 2.164 10 0 CEAERO Cc1nc([C@@]2(C)CCCO2)nc(C)c1C[C@@H](C)C[NH3+] ZINC000094785781 184863785 /nfs/dbraw/zinc/86/37/85/184863785.db2.gz BKHUMWFBENGVTG-MEBBXXQBSA-N 1 0 263.385 2.256 10 0 CEAERO CC(C)(C)[NH2+]CCc1nnc([C@]2(C)CCCO2)s1 ZINC000094793058 184865696 /nfs/dbraw/zinc/86/56/96/184865696.db2.gz XZFCVUGSTPAECH-ZDUSSCGKSA-N 1 0 269.414 2.494 10 0 CEAERO C[C@H]1SCCC[C@@H]1[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC000094477678 184807921 /nfs/dbraw/zinc/80/79/21/184807921.db2.gz XFQGALWILCISCR-RISCZKNCSA-N 1 0 282.453 2.261 10 0 CEAERO CC1(C)CCSC[C@H]1[NH2+]CCC(=O)N1CCCC1 ZINC000094481775 184808855 /nfs/dbraw/zinc/80/88/55/184808855.db2.gz ATILJMKLIOXYAV-GFCCVEGCSA-N 1 0 270.442 2.120 10 0 CEAERO CC(C)[NH2+]Cc1cnc([C@H]2CSCCS2)nc1 ZINC000094500107 184810656 /nfs/dbraw/zinc/81/06/56/184810656.db2.gz HOGQDHXBSLBCBX-LLVKDONJSA-N 1 0 269.439 2.496 10 0 CEAERO CCC[NH2+][C@H](Cc1ccncc1)[C@@H]1CSCCO1 ZINC000094504962 184812021 /nfs/dbraw/zinc/81/20/21/184812021.db2.gz KCAAZUHOCKMKSG-KGLIPLIRSA-N 1 0 266.410 2.124 10 0 CEAERO C[NH2+]CC(=O)NC12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000094544512 184815925 /nfs/dbraw/zinc/81/59/25/184815925.db2.gz GTROLOAFJJIYAW-LCBVDAKKSA-N 1 0 250.386 2.071 10 0 CEAERO C[C@@H]1C[C@@H]([NH3+])CN(CC(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000094552375 184816350 /nfs/dbraw/zinc/81/63/50/184816350.db2.gz ZKMDGJOVYJFTKR-NXEZZACHSA-N 1 0 299.777 2.087 10 0 CEAERO Cc1cc(Cl)ccc1NC(=O)[C@H]1CC[C@H](C[NH3+])O1 ZINC000094564700 184818693 /nfs/dbraw/zinc/81/86/93/184818693.db2.gz LYUKKOIMBFHGLL-ZYHUDNBSSA-N 1 0 268.744 2.093 10 0 CEAERO CC[NH+]1CCC(CNc2nc3c(C)cccn3n2)CC1 ZINC000094604841 184825003 /nfs/dbraw/zinc/82/50/03/184825003.db2.gz VHGNUJGWYVQBQQ-UHFFFAOYSA-N 1 0 273.384 2.182 10 0 CEAERO C[C@H]([NH3+])[C@H]1CCCCN1c1nc2ccc(Cl)cn2n1 ZINC000094607994 184825381 /nfs/dbraw/zinc/82/53/81/184825381.db2.gz JIFYOZIQVCKJOZ-GXSJLCMTSA-N 1 0 279.775 2.089 10 0 CEAERO CC[C@]([NH3+])(C(C)C)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094640208 184832125 /nfs/dbraw/zinc/83/21/25/184832125.db2.gz KIEHEPNSHHTTDU-AVGNSLFASA-N 1 0 261.431 2.353 10 0 CEAERO C[C@]([NH3+])(c1ccccc1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094640127 184832311 /nfs/dbraw/zinc/83/23/11/184832311.db2.gz SOHCSPDTAWEMBX-ILXRZTDVSA-N 1 0 281.421 2.464 10 0 CEAERO CCOc1ccccc1NC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000094646766 184833089 /nfs/dbraw/zinc/83/30/89/184833089.db2.gz UJJVMTWQZKCKTA-RYUDHWBXSA-N 1 0 262.353 2.412 10 0 CEAERO CCO[C@H](C)[C@H]([NH2+]C)c1cc(OC)cc(OC)c1 ZINC000094651176 184834851 /nfs/dbraw/zinc/83/48/51/184834851.db2.gz GRDVGQSKWJKNPC-YGRLFVJLSA-N 1 0 253.342 2.389 10 0 CEAERO CC[NH2+][C@@H](COCC)c1cc(OC)cc(OC)c1 ZINC000094651445 184835133 /nfs/dbraw/zinc/83/51/33/184835133.db2.gz KZNKXIFNRLAADG-AWEZNQCLSA-N 1 0 253.342 2.391 10 0 CEAERO Cc1ccc(C)c(CC(=O)N[C@@H]2CC[C@@H](C)[NH2+][C@@H]2C)c1 ZINC000094665376 184836585 /nfs/dbraw/zinc/83/65/85/184836585.db2.gz GHJJBPGSVIWPFX-IIAWOOMASA-N 1 0 274.408 2.491 10 0 CEAERO C[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1cccc(O)c1 ZINC000094690264 184839622 /nfs/dbraw/zinc/83/96/22/184839622.db2.gz RQNUWKSKQRBUAB-MLGOLLRUSA-N 1 0 260.381 2.355 10 0 CEAERO CC(C)C[C@H](C[NH3+])C(=O)N[C@H](C)CCc1ccc(O)cc1 ZINC000094697968 184842020 /nfs/dbraw/zinc/84/20/20/184842020.db2.gz NEXJNAVBOKHSLF-UKRRQHHQSA-N 1 0 292.423 2.451 10 0 CEAERO CC(C)C[NH2+]Cc1cnn(Cc2nccs2)c1 ZINC000094978799 184909851 /nfs/dbraw/zinc/90/98/51/184909851.db2.gz XZAAIXMJWDPBPT-UHFFFAOYSA-N 1 0 250.371 2.134 10 0 CEAERO CC(C)(C)c1csc(C[C@@]2(C[NH3+])CCC[C@@H]2O)n1 ZINC000094981838 184910179 /nfs/dbraw/zinc/91/01/79/184910179.db2.gz DYGICTBBWGFAOM-SMDDNHRTSA-N 1 0 268.426 2.473 10 0 CEAERO CCCCCC(C)(C)CNS(=O)(=O)[C@@H](C)C[NH2+]C ZINC000094996145 184912679 /nfs/dbraw/zinc/91/26/79/184912679.db2.gz IALROUNHAWQTGO-LBPRGKRZSA-N 1 0 278.462 2.120 10 0 CEAERO COc1ncccc1CO[C@@]1(C[NH3+])CC[C@H](C)C1 ZINC000095005577 184913877 /nfs/dbraw/zinc/91/38/77/184913877.db2.gz IGPAVALEXHUTFL-FZMZJTMJSA-N 1 0 250.342 2.124 10 0 CEAERO COc1ncccc1CN1CC2(CCCC2)[NH2+]C[C@H]1C ZINC000095011561 184915489 /nfs/dbraw/zinc/91/54/89/184915489.db2.gz KJHYJMFOCPMKHN-CYBMUJFWSA-N 1 0 275.396 2.197 10 0 CEAERO CCOCCCC(=O)N(CCC[NH3+])c1ccccc1 ZINC000095033441 184919755 /nfs/dbraw/zinc/91/97/55/184919755.db2.gz YRLRBTRRRIVVHW-UHFFFAOYSA-N 1 0 264.369 2.185 10 0 CEAERO C[C@H](C[NH3+])c1noc(Cc2c(F)cccc2F)n1 ZINC000095059022 184926929 /nfs/dbraw/zinc/92/69/29/184926929.db2.gz AIVWLWGCKGOABA-SSDOTTSWSA-N 1 0 253.252 2.001 10 0 CEAERO c1ccc2nc(OC[C@@H]3CCC[NH2+]3)c(NC3CC3)nc2c1 ZINC000095092667 184941615 /nfs/dbraw/zinc/94/16/15/184941615.db2.gz WRVSWMYFKPGHLB-LBPRGKRZSA-N 1 0 284.363 2.335 10 0 CEAERO COC(=O)[C@H](C[N@H+](CC(C)C)C1CCCC1)NC1CC1 ZINC000094851361 184880700 /nfs/dbraw/zinc/88/07/00/184880700.db2.gz VWXKIQOOIXNTOC-HNNXBMFYSA-N 1 0 282.428 2.181 10 0 CEAERO CC1CCC(C[NH3+])(NC(=O)NC2CCCC2)CC1 ZINC000094890195 184888598 /nfs/dbraw/zinc/88/85/98/184888598.db2.gz XKRAJHJQZWNIAC-UHFFFAOYSA-N 1 0 253.390 2.136 10 0 CEAERO Cc1ccc(C(=O)NC[C@H]2CCCC[C@@H]2[NH3+])c(F)c1 ZINC000094925452 184894741 /nfs/dbraw/zinc/89/47/41/184894741.db2.gz ZDGWEYQBWYVXKD-RISCZKNCSA-N 1 0 264.344 2.381 10 0 CEAERO CC[NH2+][C@@H](C)[C@H](c1nc(-c2ncc[nH]2)no1)C(C)C ZINC000094940735 184898761 /nfs/dbraw/zinc/89/87/61/184898761.db2.gz NRAWRLYGWDMWHO-VHSXEESVSA-N 1 0 263.345 2.197 10 0 CEAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N2CCOCC2)cc1F ZINC000094955540 184902514 /nfs/dbraw/zinc/90/25/14/184902514.db2.gz NMOSBFNVXGNINF-STQMWFEESA-N 1 0 294.370 2.032 10 0 CEAERO Cc1cc(F)ccc1CCNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000094956010 184903918 /nfs/dbraw/zinc/90/39/18/184903918.db2.gz FJUGIPNMZVUVPF-ZFWWWQNUSA-N 1 0 278.371 2.168 10 0 CEAERO CC(C)[NH2+]C[C@@H]1CCCN(Cc2nccs2)C1 ZINC000094967533 184907323 /nfs/dbraw/zinc/90/73/23/184907323.db2.gz SRYJVLBYKNIXMR-LBPRGKRZSA-N 1 0 253.415 2.353 10 0 CEAERO c1cnnc(N2CCC[C@H]([NH2+]C[C@@H]3CC=CCC3)C2)c1 ZINC000246725745 131097418 /nfs/dbraw/zinc/09/74/18/131097418.db2.gz OIJDUMCMTQUWPJ-CABCVRRESA-N 1 0 272.396 2.391 10 0 CEAERO Cc1ccc(NC(=O)[C@@H]([NH3+])C2CCOCC2)c2cccnc12 ZINC000262122871 131193052 /nfs/dbraw/zinc/19/30/52/131193052.db2.gz WIDHJGDYILPFDA-HNNXBMFYSA-N 1 0 299.374 2.236 10 0 CEAERO CCC[C@](C)([NH3+])C(=O)NCc1ccc(OCC2CC2)nc1 ZINC000262718836 131255343 /nfs/dbraw/zinc/25/53/43/131255343.db2.gz XMZPVTBXTQHPNJ-INIZCTEOSA-N 1 0 291.395 2.004 10 0 CEAERO CCC[C@](C)([NH3+])C(=O)N(C)Cc1ncc(C)c(OC)c1C ZINC000262720483 131255775 /nfs/dbraw/zinc/25/57/75/131255775.db2.gz ZHBVRVJKKLANAQ-INIZCTEOSA-N 1 0 293.411 2.183 10 0 CEAERO C[C@@H](C[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1)N1CCOCC1 ZINC000263165661 131284952 /nfs/dbraw/zinc/28/49/52/131284952.db2.gz PXQXMWZMNJMUQM-VNHYZAJKSA-N 1 0 278.396 2.213 10 0 CEAERO Cc1nc(-c2ccncc2)cc(N2CCC(C[NH3+])CC2)n1 ZINC000070456178 134442116 /nfs/dbraw/zinc/44/21/16/134442116.db2.gz ZDRSXJVTAYKITP-UHFFFAOYSA-N 1 0 283.379 2.022 10 0 CEAERO OCc1ccnc(N2CCC(C[NH+]3CCCC3)CC2)c1F ZINC000097869212 134514565 /nfs/dbraw/zinc/51/45/65/134514565.db2.gz FVIWUCQYHSJLFE-UHFFFAOYSA-N 1 0 293.386 2.025 10 0 CEAERO C[C@H]([NH3+])c1cc(F)ccc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000019872065 134711712 /nfs/dbraw/zinc/71/17/12/134711712.db2.gz RHFUVGUCOABWTM-AXFHLTTASA-N 1 0 252.333 2.459 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1N1CCN(c2ccc(Cl)cc2)CC1 ZINC000040989128 134875607 /nfs/dbraw/zinc/87/56/07/134875607.db2.gz ZRRBHKDSAUMXOL-GJZGRUSLSA-N 1 0 279.815 2.342 10 0 CEAERO CC(C)[NH2+]Cc1ccccc1N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000042438244 134894101 /nfs/dbraw/zinc/89/41/01/134894101.db2.gz LZQFRQRIRDOJOH-DZGCQCFKSA-N 1 0 289.423 2.275 10 0 CEAERO COc1ccc(Nc2nccc(N3CCC([NH3+])CC3)n2)cc1 ZINC000070451254 134947914 /nfs/dbraw/zinc/94/79/14/134947914.db2.gz SHWWDAWGYDPBGL-UHFFFAOYSA-N 1 0 299.378 2.156 10 0 CEAERO CCOC(=O)c1ccc(N2C[C@H](C)[NH2+][C@@H](C)C2)cc1 ZINC000082051081 135004575 /nfs/dbraw/zinc/00/45/75/135004575.db2.gz HOONFTHLRKSAHN-RYUDHWBXSA-N 1 0 262.353 2.050 10 0 CEAERO CC[C@@H]1CN(c2ccc(F)c(OC)c2)[C@H](C)C[NH2+]1 ZINC000083393327 135018137 /nfs/dbraw/zinc/01/81/37/135018137.db2.gz YJGUOLKQSYPXFN-GHMZBOCLSA-N 1 0 252.333 2.411 10 0 CEAERO COc1ccc(OC)c(N2CC[NH2+][C@@H](C(C)C)C2)c1 ZINC000083479370 135023878 /nfs/dbraw/zinc/02/38/78/135023878.db2.gz KXTKRIBDVNEHPE-CYBMUJFWSA-N 1 0 264.369 2.138 10 0 CEAERO CC(C)([NH3+])CCN1CCN(c2ccccc2F)CC1 ZINC000084188222 135032264 /nfs/dbraw/zinc/03/22/64/135032264.db2.gz REAPPLNAPJURAR-UHFFFAOYSA-N 1 0 265.376 2.075 10 0 CEAERO CC[NH2+][C@](C)(CO)CCN1CCCc2ccccc21 ZINC000085238991 135035560 /nfs/dbraw/zinc/03/55/60/135035560.db2.gz SHCWYWRXTYTHIL-INIZCTEOSA-N 1 0 262.397 2.190 10 0 CEAERO C[C@H]1C[NH2+][C@H](Cc2ccccc2)CN1c1cccnc1 ZINC000086151470 135039222 /nfs/dbraw/zinc/03/92/22/135039222.db2.gz NJVYOBVIKBVUQU-GOEBONIOSA-N 1 0 267.376 2.491 10 0 CEAERO COc1cc(OC)cc(N2CC(C)(C)[NH2+]C[C@@H]2C)c1 ZINC000086179221 135039861 /nfs/dbraw/zinc/03/98/61/135039861.db2.gz QBGREONDKSMQSU-NSHDSACASA-N 1 0 264.369 2.281 10 0 CEAERO C[C@@H]1Oc2ccccc2N(CCC(C)(C)C[NH3+])C1=O ZINC000087590803 135050916 /nfs/dbraw/zinc/05/09/16/135050916.db2.gz JNCYYAWQWVOQRS-NSHDSACASA-N 1 0 262.353 2.176 10 0 CEAERO Cc1nnc(N2CCC[C@H]3CCC[C@@H]32)c(C[NH3+])c1C ZINC000087766654 135051684 /nfs/dbraw/zinc/05/16/84/135051684.db2.gz RALXXMFGKGEPAF-OCCSQVGLSA-N 1 0 260.385 2.321 10 0 CEAERO C[C@@H]1CN(c2c3nsnc3ccc2Cl)CC[NH2+]1 ZINC000088128485 135052451 /nfs/dbraw/zinc/05/24/51/135052451.db2.gz VSANGUDOEZXPSF-SSDOTTSWSA-N 1 0 268.773 2.143 10 0 CEAERO NC(=[NH2+])c1ccc(N2CCC[C@H](C(F)(F)F)C2)nc1 ZINC000088421394 135054964 /nfs/dbraw/zinc/05/49/64/135054964.db2.gz NLBSWRRYKZWOLE-VIFPVBQESA-N 1 0 272.274 2.144 10 0 CEAERO CCc1cc(N2C[C@H](CC)[NH2+]C[C@@H]2CC)nc(C)n1 ZINC000088760667 135057200 /nfs/dbraw/zinc/05/72/00/135057200.db2.gz YJOZLZGIASIDBM-KBPBESRZSA-N 1 0 262.401 2.314 10 0 CEAERO C[C@@H]1CN(c2ccc(OC(F)(F)F)cn2)C[C@H](C)[NH2+]1 ZINC000090733393 135064202 /nfs/dbraw/zinc/06/42/02/135064202.db2.gz IXGCULCLSTWHFP-DTORHVGOSA-N 1 0 275.274 2.167 10 0 CEAERO CC[NH2+]C[C@H]1CCCN(c2ncnc(OCC)c2C)C1 ZINC000090789886 135065655 /nfs/dbraw/zinc/06/56/55/135065655.db2.gz VKZVIKXJNHTYTI-CYBMUJFWSA-N 1 0 278.400 2.010 10 0 CEAERO CCOc1ncnc(N2CCC[C@@H](C[NH2+]C(C)C)C2)c1C ZINC000090789606 135065666 /nfs/dbraw/zinc/06/56/66/135065666.db2.gz BCNHRPJXPBZTSY-AWEZNQCLSA-N 1 0 292.427 2.398 10 0 CEAERO Cc1cc(C)c(C[NH2+]C2CC2)c(N2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000090907744 135066678 /nfs/dbraw/zinc/06/66/78/135066678.db2.gz IDGNWZYITYIVTK-GASCZTMLSA-N 1 0 287.407 2.318 10 0 CEAERO CCn1ccc(C[NH2+][C@@H]2CCCN(c3ncccn3)C2)c1 ZINC000091011543 135067160 /nfs/dbraw/zinc/06/71/60/135067160.db2.gz GFOJLHOPZCKMMG-OAHLLOKOSA-N 1 0 285.395 2.057 10 0 CEAERO C[C@@H]1CCc2ccccc2N1CC[C@@H]1C[NH2+]CCO1 ZINC000091313550 135067767 /nfs/dbraw/zinc/06/77/67/135067767.db2.gz PEPJUQBLCONSKD-UKRRQHHQSA-N 1 0 260.381 2.206 10 0 CEAERO C[NH+](C)[C@H]1CCCN(c2cccc(Cl)c2CO)C1 ZINC000091391571 135068500 /nfs/dbraw/zinc/06/85/00/135068500.db2.gz AMRDVXRJFUGRDS-NSHDSACASA-N 1 0 268.788 2.363 10 0 CEAERO C[C@@H](O)C(C)(C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000091405657 135068968 /nfs/dbraw/zinc/06/89/68/135068968.db2.gz MOPYBGJDYNBQMK-CQSZACIVSA-N 1 0 262.397 2.216 10 0 CEAERO CC[C@@H]1CO[C@H](C)CN1c1cncc(C[NH2+]C(C)(C)C)n1 ZINC000091420721 135069559 /nfs/dbraw/zinc/06/95/59/135069559.db2.gz TYQNVQJJWSCUMT-TZMCWYRMSA-N 1 0 292.427 2.368 10 0 CEAERO [NH3+]C[C@@]1(O)CCC[C@H]1CCN1CCCc2ccccc21 ZINC000093627105 135081614 /nfs/dbraw/zinc/08/16/14/135081614.db2.gz BYAOUKSGURGZCH-RDJZCZTQSA-N 1 0 274.408 2.319 10 0 CEAERO C[C@@H](O)c1ccc(N2CCC(C[NH+](C)C)CC2)cc1O ZINC000093672368 135081986 /nfs/dbraw/zinc/08/19/86/135081986.db2.gz KSHRCVDNXIIPNZ-GFCCVEGCSA-N 1 0 278.396 2.224 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1c1ncc(Cl)cc1F ZINC000094052526 135083322 /nfs/dbraw/zinc/08/33/22/135083322.db2.gz OAKSNOOMDSCAEN-SNVBAGLBSA-N 1 0 257.740 2.452 10 0 CEAERO Cc1cc(CO)ccc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094439821 135087663 /nfs/dbraw/zinc/08/76/63/135087663.db2.gz XLPHPWOMTCQCIR-OAHLLOKOSA-N 1 0 260.381 2.162 10 0 CEAERO NC(=[NH2+])c1ccc2[nH]c(Nc3nc4ccccc4[nH]3)nc2c1 ZINC000002017783 394452547 /nfs/dbraw/zinc/45/25/47/394452547.db2.gz ANAXDQKLUZENBR-UHFFFAOYSA-N 1 0 291.318 2.467 10 0 CEAERO CO[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1(C)C ZINC000224715743 394467555 /nfs/dbraw/zinc/46/75/55/394467555.db2.gz GBSWLEWGZDWNMG-YYHQMBLXSA-N 1 0 253.386 2.203 10 0 CEAERO Cc1nc(N2CC[C@H]([NH+](C)C)C2)ccc1Br ZINC000230078162 394477892 /nfs/dbraw/zinc/47/78/92/394477892.db2.gz DNCUNBNBJHAWCB-JTQLQIEISA-N 1 0 284.201 2.293 10 0 CEAERO [NH3+]C[C@@H]1CC[C@H](c2ccc(Br)cn2)O1 ZINC000306207701 394514664 /nfs/dbraw/zinc/51/46/64/394514664.db2.gz RAQDRLNCUNOWOD-WCBMZHEXSA-N 1 0 257.131 2.023 10 0 CEAERO CC[C@@H](C)[N@H+](C)CCNc1nccnc1C(C)C ZINC000413110708 394484500 /nfs/dbraw/zinc/48/45/00/394484500.db2.gz HZAAVCLTUSXAOT-GFCCVEGCSA-N 1 0 250.390 2.164 10 0 CEAERO CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000236787124 394487692 /nfs/dbraw/zinc/48/76/92/394487692.db2.gz BYZXMKRNNGEOAY-KBPBESRZSA-N 1 0 264.344 2.303 10 0 CEAERO CC(C)c1nccnc1N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000413167043 394496567 /nfs/dbraw/zinc/49/65/67/394496567.db2.gz HOVVGPYKMXGQJM-QWHCGFSZSA-N 1 0 262.401 2.307 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCc2cccc(F)c2)C1 ZINC000052522237 394557994 /nfs/dbraw/zinc/55/79/94/394557994.db2.gz RFUBSRVOXDOYNF-CQSZACIVSA-N 1 0 279.359 2.109 10 0 CEAERO CN(Cc1ccc(F)c(F)c1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054307844 394560198 /nfs/dbraw/zinc/56/01/98/394560198.db2.gz MTXYZLYAKYLYSQ-LLVKDONJSA-N 1 0 282.334 2.313 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCSCC[C@H]2C)C1 ZINC000253281264 394576874 /nfs/dbraw/zinc/57/68/74/394576874.db2.gz WODUGIDHADTUIZ-MGPQQGTHSA-N 1 0 299.484 2.252 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(F)cc2)C1 ZINC000048768910 394528256 /nfs/dbraw/zinc/52/82/56/394528256.db2.gz HIGMSVDLWORTMI-AWEZNQCLSA-N 1 0 279.359 2.109 10 0 CEAERO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CC1CC(O)C1 ZINC000091423977 394656873 /nfs/dbraw/zinc/65/68/73/394656873.db2.gz GCIUSBBKDUMWBO-UHFFFAOYSA-N 1 0 285.391 2.350 10 0 CEAERO CC[C@H](CSC)[N@H+](C)C[C@H](O)COC(C)(C)C ZINC000091097259 394657113 /nfs/dbraw/zinc/65/71/13/394657113.db2.gz HEZOANIWAQPXOZ-NEPJUHHUSA-N 1 0 263.447 2.236 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]2CN(c3cncc(Br)c3)C[C@H]21 ZINC000261548226 394602165 /nfs/dbraw/zinc/60/21/65/394602165.db2.gz JCXUPGAQFIAOFK-OASPWFOLSA-N 1 0 296.212 2.408 10 0 CEAERO C[C@H]1CCC[C@H]([NH2+]C2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)C1 ZINC000263523464 394628693 /nfs/dbraw/zinc/62/86/93/394628693.db2.gz SERAHGUATYDTCD-IQAUEXFUSA-N 1 0 294.439 2.482 10 0 CEAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)OC(C)(C)C ZINC000082725355 394640675 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CC[C@H](C)NC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000344141289 395050471 /nfs/dbraw/zinc/05/04/71/395050471.db2.gz LPXKFSFUSVIHHL-YNEHKIRRSA-N 1 0 253.390 2.053 10 0 CEAERO Cc1cc(N[C@H]2CCC[NH2+]C2)ncc1Br ZINC000163957275 395085056 /nfs/dbraw/zinc/08/50/56/395085056.db2.gz BLUXGEWABPTFIG-VIFPVBQESA-N 1 0 270.174 2.316 10 0 CEAERO CC(C)COc1cccc(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000423954762 395033843 /nfs/dbraw/zinc/03/38/43/395033843.db2.gz OIZILGFKIGENSH-IUODEOHRSA-N 1 0 276.380 2.141 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000261723498 289040776 /nfs/dbraw/zinc/04/07/76/289040776.db2.gz KLEGYMVRPCEXRB-RDDDGLTNSA-N 1 0 290.260 2.406 10 0 CEAERO CC[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1C[C@H](OC)C1CC1 ZINC000381182959 395172956 /nfs/dbraw/zinc/17/29/56/395172956.db2.gz IXLRGTDIIKJJJE-OAGGEKHMSA-N 1 0 266.429 2.360 10 0 CEAERO Cc1ccc(Br)c(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC000310248029 292042593 /nfs/dbraw/zinc/04/25/93/292042593.db2.gz CYVDFKGPWHJCGQ-BXKDBHETSA-N 1 0 297.196 2.319 10 0 CEAERO CC(C)C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccccn1 ZINC000180495065 395203720 /nfs/dbraw/zinc/20/37/20/395203720.db2.gz JMWBITDVNFKGIG-GOEBONIOSA-N 1 0 277.412 2.089 10 0 CEAERO [NH3+]CC[C@@H](Nc1ccc(C(F)(F)F)cn1)C(F)F ZINC000394829018 395211862 /nfs/dbraw/zinc/21/18/62/395211862.db2.gz YTUBLJATLAOFPE-SSDOTTSWSA-N 1 0 269.217 2.495 10 0 CEAERO COc1ccc([C@H](C)N[C@H]2CCC[NH2+][C@@H]2C)cc1OC ZINC000396558100 395216448 /nfs/dbraw/zinc/21/64/48/395216448.db2.gz IYQSUBPSDRWYSB-SCRDCRAPSA-N 1 0 278.396 2.495 10 0 CEAERO CC(C)c1nc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)cs1 ZINC000440952166 395368594 /nfs/dbraw/zinc/36/85/94/395368594.db2.gz JLDGHQUPUMWKIU-ONGXEEELSA-N 1 0 267.398 2.023 10 0 CEAERO CCCCOC[C@@H](O)CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000195175127 395461495 /nfs/dbraw/zinc/46/14/95/395461495.db2.gz DDIDTUDWZIQMKL-SJORKVTESA-N 1 0 298.471 2.114 10 0 CEAERO CCCCOC[C@H](O)C[N@H+](Cc1cccnc1)C1CC1 ZINC000195202821 395462137 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CC(C)C[C@@H]([NH3+])C(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000037008028 400112436 /nfs/dbraw/zinc/11/24/36/400112436.db2.gz IFHFEGFJMVVDAT-SNVBAGLBSA-N 1 0 298.770 2.423 10 0 CEAERO C[NH+](C)[C@@H]1CCN(Cc2ccc(Br)o2)C1 ZINC000307253421 400338777 /nfs/dbraw/zinc/33/87/77/400338777.db2.gz VFEKXGPIFMACGL-SECBINFHSA-N 1 0 273.174 2.178 10 0 CEAERO Oc1cccc2c1CC[C@H]2[NH2+]CCc1cnccn1 ZINC000390194512 400540910 /nfs/dbraw/zinc/54/09/10/400540910.db2.gz KHWPBHOFNCCYCH-CQSZACIVSA-N 1 0 255.321 2.002 10 0 CEAERO C[C@H]1CC[C@H](O)CN1Cc1cc2c(c(Cl)c1)OCO2 ZINC000399269307 400564194 /nfs/dbraw/zinc/56/41/94/400564194.db2.gz WHZZCNHESHRKJL-ONGXEEELSA-N 1 0 283.755 2.414 10 0 CEAERO [NH3+][C@H]1COC[C@@H]1Cc1cc(Br)cs1 ZINC000575468302 400610619 /nfs/dbraw/zinc/61/06/19/400610619.db2.gz QHFHIWCYLJSOPS-RCOVLWMOSA-N 1 0 262.172 2.027 10 0 CEAERO FC(F)(F)[C@@H]1C[NH2+]C[C@H]1c1nc(-c2ccco2)no1 ZINC000650228849 400841729 /nfs/dbraw/zinc/84/17/29/400841729.db2.gz ITCHQESQZKAPJA-RNFRBKRXSA-N 1 0 273.214 2.195 10 0 CEAERO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)COC(C)(C)C)C12CCC2 ZINC000120821018 286247323 /nfs/dbraw/zinc/24/73/23/286247323.db2.gz CWSTUVGIUMNCCW-RRFJBIMHSA-N 1 0 299.455 2.442 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2scnc2C(C)(C)C)C1 ZINC000176751047 289316851 /nfs/dbraw/zinc/31/68/51/289316851.db2.gz FMGLCWDWOXQHKH-SNVBAGLBSA-N 1 0 281.425 2.217 10 0 CEAERO CCO[C@@H]1C[C@H]([N@H+](C)C[C@H](O)COC(C)(C)C)C1(C)C ZINC000133129619 286333113 /nfs/dbraw/zinc/33/31/13/286333113.db2.gz WLNGWZGOBZMGMX-MELADBBJSA-N 1 0 287.444 2.298 10 0 CEAERO Cc1ccc([C@H]2OCCC[C@H]2C(=O)NCC(C)(C)[NH3+])cc1 ZINC000262596528 292279014 /nfs/dbraw/zinc/27/90/14/292279014.db2.gz KZZCLCWASVUCRO-HUUCEWRRSA-N 1 0 290.407 2.316 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cc2ccccc2o1 ZINC000189306526 153088328 /nfs/dbraw/zinc/08/83/28/153088328.db2.gz HVQCWJZNKGQGOV-CMPLNLGQSA-N 1 0 258.321 2.303 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cccc2ncccc21 ZINC000189304528 153090623 /nfs/dbraw/zinc/09/06/23/153090623.db2.gz YSVUZMVFFLREBN-RISCZKNCSA-N 1 0 269.348 2.105 10 0 CEAERO CCC(C)(C)CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000190745939 153144066 /nfs/dbraw/zinc/14/40/66/153144066.db2.gz MFZPYTUWHINFCK-QWHCGFSZSA-N 1 0 267.417 2.301 10 0 CEAERO CCOC[C@H](NC(=O)N(C)C[C@H]1CCC[N@@H+]1CC)C(C)C ZINC000191798039 153189580 /nfs/dbraw/zinc/18/95/80/153189580.db2.gz VJRLOBRFKYVYQG-CABCVRRESA-N 1 0 299.459 2.173 10 0 CEAERO c1cnn(CC2CC[NH+](CCO[C@@H]3CCCCO3)CC2)c1 ZINC000193050887 153227336 /nfs/dbraw/zinc/22/73/36/153227336.db2.gz NHWZGEGAOODUST-MRXNPFEDSA-N 1 0 293.411 2.138 10 0 CEAERO CSC1(CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CCC1 ZINC000195098339 153276916 /nfs/dbraw/zinc/27/69/16/153276916.db2.gz DOIIMAZZZBZYDY-CYBMUJFWSA-N 1 0 297.468 2.152 10 0 CEAERO O=C(Cc1noc2ccccc21)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195083836 153278858 /nfs/dbraw/zinc/27/88/58/153278858.db2.gz FUFYXANRFDUASV-ZDUSSCGKSA-N 1 0 299.374 2.067 10 0 CEAERO O=C(CCc1cccc(F)c1F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195190371 153284320 /nfs/dbraw/zinc/28/43/20/153284320.db2.gz HCNIHVMADKXICA-ZDUSSCGKSA-N 1 0 294.345 2.204 10 0 CEAERO O=C(c1ccc2ncccc2c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195450696 153287715 /nfs/dbraw/zinc/28/77/15/153287715.db2.gz LZKOORIFWHKRQF-OAHLLOKOSA-N 1 0 281.359 2.155 10 0 CEAERO Cc1nc(C)c(C[NH2+][C@H]2CCCC[C@H]2CO)s1 ZINC000219001400 153300616 /nfs/dbraw/zinc/30/06/16/153300616.db2.gz ZUZZDKOAZLPXGV-RYUDHWBXSA-N 1 0 254.399 2.401 10 0 CEAERO C[C@@H]1C[C@H](C)[N@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000226167777 153330833 /nfs/dbraw/zinc/33/08/33/153330833.db2.gz CEJMSNYZUGISRL-IJEWVQPXSA-N 1 0 263.381 2.294 10 0 CEAERO Cc1ccc(C)c(OCC[N@@H+]2CC[C@@H](CCO)C2)c1 ZINC000227568436 153347775 /nfs/dbraw/zinc/34/77/75/153347775.db2.gz VNEZMAIMMKICSZ-HNNXBMFYSA-N 1 0 263.381 2.387 10 0 CEAERO Cc1cnc([C@@H](C)N[C@@H](C)C(=O)N2CCCCCC2)o1 ZINC000230644136 153394106 /nfs/dbraw/zinc/39/41/06/153394106.db2.gz PSTFLGDJUKRFOS-OLZOCXBDSA-N 1 0 279.384 2.425 10 0 CEAERO Cc1ccc(C[NH2+][C@@H]2CCCNC2=O)cc1Cl ZINC000235854520 153444349 /nfs/dbraw/zinc/44/43/49/153444349.db2.gz ABTJQUORGCULDF-GFCCVEGCSA-N 1 0 252.745 2.017 10 0 CEAERO CCCC(O)(CCC)CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000246968440 153585045 /nfs/dbraw/zinc/58/50/45/153585045.db2.gz VHRANLUWNUORQS-HUUCEWRRSA-N 1 0 296.455 2.403 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(OC)cc1 ZINC000246969534 153588027 /nfs/dbraw/zinc/58/80/27/153588027.db2.gz NLENPASEMQBVLU-CABCVRRESA-N 1 0 288.391 2.394 10 0 CEAERO CN1CCO[C@H](C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000253133018 153741760 /nfs/dbraw/zinc/74/17/60/153741760.db2.gz XLNNGAIOVOIJPQ-RCCFBDPRSA-N 1 0 288.435 2.318 10 0 CEAERO C[C@H](CC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)C(C)(C)C ZINC000261568799 153763152 /nfs/dbraw/zinc/76/31/52/153763152.db2.gz JKTWMZVJRQXZOM-VOAKCMCISA-N 1 0 252.402 2.254 10 0 CEAERO CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261717065 153813783 /nfs/dbraw/zinc/81/37/83/153813783.db2.gz JUROTOFKMATAGF-TUVASFSCSA-N 1 0 296.455 2.319 10 0 CEAERO C[NH2+][C@@H](C)Cc1noc([C@H]2CCc3ccccc32)n1 ZINC000261791792 153838121 /nfs/dbraw/zinc/83/81/21/153838121.db2.gz OPXQAUXDXTUUNX-GWCFXTLKSA-N 1 0 257.337 2.298 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000261785203 153841221 /nfs/dbraw/zinc/84/12/21/153841221.db2.gz PWWDROUTQRVVMJ-SMDDNHRTSA-N 1 0 296.436 2.094 10 0 CEAERO CCc1cc2c(ncnc2N2CC[C@]3(CC[NH2+]C3)C2)s1 ZINC000261813865 153850207 /nfs/dbraw/zinc/85/02/07/153850207.db2.gz SOHXKEOKVAQMRJ-HNNXBMFYSA-N 1 0 288.420 2.444 10 0 CEAERO CCc1cc2c(ncnc2N2CC[C@H]3[NH2+]CC[C@@H]3C2)s1 ZINC000261811788 153850442 /nfs/dbraw/zinc/85/04/42/153850442.db2.gz SMDLINNGISGQMM-ZWNOBZJWSA-N 1 0 288.420 2.442 10 0 CEAERO Cc1nc(C(C)(C)NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])sc1C ZINC000261848814 153857195 /nfs/dbraw/zinc/85/71/95/153857195.db2.gz VQYQFJGJZAATQA-VXGBXAGGSA-N 1 0 295.452 2.486 10 0 CEAERO C[C@@H](CC(=O)N1CC[C@H]([NH3+])C(C)(C)C1)c1cccnc1 ZINC000261878545 153867575 /nfs/dbraw/zinc/86/75/75/153867575.db2.gz OYBWJPSPROFIAR-JSGCOSHPSA-N 1 0 275.396 2.161 10 0 CEAERO C[C@@H](c1nc(C(C)(C)C)no1)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261884815 153867779 /nfs/dbraw/zinc/86/77/79/153867779.db2.gz UXLHDGULTOZEDI-WDEREUQCSA-N 1 0 280.416 2.487 10 0 CEAERO [NH3+][C@@H]1CN(Cc2ccn(C(F)F)n2)C[C@H]1c1ccccc1 ZINC000261899599 153871203 /nfs/dbraw/zinc/87/12/03/153871203.db2.gz WJCWZGFEAOFYSC-UONOGXRCSA-N 1 0 292.333 2.205 10 0 CEAERO CC(C)CCSCC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262098718 153911660 /nfs/dbraw/zinc/91/16/60/153911660.db2.gz UYEXKJFIRKNBAQ-LBPRGKRZSA-N 1 0 272.458 2.352 10 0 CEAERO [NH3+]CCN1CCC[C@@H]1c1nc(-c2ccc(F)cc2)c[nH]1 ZINC000263098468 154018718 /nfs/dbraw/zinc/01/87/18/154018718.db2.gz ZDAWYGWLNARDNU-CQSZACIVSA-N 1 0 274.343 2.311 10 0 CEAERO CN1CC[NH2+]C[C@H]1c1noc(-c2coc3ccccc23)n1 ZINC000263146655 154025067 /nfs/dbraw/zinc/02/50/67/154025067.db2.gz CUADNAOZSCHLFY-LBPRGKRZSA-N 1 0 284.319 2.059 10 0 CEAERO Cc1cccc(C2(c3nc([C@H]4C[NH2+]CCN4C)no3)CC2)c1 ZINC000263200654 154034793 /nfs/dbraw/zinc/03/47/93/154034793.db2.gz JAVUZQHHGVMXTC-CQSZACIVSA-N 1 0 298.390 2.034 10 0 CEAERO CCC(C)(C)C1CCC([NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000263209102 154036215 /nfs/dbraw/zinc/03/62/15/154036215.db2.gz KBYJOXLVTWTSNU-PPWQZUPISA-N 1 0 268.445 2.151 10 0 CEAERO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1C[NH2+]C1 ZINC000263291610 154050562 /nfs/dbraw/zinc/05/05/62/154050562.db2.gz LOJUFCKWYSPRKO-QMMMGPOBSA-N 1 0 287.190 2.260 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+]C[C@@H](C)c2ccccc2)C1 ZINC000263484780 154100394 /nfs/dbraw/zinc/10/03/94/154100394.db2.gz HBEALFUVYSLZMF-IUDNXUCKSA-N 1 0 290.407 2.317 10 0 CEAERO CC[C@H]([NH2+]C1CC([N@H+](CC)CC(=O)[O-])C1)C1CCC1 ZINC000263522373 154109959 /nfs/dbraw/zinc/10/99/59/154109959.db2.gz RREJXZQTPDZXKO-RUXDESIVSA-N 1 0 268.401 2.092 10 0 CEAERO Cc1cc(NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)cc[nH+]1 ZINC000263516223 154111224 /nfs/dbraw/zinc/11/12/24/154111224.db2.gz ABVNEQKCYGFZKI-UHFFFAOYSA-N 1 0 289.379 2.130 10 0 CEAERO COCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400478436 292363121 /nfs/dbraw/zinc/36/31/21/292363121.db2.gz VPTSWONLJAQWQY-QWHCGFSZSA-N 1 0 286.416 2.258 10 0 CEAERO C[NH2+]C[C@@H]1CCCN(c2ccncc2Br)C1 ZINC000159889010 162319020 /nfs/dbraw/zinc/31/90/20/162319020.db2.gz AVOPAYDGRAULLK-JTQLQIEISA-N 1 0 284.201 2.280 10 0 CEAERO CO[C@@H]1CCN(C(=O)C2CCCCCCC2)[C@H](C[NH3+])C1 ZINC000167277990 162358568 /nfs/dbraw/zinc/35/85/68/162358568.db2.gz NCBDPHKQVUFNPD-LSDHHAIUSA-N 1 0 282.428 2.312 10 0 CEAERO C[C@@H](O)[C@H]1CC[N@H+](Cc2cc(Cl)cc3c2OCOC3)C1 ZINC000168427508 162366443 /nfs/dbraw/zinc/36/64/43/162366443.db2.gz NPTKZKROWGSITQ-MNOVXSKESA-N 1 0 297.782 2.409 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc2c(c1)CCC2 ZINC000172055287 162396831 /nfs/dbraw/zinc/39/68/31/162396831.db2.gz LDPFRPLUMMVWTG-RDTXWAMCSA-N 1 0 298.430 2.413 10 0 CEAERO CN1CCO[C@H](C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000252545775 162522680 /nfs/dbraw/zinc/52/26/80/162522680.db2.gz JSQMHZHQBTUZDZ-GRYCIOLGSA-N 1 0 280.334 2.028 10 0 CEAERO [NH3+]C[C@@H]1CCCN(c2cncc(Br)c2)C1 ZINC000261529513 162541562 /nfs/dbraw/zinc/54/15/62/162541562.db2.gz AWYFWZDVAKDYHU-VIFPVBQESA-N 1 0 270.174 2.019 10 0 CEAERO CC1(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CCCC1 ZINC000171908102 165054303 /nfs/dbraw/zinc/05/43/03/165054303.db2.gz LTUDFAAODQZOQK-ZDUSSCGKSA-N 1 0 265.401 2.056 10 0 CEAERO CCCCC[C@@H](C)CC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000173521567 165075283 /nfs/dbraw/zinc/07/52/83/165075283.db2.gz GGRKHRICKCQWLV-CABCVRRESA-N 1 0 284.444 2.382 10 0 CEAERO C[C@@H]1CC[C@H](CCC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)O1 ZINC000175327283 165135369 /nfs/dbraw/zinc/13/53/69/165135369.db2.gz ZEQZVNHEXGBLKO-RBSFLKMASA-N 1 0 280.412 2.031 10 0 CEAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCN1CCCCC1 ZINC000178336059 165234099 /nfs/dbraw/zinc/23/40/99/165234099.db2.gz BJZWDCKDPUDURO-MRXNPFEDSA-N 1 0 276.428 2.142 10 0 CEAERO CCS[C@@H](C)c1noc(CN2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000178446646 165241195 /nfs/dbraw/zinc/24/11/95/165241195.db2.gz ZOOPEZBGHQVXOU-NWDGAFQWSA-N 1 0 296.440 2.164 10 0 CEAERO Cc1ccc(CCCC(=O)NCC[C@@H](C)[NH3+])s1 ZINC000178692936 165254729 /nfs/dbraw/zinc/25/47/29/165254729.db2.gz OFXWERSAXVBZNR-SNVBAGLBSA-N 1 0 254.399 2.233 10 0 CEAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1cncs1 ZINC000180122628 165297024 /nfs/dbraw/zinc/29/70/24/165297024.db2.gz OIFPVUJAKHUTJJ-LBPRGKRZSA-N 1 0 262.382 2.313 10 0 CEAERO C[C@@H](c1ccccc1F)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000247003404 287151292 /nfs/dbraw/zinc/15/12/92/287151292.db2.gz BRBPWRZUHQZYBD-STQMWFEESA-N 1 0 266.360 2.149 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)OC(C)(C)C ZINC000246037880 287227623 /nfs/dbraw/zinc/22/76/23/287227623.db2.gz AYKKOAJUSZVVJM-NEPJUHHUSA-N 1 0 254.374 2.480 10 0 CEAERO CC(C)C[C@](CC[NH2+]C(C)C)(C(N)=O)c1ccccn1 ZINC000005138283 170069973 /nfs/dbraw/zinc/06/99/73/170069973.db2.gz LOOAPMDVMHIKDJ-INIZCTEOSA-N 1 0 277.412 2.239 10 0 in-vitro CEAERO O=C(C[NH+]1CCCCC1)NCCc1c[nH]c2ccccc12 ZINC000007339137 170277942 /nfs/dbraw/zinc/27/79/42/170277942.db2.gz MOTUIDPTBBCELB-UHFFFAOYSA-N 1 0 285.391 2.313 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(F)c(F)c1F ZINC000019439876 170801865 /nfs/dbraw/zinc/80/18/65/170801865.db2.gz CUMXAQOOIDXMTN-KSBSHMNSSA-N 1 0 260.259 2.416 10 0 CEAERO CCOCCC[NH2+][C@H](C)c1ccc(O)c(OC)c1 ZINC000019963011 170944662 /nfs/dbraw/zinc/94/46/62/170944662.db2.gz LLNJGXKAVZNYDK-LLVKDONJSA-N 1 0 253.342 2.478 10 0 CEAERO O=C(CC[NH2+]Cc1ccccc1Cl)N1CCCC1 ZINC000020127106 171012190 /nfs/dbraw/zinc/01/21/90/171012190.db2.gz KMHFQXMEJPPYLT-UHFFFAOYSA-N 1 0 266.772 2.442 10 0 CEAERO COc1ccc(C[NH2+]C[C@H](C(C)C)N(C)C)cc1 ZINC000020145430 171030928 /nfs/dbraw/zinc/03/09/28/171030928.db2.gz ASWYFXCNHVMYRC-OAHLLOKOSA-N 1 0 250.386 2.371 10 0 CEAERO c1ccc(CC[NH2+]CCCOC[C@@H]2CCCO2)cc1 ZINC000020146576 171033186 /nfs/dbraw/zinc/03/31/86/171033186.db2.gz HGMQOCNBDNHHSA-INIZCTEOSA-N 1 0 263.381 2.404 10 0 CEAERO CC(C)COCCC[NH2+][C@@H]1COc2cc(O)ccc21 ZINC000020147303 171033686 /nfs/dbraw/zinc/03/36/86/171033686.db2.gz JXLJQTORMVJEDM-CQSZACIVSA-N 1 0 265.353 2.478 10 0 CEAERO CC[NH+]1CCN(Cc2cc(N)ccc2Cl)CC1 ZINC000020192569 171058874 /nfs/dbraw/zinc/05/88/74/171058874.db2.gz IKFKHAVLTLLOOV-UHFFFAOYSA-N 1 0 253.777 2.060 10 0 CEAERO CCOc1ccc(C[NH2+]CCCOCCOC)cc1OC ZINC000020192841 171058964 /nfs/dbraw/zinc/05/89/64/171058964.db2.gz OAQKUAUQRYWHMX-UHFFFAOYSA-N 1 0 297.395 2.237 10 0 CEAERO [NH3+]CCCOc1ccc(NC(=O)c2ccco2)cc1 ZINC000020224593 171087372 /nfs/dbraw/zinc/08/73/72/171087372.db2.gz GSDCEYUCOBDKAA-UHFFFAOYSA-N 1 0 260.293 2.260 10 0 CEAERO [NH3+]CCOc1cccc(NC(=O)c2cccs2)c1 ZINC000020224640 171087742 /nfs/dbraw/zinc/08/77/42/171087742.db2.gz FJOMCUOZCFMFFB-UHFFFAOYSA-N 1 0 262.334 2.338 10 0 CEAERO CC(C)CN(C)[C@@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000020226432 171092177 /nfs/dbraw/zinc/09/21/77/171092177.db2.gz KKJCSFUWEQFZDB-LBPRGKRZSA-N 1 0 250.342 2.003 10 0 CEAERO CC(C)c1ccccc1NC(=O)CCN1CC[NH2+]CC1 ZINC000020270102 171126616 /nfs/dbraw/zinc/12/66/16/171126616.db2.gz TYYXBOMTARRQIN-UHFFFAOYSA-N 1 0 275.396 2.044 10 0 CEAERO CC(C)CCNC(=O)[C@@H](C)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000020367481 171165901 /nfs/dbraw/zinc/16/59/01/171165901.db2.gz ZAJLELCWMZYKAM-JKSUJKDBSA-N 1 0 297.487 2.391 10 0 CEAERO [NH3+]CC1(c2ccc(OC(F)F)cc2)CCOCC1 ZINC000020429506 171194621 /nfs/dbraw/zinc/19/46/21/171194621.db2.gz HXMGUVFUAXFETQ-UHFFFAOYSA-N 1 0 257.280 2.295 10 0 CEAERO C[C@H](OC(C)(C)C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000020508660 171229406 /nfs/dbraw/zinc/22/94/06/171229406.db2.gz BIBASSJJBCUBQU-JTQLQIEISA-N 1 0 250.342 2.287 10 0 CEAERO COc1cccc(OC)c1OCCC[NH2+]C1CC1 ZINC000020525021 171238163 /nfs/dbraw/zinc/23/81/63/171238163.db2.gz LDYTVEFCQHTEKJ-UHFFFAOYSA-N 1 0 251.326 2.225 10 0 CEAERO COc1cc(OC)c([C@@H]2C[C@@H]2[C@@H](C)[NH3+])cc1OC ZINC000020594470 171263629 /nfs/dbraw/zinc/26/36/29/171263629.db2.gz OFDOGOXWHHIWGG-OPRDCNLKSA-N 1 0 251.326 2.163 10 0 CEAERO C[C@@H]1Cc2ccccc2N1C(=O)C[C@H]1CCCC[NH2+]1 ZINC000020597197 171265861 /nfs/dbraw/zinc/26/58/61/171265861.db2.gz YQWMEXWYBZPBIP-TZMCWYRMSA-N 1 0 258.365 2.496 10 0 CEAERO CCC(C)(C)NS(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000021060795 171297378 /nfs/dbraw/zinc/29/73/78/171297378.db2.gz FRYSWRICNLJZOG-SNVBAGLBSA-N 1 0 270.398 2.173 10 0 CEAERO c1ccc([C@H](c2ccccn2)N2CCC[NH2+]CC2)cc1 ZINC000022108576 171352822 /nfs/dbraw/zinc/35/28/22/171352822.db2.gz GAGRQQXAFBKXPN-QGZVFWFLSA-N 1 0 267.376 2.466 10 0 CEAERO Cc1ccc([C@@H]([NH2+]CC(N)=O)c2ccccc2)c(C)c1 ZINC000022151012 171358427 /nfs/dbraw/zinc/35/84/27/171358427.db2.gz ZICVDNRQDTXZHH-KRWDZBQOSA-N 1 0 268.360 2.468 10 0 CEAERO COc1cc(N)ccc1NC(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000022151511 171358457 /nfs/dbraw/zinc/35/84/57/171358457.db2.gz HHHMZFGXQIJMKG-GFCCVEGCSA-N 1 0 291.395 2.480 10 0 CEAERO C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(F)cc2N)C1 ZINC000022151273 171358620 /nfs/dbraw/zinc/35/86/20/171358620.db2.gz VBFWHJYHGVUGCK-JTQLQIEISA-N 1 0 265.332 2.078 10 0 CEAERO CC[NH+](CC)[C@H](C)C(=O)Nc1cc(N)ccc1F ZINC000022152226 171359563 /nfs/dbraw/zinc/35/95/63/171359563.db2.gz WYFULDFZVXREGV-SECBINFHSA-N 1 0 253.321 2.077 10 0 CEAERO C[C@H](C(=O)Nc1cccc(N)c1)[NH+]1CCC(C)CC1 ZINC000022153390 171360502 /nfs/dbraw/zinc/36/05/02/171360502.db2.gz FBGBYQVMERQYAH-GFCCVEGCSA-N 1 0 261.369 2.328 10 0 CEAERO C[C@H](C(=O)Nc1ccc(F)c(N)c1)[NH+]1CCC(C)CC1 ZINC000022154339 171361375 /nfs/dbraw/zinc/36/13/75/171361375.db2.gz ICXDDNAFWIBKCE-LLVKDONJSA-N 1 0 279.359 2.467 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Cl)ccc1N ZINC000022166592 171366178 /nfs/dbraw/zinc/36/61/78/171366178.db2.gz DAELHJYLGVVRAY-LLVKDONJSA-N 1 0 281.787 2.136 10 0 CEAERO CN(C)[C@@H](C[NH3+])c1ccc(F)c(Br)c1 ZINC000022177466 171371270 /nfs/dbraw/zinc/37/12/70/171371270.db2.gz YDKHHTBYHRGNGB-JTQLQIEISA-N 1 0 261.138 2.150 10 0 CEAERO [NH3+]Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1 ZINC000022210117 171373136 /nfs/dbraw/zinc/37/31/36/171373136.db2.gz YGDXBKYNRRAOQN-UHFFFAOYSA-N 1 0 298.314 2.224 10 0 CEAERO [NH3+]Cc1cccc(S(=O)(=O)Nc2ccc(F)c(F)c2)c1 ZINC000022211778 171373832 /nfs/dbraw/zinc/37/38/32/171373832.db2.gz QORMBORFKBNIGC-UHFFFAOYSA-N 1 0 298.314 2.224 10 0 CEAERO CCN(CC)[C@@H](C[NH3+])c1ccc(OC)c(OC)c1OC ZINC000022213092 171374469 /nfs/dbraw/zinc/37/44/69/171374469.db2.gz VHKICFNLUVHUBM-LBPRGKRZSA-N 1 0 282.384 2.054 10 0 CEAERO [NH3+]Cc1ccccc1NC(=O)COc1ccc(F)cc1 ZINC000022212691 171374513 /nfs/dbraw/zinc/37/45/13/171374513.db2.gz HBRDMFPAFDCCFR-UHFFFAOYSA-N 1 0 274.295 2.302 10 0 CEAERO COc1cc([C@@H](C)[NH3+])ccc1OCC(=O)NC(C)(C)C ZINC000022215337 171375454 /nfs/dbraw/zinc/37/54/54/171375454.db2.gz ZBZLVKUFJDJXMJ-SNVBAGLBSA-N 1 0 280.368 2.008 10 0 CEAERO [NH3+]Cc1ccccc1OCC(=O)Nc1ccc(F)cc1 ZINC000022218534 171376840 /nfs/dbraw/zinc/37/68/40/171376840.db2.gz LXVWWIQAQGGZBP-UHFFFAOYSA-N 1 0 274.295 2.302 10 0 CEAERO C[C@@H]1CCC[C@@H](C)[NH+]1CC(=O)Nc1cccc(N)c1 ZINC000022221790 171378345 /nfs/dbraw/zinc/37/83/45/171378345.db2.gz YUMMHXZZQDRBQA-VXGBXAGGSA-N 1 0 261.369 2.470 10 0 CEAERO CC(C)N(C)[C@H](C[NH3+])c1ccc(Br)o1 ZINC000022222111 171378815 /nfs/dbraw/zinc/37/88/15/171378815.db2.gz MQQMGBYZFWASPQ-MRVPVSSYSA-N 1 0 261.163 2.382 10 0 CEAERO CCOc1ccc([C@@H]([NH3+])CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000022566259 171391654 /nfs/dbraw/zinc/39/16/54/171391654.db2.gz LPXFXYVTPRAHRH-XEZPLFJOSA-N 1 0 278.396 2.194 10 0 CEAERO C[NH2+][C@@H](c1cccnc1)c1ccc(OC)c(OC)c1 ZINC000035463285 172210865 /nfs/dbraw/zinc/21/08/65/172210865.db2.gz WFBLDVIWWKWIKB-OAHLLOKOSA-N 1 0 258.321 2.408 10 0 CEAERO CC[NH2+][C@H](c1cnn(C)c1)c1cncc(Br)c1 ZINC000035555650 172261692 /nfs/dbraw/zinc/26/16/92/172261692.db2.gz NMJAZFOUICZSCA-LBPRGKRZSA-N 1 0 295.184 2.277 10 0 CEAERO COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2[NH3+])cc1 ZINC000035571713 172267402 /nfs/dbraw/zinc/26/74/02/172267402.db2.gz GFFOEMWZSLZQTP-UONOGXRCSA-N 1 0 292.379 2.357 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(NC(=O)COCC)cc1 ZINC000035635046 172319505 /nfs/dbraw/zinc/31/95/05/172319505.db2.gz UZUJOORMGJCQLB-NSHDSACASA-N 1 0 250.342 2.332 10 0 CEAERO CC(C)[NH2+]Cc1cc(Cl)cc(Cl)c1OCC(N)=O ZINC000035662145 172340198 /nfs/dbraw/zinc/34/01/98/172340198.db2.gz MLTZELBCNZQELL-UHFFFAOYSA-N 1 0 291.178 2.356 10 0 CEAERO Cc1ccc(Cl)c(N2C[C@H]([NH3+])CC2=O)c1Cl ZINC000035679762 172350302 /nfs/dbraw/zinc/35/03/02/172350302.db2.gz AKJRZNJYGLJOSM-SSDOTTSWSA-N 1 0 259.136 2.366 10 0 CEAERO [NH3+][C@H]1CC(=O)N(c2ccccc2SC(F)F)C1 ZINC000035679777 172350556 /nfs/dbraw/zinc/35/05/56/172350556.db2.gz XOMCWISJGOVENX-ZETCQYMHSA-N 1 0 258.293 2.065 10 0 CEAERO CN(Cc1ccsc1)c1nc2ccccn2c1C[NH3+] ZINC000035719571 172373781 /nfs/dbraw/zinc/37/37/81/172373781.db2.gz PLFUZGBJNIFEDM-UHFFFAOYSA-N 1 0 272.377 2.491 10 0 CEAERO [NH3+]Cc1ccc(F)c(CSc2nncs2)c1 ZINC000035724520 172379488 /nfs/dbraw/zinc/37/94/88/172379488.db2.gz GDBKCTGDZFLXHA-UHFFFAOYSA-N 1 0 255.343 2.428 10 0 CEAERO CC(C)c1ccc2c(c1)[C@@H]([NH3+])C[C@H](C)S2(=O)=O ZINC000035752297 172396723 /nfs/dbraw/zinc/39/67/23/172396723.db2.gz AGKVPIWLHNKXSZ-CABZTGNLSA-N 1 0 253.367 2.376 10 0 CEAERO CCC[NH2+][C@H]1c2cc(F)ccc2S(=O)(=O)C[C@H]1C ZINC000035761545 172399567 /nfs/dbraw/zinc/39/95/67/172399567.db2.gz RMGUOEITKDEHOK-NOZJJQNGSA-N 1 0 271.357 2.290 10 0 CEAERO C[NH2+][C@@H]1C[C@H](C)S(=O)(=O)c2ccc(Cl)cc21 ZINC000035760983 172399590 /nfs/dbraw/zinc/39/95/90/172399590.db2.gz FAUFXVUTKNVLJW-OIBJUYFYSA-N 1 0 259.758 2.166 10 0 CEAERO CCCNC(=O)N[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC000036263789 172557165 /nfs/dbraw/zinc/55/71/65/172557165.db2.gz FPPKSISQRJDKMJ-LBPRGKRZSA-N 1 0 253.390 2.151 10 0 CEAERO CCOc1ncccc1NC(=O)CCCCCC[NH3+] ZINC000037026722 172891103 /nfs/dbraw/zinc/89/11/03/172891103.db2.gz YSKHVDAHYQFJRF-UHFFFAOYSA-N 1 0 265.357 2.328 10 0 CEAERO C[N@H+](CCC(=O)Nc1ccc(Cl)cc1N)C1CC1 ZINC000037080447 172936886 /nfs/dbraw/zinc/93/68/86/172936886.db2.gz OYHRLQFLVUYUQY-UHFFFAOYSA-N 1 0 267.760 2.345 10 0 CEAERO CN([C@H](C[NH3+])c1ccc(OC(F)F)cc1)C1CC1 ZINC000037080719 172937671 /nfs/dbraw/zinc/93/76/71/172937671.db2.gz HRDSESLMOKVMBH-GFCCVEGCSA-N 1 0 256.296 2.382 10 0 CEAERO CC(C)C[N@H+](C)CCOc1cccc(C(N)=S)c1 ZINC000037144567 172983005 /nfs/dbraw/zinc/98/30/05/172983005.db2.gz ZTHDOPDBJKSFCG-UHFFFAOYSA-N 1 0 266.410 2.287 10 0 CEAERO COc1cccc(CO[C@H](CC[NH3+])C(F)(F)F)c1 ZINC000037179387 173012825 /nfs/dbraw/zinc/01/28/25/173012825.db2.gz AJZSKKMNCLFGBF-LLVKDONJSA-N 1 0 263.259 2.492 10 0 CEAERO [NH3+]CC[C@H](OCCOc1ccccc1)C(F)(F)F ZINC000037179295 173012995 /nfs/dbraw/zinc/01/29/95/173012995.db2.gz ARTDAJHNGHGAEE-NSHDSACASA-N 1 0 263.259 2.362 10 0 CEAERO CC[NH2+][C@@H](CC)c1ccc(OC[C@@H](C)C(N)=O)cc1 ZINC000037226967 173047298 /nfs/dbraw/zinc/04/72/98/173047298.db2.gz RXVRQJFBFCMGSA-RISCZKNCSA-N 1 0 264.369 2.247 10 0 CEAERO CC[NH2+][C@H](CC)c1ccc(OC[C@H](C)C(N)=O)cc1 ZINC000037226970 173047360 /nfs/dbraw/zinc/04/73/60/173047360.db2.gz RXVRQJFBFCMGSA-SMDDNHRTSA-N 1 0 264.369 2.247 10 0 CEAERO C[NH2+][C@@H]1CCN(c2ccccc2OC(F)(F)F)C1 ZINC000037241270 173057460 /nfs/dbraw/zinc/05/74/60/173057460.db2.gz AAAHQSVMHLJVGD-SECBINFHSA-N 1 0 260.259 2.383 10 0 CEAERO COc1nc2sccn2c1C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000037242477 173058725 /nfs/dbraw/zinc/05/87/25/173058725.db2.gz SJZABVOFENODPP-ONGXEEELSA-N 1 0 281.381 2.062 10 0 CEAERO C[C@H]([NH2+][C@@H](c1cccs1)C1CCCC1)C(N)=O ZINC000037261544 173071458 /nfs/dbraw/zinc/07/14/58/173071458.db2.gz WBMOCFHIIBOUPT-JOYOIKCWSA-N 1 0 252.383 2.443 10 0 CEAERO COC1CCN([C@H](C[NH3+])c2ccccc2Cl)CC1 ZINC000037266006 173074998 /nfs/dbraw/zinc/07/49/98/173074998.db2.gz CDVPOEOCRGLXAF-CQSZACIVSA-N 1 0 268.788 2.451 10 0 CEAERO Cc1ncsc1[C@@H](C)[NH2+]C1CCC(C(N)=O)CC1 ZINC000037319473 173120116 /nfs/dbraw/zinc/12/01/16/173120116.db2.gz POORGZHRQFPGMG-KPPDAEKUSA-N 1 0 267.398 2.146 10 0 CEAERO [NH3+][C@@H](Cc1nnc2n1CCCCC2)c1ccccc1 ZINC000037323795 173124436 /nfs/dbraw/zinc/12/44/36/173124436.db2.gz NWELYXHJLDKDRM-ZDUSSCGKSA-N 1 0 256.353 2.247 10 0 CEAERO [NH3+][C@H](c1ccc2c(c1)CCCC(=O)N2)[C@H]1CCCO1 ZINC000037371269 173160347 /nfs/dbraw/zinc/16/03/47/173160347.db2.gz BUDRZFXYHQFPGC-UKRRQHHQSA-N 1 0 260.337 2.140 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000037386307 173168831 /nfs/dbraw/zinc/16/88/31/173168831.db2.gz ZWGSIHHMMJRXMF-UWJCENJNSA-N 1 0 264.413 2.460 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)Nc1ccc(Br)cn1 ZINC000037395366 173176259 /nfs/dbraw/zinc/17/62/59/173176259.db2.gz DQKJERIUIBEVJL-QMMMGPOBSA-N 1 0 286.173 2.171 10 0 CEAERO CC[NH2+][C@@](C)(C(N)=O)c1ccc(C(F)(F)F)cc1 ZINC000037447494 173214794 /nfs/dbraw/zinc/21/47/94/173214794.db2.gz UEHUACJVZFRBHT-LLVKDONJSA-N 1 0 260.259 2.015 10 0 CEAERO Cc1ccc(NC(=O)C[C@@H](C)[NH3+])c(Br)c1 ZINC000037475707 173227779 /nfs/dbraw/zinc/22/77/79/173227779.db2.gz YFIKFYDQDPFZJR-MRVPVSSYSA-N 1 0 271.158 2.433 10 0 CEAERO C[C@H](NC(=O)C[NH2+]C1CCCC1)c1ccc2c(c1)OCO2 ZINC000037485984 173229310 /nfs/dbraw/zinc/22/93/10/173229310.db2.gz VGSBLZMGMNCJFZ-NSHDSACASA-N 1 0 290.363 2.125 10 0 CEAERO CCN(C(=O)Nc1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000037537790 173257837 /nfs/dbraw/zinc/25/78/37/173257837.db2.gz FPAIUQYMQMLOOG-UHFFFAOYSA-N 1 0 265.332 2.432 10 0 CEAERO CC[C@H](C)N(CC)S(=O)(=O)c1ccc(C[NH2+]C)cc1 ZINC000037573342 173524102 /nfs/dbraw/zinc/52/41/02/173524102.db2.gz BRDLKGIRLRLRNL-LBPRGKRZSA-N 1 0 284.425 2.215 10 0 CEAERO C[NH2+]CCCC(=O)NC1CCC(C(F)(F)F)CC1 ZINC000037611461 173559480 /nfs/dbraw/zinc/55/94/80/173559480.db2.gz YRWRUOUVWRPHNZ-UHFFFAOYSA-N 1 0 266.307 2.223 10 0 CEAERO Cc1nnc(COc2c(C)cc(CC[NH3+])cc2C)o1 ZINC000037720297 173638293 /nfs/dbraw/zinc/63/82/93/173638293.db2.gz QYZSCXWVXVFLCY-UHFFFAOYSA-N 1 0 261.325 2.075 10 0 CEAERO CCC[NH+]1CCC(Nc2ccc(=O)n(CC)c2)CC1 ZINC000037773819 173706307 /nfs/dbraw/zinc/70/63/07/173706307.db2.gz DUWUASOFUFNRPF-UHFFFAOYSA-N 1 0 263.385 2.155 10 0 CEAERO CC(C)[C@@H]([NH3+])C(=O)N1CC[C@@H](C)[C@H]2CCCC[C@@H]21 ZINC000037811186 173755177 /nfs/dbraw/zinc/75/51/77/173755177.db2.gz ADVCXIYEAKSEAE-YIYPIFLZSA-N 1 0 252.402 2.397 10 0 CEAERO CC(C)[NH2+]CCCC(=O)N(C)CCc1ccccc1 ZINC000037815663 173764660 /nfs/dbraw/zinc/76/46/60/173764660.db2.gz XBFMXRRDOALSLQ-UHFFFAOYSA-N 1 0 262.397 2.466 10 0 CEAERO CCC[C@@H](C)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916707 173851401 /nfs/dbraw/zinc/85/14/01/173851401.db2.gz HNABQKSIYSYHEN-RDBSUJKOSA-N 1 0 252.402 2.413 10 0 CEAERO C[C@@H](CNc1ccc(S(C)(=O)=O)cc1)[NH+]1CCCCC1 ZINC000038029306 174019551 /nfs/dbraw/zinc/01/95/51/174019551.db2.gz SZLQXPNFXJIWPE-ZDUSSCGKSA-N 1 0 296.436 2.376 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)c1cccc(Cl)c1 ZINC000038048824 174059916 /nfs/dbraw/zinc/05/99/16/174059916.db2.gz DQHQLPHMFFJOKX-NWDGAFQWSA-N 1 0 252.745 2.340 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)Cc1ccccc1Cl ZINC000038049383 174060582 /nfs/dbraw/zinc/06/05/82/174060582.db2.gz RTVSSEHVLZYKFY-STQMWFEESA-N 1 0 266.772 2.269 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)c1ccccc1OC(F)F ZINC000038049342 174060609 /nfs/dbraw/zinc/06/06/09/174060609.db2.gz PQDKLNPXNNFVGY-WDEREUQCSA-N 1 0 284.306 2.288 10 0 CEAERO Cc1cccc(-c2nc([C@@H](C)N3CC[NH2+]CC3)no2)c1 ZINC000038526868 174144109 /nfs/dbraw/zinc/14/41/09/174144109.db2.gz LFXFXJCRXBYQSX-GFCCVEGCSA-N 1 0 272.352 2.011 10 0 CEAERO [NH3+]C[C@@H](c1ccc2c(c1)OCO2)N1CCCCCC1 ZINC000039174836 174165132 /nfs/dbraw/zinc/16/51/32/174165132.db2.gz HTLDBHWSJKUGOK-ZDUSSCGKSA-N 1 0 262.353 2.291 10 0 CEAERO [NH3+][C@H]1c2cc(Br)ccc2CCC[C@H]1O ZINC000039941518 174175692 /nfs/dbraw/zinc/17/56/92/174175692.db2.gz BZTCUTHVQHKBPV-MNOVXSKESA-N 1 0 256.143 2.146 10 0 CEAERO O=C(C1CC[NH2+]CC1)N(Cc1ccsc1)C1CC1 ZINC000040492056 174292892 /nfs/dbraw/zinc/29/28/92/174292892.db2.gz UVKJJKXXCHAPLX-UHFFFAOYSA-N 1 0 264.394 2.239 10 0 CEAERO CCN1CCC[C@@H]([NH2+]Cc2cc(OC)cc(OC)c2)C1 ZINC000040502450 174298767 /nfs/dbraw/zinc/29/87/67/174298767.db2.gz NXRSZDFYTCAALP-CQSZACIVSA-N 1 0 278.396 2.278 10 0 CEAERO CCOc1cc(CN2CCC[C@H](C[NH2+]C)C2)ccc1O ZINC000040591803 174347652 /nfs/dbraw/zinc/34/76/52/174347652.db2.gz NAKIGEXWJJQKSE-CQSZACIVSA-N 1 0 278.396 2.222 10 0 CEAERO CCOc1ccc([C@H](CNC(C)=O)[NH+]2CCCC2)cc1 ZINC000040614534 174353387 /nfs/dbraw/zinc/35/33/87/174353387.db2.gz RGAHUCKRFNPKJJ-INIZCTEOSA-N 1 0 276.380 2.358 10 0 CEAERO CC(C)NC(=O)[C@H](C)[NH2+]Cc1cc2c(s1)CCC2 ZINC000040627241 174357038 /nfs/dbraw/zinc/35/70/38/174357038.db2.gz JXQQPAUJTAAMHA-JTQLQIEISA-N 1 0 266.410 2.240 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccc(C(C)(C)C)cc2)C1 ZINC000040629943 174357698 /nfs/dbraw/zinc/35/76/98/174357698.db2.gz JCLMZGGIDIIKRE-ZIAGYGMSSA-N 1 0 276.380 2.300 10 0 CEAERO CO[C@H]1C[NH2+][C@H](C(=O)Nc2cccc(OCC(C)C)c2)C1 ZINC000040634213 174360431 /nfs/dbraw/zinc/36/04/31/174360431.db2.gz NYZJWIWLFXMHSA-CABCVRRESA-N 1 0 292.379 2.037 10 0 CEAERO CCOc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@@H](OC)C[NH2+]1 ZINC000040634375 174360502 /nfs/dbraw/zinc/36/05/02/174360502.db2.gz BJBXDTWATKKXPO-PWSUYJOCSA-N 1 0 298.770 2.054 10 0 CEAERO CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1C[C@@H](OC)C[NH2+]1 ZINC000040635364 174361028 /nfs/dbraw/zinc/36/10/28/174361028.db2.gz DBRUFNDEXZAVFT-KGLIPLIRSA-N 1 0 296.798 2.065 10 0 CEAERO Cn1ccnc1CC[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000040639273 174363570 /nfs/dbraw/zinc/36/35/70/174363570.db2.gz BMRBKOAXUUXEFN-UHFFFAOYSA-N 1 0 287.392 2.204 10 0 CEAERO CN1CCC[C@@H]([NH2+]Cc2ccc3c(c2)OCCCO3)C1 ZINC000040673182 174371258 /nfs/dbraw/zinc/37/12/58/174371258.db2.gz QBOCHLCIAIXFFL-CQSZACIVSA-N 1 0 276.380 2.032 10 0 CEAERO CCOC1CCN([C@@H](C[NH3+])c2ccc(F)cc2F)CC1 ZINC000040678671 174374752 /nfs/dbraw/zinc/37/47/52/174374752.db2.gz LVRPCRKICJHZGO-HNNXBMFYSA-N 1 0 284.350 2.466 10 0 CEAERO O=C(CN1CCC([NH+]2CCCCC2)CC1)c1ccc[nH]1 ZINC000040694243 174378021 /nfs/dbraw/zinc/37/80/21/174378021.db2.gz GDBTYFONHGHSJW-UHFFFAOYSA-N 1 0 275.396 2.148 10 0 CEAERO CC[NH2+]Cc1c(N2CC[C@H](C)C2)nc2sccn12 ZINC000040723692 174385797 /nfs/dbraw/zinc/38/57/97/174385797.db2.gz LKLHGZYQHWERCN-JTQLQIEISA-N 1 0 264.398 2.352 10 0 CEAERO COc1ccccc1N(CCC[NH3+])c1cc(C)ncn1 ZINC000040726850 174387417 /nfs/dbraw/zinc/38/74/17/174387417.db2.gz ZLVSALUIWBKHNF-UHFFFAOYSA-N 1 0 272.352 2.281 10 0 CEAERO CCc1c(C)nn(Cc2ccccc2C(N)=[NH2+])c1C ZINC000040732773 174388859 /nfs/dbraw/zinc/38/88/59/174388859.db2.gz NFGKXTYDUVLXHQ-UHFFFAOYSA-N 1 0 256.353 2.395 10 0 CEAERO c1ccc2c(c1)ncnc2NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746470 174391322 /nfs/dbraw/zinc/39/13/22/174391322.db2.gz UEAXMGYCNVXJQD-FOSCPWQOSA-N 1 0 254.337 2.325 10 0 CEAERO CCN(C(=O)Cc1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747814 174393147 /nfs/dbraw/zinc/39/31/47/174393147.db2.gz UKZVGOKJAZMMDA-XYPWUTKMSA-N 1 0 290.382 2.500 10 0 CEAERO Cc1cccc(NC(=O)N2[C@@H]3CC[C@H]2CC([NH3+])C3)c1 ZINC000040749791 174394330 /nfs/dbraw/zinc/39/43/30/174394330.db2.gz PSBWZGPWOMAGAH-QXMXGUDHSA-N 1 0 259.353 2.481 10 0 CEAERO Cc1ccc(C)c(NC(=O)CN2[C@@H]3CC[C@H]2CC([NH3+])C3)c1 ZINC000040750032 174395009 /nfs/dbraw/zinc/39/50/09/174395009.db2.gz DREPEQKNTFGRGO-GOOCMWNKSA-N 1 0 287.407 2.196 10 0 CEAERO Cc1cc(N2[C@@H]3CC[C@H]2CC([NH3+])C3)nc(C(C)C)n1 ZINC000040750527 174395551 /nfs/dbraw/zinc/39/55/51/174395551.db2.gz PUGHQSBKVMWJIK-YHWZYXNKSA-N 1 0 260.385 2.367 10 0 CEAERO Nc1ccc(NCC[NH+]2CCCCCC2)c2nonc21 ZINC000040767659 174398165 /nfs/dbraw/zinc/39/81/65/174398165.db2.gz JZQRIXZHOHPGJQ-UHFFFAOYSA-N 1 0 275.356 2.093 10 0 CEAERO COC(=O)CCC[NH2+]C1[C@@H]2CCC[C@H]1CN(C(C)C)C2 ZINC000040769259 174399204 /nfs/dbraw/zinc/39/92/04/174399204.db2.gz PFYDDNIAOLPYGC-MZBDJJRSSA-N 1 0 282.428 2.038 10 0 CEAERO C[C@H](NC(=O)C1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000040804149 174409367 /nfs/dbraw/zinc/40/93/67/174409367.db2.gz FHWOKIFIZXYUHL-JTQLQIEISA-N 1 0 250.317 2.003 10 0 CEAERO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1cccc(-c2nnco2)c1 ZINC000040829098 174411221 /nfs/dbraw/zinc/41/12/21/174411221.db2.gz GHMZTLMKNMAITO-CABZTGNLSA-N 1 0 274.324 2.049 10 0 CEAERO CCN(Cc1ccc(C)cc1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000662861952 414779982 /nfs/dbraw/zinc/77/99/82/414779982.db2.gz CGONOTBFMYFTEW-CABCVRRESA-N 1 0 260.381 2.471 10 0 CEAERO CCc1nc(C)cc(NCc2ccccc2C[NH2+]C)n1 ZINC000404559431 414786392 /nfs/dbraw/zinc/78/63/92/414786392.db2.gz UIQQHIFAAAAAJP-UHFFFAOYSA-N 1 0 270.380 2.101 10 0 CEAERO CC(C)[C@]1(C)CC(=O)N([C@H]2CC[NH2+]C3(CCC3)C2)C1=O ZINC000041156907 174500559 /nfs/dbraw/zinc/50/05/59/174500559.db2.gz NJVJRJBFEKLURL-WFASDCNBSA-N 1 0 278.396 2.082 10 0 CEAERO Cc1ccc2c(c1)C(=O)N([C@H]1CC[NH2+]C3(CCC3)C1)C2=O ZINC000041156899 174500675 /nfs/dbraw/zinc/50/06/75/174500675.db2.gz URDRNRGZCXTIHX-LBPRGKRZSA-N 1 0 284.359 2.266 10 0 CEAERO CCc1ccc([C@H](C)[NH2+]CCN2CCOCC2)s1 ZINC000041202545 174509874 /nfs/dbraw/zinc/50/98/74/174509874.db2.gz PYUHABODNQZTCT-LBPRGKRZSA-N 1 0 268.426 2.293 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1CC2CCC1CC2 ZINC000400120803 414747362 /nfs/dbraw/zinc/74/73/62/414747362.db2.gz WOMNYVVSDNBFKL-HTXSYXIBSA-N 1 0 264.413 2.317 10 0 CEAERO CC[C@@H]1CN(c2ncc(Cl)cc2F)CC[C@@H]1[NH3+] ZINC000122988568 414792953 /nfs/dbraw/zinc/79/29/53/414792953.db2.gz NYPJGSBYEGZGAS-KCJUWKMLSA-N 1 0 257.740 2.438 10 0 CEAERO Cc1cnc([C@@H](C)NC(=O)C[C@@H]([NH3+])C(C)C)s1 ZINC000124536627 414797025 /nfs/dbraw/zinc/79/70/25/414797025.db2.gz ZZSXEQUXYCXUNJ-NXEZZACHSA-N 1 0 255.387 2.002 10 0 CEAERO Cc1oc(C)c(C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)c1C ZINC000662976265 414815604 /nfs/dbraw/zinc/81/56/04/414815604.db2.gz FEITWRSUUGPBJZ-VIFPVBQESA-N 1 0 278.274 2.166 10 0 CEAERO CCc1ccc(C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)cc1 ZINC000662977518 414816878 /nfs/dbraw/zinc/81/68/78/414816878.db2.gz VDFYSCSQNNKWQR-NSHDSACASA-N 1 0 274.286 2.211 10 0 CEAERO Cc1ccc(C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)cc1F ZINC000662977981 414817389 /nfs/dbraw/zinc/81/73/89/414817389.db2.gz NFQKKBWMRPGWIV-JTQLQIEISA-N 1 0 278.249 2.096 10 0 CEAERO CN(C(=O)c1cc2ccccc2[nH]1)[C@H](C[NH3+])C(F)(F)F ZINC000662986279 414818660 /nfs/dbraw/zinc/81/86/60/414818660.db2.gz KQINACBSQZJBCQ-LLVKDONJSA-N 1 0 285.269 2.130 10 0 CEAERO CN(C(=O)[C@@H]1CCCC2(CC2)C1)[C@H](C[NH3+])C(F)(F)F ZINC000662986383 414819510 /nfs/dbraw/zinc/81/95/10/414819510.db2.gz DLCPEWMYYSDLAR-NXEZZACHSA-N 1 0 278.318 2.305 10 0 CEAERO Cc1scc(C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)c1C ZINC000662984278 414819582 /nfs/dbraw/zinc/81/95/82/414819582.db2.gz JSYFOUSKNAAROX-VIFPVBQESA-N 1 0 280.315 2.327 10 0 CEAERO CCS(=O)(=O)c1ccc(NCCCC[NH+](C)C)cc1 ZINC000041675580 174602031 /nfs/dbraw/zinc/60/20/31/174602031.db2.gz RDLRCLLILMUGHN-UHFFFAOYSA-N 1 0 284.425 2.234 10 0 CEAERO C[C@H]([NH3+])c1cccc(NC(=O)NCCc2cccnc2)c1 ZINC000041717286 174615974 /nfs/dbraw/zinc/61/59/74/174615974.db2.gz JKESLSPLJNWLJV-LBPRGKRZSA-N 1 0 284.363 2.466 10 0 CEAERO OCC[N@H+](C[C@H]1CCC[C@H](O)C1)C1CCCCC1 ZINC000311097114 414857685 /nfs/dbraw/zinc/85/76/85/414857685.db2.gz JJDFUAILOIARMH-ZFWWWQNUSA-N 1 0 255.402 2.165 10 0 CEAERO COc1cccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1F ZINC000311694694 414859908 /nfs/dbraw/zinc/85/99/08/414859908.db2.gz SUJBSSFBPCMDIZ-DRZSPHRISA-N 1 0 264.344 2.003 10 0 CEAERO CCN(Cc1cccc(C)c1)C(=O)C[C@H]1CCC[NH2+]1 ZINC000042169229 174650495 /nfs/dbraw/zinc/65/04/95/174650495.db2.gz UZOUMSBBZBSKLB-OAHLLOKOSA-N 1 0 260.381 2.486 10 0 CEAERO C[C@@H]1CCC[C@@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CC1 ZINC000653150479 414926837 /nfs/dbraw/zinc/92/68/37/414926837.db2.gz CESWHEPVGLPSCC-DDHJBXDOSA-N 1 0 292.345 2.469 10 0 CEAERO COCc1csc(C[NH2+][C@H]2CCCC[C@H]2O)c1 ZINC000657360390 414884607 /nfs/dbraw/zinc/88/46/07/414884607.db2.gz FSRAKSATZJCZCP-QWHCGFSZSA-N 1 0 255.383 2.288 10 0 CEAERO Cc1[nH]c2ccccc2c1C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000653053211 414888830 /nfs/dbraw/zinc/88/88/30/414888830.db2.gz ZPMCKCBKFHNWKM-AAEUAGOBSA-N 1 0 271.364 2.334 10 0 CEAERO Cc1cnc(SCc2ccccc2C(N)=[NH2+])nc1 ZINC000042404608 174710704 /nfs/dbraw/zinc/71/07/04/174710704.db2.gz JKNKNEJRUVQUKA-UHFFFAOYSA-N 1 0 258.350 2.361 10 0 CEAERO CN(Cc1ccsc1)C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653061684 414893553 /nfs/dbraw/zinc/89/35/53/414893553.db2.gz YKEOKTNVETXGPT-NXEZZACHSA-N 1 0 292.326 2.104 10 0 CEAERO C[C@@H]1CC[C@@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)[C@H](C)C1 ZINC000653446398 414996799 /nfs/dbraw/zinc/99/67/99/414996799.db2.gz CCONIENUZLNEDH-LZQZFOIKSA-N 1 0 292.345 2.325 10 0 CEAERO C[C@@H]1CCCCCN1C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653446595 414997267 /nfs/dbraw/zinc/99/72/67/414997267.db2.gz MOBGDRLLWVBJPM-GMTAPVOTSA-N 1 0 278.318 2.175 10 0 CEAERO CCC[C@H](C)N(C)C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653447237 414997652 /nfs/dbraw/zinc/99/76/52/414997652.db2.gz SRYPMADGBXJGOZ-IVZWLZJFSA-N 1 0 266.307 2.031 10 0 CEAERO CC(C)CN(C1CC1)S(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000042559514 174795390 /nfs/dbraw/zinc/79/53/90/174795390.db2.gz RYNOYCUZUGVBAR-UHFFFAOYSA-N 1 0 296.436 2.096 10 0 CEAERO Cc1cccc([C@H]([C@@H](C)[NH3+])N2CCOC(C)(C)C2)c1 ZINC000042966602 174929922 /nfs/dbraw/zinc/92/99/22/174929922.db2.gz MOXXPRANFYYUOQ-HIFRSBDPSA-N 1 0 262.397 2.494 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1cccc(C)c1)N(CCO)C1CC1 ZINC000042967511 174932022 /nfs/dbraw/zinc/93/20/22/174932022.db2.gz NERZKPBTLCIEFF-JKSUJKDBSA-N 1 0 262.397 2.230 10 0 CEAERO NC(=O)c1ccccc1O[C@H](C[NH3+])c1ccccc1F ZINC000043047774 174957466 /nfs/dbraw/zinc/95/74/66/174957466.db2.gz RZZOFPRHHRHRAC-CQSZACIVSA-N 1 0 274.295 2.003 10 0 CEAERO CCCCOC[C@@H](O)C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000653812032 415113941 /nfs/dbraw/zinc/11/39/41/415113941.db2.gz ADJHVQPLJSVWHB-GOEBONIOSA-N 1 0 285.428 2.198 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1cnn(C)c1)N1CCc2sccc2C1 ZINC000043126526 174977943 /nfs/dbraw/zinc/97/79/43/174977943.db2.gz BCTQTLZUHHBPCF-UKRRQHHQSA-N 1 0 290.436 2.318 10 0 CEAERO Cc1nc(C)n([C@H](c2ccc(C)s2)[C@@H](C)[NH3+])n1 ZINC000043243698 174990663 /nfs/dbraw/zinc/99/06/63/174990663.db2.gz FABPAZPWNWIFNC-PELKAZGASA-N 1 0 250.371 2.201 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(C)s1)N(C)CC(=O)NC(C)C ZINC000043243147 174990720 /nfs/dbraw/zinc/99/07/20/174990720.db2.gz SFQDDVHJHOYBGA-DOMZBBRYSA-N 1 0 297.468 2.291 10 0 CEAERO Cc1nc(C)n([C@H](c2ccc(C)s2)[C@H](C)[NH3+])n1 ZINC000043243702 174990749 /nfs/dbraw/zinc/99/07/49/174990749.db2.gz FABPAZPWNWIFNC-UFBFGSQYSA-N 1 0 250.371 2.201 10 0 CEAERO Cc1ccc([C@H](Sc2nc(N)cc(N)n2)[C@@H](C)[NH3+])s1 ZINC000043247017 174991775 /nfs/dbraw/zinc/99/17/75/174991775.db2.gz RGPRTTQRIIBGJO-RDDDGLTNSA-N 1 0 295.437 2.192 10 0 CEAERO C[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300263 175001190 /nfs/dbraw/zinc/00/11/90/175001190.db2.gz POEOQSUZTHXCNW-ZYHUDNBSSA-N 1 0 273.785 2.035 10 0 CEAERO CC[NH2+][C@H](c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300914 175001463 /nfs/dbraw/zinc/00/14/63/175001463.db2.gz NCBPLSPDYIISCK-ZIAGYGMSSA-N 1 0 267.394 2.080 10 0 CEAERO C[NH2+][C@H](c1cccc(OC(C)C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300718 175001774 /nfs/dbraw/zinc/00/17/74/175001774.db2.gz RXYVSPWKPFBJOG-UKRRQHHQSA-N 1 0 297.420 2.169 10 0 CEAERO CC[NH2+][C@H]([C@@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043301132 175002062 /nfs/dbraw/zinc/00/20/62/175002062.db2.gz CHXZREZGYNSLDB-NWANDNLSSA-N 1 0 281.421 2.203 10 0 CEAERO CCC[NH2+][C@@H](c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043301396 175002085 /nfs/dbraw/zinc/00/20/85/175002085.db2.gz IDIHXFJSUGHKSF-ZFWWWQNUSA-N 1 0 297.420 2.171 10 0 CEAERO COCCN([C@H](C[NH3+])c1cccc(C)c1C)C1CC1 ZINC000043314948 175004476 /nfs/dbraw/zinc/00/44/76/175004476.db2.gz XPYWUVSNJDLCMO-MRXNPFEDSA-N 1 0 262.397 2.414 10 0 CEAERO CC[C@H]1COCCN1[C@@H](C[NH3+])c1cccc(C)c1C ZINC000043314700 175004707 /nfs/dbraw/zinc/00/47/07/175004707.db2.gz VRNFQDABXMXNDI-HOCLYGCPSA-N 1 0 262.397 2.414 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccco1)N1CCOC[C@@H]1CC ZINC000043335332 175011289 /nfs/dbraw/zinc/01/12/89/175011289.db2.gz IHDNFMFAWMIIII-OUCADQQQSA-N 1 0 252.358 2.169 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccco1)N1CCCSCC1 ZINC000043335652 175011465 /nfs/dbraw/zinc/01/14/65/175011465.db2.gz OKZKVGCLBMOMGF-YPMHNXCESA-N 1 0 254.399 2.497 10 0 CEAERO CCO[C@@H]1CCCN([C@@H](c2ccco2)[C@@H](C)[NH3+])C1 ZINC000043336009 175011786 /nfs/dbraw/zinc/01/17/86/175011786.db2.gz BEQIQNXTLHUIMZ-YRGRVCCFSA-N 1 0 252.358 2.169 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1nnnn1C1CC1)c1ccco1 ZINC000043338248 175012477 /nfs/dbraw/zinc/01/24/77/175012477.db2.gz DDUJVOQCIPJQFB-KOLCDFICSA-N 1 0 279.369 2.172 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Oc1ccc(C(N)=O)cc1)c1ccco1 ZINC000043337461 175012682 /nfs/dbraw/zinc/01/26/82/175012682.db2.gz JDXALGKUHMFKPM-GXTWGEPZSA-N 1 0 274.320 2.236 10 0 CEAERO C[C@H]([NH3+])[C@@H](Oc1ccc2c(c1)OCO2)c1ccco1 ZINC000043337397 175012690 /nfs/dbraw/zinc/01/26/90/175012690.db2.gz BIAKIBKSKBWCEB-LKFCYVNXSA-N 1 0 261.277 2.476 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccccn1)N(C)CCc1ccccn1 ZINC000043338985 175013450 /nfs/dbraw/zinc/01/34/50/175013450.db2.gz GVTKYZQAQCZRNH-RDJZCZTQSA-N 1 0 284.407 2.430 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccccn1)N(C)C[C@@H]1CCCCO1 ZINC000043340057 175013574 /nfs/dbraw/zinc/01/35/74/175013574.db2.gz XLVXEWANGGVLLU-LZWOXQAQSA-N 1 0 277.412 2.361 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccccn1)N(C)Cc1ccccn1 ZINC000043339269 175013643 /nfs/dbraw/zinc/01/36/43/175013643.db2.gz CMAQNWPNRDYRCT-GOEBONIOSA-N 1 0 270.380 2.387 10 0 CEAERO C[C@@H]([NH3+])[C@H](OCCc1ccccn1)c1ccccn1 ZINC000043343534 175015612 /nfs/dbraw/zinc/01/56/12/175015612.db2.gz QRBUCGQNBSSNEK-DOMZBBRYSA-N 1 0 257.337 2.124 10 0 CEAERO C[C@@H]([NH3+])[C@H](OC[C@@H]1CCCCO1)c1ccccn1 ZINC000043342864 175015932 /nfs/dbraw/zinc/01/59/32/175015932.db2.gz MWSWMKMUZGNACH-DYEKYZERSA-N 1 0 250.342 2.056 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1nc(C)cc(=O)[nH]1)c1ccccn1 ZINC000043344602 175016261 /nfs/dbraw/zinc/01/62/61/175016261.db2.gz YDUKGVYKLPNJFW-GWCFXTLKSA-N 1 0 290.392 2.044 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccncc1)N(C)CC(F)(F)F ZINC000043353850 175020897 /nfs/dbraw/zinc/02/08/97/175020897.db2.gz NKOCAEFYKPQBCW-GHMZBOCLSA-N 1 0 261.291 2.354 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccc(C)o1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000043363676 175023967 /nfs/dbraw/zinc/02/39/67/175023967.db2.gz FSWILXGDAGYVNP-SFDCQRBFSA-N 1 0 266.385 2.476 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccc(C)o1)N(C)C[C@@H]1CCCO1 ZINC000043364766 175025528 /nfs/dbraw/zinc/02/55/28/175025528.db2.gz LJRPIMFFYYDANA-KCQAQPDRSA-N 1 0 266.385 2.477 10 0 CEAERO CCC(CC)N(CCO)[C@@H](c1ccc(C)o1)[C@@H](C)[NH3+] ZINC000043365184 175026024 /nfs/dbraw/zinc/02/60/24/175026024.db2.gz SOZSNDYPSOSENY-IUODEOHRSA-N 1 0 268.401 2.459 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCNC1=O)c1cc(Br)cs1 ZINC000658053192 415179451 /nfs/dbraw/zinc/17/94/51/415179451.db2.gz UYSJZUCEJDPMDM-POYBYMJQSA-N 1 0 289.198 2.050 10 0 CEAERO CCOC(=O)CS[C@H](c1ccc(C)o1)[C@@H](C)[NH3+] ZINC000043367622 175027840 /nfs/dbraw/zinc/02/78/40/175027840.db2.gz KPNFJSZBUCGFBB-SKDRFNHKSA-N 1 0 257.355 2.273 10 0 CEAERO CC[C@@H]([NH3+])[C@H](N1C[C@@H](C)OC[C@@H]1CC)C(F)(F)F ZINC000043377444 175030210 /nfs/dbraw/zinc/03/02/10/175030210.db2.gz JULCATYNCSLMGJ-YTWAJWBKSA-N 1 0 268.323 2.154 10 0 CEAERO COCCN([C@H](C)C1CC1)[C@@H]([C@@H](C)[NH3+])C(F)(F)F ZINC000043379140 175030917 /nfs/dbraw/zinc/03/09/17/175030917.db2.gz IZVSGFYDKZFAPP-KKZNHRDASA-N 1 0 268.323 2.011 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Oc1ccc(CO)cc1)C(F)(F)F ZINC000043385351 175031796 /nfs/dbraw/zinc/03/17/96/175031796.db2.gz DTUHQTBWKKDBEP-GHMZBOCLSA-N 1 0 263.259 2.226 10 0 CEAERO CCCCOCCO[C@H]([C@H]([NH3+])CC)C(F)(F)F ZINC000043384724 175031825 /nfs/dbraw/zinc/03/18/25/175031825.db2.gz VFRQIHHLPSZPMQ-NXEZZACHSA-N 1 0 257.296 2.488 10 0 CEAERO OC[C@H]([NH2+]C[C@@H]1CCCO1)c1ccc(Cl)c(F)c1 ZINC000043391481 175034168 /nfs/dbraw/zinc/03/41/68/175034168.db2.gz WHDJQHYGRHGBTG-GWCFXTLKSA-N 1 0 273.735 2.281 10 0 CEAERO Cc1ccc([C@H](O)C[N@@H+](C)C2CCN(C)CC2)cc1C ZINC000043511849 175060425 /nfs/dbraw/zinc/06/04/25/175060425.db2.gz CUZQXHQZVBKCGS-QGZVFWFLSA-N 1 0 276.424 2.363 10 0 CEAERO C[NH2+]CCc1nc2cc(Br)ccc2n1C ZINC000043598786 175077284 /nfs/dbraw/zinc/07/72/84/175077284.db2.gz WLPHCMZRGXBBRF-UHFFFAOYSA-N 1 0 268.158 2.098 10 0 CEAERO [NH3+]C[C@@H]1CCCN1Cc1sccc1Br ZINC000043675795 175088317 /nfs/dbraw/zinc/08/83/17/175088317.db2.gz XCVCLLMRGLMRJP-QMMMGPOBSA-N 1 0 275.215 2.434 10 0 CEAERO CC[C@@H](C)c1ccc(NC(=O)[C@@H]2C[NH2+]CCO2)cc1 ZINC000043708511 175101723 /nfs/dbraw/zinc/10/17/23/175101723.db2.gz XFUJGWSGHNTPSZ-RISCZKNCSA-N 1 0 262.353 2.127 10 0 CEAERO C[NH2+][C@H](CN1C[C@@H](C)O[C@@H](C)C1)c1ccc(C)cc1 ZINC000043811253 175110366 /nfs/dbraw/zinc/11/03/66/175110366.db2.gz OIECDIJRXCTSKX-IJEWVQPXSA-N 1 0 262.397 2.365 10 0 CEAERO CCC[NH2+][C@@H]1CCOC[C@@H]1N(C)C1CCCCC1 ZINC000043815165 175111996 /nfs/dbraw/zinc/11/19/96/175111996.db2.gz AIBCGADYUOPFDG-CABCVRRESA-N 1 0 254.418 2.408 10 0 CEAERO CCC[NH2+][C@@H](CN(C)C)c1ccc2c(c1)OCCO2 ZINC000043816238 175112531 /nfs/dbraw/zinc/11/25/31/175112531.db2.gz IZHSGWLESPFMDK-ZDUSSCGKSA-N 1 0 264.369 2.060 10 0 CEAERO CC[NH2+][C@@H](CN(C)CC)c1ccc(OC)c(OC)c1 ZINC000043820582 175113836 /nfs/dbraw/zinc/11/38/36/175113836.db2.gz MGTUERGXDWDKCK-ZDUSSCGKSA-N 1 0 266.385 2.306 10 0 CEAERO C[NH2+][C@@H]1CCCCC[C@H]1N(C)CCc1ccccn1 ZINC000043818700 175114039 /nfs/dbraw/zinc/11/40/39/175114039.db2.gz FKBOHABKRFVSIG-HZPDHXFCSA-N 1 0 261.413 2.477 10 0 CEAERO CC[NH2+][C@H](CN(C)CC)c1ccc(OC)c(OC)c1 ZINC000043820584 175114051 /nfs/dbraw/zinc/11/40/51/175114051.db2.gz MGTUERGXDWDKCK-CYBMUJFWSA-N 1 0 266.385 2.306 10 0 CEAERO C[NH2+][C@H]1CCCCC[C@@H]1N(C)CCc1ccccn1 ZINC000043818699 175114188 /nfs/dbraw/zinc/11/41/88/175114188.db2.gz FKBOHABKRFVSIG-HOTGVXAUSA-N 1 0 261.413 2.477 10 0 CEAERO CCN(C1CCCC1)[C@H]1CC2(CC[C@@H]1[NH2+]C)OCCO2 ZINC000043890566 175118090 /nfs/dbraw/zinc/11/80/90/175118090.db2.gz DGVHVZMWSNGUKA-GJZGRUSLSA-N 1 0 282.428 2.135 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2OC[C@H]1N1CCOC(C)(C)C1 ZINC000043897927 175120390 /nfs/dbraw/zinc/12/03/90/175120390.db2.gz OZBBHTATHIJUDM-ZBFHGGJFSA-N 1 0 290.407 2.209 10 0 CEAERO CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N1CCOC(C)(C)C1 ZINC000043897806 175120547 /nfs/dbraw/zinc/12/05/47/175120547.db2.gz ODNBBMBJOQOGTE-IHRRRGAJSA-N 1 0 254.418 2.264 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2C[C@H]1N1CCOC(C)(C)C1 ZINC000043897871 175120582 /nfs/dbraw/zinc/12/05/82/175120582.db2.gz NNNQKKVMSZKVAP-HZPDHXFCSA-N 1 0 274.408 2.373 10 0 CEAERO C[NH2+][C@@H](CN(C)C1CCOCC1)c1ccccc1OC ZINC000043898140 175121393 /nfs/dbraw/zinc/12/13/93/175121393.db2.gz ZBUPQGRAVZCQQO-HNNXBMFYSA-N 1 0 278.396 2.067 10 0 CEAERO CC[NH2+][C@H](CN(C)C1CCOCC1)c1cccc(OC)c1 ZINC000043898422 175121453 /nfs/dbraw/zinc/12/14/53/175121453.db2.gz YFZSFDZUPCSLNO-QGZVFWFLSA-N 1 0 292.423 2.457 10 0 CEAERO CCOC1CCN(C[C@H]([NH2+]C)c2ccccc2OC)CC1 ZINC000043906937 175122891 /nfs/dbraw/zinc/12/28/91/175122891.db2.gz BBBVERXZAHWVKU-INIZCTEOSA-N 1 0 292.423 2.457 10 0 CEAERO CCC[NH2+][C@@H]1CCOC[C@H]1N(C)Cc1ccc(F)cc1 ZINC000043911403 175123951 /nfs/dbraw/zinc/12/39/51/175123951.db2.gz IDUDWNJBBBDIDT-HZPDHXFCSA-N 1 0 280.387 2.415 10 0 CEAERO CC[C@H]1CO[C@@H](C)CN1[C@@H]1CCCCC[C@@H]1[NH2+]C ZINC000043913707 175124562 /nfs/dbraw/zinc/12/45/62/175124562.db2.gz WPNNWBFZNNEBQY-ZQDZILKHSA-N 1 0 254.418 2.406 10 0 CEAERO CC[NH2+][C@@H]1CCCCC[C@@H]1N1CCOCC1(C)C ZINC000043916956 175125575 /nfs/dbraw/zinc/12/55/75/175125575.db2.gz IOAFOMBJAMQEEH-KGLIPLIRSA-N 1 0 254.418 2.408 10 0 CEAERO CCC[C@@H]([NH2+]C)[C@@H](CC)N(C)Cc1cnn(C)c1 ZINC000043967184 175128285 /nfs/dbraw/zinc/12/82/85/175128285.db2.gz UFNRHIVNYJFYJG-ZIAGYGMSSA-N 1 0 252.406 2.019 10 0 CEAERO CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N(C)Cc1cnn(C)c1 ZINC000043967292 175128335 /nfs/dbraw/zinc/12/83/35/175128335.db2.gz LBBQHMLIZHPZAY-BPUTZDHNSA-N 1 0 278.444 2.409 10 0 CEAERO CCC[NH2+][C@@H]1c2ccccc2OC[C@H]1N(CC)CCOC ZINC000043968809 175129605 /nfs/dbraw/zinc/12/96/05/175129605.db2.gz YIPPNSOTHRWNFY-NVXWUHKLSA-N 1 0 292.423 2.457 10 0 CEAERO CC[NH2+][C@H](CN(C)[C@@H](C)COC)c1ccccc1 ZINC000043969160 175130616 /nfs/dbraw/zinc/13/06/16/175130616.db2.gz XUEMTNGFVOVESJ-DZGCQCFKSA-N 1 0 250.386 2.304 10 0 CEAERO CCO[C@@H]1CCCN([C@@H]2CCCCC[C@@H]2[NH2+]C)C1 ZINC000043971359 175132621 /nfs/dbraw/zinc/13/26/21/175132621.db2.gz PBPSBPBPTYPUDE-QLFBSQMISA-N 1 0 254.418 2.408 10 0 CEAERO CCOC(=O)CC[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000044363832 175167708 /nfs/dbraw/zinc/16/77/08/175167708.db2.gz IVQUTDQFQVWOKB-NSHDSACASA-N 1 0 281.352 2.308 10 0 CEAERO Cc1nnc(NCC2CC[NH2+]CC2)c2ccccc12 ZINC000044509190 175187122 /nfs/dbraw/zinc/18/71/22/175187122.db2.gz XZVFLNHLPKXFAX-UHFFFAOYSA-N 1 0 256.353 2.350 10 0 CEAERO CN(C(=O)COc1ccc2c(c1)CCC[C@H]2[NH3+])C1CC1 ZINC000044732344 175240735 /nfs/dbraw/zinc/24/07/35/175240735.db2.gz WVZYZFMBCGHCIU-OAHLLOKOSA-N 1 0 274.364 2.022 10 0 CEAERO O=C1NCCCC[C@H]1[NH2+][C@H]1CCCc2cc(O)ccc21 ZINC000044747166 175242840 /nfs/dbraw/zinc/24/28/40/175242840.db2.gz MESIJWZDDZIFKR-LSDHHAIUSA-N 1 0 274.364 2.028 10 0 CEAERO Cc1cc(C)c(NC(=O)C2(C[NH3+])CCOCC2)c(C)c1 ZINC000044761986 175246452 /nfs/dbraw/zinc/24/64/52/175246452.db2.gz OOOSEDDGLQYIGU-UHFFFAOYSA-N 1 0 276.380 2.306 10 0 CEAERO CC[C@@H]1CO[C@H](C)CN1C(=O)C1(C[NH3+])CCCCCC1 ZINC000044763301 175246934 /nfs/dbraw/zinc/24/69/34/175246934.db2.gz ATTGAEFXCHMALR-ZIAGYGMSSA-N 1 0 282.428 2.312 10 0 CEAERO CCN(C[C@H]1CCCO1)C(=O)C1(C[NH3+])CCCCCC1 ZINC000044763371 175247370 /nfs/dbraw/zinc/24/73/70/175247370.db2.gz PZHQMKFJCVXOKZ-CQSZACIVSA-N 1 0 282.428 2.313 10 0 CEAERO C[C@@H]1CCCCN1C(=O)[C@H](C[NH3+])Cc1ccccc1 ZINC000044795519 175254832 /nfs/dbraw/zinc/25/48/32/175254832.db2.gz XYVAJQOWGDHGKK-HIFRSBDPSA-N 1 0 260.381 2.205 10 0 CEAERO CC[C@H](C[NH3+])C(=O)Nc1cc(C)nc2ccccc21 ZINC000044798159 175255037 /nfs/dbraw/zinc/25/50/37/175255037.db2.gz BEEOAVNCKPGYBW-LLVKDONJSA-N 1 0 257.337 2.467 10 0 CEAERO CCCC(C[NH3+])(CCC)C(=O)Nc1cnn(CC)c1 ZINC000044801481 175255744 /nfs/dbraw/zinc/25/57/44/175255744.db2.gz LHMMVPVOEYRIMX-UHFFFAOYSA-N 1 0 266.389 2.387 10 0 CEAERO C[C@H](NC(=O)[C@@H](C[NH3+])Cc1ccccc1)c1ccco1 ZINC000044801384 175255745 /nfs/dbraw/zinc/25/57/45/175255745.db2.gz DJRZSPISJIIOGR-GXTWGEPZSA-N 1 0 272.348 2.274 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)Nc1cccc(OCC)c1 ZINC000044806625 175256378 /nfs/dbraw/zinc/25/63/78/175256378.db2.gz VLOORIVIBKYOGB-NSHDSACASA-N 1 0 250.342 2.399 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N(CCC)CC(F)(F)F ZINC000044808175 175257017 /nfs/dbraw/zinc/25/70/17/175257017.db2.gz NLXVEIOYKIHPTG-SECBINFHSA-N 1 0 254.296 2.162 10 0 CEAERO COC(=O)c1cc(N)ccc1NC[C@H](C)[NH+]1CCCCC1 ZINC000045015612 175291121 /nfs/dbraw/zinc/29/11/21/175291121.db2.gz VEAIXIIRQRSEHE-LBPRGKRZSA-N 1 0 291.395 2.342 10 0 CEAERO CC(C)CCOCC[NH2+]C[C@@H](O)c1cccs1 ZINC000045106738 175308288 /nfs/dbraw/zinc/30/82/88/175308288.db2.gz VTVYYWLDVPANRX-GFCCVEGCSA-N 1 0 257.399 2.434 10 0 CEAERO CCC(CC)NC(=O)[C@H](C)[NH2+]CCOCCC(C)C ZINC000045106864 175308474 /nfs/dbraw/zinc/30/84/74/175308474.db2.gz RFCCJWRDCFDEPS-ZDUSSCGKSA-N 1 0 272.433 2.332 10 0 CEAERO CC(C)[N@@H+]1CC[C@@H](CNc2ccccc2C(N)=S)C1 ZINC000045137196 175314569 /nfs/dbraw/zinc/31/45/69/175314569.db2.gz OZVODEHZBMQFRL-LBPRGKRZSA-N 1 0 277.437 2.463 10 0 CEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N[C@H]2CC2(C)C)cc1 ZINC000045138405 175314797 /nfs/dbraw/zinc/31/47/97/175314797.db2.gz MFQQPZWHAAKTLO-AWEZNQCLSA-N 1 0 296.436 2.263 10 0 CEAERO Cc1nn(C)c(C)c1[C@H](C)[NH2+]CCc1ccccn1 ZINC000045167405 175319508 /nfs/dbraw/zinc/31/95/08/175319508.db2.gz TUEPTKMISSLNFK-NSHDSACASA-N 1 0 258.369 2.325 10 0 CEAERO Cc1nn(C)c(C)c1-c1c[nH]c(CCCCC[NH3+])n1 ZINC000045169353 175319821 /nfs/dbraw/zinc/31/98/21/175319821.db2.gz NXPRYMYFTGPPEN-UHFFFAOYSA-N 1 0 261.373 2.099 10 0 CEAERO Cc1nn(C)c(C)c1-c1c[nH]c(CCC[NH2+]C(C)C)n1 ZINC000045169572 175320669 /nfs/dbraw/zinc/32/06/69/175320669.db2.gz VOMGDURGWZJOKC-UHFFFAOYSA-N 1 0 275.400 2.358 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+][C@H](CC(C)C)C(=O)NC)c1C ZINC000045171264 175321268 /nfs/dbraw/zinc/32/12/68/175321268.db2.gz FBHWPZURXUGUTN-BXUZGUMPSA-N 1 0 294.443 2.331 10 0 CEAERO CCOC(=O)[C@@](C)(CC[N@@H+]1CCC[C@@H]1C)NC(C)C ZINC000045221794 175330671 /nfs/dbraw/zinc/33/06/71/175330671.db2.gz JZVPSPYHWZJSBP-DZGCQCFKSA-N 1 0 270.417 2.181 10 0 CEAERO CCCN[C@@](C)(C[NH+]1CCCCCCC1)C(=O)OC ZINC000045223676 175331352 /nfs/dbraw/zinc/33/13/52/175331352.db2.gz CIRYLPMRCHLYFV-HNNXBMFYSA-N 1 0 270.417 2.184 10 0 CEAERO CC[NH2+][C@](C)(CC[N@H+](C)C1CCCCC1)C(=O)[O-] ZINC000045231218 175335156 /nfs/dbraw/zinc/33/51/56/175335156.db2.gz JAERGWAFVZDQJQ-CQSZACIVSA-N 1 0 256.390 2.094 10 0 CEAERO CCCC[NH+](CCCC)C[C@@](N)(C(N)=O)c1ccccc1 ZINC000045232660 175336007 /nfs/dbraw/zinc/33/60/07/175336007.db2.gz WRRQZPRHBYYUHR-KRWDZBQOSA-N 1 0 291.439 2.228 10 0 CEAERO CCOC(=O)[C@@](C)(C[N@H+](CC)CC(C)C)NC(C)C ZINC000045264138 175337385 /nfs/dbraw/zinc/33/73/85/175337385.db2.gz JOLFISYMJYECMK-OAHLLOKOSA-N 1 0 272.433 2.284 10 0 CEAERO CCCN[C@@](C)(C[N@H+](CC)C(C)C)C(=O)OCC ZINC000045265525 175338611 /nfs/dbraw/zinc/33/86/11/175338611.db2.gz ZWZWMECYCBNBKV-AWEZNQCLSA-N 1 0 258.406 2.038 10 0 CEAERO CCCN[C@](C)(CC[N@H+](CC)C1CC1)C(=O)OCC ZINC000045267336 175339825 /nfs/dbraw/zinc/33/98/25/175339825.db2.gz CBEMITLSCBNPSI-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CCCCC[N@H+](C)CC[C@](C)(NC1CC1)C(=O)OC ZINC000045268275 175340480 /nfs/dbraw/zinc/34/04/80/175340480.db2.gz UDNYOFCVMMKYEM-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CCOC(=O)[C@@](C)(C[N@H+](C)C(CC)CC)NC(C)C ZINC000045269666 175341528 /nfs/dbraw/zinc/34/15/28/175341528.db2.gz ZTUGCXYMITUCJU-OAHLLOKOSA-N 1 0 272.433 2.427 10 0 CEAERO CCCN[C@](C)(CC[N@H+](C)[C@@H](C)C1CC1)C(=O)OC ZINC000045270347 175341619 /nfs/dbraw/zinc/34/16/19/175341619.db2.gz NRBFULPXTIBJQY-SWLSCSKDSA-N 1 0 270.417 2.038 10 0 CEAERO C[C@@](CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)([NH2+]C1CC1)C(=O)[O-] ZINC000045272130 175343134 /nfs/dbraw/zinc/34/31/34/175343134.db2.gz JLUPDHHECKCNKT-VBQJREDUSA-N 1 0 294.439 2.484 10 0 CEAERO CCCN[C@@](C)(CC[NH+](CC(C)C)CC(C)C)C(N)=O ZINC000045273856 175344408 /nfs/dbraw/zinc/34/44/08/175344408.db2.gz UOJGLNDMTBSCES-INIZCTEOSA-N 1 0 285.476 2.234 10 0 CEAERO CCCC[N@H+](C[C@@](C)(NCC)C(=O)OCC)C1CC1 ZINC000045276245 175346799 /nfs/dbraw/zinc/34/67/99/175346799.db2.gz BQKCATGTHPWTLP-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CCOC(=O)[C@](C)(N)CC[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045277405 175347141 /nfs/dbraw/zinc/34/71/41/175347141.db2.gz SLHRVEKGXMNWDI-GDBMZVCRSA-N 1 0 282.428 2.312 10 0 CEAERO CCC(CC)C[N@H+](CC)CC[C@](C)(N)C(=O)OC ZINC000045277828 175348492 /nfs/dbraw/zinc/34/84/92/175348492.db2.gz AJJATFXMCFIMBB-AWEZNQCLSA-N 1 0 258.406 2.025 10 0 CEAERO CCOC(=O)[C@](C)(C[N@H+](C)[C@@H]1CCCC[C@@H]1C)NC ZINC000045279004 175349359 /nfs/dbraw/zinc/34/93/59/175349359.db2.gz WOXUOYSCWPZYDM-GUTXKFCHSA-N 1 0 270.417 2.038 10 0 CEAERO CCOC(=O)[C@](C)(C[N@H+](C)[C@@H](C)CC(C)C)NC1CC1 ZINC000045279980 175350200 /nfs/dbraw/zinc/35/02/00/175350200.db2.gz RZGMFAKPLDJCLO-BBRMVZONSA-N 1 0 284.444 2.427 10 0 CEAERO CCN[C@](C)(CC[N@H+](CC(C)C)C(C)C)C(=O)OC ZINC000045280764 175350699 /nfs/dbraw/zinc/35/06/99/175350699.db2.gz METMSHJBEIDBRW-OAHLLOKOSA-N 1 0 272.433 2.284 10 0 CEAERO CCC1CCC([N@H+](C)CC[C@@](C)(NC)C(=O)OC)CC1 ZINC000045281145 175351512 /nfs/dbraw/zinc/35/15/12/175351512.db2.gz OWRNTPLRCCMUBV-ZBCRRDGASA-N 1 0 284.444 2.428 10 0 CEAERO CCC1CC[NH+](C[C@](C)(NC(C)C)C(=O)OC)CC1 ZINC000045281394 175352112 /nfs/dbraw/zinc/35/21/12/175352112.db2.gz OBUGZGGNWMLICY-HNNXBMFYSA-N 1 0 270.417 2.038 10 0 CEAERO CCC1CCC([N@H+](C)CC[C@@](C)(NC2CC2)C(N)=O)CC1 ZINC000045281163 175352257 /nfs/dbraw/zinc/35/22/57/175352257.db2.gz ADUJVHDJHCRHPS-PUJMQQBBSA-N 1 0 295.471 2.273 10 0 CEAERO CCCC[N@H+](C)CCCC[C@@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000045368189 175363064 /nfs/dbraw/zinc/36/30/64/175363064.db2.gz GIIXNOUFXALVOY-OAHLLOKOSA-N 1 0 270.417 2.484 10 0 CEAERO CC[N@H+](C[C@H](NC(C)C)C(=O)OC)C1CCCCC1 ZINC000045372216 175364704 /nfs/dbraw/zinc/36/47/04/175364704.db2.gz GIWDOXSIAHNMGW-AWEZNQCLSA-N 1 0 270.417 2.181 10 0 CEAERO CCOC(=O)[C@](C)([NH3+])CCCN1CCc2ccccc21 ZINC000045372799 175364987 /nfs/dbraw/zinc/36/49/87/175364987.db2.gz IZIRQVYRYCAVCZ-MRXNPFEDSA-N 1 0 276.380 2.110 10 0 CEAERO CCN[C@](C)(CCCC[NH+](CC)CC)C(=O)OC ZINC000045375842 175366527 /nfs/dbraw/zinc/36/65/27/175366527.db2.gz DHZKRMPOOAITGT-CQSZACIVSA-N 1 0 258.406 2.040 10 0 CEAERO CN[C@@](C)(CCCC[N@@H+]1CCC[C@@H](C)C1)C(=O)OC ZINC000045377179 175366949 /nfs/dbraw/zinc/36/69/49/175366949.db2.gz QIKKQUSFHNUOES-HIFRSBDPSA-N 1 0 270.417 2.040 10 0 CEAERO COC(=O)[C@](C)(CCC[N@H+](C)C(C)C)NC(C)C ZINC000045378087 175367448 /nfs/dbraw/zinc/36/74/48/175367448.db2.gz YFUYAQSPQTYVBS-AWEZNQCLSA-N 1 0 258.406 2.037 10 0 CEAERO CCOC(=O)[C@H](C[N@H+](C)C1CCCCC1)NC(C)C ZINC000045379023 175368261 /nfs/dbraw/zinc/36/82/61/175368261.db2.gz WISYYEUOLZZVIP-AWEZNQCLSA-N 1 0 270.417 2.181 10 0 CEAERO CCN(CCCC[C@](C)([NH2+]C)C(N)=O)c1ccccc1 ZINC000045379888 175368961 /nfs/dbraw/zinc/36/89/61/175368961.db2.gz SCKSYJHAYNJWJX-INIZCTEOSA-N 1 0 277.412 2.147 10 0 CEAERO CCN[C@@](C)(CCC[N@H+](C)[C@@H](C)CC)C(=O)OC ZINC000045381420 175369783 /nfs/dbraw/zinc/36/97/83/175369783.db2.gz NKGMARMNYHINQU-JSGCOSHPSA-N 1 0 258.406 2.038 10 0 CEAERO CCOC(=O)[C@H](C[N@@H+]1CCCC[C@@H]1CC)NC(C)C ZINC000045384041 175370723 /nfs/dbraw/zinc/37/07/23/175370723.db2.gz VBNXCUOCRWKCSK-KBPBESRZSA-N 1 0 270.417 2.181 10 0 CEAERO CCC[N@H+](CCCC[C@](C)([NH2+]C)C(=O)[O-])C1CC1 ZINC000045387354 175372611 /nfs/dbraw/zinc/37/26/11/175372611.db2.gz HRIOOPGGMPSBLC-AWEZNQCLSA-N 1 0 256.390 2.094 10 0 CEAERO CCC[N@H+](CCC[C@](C)([NH2+]C(C)C)C(=O)[O-])C1CC1 ZINC000045387531 175373009 /nfs/dbraw/zinc/37/30/09/175373009.db2.gz KEFVVCVKNVPXLC-HNNXBMFYSA-N 1 0 270.417 2.482 10 0 CEAERO CCCCC[N@H+](C)CCC[C@@](C)(NC)C(=O)OCC ZINC000045388124 175373808 /nfs/dbraw/zinc/37/38/08/175373808.db2.gz UUZDIHVXZBHYOO-OAHLLOKOSA-N 1 0 272.433 2.430 10 0 CEAERO CC[N@H+](CCCC[C@](C)([NH3+])C(=O)[O-])C1CCCC1 ZINC000045390217 175374819 /nfs/dbraw/zinc/37/48/19/175374819.db2.gz SZLIHCMTMDHMOA-AWEZNQCLSA-N 1 0 256.390 2.223 10 0 CEAERO CCOC(=O)[C@@](C)(N)CCC[N@@H+]1CCC[C@@H](CC)C1 ZINC000045393466 175376010 /nfs/dbraw/zinc/37/60/10/175376010.db2.gz IXRILYXLQDGAJS-HIFRSBDPSA-N 1 0 270.417 2.169 10 0 CEAERO CCOC(=O)[C@@](C)([NH3+])CCCN(CC(F)(F)F)C(C)C ZINC000045420510 175379173 /nfs/dbraw/zinc/37/91/73/175379173.db2.gz BNBWEOGCWNVBNV-LBPRGKRZSA-N 1 0 298.349 2.320 10 0 CEAERO COc1cc(C)ccc1[C@H](C)[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000658244524 415280958 /nfs/dbraw/zinc/28/09/58/415280958.db2.gz LQNCUIXCDHVRPR-QWHCGFSZSA-N 1 0 276.380 2.133 10 0 CEAERO COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000658244522 415281641 /nfs/dbraw/zinc/28/16/41/415281641.db2.gz LQNCUIXCDHVRPR-CHWSQXEVSA-N 1 0 276.380 2.133 10 0 CEAERO COc1ccc2c(c1)CN(C(=O)CC[C@H]1CCC[NH2+]1)C2 ZINC000655502195 415310928 /nfs/dbraw/zinc/31/09/28/415310928.db2.gz CXAZOUSSSNIYAQ-CQSZACIVSA-N 1 0 274.364 2.070 10 0 CEAERO CC1(C)[C@H]([NH2+]C[C@H]2CCOC2(C)C)[C@H]2CCO[C@@H]21 ZINC000658332461 415322508 /nfs/dbraw/zinc/32/25/08/415322508.db2.gz UOWPYMOUUCZLMW-LPWJVIDDSA-N 1 0 253.386 2.205 10 0 CEAERO CC[C@H]([NH2+]C)c1nnc(-c2ccc3c(c2)OCCO3)o1 ZINC000061511769 175649642 /nfs/dbraw/zinc/64/96/42/175649642.db2.gz WDMOEPYLAJOTND-JTQLQIEISA-N 1 0 275.308 2.178 10 0 CEAERO CN1CCN(C(=[NH2+])c2ccc(Br)cc2)CC1 ZINC000062995644 175680267 /nfs/dbraw/zinc/68/02/67/175680267.db2.gz IEGQYLNFBOKHTB-UHFFFAOYSA-N 1 0 282.185 2.022 10 0 CEAERO C[C@@H]1CC[N@H+](C[C@H](O)COCc2ccccc2)C[C@H](C)O1 ZINC000661855842 415502393 /nfs/dbraw/zinc/50/23/93/415502393.db2.gz JLBQCHPYFNFZNH-VYDXJSESSA-N 1 0 293.407 2.063 10 0 CEAERO CCC[C@H]1C[C@]([NH2+]C2CCCCC2)(C(N)=O)CCO1 ZINC000070367816 175898088 /nfs/dbraw/zinc/89/80/88/175898088.db2.gz IWUMYZRSPXQHGB-ZFWWWQNUSA-N 1 0 268.401 2.112 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccc(OC)cc1O[C@H](C)COC ZINC000070378223 175900418 /nfs/dbraw/zinc/90/04/18/175900418.db2.gz NBARVXDUEPUDAU-DGCLKSJQSA-N 1 0 267.369 2.389 10 0 CEAERO [NH3+]CCc1cccc(-c2nc(-c3ccoc3)no2)c1 ZINC000070414133 175915245 /nfs/dbraw/zinc/91/52/45/175915245.db2.gz COOADPUTOSOEFG-UHFFFAOYSA-N 1 0 255.277 2.498 10 0 CEAERO C[NH2+]C[C@H](CCOCCOC)Cc1cccc(F)c1 ZINC000070483138 175953387 /nfs/dbraw/zinc/95/33/87/175953387.db2.gz FJUUHJPFRVQETB-CQSZACIVSA-N 1 0 269.360 2.257 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)CCCCOc1ccccc1CO ZINC000070516403 175965365 /nfs/dbraw/zinc/96/53/65/175965365.db2.gz KHNAEINFKWRHSP-KRWDZBQOSA-N 1 0 295.423 2.477 10 0 CEAERO CC[NH2+]C[C@H](C)CN1C(=O)NC2(CCCCCCC2)C1=O ZINC000070526702 175971099 /nfs/dbraw/zinc/97/10/99/175971099.db2.gz PIQRRVZYJQBLFZ-ZDUSSCGKSA-N 1 0 295.427 2.267 10 0 CEAERO Cc1sc2ncn(C[C@@H](C)C[NH2+]C3CC3)c(=O)c2c1C ZINC000070527172 175971530 /nfs/dbraw/zinc/97/15/30/175971530.db2.gz UTSQFSLOXDRTGK-VIFPVBQESA-N 1 0 291.420 2.463 10 0 CEAERO CCC[C@]1(C(=O)N[C@H]2COc3ccccc32)CCC[NH2+]C1 ZINC000070530705 175973329 /nfs/dbraw/zinc/97/33/29/175973329.db2.gz OHAQFOZAGNTXSP-YOEHRIQHSA-N 1 0 288.391 2.406 10 0 CEAERO [NH3+][C@@H]1CCC[C@H](c2nc(Cc3ccc(O)cc3)no2)C1 ZINC000070557252 175985319 /nfs/dbraw/zinc/98/53/19/175985319.db2.gz VKFLKOLCIBYOHK-NWDGAFQWSA-N 1 0 273.336 2.351 10 0 CEAERO COCCNC(=[NH2+])c1ccc(Br)s1 ZINC000070598089 175995380 /nfs/dbraw/zinc/99/53/80/175995380.db2.gz LBZXSHPCLFHSRY-UHFFFAOYSA-N 1 0 263.160 2.072 10 0 CEAERO C[NH2+]Cc1ccn(Cc2ccccc2Br)n1 ZINC000070708959 176002965 /nfs/dbraw/zinc/00/29/65/176002965.db2.gz BMXAJQXYNACTRL-UHFFFAOYSA-N 1 0 280.169 2.413 10 0 CEAERO C[NH2+]C[C@@H]1CCN(Cc2ccc(Br)o2)C1 ZINC000070798645 176005613 /nfs/dbraw/zinc/00/56/13/176005613.db2.gz VNAGHDOVCUZYRO-VIFPVBQESA-N 1 0 273.174 2.083 10 0 CEAERO C[NH2+]C[C@H]1CCN(Cc2ccc(Br)o2)C1 ZINC000070798647 176005774 /nfs/dbraw/zinc/00/57/74/176005774.db2.gz VNAGHDOVCUZYRO-SECBINFHSA-N 1 0 273.174 2.083 10 0 CEAERO CN(C[C@@H]1CC[N@H+](C)C1)c1ncccc1Br ZINC000070823929 176007505 /nfs/dbraw/zinc/00/75/05/176007505.db2.gz PIVUAVUFPSZCAD-SNVBAGLBSA-N 1 0 284.201 2.232 10 0 CEAERO Nc1cccc(Cl)c1SC[C@H]1C[NH2+]CCO1 ZINC000070834404 176007845 /nfs/dbraw/zinc/00/78/45/176007845.db2.gz MZQZKMYKNFFIGM-MRVPVSSYSA-N 1 0 258.774 2.003 10 0 CEAERO [NH3+]Cc1cc(F)ccc1CSc1nncs1 ZINC000070849665 176008736 /nfs/dbraw/zinc/00/87/36/176008736.db2.gz ASBDSOGKDAWYEF-UHFFFAOYSA-N 1 0 255.343 2.428 10 0 CEAERO Cc1ccc([C@@H]2[C@@H]([NH3+])CCC(=O)N2C2CC2)cc1C ZINC000070987591 176018608 /nfs/dbraw/zinc/01/86/08/176018608.db2.gz OZFCJDRBFOFSPA-GOEBONIOSA-N 1 0 258.365 2.457 10 0 CEAERO C[C@@H]1CCC[C@H](CC[NH2+]CCCS(C)(=O)=O)C1 ZINC000071029701 176021786 /nfs/dbraw/zinc/02/17/86/176021786.db2.gz INCBXNKTSZLFBW-CHWSQXEVSA-N 1 0 261.431 2.227 10 0 CEAERO C[C@H]1CCC[C@@H](CC[NH2+]CCCS(C)(=O)=O)C1 ZINC000071029704 176021790 /nfs/dbraw/zinc/02/17/90/176021790.db2.gz INCBXNKTSZLFBW-STQMWFEESA-N 1 0 261.431 2.227 10 0 CEAERO COC(=O)C1CC[NH+](C[C@@H]2OCCc3ccccc32)CC1 ZINC000071030807 176021852 /nfs/dbraw/zinc/02/18/52/176021852.db2.gz HJWNSSNZYWNAEV-INIZCTEOSA-N 1 0 289.375 2.185 10 0 CEAERO C[C@H](Cc1ccc(F)cc1)N1CCC[C@@H]([NH2+]C2CC2)C1=O ZINC000071031284 176022607 /nfs/dbraw/zinc/02/26/07/176022607.db2.gz UKNASYAVVSVZCC-MLGOLLRUSA-N 1 0 290.382 2.500 10 0 CEAERO Cc1c(F)cccc1N1CC[C@@H]([NH2+]C(C)C)C1=O ZINC000071031638 176022927 /nfs/dbraw/zinc/02/29/27/176022927.db2.gz ZXCZJZHGVHAKHV-GFCCVEGCSA-N 1 0 250.317 2.237 10 0 CEAERO C[C@H](c1cccc(F)c1)N1CC[C@H]([NH2+]C2CC2)C1=O ZINC000071034923 176024782 /nfs/dbraw/zinc/02/47/82/176024782.db2.gz GSZALWPIFVLEAJ-YGRLFVJLSA-N 1 0 262.328 2.240 10 0 CEAERO COc1ccc(CCN2CCC[C@@H]([NH2+]C(C)C)C2=O)cc1 ZINC000071037673 176026867 /nfs/dbraw/zinc/02/68/67/176026867.db2.gz SWCYKLGPQVNLMN-MRXNPFEDSA-N 1 0 290.407 2.227 10 0 CEAERO CCC[NH2+][C@@H]1CCCN([C@@H](C)c2ccccn2)C1=O ZINC000071040326 176027612 /nfs/dbraw/zinc/02/76/12/176027612.db2.gz DTFRKQNAIDAXMC-GXTWGEPZSA-N 1 0 261.369 2.133 10 0 CEAERO CCC[NH2+][C@@H]1CCCN(c2ccc(OC)cc2C)C1=O ZINC000071042621 176028572 /nfs/dbraw/zinc/02/85/72/176028572.db2.gz JXJGJFIJFVKNQF-CQSZACIVSA-N 1 0 276.380 2.499 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN(c2cnc3ccccc3c2)C1=O ZINC000071042704 176028680 /nfs/dbraw/zinc/02/86/80/176028680.db2.gz YQXXTKOEVMHPFV-OAHLLOKOSA-N 1 0 269.348 2.338 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCCN1c1cnc2ccccc2c1 ZINC000071042726 176028804 /nfs/dbraw/zinc/02/88/04/176028804.db2.gz HCQQZYMBDWOISC-INIZCTEOSA-N 1 0 281.359 2.482 10 0 CEAERO CC[NH2+][C@H]1CCCN([C@H](C)c2ccsc2)C1=O ZINC000071042827 176029233 /nfs/dbraw/zinc/02/92/33/176029233.db2.gz FUIQSZGPQRWHRB-PWSUYJOCSA-N 1 0 252.383 2.410 10 0 CEAERO CC[NH2+][C@@H]1CCCN([C@@H]2CCOc3ccccc32)C1=O ZINC000071043252 176029435 /nfs/dbraw/zinc/02/94/35/176029435.db2.gz YYAGEGKVKHCXAA-ZIAGYGMSSA-N 1 0 274.364 2.111 10 0 CEAERO CCC[NH2+]CCN(C)C[C@@H]1OCCc2ccccc21 ZINC000071091629 176031982 /nfs/dbraw/zinc/03/19/82/176031982.db2.gz BNXOIFHUEFOFKD-INIZCTEOSA-N 1 0 262.397 2.232 10 0 CEAERO CC[C@@H]1CCC[C@@](CN)([NH+]2CCC(OC)CC2)C1 ZINC000071123286 176034768 /nfs/dbraw/zinc/03/47/68/176034768.db2.gz IRHMWYYCUXQNNP-UKRRQHHQSA-N 1 0 254.418 2.395 10 0 CEAERO CCC[NH2+][C@H](c1ccc(CCOC)cc1)[C@@H]1COCCO1 ZINC000071138255 176037195 /nfs/dbraw/zinc/03/71/95/176037195.db2.gz ZIJWMCYNXHHJEO-DLBZAZTESA-N 1 0 293.407 2.332 10 0 CEAERO CCCCC[C@@H]([NH3+])c1ccc2c(c1)C(=O)N(C)C(=O)C2 ZINC000071139404 176037977 /nfs/dbraw/zinc/03/79/77/176037977.db2.gz CORQKJFHTLAOPF-CQSZACIVSA-N 1 0 274.364 2.421 10 0 CEAERO C[C@@H]1CCC[C@@H]([N@H+](CC(N)=O)Cc2ccccc2N)C1 ZINC000071150540 176045217 /nfs/dbraw/zinc/04/52/17/176045217.db2.gz QOBFFVVYLAJBFX-TZMCWYRMSA-N 1 0 275.396 2.135 10 0 CEAERO CC[C@H]1CCCC[C@@]1(C[NH3+])N1CCOC(C)(C)C1 ZINC000071161680 176046019 /nfs/dbraw/zinc/04/60/19/176046019.db2.gz YHGFTGBQXCWXIA-ZFWWWQNUSA-N 1 0 254.418 2.395 10 0 CEAERO CCC[N@H+](C)[C@@](C)(CN)Cc1ccc(OC)cc1 ZINC000071169105 176049721 /nfs/dbraw/zinc/04/97/21/176049721.db2.gz SAKSKSSWBRWQSD-OAHLLOKOSA-N 1 0 250.386 2.297 10 0 CEAERO NC(=[NH2+])c1cnc(Oc2ccc3c(c2)CCCC3)cn1 ZINC000071180487 176056444 /nfs/dbraw/zinc/05/64/44/176056444.db2.gz BBJZUQMXKOJINN-UHFFFAOYSA-N 1 0 268.320 2.432 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(F)cc1O[C@@H]1CCN(C)C1=O ZINC000071183189 176058389 /nfs/dbraw/zinc/05/83/89/176058389.db2.gz FVPJFWCASNUUIZ-ZWNOBZJWSA-N 1 0 280.343 2.106 10 0 CEAERO Cc1c(C)c(N(C)CC[NH+]2CCCC2)nnc1Cl ZINC000071187178 176060912 /nfs/dbraw/zinc/06/09/12/176060912.db2.gz ASJZZHVJFRCTAN-UHFFFAOYSA-N 1 0 268.792 2.279 10 0 CEAERO C[C@H]1CCC[C@@H]1NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000071209026 176081843 /nfs/dbraw/zinc/08/18/43/176081843.db2.gz GJQVGCXWVPEJQM-TUKIKUTGSA-N 1 0 258.365 2.006 10 0 CEAERO CCC[C@@]1(CNCc2scnc2C)CC[NH2+]C1 ZINC000071213778 176085225 /nfs/dbraw/zinc/08/52/25/176085225.db2.gz COWIKKQXPRICND-CYBMUJFWSA-N 1 0 253.415 2.321 10 0 CEAERO COCCN(CCC[NH3+])c1nccc2sccc21 ZINC000071223774 176088350 /nfs/dbraw/zinc/08/83/50/176088350.db2.gz YDXQNXVNLWECHK-UHFFFAOYSA-N 1 0 265.382 2.098 10 0 CEAERO CC[N@H+](Cc1ccc(F)cc1C(N)=S)C1CC1 ZINC000071265733 176099364 /nfs/dbraw/zinc/09/93/64/176099364.db2.gz MNVFGAPCJSTJPE-UHFFFAOYSA-N 1 0 252.358 2.444 10 0 CEAERO COc1ccc(C2CC([NH2+]Cc3nccn3C)C2)cc1 ZINC000071273212 176105034 /nfs/dbraw/zinc/10/50/34/176105034.db2.gz SMBYCIKBDUYQOR-UHFFFAOYSA-N 1 0 271.364 2.465 10 0 CEAERO CCOC(=O)CCCCC[NH2+][C@H]1CCC[C@H]1OC ZINC000071294004 176111811 /nfs/dbraw/zinc/11/18/11/176111811.db2.gz KURNPHCGECMCGL-QWHCGFSZSA-N 1 0 257.374 2.267 10 0 CEAERO CC[C@@H]([NH2+]C[C@@H](O)C1CC1)c1ccc2c(c1)CCO2 ZINC000071302309 176114412 /nfs/dbraw/zinc/11/44/12/176114412.db2.gz HZNHCDKWCRMGRG-HUUCEWRRSA-N 1 0 261.365 2.433 10 0 CEAERO CCN(C(=O)Cc1c(F)cccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000071312515 176119131 /nfs/dbraw/zinc/11/91/31/176119131.db2.gz YWSBKFJSRTUVAA-SNVBAGLBSA-N 1 0 284.762 2.232 10 0 CEAERO CCN(C(=O)[C@H](C)Oc1cccc(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000071312462 176119132 /nfs/dbraw/zinc/11/91/32/176119132.db2.gz SBJLLYLOEJNOJI-AAEUAGOBSA-N 1 0 296.798 2.318 10 0 CEAERO CCN(C(=O)c1cccc(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000071312505 176119375 /nfs/dbraw/zinc/11/93/75/176119375.db2.gz OODXZBGLEQFXPX-GFCCVEGCSA-N 1 0 297.196 2.273 10 0 CEAERO CCN(Cc1csc(C(C)C)n1)[C@@H]1CC[NH2+]C1 ZINC000071314106 176120304 /nfs/dbraw/zinc/12/03/04/176120304.db2.gz YEMHRWMQZBMILE-GFCCVEGCSA-N 1 0 253.415 2.450 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCN1Cc1ccc(Cl)s1 ZINC000071321631 176122300 /nfs/dbraw/zinc/12/23/00/176122300.db2.gz SCCDXURHNAGUAD-SNVBAGLBSA-N 1 0 270.785 2.254 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]Cc2ccnn2C)c1C ZINC000071333662 176126488 /nfs/dbraw/zinc/12/64/88/176126488.db2.gz MIIHWEWYQDHXPJ-JTQLQIEISA-N 1 0 261.373 2.104 10 0 CEAERO CC(C)(C)OC(=O)N1CC([NH2+]CC2CCCC2)C1 ZINC000071335492 176127041 /nfs/dbraw/zinc/12/70/41/176127041.db2.gz CXDDBINHSKJIIM-UHFFFAOYSA-N 1 0 254.374 2.386 10 0 CEAERO Cc1ccccc1CCC(=O)NC[C@H]1[NH2+]CCC[C@H]1C ZINC000071338780 176128919 /nfs/dbraw/zinc/12/89/19/176128919.db2.gz QCJJTRPRMREEHL-GDBMZVCRSA-N 1 0 274.408 2.432 10 0 CEAERO Cc1ccc(CCC(=O)NC[C@H]2[NH2+]CCC[C@H]2C)cc1 ZINC000071338816 176128967 /nfs/dbraw/zinc/12/89/67/176128967.db2.gz MXBURYSFUFFBES-GDBMZVCRSA-N 1 0 274.408 2.432 10 0 CEAERO C[C@@H]1CCC[NH2+][C@@H]1CNC(=O)c1cc(F)c(F)c(F)c1 ZINC000071338744 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O=C(C[C@H]1CCC[NH2+]C1)N1CCC(C2CCC2)CC1 ZINC000662631075 415913516 /nfs/dbraw/zinc/91/35/16/415913516.db2.gz PBEFEQOXMBKEHV-CYBMUJFWSA-N 1 0 264.413 2.415 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCC[C@@H](C2CCC2)C1 ZINC000662716485 415941277 /nfs/dbraw/zinc/94/12/77/415941277.db2.gz UEFWNALKMQWJTM-KGLIPLIRSA-N 1 0 252.402 2.399 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)N1CCC[C@H](C2CCC2)C1 ZINC000662716544 415942134 /nfs/dbraw/zinc/94/21/34/415942134.db2.gz UVZNDTBOZVPSOB-ZFWWWQNUSA-N 1 0 264.413 2.415 10 0 CEAERO CC(C)[C@H]([NH3+])CCNC(=O)[C@H](C)OCc1ccccc1 ZINC000662727072 415945785 /nfs/dbraw/zinc/94/57/85/415945785.db2.gz OXKFPRJPCFKURF-DZGCQCFKSA-N 1 0 278.396 2.081 10 0 CEAERO O=C([C@@H]1CC[NH2+]C1)N1CCC[C@H](C2CCCCC2)C1 ZINC000662741550 415951235 /nfs/dbraw/zinc/95/12/35/415951235.db2.gz NLWGFFIZQYBSGL-CABCVRRESA-N 1 0 264.413 2.415 10 0 CEAERO COc1ccc(OC)c(C(=O)[C@@H](C[NH3+])C(C)C)c1 ZINC000075730755 176763611 /nfs/dbraw/zinc/76/36/11/176763611.db2.gz HCVKVRFVFGHKJO-LBPRGKRZSA-N 1 0 251.326 2.117 10 0 CEAERO COc1cc(C)c(C(=O)[C@H](C)[NH2+]C2CC2)cc1OC ZINC000076362317 177002770 /nfs/dbraw/zinc/00/27/70/177002770.db2.gz VBVJRIZJNAZBHZ-JTQLQIEISA-N 1 0 263.337 2.335 10 0 CEAERO COc1cc([C@@H](C[NH3+])N(C)C2CC2)c(OC)cc1C ZINC000076368651 177005647 /nfs/dbraw/zinc/00/56/47/177005647.db2.gz BKGIOYNHLSJTDD-CYBMUJFWSA-N 1 0 264.369 2.106 10 0 CEAERO CC(=O)c1ccc(NC(=O)[C@H](CC[NH3+])C(C)C)cc1 ZINC000076674772 177055661 /nfs/dbraw/zinc/05/56/61/177055661.db2.gz HLZFVHVPGUQRLI-CQSZACIVSA-N 1 0 262.353 2.449 10 0 CEAERO C[C@H](C[NH3+])CC(=O)Nc1ccccc1Br ZINC000076710916 177067766 /nfs/dbraw/zinc/06/77/66/177067766.db2.gz HNCUOBJIBMZBOV-QMMMGPOBSA-N 1 0 271.158 2.373 10 0 CEAERO Cc1ccc(CN2CC[NH+](CCn3ccnc3)CC2)cc1 ZINC000077120169 177226640 /nfs/dbraw/zinc/22/66/40/177226640.db2.gz IVTCLQZTEYWSMI-UHFFFAOYSA-N 1 0 284.407 2.009 10 0 CEAERO CC[N@H+](Cc1cc(C(C)=O)ccc1OC)CC(C)(C)O ZINC000078738778 177380143 /nfs/dbraw/zinc/38/01/43/177380143.db2.gz IBAJJNBDHFAVRM-UHFFFAOYSA-N 1 0 279.380 2.491 10 0 CEAERO C[C@H]1CCCCC[N@@H+]1CCCn1cnc2c1ncnc2N ZINC000078748844 177381663 /nfs/dbraw/zinc/38/16/63/177381663.db2.gz YRGKYEVEKHFWGF-LBPRGKRZSA-N 1 0 288.399 2.063 10 0 CEAERO CCOc1cc2c(cc1C[NH2+]CC[C@H](C)O)O[C@@H](C)C2 ZINC000078781960 177387710 /nfs/dbraw/zinc/38/77/10/177387710.db2.gz YXNOVPBJOSIUAN-RYUDHWBXSA-N 1 0 279.380 2.269 10 0 CEAERO CC[C@H](CC[NH3+])CCC(=O)N(C)Cc1ccco1 ZINC000079207934 177446007 /nfs/dbraw/zinc/44/60/07/177446007.db2.gz RNNHEIIDZWUFAM-LBPRGKRZSA-N 1 0 252.358 2.393 10 0 CEAERO CC[C@H](CC[NH3+])CCC(=O)NCc1cccc(OC)c1 ZINC000079209331 177446791 /nfs/dbraw/zinc/44/67/91/177446791.db2.gz ORDNTMUJXLEHKB-ZDUSSCGKSA-N 1 0 278.396 2.467 10 0 CEAERO CC[C@H](CC[NH3+])CCC(=O)Nc1ccc(NC(N)=O)cc1 ZINC000079209076 177446839 /nfs/dbraw/zinc/44/68/39/177446839.db2.gz LNGZPNAPCMKVEG-NSHDSACASA-N 1 0 292.383 2.271 10 0 CEAERO CC[C@@H](CC[NH3+])CCC(=O)N=c1[nH]c2ccccc2[nH]1 ZINC000079213439 177449158 /nfs/dbraw/zinc/44/91/58/177449158.db2.gz PULIGSZXAWSUQE-LLVKDONJSA-N 1 0 274.368 2.079 10 0 CEAERO CC(C)[C@H]1CCC(=O)N(Cc2cccnc2C[NH3+])CC1 ZINC000079248330 177456527 /nfs/dbraw/zinc/45/65/27/177456527.db2.gz HHKKJPRZBUHDMM-ZDUSSCGKSA-N 1 0 275.396 2.325 10 0 CEAERO Cc1nnc([C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])n1-c1ccccc1 ZINC000079559647 177520085 /nfs/dbraw/zinc/52/00/85/177520085.db2.gz JOLKGCWBDLMKDP-DHMWGJHJSA-N 1 0 268.364 2.417 10 0 CEAERO Cc1nn(C)c(N2CCC[C@H](C(C)C)CC2)c1C[NH3+] ZINC000079298291 177466670 /nfs/dbraw/zinc/46/66/70/177466670.db2.gz OTVCLYFWCRQDCD-ZDUSSCGKSA-N 1 0 264.417 2.450 10 0 CEAERO [NH3+]CCCN(c1nccn2cnnc12)C1CCCCCC1 ZINC000079454935 177493489 /nfs/dbraw/zinc/49/34/89/177493489.db2.gz PXROJFPTVBXPHJ-UHFFFAOYSA-N 1 0 288.399 2.002 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])o1 ZINC000079526626 177516330 /nfs/dbraw/zinc/51/63/30/177516330.db2.gz ZRYQMVKDCWPOAK-CDCRFNPESA-N 1 0 262.353 2.139 10 0 CEAERO CCC[C@H](COC)[NH2+]C[C@@H](O)COCc1cccs1 ZINC000079744771 177549745 /nfs/dbraw/zinc/54/97/45/177549745.db2.gz HBUANJXNUQYORW-CHWSQXEVSA-N 1 0 287.425 2.030 10 0 CEAERO CCC[NH2+]Cc1cn(CCOCC(F)(F)F)nc1C ZINC000080074541 177604915 /nfs/dbraw/zinc/60/49/15/177604915.db2.gz CBEWKAPAVFLDMY-UHFFFAOYSA-N 1 0 279.306 2.270 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000136336705 419443802 /nfs/dbraw/zinc/44/38/02/419443802.db2.gz SXNKCYNHFPIOKU-AWEZNQCLSA-N 1 0 290.411 2.384 10 0 CEAERO COc1cccc([C@@H](C)NC(=O)C[C@H]([NH3+])C(C)C)c1 ZINC000136366868 419443817 /nfs/dbraw/zinc/44/38/17/419443817.db2.gz OKZPGPKXKFXBIT-RISCZKNCSA-N 1 0 264.369 2.246 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)Nc1ccccc1-n1cccn1 ZINC000136342217 419445134 /nfs/dbraw/zinc/44/51/34/419445134.db2.gz BPLQGVYMXGJLSW-GFCCVEGCSA-N 1 0 272.352 2.184 10 0 CEAERO COCc1cccc(NC(=O)C[C@@H]([NH3+])C(C)C)c1 ZINC000136322621 419445372 /nfs/dbraw/zinc/44/53/72/419445372.db2.gz SNNPJZPWMGXIEZ-CYBMUJFWSA-N 1 0 250.342 2.145 10 0 CEAERO CCNC(=O)c1ccc(NC(=O)C[C@@H]([NH3+])C(C)C)c(C)c1 ZINC000136370332 419447901 /nfs/dbraw/zinc/44/79/01/419447901.db2.gz JUILEUZZFLJGBZ-CYBMUJFWSA-N 1 0 291.395 2.057 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)Cc1ccc(F)cc1F ZINC000136383866 419448276 /nfs/dbraw/zinc/44/82/76/419448276.db2.gz GMHUWXYAHFAMSV-ZDUSSCGKSA-N 1 0 270.323 2.297 10 0 CEAERO C[C@H](NC(=O)CC[C@@H]([NH3+])c1ccccc1)[C@@H]1CCCO1 ZINC000221712613 419465477 /nfs/dbraw/zinc/46/54/77/419465477.db2.gz XIWZEWRSASWBFA-CFVMTHIKSA-N 1 0 276.380 2.150 10 0 CEAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000667851207 419828543 /nfs/dbraw/zinc/82/85/43/419828543.db2.gz HEMPTVJFNJMDDW-RBSFLKMASA-N 1 0 254.418 2.120 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)NCC1(C2CC2)CCC1 ZINC000393334359 270342197 /nfs/dbraw/zinc/34/21/97/270342197.db2.gz XEZXIVBCJGSFML-LBPRGKRZSA-N 1 0 250.386 2.073 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]CCc2cscn2)C12CCOCC2 ZINC000186390726 260076674 /nfs/dbraw/zinc/07/66/74/260076674.db2.gz NZXXRTOFYPLGSA-UONOGXRCSA-N 1 0 296.436 2.249 10 0 CEAERO C[C@H](CC[NH2+][C@@H](C)[C@@H]1CCOC1)NC(=O)OC(C)(C)C ZINC000180519145 260104444 /nfs/dbraw/zinc/10/44/44/260104444.db2.gz CFGLDGMRQKEGDH-FRRDWIJNSA-N 1 0 286.416 2.304 10 0 CEAERO CCN(C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C)C1CC1 ZINC000179147079 265705612 /nfs/dbraw/zinc/70/56/12/265705612.db2.gz NFLGENJQJWOAME-CQSZACIVSA-N 1 0 267.417 2.301 10 0 CEAERO C[C@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)[C@H]1CCCO1 ZINC000044276751 270229385 /nfs/dbraw/zinc/22/93/85/270229385.db2.gz DLWZADLYDXLQFZ-SWLSCSKDSA-N 1 0 291.395 2.437 10 0 CEAERO COC1CCC([NH2+][C@@H](CO)Cc2ccc(C)cc2)CC1 ZINC000191579329 270273740 /nfs/dbraw/zinc/27/37/40/270273740.db2.gz SVKNBZGBBHQBJM-AQFXKWCLSA-N 1 0 277.408 2.446 10 0 CEAERO CCN(C(=O)N[C@H](CC(C)C)C[NH+](C)C)C1CC1 ZINC000194191324 270294109 /nfs/dbraw/zinc/29/41/09/270294109.db2.gz MNIPUVZWQVICJZ-GFCCVEGCSA-N 1 0 255.406 2.157 10 0 CEAERO CCC[C@H](C(=O)NCC1(SC)CCC1)[NH+](C)C ZINC000194620364 270301425 /nfs/dbraw/zinc/30/14/25/270301425.db2.gz YDPRBPCUXRKHHF-LLVKDONJSA-N 1 0 258.431 2.119 10 0 CEAERO Cc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)c(Cl)c1 ZINC000392928461 270341978 /nfs/dbraw/zinc/34/19/78/270341978.db2.gz NQTWQJZERBWJTH-GXFFZTMASA-N 1 0 266.772 2.405 10 0 CEAERO CCCCN(CCCC)C(=O)C[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000395159865 270345396 /nfs/dbraw/zinc/34/53/96/270345396.db2.gz MZSVWKUOLCIUHI-GJZGRUSLSA-N 1 0 284.444 2.260 10 0 CEAERO CC[C@](C)(O)C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000396483229 270349703 /nfs/dbraw/zinc/34/97/03/270349703.db2.gz MXRJQVLRLUUPLC-RDJZCZTQSA-N 1 0 276.424 2.354 10 0 CEAERO CCc1nc(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)cs1 ZINC000398732292 270362294 /nfs/dbraw/zinc/36/22/94/270362294.db2.gz LRZNTVGYQVMEGJ-GVXVVHGQSA-N 1 0 266.410 2.298 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)Nc1cccc(Br)c1 ZINC000398727636 270362492 /nfs/dbraw/zinc/36/24/92/270362492.db2.gz LLKZWWIBMKHRGA-QMMMGPOBSA-N 1 0 286.173 2.179 10 0 CEAERO COc1cccc(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)c1 ZINC000398760702 270362533 /nfs/dbraw/zinc/36/25/33/270362533.db2.gz 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274906414 /nfs/dbraw/zinc/90/64/14/274906414.db2.gz ARIYPOXYEOLIOP-ONGXEEELSA-N 1 0 271.286 2.289 10 0 CEAERO [NH3+][C@H]1CCCN(c2ncc(Br)cc2Cl)C1 ZINC000236331013 274962208 /nfs/dbraw/zinc/96/22/08/274962208.db2.gz DOHOUGGDJMPODF-QMMMGPOBSA-N 1 0 290.592 2.425 10 0 CEAERO c1cc2c3ccccc3nc(C3CC[NH2+]CC3)n2n1 ZINC000408525964 275065670 /nfs/dbraw/zinc/06/56/70/275065670.db2.gz SWTCWASCVUJFPU-UHFFFAOYSA-N 1 0 252.321 2.350 10 0 CEAERO c1ccc2c(c1)OC[C@H]2N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130229592 275070633 /nfs/dbraw/zinc/07/06/33/275070633.db2.gz OQKDNFXVWXNZBB-UMVBOHGHSA-N 1 0 258.365 2.337 10 0 CEAERO c1csc(-c2nc3c(c(N4CC[NH2+]CC4)n2)CCC3)c1 ZINC000057328772 275074795 /nfs/dbraw/zinc/07/47/95/275074795.db2.gz CZTCSAATGHDSDP-UHFFFAOYSA-N 1 0 286.404 2.103 10 0 CEAERO CC(C)c1nnc2n1C[C@@H]([NH2+]C(C1CC1)C1CC1)CC2 ZINC000180527983 275776534 /nfs/dbraw/zinc/77/65/34/275776534.db2.gz RIMXYJDCIUJWDO-ZDUSSCGKSA-N 1 0 274.412 2.495 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1CC=CCC1 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COc1ccc2c(c1)CCC[C@H]2[NH2+]CCC[S@](C)=O ZINC000127054610 279851384 /nfs/dbraw/zinc/85/13/84/279851384.db2.gz FESMXKNMVRHJJG-DNVCBOLYSA-N 1 0 281.421 2.431 10 0 CEAERO O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)C1CC[NH2+]CC1 ZINC000037042530 279886787 /nfs/dbraw/zinc/88/67/87/279886787.db2.gz BOVXUYQELVMAQF-WDEREUQCSA-N 1 0 278.318 2.223 10 0 CEAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1(CO)COC1 ZINC000305765796 279992007 /nfs/dbraw/zinc/99/20/07/279992007.db2.gz DYIDGBWLMBXAJT-RDBSUJKOSA-N 1 0 255.402 2.046 10 0 CEAERO CCS(=O)(=O)c1ccccc1N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261825506 280034680 /nfs/dbraw/zinc/03/46/80/280034680.db2.gz UFMDFFZNXWUPPJ-AWEZNQCLSA-N 1 0 296.436 2.044 10 0 CEAERO CCCC[C@H](N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C)C(=O)OC ZINC000135245660 280040188 /nfs/dbraw/zinc/04/01/88/280040188.db2.gz MPYGOUJOSWTRTQ-IHRRRGAJSA-N 1 0 270.417 2.037 10 0 CEAERO CCC[C@H](C(=O)NCCO[C@@H]1CCCC[C@@H]1C)[NH+](C)C ZINC000136126927 280058166 /nfs/dbraw/zinc/05/81/66/280058166.db2.gz BOLUEAIXIUJQCW-RRFJBIMHSA-N 1 0 284.444 2.428 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1csc2c1CCCC2 ZINC000335501377 280114168 /nfs/dbraw/zinc/11/41/68/280114168.db2.gz SDQOPEURXNPSFZ-JOYOIKCWSA-N 1 0 264.394 2.189 10 0 CEAERO C/C(=C\c1ccccc1)C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000189099348 280143343 /nfs/dbraw/zinc/14/33/43/280143343.db2.gz DXPNURBCSFENLF-CMPYXILNSA-N 1 0 258.365 2.300 10 0 CEAERO C[C@@H]([NH3+])CCNC(=O)/C=C\c1ccc(Cl)cc1 ZINC000214354406 280207997 /nfs/dbraw/zinc/20/79/97/280207997.db2.gz ACPQBORYVBYLLN-ISGFRBBESA-N 1 0 252.745 2.207 10 0 CEAERO CC(C)[C@H](C)NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000136269184 280219542 /nfs/dbraw/zinc/21/95/42/280219542.db2.gz NXKLBKGNICHNNZ-MJBXVCDLSA-N 1 0 267.417 2.157 10 0 CEAERO CCc1nc(CN2CC[C@@H](C)C[C@@H]2C[NH3+])cs1 ZINC000234161530 280220401 /nfs/dbraw/zinc/22/04/01/280220401.db2.gz BFEZUIUXABHZCV-ZYHUDNBSSA-N 1 0 253.415 2.265 10 0 CEAERO Cc1ccnc(NCC2CC(O)C2)c1Br ZINC000235931540 280221385 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QQHBVQXXMCBNLR-AAEUAGOBSA-N 1 0 267.394 2.179 10 0 CEAERO CCC1CCC([N@H+](C)C[C@@](N)(C(=O)OC)C2CC2)CC1 ZINC000069183672 519853338 /nfs/dbraw/zinc/85/33/38/519853338.db2.gz NDGHLWLJWKOFEU-PXCJXSSVSA-N 1 0 282.428 2.168 10 0 CEAERO CCCC1CC[NH+](CC[C@@](C)(NC)C(=O)OC)CC1 ZINC000050905731 519901408 /nfs/dbraw/zinc/90/14/08/519901408.db2.gz SZEIQERIMRPRLJ-OAHLLOKOSA-N 1 0 270.417 2.040 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)NCc1nc2ccccc2s1 ZINC000061298513 519905628 /nfs/dbraw/zinc/90/56/28/519905628.db2.gz ALEQOARAHXEGKP-UHFFFAOYSA-N 1 0 277.393 2.301 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N[C@@H](C)c1cccc(OC)c1 ZINC000061293473 519905602 /nfs/dbraw/zinc/90/56/02/519905602.db2.gz LGPXUQXAEAPMFJ-NSHDSACASA-N 1 0 264.369 2.261 10 0 CEAERO CC[NH2+]CC(C)(C)Oc1cc(OC)cc(OC)c1 ZINC000070144035 519912185 /nfs/dbraw/zinc/91/21/85/519912185.db2.gz IXQVMGRJSLDMIT-UHFFFAOYSA-N 1 0 253.342 2.471 10 0 CEAERO CC[NH2+]CCC(=O)Nc1c(C)nn(C(C)C)c1C ZINC000061293894 519917007 /nfs/dbraw/zinc/91/70/07/519917007.db2.gz FZKBNSFGOYVZHL-UHFFFAOYSA-N 1 0 252.362 2.019 10 0 CEAERO CC[NH2+]C[C@@H](CCOC)Cc1ccccc1OC ZINC000052980266 519946715 /nfs/dbraw/zinc/94/67/15/519946715.db2.gz XCCIZHBYQHPPST-ZDUSSCGKSA-N 1 0 251.370 2.500 10 0 CEAERO CCC[NH2+]Cc1cnn([C@H]2CCCC[C@H]2O)c1C ZINC000054600040 519964281 /nfs/dbraw/zinc/96/42/81/519964281.db2.gz QNFATJYQOASRJD-UONOGXRCSA-N 1 0 251.374 2.167 10 0 CEAERO CC[NH2+]Cc1cc(CN2CCOC[C@@H]2CC)oc1C ZINC000052481442 519990273 /nfs/dbraw/zinc/99/02/73/519990273.db2.gz ALPIGCHCTDEPCF-AWEZNQCLSA-N 1 0 266.385 2.308 10 0 CEAERO CC[NH2+]Cc1cc(Cl)ccc1O[C@@H](CC)C(N)=O ZINC000061675736 519990310 /nfs/dbraw/zinc/99/03/10/519990310.db2.gz ZKYXSIWMRBZSQQ-NSHDSACASA-N 1 0 270.760 2.092 10 0 CEAERO CC[NH2+]Cc1cccc(OCCOCCCOC)c1 ZINC000052597664 520006780 /nfs/dbraw/zinc/00/67/80/520006780.db2.gz JUWSVHZHAOJSLO-UHFFFAOYSA-N 1 0 267.369 2.228 10 0 CEAERO CCC[NH2+][C@@H](c1ccccc1)[C@H](C)S(C)(=O)=O ZINC000054930506 520017127 /nfs/dbraw/zinc/01/71/27/520017127.db2.gz ILUQKVBKOSXEIR-WCQYABFASA-N 1 0 255.383 2.160 10 0 CEAERO CCC[NH2+][C@@H](c1ccc(F)c(F)c1)[C@H]1COCCO1 ZINC000055300597 520018239 /nfs/dbraw/zinc/01/82/39/520018239.db2.gz RUQLCXVNCZJWJE-KGLIPLIRSA-N 1 0 271.307 2.421 10 0 CEAERO CCCN[C@@](C)(C[C@H](C)[N@H+](C)C[C@@H]1C[C@@H]1C)C(=O)OC ZINC000068647591 520045567 /nfs/dbraw/zinc/04/55/67/520045567.db2.gz MZSOJMGZYVHVDS-YXWQFLTLSA-N 1 0 284.444 2.284 10 0 CEAERO CCC[NH2+][C@@](COC1CCCCCC1)(C(N)=O)C1CC1 ZINC000069194441 520055036 /nfs/dbraw/zinc/05/50/36/520055036.db2.gz RAXMHGHZJCBMFR-MRXNPFEDSA-N 1 0 282.428 2.360 10 0 CEAERO CCC[NH2+][C@H](C)c1ccc(F)cc1OCCC(=O)NC ZINC000062747293 520063122 /nfs/dbraw/zinc/06/31/22/520063122.db2.gz JTESMZOYMQTJRK-LLVKDONJSA-N 1 0 282.359 2.401 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)NCc1nc2ccccc2s1 ZINC000061273631 520064822 /nfs/dbraw/zinc/06/48/22/520064822.db2.gz VQLNEFIESAZNCD-JTQLQIEISA-N 1 0 277.393 2.301 10 0 CEAERO CC[NH2+][C@@H](C)CCCn1ncc2ccccc2c1=O ZINC000045604009 520073040 /nfs/dbraw/zinc/07/30/40/520073040.db2.gz RIZLHNLFCLRHCU-LBPRGKRZSA-N 1 0 259.353 2.175 10 0 CEAERO CC[NH2+][C@@](C)(CCCSC1CCCC1)C(N)=O ZINC000062830865 520132266 /nfs/dbraw/zinc/13/22/66/520132266.db2.gz TYIPMBGKCYSDJP-ZDUSSCGKSA-N 1 0 258.431 2.296 10 0 CEAERO CC[NH2+][C@@](C)(CCCOc1c(C)cccc1C)C(N)=O ZINC000045509446 520133079 /nfs/dbraw/zinc/13/30/79/520133079.db2.gz JZJXFPNDLNDVHY-INIZCTEOSA-N 1 0 278.396 2.316 10 0 CEAERO CC[NH2+][C@@](C)(CCC[N@@H+]1CCCC(C)(C)C1)C(=O)[O-] ZINC000069517140 520133095 /nfs/dbraw/zinc/13/30/95/520133095.db2.gz YZHRKNPWKAYHLS-HNNXBMFYSA-N 1 0 270.417 2.341 10 0 CEAERO CCN[C@H](CC[N@H+](C)[C@@H]1CCCC[C@@H]1C)C(=O)OCC ZINC000062522500 520186934 /nfs/dbraw/zinc/18/69/34/520186934.db2.gz BXGLLJAYKXITCJ-RRFJBIMHSA-N 1 0 284.444 2.428 10 0 CEAERO CCO[C@@H](C[NH3+])CCN(CC)c1cccc(F)c1 ZINC000062741199 520306803 /nfs/dbraw/zinc/30/68/03/520306803.db2.gz ULFLRYIQUXTOQZ-CQSZACIVSA-N 1 0 254.349 2.406 10 0 CEAERO CCCC[N@H+](C)C[C@](NC(C)C)(C(=O)OC)C1CC1 ZINC000069088917 520418723 /nfs/dbraw/zinc/41/87/23/520418723.db2.gz XXZBBKKHKMTIIK-OAHLLOKOSA-N 1 0 270.417 2.038 10 0 CEAERO CC[NH+](CC)CCCNc1nccn(C(C)(C)C)c1=O ZINC000061762257 520623790 /nfs/dbraw/zinc/62/37/90/520623790.db2.gz GMKUJGHLOQPJDA-UHFFFAOYSA-N 1 0 280.416 2.142 10 0 CEAERO CCCCOCCCNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000157730298 520750603 /nfs/dbraw/zinc/75/06/03/520750603.db2.gz JQFLSVJNHGJYMX-LSDHHAIUSA-N 1 0 299.459 2.221 10 0 CEAERO CCOC(=O)C[C@@]1([NH+]2CCOCC2)CC[C@@H](C)C[C@@H]1C ZINC000068633912 520860944 /nfs/dbraw/zinc/86/09/44/520860944.db2.gz HNVYSZJPBMCNBC-YCPHGPKFSA-N 1 0 283.412 2.467 10 0 CEAERO CCN(CC1CC1)[C@H](C[NH3+])c1ccc(OC)cc1OC ZINC000069237591 520966901 /nfs/dbraw/zinc/96/69/01/520966901.db2.gz CXFTVQJEFLRJDK-OAHLLOKOSA-N 1 0 278.396 2.436 10 0 CEAERO CCN(CCOC)[C@@H](C[NH3+])c1ccc(F)c(C)c1 ZINC000050546373 521136854 /nfs/dbraw/zinc/13/68/54/521136854.db2.gz LFVFRJOFWDAQBT-AWEZNQCLSA-N 1 0 254.349 2.102 10 0 CEAERO CCOC(=O)[C@](C)(C[C@H](C)[N@H+](CC1CC1)C1CC1)NC ZINC000068648379 521325403 /nfs/dbraw/zinc/32/54/03/521325403.db2.gz AGQCANSDJGHWAQ-LRDDRELGSA-N 1 0 282.428 2.181 10 0 CEAERO CCOC(=O)[C@](C)(N)CCC[N@@H+]1CCCC(C)(C)C1 ZINC000069516433 521326691 /nfs/dbraw/zinc/32/66/91/521326691.db2.gz CRNMYQVVTRBUQJ-OAHLLOKOSA-N 1 0 270.417 2.169 10 0 CEAERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1O ZINC000061652198 521831145 /nfs/dbraw/zinc/83/11/45/521831145.db2.gz ADWSPULCGNXOOW-NSHDSACASA-N 1 0 282.771 2.212 10 0 CEAERO C[NH2+][C@@H](C)c1cc(Cl)ccc1OC[C@@H](O)COC ZINC000069053758 522329879 /nfs/dbraw/zinc/32/98/79/522329879.db2.gz JMWZKWAOXVFPLT-ONGXEEELSA-N 1 0 273.760 2.007 10 0 CEAERO CC[C@H]([NH3+])[C@](O)(c1cccc(F)c1)C(F)(F)F ZINC000062784513 522345368 /nfs/dbraw/zinc/34/53/68/522345368.db2.gz XVDNDHJYBYVQNT-VHSXEESVSA-N 1 0 251.223 2.313 10 0 CEAERO C[NH2+][C@@H]1CCN(c2cc(OC)ccc2OC)[C@@H](C)C1 ZINC000049707729 522395425 /nfs/dbraw/zinc/39/54/25/522395425.db2.gz IIOXINJQYVIFBP-NWDGAFQWSA-N 1 0 264.369 2.281 10 0 CEAERO CCC[NH2+][C@](C)(CO)C[C@@H](C)n1nc(CC)nc1CC ZINC000088746306 517589156 /nfs/dbraw/zinc/58/91/56/517589156.db2.gz ZGKKAXPNQCUEBK-DOMZBBRYSA-N 1 0 282.432 2.105 10 0 CEAERO CCCOc1ccc([C@H]([NH2+]C)[C@@H]2CN(CC)CCO2)cc1 ZINC000093914397 517590966 /nfs/dbraw/zinc/59/09/66/517590966.db2.gz LAIPGIMQZOONMM-IRXDYDNUSA-N 1 0 292.423 2.457 10 0 CEAERO CCN(C(C)C)S(=O)(=O)c1ccc(CCC[NH2+]C)cc1 ZINC000088942101 517630346 /nfs/dbraw/zinc/63/03/46/517630346.db2.gz WFFDJNQPQQDCIY-UHFFFAOYSA-N 1 0 298.452 2.258 10 0 CEAERO COc1cccc(S(=O)(=O)[C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000081923471 518167445 /nfs/dbraw/zinc/16/74/45/518167445.db2.gz WCQRILHSBBVXFD-ZIAGYGMSSA-N 1 0 283.393 2.129 10 0 CEAERO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)CC(C)(C)C1 ZINC000245225336 518180627 /nfs/dbraw/zinc/18/06/27/518180627.db2.gz SKZDUKMNAFAJMP-JHJVBQTASA-N 1 0 273.442 2.226 10 0 CEAERO C[C@H]1CN(c2nc3ccccn3c2C[NH3+])C[C@H](C)S1 ZINC000070384560 518184716 /nfs/dbraw/zinc/18/47/16/518184716.db2.gz LHUBMHGHCYMXAB-QWRGUYRKSA-N 1 0 276.409 2.123 10 0 CEAERO CC(=O)c1ccc(NC(=O)C[C@H]2CCC[NH2+]C2)cc1 ZINC000054308831 518364487 /nfs/dbraw/zinc/36/44/87/518364487.db2.gz NMLSHQRYJVZABF-GFCCVEGCSA-N 1 0 260.337 2.217 10 0 CEAERO CC(=O)NCC1CCN(c2cc(C)[nH+]c(C)c2)CC1 ZINC000096160089 534359160 /nfs/dbraw/zinc/35/91/60/534359160.db2.gz ZCGUAJARWHEFCJ-UHFFFAOYSA-N 1 0 261.369 2.051 10 0 CEAERO CC(C)(C)C(=O)Nc1ccc(NC(=O)[C@H]2CC[NH2+]C2)cc1 ZINC000062116307 518590544 /nfs/dbraw/zinc/59/05/44/518590544.db2.gz RUSACIBSUCZHTL-NSHDSACASA-N 1 0 289.379 2.219 10 0 CEAERO CC(C)(C)C1CCC(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000054667744 518602742 /nfs/dbraw/zinc/60/27/42/518602742.db2.gz RRXCHEFPDYROGH-WXRRBKDZSA-N 1 0 252.402 2.317 10 0 CEAERO CC(C)(C)[NH2+]CCN1C(=O)C(=O)c2c1c(F)ccc2Cl ZINC000048785408 518757491 /nfs/dbraw/zinc/75/74/91/518757491.db2.gz WXHJJMXHUUXFSA-UHFFFAOYSA-N 1 0 298.745 2.397 10 0 CEAERO CC(C)(C)[NH2+]C[C@H]1CC[C@@H](COCC2CCOCC2)O1 ZINC000052708658 518762842 /nfs/dbraw/zinc/76/28/42/518762842.db2.gz OMOSMMMWTOKPFV-CABCVRRESA-N 1 0 285.428 2.365 10 0 CEAERO CC(C)(CC(N)=O)C[C@@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000061825171 519198511 /nfs/dbraw/zinc/19/85/11/519198511.db2.gz RUJITCNGAXHQEG-GFCCVEGCSA-N 1 0 292.379 2.139 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)/C=C/c1cccc(O)c1 ZINC000183488575 519335908 /nfs/dbraw/zinc/33/59/08/519335908.db2.gz BGJHUOFSFBPXCG-XVJNWHFHSA-N 1 0 290.407 2.498 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)Nc1nccn(C(C)(C)C)c1=O ZINC000061765420 519344080 /nfs/dbraw/zinc/34/40/80/519344080.db2.gz BNAQRAIAXUEPNL-CYBMUJFWSA-N 1 0 294.443 2.387 10 0 CEAERO CC(C)C[C@H](C[NH3+])[C@H]1CS(=O)(=O)c2ccccc21 ZINC000052946892 519346243 /nfs/dbraw/zinc/34/62/43/519346243.db2.gz QQHBVQXXMCBNLR-DGCLKSJQSA-N 1 0 267.394 2.179 10 0 CEAERO CC(C)C[C@H]([NH3+])[C@@H](O)c1ccc2c(c1)CCCN2C ZINC000054929397 519370583 /nfs/dbraw/zinc/37/05/83/519370583.db2.gz NUIGHPCNFGDWEE-HOCLYGCPSA-N 1 0 262.397 2.476 10 0 CEAERO CC(C)[N@H+](C)CCCCNC(=O)c1nc(N)ccc1Cl ZINC000050708596 519617786 /nfs/dbraw/zinc/61/77/86/519617786.db2.gz IYZDUQYCUQDKET-UHFFFAOYSA-N 1 0 298.818 2.167 10 0 CEAERO CC(C)N(CC[NH3+])C(=O)c1cccc2ncccc21 ZINC000061410392 519646421 /nfs/dbraw/zinc/64/64/21/519646421.db2.gz SKKQKLXHIUVCNO-UHFFFAOYSA-N 1 0 257.337 2.044 10 0 CEAERO CC(C)[N@H+](CCO)[C@H](CC(N)=S)c1ccccc1 ZINC000055025289 519648888 /nfs/dbraw/zinc/64/88/88/519648888.db2.gz VFKBHVUOIYTFJF-CYBMUJFWSA-N 1 0 266.410 2.107 10 0 CEAERO CC(C)CCOCCn1cc(C[NH2+]C(C)C)cn1 ZINC000054719756 519669231 /nfs/dbraw/zinc/66/92/31/519669231.db2.gz YFQOGUYURSGHDF-UHFFFAOYSA-N 1 0 253.390 2.444 10 0 CEAERO CC(C)N1CC[NH+]([C@H](CC(N)=S)c2ccccc2)CC1 ZINC000055024733 519684001 /nfs/dbraw/zinc/68/40/01/519684001.db2.gz KEFGVVDNCVXIKL-OAHLLOKOSA-N 1 0 291.464 2.430 10 0 CEAERO CC(C)[N@@H+]1CC[C@@H](Nc2ccccc2N2CCOCC2)C1 ZINC000045653746 519687841 /nfs/dbraw/zinc/68/78/41/519687841.db2.gz VHUWQAQDGCFDFL-OAHLLOKOSA-N 1 0 289.423 2.418 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CC2CCCC2)C1 ZINC000155386000 519691582 /nfs/dbraw/zinc/69/15/82/519691582.db2.gz ODABDNLPDGKFSW-OCCSQVGLSA-N 1 0 252.402 2.412 10 0 CEAERO CC(C)CN(C(=O)[C@H](C[NH3+])c1ccccc1)C1CC1 ZINC000061612004 519706798 /nfs/dbraw/zinc/70/67/98/519706798.db2.gz KCFFUFPWPIFPOA-OAHLLOKOSA-N 1 0 260.381 2.376 10 0 CEAERO CC(C)[NH2+]CCCS(=O)(=O)N[C@H](C)c1ccccc1 ZINC000049631799 519720993 /nfs/dbraw/zinc/72/09/93/519720993.db2.gz PJICCRBOKOHYLP-CYBMUJFWSA-N 1 0 284.425 2.055 10 0 CEAERO CC(C)[NH2+]CCc1nnc(-c2ccc3nccnc3c2)o1 ZINC000061439532 519722775 /nfs/dbraw/zinc/72/27/75/519722775.db2.gz VMHJECUWOOTSRH-UHFFFAOYSA-N 1 0 283.335 2.220 10 0 CEAERO CC(C)[NH2+]C[C@@H](Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000052951209 519723016 /nfs/dbraw/zinc/72/30/16/519723016.db2.gz HJBKZCALYIRYST-HZPDHXFCSA-N 1 0 295.448 2.278 10 0 CEAERO CC(C)[NH2+]Cc1cc(-n2cncn2)nc2ccccc12 ZINC000051489616 519726135 /nfs/dbraw/zinc/72/61/35/519726135.db2.gz WKMMFBWKYXMEPV-UHFFFAOYSA-N 1 0 267.336 2.314 10 0 CEAERO CC(C)[NH2+]Cc1nnnn1[C@H](C)c1ccc(Cl)s1 ZINC000054747309 519730114 /nfs/dbraw/zinc/73/01/14/519730114.db2.gz WFPRPZRASVIUTR-MRVPVSSYSA-N 1 0 285.804 2.495 10 0 CEAERO CC(C)[NH2+]Cc1nnnn1[C@H](C)c1ccccc1Cl ZINC000054747806 519730276 /nfs/dbraw/zinc/73/02/76/519730276.db2.gz QAERTHVRRZXRFX-SNVBAGLBSA-N 1 0 279.775 2.434 10 0 CEAERO CC(C)[NH2+][C@@H](CCSc1ccc(F)c(F)c1)C(N)=O ZINC000062596903 519734576 /nfs/dbraw/zinc/73/45/76/519734576.db2.gz DEUDAYSJQPMJIV-LBPRGKRZSA-N 1 0 288.363 2.299 10 0 CEAERO CC(C)[NH2+][C@@](C)(C[C@H](C)Oc1cccc(F)c1)C(N)=O ZINC000068656701 519737095 /nfs/dbraw/zinc/73/70/95/519737095.db2.gz LIOPCUWXCVCMPH-NHYWBVRUSA-N 1 0 282.359 2.225 10 0 CEAERO CC(C)[NH2+][C@@](CSC1CCCC1)(C(N)=O)C1CC1 ZINC000069190588 519737719 /nfs/dbraw/zinc/73/77/19/519737719.db2.gz JLBOBUZMWDGLNC-CQSZACIVSA-N 1 0 270.442 2.294 10 0 CEAERO CC(C)[NH2+][C@H](CCSc1ccccc1)C(N)=O ZINC000062597936 519738589 /nfs/dbraw/zinc/73/85/89/519738589.db2.gz NUUPPKIHLOOCLI-GFCCVEGCSA-N 1 0 252.383 2.021 10 0 CEAERO CC(C)[NH2+][C@](C)(C[C@H](C)[NH+]1CCCCC1)C(=O)[O-] ZINC000068620388 519740258 /nfs/dbraw/zinc/74/02/58/519740258.db2.gz YIKAGFAQDAOBAO-GXTWGEPZSA-N 1 0 256.390 2.092 10 0 CEAERO CC(C)C[NH2+]CC1(Cc2cnn(C)c2)CCOCC1 ZINC000061674563 519743212 /nfs/dbraw/zinc/74/32/12/519743212.db2.gz XWOYYVDBTWSORO-UHFFFAOYSA-N 1 0 265.401 2.005 10 0 CEAERO CC(C)C[NH2+]CCCCn1ncc(=O)c2ccccc21 ZINC000053532818 519743416 /nfs/dbraw/zinc/74/34/16/519743416.db2.gz OJBYWJMVCKLLSR-UHFFFAOYSA-N 1 0 273.380 2.422 10 0 CEAERO CC(C)C[NH2+]Cc1ccccc1O[C@H]1CCCCNC1=O ZINC000062729365 519748089 /nfs/dbraw/zinc/74/80/89/519748089.db2.gz OIAJWIHPTZLIBO-INIZCTEOSA-N 1 0 290.407 2.480 10 0 CEAERO CC(C)C[NH2+]Cc1ccoc1CN1CCN(C2CC2)CC1 ZINC000052371297 519748168 /nfs/dbraw/zinc/74/81/68/519748168.db2.gz WCUAXXRGUGZADI-UHFFFAOYSA-N 1 0 291.439 2.305 10 0 CEAERO CC(C)C[NH2+][C@]1(C(N)=O)CCCc2sccc21 ZINC000061329871 519749734 /nfs/dbraw/zinc/74/97/34/519749734.db2.gz IRVKIJTZDLHGAC-CYBMUJFWSA-N 1 0 252.383 2.011 10 0 CEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cnc(N)c(Cl)c1 ZINC000050707875 519775806 /nfs/dbraw/zinc/77/58/06/519775806.db2.gz JAOBQHNCTGDUMT-NSHDSACASA-N 1 0 298.818 2.023 10 0 CEAERO CC(C)Oc1cccc(C(=O)N(C)[C@H](C)CC[NH3+])c1 ZINC000063085920 519782156 /nfs/dbraw/zinc/78/21/56/519782156.db2.gz BYRJIHXYGOVKGE-GFCCVEGCSA-N 1 0 264.369 2.283 10 0 CEAERO CC(C)[C@@H](CN(C)C)[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000049197325 519793830 /nfs/dbraw/zinc/79/38/30/519793830.db2.gz FWAWHNWYXOMZRY-MRXNPFEDSA-N 1 0 287.407 2.204 10 0 CEAERO CC(C)[C@H](C[NH+](C)C)N1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054601167 519814058 /nfs/dbraw/zinc/81/40/58/519814058.db2.gz FBRHDKXILJQAMG-GUTXKFCHSA-N 1 0 252.402 2.159 10 0 CEAERO CC(C)[C@H](CN(C)C)[NH2+][C@@H](C)c1ccc(NC(N)=O)cc1 ZINC000049198872 519814698 /nfs/dbraw/zinc/81/46/98/519814698.db2.gz KADVCXIIFYEIHF-WFASDCNBSA-N 1 0 292.427 2.414 10 0 CEAERO CC(C)[C@H](CNC(=O)c1cccc(Cl)n1)[NH+](C)C ZINC000051074053 519815747 /nfs/dbraw/zinc/81/57/47/519815747.db2.gz SWLILQONEKNTDV-NSHDSACASA-N 1 0 269.776 2.051 10 0 CEAERO CC(C)[C@H]([NH2+]C[C@@H](O)Cn1cccn1)c1cccs1 ZINC000049556096 519820821 /nfs/dbraw/zinc/82/08/21/519820821.db2.gz UEPVJTAJKUHPTR-OCCSQVGLSA-N 1 0 279.409 2.292 10 0 CEAERO CC(C)[C@H]1CCC(=O)[C@H](C[NH+]2CCN(C3CC3)CC2)C1 ZINC000054559352 519824476 /nfs/dbraw/zinc/82/44/76/519824476.db2.gz WSMLZYAWUFDTFZ-GJZGRUSLSA-N 1 0 278.440 2.408 10 0 CEAERO CCC[NH+]1CCC(NC(=O)c2cc(N)c(C)c(F)c2)CC1 ZINC000049550912 519846089 /nfs/dbraw/zinc/84/60/89/519846089.db2.gz GDQPLJCGHTUEBU-UHFFFAOYSA-N 1 0 293.386 2.321 10 0 CEAERO CCC1CCN(Cc2csc(C[NH2+]C)n2)CC1 ZINC000052346875 519859788 /nfs/dbraw/zinc/85/97/88/519859788.db2.gz ZEQXOSLLSNQLOB-UHFFFAOYSA-N 1 0 253.415 2.485 10 0 CEAERO CC(C)c1[nH+]c2cc(N)ccc2n1CCC(=O)N(C)C ZINC000052854331 519869377 /nfs/dbraw/zinc/86/93/77/519869377.db2.gz WUMCKCRXQJTRBB-UHFFFAOYSA-N 1 0 274.368 2.220 10 0 CEAERO CCCNC(=O)COc1cc(F)ccc1[C@@H](C)[NH2+]C ZINC000062746614 519881335 /nfs/dbraw/zinc/88/13/35/519881335.db2.gz AZVSLOFAVSUXFU-SNVBAGLBSA-N 1 0 268.332 2.011 10 0 CEAERO CCCC1(C(=O)N2C[C@@H]3CC[C@H]2C3)CC[NH2+]CC1 ZINC000062849997 519887670 /nfs/dbraw/zinc/88/76/70/519887670.db2.gz GOZTVWAMCGWSMZ-OLZOCXBDSA-N 1 0 250.386 2.167 10 0 CEAERO CC(C)C1N=NC(=S)N1[C@@H]1CC[N@@H+]2CCC[C@H]12 ZINC000049569324 519890788 /nfs/dbraw/zinc/89/07/88/519890788.db2.gz WUPZOGLLIAFNQC-NXEZZACHSA-N 1 0 252.387 2.099 10 0 CEAERO CCCC1CC[NH+](C[C@](NCC)(C(=O)OC)C2CC2)CC1 ZINC000069231654 519902389 /nfs/dbraw/zinc/90/23/89/519902389.db2.gz DPYHAHNTLAASSZ-QGZVFWFLSA-N 1 0 296.455 2.430 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N(C)Cc1ccccc1F ZINC000061289452 519903411 /nfs/dbraw/zinc/90/34/11/519903411.db2.gz LAQYFXRUTHLMMF-UHFFFAOYSA-N 1 0 252.333 2.172 10 0 CEAERO CCCNC(=O)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CC ZINC000061269179 519905372 /nfs/dbraw/zinc/90/53/72/519905372.db2.gz VLJPRYMGKNUUKJ-GFCCVEGCSA-N 1 0 291.395 2.153 10 0 CEAERO CCC[NH2+]C1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000061674882 519906967 /nfs/dbraw/zinc/90/69/67/519906967.db2.gz LSJOSBYCFNXSKZ-UHFFFAOYSA-N 1 0 276.380 2.379 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1cccc(C(=O)OC)c1C ZINC000061291818 519907550 /nfs/dbraw/zinc/90/75/50/519907550.db2.gz XLEJWADALPTBSS-UHFFFAOYSA-N 1 0 278.352 2.108 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1ccccc1COC ZINC000061290646 519908270 /nfs/dbraw/zinc/90/82/70/519908270.db2.gz MMHCPEUDGNCYSM-UHFFFAOYSA-N 1 0 250.342 2.160 10 0 CEAERO CCC[NH2+]CCCCn1cnc2ccsc2c1=O ZINC000053529362 519912305 /nfs/dbraw/zinc/91/23/05/519912305.db2.gz UNYHFAANYFONJO-UHFFFAOYSA-N 1 0 265.382 2.238 10 0 CEAERO CC[NH2+]CCC(=O)N(C)[C@@H](C)c1cc(F)ccc1F ZINC000061294965 519915160 /nfs/dbraw/zinc/91/51/60/519915160.db2.gz DIYUJAIZRMNIJK-JTQLQIEISA-N 1 0 270.323 2.484 10 0 CEAERO CC[NH2+]CCC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000061294545 519916253 /nfs/dbraw/zinc/91/62/53/519916253.db2.gz GXQXQKJNIWDCCV-UHFFFAOYSA-N 1 0 271.364 2.052 10 0 CEAERO CC[NH2+]CCC(=O)Nc1ccc(OC(F)F)cc1 ZINC000061288633 519918095 /nfs/dbraw/zinc/91/80/95/519918095.db2.gz PFHRBSMYEUYXFX-UHFFFAOYSA-N 1 0 258.268 2.226 10 0 CEAERO CCC[NH2+]CCOCc1ccn(-c2ccccc2)n1 ZINC000061641230 519918437 /nfs/dbraw/zinc/91/84/37/519918437.db2.gz JXPUFJPMJLGMIH-UHFFFAOYSA-N 1 0 259.353 2.389 10 0 CEAERO CC[NH2+]CCC(=O)Nc1ccccc1C(=O)NCC(C)C ZINC000061287970 519918547 /nfs/dbraw/zinc/91/85/47/519918547.db2.gz RRPFJANCRAUEDN-UHFFFAOYSA-N 1 0 291.395 2.011 10 0 CEAERO CC[NH2+]CCCCCn1nnc(-c2ccccc2)n1 ZINC000052574679 519919187 /nfs/dbraw/zinc/91/91/87/519919187.db2.gz YEDYOCRHNVOQKZ-UHFFFAOYSA-N 1 0 259.357 2.120 10 0 CEAERO CCC[NH2+]CCc1c(C)nc(C[C@@H]2CCCO2)nc1C ZINC000054853755 519919565 /nfs/dbraw/zinc/91/95/65/519919565.db2.gz CCDTVABQFRVVHL-AWEZNQCLSA-N 1 0 277.412 2.357 10 0 CEAERO CCC[NH2+]C[C@@H](CCS(C)(=O)=O)Cc1ccccc1 ZINC000052952857 519921072 /nfs/dbraw/zinc/92/10/72/519921072.db2.gz JXWRLMCXJTWZTQ-HNNXBMFYSA-N 1 0 283.437 2.280 10 0 CEAERO CC[NH2+]CCc1nnc(-c2ccc(Br)o2)o1 ZINC000050619872 519929277 /nfs/dbraw/zinc/92/92/77/519929277.db2.gz CBCSOTLLKDENDH-UHFFFAOYSA-N 1 0 286.129 2.244 10 0 CEAERO CCC[NH2+]C[C@H]1CC[C@@H](Cn2ccc(C(F)(F)F)n2)O1 ZINC000052592656 519938481 /nfs/dbraw/zinc/93/84/81/519938481.db2.gz HXCRLDMVSKZXKR-MNOVXSKESA-N 1 0 291.317 2.449 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000061231661 519940751 /nfs/dbraw/zinc/94/07/51/519940751.db2.gz GXVRRGZSDWYNSV-CYBMUJFWSA-N 1 0 290.411 2.256 10 0 CEAERO CCC[NH2+]Cc1c(C)nn(C[C@@H]2CCOC2)c1C ZINC000054717416 519941913 /nfs/dbraw/zinc/94/19/13/519941913.db2.gz WNLQCWGEEKJFDZ-ZDUSSCGKSA-N 1 0 251.374 2.036 10 0 CEAERO CCC[NH2+]Cc1c(C)nn(-c2cc(C)ncn2)c1C ZINC000049960730 519942901 /nfs/dbraw/zinc/94/29/01/519942901.db2.gz KNLMACKIHCYVSE-UHFFFAOYSA-N 1 0 259.357 2.087 10 0 CEAERO CC[NH2+]C[C@@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000061220274 519944085 /nfs/dbraw/zinc/94/40/85/519944085.db2.gz STVCDQSCZQTFIU-SNVBAGLBSA-N 1 0 261.325 2.458 10 0 CEAERO CC[NH2+]C[C@@H](CC)Oc1c(OC)cccc1OC ZINC000052650115 519945164 /nfs/dbraw/zinc/94/51/64/519945164.db2.gz SIDIAABTHXVMNN-LLVKDONJSA-N 1 0 253.342 2.471 10 0 CEAERO CCC[NH2+]Cc1ccc(CN2CCOC[C@H]2C)cc1 ZINC000052476044 519948551 /nfs/dbraw/zinc/94/85/51/519948551.db2.gz RPAXHMKQTOBGIV-CQSZACIVSA-N 1 0 262.397 2.407 10 0 CEAERO CC[NH2+]C[C@@H](c1ccccc1)N1CCOC(C)(C)C1 ZINC000052481919 519949741 /nfs/dbraw/zinc/94/97/41/519949741.db2.gz XPVBAONGCJVLRA-HNNXBMFYSA-N 1 0 262.397 2.448 10 0 CEAERO CCC[NH2+]Cc1ccc(O[C@@H](CC)C(N)=O)c(Cl)c1 ZINC000061676018 519951875 /nfs/dbraw/zinc/95/18/75/519951875.db2.gz DISCMMAPAWPXSL-LBPRGKRZSA-N 1 0 284.787 2.482 10 0 CEAERO CCC[NH2+]Cc1cccc(OC)c1OCCCC(=O)NC ZINC000068816423 519954775 /nfs/dbraw/zinc/95/47/75/519954775.db2.gz ZRTIDVAUWASFAA-UHFFFAOYSA-N 1 0 294.395 2.100 10 0 CEAERO CC[NH2+]C[C@@H]1CC[C@H](Cn2cnc3ccccc32)O1 ZINC000052576429 519955612 /nfs/dbraw/zinc/95/56/12/519955612.db2.gz TWPHUACGOCSSHF-QWHCGFSZSA-N 1 0 259.353 2.193 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000061266877 519963264 /nfs/dbraw/zinc/96/32/64/519963264.db2.gz NTCHPBAZQZYINU-RYUDHWBXSA-N 1 0 294.395 2.127 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N[C@H](C)c1sc(C)nc1C ZINC000061266920 519965202 /nfs/dbraw/zinc/96/52/02/519965202.db2.gz ONGUQKLRTVZMIY-WCBMZHEXSA-N 1 0 269.414 2.183 10 0 CEAERO CCOCC[NH2+]CCN(C)c1ccc(CC)cc1 ZINC000053433893 519965737 /nfs/dbraw/zinc/96/57/37/519965737.db2.gz PPYCKRHBTJXCSU-UHFFFAOYSA-N 1 0 250.386 2.311 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1cc(NC(C)=O)ccc1C ZINC000061230611 519966024 /nfs/dbraw/zinc/96/60/24/519966024.db2.gz QZPKCJQCXGZDEN-NSHDSACASA-N 1 0 277.368 2.138 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccc(NC(=O)OCC)cc1 ZINC000061232187 519967700 /nfs/dbraw/zinc/96/77/00/519967700.db2.gz CKFWTCXKWWQWHD-NSHDSACASA-N 1 0 293.367 2.439 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccc(OC)c(F)c1 ZINC000061229322 519967727 /nfs/dbraw/zinc/96/77/27/519967727.db2.gz WGWMFKVJFBQYSY-VIFPVBQESA-N 1 0 254.305 2.018 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1cccc2cnccc21 ZINC000061231184 519968109 /nfs/dbraw/zinc/96/81/09/519968109.db2.gz FTIZMYFWIAJRDI-NSHDSACASA-N 1 0 257.337 2.419 10 0 CEAERO CC[NH2+]C[C@H](C)n1nc(C)c(Br)c1C ZINC000052573738 519971322 /nfs/dbraw/zinc/97/13/22/519971322.db2.gz XMSCOGNCYRDDFR-ZETCQYMHSA-N 1 0 260.179 2.433 10 0 CEAERO CC[NH2+]C[C@H](C)c1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000061220386 519971604 /nfs/dbraw/zinc/97/16/04/519971604.db2.gz KOUGCNXDJIYYET-JTQLQIEISA-N 1 0 291.351 2.467 10 0 CEAERO CC[NH2+]C[C@H](O)COc1ccc(Br)cc1C ZINC000063061877 519972455 /nfs/dbraw/zinc/97/24/55/519972455.db2.gz PIBOWLKJUFBFDR-NSHDSACASA-N 1 0 288.185 2.107 10 0 CEAERO CC[NH2+]C[C@H]1CC[C@H](CN(C)c2cccc(OC)c2)O1 ZINC000052516794 519980448 /nfs/dbraw/zinc/98/04/48/519980448.db2.gz LHMQBHQZRZFPGR-HZPDHXFCSA-N 1 0 278.396 2.289 10 0 CEAERO CC[NH2+]C[C@H]1OCCN(C)[C@@H]1c1sccc1C ZINC000070285395 519981848 /nfs/dbraw/zinc/98/18/48/519981848.db2.gz VYOXETDANOJNFZ-NEPJUHHUSA-N 1 0 254.399 2.038 10 0 CEAERO CC[NH2+]Cc1c(C)nn(C)c1-n1ccc(C(C)C)n1 ZINC000052884884 519983423 /nfs/dbraw/zinc/98/34/23/519983423.db2.gz JKWOOLTXJAXMRR-UHFFFAOYSA-N 1 0 261.373 2.147 10 0 CEAERO CC[NH2+]Cc1cc(C)c(OCCC(=O)OC)c(C)c1 ZINC000069316863 519985143 /nfs/dbraw/zinc/98/51/43/519985143.db2.gz RIVFBOMLKFCKQK-UHFFFAOYSA-N 1 0 265.353 2.355 10 0 CEAERO CCCN[C@@H](CC[N@H+](C)C1CCC(C)CC1)C(=O)OC ZINC000062525184 519992713 /nfs/dbraw/zinc/99/27/13/519992713.db2.gz AZLFYQMVRDIXIB-NRXISQOPSA-N 1 0 284.444 2.428 10 0 CEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N(C)CCC(C)C)cc1 ZINC000048923697 520001166 /nfs/dbraw/zinc/00/11/66/520001166.db2.gz GRXMAFMPHLNXRP-UHFFFAOYSA-N 1 0 298.452 2.463 10 0 CEAERO CC(C)n1cccc1C(=O)N1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000051358281 520013430 /nfs/dbraw/zinc/01/34/30/520013430.db2.gz OMEBYHWUDKJKPE-KGLIPLIRSA-N 1 0 275.396 2.426 10 0 CEAERO CC(C)n1cccc1C(=O)N[C@H]1CCCCC[C@@H]1[NH3+] ZINC000063210906 520017054 /nfs/dbraw/zinc/01/70/54/520017054.db2.gz FKCXHGROPVIVQB-STQMWFEESA-N 1 0 263.385 2.459 10 0 CEAERO CCC[NH2+][C@@H](c1ccc(OC)c(OC)c1)[C@@H]1COCCO1 ZINC000055300392 520018415 /nfs/dbraw/zinc/01/84/15/520018415.db2.gz XYMNCLFEAHWCPY-HOTGVXAUSA-N 1 0 295.379 2.160 10 0 CEAERO CCC[NH2+][C@@H]1CCN(Cc2ccc(F)cc2F)C1=O ZINC000051017514 520022685 /nfs/dbraw/zinc/02/26/85/520022685.db2.gz DGIJWGHTUWPHPC-CYBMUJFWSA-N 1 0 268.307 2.065 10 0 CEAERO CC[NH2+]Cc1nnc(-c2ccc3ncccc3c2)o1 ZINC000061439308 520024544 /nfs/dbraw/zinc/02/45/44/520024544.db2.gz BCSRBXLBPQWDJO-UHFFFAOYSA-N 1 0 254.293 2.394 10 0 CEAERO CC[NH2+]Cc1nnc(-c2cccc(OC(F)F)c2)o1 ZINC000050615566 520025283 /nfs/dbraw/zinc/02/52/83/520025283.db2.gz PKGNKWZCWGLUSA-UHFFFAOYSA-N 1 0 269.251 2.448 10 0 CEAERO CCC[NH2+][C@@H]1COc2cc(OC[C@@H](O)CC)ccc21 ZINC000062805119 520026437 /nfs/dbraw/zinc/02/64/37/520026437.db2.gz VHZOSWDHGJIHCZ-SMDDNHRTSA-N 1 0 265.353 2.269 10 0 CEAERO CC[NH2+]Cc1nnnn1[C@H](c1cccs1)C(C)C ZINC000054747578 520028470 /nfs/dbraw/zinc/02/84/70/520028470.db2.gz JDPLQKIGQDWTPL-LBPRGKRZSA-N 1 0 265.386 2.090 10 0 CEAERO CC[NH2+]Cc1sc(N2CCO[C@H](C)C2)nc1CC ZINC000054995741 520035315 /nfs/dbraw/zinc/03/53/15/520035315.db2.gz DWOGLRKQSNOYPO-SNVBAGLBSA-N 1 0 269.414 2.040 10 0 CEAERO CCCN[C@@](C[NH+]1CCCCC1)(C(=O)OCC)C1CC1 ZINC000069095483 520051801 /nfs/dbraw/zinc/05/18/01/520051801.db2.gz OPNAQAVKFZDEAS-MRXNPFEDSA-N 1 0 282.428 2.184 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N(CC(F)(F)F)C(C)C ZINC000061272314 520060379 /nfs/dbraw/zinc/06/03/79/520060379.db2.gz YMNYEAPMBJEBCT-VIFPVBQESA-N 1 0 254.296 2.174 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000061270868 520065075 /nfs/dbraw/zinc/06/50/75/520065075.db2.gz HFGWZLBCBOQVQG-RYUDHWBXSA-N 1 0 292.379 2.023 10 0 CEAERO CCOCC[C@@]1(C[NH2+]CCOC)C[C@H]2CC[C@@H]1C2 ZINC000054639306 520066329 /nfs/dbraw/zinc/06/63/29/520066329.db2.gz JYWATCXDOMMQTA-ZNMIVQPWSA-N 1 0 255.402 2.455 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1cc(-c2nnco2)ccc1C ZINC000061270707 520067496 /nfs/dbraw/zinc/06/74/96/520067496.db2.gz PUQKJYJEJCVVMD-NSHDSACASA-N 1 0 288.351 2.372 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1ccc(-c2cc(=O)[nH][nH]2)cc1 ZINC000061270743 520067859 /nfs/dbraw/zinc/06/78/59/520067859.db2.gz HSPCULJGGWLUEI-JTQLQIEISA-N 1 0 288.351 2.109 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1cc(F)cc(F)c1F ZINC000061274867 520068579 /nfs/dbraw/zinc/06/85/79/520068579.db2.gz LSGCUKVMSMRWNH-ZETCQYMHSA-N 1 0 260.259 2.431 10 0 CEAERO CC[NH2+][C@@H](C)CCCCN1C(=O)CC(C)(C)CC1=O ZINC000061828147 520071222 /nfs/dbraw/zinc/07/12/22/520071222.db2.gz CHFHMVWDVHIXPH-LBPRGKRZSA-N 1 0 268.401 2.330 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(NC(=O)c2cn[nH]c2)cc1 ZINC000062775422 520075955 /nfs/dbraw/zinc/07/59/55/520075955.db2.gz CSZJOFRBXDCCML-JTQLQIEISA-N 1 0 258.325 2.333 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(F)cc1O[C@@H](CC)C(N)=O ZINC000062746898 520076956 /nfs/dbraw/zinc/07/69/56/520076956.db2.gz LCYXNNUXXJMGDT-CABZTGNLSA-N 1 0 268.332 2.139 10 0 CEAERO CCC[NH2+][C@H](CCOc1ccc(C(C)C)cc1)C(N)=O ZINC000062547868 520078329 /nfs/dbraw/zinc/07/83/29/520078329.db2.gz SHTRHQXZDPZLES-OAHLLOKOSA-N 1 0 278.396 2.432 10 0 CEAERO CCC[NH2+][C@H](CCO[C@H]1CCCc2ccccc21)C(N)=O ZINC000062544462 520079198 /nfs/dbraw/zinc/07/91/98/520079198.db2.gz IAJCSFVKZOORKX-CVEARBPZSA-N 1 0 290.407 2.324 10 0 CEAERO CC[NH2+][C@@H](CC)[C@H](C)S(=O)(=O)c1ccccc1 ZINC000061702872 520081832 /nfs/dbraw/zinc/08/18/32/520081832.db2.gz AOOCPHTWYARREL-AAEUAGOBSA-N 1 0 255.383 2.237 10 0 CEAERO CC[NH2+][C@@H](CCSc1ccc2c(c1)CCC2)C(N)=O ZINC000062600463 520094152 /nfs/dbraw/zinc/09/41/52/520094152.db2.gz PMFWVLQTFFBKIB-AWEZNQCLSA-N 1 0 278.421 2.121 10 0 CEAERO CC[NH2+][C@@H](CCOc1ccccc1C(C)(C)C)C(N)=O ZINC000062547517 520095111 /nfs/dbraw/zinc/09/51/11/520095111.db2.gz CYCIUPDGQGTZNS-ZDUSSCGKSA-N 1 0 278.396 2.216 10 0 CEAERO CCOC[C@@H](O)C[NH2+]C[C@@H](c1ccccc1)N(CC)CC ZINC000069277057 520101754 /nfs/dbraw/zinc/10/17/54/520101754.db2.gz WVTZLERYNXYKML-IRXDYDNUSA-N 1 0 294.439 2.057 10 0 CEAERO CCOC[C@@H](O)COc1ccc(C)cc1[C@@H](C)[NH2+]C ZINC000069275525 520105184 /nfs/dbraw/zinc/10/51/84/520105184.db2.gz FULICNAXKWIIHK-CHWSQXEVSA-N 1 0 267.369 2.052 10 0 CEAERO CC[NH2+][C@@H](c1ccc(CC)s1)[C@@H]1COCCO1 ZINC000055299853 520110259 /nfs/dbraw/zinc/11/02/59/520110259.db2.gz UWYANTSKBGAFJP-WCQYABFASA-N 1 0 255.383 2.377 10 0 CEAERO CC[NH2+][C@@H](c1ccc2c(c1)CCC(=O)N2C)[C@@H]1CCCO1 ZINC000062806657 520111834 /nfs/dbraw/zinc/11/18/34/520111834.db2.gz CQBWMBNTXCDTIS-RDJZCZTQSA-N 1 0 288.391 2.425 10 0 CEAERO CCCCCC[C@@H](C)[NH2+][C@H](C)C(=O)NCCCOC ZINC000049202756 520117524 /nfs/dbraw/zinc/11/75/24/520117524.db2.gz XRLOLMWCXVZARD-ZIAGYGMSSA-N 1 0 272.433 2.476 10 0 CEAERO CC[NH2+][C@@H]1CCCc2cc(OC[C@@H](O)COC)ccc21 ZINC000069053742 520118900 /nfs/dbraw/zinc/11/89/00/520118900.db2.gz CPTUMLYRPPTYIP-XJKSGUPXSA-N 1 0 279.380 2.060 10 0 CEAERO CCCN[C@](C[N@H+](CC)CCC)(C(=O)OCC)C1CC1 ZINC000069098042 520119507 /nfs/dbraw/zinc/11/95/07/520119507.db2.gz COOMGSNOQBKWKY-INIZCTEOSA-N 1 0 284.444 2.430 10 0 CEAERO CC[NH2+][C@@H]1CCO[C@](C)(c2ccc(S(C)(=O)=O)cc2)C1 ZINC000070342036 520120997 /nfs/dbraw/zinc/12/09/97/520120997.db2.gz IJCFVDRUUSWMIO-HIFRSBDPSA-N 1 0 297.420 2.094 10 0 CEAERO CC[NH2+][C@@H]1COc2cc(OCCn3cccn3)ccc21 ZINC000062804593 520123767 /nfs/dbraw/zinc/12/37/67/520123767.db2.gz JGAHJXMHWZRZOQ-CQSZACIVSA-N 1 0 273.336 2.005 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2CCC[C@H]1S(C)(=O)=O ZINC000054930336 520126986 /nfs/dbraw/zinc/12/69/86/520126986.db2.gz QLMIXNYIYVIREE-ZIAGYGMSSA-N 1 0 267.394 2.087 10 0 CEAERO CCN[C@@](C[N@@H+]1CCCC[C@@H]1C)(C(=O)OCC)C1CC1 ZINC000069093856 520153991 /nfs/dbraw/zinc/15/39/91/520153991.db2.gz SBFOHRNJTQOFSV-XJKSGUPXSA-N 1 0 282.428 2.182 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N(CC(C)C)CC(F)(F)F ZINC000061272308 520163676 /nfs/dbraw/zinc/16/36/76/520163676.db2.gz JJQDJLHOEAYBJD-SNVBAGLBSA-N 1 0 268.323 2.421 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)cc1C(=O)OC ZINC000061270314 520169379 /nfs/dbraw/zinc/16/93/79/520169379.db2.gz AKXXCXQEWNLSKH-SECBINFHSA-N 1 0 298.770 2.453 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1OCCOC ZINC000061271589 520169539 /nfs/dbraw/zinc/16/95/39/520169539.db2.gz QKNXYKPKUUUIAZ-CYBMUJFWSA-N 1 0 294.395 2.347 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1cccc(C(=O)OC)c1C ZINC000061270789 520170490 /nfs/dbraw/zinc/17/04/90/520170490.db2.gz PEBAPDJUGPGBFV-SNVBAGLBSA-N 1 0 278.352 2.108 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1ccc(OCC)c(OC)c1 ZINC000061270834 520170978 /nfs/dbraw/zinc/17/09/78/520170978.db2.gz NXEGJVAGENIQKZ-LLVKDONJSA-N 1 0 280.368 2.421 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1nc2c(s1)CCCC2 ZINC000061274217 520171616 /nfs/dbraw/zinc/17/16/16/520171616.db2.gz BZUOSKKLXQJOIA-SECBINFHSA-N 1 0 267.398 2.349 10 0 CEAERO CCCNc1cccc(C(=O)NCCC[NH+](CC)CC)n1 ZINC000051069702 520174147 /nfs/dbraw/zinc/17/41/47/520174147.db2.gz KQKNZCPEQHMQQF-UHFFFAOYSA-N 1 0 292.427 2.365 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(F)cc1OCCC(=O)N(C)C ZINC000062746689 520177925 /nfs/dbraw/zinc/17/79/25/520177925.db2.gz YXISKRUGMGDUOO-LLVKDONJSA-N 1 0 282.359 2.353 10 0 CEAERO CC[NH2+][C@H](C)c1cccc(NC(=O)N[C@@H](C)C(=O)OC)c1 ZINC000049365377 520179579 /nfs/dbraw/zinc/17/95/79/520179579.db2.gz QSUYNELFAOXXDS-MNOVXSKESA-N 1 0 293.367 2.040 10 0 CEAERO CC[NH2+][C@H](C)c1cnc(N2CCOC[C@@H]2CC)s1 ZINC000054904719 520181266 /nfs/dbraw/zinc/18/12/66/520181266.db2.gz YVJCTKOYMMFQQV-MNOVXSKESA-N 1 0 269.414 2.429 10 0 CEAERO CCCNc1ccnc(C(=O)N[C@@H](C)C[NH+](CC)CC)c1 ZINC000050780547 520184371 /nfs/dbraw/zinc/18/43/71/520184371.db2.gz UJOLFYOWOHHNBB-ZDUSSCGKSA-N 1 0 292.427 2.364 10 0 CEAERO CCCNc1ncc(C(=O)NC[C@@H](C)[NH+](C)C)cc1Cl ZINC000050780022 520189400 /nfs/dbraw/zinc/18/94/00/520189400.db2.gz LELJSFABYQCJIP-SNVBAGLBSA-N 1 0 298.818 2.237 10 0 CEAERO CC[NH2+][C@H](CCSc1ccccc1Cl)C(N)=O ZINC000062598709 520194789 /nfs/dbraw/zinc/19/47/89/520194789.db2.gz AUBPWXOHYXYABY-SNVBAGLBSA-N 1 0 272.801 2.286 10 0 CEAERO CC[NH2+][C@H](Cn1ncccc1=O)c1cc2ccccc2o1 ZINC000061402149 520205306 /nfs/dbraw/zinc/20/53/06/520205306.db2.gz CLNXQHVETXYDQC-CYBMUJFWSA-N 1 0 283.331 2.340 10 0 CEAERO CC[NH2+][C@H](c1cc(C)ccc1OC)C(C)(C)S(C)(=O)=O ZINC000070129126 520206505 /nfs/dbraw/zinc/20/65/05/520206505.db2.gz UDVZUPXDGZOBNR-CQSZACIVSA-N 1 0 299.436 2.477 10 0 CEAERO CC[NH2+][C@H]1CCC2(C[C@H]1N1CCC(C)(C)CC1)OCCO2 ZINC000061819715 520214520 /nfs/dbraw/zinc/21/45/20/520214520.db2.gz ZNRMDMFAERTPGD-LSDHHAIUSA-N 1 0 296.455 2.382 10 0 CEAERO CC[NH2+][C@H]1CCc2c1cccc2OCc1nnc(C)n1C ZINC000062799747 520219228 /nfs/dbraw/zinc/21/92/28/520219228.db2.gz VIXSHXSDSOAELS-AWEZNQCLSA-N 1 0 286.379 2.299 10 0 CEAERO CCN[C@](C)(C[N@@H+]1CCCC(C)(C)C1)C(=O)OCC ZINC000069516635 520231699 /nfs/dbraw/zinc/23/16/99/520231699.db2.gz PSEIORANSMDSAH-OAHLLOKOSA-N 1 0 270.417 2.040 10 0 CEAERO CCCOCc1nc(C)c(CCC[NH2+]C)c(C)n1 ZINC000054837487 520261350 /nfs/dbraw/zinc/26/13/50/520261350.db2.gz AORWGKGLJIJIPZ-UHFFFAOYSA-N 1 0 251.374 2.172 10 0 CEAERO CCCO[C@@H]1CCCN(c2ncc(C[NH2+]C)s2)C1 ZINC000054909523 520277861 /nfs/dbraw/zinc/27/78/61/520277861.db2.gz HJJMTJRGGQUFQP-LLVKDONJSA-N 1 0 269.414 2.258 10 0 CEAERO CCCCC[C@@H](C[NH2+]CC)[C@@H]1CCS(=O)(=O)C1 ZINC000052950331 520291836 /nfs/dbraw/zinc/29/18/36/520291836.db2.gz DYXHKRDOVMTUCV-QWHCGFSZSA-N 1 0 261.431 2.227 10 0 CEAERO CCN(C1CCCCC1)S(=O)(=O)C[C@@H]1CCCC[NH2+]1 ZINC000049630808 520294956 /nfs/dbraw/zinc/29/49/56/520294956.db2.gz AWZSCORYNPCQGW-ZDUSSCGKSA-N 1 0 288.457 2.113 10 0 CEAERO CCNc1ccc(Cl)c(C(=O)NCC(C)(C)[NH+](C)C)n1 ZINC000050790650 520306135 /nfs/dbraw/zinc/30/61/35/520306135.db2.gz AFOOCTFIZARQQE-UHFFFAOYSA-N 1 0 298.818 2.237 10 0 CEAERO CCO[C@@H](C[NH3+])CCN(CC)c1ccccc1F ZINC000062741235 520308031 /nfs/dbraw/zinc/30/80/31/520308031.db2.gz MLAFWLMXQDZUTQ-GFCCVEGCSA-N 1 0 254.349 2.406 10 0 CEAERO CCO[C@@H]1CCCN(c2nc(CC)c(C[NH2+]C)s2)C1 ZINC000055002368 520322368 /nfs/dbraw/zinc/32/23/68/520322368.db2.gz PMRUNKUAHVKAJR-LLVKDONJSA-N 1 0 283.441 2.430 10 0 CEAERO CCNc1ccccc1C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000050777722 520338970 /nfs/dbraw/zinc/33/89/70/520338970.db2.gz KNQPVJHRXUHQRS-CYBMUJFWSA-N 1 0 275.396 2.333 10 0 CEAERO CCCOc1ccc(C[NH3+])c(OC[C@H](O)C(F)(F)F)c1 ZINC000068876656 520343740 /nfs/dbraw/zinc/34/37/40/520343740.db2.gz OXNJORUGSALOCA-LBPRGKRZSA-N 1 0 293.285 2.236 10 0 CEAERO CCCOc1ccc(C[C@H](C)[NH3+])c(O[C@@H](CC)C(N)=O)c1 ZINC000061678313 520377735 /nfs/dbraw/zinc/37/77/35/520377735.db2.gz IOYWWEDPUYNQMM-FZMZJTMJSA-N 1 0 294.395 2.008 10 0 CEAERO CC[N@H+](CC(C)C)C[C@@](NC(C)C)(C(=O)OC)C1CC1 ZINC000069096832 520413508 /nfs/dbraw/zinc/41/35/08/520413508.db2.gz XMHLWXRHWLFVER-INIZCTEOSA-N 1 0 284.444 2.284 10 0 CEAERO CCN(CC(F)(F)F)C(=O)[C@@H]1[C@H](C)CCC[C@@H]1[NH3+] ZINC000055137068 520417002 /nfs/dbraw/zinc/41/70/02/520417002.db2.gz KRXKTFISTMQIGC-KXUCPTDWSA-N 1 0 266.307 2.161 10 0 CEAERO CCCOc1ccc([C@H](C[NH3+])N(CC)CCOC)cc1 ZINC000052920084 520428132 /nfs/dbraw/zinc/42/81/32/520428132.db2.gz FAKAQYADVKOSKB-INIZCTEOSA-N 1 0 280.412 2.444 10 0 CEAERO CCCOc1ccc([C@](C)(O)C[NH3+])cc1OCCC ZINC000055032634 520433523 /nfs/dbraw/zinc/43/35/23/520433523.db2.gz DFXMNNRSDWJKOS-OAHLLOKOSA-N 1 0 267.369 2.430 10 0 CEAERO CCCOc1ccc([C@](O)(C[NH3+])C(F)(F)F)cc1 ZINC000062784634 520435660 /nfs/dbraw/zinc/43/56/60/520435660.db2.gz UQIUKLZBQITTRV-LLVKDONJSA-N 1 0 263.259 2.184 10 0 CEAERO CCCOc1cccc(CCNC(=O)[C@@H]([NH3+])C(C)C)c1 ZINC000182642274 520451887 /nfs/dbraw/zinc/45/18/87/520451887.db2.gz YVGSXWMCECLWHE-HNNXBMFYSA-N 1 0 278.396 2.117 10 0 CEAERO CCCOc1cccc(C[C@H](C[NH3+])C(=O)N(CC)CC)c1 ZINC000052920866 520457145 /nfs/dbraw/zinc/45/71/45/520457145.db2.gz WRGVXGURXNPNKW-OAHLLOKOSA-N 1 0 292.423 2.461 10 0 CEAERO CCCC[N@H+](CC)CC[C@H](NC(C)C)C(=O)OCC ZINC000062438235 520476229 /nfs/dbraw/zinc/47/62/29/520476229.db2.gz YAEPSRXZMCGWEC-AWEZNQCLSA-N 1 0 272.433 2.428 10 0 CEAERO CCCC[NH+](CCCC)CC[C@@H](NCC)C(=O)OC ZINC000062444492 520494534 /nfs/dbraw/zinc/49/45/34/520494534.db2.gz GMPUCSNIVWNXHC-CQSZACIVSA-N 1 0 272.433 2.430 10 0 CEAERO CCCOc1nc(N[C@H](C)CC[NH+](C)C)ccc1N ZINC000049555353 520495237 /nfs/dbraw/zinc/49/52/37/520495237.db2.gz CURJVIGXUJFBTE-LLVKDONJSA-N 1 0 266.389 2.205 10 0 CEAERO CC1(C)COCCN1c1nc2c(s1)[C@@H]([NH3+])CCC2 ZINC000054898417 520507603 /nfs/dbraw/zinc/50/76/03/520507603.db2.gz WEHUDGYUPIUKGN-VIFPVBQESA-N 1 0 267.398 2.094 10 0 CEAERO CCN(CC)C(=O)[C@@H](C)Oc1cc(F)ccc1[C@H](C)[NH3+] ZINC000062745770 520522187 /nfs/dbraw/zinc/52/21/87/520522187.db2.gz HLFSLSCXRQYVEJ-WDEREUQCSA-N 1 0 282.359 2.481 10 0 CEAERO CCCC[N@H+](CC[C@H](N)C(=O)OCC)[C@@H](C)CC ZINC000062527699 520539113 /nfs/dbraw/zinc/53/91/13/520539113.db2.gz GEZDVNJBLDWIKX-STQMWFEESA-N 1 0 258.406 2.168 10 0 CEAERO CCN(CC)C(=O)c1cc(OC2CCC([NH3+])CC2)ccn1 ZINC000055143609 520544407 /nfs/dbraw/zinc/54/44/07/520544407.db2.gz AMZGDJJEXBYGSD-UHFFFAOYSA-N 1 0 291.395 2.212 10 0 CEAERO CCC[C@@H](C[NH2+]C(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000052951974 520706716 /nfs/dbraw/zinc/70/67/16/520706716.db2.gz JHSWJZATGARPBL-RYUDHWBXSA-N 1 0 261.431 2.226 10 0 CEAERO CC[NH+](CC)C[C@H](C)NC(=O)c1cc(Cl)ccc1NN ZINC000051117123 520733365 /nfs/dbraw/zinc/73/33/65/520733365.db2.gz XTRGEOUTCLKNOJ-JTQLQIEISA-N 1 0 298.818 2.086 10 0 CEAERO CC[NH+](CC)C[C@H](O)CNc1ccc(OC)c(C)c1 ZINC000049530040 520737957 /nfs/dbraw/zinc/73/79/57/520737957.db2.gz OQMRKKGMHMSXFG-CQSZACIVSA-N 1 0 266.385 2.118 10 0 CEAERO CCCCOCCOc1c(C[NH3+])cccc1OC ZINC000049261542 520792727 /nfs/dbraw/zinc/79/27/27/520792727.db2.gz OKQKFOILMIAENO-UHFFFAOYSA-N 1 0 253.342 2.349 10 0 CEAERO CCC[C@@H]1CN(Cc2ncccn2)[C@H]([C@@H](C)CC)C[NH2+]1 ZINC000068700858 520840653 /nfs/dbraw/zinc/84/06/53/520840653.db2.gz GYLAASOTLXGLOU-ZNMIVQPWSA-N 1 0 276.428 2.465 10 0 CEAERO CC[N@H+](CC1CC1)[C@@H](C)C(=O)Nc1ccc(OC)cc1N ZINC000069237155 520963966 /nfs/dbraw/zinc/96/39/66/520963966.db2.gz DBWAVBOZZRIOQR-NSHDSACASA-N 1 0 291.395 2.336 10 0 CEAERO CCOC(=O)[C@@H](C)n1c(CC)[nH+]c2cc(N)ccc21 ZINC000052854439 521044438 /nfs/dbraw/zinc/04/44/38/521044438.db2.gz VBWQFBSYAJINSN-SECBINFHSA-N 1 0 261.325 2.305 10 0 CEAERO CCN(CC[NH2+]C1CCOCC1)Cc1cccs1 ZINC000062767839 521075677 /nfs/dbraw/zinc/07/56/77/521075677.db2.gz PHBAQCWAKNUAHZ-UHFFFAOYSA-N 1 0 268.426 2.339 10 0 CEAERO CCN(CC[NH2+]C1CCOCC1)c1ccccc1F ZINC000062767782 521075901 /nfs/dbraw/zinc/07/59/01/521075901.db2.gz ILEGMCPODZVBTI-UHFFFAOYSA-N 1 0 266.360 2.421 10 0 CEAERO CCN(CCOC)Cc1csc(C[NH2+]CC(C)C)n1 ZINC000052542605 521137797 /nfs/dbraw/zinc/13/77/97/521137797.db2.gz VKSUTOFCIGEHLG-UHFFFAOYSA-N 1 0 285.457 2.357 10 0 CEAERO CCN(CCOC)c1ccc(Cl)cc1C(N)=[NH2+] ZINC000052860132 521138087 /nfs/dbraw/zinc/13/80/87/521138087.db2.gz PYSJGCIPCMTZIF-UHFFFAOYSA-N 1 0 255.749 2.097 10 0 CEAERO CCOC(=O)[C@@](C)(C[C@@H](C)[NH+]1CCC(CC)CC1)NC ZINC000068638346 521147788 /nfs/dbraw/zinc/14/77/88/521147788.db2.gz AOOZIKFDSMKNFQ-CZUORRHYSA-N 1 0 284.444 2.428 10 0 CEAERO CCOC(=O)[C@@](C)(C[C@H](C)[N@H+](CC1CC1)C1CC1)NC ZINC000068648378 521149606 /nfs/dbraw/zinc/14/96/06/521149606.db2.gz AGQCANSDJGHWAQ-BLLLJJGKSA-N 1 0 282.428 2.181 10 0 CEAERO CCOC(=O)[C@@](C[N@H+](C)C[C@@H]1C[C@@H]1C)(NC1CC1)C1CC1 ZINC000069233521 521165455 /nfs/dbraw/zinc/16/54/55/521165455.db2.gz WVVNDHULHUMPBU-DCGLDWPTSA-N 1 0 294.439 2.038 10 0 CEAERO CCOC(=O)[C@@](N)(C[N@H+](C)[C@@H]1CCCC[C@@H]1C)C1CC1 ZINC000069132405 521172263 /nfs/dbraw/zinc/17/22/63/521172263.db2.gz PMALPNMMIWEPSM-JGGQBBKZSA-N 1 0 282.428 2.168 10 0 CEAERO CCC[C@H](O)[C@@H](CC)[NH+]1CCN([C@@H](C)CC)CC1 ZINC000055069594 521192566 /nfs/dbraw/zinc/19/25/66/521192566.db2.gz GYQGKPKBUFRFNE-ZNMIVQPWSA-N 1 0 256.434 2.342 10 0 CEAERO CCC[C@H]1CN(CCOCC)[C@@](C)(C2CC2)C[NH2+]1 ZINC000068702458 521221529 /nfs/dbraw/zinc/22/15/29/521221529.db2.gz IHVWNTUKMPRZEW-LSDHHAIUSA-N 1 0 254.418 2.266 10 0 CEAERO CCOC(=O)[C@H](C)n1c(N)[nH+]c2cc(Cl)ccc21 ZINC000049374747 521229986 /nfs/dbraw/zinc/22/99/86/521229986.db2.gz KTVXTTQGHNJAPS-ZETCQYMHSA-N 1 0 267.716 2.396 10 0 CEAERO CC[N@H+](C[C@@](NC)(C(=O)OC)C1CC1)C1CCCCC1 ZINC000069091386 521234910 /nfs/dbraw/zinc/23/49/10/521234910.db2.gz IPRIGRUEGWPTMX-INIZCTEOSA-N 1 0 282.428 2.182 10 0 CEAERO CCOC(=O)[C@](C)(CCC[N@H+](C)C(C)(C)CC)NC ZINC000069443269 521318944 /nfs/dbraw/zinc/31/89/44/521318944.db2.gz PWCZQHHIQUGSCK-HNNXBMFYSA-N 1 0 272.433 2.428 10 0 CEAERO CCOC(=O)[C@](C)(C[C@@H](C)[NH+]1Cc2ccccc2C1)NC ZINC000068642054 521321065 /nfs/dbraw/zinc/32/10/65/521321065.db2.gz HNJQLIXOJOYQNZ-DYVFJYSZSA-N 1 0 290.407 2.322 10 0 CEAERO CCC[C@]1(c2nc(C[C@H]3CCCO3)no2)CCC[NH2+]C1 ZINC000062871737 521325385 /nfs/dbraw/zinc/32/53/85/521325385.db2.gz LZAQURKKZNUZJK-DOMZBBRYSA-N 1 0 279.384 2.212 10 0 CEAERO CCOC(=O)[C@](C[N@H+](C)[C@@H](C)CC)(NC(C)C)C1CC1 ZINC000069096772 521340458 /nfs/dbraw/zinc/34/04/58/521340458.db2.gz SQPRDZVTPUVQMY-XJKSGUPXSA-N 1 0 284.444 2.427 10 0 CEAERO CCOc1cccc(C[NH2+]C(C)C)c1O[C@H](CC)C(N)=O ZINC000061675791 521358262 /nfs/dbraw/zinc/35/82/62/521358262.db2.gz OUJAVFCBWKUAKB-CYBMUJFWSA-N 1 0 294.395 2.226 10 0 CEAERO CCC(C)(C)OCCn1cc(C[NH2+]CC(C)C)nn1 ZINC000052630559 521359768 /nfs/dbraw/zinc/35/97/68/521359768.db2.gz HMXASQZZPKFXDM-UHFFFAOYSA-N 1 0 268.405 2.229 10 0 CEAERO CCC(C)(C)[C@@H]1CC[C@H](C[NH3+])[C@H](S(C)(=O)=O)C1 ZINC000068608616 521361218 /nfs/dbraw/zinc/36/12/18/521361218.db2.gz WHKKXEXSQWYPRZ-IJLUTSLNSA-N 1 0 261.431 2.211 10 0 CEAERO CCN(Cc1ccco1)CC1(C[NH2+]C)CCOCC1 ZINC000052197639 521397872 /nfs/dbraw/zinc/39/78/72/521397872.db2.gz PJFDFASIUUYEQY-UHFFFAOYSA-N 1 0 266.385 2.118 10 0 CEAERO CCN(Cc1ccco1)C(=O)[C@@]1(CC)CCC[NH2+]C1 ZINC000062857100 521398864 /nfs/dbraw/zinc/39/88/64/521398864.db2.gz FFHRFLBCYCVOOX-HNNXBMFYSA-N 1 0 264.369 2.408 10 0 CEAERO CCN(c1ccccc1C)S(=O)(=O)C[C@H]1CCC[NH2+]C1 ZINC000049641192 521500888 /nfs/dbraw/zinc/50/08/88/521500888.db2.gz QZQCNQDEGWRRFD-AWEZNQCLSA-N 1 0 296.436 2.151 10 0 CEAERO CCC(CC)C[N@H+](CC)C[C@@](NC(C)C)(C(N)=O)C1CC1 ZINC000069132122 521521016 /nfs/dbraw/zinc/52/10/16/521521016.db2.gz BUARHCWPUXUZHH-KRWDZBQOSA-N 1 0 297.487 2.377 10 0 CEAERO CCN1C(=O)C[C@@H]([NH3+])[C@H]1c1cccc(OC(C)C)c1 ZINC000070293183 521523031 /nfs/dbraw/zinc/52/30/31/521523031.db2.gz REHHRLRVCKTFRO-UKRRQHHQSA-N 1 0 262.353 2.094 10 0 CEAERO CCCc1nc(N(C)CC)sc1C[NH2+]CCOC ZINC000054996315 521529144 /nfs/dbraw/zinc/52/91/44/521529144.db2.gz XLBYCFWPKNBMKM-UHFFFAOYSA-N 1 0 271.430 2.288 10 0 CEAERO CCOc1ccccc1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000183173213 521529337 /nfs/dbraw/zinc/52/93/37/521529337.db2.gz XOZKSYRFNABJGJ-JSGCOSHPSA-N 1 0 292.379 2.181 10 0 CEAERO CCCc1nc(N2C[C@@H](C)O[C@@H](C)C2)sc1C[NH3+] ZINC000054995441 521534001 /nfs/dbraw/zinc/53/40/01/521534001.db2.gz PLFDIXGNYJVCFR-AOOOYVTPSA-N 1 0 269.414 2.168 10 0 CEAERO CCCc1[nH+]c2cc(N)ccc2n1Cc1cnn(C)c1 ZINC000052854858 521541332 /nfs/dbraw/zinc/54/13/32/521541332.db2.gz YWMILOCDXMKNLD-UHFFFAOYSA-N 1 0 269.352 2.353 10 0 CEAERO CCCc1[nH+]c2cc(N)ccc2n1[C@H]1CCCNC1=O ZINC000052853420 521542626 /nfs/dbraw/zinc/54/26/26/521542626.db2.gz QGKHTZNAVRVQII-ZDUSSCGKSA-N 1 0 272.352 2.022 10 0 CEAERO CCOc1ccccc1[C@H](C)[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000069140959 521585565 /nfs/dbraw/zinc/58/55/65/521585565.db2.gz 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ZINC000050619451 522023557 /nfs/dbraw/zinc/02/35/57/522023557.db2.gz OMNJHYWCGSVWRX-UHFFFAOYSA-N 1 0 285.269 2.441 10 0 CEAERO C[NH2+]C[C@@H](OC[C@@H]1CCOC1)c1ccccc1F ZINC000050501762 522036072 /nfs/dbraw/zinc/03/60/72/522036072.db2.gz GMWSQWDBBOUEHM-BXUZGUMPSA-N 1 0 253.317 2.139 10 0 CEAERO C[NH2+]C[C@@H](OC[C@H]1CCCO1)c1cccc(OC)c1 ZINC000050494587 522038041 /nfs/dbraw/zinc/03/80/41/522038041.db2.gz JLLYHSLFPYZCOB-HUUCEWRRSA-N 1 0 265.353 2.151 10 0 CEAERO C[NH2+]C[C@@H]1CCCCN1CC(=O)Nc1ccc(C)cc1 ZINC000063168543 522040122 /nfs/dbraw/zinc/04/01/22/522040122.db2.gz KFSQGCFYFFLICJ-HNNXBMFYSA-N 1 0 275.396 2.007 10 0 CEAERO C[NH+](C)[C@@H]1CCN(CC(=O)c2ccc(Cl)s2)C1 ZINC000062966616 522052809 /nfs/dbraw/zinc/05/28/09/522052809.db2.gz JLPYCKGOOIXEBU-SECBINFHSA-N 1 0 272.801 2.220 10 0 CEAERO C[NH2+]C[C@@H]1CC[C@H](COc2ccc(CCOC)cc2)O1 ZINC000052699509 522061555 /nfs/dbraw/zinc/06/15/55/522061555.db2.gz GCDAXYOWXCKCEW-JKSUJKDBSA-N 1 0 279.380 2.021 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1Cc1nc2ccccc2o1 ZINC000063168911 522080323 /nfs/dbraw/zinc/08/03/23/522080323.db2.gz BATVDNNGGNECGF-GFCCVEGCSA-N 1 0 259.353 2.402 10 0 CEAERO CC[C@@H](C)N(CCOC)C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055140614 522089638 /nfs/dbraw/zinc/08/96/38/522089638.db2.gz WYBLIWGHGIEMJH-RDBSUJKOSA-N 1 0 270.417 2.168 10 0 CEAERO C[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000053012880 522093664 /nfs/dbraw/zinc/09/36/64/522093664.db2.gz MFXJHRXGFWQVPM-SNVBAGLBSA-N 1 0 269.186 2.495 10 0 CEAERO CNC(=O)CCCOc1ccc2ccccc2c1C[NH2+]C ZINC000068816502 522100430 /nfs/dbraw/zinc/10/04/30/522100430.db2.gz ZCQDGBWOJVBLIK-UHFFFAOYSA-N 1 0 286.375 2.464 10 0 CEAERO C[NH2+]Cc1c(C)nn(C)c1-n1cc(-c2ccccc2)cn1 ZINC000054961620 522101032 /nfs/dbraw/zinc/10/10/32/522101032.db2.gz VUMLTSLGDCMQJB-UHFFFAOYSA-N 1 0 281.363 2.301 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(Cc2cc(N)ccc2OC)CC1 ZINC000055063384 522126739 /nfs/dbraw/zinc/12/67/39/522126739.db2.gz WSZVYCGGKHBIJR-CYBMUJFWSA-N 1 0 277.412 2.194 10 0 CEAERO 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CC[C@@H](C)NC(=O)[C@@H](C)[NH2+][C@@H]1CCOc2ccccc21 ZINC000052928756 522195444 /nfs/dbraw/zinc/19/54/44/522195444.db2.gz VSZDVPUHLUUDCN-YRGRVCCFSA-N 1 0 276.380 2.403 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(F)cc1OCc1cnn(C)c1 ZINC000062746236 522333196 /nfs/dbraw/zinc/33/31/96/522333196.db2.gz RNQIOOMZWPPMDC-JTQLQIEISA-N 1 0 263.316 2.419 10 0 CEAERO CC[C@H]([NH3+])Cc1cc(C)nc(Cc2cccnc2)n1 ZINC000054835597 522333486 /nfs/dbraw/zinc/33/34/86/522333486.db2.gz ADXOFTZUMCWTKA-ZDUSSCGKSA-N 1 0 256.353 2.051 10 0 CEAERO CC[C@H]([NH3+])Cc1ccc(OC)cc1OC[C@@H]1CCOC1 ZINC000049690010 522333831 /nfs/dbraw/zinc/33/38/31/522333831.db2.gz FLBZGYHJPQGJAS-OCCSQVGLSA-N 1 0 279.380 2.390 10 0 CEAERO C[NH2+][C@@H](CCN1CCn2ccnc2C1)c1ccc(C)cc1 ZINC000062322635 522344929 /nfs/dbraw/zinc/34/49/29/522344929.db2.gz MPAPZSZKMFZZGM-INIZCTEOSA-N 1 0 284.407 2.358 10 0 CEAERO C[NH2+][C@@H](CN1CCN(C)C1=O)c1cccc2ccccc21 ZINC000052885679 522354941 /nfs/dbraw/zinc/35/49/41/522354941.db2.gz SCLBZZSYSYRJTJ-INIZCTEOSA-N 1 0 283.375 2.468 10 0 CEAERO C[NH2+][C@@H](Cc1cc(F)cc(F)c1)c1nccn1C ZINC000069473642 522360059 /nfs/dbraw/zinc/36/00/59/522360059.db2.gz BJYKSTOCBJYRPI-LBPRGKRZSA-N 1 0 251.280 2.202 10 0 CEAERO C[NH2+][C@@H](Cc1ccccn1)c1ccc2c(c1)OCCO2 ZINC000055223883 522361227 /nfs/dbraw/zinc/36/12/27/522361227.db2.gz FKMNMARNJRXZIS-AWEZNQCLSA-N 1 0 270.332 2.356 10 0 CEAERO CC[C@H](NC(=O)C1(C[NH3+])CCOCC1)C1CCCCC1 ZINC000052340793 522361741 /nfs/dbraw/zinc/36/17/41/522361741.db2.gz HXNJEIXDRPAEAY-AWEZNQCLSA-N 1 0 282.428 2.217 10 0 CEAERO COc1cc(C[NH3+])cc(Cl)c1OC1CCOCC1 ZINC000069288482 522363057 /nfs/dbraw/zinc/36/30/57/522363057.db2.gz VOKLTHMAAFSYMU-UHFFFAOYSA-N 1 0 271.744 2.365 10 0 CEAERO C[NH2+][C@@H](Cn1ncccc1=O)c1cccc(C(F)(F)F)c1 ZINC000061402642 522365554 /nfs/dbraw/zinc/36/55/54/522365554.db2.gz FGZXEWKTNYPXSV-LBPRGKRZSA-N 1 0 297.280 2.223 10 0 CEAERO C[NH2+][C@@H](c1ccc2c(c1)CC(=O)N2C)[C@@H]1CCCCO1 ZINC000050961624 522370173 /nfs/dbraw/zinc/37/01/73/522370173.db2.gz 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/nfs/dbraw/zinc/44/77/48/522447748.db2.gz RNQIOOMZWPPMDC-SNVBAGLBSA-N 1 0 263.316 2.419 10 0 CEAERO C[NH2+][C@H](C)c1ccc(NC(=O)[C@@H]2CCCCO2)cc1 ZINC000050959756 522449657 /nfs/dbraw/zinc/44/96/57/522449657.db2.gz FWGHFBYMIRTUAL-RISCZKNCSA-N 1 0 262.353 2.475 10 0 CEAERO CC[C@@H](C)n1ccc(C[C@]2(C[NH2+]C)CCOC2)n1 ZINC000070325585 522454147 /nfs/dbraw/zinc/45/41/47/522454147.db2.gz AITYNXGUEUHIMB-OCCSQVGLSA-N 1 0 251.374 2.023 10 0 CEAERO C[NH2+][C@H](CCCS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000063016779 522459004 /nfs/dbraw/zinc/45/90/04/522459004.db2.gz WAQQLDYLHFFXCO-GFCCVEGCSA-N 1 0 275.801 2.425 10 0 CEAERO C[NH2+][C@H](Cn1ncccc1=O)c1c(C)cc(C)cc1C ZINC000061402258 522478346 /nfs/dbraw/zinc/47/83/46/522478346.db2.gz JLPBXYQFVAOTSX-CQSZACIVSA-N 1 0 271.364 2.129 10 0 CEAERO C[NH2+][C@H](c1ccnn1C)c1cccc(Br)c1 ZINC000069020763 522485196 /nfs/dbraw/zinc/48/51/96/522485196.db2.gz WDKCYYCEXZSDLH-LBPRGKRZSA-N 1 0 280.169 2.491 10 0 CEAERO CC[C@H](NC(=O)[C@@H]([NH3+])CCSC)c1cccs1 ZINC000049532152 522493457 /nfs/dbraw/zinc/49/34/57/522493457.db2.gz IXJSLAGTDYJYQZ-UWVGGRQHSA-N 1 0 272.439 2.396 10 0 CEAERO C[NH2+][C@H]1CCCc2nc(Cc3csc(C)n3)ncc21 ZINC000055296594 522499560 /nfs/dbraw/zinc/49/95/60/522499560.db2.gz BXXWNZTUJZMGQH-LBPRGKRZSA-N 1 0 274.393 2.429 10 0 CEAERO CCc1nc2ccccc2n1CC[NH2+][C@H](C)COC ZINC000062808180 522502556 /nfs/dbraw/zinc/50/25/56/522502556.db2.gz ZEONDDWBISTOMH-GFCCVEGCSA-N 1 0 261.369 2.223 10 0 CEAERO C[NH2+][C@H]1CCO[C@@H](c2cc(OC)cc(OC)c2)C1 ZINC000070340521 522505972 /nfs/dbraw/zinc/50/59/72/522505972.db2.gz IZSODNYTFMUXAP-SMDDNHRTSA-N 1 0 251.326 2.143 10 0 CEAERO C[NH2+][C@H]1CCc2c1cccc2O[C@H](C)C(=O)NCC(C)C ZINC000062799264 522507543 /nfs/dbraw/zinc/50/75/43/522507543.db2.gz FCDZGKBZTUULKN-DOMZBBRYSA-N 1 0 290.407 2.433 10 0 CEAERO C[NH2+][C@](C)(C[C@@H](C)[N@@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000068632780 522519827 /nfs/dbraw/zinc/51/98/27/522519827.db2.gz RXFPXLDUSIARTC-XNRPHZJLSA-N 1 0 282.428 2.482 10 0 CEAERO CN(CC(=O)c1ccc(F)cc1F)[C@H]1CCC[N@H+](C)C1 ZINC000053246095 522536821 /nfs/dbraw/zinc/53/68/21/522536821.db2.gz TZGHMHMTZKDQQA-LBPRGKRZSA-N 1 0 282.334 2.174 10 0 CEAERO CNc1ccc(C(=O)NC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000050788129 522590140 /nfs/dbraw/zinc/59/01/40/522590140.db2.gz BDMSUCHZPOQQHD-ZDUSSCGKSA-N 1 0 275.396 2.333 10 0 CEAERO CNc1ccc(C(=O)N[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000050791210 522594993 /nfs/dbraw/zinc/59/49/93/522594993.db2.gz IQCWMGOZKZGHOS-CYBMUJFWSA-N 1 0 275.396 2.333 10 0 CEAERO CNc1ccc(Cl)c(C(=O)N[C@@H](C[NH+](C)C)C(C)C)n1 ZINC000050779739 522618065 /nfs/dbraw/zinc/61/80/65/522618065.db2.gz TVHIQYIAZRPVTB-NSHDSACASA-N 1 0 298.818 2.093 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc(Cl)ccc1O[C@H](CC)C(N)=O ZINC000061678382 522643180 /nfs/dbraw/zinc/64/31/80/522643180.db2.gz LPJNXMJPSJFDDN-VXGBXAGGSA-N 1 0 284.787 2.263 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc(C)nc(Cc2nc(C)cs2)n1 ZINC000055270023 522643773 /nfs/dbraw/zinc/64/37/73/522643773.db2.gz UQEHWXDFNJGAGP-LLVKDONJSA-N 1 0 276.409 2.421 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccc(OC[C@@H]2CCOC2)c(OC)c1 ZINC000049689945 522643798 /nfs/dbraw/zinc/64/37/98/522643798.db2.gz PNQUNZORHMBRAL-ZIAGYGMSSA-N 1 0 279.380 2.390 10 0 CEAERO CC[C@@H]([NH3+])Cc1cnc(Cc2cccc(OC)c2)nc1 ZINC000054858304 522645083 /nfs/dbraw/zinc/64/50/83/522645083.db2.gz WANGIIXNWZFNFA-CQSZACIVSA-N 1 0 271.364 2.356 10 0 CEAERO CC[C@@H]([NH3+])Cc1cnc(Cc2ccc(OC)cc2)nc1 ZINC000054858156 522645173 /nfs/dbraw/zinc/64/51/73/522645173.db2.gz YRDAVUVUQIVKOW-CQSZACIVSA-N 1 0 271.364 2.356 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](N1CCC[C@@H]1C[NH+](C)C)C(C)(C)C ZINC000061642083 522646215 /nfs/dbraw/zinc/64/62/15/522646215.db2.gz KELVUULDMLVHRU-MGPQQGTHSA-N 1 0 255.450 2.164 10 0 CEAERO CC[C@@H]([NH3+])Cc1nccn1Cc1cc(F)ccc1F ZINC000062803190 522646710 /nfs/dbraw/zinc/64/67/10/522646710.db2.gz VHELKVHAHRJOHH-GFCCVEGCSA-N 1 0 265.307 2.489 10 0 CEAERO CC[C@@H]([NH3+])[C@@](O)(c1ccc(OC)cc1)C(F)(F)F ZINC000062784388 522651269 /nfs/dbraw/zinc/65/12/69/522651269.db2.gz KTZHAMJYMJZPDP-MNOVXSKESA-N 1 0 263.259 2.182 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C1CC1)c1ccco1 ZINC000061594623 522653773 /nfs/dbraw/zinc/65/37/73/522653773.db2.gz XUMWBLONHQRBSY-KOLCDFICSA-N 1 0 294.380 2.070 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cnn(C)c1)N1Cc2ccccc2C1 ZINC000050910110 522656167 /nfs/dbraw/zinc/65/61/67/522656167.db2.gz POFCEXVZEBCJMZ-CVEARBPZSA-N 1 0 270.380 2.214 10 0 CEAERO CNc1nc2ccccc2cc1C[N@@H+]1CCC[C@H](O)C1 ZINC000050817166 522690244 /nfs/dbraw/zinc/69/02/44/522690244.db2.gz PMGRKPFLUDAAKX-AWEZNQCLSA-N 1 0 271.364 2.233 10 0 CEAERO CNc1nc2ccccc2cc1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000050791788 522690292 /nfs/dbraw/zinc/69/02/92/522690292.db2.gz OSOPQFQGHSBSOL-CYBMUJFWSA-N 1 0 285.391 2.481 10 0 CEAERO CC[C@@H]([NH2+]C)c1ccc(OCCC(=O)OC)cc1 ZINC000069317124 522805332 /nfs/dbraw/zinc/80/53/32/522805332.db2.gz DTXOOQAQRVWLMS-CYBMUJFWSA-N 1 0 251.326 2.299 10 0 CEAERO COC[C@H](O)COc1c2ccccc2ccc1[C@H](C)[NH3+] ZINC000069053622 522807185 /nfs/dbraw/zinc/80/71/85/522807185.db2.gz PYNCDDSAGIXMLM-AAEUAGOBSA-N 1 0 275.348 2.246 10 0 CEAERO COc1cc(OC)cc(N2CCC[NH2+]C[C@H](C)C2)c1 ZINC000049663545 522862553 /nfs/dbraw/zinc/86/25/53/522862553.db2.gz ONZSTKYXBYXOTP-LBPRGKRZSA-N 1 0 264.369 2.140 10 0 CEAERO CC[C@@H]([NH2+]Cc1ccc(OCC(N)=O)cc1)C(C)C ZINC000049126709 522877439 /nfs/dbraw/zinc/87/74/39/522877439.db2.gz DBAXDMNVSJSVDQ-CQSZACIVSA-N 1 0 264.369 2.075 10 0 CEAERO COc1cc([C@H](C)[NH3+])ccc1OC[C@H](O)C(F)(F)F ZINC000068875692 522938455 /nfs/dbraw/zinc/93/84/55/522938455.db2.gz SOLVQMPJZBSRPB-CPCISQLKSA-N 1 0 279.258 2.017 10 0 CEAERO COCC1CCN(c2ccccc2C[C@H](C)[NH3+])CC1 ZINC000070083616 522938788 /nfs/dbraw/zinc/93/87/88/522938788.db2.gz LKSYAKHKWLKYEV-ZDUSSCGKSA-N 1 0 262.397 2.439 10 0 CEAERO COC(=O)CCC[NH2+]Cc1cccc2cnccc21 ZINC000061125319 523030492 /nfs/dbraw/zinc/03/04/92/523030492.db2.gz SNZDCIUMZDJDAI-UHFFFAOYSA-N 1 0 258.321 2.278 10 0 CEAERO CC[C@@H]1CCCC[N@@H+]1CC[C@H](NC(C)C)C(=O)OC ZINC000062446209 523175696 /nfs/dbraw/zinc/17/56/96/523175696.db2.gz GAXXMBSXCRUMOP-KGLIPLIRSA-N 1 0 270.417 2.181 10 0 CEAERO COc1ccc(-c2nc(C)cc(C[C@@H](C)[NH3+])n2)cc1 ZINC000054835472 523197082 /nfs/dbraw/zinc/19/70/82/523197082.db2.gz HMYPVUKCJBSFLA-SNVBAGLBSA-N 1 0 257.337 2.350 10 0 CEAERO CCn1c(S[C@H](c2ccc(C)cc2)[C@H](C)[NH3+])n[nH]c1=O ZINC000061594183 523246427 /nfs/dbraw/zinc/24/64/27/523246427.db2.gz ZZXBRAIMDQFPAF-JQWIXIFHSA-N 1 0 292.408 2.080 10 0 CEAERO CCn1c(S[C@H](c2ccc(C)cc2)[C@@H](C)[NH3+])n[nH]c1=O ZINC000061594181 523247170 /nfs/dbraw/zinc/24/71/70/523247170.db2.gz ZZXBRAIMDQFPAF-PWSUYJOCSA-N 1 0 292.408 2.080 10 0 CEAERO CN(Cc1ccc(F)cc1)Cc1cc[nH+]c(NN)c1 ZINC000052722919 523252938 /nfs/dbraw/zinc/25/29/38/523252938.db2.gz IOFIPAVGEPOOTO-UHFFFAOYSA-N 1 0 260.316 2.138 10 0 CEAERO CC[C@@H]1CCC[C@H](NS(=O)(=O)c2ccccc2C[NH3+])C1 ZINC000068602097 523304369 /nfs/dbraw/zinc/30/43/69/523304369.db2.gz RJRMWWIPLWAOLL-OCCSQVGLSA-N 1 0 296.436 2.392 10 0 CEAERO CO[C@@H](C(=O)N(C)CC[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000050437508 523308226 /nfs/dbraw/zinc/30/82/26/523308226.db2.gz GNHUMHGRWUPDOG-HZPDHXFCSA-N 1 0 290.407 2.365 10 0 CEAERO COCCCNC(=O)[C@@H](C)[NH2+][C@H]1CCCc2sccc21 ZINC000061362449 523345964 /nfs/dbraw/zinc/34/59/64/523345964.db2.gz LYCCRWMMNHDYIA-YPMHNXCESA-N 1 0 296.436 2.256 10 0 CEAERO CCn1cc(CN2C[C@H](CC[NH3+])c3ccccc32)cn1 ZINC000063129087 523375381 /nfs/dbraw/zinc/37/53/81/523375381.db2.gz GSQQNGPPSWGKBQ-AWEZNQCLSA-N 1 0 270.380 2.356 10 0 CEAERO CC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)CCO1 ZINC000070356727 523382374 /nfs/dbraw/zinc/38/23/74/523382374.db2.gz JBDNSZBOQLYLTD-DRZSPHRISA-N 1 0 289.379 2.464 10 0 CEAERO CN(Cc1ccccn1)C[C@@](C)([NH3+])c1ccccc1 ZINC000052883324 523397868 /nfs/dbraw/zinc/39/78/68/523397868.db2.gz GMVZZMXJCQLEMV-MRXNPFEDSA-N 1 0 255.365 2.388 10 0 CEAERO COCCCOc1ccnc(C[NH2+]C(C)(C)C)c1 ZINC000051522387 523425547 /nfs/dbraw/zinc/42/55/47/523425547.db2.gz UPNNQFIIXJVCHL-UHFFFAOYSA-N 1 0 252.358 2.385 10 0 CEAERO CN(Cc1cccs1)Cc1cccnc1C(N)=[NH2+] ZINC000061657968 523447680 /nfs/dbraw/zinc/44/76/80/523447680.db2.gz QTUKFSJBLICPKC-UHFFFAOYSA-N 1 0 260.366 2.059 10 0 CEAERO CC[C@](C)(C[NH3+])N(C)S(=O)(=O)c1ccc(C)cc1C ZINC000050093431 523460735 /nfs/dbraw/zinc/46/07/35/523460735.db2.gz OQYUCUQDBQUTND-CQSZACIVSA-N 1 0 284.425 2.051 10 0 CEAERO CN(Cc1cnn(C)c1)c1nc(C(C)(C)C)c(C[NH3+])s1 ZINC000055001320 523519416 /nfs/dbraw/zinc/51/94/16/523519416.db2.gz PPQFIELHFBTKCX-UHFFFAOYSA-N 1 0 293.440 2.269 10 0 CEAERO CC[C@]1(C(=O)NCCC2CCCC2)CCC[NH2+]C1 ZINC000062856070 523535898 /nfs/dbraw/zinc/53/58/98/523535898.db2.gz RRFJBMOSOFJEFK-HNNXBMFYSA-N 1 0 252.402 2.463 10 0 CEAERO CN(Cc1cscn1)Cc1[nH+]c(NN)ccc1Cl ZINC000061631179 523540706 /nfs/dbraw/zinc/54/07/06/523540706.db2.gz YEWBJMXMLSGTGD-UHFFFAOYSA-N 1 0 283.788 2.109 10 0 CEAERO CC[C@]1(C(=O)N[C@@H](C)COc2ccc(C)cc2)CC[NH2+]C1 ZINC000062898852 523541421 /nfs/dbraw/zinc/54/14/21/523541421.db2.gz TZFSZQYXTTTYDE-YOEHRIQHSA-N 1 0 290.407 2.268 10 0 CEAERO CCn1ccnc1[C@H](Cc1ccccc1OC)[NH2+]C ZINC000069497897 523555509 /nfs/dbraw/zinc/55/55/09/523555509.db2.gz PBODURYFTKTRFI-ZDUSSCGKSA-N 1 0 259.353 2.415 10 0 CEAERO COCCN(C)CCNC1=[NH+]C2(CS1)CCC(C)CC2 ZINC000061380051 523600650 /nfs/dbraw/zinc/60/06/50/523600650.db2.gz XVBGYZACRJMBFE-UHFFFAOYSA-N 1 0 299.484 2.206 10 0 CEAERO CC[C@]1(c2nc(Cc3ccccn3)no2)CCC[NH2+]C1 ZINC000062871785 523631173 /nfs/dbraw/zinc/63/11/73/523631173.db2.gz SYUOWGFBIBYFBR-HNNXBMFYSA-N 1 0 272.352 2.087 10 0 CEAERO COc1ccc(C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000063189498 523633126 /nfs/dbraw/zinc/63/31/26/523633126.db2.gz JZZYWZAHZLFQPK-HOTGVXAUSA-N 1 0 288.391 2.442 10 0 CEAERO CN(c1ccccc1F)S(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000050006567 523656586 /nfs/dbraw/zinc/65/65/86/523656586.db2.gz QIVIBKAGPBZGCN-UHFFFAOYSA-N 1 0 294.351 2.110 10 0 CEAERO CC[C@@]1(C(=O)N(CCOC)[C@H](C)C2CC2)CCC[NH2+]C1 ZINC000062857227 523690343 /nfs/dbraw/zinc/69/03/43/523690343.db2.gz OBDODWBLGVGOFE-CZUORRHYSA-N 1 0 282.428 2.040 10 0 CEAERO COc1ccc(C(=O)NC[C@H]2CCC[C@@H](C)[NH2+]2)cc1F ZINC000061668784 523711304 /nfs/dbraw/zinc/71/13/04/523711304.db2.gz DVUIEDPZLGSQRQ-ZYHUDNBSSA-N 1 0 280.343 2.095 10 0 CEAERO COCCN(c1cccc(C[NH2+]C(C)C)n1)[C@H](C)COC ZINC000051519254 523784475 /nfs/dbraw/zinc/78/44/75/523784475.db2.gz ZKHOBWYBWUSQQW-CQSZACIVSA-N 1 0 295.427 2.067 10 0 CEAERO COc1ccc(C)cc1C(=O)N1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000052943840 523801053 /nfs/dbraw/zinc/80/10/53/523801053.db2.gz FKNIVYLJUNMAQB-HUUCEWRRSA-N 1 0 288.391 2.360 10 0 CEAERO COc1ccc(C)cc1C(=O)NC[C@@H]1CCC[C@H](C)[NH2+]1 ZINC000052943454 523803226 /nfs/dbraw/zinc/80/32/26/523803226.db2.gz WCYVIKOHFPYBET-STQMWFEESA-N 1 0 276.380 2.264 10 0 CEAERO COC(=O)[C@@](C)(C[C@H](C)[NH+]1CCCCC1)NC(C)C ZINC000068620310 523817249 /nfs/dbraw/zinc/81/72/49/523817249.db2.gz SFTAQPRJJARDDM-DZGCQCFKSA-N 1 0 270.417 2.181 10 0 CEAERO COC(=O)[C@@](N)(C[NH+]1CCC(C(C)(C)C)CC1)C1CC1 ZINC000069231567 523824764 /nfs/dbraw/zinc/82/47/64/523824764.db2.gz JDQHSOWWDJISRB-MRXNPFEDSA-N 1 0 282.428 2.025 10 0 CEAERO C[N@@H+]1CCC[C@H]1CCOc1nc(Cl)nc(Cl)n1 ZINC000061517907 523849967 /nfs/dbraw/zinc/84/99/67/523849967.db2.gz CEGWXOASFBGMBD-ZETCQYMHSA-N 1 0 277.155 2.042 10 0 CEAERO COc1ccc(C)cc1[C@H](O)C[NH2+][C@H](CN(C)C)C(C)C ZINC000049204738 523860376 /nfs/dbraw/zinc/86/03/76/523860376.db2.gz ZDDZKYSCNGAEQC-HZPDHXFCSA-N 1 0 294.439 2.213 10 0 CEAERO COc1ccc(C=O)cc1CN1CCC[C@@H]1C[NH+](C)C ZINC000061645695 523885810 /nfs/dbraw/zinc/88/58/10/523885810.db2.gz YHEBHHZZCKPLHU-OAHLLOKOSA-N 1 0 276.380 2.034 10 0 CEAERO COCCNC(=O)CC[NH2+]Cc1ccc(C(C)C)cc1 ZINC000067221024 523890117 /nfs/dbraw/zinc/89/01/17/523890117.db2.gz QTOUTSNMZJYEDZ-UHFFFAOYSA-N 1 0 278.396 2.052 10 0 CEAERO COC(=O)[C@H](c1ccccc1)N1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602199 523939002 /nfs/dbraw/zinc/93/90/02/523939002.db2.gz MVJUDMCSQWPAAM-UYTSQGDYSA-N 1 0 288.391 2.245 10 0 CEAERO COCC[NH2+]C[C@@H](CCOC)Cc1ccccc1C ZINC000054667296 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269.761 2.034 10 0 CEAERO Cc1cccc([C@H]([NH3+])c2ccc3c(c2)oc(=O)n3C)c1 ZINC000051362001 524880949 /nfs/dbraw/zinc/88/09/49/524880949.db2.gz XYELDBWDMRHUAE-HNNXBMFYSA-N 1 0 268.316 2.488 10 0 CEAERO C[C@H]1C[C@H](C)C[NH+](Cc2cccnc2C(N)=S)C1 ZINC000061659659 524885904 /nfs/dbraw/zinc/88/59/04/524885904.db2.gz WVIJZLIMHUSZSQ-QWRGUYRKSA-N 1 0 263.410 2.194 10 0 CEAERO COc1ccc(OC)c([C@@H](O)[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000054685611 524888041 /nfs/dbraw/zinc/88/80/41/524888041.db2.gz ZNJFUJZJYUTBEP-DOTOQJQBSA-N 1 0 287.359 2.307 10 0 CEAERO C[C@@H](Cc1ccsc1)NC(=O)C1(C)CC[NH2+]CC1 ZINC000062841283 524937093 /nfs/dbraw/zinc/93/70/93/524937093.db2.gz VBNYQFRVECFLGI-NSHDSACASA-N 1 0 266.410 2.185 10 0 CEAERO C[C@@H](Cc1ccsc1)[NH2+][C@H]1CN2CCC1CC2 ZINC000049155901 524940860 /nfs/dbraw/zinc/94/08/60/524940860.db2.gz RPRIWZNOTFCWTD-FZMZJTMJSA-N 1 0 250.411 2.363 10 0 CEAERO Cc1cc(F)ccc1C[C@@H](C[NH3+])C(=O)NC(C)(C)C ZINC000050568822 524981540 /nfs/dbraw/zinc/98/15/40/524981540.db2.gz 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/nfs/dbraw/zinc/03/74/78/525037478.db2.gz RSCHVOGPGVGBFE-LBPRGKRZSA-N 1 0 275.396 2.039 10 0 CEAERO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2CCCO)cc1F ZINC000052762848 525053575 /nfs/dbraw/zinc/05/35/75/525053575.db2.gz XWCYPRJGABNJQG-AWEZNQCLSA-N 1 0 294.370 2.310 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H](C)N1C(=O)Nc1ccc(F)cc1F ZINC000069133541 525100820 /nfs/dbraw/zinc/10/08/20/525100820.db2.gz IALNSMZYXIUXPB-DTORHVGOSA-N 1 0 269.295 2.179 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H](C)N1Cc1noc(-c2ccc(F)cc2)n1 ZINC000069134370 525103072 /nfs/dbraw/zinc/10/30/72/525103072.db2.gz NDZHXDWNBNYAIV-PHIMTYICSA-N 1 0 290.342 2.058 10 0 CEAERO CS(=O)(=O)C[C@H]([NH3+])c1ccc(-c2ccccc2)cc1 ZINC000054930081 525138036 /nfs/dbraw/zinc/13/80/36/525138036.db2.gz SBDWMNKFZYUCOM-HNNXBMFYSA-N 1 0 275.373 2.398 10 0 CEAERO C[C@H](NC(=O)[C@H]1[NH2+]CCC[C@@H]1C)C1CCCCC1 ZINC000052343597 525185832 /nfs/dbraw/zinc/18/58/32/525185832.db2.gz BVIIIYPQPKJJPY-OBJOEFQTSA-N 1 0 252.402 2.460 10 0 CEAERO COc1ccc([C@@H](O)C[NH2+][C@]2(CO)CCC[C@@H](C)C2)cc1 ZINC000053125947 525207764 /nfs/dbraw/zinc/20/77/64/525207764.db2.gz LXVFBNGASGZASH-XOKHGSTOSA-N 1 0 293.407 2.259 10 0 CEAERO C[C@]1(c2ccc3c(c2)OCCO3)C[C@H]1C[NH2+]C1CC1 ZINC000054596126 525318909 /nfs/dbraw/zinc/31/89/09/525318909.db2.gz HDGQYEQNMMRFGK-BLLLJJGKSA-N 1 0 259.349 2.487 10 0 CEAERO C[C@@H]([NH2+]CCc1nncn1C)c1cnc2ccsc2c1 ZINC000068692061 525471356 /nfs/dbraw/zinc/47/13/56/525471356.db2.gz HOXXBKMKLGFQKB-SNVBAGLBSA-N 1 0 287.392 2.318 10 0 CEAERO CSCCC[NH2+]CC(=O)Nc1ccc(F)cc1 ZINC000069446672 525477407 /nfs/dbraw/zinc/47/74/07/525477407.db2.gz ZJDPGGCQUMCVCK-UHFFFAOYSA-N 1 0 256.346 2.107 10 0 CEAERO C[C@@H]1C[C@H]1[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000052275412 525498518 /nfs/dbraw/zinc/49/85/18/525498518.db2.gz DBYNKQYDWDXUMR-IJLUTSLNSA-N 1 0 254.374 2.384 10 0 CEAERO Cc1ccn(-c2cc(C(N)=[NH2+])c3ccccc3n2)n1 ZINC000068798125 525555626 /nfs/dbraw/zinc/55/56/26/525555626.db2.gz RMJIRZGBWXIDMC-UHFFFAOYSA-N 1 0 251.293 2.013 10 0 CEAERO Cc1cc2c(c(C)c1)C(=O)C(=O)N2CC[NH2+]C(C)(C)C ZINC000048785467 525590141 /nfs/dbraw/zinc/59/01/41/525590141.db2.gz PURQULRBIOOOPN-UHFFFAOYSA-N 1 0 274.364 2.221 10 0 CEAERO CSC[C@@H](C)C[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000069447700 525621677 /nfs/dbraw/zinc/62/16/77/525621677.db2.gz MQMRFQGUNCGSAV-GWCFXTLKSA-N 1 0 257.374 2.448 10 0 CEAERO COc1ccc2cc([C@@H]([NH3+])[C@@H]3COCCO3)ccc2c1 ZINC000055301237 525638125 /nfs/dbraw/zinc/63/81/25/525638125.db2.gz XKFUZFYEKVQIGX-JKSUJKDBSA-N 1 0 273.332 2.264 10 0 CEAERO Cc1ccnc(NC(=O)[C@@H](C[NH3+])c2ccccc2)c1 ZINC000061611022 525686221 /nfs/dbraw/zinc/68/62/21/525686221.db2.gz RRGWFKRSJDSLHB-ZDUSSCGKSA-N 1 0 255.321 2.071 10 0 CEAERO C[C@@](O)(CN1CCC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000062801010 525765094 /nfs/dbraw/zinc/76/50/94/525765094.db2.gz ICHBYFWCFDCWEG-IAGOWNOFSA-N 1 0 274.408 2.064 10 0 CEAERO Cc1ccsc1C(=O)N1C[C@@H](C[NH3+])CC[C@H]1C ZINC000070179959 525820509 /nfs/dbraw/zinc/82/05/09/525820509.db2.gz YNTFFLFPTIGWQT-GHMZBOCLSA-N 1 0 252.383 2.256 10 0 CEAERO C[C@@H](O)c1ccccc1NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000049547186 525873194 /nfs/dbraw/zinc/87/31/94/525873194.db2.gz HMXTUTYSKPDAKX-BXKDBHETSA-N 1 0 250.342 2.052 10 0 CEAERO COc1cccc(CN(C)Cc2ccnc(C(N)=[NH2+])c2)c1 ZINC000068761343 525914379 /nfs/dbraw/zinc/91/43/79/525914379.db2.gz KNNLIOCBKQWJEP-UHFFFAOYSA-N 1 0 284.363 2.006 10 0 CEAERO COc1cccc(CN(C)c2cccc(C[NH3+])c2)n1 ZINC000070093110 525920472 /nfs/dbraw/zinc/92/04/72/525920472.db2.gz LJNDZISTMVKIKH-UHFFFAOYSA-N 1 0 257.337 2.185 10 0 CEAERO C[C@@H](Oc1cccc2c1CC[C@H]2[NH3+])C(=O)N1CCCC1 ZINC000062798673 525947192 /nfs/dbraw/zinc/94/71/92/525947192.db2.gz QNWIPCRSFUARFZ-BXUZGUMPSA-N 1 0 274.364 2.022 10 0 CEAERO Cc1ccc([C@H](C[NH3+])Sc2n[nH]c(=O)n2C2CC2)cc1 ZINC000061594577 525953519 /nfs/dbraw/zinc/95/35/19/525953519.db2.gz SNSAARQPVWBTEP-LBPRGKRZSA-N 1 0 290.392 2.007 10 0 CEAERO Cc1ccc([C@H](O)CC[NH2+]C[C@H]2CCCO2)c(C)c1 ZINC000049854657 525972266 /nfs/dbraw/zinc/97/22/66/525972266.db2.gz OULHKXSZTGQSQM-GDBMZVCRSA-N 1 0 263.381 2.496 10 0 CEAERO Cc1ccc(Br)c(C(=O)NC[C@H]2CC[NH2+]C2)c1 ZINC000161255930 525980274 /nfs/dbraw/zinc/98/02/74/525980274.db2.gz AFDBXLOICZEISD-JTQLQIEISA-N 1 0 297.196 2.097 10 0 CEAERO Cc1cnc(CNC(=O)Nc2ccc([C@@H](C)[NH3+])cc2)cn1 ZINC000061323723 526031629 /nfs/dbraw/zinc/03/16/29/526031629.db2.gz ZMGUWARZZKZFIM-LLVKDONJSA-N 1 0 285.351 2.126 10 0 CEAERO C[C@H](c1ccc(Br)s1)N(C)CC[NH3+] ZINC000054417131 526041223 /nfs/dbraw/zinc/04/12/23/526041223.db2.gz RMRLBOJHUQLBTP-SSDOTTSWSA-N 1 0 263.204 2.462 10 0 CEAERO Cc1cc(-n2nnc(-c3ccccc3)n2)ccc1C[NH3+] ZINC000050585077 526081202 /nfs/dbraw/zinc/08/12/02/526081202.db2.gz QYCBYQLISBIDKC-UHFFFAOYSA-N 1 0 265.320 2.096 10 0 CEAERO COc1cccc(N(CCC[NH3+])c2ccnc(C)n2)c1 ZINC000054935394 526135424 /nfs/dbraw/zinc/13/54/24/526135424.db2.gz MFYXLCSDYBNWTO-UHFFFAOYSA-N 1 0 272.352 2.281 10 0 CEAERO COc1cccc(N(CCC[NH3+])C2CCOCC2)c1 ZINC000069289713 526135989 /nfs/dbraw/zinc/13/59/89/526135989.db2.gz WSBDGZVNUFXEPZ-UHFFFAOYSA-N 1 0 264.369 2.029 10 0 CEAERO Cc1ccc(C(=O)NCc2ccc(CC[NH3+])cc2)c(O)c1 ZINC000052898808 526185091 /nfs/dbraw/zinc/18/50/91/526185091.db2.gz GRVGJLBTTQPZAT-UHFFFAOYSA-N 1 0 284.359 2.132 10 0 CEAERO Cc1ccc(C(N)=O)c(NC[C@H]([NH3+])c2ccccc2)c1 ZINC000062838669 526251803 /nfs/dbraw/zinc/25/18/03/526251803.db2.gz CPABIIYABYMADK-AWEZNQCLSA-N 1 0 269.348 2.206 10 0 CEAERO Cc1nn(CCCOCC(F)(F)F)c(C)c1C[C@H](C)[NH3+] ZINC000054741140 526280255 /nfs/dbraw/zinc/28/02/55/526280255.db2.gz IRKQSKLGIJPKDW-VIFPVBQESA-N 1 0 293.333 2.359 10 0 CEAERO Cc1nn(C[C@@H]2CCC[NH2+]2)c(C)c1Br ZINC000050593319 526285469 /nfs/dbraw/zinc/28/54/69/526285469.db2.gz IVGXCMLQZLRXIA-VIFPVBQESA-N 1 0 258.163 2.014 10 0 CEAERO Cc1nn(C[C@H]2CC[C@@H](C[NH2+]C3CC3)O2)c(C)c1C ZINC000052591652 526285741 /nfs/dbraw/zinc/28/57/41/526285741.db2.gz IVJARZTXPUWVFT-LSDHHAIUSA-N 1 0 263.385 2.108 10 0 CEAERO Fc1ccc2ccn(CC[NH2+]C[C@H]3CCOC3)c2c1 ZINC000053528081 526376479 /nfs/dbraw/zinc/37/64/79/526376479.db2.gz FFBCEYUZYOVVNA-GFCCVEGCSA-N 1 0 262.328 2.407 10 0 CEAERO c1cc(-c2noc(CC[C@H]3CCCC[NH2+]3)n2)ccn1 ZINC000050927992 526415308 /nfs/dbraw/zinc/41/53/08/526415308.db2.gz SADNWTAPWAHLDW-GFCCVEGCSA-N 1 0 258.325 2.206 10 0 CEAERO c1cc(CN(CC[NH2+]C2CCOCC2)C2CC2)cs1 ZINC000062767815 526421205 /nfs/dbraw/zinc/42/12/05/526421205.db2.gz JZXLIUGXXXQPTJ-UHFFFAOYSA-N 1 0 280.437 2.481 10 0 CEAERO O=C(Oc1ccccc1)N1CC[NH+](CC2CC2)CC1 ZINC000070263797 526445734 /nfs/dbraw/zinc/44/57/34/526445734.db2.gz WFYQVTIWVXURGN-UHFFFAOYSA-N 1 0 260.337 2.213 10 0 CEAERO c1ccc([C@@H](C[NH2+]C2CC2)N2CCCOCC2)cc1 ZINC000061935967 526489554 /nfs/dbraw/zinc/48/95/54/526489554.db2.gz XILJXTOLSBQFKZ-MRXNPFEDSA-N 1 0 260.381 2.202 10 0 CEAERO c1ccc2c(c1)C[C@@H](c1nnc(CC[NH2+]C3CC3)o1)O2 ZINC000050620438 526508374 /nfs/dbraw/zinc/50/83/74/526508374.db2.gz IBOLZPBWOGFQCE-ZDUSSCGKSA-N 1 0 271.320 2.040 10 0 CEAERO O=C(CC[C@H]1CCCC[NH2+]1)N(Cc1ccccn1)C1CC1 ZINC000050946162 526564646 /nfs/dbraw/zinc/56/46/46/526564646.db2.gz WOJMXQDTVHQWDH-CQSZACIVSA-N 1 0 287.407 2.495 10 0 CEAERO O=C(CC[C@H]1CCCC[NH2+]1)NC(C1CC1)C1CC1 ZINC000050949993 526564990 /nfs/dbraw/zinc/56/49/90/526564990.db2.gz GAIKDYKJNYHTHH-CYBMUJFWSA-N 1 0 250.386 2.214 10 0 CEAERO O=C(CC[C@H]1CCCC[NH2+]1)Nc1cccc2n[nH]cc21 ZINC000050945806 526565355 /nfs/dbraw/zinc/56/53/55/526565355.db2.gz KJQDHLUDXJAEKY-LLVKDONJSA-N 1 0 272.352 2.424 10 0 CEAERO Cc1nc(-c2ccc(NC(=O)[C@H](C)C[NH3+])cc2)co1 ZINC000054339079 526577240 /nfs/dbraw/zinc/57/72/40/526577240.db2.gz BGKFWEWTCLOZFX-SECBINFHSA-N 1 0 259.309 2.183 10 0 CEAERO Cc1oc(COc2ccc(S(C)(=O)=O)cc2)cc1C[NH3+] ZINC000052702103 526777057 /nfs/dbraw/zinc/77/70/57/526777057.db2.gz YEUWQIZQGXDVMD-UHFFFAOYSA-N 1 0 295.360 2.029 10 0 CEAERO NC(=[NH2+])c1cc(OC2CCOCC2)nc2ccccc21 ZINC000068798301 526820794 /nfs/dbraw/zinc/82/07/94/526820794.db2.gz GOTPLDUANURQKM-UHFFFAOYSA-N 1 0 271.320 2.077 10 0 CEAERO NC(=[NH2+])c1ncccc1COc1ccc2c(c1)CCC2 ZINC000061658694 526825081 /nfs/dbraw/zinc/82/50/81/526825081.db2.gz JDWCJOZCIVQGRR-UHFFFAOYSA-N 1 0 267.332 2.433 10 0 CEAERO O=C(NOCC[NH+]1CCCC1)Nc1ccc(Cl)cc1 ZINC000062578324 526844456 /nfs/dbraw/zinc/84/44/56/526844456.db2.gz ISDNMUKYNGNMAH-UHFFFAOYSA-N 1 0 283.759 2.489 10 0 CEAERO O=C(N[C@@H]1CCCC[NH2+]C1)c1cc(Cl)c(Cl)[nH]1 ZINC000070119975 526884474 /nfs/dbraw/zinc/88/44/74/526884474.db2.gz VPVULXMXAWRQHR-SSDOTTSWSA-N 1 0 276.167 2.193 10 0 CEAERO O=C(N[C@@H]1CCCC[NH2+]C1)c1cc2c(s1)CCC2 ZINC000070120484 526884608 /nfs/dbraw/zinc/88/46/08/526884608.db2.gz OPSSSPHRTGLWQK-LLVKDONJSA-N 1 0 264.394 2.109 10 0 CEAERO COc1ccc(C[C@@H](C)[NH2+]CCc2cn(C)cn2)cc1 ZINC000313288556 536501931 /nfs/dbraw/zinc/50/19/31/536501931.db2.gz YZTPWHDCENKINH-CYBMUJFWSA-N 1 0 273.380 2.192 10 0 CEAERO Cc1nc(N(C)C[C@H]2CCCCO2)sc1[C@@H](C)[NH3+] ZINC000054896706 526950302 /nfs/dbraw/zinc/95/03/02/526950302.db2.gz ZRUUVPGPQWCSJH-MWLCHTKSSA-N 1 0 269.414 2.477 10 0 CEAERO Cc1nc(N2CCCC2)nc(C)c1CCC[NH2+]C1CC1 ZINC000054837810 526965068 /nfs/dbraw/zinc/96/50/68/526965068.db2.gz RCZCFTBJCPGKBW-UHFFFAOYSA-N 1 0 274.412 2.378 10 0 CEAERO Cc1nc(N2C[C@@H](C)O[C@@H](C)C2)sc1[C@@H](C)[NH3+] ZINC000054864238 526973209 /nfs/dbraw/zinc/97/32/09/526973209.db2.gz LIEBUBAMLJQUKE-HRDYMLBCSA-N 1 0 255.387 2.085 10 0 CEAERO NC(=O)[C@@]([NH3+])(CSc1ccccc1Cl)C1CC1 ZINC000069186592 526991189 /nfs/dbraw/zinc/99/11/89/526991189.db2.gz QNKLAHVMAGQABB-GFCCVEGCSA-N 1 0 270.785 2.025 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccnc(Cl)c1 ZINC000052709609 527146648 /nfs/dbraw/zinc/14/66/48/527146648.db2.gz YYYVSTIUQSQWMU-YOGCLGLASA-N 1 0 251.761 2.189 10 0 CEAERO NC(=O)c1cc(NC2(C[NH3+])CCCC2)nc2ccccc21 ZINC000068771349 527164869 /nfs/dbraw/zinc/16/48/69/527164869.db2.gz ORGFPEODHOCSPM-UHFFFAOYSA-N 1 0 284.363 2.017 10 0 CEAERO [NH3+]CCCc1cnn(-c2ccc(C(F)(F)F)cn2)c1 ZINC000054670230 527182671 /nfs/dbraw/zinc/18/26/71/527182671.db2.gz TUMITVBBFFNYOP-UHFFFAOYSA-N 1 0 270.258 2.177 10 0 CEAERO [NH3+]CCCc1nc(-c2cccc(Br)c2)n[nH]1 ZINC000061844162 527182908 /nfs/dbraw/zinc/18/29/08/527182908.db2.gz BNWSOEBACYVOPX-UHFFFAOYSA-N 1 0 281.157 2.126 10 0 CEAERO [NH3+]CCN1C(=O)S/C(=C/c2ccc3ncccc3c2)C1=O ZINC000069500566 527186517 /nfs/dbraw/zinc/18/65/17/527186517.db2.gz QXRUXQPXWFALGA-UKTHLTGXSA-N 1 0 299.355 2.230 10 0 CEAERO NC(=O)c1c(Cl)cccc1N1CCCC[C@@H]1CC[NH3+] ZINC000070150311 527194116 /nfs/dbraw/zinc/19/41/16/527194116.db2.gz UOCOXHWPFRQGJY-SNVBAGLBSA-N 1 0 281.787 2.147 10 0 CEAERO [NH3+]CCc1nccn1Cc1ccc(F)cc1Br ZINC000052304076 527199231 /nfs/dbraw/zinc/19/92/31/527199231.db2.gz CQCOVGBWPLSHAW-UHFFFAOYSA-N 1 0 298.159 2.334 10 0 CEAERO [NH3+]C[C@@H](c1csc2ccccc12)N1CCOCC1 ZINC000054463832 527207529 /nfs/dbraw/zinc/20/75/29/527207529.db2.gz ASMQRTZCRLWCOY-ZDUSSCGKSA-N 1 0 262.378 2.233 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1N1C(=O)CC2(CCCCCC2)C1=O ZINC000061884272 527215826 /nfs/dbraw/zinc/21/58/26/527215826.db2.gz CPJMSUPXPHAKTO-QWHCGFSZSA-N 1 0 278.396 2.213 10 0 CEAERO [NH3+]C[C@H](Sc1ncnc2[nH]cnc21)c1ccsc1 ZINC000051035992 527229273 /nfs/dbraw/zinc/22/92/73/527229273.db2.gz LEAGXMLQIVQACW-QMMMGPOBSA-N 1 0 277.378 2.207 10 0 CEAERO [NH3+]C[C@]1(Cc2cc(Br)cs2)CCOC1 ZINC000054637725 527241711 /nfs/dbraw/zinc/24/17/11/527241711.db2.gz MNZOEQNWGPJUME-SNVBAGLBSA-N 1 0 276.199 2.419 10 0 CEAERO [NH3+]C[C@]1(N2CCc3ccccc3C2)CCCSC1 ZINC000061589905 527243941 /nfs/dbraw/zinc/24/39/41/527243941.db2.gz ZLRLPYVYFRFWHE-OAHLLOKOSA-N 1 0 262.422 2.269 10 0 CEAERO [NH3+]Cc1cc(F)ccc1N1CCC[C@@H]1CCCO ZINC000052761760 527248910 /nfs/dbraw/zinc/24/89/10/527248910.db2.gz DYKUAOBVUCJHHS-CYBMUJFWSA-N 1 0 252.333 2.026 10 0 CEAERO [NH3+]Cc1cccc(Br)c1OCCn1cccn1 ZINC000049313833 527259596 /nfs/dbraw/zinc/25/95/96/527259596.db2.gz OFBVBMFUDYPGHP-UHFFFAOYSA-N 1 0 296.168 2.183 10 0 CEAERO [NH3+]Cc1ccccc1CNC(=O)c1cc(Cl)c[nH]1 ZINC000061840967 527260583 /nfs/dbraw/zinc/26/05/83/527260583.db2.gz RWCNQFREMIWEQV-UHFFFAOYSA-N 1 0 263.728 2.057 10 0 CEAERO NNc1ccc(Cl)c(COC[C@H]2CCCCO2)[nH+]1 ZINC000061639664 527280301 /nfs/dbraw/zinc/28/03/01/527280301.db2.gz IMOLNVQDPQOYRR-SECBINFHSA-N 1 0 271.748 2.106 10 0 CEAERO NNc1[nH+]c(C2(c3ccccc3)CC2)nc2c1CCC2 ZINC000062782167 527285754 /nfs/dbraw/zinc/28/57/54/527285754.db2.gz WQTALPHTSMZZTP-UHFFFAOYSA-N 1 0 266.348 2.331 10 0 CEAERO NNc1[nH+]cc(C(=O)NCCC2CCCC2)cc1Cl ZINC000051091592 527287029 /nfs/dbraw/zinc/28/70/29/527287029.db2.gz UFKZQBYEOVKKJX-UHFFFAOYSA-N 1 0 282.775 2.331 10 0 CEAERO [NH3+][C@@H](c1cnccn1)C1(c2ccccc2)CCOCC1 ZINC000069499932 527338542 /nfs/dbraw/zinc/33/85/42/527338542.db2.gz HJJGZOZTGVKTRI-HNNXBMFYSA-N 1 0 269.348 2.225 10 0 CEAERO [NH3+][C@@H](c1ccccc1)[C@@H](O)C(F)(F)C(F)(F)F ZINC000061857099 527339199 /nfs/dbraw/zinc/33/91/99/527339199.db2.gz FIGKHWYKTICWDJ-JGVFFNPUSA-N 1 0 255.186 2.245 10 0 CEAERO [NH3+][C@@H]1CCCN(c2ccccc2OC2CCOCC2)C1 ZINC000069310942 527348973 /nfs/dbraw/zinc/34/89/73/527348973.db2.gz IFMMFMWYXDPCOB-CYBMUJFWSA-N 1 0 276.380 2.172 10 0 CEAERO Cc1nccn1-c1cc(C(N)=[NH2+])c2ccccc2n1 ZINC000068798093 527368973 /nfs/dbraw/zinc/36/89/73/527368973.db2.gz MLGVFBMRBOYGNB-UHFFFAOYSA-N 1 0 251.293 2.013 10 0 CEAERO [NH3+][C@H]1CCCCC[C@@H]1S(=O)(=O)c1ccccc1 ZINC000061702605 527395288 /nfs/dbraw/zinc/39/52/88/527395288.db2.gz CYPZWKGDOHMZSH-STQMWFEESA-N 1 0 253.367 2.120 10 0 CEAERO [NH3+][C@H]1c2ccccc2C[C@@H]1S(=O)(=O)c1ccccc1 ZINC000061702585 527420832 /nfs/dbraw/zinc/42/08/32/527420832.db2.gz FEZKWDACMCUOKN-GJZGRUSLSA-N 1 0 273.357 2.085 10 0 CEAERO Nc1cc2c(cc1NCCC[NH+]1CCCC1)NC(=O)CC2 ZINC000062070038 527462832 /nfs/dbraw/zinc/46/28/32/527462832.db2.gz MSVRHRHUKVQIHL-UHFFFAOYSA-N 1 0 288.395 2.051 10 0 CEAERO Nc1ccc(Cl)cc1C(=O)NCC[NH+]1CCCCC1 ZINC000049574372 527486501 /nfs/dbraw/zinc/48/65/01/527486501.db2.gz RWPFZUKPXUXGEJ-UHFFFAOYSA-N 1 0 281.787 2.138 10 0 CEAERO OCCC[C@H]1CCC[N@@H+]1Cc1nc2ccccc2[nH]1 ZINC000052763065 527546731 /nfs/dbraw/zinc/54/67/31/527546731.db2.gz VSZSMAMZCVCLAA-GFCCVEGCSA-N 1 0 259.353 2.300 10 0 CEAERO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1cncc(Br)c1 ZINC000183716179 527588863 /nfs/dbraw/zinc/58/88/63/527588863.db2.gz BGVCPNGJNJRQDA-WCQYABFASA-N 1 0 299.212 2.485 10 0 CEAERO OC[C@H]([NH2+]C[C@H]1CCCO1)c1ccc2ncccc2c1 ZINC000069504751 527608757 /nfs/dbraw/zinc/60/87/57/527608757.db2.gz JOFXRCZPDMSJSX-ZBFHGGJFSA-N 1 0 272.348 2.037 10 0 CEAERO FC(F)(F)CO[C@@H]1CCC[C@H]([NH2+]Cc2cnc[nH]2)C1 ZINC000054764944 527671628 /nfs/dbraw/zinc/67/16/28/527671628.db2.gz AFBXCLDYERVFBH-GXSJLCMTSA-N 1 0 277.290 2.389 10 0 CEAERO Cc1nn(C)c(N2CC[C@H](c3ccccc3)C2)c1C[NH3+] ZINC000050600323 527677087 /nfs/dbraw/zinc/67/70/87/527677087.db2.gz OIOAIYZUTNWYAO-AWEZNQCLSA-N 1 0 270.380 2.181 10 0 CEAERO Cc1nn(C)c(Oc2cc(F)cc(F)c2)c1C[NH3+] ZINC000054933438 527680694 /nfs/dbraw/zinc/68/06/94/527680694.db2.gz SPJFIHZOMRPPPM-UHFFFAOYSA-N 1 0 253.252 2.258 10 0 CEAERO CC(C)[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173330059 528966045 /nfs/dbraw/zinc/96/60/45/528966045.db2.gz DUCLCKTWUQWNOR-FRRDWIJNSA-N 1 0 255.406 2.155 10 0 CEAERO CCCCc1nc(CN(C)C[C@@H]2CCC[N@@H+]2CC)no1 ZINC000175356976 529036964 /nfs/dbraw/zinc/03/69/64/529036964.db2.gz ZYHGAJNGVKHYPL-ZDUSSCGKSA-N 1 0 280.416 2.328 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CC[C@H](C)C2)C1 ZINC000177740773 529087955 /nfs/dbraw/zinc/08/79/55/529087955.db2.gz CUCJVDFUFKAKKB-MJBXVCDLSA-N 1 0 252.402 2.413 10 0 CEAERO CCS(=O)(=O)c1ccccc1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000093213810 529173195 /nfs/dbraw/zinc/17/31/95/529173195.db2.gz PUYWWLKZTGAPQN-NEPJUHHUSA-N 1 0 282.409 2.162 10 0 CEAERO CCSCC[C@H](C)NC(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000174237076 529193985 /nfs/dbraw/zinc/19/39/85/529193985.db2.gz QDACUQPYAZPDMT-QWHCGFSZSA-N 1 0 287.473 2.302 10 0 CEAERO CC[C@H]1CN(C(=O)CCC2CCC2)CC[N@@H+]1CCOC ZINC000176756595 529268178 /nfs/dbraw/zinc/26/81/78/529268178.db2.gz CXXHIPVIKZPRAO-HNNXBMFYSA-N 1 0 282.428 2.136 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)CN1CCCc2ccccc21 ZINC000085238963 535291021 /nfs/dbraw/zinc/29/10/21/535291021.db2.gz DSTUFYMGPJDTEF-INIZCTEOSA-N 1 0 262.397 2.188 10 0 CEAERO CC[NH2+][C@H](CO)CCN1CCCc2cc(C)ccc21 ZINC000085216430 535516383 /nfs/dbraw/zinc/51/63/83/535516383.db2.gz BBQPSNAEAYZSLF-HNNXBMFYSA-N 1 0 262.397 2.108 10 0 CEAERO C[NH2+][C@H](C)C(C)(C)CN1CCN(c2ccccc2)CC1 ZINC000091402386 536389247 /nfs/dbraw/zinc/38/92/47/536389247.db2.gz GHOHFPGQAZFRGI-OAHLLOKOSA-N 1 0 275.440 2.443 10 0 CEAERO COC(=O)[C@@H](C)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000093036293 536442495 /nfs/dbraw/zinc/44/24/95/536442495.db2.gz ZUVUDXBQJWMYOM-QWHCGFSZSA-N 1 0 294.370 2.145 10 0 CEAERO COc1ccc(Br)c(N2CC[NH2+][C@H](C)C2)c1 ZINC000083869878 536629890 /nfs/dbraw/zinc/62/98/90/536629890.db2.gz UWHXEFBDGUADDM-SECBINFHSA-N 1 0 285.185 2.256 10 0 CEAERO COc1ccc(Br)cc1N1CC[NH2+]C[C@@H]1C ZINC000083086935 536639200 /nfs/dbraw/zinc/63/92/00/536639200.db2.gz JYKNSTAOLIGMBF-VIFPVBQESA-N 1 0 285.185 2.256 10 0 CEAERO COc1cccc2c1N(C(=O)[C@H]1CCCC[C@H]1[NH3+])CCC2 ZINC000085369551 536958438 /nfs/dbraw/zinc/95/84/38/536958438.db2.gz MJEMVNJSIGRPRA-UONOGXRCSA-N 1 0 288.391 2.492 10 0 CEAERO Cc1ccnc(CN2C[C@H]3CCCC[N@H+]3C[C@@H]2C)c1 ZINC000328170349 538839032 /nfs/dbraw/zinc/83/90/32/538839032.db2.gz KLSZEMQTQJUMOR-GOEBONIOSA-N 1 0 259.397 2.449 10 0 CEAERO CC(C)n1cc([C@H]2C[NH2+]C[C@H]2C(=O)OC(C)(C)C)cn1 ZINC000757188928 574511779 /nfs/dbraw/zinc/51/17/79/574511779.db2.gz LFSCOIIDAAAEBY-CHWSQXEVSA-N 1 0 279.384 2.109 10 0 CEAERO CCOC(=O)CCc1nc(C2([NH3+])CCC(CC)CC2)no1 ZINC000757182728 574511503 /nfs/dbraw/zinc/51/15/03/574511503.db2.gz KSPNFPLDKUKLHS-UHFFFAOYSA-N 1 0 295.383 2.320 10 0 CEAERO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(C)c(Cl)c1 ZINC000757185008 574511624 /nfs/dbraw/zinc/51/16/24/574511624.db2.gz PBAXKPRLDTUYPN-GHMZBOCLSA-N 1 0 253.729 2.124 10 0 CEAERO C[C@H](C(=O)N[C@@]12CC[NH2+][C@H]1CCCC2)C(C)(C)C ZINC000725272017 567925028 /nfs/dbraw/zinc/92/50/28/567925028.db2.gz LRUTWNQZCCLHOA-XUJVJEKNSA-N 1 0 252.402 2.460 10 0 CEAERO Cc1ccc(Br)cc1C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000235353302 625332165 /nfs/dbraw/zinc/33/21/65/625332165.db2.gz KWOSENKNKZISIR-BXKDBHETSA-N 1 0 297.196 2.177 10 0 CEAERO C[C@@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2)C[C@@H]1[NH3+] ZINC000235359248 625342490 /nfs/dbraw/zinc/34/24/90/625342490.db2.gz JXTKZTQPTJUAAF-HQJQHLMTSA-N 1 0 273.163 2.413 10 0 CEAERO CN(C)c1ccc([C@@H]2C[NH2+]C[C@H]2C(=O)OC(C)(C)C)cc1 ZINC000757184749 622957496 /nfs/dbraw/zinc/95/74/96/622957496.db2.gz MYJXKBXDBAHUQH-LSDHHAIUSA-N 1 0 290.407 2.397 10 0 CEAERO Cc1ccnc(N2CC[C@@H]([NH3+])[C@H]2C)c1Br ZINC000261537336 623355726 /nfs/dbraw/zinc/35/57/26/623355726.db2.gz VHYSTTNZVRNCET-RKDXNWHRSA-N 1 0 270.174 2.078 10 0 CEAERO C[C@H]1CN(Cc2cc(-c3ccccc3)on2)C[C@H]1[NH3+] ZINC000261564088 623379371 /nfs/dbraw/zinc/37/93/71/623379371.db2.gz CPKCNQOOCNNBIW-SMDDNHRTSA-N 1 0 257.337 2.121 10 0 CEAERO C[C@@H]([NH3+])CC(=O)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000261859666 623498621 /nfs/dbraw/zinc/49/86/21/623498621.db2.gz OLNJJJLFPTXWLS-BXKDBHETSA-N 1 0 282.771 2.407 10 0 CEAERO CC(C)Oc1cc(NCc2ccc(CC[NH3+])cc2)ncn1 ZINC000090786074 623544568 /nfs/dbraw/zinc/54/45/68/623544568.db2.gz ZXEWXCWQTIFHQN-UHFFFAOYSA-N 1 0 286.379 2.377 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1c1nc([C@@H]2CCCO2)no1 ZINC000089383706 623992943 /nfs/dbraw/zinc/99/29/43/623992943.db2.gz DDIZBBMDCJATAM-AXFHLTTASA-N 1 0 251.330 2.154 10 0 CEAERO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H]1C[C@H]1C ZINC000246888714 624019166 /nfs/dbraw/zinc/01/91/66/624019166.db2.gz DOKOPYZRXNCLJB-FXPVBKGRSA-N 1 0 267.760 2.450 10 0 CEAERO Cc1cc(Br)ccc1NC(=O)C1CC([NH3+])C1 ZINC000258796253 624193156 /nfs/dbraw/zinc/19/31/56/624193156.db2.gz SCBMEFTWLRTCFK-UHFFFAOYSA-N 1 0 283.169 2.433 10 0 CEAERO C[C@@H](O)[C@H](C)[NH2+]Cc1cc(O)ccc1Br ZINC000309065720 624490441 /nfs/dbraw/zinc/49/04/41/624490441.db2.gz ZESCMUJDXCGISB-JGVFFNPUSA-N 1 0 274.158 2.014 10 0 CEAERO Cc1sc2ncnc(N(C)C[C@H](C)[NH3+])c2c1C ZINC000111375804 624515922 /nfs/dbraw/zinc/51/59/22/624515922.db2.gz DZQRFTCXHDPVMH-ZETCQYMHSA-N 1 0 250.371 2.092 10 0 CEAERO CS(=O)(=O)c1ccc(NCCCCCC[NH3+])cc1 ZINC000235044842 624515999 /nfs/dbraw/zinc/51/59/99/624515999.db2.gz YGRORZPZKPTXFU-UHFFFAOYSA-N 1 0 270.398 2.021 10 0 CEAERO Cc1ccc(C(=O)N2CCC[C@H]([NH3+])C2)c(Cl)c1 ZINC000235849146 625771588 /nfs/dbraw/zinc/77/15/88/625771588.db2.gz IIVBHBRHMKQSDL-JTQLQIEISA-N 1 0 252.745 2.212 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(F)c(Cl)c1 ZINC000229584106 627276616 /nfs/dbraw/zinc/27/66/16/627276616.db2.gz DYEXQPJBUMJVHN-PRHODGIISA-N 1 0 270.735 2.349 10 0 CEAERO COC1CC([NH2+]Cc2cc(O)ccc2Br)C1 ZINC000309430142 627358730 /nfs/dbraw/zinc/35/87/30/627358730.db2.gz FZRQEHNJWFAZAH-UHFFFAOYSA-N 1 0 286.169 2.422 10 0 CEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(F)cc1C ZINC000166532545 627640441 /nfs/dbraw/zinc/64/04/41/627640441.db2.gz BKKGWVKMPYMBOP-CHWSQXEVSA-N 1 0 251.301 2.000 10 0 CEAERO CC1=C[C@H](C)C[C@@H](C[NH2+][C@H]2CCCN(CCO)C2)C1 ZINC000395245658 628007579 /nfs/dbraw/zinc/00/75/79/628007579.db2.gz REXPAMLICGHMLK-IMJJTQAJSA-N 1 0 266.429 2.025 10 0 CEAERO CCc1csc([C@@H]2CCC[N@H+](Cn3cnnc3)C2)n1 ZINC000182577590 628163014 /nfs/dbraw/zinc/16/30/14/628163014.db2.gz FASNPSRYTWVQAM-LLVKDONJSA-N 1 0 277.397 2.134 10 0 CEAERO CCc1nc(C)cc(NCc2ccc(CC[NH3+])cc2)n1 ZINC000312439502 628264939 /nfs/dbraw/zinc/26/49/39/628264939.db2.gz AXQYDHQNTHHEIW-UHFFFAOYSA-N 1 0 270.380 2.461 10 0 CEAERO COc1ccc(C)cc1[C@@H](C)NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000312460666 628275032 /nfs/dbraw/zinc/27/50/32/628275032.db2.gz YNMLLWXGDIHQOH-RISCZKNCSA-N 1 0 276.380 2.308 10 0 CEAERO CCS(=O)(=O)c1ccc(N2CCCC[C@@H]2C[NH2+]C)cc1 ZINC000053706662 628512689 /nfs/dbraw/zinc/51/26/89/628512689.db2.gz APFNTTCSWGGCQO-CQSZACIVSA-N 1 0 296.436 2.059 10 0 CEAERO CC[C@H]1CN(Cc2cc(C#CC[NH3+])cs2)C[C@H](CC)O1 ZINC000398374526 628525423 /nfs/dbraw/zinc/52/54/23/628525423.db2.gz KAVFLGTWAAPUEA-GJZGRUSLSA-N 1 0 292.448 2.448 10 0 CEAERO CCCCc1cc(NC(=O)[C@@H]([NH3+])[C@H](C)CC)n[nH]1 ZINC000236887749 628728926 /nfs/dbraw/zinc/72/89/26/628728926.db2.gz XKKABOYJLSOUTN-SKDRFNHKSA-N 1 0 252.362 2.064 10 0 CEAERO Cn1cc(CCC[NH2+][C@@H]2COc3ccccc32)cn1 ZINC000314536443 628766605 /nfs/dbraw/zinc/76/66/05/628766605.db2.gz QDBKDJXXYFRCGF-CQSZACIVSA-N 1 0 257.337 2.076 10 0 CEAERO c1ccc2c(c1)OC[C@@H]2[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000094373268 628836552 /nfs/dbraw/zinc/83/65/52/628836552.db2.gz DFOZEFSTVZKCFT-ZFWWWQNUSA-N 1 0 289.375 2.438 10 0 CEAERO C[NH2+][C@H](C)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000054076336 628847073 /nfs/dbraw/zinc/84/70/73/628847073.db2.gz XFCRVVVTFBRXOH-SECBINFHSA-N 1 0 295.770 2.013 10 0 CEAERO C[C@]1(CN2CCO[C@H]3CCCC[C@H]32)CCC[NH2+]C1 ZINC000250788128 628935734 /nfs/dbraw/zinc/93/57/34/628935734.db2.gz HGALWXJVSFPCNF-ILXRZTDVSA-N 1 0 252.402 2.020 10 0 CEAERO C[C@H](Nc1nnc(C(F)F)s1)[C@H]1CCC[NH2+]C1 ZINC000261546583 628937381 /nfs/dbraw/zinc/93/73/81/628937381.db2.gz HBUCWKXLKKOHEP-BQBZGAKWSA-N 1 0 262.329 2.276 10 0 CEAERO CC[C@H](NC(=O)CC[C@H]1CCC[NH2+]1)c1nccs1 ZINC000261571364 628939234 /nfs/dbraw/zinc/93/92/34/628939234.db2.gz KZEUZKSLGUASAS-MNOVXSKESA-N 1 0 267.398 2.243 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(c3ccnc(C(F)(F)F)c3)C[C@@H]12 ZINC000261577526 628941198 /nfs/dbraw/zinc/94/11/98/628941198.db2.gz CUSDYMNLXFSRAS-FBIMIBRVSA-N 1 0 271.286 2.274 10 0 CEAERO Cc1cccc(NC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000261617842 628948940 /nfs/dbraw/zinc/94/89/40/628948940.db2.gz UHVCKWOLJNIHDL-UBHSHLNASA-N 1 0 259.353 2.196 10 0 CEAERO CCCOc1ccnc(NCCCCCC[NH3+])n1 ZINC000233249908 628952917 /nfs/dbraw/zinc/95/29/17/628952917.db2.gz PBGBIUZJEGFOQN-UHFFFAOYSA-N 1 0 252.362 2.196 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)c1csc(-c2ccc(C)cc2)n1 ZINC000261648476 628958709 /nfs/dbraw/zinc/95/87/09/628958709.db2.gz DUVUOJWOCUTTKA-LLVKDONJSA-N 1 0 289.404 2.456 10 0 CEAERO CCOc1cc(NC[C@H]2[NH2+]CCc3ccccc32)ncn1 ZINC000261694598 629085852 /nfs/dbraw/zinc/08/58/52/629085852.db2.gz NPCTXQYEVGDEJK-CQSZACIVSA-N 1 0 284.363 2.174 10 0 CEAERO COc1ccc2cc(CNC(=O)[C@@H]3C[NH2+]C[C@H]3C)ccc2c1 ZINC000261697881 629096624 /nfs/dbraw/zinc/09/66/24/629096624.db2.gz LHEOXOFEHNBWNC-SJKOYZFVSA-N 1 0 298.386 2.320 10 0 CEAERO O=C(CC[C@H]1CCC[NH2+]1)Nc1ccc2nccnc2c1 ZINC000261719442 629155057 /nfs/dbraw/zinc/15/50/57/629155057.db2.gz KCNFAGDPIGNHRB-LLVKDONJSA-N 1 0 270.336 2.101 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)c1cccc(OCC(C)C)c1 ZINC000261865038 629287816 /nfs/dbraw/zinc/28/78/16/629287816.db2.gz YWJUDSRJWBQQPA-GFCCVEGCSA-N 1 0 264.369 2.059 10 0 CEAERO CCOc1ccc(CN2C[C@H](C)[C@H]([NH3+])C2)cc1F ZINC000261967352 629402561 /nfs/dbraw/zinc/40/25/61/629402561.db2.gz HXNYSXVDIXDRLT-GXFFZTMASA-N 1 0 252.333 2.003 10 0 CEAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000097604809 630462704 /nfs/dbraw/zinc/46/27/04/630462704.db2.gz OMASEXGPDSUUGS-ZWNOBZJWSA-N 1 0 279.771 2.238 10 0 CEAERO Fc1cc(F)cc(Cc2noc(C[C@@H]3CCC[NH2+]C3)n2)c1 ZINC000054301533 631143386 /nfs/dbraw/zinc/14/33/86/631143386.db2.gz WHMLTAIEBDVUBD-JTQLQIEISA-N 1 0 293.317 2.481 10 0 CEAERO C[NH2+]CCC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000049844428 631180706 /nfs/dbraw/zinc/18/07/06/631180706.db2.gz CMISLGYGXCLNHJ-SECBINFHSA-N 1 0 285.185 2.236 10 0 CEAERO Cc1ccc(Br)c2c1NC(=O)C[C@@H]2C[NH3+] ZINC000757175587 631829030 /nfs/dbraw/zinc/82/90/30/631829030.db2.gz LSPYRPJHLASYAZ-SSDOTTSWSA-N 1 0 269.142 2.142 10 0 CEAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(Cl)s1 ZINC000757185967 631830253 /nfs/dbraw/zinc/83/02/53/631830253.db2.gz CKZHDQSKPLASLE-SFYZADRCSA-N 1 0 259.758 2.268 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCCCCCCC(C)C)C1 ZINC000040830430 632354483 /nfs/dbraw/zinc/35/44/83/632354483.db2.gz OAIFWAOBYIYRER-ZIAGYGMSSA-N 1 0 270.417 2.086 10 0 CEAERO CCc1nc[nH]c1C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000905420957 636268464 /nfs/dbraw/zinc/26/84/64/636268464.db2.gz ZSQZEHVQMMIQJR-AWEZNQCLSA-N 1 0 286.379 2.005 10 0 CEAERO Cc1cc2ccccc2n1CC(=O)N[C@H]1C[NH+]2CCC1CC2 ZINC000222576955 639384487 /nfs/dbraw/zinc/38/44/87/639384487.db2.gz LEJBMJPITRCXMP-INIZCTEOSA-N 1 0 297.402 2.160 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cnc(Cl)c(C)c1 ZINC000226354471 639538489 /nfs/dbraw/zinc/53/84/89/639538489.db2.gz XETIEHTZMOZPRD-OIBJUYFYSA-N 1 0 255.749 2.355 10 0 CEAERO OCCC[C@@H]1CCC[N@@H+]1CC[C@@H](O)c1ccccc1 ZINC000226819215 639565154 /nfs/dbraw/zinc/56/51/54/639565154.db2.gz VVMFBPOAOGNMJF-JKSUJKDBSA-N 1 0 263.381 2.347 10 0 CEAERO CO[C@@H](c1noc(-c2ccc(C[NH3+])cc2)n1)C1CC1 ZINC000227333308 639585133 /nfs/dbraw/zinc/58/51/33/639585133.db2.gz UJGIBSGJDCZPEB-GFCCVEGCSA-N 1 0 259.309 2.293 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)/C=C\c1cccs1 ZINC000228131002 639619693 /nfs/dbraw/zinc/61/96/93/639619693.db2.gz LGMCGZDDWNVQLH-UJYRLZNBSA-N 1 0 250.367 2.005 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)Nc1nc(Cl)nc2nc[nH]c21 ZINC000228600308 639646856 /nfs/dbraw/zinc/64/68/56/639646856.db2.gz JEKGSFGNXRFOFO-SECBINFHSA-N 1 0 296.806 2.395 10 0 CEAERO CCCOc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000104224069 639712672 /nfs/dbraw/zinc/71/26/72/639712672.db2.gz IXHGNXJSLCLYME-BXUZGUMPSA-N 1 0 262.353 2.269 10 0 CEAERO CCc1noc([C@@H](C)N2CC[NH+](C[Si](C)(C)C)CC2)n1 ZINC000171746341 639729381 /nfs/dbraw/zinc/72/93/81/639729381.db2.gz IRSUKXBCYFEJAX-GFCCVEGCSA-N 1 0 296.491 2.188 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+]CC2CC2)C1 ZINC000230168068 639742722 /nfs/dbraw/zinc/74/27/22/639742722.db2.gz DGYVWBVDBLEGNK-LBPRGKRZSA-N 1 0 254.374 2.243 10 0 CEAERO CC(C)(C)c1nn(CN2CC[N@@H+]3CCC[C@@H]3C2)c(=S)o1 ZINC000172502809 639770116 /nfs/dbraw/zinc/77/01/16/639770116.db2.gz ATZQYEHPSWKVON-LLVKDONJSA-N 1 0 296.440 2.241 10 0 CEAERO Cc1cnc([C@@H](C)NC(=O)CCCCCC[NH3+])o1 ZINC000231743805 639876523 /nfs/dbraw/zinc/87/65/23/639876523.db2.gz WIBNKZXRZOAOPV-LLVKDONJSA-N 1 0 253.346 2.069 10 0 CEAERO [NH3+][C@@H]1CC[C@H](c2nc(-c3ccc(O)c(F)c3)no2)C1 ZINC000232349345 639914997 /nfs/dbraw/zinc/91/49/97/639914997.db2.gz BESVBKBSEMRMIW-DTWKUNHWSA-N 1 0 263.272 2.176 10 0 CEAERO CC(C)Oc1cncc(NCCCCCC[NH3+])n1 ZINC000232709720 639996747 /nfs/dbraw/zinc/99/67/47/639996747.db2.gz GJRYHPLAWZXRND-UHFFFAOYSA-N 1 0 252.362 2.195 10 0 CEAERO COCC1(c2noc([C@H]3CC[C@@H]([NH3+])C3)n2)CCCC1 ZINC000312943889 640169302 /nfs/dbraw/zinc/16/93/02/640169302.db2.gz HLDRLSHCOFOXBT-WDEREUQCSA-N 1 0 265.357 2.123 10 0 CEAERO Cc1cccc(-c2noc([C@@H]3CCC[C@H]3C[NH3+])n2)n1 ZINC000089431307 640431269 /nfs/dbraw/zinc/43/12/69/640431269.db2.gz ZBRXUKDJELKIAK-WDEREUQCSA-N 1 0 258.325 2.282 10 0 CEAERO COC(=O)C[C@@H]([NH3+])c1csc(Br)c1 ZINC000238336668 641471420 /nfs/dbraw/zinc/47/14/20/641471420.db2.gz IUNQPFLHGGAXSV-ZCFIWIBFSA-N 1 0 264.144 2.074 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1nc(Cl)cs1 ZINC000251717254 641569321 /nfs/dbraw/zinc/56/93/21/641569321.db2.gz JSWBSYJLTBWSBI-IUCAKERBSA-N 1 0 257.790 2.469 10 0 CEAERO C[C@H]1CN(c2cccc(Br)n2)C[C@@H]1[NH+](C)C ZINC000124749174 649731744 /nfs/dbraw/zinc/73/17/44/649731744.db2.gz QCKIPSDTSHFYEH-UWVGGRQHSA-N 1 0 284.201 2.230 10 0 CEAERO CCN(CC)c1ccc(N[C@H]2CCC[NH2+]CC2)cn1 ZINC000129017263 651728986 /nfs/dbraw/zinc/72/89/86/651728986.db2.gz XNAHFVFWXATXKG-ZDUSSCGKSA-N 1 0 262.401 2.482 10 0 CEAERO CC(C)(C)OC(=O)NC1CC([NH2+]CC[C@@H]2CCCO2)C1 ZINC000131736432 652459153 /nfs/dbraw/zinc/45/91/53/652459153.db2.gz MVWDHLQNVOQWMA-BPCQOVAHSA-N 1 0 284.400 2.201 10 0 CEAERO O=C(NC[C@H]1CC[NH2+]C1)Nc1cccc(C(F)(F)F)c1 ZINC000131863610 652474495 /nfs/dbraw/zinc/47/44/95/652474495.db2.gz LINLJAJBPKJAGI-VIFPVBQESA-N 1 0 287.285 2.436 10 0 CEAERO O=C(NC[C@@H]1CC[NH2+]C1)c1cccc(Cl)c1Cl ZINC000133616872 652692802 /nfs/dbraw/zinc/69/28/02/652692802.db2.gz UBKLPJGRNFWKIO-MRVPVSSYSA-N 1 0 273.163 2.333 10 0 CEAERO Clc1ccc(/C=C/C[N+]23CCN(CC2)CC3)cc1 ZINC000188631414 717157647 /nfs/dbraw/zinc/15/76/47/717157647.db2.gz SZFUWDANKYKRSF-OWOJBTEDSA-N 1 0 263.792 2.499 10 0 CEAERO O=[N+]([O-])c1ccnc(N2CC[NH+](C3CCCC3)CC2)c1 ZINC000058213327 721852736 /nfs/dbraw/zinc/85/27/36/721852736.db2.gz VUMGKGCKGGGQOM-UHFFFAOYSA-N 1 0 276.340 2.054 10 0 CEAERO C[NH2+][C@H]1CCC[C@@H]1[S@](=O)Cc1cccc(C)c1 ZINC000081996481 177916114 /nfs/dbraw/zinc/91/61/14/177916114.db2.gz UJLIZCKOHJOJIM-ZQIUZPCESA-N 1 0 251.395 2.384 10 0 CEAERO C[NH2+][C@H](C[S@@](=O)CCCOC)c1cc(C)ccc1C ZINC000081999411 177917051 /nfs/dbraw/zinc/91/70/51/177917051.db2.gz FRFSQTUBFXKEKZ-DNVCBOLYSA-N 1 0 283.437 2.349 10 0 CEAERO C[C@@H]1CC(F)(F)CCN1C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000638630428 370644528 /nfs/dbraw/zinc/64/45/28/370644528.db2.gz MJVGVNGIZONEGR-ZYHUDNBSSA-N 1 0 260.328 2.165 10 0 CEAERO CCc1nc(-c2cnccn2)sc1C[NH2+]C1CC1 ZINC000082426234 178001306 /nfs/dbraw/zinc/00/13/06/178001306.db2.gz LSTIHZVDSKXORC-UHFFFAOYSA-N 1 0 260.366 2.415 10 0 CEAERO COCc1nc(-c2cccc(OC)c2)sc1C[NH3+] ZINC000082446390 178024094 /nfs/dbraw/zinc/02/40/94/178024094.db2.gz ZJCFSXPEQVTANF-UHFFFAOYSA-N 1 0 264.350 2.424 10 0 CEAERO [NH3+]Cc1cccc(OC2CC2)c1I ZINC000095738081 185024271 /nfs/dbraw/zinc/02/42/71/185024271.db2.gz ZLIAQDMYABRCSV-UHFFFAOYSA-N 1 0 289.116 2.291 10 0 CEAERO [NH3+]CCc1cc(C(F)(F)F)cc(Br)n1 ZINC000095767611 185027339 /nfs/dbraw/zinc/02/73/39/185027339.db2.gz OJYLRANXMAWVNF-UHFFFAOYSA-N 1 0 269.064 2.364 10 0 CEAERO COC(=O)C[C@H]([NH3+])c1ccc(C)c(Br)c1 ZINC000095764586 185027470 /nfs/dbraw/zinc/02/74/70/185027470.db2.gz OGLVFDAJTRJFSV-JTQLQIEISA-N 1 0 272.142 2.320 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1ccncn1)C(F)(F)F ZINC000082535221 178089309 /nfs/dbraw/zinc/08/93/09/178089309.db2.gz UWOPQFRHPSCVAR-XPUUQOCRSA-N 1 0 251.277 2.237 10 0 CEAERO NC(=[NH2+])c1nn(Cc2ccccc2)c2ccccc21 ZINC000095774415 185028090 /nfs/dbraw/zinc/02/80/90/185028090.db2.gz CTUOMVOHKYLGRC-UHFFFAOYSA-N 1 0 250.305 2.369 10 0 CEAERO COCC[N@@H+]1CCN(Cc2ccc3ccccc3n2)C[C@@H]1C ZINC000124599138 187145542 /nfs/dbraw/zinc/14/55/42/187145542.db2.gz ZLEMKUCDAGSIBC-HNNXBMFYSA-N 1 0 299.418 2.387 10 0 CEAERO C[C@@H]1C[C@H]1CN(C)Cc1[nH+]c(NN)ccc1Cl ZINC000082650044 178141789 /nfs/dbraw/zinc/14/17/89/178141789.db2.gz JBENRDNEFCKQCR-BDAKNGLRSA-N 1 0 254.765 2.108 10 0 CEAERO C[NH+](C)CCCCNC(=O)C(C)(C)c1ccc(N)cc1 ZINC000082698225 178198034 /nfs/dbraw/zinc/19/80/34/178198034.db2.gz ABUWALBUQITASV-UHFFFAOYSA-N 1 0 277.412 2.004 10 0 CEAERO CN1c2ccc([C@H]([NH3+])c3cccc(F)c3)cc2CC1=O ZINC000034940654 361799225 /nfs/dbraw/zinc/79/92/25/361799225.db2.gz LCLWRKFSZNPHMV-MRXNPFEDSA-N 1 0 270.307 2.393 10 0 CEAERO Cn1cc([C@@H]([NH3+])Cc2ccc(Br)cc2)cn1 ZINC000034957671 361800209 /nfs/dbraw/zinc/80/02/09/361800209.db2.gz KCBNZBJQUOBHSV-LBPRGKRZSA-N 1 0 280.169 2.425 10 0 CEAERO NC(=[NH2+])c1ccccc1OCCCc1ccncc1 ZINC000034958567 361800499 /nfs/dbraw/zinc/80/04/99/361800499.db2.gz DQAJPDGWMVNCGA-UHFFFAOYSA-N 1 0 255.321 2.377 10 0 CEAERO COc1ccc(CN2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC000082728995 178245352 /nfs/dbraw/zinc/24/53/52/178245352.db2.gz VBGCYWBAEZHRIR-GDBMZVCRSA-N 1 0 260.381 2.269 10 0 CEAERO CC[N@@H+]1CCC[C@H](NCc2ccn(-c3ccccc3)n2)C1 ZINC000124901267 187160260 /nfs/dbraw/zinc/16/02/60/187160260.db2.gz HOLJDDFXSTWZQL-INIZCTEOSA-N 1 0 284.407 2.446 10 0 CEAERO CCC(CC)(C[NH2+]C[C@@](C)(O)c1ccccc1)C(=O)OC ZINC000192701399 282118737 /nfs/dbraw/zinc/11/87/37/282118737.db2.gz XLUSFHBEROENTI-MRXNPFEDSA-N 1 0 293.407 2.463 10 0 CEAERO CNc1c(Cl)ncnc1N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000125067910 187168508 /nfs/dbraw/zinc/16/85/08/187168508.db2.gz ZKBIECMTULOLOU-UWVGGRQHSA-N 1 0 283.807 2.312 10 0 CEAERO C[C@H]([NH3+])C[C@H](C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000082798375 178301156 /nfs/dbraw/zinc/30/11/56/178301156.db2.gz VNQRTRGABAUACH-IUCAKERBSA-N 1 0 261.774 2.240 10 0 CEAERO C[NH+](C)C[C@@H]1CN(C(=O)CC2CCCCCC2)CCO1 ZINC000176608419 282122869 /nfs/dbraw/zinc/12/28/69/282122869.db2.gz QCHGCNNCBYZORC-OAHLLOKOSA-N 1 0 282.428 2.136 10 0 CEAERO CO[C@@H]1CC[N@H+](Cc2ccncc2)[C@H]1Cc1ccncc1 ZINC000096092723 185094660 /nfs/dbraw/zinc/09/46/60/185094660.db2.gz GKWIADRUMRSBRN-DLBZAZTESA-N 1 0 283.375 2.309 10 0 CEAERO C[C@H]([NH3+])[C@H](CO)Sc1cccc(Br)c1 ZINC000082988171 178332584 /nfs/dbraw/zinc/33/25/84/178332584.db2.gz SPUBOHSHPXKUMP-XVKPBYJWSA-N 1 0 276.199 2.249 10 0 CEAERO COc1ccc2oc(C[NH2+][C@H]3CCc4ncnn4C3)cc2c1 ZINC000125140768 187171941 /nfs/dbraw/zinc/17/19/41/187171941.db2.gz VQVNUMNLKMUVEK-LBPRGKRZSA-N 1 0 298.346 2.138 10 0 CEAERO C[C@@]([NH3+])(CO)CSc1ccccc1Br ZINC000082904644 178329619 /nfs/dbraw/zinc/32/96/19/178329619.db2.gz CGNZUDALAJDLPT-SNVBAGLBSA-N 1 0 276.199 2.251 10 0 CEAERO C[C@@H](C[C@@](C)(O)C[NH3+])Sc1ncccc1Cl ZINC000082917647 178329930 /nfs/dbraw/zinc/32/99/30/178329930.db2.gz FKMHKRGVOWSBFY-GZMMTYOYSA-N 1 0 260.790 2.315 10 0 CEAERO Cc1ccc(CNC(=O)[C@H]([NH3+])C(C)(C)C)cc1F ZINC000083393200 178401573 /nfs/dbraw/zinc/40/15/73/178401573.db2.gz DDJQMZGITKXOJC-LBPRGKRZSA-N 1 0 252.333 2.124 10 0 CEAERO CCCN[C@@H](CC[N@H+](C)C(C)(C)CC)C(=O)OCC ZINC000083402627 178413511 /nfs/dbraw/zinc/41/35/11/178413511.db2.gz IIZBAYVAIOVQHG-ZDUSSCGKSA-N 1 0 272.433 2.428 10 0 CEAERO CSC[C@@H](C)CNC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000083410746 178418498 /nfs/dbraw/zinc/41/84/98/178418498.db2.gz CSBRFPQDCJWUHO-RYUDHWBXSA-N 1 0 258.431 2.024 10 0 CEAERO Cc1ccc2n1CCN(C(=O)[C@H]1CCCC[C@@H]1[NH3+])[C@@H]2C ZINC000096837817 185116622 /nfs/dbraw/zinc/11/66/22/185116622.db2.gz WXBVFZNTDJJGRY-RDBSUJKOSA-N 1 0 275.396 2.217 10 0 CEAERO CC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000162442663 529378313 /nfs/dbraw/zinc/37/83/13/529378313.db2.gz UAZWJSFQEZFTHD-WFASDCNBSA-N 1 0 274.368 2.079 10 0 CEAERO COCCC[N@@H+](Cc1ccc(C)s1)C[C@H](C)O ZINC000036101442 361829626 /nfs/dbraw/zinc/82/96/26/361829626.db2.gz GXUDTQPMQVMSNX-NSHDSACASA-N 1 0 257.399 2.276 10 0 CEAERO CCc1cc(OC)c(C(=O)[C@@H](C)[NH2+]C)cc1OC ZINC000096890204 185123827 /nfs/dbraw/zinc/12/38/27/185123827.db2.gz KSEARJQUDMNWDG-SECBINFHSA-N 1 0 251.326 2.057 10 0 CEAERO C[NH2+]CC[C@@H](O)c1cc(OC)c(Cl)cc1OC ZINC000096889985 185123861 /nfs/dbraw/zinc/12/38/61/185123861.db2.gz RFJKTEHYXXGLLL-SNVBAGLBSA-N 1 0 259.733 2.000 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@H]([NH3+])CC[C@@H]2C1 ZINC000096897184 185125060 /nfs/dbraw/zinc/12/50/60/185125060.db2.gz ZJOCZWZSGVQGDF-UTUOFQBUSA-N 1 0 254.374 2.371 10 0 CEAERO c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2COCCN2)cc1 ZINC000096949586 185138642 /nfs/dbraw/zinc/13/86/42/185138642.db2.gz MDTCHOXJZCOIBF-JKSUJKDBSA-N 1 0 260.381 2.030 10 0 CEAERO COc1cccc(C[NH2+][C@@H]2CCC[C@@H](O)C2)c1OC ZINC000037165279 361902309 /nfs/dbraw/zinc/90/23/09/361902309.db2.gz RBLVBTPEBPJFOW-CHWSQXEVSA-N 1 0 265.353 2.097 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@@H]2CC[NH2+]CC[C@H]21 ZINC000096958437 185141529 /nfs/dbraw/zinc/14/15/29/185141529.db2.gz PAJKLNCLHRRDRV-VXGBXAGGSA-N 1 0 254.374 2.386 10 0 CEAERO Cc1ccc2n1CCN(C(=O)C1CCC(C[NH3+])CC1)[C@@H]2C ZINC000097031637 185154609 /nfs/dbraw/zinc/15/46/09/185154609.db2.gz GVNNKNSFTSZQOJ-WLYUNCDWSA-N 1 0 289.423 2.465 10 0 CEAERO C[C@@]1(CNC(=O)C2CCC(C[NH3+])CC2)CCCS1 ZINC000097031770 185154684 /nfs/dbraw/zinc/15/46/84/185154684.db2.gz HYPVZQWKVIKAKV-YIZWMMSDSA-N 1 0 270.442 2.153 10 0 CEAERO CC[C@H](C)[NH2+]CC1=CC2=CC=C[C@H]3CCN(C1=O)[C@H]23 ZINC000039287397 361987574 /nfs/dbraw/zinc/98/75/74/361987574.db2.gz LWOHGWJFLOUWPI-HUBLWGQQSA-N 1 0 258.365 2.028 10 0 CEAERO COc1ccc(CSc2nnc(CCC[NH3+])o2)cc1 ZINC000040173802 361991128 /nfs/dbraw/zinc/99/11/28/361991128.db2.gz QIWWBGPEBGHXDF-UHFFFAOYSA-N 1 0 279.365 2.262 10 0 CEAERO C[C@H](C(=O)NCC[C@H]1CCCO1)[C@@H]([NH3+])c1ccccc1 ZINC000226826504 539208796 /nfs/dbraw/zinc/20/87/96/539208796.db2.gz XRYWMEZXIKJNMO-NWANDNLSSA-N 1 0 276.380 2.008 10 0 CEAERO CC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C[C@H]1F ZINC000725261867 539209784 /nfs/dbraw/zinc/20/97/84/539209784.db2.gz LJRKWSIUGKWXRT-MNOVXSKESA-N 1 0 260.353 2.334 10 0 CEAERO CC(C)(C)NC(=O)N1CC[C@@H]([NH3+])[C@@H](C(F)(F)F)CC1 ZINC000725262909 539211910 /nfs/dbraw/zinc/21/19/10/539211910.db2.gz RRXNSAQXUXXPEX-DTWKUNHWSA-N 1 0 281.322 2.096 10 0 CEAERO CC(C)(C)NC(=O)N[C@H]1CC[NH2+]CC[C@@H]1C(F)(F)F ZINC000725262955 539211994 /nfs/dbraw/zinc/21/19/94/539211994.db2.gz WNOTUXMXFYUUFB-IUCAKERBSA-N 1 0 281.322 2.015 10 0 CEAERO CC1(C(=O)N2CCC[C@H]([C@@]34CC[C@H]3CC[NH2+]4)C2)CC1 ZINC000725263662 539212401 /nfs/dbraw/zinc/21/24/01/539212401.db2.gz YZMVFKTXFNHJJI-HEHGZKQESA-N 1 0 262.397 2.167 10 0 CEAERO CC[C@@H](C)[N@H+](C)C[C@H](O)CN(C)Cc1ccccc1 ZINC000305259870 539222400 /nfs/dbraw/zinc/22/24/00/539222400.db2.gz XMTDGABVECRJGV-GDBMZVCRSA-N 1 0 264.413 2.210 10 0 CEAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCC[C@H]2c2ccc[nH]2)C1 ZINC000341627586 282204545 /nfs/dbraw/zinc/20/45/45/282204545.db2.gz YWWGSSGUWMNJAP-NFAWXSAZSA-N 1 0 290.411 2.344 10 0 CEAERO [NH3+][C@H]1CCC[S@](=O)c2ccc(Br)cc21 ZINC000040976803 362010580 /nfs/dbraw/zinc/01/05/80/362010580.db2.gz UOJJSRUFIXRPLF-LKFCYVNXSA-N 1 0 274.183 2.350 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000041663364 362046248 /nfs/dbraw/zinc/04/62/48/362046248.db2.gz ABVWMMYAJKVPIH-OAHLLOKOSA-N 1 0 289.379 2.495 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1cccc(Br)c1)N(C)C ZINC000043020105 362133186 /nfs/dbraw/zinc/13/31/86/362133186.db2.gz CHCRBTGMIAWACB-LDYMZIIASA-N 1 0 257.175 2.399 10 0 CEAERO COc1ccc(CNc2cc(N)cc[nH+]2)cc1OC ZINC000043568932 362146323 /nfs/dbraw/zinc/14/63/23/362146323.db2.gz FBJPRLULKPAVGA-UHFFFAOYSA-N 1 0 259.309 2.293 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)N[C@H]2CCC23CCCC3)C1 ZINC000336123191 282262101 /nfs/dbraw/zinc/26/21/01/282262101.db2.gz RPPOJLWVZSICOQ-STQMWFEESA-N 1 0 265.401 2.055 10 0 CEAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2cnc3ccccc3n2)C1 ZINC000037321178 343426388 /nfs/dbraw/zinc/42/63/88/343426388.db2.gz QVMLZTRBKYDSCN-DGCLKSJQSA-N 1 0 257.337 2.023 10 0 CEAERO O=C1CCC([NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000039043571 343435491 /nfs/dbraw/zinc/43/54/91/343435491.db2.gz HTDYKTPSSROCJE-UHFFFAOYSA-N 1 0 258.365 2.320 10 0 CEAERO C[C@H]([NH3+])[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000127308714 365741876 /nfs/dbraw/zinc/74/18/76/365741876.db2.gz UPTIMINVGPPGMO-DTWKUNHWSA-N 1 0 259.275 2.274 10 0 CEAERO COc1ccc(CC(=O)NCCCC[NH+]2CCCC2)cc1 ZINC000044456359 343472193 /nfs/dbraw/zinc/47/21/93/343472193.db2.gz PVCDQPFRJDKADR-UHFFFAOYSA-N 1 0 290.407 2.230 10 0 CEAERO CC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CN(C)CCO2)CC1 ZINC000252546589 539321278 /nfs/dbraw/zinc/32/12/78/539321278.db2.gz KRADEAZULKTDEI-ILXRZTDVSA-N 1 0 254.418 2.266 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2[C@H](C)CC[C@@H]2C)C1 ZINC000128075580 365774026 /nfs/dbraw/zinc/77/40/26/365774026.db2.gz DTUJKXRJCZACAO-FRRDWIJNSA-N 1 0 253.390 2.053 10 0 CEAERO C[C@H](CNC(=O)C[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000054308859 343587266 /nfs/dbraw/zinc/58/72/66/343587266.db2.gz RDKZBSIEVNXPLC-KGLIPLIRSA-N 1 0 260.381 2.296 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)NCCCc1ccccc1 ZINC000054291022 343587269 /nfs/dbraw/zinc/58/72/69/343587269.db2.gz BYGGWYPMHPFIFA-HNNXBMFYSA-N 1 0 260.381 2.125 10 0 CEAERO Cc1cccc(OCCN(C)C(=O)C[C@@H]2CCC[NH2+]C2)c1 ZINC000054308059 343587432 /nfs/dbraw/zinc/58/74/32/343587432.db2.gz HHZOBAIHOIAAEV-HNNXBMFYSA-N 1 0 290.407 2.222 10 0 CEAERO CS[C@@H]1CCC[C@H](NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000601971744 346947248 /nfs/dbraw/zinc/94/72/48/346947248.db2.gz DZTSCAONCRDGBQ-XPCVCDNBSA-N 1 0 282.453 2.167 10 0 CEAERO CN(C)c1ccccc1C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000173362680 529794116 /nfs/dbraw/zinc/79/41/16/529794116.db2.gz PVGCJCIALSLSJY-OAHLLOKOSA-N 1 0 299.422 2.256 10 0 CEAERO C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000295077459 199333355 /nfs/dbraw/zinc/33/33/55/199333355.db2.gz RQHREOKMIUXUNX-BBRMVZONSA-N 1 0 271.364 2.218 10 0 CEAERO C[C@H](Cc1cccs1)[NH2+]C[C@H](O)COCc1ccco1 ZINC000071270604 343800853 /nfs/dbraw/zinc/80/08/53/343800853.db2.gz ZJUFKOQYGOQNQG-OLZOCXBDSA-N 1 0 295.404 2.439 10 0 CEAERO CC(C)[C@@H](C)C[NH2+]C[C@@H](O)COCc1ccco1 ZINC000081058598 344038505 /nfs/dbraw/zinc/03/85/05/344038505.db2.gz ASGYODYYJCURDD-QWHCGFSZSA-N 1 0 255.358 2.039 10 0 CEAERO C[NH+](C)C[C@H]1CN(Cc2ccc(F)cc2Cl)CCO1 ZINC000128160050 187354376 /nfs/dbraw/zinc/35/43/76/187354376.db2.gz UZVJSBDPWBNWCS-ZDUSSCGKSA-N 1 0 286.778 2.242 10 0 CEAERO CC1(C[NH2+]C[C@@H](O)COCc2ccco2)CCCC1 ZINC000111621402 344271293 /nfs/dbraw/zinc/27/12/93/344271293.db2.gz HKBPFUCREAVTKW-CYBMUJFWSA-N 1 0 267.369 2.327 10 0 CEAERO FC(F)(F)c1cccc(C#CCN2CCC[NH2+]CC2)c1 ZINC000118231083 344290988 /nfs/dbraw/zinc/29/09/88/344290988.db2.gz KZVRBQOKXKEEQJ-UHFFFAOYSA-N 1 0 282.309 2.352 10 0 CEAERO CC1(CNc2ncnc3ccccc32)CC[NH2+]CC1 ZINC000129431710 344343806 /nfs/dbraw/zinc/34/38/06/344343806.db2.gz QUJOZEZGBCGEED-UHFFFAOYSA-N 1 0 256.353 2.431 10 0 CEAERO CC(C)CCC[C@H](C)NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129700422 344346123 /nfs/dbraw/zinc/34/61/23/344346123.db2.gz SUUHOVICYJRLCN-AWEZNQCLSA-N 1 0 283.460 2.001 10 0 CEAERO CSCCCCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000153643702 344430377 /nfs/dbraw/zinc/43/03/77/344430377.db2.gz BUPJSOFCTAVOPM-QWHCGFSZSA-N 1 0 285.457 2.008 10 0 CEAERO C[C@@H]([NH3+])Cc1nc2cccc(Br)c2o1 ZINC000133968706 344371389 /nfs/dbraw/zinc/37/13/89/344371389.db2.gz QPEAXAWYQJUXKP-ZCFIWIBFSA-N 1 0 255.115 2.480 10 0 CEAERO CCN1CCO[C@H](C[NH2+]Cc2ccc(C)c(C)c2)C1 ZINC000134437257 344374293 /nfs/dbraw/zinc/37/42/93/344374293.db2.gz UQDFRWAZSUZXGB-MRXNPFEDSA-N 1 0 262.397 2.114 10 0 CEAERO CCOC(=O)c1ccc(NC(=O)[C@@]2(C)CCCC[NH2+]2)cc1 ZINC000136130518 344384256 /nfs/dbraw/zinc/38/42/56/344384256.db2.gz XAZOGGILUYSRJZ-MRXNPFEDSA-N 1 0 290.363 2.334 10 0 CEAERO O=C1OCc2ccc(F)cc2N1C1CC[NH2+]CC1 ZINC000136527024 344385083 /nfs/dbraw/zinc/38/50/83/344385083.db2.gz PNWCRHPBZXISGC-UHFFFAOYSA-N 1 0 250.273 2.034 10 0 CEAERO Cc1cc(N2CC[NH2+]CC2)n(-c2ccc(Cl)cc2)n1 ZINC000138428142 344389952 /nfs/dbraw/zinc/38/99/52/344389952.db2.gz UEUTWAPSWKPQDY-UHFFFAOYSA-N 1 0 276.771 2.244 10 0 CEAERO Cn1c2ccccc2nc1-c1ccnc(N2CC[NH2+]CC2)c1 ZINC000141985731 344402092 /nfs/dbraw/zinc/40/20/92/344402092.db2.gz NEIWGTJVQXLSKO-UHFFFAOYSA-N 1 0 293.374 2.045 10 0 CEAERO [NH3+]C[C@@H](F)Cc1cc(F)cc(Br)c1 ZINC000158058118 344449536 /nfs/dbraw/zinc/44/95/36/344449536.db2.gz AJFLUMCBJXQDDZ-VIFPVBQESA-N 1 0 250.086 2.428 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1Oc1ccncc1Br ZINC000159993774 344457034 /nfs/dbraw/zinc/45/70/34/344457034.db2.gz CGPMQDXGVORJEN-WCBMZHEXSA-N 1 0 257.131 2.103 10 0 CEAERO C[C@H](C[NH3+])Sc1ccc(N)cc1Br ZINC000160255434 344458444 /nfs/dbraw/zinc/45/84/44/344458444.db2.gz HUHXABLGJCPLEZ-ZCFIWIBFSA-N 1 0 261.188 2.471 10 0 CEAERO [NH3+][C@@H]1CSC[C@@H]1Cc1cncc(Br)c1 ZINC000160732749 344461181 /nfs/dbraw/zinc/46/11/81/344461181.db2.gz JQCGIPJOVNKJBA-WCBMZHEXSA-N 1 0 273.199 2.077 10 0 CEAERO C[NH2+][C@@H]1COc2c1cc(OC)cc2Br ZINC000163000597 344469580 /nfs/dbraw/zinc/46/95/80/344469580.db2.gz KQUACKHKVCJEPG-SECBINFHSA-N 1 0 258.115 2.111 10 0 CEAERO O=C(NC[C@H]1CC[NH2+]C1)c1cc2cc(Cl)ccc2[nH]1 ZINC000167864228 344479721 /nfs/dbraw/zinc/47/97/21/344479721.db2.gz BARZOGIWSIHLMW-VIFPVBQESA-N 1 0 277.755 2.161 10 0 CEAERO [NH3+][C@H](CNc1nc(Br)cs1)C1CC1 ZINC000168239376 344479799 /nfs/dbraw/zinc/47/97/99/344479799.db2.gz ZGEQEMIKANIAQN-ZCFIWIBFSA-N 1 0 262.176 2.055 10 0 CEAERO Cc1cc(Cl)ccc1OCC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170863480 344491643 /nfs/dbraw/zinc/49/16/43/344491643.db2.gz FNTAQCDWQMEHRT-CYBMUJFWSA-N 1 0 296.798 2.190 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@]2(C)CCCc3ccccc32)C1 ZINC000170868204 344491653 /nfs/dbraw/zinc/49/16/53/344491653.db2.gz ZKZGGVDAHBDZPL-CRAIPNDOSA-N 1 0 286.419 2.443 10 0 CEAERO C[C@H]1CC[NH2+]C[C@H]1Oc1nc(Br)cs1 ZINC000230205863 344571558 /nfs/dbraw/zinc/57/15/58/344571558.db2.gz LSTLNWFPQJXJTR-NKWVEPMBSA-N 1 0 277.187 2.282 10 0 CEAERO Cc1c(C[NH2+][C@@H]2CCc3cc(N)ccc32)cnn1C ZINC000226310230 344549092 /nfs/dbraw/zinc/54/90/92/344549092.db2.gz SVONUQCVJFBNIN-OAHLLOKOSA-N 1 0 256.353 2.088 10 0 CEAERO CN(C(=O)CC1=CCCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000226458452 344550376 /nfs/dbraw/zinc/55/03/76/344550376.db2.gz GQKVKGFNGKLTOM-CQSZACIVSA-N 1 0 250.386 2.477 10 0 CEAERO CCCCOC[C@@H](O)C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000227891847 344557710 /nfs/dbraw/zinc/55/77/10/344557710.db2.gz MCJFANAGPDKQAZ-SJORKVTESA-N 1 0 277.408 2.311 10 0 CEAERO C[C@@H]1CCC[C@H](CNC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000235345120 344590340 /nfs/dbraw/zinc/59/03/40/344590340.db2.gz BDEIKEAWQFDLEG-RDBSUJKOSA-N 1 0 252.402 2.319 10 0 CEAERO C[C@@H]1CN(Cc2ncc(-c3ccc(F)cc3)o2)C[C@@H]1[NH3+] ZINC000235408958 344591100 /nfs/dbraw/zinc/59/11/00/344591100.db2.gz MYIFIZWQJCBEIF-MFKMUULPSA-N 1 0 275.327 2.260 10 0 CEAERO O[C@@H](c1occc1Br)[C@H]1CCCC[NH2+]1 ZINC000236541109 344596039 /nfs/dbraw/zinc/59/60/39/344596039.db2.gz NIZBBWAVGSSCNP-RKDXNWHRSA-N 1 0 260.131 2.218 10 0 CEAERO O[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000052001369 362458841 /nfs/dbraw/zinc/45/88/41/362458841.db2.gz UYRHJBLRSZPVAY-ZIAGYGMSSA-N 1 0 277.364 2.241 10 0 CEAERO CC[N@H+](C[C@@H]1CCCO1)C[C@](C)(O)c1ccccc1 ZINC000052097195 362464687 /nfs/dbraw/zinc/46/46/87/362464687.db2.gz ZEBKUEYOMKPUSP-HOTGVXAUSA-N 1 0 263.381 2.395 10 0 CEAERO CNC(=[NH2+])Nc1cc(Br)ccc1OC ZINC000052091830 362465668 /nfs/dbraw/zinc/46/56/68/362465668.db2.gz OGFCDWOLVUBLML-UHFFFAOYSA-N 1 0 258.119 2.024 10 0 CEAERO OCCC[C@H]1CCC[N@@H+]1Cc1nc(-c2ccco2)no1 ZINC000052762947 362473629 /nfs/dbraw/zinc/47/36/29/362473629.db2.gz DPKXQFJDJCQHGA-LLVKDONJSA-N 1 0 277.324 2.067 10 0 CEAERO CCCCO[C@@H]1C[C@H](NC(=O)[C@H]2CC[C@H]([NH3+])C2)C1(C)C ZINC000262656528 344655392 /nfs/dbraw/zinc/65/53/92/344655392.db2.gz ZFPZFLINGJWZDT-XDQVBPFNSA-N 1 0 282.428 2.214 10 0 CEAERO [NH3+]C[C@H]1C[C@@H]1c1cccc(I)c1 ZINC000307093788 344720025 /nfs/dbraw/zinc/72/00/25/344720025.db2.gz DMLCACRAQLZEJC-PSASIEDQSA-N 1 0 273.117 2.353 10 0 CEAERO OC[C@@H]1C[C@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000308947097 344728456 /nfs/dbraw/zinc/72/84/56/344728456.db2.gz SMWVDOKMTWTVEI-GZMMTYOYSA-N 1 0 274.133 2.059 10 0 CEAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](O)COCc1ccccc1 ZINC000300588055 344700504 /nfs/dbraw/zinc/70/05/04/344700504.db2.gz QRGGXWLPTORLMF-PMPSAXMXSA-N 1 0 263.381 2.342 10 0 CEAERO Cc1ccc(I)cc1N[C@@H](C)C[NH3+] ZINC000300885653 344701838 /nfs/dbraw/zinc/70/18/38/344701838.db2.gz ATQKOFYDSFIUJI-QMMMGPOBSA-N 1 0 290.148 2.359 10 0 CEAERO C[C@H]1[N@H+](Cc2ccccc2)CC[C@@]1(O)C1CCOCC1 ZINC000306669059 344716203 /nfs/dbraw/zinc/71/62/03/344716203.db2.gz KULUVTZJWOYXCJ-PBHICJAKSA-N 1 0 275.392 2.439 10 0 CEAERO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCCN(CCO)C2)C1 ZINC000384561308 344828637 /nfs/dbraw/zinc/82/86/37/344828637.db2.gz KBFMIQZQIHRIQO-ILXRZTDVSA-N 1 0 254.418 2.002 10 0 CEAERO OCCN1CCC[C@H]([NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC000384687546 344828992 /nfs/dbraw/zinc/82/89/92/344828992.db2.gz HUBPURWVOZNGHM-LBPRGKRZSA-N 1 0 286.778 2.025 10 0 CEAERO CC[C@H]1CN(c2c(F)cccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000388039735 344833084 /nfs/dbraw/zinc/83/30/84/344833084.db2.gz YMDXOPXQNQMTFZ-ONGXEEELSA-N 1 0 267.304 2.298 10 0 CEAERO C[C@@H]1CC[C@H](Nc2c(F)cccc2[N+](=O)[O-])C[NH2+]1 ZINC000398964613 344856455 /nfs/dbraw/zinc/85/64/55/344856455.db2.gz PRSDTMQEMOLBQA-BDAKNGLRSA-N 1 0 253.277 2.286 10 0 CEAERO CC(C)(C)c1csc(CN2CC[C@@H]3OCC[NH2+][C@H]3C2)n1 ZINC000403985952 344877767 /nfs/dbraw/zinc/87/77/67/344877767.db2.gz CBNQILSRHSNGNC-RYUDHWBXSA-N 1 0 295.452 2.003 10 0 CEAERO C[C@@H]1C[C@H]([NH2+]CCN2CCCC2=O)CC(C)(C)C1 ZINC000405485261 344884919 /nfs/dbraw/zinc/88/49/19/344884919.db2.gz LMBSKIUFDVTZEL-OLZOCXBDSA-N 1 0 252.402 2.413 10 0 CEAERO C[NH2+][C@@H](C)CCC[S@](=O)c1ccc(F)c(F)c1 ZINC000084032333 178773357 /nfs/dbraw/zinc/77/33/57/178773357.db2.gz QTQOVWNSWDTKGX-HUTHGQBESA-N 1 0 261.337 2.461 10 0 CEAERO COc1ccc([S@](=O)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000084002635 178769793 /nfs/dbraw/zinc/76/97/93/178769793.db2.gz UPROQPAJXRNXIA-GDZNZVCISA-N 1 0 253.367 2.073 10 0 CEAERO COc1ccc([S@](=O)CC[NH2+]C(C)(C)C)cc1 ZINC000084002468 178770235 /nfs/dbraw/zinc/77/02/35/178770235.db2.gz XCVSCLZLMFVJLA-KRWDZBQOSA-N 1 0 255.383 2.191 10 0 CEAERO COc1ccc(C[NH3+])cc1C[S@](=O)C1CCCC1 ZINC000084050205 178778833 /nfs/dbraw/zinc/77/88/33/178778833.db2.gz ZAKRKADRNSVZIU-GOSISDBHSA-N 1 0 267.394 2.345 10 0 CEAERO Cc1ccc([C@@H](O)[C@@H](NCC[NH3+])c2ccccc2)cc1 ZINC000584594851 344961383 /nfs/dbraw/zinc/96/13/83/344961383.db2.gz BVJAXMBZUSWVQE-DLBZAZTESA-N 1 0 270.376 2.318 10 0 CEAERO Cc1cnc2c(Cc3ccc(F)cc3)nc(C(N)=[NH2+])cn12 ZINC000584605066 344963631 /nfs/dbraw/zinc/96/36/31/344963631.db2.gz BRDRWCJYMVYVCM-UHFFFAOYSA-N 1 0 283.310 2.052 10 0 CEAERO CCN1CCN(C)[NH+]=C1Cc1ccc(Cl)cc1 ZINC000584614446 344965205 /nfs/dbraw/zinc/96/52/05/344965205.db2.gz YWNPKNKSJPBEDQ-UHFFFAOYSA-N 1 0 251.761 2.463 10 0 CEAERO c1ccc([C@H]2N=C(CCC[NH+]3CCCC3)ON2)cc1 ZINC000584614151 344965370 /nfs/dbraw/zinc/96/53/70/344965370.db2.gz VMTFQNKQJWJBMO-HNNXBMFYSA-N 1 0 259.353 2.495 10 0 CEAERO CC(C)[NH2+][C@@H](C)[C@@H](O)c1ccc(O)c2[nH]c(=O)ccc12 ZINC000584621435 344967100 /nfs/dbraw/zinc/96/71/00/344967100.db2.gz OKJIXKXNHUFUHR-BJOHPYRUSA-N 1 0 276.336 2.066 10 0 CEAERO CC[NH+](CC)CCN1C(=O)CC2(CCCCC2)CC1=O ZINC000584631064 344969267 /nfs/dbraw/zinc/96/92/67/344969267.db2.gz PQOIBFFAYVMUBT-UHFFFAOYSA-N 1 0 280.412 2.428 10 0 CEAERO CCCCCC[N@@H+]1CCN2C(=O)N(CC)CC[C@H]2C1 ZINC000584640269 344971522 /nfs/dbraw/zinc/97/15/22/344971522.db2.gz UWGZCEVBUCIAAG-AWEZNQCLSA-N 1 0 267.417 2.399 10 0 CEAERO FC(F)(F)c1ccnc(-c2cnn3c2C[NH2+]CC3)c1 ZINC000584648620 344972868 /nfs/dbraw/zinc/97/28/68/344972868.db2.gz PAYOKMRTQKOHSR-UHFFFAOYSA-N 1 0 268.242 2.067 10 0 CEAERO CCC(=O)N(C[C@H](C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000584652145 344973453 /nfs/dbraw/zinc/97/34/53/344973453.db2.gz JXBMAOBLTKKLQI-HNNXBMFYSA-N 1 0 289.423 2.066 10 0 CEAERO c1ccc(CCc2ccccc2N2CC[NH2+]CC2)nc1 ZINC000584651459 344973707 /nfs/dbraw/zinc/97/37/07/344973707.db2.gz VUASDOHYYADIIH-UHFFFAOYSA-N 1 0 267.376 2.276 10 0 CEAERO COC(=O)CCCCCCc1cccnc1CC[NH3+] ZINC000584661823 344974940 /nfs/dbraw/zinc/97/49/40/344974940.db2.gz XSGFSJWCYIXUDE-UHFFFAOYSA-N 1 0 264.369 2.249 10 0 CEAERO CCNc1c(N)c[nH+]c2ccc(N3CCCC3)cc21 ZINC000584882589 344996476 /nfs/dbraw/zinc/99/64/76/344996476.db2.gz LHBARNVHZOECJC-UHFFFAOYSA-N 1 0 256.353 2.271 10 0 CEAERO CCN(CC)C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000054002678 362503899 /nfs/dbraw/zinc/50/38/99/362503899.db2.gz WVPJFOSCDVUOIY-CQSZACIVSA-N 1 0 263.385 2.341 10 0 CEAERO CC[N@H+](CC(C)C)C[C@@H](O)CN(C)Cc1ccccc1 ZINC000588687080 345051720 /nfs/dbraw/zinc/05/17/20/345051720.db2.gz KHDMKBADAWTGHG-KRWDZBQOSA-N 1 0 278.440 2.457 10 0 CEAERO C[NH2+][C@H](C)C(=O)Nc1ccccc1OC(F)(F)F ZINC000054071606 362508993 /nfs/dbraw/zinc/50/89/93/362508993.db2.gz QYZAVWSFFDAQOT-SSDOTTSWSA-N 1 0 262.231 2.132 10 0 CEAERO C[NH2+][C@H](C)C(=O)N(C)Cc1ccc2ccccc2c1 ZINC000054074752 362509025 /nfs/dbraw/zinc/50/90/25/362509025.db2.gz IQPJJPSQZUATFM-GFCCVEGCSA-N 1 0 256.349 2.406 10 0 CEAERO C[NH2+][C@H](C)C(=O)N(C)Cc1cccc(Br)c1 ZINC000054075704 362510805 /nfs/dbraw/zinc/51/08/05/362510805.db2.gz ISPOAXTWCIOGAL-SECBINFHSA-N 1 0 285.185 2.015 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1CNc1ccc(Br)cn1 ZINC000084235221 178829912 /nfs/dbraw/zinc/82/99/12/178829912.db2.gz WRUXFWNLZGJGML-WPRPVWTQSA-N 1 0 270.174 2.383 10 0 CEAERO CC(C)c1ccc(S(=O)(=O)C[C@@H](C)C[NH3+])cc1 ZINC000084267493 178835317 /nfs/dbraw/zinc/83/53/17/178835317.db2.gz UPAFTBMHJYEWAN-NSHDSACASA-N 1 0 255.383 2.179 10 0 CEAERO CC(C)[NH2+][C@](C)(C[C@@H](C)Sc1ccccn1)C(N)=O ZINC000084347873 178860877 /nfs/dbraw/zinc/86/08/77/178860877.db2.gz DDLQDMCCEPLQJL-BXUZGUMPSA-N 1 0 281.425 2.194 10 0 CEAERO Cc1ccc2cc(CN3CCC[C@H]3C[NH3+])ccc2n1 ZINC000097862694 232187534 /nfs/dbraw/zinc/18/75/34/232187534.db2.gz SKSRAJQTZLOGDV-HNNXBMFYSA-N 1 0 255.365 2.466 10 0 CEAERO C[C@H](C[C@H](C)[NH3+])S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000084357089 178867613 /nfs/dbraw/zinc/86/76/13/178867613.db2.gz GECBUIINQMXURA-JGVFFNPUSA-N 1 0 279.764 2.379 10 0 CEAERO C[NH2+][C@H](C)C[C@H](C)S(=O)(=O)c1ccc(C)cc1 ZINC000084356285 178867700 /nfs/dbraw/zinc/86/77/00/178867700.db2.gz ALBLRMMXRUHSTB-NEPJUHHUSA-N 1 0 255.383 2.155 10 0 CEAERO CCCn1nc(C)c(N)c1NC1CC[NH+](CCC)CC1 ZINC000097124655 185541680 /nfs/dbraw/zinc/54/16/80/185541680.db2.gz BIDRCUGOBKPBOJ-UHFFFAOYSA-N 1 0 279.432 2.470 10 0 CEAERO Cc1nn(C(C)C)c(NC[C@H](C)C[NH+]2CCCC2)c1N ZINC000097145676 185548354 /nfs/dbraw/zinc/54/83/54/185548354.db2.gz NXONGXORZHUNRF-LBPRGKRZSA-N 1 0 279.432 2.498 10 0 CEAERO [NH3+][C@H]1CCC[C@H](S(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000084430119 178885900 /nfs/dbraw/zinc/88/59/00/178885900.db2.gz FYGZHRVMJYMFBH-IUCAKERBSA-N 1 0 275.320 2.008 10 0 CEAERO CC(C)c1ccc(S(=O)(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000084432942 178887265 /nfs/dbraw/zinc/88/72/65/178887265.db2.gz JWVMHHYPWMPZFG-GXTWGEPZSA-N 1 0 267.394 2.464 10 0 CEAERO COc1ccnc(C[NH2+]CCc2ccccc2)c1OC ZINC000058824416 362640118 /nfs/dbraw/zinc/64/01/18/362640118.db2.gz RHGZGVAVWOCYLL-UHFFFAOYSA-N 1 0 272.348 2.431 10 0 CEAERO CCCn1ncnc1C[C@H]([NH3+])[C@H]1CSc2ccccc21 ZINC000097282010 185579011 /nfs/dbraw/zinc/57/90/11/185579011.db2.gz RVFSXSBWGLDDFM-STQMWFEESA-N 1 0 288.420 2.447 10 0 CEAERO CC(C)CCN(C)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000247049784 539487351 /nfs/dbraw/zinc/48/73/51/539487351.db2.gz IHFQGOMEMIXGJH-UONOGXRCSA-N 1 0 269.433 2.403 10 0 CEAERO Cc1ncccc1[C@@H]([NH3+])[C@@H]1CCOC2(CCOCC2)C1 ZINC000097310762 185583632 /nfs/dbraw/zinc/58/36/32/185583632.db2.gz OYZHPFUKTPVQNO-HIFRSBDPSA-N 1 0 276.380 2.366 10 0 CEAERO C[NH+](C)C[C@@H](NC(=O)CC1(O)CCCC1)c1ccccc1 ZINC000173723569 232282301 /nfs/dbraw/zinc/28/23/01/232282301.db2.gz VPXKZFUNZSRZCL-OAHLLOKOSA-N 1 0 290.407 2.101 10 0 CEAERO [NH3+][C@@H](Cc1cccnc1)[C@H]1OCCc2ccccc21 ZINC000097390733 185596984 /nfs/dbraw/zinc/59/69/84/185596984.db2.gz TZKZEHSIDQNYHN-HOTGVXAUSA-N 1 0 254.333 2.265 10 0 CEAERO Cc1nn(C)c(Cl)c1C[C@@H]([NH3+])COC(C)(C)C ZINC000097391830 185597519 /nfs/dbraw/zinc/59/75/19/185597519.db2.gz FSERYFRMQLAEMJ-SECBINFHSA-N 1 0 259.781 2.067 10 0 CEAERO CC(C)([NH3+])CC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000084168066 539499541 /nfs/dbraw/zinc/49/95/41/539499541.db2.gz OIMKDWLAYFBXHQ-IUCAKERBSA-N 1 0 266.307 2.351 10 0 CEAERO C[C@](O)(CC[NH3+])Cc1ccc(Br)s1 ZINC000084997011 178941686 /nfs/dbraw/zinc/94/16/86/178941686.db2.gz UDNQFEDUOXZIIZ-VIFPVBQESA-N 1 0 264.188 2.153 10 0 CEAERO CC[C@H]([NH3+])[C@H](CC(=O)OC)c1cc(F)ccc1F ZINC000097432548 185602029 /nfs/dbraw/zinc/60/20/29/185602029.db2.gz RISDDMPLQAYSGQ-PWSUYJOCSA-N 1 0 257.280 2.349 10 0 CEAERO CC[C@@H]([NH3+])[C@H](CC(=O)OC)c1cc(F)c(F)c(F)c1 ZINC000097432521 185602180 /nfs/dbraw/zinc/60/21/80/185602180.db2.gz XTSKKYGPVCYICN-LDYMZIIASA-N 1 0 275.270 2.488 10 0 CEAERO COCCn1ncc(Cl)c1[C@@H]([NH3+])c1ccc(C)nc1C ZINC000097461842 185610701 /nfs/dbraw/zinc/61/07/01/185610701.db2.gz WTNPBKPIPXGQJD-ZDUSSCGKSA-N 1 0 294.786 2.243 10 0 CEAERO CCC[NH+]1CCC(O)(Cc2ccn(C(C)C)n2)CC1 ZINC000085167987 178960860 /nfs/dbraw/zinc/96/08/60/178960860.db2.gz PWBAFKWLNMJBQV-UHFFFAOYSA-N 1 0 265.401 2.243 10 0 CEAERO COCC[NH2+]CC(C)(C)Cc1ccn(C(C)C)n1 ZINC000085170820 178961876 /nfs/dbraw/zinc/96/18/76/178961876.db2.gz KOROPYIHDQEKLN-UHFFFAOYSA-N 1 0 253.390 2.269 10 0 CEAERO CC[C@H](C)n1ccc(C[C@H]([NH3+])C[C@@H]2CCCO2)n1 ZINC000085182259 178965496 /nfs/dbraw/zinc/96/54/96/178965496.db2.gz AHPIWQCWCPSUSJ-OBJOEFQTSA-N 1 0 251.374 2.293 10 0 CEAERO CCC[NH2+][C@](C)(CO)CN(C)c1cccc(C)c1 ZINC000085214213 178977895 /nfs/dbraw/zinc/97/78/95/178977895.db2.gz HYRZSNXRHVESDX-HNNXBMFYSA-N 1 0 250.386 2.182 10 0 CEAERO CCC[NH2+][C@@](C)(CO)CCN(C)c1ccccc1F ZINC000085214782 178978615 /nfs/dbraw/zinc/97/86/15/178978615.db2.gz TZWRUFBKMOPJCV-OAHLLOKOSA-N 1 0 268.376 2.403 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCN(C)c1ccc(C)cc1C ZINC000085215162 178979550 /nfs/dbraw/zinc/97/95/50/178979550.db2.gz MWOLTCDLWMUQHO-MRXNPFEDSA-N 1 0 264.413 2.490 10 0 CEAERO CC[C@@](C)([C@H](Cc1nc(C)c(C)s1)NN)[NH+]1CCCC1 ZINC000097584327 185631143 /nfs/dbraw/zinc/63/11/43/185631143.db2.gz MFACPFJNHMXGFJ-ZFWWWQNUSA-N 1 0 296.484 2.399 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)CN(C)CC1CCCCC1 ZINC000085260863 178991298 /nfs/dbraw/zinc/99/12/98/178991298.db2.gz SPODUUPOCSSIMM-OAHLLOKOSA-N 1 0 256.434 2.248 10 0 CEAERO COc1ccc(OC[C@@](C)([NH3+])CO)c(C(C)(C)C)c1 ZINC000085283106 179000728 /nfs/dbraw/zinc/00/07/28/179000728.db2.gz YIBKSCVJRCNSOQ-HNNXBMFYSA-N 1 0 267.369 2.081 10 0 CEAERO CCC[NH2+][C@H](CO)CCOc1ccc(OCC)cc1 ZINC000085283307 179001155 /nfs/dbraw/zinc/00/11/55/179001155.db2.gz ZUBKQIXXQAKRNF-ZDUSSCGKSA-N 1 0 267.369 2.215 10 0 CEAERO Clc1cnc(N2C[C@@H]3C[NH2+]C[C@H]3C2)c(Cl)c1 ZINC000085283550 179001700 /nfs/dbraw/zinc/00/17/00/179001700.db2.gz FNQQFNCIVJCUHH-YUMQZZPRSA-N 1 0 258.152 2.044 10 0 CEAERO CC[NH2+][C@@H](CO)COc1ccc(C(C)(C)C)cc1 ZINC000085284313 179001894 /nfs/dbraw/zinc/00/18/94/179001894.db2.gz DOCWIJXHVBTRSG-ZDUSSCGKSA-N 1 0 251.370 2.333 10 0 CEAERO CC(C)(C)c1ccc(OC[C@]([NH3+])(CO)C2CC2)cc1 ZINC000085284343 179001976 /nfs/dbraw/zinc/00/19/76/179001976.db2.gz VGKNPEGYJIEZJP-MRXNPFEDSA-N 1 0 263.381 2.463 10 0 CEAERO C[C@@](CO)(CCOc1ccc(F)cc1)[NH2+]C1CC1 ZINC000085285163 179002739 /nfs/dbraw/zinc/00/27/39/179002739.db2.gz OAZFAAHZOYNUHH-AWEZNQCLSA-N 1 0 253.317 2.098 10 0 CEAERO C[NH+](C)CC[C@H](Cc1cccc(C(F)(F)F)c1)NN ZINC000097618422 185639851 /nfs/dbraw/zinc/63/98/51/185639851.db2.gz UFLLRNFSQGAOSU-GFCCVEGCSA-N 1 0 275.318 2.032 10 0 CEAERO CCC[NH2+][C@@](C)(CO)COc1ccc(C)cc1OC ZINC000085286036 179003438 /nfs/dbraw/zinc/00/34/38/179003438.db2.gz UCNYMLNEFCFVLN-HNNXBMFYSA-N 1 0 267.369 2.133 10 0 CEAERO Cc1cc(C)c(C)c(OCCC[C@](C)([NH3+])CO)c1 ZINC000085286058 179003798 /nfs/dbraw/zinc/00/37/98/179003798.db2.gz WLUUZMXOEATOEM-HNNXBMFYSA-N 1 0 251.370 2.481 10 0 CEAERO Cc1cc(C)c(C)c(O[C@@H](C)C[C@@](C)([NH3+])CO)c1 ZINC000085286063 179004226 /nfs/dbraw/zinc/00/42/26/179004226.db2.gz JBQPEIMCEMWJAC-SWLSCSKDSA-N 1 0 251.370 2.479 10 0 CEAERO C[NH2+][C@H](CO)CCOc1cccc(C(C)(C)C)c1 ZINC000085286528 179004247 /nfs/dbraw/zinc/00/42/47/179004247.db2.gz VXKSYSJPHOGLPE-ZDUSSCGKSA-N 1 0 251.370 2.333 10 0 CEAERO CC[NH2+][C@](CO)(CO[C@H](C)CC)c1ccccc1 ZINC000085286981 179004802 /nfs/dbraw/zinc/00/48/02/179004802.db2.gz CZVXMMQZPREVIB-UKRRQHHQSA-N 1 0 251.370 2.299 10 0 CEAERO CC[NH2+][C@](C)(CO)CCCSc1nc(C)cc(C)n1 ZINC000085287993 179005285 /nfs/dbraw/zinc/00/52/85/179005285.db2.gz BLSKXLPOKMYHJM-AWEZNQCLSA-N 1 0 283.441 2.326 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)C[C@H](C)Sc1cnccn1 ZINC000085289631 179005961 /nfs/dbraw/zinc/00/59/61/179005961.db2.gz UJZMOOHEIADWNM-AAEUAGOBSA-N 1 0 269.414 2.096 10 0 CEAERO C[NH2+][C@@](CO)(CSc1ccc(F)cc1)C1CC1 ZINC000085291640 179006976 /nfs/dbraw/zinc/00/69/76/179006976.db2.gz CVSYNOQUMFJIHQ-ZDUSSCGKSA-N 1 0 255.358 2.278 10 0 CEAERO CCC[NH2+][C@](C)(CO)CSc1nc2ccccc2[nH]1 ZINC000085291699 179007258 /nfs/dbraw/zinc/00/72/58/179007258.db2.gz LSINZWFYWJAHJN-CQSZACIVSA-N 1 0 279.409 2.406 10 0 CEAERO Cc1nnc(S[C@@H](C)C[C@@](C)(CO)[NH2+]C(C)C)s1 ZINC000085297101 179008408 /nfs/dbraw/zinc/00/84/08/179008408.db2.gz YTHWSWCGUZPHAU-CABZTGNLSA-N 1 0 289.470 2.466 10 0 CEAERO CCC[NH2+][C@](C)(CO)CCCCSCCOC ZINC000085298014 179009124 /nfs/dbraw/zinc/00/91/24/179009124.db2.gz XFMRSDMIXSZRBS-ZDUSSCGKSA-N 1 0 263.447 2.287 10 0 CEAERO CCC[NH2+][C@](C)(CO)CCSc1ncc(C)cn1 ZINC000085297732 179009326 /nfs/dbraw/zinc/00/93/26/179009326.db2.gz BUWQPUNRYQLQAJ-ZDUSSCGKSA-N 1 0 269.414 2.018 10 0 CEAERO CCN(CCC[C@@](C)(O)C[NH3+])c1ccc(C)cc1 ZINC000085303531 179011129 /nfs/dbraw/zinc/01/11/29/179011129.db2.gz SXTQPYZUYHQXHV-OAHLLOKOSA-N 1 0 250.386 2.311 10 0 CEAERO C[C@](O)(C[NH3+])CCCn1cc(-c2ccccc2)cn1 ZINC000085304480 179011136 /nfs/dbraw/zinc/01/11/36/179011136.db2.gz XTLGQMDXJBYRJP-OAHLLOKOSA-N 1 0 259.353 2.040 10 0 CEAERO NC[C@@](O)(C[NH+]1CCCCCCC1)c1ccccc1 ZINC000085303992 179011410 /nfs/dbraw/zinc/01/14/10/179011410.db2.gz SPIWLXOGOPJPBY-MRXNPFEDSA-N 1 0 262.397 2.099 10 0 CEAERO CCCOc1ccccc1O[C@@H](C)C[C@](C)(O)C[NH3+] ZINC000085306132 179012448 /nfs/dbraw/zinc/01/24/48/179012448.db2.gz DAGWBSNWHZAQQT-WFASDCNBSA-N 1 0 267.369 2.343 10 0 CEAERO C[C@@H]1CCC[C@H](C)N1C(=O)Cc1ccc(C[NH3+])cc1 ZINC000097679326 185650970 /nfs/dbraw/zinc/65/09/70/185650970.db2.gz BOGZPXUPWYWRAO-BETUJISGSA-N 1 0 260.381 2.477 10 0 CEAERO C[C@H]([NH3+])CSCC(=O)Nc1ccc(Cl)cc1 ZINC000085313103 179013799 /nfs/dbraw/zinc/01/37/99/179013799.db2.gz INGNFRZOOBQQPW-QMMMGPOBSA-N 1 0 258.774 2.359 10 0 CEAERO Cc1cccc(CN(C)C(=O)c2c[nH+]ccc2N)c1 ZINC000127601494 187318849 /nfs/dbraw/zinc/31/88/49/187318849.db2.gz KKTYEEPVIIHIPG-UHFFFAOYSA-N 1 0 255.321 2.244 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1c1nc(-c2ccc(O)cc2)no1 ZINC000085325436 179018239 /nfs/dbraw/zinc/01/82/39/179018239.db2.gz WFIKGBIACOKGCK-VXGBXAGGSA-N 1 0 259.309 2.427 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)Nc1ccc(F)c(F)c1F ZINC000085355903 179030292 /nfs/dbraw/zinc/03/02/92/179030292.db2.gz QVZKYRTXTFUKCJ-XPUUQOCRSA-N 1 0 258.243 2.170 10 0 CEAERO C[C@@H]1CC(NC(=O)C2CCC([NH3+])CC2)C[C@@H](C)C1 ZINC000084977947 539536635 /nfs/dbraw/zinc/53/66/35/539536635.db2.gz FJFRNBJPGRRRBK-ZSVAQUKISA-N 1 0 252.402 2.445 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)Nc1nc2ccccc2s1 ZINC000085357260 179030793 /nfs/dbraw/zinc/03/07/93/179030793.db2.gz BNXIADLIJIFJJZ-BDAKNGLRSA-N 1 0 261.350 2.362 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1ccc(Br)cn1 ZINC000085357748 179030871 /nfs/dbraw/zinc/03/08/71/179030871.db2.gz GQROZGQKORMGRV-UWVGGRQHSA-N 1 0 298.184 2.300 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)Nc1c(F)cccc1F ZINC000085357984 179031198 /nfs/dbraw/zinc/03/11/98/179031198.db2.gz AJUJAHLFZMCUQV-GZMMTYOYSA-N 1 0 254.280 2.421 10 0 CEAERO COc1ccc([C@H](C)NC(=O)[C@H]2CCC[C@@H]2[NH3+])c(OC)c1 ZINC000085360061 179032574 /nfs/dbraw/zinc/03/25/74/179032574.db2.gz MTGYNWNDROFFEC-BPNCWPANSA-N 1 0 292.379 2.008 10 0 CEAERO C[C@H](NC(=O)[C@H]1CCC[C@@H]1[NH3+])c1cc(F)ccc1F ZINC000085360053 179032580 /nfs/dbraw/zinc/03/25/80/179032580.db2.gz FOWQYZZADCCDIC-FWDPORAESA-N 1 0 268.307 2.269 10 0 CEAERO COc1ccc(C)cc1[C@@H](C)NC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085361059 179032759 /nfs/dbraw/zinc/03/27/59/179032759.db2.gz PNAYWTVKYBIBSF-DYEKYZERSA-N 1 0 276.380 2.308 10 0 CEAERO COC(=O)c1cc(NC(=O)[C@H]2CCCC[C@H]2[NH3+])ccc1F ZINC000085362513 179034242 /nfs/dbraw/zinc/03/42/42/179034242.db2.gz HWHPJFVRMPIDCN-GXFFZTMASA-N 1 0 294.326 2.068 10 0 CEAERO C[C@H]1CC(NC(=O)C2CCC([NH3+])CC2)C[C@H](C)C1 ZINC000084977950 539536439 /nfs/dbraw/zinc/53/64/39/539536439.db2.gz FJFRNBJPGRRRBK-OKZRHMCRSA-N 1 0 252.402 2.445 10 0 CEAERO [NH3+][C@H]1COC[C@H]1c1nc2cc(Cl)ccc2s1 ZINC000085352940 179029606 /nfs/dbraw/zinc/02/96/06/179029606.db2.gz BDHCNQJDGPQBQO-SFYZADRCSA-N 1 0 254.742 2.391 10 0 CEAERO COCCN(Cc1cccs1)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085367563 179037415 /nfs/dbraw/zinc/03/74/15/179037415.db2.gz FFBUCMRMSAPKCV-UONOGXRCSA-N 1 0 296.436 2.241 10 0 CEAERO COc1cccc([C@@H]2CCCN2C(=O)[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000085367631 179037687 /nfs/dbraw/zinc/03/76/87/179037687.db2.gz MBXFVDWAGYFIPA-PMPSAXMXSA-N 1 0 288.391 2.486 10 0 CEAERO CN(CCOc1ccc(F)cc1)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085367331 179037821 /nfs/dbraw/zinc/03/78/21/179037821.db2.gz DFVSLFODGYIBBT-GJZGRUSLSA-N 1 0 294.370 2.180 10 0 CEAERO CCN(CCc1ccccc1)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085368675 179038524 /nfs/dbraw/zinc/03/85/24/179038524.db2.gz LWKGRLCUUHLIGL-GJZGRUSLSA-N 1 0 260.381 2.205 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000085369017 179038605 /nfs/dbraw/zinc/03/86/05/179038605.db2.gz VCRMIPOUFTWLPC-MBNYWOFBSA-N 1 0 261.369 2.196 10 0 CEAERO C[C@@H]1c2ccsc2CCN1C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085369748 179039769 /nfs/dbraw/zinc/03/97/69/179039769.db2.gz NDDNRCWNKBFLFF-USWWRNFRSA-N 1 0 264.394 2.321 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)NCCc1cccc(Cl)c1 ZINC000085371280 179041192 /nfs/dbraw/zinc/04/11/92/179041192.db2.gz UWHQPAOPTPSXOB-CHWSQXEVSA-N 1 0 266.772 2.126 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)Nc1cccc(-c2nnco2)c1 ZINC000085371000 179041324 /nfs/dbraw/zinc/04/13/24/179041324.db2.gz VZAMANNXGBIGDM-QWHCGFSZSA-N 1 0 286.335 2.193 10 0 CEAERO COc1ccc(C)cc1CN(C)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085371899 179041621 /nfs/dbraw/zinc/04/16/21/179041621.db2.gz ZGSFANMISYHPQN-KGLIPLIRSA-N 1 0 276.380 2.089 10 0 CEAERO COc1ccc(N(C)C(=O)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000085373448 179042633 /nfs/dbraw/zinc/04/26/33/179042633.db2.gz ZEXKBXNYLLXGRA-KBPBESRZSA-N 1 0 262.353 2.176 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)NCCCOc1ccccc1 ZINC000085374032 179042683 /nfs/dbraw/zinc/04/26/83/179042683.db2.gz QIWMNLJWMOSBGK-GJZGRUSLSA-N 1 0 276.380 2.089 10 0 CEAERO CC(C)(C)C1CCN(C(=O)[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000085373716 179042880 /nfs/dbraw/zinc/04/28/80/179042880.db2.gz UHBDRWGFUUTZKA-QWHCGFSZSA-N 1 0 252.402 2.399 10 0 CEAERO Cc1ccc2cccc(NC(=O)[C@H]3CCC[NH2+]C3)c2n1 ZINC000061875306 362693792 /nfs/dbraw/zinc/69/37/92/362693792.db2.gz JFITUXZAXZQAEG-ZDUSSCGKSA-N 1 0 269.348 2.481 10 0 CEAERO CCc1ccccc1CNC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085376565 179044579 /nfs/dbraw/zinc/04/45/79/179044579.db2.gz CXHQEXHQDNQVFJ-HUUCEWRRSA-N 1 0 260.381 2.383 10 0 CEAERO CCOc1ccc([C@H](C)[NH3+])cc1COC1COC1 ZINC000098057788 185678242 /nfs/dbraw/zinc/67/82/42/185678242.db2.gz UHRFTJWNSXJJDQ-JTQLQIEISA-N 1 0 251.326 2.020 10 0 CEAERO CC(C)[C@H]([NH2+]Cc1cnn(CCO)c1)c1cccs1 ZINC000085433509 179061131 /nfs/dbraw/zinc/06/11/31/179061131.db2.gz LXUFZDKPPFPWRS-AWEZNQCLSA-N 1 0 279.409 2.424 10 0 CEAERO CCC[C@@H]1CN(Cc2ccn([C@@H](C)CC)n2)CC[NH2+]1 ZINC000085434687 179061156 /nfs/dbraw/zinc/06/11/56/179061156.db2.gz FWMBNTJXIFRVQJ-UONOGXRCSA-N 1 0 264.417 2.428 10 0 CEAERO CC[C@H]1CN(Cc2ccc3ccccc3n2)CC[NH2+]1 ZINC000085434604 179061429 /nfs/dbraw/zinc/06/14/29/179061429.db2.gz GXECEYVTPRNBFY-AWEZNQCLSA-N 1 0 255.365 2.419 10 0 CEAERO COc1ccccc1CN1CC[NH2+]C2(CCCC2)C1 ZINC000085435332 179061699 /nfs/dbraw/zinc/06/16/99/179061699.db2.gz KARFXFFKQWMCCW-UHFFFAOYSA-N 1 0 260.381 2.413 10 0 CEAERO CO[C@@H]1CCC[C@H]([N@@H+]2CCNC3(CCCC3)C2)C1 ZINC000085435347 179062126 /nfs/dbraw/zinc/06/21/26/179062126.db2.gz BVIDTPBDVVRLBR-UONOGXRCSA-N 1 0 252.402 2.162 10 0 CEAERO CC1(C)C[NH2+]CCN1c1ncccc1C(F)(F)F ZINC000113210886 136532733 /nfs/dbraw/zinc/53/27/33/136532733.db2.gz WWCPJWIKTOJJDR-UHFFFAOYSA-N 1 0 259.275 2.289 10 0 CEAERO C[C@@H](Nc1ncncc1Br)[C@@H]1CCC[NH2+]C1 ZINC000085466515 179071669 /nfs/dbraw/zinc/07/16/69/179071669.db2.gz IVGGCOQWEOLSOG-RKDXNWHRSA-N 1 0 285.189 2.039 10 0 CEAERO C[C@H](Nc1ncncc1Br)[C@@H]1CCC[NH2+]C1 ZINC000085466513 179071940 /nfs/dbraw/zinc/07/19/40/179071940.db2.gz IVGGCOQWEOLSOG-DTWKUNHWSA-N 1 0 285.189 2.039 10 0 CEAERO CC(C)[C@@H]1CN(C[C@@H]2CCCCO2)[C@H](C2CC2)C[NH2+]1 ZINC000085467129 179072825 /nfs/dbraw/zinc/07/28/25/179072825.db2.gz BYGRSSCSJBTBPT-JYJNAYRXSA-N 1 0 266.429 2.264 10 0 CEAERO CC[C@]1(C)C[NH2+][C@H](C(C)C)CN1Cc1cnn(C)c1 ZINC000085468090 179073590 /nfs/dbraw/zinc/07/35/90/179073590.db2.gz ZFCFDGOECMOLBM-LSDHHAIUSA-N 1 0 264.417 2.019 10 0 CEAERO COc1ccc(CN2CC(C)(C)[NH2+]C[C@H]2C)cc1F ZINC000085469008 179074186 /nfs/dbraw/zinc/07/41/86/179074186.db2.gz OAGFDMYEWKAZIU-LLVKDONJSA-N 1 0 266.360 2.407 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C(C)C)CN1C[C@@H]1CCCCO1 ZINC000085450547 179065600 /nfs/dbraw/zinc/06/56/00/179065600.db2.gz JLACBRKFFHTBQK-ILXRZTDVSA-N 1 0 254.418 2.264 10 0 CEAERO CCC[C@@H]1CN(Cc2cnn(CC)c2)C(C)(C)C[NH2+]1 ZINC000085455528 179067911 /nfs/dbraw/zinc/06/79/11/179067911.db2.gz QUAZIJSNVRBTOJ-CQSZACIVSA-N 1 0 264.417 2.256 10 0 CEAERO CC[C@@H]1CN(Cc2ccn(C(C)C)n2)[C@@H](CC)C[NH2+]1 ZINC000085472368 179077046 /nfs/dbraw/zinc/07/70/46/179077046.db2.gz UPAYKZPPGIGOED-HIFRSBDPSA-N 1 0 264.417 2.426 10 0 CEAERO CC[C@H]1CN[C@H](C(C)(C)C)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085475590 179079219 /nfs/dbraw/zinc/07/92/19/179079219.db2.gz KFIXYZQIPGIXMZ-IHRRRGAJSA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@]1(C)C[NH2+][C@H](CC(C)C)CN1[C@@H]1CCOC1 ZINC000085488703 179081065 /nfs/dbraw/zinc/08/10/65/179081065.db2.gz DEIAIKRHJKHXHP-RBSFLKMASA-N 1 0 254.418 2.264 10 0 CEAERO CC[C@H](C)[C@H]1C[N@H+](C[C@@H]2CCOC2)[C@H](C2CC2)CN1 ZINC000085492255 179082124 /nfs/dbraw/zinc/08/21/24/179082124.db2.gz CGOFXWBVVZCHBZ-UGQVUOCMSA-N 1 0 266.429 2.121 10 0 CEAERO C[C@@H]1C[NH2+][C@H](c2ccccc2)CN1C[C@@H]1CCCO1 ZINC000085504567 179084879 /nfs/dbraw/zinc/08/48/79/179084879.db2.gz UVYYSTJQTBSAPN-KBMXLJTQSA-N 1 0 260.381 2.200 10 0 CEAERO CC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1cnn(CC)c1 ZINC000085510617 179086056 /nfs/dbraw/zinc/08/60/56/179086056.db2.gz VHOXYXYDWSEXDK-CVEARBPZSA-N 1 0 276.428 2.256 10 0 CEAERO C[C@@]1(C2CC2)CN(Cc2ccccn2)[C@H](C2CC2)C[NH2+]1 ZINC000085513666 179086362 /nfs/dbraw/zinc/08/63/62/179086362.db2.gz UTWXKAZVUCQWQD-IRXDYDNUSA-N 1 0 271.408 2.434 10 0 CEAERO COCCC[N@@H+]1C[C@](C)(C2CC2)NC[C@@H]1C(C)C ZINC000085512050 179086528 /nfs/dbraw/zinc/08/65/28/179086528.db2.gz UDXPWEDVCHOCKW-HUUCEWRRSA-N 1 0 254.418 2.121 10 0 CEAERO CCC1(CC)C[N@H+](CCOC)C2(CCCC2)CN1 ZINC000085520633 179087723 /nfs/dbraw/zinc/08/77/23/179087723.db2.gz ILOXLLGZJCNXKF-UHFFFAOYSA-N 1 0 254.418 2.410 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C2CC2)CN1Cc1cccc(OC)n1 ZINC000085522573 179088444 /nfs/dbraw/zinc/08/84/44/179088444.db2.gz JMJGDGCPKDGHRP-CABCVRRESA-N 1 0 275.396 2.053 10 0 CEAERO CC[C@@]1(C)CN(Cc2ccncc2)[C@H](C2CC2)C[NH2+]1 ZINC000085495986 179082550 /nfs/dbraw/zinc/08/25/50/179082550.db2.gz QCNBLXIGPPPOBX-HOTGVXAUSA-N 1 0 259.397 2.434 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](c2ccccc2)CN1[C@@H]1CCOC1 ZINC000085505356 179084185 /nfs/dbraw/zinc/08/41/85/179084185.db2.gz CZIFTJKVRIRLNV-BZUAXINKSA-N 1 0 260.381 2.200 10 0 CEAERO CCC[C@@H]1CN[C@@H](c2ccccc2)C[N@@H+]1CCOC ZINC000085506000 179084560 /nfs/dbraw/zinc/08/45/60/179084560.db2.gz ASBJMDMDNXXWOQ-HZPDHXFCSA-N 1 0 262.397 2.448 10 0 CEAERO Cc1nc2c(n1CCOC1CCCCC1)CC[NH2+]C2 ZINC000085571753 179097555 /nfs/dbraw/zinc/09/75/55/179097555.db2.gz VOBZPPLQMLTEPB-UHFFFAOYSA-N 1 0 263.385 2.187 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C2CC2)CN1Cc1cn2ccccc2n1 ZINC000085522954 179088846 /nfs/dbraw/zinc/08/88/46/179088846.db2.gz GVQXRBYPMOACTO-HZPDHXFCSA-N 1 0 284.407 2.297 10 0 CEAERO CC(C)C[C@@H]1C[NH2+][C@H](C2CC2)CN1Cc1cnn(C)c1 ZINC000085526071 179089688 /nfs/dbraw/zinc/08/96/88/179089688.db2.gz BVWQAKUSIGFYGH-CVEARBPZSA-N 1 0 276.428 2.019 10 0 CEAERO COCC[N@@H+]1C[C@@H](C2CC2)NC[C@@H]1C1CCCCC1 ZINC000085527491 179090155 /nfs/dbraw/zinc/09/01/55/179090155.db2.gz PORYDBIOTLVNHB-JKSUJKDBSA-N 1 0 266.429 2.266 10 0 CEAERO COCCC[N@@H+]1C[C@@H](C2CC2)NC[C@@H]1Cc1ccccc1 ZINC000085527533 179090597 /nfs/dbraw/zinc/09/05/97/179090597.db2.gz XQUOVFCQXIVXAJ-ROUUACIJSA-N 1 0 288.435 2.318 10 0 CEAERO CC1(C)C[NH2+][C@H](C2CC2)CN1CCCOCC(F)(F)F ZINC000085527945 179090959 /nfs/dbraw/zinc/09/09/59/179090959.db2.gz UOUIHCDYJQDCLT-LBPRGKRZSA-N 1 0 294.361 2.418 10 0 CEAERO CCOCCN1C[C@@H](C2CC2)[NH2+]CC12CCCC2 ZINC000085528986 179091177 /nfs/dbraw/zinc/09/11/77/179091177.db2.gz GKPKZZWCZRNHPH-AWEZNQCLSA-N 1 0 252.402 2.020 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@H](C2CC2)CN1Cc1cccnc1 ZINC000085528697 179091183 /nfs/dbraw/zinc/09/11/83/179091183.db2.gz PPJWRTVCEGLJRO-HOTGVXAUSA-N 1 0 259.397 2.434 10 0 CEAERO Cc1ccc(F)c(OCC[NH2+]C[C@H]2CCCO2)c1 ZINC000085563716 179094225 /nfs/dbraw/zinc/09/42/25/179094225.db2.gz VXCAGHJQDJVMDF-GFCCVEGCSA-N 1 0 253.317 2.282 10 0 CEAERO Cc1ccc(F)c(OCC[C@@H](CO)[NH2+]C(C)C)c1 ZINC000085564876 179094771 /nfs/dbraw/zinc/09/47/71/179094771.db2.gz QJNNESYNCFERLP-LBPRGKRZSA-N 1 0 255.333 2.262 10 0 CEAERO C[C@H]1CN(C(=O)CSCc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000602593779 347092391 /nfs/dbraw/zinc/09/23/91/347092391.db2.gz NBAQFRMJVCXDTI-WCQYABFASA-N 1 0 296.411 2.112 10 0 CEAERO CC(C)n1ccc(CN2C[C@@H](C3CC3)[NH2+]CC[C@@H]2C)n1 ZINC000085626754 179106572 /nfs/dbraw/zinc/10/65/72/179106572.db2.gz FMTMIKOXPPCYJG-BBRMVZONSA-N 1 0 276.428 2.426 10 0 CEAERO CC[C@H](COC)n1c2c(nc1C(C)(C)C)C[NH2+]CC2 ZINC000085574800 179099721 /nfs/dbraw/zinc/09/97/21/179099721.db2.gz YYUVDJBICQGCML-LLVKDONJSA-N 1 0 265.401 2.424 10 0 CEAERO COC[C@@H](C)n1c2c(nc1-c1ccccc1)C[NH2+]CC2 ZINC000085605912 179100212 /nfs/dbraw/zinc/10/02/12/179100212.db2.gz HYMGWCLISMJTJB-GFCCVEGCSA-N 1 0 271.364 2.403 10 0 CEAERO C[C@@H]([NH3+])CCNC(=O)CCCc1c[nH]c2ccccc12 ZINC000063170271 362754593 /nfs/dbraw/zinc/75/45/93/362754593.db2.gz XRUZPYCTESTNOV-GFCCVEGCSA-N 1 0 273.380 2.344 10 0 CEAERO CCC[C@H]1C[N@@H+]([C@@H]2CCC[C@H](OC)C2)CCCN1 ZINC000085612214 179103187 /nfs/dbraw/zinc/10/31/87/179103187.db2.gz WTEHNNRJJOCLAI-ZNMIVQPWSA-N 1 0 254.418 2.408 10 0 CEAERO CC[C@H]1CN(Cc2ccc(OC)c(F)c2)CCC[NH2+]1 ZINC000085614848 179103627 /nfs/dbraw/zinc/10/36/27/179103627.db2.gz ZRSBQFLXICFRHG-ZDUSSCGKSA-N 1 0 266.360 2.408 10 0 CEAERO COc1ccc(CN2CCC[NH2+][C@H](C3CC3)C2)cc1F ZINC000085616597 179103815 /nfs/dbraw/zinc/10/38/15/179103815.db2.gz WJQYTOWVAZNBBQ-HNNXBMFYSA-N 1 0 278.371 2.408 10 0 CEAERO CO[C@H]1CCC[C@@H]([N@@H+]2CCCN[C@H](C3CC3)C2)C1 ZINC000085616385 179104293 /nfs/dbraw/zinc/10/42/93/179104293.db2.gz HPELTXITXHJFGJ-ILXRZTDVSA-N 1 0 252.402 2.018 10 0 CEAERO C[C@H]1CCN[C@H](c2ccccc2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085621556 179105924 /nfs/dbraw/zinc/10/59/24/179105924.db2.gz IJMUQSGAVUVSRX-ZOBUZTSGSA-N 1 0 274.408 2.448 10 0 CEAERO CCC(=O)[C@@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC000085682159 179113750 /nfs/dbraw/zinc/11/37/50/179113750.db2.gz VOVMOHGYRZMMRQ-CYBMUJFWSA-N 1 0 252.402 2.304 10 0 CEAERO C[C@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CCCCC1 ZINC000085636210 179109029 /nfs/dbraw/zinc/10/90/29/179109029.db2.gz DCDYJQMQCFEGGE-QPSCCSFWSA-N 1 0 266.429 2.264 10 0 CEAERO CC[C@@H]1CO[C@H](C)CN1c1ccc(F)cc1CC[NH3+] ZINC000104276134 136554282 /nfs/dbraw/zinc/55/42/82/136554282.db2.gz XPBVBYDBAQEXFZ-BXUZGUMPSA-N 1 0 266.360 2.331 10 0 CEAERO CC[C@H]1CN(c2cc(CO)[nH+]c3ccccc32)CCO1 ZINC000109594267 136556151 /nfs/dbraw/zinc/55/61/51/136556151.db2.gz GKELRTYKZMNBFV-ZDUSSCGKSA-N 1 0 272.348 2.342 10 0 CEAERO COc1cccc(N2CCC[C@H](C[NH2+]C(C)C)C2)n1 ZINC000110544941 136556876 /nfs/dbraw/zinc/55/68/76/136556876.db2.gz ONKOOVJKQKWNFX-CYBMUJFWSA-N 1 0 263.385 2.305 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)N2CC[C@@H](C[NH+](C)C)C2)o1 ZINC000129344084 365849378 /nfs/dbraw/zinc/84/93/78/365849378.db2.gz VQACJDANKGTJHN-OLZOCXBDSA-N 1 0 279.384 2.242 10 0 CEAERO CC[C@@](C)([C@@H](O)Cc1ccccc1)[NH+]1CCOCC1 ZINC000085749890 179142036 /nfs/dbraw/zinc/14/20/36/179142036.db2.gz UDRFTXDOZMXXQB-HOTGVXAUSA-N 1 0 263.381 2.091 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000236901224 370649199 /nfs/dbraw/zinc/64/91/99/370649199.db2.gz FBLVOURQGXLPRF-HZPDHXFCSA-N 1 0 290.407 2.322 10 0 CEAERO C[NH+](C)C[C@@H](O)Cc1ccc(Br)cc1F ZINC000085794151 179171538 /nfs/dbraw/zinc/17/15/38/179171538.db2.gz CZMXHUMEBISPSF-JTQLQIEISA-N 1 0 276.149 2.053 10 0 CEAERO COc1cc(C(=O)NC[C@H]2CCCC[C@H]2[NH3+])ccc1C ZINC000085965100 179205595 /nfs/dbraw/zinc/20/55/95/179205595.db2.gz VJMNLYGMVSEMTB-ZIAGYGMSSA-N 1 0 276.380 2.251 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1CNC(=O)[C@@H]1CCOc2ccccc21 ZINC000085965795 179205614 /nfs/dbraw/zinc/20/56/14/179205614.db2.gz UYLJGFGBRLNCBF-YUELXQCFSA-N 1 0 288.391 2.186 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1CNC(=O)Cc1cccc(F)c1 ZINC000085966192 179205971 /nfs/dbraw/zinc/20/59/71/179205971.db2.gz AUVPCIXJGLRKNF-TZMCWYRMSA-N 1 0 264.344 2.002 10 0 CEAERO O=C(C1CC1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000065288712 362809167 /nfs/dbraw/zinc/80/91/67/362809167.db2.gz XEKWATNDSRKEGS-CQSZACIVSA-N 1 0 250.386 2.263 10 0 CEAERO CCC[NH2+][C@@H](CCO)Cn1ccnc1-c1ccccc1 ZINC000085923324 179201664 /nfs/dbraw/zinc/20/16/64/179201664.db2.gz WINCHXZYOZSQDY-HNNXBMFYSA-N 1 0 273.380 2.301 10 0 CEAERO CCC[NH2+][C@@H](CCO)CSc1nc2ccccc2[nH]1 ZINC000085928535 179202933 /nfs/dbraw/zinc/20/29/33/179202933.db2.gz QAEUTELGUQZGMN-NSHDSACASA-N 1 0 279.409 2.406 10 0 CEAERO CC(C)[C@@H](CC[NH3+])CCC(=O)NC[C@H]1CCCC[C@@H]1O ZINC000085986144 179211298 /nfs/dbraw/zinc/21/12/98/179211298.db2.gz MCJMCZXLNQEULM-KFWWJZLASA-N 1 0 284.444 2.055 10 0 CEAERO Cc1ccc(NC(=O)C[NH2+]C[C@@H]2CCCC[C@H]2O)cc1 ZINC000085986644 179212357 /nfs/dbraw/zinc/21/23/57/179212357.db2.gz SDNPEKRRBDMOFV-DZGCQCFKSA-N 1 0 276.380 2.074 10 0 CEAERO CCC[NH2+][C@H]1CC[C@H](Sc2nccc(=O)[nH]2)[C@@H]1C ZINC000086043770 179222794 /nfs/dbraw/zinc/22/27/94/179222794.db2.gz HGIBAEZVEIMJAI-VWYCJHECSA-N 1 0 267.398 2.441 10 0 CEAERO C[C@@H]1CC[C@H]([NH2+]Cc2cc(C(N)=O)ccc2F)[C@@H]1C ZINC000086077834 179225956 /nfs/dbraw/zinc/22/59/56/179225956.db2.gz YVVWKCNDEIPMMI-RULNRJAQSA-N 1 0 264.344 2.449 10 0 CEAERO CCC[NH2+][C@H](c1ccc(C)o1)[C@H]1CCS(=O)(=O)C1 ZINC000086022337 179218659 /nfs/dbraw/zinc/21/86/59/179218659.db2.gz PRMUKPRDYAUJKC-AAEUAGOBSA-N 1 0 271.382 2.063 10 0 CEAERO CC[NH2+][C@H](c1ccc(CC)s1)[C@H]1CCS(=O)(=O)C1 ZINC000086020964 179218666 /nfs/dbraw/zinc/21/86/66/179218666.db2.gz NNWLACZKTJFJFN-GWCFXTLKSA-N 1 0 287.450 2.396 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000086026038 179219478 /nfs/dbraw/zinc/21/94/78/179219478.db2.gz AHDHATHGNHJYBG-HIFRSBDPSA-N 1 0 299.411 2.171 10 0 CEAERO CCC[NH2+][C@H](Cc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000086026419 179219870 /nfs/dbraw/zinc/21/98/70/179219870.db2.gz BUAAQZSNUOWYLX-HZPDHXFCSA-N 1 0 295.448 2.340 10 0 CEAERO CCC[NH2+][C@@H]1CC[C@@H](S(=O)(=O)C(C)(C)C)[C@@H]1C ZINC000086040871 179222189 /nfs/dbraw/zinc/22/21/89/179222189.db2.gz RYYUNRBNAWHWDT-IJLUTSLNSA-N 1 0 261.431 2.366 10 0 CEAERO CC[C@H]1CC[C@@H](n2nnnc2C[NH2+]CC(C)C)[C@@H]1C ZINC000086107394 179230650 /nfs/dbraw/zinc/23/06/50/179230650.db2.gz OOCUTOPODKRZII-FRRDWIJNSA-N 1 0 265.405 2.416 10 0 CEAERO CCC[NH2+]Cc1nnnn1[C@@H]1CC[C@@H](CC)[C@@H]1C ZINC000086107369 179230676 /nfs/dbraw/zinc/23/06/76/179230676.db2.gz AICJUUMJAIMKPX-QJPTWQEYSA-N 1 0 251.378 2.170 10 0 CEAERO Cn1cc([C@H]2CC[N@H+](Cc3cccc(O)c3)C2)cn1 ZINC000128511069 187374903 /nfs/dbraw/zinc/37/49/03/187374903.db2.gz LJVXXTMHZAXMJJ-ZDUSSCGKSA-N 1 0 257.337 2.115 10 0 CEAERO c1ccc([C@@H]2C[N@H+](CCc3ccccn3)CCN2)cc1 ZINC000086130656 179236435 /nfs/dbraw/zinc/23/64/35/179236435.db2.gz CFVLJAWDPXFVTP-KRWDZBQOSA-N 1 0 267.376 2.271 10 0 CEAERO c1csc(CN2CC[NH2+][C@@H](C3CCCCC3)C2)n1 ZINC000086144194 179237451 /nfs/dbraw/zinc/23/74/51/179237451.db2.gz AAVBRVMUMYJOTF-CYBMUJFWSA-N 1 0 265.426 2.497 10 0 CEAERO Cc1csc(CN2CC[NH2+][C@@H](C(C)(C)C)C2)n1 ZINC000086144321 179237475 /nfs/dbraw/zinc/23/74/75/179237475.db2.gz VTIWUIVRJQWRDW-LLVKDONJSA-N 1 0 253.415 2.271 10 0 CEAERO Cc1nc(CN2CC[NH2+][C@@H](C(C)(C)C)C2)cs1 ZINC000086144249 179237905 /nfs/dbraw/zinc/23/79/05/179237905.db2.gz BCCBORGBETVLIS-GFCCVEGCSA-N 1 0 253.415 2.271 10 0 CEAERO CC[C@@H]1CC[C@H](NC(=O)CC2CC[NH2+]CC2)[C@@H]1C ZINC000086094147 179228824 /nfs/dbraw/zinc/22/88/24/179228824.db2.gz FVROSXNYCAYMFC-BNOWGMLFSA-N 1 0 252.402 2.317 10 0 CEAERO CC[C@@H]1CC[C@@H]([NH2+]Cc2cnc(N(C)C)n2C)[C@@H]1C ZINC000086091905 179229090 /nfs/dbraw/zinc/22/90/90/179229090.db2.gz VEOUUEDAOYHTHJ-YRGRVCCFSA-N 1 0 264.417 2.400 10 0 CEAERO [NH3+]CCc1nnc(CSc2ccccc2)s1 ZINC000086098271 179229423 /nfs/dbraw/zinc/22/94/23/179229423.db2.gz RDFKDBZHFMQFRY-UHFFFAOYSA-N 1 0 251.380 2.332 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1CCc1ccccn1 ZINC000086155994 179241642 /nfs/dbraw/zinc/24/16/42/179241642.db2.gz RZWMWVRHSLYABP-HZPDHXFCSA-N 1 0 261.413 2.333 10 0 CEAERO Cc1nc(CN2C[C@@H](C(C)C)[NH2+]C[C@@H]2C)cs1 ZINC000086173072 179244898 /nfs/dbraw/zinc/24/48/98/179244898.db2.gz QEAQTVPGAHEBPM-GWCFXTLKSA-N 1 0 253.415 2.270 10 0 CEAERO CC(C)[C@H]1C[NH2+]CCN1[C@@H]1CCOc2ccccc21 ZINC000086177694 179246832 /nfs/dbraw/zinc/24/68/32/179246832.db2.gz LSIVZLBJGJGUOZ-HUUCEWRRSA-N 1 0 260.381 2.440 10 0 CEAERO Cc1ccc(CN2CC[NH2+]C3(CCCCC3)C2)cn1 ZINC000086148491 179239629 /nfs/dbraw/zinc/23/96/29/179239629.db2.gz ODNKUNPHYRAPAK-UHFFFAOYSA-N 1 0 259.397 2.498 10 0 CEAERO CCC1(CC)CN(Cc2ccc(OC)nc2)CC[NH2+]1 ZINC000086148621 179239868 /nfs/dbraw/zinc/23/98/68/179239868.db2.gz FRWYZZGZENUFPW-UHFFFAOYSA-N 1 0 263.385 2.054 10 0 CEAERO COc1ccc(Br)cc1[C@@H]1OCC[C@H]1[NH3+] ZINC000086249801 179256013 /nfs/dbraw/zinc/25/60/13/179256013.db2.gz QZGMLPLHKWAMFE-KOLCDFICSA-N 1 0 272.142 2.246 10 0 CEAERO CC[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1CCc1ccncc1 ZINC000086223292 179252292 /nfs/dbraw/zinc/25/22/92/179252292.db2.gz BAMJICSBEQNPGN-IAGOWNOFSA-N 1 0 273.424 2.477 10 0 CEAERO CCC1(CC)CN(CCc2cccnc2)[C@@H](C)C[NH2+]1 ZINC000086223239 179252590 /nfs/dbraw/zinc/25/25/90/179252590.db2.gz VCPWPRCKKMYFAS-AWEZNQCLSA-N 1 0 261.413 2.477 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@@H](C2CC2)CN1Cc1nccs1 ZINC000086226834 179252943 /nfs/dbraw/zinc/25/29/43/179252943.db2.gz XJDYMHGCMDQCOY-OLZOCXBDSA-N 1 0 265.426 2.352 10 0 CEAERO CC(C)(C[NH3+])Nc1nc(Br)cs1 ZINC000086290714 179265374 /nfs/dbraw/zinc/26/53/74/179265374.db2.gz YTPAHKUDYXWZBN-UHFFFAOYSA-N 1 0 250.165 2.055 10 0 CEAERO COCCCC[N@@H+]1CC2(CCCCC2)NC[C@@H]1C ZINC000086259430 179257981 /nfs/dbraw/zinc/25/79/81/179257981.db2.gz NJORKKXXFFIJSP-AWEZNQCLSA-N 1 0 254.418 2.410 10 0 CEAERO CC[C@H]1C[NH2+][C@@](C)(CC)CN1Cc1cc(C)on1 ZINC000086259814 179259032 /nfs/dbraw/zinc/25/90/32/179259032.db2.gz YXZABQNOJVDKPM-KBPBESRZSA-N 1 0 251.374 2.336 10 0 CEAERO Cc1nccc(CN2C[C@@](C)(C3CC3)[NH2+]C[C@@H]2C(C)C)n1 ZINC000086260189 179259062 /nfs/dbraw/zinc/25/90/62/179259062.db2.gz XLWGSGFMTZHDJC-SJORKVTESA-N 1 0 288.439 2.384 10 0 CEAERO Cc1cc(CN2C[C@H](C(C)(C)C)[NH2+]C[C@@H]2C)no1 ZINC000086259837 179259597 /nfs/dbraw/zinc/25/95/97/179259597.db2.gz QEFYZRSZJFCDLI-GXFFZTMASA-N 1 0 251.374 2.191 10 0 CEAERO CC[C@]1(C)C[N@H+](C[C@@H](C)COC)[C@H](C(C)C)CN1 ZINC000086260931 179260119 /nfs/dbraw/zinc/26/01/19/179260119.db2.gz UDTUCTMBUPGHDV-QLFBSQMISA-N 1 0 256.434 2.367 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C2CC2)CN1Cc1ccnc(OC)c1 ZINC000086263839 179260862 /nfs/dbraw/zinc/26/08/62/179260862.db2.gz VAZURTKBLXKNAF-CABCVRRESA-N 1 0 275.396 2.053 10 0 CEAERO C[C@@H]1C[NH2+][C@@](C)(c2ccccc2)CN1Cc1nccn1C ZINC000086264853 179261153 /nfs/dbraw/zinc/26/11/53/179261153.db2.gz BBSYSHODQRVALB-RHSMWYFYSA-N 1 0 284.407 2.129 10 0 CEAERO COc1cc(CN2C[C@@H](C(C)(C)C)[NH2+]C[C@@H]2C)ccn1 ZINC000086263862 179261181 /nfs/dbraw/zinc/26/11/81/179261181.db2.gz ZKOZVEHGMCRLNN-JSGCOSHPSA-N 1 0 277.412 2.299 10 0 CEAERO CC[C@H]1C[NH2+]C(C)(C)CN1Cc1scnc1C ZINC000086264676 179261198 /nfs/dbraw/zinc/26/11/98/179261198.db2.gz BXPIWSHJPDBWRA-NSHDSACASA-N 1 0 253.415 2.414 10 0 CEAERO CC[C@H](COC)[N@@H+]1C[C@H](C2CC2)NC[C@@H]1C(C)C ZINC000086267462 179261813 /nfs/dbraw/zinc/26/18/13/179261813.db2.gz YQNQGYWAWNLUAU-RBSFLKMASA-N 1 0 254.418 2.120 10 0 CEAERO C[C@@H]1C[NH2+]C2(CCCC2)CN1Cc1cscn1 ZINC000086265493 179262000 /nfs/dbraw/zinc/26/20/00/179262000.db2.gz HNLSSZPMBMCUQA-LLVKDONJSA-N 1 0 251.399 2.250 10 0 CEAERO CC[C@H]1C[NH2+][C@H](CC(C)C)CN1[C@@H]1CCCOC1 ZINC000086265246 179262297 /nfs/dbraw/zinc/26/22/97/179262297.db2.gz CQEVLBPFLPYLKF-QLFBSQMISA-N 1 0 254.418 2.264 10 0 CEAERO CCn1cc(N2CCC[NH2+][C@@H](CC(C)C)C2)cn1 ZINC000086287187 179264421 /nfs/dbraw/zinc/26/44/21/179264421.db2.gz UWYLSRANHMCYBT-ZDUSSCGKSA-N 1 0 250.390 2.117 10 0 CEAERO Cc1csc(CN2CCC[NH2+][C@H](C(C)C)C2)n1 ZINC000086290069 179264779 /nfs/dbraw/zinc/26/47/79/179264779.db2.gz NORLJOFPOWBVIW-LBPRGKRZSA-N 1 0 253.415 2.271 10 0 CEAERO CC[C@@H](C[NH3+])Nc1nc(Br)cs1 ZINC000086290977 179265245 /nfs/dbraw/zinc/26/52/45/179265245.db2.gz MUUUVZCUKZIMDZ-YFKPBYRVSA-N 1 0 250.165 2.055 10 0 CEAERO CCCN1CCO[C@@H](C[NH3+])[C@@H]1c1ccc2ccccc2n1 ZINC000086317396 179270362 /nfs/dbraw/zinc/27/03/62/179270362.db2.gz XCTRIMXTUYHFCA-IRXDYDNUSA-N 1 0 285.391 2.345 10 0 CEAERO Cc1cc(CN2CCC[NH2+][C@@H](Cc3ccccc3)C2)no1 ZINC000086292078 179266567 /nfs/dbraw/zinc/26/65/67/179266567.db2.gz MKYIJXASJNLVJG-INIZCTEOSA-N 1 0 285.391 2.390 10 0 CEAERO Cc1noc(CN2CCC[NH2+][C@@](C)(c3ccccc3)C2)n1 ZINC000086292672 179266838 /nfs/dbraw/zinc/26/68/38/179266838.db2.gz OATWNMGMZQYNJS-MRXNPFEDSA-N 1 0 286.379 2.089 10 0 CEAERO CC(C)[C@H]1CN(CCc2nccs2)CCC[NH2+]1 ZINC000086296877 179267405 /nfs/dbraw/zinc/26/74/05/179267405.db2.gz HSATZBHMPQDMFY-GFCCVEGCSA-N 1 0 253.415 2.006 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(Cc2ccnc(OC)c2)CCC[NH2+]1 ZINC000086296303 179267991 /nfs/dbraw/zinc/26/79/91/179267991.db2.gz RMUHWJHQBQYMHM-HIFRSBDPSA-N 1 0 277.412 2.300 10 0 CEAERO Cn1ccnc1CN1CCC[NH2+][C@](C)(c2ccccc2)C1 ZINC000086297332 179268208 /nfs/dbraw/zinc/26/82/08/179268208.db2.gz QJXVGSHDMXJSNN-KRWDZBQOSA-N 1 0 284.407 2.131 10 0 CEAERO Cc1ccc(CN2CCC[NH2+]C3(CCCC3)C2)cn1 ZINC000086296258 179268258 /nfs/dbraw/zinc/26/82/58/179268258.db2.gz LUPBWKMVQQCQCU-UHFFFAOYSA-N 1 0 259.397 2.498 10 0 CEAERO CC(C)(C)[C@H]1CN(CCc2cscn2)CCC[NH2+]1 ZINC000086297932 179269217 /nfs/dbraw/zinc/26/92/17/179269217.db2.gz FNSZNKNPJNLPNY-CYBMUJFWSA-N 1 0 267.442 2.396 10 0 CEAERO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1Cc1cc(Cl)cs1 ZINC000086333658 179273604 /nfs/dbraw/zinc/27/36/04/179273604.db2.gz UBDZKKQWWIWTLS-KBVBSXBZSA-N 1 0 256.802 2.441 10 0 CEAERO Cn1cc(C[NH3+])c(-c2sccc2Br)n1 ZINC000086443012 179293633 /nfs/dbraw/zinc/29/36/33/179293633.db2.gz JASLVVUHRMBHIN-UHFFFAOYSA-N 1 0 272.171 2.370 10 0 CEAERO CCC[NH2+][C@@H]1CCCc2sc(N3CCN(C)CC3)nc21 ZINC000086442149 179293893 /nfs/dbraw/zinc/29/38/93/179293893.db2.gz GAFJRJUANDIAIB-GFCCVEGCSA-N 1 0 294.468 2.272 10 0 CEAERO CC[C@H]1CN(C(=O)Cc2cccc(F)c2)[C@@H](CC)C[NH2+]1 ZINC000086446338 179294702 /nfs/dbraw/zinc/29/47/02/179294702.db2.gz SVOIOBMFOQNCOY-GJZGRUSLSA-N 1 0 278.371 2.357 10 0 CEAERO CC[C@@H]1CN(C(=O)c2ccc(OC)cc2O)[C@@H](CC)C[NH2+]1 ZINC000086446953 179295661 /nfs/dbraw/zinc/29/56/61/179295661.db2.gz LUOINPCLEVDBMH-NEPJUHHUSA-N 1 0 292.379 2.003 10 0 CEAERO CC[C@H](CC[NH3+])CCC(=O)NOCc1ccccc1 ZINC000086437198 179292860 /nfs/dbraw/zinc/29/28/60/179292860.db2.gz FKYMJUXUXNBTAF-ZDUSSCGKSA-N 1 0 264.369 2.390 10 0 CEAERO C[NH2+][C@@H]1CCCc2sc(C[C@@H]3CCCO3)nc21 ZINC000086439074 179292918 /nfs/dbraw/zinc/29/29/18/179292918.db2.gz RJTUFSSWSQBNRF-VHSXEESVSA-N 1 0 252.383 2.461 10 0 CEAERO Cn1ccnc1C[C@H]([NH3+])c1cccc(Br)c1 ZINC000086486088 179301470 /nfs/dbraw/zinc/30/14/70/179301470.db2.gz UYINUMHHTIZLEO-NSHDSACASA-N 1 0 280.169 2.425 10 0 CEAERO c1csc(-c2n[nH]cc2C[NH2+]CCc2c[nH]cn2)c1 ZINC000086507155 179303433 /nfs/dbraw/zinc/30/34/33/179303433.db2.gz WXUINBYISVDSHE-UHFFFAOYSA-N 1 0 273.365 2.194 10 0 CEAERO C[NH2+][C@@H](Cc1ccccc1Br)C(OC)OC ZINC000086452269 179296601 /nfs/dbraw/zinc/29/66/01/179296601.db2.gz LVQNNGCAOFUJFI-NSHDSACASA-N 1 0 288.185 2.199 10 0 CEAERO C[C@@H](CCc1ccc(O)cc1)[N@@H+]1C[C@@H](C)NC[C@@H]1C ZINC000086467071 179296968 /nfs/dbraw/zinc/29/69/68/179296968.db2.gz HMCZAECYQHKPEC-RDBSUJKOSA-N 1 0 262.397 2.396 10 0 CEAERO CCCC[C@H](CC)C[C@@H]([NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000086566372 179307562 /nfs/dbraw/zinc/30/75/62/179307562.db2.gz JNWNFUKQGBSXMJ-YNEHKIRRSA-N 1 0 261.431 2.355 10 0 CEAERO CCC[C@](C)([NH3+])[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000086566762 179307887 /nfs/dbraw/zinc/30/78/87/179307887.db2.gz LXAIGNBREDYYHD-YPMHNXCESA-N 1 0 253.367 2.075 10 0 CEAERO CO[C@@H](C)[C@H]([NH3+])Cc1ccc(Br)s1 ZINC000086576739 179308358 /nfs/dbraw/zinc/30/83/58/179308358.db2.gz KXSCXTPUSLRAHS-POYBYMJQSA-N 1 0 264.188 2.415 10 0 CEAERO CO[C@@H](C)[C@@H]([NH3+])Cc1ccccc1Br ZINC000086576317 179308503 /nfs/dbraw/zinc/30/85/03/179308503.db2.gz QKWPLPVCOCJLCD-KWQFWETISA-N 1 0 258.159 2.354 10 0 CEAERO CO[C@H](C)[C@H]([NH3+])Cc1ccc(F)c(Br)c1 ZINC000086576146 179308706 /nfs/dbraw/zinc/30/87/06/179308706.db2.gz CBTBFBJORARQRF-RDDDGLTNSA-N 1 0 276.149 2.493 10 0 CEAERO CC[NH2+]C[C@@H]1OCCN(C)[C@@H]1c1ccc(OC)c(Cl)c1 ZINC000086584939 179309221 /nfs/dbraw/zinc/30/92/21/179309221.db2.gz UHFPKZVEXTXUIL-LSDHHAIUSA-N 1 0 298.814 2.330 10 0 CEAERO Cc1cnc([C@H](C)NC(=O)C[C@H]([NH3+])c2ccccc2)o1 ZINC000231743559 539580859 /nfs/dbraw/zinc/58/08/59/539580859.db2.gz XZTAXDAJGYMSGB-AAEUAGOBSA-N 1 0 273.336 2.250 10 0 CEAERO CC(C)(C)n1c2ccc(C[NH3+])cc2nc1[C@@H]1COCCO1 ZINC000086641994 179314730 /nfs/dbraw/zinc/31/47/30/179314730.db2.gz IWCXMMARPFENFV-AWEZNQCLSA-N 1 0 289.379 2.338 10 0 CEAERO C[C@@H](CO)C[NH2+]CC(=O)Nc1c(Cl)cccc1Cl ZINC000086631465 179315102 /nfs/dbraw/zinc/31/51/02/179315102.db2.gz PENFVKJFXAYSDU-MRVPVSSYSA-N 1 0 291.178 2.150 10 0 CEAERO CCn1c2ccc(C[NH3+])cc2nc1[C@@H]1CCCOC1 ZINC000086641870 179315107 /nfs/dbraw/zinc/31/51/07/179315107.db2.gz UCUJVEIXUUXCTB-GFCCVEGCSA-N 1 0 259.353 2.409 10 0 CEAERO CCc1cc2c(ncnc2NC[C@@H](C)C[NH3+])s1 ZINC000086634511 179315276 /nfs/dbraw/zinc/31/52/76/179315276.db2.gz MZTKNOWRIADLEK-QMMMGPOBSA-N 1 0 250.371 2.260 10 0 CEAERO Cc1csc(S[C@@H]2CCC[C@]([NH3+])(CO)C2)n1 ZINC000086617585 179311448 /nfs/dbraw/zinc/31/14/48/179311448.db2.gz RTNLPCISQZRVOM-MWLCHTKSSA-N 1 0 258.412 2.176 10 0 CEAERO COc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2S(C)(=O)=O)c1 ZINC000086674891 179318544 /nfs/dbraw/zinc/31/85/44/179318544.db2.gz UWZXDVXQLNRFPH-GLQYFDAESA-N 1 0 297.420 2.312 10 0 CEAERO C[C@@H]1CCC[C@H]1[NH+]1CCC([N@@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000086776363 179328881 /nfs/dbraw/zinc/32/88/81/179328881.db2.gz YAOGTICICRTWKR-BPLDGKMQSA-N 1 0 280.412 2.188 10 0 CEAERO CCOC(=O)[C@@H](C)OC1(C[NH3+])CCC(CC)CC1 ZINC000086713308 179322991 /nfs/dbraw/zinc/32/29/91/179322991.db2.gz FUOXVLOJFKXAFY-LKSINWNRSA-N 1 0 257.374 2.252 10 0 CEAERO CCC[C@@]1(C(=O)[O-])CC[N@@H+](C2CC[NH+](C(C)C)CC2)C1 ZINC000086782367 179331048 /nfs/dbraw/zinc/33/10/48/179331048.db2.gz ZKDDRUBZBVZKGC-MRXNPFEDSA-N 1 0 282.428 2.436 10 0 CEAERO COCCN[C@@]1(c2nc(C)c(C)s2)CCC[N@H+](C)CC1 ZINC000086833785 179349393 /nfs/dbraw/zinc/34/93/93/179349393.db2.gz RNEBFFZCNXHMBC-HNNXBMFYSA-N 1 0 297.468 2.307 10 0 CEAERO C[C@@H](N[C@@H]1CCC[N@H+](C)CC1)c1nnc2n1CCCCC2 ZINC000086818506 179347154 /nfs/dbraw/zinc/34/71/54/179347154.db2.gz YWHKQSWXEAEHRO-ZIAGYGMSSA-N 1 0 291.443 2.139 10 0 CEAERO CC[N@@H+]1CCC[C@@](Nc2cccc(C)c2)(C(N)=O)CC1 ZINC000086849389 179357633 /nfs/dbraw/zinc/35/76/33/179357633.db2.gz DPFNRPLUPPQJDJ-INIZCTEOSA-N 1 0 275.396 2.137 10 0 CEAERO C[N@@H+]1CCC[C@@](O)(Cc2cc(F)ccc2F)CC1 ZINC000086833991 179350411 /nfs/dbraw/zinc/35/04/11/179350411.db2.gz DXLNXEKXZNQSJI-AWEZNQCLSA-N 1 0 255.308 2.354 10 0 CEAERO CCC[N@@H+]1CCC[C@](Nc2ccc(F)cc2)(C(N)=O)CC1 ZINC000086849367 179357878 /nfs/dbraw/zinc/35/78/78/179357878.db2.gz MXMPSJDQWUUYDI-MRXNPFEDSA-N 1 0 293.386 2.358 10 0 CEAERO CC(C)C[C@@H]([NH2+][C@H]1CCC[N@@H+](C(C)C)CC1)C(=O)[O-] ZINC000086843288 179353248 /nfs/dbraw/zinc/35/32/48/179353248.db2.gz HSXIBYQEATXGGH-UONOGXRCSA-N 1 0 270.417 2.338 10 0 CEAERO CC[N@@H+]1CCC[C@H](NCc2scnc2C)CC1 ZINC000086844865 179355184 /nfs/dbraw/zinc/35/51/84/179355184.db2.gz LHQRLSCGJPTFJF-LBPRGKRZSA-N 1 0 253.415 2.416 10 0 CEAERO CCn1cc(C[C@@]2(O)CCC[N@@H+](C(C)C)CC2)cn1 ZINC000086867706 179360595 /nfs/dbraw/zinc/36/05/95/179360595.db2.gz HKTBQYQRBKQKFH-OAHLLOKOSA-N 1 0 265.401 2.071 10 0 CEAERO CCC[N@@H+]1CCC[C@H]([NH+](CC(=O)[O-])CC2CC2)CC1 ZINC000086868690 179361516 /nfs/dbraw/zinc/36/15/16/179361516.db2.gz DPTRZXQJTHESTM-AWEZNQCLSA-N 1 0 268.401 2.048 10 0 CEAERO CCC[C@@H]([NH2+][C@H]1CCC[N@@H+](C(C)C)CC1)C(=O)[O-] ZINC000086868683 179362885 /nfs/dbraw/zinc/36/28/85/179362885.db2.gz OBRSELYIOUEZGO-QWHCGFSZSA-N 1 0 256.390 2.092 10 0 CEAERO [NH3+]C[C@]1(N2CCc3sccc3C2)CCCOCC1 ZINC000086874757 179364613 /nfs/dbraw/zinc/36/46/13/179364613.db2.gz IGVIIVSYIFDRPI-AWEZNQCLSA-N 1 0 266.410 2.004 10 0 CEAERO CC[N@@H+]1CCC[C@@](Nc2ccc(Cl)cc2)(C(N)=O)CC1 ZINC000086849493 179358144 /nfs/dbraw/zinc/35/81/44/179358144.db2.gz CHKKPUPAAWVSOJ-HNNXBMFYSA-N 1 0 295.814 2.482 10 0 CEAERO CC[C@@H](C)N[C@]1(C(=O)OC)CCC[N@@H+](C(C)C)CC1 ZINC000086850499 179358690 /nfs/dbraw/zinc/35/86/90/179358690.db2.gz YAPLAKACIMPNGI-UKRRQHHQSA-N 1 0 270.417 2.181 10 0 CEAERO CCC[NH2+][C@H](CCCS(=O)(=O)CC)C[C@@H]1CCCO1 ZINC000086978857 179372603 /nfs/dbraw/zinc/37/26/03/179372603.db2.gz UIYWVCAQZHKOPC-KGLIPLIRSA-N 1 0 291.457 2.139 10 0 CEAERO CCC[NH2+][C@H](CCCS(=O)(=O)CC)c1ccncc1 ZINC000086978775 179372677 /nfs/dbraw/zinc/37/26/77/179372677.db2.gz IQYPTNHANKCXBM-CQSZACIVSA-N 1 0 284.425 2.337 10 0 CEAERO CC[C@H]1CCC[C@]([NH3+])(CCCS(=O)(=O)CC)C1 ZINC000086977452 179372739 /nfs/dbraw/zinc/37/27/39/179372739.db2.gz XSOPJQJSWBOJCR-STQMWFEESA-N 1 0 261.431 2.499 10 0 CEAERO CCC[NH2+][C@H](CCCS(=O)(=O)CC)Cc1ccccn1 ZINC000086978875 179372746 /nfs/dbraw/zinc/37/27/46/179372746.db2.gz ILSDIVLHDSSOLK-OAHLLOKOSA-N 1 0 298.452 2.207 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH3+])c1cc(F)ccc1C ZINC000086979303 179372997 /nfs/dbraw/zinc/37/29/97/179372997.db2.gz UZDKJBIFZRFFQA-ZDUSSCGKSA-N 1 0 273.373 2.349 10 0 CEAERO CCS(=O)(=O)CCC[C@@H](Cc1cccc(C)c1)[NH2+]C ZINC000086979151 179373447 /nfs/dbraw/zinc/37/34/47/179373447.db2.gz QPKMNTWTWJUFGM-HNNXBMFYSA-N 1 0 283.437 2.340 10 0 CEAERO CC[NH2+]CC1(CCCS(=O)(=O)CC)CCCC1 ZINC000086981036 179373510 /nfs/dbraw/zinc/37/35/10/179373510.db2.gz FNPXKWJUOPUZRU-UHFFFAOYSA-N 1 0 261.431 2.371 10 0 CEAERO CCC1(C)CC[NH+]([C@]2(CN)CCCOCC2)CC1 ZINC000086875761 179365320 /nfs/dbraw/zinc/36/53/20/179365320.db2.gz HPZLKBTVMMFVED-OAHLLOKOSA-N 1 0 254.418 2.397 10 0 CEAERO NC[C@@]1([N@@H+]2CC[C@H](c3ccccc3)C2)CCCOCC1 ZINC000086875619 179365377 /nfs/dbraw/zinc/36/53/77/179365377.db2.gz AZSAOKNZHLXQLX-DLBZAZTESA-N 1 0 274.408 2.374 10 0 CEAERO COCC[NH2+][C@]1(c2nc(C)c(C)s2)CCCOCC1 ZINC000086877145 179365661 /nfs/dbraw/zinc/36/56/61/179365661.db2.gz KPBICCNXODZFDA-CQSZACIVSA-N 1 0 284.425 2.392 10 0 CEAERO CSCC[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000086902982 179366819 /nfs/dbraw/zinc/36/68/19/179366819.db2.gz RNOSHKSZZPJFGW-LLVKDONJSA-N 1 0 261.456 2.384 10 0 CEAERO CC[C@@H]1CCC[C@@H]([NH2+]CCc2nncn2C)CC1 ZINC000086909062 179367107 /nfs/dbraw/zinc/36/71/07/179367107.db2.gz XDRNDKHHCCGIRB-CHWSQXEVSA-N 1 0 250.390 2.306 10 0 CEAERO C[C@@H]1SCCC[C@]1(C[NH3+])NCc1cccs1 ZINC000086946365 179367562 /nfs/dbraw/zinc/36/75/62/179367562.db2.gz JBIBHGAISHYLAE-CMPLNLGQSA-N 1 0 256.440 2.451 10 0 CEAERO CC(C)[C@H]1CCC[C@@H]([NH2+]CCS(C)(=O)=O)CC1 ZINC000086943842 179368189 /nfs/dbraw/zinc/36/81/89/179368189.db2.gz UZRARYXEQCJTJJ-QWHCGFSZSA-N 1 0 261.431 2.226 10 0 CEAERO CC(C)[C@H]1CCC[C@](C[NH3+])(N2CCOCC2)CC1 ZINC000086947840 179368674 /nfs/dbraw/zinc/36/86/74/179368674.db2.gz TZKRDXJIHZFPJQ-GJZGRUSLSA-N 1 0 254.418 2.252 10 0 CEAERO CCC[C@H]1CCC[C@](C[NH3+])(N2CCOCC2)CC1 ZINC000086947846 179368872 /nfs/dbraw/zinc/36/88/72/179368872.db2.gz NUVPDTHTVAGPPP-GJZGRUSLSA-N 1 0 254.418 2.397 10 0 CEAERO COCCCc1nc(C)cc(C[NH2+]C(C)(C)C)n1 ZINC000086971492 179370533 /nfs/dbraw/zinc/37/05/33/179370533.db2.gz OAZJKSZNECEDET-UHFFFAOYSA-N 1 0 251.374 2.252 10 0 CEAERO C[NH2+][C@@H](CCCOC)c1cc(OC)ccc1OC ZINC000086970003 179370792 /nfs/dbraw/zinc/37/07/92/179370792.db2.gz ADQIWTLIBKITSE-ZDUSSCGKSA-N 1 0 253.342 2.391 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C ZINC000086976423 179371980 /nfs/dbraw/zinc/37/19/80/179371980.db2.gz HJASBIOLJSHLCB-UPJWGTAASA-N 1 0 261.431 2.226 10 0 CEAERO CCS(=O)(=O)CCC[C@](C)([NH3+])c1ccc(C)cc1 ZINC000086977323 179372055 /nfs/dbraw/zinc/37/20/55/179372055.db2.gz OKNVCBIMTYJVKO-AWEZNQCLSA-N 1 0 269.410 2.384 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]1Cc2ccccc2[C@H]1[NH2+]C ZINC000086976322 179372061 /nfs/dbraw/zinc/37/20/61/179372061.db2.gz MLYFCRUCDQUQTQ-HIFRSBDPSA-N 1 0 281.421 2.334 10 0 CEAERO CCS(=O)(=O)CCC[C@@](C)([NH3+])c1ccc(C)cc1 ZINC000086977325 179372114 /nfs/dbraw/zinc/37/21/14/179372114.db2.gz OKNVCBIMTYJVKO-CQSZACIVSA-N 1 0 269.410 2.384 10 0 CEAERO CCC[C@@H](CC[NH3+])CCC(=O)NCC(O)(CC)CC ZINC000087027261 179381999 /nfs/dbraw/zinc/38/19/99/179381999.db2.gz PBNPNSSHHZILKU-CYBMUJFWSA-N 1 0 272.433 2.199 10 0 CEAERO CC[C@@](C)(O)C[NH2+]Cc1c(C)nc2scc(C)n12 ZINC000087012826 179379650 /nfs/dbraw/zinc/37/96/50/179379650.db2.gz PUXRPDLVIKVRDI-CYBMUJFWSA-N 1 0 267.398 2.263 10 0 CEAERO Cc1cc(C(=O)NCC[C@@H](C)[NH3+])sc1Br ZINC000087018515 179381204 /nfs/dbraw/zinc/38/12/04/179381204.db2.gz XSHIWOPQXCKHJI-SSDOTTSWSA-N 1 0 291.214 2.286 10 0 CEAERO CC[C@](C)(O)C[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000087027798 179381808 /nfs/dbraw/zinc/38/18/08/179381808.db2.gz WEVHGMMCKWAWHW-OLZOCXBDSA-N 1 0 291.313 2.489 10 0 CEAERO C[NH2+][C@@H](CCc1cccs1)[C@@H]1CSCCO1 ZINC000086988591 179374651 /nfs/dbraw/zinc/37/46/51/179374651.db2.gz TXUBNMSDXFKZKJ-RYUDHWBXSA-N 1 0 257.424 2.401 10 0 CEAERO C[C@H]1CCC[C@H](CNC(=O)c2c(F)cc(F)cc2F)[NH2+]1 ZINC000086996403 179376913 /nfs/dbraw/zinc/37/69/13/179376913.db2.gz TWJAUMVVVMVHTH-WCBMZHEXSA-N 1 0 286.297 2.364 10 0 CEAERO CCC1CCC(O)(C[NH2+][C@H](C)c2cnn(C)c2)CC1 ZINC000087052944 179388905 /nfs/dbraw/zinc/38/89/05/179388905.db2.gz XCHHSTQYEQDICT-DNOWBOINSA-N 1 0 265.401 2.402 10 0 CEAERO COCC[NH2+]Cc1cc(C)nc(CSC(C)C)n1 ZINC000087114732 179395211 /nfs/dbraw/zinc/39/52/11/179395211.db2.gz UUERBPDGABPWKP-UHFFFAOYSA-N 1 0 269.414 2.163 10 0 CEAERO CC(C)C[NH2+]Cc1cc(=O)[nH]c(CSC(C)C)n1 ZINC000087115470 179395241 /nfs/dbraw/zinc/39/52/41/179395241.db2.gz FMOSCIRPRQJQOL-UHFFFAOYSA-N 1 0 269.414 2.157 10 0 CEAERO C[NH2+][C@H](CSC(C)(C)C)Cc1cnccc1N ZINC000087117748 179395598 /nfs/dbraw/zinc/39/55/98/179395598.db2.gz CVLTZGLWFHPCJT-NSHDSACASA-N 1 0 253.415 2.326 10 0 CEAERO Cc1nc(C[NH2+]C[C@]2(O)CCC[C@@H](C)C2)oc1C ZINC000087065470 179389968 /nfs/dbraw/zinc/38/99/68/179389968.db2.gz RWJIITTXUDDDIR-YGRLFVJLSA-N 1 0 252.358 2.322 10 0 CEAERO Cc1ccc(NC(=O)C[NH2+]C[C@@]2(O)CCC[C@@H](C)C2)cc1 ZINC000087064546 179390035 /nfs/dbraw/zinc/39/00/35/179390035.db2.gz MAAUJNGLBNLGNU-RHSMWYFYSA-N 1 0 290.407 2.464 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)NCC2(C)CCCC2)C1 ZINC000066701089 362881014 /nfs/dbraw/zinc/88/10/14/362881014.db2.gz CIWYXULEAXFEDL-ZDUSSCGKSA-N 1 0 267.417 2.350 10 0 CEAERO CC[C@@H]1C[NH2+]C[C@H](c2cc(OC)cc(OC)c2)O1 ZINC000087090352 179394120 /nfs/dbraw/zinc/39/41/20/179394120.db2.gz WCDKJMJHDYUXNH-BXUZGUMPSA-N 1 0 251.326 2.143 10 0 CEAERO COc1ccc(C[C@@]2(C)C[NH2+]C[C@H](C)O2)cc1OC ZINC000087090084 179394148 /nfs/dbraw/zinc/39/41/48/179394148.db2.gz OCIFCVOTWUUGFU-NHYWBVRUSA-N 1 0 265.353 2.013 10 0 CEAERO CC[C@H](C)SC[C@H](Cc1ccnc(N)c1)[NH2+]C ZINC000087135663 179396628 /nfs/dbraw/zinc/39/66/28/179396628.db2.gz OEVOOQAXXSAVAI-JQWIXIFHSA-N 1 0 253.415 2.326 10 0 CEAERO C(SC1CCCC1)c1noc([C@H]2CC[NH2+]C2)n1 ZINC000087142422 179397178 /nfs/dbraw/zinc/39/71/78/179397178.db2.gz HIAFTHZMQMXLDQ-VIFPVBQESA-N 1 0 253.371 2.322 10 0 CEAERO COc1c(C)c[nH+]c(C[C@H](O)CCSC)c1C ZINC000087181612 179399340 /nfs/dbraw/zinc/39/93/40/179399340.db2.gz YLBJUPQQYYPFRT-LLVKDONJSA-N 1 0 255.383 2.364 10 0 CEAERO CCOCCCOc1ccc(C[NH3+])cc1OCC ZINC000087324274 179412719 /nfs/dbraw/zinc/41/27/19/179412719.db2.gz KAEYDJGWIIDFJD-UHFFFAOYSA-N 1 0 253.342 2.349 10 0 CEAERO C[C@@H]1c2cccn2CCN1Cc1cnn2cccnc12 ZINC000067740536 362921700 /nfs/dbraw/zinc/92/17/00/362921700.db2.gz RRKWSJPWXSEPPR-GFCCVEGCSA-N 1 0 267.336 2.108 10 0 CEAERO Cc1nc(-c2ccn(C)n2)nc(C)c1CCC[NH2+]C(C)C ZINC000087426326 179424414 /nfs/dbraw/zinc/42/44/14/179424414.db2.gz CMTPSJXRJIYOKW-UHFFFAOYSA-N 1 0 287.411 2.425 10 0 CEAERO [NH3+]C[C@@H](NC(=O)c1cccn1Cc1ccccc1)C1CC1 ZINC000087383818 539640271 /nfs/dbraw/zinc/64/02/71/539640271.db2.gz CSPYUTDRDKGQRP-OAHLLOKOSA-N 1 0 283.375 2.004 10 0 CEAERO CC(C)n1cc(NC(=O)C(C)(C)C(C)(C)[NH3+])cn1 ZINC000087629613 179459159 /nfs/dbraw/zinc/45/91/59/179459159.db2.gz FNLJLSGECDWPBN-UHFFFAOYSA-N 1 0 252.362 2.166 10 0 CEAERO [NH3+]CC[C@@H]1CCCCN1c1nc(C2CC2)ns1 ZINC000087642745 179462308 /nfs/dbraw/zinc/46/23/08/179462308.db2.gz MZGFRTKDRFGNQA-JTQLQIEISA-N 1 0 252.387 2.123 10 0 CEAERO CCN(c1nc(C(C)C)ns1)[C@H]1CCC[NH2+]C1 ZINC000087642697 179462353 /nfs/dbraw/zinc/46/23/53/179462353.db2.gz FTSFFUYIJPCFBS-JTQLQIEISA-N 1 0 254.403 2.240 10 0 CEAERO CCc1nsc(N2CCCC[C@@H]2C[NH2+]C(C)C)n1 ZINC000087643802 179462929 /nfs/dbraw/zinc/46/29/29/179462929.db2.gz KFMGOUXUMCKJPU-LLVKDONJSA-N 1 0 268.430 2.457 10 0 CEAERO O[C@H](c1occc1Br)[C@@H]1CCC[NH2+]C1 ZINC000087650525 179463306 /nfs/dbraw/zinc/46/33/06/179463306.db2.gz OHYNOHRSBWCNMT-APPZFPTMSA-N 1 0 260.131 2.075 10 0 CEAERO O[C@@H](Cc1sccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000087650648 179463604 /nfs/dbraw/zinc/46/36/04/179463604.db2.gz YENYIRIORPXSOF-SCZZXKLOSA-N 1 0 290.226 2.414 10 0 CEAERO C[C@H]([NH3+])CCC[C@H](C)C(=O)N[C@@H]1CCCc2c1cnn2C ZINC000087694317 179470930 /nfs/dbraw/zinc/47/09/30/179470930.db2.gz AQHLWTAHIZPQAR-SGMGOOAPSA-N 1 0 292.427 2.067 10 0 CEAERO C[C@@H]([NH3+])CCC[C@H](C)C(=O)Nc1ccc(O)cc1 ZINC000087694144 179471142 /nfs/dbraw/zinc/47/11/42/179471142.db2.gz DTGDMZXMZZGDPY-WDEREUQCSA-N 1 0 250.342 2.484 10 0 CEAERO Cc1noc(C)c1CN(C)C(=O)[C@@H](C)CCC[C@H](C)[NH3+] ZINC000087696685 179471506 /nfs/dbraw/zinc/47/15/06/179471506.db2.gz CZJOHYDWTFCDMZ-QWRGUYRKSA-N 1 0 281.400 2.403 10 0 CEAERO CCC(CC)N(CCO)C(=O)[C@@H](C)CCC[C@@H](C)[NH3+] ZINC000087700318 179472839 /nfs/dbraw/zinc/47/28/39/179472839.db2.gz YVICQTQIULJVCQ-QWHCGFSZSA-N 1 0 272.433 2.150 10 0 CEAERO C[NH2+]Cc1cc(C)c(Cl)nc1I ZINC000616222621 348462055 /nfs/dbraw/zinc/46/20/55/348462055.db2.gz ZJBDVPDKMAFHLE-UHFFFAOYSA-N 1 0 296.539 2.367 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)N[C@H](C)c1ccc(OC)c(F)c1 ZINC000087519846 179439812 /nfs/dbraw/zinc/43/98/12/179439812.db2.gz CSXKAUSPCUBIER-PWSUYJOCSA-N 1 0 282.359 2.387 10 0 CEAERO CC[C@H](C[NH3+])C(=O)N(Cc1ccccc1F)C1CC1 ZINC000087524670 179440745 /nfs/dbraw/zinc/44/07/45/179440745.db2.gz ZLBMHBGKFUNYPQ-LLVKDONJSA-N 1 0 264.344 2.302 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N(C)CCOc1cccc(F)c1 ZINC000087526654 179441049 /nfs/dbraw/zinc/44/10/49/179441049.db2.gz YHEYLSQIYZJLHO-GFCCVEGCSA-N 1 0 282.359 2.038 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)NCC(C)(C)c1ccccc1 ZINC000087528619 179441420 /nfs/dbraw/zinc/44/14/20/179441420.db2.gz SBUYJYSRKYESJP-CYBMUJFWSA-N 1 0 262.397 2.455 10 0 CEAERO CC[C@H](C[NH3+])C(=O)NCCCn1ccc2ccccc21 ZINC000087531651 179441703 /nfs/dbraw/zinc/44/17/03/179441703.db2.gz MTJHMMYOCDVVEN-CYBMUJFWSA-N 1 0 273.380 2.133 10 0 CEAERO CC(C)[C@@H](C[NH3+])C(=O)NCc1cc2c(s1)CCC2 ZINC000087530899 179441716 /nfs/dbraw/zinc/44/17/16/179441716.db2.gz URHSQKRIHJZWNP-GFCCVEGCSA-N 1 0 266.410 2.084 10 0 CEAERO CC(C)(C)[N@@H+]1CCN[C@@H](c2ccc3ccnnc3c2)C1 ZINC000616631811 348541333 /nfs/dbraw/zinc/54/13/33/348541333.db2.gz DWGLAUVWAHHTMT-OAHLLOKOSA-N 1 0 270.380 2.375 10 0 CEAERO CC(C)(C)N1CC[NH2+]C[C@H]1c1ccc2nnccc2c1 ZINC000616635768 348542440 /nfs/dbraw/zinc/54/24/40/348542440.db2.gz LYFJBYPEIHWQLY-HNNXBMFYSA-N 1 0 270.380 2.375 10 0 CEAERO CC(C)(C)[N@@H+]1CCOC[C@@H]1c1ccccc1CCO ZINC000616638454 348542996 /nfs/dbraw/zinc/54/29/96/348542996.db2.gz TZQXEZRAANPUGW-OAHLLOKOSA-N 1 0 263.381 2.393 10 0 CEAERO CC[N@@H+]1CCCOC[C@H]1c1cc2ccccc2nn1 ZINC000616649043 348546998 /nfs/dbraw/zinc/54/69/98/348546998.db2.gz JVUVIEUYCJVDIK-HNNXBMFYSA-N 1 0 257.337 2.413 10 0 CEAERO CCC[NH2+][C@@H](Cc1cnn(CC)c1)[C@@H]1CCCOC1 ZINC000087815151 179491335 /nfs/dbraw/zinc/49/13/35/179491335.db2.gz FDMOATOTHOBRRV-CABCVRRESA-N 1 0 265.401 2.240 10 0 CEAERO c1cnc2sc(CCOC3CC[NH2+]CC3)nc2c1 ZINC000087819237 179493267 /nfs/dbraw/zinc/49/32/67/179493267.db2.gz GKSCJCPBRZWAPF-UHFFFAOYSA-N 1 0 263.366 2.002 10 0 CEAERO CC[NH2+][C@H](Cc1ccc(F)cc1Cl)[C@@H]1COCCO1 ZINC000087857891 179502179 /nfs/dbraw/zinc/50/21/79/179502179.db2.gz DPWBFBKFQBXOAZ-KGLIPLIRSA-N 1 0 287.762 2.415 10 0 CEAERO C/C=C(/C)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccccc1 ZINC000616569766 348523440 /nfs/dbraw/zinc/52/34/40/348523440.db2.gz JYTQTTJOIRLDFS-WSZVKGPWSA-N 1 0 258.365 2.215 10 0 CEAERO CCC[NH2+][C@H](Cc1cccs1)[C@@H]1COCCO1 ZINC000087858395 179502868 /nfs/dbraw/zinc/50/28/68/179502868.db2.gz KZDNANIGJNVSQL-OLZOCXBDSA-N 1 0 255.383 2.074 10 0 CEAERO CC(C)C[C@H]1CCN(C(=O)C2CCCC2)C[C@H]1[NH3+] ZINC000616571823 348524064 /nfs/dbraw/zinc/52/40/64/348524064.db2.gz SFTPVVLYZQBAMH-ZIAGYGMSSA-N 1 0 252.402 2.399 10 0 CEAERO CC(C)CC(=O)N1CC[C@@H](c2ccccc2)[C@@H]([NH3+])C1 ZINC000616572044 348524328 /nfs/dbraw/zinc/52/43/28/348524328.db2.gz SZUGGSFDEHKERI-GJZGRUSLSA-N 1 0 260.381 2.376 10 0 CEAERO C[NH2+][C@H](c1cncc(F)c1)[C@@H]1COc2ccccc2O1 ZINC000087859729 179503519 /nfs/dbraw/zinc/50/35/19/179503519.db2.gz LVJCKXRGMMNOGG-LSDHHAIUSA-N 1 0 274.295 2.321 10 0 CEAERO CCC[NH2+][C@H]1CCCc2c1cnn2-c1ccc(C)nn1 ZINC000087862369 179504222 /nfs/dbraw/zinc/50/42/22/179504222.db2.gz HIKGJKLQIPBFOV-ZDUSSCGKSA-N 1 0 271.368 2.348 10 0 CEAERO C[C@@H](c1cccs1)N(C)c1nc(NN)[nH+]cc1F ZINC000087866183 179505272 /nfs/dbraw/zinc/50/52/72/179505272.db2.gz YMQCKJODMIHEGX-ZETCQYMHSA-N 1 0 267.333 2.160 10 0 CEAERO CC(C)[N@@H+]1CCO[C@@H](N(C)C(=O)OC(C)(C)C)CC1 ZINC000616594932 348528385 /nfs/dbraw/zinc/52/83/85/348528385.db2.gz SCZPOHPTQMBQRU-GFCCVEGCSA-N 1 0 272.389 2.310 10 0 CEAERO CC(C)(C)[N@@H+]1CCO[C@@H](c2ccccc2C(N)=O)CC1 ZINC000616593970 348528480 /nfs/dbraw/zinc/52/84/80/348528480.db2.gz BQKSFQHLOOBFFL-CQSZACIVSA-N 1 0 276.380 2.347 10 0 CEAERO CC(C)[N@@H+]1CCOCC[C@@H]1c1ccc(CCO)cc1 ZINC000616597548 348529256 /nfs/dbraw/zinc/52/92/56/348529256.db2.gz AZFHQWQFYHRUEO-MRXNPFEDSA-N 1 0 263.381 2.393 10 0 CEAERO CC[N@@H+]1CCCO[C@@H](c2cccc(NC(C)=O)c2)C1 ZINC000616599514 348530569 /nfs/dbraw/zinc/53/05/69/348530569.db2.gz VYOFTKSEDZGTHW-OAHLLOKOSA-N 1 0 262.353 2.428 10 0 CEAERO CCOC(=O)c1ccccc1[C@H]1CCC[N@H+](CCO)CC1 ZINC000616602130 348531364 /nfs/dbraw/zinc/53/13/64/348531364.db2.gz XKBFFZFWIARXSG-AWEZNQCLSA-N 1 0 291.391 2.425 10 0 CEAERO CCOC(=O)c1ccc([C@@H]2CCCCN(CC[NH3+])C2)cc1 ZINC000616605660 348532504 /nfs/dbraw/zinc/53/25/04/348532504.db2.gz SXZITKXJTFZLOU-MRXNPFEDSA-N 1 0 290.407 2.392 10 0 CEAERO [NH3+]CCN1CCCC[C@H](c2cccc3nnccc32)C1 ZINC000616605292 348532886 /nfs/dbraw/zinc/53/28/86/348532886.db2.gz YDJFOJQLECYQRR-ZDUSSCGKSA-N 1 0 270.380 2.158 10 0 CEAERO CCCOc1ccc(C[C@H](C)[NH3+])c(OCOC)c1 ZINC000087888339 179512046 /nfs/dbraw/zinc/51/20/46/179512046.db2.gz XKXOELWEDJJTMN-NSHDSACASA-N 1 0 253.342 2.348 10 0 CEAERO OCC[N@@H+]1CCCC[C@@H]1c1cccc2nnccc21 ZINC000616614127 348534788 /nfs/dbraw/zinc/53/47/88/348534788.db2.gz JFWZZRDNRLNKAE-OAHLLOKOSA-N 1 0 257.337 2.149 10 0 CEAERO c1cc([C@@H]2COCC[N@@H+](Cc3ccccc3)C2)n[nH]1 ZINC000616658858 348551418 /nfs/dbraw/zinc/55/14/18/348551418.db2.gz GFPZZTOWERJPJY-AWEZNQCLSA-N 1 0 257.337 2.026 10 0 CEAERO Nc1n[nH]cc1[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000616618069 348536043 /nfs/dbraw/zinc/53/60/43/348536043.db2.gz IXMCAXXDGKEUSU-CYBMUJFWSA-N 1 0 256.353 2.202 10 0 CEAERO CCOC(=O)c1ccc([C@@H]2CCCN(CC[NH3+])C2)cc1 ZINC000616619707 348536607 /nfs/dbraw/zinc/53/66/07/348536607.db2.gz AINJLXBCLBWKLD-OAHLLOKOSA-N 1 0 276.380 2.001 10 0 CEAERO CCCc1c(NC[C@H]2CCCS2)nc[nH+]c1NN ZINC000087896104 179515528 /nfs/dbraw/zinc/51/55/28/179515528.db2.gz FOVVIVUQWKNGIM-SECBINFHSA-N 1 0 267.402 2.022 10 0 CEAERO COc1ccc(CCN(C)c2cc[nH+]cc2N)cc1 ZINC000088102766 179549021 /nfs/dbraw/zinc/54/90/21/179549021.db2.gz QWGMQOVXGJJYTK-UHFFFAOYSA-N 1 0 257.337 2.351 10 0 CEAERO CC[C@H]([NH3+])c1cnn(CCc2ccc3c(c2)CCO3)c1 ZINC000088106286 179549731 /nfs/dbraw/zinc/54/97/31/179549731.db2.gz WLDQDOLPZGONTF-HNNXBMFYSA-N 1 0 271.364 2.471 10 0 CEAERO NC(=O)c1cccc([C@H]2CCc3ccccc3N2CC[NH3+])c1 ZINC000616669228 348555087 /nfs/dbraw/zinc/55/50/87/348555087.db2.gz OIZVDKVBZKETJJ-QGZVFWFLSA-N 1 0 295.386 2.238 10 0 CEAERO [NH3+]CCN1CC[C@@H](c2ccccn2)c2ccccc21 ZINC000616674255 348556512 /nfs/dbraw/zinc/55/65/12/348556512.db2.gz GRURWDLNAIMTHY-CYBMUJFWSA-N 1 0 253.349 2.382 10 0 CEAERO CC(C)(C)[N@@H+]1CCO[C@H](c2cccc(C(N)=O)c2)CC1 ZINC000616684139 348560172 /nfs/dbraw/zinc/56/01/72/348560172.db2.gz DMDITSBSHFLCKW-AWEZNQCLSA-N 1 0 276.380 2.347 10 0 CEAERO [NH3+]CCN1C[C@@H](c2ccccn2)Nc2ccccc21 ZINC000616692730 348562631 /nfs/dbraw/zinc/56/26/31/348562631.db2.gz OGIPOFZLWGGTQH-AWEZNQCLSA-N 1 0 254.337 2.014 10 0 CEAERO C[C@@H]([NH2+]CCN(C)CCc1ccccc1)[C@@H]1CCCO1 ZINC000088243361 179569448 /nfs/dbraw/zinc/56/94/48/179569448.db2.gz JSNZFOFULXBSBD-WBVHZDCISA-N 1 0 276.424 2.318 10 0 CEAERO CO[C@@H]1CCC[C@@H](OC(=O)C[C@@H](C[NH3+])CC(C)C)C1 ZINC000088273566 179573270 /nfs/dbraw/zinc/57/32/70/179573270.db2.gz HMSTYACDDDLJKB-BFHYXJOUSA-N 1 0 271.401 2.498 10 0 CEAERO COc1ccc(OCCn2nc(C)c(CC[NH3+])c2C)cc1 ZINC000088414954 179595593 /nfs/dbraw/zinc/59/55/93/179595593.db2.gz ZUFFVQDYYSZUCM-UHFFFAOYSA-N 1 0 289.379 2.089 10 0 CEAERO C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000088449211 179605224 /nfs/dbraw/zinc/60/52/24/179605224.db2.gz JSSSTMYTCHKHGB-OBJOEFQTSA-N 1 0 258.365 2.210 10 0 CEAERO CCN(Cc1ccccc1)C(=O)[C@H]1C[NH2+]C[C@H](C)C1 ZINC000088449821 179605826 /nfs/dbraw/zinc/60/58/26/179605826.db2.gz WTJFOARICCLXKS-UKRRQHHQSA-N 1 0 260.381 2.281 10 0 CEAERO C[C@H]1CCC[C@H]([NH2+]CCn2c(=O)oc3cccnc32)C1 ZINC000088397148 179591935 /nfs/dbraw/zinc/59/19/35/179591935.db2.gz OTZQQMFSRASNPC-RYUDHWBXSA-N 1 0 275.352 2.158 10 0 CEAERO CC(C)CCC[NH2+]CCn1c(=O)oc2cccnc21 ZINC000088397212 179592317 /nfs/dbraw/zinc/59/23/17/179592317.db2.gz RPEJQUUTVOYAHW-UHFFFAOYSA-N 1 0 263.341 2.015 10 0 CEAERO CC[NH2+][C@H](Cc1ncnn1C)Cc1ccc(F)cc1Cl ZINC000088582127 179629523 /nfs/dbraw/zinc/62/95/23/179629523.db2.gz MCLOTVPXHWOPMR-LBPRGKRZSA-N 1 0 296.777 2.371 10 0 CEAERO CCCn1ncnc1CN(CC)C1(C[NH3+])CCC(C)CC1 ZINC000088585943 179631446 /nfs/dbraw/zinc/63/14/46/179631446.db2.gz AFGJMQLJHFALNY-UHFFFAOYSA-N 1 0 293.459 2.418 10 0 CEAERO CCCn1ncnc1C[C@H](Cc1cccs1)[NH2+]C ZINC000088611635 179638398 /nfs/dbraw/zinc/63/83/98/179638398.db2.gz ILPWPWGPPMSHHT-NSHDSACASA-N 1 0 264.398 2.123 10 0 CEAERO C[NH2+][C@@H](CSCC(C)C)Cc1ncnn1CC(C)C ZINC000088612794 179639910 /nfs/dbraw/zinc/63/99/10/179639910.db2.gz LQDIELMLSCVLJZ-CYBMUJFWSA-N 1 0 284.473 2.454 10 0 CEAERO CCC[C@@H]1CN(Cc2ncnn2C(C)C)C(C)(C)C[NH2+]1 ZINC000088625159 179641698 /nfs/dbraw/zinc/64/16/98/179641698.db2.gz AVAYNUXNYGAZAR-CYBMUJFWSA-N 1 0 279.432 2.212 10 0 CEAERO CC(C)Cn1ncnc1CN1C[C@@H](C(C)C)[NH2+]CC1(C)C ZINC000088625206 179642285 /nfs/dbraw/zinc/64/22/85/179642285.db2.gz AHVWHTAUPAXDHM-AWEZNQCLSA-N 1 0 293.459 2.143 10 0 CEAERO CC[C@@H]1CN(Cc2ncnn2CC)C(CC)(CC)C[NH2+]1 ZINC000088625384 179642605 /nfs/dbraw/zinc/64/26/05/179642605.db2.gz OMLLHIMNDFPAEY-CYBMUJFWSA-N 1 0 279.432 2.041 10 0 CEAERO CCCn1ncnc1C[C@@]1(C[NH3+])CC[C@@H](CC)C1 ZINC000088626901 179643034 /nfs/dbraw/zinc/64/30/34/179643034.db2.gz XWCXBVYRTXLGRV-TZMCWYRMSA-N 1 0 250.390 2.386 10 0 CEAERO CC[C@]1(C)C[NH2+][C@@H](C2CC2)CN1Cc1ncnn1C(C)C ZINC000088625787 179643080 /nfs/dbraw/zinc/64/30/80/179643080.db2.gz ZTFRMJHFRQTPRH-GDBMZVCRSA-N 1 0 291.443 2.212 10 0 CEAERO [NH3+]C1CCC(C(=O)N2CCC[C@H]3CCC[C@@H]32)CC1 ZINC000087769566 539662678 /nfs/dbraw/zinc/66/26/78/539662678.db2.gz ABRGXLMUICGCFB-RYSNWHEDSA-N 1 0 250.386 2.295 10 0 CEAERO C[C@@H]1CCCCC[C@H]1[NH2+]C1CCS(=O)(=O)CC1 ZINC000088505972 179615588 /nfs/dbraw/zinc/61/55/88/179615588.db2.gz REALWROTKZUATQ-DGCLKSJQSA-N 1 0 259.415 2.122 10 0 CEAERO C[C@@H]1CCCCC[C@@H]1NC(=O)c1ccc(NN)[nH+]c1 ZINC000088517770 179617670 /nfs/dbraw/zinc/61/76/70/179617670.db2.gz ZIQMWZLPJKOAAH-PWSUYJOCSA-N 1 0 262.357 2.066 10 0 CEAERO Cn1cc([C@@H]([NH3+])Cc2ccnc3ccccc23)cn1 ZINC000088530904 179618367 /nfs/dbraw/zinc/61/83/67/179618367.db2.gz SKCGHRZNWIKLRK-AWEZNQCLSA-N 1 0 252.321 2.211 10 0 CEAERO CC(C)C[NH2+]CCN(C)Cc1ccncc1Cl ZINC000088781889 179671970 /nfs/dbraw/zinc/67/19/70/179671970.db2.gz WCUWILNINHFGHH-UHFFFAOYSA-N 1 0 255.793 2.412 10 0 CEAERO CCC[NH2+][C@H](COCC)Cc1ccn(C(C)C)n1 ZINC000088738654 179661711 /nfs/dbraw/zinc/66/17/11/179661711.db2.gz IMRHGZLEFGCFKR-AWEZNQCLSA-N 1 0 253.390 2.411 10 0 CEAERO CCc1nc(CC)n(CCCC[C@](C)(CO)[NH2+]C(C)C)n1 ZINC000088746323 179663311 /nfs/dbraw/zinc/66/33/11/179663311.db2.gz DCLPEFJNJFCKHQ-MRXNPFEDSA-N 1 0 296.459 2.322 10 0 CEAERO O=S1(=O)C[C@H]([NH2+][C@H]2CC=CCC2)c2ccccc21 ZINC000088747995 179664085 /nfs/dbraw/zinc/66/40/85/179664085.db2.gz MENVHYHQQFGNCC-AAEUAGOBSA-N 1 0 263.362 2.213 10 0 CEAERO CCC[NH2+]C1(Cc2cc(CC(C)C)on2)COC1 ZINC000067898222 362930534 /nfs/dbraw/zinc/93/05/34/362930534.db2.gz MLYNZJBQNCNWES-UHFFFAOYSA-N 1 0 252.358 2.184 10 0 CEAERO CC[C@H](C)NS(=O)(=O)c1ccc(CC[NH2+]C2CC2)cc1 ZINC000088977940 179689356 /nfs/dbraw/zinc/68/93/56/179689356.db2.gz AZOAQCVPQRKVNE-LBPRGKRZSA-N 1 0 296.436 2.058 10 0 CEAERO C[NH2+]Cc1ccccc1S(=O)(=O)N(C)[C@H](C)C(C)(C)C ZINC000089007332 179690872 /nfs/dbraw/zinc/69/08/72/179690872.db2.gz HPQSSZGICCCDPK-GFCCVEGCSA-N 1 0 298.452 2.461 10 0 CEAERO CCC1CCC(N(C)S(=O)(=O)c2c[nH]c(C[NH3+])c2)CC1 ZINC000088996618 179691182 /nfs/dbraw/zinc/69/11/82/179691182.db2.gz YZPJQDQKQNEGRR-UHFFFAOYSA-N 1 0 299.440 2.063 10 0 CEAERO CC[NH2+]CCCS(=O)(=O)N1CCC(C(C)(C)C)CC1 ZINC000089021529 179691802 /nfs/dbraw/zinc/69/18/02/179691802.db2.gz UYFXGCILXMDURO-UHFFFAOYSA-N 1 0 290.473 2.074 10 0 CEAERO C(Cc1nnc(CC[C@@H]2CCCCO2)s1)[NH2+]C1CC1 ZINC000088823560 179678865 /nfs/dbraw/zinc/67/88/65/179678865.db2.gz RVKMPLZCUYLSOJ-LBPRGKRZSA-N 1 0 281.425 2.334 10 0 CEAERO C[C@@H]1CCC[C@@](CO)([NH2+]CCOC(F)(F)F)C1 ZINC000089051808 179694279 /nfs/dbraw/zinc/69/42/79/179694279.db2.gz WJNGUDJBIQTWKI-NXEZZACHSA-N 1 0 255.280 2.054 10 0 CEAERO COc1cc(C[NH3+])cc(OC)c1OCCOC(F)(F)F ZINC000089051362 179694397 /nfs/dbraw/zinc/69/43/97/179694397.db2.gz KUQTXMYAJCJJEA-UHFFFAOYSA-N 1 0 295.257 2.078 10 0 CEAERO CC(C)C[NH2+]Cc1ccn(-c2ccc3c(c2)OCCO3)n1 ZINC000089059477 179695570 /nfs/dbraw/zinc/69/55/70/179695570.db2.gz CZKLDZOSPDHNKB-UHFFFAOYSA-N 1 0 287.363 2.389 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc2cc[nH]c2c1 ZINC000089091457 179699386 /nfs/dbraw/zinc/69/93/86/179699386.db2.gz TVXUTIXPGCIFJJ-STQMWFEESA-N 1 0 257.337 2.025 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C[C@@H]1CCO[C@@H]1C ZINC000233948565 539686187 /nfs/dbraw/zinc/68/61/87/539686187.db2.gz MWLFFIKNGAOCLF-QKPAOTATSA-N 1 0 266.429 2.360 10 0 CEAERO CCOC(=O)c1cccnc1N[C@H]1CCCC[C@H]1C[NH3+] ZINC000089108404 179704454 /nfs/dbraw/zinc/70/44/54/179704454.db2.gz UOPNVQRGVMLRFZ-AAEUAGOBSA-N 1 0 277.368 2.188 10 0 CEAERO CN(C(=O)c1c[nH]c2ccccc12)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089110643 179705186 /nfs/dbraw/zinc/70/51/86/179705186.db2.gz XJLRQTIRCBWEOJ-ABAIWWIYSA-N 1 0 271.364 2.367 10 0 CEAERO CN(C(=O)Nc1ccccc1F)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089111356 179705847 /nfs/dbraw/zinc/70/58/47/179705847.db2.gz AACVNMTWHQCLMP-MFKMUULPSA-N 1 0 265.332 2.417 10 0 CEAERO Cc1cc(C(=O)N(C)[C@@H]2CCC[C@H]2C[NH3+])c(C)o1 ZINC000089110996 179705876 /nfs/dbraw/zinc/70/58/76/179705876.db2.gz HQKMWWBOXQXFAG-WCQYABFASA-N 1 0 250.342 2.096 10 0 CEAERO CC1(C)CCCN(S(=O)(=O)c2cc(C[NH3+])cs2)C1 ZINC000089040051 179693446 /nfs/dbraw/zinc/69/34/46/179693446.db2.gz JPYFTPNSHLHNJJ-UHFFFAOYSA-N 1 0 288.438 2.018 10 0 CEAERO CN(CC(=O)N1CCCCCCC1)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089132792 179713731 /nfs/dbraw/zinc/71/37/31/179713731.db2.gz ZIAWILTXPMZREC-CVEARBPZSA-N 1 0 295.471 2.228 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1cc2ccccc2[nH]1 ZINC000089091502 539688820 /nfs/dbraw/zinc/68/88/20/539688820.db2.gz APAHWGYBYVFGNC-DGCLKSJQSA-N 1 0 257.337 2.025 10 0 CEAERO CCN(C(=O)c1cc(Cl)cn1C)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089114573 179709347 /nfs/dbraw/zinc/70/93/47/179709347.db2.gz WOFXRVDMPIGGPX-PWSUYJOCSA-N 1 0 283.803 2.268 10 0 CEAERO CCCCN(C)c1nc2sccn2c1CC[NH3+] ZINC000104280065 185953638 /nfs/dbraw/zinc/95/36/38/185953638.db2.gz OUZZHDWFVVMIRU-UHFFFAOYSA-N 1 0 252.387 2.133 10 0 CEAERO COCCOc1cccc(N[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089150020 179725452 /nfs/dbraw/zinc/72/54/52/179725452.db2.gz LQLPLCCAFPJLJV-IUODEOHRSA-N 1 0 264.369 2.251 10 0 CEAERO C[C@H]([NH2+]C[C@H]1CCC[C@@H]1O)c1ccc2c(c1)CCO2 ZINC000089163102 179731658 /nfs/dbraw/zinc/73/16/58/179731658.db2.gz QKEYBTAGEGZGFE-GLQYFDAESA-N 1 0 261.365 2.433 10 0 CEAERO CCn1nc(C[C@@]2(C[NH3+])CCC[C@@H]2O)c2ccccc21 ZINC000089180490 179744451 /nfs/dbraw/zinc/74/44/51/179744451.db2.gz WILYMFXQZCGHOA-JKSUJKDBSA-N 1 0 273.380 2.089 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCCc2ccccc2C1 ZINC000089462195 539719190 /nfs/dbraw/zinc/71/91/90/539719190.db2.gz NVNKMDVBIDAVFE-HOCLYGCPSA-N 1 0 272.392 2.336 10 0 CEAERO Cc1nn(C)c(CO[C@@H]2CCC[C@@H]2C[NH3+])c1Cl ZINC000089234927 179759286 /nfs/dbraw/zinc/75/92/86/179759286.db2.gz CLZZNWGHLAZYOI-MWLCHTKSSA-N 1 0 257.765 2.026 10 0 CEAERO CCOc1ccc(OCC[N@@H+]2C[C@H](C)C[C@H](O)C2)cc1 ZINC000401494163 233182486 /nfs/dbraw/zinc/18/24/86/233182486.db2.gz ISJNVKSXWSUJMZ-KGLIPLIRSA-N 1 0 279.380 2.167 10 0 CEAERO CCc1cc(C[C@@H]([NH3+])c2ccc(OC)c(OC)c2)n(C)n1 ZINC000089192516 179749774 /nfs/dbraw/zinc/74/97/74/179749774.db2.gz XNUABEIBSXPDKY-CQSZACIVSA-N 1 0 289.379 2.242 10 0 CEAERO C[C@H]1C[C@@H](O)C[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000401758516 233184884 /nfs/dbraw/zinc/18/48/84/233184884.db2.gz QYVKBLNKFAVQCJ-NWDGAFQWSA-N 1 0 296.798 2.371 10 0 CEAERO CC[NH2+][C@@H](Cc1cc(CC)nn1C)c1ccncc1 ZINC000089193029 179749885 /nfs/dbraw/zinc/74/98/85/179749885.db2.gz UQTKNWCTTKYCGI-HNNXBMFYSA-N 1 0 258.369 2.271 10 0 CEAERO CCC[NH2+][C@@H](CCOC)Cc1cc(CC)nn1CC ZINC000089193647 179749968 /nfs/dbraw/zinc/74/99/68/179749968.db2.gz PPLWQFLPFQKJKO-AWEZNQCLSA-N 1 0 267.417 2.413 10 0 CEAERO Cc1ccc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1F ZINC000089449665 539715882 /nfs/dbraw/zinc/71/58/82/539715882.db2.gz GBFWTQOFXODKPX-ZYHUDNBSSA-N 1 0 250.317 2.448 10 0 CEAERO C[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])[C@@H]1C ZINC000089449442 539715887 /nfs/dbraw/zinc/71/58/87/539715887.db2.gz GHLWHHJRVPQBSE-KSTCHIGDSA-N 1 0 252.402 2.302 10 0 CEAERO CCC[NH2+][C@@H](COCC)Cc1cc(C)nn1CC ZINC000089201401 179752352 /nfs/dbraw/zinc/75/23/52/179752352.db2.gz KRMUBRQNPVJJSH-CYBMUJFWSA-N 1 0 253.390 2.159 10 0 CEAERO COc1ccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])c(OC)c1 ZINC000089448767 539716326 /nfs/dbraw/zinc/71/63/26/539716326.db2.gz PJRSWDHGGBPHBD-JQWIXIFHSA-N 1 0 278.352 2.017 10 0 CEAERO COc1ccc([C@H](C)NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1F ZINC000089453316 539716697 /nfs/dbraw/zinc/71/66/97/539716697.db2.gz FOTKRVOXQNZRJI-CYZMBNFOSA-N 1 0 294.370 2.387 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000089454514 539717240 /nfs/dbraw/zinc/71/72/40/539717240.db2.gz RAUDTGNKXOPMSS-DCAQKATOSA-N 1 0 278.318 2.162 10 0 CEAERO COc1cc(C)ccc1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089454990 539717256 /nfs/dbraw/zinc/71/72/56/539717256.db2.gz VGLCFQCPSYXFOP-VXGBXAGGSA-N 1 0 262.353 2.317 10 0 CEAERO CCc1cc(CN2C[C@@H](C)[NH2+]CC23CCCCC3)n(C)n1 ZINC000089208862 179754799 /nfs/dbraw/zinc/75/47/99/179754799.db2.gz FSXYOYMVFTVRMS-CQSZACIVSA-N 1 0 290.455 2.479 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400352780 233176261 /nfs/dbraw/zinc/17/62/61/233176261.db2.gz NMDFFHBASMUTEM-REWJHTLYSA-N 1 0 298.427 2.399 10 0 CEAERO CCn1nc(C)cc1CN1CCC[NH2+][C@](C)(C2CC2)C1 ZINC000089211410 179756197 /nfs/dbraw/zinc/75/61/97/179756197.db2.gz PXOKNFKTNWAHMI-INIZCTEOSA-N 1 0 276.428 2.175 10 0 CEAERO CCc1nn(C)c(C[C@@H](Cc2ccncc2)[NH2+]C)c1Cl ZINC000089328025 179769958 /nfs/dbraw/zinc/76/99/58/179769958.db2.gz WDIOXUTXPACNNY-GFCCVEGCSA-N 1 0 292.814 2.404 10 0 CEAERO CCc1nn(C)c(C[C@@H]([NH3+])Cc2ccncc2)c1Cl ZINC000089328019 179770041 /nfs/dbraw/zinc/77/00/41/179770041.db2.gz RCEXJWWPKWYYSC-NSHDSACASA-N 1 0 278.787 2.143 10 0 CEAERO C[C@H](OCc1ccccc1)C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000404536672 233194635 /nfs/dbraw/zinc/19/46/35/233194635.db2.gz HGLXCQNHEUKIGX-ZFWWWQNUSA-N 1 0 290.407 2.096 10 0 CEAERO CCn1nc(C)c(Cl)c1C[C@H](C)C[NH2+]CCOC ZINC000089301228 179766609 /nfs/dbraw/zinc/76/66/09/179766609.db2.gz LORAFWZAZCTJIS-JTQLQIEISA-N 1 0 273.808 2.279 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2CC1 ZINC000089400537 179781433 /nfs/dbraw/zinc/78/14/33/179781433.db2.gz BOJHDVBABZIIHY-DLBZAZTESA-N 1 0 286.419 2.379 10 0 CEAERO Cc1nnc([C@H]2CCC[C@@H]2C[NH3+])n1-c1ccccc1 ZINC000089437110 179788356 /nfs/dbraw/zinc/78/83/56/179788356.db2.gz WQJQZJVOBYBUNL-OCCSQVGLSA-N 1 0 256.353 2.418 10 0 CEAERO CCOc1ccccc1CN(C)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089457613 179794863 /nfs/dbraw/zinc/79/48/63/179794863.db2.gz IZGCWXOCWSYXGK-HIFRSBDPSA-N 1 0 290.407 2.419 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCCc1ccc(Cl)cc1 ZINC000089460001 179795472 /nfs/dbraw/zinc/79/54/72/179795472.db2.gz CPQDYPUWHLIHFW-GXTWGEPZSA-N 1 0 280.799 2.374 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@@H]1CNC(=O)c1c(F)cccc1F ZINC000089531046 179811270 /nfs/dbraw/zinc/81/12/70/179811270.db2.gz IXKNBJZPZPDEQI-GHMZBOCLSA-N 1 0 282.334 2.460 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1COCC(=O)Nc1ccc(F)cc1 ZINC000089537278 179812976 /nfs/dbraw/zinc/81/29/76/179812976.db2.gz ZJYUWBWHCSXCCC-NEPJUHHUSA-N 1 0 280.343 2.156 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1COc1nncc2ccccc21 ZINC000089538630 179813395 /nfs/dbraw/zinc/81/33/95/179813395.db2.gz FKCMPOMCIWSBPA-DGCLKSJQSA-N 1 0 257.337 2.384 10 0 CEAERO Cc1ccc(CC(=O)NC[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000089530809 179810762 /nfs/dbraw/zinc/81/07/62/179810762.db2.gz TYKYETCVSOMQCI-HOTGVXAUSA-N 1 0 274.408 2.419 10 0 CEAERO Cc1cc(C(=O)Nc2ccc(C(C)(C)C[NH3+])cc2)n(C)n1 ZINC000090120385 179916597 /nfs/dbraw/zinc/91/65/97/179916597.db2.gz YBVDOUHECFKFPO-UHFFFAOYSA-N 1 0 286.379 2.217 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(NC(=O)c2cc(C)nn2C)cc1 ZINC000090121196 179917408 /nfs/dbraw/zinc/91/74/08/179917408.db2.gz UJXCJONQRPDNSU-NSHDSACASA-N 1 0 272.352 2.261 10 0 CEAERO CCN(C(=O)/C=C/c1ccc(Cl)cc1)C1C[NH2+]C1 ZINC000090291093 179951100 /nfs/dbraw/zinc/95/11/00/179951100.db2.gz SOZIVFIKBUFCKL-VMPITWQZSA-N 1 0 264.756 2.174 10 0 CEAERO CCCN([C@H](C)c1ccc(O)c(OC)c1)C1C[NH2+]C1 ZINC000090292660 179951387 /nfs/dbraw/zinc/95/13/87/179951387.db2.gz PGLZTQVMEUFCAF-LLVKDONJSA-N 1 0 264.369 2.146 10 0 CEAERO CCN1CCCC[C@@H]([NH3+])[C@@H]1c1cncn1C(C)C ZINC000090209370 179935633 /nfs/dbraw/zinc/93/56/33/179935633.db2.gz PXSFNGRNDUNEDC-TZMCWYRMSA-N 1 0 250.390 2.338 10 0 CEAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)c1ccccc1Cl ZINC000090330458 179962113 /nfs/dbraw/zinc/96/21/13/179962113.db2.gz XRBYBWBNXBQTCP-MPKXVKKWSA-N 1 0 278.783 2.410 10 0 CEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C(=O)CCc1ccc(C)cc1 ZINC000090331156 179962120 /nfs/dbraw/zinc/96/21/20/179962120.db2.gz GTZKFUZCTCKEKM-IXDOHACOSA-N 1 0 286.419 2.384 10 0 CEAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1c1ncccc1Cl ZINC000090333801 179964082 /nfs/dbraw/zinc/96/40/82/179964082.db2.gz ALKXVCNHLILBLX-CKYFFXLPSA-N 1 0 251.761 2.169 10 0 CEAERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1c1ncnc2ccccc21 ZINC000090339085 179966774 /nfs/dbraw/zinc/96/67/74/179966774.db2.gz SHZLMGNSRHVPOF-DGCLKSJQSA-N 1 0 268.364 2.064 10 0 CEAERO C[C@H]([NH3+])CSCC(=O)Nc1ccc(F)c(F)c1F ZINC000090343528 179968616 /nfs/dbraw/zinc/96/86/16/179968616.db2.gz UNBKDXKOJYHGAO-LURJTMIESA-N 1 0 278.299 2.123 10 0 CEAERO COC(=O)[C@@H](CSCC[C@H](C)[NH3+])c1ccccc1 ZINC000090345851 179970298 /nfs/dbraw/zinc/97/02/98/179970298.db2.gz UBKAVORCUAHAAP-AAEUAGOBSA-N 1 0 267.394 2.414 10 0 CEAERO CCOc1ccc(OC(=O)CSC[C@@H](C)C[NH3+])cc1 ZINC000090349703 179971405 /nfs/dbraw/zinc/97/14/05/179971405.db2.gz CRKZFHLIGNSPGO-NSHDSACASA-N 1 0 283.393 2.319 10 0 CEAERO CCCCC[C@H](C)NC(=O)CSC[C@H](C)C[NH3+] ZINC000090350303 179971975 /nfs/dbraw/zinc/97/19/75/179971975.db2.gz CDVCKJKVSVZUOR-NEPJUHHUSA-N 1 0 260.447 2.399 10 0 CEAERO CC[C@H]([NH3+])CSCC(=O)N[C@H](C)c1ccccc1 ZINC000090356764 179974863 /nfs/dbraw/zinc/97/48/63/179974863.db2.gz YNEZHVLIUXJNQY-YPMHNXCESA-N 1 0 266.410 2.334 10 0 CEAERO CC[C@H]([NH3+])CSCC(=O)Nc1c(F)cccc1F ZINC000090356616 179974877 /nfs/dbraw/zinc/97/48/77/179974877.db2.gz FHEITAFSVIJAOF-QMMMGPOBSA-N 1 0 274.336 2.374 10 0 CEAERO CC[C@H]([NH3+])CSCCC(=O)Nc1ccccc1 ZINC000090356432 179974939 /nfs/dbraw/zinc/97/49/39/179974939.db2.gz WSPICJGJQGEASL-NSHDSACASA-N 1 0 252.383 2.486 10 0 CEAERO CC[C@H]([NH3+])CSCC(=O)NC1CCCCCC1 ZINC000090356530 179975233 /nfs/dbraw/zinc/97/52/33/179975233.db2.gz OTOXZNIUSZNWGP-NSHDSACASA-N 1 0 258.431 2.296 10 0 CEAERO Cc1ccc(C[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1 ZINC000090378295 179979577 /nfs/dbraw/zinc/97/95/77/179979577.db2.gz MBTOABWWJINUDQ-MRXNPFEDSA-N 1 0 294.354 2.417 10 0 CEAERO CC(C)(C)[NH2+]Cc1cn(CCC(F)(F)F)nn1 ZINC000090298258 179952657 /nfs/dbraw/zinc/95/26/57/179952657.db2.gz SJUDWEQZKKKWOX-UHFFFAOYSA-N 1 0 250.268 2.119 10 0 CEAERO CC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000090488354 179991367 /nfs/dbraw/zinc/99/13/67/179991367.db2.gz KDGQGOPBFUDHRK-JOYOIKCWSA-N 1 0 286.734 2.042 10 0 CEAERO CC(C)(C)c1ccc(C[NH2+][C@H]2CCOC[C@H]2O)s1 ZINC000623766919 350107624 /nfs/dbraw/zinc/10/76/24/350107624.db2.gz NQXMYCFAKVNMPM-NWDGAFQWSA-N 1 0 269.410 2.285 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1c1nc2c(cccc2C)[nH]1 ZINC000090527091 179997718 /nfs/dbraw/zinc/99/77/18/179997718.db2.gz BQOFNCABXXPIDI-DGCLKSJQSA-N 1 0 259.353 2.353 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccccc1Cl ZINC000090538935 180000502 /nfs/dbraw/zinc/00/05/02/180000502.db2.gz ZRACCUJXHICUHP-GXFFZTMASA-N 1 0 282.771 2.293 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1ccc(C)c(C)c1 ZINC000090539271 180000535 /nfs/dbraw/zinc/00/05/35/180000535.db2.gz JGEDJLMOMRCVGH-GJZGRUSLSA-N 1 0 276.380 2.257 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)N1CCC(C(C)(C)C)CC1 ZINC000090544509 180000964 /nfs/dbraw/zinc/00/09/64/180000964.db2.gz DXNSOBSKNYEFGG-HUUCEWRRSA-N 1 0 296.455 2.286 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N[C@@H](CC)c1cccs1 ZINC000090543864 180001322 /nfs/dbraw/zinc/00/13/22/180001322.db2.gz ZXRSXYLLGKPJRI-RWMBFGLXSA-N 1 0 296.436 2.330 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1CN1Cc2ccccc2C1 ZINC000090566772 180006461 /nfs/dbraw/zinc/00/64/61/180006461.db2.gz PVGPODPMMZZWGO-HZPDHXFCSA-N 1 0 260.381 2.017 10 0 CEAERO C[C@]1(c2nc3cc(F)ccc3s2)COC[C@H]1[NH3+] ZINC000090573015 180007256 /nfs/dbraw/zinc/00/72/56/180007256.db2.gz GPONTLLWLCZPRC-PWSUYJOCSA-N 1 0 252.314 2.051 10 0 CEAERO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)[C@]1(C)COC[C@@H]1[NH3+] ZINC000090591789 180010418 /nfs/dbraw/zinc/01/04/18/180010418.db2.gz AVAQQEIQKLCUMX-RIEGTJTDSA-N 1 0 296.798 2.223 10 0 CEAERO CC(C)COc1cccc(NC(=O)[C@]2(C)COC[C@@H]2[NH3+])c1 ZINC000090589868 180010484 /nfs/dbraw/zinc/01/04/84/180010484.db2.gz RHLBXCPZFZPYQT-GOEBONIOSA-N 1 0 292.379 2.024 10 0 CEAERO CCN(c1ccccc1C)[C@@H](C[NH3+])CC(OC)OC ZINC000090625032 180015814 /nfs/dbraw/zinc/01/58/14/180015814.db2.gz QLIYWCKDIMPGKU-CYBMUJFWSA-N 1 0 266.385 2.158 10 0 CEAERO CCCCC[N@H+](C(C)C)[C@@H](CN)CC(OC)OC ZINC000090625209 180015973 /nfs/dbraw/zinc/01/59/73/180015973.db2.gz NXWJBUXEVIBYSF-CYBMUJFWSA-N 1 0 260.422 2.223 10 0 CEAERO COC(C[C@@H](C[NH3+])N1CCC(C(C)(C)C)CC1)OC ZINC000090625290 180015997 /nfs/dbraw/zinc/01/59/97/180015997.db2.gz VUACCEHJCFGUAH-ZDUSSCGKSA-N 1 0 272.433 2.081 10 0 CEAERO COC(C[C@H](C[NH3+])N(C)Cc1ccccc1Cl)OC ZINC000090625119 180016068 /nfs/dbraw/zinc/01/60/68/180016068.db2.gz IMBLNTLXKUMISV-GFCCVEGCSA-N 1 0 286.803 2.108 10 0 CEAERO C[NH+]1CCN(CCCOc2ccc(C=O)c(Cl)c2)CC1 ZINC000090669236 180020486 /nfs/dbraw/zinc/02/04/86/180020486.db2.gz NZDMPBWPKREDSF-UHFFFAOYSA-N 1 0 296.798 2.169 10 0 CEAERO C[C@H](OCCOc1ccccc1C[NH3+])C(F)(F)F ZINC000090671950 180021008 /nfs/dbraw/zinc/02/10/08/180021008.db2.gz YOMBGFPBQSDQDR-VIFPVBQESA-N 1 0 263.259 2.492 10 0 CEAERO C[NH+](C)C[C@@H]1CSCCCN1C(=O)OC1CCCC1 ZINC000090700198 180027891 /nfs/dbraw/zinc/02/78/91/180027891.db2.gz GNEBGHPFGVXBIC-GFCCVEGCSA-N 1 0 286.441 2.435 10 0 CEAERO C[NH+](C)C[C@H]1CSCCCN1C(=O)c1ccccc1F ZINC000090699845 180027970 /nfs/dbraw/zinc/02/79/70/180027970.db2.gz ZQZUYXNNHGUWID-LBPRGKRZSA-N 1 0 296.411 2.335 10 0 CEAERO [NH3+]Cc1nc(-c2nc(Cc3cccs3)no2)cs1 ZINC000090933551 180066554 /nfs/dbraw/zinc/06/65/54/180066554.db2.gz IALVXAGVJTZIHT-UHFFFAOYSA-N 1 0 278.362 2.304 10 0 CEAERO CC(C)CCS(=O)(=O)NC1(C[NH3+])CCCCCCC1 ZINC000104442979 186004530 /nfs/dbraw/zinc/00/45/30/186004530.db2.gz SAZPIZZEEUCYGT-UHFFFAOYSA-N 1 0 290.473 2.394 10 0 CEAERO [NH3+]Cc1ccc(CNc2ncncc2Br)cc1 ZINC000090780611 180038649 /nfs/dbraw/zinc/03/86/49/180038649.db2.gz PKCJMURMZQUOTC-UHFFFAOYSA-N 1 0 293.168 2.310 10 0 CEAERO COc1cc(N(CCC[NH3+])c2cccc(F)c2)nc(C)n1 ZINC000090786925 180040558 /nfs/dbraw/zinc/04/05/58/180040558.db2.gz YMHUYSFYZAWFJS-UHFFFAOYSA-N 1 0 290.342 2.420 10 0 CEAERO CCCN(c1cc(OC(C)C)ncn1)[C@H]1CCC[NH2+]C1 ZINC000090786135 180040797 /nfs/dbraw/zinc/04/07/97/180040797.db2.gz LUVGBEXBARDLRD-ZDUSSCGKSA-N 1 0 278.400 2.232 10 0 CEAERO CC(C)Oc1cc(N(C)[C@H]2CCCC[C@@H]2C[NH3+])ncn1 ZINC000090786214 180040798 /nfs/dbraw/zinc/04/07/98/180040798.db2.gz ISTXQVWCIAXHKN-OLZOCXBDSA-N 1 0 278.400 2.218 10 0 CEAERO CC(C)[NH2+]C[C@H]1CCCN1c1cc(OC(C)C)ncn1 ZINC000090786376 180040883 /nfs/dbraw/zinc/04/08/83/180040883.db2.gz PLRUYZXXQDQXIF-CYBMUJFWSA-N 1 0 278.400 2.231 10 0 CEAERO CCOc1cc(N2CCC[C@@H]2C[NH2+]CC(C)C)nc(C)n1 ZINC000090788138 180041165 /nfs/dbraw/zinc/04/11/65/180041165.db2.gz ZCMIJDXBHZWZSC-CQSZACIVSA-N 1 0 292.427 2.398 10 0 CEAERO CCOc1cc(N2CCC[C@@H]2C[NH2+]C(C)C)nc(C)n1 ZINC000090788128 180041290 /nfs/dbraw/zinc/04/12/90/180041290.db2.gz UJRYMRBFCYXCJY-CYBMUJFWSA-N 1 0 278.400 2.151 10 0 CEAERO CCOc1cc(OCC[C@@H]2CCCC[NH2+]2)nc(C)n1 ZINC000090788076 180041606 /nfs/dbraw/zinc/04/16/06/180041606.db2.gz KGGFDBZRCUSTLC-LBPRGKRZSA-N 1 0 265.357 2.095 10 0 CEAERO CCOc1ncnc(NCc2ccc(C[NH3+])cc2)c1C ZINC000090789508 180041781 /nfs/dbraw/zinc/04/17/81/180041781.db2.gz JTXFAPYJQSUEPP-UHFFFAOYSA-N 1 0 272.352 2.255 10 0 CEAERO COc1cc(NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)ncn1 ZINC000090790324 180041929 /nfs/dbraw/zinc/04/19/29/180041929.db2.gz KQVNXXMZKIHIEN-DOMZBBRYSA-N 1 0 278.400 2.408 10 0 CEAERO CCOc1ncnc(NC[C@@H]2CCCC[C@H]2C[NH3+])c1C ZINC000090790178 180042234 /nfs/dbraw/zinc/04/22/34/180042234.db2.gz XTHKAXDBYLPBEL-STQMWFEESA-N 1 0 278.400 2.361 10 0 CEAERO CCOc1ncnc(NCC[NH+]2CCCCC2)c1C ZINC000090791145 180043065 /nfs/dbraw/zinc/04/30/65/180043065.db2.gz REELSPPXINDQIC-UHFFFAOYSA-N 1 0 264.373 2.082 10 0 CEAERO CS(=O)(=O)c1cccc(O[C@H]2C[C@H]([NH3+])C23CCCC3)c1 ZINC000090862034 180047212 /nfs/dbraw/zinc/04/72/12/180047212.db2.gz NNMNUHKMARGFES-KBPBESRZSA-N 1 0 295.404 2.129 10 0 CEAERO [NH3+][C@@H]1C[C@@H](OC[C@@H]2CCOC2)C12CCCCCC2 ZINC000090862936 180047280 /nfs/dbraw/zinc/04/72/80/180047280.db2.gz UPENBPWDILSVEZ-MGPQQGTHSA-N 1 0 253.386 2.480 10 0 CEAERO CC[NH2+]Cc1cccc(S[C@@H](CC)C(N)=O)c1 ZINC000090871041 180048900 /nfs/dbraw/zinc/04/89/00/180048900.db2.gz QJIHGQNKMVPISK-LBPRGKRZSA-N 1 0 252.383 2.152 10 0 CEAERO [NH3+][C@@H]1COc2cc(OC[C@H]3Cc4ccccc4O3)ccc21 ZINC000090873955 180050132 /nfs/dbraw/zinc/05/01/32/180050132.db2.gz AUWYCIOMVBWIIN-UKRRQHHQSA-N 1 0 283.327 2.461 10 0 CEAERO COCC[NH2+]Cc1cccc(SCCCC(=O)OC)c1 ZINC000090873079 180050232 /nfs/dbraw/zinc/05/02/32/180050232.db2.gz UOAWIKKAHUJUQZ-UHFFFAOYSA-N 1 0 297.420 2.468 10 0 CEAERO CNC(=O)[C@@H](C)Sc1cccc(C[NH2+]C(C)C)c1 ZINC000090871897 180050300 /nfs/dbraw/zinc/05/03/00/180050300.db2.gz BCHGLUPNBVIWJE-LLVKDONJSA-N 1 0 266.410 2.411 10 0 CEAERO [NH3+][C@@H]1COc2cc(OC[C@@H]3Cc4ccccc4O3)ccc21 ZINC000090873956 180050347 /nfs/dbraw/zinc/05/03/47/180050347.db2.gz AUWYCIOMVBWIIN-DZGCQCFKSA-N 1 0 283.327 2.461 10 0 CEAERO OC[C@H](Cc1ccccc1)[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000090874622 180050764 /nfs/dbraw/zinc/05/07/64/180050764.db2.gz NOHUFQSHLPUCNN-DLBZAZTESA-N 1 0 283.371 2.183 10 0 CEAERO C[NH2+]Cc1c(C)nn(C[C@@H]2Cc3ccccc3O2)c1C ZINC000090876340 180052144 /nfs/dbraw/zinc/05/21/44/180052144.db2.gz CYSUABUJHPLREO-AWEZNQCLSA-N 1 0 271.364 2.223 10 0 CEAERO Cc1cnc(C[NH2+]C[C@H]2Cc3cc(F)ccc3O2)cn1 ZINC000090892726 180055240 /nfs/dbraw/zinc/05/52/40/180055240.db2.gz KAOIGPZCBQXKOQ-CQSZACIVSA-N 1 0 273.311 2.017 10 0 CEAERO COCCCC[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892557 180055318 /nfs/dbraw/zinc/05/53/18/180055318.db2.gz DFNDFYORRQNCTN-ZDUSSCGKSA-N 1 0 253.317 2.145 10 0 CEAERO CC(=O)C1CC[NH+](C[C@@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090893213 180055446 /nfs/dbraw/zinc/05/54/46/180055446.db2.gz RJBDOXDOLNQBJZ-HNNXBMFYSA-N 1 0 277.339 2.430 10 0 CEAERO CC[NH2+]Cc1nccn1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090894377 180055754 /nfs/dbraw/zinc/05/57/54/180055754.db2.gz OBAOZNQGBBFDHH-ZDUSSCGKSA-N 1 0 275.327 2.135 10 0 CEAERO [NH3+]C1(COC[C@H]2Cc3cc(F)ccc3O2)CCCC1 ZINC000090893717 180055805 /nfs/dbraw/zinc/05/58/05/180055805.db2.gz ZGPLSFJFKHOVIY-CYBMUJFWSA-N 1 0 265.328 2.417 10 0 CEAERO COCC[NH2+]C[C@H](C)C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090895128 180056099 /nfs/dbraw/zinc/05/60/99/180056099.db2.gz GTJBPMJCOWTTJT-BXUZGUMPSA-N 1 0 267.344 2.391 10 0 CEAERO Fc1ccc2c(c1)C[C@H](CN1CC[NH2+]C3(CCCC3)C1)O2 ZINC000090896113 180056391 /nfs/dbraw/zinc/05/63/91/180056391.db2.gz HOYCCSSHCQKPHI-OAHLLOKOSA-N 1 0 290.382 2.347 10 0 CEAERO C[C@@]1(C2CC2)CN(C[C@@H]2Cc3cc(F)ccc3O2)CC[NH2+]1 ZINC000090896116 180056424 /nfs/dbraw/zinc/05/64/24/180056424.db2.gz CNKCSOCQPNHURX-RDJZCZTQSA-N 1 0 290.382 2.203 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[NH2+]CCN1CCCCC1)O2 ZINC000090897760 180056639 /nfs/dbraw/zinc/05/66/39/180056639.db2.gz LZFWUWHXLNCFJE-MRXNPFEDSA-N 1 0 274.408 2.374 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCO1)O2 ZINC000090897386 180057054 /nfs/dbraw/zinc/05/70/54/180057054.db2.gz BUYUWUUJDSVNPS-CFVMTHIKSA-N 1 0 261.365 2.456 10 0 CEAERO Cc1ccc2c(c1)C[C@H](CO[C@@H]1CCC[C@@H]1C[NH3+])O2 ZINC000090899167 180057722 /nfs/dbraw/zinc/05/77/22/180057722.db2.gz VSFDMNUZPRHOCV-BPLDGKMQSA-N 1 0 261.365 2.443 10 0 CEAERO Cc1ccc2c(c1)C[C@H](COC[C@H]1CCC[NH2+]C1)O2 ZINC000090899117 180057742 /nfs/dbraw/zinc/05/77/42/180057742.db2.gz GQSYQLIKAWNPQF-DZGCQCFKSA-N 1 0 261.365 2.315 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[N@@H+](C)[C@@H](C)CC(N)=S)O2 ZINC000090898432 180058142 /nfs/dbraw/zinc/05/81/42/180058142.db2.gz GMKCCIIAYIXKGP-WCQYABFASA-N 1 0 278.421 2.295 10 0 CEAERO CC(C)([NH3+])c1cn(C[C@H]2Cc3cc(Cl)ccc3O2)nn1 ZINC000090901114 180058633 /nfs/dbraw/zinc/05/86/33/180058633.db2.gz IPGMCXBQHNBHIP-LLVKDONJSA-N 1 0 292.770 2.129 10 0 CEAERO COC(=O)C1CC[NH+](C[C@H]2Cc3cc(C)ccc3O2)CC1 ZINC000090900777 180058659 /nfs/dbraw/zinc/05/86/59/180058659.db2.gz MTBZMWCATAZNOK-OAHLLOKOSA-N 1 0 289.375 2.184 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C)N1C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090900183 180059139 /nfs/dbraw/zinc/05/91/39/180059139.db2.gz BPTJMWLUQCLDQZ-GYSYKLTISA-N 1 0 280.799 2.326 10 0 CEAERO C[C@H](O)CC[NH2+]C[C@H]1Cc2cc(Cl)ccc2O1 ZINC000090905091 180059721 /nfs/dbraw/zinc/05/97/21/180059721.db2.gz OXQYZZSYRMYZFO-JOYOIKCWSA-N 1 0 255.745 2.004 10 0 CEAERO CCCOc1ccc([C@H](C[NH3+])N2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090905939 180060959 /nfs/dbraw/zinc/06/09/59/180060959.db2.gz YNPRRHQHZNDZBM-BBWFWOEESA-N 1 0 290.407 2.338 10 0 CEAERO CCC[NH2+]CC1(CN2C[C@H]3CC[C@@H](C2)O3)CCCC1 ZINC000090907533 180061811 /nfs/dbraw/zinc/06/18/11/180061811.db2.gz XVEWGOKFHBOIII-GASCZTMLSA-N 1 0 266.429 2.410 10 0 CEAERO [NH3+]CCc1nc(C(=O)N[C@@H]2CCCc3occc32)cs1 ZINC000090952153 180072855 /nfs/dbraw/zinc/07/28/55/180072855.db2.gz GIZWWBUOFVPSJY-SNVBAGLBSA-N 1 0 291.376 2.045 10 0 CEAERO C[C@H](Cc1ccccc1)NC(=O)c1csc(CC[NH3+])n1 ZINC000090954206 180073808 /nfs/dbraw/zinc/07/38/08/180073808.db2.gz YWRPNFVBYGLPNI-LLVKDONJSA-N 1 0 289.404 2.005 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+]C[C@H]1CCCOC1 ZINC000090960355 180075390 /nfs/dbraw/zinc/07/53/90/180075390.db2.gz ZQQRATHEQKQJJT-LLVKDONJSA-N 1 0 268.382 2.223 10 0 CEAERO CC1CC[NH+](CCCNCc2ccccc2N)CC1 ZINC000090961292 180076259 /nfs/dbraw/zinc/07/62/59/180076259.db2.gz OVYIHWSELBXCNZ-UHFFFAOYSA-N 1 0 261.413 2.480 10 0 CEAERO COCC[C@@H](C)[NH2+]Cc1ccccc1NC(C)=O ZINC000090962767 180077042 /nfs/dbraw/zinc/07/70/42/180077042.db2.gz FDWKQCVFKRSNIU-LLVKDONJSA-N 1 0 250.342 2.160 10 0 CEAERO CCn1c(C[NH3+])nnc1SC[C@H]1Cc2ccccc21 ZINC000090977474 180079004 /nfs/dbraw/zinc/07/90/04/180079004.db2.gz RFGGMHUSJWVEJF-LLVKDONJSA-N 1 0 274.393 2.189 10 0 CEAERO NC(=O)c1ccc(C[NH2+]C[C@@H]2Cc3ccccc32)c(F)c1 ZINC000090992740 180082319 /nfs/dbraw/zinc/08/23/19/180082319.db2.gz LJNFHSSSOMXBOH-AWEZNQCLSA-N 1 0 284.334 2.354 10 0 CEAERO CCC[NH2+]Cc1cn(CCOCCO)c2ccccc12 ZINC000090995483 180082909 /nfs/dbraw/zinc/08/29/09/180082909.db2.gz ZFDMQUKIGJSVFO-UHFFFAOYSA-N 1 0 276.380 2.150 10 0 CEAERO CCC[NH2+]Cc1cccn1Cc1cccc(OC)n1 ZINC000091001027 180083133 /nfs/dbraw/zinc/08/31/33/180083133.db2.gz UVLJKRFRAIAWEV-UHFFFAOYSA-N 1 0 259.353 2.440 10 0 CEAERO FC(F)(F)COCCn1cccc1C[NH2+]C1CC1 ZINC000091001436 180083349 /nfs/dbraw/zinc/08/33/49/180083349.db2.gz MPPWUFKTHCRHRF-UHFFFAOYSA-N 1 0 262.275 2.319 10 0 CEAERO CC(C)C[NH2+]Cc1nccn1Cc1cscn1 ZINC000091002770 180083873 /nfs/dbraw/zinc/08/38/73/180083873.db2.gz XKBCBXRLKRWXOA-UHFFFAOYSA-N 1 0 250.371 2.134 10 0 CEAERO CC(C)[NH2+]Cc1ccn(Cc2noc(C3CC3)n2)c1 ZINC000091003615 180083997 /nfs/dbraw/zinc/08/39/97/180083997.db2.gz MOYBFNKXIYOHCI-UHFFFAOYSA-N 1 0 260.341 2.295 10 0 CEAERO [NH3+]CCc1ccn(CCc2ccc3c(c2)CCO3)c1 ZINC000091004850 180084161 /nfs/dbraw/zinc/08/41/61/180084161.db2.gz SDHXCIPFMAXTDT-UHFFFAOYSA-N 1 0 256.349 2.167 10 0 CEAERO CC(C)C[NH2+]Cc1nccn1CCOC(F)(F)F ZINC000091002807 180084277 /nfs/dbraw/zinc/08/42/77/180084277.db2.gz OBNJCLMOJFVJPN-UHFFFAOYSA-N 1 0 265.279 2.165 10 0 CEAERO C[C@H]([NH3+])Cc1cccn1C[C@@H]1Cc2ccccc2O1 ZINC000091005483 180084585 /nfs/dbraw/zinc/08/45/85/180084585.db2.gz HTGQTCOQSJBZCK-WFASDCNBSA-N 1 0 256.349 2.382 10 0 CEAERO CCCn1ccc(C[C@@H]([NH3+])CCC(=O)OCC)c1 ZINC000091010424 180086306 /nfs/dbraw/zinc/08/63/06/180086306.db2.gz RCPMMUCNWINKNW-ZDUSSCGKSA-N 1 0 252.358 2.111 10 0 CEAERO CC(C)n1ccc(Cn2cc(C[NH3+])c3cccnc32)n1 ZINC000091018482 180086840 /nfs/dbraw/zinc/08/68/40/180086840.db2.gz XEWZXIJPOGOYQR-UHFFFAOYSA-N 1 0 269.352 2.321 10 0 CEAERO CC(C)C[C@H]([NH2+]Cc1c[nH]c2ncccc12)C(=O)N(C)C ZINC000091016404 180087217 /nfs/dbraw/zinc/08/72/17/180087217.db2.gz YDXHKJJMLMPTRL-AWEZNQCLSA-N 1 0 288.395 2.155 10 0 CEAERO CC[NH2+]Cc1cn(Cc2nnc(CC)o2)c2ncccc12 ZINC000091020163 180088078 /nfs/dbraw/zinc/08/80/78/180088078.db2.gz ALUSRWPAMRLFAL-UHFFFAOYSA-N 1 0 285.351 2.140 10 0 CEAERO CCOC(=O)Cn1cc(C[NH2+]C(C)C)c2cccnc21 ZINC000091020529 180088082 /nfs/dbraw/zinc/08/80/82/180088082.db2.gz IKPMLRFEWLJTOT-UHFFFAOYSA-N 1 0 275.352 2.097 10 0 CEAERO C[C@@H]1CCC[C@@H](OC(=O)c2csc(CC[NH3+])n2)C1 ZINC000090939815 180068297 /nfs/dbraw/zinc/06/82/97/180068297.db2.gz NLWWPNUOJKMUMV-NXEZZACHSA-N 1 0 268.382 2.380 10 0 CEAERO C[C@@H]([NH3+])c1nc(-c2nc(-c3cccnc3)no2)cs1 ZINC000090938542 180068322 /nfs/dbraw/zinc/06/83/22/180068322.db2.gz AXPSAMPWVYBKRU-SSDOTTSWSA-N 1 0 273.321 2.275 10 0 CEAERO CC[C@H](C)c1noc(-c2csc(CC[NH3+])n2)n1 ZINC000090939063 180068415 /nfs/dbraw/zinc/06/84/15/180068415.db2.gz XBSQJJBHUGHCLA-ZETCQYMHSA-N 1 0 252.343 2.208 10 0 CEAERO [NH3+]CCc1nc(-c2nncn2C2CCCCC2)cs1 ZINC000090945148 180069238 /nfs/dbraw/zinc/06/92/38/180069238.db2.gz SMKGPFLUXPFSEO-UHFFFAOYSA-N 1 0 277.397 2.408 10 0 CEAERO c1ccc2c(c1)C[C@@H]2c1noc(C[C@H]2CSCC[NH2+]2)n1 ZINC000091129161 180100955 /nfs/dbraw/zinc/10/09/55/180100955.db2.gz LKGQHZNBSKPSMO-AAEUAGOBSA-N 1 0 287.388 2.005 10 0 CEAERO C[C@@H]1C[C@@H](c2ccncc2NC(=O)C(F)(F)F)CC[NH2+]1 ZINC000669385004 539766035 /nfs/dbraw/zinc/76/60/35/539766035.db2.gz RYVWMPAVOKWVSK-BDAKNGLRSA-N 1 0 287.285 2.438 10 0 CEAERO COCC[NH2+]C[C@@]1(c2ccc3c(c2)OCCO3)CC[C@@H]1C ZINC000091329153 180135846 /nfs/dbraw/zinc/13/58/46/180135846.db2.gz VFDBZUQHADACHJ-GUYCJALGSA-N 1 0 291.391 2.362 10 0 CEAERO COCC[NH2+]Cc1cnn(-c2cc(C)ccn2)c1C1CC1 ZINC000091338405 180136638 /nfs/dbraw/zinc/13/66/38/180136638.db2.gz GDCFACIBKPNKEN-UHFFFAOYSA-N 1 0 286.379 2.189 10 0 CEAERO C[S@@](=O)CCC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000091342209 180137263 /nfs/dbraw/zinc/13/72/63/180137263.db2.gz PMTPTRCSLSQDCK-YOEHRIQHSA-N 1 0 251.395 2.496 10 0 CEAERO CCOCCN(CC)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000091361324 180141034 /nfs/dbraw/zinc/14/10/34/180141034.db2.gz SUDGGAOAXNJXQW-ILXRZTDVSA-N 1 0 282.428 2.182 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2OC[C@H]1SC[C@@H](C)CO ZINC000091261454 180115755 /nfs/dbraw/zinc/11/57/55/180115755.db2.gz BABSFVVCXIZWRC-NILFDRSVSA-N 1 0 281.421 2.460 10 0 CEAERO CN(CC(C)(C)C)[C@H](C[NH3+])c1cncn1C1CC1 ZINC000091276462 180119788 /nfs/dbraw/zinc/11/97/88/180119788.db2.gz VOXQQFDECFPJDA-GFCCVEGCSA-N 1 0 250.390 2.196 10 0 CEAERO CCCN(Cc1cncn1C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000091277058 180120442 /nfs/dbraw/zinc/12/04/42/180120442.db2.gz MIFMGDGZWQSNEJ-CQSZACIVSA-N 1 0 262.401 2.182 10 0 CEAERO C[NH2+][C@H]1CCc2c1cccc2OCc1cncn1C ZINC000091278459 180120939 /nfs/dbraw/zinc/12/09/39/180120939.db2.gz DXBDIIJUTCRGDY-AWEZNQCLSA-N 1 0 257.337 2.206 10 0 CEAERO Cc1cc([C@@H](C)NC(=O)C[C@H]2CSCC[NH2+]2)c(C)o1 ZINC000091290659 180121934 /nfs/dbraw/zinc/12/19/34/180121934.db2.gz XWJXRHGHUBGAED-PWSUYJOCSA-N 1 0 282.409 2.169 10 0 CEAERO Cc1ccc(CN(C)CC[C@@H]2CSCC[NH2+]2)o1 ZINC000091292019 180123719 /nfs/dbraw/zinc/12/37/19/180123719.db2.gz RUSYGKGZWDCLOC-GFCCVEGCSA-N 1 0 254.399 2.115 10 0 CEAERO CC(C)(C)[NH2+]Cc1cncc(OC[C@@H]2CCCCO2)n1 ZINC000091433422 180154565 /nfs/dbraw/zinc/15/45/65/180154565.db2.gz YVMLXABFVIYLGT-ZDUSSCGKSA-N 1 0 279.384 2.313 10 0 CEAERO CCS(=O)(=O)CCC[C@@]1(CC(C)C)CCC[NH2+]1 ZINC000091446305 180156490 /nfs/dbraw/zinc/15/64/90/180156490.db2.gz ALLMXQNQKVTRQP-CYBMUJFWSA-N 1 0 261.431 2.370 10 0 CEAERO COc1cc(C[NH2+]C2CC(O)C2)c(SC)cc1OC ZINC000091449518 180157964 /nfs/dbraw/zinc/15/79/64/180157964.db2.gz AUBWCIQUAAGNGU-UHFFFAOYSA-N 1 0 283.393 2.039 10 0 CEAERO [NH3+][C@@H](CNC(=O)c1ccncc1Cl)c1ccccc1 ZINC000091456875 180160259 /nfs/dbraw/zinc/16/02/59/180160259.db2.gz IHXBCTMDLHJZEG-ZDUSSCGKSA-N 1 0 275.739 2.165 10 0 CEAERO CN(C(=O)c1ccncc1Cl)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000091457165 180161089 /nfs/dbraw/zinc/16/10/89/180161089.db2.gz NEXMCSSFIZEYIN-GXFFZTMASA-N 1 0 281.787 2.325 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N(C)CC1CC(O)C1 ZINC000091461005 180161740 /nfs/dbraw/zinc/16/17/40/180161740.db2.gz JDPKNEFDXHGJDJ-RBJWDRSHSA-N 1 0 282.815 2.431 10 0 CEAERO CC[NH2+]CC[C@](C)(O)c1ccc2c(c1)OCCCO2 ZINC000091466764 180164222 /nfs/dbraw/zinc/16/42/22/180164222.db2.gz KVQKUFMKGHFTSP-HNNXBMFYSA-N 1 0 265.353 2.055 10 0 CEAERO CC(C)(C)[NH2+]C[C@H](O)CCc1ccc2c(c1)CCO2 ZINC000091467359 180164247 /nfs/dbraw/zinc/16/42/47/180164247.db2.gz LFSRCCCSRXACKW-CQSZACIVSA-N 1 0 263.381 2.303 10 0 CEAERO COCC[NH2+]C[C@@H](O)Cc1ccc(Cl)c(Cl)c1 ZINC000091470252 180164819 /nfs/dbraw/zinc/16/48/19/180164819.db2.gz YOYUJDCUHCVHLT-JTQLQIEISA-N 1 0 278.179 2.133 10 0 CEAERO C[NH2+]CC1CC(OCC(=O)Nc2ccccc2Cl)C1 ZINC000091474796 180165501 /nfs/dbraw/zinc/16/55/01/180165501.db2.gz JSKREODUUDVSFV-UHFFFAOYSA-N 1 0 282.771 2.293 10 0 CEAERO Cc1cc([C@@H]2[C@@H](C[NH3+])OCCN2C)ccc1Br ZINC000091475417 180165729 /nfs/dbraw/zinc/16/57/29/180165729.db2.gz UUOMLLGSUSSNFP-CHWSQXEVSA-N 1 0 299.212 2.088 10 0 CEAERO CSC1(C(N)=S)CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000091478959 180166350 /nfs/dbraw/zinc/16/63/50/180166350.db2.gz HPUJJDUQRUSICG-LLVKDONJSA-N 1 0 288.482 2.039 10 0 CEAERO CC1(C)C(C(=O)N2C[C@@H]3C[NH2+]C[C@@H]3C2(C)C)C1(C)C ZINC000091492852 180170552 /nfs/dbraw/zinc/17/05/52/180170552.db2.gz WUCDKEBOUHDKSY-QWRGUYRKSA-N 1 0 264.413 2.125 10 0 CEAERO CCCn1cc([C@](C)(O)CC[NH2+]CC(C)C)cn1 ZINC000091503313 180175239 /nfs/dbraw/zinc/17/52/39/180175239.db2.gz AGTVHLYNXARDPK-CQSZACIVSA-N 1 0 253.390 2.136 10 0 CEAERO Cc1ncccc1NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000091497080 180172367 /nfs/dbraw/zinc/17/23/67/180172367.db2.gz TXWSDVLLSWLNGP-CYBMUJFWSA-N 1 0 255.321 2.419 10 0 CEAERO CC(C)(C)C[C@H](NC(=O)C1C[NH2+]C1)c1ccccc1 ZINC000091395840 180146628 /nfs/dbraw/zinc/14/66/28/180146628.db2.gz CTVNZVIPDKAGHP-AWEZNQCLSA-N 1 0 260.381 2.500 10 0 CEAERO CC(=O)C(C)(C)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000091401858 180147356 /nfs/dbraw/zinc/14/73/56/180147356.db2.gz RICKXRPYPWXRMX-UHFFFAOYSA-N 1 0 274.408 2.419 10 0 CEAERO CC[NH2+][C@@H](C)C(C)(C)CN1CCN(c2nccs2)CC1 ZINC000091402436 180147472 /nfs/dbraw/zinc/14/74/72/180147472.db2.gz YIYQPXBRUHEGNL-ZDUSSCGKSA-N 1 0 296.484 2.289 10 0 CEAERO COc1ccc(C[NH+](C)C)cc1NCc1cnco1 ZINC000091409740 180148341 /nfs/dbraw/zinc/14/83/41/180148341.db2.gz CDYMJWBCSMHPFP-UHFFFAOYSA-N 1 0 261.325 2.357 10 0 CEAERO COc1ccc(C[NH2+]CC2CC(O)C2)cc1OC(F)F ZINC000091416210 180149665 /nfs/dbraw/zinc/14/96/65/180149665.db2.gz IZJRMUMZOSQMQQ-UHFFFAOYSA-N 1 0 287.306 2.157 10 0 CEAERO CC(C)CCN(C)c1cncc(C[NH2+]C(C)C)n1 ZINC000091420552 180150541 /nfs/dbraw/zinc/15/05/41/180150541.db2.gz AAWOLDFBXKNCIQ-UHFFFAOYSA-N 1 0 250.390 2.457 10 0 CEAERO CC(C)c1nn(C)c(N2CC[C@H]([NH+]3CCCCC3)C2)c1N ZINC000091557888 180190908 /nfs/dbraw/zinc/19/09/08/180190908.db2.gz DQXWFTYARBHQJF-ZDUSSCGKSA-N 1 0 291.443 2.190 10 0 CEAERO CC(C)([C@H]([NH3+])c1cncc(F)c1)N1CCCCC1 ZINC000091564597 180193276 /nfs/dbraw/zinc/19/32/76/180193276.db2.gz AKYMNMQSSLKYNA-CYBMUJFWSA-N 1 0 251.349 2.485 10 0 CEAERO CC(C)([C@H]([NH3+])c1ccc(Cl)cc1)N1CCOCC1 ZINC000091566389 180193903 /nfs/dbraw/zinc/19/39/03/180193903.db2.gz HCRQEUHYZYUQTN-CYBMUJFWSA-N 1 0 268.788 2.451 10 0 CEAERO C[NH2+][C@H](c1ccccc1F)C(C)(C)N1CCOCC1 ZINC000091566592 180193909 /nfs/dbraw/zinc/19/39/09/180193909.db2.gz ZBRDKHJZCQAYJV-CQSZACIVSA-N 1 0 266.360 2.197 10 0 CEAERO CC(C)([C@@H]([NH3+])Cc1ccc(Cl)cc1)N1CCOCC1 ZINC000091566218 180194159 /nfs/dbraw/zinc/19/41/59/180194159.db2.gz ZMXJJBPFIRHOLA-AWEZNQCLSA-N 1 0 282.815 2.321 10 0 CEAERO CC(C)([C@@H](N)Cc1ccnc(N)c1)[NH+]1CCCCCC1 ZINC000091567805 180194802 /nfs/dbraw/zinc/19/48/02/180194802.db2.gz QSQUAJTZQHJMKO-AWEZNQCLSA-N 1 0 276.428 2.188 10 0 CEAERO CC(C)([C@H](N)Cc1cnccc1N)[NH+]1CCCCCC1 ZINC000091568001 180194941 /nfs/dbraw/zinc/19/49/41/180194941.db2.gz QOICDHSIIDSHQL-OAHLLOKOSA-N 1 0 276.428 2.188 10 0 CEAERO CC(C)([C@@H](N)c1cccnc1N)[NH+]1CCCCCC1 ZINC000091568086 180195110 /nfs/dbraw/zinc/19/51/10/180195110.db2.gz FUSXRDWBKDODOG-ZDUSSCGKSA-N 1 0 262.401 2.318 10 0 CEAERO C[NH2+][C@H](Cc1cnn(C)c1)C(C)(C)N1CCCCCC1 ZINC000091568174 180195159 /nfs/dbraw/zinc/19/51/59/180195159.db2.gz GTMYQFQQEUPWIJ-OAHLLOKOSA-N 1 0 278.444 2.205 10 0 CEAERO CCn1nc(C)cc1C[C@@H]([NH2+]C)[C@@](C)(CC)N(C)C ZINC000091570629 180195330 /nfs/dbraw/zinc/19/53/30/180195330.db2.gz RCMSBOSSKHCDIC-HUUCEWRRSA-N 1 0 266.433 2.072 10 0 CEAERO CCc1nn(C)c(C[C@H](O)[C@](C)(CC)[NH+](C)C)c1Cl ZINC000091569274 180195491 /nfs/dbraw/zinc/19/54/91/180195491.db2.gz VSVJGKKAYXGQHL-JSGCOSHPSA-N 1 0 287.835 2.270 10 0 CEAERO CC[C@](C)([C@@H](O)c1cc(OC)ccc1OC)[NH+](C)C ZINC000091569515 180195690 /nfs/dbraw/zinc/19/56/90/180195690.db2.gz IHRVHUGTKYQAFP-LSDHHAIUSA-N 1 0 267.369 2.468 10 0 CEAERO CC[C@](C)([C@@H](N)Cc1ccn(C(C)C)n1)[NH+](C)C ZINC000091570083 180195756 /nfs/dbraw/zinc/19/57/56/180195756.db2.gz VXBGBZGCDXCDLR-UONOGXRCSA-N 1 0 252.406 2.064 10 0 CEAERO CC[C@](C)([C@@H](Cc1c(Cl)c(C)nn1C)[NH2+]C)N(C)C ZINC000091570365 180195851 /nfs/dbraw/zinc/19/58/51/180195851.db2.gz JHLFIDJHAGVEFK-TZMCWYRMSA-N 1 0 286.851 2.243 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@@H](N)Cc1ncnn1CC(C)C ZINC000091573474 180196101 /nfs/dbraw/zinc/19/61/01/180196101.db2.gz OWEKZTIWOPPQIK-HOCLYGCPSA-N 1 0 295.475 2.314 10 0 CEAERO CCC[NH2+][C@H](Cc1cc(C)nn1C)[C@@](C)(CC)N(C)C ZINC000091572049 180196159 /nfs/dbraw/zinc/19/61/59/180196159.db2.gz FTWQNKQJQSYQHM-HZPDHXFCSA-N 1 0 280.460 2.370 10 0 CEAERO CCC[NH2+][C@@H](Cc1ncnn1CCC)[C@@](C)(CC)N(C)C ZINC000091572200 180196350 /nfs/dbraw/zinc/19/63/50/180196350.db2.gz QGLHIAVRJJSVIB-GOEBONIOSA-N 1 0 295.475 2.329 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@@H](N)c1cc(C)cnc1N ZINC000091573611 180196408 /nfs/dbraw/zinc/19/64/08/180196408.db2.gz ONAAZFXFGVKSND-DZGCQCFKSA-N 1 0 264.417 2.483 10 0 CEAERO CCn1ccnc1[C@H](O)[C@](C)(CC)[NH+]1CCCC1 ZINC000091602765 180203036 /nfs/dbraw/zinc/20/30/36/180203036.db2.gz XYYZFWDRBXLIAB-JSGCOSHPSA-N 1 0 251.374 2.201 10 0 CEAERO CC[C@](C)([C@H](O)CC1CCOCC1)[NH+]1CCCC1 ZINC000091603462 180203297 /nfs/dbraw/zinc/20/32/97/180203297.db2.gz JTSCQAONHADFHV-HUUCEWRRSA-N 1 0 255.402 2.429 10 0 CEAERO CC[C@@](C)([C@H](Cc1cc(C)nn1C)[NH2+]C)N1CCCC1 ZINC000091606603 180203734 /nfs/dbraw/zinc/20/37/34/180203734.db2.gz NSJXCMANVPILAE-HOTGVXAUSA-N 1 0 278.444 2.124 10 0 CEAERO CCn1nccc1[C@H](NC)[C@@](C)(CC)[NH+]1CCCC1 ZINC000091606077 180204077 /nfs/dbraw/zinc/20/40/77/180204077.db2.gz UXUMPPISRYMHOT-LSDHHAIUSA-N 1 0 264.417 2.428 10 0 CEAERO CC[C@@](C)([C@@H](O)C1CCOCC1)[NH+]1CCCCC1 ZINC000091608287 180204171 /nfs/dbraw/zinc/20/41/71/180204171.db2.gz SPSBSJJDLNDVJW-GJZGRUSLSA-N 1 0 255.402 2.429 10 0 CEAERO CC[C@](C)([C@H](NC)c1cnccc1N)[NH+]1CCCC1 ZINC000091606324 180204250 /nfs/dbraw/zinc/20/42/50/180204250.db2.gz IFZYQIBEJCZHRH-HUUCEWRRSA-N 1 0 262.401 2.189 10 0 CEAERO CC[C@](C)([C@H](O)c1cccnc1N)[NH+]1CCCCC1 ZINC000091608550 180205060 /nfs/dbraw/zinc/20/50/60/180205060.db2.gz UFJUXUAOFKVLDS-UKRRQHHQSA-N 1 0 263.385 2.352 10 0 CEAERO CC[C@@](C)([C@@H](O)c1nccn1C)[NH+]1CCCCC1 ZINC000091608787 180205360 /nfs/dbraw/zinc/20/53/60/180205360.db2.gz ACZUBWCHLVIFII-JSGCOSHPSA-N 1 0 251.374 2.108 10 0 CEAERO CC[C@@](C)([C@H](O)c1cnccc1N)[NH+]1CCCCC1 ZINC000091608881 180205412 /nfs/dbraw/zinc/20/54/12/180205412.db2.gz OGLHWLAHVDOTGS-CABCVRRESA-N 1 0 263.385 2.352 10 0 CEAERO CC[C@@](C)([C@@H](O)Cc1ccnc(N)c1)[NH+]1CCCCC1 ZINC000091608487 180205538 /nfs/dbraw/zinc/20/55/38/180205538.db2.gz MGIFBLUHULQLPM-HOCLYGCPSA-N 1 0 277.412 2.222 10 0 CEAERO CC[C@](C)([C@@H]([NH3+])Cc1cccc(F)c1)N1CCOCC1 ZINC000091611864 180206164 /nfs/dbraw/zinc/20/61/64/180206164.db2.gz JZPRHLAGVIXLPU-JKSUJKDBSA-N 1 0 280.387 2.196 10 0 CEAERO CC[C@](C)([C@H]([NH3+])c1ccc(OC)c(F)c1)N1CCOCC1 ZINC000091612162 180207293 /nfs/dbraw/zinc/20/72/93/180207293.db2.gz HYVCNWFLJVRDSB-HZPDHXFCSA-N 1 0 296.386 2.335 10 0 CEAERO CC[NH+](CC)C(CC)(CC)[C@@H](N)Cc1cc(C)nn1C ZINC000091615976 180207688 /nfs/dbraw/zinc/20/76/88/180207688.db2.gz JTMCVMOTWLWOOZ-HNNXBMFYSA-N 1 0 280.460 2.499 10 0 CEAERO CCn1ncnc1C[C@H](O)C(CC)(CC)[NH+](CC)CC ZINC000091615460 180207844 /nfs/dbraw/zinc/20/78/44/180207844.db2.gz TZGBCZCYRDMXIM-ZDUSSCGKSA-N 1 0 282.432 2.102 10 0 CEAERO CCCn1cc([C@H](N)C(CC)(CC)[NH+](C)C)cn1 ZINC000091614135 180207924 /nfs/dbraw/zinc/20/79/24/180207924.db2.gz GGLSNQJNTCDYGI-ZDUSSCGKSA-N 1 0 252.406 2.413 10 0 CEAERO Cc1cc(F)cc(NC(=O)CCOC2CC[NH2+]CC2)c1 ZINC000091513964 180177076 /nfs/dbraw/zinc/17/70/76/180177076.db2.gz WCJDWLHTOPCIRO-UHFFFAOYSA-N 1 0 280.343 2.231 10 0 CEAERO C[C@](O)(C[NH3+])Cc1nc(C2CCC(C)(C)CC2)no1 ZINC000091523666 180178068 /nfs/dbraw/zinc/17/80/68/180178068.db2.gz VZWCDLRJMSAXKG-CQSZACIVSA-N 1 0 267.373 2.006 10 0 CEAERO CCC1CCC(c2noc(C[C@](C)(O)C[NH3+])n2)CC1 ZINC000091523289 180178329 /nfs/dbraw/zinc/17/83/29/180178329.db2.gz IRXBFMMMDWYBFB-MGULZYLOSA-N 1 0 267.373 2.006 10 0 CEAERO CC(C)n1c2ccc(F)cc2nc1C[C@](C)(O)C[NH3+] ZINC000091522837 180178382 /nfs/dbraw/zinc/17/83/82/180178382.db2.gz KABGQPBEIOGAHS-AWEZNQCLSA-N 1 0 265.332 2.009 10 0 CEAERO CCCOc1ccc([C@@](C)(O)CC[NH2+]CCOC)cc1 ZINC000091519866 180178433 /nfs/dbraw/zinc/17/84/33/180178433.db2.gz XOTFDVSZDUSGJR-INIZCTEOSA-N 1 0 281.396 2.309 10 0 CEAERO [NH3+]C1CC(CNC(=O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000091525393 180178673 /nfs/dbraw/zinc/17/86/73/180178673.db2.gz ILXUEHLXCZKMKV-UHFFFAOYSA-N 1 0 286.297 2.101 10 0 CEAERO O[C@@H](C[NH2+]CC1CC(O)C1)c1cccc(C(F)(F)F)c1 ZINC000091525859 180178765 /nfs/dbraw/zinc/17/87/65/180178765.db2.gz RDGVBTAWHZGHGQ-LDUAJXOISA-N 1 0 289.297 2.099 10 0 CEAERO C[NH+](C)C(C)(C)[C@H](O)Cc1ccn(C2CCCC2)n1 ZINC000091528199 180179720 /nfs/dbraw/zinc/17/97/20/180179720.db2.gz UUTDBOLPTBPAHB-CQSZACIVSA-N 1 0 265.401 2.242 10 0 CEAERO C[NH2+][C@@H](Cc1cc(F)ccc1F)C(C)(C)N(C)C ZINC000091528711 180180717 /nfs/dbraw/zinc/18/07/17/180180717.db2.gz ASFWCDAWWGOCNO-ZDUSSCGKSA-N 1 0 256.340 2.436 10 0 CEAERO CCC[NH2+][C@@H](Cc1cc(C)nn1CC)C(C)(C)N(C)C ZINC000091529490 180180874 /nfs/dbraw/zinc/18/08/74/180180874.db2.gz IJLZJMCDOPXCKW-HNNXBMFYSA-N 1 0 280.460 2.462 10 0 CEAERO CCN(CC)C(C)(C)[C@@H](Cc1cnn(CC)c1)[NH2+]C ZINC000091530757 180180894 /nfs/dbraw/zinc/18/08/94/180180894.db2.gz UJFKOBNRHDMDBM-CQSZACIVSA-N 1 0 266.433 2.154 10 0 CEAERO C[NH2+][C@@H](c1ccc(OC)cc1OC)C(C)(C)N(C)C ZINC000091528582 180180913 /nfs/dbraw/zinc/18/09/13/180180913.db2.gz LRFOBEGRCPQKQD-AWEZNQCLSA-N 1 0 266.385 2.305 10 0 CEAERO CCc1cc(C[C@H]([NH3+])C(C)(C)N2CCCC2)n(CC)n1 ZINC000091533974 180181705 /nfs/dbraw/zinc/18/17/05/180181705.db2.gz FHBZHPQWZBAGNL-HNNXBMFYSA-N 1 0 278.444 2.210 10 0 CEAERO CC[NH2+][C@@H](Cc1cnn(CC)c1)C(C)(C)N1CCCC1 ZINC000091535322 180182316 /nfs/dbraw/zinc/18/23/16/180182316.db2.gz OEBNSFGRVAROAU-HNNXBMFYSA-N 1 0 278.444 2.298 10 0 CEAERO Cc1nc2cc(NC(=O)[C@@H]3CC[C@@H]([NH3+])C3)ccc2o1 ZINC000091539617 180183255 /nfs/dbraw/zinc/18/32/55/180183255.db2.gz CEDCNEKYTXHFKY-NXEZZACHSA-N 1 0 259.309 2.202 10 0 CEAERO C[C@H](NC(=O)[C@H]1CC[C@H]([NH3+])C1)c1ccc(F)cc1F ZINC000091541966 180183602 /nfs/dbraw/zinc/18/36/02/180183602.db2.gz AAZCMGFDOMPANN-QXEWZRGKSA-N 1 0 268.307 2.269 10 0 CEAERO Cc1cc(-c2nnco2)ccc1NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091542117 180184202 /nfs/dbraw/zinc/18/42/02/180184202.db2.gz MBPOHGXSMCLJHE-PWSUYJOCSA-N 1 0 286.335 2.111 10 0 CEAERO CN(CCOc1ccc(Cl)cc1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091543036 180184241 /nfs/dbraw/zinc/18/42/41/180184241.db2.gz HCEHDGXZSQXRBG-AAEUAGOBSA-N 1 0 296.798 2.305 10 0 CEAERO CCN(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)c1ccc(F)cc1 ZINC000091543826 180185141 /nfs/dbraw/zinc/18/51/41/180185141.db2.gz MDRGWQBBAHCVQO-ZYHUDNBSSA-N 1 0 250.317 2.306 10 0 CEAERO CCN(C(=O)[C@H]1CC[C@@H]([NH3+])C1)c1ccc(F)cc1 ZINC000091543827 180185256 /nfs/dbraw/zinc/18/52/56/180185256.db2.gz MDRGWQBBAHCVQO-CMPLNLGQSA-N 1 0 250.317 2.306 10 0 CEAERO CCOc1cc(F)ccc1NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091544065 180185295 /nfs/dbraw/zinc/18/52/95/180185295.db2.gz MOQNOBTUEISQLR-GXSJLCMTSA-N 1 0 266.316 2.290 10 0 CEAERO CC[C@@H](C)N1C(=O)C[C@@H]([NH2+][C@@H](C)Cc2ccsc2)C1=O ZINC000105034589 186038444 /nfs/dbraw/zinc/03/84/44/186038444.db2.gz JQRWGTOJABLCOW-DMDPSCGWSA-N 1 0 294.420 2.195 10 0 CEAERO CCN(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)c1cccc(F)c1 ZINC000091546025 180186867 /nfs/dbraw/zinc/18/68/67/180186867.db2.gz OTXCTQWJRSCOJT-ZYHUDNBSSA-N 1 0 250.317 2.306 10 0 CEAERO CCC(CC)([C@H](O)Cc1ccnc(N)c1)[NH+]1CCCC1 ZINC000091634456 180210443 /nfs/dbraw/zinc/21/04/43/180210443.db2.gz NTIVPCNKLFMLGF-CQSZACIVSA-N 1 0 277.412 2.222 10 0 CEAERO CCC(CC)([C@H](O)C1CCOCC1)[NH+]1CCCC1 ZINC000091634346 180210459 /nfs/dbraw/zinc/21/04/59/180210459.db2.gz LSIBTTZIALVBQU-CQSZACIVSA-N 1 0 255.402 2.429 10 0 CEAERO CCCn1nccc1[C@H](O)C1([NH+](C)C)CCCC1 ZINC000091636795 180210897 /nfs/dbraw/zinc/21/08/97/180210897.db2.gz FFUIAZYBXPXHMY-ZDUSSCGKSA-N 1 0 251.374 2.201 10 0 CEAERO CC[NH+](CC)C1([C@@H](N)c2cnccc2N)CCCC1 ZINC000091639171 180211945 /nfs/dbraw/zinc/21/19/45/180211945.db2.gz ZQXBYNSUKCYIEJ-AWEZNQCLSA-N 1 0 262.401 2.318 10 0 CEAERO CCn1ccnc1[C@@H](N)C1([NH+]2CCCC2)CCCC1 ZINC000091640719 180212889 /nfs/dbraw/zinc/21/28/89/180212889.db2.gz MHDHXTCYTMPUDK-CYBMUJFWSA-N 1 0 262.401 2.311 10 0 CEAERO N[C@@H](Cc1ccncc1)C1([NH+]2CCCC2)CCCC1 ZINC000091640768 180213288 /nfs/dbraw/zinc/21/32/88/180213288.db2.gz MYPLUOZCHYQJNC-HNNXBMFYSA-N 1 0 259.397 2.360 10 0 CEAERO N[C@@H]([C@@H]1CCOC1)C1([NH+]2CCCCC2)CCCC1 ZINC000091641833 180213408 /nfs/dbraw/zinc/21/34/08/180213408.db2.gz DLISJRKMHDDZHO-KGLIPLIRSA-N 1 0 252.402 2.149 10 0 CEAERO [NH3+][C@@H](c1ccccc1)C1(N2CCOCC2)CCCC1 ZINC000091642951 180213876 /nfs/dbraw/zinc/21/38/76/180213876.db2.gz BYAHRPYOHVERML-HNNXBMFYSA-N 1 0 260.381 2.331 10 0 CEAERO C[NH2+][C@H](c1cncc(F)c1)C1(N2CCOCC2)CCCC1 ZINC000091646190 180215138 /nfs/dbraw/zinc/21/51/38/180215138.db2.gz QSYMJXROTZGYFP-OAHLLOKOSA-N 1 0 293.386 2.126 10 0 CEAERO Cc1cnc(N)c([C@@H](N)C2([NH+](C)C)CCCCC2)c1 ZINC000091647069 180215166 /nfs/dbraw/zinc/21/51/66/180215166.db2.gz CPBSWFMFBKRUGE-CYBMUJFWSA-N 1 0 262.401 2.237 10 0 CEAERO C[NH2+][C@H](c1cnccc1C)C1(N2CCOCC2)CCCC1 ZINC000091646176 180215365 /nfs/dbraw/zinc/21/53/65/180215365.db2.gz KTNCMQKJDRXXQA-MRXNPFEDSA-N 1 0 289.423 2.296 10 0 CEAERO CC1CCC(C(=O)c2cnccc2N)([NH+](C)C)CC1 ZINC000091648304 180215478 /nfs/dbraw/zinc/21/54/78/180215478.db2.gz ZXEDPYAGZXHLEQ-UHFFFAOYSA-N 1 0 261.369 2.357 10 0 CEAERO CC(C)n1ncnc1C[C@H](O)C1([NH+](C)C)CCC(C)CC1 ZINC000091648428 180215566 /nfs/dbraw/zinc/21/55/66/180215566.db2.gz JYMUTHRNPAHDLI-BBBYJDLNSA-N 1 0 294.443 2.273 10 0 CEAERO CCn1cc(C[C@H](O)C2([NH+](C)C)CCC(C)CC2)cn1 ZINC000091648451 180215757 /nfs/dbraw/zinc/21/57/57/180215757.db2.gz INNYNTHKZPDQEG-SIWZUTFBSA-N 1 0 279.428 2.317 10 0 CEAERO CC[NH2+][C@H](C1CCOCC1)C1(N2CCOCC2)CCCC1 ZINC000091646234 180215858 /nfs/dbraw/zinc/21/58/58/180215858.db2.gz JJKVUUYNDSJDEH-MRXNPFEDSA-N 1 0 296.455 2.036 10 0 CEAERO Cc1cc(C[C@@H](O)C2([NH+](C)C)CCC(C)CC2)n(C)n1 ZINC000091648504 180216294 /nfs/dbraw/zinc/21/62/94/180216294.db2.gz CHCBMXJAZDKPFF-DSSZZKGTSA-N 1 0 279.428 2.142 10 0 CEAERO CC[N@@H+]1CC[C@H](CNc2nc(Cl)ncc2F)C1 ZINC000091655278 180216822 /nfs/dbraw/zinc/21/68/22/180216822.db2.gz XPBWIFIJDAIABJ-MRVPVSSYSA-N 1 0 258.728 2.023 10 0 CEAERO C[NH2+][C@H](c1cnccn1)[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC000091652601 180216997 /nfs/dbraw/zinc/21/69/97/180216997.db2.gz RORGFHMMQOWEIB-YUELXQCFSA-N 1 0 262.401 2.248 10 0 CEAERO Cc1cnc(Cl)nc1N[C@@H](C[NH+](C)C)C(C)C ZINC000091658487 180218779 /nfs/dbraw/zinc/21/87/79/180218779.db2.gz WGGIAOPJSALZSE-JTQLQIEISA-N 1 0 256.781 2.437 10 0 CEAERO Cc1cccc2c1OCCC[C@H]2[NH2+]C[C@H]1CN(C)CCO1 ZINC000091667513 180223608 /nfs/dbraw/zinc/22/36/08/180223608.db2.gz WUCUXCJSTIZJJT-GOEBONIOSA-N 1 0 290.407 2.129 10 0 CEAERO CC[C@@H](C)n1ccc(C[C@@H](O)CC[NH+](CC)CC)n1 ZINC000091714336 180231536 /nfs/dbraw/zinc/23/15/36/180231536.db2.gz AIXLWGLQNRCCGQ-HIFRSBDPSA-N 1 0 267.417 2.489 10 0 CEAERO C[NH2+][C@H](c1ccc2ccccc2c1)[C@H]1CN(C)CCO1 ZINC000091717574 180232910 /nfs/dbraw/zinc/23/29/10/180232910.db2.gz VCTHAAQHYGMVQP-IAGOWNOFSA-N 1 0 270.376 2.431 10 0 CEAERO CC[NH2+][C@@H](Cc1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000091718520 180233180 /nfs/dbraw/zinc/23/31/80/180233180.db2.gz SNAMVSIFRPUJPM-LSDHHAIUSA-N 1 0 282.815 2.191 10 0 CEAERO CC[NH2+][C@@H](c1ccc(OC(C)C)cc1)[C@H]1CN(C)CCO1 ZINC000091718320 180233234 /nfs/dbraw/zinc/23/32/34/180233234.db2.gz XCIBQDMMNGMJPG-SJORKVTESA-N 1 0 292.423 2.455 10 0 CEAERO CC[NH2+][C@H](c1cc(C)cc(C)c1)[C@@H]1CN(C)CCO1 ZINC000091718231 180233364 /nfs/dbraw/zinc/23/33/64/180233364.db2.gz TZTXYGWAWPPCFZ-JKSUJKDBSA-N 1 0 262.397 2.285 10 0 CEAERO CC[NH2+][C@H](c1ccccc1OCC)[C@@H]1CN(C)CCO1 ZINC000091718791 180233638 /nfs/dbraw/zinc/23/36/38/180233638.db2.gz ULLXLEIVKSPFTN-JKSUJKDBSA-N 1 0 278.396 2.067 10 0 CEAERO CC[NH2+][C@@H](c1cc(F)ccc1C)[C@@H]1CN(C)CCO1 ZINC000091718754 180233747 /nfs/dbraw/zinc/23/37/47/180233747.db2.gz NPKXCEQAWGPVML-GJZGRUSLSA-N 1 0 266.360 2.115 10 0 CEAERO CCC[NH2+][C@H](c1cccs1)[C@@H]1CN(C)CCO1 ZINC000091719539 180234070 /nfs/dbraw/zinc/23/40/70/180234070.db2.gz WKPLMHNIAGTBPN-AAEUAGOBSA-N 1 0 254.399 2.119 10 0 CEAERO CC[NH2+][C@@H](Cc1cc(C)ccc1OC)CN(C)C ZINC000091719712 180234408 /nfs/dbraw/zinc/23/44/08/180234408.db2.gz WJYJMIAHDAGVNJ-AWEZNQCLSA-N 1 0 250.386 2.086 10 0 CEAERO CCC[NH2+][C@@H](Cc1ccccc1C)[C@@H]1CN(C)CCO1 ZINC000091719274 180234520 /nfs/dbraw/zinc/23/45/20/180234520.db2.gz WWGXPMBMKMCLRJ-IRXDYDNUSA-N 1 0 276.424 2.236 10 0 CEAERO COc1ccc(Cl)cc1[C@H](N)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720663 180235433 /nfs/dbraw/zinc/23/54/33/180235433.db2.gz PJSWCSRBIQTXPM-DFBGVHRSSA-N 1 0 296.798 2.212 10 0 CEAERO O[C@@H]1COCC[C@@H]1[NH2+]C1CCC2(CCCC2)CC1 ZINC000624238496 350241392 /nfs/dbraw/zinc/24/13/92/350241392.db2.gz SGZLKICCSANPPS-UONOGXRCSA-N 1 0 253.386 2.229 10 0 CEAERO O=C1N(Cc2cccc3ccccc32)C[C@H]2C[NH2+]CCN12 ZINC000091750554 180246245 /nfs/dbraw/zinc/24/62/45/180246245.db2.gz CIHPHBDKRKNSLF-OAHLLOKOSA-N 1 0 281.359 2.049 10 0 CEAERO CCc1ccc(C(=O)N(CC)C2CC[NH2+]CC2)o1 ZINC000091762445 180247472 /nfs/dbraw/zinc/24/74/72/180247472.db2.gz KSWUDRGUAIYBDY-UHFFFAOYSA-N 1 0 250.342 2.056 10 0 CEAERO CCc1ccc(C(=O)N2CCC[C@H](CC[NH3+])C2)o1 ZINC000091762773 180248370 /nfs/dbraw/zinc/24/83/70/180248370.db2.gz BRABGGSMKXRUDV-LLVKDONJSA-N 1 0 250.342 2.043 10 0 CEAERO COC(=O)c1ccc([C@@H](C)SC[C@H](C)C[NH3+])o1 ZINC000091779575 180251437 /nfs/dbraw/zinc/25/14/37/180251437.db2.gz DSGVXBSRPSTCRL-RKDXNWHRSA-N 1 0 257.355 2.455 10 0 CEAERO C[C@H]([NH3+])c1cccn1CC(=O)Nc1cccc(F)c1 ZINC000091800297 180259487 /nfs/dbraw/zinc/25/94/87/180259487.db2.gz BFDAKPHWUWSALO-JTQLQIEISA-N 1 0 261.300 2.286 10 0 CEAERO C[NH2+]C[C@H]1CCCN([C@@H](C)c2ccc(C(=O)OC)o2)C1 ZINC000091780869 180253753 /nfs/dbraw/zinc/25/37/53/180253753.db2.gz BFMAIKLPXLCABT-NWDGAFQWSA-N 1 0 280.368 2.059 10 0 CEAERO CCC[NH2+]C1CCC(c2nc(CN(C)C)no2)CC1 ZINC000091747676 180245332 /nfs/dbraw/zinc/24/53/32/180245332.db2.gz HKQNYIWZYZNMCZ-UHFFFAOYSA-N 1 0 266.389 2.157 10 0 CEAERO CCN(C(=O)Cc1ccsc1)C1CCC([NH3+])CC1 ZINC000091850441 180272407 /nfs/dbraw/zinc/27/24/07/180272407.db2.gz PQJOQKGKOLBJDR-UHFFFAOYSA-N 1 0 266.410 2.409 10 0 CEAERO CCCN(C(=O)Cc1cccnc1)C1CCC([NH3+])CC1 ZINC000091851947 180272733 /nfs/dbraw/zinc/27/27/33/180272733.db2.gz YDQFGEHUEAUPMM-UHFFFAOYSA-N 1 0 275.396 2.133 10 0 CEAERO CCCN(C(=O)c1ccoc1)C1CCC([NH3+])CC1 ZINC000091852104 180272991 /nfs/dbraw/zinc/27/29/91/180272991.db2.gz QMOCHJRZCIUJAD-UHFFFAOYSA-N 1 0 250.342 2.402 10 0 CEAERO CCCN(c1ccc(C(N)=O)cc1F)C1CCC([NH3+])CC1 ZINC000091852660 180273216 /nfs/dbraw/zinc/27/32/16/180273216.db2.gz ZETQZNASQRKPJH-UHFFFAOYSA-N 1 0 293.386 2.411 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)CC[C@@H]2CCCCO2)CC1 ZINC000091854471 180274807 /nfs/dbraw/zinc/27/48/07/180274807.db2.gz LACIYYYKPCRNCF-NRXISQOPSA-N 1 0 282.428 2.325 10 0 CEAERO C[NH2+][C@@H](C)c1ccn(Cc2nc3ccccc3c(=O)[nH]2)c1 ZINC000091804613 180260192 /nfs/dbraw/zinc/26/01/92/180260192.db2.gz NEBRMACLLJBJII-NSHDSACASA-N 1 0 282.347 2.053 10 0 CEAERO CC[NH2+][C@@H](C)c1ccn(CC(=O)NC(C)(C)CC)c1 ZINC000091805403 180260361 /nfs/dbraw/zinc/26/03/61/180260361.db2.gz AJLFBIGYITVNTB-LBPRGKRZSA-N 1 0 265.401 2.463 10 0 CEAERO CCC[C@H](C)NC(=O)Cn1ccc([C@H]([NH3+])CC)c1 ZINC000091816462 180262064 /nfs/dbraw/zinc/26/20/64/180262064.db2.gz BRLLBNIYHMBURR-WCQYABFASA-N 1 0 251.374 2.203 10 0 CEAERO CC1(C)[C@H]([NH2+][C@@H]2CCC[C@H](O)C2)[C@@H]2CCCO[C@H]21 ZINC000251185029 539791429 /nfs/dbraw/zinc/79/14/29/539791429.db2.gz RQBGNKPXAWTMEI-MBJXGIAVSA-N 1 0 253.386 2.083 10 0 CEAERO CCC[NH2+][C@@H](CCC)c1ccn(CCC(N)=O)c1 ZINC000091823803 180263967 /nfs/dbraw/zinc/26/39/67/180263967.db2.gz KHRAITBGRZRQJQ-ZDUSSCGKSA-N 1 0 251.374 2.204 10 0 CEAERO CCC[C@@H]([NH3+])c1ccn(CCCC(=O)N(C)C)c1 ZINC000091821552 180264145 /nfs/dbraw/zinc/26/41/45/180264145.db2.gz KWBOUVYSKNUTEO-CYBMUJFWSA-N 1 0 251.374 2.156 10 0 CEAERO CC(C)[C@H](C)NC(=O)Cn1ccc([C@@H]([NH3+])C(C)C)c1 ZINC000091825865 180264509 /nfs/dbraw/zinc/26/45/09/180264509.db2.gz VVCBPVOCKOZLEB-WFASDCNBSA-N 1 0 265.401 2.305 10 0 CEAERO CC[NH2+][C@H](c1ccn(CC(=O)NCC2CC2)c1)C(C)C ZINC000091828081 180264610 /nfs/dbraw/zinc/26/46/10/180264610.db2.gz SCGHOCRHPKYGPH-INIZCTEOSA-N 1 0 277.412 2.321 10 0 CEAERO CC(C)[C@H]([NH3+])c1ccn(Cc2ncnn2C(C)C)c1 ZINC000091826280 180265013 /nfs/dbraw/zinc/26/50/13/180265013.db2.gz AZDBQLHYOHHKAN-AWEZNQCLSA-N 1 0 261.373 2.365 10 0 CEAERO NC(=O)c1c(Cl)cccc1NC1CCC([NH3+])CC1 ZINC000091843572 180269322 /nfs/dbraw/zinc/26/93/22/180269322.db2.gz DSYZQIBXOCWYQI-UHFFFAOYSA-N 1 0 267.760 2.121 10 0 CEAERO CCOC(=O)c1nc(CN(C)C2CCC([NH3+])CC2)cs1 ZINC000091847605 180271500 /nfs/dbraw/zinc/27/15/00/180271500.db2.gz QHRBXTQQMOJHKR-UHFFFAOYSA-N 1 0 297.424 2.022 10 0 CEAERO CCN(C(=O)COc1ccccc1)C1CCC([NH3+])CC1 ZINC000091850226 180271773 /nfs/dbraw/zinc/27/17/73/180271773.db2.gz NIGVIKWLBJESMJ-UHFFFAOYSA-N 1 0 276.380 2.184 10 0 CEAERO COC(C[C@](C)(O)C1(C[NH3+])CCCCCC1)OC ZINC000091925760 180287699 /nfs/dbraw/zinc/28/76/99/180287699.db2.gz MXFIKTFJCAMMRB-ZDUSSCGKSA-N 1 0 259.390 2.046 10 0 CEAERO COCC[NH2+]Cc1ncoc1-c1ccccc1F ZINC000091959662 180292178 /nfs/dbraw/zinc/29/21/78/180292178.db2.gz VDBZRIINLCIITI-UHFFFAOYSA-N 1 0 250.273 2.217 10 0 CEAERO C[NH2+]Cc1ncoc1-c1cc(OC)c(OC)c(OC)c1 ZINC000091957668 180292293 /nfs/dbraw/zinc/29/22/93/180292293.db2.gz ZJABCFGAFHMQTF-UHFFFAOYSA-N 1 0 278.308 2.087 10 0 CEAERO CCCN(C(=O)N1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000091969154 180294517 /nfs/dbraw/zinc/29/45/17/180294517.db2.gz FMHAJWUVSBLZFX-ZDUSSCGKSA-N 1 0 253.390 2.056 10 0 CEAERO CC[NH2+]C1CCC(N(C)c2nccn2CC)CC1 ZINC000091870818 180277257 /nfs/dbraw/zinc/27/72/57/180277257.db2.gz RNZICFOIIRBZMP-UHFFFAOYSA-N 1 0 250.390 2.260 10 0 CEAERO CCc1nsc(N(C)C2CCC([NH2+]C)CC2)n1 ZINC000091873602 180279061 /nfs/dbraw/zinc/27/90/61/180279061.db2.gz QHPJTHJMMHZCAY-UHFFFAOYSA-N 1 0 254.403 2.067 10 0 CEAERO CC[C@H](C)[C@@](C)(O)[C@@]1(C[NH3+])COc2ccccc2C1 ZINC000091906595 180284029 /nfs/dbraw/zinc/28/40/29/180284029.db2.gz AQQMAYWSDFQJIL-MAZHCROVSA-N 1 0 263.381 2.364 10 0 CEAERO C[C@@](O)(c1ccc2c(c1)CCCC2)[C@]1(C[NH3+])CCOC1 ZINC000091907016 180284217 /nfs/dbraw/zinc/28/42/17/180284217.db2.gz UIECQUPEGOZFQR-SJORKVTESA-N 1 0 275.392 2.138 10 0 CEAERO CC[C@@](C)(C[NH3+])[C@H](O)c1ccc(OC)c(OC)c1 ZINC000091908873 180284563 /nfs/dbraw/zinc/28/45/63/180284563.db2.gz BHMDDMBHKDENHU-KGLIPLIRSA-N 1 0 253.342 2.112 10 0 CEAERO [NH3+]CC1([C@@H](O)c2ccccc2OC(F)F)CCOCC1 ZINC000091909047 180284755 /nfs/dbraw/zinc/28/47/55/180284755.db2.gz VMOQRXYUTQMMIN-LBPRGKRZSA-N 1 0 287.306 2.077 10 0 CEAERO CC(C)Oc1cccc([C@@H](O)C2(C[NH3+])CCOCC2)c1 ZINC000091908800 180284780 /nfs/dbraw/zinc/28/47/80/180284780.db2.gz ZFPNJMYLHHAIII-OAHLLOKOSA-N 1 0 279.380 2.263 10 0 CEAERO [NH3+]C[C@]1([C@H](O)c2c(Cl)cccc2Cl)CCOC1 ZINC000091909862 180284788 /nfs/dbraw/zinc/28/47/88/180284788.db2.gz GHJFEMINGMKYKT-VXGBXAGGSA-N 1 0 276.163 2.392 10 0 CEAERO CCCC1CCC(C[NH3+])([C@@H](O)[C@@H]2CCOC2)CC1 ZINC000091912168 180285121 /nfs/dbraw/zinc/28/51/21/180285121.db2.gz YKEVUGXJEYPFTG-FUUBYGMNSA-N 1 0 255.402 2.319 10 0 CEAERO [NH3+]C[C@@]1([C@@H](O)c2cccc3ccccc32)CCOC1 ZINC000091910287 180285170 /nfs/dbraw/zinc/28/51/70/180285170.db2.gz URNSWMIQCIAWLQ-HOTGVXAUSA-N 1 0 257.333 2.239 10 0 CEAERO [NH3+]CC1([C@@H](O)c2ccc(C(F)(F)F)cc2)CCOCC1 ZINC000091910565 180285285 /nfs/dbraw/zinc/28/52/85/180285285.db2.gz XIEAGWMMGORNHW-LBPRGKRZSA-N 1 0 289.297 2.494 10 0 CEAERO CC1(C)CCC(C[NH3+])([C@H](O)[C@@H]2CCCOC2)CC1 ZINC000091913517 180285323 /nfs/dbraw/zinc/28/53/23/180285323.db2.gz GGYYCOKSBZMAJZ-CHWSQXEVSA-N 1 0 255.402 2.319 10 0 CEAERO [NH3+]C[C@]1([C@@H](O)c2cccnc2)CCCc2ccccc21 ZINC000091910124 180285351 /nfs/dbraw/zinc/28/53/51/180285351.db2.gz XQRDAWVSKWXMJE-DLBZAZTESA-N 1 0 268.360 2.348 10 0 CEAERO CC(C)C1CCC(C[NH3+])([C@@H](O)[C@H]2CCOC2)CC1 ZINC000091912162 180285379 /nfs/dbraw/zinc/28/53/79/180285379.db2.gz RZFNREFYXQNLJT-GQKFXUNGSA-N 1 0 255.402 2.175 10 0 CEAERO CC1(C)C[C@@](O)([C@@]2(C[NH3+])CCc3ccccc32)CCO1 ZINC000091918948 180286672 /nfs/dbraw/zinc/28/66/72/180286672.db2.gz OGXWQSYNUFISMS-IAGOWNOFSA-N 1 0 275.392 2.149 10 0 CEAERO C[C@@H]1C[C@](O)(C2(C[NH3+])CCC(C)(C)CC2)CCO1 ZINC000091918400 180286705 /nfs/dbraw/zinc/28/67/05/180286705.db2.gz WMQBOEOWCDXWKN-DOMZBBRYSA-N 1 0 255.402 2.462 10 0 CEAERO [NH3+]C[C@]1(C2(O)CCC(=O)CC2)CCCc2ccccc21 ZINC000091924550 180287488 /nfs/dbraw/zinc/28/74/88/180287488.db2.gz QZHGQTAZCZEOLZ-MRXNPFEDSA-N 1 0 273.376 2.094 10 0 CEAERO CCN1CCO[C@H](COc2cc(C)ccc2[C@H](C)[NH3+])C1 ZINC000092051365 180313366 /nfs/dbraw/zinc/31/33/66/180313366.db2.gz ZECCQYXKKPVWRR-KBPBESRZSA-N 1 0 278.396 2.114 10 0 CEAERO CN1CCO[C@@H](COc2ccccc2C[NH2+]C(C)(C)C)C1 ZINC000092054513 180314267 /nfs/dbraw/zinc/31/42/67/180314267.db2.gz PUIZUWGZKDZKHO-OAHLLOKOSA-N 1 0 292.423 2.284 10 0 CEAERO CC(C)CN(CCC(N)=[NH2+])C(=O)N1CCCCCC1 ZINC000091971982 180295499 /nfs/dbraw/zinc/29/54/99/180295499.db2.gz QRCQHIGUKYRYFO-UHFFFAOYSA-N 1 0 268.405 2.266 10 0 CEAERO NC(=[NH2+])[C@H](NC(=O)N1CCCCCC1)C1CCCCC1 ZINC000091972009 180295529 /nfs/dbraw/zinc/29/55/29/180295529.db2.gz ZTGVVRZSSANEKS-CYBMUJFWSA-N 1 0 280.416 2.457 10 0 CEAERO NC(=[NH2+])COc1ccccc1NC(=O)N1CCCCCC1 ZINC000091972020 180295686 /nfs/dbraw/zinc/29/56/86/180295686.db2.gz CBHNXKVZYVGJMO-UHFFFAOYSA-N 1 0 290.367 2.409 10 0 CEAERO [NH3+]C[C@H](Cc1ccccc1)NC(=O)N1CCCCCC1 ZINC000091971941 180295733 /nfs/dbraw/zinc/29/57/33/180295733.db2.gz SSIZPEHYHOGTIS-HNNXBMFYSA-N 1 0 275.396 2.142 10 0 CEAERO CC1CCN(C(=O)N[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000091972833 180296273 /nfs/dbraw/zinc/29/62/73/180296273.db2.gz LWFSUJYTXIBOQA-AWEZNQCLSA-N 1 0 261.369 2.128 10 0 CEAERO C[C@H]1CCCN(C(=O)N(C)CC[C@@H]2CCCC[NH2+]2)C1 ZINC000091973147 180296922 /nfs/dbraw/zinc/29/69/22/180296922.db2.gz UTHFHPDYEXQBTI-KBPBESRZSA-N 1 0 267.417 2.302 10 0 CEAERO CC(C)(C)CC(C)(C)[NH2+][C@@H]1CC(=O)N(C2CC2)C1=O ZINC000105647785 186067370 /nfs/dbraw/zinc/06/73/70/186067370.db2.gz RRVGUUZVQZGRKF-LLVKDONJSA-N 1 0 266.385 2.081 10 0 CEAERO C[C@H]1CCCN(C(=O)Nc2ccccc2OCC(N)=[NH2+])C1 ZINC000091993383 180300318 /nfs/dbraw/zinc/30/03/18/180300318.db2.gz GMUNQCGFAUYBHE-NSHDSACASA-N 1 0 290.367 2.265 10 0 CEAERO C[C@H]1CCCN(C(=O)Nc2ccc(OCC(N)=[NH2+])cc2)C1 ZINC000091993273 180300362 /nfs/dbraw/zinc/30/03/62/180300362.db2.gz ATAGDSUQHHBECL-NSHDSACASA-N 1 0 290.367 2.265 10 0 CEAERO CCC(CC)N(CC[NH3+])C(=O)N1CCC(C)CC1 ZINC000091993175 180300393 /nfs/dbraw/zinc/30/03/93/180300393.db2.gz ZRXBKRBPAPETLZ-UHFFFAOYSA-N 1 0 255.406 2.288 10 0 CEAERO CCCCCNC(=O)[C@H](C)Oc1ccc(C)nc1C[NH2+]C ZINC000091994460 180301157 /nfs/dbraw/zinc/30/11/57/180301157.db2.gz FXWHVUHFSPZXLH-ZDUSSCGKSA-N 1 0 293.411 2.183 10 0 CEAERO Cc1ccc(OCC(=O)NCC(C)C)c(C[NH2+]C(C)C)n1 ZINC000091995353 180302253 /nfs/dbraw/zinc/30/22/53/180302253.db2.gz CFZIDXAWQLUNTB-UHFFFAOYSA-N 1 0 293.411 2.039 10 0 CEAERO CCC[NH2+]Cc1nc(C)ccc1OCC(=O)NC(C)(C)C ZINC000091995248 180302259 /nfs/dbraw/zinc/30/22/59/180302259.db2.gz BHYRMYDXZZMBEY-UHFFFAOYSA-N 1 0 293.411 2.183 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000092132964 180330374 /nfs/dbraw/zinc/33/03/74/180330374.db2.gz CGNKFYRLWMUZDG-NXEZZACHSA-N 1 0 299.212 2.482 10 0 CEAERO COc1c(C)c[nH+]c(C[C@H](O)C(C)(C)OC)c1C ZINC000092138435 180333566 /nfs/dbraw/zinc/33/35/66/180333566.db2.gz BPOGWOSDARAZFL-LBPRGKRZSA-N 1 0 253.342 2.035 10 0 CEAERO C[C@H]1C[NH+](CC(=O)Nc2ccc(Cl)c(N)c2)C[C@@H]1C ZINC000092080954 180319258 /nfs/dbraw/zinc/31/92/58/180319258.db2.gz ADRUKGNCRBWESZ-UWVGGRQHSA-N 1 0 281.787 2.449 10 0 CEAERO CCC[NH2+][C@](C)(CCC[N@@H+]1C[C@H](C)[C@H](C)C1)C(=O)[O-] ZINC000092087792 180321037 /nfs/dbraw/zinc/32/10/37/180321037.db2.gz PHUWRVGXHOTWBC-VNHYZAJKSA-N 1 0 270.417 2.197 10 0 CEAERO CCOC(=O)[C@](C)(C[C@H](C)[N@@H+]1C[C@H](C)[C@H](C)C1)NC1CC1 ZINC000092087672 180321247 /nfs/dbraw/zinc/32/12/47/180321247.db2.gz PBCSAFMTLKJZNT-LOUJCGABSA-N 1 0 296.455 2.427 10 0 CEAERO COc1ccc2nc(NC(=O)[C@H]3C=C[C@H]([NH3+])C3)sc2c1 ZINC000092201433 180342727 /nfs/dbraw/zinc/34/27/27/180342727.db2.gz CEPPRDINALMLDU-IUCAKERBSA-N 1 0 289.360 2.147 10 0 CEAERO CCOc1ccc(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)cc1OCC ZINC000092201361 180342753 /nfs/dbraw/zinc/34/27/53/180342753.db2.gz MLUIKECYWMBXNT-NEPJUHHUSA-N 1 0 290.363 2.326 10 0 CEAERO C[C@H](Cc1ccccc1Cl)NC(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092202519 180342868 /nfs/dbraw/zinc/34/28/68/180342868.db2.gz RXMSDFDEASUSIQ-KGYLQXTDSA-N 1 0 278.783 2.291 10 0 CEAERO COc1cc(Cl)c(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)cc1OC ZINC000092203152 180343239 /nfs/dbraw/zinc/34/32/39/180343239.db2.gz JPTHEHMDFUVTTQ-BDAKNGLRSA-N 1 0 296.754 2.199 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2ccc(Cl)c(F)c2)C1 ZINC000092203344 180343340 /nfs/dbraw/zinc/34/33/40/180343340.db2.gz YAALPOHAMSADEY-HTQZYQBOSA-N 1 0 254.692 2.321 10 0 CEAERO CN(Cc1cccc(Cl)c1)C(=O)[C@H]1C=C[C@H]([NH3+])C1 ZINC000092204435 180343738 /nfs/dbraw/zinc/34/37/38/180343738.db2.gz WWEWRIQNQNUXFO-AAEUAGOBSA-N 1 0 264.756 2.202 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)NC2CCC(C(F)(F)F)CC2)C1 ZINC000092203768 180343873 /nfs/dbraw/zinc/34/38/73/180343873.db2.gz ILVWZMGOBMLGTO-VKAADOFISA-N 1 0 276.302 2.127 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)c(C)c1 ZINC000092204094 180343901 /nfs/dbraw/zinc/34/39/01/180343901.db2.gz XLZIOUHQBIWZIN-BFHYXJOUSA-N 1 0 258.365 2.384 10 0 CEAERO CC(C)N(Cc1cccs1)C(=O)[C@H]1C=C[C@H]([NH3+])C1 ZINC000092206903 180344267 /nfs/dbraw/zinc/34/42/67/180344267.db2.gz SLZLFJKUFVZNSN-RYUDHWBXSA-N 1 0 264.394 2.389 10 0 CEAERO C[C@H](c1cccs1)N(C)C(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092205479 180344339 /nfs/dbraw/zinc/34/43/39/180344339.db2.gz ZHDPFNAJTBFTBM-OUAUKWLOSA-N 1 0 250.367 2.171 10 0 CEAERO CCCCN(CC(F)(F)F)C(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092205063 180344345 /nfs/dbraw/zinc/34/43/45/180344345.db2.gz DGRNSCAITTTZEN-VHSXEESVSA-N 1 0 264.291 2.081 10 0 CEAERO CSc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000092232435 180349407 /nfs/dbraw/zinc/34/94/07/180349407.db2.gz YRPZWUQMIRHLDG-DGCLKSJQSA-N 1 0 264.394 2.266 10 0 CEAERO C[C@@H]1CC[C@H](C[NH3+])CN1C(=O)[C@@H]1CSc2ccccc21 ZINC000092239573 180350678 /nfs/dbraw/zinc/35/06/78/180350678.db2.gz FESYHIHDVFCMOY-YRGRVCCFSA-N 1 0 290.432 2.462 10 0 CEAERO CC(C)([NH3+])c1cn(C[C@@H]2Cc3ccccc3S2)nn1 ZINC000092270307 180355980 /nfs/dbraw/zinc/35/59/80/180355980.db2.gz YCDBMZOXVWXMTN-NSHDSACASA-N 1 0 274.393 2.189 10 0 CEAERO C[C@H](O)[C@](C)(C[NH3+])C[C@@H]1Cc2ccccc2S1 ZINC000092273656 180356558 /nfs/dbraw/zinc/35/65/58/180356558.db2.gz LFBAASBUIAZEDM-JKOKRWQUSA-N 1 0 251.395 2.439 10 0 CEAERO CCOC(=O)CC[NH2+]C[C@H]1CSc2ccccc21 ZINC000092275351 180356669 /nfs/dbraw/zinc/35/66/69/180356669.db2.gz SUBUHKQJMBIRRC-NSHDSACASA-N 1 0 265.378 2.419 10 0 CEAERO C[C@H](C[NH2+]C[C@H]1CSc2ccccc21)N(C)C ZINC000092275333 180356670 /nfs/dbraw/zinc/35/66/70/180356670.db2.gz BUPLYWQZARQNCX-NEPJUHHUSA-N 1 0 250.411 2.416 10 0 CEAERO CC[NH2+]C1CCN(C[C@@H]2COc3ccccc32)CC1 ZINC000092298005 180358365 /nfs/dbraw/zinc/35/83/65/180358365.db2.gz XVBOXFDZKFQRFF-CYBMUJFWSA-N 1 0 260.381 2.237 10 0 CEAERO C[N@H+](CC1CCCC1)C1CCN(CCn2cccn2)CC1 ZINC000105863492 186081307 /nfs/dbraw/zinc/08/13/07/186081307.db2.gz WAISXLYYXPOPTO-UHFFFAOYSA-N 1 0 290.455 2.470 10 0 CEAERO CC(C)[N@@H+](CC(N)=S)C[C@H]1COc2ccccc21 ZINC000092301831 180359198 /nfs/dbraw/zinc/35/91/98/180359198.db2.gz NYAHPQMOQRZXFO-NSHDSACASA-N 1 0 264.394 2.159 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)OCc2ccccc2Cl)C1 ZINC000092177198 180337043 /nfs/dbraw/zinc/33/70/43/180337043.db2.gz ZPDIDIXFOLBDNH-GXSJLCMTSA-N 1 0 251.713 2.287 10 0 CEAERO [NH3+][C@H]1C=C[C@H](c2nc(Cc3cccc(F)c3)no2)C1 ZINC000092181519 180338359 /nfs/dbraw/zinc/33/83/59/180338359.db2.gz CNOULLRYWDXHOV-JQWIXIFHSA-N 1 0 259.284 2.170 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](c2nc(Cc3ccc(F)cc3)no2)C1 ZINC000092181356 180338374 /nfs/dbraw/zinc/33/83/74/180338374.db2.gz SVVGJYKNJBRHGE-CMPLNLGQSA-N 1 0 259.284 2.170 10 0 CEAERO [NH3+][C@H]1C=C[C@H](c2nc(Cc3ccccc3F)no2)C1 ZINC000092181567 180338950 /nfs/dbraw/zinc/33/89/50/180338950.db2.gz OPXXGSFXNDMLGG-QWRGUYRKSA-N 1 0 259.284 2.170 10 0 CEAERO C[NH2+]CCc1c(C)nn(C[C@@H]2COc3ccccc32)c1C ZINC000092306672 180360671 /nfs/dbraw/zinc/36/06/71/180360671.db2.gz XBTCILDRKOMTOD-CQSZACIVSA-N 1 0 285.391 2.438 10 0 CEAERO C[NH2+][C@H](CN1C(=O)C[C@@H](C)C1=O)c1cc2ccccc2o1 ZINC000105832505 186076051 /nfs/dbraw/zinc/07/60/51/186076051.db2.gz GMBCHMROBHDBCF-ZYHUDNBSSA-N 1 0 286.331 2.088 10 0 CEAERO Cc1ccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000105919604 186089292 /nfs/dbraw/zinc/08/92/92/186089292.db2.gz GMMMPLMPDKUTSR-MRXNPFEDSA-N 1 0 270.380 2.499 10 0 CEAERO COCCCCC[NH+]1CCN(Cc2cnc(C)s2)CC1 ZINC000105911057 186090111 /nfs/dbraw/zinc/09/01/11/186090111.db2.gz ZNZKQGULBBVGOY-UHFFFAOYSA-N 1 0 297.468 2.386 10 0 CEAERO CCc1nc(-c2ccccn2)nc(CC)c1CC[NH2+]C ZINC000092318420 180361569 /nfs/dbraw/zinc/36/15/69/180361569.db2.gz ONCTUESSJCTOBQ-UHFFFAOYSA-N 1 0 270.380 2.425 10 0 CEAERO Cc1nn(-c2nc(C)cc(C)n2)c(C)c1C[C@@H](C)C[NH3+] ZINC000092320486 180361773 /nfs/dbraw/zinc/36/17/73/180361773.db2.gz WBDOEIMKHSMOHP-SECBINFHSA-N 1 0 273.384 2.033 10 0 CEAERO CCC[NH2+]CCc1c(C)nn(-c2ccccn2)c1C ZINC000092320713 180361830 /nfs/dbraw/zinc/36/18/30/180361830.db2.gz LEKHSSDFAKEOFG-UHFFFAOYSA-N 1 0 258.369 2.426 10 0 CEAERO Cc1nn(-c2nc3ccccc3[nH]2)c(C)c1C[C@@H](C)[NH3+] ZINC000092320200 180361842 /nfs/dbraw/zinc/36/18/42/180361842.db2.gz CLNRJIFSMYPEBG-SECBINFHSA-N 1 0 269.352 2.255 10 0 CEAERO Cc1noc(C)c1[C@@H](C)N[C@@H]1CCC[N@H+](C)CC1 ZINC000092328419 180363340 /nfs/dbraw/zinc/36/33/40/180363340.db2.gz LCEBSIPDPWGTGY-ZWNOBZJWSA-N 1 0 251.374 2.426 10 0 CEAERO COc1cccc([C@@H](C[NH3+])NCc2ccccc2)c1 ZINC000106024187 186098176 /nfs/dbraw/zinc/09/81/76/186098176.db2.gz XYOWXZDDQYHJAD-MRXNPFEDSA-N 1 0 256.349 2.485 10 0 CEAERO COc1ccc(OC)c([C@H](C[NH3+])NCc2ccccc2)c1 ZINC000106024078 186098354 /nfs/dbraw/zinc/09/83/54/186098354.db2.gz HJCMBBYPNWWNOP-INIZCTEOSA-N 1 0 286.375 2.493 10 0 CEAERO COc1ccc([C@H](C[NH3+])NCc2ccccc2)c(OC)c1 ZINC000106024125 186098365 /nfs/dbraw/zinc/09/83/65/186098365.db2.gz NOUSXWVIVPRDOE-INIZCTEOSA-N 1 0 286.375 2.493 10 0 CEAERO CC[C@H]1CN(Cc2cccc(F)c2)CC[N@@H+]1C[C@@H](C)O ZINC000106103934 186103097 /nfs/dbraw/zinc/10/30/97/186103097.db2.gz UDHRJHWNQIKUSK-CJNGLKHVSA-N 1 0 280.387 2.103 10 0 CEAERO Cc1noc(C)c1CN1CC[NH2+]C2(CCCCC2)C1 ZINC000092342820 180366399 /nfs/dbraw/zinc/36/63/99/180366399.db2.gz CDCIITHMDNJOND-UHFFFAOYSA-N 1 0 263.385 2.400 10 0 CEAERO Cc1cc(NS(=O)(=O)c2cccc(N)c2C)cc[nH+]1 ZINC000092348758 180367470 /nfs/dbraw/zinc/36/74/70/180367470.db2.gz VTIQQXXFCUVPNJ-UHFFFAOYSA-N 1 0 277.349 2.081 10 0 CEAERO C[C@H]1CC[C@H](C[NH3+])CN1Cc1cccc(Cl)n1 ZINC000092366828 180369166 /nfs/dbraw/zinc/36/91/66/180369166.db2.gz DXIYLLFUQMTMOP-WDEREUQCSA-N 1 0 253.777 2.294 10 0 CEAERO NNc1cccc(Cn2ccnc2-c2ccccc2)[nH+]1 ZINC000092370974 180369992 /nfs/dbraw/zinc/36/99/92/180369992.db2.gz FIUKIMVMCSIEPF-UHFFFAOYSA-N 1 0 265.320 2.279 10 0 CEAERO CCn1ncnc1C[C@@]1([NH3+])CCCc2ccc(OC)cc21 ZINC000092367404 180370191 /nfs/dbraw/zinc/37/01/91/180370191.db2.gz AZUFKAZZUDRYBK-INIZCTEOSA-N 1 0 286.379 2.040 10 0 CEAERO O[C@@H](Cc1ccccc1)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886906 186084801 /nfs/dbraw/zinc/08/48/01/186084801.db2.gz FPFKVPKIENWENS-SFHVURJKSA-N 1 0 299.418 2.199 10 0 CEAERO Cc1nn(C)c(C)c1C[NH+]1CCC(Cn2cccn2)CC1 ZINC000105887281 186084967 /nfs/dbraw/zinc/08/49/67/186084967.db2.gz WQGWVGXQMZZNRE-UHFFFAOYSA-N 1 0 287.411 2.146 10 0 CEAERO CCCCS(=O)(=O)[C@H]1CCc2ccc(OC)cc2[C@H]1[NH3+] ZINC000092388676 180374399 /nfs/dbraw/zinc/37/43/99/180374399.db2.gz NESFJXWYVHAQQG-LSDHHAIUSA-N 1 0 297.420 2.225 10 0 CEAERO CCC[S@@](=O)[C@@H]1CCc2ccc(OC)cc2[C@@H]1[NH3+] ZINC000092388855 180374779 /nfs/dbraw/zinc/37/47/79/180374779.db2.gz CQPHAYKNYTYRKI-GLJUWKHASA-N 1 0 267.394 2.169 10 0 CEAERO COC(=O)CCS[C@H]1CCc2ccc(OC)cc2[C@@H]1[NH3+] ZINC000092389407 180375125 /nfs/dbraw/zinc/37/51/25/180375125.db2.gz ADUFHXRNOLRYDY-ZFWWWQNUSA-N 1 0 295.404 2.306 10 0 CEAERO COc1ccc2c(c1)-c1nc(C[NH2+]C3CC3)[nH]c1CC2 ZINC000092389117 180375264 /nfs/dbraw/zinc/37/52/64/180375264.db2.gz QKSVKHOKZNTYLB-UHFFFAOYSA-N 1 0 269.348 2.436 10 0 CEAERO C[NH2+][C@H]1c2cc(OC)ccc2CC[C@H]1SCC(=O)OC ZINC000092389430 180375684 /nfs/dbraw/zinc/37/56/84/180375684.db2.gz QAWQUAOOFPGTJE-HIFRSBDPSA-N 1 0 295.404 2.177 10 0 CEAERO CCc1nn(CC)c(C[NH2+][C@@H](CO)C(C)C)c1Cl ZINC000092400490 180377837 /nfs/dbraw/zinc/37/78/37/180377837.db2.gz FIZLHGBFUBYYSR-NSHDSACASA-N 1 0 273.808 2.225 10 0 CEAERO CC(C)[C@H]1CO[C@@H](c2ccc3c(c2)OCCO3)C[NH2+]1 ZINC000092403381 180378481 /nfs/dbraw/zinc/37/84/81/180378481.db2.gz VSERRWYEDJBIOB-IUODEOHRSA-N 1 0 263.337 2.143 10 0 CEAERO Cc1ccc(C[NH2+][C@@H]2CC(=O)N(C3CCCC3)C2=O)s1 ZINC000106496934 186121142 /nfs/dbraw/zinc/12/11/42/186121142.db2.gz PLRMDWKKCBPTPN-CYBMUJFWSA-N 1 0 292.404 2.216 10 0 CEAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1Cc1cc(Cl)ccn1 ZINC000092417388 180381053 /nfs/dbraw/zinc/38/10/53/180381053.db2.gz ZSBHVMKWNMMUCF-LERXQTSPSA-N 1 0 265.788 2.165 10 0 CEAERO Cc1ccc(C[NH3+])cc1N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000106595566 186128046 /nfs/dbraw/zinc/12/80/46/186128046.db2.gz GGPWCFSDXGARDN-BETUJISGSA-N 1 0 272.348 2.133 10 0 CEAERO Cc1ccc(C[NH3+])cc1N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000106595570 186128117 /nfs/dbraw/zinc/12/81/17/186128117.db2.gz GGPWCFSDXGARDN-CHWSQXEVSA-N 1 0 272.348 2.133 10 0 CEAERO COc1ccc2c(c1)[C@@](C[NH3+])(N(C)C1CC1)CCC2 ZINC000092384605 180373676 /nfs/dbraw/zinc/37/36/76/180373676.db2.gz POHJXKIGIPJETP-MRXNPFEDSA-N 1 0 260.381 2.280 10 0 CEAERO C[NH2+][C@@H]1c2cc(OC)ccc2CC[C@@H]1N1CCCC1 ZINC000092385061 180373947 /nfs/dbraw/zinc/37/39/47/180373947.db2.gz NOAZJYQHAPPLLW-JKSUJKDBSA-N 1 0 260.381 2.366 10 0 CEAERO Fc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)cc1 ZINC000262051220 282980198 /nfs/dbraw/zinc/98/01/98/282980198.db2.gz ZPFYIJJYUWTAAT-BZUAXINKSA-N 1 0 278.371 2.072 10 0 CEAERO Cc1cccc(C[N@@H+](CCC(N)=S)C(C)C)n1 ZINC000092429212 180384406 /nfs/dbraw/zinc/38/44/06/180384406.db2.gz FQYKEQLBEVBGGG-UHFFFAOYSA-N 1 0 251.399 2.277 10 0 CEAERO Cc1cccc(CN2CC(C)(C)[NH2+]C[C@@H]2C2CC2)n1 ZINC000092433347 180384497 /nfs/dbraw/zinc/38/44/97/180384497.db2.gz KXPHEKMALNAQRF-OAHLLOKOSA-N 1 0 259.397 2.352 10 0 CEAERO OCc1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2CO)cc1 ZINC000107800164 186191085 /nfs/dbraw/zinc/19/10/85/186191085.db2.gz QQCGORPROLCJSX-HOTGVXAUSA-N 1 0 263.381 2.067 10 0 CEAERO Cc1cnc2c(c1)nc(N)n2C[C@H](C)[NH+]1CCCCC1 ZINC000092558421 180405019 /nfs/dbraw/zinc/40/50/19/180405019.db2.gz BXWKYNBXVXIETF-LBPRGKRZSA-N 1 0 273.384 2.196 10 0 CEAERO C[C@@H]1C[C@H]([NH3+])Cn2cc(-c3ccc4c(c3)OCO4)nc21 ZINC000107827779 186193869 /nfs/dbraw/zinc/19/38/69/186193869.db2.gz GMUYDFTUVYCKDC-KOLCDFICSA-N 1 0 271.320 2.113 10 0 CEAERO COc1ccccc1-c1cn2c(n1)[C@H](C)C[C@H]([NH3+])C2 ZINC000107827749 186194824 /nfs/dbraw/zinc/19/48/24/186194824.db2.gz YNDDSXBFTFDTIQ-MNOVXSKESA-N 1 0 257.337 2.393 10 0 CEAERO Cc1csc([C@H]2CCCN(C(=O)C[C@@H]3CC[NH2+]C3)C2)n1 ZINC000130648099 365976929 /nfs/dbraw/zinc/97/69/29/365976929.db2.gz WRZMLIWWMUAJMR-STQMWFEESA-N 1 0 293.436 2.157 10 0 CEAERO CC(C)c1ccc([C@@H](O)C[NH2+]C[C@H](C)CO)cc1 ZINC000109122486 186244042 /nfs/dbraw/zinc/24/40/42/186244042.db2.gz NIPKPLOBFJJJHW-WFASDCNBSA-N 1 0 251.370 2.061 10 0 CEAERO CC(=O)NCC[NH2+]Cc1c[nH]c2cc(Cl)ccc12 ZINC000108647174 186225341 /nfs/dbraw/zinc/22/53/41/186225341.db2.gz QSYPKNLLZFUQCG-UHFFFAOYSA-N 1 0 265.744 2.047 10 0 CEAERO CC[NH2+][C@H](Cc1nc(-c2cccnc2)no1)C(C)C ZINC000109495353 186256729 /nfs/dbraw/zinc/25/67/29/186256729.db2.gz XMMLBSVYKPNJCS-GFCCVEGCSA-N 1 0 260.341 2.308 10 0 CEAERO C[NH2+][C@H](C)[C@H](C)c1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000109505709 186257505 /nfs/dbraw/zinc/25/75/05/186257505.db2.gz SDKJZMFOLSNHBZ-VHSXEESVSA-N 1 0 291.351 2.465 10 0 CEAERO C[NH2+][C@@H](C)[C@@H](C)c1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000109505713 186257593 /nfs/dbraw/zinc/25/75/93/186257593.db2.gz SDKJZMFOLSNHBZ-ZJUUUORDSA-N 1 0 291.351 2.465 10 0 CEAERO CC[NH2+][C@@H]1CCCC[C@H]1c1nc(-c2ncccn2)no1 ZINC000109505488 186257743 /nfs/dbraw/zinc/25/77/43/186257743.db2.gz WKUMDIPRBDAABG-GHMZBOCLSA-N 1 0 273.340 2.162 10 0 CEAERO C[NH2+][C@H](C)[C@H](C)c1nc(Cc2ccccc2OC)no1 ZINC000109513441 186258271 /nfs/dbraw/zinc/25/82/71/186258271.db2.gz OEIVLUDANZRCDX-WDEREUQCSA-N 1 0 275.352 2.380 10 0 CEAERO C[NH2+][C@@H]1CCCC[C@@H]1c1nc(Cc2ccncc2)no1 ZINC000109509134 186258452 /nfs/dbraw/zinc/25/84/52/186258452.db2.gz LBFPYKBEFJXFHM-QWHCGFSZSA-N 1 0 272.352 2.301 10 0 CEAERO CCCOCc1noc(C[C@@H]([NH2+]CC)C(C)C)n1 ZINC000109519777 186258751 /nfs/dbraw/zinc/25/87/51/186258751.db2.gz ULTZNXOWLYSRJW-LLVKDONJSA-N 1 0 255.362 2.173 10 0 CEAERO CCC[NH2+][C@H](Cc1nc(CC(F)(F)F)no1)C1CC1 ZINC000109517462 186259133 /nfs/dbraw/zinc/25/91/33/186259133.db2.gz KMXJDXQSZWXZGR-SECBINFHSA-N 1 0 277.290 2.495 10 0 CEAERO NNc1[nH+]c(-c2ccncc2)nc2c1CCCCC2 ZINC000109522257 186259276 /nfs/dbraw/zinc/25/92/76/186259276.db2.gz YGBFZKWPZDUUMM-UHFFFAOYSA-N 1 0 255.325 2.093 10 0 CEAERO CC[NH2+][C@H]1CCCCC[C@@H]1c1nc(CCOC)no1 ZINC000109516985 186259486 /nfs/dbraw/zinc/25/94/86/186259486.db2.gz BFKGVMCHEVVYSJ-RYUDHWBXSA-N 1 0 267.373 2.284 10 0 CEAERO C[C@@H](O)c1ccc(N(C)C[C@H]2CC[N@H+](C)C2)c(F)c1 ZINC000109585128 186263688 /nfs/dbraw/zinc/26/36/88/186263688.db2.gz NPVPKRNNRBFQHN-NEPJUHHUSA-N 1 0 266.360 2.267 10 0 CEAERO CN(C[C@@H]1CCCO1)c1cc(CO)[nH+]c2ccccc21 ZINC000109594448 186265097 /nfs/dbraw/zinc/26/50/97/186265097.db2.gz YTFDLCONTUYFKI-ZDUSSCGKSA-N 1 0 272.348 2.342 10 0 CEAERO [NH3+]Cc1cc(OC[C@@H]2CCOC2)c2ccccc2n1 ZINC000109590746 186265124 /nfs/dbraw/zinc/26/51/24/186265124.db2.gz SWLWQNGFHGKBEC-LLVKDONJSA-N 1 0 258.321 2.109 10 0 CEAERO C[NH+](C)C[C@@H](NC(=O)c1cc[nH]c1)c1ccccc1 ZINC000109250016 186245864 /nfs/dbraw/zinc/24/58/64/186245864.db2.gz KZANNTFSFYTHIK-CQSZACIVSA-N 1 0 257.337 2.047 10 0 CEAERO CC(C)c1ccc(C[NH2+]CCc2nncn2C)cc1 ZINC000109421010 186251584 /nfs/dbraw/zinc/25/15/84/186251584.db2.gz UOLRUAZKJKBTTH-UHFFFAOYSA-N 1 0 258.369 2.271 10 0 CEAERO CC[C@@H](C[NH3+])N1CCN(C(=O)C[C@@H](C)CC(C)(C)C)CC1 ZINC000109448798 186253267 /nfs/dbraw/zinc/25/32/67/186253267.db2.gz XUGXVHSTWHWCJS-CABCVRRESA-N 1 0 297.487 2.330 10 0 CEAERO CCC[C@@H](C(N)=S)[NH+]1CCN(CCC(C)(C)C)CC1 ZINC000109470066 186253524 /nfs/dbraw/zinc/25/35/24/186253524.db2.gz IYRZEYGFLMUXNI-ZDUSSCGKSA-N 1 0 285.501 2.495 10 0 CEAERO CCCCCCN1CC[NH+]([C@H](CC)C(N)=S)CC1 ZINC000109469901 186253690 /nfs/dbraw/zinc/25/36/90/186253690.db2.gz VDHWRPZLHAQBHN-CYBMUJFWSA-N 1 0 271.474 2.249 10 0 CEAERO CCC[C@@H](C(N)=S)[NH+]1CCN(C[C@@H](C)CC)CC1 ZINC000109470205 186254642 /nfs/dbraw/zinc/25/46/42/186254642.db2.gz YVHZSAXIKLNGDC-STQMWFEESA-N 1 0 271.474 2.105 10 0 CEAERO Cc1cc(-c2nc(C(C)(C)N3CC[NH2+]CC3)no2)c(C)o1 ZINC000109475281 186254715 /nfs/dbraw/zinc/25/47/15/186254715.db2.gz LPJYANBLVULTCJ-UHFFFAOYSA-N 1 0 290.367 2.087 10 0 CEAERO CCC[C@@H](c1nc2c(s1)CCC2)N1CC[NH2+]CC1 ZINC000109472721 186254819 /nfs/dbraw/zinc/25/48/19/186254819.db2.gz YOCTVPUTZQFEOE-LBPRGKRZSA-N 1 0 265.426 2.378 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1sccc1C)N1CCNC(=O)C1(C)C ZINC000110653807 186310941 /nfs/dbraw/zinc/31/09/41/186310941.db2.gz HGAUECIIQCTLQU-NEPJUHHUSA-N 1 0 295.452 2.045 10 0 CEAERO COC(=O)[C@H](C[N@H+](CCC(C)C)C1CC1)NC(C)C ZINC000109999568 186281984 /nfs/dbraw/zinc/28/19/84/186281984.db2.gz FHKGWORVLOHNFK-AWEZNQCLSA-N 1 0 270.417 2.037 10 0 CEAERO Cc1cccc(-c2noc([C@@]3(C)CCC[NH2+]C3)n2)n1 ZINC000110473351 186298114 /nfs/dbraw/zinc/29/81/14/186298114.db2.gz UZYGZZPDAXPGDZ-AWEZNQCLSA-N 1 0 258.325 2.081 10 0 CEAERO Cc1cccc(-c2noc(C3(C)CC[NH2+]CC3)n2)n1 ZINC000110473336 186298330 /nfs/dbraw/zinc/29/83/30/186298330.db2.gz SIBNDYWZBDWUPU-UHFFFAOYSA-N 1 0 258.325 2.081 10 0 CEAERO CC[C@H]([NH3+])[C@H](O[C@@H]1CCOC1)c1cccc(OC)c1 ZINC000110525778 186301267 /nfs/dbraw/zinc/30/12/67/186301267.db2.gz JADRIHMGKFKGDD-QLFBSQMISA-N 1 0 265.353 2.279 10 0 CEAERO Clc1cc(C[NH2+]C2CC2)cnc1O[C@@H]1CCOC1 ZINC000110532690 186302044 /nfs/dbraw/zinc/30/20/44/186302044.db2.gz XKLOKRCYEMZCFT-LLVKDONJSA-N 1 0 268.744 2.155 10 0 CEAERO CC[C@H]([NH3+])Cc1noc([C@@H]2COc3ccccc3C2)n1 ZINC000110541033 186302472 /nfs/dbraw/zinc/30/24/72/186302472.db2.gz VXQANZJPFOWNOQ-RYUDHWBXSA-N 1 0 273.336 2.068 10 0 CEAERO OC1(c2cccc3cnccc32)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000110551651 186303295 /nfs/dbraw/zinc/30/32/95/186303295.db2.gz CSALIHYGIPVWGC-OCZCAGDBSA-N 1 0 254.333 2.337 10 0 CEAERO C[C@](O)(c1cccc2cnccc21)[C@@H]1CCC[NH2+]C1 ZINC000110552184 186303401 /nfs/dbraw/zinc/30/34/01/186303401.db2.gz JLWZMVXNLCSLQR-CZUORRHYSA-N 1 0 256.349 2.442 10 0 CEAERO CN(C(=O)Cc1ccc(C[NH3+])cc1)c1ccccc1F ZINC000110613803 186305892 /nfs/dbraw/zinc/30/58/92/186305892.db2.gz YNQAXRCULVCOAN-UHFFFAOYSA-N 1 0 272.323 2.490 10 0 CEAERO CCCOc1cc(N2CC[C@@H]([NH+](C)C)C2)c(N)cc1F ZINC000110641410 186307574 /nfs/dbraw/zinc/30/75/74/186307574.db2.gz MXNAKSHCKVHJKV-LLVKDONJSA-N 1 0 281.375 2.337 10 0 CEAERO CCCN[C@@H](CC[N@H+](C)CC1CCCC1)C(=O)OC ZINC000110841176 186327996 /nfs/dbraw/zinc/32/79/96/186327996.db2.gz GUCRQLPTEFBPBI-AWEZNQCLSA-N 1 0 270.417 2.040 10 0 CEAERO CCN[C@@](C)(CC[N@H+](C)CC1CCCC1)C(=O)OC ZINC000110840603 186328091 /nfs/dbraw/zinc/32/80/91/186328091.db2.gz RXXFTPHILKPZKB-HNNXBMFYSA-N 1 0 270.417 2.040 10 0 CEAERO CN(Cc1ncc(C(C)(C)C)o1)[C@@H]1CCC[NH2+]C1 ZINC000110929196 186333376 /nfs/dbraw/zinc/33/33/76/186333376.db2.gz NFGGVDWOXBUNDP-LLVKDONJSA-N 1 0 251.374 2.156 10 0 CEAERO Cc1cc(Cl)ccc1NC(=O)CN(C)[C@H]1CCC[NH2+]C1 ZINC000110930271 186333497 /nfs/dbraw/zinc/33/34/97/186333497.db2.gz OWPITVLKSBCELG-ZDUSSCGKSA-N 1 0 295.814 2.271 10 0 CEAERO CCN(C(=O)COc1cccc(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000110939418 186334228 /nfs/dbraw/zinc/33/42/28/186334228.db2.gz USENBTLGJJRBDD-CYBMUJFWSA-N 1 0 296.798 2.319 10 0 CEAERO CCOc1cc(CN(CC)[C@H]2CCC[NH2+]C2)ccc1O ZINC000110937003 186334377 /nfs/dbraw/zinc/33/43/77/186334377.db2.gz MPNVFQQXABMUTL-AWEZNQCLSA-N 1 0 278.396 2.365 10 0 CEAERO CCCN(Cc1nnc(C(C)(C)C)o1)[C@H]1CCC[NH2+]C1 ZINC000110946534 186335349 /nfs/dbraw/zinc/33/53/49/186335349.db2.gz GSPTTYRHXAEEOD-LBPRGKRZSA-N 1 0 280.416 2.331 10 0 CEAERO CCN(Cc1cccc(C(=O)OC)c1)[C@H]1CCC[NH2+]C1 ZINC000110943474 186335519 /nfs/dbraw/zinc/33/55/19/186335519.db2.gz UZRGAELLNOVPDE-HNNXBMFYSA-N 1 0 276.380 2.047 10 0 CEAERO CCN(c1cccc(Cl)c1C(N)=O)[C@@H]1CCC[NH2+]C1 ZINC000110947411 186335841 /nfs/dbraw/zinc/33/58/41/186335841.db2.gz ZOQSPSGUKPJPKE-SNVBAGLBSA-N 1 0 281.787 2.017 10 0 CEAERO CCCN(C[C@@H](O)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000110945672 186335972 /nfs/dbraw/zinc/33/59/72/186335972.db2.gz JAPBWSFGPSXUMC-HZPDHXFCSA-N 1 0 262.397 2.184 10 0 CEAERO CCOC(=O)[C@@H](C)Oc1cc(C)ccc1[C@@H](C)[NH3+] ZINC000110958081 186336788 /nfs/dbraw/zinc/33/67/88/186336788.db2.gz FCXHLODVHMSHTE-GHMZBOCLSA-N 1 0 251.326 2.345 10 0 CEAERO Cc1cc(C)c(C[NH3+])c(Oc2ccccc2CO)n1 ZINC000110992361 186339881 /nfs/dbraw/zinc/33/98/81/186339881.db2.gz AOGYGLCDVSDNJS-UHFFFAOYSA-N 1 0 258.321 2.442 10 0 CEAERO [NH3+]C[C@@H](Oc1ccccc1CO)c1ccc(F)cc1 ZINC000110992594 186340019 /nfs/dbraw/zinc/34/00/19/186340019.db2.gz ZYXDQRHMXBFHTF-OAHLLOKOSA-N 1 0 261.296 2.397 10 0 CEAERO CCNc1ccccc1C(=O)N1CC[N@H+](CC)[C@H](C)C1 ZINC000110696575 186312642 /nfs/dbraw/zinc/31/26/42/186312642.db2.gz FYGONEKMENDFCN-CYBMUJFWSA-N 1 0 275.396 2.285 10 0 CEAERO C[N@@H+]1CCN(Cc2cc(N)ccc2Cl)CC1(C)C ZINC000110704429 186313826 /nfs/dbraw/zinc/31/38/26/186313826.db2.gz IWOTYWXRSWOXDJ-UHFFFAOYSA-N 1 0 267.804 2.448 10 0 CEAERO CCNc1ccccc1C(=O)N1CC[N@H+](C)[C@@H](CC)C1 ZINC000110696998 186314973 /nfs/dbraw/zinc/31/49/73/186314973.db2.gz DWXIWENTCNCAQC-ZDUSSCGKSA-N 1 0 275.396 2.285 10 0 CEAERO CS(=O)(=O)CCS[C@H](C[NH3+])c1cccc(Cl)c1 ZINC000111003958 186340975 /nfs/dbraw/zinc/34/09/75/186340975.db2.gz SCJVRKZXJAVWCV-LLVKDONJSA-N 1 0 293.841 2.118 10 0 CEAERO CC[C@@H]1CN(Cc2cc(C=O)ccc2OC)CC[N@@H+]1C ZINC000110729148 186317056 /nfs/dbraw/zinc/31/70/56/186317056.db2.gz VPIGTOURXVTHLA-OAHLLOKOSA-N 1 0 276.380 2.034 10 0 CEAERO CC[C@@H]1CN(C2N=NC(=S)N2C2CCCC2)CC[N@@H+]1C ZINC000110732217 186317156 /nfs/dbraw/zinc/31/71/56/186317156.db2.gz JQARDSDJFHNYEP-LLVKDONJSA-N 1 0 295.456 2.212 10 0 CEAERO CC[C@H]1CN(CC(=O)c2ccc(C)cc2)CC[N@@H+]1C ZINC000110728533 186317298 /nfs/dbraw/zinc/31/72/98/186317298.db2.gz BBBNWRRWVBMMSI-HNNXBMFYSA-N 1 0 260.381 2.204 10 0 CEAERO C[C@H]1CN(CCC(=O)c2ccccc2F)CC[N@@H+]1C ZINC000110743662 186318351 /nfs/dbraw/zinc/31/83/51/186318351.db2.gz RULZRCKOVKQNOS-LBPRGKRZSA-N 1 0 264.344 2.034 10 0 CEAERO CC(C)n1cccc1C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000110791874 186324595 /nfs/dbraw/zinc/32/45/95/186324595.db2.gz JQVSOIUYZKVLSA-ZDUSSCGKSA-N 1 0 263.385 2.189 10 0 CEAERO CC[NH+](CC)CCNc1ccc(F)cc1C(N)=S ZINC000111029613 186346816 /nfs/dbraw/zinc/34/68/16/186346816.db2.gz OEXVWFCARVXWNG-UHFFFAOYSA-N 1 0 269.389 2.214 10 0 CEAERO NC(=S)c1cc(F)ccc1NCCC[NH+]1CCCC1 ZINC000111032800 186347199 /nfs/dbraw/zinc/34/71/99/186347199.db2.gz CMHCGKBQJKZXTJ-UHFFFAOYSA-N 1 0 281.400 2.358 10 0 CEAERO NC(=[NH2+])c1cc(F)ccc1OCCc1ccccn1 ZINC000111035282 186347229 /nfs/dbraw/zinc/34/72/29/186347229.db2.gz KAIHEDBWEZSRJV-UHFFFAOYSA-N 1 0 259.284 2.126 10 0 CEAERO CC(=O)c1sc(N(C)CCC[NH+](C)C)nc1C ZINC000111151227 186360382 /nfs/dbraw/zinc/36/03/82/186360382.db2.gz HEPNOVNRUHHAOE-UHFFFAOYSA-N 1 0 255.387 2.042 10 0 CEAERO COc1ccc(C[N@H+](C)C[C@@H]2CCCOC2)cc1N ZINC000111154685 186360802 /nfs/dbraw/zinc/36/08/02/186360802.db2.gz WNOUHEQORYYAKD-ZDUSSCGKSA-N 1 0 264.369 2.136 10 0 CEAERO CCOc1cccc([C@H](CN)[N@H+](C)CC2CCOCC2)c1 ZINC000111159320 186361846 /nfs/dbraw/zinc/36/18/46/186361846.db2.gz MHOPAEOYTFZRPQ-KRWDZBQOSA-N 1 0 292.423 2.444 10 0 CEAERO C[C@@H](N)[C@H](c1cccs1)[N@H+](C)CC1CCOCC1 ZINC000111156095 186362044 /nfs/dbraw/zinc/36/20/44/186362044.db2.gz HVVDYEBNCPQJBD-BXUZGUMPSA-N 1 0 268.426 2.495 10 0 CEAERO C[C@@H](c1ccccc1)[C@H](CN)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111158274 186362556 /nfs/dbraw/zinc/36/25/56/186362556.db2.gz JJULCPDFQCPUFZ-ZOBUZTSGSA-N 1 0 276.424 2.476 10 0 CEAERO Cc1cc([C@H](C[NH3+])N(C)C[C@@H]2CCCOC2)ccc1F ZINC000111157688 186362744 /nfs/dbraw/zinc/36/27/44/186362744.db2.gz ZEJOIUVWEQBXMT-BBRMVZONSA-N 1 0 280.387 2.492 10 0 CEAERO NC(=[NH2+])c1cc2c(nc1Sc1ccncn1)CCCC2 ZINC000111114358 186353951 /nfs/dbraw/zinc/35/39/51/186353951.db2.gz BJGFFLKLRBULQA-UHFFFAOYSA-N 1 0 285.376 2.186 10 0 CEAERO COC(CNc1ccccc1C[NH+]1CCCC1)OC ZINC000111112554 186354161 /nfs/dbraw/zinc/35/41/61/186354161.db2.gz DWSMURNEKRLOEZ-UHFFFAOYSA-N 1 0 264.369 2.313 10 0 CEAERO Cc1ccc(C(=O)[C@H](C)N(C)CC[NH+](C)C)cc1C ZINC000111139671 186358078 /nfs/dbraw/zinc/35/80/78/186358078.db2.gz CKTFPNPZLDQKJC-AWEZNQCLSA-N 1 0 262.397 2.368 10 0 CEAERO C[N@H+](CC1CCOCC1)[C@@H]1CCc2ccccc2[C@@H]1O ZINC000111168914 186364429 /nfs/dbraw/zinc/36/44/29/186364429.db2.gz RUKHHZHJOUFPMK-SJORKVTESA-N 1 0 275.392 2.393 10 0 CEAERO C[C@@H](C[NH2+]C1CCCC1)N(C)C[C@@H]1CCCOC1 ZINC000111176386 186365668 /nfs/dbraw/zinc/36/56/68/186365668.db2.gz WQDNFGAAMDFUAC-KBPBESRZSA-N 1 0 254.418 2.266 10 0 CEAERO C[N@H+](CC1CCOCC1)C[C@@](C)(CN)c1ccccc1 ZINC000111172841 186365986 /nfs/dbraw/zinc/36/59/86/186365986.db2.gz IESZCFOJZVGCPN-QGZVFWFLSA-N 1 0 276.424 2.261 10 0 CEAERO CCCN(CCC[NH3+])C(=O)[C@H]1CCOc2ccccc21 ZINC000111184170 186366602 /nfs/dbraw/zinc/36/66/02/186366602.db2.gz OXTRGEHKGIXGLI-AWEZNQCLSA-N 1 0 276.380 2.140 10 0 CEAERO CCN(C(=O)[C@H]1CCOc2ccccc21)C1CC[NH2+]CC1 ZINC000111188938 186367336 /nfs/dbraw/zinc/36/73/36/186367336.db2.gz QWMKCVWCPHVPMC-HNNXBMFYSA-N 1 0 288.391 2.153 10 0 CEAERO CC1CCC([N@H+](C)[C@@H](CN)[C@@H]2CCCOC2)CC1 ZINC000111320883 186396925 /nfs/dbraw/zinc/39/69/25/186396925.db2.gz USLAZOBZZRNQSV-JYVUQVBGSA-N 1 0 254.418 2.251 10 0 CEAERO CCN(Cc1cccs1)[C@@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111320887 186397497 /nfs/dbraw/zinc/39/74/97/186397497.db2.gz OSEQUIFPXXZKEW-OCCSQVGLSA-N 1 0 268.426 2.324 10 0 CEAERO C[N@H+]([C@H](CN)[C@@H]1CCCOC1)C1CCCCCC1 ZINC000111320741 186397705 /nfs/dbraw/zinc/39/77/05/186397705.db2.gz SQDAZKRTGYDNJF-UKRRQHHQSA-N 1 0 254.418 2.395 10 0 CEAERO C[NH2+]C[C@@]1(CN(C)Cc2ccsc2)CCCOC1 ZINC000111325235 186398337 /nfs/dbraw/zinc/39/83/37/186398337.db2.gz NYDHCQVHXDFCSQ-CQSZACIVSA-N 1 0 268.426 2.196 10 0 CEAERO CC(C)[NH2+]C[C@@]1(CN(C)CC(F)(F)F)CCCOC1 ZINC000111325927 186398371 /nfs/dbraw/zinc/39/83/71/186398371.db2.gz YSMVNQQCSUARQR-GFCCVEGCSA-N 1 0 282.350 2.275 10 0 CEAERO C[NH2+]C[C@@]1(CN(C)Cc2ccccc2F)CCCOC1 ZINC000111327664 186399751 /nfs/dbraw/zinc/39/97/51/186399751.db2.gz DUOJEVNMCZRGCH-MRXNPFEDSA-N 1 0 280.387 2.274 10 0 CEAERO Cc1cccc(-c2noc([C@@]3(C(F)(F)F)CC[NH2+]C3)n2)n1 ZINC000111241078 186375161 /nfs/dbraw/zinc/37/51/61/186375161.db2.gz OJCPVIAFOOZJCV-GFCCVEGCSA-N 1 0 298.268 2.233 10 0 CEAERO C[C@H](NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)c1cccs1 ZINC000111243758 186375472 /nfs/dbraw/zinc/37/54/72/186375472.db2.gz ZUBVGXIPKAJSEH-GZMMTYOYSA-N 1 0 292.326 2.467 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)o1 ZINC000111244260 186376062 /nfs/dbraw/zinc/37/60/62/186376062.db2.gz CVCPCGMWAUIKHO-JOYOIKCWSA-N 1 0 290.285 2.307 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1c1nc(-c2ccc(F)c(F)c2)no1 ZINC000111256465 186379003 /nfs/dbraw/zinc/37/90/03/186379003.db2.gz YTJOZLRKFAAWNA-VXNVDRBHSA-N 1 0 265.263 2.338 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000111265250 186381332 /nfs/dbraw/zinc/38/13/32/186381332.db2.gz PODNOTGHALBUDD-TVYUQYBPSA-N 1 0 294.395 2.334 10 0 CEAERO CC(C)[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@@H]1C)c1ccccc1 ZINC000111265237 186381600 /nfs/dbraw/zinc/38/16/00/186381600.db2.gz LASLDEFKCIDWHA-NWANDNLSSA-N 1 0 260.381 2.355 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc2cnccc21 ZINC000111265023 186381646 /nfs/dbraw/zinc/38/16/46/186381646.db2.gz NOZGHXJMAXGLRP-ZWNOBZJWSA-N 1 0 255.321 2.029 10 0 CEAERO CCC(=O)Nc1ccc(C)c(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000111264851 186381766 /nfs/dbraw/zinc/38/17/66/186381766.db2.gz ZWLVDAIJHZUSDC-DGCLKSJQSA-N 1 0 289.379 2.138 10 0 CEAERO COc1cc(Cl)c(NC(=O)[C@H]2C[NH2+]C[C@H]2C)cc1OC ZINC000111265877 186382483 /nfs/dbraw/zinc/38/24/83/186382483.db2.gz JSGZIWPMJGZVKU-BDAKNGLRSA-N 1 0 298.770 2.151 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(Cl)cc1F ZINC000111265999 186382583 /nfs/dbraw/zinc/38/25/83/186382583.db2.gz DYWDLTWYSOEDSP-APPZFPTMSA-N 1 0 256.708 2.273 10 0 CEAERO CC(C)C(=O)Nc1cccc(NC(=O)[C@H]2C[NH2+]C[C@H]2C)c1 ZINC000111266420 186382789 /nfs/dbraw/zinc/38/27/89/186382789.db2.gz OTNTXLAXPYCVHI-RISCZKNCSA-N 1 0 289.379 2.075 10 0 CEAERO CCc1nc2cc(NC(=O)[C@@H]3C[NH2+]C[C@H]3C)ccc2o1 ZINC000111267797 186383415 /nfs/dbraw/zinc/38/34/15/186383415.db2.gz QPKBHHGMYFAXTM-MWLCHTKSSA-N 1 0 273.336 2.184 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC[C@@H]1Cc1ccccc1 ZINC000111268486 186384220 /nfs/dbraw/zinc/38/42/20/186384220.db2.gz YZPXNCXURBORRG-IMJJTQAJSA-N 1 0 272.392 2.076 10 0 CEAERO Cc1ccc([C@@H](C)N(C)C(=O)[C@@H]2C[NH2+]C[C@@H]2C)s1 ZINC000111269623 186384378 /nfs/dbraw/zinc/38/43/78/186384378.db2.gz QNSJRDDFCREXPR-MVWJERBFSA-N 1 0 266.410 2.431 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)N1CC=C(c2ccccc2)CC1 ZINC000111268535 186384539 /nfs/dbraw/zinc/38/45/39/186384539.db2.gz OOUHRKTZOYCOBV-XJKSGUPXSA-N 1 0 270.376 2.158 10 0 CEAERO C[C@H](NC(=O)[C@H]1C[NH2+]C[C@H]1C)c1ccccc1Cl ZINC000111271505 186384572 /nfs/dbraw/zinc/38/45/72/186384572.db2.gz UKCXSIMUVYQQTE-SCVCMEIPSA-N 1 0 266.772 2.373 10 0 CEAERO CC[C@@H](C)c1nc(C)c(CC[NH2+]CCOC)c(C)n1 ZINC000111275429 186385281 /nfs/dbraw/zinc/38/52/81/186385281.db2.gz JZLXDYMGLJTNAN-LLVKDONJSA-N 1 0 265.401 2.385 10 0 CEAERO CC[C@@H](NC(=O)c1ccc(C[NH3+])cn1)c1ccccc1 ZINC000111282279 186387844 /nfs/dbraw/zinc/38/78/44/186387844.db2.gz APTHDBGXXJIMNH-CQSZACIVSA-N 1 0 269.348 2.421 10 0 CEAERO Cc1ccccc1[C@H](C)NC(=O)c1ccc(C[NH3+])cn1 ZINC000111281851 186387889 /nfs/dbraw/zinc/38/78/89/186387889.db2.gz BFVXEHMWAZOGFJ-LBPRGKRZSA-N 1 0 269.348 2.340 10 0 CEAERO [NH3+]Cc1ccc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)nc1 ZINC000111281612 186388024 /nfs/dbraw/zinc/38/80/24/186388024.db2.gz ZNJJLWNIOFXEJL-KBPBESRZSA-N 1 0 273.380 2.193 10 0 CEAERO C[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc(C[NH3+])cn1 ZINC000111282020 186388481 /nfs/dbraw/zinc/38/84/81/186388481.db2.gz GMFKWSNXGPCYGE-SMDDNHRTSA-N 1 0 261.369 2.191 10 0 CEAERO [NH3+]Cc1ccc(C(=O)Nc2cccc3ncccc32)nc1 ZINC000111281223 186389071 /nfs/dbraw/zinc/38/90/71/186389071.db2.gz NACKSTYTMVNVHY-UHFFFAOYSA-N 1 0 278.315 2.341 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1ccc2[nH]ccc2c1 ZINC000111288941 186390910 /nfs/dbraw/zinc/39/09/10/186390910.db2.gz YXAABAPIJRFBRT-OCCSQVGLSA-N 1 0 257.337 2.168 10 0 CEAERO CC[C@@H](C)N(CCOC)c1nc2ccccn2c1CC[NH3+] ZINC000111485374 186422845 /nfs/dbraw/zinc/42/28/45/186422845.db2.gz ANDHHKRWAMNBDB-CYBMUJFWSA-N 1 0 290.411 2.087 10 0 CEAERO CC(C)C[C@@H](C)N(C)C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111614568 186431589 /nfs/dbraw/zinc/43/15/89/186431589.db2.gz GJIKGIDSDRMNGU-ZYHUDNBSSA-N 1 0 280.334 2.421 10 0 CEAERO c1nc(CNC[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)cs1 ZINC000111630229 186433901 /nfs/dbraw/zinc/43/39/01/186433901.db2.gz QAYPURDTKMHHST-GVXVVHGQSA-N 1 0 251.399 2.153 10 0 CEAERO CC[NH2+]C[C@@H]1CCCCN1Cc1nc(C(C)C)no1 ZINC000111701624 186446157 /nfs/dbraw/zinc/44/61/57/186446157.db2.gz BVIVREDZXQZRSP-LBPRGKRZSA-N 1 0 266.389 2.157 10 0 CEAERO C[NH2+][C@@H](C)[C@@H]1CCCN(CC(=O)Nc2ccccc2F)C1 ZINC000111706117 186447395 /nfs/dbraw/zinc/44/73/95/186447395.db2.gz MUZIAGUBGZPKAL-QWHCGFSZSA-N 1 0 293.386 2.084 10 0 CEAERO CC[NH2+][C@H](C)[C@@H]1CCCCN1[C@@H](C)C(=O)NC1CCCC1 ZINC000111711291 186448436 /nfs/dbraw/zinc/44/84/36/186448436.db2.gz LLJINRFMIFJYFI-YCPHGPKFSA-N 1 0 295.471 2.286 10 0 CEAERO CC[NH2+][C@H](C)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000111715566 186450396 /nfs/dbraw/zinc/45/03/96/186450396.db2.gz DZDGQQCJKYCWDZ-UKRRQHHQSA-N 1 0 296.436 2.228 10 0 CEAERO C[NH2+][C@H](C)[C@@H]1CCCN(S(=O)(=O)c2cccc(C)c2)C1 ZINC000111713896 186450415 /nfs/dbraw/zinc/45/04/15/186450415.db2.gz IFKRMYXXOAGLHK-ZIAGYGMSSA-N 1 0 296.436 2.004 10 0 CEAERO C[C@@H]1C[C@@H]1C[N@H+](C)CCC(=O)Nc1ccc(F)cc1N ZINC000111765750 186455028 /nfs/dbraw/zinc/45/50/28/186455028.db2.gz MOWUAPUWQLRKKY-GHMZBOCLSA-N 1 0 279.359 2.324 10 0 CEAERO CCCCN(CC[NH3+])C(=O)c1ccc(OC(F)F)cc1 ZINC000111362791 186405619 /nfs/dbraw/zinc/40/56/19/186405619.db2.gz RAFWNPUYMNZESQ-UHFFFAOYSA-N 1 0 286.322 2.489 10 0 CEAERO COc1ccc(CCC(=O)N2CCC[C@H]2CCC[NH3+])cc1 ZINC000111371135 186408896 /nfs/dbraw/zinc/40/88/96/186408896.db2.gz BZZVXNYYJGGGQC-OAHLLOKOSA-N 1 0 290.407 2.358 10 0 CEAERO CCOc1ccccc1C(=O)N1CCC[C@@H]1CCC[NH3+] ZINC000111370901 186408977 /nfs/dbraw/zinc/40/89/77/186408977.db2.gz IRYFONPIQPOUQQ-ZDUSSCGKSA-N 1 0 276.380 2.429 10 0 CEAERO C[C@@H]1CCC[C@](C[NH3+])(N2C(=O)CC3(CCCC3)C2=O)C1 ZINC000111382465 186411385 /nfs/dbraw/zinc/41/13/85/186411385.db2.gz FRULLZKLSGBOOT-WBMJQRKESA-N 1 0 278.396 2.213 10 0 CEAERO CC[C@H]([NH3+])Cc1cc(C)ccc1OCCCS(C)(=O)=O ZINC000112754656 186530141 /nfs/dbraw/zinc/53/01/41/186530141.db2.gz ARZWPQIDEMKRBI-AWEZNQCLSA-N 1 0 299.436 2.088 10 0 CEAERO COC[C@H]1CCC[N@H+](C[C@](C)(O)c2ccccc2)C1 ZINC000112988554 186548710 /nfs/dbraw/zinc/54/87/10/186548710.db2.gz BAYLJKMUHRXFIJ-HOCLYGCPSA-N 1 0 263.381 2.253 10 0 CEAERO CN(C)c1ncc(C[NH2+][C@@H]2CCOc3ccccc32)n1C ZINC000070143346 363037086 /nfs/dbraw/zinc/03/70/86/363037086.db2.gz WOZSRPZMJDMFJQ-CQSZACIVSA-N 1 0 286.379 2.100 10 0 CEAERO CN(Cc1ccco1)C(=O)C(C)(C)[C@H]1CCC[NH2+]C1 ZINC000120272909 186888627 /nfs/dbraw/zinc/88/86/27/186888627.db2.gz ABZYIRHWNPXDLR-LBPRGKRZSA-N 1 0 264.369 2.264 10 0 CEAERO Cc1cc(N2C[C@H](C)[C@@H](C[NH3+])C2)ncc1Br ZINC000630092481 351615596 /nfs/dbraw/zinc/61/55/96/351615596.db2.gz KFPBVWLRBVWGNI-UWVGGRQHSA-N 1 0 284.201 2.184 10 0 CEAERO COc1ccc(-c2nc(C)cc(N3CCC([NH3+])CC3)n2)cc1 ZINC000070451830 363083430 /nfs/dbraw/zinc/08/34/30/363083430.db2.gz XNAZTUKDPJWYLP-UHFFFAOYSA-N 1 0 298.390 2.388 10 0 CEAERO OC[C@@H]1CSCC[N@@H+]1Cc1ccc2ccccc2n1 ZINC000336499213 213374947 /nfs/dbraw/zinc/37/49/47/213374947.db2.gz HIOHXAYZDYCRAD-CQSZACIVSA-N 1 0 274.389 2.145 10 0 CEAERO c1c(-c2ccccc2)nn2ccnc(N3CCC[NH2+]CC3)c12 ZINC000070458570 363086093 /nfs/dbraw/zinc/08/60/93/363086093.db2.gz AGBYPCXYFMRLJB-UHFFFAOYSA-N 1 0 293.374 2.196 10 0 CEAERO CCCc1cc(N2CC[C@@H]([NH3+])C2)nc(-c2cccnc2)n1 ZINC000070455892 363085076 /nfs/dbraw/zinc/08/50/76/363085076.db2.gz ZJMJKSOPGYNLLC-CYBMUJFWSA-N 1 0 283.379 2.029 10 0 CEAERO CO[C@@H]1CN(CCOc2cccc(Cl)c2)[C@@](C)(C[NH3+])C1 ZINC000630359311 351710655 /nfs/dbraw/zinc/71/06/55/351710655.db2.gz FNEKESSXOFEYIZ-LSDHHAIUSA-N 1 0 298.814 2.157 10 0 CEAERO CO[C@@H]1CN(Cc2cc(C)ccc2C)[C@](C)(C[NH3+])C1 ZINC000630358532 351710962 /nfs/dbraw/zinc/71/09/62/351710962.db2.gz BMYGDTDQNBNWER-HOTGVXAUSA-N 1 0 262.397 2.242 10 0 CEAERO CO[C@@H]1CN(Cc2ccc(F)cc2Cl)[C@@](C)(C[NH3+])C1 ZINC000630363884 351713074 /nfs/dbraw/zinc/71/30/74/351713074.db2.gz SRSPYTKXTDZAMW-GXTWGEPZSA-N 1 0 286.778 2.417 10 0 CEAERO CCCC[C@@H](CC)C[N@@H+]1CCC(O)=C(C(=O)OC)C1 ZINC000070460766 363088100 /nfs/dbraw/zinc/08/81/00/363088100.db2.gz LTRLWTREJPLHDV-CHWSQXEVSA-N 1 0 269.385 2.267 10 0 CEAERO Cc1nc2ccccc2nc1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000630534038 351775288 /nfs/dbraw/zinc/77/52/88/351775288.db2.gz SUNVIZJAFIRURP-PWSUYJOCSA-N 1 0 256.353 2.491 10 0 CEAERO Cc1sc2ncnc(N3C[C@@H](C)[C@@H](C[NH3+])C3)c2c1C ZINC000630566743 351788041 /nfs/dbraw/zinc/78/80/41/351788041.db2.gz FYHBQKCXDHORAR-KCJUWKMLSA-N 1 0 276.409 2.339 10 0 CEAERO CC(C)[C@@H](C)[NH2+][C@H](C)CS(=O)(=O)c1ccccc1 ZINC000121987455 187008753 /nfs/dbraw/zinc/00/87/53/187008753.db2.gz OLIBJDLRTDOKNP-CHWSQXEVSA-N 1 0 269.410 2.483 10 0 CEAERO CC(C)n1cccc1C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000121997930 187009202 /nfs/dbraw/zinc/00/92/02/187009202.db2.gz XXIZFFCLADZRKF-UONOGXRCSA-N 1 0 275.396 2.378 10 0 CEAERO C[C@H]1CC[C@@H](C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)O1 ZINC000131718478 366080773 /nfs/dbraw/zinc/08/07/73/366080773.db2.gz LKHLOVBQMUOVLG-FZKCQIBNSA-N 1 0 296.455 2.428 10 0 CEAERO CCCC[C@@H](C[NH3+])Nc1ccc(S(=O)(=O)CC)cc1 ZINC000130541406 187502196 /nfs/dbraw/zinc/50/21/96/187502196.db2.gz ZJVLOTUCSAKUTM-ZDUSSCGKSA-N 1 0 284.425 2.410 10 0 CEAERO CCn1cc(C[N@@H+]2CCC[C@@H](n3cc(C)cn3)C2)cn1 ZINC000122993920 187064242 /nfs/dbraw/zinc/06/42/42/187064242.db2.gz POZWBZAJDFQUIV-OAHLLOKOSA-N 1 0 273.384 2.245 10 0 CEAERO C[C@@H](C[NH2+][C@@H](C)c1ccccc1F)N1CCOCC1 ZINC000123210978 187078157 /nfs/dbraw/zinc/07/81/57/187078157.db2.gz CPJSFUCZQLSCRQ-STQMWFEESA-N 1 0 266.360 2.197 10 0 CEAERO C[C@H](C[NH2+][C@@H]1c2ccccc2C[C@H]1C)N1CCOCC1 ZINC000123334741 187085561 /nfs/dbraw/zinc/08/55/61/187085561.db2.gz VJWMWXDZYLXRTL-CPUCHLNUSA-N 1 0 274.408 2.230 10 0 CEAERO Cc1ccsc1[C@H](C)[NH2+]C[C@@H](C)N1CCOCC1 ZINC000123357439 187087205 /nfs/dbraw/zinc/08/72/05/187087205.db2.gz NZJBRSYDZGTIFF-OLZOCXBDSA-N 1 0 268.426 2.428 10 0 CEAERO CCc1nn(C)c(CC)c1CN(C)C[C@@H]1CCC[N@H+]1CC ZINC000123461592 187093514 /nfs/dbraw/zinc/09/35/14/187093514.db2.gz FCOBWBNOKDBZPZ-AWEZNQCLSA-N 1 0 292.471 2.461 10 0 CEAERO [NH3+]C[C@@H]1CCCN1Cc1coc(-c2ccccc2)n1 ZINC000123475216 187094397 /nfs/dbraw/zinc/09/43/97/187094397.db2.gz FUDHPBFFCWIQGD-AWEZNQCLSA-N 1 0 257.337 2.265 10 0 CEAERO CC[C@H](O)C[NH+]1CCN(C/C=C/c2ccc(F)cc2)CC1 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ATWKRZBJCXEZQD-GDBMZVCRSA-N 1 0 298.390 2.245 10 0 CEAERO CC[NH2+]CCCNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000037921547 540182300 /nfs/dbraw/zinc/18/23/00/540182300.db2.gz IDSQELCYJJMVET-CVEARBPZSA-N 1 0 290.407 2.270 10 0 CEAERO CCOC1(C)CC[NH+](C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000385262052 540227721 /nfs/dbraw/zinc/22/77/21/540227721.db2.gz WDWNPSONGXCZPD-ZIAGYGMSSA-N 1 0 255.402 2.429 10 0 CEAERO C[C@H](C[C@H]1COCCN1)[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000133673414 366246896 /nfs/dbraw/zinc/24/68/96/366246896.db2.gz OJGSVTKDCIJMKR-LUCZXWKPSA-N 1 0 278.440 2.168 10 0 CEAERO C[C@@H]1OCC[C@@]1([NH3+])c1cscc1Br ZINC000575560946 366296326 /nfs/dbraw/zinc/29/63/26/366296326.db2.gz LYZKWNIZYMSDFR-RCOVLWMOSA-N 1 0 262.172 2.473 10 0 CEAERO Cc1nc2ccccc2nc1NC[C@H]1CCCC[NH2+]1 ZINC000052099577 538874178 /nfs/dbraw/zinc/87/41/78/538874178.db2.gz RONPIXITUWFBSO-GFCCVEGCSA-N 1 0 256.353 2.492 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)NCCc1ccc(Cl)s1 ZINC000225809980 538881197 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C/C=C(\C)C(=O)N1CC[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000685939281 540635007 /nfs/dbraw/zinc/63/50/07/540635007.db2.gz YNDLGRIKWYJKML-JMBCATMQSA-N 1 0 276.355 2.435 10 0 CEAERO Cc1cccc([C@H](C)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000151340552 366639339 /nfs/dbraw/zinc/63/93/39/366639339.db2.gz MSCPQLCXQXRJNJ-RDJZCZTQSA-N 1 0 276.424 2.492 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Cc1cccc(OC)c1 ZINC000176963767 189017295 /nfs/dbraw/zinc/01/72/95/189017295.db2.gz XTZKFTDBGNASRK-OAHLLOKOSA-N 1 0 290.407 2.180 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CCc1c(C)noc1C ZINC000177012141 189020784 /nfs/dbraw/zinc/02/07/84/189020784.db2.gz ODDSCVDFQYBVOQ-CQSZACIVSA-N 1 0 293.411 2.167 10 0 CEAERO CCC[C@H](C)NC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000673849753 540700583 /nfs/dbraw/zinc/70/05/83/540700583.db2.gz XLRSIKPPFCSGAT-STQMWFEESA-N 1 0 255.406 2.301 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)c1ccccn1 ZINC000177334532 189044364 /nfs/dbraw/zinc/04/43/64/189044364.db2.gz WZYOXKBGYOYCMM-UONOGXRCSA-N 1 0 290.411 2.268 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccsc1 ZINC000177366783 189046288 /nfs/dbraw/zinc/04/62/88/189046288.db2.gz UFYAENSJFRPWQU-CYBMUJFWSA-N 1 0 281.425 2.374 10 0 CEAERO Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@H](O)Cc1ccccc1 ZINC000178751897 189143217 /nfs/dbraw/zinc/14/32/17/189143217.db2.gz DGKQEQCEWKPNPB-QZTJIDSGSA-N 1 0 299.418 2.260 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]2CN(c3ccncc3Cl)C[C@@H]21 ZINC000230135105 283579959 /nfs/dbraw/zinc/57/99/59/283579959.db2.gz BUUOTDGUJROTHQ-JFGNBEQYSA-N 1 0 251.761 2.299 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)Nc1cccc2c1OCCC2 ZINC000261677204 283586526 /nfs/dbraw/zinc/58/65/26/283586526.db2.gz GNVIBZOUXFWFKI-QWHCGFSZSA-N 1 0 274.364 2.468 10 0 CEAERO CCC[C@@H](C(=O)N[C@@H]1CCOc2ccc(F)cc21)[NH+](C)C ZINC000179260920 189181148 /nfs/dbraw/zinc/18/11/48/189181148.db2.gz NFKNXNGKRFQLAD-KGLIPLIRSA-N 1 0 294.370 2.496 10 0 CEAERO CCC[C@H](C(=O)NCCc1ccc2c(c1)CCO2)[NH+](C)C ZINC000179329370 189186304 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c1nc2n(n1)C[C@@H]([NH2+][C@H]1CCSc3ccccc31)CC2 ZINC000180579314 189263287 /nfs/dbraw/zinc/26/32/87/189263287.db2.gz CYWDOHVLOZZGNK-AAEUAGOBSA-N 1 0 286.404 2.420 10 0 CEAERO [NH3+]CCCc1ccc(I)cc1 ZINC000001603214 361211301 /nfs/dbraw/zinc/21/13/01/361211301.db2.gz NJVIPCUXBHUAII-UHFFFAOYSA-N 1 0 261.106 2.183 10 0 CEAERO CCc1nn(C)cc1C[NH+]1CCC(c2ccnn2C)CC1 ZINC000179981480 542259298 /nfs/dbraw/zinc/25/92/98/542259298.db2.gz ZWQZPPMTWQWXRV-UHFFFAOYSA-N 1 0 287.411 2.096 10 0 CEAERO COc1cc(Br)c([C@@H](C)[NH3+])cc1OC ZINC000003705533 361289104 /nfs/dbraw/zinc/28/91/04/361289104.db2.gz WHORZMQWPCLXPR-ZCFIWIBFSA-N 1 0 260.131 2.486 10 0 CEAERO Cc1nc(-c2ccco2)cc([C@H]2C[N@@H+]3CC[C@H]2C[C@@H]3CO)n1 ZINC000008623382 361342646 /nfs/dbraw/zinc/34/26/46/361342646.db2.gz CGTCYNFBUSDQCF-MJBXVCDLSA-N 1 0 299.374 2.215 10 0 CEAERO Cc1cc(Oc2ccc(NC(=O)[C@@H]3CCC[NH2+]3)cc2)n[nH]1 ZINC000182490984 189325778 /nfs/dbraw/zinc/32/57/78/189325778.db2.gz WJAGVIYFRJIZPO-ZDUSSCGKSA-N 1 0 286.335 2.201 10 0 CEAERO CNC(=O)[C@H](C)CN(C)c1cc[nH+]c2c(C)cccc12 ZINC000301646367 201114556 /nfs/dbraw/zinc/11/45/56/201114556.db2.gz DDFMRAZATOOBBL-GFCCVEGCSA-N 1 0 271.364 2.362 10 0 CEAERO C[C@@H]1CC[C@@H](C(=O)N2CC[NH+](C3CCCCC3)CC2)O1 ZINC000154939454 366798523 /nfs/dbraw/zinc/79/85/23/366798523.db2.gz YBESQHNFYDABAO-HIFRSBDPSA-N 1 0 280.412 2.031 10 0 CEAERO Cc1cccc2c(N(C)Cc3nc[nH]n3)cc[nH+]c12 ZINC000301683717 201134780 /nfs/dbraw/zinc/13/47/80/201134780.db2.gz SUUCGKRVULZXIY-UHFFFAOYSA-N 1 0 253.309 2.298 10 0 CEAERO O=S(=O)(c1ccccc1)c1ccc2c(c1)C[NH2+]CC2 ZINC000013518454 361428831 /nfs/dbraw/zinc/42/88/31/361428831.db2.gz RFUAYXROQMBXQN-UHFFFAOYSA-N 1 0 273.357 2.165 10 0 CEAERO CC(=O)Nc1ccc(OCCC[NH2+]C(C)C)cc1 ZINC000013743803 361440697 /nfs/dbraw/zinc/44/06/97/361440697.db2.gz QOMZIFDZYQMCGN-UHFFFAOYSA-N 1 0 250.342 2.412 10 0 CEAERO C[NH+]1CCN(c2ccc3c(n2)-c2ccccc2C3)CC1 ZINC000013778662 361442774 /nfs/dbraw/zinc/44/27/74/361442774.db2.gz JUPOMVKEXZPGAN-UHFFFAOYSA-N 1 0 265.360 2.405 10 0 CEAERO C[C@H](NC(=O)C[NH+](C)C)c1ccccc1Br ZINC000015258475 361469498 /nfs/dbraw/zinc/46/94/98/361469498.db2.gz YMBCGONMSXDCPC-VIFPVBQESA-N 1 0 285.185 2.188 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cnn2ccccc12 ZINC000184056753 189374809 /nfs/dbraw/zinc/37/48/09/189374809.db2.gz NUUOKEBUNFPLIO-HZPDHXFCSA-N 1 0 284.407 2.393 10 0 CEAERO O=C1N(Cc2ccccc2)CCCC12CC[NH2+]CC2 ZINC000023508987 361600199 /nfs/dbraw/zinc/60/01/99/361600199.db2.gz MTKUONRRUPKTNV-UHFFFAOYSA-N 1 0 258.365 2.179 10 0 CEAERO Cc1c(-c2cc(C[N@@H+]3CCS[C@@H](C)C3)on2)cnn1C ZINC000184513193 189388563 /nfs/dbraw/zinc/38/85/63/189388563.db2.gz SIMDUKNAMPTNBY-JTQLQIEISA-N 1 0 292.408 2.321 10 0 CEAERO CCC(=O)c1cc(OC)c(C[C@@H](C)[NH3+])cc1OC ZINC000025983843 361634019 /nfs/dbraw/zinc/63/40/19/361634019.db2.gz ACCIWGPKICCJMA-SECBINFHSA-N 1 0 251.326 2.186 10 0 CEAERO CC[C@@H]1CCC[C@H](NC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000085069277 363830071 /nfs/dbraw/zinc/83/00/71/363830071.db2.gz OGFPQMBHZFFEEU-RDBSUJKOSA-N 1 0 252.402 2.461 10 0 CEAERO NC(=O)c1c[nH+]ccc1N1CCC(Nc2ccccc2)CC1 ZINC000302209824 201397163 /nfs/dbraw/zinc/39/71/63/201397163.db2.gz GBCWXNQAGUHGNF-UHFFFAOYSA-N 1 0 296.374 2.261 10 0 CEAERO C[NH+](C)CC1(c2ccc(Br)cn2)CC1 ZINC000090502334 364060257 /nfs/dbraw/zinc/06/02/57/364060257.db2.gz PNTNAWVHUKRLEE-UHFFFAOYSA-N 1 0 255.159 2.437 10 0 CEAERO Cn1nccc1C1CC[NH+](Cc2cncs2)CC1 ZINC000092810296 364109441 /nfs/dbraw/zinc/10/94/41/364109441.db2.gz ZZRBTKHJNHZRIK-UHFFFAOYSA-N 1 0 262.382 2.256 10 0 CEAERO c1ccc(NC[C@H]2CC[N@H+](CC3=CCCOC3)C2)nc1 ZINC000092812850 364110129 /nfs/dbraw/zinc/11/01/29/364110129.db2.gz VUKOMKVVAHZBGB-CQSZACIVSA-N 1 0 273.380 2.162 10 0 CEAERO [NH3+][C@H]1CC[C@H](C(=O)NCC2(c3ccc(F)cc3)CC2)C1 ZINC000237892304 370757785 /nfs/dbraw/zinc/75/77/85/370757785.db2.gz DAIOKEJDEAPNPZ-FZMZJTMJSA-N 1 0 276.355 2.101 10 0 CEAERO CCC[C@@H](C(=O)Nc1ccc(C(=O)OC)c(C)c1)[NH+](C)C ZINC000094106448 364253518 /nfs/dbraw/zinc/25/35/18/364253518.db2.gz IEGZYFIQKGABIM-AWEZNQCLSA-N 1 0 292.379 2.450 10 0 CEAERO [NH3+]C1CCC(C(=O)NC[C@@H]2CCCC23CC3)CC1 ZINC000638809806 370766389 /nfs/dbraw/zinc/76/63/89/370766389.db2.gz YXRHDURNTTWFRZ-CPCZMJQVSA-N 1 0 250.386 2.200 10 0 CEAERO CC(C)(O)C[N@@H+]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000356594939 370767866 /nfs/dbraw/zinc/76/78/66/370767866.db2.gz BMSACGIPXPPTPJ-UHFFFAOYSA-N 1 0 276.424 2.354 10 0 CEAERO C[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1Cc1cccc(N)c1 ZINC000094440902 364274071 /nfs/dbraw/zinc/27/40/71/364274071.db2.gz PIYFGHNOJZSHCS-CZUORRHYSA-N 1 0 259.397 2.327 10 0 CEAERO CCOc1nc2ccccc2nc1N(C)C[C@@H]1CCC[NH2+]1 ZINC000095069672 364329843 /nfs/dbraw/zinc/32/98/43/364329843.db2.gz BKRLGFQXDQKVLC-LBPRGKRZSA-N 1 0 286.379 2.217 10 0 CEAERO Cc1cc(OCCC2CC[NH2+]CC2)nc(Cl)n1 ZINC000095068993 364330015 /nfs/dbraw/zinc/33/00/15/364330015.db2.gz DNEVQRINTFUPNL-UHFFFAOYSA-N 1 0 255.749 2.207 10 0 CEAERO C[NH2+][C@@H]1CCCN(c2cccc(Br)n2)C1 ZINC000095071423 364330804 /nfs/dbraw/zinc/33/08/04/364330804.db2.gz CPNGJSRDRONMPF-SECBINFHSA-N 1 0 270.174 2.032 10 0 CEAERO CN(Cc1cnc(Cl)nc1Cl)C[C@H]1CCC[NH2+]C1 ZINC000095071145 364330865 /nfs/dbraw/zinc/33/08/65/364330865.db2.gz MGBGVWDRSCJGQF-VIFPVBQESA-N 1 0 289.210 2.215 10 0 CEAERO [NH3+]C[C@@H]1CCCN(Cc2ccc(Br)nc2)C1 ZINC000095072556 364332393 /nfs/dbraw/zinc/33/23/93/364332393.db2.gz NVZSNVNZKMKMPR-JTQLQIEISA-N 1 0 284.201 2.015 10 0 CEAERO O=[S@](C[C@H]1CCC[NH2+]C1)c1nc2ccccc2s1 ZINC000095073627 364333532 /nfs/dbraw/zinc/33/35/32/364333532.db2.gz YEPBLEOTASASIF-YPMLDQLKSA-N 1 0 280.418 2.404 10 0 CEAERO COc1ccc(C[C@H]2COCC[C@H]2[NH2+]C2CC2)cc1 ZINC000095076264 364333544 /nfs/dbraw/zinc/33/35/44/364333544.db2.gz PAYCPZVADQCWQQ-XJKSGUPXSA-N 1 0 261.365 2.395 10 0 CEAERO COc1c(O)ccc([C@@H](O)C[NH2+]C(C)(C)C)c1Cl ZINC000095080281 364334838 /nfs/dbraw/zinc/33/48/38/364334838.db2.gz GVQGQLZSAFQSJE-JTQLQIEISA-N 1 0 273.760 2.476 10 0 CEAERO C[C@]1(C(=O)Nc2cc(Br)ccc2O)CCC[NH2+]1 ZINC000094573767 364279148 /nfs/dbraw/zinc/27/91/48/364279148.db2.gz MASXBTJFLJJISY-GFCCVEGCSA-N 1 0 299.168 2.235 10 0 CEAERO CCC[C@H](C(=O)N1CCCC[C@@H](SC)C1)[NH+](C)C ZINC000161780924 283762939 /nfs/dbraw/zinc/76/29/39/283762939.db2.gz GUCPIKIDPPCGQV-CHWSQXEVSA-N 1 0 272.458 2.461 10 0 CEAERO C[C@@H](NC(=O)C1(C)C[NH2+]C1)c1ccc(Cl)s1 ZINC000335061527 364417870 /nfs/dbraw/zinc/41/78/70/364417870.db2.gz YDEGNKFSAQUDFU-SSDOTTSWSA-N 1 0 258.774 2.188 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC1CC(c2ccccc2)C1 ZINC000335164375 364563329 /nfs/dbraw/zinc/56/33/29/364563329.db2.gz RFRCMEVFRIKEOE-MFNGEMCRSA-N 1 0 272.392 2.437 10 0 CEAERO CCCCNC(=O)C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000102682220 364606420 /nfs/dbraw/zinc/60/64/20/364606420.db2.gz UBYBNGJWOZQSCO-LBPRGKRZSA-N 1 0 292.379 2.025 10 0 CEAERO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)COC)c1ccccc1 ZINC000103360143 364643908 /nfs/dbraw/zinc/64/39/08/364643908.db2.gz JRCOPWVIQRZVEA-HOCLYGCPSA-N 1 0 292.423 2.468 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)/C=C/c1cncc(F)c1 ZINC000104327534 364693461 /nfs/dbraw/zinc/69/34/61/364693461.db2.gz ZEJPLMMXGGKFGM-LLYBFZRZSA-N 1 0 293.386 2.326 10 0 CEAERO CCOC(=O)c1ccc(N[C@@H](C[NH3+])CC(C)C)nc1 ZINC000111830743 364762726 /nfs/dbraw/zinc/76/27/26/364762726.db2.gz PXYHZDQQNDXKTQ-GFCCVEGCSA-N 1 0 265.357 2.044 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CSc1ccccc1 ZINC000113223744 364876320 /nfs/dbraw/zinc/87/63/20/364876320.db2.gz FZOURKHDMSEUEN-UONOGXRCSA-N 1 0 290.432 2.474 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(N(C)C)cc1 ZINC000113444900 364894535 /nfs/dbraw/zinc/89/45/35/364894535.db2.gz DHOPGGGVETWERB-XJKSGUPXSA-N 1 0 287.407 2.061 10 0 CEAERO CC(C)Oc1ccccc1CC(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000193602846 189646860 /nfs/dbraw/zinc/64/68/60/189646860.db2.gz RVYZJKIUSWXRJE-HIFRSBDPSA-N 1 0 290.407 2.273 10 0 CEAERO Cc1cc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)nc(C2CC2)n1 ZINC000116261989 365045789 /nfs/dbraw/zinc/04/57/89/365045789.db2.gz FOZQGMSKISBTDL-GXTWGEPZSA-N 1 0 272.396 2.335 10 0 CEAERO Cn1cc([C@@H]2CCN(Cc3nc(-c4ccco4)no3)C2)cn1 ZINC000116310467 365049396 /nfs/dbraw/zinc/04/93/96/365049396.db2.gz NMPSIQWTEKBXEZ-LLVKDONJSA-N 1 0 299.334 2.053 10 0 CEAERO COC(=O)c1ccc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)cc1 ZINC000116313571 365049789 /nfs/dbraw/zinc/04/97/89/365049789.db2.gz ZBSBGYQHDSTUSY-OAHLLOKOSA-N 1 0 299.374 2.196 10 0 CEAERO C[NH+](C)C[C@@H]1CN(C(=O)c2cccc3ccccc32)CCO1 ZINC000116790388 365068635 /nfs/dbraw/zinc/06/86/35/365068635.db2.gz MNEMPYCTDQUAGY-OAHLLOKOSA-N 1 0 298.386 2.242 10 0 CEAERO CC(C)CCC[C@@H](C)NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117023674 365088696 /nfs/dbraw/zinc/08/86/96/365088696.db2.gz JUHQSMAZNBDVJU-HUUCEWRRSA-N 1 0 299.459 2.173 10 0 CEAERO CCS[C@@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)C(C)C ZINC000245404273 370814462 /nfs/dbraw/zinc/81/44/62/370814462.db2.gz OREYXSXAWDNIAB-QWHCGFSZSA-N 1 0 270.442 2.071 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC1(O)CCCCC1 ZINC000245414035 370815850 /nfs/dbraw/zinc/81/58/50/370815850.db2.gz BYKIVWFKBPUJKP-GJZGRUSLSA-N 1 0 294.439 2.157 10 0 CEAERO C[N@H+](Cc1cccc(O)c1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000120243250 365394149 /nfs/dbraw/zinc/39/41/49/365394149.db2.gz HVWVNRBIGGBWQF-OAHLLOKOSA-N 1 0 298.390 2.283 10 0 CEAERO CC[C@H]1CN(Cc2ccsc2)CC[N@@H+]1C[C@@H](C)O ZINC000120762197 365471458 /nfs/dbraw/zinc/47/14/58/365471458.db2.gz OKIRQWFBGXVHDC-OCCSQVGLSA-N 1 0 268.426 2.025 10 0 CEAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc(NS(C)(=O)=O)cc1 ZINC000120469935 365429787 /nfs/dbraw/zinc/42/97/87/365429787.db2.gz OCKXPZNSVZKDEA-OUJBWJOFSA-N 1 0 268.382 2.117 10 0 CEAERO CCOCC[N@@H+]1CCN(Cc2ccc(CC)o2)C[C@H]1C ZINC000120881887 365488866 /nfs/dbraw/zinc/48/88/66/365488866.db2.gz UBUDLXHLRKFDNA-CQSZACIVSA-N 1 0 280.412 2.385 10 0 CEAERO CC[C@@](C)(O)C[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000162004746 367129961 /nfs/dbraw/zinc/12/99/61/367129961.db2.gz IZMZEYGLCRHOIA-LLVKDONJSA-N 1 0 279.306 2.032 10 0 CEAERO COC[C@H]([NH3+])c1ccc(OC(F)(F)F)c(F)c1 ZINC000584643897 367174601 /nfs/dbraw/zinc/17/46/01/367174601.db2.gz VUBJKFPOLWXAOL-QMMMGPOBSA-N 1 0 253.195 2.371 10 0 CEAERO C[C@H]1CN(C(=O)c2c(F)cccc2Cl)C[C@@H]1C[NH3+] ZINC000638884353 370818622 /nfs/dbraw/zinc/81/86/22/370818622.db2.gz HEBDCYZHBREJIJ-IUCAKERBSA-N 1 0 270.735 2.146 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CC[C@H]1CCCCO1 ZINC000245430699 370818665 /nfs/dbraw/zinc/81/86/65/370818665.db2.gz MATWUDMSMRSQHL-HUUCEWRRSA-N 1 0 282.428 2.278 10 0 CEAERO C[C@H]1CN(C(=O)c2cc(Cl)ccc2F)C[C@@H]1C[NH3+] ZINC000638885606 370819220 /nfs/dbraw/zinc/81/92/20/370819220.db2.gz CQTGWWJAZGKXIW-IUCAKERBSA-N 1 0 270.735 2.146 10 0 CEAERO C[C@@H]1CN(C(=O)[C@H]2CCCc3ccccc32)C[C@@H]1C[NH3+] ZINC000638886967 370820525 /nfs/dbraw/zinc/82/05/25/370820525.db2.gz BSZMXYIBRZTWEY-INWMFGNUSA-N 1 0 272.392 2.160 10 0 CEAERO CCC[C@@H](C(=O)NCc1nc2cc(F)ccc2[nH]1)[NH+](C)C ZINC000162364653 367154718 /nfs/dbraw/zinc/15/47/18/367154718.db2.gz RATIVJFPLAOBKW-ZDUSSCGKSA-N 1 0 292.358 2.049 10 0 CEAERO C[C@@H]1CN(C(=O)CCOc2ccccc2Cl)C[C@H]1C[NH3+] ZINC000638893168 370825271 /nfs/dbraw/zinc/82/52/71/370825271.db2.gz RFYVCDMSGUDNIL-VXGBXAGGSA-N 1 0 296.798 2.162 10 0 CEAERO Cc1cc(Cl)cc(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000638898772 370829509 /nfs/dbraw/zinc/82/95/09/370829509.db2.gz MZPHXNXUUXKWMV-JQWIXIFHSA-N 1 0 266.772 2.315 10 0 CEAERO Cc1cccc(CCC[N@H+]2CCN(C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000245534333 370833302 /nfs/dbraw/zinc/83/33/02/370833302.db2.gz DUTBXOONUQFSLO-DLBZAZTESA-N 1 0 290.451 2.315 10 0 CEAERO [NH3+]CC1(C(=O)NC2C3CC4CC(C3)CC2C4)CCCC1 ZINC000165546002 367308744 /nfs/dbraw/zinc/30/87/44/367308744.db2.gz FBSKYHSFEAZDLL-UHFFFAOYSA-N 1 0 276.424 2.446 10 0 CEAERO c1ccc2[nH]c(-c3ccc(N4CC[NH2+]CC4)nc3)nc2c1 ZINC000165527030 367308858 /nfs/dbraw/zinc/30/88/58/367308858.db2.gz PZYHCWMZXVNWHV-UHFFFAOYSA-N 1 0 279.347 2.035 10 0 CEAERO C[C@H]([NH3+])C[C@H](C)Nc1ncccc1Br ZINC000165760935 367313979 /nfs/dbraw/zinc/31/39/79/367313979.db2.gz GBYGDSCGIIBBOI-YUMQZZPRSA-N 1 0 258.163 2.382 10 0 CEAERO C[NH+](C)CCOc1ccc2c(c1)CCc1c[nH]nc1-2 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CC[C@H](O)CN1CC[NH+]([C@@H](C)CCc2ccccc2)CC1 ZINC000172355753 367725669 /nfs/dbraw/zinc/72/56/69/367725669.db2.gz JEQDNCKYCWVYGO-WMZOPIPTSA-N 1 0 290.451 2.396 10 0 CEAERO CC[C@H]1CN(Cc2ccc(F)cc2C)CC[N@@H+]1C[C@H](C)O ZINC000245767244 370871044 /nfs/dbraw/zinc/87/10/44/370871044.db2.gz QZMDWDSGGPTNBD-YOEHRIQHSA-N 1 0 294.414 2.411 10 0 CEAERO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000245857899 370879993 /nfs/dbraw/zinc/87/99/93/370879993.db2.gz NYOAIXMZKAQFFL-FMKPAKJESA-N 1 0 290.407 2.191 10 0 CEAERO COCC[N@@H+]1CCN(Cc2ccc(F)cc2C)C[C@@H]1C ZINC000245770433 370871305 /nfs/dbraw/zinc/87/13/05/370871305.db2.gz RPRQTHWBGZKODL-AWEZNQCLSA-N 1 0 280.387 2.287 10 0 CEAERO C/C(=C\c1ccccc1)CN1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000245803342 370875143 /nfs/dbraw/zinc/87/51/43/370875143.db2.gz YEPKEDXJSIUJIN-JBAYFQIUSA-N 1 0 288.435 2.477 10 0 CEAERO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000245956197 370892676 /nfs/dbraw/zinc/89/26/76/370892676.db2.gz 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278.318 2.366 10 0 CEAERO O[C@@H]1CC[C@H]2C[N@H+](Cc3nc4ccccc4[nH]3)C[C@@H]2C1 ZINC000399023319 375356932 /nfs/dbraw/zinc/35/69/32/375356932.db2.gz VSDZDMYIMIRVAV-RWMBFGLXSA-N 1 0 271.364 2.156 10 0 CEAERO Cc1ccc(O)c(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000282130570 375408975 /nfs/dbraw/zinc/40/89/75/375408975.db2.gz GGGJGAOOVLMOCX-CLLJXQQHSA-N 1 0 264.369 2.389 10 0 CEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC000282197851 375426409 /nfs/dbraw/zinc/42/64/09/375426409.db2.gz CKXMBPJPWFIMGA-GLQYFDAESA-N 1 0 258.365 2.321 10 0 CEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000282279938 375446597 /nfs/dbraw/zinc/44/65/97/375446597.db2.gz IBYQTPVDTNQQOD-TVQRCGJNSA-N 1 0 294.782 2.032 10 0 CEAERO CSc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)cc1 ZINC000282299492 375451427 /nfs/dbraw/zinc/45/14/27/375451427.db2.gz JQJDRCPCWQZCOZ-GXFFZTMASA-N 1 0 264.394 2.165 10 0 CEAERO O=C([C@H]1CCC[NH2+]C1)N1CCC[C@H]1c1ccccc1 ZINC000036136459 284556019 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CC(C)COC[C@H](O)CNc1ccc2c(c1)C[N@@H+](C)C2 ZINC000516965596 379330483 /nfs/dbraw/zinc/33/04/83/379330483.db2.gz CSQMZLCLGYTNTE-MRXNPFEDSA-N 1 0 278.396 2.077 10 0 CEAERO CN1CC[C@@H](CNc2cc[nH+]cc2C(N)=O)c2ccccc21 ZINC000302217941 379333194 /nfs/dbraw/zinc/33/31/94/379333194.db2.gz KPKBBDWRAJSKLD-LBPRGKRZSA-N 1 0 296.374 2.216 10 0 CEAERO CC[N@H+](C)CCNc1ccc(OC(F)(F)F)cn1 ZINC000302557887 379395252 /nfs/dbraw/zinc/39/52/52/379395252.db2.gz KHABODYFERZNPF-UHFFFAOYSA-N 1 0 263.263 2.344 10 0 CEAERO C[C@@H]1C[N@H+](C)C[C@@]1(O)c1ccc(Br)cc1 ZINC000521401983 379529964 /nfs/dbraw/zinc/52/99/64/379529964.db2.gz UPXSLLBSSCNPTI-SKDRFNHKSA-N 1 0 270.170 2.218 10 0 CEAERO CSC[C@@H](O)C[N@@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000187860000 183664801 /nfs/dbraw/zinc/66/48/01/183664801.db2.gz BBIZKCIDNMAFDR-NEPJUHHUSA-N 1 0 286.466 2.355 10 0 CEAERO C[C@@H]1COC[C@H](C)N1CC[N@H+](C)Cc1ccc(F)cc1 ZINC000181714890 542274934 /nfs/dbraw/zinc/27/49/34/542274934.db2.gz PVVFLCYGUNVDMA-OKILXGFUSA-N 1 0 280.387 2.367 10 0 CEAERO COCCC[N@H+](C)CCN(C)Cc1ccc(F)cc1 ZINC000181660402 542275193 /nfs/dbraw/zinc/27/51/93/542275193.db2.gz DEZSVVBHBWYEKX-UHFFFAOYSA-N 1 0 268.376 2.226 10 0 CEAERO C[C@@H]([NH2+]CC(=O)N(C)CC1CC1)c1cccs1 ZINC000182544950 542282484 /nfs/dbraw/zinc/28/24/84/542282484.db2.gz MHALCJKHUARUCC-SNVBAGLBSA-N 1 0 252.383 2.267 10 0 CEAERO CC1(C)CN(C(=O)Nc2cccc3c2CCO3)CC[C@H]1[NH3+] ZINC000334845889 207175985 /nfs/dbraw/zinc/17/59/85/207175985.db2.gz AIXBFJUFGFRYIV-CQSZACIVSA-N 1 0 289.379 2.213 10 0 CEAERO C[C@@H]([NH2+]CC(=O)Nc1cc(F)cc(F)c1)[C@H]1CCCO1 ZINC000183106900 542287142 /nfs/dbraw/zinc/28/71/42/542287142.db2.gz HCUHSGUWBRYXHA-NOZJJQNGSA-N 1 0 284.306 2.060 10 0 CEAERO CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000183137563 542287356 /nfs/dbraw/zinc/28/73/56/542287356.db2.gz FIGIYSVRHJTJOA-IHRRRGAJSA-N 1 0 270.417 2.037 10 0 CEAERO COCCC[C@@H](C)[NH2+][C@H]1CCc2nnc(C(C)C)n2C1 ZINC000180520218 284920126 /nfs/dbraw/zinc/92/01/26/284920126.db2.gz IJBFHUAUTVSVNU-OLZOCXBDSA-N 1 0 280.416 2.121 10 0 CEAERO C[C@]1(C(=O)N2CCC(c3nccs3)CC2)CCC[NH2+]C1 ZINC000334943582 207332170 /nfs/dbraw/zinc/33/21/70/207332170.db2.gz UEORZRBSAZIWCV-HNNXBMFYSA-N 1 0 293.436 2.239 10 0 CEAERO CNC(=O)[C@H]([NH2+]Cc1ccccc1OC(F)F)C(C)C ZINC000183647524 542294162 /nfs/dbraw/zinc/29/41/62/542294162.db2.gz KMDZQEPADKOMRC-GFCCVEGCSA-N 1 0 286.322 2.148 10 0 CEAERO c1cn(C[C@@H]2CCC[N@@H+]2Cc2cccc3nccn32)cn1 ZINC000188411922 542321666 /nfs/dbraw/zinc/32/16/66/542321666.db2.gz ICQNWIAJFAMARU-AWEZNQCLSA-N 1 0 281.363 2.195 10 0 CEAERO CCOCC[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000037892896 184543097 /nfs/dbraw/zinc/54/30/97/184543097.db2.gz XUSOYVOYOLKSQQ-GFCCVEGCSA-N 1 0 277.286 2.365 10 0 CEAERO [NH2+]=C(NC1CCCCC1)N1CCN(c2nccs2)CC1 ZINC000052045075 184566810 /nfs/dbraw/zinc/56/68/10/184566810.db2.gz TVCNNOPDEFTJNS-UHFFFAOYSA-N 1 0 293.440 2.122 10 0 CEAERO CN1C(=O)CC[C@H]([NH3+])[C@@H]1c1ccc2ccccc2c1 ZINC000070985432 184574288 /nfs/dbraw/zinc/57/42/88/184574288.db2.gz XARGTDQHFPJQDU-HOCLYGCPSA-N 1 0 254.333 2.460 10 0 CEAERO C[C@H]1CCCN1c1nc2c(cc1C(N)=[NH2+])CCCC2 ZINC000043410432 184559211 /nfs/dbraw/zinc/55/92/11/184559211.db2.gz GTJWWOXQHZNXIF-JTQLQIEISA-N 1 0 258.369 2.233 10 0 CEAERO C[C@@H](Sc1ccc([C@H](C)[NH3+])cc1)C(=O)N(C)C ZINC000079576899 184594165 /nfs/dbraw/zinc/59/41/65/184594165.db2.gz LUGGDRRMQBTUGQ-VHSXEESVSA-N 1 0 252.383 2.275 10 0 CEAERO C[NH2+][C@H](C)c1ccc(S[C@H]2CCN(C)C2=O)cc1 ZINC000079580217 184594306 /nfs/dbraw/zinc/59/43/06/184594306.db2.gz DSVCHMOKHUPAFZ-MFKMUULPSA-N 1 0 264.394 2.290 10 0 CEAERO CCC[C@H]1CC[C@H]([NH2+]CC)[C@H](Sc2nnnn2C)C1 ZINC000081845716 184596918 /nfs/dbraw/zinc/59/69/18/184596918.db2.gz BKGNTDFSRJXJPZ-SDDRHHMPSA-N 1 0 283.445 2.249 10 0 CEAERO CC[C@H]([NH3+])CNc1ncc(Br)cc1C ZINC000086708555 184609914 /nfs/dbraw/zinc/60/99/14/184609914.db2.gz SRYKLTPLAYBPRR-VIFPVBQESA-N 1 0 258.163 2.302 10 0 CEAERO C[C@@H]1CC[C@@](C[NH3+])(OCC(=O)Nc2ccc(F)cc2)C1 ZINC000086724202 184610672 /nfs/dbraw/zinc/61/06/72/184610672.db2.gz CZWKVLILKLNMEC-IAQYHMDHSA-N 1 0 280.343 2.298 10 0 CEAERO CCn1cc(COC2(C[NH3+])CCC(C)CC2)cn1 ZINC000086711601 184610724 /nfs/dbraw/zinc/61/07/24/184610724.db2.gz NXJFXCZYOPZJBO-UHFFFAOYSA-N 1 0 251.374 2.327 10 0 CEAERO C[NH2+]CCc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 ZINC000088906975 184613587 /nfs/dbraw/zinc/61/35/87/184613587.db2.gz OWPCQCPTQRFKII-ZDUSSCGKSA-N 1 0 296.436 2.012 10 0 CEAERO C[NH2+]Cc1cccc(S(=O)(=O)N(C)[C@H](C)C2CC2)c1C ZINC000088962768 184615823 /nfs/dbraw/zinc/61/58/23/184615823.db2.gz IUCDRLHLYTUULG-GFCCVEGCSA-N 1 0 296.436 2.133 10 0 CEAERO C[NH2+]Cc1ccc(C)c(S(=O)(=O)N(C)[C@@H](C)C(C)C)c1 ZINC000088963524 184615889 /nfs/dbraw/zinc/61/58/89/184615889.db2.gz PFBBJYJDKYAQGE-ZDUSSCGKSA-N 1 0 298.452 2.379 10 0 CEAERO Cc1ccc(C)c(CC(=O)NC[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000089166652 184615982 /nfs/dbraw/zinc/61/59/82/184615982.db2.gz HIGHRSRPVKXCMJ-HIFRSBDPSA-N 1 0 260.381 2.090 10 0 CEAERO COCC[NH2+]C[C@H]1CCO[C@H]1c1cc(F)c(F)c(F)c1 ZINC000092882345 184633833 /nfs/dbraw/zinc/63/38/33/184633833.db2.gz GGYMBQPSNFBMLM-YMTOWFKASA-N 1 0 289.297 2.418 10 0 CEAERO CCc1ccc([C@H](C)NC(=O)[C@@H]2CC[NH2+][C@@H]2C)cc1 ZINC000092951948 184637007 /nfs/dbraw/zinc/63/70/07/184637007.db2.gz ZEJFDUNMTNJNFY-YWPYICTPSA-N 1 0 260.381 2.424 10 0 CEAERO COCCOCCC1(c2ccccc2Cl)C[NH2+]C1 ZINC000093196830 184654723 /nfs/dbraw/zinc/65/47/23/184654723.db2.gz AUEPYZSPSJUHJQ-UHFFFAOYSA-N 1 0 269.772 2.234 10 0 CEAERO CC(C)Cn1ncnc1CC1(c2ccc(F)cc2)C[NH2+]C1 ZINC000093196477 184654784 /nfs/dbraw/zinc/65/47/84/184654784.db2.gz DXHCYTDXUYWVPW-UHFFFAOYSA-N 1 0 288.370 2.157 10 0 CEAERO CC[NH2+]C[C@H](Cc1ncnn1CC)c1ccccc1F ZINC000093177725 184653564 /nfs/dbraw/zinc/65/35/64/184653564.db2.gz RLADRWCPQINABT-LBPRGKRZSA-N 1 0 276.359 2.373 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N(C)[C@@H](C)Cc1cccs1 ZINC000093272171 184660306 /nfs/dbraw/zinc/66/03/06/184660306.db2.gz VMVUWMCCLILHNY-NEPJUHHUSA-N 1 0 268.426 2.383 10 0 CEAERO CCC[NH2+][C@@H](CCC[C@H]1CCCO1)C(OC)OC ZINC000093305699 184662380 /nfs/dbraw/zinc/66/23/80/184662380.db2.gz JSGZKYSLHLWPIT-STQMWFEESA-N 1 0 259.390 2.323 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1cc(F)c(F)c(F)c1F ZINC000335239524 208003107 /nfs/dbraw/zinc/00/31/07/208003107.db2.gz LQSXTAIDYURALG-RCOVLWMOSA-N 1 0 290.260 2.100 10 0 CEAERO C[C@@](O)(C[N@@H+]1CCO[C@@H](C2CC2)C1)c1ccccc1 ZINC000368796969 220289444 /nfs/dbraw/zinc/28/94/44/220289444.db2.gz ACPFYQVSUMBACM-HZPDHXFCSA-N 1 0 261.365 2.005 10 0 CEAERO [NH2+]=C1NC[C@H](c2cccnc2)N1c1ccc(F)cc1 ZINC000093379360 184669197 /nfs/dbraw/zinc/66/91/97/184669197.db2.gz VGUHVINARZDNMT-CYBMUJFWSA-N 1 0 256.284 2.097 10 0 CEAERO C[C@@]1(c2ccc(O)cc2)CNC(=[NH2+])N1Cc1cccs1 ZINC000093393244 184670627 /nfs/dbraw/zinc/67/06/27/184670627.db2.gz NXWDFXMNOKQFPE-HNNXBMFYSA-N 1 0 287.388 2.499 10 0 CEAERO [NH2+]=C1NC[C@@]2(CCOc3ccccc32)N1C1CCCC1 ZINC000093391370 184670780 /nfs/dbraw/zinc/67/07/80/184670780.db2.gz MVIAADNLXVRIPR-MRXNPFEDSA-N 1 0 271.364 2.237 10 0 CEAERO C[C@]1(c2ccc3c(c2)OCO3)CNC(=[NH2+])N1C1CCCC1 ZINC000093391576 184670814 /nfs/dbraw/zinc/67/08/14/184670814.db2.gz SHCCKQAUHSAQML-MRXNPFEDSA-N 1 0 287.363 2.203 10 0 CEAERO CCOc1ccc2nc([C@@H]([NH3+])[C@H](C)O)sc2c1 ZINC000093421331 184673311 /nfs/dbraw/zinc/67/33/11/184673311.db2.gz YTVMGHQBNGIDRC-CPCISQLKSA-N 1 0 252.339 2.076 10 0 CEAERO CC[C@H]([NH2+]C)[C@@H](C)S(=O)(=O)c1ccc(F)cc1F ZINC000081932376 177901015 /nfs/dbraw/zinc/90/10/15/177901015.db2.gz LRGKLZQWTUVMMB-KCJUWKMLSA-N 1 0 277.336 2.125 10 0 CEAERO CC[NH2+][C@H](C)CCS(=O)(=O)c1ccc(C)cc1 ZINC000081920910 177895254 /nfs/dbraw/zinc/89/52/54/177895254.db2.gz QSQMOFALXXZICA-GFCCVEGCSA-N 1 0 255.383 2.157 10 0 CEAERO O=S(=O)(CCC[NH2+]C1CC1)c1ccc(Cl)cc1 ZINC000081920247 177894348 /nfs/dbraw/zinc/89/43/48/177894348.db2.gz CKHCBVIKHKMXLJ-UHFFFAOYSA-N 1 0 273.785 2.256 10 0 CEAERO COc1ccc([C@H]([NH3+])[C@@H](C)Sc2nnc(C)n2C)cc1 ZINC000081886517 177877491 /nfs/dbraw/zinc/87/74/91/177877491.db2.gz JZKZFVWCGRMBAW-NOZJJQNGSA-N 1 0 292.408 2.313 10 0 CEAERO CCC[NH2+][C@@H](CCC)CSc1n[nH]c(=O)n1CCC ZINC000081879264 177872662 /nfs/dbraw/zinc/87/26/62/177872662.db2.gz LJYMSBMXAUZSIB-NSHDSACASA-N 1 0 286.445 2.242 10 0 CEAERO C[C@@H](CS(C)(=O)=O)[NH2+]CCC1CCC(C)CC1 ZINC000081901282 177884767 /nfs/dbraw/zinc/88/47/67/177884767.db2.gz DXSFVYXXIRTBLK-CPCZMJQVSA-N 1 0 261.431 2.226 10 0 CEAERO CC[C@H](SCC(=O)OC)[C@H]([NH3+])c1ccccc1 ZINC000081794105 177861369 /nfs/dbraw/zinc/86/13/69/177861369.db2.gz DGJOGOCCDVMUSS-WCQYABFASA-N 1 0 253.367 2.371 10 0 CEAERO CCC[NH2+][C@@H](C)CSc1nnc(N(C)C)s1 ZINC000081769412 177856506 /nfs/dbraw/zinc/85/65/06/177856506.db2.gz SGJDBMRBFDWADF-QMMMGPOBSA-N 1 0 260.432 2.084 10 0 CEAERO CCC[C@@H]1CC[C@@H]([NH3+])[C@H](SCCS(C)(=O)=O)C1 ZINC000081769037 177856013 /nfs/dbraw/zinc/85/60/13/177856013.db2.gz YCEFVDHRVWLDDM-IJLUTSLNSA-N 1 0 279.471 2.060 10 0 CEAERO CC(C)[C@H](NC(=O)CC1C[NH2+]C1)c1ccc(F)cc1 ZINC000081747665 177852881 /nfs/dbraw/zinc/85/28/81/177852881.db2.gz HYXVLZDMJVGIIM-HNNXBMFYSA-N 1 0 264.344 2.249 10 0 CEAERO CCOC(=O)CCC[NH2+][C@@H](C)c1scnc1C ZINC000081545777 177815199 /nfs/dbraw/zinc/81/51/99/177815199.db2.gz MHKOPRSEAUVPSF-VIFPVBQESA-N 1 0 256.371 2.445 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]CC2CCC2)C12CCOCC2 ZINC000186282202 270249383 /nfs/dbraw/zinc/24/93/83/270249383.db2.gz SXWYFIXHVPDRLA-ZIAGYGMSSA-N 1 0 253.386 2.350 10 0 CEAERO CN(C)C(=O)c1cc(OCC2([NH3+])CCCCCC2)ccn1 ZINC000080901979 177725667 /nfs/dbraw/zinc/72/56/67/177725667.db2.gz YBXJUNUIRHNGEG-UHFFFAOYSA-N 1 0 291.395 2.214 10 0 CEAERO CC(C)[NH+](CCCNC(=O)N[C@H]1C[C@H]1C)C(C)C ZINC000080729863 177696200 /nfs/dbraw/zinc/69/62/00/177696200.db2.gz QQGPPSSUTGALCK-OLZOCXBDSA-N 1 0 255.406 2.203 10 0 CEAERO CC(=O)Nc1cccc(NC[C@@H]2C[N@H+](C(C)C)CCO2)c1 ZINC000080745673 177700351 /nfs/dbraw/zinc/70/03/51/177700351.db2.gz ZTVBCIMDQOCRMB-MRXNPFEDSA-N 1 0 291.395 2.166 10 0 CEAERO [NH3+]CCc1c(N(CC2CC2)C2CC2)nc2sccn12 ZINC000080395354 177650387 /nfs/dbraw/zinc/65/03/87/177650387.db2.gz VYNAKHMENQFZGY-UHFFFAOYSA-N 1 0 276.409 2.276 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N[C@@H](C)c1nc(C)cs1 ZINC000080273326 177635330 /nfs/dbraw/zinc/63/53/30/177635330.db2.gz MQKATMQMZHTXRE-SCZZXKLOSA-N 1 0 255.387 2.017 10 0 CEAERO C[NH2+][C@@H]1CCCN([C@@H](C)Cc2ccc(C)s2)C1=O ZINC000080253616 177631984 /nfs/dbraw/zinc/63/19/84/177631984.db2.gz LMXZXJYXGYHBEJ-GXFFZTMASA-N 1 0 266.410 2.198 10 0 CEAERO CCC[NH2+][C@]1(CO)CCC[C@H]1CCOC1CCC1 ZINC000093619291 184696747 /nfs/dbraw/zinc/69/67/47/184696747.db2.gz LUEJTLGUDDVZOJ-ZFWWWQNUSA-N 1 0 255.402 2.476 10 0 CEAERO CCC[NH2+][C@]1(CO)CCC[C@@H]1CCn1cc(Cl)cn1 ZINC000093618829 184696760 /nfs/dbraw/zinc/69/67/60/184696760.db2.gz UDEWGDNZOZINFE-OCCSQVGLSA-N 1 0 285.819 2.457 10 0 CEAERO C[NH2+][C@@]1(C(N)=O)CCC[C@H]1CCOc1cc(C)ccc1C ZINC000093624813 184698373 /nfs/dbraw/zinc/69/83/73/184698373.db2.gz NIQZCFMKBKYDFC-YOEHRIQHSA-N 1 0 290.407 2.316 10 0 CEAERO [NH3+]C[C@]1(O)CCC[C@H]1CCn1cc(-c2ccccc2)cn1 ZINC000093627307 184698711 /nfs/dbraw/zinc/69/87/11/184698711.db2.gz WWEOUFIQBQCJSK-DLBZAZTESA-N 1 0 285.391 2.430 10 0 CEAERO Cc1c(CN2C[C@@H](CC[NH3+])c3ccccc32)cnn1C ZINC000093651350 184702822 /nfs/dbraw/zinc/70/28/22/184702822.db2.gz BKNUOPFXTMIQNQ-CYBMUJFWSA-N 1 0 270.380 2.181 10 0 CEAERO CCC[NH2+][C@@H](Cc1c(Cl)c(C)nn1C)[C@H](C)OC ZINC000093691449 184707111 /nfs/dbraw/zinc/70/71/11/184707111.db2.gz LPWHGGAWDPBJGR-QWRGUYRKSA-N 1 0 273.808 2.328 10 0 CEAERO CCC[NH2+][C@H](C[C@H]1CCCN(S(C)(=O)=O)C1)C(C)C ZINC000093699966 184708154 /nfs/dbraw/zinc/70/81/54/184708154.db2.gz AUVVDDVHRWMIHG-ZIAGYGMSSA-N 1 0 290.473 2.072 10 0 CEAERO COC(=O)C(C)(C)COc1ccc(Cl)cc1CC[NH3+] ZINC000093718876 184709545 /nfs/dbraw/zinc/70/95/45/184709545.db2.gz ACFAANQNKYCIET-UHFFFAOYSA-N 1 0 285.771 2.419 10 0 CEAERO COc1ccccc1S[C@H]1CCC[C@]([NH3+])(CO)C1 ZINC000093786986 184722118 /nfs/dbraw/zinc/72/21/18/184722118.db2.gz FQXXEXCLXQDENN-SMDDNHRTSA-N 1 0 267.394 2.420 10 0 CEAERO CCN(CC1CC[NH2+]CC1)C(=O)c1ccoc1C ZINC000094022386 184750241 /nfs/dbraw/zinc/75/02/41/184750241.db2.gz PHMPLPGYCAWLAI-UHFFFAOYSA-N 1 0 250.342 2.050 10 0 CEAERO CCn1ccnc1C[C@@H]([NH2+]C)C1Cc2ccccc2C1 ZINC000094162173 184758115 /nfs/dbraw/zinc/75/81/15/184758115.db2.gz YZKXXBKVADZRPB-MRXNPFEDSA-N 1 0 269.392 2.449 10 0 CEAERO CCOC[C@H](Cc1nc2ccccc2n1CC)[NH2+]C ZINC000094171787 184759288 /nfs/dbraw/zinc/75/92/88/184759288.db2.gz UOSATOHTZBXQPM-LBPRGKRZSA-N 1 0 261.369 2.223 10 0 CEAERO Cc1ccccc1CCNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000094183563 184760369 /nfs/dbraw/zinc/76/03/69/184760369.db2.gz GPHSQSYTDJSTTN-LSDHHAIUSA-N 1 0 260.381 2.029 10 0 CEAERO CCCCN(CC(F)(F)F)C(=O)[C@](C)([NH3+])CC ZINC000094235030 184767306 /nfs/dbraw/zinc/76/73/06/184767306.db2.gz MGGXKMODSLNVOS-SNVBAGLBSA-N 1 0 254.296 2.305 10 0 CEAERO CCC([NH3+])(CC)C(=O)N1CCC[C@H]1c1cc(C)no1 ZINC000094244774 184769096 /nfs/dbraw/zinc/76/90/96/184769096.db2.gz UCLDJSDQTSMYGA-NSHDSACASA-N 1 0 265.357 2.164 10 0 CEAERO COC[C@H]1CC[N@H+](C[C@@H]2CCCC(C)(C)C2=O)C1 ZINC000094285868 184776149 /nfs/dbraw/zinc/77/61/49/184776149.db2.gz FZXHVQJYDUHMCB-STQMWFEESA-N 1 0 253.386 2.350 10 0 CEAERO C[C@@H](NC(=O)CC1([NH3+])CCC1)c1cccc(F)c1 ZINC000094295036 184777882 /nfs/dbraw/zinc/77/78/82/184777882.db2.gz ROFIDTRRWMOXKV-SNVBAGLBSA-N 1 0 250.317 2.274 10 0 CEAERO CCC[NH2+][C@@H]1[C@@H](Sc2nc[nH]n2)CCC1(C)C ZINC000094312754 184778319 /nfs/dbraw/zinc/77/83/19/184778319.db2.gz GLIYQQPCRZBWOY-VHSXEESVSA-N 1 0 254.403 2.454 10 0 CEAERO OCC1([NH2+][C@H]2CCO[C@]3(CCSC3)C2)CCCCC1 ZINC000094371977 184790695 /nfs/dbraw/zinc/79/06/95/184790695.db2.gz KOYDKOVAWDTWRT-DZGCQCFKSA-N 1 0 285.453 2.326 10 0 CEAERO [NH3+]C1CCC(O[C@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000094381072 184791706 /nfs/dbraw/zinc/79/17/06/184791706.db2.gz UNIATLAPRHJKBT-HOAMVYINSA-N 1 0 271.426 2.328 10 0 CEAERO C[NH2+]CC1CC(O[C@@H]2CCOC3(CCSCC3)C2)C1 ZINC000094381321 184791793 /nfs/dbraw/zinc/79/17/93/184791793.db2.gz PWVCXYHYXJIQMW-ROKHWSDSSA-N 1 0 285.453 2.446 10 0 CEAERO CC[NH+](CC)CCC(=O)[C@@H]1CCOC2(CCOCC2)C1 ZINC000094394235 184792766 /nfs/dbraw/zinc/79/27/66/184792766.db2.gz GGMWIZJENMJLSE-CQSZACIVSA-N 1 0 283.412 2.263 10 0 CEAERO Cn1cc([C@H]([NH3+])[C@@H]2CCOC3(CCSCC3)C2)cn1 ZINC000094404807 184793144 /nfs/dbraw/zinc/79/31/44/184793144.db2.gz CYJCGOQGLBNRIF-DGCLKSJQSA-N 1 0 281.425 2.112 10 0 CEAERO [NH3+][C@H](c1ccncc1)[C@@H]1CCOC2(CCOCC2)C1 ZINC000094397994 184793180 /nfs/dbraw/zinc/79/31/80/184793180.db2.gz NCADOPZSUKZZTL-ZIAGYGMSSA-N 1 0 262.353 2.057 10 0 CEAERO CC(C)([C@@H](O)[C@@H]1CCOC2(CCCC2)C1)[NH+]1CCOCC1 ZINC000094396763 184793257 /nfs/dbraw/zinc/79/32/57/184793257.db2.gz KMGFQOWUPCRGQV-CABCVRRESA-N 1 0 297.439 2.198 10 0 CEAERO Cc1nn([C@H]2CCO[C@@]3(CCSC3)C2)c(C)c1C[NH3+] ZINC000094412305 184794392 /nfs/dbraw/zinc/79/43/92/184794392.db2.gz CUKZZKWRGODCJB-JSGCOSHPSA-N 1 0 281.425 2.186 10 0 CEAERO COCC[NH2+]CCC[C@H]1CCO[C@]2(CCSC2)C1 ZINC000094415385 184794898 /nfs/dbraw/zinc/79/48/98/184794898.db2.gz GGVNSTPXUXGILY-UONOGXRCSA-N 1 0 273.442 2.305 10 0 CEAERO CC(C)[NH2+]C[C@](C)(O)[C@H]1CCOC2(CCCC2)C1 ZINC000094418864 184795042 /nfs/dbraw/zinc/79/50/42/184795042.db2.gz BNCCLAZTZACPCB-KBPBESRZSA-N 1 0 255.402 2.475 10 0 CEAERO Cc1cc(F)c([C@H](C)[NH2+]CCCS(C)(=O)=O)cc1F ZINC000094736784 184849589 /nfs/dbraw/zinc/84/95/89/184849589.db2.gz KPFMNIDAKPHSLY-JTQLQIEISA-N 1 0 291.363 2.359 10 0 CEAERO CCN(CC(F)(F)F)C(=O)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000094752999 184853174 /nfs/dbraw/zinc/85/31/74/184853174.db2.gz IMZWOKGYMFTHAF-UWVGGRQHSA-N 1 0 266.307 2.305 10 0 CEAERO [NH3+][C@H]1CCCCC[C@H]1C(=O)NCCCOCc1ccco1 ZINC000094752522 184853284 /nfs/dbraw/zinc/85/32/84/184853284.db2.gz XPNCXNZMCKIPLA-CABCVRRESA-N 1 0 294.395 2.210 10 0 CEAERO COCCCOCc1ccc(C[NH2+]CC(C)C)cn1 ZINC000094759309 184855576 /nfs/dbraw/zinc/85/55/76/184855576.db2.gz UOMJSZRZESIZGM-UHFFFAOYSA-N 1 0 266.385 2.380 10 0 CEAERO CC[NH2+][C@@H](Cc1nc([C@@]2(C)CCCO2)no1)C1CC1 ZINC000094786114 184863643 /nfs/dbraw/zinc/86/36/43/184863643.db2.gz OFBKYHFVFODCPQ-SMDDNHRTSA-N 1 0 265.357 2.026 10 0 CEAERO CC[C@@H]1CC(=O)N(CCCOc2cccc(C[NH3+])c2)C1 ZINC000094793287 184865752 /nfs/dbraw/zinc/86/57/52/184865752.db2.gz VTIIMOZCJMQUFW-CYBMUJFWSA-N 1 0 276.380 2.173 10 0 CEAERO COc1ccc(N[C@@]2(C[NH3+])CS[C@H](C)C2)cc1 ZINC000094473795 184807134 /nfs/dbraw/zinc/80/71/34/184807134.db2.gz IDXUEMGZJHSQTL-MFKMUULPSA-N 1 0 252.383 2.330 10 0 CEAERO C[C@H]1C[C@@](C[NH3+])(N(C)Cc2ccccc2F)CS1 ZINC000094473367 184807545 /nfs/dbraw/zinc/80/75/45/184807545.db2.gz ONYZIHUKCXKAHA-FZMZJTMJSA-N 1 0 268.401 2.480 10 0 CEAERO CCc1ccc(C(=O)N2C[C@@H](C)C[C@H]([NH3+])C2)s1 ZINC000094549011 184816103 /nfs/dbraw/zinc/81/61/03/184816103.db2.gz XJHNNLPYTCXORF-UWVGGRQHSA-N 1 0 252.383 2.120 10 0 CEAERO CC(C)c1ccccc1NC(=O)[C@H]1CC[C@H](C[NH3+])O1 ZINC000094563147 184818655 /nfs/dbraw/zinc/81/86/55/184818655.db2.gz MVCYQDIXQLRDFP-BXUZGUMPSA-N 1 0 262.353 2.255 10 0 CEAERO CCc1ccc(O)c(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000094575263 184821079 /nfs/dbraw/zinc/82/10/79/184821079.db2.gz FWNKYAXLSUNXAV-NEPJUHHUSA-N 1 0 262.353 2.268 10 0 CEAERO Cc1ccn2nc(N3CCCC[C@H]3[C@@H]3CCC[NH2+]3)nc2c1 ZINC000094607965 184825486 /nfs/dbraw/zinc/82/54/86/184825486.db2.gz CXUCJBXTJYXBAW-KBPBESRZSA-N 1 0 285.395 2.149 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)CCSc1ccncc1 ZINC000094616498 184827083 /nfs/dbraw/zinc/82/70/83/184827083.db2.gz WCFMSTLVVPVUHI-CYBMUJFWSA-N 1 0 254.399 2.313 10 0 CEAERO COc1ccc(C[C@@H]([NH3+])c2ccc(OC)c(F)c2)cn1 ZINC000094632340 184829390 /nfs/dbraw/zinc/82/93/90/184829390.db2.gz SNXUWJBMCONCKH-CYBMUJFWSA-N 1 0 276.311 2.480 10 0 CEAERO C[NH2+][C@H](c1cc(OC)cc(OC)c1)[C@@H]1CCCOC1 ZINC000094651336 184834351 /nfs/dbraw/zinc/83/43/51/184834351.db2.gz HCNPFGYPMUFOCL-ABAIWWIYSA-N 1 0 265.353 2.391 10 0 CEAERO CCN(C(=O)c1cccnc1C)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000094649289 184834813 /nfs/dbraw/zinc/83/48/13/184834813.db2.gz ABSCWFPXAAKIEL-DZGCQCFKSA-N 1 0 275.396 2.370 10 0 CEAERO Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)[NH2+][C@@H]2C)cc1F ZINC000094665304 184837226 /nfs/dbraw/zinc/83/72/26/184837226.db2.gz GUJYVMKOHOVPGE-JTNHKYCSSA-N 1 0 264.344 2.393 10 0 CEAERO CC1(C)CCC[C@](C[NH3+])(Cc2ccc(O)cc2)[C@H]1O ZINC000094691261 184840786 /nfs/dbraw/zinc/84/07/86/184840786.db2.gz PGSMXLYMMKFIDX-GOEBONIOSA-N 1 0 263.381 2.451 10 0 CEAERO C[C@@H]1CCC[NH2+][C@@H]1CNC(=O)Cc1cccc(F)c1F ZINC000094712177 184845588 /nfs/dbraw/zinc/84/55/88/184845588.db2.gz AOAWZXMMXLMLAB-ZWNOBZJWSA-N 1 0 282.334 2.012 10 0 CEAERO [NH3+][C@@H](Cc1cccc(F)c1F)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000094712199 184845599 /nfs/dbraw/zinc/84/55/99/184845599.db2.gz DEXZBEWSOSZQBO-NSHDSACASA-N 1 0 289.285 2.377 10 0 CEAERO Cc1csc(Cn2nc(C)c(C[C@H](C)[NH3+])c2C)n1 ZINC000094978116 184909454 /nfs/dbraw/zinc/90/94/54/184909454.db2.gz CPMSCYCBZAZUIE-QMMMGPOBSA-N 1 0 264.398 2.203 10 0 CEAERO Cc1csc(CN2CC(C)(C)[NH2+]C[C@H]2C2CC2)n1 ZINC000094979651 184910469 /nfs/dbraw/zinc/91/04/69/184910469.db2.gz YQHOMMPZLYZPAW-LBPRGKRZSA-N 1 0 265.426 2.414 10 0 CEAERO C[C@@H]([NH3+])c1ccnc(Sc2nnc3ccccn32)c1 ZINC000095002653 184913520 /nfs/dbraw/zinc/91/35/20/184913520.db2.gz JOVRGQXWUWQDEC-SECBINFHSA-N 1 0 271.349 2.295 10 0 CEAERO CC[C@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1cccnc1OC ZINC000095011610 184915459 /nfs/dbraw/zinc/91/54/59/184915459.db2.gz MTOORQWECKYQDP-RDJZCZTQSA-N 1 0 289.423 2.443 10 0 CEAERO COC(=O)[C@@H]1CC[N@H+](C[C@@H]2Cc3ccccc3S2)C1 ZINC000095020454 184917382 /nfs/dbraw/zinc/91/73/82/184917382.db2.gz GFCHRQVFIOXAIW-OLZOCXBDSA-N 1 0 277.389 2.198 10 0 CEAERO [NH3+][C@H]1CCCCC[C@H]1NC(=O)Cc1ccc(F)c(F)c1 ZINC000095045944 184923181 /nfs/dbraw/zinc/92/31/81/184923181.db2.gz ZCSJROJNGQMAEI-UONOGXRCSA-N 1 0 282.334 2.284 10 0 CEAERO CCOc1nc2ccccc2nc1OC[C@@H]1CC[NH2+]C1 ZINC000095069734 184931480 /nfs/dbraw/zinc/93/14/80/184931480.db2.gz JUPZADZYHDMQCT-LLVKDONJSA-N 1 0 273.336 2.017 10 0 CEAERO C[NH2+][C@H]1CCCN(Cc2ccnc(Br)c2)C1 ZINC000095071504 184932604 /nfs/dbraw/zinc/93/26/04/184932604.db2.gz CVODFKWKJZKAIR-NSHDSACASA-N 1 0 284.201 2.028 10 0 CEAERO Nc1nc2ccccc2nc1OCC[C@H]1CCCC[NH2+]1 ZINC000095072194 184933895 /nfs/dbraw/zinc/93/38/95/184933895.db2.gz SCMGCGVGTCRLQY-LLVKDONJSA-N 1 0 272.352 2.123 10 0 CEAERO O=[S@](CC1CC[NH2+]CC1)c1nc2ccccc2s1 ZINC000095073725 184934710 /nfs/dbraw/zinc/93/47/10/184934710.db2.gz XTQTZPOHSPCKOH-SFHVURJKSA-N 1 0 280.418 2.404 10 0 CEAERO c1nc2c(c(NCC[C@@H]3CCC[NH2+]C3)n1)CCCC2 ZINC000094872502 184885578 /nfs/dbraw/zinc/88/55/78/184885578.db2.gz PXYRPKRKDUEFBL-LBPRGKRZSA-N 1 0 260.385 2.157 10 0 CEAERO Cc1cscc1CNC(=O)CCC[NH2+]C(C)C ZINC000094877493 184886137 /nfs/dbraw/zinc/88/61/37/184886137.db2.gz DHUUJWDODHECNO-UHFFFAOYSA-N 1 0 254.399 2.451 10 0 CEAERO CCCN(c1ncnc2c1CCCCC2)[C@@H]1CC[NH2+]C1 ZINC000094888135 184888313 /nfs/dbraw/zinc/88/83/13/184888313.db2.gz YDXLJPRWUWADAL-CYBMUJFWSA-N 1 0 274.412 2.324 10 0 CEAERO CCC[C@@]1(C(=O)N(CC)Cc2ccccn2)CC[NH2+]C1 ZINC000094914914 184892356 /nfs/dbraw/zinc/89/23/56/184892356.db2.gz OEWZISRDFQMFKA-MRXNPFEDSA-N 1 0 275.396 2.210 10 0 CEAERO Cc1ccc(C(=O)N(C)CC2CC[NH2+]CC2)c(F)c1 ZINC000094919357 184892551 /nfs/dbraw/zinc/89/25/51/184892551.db2.gz WZYIWWATIURBAT-UHFFFAOYSA-N 1 0 264.344 2.206 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCC[C@@H]2[NH3+])cc1F ZINC000094956500 184903761 /nfs/dbraw/zinc/90/37/61/184903761.db2.gz ODVJTMRGJNSBAC-SUHUHFCYSA-N 1 0 264.344 2.439 10 0 CEAERO CC[C@H](CC[NH3+])CNC(=O)c1cc(F)cc(F)c1 ZINC000094961801 184906130 /nfs/dbraw/zinc/90/61/30/184906130.db2.gz ITZKFMIPNFHTMJ-SECBINFHSA-N 1 0 256.296 2.070 10 0 CEAERO CC[C@H](CC[NH3+])CNC(=O)Nc1ccccc1F ZINC000094962231 184906585 /nfs/dbraw/zinc/90/65/85/184906585.db2.gz LFVSSVCUFQROSX-SNVBAGLBSA-N 1 0 253.321 2.322 10 0 CEAERO CCC(=O)CC[NH+]1CCC(c2cnn(CC)c2)CC1 ZINC000190206777 130073474 /nfs/dbraw/zinc/07/34/74/130073474.db2.gz FHFGLIMDOIJPKU-UHFFFAOYSA-N 1 0 263.385 2.452 10 0 CEAERO Cc1ccccc1[C@H]1C[C@H]1C(=O)N1CCC(C[NH3+])CC1 ZINC000237681790 131052484 /nfs/dbraw/zinc/05/24/84/131052484.db2.gz JJICFKWYAQLJDM-HZPDHXFCSA-N 1 0 272.392 2.296 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@@H](C)[C@H](OC)c1ccc(F)cc1 ZINC000262592808 131238156 /nfs/dbraw/zinc/23/81/56/131238156.db2.gz VIHNFRRRZXWNLJ-BPNCWPANSA-N 1 0 282.359 2.145 10 0 CEAERO C[C@H](C[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1)N1CCOCC1 ZINC000263165659 131285150 /nfs/dbraw/zinc/28/51/50/131285150.db2.gz PXQXMWZMNJMUQM-UMVBOHGHSA-N 1 0 278.396 2.213 10 0 CEAERO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000087955053 285555104 /nfs/dbraw/zinc/55/51/04/285555104.db2.gz CUDZOFIZBJJJNX-RYUDHWBXSA-N 1 0 291.395 2.134 10 0 CEAERO C[C@H]1CC[C@H]([NH2+][C@@H]2CCCN(c3ncccn3)C2)C1 ZINC000080454185 134494710 /nfs/dbraw/zinc/49/47/10/134494710.db2.gz XLZUFLVUMMCQGX-MELADBBJSA-N 1 0 260.385 2.224 10 0 CEAERO C[NH2+]C[C@@H]1CCCCN1c1nccc(C(F)(F)F)n1 ZINC000081586985 134499590 /nfs/dbraw/zinc/49/95/90/134499590.db2.gz JGHKDGVFYNAMBZ-VIFPVBQESA-N 1 0 274.290 2.074 10 0 CEAERO C[NH2+]C[C@@H]1CCCN(c2ncnc3ccccc32)C1 ZINC000040602352 134866298 /nfs/dbraw/zinc/86/62/98/134866298.db2.gz FIUOCZZLYKZZLH-LBPRGKRZSA-N 1 0 256.353 2.066 10 0 CEAERO C[C@@H]1CN(c2ccc(Br)cc2F)CC[NH2+]1 ZINC000083061064 135013605 /nfs/dbraw/zinc/01/36/05/135013605.db2.gz AUGGXBATIGSMHI-MRVPVSSYSA-N 1 0 273.149 2.386 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)CN1CCCc2ccccc21 ZINC000085238964 135035500 /nfs/dbraw/zinc/03/55/00/135035500.db2.gz DSTUFYMGPJDTEF-MRXNPFEDSA-N 1 0 262.397 2.188 10 0 CEAERO CC[NH2+][C@@H](CO)CCN1c2ccccc2CC[C@@H]1C ZINC000085215623 135035585 /nfs/dbraw/zinc/03/55/85/135035585.db2.gz FXXLTEYZFJADPQ-DZGCQCFKSA-N 1 0 262.397 2.188 10 0 CEAERO COc1cc(F)ccc1N1CC[NH2+][C@@](C)(C2CC2)C1 ZINC000086145059 135039370 /nfs/dbraw/zinc/03/93/70/135039370.db2.gz WGDMKUNGXRLDKA-OAHLLOKOSA-N 1 0 264.344 2.413 10 0 CEAERO CC[C@H]1C[NH2+]CCN1c1ncc(Br)cc1C ZINC000086709040 135048602 /nfs/dbraw/zinc/04/86/02/135048602.db2.gz FVJGZJJPCOUFLI-NSHDSACASA-N 1 0 284.201 2.341 10 0 CEAERO C[C@@H]1[C@@H](C)CCCN1c1nc(NN)[nH+]cc1Cl ZINC000087869094 135052145 /nfs/dbraw/zinc/05/21/45/135052145.db2.gz UHEATKNXGAMYMN-JGVFFNPUSA-N 1 0 255.753 2.040 10 0 CEAERO CC[NH2+][C@@H](C)[C@H]1CCCCN1c1nc(C)cnc1C ZINC000088057510 135052622 /nfs/dbraw/zinc/05/26/22/135052622.db2.gz ZKFOZWNONWGCNU-GXTWGEPZSA-N 1 0 262.401 2.450 10 0 CEAERO [NH3+]Cc1ccc(N2CCC[C@H](C(F)(F)F)C2)nc1 ZINC000088416157 135054121 /nfs/dbraw/zinc/05/41/21/135054121.db2.gz LIZNUIXPZJSHCO-JTQLQIEISA-N 1 0 259.275 2.319 10 0 CEAERO CC(C)n1ncnc1CN1CC[C@H]([NH3+])c2ccccc21 ZINC000088584863 135055308 /nfs/dbraw/zinc/05/53/08/135055308.db2.gz MFILMRKNRDJZOC-ZDUSSCGKSA-N 1 0 271.368 2.269 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1C(=O)N1CCOc2ccccc21 ZINC000089395511 135059250 /nfs/dbraw/zinc/05/92/50/135059250.db2.gz HXMCELXWTRQIKU-QWHCGFSZSA-N 1 0 274.364 2.177 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1ccco1 ZINC000089733166 135060464 /nfs/dbraw/zinc/06/04/64/135060464.db2.gz KYSIUIVHHLVCOI-CHWSQXEVSA-N 1 0 272.352 2.389 10 0 CEAERO CCOc1ncnc(N2CCCC[C@H]2C[NH2+]C2CC2)c1C ZINC000090789900 135065568 /nfs/dbraw/zinc/06/55/68/135065568.db2.gz NPYJLOZZZCXKSZ-AWEZNQCLSA-N 1 0 290.411 2.295 10 0 CEAERO CCOc1cc(N2CCC[C@H](C[NH2+]C3CC3)C2)nc(C)n1 ZINC000090788152 135065658 /nfs/dbraw/zinc/06/56/58/135065658.db2.gz JKFRZIPOENWCSI-CYBMUJFWSA-N 1 0 290.411 2.152 10 0 CEAERO Cc1ccc2c(c1)CCCN2c1cncc(C[NH3+])n1 ZINC000091418927 135069304 /nfs/dbraw/zinc/06/93/04/135069304.db2.gz BXRCUMODXAWGDR-UHFFFAOYSA-N 1 0 254.337 2.328 10 0 CEAERO C[NH2+]Cc1cncc(N2CCCc3ccccc32)n1 ZINC000091418873 135069463 /nfs/dbraw/zinc/06/94/63/135069463.db2.gz XTMSYUZKEBQPSW-UHFFFAOYSA-N 1 0 254.337 2.280 10 0 CEAERO CC[C@H]1CCCCN1c1cncc(C[NH2+]C2CC2)n1 ZINC000091419122 135069516 /nfs/dbraw/zinc/06/95/16/135069516.db2.gz SGEJYHQHGWHZFF-AWEZNQCLSA-N 1 0 260.385 2.498 10 0 CEAERO CNc1cc[nH+]c(CN2c3ccccc3O[C@@H](C)C2=O)c1 ZINC000092419655 135076383 /nfs/dbraw/zinc/07/63/83/135076383.db2.gz WLHYTHGWLUDKLE-NSHDSACASA-N 1 0 283.331 2.437 10 0 CEAERO Cc1cccc2c1N(C(=O)[C@@H]1CC[NH2+][C@H]1C)CCC2 ZINC000092956031 135077610 /nfs/dbraw/zinc/07/76/10/135077610.db2.gz BCKOCMLAVJHARI-GXTWGEPZSA-N 1 0 258.365 2.272 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](Nc2ccc(N3CCCCC3)nc2)C1 ZINC000093206390 135079617 /nfs/dbraw/zinc/07/96/17/135079617.db2.gz SMUVZUVCCBCDJC-CHWSQXEVSA-N 1 0 260.385 2.364 10 0 CEAERO [NH3+]C[C@@]1(O)CCC[C@@H]1CCN1CCCc2ccccc21 ZINC000093627106 135081618 /nfs/dbraw/zinc/08/16/18/135081618.db2.gz BYAOUKSGURGZCH-WBVHZDCISA-N 1 0 274.408 2.319 10 0 CEAERO CCOc1cc(N2CC[N@@H+]3CCCC[C@@H]3C2)c(N)cc1F ZINC000094439059 135088043 /nfs/dbraw/zinc/08/80/43/135088043.db2.gz UDWUBRNWTGEPAJ-GFCCVEGCSA-N 1 0 293.386 2.481 10 0 CEAERO [NH3+][C@@H]1CCCc2ccc(Br)cc2[C@H]1O ZINC000019795576 394469449 /nfs/dbraw/zinc/46/94/49/394469449.db2.gz LJJQRMGJXRGYMM-GHMZBOCLSA-N 1 0 256.143 2.146 10 0 CEAERO [NH3+]C[C@@H]1CC[C@@H](c2ccc(Br)cn2)O1 ZINC000306207706 394514677 /nfs/dbraw/zinc/51/46/77/394514677.db2.gz RAQDRLNCUNOWOD-WPRPVWTQSA-N 1 0 257.131 2.023 10 0 CEAERO COc1c(C)cnc(C[NH2+][C@@H](C)[C@@H]2CCCO2)c1C ZINC000035735735 394494259 /nfs/dbraw/zinc/49/42/59/394494259.db2.gz PFRALRBXFSZNRM-JSGCOSHPSA-N 1 0 264.369 2.364 10 0 CEAERO C[C@@H]1C[NH+](C[C@H](O)COCc2ccccc2)C[C@@H](C)S1 ZINC000070384748 394586914 /nfs/dbraw/zinc/58/69/14/394586914.db2.gz GLDUWTVWYYESIM-FMKPAKJESA-N 1 0 295.448 2.390 10 0 CEAERO [NH3+][C@H]1CSC[C@@H]1Cc1ccc(Br)o1 ZINC000306774566 394518163 /nfs/dbraw/zinc/51/81/63/394518163.db2.gz VWAJXDBXPPRQLO-XPUUQOCRSA-N 1 0 262.172 2.275 10 0 CEAERO CCOCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000248556431 394542892 /nfs/dbraw/zinc/54/28/92/394542892.db2.gz BMVYUDKROYSPTC-BFHYXJOUSA-N 1 0 298.427 2.258 10 0 CEAERO CCCCOC[C@H](O)C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000248662291 394545137 /nfs/dbraw/zinc/54/51/37/394545137.db2.gz YFMXSEDLLWEHRO-RBSFLKMASA-N 1 0 255.402 2.429 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(c3ccc(Br)cn3)C[C@H]12 ZINC000261566847 394602749 /nfs/dbraw/zinc/60/27/49/394602749.db2.gz DQDCSKZAWULCNT-DVVUODLYSA-N 1 0 282.185 2.018 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]2CN(c3nc(C(F)(F)F)ns3)C[C@H]21 ZINC000261563695 394602929 /nfs/dbraw/zinc/60/29/29/394602929.db2.gz BVLSTAJQXXTDRQ-XLPZGREQSA-N 1 0 292.330 2.121 10 0 CEAERO FC(F)(F)c1cccnc1N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261584709 394603572 /nfs/dbraw/zinc/60/35/72/394603572.db2.gz HYMFPCGFJVXASE-LBPRGKRZSA-N 1 0 271.286 2.290 10 0 CEAERO FC(F)(F)c1ccc(N2CC[N@@H+]3CCCC[C@@H]3C2)nn1 ZINC000270983332 394744102 /nfs/dbraw/zinc/74/41/02/394744102.db2.gz VWEOYNKGUMJJID-SNVBAGLBSA-N 1 0 286.301 2.170 10 0 CEAERO CC[C@H]([NH2+][C@H]1CCN(C(C)C)C1=O)[C@H]1CC1(C)C ZINC000414107220 394703919 /nfs/dbraw/zinc/70/39/19/394703919.db2.gz YKTRDOCLAHJIFJ-AGIUHOORSA-N 1 0 252.402 2.410 10 0 CEAERO CCNc1ncc(C(=O)N(C)C[C@H]2CCC[N@@H+]2CC)s1 ZINC000129559633 394868390 /nfs/dbraw/zinc/86/83/90/394868390.db2.gz LOXCZKVSBXEQEH-LLVKDONJSA-N 1 0 296.440 2.131 10 0 CEAERO CC(C)(C(=O)Nc1ccc(Cl)cc1F)N1CC[NH2+]CC1 ZINC000129628949 394870359 /nfs/dbraw/zinc/87/03/59/394870359.db2.gz GDAKDOIJDJBLBB-UHFFFAOYSA-N 1 0 299.777 2.101 10 0 CEAERO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H](CO)CC(F)(F)F ZINC000423011273 394881461 /nfs/dbraw/zinc/88/14/61/394881461.db2.gz ILWGXUDZHGUUDL-WOPDTQHZSA-N 1 0 282.350 2.200 10 0 CEAERO CCOC(C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)OCC ZINC000124978541 394841516 /nfs/dbraw/zinc/84/15/16/394841516.db2.gz AVOMLWKTHYSMJS-CYBMUJFWSA-N 1 0 267.373 2.336 10 0 CEAERO C[NH+](C)C[C@@H]1CN(CC2CCCCCC2)CCO1 ZINC000128228522 394853738 /nfs/dbraw/zinc/85/37/38/394853738.db2.gz UKBWYYKQVUZIBL-OAHLLOKOSA-N 1 0 254.418 2.219 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1nc(C)cs1 ZINC000131085077 394903451 /nfs/dbraw/zinc/90/34/51/394903451.db2.gz MCGAAWNATQVFJC-LBPRGKRZSA-N 1 0 253.415 2.368 10 0 CEAERO c1ccc(CC[N@@H+]2CC[C@@H](Oc3cccnc3)C2)nc1 ZINC000152220941 394990746 /nfs/dbraw/zinc/99/07/46/394990746.db2.gz WTEKWLSRJJWUTH-MRXNPFEDSA-N 1 0 269.348 2.172 10 0 CEAERO CCc1nnc(C[NH2+][C@H]2CCCC[C@H]2CC)n1C ZINC000163297351 395083022 /nfs/dbraw/zinc/08/30/22/395083022.db2.gz DXTJXNDDMFQSFK-NEPJUHHUSA-N 1 0 250.390 2.436 10 0 CEAERO Fc1ccc2ncnc(N3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000171939515 395099408 /nfs/dbraw/zinc/09/94/08/395099408.db2.gz YRIJLGYIDJRQAW-GFCCVEGCSA-N 1 0 272.327 2.053 10 0 CEAERO CC(C)n1ccnc1C[NH2+][C@H](CC(N)=O)C1CCCCC1 ZINC000182019922 395228902 /nfs/dbraw/zinc/22/89/02/395228902.db2.gz ARDVKTNPKQUYSK-CQSZACIVSA-N 1 0 292.427 2.378 10 0 CEAERO C[C@H](NC(=O)C1(C)C[NH2+]C1)c1ccc2c(c1)CCCC2 ZINC000399310294 395244669 /nfs/dbraw/zinc/24/46/69/395244669.db2.gz QVCPVLOWNXZDHD-LBPRGKRZSA-N 1 0 272.392 2.352 10 0 CEAERO O[C@H]1CCC[C@@H](C[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000383269984 395184579 /nfs/dbraw/zinc/18/45/79/395184579.db2.gz FSYQLOHLNFZRQP-WBVHZDCISA-N 1 0 274.408 2.360 10 0 CEAERO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@@H]1CCc2ncnn2C1 ZINC000180601253 395204848 /nfs/dbraw/zinc/20/48/48/395204848.db2.gz QRCRMYXMLAKCTL-SYQHCUMBSA-N 1 0 262.401 2.397 10 0 CEAERO O[C@]12CCCC[C@@H]1C[N@H+](CCC[C@H]1CCOC1)CC2 ZINC000400538130 395252976 /nfs/dbraw/zinc/25/29/76/395252976.db2.gz KIQDROIXBFHDNB-XHSDSOJGSA-N 1 0 267.413 2.430 10 0 CEAERO O[C@H](C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)COCc1ccco1 ZINC000403577676 395278024 /nfs/dbraw/zinc/27/80/24/395278024.db2.gz ZBSVATRCKFDGAN-APIJFGDWSA-N 1 0 279.380 2.183 10 0 CEAERO CCO[C@@H]1CN(c2nccc3ccccc32)C[C@H]1C[NH3+] ZINC000405386662 395288911 /nfs/dbraw/zinc/28/89/11/395288911.db2.gz PUCPJIMNNLQXNO-UKRRQHHQSA-N 1 0 271.364 2.035 10 0 CEAERO C[C@@H]1CN(CC[N@H+](C)Cc2ccc(F)cc2)[C@H](C)CO1 ZINC000186502264 395291599 /nfs/dbraw/zinc/29/15/99/395291599.db2.gz XCURFOLVNOAAHF-ZIAGYGMSSA-N 1 0 280.387 2.367 10 0 CEAERO [NH3+]C1CCC(C(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000403250193 395274067 /nfs/dbraw/zinc/27/40/67/395274067.db2.gz HHBDSLIYWANCAZ-HUEPFSFMSA-N 1 0 250.386 2.056 10 0 CEAERO O=C1Nc2ccccc2CC[C@@H]1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000192108532 395373348 /nfs/dbraw/zinc/37/33/48/395373348.db2.gz NCOZEECQJMGIMJ-WBVHZDCISA-N 1 0 299.418 2.110 10 0 CEAERO CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000192941349 395396478 /nfs/dbraw/zinc/39/64/78/395396478.db2.gz GOEUBMFRPHOEOT-WDEREUQCSA-N 1 0 297.424 2.269 10 0 CEAERO CSC1(CNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)CCC1 ZINC000195026251 395456809 /nfs/dbraw/zinc/45/68/09/395456809.db2.gz RRHSZPYBZQBKIJ-STQMWFEESA-N 1 0 299.484 2.300 10 0 CEAERO Cc1cc(F)c(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cc1F ZINC000193482740 395410014 /nfs/dbraw/zinc/41/00/14/395410014.db2.gz QXLQPCDQDVFMFP-NOZJJQNGSA-N 1 0 268.307 2.144 10 0 CEAERO CC(C)[C@H](C)NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000193607011 395411732 /nfs/dbraw/zinc/41/17/32/395411732.db2.gz FOZKJIIPMAQEQU-LBPRGKRZSA-N 1 0 267.417 2.205 10 0 CEAERO N[C@@]1(c2ccns2)CC[N@H+](Cc2ccccc2)C1 ZINC000575451605 395664413 /nfs/dbraw/zinc/66/44/13/395664413.db2.gz SVSUCDCHSBLSCT-AWEZNQCLSA-N 1 0 259.378 2.203 10 0 CEAERO CCOCCN(CC)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000152413081 289088551 /nfs/dbraw/zinc/08/85/51/289088551.db2.gz OUHLANJPZKULNR-OAHLLOKOSA-N 1 0 299.459 2.175 10 0 CEAERO Cc1ccc(C(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)c(O)c1 ZINC000083704034 292069846 /nfs/dbraw/zinc/06/98/46/292069846.db2.gz KDVUJBSDAZEBGK-UONOGXRCSA-N 1 0 288.391 2.399 10 0 CEAERO CC(C)OC1CCC(NC(=O)C[C@H]([NH3+])C(C)C)CC1 ZINC000649375471 396133120 /nfs/dbraw/zinc/13/31/20/396133120.db2.gz ALEQZLJEVBCZSR-RUXDESIVSA-N 1 0 270.417 2.212 10 0 CEAERO CCC(CC)NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000646092625 396289413 /nfs/dbraw/zinc/28/94/13/396289413.db2.gz FZIXWDJUIVMEJN-CDGCEXEKSA-N 1 0 252.402 2.458 10 0 CEAERO C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCC[C@H]([NH3+])C2)o1 ZINC000646568814 396359039 /nfs/dbraw/zinc/35/90/39/396359039.db2.gz SOKNZPJFFAEWMY-MBNYWOFBSA-N 1 0 276.380 2.285 10 0 CEAERO COc1cc(C[NH2+]CC[C@@H]2CCCO2)cc2c1OCCO2 ZINC000037988792 400122821 /nfs/dbraw/zinc/12/28/21/400122821.db2.gz XRBQIHJQIYHZPT-ZDUSSCGKSA-N 1 0 293.363 2.125 10 0 CEAERO Cc1ccccc1[C@H](C)[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC000042256838 400132398 /nfs/dbraw/zinc/13/23/98/400132398.db2.gz GBWAEDJCFXYUAH-JYJNAYRXSA-N 1 0 293.407 2.202 10 0 CEAERO Cc1ccc(CNC(=O)C2CCC([NH3+])CC2)s1 ZINC000050226545 400238618 /nfs/dbraw/zinc/23/86/18/400238618.db2.gz QIPLYYOGUIKUHR-UHFFFAOYSA-N 1 0 252.383 2.190 10 0 CEAERO COc1ccc([C@@H](C)[NH2+][C@@H]2CCCNC(=O)C2)cc1OC ZINC000111826027 400273745 /nfs/dbraw/zinc/27/37/45/400273745.db2.gz HPTVEWTZFMAVSO-DGCLKSJQSA-N 1 0 292.379 2.023 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000111891448 400274822 /nfs/dbraw/zinc/27/48/22/400274822.db2.gz KJRRRSXNUGCIOS-BZUAXINKSA-N 1 0 287.407 2.136 10 0 CEAERO CC1([NH3+])CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000114311692 400277340 /nfs/dbraw/zinc/27/73/40/400277340.db2.gz NQHKSNGGPWRQGZ-UHFFFAOYSA-N 1 0 259.275 2.418 10 0 CEAERO Cc1cc(C[NH2+][C@@H](C)CN(C)Cc2ccccc2)n(C)n1 ZINC000309763295 400340948 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295.452 2.263 10 0 CEAERO Cc1cnc([C@@H](C)NC[C@@H](O)COCc2cccs2)o1 ZINC000230642526 153394003 /nfs/dbraw/zinc/39/40/03/153394003.db2.gz MFIOABRCWMQRBH-VXGBXAGGSA-N 1 0 296.392 2.273 10 0 CEAERO CCCCOc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC000232973119 153415063 /nfs/dbraw/zinc/41/50/63/153415063.db2.gz LLDCWHBRDYZADV-IUODEOHRSA-N 1 0 276.380 2.285 10 0 CEAERO Cc1ncsc1/C=C/C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000249114037 153683740 /nfs/dbraw/zinc/68/37/40/153683740.db2.gz DCRRXWBNUBRHOI-QJSMKMSWSA-N 1 0 291.420 2.160 10 0 CEAERO C[C@@H](CCNC(=O)[C@@H]1CCCO[C@H]1C)[NH+]1CCCCC1 ZINC000249648873 153706649 /nfs/dbraw/zinc/70/66/49/153706649.db2.gz TWQZZTUYIJQFPH-SOUVJXGZSA-N 1 0 282.428 2.182 10 0 CEAERO CC1(C)CN(C(=O)Nc2cccc(F)c2)CC[C@@H]1[NH3+] ZINC000261573575 153769091 /nfs/dbraw/zinc/76/90/91/153769091.db2.gz VNFUETFICYYKBS-LBPRGKRZSA-N 1 0 265.332 2.417 10 0 CEAERO CCc1cc(CC)nc(N2CC[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000261581437 153772557 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[NH3+][C@@H]1CC[C@@H]2CN(C(=O)Nc3ccc(F)cc3F)C[C@H]12 ZINC000261861773 153860859 /nfs/dbraw/zinc/86/08/59/153860859.db2.gz XXTBNLSYSCPBQO-UBHAPETDSA-N 1 0 281.306 2.166 10 0 CEAERO Cc1ccc(SCCNC(=O)[C@H](C)C2C[NH2+]C2)cc1 ZINC000262255077 153931435 /nfs/dbraw/zinc/93/14/35/153931435.db2.gz SZZSJGOPVBAJIA-GFCCVEGCSA-N 1 0 278.421 2.059 10 0 CEAERO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C1([NH3+])CCCC1 ZINC000262495296 153954809 /nfs/dbraw/zinc/95/48/09/153954809.db2.gz YYGQUFOYGPOCQT-OAHLLOKOSA-N 1 0 290.407 2.148 10 0 CEAERO C[C@@H](C[NH3+])NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000262553157 153958079 /nfs/dbraw/zinc/95/80/79/153958079.db2.gz ZRNHMFMDBQKMFT-KPXOXKRLSA-N 1 0 297.196 2.016 10 0 CEAERO CN(CC[NH3+])[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000263017026 154004381 /nfs/dbraw/zinc/00/43/81/154004381.db2.gz QKUBCIPRESRWMX-CQSZACIVSA-N 1 0 276.771 2.110 10 0 CEAERO CC(C)(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC000263209063 154033927 /nfs/dbraw/zinc/03/39/27/154033927.db2.gz KBDHEIIQLWDSMS-LJISPDSOSA-N 1 0 268.445 2.151 10 0 CEAERO CC[C@H](NC(=O)C1C[NH2+]C1)C(C)(C)c1ccccc1 ZINC000263337753 154060955 /nfs/dbraw/zinc/06/09/55/154060955.db2.gz WSHUFUWVBJZISI-AWEZNQCLSA-N 1 0 260.381 2.078 10 0 CEAERO C[C@H]1CCC[C@@H]1[NH2+]C1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263461921 154100128 /nfs/dbraw/zinc/10/01/28/154100128.db2.gz BXJCGZKGZKCPHX-LLGZUXRYSA-N 1 0 280.412 2.092 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)c1ccc(Cl)cc1 ZINC000159998437 162320261 /nfs/dbraw/zinc/32/02/61/162320261.db2.gz QELJWUXZDINJKT-GIPNMCIBSA-N 1 0 266.772 2.373 10 0 CEAERO O=C(Nc1cc(C(F)(F)F)ccc1O)[C@H]1CCC[NH2+]C1 ZINC000166462460 162350028 /nfs/dbraw/zinc/35/00/28/162350028.db2.gz WGEOOQFORRDJEL-QMMMGPOBSA-N 1 0 288.269 2.349 10 0 CEAERO C[C@H]1CCN(c2nc(C(C)(C)C)ns2)[C@H](C[NH3+])C1 ZINC000261551138 162546505 /nfs/dbraw/zinc/54/65/05/162546505.db2.gz SGSYRLBTDGIRQB-UWVGGRQHSA-N 1 0 268.430 2.399 10 0 CEAERO C[C@](O)(C[NH+]1CCC(c2cc[nH]n2)CC1)c1ccccc1 ZINC000170778891 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CCCSCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000175039046 165123520 /nfs/dbraw/zinc/12/35/20/165123520.db2.gz MVHVDTSXGPSLHL-STQMWFEESA-N 1 0 270.442 2.215 10 0 CEAERO Cc1cc(C)cc(C[N@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000177229836 165189286 /nfs/dbraw/zinc/18/92/86/165189286.db2.gz HDXBERJFKXDKFH-FUHWJXTLSA-N 1 0 288.435 2.456 10 0 CEAERO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)C(C)C)C1 ZINC000177841587 165209245 /nfs/dbraw/zinc/20/92/45/165209245.db2.gz INIDRUMBNCMANH-QWHCGFSZSA-N 1 0 255.406 2.014 10 0 CEAERO [NH2+]=C(N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12)NC1CCCC1 ZINC000177900268 165213977 /nfs/dbraw/zinc/21/39/77/165213977.db2.gz VOBBHOQPOGWRJQ-RRFJBIMHSA-N 1 0 255.365 2.381 10 0 CEAERO Cc1cc(F)ccc1CCNC(=O)c1c[nH+]ccc1N ZINC000178007254 165218069 /nfs/dbraw/zinc/21/80/69/165218069.db2.gz FHCULEQPLTZGDU-UHFFFAOYSA-N 1 0 273.311 2.084 10 0 CEAERO C[C@@H]([NH3+])CCNC(=O)c1occc1COc1ccccc1 ZINC000178681520 165253340 /nfs/dbraw/zinc/25/33/40/165253340.db2.gz JSLSQSHJOIQAGA-GFCCVEGCSA-N 1 0 288.347 2.326 10 0 CEAERO CC[C@H](CSC)N(C)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000179596782 165284853 /nfs/dbraw/zinc/28/48/53/165284853.db2.gz VUYNHBVXQHRSHV-QWHCGFSZSA-N 1 0 287.473 2.254 10 0 CEAERO CC(C)n1nnnc1C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000181556535 165348088 /nfs/dbraw/zinc/34/80/88/165348088.db2.gz UARACFWTBASXCQ-OAHLLOKOSA-N 1 0 285.395 2.365 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N(CC)C(C)C ZINC000182538415 287219937 /nfs/dbraw/zinc/21/99/37/287219937.db2.gz SGJYEJVFYSVLSD-ZIAGYGMSSA-N 1 0 267.417 2.395 10 0 CEAERO CSC(c1c[nH]c2ccccc21)=[N+]1CCOCC1 ZINC000006019658 170169365 /nfs/dbraw/zinc/16/93/65/170169365.db2.gz ZIMIBEWEQHNOCO-UHFFFAOYSA-O 1 0 261.370 2.320 10 0 CEAERO CC(C)C[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000006306862 170189764 /nfs/dbraw/zinc/18/97/64/170189764.db2.gz PZRCZHNCQHAWBI-LLVKDONJSA-N 1 0 257.761 2.325 10 0 CEAERO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000008699287 170346242 /nfs/dbraw/zinc/34/62/42/170346242.db2.gz JWSXJOXJOYGGGZ-DTWKUNHWSA-N 1 0 274.147 2.469 10 0 CEAERO Cc1ccc(O[C@@H]2CC3(CC[C@H]2[NH3+])OCCO3)cc1C ZINC000019258107 170760185 /nfs/dbraw/zinc/76/01/85/170760185.db2.gz CJVMEEOJGRYKSE-HUUCEWRRSA-N 1 0 277.364 2.305 10 0 CEAERO COc1ccc(C[NH2+]C[C@@H](C(C)C)N(C)C)cc1 ZINC000020145428 171031373 /nfs/dbraw/zinc/03/13/73/171031373.db2.gz ASWYFXCNHVMYRC-HNNXBMFYSA-N 1 0 250.386 2.371 10 0 CEAERO CCCCN(C)S(=O)(=O)c1ccc(C[NH2+]CC)cc1 ZINC000020188547 171053352 /nfs/dbraw/zinc/05/33/52/171053352.db2.gz ZLZREAZTAVPZRX-UHFFFAOYSA-N 1 0 284.425 2.217 10 0 CEAERO CO[C@@H]1C[C@@H](CO)N(Cc2ccc(Cl)c(F)c2)C1 ZINC000284580740 196090734 /nfs/dbraw/zinc/09/07/34/196090734.db2.gz NXZVTQSBJZWWKX-WDEREUQCSA-N 1 0 273.735 2.061 10 0 CEAERO COc1ccc(N(CCC[NH3+])C(=O)C(C)(C)C)cc1 ZINC000020233737 171095199 /nfs/dbraw/zinc/09/51/99/171095199.db2.gz GXUZPBWDYUHSGB-UHFFFAOYSA-N 1 0 264.369 2.423 10 0 CEAERO CCOc1ccc([C@@H](C[NH3+])N2CCSCC2)cc1 ZINC000020257041 171112015 /nfs/dbraw/zinc/11/20/15/171112015.db2.gz JFMJRBHFDOCUAW-CQSZACIVSA-N 1 0 266.410 2.134 10 0 CEAERO Cc1ccc(NC(=O)[C@H]2CC[C@H](C)[NH2+]C2)c(F)c1 ZINC000020372719 171169055 /nfs/dbraw/zinc/16/90/55/171169055.db2.gz VKOVFQFHOPJYPO-QWRGUYRKSA-N 1 0 250.317 2.461 10 0 CEAERO Cc1c(C[NH3+])nnn1-c1cccc(C(F)(F)F)c1 ZINC000020391421 171179987 /nfs/dbraw/zinc/17/99/87/171179987.db2.gz ZRSNQCOHNKPJJS-UHFFFAOYSA-N 1 0 256.231 2.053 10 0 CEAERO CCCCNC(=O)[C@H](C)Oc1ccc([C@H](C)[NH3+])cc1 ZINC000020419278 171183803 /nfs/dbraw/zinc/18/38/03/171183803.db2.gz XDXQOWBQUAUZPO-RYUDHWBXSA-N 1 0 264.369 2.390 10 0 CEAERO CC[C@H]([NH3+])c1ccc(O[C@H](C)C(=O)NC(C)C)cc1 ZINC000020419579 171184318 /nfs/dbraw/zinc/18/43/18/171184318.db2.gz DFRZTBOILJHYPR-RISCZKNCSA-N 1 0 264.369 2.388 10 0 CEAERO C[C@@H](Oc1ccccc1[C@H](C)[NH3+])C(=O)N1CCCC1 ZINC000020419477 171184397 /nfs/dbraw/zinc/18/43/97/171184397.db2.gz GLNMPXZYHWHHTR-NWDGAFQWSA-N 1 0 262.353 2.096 10 0 CEAERO CC(C)CNC(=O)[C@@H](C)Oc1cccc([C@H](C)[NH3+])c1 ZINC000020419808 171185210 /nfs/dbraw/zinc/18/52/10/171185210.db2.gz KUGBGUCEVBTIPT-NWDGAFQWSA-N 1 0 264.369 2.246 10 0 CEAERO COc1ccccc1[C@H]([NH3+])c1ccc2c(c1)CC(=O)N2C ZINC000020431205 171196029 /nfs/dbraw/zinc/19/60/29/171196029.db2.gz DMHJORPEEWTPHY-QGZVFWFLSA-N 1 0 282.343 2.262 10 0 CEAERO Cc1ccc(S(=O)(=O)Nc2ccccc2C[NH3+])cc1 ZINC000021956992 171341902 /nfs/dbraw/zinc/34/19/02/171341902.db2.gz QOTGSVHSJGKAIT-UHFFFAOYSA-N 1 0 276.361 2.255 10 0 CEAERO CC(C)[NH2+]C[C@H](O)COc1cccc2ccc(O)cc21 ZINC000022061136 171351732 /nfs/dbraw/zinc/35/17/32/171351732.db2.gz ZAVISZICVBECEV-AWEZNQCLSA-N 1 0 275.348 2.283 10 0 in-vitro CEAERO CCC[NH+](CCC)CC(=O)Nc1ccc(F)cc1N ZINC000022155668 171362601 /nfs/dbraw/zinc/36/26/01/171362601.db2.gz DCNBDZWZJSPCEF-UHFFFAOYSA-N 1 0 267.348 2.468 10 0 CEAERO C[C@@H](C(=O)Nc1cccc(N)c1)[N@@H+]1CCCC[C@@H]1C ZINC000022156592 171363016 /nfs/dbraw/zinc/36/30/16/171363016.db2.gz KWMFFDPKPYLPFX-RYUDHWBXSA-N 1 0 261.369 2.470 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)ccc1N ZINC000022166595 171366364 /nfs/dbraw/zinc/36/63/64/171366364.db2.gz DAELHJYLGVVRAY-NSHDSACASA-N 1 0 281.787 2.136 10 0 CEAERO COc1ccc([C@H](C[NH3+])N(C)C(C)C)c(OC)c1 ZINC000022167743 171366873 /nfs/dbraw/zinc/36/68/73/171366873.db2.gz SLWVQTKUVPWDKA-ZDUSSCGKSA-N 1 0 252.358 2.044 10 0 CEAERO C[C@@H](C(=O)Nc1ccc(N)c(C(F)(F)F)c1)[NH+](C)C ZINC000022167666 171366959 /nfs/dbraw/zinc/36/69/59/171366959.db2.gz KCMWCMZNRRHYLG-ZETCQYMHSA-N 1 0 275.274 2.176 10 0 CEAERO C[C@H](OCC(F)(F)F)C(=O)Nc1cccc(C[NH3+])c1 ZINC000022175059 171370058 /nfs/dbraw/zinc/37/00/58/171370058.db2.gz KCFMUNNOJXJKCM-QMMMGPOBSA-N 1 0 276.258 2.051 10 0 CEAERO COc1cc(N)ccc1NC(=O)CC[NH+]1CCCCC1 ZINC000022178051 171371533 /nfs/dbraw/zinc/37/15/33/171371533.db2.gz BYSSCKRMCCZHMB-UHFFFAOYSA-N 1 0 277.368 2.092 10 0 CEAERO CC(C)[N@H+](C)[C@H](C)C(=O)Nc1cc(N)ccc1F ZINC000022177775 171371671 /nfs/dbraw/zinc/37/16/71/171371671.db2.gz ZRWHMJULGSUGGU-SECBINFHSA-N 1 0 253.321 2.075 10 0 CEAERO Cc1ccc(NC(=O)COc2ccccc2C[NH3+])cc1 ZINC000022219768 171377453 /nfs/dbraw/zinc/37/74/53/171377453.db2.gz CVZWMROVYNPDLN-UHFFFAOYSA-N 1 0 270.332 2.471 10 0 CEAERO COc1ccc2cc([C@H](C[NH3+])N3CCOCC3)ccc2c1 ZINC000022222510 171378677 /nfs/dbraw/zinc/37/86/77/171378677.db2.gz LOLNYXDDDVSHDS-KRWDZBQOSA-N 1 0 286.375 2.180 10 0 CEAERO C[C@H]1C[C@H](C)C[NH+](C[C@@H](N)c2ccc3c(c2)OCO3)C1 ZINC000022563091 171391224 /nfs/dbraw/zinc/39/12/24/171391224.db2.gz YMIGISYPWWXSAE-SGMGOOAPSA-N 1 0 276.380 2.393 10 0 CEAERO COC(=O)[C@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(F)cc1)[NH2+]2 ZINC000028019359 171544882 /nfs/dbraw/zinc/54/48/82/171544882.db2.gz HQXXRDHSJOKBAP-YIYPIFLZSA-N 1 0 263.312 2.223 10 0 CEAERO CC(C)[C@H]([NH3+])[C@H](O)c1ccc(Br)cc1 ZINC000032110489 171702472 /nfs/dbraw/zinc/70/24/72/171702472.db2.gz HBRKNWJVJLWSDD-WDEREUQCSA-N 1 0 258.159 2.466 10 0 CEAERO [NH3+]CCC(=O)N(Cc1c(F)cccc1Cl)C1CC1 ZINC000032118383 171710697 /nfs/dbraw/zinc/71/06/97/171710697.db2.gz WHLBELCIDOCNDO-UHFFFAOYSA-N 1 0 270.735 2.319 10 0 CEAERO CC[C@H](C)NC(=O)COc1ccc([C@H](C)[NH2+]C)cc1 ZINC000034819089 171872216 /nfs/dbraw/zinc/87/22/16/171872216.db2.gz LCCBAWJFRLDYDC-RYUDHWBXSA-N 1 0 264.369 2.261 10 0 CEAERO CCNC(=O)[C@@H](C)[NH2+][C@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000035012003 171929701 /nfs/dbraw/zinc/92/97/01/171929701.db2.gz RNIUOWWJUGOURJ-RQJABVFESA-N 1 0 252.402 2.460 10 0 CEAERO C[C@@H]1C[C@@H]1[C@H]([NH3+])c1cc2c(cc1Cl)NC(=O)C2 ZINC000035359480 172149971 /nfs/dbraw/zinc/14/99/71/172149971.db2.gz XHDSCXFPTXMIBQ-QAMQWIBQSA-N 1 0 250.729 2.490 10 0 CEAERO CCNC(=O)[C@@H](C)[N@H+](Cc1cccc(N)c1)C(C)C ZINC000035365630 172155873 /nfs/dbraw/zinc/15/58/73/172155873.db2.gz YBXKJWLLRIBXAT-GFCCVEGCSA-N 1 0 263.385 2.004 10 0 CEAERO C[C@H](CS(C)(=O)=O)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000226897281 298872652 /nfs/dbraw/zinc/87/26/52/298872652.db2.gz LZGCKKBLMNZUND-UTUOFQBUSA-N 1 0 261.431 2.224 10 0 CEAERO C[NH2+]Cc1c(N(C)C2CCCC2)nc2sccn12 ZINC000035430128 172198577 /nfs/dbraw/zinc/19/85/77/172198577.db2.gz QIRZNWDONODMLA-UHFFFAOYSA-N 1 0 264.398 2.494 10 0 CEAERO C[NH2+][C@@H](c1cnn(C)c1)c1cccc(Br)c1 ZINC000035500094 172233826 /nfs/dbraw/zinc/23/38/26/172233826.db2.gz ZMAXOHNITGKXPQ-GFCCVEGCSA-N 1 0 280.169 2.491 10 0 CEAERO CN(Cc1ccco1)c1nc2ccccn2c1C[NH3+] ZINC000035716309 172370035 /nfs/dbraw/zinc/37/00/35/172370035.db2.gz FWRZPNZWXZGYGR-UHFFFAOYSA-N 1 0 256.309 2.022 10 0 CEAERO CC(C)c1ccc2c(c1)[C@@H]([NH3+])C[C@@H](C)S2(=O)=O ZINC000035752295 172396709 /nfs/dbraw/zinc/39/67/09/172396709.db2.gz AGKVPIWLHNKXSZ-SKDRFNHKSA-N 1 0 253.367 2.376 10 0 CEAERO COc1cc(C[NH3+])ccc1OC[C@@H]1CCCCO1 ZINC000036230608 172527572 /nfs/dbraw/zinc/52/75/72/172527572.db2.gz PVAPERFIRXYIHT-LBPRGKRZSA-N 1 0 251.326 2.102 10 0 CEAERO Cc1c([C@H](C)[NH3+])nnn1-c1ccc(F)c(F)c1F ZINC000036916845 172802911 /nfs/dbraw/zinc/80/29/11/172802911.db2.gz AHRZZSDMGLJGIY-YFKPBYRVSA-N 1 0 256.231 2.013 10 0 CEAERO CC[C@@H]1CCCCN1S(=O)(=O)c1cccc(C[NH3+])c1 ZINC000037083318 172940923 /nfs/dbraw/zinc/94/09/23/172940923.db2.gz SWTKCIURHWNTAF-CYBMUJFWSA-N 1 0 282.409 2.099 10 0 CEAERO COc1ccc2c(c1)[C@@H](NCCC[NH+](C)C)CCO2 ZINC000037213725 173034913 /nfs/dbraw/zinc/03/49/13/173034913.db2.gz MIJWEXSWOXCHSK-AWEZNQCLSA-N 1 0 264.369 2.060 10 0 CEAERO CNC(=O)c1ccc(C[NH2+][C@@H]2C[C@@H]3CC=C[C@H]23)cc1 ZINC000037216718 173035856 /nfs/dbraw/zinc/03/58/56/173035856.db2.gz ANJFLLCOMDVZJG-SOUVJXGZSA-N 1 0 256.349 2.100 10 0 CEAERO COCCOCCC[NH2+]Cc1ccc(CSC)o1 ZINC000037237747 173055278 /nfs/dbraw/zinc/05/52/78/173055278.db2.gz FHSNWPVBTDQARZ-UHFFFAOYSA-N 1 0 273.398 2.285 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCS(=O)(=O)c2ccccc21)[C@@H]1CCCO1 ZINC000037242381 173058767 /nfs/dbraw/zinc/05/87/67/173058767.db2.gz HZIHQXZOVANSQW-YUTCNCBUSA-N 1 0 295.404 2.062 10 0 CEAERO [NH3+]Cc1ccc(S(=O)(=O)NCC2CCCCC2)s1 ZINC000037260115 173069667 /nfs/dbraw/zinc/06/96/67/173069667.db2.gz YZXGAMWBVVICJO-UHFFFAOYSA-N 1 0 288.438 2.065 10 0 CEAERO Cc1ccc(/C=C2\SC(=O)N(CC[NH3+])C2=O)c(C)c1 ZINC000037326778 173127988 /nfs/dbraw/zinc/12/79/88/173127988.db2.gz DJNNHTULZNIUIV-WQLSENKSSA-N 1 0 276.361 2.298 10 0 CEAERO COc1ccc2[nH]cc(C(=O)[C@@H]3CCC[NH2+]C3)c2c1 ZINC000037330567 173132074 /nfs/dbraw/zinc/13/20/74/173132074.db2.gz GIXVSJXYEKMJPF-SNVBAGLBSA-N 1 0 258.321 2.359 10 0 CEAERO [NH3+]C[C@H](O)COc1ccc(Cl)c2ccccc12 ZINC000037364332 173154016 /nfs/dbraw/zinc/15/40/16/173154016.db2.gz RVGSMXMXVFZJPF-VIFPVBQESA-N 1 0 251.713 2.192 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000037386235 173168540 /nfs/dbraw/zinc/16/85/40/173168540.db2.gz XWYRNAFYDHTLOD-MRVPVSSYSA-N 1 0 286.278 2.335 10 0 CEAERO CO[C@H]1C[NH2+][C@H](c2nc3cc(Cl)ccc3n2C)C1 ZINC000037440320 173210341 /nfs/dbraw/zinc/21/03/41/173210341.db2.gz BNIWGQPZZFRNTG-KOLCDFICSA-N 1 0 265.744 2.276 10 0 CEAERO [NH3+][C@H](Cc1cccc(Br)c1)c1cnccn1 ZINC000037467122 173226778 /nfs/dbraw/zinc/22/67/78/173226778.db2.gz PEAQMGIWWQRZDQ-LLVKDONJSA-N 1 0 278.153 2.482 10 0 CEAERO [NH3+][C@H](Cc1cccc(Br)c1)c1ncccn1 ZINC000037467232 173226857 /nfs/dbraw/zinc/22/68/57/173226857.db2.gz UZIIZLSFIYNDDR-LLVKDONJSA-N 1 0 278.153 2.482 10 0 CEAERO CC[C@@H](C)C[C@@](CC)(C[NH3+])N(CCOC)CCOC ZINC000037489448 173231364 /nfs/dbraw/zinc/23/13/64/173231364.db2.gz SFHITWSUUHLESJ-CABCVRRESA-N 1 0 274.449 2.125 10 0 CEAERO CC[NH2+]C1CCN(C(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000037536560 173255335 /nfs/dbraw/zinc/25/53/35/173255335.db2.gz RXBGKOPDQFDGFR-MJBXVCDLSA-N 1 0 264.413 2.413 10 0 CEAERO CC[C@H]([NH3+])Cc1ccc(OCC(=O)N(CC)CC)cc1 ZINC000037723940 173642314 /nfs/dbraw/zinc/64/23/14/173642314.db2.gz PFCXWZHOBKNVND-AWEZNQCLSA-N 1 0 278.396 2.214 10 0 CEAERO C[C@H](NC(=O)C1([NH3+])CCCC1)c1ccccc1F ZINC000037764273 173690875 /nfs/dbraw/zinc/69/08/75/173690875.db2.gz VOFLAMSVPUXYCS-JTQLQIEISA-N 1 0 250.317 2.274 10 0 CEAERO C[NH2+]Cc1c(N2CCC[C@@H]2C)nc2sccn12 ZINC000037911837 173844441 /nfs/dbraw/zinc/84/44/41/173844441.db2.gz SFKZAELVKLSLOL-VIFPVBQESA-N 1 0 250.371 2.104 10 0 CEAERO CCOC(=O)[C@@](CC)(C[C@H](C)CC)N1CC[NH2+]CC1 ZINC000037964083 173907380 /nfs/dbraw/zinc/90/73/80/173907380.db2.gz RZRCMFOSYXCCNH-UKRRQHHQSA-N 1 0 270.417 2.040 10 0 CEAERO COc1ccc([C@H]([NH2+]C2CCCCCC2)C(N)=O)cc1O ZINC000037970466 173919688 /nfs/dbraw/zinc/91/96/88/173919688.db2.gz FPZPBGILNKJFMS-HNNXBMFYSA-N 1 0 292.379 2.240 10 0 CEAERO COc1cccc([C@](C)([NH2+]C2CCCCC2)C(N)=O)c1 ZINC000037971216 173922418 /nfs/dbraw/zinc/92/24/18/173922418.db2.gz CKHCSGACPSKRJV-INIZCTEOSA-N 1 0 276.380 2.318 10 0 CEAERO C[C@H]([NH2+]Cc1cc(-c2ccccc2)cs1)C(N)=O ZINC000038030795 174023442 /nfs/dbraw/zinc/02/34/42/174023442.db2.gz XFKXRNXTBFWFPA-JTQLQIEISA-N 1 0 260.362 2.379 10 0 CEAERO CN(c1c(F)cc(N)cc1F)C1CC[NH+](C)CC1 ZINC000038039814 174039529 /nfs/dbraw/zinc/03/95/29/174039529.db2.gz FENDTKPQCRNRHY-UHFFFAOYSA-N 1 0 255.312 2.077 10 0 CEAERO COC(=O)c1cc(NC2CC[NH2+]CC2)ccc1Cl ZINC000038040885 174040867 /nfs/dbraw/zinc/04/08/67/174040867.db2.gz KXOCNDOIAOMZEO-UHFFFAOYSA-N 1 0 268.744 2.291 10 0 CEAERO CC(C)c1nn(C)cc1C[NH2+]C[C@H]1CCCOC1 ZINC000038045141 174053199 /nfs/dbraw/zinc/05/31/99/174053199.db2.gz ZJBWANHWXNZHBY-GFCCVEGCSA-N 1 0 251.374 2.060 10 0 CEAERO Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCCOC2)c(C)c1 ZINC000038045447 174053878 /nfs/dbraw/zinc/05/38/78/174053878.db2.gz AJIJVQZWWSUPGR-CVEARBPZSA-N 1 0 293.407 2.059 10 0 CEAERO CCc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCOC2)cc1 ZINC000038045413 174053982 /nfs/dbraw/zinc/05/39/82/174053982.db2.gz PMJYZLDCSSYENR-HOTGVXAUSA-N 1 0 293.407 2.005 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)Nc1ccc(F)cc1 ZINC000038049851 174060991 /nfs/dbraw/zinc/06/09/91/174060991.db2.gz PLYIEODWVFJXHG-NWDGAFQWSA-N 1 0 251.305 2.217 10 0 CEAERO CC[C@@H](C)[NH2+][C@@H](C(N)=O)c1ccc(SC)cc1 ZINC000038064832 174075553 /nfs/dbraw/zinc/07/55/53/174075553.db2.gz LUBFCEQDPUQYNG-BXKDBHETSA-N 1 0 252.383 2.323 10 0 CEAERO CC[C@@H](C)[NH2+][C@@H](C(N)=O)c1ccc(OC(F)F)cc1 ZINC000038065272 174076269 /nfs/dbraw/zinc/07/62/69/174076269.db2.gz RDMSQJKHGTWRIA-LDYMZIIASA-N 1 0 272.295 2.203 10 0 CEAERO CC[C@@H](C)[NH2+][C@@](C)(C(N)=O)c1ccc(SC)cc1 ZINC000038065770 174076837 /nfs/dbraw/zinc/07/68/37/174076837.db2.gz WNBBLNVSOWAEHF-QMTHXVAHSA-N 1 0 266.410 2.497 10 0 CEAERO O[C@H](C[NH2+]CC[C@@H]1CCCO1)c1cc(F)ccc1F ZINC000038096791 174110869 /nfs/dbraw/zinc/11/08/69/174110869.db2.gz ZQWRQPWAHYXZLV-SMDDNHRTSA-N 1 0 271.307 2.157 10 0 CEAERO CC(C)(C)[NH2+]C[C@@H](O)COc1cccc2c1CC=CC2 ZINC000038227088 174137569 /nfs/dbraw/zinc/13/75/69/174137569.db2.gz JDOKKQREDFLVNP-CQSZACIVSA-N 1 0 275.392 2.469 10 0 CEAERO COc1cc([C@H](C[NH3+])N2CCCCC2)cc(OC)c1OC ZINC000038809059 174156703 /nfs/dbraw/zinc/15/67/03/174156703.db2.gz ZGJLTMYKSKVVTB-ZDUSSCGKSA-N 1 0 294.395 2.198 10 0 CEAERO CC1CCN([C@@H](C[NH3+])c2ccc3c(c2)OCO3)CC1 ZINC000039174829 174165186 /nfs/dbraw/zinc/16/51/86/174165186.db2.gz PUHNVNHYGXSXBN-ZDUSSCGKSA-N 1 0 262.353 2.147 10 0 CEAERO CC(=O)c1nc2ccccc2n1C(=O)CC[NH+]1CCCC1 ZINC000039757728 174172444 /nfs/dbraw/zinc/17/24/44/174172444.db2.gz CCIJUGUIAKAXPZ-UHFFFAOYSA-N 1 0 285.347 2.365 10 0 CEAERO Cc1ccc(C[NH2+]C[C@@H](C(C)C)N2CCOCC2)cc1 ZINC000040165715 174197363 /nfs/dbraw/zinc/19/73/63/174197363.db2.gz BRQDKFFFUUAIGN-KRWDZBQOSA-N 1 0 276.424 2.441 10 0 CEAERO C[NH2+]Cc1nc2cc(Cl)ccc2n1CCOC ZINC000040404817 174253984 /nfs/dbraw/zinc/25/39/84/174253984.db2.gz YGNYNBJNDBSWNR-UHFFFAOYSA-N 1 0 253.733 2.056 10 0 CEAERO COc1nc(N(C)C)sc1C[NH2+]CC(C)(C)C ZINC000040492883 174292890 /nfs/dbraw/zinc/29/28/90/174292890.db2.gz NPBLVGXJJAZMBQ-UHFFFAOYSA-N 1 0 257.403 2.353 10 0 CEAERO Cc1ccc(OC[C@@H](C)[NH2+][C@@H]2CCCCNC2=O)cc1 ZINC000040499922 174296291 /nfs/dbraw/zinc/29/62/91/174296291.db2.gz ZVKVCOMOMDXVJW-UKRRQHHQSA-N 1 0 276.380 2.021 10 0 CEAERO Cc1ccc(OC[C@H](C)NC(=O)[C@@](C)([NH3+])C2CC2)cc1 ZINC000040500223 174296830 /nfs/dbraw/zinc/29/68/30/174296830.db2.gz BWRQCHHVAINXSD-LRDDRELGSA-N 1 0 276.380 2.006 10 0 CEAERO CCN1CCC[C@H]([NH2+]Cc2ccc(-n3ccnc3)cc2)C1 ZINC000040502829 174299433 /nfs/dbraw/zinc/29/94/33/174299433.db2.gz DXOVPGFONMYUFT-INIZCTEOSA-N 1 0 284.407 2.446 10 0 CEAERO Cc1nc(C)c([C@@H](C)[NH2+][C@H](C)C(=O)NC2CC2)s1 ZINC000040518744 174308818 /nfs/dbraw/zinc/30/88/18/174308818.db2.gz NSMVCCGOCJUPEV-VXNVDRBHSA-N 1 0 267.398 2.078 10 0 CEAERO [NH3+]Cc1ccccc1N1C(=O)C[C@@H](c2ccccc2)C1=O ZINC000040605791 174352993 /nfs/dbraw/zinc/35/29/93/174352993.db2.gz ATJCUOMQFDSUET-AWEZNQCLSA-N 1 0 280.327 2.192 10 0 CEAERO CC(C)[N@@H+]1CC[C@H](CN[C@@H]2CCCc3c2cnn3C)C1 ZINC000040622521 174355786 /nfs/dbraw/zinc/35/57/86/174355786.db2.gz GUKQPVVDNLWYSL-UKRRQHHQSA-N 1 0 276.428 2.117 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000040629691 174357782 /nfs/dbraw/zinc/35/77/82/174357782.db2.gz YUBZJBFXUONOPF-KWQFWETISA-N 1 0 289.162 2.309 10 0 CEAERO CCOc1ccc(NC(=O)[C@H]2C[C@@H](OC)C[NH2+]2)cc1Cl ZINC000040634163 174360539 /nfs/dbraw/zinc/36/05/39/174360539.db2.gz BHTOZYJNKASDMG-ZYHUDNBSSA-N 1 0 298.770 2.054 10 0 CEAERO CCOc1cc(C[NH2+]CCc2nccn2C)ccc1OC ZINC000040638915 174363162 /nfs/dbraw/zinc/36/31/62/174363162.db2.gz MUGCXLLKVVCCHH-UHFFFAOYSA-N 1 0 289.379 2.160 10 0 CEAERO CCOC(=O)CC[NH2+]C[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC000040669580 174367890 /nfs/dbraw/zinc/36/78/90/174367890.db2.gz ONHRTZUPIYHNPH-HIFRSBDPSA-N 1 0 270.417 2.040 10 0 CEAERO C[C@H]1CCC[C@@](CNCC(=O)N2CCCCC2)([NH+](C)C)C1 ZINC000040669793 174368588 /nfs/dbraw/zinc/36/85/88/174368588.db2.gz JLUXIERYASYVBN-DOTOQJQBSA-N 1 0 295.471 2.099 10 0 CEAERO CCOC1CCN(C[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000040690192 174376885 /nfs/dbraw/zinc/37/68/85/174376885.db2.gz ANNTYFBDXFLJMU-OAHLLOKOSA-N 1 0 262.397 2.057 10 0 CEAERO C[N@@H+]1CCC[C@@H](Nc2ccc3ncccc3c2N)C1 ZINC000040715807 174382643 /nfs/dbraw/zinc/38/26/43/174382643.db2.gz YOROHNUJXURQJJ-LLVKDONJSA-N 1 0 256.353 2.323 10 0 CEAERO CCCc1ccc([C@@H]([NH3+])Cn2cnc(C)cc2=O)cc1 ZINC000040728061 174387730 /nfs/dbraw/zinc/38/77/30/174387730.db2.gz BQEJTCUTOHHOSI-HNNXBMFYSA-N 1 0 271.364 2.204 10 0 CEAERO CCOc1ccc([C@H](C)[NH3+])cc1Cn1cnc(C)cc1=O ZINC000040728019 174387733 /nfs/dbraw/zinc/38/77/33/174387733.db2.gz PGGSWRPMSCXFNX-LBPRGKRZSA-N 1 0 287.363 2.018 10 0 CEAERO CCOc1ccc([C@@H](C)[NH3+])cc1Cn1cnc(C)cc1=O ZINC000040728016 174387806 /nfs/dbraw/zinc/38/78/06/174387806.db2.gz PGGSWRPMSCXFNX-GFCCVEGCSA-N 1 0 287.363 2.018 10 0 CEAERO Cc1cc(=O)n(C[C@@H]([NH3+])c2ccc(OC(C)C)cc2)cn1 ZINC000040728071 174387935 /nfs/dbraw/zinc/38/79/35/174387935.db2.gz PLAGKOIYNAECMB-OAHLLOKOSA-N 1 0 287.363 2.039 10 0 CEAERO Cc1nn([C@H](C)C(=O)Nc2ccccc2C[NH3+])c(C)c1C ZINC000040728951 174388109 /nfs/dbraw/zinc/38/81/09/174388109.db2.gz LXOHMSZZDJIGKG-CYBMUJFWSA-N 1 0 286.379 2.467 10 0 CEAERO CC[NH2+]Cc1c(C)nn(C)c1-n1nc(C)c(CC)c1C ZINC000040733465 174388669 /nfs/dbraw/zinc/38/86/69/174388669.db2.gz HVUVYBBMVKLHKG-UHFFFAOYSA-N 1 0 275.400 2.203 10 0 CEAERO CCOc1ccc([C@@H](C)[NH3+])cc1CN1C(=O)C[C@H](C)C1=O ZINC000040739719 174390387 /nfs/dbraw/zinc/39/03/87/174390387.db2.gz NRCIGDZJGZTRFM-WDEREUQCSA-N 1 0 290.363 2.000 10 0 CEAERO O=[S@@]1CC[C@H]([NH2+]C2CC2)c2c(F)ccc(F)c21 ZINC000040977658 174444825 /nfs/dbraw/zinc/44/48/25/174444825.db2.gz SEOOTDNIWWORLO-BTDLBPIBSA-N 1 0 257.305 2.269 10 0 CEAERO CC(C)([NH3+])c1cn(Cc2coc(-c3cccs3)n2)nn1 ZINC000070118492 414766131 /nfs/dbraw/zinc/76/61/31/414766131.db2.gz NHYMETVUMMQULN-UHFFFAOYSA-N 1 0 289.364 2.237 10 0 CEAERO C(C[N@@H+]1CC[C@@H]2OCCN[C@@H]2C1)C1CCCCC1 ZINC000403995596 414771567 /nfs/dbraw/zinc/77/15/67/414771567.db2.gz KXKKQJNVXBGBRK-CABCVRRESA-N 1 0 252.402 2.020 10 0 CEAERO O[C@@H](c1cccc(Br)c1)[C@@H]1CCC[NH2+]1 ZINC000041326343 174522912 /nfs/dbraw/zinc/52/29/12/174522912.db2.gz LDEBFHHKEUVGSS-QWRGUYRKSA-N 1 0 256.143 2.235 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N1CCc2ccccc2[C@@H](C)C1 ZINC000404884585 414791061 /nfs/dbraw/zinc/79/10/61/414791061.db2.gz DJMXVZSMUWGOSV-WFASDCNBSA-N 1 0 260.381 2.302 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@H](C2CCC2)C1 ZINC000662920842 414801738 /nfs/dbraw/zinc/80/17/38/414801738.db2.gz ZCJVNXHQOSKTOR-KKUMJFAQSA-N 1 0 264.413 2.400 10 0 CEAERO C[C@H](NC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1)c1cccs1 ZINC000407453095 414802107 /nfs/dbraw/zinc/80/21/07/414802107.db2.gz MLSSXIYVEPQECU-ZMLRMANQSA-N 1 0 264.394 2.456 10 0 CEAERO O=C(CCCc1c[nH]c2ccccc12)NC[C@@H]1CC[NH2+]C1 ZINC000131855760 414818137 /nfs/dbraw/zinc/81/81/37/414818137.db2.gz IYLVAUYXJUAIDV-CYBMUJFWSA-N 1 0 285.391 2.216 10 0 CEAERO CN(C(=O)c1ccc(Cl)c(F)c1)[C@@H](C[NH3+])C(F)(F)F ZINC000662985336 414818199 /nfs/dbraw/zinc/81/81/99/414818199.db2.gz UOSLKBFZTNOEIY-VIFPVBQESA-N 1 0 298.667 2.441 10 0 CEAERO CCCOc1ccc([C@H]([NH3+])Cn2nc(C)nc2C)cc1 ZINC000041633484 174588108 /nfs/dbraw/zinc/58/81/08/174588108.db2.gz JNAMGNGETRBNSB-OAHLLOKOSA-N 1 0 274.368 2.384 10 0 CEAERO Cc1ncc(C[NH2+][C@H]2CCOc3ccccc32)n1C ZINC000657288390 414833489 /nfs/dbraw/zinc/83/34/89/414833489.db2.gz AFYAQGKYUSDPAY-AWEZNQCLSA-N 1 0 257.337 2.342 10 0 CEAERO CC[NH+](CC)C[C@@H](C)Nc1nc(C)ccc1C(N)=S ZINC000041681162 174604012 /nfs/dbraw/zinc/60/40/12/174604012.db2.gz KFPFWFYZWJPGFH-LLVKDONJSA-N 1 0 280.441 2.166 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(NC(=O)NC2CCC(O)CC2)cc1 ZINC000041709381 174611965 /nfs/dbraw/zinc/61/19/65/174611965.db2.gz OKGHROPKHRJBAE-QGLTVNCISA-N 1 0 291.395 2.392 10 0 CEAERO C[C@H](NC(=O)C[C@@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000042171321 174651551 /nfs/dbraw/zinc/65/15/51/174651551.db2.gz MPYBTNNFPYXZRW-GWCFXTLKSA-N 1 0 250.317 2.145 10 0 CEAERO Cc1[nH]c2ccccc2c1C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000653141215 414921332 /nfs/dbraw/zinc/92/13/32/414921332.db2.gz ZJPICSDADHCQOV-ZYHUDNBSSA-N 1 0 257.337 2.038 10 0 CEAERO Cc1ccccc1NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653056532 414890726 /nfs/dbraw/zinc/89/07/26/414890726.db2.gz LPGBUAMPDLKUND-NXEZZACHSA-N 1 0 272.270 2.331 10 0 CEAERO CC(C)Oc1cc(NCC[C@@H]([NH3+])C(C)C)ncn1 ZINC000663276001 414902154 /nfs/dbraw/zinc/90/21/54/414902154.db2.gz UIZUAOTVEAVAEP-LLVKDONJSA-N 1 0 252.362 2.049 10 0 CEAERO CC(C)(C)C1CCC(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC000657525123 414985100 /nfs/dbraw/zinc/98/51/00/414985100.db2.gz QPTYPVQWGVKTKY-WXRRBKDZSA-N 1 0 252.402 2.317 10 0 CEAERO COCc1nc(CNC[C@H]2CC[N@@H+]2C(C)(C)C)cs1 ZINC000657522256 414986433 /nfs/dbraw/zinc/98/64/33/414986433.db2.gz AEOMDRJKBAKKMS-GFCCVEGCSA-N 1 0 283.441 2.252 10 0 CEAERO CN1C[C@@H](C[NH2+]Cc2cc(Cl)ccc2F)CC1=O ZINC000657694323 415050945 /nfs/dbraw/zinc/05/09/45/415050945.db2.gz CUKMKRJKQIGYNP-SECBINFHSA-N 1 0 270.735 2.047 10 0 CEAERO Cc1ccc(C[NH2+]C[C@H]2CC(=O)N(C)C2)c(Cl)c1 ZINC000657696239 415051281 /nfs/dbraw/zinc/05/12/81/415051281.db2.gz GDOWWRWLFMTBLW-LLVKDONJSA-N 1 0 266.772 2.216 10 0 CEAERO CCCOc1cccc(C[NH2+]C[C@@H]2CC(=O)N(C)C2)c1 ZINC000657695539 415051288 /nfs/dbraw/zinc/05/12/88/415051288.db2.gz AUPXTXBWEFOVTO-AWEZNQCLSA-N 1 0 276.380 2.043 10 0 CEAERO CC[NH+]1CCC(N(C)c2ccccc2C(N)=S)CC1 ZINC000042681606 174836822 /nfs/dbraw/zinc/83/68/22/174836822.db2.gz ZSWFZGUWXUZTLT-UHFFFAOYSA-N 1 0 277.437 2.241 10 0 CEAERO CS[C@H](C)C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000042853426 174892182 /nfs/dbraw/zinc/89/21/82/174892182.db2.gz BRKTYVYGLWAQDX-YPMHNXCESA-N 1 0 266.410 2.157 10 0 CEAERO COC(=O)CCS[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000042904930 174907273 /nfs/dbraw/zinc/90/72/73/174907273.db2.gz JRPCTKWRJRJOTK-GXFFZTMASA-N 1 0 253.367 2.371 10 0 CEAERO Cc1ccc([C@@H]([C@@H](C)[NH3+])N(C)Cc2cnn(C)c2)cc1 ZINC000042909154 174908854 /nfs/dbraw/zinc/90/88/54/174908854.db2.gz OHVWHOOXCAQRDK-CZUORRHYSA-N 1 0 272.396 2.249 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(F)cc1)N1CCC(O)CC1 ZINC000042913027 174911131 /nfs/dbraw/zinc/91/11/31/174911131.db2.gz OBOXZBGLXQUQEO-HUUCEWRRSA-N 1 0 266.360 2.061 10 0 CEAERO [NH3+]C[C@@H](Sc1nncs1)c1ccc(F)cc1 ZINC000042943314 174918780 /nfs/dbraw/zinc/91/87/80/174918780.db2.gz ZKYJNLXOCHXCGE-SECBINFHSA-N 1 0 255.343 2.469 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1nncn1C)c1ccc(OC)cc1 ZINC000042964630 174928103 /nfs/dbraw/zinc/92/81/03/174928103.db2.gz GLLMFXOMMHRPLN-CHWSQXEVSA-N 1 0 292.408 2.394 10 0 CEAERO CC[C@H]([NH3+])[C@@H](SCC(=O)OC)c1ccc(OC)cc1 ZINC000042965081 174928866 /nfs/dbraw/zinc/92/88/66/174928866.db2.gz NFAVJDQAHDONPA-JSGCOSHPSA-N 1 0 283.393 2.380 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1cccc(F)c1)n1nc(C)nc1C ZINC000042973265 174936522 /nfs/dbraw/zinc/93/65/22/174936522.db2.gz LFPNPLAQTJTRLU-UONOGXRCSA-N 1 0 262.332 2.361 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1nncn1C)c1cccc(OC)c1 ZINC000043032002 174949050 /nfs/dbraw/zinc/94/90/50/174949050.db2.gz LJQCGTIAZZYNFJ-STQMWFEESA-N 1 0 292.408 2.394 10 0 CEAERO Cc1ccccc1[C@H](Sc1nnnn1C1CC1)[C@H](C)[NH3+] ZINC000043041053 174953639 /nfs/dbraw/zinc/95/36/39/174953639.db2.gz YLUWPTQKYQVLPG-GXFFZTMASA-N 1 0 289.408 2.497 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccccc1F)N(C)C[C@@H]1CCCO1 ZINC000043044666 174956386 /nfs/dbraw/zinc/95/63/86/174956386.db2.gz MHKWZHGXPGVQEZ-TYNCELHUSA-N 1 0 266.360 2.325 10 0 CEAERO COC(=O)CS[C@H](c1ccccc1F)[C@H](C)[NH3+] ZINC000043050090 174958197 /nfs/dbraw/zinc/95/81/97/174958197.db2.gz XOTHKTKDPCSHJC-UFBFGSQYSA-N 1 0 257.330 2.120 10 0 CEAERO C[C@@H]([NH3+])[C@@H](Oc1ccccc1C(N)=O)c1ccsc1 ZINC000043125036 174977487 /nfs/dbraw/zinc/97/74/87/174977487.db2.gz XKWWTFZQACFUAV-NOZJJQNGSA-N 1 0 276.361 2.314 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1cnn(C)c1)N(C)Cc1ccsc1 ZINC000043127240 174978842 /nfs/dbraw/zinc/97/88/42/174978842.db2.gz OKGPZWCJJSMBEL-GWCFXTLKSA-N 1 0 264.398 2.002 10 0 CEAERO CCC[NH2+][C@H](c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043301369 175002076 /nfs/dbraw/zinc/00/20/76/175002076.db2.gz RZVKTWQLKMGDFN-HUUCEWRRSA-N 1 0 281.421 2.470 10 0 CEAERO CC[NH2+][C@H](c1cccc(C)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000043315514 175004689 /nfs/dbraw/zinc/00/46/89/175004689.db2.gz ZMSFVFQARNCYJD-HIFRSBDPSA-N 1 0 281.421 2.389 10 0 CEAERO Cc1cccc([C@@H](C[NH3+])N2CCOC(C)(C)C2)c1C ZINC000043314690 175004738 /nfs/dbraw/zinc/00/47/38/175004738.db2.gz HQIQWKJGNQYEFZ-OAHLLOKOSA-N 1 0 262.397 2.414 10 0 CEAERO Cc1ccc(-c2nnco2)cc1N[C@H]1CCC[NH2+]C1 ZINC000043326342 175007749 /nfs/dbraw/zinc/00/77/49/175007749.db2.gz SETBDMLGRISWAF-LBPRGKRZSA-N 1 0 258.325 2.209 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1ccco1)N(C)C[C@@H]1CCCCO1 ZINC000043335727 175011075 /nfs/dbraw/zinc/01/10/75/175011075.db2.gz HCPOCRDUWJQCCI-OBJOEFQTSA-N 1 0 252.358 2.169 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccco1)N1CCCSCC1 ZINC000043335654 175011244 /nfs/dbraw/zinc/01/12/44/175011244.db2.gz OKZKVGCLBMOMGF-DGCLKSJQSA-N 1 0 254.399 2.497 10 0 CEAERO [NH3+]C[C@@H](Sc1nnc2n1CCCCC2)c1ccco1 ZINC000043338205 175012485 /nfs/dbraw/zinc/01/24/85/175012485.db2.gz OAYUAEMNIHAOGC-LLVKDONJSA-N 1 0 278.381 2.390 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1ccccn1)N(CCO)C1CCCCC1 ZINC000043340843 175014603 /nfs/dbraw/zinc/01/46/03/175014603.db2.gz KGILPGZHJAXIMN-CJNGLKHVSA-N 1 0 277.412 2.097 10 0 CEAERO CC[C@H]([NH3+])[C@H](SCCC(=O)OC)c1ccccn1 ZINC000043345055 175016401 /nfs/dbraw/zinc/01/64/01/175016401.db2.gz CFBLOLSROFXGEC-GWCFXTLKSA-N 1 0 268.382 2.156 10 0 CEAERO Cc1nnc(S[C@@H](c2ccccn2)[C@H](C)[NH3+])s1 ZINC000043345130 175016785 /nfs/dbraw/zinc/01/67/85/175016785.db2.gz LTUBUAAXVSJBGM-OIBJUYFYSA-N 1 0 266.395 2.422 10 0 CEAERO Cc1nc2ccccc2n1[C@@H](C[NH3+])c1cccnc1 ZINC000043348788 175018312 /nfs/dbraw/zinc/01/83/12/175018312.db2.gz SBDBIJZNXFGCGT-HNNXBMFYSA-N 1 0 252.321 2.288 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1cccnc1)N(CC(F)(F)F)C1CC1 ZINC000043348620 175018433 /nfs/dbraw/zinc/01/84/33/175018433.db2.gz TUQXNILWEQYCJY-CABZTGNLSA-N 1 0 273.302 2.497 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cccnc1)N(C)Cc1cscn1 ZINC000043348665 175018688 /nfs/dbraw/zinc/01/86/88/175018688.db2.gz WZYAXXYAPPKOAA-KGLIPLIRSA-N 1 0 276.409 2.449 10 0 CEAERO C[C@H]([NH3+])[C@H](Sc1nncs1)c1cccnc1 ZINC000043352065 175019670 /nfs/dbraw/zinc/01/96/70/175019670.db2.gz MLBDKUXAZMJBES-CBAPKCEASA-N 1 0 252.368 2.114 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1nccn1C)c1cccnc1 ZINC000043351629 175019744 /nfs/dbraw/zinc/01/97/44/175019744.db2.gz CZVQOZQNLHVVOL-VXGBXAGGSA-N 1 0 262.382 2.386 10 0 CEAERO CCCCOCCO[C@H](c1cccnc1)[C@H](C)[NH3+] ZINC000043350762 175019830 /nfs/dbraw/zinc/01/98/30/175019830.db2.gz AGQJGVKAZFSWEV-JSGCOSHPSA-N 1 0 252.358 2.303 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1cnn(C)c1)c1ccncc1 ZINC000043363619 175024158 /nfs/dbraw/zinc/02/41/58/175024158.db2.gz XHWHPXMYASGDOP-CHWSQXEVSA-N 1 0 262.382 2.386 10 0 CEAERO COC1CCN([C@H](c2ccc(C)o2)[C@H](C)[NH3+])CC1 ZINC000043364101 175024972 /nfs/dbraw/zinc/02/49/72/175024972.db2.gz KXOIUGQGILYZPV-FZMZJTMJSA-N 1 0 252.358 2.087 10 0 CEAERO Cc1ccc([C@H]([C@H](C)[NH3+])N2CCCC[C@@H]2CCO)o1 ZINC000043363837 175024983 /nfs/dbraw/zinc/02/49/83/175024983.db2.gz WSPQHPKCAJLBHX-GUTXKFCHSA-N 1 0 266.385 2.213 10 0 CEAERO CC[C@@H]([NH3+])[C@H](N(C)Cc1ccccn1)C(F)(F)F ZINC000043377326 175029948 /nfs/dbraw/zinc/02/99/48/175029948.db2.gz XZVHULMRGDYIAT-MNOVXSKESA-N 1 0 261.291 2.182 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](N(C)Cc1ccco1)C(F)(F)F ZINC000043377210 175029979 /nfs/dbraw/zinc/02/99/79/175029979.db2.gz QXMJYWPYZJPFFA-NXEZZACHSA-N 1 0 250.264 2.380 10 0 CEAERO CC[C@@H]([NH3+])[C@H](N(C)CCc1ccncc1)C(F)(F)F ZINC000043377892 175030405 /nfs/dbraw/zinc/03/04/05/175030405.db2.gz SZFFXIHEAZRRRW-NEPJUHHUSA-N 1 0 275.318 2.224 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](N(C)CCc1ccncc1)C(F)(F)F ZINC000043377896 175030534 /nfs/dbraw/zinc/03/05/34/175030534.db2.gz SZFFXIHEAZRRRW-VXGBXAGGSA-N 1 0 275.318 2.224 10 0 CEAERO CCCO[C@@H]1CCCN([C@@H]([C@@H](C)[NH3+])C(F)(F)F)C1 ZINC000043378795 175030964 /nfs/dbraw/zinc/03/09/64/175030964.db2.gz ZGWRXTYKPZFUCM-MXWKQRLJSA-N 1 0 268.323 2.156 10 0 CEAERO CC(=O)Nc1ccccc1O[C@@H]([C@@H](C)[NH3+])C(F)(F)F ZINC000043384020 175031162 /nfs/dbraw/zinc/03/11/62/175031162.db2.gz SKBNNQWWRHUOAV-HQJQHLMTSA-N 1 0 276.258 2.302 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](n1cc(Br)cn1)C(F)(F)F ZINC000043383093 175031178 /nfs/dbraw/zinc/03/11/78/175031178.db2.gz OZSQGNNEWDUVHM-RNFRBKRXSA-N 1 0 286.095 2.486 10 0 CEAERO CCCCOCCO[C@@H]([C@@H]([NH3+])CC)C(F)(F)F ZINC000043384726 175031564 /nfs/dbraw/zinc/03/15/64/175031564.db2.gz VFRQIHHLPSZPMQ-UWVGGRQHSA-N 1 0 257.296 2.488 10 0 CEAERO C[C@@H]([NH3+])[C@H](Oc1ccc2c(c1)OCO2)C(F)(F)F ZINC000043384527 175031667 /nfs/dbraw/zinc/03/16/67/175031667.db2.gz FVKGMDHXHJKWEL-LDWIPMOCSA-N 1 0 263.215 2.072 10 0 CEAERO C[C@H]([NH3+])[C@H](Sc1nnc2n1CCCCC2)C(F)(F)F ZINC000043385759 175031974 /nfs/dbraw/zinc/03/19/74/175031974.db2.gz NKJOHQXVKNOPHK-CBAPKCEASA-N 1 0 294.346 2.375 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1nncs1)C(F)(F)F ZINC000043385919 175032025 /nfs/dbraw/zinc/03/20/25/175032025.db2.gz FFXNNPIXZVYDMC-RFZPGFLSSA-N 1 0 257.306 2.298 10 0 CEAERO COc1ccc(CN(C)c2nc(C)ccc2C[NH3+])cc1 ZINC000043395809 175035823 /nfs/dbraw/zinc/03/58/23/175035823.db2.gz GBLVBXHURPUAEI-UHFFFAOYSA-N 1 0 271.364 2.494 10 0 CEAERO CCN(CC(F)(F)F)c1nc2c(cc1C(N)=[NH2+])CCC2 ZINC000043406819 175037243 /nfs/dbraw/zinc/03/72/43/175037243.db2.gz OEUPXGWRJBWESD-UHFFFAOYSA-N 1 0 286.301 2.243 10 0 CEAERO C[NH2+]CCC(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000043604228 175078097 /nfs/dbraw/zinc/07/80/97/175078097.db2.gz XJUYQZIGUYGFGC-VIFPVBQESA-N 1 0 274.286 2.492 10 0 CEAERO CC[NH2+][C@@H](CN(C)C(C)C)c1ccc2c(c1)OCO2 ZINC000043813392 175111211 /nfs/dbraw/zinc/11/12/11/175111211.db2.gz HNABWCWVILLWNZ-ZDUSSCGKSA-N 1 0 264.369 2.406 10 0 CEAERO C[NH2+][C@@H](CN1CCCCC1)c1ccc(OC)cc1OC ZINC000043813879 175111664 /nfs/dbraw/zinc/11/16/64/175111664.db2.gz KWOKUZIAMPWUHP-HNNXBMFYSA-N 1 0 278.396 2.450 10 0 CEAERO C[NH2+][C@@H]1CCC2(C[C@H]1N1CCCCCCC1)OCCO2 ZINC000043819098 175113725 /nfs/dbraw/zinc/11/37/25/175113725.db2.gz SHVIBJNRFAVOOP-HUUCEWRRSA-N 1 0 282.428 2.136 10 0 CEAERO CCC[NH2+][C@@H]1CCC2(C[C@@H]1N(C)[C@@H](C)CC)OCCO2 ZINC000043887770 175117900 /nfs/dbraw/zinc/11/79/00/175117900.db2.gz XSWPFCQTSMKOLD-ZNMIVQPWSA-N 1 0 284.444 2.381 10 0 CEAERO C[NH2+][C@H]1c2ccccc2C[C@@H]1N(C)Cc1ccncc1 ZINC000043893860 175118580 /nfs/dbraw/zinc/11/85/80/175118580.db2.gz LYRHSQYBVAQPNE-IRXDYDNUSA-N 1 0 267.376 2.399 10 0 CEAERO CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N1CCOC[C@@H]1C ZINC000043891734 175118683 /nfs/dbraw/zinc/11/86/83/175118683.db2.gz MYJGKAJWRQGQSL-QPSCCSFWSA-N 1 0 254.418 2.264 10 0 CEAERO CC[NH2+][C@@H]1CCOC[C@@H]1N(C)Cc1ccccc1F ZINC000043910760 175123221 /nfs/dbraw/zinc/12/32/21/175123221.db2.gz WTUXOHDTDGKMTO-CABCVRRESA-N 1 0 266.360 2.025 10 0 CEAERO C[NH2+][C@@H](CN1CC[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000043908165 175123382 /nfs/dbraw/zinc/12/33/82/175123382.db2.gz UJTDAAUVBKEECB-OCCSQVGLSA-N 1 0 276.380 2.060 10 0 CEAERO CC[NH2+][C@H]1c2ccc(OC)cc2CC[C@H]1N(C)CCOC ZINC000043916100 175124814 /nfs/dbraw/zinc/12/48/14/175124814.db2.gz VOUIYVPCSTUJKY-SJORKVTESA-N 1 0 292.423 2.239 10 0 CEAERO C[NH2+][C@H](c1ccc(OC)cc1)[C@H](C)N1CCOCC1(C)C ZINC000043916763 175125467 /nfs/dbraw/zinc/12/54/67/175125467.db2.gz OSBXFEITKYEIBH-BBRMVZONSA-N 1 0 292.423 2.455 10 0 CEAERO C[NH2+][C@H]1CCCCCC[C@H]1N1CCOCC1(C)C ZINC000043916649 175125719 /nfs/dbraw/zinc/12/57/19/175125719.db2.gz RVKLUIUZTLOEMU-UONOGXRCSA-N 1 0 254.418 2.408 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2C[C@@H]1N(C)C[C@@H]1CCCO1 ZINC000043966099 175126998 /nfs/dbraw/zinc/12/69/98/175126998.db2.gz ZCTXKHNODDQSIC-XIRDDKMYSA-N 1 0 274.408 2.373 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2C[C@H]1N(C)C[C@@H]1CCCO1 ZINC000043966103 175127142 /nfs/dbraw/zinc/12/71/42/175127142.db2.gz ZCTXKHNODDQSIC-UAGQMJEPSA-N 1 0 274.408 2.373 10 0 CEAERO C[NH2+][C@H](c1ccc(OC)cc1)[C@@H](C)N(C)C[C@@H]1CCCO1 ZINC000043965891 175127405 /nfs/dbraw/zinc/12/74/05/175127405.db2.gz LZKGFCTUWIQTGC-COXVUDFISA-N 1 0 292.423 2.455 10 0 CEAERO CCC[NH2+][C@@H](CC)[C@@H](C)N(C)Cc1cnn(C)c1 ZINC000043967313 175128305 /nfs/dbraw/zinc/12/83/05/175128305.db2.gz WITFYBVLCXRRQI-OCCSQVGLSA-N 1 0 252.406 2.019 10 0 CEAERO C[NH2+][C@H]1CCC2(C[C@H]1N(C)CC1CCCCC1)OCCO2 ZINC000043968234 175129403 /nfs/dbraw/zinc/12/94/03/175129403.db2.gz UPQXOEHFRHKSDH-JKSUJKDBSA-N 1 0 296.455 2.382 10 0 CEAERO C[NH2+][C@@H](CN(C)[C@@H](C)COC)c1cc(C)ccc1OC ZINC000043969110 175130496 /nfs/dbraw/zinc/13/04/96/175130496.db2.gz WZKJCPTUYLFJIS-ZFWWWQNUSA-N 1 0 280.412 2.231 10 0 CEAERO CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N(CCOC)C1CC1 ZINC000043969886 175131168 /nfs/dbraw/zinc/13/11/68/175131168.db2.gz AZTOKYNMIONGAP-SNPRPXQTSA-N 1 0 254.418 2.264 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2CC[C@H]1N(CCOC)C1CC1 ZINC000043969816 175131258 /nfs/dbraw/zinc/13/12/58/175131258.db2.gz UPYJAAYHJPVEHG-IAGOWNOFSA-N 1 0 274.408 2.373 10 0 CEAERO COc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC000044117821 175142166 /nfs/dbraw/zinc/14/21/66/175142166.db2.gz LQUOMQNHPKFGQH-OCCSQVGLSA-N 1 0 279.380 2.469 10 0 CEAERO COc1cc(CN2CCCC[C@@H]2C[NH3+])cc(OC)c1OC ZINC000044539883 175200764 /nfs/dbraw/zinc/20/07/64/175200764.db2.gz BUVJJQUSBBRWNQ-CYBMUJFWSA-N 1 0 294.395 2.026 10 0 CEAERO C[NH2+][C@H]1CCCc2cc(O[C@H](C)C(=O)NC3CC3)ccc21 ZINC000044745310 175241523 /nfs/dbraw/zinc/24/15/23/175241523.db2.gz ICYMUSNZNFWRAD-BZNIZROVSA-N 1 0 288.391 2.329 10 0 CEAERO C[NH2+][C@@H]1CCCc2cc(OCc3ncon3)ccc21 ZINC000044745119 175241680 /nfs/dbraw/zinc/24/16/80/175241680.db2.gz PEVVJXQQFPFBRS-CYBMUJFWSA-N 1 0 259.309 2.245 10 0 CEAERO CC(C)CNC(=O)COc1ccc2c(c1)CCC[C@H]2[NH3+] ZINC000044745004 175241747 /nfs/dbraw/zinc/24/17/47/175241747.db2.gz PVPLFGCPHHRJMW-OAHLLOKOSA-N 1 0 276.380 2.174 10 0 CEAERO C[C@H](CN1CCOCC1)[NH2+][C@H]1CCCc2cc(O)ccc21 ZINC000044747135 175242817 /nfs/dbraw/zinc/24/28/17/175242817.db2.gz CFDSUXBISFIDTB-DYVFJYSZSA-N 1 0 290.407 2.080 10 0 CEAERO Cc1cc(N)ccc1C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000044749069 175244383 /nfs/dbraw/zinc/24/43/83/175244383.db2.gz MYDUDORIKWSCOU-ZDUSSCGKSA-N 1 0 275.396 2.181 10 0 CEAERO CN(CCc1ccncc1)C(=O)C1(C[NH3+])CCCCCC1 ZINC000044763061 175247091 /nfs/dbraw/zinc/24/70/91/175247091.db2.gz WIBFNKXAYTWMEL-UHFFFAOYSA-N 1 0 289.423 2.382 10 0 CEAERO CCN(Cc1ccco1)C(=O)C(CC)(CC)C[NH3+] ZINC000044763273 175247201 /nfs/dbraw/zinc/24/72/01/175247201.db2.gz HQXJZZXDVZPBMP-UHFFFAOYSA-N 1 0 252.358 2.393 10 0 CEAERO C[C@@H](CC[NH+](C)C)NC(=O)C1(C(N)=S)CCCCCC1 ZINC000044780782 175252981 /nfs/dbraw/zinc/25/29/81/175252981.db2.gz XJFWLGVVIYBQPV-LBPRGKRZSA-N 1 0 299.484 2.070 10 0 CEAERO CCCN(CC(F)(F)F)C(=O)[C@H](C[NH3+])C(C)C ZINC000044808179 175257101 /nfs/dbraw/zinc/25/71/01/175257101.db2.gz MUBFAZBLSZHKOT-SECBINFHSA-N 1 0 254.296 2.018 10 0 CEAERO Cc1cc([C@@H](C)NC(=O)[C@H](C[NH3+])C(C)C)c(C)o1 ZINC000044808557 175257547 /nfs/dbraw/zinc/25/75/47/175257547.db2.gz ZTZGWMMJUXXZRB-ZWNOBZJWSA-N 1 0 252.358 2.305 10 0 CEAERO CCCC[C@H](CC)C[NH2+][C@]1(C)CCS(=O)(=O)C1 ZINC000044929927 175280250 /nfs/dbraw/zinc/28/02/50/175280250.db2.gz MTUWWHVHSZWOMM-QWHCGFSZSA-N 1 0 261.431 2.370 10 0 CEAERO CC[C@H](C)NC(=O)CCn1c(N)[nH+]c2cc(C)ccc21 ZINC000045005593 175288105 /nfs/dbraw/zinc/28/81/05/175288105.db2.gz UUGWKOPXGFOKBI-NSHDSACASA-N 1 0 274.368 2.232 10 0 CEAERO CC[C@@H](C)NC(=O)CCNC1=[NH+][C@H](CC(C)C)CS1 ZINC000045005984 175288145 /nfs/dbraw/zinc/28/81/45/175288145.db2.gz WLJMUHOWOUUMCK-VXGBXAGGSA-N 1 0 285.457 2.398 10 0 CEAERO CC(C)OCCOC[C@@H](O)C[NH2+]C1(C)CCCCC1 ZINC000045045359 175296004 /nfs/dbraw/zinc/29/60/04/175296004.db2.gz CUDMYADOZXAWPR-AWEZNQCLSA-N 1 0 273.417 2.101 10 0 CEAERO C[NH2+][C@H]1CCOC[C@@H]1n1ccnc1-c1cccs1 ZINC000045048123 175297131 /nfs/dbraw/zinc/29/71/31/175297131.db2.gz NDGFDELBEWKFLQ-QWRGUYRKSA-N 1 0 263.366 2.161 10 0 CEAERO C[N@H+](CC(N)=S)Cc1ccc(Br)cc1F ZINC000045062851 175298943 /nfs/dbraw/zinc/29/89/43/175298943.db2.gz CPBGLHMPDHSTOQ-UHFFFAOYSA-N 1 0 291.189 2.306 10 0 CEAERO CC1(C)C[C@H]1[NH2+]CC(=O)N1CCc2sccc2C1 ZINC000045119469 175312191 /nfs/dbraw/zinc/31/21/91/175312191.db2.gz MUTPIUPUUIQSOP-GFCCVEGCSA-N 1 0 264.394 2.021 10 0 CEAERO Cc1nc(CNC[C@@H]2CC[N@@H+](C(C)C)C2)oc1C ZINC000045135210 175312348 /nfs/dbraw/zinc/31/23/48/175312348.db2.gz ZLQRLUKJZOHNJJ-ZDUSSCGKSA-N 1 0 251.374 2.111 10 0 CEAERO CC(C)[N@@H+]1CC[C@@H](CNCc2nccn2C(F)F)C1 ZINC000045135127 175312689 /nfs/dbraw/zinc/31/26/89/175312689.db2.gz IVBNUTGENZLYDU-NSHDSACASA-N 1 0 272.343 2.098 10 0 CEAERO CC[NH2+][C@@H](C)c1cccc(S(=O)(=O)N[C@H]2CC2(C)C)c1 ZINC000045138154 175314864 /nfs/dbraw/zinc/31/48/64/175314864.db2.gz OOXLYFUQYPMFPF-FZMZJTMJSA-N 1 0 296.436 2.434 10 0 CEAERO Cc1nn(C)c(C)c1[C@H](C)[NH2+][C@H]1CCCc2c1cnn2C ZINC000045170832 175320584 /nfs/dbraw/zinc/32/05/84/175320584.db2.gz HGUVGTUFWFTIEE-HZMBPMFUSA-N 1 0 287.411 2.499 10 0 CEAERO CCOC(=O)[C@](C)(CC[N@@H+]1CCC[C@@H]1C)NC(C)C ZINC000045221797 175330539 /nfs/dbraw/zinc/33/05/39/175330539.db2.gz JZVPSPYHWZJSBP-ZFWWWQNUSA-N 1 0 270.417 2.181 10 0 CEAERO CCCC[N@H+](C)C[C@@](C)(NCCC)C(=O)OCC ZINC000045222072 175330930 /nfs/dbraw/zinc/33/09/30/175330930.db2.gz FWSMZEOUXFNVCI-CQSZACIVSA-N 1 0 258.406 2.040 10 0 CEAERO CCCC[N@H+](CC)C[C@@](C)(NC(C)C)C(=O)OC ZINC000045223313 175331140 /nfs/dbraw/zinc/33/11/40/175331140.db2.gz OKQBYWKWQXBZSW-CQSZACIVSA-N 1 0 258.406 2.038 10 0 CEAERO CCCC[N@H+](CC)C[C@](NC)(C(=O)OC)c1ccccc1 ZINC000045223217 175331416 /nfs/dbraw/zinc/33/14/16/175331416.db2.gz VAJFIXYMWVYGJP-QGZVFWFLSA-N 1 0 292.423 2.396 10 0 CEAERO CCOC(=O)[C@](C)(C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(C)C ZINC000045224542 175332602 /nfs/dbraw/zinc/33/26/02/175332602.db2.gz ONZAFVLGKPZDNV-LZWOXQAQSA-N 1 0 284.444 2.284 10 0 CEAERO CCN[C@@](C)(CC[NH+]1CCC(C)CC1)C(=O)OCC ZINC000045225546 175333047 /nfs/dbraw/zinc/33/30/47/175333047.db2.gz KPFPFADFSZTQSG-HNNXBMFYSA-N 1 0 270.417 2.040 10 0 CEAERO CC[NH+](CC)C[C@@](NC(C)C)(C(=O)OC)c1ccccc1 ZINC000045226520 175333363 /nfs/dbraw/zinc/33/33/63/175333363.db2.gz BHTPTOOHZXZDIK-KRWDZBQOSA-N 1 0 292.423 2.395 10 0 CEAERO CCCN[C@](C)(CC[NH+](CC)CC)C(=O)OCC ZINC000045226785 175333517 /nfs/dbraw/zinc/33/35/17/175333517.db2.gz XLXAMJJNORXXOD-CQSZACIVSA-N 1 0 258.406 2.040 10 0 CEAERO COC(=O)[C@](C)(CC[N@H+](C)C1CCCCC1)NC1CC1 ZINC000045231338 175334560 /nfs/dbraw/zinc/33/45/60/175334560.db2.gz YUWRIAMBHMRKDA-INIZCTEOSA-N 1 0 282.428 2.325 10 0 CEAERO COC(=O)[C@](C)(C[N@H+](C)C1CCCCC1)NC(C)C ZINC000045231176 175334905 /nfs/dbraw/zinc/33/49/05/175334905.db2.gz WFDZTVPZYBUQCX-HNNXBMFYSA-N 1 0 270.417 2.181 10 0 CEAERO CCCC[NH+](CCCC)C[C@](C)(NC)C(=O)OCC ZINC000045232695 175336009 /nfs/dbraw/zinc/33/60/09/175336009.db2.gz JOTYQKQZRQGFLH-HNNXBMFYSA-N 1 0 272.433 2.430 10 0 CEAERO CCCN[C@](C)(CC[N@H+](C)CC(C)C)C(=O)OCC ZINC000045263693 175337936 /nfs/dbraw/zinc/33/79/36/175337936.db2.gz LZQHXGDJWRLCDO-OAHLLOKOSA-N 1 0 272.433 2.286 10 0 CEAERO CCOC(=O)[C@](C[N@H+](C)CC)(NC1CC1)c1ccccc1 ZINC000045264649 175338515 /nfs/dbraw/zinc/33/85/15/175338515.db2.gz AWCXNZWDNFUHIP-QGZVFWFLSA-N 1 0 290.407 2.149 10 0 CEAERO CCC[NH2+][C@@](C)(CC[N@H+](C)C[C@@H](C)CC)C(=O)[O-] ZINC000045268425 175340490 /nfs/dbraw/zinc/34/04/90/175340490.db2.gz VVHJDTKTOBPDPA-JSGCOSHPSA-N 1 0 258.406 2.197 10 0 CEAERO CCOC(=O)[C@](C)(C[N@H+](C)[C@@H](C)C(C)C)NC(C)C ZINC000045269877 175341622 /nfs/dbraw/zinc/34/16/22/175341622.db2.gz SICKEYQDJOMSFD-ZFWWWQNUSA-N 1 0 272.433 2.283 10 0 CEAERO CCN[C@](C)(CC[N@H+](C)[C@@H](C)C(C)C)C(=O)OCC ZINC000045269943 175341659 /nfs/dbraw/zinc/34/16/59/175341659.db2.gz TZWJFYHINCZAJA-DZGCQCFKSA-N 1 0 272.433 2.284 10 0 CEAERO CCOC(=O)[C@](C)(C[N@H+](C)[C@@H](C)C1CC1)NC(C)C ZINC000045270277 175341667 /nfs/dbraw/zinc/34/16/67/175341667.db2.gz GUYAHRFHNLVLLF-WFASDCNBSA-N 1 0 270.417 2.037 10 0 CEAERO CCOC(=O)[C@](C)(CC[N@H+](C)C(CC)CC)NC ZINC000045269717 175341801 /nfs/dbraw/zinc/34/18/01/175341801.db2.gz CLUAMWINMHKVKH-AWEZNQCLSA-N 1 0 258.406 2.038 10 0 CEAERO CC(C)N[C@@](C)(CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(N)=O ZINC000045272166 175343128 /nfs/dbraw/zinc/34/31/28/175343128.db2.gz PLQIIMZVMKODMZ-UXLLHSPISA-N 1 0 295.471 2.131 10 0 CEAERO CCOC(=O)[C@](C[N@H+](C)CC1CC1)(NC)c1ccccc1 ZINC000045272911 175343964 /nfs/dbraw/zinc/34/39/64/175343964.db2.gz ODVNFUKPTMQUFA-QGZVFWFLSA-N 1 0 290.407 2.006 10 0 CEAERO CCC(CC)C[N@H+](CC)CC[C@](C)(NC(C)C)C(N)=O ZINC000045277859 175348041 /nfs/dbraw/zinc/34/80/41/175348041.db2.gz ALEIUTNRVHNKDS-INIZCTEOSA-N 1 0 285.476 2.377 10 0 CEAERO COC(=O)[C@@](C)(CC[N@H+](CC(C)C)C(C)C)NC1CC1 ZINC000045280791 175350853 /nfs/dbraw/zinc/35/08/53/175350853.db2.gz AOGHSACJGVGNDL-MRXNPFEDSA-N 1 0 284.444 2.427 10 0 CEAERO CCN[C@@](C)(C[N@H+](CC(C)C)C(C)C)C(=O)OCC ZINC000045280690 175351083 /nfs/dbraw/zinc/35/10/83/175351083.db2.gz BNOCBNCVKPAELR-HNNXBMFYSA-N 1 0 272.433 2.284 10 0 CEAERO COC(=O)[C@](N)(C[N@H+](CC1CC1)C(C)C)c1ccccc1 ZINC000045280927 175351287 /nfs/dbraw/zinc/35/12/87/175351287.db2.gz KAALASOPXBHUPO-KRWDZBQOSA-N 1 0 290.407 2.134 10 0 CEAERO CCOC(=O)[C@](C)(C[N@H+](C)CC1CCCCC1)NC ZINC000045281549 175352477 /nfs/dbraw/zinc/35/24/77/175352477.db2.gz BMTXEORPRXYGAN-HNNXBMFYSA-N 1 0 270.417 2.040 10 0 CEAERO CCOC(=O)[C@](C)(CC[N@H+](C)CC1CCCCC1)NC ZINC000045281647 175352649 /nfs/dbraw/zinc/35/26/49/175352649.db2.gz POKGRKSKPMIVIH-INIZCTEOSA-N 1 0 284.444 2.430 10 0 CEAERO CCN[C@](C)(CCC[N@@H+]1CCC[C@@H]1C)C(=O)OCC ZINC000045367928 175363006 /nfs/dbraw/zinc/36/30/06/175363006.db2.gz OZKWUKFUELNNIT-DZGCQCFKSA-N 1 0 270.417 2.182 10 0 CEAERO CCCC[N@H+](C)CCC[C@](C)(NCCC)C(=O)OC ZINC000045368380 175363673 /nfs/dbraw/zinc/36/36/73/175363673.db2.gz ULNSQZUECALPEF-HNNXBMFYSA-N 1 0 272.433 2.430 10 0 CEAERO COC(=O)[C@@H](N)C[NH+](C1CCCCC1)C1CCCCC1 ZINC000045369213 175363732 /nfs/dbraw/zinc/36/37/32/175363732.db2.gz BMPGNGSZGTYGGT-HNNXBMFYSA-N 1 0 282.428 2.454 10 0 CEAERO CCOC(=O)[C@@](C)(CCC[NH+](CC)CC)NC(C)C ZINC000045375945 175366280 /nfs/dbraw/zinc/36/62/80/175366280.db2.gz YMHKVLYRVBMOLS-OAHLLOKOSA-N 1 0 272.433 2.428 10 0 CEAERO CCN[C@](C)(CCC[NH+]1CCCCC1)C(=O)OCC ZINC000045378343 175367553 /nfs/dbraw/zinc/36/75/53/175367553.db2.gz AINUZQZJLMNAQR-OAHLLOKOSA-N 1 0 270.417 2.184 10 0 CEAERO CCCN[C@](C)(CCC[N@H+](C)C(C)C)C(=O)OCC ZINC000045378081 175367724 /nfs/dbraw/zinc/36/77/24/175367724.db2.gz MZUNZNXWGRPIMJ-OAHLLOKOSA-N 1 0 272.433 2.428 10 0 CEAERO CC[NH2+][C@@](C)(CCC[N@H+](CC)CC(C)C)C(=O)[O-] ZINC000045381758 175370383 /nfs/dbraw/zinc/37/03/83/175370383.db2.gz VZSDFEVGOFPLLQ-AWEZNQCLSA-N 1 0 258.406 2.197 10 0 CEAERO CCC[N@H+](C)CCCC[C@@](C)(NCC)C(=O)OCC ZINC000045382181 175370524 /nfs/dbraw/zinc/37/05/24/175370524.db2.gz CAVWZEPLIKOUQN-OAHLLOKOSA-N 1 0 272.433 2.430 10 0 CEAERO CCCN[C@@](C)(CCC[N@H+](C)CC)C(=O)OCC ZINC000045382888 175371223 /nfs/dbraw/zinc/37/12/23/175371223.db2.gz YHSJOUQHNHXWMG-AWEZNQCLSA-N 1 0 258.406 2.040 10 0 CEAERO CCC[N@H+](CCC[C@@](C)(NC)C(=O)OCC)C(C)C ZINC000045385996 175371784 /nfs/dbraw/zinc/37/17/84/175371784.db2.gz UTRPXNNWVRGDMV-OAHLLOKOSA-N 1 0 272.433 2.428 10 0 CEAERO C[N@H+](CCC[C@@](C)([NH2+]C1CC1)C(=O)[O-])C1CCCC1 ZINC000045384798 175371965 /nfs/dbraw/zinc/37/19/65/175371965.db2.gz MXAVJLWQERQPGF-OAHLLOKOSA-N 1 0 268.401 2.236 10 0 CEAERO CCC[N@H+](CC)CCC[C@@](C)(NCC)C(=O)OC ZINC000045387078 175372971 /nfs/dbraw/zinc/37/29/71/175372971.db2.gz FVSLQRZYGRNTGY-CQSZACIVSA-N 1 0 258.406 2.040 10 0 CEAERO CCN[C@H](C[NH+](CC(C)C)CC(C)C)C(=O)OCC ZINC000045420364 175378843 /nfs/dbraw/zinc/37/88/43/175378843.db2.gz WONGKNWVIKHWKW-CQSZACIVSA-N 1 0 272.433 2.142 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+][C@@H](C)C2(CO)CC2)c1C ZINC000658160862 415239710 /nfs/dbraw/zinc/23/97/10/415239710.db2.gz PRERUGCTZIXJHX-MFKMUULPSA-N 1 0 265.401 2.331 10 0 CEAERO CN1C[C@H](C[NH2+][C@@H]2CCCC23CCCC3)CC1=O ZINC000658239116 415271367 /nfs/dbraw/zinc/27/13/67/415271367.db2.gz BAYRXEPGOLWCHM-QWHCGFSZSA-N 1 0 250.386 2.167 10 0 CEAERO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)C1CCC(F)(F)CC1 ZINC000658238474 415272401 /nfs/dbraw/zinc/27/24/01/415272401.db2.gz HHNZAUZKWMPGMD-GHMZBOCLSA-N 1 0 274.355 2.268 10 0 CEAERO CCC[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)[C@H]1CC1(C)C ZINC000658240741 415273193 /nfs/dbraw/zinc/27/31/93/415273193.db2.gz JFSFMMPDHGEIRY-XQQFMLRXSA-N 1 0 252.402 2.269 10 0 CEAERO C[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000658245332 415279953 /nfs/dbraw/zinc/27/99/53/415279953.db2.gz RJOVNAOWEYAJRC-HIFRSBDPSA-N 1 0 260.381 2.076 10 0 CEAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(C)C2)s1 ZINC000658246075 415281507 /nfs/dbraw/zinc/28/15/07/415281507.db2.gz XABPHUDYFCDGCE-MNOVXSKESA-N 1 0 252.383 2.185 10 0 CEAERO C[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1nccn1C)c1ccncc1 ZINC000658276181 415293972 /nfs/dbraw/zinc/29/39/72/415293972.db2.gz GXUFSYSZOWNUAI-VHDGCEQUSA-N 1 0 286.379 2.244 10 0 CEAERO CC[C@@]1(C(=O)NC23CC4CC(CC(C4)C2)C3)CC[NH2+]C1 ZINC000062887800 175676566 /nfs/dbraw/zinc/67/65/66/175676566.db2.gz LOZPXHBGGZCPAO-QUZGTJOHSA-N 1 0 276.424 2.461 10 0 CEAERO CN(C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CCC[NH2+]CC1 ZINC000659302592 415500747 /nfs/dbraw/zinc/50/07/47/415500747.db2.gz AKALUCWKFQOXLM-RQJABVFESA-N 1 0 250.386 2.023 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC4(CC4)C3)C[C@@H]12 ZINC000659301866 415500754 /nfs/dbraw/zinc/50/07/54/415500754.db2.gz FIIQHYHNJFHAGA-AAVRWANBSA-N 1 0 262.397 2.153 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3CCCC4(CC4)C3)C[C@H]12 ZINC000659301868 415500797 /nfs/dbraw/zinc/50/07/97/415500797.db2.gz FIIQHYHNJFHAGA-RFQIPJPRSA-N 1 0 262.397 2.153 10 0 CEAERO Nc1cc[nH+]cc1C[C@H](O)c1cc(F)c(F)c(F)c1 ZINC000070400337 175910573 /nfs/dbraw/zinc/91/05/73/175910573.db2.gz KIDKGSBYJJCYQN-LBPRGKRZSA-N 1 0 268.238 2.357 10 0 CEAERO COc1ccc(C[C@@H]([NH3+])c2cc(C)cnc2N)cc1 ZINC000070404716 175912649 /nfs/dbraw/zinc/91/26/49/175912649.db2.gz ILLQFKNJWHHMHJ-CQSZACIVSA-N 1 0 257.337 2.223 10 0 CEAERO CC[NH2+][C@@H](C)Cc1nc(-c2ccc3nccnc3c2)no1 ZINC000070432484 175927420 /nfs/dbraw/zinc/92/74/20/175927420.db2.gz BVOYDMHGZCIUPU-JTQLQIEISA-N 1 0 283.335 2.220 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1ccco1)n1cc(C(F)(F)F)cn1 ZINC000070466081 175946435 /nfs/dbraw/zinc/94/64/35/175946435.db2.gz LFBZXHYNJJDASG-XVKPBYJWSA-N 1 0 259.231 2.432 10 0 CEAERO [NH3+]C[C@@H]1CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000070493229 175956106 /nfs/dbraw/zinc/95/61/06/175956106.db2.gz JHBOIJQIRFDZOC-JTQLQIEISA-N 1 0 272.270 2.013 10 0 CEAERO C[NH2+]C[C@H](C)COc1c(OC)cc(C)cc1OC ZINC000070512006 175961239 /nfs/dbraw/zinc/96/12/39/175961239.db2.gz FYDCRGIGOIFHKC-NSHDSACASA-N 1 0 253.342 2.247 10 0 CEAERO CC[NH2+][C@@](CO)(CN(CC)c1cccc(F)c1)C1CC1 ZINC000070514112 175963195 /nfs/dbraw/zinc/96/31/95/175963195.db2.gz MTUFTGAZRFSOIG-MRXNPFEDSA-N 1 0 280.387 2.403 10 0 CEAERO C[NH2+][C@](C)(CO)CCCCOc1cc(OC)cc(OC)c1 ZINC000070516974 175965566 /nfs/dbraw/zinc/96/55/66/175965566.db2.gz AZJFFZLWZVWWOS-INIZCTEOSA-N 1 0 297.395 2.223 10 0 CEAERO C[C@@H]1CCC[C@H](CC[NH2+]CCN2CCOCC2)C1 ZINC000070538977 175976236 /nfs/dbraw/zinc/97/62/36/175976236.db2.gz VZNALOAGDPDKEX-HUUCEWRRSA-N 1 0 254.418 2.125 10 0 CEAERO COC(=O)c1cccc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)c1C ZINC000070575022 175990274 /nfs/dbraw/zinc/99/02/74/175990274.db2.gz FVYYOERTCMTAGT-RYUDHWBXSA-N 1 0 290.363 2.238 10 0 CEAERO [NH3+][C@H]1CCC[C@H](C(=O)Nc2cccc3n[nH]cc32)C1 ZINC000070575818 175991352 /nfs/dbraw/zinc/99/13/52/175991352.db2.gz WQJLTQJOCCPGTG-UWVGGRQHSA-N 1 0 258.325 2.019 10 0 CEAERO CC1CC(C(=O)N2CC[NH2+]C3(CCCCC3)C2)C1 ZINC000656364923 415681455 /nfs/dbraw/zinc/68/14/55/415681455.db2.gz ZKBKXGONLVPOKK-UHFFFAOYSA-N 1 0 250.386 2.167 10 0 CEAERO CCOC(=O)c1ccsc1NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000070577615 175992955 /nfs/dbraw/zinc/99/29/55/175992955.db2.gz JNOVAXJOKZRVAG-VHSXEESVSA-N 1 0 296.392 2.381 10 0 CEAERO COc1ccc([C@@H]2OCC[C@@H]2C[NH3+])cc1Br ZINC000070673965 176000455 /nfs/dbraw/zinc/00/04/55/176000455.db2.gz OPAVQOKAKGMBPO-SKDRFNHKSA-N 1 0 286.169 2.494 10 0 CEAERO [NH3+][C@@H]1CCC(=O)N[C@H]1c1c(Cl)cccc1Cl ZINC000070824356 176007480 /nfs/dbraw/zinc/00/74/80/176007480.db2.gz PPTMLZBXMLQHEM-LDYMZIIASA-N 1 0 259.136 2.272 10 0 CEAERO CCN(Cc1ccc(Br)o1)[C@H]1CC[NH2+]C1 ZINC000070897995 176010671 /nfs/dbraw/zinc/01/06/71/176010671.db2.gz LVASJQQMXFHXGM-VIFPVBQESA-N 1 0 273.174 2.226 10 0 CEAERO Cn1ccnc1CC[NH2+]Cc1cccc2[nH]ccc21 ZINC000070941038 176014769 /nfs/dbraw/zinc/01/47/69/176014769.db2.gz PCSXNMKTGNJGRR-UHFFFAOYSA-N 1 0 254.337 2.234 10 0 CEAERO Cc1cccc(CC(=O)N(CC[NH3+])C2CCCC2)c1 ZINC000070943680 176016268 /nfs/dbraw/zinc/01/62/68/176016268.db2.gz YDWWWLDHZDCRIF-UHFFFAOYSA-N 1 0 260.381 2.267 10 0 CEAERO Cc1ccc([C@@H]2[C@H]([NH3+])CCC(=O)N2C2CC2)cc1F ZINC000070987210 176018628 /nfs/dbraw/zinc/01/86/28/176018628.db2.gz WDXFQOKJMABDKG-UKRRQHHQSA-N 1 0 262.328 2.287 10 0 CEAERO Cc1ccsc1[C@@H]1[C@@H]([NH3+])CCC(=O)N1C1CC1 ZINC000070987142 176018659 /nfs/dbraw/zinc/01/86/59/176018659.db2.gz CVTHJJQLGDCGAN-JQWIXIFHSA-N 1 0 250.367 2.210 10 0 CEAERO Cc1ccc([C@@H]2[C@@H]([NH3+])CCC(=O)N2C2CC2)cc1F ZINC000070987214 176018710 /nfs/dbraw/zinc/01/87/10/176018710.db2.gz WDXFQOKJMABDKG-DZGCQCFKSA-N 1 0 262.328 2.287 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000071032074 176023106 /nfs/dbraw/zinc/02/31/06/176023106.db2.gz XXCYZSYYKMHDRC-BXUZGUMPSA-N 1 0 264.344 2.486 10 0 CEAERO COC(=O)c1sccc1N1CCC[C@@H]([NH2+]C(C)C)C1=O ZINC000071032499 176023440 /nfs/dbraw/zinc/02/34/40/176023440.db2.gz PPRFSYDRXSXVOK-SNVBAGLBSA-N 1 0 296.392 2.028 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN(c2cc(F)cc(F)c2)C1=O ZINC000071033454 176023642 /nfs/dbraw/zinc/02/36/42/176023642.db2.gz JLUMNFMHRDPAES-GFCCVEGCSA-N 1 0 254.280 2.068 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1=O ZINC000071032920 176023679 /nfs/dbraw/zinc/02/36/79/176023679.db2.gz AUQHNEISUBPRNJ-LLVKDONJSA-N 1 0 254.280 2.068 10 0 CEAERO Cc1nc(C)c([C@@H](C)N2CC[C@@H]([NH2+]C(C)C)C2=O)s1 ZINC000071036201 176025153 /nfs/dbraw/zinc/02/51/53/176025153.db2.gz ZADBHTKPUTYPTA-ZYHUDNBSSA-N 1 0 281.425 2.420 10 0 CEAERO CC(C)CCOCCN1CCC[C@H]([NH2+]C(C)C)C1=O ZINC000071036719 176025858 /nfs/dbraw/zinc/02/58/58/176025858.db2.gz IFYDQHDSUDMGPV-AWEZNQCLSA-N 1 0 270.417 2.038 10 0 CEAERO CCC[NH2+][C@@H]1CCN(c2nc(C3CC3)cs2)C1=O ZINC000071036495 176026063 /nfs/dbraw/zinc/02/60/63/176026063.db2.gz HZAUPUBIHZYQAS-SNVBAGLBSA-N 1 0 265.382 2.125 10 0 CEAERO CC(C)[NH2+][C@@H]1CCCN(Cc2cccs2)C1=O ZINC000071039671 176027185 /nfs/dbraw/zinc/02/71/85/176027185.db2.gz QNRNYNMZSSAQQP-GFCCVEGCSA-N 1 0 252.383 2.237 10 0 CEAERO CCC[NH2+][C@@H]1CCCN(Cc2cccc(F)c2)C1=O ZINC000071039023 176027346 /nfs/dbraw/zinc/02/73/46/176027346.db2.gz PHIZOXVQCRUPJN-CQSZACIVSA-N 1 0 264.344 2.316 10 0 CEAERO CC(C)[NH2+][C@@H]1CCCN(CCc2cc(F)cc(F)c2)C1=O ZINC000071042451 176028702 /nfs/dbraw/zinc/02/87/02/176028702.db2.gz YFQGVCMWAZLFFN-OAHLLOKOSA-N 1 0 296.361 2.496 10 0 CEAERO C[C@@H](C1CCCC1)N1CCC[C@H]([NH2+]C2CC2)C1=O ZINC000071043958 176030002 /nfs/dbraw/zinc/03/00/02/176030002.db2.gz LFUYUOOJFSYHGW-FZMZJTMJSA-N 1 0 250.386 2.308 10 0 CEAERO c1ccc2c(c1)CCO[C@@H]2C[NH2+]CC[C@H]1CCCO1 ZINC000071090780 176031195 /nfs/dbraw/zinc/03/11/95/176031195.db2.gz IPFWHEVPVQEQDI-GDBMZVCRSA-N 1 0 261.365 2.459 10 0 CEAERO CC[C@H]1CCC[C@@H]([NH2+][C@@H]2CCCS(=O)(=O)C2)C1 ZINC000071122323 176034777 /nfs/dbraw/zinc/03/47/77/176034777.db2.gz QKHSHQUENNVSRK-YNEHKIRRSA-N 1 0 259.415 2.122 10 0 CEAERO CC[NH2+][C@H](CC1CC1)c1ccc2c(c1)C(=O)N(C)C(=O)C2 ZINC000071139486 176037827 /nfs/dbraw/zinc/03/78/27/176037827.db2.gz PLMRPABQTZRFFX-OAHLLOKOSA-N 1 0 286.375 2.292 10 0 CEAERO CCC[NH2+][C@H](CC)c1ccc2c(c1)C(=O)N(C)C(=O)C2 ZINC000071139510 176038131 /nfs/dbraw/zinc/03/81/31/176038131.db2.gz ZKZKPZKKRDNWQO-CQSZACIVSA-N 1 0 274.364 2.292 10 0 CEAERO CC[C@@H]1CCCC[C@]1(C[NH3+])N(C)Cc1cnn(C)c1 ZINC000071161852 176046113 /nfs/dbraw/zinc/04/61/13/176046113.db2.gz VMKXXHDUVCEEBP-HUUCEWRRSA-N 1 0 264.417 2.150 10 0 CEAERO CC[C@H]1CCCC[C@]1(C[NH3+])N1CCOCC1(C)C ZINC000071161813 176046514 /nfs/dbraw/zinc/04/65/14/176046514.db2.gz BUXHJWXUGOMJOS-DZGCQCFKSA-N 1 0 254.418 2.395 10 0 CEAERO CC1=C(C)C(=O)N([C@H]2CC[NH2+]C3(CCCCC3)C2)C1=O ZINC000071164307 176047026 /nfs/dbraw/zinc/04/70/26/176047026.db2.gz KNUFZJPVJLCAIV-ZDUSSCGKSA-N 1 0 276.380 2.147 10 0 CEAERO Fc1ccc(F)c(OCC[NH2+]C[C@@H]2CCCO2)c1 ZINC000071168960 176050130 /nfs/dbraw/zinc/05/01/30/176050130.db2.gz BGIOZNYLNXYYDB-NSHDSACASA-N 1 0 257.280 2.112 10 0 CEAERO COC(=O)CCC[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000071170248 176051088 /nfs/dbraw/zinc/05/10/88/176051088.db2.gz IUCINBPOVZNQIQ-UHFFFAOYSA-N 1 0 277.364 2.443 10 0 CEAERO CN(Cc1ccc(Cl)cc1)c1cnc(C[NH3+])cn1 ZINC000071177871 176055693 /nfs/dbraw/zinc/05/56/93/176055693.db2.gz LCSJEIKQJMQMFK-UHFFFAOYSA-N 1 0 262.744 2.225 10 0 CEAERO CC[NH2+][C@@H](C)c1cc(C)ccc1O[C@H]1CCN(C)C1=O ZINC000071182994 176058065 /nfs/dbraw/zinc/05/80/65/176058065.db2.gz DRFATIAQKVQTHL-WFASDCNBSA-N 1 0 276.380 2.275 10 0 CEAERO CC[NH2+][C@@H](C)CCc1ccc(O[C@@H]2CCN(C)C2=O)cc1 ZINC000071182928 176058259 /nfs/dbraw/zinc/05/82/59/176058259.db2.gz KPGVNMPHRRPCIB-XJKSGUPXSA-N 1 0 290.407 2.227 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(F)cc1O[C@@H]1CCN(C)C1=O ZINC000071183188 176058641 /nfs/dbraw/zinc/05/86/41/176058641.db2.gz FVPJFWCASNUUIZ-GXFFZTMASA-N 1 0 280.343 2.106 10 0 CEAERO C[C@@H](C(=O)c1ccc(F)cc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189781 176065217 /nfs/dbraw/zinc/06/52/17/176065217.db2.gz YFNOMSWPIKDINY-QWHCGFSZSA-N 1 0 278.371 2.280 10 0 CEAERO Cc1ccc([C@@H](O)CN(C)C[C@@H]2CC[N@H+](C)C2)cc1C ZINC000071190602 176066391 /nfs/dbraw/zinc/06/63/91/176066391.db2.gz PBAUUVNWGDOLFW-WBVHZDCISA-N 1 0 276.424 2.220 10 0 CEAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cc(Cl)ccc1O ZINC000071190637 176068457 /nfs/dbraw/zinc/06/84/57/176068457.db2.gz INTWYYIECBKCTM-JTQLQIEISA-N 1 0 282.771 2.069 10 0 CEAERO CCNc1ccccc1C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191852 176071588 /nfs/dbraw/zinc/07/15/88/176071588.db2.gz YXWJXDNUGNEWNO-CYBMUJFWSA-N 1 0 275.396 2.142 10 0 CEAERO CC(C)[NH2+][C@@H]1CCCN(Cc2ccc3c(c2)OCO3)C1 ZINC000071199689 176077142 /nfs/dbraw/zinc/07/71/42/176077142.db2.gz KWBGFNGXIKAWTO-CQSZACIVSA-N 1 0 276.380 2.378 10 0 CEAERO COc1ccccc1CN1CCC[C@@H]([NH2+]C2CC2)C1 ZINC000071198271 176077171 /nfs/dbraw/zinc/07/71/71/176077171.db2.gz AHAGHOGHQKQDOK-OAHLLOKOSA-N 1 0 260.381 2.412 10 0 CEAERO c1ccc2c(c1)C[C@H](CN1CCC[C@H]([NH2+]C3CC3)C1)O2 ZINC000071199364 176077201 /nfs/dbraw/zinc/07/72/01/176077201.db2.gz SZFXQHXJJPZDKU-JKSUJKDBSA-N 1 0 272.392 2.207 10 0 CEAERO CCC[NH2+][C@@H]1CCCN(c2cnn(C(C)C)c2)C1 ZINC000071199679 176077212 /nfs/dbraw/zinc/07/72/12/176077212.db2.gz MDOCJXHHROKTJZ-CYBMUJFWSA-N 1 0 250.390 2.432 10 0 CEAERO COc1ccc([C@@H]2C[NH2+][C@H](C)C2)c(OC)c1OC ZINC000071202230 176078110 /nfs/dbraw/zinc/07/81/10/176078110.db2.gz YFMDIMTUIWHGNC-ZJUUUORDSA-N 1 0 251.326 2.178 10 0 CEAERO C[C@@H]([NH3+])c1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2C)cc1 ZINC000071209864 176082213 /nfs/dbraw/zinc/08/22/13/176082213.db2.gz TYDFXUFQFFLDID-MISXGVKJSA-N 1 0 282.409 2.173 10 0 CEAERO CCC(CC)N(C)S(=O)(=O)c1ccc(F)c(C[NH3+])c1 ZINC000071240377 176094435 /nfs/dbraw/zinc/09/44/35/176094435.db2.gz SPABOJWBBBRMML-UHFFFAOYSA-N 1 0 288.388 2.094 10 0 CEAERO [NH3+]Cc1cc(F)ccc1COC[C@H]1CCCCO1 ZINC000071264177 176097629 /nfs/dbraw/zinc/09/76/29/176097629.db2.gz CGPRUBGPPIYHPE-CQSZACIVSA-N 1 0 253.317 2.370 10 0 CEAERO Cc1nc(SCc2ccc(F)cc2C[NH3+])n[nH]1 ZINC000071264538 176098018 /nfs/dbraw/zinc/09/80/18/176098018.db2.gz XGGPDUCIQSTXEG-UHFFFAOYSA-N 1 0 252.318 2.003 10 0 CEAERO C[N@@H+](Cc1ccc(F)cc1C(N)=S)CC1CC1 ZINC000071265865 176099145 /nfs/dbraw/zinc/09/91/45/176099145.db2.gz YMOGMCHCQAOVTB-UHFFFAOYSA-N 1 0 252.358 2.302 10 0 CEAERO CCCN1CC[NH+](CCCCCC(=O)OCC)CC1 ZINC000071292790 176111266 /nfs/dbraw/zinc/11/12/66/176111266.db2.gz NFOFRVMJAFRTOW-UHFFFAOYSA-N 1 0 270.417 2.138 10 0 CEAERO CCOC(=O)CCCCC[NH2+]Cc1ccc(OC)nc1 ZINC000071297369 176112578 /nfs/dbraw/zinc/11/25/78/176112578.db2.gz BTSGFTIJLLJVKF-UHFFFAOYSA-N 1 0 280.368 2.303 10 0 CEAERO c1cc2c(cc1[C@@H]1C[NH2+]C[C@H](C3CC3)O1)OCCCO2 ZINC000071308802 176116294 /nfs/dbraw/zinc/11/62/94/176116294.db2.gz FYFJELGSCHXVIB-CVEARBPZSA-N 1 0 275.348 2.287 10 0 CEAERO COc1ccc([C@H]2C[NH2+]C[C@@H](C3CC3)O2)cc1F ZINC000071308493 176116308 /nfs/dbraw/zinc/11/63/08/176116308.db2.gz YTUTUEGCTHFGQG-UONOGXRCSA-N 1 0 251.301 2.274 10 0 CEAERO CN(CCSc1ccccc1F)[C@H]1CC[NH2+]C1 ZINC000071311319 176118247 /nfs/dbraw/zinc/11/82/47/176118247.db2.gz RBSIUAHWULBJNE-NSHDSACASA-N 1 0 254.374 2.212 10 0 CEAERO CCN([C@@H](C)c1ccc2c(c1)OCO2)[C@@H]1CC[NH2+]C1 ZINC000071311993 176118968 /nfs/dbraw/zinc/11/89/68/176118968.db2.gz NNPARFNNTHKESG-WCQYABFASA-N 1 0 262.353 2.160 10 0 CEAERO CCN(Cc1cc(F)ccc1OC)[C@H]1CC[NH2+]C1 ZINC000071313971 176120520 /nfs/dbraw/zinc/12/05/20/176120520.db2.gz MMVCZTNDIMQHKD-ZDUSSCGKSA-N 1 0 252.333 2.018 10 0 CEAERO Cc1cc(C)cc(C(=O)NC[C@@H]2[NH2+]CCC[C@@H]2C)c1 ZINC000071338519 176128740 /nfs/dbraw/zinc/12/87/40/176128740.db2.gz KPPGSENZXHNRIH-ZFWWWQNUSA-N 1 0 260.381 2.421 10 0 CEAERO Cc1ccc(C(=O)NC[C@@H]2[NH2+]CCC[C@H]2C)cc1F ZINC000071338545 176128757 /nfs/dbraw/zinc/12/87/57/176128757.db2.gz LQOKMHUHWXDXFQ-RISCZKNCSA-N 1 0 264.344 2.252 10 0 CEAERO C[C@H]1CCC[NH2+][C@H]1CNC(=O)c1cc(F)c(F)c(F)c1 ZINC000071338747 176128989 /nfs/dbraw/zinc/12/89/89/176128989.db2.gz VEKGUYAXLIOMJS-UFBFGSQYSA-N 1 0 286.297 2.222 10 0 CEAERO Cc1cccc(CCC(=O)NC[C@@H]2[NH2+]CCC[C@@H]2C)c1 ZINC000071338779 176129150 /nfs/dbraw/zinc/12/91/50/176129150.db2.gz BXYDJDUDOWFGQP-HOCLYGCPSA-N 1 0 274.408 2.432 10 0 CEAERO C[C@H]1CCC[NH2+][C@H]1CN1C(=O)CC2(CCCC2)CC1=O ZINC000071339280 176129426 /nfs/dbraw/zinc/12/94/26/176129426.db2.gz KJGTXJPVJUGWQI-STQMWFEESA-N 1 0 278.396 2.084 10 0 CEAERO C[C@H]1CCC[NH2+][C@H]1CNC(=O)Nc1ccc(F)cc1 ZINC000071338948 176129435 /nfs/dbraw/zinc/12/94/35/176129435.db2.gz OTHKSRUBEWMADN-GWCFXTLKSA-N 1 0 265.332 2.335 10 0 CEAERO C[C@@H]1CCC[NH2+][C@H]1CNC(=O)NC1CCCCC1 ZINC000071338933 176129460 /nfs/dbraw/zinc/12/94/60/176129460.db2.gz YHLKYDSMKYKPQP-YPMHNXCESA-N 1 0 253.390 2.006 10 0 CEAERO CC[C@H]1C[N@H+](CCCOCC(F)(F)F)[C@H](C2CC2)CN1 ZINC000071344131 176130814 /nfs/dbraw/zinc/13/08/14/176130814.db2.gz SBKRZKBXDHMYQF-STQMWFEESA-N 1 0 294.361 2.418 10 0 CEAERO CCn1cc(CN2CC(C)(C)[NH2+]CC23CCCC3)cn1 ZINC000071343255 176131175 /nfs/dbraw/zinc/13/11/75/176131175.db2.gz QSQKCLGBIFYCLC-UHFFFAOYSA-N 1 0 276.428 2.400 10 0 CEAERO CC(C)(C)[C@H]1CN(CCn2cccn2)[C@](C)(C2CC2)C[NH2+]1 ZINC000071349280 176132440 /nfs/dbraw/zinc/13/24/40/176132440.db2.gz CNTQDHDBNCGSHO-WBVHZDCISA-N 1 0 290.455 2.372 10 0 CEAERO COCCOCCN1C[C@H](C(C)(C)C)[NH2+]C[C@@]1(C)C1CC1 ZINC000071349157 176132603 /nfs/dbraw/zinc/13/26/03/176132603.db2.gz OPWBOMZYLMVEHO-WBVHZDCISA-N 1 0 298.471 2.138 10 0 CEAERO C[C@H]1CN[C@@H](Cc2ccccc2)C[N@@H+]1CC1CCOCC1 ZINC000071352623 176135377 /nfs/dbraw/zinc/13/53/77/176135377.db2.gz BVMBQWHECBSQFX-YJBOKZPZSA-N 1 0 288.435 2.318 10 0 CEAERO CC[C@@H]1CN[C@H](Cc2ccccc2)C[N@@H+]1CCCOC ZINC000071352704 176135642 /nfs/dbraw/zinc/13/56/42/176135642.db2.gz BVTQACGJYBUHSY-IAGOWNOFSA-N 1 0 276.424 2.318 10 0 CEAERO COCCN1C[C@H](Cc2ccccc2)[NH2+]C[C@@]1(C)C1CC1 ZINC000071353497 176136310 /nfs/dbraw/zinc/13/63/10/176136310.db2.gz OHULXKYHXFGPTH-ROUUACIJSA-N 1 0 288.435 2.318 10 0 CEAERO CC[C@H](C)[C@@H]1CN(CCOC)C2(CCCC2)C[NH2+]1 ZINC000071356191 176136667 /nfs/dbraw/zinc/13/66/67/176136667.db2.gz QPSFUJFOUUCYLX-KBPBESRZSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@@H](C)[C@H]1CN(Cc2cnn(C)c2)[C@H](C2CC2)C[NH2+]1 ZINC000071355398 176136847 /nfs/dbraw/zinc/13/68/47/176136847.db2.gz HOYUTHVPPQSTKZ-WQVCFCJDSA-N 1 0 276.428 2.019 10 0 CEAERO CC[C@@H](C)[C@@H]1CNC2(CCCC2)C[N@@H+]1CCOCCOC ZINC000071358612 176137444 /nfs/dbraw/zinc/13/74/44/176137444.db2.gz MOPGMOMUDGUQHO-CVEARBPZSA-N 1 0 298.471 2.282 10 0 CEAERO CC[C@@]1(C)CN(CCOC)[C@H](c2ccccc2)C[NH2+]1 ZINC000071357485 176137543 /nfs/dbraw/zinc/13/75/43/176137543.db2.gz VTEJCNLJFISCRR-HOTGVXAUSA-N 1 0 262.397 2.448 10 0 CEAERO CC[C@H]1C[NH2+]C2(CCCCC2)CN1Cc1cnn(C)c1 ZINC000071359474 176137751 /nfs/dbraw/zinc/13/77/51/176137751.db2.gz VXNWBQVLHFAJKG-HNNXBMFYSA-N 1 0 276.428 2.307 10 0 CEAERO Cc1noc(C)c1CSc1nnc(C[NH3+])n1C(C)C ZINC000071374269 176139539 /nfs/dbraw/zinc/13/95/39/176139539.db2.gz NJEQOAAZBAKTNZ-UHFFFAOYSA-N 1 0 281.385 2.215 10 0 CEAERO C[N@H+](CCN1[C@@H]2CC[C@H]1CC(=O)C2)C1CCCC1 ZINC000071379310 176143403 /nfs/dbraw/zinc/14/34/03/176143403.db2.gz MPHAYQTVHWPHIX-OKILXGFUSA-N 1 0 250.386 2.057 10 0 CEAERO c1sc(CN2CC[NH2+]CC2)nc1Cc1ccccc1 ZINC000071382857 176146024 /nfs/dbraw/zinc/14/60/24/176146024.db2.gz WRSUPYZOOOBZBZ-UHFFFAOYSA-N 1 0 273.405 2.139 10 0 CEAERO CCN(c1nc2ccccc2cc1C(N)=[NH2+])[C@@H](C)COC ZINC000071390206 176148490 /nfs/dbraw/zinc/14/84/90/176148490.db2.gz DWVDOUPUASPWJG-NSHDSACASA-N 1 0 286.379 2.380 10 0 CEAERO c1cc(C2CCCCC2)nc(N2CCC[NH2+]CC2)n1 ZINC000071397916 176151712 /nfs/dbraw/zinc/15/17/12/176151712.db2.gz UHLYLLXONHNMRO-UHFFFAOYSA-N 1 0 260.385 2.324 10 0 CEAERO C[NH2+]Cc1cc(C)ccc1O[C@H](C)C(=O)NC(C)C ZINC000071403679 176155536 /nfs/dbraw/zinc/15/55/36/176155536.db2.gz ZXXAGNZFHFKFJF-GFCCVEGCSA-N 1 0 264.369 2.006 10 0 CEAERO CCC[NH2+]Cc1cc(C)ccc1O[C@@H](C)C(=O)NCC ZINC000071406327 176155960 /nfs/dbraw/zinc/15/59/60/176155960.db2.gz JOOZNLYUYYWYNM-ZDUSSCGKSA-N 1 0 278.396 2.398 10 0 CEAERO Cc1ccncc1NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000071414517 176159532 /nfs/dbraw/zinc/15/95/32/176159532.db2.gz XPNSWDSBNVKUIE-UHFFFAOYSA-N 1 0 256.309 2.493 10 0 CEAERO Cn1cc(CC[NH3+])c2cc(Br)ccc21 ZINC000071491910 176190626 /nfs/dbraw/zinc/19/06/26/176190626.db2.gz VZTRJIODOKJWKA-UHFFFAOYSA-N 1 0 253.143 2.442 10 0 CEAERO O=C1CC[NH2+]CCN1c1ccc(C(F)(F)F)cc1 ZINC000071583766 176208596 /nfs/dbraw/zinc/20/85/96/176208596.db2.gz HFZHYZLBPYZFKB-UHFFFAOYSA-N 1 0 258.243 2.032 10 0 CEAERO COc1ccc(-c2nc(COCC[NH3+])cs2)cc1 ZINC000071596801 176220041 /nfs/dbraw/zinc/22/00/41/176220041.db2.gz FPRUVHSWKASRBZ-UHFFFAOYSA-N 1 0 264.350 2.294 10 0 CEAERO O[C@H](C[NH2+]C1CC1)Cc1ccc(Br)cc1 ZINC000071601355 176228224 /nfs/dbraw/zinc/22/82/24/176228224.db2.gz GCRAUHQKQXAOIU-LBPRGKRZSA-N 1 0 270.170 2.105 10 0 CEAERO Cc1nn(C)c(C)c1N1CC[NH+](Cc2ccccc2)CC1 ZINC000071711596 176248506 /nfs/dbraw/zinc/24/85/06/176248506.db2.gz BNZBPGXPVYQYSW-UHFFFAOYSA-N 1 0 284.407 2.359 10 0 CEAERO CO[C@H](C[NH2+]CCn1cc(C)cn1)C1CCCCC1 ZINC000659896026 415767298 /nfs/dbraw/zinc/76/72/98/415767298.db2.gz NVCURONJZGCCTB-OAHLLOKOSA-N 1 0 265.401 2.376 10 0 CEAERO COc1ccc([C@H]2Cc3n[nH]cc3[C@@H]([NH3+])C2)cc1OC ZINC000072415375 176399180 /nfs/dbraw/zinc/39/91/80/176399180.db2.gz URKJMQZAIBPKTB-PWSUYJOCSA-N 1 0 273.336 2.157 10 0 CEAERO CC(C)OC1CC[NH+](C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000659908101 415775740 /nfs/dbraw/zinc/77/57/40/415775740.db2.gz CITACQSOKXDPHI-UONOGXRCSA-N 1 0 255.402 2.427 10 0 CEAERO CO[C@H](C[N@@H+]1C[C@@H]2CCCCN2C[C@@H]1C)C1CCC1 ZINC000659935786 415791434 /nfs/dbraw/zinc/79/14/34/415791434.db2.gz NCKQHGIFTKACDH-CWRNSKLLSA-N 1 0 266.429 2.360 10 0 CEAERO CC[C@@H]([NH2+]C)C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000662394632 415821695 /nfs/dbraw/zinc/82/16/95/415821695.db2.gz LJZNRABQFHMLTB-KGLIPLIRSA-N 1 0 296.798 2.238 10 0 CEAERO C[C@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000662536893 415878187 /nfs/dbraw/zinc/87/81/87/415878187.db2.gz SMGRMPLJCZUCPY-PEXQALLHSA-N 1 0 297.196 2.364 10 0 CEAERO O=C(CC[NH+]1CCCCC1)NCCc1ccccc1F ZINC000074693768 176600270 /nfs/dbraw/zinc/60/02/70/176600270.db2.gz CSMKZEVCWZSBRK-UHFFFAOYSA-N 1 0 278.371 2.360 10 0 CEAERO CO[C@@H](CNC(=O)[C@]1(C)CCCC[NH2+]1)C1CCCCC1 ZINC000662733766 415946694 /nfs/dbraw/zinc/94/66/94/415946694.db2.gz MWQYYSJLXNVSPG-HOCLYGCPSA-N 1 0 282.428 2.230 10 0 CEAERO Cn1c(C[C@@H]([NH3+])c2ccncc2)nc2ccccc21 ZINC000075727801 176763909 /nfs/dbraw/zinc/76/39/09/176763909.db2.gz LHUSLOOPMPMCOP-GFCCVEGCSA-N 1 0 252.321 2.211 10 0 CEAERO COc1cc(C[NH2+]CCOCC(C)C)cc2c1OCCO2 ZINC000075818870 176794876 /nfs/dbraw/zinc/79/48/76/176794876.db2.gz WPMLLUIDVLCWQL-UHFFFAOYSA-N 1 0 295.379 2.229 10 0 CEAERO COc1ccc(C)cc1N(C)C(=O)CC[NH2+]C(C)C ZINC000076368782 177005734 /nfs/dbraw/zinc/00/57/34/177005734.db2.gz ACDFCJWOHJIODQ-UHFFFAOYSA-N 1 0 264.369 2.355 10 0 CEAERO CCOc1ccc(N(C)C(=O)CC[NH2+]C)cc1Cl ZINC000076408947 177019905 /nfs/dbraw/zinc/01/99/05/177019905.db2.gz BOJDQWGVWCFZPG-UHFFFAOYSA-N 1 0 270.760 2.311 10 0 CEAERO O=C(OCc1ccccc1Br)[C@H]1CCC[NH2+]C1 ZINC000076574110 177041071 /nfs/dbraw/zinc/04/10/71/177041071.db2.gz VNIGZCXSGOHMNL-JTQLQIEISA-N 1 0 298.180 2.492 10 0 CEAERO CC[C@@H](C)NC(=O)[C@H](CC[NH3+])c1cccc(F)c1 ZINC000076656578 177045839 /nfs/dbraw/zinc/04/58/39/177045839.db2.gz ROBMQTSDRQENLS-ZWNOBZJWSA-N 1 0 252.333 2.173 10 0 CEAERO CC[C@H](C)NC(=O)C[C@@H](C[NH3+])c1cccc(F)c1 ZINC000076656643 177046010 /nfs/dbraw/zinc/04/60/10/177046010.db2.gz MZNIVYMNAWMKTK-JQWIXIFHSA-N 1 0 252.333 2.173 10 0 CEAERO COc1cccc(OC[C@H](C[NH3+])c2cccn2C)c1 ZINC000076670771 177053640 /nfs/dbraw/zinc/05/36/40/177053640.db2.gz LYJHOSQLFQPPHH-LBPRGKRZSA-N 1 0 260.337 2.155 10 0 CEAERO CCC[C@@H](C[NH3+])CC(=O)Nc1ccc2c(c1)OCO2 ZINC000076679613 177057618 /nfs/dbraw/zinc/05/76/18/177057618.db2.gz BGRFABWDALLTGN-SNVBAGLBSA-N 1 0 264.325 2.119 10 0 CEAERO C[C@H](C[NH3+])CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000076721169 177069758 /nfs/dbraw/zinc/06/97/58/177069758.db2.gz RMTBKNJVQBBVJB-AWEZNQCLSA-N 1 0 274.408 2.453 10 0 CEAERO C[C@@H](CC[NH3+])C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000076721067 177069826 /nfs/dbraw/zinc/06/98/26/177069826.db2.gz GKBUYRAVEGPQAQ-AWEZNQCLSA-N 1 0 274.408 2.453 10 0 CEAERO CCC[NH+](CCC)CCc1cccc(N)c1CO ZINC000077286441 177249694 /nfs/dbraw/zinc/24/96/94/177249694.db2.gz ABJQCOIVVOLEKN-UHFFFAOYSA-N 1 0 250.386 2.426 10 0 in-vitro CEAERO C[C@H]1COC[C@H](C)[NH+]1CCC(=O)Nc1ccccc1F ZINC000077366335 177257970 /nfs/dbraw/zinc/25/79/70/177257970.db2.gz OGNQAHWPDRYVJR-RYUDHWBXSA-N 1 0 280.343 2.264 10 0 CEAERO COc1ccc(F)cc1NC(=O)CC[NH2+]C(C)C ZINC000077608327 177284733 /nfs/dbraw/zinc/28/47/33/177284733.db2.gz YEGWQUQKNRHUHE-UHFFFAOYSA-N 1 0 254.305 2.161 10 0 CEAERO CCN(C(=O)CN1[C@H](C)CCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000078492964 177346903 /nfs/dbraw/zinc/34/69/03/177346903.db2.gz RJMKZMCQEYSSGQ-GDBMZVCRSA-N 1 0 295.471 2.369 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000078516226 177349011 /nfs/dbraw/zinc/34/90/11/177349011.db2.gz VLWMNCZLZZQGJK-NVXWUHKLSA-N 1 0 274.408 2.374 10 0 CEAERO [NH3+]Cc1cccc(Oc2cncc(Br)c2)n1 ZINC000078766719 177384241 /nfs/dbraw/zinc/38/42/41/177384241.db2.gz VLJNALFHFGNONH-UHFFFAOYSA-N 1 0 280.125 2.490 10 0 CEAERO CC(C)CCOc1cncc(N2CCC[NH2+]CC2)c1 ZINC000078766772 177384360 /nfs/dbraw/zinc/38/43/60/177384360.db2.gz RSRCMOHGADYDIP-UHFFFAOYSA-N 1 0 263.385 2.306 10 0 CEAERO COc1cccc(NC(=O)CC[C@@H](C)CC[NH3+])c1 ZINC000079078949 177429432 /nfs/dbraw/zinc/42/94/32/177429432.db2.gz MGNFQBAUXNSWPH-LLVKDONJSA-N 1 0 250.342 2.399 10 0 CEAERO CCOC(=O)[C@@H]1CCCCN1C(=O)CC[C@@H](CC)CC[NH3+] ZINC000079210800 177447231 /nfs/dbraw/zinc/44/72/31/177447231.db2.gz NJXCHXVZOCKXIO-KGLIPLIRSA-N 1 0 298.427 2.086 10 0 CEAERO CCC[NH2+][C@H](CN1CC[C@@H](C)CCC1=O)C1CC1 ZINC000079246176 177455828 /nfs/dbraw/zinc/45/58/28/177455828.db2.gz BRUCNKFLZBXATH-GXTWGEPZSA-N 1 0 252.402 2.413 10 0 CEAERO CCO[C@H](C[NH3+])CCN1CC[C@@H](C(C)(C)C)CCC1=O ZINC000079281744 177462740 /nfs/dbraw/zinc/46/27/40/177462740.db2.gz DHBZFAMVHIKSKD-KBPBESRZSA-N 1 0 284.444 2.415 10 0 CEAERO C[C@H](NC(=O)[C@@]1(C)CCC[NH2+]1)c1cc(F)ccc1F ZINC000079513003 177510718 /nfs/dbraw/zinc/51/07/18/177510718.db2.gz CFCYQXYZGZWMKD-LKFCYVNXSA-N 1 0 268.307 2.284 10 0 CEAERO CCN(Cc1cccc(C)c1)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079517194 177513371 /nfs/dbraw/zinc/51/33/71/177513371.db2.gz OBXJFZGSCNBGGO-MRXNPFEDSA-N 1 0 260.381 2.486 10 0 CEAERO Cc1cc([C@@H](C)NC(=O)[C@@]2(C)CCC[NH2+]2)c(C)o1 ZINC000079520692 177514381 /nfs/dbraw/zinc/51/43/81/177514381.db2.gz XNQOKAZBMOIQSO-QMTHXVAHSA-N 1 0 250.342 2.216 10 0 CEAERO O=C(c1ccc(Cl)cn1)N1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000079730424 177545359 /nfs/dbraw/zinc/54/53/59/177545359.db2.gz BPJWUZZAOIBTBX-YPMHNXCESA-N 1 0 279.771 2.092 10 0 CEAERO CCC[C@H](COC)[NH2+]C[C@H](O)COc1ccccc1C ZINC000079744111 177549506 /nfs/dbraw/zinc/54/95/06/177549506.db2.gz BSOFTIZIXUPJSD-CABCVRRESA-N 1 0 281.396 2.139 10 0 CEAERO CC[C@H](CC(N)=[NH2+])NC(=O)Nc1ccc(F)cc1 ZINC000079780709 177557800 /nfs/dbraw/zinc/55/78/00/177557800.db2.gz WGEGNGQVOXXJIX-SECBINFHSA-N 1 0 252.293 2.052 10 0 CEAERO CCC[C@H](C[NH3+])NC(=O)Nc1ccc(F)cc1F ZINC000079868631 177572953 /nfs/dbraw/zinc/57/29/53/177572953.db2.gz ZYBOPWIAEHLSCP-SECBINFHSA-N 1 0 257.284 2.214 10 0 CEAERO Cc1c(Cl)cnn1C[C@H]1CC[C@H](C[NH2+]C(C)C)O1 ZINC000080018507 177597399 /nfs/dbraw/zinc/59/73/99/177597399.db2.gz XKEVKPZMOOUOIB-VXGBXAGGSA-N 1 0 271.792 2.391 10 0 CEAERO CCOc1ccc([C@H]2[NH2+][C@@H](C)C[C@@H](C)[C@@H]2C(N)=O)cc1 ZINC000080104751 177608995 /nfs/dbraw/zinc/60/89/95/177608995.db2.gz FGEKCOHDRFDLFM-FDRIWYBQSA-N 1 0 276.380 2.246 10 0 CEAERO C[C@H]([NH3+])c1cccc(NS(=O)(=O)CC(C)(C)C)c1 ZINC000080189117 177621922 /nfs/dbraw/zinc/62/19/22/177621922.db2.gz FVFHVWZPPICZJS-JTQLQIEISA-N 1 0 270.398 2.494 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)N1CCC2(CC2(F)F)CC1 ZINC000405110009 419402136 /nfs/dbraw/zinc/40/21/36/419402136.db2.gz MVDUGNKHLXRHOD-MNOVXSKESA-N 1 0 272.339 2.009 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H](C)Cc1cccs1 ZINC000136338354 419443104 /nfs/dbraw/zinc/44/31/04/419443104.db2.gz ZBUCHMSOWJIUMX-CMPLNLGQSA-N 1 0 254.399 2.169 10 0 CEAERO Cc1ccccc1C[C@H](C)NC(=O)C[C@@H]([NH3+])C(C)C ZINC000136369117 419444786 /nfs/dbraw/zinc/44/47/86/419444786.db2.gz KVXDJSHDOOGZER-DZGCQCFKSA-N 1 0 262.397 2.416 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)N1CCC[C@H]1c1ccncc1 ZINC000136314447 419444940 /nfs/dbraw/zinc/44/49/40/419444940.db2.gz KWVQNXJZCHDTJJ-KGLIPLIRSA-N 1 0 261.369 2.119 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)N(C)Cc1ccccc1F ZINC000136313233 419444951 /nfs/dbraw/zinc/44/49/51/419444951.db2.gz LTDWTBBZZQWDIT-CYBMUJFWSA-N 1 0 252.333 2.158 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)Cc1ccccc1F ZINC000136313267 419445106 /nfs/dbraw/zinc/44/51/06/419445106.db2.gz LTDWTBBZZQWDIT-ZDUSSCGKSA-N 1 0 252.333 2.158 10 0 CEAERO Cc1cc([C@H]2CCCN2C(=O)C[C@H]([NH3+])C(C)C)on1 ZINC000136401337 419447174 /nfs/dbraw/zinc/44/71/74/419447174.db2.gz MBLRBVKSWLDLCG-NWDGAFQWSA-N 1 0 265.357 2.020 10 0 CEAERO COc1ccccc1CN(C)C(=O)C[C@@H]([NH3+])C(C)C ZINC000136411504 419447296 /nfs/dbraw/zinc/44/72/96/419447296.db2.gz AKFCSMFVLLPKCA-CYBMUJFWSA-N 1 0 264.369 2.027 10 0 CEAERO Cc1ccccc1N1CCN(C(=O)C[C@H]([NH3+])C(C)C)CC1 ZINC000136437242 419447532 /nfs/dbraw/zinc/44/75/32/419447532.db2.gz LFIDSPDDVLGREY-HNNXBMFYSA-N 1 0 289.423 2.017 10 0 CEAERO Cc1ccc(OCCN(C)C(=O)C[C@@H]([NH3+])C(C)C)cc1 ZINC000136380499 419447787 /nfs/dbraw/zinc/44/77/87/419447787.db2.gz JKCPKUJGGSALSN-OAHLLOKOSA-N 1 0 278.396 2.206 10 0 CEAERO CC(=O)Nc1cccc([C@H](C)NC(=O)C[C@H]([NH3+])C(C)C)c1 ZINC000136409657 419448315 /nfs/dbraw/zinc/44/83/15/419448315.db2.gz TZQJHLCSPNTDCT-NHYWBVRUSA-N 1 0 291.395 2.196 10 0 CEAERO C[C@H](CC[NH2+][C@H](C)c1nccn1C)NC(=O)OC(C)(C)C ZINC000183202180 260063552 /nfs/dbraw/zinc/06/35/52/260063552.db2.gz OHOOLLAEDFFGLQ-VXGBXAGGSA-N 1 0 296.415 2.374 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)C[C@H]2CC[NH2+]C2)c(C)c1 ZINC000089743462 260238737 /nfs/dbraw/zinc/23/87/37/260238737.db2.gz MRPWXZNHRDKVME-ZIAGYGMSSA-N 1 0 260.381 2.480 10 0 CEAERO Clc1cnc(NC[C@H]2C[NH2+]CCCO2)c(Cl)c1 ZINC000390186397 262149823 /nfs/dbraw/zinc/14/98/23/262149823.db2.gz GJMRKOSATPHWQN-SECBINFHSA-N 1 0 276.167 2.179 10 0 CEAERO CC[C@@H]([NH2+]CCO)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000188648230 270257116 /nfs/dbraw/zinc/25/71/16/270257116.db2.gz ZVCPBNYBWWUBIF-OLZOCXBDSA-N 1 0 286.416 2.137 10 0 CEAERO Cc1cc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)ccc1O ZINC000226718558 270310590 /nfs/dbraw/zinc/31/05/90/270310590.db2.gz CDSGPMINEZAFAQ-CQSZACIVSA-N 1 0 278.396 2.407 10 0 CEAERO CC(C)Cc1nnc(NC(=O)C[C@H]2CCC[NH2+]C2)s1 ZINC000230296198 270313854 /nfs/dbraw/zinc/31/38/54/270313854.db2.gz QOJXQYADGIISBO-SNVBAGLBSA-N 1 0 282.413 2.065 10 0 CEAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000392864878 270341434 /nfs/dbraw/zinc/34/14/34/270341434.db2.gz GQESCBSWLWCSSH-ZJUUUORDSA-N 1 0 281.425 2.197 10 0 CEAERO CC(C)(C)OC(=O)NCCC(C)(C)[NH2+]Cc1cc[nH]n1 ZINC000397442115 270354418 /nfs/dbraw/zinc/35/44/18/270354418.db2.gz FQLURXJHLLHRAC-UHFFFAOYSA-N 1 0 282.388 2.193 10 0 CEAERO C[C@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)[C@H]1CC1(C)C ZINC000397786036 270355024 /nfs/dbraw/zinc/35/50/24/270355024.db2.gz PGOWBCFWLVWYQA-MELADBBJSA-N 1 0 274.412 2.470 10 0 CEAERO C[C@H]1CC[C@H](O)CN1Cc1cc(-c2ccco2)on1 ZINC000399168700 270366441 /nfs/dbraw/zinc/36/64/41/270366441.db2.gz FUZPSHNIQPJBEF-JQWIXIFHSA-N 1 0 262.309 2.280 10 0 CEAERO C[C@H]1CC[C@@H](O)C[N@@H+]1CCOc1ccccc1F ZINC000399170244 270366847 /nfs/dbraw/zinc/36/68/47/270366847.db2.gz CHFNWNZZTNHSCF-NWDGAFQWSA-N 1 0 253.317 2.050 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)[C@@H]([NH3+])C2CCC2)cc1F ZINC000399226588 270367566 /nfs/dbraw/zinc/36/75/66/270367566.db2.gz NFLGORKTYXZJKE-YGRLFVJLSA-N 1 0 264.344 2.439 10 0 CEAERO CN1C(=O)C[C@@H]([NH3+])[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000062208846 273863444 /nfs/dbraw/zinc/86/34/44/273863444.db2.gz ZTQYNKILRPFDCR-KOLCDFICSA-N 1 0 259.136 2.224 10 0 CEAERO Cc1cc(N2CC[C@H]([NH3+])[C@H]2C)ncc1Br ZINC000261537177 274710980 /nfs/dbraw/zinc/71/09/80/274710980.db2.gz VCNPNOVEUMWIBD-SCZZXKLOSA-N 1 0 270.174 2.078 10 0 CEAERO Cc1nc(N2CC[C@@H]([NH3+])[C@H](C)C2)ccc1Br ZINC000261534131 274841855 /nfs/dbraw/zinc/84/18/55/274841855.db2.gz NMDYJBBGCVYOST-LDYMZIIASA-N 1 0 284.201 2.326 10 0 CEAERO NC(=O)c1cccc(C[NH2+][C@H]2CCOc3ccccc32)c1 ZINC000036902893 274941074 /nfs/dbraw/zinc/94/10/74/274941074.db2.gz JZPYNXCWIANGMB-HNNXBMFYSA-N 1 0 282.343 2.399 10 0 CEAERO c1ccc2[nH]c(N3CC[N@H+]4CCCC[C@@H]4C3)nc2c1 ZINC000270547493 275068924 /nfs/dbraw/zinc/06/89/24/275068924.db2.gz FCRWTDRQZITOER-GFCCVEGCSA-N 1 0 256.353 2.237 10 0 CEAERO CC1(C)C[C@H](NC(=O)C[C@@H]2CC[NH2+]C2)c2ccccc2O1 ZINC000129612954 275864685 /nfs/dbraw/zinc/86/46/85/275864685.db2.gz JDIJCRRUPJSLDG-JSGCOSHPSA-N 1 0 288.391 2.405 10 0 CEAERO CCC[C@H](C(=O)N1CCCC[C@H](SC)C1)[NH+](C)C ZINC000161780664 276037394 /nfs/dbraw/zinc/03/73/94/276037394.db2.gz GUCPIKIDPPCGQV-QWHCGFSZSA-N 1 0 272.458 2.461 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N1Cc2ccccc2C(C)(C)C1 ZINC000262530431 276043045 /nfs/dbraw/zinc/04/30/45/276043045.db2.gz IBKAIHRMDVLGQV-AWEZNQCLSA-N 1 0 260.381 2.434 10 0 CEAERO CC(C)c1ccc(-c2nc([C@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263203998 276047915 /nfs/dbraw/zinc/04/79/15/276047915.db2.gz JMTKKHIPSMWQEV-CQSZACIVSA-N 1 0 286.379 2.436 10 0 CEAERO CC(C)c1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC(N)=O)cc1 ZINC000048433739 276057790 /nfs/dbraw/zinc/05/77/90/276057790.db2.gz RIRRMEOGOBWDHW-WDEREUQCSA-N 1 0 277.368 2.044 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+]CC2CCC(C)CC2)C1 ZINC000263459113 276087480 /nfs/dbraw/zinc/08/74/80/276087480.db2.gz BHMDDGHZMMUDKU-UHFFFAOYSA-N 1 0 282.428 2.340 10 0 CEAERO CC[NH+](CC)CC(=O)Nc1c(C)cccc1C(=O)OC ZINC000000002197 276095176 /nfs/dbraw/zinc/09/51/76/276095176.db2.gz UDKICLZCJWQTLS-UHFFFAOYSA-N 1 0 278.352 2.062 10 0 in-man CEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ncn(-c2ccccc2)n1 ZINC000179357317 276183558 /nfs/dbraw/zinc/18/35/58/276183558.db2.gz VDAJEFCYMQIUNV-INIZCTEOSA-N 1 0 299.422 2.183 10 0 CEAERO CCC(O)(CC)C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000252761925 276214168 /nfs/dbraw/zinc/21/41/68/276214168.db2.gz YKVIAZJKSBAOPK-ZFWWWQNUSA-N 1 0 255.402 2.165 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+]C[C@@H]2CCC[C@@H](C)C2)C1 ZINC000263524152 276315339 /nfs/dbraw/zinc/31/53/39/276315339.db2.gz SMPUFNBBDRXKHC-LMRVLLHPSA-N 1 0 282.428 2.340 10 0 CEAERO CC[NH+](CC)CCCN[C@@H]1CC(=O)N(C)c2ccccc21 ZINC000037211039 276325650 /nfs/dbraw/zinc/32/56/50/276325650.db2.gz MUVCTKWMTQFMTC-OAHLLOKOSA-N 1 0 289.423 2.416 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCSC(C)(C)C2)C1 ZINC000175706895 276374704 /nfs/dbraw/zinc/37/47/04/276374704.db2.gz QQMZWWLUHGYOMV-LBPRGKRZSA-N 1 0 285.457 2.008 10 0 CEAERO CN1CCO[C@H](C[NH2+][C@@H]2CCCc3cc(F)ccc32)C1 ZINC000183196667 277128027 /nfs/dbraw/zinc/12/80/27/277128027.db2.gz MDZOVQWQOVUZQG-GDBMZVCRSA-N 1 0 278.371 2.123 10 0 CEAERO CC(C)(C)CC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000038042774 277139818 /nfs/dbraw/zinc/13/98/18/277139818.db2.gz LJTXIJKVNDZBAN-CQSZACIVSA-N 1 0 282.428 2.436 10 0 CEAERO CN1c2ccccc2[C@@H]([NH2+]CCc2cccnc2)CC1=O ZINC000037718227 277218008 /nfs/dbraw/zinc/21/80/08/277218008.db2.gz ULOSYVALRCEOFK-HNNXBMFYSA-N 1 0 281.359 2.322 10 0 CEAERO COCC[C@H](C)[NH2+][C@@H]1CC(=O)N(C)c2ccccc21 ZINC000081705873 277239064 /nfs/dbraw/zinc/23/90/64/277239064.db2.gz JTHANMBANIQOOG-WCQYABFASA-N 1 0 262.353 2.109 10 0 CEAERO CO[C@@H]1CCN(C[C@@H]2CCCC(F)(F)C2)[C@H](C[NH3+])C1 ZINC000261558902 277292633 /nfs/dbraw/zinc/29/26/33/277292633.db2.gz ATLKZNMZWKGNII-FRRDWIJNSA-N 1 0 276.371 2.250 10 0 CEAERO COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2[NH3+])cc1 ZINC000035571717 277928395 /nfs/dbraw/zinc/92/83/95/277928395.db2.gz GFFOEMWZSLZQTP-KBPBESRZSA-N 1 0 292.379 2.357 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1ccc2c(c1)CCCC2 ZINC000335499118 278098861 /nfs/dbraw/zinc/09/88/61/278098861.db2.gz AJFTZDLOSZUXQF-IAQYHMDHSA-N 1 0 258.365 2.127 10 0 CEAERO CS[C@@H]1CCC[C@@H](NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000246943744 278143967 /nfs/dbraw/zinc/14/39/67/278143967.db2.gz CJCOWOOXOSBHPH-HZSPNIEDSA-N 1 0 297.468 2.150 10 0 CEAERO C[C@@H](C(=O)N[C@H]1CCSc2c(F)cccc21)C1C[NH2+]C1 ZINC000262063473 278213458 /nfs/dbraw/zinc/21/34/58/278213458.db2.gz IUGKHUXEHMFQPS-RNCFNFMXSA-N 1 0 294.395 2.334 10 0 CEAERO C[C@H](NC(=O)[C@H]1[NH2+]CCCC1(C)C)C1CCCC1 ZINC000235517320 278250106 /nfs/dbraw/zinc/25/01/06/278250106.db2.gz SWXFWKNRKYKFRT-WCQYABFASA-N 1 0 252.402 2.460 10 0 CEAERO C[C@H](O)C[N@@H+]1CCN(C/C=C\c2ccc(F)cc2)C[C@@H]1C ZINC000299736448 278294443 /nfs/dbraw/zinc/29/44/43/278294443.db2.gz NJMJCYFPCCMBOQ-CGXNLCPXSA-N 1 0 292.398 2.226 10 0 CEAERO C[C@@H](C[C@H]1COCCN1)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000133708450 278294806 /nfs/dbraw/zinc/29/48/06/278294806.db2.gz HBBHGNZVWXIGLU-WTIISPKJSA-N 1 0 294.361 2.464 10 0 CEAERO CC1(C)[C@H]([NH2+]C[C@@H]2CSCCS2)[C@@H]2CCO[C@@H]21 ZINC000164607670 278445154 /nfs/dbraw/zinc/44/51/54/278445154.db2.gz BKXKWBYGHBAZIU-KXNHARMFSA-N 1 0 273.467 2.238 10 0 CEAERO CC(C)(C)OC[C@@H](O)C[NH2+][C@H]1CC2CCC1CC2 ZINC000336795314 278467175 /nfs/dbraw/zinc/46/71/75/278467175.db2.gz JNSOTSICOSLKBE-HOAMVYINSA-N 1 0 255.402 2.331 10 0 CEAERO Cc1cc(F)ccc1C(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000235311900 278700085 /nfs/dbraw/zinc/70/00/85/278700085.db2.gz GEEXYEAHSNNEPE-ZWNOBZJWSA-N 1 0 264.344 2.334 10 0 CEAERO CC(C)CC1(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CCCC1 ZINC000232564458 278739908 /nfs/dbraw/zinc/73/99/08/278739908.db2.gz LUGNXBWGEWSBNK-CHWSQXEVSA-N 1 0 252.402 2.399 10 0 CEAERO CC(C)CCO[C@@H](C)C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262098532 278771900 /nfs/dbraw/zinc/77/19/00/278771900.db2.gz UVZYJBGWBOVZMG-STQMWFEESA-N 1 0 270.417 2.023 10 0 CEAERO Cc1ccc(Br)c(C(=O)N2CCC[C@@H]2C[NH3+])c1 ZINC000131566127 278780510 /nfs/dbraw/zinc/78/05/10/278780510.db2.gz AXVOEIQZOMMUMU-SNVBAGLBSA-N 1 0 297.196 2.321 10 0 CEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000282197855 279027066 /nfs/dbraw/zinc/02/70/66/279027066.db2.gz CKXMBPJPWFIMGA-TUKIKUTGSA-N 1 0 258.365 2.321 10 0 CEAERO C[C@@H]1NC(=O)CC[C@@H]1Nc1cc[nH+]c2ccccc12 ZINC000281660549 279027364 /nfs/dbraw/zinc/02/73/64/279027364.db2.gz ONMCJLTUXBOIFU-JQWIXIFHSA-N 1 0 255.321 2.314 10 0 CEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000308477655 279028096 /nfs/dbraw/zinc/02/80/96/279028096.db2.gz KCWHHRYNQZCGAR-GXFFZTMASA-N 1 0 266.772 2.139 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1nc(C(F)(F)F)ns1 ZINC000228793704 279033603 /nfs/dbraw/zinc/03/36/03/279033603.db2.gz UPCZTGGTLYSIEW-WDSKDSINSA-N 1 0 266.292 2.109 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc(O)cc1F ZINC000226270624 279132541 /nfs/dbraw/zinc/13/25/41/279132541.db2.gz UDCNSAWZCXSMGD-LLVKDONJSA-N 1 0 282.359 2.237 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)c1ncnc(Cl)c1NC ZINC000125029302 279302279 /nfs/dbraw/zinc/30/22/79/279302279.db2.gz LWMYZTRWCMCBDW-SNVBAGLBSA-N 1 0 283.807 2.092 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C1(CCOC)CCC1 ZINC000121806909 279324558 /nfs/dbraw/zinc/32/45/58/279324558.db2.gz XRNJHCYQYAODTK-AWEZNQCLSA-N 1 0 282.428 2.136 10 0 CEAERO CCOC(=O)C1CCC(O)(C[NH+]2CCCCCC2)CC1 ZINC000191440962 279532661 /nfs/dbraw/zinc/53/26/61/279532661.db2.gz UQHGCOFGKJMSTG-UHFFFAOYSA-N 1 0 283.412 2.347 10 0 CEAERO CCOC(=O)N1CCCSC[C@H]1C[NH+]1CCCC1 ZINC000085473189 279573077 /nfs/dbraw/zinc/57/30/77/279573077.db2.gz QGUJKBAITSCXSD-GFCCVEGCSA-N 1 0 272.414 2.046 10 0 CEAERO CC(C)NC(=O)N1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000068589798 279580960 /nfs/dbraw/zinc/58/09/60/279580960.db2.gz FQCWXHNPRSJAHB-CQSZACIVSA-N 1 0 267.417 2.349 10 0 CEAERO CCOc1ccc(CN(C)C(=O)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000054307657 279640457 /nfs/dbraw/zinc/64/04/57/279640457.db2.gz XKDSLJNIBUBKPK-HNNXBMFYSA-N 1 0 290.407 2.433 10 0 CEAERO CC(C)(C)OC[C@H](O)C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000119702983 279751910 /nfs/dbraw/zinc/75/19/10/279751910.db2.gz HNSNGOLUQIQZRJ-NEPJUHHUSA-N 1 0 273.417 2.098 10 0 CEAERO C[C@H]1CC[C@H](C(=O)N2CCC(CCC[NH+](C)C)CC2)O1 ZINC000133319678 279995375 /nfs/dbraw/zinc/99/53/75/279995375.db2.gz UYMYFFMTQOVXEB-DZGCQCFKSA-N 1 0 282.428 2.134 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1Nc1nc(C(F)(F)F)ns1 ZINC000228793714 280045220 /nfs/dbraw/zinc/04/52/20/280045220.db2.gz UPCZTGGTLYSIEW-RITPCOANSA-N 1 0 266.292 2.109 10 0 CEAERO C[C@@H]1CN(C[C@@]2(C)CC[NH2+]C2)[C@@H](c2ccccc2)CO1 ZINC000262115728 288195921 /nfs/dbraw/zinc/19/59/21/288195921.db2.gz WWJSKFTULUIOIW-OIISXLGYSA-N 1 0 274.408 2.448 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]3CCC[C@H]32)C1 ZINC000245678859 280255685 /nfs/dbraw/zinc/25/56/85/280255685.db2.gz GFBHZXQRXCRIQB-SOUVJXGZSA-N 1 0 279.428 2.445 10 0 CEAERO C[C@H](CC1CCCC1)C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246721447 280307975 /nfs/dbraw/zinc/30/79/75/280307975.db2.gz LKXYCYXELGCLEN-KFWWJZLASA-N 1 0 296.455 2.116 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@@H]1CCCC1(C)C ZINC000247276863 280324628 /nfs/dbraw/zinc/32/46/28/280324628.db2.gz WXICASCHJYJLFH-HZSPNIEDSA-N 1 0 279.428 2.443 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H]2CSC)C1 ZINC000247350088 280327483 /nfs/dbraw/zinc/32/74/83/280327483.db2.gz YAYWEBRIPBMKAC-STQMWFEESA-N 1 0 285.457 2.008 10 0 CEAERO CC(=O)N[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[C@H]2C)C1 ZINC000248483890 280349805 /nfs/dbraw/zinc/34/98/05/280349805.db2.gz JQEWTANGBLROCN-VHDGCEQUSA-N 1 0 252.402 2.413 10 0 CEAERO CC(C)OC1CC([NH2+][C@@H]2CN(C(C)C)C[C@H]2C)C1 ZINC000248650011 280357430 /nfs/dbraw/zinc/35/74/30/280357430.db2.gz WDNZEILQFJZZHW-XSCHDIRWSA-N 1 0 254.418 2.261 10 0 CEAERO Cc1cc(C)c(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)cc1C ZINC000282338893 280386323 /nfs/dbraw/zinc/38/63/23/280386323.db2.gz MAXVQCKREMXVAY-HIFRSBDPSA-N 1 0 260.381 2.369 10 0 CEAERO COC[C@H](C)C[N@@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC ZINC000249182107 280387669 /nfs/dbraw/zinc/38/76/69/280387669.db2.gz IVMHBIVGURSHQB-SYQHCUMBSA-N 1 0 269.385 2.075 10 0 CEAERO C[C@H]([NH3+])CCNCc1ccccc1Br ZINC000258696427 280526442 /nfs/dbraw/zinc/52/64/42/280526442.db2.gz GIQHSWMNAFDZCH-VIFPVBQESA-N 1 0 257.175 2.276 10 0 CEAERO COc1ccc(Br)cc1CNC[C@H]1CC[NH2+]C1 ZINC000258960149 280528355 /nfs/dbraw/zinc/52/83/55/280528355.db2.gz SGEZEPBNTQFCNB-JTQLQIEISA-N 1 0 299.212 2.157 10 0 CEAERO CC(C)c1cccc(N(C)C(=O)C2([NH3+])CCOCC2)c1 ZINC000261802463 280635400 /nfs/dbraw/zinc/63/54/00/280635400.db2.gz IYBRCLAFDVCAIF-UHFFFAOYSA-N 1 0 276.380 2.281 10 0 CEAERO Cc1ccc(CNC[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000398355815 280693309 /nfs/dbraw/zinc/69/33/09/280693309.db2.gz LNESCDVXNNJCOR-LLVKDONJSA-N 1 0 283.213 2.457 10 0 CEAERO Cc1ccc2[nH+]ccc(N3CC[C@@H](N4CCOCC4)C3)c2c1 ZINC000185736457 281170394 /nfs/dbraw/zinc/17/03/94/281170394.db2.gz ALUYSYMZOJEAPL-OAHLLOKOSA-N 1 0 297.402 2.454 10 0 CEAERO CC1CCC(N(C(=O)[C@@H]2CC[NH2+]C2)C2CC2)CC1 ZINC000236783724 281732128 /nfs/dbraw/zinc/73/21/28/281732128.db2.gz URLNNANEBILLQC-OTTFEQOBSA-N 1 0 250.386 2.166 10 0 CEAERO CCC[C@H](C(=O)NCC1(CCOC)CCCC1)[NH+](C)C ZINC000154829088 289156481 /nfs/dbraw/zinc/15/64/81/289156481.db2.gz YMGYQRQFOFQERN-CQSZACIVSA-N 1 0 284.444 2.430 10 0 CEAERO CCC[C@@H]([NH2+]C[C@@H](C)N1CCOCC1)c1ccccn1 ZINC000158557435 289235999 /nfs/dbraw/zinc/23/59/99/289235999.db2.gz GYDDRFSCYJGEHL-HUUCEWRRSA-N 1 0 277.412 2.233 10 0 CEAERO CCCC[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H]2CCCO2)CC1 ZINC000158676915 289238591 /nfs/dbraw/zinc/23/85/91/289238591.db2.gz TXXQYFQNLOAUAL-ZFWWWQNUSA-N 1 0 297.443 2.118 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H](SCC)C1 ZINC000262460816 289259695 /nfs/dbraw/zinc/25/96/95/289259695.db2.gz JSYVGZKRVUDIMV-SRVKXCTJSA-N 1 0 258.431 2.294 10 0 CEAERO C[C@H](CN1CCCC1=O)[NH2+]CC1CCC(C)CC1 ZINC000089576670 289557964 /nfs/dbraw/zinc/55/79/64/289557964.db2.gz KPBLHGRHMATCFW-ROKHWSDSSA-N 1 0 252.402 2.413 10 0 CEAERO C[C@H]1CC2(CCC2)C[N@@H+]1[C@@H]1CCN(C2CCOCC2)C1=O ZINC000334551769 290362303 /nfs/dbraw/zinc/36/23/03/290362303.db2.gz YRJWWEODYIQSGZ-DZGCQCFKSA-N 1 0 292.423 2.031 10 0 CEAERO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000262047505 297397780 /nfs/dbraw/zinc/39/77/80/297397780.db2.gz USABWZTUBFGKFL-RJZRQDKASA-N 1 0 264.413 2.399 10 0 CEAERO CN(Cc1ncccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000530216744 298053059 /nfs/dbraw/zinc/05/30/59/298053059.db2.gz DJPUBDODRPAVHV-NSHDSACASA-N 1 0 253.777 2.309 10 0 CEAERO [NH3+]CCc1nccn1Cc1ccc(Br)s1 ZINC000052304083 527199429 /nfs/dbraw/zinc/19/94/29/527199429.db2.gz DQKQXJBFFPTVTB-UHFFFAOYSA-N 1 0 286.198 2.257 10 0 CEAERO C[C@H]1CN(Cc2ccc3c(c2)CC(C)(C)O3)C[C@@H]1[NH3+] ZINC000262075169 300270093 /nfs/dbraw/zinc/27/00/93/300270093.db2.gz SLBZZSRPVCAXLC-FZMZJTMJSA-N 1 0 260.381 2.179 10 0 CEAERO [NH3+]C1(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCCC1 ZINC000037616677 303356169 /nfs/dbraw/zinc/35/61/69/303356169.db2.gz CPIJHHYXXUEDJR-NXEZZACHSA-N 1 0 278.318 2.495 10 0 CEAERO [NH3+]CCCN(CC1CCOCC1)c1ccccc1F ZINC000052171451 303377180 /nfs/dbraw/zinc/37/71/80/303377180.db2.gz FDRIGUPCWOIEJV-UHFFFAOYSA-N 1 0 266.360 2.408 10 0 CEAERO [NH3+]C[C@@H]1CCCN1C(=O)C1C2CC3CC(C2)CC1C3 ZINC000168447159 303403197 /nfs/dbraw/zinc/40/31/97/303403197.db2.gz XUIDLOLCYRITIW-BPHCLYMKSA-N 1 0 262.397 2.008 10 0 CEAERO CCn1c(C)nnc1COc1ccc([C@H](C)[NH3+])cc1 ZINC000568383095 313948610 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519799024 /nfs/dbraw/zinc/79/90/24/519799024.db2.gz BNMQZERUKAJRRW-GFCCVEGCSA-N 1 0 267.398 2.060 10 0 CEAERO CC(C)[C@H](CN(C)C)[NH2+]C[C@H](O)c1ccc(F)cc1F ZINC000049204639 519814571 /nfs/dbraw/zinc/81/45/71/519814571.db2.gz JZJQBZBNJIUWQD-GJZGRUSLSA-N 1 0 286.366 2.174 10 0 CEAERO CC[NH2+]CC1(CN(CC)CC(F)(F)F)CCOCC1 ZINC000052182244 519912673 /nfs/dbraw/zinc/91/26/73/519912673.db2.gz NHGQBTSTPOCPFR-UHFFFAOYSA-N 1 0 282.350 2.277 10 0 CEAERO CC[NH2+]CCC(=O)N[C@H]1CCSc2ccccc21 ZINC000061290193 519917037 /nfs/dbraw/zinc/91/70/37/519917037.db2.gz XXKKFRUUSXZLCH-LBPRGKRZSA-N 1 0 264.394 2.339 10 0 CEAERO CCC[NH2+]C[C@@H]1CC[C@H](Cn2nc(C)c(C)c2C)O1 ZINC000052591620 519927191 /nfs/dbraw/zinc/92/71/91/519927191.db2.gz FRXLBEFEMBMSID-LSDHHAIUSA-N 1 0 265.401 2.356 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000061230334 519937287 /nfs/dbraw/zinc/93/72/87/519937287.db2.gz GKIRUGXZFDPUQF-IUODEOHRSA-N 1 0 260.381 2.426 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1cc(F)c(F)cc1F ZINC000061268450 519939075 /nfs/dbraw/zinc/93/90/75/519939075.db2.gz OGUOUZVLTNAPBD-SSDOTTSWSA-N 1 0 260.259 2.288 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccc(OC)c(C)c1 ZINC000061267774 519939944 /nfs/dbraw/zinc/93/99/44/519939944.db2.gz VCZWIUCCGVFMBT-LLVKDONJSA-N 1 0 250.342 2.188 10 0 CEAERO CC[NH2+]C[C@@H](O)c1cc2c(cc1OCC)C[C@@H](C)O2 ZINC000055027700 519945748 /nfs/dbraw/zinc/94/57/48/519945748.db2.gz TWVWCVBJARTDQQ-ZWNOBZJWSA-N 1 0 265.353 2.052 10 0 CEAERO CC[NH2+]C[C@@H]1CC[C@@H](COc2cccc(OC)c2)O1 ZINC000052655242 519954082 /nfs/dbraw/zinc/95/40/82/519954082.db2.gz PWEKMWKKQGSVOV-GJZGRUSLSA-N 1 0 265.353 2.231 10 0 CEAERO CCC[NH2+]Cc1nnnn1[C@@H](C)c1ccccc1Cl ZINC000054747801 519970062 /nfs/dbraw/zinc/97/00/62/519970062.db2.gz BDFVNFNPWBYZJE-JTQLQIEISA-N 1 0 279.775 2.435 10 0 CEAERO CC[NH2+]C[C@H](OCCOCC)c1ccc(OC)cc1 ZINC000050489237 519974705 /nfs/dbraw/zinc/97/47/05/519974705.db2.gz BNYKTSSNPGUIGY-HNNXBMFYSA-N 1 0 267.369 2.399 10 0 CEAERO CCC[NH2+][C@@H](CCc1ccccc1)CS(C)(=O)=O ZINC000052789201 520007350 /nfs/dbraw/zinc/00/73/50/520007350.db2.gz PEFRVQKMPMQAQQ-AWEZNQCLSA-N 1 0 269.410 2.032 10 0 CEAERO CCC[NH2+][C@@H](CN1CCC[C@H](OCC)C1)C1CC1 ZINC000069074430 520009401 /nfs/dbraw/zinc/00/94/01/520009401.db2.gz PMAAWEVEJOEXPD-GJZGRUSLSA-N 1 0 254.418 2.266 10 0 CEAERO CCC[NH2+][C@@H](CS(C)(=O)=O)c1ccc(OCC)cc1 ZINC000054930566 520010825 /nfs/dbraw/zinc/01/08/25/520010825.db2.gz CWEDOJNOYVUGJD-AWEZNQCLSA-N 1 0 285.409 2.171 10 0 CEAERO CCCN[C@@H](C[N@H+](C)C(C)(C)CC)C(=O)OCC ZINC000069446470 520006327 /nfs/dbraw/zinc/00/63/27/520006327.db2.gz BBSNHLDQXBITLN-LBPRGKRZSA-N 1 0 258.406 2.038 10 0 CEAERO CC[NH2+]Cc1nc(-n2nc(C)nc2C)ccc1Cl ZINC000051488302 520021462 /nfs/dbraw/zinc/02/14/62/520021462.db2.gz ANEKCVWZRKCUGB-UHFFFAOYSA-N 1 0 265.748 2.042 10 0 CEAERO CC[NH2+]Cc1nc(CN(CCOC)CC(C)C)cs1 ZINC000052508328 520019773 /nfs/dbraw/zinc/01/97/73/520019773.db2.gz UQRNLHWJJXDJED-UHFFFAOYSA-N 1 0 285.457 2.357 10 0 CEAERO CCC[NH2+][C@@](C)(CC[N@@H+]1CCCC(C)(C)C1)C(=O)[O-] ZINC000069516967 520036222 /nfs/dbraw/zinc/03/62/22/520036222.db2.gz APODBBYAYDVORR-HNNXBMFYSA-N 1 0 270.417 2.341 10 0 CEAERO CCCN[C@@](C)(C[C@@H](C)[N@@H+]1CCCC(C)(C)C1)C(N)=O ZINC000068647798 520040153 /nfs/dbraw/zinc/04/01/53/520040153.db2.gz IJHPVTPRJFDTSO-CJNGLKHVSA-N 1 0 283.460 2.131 10 0 CEAERO CCC[NH2+][C@H](CC[N@H+](CC)C1CCCCC1)C(=O)[O-] ZINC000062439119 520071635 /nfs/dbraw/zinc/07/16/35/520071635.db2.gz LIQGLFVLJULCFE-CQSZACIVSA-N 1 0 270.417 2.484 10 0 CEAERO CCCN[C@H](CC[N@H+](CC)C1CCCC1)C(=O)OC ZINC000062448561 520071735 /nfs/dbraw/zinc/07/17/35/520071735.db2.gz DUBZOYGNIVZPEP-CQSZACIVSA-N 1 0 270.417 2.182 10 0 CEAERO CC[NH2+][C@@H](C)Cc1nc(-c2ccc(OC)cc2)no1 ZINC000061212980 520072415 /nfs/dbraw/zinc/07/24/15/520072415.db2.gz KSNLTTUPZJVRTM-JTQLQIEISA-N 1 0 261.325 2.286 10 0 CEAERO CCCN[C@](C)(C[C@H](C)[N@@H+]1CCCCC[C@@H]1C)C(N)=O ZINC000068647889 520113503 /nfs/dbraw/zinc/11/35/03/520113503.db2.gz DOKDWWPILGQBQB-OFQRWUPVSA-N 1 0 283.460 2.273 10 0 CEAERO CCCNc1cc(C(=O)NCCC[NH+](C)C)cc(Cl)n1 ZINC000050743332 520130811 /nfs/dbraw/zinc/13/08/11/520130811.db2.gz RIHBNOAKGJICLI-UHFFFAOYSA-N 1 0 298.818 2.238 10 0 CEAERO CCN[C@@](C)(C[C@H](C)[NH+](CC1CC1)CC1CC1)C(=O)OC ZINC000068647988 520144180 /nfs/dbraw/zinc/14/41/80/520144180.db2.gz OSMGWUUMPPUGOG-GUYCJALGSA-N 1 0 296.455 2.428 10 0 CEAERO CC[NH2+][C@H](CN1CCOc2ccccc2C1)C1CC1 ZINC000069075524 520199017 /nfs/dbraw/zinc/19/90/17/520199017.db2.gz MFEHEIILWIBZJB-OAHLLOKOSA-N 1 0 260.381 2.269 10 0 CEAERO CC[NH2+][C@H](Cn1cc(C(F)(F)F)ccc1=O)C1CC1 ZINC000069079316 520205257 /nfs/dbraw/zinc/20/52/57/520205257.db2.gz OHVQSZCAPIHJST-LLVKDONJSA-N 1 0 274.286 2.255 10 0 CEAERO CCCCCNC(=O)[C@@H](C)[NH2+][C@H](CC(C)C)CN(C)C ZINC000049555838 520211302 /nfs/dbraw/zinc/21/13/02/520211302.db2.gz TZRCIOOLNXMBAM-HUUCEWRRSA-N 1 0 285.476 2.247 10 0 CEAERO CCN[C@](C)(C[C@@H](C)[NH+]1CCC(C)CC1)C(=O)OCC ZINC000068618616 520235860 /nfs/dbraw/zinc/23/58/60/520235860.db2.gz MCQKYVMZSRXWAG-GDBMZVCRSA-N 1 0 284.444 2.428 10 0 CEAERO CCNc1ncccc1C[N@@H+]1CCC[C@H]1CCCO ZINC000052763228 520378904 /nfs/dbraw/zinc/37/89/04/520378904.db2.gz RPABWRXHNHQELZ-AWEZNQCLSA-N 1 0 263.385 2.250 10 0 CEAERO CCCCOCCOC[C@H](O)C[NH2+][C@H](C)CCCC ZINC000050888333 520788616 /nfs/dbraw/zinc/78/86/16/520788616.db2.gz DEMHYHUARUQVFC-HUUCEWRRSA-N 1 0 275.433 2.349 10 0 CEAERO CCN(CCOC)[C@H](C[NH2+]C1CC1)c1ccccc1 ZINC000052542817 521138793 /nfs/dbraw/zinc/13/87/93/521138793.db2.gz XAJDDVSAOPQGNZ-MRXNPFEDSA-N 1 0 262.397 2.448 10 0 CEAERO CCCC[C@H](C)NS(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000050888236 521151055 /nfs/dbraw/zinc/15/10/55/521151055.db2.gz JXWSDSRQVUYPMC-NSHDSACASA-N 1 0 270.398 2.002 10 0 CEAERO CCOC(=O)[C@H](CC[N@H+](C)C(CC)CC)NC1CC1 ZINC000062448833 521240609 /nfs/dbraw/zinc/24/06/09/521240609.db2.gz PEKVKWAYEACMKM-AWEZNQCLSA-N 1 0 270.417 2.181 10 0 CEAERO CCC(CC)N(CCOC)c1ncc(C[NH3+])s1 ZINC000054898388 521562122 /nfs/dbraw/zinc/56/21/22/521562122.db2.gz PLRJQSVAPQJCDN-UHFFFAOYSA-N 1 0 257.403 2.243 10 0 CEAERO C[NH2+]CC1(CN(C)c2ccc(C)cc2)CCOCC1 ZINC000052182958 521968956 /nfs/dbraw/zinc/96/89/56/521968956.db2.gz LUJVQTUENQNICW-UHFFFAOYSA-N 1 0 262.397 2.447 10 0 CEAERO CC[C@@H](C)C[NH2+]C[C@@H](O)c1ccc2c(c1)OCCO2 ZINC000054470267 521995118 /nfs/dbraw/zinc/99/51/18/521995118.db2.gz KOXZTDRMEHMEND-DGCLKSJQSA-N 1 0 265.353 2.127 10 0 CEAERO C[NH2+]C[C@@H](C(C)C)N(C)Cc1ccccc1OC ZINC000052542187 522024050 /nfs/dbraw/zinc/02/40/50/522024050.db2.gz IRNNGPWOXUWIEU-AWEZNQCLSA-N 1 0 250.386 2.371 10 0 CEAERO C[NH2+]C[C@@H](OC[C@@H]1CCCO1)c1cccc(OC)c1 ZINC000050494582 522035556 /nfs/dbraw/zinc/03/55/56/522035556.db2.gz JLLYHSLFPYZCOB-LSDHHAIUSA-N 1 0 265.353 2.151 10 0 CEAERO C[NH2+]C[C@H]1C[C@H]1c1ccc(OC)c(OC)c1OC ZINC000054588676 522098146 /nfs/dbraw/zinc/09/81/46/522098146.db2.gz HAIHAYGLEPMKPG-MWLCHTKSSA-N 1 0 251.326 2.035 10 0 CEAERO C[NH2+][C@@H](C)c1cnc(N2CCC(OC)CC2)s1 ZINC000054903184 522338102 /nfs/dbraw/zinc/33/81/02/522338102.db2.gz GEKDRRKFRXPLHZ-VIFPVBQESA-N 1 0 255.387 2.039 10 0 CEAERO C[NH2+][C@@H](C)c1nnc(-c2c(OC)cccc2OC)o1 ZINC000050618320 522339718 /nfs/dbraw/zinc/33/97/18/522339718.db2.gz VMJLUMXDASIDNW-QMMMGPOBSA-N 1 0 263.297 2.034 10 0 CEAERO C[NH2+][C@H](COC)Cc1ccccc1Br ZINC000049672373 522469077 /nfs/dbraw/zinc/46/90/77/522469077.db2.gz WDBHNJLHGHIQBM-JTQLQIEISA-N 1 0 258.159 2.226 10 0 CEAERO C[NH2+][C@H](CSC)c1ccc2c(c1)OCCCO2 ZINC000055229736 522470110 /nfs/dbraw/zinc/47/01/10/522470110.db2.gz LCTCHYOIENUODP-LLVKDONJSA-N 1 0 253.367 2.471 10 0 CEAERO Cc1cc(NCc2ccc3c(c2)C[NH2+]C3)nc(C)n1 ZINC000097830053 533999245 /nfs/dbraw/zinc/99/92/45/533999245.db2.gz NVSVHLIYMJHPSM-UHFFFAOYSA-N 1 0 254.337 2.309 10 0 CEAERO Cc1cc(C)nc(NCc2ccc3c(c2)C[NH2+]C3)n1 ZINC000097830145 534142272 /nfs/dbraw/zinc/14/22/72/534142272.db2.gz OWRNULBEULPAHR-UHFFFAOYSA-N 1 0 254.337 2.309 10 0 CEAERO Cc1ccccc1[C@@H](Sc1nncn1C)[C@@H](C)[NH3+] ZINC000043041024 518191090 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519346609 /nfs/dbraw/zinc/34/66/09/519346609.db2.gz FQVANZOVKSHXOA-CQSZACIVSA-N 1 0 252.402 2.413 10 0 CEAERO CC(C)Cc1ccc([C@@H]([NH3+])CN2CCN(C)C2=O)cc1 ZINC000052885760 519446558 /nfs/dbraw/zinc/44/65/58/519446558.db2.gz ONUQCWPMFZYFHT-HNNXBMFYSA-N 1 0 275.396 2.252 10 0 CEAERO CC(C)CCC[NH2+]CCn1cnc2ccsc2c1=O ZINC000053529502 519642007 /nfs/dbraw/zinc/64/20/07/519642007.db2.gz JCKKIRQRHPARDN-UHFFFAOYSA-N 1 0 279.409 2.484 10 0 CEAERO CC(C)N(CC[NH3+])C(=O)c1ccc2ncccc2c1 ZINC000061410399 519646043 /nfs/dbraw/zinc/64/60/43/519646043.db2.gz BADMXYVIOODTRV-UHFFFAOYSA-N 1 0 257.337 2.044 10 0 CEAERO CC(C)N(CC[NH2+]C[C@@H]1CCCO1)CC(F)(F)F ZINC000053389872 519648094 /nfs/dbraw/zinc/64/80/94/519648094.db2.gz RVTISZAWPATAOZ-NSHDSACASA-N 1 0 268.323 2.028 10 0 CEAERO CC(C)[NH2+]CC1(CN2CCO[C@H]3CCC[C@@H]32)CCOCC1 ZINC000052182847 519720319 /nfs/dbraw/zinc/72/03/19/519720319.db2.gz PMZXKJQVFPVUHM-HOTGVXAUSA-N 1 0 296.455 2.035 10 0 CEAERO CC(C)[NH2+]CCCS(=O)(=O)N(C)[C@H]1CCC[C@@H](C)C1 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519981378 /nfs/dbraw/zinc/98/13/78/519981378.db2.gz OTENKMHQGPNZEH-OAHLLOKOSA-N 1 0 273.384 2.231 10 0 CEAERO CC[NH2+]Cc1c(C)nn(C)c1N(CC)CC1CC1 ZINC000069238800 519982904 /nfs/dbraw/zinc/98/29/04/519982904.db2.gz MBXWTNDCWHTIJZ-UHFFFAOYSA-N 1 0 250.390 2.074 10 0 CEAERO CCC[NH2+][C@@H](C)CCCn1c(C)cc(C)nc1=O ZINC000045603669 519985045 /nfs/dbraw/zinc/98/50/45/519985045.db2.gz ZGNRRYMUWDUIQR-NSHDSACASA-N 1 0 251.374 2.028 10 0 CEAERO CCC[NH2+][C@@H](C)c1cnc(N(C)CCOC)s1 ZINC000054909092 519990577 /nfs/dbraw/zinc/99/05/77/519990577.db2.gz KQDKCLJTTZCTCT-JTQLQIEISA-N 1 0 257.403 2.286 10 0 CEAERO CC[NH2+]Cc1cc(Cl)ccc1OC[C@@H](O)COCC ZINC000069274963 519990687 /nfs/dbraw/zinc/99/06/87/519990687.db2.gz IJZCJRWPBGULOT-ZDUSSCGKSA-N 1 0 287.787 2.226 10 0 CEAERO CCCN[C@@H](CC[NH+]1CCC(CC)CC1)C(=O)OCC ZINC000062526322 520000075 /nfs/dbraw/zinc/00/00/75/520000075.db2.gz XTMOGLLECPTSIV-HNNXBMFYSA-N 1 0 284.444 2.430 10 0 CEAERO CCCN[C@@H](CC[NH+]1[C@@H](C)CCC[C@@H]1C)C(=O)OC ZINC000062443593 520002867 /nfs/dbraw/zinc/00/28/67/520002867.db2.gz PJPSWAZDKIQZRV-IHRRRGAJSA-N 1 0 270.417 2.181 10 0 CEAERO CC[NH2+]Cc1cccc(OC)c1OCc1ncccn1 ZINC000054458443 520006998 /nfs/dbraw/zinc/00/69/98/520006998.db2.gz ZHTRNBXJHSCTAL-UHFFFAOYSA-N 1 0 273.336 2.174 10 0 CEAERO CCC[NH2+][C@@H](Cc1cccc(Cl)c1)CS(C)(=O)=O ZINC000052789171 520012781 /nfs/dbraw/zinc/01/27/81/520012781.db2.gz IZFSIECCOBVLLC-ZDUSSCGKSA-N 1 0 289.828 2.295 10 0 CEAERO CCC[NH2+][C@@H](c1ccc2c(c1)OCCO2)c1cnccn1 ZINC000055224742 520017791 /nfs/dbraw/zinc/01/77/91/520017791.db2.gz OXMMCWLAWIWOFM-INIZCTEOSA-N 1 0 285.347 2.337 10 0 CEAERO CCC[NH2+][C@@H]1CCCc2cc(OC[C@H](O)COC)ccc21 ZINC000069053744 520022724 /nfs/dbraw/zinc/02/27/24/520022724.db2.gz GLKIFFMAIQLMFT-RHSMWYFYSA-N 1 0 293.407 2.450 10 0 CEAERO CCC[NH2+][C@@H]1CCN(c2ccc(F)c(F)c2F)C1=O ZINC000049647355 520025399 /nfs/dbraw/zinc/02/53/99/520025399.db2.gz GUNHYEZETACBET-SECBINFHSA-N 1 0 272.270 2.209 10 0 CEAERO CCC[NH2+][C@@H]1COc2cc(OCC(=O)OC(C)C)ccc21 ZINC000062804965 520027383 /nfs/dbraw/zinc/02/73/83/520027383.db2.gz RLOSKIZRWWVFDI-CQSZACIVSA-N 1 0 293.363 2.450 10 0 CEAERO CCC[NH2+][C@@H]1CCc2c1cccc2OC[C@@H](C)C(N)=O ZINC000062800038 520027498 /nfs/dbraw/zinc/02/74/98/520027498.db2.gz VJTUBAZZXQGJIV-BXUZGUMPSA-N 1 0 276.380 2.174 10 0 CEAERO CC[NH2+]Cc1sc(N2C[C@H](C)OC[C@@H]2C)nc1C ZINC000054997260 520034507 /nfs/dbraw/zinc/03/45/07/520034507.db2.gz CUUNJJASUPITGE-UWVGGRQHSA-N 1 0 269.414 2.175 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N(C)Cc1ccc(F)cc1F ZINC000061271962 520060510 /nfs/dbraw/zinc/06/05/10/520060510.db2.gz RBORRHMHIPRRMU-JTQLQIEISA-N 1 0 270.323 2.311 10 0 CEAERO CCC[NH2+][C@H](C)C[C@@H](C)N1CCN(CC(F)(F)F)CC1 ZINC000068654902 520062399 /nfs/dbraw/zinc/06/23/99/520062399.db2.gz FKNBDVLFQLEQMA-CHWSQXEVSA-N 1 0 295.393 2.333 10 0 CEAERO CCC[NH2+][C@H](C)CCc1ccc(OC[C@@H](O)COC)cc1 ZINC000069053563 520062586 /nfs/dbraw/zinc/06/25/86/520062586.db2.gz GDUPTVRUTLHEGP-ZBFHGGJFSA-N 1 0 295.423 2.393 10 0 CEAERO CCC[NH2+][C@H](C)c1ccc(NC(=O)[C@H]2COCCO2)cc1 ZINC000055297691 520065871 /nfs/dbraw/zinc/06/58/71/520065871.db2.gz DEHABCYRLLJQMU-IUODEOHRSA-N 1 0 292.379 2.101 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1cc(C(=O)N(C)C)ccc1C ZINC000061270680 520066348 /nfs/dbraw/zinc/06/63/48/520066348.db2.gz VVOVUNLQVLHCQB-LBPRGKRZSA-N 1 0 291.395 2.023 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000061270912 520066792 /nfs/dbraw/zinc/06/67/92/520066792.db2.gz UZPOCXQEPLXERN-NWDGAFQWSA-N 1 0 294.395 2.269 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N[C@H](C)c1cc(F)ccc1OC ZINC000061271186 520067132 /nfs/dbraw/zinc/06/71/32/520067132.db2.gz ZCNVUSGBQDVPTH-WDEREUQCSA-N 1 0 282.359 2.400 10 0 CEAERO CCC[NH2+][C@H](C)c1sc(N2CCOCC2)nc1C ZINC000054900028 520067603 /nfs/dbraw/zinc/06/76/03/520067603.db2.gz DFXJVEFMOMJVTQ-SNVBAGLBSA-N 1 0 269.414 2.349 10 0 CEAERO CCOCCc1nc(C2([NH3+])CCC(CC)CC2)no1 ZINC000053734154 520069031 /nfs/dbraw/zinc/06/90/31/520069031.db2.gz MLEBCWQXOCUBCU-UHFFFAOYSA-N 1 0 267.373 2.403 10 0 CEAERO CCC[NH2+][C@H](CCC)CN1CCN(c2ccccn2)CC1 ZINC000050184625 520069113 /nfs/dbraw/zinc/06/91/13/520069113.db2.gz JCMSPOQMUBINGN-MRXNPFEDSA-N 1 0 290.455 2.372 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000061270571 520069495 /nfs/dbraw/zinc/06/94/95/520069495.db2.gz ITGHYGRZBAZKBQ-ZDUSSCGKSA-N 1 0 290.411 2.399 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1cccc(C(=O)NC(C)C)c1 ZINC000061270657 520069576 /nfs/dbraw/zinc/06/95/76/520069576.db2.gz DSALUGCTKAVYED-LBPRGKRZSA-N 1 0 291.395 2.151 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1ccc(OCC)c(OC)c1 ZINC000061270833 520069992 /nfs/dbraw/zinc/06/99/92/520069992.db2.gz NXEGJVAGENIQKZ-NSHDSACASA-N 1 0 280.368 2.421 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000061273553 520070851 /nfs/dbraw/zinc/07/08/51/520070851.db2.gz MXGJDLVBBPFMMG-NSHDSACASA-N 1 0 289.379 2.362 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1nc(C2CC2)cs1 ZINC000061274171 520071121 /nfs/dbraw/zinc/07/11/21/520071121.db2.gz 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/nfs/dbraw/zinc/10/13/42/520101342.db2.gz XEWOKGPMMAKKQP-AWEZNQCLSA-N 1 0 258.406 2.217 10 0 CEAERO CC[NH2+][C@@H](Cc1cnn(C)c1)Cc1ccccc1F ZINC000050543112 520105446 /nfs/dbraw/zinc/10/54/46/520105446.db2.gz TVIVKEZRSMNUHX-AWEZNQCLSA-N 1 0 261.344 2.323 10 0 CEAERO CC[NH2+][C@@H](c1cc(C)ccc1OCC)[C@@H]1COCCO1 ZINC000055301429 520107529 /nfs/dbraw/zinc/10/75/29/520107529.db2.gz RLEFWSXZMKGCRC-HOTGVXAUSA-N 1 0 279.380 2.460 10 0 CEAERO CCN(C(=O)c1cc[nH+]c(NN)c1)c1ccc(C)cc1 ZINC000051114015 520109768 /nfs/dbraw/zinc/10/97/68/520109768.db2.gz UNOFRWKDTOFEGK-UHFFFAOYSA-N 1 0 270.336 2.342 10 0 CEAERO CC[NH2+][C@@H]1CCCc2cc(O[C@H](CC)C(N)=O)ccc21 ZINC000061676035 520118870 /nfs/dbraw/zinc/11/88/70/520118870.db2.gz DSXALTUOFVYWFJ-HUUCEWRRSA-N 1 0 276.380 2.316 10 0 CEAERO CC[NH2+][C@@H]1CCOC[C@H]1OCc1ccccc1F ZINC000069283359 520120605 /nfs/dbraw/zinc/12/06/05/520120605.db2.gz MOUYDLACVGXFEE-ZIAGYGMSSA-N 1 0 253.317 2.109 10 0 CEAERO CCCN[C@](C[NH+]1CCC(C)CC1)(C(=O)OC)C1CC1 ZINC000069092484 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CCCCC[N@H+](CC[C@@H](NC(C)C)C(N)=O)C(C)C ZINC000062463178 520173699 /nfs/dbraw/zinc/17/36/99/520173699.db2.gz DVGJVVFMQJOIHR-CQSZACIVSA-N 1 0 271.449 2.129 10 0 CEAERO CC[NH2+][C@H](C)c1ccccc1OCCCC(=O)NC ZINC000068816331 520181542 /nfs/dbraw/zinc/18/15/42/520181542.db2.gz XKYYLJSKKWLMRW-GFCCVEGCSA-N 1 0 264.369 2.262 10 0 CEAERO CCCNc1ccnc(C(=O)N2CCC[C@@H]2C[NH+](C)C)c1 ZINC000061655983 520182667 /nfs/dbraw/zinc/18/26/67/520182667.db2.gz WZPLBPKAUZPOQY-CQSZACIVSA-N 1 0 290.411 2.070 10 0 CEAERO CCCNc1ncccc1C(=O)N[C@H](C[NH+](C)C)C(C)C ZINC000050779694 520193868 /nfs/dbraw/zinc/19/38/68/520193868.db2.gz SKGKXQOGQJPUDV-CQSZACIVSA-N 1 0 292.427 2.220 10 0 CEAERO CCCNc1ncccc1C[N@H+](CCOC)[C@@H](C)COC ZINC000052729027 520194024 /nfs/dbraw/zinc/19/40/24/520194024.db2.gz AVTTUHOPVMPGTH-AWEZNQCLSA-N 1 0 295.427 2.387 10 0 CEAERO CC[NH2+][C@H](COc1c(OC)cccc1OC)C1CC1 ZINC000069080211 520199309 /nfs/dbraw/zinc/19/93/09/520199309.db2.gz COOPCYMPANNSIN-GFCCVEGCSA-N 1 0 265.353 2.471 10 0 CEAERO 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2.096 10 0 CEAERO CCN[C@](C[N@H+](CC)CC(C)C)(C(=O)OCC)C1CC1 ZINC000069096839 520244228 /nfs/dbraw/zinc/24/42/28/520244228.db2.gz JRDKVFWJRLFWBY-INIZCTEOSA-N 1 0 284.444 2.286 10 0 CEAERO CCN[C@](C[N@@H+]1CCCC1(C)C)(C(=O)OCC)C1CC1 ZINC000069232886 520247330 /nfs/dbraw/zinc/24/73/30/520247330.db2.gz QAZOZNCIZPPKPP-INIZCTEOSA-N 1 0 282.428 2.182 10 0 CEAERO CCNc1ccc(C(=O)N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061656055 520283622 /nfs/dbraw/zinc/28/36/22/520283622.db2.gz GRHLPKZBVBQISF-OAHLLOKOSA-N 1 0 275.396 2.285 10 0 CEAERO CCO[C@@H]1CCCN(c2ncc([C@@H](C)[NH2+]C)s2)C1 ZINC000054909592 520322377 /nfs/dbraw/zinc/32/23/77/520322377.db2.gz SWYFJZQDKITLJA-GHMZBOCLSA-N 1 0 269.414 2.429 10 0 CEAERO CCO[C@@H]1CCCN(c2nc(C)c(C[NH2+]C)s2)C1 ZINC000055002331 520322962 /nfs/dbraw/zinc/32/29/62/520322962.db2.gz VMKCCAZCQHZXBU-LLVKDONJSA-N 1 0 269.414 2.176 10 0 CEAERO CCCOc1ccc(O[C@@H](C)C[C@](C)([NH2+]C)C(N)=O)cc1 ZINC000068657277 520410108 /nfs/dbraw/zinc/41/01/08/520410108.db2.gz YMIFXQBPNMQCTF-LRDDRELGSA-N 1 0 294.395 2.096 10 0 CEAERO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[C@@H](C[NH3+])C1 ZINC000055162113 520417305 /nfs/dbraw/zinc/41/73/05/520417305.db2.gz MCGLSVJPUVIORZ-NXEZZACHSA-N 1 0 266.307 2.162 10 0 CEAERO CCCOc1cccc(C(=O)N(C)[C@@H]2CCC[NH2+]C2)c1 ZINC000061667409 520438443 /nfs/dbraw/zinc/43/84/43/520438443.db2.gz CSFPJPCPAQTWOB-CQSZACIVSA-N 1 0 276.380 2.299 10 0 CEAERO CC1(C)CN(Cc2ccoc2C[NH2+]C2CC2)CCO1 ZINC000052481809 520487972 /nfs/dbraw/zinc/48/79/72/520487972.db2.gz OTUMIXGPYCQYSH-UHFFFAOYSA-N 1 0 264.369 2.142 10 0 CEAERO CCCC[NH+](CCCC)CC[C@H](NCC)C(=O)OC ZINC000062444489 520494145 /nfs/dbraw/zinc/49/41/45/520494145.db2.gz GMPUCSNIVWNXHC-AWEZNQCLSA-N 1 0 272.433 2.430 10 0 CEAERO CCCCN(CCO)c1cc(C(N)=[NH2+])c2ccccc2n1 ZINC000068797902 520526184 /nfs/dbraw/zinc/52/61/84/520526184.db2.gz WDFCIEUMPFDHLB-UHFFFAOYSA-N 1 0 286.379 2.118 10 0 CEAERO CCCC[N@H+](CC[C@@H]([NH2+]CC)C(=O)[O-])[C@@H](C)CC ZINC000062527614 520539285 /nfs/dbraw/zinc/53/92/85/520539285.db2.gz XPTTVLHKERIOSH-QWHCGFSZSA-N 1 0 258.406 2.340 10 0 CEAERO CCCC[N@H+](C[C@](NC1CC1)(C(=O)OC)C1CC1)C1CC1 ZINC000069131799 520542133 /nfs/dbraw/zinc/54/21/33/520542133.db2.gz HTTOQCMWQPCENN-QGZVFWFLSA-N 1 0 294.439 2.325 10 0 CEAERO CC1(C)Cc2cccc(OC[C@@H]3CC[C@H](C[NH3+])O3)c2O1 ZINC000052654395 520585159 /nfs/dbraw/zinc/58/51/59/520585159.db2.gz DKVWKIPYDFQXSF-OLZOCXBDSA-N 1 0 277.364 2.285 10 0 CEAERO CC[NH+](CC)CCCNC(=O)c1cnc(NC)c(Cl)c1 ZINC000050728676 520620434 /nfs/dbraw/zinc/62/04/34/520620434.db2.gz LFEQZHHUDGPYGG-UHFFFAOYSA-N 1 0 298.818 2.238 10 0 CEAERO CC1(C)[C@H]2CC[C@]1(C)[C@H]([NH2+][C@@H]1CCCS(=O)(=O)C1)C2 ZINC000069135928 520685265 /nfs/dbraw/zinc/68/52/65/520685265.db2.gz JFSNOYZZSKZJGY-KYEXWDHISA-N 1 0 285.453 2.368 10 0 CEAERO CCOC(=O)CC[C@H]([NH3+])Cc1cccc(F)c1F ZINC000069605536 520713108 /nfs/dbraw/zinc/71/31/08/520713108.db2.gz HGEWHOHKKHBMPV-JTQLQIEISA-N 1 0 257.280 2.178 10 0 CEAERO CCOC(=O)CC[C@H]([NH3+])Cc1ccc2c(c1)OCCCO2 ZINC000069606076 520713870 /nfs/dbraw/zinc/71/38/70/520713870.db2.gz ZKQWXRGTNUUQLL-ZDUSSCGKSA-N 1 0 293.363 2.061 10 0 CEAERO CCOc1cc([C@H](O)[C@H]([NH3+])CC(C)C)ccc1O ZINC000054929459 520780817 /nfs/dbraw/zinc/78/08/17/520780817.db2.gz DYJJOIUYLBZUDF-RISCZKNCSA-N 1 0 253.342 2.198 10 0 CEAERO CCC[C@@H]([NH2+][C@H](C)C(=O)NC(=O)NC)c1cccs1 ZINC000049544527 520790889 /nfs/dbraw/zinc/79/08/89/520790889.db2.gz DGNXTUHJYJXUBS-NXEZZACHSA-N 1 0 283.397 2.023 10 0 CEAERO CCCCOCCOc1cc(C[NH3+])ccc1OC ZINC000049261401 520792447 /nfs/dbraw/zinc/79/24/47/520792447.db2.gz ISVPRLUCWLMWJM-UHFFFAOYSA-N 1 0 253.342 2.349 10 0 CEAERO CC[NH+](CC)[C@H]1CCN(CC(=O)c2cc(F)ccc2O)C1 ZINC000062966961 520873147 /nfs/dbraw/zinc/87/31/47/520873147.db2.gz MVYANXPWONRNKT-ZDUSSCGKSA-N 1 0 294.370 2.130 10 0 CEAERO CCC[C@@]1(C(=O)N(CC)Cc2ccncc2)CC[NH2+]C1 ZINC000062896220 520940568 /nfs/dbraw/zinc/94/05/68/520940568.db2.gz UHXCXXUOKGFYKJ-MRXNPFEDSA-N 1 0 275.396 2.210 10 0 CEAERO CCOC(=O)N1CC[N@H+](CCc2ccccc2)[C@H](C)C1 ZINC000062691166 520953492 /nfs/dbraw/zinc/95/34/92/520953492.db2.gz OTKCGDPIOLGIEX-CQSZACIVSA-N 1 0 276.380 2.392 10 0 CEAERO CC[N@H+](CC1CC1)[C@H](CN)c1ccc2c(c1)OCCO2 ZINC000069237329 520966493 /nfs/dbraw/zinc/96/64/93/520966493.db2.gz SJRBBEUEDAQOAD-CQSZACIVSA-N 1 0 276.380 2.190 10 0 CEAERO CCN(CC1CC1)[C@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000069237398 520967257 /nfs/dbraw/zinc/96/72/57/520967257.db2.gz SEHFDRRKZRCNKF-CYBMUJFWSA-N 1 0 262.353 2.147 10 0 CEAERO CC[N@H+](CC1CC1)[C@H](C)C(=O)Nc1cc(N)ccc1OC ZINC000069237161 520967477 /nfs/dbraw/zinc/96/74/77/520967477.db2.gz KZYCJZXOJGGCPL-LLVKDONJSA-N 1 0 291.395 2.336 10 0 CEAERO CCCC[C@@H](C[NH2+]CC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000052952097 521048451 /nfs/dbraw/zinc/04/84/51/521048451.db2.gz DWDBGFZZEFBWRB-KBPBESRZSA-N 1 0 275.458 2.473 10 0 CEAERO CCN(CC[NH2+]Cc1sccc1C)CCOC ZINC000053436978 521077965 /nfs/dbraw/zinc/07/79/65/521077965.db2.gz PLOTYTNZSNWZNG-UHFFFAOYSA-N 1 0 256.415 2.114 10 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JKICLJCKLYPHAK-CABCVRRESA-N 1 0 284.444 2.428 10 0 CEAERO CCOc1ccc([C@H]2[C@H](C[NH2+]C)OCCN2CC)cc1 ZINC000070288111 521275291 /nfs/dbraw/zinc/27/52/91/521275291.db2.gz GQERXHNYUVHIOU-HOTGVXAUSA-N 1 0 278.396 2.067 10 0 CEAERO CCN(Cc1cc(C)c(C[NH3+])o1)CC(F)(F)F ZINC000052503104 521287528 /nfs/dbraw/zinc/28/75/28/521287528.db2.gz NFXYQGKCBHTQGV-UHFFFAOYSA-N 1 0 250.264 2.431 10 0 CEAERO CCC[C@]1(C(=O)N[C@H]2CCCC[C@@H]2C)CC[NH2+]C1 ZINC000062889312 521300276 /nfs/dbraw/zinc/30/02/76/521300276.db2.gz ZXDXCZOTAFSISP-YDHLFZDLSA-N 1 0 252.402 2.461 10 0 CEAERO CCOc1cccc(-c2ncc(C[C@H](C)[NH3+])cn2)c1 ZINC000054857876 521312677 /nfs/dbraw/zinc/31/26/77/521312677.db2.gz DYGONKKEAHAMNY-NSHDSACASA-N 1 0 257.337 2.432 10 0 CEAERO CCOC(=O)[C@](C)([NH3+])CCCCn1ncc2ccccc21 ZINC000050528472 521324163 /nfs/dbraw/zinc/32/41/63/521324163.db2.gz LAYVCSQWQWHFJL-MRXNPFEDSA-N 1 0 289.379 2.487 10 0 CEAERO CCOc1cccc(C[NH2+]C(C)(C)C)c1O[C@H](C)C(N)=O ZINC000062732680 521358428 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AEGGMYUBWHLQJV-YVEFUNNKSA-N 1 0 290.407 2.402 10 0 CEAERO C[NH2+]C(C)(C)C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000061627018 521936206 /nfs/dbraw/zinc/93/62/06/521936206.db2.gz MUEYURDFCNSNEW-UHFFFAOYSA-N 1 0 274.286 2.320 10 0 CEAERO C[NH2+]CC1(CN(C)Cc2ccoc2C)CCOCC1 ZINC000052197887 521968464 /nfs/dbraw/zinc/96/84/64/521968464.db2.gz VLIBNGQCNVHHAY-UHFFFAOYSA-N 1 0 266.385 2.036 10 0 CEAERO C[NH2+]CCc1nc(-c2ccc3ncccc3c2)no1 ZINC000062801549 522020539 /nfs/dbraw/zinc/02/05/39/522020539.db2.gz ALLVAIOHLKSEMN-UHFFFAOYSA-N 1 0 254.293 2.047 10 0 CEAERO C[NH2+]CCc1nnc(-c2c(F)cccc2Cl)o1 ZINC000050619491 522021495 /nfs/dbraw/zinc/02/14/95/522021495.db2.gz VRNIJJDIOMUTGY-UHFFFAOYSA-N 1 0 255.680 2.291 10 0 CEAERO C[NH2+]C[C@@H](C)N1CCN(c2ccccc2Cl)CC1 ZINC000052443357 522032276 /nfs/dbraw/zinc/03/22/76/522032276.db2.gz HEKAKWHFMKUYPM-GFCCVEGCSA-N 1 0 267.804 2.070 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)C1 ZINC000163606433 522053579 /nfs/dbraw/zinc/05/35/79/522053579.db2.gz SHOXFGXZPHSFRO-YRGRVCCFSA-N 1 0 294.345 2.231 10 0 CEAERO C[NH+](C)[C@@H]1CCN(c2cc(Br)ccc2CO)C1 ZINC000062966376 522054052 /nfs/dbraw/zinc/05/40/52/522054052.db2.gz VDVKHRGEXDOCME-GFCCVEGCSA-N 1 0 299.212 2.082 10 0 CEAERO CC[C@@H](C)N(C)c1ncc(C[NH2+]CCOC)s1 ZINC000054902722 522067218 /nfs/dbraw/zinc/06/72/18/522067218.db2.gz RQCLQFCWXULBJI-SNVBAGLBSA-N 1 0 257.403 2.114 10 0 CEAERO C[NH2+]C[C@H](Cc1cc(C)cc(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000052950054 522074013 /nfs/dbraw/zinc/07/40/13/522074013.db2.gz JVRDUPCHOOQAOM-HOTGVXAUSA-N 1 0 295.448 2.116 10 0 CEAERO CC[C@@H](C)[N@H+](CCOC)Cc1ccc(NC)nc1 ZINC000050817003 522092003 /nfs/dbraw/zinc/09/20/03/522092003.db2.gz SHVZHNMBXOJETO-GFCCVEGCSA-N 1 0 251.374 2.370 10 0 CEAERO CCc1csc(N(CCC[NH3+])Cc2cccnc2)n1 ZINC000061894172 522102797 /nfs/dbraw/zinc/10/27/97/522102797.db2.gz IAZYBBRSLNBHSF-UHFFFAOYSA-N 1 0 276.409 2.456 10 0 CEAERO C[NH2+]Cc1ccc(-n2nnc3ccccc32)cc1C ZINC000050585183 522115784 /nfs/dbraw/zinc/11/57/84/522115784.db2.gz ZQIJOWFSZNTCLC-UHFFFAOYSA-N 1 0 252.321 2.448 10 0 CEAERO C[NH2+]Cc1sc(N(C)C[C@H]2CCCCO2)nc1C ZINC000054998746 522166925 /nfs/dbraw/zinc/16/69/25/522166925.db2.gz UGIQSDQFUCBUQK-LLVKDONJSA-N 1 0 269.414 2.176 10 0 CEAERO COC[C@@H](C)N(C)c1ccc(C(N)=[NH2+])cc1Cl ZINC000062794189 522221851 /nfs/dbraw/zinc/22/18/51/522221851.db2.gz XFCCHUURVVFIMW-MRVPVSSYSA-N 1 0 255.749 2.095 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(F)cc1O[C@H](C)C(=O)NC1CC1 ZINC000062746504 522332626 /nfs/dbraw/zinc/33/26/26/522332626.db2.gz KIVVYXBSMJTCPF-VHSXEESVSA-N 1 0 280.343 2.152 10 0 CEAERO CC[C@H]([NH3+])Cc1cccc(OC)c1OCc1ncccn1 ZINC000054461830 522335120 /nfs/dbraw/zinc/33/51/20/522335120.db2.gz OMJDTRUNIDEFRQ-ZDUSSCGKSA-N 1 0 287.363 2.344 10 0 CEAERO CC[C@H]([NH3+])Cc1noc([C@@H](OC)c2ccccc2)n1 ZINC000054184471 522337024 /nfs/dbraw/zinc/33/70/24/522337024.db2.gz NYCODHMNWFAHTI-AAEUAGOBSA-N 1 0 261.325 2.085 10 0 CEAERO C[NH2+][C@@H](CCN1CCN(c2ccccn2)CC1)C(C)(C)C ZINC000054027229 522346835 /nfs/dbraw/zinc/34/68/35/522346835.db2.gz MALBIUJNCOADDE-HNNXBMFYSA-N 1 0 290.455 2.228 10 0 CEAERO C[NH2+][C@@H](c1ccc2c(c1)n(C)c(=O)n2C)C(C)(C)C ZINC000051392516 522372500 /nfs/dbraw/zinc/37/25/00/522372500.db2.gz FDHNEDVXKZMVEE-ZDUSSCGKSA-N 1 0 261.369 2.184 10 0 CEAERO C[NH2+][C@@H]1CCc2c1cccc2OCc1nnc(C)o1 ZINC000062799057 522398852 /nfs/dbraw/zinc/39/88/52/522398852.db2.gz YWVPHTAUQUDJBL-GFCCVEGCSA-N 1 0 259.309 2.164 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2CCC[C@H]1N1CCCOCC1 ZINC000061917573 522400281 /nfs/dbraw/zinc/40/02/81/522400281.db2.gz RYIWANARZHLVRF-IAGOWNOFSA-N 1 0 274.408 2.374 10 0 CEAERO C[NH2+][C@@H]1COc2cc(OCc3cc(C)no3)ccc21 ZINC000062804184 522400365 /nfs/dbraw/zinc/40/03/65/522400365.db2.gz BUPPQMJIILZIPH-CYBMUJFWSA-N 1 0 260.293 2.215 10 0 CEAERO C[NH2+][C@@H]1COc2cc(O[C@H](C)C(=O)NC(C)(C)C)ccc21 ZINC000062804386 522400546 /nfs/dbraw/zinc/40/05/46/522400546.db2.gz ZMDXOQDSPPVBLK-ZWNOBZJWSA-N 1 0 292.379 2.022 10 0 CEAERO C[NH2+][C@@](C)(C[C@@H](C)Oc1ccccc1C(C)C)C(N)=O 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CNc1c(F)cc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1F ZINC000063007235 522543637 /nfs/dbraw/zinc/54/36/37/522543637.db2.gz FTPTVFXMPUFSNZ-NSHDSACASA-N 1 0 297.349 2.173 10 0 CEAERO CC[C@H]([NH2+]C)c1c(C)nn(C[C@H]2CCCO2)c1C ZINC000054718558 522556158 /nfs/dbraw/zinc/55/61/58/522556158.db2.gz YIUDIICSLFKOLV-OLZOCXBDSA-N 1 0 251.374 2.349 10 0 CEAERO COC[C@H](C)[N@H+](C)Cc1cc2ccc(OC)cc2nc1N ZINC000050815169 522593741 /nfs/dbraw/zinc/59/37/41/522593741.db2.gz LGHFXRFBNSTQMI-NSHDSACASA-N 1 0 289.379 2.292 10 0 CEAERO CC[C@@H]([NH3+])Cc1cnn(Cc2cc(F)ccc2F)c1 ZINC000054741650 522644954 /nfs/dbraw/zinc/64/49/54/522644954.db2.gz KVMSITPPKHPVED-CYBMUJFWSA-N 1 0 265.307 2.489 10 0 CEAERO C[N@H+](CCCNCc1ncccn1)Cc1ccccc1 ZINC000054458919 522771331 /nfs/dbraw/zinc/77/13/31/522771331.db2.gz HPUBPSHWZQOXAY-UHFFFAOYSA-N 1 0 270.380 2.088 10 0 CEAERO C[N@H+](CCCNCc1ccncn1)C1CCCCC1 ZINC000054789695 522771352 /nfs/dbraw/zinc/77/13/52/522771352.db2.gz BKKWZJKENJPMNM-UHFFFAOYSA-N 1 0 262.401 2.221 10 0 CEAERO CN(CC[NH+]1CCCC1)Cc1ccc(N)c2cccnc12 ZINC000063050659 522828480 /nfs/dbraw/zinc/82/84/80/522828480.db2.gz LSUMJRBGGYSNHQ-UHFFFAOYSA-N 1 0 284.407 2.345 10 0 CEAERO CC[C@@H]([NH2+][C@H](C)C(=O)N1CCOCC1)C1CCCCC1 ZINC000052339512 522930455 /nfs/dbraw/zinc/93/04/55/522930455.db2.gz BKYAYBCZXZHCIB-UKRRQHHQSA-N 1 0 282.428 2.182 10 0 CEAERO COC(=O)CCC[C@@H]([NH3+])c1cc(OC)c(OC)cc1F ZINC000061561773 523040741 /nfs/dbraw/zinc/04/07/41/523040741.db2.gz QLAHIGIHXUVVPY-LLVKDONJSA-N 1 0 285.315 2.186 10 0 CEAERO CC[C@@H](Oc1ccc2ccccc2c1C[NH2+]C)C(N)=O ZINC000061675937 523046273 /nfs/dbraw/zinc/04/62/73/523046273.db2.gz NXAYBLXTAUNNOX-CQSZACIVSA-N 1 0 272.348 2.202 10 0 CEAERO CC[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000069136231 523063061 /nfs/dbraw/zinc/06/30/61/523063061.db2.gz NGBAJYNUPFVNGF-YNEHKIRRSA-N 1 0 259.415 2.122 10 0 CEAERO COCc1cccc(O[C@@H](CC[NH3+])C(F)(F)F)c1 ZINC000070094974 523083370 /nfs/dbraw/zinc/08/33/70/523083370.db2.gz BATZFAGDNYSMKZ-NSHDSACASA-N 1 0 263.259 2.492 10 0 CEAERO COCc1ccccc1NC(=O)C[C@@H]1CCCC[NH2+]1 ZINC000049512016 523113778 /nfs/dbraw/zinc/11/37/78/523113778.db2.gz LTIZBGNSSCGPFX-ZDUSSCGKSA-N 1 0 262.353 2.304 10 0 CEAERO COC(=O)COc1cccc(C[NH2+]C(C)(C)C)c1 ZINC000062731336 523232901 /nfs/dbraw/zinc/23/29/01/523232901.db2.gz FCROMGJLRPUYLW-UHFFFAOYSA-N 1 0 251.326 2.127 10 0 CEAERO CC[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](C)[C@H]([NH3+])C2)C1 ZINC000055128550 523239820 /nfs/dbraw/zinc/23/98/20/523239820.db2.gz QUFDWCCGEGVSGB-REWJHTLYSA-N 1 0 252.402 2.399 10 0 CEAERO CCn1c(S[C@@H](c2sccc2C)[C@H](C)[NH3+])n[nH]c1=O ZINC000061594290 523245506 /nfs/dbraw/zinc/24/55/06/523245506.db2.gz OGTDXSRNHOGOIY-WCBMZHEXSA-N 1 0 298.437 2.142 10 0 CEAERO CN(Cc1ccc(F)cc1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054291207 523247048 /nfs/dbraw/zinc/24/70/48/523247048.db2.gz DJPFPMHSXKZZCD-CYBMUJFWSA-N 1 0 264.344 2.174 10 0 CEAERO CCn1c2cccc(F)c2nc1[C@H]([NH3+])CCOC ZINC000052785261 523271930 /nfs/dbraw/zinc/27/19/30/523271930.db2.gz KPONGDOMRZNHTK-SNVBAGLBSA-N 1 0 251.305 2.232 10 0 CEAERO CC[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc(C[NH3+])c2)C1 ZINC000068602168 523305230 /nfs/dbraw/zinc/30/52/30/523305230.db2.gz GJJHVYPHPCSICF-OCCSQVGLSA-N 1 0 296.436 2.392 10 0 CEAERO CC[C@H]1COCCN1Cc1cc(C[NH2+]C(C)(C)C)no1 ZINC000052481504 523335711 /nfs/dbraw/zinc/33/57/11/523335711.db2.gz KMESAOLLABTRAF-ZDUSSCGKSA-N 1 0 281.400 2.174 10 0 CEAERO CC[C@H]1COCCN1Cc1occc1C[NH2+]C(C)C ZINC000052481432 523335824 /nfs/dbraw/zinc/33/58/24/523335824.db2.gz KWCJYMNCUACQJN-AWEZNQCLSA-N 1 0 266.385 2.388 10 0 CEAERO CN(Cc1ccccc1)C(=O)[C@H](C[NH3+])c1ccccc1 ZINC000061610771 523337923 /nfs/dbraw/zinc/33/79/23/523337923.db2.gz HWSQHKHCDXKLEO-MRXNPFEDSA-N 1 0 268.360 2.388 10 0 CEAERO CC[C@H]1COCCN1c1nc2c(s1)[C@H]([NH3+])CCC2 ZINC000054896011 523338132 /nfs/dbraw/zinc/33/81/32/523338132.db2.gz XBAHSSPGVHDRCF-VHSXEESVSA-N 1 0 267.398 2.094 10 0 CEAERO CC[C@H]1CO[C@@H](C)CN1Cc1cc(C[NH3+])oc1C ZINC000052571058 523344646 /nfs/dbraw/zinc/34/46/46/523344646.db2.gz RLTUJPFTXNLYBK-GWCFXTLKSA-N 1 0 252.358 2.046 10 0 CEAERO CC[C@@H]1CC[C@H]([NH3+])[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000061702556 523368164 /nfs/dbraw/zinc/36/81/64/523368164.db2.gz DWLTZYFNNKCMAR-KWCYVHTRSA-N 1 0 267.394 2.366 10 0 CEAERO CCn1cc(CN2C[C@@H](C(C)C)[NH2+]C[C@@H]2C(C)C)cn1 ZINC000068702844 523376541 /nfs/dbraw/zinc/37/65/41/523376541.db2.gz MMVFARJYSLNYSJ-JKSUJKDBSA-N 1 0 278.444 2.357 10 0 CEAERO CCn1cc(C[C@H](Cc2cccc(F)c2)[NH2+]C)cn1 ZINC000050542990 523395590 /nfs/dbraw/zinc/39/55/90/523395590.db2.gz XBNSFGDZHWHSQS-HNNXBMFYSA-N 1 0 261.344 2.415 10 0 CEAERO COCCCOCc1cc(C[NH2+]C(C)(C)C)no1 ZINC000052597646 523404231 /nfs/dbraw/zinc/40/42/31/523404231.db2.gz UMLNCGXNAJVNAL-UHFFFAOYSA-N 1 0 256.346 2.116 10 0 CEAERO COCCCOc1ccc(CC[NH3+])cc1Br ZINC000062703798 523414768 /nfs/dbraw/zinc/41/47/68/523414768.db2.gz UUOFIAFTNKOSMJ-UHFFFAOYSA-N 1 0 288.185 2.366 10 0 CEAERO CN(Cc1ccnc(C(N)=[NH2+])c1)Cc1ccccc1F ZINC000068761311 523452581 /nfs/dbraw/zinc/45/25/81/523452581.db2.gz AYFDCOOTOZMQMU-UHFFFAOYSA-N 1 0 272.327 2.137 10 0 CEAERO CC[C@@H]1COCCN1c1ccc(F)cc1C[NH2+]CCOC ZINC000062736317 523500922 /nfs/dbraw/zinc/50/09/22/523500922.db2.gz QXRAQPDYSQQXOY-OAHLLOKOSA-N 1 0 296.386 2.177 10 0 CEAERO CC[C@@H]1CO[C@@H](C)CN1CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052197577 523505774 /nfs/dbraw/zinc/50/57/74/523505774.db2.gz BPDCJLWHLSGCLL-JKSUJKDBSA-N 1 0 298.471 2.281 10 0 CEAERO CN(Cc1csc(C[NH3+])n1)Cc1ccc(F)cc1 ZINC000052346180 523526471 /nfs/dbraw/zinc/52/64/71/523526471.db2.gz PWUXMMOVYZVOQV-UHFFFAOYSA-N 1 0 265.357 2.373 10 0 CEAERO CN(Cc1cscn1)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052182274 523537548 /nfs/dbraw/zinc/53/75/48/523537548.db2.gz RTNLDXOGLHPSRK-UHFFFAOYSA-N 1 0 295.452 2.124 10 0 CEAERO CC[C@]1(C(=O)NCc2ccccc2C)CCC[NH2+]C1 ZINC000062856024 523538509 /nfs/dbraw/zinc/53/85/09/523538509.db2.gz GUWOCNIXWMUVBE-INIZCTEOSA-N 1 0 260.381 2.391 10 0 CEAERO CCn1ccnc1[C@@H](Cc1csc(C)n1)[NH2+]C ZINC000069498591 523553865 /nfs/dbraw/zinc/55/38/65/523553865.db2.gz MTYJFKPYZAKHSN-LLVKDONJSA-N 1 0 250.371 2.171 10 0 CEAERO CN(Cc1[nH+]c(NN)ccc1Cl)CC1CCC1 ZINC000061639142 523555134 /nfs/dbraw/zinc/55/51/34/523555134.db2.gz ZSDHOEZQINYSAR-UHFFFAOYSA-N 1 0 254.765 2.253 10 0 CEAERO C[N@H+]([C@@H](CN)CCc1ccccc1)C1CCOCC1 ZINC000061624705 523624648 /nfs/dbraw/zinc/62/46/48/523624648.db2.gz XIPQTLIIAKDAEK-MRXNPFEDSA-N 1 0 262.397 2.057 10 0 CEAERO COCCN(C)c1cc(C[NH2+]C(C)(C)C)ccn1 ZINC000051519528 523632908 /nfs/dbraw/zinc/63/29/08/523632908.db2.gz XOOZKKJUANGCOS-UHFFFAOYSA-N 1 0 251.374 2.052 10 0 CEAERO CC[C@@](C)(C[NH2+]CC(C)C)CN1CCn2ccnc2C1 ZINC000062322194 523639191 /nfs/dbraw/zinc/63/91/91/523639191.db2.gz WLLQCFRSMJSEJX-INIZCTEOSA-N 1 0 278.444 2.361 10 0 CEAERO CCc1c(C)nn(Cc2csc(C[NH2+]C)n2)c1C ZINC000052592323 523717113 /nfs/dbraw/zinc/71/71/13/523717113.db2.gz DTSPUJNVTKHBIK-UHFFFAOYSA-N 1 0 264.398 2.287 10 0 CEAERO COCCN(CCOC)[C@H](C[NH2+]C1CC1)c1ccccc1 ZINC000052571526 523723530 /nfs/dbraw/zinc/72/35/30/523723530.db2.gz GGEATGYPRSSQIK-QGZVFWFLSA-N 1 0 292.423 2.075 10 0 CEAERO COc1ccc(C(C)=O)cc1CN1CCC[C@@H]1C[NH+](C)C ZINC000061645748 523793044 /nfs/dbraw/zinc/79/30/44/523793044.db2.gz HNWMCJPLGZPLLR-MRXNPFEDSA-N 1 0 290.407 2.424 10 0 CEAERO COc1ccc(C(C)C)cc1CN(C)C(=O)CC[NH3+] ZINC000057552420 523794112 /nfs/dbraw/zinc/79/41/12/523794112.db2.gz UGBXBUCFXGTDJM-UHFFFAOYSA-N 1 0 264.369 2.126 10 0 CEAERO COc1ccc(C)cc1Cn1nc(C)c(C[NH3+])c1C ZINC000050705863 523817849 /nfs/dbraw/zinc/81/78/49/523817849.db2.gz AEYQZQQFPJPODO-UHFFFAOYSA-N 1 0 259.353 2.324 10 0 CEAERO COc1ccc(C)cc1[C@H]([NH3+])c1cccnc1OC ZINC000061444189 523860166 /nfs/dbraw/zinc/86/01/66/523860166.db2.gz KFHUMESZEIFITD-CQSZACIVSA-N 1 0 258.321 2.455 10 0 CEAERO CN1CC[NH+](C[C@@H]2C[C@@H](C(C)(C)C)CCC2=O)CC1 ZINC000053925060 523907983 /nfs/dbraw/zinc/90/79/83/523907983.db2.gz CXAJUNAMAYCYQZ-KBPBESRZSA-N 1 0 266.429 2.265 10 0 CEAERO COCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(C)sc1C ZINC000049507499 523909245 /nfs/dbraw/zinc/90/92/45/523909245.db2.gz ICCFKPSLIWLAAD-WDEREUQCSA-N 1 0 284.425 2.167 10 0 CEAERO COc1ccc(CCC(=O)NC[C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000062036856 523923171 /nfs/dbraw/zinc/92/31/71/523923171.db2.gz KTAWXZRKZGUGND-DZGCQCFKSA-N 1 0 290.407 2.132 10 0 CEAERO COCC[NH2+]CCCc1cnn(-c2ccc(F)cc2F)c1 ZINC000054670198 523937376 /nfs/dbraw/zinc/93/73/76/523937376.db2.gz MVOLIIVPAAOHQC-UHFFFAOYSA-N 1 0 295.333 2.319 10 0 CEAERO CC[C@H](C)N(CCOC)c1ccc(C[NH2+]CC(C)C)nn1 ZINC000051517799 523939434 /nfs/dbraw/zinc/93/94/34/523939434.db2.gz IBIDEDJUXQZWCV-AWEZNQCLSA-N 1 0 294.443 2.474 10 0 CEAERO COCC[NH2+]C[C@@H](O)c1cccc(Cl)c1Cl ZINC000055030373 523939927 /nfs/dbraw/zinc/93/99/27/523939927.db2.gz LMOXHKJHGDMKEA-SNVBAGLBSA-N 1 0 264.152 2.263 10 0 CEAERO COCC[NH2+]C[C@@H](CCOC)Cc1cccc(F)c1 ZINC000054667071 523939936 /nfs/dbraw/zinc/93/99/36/523939936.db2.gz XMCRKAWULLOJSR-AWEZNQCLSA-N 1 0 269.360 2.257 10 0 CEAERO COCC[NH2+]C[C@@H]1C[C@@H]1c1cc(OC)cc(OC)c1 ZINC000054598665 523941620 /nfs/dbraw/zinc/94/16/20/523941620.db2.gz CAVZEHRMWMAVAA-SWLSCSKDSA-N 1 0 265.353 2.043 10 0 CEAERO COCC[NH2+]C[C@H]1C[C@@]1(C)c1ccc2c(c1)OCCCO2 ZINC000054599014 523944265 /nfs/dbraw/zinc/94/42/65/523944265.db2.gz ZDNZYHLBESZKTB-PBHICJAKSA-N 1 0 291.391 2.362 10 0 CEAERO COCC[NH2+]C[C@H]1C[C@@]1(C)c1cc(OC)ccc1OC ZINC000054599302 523944886 /nfs/dbraw/zinc/94/48/86/523944886.db2.gz HRRUAZJTXZTDRL-MLGOLLRUSA-N 1 0 279.380 2.217 10 0 CEAERO COCC[NH2+]C[C@]1(Cc2cccc(F)c2)CCOC1 ZINC000054666370 523945463 /nfs/dbraw/zinc/94/54/63/523945463.db2.gz LNNJORBQQMIHHK-OAHLLOKOSA-N 1 0 267.344 2.011 10 0 CEAERO COCC[NH2+]Cc1ccccc1N(C)C1CCOCC1 ZINC000062736295 523954751 /nfs/dbraw/zinc/95/47/51/523954751.db2.gz VBZHXUMGLNDPDY-UHFFFAOYSA-N 1 0 278.396 2.038 10 0 CEAERO CO[C@H](c1nc([C@H]([NH3+])C2CC2)no1)c1ccccc1 ZINC000050438345 523959966 /nfs/dbraw/zinc/95/99/66/523959966.db2.gz SEHFAANPEJFGOX-NEPJUHHUSA-N 1 0 259.309 2.215 10 0 CEAERO CC[C@H](C)[NH+]1CCN(c2ccc(N)cc2F)CC1 ZINC000055066355 523960943 /nfs/dbraw/zinc/96/09/43/523960943.db2.gz IDRFVRUEVYRQBA-NSHDSACASA-N 1 0 251.349 2.328 10 0 CEAERO COCC[NH2+][C@@](CO)(CC(C)C)c1ccccc1 ZINC000053292615 523961154 /nfs/dbraw/zinc/96/11/54/523961154.db2.gz DSYNDNCANCUAGG-OAHLLOKOSA-N 1 0 251.370 2.156 10 0 CEAERO C[N@@H+]1CC[C@H](Nc2ccc(Cl)cc2C(N)=S)C1 ZINC000052858612 523989451 /nfs/dbraw/zinc/98/94/51/523989451.db2.gz JZWAOQQJZGVATM-VIFPVBQESA-N 1 0 269.801 2.090 10 0 CEAERO COC(=O)[C@](C[N@H+](C)[C@@H](C)CC(C)C)(NC1CC1)C1CC1 ZINC000069139997 524005151 /nfs/dbraw/zinc/00/51/51/524005151.db2.gz WFJLWWQAHUEVKT-SUMWQHHRSA-N 1 0 296.455 2.427 10 0 CEAERO COCCOCCOc1ccc(C[NH2+]C(C)C)cc1 ZINC000052628245 524013096 /nfs/dbraw/zinc/01/30/96/524013096.db2.gz XOTINGUFCWQAFO-UHFFFAOYSA-N 1 0 267.369 2.226 10 0 CEAERO C[NH+](C)CC1CCN(c2nc(C3CC3)c(CO)s2)CC1 ZINC000069182917 524050292 /nfs/dbraw/zinc/05/02/92/524050292.db2.gz NSHKAIBWYKFRTH-UHFFFAOYSA-N 1 0 295.452 2.291 10 0 CEAERO CCc1ccc([C@](O)(CC)C[NH2+]CCOC)cc1 ZINC000055033647 524057208 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C[C@@H](c1cccs1)N(C)CC[NH2+]C[C@@H]1CCOC1 ZINC000053431738 526143977 /nfs/dbraw/zinc/14/39/77/526143977.db2.gz FZQXNFHOBGGIOC-STQMWFEESA-N 1 0 268.426 2.367 10 0 CEAERO COc1cccc(O[C@H](C)C[NH2+]C[C@@H]2CCCO2)c1 ZINC000053565629 526240148 /nfs/dbraw/zinc/24/01/48/526240148.db2.gz PIXMOAVZOMQXEE-DOMZBBRYSA-N 1 0 265.353 2.231 10 0 CEAERO Cc1nn(C[C@@H]2CC[C@@H](C[NH2+]C3CC3)O2)c(C)c1Cl ZINC000052573973 526285526 /nfs/dbraw/zinc/28/55/26/526285526.db2.gz OZNLUCOLWLYYBR-STQMWFEESA-N 1 0 283.803 2.453 10 0 CEAERO Cc1nn(C[C@H]2CC[C@H](C[NH2+]C(C)C)O2)c(C)c1C ZINC000052591634 526285720 /nfs/dbraw/zinc/28/57/20/526285720.db2.gz LBCRKMNHMUAWNK-HUUCEWRRSA-N 1 0 265.401 2.354 10 0 CEAERO Cc1nn(Cc2cccnc2C[NH3+])c(C)c1Cl ZINC000061657126 526298977 /nfs/dbraw/zinc/29/89/77/526298977.db2.gz VJUPIZPJCIACBX-UHFFFAOYSA-N 1 0 250.733 2.055 10 0 CEAERO Cc1nnc(COc2cc(F)ccc2[C@@H](C)[NH3+])o1 ZINC000062745354 526346409 /nfs/dbraw/zinc/34/64/09/526346409.db2.gz GFNLDFZBNBSPGI-SSDOTTSWSA-N 1 0 251.261 2.116 10 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2.450 10 0 CEAERO c1csc(CN(CC[NH2+]C[C@H]2CCCO2)C2CC2)c1 ZINC000053445756 526579535 /nfs/dbraw/zinc/57/95/35/526579535.db2.gz FAEMADCULYZWHV-CQSZACIVSA-N 1 0 280.437 2.481 10 0 CEAERO Cc1nc(-c2cnccn2)nc(C)c1CC[NH2+]C(C)(C)C ZINC000054853926 526619786 /nfs/dbraw/zinc/61/97/86/526619786.db2.gz ZGFXRQBRVYDWST-UHFFFAOYSA-N 1 0 285.395 2.481 10 0 CEAERO C[NH2+]C[C@H]1CC[C@@H](CN2C[C@@H](C)Cc3ccccc32)O1 ZINC000110168843 536469014 /nfs/dbraw/zinc/46/90/14/536469014.db2.gz SFHPJAAVSJHWSP-IMJJTQAJSA-N 1 0 274.408 2.452 10 0 CEAERO Cc1nc(C)n(Cc2cccc(C[NH2+]C(C)C)c2)n1 ZINC000052574346 526764186 /nfs/dbraw/zinc/76/41/86/526764186.db2.gz NSXRTPMIPPHFSH-UHFFFAOYSA-N 1 0 258.369 2.441 10 0 CEAERO Cc1nc(C)n([C@@H](C[NH2+]C(C)C)c2ccccc2)n1 ZINC000052574533 526765502 /nfs/dbraw/zinc/76/55/02/526765502.db2.gz TUEDFKCNGFHRCO-HNNXBMFYSA-N 1 0 258.369 2.482 10 0 CEAERO Cc1oc(CN2CCSCC2)cc1C[NH2+]C1CC1 ZINC000052425542 526771580 /nfs/dbraw/zinc/77/15/80/526771580.db2.gz OOIOSOMAGCBGOL-UHFFFAOYSA-N 1 0 266.410 2.389 10 0 CEAERO NC(=[NH2+])c1ccc(Cl)cc1-n1nnc2ccccc21 ZINC000062789030 526822039 /nfs/dbraw/zinc/82/20/39/526822039.db2.gz PTJWLYLKFCXZRX-UHFFFAOYSA-N 1 0 271.711 2.358 10 0 CEAERO NC(=O)C[N@H+](Cc1ccc(Cl)cc1N)C1CCCC1 ZINC000050443145 526882043 /nfs/dbraw/zinc/88/20/43/526882043.db2.gz GSPCDCVEKOYVBR-UHFFFAOYSA-N 1 0 281.787 2.152 10 0 CEAERO NC(=O)[C@@H](CC[NH+]1CCC2(CCCCC2)CC1)NC1CC1 ZINC000062532842 526953643 /nfs/dbraw/zinc/95/36/43/526953643.db2.gz YVYKUXJGSOOMMT-OAHLLOKOSA-N 1 0 293.455 2.029 10 0 CEAERO Cc1nc(N)sc1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000055173203 526955390 /nfs/dbraw/zinc/95/53/90/526955390.db2.gz VXQUKIHGPUXHOW-UHFFFAOYSA-N 1 0 296.440 2.026 10 0 CEAERO NC(=O)[C@]([NH3+])(CSc1cccc(Cl)c1)C1CC1 ZINC000069189533 527016726 /nfs/dbraw/zinc/01/67/26/527016726.db2.gz IYPPSGLUHHQMFU-LBPRGKRZSA-N 1 0 270.785 2.025 10 0 CEAERO O=C1NCCC[C@H]1[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000163439038 527066407 /nfs/dbraw/zinc/06/64/07/527066407.db2.gz BRZXAKDZXCPQOA-LLVKDONJSA-N 1 0 290.260 2.213 10 0 CEAERO NC(=S)c1cc(Cl)ccc1N[C@@H]1C[NH+]2CCC1CC2 ZINC000052857725 527114931 /nfs/dbraw/zinc/11/49/31/527114931.db2.gz DACWGLYKVNLDMA-CYBMUJFWSA-N 1 0 295.839 2.480 10 0 CEAERO O=C1c2ccccc2C(=O)N1c1ccc2c(c1)C[NH2+]CC2 ZINC000069052862 527131264 /nfs/dbraw/zinc/13/12/64/527131264.db2.gz IWNJRJFUUHKUBT-UHFFFAOYSA-N 1 0 278.311 2.133 10 0 CEAERO [NH3+]C1CCN(c2cccc(OC3CCOCC3)c2)CC1 ZINC000069310953 527144464 /nfs/dbraw/zinc/14/44/64/527144464.db2.gz CXPXVWJYZWTROI-UHFFFAOYSA-N 1 0 276.380 2.172 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1cc(F)ccc1F ZINC000054290102 527167932 /nfs/dbraw/zinc/16/79/32/527167932.db2.gz SILXPFMPGGRQDJ-SECBINFHSA-N 1 0 254.280 2.293 10 0 CEAERO [NH3+]CCCc1noc(-c2ccc3ncccc3c2)n1 ZINC000061418918 527182937 /nfs/dbraw/zinc/18/29/37/527182937.db2.gz SZCLIOZUJYJVAN-UHFFFAOYSA-N 1 0 254.293 2.176 10 0 CEAERO [NH3+]CCCc1nc(-c2ccc(F)c(Cl)c2)no1 ZINC000062790669 527183592 /nfs/dbraw/zinc/18/35/92/527183592.db2.gz KQDSJOVTYRCLCW-UHFFFAOYSA-N 1 0 255.680 2.420 10 0 CEAERO [NH3+]CC[C@H]1CN(C(=O)[C@@H]2CCCCO2)c2ccccc21 ZINC000063127596 527195231 /nfs/dbraw/zinc/19/52/31/527195231.db2.gz KQUNQRGQSFHBRS-WFASDCNBSA-N 1 0 274.364 2.035 10 0 CEAERO [NH3+]CCc1ccnc(-c2ccc(F)c(Cl)c2)n1 ZINC000062793502 527197508 /nfs/dbraw/zinc/19/75/08/527197508.db2.gz PWJORSALCBYVEL-UHFFFAOYSA-N 1 0 251.692 2.437 10 0 CEAERO [NH3+]CCc1nccn1Cc1cc(Br)ccc1F ZINC000052304072 527198827 /nfs/dbraw/zinc/19/88/27/527198827.db2.gz KONCGSGPQDLGSR-UHFFFAOYSA-N 1 0 298.159 2.334 10 0 CEAERO [NH3+]C[C@@H](c1nc(-c2ccncc2)no1)c1ccccc1 ZINC000061609351 527208091 /nfs/dbraw/zinc/20/80/91/527208091.db2.gz YDBVUVJKOUQKNX-CYBMUJFWSA-N 1 0 266.304 2.222 10 0 CEAERO [NH3+]C[C@@H](c1ccccc1F)N(CCO)Cc1ccccc1 ZINC000050514076 527208235 /nfs/dbraw/zinc/20/82/35/527208235.db2.gz ZVSSCDNKSYCFTF-KRWDZBQOSA-N 1 0 288.366 2.320 10 0 CEAERO [NH3+]C[C@@H](c1nnc2n1CCCCC2)c1ccccc1 ZINC000061609319 527208437 /nfs/dbraw/zinc/20/84/37/527208437.db2.gz YNTJLTBBFBVNEQ-CYBMUJFWSA-N 1 0 256.353 2.095 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NNc1ccc(Cl)c(COCc2ccco2)[nH+]1 ZINC000061639530 527280598 /nfs/dbraw/zinc/28/05/98/527280598.db2.gz AUCHVZWVVPZQIV-UHFFFAOYSA-N 1 0 253.689 2.330 10 0 CEAERO [NH3+][C@@H](c1cc(Cl)ccc1Cl)[C@H]1COCCO1 ZINC000055299137 527338090 /nfs/dbraw/zinc/33/80/90/527338090.db2.gz RCNUUOVCVIFMTP-MNOVXSKESA-N 1 0 262.136 2.409 10 0 CEAERO [NH3+][C@@H](Cc1ccc(O)cc1)c1nncn1C1CCCC1 ZINC000054526419 527336064 /nfs/dbraw/zinc/33/60/64/527336064.db2.gz MAVINXWIOKWULZ-AWEZNQCLSA-N 1 0 272.352 2.341 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@H]1NC(=O)C1(c2ccccc2)CC1 ZINC000063210505 527341986 /nfs/dbraw/zinc/34/19/86/527341986.db2.gz KXTLXNXITBRNGH-HUUCEWRRSA-N 1 0 272.392 2.494 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N(CCO)C1CCCCC1 ZINC000055133309 527342906 /nfs/dbraw/zinc/34/29/06/527342906.db2.gz XBCTYWOOLAWNOW-UKRRQHHQSA-N 1 0 282.428 2.048 10 0 CEAERO [NH3+][C@H](C1CCOCC1)C1(c2ccccc2)CCOCC1 ZINC000069310131 527382341 /nfs/dbraw/zinc/38/23/41/527382341.db2.gz DQXUOMMRCQXQEP-MRXNPFEDSA-N 1 0 275.392 2.489 10 0 CEAERO [NH3+][C@H](Cc1cccnc1)c1ccc2c(c1)OCCCO2 ZINC000055228861 527390150 /nfs/dbraw/zinc/39/01/50/527390150.db2.gz CDIAKDNFIZCWJA-CQSZACIVSA-N 1 0 270.332 2.485 10 0 CEAERO [NH3+][C@H]1CCCCC[C@@H]1NC(=O)c1ccc2c(c1)CCO2 ZINC000063210341 527395502 /nfs/dbraw/zinc/39/55/02/527395502.db2.gz JGLVYQLRPZIQMA-KBPBESRZSA-N 1 0 274.364 2.011 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)c1ccc2ncccc2c1 ZINC000061416141 527396635 /nfs/dbraw/zinc/39/66/35/527396635.db2.gz CWIHTDBDJGEAPA-ZFWWWQNUSA-N 1 0 269.348 2.235 10 0 CEAERO FC(F)(F)[C@@H]1CCCN(CC[NH2+]C2CCOCC2)C1 ZINC000062767583 527676948 /nfs/dbraw/zinc/67/69/48/527676948.db2.gz OILJZHVBPTVPGH-LLVKDONJSA-N 1 0 280.334 2.029 10 0 CEAERO CCC[NH+](CCC)CCc1cccc2c1[C@H](CO)C(=O)N2 ZINC000504028139 528059727 /nfs/dbraw/zinc/05/97/27/528059727.db2.gz BPHPASBJGJQTRY-AWEZNQCLSA-N 1 0 290.407 2.379 10 0 CEAERO CC[NH2+]CC1CCN(C(=O)C2[C@@H]3CCCC[C@H]23)CC1 ZINC000132826875 528280582 /nfs/dbraw/zinc/28/05/82/528280582.db2.gz NRFYEIVMWQCUBW-YIONKMFJSA-N 1 0 264.413 2.271 10 0 CEAERO CC[C@H](OC1CCCCC1)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000193643995 529155707 /nfs/dbraw/zinc/15/57/07/529155707.db2.gz WNURAPSJZALFFV-SNPRPXQTSA-N 1 0 282.428 2.371 10 0 CEAERO CC[C@@H]1CN(C(=O)N[C@@H]2CCC[N@H+](CC)C2)CCS1 ZINC000174235052 529369509 /nfs/dbraw/zinc/36/95/09/529369509.db2.gz WNFKXSGIGMBLKH-CHWSQXEVSA-N 1 0 285.457 2.008 10 0 CEAERO CCC[NH2+][C@](C)(CO)CN1CCCc2ccccc21 ZINC000085238961 535193670 /nfs/dbraw/zinc/19/36/70/535193670.db2.gz SMSMPNZWHRSPKA-INIZCTEOSA-N 1 0 262.397 2.190 10 0 CEAERO CC[NH2+][C@H]1CCN(CC(=O)NCC(C)C)c2ccccc21 ZINC000071377896 535516872 /nfs/dbraw/zinc/51/68/72/535516872.db2.gz WIZFUXBRKJOHRF-HNNXBMFYSA-N 1 0 289.423 2.320 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(c2ccc([C@H](C)O)c(O)c2)CC1 ZINC000093672549 535566386 /nfs/dbraw/zinc/56/63/86/535566386.db2.gz GKSYMZHEADGRLG-OLZOCXBDSA-N 1 0 278.396 2.366 10 0 CEAERO C[NH2+][C@@H](C[C@H]1CCCO1)c1ccc2c(c1)CCC(=O)N2C ZINC000087215162 536355094 /nfs/dbraw/zinc/35/50/94/536355094.db2.gz OFVHLLQPQZQTLR-CABCVRRESA-N 1 0 288.391 2.425 10 0 CEAERO C[NH2+][C@@H]1CCCN(c2c(C)cccc2Cl)C1=O ZINC000090535798 536365460 /nfs/dbraw/zinc/36/54/60/536365460.db2.gz ICEYUOAQPLWWQK-LLVKDONJSA-N 1 0 252.745 2.363 10 0 CEAERO C[NH2+][C@@H]1CCC[C@H]1CN1CCN(C)c2ccccc21 ZINC000104279811 536367118 /nfs/dbraw/zinc/36/71/18/536367118.db2.gz BTTURUMSJSCAFJ-UONOGXRCSA-N 1 0 259.397 2.331 10 0 CEAERO CN1CCN(C[C@@H]2CCCC[C@@H]2[NH3+])c2ccccc21 ZINC000104279795 536413239 /nfs/dbraw/zinc/41/32/39/536413239.db2.gz ZLXFVLYSGCTPJU-KBPBESRZSA-N 1 0 259.397 2.460 10 0 CEAERO COc1ccc2cc(NC(=O)C3CC[NH2+]CC3)ccc2n1 ZINC000237289209 537036199 /nfs/dbraw/zinc/03/61/99/537036199.db2.gz OONBETQFBSWUTL-UHFFFAOYSA-N 1 0 285.347 2.182 10 0 CEAERO Cc1nc2cc(NC(=O)[C@@]3(C)CCC[NH2+]3)ccc2o1 ZINC000079519838 538887346 /nfs/dbraw/zinc/88/73/46/538887346.db2.gz NRHFFSXQJLLWBQ-CQSZACIVSA-N 1 0 259.309 2.217 10 0 CEAERO CCc1noc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@H]2O)n1 ZINC000253086269 574504491 /nfs/dbraw/zinc/50/44/91/574504491.db2.gz AZFAUWMYTSWSJU-JHJVBQTASA-N 1 0 279.384 2.148 10 0 CEAERO CC(C)[C@H]1[NH2+][C@]2(CN3CCC2CC3)OCC1(C)C ZINC000757142307 574510253 /nfs/dbraw/zinc/51/02/53/574510253.db2.gz DADAYLPOJPWMBV-UKRRQHHQSA-N 1 0 252.402 2.079 10 0 CEAERO FC(F)(F)[C@H]1CCC[C@@]2(C1)[NH2+]CC1(COC1)CO2 ZINC000757145900 574510402 /nfs/dbraw/zinc/51/04/02/574510402.db2.gz QSFQFOKJMIQIKN-GXSJLCMTSA-N 1 0 265.275 2.072 10 0 CEAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@H]1c1cccc(F)c1 ZINC000757184164 574511599 /nfs/dbraw/zinc/51/15/99/574511599.db2.gz JIUXFVDUTACPLM-STQMWFEESA-N 1 0 265.328 2.470 10 0 CEAERO C[C@]1([NH3+])CC=C(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000757566015 574514084 /nfs/dbraw/zinc/51/40/84/574514084.db2.gz JWPORXYWELUMQK-AWEZNQCLSA-N 1 0 280.393 2.343 10 0 CEAERO CCCN(c1nnc(C(F)F)s1)[C@@H]1CC[NH2+]C1 ZINC000261567618 623816998 /nfs/dbraw/zinc/81/69/98/623816998.db2.gz ZYAZGPUNQSYZRM-SSDOTTSWSA-N 1 0 262.329 2.054 10 0 CEAERO CSCc1noc(CNc2cc(C(C)C)[nH+]c(N)n2)n1 ZINC000095369109 625461735 /nfs/dbraw/zinc/46/17/35/625461735.db2.gz DUBQTZSAXSBHOV-UHFFFAOYSA-N 1 0 294.384 2.040 10 0 CEAERO CCc1ccc([C@H](C)[NH2+]C2CCS(=O)(=O)CC2)cc1 ZINC000036331463 622667207 /nfs/dbraw/zinc/66/72/07/622667207.db2.gz BUZRHUAHGUMZSR-LBPRGKRZSA-N 1 0 281.421 2.477 10 0 CEAERO CCCN(CCC)S(=O)(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000757147495 622916802 /nfs/dbraw/zinc/91/68/02/622916802.db2.gz CCLHZNNPNOFUTN-CQSZACIVSA-N 1 0 284.425 2.138 10 0 CEAERO CC1(C)C[C@H](NC(=O)[C@]2(F)CC[NH2+]C2)c2ccccc2O1 ZINC000160346089 623199442 /nfs/dbraw/zinc/19/94/42/623199442.db2.gz IIRDJXZYNWYBEZ-LRDDRELGSA-N 1 0 292.354 2.107 10 0 CEAERO C[C@H](C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)N(C)C ZINC000083799400 623233559 /nfs/dbraw/zinc/23/35/59/623233559.db2.gz SMRJXXRZFPUNJB-KGLIPLIRSA-N 1 0 299.459 2.173 10 0 CEAERO CC1CCC(CN2CC[NH2+]C[C@H]2c2nccn2C)CC1 ZINC000261930081 623666740 /nfs/dbraw/zinc/66/67/40/623666740.db2.gz CQEZCPSYGUWLOL-NRXISQOPSA-N 1 0 276.428 2.193 10 0 CEAERO CCCc1ccc(NC(=O)C2([NH3+])CCOCC2)cc1 ZINC000127741866 623912639 /nfs/dbraw/zinc/91/26/39/623912639.db2.gz ARXIPRXGZLLLKS-UHFFFAOYSA-N 1 0 262.353 2.086 10 0 CEAERO CC[NH+](CC)[C@@H](C)CNc1nc(Cl)nc2nc[nH]c21 ZINC000891790189 623971272 /nfs/dbraw/zinc/97/12/72/623971272.db2.gz SKWYVKAKFNDOQQ-QMMMGPOBSA-N 1 0 282.779 2.100 10 0 CEAERO Cc1ccc(Cl)cc1C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000235656576 625697741 /nfs/dbraw/zinc/69/77/41/625697741.db2.gz OOBKZZNEVBPGJT-JOYOIKCWSA-N 1 0 252.745 2.068 10 0 CEAERO Cc1nc([C@H](C)NC(=O)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000261990465 624136918 /nfs/dbraw/zinc/13/69/18/624136918.db2.gz YBSDWCDPQUKGSW-ONGXEEELSA-N 1 0 279.409 2.018 10 0 CEAERO C[C@@H]1[C@H]([NH3+])CCN1Cc1coc(-c2ccccc2)n1 ZINC000261600717 624443845 /nfs/dbraw/zinc/44/38/45/624443845.db2.gz PXNPQLJVLMEMMH-BXUZGUMPSA-N 1 0 257.337 2.263 10 0 CEAERO C[NH2+]CCc1noc(-c2cccc(Br)c2)n1 ZINC000051850872 624624527 /nfs/dbraw/zinc/62/45/27/624624527.db2.gz UFFOWSAEVLMCEA-UHFFFAOYSA-N 1 0 282.141 2.261 10 0 CEAERO COc1ccccc1C/C(C)=C/C(=O)NCC[C@@H](C)[NH3+] ZINC000178643791 624657053 /nfs/dbraw/zinc/65/70/53/624657053.db2.gz HCUSSAYTMPCJOF-XZHRJIJLSA-N 1 0 276.380 2.038 10 0 CEAERO C[C@@H]1CN(C)C[C@H](c2nnc(-c3ccncc3Cl)o2)O1 ZINC000888078961 624708010 /nfs/dbraw/zinc/70/80/10/624708010.db2.gz NPVQKAFYNBBBEE-LDYMZIIASA-N 1 0 294.742 2.177 10 0 CEAERO C[C@@H]([NH3+])Cc1nc([C@H]2CSc3ccccc3O2)no1 ZINC000235222633 625095015 /nfs/dbraw/zinc/09/50/15/625095015.db2.gz WVOBRQUFPMKDBM-PSASIEDQSA-N 1 0 277.349 2.185 10 0 CEAERO O[C@@H](CN1CC[N@@H+]2CCCC[C@@H]2C1)c1ccc(F)c(F)c1 ZINC000177757302 625873078 /nfs/dbraw/zinc/87/30/78/625873078.db2.gz BZVHCZAIKPWAKG-CJNGLKHVSA-N 1 0 296.361 2.168 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1c1nc(COCC(F)(F)F)no1 ZINC000236173879 625903777 /nfs/dbraw/zinc/90/37/77/625903777.db2.gz PEWLXTBSVNONOY-IUCAKERBSA-N 1 0 293.289 2.381 10 0 CEAERO [NH3+]C[C@@H](Nc1nnc(C(F)(F)F)s1)C1CCCC1 ZINC000236191694 625906596 /nfs/dbraw/zinc/90/65/96/625906596.db2.gz FEGZFAYRVLCCHE-SSDOTTSWSA-N 1 0 280.319 2.486 10 0 CEAERO CC(=O)[C@H]1CCCN(CC(=O)NC2CCCCCC2)C1 ZINC000111690083 627827982 /nfs/dbraw/zinc/82/79/82/627827982.db2.gz CBVFBDVSQJOMCY-AWEZNQCLSA-N 1 0 280.412 2.126 10 0 CEAERO C[C@H]([NH2+]C1CCC(O)(C(F)(F)F)CC1)[C@@H]1CCCO1 ZINC000396319706 628207192 /nfs/dbraw/zinc/20/71/92/628207192.db2.gz IUWIIKJZHYDONQ-VOBJUBJWSA-N 1 0 281.318 2.380 10 0 CEAERO C[NH2+]C[C@@H]1CCCN1c1ncccc1Br ZINC000053704020 628509208 /nfs/dbraw/zinc/50/92/08/628509208.db2.gz JFCFSOJZSITCJY-VIFPVBQESA-N 1 0 270.174 2.032 10 0 CEAERO CC(C)(C)c1ccnc(N2C[C@@H]3CCC[C@]3(C[NH3+])C2)n1 ZINC000313360038 628590787 /nfs/dbraw/zinc/59/07/87/628590787.db2.gz OHEGOWAEQQPOLH-LRDDRELGSA-N 1 0 274.412 2.339 10 0 CEAERO C[C@H]1CCN(c2ncccc2Br)C[C@H]1C[NH3+] ZINC000253189710 628645715 /nfs/dbraw/zinc/64/57/15/628645715.db2.gz KMLVBKKRSXWMJV-VHSXEESVSA-N 1 0 284.201 2.265 10 0 CEAERO CC(C)[C@@H]1CCCC[C@H]1[NH2+]C1CCN(CCO)CC1 ZINC000398947900 628765967 /nfs/dbraw/zinc/76/59/67/628765967.db2.gz AJPYUSYFJWAHQO-JKSUJKDBSA-N 1 0 268.445 2.248 10 0 CEAERO Cc1ccc([C@H](C)[NH2+]C2CCN(CCO)CC2)s1 ZINC000399083614 628774048 /nfs/dbraw/zinc/77/40/48/628774048.db2.gz SXWAAHBQZYDSOA-LBPRGKRZSA-N 1 0 268.426 2.164 10 0 CEAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1CCN(CCO)CC1 ZINC000399245596 628787642 /nfs/dbraw/zinc/78/76/42/628787642.db2.gz JZUYOMDBPLFZGI-PVAVHDDUSA-N 1 0 282.472 2.494 10 0 CEAERO COc1ccc(Cl)cc1CNC[C@@H]1CC[NH2+]C1 ZINC000258980793 628787843 /nfs/dbraw/zinc/78/78/43/628787843.db2.gz UXQHPLNHNLEYJG-SNVBAGLBSA-N 1 0 254.761 2.048 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1csc(Br)c1 ZINC000261536517 628935991 /nfs/dbraw/zinc/93/59/91/628935991.db2.gz RZVXRJINKDTSLI-SVRRBLITSA-N 1 0 289.198 2.072 10 0 CEAERO Cc1ccnc(N2CC[C@H]([NH3+])[C@H]2C)c1Br ZINC000261537333 628936527 /nfs/dbraw/zinc/93/65/27/628936527.db2.gz VHYSTTNZVRNCET-BDAKNGLRSA-N 1 0 270.174 2.078 10 0 CEAERO CCOc1ccc(C[N@@H+]2C[C@H](C)[C@H](C(=O)OC)C2)cc1 ZINC000095015408 628946336 /nfs/dbraw/zinc/94/63/36/628946336.db2.gz NUBKUWZYPLRXPH-SWLSCSKDSA-N 1 0 277.364 2.326 10 0 CEAERO CCCCOC[C@H](O)C[NH2+][C@H]1CC[C@@H](SC)C1 ZINC000233002860 628951405 /nfs/dbraw/zinc/95/14/05/628951405.db2.gz OWSYKCNLVQHDMT-YNEHKIRRSA-N 1 0 261.431 2.038 10 0 CEAERO Cc1cc2c(ncnc2N2CC[C@](C)(C[NH3+])C2)s1 ZINC000235975490 628972910 /nfs/dbraw/zinc/97/29/10/628972910.db2.gz VYUGZYQLLHCOSY-CYBMUJFWSA-N 1 0 262.382 2.175 10 0 CEAERO CCc1ccc([C@@H](C)NC(=O)C[NH2+]C[C@H]2CCCO2)cc1 ZINC000236954677 629131385 /nfs/dbraw/zinc/13/13/85/629131385.db2.gz UFKWZWPBVFILQA-CZUORRHYSA-N 1 0 290.407 2.195 10 0 CEAERO CCc1ccc(CCNC(=O)[C@H]([NH3+])[C@H](C)CC)cc1 ZINC000236974270 629140920 /nfs/dbraw/zinc/14/09/20/629140920.db2.gz JTIZZQWFCXDZKD-IUODEOHRSA-N 1 0 262.397 2.281 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cc(-c2cccs2)[nH]n1 ZINC000237010664 629150505 /nfs/dbraw/zinc/15/05/05/629150505.db2.gz JYKMFLUNGOCXIY-PRHODGIISA-N 1 0 278.381 2.450 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NCc2ccc(F)nc2)C1 ZINC000249472864 629150627 /nfs/dbraw/zinc/15/06/27/629150627.db2.gz SKVRYRJWPOSXTK-DGCLKSJQSA-N 1 0 251.349 2.039 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)c1sc(C2CCCC2)nc1C ZINC000261746128 629180251 /nfs/dbraw/zinc/18/02/51/629180251.db2.gz MZMOLGLTGBOELS-VIFPVBQESA-N 1 0 281.425 2.447 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)[C@@H](OC1CCCC1)c1ccccc1 ZINC000261792909 629238008 /nfs/dbraw/zinc/23/80/08/629238008.db2.gz RAYGIUZMPUXILN-CJNGLKHVSA-N 1 0 290.407 2.411 10 0 CEAERO CCc1cc2c(ncnc2N2CC[C@H]3[NH2+]CC[C@H]3C2)s1 ZINC000261811778 629252634 /nfs/dbraw/zinc/25/26/34/629252634.db2.gz SMDLINNGISGQMM-GXFFZTMASA-N 1 0 288.420 2.442 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000261825432 629259087 /nfs/dbraw/zinc/25/90/87/629259087.db2.gz UWJMOVUQOISNAS-UWVGGRQHSA-N 1 0 254.761 2.168 10 0 CEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1cc(Cl)ccc1F ZINC000142594966 629999748 /nfs/dbraw/zinc/99/97/48/629999748.db2.gz OQBOAYWPCLMDLJ-WDEREUQCSA-N 1 0 271.719 2.345 10 0 CEAERO CC(C)c1cc(C(=O)NCC2(C[NH+]3CCCC3)CC2)no1 ZINC000223546256 631122590 /nfs/dbraw/zinc/12/25/90/631122590.db2.gz BOTZRNGFBHKLSE-UHFFFAOYSA-N 1 0 291.395 2.404 10 0 CEAERO CC1(C)C[NH2+]C2(CCSCC2)O[C@@]12CCOC2 ZINC000757138279 631822208 /nfs/dbraw/zinc/82/22/08/631822208.db2.gz AYAQFEPLFVSEEE-GFCCVEGCSA-N 1 0 257.399 2.015 10 0 CEAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@]12CCCSC2 ZINC000757183322 631830463 /nfs/dbraw/zinc/83/04/63/631830463.db2.gz BECMSCSNYQZDFS-GWCFXTLKSA-N 1 0 257.399 2.061 10 0 CEAERO Cc1cc(NCC2([NH3+])CC2)ncc1Br ZINC000900409122 633706825 /nfs/dbraw/zinc/70/68/25/633706825.db2.gz KXRIRYASXZCICR-UHFFFAOYSA-N 1 0 256.147 2.056 10 0 CEAERO FC(F)(F)CCc1noc(CC[C@H]2CCC[NH2+]2)n1 ZINC000311080105 637253964 /nfs/dbraw/zinc/25/39/64/637253964.db2.gz LRZNHDOYRJPHBM-MRVPVSSYSA-N 1 0 263.263 2.249 10 0 CEAERO CCN(c1ncnc2c(C)csc21)[C@@H]1CC[NH2+]C1 ZINC000222335778 639373035 /nfs/dbraw/zinc/37/30/35/639373035.db2.gz ZMUARBAYJVAWGR-SNVBAGLBSA-N 1 0 262.382 2.188 10 0 CEAERO Cc1nn(C)c(Cl)c1CN[C@H](CC(C)C)C[NH+](C)C ZINC000164679597 639390106 /nfs/dbraw/zinc/39/01/06/639390106.db2.gz XAQKAPMFXMCWHI-GFCCVEGCSA-N 1 0 286.851 2.448 10 0 CEAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(F)c(C)c1 ZINC000166587986 639467732 /nfs/dbraw/zinc/46/77/32/639467732.db2.gz KTVJYXOGAMHXHZ-NEPJUHHUSA-N 1 0 251.301 2.000 10 0 CEAERO Cc1cc(Cl)ncc1NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000157418416 639485756 /nfs/dbraw/zinc/48/57/56/639485756.db2.gz AZHBEHNTOLMWLY-BDAKNGLRSA-N 1 0 253.733 2.109 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)/C=C/c1ccccc1F ZINC000157556081 639500173 /nfs/dbraw/zinc/50/01/73/639500173.db2.gz CCRKKHURKVBREB-DENSBJQYSA-N 1 0 262.328 2.083 10 0 CEAERO C[NH2+]C[C@@H]1CCCCN1c1ccc(C(F)(F)F)nn1 ZINC000167112866 639508230 /nfs/dbraw/zinc/50/82/30/639508230.db2.gz CVZDYDMOWSUDGE-VIFPVBQESA-N 1 0 274.290 2.074 10 0 CEAERO CCCCCC[N@@H+]1CCN(C[C@@H](C)O)[C@H](CC)C1 ZINC000157943791 639556928 /nfs/dbraw/zinc/55/69/28/639556928.db2.gz YEUOTCGCALVLSL-HUUCEWRRSA-N 1 0 256.434 2.344 10 0 CEAERO CO[C@@H](c1noc(C[C@@H]([NH3+])C(C)(C)C)n1)C1CC1 ZINC000227333757 639584862 /nfs/dbraw/zinc/58/48/62/639584862.db2.gz RODXQXLTNSOSHL-MWLCHTKSSA-N 1 0 253.346 2.083 10 0 CEAERO Cc1ccc(OC[C@H](C)NC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000227794494 639605624 /nfs/dbraw/zinc/60/56/24/639605624.db2.gz ABPLKBBIJOLMBG-MELADBBJSA-N 1 0 276.380 2.006 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@H]1Nc1nc(C(F)(F)F)ns1 ZINC000228790885 639658756 /nfs/dbraw/zinc/65/87/56/639658756.db2.gz GEGLJLGTFWIKDG-RNFRBKRXSA-N 1 0 280.319 2.486 10 0 CEAERO C[C@@H](Nc1nc(C2CC2)ns1)[C@@H]1CCC[NH2+]C1 ZINC000087642486 639697531 /nfs/dbraw/zinc/69/75/31/639697531.db2.gz JYUGRNALBCGTMO-PSASIEDQSA-N 1 0 252.387 2.216 10 0 CEAERO Cc1cccc(CCC(=O)N[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000061883613 639727480 /nfs/dbraw/zinc/72/74/80/639727480.db2.gz XIXZSUZWKOMAOC-GJZGRUSLSA-N 1 0 260.381 2.171 10 0 CEAERO Cc1nn(C)c(C)c1CN1CC[NH+](C[Si](C)(C)C)CC1 ZINC000171746363 639729235 /nfs/dbraw/zinc/72/92/35/639729235.db2.gz IBKSAAUXHJKNFM-UHFFFAOYSA-N 1 0 294.519 2.032 10 0 CEAERO [NH3+][C@H]1CC[C@@H](c2nc(COCC(F)(F)C(F)F)no2)C1 ZINC000230927354 639804968 /nfs/dbraw/zinc/80/49/68/639804968.db2.gz PGJOHDDZBKXMRA-RQJHMYQMSA-N 1 0 297.252 2.081 10 0 CEAERO CN(Cc1ccc(Br)cn1)[C@@H]1CCC[NH2+]CC1 ZINC000231456171 639854498 /nfs/dbraw/zinc/85/44/98/639854498.db2.gz QTGXBTHIDREIPJ-CYBMUJFWSA-N 1 0 298.228 2.418 10 0 CEAERO CN(Cc1ccn(-c2ccccc2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000231459979 639856952 /nfs/dbraw/zinc/85/69/52/639856952.db2.gz VLZAVTOQDRAHOU-MRXNPFEDSA-N 1 0 284.407 2.446 10 0 CEAERO CCn1cc(Cl)cc1C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000089090794 640040470 /nfs/dbraw/zinc/04/04/70/640040470.db2.gz ZAWRPYCGPFWWOB-ONGXEEELSA-N 1 0 269.776 2.019 10 0 CEAERO FC(F)(F)c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000250090405 640455139 /nfs/dbraw/zinc/45/51/39/640455139.db2.gz PHHURBZSANYKBU-NSHDSACASA-N 1 0 271.286 2.385 10 0 CEAERO CC(C)(C)OC(=O)NC1CC([NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000324540420 640673166 /nfs/dbraw/zinc/67/31/66/640673166.db2.gz SYDAFAZRYMUYRU-HTAVTVPLSA-N 1 0 286.416 2.039 10 0 CEAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000324566871 640685223 /nfs/dbraw/zinc/68/52/23/640685223.db2.gz VPGJSGNYMAOGGP-OLZOCXBDSA-N 1 0 271.788 2.370 10 0 CEAERO CNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000154385156 640880461 /nfs/dbraw/zinc/88/04/61/640880461.db2.gz XQZKPPTXPPMGGD-LLVKDONJSA-N 1 0 291.395 2.090 10 0 CEAERO Cc1cnn(-c2ccc(C(=O)N[C@@H]3CCC[C@H]3C[NH3+])cc2)c1 ZINC000237916514 641399005 /nfs/dbraw/zinc/39/90/05/641399005.db2.gz IKTXODKFGFBQKA-GOEBONIOSA-N 1 0 298.390 2.038 10 0 CEAERO COC(=O)C[C@H]([NH3+])c1cscc1Br ZINC000238364865 641474772 /nfs/dbraw/zinc/47/47/72/641474772.db2.gz UFRZFPXWEBPZFU-ZETCQYMHSA-N 1 0 264.144 2.074 10 0 CEAERO CCC[C@H](C(=O)N(Cc1ccccc1)OC)[NH+](C)C ZINC000180811453 641488646 /nfs/dbraw/zinc/48/86/46/641488646.db2.gz GNKMSAXCNJHVJV-CQSZACIVSA-N 1 0 264.369 2.307 10 0 CEAERO C[C@@H](CNS(=O)(=O)/C=C/c1ccccc1)[N@H+](C)C1CC1 ZINC000069129551 641500077 /nfs/dbraw/zinc/50/00/77/641500077.db2.gz IFTFHTBSCYTJGN-NHAQELONSA-N 1 0 294.420 2.059 10 0 CEAERO COC[C@H]([NH2+]C[C@](C)(O)c1ccccc1)c1ccco1 ZINC000184589732 641877521 /nfs/dbraw/zinc/87/75/21/641877521.db2.gz VMJGCUAWZKDUEF-HOCLYGCPSA-N 1 0 275.348 2.464 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1Nc1ncccc1Br ZINC000084212812 642315706 /nfs/dbraw/zinc/31/57/06/642315706.db2.gz IVFUKDZVIAYOGC-WPRPVWTQSA-N 1 0 270.174 2.383 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(F)(F)c1ccccc1 ZINC000113231527 644299181 /nfs/dbraw/zinc/29/91/81/644299181.db2.gz DFPCKTYQBQTELF-TZMCWYRMSA-N 1 0 294.345 2.474 10 0 CEAERO CC[NH+](CC)Cc1ccc(CNC(=O)n2ccnc2)cc1 ZINC000123512710 649016920 /nfs/dbraw/zinc/01/69/20/649016920.db2.gz PRZCFSOLPNYDLS-UHFFFAOYSA-N 1 0 286.379 2.483 10 0 CEAERO OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cl)cn1 ZINC000124847224 649751420 /nfs/dbraw/zinc/75/14/20/649751420.db2.gz HQVBRXYDKNLRIF-GWCFXTLKSA-N 1 0 254.761 2.376 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@@H](C)Cc2cccc(F)c2)C1 ZINC000128712841 651556934 /nfs/dbraw/zinc/55/69/34/651556934.db2.gz HBJQTPDZTXNSOH-BBRMVZONSA-N 1 0 280.387 2.067 10 0 CEAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(F)(F)c1ccccc1 ZINC000129366426 651933278 /nfs/dbraw/zinc/93/32/78/651933278.db2.gz SQTKREKIIMGMRY-FUNVUKJBSA-N 1 0 280.318 2.178 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1ccc(Br)cn1 ZINC000129522106 652007575 /nfs/dbraw/zinc/00/75/75/652007575.db2.gz IMIRQOBEXFQQDT-WPRPVWTQSA-N 1 0 270.174 2.397 10 0 CEAERO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)/C=C\c1ccccc1 ZINC000214358617 652377027 /nfs/dbraw/zinc/37/70/27/652377027.db2.gz KIPRCUPXDPCKIZ-QQYFDESBSA-N 1 0 294.420 2.189 10 0 CEAERO O[C@@H]1C[NH2+][C@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000131701860 652453080 /nfs/dbraw/zinc/45/30/80/652453080.db2.gz POFLYMLYUPSIQG-UWVGGRQHSA-N 1 0 299.252 2.151 10 0 CEAERO CC(C)Oc1cc(N2CCC([NH2+]CC3CC3)CC2)ncn1 ZINC000133686653 652704867 /nfs/dbraw/zinc/70/48/67/652704867.db2.gz YYDINEJTUYNZIF-UHFFFAOYSA-N 1 0 290.411 2.232 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@@H](C[NH3+])C[C@@H]1C1CC1 ZINC000215665866 652901274 /nfs/dbraw/zinc/90/12/74/652901274.db2.gz BTRIMTVHRBPUKJ-ZYHUDNBSSA-N 1 0 254.374 2.371 10 0 CEAERO CC[NH+](CC)[C@H]1CCN(C(=O)N2CCCCC2)C1 ZINC000135398017 652967800 /nfs/dbraw/zinc/96/78/00/652967800.db2.gz PZIYHWHRLLONMP-ZDUSSCGKSA-N 1 0 253.390 2.008 10 0 CEAERO CN(CC1CC[NH+](C)CC1)c1nc(Cl)nc2cc[nH]c21 ZINC000693043980 721930465 /nfs/dbraw/zinc/93/04/65/721930465.db2.gz LZKWCPKPNQQORH-UHFFFAOYSA-N 1 0 293.802 2.389 10 0 CEAERO CC[NH2+]CCCS(=O)(=O)c1cccc(Cl)c1 ZINC000081982426 177911618 /nfs/dbraw/zinc/91/16/18/177911618.db2.gz WUXFZQCSTQDEDI-UHFFFAOYSA-N 1 0 261.774 2.113 10 0 CEAERO C[NH2+][C@H]1CCCC[C@H]1S(=O)(=O)CC1CCCC1 ZINC000081991210 177915609 /nfs/dbraw/zinc/91/56/09/177915609.db2.gz HFWGNKAMUPVNHV-QWHCGFSZSA-N 1 0 259.415 2.122 10 0 CEAERO CC[NH2+][C@@H](C)CC[S@@](=O)c1ccccc1OC ZINC000082000105 177917693 /nfs/dbraw/zinc/91/76/93/177917693.db2.gz IMBKUVHNIDPYRG-GTNSWQLSSA-N 1 0 255.383 2.191 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(OC)nc2C)C1 ZINC000124406231 187135925 /nfs/dbraw/zinc/13/59/25/187135925.db2.gz MVSHJWPPHDLUKO-GFCCVEGCSA-N 1 0 292.383 2.004 10 0 CEAERO CN(C(=O)c1ccccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000082348256 177972355 /nfs/dbraw/zinc/97/23/55/177972355.db2.gz BZLXPFRGGPYGEI-SNVBAGLBSA-N 1 0 297.196 2.273 10 0 CEAERO C[C@@H]1CC[C@@H](C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)O1 ZINC000124574386 187143625 /nfs/dbraw/zinc/14/36/25/187143625.db2.gz ZYWXKYDTDWFYPT-UGFHNGPFSA-N 1 0 294.370 2.112 10 0 CEAERO O[C@H]1C[NH2+]C[C@@H]1Sc1cc(Cl)ccc1Cl ZINC000082525099 178088332 /nfs/dbraw/zinc/08/83/32/178088332.db2.gz UUTHAHSWDPJFNH-WPRPVWTQSA-N 1 0 264.177 2.418 10 0 CEAERO CS(=O)(=O)c1ccc([C@H]([NH3+])CCC(F)(F)F)cc1 ZINC000095770891 185027741 /nfs/dbraw/zinc/02/77/41/185027741.db2.gz MVQHMMMCSDIJED-SNVBAGLBSA-N 1 0 281.299 2.432 10 0 CEAERO [NH3+]CCc1nnc(-c2ccc(F)c(Cl)c2)s1 ZINC000082567680 178098421 /nfs/dbraw/zinc/09/84/21/178098421.db2.gz PJQFYCKUIBWEOP-UHFFFAOYSA-N 1 0 257.721 2.499 10 0 CEAERO CCO[C@H]1C[C@H]([N@H+](C)CCCCO)C12CCCC2 ZINC000121184858 365532357 /nfs/dbraw/zinc/53/23/57/365532357.db2.gz GVRZMBXUDIGATN-KBPBESRZSA-N 1 0 255.402 2.429 10 0 CEAERO COCC[NH2+]Cc1nc2cc(Br)ccc2[nH]1 ZINC000082583209 178120139 /nfs/dbraw/zinc/12/01/39/178120139.db2.gz QUINMXVSRHFDPW-UHFFFAOYSA-N 1 0 284.157 2.061 10 0 CEAERO CC1=CC[C@@](O)([C@H]2C[NH2+]CCN2Cc2ccccc2)C=C1 ZINC000095932571 185032556 /nfs/dbraw/zinc/03/25/56/185032556.db2.gz FSYUUHJQROISLT-QZTJIDSGSA-N 1 0 284.403 2.098 10 0 CEAERO C[C@@H]1CC[C@H](C(=O)NCCC[N@H+](C)Cc2ccccc2)O1 ZINC000124641424 187147024 /nfs/dbraw/zinc/14/70/24/187147024.db2.gz DAQOGKMAZGBEKN-GDBMZVCRSA-N 1 0 290.407 2.192 10 0 CEAERO [NH3+]Cc1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000082661980 178150122 /nfs/dbraw/zinc/15/01/22/178150122.db2.gz OLODIAZDFSKQBR-UHFFFAOYSA-N 1 0 259.206 2.489 10 0 CEAERO CC(C)C[C@@H](C[NH3+])Nc1ncc(Br)cn1 ZINC000082663588 178152320 /nfs/dbraw/zinc/15/23/20/178152320.db2.gz BWNLQNJDPJCWAK-VIFPVBQESA-N 1 0 273.178 2.024 10 0 CEAERO CN(CC[NH2+]C(C)(C)C)c1ncc(Br)cn1 ZINC000082669222 178155420 /nfs/dbraw/zinc/15/54/20/178155420.db2.gz BVCYJIGQXGUMNR-UHFFFAOYSA-N 1 0 287.205 2.063 10 0 CEAERO [NH3+]C[C@H](c1cnn(-c2ccccc2)c1)C(F)(F)F ZINC000082719119 178234127 /nfs/dbraw/zinc/23/41/27/178234127.db2.gz JCRQCLYJHZAXAL-LLVKDONJSA-N 1 0 255.243 2.477 10 0 CEAERO CN1c2ccc([C@@H]([NH3+])c3ccccc3F)cc2CC1=O ZINC000034940649 361798255 /nfs/dbraw/zinc/79/82/55/361798255.db2.gz IQKILVDTGPDPHL-MRXNPFEDSA-N 1 0 270.307 2.393 10 0 CEAERO Nc1c[nH+]ccc1N1CCN(c2cccc(F)c2)CC1 ZINC000033874905 361786050 /nfs/dbraw/zinc/78/60/50/361786050.db2.gz RNATUMSZJUQAAY-UHFFFAOYSA-N 1 0 272.327 2.130 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NCc2ccn(-c3ccccc3)n2)C1 ZINC000124901488 187160133 /nfs/dbraw/zinc/16/01/33/187160133.db2.gz HOLJDDFXSTWZQL-MRXNPFEDSA-N 1 0 284.407 2.446 10 0 CEAERO ClC(Cl)(Cl)c1n[nH]c([C@@H]2CCC[NH2+]2)n1 ZINC000082752662 178275906 /nfs/dbraw/zinc/27/59/06/178275906.db2.gz VCUBTSWPRIWNLY-BYPYZUCNSA-N 1 0 255.536 2.056 10 0 CEAERO C[C@H](C[NH3+])CS(=O)(=O)c1c(Cl)cccc1Cl ZINC000082790636 178296032 /nfs/dbraw/zinc/29/60/32/178296032.db2.gz XEKDZEZREHYABS-SSDOTTSWSA-N 1 0 282.192 2.362 10 0 CEAERO c1cnnc(N2CCC[C@H]([NH2+]C[C@H]3CC=CCC3)C2)c1 ZINC000122299480 365626704 /nfs/dbraw/zinc/62/67/04/365626704.db2.gz OIJDUMCMTQUWPJ-GJZGRUSLSA-N 1 0 272.396 2.391 10 0 CEAERO [NH3+][C@H]1CC[C@H]([S@](=O)c2ccc(Br)cc2)C1 ZINC000082820399 178317042 /nfs/dbraw/zinc/31/70/42/178317042.db2.gz KFJLTMWZCHMFJB-ZSGNIPIJSA-N 1 0 288.210 2.437 10 0 CEAERO [NH3+][C@H]1CC[C@@H]([S@](=O)c2cccc(Br)c2)C1 ZINC000082820195 178317068 /nfs/dbraw/zinc/31/70/68/178317068.db2.gz QRZCCTHRRGBDBH-ISOBSLSZSA-N 1 0 288.210 2.437 10 0 CEAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]C1CC(c2ccccc2F)C1 ZINC000336561681 365647960 /nfs/dbraw/zinc/64/79/60/365647960.db2.gz UCJQISFOEMGAJM-FLRBZUCHSA-N 1 0 276.355 2.328 10 0 CEAERO C[NH2+][C@@H](CO)CSc1ccc(Br)cc1 ZINC000082904608 178329487 /nfs/dbraw/zinc/32/94/87/178329487.db2.gz UUXWZIQZGQCICS-VIFPVBQESA-N 1 0 276.199 2.122 10 0 CEAERO [NH3+][C@]1(Cc2ccc(F)c(Br)c2)CCOC1 ZINC000083186589 178352274 /nfs/dbraw/zinc/35/22/74/178352274.db2.gz JNTZQQNANZZWLT-NSHDSACASA-N 1 0 274.133 2.249 10 0 CEAERO C[C@@H]1[NH2+]CCO[C@@H]1c1cccc(Br)c1 ZINC000096884378 185120253 /nfs/dbraw/zinc/12/02/53/185120253.db2.gz BACMQQRWZKODEZ-KWQFWETISA-N 1 0 256.143 2.499 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H](c2ccccc2Br)O1 ZINC000036673171 361850861 /nfs/dbraw/zinc/85/08/61/361850861.db2.gz CQFGVXSNTPGXLO-KWQFWETISA-N 1 0 256.143 2.499 10 0 CEAERO CC(C)CC[N@H+](C1CC1)[C@]1(CN)CCCOCC1 ZINC000096892637 185124584 /nfs/dbraw/zinc/12/45/84/185124584.db2.gz VXIQDQHSXSVBDQ-OAHLLOKOSA-N 1 0 254.418 2.395 10 0 CEAERO FC(F)(F)[C@H]1CC[N@H+](Cc2ccccc2)CCN1 ZINC000096897571 185126224 /nfs/dbraw/zinc/12/62/24/185126224.db2.gz LRQZRBYSHHJXHA-GFCCVEGCSA-N 1 0 258.287 2.413 10 0 CEAERO C[C@@H]([NH3+])C(=O)Nc1ccc(Br)cc1Cl ZINC000036963724 361874350 /nfs/dbraw/zinc/87/43/50/361874350.db2.gz FNBBJKGWAPKFNZ-RXMQYKEDSA-N 1 0 277.549 2.388 10 0 CEAERO CC(C)[C@](O)(C[NH3+])Cc1ccc(Br)cc1 ZINC000096944482 185134719 /nfs/dbraw/zinc/13/47/19/185134719.db2.gz LDJCJMGGQQRNCO-GFCCVEGCSA-N 1 0 272.186 2.337 10 0 CEAERO [NH3+]C1(C(=O)N[C@@H]2CCCc3ccccc32)CCCC1 ZINC000037616207 361911826 /nfs/dbraw/zinc/91/18/26/361911826.db2.gz RIDSNPOSMHOHDM-CQSZACIVSA-N 1 0 258.365 2.452 10 0 CEAERO c1ccc(CN2CCO[C@H]([C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000096949592 185138412 /nfs/dbraw/zinc/13/84/12/185138412.db2.gz HKXQKDJCCIHOPP-HOTGVXAUSA-N 1 0 260.381 2.030 10 0 CEAERO CC[C@@](O)(C[NH3+])Cc1ccc(Br)cc1 ZINC000096951353 185139646 /nfs/dbraw/zinc/13/96/46/185139646.db2.gz TXWVNBDEJCXCAN-NSHDSACASA-N 1 0 258.159 2.091 10 0 CEAERO CCN(CC)[C@H](C[NH3+])c1ccc2c(c1)OCCCO2 ZINC000037675127 361921246 /nfs/dbraw/zinc/92/12/46/361921246.db2.gz RSHNUJYIIWDTEN-CYBMUJFWSA-N 1 0 264.369 2.190 10 0 CEAERO CC(C)(C)OC(=O)N1Cc2cscc2[C@@H]([NH3+])C1 ZINC000096958632 185142714 /nfs/dbraw/zinc/14/27/14/185142714.db2.gz RAXAKPKQGDSFOB-JTQLQIEISA-N 1 0 254.355 2.499 10 0 CEAERO Fc1ccc(-n2cncc2C2C[NH2+]C2)cc1Cl ZINC000097014163 185151412 /nfs/dbraw/zinc/15/14/12/185151412.db2.gz FWUZGHYAZXWNKM-UHFFFAOYSA-N 1 0 251.692 2.352 10 0 CEAERO CC(C)(CO)[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000037888255 361959428 /nfs/dbraw/zinc/95/94/28/361959428.db2.gz IGQWNWPAJWERTI-HNNXBMFYSA-N 1 0 259.349 2.234 10 0 CEAERO CCN1CCO[C@H](C[NH2+]Cc2ccsc2Cl)C1 ZINC000312557217 539029028 /nfs/dbraw/zinc/02/90/28/539029028.db2.gz MXHUPTVPNBPXIP-LLVKDONJSA-N 1 0 274.817 2.212 10 0 CEAERO C[NH+](C)[C@H]1CCN(c2ncc(Br)cc2F)C1 ZINC000229537364 539166998 /nfs/dbraw/zinc/16/69/98/539166998.db2.gz QSILTLJPTKBMEX-VIFPVBQESA-N 1 0 288.164 2.124 10 0 CEAERO CC(C)(NC(=O)C1CCC([NH3+])CC1)c1nccs1 ZINC000226393438 539168258 /nfs/dbraw/zinc/16/82/58/539168258.db2.gz LCIRRPGPGCRWCN-UHFFFAOYSA-N 1 0 267.398 2.012 10 0 CEAERO [NH3+][C@H]1C[C@]12CNc1c2cc(Br)cc1Cl ZINC000725247494 539192726 /nfs/dbraw/zinc/19/27/26/539192726.db2.gz OJVUEEFXZFAXMS-WCBMZHEXSA-N 1 0 273.561 2.497 10 0 CEAERO COc1cccc(C[N@@H+]2CC[C@H](CCO)C2)c1F ZINC000124330492 539188476 /nfs/dbraw/zinc/18/84/76/539188476.db2.gz CFQVRAJGURGRTN-LLVKDONJSA-N 1 0 253.317 2.039 10 0 CEAERO CC(C)[C@H](C)NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])CC1 ZINC000725262546 539210927 /nfs/dbraw/zinc/21/09/27/539210927.db2.gz FZSMMRCTBGRQKE-AXFHLTTASA-N 1 0 295.349 2.342 10 0 CEAERO CC1(C(=O)N2CCC[C@H]([C@]34CC[C@@H]3CC[NH2+]4)C2)CC1 ZINC000725263663 539212376 /nfs/dbraw/zinc/21/23/76/539212376.db2.gz YZMVFKTXFNHJJI-WWGRRREGSA-N 1 0 262.397 2.167 10 0 CEAERO CC[C@H]1C[C@H]2CC[C@@H]([NH+]3CCOCC3)[C@@H](C1)C2=O ZINC000725268238 539214455 /nfs/dbraw/zinc/21/44/55/539214455.db2.gz UQWWCTGFSZUFCE-REWJHTLYSA-N 1 0 251.370 2.103 10 0 CEAERO CC[C@H]1CN2CCCC[C@H]2C[N@@H+]1CCOCC1CC1 ZINC000300404433 539249950 /nfs/dbraw/zinc/24/99/50/539249950.db2.gz XLMHFORZPCKFBB-HOTGVXAUSA-N 1 0 266.429 2.362 10 0 CEAERO [NH3+]C1(CC(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000398161581 539261413 /nfs/dbraw/zinc/26/14/13/539261413.db2.gz KTSWQZAXUMYDLH-CYBMUJFWSA-N 1 0 294.782 2.121 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(OC)ns1 ZINC000399013694 539263369 /nfs/dbraw/zinc/26/33/69/539263369.db2.gz BFCFSXZUSITCOW-NEPJUHHUSA-N 1 0 281.425 2.210 10 0 CEAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1cscc1Cl ZINC000309745978 539272945 /nfs/dbraw/zinc/27/29/45/539272945.db2.gz FPNCHMBQBWYXLZ-GMSGAONNSA-N 1 0 258.774 2.158 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]1)N[C@@H]1CCCc2ccccc21 ZINC000042166315 362065758 /nfs/dbraw/zinc/06/57/58/362065758.db2.gz WYNCGNOKVQEUNZ-UKRRQHHQSA-N 1 0 258.365 2.322 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1oc(C)nc1C ZINC000311829601 539286626 /nfs/dbraw/zinc/28/66/26/539286626.db2.gz LGECBYULQYGMRN-KGLIPLIRSA-N 1 0 263.385 2.350 10 0 CEAERO CCNC(=O)CC[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000135715996 539288585 /nfs/dbraw/zinc/28/85/85/539288585.db2.gz OUVISHFFUXZBBW-VIFPVBQESA-N 1 0 256.296 2.142 10 0 CEAERO COc1ccc([C@H]([NH2+]CCCn2ccnn2)C2CC2)cc1 ZINC000126532692 187246003 /nfs/dbraw/zinc/24/60/03/187246003.db2.gz ZWVVODLYFJKVPZ-MRXNPFEDSA-N 1 0 286.379 2.418 10 0 CEAERO Cc1cnn(CC[NH2+][C@@H]2CCCc3cccnc32)c1 ZINC000236009673 539300868 /nfs/dbraw/zinc/30/08/68/539300868.db2.gz PKNLFEVXZYMJMW-CQSZACIVSA-N 1 0 256.353 2.254 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH3+])CSC(C)(C)C ZINC000083490527 178513553 /nfs/dbraw/zinc/51/35/53/178513553.db2.gz XJOFIQUKYMYXPX-JTQLQIEISA-N 1 0 267.460 2.060 10 0 CEAERO Cc1c(-c2ccccc2)[nH]c(=O)n1C1CC[NH2+]CC1 ZINC000034508410 343420030 /nfs/dbraw/zinc/42/00/30/343420030.db2.gz QUFDQKFDSLTMEM-UHFFFAOYSA-N 1 0 257.337 2.076 10 0 CEAERO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@@H](CO)CC(C)C)c1 ZINC000040776987 343438147 /nfs/dbraw/zinc/43/81/47/343438147.db2.gz DTRJLFYUFXCZHF-HZPDHXFCSA-N 1 0 295.423 2.040 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)C(C)(C)c2ccccc2)C1 ZINC000082285872 282261145 /nfs/dbraw/zinc/26/11/45/282261145.db2.gz HGCFBRWBSGDFQI-AWEZNQCLSA-N 1 0 260.381 2.127 10 0 CEAERO O[C@H]1CCC[C@H]([NH2+]Cc2cnn(-c3ccccc3)c2)C1 ZINC000037164971 343426075 /nfs/dbraw/zinc/42/60/75/343426075.db2.gz WWYBZWQPFFHQAC-HOCLYGCPSA-N 1 0 271.364 2.265 10 0 CEAERO COc1cc(C[NH2+][C@H]2CCC[C@H](O)C2)cc(OC)c1 ZINC000037166291 343426177 /nfs/dbraw/zinc/42/61/77/343426177.db2.gz GENFFKDUGGLNKF-STQMWFEESA-N 1 0 265.353 2.097 10 0 CEAERO O[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3cccn3)cc2)C1 ZINC000037321376 343426513 /nfs/dbraw/zinc/42/65/13/343426513.db2.gz WZNDOYFDGCSLPK-ZBFHGGJFSA-N 1 0 271.364 2.265 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000037803943 343431505 /nfs/dbraw/zinc/43/15/05/343431505.db2.gz CMKLLOJFTNFESF-BDJLRTHQSA-N 1 0 285.391 2.426 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(C2CC2)C2CC2)C1 ZINC000127345780 365743499 /nfs/dbraw/zinc/74/34/99/365743499.db2.gz KRXUXKVYPBYYGR-RISCZKNCSA-N 1 0 264.413 2.268 10 0 CEAERO CCOC(=O)c1cccc(NC(=O)C2(C[NH3+])CCCC2)c1 ZINC000127922211 187341078 /nfs/dbraw/zinc/34/10/78/187341078.db2.gz PVSVGXNVXPSFDW-UHFFFAOYSA-N 1 0 290.363 2.321 10 0 CEAERO Nc1cc[nH+]cc1C(=O)Nc1ccc2c(c1)CCC2 ZINC000126883890 187267338 /nfs/dbraw/zinc/26/73/38/187267338.db2.gz KJPWQRNZJQTQCG-UHFFFAOYSA-N 1 0 253.305 2.405 10 0 CEAERO CCSCC[C@@H](C)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000601976487 346948071 /nfs/dbraw/zinc/94/80/71/346948071.db2.gz QXCNVOZDOQBQRF-DYEKYZERSA-N 1 0 270.442 2.024 10 0 CEAERO [NH3+]Cc1cnnn1-c1ccc(OCc2ccccc2)cc1 ZINC000062261525 343670709 /nfs/dbraw/zinc/67/07/09/343670709.db2.gz IQYLTRCGOQDSIM-UHFFFAOYSA-N 1 0 280.331 2.305 10 0 CEAERO [NH3+]C[C@H](c1ccc(Br)cc1)[C@H](O)C(F)(F)F ZINC000083562690 178581118 /nfs/dbraw/zinc/58/11/18/178581118.db2.gz VKOZKSSOMGYDSX-BDAKNGLRSA-N 1 0 298.102 2.415 10 0 CEAERO COc1ccc(F)cc1C[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000295078722 199334652 /nfs/dbraw/zinc/33/46/52/199334652.db2.gz RRVRHXGXSJULNG-MFKMUULPSA-N 1 0 253.317 2.180 10 0 CEAERO Cc1cc(C)cc(CN2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000128113143 187351592 /nfs/dbraw/zinc/35/15/92/187351592.db2.gz FIVDEBVLPFMJRZ-MRXNPFEDSA-N 1 0 262.397 2.066 10 0 CEAERO Cc1cc(F)ccc1C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000127077827 187280103 /nfs/dbraw/zinc/28/01/03/187280103.db2.gz SWVDRHLWSPWQOQ-ZWNOBZJWSA-N 1 0 250.317 2.004 10 0 CEAERO CCCc1nnc(NC[C@@H](C2CC2)[NH+](C)C)s1 ZINC000091481638 344164755 /nfs/dbraw/zinc/16/47/55/344164755.db2.gz UCCSQUGPINGHPV-JTQLQIEISA-N 1 0 254.403 2.243 10 0 CEAERO CN(C)C(=O)C1=CCC2(CC[NH2+]CC2)c2ccccc21 ZINC000140982979 344399807 /nfs/dbraw/zinc/39/98/07/344399807.db2.gz ZTYKXANTBIJDMZ-UHFFFAOYSA-N 1 0 270.376 2.183 10 0 CEAERO C[C@]1(C[NH2+]C[C@H](O)COCc2ccco2)CCCS1 ZINC000155658474 344438936 /nfs/dbraw/zinc/43/89/36/344438936.db2.gz SWRRPIYZSBSEAT-GXTWGEPZSA-N 1 0 285.409 2.032 10 0 CEAERO O[C@@]1(C2=CCCO2)CCC[N@H+](Cc2ccccc2)C1 ZINC000160544313 344459379 /nfs/dbraw/zinc/45/93/79/344459379.db2.gz MZTXRNGMSARMRQ-INIZCTEOSA-N 1 0 259.349 2.318 10 0 CEAERO [NH3+][C@@H]1CCO[C@@H]1c1ccc(Br)c(F)c1 ZINC000162031533 344466132 /nfs/dbraw/zinc/46/61/32/344466132.db2.gz ZNYBJLHADOIIBV-NXEZZACHSA-N 1 0 260.106 2.377 10 0 CEAERO NC(=[NH2+])c1cc(Br)ccc1NC1CC1 ZINC000165274197 344473874 /nfs/dbraw/zinc/47/38/74/344473874.db2.gz QISHKABLUGSKJK-UHFFFAOYSA-N 1 0 254.131 2.307 10 0 CEAERO Cc1cc(Cl)ccc1OCC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170863478 344491927 /nfs/dbraw/zinc/49/19/27/344491927.db2.gz FNTAQCDWQMEHRT-ZDUSSCGKSA-N 1 0 296.798 2.190 10 0 CEAERO Cc1ccc(NC(=O)N2CC[C@H]([NH+](C)C)C2)c(F)c1 ZINC000171070270 344495302 /nfs/dbraw/zinc/49/53/02/344495302.db2.gz HQZOQOZIGHJVGX-NSHDSACASA-N 1 0 265.332 2.302 10 0 CEAERO C[C@H]([NH3+])c1cc2cccc(Cl)c2nc1SCC(N)=O ZINC000230450251 344572741 /nfs/dbraw/zinc/57/27/41/344572741.db2.gz JAZAZBUNLKVFQE-ZETCQYMHSA-N 1 0 295.795 2.485 10 0 CEAERO [NH3+]C1(C(=O)Cc2ccc(Br)cc2)CC1 ZINC000226434835 344549745 /nfs/dbraw/zinc/54/97/45/344549745.db2.gz DKDROCZDAUBKQN-UHFFFAOYSA-N 1 0 254.127 2.052 10 0 CEAERO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CCC[NH2+]CC2)c(C)c1 ZINC000226463974 344550282 /nfs/dbraw/zinc/55/02/82/344550282.db2.gz JBVKJJQESUTKJD-CQSZACIVSA-N 1 0 296.436 2.066 10 0 CEAERO CCc1cc(N2CCc3ccccc3[C@@H]2C[NH3+])nc(C)n1 ZINC000227724848 344556414 /nfs/dbraw/zinc/55/64/14/344556414.db2.gz IXWMXLHJHKJWQF-INIZCTEOSA-N 1 0 282.391 2.410 10 0 CEAERO CCCCOC[C@@H](O)C[NH2+]C[C@H]1CCCCS1 ZINC000227894581 344557621 /nfs/dbraw/zinc/55/76/21/344557621.db2.gz OJAUKWMGESHBQH-QWHCGFSZSA-N 1 0 261.431 2.039 10 0 CEAERO CCS(=O)(=O)c1ccccc1N[C@@H](C)C[C@@H](C)[NH3+] ZINC000228267713 344559960 /nfs/dbraw/zinc/55/99/60/344559960.db2.gz ABBYILZJEAALKD-MNOVXSKESA-N 1 0 270.398 2.018 10 0 CEAERO CSC[C@@H](C)[NH2+][C@@H](C)CNC(=O)OC(C)(C)C ZINC000235035340 344588898 /nfs/dbraw/zinc/58/88/98/344588898.db2.gz JYFLYNFNZXMWBF-VHSXEESVSA-N 1 0 262.419 2.241 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCCNC1=O)c1ccc2c(c1)CCC2 ZINC000050394783 362418438 /nfs/dbraw/zinc/41/84/38/362418438.db2.gz KNANDIWNJCPKST-IAQYHMDHSA-N 1 0 258.365 2.105 10 0 CEAERO COC(=O)c1oc(C[N@@H+]2CCC[C@@H]2CCCO)cc1C ZINC000052762211 362473331 /nfs/dbraw/zinc/47/33/31/362473331.db2.gz AAGUWIZZMPOESQ-GFCCVEGCSA-N 1 0 281.352 2.112 10 0 CEAERO CCSCC[C@H](C)N(C)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000262287865 344654464 /nfs/dbraw/zinc/65/44/64/344654464.db2.gz MTNPLLUAFYDLFW-XQQFMLRXSA-N 1 0 272.458 2.494 10 0 CEAERO C[C@@H](CC[N@@H+]1CCCNC(=O)[C@H]1C)c1ccccc1 ZINC000248884390 344626348 /nfs/dbraw/zinc/62/63/48/344626348.db2.gz LQCHMSWTBXLYIM-UONOGXRCSA-N 1 0 260.381 2.391 10 0 CEAERO CC(C)c1nsc(N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)n1 ZINC000252872692 344642287 /nfs/dbraw/zinc/64/22/87/344642287.db2.gz UGGHHCDTUHLLBI-DCAQKATOSA-N 1 0 266.414 2.225 10 0 CEAERO C[C@H]([C@@H]([NH3+])c1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000307144014 344720368 /nfs/dbraw/zinc/72/03/68/344720368.db2.gz LKTXRDJQQSLQOD-IAQYHMDHSA-N 1 0 280.327 2.371 10 0 CEAERO CC1(C(=O)c2sccc2Br)C[NH2+]C1 ZINC000307175068 344720848 /nfs/dbraw/zinc/72/08/48/344720848.db2.gz RPMLTWRAULFVSP-UHFFFAOYSA-N 1 0 260.156 2.303 10 0 CEAERO [NH3+][C@@H]1CCO[C@@H]1c1cccc(I)c1 ZINC000307436650 344722868 /nfs/dbraw/zinc/72/28/68/344722868.db2.gz RGSGCTOLOKXPJU-NXEZZACHSA-N 1 0 289.116 2.080 10 0 CEAERO Cc1ccnc(O[C@H]2CCN(C)C2)c1Br ZINC000307670768 344724015 /nfs/dbraw/zinc/72/40/15/344724015.db2.gz VLTOKHZUCFDBOR-VIFPVBQESA-N 1 0 271.158 2.235 10 0 CEAERO OC[C@@H]1C[C@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000308942852 344728580 /nfs/dbraw/zinc/72/85/80/344728580.db2.gz QZAWYRIFRZJFOB-GZMMTYOYSA-N 1 0 274.133 2.059 10 0 CEAERO Cc1cccc(OCC[NH2+]C[C@@H](O)C(C)(C)C)c1 ZINC000310726025 344731034 /nfs/dbraw/zinc/73/10/34/344731034.db2.gz UHEOLQDIKQKEET-CQSZACIVSA-N 1 0 251.370 2.370 10 0 CEAERO CCC[C@@H]1C[C@H]1NC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000300407758 344699571 /nfs/dbraw/zinc/69/95/71/344699571.db2.gz UHEKDEAUBOUZRT-YUELXQCFSA-N 1 0 258.365 2.178 10 0 CEAERO CCS[C@@H]1CCC[C@H]1NC(=O)C[C@H]([NH3+])C(C)C ZINC000300423711 344699996 /nfs/dbraw/zinc/69/99/96/344699996.db2.gz JWXCGZOWNQZPDG-QJPTWQEYSA-N 1 0 258.431 2.150 10 0 CEAERO C[C@H]1CS[C@]2(CCN(C(=O)OC(C)(C)C)C2)[NH2+]1 ZINC000306594049 344715313 /nfs/dbraw/zinc/71/53/13/344715313.db2.gz XHRUYGWQJFUQCZ-CABZTGNLSA-N 1 0 258.387 2.048 10 0 CEAERO C[C@@H]1CS[C@@]2(CCN(C(=O)OC(C)(C)C)C2)[NH2+]1 ZINC000306594048 344715340 /nfs/dbraw/zinc/71/53/40/344715340.db2.gz XHRUYGWQJFUQCZ-BXKDBHETSA-N 1 0 258.387 2.048 10 0 CEAERO [NH3+][C@@H]1CCCO[C@H]1c1cnn(Cc2ccccc2)c1 ZINC000306598706 344715342 /nfs/dbraw/zinc/71/53/42/344715342.db2.gz QLHNFDHMABRUDC-CABCVRRESA-N 1 0 257.337 2.110 10 0 CEAERO [NH3+]Cc1ccn(Cc2coc(Br)c2)c1 ZINC000306672463 344716217 /nfs/dbraw/zinc/71/62/17/344716217.db2.gz MAOXGGGQTVKZJS-UHFFFAOYSA-N 1 0 255.115 2.351 10 0 CEAERO O[C@@H](C[NH2+][C@H](C1CC1)C1CCC1)COCc1ccco1 ZINC000324990344 344754579 /nfs/dbraw/zinc/75/45/79/344754579.db2.gz VGTSGGPRNABJQH-HOCLYGCPSA-N 1 0 279.380 2.325 10 0 CEAERO NC(=O)c1csc(CN(C[C@H]2CCC[NH2+]2)C2CC2)c1 ZINC000328620696 344755759 /nfs/dbraw/zinc/75/57/59/344755759.db2.gz AAKPGBSEMCFPNS-LLVKDONJSA-N 1 0 279.409 2.348 10 0 CEAERO CCCOc1ccc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)cc1 ZINC000392927751 344839700 /nfs/dbraw/zinc/83/97/00/344839700.db2.gz CXZRRRPIDTYNEX-DOMZBBRYSA-N 1 0 276.380 2.232 10 0 CEAERO COc1cc(N[C@H](C)[C@@H](C)[NH3+])c([N+](=O)[O-])cc1C ZINC000381719557 344825367 /nfs/dbraw/zinc/82/53/67/344825367.db2.gz JNDIBDXMHZIYDP-RKDXNWHRSA-N 1 0 253.302 2.059 10 0 CEAERO CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCN(CCO)C2)C1 ZINC000384561318 344828423 /nfs/dbraw/zinc/82/84/23/344828423.db2.gz KBFMIQZQIHRIQO-RBSFLKMASA-N 1 0 254.418 2.002 10 0 CEAERO CCOC(=O)CC[C@@H](O)C[NH2+][C@H](C)c1cccs1 ZINC000385697727 344830200 /nfs/dbraw/zinc/83/02/00/344830200.db2.gz PGQMFUOWLOUVBS-GHMZBOCLSA-N 1 0 271.382 2.103 10 0 CEAERO CCOC(=O)CC[C@H](O)C[NH2+][C@@H](C)c1cccc(C)c1 ZINC000385458748 344830467 /nfs/dbraw/zinc/83/04/67/344830467.db2.gz VHDRTVKNMSWALC-ZFWWWQNUSA-N 1 0 279.380 2.350 10 0 CEAERO CCOC(=O)CN(Cc1ccccc1)C[C@H]1CCC[N@@H+]1C ZINC000387384075 344832952 /nfs/dbraw/zinc/83/29/52/344832952.db2.gz JMKIIRHIAXPQIP-MRXNPFEDSA-N 1 0 290.407 2.146 10 0 CEAERO C[C@H](CCc1ccccc1)[NH2+]C1CCN(CCO)CC1 ZINC000399019568 344856420 /nfs/dbraw/zinc/85/64/20/344856420.db2.gz GXAHIJZZRLBHPC-OAHLLOKOSA-N 1 0 276.424 2.054 10 0 CEAERO CC[C@@H]([NH2+]C1CCN(CCO)CC1)c1ccccc1 ZINC000399116527 344857088 /nfs/dbraw/zinc/85/70/88/344857088.db2.gz MVQJUSYSGZDOOL-MRXNPFEDSA-N 1 0 262.397 2.184 10 0 CEAERO Fc1ccc(CN2CC[C@@H]3OCC[NH2+][C@H]3C2)c(Cl)c1 ZINC000404288513 344878995 /nfs/dbraw/zinc/87/89/95/344878995.db2.gz ZBRXOPMTBANROM-KBPBESRZSA-N 1 0 284.762 2.042 10 0 CEAERO Fc1ccc(CN2CC[C@H]3OCC[NH2+][C@@H]3C2)c(Cl)c1 ZINC000404288778 344879165 /nfs/dbraw/zinc/87/91/65/344879165.db2.gz ZBRXOPMTBANROM-ZIAGYGMSSA-N 1 0 284.762 2.042 10 0 CEAERO C[C@H]([NH3+])CCC[S@](=O)c1ccc2c(c1)CCC2 ZINC000084030954 178773330 /nfs/dbraw/zinc/77/33/30/178773330.db2.gz KWMVEYRVXLBSOQ-APPDUMDISA-N 1 0 251.395 2.410 10 0 CEAERO CC(C)(C)OC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1C(F)(F)F ZINC000521399022 344928139 /nfs/dbraw/zinc/92/81/39/344928139.db2.gz QYQCZITWJGCWFA-IUCAKERBSA-N 1 0 282.306 2.299 10 0 CEAERO C[NH2+][C@H](COC)c1cc(Br)cs1 ZINC000084100668 178789713 /nfs/dbraw/zinc/78/97/13/178789713.db2.gz HMWAILIXFVLAAA-SSDOTTSWSA-N 1 0 250.161 2.418 10 0 CEAERO O[C@@H](C[NH2+]CCNCc1ccccc1)c1ccccc1 ZINC000584596057 344961250 /nfs/dbraw/zinc/96/12/50/344961250.db2.gz KRTCIHDCFGSTCH-KRWDZBQOSA-N 1 0 270.376 2.099 10 0 CEAERO CCOc1ccc([C@H](O)[C@H](C)[N@@H+]2CCCN(C)CC2)cc1 ZINC000584617101 344965886 /nfs/dbraw/zinc/96/58/86/344965886.db2.gz IAUOVIZMDZJGOS-WMLDXEAASA-N 1 0 292.423 2.145 10 0 CEAERO COc1ccccc1OCC[NH2+]CCCCCOC(C)=O ZINC000584620317 344966953 /nfs/dbraw/zinc/96/69/53/344966953.db2.gz GMQNFSLKCNFNKB-UHFFFAOYSA-N 1 0 295.379 2.397 10 0 CEAERO O[C@@H](C[NH2+]C1CCCC1)[C@H]1CCc2ccccc2O1 ZINC000584626503 344968329 /nfs/dbraw/zinc/96/83/29/344968329.db2.gz OUWPAYZEXUXLSD-GOEBONIOSA-N 1 0 261.365 2.273 10 0 CEAERO CN1c2ccccc2-c2cc(F)ccc2[C@@H]([NH3+])C1=O ZINC000584640259 344971738 /nfs/dbraw/zinc/97/17/38/344971738.db2.gz UMXGBQXFGUHKEE-CQSZACIVSA-N 1 0 256.280 2.469 10 0 CEAERO C[NH+]1CCC2(CC1)OC(=O)c1ccc(Cl)cc12 ZINC000584651525 344973449 /nfs/dbraw/zinc/97/34/49/344973449.db2.gz JGCJYJWAJJXPPT-UHFFFAOYSA-N 1 0 251.713 2.431 10 0 CEAERO CCOC(=O)[C@H](CC)N1CCCC[C@@H]1C[NH2+]C(C)C ZINC000084107108 178794077 /nfs/dbraw/zinc/79/40/77/178794077.db2.gz VRNQUTGQIUHKGB-KGLIPLIRSA-N 1 0 270.417 2.181 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)C[C@@H]2CC[NH2+]C2)c(C)c1 ZINC000089743458 260238726 /nfs/dbraw/zinc/23/87/26/260238726.db2.gz MRPWXZNHRDKVME-KGLIPLIRSA-N 1 0 260.381 2.480 10 0 CEAERO C[C@H]1[C@@H](O)CCCN1Cc1nc(-c2ccsc2)no1 ZINC000295093498 199341431 /nfs/dbraw/zinc/34/14/31/199341431.db2.gz AGZFRUCWAYRKAX-ONGXEEELSA-N 1 0 279.365 2.143 10 0 CEAERO COC(=O)c1c(C)c(C)sc1NC(=O)CC(C)(C)[NH3+] ZINC000084184568 178818724 /nfs/dbraw/zinc/81/87/24/178818724.db2.gz JLMPIAAXQQOFLI-UHFFFAOYSA-N 1 0 284.381 2.217 10 0 CEAERO COCc1cccc(NC(=O)C[C@H]2CCC[NH2+]C2)c1 ZINC000054291628 362523014 /nfs/dbraw/zinc/52/30/14/362523014.db2.gz KJKIEYRLCDSONI-GFCCVEGCSA-N 1 0 262.353 2.161 10 0 CEAERO CC(=O)Nc1ccc(C)c(NC(=O)C[C@H]2CCC[NH2+]C2)c1 ZINC000054306358 362525258 /nfs/dbraw/zinc/52/52/58/362525258.db2.gz UBPNAXPGRQPQDP-CYBMUJFWSA-N 1 0 289.379 2.282 10 0 CEAERO CCc1cc2c(ncnc2N2CC[NH2+]C[C@H]2C)s1 ZINC000054375264 362533937 /nfs/dbraw/zinc/53/39/37/362533937.db2.gz QDYCKSSQQIDOTB-SECBINFHSA-N 1 0 262.382 2.052 10 0 CEAERO Cc1ccccc1CN(CC[NH+](C)C)Cc1ncc[nH]1 ZINC000055108051 362544295 /nfs/dbraw/zinc/54/42/95/362544295.db2.gz OLDCWTQYRLGWFL-UHFFFAOYSA-N 1 0 272.396 2.282 10 0 CEAERO C[C@H]1CC[C@@H](C[NH3+])[C@H](S(=O)(=O)Cc2ccccc2)C1 ZINC000084268933 178835729 /nfs/dbraw/zinc/83/57/29/178835729.db2.gz JAUSPWVQOKSCOW-AEGPPILISA-N 1 0 281.421 2.365 10 0 CEAERO [NH3+][C@H](CCc1ccncc1)c1ccc2c(c1)OCCO2 ZINC000097077972 185521981 /nfs/dbraw/zinc/52/19/81/185521981.db2.gz OXFIXROXSLFWNN-CQSZACIVSA-N 1 0 270.332 2.485 10 0 CEAERO CN(CCCc1ccccc1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000097093202 185528693 /nfs/dbraw/zinc/52/86/93/185528693.db2.gz VXNQAJOHVJIOBC-GJZGRUSLSA-N 1 0 260.381 2.205 10 0 CEAERO COC[C@H](C)N(C)[C@@H](C)C[NH2+]Cc1cccs1 ZINC000053495140 522594771 /nfs/dbraw/zinc/59/47/71/522594771.db2.gz OUTFFSKBGSLZIG-RYUDHWBXSA-N 1 0 256.415 2.193 10 0 CEAERO CC[NH2+][C@H](C)C[C@H](C)S(=O)(=O)CC1CCCC1 ZINC000084357926 178868439 /nfs/dbraw/zinc/86/84/39/178868439.db2.gz VOKIQYBWCFAPJO-NEPJUHHUSA-N 1 0 261.431 2.368 10 0 CEAERO CCCCN(CC)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000057870112 362597476 /nfs/dbraw/zinc/59/74/76/362597476.db2.gz WOIKBPGWWRKRBO-CYBMUJFWSA-N 1 0 255.406 2.302 10 0 CEAERO C[NH2+][C@H]1CCC[C@@H](S(=O)(=O)Cc2ccccc2)C1 ZINC000084430025 178886047 /nfs/dbraw/zinc/88/60/47/178886047.db2.gz MBJHYKVCAZPCFE-UONOGXRCSA-N 1 0 267.394 2.132 10 0 CEAERO CCC[NH2+][C@@H](CC1CCC1)C[C@H]1CCS(=O)(=O)C1 ZINC000097195972 185559171 /nfs/dbraw/zinc/55/91/71/185559171.db2.gz BQDRLITYNBUION-KGLIPLIRSA-N 1 0 273.442 2.370 10 0 CEAERO CC[NH2+][C@H](COC(C)(C)C)Cc1ncnn1C(C)C ZINC000097277368 185576453 /nfs/dbraw/zinc/57/64/53/185576453.db2.gz MAFBGRFOOQZTIB-LBPRGKRZSA-N 1 0 268.405 2.195 10 0 CEAERO CCCOCC[C@@H](Cc1ncnn1C(C)C)[NH2+]CC ZINC000097277462 185576521 /nfs/dbraw/zinc/57/65/21/185576521.db2.gz URNPGPIGVWEINF-ZDUSSCGKSA-N 1 0 268.405 2.196 10 0 CEAERO CCc1cc(C[C@@H]([NH2+]C)c2ccc(C)nc2C)n(C)n1 ZINC000097276845 185576742 /nfs/dbraw/zinc/57/67/42/185576742.db2.gz IDAJDYAJJGHYRK-MRXNPFEDSA-N 1 0 272.396 2.498 10 0 CEAERO C[NH2+][C@H](Cc1nn(C)c2ccccc12)C[C@@H](C)COC ZINC000097279443 185577785 /nfs/dbraw/zinc/57/77/85/185577785.db2.gz UWUPUPHEAJWCHY-OLZOCXBDSA-N 1 0 275.396 2.376 10 0 CEAERO CCc1cc(C[C@@H]([NH3+])c2cncc(F)c2)n(CC)n1 ZINC000097280017 185578017 /nfs/dbraw/zinc/57/80/17/185578017.db2.gz UUFLGDZNVCIYRB-CQSZACIVSA-N 1 0 262.332 2.242 10 0 CEAERO Cc1c([C@@H]([NH3+])[C@@H]2CCOC3(CCCC3)C2)cnn1C ZINC000097338336 185587116 /nfs/dbraw/zinc/58/71/16/185587116.db2.gz BLQWGCOWMUMNAG-OCCSQVGLSA-N 1 0 263.385 2.468 10 0 CEAERO [NH3+][C@H](c1ccnnc1)[C@@H]1CCOC2(CCSCC2)C1 ZINC000097340428 185587227 /nfs/dbraw/zinc/58/72/27/185587227.db2.gz SRWZLYQUIZPVCH-YPMHNXCESA-N 1 0 279.409 2.169 10 0 CEAERO [NH3+][C@@H](C[C@@H]1CCS(=O)(=O)C1)c1ccc2cccnc2c1 ZINC000097344766 185587315 /nfs/dbraw/zinc/58/73/15/185587315.db2.gz OJPZKSIIBPHGKJ-FZMZJTMJSA-N 1 0 290.388 2.059 10 0 CEAERO C[NH2+][C@@H](c1cccc2c1OCCO2)C1=COCCC1 ZINC000097389359 185595862 /nfs/dbraw/zinc/59/58/62/185595862.db2.gz AZLATRCNNFONLX-CQSZACIVSA-N 1 0 261.321 2.413 10 0 CEAERO OC[C@]1(Cc2ccc(Br)cc2F)CC[NH2+]C1 ZINC000085042480 178944222 /nfs/dbraw/zinc/94/42/22/178944222.db2.gz OGIXDDLXZZVFPY-LBPRGKRZSA-N 1 0 288.160 2.103 10 0 CEAERO OC[C@@]1(Cc2ccc(F)cc2Br)CC[NH2+]C1 ZINC000085042240 178944737 /nfs/dbraw/zinc/94/47/37/178944737.db2.gz UBNGJPCODXCBNV-GFCCVEGCSA-N 1 0 288.160 2.103 10 0 CEAERO C[NH2+]CC[C@](C)(O)Cc1ccccc1Br ZINC000084997442 178941329 /nfs/dbraw/zinc/94/13/29/178941329.db2.gz UILKOBFQCBNHMA-LBPRGKRZSA-N 1 0 272.186 2.352 10 0 CEAERO CCC[NH2+]C[C@@H](O)Cc1cccc(Br)c1 ZINC000084993203 178941724 /nfs/dbraw/zinc/94/17/24/178941724.db2.gz FNYGIEDRKPMQOT-LBPRGKRZSA-N 1 0 272.186 2.352 10 0 CEAERO COCc1ccccc1[C@H](CC(=O)OC)C(C)(C)[NH3+] ZINC000097433854 185602818 /nfs/dbraw/zinc/60/28/18/185602818.db2.gz SJUVVOOJEOTPLN-ZDUSSCGKSA-N 1 0 265.353 2.217 10 0 CEAERO COC(=O)C[C@H](c1ccc(OC)cc1)C(C)(C)[NH3+] ZINC000097433818 185603069 /nfs/dbraw/zinc/60/30/69/185603069.db2.gz WMIWKTGRCUDSRI-GFCCVEGCSA-N 1 0 251.326 2.079 10 0 CEAERO CCN(CC)CC[NH2+][C@]1(CO)CCC[C@H](C)[C@@H]1C ZINC000085114527 178951433 /nfs/dbraw/zinc/95/14/33/178951433.db2.gz HZXBDAPMPSMNDK-KKUMJFAQSA-N 1 0 256.434 2.105 10 0 CEAERO C[C@H]([NH3+])[C@](C)(CCO)c1ccc(Br)cc1 ZINC000085119636 178952230 /nfs/dbraw/zinc/95/22/30/178952230.db2.gz QHDNYSOKDAHVQG-CABZTGNLSA-N 1 0 272.186 2.436 10 0 CEAERO COc1ccc(Br)cc1[C@H](O)C(C)(C)[NH3+] ZINC000085071757 178948069 /nfs/dbraw/zinc/94/80/69/178948069.db2.gz BIMRVLXGFOUJKS-JTQLQIEISA-N 1 0 274.158 2.228 10 0 CEAERO CC[C@H](C)[NH2+][C@]1(C(N)=O)CCC[C@H](C(F)(F)F)C1 ZINC000085130659 178953627 /nfs/dbraw/zinc/95/36/27/178953627.db2.gz WKGUEZSZOCDQNB-ATZCPNFKSA-N 1 0 266.307 2.351 10 0 CEAERO C[NH+](C)C[C@H](NC(=O)[C@H]1C[C@@H]1C1CC1)c1ccccc1 ZINC000176584833 232331527 /nfs/dbraw/zinc/33/15/27/232331527.db2.gz LSIZZGHOSIJEFI-PMPSAXMXSA-N 1 0 272.392 2.452 10 0 CEAERO CCC(CC)n1ccc(CN2[C@@H](C)C[NH2+]C[C@@H]2C)n1 ZINC000085180957 178964319 /nfs/dbraw/zinc/96/43/19/178964319.db2.gz PSAJHOPTYJJBFM-STQMWFEESA-N 1 0 264.417 2.426 10 0 CEAERO [NH3+]C1(C(=O)Nc2ccc(O)c(F)c2)CCCCC1 ZINC000085201147 178969371 /nfs/dbraw/zinc/96/93/71/178969371.db2.gz LKVCPTKJRMTTPM-UHFFFAOYSA-N 1 0 252.289 2.131 10 0 CEAERO CCN(CC[C@H](CO)[NH2+]C1CC1)c1cccc(F)c1 ZINC000085242021 178984155 /nfs/dbraw/zinc/98/41/55/178984155.db2.gz YLOCQOABCGFNJA-CQSZACIVSA-N 1 0 266.360 2.155 10 0 CEAERO C[C@@H](c1ccc(Br)cc1)N(C)C1C[NH2+]C1 ZINC000085257228 178990181 /nfs/dbraw/zinc/99/01/81/178990181.db2.gz BEPIPVFOONCIFJ-VIFPVBQESA-N 1 0 269.186 2.414 10 0 CEAERO Cc1csc(C[C@H](NN)C2([NH+]3CCCC3)CCCC2)n1 ZINC000097588357 185633782 /nfs/dbraw/zinc/63/37/82/185633782.db2.gz CDYRVRSGFBTUMR-ZDUSSCGKSA-N 1 0 294.468 2.235 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)COc1ccc2c(c1)CCC2 ZINC000085282533 179000103 /nfs/dbraw/zinc/00/01/03/179000103.db2.gz DCRSIKMEJNDOQD-MRXNPFEDSA-N 1 0 263.381 2.303 10 0 CEAERO CCCCOCCO[C@@H](C)C[C@@](C)(CO)[NH2+]CCC ZINC000085267945 178997523 /nfs/dbraw/zinc/99/75/23/178997523.db2.gz NNNUHRBTOWGNHN-GJZGRUSLSA-N 1 0 275.433 2.349 10 0 CEAERO CC[NH2+][C@@](CO)(CO[C@@H]1CCCC[C@@H]1C)C1CC1 ZINC000085269223 178997781 /nfs/dbraw/zinc/99/77/81/178997781.db2.gz VFOPHQLVQXQFJR-CFVMTHIKSA-N 1 0 255.402 2.332 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCCOc1ccc(OC)cc1 ZINC000085285671 179003672 /nfs/dbraw/zinc/00/36/72/179003672.db2.gz UIGVLEIATXLIPU-OAHLLOKOSA-N 1 0 267.369 2.215 10 0 CEAERO CCCCOC[C@](CO)([NH2+]CC)c1ccccc1 ZINC000085286615 179003800 /nfs/dbraw/zinc/00/38/00/179003800.db2.gz OPRYQBIOVXZUAO-HNNXBMFYSA-N 1 0 251.370 2.300 10 0 CEAERO CCCCOC[C@@](CO)([NH2+]CC)c1ccccc1 ZINC000085286619 179004205 /nfs/dbraw/zinc/00/42/05/179004205.db2.gz OPRYQBIOVXZUAO-OAHLLOKOSA-N 1 0 251.370 2.300 10 0 CEAERO CC[NH2+][C@](C)(CO)C[C@H](C)Oc1ccc(F)c(F)c1 ZINC000085286763 179004566 /nfs/dbraw/zinc/00/45/66/179004566.db2.gz WWNPRTKPXXZLTJ-HZMBPMFUSA-N 1 0 273.323 2.483 10 0 CEAERO Cc1cccc(CSC[C@@H](CO)[NH2+]C2CC2)c1 ZINC000085289172 179005563 /nfs/dbraw/zinc/00/55/63/179005563.db2.gz NYVDFKRZXKMCTE-CQSZACIVSA-N 1 0 251.395 2.341 10 0 CEAERO CCC[NH2+][C@](C)(CO)C[C@@H](C)Sc1cnccn1 ZINC000085289702 179006233 /nfs/dbraw/zinc/00/62/33/179006233.db2.gz IRLFLMMLFAJRBU-YPMHNXCESA-N 1 0 269.414 2.098 10 0 CEAERO Cc1nnc(S[C@H](C)C[C@](C)(CO)[NH2+]C(C)C)s1 ZINC000085297104 179008566 /nfs/dbraw/zinc/00/85/66/179008566.db2.gz YTHWSWCGUZPHAU-BXKDBHETSA-N 1 0 289.470 2.466 10 0 CEAERO C[C@@H](C[C@@](C)([NH3+])CO)Sc1ncnc2ccccc21 ZINC000085297228 179008686 /nfs/dbraw/zinc/00/86/86/179008686.db2.gz JJMXHMJRXQMNHV-IINYFYTJSA-N 1 0 277.393 2.210 10 0 CEAERO CCC[NH2+][C@H](CO)CSc1ncnc2ccccc21 ZINC000085297254 179008702 /nfs/dbraw/zinc/00/87/02/179008702.db2.gz DBLLCOLMYWTMJQ-LLVKDONJSA-N 1 0 277.393 2.082 10 0 CEAERO CCC[NH2+][C@@](CO)(CSCCOC)c1ccccc1 ZINC000085298005 179009003 /nfs/dbraw/zinc/00/90/03/179009003.db2.gz KSDYZZOJYYETRT-HNNXBMFYSA-N 1 0 283.437 2.253 10 0 CEAERO CC[NH2+][C@](C)(CO)CSc1ccc(F)cc1F ZINC000085298378 179009222 /nfs/dbraw/zinc/00/92/22/179009222.db2.gz AMKJLMKSBSSBGA-GFCCVEGCSA-N 1 0 261.337 2.417 10 0 CEAERO CC(C)[NH2+][C@@H](CO)CSc1ccc(F)cc1F ZINC000085298288 179009255 /nfs/dbraw/zinc/00/92/55/179009255.db2.gz XQTDUSOGYHIPRY-JTQLQIEISA-N 1 0 261.337 2.416 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)CCCSc1cnn(C)c1 ZINC000085297611 179009453 /nfs/dbraw/zinc/00/94/53/179009453.db2.gz DNDUSKNGTHUDCA-ZDUSSCGKSA-N 1 0 271.430 2.041 10 0 CEAERO C[NH2+][C@](C)(CO)CSc1nc2ccccc2s1 ZINC000085298787 179009499 /nfs/dbraw/zinc/00/94/99/179009499.db2.gz GMPOZTJGFFNRGU-GFCCVEGCSA-N 1 0 268.407 2.359 10 0 CEAERO C[N@H+](C[C@](O)(CN)c1ccccc1)C1CCCCC1 ZINC000085304236 179010973 /nfs/dbraw/zinc/01/09/73/179010973.db2.gz KMSPZZAXSLTTDM-MRXNPFEDSA-N 1 0 262.397 2.097 10 0 CEAERO C[C@H]1CCCC[C@@H]1OC[C@@](O)(C[NH3+])c1ccccc1 ZINC000085305983 179011801 /nfs/dbraw/zinc/01/18/01/179011801.db2.gz HVWWHIDRGQCUOR-BPUTZDHNSA-N 1 0 263.381 2.428 10 0 CEAERO Cc1ccc(C)c(OCCC[C@@](C)(O)C[NH3+])c1C ZINC000085307432 179012603 /nfs/dbraw/zinc/01/26/03/179012603.db2.gz ZDKPFNVRTWJJQY-OAHLLOKOSA-N 1 0 251.370 2.481 10 0 CEAERO C[C@](O)(C[NH3+])CCCCOc1ccc2c(c1)CCC2 ZINC000085306243 179012820 /nfs/dbraw/zinc/01/28/20/179012820.db2.gz YNCQDZHQTGYGDG-MRXNPFEDSA-N 1 0 263.381 2.434 10 0 CEAERO C[C@H](C[C@@](C)(O)C[NH3+])Oc1cccc2cccnc21 ZINC000085306287 179012843 /nfs/dbraw/zinc/01/28/43/179012843.db2.gz WDJSFHUYMOCYSF-IAQYHMDHSA-N 1 0 260.337 2.102 10 0 CEAERO Cc1ccc2[nH]c(SC[C@@](O)(C[NH3+])C3CC3)nc2c1 ZINC000085307940 179013060 /nfs/dbraw/zinc/01/30/60/179013060.db2.gz CEKMWEBKPUFYRC-AWEZNQCLSA-N 1 0 277.393 2.063 10 0 CEAERO [NH3+]C[C@@](O)(CSc1ccc(C(F)(F)F)cn1)C1CC1 ZINC000085308507 179013105 /nfs/dbraw/zinc/01/31/05/179013105.db2.gz POPDSAOZEXUGSG-LLVKDONJSA-N 1 0 292.326 2.292 10 0 CEAERO Cc1ccc(SC[C@@](O)(C[NH3+])C2CC2)c(C)c1 ZINC000085308422 179013154 /nfs/dbraw/zinc/01/31/54/179013154.db2.gz GWEKVNVPGPBCPW-AWEZNQCLSA-N 1 0 251.395 2.495 10 0 CEAERO COc1cc(-c2noc([C@@H]3CCC[C@@H]3[NH3+])n2)ccc1O ZINC000085325237 179017940 /nfs/dbraw/zinc/01/79/40/179017940.db2.gz ALRXCXQNXCYMKF-ZJUUUORDSA-N 1 0 275.308 2.046 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)Nc1cccc2ncccc21 ZINC000085355862 179030223 /nfs/dbraw/zinc/03/02/23/179030223.db2.gz TVGDJYGVMCUGOI-CMPLNLGQSA-N 1 0 255.321 2.301 10 0 CEAERO COc1cc(OC)c(NC(=O)[C@H]2CCC[C@H]2[NH3+])cc1Cl ZINC000085356108 179030314 /nfs/dbraw/zinc/03/03/14/179030314.db2.gz BCFMUXUTARZPJL-WCBMZHEXSA-N 1 0 298.770 2.423 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000085355494 179030336 /nfs/dbraw/zinc/03/03/36/179030336.db2.gz NIKDSZAYGLSTBM-ZIAGYGMSSA-N 1 0 264.344 2.002 10 0 CEAERO COc1cc(C)c(NC(=O)[C@H]2CCCC[C@H]2[NH3+])cc1OC ZINC000085362601 179033948 /nfs/dbraw/zinc/03/39/48/179033948.db2.gz HMHLEIROVUGFLB-NWDGAFQWSA-N 1 0 292.379 2.468 10 0 CEAERO CCC(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000085362933 179034485 /nfs/dbraw/zinc/03/44/85/179034485.db2.gz JWWJAQBTXSCFRP-ZIAGYGMSSA-N 1 0 289.379 2.491 10 0 CEAERO CCC(=O)Nc1cccc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])c1C ZINC000085364570 179035348 /nfs/dbraw/zinc/03/53/48/179035348.db2.gz VGYMAEOZBWAXPM-VXGBXAGGSA-N 1 0 289.379 2.409 10 0 CEAERO CCOc1cc(F)ccc1NC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085364410 179035420 /nfs/dbraw/zinc/03/54/20/179035420.db2.gz QUDAPJKZYDZYDT-QWRGUYRKSA-N 1 0 266.316 2.290 10 0 CEAERO CC[C@@H]([NH3+])Cc1ncc(I)s1 ZINC000085352078 179029445 /nfs/dbraw/zinc/02/94/45/179029445.db2.gz YCTNDFJVOUQORI-RXMQYKEDSA-N 1 0 282.150 2.028 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)N1CCc2sccc2C1 ZINC000085355147 179029754 /nfs/dbraw/zinc/02/97/54/179029754.db2.gz INUMDWVNRKRQQZ-VXGBXAGGSA-N 1 0 264.394 2.150 10 0 CEAERO COc1ccc(CN(C)C(=O)[C@@H]2CCCC[C@@H]2[NH3+])cc1F ZINC000085365371 179036749 /nfs/dbraw/zinc/03/67/49/179036749.db2.gz DRJRZLBKQSGEOP-OCCSQVGLSA-N 1 0 294.370 2.310 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)N(Cc1ccco1)CC(F)(F)F ZINC000085366995 179036964 /nfs/dbraw/zinc/03/69/64/179036964.db2.gz CGYOJYKRADJMHH-GHMZBOCLSA-N 1 0 290.285 2.298 10 0 CEAERO CCN(Cc1cccs1)C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085367960 179037539 /nfs/dbraw/zinc/03/75/39/179037539.db2.gz OFNXKVJSYQMQDA-VXGBXAGGSA-N 1 0 252.383 2.224 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000085367255 179037667 /nfs/dbraw/zinc/03/76/67/179037667.db2.gz UTSDSVGDOOEGBL-CABCVRRESA-N 1 0 276.355 2.444 10 0 CEAERO C[C@@H](c1ccc(F)cc1)N(C)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085367524 179037703 /nfs/dbraw/zinc/03/77/03/179037703.db2.gz CPTVYVBEOPVDOX-BPNCWPANSA-N 1 0 264.344 2.473 10 0 CEAERO Cc1ccc(CN(C)C(=O)[C@H]2CCC[C@@H]2[NH3+])c(C)c1 ZINC000085367967 179037802 /nfs/dbraw/zinc/03/78/02/179037802.db2.gz RMKHBGLYXKGSAF-GJZGRUSLSA-N 1 0 260.381 2.389 10 0 CEAERO CC(C)CN(CC(F)(F)F)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085368515 179037965 /nfs/dbraw/zinc/03/79/65/179037965.db2.gz XRLGDXJNDRRKAV-UWVGGRQHSA-N 1 0 266.307 2.161 10 0 CEAERO COc1ccccc1CN(C(=O)[C@H]1CCC[C@@H]1[NH3+])C1CC1 ZINC000085368815 179038440 /nfs/dbraw/zinc/03/84/40/179038440.db2.gz PPHHDHOWZDHKES-GJZGRUSLSA-N 1 0 288.391 2.314 10 0 CEAERO CN(CCOc1cccc(F)c1)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085368772 179038654 /nfs/dbraw/zinc/03/86/54/179038654.db2.gz WBFAZESVZVYYKD-HUUCEWRRSA-N 1 0 294.370 2.180 10 0 CEAERO CCN(C(=O)[C@H]1CCC[C@@H]1[NH3+])[C@@H](C)c1cccc(O)c1 ZINC000085369522 179039160 /nfs/dbraw/zinc/03/91/60/179039160.db2.gz UOMWDWPMKNCYBZ-CQDKDKBSSA-N 1 0 276.380 2.429 10 0 CEAERO CCC(=O)Nc1cccc(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000085370838 179040800 /nfs/dbraw/zinc/04/08/00/179040800.db2.gz MVKBKISEBDZZHQ-ZIAGYGMSSA-N 1 0 289.379 2.491 10 0 CEAERO COc1cc(F)ccc1NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085372747 179042237 /nfs/dbraw/zinc/04/22/37/179042237.db2.gz NMOWIJCVXMOFGL-MNOVXSKESA-N 1 0 266.316 2.290 10 0 CEAERO CC(C)c1csc(NC(=O)[C@H]2CCC[C@H]2[NH3+])n1 ZINC000085372597 179042269 /nfs/dbraw/zinc/04/22/69/179042269.db2.gz ZDXYIRPLNFUDHE-DTWKUNHWSA-N 1 0 253.371 2.332 10 0 CEAERO [NH3+]CCCc1nc(-c2cccc(C(F)(F)F)c2)n[nH]1 ZINC000061844157 362692986 /nfs/dbraw/zinc/69/29/86/362692986.db2.gz SOKUITKKDSZNFN-UHFFFAOYSA-N 1 0 270.258 2.382 10 0 CEAERO COc1cccc(N(C)C(=O)[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000085373430 179042818 /nfs/dbraw/zinc/04/28/18/179042818.db2.gz ZCCDGBVVPKGVQZ-KGLIPLIRSA-N 1 0 262.353 2.176 10 0 CEAERO COc1ccc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])c(C)c1 ZINC000085374489 179043559 /nfs/dbraw/zinc/04/35/59/179043559.db2.gz RDWXAPXVHQJSME-STQMWFEESA-N 1 0 262.353 2.460 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000085374336 179043569 /nfs/dbraw/zinc/04/35/69/179043569.db2.gz AAQGMPJVNZIGMC-XVKPBYJWSA-N 1 0 258.243 2.170 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C(C)C)N(C)C)C1(C)C ZINC000085380397 179045519 /nfs/dbraw/zinc/04/55/19/179045519.db2.gz VCZOOTQPBAUGQQ-MELADBBJSA-N 1 0 256.434 2.366 10 0 CEAERO CCO[C@H]1C[C@H]([NH2+][C@@H](C)Cn2ccnc2)C1(C)C ZINC000085384909 179046713 /nfs/dbraw/zinc/04/67/13/179046713.db2.gz FRADEZBLFWEWKE-AVGNSLFASA-N 1 0 251.374 2.065 10 0 CEAERO COC(OC)[C@H](C)[NH2+][C@@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000085402130 179052184 /nfs/dbraw/zinc/05/21/84/179052184.db2.gz GMAVPZODYWMRAN-YNEHKIRRSA-N 1 0 273.417 2.423 10 0 CEAERO CC(C)OCCN(CC(F)(F)F)C1CC[NH2+]CC1 ZINC000085402957 179052295 /nfs/dbraw/zinc/05/22/95/179052295.db2.gz LCZZALICXGNMHZ-UHFFFAOYSA-N 1 0 268.323 2.028 10 0 CEAERO C[C@H]([NH2+]C(C)(C)C(N)=O)c1cnc2ccsc2c1 ZINC000085433707 179061177 /nfs/dbraw/zinc/06/11/77/179061177.db2.gz NCQSGKTUWFOBEE-QMMMGPOBSA-N 1 0 263.366 2.211 10 0 CEAERO Fc1ccc(F)c(CN2CC[NH2+][C@@H](C3CC3)C2)c1 ZINC000085434826 179061212 /nfs/dbraw/zinc/06/12/12/179061212.db2.gz XLPOYRHFPIDLPD-CQSZACIVSA-N 1 0 252.308 2.149 10 0 CEAERO C([C@H]1CCCCO1)N1CC[NH2+]C2(CCCCC2)C1 ZINC000085435378 179062302 /nfs/dbraw/zinc/06/23/02/179062302.db2.gz MYYZVFJSBHGIKS-CQSZACIVSA-N 1 0 252.402 2.164 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@H]2CCC[NH2+]C[C@H]2C1 ZINC000098090095 185686948 /nfs/dbraw/zinc/68/69/48/185686948.db2.gz XTHNUAFJOORFFY-NEPJUHHUSA-N 1 0 254.374 2.243 10 0 CEAERO CC[C@H](C)[C@@H]1CN[C@H](C(C)C)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085466802 179071835 /nfs/dbraw/zinc/07/18/35/179071835.db2.gz UFGKWJKMHXCJCE-VGWMRTNUSA-N 1 0 268.445 2.367 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@H]1Nc1ncncc1Br ZINC000085466683 179072061 /nfs/dbraw/zinc/07/20/61/179072061.db2.gz ZOXJFFHKWZESTM-NXEZZACHSA-N 1 0 285.189 2.311 10 0 CEAERO CC(C)n1ccc(CN2CC[NH2+]C[C@@H]2C(C)(C)C)n1 ZINC000085451689 179066207 /nfs/dbraw/zinc/06/62/07/179066207.db2.gz STMRTPKLGBCLSA-CQSZACIVSA-N 1 0 264.417 2.284 10 0 CEAERO CC(C)C[C@@H]1CN[C@H](C)C[N@@H+]1C[C@@H]1CCCCO1 ZINC000085454848 179068140 /nfs/dbraw/zinc/06/81/40/179068140.db2.gz CGKUOIFJSVMVAG-KFWWJZLASA-N 1 0 254.418 2.264 10 0 CEAERO CCC[C@@H]1C[NH2+][C@H](CC)CN1CCOCC(F)(F)F ZINC000085472587 179077338 /nfs/dbraw/zinc/07/73/38/179077338.db2.gz SBRGGWRZYTTXEY-VXGBXAGGSA-N 1 0 282.350 2.418 10 0 CEAERO CC[C@H]1C[N@H+]([C@@H]2CCC[C@H](OC)C2)[C@H](C2CC2)CN1 ZINC000085473447 179077760 /nfs/dbraw/zinc/07/77/60/179077760.db2.gz BLVWMCGBBQICPV-FZKCQIBNSA-N 1 0 266.429 2.406 10 0 CEAERO CC[C@@H](C)[C@@H]1CN[C@H](C(C)(C)C)C[N@@H+]1CCOC ZINC000085476078 179079587 /nfs/dbraw/zinc/07/95/87/179079587.db2.gz WLXJFUQLRZSZAR-RDBSUJKOSA-N 1 0 256.434 2.367 10 0 CEAERO CCOCCN1C[C@@H](CC(C)C)[NH2+]C[C@@H]1C(C)C ZINC000085487714 179080939 /nfs/dbraw/zinc/08/09/39/179080939.db2.gz MYMJTECVCMLVTG-HUUCEWRRSA-N 1 0 256.434 2.367 10 0 CEAERO CC[C@@H](C)[C@H]1C[N@H+](CCCOC)[C@H](C(C)C)CN1 ZINC000085491324 179081124 /nfs/dbraw/zinc/08/11/24/179081124.db2.gz 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/nfs/dbraw/zinc/08/73/35/179087335.db2.gz GQVLHSZKBHAXLV-LRDDRELGSA-N 1 0 289.423 2.279 10 0 CEAERO CCC1(CC)CN(CCOCCOC)[C@@](C)(CC)C[NH2+]1 ZINC000085520263 179087447 /nfs/dbraw/zinc/08/74/47/179087447.db2.gz HZRDIAMIHRVOGI-HNNXBMFYSA-N 1 0 286.460 2.282 10 0 CEAERO CCC[C@@H]1C[NH2+][C@H](C2CC2)CN1Cc1cccnc1 ZINC000085523873 179088672 /nfs/dbraw/zinc/08/86/72/179088672.db2.gz DUUKBEQOJIVLCM-CVEARBPZSA-N 1 0 259.397 2.434 10 0 CEAERO C[C@]1(C2CC2)C[N@H+](C[C@@H]2CCCO2)[C@@](C)(C2CC2)CN1 ZINC000085516267 179087662 /nfs/dbraw/zinc/08/76/62/179087662.db2.gz WYFWGYVBTOUYAN-GVDBMIGSSA-N 1 0 278.440 2.408 10 0 CEAERO C[C@@]1(C2CC2)C[N@H+](C[C@@H]2CCOC2)C2(CCCC2)CN1 ZINC000085515889 179087840 /nfs/dbraw/zinc/08/78/40/179087840.db2.gz CPLCZXLMCHTDMQ-HOCLYGCPSA-N 1 0 278.440 2.410 10 0 CEAERO CC[C@H](C)n1ccc(CN2C[C@H](C3CC3)[NH2+]C[C@@H]2C)n1 ZINC000085521631 179087878 /nfs/dbraw/zinc/08/78/78/179087878.db2.gz DPXQCJZUAOTMBV-HEHGZKQESA-N 1 0 276.428 2.426 10 0 CEAERO CCC1(CC)C[N@H+](C[C@H]2CCOC2)C(C)(C)CN1 ZINC000085520010 179087895 /nfs/dbraw/zinc/08/78/95/179087895.db2.gz MLQMGFBEBZIOJB-CYBMUJFWSA-N 1 0 254.418 2.266 10 0 CEAERO CCC[C@H]1CN[C@@](C)(CC)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085495205 179082525 /nfs/dbraw/zinc/08/25/25/179082525.db2.gz ISGVXKSWAMNDFI-KKUMJFAQSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@@]1(C)C[NH2+]C2(CCCCC2)CN1CCOC ZINC000085503750 179084237 /nfs/dbraw/zinc/08/42/37/179084237.db2.gz GHVWCCGOEMLIQX-AWEZNQCLSA-N 1 0 254.418 2.410 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C2CC2)CN1CCOCC(F)(F)F ZINC000085522326 179088859 /nfs/dbraw/zinc/08/88/59/179088859.db2.gz YLACWNZCOFTMMT-NWDGAFQWSA-N 1 0 280.334 2.028 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C2CC2)CN1CCC(F)(F)F ZINC000085522494 179088886 /nfs/dbraw/zinc/08/88/86/179088886.db2.gz ZGHGIOMKJNVJON-GHMZBOCLSA-N 1 0 250.308 2.401 10 0 CEAERO CC[C@@H](C)[C@H]1CN[C@H](C2CC2)C[N@@H+]1CCCn1ccnc1 ZINC000085524864 179089287 /nfs/dbraw/zinc/08/92/87/179089287.db2.gz KPDWCPFXHHQXMW-HYVNUMGLSA-N 1 0 290.455 2.372 10 0 CEAERO C(C1CCOCC1)[N@@H+]1C[C@H](C2CC2)NCC12CCCC2 ZINC000085529176 179090498 /nfs/dbraw/zinc/09/04/98/179090498.db2.gz CRGSOAFEJYMCJA-MRXNPFEDSA-N 1 0 278.440 2.410 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@@H](C2CC2)CN1Cc1cccnc1 ZINC000085528700 179090908 /nfs/dbraw/zinc/09/09/08/179090908.db2.gz PPJWRTVCEGLJRO-CVEARBPZSA-N 1 0 259.397 2.434 10 0 CEAERO CCOCC[N@@H+]1C[C@H](C2CC2)NCC12CCCCC2 ZINC000085529221 179091125 /nfs/dbraw/zinc/09/11/25/179091125.db2.gz XGYLYTKINDQMLA-OAHLLOKOSA-N 1 0 266.429 2.410 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C2CCCCC2)CN1CCOC ZINC000085529978 179091460 /nfs/dbraw/zinc/09/14/60/179091460.db2.gz PHPLYQMGDCCCMR-LSDHHAIUSA-N 1 0 254.418 2.266 10 0 CEAERO C[C@H]1C[NH2+][C@H](C2CCCCC2)CN1CCn1cccn1 ZINC000085529733 179091788 /nfs/dbraw/zinc/09/17/88/179091788.db2.gz ZJMBNFDUYBNOPP-HOCLYGCPSA-N 1 0 276.428 2.126 10 0 CEAERO C[C@@H]1C[N@H+](C)[C@@H]2Cc3c[nH]c4cccc(c34)[C@H]2[C@H]1O ZINC000085564529 179094374 /nfs/dbraw/zinc/09/43/74/179094374.db2.gz JUXRVSRUBIFVKE-BBDZHYCFSA-N 1 0 256.349 2.119 10 0 endogenous,in-man CEAERO CCc1nc2c(n1-c1ccccc1OC)CC[NH2+]C2 ZINC000085569508 179095900 /nfs/dbraw/zinc/09/59/00/179095900.db2.gz LBOXSQARZJEPGB-UHFFFAOYSA-N 1 0 257.337 2.089 10 0 CEAERO Cc1nc2c(n1-c1cc(F)c(F)cc1F)CC[NH2+]C2 ZINC000085571101 179096450 /nfs/dbraw/zinc/09/64/50/179096450.db2.gz BUAXCHZOVJCOMR-UHFFFAOYSA-N 1 0 267.254 2.244 10 0 CEAERO CC(C)c1nc2c(n1[C@@H]1CCCC[C@@H]1O)CC[NH2+]C2 ZINC000085571296 179097165 /nfs/dbraw/zinc/09/71/65/179097165.db2.gz JHRZNOBDFNTYCP-KGLIPLIRSA-N 1 0 263.385 2.128 10 0 CEAERO CCCc1nc2c(n1[C@H](CCC)COC)CC[NH2+]C2 ZINC000085574729 179099766 /nfs/dbraw/zinc/09/97/66/179099766.db2.gz FFXSFQZBRBQPKL-GFCCVEGCSA-N 1 0 265.401 2.469 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(CCOCC(F)(F)F)CCC[NH2+]1 ZINC000085609100 179101341 /nfs/dbraw/zinc/10/13/41/179101341.db2.gz ARAHLUVEVXNLAT-NEPJUHHUSA-N 1 0 282.350 2.275 10 0 CEAERO CCOCCN1CCC[NH2+][C@H](C2CCCCC2)C1 ZINC000085614906 179104159 /nfs/dbraw/zinc/10/41/59/179104159.db2.gz QEFQHJAOPGNQAH-HNNXBMFYSA-N 1 0 254.418 2.267 10 0 CEAERO C[C@H]1CC[NH2+][C@](C)(C2CC2)CN1Cc1ccncc1 ZINC000085623934 179107458 /nfs/dbraw/zinc/10/74/58/179107458.db2.gz KMSHHMCYDVKXNY-BBRMVZONSA-N 1 0 259.397 2.434 10 0 CEAERO COc1cccc(CN2CC(C)(C)[NH2+]CC[C@H]2C)n1 ZINC000085622560 179105310 /nfs/dbraw/zinc/10/53/10/179105310.db2.gz RPXCSIWLFCNJKA-GFCCVEGCSA-N 1 0 263.385 2.053 10 0 CEAERO CC(C)C[C@H]1CN(Cc2cnn(C)c2)[C@@H](C)CC[NH2+]1 ZINC000085622211 179105934 /nfs/dbraw/zinc/10/59/34/179105934.db2.gz CXZBMQANCSKYSD-ZFWWWQNUSA-N 1 0 264.417 2.019 10 0 CEAERO CCCCOC[C@@H](O)C[NH2+][C@@H]1CC2CCC1CC2 ZINC000336796189 365819899 /nfs/dbraw/zinc/81/98/99/365819899.db2.gz QJAAOFMOYNICPI-PFSRBDOWSA-N 1 0 255.402 2.332 10 0 CEAERO COC(=O)C[C@H]([NH3+])c1ccc(Br)c(C)c1 ZINC000085707484 179122580 /nfs/dbraw/zinc/12/25/80/179122580.db2.gz NXMDZSYFCJWGLB-JTQLQIEISA-N 1 0 272.142 2.320 10 0 CEAERO CCn1cnnc1C1CCN(c2cc[nH+]c(C)c2)CC1 ZINC000302229375 136542779 /nfs/dbraw/zinc/54/27/79/136542779.db2.gz WEUWTYSKSHQWSB-UHFFFAOYSA-N 1 0 271.368 2.385 10 0 CEAERO CCOCCCC[NH2+]CCN1CCN(C)c2ccccc21 ZINC000111463426 136562128 /nfs/dbraw/zinc/56/21/28/136562128.db2.gz VOHAQFBLIDRTQI-UHFFFAOYSA-N 1 0 291.439 2.349 10 0 CEAERO NC(=[NH2+])c1ccnc(N2CCCc3ccccc32)c1 ZINC000019507904 136577672 /nfs/dbraw/zinc/57/76/72/136577672.db2.gz KNYWQJCABZHJBQ-UHFFFAOYSA-N 1 0 252.321 2.450 10 0 CEAERO CC(C)C1CCC(C[NH2+]C[C@@H]2CN(C)CCO2)CC1 ZINC000336810453 365848719 /nfs/dbraw/zinc/84/87/19/365848719.db2.gz HVBGUOCWJBSLEQ-UYSNPLJNSA-N 1 0 268.445 2.369 10 0 CEAERO CCCn1cc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cn1 ZINC000129357326 365850916 /nfs/dbraw/zinc/85/09/16/365850916.db2.gz ZXWAHYKKLNFTMY-HZPDHXFCSA-N 1 0 277.412 2.420 10 0 CEAERO CC(C)n1c2cc(F)ccc2nc1[C@@]1([NH3+])CCOC1 ZINC000085849942 179187730 /nfs/dbraw/zinc/18/77/30/179187730.db2.gz PBKDDHWSRBDNKP-CQSZACIVSA-N 1 0 263.316 2.331 10 0 CEAERO [NH3+][C@]1(C(=O)Nc2ccc(Cl)cc2Cl)CCOC1 ZINC000085867400 179191952 /nfs/dbraw/zinc/19/19/52/179191952.db2.gz XMASOSHBJPTOLP-LLVKDONJSA-N 1 0 275.135 2.050 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1CNC(=O)c1ccc2ccccc2n1 ZINC000085963741 179205192 /nfs/dbraw/zinc/20/51/92/179205192.db2.gz QTBVHOSHKNSZBB-KBPBESRZSA-N 1 0 283.375 2.482 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1CNC(=O)c1cc(F)ccc1F ZINC000085964659 179205601 /nfs/dbraw/zinc/20/56/01/179205601.db2.gz JJASQQXLBWEUMB-TVQRCGJNSA-N 1 0 268.307 2.212 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1CNC(=O)c1cc(F)cc(F)c1 ZINC000085966646 179205982 /nfs/dbraw/zinc/20/59/82/179205982.db2.gz UZOWDTCTFZWPAH-NOZJJQNGSA-N 1 0 268.307 2.212 10 0 CEAERO CCOc1ccc(C(=O)NC[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000085967305 179206176 /nfs/dbraw/zinc/20/61/76/179206176.db2.gz AOHNDWIBMMEDSI-HIFRSBDPSA-N 1 0 276.380 2.333 10 0 CEAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1[nH]nnc1-c1ccccc1 ZINC000085973573 179207233 /nfs/dbraw/zinc/20/72/33/179207233.db2.gz WSALWYFJFWAKQI-ZFWWWQNUSA-N 1 0 286.379 2.112 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1CNS(=O)(=O)CC1CCCCC1 ZINC000085971817 179207470 /nfs/dbraw/zinc/20/74/70/179207470.db2.gz QEMWELVWDCDMCT-KGLIPLIRSA-N 1 0 288.457 2.004 10 0 CEAERO CS(=O)(=O)c1ccccc1NC[C@H]1CCCC[C@H]1[NH3+] ZINC000085973999 179207932 /nfs/dbraw/zinc/20/79/32/179207932.db2.gz SFHMXAGOLOSYER-VXGBXAGGSA-N 1 0 282.409 2.020 10 0 CEAERO CCC[NH2+][C@H](CCO)CN(CC(C)C)CC(C)C ZINC000085921898 179200657 /nfs/dbraw/zinc/20/06/57/179200657.db2.gz DYGOSDXJRXCPKM-OAHLLOKOSA-N 1 0 258.450 2.351 10 0 CEAERO C[NH2+][C@H](CCO)CN1CCC[C@@H](C(C)(C)C)CC1 ZINC000085923213 179201010 /nfs/dbraw/zinc/20/10/10/179201010.db2.gz YMEPONSGNZQLCY-ZIAGYGMSSA-N 1 0 256.434 2.105 10 0 CEAERO CCC[NH2+][C@H](CCO)CN1CCC(CCC)CC1 ZINC000085922635 179201043 /nfs/dbraw/zinc/20/10/43/179201043.db2.gz WMUOPYQKMJJEKA-OAHLLOKOSA-N 1 0 256.434 2.249 10 0 CEAERO CCC[NH2+][C@H](CCO)CN1CCC2(CCCC2)CC1 ZINC000085922947 179201707 /nfs/dbraw/zinc/20/17/07/179201707.db2.gz NLZIMLQZCPPCRE-OAHLLOKOSA-N 1 0 268.445 2.393 10 0 CEAERO CC[NH2+][C@@H](CCO)CSc1ncnc2ccccc21 ZINC000085929147 179202853 /nfs/dbraw/zinc/20/28/53/179202853.db2.gz YJHVWJHMFMVJCP-NSHDSACASA-N 1 0 277.393 2.082 10 0 CEAERO O=C(C[NH2+]C[C@H]1CCCC[C@H]1O)Nc1cccc(Cl)c1 ZINC000085985787 179211278 /nfs/dbraw/zinc/21/12/78/179211278.db2.gz HVMICDOZFNZCSY-BXUZGUMPSA-N 1 0 296.798 2.419 10 0 CEAERO O=C(C[NH2+]C[C@@H]1CCCC[C@@H]1O)Nc1cccc(Cl)c1 ZINC000085985784 179211358 /nfs/dbraw/zinc/21/13/58/179211358.db2.gz HVMICDOZFNZCSY-FZMZJTMJSA-N 1 0 296.798 2.419 10 0 CEAERO C[C@@](O)(C[NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccccc1 ZINC000085985143 179211501 /nfs/dbraw/zinc/21/15/01/179211501.db2.gz HQGXOQOTEWELMP-CWRNSKLLSA-N 1 0 263.381 2.035 10 0 CEAERO Cc1ccccc1NC(=O)C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000085985807 179211550 /nfs/dbraw/zinc/21/15/50/179211550.db2.gz OGLNYZGOYOEVNT-UKRRQHHQSA-N 1 0 276.380 2.074 10 0 CEAERO CCCCCCOC[C@@H](O)C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000085985415 179211730 /nfs/dbraw/zinc/21/17/30/179211730.db2.gz MPDKOWHXBWOAHS-JYJNAYRXSA-N 1 0 287.444 2.085 10 0 CEAERO C[C@@H](O)CC[NH2+]C[C@@H](O)c1cc(Cl)ccc1Cl ZINC000085989698 179213631 /nfs/dbraw/zinc/21/36/31/179213631.db2.gz WSATYDGFHQSQDL-PRHODGIISA-N 1 0 278.179 2.387 10 0 CEAERO CCC[NH2+][C@H]1CC[C@@H](Sc2nccc(=O)[nH]2)[C@@H]1C ZINC000086043777 179222845 /nfs/dbraw/zinc/22/28/45/179222845.db2.gz HGIBAEZVEIMJAI-OUAUKWLOSA-N 1 0 267.398 2.441 10 0 CEAERO C[C@H]1[C@H]([NH3+])CC[C@@H]1Sc1nnc2n1CCCCC2 ZINC000086044585 179222968 /nfs/dbraw/zinc/22/29/68/179222968.db2.gz ZMLQRGSVPUKLMJ-AXFHLTTASA-N 1 0 266.414 2.222 10 0 CEAERO C[NH2+][C@@H]1CC[C@H](Sc2nnnn2C2CCCC2)[C@@H]1C ZINC000086044700 179222973 /nfs/dbraw/zinc/22/29/73/179222973.db2.gz MNMFNOZXHYEWAK-JLLWLGSASA-N 1 0 281.429 2.267 10 0 CEAERO C[C@@H]1CC[C@@H](NC(=O)[C@@H](C[NH3+])c2ccccc2)[C@@H]1C ZINC000086073942 179224905 /nfs/dbraw/zinc/22/49/05/179224905.db2.gz VHEUFQAMLORGDK-RJZRQDKASA-N 1 0 260.381 2.280 10 0 CEAERO C[C@@H]1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH2+]C2)[C@@H]1C ZINC000086075435 179225287 /nfs/dbraw/zinc/22/52/87/179225287.db2.gz PVPWYCZNQWJNGJ-YIYPIFLZSA-N 1 0 252.402 2.317 10 0 CEAERO CC[NH2+][C@H](c1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 ZINC000086021237 179218413 /nfs/dbraw/zinc/21/84/13/179218413.db2.gz FNTQKKQOKGQCGX-KWQFWETISA-N 1 0 293.841 2.487 10 0 CEAERO CCc1ccc(CC)c([C@@H]([NH3+])[C@H]2CCS(=O)(=O)C2)c1 ZINC000086022901 179218603 /nfs/dbraw/zinc/21/86/03/179218603.db2.gz AKHPKCVPLBNPMQ-ZFWWWQNUSA-N 1 0 281.421 2.246 10 0 CEAERO CCC[NH2+][C@@H](C1=CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000086022419 179218620 /nfs/dbraw/zinc/21/86/20/179218620.db2.gz LTJCDWXZJZLRQH-KGLIPLIRSA-N 1 0 271.426 2.290 10 0 CEAERO CCC[NH2+][C@@H](c1ccc(CC)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000086022613 179219063 /nfs/dbraw/zinc/21/90/63/179219063.db2.gz AFJGMWOCXATFKL-BXUZGUMPSA-N 1 0 285.409 2.317 10 0 CEAERO Cc1ccc(C)c(S(=O)(=O)[C@@H]2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000086040569 179221971 /nfs/dbraw/zinc/22/19/71/179221971.db2.gz ZTRCVEDXOCGZCB-RWMBFGLXSA-N 1 0 267.394 2.203 10 0 CEAERO CC[C@H]1CC[C@@H](n2nnnc2C[NH2+]C(C)C)[C@@H]1C ZINC000086107333 179230892 /nfs/dbraw/zinc/23/08/92/179230892.db2.gz IGBKZRBPJPXATM-GRYCIOLGSA-N 1 0 251.378 2.168 10 0 CEAERO CC[C@H]1CC[C@H](n2nnnc2C[NH2+]C(C)C)[C@@H]1C ZINC000086107328 179230935 /nfs/dbraw/zinc/23/09/35/179230935.db2.gz IGBKZRBPJPXATM-WOPDTQHZSA-N 1 0 251.378 2.168 10 0 CEAERO C[C@@]1(C2CC2)CN(CCc2cccc(F)c2)CC[NH2+]1 ZINC000086128063 179235538 /nfs/dbraw/zinc/23/55/38/179235538.db2.gz JYQHSXGYHWGFNN-INIZCTEOSA-N 1 0 262.372 2.442 10 0 CEAERO C(C[N@@H+]1CCNC2(CCCCC2)C1)[C@@H]1CCCO1 ZINC000086145597 179237830 /nfs/dbraw/zinc/23/78/30/179237830.db2.gz AVHFQPMOSCTDAH-AWEZNQCLSA-N 1 0 252.402 2.164 10 0 CEAERO CC[C@H](C)[C@@H]1CN(Cc2nc(C)cs2)CC[NH2+]1 ZINC000086144294 179237849 /nfs/dbraw/zinc/23/78/49/179237849.db2.gz BSSMUWQJXFDVMK-JQWIXIFHSA-N 1 0 253.415 2.271 10 0 CEAERO C([C@@H]1CCCOC1)[N@@H+]1CCNC2(CCCCC2)C1 ZINC000086146238 179238282 /nfs/dbraw/zinc/23/82/82/179238282.db2.gz LELUEBBWCDNNEF-AWEZNQCLSA-N 1 0 252.402 2.021 10 0 CEAERO CC[C@H]1CC[C@H](NC(=O)C2(C[NH3+])CCCC2)[C@@H]1C ZINC000086084123 179228925 /nfs/dbraw/zinc/22/89/25/179228925.db2.gz WASHOYRVJUOGFO-AGIUHOORSA-N 1 0 252.402 2.446 10 0 CEAERO CC[C@H]1CC[C@@H](NC(=O)[C@@H]([NH3+])CCSC)[C@@H]1C ZINC000086093984 179228998 /nfs/dbraw/zinc/22/89/98/179228998.db2.gz HGZGCNLDWDFNNR-NOOOWODRSA-N 1 0 258.431 2.008 10 0 CEAERO CC[C@H](C)[C@H]1CN(C[C@@H]2Cc3ccccc3O2)CC[NH2+]1 ZINC000086146966 179239926 /nfs/dbraw/zinc/23/99/26/179239926.db2.gz PIRBNHAKBOKMAU-CWRNSKLLSA-N 1 0 274.408 2.310 10 0 CEAERO CC[C@]1(C)CN(Cc2ccc(OC)cc2OC)CC[NH2+]1 ZINC000086149330 179240249 /nfs/dbraw/zinc/24/02/49/179240249.db2.gz MVWDQRHCSNAQPK-MRXNPFEDSA-N 1 0 278.396 2.278 10 0 CEAERO CCC[C@@H]1CN(Cc2ccc(OC)cc2OC)CC[NH2+]1 ZINC000086149341 179240660 /nfs/dbraw/zinc/24/06/60/179240660.db2.gz BVHLTLCOZQBBPY-CQSZACIVSA-N 1 0 278.396 2.278 10 0 CEAERO C1CCC([C@@H]2CN([C@@H]3CCCOC3)CC[NH2+]2)CC1 ZINC000086149307 179240688 /nfs/dbraw/zinc/24/06/88/179240688.db2.gz OQGRMBHYYILUDN-CABCVRRESA-N 1 0 252.402 2.020 10 0 CEAERO CC[C@H](C)[C@H]1CN(c2cnn(C)c2)[C@@H](CC)C[NH2+]1 ZINC000086154182 179241121 /nfs/dbraw/zinc/24/11/21/179241121.db2.gz UPUSISNVFJLDJO-SGMGOOAPSA-N 1 0 250.390 2.023 10 0 CEAERO CC[C@H]1CN[C@@H](C(C)C)C[N@@H+]1CC[C@@H]1CCCO1 ZINC000086173616 179244408 /nfs/dbraw/zinc/24/44/08/179244408.db2.gz HRNRTXPUVALYBD-SOUVJXGZSA-N 1 0 254.418 2.264 10 0 CEAERO C[C@@H]1C[N@H+](C[C@@H]2CCCOC2)[C@H](c2ccccc2)CN1 ZINC000086173981 179245081 /nfs/dbraw/zinc/24/50/81/179245081.db2.gz FTAWRJXHWGVRAA-VYDXJSESSA-N 1 0 274.408 2.448 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](Cc2ccccc2)CN1[C@@H]1CCCOC1 ZINC000086175684 179245385 /nfs/dbraw/zinc/24/53/85/179245385.db2.gz DNAVZVLHSQHVPU-RCCFBDPRSA-N 1 0 288.435 2.461 10 0 CEAERO CC(C)[C@@H]1CN[C@@H](C(C)C)C[N@@H+]1[C@@H]1CCCOC1 ZINC000086175692 179245665 /nfs/dbraw/zinc/24/56/65/179245665.db2.gz MRENFKSXFNAVLZ-KFWWJZLASA-N 1 0 254.418 2.120 10 0 CEAERO Cc1csc(CCN2C[C@H](C)[NH2+]C[C@@H]2C(C)C)n1 ZINC000086175402 179245735 /nfs/dbraw/zinc/24/57/35/179245735.db2.gz RBKBFRQELLEXPV-WCQYABFASA-N 1 0 267.442 2.312 10 0 CEAERO CC(C)[C@H]1CN(C[C@@H]2Cc3ccccc3O2)[C@@H](C)C[NH2+]1 ZINC000086174470 179245841 /nfs/dbraw/zinc/24/58/41/179245841.db2.gz KOKFSEYCLUWSCG-CWRNSKLLSA-N 1 0 274.408 2.308 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](C(C)C)CN1CCc1cscn1 ZINC000086175781 179245878 /nfs/dbraw/zinc/24/58/78/179245878.db2.gz IYJGJAIZBCGYQA-UONOGXRCSA-N 1 0 267.442 2.394 10 0 CEAERO C1=C[C@H]([N@@H+]2CC[C@@H](N3CCOCC3)C2)CCCCC1 ZINC000606432038 347471642 /nfs/dbraw/zinc/47/16/42/347471642.db2.gz PGDCOUZNZRTYST-JKSUJKDBSA-N 1 0 264.413 2.282 10 0 CEAERO CC[C@@H]1CNC2(CCCCC2)C[N@@H+]1[C@@H](C)COC ZINC000086179958 179246522 /nfs/dbraw/zinc/24/65/22/179246522.db2.gz KIQXXLWJRUAZIA-UONOGXRCSA-N 1 0 254.418 2.408 10 0 CEAERO C[C@@H]1C[NH2+][C@H](C2CC2)CN1CCc1ccccc1F ZINC000086181367 179248102 /nfs/dbraw/zinc/24/81/02/179248102.db2.gz ODQYEFZMYSDXRL-WBMJQRKESA-N 1 0 262.372 2.441 10 0 CEAERO C[C@H]1C[NH2+][C@@H](C2CCCCC2)CN1c1cnn(C)c1 ZINC000086218315 179249761 /nfs/dbraw/zinc/24/97/61/179249761.db2.gz XPTKQUCYUOMDPN-SWLSCSKDSA-N 1 0 262.401 2.167 10 0 CEAERO CC[C@H]1C[NH2+]C(C)(C)CN1Cc1csc(C)n1 ZINC000086226999 179252824 /nfs/dbraw/zinc/25/28/24/179252824.db2.gz MRSSDRLTHSTZDD-LBPRGKRZSA-N 1 0 253.415 2.414 10 0 CEAERO CC[C@@H]1CN[C@](C)(C2CC2)C[N@@H+]1CCCCOC ZINC000086259403 179258438 /nfs/dbraw/zinc/25/84/38/179258438.db2.gz ZMYRMBGIMPUZMM-CABCVRRESA-N 1 0 254.418 2.266 10 0 CEAERO C[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1C[C@@H]1Cc2ccccc2O1 ZINC000086261669 179259809 /nfs/dbraw/zinc/25/98/09/179259809.db2.gz ZMFVYWTZGFDKNV-RPVQJOFSSA-N 1 0 286.419 2.453 10 0 CEAERO Cc1cccnc1CN1CC2(CCCC2)[NH2+]C[C@@H]1C ZINC000086264947 179261168 /nfs/dbraw/zinc/26/11/68/179261168.db2.gz DPMCNGBKNBGMII-AWEZNQCLSA-N 1 0 259.397 2.497 10 0 CEAERO COc1cc(CN2CC3(CCCC3)[NH2+]C[C@@H]2C)ccn1 ZINC000086263860 179261323 /nfs/dbraw/zinc/26/13/23/179261323.db2.gz GOSRYKOWSJHZIG-ZDUSSCGKSA-N 1 0 275.396 2.197 10 0 CEAERO CC[C@@H]1C[NH2+]C2(CCCCC2)CN1Cc1nccn1C ZINC000086264839 179261382 /nfs/dbraw/zinc/26/13/82/179261382.db2.gz FPUSCVNCJHZNQV-CQSZACIVSA-N 1 0 276.428 2.307 10 0 CEAERO CC[C@@H]1CN(c2cc(OC)ccc2OC)CCC[NH2+]1 ZINC000086269546 179261789 /nfs/dbraw/zinc/26/17/89/179261789.db2.gz JLJHVOSBNHPCNM-GFCCVEGCSA-N 1 0 264.369 2.282 10 0 CEAERO C[C@H]1C[NH2+]C2(CCCC2)CN1CCc1cscn1 ZINC000086265598 179262197 /nfs/dbraw/zinc/26/21/97/179262197.db2.gz BWSSUCYIHYNGKU-LBPRGKRZSA-N 1 0 265.426 2.292 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2c1nc(Br)cs1 ZINC000086290622 179265150 /nfs/dbraw/zinc/26/51/50/179265150.db2.gz XLKXTSPHDJQAMI-IEESLHIDSA-N 1 0 288.214 2.364 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(Cc2nccs2)CCC[NH2+]1 ZINC000086289972 179264356 /nfs/dbraw/zinc/26/43/56/179264356.db2.gz WSOPRYRBGFVZOT-NEPJUHHUSA-N 1 0 253.415 2.353 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1c1nc(Br)cs1 ZINC000086290653 179265293 /nfs/dbraw/zinc/26/52/93/179265293.db2.gz UHIXAJGWKKQFIV-ZETCQYMHSA-N 1 0 276.203 2.223 10 0 CEAERO Cc1cccc(OCCN2CC(C)(C)[NH2+]C[C@H]2C)c1 ZINC000086257980 179256829 /nfs/dbraw/zinc/25/68/29/179256829.db2.gz WPOCEMUHWZINEV-CQSZACIVSA-N 1 0 262.397 2.446 10 0 CEAERO CC(C)C[C@H]1CN(CC[C@@H]2CCCO2)[C@@H](C)C[NH2+]1 ZINC000086258870 179256961 /nfs/dbraw/zinc/25/69/61/179256961.db2.gz KSNFOESPNLSWJC-KKUMJFAQSA-N 1 0 254.418 2.264 10 0 CEAERO C[C@H]1CN[C@](C)(C2CC2)C[N@@H+]1CC[C@@H]1CCCO1 ZINC000086258795 179257139 /nfs/dbraw/zinc/25/71/39/179257139.db2.gz XUZDKINOIFZROK-QEJZJMRPSA-N 1 0 252.402 2.018 10 0 CEAERO Cc1cc(CN2CCC[NH2+][C@@H](C(C)(C)C)C2)no1 ZINC000086292126 179266159 /nfs/dbraw/zinc/26/61/59/179266159.db2.gz AVKJGLNAJCMBHE-CYBMUJFWSA-N 1 0 251.374 2.193 10 0 CEAERO CCC1(CC)CN(Cc2ccnc(C)n2)CCC[NH2+]1 ZINC000086292614 179266503 /nfs/dbraw/zinc/26/65/03/179266503.db2.gz NVIVLMIKVOAJGV-UHFFFAOYSA-N 1 0 262.401 2.139 10 0 CEAERO CC(C)C[C@@H]1CN(Cc2cscn2)CCC[NH2+]1 ZINC000086297838 179267585 /nfs/dbraw/zinc/26/75/85/179267585.db2.gz UEQCGYPAICPUDY-GFCCVEGCSA-N 1 0 253.415 2.353 10 0 CEAERO CC[C@@H]1CN(CCc2nc(C)cs2)CCC[NH2+]1 ZINC000086296770 179267741 /nfs/dbraw/zinc/26/77/41/179267741.db2.gz KIFFVUHQLOLZTK-GFCCVEGCSA-N 1 0 253.415 2.068 10 0 CEAERO C(CN1CCC[NH2+][C@@H](C2CC2)C1)OC1CCCCC1 ZINC000086298114 179269196 /nfs/dbraw/zinc/26/91/96/179269196.db2.gz QAJZAYJPYYVMBU-MRXNPFEDSA-N 1 0 266.429 2.410 10 0 CEAERO [NH3+]C[C@H](NC[C@H]1CCCO1)c1cc(Cl)cs1 ZINC000086333406 179273151 /nfs/dbraw/zinc/27/31/51/179273151.db2.gz UZFXKVKLAPBXAK-ZJUUUORDSA-N 1 0 260.790 2.170 10 0 CEAERO [NH3+][C@H]1CC[C@@H](Oc2ncccc2Br)C1 ZINC000086408327 179285959 /nfs/dbraw/zinc/28/59/59/179285959.db2.gz LZUZEUMJRNEAPI-JGVFFNPUSA-N 1 0 257.131 2.103 10 0 CEAERO CC[NH2+][C@H]1CCCc2sc(N3CCN(CC)CC3)nc21 ZINC000086442002 179293936 /nfs/dbraw/zinc/29/39/36/179293936.db2.gz CRPLFOVXTIUMBK-LBPRGKRZSA-N 1 0 294.468 2.272 10 0 CEAERO CC[C@@H]1CO[C@H](C)CN1c1nc2c(s1)CCC[C@@H]2[NH3+] ZINC000086443785 179294130 /nfs/dbraw/zinc/29/41/30/179294130.db2.gz ZTQCGRMIBXMIIA-MXWKQRLJSA-N 1 0 281.425 2.483 10 0 CEAERO CN(c1nc2c(s1)CCC[C@@H]2O)C1CC[NH+](C)CC1 ZINC000086444367 179294545 /nfs/dbraw/zinc/29/45/45/179294545.db2.gz SBTGBHXZAFKBID-NSHDSACASA-N 1 0 281.425 2.043 10 0 CEAERO CC[C@@H]1CN(C(=O)COc2ccccc2)[C@H](CC)C[NH2+]1 ZINC000086446560 179294996 /nfs/dbraw/zinc/29/49/96/179294996.db2.gz YEAMTKHWNIXAFL-ZIAGYGMSSA-N 1 0 276.380 2.054 10 0 CEAERO [NH3+][C@@H]1CCC(=O)N(C[C@@H]2CCCc3ccccc32)C1 ZINC000086444897 179295090 /nfs/dbraw/zinc/29/50/90/179295090.db2.gz OYTXQCRHLQPSKB-UONOGXRCSA-N 1 0 258.365 2.056 10 0 CEAERO CC[C@@H]1CN(C(=O)c2ccc(N(C)C)cc2)[C@@H](CC)C[NH2+]1 ZINC000086447891 179295891 /nfs/dbraw/zinc/29/58/91/179295891.db2.gz OFBXXLSWMAUKSU-CABCVRRESA-N 1 0 289.423 2.355 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)Cc1ccccc1F ZINC000086447317 179295949 /nfs/dbraw/zinc/29/59/49/179295949.db2.gz ZZASFTGTWDLAEK-UONOGXRCSA-N 1 0 278.371 2.357 10 0 CEAERO CC[C@@H]1CN(C(=O)c2cc(Cl)c[nH]2)[C@H](CC)C[NH2+]1 ZINC000086447168 179295975 /nfs/dbraw/zinc/29/59/75/179295975.db2.gz FDHLFTSWXMNNKQ-GHMZBOCLSA-N 1 0 269.776 2.271 10 0 CEAERO CC[NH2+]C[C@@H](C)c1nc([C@H]2Cc3ccccc32)no1 ZINC000086486290 179302004 /nfs/dbraw/zinc/30/20/04/179302004.db2.gz IQHYSANZFFFGHH-MFKMUULPSA-N 1 0 257.337 2.471 10 0 CEAERO CCCc1cc(NN)[nH+]c([C@H]2Cc3ccccc32)n1 ZINC000086490639 179302374 /nfs/dbraw/zinc/30/23/74/179302374.db2.gz LNYNSGUUZULZSJ-ZDUSSCGKSA-N 1 0 254.337 2.403 10 0 CEAERO FC(F)Oc1ccc(C[NH2+]CCc2c[nH]cn2)cc1 ZINC000086507111 179303092 /nfs/dbraw/zinc/30/30/92/179303092.db2.gz FOVUQSMBJBNQHQ-UHFFFAOYSA-N 1 0 267.279 2.343 10 0 CEAERO CC[C@H]1CN(CC(=O)NC2CCC(C)CC2)[C@@H](CC)C[NH2+]1 ZINC000086464060 179296658 /nfs/dbraw/zinc/29/66/58/179296658.db2.gz LAMHXNODMTTZSZ-GRAKBVBRSA-N 1 0 295.471 2.144 10 0 CEAERO CCCn1cc(Cl)cc1C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000086467724 179298229 /nfs/dbraw/zinc/29/82/29/179298229.db2.gz VWSKIZRLTYMNTR-WDEREUQCSA-N 1 0 283.803 2.374 10 0 CEAERO COc1cc(Cl)ccc1C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000086467837 179298306 /nfs/dbraw/zinc/29/83/06/179298306.db2.gz CUNOGNKCFYXCQY-UWVGGRQHSA-N 1 0 282.771 2.171 10 0 CEAERO C[C@H]1CN(C(=O)NC23CC4CC(CC(C4)C2)C3)[C@@H](C)C[NH2+]1 ZINC000086468372 179300010 /nfs/dbraw/zinc/30/00/10/179300010.db2.gz MYMQQYLAMOWXRI-HOGDBLQHSA-N 1 0 291.439 2.347 10 0 CEAERO C[C@@](O)(C[NH2+]C1CC1)c1cscc1Br ZINC000086558456 179308074 /nfs/dbraw/zinc/30/80/74/179308074.db2.gz FPMDTIRGWAAZDQ-SNVBAGLBSA-N 1 0 276.199 2.470 10 0 CEAERO Cc1cnc([C@@H](C)NC(=O)C[C@H]([NH3+])c2ccccc2)o1 ZINC000231743556 539580842 /nfs/dbraw/zinc/58/08/42/539580842.db2.gz XZTAXDAJGYMSGB-YPMHNXCESA-N 1 0 273.336 2.250 10 0 CEAERO Cc1cnc([C@H](C)NC(=O)C[C@@H](C[NH3+])CC(C)C)o1 ZINC000231743303 539581191 /nfs/dbraw/zinc/58/11/91/539581191.db2.gz QXLSJJSJCCCRTA-RYUDHWBXSA-N 1 0 267.373 2.171 10 0 CEAERO CC[C@@H]1CN([C@@H](C[NH3+])c2ccc(OC)c(Cl)c2)CCO1 ZINC000086586492 179310118 /nfs/dbraw/zinc/31/01/18/179310118.db2.gz HJTSRRSTMZOWHI-OCCSQVGLSA-N 1 0 298.814 2.459 10 0 CEAERO CCN(CC(C)(C)C[NH3+])c1ncc(Br)cn1 ZINC000086640504 179314854 /nfs/dbraw/zinc/31/48/54/179314854.db2.gz LCXKSTJGEWKFKJ-UHFFFAOYSA-N 1 0 287.205 2.050 10 0 CEAERO Cc1cccc(-c2nc3cc(C[NH3+])ccc3n2C)n1 ZINC000086637564 179315161 /nfs/dbraw/zinc/31/51/61/179315161.db2.gz MTUAYNLECSSACW-UHFFFAOYSA-N 1 0 252.321 2.402 10 0 CEAERO CC(C)n1c2ccc(C[NH3+])cc2nc1-c1cn[nH]c1 ZINC000086641436 179315302 /nfs/dbraw/zinc/31/53/02/179315302.db2.gz HHIFDJLCXVUQLX-UHFFFAOYSA-N 1 0 255.325 2.466 10 0 CEAERO CS(=O)(=O)[C@@H]1CCC[C@@H]1[NH2+]CCCc1ccccc1 ZINC000086671053 179317770 /nfs/dbraw/zinc/31/77/70/179317770.db2.gz ZHHZOEDFBNLKQG-LSDHHAIUSA-N 1 0 281.421 2.175 10 0 CEAERO CS(=O)(=O)[C@H]1CCC[C@H]1[NH2+]CCC1CCCC1 ZINC000086674786 179318450 /nfs/dbraw/zinc/31/84/50/179318450.db2.gz WCNLGHVGYYRSMP-OLZOCXBDSA-N 1 0 259.415 2.122 10 0 CEAERO Cc1ccccc1C[NH2+][C@H]1CCC[C@@H]1S(C)(=O)=O ZINC000086674776 179318822 /nfs/dbraw/zinc/31/88/22/179318822.db2.gz RSESOHLLAIQQFG-KBPBESRZSA-N 1 0 267.394 2.050 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1S(C)(=O)=O)C1CCCC1 ZINC000086676141 179319150 /nfs/dbraw/zinc/31/91/50/179319150.db2.gz GWJSRPIHBDPGIU-UHTWSYAYSA-N 1 0 259.415 2.120 10 0 CEAERO CCOC(=O)[C@@]1(NCC[NH+](CC)CC)CCC[C@H]1C ZINC000086678043 179319493 /nfs/dbraw/zinc/31/94/93/179319493.db2.gz DGJQSCGMKCCJCR-UKRRQHHQSA-N 1 0 270.417 2.040 10 0 CEAERO CC[C@@H]1CN(Cc2cnc(Cl)s2)CC[N@@H+]1C ZINC000086776887 179329272 /nfs/dbraw/zinc/32/92/72/179329272.db2.gz GODNYRYLYPNWDA-SECBINFHSA-N 1 0 259.806 2.323 10 0 CEAERO CCC[NH+]1CCC([N@@H+]2CC[C@](CC)(C(=O)[O-])C2)CC1 ZINC000086780671 179329657 /nfs/dbraw/zinc/32/96/57/179329657.db2.gz IYWRFNXWRAFPPC-HNNXBMFYSA-N 1 0 268.401 2.048 10 0 CEAERO CC(C)C1CCC(C[NH3+])(OCC(=O)NCC2CC2)CC1 ZINC000086713508 179322696 /nfs/dbraw/zinc/32/26/96/179322696.db2.gz IURLKMIVEPPNPF-UHFFFAOYSA-N 1 0 282.428 2.073 10 0 CEAERO CCC(C)(C)NC(=O)CO[C@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000086712484 179322816 /nfs/dbraw/zinc/32/28/16/179322816.db2.gz JNIZZQYEVKIMEY-IUODEOHRSA-N 1 0 270.417 2.215 10 0 CEAERO CC[C@H](OC1(C[NH3+])CCC(C(C)(C)C)CC1)C(N)=O ZINC000086713636 179322941 /nfs/dbraw/zinc/32/29/41/179322941.db2.gz UNEWJPALTQXQRV-AVERBVTBSA-N 1 0 270.417 2.201 10 0 CEAERO C[NH2+][C@H](C)C(=O)Nc1cccc(Br)c1C ZINC000232211103 539596282 /nfs/dbraw/zinc/59/62/82/539596282.db2.gz RDQNOLIQNLMUCV-MRVPVSSYSA-N 1 0 271.158 2.304 10 0 CEAERO CCC[C@]1(C(=O)[O-])CC[N@@H+](C2CC[NH+](C(C)C)CC2)C1 ZINC000086782364 179331344 /nfs/dbraw/zinc/33/13/44/179331344.db2.gz ZKDDRUBZBVZKGC-INIZCTEOSA-N 1 0 282.428 2.436 10 0 CEAERO CNC(=O)c1ccc(N[C@@H]2CCC[N@H+](C)CC2)c(C)c1 ZINC000086818417 179347270 /nfs/dbraw/zinc/34/72/70/179347270.db2.gz HAJYIQPXZRQCTE-CQSZACIVSA-N 1 0 275.396 2.251 10 0 CEAERO C[N@@H+]1CCC[C@@](Nc2cccc(Cl)c2)(C(N)=O)CC1 ZINC000086819738 179348028 /nfs/dbraw/zinc/34/80/28/179348028.db2.gz XVZFZECCHBCFNI-AWEZNQCLSA-N 1 0 281.787 2.092 10 0 CEAERO CCC([NH3+])(CC)C(=O)Nc1ncccc1Br ZINC000086814126 179342576 /nfs/dbraw/zinc/34/25/76/179342576.db2.gz IGAJAPZPMGUKSP-UHFFFAOYSA-N 1 0 286.173 2.300 10 0 CEAERO C[N@@H+]1CCC[C@@H](Nc2ccc(NC(N)=O)cc2)CC1 ZINC000086818476 179346639 /nfs/dbraw/zinc/34/66/39/179346639.db2.gz PSIPXPYLOYNFAG-LLVKDONJSA-N 1 0 262.357 2.073 10 0 CEAERO CC[C@@H](C)n1ccc(C[C@@]2(O)CCC[N@H+](C)CC2)n1 ZINC000086834221 179350005 /nfs/dbraw/zinc/35/00/05/179350005.db2.gz XXIKZOJQYUGJBC-UKRRQHHQSA-N 1 0 265.401 2.243 10 0 CEAERO COC(=O)[C@@H](CC(C)C)N[C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086838327 179351312 /nfs/dbraw/zinc/35/13/12/179351312.db2.gz RBINWAIGCDNPEH-HUUCEWRRSA-N 1 0 284.444 2.427 10 0 CEAERO CC[N@@H+]1CCC[C@H](Nc2ccc(CC(N)=O)cc2)CC1 ZINC000086839192 179351452 /nfs/dbraw/zinc/35/14/52/179351452.db2.gz SIIKCTFVEAHWPA-AWEZNQCLSA-N 1 0 275.396 2.001 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2c(C)nn(C)c2C)CC1 ZINC000086836490 179351718 /nfs/dbraw/zinc/35/17/18/179351718.db2.gz NFWTWBIYCHLOOY-CYBMUJFWSA-N 1 0 250.390 2.323 10 0 CEAERO COc1ncccc1CN[C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086840786 179352565 /nfs/dbraw/zinc/35/25/65/179352565.db2.gz JOYPJZYFZIXMAV-OAHLLOKOSA-N 1 0 277.412 2.443 10 0 CEAERO CN(C(=O)Oc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000103988752 185876344 /nfs/dbraw/zinc/87/63/44/185876344.db2.gz WSNMPMJKYRDESQ-FUNVUKJBSA-N 1 0 260.337 2.400 10 0 CEAERO CCC[N@@H+]1CCC[C@@](O)(C(C)(C)C(=O)OCC)CC1 ZINC000086868372 179360135 /nfs/dbraw/zinc/36/01/35/179360135.db2.gz WWKAPGJJPKBBHY-HNNXBMFYSA-N 1 0 271.401 2.203 10 0 CEAERO CCC[N@@H+]1CCC[C@H]([NH+]2CCC(C(=O)[O-])CC2)CC1 ZINC000086868578 179360198 /nfs/dbraw/zinc/36/01/98/179360198.db2.gz YQMAZLFDLGSGKX-AWEZNQCLSA-N 1 0 268.401 2.048 10 0 CEAERO CC[N@@H+]1CCC[C@](CO)(Nc2ccc(OC)cc2)CC1 ZINC000086867950 179360251 /nfs/dbraw/zinc/36/02/51/179360251.db2.gz GMRMZPRWCIRKQD-INIZCTEOSA-N 1 0 278.396 2.344 10 0 CEAERO Cc1ccnc(N)c1[C@]1(O)CCC[N@@H+](C(C)C)CC1 ZINC000086867651 179360789 /nfs/dbraw/zinc/36/07/89/179360789.db2.gz AJGZDTMTEIVIJO-HNNXBMFYSA-N 1 0 263.385 2.054 10 0 CEAERO CC[N@@H+]1CCC[C@@H]([NH2+]C2CCC(C(=O)[O-])CC2)CC1 ZINC000086868701 179361689 /nfs/dbraw/zinc/36/16/89/179361689.db2.gz LSNMBZULYDDLLA-ROKHWSDSSA-N 1 0 268.401 2.094 10 0 CEAERO CC(C)[N@@H+]1CCC[C@@](Nc2cccc(F)c2)(C(N)=O)CC1 ZINC000086849476 179358003 /nfs/dbraw/zinc/35/80/03/179358003.db2.gz SHWJALFQOQIIFE-INIZCTEOSA-N 1 0 293.386 2.356 10 0 CEAERO CCC[N@@H+]1CCC[C@@](NC(C)C)(C(=O)OCC)CC1 ZINC000086849783 179358248 /nfs/dbraw/zinc/35/82/48/179358248.db2.gz INNNYIIHFGEHFN-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CC[N@@H+]1CCC[C@](N)(c2nc3c(s2)CCC3)CC1 ZINC000086851342 179359212 /nfs/dbraw/zinc/35/92/12/179359212.db2.gz SXTRCNNLKAZABK-CQSZACIVSA-N 1 0 265.426 2.292 10 0 CEAERO CCS(=O)(=O)CCC[C@]1([NH3+])CC[C@H](C)C[C@@H]1C ZINC000086977516 179372519 /nfs/dbraw/zinc/37/25/19/179372519.db2.gz GKSKFHPJZWWAFU-AVGNSLFASA-N 1 0 261.431 2.355 10 0 CEAERO CCS(=O)(=O)CCC[C@H](C[NH2+]CCOC)CC(C)C ZINC000086981161 179373352 /nfs/dbraw/zinc/37/33/52/179373352.db2.gz RSKGJXUJFNZYNE-AWEZNQCLSA-N 1 0 293.473 2.100 10 0 CEAERO COc1cccc(N(C)[C@]2(C[NH3+])CCCOCC2)c1 ZINC000086875532 179365222 /nfs/dbraw/zinc/36/52/22/179365222.db2.gz OTEAEVMGSOGOSL-OAHLLOKOSA-N 1 0 264.369 2.029 10 0 CEAERO C1C[NH2+][C@H]([C@@H]2CCCCN2[C@@H]2CCCOCC2)C1 ZINC000086876861 179365413 /nfs/dbraw/zinc/36/54/13/179365413.db2.gz JYRLRXACHFVPTQ-ILXRZTDVSA-N 1 0 252.402 2.162 10 0 CEAERO C[NH2+]Cc1cc(C)nc([C@@H]2CSCCS2)n1 ZINC000086985373 179373627 /nfs/dbraw/zinc/37/36/27/179373627.db2.gz FUJJCGLENSNVHS-JTQLQIEISA-N 1 0 255.412 2.026 10 0 CEAERO CC[C@H]1CCC[C@@](C[NH3+])(N(CCOC)CCOC)CC1 ZINC000086911318 179367161 /nfs/dbraw/zinc/36/71/61/179367161.db2.gz MXELHALOAFGZNC-JKSUJKDBSA-N 1 0 286.460 2.269 10 0 CEAERO CC(C)[C@H]1CCC[C@H]([NH2+]CC(=O)NC2CC2)CC1 ZINC000086939630 179367767 /nfs/dbraw/zinc/36/77/67/179367767.db2.gz UPGICGCZCHSFPR-STQMWFEESA-N 1 0 252.402 2.460 10 0 CEAERO C[C@H]1SCCC[C@H]1[NH2+]CCOCC(F)(F)F ZINC000086945013 179367884 /nfs/dbraw/zinc/36/78/84/179367884.db2.gz JVJWMCHDNCPYPN-RKDXNWHRSA-N 1 0 257.321 2.439 10 0 CEAERO C[C@@H]1C[C@](C[NH3+])(N(C)Cc2cccs2)CS1 ZINC000086936654 179367930 /nfs/dbraw/zinc/36/79/30/179367930.db2.gz VULDOCJGQNWHPW-ZYHUDNBSSA-N 1 0 256.440 2.403 10 0 CEAERO CC1(C)CCC[C@@](CO)([NH2+]C[C@@H]2CCCO2)CC1 ZINC000086920867 179367955 /nfs/dbraw/zinc/36/79/55/179367955.db2.gz AZSMQTYFUKLGHP-DZGCQCFKSA-N 1 0 255.402 2.476 10 0 CEAERO CCC[C@@H]1CCC[C@@H]([NH2+]CCS(C)(=O)=O)CC1 ZINC000086943847 179367956 /nfs/dbraw/zinc/36/79/56/179367956.db2.gz KABBLCSQHPYDLR-CHWSQXEVSA-N 1 0 261.431 2.370 10 0 CEAERO C[C@H]1C[C@](C[NH3+])(N(C)Cc2ccsc2)CS1 ZINC000086936659 179367978 /nfs/dbraw/zinc/36/79/78/179367978.db2.gz NVRGDRPJZJRFPN-CMPLNLGQSA-N 1 0 256.440 2.403 10 0 CEAERO CCC[C@@H]1CCC[C@H]([NH2+]CCS(C)(=O)=O)CC1 ZINC000086943843 179367993 /nfs/dbraw/zinc/36/79/93/179367993.db2.gz KABBLCSQHPYDLR-OLZOCXBDSA-N 1 0 261.431 2.370 10 0 CEAERO C[C@@H]1C[C@](C[NH3+])(N2C[C@@H](C)S[C@@H](C)C2)CS1 ZINC000086936868 179368021 /nfs/dbraw/zinc/36/80/21/179368021.db2.gz XPYOXRVHFQXAOI-WISYIIOYSA-N 1 0 260.472 2.035 10 0 CEAERO COCCCc1noc([C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)n1 ZINC000086962958 179369537 /nfs/dbraw/zinc/36/95/37/179369537.db2.gz WYPAOXKEEGZCBY-SRVKXCTJSA-N 1 0 265.357 2.242 10 0 CEAERO CCC1CCC([NH3+])(c2nc(CCCOC)no2)CC1 ZINC000086962988 179369629 /nfs/dbraw/zinc/36/96/29/179369629.db2.gz LTYHZGKUKVTBEQ-UHFFFAOYSA-N 1 0 267.373 2.403 10 0 CEAERO CN(C)CC[NH2+][C@]1(CO)CCC[C@@H](C(C)(C)C)CC1 ZINC000086962043 179369698 /nfs/dbraw/zinc/36/96/98/179369698.db2.gz GBZOEPQYLRRFHE-GDBMZVCRSA-N 1 0 270.461 2.495 10 0 CEAERO CC[NH2+][C@H](Cc1nc(CCCOC)no1)C(C)(C)C ZINC000086971818 179370800 /nfs/dbraw/zinc/37/08/00/179370800.db2.gz CXYFDXCXEYFKFU-LLVKDONJSA-N 1 0 269.389 2.215 10 0 CEAERO CCS(=O)(=O)CCCOc1cc(C)ccc1[C@@H](C)[NH2+]C ZINC000086973109 179371351 /nfs/dbraw/zinc/37/13/51/179371351.db2.gz XJIOGVLNYIIRRZ-CYBMUJFWSA-N 1 0 299.436 2.479 10 0 CEAERO CC[NH2+][C@H](C)[C@H](CCCS(=O)(=O)CC)C(C)C ZINC000086976627 179372181 /nfs/dbraw/zinc/37/21/81/179372181.db2.gz PWDZBMLFAQTVQD-CHWSQXEVSA-N 1 0 263.447 2.472 10 0 CEAERO CC(C)(O)C[NH2+]CC(=O)Nc1c(Cl)cccc1Cl ZINC000087018194 179380524 /nfs/dbraw/zinc/38/05/24/179380524.db2.gz GAENKICJOBXKKM-UHFFFAOYSA-N 1 0 291.178 2.292 10 0 CEAERO CC(C)c1ccc([C@H](O)C[NH2+]CC(C)(C)O)cc1 ZINC000087027662 179381629 /nfs/dbraw/zinc/38/16/29/179381629.db2.gz LXLHEYMMFGHXJB-CQSZACIVSA-N 1 0 251.370 2.204 10 0 CEAERO CCC(O)(CC)C[NH2+][C@H](C)C(=O)Nc1ccc(C)cc1 ZINC000087028317 179381895 /nfs/dbraw/zinc/38/18/95/179381895.db2.gz FNHODEGHBWOJPC-CYBMUJFWSA-N 1 0 278.396 2.463 10 0 CEAERO CC[NH2+][C@H](Cc1ccccc1)[C@H]1CSCCO1 ZINC000086989037 179374436 /nfs/dbraw/zinc/37/44/36/179374436.db2.gz BVSJZGILFBDVQL-ZIAGYGMSSA-N 1 0 251.395 2.339 10 0 CEAERO [NH3+][C@H]1CCCc2sc([C@@H]3CSCCO3)nc21 ZINC000086989894 179374866 /nfs/dbraw/zinc/37/48/66/179374866.db2.gz OAJPVJVZNQXKER-YUMQZZPRSA-N 1 0 256.396 2.284 10 0 CEAERO c1nc([C@@H]2CSCCS2)[nH]c1C[NH2+]C1CC1 ZINC000086985459 179374880 /nfs/dbraw/zinc/37/48/80/179374880.db2.gz CDHMVHAFTUKESF-JTQLQIEISA-N 1 0 255.412 2.183 10 0 CEAERO COc1ccc([C@@H]2[C@@H]([NH3+])CCC(=O)N2C(C)C)cc1F ZINC000086995177 179375973 /nfs/dbraw/zinc/37/59/73/179375973.db2.gz MKJPMHPZEUPUMN-SWLSCSKDSA-N 1 0 280.343 2.234 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1CNC(=O)c1c(F)cc(F)cc1F ZINC000086998963 179377869 /nfs/dbraw/zinc/37/78/69/179377869.db2.gz VWZKVBJPFCDZIN-PELKAZGASA-N 1 0 286.297 2.351 10 0 CEAERO CCC1CCC(O)(C[NH2+]Cc2ccc(CO)o2)CC1 ZINC000087053247 179388828 /nfs/dbraw/zinc/38/88/28/179388828.db2.gz LURMTCTTXTUROD-UHFFFAOYSA-N 1 0 267.369 2.193 10 0 CEAERO CCC1CCC(O)(C[NH2+][C@H](C)c2cnccn2)CC1 ZINC000087053500 179389443 /nfs/dbraw/zinc/38/94/43/179389443.db2.gz JNGRSBSDYPYOTI-DNOWBOINSA-N 1 0 263.385 2.459 10 0 CEAERO Cn1cc([C@@H](C[NH3+])OCc2ccc(Cl)cc2)cn1 ZINC000087092859 179394318 /nfs/dbraw/zinc/39/43/18/179394318.db2.gz JWEUKTLCLNAXGP-CYBMUJFWSA-N 1 0 265.744 2.290 10 0 CEAERO CCSC[C@H](O)Cc1[nH+]cc(C)c(OC)c1C ZINC000087105539 179394586 /nfs/dbraw/zinc/39/45/86/179394586.db2.gz LQTFMGJKEOSYOY-LLVKDONJSA-N 1 0 255.383 2.364 10 0 CEAERO CCSCc1nc(C)c(C[NH2+]CCOC)c(C)n1 ZINC000087106540 179394721 /nfs/dbraw/zinc/39/47/21/179394721.db2.gz MMEYRWBRXBBYSB-UHFFFAOYSA-N 1 0 269.414 2.083 10 0 CEAERO CCC1CCC(O)(C[NH2+]C[C@@H]2CCCCN2C)CC1 ZINC000087061244 179389590 /nfs/dbraw/zinc/38/95/90/179389590.db2.gz XIUZYBZLUVOGCT-PCKAHOCUSA-N 1 0 268.445 2.392 10 0 CEAERO Cc1cccc(NC(=O)C[NH2+]C[C@@]2(O)CCC[C@H](C)C2)c1 ZINC000087065328 179389869 /nfs/dbraw/zinc/38/98/69/179389869.db2.gz UIWDMFCSQPULGZ-WMLDXEAASA-N 1 0 290.407 2.464 10 0 CEAERO CCOC(=O)C[C@@H](C)[NH2+]CC1(O)CCC(C)(C)CC1 ZINC000087064004 179389952 /nfs/dbraw/zinc/38/99/52/179389952.db2.gz JUTMEUISLYJDEK-GFCCVEGCSA-N 1 0 271.401 2.249 10 0 CEAERO CCC1CCC(O)(C[NH2+]C[C@H]2CCCCO2)CC1 ZINC000087066051 179390443 /nfs/dbraw/zinc/39/04/43/179390443.db2.gz NYKRSUGPYZQEIM-SHARSMKWSA-N 1 0 255.402 2.476 10 0 CEAERO CCC1CCC(O)(CNC(=O)[C@]2(CC)CCC[NH2+]C2)CC1 ZINC000087070218 179391577 /nfs/dbraw/zinc/39/15/77/179391577.db2.gz NFFVYWORNDKRRI-ARWYELJZSA-N 1 0 296.455 2.214 10 0 CEAERO Cc1nc(C)c(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)o1 ZINC000670991202 539614429 /nfs/dbraw/zinc/61/44/29/539614429.db2.gz GYHMLUBKOZYNIB-DZGCQCFKSA-N 1 0 264.369 2.418 10 0 CEAERO CC[C@H]1C[NH2+]C[C@@H](c2ccc(OC)cc2OC)O1 ZINC000087090343 179394138 /nfs/dbraw/zinc/39/41/38/179394138.db2.gz HPADKTXUECYTIM-HZMBPMFUSA-N 1 0 251.326 2.143 10 0 CEAERO Nc1ncccc1C[C@@H]([NH3+])CSC1CCCC1 ZINC000087143817 179397246 /nfs/dbraw/zinc/39/72/46/179397246.db2.gz IQHYUXKYAULVPP-LLVKDONJSA-N 1 0 251.399 2.209 10 0 CEAERO COC1(OC)CC(C[NH3+])(Sc2ccccc2)C1 ZINC000087161553 179397795 /nfs/dbraw/zinc/39/77/95/179397795.db2.gz SORWECJCZRANEK-UHFFFAOYSA-N 1 0 253.367 2.259 10 0 CEAERO NC1=[NH+]CCN1c1ccc(Cl)c(Br)c1 ZINC000087153605 179398287 /nfs/dbraw/zinc/39/82/87/179398287.db2.gz RBOZOEPTINRIAI-UHFFFAOYSA-N 1 0 274.549 2.237 10 0 CEAERO COc1ccc(Cl)cc1C[C@]1(O)CC[N@@H+](C2CC2)C1 ZINC000087166317 179398659 /nfs/dbraw/zinc/39/86/59/179398659.db2.gz YBNVGUFRDFMFPY-OAHLLOKOSA-N 1 0 281.783 2.490 10 0 CEAERO COc1c(C)c[nH+]c(C[C@@H](O)[C@H]2CCCOC2)c1C ZINC000087181054 179399414 /nfs/dbraw/zinc/39/94/14/179399414.db2.gz KDPMQIXHKXZISO-GXTWGEPZSA-N 1 0 265.353 2.037 10 0 CEAERO Cc1ccc(N(CCC[NH3+])C(=O)C[C@@H]2CCCO2)cc1 ZINC000087203704 179401092 /nfs/dbraw/zinc/40/10/92/179401092.db2.gz DOYOFDCTDCHYJQ-HNNXBMFYSA-N 1 0 276.380 2.246 10 0 CEAERO CC(C)C[N@@H+](CCC(N)=S)CC[C@H]1CCCO1 ZINC000087248437 179405246 /nfs/dbraw/zinc/40/52/46/179405246.db2.gz ZAHIRGPBXMDYAE-GFCCVEGCSA-N 1 0 258.431 2.190 10 0 CEAERO CC[C@@H]([NH3+])Cc1c(C)nn(CC[C@H]2CCCO2)c1C ZINC000087277358 179407148 /nfs/dbraw/zinc/40/71/48/179407148.db2.gz DVVIYRFAYHYCQD-ZIAGYGMSSA-N 1 0 265.401 2.349 10 0 CEAERO C[NH2+][C@H](CSCC(C)C)Cc1cnccc1N ZINC000087123183 179396066 /nfs/dbraw/zinc/39/60/66/179396066.db2.gz GBLASTYRYRUVBF-LBPRGKRZSA-N 1 0 253.415 2.184 10 0 CEAERO CCOCCCOc1ccc(CC[NH3+])cc1OCC ZINC000087326046 179412979 /nfs/dbraw/zinc/41/29/79/179412979.db2.gz MQPWXFWUOXVZPU-UHFFFAOYSA-N 1 0 267.369 2.392 10 0 CEAERO C[NH2+]CCc1ncc(-c2ccc(OC)c(F)c2)o1 ZINC000087345057 179414320 /nfs/dbraw/zinc/41/43/20/179414320.db2.gz PGUVMDVMSNPRLZ-UHFFFAOYSA-N 1 0 250.273 2.251 10 0 CEAERO CCOc1ccc([C@H](C[NH3+])[C@@H](O)c2ccncc2)cc1 ZINC000087378042 179416963 /nfs/dbraw/zinc/41/69/63/179416963.db2.gz GUIREGNKZKRGGK-HOTGVXAUSA-N 1 0 272.348 2.256 10 0 CEAERO Cc1ccoc1[C@H](O)[C@@H](C[NH3+])c1ccc2c(c1)OCCO2 ZINC000087382062 179417729 /nfs/dbraw/zinc/41/77/29/179417729.db2.gz HTPCUBYYDSITMF-SWLSCSKDSA-N 1 0 289.331 2.135 10 0 CEAERO CC(C)[C@@H](C[NH3+])NC(=O)Nc1cccc(Cl)c1 ZINC000087403805 179420048 /nfs/dbraw/zinc/42/00/48/179420048.db2.gz NARGRDFGMNTHTO-LLVKDONJSA-N 1 0 255.749 2.445 10 0 CEAERO CC(C)(C)C[N@@H+]1CCO[C@@H](CCNC(=O)C2CCC2)C1 ZINC000067649566 362914308 /nfs/dbraw/zinc/91/43/08/362914308.db2.gz NWESRCUTAVKKQF-AWEZNQCLSA-N 1 0 282.428 2.040 10 0 CEAERO C[C@H]1CCC[C@@H](CN)[N@@H+]1CCCOCC(F)(F)F ZINC000104159214 185913286 /nfs/dbraw/zinc/91/32/86/185913286.db2.gz YVXYLWVBKSYFGA-QWRGUYRKSA-N 1 0 268.323 2.157 10 0 CEAERO CCOc1ccc([C@H]([NH3+])c2ccn(C)n2)cc1OCC ZINC000087424026 179423608 /nfs/dbraw/zinc/42/36/08/179423608.db2.gz QEADGKFNCHMQJV-HNNXBMFYSA-N 1 0 275.352 2.266 10 0 CEAERO Cc1nc(C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cs1 ZINC000087428982 179425030 /nfs/dbraw/zinc/42/50/30/179425030.db2.gz SSBIVBPYCLGNEQ-AAEUAGOBSA-N 1 0 279.409 2.198 10 0 CEAERO COc1ccc(C[C@H]([NH3+])C2CCOCC2)cc1F ZINC000087810939 179489407 /nfs/dbraw/zinc/48/94/07/179489407.db2.gz XLPZTLRFKLWKPV-ZDUSSCGKSA-N 1 0 253.317 2.131 10 0 CEAERO [NH3+]CCCN(c1ncns1)c1ccc(F)cc1 ZINC000087639504 179460888 /nfs/dbraw/zinc/46/08/88/179460888.db2.gz CGBAFLUVBIWMAP-UHFFFAOYSA-N 1 0 252.318 2.164 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@@H]1Nc1nc(C2CC2)ns1 ZINC000087642647 179462431 /nfs/dbraw/zinc/46/24/31/179462431.db2.gz PPKFOOJJLPOPDV-ZJUUUORDSA-N 1 0 252.387 2.487 10 0 CEAERO CN(c1nc(C(C)(C)C)ns1)[C@H]1CCC[NH2+]C1 ZINC000087642693 179462587 /nfs/dbraw/zinc/46/25/87/179462587.db2.gz GWZVRRYODLPIAS-VIFPVBQESA-N 1 0 254.403 2.024 10 0 CEAERO CC(C)(C)c1nsc(NCC[C@H]2CC[NH2+]C2)n1 ZINC000087642691 179462654 /nfs/dbraw/zinc/46/26/54/179462654.db2.gz MQWYZJGHFABUMY-SECBINFHSA-N 1 0 254.403 2.247 10 0 CEAERO CCCc1nsc(NC[C@H]2CCCC[C@H]2[NH3+])n1 ZINC000087644510 179463435 /nfs/dbraw/zinc/46/34/35/179463435.db2.gz NVSNSBHNSKDPRL-NXEZZACHSA-N 1 0 254.403 2.420 10 0 CEAERO CC[C@@H](C)n1ccc(C[C@@H]([NH3+])C2CCOCC2)n1 ZINC000087810975 179489584 /nfs/dbraw/zinc/48/95/84/179489584.db2.gz TZFOEYQHNMTGAB-BXUZGUMPSA-N 1 0 251.374 2.151 10 0 CEAERO COc1ccc([C@H](C)[NH3+])cc1CN1C(=O)CC(C)(C)C1=O ZINC000087728523 179479245 /nfs/dbraw/zinc/47/92/45/179479245.db2.gz XSPYLGTYRHZSHJ-JTQLQIEISA-N 1 0 290.363 2.000 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)NCc1ccccc1Cl ZINC000087514891 179437889 /nfs/dbraw/zinc/43/78/89/179437889.db2.gz YENSTCXYNLGCDW-JTQLQIEISA-N 1 0 254.761 2.331 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)N(C)Cc1sccc1C ZINC000087525386 179440840 /nfs/dbraw/zinc/44/08/40/179440840.db2.gz SLXQRCSYDBBQGA-NSHDSACASA-N 1 0 254.399 2.390 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)N(Cc1cccs1)C(C)C ZINC000087533098 179442281 /nfs/dbraw/zinc/44/22/81/179442281.db2.gz HHBIMPVVBLOBKL-NSHDSACASA-N 1 0 254.399 2.470 10 0 CEAERO CC[NH2+][C@](C)(CCO)c1cccc(OC(F)F)c1 ZINC000087564318 179446787 /nfs/dbraw/zinc/44/67/87/179446787.db2.gz ZJQDKBOYXGXNPF-CYBMUJFWSA-N 1 0 259.296 2.495 10 0 CEAERO OCCc1ccc([C@H]2C[NH2+]CCN2Cc2ccccc2)cc1 ZINC000616635438 348541801 /nfs/dbraw/zinc/54/18/01/348541801.db2.gz CNOBROAHHXJIRN-LJQANCHMSA-N 1 0 296.414 2.368 10 0 CEAERO COc1cccc(N[C@]2(C[NH3+])CCOC(C)(C)C2)c1 ZINC000087916571 179522820 /nfs/dbraw/zinc/52/28/20/179522820.db2.gz AHGGMGGBYPKMQF-OAHLLOKOSA-N 1 0 264.369 2.394 10 0 CEAERO CCCCCN(C)c1nc(CC)[nH+]c(NN)c1C ZINC000087918447 179523206 /nfs/dbraw/zinc/52/32/06/179523206.db2.gz DMMWQKHTKVQTGD-UHFFFAOYSA-N 1 0 251.378 2.259 10 0 CEAERO C/C=C/COc1nc(C(C)(C)C)[nH+]c(NN)c1C ZINC000087919224 179523312 /nfs/dbraw/zinc/52/33/12/179523312.db2.gz FSTGEAKBNCKOER-VOTSOKGWSA-N 1 0 250.346 2.323 10 0 CEAERO C[NH2+][C@H](Cc1ccn(C(C)C)n1)[C@H]1CCCOC1 ZINC000087814414 179491256 /nfs/dbraw/zinc/49/12/56/179491256.db2.gz RXFKUGFFUVAAPM-GXTWGEPZSA-N 1 0 251.374 2.021 10 0 CEAERO CC[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(C)(C)c1ccccc1 ZINC000616569990 348523710 /nfs/dbraw/zinc/52/37/10/348523710.db2.gz LEGXXGCAANQNRA-UKRRQHHQSA-N 1 0 274.408 2.469 10 0 CEAERO CCC[NH2+][C@H](Cc1ccccc1OC)[C@H]1COCCO1 ZINC000087858589 179503222 /nfs/dbraw/zinc/50/32/22/179503222.db2.gz WSPVLFTUUIRWMI-GDBMZVCRSA-N 1 0 279.380 2.021 10 0 CEAERO CC(C)(C)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000616572071 348524380 /nfs/dbraw/zinc/52/43/80/348524380.db2.gz UDPVVVSJGCEGNO-KBPBESRZSA-N 1 0 278.371 2.434 10 0 CEAERO CC[C@@H](C)[C@H](C)Nc1cc(NN)[nH+]c(SC)n1 ZINC000087865008 179505176 /nfs/dbraw/zinc/50/51/76/179505176.db2.gz KMPDNRSDXHQGAO-SFYZADRCSA-N 1 0 255.391 2.331 10 0 CEAERO CC[N@@H+]1CCOCC[C@H]1c1cccc(NC(C)=O)c1 ZINC000616598237 348529262 /nfs/dbraw/zinc/52/92/62/348529262.db2.gz NPMDIWPUFRAQMN-HNNXBMFYSA-N 1 0 262.353 2.428 10 0 CEAERO CC[N@@H+]1CCCOC[C@@H]1c1ccc2ccnnc2c1 ZINC000616599987 348530392 /nfs/dbraw/zinc/53/03/92/348530392.db2.gz VHOBACPFXAKNIP-OAHLLOKOSA-N 1 0 257.337 2.413 10 0 CEAERO C[C@@H]1CC[C@@H](Nc2nc(NN)[nH+]cc2F)C[C@@H]1C ZINC000087882429 179510181 /nfs/dbraw/zinc/51/01/81/179510181.db2.gz DMBRTWMSGVSPQK-HRDYMLBCSA-N 1 0 253.325 2.138 10 0 CEAERO Cc1c[nH+]c(NN)nc1Nc1cc(F)ccc1F ZINC000087885156 179510642 /nfs/dbraw/zinc/51/06/42/179510642.db2.gz YTXVWFBZXCYJMI-UHFFFAOYSA-N 1 0 251.240 2.092 10 0 CEAERO CCOC(=O)c1ccc([C@@H]2CCCCN2CC[NH3+])cc1 ZINC000616616704 348535947 /nfs/dbraw/zinc/53/59/47/348535947.db2.gz USPSZSSCXLATAS-HNNXBMFYSA-N 1 0 276.380 2.349 10 0 CEAERO [NH3+]CCN1CCC[C@H](c2cccc3ncccc32)C1 ZINC000616620912 348537180 /nfs/dbraw/zinc/53/71/80/348537180.db2.gz OBWCDRXRNBRVTL-ZDUSSCGKSA-N 1 0 255.365 2.373 10 0 CEAERO NNc1nc(N2CCCCCCC2)c(Cl)c[nH+]1 ZINC000087897668 179515998 /nfs/dbraw/zinc/51/59/98/179515998.db2.gz GYGXYZMXDGYZLD-UHFFFAOYSA-N 1 0 255.753 2.186 10 0 CEAERO CCn1cc(C[C@H]([NH3+])[C@H]2CCOc3ccccc32)cn1 ZINC000088019552 179536402 /nfs/dbraw/zinc/53/64/02/179536402.db2.gz WQBVOEBIXXWDGI-ZFWWWQNUSA-N 1 0 271.364 2.339 10 0 CEAERO CC[C@@H]([NH3+])C[S@](=O)Cc1ccc(Br)cc1 ZINC000088073286 179544538 /nfs/dbraw/zinc/54/45/38/179544538.db2.gz LZULTIWTKJIWIL-ABAIWWIYSA-N 1 0 290.226 2.435 10 0 CEAERO CC[N@@H+]1CCO[C@@H](CCNC(=O)OC(C)(C)C)CC1 ZINC000616666398 348555455 /nfs/dbraw/zinc/55/54/55/348555455.db2.gz QZELALBIGLBSRF-LBPRGKRZSA-N 1 0 272.389 2.012 10 0 CEAERO [NH3+]CCN1C[C@@H](c2ccc(CO)cc2)Cc2ccccc21 ZINC000616672456 348556866 /nfs/dbraw/zinc/55/68/66/348556866.db2.gz OMOWLSSSCAIACZ-KRWDZBQOSA-N 1 0 282.387 2.284 10 0 CEAERO [NH3+]CCN1CC[C@@H](c2cccnc2)c2ccccc21 ZINC000616673734 348556872 /nfs/dbraw/zinc/55/68/72/348556872.db2.gz DCTGFYWDIBHVIX-AWEZNQCLSA-N 1 0 253.349 2.382 10 0 CEAERO COc1ccccc1C[C@@H](C)N(C)C(=[NH2+])NC1CC1 ZINC000088204323 179565709 /nfs/dbraw/zinc/56/57/09/179565709.db2.gz OFHAFISAECVUCI-LLVKDONJSA-N 1 0 261.369 2.245 10 0 CEAERO [NH3+]CCN1C[C@H](c2cccc(CCO)c2)Nc2ccccc21 ZINC000616685662 348560290 /nfs/dbraw/zinc/56/02/90/348560290.db2.gz ROTUVZWOSZYNMQ-QGZVFWFLSA-N 1 0 297.402 2.153 10 0 CEAERO CC[N@@H+]1CCO[C@H](c2cc3ccccc3nn2)CC1 ZINC000616686406 348560937 /nfs/dbraw/zinc/56/09/37/348560937.db2.gz JVNRSPVQFFGOCT-HNNXBMFYSA-N 1 0 257.337 2.413 10 0 CEAERO COc1ccc(OCCO[C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000088402730 179593597 /nfs/dbraw/zinc/59/35/97/179593597.db2.gz PHGGUYDINRBLLH-SWLSCSKDSA-N 1 0 265.353 2.231 10 0 CEAERO CC(C)[NH2+][C@@](CO)(CN(C)CCC(F)(F)F)C1CC1 ZINC000088439525 179602410 /nfs/dbraw/zinc/60/24/10/179602410.db2.gz VUESGKGAMPMLND-GFCCVEGCSA-N 1 0 282.350 2.010 10 0 CEAERO Cc1nn(C)c(N2CCC[C@@H](C(F)(F)F)C2)c1CC[NH3+] ZINC000088439373 179602793 /nfs/dbraw/zinc/60/27/93/179602793.db2.gz CNBJNQNBVKSKBP-SNVBAGLBSA-N 1 0 290.333 2.008 10 0 CEAERO CC(C)N(CC(F)(F)F)C(=O)[C@@H]1C[NH2+]C[C@H](C)C1 ZINC000088450582 179605838 /nfs/dbraw/zinc/60/58/38/179605838.db2.gz OAOICFGOABATOW-ZJUUUORDSA-N 1 0 266.307 2.031 10 0 CEAERO C[C@H](NC(=O)[C@@H]1C[NH2+]C[C@@H](C)C1)C1CCCCC1 ZINC000088450948 179606805 /nfs/dbraw/zinc/60/68/05/179606805.db2.gz JVPZCASQCZVYOB-OBJOEFQTSA-N 1 0 252.402 2.317 10 0 CEAERO Cc1nn(C)c(C)c1OCc1ccc(C[NH3+])cc1F ZINC000088453205 179607093 /nfs/dbraw/zinc/60/70/93/179607093.db2.gz QMHHWXVDMVRPKZ-UHFFFAOYSA-N 1 0 263.316 2.214 10 0 CEAERO Cc1ccc([C@H]([NH3+])Cn2c3ncccc3oc2=O)cc1C ZINC000088396893 179590975 /nfs/dbraw/zinc/59/09/75/179590975.db2.gz MBTUYRQKIFJPAX-CYBMUJFWSA-N 1 0 283.331 2.306 10 0 CEAERO CC(C)[NH2+]Cc1ccc2c(ccn2Cc2ncnn2C)c1 ZINC000088583510 179629967 /nfs/dbraw/zinc/62/99/67/179629967.db2.gz IQQOAFOPOXPBKV-UHFFFAOYSA-N 1 0 283.379 2.316 10 0 CEAERO CC[C@H]([NH3+])c1ccccc1OCc1ncnn1CC ZINC000088585353 179631219 /nfs/dbraw/zinc/63/12/19/179631219.db2.gz ZINFRSHVHWDHNP-LBPRGKRZSA-N 1 0 260.341 2.287 10 0 CEAERO CC(C)n1ncnc1CN(CCC[NH3+])c1ccc(F)cc1 ZINC000088585793 179631385 /nfs/dbraw/zinc/63/13/85/179631385.db2.gz UJBLEGGZKHXWCR-UHFFFAOYSA-N 1 0 291.374 2.354 10 0 CEAERO CC(C)Cn1ncnc1COc1ccccc1C[C@@H](C)[NH3+] ZINC000088617420 179640435 /nfs/dbraw/zinc/64/04/35/179640435.db2.gz GECMZZPZHSDAFK-CYBMUJFWSA-N 1 0 288.395 2.403 10 0 CEAERO CCCn1ncnc1C[C@H](C[NH2+]C1CC1)C(C)C ZINC000088620540 179641344 /nfs/dbraw/zinc/64/13/44/179641344.db2.gz IZEIRHDGDGUCHA-GFCCVEGCSA-N 1 0 250.390 2.255 10 0 CEAERO CC[C@]1(C)C[NH2+][C@H](C(C)C)CN1Cc1ncnn1C(C)C ZINC000088625211 179642637 /nfs/dbraw/zinc/64/26/37/179642637.db2.gz JYWJFMBDMSEBFS-GOEBONIOSA-N 1 0 293.459 2.458 10 0 CEAERO CCCn1ncnc1CN1CC(CC)(CC)[NH2+]CC1(C)C ZINC000088625710 179643099 /nfs/dbraw/zinc/64/30/99/179643099.db2.gz FXBBLDMUMLJCNB-UHFFFAOYSA-N 1 0 293.459 2.431 10 0 CEAERO CC[NH2+]Cc1ncnn1Cc1ccc(C(F)(F)F)cc1 ZINC000088628753 179643770 /nfs/dbraw/zinc/64/37/70/179643770.db2.gz COFWQFVDHJRRDQ-UHFFFAOYSA-N 1 0 284.285 2.455 10 0 CEAERO CCCC[C@@H](C)NS(=O)(=O)Cc1cccc(C[NH2+]C)c1 ZINC000089022722 179691863 /nfs/dbraw/zinc/69/18/63/179691863.db2.gz WMMRFWGLKVRXPK-CYBMUJFWSA-N 1 0 298.452 2.404 10 0 CEAERO CCC[NH2+]CCc1nnc(CCC(F)(F)F)o1 ZINC000088834924 179680395 /nfs/dbraw/zinc/68/03/95/179680395.db2.gz CEWGVPQHFSFLJB-UHFFFAOYSA-N 1 0 251.252 2.107 10 0 CEAERO CCC[C@H]1CN(CCOC(F)(F)F)C(C)(C)C[NH2+]1 ZINC000089056935 179695089 /nfs/dbraw/zinc/69/50/89/179695089.db2.gz VRGGVBLHGBJSRA-JTQLQIEISA-N 1 0 268.323 2.375 10 0 CEAERO COCc1ccccc1-n1ccc(C[NH2+]C2CC2)n1 ZINC000089060074 179695478 /nfs/dbraw/zinc/69/54/78/179695478.db2.gz FEMORPQOWIOXHU-UHFFFAOYSA-N 1 0 257.337 2.271 10 0 CEAERO CCS(=O)(=O)c1ccc(N[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089105819 179701850 /nfs/dbraw/zinc/70/18/50/179701850.db2.gz ALRNOGSKLVCNJO-SMDDNHRTSA-N 1 0 282.409 2.020 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1Nc1ccc(-n2nccn2)cc1 ZINC000089144017 179721314 /nfs/dbraw/zinc/72/13/14/179721314.db2.gz SPVQIELVHKSCAL-SWLSCSKDSA-N 1 0 271.368 2.197 10 0 CEAERO CCN(C(=O)c1ccc(N(C)C)cc1)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089114658 179708914 /nfs/dbraw/zinc/70/89/14/179708914.db2.gz WUHFTWDCVHERDF-GOEBONIOSA-N 1 0 289.423 2.342 10 0 CEAERO CN(C(=O)c1ccc2[nH]cnc2c1)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089119529 179711771 /nfs/dbraw/zinc/71/17/71/179711771.db2.gz SNRQSKOQURYIEA-SWLSCSKDSA-N 1 0 286.379 2.152 10 0 CEAERO C[C@@H]1CCC[C@@H](C[NH3+])N1Cc1nn(C)c2ccccc12 ZINC000089175911 179741266 /nfs/dbraw/zinc/74/12/66/179741266.db2.gz GMXAGSSBFHKIFF-OLZOCXBDSA-N 1 0 272.396 2.275 10 0 CEAERO CCc1cc(CN2CCCC[C@H]2[C@@H](C)[NH2+]C)n(CC)n1 ZINC000089180659 179744524 /nfs/dbraw/zinc/74/45/24/179744524.db2.gz PTVVFBNEVDHZMS-CJNGLKHVSA-N 1 0 278.444 2.428 10 0 CEAERO CCC[NH2+][C@@H](CCOC)Cc1c(Cl)c(C)nn1C ZINC000089251011 179760749 /nfs/dbraw/zinc/76/07/49/179760749.db2.gz WSZMEPONNOQDFC-NSHDSACASA-N 1 0 273.808 2.329 10 0 CEAERO CCc1cc(C[C@H](Cc2ccccn2)[NH2+]C)n(CC)n1 ZINC000089193256 179749866 /nfs/dbraw/zinc/74/98/66/179749866.db2.gz MQHUNCSAQHKCAN-HNNXBMFYSA-N 1 0 272.396 2.234 10 0 CEAERO C[NH2+][C@H](Cc1cc(C)nn1C)Cc1cc(F)cc(F)c1 ZINC000089193660 179749903 /nfs/dbraw/zinc/74/99/03/179749903.db2.gz BFCIKNPRAAFJGQ-AWEZNQCLSA-N 1 0 279.334 2.380 10 0 CEAERO CC[NH2+][C@@H](CCOC)Cc1cc(CC)nn1CC ZINC000089193640 179749984 /nfs/dbraw/zinc/74/99/84/179749984.db2.gz RJNCJQOSXGSSSN-ZDUSSCGKSA-N 1 0 253.390 2.023 10 0 CEAERO C[C@H]1C[C@H](O)C[N@H+](CCCOCc2ccccc2)C1 ZINC000401715649 233185362 /nfs/dbraw/zinc/18/53/62/233185362.db2.gz WKEVFBYPEPMQCB-HOCLYGCPSA-N 1 0 263.381 2.296 10 0 CEAERO C[NH2+][C@@H](Cc1cc(C)nn1C)Cc1ccc(F)cc1F ZINC000089198396 179751659 /nfs/dbraw/zinc/75/16/59/179751659.db2.gz QTJNXFYAXFVAPE-CYBMUJFWSA-N 1 0 279.334 2.380 10 0 CEAERO CN(Cc1ccsc1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089450707 539715924 /nfs/dbraw/zinc/71/59/24/539715924.db2.gz CHZITGQCNWKTAA-VXGBXAGGSA-N 1 0 252.383 2.082 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCc1ccc(Cl)cc1 ZINC000089450104 539716004 /nfs/dbraw/zinc/71/60/04/539716004.db2.gz AFGZDKAWFLPXAE-AAEUAGOBSA-N 1 0 266.772 2.331 10 0 CEAERO COc1ccc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])cc1OC ZINC000089449092 539716257 /nfs/dbraw/zinc/71/62/57/539716257.db2.gz YCIBKNNKZNEXOK-CMPLNLGQSA-N 1 0 278.352 2.017 10 0 CEAERO CC[NH2+][C@@H](Cc1cc(C)nn1CC)[C@@H]1CCCOC1 ZINC000089199567 179752397 /nfs/dbraw/zinc/75/23/97/179752397.db2.gz BJPRGJCCJJYYKR-HIFRSBDPSA-N 1 0 265.401 2.159 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000089454192 539716640 /nfs/dbraw/zinc/71/66/40/539716640.db2.gz FJXOREBCFTWXPK-GXTWGEPZSA-N 1 0 284.363 2.390 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000089454190 539716644 /nfs/dbraw/zinc/71/66/44/539716644.db2.gz FJXOREBCFTWXPK-OCCSQVGLSA-N 1 0 284.363 2.390 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000089453113 539716656 /nfs/dbraw/zinc/71/66/56/539716656.db2.gz RATBLJKSIAALJW-WBSGLHFFSA-N 1 0 276.424 2.302 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1ccccc1-n1ccnc1 ZINC000089451595 539717124 /nfs/dbraw/zinc/71/71/24/539717124.db2.gz CRFUGOGCRYSXOG-CHWSQXEVSA-N 1 0 284.363 2.186 10 0 CEAERO CN(CCOc1ccccc1F)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089455707 539717310 /nfs/dbraw/zinc/71/73/10/539717310.db2.gz IDQUMSFHHZBVGE-STQMWFEESA-N 1 0 294.370 2.038 10 0 CEAERO CCn1nc(C)cc1Cn1nc(C)c([C@@H](C)[NH3+])c1C ZINC000089206560 179754011 /nfs/dbraw/zinc/75/40/11/179754011.db2.gz LILCUNHBAGSNMN-SNVBAGLBSA-N 1 0 261.373 2.093 10 0 CEAERO CCn1nc(C)cc1CN1C[C@@H](C)[NH2+]C[C@@]1(C)CC ZINC000089208778 179754756 /nfs/dbraw/zinc/75/47/56/179754756.db2.gz JRHDHUVAWLYOAG-UKRRQHHQSA-N 1 0 264.417 2.174 10 0 CEAERO CCn1nc(C)cc1CN1C[C@@H](C2CC2)[NH2+]C[C@@H]1C(C)C ZINC000089211051 179755615 /nfs/dbraw/zinc/75/56/15/179755615.db2.gz JETICWMFAQFYCS-DLBZAZTESA-N 1 0 290.455 2.420 10 0 CEAERO CCc1nn(CC)c(C[C@@H]([NH2+]C)[C@@H]2CCOC2)c1Cl ZINC000089361022 179773015 /nfs/dbraw/zinc/77/30/15/179773015.db2.gz MRSPCLFHBBTBKM-ZYHUDNBSSA-N 1 0 285.819 2.286 10 0 CEAERO CCOC[C@H]([NH3+])Cc1c(Cl)c(CC)nn1CC ZINC000089361666 179773035 /nfs/dbraw/zinc/77/30/35/179773035.db2.gz QWFVIYIGARGUMR-SECBINFHSA-N 1 0 259.781 2.025 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)OCO2 ZINC000089387147 179778237 /nfs/dbraw/zinc/77/82/37/179778237.db2.gz JHRONOIBTBYAAY-JQWIXIFHSA-N 1 0 276.336 2.119 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC000250265635 539726725 /nfs/dbraw/zinc/72/67/25/539726725.db2.gz KKUFOGLBHVKVBB-KBPBESRZSA-N 1 0 254.418 2.266 10 0 CEAERO CC(C)N(CC(F)(F)F)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089456884 179794493 /nfs/dbraw/zinc/79/44/93/179794493.db2.gz ONKBBAPZQBGHHE-NXEZZACHSA-N 1 0 266.307 2.161 10 0 CEAERO Cc1nc(C)c([C@H](C)NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])s1 ZINC000089459184 179795437 /nfs/dbraw/zinc/79/54/37/179795437.db2.gz HMCOMVSYSIRUTR-MVWJERBFSA-N 1 0 281.425 2.312 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1cccc(-c2nnco2)c1 ZINC000089459644 179795477 /nfs/dbraw/zinc/79/54/77/179795477.db2.gz OIUVALLFJKAPOA-DGCLKSJQSA-N 1 0 286.335 2.050 10 0 CEAERO COc1ccccc1N(C)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089461180 179795836 /nfs/dbraw/zinc/79/58/36/179795836.db2.gz ZKEZQVCOMRJHCQ-NWDGAFQWSA-N 1 0 262.353 2.033 10 0 CEAERO CCCOc1cncc(NC[C@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000089532718 179811681 /nfs/dbraw/zinc/81/16/81/179811681.db2.gz YHCHNMFDALVEFW-CHWSQXEVSA-N 1 0 278.400 2.442 10 0 CEAERO CC(C)n1ncnc1COC[C@H]1CCCC[C@H]1C[NH3+] ZINC000089535424 179812446 /nfs/dbraw/zinc/81/24/46/179812446.db2.gz XJKAINIWJTXCPZ-QWHCGFSZSA-N 1 0 266.389 2.141 10 0 CEAERO Cc1ccc(NC(=O)COC[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089536517 179812902 /nfs/dbraw/zinc/81/29/02/179812902.db2.gz NLPLWJIFTJEBPA-UONOGXRCSA-N 1 0 276.380 2.325 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1COc1nccc(C(F)(F)F)n1 ZINC000089538258 179813609 /nfs/dbraw/zinc/81/36/09/179813609.db2.gz AYMKXYUFLJCPGL-RKDXNWHRSA-N 1 0 275.274 2.249 10 0 CEAERO NC(=O)c1cc(F)ccc1OC[C@H]1CCCC[C@H]1C[NH3+] ZINC000089537848 179813670 /nfs/dbraw/zinc/81/36/70/179813670.db2.gz NINHBHQCQOBSJC-WDEREUQCSA-N 1 0 280.343 2.069 10 0 CEAERO C[NH2+]C1CCC(O)(c2ccc(OC)c(F)c2)CC1 ZINC000089539450 179814194 /nfs/dbraw/zinc/81/41/94/179814194.db2.gz KLGDZBXCFMOACP-UHFFFAOYSA-N 1 0 253.317 2.184 10 0 CEAERO OC[C@H]1CCCC[C@H]1C[NH2+]CCCOCC(F)(F)F ZINC000089526781 179810116 /nfs/dbraw/zinc/81/01/16/179810116.db2.gz RJUYLMHLGRUOJY-NWDGAFQWSA-N 1 0 283.334 2.344 10 0 CEAERO [NH3+]CCC[C@H]1CCCN1c1ncnc2ccsc21 ZINC000104326030 185970216 /nfs/dbraw/zinc/97/02/16/185970216.db2.gz QLQSGXYHDYAXTH-JTQLQIEISA-N 1 0 262.382 2.399 10 0 CEAERO CCN(C(=O)Cc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC000104329594 185971505 /nfs/dbraw/zinc/97/15/05/185971505.db2.gz ZWBFEFRKIKGOPU-CQSZACIVSA-N 1 0 280.799 2.483 10 0 CEAERO Cc1ccc(CN(C(=O)C[C@@H]2CC[NH2+]C2)C(C)C)o1 ZINC000089744952 179858648 /nfs/dbraw/zinc/85/86/48/179858648.db2.gz ISGLKRCYVWDGSL-ZDUSSCGKSA-N 1 0 264.369 2.325 10 0 CEAERO C[C@H]1CN(C(=O)c2cccc3cc[nH]c32)C[C@H]1[NH+](C)C ZINC000089710327 179851141 /nfs/dbraw/zinc/85/11/41/179851141.db2.gz YXINFHKXGAJIIM-SMDDNHRTSA-N 1 0 271.364 2.190 10 0 CEAERO CCCC1(C(=O)NC[C@@](C)(O)CC(C)C)CC[NH2+]CC1 ZINC000090272581 179944482 /nfs/dbraw/zinc/94/44/82/179944482.db2.gz ZTKMEOWZLIQXKL-HNNXBMFYSA-N 1 0 284.444 2.070 10 0 CEAERO C[C@](O)(CO)C[NH2+][C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000090286299 179949791 /nfs/dbraw/zinc/94/97/91/179949791.db2.gz SWJUHCDQOHWRIT-BZUAXINKSA-N 1 0 269.429 2.458 10 0 CEAERO CCCN(Cc1cc(=O)oc2cc(C)ccc12)C1C[NH2+]C1 ZINC000090293927 179951850 /nfs/dbraw/zinc/95/18/50/179951850.db2.gz BOQAQCYJCHPKRC-UHFFFAOYSA-N 1 0 286.375 2.285 10 0 CEAERO CC(C)n1cc(Cl)cc1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090321265 179957902 /nfs/dbraw/zinc/95/79/02/179957902.db2.gz GMTKRGVJMOYPCL-PHIMTYICSA-N 1 0 281.787 2.014 10 0 CEAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)c1sccc1C ZINC000090330510 179962369 /nfs/dbraw/zinc/96/23/69/179962369.db2.gz MJRMHSOCUZLRNW-IJLUTSLNSA-N 1 0 264.394 2.127 10 0 CEAERO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1C(=O)C1CCCCCC1 ZINC000090336233 179965302 /nfs/dbraw/zinc/96/53/02/179965302.db2.gz IEAJNVQAIWKGJW-UONOGXRCSA-N 1 0 264.413 2.413 10 0 CEAERO CCOc1ccc(OC(=O)CSC[C@H](C)[NH3+])cc1 ZINC000090343411 179968541 /nfs/dbraw/zinc/96/85/41/179968541.db2.gz XDKMRUASHUUSJW-JTQLQIEISA-N 1 0 269.366 2.071 10 0 CEAERO C[C@H]([NH3+])CCSCC(=O)NC[C@@H](C)c1ccccc1 ZINC000090346410 179970679 /nfs/dbraw/zinc/97/06/79/179970679.db2.gz XTWBSYXUVKJYSC-OLZOCXBDSA-N 1 0 280.437 2.377 10 0 CEAERO CCN(C(C)=O)c1nc(CS[C@@H](C)CC[NH3+])cs1 ZINC000090354928 179974099 /nfs/dbraw/zinc/97/40/99/179974099.db2.gz NYDFGLNJYVQCNB-VIFPVBQESA-N 1 0 287.454 2.486 10 0 CEAERO Cc1ccc2c(c1)nc([C@H]1COC[C@@H]1[NH3+])n2C1CC1 ZINC000090363684 179978044 /nfs/dbraw/zinc/97/80/44/179978044.db2.gz BOAKJQRTZYQQDT-RYUDHWBXSA-N 1 0 257.337 2.121 10 0 CEAERO [NH3+][C@H]1COC[C@@H]1C(=O)N(C1CCCCC1)C1CCCCC1 ZINC000090378763 179979571 /nfs/dbraw/zinc/97/95/71/179979571.db2.gz BQWOFPZRXSCOBH-HOTGVXAUSA-N 1 0 294.439 2.454 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)Nc1ccccc1Cl ZINC000090538946 180000440 /nfs/dbraw/zinc/00/04/40/180000440.db2.gz ZRACCUJXHICUHP-MFKMUULPSA-N 1 0 282.771 2.293 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)NC1CCCCCCC1 ZINC000090538652 180000516 /nfs/dbraw/zinc/00/05/16/180000516.db2.gz FPFHHKMHQSAVCU-GJZGRUSLSA-N 1 0 282.428 2.230 10 0 CEAERO CCCCN(C(=O)[C@@H]1COC[C@@H]1[NH2+]CCC)[C@H](C)CC ZINC000090541894 180000672 /nfs/dbraw/zinc/00/06/72/180000672.db2.gz AGATWOPGNMRITM-KFWWJZLASA-N 1 0 284.444 2.428 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)N1CCC2(CCCC2)CC1 ZINC000090545177 180000751 /nfs/dbraw/zinc/00/07/51/180000751.db2.gz LRUZKEPQGOXMCA-CABCVRRESA-N 1 0 294.439 2.184 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)N1CCC2(CCCC2)CC1 ZINC000090545175 180001005 /nfs/dbraw/zinc/00/10/05/180001005.db2.gz LRUZKEPQGOXMCA-GJZGRUSLSA-N 1 0 294.439 2.184 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)N(C)c1cc(C)cc(C)c1 ZINC000090544413 180001120 /nfs/dbraw/zinc/00/11/20/180001120.db2.gz UZVHKPWMSPAHMH-HZPDHXFCSA-N 1 0 290.407 2.281 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)N[C@@H](C)CCCC(C)C ZINC000090543547 180001205 /nfs/dbraw/zinc/00/12/05/180001205.db2.gz CUTAVVPAYYTPSW-RRFJBIMHSA-N 1 0 284.444 2.332 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1CN(C)c1ccccc1F ZINC000090566726 180006350 /nfs/dbraw/zinc/00/63/50/180006350.db2.gz RDQGYPMYMJGESY-GXTWGEPZSA-N 1 0 266.360 2.277 10 0 CEAERO CCn1c2c(cccc2Cl)nc1[C@]1(C)COC[C@H]1[NH3+] ZINC000090571810 180007683 /nfs/dbraw/zinc/00/76/83/180007683.db2.gz ZACLHVZYAALOEP-BXUZGUMPSA-N 1 0 279.771 2.325 10 0 CEAERO CC(C)n1c2ccccc2nc1[C@]1(C)COC[C@@H]1[NH3+] ZINC000090571668 180007710 /nfs/dbraw/zinc/00/77/10/180007710.db2.gz HRCYJYMZMDYYIO-DZGCQCFKSA-N 1 0 259.353 2.232 10 0 CEAERO C[C@@]1(c2nc3ccccc3n2CC(F)(F)F)COC[C@H]1[NH3+] ZINC000090571875 180007882 /nfs/dbraw/zinc/00/78/82/180007882.db2.gz ANIZLJZNXUEKIJ-DGCLKSJQSA-N 1 0 299.296 2.214 10 0 CEAERO CC(C)n1c2ccc(F)cc2nc1[C@]1(C)COC[C@H]1[NH3+] ZINC000090571726 180007993 /nfs/dbraw/zinc/00/79/93/180007993.db2.gz AJNLVORXSKUDII-UKRRQHHQSA-N 1 0 277.343 2.372 10 0 CEAERO O=C(CSCC1C[NH2+]C1)Nc1ccc2c(c1)CCC2 ZINC000090712008 180028777 /nfs/dbraw/zinc/02/87/77/180028777.db2.gz MCFHEAZEXYTBOT-UHFFFAOYSA-N 1 0 276.405 2.066 10 0 CEAERO CC(C)c1cccc(NC(=O)[C@]2(C)COC[C@H]2[NH3+])c1 ZINC000090582356 180008447 /nfs/dbraw/zinc/00/84/47/180008447.db2.gz HDJMXRFUKTYWNQ-UKRRQHHQSA-N 1 0 262.353 2.112 10 0 CEAERO C[C@@]1(C(=O)Nc2ccc(Cl)cc2Cl)COC[C@@H]1[NH3+] ZINC000090580347 180008461 /nfs/dbraw/zinc/00/84/61/180008461.db2.gz XQMTVMYRFWNFBF-CMPLNLGQSA-N 1 0 289.162 2.296 10 0 CEAERO CCC(C)(C)C1CCC(NC(=O)[C@@]2(C)COC[C@H]2[NH3+])CC1 ZINC000090585353 180009639 /nfs/dbraw/zinc/00/96/39/180009639.db2.gz UBVAVMBBFSMJLF-GROLMSMHSA-N 1 0 296.455 2.461 10 0 CEAERO CCCN(Cc1ccc(C)cc1)C(=O)[C@]1(C)COC[C@@H]1[NH3+] ZINC000090590687 180010096 /nfs/dbraw/zinc/01/00/96/180010096.db2.gz ABPPINMUDJTBID-DOTOQJQBSA-N 1 0 290.407 2.097 10 0 CEAERO CC(C)COc1cccc(NC(=O)[C@@]2(C)COC[C@H]2[NH3+])c1 ZINC000090589877 180010264 /nfs/dbraw/zinc/01/02/64/180010264.db2.gz RHLBXCPZFZPYQT-ZBFHGGJFSA-N 1 0 292.379 2.024 10 0 CEAERO C[C@@H](OCCOc1ccc(C(N)=[NH2+])cc1)C(F)(F)F ZINC000090673199 180021619 /nfs/dbraw/zinc/02/16/19/180021619.db2.gz GTMAIKRFDIGPSL-MRVPVSSYSA-N 1 0 276.258 2.317 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)CCCO[C@@H](C)C(F)(F)F ZINC000090675963 180022564 /nfs/dbraw/zinc/02/25/64/180022564.db2.gz KTZVZQOQAALGOW-WDEREUQCSA-N 1 0 271.323 2.483 10 0 CEAERO Cc1ccc(NC(=O)CN(C)CC[C@H]2CCCC[NH2+]2)cc1 ZINC000090693406 180025298 /nfs/dbraw/zinc/02/52/98/180025298.db2.gz WFMRGQAPWZLBKM-OAHLLOKOSA-N 1 0 289.423 2.398 10 0 CEAERO COC(=O)c1cc(Oc2ccc(CC[NH3+])cc2)ccn1 ZINC000090739904 180034936 /nfs/dbraw/zinc/03/49/36/180034936.db2.gz IUVXJUXSFTUKRG-UHFFFAOYSA-N 1 0 272.304 2.162 10 0 CEAERO [NH3+]CCc1nc(-c2nc3cnccc3n2C2CC2)cs1 ZINC000090934805 180067529 /nfs/dbraw/zinc/06/75/29/180067529.db2.gz RQWKIRPAJCSQBH-UHFFFAOYSA-N 1 0 285.376 2.391 10 0 CEAERO CCCOc1cc(N[C@H]2CC[NH2+]C3(CCC3)C2)ncn1 ZINC000090785114 180040158 /nfs/dbraw/zinc/04/01/58/180040158.db2.gz WIQKQYIEZLGXCC-LBPRGKRZSA-N 1 0 276.384 2.352 10 0 CEAERO CCOc1cc(N2CCC[C@@H]2C[NH2+]C(C)(C)C)ncn1 ZINC000090784601 180040276 /nfs/dbraw/zinc/04/02/76/180040276.db2.gz YSBOCCGPAVSABW-GFCCVEGCSA-N 1 0 278.400 2.232 10 0 CEAERO COc1ncnc(N(C)c2cccc(C[NH3+])c2)c1C ZINC000090788709 180041393 /nfs/dbraw/zinc/04/13/93/180041393.db2.gz WXQOSQPKVFIASD-UHFFFAOYSA-N 1 0 258.325 2.020 10 0 CEAERO CCOc1cc(N[C@H]2c3ccccc3C[C@@H]2[NH3+])nc(C)n1 ZINC000090788393 180041459 /nfs/dbraw/zinc/04/14/59/180041459.db2.gz ZGYCXCQVAXXMPM-BBRMVZONSA-N 1 0 284.363 2.220 10 0 CEAERO CCC[NH2+]C[C@H]1CCCN1c1cc(OCC)nc(C)n1 ZINC000090788127 180041529 /nfs/dbraw/zinc/04/15/29/180041529.db2.gz ISNUFVRRZFYHFH-CYBMUJFWSA-N 1 0 278.400 2.152 10 0 CEAERO CCOc1ncnc(N[C@@H](C[NH3+])c2ccccc2)c1C ZINC000090790139 180042103 /nfs/dbraw/zinc/04/21/03/180042103.db2.gz QAUIYMXDJBPBEL-ZDUSSCGKSA-N 1 0 272.352 2.296 10 0 CEAERO CC[NH2+][C@H]1C[C@@H](Oc2ccc(S(C)(=O)=O)cc2)C1(C)C ZINC000090861998 180047336 /nfs/dbraw/zinc/04/73/36/180047336.db2.gz MOWASJCLHZVSND-UONOGXRCSA-N 1 0 297.420 2.246 10 0 CEAERO C[NH2+]Cc1cccc(S[C@@H](C)C(=O)NCCCOC)c1 ZINC000090870652 180048952 /nfs/dbraw/zinc/04/89/52/180048952.db2.gz QFBZULDTEOHYLK-LBPRGKRZSA-N 1 0 296.436 2.039 10 0 CEAERO C[C@@H](C[NH3+])CN1CCN(c2snc3ccccc32)CC1 ZINC000090868849 180049295 /nfs/dbraw/zinc/04/92/95/180049295.db2.gz QDPMVQAXPGYODL-LBPRGKRZSA-N 1 0 290.436 2.013 10 0 CEAERO CCC(CC)(C[NH3+])N(C)C[C@@H]1Cc2ccccc2O1 ZINC000090874049 180049939 /nfs/dbraw/zinc/04/99/39/180049939.db2.gz HYECZPWPZNTTKM-AWEZNQCLSA-N 1 0 262.397 2.439 10 0 CEAERO CCN(CC[NH2+]C(C)C)C[C@H]1Cc2ccccc2O1 ZINC000090875327 180051301 /nfs/dbraw/zinc/05/13/01/180051301.db2.gz VVSXJAVOJKYOTI-OAHLLOKOSA-N 1 0 262.397 2.310 10 0 CEAERO OCC1([NH2+]C[C@@H]2Cc3ccccc3O2)CCCCC1 ZINC000090874567 180051414 /nfs/dbraw/zinc/05/14/14/180051414.db2.gz OIZRADABHMXMRF-AWEZNQCLSA-N 1 0 261.365 2.275 10 0 CEAERO Fc1ccc2c(c1)C[C@H](C[NH2+]CCc1ccccn1)O2 ZINC000090891938 180053496 /nfs/dbraw/zinc/05/34/96/180053496.db2.gz WLOXMQDYDPPPEJ-OAHLLOKOSA-N 1 0 272.323 2.357 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]Cc2cnn(C)c2C)c1C ZINC000090887676 180054057 /nfs/dbraw/zinc/05/40/57/180054057.db2.gz LWDGGLNEABMKIS-JTQLQIEISA-N 1 0 275.400 2.413 10 0 CEAERO CN1CCCC[C@@H]1C[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892555 180054639 /nfs/dbraw/zinc/05/46/39/180054639.db2.gz CUVLPKPJNLBXOF-CABCVRRESA-N 1 0 278.371 2.203 10 0 CEAERO CCC[NH2+]CCOC[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893695 180055059 /nfs/dbraw/zinc/05/50/59/180055059.db2.gz PWXODCXGZKQMFH-ZDUSSCGKSA-N 1 0 253.317 2.145 10 0 CEAERO COCC[C@H](C)[NH2+]C[C@H]1Cc2cc(F)ccc2O1 ZINC000090892914 180055072 /nfs/dbraw/zinc/05/50/72/180055072.db2.gz IMCNLXOYQOIBIL-GXFFZTMASA-N 1 0 253.317 2.144 10 0 CEAERO CCC(O)(CC)C[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892973 180055084 /nfs/dbraw/zinc/05/50/84/180055084.db2.gz RZNUGQDMLYISGD-ZDUSSCGKSA-N 1 0 267.344 2.270 10 0 CEAERO Fc1ccc2c(c1)C[C@H](COC[C@H]1CCC[NH2+]C1)O2 ZINC000090893679 180055459 /nfs/dbraw/zinc/05/54/59/180055459.db2.gz CICDOICWGCSFAU-SMDDNHRTSA-N 1 0 265.328 2.145 10 0 CEAERO CCCCN(CC[NH3+])C[C@H]1Cc2cc(F)ccc2O1 ZINC000090893504 180055486 /nfs/dbraw/zinc/05/54/86/180055486.db2.gz SFHRANPHRXXLLH-CQSZACIVSA-N 1 0 266.360 2.190 10 0 CEAERO CCCn1c(-c2csc(CC[NH3+])n2)nc2cccnc21 ZINC000090934811 180067268 /nfs/dbraw/zinc/06/72/68/180067268.db2.gz BOQZLMHJNQURLT-UHFFFAOYSA-N 1 0 287.392 2.466 10 0 CEAERO [NH3+]C1CCN(C[C@H]2Cc3cc(Cl)ccc3O2)CC1 ZINC000090900025 180058910 /nfs/dbraw/zinc/05/89/10/180058910.db2.gz ZEECPTUVBWRXNR-CYBMUJFWSA-N 1 0 266.772 2.067 10 0 CEAERO CC[C@]1(C)C[NH2+]CCN1C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090902455 180059665 /nfs/dbraw/zinc/05/96/65/180059665.db2.gz NXRUXERLAREIGG-DOTOQJQBSA-N 1 0 274.408 2.372 10 0 CEAERO C[C@@H](O)CC[NH2+]C[C@H]1Cc2cc(Cl)ccc2O1 ZINC000090905092 180059744 /nfs/dbraw/zinc/05/97/44/180059744.db2.gz OXQYZZSYRMYZFO-BXKDBHETSA-N 1 0 255.745 2.004 10 0 CEAERO Cn1nccc1C[NH2+]C[C@H]1Cc2cc(Cl)ccc2O1 ZINC000090904784 180059892 /nfs/dbraw/zinc/05/98/92/180059892.db2.gz DIONRJUDRNAPDI-CYBMUJFWSA-N 1 0 277.755 2.167 10 0 CEAERO CC[C@@](C)(O)C[NH2+]C[C@H]1Cc2cc(Cl)ccc2O1 ZINC000090905146 180060157 /nfs/dbraw/zinc/06/01/57/180060157.db2.gz AXWBFPUDYAZBNV-TZMCWYRMSA-N 1 0 269.772 2.394 10 0 CEAERO Clc1ccc2c(c1)C[C@H](C[NH2+]C[C@@H]1CCCO1)O2 ZINC000090903339 180060224 /nfs/dbraw/zinc/06/02/24/180060224.db2.gz UJDGFFUSWIHTBX-QWHCGFSZSA-N 1 0 267.756 2.412 10 0 CEAERO Clc1ccc2c(c1)C[C@@H](C[NH2+]CCn1ccnc1)O2 ZINC000090903936 180060235 /nfs/dbraw/zinc/06/02/35/180060235.db2.gz IBSYAZDMUYMRCX-ZDUSSCGKSA-N 1 0 277.755 2.130 10 0 CEAERO COc1ccc([C@H](C)O)cc1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000090906944 180060765 /nfs/dbraw/zinc/06/07/65/180060765.db2.gz RDPGOMOYOYFDGP-TUKIKUTGSA-N 1 0 277.364 2.112 10 0 CEAERO CC[NH2+][C@H](CN1C[C@H]2CC[C@@H](C1)O2)c1cccc(OC)c1 ZINC000090905989 180060842 /nfs/dbraw/zinc/06/08/42/180060842.db2.gz AYOSSUJJKANMGD-IXDOHACOSA-N 1 0 290.407 2.209 10 0 CEAERO [NH3+]C[C@H](c1ccc2ncccc2c1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905930 180061041 /nfs/dbraw/zinc/06/10/41/180061041.db2.gz LVYRTLUMQIQPOF-HLLBOEOZSA-N 1 0 283.375 2.098 10 0 CEAERO Cc1ccc([C@@H](O)CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090907679 180061562 /nfs/dbraw/zinc/06/15/62/180061562.db2.gz GQMSNMWFENJLME-XHSDSOJGSA-N 1 0 261.365 2.282 10 0 CEAERO [NH3+]Cc1nc(-c2nc([C@@H]3Cc4ccccc43)no2)cs1 ZINC000090933581 180067372 /nfs/dbraw/zinc/06/73/72/180067372.db2.gz RKXSILDYEJLLSN-SNVBAGLBSA-N 1 0 284.344 2.340 10 0 CEAERO COC[C@H](O)CC[NH2+][C@@H](Cc1ccccc1OC)C(C)C ZINC000090949536 180071002 /nfs/dbraw/zinc/07/10/02/180071002.db2.gz RKAHIPNGAREOOY-CVEARBPZSA-N 1 0 295.423 2.249 10 0 CEAERO C[C@H](NC(=O)c1csc(CC[NH3+])n1)c1cccc(F)c1 ZINC000090952053 180072820 /nfs/dbraw/zinc/07/28/20/180072820.db2.gz UIOHKJPERFMJHD-VIFPVBQESA-N 1 0 293.367 2.274 10 0 CEAERO CCC[C@@H](C[NH3+])[C@](C)(O)COCc1ccccc1 ZINC000669377269 539759063 /nfs/dbraw/zinc/75/90/63/539759063.db2.gz LIARZDJFKROLCL-LSDHHAIUSA-N 1 0 251.370 2.329 10 0 CEAERO CC[NH+]1CCC(NCc2sccc2NC(C)=O)CC1 ZINC000090960365 180075238 /nfs/dbraw/zinc/07/52/38/180075238.db2.gz CNQIWLUIBMTRGZ-UHFFFAOYSA-N 1 0 281.425 2.280 10 0 CEAERO CC(C)C[C@H](CN(C)C)[NH2+]Cc1sccc1N ZINC000090960134 180075410 /nfs/dbraw/zinc/07/54/10/180075410.db2.gz KUDRKQOSBKQKTC-LLVKDONJSA-N 1 0 255.431 2.396 10 0 CEAERO [NH3+]CCOc1ccc(NC(=O)[C@H]2Cc3ccccc32)cc1 ZINC000090982581 180079461 /nfs/dbraw/zinc/07/94/61/180079461.db2.gz XAYCQNCAMTXYCE-INIZCTEOSA-N 1 0 282.343 2.303 10 0 CEAERO CCN(CC)C(=O)[C@H](C)[NH2+]C[C@@H]1Cc2ccccc21 ZINC000090992598 180081918 /nfs/dbraw/zinc/08/19/18/180081918.db2.gz KZCUTKFSXXMKMR-JSGCOSHPSA-N 1 0 260.381 2.173 10 0 CEAERO CC(C)(C)OC[C@H](O)C[NH2+]C[C@H]1Cc2ccccc21 ZINC000090992509 180082329 /nfs/dbraw/zinc/08/23/29/180082329.db2.gz RFKDAVBARVSDHR-ZIAGYGMSSA-N 1 0 263.381 2.092 10 0 CEAERO CC(C)(C)[NH2+]Cc1cccn1CCC(=O)NC1CC1 ZINC000091001716 180083193 /nfs/dbraw/zinc/08/31/93/180083193.db2.gz HHCRYIKJQBYBBV-UHFFFAOYSA-N 1 0 263.385 2.045 10 0 CEAERO Cn1c(Cl)cnc1Cn1cccc1C[NH2+]C1CC1 ZINC000091001407 180083435 /nfs/dbraw/zinc/08/34/35/180083435.db2.gz IHPJHTHYVGONRE-UHFFFAOYSA-N 1 0 264.760 2.175 10 0 CEAERO [NH3+]CCc1cccn1C[C@H]1OCCc2ccccc21 ZINC000091004903 180084000 /nfs/dbraw/zinc/08/40/00/180084000.db2.gz AEPSKLJMGHMBBM-MRXNPFEDSA-N 1 0 256.349 2.303 10 0 CEAERO CCc1noc(Cn2nc(C)c(C[NH2+]CC(C)C)c2C)n1 ZINC000091002291 180084137 /nfs/dbraw/zinc/08/41/37/180084137.db2.gz NWLGEAXSUQPTTP-UHFFFAOYSA-N 1 0 291.399 2.239 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](Cn1cccc1CC[NH3+])O2 ZINC000091004939 180084146 /nfs/dbraw/zinc/08/41/46/180084146.db2.gz NBWZNLMKEJAMPL-HNNXBMFYSA-N 1 0 256.349 2.301 10 0 CEAERO C[NH2+]Cc1ccn(C[C@@H]2Cc3cc(F)ccc3O2)c1 ZINC000091003078 180084308 /nfs/dbraw/zinc/08/43/08/180084308.db2.gz OHATWGPHHGFTBF-AWEZNQCLSA-N 1 0 260.312 2.350 10 0 CEAERO COc1ccc(Cn2cccc2C[C@@H](C)[NH3+])cc1OC ZINC000091005408 180084581 /nfs/dbraw/zinc/08/45/81/180084581.db2.gz PDOBMZLJPMEPRO-GFCCVEGCSA-N 1 0 274.364 2.443 10 0 CEAERO C[NH2+]Cc1cn(CC[C@H]2CCCO2)c2ncccc12 ZINC000091019703 180087862 /nfs/dbraw/zinc/08/78/62/180087862.db2.gz WHCRXXQGUHPNES-CYBMUJFWSA-N 1 0 259.353 2.325 10 0 CEAERO CCc1cc(Cn2cc(C[NH2+]C)c3cccnc32)n(C)n1 ZINC000091019305 180087996 /nfs/dbraw/zinc/08/79/96/180087996.db2.gz MLIKWVGUCXIWTE-UHFFFAOYSA-N 1 0 283.379 2.100 10 0 CEAERO CC[NH2+]Cc1cn(CC(=O)NC(C)(C)C)c2ncccc12 ZINC000091020136 180088310 /nfs/dbraw/zinc/08/83/10/180088310.db2.gz YFDOZPOLDRHAHV-UHFFFAOYSA-N 1 0 288.395 2.061 10 0 CEAERO CCOCCn1cc(C[C@@H]([NH3+])CC)c2cccnc21 ZINC000091022032 180088652 /nfs/dbraw/zinc/08/86/52/180088652.db2.gz VFLCOBRCALKQGW-ZDUSSCGKSA-N 1 0 261.369 2.353 10 0 CEAERO CC[C@@H]([NH3+])Cc1cn(Cc2cnn(C)c2)c2ncccc12 ZINC000091022030 180088968 /nfs/dbraw/zinc/08/89/68/180088968.db2.gz FIXWXJBYIYKOMF-CQSZACIVSA-N 1 0 283.379 2.098 10 0 CEAERO C[C@H]([NH3+])c1nc(-c2nc(C3CCC3)no2)cs1 ZINC000090939132 180068145 /nfs/dbraw/zinc/06/81/45/180068145.db2.gz CICUYPRFGHEGAQ-LURJTMIESA-N 1 0 250.327 2.480 10 0 CEAERO [NH3+]CCc1nc(C(=O)Nc2cccc3ncccc32)cs1 ZINC000090945576 180069631 /nfs/dbraw/zinc/06/96/31/180069631.db2.gz QTSJGFNDYPZLSH-UHFFFAOYSA-N 1 0 298.371 2.445 10 0 CEAERO CCCn1cccc1C[NH2+]C[C@@H]1CCC[C@H]1CO ZINC000091127994 180099245 /nfs/dbraw/zinc/09/92/45/180099245.db2.gz OKGZYCKFFGZTDB-KBPBESRZSA-N 1 0 250.386 2.396 10 0 CEAERO C[NH+]1CCC2(CC1)C(=O)Nc1cc(Br)ccc12 ZINC000091303218 180129552 /nfs/dbraw/zinc/12/95/52/180129552.db2.gz SOWJEYXVGLHJTF-UHFFFAOYSA-N 1 0 295.180 2.365 10 0 CEAERO CCCCC[N@H+](C(C)C)[C@@H](CN)CC(=O)NCCC ZINC000091317355 180133668 /nfs/dbraw/zinc/13/36/68/180133668.db2.gz JNHYMVALZMREMR-CQSZACIVSA-N 1 0 271.449 2.131 10 0 CEAERO C[N@H+](CC1CCCCC1)[C@@H](CN)CC(=O)NC(C)(C)C ZINC000091321291 180134411 /nfs/dbraw/zinc/13/44/11/180134411.db2.gz WROSDBNZBJQQHP-CQSZACIVSA-N 1 0 283.460 2.131 10 0 CEAERO CCN(CC)C(=O)C[C@H](CN)[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000091322835 180134417 /nfs/dbraw/zinc/13/44/17/180134417.db2.gz VEGCDUPKUOTCQS-RRFJBIMHSA-N 1 0 283.460 2.083 10 0 CEAERO C[C@@H](O)[C@](C[NH3+])(CC1CCOCC1)c1ccccc1 ZINC000091327853 180135887 /nfs/dbraw/zinc/13/58/87/180135887.db2.gz WHGWWGDOICBFSH-CZUORRHYSA-N 1 0 263.381 2.081 10 0 CEAERO CCn1nc(C)cc1C[C@](C[NH3+])(c1ccccc1)[C@@H](C)O ZINC000091327817 180135937 /nfs/dbraw/zinc/13/59/37/180135937.db2.gz WNOSDLLKFVPBSN-RHSMWYFYSA-N 1 0 287.407 2.031 10 0 CEAERO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC[S@@](C)=O ZINC000091341923 180137160 /nfs/dbraw/zinc/13/71/60/180137160.db2.gz CDRIGOKLYVXFIR-QFYYESIMSA-N 1 0 259.802 2.239 10 0 CEAERO O=C(Nc1ccncc1)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000091359087 180140752 /nfs/dbraw/zinc/14/07/52/180140752.db2.gz IVMKOIILWRFZME-XBFCOCLRSA-N 1 0 259.353 2.331 10 0 CEAERO C[C@H](CO)CSc1nc2ccccc2cc1C(N)=[NH2+] ZINC000091256541 180115217 /nfs/dbraw/zinc/11/52/17/180115217.db2.gz BUEIRAXBKRKAOO-SECBINFHSA-N 1 0 275.377 2.239 10 0 CEAERO COc1ccc([C@@H]([NH3+])CS[C@H](C)CCO)cc1 ZINC000091269322 180116953 /nfs/dbraw/zinc/11/69/53/180116953.db2.gz BPMHIBYDVIFUSQ-MFKMUULPSA-N 1 0 255.383 2.199 10 0 CEAERO CCCN1CCCC[C@@H]([NH3+])[C@@H]1c1cncn1C1CC1 ZINC000091275672 180118451 /nfs/dbraw/zinc/11/84/51/180118451.db2.gz OZTOPQXYYVKBPR-UKRRQHHQSA-N 1 0 262.401 2.482 10 0 CEAERO c1cn([C@H]2CCC[C@H]2[NH2+]Cc2cncn2C2CC2)cn1 ZINC000091275122 180119068 /nfs/dbraw/zinc/11/90/68/180119068.db2.gz ARJJKRBIRFYVGO-CABCVRRESA-N 1 0 271.368 2.298 10 0 CEAERO CCCN1CC[C@@H](C[NH2+]C)[C@@H]1c1cncn1C1CC1 ZINC000091275431 180119137 /nfs/dbraw/zinc/11/91/37/180119137.db2.gz BOWYKKJGOUNBQK-SWLSCSKDSA-N 1 0 262.401 2.210 10 0 CEAERO CN(c1ccccc1F)[C@@H](C[NH3+])c1cncn1C1CC1 ZINC000091276491 180120042 /nfs/dbraw/zinc/12/00/42/180120042.db2.gz SEKFGBDCTNWKAA-AWEZNQCLSA-N 1 0 274.343 2.493 10 0 CEAERO CN(Cc1cncn1C1CC1)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000091277113 180120325 /nfs/dbraw/zinc/12/03/25/180120325.db2.gz MPVAFTJIMGCYHT-IUODEOHRSA-N 1 0 262.401 2.167 10 0 CEAERO O[C@@H]1CC[C@H]2C[N@H+](CCOCC3CCCC3)C[C@H]2C1 ZINC000412052784 233325175 /nfs/dbraw/zinc/32/51/75/233325175.db2.gz YKXGOLXQQQHHTM-ARFHVFGLSA-N 1 0 267.413 2.286 10 0 CEAERO Cc1occc1CN(C)CC[C@H]1CSCC[NH2+]1 ZINC000091292084 180123656 /nfs/dbraw/zinc/12/36/56/180123656.db2.gz HCSGFMCOTOKZJI-ZDUSSCGKSA-N 1 0 254.399 2.115 10 0 CEAERO Fc1ccc(-c2noc(C[C@H]3C[NH2+]CCO3)n2)cc1Cl ZINC000091295112 180124729 /nfs/dbraw/zinc/12/47/29/180124729.db2.gz QAVUQMSKVRFLEL-VIFPVBQESA-N 1 0 297.717 2.060 10 0 CEAERO c1c2ccccc2oc1-c1noc(C[C@@H]2C[NH2+]CCO2)n1 ZINC000091295113 180124971 /nfs/dbraw/zinc/12/49/71/180124971.db2.gz KCBGVSOBBBPLBB-LLVKDONJSA-N 1 0 285.303 2.014 10 0 CEAERO C[C@@H]1CCC[C@](CO)(C[N@@H+]2CCC[C@H](N(C)C)C2)C1 ZINC000091429647 180152865 /nfs/dbraw/zinc/15/28/65/180152865.db2.gz ASTXKOYQHMPGPP-OWCLPIDISA-N 1 0 268.445 2.201 10 0 CEAERO CC[NH2+]Cc1cncc(Oc2ccccc2OC)n1 ZINC000091434696 180154247 /nfs/dbraw/zinc/15/42/47/180154247.db2.gz RIPGVOJEYOGVRO-UHFFFAOYSA-N 1 0 259.309 2.387 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccncc1 ZINC000091437267 180155157 /nfs/dbraw/zinc/15/51/57/180155157.db2.gz XRGCLWWDSXMYMP-BNOWGMLFSA-N 1 0 282.409 2.088 10 0 CEAERO CCC[NH2+]CC[C@@](C)(O)Cc1c(Cl)c(CC)nn1C ZINC000091465388 180163828 /nfs/dbraw/zinc/16/38/28/180163828.db2.gz UWBSZJIDWKYNJJ-CQSZACIVSA-N 1 0 287.835 2.319 10 0 CEAERO C[NH2+]CC1CC(OCC(=O)Nc2cccc(Cl)c2)C1 ZINC000091470953 180164840 /nfs/dbraw/zinc/16/48/40/180164840.db2.gz XLIVNLPCNJATFE-UHFFFAOYSA-N 1 0 282.771 2.293 10 0 CEAERO CN(CC1CC([NH3+])C1)C(=O)c1cc2ccccc2o1 ZINC000091473057 180165462 /nfs/dbraw/zinc/16/54/62/180165462.db2.gz UBHXDUBHVWMVRY-UHFFFAOYSA-N 1 0 258.321 2.242 10 0 CEAERO Cc1ccc(C(F)(F)F)cc1N1C[C@@H]([NH3+])CC1=O ZINC000091480782 180166526 /nfs/dbraw/zinc/16/65/26/180166526.db2.gz WTDVGWBNUIALJP-VIFPVBQESA-N 1 0 258.243 2.078 10 0 CEAERO Cc1ccc(C(F)(F)F)cc1-n1nnnc1C[NH2+]C(C)C ZINC000091481000 180166804 /nfs/dbraw/zinc/16/68/04/180166804.db2.gz CGBZTAKDKKMDFW-UHFFFAOYSA-N 1 0 299.300 2.488 10 0 CEAERO CC(C)CCC[C@H](C)NC(=O)C[N@H+](C)CC1CC(O)C1 ZINC000091491033 180169592 /nfs/dbraw/zinc/16/95/92/180169592.db2.gz BSCQNTBRSVJWBO-NFOMZHRRSA-N 1 0 284.444 2.020 10 0 CEAERO CCCCN(CCCC)C(=O)C[N@H+](C)CC1CC(O)C1 ZINC000091491035 180170263 /nfs/dbraw/zinc/17/02/63/180170263.db2.gz BSAGYMSOZNIHJU-UHFFFAOYSA-N 1 0 284.444 2.118 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1C(=O)C1C(C)(C)C1(C)C ZINC000091492699 180170847 /nfs/dbraw/zinc/17/08/47/180170847.db2.gz BQXFBNRIGVUBOY-LLVKDONJSA-N 1 0 252.402 2.269 10 0 CEAERO CC1(C)C(C(=O)N[C@@H](C[NH3+])Cc2ccccc2)C1(C)C ZINC000091494704 180171047 /nfs/dbraw/zinc/17/10/47/180171047.db2.gz ZLIGTDOURZRLBP-CYBMUJFWSA-N 1 0 274.408 2.355 10 0 CEAERO CC[C@H]1CCc2nc([C@@H]3C[NH2+]CCO3)sc2C1 ZINC000091501363 180174721 /nfs/dbraw/zinc/17/47/21/180174721.db2.gz GICMNZPRZMIHIN-ONGXEEELSA-N 1 0 252.383 2.319 10 0 CEAERO CCC[NH2+][C@@H](C)C(C)(C)CN(C)Cc1cnn(C)c1 ZINC000091404141 180147225 /nfs/dbraw/zinc/14/72/25/180147225.db2.gz HAAVFZFNIIAYTD-ZDUSSCGKSA-N 1 0 266.433 2.266 10 0 CEAERO C[C@@H](NC(=O)C1C[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000091408861 180148320 /nfs/dbraw/zinc/14/83/20/180148320.db2.gz JQKUNHOLPUQLTQ-MRVPVSSYSA-N 1 0 272.270 2.102 10 0 CEAERO CC(C)CN(C)c1cncc(C[NH2+]C(C)(C)C)n1 ZINC000091419183 180150471 /nfs/dbraw/zinc/15/04/71/180150471.db2.gz YCDSATQOXRAGQQ-UHFFFAOYSA-N 1 0 250.390 2.457 10 0 CEAERO CCC[NH2+]Cc1cncc(N(C)C[C@@H](C)CC)n1 ZINC000091419208 180150481 /nfs/dbraw/zinc/15/04/81/180150481.db2.gz FWBJRYZKFVPTQW-LBPRGKRZSA-N 1 0 250.390 2.459 10 0 CEAERO COc1ccc([C@H](C)[NH2+]CC2CC(O)C2)cc1F ZINC000091423389 180151180 /nfs/dbraw/zinc/15/11/80/180151180.db2.gz RIVJDXHVQHBRHO-BMQDGWLCSA-N 1 0 253.317 2.256 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)N2CCC[C@H]([NH+](C)C)C2)o1 ZINC000105087005 186040704 /nfs/dbraw/zinc/04/07/04/186040704.db2.gz WTDGMGVMLGARLE-STQMWFEESA-N 1 0 279.384 2.385 10 0 CEAERO CC(C)([C@H](O)CC1CCOCC1)[NH+]1CCCCC1 ZINC000091564134 180193641 /nfs/dbraw/zinc/19/36/41/180193641.db2.gz IFBNAMZMQLXYCD-CQSZACIVSA-N 1 0 255.402 2.429 10 0 CEAERO COc1ccc(C)cc1[C@@H]([NH3+])C(C)(C)N1CCOCC1 ZINC000091566394 180194098 /nfs/dbraw/zinc/19/40/98/180194098.db2.gz JFNLNMXIVUHOND-OAHLLOKOSA-N 1 0 278.396 2.114 10 0 CEAERO CC(C)([C@@H](N)Cc1cccnc1N)[NH+]1CCCCCC1 ZINC000091567882 180194574 /nfs/dbraw/zinc/19/45/74/180194574.db2.gz GPHKDPKNTQIKHZ-AWEZNQCLSA-N 1 0 276.428 2.188 10 0 CEAERO Cc1cc(CC(=O)C(C)(C)[NH+]2CCCCCC2)n(C)n1 ZINC000091567253 180194678 /nfs/dbraw/zinc/19/46/78/180194678.db2.gz MATLOQDBDRPQQR-UHFFFAOYSA-N 1 0 277.412 2.495 10 0 CEAERO CC[NH2+][C@@H](Cc1ccc(F)cc1)C(C)(C)N1CCOCC1 ZINC000091566970 180194959 /nfs/dbraw/zinc/19/49/59/180194959.db2.gz NTOWTBKURDPGIX-INIZCTEOSA-N 1 0 294.414 2.457 10 0 CEAERO CC[C@](C)([C@@H]([NH2+]C)c1cc(Cl)cnc1N)N(C)C ZINC000091570343 180195752 /nfs/dbraw/zinc/19/57/52/180195752.db2.gz WYMWOINVSYWYJU-WCQYABFASA-N 1 0 270.808 2.308 10 0 CEAERO CC[C@@](C)([C@@H](Cc1c(Cl)c(C)nn1C)[NH2+]C)N(C)C ZINC000091570364 180195820 /nfs/dbraw/zinc/19/58/20/180195820.db2.gz JHLFIDJHAGVEFK-OCCSQVGLSA-N 1 0 286.851 2.243 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@H](N)Cc1cc(C)nn1C ZINC000091573885 180196066 /nfs/dbraw/zinc/19/60/66/180196066.db2.gz VUAACVKDOSMVQK-HUUCEWRRSA-N 1 0 266.433 2.109 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@H](O)c1cnccc1N ZINC000091573396 180196273 /nfs/dbraw/zinc/19/62/73/180196273.db2.gz DQNPETYIBCGXRP-KGLIPLIRSA-N 1 0 251.374 2.208 10 0 CEAERO CCc1cc(C[C@H](O)[C@](C)(CC)[NH+](CC)CC)n(C)n1 ZINC000091572958 180196532 /nfs/dbraw/zinc/19/65/32/180196532.db2.gz ROHQDDYMIJILRV-HOTGVXAUSA-N 1 0 281.444 2.396 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@@H](NC)c1cncnc1 ZINC000091599148 180202346 /nfs/dbraw/zinc/20/23/46/180202346.db2.gz KRKQXAZPEZYBNI-KBPBESRZSA-N 1 0 250.390 2.248 10 0 CEAERO CC[C@](C)([C@H](O)Cc1ncnn1C(C)C)[NH+]1CCCC1 ZINC000091602842 180203071 /nfs/dbraw/zinc/20/30/71/180203071.db2.gz DVDYEKGQJRYTQY-UKRRQHHQSA-N 1 0 280.416 2.027 10 0 CEAERO CC[C@](C)([C@@H](Cc1cccnc1N)[NH2+]C)N1CCCC1 ZINC000091606345 180203822 /nfs/dbraw/zinc/20/38/22/180203822.db2.gz FJLBMOWLXNOODC-GDBMZVCRSA-N 1 0 276.428 2.059 10 0 CEAERO CC[C@](C)([C@H](N)Cc1ncnn1C(C)C)[NH+]1CCCCC1 ZINC000091609538 180205656 /nfs/dbraw/zinc/20/56/56/180205656.db2.gz DSPKWGHGIBZJGK-GDBMZVCRSA-N 1 0 293.459 2.383 10 0 CEAERO CC[C@](C)([C@H]([NH3+])c1ccc(F)cc1F)N1CCOCC1 ZINC000091611630 180206136 /nfs/dbraw/zinc/20/61/36/180206136.db2.gz HDSHHBWUAWNVOQ-HUUCEWRRSA-N 1 0 284.350 2.466 10 0 CEAERO CC[C@](C)([C@@H]([NH3+])c1cc(F)ccc1F)N1CCOCC1 ZINC000091611588 180206454 /nfs/dbraw/zinc/20/64/54/180206454.db2.gz AZLZWSMYNZIUMA-LSDHHAIUSA-N 1 0 284.350 2.466 10 0 CEAERO CC[C@](C)([C@H](O)C1CCCCC1)[NH+]1CCOCC1 ZINC000091611254 180206850 /nfs/dbraw/zinc/20/68/50/180206850.db2.gz KEXHYQGTMOEXDX-HUUCEWRRSA-N 1 0 255.402 2.429 10 0 CEAERO CC[C@@](C)([C@H]([NH2+]C)c1ccccc1OC)N1CCOCC1 ZINC000091612277 180207039 /nfs/dbraw/zinc/20/70/39/180207039.db2.gz WKAWYGVVLNVOPA-SJORKVTESA-N 1 0 292.423 2.457 10 0 CEAERO CC[NH2+][C@@H](c1ccnn1CC)[C@@](C)(CC)N1CCOCC1 ZINC000091612788 180207194 /nfs/dbraw/zinc/20/71/94/180207194.db2.gz SJEDEGIJKMAENT-JKSUJKDBSA-N 1 0 294.443 2.055 10 0 CEAERO CC[NH2+][C@H](c1cnn(CC)c1)[C@@](C)(CC)N1CCOCC1 ZINC000091612998 180207325 /nfs/dbraw/zinc/20/73/25/180207325.db2.gz MEOWRJXSAPBRFI-HZPDHXFCSA-N 1 0 294.443 2.055 10 0 CEAERO CC[C@](C)([C@@H](Cc1cccc(F)c1)[NH2+]C)N1CCOCC1 ZINC000091612458 180207328 /nfs/dbraw/zinc/20/73/28/180207328.db2.gz RBANKWWDIRXBEM-IAGOWNOFSA-N 1 0 294.414 2.457 10 0 CEAERO CC[C@](C)([C@@H]([NH3+])c1cccc(F)c1F)N1CCOCC1 ZINC000091612108 180207441 /nfs/dbraw/zinc/20/74/41/180207441.db2.gz PFDJBJGCQGDJBM-LSDHHAIUSA-N 1 0 284.350 2.466 10 0 CEAERO CC[C@@](C)([C@@H](Cc1ccc(F)cc1)[NH2+]C)N1CCOCC1 ZINC000091612585 180207487 /nfs/dbraw/zinc/20/74/87/180207487.db2.gz XOSOURDMBKRWHO-SJORKVTESA-N 1 0 294.414 2.457 10 0 CEAERO CC[NH2+][C@@H](Cc1ccnc(N)c1)C(CC)(CC)N(C)C ZINC000091614655 180207728 /nfs/dbraw/zinc/20/77/28/180207728.db2.gz RFAGDUZQXXQJDF-AWEZNQCLSA-N 1 0 278.444 2.305 10 0 CEAERO CC(C)(C)[NH2+]CC[C@@](C)(O)c1cc(Cl)cnc1N ZINC000091506239 180176320 /nfs/dbraw/zinc/17/63/20/180176320.db2.gz CXMIKTFRYBUITN-CYBMUJFWSA-N 1 0 271.792 2.303 10 0 CEAERO COCC[NH2+]CC[C@](C)(O)c1ccccc1Cl ZINC000091519868 180178240 /nfs/dbraw/zinc/17/82/40/180178240.db2.gz PGDJSGZYFGYBOM-ZDUSSCGKSA-N 1 0 257.761 2.174 10 0 CEAERO Cc1ccc2oc(C(=O)NCC3CC([NH3+])C3)cc2c1 ZINC000091524472 180179061 /nfs/dbraw/zinc/17/90/61/180179061.db2.gz JPOMWPFTYMVYJS-UHFFFAOYSA-N 1 0 258.321 2.208 10 0 CEAERO COc1ccc(C[C@@H](N)C(C)(C)[NH+](C)C)cc1F ZINC000091528363 180179406 /nfs/dbraw/zinc/17/94/06/180179406.db2.gz WEYVIRWRJCCSBB-CYBMUJFWSA-N 1 0 254.349 2.044 10 0 CEAERO COc1ccc([C@H](O)C(C)(C)[NH+](C)C)c(OC)c1 ZINC000091528326 180179967 /nfs/dbraw/zinc/17/99/67/180179967.db2.gz SNZHEIKFGBWOJL-ZDUSSCGKSA-N 1 0 253.342 2.077 10 0 CEAERO C[NH2+][C@@H](Cc1cc(C)ccc1OC)C(C)(C)N(C)C ZINC000091528549 180180473 /nfs/dbraw/zinc/18/04/73/180180473.db2.gz MSCANVAXSKJOBI-HNNXBMFYSA-N 1 0 264.413 2.474 10 0 CEAERO CC[NH2+][C@@H](c1cc(Cl)cnc1N)C(C)(C)N(C)C ZINC000091528940 180180731 /nfs/dbraw/zinc/18/07/31/180180731.db2.gz XBKISWXLYZUZPX-NSHDSACASA-N 1 0 270.808 2.308 10 0 CEAERO C[NH2+][C@H](Cc1cc(F)ccc1F)C(C)(C)N(C)C ZINC000091528710 180180784 /nfs/dbraw/zinc/18/07/84/180180784.db2.gz ASFWCDAWWGOCNO-CYBMUJFWSA-N 1 0 256.340 2.436 10 0 CEAERO CC[NH+](CC)C(C)(C)[C@H](N)Cc1ccn(C(C)C)n1 ZINC000091530546 180180797 /nfs/dbraw/zinc/18/07/97/180180797.db2.gz SHIHAANCYYYRIS-CQSZACIVSA-N 1 0 266.433 2.454 10 0 CEAERO CC[NH+](CC)C(C)(C)[C@H](N)c1cc(C)cnc1N ZINC000091530336 180180904 /nfs/dbraw/zinc/18/09/04/180180904.db2.gz BGBLYWQIYBISLH-GFCCVEGCSA-N 1 0 250.390 2.092 10 0 CEAERO CCCn1cc([C@H](O)C(C)(C)[NH+](CC)CC)cn1 ZINC000091530152 180180910 /nfs/dbraw/zinc/18/09/10/180180910.db2.gz XJTJXBNGNJDLSY-ZDUSSCGKSA-N 1 0 253.390 2.447 10 0 CEAERO C[C@H](O)C[N@H+](C[C@H](O)COC(C)(C)C)C1CCCCC1 ZINC000104965008 186036089 /nfs/dbraw/zinc/03/60/89/186036089.db2.gz WAUCGLQWAYGAJW-ZFWWWQNUSA-N 1 0 287.444 2.178 10 0 CEAERO COc1c(C)cnc(C[C@H](N)C(C)(C)[NH+]2CCCC2)c1C ZINC000091533643 180181721 /nfs/dbraw/zinc/18/17/21/180181721.db2.gz KSYZVJRSQFLNKJ-HNNXBMFYSA-N 1 0 291.439 2.451 10 0 CEAERO COC(=O)c1ccc(Cl)cc1NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091541951 180183977 /nfs/dbraw/zinc/18/39/77/180183977.db2.gz QCXPBNBFRAVRIZ-WCBMZHEXSA-N 1 0 296.754 2.193 10 0 CEAERO [NH3+][C@H]1CC[C@H](C(=O)Nc2ccc(-c3c[nH]cn3)cc2)C1 ZINC000091543561 180185039 /nfs/dbraw/zinc/18/50/39/180185039.db2.gz KTBNEXRJRHHUCK-RYUDHWBXSA-N 1 0 270.336 2.143 10 0 CEAERO [NH3+][C@@H]1CC[C@H](C(=O)N(Cc2ccco2)CC(F)(F)F)C1 ZINC000091546301 180186967 /nfs/dbraw/zinc/18/69/67/180186967.db2.gz KSNCEBJHWMGFCJ-VHSXEESVSA-N 1 0 290.285 2.298 10 0 CEAERO C[C@@H](NC(=O)[C@H]1CC[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000091545982 180187055 /nfs/dbraw/zinc/18/70/55/180187055.db2.gz OGFLDGYPMVMHII-CDMKHQONSA-N 1 0 250.317 2.130 10 0 CEAERO CC(C)CCC[C@H](C)[NH2+][C@H]1CC(=O)N(C2CC2)C1=O ZINC000105028399 186038679 /nfs/dbraw/zinc/03/86/79/186038679.db2.gz ZVFNPQWFXUECFG-AAEUAGOBSA-N 1 0 266.385 2.081 10 0 CEAERO CCn1nc(C)c(N)c1NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000091549908 180188895 /nfs/dbraw/zinc/18/88/95/180188895.db2.gz PHZHVDMXSZTZHN-YHWZYXNKSA-N 1 0 277.416 2.221 10 0 CEAERO CCCn1ncnc1C[C@H](O)C(CC)(CC)[NH+]1CCCC1 ZINC000091634416 180210582 /nfs/dbraw/zinc/21/05/82/180210582.db2.gz KJHOXEGXUZLCPR-AWEZNQCLSA-N 1 0 294.443 2.246 10 0 CEAERO C[NH+](C)C1([C@H](N)c2ccc3c(c2)OCCO3)CCCC1 ZINC000091637288 180211073 /nfs/dbraw/zinc/21/10/73/180211073.db2.gz WMOSGZYMQVYRLB-OAHLLOKOSA-N 1 0 276.380 2.332 10 0 CEAERO CCC(CC)([C@H](NC)c1cncnc1)[NH+]1CCCC1 ZINC000091635084 180211672 /nfs/dbraw/zinc/21/16/72/180211672.db2.gz VOMVUADNOGSZJB-CQSZACIVSA-N 1 0 262.401 2.392 10 0 CEAERO CCCn1cc([C@H]([NH2+]C)C2(N(C)C)CCCC2)cn1 ZINC000091637805 180212329 /nfs/dbraw/zinc/21/23/29/180212329.db2.gz VXFFDEPTKJBCFN-AWEZNQCLSA-N 1 0 264.417 2.428 10 0 CEAERO CC[NH+](CC)C1([C@H](O)C2CCOCC2)CCCC1 ZINC000091638708 180212516 /nfs/dbraw/zinc/21/25/16/180212516.db2.gz OKOMDESUIDCVCJ-CQSZACIVSA-N 1 0 255.402 2.429 10 0 CEAERO CC[NH+](CC)C1([C@@H](O)c2cccnc2N)CCCC1 ZINC000091638855 180212526 /nfs/dbraw/zinc/21/25/26/180212526.db2.gz VTSLCHTZEKWMAG-ZDUSSCGKSA-N 1 0 263.385 2.352 10 0 CEAERO CCN(CC)C1([C@@H](Cc2cccnc2N)[NH2+]C)CCCC1 ZINC000091639495 180212610 /nfs/dbraw/zinc/21/26/10/180212610.db2.gz BUJWFEWQLGISNV-OAHLLOKOSA-N 1 0 290.455 2.449 10 0 CEAERO CN[C@@H](c1ccnn1C)C1([NH+]2CCCC2)CCCC1 ZINC000091640983 180213334 /nfs/dbraw/zinc/21/33/34/180213334.db2.gz KKIKLZVNKGVXEA-AWEZNQCLSA-N 1 0 262.401 2.089 10 0 CEAERO O[C@H](CCC1CC1)C1([NH+]2CCOCC2)CCCC1 ZINC000091642724 180214324 /nfs/dbraw/zinc/21/43/24/180214324.db2.gz OEUMDEMNCKHQDF-CQSZACIVSA-N 1 0 253.386 2.183 10 0 CEAERO [NH3+][C@H](CCC(F)(F)F)C1(N2CCOCC2)CCCC1 ZINC000091643087 180214356 /nfs/dbraw/zinc/21/43/56/180214356.db2.gz IJBGJRSEJNIUHM-LLVKDONJSA-N 1 0 280.334 2.301 10 0 CEAERO C[NH2+][C@H](Cc1cc(C)ccc1C)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721247 180239246 /nfs/dbraw/zinc/23/92/46/180239246.db2.gz UZYDKVROJORYRA-KZNAEPCWSA-N 1 0 288.435 2.297 10 0 CEAERO Cc1cc(CC(=O)[C@]2([NH+](C)C)CCC[C@@H](C)C2)n(C)n1 ZINC000091649661 180216464 /nfs/dbraw/zinc/21/64/64/180216464.db2.gz LMXBDPOMUPCLGY-WBMJQRKESA-N 1 0 277.412 2.351 10 0 CEAERO CN[C@H](c1cnccn1)C1([NH+](C)C)CCCCCC1 ZINC000091654417 180217388 /nfs/dbraw/zinc/21/73/88/180217388.db2.gz PYGDRKBCYROPII-CQSZACIVSA-N 1 0 262.401 2.392 10 0 CEAERO Cn1nccc1[C@@H](O)C1([NH+](C)C)CCCCCC1 ZINC000091654012 180217422 /nfs/dbraw/zinc/21/74/22/180217422.db2.gz ARVHKDNUNDBTJA-CYBMUJFWSA-N 1 0 251.374 2.108 10 0 CEAERO C[NH2+][C@@H](Cc1ccnc(N)c1)C1(N(C)C)CCCCCC1 ZINC000091654403 180217428 /nfs/dbraw/zinc/21/74/28/180217428.db2.gz MKDQFDDGLPDCLB-HNNXBMFYSA-N 1 0 290.455 2.449 10 0 CEAERO C[N@@H+]1CCC[C@@H](CNc2nc(Cl)ncc2F)C1 ZINC000091655514 180218020 /nfs/dbraw/zinc/21/80/20/180218020.db2.gz GUCMTENPFHNYJF-QMMMGPOBSA-N 1 0 258.728 2.023 10 0 CEAERO CN(C)Cc1noc(CC[C@H](CC[NH3+])C(C)(C)C)n1 ZINC000091685238 180226374 /nfs/dbraw/zinc/22/63/74/180226374.db2.gz MFSJBXLOFOKXGA-LLVKDONJSA-N 1 0 268.405 2.075 10 0 CEAERO CC[C@H](C)n1ccc(C[C@H](O)CC[NH+](CC)CC)n1 ZINC000091714335 180231635 /nfs/dbraw/zinc/23/16/35/180231635.db2.gz AIXLWGLQNRCCGQ-DZGCQCFKSA-N 1 0 267.417 2.489 10 0 CEAERO C[NH2+][C@H](c1cccc(C(F)(F)F)c1)[C@H]1CN(C)CCO1 ZINC000091717602 180231939 /nfs/dbraw/zinc/23/19/39/180231939.db2.gz GRLBTYBMSOYTPU-CHWSQXEVSA-N 1 0 288.313 2.297 10 0 CEAERO C[NH2+][C@H](c1ccc(C(C)C)cc1)[C@@H]1CN(C)CCO1 ZINC000091717731 180232514 /nfs/dbraw/zinc/23/25/14/180232514.db2.gz HXCBFCXERNBILJ-JKSUJKDBSA-N 1 0 262.397 2.401 10 0 CEAERO CCN[C@@H](CC[NH+](CC)CC)c1ccnn1CC ZINC000091716394 180232836 /nfs/dbraw/zinc/23/28/36/180232836.db2.gz MPCDXFSBLXDMTM-ZDUSSCGKSA-N 1 0 252.406 2.286 10 0 CEAERO CC[NH2+][C@H](c1ccc(F)c(C)c1)[C@@H]1CN(C)CCO1 ZINC000091718291 180233275 /nfs/dbraw/zinc/23/32/75/180233275.db2.gz SQUCSIIAUMCTJW-LSDHHAIUSA-N 1 0 266.360 2.115 10 0 CEAERO CCC[NH2+][C@@H](c1ccc(F)cc1F)[C@H]1CN(C)CCO1 ZINC000091718984 180233385 /nfs/dbraw/zinc/23/33/85/180233385.db2.gz PZNGWMKODIIVAU-CABCVRRESA-N 1 0 284.350 2.336 10 0 CEAERO CC[NH2+][C@@H](c1ccc(C)c(C)c1)[C@H]1CN(C)CCO1 ZINC000091718700 180233694 /nfs/dbraw/zinc/23/36/94/180233694.db2.gz LQTOVMGJAJBKDF-CVEARBPZSA-N 1 0 262.397 2.285 10 0 CEAERO CC[NH2+][C@H](c1ccc(C)s1)[C@@H]1CN(C)CCO1 ZINC000091718895 180233787 /nfs/dbraw/zinc/23/37/87/180233787.db2.gz PJEOQDDGSMMELV-AAEUAGOBSA-N 1 0 254.399 2.038 10 0 CEAERO CC[NH2+][C@H](Cc1c(C)cc(C)cc1C)[C@@H]1CN(C)CCO1 ZINC000091718615 180233811 /nfs/dbraw/zinc/23/38/11/180233811.db2.gz NXYHHANDICAVJQ-MSOLQXFVSA-N 1 0 290.451 2.463 10 0 CEAERO CCC[NH2+][C@@H](c1cccc(OC)c1)[C@@H]1CN(C)CCO1 ZINC000091719042 180234058 /nfs/dbraw/zinc/23/40/58/180234058.db2.gz AEPSWFDWUPSTAK-HOTGVXAUSA-N 1 0 278.396 2.067 10 0 CEAERO CCC[NH2+][C@@H](c1cccc(F)c1F)[C@H]1CN(C)CCO1 ZINC000091719460 180234297 /nfs/dbraw/zinc/23/42/97/180234297.db2.gz BXRLRDCZTCHWKL-HIFRSBDPSA-N 1 0 284.350 2.336 10 0 CEAERO [NH3+][C@H](c1cccc(Cl)c1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091720524 180236032 /nfs/dbraw/zinc/23/60/32/180236032.db2.gz WYRGCTZFBUCEOH-MGPQQGTHSA-N 1 0 266.772 2.203 10 0 CEAERO Cc1cc([C@H](C)[NH2+][C@@H]2CCOC[C@@H]2O)c(C)s1 ZINC000624235361 350238575 /nfs/dbraw/zinc/23/85/75/350238575.db2.gz JEBRIBYIBRPSQI-BIMULSAOSA-N 1 0 255.383 2.165 10 0 CEAERO CCc1ccc([C@H](C)[NH2+][C@@H]2CCOC[C@@H]2O)s1 ZINC000624235458 350239766 /nfs/dbraw/zinc/23/97/66/350239766.db2.gz KJGLCQHCDNEXGO-WCQGTBRESA-N 1 0 255.383 2.111 10 0 CEAERO CC[NH2+][C@H](Cc1cccc(C)c1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721791 180237495 /nfs/dbraw/zinc/23/74/95/180237495.db2.gz UCKCNICXGFWCRB-KZNAEPCWSA-N 1 0 288.435 2.379 10 0 CEAERO Cc1cccc(CC[C@H](C)[NH2+][C@H]2CCOC[C@@H]2O)c1 ZINC000624236669 350240538 /nfs/dbraw/zinc/24/05/38/350240538.db2.gz HRPKKSWSAGNQRL-BPUTZDHNSA-N 1 0 263.381 2.056 10 0 CEAERO C[NH2+][C@H](Cc1ccc(Cl)cc1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721141 180237902 /nfs/dbraw/zinc/23/79/02/180237902.db2.gz DDTCZCSDLFUXQO-OAGGEKHMSA-N 1 0 294.826 2.334 10 0 CEAERO CC[NH2+][C@H](Cc1cccc(C)c1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721789 180238002 /nfs/dbraw/zinc/23/80/02/180238002.db2.gz UCKCNICXGFWCRB-KURKYZTESA-N 1 0 288.435 2.379 10 0 CEAERO CCc1ccc(C(=O)N(CC)[C@H]2CCC[NH2+]C2)o1 ZINC000091759728 180247783 /nfs/dbraw/zinc/24/77/83/180247783.db2.gz UXCBCWRCBXAOBF-NSHDSACASA-N 1 0 250.342 2.056 10 0 CEAERO CCc1ccc(C(=O)N[C@@H](C[NH3+])c2ccccc2)o1 ZINC000091777290 180251882 /nfs/dbraw/zinc/25/18/82/180251882.db2.gz QENYVYHPSFTESV-ZDUSSCGKSA-N 1 0 258.321 2.272 10 0 CEAERO COC(=O)c1ccc([C@@H](C)N(C)C[C@@H]2CC[N@H+](C)C2)o1 ZINC000091782529 180254609 /nfs/dbraw/zinc/25/46/09/180254609.db2.gz MIZFWIPRESLSSS-VXGBXAGGSA-N 1 0 280.368 2.011 10 0 CEAERO Cc1ccc(C)n1NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000091795708 180257958 /nfs/dbraw/zinc/25/79/58/180257958.db2.gz QRDWPEXQQCYDQL-AWEZNQCLSA-N 1 0 257.337 2.265 10 0 CEAERO C[NH2+][C@H](C)c1cccn1Cc1ncnn1CC(C)C ZINC000091800824 180258763 /nfs/dbraw/zinc/25/87/63/180258763.db2.gz XINZXPKQRVJLPL-GFCCVEGCSA-N 1 0 261.373 2.064 10 0 CEAERO CCCC[C@H]([NH2+]CCC)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091722050 180239928 /nfs/dbraw/zinc/23/99/28/180239928.db2.gz YGRULGGKSGPSPA-QLFBSQMISA-N 1 0 254.418 2.408 10 0 CEAERO CCC[NH2+][C@H](C)c1cnc([C@@H]2CN(C)CCO2)s1 ZINC000091722507 180240022 /nfs/dbraw/zinc/24/00/22/180240022.db2.gz XGVIMDMKEWGOSM-MNOVXSKESA-N 1 0 269.414 2.207 10 0 CEAERO CC(C)[NH2+]Cc1cnc([C@@H]2CN3CCC[C@@H]3CO2)s1 ZINC000091722442 180240700 /nfs/dbraw/zinc/24/07/00/180240700.db2.gz RBHHFVIWYHTFBF-YPMHNXCESA-N 1 0 281.425 2.177 10 0 CEAERO Cc1nc(CN(C)C)nc(C)c1[C@H](C)C[NH2+]C(C)C ZINC000091723773 180242321 /nfs/dbraw/zinc/24/23/21/180242321.db2.gz ZSENBBAGAUZZID-LLVKDONJSA-N 1 0 264.417 2.257 10 0 CEAERO Cc1noc(CC[NH2+]Cc2cccc(OC(C)C)c2)n1 ZINC000105469460 186058699 /nfs/dbraw/zinc/05/86/99/186058699.db2.gz VDZHJNKNJNYDJM-UHFFFAOYSA-N 1 0 275.352 2.498 10 0 CEAERO CN1CCO[C@H](C[NH2+]Cc2cccc(Cl)c2Cl)C1 ZINC000105472003 186059127 /nfs/dbraw/zinc/05/91/27/186059127.db2.gz SJEXTRSQOAWZCV-LLVKDONJSA-N 1 0 289.206 2.414 10 0 CEAERO CCOc1cccc(C[NH2+]CCc2nc(C)no2)c1 ZINC000105469400 186059406 /nfs/dbraw/zinc/05/94/06/186059406.db2.gz GHLYKFOEKWAFNV-UHFFFAOYSA-N 1 0 261.325 2.109 10 0 CEAERO CN1CCO[C@@H](C[NH2+]Cc2ccc(Cl)c(Cl)c2)C1 ZINC000105472159 186059439 /nfs/dbraw/zinc/05/94/39/186059439.db2.gz LWKFSQSEFMIHNY-NSHDSACASA-N 1 0 289.206 2.414 10 0 CEAERO C/C(=C\c1ccccc1)C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000105470955 186059794 /nfs/dbraw/zinc/05/97/94/186059794.db2.gz BLSPXSPUVOTRRH-HFQYIWAZSA-N 1 0 260.381 2.010 10 0 CEAERO CCC[NH2+][C@H](CC)[C@@H](C)c1nc(CN(C)C)no1 ZINC000091747688 180245133 /nfs/dbraw/zinc/24/51/33/180245133.db2.gz USZZYDKWSYJDKY-GHMZBOCLSA-N 1 0 254.378 2.013 10 0 CEAERO CCN(C(=O)c1ccoc1C)C1CCC([NH3+])CC1 ZINC000091850310 180272541 /nfs/dbraw/zinc/27/25/41/180272541.db2.gz QZVFJOKRCSKBQB-UHFFFAOYSA-N 1 0 250.342 2.320 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)Cc2ccc(OC)cc2)CC1 ZINC000091854448 180274509 /nfs/dbraw/zinc/27/45/09/180274509.db2.gz LYRBOXJMUSLFFF-UHFFFAOYSA-N 1 0 290.407 2.227 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)CCc2ccco2)CC1 ZINC000091854493 180274635 /nfs/dbraw/zinc/27/46/35/180274635.db2.gz LGPXBLSWCWCXKX-UHFFFAOYSA-N 1 0 264.369 2.201 10 0 CEAERO CC[C@@H]([NH2+]C)c1ccn(CCCC(=O)N(C)C)c1 ZINC000091817016 180262876 /nfs/dbraw/zinc/26/28/76/180262876.db2.gz XXZJEXKBPVYMBK-CYBMUJFWSA-N 1 0 251.374 2.027 10 0 CEAERO CC[NH2+][C@@H](CC)c1ccn(CC(=O)N(C)C(C)C)c1 ZINC000091817275 180262905 /nfs/dbraw/zinc/26/29/05/180262905.db2.gz SKPFDAXQGHABRX-AWEZNQCLSA-N 1 0 265.401 2.416 10 0 CEAERO CC[NH2+][C@@H](CC)c1ccn(CC(=O)NC(C)(C)C)c1 ZINC000091817315 180263425 /nfs/dbraw/zinc/26/34/25/180263425.db2.gz YAAYDULKKWQWPC-ZDUSSCGKSA-N 1 0 265.401 2.463 10 0 CEAERO CCC[NH2+][C@H](CCC)c1ccn(CCC(=O)NC)c1 ZINC000091823578 180263753 /nfs/dbraw/zinc/26/37/53/180263753.db2.gz FKQIPDSHJPFVJU-CQSZACIVSA-N 1 0 265.401 2.465 10 0 CEAERO NC(=O)c1cc2ccccc2nc1NC1CCC([NH3+])CC1 ZINC000091843542 180269131 /nfs/dbraw/zinc/26/91/31/180269131.db2.gz LECNBOUTNIBRHU-UHFFFAOYSA-N 1 0 284.363 2.016 10 0 CEAERO CCN(C(=O)c1ccc(O)cc1)C1CCC([NH3+])CC1 ZINC000091850334 180272229 /nfs/dbraw/zinc/27/22/29/180272229.db2.gz GHZGEIUBVXJECR-UHFFFAOYSA-N 1 0 262.353 2.124 10 0 CEAERO CC[C@@H]1CCC[C@@](C[NH3+])(C2(O)CCC(=O)CC2)C1 ZINC000091924611 180287585 /nfs/dbraw/zinc/28/75/85/180287585.db2.gz GTAALNJZFYAZLA-TZMCWYRMSA-N 1 0 253.386 2.406 10 0 CEAERO COC(OC)[C@@](C)(O)C1(C[NH3+])CCC(C(C)C)CC1 ZINC000091925865 180287683 /nfs/dbraw/zinc/28/76/83/180287683.db2.gz FWWQMCPKLHOYSC-HNFVBEJKSA-N 1 0 273.417 2.148 10 0 CEAERO COCC[NH2+]Cc1ncoc1-c1ccc2c(c1)CCO2 ZINC000091959713 180292055 /nfs/dbraw/zinc/29/20/55/180292055.db2.gz ZWRIOMWXMJMWCI-UHFFFAOYSA-N 1 0 274.320 2.013 10 0 CEAERO CCN(CC)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000091962084 180293294 /nfs/dbraw/zinc/29/32/94/180293294.db2.gz ZNGKSOAGLKPKKE-OLZOCXBDSA-N 1 0 253.390 2.055 10 0 CEAERO C[C@H](NC(=O)N1CCCCC1)c1ccc(C[NH3+])cc1 ZINC000091969051 180294478 /nfs/dbraw/zinc/29/44/78/180294478.db2.gz NEVFGUNEUSJENL-LBPRGKRZSA-N 1 0 261.369 2.402 10 0 CEAERO [NH3+]C[C@H](NC(=O)N1CCCCC1)C1CCCCC1 ZINC000091969085 180294593 /nfs/dbraw/zinc/29/45/93/180294593.db2.gz GJTCTSWXFHCWLM-ZDUSSCGKSA-N 1 0 253.390 2.090 10 0 CEAERO C[NH2+]C1CCC(N(C)S(=O)(=O)C2CCCCC2)CC1 ZINC000091869964 180277528 /nfs/dbraw/zinc/27/75/28/180277528.db2.gz LDRKMXGPZODWSL-UHFFFAOYSA-N 1 0 288.457 2.111 10 0 CEAERO CCCN(C(=O)N1CCCCC1)[C@@](C)(CC)C[NH3+] ZINC000091969115 180294658 /nfs/dbraw/zinc/29/46/58/180294658.db2.gz DJYUCRUSKWIBHE-AWEZNQCLSA-N 1 0 255.406 2.432 10 0 CEAERO CCOc1ncnc(N(C)C2CCC([NH2+]C)CC2)c1C ZINC000091873713 180278602 /nfs/dbraw/zinc/27/86/02/180278602.db2.gz RAHGGXWNUBCYJS-UHFFFAOYSA-N 1 0 278.400 2.151 10 0 CEAERO O=C(N1CCCCC1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000091969432 180294688 /nfs/dbraw/zinc/29/46/88/180294688.db2.gz MSJYPBIIBBVBNY-UONOGXRCSA-N 1 0 265.401 2.056 10 0 CEAERO [NH3+]CC1([C@H](O)c2ccc(Cl)cc2)CCOCC1 ZINC000091909926 180284823 /nfs/dbraw/zinc/28/48/23/180284823.db2.gz XMPFESDMRHFOIG-GFCCVEGCSA-N 1 0 255.745 2.129 10 0 CEAERO COc1cccc(N(CCC[NH3+])C(=O)N2CCCCC2)c1 ZINC000091969019 180294765 /nfs/dbraw/zinc/29/47/65/180294765.db2.gz PUQFADQGHXHQQG-UHFFFAOYSA-N 1 0 291.395 2.456 10 0 CEAERO CSCC[C@@H](O)[C@@]1(C[NH3+])CCc2ccccc2C1 ZINC000091917477 180285724 /nfs/dbraw/zinc/28/57/24/180285724.db2.gz PFTOHHJDXBOGTH-CABCVRRESA-N 1 0 265.422 2.234 10 0 CEAERO CC[C@H]1CC[C@@](C[NH3+])(C2(O)CCC3(CC2)OCCO3)C1 ZINC000091924478 180287245 /nfs/dbraw/zinc/28/72/45/180287245.db2.gz XISKBUKVBGOENT-UONOGXRCSA-N 1 0 283.412 2.190 10 0 CEAERO CCCC1CCC(C[NH3+])(OC[C@@H]2CN(CC)CCO2)CC1 ZINC000092050592 180312042 /nfs/dbraw/zinc/31/20/42/180312042.db2.gz FQLKIPHEXSATGU-CGZBRXJRSA-N 1 0 298.471 2.412 10 0 CEAERO CCCN(C(=O)N1CCOCC1)[C@@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000091970135 180295244 /nfs/dbraw/zinc/29/52/44/180295244.db2.gz UUKXQASGSHLGIH-ZBFHGGJFSA-N 1 0 297.443 2.058 10 0 CEAERO C[C@@H]1CCC[C@](C[NH3+])(NC(=O)N2CCCCCC2)C1 ZINC000091971953 180295414 /nfs/dbraw/zinc/29/54/14/180295414.db2.gz DOKPPIXGGALXJI-HIFRSBDPSA-N 1 0 267.417 2.480 10 0 CEAERO CCN(C(=O)N1CCCCCC1)[C@H]1CCC[C@@H]1C[NH3+] ZINC000091971706 180295660 /nfs/dbraw/zinc/29/56/60/180295660.db2.gz CFMLUWWNMWVYIL-KGLIPLIRSA-N 1 0 267.417 2.432 10 0 CEAERO C[C@@H]1CCCN(C(=O)NC2(C[NH3+])CCCCCC2)C1 ZINC000091972823 180296260 /nfs/dbraw/zinc/29/62/60/180296260.db2.gz DHCAFUXGHUNEPG-CYBMUJFWSA-N 1 0 267.417 2.480 10 0 CEAERO C[C@H]1CCCN(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000091990555 180299906 /nfs/dbraw/zinc/29/99/06/180299906.db2.gz WNBMUOOZWQZHAH-STQMWFEESA-N 1 0 265.401 2.103 10 0 CEAERO C[C@@H]1CCCN(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000091990554 180300040 /nfs/dbraw/zinc/30/00/40/180300040.db2.gz WNBMUOOZWQZHAH-OLZOCXBDSA-N 1 0 265.401 2.103 10 0 CEAERO C[C@@H]1CCCN(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)C1 ZINC000091990728 180300110 /nfs/dbraw/zinc/30/01/10/180300110.db2.gz IOGOUBTZKPRIPA-KFWWJZLASA-N 1 0 279.428 2.302 10 0 CEAERO C[NH2+]Cc1nc(C)ccc1OCc1cn2ccccc2n1 ZINC000091994530 180300808 /nfs/dbraw/zinc/30/08/08/180300808.db2.gz MMUYSEZFEHADMX-UHFFFAOYSA-N 1 0 282.347 2.336 10 0 CEAERO Cc1ccc(OCC(C)(C)O)c(C[NH2+]C(C)(C)C)n1 ZINC000091996203 180302074 /nfs/dbraw/zinc/30/20/74/180302074.db2.gz ORICGISQYPKFED-UHFFFAOYSA-N 1 0 266.385 2.428 10 0 CEAERO COC(=O)[C@@H](C)Oc1ccc(C)nc1C[NH2+]CC(C)C ZINC000091996433 180302421 /nfs/dbraw/zinc/30/24/21/180302421.db2.gz IWHGJLIALNHJQM-GFCCVEGCSA-N 1 0 280.368 2.076 10 0 CEAERO Cc1cc(COc2ccc(C)nc2C[C@@H](C)[NH3+])no1 ZINC000092000276 180303973 /nfs/dbraw/zinc/30/39/73/180303973.db2.gz UVVYDRDYYCLNQW-SECBINFHSA-N 1 0 261.325 2.155 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)N[C@@H](C)Cc1cccc(Cl)c1 ZINC000092133331 180331294 /nfs/dbraw/zinc/33/12/94/180331294.db2.gz DYZTWCRKRHORIU-MNOVXSKESA-N 1 0 268.788 2.243 10 0 CEAERO CC[C@@H](C)n1ccc(C[C@H]([NH2+]C)C(C)(C)OC)n1 ZINC000092138862 180333690 /nfs/dbraw/zinc/33/36/90/180333690.db2.gz DXQMTSPKPPJCQQ-YPMHNXCESA-N 1 0 253.390 2.410 10 0 CEAERO C[NH2+][C@@H]1CCCC[C@@H]1c1nc(C(C)(C)OC)no1 ZINC000092141292 180333782 /nfs/dbraw/zinc/33/37/82/180333782.db2.gz XFXTWWYWKYFIQO-VHSXEESVSA-N 1 0 253.346 2.197 10 0 CEAERO COc1cc(N)ccc1NC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000092080655 180318412 /nfs/dbraw/zinc/31/84/12/180318412.db2.gz SRULROHKRCJOOG-TUAOUCFPSA-N 1 0 291.395 2.192 10 0 CEAERO C[C@H]1C[NH+](CC(=O)Nc2cc(Cl)ccc2N)C[C@@H]1C ZINC000092080688 180318710 /nfs/dbraw/zinc/31/87/10/180318710.db2.gz SIIAGYKEASNWEQ-UWVGGRQHSA-N 1 0 281.787 2.449 10 0 CEAERO C[C@H]1C[N@H+](Cc2cc(N)cc3c2OCOC3)C[C@H]1C ZINC000092081188 180319431 /nfs/dbraw/zinc/31/94/31/180319431.db2.gz ACWBHPBSDPSZPQ-PHIMTYICSA-N 1 0 262.353 2.223 10 0 CEAERO CCC[NH2+]Cc1c(C)nn(C)c1N1C[C@@H](C)[C@H](C)C1 ZINC000092086764 180320321 /nfs/dbraw/zinc/32/03/21/180320321.db2.gz UIPXEYFCWDNXIN-VXGBXAGGSA-N 1 0 264.417 2.320 10 0 CEAERO COc1ccc([C@@H](O)C[N@@H+]2C[C@H](C)[C@H](C)C2)c(OC)c1 ZINC000092087184 180321180 /nfs/dbraw/zinc/32/11/80/180321180.db2.gz WOBJGLTXIORMTN-ZOWXZIJZSA-N 1 0 279.380 2.325 10 0 CEAERO COc1ccc2nc(NC(=O)[C@H]3C=C[C@@H]([NH3+])C3)sc2c1 ZINC000092201431 180342916 /nfs/dbraw/zinc/34/29/16/180342916.db2.gz CEPPRDINALMLDU-DTWKUNHWSA-N 1 0 289.360 2.147 10 0 CEAERO Cc1cc([C@H](C)NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)c(C)s1 ZINC000092202229 180343048 /nfs/dbraw/zinc/34/30/48/180343048.db2.gz QNVPSRKJFCAZFS-MVWJERBFSA-N 1 0 264.394 2.446 10 0 CEAERO CC(C)[C@H]1CN(C[C@@H]2COc3ccccc32)CC[NH2+]1 ZINC000092307222 180360117 /nfs/dbraw/zinc/36/01/17/180360117.db2.gz BDDAECQSUCONKY-UKRRQHHQSA-N 1 0 260.381 2.092 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)NCc2ccc(C(F)(F)F)cc2)C1 ZINC000092207425 180344134 /nfs/dbraw/zinc/34/41/34/180344134.db2.gz LVPWIGMJHXRTHD-CMPLNLGQSA-N 1 0 284.281 2.225 10 0 CEAERO COc1ccc(Cl)c(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)c1 ZINC000092207032 180344261 /nfs/dbraw/zinc/34/42/61/180344261.db2.gz DYKSPUORQLFXDI-BDAKNGLRSA-N 1 0 266.728 2.191 10 0 CEAERO Cc1ccc(CN(C(=O)[C@H]2C=C[C@H]([NH3+])C2)C(C)C)o1 ZINC000092205297 180344295 /nfs/dbraw/zinc/34/42/95/180344295.db2.gz GLSIGIURJYJBQL-STQMWFEESA-N 1 0 262.353 2.228 10 0 CEAERO CC[C@H](C)[C@H]1C[NH2+]CCN1C[C@@H]1COc2ccccc21 ZINC000092307272 180360212 /nfs/dbraw/zinc/36/02/12/180360212.db2.gz PGUIFFLWCRVHND-SQWLQELKSA-N 1 0 274.408 2.483 10 0 CEAERO C[C@@H](CN1CCOCC1)[NH2+]C[C@H]1Cc2ccccc2S1 ZINC000092243295 180351591 /nfs/dbraw/zinc/35/15/91/180351591.db2.gz OBICJRLTQIWJQA-DZGCQCFKSA-N 1 0 292.448 2.014 10 0 CEAERO C[C@H]([NH2+]C[C@H]1CSc2ccccc21)c1nncn1C ZINC000092275376 180356443 /nfs/dbraw/zinc/35/64/43/180356443.db2.gz SFVCGDGSYPTHFP-QWRGUYRKSA-N 1 0 274.393 2.355 10 0 CEAERO Fc1cccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1F ZINC000105883742 186082637 /nfs/dbraw/zinc/08/26/37/186082637.db2.gz OHJSIRAQSJVXHV-GFCCVEGCSA-N 1 0 292.333 2.469 10 0 CEAERO [NH3+]Cc1ccc2c(c1)nc(CCCCO)n2C1CC1 ZINC000092171457 180336654 /nfs/dbraw/zinc/33/66/54/180336654.db2.gz ITSVTCRCDPIVQD-UHFFFAOYSA-N 1 0 259.353 2.145 10 0 CEAERO COCCC[NH+]1CCN(c2nc3cc(C)ccc3o2)CC1 ZINC000105818792 186073812 /nfs/dbraw/zinc/07/38/12/186073812.db2.gz UOMKXPCMAGJMQA-UHFFFAOYSA-N 1 0 289.379 2.295 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C)CN1C[C@@H]1COc2ccccc21 ZINC000092307277 180360612 /nfs/dbraw/zinc/36/06/12/180360612.db2.gz DISPXXDJKFJSBD-BFHYXJOUSA-N 1 0 260.381 2.235 10 0 CEAERO [NH3+][C@H]1C=C[C@H](c2nc(Cc3ccc(F)cc3F)no2)C1 ZINC000092181946 180338965 /nfs/dbraw/zinc/33/89/65/180338965.db2.gz URMPRNKQKZVJIL-ONGXEEELSA-N 1 0 277.274 2.309 10 0 CEAERO Cl/C=C/C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105910206 186088795 /nfs/dbraw/zinc/08/87/95/186088795.db2.gz JEAKGQZABMIVIU-QHHAFSJGSA-N 1 0 252.749 2.105 10 0 CEAERO Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC[NH3+] ZINC000092319604 180361982 /nfs/dbraw/zinc/36/19/82/180361982.db2.gz YGGWBENOFCZHIP-UHFFFAOYSA-N 1 0 284.285 2.404 10 0 CEAERO Cc1cc(C)n(C[C@H]2C[N@H+](CCCOC(C)C)CCO2)n1 ZINC000105921533 186091590 /nfs/dbraw/zinc/09/15/90/186091590.db2.gz QMVZMPFVXCEZEE-MRXNPFEDSA-N 1 0 295.427 2.016 10 0 CEAERO COc1ccccc1-n1nc(C)c(CCC[NH3+])c1C ZINC000092323065 180362489 /nfs/dbraw/zinc/36/24/89/180362489.db2.gz KGISJTWTZLCPCN-UHFFFAOYSA-N 1 0 259.353 2.389 10 0 CEAERO CC[C@@]1(C)C[C@@H]([NH2+]Cc2c(C)nn(C)c2C)CCO1 ZINC000092325802 180362710 /nfs/dbraw/zinc/36/27/10/180362710.db2.gz GASOYCKLDJPNAI-ZFWWWQNUSA-N 1 0 265.401 2.474 10 0 CEAERO C[C@H](NC(=O)CSC(N)=[NH2+])c1ccccc1Cl ZINC000106094764 186101370 /nfs/dbraw/zinc/10/13/70/186101370.db2.gz GGUGQIZREXZBMA-ZETCQYMHSA-N 1 0 271.773 2.144 10 0 CEAERO CCOCC[N@@H+]1CCN(Cc2cccc(F)c2)C[C@@H]1C ZINC000106112304 186102567 /nfs/dbraw/zinc/10/25/67/186102567.db2.gz SGBOUSQOUPHQCN-AWEZNQCLSA-N 1 0 280.387 2.368 10 0 CEAERO Cc1cc(NC(=O)c2ccccc2CC[NH3+])ccn1 ZINC000092349830 180367506 /nfs/dbraw/zinc/36/75/06/180367506.db2.gz YUOXDCGVCMQEFH-UHFFFAOYSA-N 1 0 255.321 2.144 10 0 CEAERO CCNc1ccc(S(=O)(=O)Nc2cc[nH+]c(C)c2)cn1 ZINC000092366122 180369236 /nfs/dbraw/zinc/36/92/36/180369236.db2.gz GVZJEVYMLNREQA-UHFFFAOYSA-N 1 0 292.364 2.018 10 0 CEAERO O=C(COc1ccc(Cl)cc1)NCC[C@H]1CCC[NH2+]C1 ZINC000106365986 186110825 /nfs/dbraw/zinc/11/08/25/186110825.db2.gz IBRWPJBNEMIXEK-GFCCVEGCSA-N 1 0 296.798 2.225 10 0 CEAERO CCCNc1cccc(C[N@H+](CC)CCOC)n1 ZINC000092369439 180369826 /nfs/dbraw/zinc/36/98/26/180369826.db2.gz GWLBCCPYEQDGCY-UHFFFAOYSA-N 1 0 251.374 2.372 10 0 CEAERO CCNc1cccc(CN2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000092371274 180369915 /nfs/dbraw/zinc/36/99/15/180369915.db2.gz NKRYZSQYNZVFBS-CQSZACIVSA-N 1 0 262.401 2.039 10 0 CEAERO CCNc1cccc(C[N@H+](CC)[C@H](C)COC)n1 ZINC000092368747 180370374 /nfs/dbraw/zinc/37/03/74/180370374.db2.gz IQDYNJKEMRJPKN-GFCCVEGCSA-N 1 0 251.374 2.370 10 0 CEAERO Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H]2CN(C)CCO2)c1 ZINC000106388086 186112714 /nfs/dbraw/zinc/11/27/14/186112714.db2.gz RHGUNGFEQKEULV-LSDHHAIUSA-N 1 0 262.397 2.285 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@H](SC[C@H](C)CO)CC2 ZINC000092390188 180375548 /nfs/dbraw/zinc/37/55/48/180375548.db2.gz YHPXBUQBSNCLAH-KMUNFCNLSA-N 1 0 281.421 2.371 10 0 CEAERO CC(C)[C@@H](CO)[NH2+]C[C@@H]1CSc2ccccc21 ZINC000092395062 180376731 /nfs/dbraw/zinc/37/67/31/180376731.db2.gz SCGNYSKTZSDESH-DGCLKSJQSA-N 1 0 251.395 2.482 10 0 CEAERO Cc1cnc(CNC2=[NH+][C@@H](C(C)C)CS2)cn1 ZINC000092402627 180378333 /nfs/dbraw/zinc/37/83/33/180378333.db2.gz LEVQWZPTNHYBED-LLVKDONJSA-N 1 0 250.371 2.002 10 0 CEAERO CCc1nn(C)cc1C[NH2+][C@H]1CCCC[C@H]1OC ZINC000092409423 180379861 /nfs/dbraw/zinc/37/98/61/180379861.db2.gz REAXXQAOPIOVEF-UONOGXRCSA-N 1 0 251.374 2.030 10 0 CEAERO CNc1cc[nH+]c(Cn2c3ccccc3nc(C)c2=O)c1 ZINC000092419757 180382522 /nfs/dbraw/zinc/38/25/22/180382522.db2.gz KIBCPNIZUXKVLC-UHFFFAOYSA-N 1 0 280.331 2.190 10 0 CEAERO CNc1cc[nH+]c(Cn2cc(C(F)(F)F)cn2)c1 ZINC000092419862 180382692 /nfs/dbraw/zinc/38/26/92/180382692.db2.gz BOEHKSTUSXQCPU-UHFFFAOYSA-N 1 0 256.231 2.387 10 0 CEAERO CCCC[C@H](C)[NH2+][C@H]1CC(=O)N(C(CC)CC)C1=O ZINC000106785130 186135562 /nfs/dbraw/zinc/13/55/62/186135562.db2.gz CGKKKVGSWKSQDM-AAEUAGOBSA-N 1 0 268.401 2.471 10 0 CEAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@H](n1cc(C)cn1)CC2 ZINC000092386110 180373395 /nfs/dbraw/zinc/37/33/95/180373395.db2.gz PSHXFHYYYSUBAG-HUUCEWRRSA-N 1 0 257.337 2.387 10 0 CEAERO CCOCCO[C@@H]1CCc2ccc(OC)cc2[C@@H]1[NH2+]C ZINC000092386385 180373470 /nfs/dbraw/zinc/37/34/70/180373470.db2.gz AZVXEAARFGCLPV-CVEARBPZSA-N 1 0 279.380 2.324 10 0 CEAERO COc1ccc2c(c1)[C@H](N)[C@H]([N@@H+]1CC[C@@H](C)C1)CC2 ZINC000092385663 180373597 /nfs/dbraw/zinc/37/35/97/180373597.db2.gz RVHHOOMEPRWWPR-LYRGGWFBSA-N 1 0 260.381 2.352 10 0 CEAERO COc1ccc2c(c1)[C@](C[NH3+])(NCC(F)(F)F)CCC2 ZINC000092384849 180373915 /nfs/dbraw/zinc/37/39/15/180373915.db2.gz CRKBLLBJZVDDRA-ZDUSSCGKSA-N 1 0 288.313 2.337 10 0 CEAERO CC[C@H]([NH2+][C@@H]1CC(=O)N(C(C)C)C1=O)C1CCCCC1 ZINC000107290485 186166887 /nfs/dbraw/zinc/16/68/87/186166887.db2.gz BRVAODHKQDGTCK-UONOGXRCSA-N 1 0 280.412 2.471 10 0 CEAERO Cc1cccc(CN2C[C@H](C3CC3)[NH2+]C[C@@H]2C2CC2)n1 ZINC000092433739 180384298 /nfs/dbraw/zinc/38/42/98/180384298.db2.gz KJVXKHGZZZLFCD-IAGOWNOFSA-N 1 0 271.408 2.352 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)C[C@H]1CCCOC1 ZINC000107835486 186194198 /nfs/dbraw/zinc/19/41/98/186194198.db2.gz DNEBPAJSTRXUCD-HUUCEWRRSA-N 1 0 299.459 2.031 10 0 CEAERO Cc1cccc(OCC[N@H+]2[C@@H]3CC[C@H]2CC(O)C3)c1 ZINC000107926153 186198671 /nfs/dbraw/zinc/19/86/71/186198671.db2.gz IAUJAUGLZUTFMJ-YIONKMFJSA-N 1 0 261.365 2.362 10 0 CEAERO CCC[NH+]1CCC(n2c(N)nc3cnccc32)CC1 ZINC000092513843 180399951 /nfs/dbraw/zinc/39/99/51/180399951.db2.gz MBCCPGVCEVTILL-UHFFFAOYSA-N 1 0 259.357 2.060 10 0 CEAERO CCCN1C(=O)C[C@@H]([NH2+][C@@H]2CCCc3sccc32)C1=O ZINC000108291563 186210524 /nfs/dbraw/zinc/21/05/24/186210524.db2.gz UQWPTXNAIONRHB-VXGBXAGGSA-N 1 0 292.404 2.253 10 0 CEAERO CN(C(=O)C1(c2ccccc2)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000108421540 186216318 /nfs/dbraw/zinc/21/63/18/186216318.db2.gz XDFMWRXPMSAEPV-XYPWUTKMSA-N 1 0 284.403 2.460 10 0 CEAERO CC[NH2+][C@@H]1CCC[C@H]1c1nc(-c2cccnc2)no1 ZINC000109495218 186256705 /nfs/dbraw/zinc/25/67/05/186256705.db2.gz KOKZNIWBPJGTOD-VXGBXAGGSA-N 1 0 258.325 2.377 10 0 CEAERO CC[C@@H]([NH3+])Cc1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000109505641 186257119 /nfs/dbraw/zinc/25/71/19/186257119.db2.gz BOCWBRGEWMPZCN-SNVBAGLBSA-N 1 0 277.324 2.034 10 0 CEAERO CC[NH2+][C@H](COC)Cc1nc(-c2ccc(F)cc2)no1 ZINC000109502691 186257269 /nfs/dbraw/zinc/25/72/69/186257269.db2.gz OADHSKSQSKGFEU-LBPRGKRZSA-N 1 0 279.315 2.043 10 0 CEAERO CCC[NH2+][C@H](Cc1nc(-c2cnccn2)no1)C(C)(C)C ZINC000109507152 186258024 /nfs/dbraw/zinc/25/80/24/186258024.db2.gz APYBSZMUQJZUQP-GFCCVEGCSA-N 1 0 289.383 2.483 10 0 CEAERO C[NH2+][C@H]1CCCC[C@@H]1c1nc(Cc2cccnc2)no1 ZINC000109510754 186258127 /nfs/dbraw/zinc/25/81/27/186258127.db2.gz KVBGSPCEABDLBG-STQMWFEESA-N 1 0 272.352 2.301 10 0 CEAERO CCC[NH2+][C@@H](C)[C@H](C)c1nc(-c2cnccn2)no1 ZINC000109507266 186258156 /nfs/dbraw/zinc/25/81/56/186258156.db2.gz FZRVUYCZLVNMEG-UWVGGRQHSA-N 1 0 261.329 2.018 10 0 CEAERO C[NH2+][C@@H](C)[C@H](c1nc(Cc2ccncc2)no1)C(C)C ZINC000109509217 186258446 /nfs/dbraw/zinc/25/84/46/186258446.db2.gz REULETQANUAMCS-SMDDNHRTSA-N 1 0 274.368 2.403 10 0 CEAERO C[NH2+][C@@H](C)Cc1nc(-c2cc(F)cc(F)c2)no1 ZINC000109520533 186259260 /nfs/dbraw/zinc/25/92/60/186259260.db2.gz MRMVEDVPOMNYSS-ZETCQYMHSA-N 1 0 253.252 2.165 10 0 CEAERO CCC[NH2+][C@@H](C)[C@@H](C)c1nc(COCCC)no1 ZINC000109519865 186259460 /nfs/dbraw/zinc/25/94/60/186259460.db2.gz AAJVPDNFVWSKKA-MNOVXSKESA-N 1 0 255.362 2.488 10 0 CEAERO [NH3+]Cc1ccc(CNC(=O)c2ccc(F)cc2)c(F)c1 ZINC000109540187 186261138 /nfs/dbraw/zinc/26/11/38/186261138.db2.gz KAADVCPSUFVWEK-UHFFFAOYSA-N 1 0 276.286 2.354 10 0 CEAERO COC[C@H](C)N(C)c1cc(CO)[nH+]c2ccccc21 ZINC000109594536 186265192 /nfs/dbraw/zinc/26/51/92/186265192.db2.gz KDOQYVHOTZNHJR-NSHDSACASA-N 1 0 260.337 2.198 10 0 CEAERO CCOC(=O)CN(C(C)C)[C@H](CC[NH3+])c1ccccc1 ZINC000109685070 186268446 /nfs/dbraw/zinc/26/84/46/186268446.db2.gz ZBXGATUCTBJCKL-OAHLLOKOSA-N 1 0 278.396 2.350 10 0 CEAERO CC[C@H]([NH2+]CCc1nncn1C)c1ccc2c(c1)CCO2 ZINC000109422562 186251218 /nfs/dbraw/zinc/25/12/18/186251218.db2.gz PRXDRXPNIBMAID-AWEZNQCLSA-N 1 0 286.379 2.033 10 0 CEAERO Cn1cnnc1CC[NH2+][C@@H]1CCSc2ccccc21 ZINC000109421060 186251430 /nfs/dbraw/zinc/25/14/30/186251430.db2.gz QCSMXRABPTZCRW-GFCCVEGCSA-N 1 0 274.393 2.184 10 0 CEAERO CC(C)c1ccc(CN2CC[NH+](CC(N)=S)CC2)cc1 ZINC000109442482 186253249 /nfs/dbraw/zinc/25/32/49/186253249.db2.gz RSFJTMPCMGYIDQ-UHFFFAOYSA-N 1 0 291.464 2.214 10 0 CEAERO C[C@H](C(N)=S)[NH+]1CCN(Cc2ccccc2Cl)CC1 ZINC000109468585 186253704 /nfs/dbraw/zinc/25/37/04/186253704.db2.gz RGMRRFVVXQNHJX-LLVKDONJSA-N 1 0 297.855 2.132 10 0 CEAERO CC[C@H](C[NH3+])N1CCN(c2nc3ccccc3s2)CC1 ZINC000109455194 186253903 /nfs/dbraw/zinc/25/39/03/186253903.db2.gz YRICXBNUNMRZSO-GFCCVEGCSA-N 1 0 290.436 2.156 10 0 CEAERO CC[C@H](c1noc(-c2cc(C)oc2C)n1)N1CC[NH2+]CC1 ZINC000109474525 186254754 /nfs/dbraw/zinc/25/47/54/186254754.db2.gz HVFJWIZFDCTUMK-CYBMUJFWSA-N 1 0 290.367 2.303 10 0 CEAERO CCC[C@H](c1noc(-c2ccc(C)o2)n1)N1CC[NH2+]CC1 ZINC000109475122 186255056 /nfs/dbraw/zinc/25/50/56/186255056.db2.gz LYVKYCLSMODXDA-GFCCVEGCSA-N 1 0 290.367 2.384 10 0 CEAERO Cc1cc(Br)cc2c1NC(=O)[C@H]2CC[NH3+] ZINC000110457911 186297339 /nfs/dbraw/zinc/29/73/39/186297339.db2.gz RJEJTLSALOPPGE-QMMMGPOBSA-N 1 0 269.142 2.142 10 0 CEAERO CC[C@@H](c1nc(CC(F)(F)F)no1)[C@H](C)[NH2+]C ZINC000110461364 186297504 /nfs/dbraw/zinc/29/75/04/186297504.db2.gz YLICIXJTYRIAKV-NKWVEPMBSA-N 1 0 251.252 2.276 10 0 CEAERO CC[NH2+]C[C@@H](O[C@H]1CCOC1)c1cccc(F)c1 ZINC000110529505 186301847 /nfs/dbraw/zinc/30/18/47/186301847.db2.gz HZRHVRDVBZDJEJ-UONOGXRCSA-N 1 0 253.317 2.282 10 0 CEAERO C[NH2+]Cc1oc2ccccc2c1CO[C@@H]1CCOC1 ZINC000110532758 186301962 /nfs/dbraw/zinc/30/19/62/186301962.db2.gz KENKVYQJGIQIOP-LLVKDONJSA-N 1 0 261.321 2.458 10 0 CEAERO [NH3+][C@H]1CCCCC[C@H]1NC(=O)[C@@H]1COc2ccccc2C1 ZINC000110540622 186302506 /nfs/dbraw/zinc/30/25/06/186302506.db2.gz RMFQQSNACQUNMA-SOUVJXGZSA-N 1 0 288.391 2.014 10 0 CEAERO CC[C@H]([NH2+]C)c1nnc([C@H]2COc3ccccc3C2)o1 ZINC000110541259 186302665 /nfs/dbraw/zinc/30/26/65/186302665.db2.gz KPUPGQIWEPLHDE-NEPJUHHUSA-N 1 0 273.336 2.459 10 0 CEAERO C[C@H]1C[C@H](C)CN(C(=O)Cc2ccc(C[NH3+])cc2)C1 ZINC000110611738 186304920 /nfs/dbraw/zinc/30/49/20/186304920.db2.gz MNQDELQSGIHKLN-STQMWFEESA-N 1 0 260.381 2.192 10 0 CEAERO COc1ccc(N(C)C(=O)Cc2ccc(C[NH3+])cc2)cc1 ZINC000110613773 186305015 /nfs/dbraw/zinc/30/50/15/186305015.db2.gz KESYSYDXGOCFLS-UHFFFAOYSA-N 1 0 284.359 2.359 10 0 CEAERO COc1cc(N2CC[C@H]([NH+]3CCCCC3)C2)c(N)cc1F ZINC000110628023 186306510 /nfs/dbraw/zinc/30/65/10/186306510.db2.gz FJVRSDCFUMAVKI-LBPRGKRZSA-N 1 0 293.386 2.481 10 0 CEAERO COc1cc2c(cc1F)[nH]c(=S)n2CCC[NH+](C)C ZINC000110628234 186306609 /nfs/dbraw/zinc/30/66/09/186306609.db2.gz BBRKHQHUCSWAAW-UHFFFAOYSA-N 1 0 283.372 2.424 10 0 CEAERO CC[C@H](C)[NH+]1CCN(c2cc(OC)c(F)cc2N)CC1 ZINC000110627829 186306725 /nfs/dbraw/zinc/30/67/25/186306725.db2.gz IPCYBPBQAYTWRC-NSHDSACASA-N 1 0 281.375 2.337 10 0 CEAERO COc1cc(N2CC[NH+](CC(C)C)CC2)c(N)cc1F ZINC000110627832 186306944 /nfs/dbraw/zinc/30/69/44/186306944.db2.gz GVPZSUWJNOHTFV-UHFFFAOYSA-N 1 0 281.375 2.195 10 0 CEAERO CCCn1cccc1C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000110646576 186309098 /nfs/dbraw/zinc/30/90/98/186309098.db2.gz MBQJCOGSLHRNNH-GFCCVEGCSA-N 1 0 263.385 2.098 10 0 CEAERO C[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@H](C)CC2)cc1 ZINC000110816257 186326113 /nfs/dbraw/zinc/32/61/13/186326113.db2.gz OWKPENVJAYAYCO-ZDUSSCGKSA-N 1 0 296.436 2.217 10 0 CEAERO COC(=O)[C@](C)(CC[N@@H+]1CCC[C@@H](C)CC1)NC1CC1 ZINC000110809552 186326236 /nfs/dbraw/zinc/32/62/36/186326236.db2.gz NTWKZAXKCVSWGI-CJNGLKHVSA-N 1 0 282.428 2.182 10 0 CEAERO C[C@@H]1C[C@H](C(=O)N2CCC[C@@H](C)CC2)CC[C@@H]1[NH3+] ZINC000110818774 186327759 /nfs/dbraw/zinc/32/77/59/186327759.db2.gz IOXHAICAALJWGD-SYQHCUMBSA-N 1 0 252.402 2.399 10 0 CEAERO C[NH2+][C@H]1C(=O)Nc2cc(Oc3ccccc3CO)ccc21 ZINC000110993959 186341251 /nfs/dbraw/zinc/34/12/51/186341251.db2.gz VHUWLVSKWZEBMY-OAHLLOKOSA-N 1 0 284.315 2.184 10 0 CEAERO C[C@H]([NH2+]CCN(C)CC1CCCC1)[C@@H]1CCCO1 ZINC000110845197 186328012 /nfs/dbraw/zinc/32/80/12/186328012.db2.gz UHHMTSFYRPMYGF-ZFWWWQNUSA-N 1 0 254.418 2.266 10 0 CEAERO C[N@H+](CCC[C@](C)([NH2+]C1CC1)C(=O)[O-])CC1CCCC1 ZINC000110840874 186328046 /nfs/dbraw/zinc/32/80/46/186328046.db2.gz DXCMTDWYKBTRIJ-INIZCTEOSA-N 1 0 282.428 2.484 10 0 CEAERO C[C@@H]([NH2+]CCN(C)CC1CCCC1)[C@@H]1CCCO1 ZINC000110845199 186328236 /nfs/dbraw/zinc/32/82/36/186328236.db2.gz UHHMTSFYRPMYGF-HIFRSBDPSA-N 1 0 254.418 2.266 10 0 CEAERO C[N@H+](CCCC[C@](C)([NH3+])C(=O)[O-])CC1CCCC1 ZINC000110840628 186328817 /nfs/dbraw/zinc/32/88/17/186328817.db2.gz QDZQRJPITIKTCU-AWEZNQCLSA-N 1 0 256.390 2.081 10 0 CEAERO Cc1nnc(N(C)CC2CCCC2)c(C(N)=[NH2+])c1C ZINC000110837250 186328898 /nfs/dbraw/zinc/32/88/98/186328898.db2.gz OPXUOTWWRBFWKE-UHFFFAOYSA-N 1 0 261.373 2.004 10 0 CEAERO c1ccc(-c2nn[nH]c2C[NH2+]CCc2cccnc2)cc1 ZINC000110924942 186333126 /nfs/dbraw/zinc/33/31/26/186333126.db2.gz PGBFBOKDCKBOTK-UHFFFAOYSA-N 1 0 279.347 2.199 10 0 CEAERO CN(C(=O)c1nccc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000110927045 186333430 /nfs/dbraw/zinc/33/34/30/186333430.db2.gz NTOGRNRXPOLSDN-ZDUSSCGKSA-N 1 0 269.348 2.059 10 0 CEAERO CN(Cc1ccccc1OC(F)F)[C@H]1CCC[NH2+]C1 ZINC000110926282 186333508 /nfs/dbraw/zinc/33/35/08/186333508.db2.gz GBKVSCIXQTUMGE-LBPRGKRZSA-N 1 0 270.323 2.472 10 0 CEAERO CN(Cc1cn2cc(Cl)ccc2n1)[C@@H]1CCC[NH2+]C1 ZINC000110931004 186333614 /nfs/dbraw/zinc/33/36/14/186333614.db2.gz ABDSFJXNNLFNNU-CYBMUJFWSA-N 1 0 278.787 2.172 10 0 CEAERO Cc1ccc2c(CN(C)[C@@H]3CCC[NH2+]C3)cc(=O)oc2c1 ZINC000110929239 186334011 /nfs/dbraw/zinc/33/40/11/186334011.db2.gz SKQBRRWDWKEKPE-CQSZACIVSA-N 1 0 286.375 2.285 10 0 CEAERO CN(Cc1ccn(-c2ccccc2)n1)[C@@H]1CCC[NH2+]C1 ZINC000110930169 186334063 /nfs/dbraw/zinc/33/40/63/186334063.db2.gz ISYQSVVNACURDS-MRXNPFEDSA-N 1 0 270.380 2.056 10 0 CEAERO CCN(C(=O)c1ccc(Cl)cc1O)[C@H]1CCC[NH2+]C1 ZINC000110939364 186334586 /nfs/dbraw/zinc/33/45/86/186334586.db2.gz FSKPMDZZSJVXBN-NSHDSACASA-N 1 0 282.771 2.260 10 0 CEAERO CCN(Cc1cn2cccc(C)c2n1)[C@@H]1CCC[NH2+]C1 ZINC000110944489 186335176 /nfs/dbraw/zinc/33/51/76/186335176.db2.gz IQRDCAHFLLHCSN-OAHLLOKOSA-N 1 0 272.396 2.217 10 0 CEAERO c1ccc2[nH]c(Cc3noc([C@@H]4CCC[NH2+]C4)n3)nc2c1 ZINC000110949290 186335633 /nfs/dbraw/zinc/33/56/33/186335633.db2.gz HBLXPTMDGCSQSN-SNVBAGLBSA-N 1 0 283.335 2.004 10 0 CEAERO CCCN(c1ccccc1S(C)(=O)=O)[C@H]1CCC[NH2+]C1 ZINC000110948052 186335811 /nfs/dbraw/zinc/33/58/11/186335811.db2.gz YCGRFPYKCKUXJT-ZDUSSCGKSA-N 1 0 296.436 2.059 10 0 CEAERO CC[C@H](C)NC(=O)[C@@H](C)n1c(CC[NH3+])nc2ccccc21 ZINC000110948835 186335826 /nfs/dbraw/zinc/33/58/26/186335826.db2.gz FXQUUCWHBPXUOG-NWDGAFQWSA-N 1 0 288.395 2.013 10 0 CEAERO CCN(c1ccc(S(=O)(=O)CC)cc1)[C@H]1CCC[NH2+]C1 ZINC000110947241 186335989 /nfs/dbraw/zinc/33/59/89/186335989.db2.gz FQVNAIRNEGMSGL-AWEZNQCLSA-N 1 0 296.436 2.059 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(C)cc1O[C@H]1CCS(=O)(=O)C1 ZINC000110960688 186336447 /nfs/dbraw/zinc/33/64/47/186336447.db2.gz RCQVJSKREYXBJC-OLZOCXBDSA-N 1 0 297.420 2.231 10 0 CEAERO Cc1ccc([C@@H](C)[NH3+])c(O[C@H](C)C(=O)NC2CC2)c1 ZINC000110958219 186336566 /nfs/dbraw/zinc/33/65/66/186336566.db2.gz RCMVNAHKZWQWNK-GHMZBOCLSA-N 1 0 262.353 2.061 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(C)cc1OCC(=O)NC1CC1 ZINC000110960611 186336650 /nfs/dbraw/zinc/33/66/50/186336650.db2.gz YRBYKMYDWUHIRS-GFCCVEGCSA-N 1 0 276.380 2.323 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(C)cc1O[C@@H](C)C(=O)OC ZINC000110960306 186336815 /nfs/dbraw/zinc/33/68/15/186336815.db2.gz ZXSHNESLXHQCJG-QWRGUYRKSA-N 1 0 251.326 2.216 10 0 CEAERO CC[C@H]1CN(Cc2cc(C(C)=O)ccc2OC)CC[N@@H+]1C ZINC000110728702 186317743 /nfs/dbraw/zinc/31/77/43/186317743.db2.gz RBOGEPOKYRYCIP-INIZCTEOSA-N 1 0 290.407 2.424 10 0 CEAERO CC[C@H]1CN(C(=O)c2ccc3c(c2)CCCN3)CC[N@@H+]1C ZINC000110741701 186318867 /nfs/dbraw/zinc/31/88/67/186318867.db2.gz JNFDKYSVYGHTMA-HNNXBMFYSA-N 1 0 287.407 2.211 10 0 CEAERO Cc1ccc([C@H](O)[C@H](C)[N@@H+]2CCN(C)C(C)(C)C2)cc1 ZINC000110736507 186318944 /nfs/dbraw/zinc/31/89/44/186318944.db2.gz ZNSNNUVWUBBKBA-GOEBONIOSA-N 1 0 276.424 2.443 10 0 CEAERO CNc1ccc(C)cc1C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000110771435 186323144 /nfs/dbraw/zinc/32/31/44/186323144.db2.gz JLFUUMWMJRPZFO-UHFFFAOYSA-N 1 0 275.396 2.203 10 0 CEAERO CCOC(CC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21)OCC ZINC000110785391 186324059 /nfs/dbraw/zinc/32/40/59/186324059.db2.gz GFOMRJPXCLQPLE-UONOGXRCSA-N 1 0 271.401 2.419 10 0 CEAERO Cc1nc(C[NH3+])sc1C(=O)OCc1ccccc1 ZINC000110789434 186324794 /nfs/dbraw/zinc/32/47/94/186324794.db2.gz HMYFZXMFQJNVBS-UHFFFAOYSA-N 1 0 262.334 2.267 10 0 CEAERO CC1CC[NH+](CCNC(=O)c2c(N)cccc2Cl)CC1 ZINC000111011484 186343084 /nfs/dbraw/zinc/34/30/84/186343084.db2.gz RSHDMYMSYYQECS-UHFFFAOYSA-N 1 0 295.814 2.384 10 0 CEAERO CCOC1CCN([C@@H](C[NH3+])c2cccc(F)c2F)CC1 ZINC000111039387 186346486 /nfs/dbraw/zinc/34/64/86/186346486.db2.gz COZOGKSYNGBLAV-AWEZNQCLSA-N 1 0 284.350 2.466 10 0 CEAERO [NH3+]C1CCC(C(=O)Nc2cc(Cl)ccn2)CC1 ZINC000236188574 539806212 /nfs/dbraw/zinc/80/62/12/539806212.db2.gz KNSRGRMWFUVUKI-UHFFFAOYSA-N 1 0 253.733 2.191 10 0 CEAERO CC[NH2+][C@@H]1CCCC[C@H]1N(C)C[C@@H]1CCCOC1 ZINC000111160368 186361680 /nfs/dbraw/zinc/36/16/80/186361680.db2.gz VMXLMCHVGKJFCL-RRFJBIMHSA-N 1 0 254.418 2.266 10 0 CEAERO C[NH2+][C@@H]1CCCCC[C@@H]1N(C)C[C@@H]1CCCOC1 ZINC000111160976 186362918 /nfs/dbraw/zinc/36/29/18/186362918.db2.gz ULNOWCDWQLAUEB-ZNMIVQPWSA-N 1 0 254.418 2.266 10 0 CEAERO CCCN(C1(C[NH3+])CCCC1)S(=O)(=O)C(C)(C)C ZINC000111071421 186351062 /nfs/dbraw/zinc/35/10/62/186351062.db2.gz BGLHJWXWWZVQOF-UHFFFAOYSA-N 1 0 276.446 2.098 10 0 CEAERO CCCOCCOC[C@H]([NH2+]C)c1ccc(OC)cc1 ZINC000111107902 186352318 /nfs/dbraw/zinc/35/23/18/186352318.db2.gz IJYPJNKPUKINBV-HNNXBMFYSA-N 1 0 267.369 2.399 10 0 CEAERO CCCOCCOC(=O)CC1(C[NH3+])CCCCC1 ZINC000111106262 186353046 /nfs/dbraw/zinc/35/30/46/186353046.db2.gz WJRLBSSNNPPSNM-UHFFFAOYSA-N 1 0 257.374 2.256 10 0 CEAERO CCCOCCO[C@@H]1CCc2cc(OC)ccc2[C@H]1[NH3+] ZINC000111107329 186353057 /nfs/dbraw/zinc/35/30/57/186353057.db2.gz MHKYYMZSHUYPKX-HZPDHXFCSA-N 1 0 279.380 2.453 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1ccncn1)c1ccncc1 ZINC000111113317 186353389 /nfs/dbraw/zinc/35/33/89/186353389.db2.gz XUIBHYDIAWLRLL-WCQYABFASA-N 1 0 260.366 2.442 10 0 CEAERO COC(C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)OC ZINC000111112730 186353495 /nfs/dbraw/zinc/35/34/95/186353495.db2.gz ZCFPBKMHQPWMQV-BDAKNGLRSA-N 1 0 255.280 2.316 10 0 CEAERO COc1ccc(C(C)=O)cc1CN(C)CCC[NH+](C)C ZINC000111139999 186357256 /nfs/dbraw/zinc/35/72/56/186357256.db2.gz GTSZNOQCCVZSMX-UHFFFAOYSA-N 1 0 278.396 2.281 10 0 CEAERO CCOc1ccccc1C(=O)CN(C)CCC[NH+](C)C ZINC000111140071 186357450 /nfs/dbraw/zinc/35/74/50/186357450.db2.gz ZCKWLYILBPKRRR-UHFFFAOYSA-N 1 0 278.396 2.152 10 0 CEAERO CCOc1ccc([C@H](O)CN(C)CCC[NH+](C)C)cc1 ZINC000111143889 186358988 /nfs/dbraw/zinc/35/89/88/186358988.db2.gz DSACTEUBAJXIDT-MRXNPFEDSA-N 1 0 280.412 2.002 10 0 CEAERO CCCOc1ccc([C@H](O)CN(C)CCC[NH+](C)C)cc1 ZINC000111143847 186359165 /nfs/dbraw/zinc/35/91/65/186359165.db2.gz JTTHYDPZVXCSGJ-QGZVFWFLSA-N 1 0 294.439 2.392 10 0 CEAERO Cc1cc(C)c(CO)c(N(C)C[C@H]2CCCOC2)[nH+]1 ZINC000111167694 186363974 /nfs/dbraw/zinc/36/39/74/186363974.db2.gz IKPHZJDJHXPXDW-CYBMUJFWSA-N 1 0 264.369 2.054 10 0 CEAERO C[NH2+][C@H](CN(C)CC1CCOCC1)c1ccc(OC)cc1 ZINC000111161814 186364331 /nfs/dbraw/zinc/36/43/31/186364331.db2.gz TYKJOGZQUGEAEL-QGZVFWFLSA-N 1 0 292.423 2.314 10 0 CEAERO CC[NH2+][C@@H](Cc1ncc[nH]1)[C@@H]1CCOc2ccccc21 ZINC000111185786 186366128 /nfs/dbraw/zinc/36/61/28/186366128.db2.gz ICQLURAGXNYEKM-OCCSQVGLSA-N 1 0 271.364 2.497 10 0 CEAERO CC(C)[NH2+]CCc1nnc(-c2ccc3c(c2)COC3)o1 ZINC000111307069 186394601 /nfs/dbraw/zinc/39/46/01/186394601.db2.gz VEIZBPOGQOYSHK-UHFFFAOYSA-N 1 0 273.336 2.307 10 0 CEAERO CN(C)c1nnc(Sc2ccc(F)cc2C[NH3+])s1 ZINC000111316244 186395943 /nfs/dbraw/zinc/39/59/43/186395943.db2.gz GATAGDHYLHMNEY-UHFFFAOYSA-N 1 0 284.385 2.353 10 0 CEAERO CCN(Cc1ccccc1)[C@@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111320653 186396919 /nfs/dbraw/zinc/39/69/19/186396919.db2.gz STXAJICJQGBPRB-CVEARBPZSA-N 1 0 262.397 2.262 10 0 CEAERO CCC[NH2+]C[C@@]1(CN(C)Cc2ccncc2)CCCOC1 ZINC000111325735 186398149 /nfs/dbraw/zinc/39/81/49/186398149.db2.gz DITGUNALOYEDJU-QGZVFWFLSA-N 1 0 291.439 2.310 10 0 CEAERO C[NH2+]C[C@@]1(CN(C)Cc2ccccc2OC)CCCOC1 ZINC000111327282 186399022 /nfs/dbraw/zinc/39/90/22/186399022.db2.gz AZTWXAJYWBADMN-QGZVFWFLSA-N 1 0 292.423 2.143 10 0 CEAERO Cc1cc(Sc2ccc(F)cc2C[NH3+])n(C)n1 ZINC000111238459 186373777 /nfs/dbraw/zinc/37/37/77/186373777.db2.gz RQNXKQAIYOSSEH-UHFFFAOYSA-N 1 0 251.330 2.478 10 0 CEAERO FC(F)(F)[C@@]1(c2nncn2C2CCCC2)CC[NH2+]C1 ZINC000111241463 186374754 /nfs/dbraw/zinc/37/47/54/186374754.db2.gz VVHLKILIWASQBK-NSHDSACASA-N 1 0 274.290 2.187 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000111263894 186381316 /nfs/dbraw/zinc/38/13/16/186381316.db2.gz PKSAXEAXZHRZGC-WMLDXEAASA-N 1 0 286.419 2.323 10 0 CEAERO CSc1ccc([C@H](C)NC(=O)[C@H]2C[NH2+]C[C@@H]2C)cc1 ZINC000111265578 186381408 /nfs/dbraw/zinc/38/14/08/186381408.db2.gz IUGPRMMNWGCZLW-MJVIPROJSA-N 1 0 278.421 2.441 10 0 CEAERO C[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)c1cc2ccccc2o1 ZINC000111266212 186382860 /nfs/dbraw/zinc/38/28/60/186382860.db2.gz MQAGFEXUHCKXOM-NTZNESFSSA-N 1 0 272.348 2.466 10 0 CEAERO COc1ccc(CN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)C2CC2)cc1 ZINC000111268252 186382874 /nfs/dbraw/zinc/38/28/74/186382874.db2.gz RRCQWGPXSGLNHR-MLGOLLRUSA-N 1 0 288.391 2.042 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000111266900 186383265 /nfs/dbraw/zinc/38/32/65/186383265.db2.gz XTOKHTSCOKEMJE-XWLWVQCSSA-N 1 0 278.318 2.079 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)N(C)Cc1ccccc1Cl ZINC000111267943 186383299 /nfs/dbraw/zinc/38/32/99/186383299.db2.gz DSJQATNXJOOHAX-JQWIXIFHSA-N 1 0 266.772 2.154 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(Cl)c(F)c1 ZINC000111266195 186383473 /nfs/dbraw/zinc/38/34/73/186383473.db2.gz RZJFJAOILVOKIL-APPZFPTMSA-N 1 0 256.708 2.273 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCc2sccc2[C@@H]1C1CC1 ZINC000111268412 186383805 /nfs/dbraw/zinc/38/38/05/186383805.db2.gz AFWAUBNKCKKLFA-XEGUGMAKSA-N 1 0 290.432 2.439 10 0 CEAERO COc1cccc([C@H]2CCCN2C(=O)[C@H]2C[NH2+]C[C@@H]2C)c1 ZINC000111268457 186383919 /nfs/dbraw/zinc/38/39/19/186383919.db2.gz OBRUAXHRXQTVRX-VBNZEHGJSA-N 1 0 288.391 2.214 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N(C)Cc1nc2ccccc2s1 ZINC000111268256 186384118 /nfs/dbraw/zinc/38/41/18/186384118.db2.gz QPDJEXGRQDZNJW-MNOVXSKESA-N 1 0 289.404 2.110 10 0 CEAERO CC[C@@H](C)c1noc(-c2c[nH]c(C3([NH3+])CCC3)n2)n1 ZINC000111274283 186384873 /nfs/dbraw/zinc/38/48/73/186384873.db2.gz OKAFAPKJJIXOHF-MRVPVSSYSA-N 1 0 261.329 2.311 10 0 CEAERO CC[C@@H](C)c1noc(-c2sc(C[NH3+])nc2C)n1 ZINC000111274391 186385817 /nfs/dbraw/zinc/38/58/17/186385817.db2.gz YXNYULDLGYHLMD-ZCFIWIBFSA-N 1 0 252.343 2.474 10 0 CEAERO Cc1nc(Cl)c(C)c(OCC[NH+]2CCCC2)n1 ZINC000111294089 186391154 /nfs/dbraw/zinc/39/11/54/186391154.db2.gz FCUOQSUKQYGBPJ-UHFFFAOYSA-N 1 0 255.749 2.221 10 0 CEAERO CN(Cc1ccco1)c1nc2ccccn2c1CC[NH3+] ZINC000111479537 186421998 /nfs/dbraw/zinc/42/19/98/186421998.db2.gz CJQZTZNJYWFPED-UHFFFAOYSA-N 1 0 270.336 2.065 10 0 CEAERO CC[C@H]([NH3+])Cc1ccc(N(C)CCCOC)cc1 ZINC000111499629 186424814 /nfs/dbraw/zinc/42/48/14/186424814.db2.gz JSOIWIOYKOBCRB-AWEZNQCLSA-N 1 0 250.386 2.439 10 0 CEAERO CC[C@H]([NH3+])Cc1c(C)nn(C)c1N1CCCC1(C)C ZINC000111500973 186425198 /nfs/dbraw/zinc/42/51/98/186425198.db2.gz CYUUHROAFJGYTF-LBPRGKRZSA-N 1 0 264.417 2.387 10 0 CEAERO C[C@@H]([NH3+])Cc1ccc(N(C)Cc2cnn(C)c2)c(F)c1 ZINC000111508567 186425221 /nfs/dbraw/zinc/42/52/21/186425221.db2.gz NYANKLGRVOKETG-LLVKDONJSA-N 1 0 276.359 2.085 10 0 CEAERO CCCC[C@H](COC)[NH2+][C@H](C)c1nnc2n1CCCC2 ZINC000131024521 366014082 /nfs/dbraw/zinc/01/40/82/366014082.db2.gz BIDGRZKGGSXNMT-CHWSQXEVSA-N 1 0 280.416 2.470 10 0 CEAERO C[C@H]([NH3+])Cc1c(Sc2ncccn2)nc2sccn21 ZINC000111582953 186430165 /nfs/dbraw/zinc/43/01/65/186430165.db2.gz WFQSBJLQRBOCCC-QMMMGPOBSA-N 1 0 291.405 2.227 10 0 CEAERO CCN(CC)C(=O)[C@H](C)N1CCCC[C@@H]1C[NH2+]C(C)C ZINC000111702833 186447881 /nfs/dbraw/zinc/44/78/81/186447881.db2.gz RUYBMOGEMHZDHX-LSDHHAIUSA-N 1 0 283.460 2.096 10 0 CEAERO CN(CCOC1CC[NH2+]CC1)c1cccc(F)c1 ZINC000111761318 186455111 /nfs/dbraw/zinc/45/51/11/186455111.db2.gz LCHDJAZTYUTXJI-UHFFFAOYSA-N 1 0 252.333 2.031 10 0 CEAERO CCC(CC)N(CC[NH3+])C(=O)Cc1ccccc1OC ZINC000111368674 186407744 /nfs/dbraw/zinc/40/77/44/186407744.db2.gz NZHGPNORSRQAMP-UHFFFAOYSA-N 1 0 278.396 2.214 10 0 CEAERO COc1ccc(C(=O)N[C@@]2(C[NH3+])CCC[C@@H](C)C2)cc1F ZINC000111370048 186408112 /nfs/dbraw/zinc/40/81/12/186408112.db2.gz RMOWXWMVFUOIMA-BZNIZROVSA-N 1 0 294.370 2.472 10 0 CEAERO [NH3+]CCC[C@H]1CCCN1C(=O)CCOc1ccccc1 ZINC000111371086 186408842 /nfs/dbraw/zinc/40/88/42/186408842.db2.gz IPXVUYUDVCXYAC-AWEZNQCLSA-N 1 0 276.380 2.185 10 0 CEAERO Cc1cc(C)c(C(N)=O)c(NC2(C[NH3+])CCC(C)CC2)n1 ZINC000111379136 186409531 /nfs/dbraw/zinc/40/95/31/186409531.db2.gz MYQSNGYVNNTRGZ-UHFFFAOYSA-N 1 0 290.411 2.117 10 0 CEAERO Cc1cc(=O)n(CC[NH2+]CC2CCCCC2)c(C)n1 ZINC000111402763 186413888 /nfs/dbraw/zinc/41/38/88/186413888.db2.gz RHEHOVWDLRPXEV-UHFFFAOYSA-N 1 0 263.385 2.030 10 0 CEAERO CCOCCCN1C[C@@H]2CCCC[N@@H+]2C[C@H]1CC ZINC000251921217 539810906 /nfs/dbraw/zinc/81/09/06/539810906.db2.gz YMPANZZEQSGVSX-CABCVRRESA-N 1 0 254.418 2.362 10 0 CEAERO CC(C)[C@H](CNC(=O)OCC(F)(F)F)[NH+]1CCCC1 ZINC000112642623 186511452 /nfs/dbraw/zinc/51/14/52/186511452.db2.gz ZPAZMXSNXFLFES-JTQLQIEISA-N 1 0 282.306 2.395 10 0 CEAERO CN1CC[C@@H](C[NH3+])[C@@H]1c1ccc(Br)s1 ZINC000069796077 363001689 /nfs/dbraw/zinc/00/16/89/363001689.db2.gz VRTDNNMRSZEZRJ-OIBJUYFYSA-N 1 0 275.215 2.462 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc2ccccc2o1 ZINC000113268844 186567008 /nfs/dbraw/zinc/56/70/08/186567008.db2.gz NKEAYZATEAHOLK-CHWSQXEVSA-N 1 0 271.364 2.496 10 0 CEAERO CC(C)OC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116404435 186712045 /nfs/dbraw/zinc/71/20/45/186712045.db2.gz WXUUPSKZEUDRSC-CHWSQXEVSA-N 1 0 253.342 2.202 10 0 CEAERO CCCCC[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000117880363 186758867 /nfs/dbraw/zinc/75/88/67/186758867.db2.gz ZTBATNSRKISSGV-UHFFFAOYSA-N 1 0 264.417 2.118 10 0 CEAERO C[NH+](C)C[C@H](NC(=O)c1ccc(F)nc1)c1ccccc1 ZINC000070083911 363031055 /nfs/dbraw/zinc/03/10/55/363031055.db2.gz CWKWFMYUABGILX-AWEZNQCLSA-N 1 0 287.338 2.253 10 0 CEAERO O=C(c1ccc2cc[nH]c2c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000070165652 363041197 /nfs/dbraw/zinc/04/11/97/363041197.db2.gz BIAIDKMLSXKKRH-AWEZNQCLSA-N 1 0 269.348 2.088 10 0 CEAERO C[C@@H]1CN(C(=O)[C@H]2CCCC3(CC3)C2)C[C@H]1C[NH3+] ZINC000630091883 351615234 /nfs/dbraw/zinc/61/52/34/351615234.db2.gz IMYSHQKVOUGEAQ-FRRDWIJNSA-N 1 0 250.386 2.010 10 0 CEAERO C[C@@H]1CCCCCN1C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000070409613 363079536 /nfs/dbraw/zinc/07/95/36/363079536.db2.gz MLJRTJDKZIMLJS-UKRRQHHQSA-N 1 0 260.381 2.348 10 0 CEAERO CC(C)[C@H]([NH3+])CNc1ccc(Br)cn1 ZINC000070447798 363082992 /nfs/dbraw/zinc/08/29/92/363082992.db2.gz PERAQNXRJPHLKH-SECBINFHSA-N 1 0 258.163 2.239 10 0 CEAERO Cc1cc(N2CCC[NH2+]CC2)nc(-c2ccc(F)cc2)n1 ZINC000070451990 363084060 /nfs/dbraw/zinc/08/40/60/363084060.db2.gz MPLZUOZFALYZRI-UHFFFAOYSA-N 1 0 286.354 2.391 10 0 CEAERO Cc1nc(NC[C@H]2CCC[NH2+]C2)cc(-c2ccncc2)n1 ZINC000070456382 363084377 /nfs/dbraw/zinc/08/43/77/363084377.db2.gz LOFKJWNZZHTXMN-ZDUSSCGKSA-N 1 0 283.379 2.259 10 0 CEAERO Cc1nc(-c2ccncc2)nc(N[C@@H]2CCC[NH2+]C2)c1C ZINC000070456503 363084929 /nfs/dbraw/zinc/08/49/29/363084929.db2.gz NXENZUWZKJXLOH-CQSZACIVSA-N 1 0 283.379 2.319 10 0 CEAERO CCc1nn(C)c(CC)c1C[N@@H+]1CCS[C@@H](C)C1 ZINC000131435057 366054336 /nfs/dbraw/zinc/05/43/36/366054336.db2.gz PUYAOFPNAAZJIV-NSHDSACASA-N 1 0 267.442 2.482 10 0 CEAERO CO[C@@H]1CN(CCCCC2CCOCC2)[C@](C)(C[NH3+])C1 ZINC000630363371 351712187 /nfs/dbraw/zinc/71/21/87/351712187.db2.gz BEKMOOPMZFDBIH-HOTGVXAUSA-N 1 0 284.444 2.021 10 0 CEAERO CO[C@H]1CN(Cc2cc(F)ccc2Cl)[C@@](C)(C[NH3+])C1 ZINC000630369260 351714769 /nfs/dbraw/zinc/71/47/69/351714769.db2.gz WFIBGDFWVAEQPW-TZMCWYRMSA-N 1 0 286.778 2.417 10 0 CEAERO C[C@]12C[NH2+]C[C@@]1(C)CN(c1ccc(Cl)cn1)C2 ZINC000630539309 351777969 /nfs/dbraw/zinc/77/79/69/351777969.db2.gz ZUYRHPYSEWLVPL-BETUJISGSA-N 1 0 251.761 2.171 10 0 CEAERO [NH3+][C@H]1CCCCCN(c2ccnc3cccnc32)C1 ZINC000630549240 351780834 /nfs/dbraw/zinc/78/08/34/351780834.db2.gz 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272.396 2.076 10 0 CEAERO Cc1nnc([C@@H](C)[NH2+]C[C@](C)(O)c2ccccc2)s1 ZINC000273587656 192218349 /nfs/dbraw/zinc/21/83/49/192218349.db2.gz IGOILBYITKTKIZ-YGRLFVJLSA-N 1 0 277.393 2.405 10 0 CEAERO NN1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000075442918 363464532 /nfs/dbraw/zinc/46/45/32/363464532.db2.gz XRCBYIPHXRTHAN-UHFFFAOYSA-N 1 0 281.403 2.310 10 0 CEAERO COc1ncc(Cl)c(N2CCC([NH2+]CC3CC3)CC2)n1 ZINC000133695205 366248599 /nfs/dbraw/zinc/24/85/99/366248599.db2.gz QVCKBUXZOKJMEL-UHFFFAOYSA-N 1 0 296.802 2.107 10 0 CEAERO C[C@@H]1CC[C@@H](CN2C(=O)c3ccccc3C2=O)[NH2+][C@@H]1C ZINC000575519419 366293439 /nfs/dbraw/zinc/29/34/39/366293439.db2.gz UCENDDCMTLUDLF-UTUOFQBUSA-N 1 0 272.348 2.059 10 0 CEAERO C[C@@H]1CC[C@@H](CN2C(=O)c3ccccc3C2=O)[NH2+][C@H]1C ZINC000575519420 366293491 /nfs/dbraw/zinc/29/34/91/366293491.db2.gz UCENDDCMTLUDLF-WOPDTQHZSA-N 1 0 272.348 2.059 10 0 CEAERO [NH3+][C@@H]1COC[C@H]1Cc1sccc1Br ZINC000575531516 366293960 /nfs/dbraw/zinc/29/39/60/366293960.db2.gz 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O[C@@H](CN1CC[N@@H+]2CCCC[C@@H]2C1)c1ccccc1F ZINC000177766858 189067974 /nfs/dbraw/zinc/06/79/74/189067974.db2.gz OFXMXFHXCXUVOI-CJNGLKHVSA-N 1 0 278.371 2.029 10 0 CEAERO Cc1cc(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)on1 ZINC000178306802 189104636 /nfs/dbraw/zinc/10/46/36/189104636.db2.gz CUBNXPXOFGJJOA-ZDUSSCGKSA-N 1 0 260.341 2.153 10 0 CEAERO C[C@H](C(=O)N[C@H](C[NH+](C)C)c1ccccc1)C1CC1 ZINC000178398777 189113191 /nfs/dbraw/zinc/11/31/91/189113191.db2.gz MYVBBYMURILNNX-SWLSCSKDSA-N 1 0 260.381 2.452 10 0 CEAERO Cc1ccc2cc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)ccc2n1 ZINC000178525475 189123854 /nfs/dbraw/zinc/12/38/54/189123854.db2.gz XHOPZCZXAZZVHQ-INIZCTEOSA-N 1 0 295.386 2.463 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]2CN(c3nc(C(F)(F)F)ns3)C[C@@H]21 ZINC000228793431 283588490 /nfs/dbraw/zinc/58/84/90/283588490.db2.gz BVLSTAJQXXTDRQ-BIIVOSGPSA-N 1 0 292.330 2.121 10 0 CEAERO Cc1cc(C)c(CC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c(C)c1 ZINC000179913183 189227898 /nfs/dbraw/zinc/22/78/98/189227898.db2.gz SRZJLMGNMRSGCY-INIZCTEOSA-N 1 0 286.419 2.461 10 0 CEAERO CSc1cc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)ccc1F ZINC000179813986 189221807 /nfs/dbraw/zinc/22/18/07/189221807.db2.gz JQIHHOADTXEDHW-GFCCVEGCSA-N 1 0 294.395 2.468 10 0 CEAERO COC[C@@H]([NH3+])C(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000159255422 292818328 /nfs/dbraw/zinc/81/83/28/292818328.db2.gz UQBCJZWKVVNWDI-OLZOCXBDSA-N 1 0 282.359 2.003 10 0 CEAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc2ccccc2n1 ZINC000180490501 189258058 /nfs/dbraw/zinc/25/80/58/189258058.db2.gz PGVNADQWMNPOGX-ZFWWWQNUSA-N 1 0 285.391 2.216 10 0 CEAERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)CC2CC2)ncn1 ZINC000180578104 189263023 /nfs/dbraw/zinc/26/30/23/189263023.db2.gz JJLWDPMJIZLJJB-GXTWGEPZSA-N 1 0 289.427 2.265 10 0 CEAERO CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)CC2CC2)ncn1 ZINC000180578069 189263206 /nfs/dbraw/zinc/26/32/06/189263206.db2.gz JJLWDPMJIZLJJB-JSGCOSHPSA-N 1 0 289.427 2.265 10 0 CEAERO c1nc2n(n1)C[C@@H]([NH2+][C@@H](Cc1ccccc1)C1CC1)CC2 ZINC000180580215 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c1csc(-c2noc(CN3CC[N@@H+]4CCC[C@H]4C3)n2)c1 ZINC000022932726 361590901 /nfs/dbraw/zinc/59/09/01/361590901.db2.gz YFXLVGCCGRCHFS-NSHDSACASA-N 1 0 290.392 2.078 10 0 CEAERO CC(C)Cn1ccnc(NC2CC[NH+](C(C)C)CC2)c1=O ZINC000301939589 201269818 /nfs/dbraw/zinc/26/98/18/201269818.db2.gz VHOCDNDWWQXRQN-UHFFFAOYSA-N 1 0 292.427 2.184 10 0 CEAERO CC(C)(C)[NH2+]C[C@@H](O)COc1ccc(-c2ncc[nH]2)cc1 ZINC000028101238 361667132 /nfs/dbraw/zinc/66/71/32/361667132.db2.gz HBYIEJQLZYCNSI-CYBMUJFWSA-N 1 0 289.379 2.205 10 0 CEAERO CC[NH2+]CCN[C@@H]1c2ccccc2OCc2ncccc21 ZINC000027877975 361660018 /nfs/dbraw/zinc/66/00/18/361660018.db2.gz MIOYGJRMSAWAEP-KRWDZBQOSA-N 1 0 283.375 2.263 10 0 CEAERO CC(C)C[NH2+]C[C@H](O)COc1cccc(Cl)c1 ZINC000032110456 361728391 /nfs/dbraw/zinc/72/83/91/361728391.db2.gz AQBFBVJGGOPKRL-LBPRGKRZSA-N 1 0 257.761 2.325 10 0 CEAERO Fc1ccc2c(c1)OCCN2C[C@@H]1CCC[NH2+]C1 ZINC000084885328 363824660 /nfs/dbraw/zinc/82/46/60/363824660.db2.gz NQXUFHRBWCUKMT-LLVKDONJSA-N 1 0 250.317 2.024 10 0 CEAERO C[C@@H]1CN(c2ccc(Br)cn2)CC[C@@H]1[NH3+] ZINC000086887116 363839159 /nfs/dbraw/zinc/83/91/59/363839159.db2.gz UQTYBCDTEVPKCU-SCZZXKLOSA-N 1 0 270.174 2.018 10 0 CEAERO Ic1cccc(N[C@H]2CC[NH2+]C2)c1 ZINC000086725927 363839526 /nfs/dbraw/zinc/83/95/26/363839526.db2.gz KUTRRFUSVKIBMC-JTQLQIEISA-N 1 0 288.132 2.065 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)N1CCC[C@H]2CCC[C@@H]21 ZINC000087770109 363869828 /nfs/dbraw/zinc/86/98/28/363869828.db2.gz KSYWWYPYWZQXEV-MJBXVCDLSA-N 1 0 250.386 2.167 10 0 CEAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc2ncccc2c1 ZINC000089165412 363944769 /nfs/dbraw/zinc/94/47/69/363944769.db2.gz HJIMITWDZGKDOP-GDBMZVCRSA-N 1 0 256.349 2.485 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(C)cc1O ZINC000092632802 364092864 /nfs/dbraw/zinc/09/28/64/364092864.db2.gz HYEXTRIKVDFQBX-CYBMUJFWSA-N 1 0 276.380 2.257 10 0 CEAERO Cc1ccc(C[NH+]2CCC(N(C)c3cccnn3)CC2)o1 ZINC000093272490 364156448 /nfs/dbraw/zinc/15/64/48/364156448.db2.gz CDAQPIVRCHVWBO-UHFFFAOYSA-N 1 0 286.379 2.479 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCCC2(CC2)CC1 ZINC000638755723 370726638 /nfs/dbraw/zinc/72/66/38/370726638.db2.gz FSWOAASTAWALDI-CHWSQXEVSA-N 1 0 250.386 2.154 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1Cc1cccc2c1OC(C)(C)C2 ZINC000261583896 291304804 /nfs/dbraw/zinc/30/48/04/291304804.db2.gz HKURSDREYSPYFN-SMDDNHRTSA-N 1 0 260.381 2.322 10 0 CEAERO [NH3+]C[C@@H]1CC[C@@H](c2nc(Cc3ccccc3Cl)no2)O1 ZINC000094560937 364276626 /nfs/dbraw/zinc/27/66/26/364276626.db2.gz VVIVYIDXYLHNGN-JQWIXIFHSA-N 1 0 293.754 2.493 10 0 CEAERO c1ccc2nc(O[C@H]3CCC[NH2+]C3)c(NC3CC3)nc2c1 ZINC000095068059 364330204 /nfs/dbraw/zinc/33/02/04/364330204.db2.gz YZLIHMXAYPLJAP-LBPRGKRZSA-N 1 0 284.363 2.335 10 0 CEAERO Clc1nccc(OCCC[C@@H]2CCCC[NH2+]2)n1 ZINC000095070347 364331314 /nfs/dbraw/zinc/33/13/14/364331314.db2.gz VGZISGKEPSGPQT-JTQLQIEISA-N 1 0 255.749 2.431 10 0 CEAERO O=C(COCCC[C@@H]1CCC[NH2+]C1)c1ccco1 ZINC000095072955 364333614 /nfs/dbraw/zinc/33/36/14/364333614.db2.gz KWVQQUPMDDQWSN-LBPRGKRZSA-N 1 0 251.326 2.259 10 0 CEAERO CCC[NH2+]CC(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000095081986 364336003 /nfs/dbraw/zinc/33/60/03/364336003.db2.gz SFAALUVAWUALEG-UHFFFAOYSA-N 1 0 282.212 2.320 10 0 CEAERO Brc1cc(CO[C@@H]2CCC[NH2+]C2)ccn1 ZINC000095092456 364338970 /nfs/dbraw/zinc/33/89/70/364338970.db2.gz YBKNZKZEHXHMPC-SNVBAGLBSA-N 1 0 271.158 2.113 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+][C@H](C)CCCO)c1C ZINC000094942436 364309905 /nfs/dbraw/zinc/30/99/05/364309905.db2.gz LNZACWCSQXPJSB-GHMZBOCLSA-N 1 0 253.390 2.331 10 0 CEAERO C[C@@H]1CCC[N@@H+]1CCCCC[NH+]1CCC[C@H]1C(=O)[O-] ZINC000096032060 364398951 /nfs/dbraw/zinc/39/89/51/364398951.db2.gz PHDBRYRAAHYYKD-KGLIPLIRSA-N 1 0 268.401 2.190 10 0 CEAERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1ncccc1Br ZINC000335655427 212374059 /nfs/dbraw/zinc/37/40/59/212374059.db2.gz CPKFXJKKZAEYSO-SCZZXKLOSA-N 1 0 270.174 2.254 10 0 CEAERO COC[C@@H](C)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000103359452 364643295 /nfs/dbraw/zinc/64/32/95/364643295.db2.gz GBEJLHYZTYGAKH-KGLIPLIRSA-N 1 0 294.395 2.205 10 0 CEAERO COC[C@@H](C)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000103430806 364651750 /nfs/dbraw/zinc/65/17/50/364651750.db2.gz JKPSBGHRDKJHKV-CQSZACIVSA-N 1 0 292.423 2.426 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(CC1CCCCC1)C1CC1 ZINC000104205087 364685896 /nfs/dbraw/zinc/68/58/96/364685896.db2.gz JDGANRWSAAIVPJ-IUODEOHRSA-N 1 0 264.413 2.413 10 0 CEAERO CCS(=O)(=O)c1ccc(N2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000111612619 364747045 /nfs/dbraw/zinc/74/70/45/364747045.db2.gz AVWATSBKNRTHRA-GFCCVEGCSA-N 1 0 296.436 2.044 10 0 CEAERO Cc1c(F)cccc1C(=O)N1CCCC[C@H]1C[NH3+] ZINC000335539334 364800104 /nfs/dbraw/zinc/80/01/04/364800104.db2.gz VFQDQEHSOIPGAI-NSHDSACASA-N 1 0 250.317 2.088 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccccc1 ZINC000113367346 364890739 /nfs/dbraw/zinc/89/07/39/364890739.db2.gz LCAGASLUTMIKTD-UKRRQHHQSA-N 1 0 273.380 2.065 10 0 CEAERO Cc1ccccc1NC(=O)CN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000113268916 364882048 /nfs/dbraw/zinc/88/20/48/364882048.db2.gz ADWHEWUBGUVEPO-GJZGRUSLSA-N 1 0 287.407 2.102 10 0 CEAERO O=C(CN1CC[N@@H+]2CCC[C@@H]2C1)c1c[nH]c2ccccc12 ZINC000113412476 364893238 /nfs/dbraw/zinc/89/32/38/364893238.db2.gz XEMYBIQLDPYXID-CYBMUJFWSA-N 1 0 283.375 2.131 10 0 CEAERO COC[C@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000114642003 364954321 /nfs/dbraw/zinc/95/43/21/364954321.db2.gz YFPGKWMSTJRNAD-HOCLYGCPSA-N 1 0 290.407 2.050 10 0 CEAERO CC[C@@H]1CN(C(=O)CC2CCCC2)CC[N@@H+]1CCOC ZINC000117299884 365101762 /nfs/dbraw/zinc/10/17/62/365101762.db2.gz XSOYDPYDIDEASP-OAHLLOKOSA-N 1 0 282.428 2.136 10 0 CEAERO COCCOC1CC[NH+](C[C@@](C)(O)c2ccccc2)CC1 ZINC000116883944 365078124 /nfs/dbraw/zinc/07/81/24/365078124.db2.gz FCCGPNJKKHAEEG-QGZVFWFLSA-N 1 0 293.407 2.022 10 0 CEAERO CCSCC[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000119107401 365217333 /nfs/dbraw/zinc/21/73/33/365217333.db2.gz XGCUNRGYYMQEBT-CYBMUJFWSA-N 1 0 280.441 2.130 10 0 CEAERO Cn1c(C[NH2+]C[C@H]2CCc3nccn3C2)nc2ccccc21 ZINC000275452835 193044284 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COCc1ccccc1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000159077115 366874068 /nfs/dbraw/zinc/87/40/68/366874068.db2.gz VFXUGWUIJNPZDG-CJNGLKHVSA-N 1 0 290.407 2.292 10 0 CEAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cccc(Cl)n1 ZINC000120379743 365415269 /nfs/dbraw/zinc/41/52/69/365415269.db2.gz DACWOLNRDHLFKF-JTQLQIEISA-N 1 0 269.776 2.195 10 0 CEAERO CC[C@@H]1CN(Cc2c(F)cccc2F)CC[N@@H+]1C[C@@H](C)O ZINC000120762709 365471328 /nfs/dbraw/zinc/47/13/28/365471328.db2.gz NHVAHGSAKSBEHT-CHWSQXEVSA-N 1 0 298.377 2.242 10 0 CEAERO C[C@H]([NH3+])C[C@H](C)Nc1ccncc1Br ZINC000160032159 366966984 /nfs/dbraw/zinc/96/69/84/366966984.db2.gz DREKJORIAFYMOH-YUMQZZPRSA-N 1 0 258.163 2.382 10 0 CEAERO C[C@H]([NH2+]CCOC1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000583137949 367005999 /nfs/dbraw/zinc/00/59/99/367005999.db2.gz WEJFFUSDOWMPIF-KBPBESRZSA-N 1 0 254.418 2.313 10 0 CEAERO CCC[C@H](C(=O)NCCc1cccc(C)c1)[NH+](C)C ZINC000161879985 367119138 /nfs/dbraw/zinc/11/91/38/367119138.db2.gz MLIXKJSVJWFMSS-OAHLLOKOSA-N 1 0 262.397 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299.436 2.005 10 0 CEAERO CC1(CNC(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)CCCC1 ZINC000334919668 207293518 /nfs/dbraw/zinc/29/35/18/207293518.db2.gz VHXKWFAMPDLADZ-GFCCVEGCSA-N 1 0 267.417 2.336 10 0 CEAERO C[C@H](NC(=O)N1CC[C@H]([NH3+])C(C)(C)C1)C1CCCC1 ZINC000334954890 207349256 /nfs/dbraw/zinc/34/92/56/207349256.db2.gz DPWOZIHINWZHGE-AAEUAGOBSA-N 1 0 267.417 2.334 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2c[nH]nc2C)C12CCOCC2 ZINC000186314540 542308649 /nfs/dbraw/zinc/30/86/49/542308649.db2.gz IXOWLVRIFRPZKS-TUKIKUTGSA-N 1 0 293.411 2.343 10 0 CEAERO NC(=[NH2+])c1cc2c(nc1Oc1cccnc1)CCCC2 ZINC000043410527 184559484 /nfs/dbraw/zinc/55/94/84/184559484.db2.gz KWCQJVZMRAVICM-UHFFFAOYSA-N 1 0 268.320 2.432 10 0 CEAERO C[C@@H]([NH3+])c1ccc(S[C@H]2CCN(C)C2=O)cc1 ZINC000079578373 184594206 /nfs/dbraw/zinc/59/42/06/184594206.db2.gz PMWKBKYQJXGENR-SKDRFNHKSA-N 1 0 250.367 2.029 10 0 CEAERO CCC[C@@H]1CC[C@H]([NH2+]C)[C@H](Sc2nc[nH]n2)C1 ZINC000081849588 184597553 /nfs/dbraw/zinc/59/75/53/184597553.db2.gz RVFNHFQMJQTVSP-OUAUKWLOSA-N 1 0 254.403 2.454 10 0 CEAERO C[NH2+]C[C@H]1CCCN1c1ncc(Br)cc1C ZINC000086709006 184609815 /nfs/dbraw/zinc/60/98/15/184609815.db2.gz VAPVGOTYSDGIFX-LLVKDONJSA-N 1 0 284.201 2.341 10 0 CEAERO [NH3+]CC1(OCC(=O)Nc2ccccc2F)CCCC1 ZINC000086710816 184610061 /nfs/dbraw/zinc/61/00/61/184610061.db2.gz CAKNFCPKCJOZBW-UHFFFAOYSA-N 1 0 266.316 2.052 10 0 CEAERO CN(Cc1ccccc1)S(=O)(=O)c1ccsc1C[NH3+] ZINC000088915176 184614136 /nfs/dbraw/zinc/61/41/36/184614136.db2.gz WAENDUYLCDENNW-UHFFFAOYSA-N 1 0 296.417 2.028 10 0 CEAERO CCC[NH2+]C[C@@H](C)S(=O)(=O)N1c2ccccc2C[C@@H]1C ZINC000088915999 184614540 /nfs/dbraw/zinc/61/45/40/184614540.db2.gz KZWXZJPFNUSYHH-QWHCGFSZSA-N 1 0 296.436 2.156 10 0 CEAERO CC[NH2+]Cc1ccc(CS(=O)(=O)N(C)[C@H](C)CC)cc1 ZINC000088948760 184615055 /nfs/dbraw/zinc/61/50/55/184615055.db2.gz WPIFVFPFHQPPBT-CYBMUJFWSA-N 1 0 298.452 2.356 10 0 CEAERO CCN(CC(C)C)S(=O)(=O)Cc1ccc(C[NH2+]C)cc1 ZINC000088950159 184615188 /nfs/dbraw/zinc/61/51/88/184615188.db2.gz UMVIOVILLPLCRW-UHFFFAOYSA-N 1 0 298.452 2.214 10 0 CEAERO CCOC(=O)CC[NH2+][C@@H](C)c1ccc(F)c(OC)c1 ZINC000092825377 184630072 /nfs/dbraw/zinc/63/00/72/184630072.db2.gz IEYXLJMTEYUPCS-JTQLQIEISA-N 1 0 269.316 2.438 10 0 CEAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@H](Sc1cc(C)nn1C)C2 ZINC000092860766 184632754 /nfs/dbraw/zinc/63/27/54/184632754.db2.gz JDQCEWJRVZMXKK-UKRRQHHQSA-N 1 0 289.404 2.454 10 0 CEAERO COCCCS[C@H]1Cc2ccc(OC)cc2[C@H]1[NH3+] ZINC000092860814 184632352 /nfs/dbraw/zinc/63/23/52/184632352.db2.gz TXXHYPUAWGPPAG-UONOGXRCSA-N 1 0 267.394 2.389 10 0 CEAERO CC[NH2+][C@H]1c2cc(OC)ccc2C[C@H]1SC1COC1 ZINC000092861109 184632419 /nfs/dbraw/zinc/63/24/19/184632419.db2.gz XFAALZHPHUZXMJ-CABCVRRESA-N 1 0 279.405 2.403 10 0 CEAERO C1[NH2+]CC1c1nc(C23CC4CC(CC(C4)C2)C3)no1 ZINC000092699575 184621223 /nfs/dbraw/zinc/62/12/23/184621223.db2.gz OJWZWXAVYRVKBR-UHFFFAOYSA-N 1 0 259.353 2.224 10 0 CEAERO O=S1(=O)CCC[C@@]2(CC[NH2+]C[C@H]2Cc2ccccc2)C1 ZINC000092691425 184621229 /nfs/dbraw/zinc/62/12/29/184621229.db2.gz UAMZWQCMYOJOBM-HZPDHXFCSA-N 1 0 293.432 2.034 10 0 CEAERO Cc1ccc([C@@H]([C@@H](C)[NH3+])N(C)CC(C)(C)O)s1 ZINC000092958597 184638556 /nfs/dbraw/zinc/63/85/56/184638556.db2.gz SIEMOJVRPFIWRA-ZYHUDNBSSA-N 1 0 256.415 2.148 10 0 CEAERO CC(C)[C@H]1CCC(=O)[C@@H](C[N@H+](C)CC(C)(C)O)C1 ZINC000092982680 184640170 /nfs/dbraw/zinc/64/01/70/184640170.db2.gz SOPADYLNBFIQNW-QWHCGFSZSA-N 1 0 255.402 2.331 10 0 CEAERO O=C(CC[NH2+]C1CC(c2ccc(F)cc2)C1)NC1CC1 ZINC000092986490 184641352 /nfs/dbraw/zinc/64/13/52/184641352.db2.gz LSWVGHWMYOMJFH-UHFFFAOYSA-N 1 0 276.355 2.330 10 0 CEAERO COCC[NH2+]C[C@@H]1CCO[C@@H]1c1ccc(OC)c(F)c1 ZINC000092882588 184633416 /nfs/dbraw/zinc/63/34/16/184633416.db2.gz JCJPMOUVOGTCCW-SWLSCSKDSA-N 1 0 283.343 2.148 10 0 CEAERO COCc1nc(C[NH2+][C@@H]2CCS[C@H]2C)cs1 ZINC000381586085 542355018 /nfs/dbraw/zinc/35/50/18/542355018.db2.gz HOMNFYNSALAPSN-WCBMZHEXSA-N 1 0 258.412 2.273 10 0 CEAERO C[C@H]1[NH2+]CC[C@H]1C(=O)N(C)CCCc1ccccc1 ZINC000092951327 184637215 /nfs/dbraw/zinc/63/72/15/184637215.db2.gz TZJUXTWSLQYSIJ-UKRRQHHQSA-N 1 0 260.381 2.076 10 0 CEAERO CCn1nc(C)cc1CC1(c2cccc(F)c2)C[NH2+]C1 ZINC000093196639 184654850 /nfs/dbraw/zinc/65/48/50/184654850.db2.gz VHIPXSGWMCFYCX-UHFFFAOYSA-N 1 0 273.355 2.434 10 0 CEAERO Cc1ccc(C2(Cc3ncnn3CC(C)C)C[NH2+]C2)cc1 ZINC000093196122 184654866 /nfs/dbraw/zinc/65/48/66/184654866.db2.gz CYWGEMSDFOSKKT-UHFFFAOYSA-N 1 0 284.407 2.326 10 0 CEAERO COc1cc(N[C@H]2CCC[C@H]([NH3+])C2)cc(OC)c1OC ZINC000093209457 184655860 /nfs/dbraw/zinc/65/58/60/184655860.db2.gz PMWZRWYCWQNNJF-QWRGUYRKSA-N 1 0 280.368 2.394 10 0 CEAERO COC(=O)[C@H](C)[C@H](C)[N@H+](C)Cc1cccc(OC)c1 ZINC000093036628 184644079 /nfs/dbraw/zinc/64/40/79/184644079.db2.gz WYYRVPPGOLDMRT-NEPJUHHUSA-N 1 0 265.353 2.325 10 0 CEAERO CC[NH2+][C@@H]1c2c(F)ccc(F)c2S(=O)(=O)[C@H](C)[C@@H]1C ZINC000093038156 184644561 /nfs/dbraw/zinc/64/45/61/184644561.db2.gz HFAPJSWMJQPDAT-SXMVTHIZSA-N 1 0 289.347 2.427 10 0 CEAERO CCCn1ncnc1C[C@@H](C[NH2+]C)c1ccc(F)cc1 ZINC000093149019 184652221 /nfs/dbraw/zinc/65/22/21/184652221.db2.gz QOBFBKOUGNVAGI-ZDUSSCGKSA-N 1 0 276.359 2.373 10 0 CEAERO C[NH2+]C[C@H](CCOCCOC)c1ccc(F)cc1 ZINC000093148926 184652229 /nfs/dbraw/zinc/65/22/29/184652229.db2.gz QOKVVLBHBRGCDO-ZDUSSCGKSA-N 1 0 255.333 2.182 10 0 CEAERO CC(C)[NH2+]C[C@H](c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000093152039 184652245 /nfs/dbraw/zinc/65/22/45/184652245.db2.gz UBGDLLIFNYCFIC-UKRRQHHQSA-N 1 0 299.411 2.342 10 0 CEAERO C[C@H](Cc1cccs1)N(C)C(=O)[C@]1(C)CC[NH2+]C1 ZINC000093272192 184659921 /nfs/dbraw/zinc/65/99/21/184659921.db2.gz RCPIYSDVRAABLT-BXUZGUMPSA-N 1 0 266.410 2.137 10 0 CEAERO CC(=O)Nc1ccc(F)c(N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000093211137 184656151 /nfs/dbraw/zinc/65/61/51/184656151.db2.gz BFBKVWNVMJSWNW-MNOVXSKESA-N 1 0 265.332 2.466 10 0 CEAERO C[C@@H](NC(=O)C[NH+](C)C)c1cccc(Br)c1 ZINC000170752893 533070586 /nfs/dbraw/zinc/07/05/86/533070586.db2.gz HENUHLSLVYMIFY-SECBINFHSA-N 1 0 285.185 2.188 10 0 CEAERO CC(C)[C@@H]1CC[C@H](S(=O)(=O)C(C)C)[C@@H](C[NH3+])C1 ZINC000725266043 542374384 /nfs/dbraw/zinc/37/43/84/542374384.db2.gz QFOVWOMIWVVGFS-UPJWGTAASA-N 1 0 261.431 2.209 10 0 CEAERO C[C@@H](COCc1ccccc1)[NH2+]Cc1cn(C)cn1 ZINC000390548421 542374081 /nfs/dbraw/zinc/37/40/81/542374081.db2.gz AFYISBKLNGQMBO-ZDUSSCGKSA-N 1 0 259.353 2.115 10 0 CEAERO C[C@@H]1CCCN(c2ccnc3cccnc32)[C@@H]1C[NH3+] ZINC000341015977 296401249 /nfs/dbraw/zinc/40/12/49/296401249.db2.gz NGRRVNLWANSXSP-BXUZGUMPSA-N 1 0 256.353 2.193 10 0 CEAERO CN1C(=[NH2+])NC[C@@]1(C)c1ccc(C(F)(F)F)cc1 ZINC000093357570 184667503 /nfs/dbraw/zinc/66/75/03/184667503.db2.gz DCUAEIXAULCSEH-NSHDSACASA-N 1 0 257.259 2.181 10 0 CEAERO C[C@@H]1C[C@]2(C[NH+]=C(N)N2c2ccc(Cl)cc2)CCO1 ZINC000093390421 184670229 /nfs/dbraw/zinc/67/02/29/184670229.db2.gz UMFQVXPDZXHCBS-YGRLFVJLSA-N 1 0 279.771 2.412 10 0 CEAERO CCOc1ccc([C@@H](C)[NH2+]C)cc1CS(=O)(=O)CC ZINC000081957541 177907599 /nfs/dbraw/zinc/90/75/99/177907599.db2.gz BRXOXFRVKNJANX-LLVKDONJSA-N 1 0 285.409 2.300 10 0 CEAERO CC[NH2+][C@@H](C)[C@H](C)S(=O)(=O)c1cc(F)ccc1F ZINC000081945951 177907188 /nfs/dbraw/zinc/90/71/88/177907188.db2.gz MARVMMYXUPROTK-IUCAKERBSA-N 1 0 277.336 2.125 10 0 CEAERO C[NH2+][C@H](CS(=O)(=O)CC(C)C)c1ccc(OC)cc1 ZINC000081928357 177899840 /nfs/dbraw/zinc/89/98/40/177899840.db2.gz KCZCWCSKTCOFNU-CQSZACIVSA-N 1 0 285.409 2.027 10 0 CEAERO CCC[NH2+][C@H](C)[C@@H](C)S(=O)(=O)c1ccc(OC)cc1 ZINC000081923164 177896655 /nfs/dbraw/zinc/89/66/55/177896655.db2.gz HCJMETWYJPTGSM-VXGBXAGGSA-N 1 0 285.409 2.246 10 0 CEAERO Cc1ccc(S(=O)(=O)CCC[C@@H](C)[NH3+])cc1C ZINC000081921856 177895119 /nfs/dbraw/zinc/89/51/19/177895119.db2.gz NOBDRRYOYRVZEB-GFCCVEGCSA-N 1 0 255.383 2.205 10 0 CEAERO CC[NH2+][C@@H](C)CCS(=O)(=O)c1ccc(C)cc1 ZINC000081920909 177895135 /nfs/dbraw/zinc/89/51/35/177895135.db2.gz QSQMOFALXXZICA-LBPRGKRZSA-N 1 0 255.383 2.157 10 0 CEAERO Cc1ccc(S(=O)(=O)CCC[NH2+]C2CC2)cc1C ZINC000081921893 177895076 /nfs/dbraw/zinc/89/50/76/177895076.db2.gz QAGJGSNULXDJLM-UHFFFAOYSA-N 1 0 267.394 2.219 10 0 CEAERO CCC[NH2+][C@@H]1CCOC[C@@H]1SC1CCOCC1 ZINC000081892098 177879385 /nfs/dbraw/zinc/87/93/85/177879385.db2.gz DOGFGONTUBXWOG-OLZOCXBDSA-N 1 0 259.415 2.056 10 0 CEAERO C[NH2+][C@@H](CSCC(=O)OC)c1ccccc1C ZINC000081791723 177860381 /nfs/dbraw/zinc/86/03/81/177860381.db2.gz YBLXTBFFDTWDLS-LBPRGKRZSA-N 1 0 253.367 2.162 10 0 CEAERO COc1ccc([C@@H](O)C[C@@H]2CCCC[NH2+]2)c(OC)c1 ZINC000093517090 184687119 /nfs/dbraw/zinc/68/71/19/184687119.db2.gz SKCDDKGMWYDEBR-FZMZJTMJSA-N 1 0 265.353 2.269 10 0 CEAERO Fc1ccc(-c2noc(CC3C[NH2+]C3)n2)c(Cl)c1 ZINC000081767709 177855514 /nfs/dbraw/zinc/85/55/14/177855514.db2.gz PEYMJNLUVJDHQY-UHFFFAOYSA-N 1 0 267.691 2.291 10 0 CEAERO CC(C)(C)C(=[NH2+])N1CCn2c(nnc2C(F)(F)F)C1 ZINC000081529934 177808171 /nfs/dbraw/zinc/80/81/71/177808171.db2.gz MRBQPUYGWZGWEJ-UHFFFAOYSA-N 1 0 275.278 2.136 10 0 CEAERO COCC1CCN(c2nc([C@H](C)[NH3+])cs2)CC1 ZINC000080832151 177713444 /nfs/dbraw/zinc/71/34/44/177713444.db2.gz LAPKWWNZCBULFM-VIFPVBQESA-N 1 0 255.387 2.026 10 0 CEAERO CCC[NH2+][C@H](CC)Cc1nc([C@H](C)OCC)no1 ZINC000080744889 177697365 /nfs/dbraw/zinc/69/73/65/177697365.db2.gz GJIIJCHMGPHKRM-WDEREUQCSA-N 1 0 255.362 2.488 10 0 CEAERO CCC(CC)NC(=O)Cn1ccc2c1cccc2C[NH3+] ZINC000080335185 177643014 /nfs/dbraw/zinc/64/30/14/177643014.db2.gz BYKHAWINRKFQBW-UHFFFAOYSA-N 1 0 273.380 2.405 10 0 CEAERO CC[C@H](NC(=O)C[C@H]1CCC[NH2+]C1)c1nccs1 ZINC000080268977 177634047 /nfs/dbraw/zinc/63/40/47/177634047.db2.gz NLQMVSBOYTVQAV-MNOVXSKESA-N 1 0 267.398 2.100 10 0 CEAERO CC(C)[NH2+][C@]1(C(=O)[O-])CC[C@H]([NH+]2CCC(C)CC2)C1 ZINC000093822867 184726073 /nfs/dbraw/zinc/72/60/73/184726073.db2.gz MYEGPJYKQRJMLE-DZGCQCFKSA-N 1 0 268.401 2.092 10 0 CEAERO CN(C)c1nnc(SCC[C@@H]2CCC[C@H]2[NH3+])s1 ZINC000093577831 184691885 /nfs/dbraw/zinc/69/18/85/184691885.db2.gz RCGVFCNLCWSDFC-DTWKUNHWSA-N 1 0 272.443 2.214 10 0 CEAERO CCC[NH2+][C@]1(CO)CCC[C@@H]1CCOCC(F)(F)F ZINC000093620729 184697333 /nfs/dbraw/zinc/69/73/33/184697333.db2.gz WMVAGJDCZOTRKP-NEPJUHHUSA-N 1 0 283.334 2.486 10 0 CEAERO CC[NH2+][C@]1(CO)CCC[C@@H]1CCSc1cnn(C)c1 ZINC000093623239 184697810 /nfs/dbraw/zinc/69/78/10/184697810.db2.gz LTFLGGFAIFKPEU-OCCSQVGLSA-N 1 0 283.441 2.043 10 0 CEAERO C[NH2+][C@]1(CO)CCC[C@@H]1CCSc1nc(C)cc(C)n1 ZINC000093622064 184697968 /nfs/dbraw/zinc/69/79/68/184697968.db2.gz LQPFJRPTAZIPJD-HIFRSBDPSA-N 1 0 295.452 2.326 10 0 CEAERO CC[NH2+][C@]1(C(N)=O)CCC[C@H]1CCOc1cccc(F)c1 ZINC000093625081 184698185 /nfs/dbraw/zinc/69/81/85/184698185.db2.gz OWNYTYDURSCIGD-BLLLJJGKSA-N 1 0 294.370 2.228 10 0 CEAERO Cc1c([C@H](C[NH3+])N(C)c2cc(C)cc(C)c2)cnn1C ZINC000093650723 184702810 /nfs/dbraw/zinc/70/28/10/184702810.db2.gz UCTULUPPDLCZCO-INIZCTEOSA-N 1 0 272.396 2.482 10 0 CEAERO CCN(c1ccccc1F)[C@H](C[NH3+])c1cnn(C)c1C ZINC000093650740 184703001 /nfs/dbraw/zinc/70/30/01/184703001.db2.gz PXSNOJFYFYREFC-OAHLLOKOSA-N 1 0 276.359 2.394 10 0 CEAERO CC[NH+](CC)[C@H]1CCN(c2ccc([C@@H](C)O)c(O)c2)C1 ZINC000093672608 184704115 /nfs/dbraw/zinc/70/41/15/184704115.db2.gz WDINGMDBAUAJMQ-OCCSQVGLSA-N 1 0 278.396 2.366 10 0 CEAERO O=C([O-])[C@@]1([NH2+]C2CC2)CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000093748891 184712859 /nfs/dbraw/zinc/71/28/59/184712859.db2.gz KNTHYCSWXWZVGR-GOEBONIOSA-N 1 0 280.412 2.380 10 0 CEAERO CN[C@]1(C(=O)OC)CCC[C@@H]([NH+]2Cc3ccccc3C2)C1 ZINC000093753026 184714024 /nfs/dbraw/zinc/71/40/24/184714024.db2.gz UBTJEVOESZNDGP-NVXWUHKLSA-N 1 0 288.391 2.076 10 0 CEAERO CC(C)[NH2+][C@]1(CO)CCC[C@@H](Oc2ccc(CO)cc2)C1 ZINC000093784691 184722185 /nfs/dbraw/zinc/72/21/85/184722185.db2.gz CIPVGWJYCGOYJT-IAGOWNOFSA-N 1 0 293.407 2.229 10 0 CEAERO Cc1nc(S[C@@H]2CCC[C@@]([NH3+])(CO)C2)nc(C)c1C ZINC000093787403 184722746 /nfs/dbraw/zinc/72/27/46/184722746.db2.gz ZDTFOXNOWAAIGE-OCCSQVGLSA-N 1 0 281.425 2.126 10 0 CEAERO CC[NH2+][C@H](CCc1cccs1)[C@@H]1CN(CC)CCO1 ZINC000093914542 184741549 /nfs/dbraw/zinc/74/15/49/184741549.db2.gz JJVOSEFABHSSJN-CABCVRRESA-N 1 0 282.453 2.380 10 0 CEAERO CCC[NH2+][C@@H](CC1CCC1)[C@@H]1CN(CC)CCO1 ZINC000093915173 184741986 /nfs/dbraw/zinc/74/19/86/184741986.db2.gz PZJMMOOUBZIJFD-GJZGRUSLSA-N 1 0 254.418 2.266 10 0 CEAERO CCC[NH2+][C@H](c1ccc(OC)cc1)[C@H]1CN(CC)CCO1 ZINC000093915504 184742428 /nfs/dbraw/zinc/74/24/28/184742428.db2.gz TUQXUDKKMABWGU-IAGOWNOFSA-N 1 0 292.423 2.457 10 0 CEAERO CC1(C)C([NH3+])C(C)(C)C1NC(=O)Cc1cccs1 ZINC000094006108 184749070 /nfs/dbraw/zinc/74/90/70/184749070.db2.gz ROAWDUYJWKZQAD-UHFFFAOYSA-N 1 0 266.410 2.169 10 0 CEAERO CCCN(CC1CC[NH2+]CC1)C(=O)N(CC)CC ZINC000094023615 184750937 /nfs/dbraw/zinc/75/09/37/184750937.db2.gz KTZWJFZLBKFFNY-UHFFFAOYSA-N 1 0 255.406 2.160 10 0 CEAERO CCCN(CC1CC[NH2+]CC1)c1nc(C)cc(C)n1 ZINC000094043941 184752169 /nfs/dbraw/zinc/75/21/69/184752169.db2.gz AHXVMLVNLOAKJB-UHFFFAOYSA-N 1 0 262.401 2.309 10 0 CEAERO CC[C@@H](c1nc(-c2ccc(F)cn2)no1)[C@@H](C)[NH2+]C ZINC000094051207 184752654 /nfs/dbraw/zinc/75/26/54/184752654.db2.gz RZEJKQFRYKTZBB-PSASIEDQSA-N 1 0 264.304 2.372 10 0 CEAERO COc1ccc(C(=O)N[C@@]2(C[NH3+])CCC[C@@H](C)C2)cc1O ZINC000094067401 184753235 /nfs/dbraw/zinc/75/32/35/184753235.db2.gz RKGPELWEYQTDGW-BZNIZROVSA-N 1 0 292.379 2.038 10 0 CEAERO CCc1ccc(C[C@H]([NH3+])[C@](C)(CC)N2CCOCC2)nc1 ZINC000094138083 184755573 /nfs/dbraw/zinc/75/55/73/184755573.db2.gz ZCPPQQSMCLVIAB-IRXDYDNUSA-N 1 0 291.439 2.015 10 0 CEAERO COc1ccc2c(c1)[C@@]([NH3+])(Cc1nccn1C)CCC2 ZINC000094143391 184756497 /nfs/dbraw/zinc/75/64/97/184756497.db2.gz YGHFAHPHGAFXEH-INIZCTEOSA-N 1 0 271.364 2.162 10 0 CEAERO C[NH2+][C@H](CSc1ccccc1F)Cc1nccn1C ZINC000094162411 184757260 /nfs/dbraw/zinc/75/72/60/184757260.db2.gz JPPHCCHMIDBTFG-NSHDSACASA-N 1 0 279.384 2.482 10 0 CEAERO CCCn1c2ccc([C@H]([NH3+])[C@H]3CCO[C@@H]3C)cc2oc1=O ZINC000094176956 184759459 /nfs/dbraw/zinc/75/94/59/184759459.db2.gz OFWYYFFWOJIEIR-GMXABZIVSA-N 1 0 290.363 2.429 10 0 CEAERO CC[C@@](C)([NH3+])C(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000094234813 184767336 /nfs/dbraw/zinc/76/73/36/184767336.db2.gz JSDNNAADADRPIT-OAHLLOKOSA-N 1 0 264.344 2.444 10 0 CEAERO Cc1cscc1-c1nc([C@H](C)N2CC[NH2+]CC2)no1 ZINC000094249223 184769957 /nfs/dbraw/zinc/76/99/57/184769957.db2.gz DMDBCMQDVVQZQY-JTQLQIEISA-N 1 0 278.381 2.073 10 0 CEAERO CC[NH2+][C@H]1[C@H](N2CCn3ccnc3C2)CCCC1(C)C ZINC000094275442 184774347 /nfs/dbraw/zinc/77/43/47/184774347.db2.gz FSTZUYYAQLHLKI-HIFRSBDPSA-N 1 0 276.428 2.256 10 0 CEAERO CCN(Cc1ccc(OC)c(F)c1)C(=O)CC1([NH3+])CCC1 ZINC000094294387 184777169 /nfs/dbraw/zinc/77/71/69/184777169.db2.gz TVCRXVPHWLRPQD-UHFFFAOYSA-N 1 0 294.370 2.454 10 0 CEAERO Cc1nnc(-c2ccccc2NC(=O)CC2([NH3+])CCC2)o1 ZINC000094293749 184777346 /nfs/dbraw/zinc/77/73/46/184777346.db2.gz GYLXIHSEKWRBHR-UHFFFAOYSA-N 1 0 286.335 2.255 10 0 CEAERO CC1(C)CCC[C@](C[NH3+])(CCOCC(F)(F)F)[C@@H]1O ZINC000094320586 184779863 /nfs/dbraw/zinc/77/98/63/184779863.db2.gz JGCHZVQITDDPJW-ZYHUDNBSSA-N 1 0 283.334 2.472 10 0 CEAERO Cc1ncn(-c2nc(C(F)(F)F)ccc2C[NH3+])c1C ZINC000094334388 184782281 /nfs/dbraw/zinc/78/22/81/184782281.db2.gz MNKDMVVBGNCDFX-UHFFFAOYSA-N 1 0 270.258 2.362 10 0 CEAERO C[NH2+]Cc1cc(F)c(O[C@@H]2CCCC[C@@H]2O)c(F)c1 ZINC000094346384 184786097 /nfs/dbraw/zinc/78/60/97/184786097.db2.gz RAILBCPFBZIZRR-QWHCGFSZSA-N 1 0 271.307 2.367 10 0 CEAERO [NH3+]C[C@@]1(O[C@@H]2CCOC3(CCCCC3)C2)CCCOC1 ZINC000094362016 184789221 /nfs/dbraw/zinc/78/92/21/184789221.db2.gz IICLQWMSPCWTDG-ZBFHGGJFSA-N 1 0 283.412 2.393 10 0 CEAERO C[NH2+]Cc1cccc(O[C@@H]2CCO[C@@]3(CCOC3)C2)c1 ZINC000094363688 184789307 /nfs/dbraw/zinc/78/93/07/184789307.db2.gz ASGQWSJOPXLCIV-CVEARBPZSA-N 1 0 277.364 2.123 10 0 CEAERO c1cc(CC[NH2+][C@H]2CCO[C@]3(CCOC3)C2)cs1 ZINC000094369663 184790512 /nfs/dbraw/zinc/79/05/12/184790512.db2.gz WBFMJBVGZKPDOM-UONOGXRCSA-N 1 0 267.394 2.218 10 0 CEAERO CC(C)[C@@H](CO)[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000094374990 184790613 /nfs/dbraw/zinc/79/06/13/184790613.db2.gz QPIAUNAJTVKOHM-CHWSQXEVSA-N 1 0 273.442 2.038 10 0 CEAERO CC[NH2+]Cc1ncnn1[C@@H]1CCOC2(CCCCC2)C1 ZINC000094412772 184794232 /nfs/dbraw/zinc/79/42/32/184794232.db2.gz YLCCNQAIPNKAAN-CYBMUJFWSA-N 1 0 278.400 2.442 10 0 CEAERO COC(=O)CC[N@H+](C)[C@H]1CCOC2(CCCCC2)C1 ZINC000094410719 184794665 /nfs/dbraw/zinc/79/46/65/184794665.db2.gz DNYAPQRDTHUNJG-ZDUSSCGKSA-N 1 0 269.385 2.363 10 0 CEAERO CC(C)(C)[NH2+]Cc1cn([C@@H]2CCOC3(CCC3)C2)nn1 ZINC000094419110 184794962 /nfs/dbraw/zinc/79/49/62/184794962.db2.gz CENPDEDEIABQTP-CYBMUJFWSA-N 1 0 278.400 2.440 10 0 CEAERO Cc1cc(F)c([C@H](C)[NH2+]CCN2CCOCC2)cc1F ZINC000094735992 184848872 /nfs/dbraw/zinc/84/88/72/184848872.db2.gz YSUWVKDYMRZNAL-LBPRGKRZSA-N 1 0 284.350 2.256 10 0 CEAERO CN(Cc1ccco1)C(=O)[C@H]1CCCCC[C@H]1[NH3+] ZINC000094749888 184852557 /nfs/dbraw/zinc/85/25/57/184852557.db2.gz YYCOVWVXUVWAMX-QWHCGFSZSA-N 1 0 250.342 2.146 10 0 CEAERO CC(C)n1cc(NC(=O)[C@@H]2CCCCC[C@H]2[NH3+])cn1 ZINC000094753548 184853030 /nfs/dbraw/zinc/85/30/30/184853030.db2.gz UJKJUFDSLFQBCN-CHWSQXEVSA-N 1 0 264.373 2.310 10 0 CEAERO C[C@@]1(c2noc(CC[C@@H]3CCC[NH2+]C3)n2)CCCO1 ZINC000094780823 184861825 /nfs/dbraw/zinc/86/18/25/184861825.db2.gz JKDAAQXSVFQGPC-FZMZJTMJSA-N 1 0 265.357 2.027 10 0 CEAERO CC(C)CN(C(=O)[C@@]1(C)CC[NH2+]C1)C1CCCC1 ZINC000094847325 184879836 /nfs/dbraw/zinc/87/98/36/184879836.db2.gz IIYJYUPDWKMRGE-HNNXBMFYSA-N 1 0 252.402 2.413 10 0 CEAERO CC[NH2+]Cc1cn(C)nc1-c1cc(F)cc(F)c1 ZINC000094831886 184878236 /nfs/dbraw/zinc/87/82/36/184878236.db2.gz HZQZXCKTMUTNEO-UHFFFAOYSA-N 1 0 251.280 2.475 10 0 CEAERO CC1(C)CCSC[C@@H]1[NH2+]CCC(=O)N1CCCC1 ZINC000094481774 184808462 /nfs/dbraw/zinc/80/84/62/184808462.db2.gz ATILJMKLIOXYAV-LBPRGKRZSA-N 1 0 270.442 2.120 10 0 CEAERO CCOC(=O)CCC[NH2+][C@@H]1CSCCC1(C)C ZINC000094483766 184808517 /nfs/dbraw/zinc/80/85/17/184808517.db2.gz HGFCYMSUKYZINN-LLVKDONJSA-N 1 0 259.415 2.451 10 0 CEAERO CCOC(=O)C[C@]1([NH+](C)C)CSCC(C)(C)C1 ZINC000094491538 184809940 /nfs/dbraw/zinc/80/99/40/184809940.db2.gz SBXCYBFVKRCUFY-CYBMUJFWSA-N 1 0 259.415 2.403 10 0 CEAERO CCC[NH2+][C@H](CC1CCCCC1)[C@@H]1CN2CCN1CC2 ZINC000094510801 184812891 /nfs/dbraw/zinc/81/28/91/184812891.db2.gz SXDHFKXBZLZJKV-SJORKVTESA-N 1 0 279.472 2.325 10 0 CEAERO C[NH2+]CCc1cn(C[C@@H]2Cc3ccccc3S2)cn1 ZINC000094529651 184814434 /nfs/dbraw/zinc/81/44/34/184814434.db2.gz JVMGEECCEGJMHC-AWEZNQCLSA-N 1 0 273.405 2.362 10 0 CEAERO Cc1ccn2nc(N[C@@H](C[NH+](C)C)C(C)C)nc2c1 ZINC000094604315 184825009 /nfs/dbraw/zinc/82/50/09/184825009.db2.gz YJSXKXLMAVDLSG-LBPRGKRZSA-N 1 0 261.373 2.036 10 0 CEAERO Cc1cccc2nc(N3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)nn21 ZINC000094607468 184825640 /nfs/dbraw/zinc/82/56/40/184825640.db2.gz BTOAYXCQFWSSHM-KGLIPLIRSA-N 1 0 285.395 2.006 10 0 CEAERO CC(C)N(CC(F)(F)F)C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000094647836 184834297 /nfs/dbraw/zinc/83/42/97/184834297.db2.gz CSAQHPGYEPMAAZ-NXEZZACHSA-N 1 0 266.307 2.174 10 0 CEAERO C[NH2+][C@@H](c1cccnc1)c1cc(OC)cc(OC)c1 ZINC000094650877 184835205 /nfs/dbraw/zinc/83/52/05/184835205.db2.gz NBEWXKXVKNJSJH-HNNXBMFYSA-N 1 0 258.321 2.408 10 0 CEAERO COCC[NH2+][C@H](C)[C@@H](C)Cc1ccccc1OC ZINC000094656115 184836073 /nfs/dbraw/zinc/83/60/73/184836073.db2.gz YBTKOUTXKAVXBW-QWHCGFSZSA-N 1 0 251.370 2.498 10 0 CEAERO Cc1ccc(F)c(C(=O)N[C@@H]2CC[C@H](C)[NH2+][C@@H]2C)c1 ZINC000094665562 184836818 /nfs/dbraw/zinc/83/68/18/184836818.db2.gz LEVQGGMMVBKOIJ-MISXGVKJSA-N 1 0 264.344 2.393 10 0 CEAERO COC(=O)c1ccc(NC(=O)[C@H](C[NH3+])CC(C)C)c(C)c1 ZINC000094698023 184841393 /nfs/dbraw/zinc/84/13/93/184841393.db2.gz MFLZVKFGTPFXQY-ZDUSSCGKSA-N 1 0 292.379 2.341 10 0 CEAERO CC(C)C[C@H](C[NH3+])C(=O)N(Cc1ccccn1)C(C)C ZINC000094698772 184842721 /nfs/dbraw/zinc/84/27/21/184842721.db2.gz QIMGMKXNULQPFR-CQSZACIVSA-N 1 0 277.412 2.440 10 0 CEAERO C[C@H]1CCC[NH2+][C@@H]1CNC(=O)Cc1cccc(F)c1F ZINC000094712178 184845907 /nfs/dbraw/zinc/84/59/07/184845907.db2.gz AOAWZXMMXLMLAB-GXFFZTMASA-N 1 0 282.334 2.012 10 0 CEAERO CC(C)N(CC1CC[NH2+]CC1)c1ccc2nccnc2n1 ZINC000094726662 184847409 /nfs/dbraw/zinc/84/74/09/184847409.db2.gz MIROBRAXJURZDA-UHFFFAOYSA-N 1 0 285.395 2.239 10 0 CEAERO CCOc1ccc(NC(=O)CC[C@@H]2CCCC[NH2+]2)cn1 ZINC000094988891 184911075 /nfs/dbraw/zinc/91/10/75/184911075.db2.gz QUCHWPNZMVWAOO-LBPRGKRZSA-N 1 0 277.368 2.341 10 0 CEAERO COc1ncccc1COc1ccc(C)cc1CC[NH3+] ZINC000095009927 184914509 /nfs/dbraw/zinc/91/45/09/184914509.db2.gz CWIPWXKCOZJILH-UHFFFAOYSA-N 1 0 272.348 2.479 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@H](C2CC2)CN1Cc1cccnc1OC ZINC000095011663 184915353 /nfs/dbraw/zinc/91/53/53/184915353.db2.gz CSQGDXBXVOFSOP-RDJZCZTQSA-N 1 0 289.423 2.443 10 0 CEAERO CCC[NH2+]CCCc1nnc(C[C@@H](C)COC)s1 ZINC000095038423 184921127 /nfs/dbraw/zinc/92/11/27/184921127.db2.gz VBHLPWXHNKJIRG-LLVKDONJSA-N 1 0 271.430 2.295 10 0 CEAERO CCCN(CCC[NH3+])C(=O)Cc1ccc(F)c(F)c1 ZINC000095045277 184923317 /nfs/dbraw/zinc/92/33/17/184923317.db2.gz LSWDEERDALIJHN-UHFFFAOYSA-N 1 0 270.323 2.095 10 0 CEAERO C[NH2+]Cc1cccc(NC(=O)c2n[nH]c(C(C)(C)C)n2)c1 ZINC000095045125 184923464 /nfs/dbraw/zinc/92/34/64/184923464.db2.gz ZMJYEZUDBAUUET-UHFFFAOYSA-N 1 0 287.367 2.074 10 0 CEAERO C[C@@H]1CCC[C@@H](C[NH3+])N1C(=O)Cc1ccc(F)c(F)c1 ZINC000095046407 184923873 /nfs/dbraw/zinc/92/38/73/184923873.db2.gz ZMNQEHCECBXCNJ-PWSUYJOCSA-N 1 0 282.334 2.236 10 0 CEAERO O=[S@@](C[C@@H]1CC[NH2+]C1)c1nc2ccccc2nc1Cl ZINC000095069783 184931136 /nfs/dbraw/zinc/93/11/36/184931136.db2.gz NTQOQBGTCPXFMI-AYLIAGHASA-N 1 0 295.795 2.000 10 0 CEAERO CN(C[C@@H]1CCCC[NH2+]1)c1cnc2ccccc2n1 ZINC000095070832 184932773 /nfs/dbraw/zinc/93/27/73/184932773.db2.gz YODSZDFSPUXHFB-LBPRGKRZSA-N 1 0 256.353 2.208 10 0 CEAERO CC(C)(C)OC(=O)Nc1cncnc1C[NH2+]C1CC1 ZINC000095087062 184938669 /nfs/dbraw/zinc/93/86/69/184938669.db2.gz MLFRZYODEMKISM-UHFFFAOYSA-N 1 0 264.329 2.076 10 0 CEAERO CCc1ccsc1C[NH2+]CCCC(=O)N(C)C ZINC000094880790 184886043 /nfs/dbraw/zinc/88/60/43/184886043.db2.gz AMZMEWRLPMSGKL-UHFFFAOYSA-N 1 0 254.399 2.269 10 0 CEAERO Cc1cscc1CNC(=O)CC1([NH3+])CCCC1 ZINC000094877560 184886595 /nfs/dbraw/zinc/88/65/95/184886595.db2.gz DNLNBWCKSGTZIJ-UHFFFAOYSA-N 1 0 252.383 2.334 10 0 CEAERO CCOCCC[NH2+]C[C@@H](C)N(C)Cc1cccc(C)n1 ZINC000094927829 184895017 /nfs/dbraw/zinc/89/50/17/184895017.db2.gz BDKAHRXBUFDZOJ-OAHLLOKOSA-N 1 0 279.428 2.227 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)CCCC[NH3+])cc1F ZINC000094956355 184903468 /nfs/dbraw/zinc/90/34/68/184903468.db2.gz KYTLXDIHNQJEAV-LLVKDONJSA-N 1 0 252.333 2.440 10 0 CEAERO Cc1ccc([C@@H](C)N2C[C@H](C[NH3+])CC2=O)cc1F ZINC000094963209 184906054 /nfs/dbraw/zinc/90/60/54/184906054.db2.gz VSHTWDWCLJHEFE-MNOVXSKESA-N 1 0 250.317 2.002 10 0 CEAERO O[C@H]1CCCC[C@H]1[N@@H+]1CCOc2cccc(F)c2C1 ZINC000334612466 285363496 /nfs/dbraw/zinc/36/34/96/285363496.db2.gz MIETULBKRFRZBI-KGLIPLIRSA-N 1 0 265.328 2.324 10 0 CEAERO C[C@H]1CN(Cc2ccc(Cl)nc2)C[C@H]1[NH+](C)C ZINC000251768691 131131247 /nfs/dbraw/zinc/13/12/47/131131247.db2.gz MGBKHROIYDKQEC-CMPLNLGQSA-N 1 0 253.777 2.117 10 0 CEAERO Cc1ccc(CN(C)C(=O)C[C@@H]2CCC[C@H]2[NH3+])o1 ZINC000261828840 131171830 /nfs/dbraw/zinc/17/18/30/131171830.db2.gz OPYXAYMQZPNRDQ-WCQYABFASA-N 1 0 250.342 2.064 10 0 CEAERO CCOc1cc(Cl)ccc1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261965457 131180111 /nfs/dbraw/zinc/18/01/11/131180111.db2.gz LHVFIVWOWQJQKZ-PWSUYJOCSA-N 1 0 298.770 2.184 10 0 CEAERO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](CCOC)c1ccc(C)o1 ZINC000262113724 131192200 /nfs/dbraw/zinc/19/22/00/131192200.db2.gz HXAWYVUUTNDCGG-SUHUHFCYSA-N 1 0 282.384 2.155 10 0 CEAERO Cc1cc([C@H](NC(=O)[C@@H](C)[NH3+])C2CC2)ccc1F ZINC000262694654 131251976 /nfs/dbraw/zinc/25/19/76/131251976.db2.gz CJOFIMVAWDSIQE-NOZJJQNGSA-N 1 0 250.317 2.049 10 0 CEAERO [NH3+]CC[C@H]1CCCCN1c1nccc(C(F)(F)F)n1 ZINC000081587132 134499573 /nfs/dbraw/zinc/49/95/73/134499573.db2.gz IBPBHMLIUGESIS-SECBINFHSA-N 1 0 274.290 2.203 10 0 CEAERO CC(C)[NH2+]Cc1ccccc1N1CCC(CC(N)=O)CC1 ZINC000042438300 134894203 /nfs/dbraw/zinc/89/42/03/134894203.db2.gz QVTPQRAIIDJRNY-UHFFFAOYSA-N 1 0 289.423 2.276 10 0 CEAERO COc1cncc(N2CCCC[C@@H]2C[NH2+]C(C)(C)C)n1 ZINC000071176906 134960068 /nfs/dbraw/zinc/96/00/68/134960068.db2.gz ZBBSAXABRGMHPT-GFCCVEGCSA-N 1 0 278.400 2.232 10 0 CEAERO CC[C@H]1C[NH2+]CCN1c1ccc(C(F)(F)F)cn1 ZINC000083431694 135020971 /nfs/dbraw/zinc/02/09/71/135020971.db2.gz HDDZITNYCLKKKQ-JTQLQIEISA-N 1 0 259.275 2.289 10 0 CEAERO C[C@@H]1CCCN(c2nc(NN)[nH+]cc2Cl)[C@@H]1C ZINC000087869093 135052025 /nfs/dbraw/zinc/05/20/25/135052025.db2.gz UHEATKNXGAMYMN-HTQZYQBOSA-N 1 0 255.753 2.040 10 0 CEAERO CN1CCN(CC2(CC(N)=[NH2+])CC2)c2ccccc21 ZINC000088258682 135053695 /nfs/dbraw/zinc/05/36/95/135053695.db2.gz LANKQRILICYZJO-UHFFFAOYSA-N 1 0 258.369 2.049 10 0 CEAERO [NH3+]Cc1ccc(N2CCC[C@@H](C(F)(F)F)C2)nc1 ZINC000088416158 135054193 /nfs/dbraw/zinc/05/41/93/135054193.db2.gz LIZNUIXPZJSHCO-SNVBAGLBSA-N 1 0 259.275 2.319 10 0 CEAERO CCc1cc(N2CCCC[C@H]2CC[NH2+]C)nc(C)n1 ZINC000088760666 135056943 /nfs/dbraw/zinc/05/69/43/135056943.db2.gz 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ZINC000091473660 135070387 /nfs/dbraw/zinc/07/03/87/135070387.db2.gz GHMYBFLZLBDFSG-UHFFFAOYSA-N 1 0 271.817 2.396 10 0 CEAERO C[NH2+]C[C@H](C)[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC000093068323 135078978 /nfs/dbraw/zinc/07/89/78/135078978.db2.gz LCVDUGBUOAOYIC-LSDHHAIUSA-N 1 0 261.413 2.053 10 0 CEAERO CCC[NH2+]C[C@H](C)[C@H](C)N1CCN(c2ccccn2)CC1 ZINC000093068418 135079009 /nfs/dbraw/zinc/07/90/09/135079009.db2.gz GMYGNXGAXCRMJE-HOTGVXAUSA-N 1 0 290.455 2.228 10 0 CEAERO CCO[C@@H]1CCCN(c2cccc(F)c2C(N)=[NH2+])C1 ZINC000093408835 135080965 /nfs/dbraw/zinc/08/09/65/135080965.db2.gz CYBQXGCSUHUTBP-SNVBAGLBSA-N 1 0 265.332 2.115 10 0 CEAERO CC[C@](C)([NH3+])C(=O)N1CCSc2ccccc21 ZINC000094236989 135084420 /nfs/dbraw/zinc/08/44/20/135084420.db2.gz LSISMQPCBFBTPD-ZDUSSCGKSA-N 1 0 250.367 2.253 10 0 CEAERO C[C@H](O)C[N@@H+]1CCN(C/C=C\c2ccc(F)cc2)C[C@H]1C ZINC000299736449 394450814 /nfs/dbraw/zinc/45/08/14/394450814.db2.gz NJMJCYFPCCMBOQ-OVNWPICBSA-N 1 0 292.398 2.226 10 0 CEAERO 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1 0 261.365 2.460 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(C)ccn1 ZINC000248464729 394541101 /nfs/dbraw/zinc/54/11/01/394541101.db2.gz YUDFQBWGYDZEEA-KGLIPLIRSA-N 1 0 288.395 2.481 10 0 CEAERO C(C[N@@H+]1CCO[C@H]2CCCC[C@H]21)O[C@H]1CCCCO1 ZINC000248503654 394541583 /nfs/dbraw/zinc/54/15/83/394541583.db2.gz VCPGOSMUNIOHBS-ILXRZTDVSA-N 1 0 269.385 2.173 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(C)n1 ZINC000248773844 394547097 /nfs/dbraw/zinc/54/70/97/394547097.db2.gz HLPMBUQJTIUMLO-KBPBESRZSA-N 1 0 288.395 2.481 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC1CCC2(CC1)OCCO2 ZINC000249056763 394551260 /nfs/dbraw/zinc/55/12/60/394551260.db2.gz OSFMDVVKCACUFK-HOCLYGCPSA-N 1 0 294.439 2.088 10 0 CEAERO O=C1C[C@H]([NH2+]C2C3CC4CC(C3)CC2C4)CCCN1 ZINC000328271269 394551808 /nfs/dbraw/zinc/55/18/08/394551808.db2.gz PPJYXYJDAOLFGG-GMDIISMXSA-N 1 0 262.397 2.069 10 0 CEAERO CC(C)(C)c1ncc(C[NH2+]CC2CC(O)C2)s1 ZINC000091525065 394657703 /nfs/dbraw/zinc/65/77/03/394657703.db2.gz JOKZVOCLQAZGMJ-UHFFFAOYSA-N 1 0 254.399 2.301 10 0 CEAERO FC(F)(F)c1ccnc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261613649 394604005 /nfs/dbraw/zinc/60/40/05/394604005.db2.gz SUTPSMZXIWWXBL-ONGXEEELSA-N 1 0 271.286 2.289 10 0 CEAERO C[C@@H]1C[C@@H](O)C[N@H+](CCCC(=O)c2ccccc2)C1 ZINC000401761651 533673102 /nfs/dbraw/zinc/67/31/02/533673102.db2.gz SHONJMXJJDYJIF-UKRRQHHQSA-N 1 0 261.365 2.352 10 0 CEAERO CC[NH2+][C@@H](CCO)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095091372 394672128 /nfs/dbraw/zinc/67/21/28/394672128.db2.gz SYFRKNYYYOJHER-STQMWFEESA-N 1 0 286.416 2.137 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@H](c2ccncc2)[C@H]([NH3+])C1 ZINC000096032663 394675331 /nfs/dbraw/zinc/67/53/31/394675331.db2.gz AGHANFLAWQUQJX-CHWSQXEVSA-N 1 0 277.368 2.133 10 0 CEAERO COC[C@@H](C)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000103433228 394715210 /nfs/dbraw/zinc/71/52/10/394715210.db2.gz QLJCEXAWEFSODP-CVEARBPZSA-N 1 0 296.455 2.239 10 0 CEAERO CN1CCO[C@@H](C[NH2+]Cc2c(Cl)cccc2Cl)C1 ZINC000105472273 394722070 /nfs/dbraw/zinc/72/20/70/394722070.db2.gz SLORSEIUEZQHGI-JTQLQIEISA-N 1 0 289.206 2.414 10 0 CEAERO CC[C@](C)(O)C[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000123016700 394822096 /nfs/dbraw/zinc/82/20/96/394822096.db2.gz PFBVLEFHYYWBGK-HKMNZKMDSA-N 1 0 288.435 2.478 10 0 CEAERO CC[C@@](C)(O)C[N@H+](C)CCOc1cccc(C)c1 ZINC000123236623 394824850 /nfs/dbraw/zinc/82/48/50/394824850.db2.gz UKIBGOYQUICDQK-OAHLLOKOSA-N 1 0 251.370 2.467 10 0 CEAERO C[N@H+](C[C@@H](O)CN1CCCC[C@@H]1c1nccs1)C1CC1 ZINC000336836044 394880962 /nfs/dbraw/zinc/88/09/62/394880962.db2.gz KHNNBIKUMXLIQB-ZIAGYGMSSA-N 1 0 295.452 2.125 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cnccc1C ZINC000128469531 394854781 /nfs/dbraw/zinc/85/47/81/394854781.db2.gz OUIZAIVZFFOFLC-HZPDHXFCSA-N 1 0 259.397 2.449 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)Cc2cnc3ccccc3c2)C1 ZINC000130747610 394895265 /nfs/dbraw/zinc/89/52/65/394895265.db2.gz SZOSNZMVMQHOMB-INIZCTEOSA-N 1 0 297.402 2.378 10 0 CEAERO CCN1CCC[C@@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000131729339 394918336 /nfs/dbraw/zinc/91/83/36/394918336.db2.gz XJBKCBLNYMDIMY-ZIAGYGMSSA-N 1 0 297.443 2.070 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCS[C@H](C)[C@@H]2C)C1 ZINC000132479198 394931283 /nfs/dbraw/zinc/93/12/83/394931283.db2.gz YOAJVDVMKJYMDH-RQJABVFESA-N 1 0 299.484 2.251 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)Sc2ccccn2)C1 ZINC000152297160 394992603 /nfs/dbraw/zinc/99/26/03/394992603.db2.gz POHBIECTTXAOBZ-OLZOCXBDSA-N 1 0 293.436 2.163 10 0 CEAERO CSCCCCC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158873717 395055836 /nfs/dbraw/zinc/05/58/36/395055836.db2.gz PUFSXJHGEMMHSN-STQMWFEESA-N 1 0 272.458 2.365 10 0 CEAERO CC(C)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1 ZINC000159080859 395057516 /nfs/dbraw/zinc/05/75/16/395057516.db2.gz UGVIWYMHNTWKKF-VXGBXAGGSA-N 1 0 259.357 2.357 10 0 CEAERO CO[C@@H](C[NH3+])CC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000232110699 285596714 /nfs/dbraw/zinc/59/67/14/285596714.db2.gz LHEKRHKLLLQYOD-QDCKZUPOSA-N 1 0 294.439 2.071 10 0 CEAERO CCC[C@@H](C(=O)N1CC[C@H](Nc2ccccc2)C1)[NH+](C)C ZINC000161985467 395068471 /nfs/dbraw/zinc/06/84/71/395068471.db2.gz QZADQSGZSTTZTJ-HOTGVXAUSA-N 1 0 289.423 2.430 10 0 CEAERO CC[C@@](C)(O)C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000162051353 395069299 /nfs/dbraw/zinc/06/92/99/395069299.db2.gz OZELFFGQGUMXHK-IAGOWNOFSA-N 1 0 275.392 2.321 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC1CCC1 ZINC000174042061 395118799 /nfs/dbraw/zinc/11/87/99/395118799.db2.gz YVZZIBAEHGAPQE-UONOGXRCSA-N 1 0 265.401 2.055 10 0 CEAERO CCc1nc(NC(=O)N2CC[C@H]([NH+](C)C)C2)sc1C ZINC000174357105 395122793 /nfs/dbraw/zinc/12/27/93/395122793.db2.gz GNPQYXZPMPACIT-JTQLQIEISA-N 1 0 282.413 2.182 10 0 CEAERO CC(C)[C@@H](CO)C[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000348295609 395141067 /nfs/dbraw/zinc/14/10/67/395141067.db2.gz UHIZPQCCVMXWQW-QWHCGFSZSA-N 1 0 275.396 2.488 10 0 CEAERO COCC[N@@H+]1CCN([C@@H]2CCc3ccc(F)cc32)C[C@@H]1C ZINC000177709961 395155476 /nfs/dbraw/zinc/15/54/76/395155476.db2.gz BCQKYOGTYVJMLL-SUMWQHHRSA-N 1 0 292.398 2.466 10 0 CEAERO C[C@@H]([NH3+])CCNC(=O)[C@H](C)CCc1ccccc1F ZINC000178631700 395170707 /nfs/dbraw/zinc/17/07/07/395170707.db2.gz PXZAHWZYZJUIQG-VXGBXAGGSA-N 1 0 266.360 2.248 10 0 CEAERO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)cc1 ZINC000398802918 395237518 /nfs/dbraw/zinc/23/75/18/395237518.db2.gz RVUAIXWSTNTMCY-KKUMJFAQSA-N 1 0 261.365 2.288 10 0 CEAERO C[C@H]([NH2+]CCCC(=O)NC(N)=O)c1ccc(Cl)s1 ZINC000183014099 395251872 /nfs/dbraw/zinc/25/18/72/395251872.db2.gz OMXUIEZKCCQXPJ-ZETCQYMHSA-N 1 0 289.788 2.027 10 0 CEAERO COc1ccc([C@H](C)[NH2+]C[C@@H](O)CSC)cc1OC ZINC000188219803 395312170 /nfs/dbraw/zinc/31/21/70/395312170.db2.gz AXGNLQOUYYOPPF-CMPLNLGQSA-N 1 0 285.409 2.078 10 0 CEAERO C[C@@H]1C[C@H](C(=O)N2CCO[C@H](C[NH+](C)C)C2)CC(C)(C)C1 ZINC000183821369 395263458 /nfs/dbraw/zinc/26/34/58/395263458.db2.gz KBCPZHQOQCXMLR-QLFBSQMISA-N 1 0 296.455 2.238 10 0 CEAERO C[C@H]1CC[C@H](O)C[N@@H+]1CCc1c(F)cccc1F ZINC000402058723 395268242 /nfs/dbraw/zinc/26/82/42/395268242.db2.gz XZNFXEXIEPUMAO-QWRGUYRKSA-N 1 0 255.308 2.353 10 0 CEAERO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2cccs2)no1 ZINC000192864747 395395577 /nfs/dbraw/zinc/39/55/77/395395577.db2.gz XMZBHDUPWYSPEH-VIFPVBQESA-N 1 0 265.338 2.334 10 0 CEAERO CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000192941362 395397131 /nfs/dbraw/zinc/39/71/31/395397131.db2.gz GOEUBMFRPHOEOT-QWRGUYRKSA-N 1 0 297.424 2.269 10 0 CEAERO CCCCOC[C@H](O)C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000195181818 395461340 /nfs/dbraw/zinc/46/13/40/395461340.db2.gz NOXQWOLECXDYQY-RBSFLKMASA-N 1 0 255.402 2.286 10 0 CEAERO CCCCOC[C@@H](O)C[NH2+]C(C)(C)c1nccs1 ZINC000195188908 395461374 /nfs/dbraw/zinc/46/13/74/395461374.db2.gz LLSRRAWOYJUAFW-NSHDSACASA-N 1 0 272.414 2.145 10 0 CEAERO Cc1nc2ccccc2cc1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195324145 395464355 /nfs/dbraw/zinc/46/43/55/395464355.db2.gz DVVDJKKTSOOJFD-HNNXBMFYSA-N 1 0 295.386 2.463 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)CCOc1cccc(Cl)c1 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CCOc1cc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)ccc1O ZINC000211285967 400303704 /nfs/dbraw/zinc/30/37/04/400303704.db2.gz VJPLXBZCVAQZGY-DZGCQCFKSA-N 1 0 290.407 2.459 10 0 CEAERO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2C[C@@H]3CCCC[C@@H]3C2)C1(C)C ZINC000187788700 286305985 /nfs/dbraw/zinc/30/59/85/286305985.db2.gz NIWOHWLRRCEGBA-UMPJEAMMSA-N 1 0 294.439 2.168 10 0 CEAERO Cc1c[nH+]ccc1-n1cc(I)cn1 ZINC000070679802 176001373 /nfs/dbraw/zinc/00/13/73/176001373.db2.gz JHAXEFCLWMGKBG-UHFFFAOYSA-N 1 0 285.088 2.180 10 0 CEAERO c1cn(C[C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)OCCO3)cn1 ZINC000188412369 153054428 /nfs/dbraw/zinc/05/44/28/153054428.db2.gz ZLMAKPPBICKMHW-HNNXBMFYSA-N 1 0 299.374 2.319 10 0 CEAERO CC1CC[NH+](CCCCNC(=O)[C@H]2CCCO[C@H]2C)CC1 ZINC000188763081 153070326 /nfs/dbraw/zinc/07/03/26/153070326.db2.gz BGILLOUOYPGDFU-HOTGVXAUSA-N 1 0 296.455 2.430 10 0 CEAERO CCn1cc(C2CC[NH+](CCOCC(F)F)CC2)cn1 ZINC000188990002 153078710 /nfs/dbraw/zinc/07/87/10/153078710.db2.gz KTFURSBQRPAYPU-UHFFFAOYSA-N 1 0 287.354 2.364 10 0 CEAERO CC(C)[NH+](CCNC(=O)[C@@H]1CCCO[C@@H]1C)C(C)C ZINC000191297752 153167709 /nfs/dbraw/zinc/16/77/09/153167709.db2.gz KIGRZEXAJKEKGF-ZIAGYGMSSA-N 1 0 270.417 2.037 10 0 CEAERO CCOCC[N@@H+]1CCN(C(=O)C[C@@H](C)CC)C[C@@H]1CC ZINC000191869853 153193778 /nfs/dbraw/zinc/19/37/78/153193778.db2.gz ZZLMBTMRLKEXAL-GJZGRUSLSA-N 1 0 284.444 2.382 10 0 CEAERO Cc1c[nH+]ccc1N1CCO[C@H](c2nccs2)C1 ZINC000191980152 153199387 /nfs/dbraw/zinc/19/93/87/153199387.db2.gz JUAHUTQOXTXWNG-LBPRGKRZSA-N 1 0 261.350 2.424 10 0 CEAERO C[C@H]([NH2+]Cc1ccc2c(c1)sc(=O)n2C)[C@H]1CCCO1 ZINC000192470074 153208274 /nfs/dbraw/zinc/20/82/74/153208274.db2.gz TXUGZAHJQNEYEM-GXFFZTMASA-N 1 0 292.404 2.257 10 0 CEAERO C[C@@H]([NH2+]CCN1C(=O)CCC1=O)c1ccc(Cl)s1 ZINC000193116543 153226784 /nfs/dbraw/zinc/22/67/84/153226784.db2.gz HNTRMMWWGWUXOY-MRVPVSSYSA-N 1 0 286.784 2.201 10 0 CEAERO Cc1cnn([C@@H]2CCC[N@H+](CCO[C@@H]3CCCCO3)C2)c1 ZINC000193051119 153227763 /nfs/dbraw/zinc/22/77/63/153227763.db2.gz JEAITAJENIRMGJ-HZPDHXFCSA-N 1 0 293.411 2.372 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCc3ccccc32)C1 ZINC000194315744 153253394 /nfs/dbraw/zinc/25/33/94/153253394.db2.gz MTJQYFJPUAHYLL-CQSZACIVSA-N 1 0 273.380 2.243 10 0 CEAERO CCc1nnc(C[N@@H+]2CC[C@H](c3ccccc3)C2)n1C ZINC000195120840 153275267 /nfs/dbraw/zinc/27/52/67/153275267.db2.gz DWXGMSCOXBFILF-AWEZNQCLSA-N 1 0 270.380 2.367 10 0 CEAERO O=C(CCc1ccc(F)cc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195086857 153279060 /nfs/dbraw/zinc/27/90/60/153279060.db2.gz YJQIHNPJXJBJKL-MRXNPFEDSA-N 1 0 290.382 2.455 10 0 CEAERO Cc1[nH]c2ccccc2c1CC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195330852 153285970 /nfs/dbraw/zinc/28/59/70/153285970.db2.gz IIAGVFKOENHFHK-AWEZNQCLSA-N 1 0 297.402 2.325 10 0 CEAERO CCn1cnnc1[C@@H]1CCC[N@H+](CCOC(C)(C)C)C1 ZINC000195520315 153293850 /nfs/dbraw/zinc/29/38/50/153293850.db2.gz FTRXAEWCZHROIF-CYBMUJFWSA-N 1 0 280.416 2.293 10 0 CEAERO O=C(C[N@H+]1CC[C@H](CCO)C1)c1c[nH]c2ccccc12 ZINC000227573147 153346172 /nfs/dbraw/zinc/34/61/72/153346172.db2.gz ASIBPRSMLCFXJU-GFCCVEGCSA-N 1 0 272.348 2.055 10 0 CEAERO OCC[C@H]1CC[N@H+](CCCOc2ccc(F)cc2)C1 ZINC000227566427 153346450 /nfs/dbraw/zinc/34/64/50/153346450.db2.gz DUVXOBFBFQJOQM-CYBMUJFWSA-N 1 0 267.344 2.299 10 0 CEAERO Cc1ccc([C@H]([NH3+])C(=O)NCc2ccsc2)cc1 ZINC000228080402 153359226 /nfs/dbraw/zinc/35/92/26/153359226.db2.gz VSHVORAIWDOEBL-ZDUSSCGKSA-N 1 0 260.362 2.373 10 0 CEAERO CCCCCNC(=O)[C@@H](C)N[C@@H](C)c1ncc(C)o1 ZINC000230643436 153395293 /nfs/dbraw/zinc/39/52/93/153395293.db2.gz KEBQOEACKQOJLO-NEPJUHHUSA-N 1 0 267.373 2.329 10 0 CEAERO CC(C)n1ncc2cc(CN3CC[N@@H+]4CCC[C@H]4C3)cnc21 ZINC000247021476 153590566 /nfs/dbraw/zinc/59/05/66/153590566.db2.gz CRBMGSGFERZGAZ-INIZCTEOSA-N 1 0 299.422 2.292 10 0 CEAERO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1CCCO[C@H]1C)CC2 ZINC000249627922 153707464 /nfs/dbraw/zinc/70/74/64/153707464.db2.gz QUNYBWRAEWNIOK-XUWVNRHRSA-N 1 0 294.439 2.275 10 0 CEAERO COc1ccc(Br)cc1CN1CC[C@H]([NH3+])[C@H]1C ZINC000261559800 153761538 /nfs/dbraw/zinc/76/15/38/153761538.db2.gz UBVPKSXRQOEBRB-SKDRFNHKSA-N 1 0 299.212 2.379 10 0 CEAERO CCc1cc(CC)nc(N2CCC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000261584673 153776832 /nfs/dbraw/zinc/77/68/32/153776832.db2.gz HXPMAUKAOLUJIJ-RYUDHWBXSA-N 1 0 262.401 2.165 10 0 CEAERO COCC1(CNc2ncc(Cl)cc2F)CC[NH2+]CC1 ZINC000261604398 153786838 /nfs/dbraw/zinc/78/68/38/153786838.db2.gz QYPXBPYQXZCFHS-UHFFFAOYSA-N 1 0 287.766 2.302 10 0 CEAERO COc1ccc(NC(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261639531 153792439 /nfs/dbraw/zinc/79/24/39/153792439.db2.gz CDUVJZVKZGHAIU-ZDUSSCGKSA-N 1 0 277.368 2.286 10 0 CEAERO CCc1nc(C)c(C(=O)N2CC[C@H](C)C[C@H]2C[NH3+])s1 ZINC000261654924 153801136 /nfs/dbraw/zinc/80/11/36/153801136.db2.gz BQYZQTFQZAYXOS-ONGXEEELSA-N 1 0 281.425 2.213 10 0 CEAERO C[NH2+][C@@H](C)Cc1noc(CCOc2cc(C)cc(C)c2)n1 ZINC000261655286 153802242 /nfs/dbraw/zinc/80/22/42/153802242.db2.gz FGQQWPNLOPCGNM-ZDUSSCGKSA-N 1 0 289.379 2.458 10 0 CEAERO CC1(C)CN(C(=O)c2cc(-c3ccco3)on2)CC[C@@H]1[NH3+] ZINC000261673502 153805190 /nfs/dbraw/zinc/80/51/90/153805190.db2.gz AGVFJSNIEDQYON-ZDUSSCGKSA-N 1 0 289.335 2.134 10 0 CEAERO CC1(C)CN(C(=O)c2ccc3ccccc3n2)CC[C@@H]1[NH3+] ZINC000261668400 153805219 /nfs/dbraw/zinc/80/52/19/153805219.db2.gz LDDJKDKYEBPPBI-HNNXBMFYSA-N 1 0 283.375 2.434 10 0 CEAERO [NH3+]Cc1ccc(NC(=O)NCCC2CCOCC2)cc1 ZINC000261689107 153809417 /nfs/dbraw/zinc/80/94/17/153809417.db2.gz HLMXNTXGTTXETP-UHFFFAOYSA-N 1 0 277.368 2.084 10 0 CEAERO COc1ccccc1CCC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261957552 153883849 /nfs/dbraw/zinc/88/38/49/153883849.db2.gz KPTPTJYFGXSDQI-OAHLLOKOSA-N 1 0 290.407 2.214 10 0 CEAERO C[C@]1(C[NH3+])CCN(Cc2cnc(C(F)(F)F)s2)C1 ZINC000262032193 153901032 /nfs/dbraw/zinc/90/10/32/153901032.db2.gz XGRVBPMPQZAFCJ-SNVBAGLBSA-N 1 0 279.331 2.333 10 0 CEAERO CCOCc1ccc(NC(=O)[C@@H](C)C2C[NH2+]C2)cc1 ZINC000262570121 153963343 /nfs/dbraw/zinc/96/33/43/153963343.db2.gz SGOITJPPZHJMND-NSHDSACASA-N 1 0 262.353 2.017 10 0 CEAERO Cc1nc([C@@H](C)NC(=O)CCC2CC[NH2+]CC2)cs1 ZINC000263172371 154029117 /nfs/dbraw/zinc/02/91/17/154029117.db2.gz FYCQAWCJFFHGOK-SNVBAGLBSA-N 1 0 281.425 2.409 10 0 CEAERO Cc1ccccc1[C@@H]1C[C@@H]1c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263221716 154037589 /nfs/dbraw/zinc/03/75/89/154037589.db2.gz LZTACJUSLGQESE-KKUMJFAQSA-N 1 0 298.390 2.225 10 0 CEAERO CN1CC[NH2+]C[C@@H]1c1noc(C2CCCCCC2)n1 ZINC000263229785 154038370 /nfs/dbraw/zinc/03/83/70/154038370.db2.gz NFHZMAXULRIOEM-GFCCVEGCSA-N 1 0 264.373 2.084 10 0 CEAERO CC(C)CCC[N@@H+]1CCC[C@H]([NH+](C)CC(=O)[O-])CC1 ZINC000263517179 154112396 /nfs/dbraw/zinc/11/23/96/154112396.db2.gz PDRHZCFBQHANGU-AWEZNQCLSA-N 1 0 270.417 2.294 10 0 CEAERO COc1ccccc1C[C@@](C)([NH2+]C1CCCCC1)C(N)=O ZINC000037969935 286498826 /nfs/dbraw/zinc/49/88/26/286498826.db2.gz VHNWTULRZZTBNR-QGZVFWFLSA-N 1 0 290.407 2.404 10 0 CEAERO CS(=O)(=O)c1ccc(-c2ccc(C[NH3+])cc2)cc1 ZINC000032540542 286632549 /nfs/dbraw/zinc/63/25/49/286632549.db2.gz HGTQCXWBZPZQII-UHFFFAOYSA-N 1 0 261.346 2.216 10 0 CEAERO C[C@@H](C(=O)N1CCc2sccc2[C@@H]1C)C1C[NH2+]C1 ZINC000164316922 286760614 /nfs/dbraw/zinc/76/06/14/286760614.db2.gz KZHWQNPGVUMQFR-ZJUUUORDSA-N 1 0 264.394 2.049 10 0 CEAERO C[C@H](CC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)C(C)(C)C ZINC000261590751 298296273 /nfs/dbraw/zinc/29/62/73/298296273.db2.gz XGEIGBXWIKNTLN-FRRDWIJNSA-N 1 0 252.402 2.269 10 0 CEAERO Brc1cnccc1NC[C@H]1CCC[NH2+]1 ZINC000159894623 162317959 /nfs/dbraw/zinc/31/79/59/162317959.db2.gz RGMBLFHCNUARFM-MRVPVSSYSA-N 1 0 256.147 2.008 10 0 CEAERO C[C@H]([NH3+])[C@@H]1CCCN(c2ccncc2Br)C1 ZINC000159905702 162320125 /nfs/dbraw/zinc/32/01/25/162320125.db2.gz ZGCPWYIPXRGDJC-VHSXEESVSA-N 1 0 284.201 2.408 10 0 CEAERO CCOc1ccc(OCC)c(NC(=O)[C@@H](C)C2C[NH2+]C2)c1 ZINC000163812464 162333639 /nfs/dbraw/zinc/33/36/39/162333639.db2.gz KTYMHQNWNDYVRG-NSHDSACASA-N 1 0 292.379 2.278 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)[C@@H](C)C2C[NH2+]C2)cc1F ZINC000164672506 162337604 /nfs/dbraw/zinc/33/76/04/162337604.db2.gz IHVQEEGDSYSLJH-WDEREUQCSA-N 1 0 264.344 2.167 10 0 CEAERO CC(C)[C@@H]([NH3+])CCN(C)c1ccc(C(F)(F)F)nn1 ZINC000167128406 162358628 /nfs/dbraw/zinc/35/86/28/162358628.db2.gz LQUXXVJDUCVFBT-VIFPVBQESA-N 1 0 276.306 2.305 10 0 CEAERO CC(C)(C)c1csc(CCNC(=O)[C@H]2CC[C@H]([NH3+])C2)n1 ZINC000167751587 162360539 /nfs/dbraw/zinc/36/05/39/162360539.db2.gz YSRBEZVIMWYIQH-QWRGUYRKSA-N 1 0 295.452 2.227 10 0 CEAERO Cc1cccc2[nH]cc(CC(=O)N3CC[N@@H+]4CCC[C@@H]4C3)c21 ZINC000170894075 162374813 /nfs/dbraw/zinc/37/48/13/162374813.db2.gz BIGZRYLZNONRGO-OAHLLOKOSA-N 1 0 297.402 2.325 10 0 CEAERO Cc1cnn(CCCCCN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000171930619 162393161 /nfs/dbraw/zinc/39/31/61/162393161.db2.gz QQCSQIJUJSUTDS-MRXNPFEDSA-N 1 0 276.428 2.142 10 0 CEAERO CCOc1cc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)ccc1C ZINC000172020179 162396630 /nfs/dbraw/zinc/39/66/30/162396630.db2.gz HANUNCZFJMYZJL-OAHLLOKOSA-N 1 0 288.391 2.314 10 0 CEAERO Brc1cncc(NC[C@@H]2CCC[NH2+]C2)c1 ZINC000261532181 162541926 /nfs/dbraw/zinc/54/19/26/162541926.db2.gz JNOJNSMAZQNKNL-SECBINFHSA-N 1 0 270.174 2.256 10 0 CEAERO O=C(NC[C@@H]1CCc2ccccc21)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171909354 165053502 /nfs/dbraw/zinc/05/35/02/165053502.db2.gz TXNXBWXTDRFJTN-JKSUJKDBSA-N 1 0 299.418 2.206 10 0 CEAERO Cc1nc(C[C@H]2CCCN(CC[NH+]3CCCCC3)C2)no1 ZINC000172653548 165062541 /nfs/dbraw/zinc/06/25/41/165062541.db2.gz LAELRFKIJHDZSC-OAHLLOKOSA-N 1 0 292.427 2.118 10 0 CEAERO CCCCCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000174610961 165110201 /nfs/dbraw/zinc/11/02/01/165110201.db2.gz JXBAWNXATXGENF-KBPBESRZSA-N 1 0 267.417 2.445 10 0 CEAERO Nc1cc[nH+]cc1C(=O)Nc1cnc2ccccc2c1 ZINC000178006679 165218319 /nfs/dbraw/zinc/21/83/19/165218319.db2.gz JYBHWYSGPHTANT-UHFFFAOYSA-N 1 0 264.288 2.464 10 0 CEAERO OC[C@H]1C[C@@H](O)C[N@@H+]1Cc1sc2ccccc2c1Cl ZINC000179180081 165271352 /nfs/dbraw/zinc/27/13/52/165271352.db2.gz WENHXSYBBBNEGZ-NXEZZACHSA-N 1 0 297.807 2.482 10 0 CEAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(C)o1)CC2 ZINC000180611439 165315620 /nfs/dbraw/zinc/31/56/20/165315620.db2.gz FFPSXZNKAJJDOV-RYUDHWBXSA-N 1 0 274.368 2.408 10 0 CEAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccoc1)CC2 ZINC000180623855 165317475 /nfs/dbraw/zinc/31/74/75/165317475.db2.gz YWMZHWZMDWPVPS-ZYHUDNBSSA-N 1 0 260.341 2.099 10 0 CEAERO CC1(C)CN(C(=O)COc2ccccc2Cl)CC[C@H]1[NH3+] ZINC000261977471 165504132 /nfs/dbraw/zinc/50/41/32/165504132.db2.gz LWLCBSDKTRCYLU-CYBMUJFWSA-N 1 0 296.798 2.305 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC(F)(F)F ZINC000175017056 287219119 /nfs/dbraw/zinc/21/91/19/287219119.db2.gz WPXAMTUSXKVECX-NXEZZACHSA-N 1 0 264.291 2.024 10 0 CEAERO COc1ccc2oc(C[NH+](C)C)c(NC(C)=O)c2c1 ZINC000004907135 170040101 /nfs/dbraw/zinc/04/01/01/170040101.db2.gz QHIOAWGMSIYOKB-UHFFFAOYSA-N 1 0 262.309 2.461 10 0 CEAERO CC(=O)c1c[nH]c(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1 ZINC000007818269 170304276 /nfs/dbraw/zinc/30/42/76/170304276.db2.gz VYEBSIPXNGXWNA-INIZCTEOSA-N 1 0 299.374 2.250 10 0 CEAERO [NH3+]Cc1ccc(NC(=O)COc2ccccc2F)cc1 ZINC000019257994 170760083 /nfs/dbraw/zinc/76/00/83/170760083.db2.gz IHUZTLZALVOBPQ-UHFFFAOYSA-N 1 0 274.295 2.302 10 0 CEAERO CCN(c1ccccc1C)[C@@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000019387707 170779722 /nfs/dbraw/zinc/77/97/22/170779722.db2.gz SLGGMJJXUSKGTC-GOEBONIOSA-N 1 0 290.407 2.444 10 0 CEAERO C[C@@H]([NH3+])c1ccccc1Sc1nnnn1C1CC1 ZINC000019874037 170903612 /nfs/dbraw/zinc/90/36/12/170903612.db2.gz LTGMZWCHOJBCDQ-MRVPVSSYSA-N 1 0 261.354 2.179 10 0 CEAERO c1coc([C@H](C[NH2+]C[C@@H]2CCOC2)N2CCCC2)c1 ZINC000020123125 171004400 /nfs/dbraw/zinc/00/44/00/171004400.db2.gz NXGYANQAVDZYGA-KBPBESRZSA-N 1 0 264.369 2.043 10 0 CEAERO COc1ccc(CNC[C@H](C(C)C)[NH+](C)C)cc1O ZINC000020145494 171031199 /nfs/dbraw/zinc/03/11/99/171031199.db2.gz QRRGABUBCSSAHH-CYBMUJFWSA-N 1 0 266.385 2.077 10 0 CEAERO CCCCN(C)S(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000020187947 171052927 /nfs/dbraw/zinc/05/29/27/171052927.db2.gz CUTVJLXESHOCAN-LLVKDONJSA-N 1 0 270.398 2.127 10 0 CEAERO [NH3+]CCCOc1cccc(NC(=O)c2ccco2)c1 ZINC000020224695 171087334 /nfs/dbraw/zinc/08/73/34/171087334.db2.gz NVBMZSCBOHCIJS-UHFFFAOYSA-N 1 0 260.293 2.260 10 0 CEAERO COc1ccc([C@H](C[NH3+])N(C)CC(C)C)c(OC)c1 ZINC000020226493 171091887 /nfs/dbraw/zinc/09/18/87/171091887.db2.gz NVJPZRFVVLNFAM-AWEZNQCLSA-N 1 0 266.385 2.291 10 0 CEAERO C[C@@H]1C[C@@H]1c1ccc([C@@H](C[NH3+])N2CCSCC2)o1 ZINC000020257184 171111969 /nfs/dbraw/zinc/11/19/69/171111969.db2.gz OBUUDSORQRPDEU-GRYCIOLGSA-N 1 0 266.410 2.452 10 0 CEAERO CN(Cc1cccc(F)c1)c1cc(C(N)=[NH2+])ccn1 ZINC000020266737 171123224 /nfs/dbraw/zinc/12/32/24/171123224.db2.gz SGBQKZGDGUULRX-UHFFFAOYSA-N 1 0 258.300 2.141 10 0 CEAERO CCC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccc(OC)cc1 ZINC000020364370 171163026 /nfs/dbraw/zinc/16/30/26/171163026.db2.gz FQQSWILQAHVQKU-CHWSQXEVSA-N 1 0 278.396 2.478 10 0 CEAERO COc1cccc([C@H]([NH3+])c2ccc3c(c2)CC(=O)N3C)c1 ZINC000020431195 171196084 /nfs/dbraw/zinc/19/60/84/171196084.db2.gz YPNFIYXMOUAXNG-KRWDZBQOSA-N 1 0 282.343 2.262 10 0 CEAERO Cc1nn(C)c(Oc2ccc(F)cc2F)c1C[NH3+] ZINC000020470158 171211291 /nfs/dbraw/zinc/21/12/91/171211291.db2.gz ZZQRQVUYZUXQIV-UHFFFAOYSA-N 1 0 253.252 2.258 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN1C(=S)N=NC1C(C)C ZINC000020590098 171261019 /nfs/dbraw/zinc/26/10/19/171261019.db2.gz AJLSKNKBQJVPIL-JTQLQIEISA-N 1 0 254.403 2.175 10 0 CEAERO CC[NH+](CC)CCc1noc(-c2cccc(N)c2)n1 ZINC000021817518 171333404 /nfs/dbraw/zinc/33/34/04/171333404.db2.gz GQJVXHGCQIXJLV-UHFFFAOYSA-N 1 0 260.341 2.203 10 0 CEAERO C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(F)cc2N)C1 ZINC000022152561 171359460 /nfs/dbraw/zinc/35/94/60/171359460.db2.gz FTIMMIPHWSXEBV-NSHDSACASA-N 1 0 279.359 2.468 10 0 CEAERO CC(C)[N@H+](C)CCCC(=O)Nc1ccc(F)c(N)c1 ZINC000022168078 171366765 /nfs/dbraw/zinc/36/67/65/171366765.db2.gz YYOMMIKNUMSXTR-UHFFFAOYSA-N 1 0 267.348 2.467 10 0 CEAERO C[C@@H]1[C@@H](C)CCC[C@@H]1NS(=O)(=O)c1cccc(C[NH3+])c1 ZINC000022173427 171369498 /nfs/dbraw/zinc/36/94/98/171369498.db2.gz BFQDKNSJDNTJNV-ZOWXZIJZSA-N 1 0 296.436 2.248 10 0 CEAERO [NH3+]Cc1ccc(N2CCCC2=O)c(C(F)(F)F)c1 ZINC000022177014 171371121 /nfs/dbraw/zinc/37/11/21/171371121.db2.gz MBLRQRIIWFKEJQ-UHFFFAOYSA-N 1 0 258.243 2.291 10 0 CEAERO C[C@H](NS(=O)(=O)c1cccc(C[NH3+])c1)c1ccccc1 ZINC000022177729 171371423 /nfs/dbraw/zinc/37/14/23/171371423.db2.gz GQMSOUYUOHTPRZ-LBPRGKRZSA-N 1 0 290.388 2.185 10 0 CEAERO Cc1cccc(NS(=O)(=O)c2cccc(C[NH3+])c2)c1 ZINC000022214043 171374884 /nfs/dbraw/zinc/37/48/84/171374884.db2.gz BCBSYAOTGQICGX-UHFFFAOYSA-N 1 0 276.361 2.255 10 0 CEAERO COc1ccccc1OCC(=O)Nc1ccccc1C[NH3+] ZINC000022221038 171377793 /nfs/dbraw/zinc/37/77/93/171377793.db2.gz LQLUZOPXNOLSMK-UHFFFAOYSA-N 1 0 286.331 2.171 10 0 CEAERO [NH3+]Cc1cccc(NC(=O)CCCOCC(F)(F)F)c1 ZINC000022223114 171379336 /nfs/dbraw/zinc/37/93/36/171379336.db2.gz BWSLLBAPBYIJHN-UHFFFAOYSA-N 1 0 290.285 2.443 10 0 CEAERO [NH3+][C@H](CN1CCOCC1)c1cccc2ccccc21 ZINC000022565545 171391964 /nfs/dbraw/zinc/39/19/64/171391964.db2.gz SBJIEGZLPHBHPZ-MRXNPFEDSA-N 1 0 256.349 2.172 10 0 CEAERO Cc1cccc(C2(C(=O)N3CCCC3)CC[NH2+]CC2)c1 ZINC000033607406 171815142 /nfs/dbraw/zinc/81/51/42/171815142.db2.gz IXSJBJNKASGMLL-UHFFFAOYSA-N 1 0 272.392 2.239 10 0 CEAERO C[NH2+]C[C@H](O)COc1cc(C)ccc1C(C)(C)C ZINC000034958871 171904633 /nfs/dbraw/zinc/90/46/33/171904633.db2.gz OJLCMIQJEXSGDN-LBPRGKRZSA-N 1 0 251.370 2.252 10 0 CEAERO CCCNC(=O)[C@@H](C)[NH2+]Cc1ccc(OCC)c(OC)c1 ZINC000034993172 171921064 /nfs/dbraw/zinc/92/10/64/171921064.db2.gz DNVKGZQXVPGJPU-GFCCVEGCSA-N 1 0 294.395 2.098 10 0 CEAERO CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000035230858 172070868 /nfs/dbraw/zinc/07/08/68/172070868.db2.gz APMPKAQCVBSESU-XQQFMLRXSA-N 1 0 252.402 2.460 10 0 CEAERO CCN(CC(C)C)c1nc2sccn2c1C[NH3+] ZINC000035430218 172199258 /nfs/dbraw/zinc/19/92/58/172199258.db2.gz IAWWPQLRHZUTPP-UHFFFAOYSA-N 1 0 252.387 2.337 10 0 CEAERO C[C@@H](CCc1ccco1)[NH2+]CCC(=O)N1CCCC1 ZINC000035451574 172205118 /nfs/dbraw/zinc/20/51/18/172205118.db2.gz AEUPXVVRQOTTFM-ZDUSSCGKSA-N 1 0 264.369 2.203 10 0 CEAERO CC(C)(C)OC(=O)N1C[C@@H]([NH3+])[C@@H](c2ccccc2F)C1 ZINC000035571751 172267387 /nfs/dbraw/zinc/26/73/87/172267387.db2.gz WKQFPVZPKMAOHI-DGCLKSJQSA-N 1 0 280.343 2.487 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1Sc1nnc2n1CCCCC2 ZINC000035723931 172379342 /nfs/dbraw/zinc/37/93/42/172379342.db2.gz NYDYPEQDSWUOPC-WDEREUQCSA-N 1 0 266.414 2.224 10 0 CEAERO CCC[NH2+][C@H]1CCCS(=O)(=O)c2ccccc21 ZINC000035760519 172398242 /nfs/dbraw/zinc/39/82/42/172398242.db2.gz BOTMFKMQMYGFSM-LBPRGKRZSA-N 1 0 253.367 2.295 10 0 CEAERO COc1cccc(C[NH3+])c1OC[C@H]1CCCCO1 ZINC000036230814 172527781 /nfs/dbraw/zinc/52/77/81/172527781.db2.gz WKCGBBUEDBLRFH-GFCCVEGCSA-N 1 0 251.326 2.102 10 0 CEAERO [NH3+]CCCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000036240516 172537475 /nfs/dbraw/zinc/53/74/75/172537475.db2.gz JYMXISITPVMDIM-UHFFFAOYSA-N 1 0 278.665 2.293 10 0 CEAERO Cc1cccc(C(=O)N[C@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000036287399 172582850 /nfs/dbraw/zinc/58/28/50/172582850.db2.gz PGTWJIOQGZGQQH-ZNMIVQPWSA-N 1 0 258.365 2.113 10 0 CEAERO CCC(CC)C(=O)Nc1ccccc1OCC[NH3+] ZINC000036682497 172653185 /nfs/dbraw/zinc/65/31/85/172653185.db2.gz XEWSWRUNVUAQEW-UHFFFAOYSA-N 1 0 250.342 2.399 10 0 CEAERO CC(C)[C@H](C)N(C)S(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000036788162 172706673 /nfs/dbraw/zinc/70/66/73/172706673.db2.gz YXZUDHQMELUUFD-NEPJUHHUSA-N 1 0 284.425 2.371 10 0 CEAERO Cc1cn2c(C[NH2+][C@@H]3CCC[C@@H](O)C3)c(C)nc2s1 ZINC000037166156 173000669 /nfs/dbraw/zinc/00/06/69/173000669.db2.gz WSFAAWRERSOHJZ-VXGBXAGGSA-N 1 0 279.409 2.406 10 0 CEAERO Cc1c([C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cnn1C ZINC000037167645 173002824 /nfs/dbraw/zinc/00/28/24/173002824.db2.gz RHLWSWFXHASPPS-NDNKKMJESA-N 1 0 262.401 2.004 10 0 CEAERO Cc1ccc([C@@H](C[NH3+])N2CCOC(C)(C)C2)cc1C ZINC000037180173 173013187 /nfs/dbraw/zinc/01/31/87/173013187.db2.gz KNQVHZJNROAMIH-OAHLLOKOSA-N 1 0 262.397 2.414 10 0 CEAERO CC[NH+](CC)CCNCc1c(C)nc2scc(C)n12 ZINC000037201989 173026394 /nfs/dbraw/zinc/02/63/94/173026394.db2.gz LEZMJMDNDZTAOV-UHFFFAOYSA-N 1 0 280.441 2.444 10 0 CEAERO COC1CCN(C[C@H]([NH3+])c2ccc(C)c(C)c2)CC1 ZINC000037266110 173076337 /nfs/dbraw/zinc/07/63/37/173076337.db2.gz SEXKXDNDMFGIEN-INIZCTEOSA-N 1 0 262.397 2.414 10 0 CEAERO CCC[N@H+](C)CC(=O)Nc1cc(N)ccc1Cl ZINC000037273352 173085496 /nfs/dbraw/zinc/08/54/96/173085496.db2.gz URJMGDMNQWADNZ-UHFFFAOYSA-N 1 0 255.749 2.203 10 0 CEAERO CC(C)[NH+](CCNCc1nccn1C(F)F)C(C)C ZINC000037302367 173108470 /nfs/dbraw/zinc/10/84/70/173108470.db2.gz MZYVDBGSZQVDQQ-UHFFFAOYSA-N 1 0 274.359 2.487 10 0 CEAERO Cc1nc2sccn2c1C[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000037321075 173122263 /nfs/dbraw/zinc/12/22/63/173122263.db2.gz DMUSPNCTUDJDIB-WDEREUQCSA-N 1 0 265.382 2.097 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](c2nc3cc(Br)ccc3[nH]2)C1 ZINC000037441249 173210806 /nfs/dbraw/zinc/21/08/06/173210806.db2.gz OANIAVVLVXYVSE-LDYMZIIASA-N 1 0 296.168 2.375 10 0 CEAERO C[C@@H]([NH3+])Cc1nc(-c2cccc(Br)c2)no1 ZINC000037452901 173218610 /nfs/dbraw/zinc/21/86/10/173218610.db2.gz ZPXQIENOLBHHDF-SSDOTTSWSA-N 1 0 282.141 2.389 10 0 CEAERO CC(C)COCCCNC(=O)CCCCCC[NH3+] ZINC000037468795 173227212 /nfs/dbraw/zinc/22/72/12/173227212.db2.gz LHUFWYRJGBVONA-UHFFFAOYSA-N 1 0 258.406 2.075 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)N[C@H](C)c1ccccc1F ZINC000037495666 173234725 /nfs/dbraw/zinc/23/47/25/173234725.db2.gz VROMWNJEWMDUQP-WDEREUQCSA-N 1 0 252.333 2.391 10 0 CEAERO CCN(C(=O)/C=C/c1cccs1)C1CC[NH2+]CC1 ZINC000037537462 173256852 /nfs/dbraw/zinc/25/68/52/173256852.db2.gz NAKUGYXMIDRJKU-AATRIKPKSA-N 1 0 264.394 2.362 10 0 CEAERO CCN(C(=O)c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000037537406 173257046 /nfs/dbraw/zinc/25/70/46/173257046.db2.gz GBLSGGUSXJJKGT-UHFFFAOYSA-N 1 0 250.317 2.040 10 0 CEAERO C[C@@H]1CCC[C@@H](NC(=O)C2CCC([NH3+])CC2)[C@@H]1C ZINC000037623122 173575939 /nfs/dbraw/zinc/57/59/39/173575939.db2.gz IUUJEXWNLIRETH-KPHYFBGPSA-N 1 0 252.402 2.445 10 0 CEAERO CC[NH2+][C@H](CC)c1ccc(OCC(=O)OC)cc1 ZINC000037708911 173628426 /nfs/dbraw/zinc/62/84/26/173628426.db2.gz BZKDKXLXAJGGDR-CYBMUJFWSA-N 1 0 251.326 2.299 10 0 CEAERO C[C@@H]1CC[C@H](C(=O)NCCC2CCCCC2)C[NH2+]1 ZINC000037742161 173663115 /nfs/dbraw/zinc/66/31/15/173663115.db2.gz ROBXOUWMPVWCAH-OCCSQVGLSA-N 1 0 252.402 2.461 10 0 CEAERO COCCCOc1ccc(C[C@@H](C)[NH3+])cc1OC ZINC000037754327 173677899 /nfs/dbraw/zinc/67/78/99/173677899.db2.gz NEEKMTVYQSZAHH-LLVKDONJSA-N 1 0 253.342 2.000 10 0 CEAERO C[C@@H]1CCCC[C@@H]1C[NH+]1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000263520748 287283271 /nfs/dbraw/zinc/28/32/71/287283271.db2.gz QUBDPAKUGNIOAB-ZIAGYGMSSA-N 1 0 282.428 2.294 10 0 CEAERO COc1cc(C[NH2+]C[C@H](C)N2CCCCC2)ccc1O ZINC000038028245 174016410 /nfs/dbraw/zinc/01/64/10/174016410.db2.gz PDSNHDJQEQMSQT-ZDUSSCGKSA-N 1 0 278.396 2.365 10 0 CEAERO Nc1cccc2c1CC[N@H+](C[C@@H](O)c1ccccc1)C2 ZINC000038032923 174030034 /nfs/dbraw/zinc/03/00/34/174030034.db2.gz DOSQRRHVAVGVDJ-QGZVFWFLSA-N 1 0 268.360 2.361 10 0 CEAERO CCc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCOC2)cc1 ZINC000038045412 174053823 /nfs/dbraw/zinc/05/38/23/174053823.db2.gz PMJYZLDCSSYENR-JKSUJKDBSA-N 1 0 293.407 2.005 10 0 CEAERO COc1ccc(C)cc1[C@@H](O)C[NH2+]C[C@H]1CCCOC1 ZINC000038045551 174053949 /nfs/dbraw/zinc/05/39/49/174053949.db2.gz BQWWACVILATBMC-HIFRSBDPSA-N 1 0 279.380 2.053 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)c1cc(Cl)ccc1O ZINC000038049212 174059876 /nfs/dbraw/zinc/05/98/76/174059876.db2.gz ZGURLHBPHUAZQU-WDEREUQCSA-N 1 0 268.744 2.045 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)/C=C/c1ccc(F)cc1 ZINC000038049545 174060500 /nfs/dbraw/zinc/06/05/00/174060500.db2.gz YGNYVMKZOGGETQ-OSTYMCCRSA-N 1 0 262.328 2.225 10 0 CEAERO COc1ccccc1NC(=O)N[C@H]1CCCC[C@H]1[NH3+] ZINC000038049862 174061173 /nfs/dbraw/zinc/06/11/73/174061173.db2.gz JGVRFUKEUHUXEM-MNOVXSKESA-N 1 0 263.341 2.087 10 0 CEAERO CCN(CC)C(=O)c1cc(N[C@H]2CCCC[C@@H]2[NH3+])ccn1 ZINC000038050783 174062065 /nfs/dbraw/zinc/06/20/65/174062065.db2.gz KMHTVDVBOXVUER-KBPBESRZSA-N 1 0 290.411 2.245 10 0 CEAERO O=C(CC1CC[NH2+]CC1)N1CCC[C@H]1c1ccc[nH]1 ZINC000038075944 174086473 /nfs/dbraw/zinc/08/64/73/174086473.db2.gz WMRHCYZRTKVCFN-AWEZNQCLSA-N 1 0 261.369 2.068 10 0 CEAERO C[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(=O)Nc1cccc(F)c1 ZINC000038076581 174087169 /nfs/dbraw/zinc/08/71/69/174087169.db2.gz ALUKCLRUWQHDOM-NRUUGDAUSA-N 1 0 263.316 2.040 10 0 CEAERO CC[C@@H](C)C[C@H](CC)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000038083003 174092842 /nfs/dbraw/zinc/09/28/42/174092842.db2.gz SMFDFOSCDGHQLK-AGIUHOORSA-N 1 0 261.431 2.226 10 0 CEAERO C[C@@H]1c2ccsc2CCN1C(=O)C1([NH3+])CCCC1 ZINC000038100933 174116478 /nfs/dbraw/zinc/11/64/78/174116478.db2.gz BNFNOGQLNNTKOZ-SNVBAGLBSA-N 1 0 264.394 2.465 10 0 CEAERO COC(=O)c1cccc(CN2CC[NH2+]C[C@@H]2CC(C)C)c1 ZINC000039952600 174177610 /nfs/dbraw/zinc/17/76/10/174177610.db2.gz XVXPUPAOSJBQNT-INIZCTEOSA-N 1 0 290.407 2.293 10 0 CEAERO CCCCN(C(=O)[C@@H]([NH3+])CCSC)[C@H](C)CC ZINC000040467543 174275316 /nfs/dbraw/zinc/27/53/16/174275316.db2.gz QJKIXVLJTOMSFH-NEPJUHHUSA-N 1 0 260.447 2.494 10 0 CEAERO c1cnn(-c2ccccc2C[NH2+]C[C@H]2CCCO2)c1 ZINC000040495665 174294098 /nfs/dbraw/zinc/29/40/98/174294098.db2.gz BAUDJMDSYGXGHU-CQSZACIVSA-N 1 0 257.337 2.141 10 0 CEAERO CCCO[C@H]1CCCN(C(=O)[C@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000040501383 174297310 /nfs/dbraw/zinc/29/73/10/174297310.db2.gz BRIHAFYNJOALRS-YHUYYLMFSA-N 1 0 294.439 2.325 10 0 CEAERO CCCO[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000040501377 174297419 /nfs/dbraw/zinc/29/74/19/174297419.db2.gz BRIHAFYNJOALRS-FZKCQIBNSA-N 1 0 294.439 2.325 10 0 CEAERO CCN1CCC[C@H]([NH2+]Cc2ccc(OC)c(F)c2)C1 ZINC000040502993 174299671 /nfs/dbraw/zinc/29/96/71/174299671.db2.gz HQERZUOCRSWXTQ-ZDUSSCGKSA-N 1 0 266.360 2.408 10 0 CEAERO Cc1cc(C)c(C[NH3+])c(OCCc2ccccn2)n1 ZINC000040509721 174304027 /nfs/dbraw/zinc/30/40/27/174304027.db2.gz LGNFXZOEDOJRIG-UHFFFAOYSA-N 1 0 257.337 2.174 10 0 CEAERO CC[NH+](CC)CCNc1nc(C)cc(C)c1C(N)=S ZINC000040509975 174304159 /nfs/dbraw/zinc/30/41/59/174304159.db2.gz WMGGUKYYBPETAW-UHFFFAOYSA-N 1 0 280.441 2.086 10 0 CEAERO COC(=O)[C@@H](C)C[NH2+][C@H](C)c1sc(C)nc1C ZINC000040518634 174308094 /nfs/dbraw/zinc/30/80/94/174308094.db2.gz SJIZRMPGQFLILX-JGVFFNPUSA-N 1 0 256.371 2.220 10 0 CEAERO Cc1nc(C)c([C@@H](C)NC(=O)[C@@](C)([NH3+])C2CC2)s1 ZINC000040519120 174308783 /nfs/dbraw/zinc/30/87/83/174308783.db2.gz OEQYYMLWZUAYLH-OQPBUACISA-N 1 0 267.398 2.065 10 0 CEAERO COc1cc2c(cc1OC)[C@]13C[C@@H](O)C=CC1=CC[N@@H+]3CC2 ZINC000040576240 174341756 /nfs/dbraw/zinc/34/17/56/174341756.db2.gz JEBFJSHKHYDVNP-KSSFIOAISA-N 1 0 299.370 2.018 10 0 CEAERO C[NH2+]C[C@H]1CCCN(C(=O)c2cccn2C(C)C)C1 ZINC000040594208 174348346 /nfs/dbraw/zinc/34/83/46/174348346.db2.gz GQTCOMOXEXKDDW-CYBMUJFWSA-N 1 0 263.385 2.141 10 0 CEAERO C[NH2+]C[C@H]1CCCN(CC(=O)Nc2cc(F)ccc2C)C1 ZINC000040599112 174350504 /nfs/dbraw/zinc/35/05/04/174350504.db2.gz MTTFMNDMQGABBW-CYBMUJFWSA-N 1 0 293.386 2.004 10 0 CEAERO COC(=O)c1ccccc1CNC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000040622907 174355485 /nfs/dbraw/zinc/35/54/85/174355485.db2.gz WWDBUKHAJBIKLA-CQSZACIVSA-N 1 0 290.407 2.293 10 0 CEAERO c1c(C[NH2+][C@@H]2CN3CCC2CC3)sc2c1CCC2 ZINC000040625982 174356468 /nfs/dbraw/zinc/35/64/68/174356468.db2.gz UWODSGVMYWZQTI-CQSZACIVSA-N 1 0 262.422 2.421 10 0 CEAERO [NH3+]C1CCC(C(=O)NCc2cc3c(s2)CCC3)CC1 ZINC000040627954 174356823 /nfs/dbraw/zinc/35/68/23/174356823.db2.gz WWBAGQGTGHNFLG-UHFFFAOYSA-N 1 0 278.421 2.371 10 0 CEAERO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000040629902 174357958 /nfs/dbraw/zinc/35/79/58/174357958.db2.gz MRYBSHBHHUISQN-GZMMTYOYSA-N 1 0 288.269 2.021 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccccc2OCC(C)C)C1 ZINC000040634344 174360413 /nfs/dbraw/zinc/36/04/13/174360413.db2.gz AATNXALPLWFROP-TZMCWYRMSA-N 1 0 292.379 2.037 10 0 CEAERO CC[C@@H](C)[NH2+][C@H](C(N)=O)c1cccc(OC(C)C)c1 ZINC000040666550 174366496 /nfs/dbraw/zinc/36/64/96/174366496.db2.gz VFMDHZNDAXKHSO-RISCZKNCSA-N 1 0 264.369 2.388 10 0 CEAERO C[C@@H]1CCC[C@@](C[NH2+]C[C@@H]2CCCO2)(N(C)C)C1 ZINC000040669608 174368046 /nfs/dbraw/zinc/36/80/46/174368046.db2.gz OMALFSFEUNFCLC-QLFBSQMISA-N 1 0 254.418 2.266 10 0 CEAERO C[N@@H+]1CCC[C@@H](Nc2cc3ccccc3c(=O)[nH]2)C1 ZINC000040673352 174372255 /nfs/dbraw/zinc/37/22/55/174372255.db2.gz NXBHUCBLPOREIZ-GFCCVEGCSA-N 1 0 257.337 2.034 10 0 CEAERO NNc1[nH+]cnc(Oc2cccc3ccccc32)c1N ZINC000040683274 174375416 /nfs/dbraw/zinc/37/54/16/174375416.db2.gz MTCGDVZORNBFCC-UHFFFAOYSA-N 1 0 267.292 2.290 10 0 CEAERO Cc1cc(C)cc(Nc2nc[nH+]c(NN(C)C)c2N)c1 ZINC000040681941 174375493 /nfs/dbraw/zinc/37/54/93/174375493.db2.gz WWDSLTOGUQXZAZ-UHFFFAOYSA-N 1 0 272.356 2.308 10 0 CEAERO CCOC1CC[NH+]([C@]2(CN)CCC[C@H](C)C2)CC1 ZINC000040689151 174376101 /nfs/dbraw/zinc/37/61/01/174376101.db2.gz UCSYXLSHIZQUOY-DZGCQCFKSA-N 1 0 254.418 2.395 10 0 CEAERO CCOC1CC[NH+]([C@@]2(CN)CCC[C@H](C)C2)CC1 ZINC000040689152 174376144 /nfs/dbraw/zinc/37/61/44/174376144.db2.gz UCSYXLSHIZQUOY-ZFWWWQNUSA-N 1 0 254.418 2.395 10 0 CEAERO CCOC(=O)C1(Nc2ccc(C)cc2)CC[NH2+]CC1 ZINC000040695296 174378277 /nfs/dbraw/zinc/37/82/77/174378277.db2.gz FJLRFZIPRVCPRQ-UHFFFAOYSA-N 1 0 262.353 2.092 10 0 CEAERO CC(C)n1c2ccc(F)cc2nc1[C@@H]([NH3+])CCO ZINC000040710299 174380687 /nfs/dbraw/zinc/38/06/87/174380687.db2.gz LCFYDLMPTWSPBC-JTQLQIEISA-N 1 0 251.305 2.139 10 0 CEAERO CN(C)c1cccc(OC[C@@H](O)c2ccc(C[NH3+])cc2)c1 ZINC000040714215 174381902 /nfs/dbraw/zinc/38/19/02/174381902.db2.gz SYPLPYNIRNDUKQ-QGZVFWFLSA-N 1 0 286.375 2.324 10 0 CEAERO C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2N)C1 ZINC000040716784 174384595 /nfs/dbraw/zinc/38/45/95/174384595.db2.gz CLIFCAJZNLKWDS-SECBINFHSA-N 1 0 267.760 2.203 10 0 CEAERO Cc1nn([C@@H](C)C(=O)Nc2cccc(C[NH3+])c2)c(C)c1C ZINC000040729165 174388284 /nfs/dbraw/zinc/38/82/84/174388284.db2.gz YMYPWIDPOWYNKI-ZDUSSCGKSA-N 1 0 286.379 2.467 10 0 CEAERO Cc1nn([C@@H](C)C(=O)Nc2ccccc2C[NH3+])c(C)c1C ZINC000040728948 174388400 /nfs/dbraw/zinc/38/84/00/174388400.db2.gz LXOHMSZZDJIGKG-ZDUSSCGKSA-N 1 0 286.379 2.467 10 0 CEAERO CCc1c(C)nn(Cc2ccc(C(N)=[NH2+])cc2)c1C ZINC000040732776 174388745 /nfs/dbraw/zinc/38/87/45/174388745.db2.gz FDODLTRIQDFDRQ-UHFFFAOYSA-N 1 0 256.353 2.395 10 0 CEAERO [NH3+][C@H](CC(=O)Nc1ccc(CCO)cc1)c1ccccc1 ZINC000040739205 174390179 /nfs/dbraw/zinc/39/01/79/174390179.db2.gz YWELXJQLUCASMP-MRXNPFEDSA-N 1 0 284.359 2.250 10 0 CEAERO CCCN(C(=O)[C@@H]1C[C@@H]1C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747852 174393433 /nfs/dbraw/zinc/39/34/33/174393433.db2.gz OECKSDVKBACUJY-BEUHCMRWSA-N 1 0 250.386 2.164 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2[nH]ccc21 ZINC000040749739 174394404 /nfs/dbraw/zinc/39/44/04/174394404.db2.gz JCVUNWPRWWDRGH-YOGCLGLASA-N 1 0 269.348 2.262 10 0 CEAERO C[C@H]1C[S@@](=O)c2c(Br)cccc2[C@@H]1[NH3+] ZINC000040977279 174444982 /nfs/dbraw/zinc/44/49/82/174444982.db2.gz VCEFHKKCQQUNAL-GJANQFNCSA-N 1 0 274.183 2.206 10 0 CEAERO Cc1cc(C(C)C)nc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000122606560 414788767 /nfs/dbraw/zinc/78/87/67/414788767.db2.gz MWWWOULPNPUBRT-OLZOCXBDSA-N 1 0 260.385 2.239 10 0 CEAERO Cc1cc(C(C)C)nc(N2CCC[C@H](CC[NH3+])C2)n1 ZINC000122572499 414788915 /nfs/dbraw/zinc/78/89/15/414788915.db2.gz WJDDDUIPJPUIJZ-CYBMUJFWSA-N 1 0 262.401 2.474 10 0 CEAERO CC(C)([NH3+])c1cn(Cc2nc3ccccc3s2)nn1 ZINC000070118068 414766204 /nfs/dbraw/zinc/76/62/04/414766204.db2.gz DHZPVJBCXOOSJW-UHFFFAOYSA-N 1 0 273.365 2.130 10 0 CEAERO CCCCOC[C@H](O)C[N@@H+]1CCC[C@H](OC(C)C)C1 ZINC000404519638 414787031 /nfs/dbraw/zinc/78/70/31/414787031.db2.gz HQXAYMRJCPRSQH-CABCVRRESA-N 1 0 273.417 2.053 10 0 CEAERO CC[C@H]1CN(c2ncc(Cl)cc2F)CC[C@@H]1[NH3+] ZINC000122988774 414792435 /nfs/dbraw/zinc/79/24/35/414792435.db2.gz NYPJGSBYEGZGAS-KWQFWETISA-N 1 0 257.740 2.438 10 0 CEAERO COc1cccc(OC)c1-c1nc(C2CC[NH2+]CC2)no1 ZINC000041465705 174556906 /nfs/dbraw/zinc/55/69/06/174556906.db2.gz XATLXMWSOGBRDW-UHFFFAOYSA-N 1 0 289.335 2.221 10 0 CEAERO CN(C(=O)c1cc(Cl)ccc1F)[C@@H](C[NH3+])C(F)(F)F ZINC000662980118 414816725 /nfs/dbraw/zinc/81/67/25/414816725.db2.gz ZVQJGYGLYMCDCD-VIFPVBQESA-N 1 0 298.667 2.441 10 0 CEAERO C[C@@H]1CCC[C@@H](C(=O)N(C)[C@H](C[NH3+])C(F)(F)F)C1 ZINC000662976517 414816752 /nfs/dbraw/zinc/81/67/52/414816752.db2.gz GALUPSVXRPPYSH-OPRDCNLKSA-N 1 0 266.307 2.161 10 0 CEAERO CN(C(=O)c1ccccc1Cl)[C@H](C[NH3+])C(F)(F)F ZINC000662977558 414817160 /nfs/dbraw/zinc/81/71/60/414817160.db2.gz VWGCHCNMCDGUMD-SECBINFHSA-N 1 0 280.677 2.302 10 0 CEAERO c1nc2n(c1C[NH2+][C@H]1CCOc3ccccc31)CCC2 ZINC000657290871 414837107 /nfs/dbraw/zinc/83/71/07/414837107.db2.gz UVZXSYOJTNDFPZ-AWEZNQCLSA-N 1 0 269.348 2.443 10 0 CEAERO Cc1cc2c(n1-c1ccn(C)n1)CC(C)(C)C[C@H]2[NH3+] ZINC000041731536 174620108 /nfs/dbraw/zinc/62/01/08/174620108.db2.gz ZEQABASLLJMXLA-GFCCVEGCSA-N 1 0 258.369 2.491 10 0 CEAERO COC(=O)[C@H](C(C)C)n1ccc2c1CCC[C@@H]2[NH3+] ZINC000041735284 174620638 /nfs/dbraw/zinc/62/06/38/174620638.db2.gz CCGDJNZGTFKMDG-AAEUAGOBSA-N 1 0 250.342 2.194 10 0 CEAERO CC(C)c1cc(NC(=O)CC[C@H]2CCC[NH2+]2)n[nH]1 ZINC000310922776 414858987 /nfs/dbraw/zinc/85/89/87/414858987.db2.gz GELZVIVEROGYGE-SNVBAGLBSA-N 1 0 250.346 2.004 10 0 CEAERO CC[NH+](CC)C[C@H](O)c1ccc2c(c1)OCCCO2 ZINC000042244823 174664400 /nfs/dbraw/zinc/66/44/00/174664400.db2.gz MSAWCWUCSCFCSP-ZDUSSCGKSA-N 1 0 265.353 2.223 10 0 CEAERO CCCc1nccnc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000663396494 414941033 /nfs/dbraw/zinc/94/10/33/414941033.db2.gz CGJQPHXRFUCLOM-CHWSQXEVSA-N 1 0 260.385 2.468 10 0 CEAERO CC(C)n1ccnc1C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000657372249 414892552 /nfs/dbraw/zinc/89/25/52/414892552.db2.gz DXGBGNLZHWYZSN-CHWSQXEVSA-N 1 0 251.374 2.105 10 0 CEAERO C[C@@H]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653079315 414899522 /nfs/dbraw/zinc/89/95/22/414899522.db2.gz ZRIQDHLHBKQRGU-WRWGMCAJSA-N 1 0 292.345 2.327 10 0 CEAERO C[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)C1CCCC1 ZINC000653089728 414903046 /nfs/dbraw/zinc/90/30/46/414903046.db2.gz RWXPAVBPCIMRLX-JMJZKYOTSA-N 1 0 278.318 2.079 10 0 CEAERO CCC1CCC([NH3+])(c2nc(CCOC)no2)CC1 ZINC000042436300 174731777 /nfs/dbraw/zinc/73/17/77/174731777.db2.gz BFINMYAHIXZXAL-UHFFFAOYSA-N 1 0 253.346 2.013 10 0 CEAERO CC(C)N(CC1CC1)c1nc2sccn2c1C[NH3+] ZINC000042588994 174810812 /nfs/dbraw/zinc/81/08/12/174810812.db2.gz GAFQCHMQNMRZPR-UHFFFAOYSA-N 1 0 264.398 2.479 10 0 CEAERO CN1C[C@H](C[NH2+]CC(C)(C)c2ccccc2)CC1=O ZINC000657696293 415051398 /nfs/dbraw/zinc/05/13/98/415051398.db2.gz UHPFTMSLDMROMK-ZDUSSCGKSA-N 1 0 260.381 2.032 10 0 CEAERO CC(C)Oc1ccccc1C[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000657694408 415051445 /nfs/dbraw/zinc/05/14/45/415051445.db2.gz LUOAAFSJOXEDFU-ZDUSSCGKSA-N 1 0 276.380 2.042 10 0 CEAERO COCCN(c1ccc(C(N)=[NH2+])cc1F)[C@@H](C)C1CC1 ZINC000042679970 174834694 /nfs/dbraw/zinc/83/46/94/174834694.db2.gz NERICLUDAYKXPO-JTQLQIEISA-N 1 0 279.359 2.361 10 0 CEAERO OCC1CC([NH2+]Cc2cccc(O)c2Br)C1 ZINC000657810906 415090733 /nfs/dbraw/zinc/09/07/33/415090733.db2.gz MEJYHDUBGDOUJT-UHFFFAOYSA-N 1 0 286.169 2.015 10 0 CEAERO [NH3+]C[C@H](Sc1nc[nH]n1)c1ccc(Cl)cc1 ZINC000042950058 174923140 /nfs/dbraw/zinc/92/31/40/174923140.db2.gz RFAARPYCDMAPCT-VIFPVBQESA-N 1 0 254.746 2.250 10 0 CEAERO COCCS[C@H](c1ccc(OC)cc1)[C@H](C)[NH3+] ZINC000042964986 174928689 /nfs/dbraw/zinc/92/86/89/174928689.db2.gz XAOFQYDOQRKBIH-GWCFXTLKSA-N 1 0 255.383 2.463 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1cnn(C)c1)N(CC)CC(F)(F)F ZINC000043232287 174985763 /nfs/dbraw/zinc/98/57/63/174985763.db2.gz RAAGFYWLPBSOGL-GHMZBOCLSA-N 1 0 278.322 2.083 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Oc1ccc(F)cc1)c1cnn(C)c1 ZINC000043233934 174986883 /nfs/dbraw/zinc/98/68/83/174986883.db2.gz UVMIXJBHLQMORG-ZIAGYGMSSA-N 1 0 263.316 2.417 10 0 CEAERO COC(=O)CS[C@H](c1ccc(C)s1)[C@@H](C)[NH3+] ZINC000043246874 174991288 /nfs/dbraw/zinc/99/12/88/174991288.db2.gz XCEPSGYTVQZXMJ-KCJUWKMLSA-N 1 0 259.396 2.351 10 0 CEAERO [NH3+][C@@H](c1ccc(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000043299939 175000237 /nfs/dbraw/zinc/00/02/37/175000237.db2.gz ISIAKCXOABRYCN-WRWORJQWSA-N 1 0 294.203 2.428 10 0 CEAERO C[NH2+][C@H](c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043300436 175000857 /nfs/dbraw/zinc/00/08/57/175000857.db2.gz RAZZOQBGZGTOBA-CMPLNLGQSA-N 1 0 273.785 2.035 10 0 CEAERO [NH3+][C@H](c1cccc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043299998 175001215 /nfs/dbraw/zinc/00/12/15/175001215.db2.gz PYOVNOPZZWJWQM-MWLCHTKSSA-N 1 0 293.310 2.140 10 0 CEAERO CCC[NH2+][C@@H](C(CC)CC)[C@H]1CCS(=O)(=O)C1 ZINC000043301315 175001961 /nfs/dbraw/zinc/00/19/61/175001961.db2.gz LVLBDOVAZGOIHK-STQMWFEESA-N 1 0 261.431 2.226 10 0 CEAERO CCC[NH2+][C@@H](c1ccccc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000043301221 175002022 /nfs/dbraw/zinc/00/20/22/175002022.db2.gz YHHLZJAZOFEQEU-SWLSCSKDSA-N 1 0 297.420 2.171 10 0 CEAERO CC[NH+](CC)C[C@H](O)CNc1cc(OC)ccc1Cl ZINC000043317446 175004994 /nfs/dbraw/zinc/00/49/94/175004994.db2.gz CEXJCHVADRNTDH-LLVKDONJSA-N 1 0 286.803 2.463 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccco1)N(C)[C@@H]1CCSC1 ZINC000043334779 175010350 /nfs/dbraw/zinc/01/03/50/175010350.db2.gz SHEZONRLMGZJEB-WZRBSPASSA-N 1 0 254.399 2.495 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccco1)N(C)[C@@H]1CCSC1 ZINC000043334778 175010682 /nfs/dbraw/zinc/01/06/82/175010682.db2.gz SHEZONRLMGZJEB-MDZLAQPJSA-N 1 0 254.399 2.495 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1ccco1)N(C)CCc1ccncc1 ZINC000043335413 175011166 /nfs/dbraw/zinc/01/11/66/175011166.db2.gz HBDIFGLPRKUKLH-WFASDCNBSA-N 1 0 259.353 2.237 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccco1)N1CCOC(C)(C)C1 ZINC000043335311 175011475 /nfs/dbraw/zinc/01/14/75/175011475.db2.gz MASJFWGIAUTZLC-AAEUAGOBSA-N 1 0 252.358 2.169 10 0 CEAERO [NH3+]C[C@@H](Sc1nnnn1-c1ccccc1)c1ccco1 ZINC000043338292 175012487 /nfs/dbraw/zinc/01/24/87/175012487.db2.gz OXYWRFWMFIBKHQ-GFCCVEGCSA-N 1 0 287.348 2.047 10 0 CEAERO [NH3+]C[C@H](c1ccccn1)n1ccnc1-c1ccccc1 ZINC000043341487 175015431 /nfs/dbraw/zinc/01/54/31/175015431.db2.gz RQYGBWKEXZCIBS-OAHLLOKOSA-N 1 0 264.332 2.493 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1nccc(=O)[nH]1)c1ccccn1 ZINC000043344827 175016276 /nfs/dbraw/zinc/01/62/76/175016276.db2.gz DZXZRGYKBDZELC-SKDRFNHKSA-N 1 0 276.365 2.148 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1cccnc1)N(C)C[C@@H]1CCCCO1 ZINC000043347544 175018077 /nfs/dbraw/zinc/01/80/77/175018077.db2.gz NOWNOIRJQDPEPP-ARFHVFGLSA-N 1 0 277.412 2.361 10 0 CEAERO CC[C@H](C)N(CCOC)[C@@H](c1cccnc1)[C@@H](C)[NH3+] ZINC000043348402 175018838 /nfs/dbraw/zinc/01/88/38/175018838.db2.gz GHQGNNNUXCQFLZ-GZBFAFLISA-N 1 0 265.401 2.217 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Oc1ccccc1C(N)=O)c1cccnc1 ZINC000043350400 175019921 /nfs/dbraw/zinc/01/99/21/175019921.db2.gz HKBOXFUUWAWCLK-ZFWWWQNUSA-N 1 0 285.347 2.038 10 0 CEAERO [NH3+]C[C@@H](Sc1nnc2n1CCCCC2)c1cccnc1 ZINC000043351921 175019972 /nfs/dbraw/zinc/01/99/72/175019972.db2.gz OVCNCLWLYOWAQT-GFCCVEGCSA-N 1 0 289.408 2.192 10 0 CEAERO [NH3+]C[C@H](c1ccncc1)N1CCc2sccc2C1 ZINC000043352935 175020308 /nfs/dbraw/zinc/02/03/08/175020308.db2.gz TXHMRUVVRMFRGQ-CYBMUJFWSA-N 1 0 259.378 2.201 10 0 CEAERO Cc1nnc(S[C@H](c2cccnc2)[C@@H](C)[NH3+])s1 ZINC000043352673 175020375 /nfs/dbraw/zinc/02/03/75/175020375.db2.gz VGZBFNYICQAVCV-XCBNKYQSSA-N 1 0 266.395 2.422 10 0 CEAERO [NH3+]C[C@@H](c1ccncc1)N1CCC[C@@H]1c1cccnc1 ZINC000043353622 175020806 /nfs/dbraw/zinc/02/08/06/175020806.db2.gz HCPICLHFGWEGCZ-CVEARBPZSA-N 1 0 268.364 2.314 10 0 CEAERO C[C@@H]([NH3+])[C@@H](OC[C@@H]1CCCCO1)c1ccncc1 ZINC000043355694 175023106 /nfs/dbraw/zinc/02/31/06/175023106.db2.gz BVLWFWOLIUVUNE-KWCYVHTRSA-N 1 0 250.342 2.056 10 0 CEAERO CC[C@H]([NH3+])[C@H](Oc1ccc(C(N)=O)cc1)c1ccncc1 ZINC000043355889 175023732 /nfs/dbraw/zinc/02/37/32/175023732.db2.gz ZZSDRMJEMOWSKB-LSDHHAIUSA-N 1 0 285.347 2.038 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccc(C)o1)N1CCN(CC)CC1 ZINC000043363782 175024042 /nfs/dbraw/zinc/02/40/42/175024042.db2.gz URGKFIYPMPKOBH-DZGCQCFKSA-N 1 0 265.401 2.004 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)N1CCOC[C@@H]1CC ZINC000043364469 175025616 /nfs/dbraw/zinc/02/56/16/175025616.db2.gz FCCQWQTVNHRKEB-GZBFAFLISA-N 1 0 266.385 2.477 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)N1CCN(C2CC2)CC1 ZINC000043364835 175025984 /nfs/dbraw/zinc/02/59/84/175025984.db2.gz SWXYBOVIUHHSJP-ZBFHGGJFSA-N 1 0 277.412 2.146 10 0 CEAERO Cc1ccc([C@@H]([C@@H](C)[NH3+])N(CCCO)C(C)C)o1 ZINC000043365164 175026143 /nfs/dbraw/zinc/02/61/43/175026143.db2.gz UXVOMDBAECHDIZ-TZMCWYRMSA-N 1 0 254.374 2.069 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)N(CCCO)C(C)C ZINC000043365171 175026656 /nfs/dbraw/zinc/02/66/56/175026656.db2.gz XDYCRFPROJNTQA-UKRRQHHQSA-N 1 0 268.401 2.459 10 0 CEAERO CC[C@@H]([NH3+])[C@H](N(C)Cc1ccncc1)C(F)(F)F ZINC000043377310 175030271 /nfs/dbraw/zinc/03/02/71/175030271.db2.gz XIYHCXCQJPOPFL-MNOVXSKESA-N 1 0 261.291 2.182 10 0 CEAERO CCOC1CCN([C@@H]([C@@H]([NH3+])CC)C(F)(F)F)CC1 ZINC000043377983 175030389 /nfs/dbraw/zinc/03/03/89/175030389.db2.gz XPXXHKRHCVUJSD-QWRGUYRKSA-N 1 0 268.323 2.156 10 0 CEAERO CC[C@H]([NH3+])[C@H](N1CCCSCC1)C(F)(F)F ZINC000043378209 175030550 /nfs/dbraw/zinc/03/05/50/175030550.db2.gz XJVXCVIIGKBEOU-IUCAKERBSA-N 1 0 256.337 2.094 10 0 CEAERO CC(=O)Nc1ccccc1O[C@@H]([C@H](C)[NH3+])C(F)(F)F ZINC000043384018 175031353 /nfs/dbraw/zinc/03/13/53/175031353.db2.gz SKBNNQWWRHUOAV-CPCISQLKSA-N 1 0 276.258 2.302 10 0 CEAERO NC(=O)[C@@H]([NH2+]CC1CC1)c1ccc(Cl)c(F)c1 ZINC000043390892 175033441 /nfs/dbraw/zinc/03/34/41/175033441.db2.gz TUBQLEMJGBNNCA-NSHDSACASA-N 1 0 256.708 2.005 10 0 CEAERO CCCn1c2ccc(F)cc2nc1[C@H]1C[NH2+]CCO1 ZINC000043705084 175099166 /nfs/dbraw/zinc/09/91/66/175099166.db2.gz FGILLDJWOYTYJS-CYBMUJFWSA-N 1 0 263.316 2.246 10 0 CEAERO O=C([C@H]1C[NH2+]CCO1)N(C1CCCCC1)C1CCCCC1 ZINC000043707606 175100769 /nfs/dbraw/zinc/10/07/69/175100769.db2.gz DUYLVPADVVHCDV-MRXNPFEDSA-N 1 0 294.439 2.469 10 0 CEAERO C[NH2+][C@H](CN1CCCC1)c1ccc(OC)cc1OC ZINC000043806962 175108605 /nfs/dbraw/zinc/10/86/05/175108605.db2.gz OQWYVBRBNXETBN-CQSZACIVSA-N 1 0 264.369 2.060 10 0 CEAERO C[NH2+][C@@H](CN1CCOCC1)c1cc2ccccc2o1 ZINC000043808154 175108864 /nfs/dbraw/zinc/10/88/64/175108864.db2.gz YEWVCPULYYNXEZ-ZDUSSCGKSA-N 1 0 260.337 2.026 10 0 CEAERO CC[NH2+][C@@H](c1ccccc1)[C@H](CC)N1CCOCC1 ZINC000043808482 175108906 /nfs/dbraw/zinc/10/89/06/175108906.db2.gz TVAKXQSTKALPBM-HOTGVXAUSA-N 1 0 262.397 2.448 10 0 CEAERO CCC[NH2+][C@@H](CN1CCOCC1)c1ccccc1OCC ZINC000043808698 175109059 /nfs/dbraw/zinc/10/90/59/175109059.db2.gz NRDUFRQRVMYSGC-INIZCTEOSA-N 1 0 292.423 2.458 10 0 CEAERO CCN(CC)C[C@@H]([NH2+]C)c1ccc(OC)c(OC)c1 ZINC000043809041 175109893 /nfs/dbraw/zinc/10/98/93/175109893.db2.gz FCPYDSCRDYAMOH-CYBMUJFWSA-N 1 0 266.385 2.306 10 0 CEAERO C[NH2+][C@H](CN(C)C1CC1)c1ccc(OC)c(OC)c1 ZINC000043822800 175114310 /nfs/dbraw/zinc/11/43/10/175114310.db2.gz JDNPWHNTMJTSBU-CYBMUJFWSA-N 1 0 264.369 2.059 10 0 CEAERO CC[NH2+][C@@H]1CCC2(C[C@H]1N(C)C1CCCC1)OCCO2 ZINC000043884041 175116550 /nfs/dbraw/zinc/11/65/50/175116550.db2.gz PWLOGUKLHURVJH-HUUCEWRRSA-N 1 0 282.428 2.135 10 0 CEAERO CCC[NH2+][C@@H]1c2ccccc2OC[C@H]1N1CCOC[C@@H]1C ZINC000043891915 175118806 /nfs/dbraw/zinc/11/88/06/175118806.db2.gz GJDCCPWEKXLHBS-YSVLISHTSA-N 1 0 290.407 2.209 10 0 CEAERO C[NH2+][C@@H](CN(C)Cc1ccccn1)c1ccccc1OC ZINC000043894268 175119557 /nfs/dbraw/zinc/11/95/57/175119557.db2.gz AOCZQSSWLPTQOR-INIZCTEOSA-N 1 0 285.391 2.483 10 0 CEAERO CC[NH2+][C@H](CN1CCOC(C)(C)C1)c1ccccc1 ZINC000043897792 175120454 /nfs/dbraw/zinc/12/04/54/175120454.db2.gz AYSSTAGROBYDKW-OAHLLOKOSA-N 1 0 262.397 2.448 10 0 CEAERO CC[NH2+][C@@H]1CCOC[C@@H]1N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000043900037 175121692 /nfs/dbraw/zinc/12/16/92/175121692.db2.gz QJIISSCGMZMPJZ-JJXSEGSLSA-N 1 0 266.429 2.266 10 0 CEAERO C[NH2+][C@H]1c2ccccc2OC[C@@H]1N(C)CC(F)(F)F ZINC000043900809 175122049 /nfs/dbraw/zinc/12/20/49/175122049.db2.gz YDLLVGDDBTVYBR-JQWIXIFHSA-N 1 0 274.286 2.202 10 0 CEAERO CC[NH2+][C@H]1CCCC[C@H]1N(C)CCc1ccncc1 ZINC000043902167 175122908 /nfs/dbraw/zinc/12/29/08/175122908.db2.gz CXYDUAHXGWXBGF-JKSUJKDBSA-N 1 0 261.413 2.477 10 0 CEAERO CC[C@@H]1CO[C@H](C)CN1[C@@H]1COc2ccccc2[C@@H]1[NH2+]C ZINC000043913925 175124137 /nfs/dbraw/zinc/12/41/37/175124137.db2.gz FLZNXYOVGBGSLH-SMKXDYDZSA-N 1 0 290.407 2.207 10 0 CEAERO CC[NH2+][C@H]1CCC2(C[C@@H]1N(C)CCC(C)C)OCCO2 ZINC000043914915 175124383 /nfs/dbraw/zinc/12/43/83/175124383.db2.gz UTTXYVNSXDODAI-GJZGRUSLSA-N 1 0 284.444 2.238 10 0 CEAERO CCC[NH2+][C@H]1c2ccccc2C[C@@H]1N(C)CCOC ZINC000043916313 175125009 /nfs/dbraw/zinc/12/50/09/175125009.db2.gz MFWZVVTZIICCML-HOTGVXAUSA-N 1 0 262.397 2.230 10 0 CEAERO CC[NH2+][C@@H](c1ccccc1)[C@@H](C)N(C)CCOC ZINC000043915721 175125128 /nfs/dbraw/zinc/12/51/28/175125128.db2.gz OCEKFBWCRUDXHU-UKRRQHHQSA-N 1 0 250.386 2.304 10 0 CEAERO CCOc1ccc([C@H](CN2CCOCC2(C)C)[NH2+]C)cc1 ZINC000043916725 175125854 /nfs/dbraw/zinc/12/58/54/175125854.db2.gz BOABBSRYKASDLN-INIZCTEOSA-N 1 0 292.423 2.457 10 0 CEAERO C[NH2+][C@H]1c2ccc(OC)cc2CC[C@H]1N(C)[C@@H](C)COC ZINC000043969135 175130470 /nfs/dbraw/zinc/13/04/70/175130470.db2.gz OBFUNLGOSBRNQI-VUCTXSBTSA-N 1 0 292.423 2.237 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2C[C@@H]1N(C)[C@@H](C)COC ZINC000043969209 175130670 /nfs/dbraw/zinc/13/06/70/175130670.db2.gz JKZLXCIQUOBBJL-VBNZEHGJSA-N 1 0 262.397 2.229 10 0 CEAERO CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N(CCCOC)CCOC ZINC000043970964 175132010 /nfs/dbraw/zinc/13/20/10/175132010.db2.gz PHVISCQNQQALPJ-JYJNAYRXSA-N 1 0 286.460 2.138 10 0 CEAERO CCO[C@H]1CCCN([C@@H]2COc3ccccc3[C@@H]2[NH2+]C)C1 ZINC000043971463 175132923 /nfs/dbraw/zinc/13/29/23/175132923.db2.gz YHPBYIRISXMVSG-LXZKKBNFSA-N 1 0 290.407 2.209 10 0 CEAERO CCc1ccc([C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000044117068 175142010 /nfs/dbraw/zinc/14/20/10/175142010.db2.gz ICTKJDSFHKKREU-ZENOOKHLSA-N 1 0 263.381 2.392 10 0 CEAERO CCCc1ccc([C@H](O)C[NH+](CCOC)CCOC)cc1 ZINC000044177058 175150084 /nfs/dbraw/zinc/15/00/84/175150084.db2.gz SMVHXPHJXXYOJJ-QGZVFWFLSA-N 1 0 295.423 2.267 10 0 CEAERO Brc1cccnc1NC[C@@H]1CCC[NH2+]C1 ZINC000044503081 175186339 /nfs/dbraw/zinc/18/63/39/175186339.db2.gz VKHYABATYDQMIA-SECBINFHSA-N 1 0 270.174 2.256 10 0 CEAERO C[NH2+][C@@H]1CCCc2cc(O[C@H](C)C(=O)OC)ccc21 ZINC000044745098 175241518 /nfs/dbraw/zinc/24/15/18/175241518.db2.gz INMHYNBJXZAXHU-QMTHXVAHSA-N 1 0 263.337 2.224 10 0 CEAERO CCOC(=O)COc1ccc2c(c1)CCC[C@@H]2[NH2+]C ZINC000044745269 175241581 /nfs/dbraw/zinc/24/15/81/175241581.db2.gz WGYWBOHMIVGLIP-AWEZNQCLSA-N 1 0 263.337 2.225 10 0 CEAERO C[NH2+][C@@H]1CCCc2cc(OCc3nnc(C)n3C)ccc21 ZINC000044745336 175241677 /nfs/dbraw/zinc/24/16/77/175241677.db2.gz HBMXCSXZUAMGAK-OAHLLOKOSA-N 1 0 286.379 2.299 10 0 CEAERO [NH3+]CC1(C(=O)Nc2c(F)cccc2F)CCCC1 ZINC000044762375 175246686 /nfs/dbraw/zinc/24/66/86/175246686.db2.gz JMWJHEPCPIEEAB-UHFFFAOYSA-N 1 0 254.280 2.422 10 0 CEAERO CN(C(=O)[C@@H](C[NH3+])Cc1ccccc1)C1CCCC1 ZINC000044800437 175255740 /nfs/dbraw/zinc/25/57/40/175255740.db2.gz ZYVXONKFZUNDLX-CQSZACIVSA-N 1 0 260.381 2.205 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000044806214 175256687 /nfs/dbraw/zinc/25/66/87/175256687.db2.gz DJAJGIWSOFOXFX-CMPLNLGQSA-N 1 0 252.333 2.378 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)Nc1ccccc1COC ZINC000044806261 175256709 /nfs/dbraw/zinc/25/67/09/175256709.db2.gz RLAQAZOMEATFDO-LLVKDONJSA-N 1 0 250.342 2.147 10 0 CEAERO CCN(c1cccc(F)c1)[C@@H](C[NH3+])c1cnn(C)c1 ZINC000044885058 175270309 /nfs/dbraw/zinc/27/03/09/175270309.db2.gz UISYYNHKLOTMPI-AWEZNQCLSA-N 1 0 262.332 2.086 10 0 CEAERO C[C@H](C[NH2+][C@@H](C)C(=O)Nc1ccccc1)N1CCCCC1 ZINC000044993148 175286532 /nfs/dbraw/zinc/28/65/32/175286532.db2.gz AFXDIRKZPNJINU-CABCVRRESA-N 1 0 289.423 2.478 10 0 CEAERO C[N@H+](CC(=O)Nc1cc(F)ccc1N)CC(C)(C)C ZINC000045065086 175299489 /nfs/dbraw/zinc/29/94/89/175299489.db2.gz CKRPHXYUTGRZHW-UHFFFAOYSA-N 1 0 267.348 2.324 10 0 CEAERO Cn1cc([C@H](CN)[N@@H+]2CCC[C@@H]2C2CCCC2)cn1 ZINC000045067050 175300336 /nfs/dbraw/zinc/30/03/36/175300336.db2.gz XKHWBPBAMPTGQK-CABCVRRESA-N 1 0 262.401 2.075 10 0 CEAERO C[C@@H](Cn1c(N)nc2cc(Br)ccc21)[NH+](C)C ZINC000045108625 175308723 /nfs/dbraw/zinc/30/87/23/175308723.db2.gz WEDQQVXPCLGKLJ-QMMMGPOBSA-N 1 0 297.200 2.331 10 0 CEAERO C[NH2+][C@H](C)c1cccc(S(=O)(=O)N[C@@H]2CC2(C)C)c1 ZINC000045138144 175314820 /nfs/dbraw/zinc/31/48/20/175314820.db2.gz VCVGZIUKYQPSCO-ZWNOBZJWSA-N 1 0 282.409 2.044 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]CC[C@@H]1CCCO1 ZINC000045172041 175321949 /nfs/dbraw/zinc/32/19/49/175321949.db2.gz ANLOCDRPFQOPMQ-MFKMUULPSA-N 1 0 251.374 2.257 10 0 CEAERO CCCN[C@@](C)(CN1CCc2ccccc21)C(=O)OCC ZINC000045224255 175332154 /nfs/dbraw/zinc/33/21/54/175332154.db2.gz MMKVZZDGRDJNRN-KRWDZBQOSA-N 1 0 290.407 2.371 10 0 CEAERO CCOC(=O)[C@](C[N@H+](C)C(C)C)(NC)c1ccccc1 ZINC000045229351 175334150 /nfs/dbraw/zinc/33/41/50/175334150.db2.gz KAJOPENJXLXCSW-MRXNPFEDSA-N 1 0 278.396 2.005 10 0 CEAERO CCC[NH2+][C@](C)(CC[NH+]1CCCCCC1)C(=O)[O-] ZINC000045228842 175334434 /nfs/dbraw/zinc/33/44/34/175334434.db2.gz XYVSZBGPQOUYJB-CQSZACIVSA-N 1 0 256.390 2.095 10 0 CEAERO CCN[C@@](C[N@H+](C)CC(C)C)(C(=O)OC)c1ccccc1 ZINC000045263466 175337831 /nfs/dbraw/zinc/33/78/31/175337831.db2.gz KAIWODNOHMZWET-QGZVFWFLSA-N 1 0 292.423 2.252 10 0 CEAERO CCCN[C@](C)(CC[N@H+](CC)[C@@H](C)CC)C(=O)OC ZINC000045266600 175339174 /nfs/dbraw/zinc/33/91/74/175339174.db2.gz TXFVBMQKTULPQW-DZGCQCFKSA-N 1 0 272.433 2.428 10 0 CEAERO CN[C@@](C[N@H+](C)[C@@H](C)C1CC1)(C(=O)OC)c1ccccc1 ZINC000045270193 175341909 /nfs/dbraw/zinc/34/19/09/175341909.db2.gz IIJOHJQXZYMISU-SUMWQHHRSA-N 1 0 290.407 2.005 10 0 CEAERO CCN(C[C@](C)([NH2+]C(C)C)C(N)=O)c1cccc(C)c1 ZINC000045273191 175344143 /nfs/dbraw/zinc/34/41/43/175344143.db2.gz KKZHKQDJKDILIY-INIZCTEOSA-N 1 0 277.412 2.063 10 0 CEAERO CCCC[N@H+](CC[C@](C)([NH2+]CC)C(=O)[O-])C1CC1 ZINC000045276300 175346486 /nfs/dbraw/zinc/34/64/86/175346486.db2.gz KLLKCPDZHVIROY-AWEZNQCLSA-N 1 0 256.390 2.094 10 0 CEAERO CCC[N@H+](CC[C@@](C)(NC1CC1)C(=O)OC)CC1CC1 ZINC000045276952 175346739 /nfs/dbraw/zinc/34/67/39/175346739.db2.gz MNHLSAUBVXUIFE-MRXNPFEDSA-N 1 0 282.428 2.182 10 0 CEAERO CCCN[C@](C)(CC[N@H+](CC1CC1)C(C)C)C(=O)OC ZINC000045281048 175351140 /nfs/dbraw/zinc/35/11/40/175351140.db2.gz WKGZJQNCUSFPHZ-MRXNPFEDSA-N 1 0 284.444 2.428 10 0 CEAERO CC(C)C[N@H+](CC[C@@](C)([NH2+]C1CC1)C(=O)[O-])C(C)C ZINC000045280742 175351156 /nfs/dbraw/zinc/35/11/56/175351156.db2.gz DQNDZRJHSFJLHZ-OAHLLOKOSA-N 1 0 270.417 2.338 10 0 CEAERO CCOC(=O)[C@@](C)(CC[N@H+](CC1CC1)C(C)C)NC ZINC000045281031 175351335 /nfs/dbraw/zinc/35/13/35/175351335.db2.gz VKILIPQFGHDNJM-OAHLLOKOSA-N 1 0 270.417 2.038 10 0 CEAERO CCC[NH2+][C@](C)(CC[NH+]1CCC(CC)CC1)C(=O)[O-] ZINC000045281418 175351768 /nfs/dbraw/zinc/35/17/68/175351768.db2.gz BAHSXYUJBSBRMQ-OAHLLOKOSA-N 1 0 270.417 2.341 10 0 CEAERO CCN[C@](C)(CC[NH+]1CCC(CC)CC1)C(=O)OCC ZINC000045281453 175353155 /nfs/dbraw/zinc/35/31/55/175353155.db2.gz HQOOVAPNCHDWGL-MRXNPFEDSA-N 1 0 284.444 2.430 10 0 CEAERO CCOC(=O)[C@@](C)(CCC[N@H+]1C[C@H](C)C[C@H](C)C1)NC ZINC000045373535 175364826 /nfs/dbraw/zinc/36/48/26/175364826.db2.gz TVAFQLLIOOPCLF-IJEWVQPXSA-N 1 0 284.444 2.286 10 0 CEAERO CCOC(=O)[C@](C)(CCC[NH+]1CCCC1)NC(C)C ZINC000045375406 175366361 /nfs/dbraw/zinc/36/63/61/175366361.db2.gz WCIRTSSBLKGHKU-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CCOC(=O)[C@@](C)(CCC[N@H+](C)C(C)C)NC1CC1 ZINC000045378103 175367775 /nfs/dbraw/zinc/36/77/75/175367775.db2.gz FUBOXLLJDGPJPY-OAHLLOKOSA-N 1 0 270.417 2.181 10 0 CEAERO CC[N@H+](CCC[C@](C)(NC1CC1)C(=O)OC)CC(C)C ZINC000045381886 175369918 /nfs/dbraw/zinc/36/99/18/175369918.db2.gz AGAPDYKQCIFLBE-INIZCTEOSA-N 1 0 284.444 2.428 10 0 CEAERO CCC[N@H+](C[C@@H](NC(C)C)C(=O)OCC)C(C)C ZINC000045385733 175372246 /nfs/dbraw/zinc/37/22/46/175372246.db2.gz RLMNCKROIPVDGY-CYBMUJFWSA-N 1 0 258.406 2.037 10 0 CEAERO CCCCC[N@H+](C)CCC[C@@](C)(NC)C(=O)OC ZINC000045388116 175374040 /nfs/dbraw/zinc/37/40/40/175374040.db2.gz KHEMVJROSTZEIA-CQSZACIVSA-N 1 0 258.406 2.040 10 0 CEAERO CC[N@H+](CCCC[C@](C)([NH2+]C)C(=O)[O-])C1CCCC1 ZINC000045390410 175375077 /nfs/dbraw/zinc/37/50/77/175375077.db2.gz VEDCULATVURURW-HNNXBMFYSA-N 1 0 270.417 2.484 10 0 CEAERO CCOC(=O)[C@](C)([NH3+])CCCCN(CC)CC(F)(F)F ZINC000045420592 175379104 /nfs/dbraw/zinc/37/91/04/175379104.db2.gz RGUUHOGSDLLBCY-GFCCVEGCSA-N 1 0 298.349 2.321 10 0 CEAERO CCCC[N@H+](CCCC[C@](C)([NH3+])C(=O)[O-])C1CC1 ZINC000045421669 175379911 /nfs/dbraw/zinc/37/99/11/175379911.db2.gz ITELHCTYIXOAKY-AWEZNQCLSA-N 1 0 256.390 2.223 10 0 CEAERO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1cccc(F)c1F ZINC000658241642 415273595 /nfs/dbraw/zinc/27/35/95/415273595.db2.gz YNOGDCAQHLEBMY-NXEZZACHSA-N 1 0 268.307 2.094 10 0 CEAERO CN1C[C@@H](C[NH2+][C@H]2CCSc3ccccc32)CC1=O ZINC000658243365 415278808 /nfs/dbraw/zinc/27/88/08/415278808.db2.gz COEFJONRLGVCMA-YPMHNXCESA-N 1 0 276.405 2.291 10 0 CEAERO COc1ccc(C)cc1[C@H](C)[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000658246341 415281202 /nfs/dbraw/zinc/28/12/02/415281202.db2.gz YMHWZTXBRMVVEL-QWHCGFSZSA-N 1 0 276.380 2.133 10 0 CEAERO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC(=O)N(C)C2)cc1C ZINC000658245326 415281354 /nfs/dbraw/zinc/28/13/54/415281354.db2.gz RJDLSQYLDVCDHV-UONOGXRCSA-N 1 0 260.381 2.432 10 0 CEAERO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC(=O)N(C)C2)c(C)c1 ZINC000658246110 415281411 /nfs/dbraw/zinc/28/14/11/415281411.db2.gz XOWQLKZXWMEZAA-UONOGXRCSA-N 1 0 260.381 2.432 10 0 CEAERO C[C@]1(C(=O)N2CCC[C@@H](OC3CCC3)C2)CCCC[NH2+]1 ZINC000655494615 415304585 /nfs/dbraw/zinc/30/45/85/415304585.db2.gz DUNXDJKTZRMLCX-GDBMZVCRSA-N 1 0 280.412 2.079 10 0 CEAERO COc1ccc2c(c1)CN(C(=O)C1CCC([NH3+])CC1)C2 ZINC000655502780 415313995 /nfs/dbraw/zinc/31/39/95/415313995.db2.gz XMOSRKYZEFACOB-UHFFFAOYSA-N 1 0 274.364 2.055 10 0 CEAERO CC(C)C[NH2+]Cc1ccc(OCCn2cncn2)cc1 ZINC000052575144 175535873 /nfs/dbraw/zinc/53/58/73/175535873.db2.gz CXCTYBDWNKXLMM-UHFFFAOYSA-N 1 0 274.368 2.103 10 0 CEAERO Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2CCCO)c1C ZINC000052761965 175538196 /nfs/dbraw/zinc/53/81/96/175538196.db2.gz PSUDDUPXXSRVBP-OAHLLOKOSA-N 1 0 290.407 2.479 10 0 CEAERO C[C@@H]([NH2+]C1CC(CO)C1)c1ccc(Br)cn1 ZINC000658352363 415332320 /nfs/dbraw/zinc/33/23/20/415332320.db2.gz FOAIYTKLFSWXHI-FKTRJACZSA-N 1 0 285.185 2.266 10 0 CEAERO CCCCOC[C@H](O)C[N@@H+]1CCC[C@H](CCF)C1 ZINC000661688331 415401145 /nfs/dbraw/zinc/40/11/45/415401145.db2.gz FRUIHFVEPZJBTM-ZIAGYGMSSA-N 1 0 261.381 2.236 10 0 CEAERO CC1CC(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000658956700 415370204 /nfs/dbraw/zinc/37/02/04/415370204.db2.gz IKMLPEJOAZMWEJ-HNFVBEJKSA-N 1 0 264.413 2.271 10 0 CEAERO CN(CCOc1ccccc1)c1ccc(C(N)=[NH2+])cc1 ZINC000061951751 175658553 /nfs/dbraw/zinc/65/85/53/175658553.db2.gz VBPCJHYTQKYOLT-UHFFFAOYSA-N 1 0 269.348 2.486 10 0 CEAERO CC(C)CC[C@H](C)[NH2+]C[C@@H](O)COCCOC(C)C ZINC000070185060 175880182 /nfs/dbraw/zinc/88/01/82/175880182.db2.gz QMQVYETWBQGJMF-LSDHHAIUSA-N 1 0 275.433 2.203 10 0 CEAERO CC[C@@H]1C[C@](CO)([NH2+]Cc2cccs2)CCO1 ZINC000070372288 175899058 /nfs/dbraw/zinc/89/90/58/175899058.db2.gz GNHXYRGGOKBJHB-DGCLKSJQSA-N 1 0 255.383 2.158 10 0 CEAERO O=C([C@@H]1CCCS1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000070437531 175932071 /nfs/dbraw/zinc/93/20/71/175932071.db2.gz DMHXERLSKSZDKX-XQQFMLRXSA-N 1 0 268.426 2.015 10 0 CEAERO CC(C)[C@@H]([NH3+])CNC(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000070446748 175938312 /nfs/dbraw/zinc/93/83/12/175938312.db2.gz JQDGHLRIMUWIKM-YFKPBYRVSA-N 1 0 296.239 2.095 10 0 CEAERO CC[NH2+]C[C@@H]1CC[C@H](Cn2cc(C(F)(F)F)cn2)O1 ZINC000070467858 175947883 /nfs/dbraw/zinc/94/78/83/175947883.db2.gz JIUWRLJEGNQZEU-WDEREUQCSA-N 1 0 277.290 2.059 10 0 CEAERO CCC[NH2+]C[C@H]1CC[C@H](Cn2cc(C(F)(F)F)cn2)O1 ZINC000070467811 175947900 /nfs/dbraw/zinc/94/79/00/175947900.db2.gz ANYRRJVBNPIDJB-VXGBXAGGSA-N 1 0 291.317 2.449 10 0 CEAERO COCC[NH2+]C[C@@]1(CCOCCOC)C[C@H]2CC[C@@H]1C2 ZINC000070483238 175953520 /nfs/dbraw/zinc/95/35/20/175953520.db2.gz LVGLZDWZIQUKMX-ARFHVFGLSA-N 1 0 285.428 2.082 10 0 CEAERO Cc1ccnc(N[C@H](CC(C)C)C[NH+](C)C)c1N ZINC000070496413 175957466 /nfs/dbraw/zinc/95/74/66/175957466.db2.gz YTQREAYPEGSVBI-GFCCVEGCSA-N 1 0 250.390 2.360 10 0 CEAERO O[C@]1(Cc2ccc3c(c2)CCC3)CC[N@@H+](C2CC2)C1 ZINC000070499760 175958371 /nfs/dbraw/zinc/95/83/71/175958371.db2.gz IEWXLWDMLCGKDM-KRWDZBQOSA-N 1 0 257.377 2.317 10 0 CEAERO [NH3+][C@H]1CCC[C@H](C(=O)Nc2cccc(-c3nnco3)c2)C1 ZINC000070577489 175993114 /nfs/dbraw/zinc/99/31/14/175993114.db2.gz VTWOJOVPSKHOIM-JQWIXIFHSA-N 1 0 286.335 2.193 10 0 CEAERO [NH3+]Cc1ccnn1Cc1ccc(Br)s1 ZINC000070708219 176002275 /nfs/dbraw/zinc/00/22/75/176002275.db2.gz UZWQEWHOXRVPNW-UHFFFAOYSA-N 1 0 272.171 2.214 10 0 CEAERO [NH3+]Cc1ccnn1Cc1ccc(F)c(Br)c1 ZINC000070708248 176002659 /nfs/dbraw/zinc/00/26/59/176002659.db2.gz ORRQNWSNAYFZQI-UHFFFAOYSA-N 1 0 284.132 2.292 10 0 CEAERO Cc1csc([C@H](C)[NH2+]C2CCS(=O)CC2)n1 ZINC000070732649 176004162 /nfs/dbraw/zinc/00/41/62/176004162.db2.gz DXSYQNCZJXFFNK-CYWKSYIRSA-N 1 0 258.412 2.013 10 0 CEAERO O=C(NCCc1c(Cl)cccc1Cl)[C@H]1CCC[NH2+]1 ZINC000070804879 176006166 /nfs/dbraw/zinc/00/61/66/176006166.db2.gz PXVNWRSKBHFYKL-GFCCVEGCSA-N 1 0 287.190 2.404 10 0 CEAERO C[NH2+]C[C@H]1CCN(c2ncc(Cl)cc2Cl)C1 ZINC000070800293 176006221 /nfs/dbraw/zinc/00/62/21/176006221.db2.gz GQKKPZRKVWGWFG-MRVPVSSYSA-N 1 0 260.168 2.434 10 0 CEAERO CN(C[C@H]1CC[N@H+](C)C1)c1ccc(Br)cn1 ZINC000070823933 176007266 /nfs/dbraw/zinc/00/72/66/176007266.db2.gz DRVYEIXPDVOZLK-JTQLQIEISA-N 1 0 284.201 2.232 10 0 CEAERO C[C@H]([NH2+]CCc1nnc[nH]1)c1ccc(Cl)s1 ZINC000070819394 176007289 /nfs/dbraw/zinc/00/72/89/176007289.db2.gz UHNKRNVDODMFAX-ZETCQYMHSA-N 1 0 256.762 2.413 10 0 CEAERO [NH3+][C@@H]1CCC(=O)N[C@H]1c1cccc(Cl)c1Cl ZINC000070824498 176008014 /nfs/dbraw/zinc/00/80/14/176008014.db2.gz ZYWUOOHXBIRLEQ-KCJUWKMLSA-N 1 0 259.136 2.272 10 0 CEAERO [NH3+][C@H]1CCC(=O)N[C@@H]1c1cccc(Cl)c1Cl ZINC000070824500 176008016 /nfs/dbraw/zinc/00/80/16/176008016.db2.gz ZYWUOOHXBIRLEQ-GZMMTYOYSA-N 1 0 259.136 2.272 10 0 CEAERO [NH3+]C[C@H](CSc1nncs1)c1ccccc1 ZINC000070836487 176008281 /nfs/dbraw/zinc/00/82/81/176008281.db2.gz DRJCQSZEIVQUBU-SNVBAGLBSA-N 1 0 251.380 2.373 10 0 CEAERO Cc1nc(CNC2=[NH+]C[C@@H](C3CC3)S2)cs1 ZINC000070888465 176010250 /nfs/dbraw/zinc/01/02/50/176010250.db2.gz SBTXJGSBPRVYHT-JTQLQIEISA-N 1 0 253.396 2.423 10 0 CEAERO Cc1ccc([C@@H]2[C@H]([NH3+])CCC(=O)N2C2CC2)c(C)c1 ZINC000070987299 176018586 /nfs/dbraw/zinc/01/85/86/176018586.db2.gz QEMLYWUMEAOUQU-GDBMZVCRSA-N 1 0 258.365 2.457 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN([C@H](C)Cc2ccccc2)C1=O ZINC000071031337 176022342 /nfs/dbraw/zinc/02/23/42/176022342.db2.gz NNMQEPMCWYPNDT-UKRRQHHQSA-N 1 0 260.381 2.217 10 0 CEAERO CC[NH2+][C@H]1CCCN([C@@H](C)Cc2ccccc2)C1=O ZINC000071031352 176022448 /nfs/dbraw/zinc/02/24/48/176022448.db2.gz CVDJDMNGQVZGGP-ZFWWWQNUSA-N 1 0 260.381 2.218 10 0 CEAERO COc1ccc(Cl)c(N2CC[C@@H]([NH2+]C3CC3)C2=O)c1 ZINC000071031621 176022935 /nfs/dbraw/zinc/02/29/35/176022935.db2.gz WEVOIDZLCRSCDU-GFCCVEGCSA-N 1 0 280.755 2.206 10 0 CEAERO CC[NH2+][C@H]1CCCN([C@H]2C[C@@H]2c2ccccc2)C1=O ZINC000071031703 176023037 /nfs/dbraw/zinc/02/30/37/176023037.db2.gz PFLKCKYRTUXKRV-ILXRZTDVSA-N 1 0 258.365 2.143 10 0 CEAERO CC[NH2+][C@@H]1CCCN([C@H](C)c2ccc(C)o2)C1=O ZINC000071033747 176024047 /nfs/dbraw/zinc/02/40/47/176024047.db2.gz BWXZZRKSAADGPR-VXGBXAGGSA-N 1 0 250.342 2.250 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCCN1Cc1ccc(F)c(F)c1 ZINC000071034463 176024589 /nfs/dbraw/zinc/02/45/89/176024589.db2.gz RMGSPRMELDDXQL-CQSZACIVSA-N 1 0 280.318 2.208 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCCN1Cc1ccc(F)cc1F ZINC000071042061 176028528 /nfs/dbraw/zinc/02/85/28/176028528.db2.gz XRMDJHQCGHKYQX-AWEZNQCLSA-N 1 0 280.318 2.208 10 0 CEAERO COc1ccc(N2CCC[C@@H]([NH2+]C3CC3)C2=O)c(C)c1 ZINC000071042635 176028815 /nfs/dbraw/zinc/02/88/15/176028815.db2.gz FAWZKFADMKLYPO-CQSZACIVSA-N 1 0 274.364 2.251 10 0 CEAERO CC(C)[NH2+][C@H]1CCN([C@H]2CCOc3ccccc32)C1=O ZINC000071043228 176029392 /nfs/dbraw/zinc/02/93/92/176029392.db2.gz DPCXOSIKECIKPP-KBPBESRZSA-N 1 0 274.364 2.109 10 0 CEAERO CCC[NH2+][C@@H]1CCCN([C@H]2COc3ccccc32)C1=O ZINC000071044265 176029975 /nfs/dbraw/zinc/02/99/75/176029975.db2.gz MRROBGNPXLXRJZ-KGLIPLIRSA-N 1 0 274.364 2.111 10 0 CEAERO CC[C@@H](CC1CC1)N1CCC[C@@H]([NH2+]C2CC2)C1=O ZINC000071043915 176030018 /nfs/dbraw/zinc/03/00/18/176030018.db2.gz UEFZHXQLZBNNGI-UONOGXRCSA-N 1 0 250.386 2.308 10 0 CEAERO CCC[NH2+][C@@H]1CCCN([C@@H]2COc3ccccc32)C1=O ZINC000071044260 176030036 /nfs/dbraw/zinc/03/00/36/176030036.db2.gz MRROBGNPXLXRJZ-ZIAGYGMSSA-N 1 0 274.364 2.111 10 0 CEAERO CN(C)C(C)(C)C[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000071090973 176031031 /nfs/dbraw/zinc/03/10/31/176031031.db2.gz HOCXHMKRFBUMNI-HNNXBMFYSA-N 1 0 262.397 2.230 10 0 CEAERO Cc1nccc(C[NH2+]C[C@H]2OCCc3ccccc32)n1 ZINC000071090744 176031494 /nfs/dbraw/zinc/03/14/94/176031494.db2.gz MFEMUEKHYQQBDU-MRXNPFEDSA-N 1 0 269.348 2.189 10 0 CEAERO CCN(C[C@H]1OCCc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000071092217 176032022 /nfs/dbraw/zinc/03/20/22/176032022.db2.gz UNDROZLFSNUAOH-NVXWUHKLSA-N 1 0 274.408 2.374 10 0 CEAERO CC[C@H]([NH3+])Cc1cnn(C[C@@H]2OCCc3ccccc32)c1 ZINC000071099195 176032969 /nfs/dbraw/zinc/03/29/69/176032969.db2.gz RBHVMVCITUYREQ-RDJZCZTQSA-N 1 0 285.391 2.477 10 0 CEAERO CC[C@@H]1CCC[C@H](OCCC(=O)N(C)CCC[NH3+])C1 ZINC000071130854 176035830 /nfs/dbraw/zinc/03/58/30/176035830.db2.gz ZTVJKXRDYMOIDE-KGLIPLIRSA-N 1 0 270.417 2.169 10 0 CEAERO CC[C@H]1CCC[C@@](CO)([NH2+]CCN(CC)CC)C1 ZINC000071127824 176035923 /nfs/dbraw/zinc/03/59/23/176035923.db2.gz LWPUEZRYQWKVDL-LSDHHAIUSA-N 1 0 256.434 2.249 10 0 CEAERO O[C@@H](C[NH2+]CCc1cc(F)cc(F)c1)c1ccco1 ZINC000071138003 176036295 /nfs/dbraw/zinc/03/62/95/176036295.db2.gz CGXJKQUFENGULE-ZDUSSCGKSA-N 1 0 267.275 2.424 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)c2cc3ccccc3cc2O)C1 ZINC000071140091 176038554 /nfs/dbraw/zinc/03/85/54/176038554.db2.gz NMPYJWKUCIMZLY-AWEZNQCLSA-N 1 0 284.359 2.322 10 0 CEAERO CC[C@@H]1CCC[C@H](Sc2nnc(C[NH3+])n2C)C1 ZINC000071150241 176044954 /nfs/dbraw/zinc/04/49/54/176044954.db2.gz CSRWJPQQPZJBCL-ZJUUUORDSA-N 1 0 254.403 2.335 10 0 CEAERO CC[C@H]1CCCC[C@@]1(CN)[N@H+](C)C1CCOCC1 ZINC000071161684 176046752 /nfs/dbraw/zinc/04/67/52/176046752.db2.gz FGZNLRHKZCDTSK-ZFWWWQNUSA-N 1 0 254.418 2.395 10 0 CEAERO COc1ccc(C[C@@](C)(C[NH3+])N2CCCSCC2)cc1 ZINC000071169159 176050030 /nfs/dbraw/zinc/05/00/30/176050030.db2.gz HXVQPVHNDOVPIN-INIZCTEOSA-N 1 0 294.464 2.394 10 0 CEAERO C[NH2+][C@H]1CCCN([C@@H](C)Cc2ccc(OC)cc2)C1 ZINC000071169815 176050674 /nfs/dbraw/zinc/05/06/74/176050674.db2.gz XNMDHYFMHPJOHL-ZFWWWQNUSA-N 1 0 262.397 2.310 10 0 CEAERO CCCN(c1cncc(OCC)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000071176026 176055031 /nfs/dbraw/zinc/05/50/31/176055031.db2.gz UNPWEDSBKYZIFH-PBWFPOADSA-N 1 0 290.411 2.375 10 0 CEAERO CCOc1cncc(N[C@]2(C[NH3+])CCC[C@@H](C)C2)n1 ZINC000071177483 176055387 /nfs/dbraw/zinc/05/53/87/176055387.db2.gz KKTLPGWZOHSCHH-BXUZGUMPSA-N 1 0 264.373 2.195 10 0 CEAERO CCOc1cncc(N2CCC[C@@H]2C[NH2+]CC(C)C)n1 ZINC000071176861 176055409 /nfs/dbraw/zinc/05/54/09/176055409.db2.gz FQZYUQOJBMAKMT-CYBMUJFWSA-N 1 0 278.400 2.090 10 0 CEAERO CCC[NH2+][C@@H](C)c1cccc(O[C@H]2CCN(C)C2=O)c1 ZINC000071182942 176058108 /nfs/dbraw/zinc/05/81/08/176058108.db2.gz MSZUCNCFHDDQSG-WFASDCNBSA-N 1 0 276.380 2.357 10 0 CEAERO CCC[C@@H]([NH2+][C@H]1CCN(C)C1=O)c1cccs1 ZINC000071183727 176059207 /nfs/dbraw/zinc/05/92/07/176059207.db2.gz CPWHIOFFQGLCEK-MNOVXSKESA-N 1 0 252.383 2.410 10 0 CEAERO CN(C[C@@H]1CC[N@H+](C)C1)c1cccc(Cl)c1CO ZINC000071189642 176065486 /nfs/dbraw/zinc/06/54/86/176065486.db2.gz OZXWWSIAOMLJJK-LLVKDONJSA-N 1 0 268.788 2.220 10 0 CEAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cccc2c1CCCN2 ZINC000071190534 176066455 /nfs/dbraw/zinc/06/64/55/176066455.db2.gz ZVGCIQUEPVYWKG-CYBMUJFWSA-N 1 0 287.407 2.068 10 0 CEAERO CN(C[C@H]1CC[N@H+](C)C1)c1nc2c(s1)C(=O)CCC2 ZINC000071192482 176074623 /nfs/dbraw/zinc/07/46/23/176074623.db2.gz FKBSZKMDFXCDED-JTQLQIEISA-N 1 0 279.409 2.050 10 0 CEAERO COc1ccc(CCN2CC[C@H]([NH2+]C3CC3)C2)cc1 ZINC000071197903 176076818 /nfs/dbraw/zinc/07/68/18/176076818.db2.gz NEIMPGMTSRSZJE-HNNXBMFYSA-N 1 0 260.381 2.064 10 0 CEAERO CCC[NH2+][C@H]1CCCN(Cc2nc(C)cs2)C1 ZINC000071200859 176077844 /nfs/dbraw/zinc/07/78/44/176077844.db2.gz NTVCKPDKLNJREW-LBPRGKRZSA-N 1 0 253.415 2.416 10 0 CEAERO COc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCC[C@@H]1C ZINC000071207689 176081053 /nfs/dbraw/zinc/08/10/53/176081053.db2.gz CVUBYVVUICARFY-IHRRRGAJSA-N 1 0 279.380 2.213 10 0 CEAERO C[C@@H]([NH3+])c1cccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2C)c1 ZINC000071209860 176082193 /nfs/dbraw/zinc/08/21/93/176082193.db2.gz DXQHMTDCHBYIHM-MISXGVKJSA-N 1 0 282.409 2.173 10 0 CEAERO CC[NH2+][C@H](CC)Cn1cc(C(F)(F)F)ccc1=O ZINC000071211955 176083967 /nfs/dbraw/zinc/08/39/67/176083967.db2.gz GQPOZCQKZVCYKL-SNVBAGLBSA-N 1 0 262.275 2.255 10 0 CEAERO Nc1cnc(Nc2ccc(OCC[NH+]3CCCC3)cc2)nc1 ZINC000071261353 176096189 /nfs/dbraw/zinc/09/61/89/176096189.db2.gz TZBHVPZQZFMIQX-UHFFFAOYSA-N 1 0 299.378 2.277 10 0 CEAERO [NH3+]Cc1cc(F)ccc1CN1CCO[C@H]2CCCC[C@@H]21 ZINC000071263551 176096574 /nfs/dbraw/zinc/09/65/74/176096574.db2.gz UWOXPRCJLFVEGM-HOTGVXAUSA-N 1 0 278.371 2.428 10 0 CEAERO CC[N@@H+](Cc1ccc(F)cc1C(N)=S)C[C@@H]1CCCO1 ZINC000071265951 176099511 /nfs/dbraw/zinc/09/95/11/176099511.db2.gz OGYCGZXPPLSJRX-ZDUSSCGKSA-N 1 0 296.411 2.461 10 0 CEAERO CN(Cc1ccc(F)cc1C(N)=[NH2+])CC(F)(F)F ZINC000071267723 176101207 /nfs/dbraw/zinc/10/12/07/176101207.db2.gz KGQVFUYZPRETRI-UHFFFAOYSA-N 1 0 263.238 2.104 10 0 CEAERO CN(Cc1ccc(F)cc1C(N)=[NH2+])C[C@@H]1CCCCO1 ZINC000071267795 176101292 /nfs/dbraw/zinc/10/12/92/176101292.db2.gz FAVKRMCIGCTVRB-ZDUSSCGKSA-N 1 0 279.359 2.111 10 0 CEAERO COC[C@H](O)C[NH2+]C1c2ccccc2Oc2ccccc21 ZINC000071268676 176102294 /nfs/dbraw/zinc/10/22/94/176102294.db2.gz BGKPSONUVKYZDP-GFCCVEGCSA-N 1 0 285.343 2.479 10 0 CEAERO C[C@H](Cc1cccs1)[NH2+]CC(=O)NC(C)(C)C ZINC000071270205 176104016 /nfs/dbraw/zinc/10/40/16/176104016.db2.gz CTMWFEXXYHMUDC-SNVBAGLBSA-N 1 0 254.399 2.183 10 0 CEAERO CC(C)C[NH2+]Cc1nnnn1[C@@H](C)Cc1cccs1 ZINC000071271974 176104677 /nfs/dbraw/zinc/10/46/77/176104677.db2.gz CUVHSZUSQSEAIH-NSHDSACASA-N 1 0 279.413 2.284 10 0 CEAERO Cn1ccnc1CNc1ccc(N)c2c[nH+]ccc12 ZINC000071275473 176106722 /nfs/dbraw/zinc/10/67/22/176106722.db2.gz XINJGDFJUVJVHP-UHFFFAOYSA-N 1 0 253.309 2.163 10 0 CEAERO COc1ccc([C@@H]2C[NH2+]C[C@@H](C3CC3)O2)cc1OC ZINC000071308852 176116004 /nfs/dbraw/zinc/11/60/04/176116004.db2.gz QAVZBLLPYGUBNF-GJZGRUSLSA-N 1 0 263.337 2.143 10 0 CEAERO c1ccc2c(c1)C[C@H](CNC1=[NH+]C[C@H](C3CC3)S1)O2 ZINC000071307909 176116137 /nfs/dbraw/zinc/11/61/37/176116137.db2.gz NEQJHVKHBUOITL-TZMCWYRMSA-N 1 0 274.389 2.461 10 0 CEAERO CCN(CC(C)(C)C(=O)Nc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000071313365 176120131 /nfs/dbraw/zinc/12/01/31/176120131.db2.gz GMOLVGYPVVLPHF-HNNXBMFYSA-N 1 0 289.423 2.335 10 0 CEAERO CCCN(Cc1cc(C(C)=O)ccc1OC)[C@@H]1CC[NH2+]C1 ZINC000071330739 176124349 /nfs/dbraw/zinc/12/43/49/176124349.db2.gz JJKXRFMOLDAVAE-MRXNPFEDSA-N 1 0 290.407 2.472 10 0 CEAERO CCCN(c1cc2ccccc2c(=O)[nH]1)[C@H]1CC[NH2+]C1 ZINC000071332738 176125941 /nfs/dbraw/zinc/12/59/41/176125941.db2.gz CCOSKJGMYIPILW-ZDUSSCGKSA-N 1 0 271.364 2.106 10 0 CEAERO CCCCOCC[NH2+]C1CN(C(=O)OC(C)(C)C)C1 ZINC000071335870 176127343 /nfs/dbraw/zinc/12/73/43/176127343.db2.gz OAARNZDRUHPMDO-UHFFFAOYSA-N 1 0 272.389 2.012 10 0 CEAERO C[C@H]1CCC[NH2+][C@@H]1CNC(=O)c1ccccc1OC(F)F ZINC000071338637 176129008 /nfs/dbraw/zinc/12/90/08/176129008.db2.gz OTSPSOGNQWNGBM-CMPLNLGQSA-N 1 0 298.333 2.406 10 0 CEAERO C[C@@H]1CCC[NH2+][C@@H]1CNC(=O)C(C)(C)c1ccccc1 ZINC000071338652 176129014 /nfs/dbraw/zinc/12/90/14/176129014.db2.gz PWWCOHSCSIKNAN-UKRRQHHQSA-N 1 0 274.408 2.469 10 0 CEAERO COc1ccc(C)cc1C(=O)NC[C@H]1[NH2+]CCC[C@@H]1C ZINC000071338810 176129038 /nfs/dbraw/zinc/12/90/38/176129038.db2.gz YNAVCIWBRKLGHD-GXTWGEPZSA-N 1 0 276.380 2.122 10 0 CEAERO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ncccc1C ZINC000071345259 176131439 /nfs/dbraw/zinc/13/14/39/176131439.db2.gz PNEJYZOGDHAFHF-GOOCMWNKSA-N 1 0 259.397 2.495 10 0 CEAERO CC[C@H]1CN(CCn2ccnc2C)C2(CCCC2)C[NH2+]1 ZINC000071345278 176131550 /nfs/dbraw/zinc/13/15/50/176131550.db2.gz LAAVMDAWXGFTQD-HNNXBMFYSA-N 1 0 276.428 2.188 10 0 CEAERO CC[C@@H]1CN(Cc2cccc(OC)n2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000071345634 176132188 /nfs/dbraw/zinc/13/21/88/176132188.db2.gz LDFJEHPAOXVWMP-RHSMWYFYSA-N 1 0 289.423 2.443 10 0 CEAERO CC(C)C[C@H]1CN(Cc2ncccn2)[C@H](C2CC2)C[NH2+]1 ZINC000071351146 176134419 /nfs/dbraw/zinc/13/44/19/176134419.db2.gz HHINGDSPEQMSKD-GJZGRUSLSA-N 1 0 274.412 2.075 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](Cc2ccccc2)CN1[C@@H]1CCOC1 ZINC000071352760 176135561 /nfs/dbraw/zinc/13/55/61/176135561.db2.gz RNYKVBPRJZUBRK-BRWVUGGUSA-N 1 0 274.408 2.070 10 0 CEAERO CC[C@H](C)[C@H]1CN(Cc2ncccn2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000071356325 176136557 /nfs/dbraw/zinc/13/65/57/176136557.db2.gz DHWYUIVLQWNMJC-YSVLISHTSA-N 1 0 288.439 2.465 10 0 CEAERO CC[C@H](C)[C@@H]1CN(CCOC)[C@H](C(C)(C)C)C[NH2+]1 ZINC000071355493 176136732 /nfs/dbraw/zinc/13/67/32/176136732.db2.gz UABYZXXKBGPRJG-IHRRRGAJSA-N 1 0 256.434 2.367 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@H]([C@@H](C)CC)CN1Cc1cnn(C)c1 ZINC000071354706 176136983 /nfs/dbraw/zinc/13/69/83/176136983.db2.gz LGZCTAJGYUPDNN-NUEKZKHPSA-N 1 0 278.444 2.409 10 0 CEAERO C[C@]1(C2CC2)C[NH2+]C2(CCCC2)CN1Cc1ncccn1 ZINC000071359183 176137214 /nfs/dbraw/zinc/13/72/14/176137214.db2.gz XPYHSLGCYZAIAH-MRXNPFEDSA-N 1 0 286.423 2.363 10 0 CEAERO CCC1(CC)CNC2(CCCC2)C[N@@H+]1CCOC ZINC000071359091 176137371 /nfs/dbraw/zinc/13/73/71/176137371.db2.gz QGGAEILWZFFEEX-UHFFFAOYSA-N 1 0 254.418 2.410 10 0 CEAERO CC[C@@H]1CNC2(CCCC2)C[N@@H+]1CCCn1ccnc1 ZINC000071358274 176138073 /nfs/dbraw/zinc/13/80/73/176138073.db2.gz AJYJQXXJUDKLDA-OAHLLOKOSA-N 1 0 276.428 2.270 10 0 CEAERO CC(C)[C@@H](CNCc1cnn2ccccc12)[NH+](C)C ZINC000071372738 176138503 /nfs/dbraw/zinc/13/85/03/176138503.db2.gz OLJBCSVXKPZIIM-OAHLLOKOSA-N 1 0 260.385 2.010 10 0 CEAERO CCn1c(C[NH3+])nnc1SCc1ccc(Cl)nc1 ZINC000071374875 176140214 /nfs/dbraw/zinc/14/02/14/176140214.db2.gz YCJVNZMMPQWNPD-UHFFFAOYSA-N 1 0 283.788 2.097 10 0 CEAERO CCC1CCC([N@H+](C)CCn2ccc(N)n2)CC1 ZINC000071378052 176142660 /nfs/dbraw/zinc/14/26/60/176142660.db2.gz BELDTWNVYIDVLR-UHFFFAOYSA-N 1 0 250.390 2.366 10 0 CEAERO CCCCN(CCO)c1nc2ccccc2cc1C(N)=[NH2+] ZINC000071390150 176148507 /nfs/dbraw/zinc/14/85/07/176148507.db2.gz BAFKJZYBZVUDLM-UHFFFAOYSA-N 1 0 286.379 2.118 10 0 CEAERO CCC(CC)N(CCO)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000071401232 176153377 /nfs/dbraw/zinc/15/33/77/176153377.db2.gz KEEDFWFFIOPXMW-MRXNPFEDSA-N 1 0 292.423 2.476 10 0 CEAERO Cc1ccc(OCC(=O)Nc2ccccc2)c(C[NH3+])c1 ZINC000071403438 176154627 /nfs/dbraw/zinc/15/46/27/176154627.db2.gz VDWSEDLVKCXQIE-UHFFFAOYSA-N 1 0 270.332 2.471 10 0 CEAERO Cc1ccc(OCC(=O)NC(C)C)c(C[NH2+]C(C)C)c1 ZINC000071406671 176156189 /nfs/dbraw/zinc/15/61/89/176156189.db2.gz LGBVXFWOAUFEIP-UHFFFAOYSA-N 1 0 278.396 2.396 10 0 CEAERO Cc1ccc(O[C@@H]2CCOC2=O)c(C[NH2+]CC(C)C)c1 ZINC000071407325 176156358 /nfs/dbraw/zinc/15/63/58/176156358.db2.gz CWLBYFWKMGPUDY-OAHLLOKOSA-N 1 0 277.364 2.435 10 0 CEAERO Cc1ccc(O[C@@H](C)C(=O)N2CCCC2)c(C[C@H](C)[NH3+])c1 ZINC000071411696 176156992 /nfs/dbraw/zinc/15/69/92/176156992.db2.gz XWNLVOQHKDXKLC-KBPBESRZSA-N 1 0 290.407 2.274 10 0 CEAERO CCCNC(=O)[C@H](C)Oc1ccc(C)cc1C[C@@H](C)[NH3+] ZINC000071411700 176157038 /nfs/dbraw/zinc/15/70/38/176157038.db2.gz POMATQPAORMAEU-OLZOCXBDSA-N 1 0 278.396 2.178 10 0 CEAERO Cc1ccc(OCC(=O)N2CCCCCC2)c(CC[NH3+])c1 ZINC000071411507 176157229 /nfs/dbraw/zinc/15/72/29/176157229.db2.gz XESFCFDHOXJWDL-UHFFFAOYSA-N 1 0 290.407 2.278 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc(C)ccc1OCCS(=O)(=O)CC ZINC000071412313 176157373 /nfs/dbraw/zinc/15/73/73/176157373.db2.gz WWTQNLRDGCFSAX-CQSZACIVSA-N 1 0 299.436 2.088 10 0 CEAERO COc1ccc(F)cc1[C@](C)(O)[C@@H]1CCC[NH2+]C1 ZINC000071574659 176201660 /nfs/dbraw/zinc/20/16/60/176201660.db2.gz DARRELMNQJDJDW-QMTHXVAHSA-N 1 0 253.317 2.041 10 0 CEAERO Brc1cccc(CC[C@H]2COCC[NH2+]2)c1 ZINC000071601292 176228393 /nfs/dbraw/zinc/22/83/93/176228393.db2.gz SIKCRMOQHUNADQ-LBPRGKRZSA-N 1 0 270.170 2.370 10 0 CEAERO COc1ccc([C@@H]2Cc3n[nH]c(C)c3[C@@H]([NH3+])C2)c(OC)c1 ZINC000072415413 176399434 /nfs/dbraw/zinc/39/94/34/176399434.db2.gz YJUYHEHVCXLPEX-GWCFXTLKSA-N 1 0 287.363 2.465 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C1CCC2(CC2)CC1 ZINC000662559569 415885721 /nfs/dbraw/zinc/88/57/21/415885721.db2.gz AWKULGOUCCJSEX-YPMHNXCESA-N 1 0 250.386 2.214 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCC(C2CCC2)CC1 ZINC000662630510 415912236 /nfs/dbraw/zinc/91/22/36/415912236.db2.gz KTIGSBRQLQUPQR-IUODEOHRSA-N 1 0 264.413 2.413 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H](OC)C1CCCCC1 ZINC000662734278 415948473 /nfs/dbraw/zinc/94/84/73/415948473.db2.gz PZIOPCFRWZIQHX-FPMFFAJLSA-N 1 0 270.417 2.071 10 0 CEAERO Cc1cc[n+](CCC(=O)Nc2cc(C)ccc2O)cc1 ZINC000075305551 176685989 /nfs/dbraw/zinc/68/59/89/176685989.db2.gz LUCNTCMQIFTNDJ-UHFFFAOYSA-O 1 0 271.340 2.325 10 0 CEAERO C[NH2+]CC(=O)N[C@@H](C)c1ccc(OC(C)(C)C)cc1 ZINC000076368869 177005975 /nfs/dbraw/zinc/00/59/75/177005975.db2.gz XFPDKLDJHSXKJM-NSHDSACASA-N 1 0 264.369 2.261 10 0 CEAERO COc1cc(C)c([C@@H](O)[C@@H](C)[NH2+]C2CC2)cc1OC ZINC000076372334 177008364 /nfs/dbraw/zinc/00/83/64/177008364.db2.gz TZOCVPKAQJTRGL-BMIGLBTASA-N 1 0 265.353 2.186 10 0 CEAERO COc1cccc(NC(=O)C[C@H](C[NH3+])C(C)C)c1 ZINC000076654683 177044361 /nfs/dbraw/zinc/04/43/61/177044361.db2.gz SUSHUUCIFCLSSW-LLVKDONJSA-N 1 0 250.342 2.255 10 0 CEAERO COc1ccccc1NC(=O)C[C@H](C[NH3+])C(C)C ZINC000076654678 177044420 /nfs/dbraw/zinc/04/44/20/177044420.db2.gz SENFOFUFFWXLPH-LLVKDONJSA-N 1 0 250.342 2.255 10 0 CEAERO CC(C)CCN(Cc1ccccc1F)C(=O)C[NH3+] ZINC000076656759 177045743 /nfs/dbraw/zinc/04/57/43/177045743.db2.gz MJJSKGZARGJXEB-UHFFFAOYSA-N 1 0 252.333 2.159 10 0 CEAERO CC(C)(C)NC(=O)[C@@H](CCC[NH3+])c1cccs1 ZINC000076658568 177047699 /nfs/dbraw/zinc/04/76/99/177047699.db2.gz WWBVPZXPKABQML-JTQLQIEISA-N 1 0 254.399 2.485 10 0 CEAERO COc1ccccc1[C@H](CC[NH3+])C(=O)NC(C)(C)C ZINC000076679941 177057849 /nfs/dbraw/zinc/05/78/49/177057849.db2.gz KDYBWTPLSOMPRY-LBPRGKRZSA-N 1 0 264.369 2.042 10 0 CEAERO COC(=O)c1ccc(Cl)c(NC(=O)C[C@H](C)C[NH3+])c1 ZINC000076772541 177087319 /nfs/dbraw/zinc/08/73/19/177087319.db2.gz LPQKYPVDYSYGSF-QMMMGPOBSA-N 1 0 284.743 2.050 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)COc1ccccc1 ZINC000077729766 177296691 /nfs/dbraw/zinc/29/66/91/177296691.db2.gz YMLBGQNTWOQWMZ-CQSZACIVSA-N 1 0 278.396 2.158 10 0 CEAERO CC(C)[C@H](NC(=O)C[N@H+](C)CC(C)(C)O)c1cccs1 ZINC000078778306 177386538 /nfs/dbraw/zinc/38/65/38/177386538.db2.gz BXSSBUVVQURKLR-AWEZNQCLSA-N 1 0 298.452 2.264 10 0 CEAERO C[NH+](C)[C@@H]1CCN(Cc2ccc(N)c(Cl)c2)C1 ZINC000078898760 177403935 /nfs/dbraw/zinc/40/39/35/177403935.db2.gz FGGDDJQNDAIGAA-LLVKDONJSA-N 1 0 253.777 2.058 10 0 CEAERO CC[C@H](CC[NH3+])CCC(=O)NCCCOCc1ccco1 ZINC000079211974 177447581 /nfs/dbraw/zinc/44/75/81/177447581.db2.gz MYXOXSOQJUPGCF-AWEZNQCLSA-N 1 0 296.411 2.458 10 0 CEAERO CCC[C@@H](CC[NH3+])CCC(=O)N1CCC(OC)CC1 ZINC000079236222 177452718 /nfs/dbraw/zinc/45/27/18/177452718.db2.gz ICLWJXZNVGMUIW-CYBMUJFWSA-N 1 0 270.417 2.169 10 0 CEAERO CCC[C@H](CC[NH3+])CCC(=O)NCc1ccccn1 ZINC000079235368 177453065 /nfs/dbraw/zinc/45/30/65/177453065.db2.gz MEHVYHOPYUTREV-ZDUSSCGKSA-N 1 0 263.385 2.243 10 0 CEAERO CCC[C@H](CC[NH3+])CCC(=O)NCC[C@H]1CCCO1 ZINC000079239092 177453554 /nfs/dbraw/zinc/45/35/54/177453554.db2.gz UBNCPRAADWZBJS-UONOGXRCSA-N 1 0 270.417 2.217 10 0 CEAERO Cc1n[nH]c(C)c1NC(=O)CC[C@H](CC[NH3+])C(C)C ZINC000079255239 177459329 /nfs/dbraw/zinc/45/93/29/177459329.db2.gz XIBNWSNAISALGF-GFCCVEGCSA-N 1 0 266.389 2.366 10 0 CEAERO CCC(CC)N(CCO)C(=O)CC[C@H](CC[NH3+])C(C)C ZINC000079278178 177461952 /nfs/dbraw/zinc/46/19/52/177461952.db2.gz QTYUUJLDHIYZRQ-CQSZACIVSA-N 1 0 286.460 2.397 10 0 CEAERO CC(C)(C)[C@@H](CC[NH3+])CCC(=O)O[C@@H]1CCOC1 ZINC000079287278 177464060 /nfs/dbraw/zinc/46/40/60/177464060.db2.gz KXFSWPUGJMXJJQ-VXGBXAGGSA-N 1 0 257.374 2.110 10 0 CEAERO Cc1nn(C)c(Sc2ncccc2Cl)c1C[NH3+] ZINC000079445601 177491387 /nfs/dbraw/zinc/49/13/87/177491387.db2.gz USPLEHMQMAFUJT-UHFFFAOYSA-N 1 0 268.773 2.387 10 0 CEAERO COC(=O)c1c(C)c(C)sc1NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000079519983 177514562 /nfs/dbraw/zinc/51/45/62/177514562.db2.gz AHUBWTJTERREGF-AWEZNQCLSA-N 1 0 296.392 2.232 10 0 CEAERO COc1ccccc1[C@H](C)NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+] ZINC000079532849 177516648 /nfs/dbraw/zinc/51/66/48/177516648.db2.gz GMEZLYIHXICQKF-GNNBREFNSA-N 1 0 288.391 2.246 10 0 CEAERO C[C@@H]1CN(C(=O)c2c(Cl)cccc2Cl)C[C@H]1[NH3+] ZINC000235346459 296908414 /nfs/dbraw/zinc/90/84/14/296908414.db2.gz RASCLEYQUOHYIT-GMSGAONNSA-N 1 0 273.163 2.413 10 0 CEAERO C[N@H+](CCc1ccccn1)[C@H]1CC(C)(C)CC[C@@H]1O ZINC000079658033 177531933 /nfs/dbraw/zinc/53/19/33/177531933.db2.gz MFBXQGHYMGRYDP-GJZGRUSLSA-N 1 0 262.397 2.496 10 0 CEAERO CC1(C)CCC(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])CC1 ZINC000079677983 177536716 /nfs/dbraw/zinc/53/67/16/177536716.db2.gz MCCVBFNUTMKBFA-XWUBHJNHSA-N 1 0 264.413 2.445 10 0 CEAERO CCCN(CC(N)=[NH2+])C(=O)Nc1ccc(F)cc1 ZINC000079779034 177557024 /nfs/dbraw/zinc/55/70/24/177557024.db2.gz VJJHQNOXLSMZTA-UHFFFAOYSA-N 1 0 252.293 2.006 10 0 CEAERO NC(=[NH2+])c1ccc(CNC(=O)NC2CCCCC2)c(F)c1 ZINC000079779112 177557034 /nfs/dbraw/zinc/55/70/34/177557034.db2.gz NDMORFYVXHFAFB-UHFFFAOYSA-N 1 0 292.358 2.242 10 0 CEAERO CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CNc2ccccc2C1 ZINC000079893869 177577022 /nfs/dbraw/zinc/57/70/22/177577022.db2.gz DSQANWQLIBWLAK-ZFWWWQNUSA-N 1 0 289.423 2.117 10 0 CEAERO O[C@@H](C[NH2+]C1CCSCC1)c1ccc(F)c(F)c1 ZINC000079916405 177580387 /nfs/dbraw/zinc/58/03/87/177580387.db2.gz GERJAAVFYLRRCR-ZDUSSCGKSA-N 1 0 273.348 2.483 10 0 CEAERO Cc1c(Cl)cnn1CCOc1ccc(C(N)=[NH2+])cc1 ZINC000080011922 177595248 /nfs/dbraw/zinc/59/52/48/177595248.db2.gz GCMXUUQSLFSNJF-UHFFFAOYSA-N 1 0 278.743 2.208 10 0 CEAERO CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1[NH2+]CCCS(C)(=O)=O ZINC000080142307 177614161 /nfs/dbraw/zinc/61/41/61/177614161.db2.gz PRRJASRFWLXJEZ-BZPMIXESSA-N 1 0 273.442 2.226 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cc(C(C)(C)C)[nH]n1 ZINC000135894695 419440051 /nfs/dbraw/zinc/44/00/51/419440051.db2.gz LDJGFJGPOPGCBW-GZMMTYOYSA-N 1 0 252.362 2.019 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000136365555 419442939 /nfs/dbraw/zinc/44/29/39/419442939.db2.gz YCRBMYAYKYYQMH-VHSXEESVSA-N 1 0 266.307 2.161 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000136365617 419444592 /nfs/dbraw/zinc/44/45/92/419444592.db2.gz YCRBMYAYKYYQMH-NXEZZACHSA-N 1 0 266.307 2.161 10 0 CEAERO COc1ccc([C@@H](C)NC(=O)C[C@@H]([NH3+])C(C)C)cc1F ZINC000136350705 419444636 /nfs/dbraw/zinc/44/46/36/419444636.db2.gz AUGZAGUMVDGTRS-ZWNOBZJWSA-N 1 0 282.359 2.385 10 0 CEAERO COCCOCc1cccc(NC(=O)C[C@@H]([NH3+])C(C)C)c1 ZINC000136367277 419445420 /nfs/dbraw/zinc/44/54/20/419445420.db2.gz JWTYIMRHPXHYKN-OAHLLOKOSA-N 1 0 294.395 2.162 10 0 CEAERO COc1cc(C)ccc1NC(=O)C[C@@H]([NH3+])C(C)C ZINC000136371360 419446815 /nfs/dbraw/zinc/44/68/15/419446815.db2.gz PGXQHDOVMFTMAT-LLVKDONJSA-N 1 0 250.342 2.316 10 0 CEAERO COc1ccc([C@H](C)NC(=O)C[C@@H]([NH3+])C(C)C)cc1OC ZINC000136422216 419447337 /nfs/dbraw/zinc/44/73/37/419447337.db2.gz AGJJNPYLUWMMQG-WCQYABFASA-N 1 0 294.395 2.254 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1cc(F)c(F)cc1F ZINC000136453640 419447598 /nfs/dbraw/zinc/44/75/98/419447598.db2.gz YWWQETURXHOPNI-JTQLQIEISA-N 1 0 260.259 2.416 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)N(Cc1ccccn1)C(C)C ZINC000136397417 419448572 /nfs/dbraw/zinc/44/85/72/419448572.db2.gz AWRBZHXCAXSCAQ-CQSZACIVSA-N 1 0 263.385 2.192 10 0 CEAERO COCc1nc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H]2C)cs1 ZINC000666429315 419663160 /nfs/dbraw/zinc/66/31/60/419663160.db2.gz PKVCKTHNPNILBB-MXWKQRLJSA-N 1 0 270.398 2.193 10 0 CEAERO CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)c1cccs1 ZINC000393023736 270341123 /nfs/dbraw/zinc/34/11/23/270341123.db2.gz SSDKVVQEMQEWAW-OUAUKWLOSA-N 1 0 252.383 2.456 10 0 CEAERO CCO[C@H]1C[C@H]([NH2+]C2CC(C)C2)C12CCOCC2 ZINC000186416260 270250092 /nfs/dbraw/zinc/25/00/92/270250092.db2.gz CAAFCQDUPODPFT-HOAMVYINSA-N 1 0 253.386 2.349 10 0 CEAERO Cc1ccc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)cn1 ZINC000029954528 270223903 /nfs/dbraw/zinc/22/39/03/270223903.db2.gz WRMVSBPFIIDEHW-MRXNPFEDSA-N 1 0 283.375 2.423 10 0 CEAERO CCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000035018762 270224945 /nfs/dbraw/zinc/22/49/45/270224945.db2.gz HVLUWUKJBFDBBJ-VXGBXAGGSA-N 1 0 292.379 2.023 10 0 CEAERO C[C@H](C1CC1)[N@H+](C[C@H]1CCCO1)C[C@@H]1CCCO1 ZINC000192939529 270282028 /nfs/dbraw/zinc/28/20/28/270282028.db2.gz MLVGVTSJSAVVOM-YUELXQCFSA-N 1 0 253.386 2.445 10 0 CEAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC000392918685 270341259 /nfs/dbraw/zinc/34/12/59/270341259.db2.gz HOCAXXXBDXMTLI-YPMHNXCESA-N 1 0 252.402 2.460 10 0 CEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000392859795 270341430 /nfs/dbraw/zinc/34/14/30/270341430.db2.gz IRGWEUBQJMLIIB-XHDPSFHLSA-N 1 0 258.365 2.321 10 0 CEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000392906072 270341698 /nfs/dbraw/zinc/34/16/98/270341698.db2.gz RNJPJHHULWDXAS-JOYOIKCWSA-N 1 0 286.297 2.462 10 0 CEAERO CC(C)CO[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C)C1(C)C ZINC000392932021 270341898 /nfs/dbraw/zinc/34/18/98/270341898.db2.gz KTZKLNSBZFKRPA-RFQIPJPRSA-N 1 0 282.428 2.083 10 0 CEAERO CC(C)c1nc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)cs1 ZINC000440952161 271787240 /nfs/dbraw/zinc/78/72/40/271787240.db2.gz JLDGHQUPUMWKIU-KOLCDFICSA-N 1 0 267.398 2.023 10 0 CEAERO C[NH2+]C[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000071148472 273965551 /nfs/dbraw/zinc/96/55/51/273965551.db2.gz RBDZDULHIOMJTD-VIFPVBQESA-N 1 0 259.275 2.146 10 0 CEAERO Brc1ccc(-c2cc3n(n2)CC[NH2+]C3)cc1 ZINC000096028957 275368626 /nfs/dbraw/zinc/36/86/26/275368626.db2.gz LINBRPBUJNHGRA-UHFFFAOYSA-N 1 0 278.153 2.416 10 0 CEAERO Brc1ccc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)nc1 ZINC000261593368 275369876 /nfs/dbraw/zinc/36/98/76/275369876.db2.gz WSGKUICVJRINNV-ONGXEEELSA-N 1 0 282.185 2.032 10 0 CEAERO CC(C)(C)OC(=O)N1Cc2ccsc2[C@@H]([NH3+])C1 ZINC000091304173 275521724 /nfs/dbraw/zinc/52/17/24/275521724.db2.gz HLTCGNDQAOQRRR-VIFPVBQESA-N 1 0 254.355 2.499 10 0 CEAERO CC1(C)CN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC[C@H]1[NH3+] ZINC000261590082 275841045 /nfs/dbraw/zinc/84/10/45/275841045.db2.gz WSNPZUQCXXELGQ-XQHKEYJVSA-N 1 0 250.386 2.008 10 0 CEAERO CC1(C)[C@H]([NH2+][C@@H]2CCCC[C@@H]2O)[C@H]2CCCO[C@H]21 ZINC000251152856 275890525 /nfs/dbraw/zinc/89/05/25/275890525.db2.gz LQMXSGAZXKWTAJ-RKQHYHRCSA-N 1 0 253.386 2.083 10 0 CEAERO CC(C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000161960107 275917257 /nfs/dbraw/zinc/91/72/57/275917257.db2.gz JFTKNPIGWVCGGS-UONOGXRCSA-N 1 0 252.402 2.413 10 0 CEAERO CC[N@H+](C)[C@@H]1CCN(c2cnc3cc(F)c(F)cc3n2)C1 ZINC000302783019 276077390 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ZINC000053664146 277265396 /nfs/dbraw/zinc/26/53/96/277265396.db2.gz CCEVWDBRFGOGNG-UHFFFAOYSA-N 1 0 270.380 2.374 10 0 CEAERO C[C@@H]1CN(c2cncc(Br)c2)[C@@H](C)C[NH2+]1 ZINC000261532783 277919756 /nfs/dbraw/zinc/91/97/56/277919756.db2.gz KEEAZTOLTFEYOL-BDAKNGLRSA-N 1 0 270.174 2.031 10 0 CEAERO CC(C)c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC(N)=O)cc1 ZINC000048433734 278049091 /nfs/dbraw/zinc/04/90/91/278049091.db2.gz RIRRMEOGOBWDHW-QWRGUYRKSA-N 1 0 277.368 2.044 10 0 CEAERO C[C@H](C[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1)C(F)(F)F ZINC000334568609 278195229 /nfs/dbraw/zinc/19/52/29/278195229.db2.gz CQRGGNQBEASRDT-GHMZBOCLSA-N 1 0 281.318 2.455 10 0 CEAERO C[C@H](OC1CCCCCC1)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000248827464 278301288 /nfs/dbraw/zinc/30/12/88/278301288.db2.gz AAZCLNFRFKRKPU-YDHLFZDLSA-N 1 0 282.428 2.371 10 0 CEAERO Cc1cc(Cl)ccc1C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000235346513 278693252 /nfs/dbraw/zinc/69/32/52/278693252.db2.gz AUBCGIZIMYMXAW-BXKDBHETSA-N 1 0 252.745 2.068 10 0 CEAERO CCC[NH2+]CCNC(=O)[C@H]1C[C@H]1c1ccccc1C ZINC000154498717 278841358 /nfs/dbraw/zinc/84/13/58/278841358.db2.gz OYYCLBAUJVQPTI-GJZGRUSLSA-N 1 0 260.381 2.214 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@H](C)c2ccccc21 ZINC000261791569 278842114 /nfs/dbraw/zinc/84/21/14/278842114.db2.gz UYMLOVIJCUMDSV-YRGRVCCFSA-N 1 0 258.365 2.382 10 0 CEAERO CCC[C@](C)([NH3+])C(=O)N[C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000262592807 278966407 /nfs/dbraw/zinc/96/64/07/278966407.db2.gz VIDDWDBGAXYQDW-ZOWXZIJZSA-N 1 0 270.417 2.214 10 0 CEAERO Cc1ccsc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000261896792 278995964 /nfs/dbraw/zinc/99/59/64/278995964.db2.gz HGAGNEGVCWHQGN-MCIONIFRSA-N 1 0 280.437 2.303 10 0 CEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@H]1CCc2c1cccc2F ZINC000282048626 279027306 /nfs/dbraw/zinc/02/73/06/279027306.db2.gz AYCGAHJMUKLUJR-HERUPUMHSA-N 1 0 262.328 2.070 10 0 CEAERO CC(C)C[C@H](C)NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000133665767 279106228 /nfs/dbraw/zinc/10/62/28/279106228.db2.gz 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ZINC000153848191 289125053 /nfs/dbraw/zinc/12/50/53/289125053.db2.gz MQTOCHISEGOLLR-GFCCVEGCSA-N 1 0 252.383 2.157 10 0 CEAERO CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)c(C)c2)C1 ZINC000153867391 289125813 /nfs/dbraw/zinc/12/58/13/289125813.db2.gz RYFPMHPARBOIGA-CQSZACIVSA-N 1 0 264.344 2.235 10 0 CEAERO CC(=O)N[C@H]1CCCN(Cc2cnc(CC(C)C)s2)C1 ZINC000153949047 289128628 /nfs/dbraw/zinc/12/86/28/289128628.db2.gz VGRCFMZAPIZLEE-ZDUSSCGKSA-N 1 0 295.452 2.442 10 0 CEAERO CCCC(=O)N[C@H]1CCCN([C@@H](C)C(=O)OC(C)(C)C)C1 ZINC000154575072 289149762 /nfs/dbraw/zinc/14/97/62/289149762.db2.gz ONPMYYYLSZRATH-STQMWFEESA-N 1 0 298.427 2.097 10 0 CEAERO COc1cccc(OCCN2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000157556581 289216756 /nfs/dbraw/zinc/21/67/56/289216756.db2.gz MGSMLAFSMRXJGH-OAHLLOKOSA-N 1 0 290.407 2.244 10 0 CEAERO Cc1nc2cc(NC(=O)N3CC[C@H]([NH+](C)C)C3)ccc2o1 ZINC000159196257 289248415 /nfs/dbraw/zinc/24/84/15/289248415.db2.gz IJKBGKWFJUGDDP-LBPRGKRZSA-N 1 0 288.351 2.304 10 0 CEAERO C[C@H](C(=O)NC[C@H]1CCCC[C@H]1C(F)(F)F)C1C[NH2+]C1 ZINC000262484183 289357216 /nfs/dbraw/zinc/35/72/16/289357216.db2.gz ZYJZJNDAHHTBPM-HOSYDEDBSA-N 1 0 292.345 2.327 10 0 CEAERO C[C@H]1CC(C(=O)N2CC[C@@H]([NH+](C)C)C2)C[C@H](C)C1 ZINC000248528343 290329659 /nfs/dbraw/zinc/32/96/59/290329659.db2.gz DJMIRZIMQFSBAV-YRGRVCCFSA-N 1 0 252.402 2.221 10 0 CEAERO CO[C@H](C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400764645 294280063 /nfs/dbraw/zinc/28/00/63/294280063.db2.gz ZCJGKDZOQANDKY-UPJWGTAASA-N 1 0 286.416 2.256 10 0 CEAERO [NH3+]C1(C(=O)NCC23CC4CC(CC(C4)C2)C3)CCC1 ZINC000148124471 295202921 /nfs/dbraw/zinc/20/29/21/295202921.db2.gz GFEQLSTZIDDIIO-UHFFFAOYSA-N 1 0 262.397 2.200 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C1(c2ccc(F)cc2)CC1 ZINC000237984270 295253764 /nfs/dbraw/zinc/25/37/64/295253764.db2.gz MEBGDWZWHOZHMY-FZMZJTMJSA-N 1 0 276.355 2.101 10 0 CEAERO CCc1nc(CN(C)C(=O)C[C@H]2CCC[NH2+]C2)cs1 ZINC000328125380 297498573 /nfs/dbraw/zinc/49/85/73/297498573.db2.gz MICZBSNNBGVFQS-LLVKDONJSA-N 1 0 281.425 2.054 10 0 CEAERO C[C@@]1(C(=O)NC2CCC(C(F)(F)F)CC2)CC[NH2+]C1 ZINC000062893546 297867117 /nfs/dbraw/zinc/86/71/17/297867117.db2.gz CSKNKGJQKARSEL-RTYFJBAXSA-N 1 0 278.318 2.223 10 0 CEAERO CN(Cc1ncccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000530216743 298053297 /nfs/dbraw/zinc/05/32/97/298053297.db2.gz DJPUBDODRPAVHV-LLVKDONJSA-N 1 0 253.777 2.309 10 0 CEAERO [NH3+]CCc1ccccc1OCCOCC(F)(F)F ZINC000049311777 527197307 /nfs/dbraw/zinc/19/73/07/527197307.db2.gz ZIAQXMRAXKDSTQ-UHFFFAOYSA-N 1 0 263.259 2.146 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](C(=O)NC2C3CC4CC(C3)CC2C4)C1 ZINC000091539207 303470847 /nfs/dbraw/zinc/47/08/47/303470847.db2.gz LCSWJJAZJAWCLY-WVJZFOLJSA-N 1 0 262.397 2.055 10 0 CEAERO Cc1cc(C)cc(OCC(=O)N2CCCC[C@H]2C[NH3+])c1 ZINC000571909145 314110667 /nfs/dbraw/zinc/11/06/67/314110667.db2.gz ATBFQZWUXKVUNS-AWEZNQCLSA-N 1 0 276.380 2.022 10 0 CEAERO CCN(CCc1ccccc1)C(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000384254020 321851258 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c1cncc(C[N@@H+]2CC[C@@H]3C[C@H](c4ccncn4)O[C@H]3C2)c1 ZINC000253601926 333186061 /nfs/dbraw/zinc/18/60/61/333186061.db2.gz GNMKHTUKZWUTOC-OIISXLGYSA-N 1 0 296.374 2.224 10 0 CEAERO CC(C)(C)[NH2+]C[C@H]1CC[C@@H](COC[C@@H]2CCCO2)O1 ZINC000052626387 518763024 /nfs/dbraw/zinc/76/30/24/518763024.db2.gz UQVUNERUFNMAPM-RDBSUJKOSA-N 1 0 271.401 2.118 10 0 CEAERO CC(C)[N@H+](C)CCNC(=O)Nc1ccc([C@H](C)O)cc1 ZINC000054129272 519622402 /nfs/dbraw/zinc/62/24/02/519622402.db2.gz YQWAXCCSZUVKOI-LBPRGKRZSA-N 1 0 279.384 2.202 10 0 CEAERO CC(C)CC[C@H](C[NH2+]C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000052951184 519691795 /nfs/dbraw/zinc/69/17/95/519691795.db2.gz RGJXCGNONLMEOJ-ZIAGYGMSSA-N 1 0 275.458 2.472 10 0 CEAERO CC(C)[NH2+]C[C@@H]1CC[C@H](Cn2ccc(C(F)(F)F)n2)O1 ZINC000052592658 519724011 /nfs/dbraw/zinc/72/40/11/519724011.db2.gz NRROJBSYDOQPPX-WDEREUQCSA-N 1 0 291.317 2.448 10 0 CEAERO CC(C)[NH2+]Cc1cc(F)c(-n2cncn2)c(F)c1 ZINC000062719503 519726168 /nfs/dbraw/zinc/72/61/68/519726168.db2.gz DTBDOSSWNQLIBT-UHFFFAOYSA-N 1 0 252.268 2.044 10 0 CEAERO CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2c1cnn(CC)c1 ZINC000054628175 519908958 /nfs/dbraw/zinc/90/89/58/519908958.db2.gz BPLZTLQORYTPBC-AGUYFDCRSA-N 1 0 262.401 2.402 10 0 CEAERO CCC[NH2+]C[C@@H](O)CSc1nc2cc(C)ccc2[nH]1 ZINC000061440391 519921772 /nfs/dbraw/zinc/92/17/72/519921772.db2.gz ODTCMXYGNGOBKS-LLVKDONJSA-N 1 0 279.409 2.324 10 0 CEAERO CCC[NH2+]C[C@@H]1CC[C@H](Cn2cnc(C)c2C)O1 ZINC000052593700 519927802 /nfs/dbraw/zinc/92/78/02/519927802.db2.gz GLQBWLQZJNPZBS-UONOGXRCSA-N 1 0 251.374 2.047 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)NCc1cccc(Cl)c1 ZINC000061229451 519935724 /nfs/dbraw/zinc/93/57/24/519935724.db2.gz JANOHPQHSGXZDN-SNVBAGLBSA-N 1 0 254.761 2.202 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1cc(Cl)ccc1C(=O)OC ZINC000061231120 519939451 /nfs/dbraw/zinc/93/94/51/519939451.db2.gz RAHIGCFHPLDEEJ-SECBINFHSA-N 1 0 298.770 2.311 10 0 CEAERO CCCN[C@@H](CC[N@H+](C)[C@@H](C)C1CC1)C(=O)OCC ZINC000062449433 519995792 /nfs/dbraw/zinc/99/57/92/519995792.db2.gz HFOHAQOZOOZVAW-JSGCOSHPSA-N 1 0 270.417 2.038 10 0 CEAERO CCCN[C@@H](CC[N@H+](CC(C)C)C1CC1)C(=O)OC ZINC000062461277 519996986 /nfs/dbraw/zinc/99/69/86/519996986.db2.gz UGZFXRWNAWPTAY-AWEZNQCLSA-N 1 0 270.417 2.038 10 0 CEAERO CC[NH2+]Cc1cccc(CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000052380247 520003387 /nfs/dbraw/zinc/00/33/87/520003387.db2.gz LSGXTKAMCNKZDO-OKILXGFUSA-N 1 0 262.397 2.405 10 0 CEAERO CCC[NH2+][C@@](C)(C[C@H](C)[N@H+](CC1CC1)C1CC1)C(=O)[O-] ZINC000068648336 520045815 /nfs/dbraw/zinc/04/58/15/520045815.db2.gz ZXEIXMHJUOVVOB-LRDDRELGSA-N 1 0 282.428 2.482 10 0 CEAERO CCC[NH2+][C@H](CC[N@@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000062460996 520075089 /nfs/dbraw/zinc/07/50/89/520075089.db2.gz CTLAMELLDMYVPN-HUUCEWRRSA-N 1 0 282.428 2.484 10 0 CEAERO CCCN[C@H](CC[N@H+](CCC)CC1CC1)C(=O)OCC ZINC000062459985 520075434 /nfs/dbraw/zinc/07/54/34/520075434.db2.gz IISACGNGCDXHDD-OAHLLOKOSA-N 1 0 284.444 2.430 10 0 CEAERO CCOC[C@@H](O)COc1ccc(Cl)cc1[C@@H](C)[NH2+]C ZINC000069275804 520106312 /nfs/dbraw/zinc/10/63/12/520106312.db2.gz RVRKBAYDCGAVHU-ZYHUDNBSSA-N 1 0 287.787 2.397 10 0 CEAERO CCCN[C@](C)(C[C@H](C)[N@@H+]1CCCC[C@@H]1CC)C(N)=O ZINC000068623389 520115444 /nfs/dbraw/zinc/11/54/44/520115444.db2.gz RTEXMTWGPGLDNS-OFQRWUPVSA-N 1 0 283.460 2.273 10 0 CEAERO CCC[NH2+][C@](C)(C[C@H](C)n1ccnc1CCC)C(N)=O ZINC000068650283 520116727 /nfs/dbraw/zinc/11/67/27/520116727.db2.gz IMGZJMFRWRSWGI-SWLSCSKDSA-N 1 0 280.416 2.030 10 0 CEAERO CC[NH2+][C@@](C)(C[C@H](C)Oc1cc(C)ccc1C)C(N)=O ZINC000068655938 520147473 /nfs/dbraw/zinc/14/74/73/520147473.db2.gz HAAGUDBMKAIQSA-BBRMVZONSA-N 1 0 278.396 2.314 10 0 CEAERO CCCCC[N@H+](C)CC[C@H](NCCC)C(=O)OCC ZINC000062447445 520148333 /nfs/dbraw/zinc/14/83/33/520148333.db2.gz VUJSPDWLICWCAX-AWEZNQCLSA-N 1 0 272.433 2.430 10 0 CEAERO CCCCCN(CCCCC)C(=O)CN1CCC[NH2+]CC1 ZINC000061272351 520163646 /nfs/dbraw/zinc/16/36/46/520163646.db2.gz QBKPSQORQPTOIM-UHFFFAOYSA-N 1 0 297.487 2.491 10 0 CEAERO CC[NH2+][C@H](c1ccc(F)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000050544506 520207439 /nfs/dbraw/zinc/20/74/39/520207439.db2.gz TUNCEZTUBUHFJC-GXTWGEPZSA-N 1 0 285.384 2.219 10 0 CEAERO CCNc1cc(C[N@H+](CC)[C@@H](C)COC)ccn1 ZINC000052724127 520271498 /nfs/dbraw/zinc/27/14/98/520271498.db2.gz QHFLQBDDXVDCTJ-LBPRGKRZSA-N 1 0 251.374 2.370 10 0 CEAERO CCNc1ncccc1C[N@H+](C)[C@H]1CCSC1 ZINC000052719960 520376604 /nfs/dbraw/zinc/37/66/04/520376604.db2.gz CSOHJMIHABNQFT-LBPRGKRZSA-N 1 0 251.399 2.451 10 0 CEAERO CCCC[N@H+](C)C[C@@](NCCC)(C(=O)OC)C1CC1 ZINC000069088812 520414358 /nfs/dbraw/zinc/41/43/58/520414358.db2.gz MYELXNBVUUUBAF-HNNXBMFYSA-N 1 0 270.417 2.040 10 0 CEAERO CCN(CC1CC1)[C@H](C[NH3+])c1cc(OC)cc(OC)c1 ZINC000069237356 520967135 /nfs/dbraw/zinc/96/71/35/520967135.db2.gz OPODDBOWRSUTAK-MRXNPFEDSA-N 1 0 278.396 2.436 10 0 CEAERO CCOC(=O)[C@H](CC[N@H+](CC)[C@H](C)CC)NC(C)C ZINC000062446455 521242731 /nfs/dbraw/zinc/24/27/31/521242731.db2.gz NZMHBXJREUEPAR-KGLIPLIRSA-N 1 0 272.433 2.427 10 0 CEAERO CCOC(=O)[C@H](CC[NH+]1CCCCCCC1)NC1CC1 ZINC000062438748 521246102 /nfs/dbraw/zinc/24/61/02/521246102.db2.gz VBTSPQXVNSSKKZ-HNNXBMFYSA-N 1 0 282.428 2.326 10 0 CEAERO CCC(C)(C)[N@H+](C)CCCC[C@](C)([NH3+])C(=O)OC ZINC000069443454 521302275 /nfs/dbraw/zinc/30/22/75/521302275.db2.gz AZQZAYSASUHDCI-AWEZNQCLSA-N 1 0 258.406 2.168 10 0 CEAERO CCOC(=O)[C@](C[NH+]1[C@@H](C)CCC[C@@H]1C)(NC)C1CC1 ZINC000069096136 521338747 /nfs/dbraw/zinc/33/87/47/521338747.db2.gz PXRBAFLYZROTOH-HEHGZKQESA-N 1 0 282.428 2.181 10 0 CEAERO CCOc1cccc(C[NH2+]C)c1OC[C@H](O)C(F)(F)F ZINC000068876303 521358933 /nfs/dbraw/zinc/35/89/33/521358933.db2.gz MUWWHMCIFKPWAN-NSHDSACASA-N 1 0 293.285 2.107 10 0 CEAERO CCCc1nc(N2CCOC[C@H]2CC)sc1C[NH2+]C ZINC000054997941 521533653 /nfs/dbraw/zinc/53/36/53/521533653.db2.gz YUYPZHCKIBAFBE-LLVKDONJSA-N 1 0 283.441 2.430 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1c1c(F)cc(N)cc1F ZINC000061642763 521874101 /nfs/dbraw/zinc/87/41/01/521874101.db2.gz WQESXLKOTZXYJI-SNVBAGLBSA-N 1 0 255.312 2.077 10 0 CEAERO C[NH2+]CC[C@@H](C)N1CCN(c2cccc(C)c2)CC1 ZINC000052418935 522015871 /nfs/dbraw/zinc/01/58/71/522015871.db2.gz OCHODRSTKQOICU-OAHLLOKOSA-N 1 0 261.413 2.115 10 0 CEAERO C[NH2+]C[C@H](OC1CCOCC1)c1ccc(OC)cc1 ZINC000050485647 522075951 /nfs/dbraw/zinc/07/59/51/522075951.db2.gz VYYNYFKSWYEDPB-HNNXBMFYSA-N 1 0 265.353 2.151 10 0 CEAERO C[NH2+]Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC000054744901 522157415 /nfs/dbraw/zinc/15/74/15/522157415.db2.gz ZAMYFMBGQBZIFO-UHFFFAOYSA-N 1 0 291.664 2.054 10 0 CEAERO CC[C@H]([NH3+])Cc1nccn1Cc1cc(F)ccc1F ZINC000062803189 522337229 /nfs/dbraw/zinc/33/72/29/522337229.db2.gz VHELKVHAHRJOHH-LBPRGKRZSA-N 1 0 265.307 2.489 10 0 CEAERO C[NH2+][C@H](Cc1cnn(C)c1)c1ccc(F)c(F)c1 ZINC000050542654 522475097 /nfs/dbraw/zinc/47/50/97/522475097.db2.gz NASSRVZKICTLKT-CYBMUJFWSA-N 1 0 251.280 2.202 10 0 CEAERO C[C@H](Nc1ccc(N2CCCC2=O)cc1)[C@@H]1CC[NH2+]C1 ZINC000400469305 534024400 /nfs/dbraw/zinc/02/44/00/534024400.db2.gz XENLSBUWAGJLII-QWHCGFSZSA-N 1 0 273.380 2.223 10 0 CEAERO C[C@H](Nc1ccc(N2CCCCC2)nc1)[C@@H]1CC[NH2+]C1 ZINC000400359869 534025454 /nfs/dbraw/zinc/02/54/54/534025454.db2.gz CRHPZHKVFDCHFK-UONOGXRCSA-N 1 0 274.412 2.482 10 0 CEAERO CCC(CC)([C@H](NN)c1cc(OC)ccc1OC)[NH+](C)C ZINC000097586574 517535031 /nfs/dbraw/zinc/53/50/31/517535031.db2.gz AHJQDPIFTUGUMM-OAHLLOKOSA-N 1 0 295.427 2.329 10 0 CEAERO C(CN1CCC[C@H]2CCCC[C@@H]21)[NH2+]C1CCOCC1 ZINC000062767720 518388038 /nfs/dbraw/zinc/38/80/38/518388038.db2.gz LZMPPGQORBDFNA-ZBFHGGJFSA-N 1 0 266.429 2.410 10 0 CEAERO CC(C)(C)[NH2+]CCOCc1ccc2c(c1)OCO2 ZINC000052625002 518758968 /nfs/dbraw/zinc/75/89/68/518758968.db2.gz FEHHEICISAWAFO-UHFFFAOYSA-N 1 0 251.326 2.320 10 0 CEAERO CC(C)(C)[NH2+]Cc1c(-n2ccnc2)nc2sccn12 ZINC000062738557 518762690 /nfs/dbraw/zinc/76/26/90/518762690.db2.gz XNMJRSSSNRCSMD-UHFFFAOYSA-N 1 0 275.381 2.470 10 0 CEAERO CC(C)(C)[NH2+]Cc1cccc(O[C@@H]2CCS(=O)(=O)C2)c1 ZINC000062731385 518766132 /nfs/dbraw/zinc/76/61/32/518766132.db2.gz GBTGOQBWFVSGSP-CQSZACIVSA-N 1 0 297.420 2.141 10 0 CEAERO CC(C)(C)[NH2+]Cc1nnnn1-c1ccccc1Cl ZINC000054744449 518769958 /nfs/dbraw/zinc/76/99/58/518769958.db2.gz KQJOEHQZKKEXFT-UHFFFAOYSA-N 1 0 265.748 2.204 10 0 CEAERO CC(C)(C)[NH2+]Cc1nnnn1[C@H]1C[C@@H]1c1ccccc1 ZINC000054747528 518770950 /nfs/dbraw/zinc/77/09/50/518770950.db2.gz RRFRRXBJTYMINC-OLZOCXBDSA-N 1 0 271.368 2.290 10 0 CEAERO CC(C)(C)OC[C@H](O)C[NH2+]CCc1ccsc1 ZINC000049181144 518881463 /nfs/dbraw/zinc/88/14/63/518881463.db2.gz ZZNZNCMPKWMCKY-GFCCVEGCSA-N 1 0 257.399 2.056 10 0 CEAERO CC(C)(C)Oc1nc(N2CC[NH+](C3CC3)CC2)ccc1N ZINC000048990750 518898835 /nfs/dbraw/zinc/89/88/35/518898835.db2.gz OTHVDVCDUVNDAF-UHFFFAOYSA-N 1 0 290.411 2.126 10 0 CEAERO CC(C)C[C@H](CN(C)C)[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000049555626 519340527 /nfs/dbraw/zinc/34/05/27/519340527.db2.gz BJOMPMNXPNHLRY-CVEARBPZSA-N 1 0 282.403 2.425 10 0 CEAERO CC(C)(c1noc(CC2C[NH2+]C2)n1)c1ccc(F)cc1 ZINC000069394811 519384496 /nfs/dbraw/zinc/38/44/96/519384496.db2.gz JBOKVXGVJPLSJH-UHFFFAOYSA-N 1 0 275.327 2.297 10 0 CEAERO CC(C)C[C@H]1C[NH2+][C@@H](C(C)C)CN1CCn1cccn1 ZINC000068703331 519414339 /nfs/dbraw/zinc/41/43/39/519414339.db2.gz JTQJSXSFRSGLCB-JKSUJKDBSA-N 1 0 278.444 2.228 10 0 CEAERO CC(C)C[C@H]1CN(Cc2cn3ccccc3n2)CC[NH2+]1 ZINC000068692970 519414509 /nfs/dbraw/zinc/41/45/09/519414509.db2.gz JTNPPTYTBUAGAY-AWEZNQCLSA-N 1 0 272.396 2.154 10 0 CEAERO CC(C)C(=O)N1CCC([NH2+][C@H](C)Cc2ccco2)CC1 ZINC000062771618 519458664 /nfs/dbraw/zinc/45/86/64/519458664.db2.gz GPRCPRUDLBCFCN-CYBMUJFWSA-N 1 0 278.396 2.447 10 0 CEAERO CC(C)N(C(=O)CN1CC[C@@H](C)[C@@H]([NH3+])C1)C1CCCCC1 ZINC000070147498 519555714 /nfs/dbraw/zinc/55/57/14/519555714.db2.gz WLFYSOIQXPJUJQ-ZBFHGGJFSA-N 1 0 295.471 2.225 10 0 CEAERO CC(C)N(C(=O)[C@@H]1CCCCO1)c1ccc(C[NH3+])cc1 ZINC000050958415 519571088 /nfs/dbraw/zinc/57/10/88/519571088.db2.gz GDQHYOPDNWPKBZ-HNNXBMFYSA-N 1 0 276.380 2.456 10 0 CEAERO CC(C)[N@H+](C)CCNC(=O)c1cnc(Cl)c(Cl)c1 ZINC000054131662 519625636 /nfs/dbraw/zinc/62/56/36/519625636.db2.gz BOMUXFNFEUZQRK-UHFFFAOYSA-N 1 0 290.194 2.458 10 0 CEAERO CC(C)N(CC(F)(F)F)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000055089501 519638096 /nfs/dbraw/zinc/63/80/96/519638096.db2.gz STTAIXBWAKHNHC-UWVGGRQHSA-N 1 0 266.307 2.303 10 0 CEAERO CC(C)CCN(C(=O)C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000054307868 519648782 /nfs/dbraw/zinc/64/87/82/519648782.db2.gz WACJJEKEDSJABL-CYBMUJFWSA-N 1 0 252.402 2.413 10 0 CEAERO CC(C)[NH+]1CCN(C(=O)c2cccc3c2NCCC3)CC1 ZINC000050957751 519680041 /nfs/dbraw/zinc/68/00/41/519680041.db2.gz RXXAUQRZFYMJIL-UHFFFAOYSA-N 1 0 287.407 2.211 10 0 CEAERO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc3c[nH]nc3c2)C1 ZINC000061670492 519685583 /nfs/dbraw/zinc/68/55/83/519685583.db2.gz OFCMFZRAQBUCQT-LBPRGKRZSA-N 1 0 286.379 2.023 10 0 CEAERO CC(C)CC[C@H](C)NS(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000069234733 519691416 /nfs/dbraw/zinc/69/14/16/519691416.db2.gz PZWSJPLWFIPVBN-KBPBESRZSA-N 1 0 290.473 2.263 10 0 CEAERO CC(C)CC[C@H](C[NH2+]C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000052951531 519692039 /nfs/dbraw/zinc/69/20/39/519692039.db2.gz PYGYEVCQBGRFMU-OLZOCXBDSA-N 1 0 273.442 2.226 10 0 CEAERO CC(C)[NH2+]C[C@@H](c1ccccc1)N1CCOC[C@@H]1C ZINC000052476130 519722989 /nfs/dbraw/zinc/72/29/89/519722989.db2.gz HZCOYMFNTDEFAG-HOCLYGCPSA-N 1 0 262.397 2.446 10 0 CEAERO CC(C)[NH2+]Cc1nnnn1-c1cccc(Cl)c1Cl ZINC000054744620 519729577 /nfs/dbraw/zinc/72/95/77/519729577.db2.gz NJYCWGUDZVOXPV-UHFFFAOYSA-N 1 0 286.166 2.467 10 0 CEAERO CC(C)[NH2+][C@H](CCOc1ccc(C(C)C)cc1)C(N)=O ZINC000062547946 519738594 /nfs/dbraw/zinc/73/85/94/519738594.db2.gz SRIANYGTXCKJBK-OAHLLOKOSA-N 1 0 278.396 2.431 10 0 CEAERO CC(C)C[NH2+]C[C@H]1CCCN1c1ncccc1F ZINC000054701291 519746196 /nfs/dbraw/zinc/74/61/96/519746196.db2.gz JTIDZAFKKASLFL-GFCCVEGCSA-N 1 0 251.349 2.435 10 0 CEAERO CC(=O)Nc1cccc([C@H](C)NC(=[NH2+])NC(C)C)c1 ZINC000052042648 519747276 /nfs/dbraw/zinc/74/72/76/519747276.db2.gz IPNGOOBGKBFGMG-JTQLQIEISA-N 1 0 262.357 2.228 10 0 CEAERO CC(C)C[NH2+]Cc1nc(Cc2ccc(O)cc2)no1 ZINC000062743508 519748461 /nfs/dbraw/zinc/74/84/61/519748461.db2.gz VTGZXDTXEXRIHH-UHFFFAOYSA-N 1 0 261.325 2.112 10 0 CEAERO CC(C)C[NH2+]Cc1cn(CCO[C@H](C)CC(C)C)nn1 ZINC000052603569 519748467 /nfs/dbraw/zinc/74/84/67/519748467.db2.gz MXUWUKPIBVOZPU-CQSZACIVSA-N 1 0 282.432 2.475 10 0 CEAERO CC(C)C[NH2+]Cc1nnnn1-c1ccccc1C(F)(F)F ZINC000054744811 519748820 /nfs/dbraw/zinc/74/88/20/519748820.db2.gz UIXALOMPZDDKFM-UHFFFAOYSA-N 1 0 299.300 2.427 10 0 CEAERO CC(C)OC[C@H](O)COc1ccc2c(c1)CCC[C@H]2[NH3+] ZINC000070099519 519774012 /nfs/dbraw/zinc/77/40/12/519774012.db2.gz PUZBSMZIMJRBDJ-XJKSGUPXSA-N 1 0 279.380 2.187 10 0 CEAERO CC(C)Oc1cccc(C(=O)N[C@H]2CCCC[NH2+]C2)c1 ZINC000070119962 519782603 /nfs/dbraw/zinc/78/26/03/519782603.db2.gz FDLJUGFSFZZDHD-AWEZNQCLSA-N 1 0 276.380 2.346 10 0 CEAERO CC(C)Oc1ccccc1NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000163919088 519784777 /nfs/dbraw/zinc/78/47/77/519784777.db2.gz WQVHKELSEWUJKX-NSHDSACASA-N 1 0 262.353 2.268 10 0 CEAERO CC(C)[C@@H](C)[NH2+]CCn1cnc2ccsc2c1=O ZINC000053529563 519792284 /nfs/dbraw/zinc/79/22/84/519792284.db2.gz GBKPWEYPFMATMW-SNVBAGLBSA-N 1 0 265.382 2.092 10 0 CEAERO CCC[NH+]1CCC([C@H](C)N[C@@H](C)C(=O)OCC)CC1 ZINC000049369780 519847834 /nfs/dbraw/zinc/84/78/34/519847834.db2.gz XCUDBVYLEUURKC-STQMWFEESA-N 1 0 270.417 2.038 10 0 CEAERO CCCN1CCO[C@H](C[NH2+]C)[C@@H]1c1cc(F)ccc1F ZINC000070288428 519861056 /nfs/dbraw/zinc/86/10/56/519861056.db2.gz IWRFGPFKKHHMGJ-CABCVRRESA-N 1 0 284.350 2.336 10 0 CEAERO CCCNC(=O)CCn1c2ccc(N)cc2[nH+]c1CC ZINC000052855157 519873445 /nfs/dbraw/zinc/87/34/45/519873445.db2.gz JWBZACITBJAHLQ-UHFFFAOYSA-N 1 0 274.368 2.097 10 0 CEAERO CC(C)c1nccn1[C@@H](C)C[NH2+]C[C@@H]1CCCO1 ZINC000053525277 519880464 /nfs/dbraw/zinc/88/04/64/519880464.db2.gz AEOBRTPAQGTILX-STQMWFEESA-N 1 0 251.374 2.336 10 0 CEAERO CC(C)c1nn(C)cc1C[NH2+][C@H](CO)c1ccccc1 ZINC000063000407 519882518 /nfs/dbraw/zinc/88/25/18/519882518.db2.gz RUSAUDZCVHIGPR-OAHLLOKOSA-N 1 0 273.380 2.367 10 0 CEAERO CCCn1nccc1[C@@H]([NH3+])Cc1csc(C)n1 ZINC000069472254 519891959 /nfs/dbraw/zinc/89/19/59/519891959.db2.gz WPWOQFAZFJXFBB-NSHDSACASA-N 1 0 250.371 2.301 10 0 CEAERO CCCNC(=O)[C@H](C)Oc1cc(F)ccc1[C@@H](C)[NH2+]C ZINC000062746475 519893680 /nfs/dbraw/zinc/89/36/80/519893680.db2.gz HDKRVPSTJIFSEV-MNOVXSKESA-N 1 0 282.359 2.400 10 0 CEAERO CCCNC(=O)c1ccccc1NC(=O)C(C)(C)[NH2+]CC ZINC000061287993 519904840 /nfs/dbraw/zinc/90/48/40/519904840.db2.gz OYULDVKWHQHMKM-UHFFFAOYSA-N 1 0 291.395 2.153 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)NCCCOCc1ccccc1 ZINC000061298720 519905213 /nfs/dbraw/zinc/90/52/13/519905213.db2.gz BSQZZAWHMYTXPU-UHFFFAOYSA-N 1 0 278.396 2.098 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N[C@H](C)c1ccc(OC)c(F)c1 ZINC000061292261 519906008 /nfs/dbraw/zinc/90/60/08/519906008.db2.gz YZKZTILAFQYNBY-SNVBAGLBSA-N 1 0 282.359 2.400 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1ccc(C)c(NC(C)=O)c1 ZINC000061293135 519906516 /nfs/dbraw/zinc/90/65/16/519906516.db2.gz FFTPRALOALQPCF-UHFFFAOYSA-N 1 0 277.368 2.280 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1ccc(-c2nnco2)cc1C ZINC000061293129 519906830 /nfs/dbraw/zinc/90/68/30/519906830.db2.gz FZFFYJHDVNZBMT-UHFFFAOYSA-N 1 0 288.351 2.372 10 0 CEAERO CC[NH2+]CCC(=O)N(C)Cc1ccc(OCC)cc1 ZINC000061293924 519915338 /nfs/dbraw/zinc/91/53/38/519915338.db2.gz FMLYBUUSXZBTPK-UHFFFAOYSA-N 1 0 264.369 2.043 10 0 CEAERO CCC[NH2+]CCNC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000154513759 519916685 /nfs/dbraw/zinc/91/66/85/519916685.db2.gz PERFHHSBXKFQRI-NEPJUHHUSA-N 1 0 282.334 2.184 10 0 CEAERO CC[NH2+]CCC(=O)N[C@@H](C)c1ccc(F)cc1F ZINC000061290774 519916782 /nfs/dbraw/zinc/91/67/82/519916782.db2.gz JZBXLSZLODQLSK-VIFPVBQESA-N 1 0 256.296 2.142 10 0 CEAERO CC[NH2+]CCC(=O)Nc1ccc(C)c2ncccc12 ZINC000061292915 519917789 /nfs/dbraw/zinc/91/77/89/519917789.db2.gz JTEBHSQPTAFGMU-UHFFFAOYSA-N 1 0 257.337 2.481 10 0 CEAERO CC[NH2+]CCC(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000061293628 519918327 /nfs/dbraw/zinc/91/83/27/519918327.db2.gz TXEGMTCNDZGJMD-UHFFFAOYSA-N 1 0 276.258 2.365 10 0 CEAERO CCC[NH2+]CC[C@@H](C)n1nnc(-c2ccccc2)n1 ZINC000052574714 519919608 /nfs/dbraw/zinc/91/96/08/519919608.db2.gz JNIAAJSYFOSTOW-GFCCVEGCSA-N 1 0 259.357 2.291 10 0 CEAERO CC[NH2+]CCCc1nnc(-c2ccccc2OC)o1 ZINC000050616873 519920936 /nfs/dbraw/zinc/92/09/36/519920936.db2.gz VMTODIOQCFUESW-UHFFFAOYSA-N 1 0 261.325 2.287 10 0 CEAERO CC[NH2+]CCNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000151418914 519922133 /nfs/dbraw/zinc/92/21/33/519922133.db2.gz HHJLLACMQRSTDN-VHSXEESVSA-N 1 0 284.762 2.308 10 0 CEAERO CCC[NH2+]C[C@@H]1CCCN(c2nccn(C(C)C)c2=O)C1 ZINC000061775504 519922751 /nfs/dbraw/zinc/92/27/51/519922751.db2.gz JLIBMINVJSTUBQ-AWEZNQCLSA-N 1 0 292.427 2.040 10 0 CEAERO CCC[NH2+]C[C@@H]1CCCN(c2ncccc2F)C1 ZINC000054701308 519923218 /nfs/dbraw/zinc/92/32/18/519923218.db2.gz RISNXTSOBHQULI-LBPRGKRZSA-N 1 0 251.349 2.437 10 0 CEAERO CCC[NH2+]C[C@@H]1CC[C@@H](COC[C@@H]2CCCCO2)O1 ZINC000052605228 519923929 /nfs/dbraw/zinc/92/39/29/519923929.db2.gz TXGXKHVUSVLIPI-KKUMJFAQSA-N 1 0 271.401 2.119 10 0 CEAERO CC[NH2+]CCc1nc(Cc2cc(F)cc(F)c2)no1 ZINC000051784494 519928074 /nfs/dbraw/zinc/92/80/74/519928074.db2.gz WTCZCGOYBRNEHB-UHFFFAOYSA-N 1 0 267.279 2.091 10 0 CEAERO CC[NH2+]CCc1c(C)nc(Cc2ccccn2)nc1C ZINC000054838209 519928310 /nfs/dbraw/zinc/92/83/10/519928310.db2.gz ORXBLKDYNCJINT-UHFFFAOYSA-N 1 0 270.380 2.231 10 0 CEAERO CC[NH2+]CC[C@@H](C)N1CCc2cc(OC)c(OC)cc2C1 ZINC000052417247 519928847 /nfs/dbraw/zinc/92/88/47/519928847.db2.gz OHQVSPKQFCREKH-CYBMUJFWSA-N 1 0 292.423 2.450 10 0 CEAERO CCC[NH2+]C[C@H](C)c1c(C)nc(N2CCOCC2)nc1C ZINC000054854931 519931695 /nfs/dbraw/zinc/93/16/95/519931695.db2.gz SCDGPQSJACRROJ-LBPRGKRZSA-N 1 0 292.427 2.033 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N(Cc1ccsc1)C1CC1 ZINC000061266883 519933777 /nfs/dbraw/zinc/93/37/77/519933777.db2.gz DYQJAIRARMDCHV-LLVKDONJSA-N 1 0 266.410 2.485 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N1CCc2sccc2[C@H]1C ZINC000061266340 519934761 /nfs/dbraw/zinc/93/47/61/519934761.db2.gz XQJUAHLPVGHCPE-GHMZBOCLSA-N 1 0 266.410 2.439 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N[C@H](C)Cc1ccccc1C ZINC000061234733 519937104 /nfs/dbraw/zinc/93/71/04/519937104.db2.gz AEFSTIUISDQPGA-ZIAGYGMSSA-N 1 0 262.397 2.288 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N[C@H]1CCCc2ccccc21 ZINC000061230340 519939606 /nfs/dbraw/zinc/93/96/06/519939606.db2.gz GKIRUGXZFDPUQF-DOMZBBRYSA-N 1 0 260.381 2.426 10 0 CEAERO CCC[NH2+]Cc1nccn1Cc1ccc(C(=O)OC)cc1 ZINC000051005200 519966879 /nfs/dbraw/zinc/96/68/79/519966879.db2.gz JNSOYAUBOLFVKG-UHFFFAOYSA-N 1 0 287.363 2.218 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1cccc2cccnc21 ZINC000061227321 519967971 /nfs/dbraw/zinc/96/79/71/519967971.db2.gz NVUWZLQSTAIWLZ-NSHDSACASA-N 1 0 257.337 2.419 10 0 CEAERO CC[NH2+]C[C@H](Cc1cnn(C)c1)Cc1ccccc1 ZINC000052952660 519973052 /nfs/dbraw/zinc/97/30/52/519973052.db2.gz GLFJLTFOAHGLCR-HNNXBMFYSA-N 1 0 257.381 2.431 10 0 CEAERO CC[NH2+]C[C@H]1C[C@H]1c1ccc(OC)c(OC)c1OC ZINC000054590595 519981315 /nfs/dbraw/zinc/98/13/15/519981315.db2.gz SIAHIQMAJRAIOZ-ZYHUDNBSSA-N 1 0 265.353 2.425 10 0 CEAERO CC[NH2+]Cc1cc(CN2C[C@@H](C)O[C@H](C)C2)oc1C ZINC000052380324 519991148 /nfs/dbraw/zinc/99/11/48/519991148.db2.gz DSIIEOVBLKFREN-VXGBXAGGSA-N 1 0 266.385 2.307 10 0 CEAERO CCC[NH2+][C@@H](CCCS(C)(=O)=O)C1CCCC1 ZINC000063017044 519993708 /nfs/dbraw/zinc/99/37/08/519993708.db2.gz HBHSAXZULNJIJU-ZDUSSCGKSA-N 1 0 261.431 2.370 10 0 CEAERO CCOCCOC[C@@H](O)C[NH2+][C@@H](CC)C1CCCCC1 ZINC000052338840 519996555 /nfs/dbraw/zinc/99/65/55/519996555.db2.gz GLMOODSJTFCPPT-HOTGVXAUSA-N 1 0 287.444 2.349 10 0 CEAERO CC[NH2+]Cc1ccc(S(=O)(=O)NC[C@H](C)CC)cc1 ZINC000054489463 520001148 /nfs/dbraw/zinc/00/11/48/520001148.db2.gz AYWDIEIFPIAIAM-GFCCVEGCSA-N 1 0 284.425 2.121 10 0 CEAERO CC[NH2+]Cc1cccc(CN2CCOC[C@@H]2CC)c1 ZINC000052481412 520004138 /nfs/dbraw/zinc/00/41/38/520004138.db2.gz YPUXHGDMWQYARU-INIZCTEOSA-N 1 0 262.397 2.407 10 0 CEAERO CC[NH2+]Cc1ccnc(N(CCOC)CC(C)C)c1 ZINC000051481785 520011414 /nfs/dbraw/zinc/01/14/14/520011414.db2.gz FQEXFVKUENEMTE-UHFFFAOYSA-N 1 0 265.401 2.300 10 0 CEAERO CCC[NH2+][C@@H](c1cc(OC)ccc1OC)[C@H]1COCCO1 ZINC000055300459 520015183 /nfs/dbraw/zinc/01/51/83/520015183.db2.gz UKQLMPRUAMNGLG-CVEARBPZSA-N 1 0 295.379 2.160 10 0 CEAERO CCC[NH2+][C@@H](c1cc(OC)ccc1OC)[C@@H]1COCCO1 ZINC000055300456 520015290 /nfs/dbraw/zinc/01/52/90/520015290.db2.gz UKQLMPRUAMNGLG-HOTGVXAUSA-N 1 0 295.379 2.160 10 0 CEAERO CCC[NH2+][C@@H]1CCN(c2cnc3ccccc3c2)C1=O ZINC000055142135 520024361 /nfs/dbraw/zinc/02/43/61/520024361.db2.gz BDPWSTGQTJENCB-OAHLLOKOSA-N 1 0 269.348 2.340 10 0 CEAERO CCC[NH2+][C@@H]1COc2cc(OCc3cnn(C)c3)ccc21 ZINC000062805065 520026399 /nfs/dbraw/zinc/02/63/99/520026399.db2.gz RUBPGWBODFWNGG-OAHLLOKOSA-N 1 0 287.363 2.432 10 0 CEAERO CCC[NH2+][C@@](C)(C[C@@H](C)Oc1ccccc1C)C(N)=O ZINC000068656380 520041627 /nfs/dbraw/zinc/04/16/27/520041627.db2.gz WOOHOQOWGTYLJB-CJNGLKHVSA-N 1 0 278.396 2.396 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1ccc(C(=O)OC)cc1C ZINC000061271214 520068030 /nfs/dbraw/zinc/06/80/30/520068030.db2.gz LTCHXLRAKWQRJP-NSHDSACASA-N 1 0 278.352 2.108 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1cc(OC)c(OC)cc1C ZINC000061270825 520068597 /nfs/dbraw/zinc/06/85/97/520068597.db2.gz PDINPDQMVSXFTF-NSHDSACASA-N 1 0 280.368 2.339 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1ccc(NC(=O)CC)cc1 ZINC000061270890 520069960 /nfs/dbraw/zinc/06/99/60/520069960.db2.gz FGHJJWKTZILUJC-NSHDSACASA-N 1 0 277.368 2.362 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1ccc(N(CC)CC)nc1 ZINC000061270693 520070038 /nfs/dbraw/zinc/07/00/38/520070038.db2.gz AJQLTUAEOXXBLC-LBPRGKRZSA-N 1 0 278.400 2.254 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1cccnc1OC(C)C ZINC000061274035 520071037 /nfs/dbraw/zinc/07/10/37/520071037.db2.gz FZTWMHZTBYEVAO-NSHDSACASA-N 1 0 265.357 2.195 10 0 CEAERO CC[NH2+][C@@H](C)CCc1ccc(OCCC(=O)NC)cc1 ZINC000051757184 520073384 /nfs/dbraw/zinc/07/33/84/520073384.db2.gz XEYRZNCYCDAGSC-ZDUSSCGKSA-N 1 0 278.396 2.132 10 0 CEAERO CCCN[C@H](CC[NH+](CCC)CCC)C(=O)OC ZINC000062442230 520073934 /nfs/dbraw/zinc/07/39/34/520073934.db2.gz GIYZLWOSUUEOED-CYBMUJFWSA-N 1 0 258.406 2.040 10 0 CEAERO CC[NH2+][C@@H](C)c1cc(Cl)ccc1OCC(=O)NC ZINC000050210120 520073962 /nfs/dbraw/zinc/07/39/62/520073962.db2.gz YSWOTVVPUIKGKS-VIFPVBQESA-N 1 0 270.760 2.135 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(F)cc1OCC(=O)N1CCCC1 ZINC000062747072 520075150 /nfs/dbraw/zinc/07/51/50/520075150.db2.gz SDPUFBNZQBZQIG-LBPRGKRZSA-N 1 0 294.370 2.497 10 0 CEAERO CCC[NH2+][C@H](CS(C)(=O)=O)c1cccc(C)c1 ZINC000052789190 520084770 /nfs/dbraw/zinc/08/47/70/520084770.db2.gz VDOKJOGSNXVWJA-CYBMUJFWSA-N 1 0 255.383 2.080 10 0 CEAERO CCC[NH2+][C@H](CS(C)(=O)=O)c1cccc(Cl)c1 ZINC000052789250 520085390 /nfs/dbraw/zinc/08/53/90/520085390.db2.gz CDKWBWVUMREFCH-GFCCVEGCSA-N 1 0 275.801 2.425 10 0 CEAERO CCC[NH2+][C@H]1CCN([C@@H](C)c2ccsc2)C1=O ZINC000061363820 520094810 /nfs/dbraw/zinc/09/48/10/520094810.db2.gz KJIAVNZUWNMKDH-JQWIXIFHSA-N 1 0 252.383 2.410 10 0 CEAERO CCC[NH2+][C@H]1CCOC[C@@H]1OCc1ccccc1F ZINC000069283786 520095778 /nfs/dbraw/zinc/09/57/78/520095778.db2.gz JIFJGIFYDIMCQD-GJZGRUSLSA-N 1 0 267.344 2.499 10 0 CEAERO CC[NH2+][C@@H](Cc1csc(C)n1)c1cnn(C)c1 ZINC000055295632 520105649 /nfs/dbraw/zinc/10/56/49/520105649.db2.gz XDWFFZGDVIJHCH-LBPRGKRZSA-N 1 0 250.371 2.078 10 0 CEAERO CC[NH2+][C@@H](c1ccc2[nH]c(=O)oc2c1)[C@H]1CCCCO1 ZINC000050962216 520111611 /nfs/dbraw/zinc/11/16/11/520111611.db2.gz WQLYJWHGZSWJRI-OCCSQVGLSA-N 1 0 276.336 2.341 10 0 CEAERO CCC[NH2+][C@](C)(C[C@@H](C)n1ncc2ccccc21)C(N)=O ZINC000068649727 520111999 /nfs/dbraw/zinc/11/19/99/520111999.db2.gz MLFFRURSZACXOB-MLGOLLRUSA-N 1 0 288.395 2.231 10 0 CEAERO CCCN[C@](C)(C[C@@H](C)[NH+]1CCC(C)(C)CC1)C(N)=O ZINC000068643202 520112045 /nfs/dbraw/zinc/11/20/45/520112045.db2.gz QLZMMVAWAANBQI-CZUORRHYSA-N 1 0 283.460 2.131 10 0 CEAERO CCCN[C@](C)(C[C@H](C)[NH+]1CCC(C)CC1)C(=O)OC ZINC000068618529 520115290 /nfs/dbraw/zinc/11/52/90/520115290.db2.gz NDSISZFWUKVBJY-GOEBONIOSA-N 1 0 284.444 2.428 10 0 CEAERO CCCCCC[C@@H](C)[NH2+][C@@H](C)C(=O)NCCCOC ZINC000049202748 520117184 /nfs/dbraw/zinc/11/71/84/520117184.db2.gz XRLOLMWCXVZARD-KGLIPLIRSA-N 1 0 272.433 2.476 10 0 CEAERO CCC[NH2+][C@](CO[C@H]1CCCC[C@@H]1C)(C(N)=O)C1CC1 ZINC000069196126 520124529 /nfs/dbraw/zinc/12/45/29/520124529.db2.gz RJWUOTDDKROIAB-NOLJZWGESA-N 1 0 282.428 2.215 10 0 CEAERO CCN[C@@](C[N@H+](C)C1CCCCC1)(C(=O)OC)C1CC1 ZINC000069095903 520149633 /nfs/dbraw/zinc/14/96/33/520149633.db2.gz NOQWVQKFLAMCDZ-MRXNPFEDSA-N 1 0 282.428 2.182 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N(Cc1ccc(C)o1)C1CC1 ZINC000061272377 520163477 /nfs/dbraw/zinc/16/34/77/520163477.db2.gz YIEQNWLQXKMVST-LLVKDONJSA-N 1 0 264.369 2.467 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1cc2c(cc1Cl)NC(=O)C2 ZINC000061270593 520168065 /nfs/dbraw/zinc/16/80/65/520168065.db2.gz LNVWCUSNDPUMET-MRVPVSSYSA-N 1 0 295.770 2.161 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1cc(NC(C)=O)ccc1C ZINC000061270115 520168432 /nfs/dbraw/zinc/16/84/32/520168432.db2.gz QSJVKYVTYCOLOU-LLVKDONJSA-N 1 0 277.368 2.280 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1ccc2c(c1)NC(=O)CS2 ZINC000061270940 520171177 /nfs/dbraw/zinc/17/11/77/520171177.db2.gz XYYDVRLRUQMTSB-SECBINFHSA-N 1 0 293.392 2.057 10 0 CEAERO CC[NH2+][C@H](C)c1cc(Cl)ccc1OC[C@H](O)COC ZINC000069053763 520176112 /nfs/dbraw/zinc/17/61/12/520176112.db2.gz HVTDVFDRWFXNDI-ZYHUDNBSSA-N 1 0 287.787 2.397 10 0 CEAERO CC[NH2+][C@H](C)c1cccc(OCCCC(=O)NC)c1 ZINC000068816374 520180007 /nfs/dbraw/zinc/18/00/07/520180007.db2.gz MVUBJBWFFFREIX-GFCCVEGCSA-N 1 0 264.369 2.262 10 0 CEAERO CC[NH2+][C@H](C)c1cccc(NC(=O)N(C)C[C@H](C)O)c1 ZINC000051843457 520180070 /nfs/dbraw/zinc/18/00/70/520180070.db2.gz LOWFFICTRAUZOK-NWDGAFQWSA-N 1 0 279.384 2.202 10 0 CEAERO CC[NH2+][C@H](CCSc1nc2ccccc2s1)C(N)=O ZINC000062597763 520194362 /nfs/dbraw/zinc/19/43/62/520194362.db2.gz HPIRFSNSYADZMU-SNVBAGLBSA-N 1 0 295.433 2.242 10 0 CEAERO CC[NH2+][C@H](CCSc1cccc(Cl)c1)C(N)=O ZINC000062603360 520195119 /nfs/dbraw/zinc/19/51/19/520195119.db2.gz GAZUAAMZMWQVRU-LLVKDONJSA-N 1 0 272.801 2.286 10 0 CEAERO CC[NH2+][C@H](Cc1cnn(C)c1)Cc1ccccc1F ZINC000050543111 520204157 /nfs/dbraw/zinc/20/41/57/520204157.db2.gz TVIVKEZRSMNUHX-CQSZACIVSA-N 1 0 261.344 2.323 10 0 CEAERO CC[NH2+][C@H](Cc1nc(C)cs1)C1CCOCC1 ZINC000069309915 520204303 /nfs/dbraw/zinc/20/43/03/520204303.db2.gz VLRVODNMBVUMFA-GFCCVEGCSA-N 1 0 254.399 2.399 10 0 CEAERO CC[NH2+][C@H](c1ccc2c(c1)CC(=O)N2C)[C@@H]1CCCOC1 ZINC000062233115 520209499 /nfs/dbraw/zinc/20/94/99/520209499.db2.gz PZPGWWFFLKXSBB-CXAGYDPISA-N 1 0 288.391 2.283 10 0 CEAERO CC[NH2+][C@H]1CCCc2nc(N3CCCCC3)ncc21 ZINC000050100897 520215803 /nfs/dbraw/zinc/21/58/03/520215803.db2.gz DELJBEVKUJENQJ-ZDUSSCGKSA-N 1 0 260.385 2.454 10 0 CEAERO CC[NH2+][C@H]1CCCc2cc(OC[C@H](O)COCC)ccc21 ZINC000069275781 520215966 /nfs/dbraw/zinc/21/59/66/520215966.db2.gz FZZNGPIGVZKAQN-PBHICJAKSA-N 1 0 293.407 2.450 10 0 CEAERO CC[NH2+][C@H]1CCc2c1cccc2OCc1ncon1 ZINC000062799535 520219375 /nfs/dbraw/zinc/21/93/75/520219375.db2.gz XATKRGMCXCAWCB-LBPRGKRZSA-N 1 0 259.309 2.245 10 0 CEAERO CCCCC[NH2+]C[C@@H](C)N1CCN(c2ccccn2)CC1 ZINC000053488138 520223557 /nfs/dbraw/zinc/22/35/57/520223557.db2.gz LFBDVSYLSIXQJT-MRXNPFEDSA-N 1 0 290.455 2.372 10 0 CEAERO CC[NH2+][C@](C)(C[C@@H](C)Oc1ccc(CC)cc1)C(N)=O ZINC000068655641 520236478 /nfs/dbraw/zinc/23/64/78/520236478.db2.gz QZDHWDAQSUIGPJ-MLGOLLRUSA-N 1 0 278.396 2.260 10 0 CEAERO CCN[C@](C)(C[C@@H](C)[N@H+](C)C[C@@H]1C[C@@H]1C)C(=O)OCC ZINC000068647620 520236676 /nfs/dbraw/zinc/23/66/76/520236676.db2.gz ZTUCVGYDDSNVRK-KNCOVGOOSA-N 1 0 284.444 2.284 10 0 CEAERO CCN[C@](C)(C[C@@H](C)[NH+]1CCC2(CCCC2)CC1)C(N)=O ZINC000068645368 520236783 /nfs/dbraw/zinc/23/67/83/520236783.db2.gz ZBOYJLLGNLJYSA-GDBMZVCRSA-N 1 0 295.471 2.275 10 0 CEAERO CCN[C@](C)(C[C@H](C)[N@H+](C)CC1CCCCC1)C(N)=O ZINC000068638360 520237689 /nfs/dbraw/zinc/23/76/89/520237689.db2.gz HRBHQGHYJGXIBA-XJKSGUPXSA-N 1 0 283.460 2.131 10 0 CEAERO CC[NH2+][C@](C)(C[C@H](C)[NH+](CC1CC1)CC1CC1)C(=O)[O-] ZINC000068647962 520240556 /nfs/dbraw/zinc/24/05/56/520240556.db2.gz QISDOWIHTRYOSK-BLLLJJGKSA-N 1 0 282.428 2.340 10 0 CEAERO CC[NH2+][C@](C)(C[C@H](C)Oc1cccc(CC)c1)C(N)=O ZINC000068654365 520241520 /nfs/dbraw/zinc/24/15/20/520241520.db2.gz RWELAHOQDPTQQV-BLLLJJGKSA-N 1 0 278.396 2.260 10 0 CEAERO CCNc1ccc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)cn1 ZINC000050777057 520292580 /nfs/dbraw/zinc/29/25/80/520292580.db2.gz MXRICKWYYWMNGC-CQSZACIVSA-N 1 0 292.427 2.220 10 0 CEAERO CCO[C@@H](C[NH3+])CCOc1cccc2cccnc21 ZINC000062741670 520308997 /nfs/dbraw/zinc/30/89/97/520308997.db2.gz FHOXAHYTAKLRFU-CYBMUJFWSA-N 1 0 260.337 2.368 10 0 CEAERO CCNc1ccccc1C(=O)N[C@@H](C)CC[NH+](C)C ZINC000050788297 520339793 /nfs/dbraw/zinc/33/97/93/520339793.db2.gz PNIOZCZGFWUACQ-LBPRGKRZSA-N 1 0 263.385 2.188 10 0 CEAERO CCNc1ncccc1C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC000050789012 520373294 /nfs/dbraw/zinc/37/32/94/520373294.db2.gz WXHHBPRCXVWYDE-UHFFFAOYSA-N 1 0 290.411 2.070 10 0 CEAERO CCNc1ncccc1C[N@@H+]1CCC[C@H](C(=O)OCC)C1 ZINC000052709473 520379064 /nfs/dbraw/zinc/37/90/64/520379064.db2.gz HOMZLRWYSYOOGT-AWEZNQCLSA-N 1 0 291.395 2.289 10 0 CEAERO CCN(CC(F)(F)F)C(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000055137040 520414175 /nfs/dbraw/zinc/41/41/75/520414175.db2.gz YHGAXYSEOIEWBN-VHSXEESVSA-N 1 0 266.307 2.305 10 0 CEAERO CCN(CC(F)(F)F)C(=O)[C@@H]1C[C@H]([NH3+])CC[C@@H]1C ZINC000055137061 520417583 /nfs/dbraw/zinc/41/75/83/520417583.db2.gz KGJVHVPBXCOVNB-IVZWLZJFSA-N 1 0 266.307 2.161 10 0 CEAERO CCCOc1ccc([C@@H]([NH2+]CC(C)C)C(N)=O)cc1 ZINC000052920237 520417968 /nfs/dbraw/zinc/41/79/68/520417968.db2.gz AGDVUYVBHPACAV-CQSZACIVSA-N 1 0 264.369 2.247 10 0 CEAERO CCN(CC)C(=O)CCCN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063189955 520459381 /nfs/dbraw/zinc/45/93/81/520459381.db2.gz ZPZCFWQWQBWATO-JKSUJKDBSA-N 1 0 295.471 2.242 10 0 CEAERO CCCC[N@H+](CC)C[C@](NCCC)(C(=O)OC)C1CC1 ZINC000069090142 520479609 /nfs/dbraw/zinc/47/96/09/520479609.db2.gz BIVVPHOBZXNDMW-MRXNPFEDSA-N 1 0 284.444 2.430 10 0 CEAERO CCCC[NH+](CCCC)CC[C@H](NC)C(=O)OC ZINC000062444481 520493990 /nfs/dbraw/zinc/49/39/90/520493990.db2.gz KTVPJQWKZAJWEG-ZDUSSCGKSA-N 1 0 258.406 2.040 10 0 CEAERO CCCOc1nc(N[C@H](C[NH+](C)C)C(C)C)ccc1N ZINC000049194712 520495151 /nfs/dbraw/zinc/49/51/51/520495151.db2.gz NVBUNRCWEOEGCV-CYBMUJFWSA-N 1 0 280.416 2.451 10 0 CEAERO CC1(C)CN(c2ncc(C[NH2+]C3CC3)s2)CCO1 ZINC000054904515 520497560 /nfs/dbraw/zinc/49/75/60/520497560.db2.gz HIICXJNTUHFCIT-UHFFFAOYSA-N 1 0 267.398 2.010 10 0 CEAERO CC1(C)COCCN1[C@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062710587 520506939 /nfs/dbraw/zinc/50/69/39/520506939.db2.gz CPONXHAUSXFWLG-GFCCVEGCSA-N 1 0 288.313 2.215 10 0 CEAERO CCO[C@H](C[NH3+])CN(Cc1cccs1)C1CC1 ZINC000062739723 520518159 /nfs/dbraw/zinc/51/81/59/520518159.db2.gz JFFSHMXORXTPIB-GFCCVEGCSA-N 1 0 254.399 2.076 10 0 CEAERO CCN(CC)C(=O)[C@@H](C)Oc1cc(F)ccc1[C@@H](C)[NH3+] ZINC000062745768 520521932 /nfs/dbraw/zinc/52/19/32/520521932.db2.gz HLFSLSCXRQYVEJ-GHMZBOCLSA-N 1 0 282.359 2.481 10 0 CEAERO CCCC[N@H+](C[C@](NC1CC1)(C(N)=O)C1CC1)[C@@H](C)CC ZINC000069191552 520541162 /nfs/dbraw/zinc/54/11/62/520541162.db2.gz RNULKFQCYXYIIN-SUMWQHHRSA-N 1 0 295.471 2.273 10 0 CEAERO CC1(C)Cc2cccc(OC[C@H]3CC[C@H](C[NH3+])O3)c2O1 ZINC000052654397 520583919 /nfs/dbraw/zinc/58/39/19/520583919.db2.gz DKVWKIPYDFQXSF-CHWSQXEVSA-N 1 0 277.364 2.285 10 0 CEAERO CC1(C)Cc2cccc(OC[C@@H]3CC[C@@H](C[NH3+])O3)c2O1 ZINC000052654398 520585170 /nfs/dbraw/zinc/58/51/70/520585170.db2.gz DKVWKIPYDFQXSF-STQMWFEESA-N 1 0 277.364 2.285 10 0 CEAERO CC[NH+](CC)CCCNC(=O)c1ccc(NC)cc1 ZINC000050728698 520619794 /nfs/dbraw/zinc/61/97/94/520619794.db2.gz WPUNWRZHQHHOSE-UHFFFAOYSA-N 1 0 263.385 2.190 10 0 CEAERO CCCCNC(=O)COc1ccc2c(c1)OC[C@H]2[NH2+]CC ZINC000062804592 520623803 /nfs/dbraw/zinc/62/38/03/520623803.db2.gz NWHNLKKAZYLPHB-CQSZACIVSA-N 1 0 292.379 2.025 10 0 CEAERO CCCCNC(=O)[C@H](C)[NH2+][C@H]1CCOc2ccccc21 ZINC000052928796 520669167 /nfs/dbraw/zinc/66/91/67/520669167.db2.gz APDQALPVLXWGDI-JSGCOSHPSA-N 1 0 276.380 2.405 10 0 CEAERO CCOC(=O)CC[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000045686115 520689701 /nfs/dbraw/zinc/68/97/01/520689701.db2.gz IMQIAOFDSHDFLE-LBPRGKRZSA-N 1 0 293.363 2.279 10 0 CEAERO CC[NH+](CC)C[C@H](O)CN[C@H](C)c1ccc(C)cc1 ZINC000049556612 520736848 /nfs/dbraw/zinc/73/68/48/520736848.db2.gz KKAVVAVQPPQTQH-GDBMZVCRSA-N 1 0 264.413 2.348 10 0 CEAERO CC[NH+](CC)C[C@H](O)CN[C@H](C)c1ccc(C)s1 ZINC000049182922 520737651 /nfs/dbraw/zinc/73/76/51/520737651.db2.gz TUYOIMVSOPTYKJ-CHWSQXEVSA-N 1 0 270.442 2.410 10 0 CEAERO CCC[C@@H]1CN(Cc2cnn(C)c2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000068702612 520841722 /nfs/dbraw/zinc/84/17/22/520841722.db2.gz BOMWJRQJDRFTKM-HZPDHXFCSA-N 1 0 276.428 2.163 10 0 CEAERO CC[NH+](CC)[C@H]1CCN(c2ccc(N)cc2F)C1 ZINC000062975844 520875588 /nfs/dbraw/zinc/87/55/88/520875588.db2.gz GVNZAWMYAPAQLJ-LBPRGKRZSA-N 1 0 251.349 2.328 10 0 CEAERO CC[NH+](CC)[C@H]1CCN(c2ccc(F)cc2N)C1 ZINC000062975814 520876903 /nfs/dbraw/zinc/87/69/03/520876903.db2.gz NOFQKDWAVNCMDO-LBPRGKRZSA-N 1 0 251.349 2.328 10 0 CEAERO CCOc1ccc(C(=O)N2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000051358713 520897942 /nfs/dbraw/zinc/89/79/42/520897942.db2.gz BCKZFCPRTYPFTL-CVEARBPZSA-N 1 0 288.391 2.442 10 0 CEAERO CCC[C@@](C)(C[NH3+])[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000054635999 520908717 /nfs/dbraw/zinc/90/87/17/520908717.db2.gz FWBYNICNUAGFPD-OCCSQVGLSA-N 1 0 267.394 2.323 10 0 CEAERO CC1CCC(C[NH3+])(NC(=O)CC[C@H]2CCCCO2)CC1 ZINC000069405706 520916456 /nfs/dbraw/zinc/91/64/56/520916456.db2.gz UOUVYXYSOMUOPU-NPCAHTBFSA-N 1 0 282.428 2.360 10 0 CEAERO CCC[C@@]1(C(=O)N(C)[C@@H]2CCSC2)CCC[NH2+]C1 ZINC000062853495 520940772 /nfs/dbraw/zinc/94/07/72/520940772.db2.gz NNAMWFIWYBMBSG-TZMCWYRMSA-N 1 0 270.442 2.120 10 0 CEAERO CC1CCC(NC(=O)[C@H]2C[C@@H]([NH3+])CC[C@@H]2C)CC1 ZINC000055124506 520951509 /nfs/dbraw/zinc/95/15/09/520951509.db2.gz LXLWGLKGWQDXSO-WHWAKUBCSA-N 1 0 252.402 2.445 10 0 CEAERO CCN(CC1CC1)[C@H]1COc2ccccc2[C@@H]1[NH2+]C ZINC000069238058 520970494 /nfs/dbraw/zinc/97/04/94/520970494.db2.gz GDYUKYGQGHMRCL-HOCLYGCPSA-N 1 0 260.381 2.440 10 0 CEAERO CCOC(=O)[C@@H](C)Oc1ccc(C[NH2+]C)cc1Cl ZINC000049954949 521032422 /nfs/dbraw/zinc/03/24/22/521032422.db2.gz ALCRPKJUZJEIRF-SECBINFHSA-N 1 0 271.744 2.390 10 0 CEAERO CCOC(=O)[C@@H](C[N@@H+]1CCCC(C)(C)C1)NC(C)C ZINC000069516577 521064334 /nfs/dbraw/zinc/06/43/34/521064334.db2.gz WDPOKXWBRCMQSJ-CYBMUJFWSA-N 1 0 270.417 2.038 10 0 CEAERO CCC[C@H]([NH3+])C(=O)Nc1cccc(COCC)c1 ZINC000157756210 521119158 /nfs/dbraw/zinc/11/91/58/521119158.db2.gz XMDNMGPNGGDMQP-ZDUSSCGKSA-N 1 0 250.342 2.289 10 0 CEAERO CCOC(=O)[C@@](C[N@H+](C)CC(C)(C)C)(NC1CC1)C1CC1 ZINC000069132517 521164996 /nfs/dbraw/zinc/16/49/96/521164996.db2.gz DAYIGUHBKGHFCN-KRWDZBQOSA-N 1 0 296.455 2.428 10 0 CEAERO CCOc1ccc(OC[C@H]2CC[C@H](C[NH2+]C)O2)cc1 ZINC000052652417 521178219 /nfs/dbraw/zinc/17/82/19/521178219.db2.gz HTWVSHRGFOWULI-HUUCEWRRSA-N 1 0 265.353 2.231 10 0 CEAERO CCOC(=O)[C@H](CC[NH+]1CCC(C)(C)CC1)NC(C)C ZINC000062532967 521243381 /nfs/dbraw/zinc/24/33/81/521243381.db2.gz GMJVDVMJRVVTGJ-AWEZNQCLSA-N 1 0 284.444 2.428 10 0 CEAERO CCOc1ccc([C@](O)([C@@H](C)[NH3+])C(F)(F)F)cc1 ZINC000062784298 521276839 /nfs/dbraw/zinc/27/68/39/521276839.db2.gz YRDKJLFEPJWQEK-LDYMZIIASA-N 1 0 263.259 2.182 10 0 CEAERO CC[N@@H+](Cc1cc2c(cc1N)OCCO2)CC1CC1 ZINC000069236972 521296729 /nfs/dbraw/zinc/29/67/29/521296729.db2.gz PFJXLCXTVKGJIQ-UHFFFAOYSA-N 1 0 262.353 2.272 10 0 CEAERO CCC[C@]1(C(=O)N2CCC[C@@H]2c2cc(C)no2)CC[NH2+]C1 ZINC000062896061 521298615 /nfs/dbraw/zinc/29/86/15/521298615.db2.gz QLSPYMVQBZMJBK-CJNGLKHVSA-N 1 0 291.395 2.426 10 0 CEAERO CCC[C@]1(C(=O)NCc2ccc(C)cc2)CC[NH2+]C1 ZINC000062889493 521299045 /nfs/dbraw/zinc/29/90/45/521299045.db2.gz WYFYSPDSWNMMSR-INIZCTEOSA-N 1 0 260.381 2.391 10 0 CEAERO CCC(C)(C)[N@H+](C)C[C@](NC1CC1)(C(=O)OC)C1CC1 ZINC000069446891 521304390 /nfs/dbraw/zinc/30/43/90/521304390.db2.gz AQLRZHBLLVXCTF-MRXNPFEDSA-N 1 0 282.428 2.181 10 0 CEAERO CCOC(=O)[C@](C)(C[N@H+](C)C(C)(C)CC)NC1CC1 ZINC000069446773 521319121 /nfs/dbraw/zinc/31/91/21/521319121.db2.gz WIQLSLFVECVQRJ-HNNXBMFYSA-N 1 0 270.417 2.181 10 0 CEAERO CCOC(=O)[C@](C[N@H+](C)C[C@@H]1C[C@@H]1C)(NC(C)C)C1CC1 ZINC000069233510 521336904 /nfs/dbraw/zinc/33/69/04/521336904.db2.gz LFIWANCBBKYSLS-GRDNDAEWSA-N 1 0 296.455 2.284 10 0 CEAERO CCOC(=O)[C@](C[N@H+](C)[C@@H](C)C1CC1)(NC(C)C)C1CC1 ZINC000069099908 521339083 /nfs/dbraw/zinc/33/90/83/521339083.db2.gz WNGMRWKAAZQZNW-SUMWQHHRSA-N 1 0 296.455 2.427 10 0 CEAERO CCCN(C(=O)C1(c2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000061617625 521414068 /nfs/dbraw/zinc/41/40/68/521414068.db2.gz UKQRSMMPLGWGEN-OAHLLOKOSA-N 1 0 272.392 2.319 10 0 CEAERO CCOC(=O)c1cc(N)ccc1N[C@H](C)CC[NH+](C)C ZINC000049562048 521437387 /nfs/dbraw/zinc/43/73/87/521437387.db2.gz PWUSHICCSMIRHI-LLVKDONJSA-N 1 0 279.384 2.198 10 0 CEAERO CCC(CC)C[N@H+](CC)CC[C@@H](NC1CC1)C(=O)OC ZINC000062461796 521520002 /nfs/dbraw/zinc/52/00/02/521520002.db2.gz BDIRLDIKEJFTBA-OAHLLOKOSA-N 1 0 284.444 2.428 10 0 CEAERO CCOC(=O)c1ccc(N[C@@H](C)CC[NH+](C)C)c(N)c1 ZINC000049562051 521521413 /nfs/dbraw/zinc/52/14/13/521521413.db2.gz NUMFOXXMWBWCNI-NSHDSACASA-N 1 0 279.384 2.198 10 0 CEAERO CCCc1nc(N2CCCC2)sc1C[NH2+]CCOC ZINC000054995136 521530596 /nfs/dbraw/zinc/53/05/96/521530596.db2.gz USQQPLKJBSGOFJ-UHFFFAOYSA-N 1 0 283.441 2.432 10 0 CEAERO CCCc1[nH+]c2cc(N)ccc2n1CCC(=O)N(C)C ZINC000052854330 521542173 /nfs/dbraw/zinc/54/21/73/521542173.db2.gz LXVQNZFUCSBTGG-UHFFFAOYSA-N 1 0 274.368 2.049 10 0 CEAERO CC[NH+]1CCC(CNc2nc(Cl)nc(Cl)n2)CC1 ZINC000061518967 521550996 /nfs/dbraw/zinc/55/09/96/521550996.db2.gz BPEPEAVHNQYXDG-UHFFFAOYSA-N 1 0 290.198 2.322 10 0 CEAERO CCC(CC)N(CCOC)Cc1csc(C[NH3+])n1 ZINC000052573352 521562353 /nfs/dbraw/zinc/56/23/53/521562353.db2.gz LEEVFJKWBXHKED-UHFFFAOYSA-N 1 0 271.430 2.239 10 0 CEAERO CCC(CC)N(CCOC)c1ccc(C[NH2+]C)cn1 ZINC000051519794 521562460 /nfs/dbraw/zinc/56/24/60/521562460.db2.gz RIBCHBSCAZWSLV-UHFFFAOYSA-N 1 0 265.401 2.442 10 0 CEAERO CCCc1noc(Cn2ccnc2C[NH2+]C(C)(C)C)n1 ZINC000051015259 521591243 /nfs/dbraw/zinc/59/12/43/521591243.db2.gz DYZBANPJOANVPJ-UHFFFAOYSA-N 1 0 277.372 2.155 10 0 CEAERO CCC[N@H+](CCC(=O)OC)Cc1cccc(N)c1 ZINC000069318144 521629874 /nfs/dbraw/zinc/62/98/74/521629874.db2.gz AAKORVFPKWLBJN-UHFFFAOYSA-N 1 0 250.342 2.044 10 0 CEAERO CCS(=O)(=O)CC[NH2+][C@H](c1cccs1)C(C)C ZINC000049556199 521643997 /nfs/dbraw/zinc/64/39/97/521643997.db2.gz BKGDLOKIEODMQU-LBPRGKRZSA-N 1 0 275.439 2.470 10 0 CEAERO CCC[NH+](CCC)CC[C@@H](NC(C)C)C(=O)OC ZINC000062442235 521647256 /nfs/dbraw/zinc/64/72/56/521647256.db2.gz FQMQIHGPSMYUIY-CYBMUJFWSA-N 1 0 258.406 2.038 10 0 CEAERO CCCn1ccnc(N2CCC[C@@H]2C[NH2+]C(C)(C)C)c1=O ZINC000061774378 521659953 /nfs/dbraw/zinc/65/99/53/521659953.db2.gz SYVRLWMFMBFUEZ-CYBMUJFWSA-N 1 0 292.427 2.010 10 0 CEAERO CCC[N@H+](C[C@](NC(C)C)(C(=O)OC)C1CC1)C(C)C ZINC000069097768 521677552 /nfs/dbraw/zinc/67/75/52/521677552.db2.gz UVOIGQVIOVSGKH-MRXNPFEDSA-N 1 0 284.444 2.427 10 0 CEAERO CCC1(C)CC[NH+]([C@@H](C)C[C@@](C)(NC2CC2)C(N)=O)CC1 ZINC000068645269 521678539 /nfs/dbraw/zinc/67/85/39/521678539.db2.gz LPJGSSNGDKEBLU-SUMWQHHRSA-N 1 0 295.471 2.273 10 0 CEAERO CCC[N@H+](C[C@](NCC)(C(=O)OC)C1CC1)C(C)C ZINC000069097838 521678696 /nfs/dbraw/zinc/67/86/96/521678696.db2.gz YKCFLGMSHLQMRX-OAHLLOKOSA-N 1 0 270.417 2.038 10 0 CEAERO CCS(=O)(=O)c1ccc(OC[C@@H]2CCCC[NH2+]2)cc1 ZINC000051883357 521690262 /nfs/dbraw/zinc/69/02/62/521690262.db2.gz NGISUANIYHOOLV-LBPRGKRZSA-N 1 0 283.393 2.001 10 0 CEAERO CCCN(Cc1ncccn1)C1(C[NH3+])CCCCC1 ZINC000054458679 521694628 /nfs/dbraw/zinc/69/46/28/521694628.db2.gz RRSRIIFNXJAMFG-UHFFFAOYSA-N 1 0 262.401 2.350 10 0 CEAERO CCOCCCC[NH2+]CCSc1nnc2ccccn21 ZINC000061408694 521703622 /nfs/dbraw/zinc/70/36/22/521703622.db2.gz LPGUVMULKPSBIV-UHFFFAOYSA-N 1 0 294.424 2.228 10 0 CEAERO CCc1cccc(NC(=O)c2ccc(NN)[nH+]c2)c1 ZINC000051112625 521769916 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ZINC000051112178 521906424 /nfs/dbraw/zinc/90/64/24/521906424.db2.gz GETYJTSGEPQOOB-UHFFFAOYSA-N 1 0 256.309 2.182 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000061300759 521939293 /nfs/dbraw/zinc/93/92/93/521939293.db2.gz KKGOGCNOXFNIPH-FIXISWKDSA-N 1 0 252.402 2.315 10 0 CEAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(OC)c(OC(F)F)c1 ZINC000061316447 521943567 /nfs/dbraw/zinc/94/35/67/521943567.db2.gz SDBCJFLRIQAOEC-UHFFFAOYSA-N 1 0 288.294 2.233 10 0 CEAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000061316708 521943607 /nfs/dbraw/zinc/94/36/07/521943607.db2.gz YVJXKUXJXFELII-UHFFFAOYSA-N 1 0 276.258 2.364 10 0 CEAERO CCc1ccccc1[C@H](C[NH3+])N(CCCOC)CCOC ZINC000052203804 521952966 /nfs/dbraw/zinc/95/29/66/521952966.db2.gz YVAXDWMEWCBXDX-KRWDZBQOSA-N 1 0 294.439 2.234 10 0 CEAERO COCCc1ccc(OCc2ccc[nH+]c2NN)cc1 ZINC000052729773 522013265 /nfs/dbraw/zinc/01/32/65/522013265.db2.gz JCBPJWSIXQUZKU-UHFFFAOYSA-N 1 0 273.336 2.135 10 0 CEAERO C[NH2+]C[C@@H](C(C)C)N1CCN(c2ccccc2OC)CC1 ZINC000052422902 522025025 /nfs/dbraw/zinc/02/50/25/522025025.db2.gz SRZSVUMUQKOFES-INIZCTEOSA-N 1 0 291.439 2.061 10 0 CEAERO C[NH+](C)[C@@H]1CCN(Cc2c(N)cccc2Br)C1 ZINC000062963827 522052152 /nfs/dbraw/zinc/05/21/52/522052152.db2.gz PIXUQGOFTAFNAU-SNVBAGLBSA-N 1 0 298.228 2.167 10 0 CEAERO C[NH2+]C[C@@H]1CC[C@H](Cn2cc(-c3ccccc3)cn2)O1 ZINC000054962024 522060999 /nfs/dbraw/zinc/06/09/99/522060999.db2.gz OPTSWJGZEUDGQS-JKSUJKDBSA-N 1 0 271.364 2.317 10 0 CEAERO C[NH2+]C[C@@H]1OCCN(C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000070289313 522063229 /nfs/dbraw/zinc/06/32/29/522063229.db2.gz KKERQODXICCQNO-LSDHHAIUSA-N 1 0 282.334 2.089 10 0 CEAERO C[NH2+]C[C@H](Cc1cnn(C)c1)Cc1ccc(OC)cc1 ZINC000052975867 522075004 /nfs/dbraw/zinc/07/50/04/522075004.db2.gz QLWLTXJNHJMOPT-AWEZNQCLSA-N 1 0 273.380 2.050 10 0 CEAERO C[NH2+]C[C@H]1CC[C@H](Cn2cc(-c3ccccc3)cn2)O1 ZINC000054962025 522096331 /nfs/dbraw/zinc/09/63/31/522096331.db2.gz OPTSWJGZEUDGQS-HZPDHXFCSA-N 1 0 271.364 2.317 10 0 CEAERO C[NH2+]C[C@H]1C[C@@H]1c1cc(OC)c(OC)cc1OC ZINC000054588634 522098489 /nfs/dbraw/zinc/09/84/89/522098489.db2.gz FMHDGRCZTLHZSQ-ZJUUUORDSA-N 1 0 251.326 2.035 10 0 CEAERO C[NH2+]Cc1cc(CN2CCO[C@@H]3CCCC[C@@H]32)oc1C ZINC000052573095 522107281 /nfs/dbraw/zinc/10/72/81/522107281.db2.gz MWJMBZHZVRAMMU-JKSUJKDBSA-N 1 0 278.396 2.451 10 0 CEAERO C[NH2+]Cc1cc(CN2CCO[C@@H]3CCCC[C@@H]32)c(C)o1 ZINC000052573225 522107430 /nfs/dbraw/zinc/10/74/30/522107430.db2.gz AAPKNQJPLMVALH-JKSUJKDBSA-N 1 0 278.396 2.451 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(c2ccc(N)c(OC(C)C)n2)CC1 ZINC000055066392 522133678 /nfs/dbraw/zinc/13/36/78/522133678.db2.gz GMNKBZZPTZRMHD-CYBMUJFWSA-N 1 0 292.427 2.372 10 0 CEAERO C[NH2+]Cc1nc2cc(Br)cc(F)c2o1 ZINC000062538307 522154770 /nfs/dbraw/zinc/15/47/70/522154770.db2.gz SWUVWODJRMTRDR-UHFFFAOYSA-N 1 0 259.078 2.449 10 0 CEAERO COC[C@@H](C)C[NH2+]Cc1nnc(-c2ccccc2)o1 ZINC000050601988 522203969 /nfs/dbraw/zinc/20/39/69/522203969.db2.gz MXVRUCDOAPCDPQ-NSHDSACASA-N 1 0 261.325 2.109 10 0 CEAERO CN(C)c1ccc([C@@H](O)[C@H]([NH3+])Cc2ccccc2)cc1 ZINC000054686147 522245561 /nfs/dbraw/zinc/24/55/61/522245561.db2.gz UMFYRMFMVXVBJI-IAGOWNOFSA-N 1 0 270.376 2.356 10 0 CEAERO COC(=O)c1ccccc1NC(=O)CCC1CC[NH2+]CC1 ZINC000050942630 522270061 /nfs/dbraw/zinc/27/00/61/522270061.db2.gz BSKRDZCRSRGFLI-UHFFFAOYSA-N 1 0 290.363 2.192 10 0 CEAERO COc1cc(C)ccc1[C@@H](C)[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000069142115 522281743 /nfs/dbraw/zinc/28/17/43/522281743.db2.gz ZLYNLPGPYOPDQW-CHWSQXEVSA-N 1 0 297.420 2.231 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(F)cc1O[C@@H](C)C(=O)NC(C)C ZINC000062746493 522331892 /nfs/dbraw/zinc/33/18/92/522331892.db2.gz DAKVXMDTIRDYNR-QWRGUYRKSA-N 1 0 282.359 2.398 10 0 CEAERO CC[C@H]([NH3+])Cc1c(C)nn(Cc2cnn(CC)c2)c1C ZINC000054741249 522332368 /nfs/dbraw/zinc/33/23/68/522332368.db2.gz CGLDTLFRSPDFGX-AWEZNQCLSA-N 1 0 275.400 2.044 10 0 CEAERO CC[C@H]([NH3+])Cc1cnc(-c2ccc(OC)c(OC)c2)nc1 ZINC000054858271 522334920 /nfs/dbraw/zinc/33/49/20/522334920.db2.gz CNJFFDXKAYGPDG-ZDUSSCGKSA-N 1 0 287.363 2.441 10 0 CEAERO CCc1nc(CN[C@H](C[NH+](C)C)C(C)C)cs1 ZINC000049591364 522354789 /nfs/dbraw/zinc/35/47/89/522354789.db2.gz LWFHWJJDRKJRMW-GFCCVEGCSA-N 1 0 255.431 2.381 10 0 CEAERO C[NH2+][C@@H]1CC(C)(C)Oc2cc(OCCC(=O)OC)ccc21 ZINC000069317356 522375799 /nfs/dbraw/zinc/37/57/99/522375799.db2.gz LCMOOFGDUAEVJY-CYBMUJFWSA-N 1 0 293.363 2.450 10 0 CEAERO CN(C1CCCCCC1)S(=O)(=O)C[C@@H]1CCCC[NH2+]1 ZINC000049631166 522414402 /nfs/dbraw/zinc/41/44/02/522414402.db2.gz XVPLGBAKLVSEPD-ZDUSSCGKSA-N 1 0 288.457 2.113 10 0 CEAERO C[NH2+][C@H](C)c1ccc(NC(=O)C2CCOCC2)cc1 ZINC000061671090 522448598 /nfs/dbraw/zinc/44/85/98/522448598.db2.gz ATSHMQRFPXWDNX-LLVKDONJSA-N 1 0 262.353 2.332 10 0 CEAERO C[NH2+][C@H](Cc1cnn(C)c1)Cc1ccc(C)c(C)c1 ZINC000061681629 522474935 /nfs/dbraw/zinc/47/49/35/522474935.db2.gz NIPPLBKFGAEMPK-INIZCTEOSA-N 1 0 257.381 2.410 10 0 CEAERO COc1cc(C[NH2+][C@@]2(CO)CCC[C@H](C)C2)ccc1O ZINC000053115030 522480050 /nfs/dbraw/zinc/48/00/50/522480050.db2.gz KKLCAZVYNHRETJ-LRDDRELGSA-N 1 0 279.380 2.432 10 0 CEAERO CCc1[nH+]c2cc(N)ccc2n1CCCn1ccnc1 ZINC000052852196 522486138 /nfs/dbraw/zinc/48/61/38/522486138.db2.gz IZQUFGSVZUASNV-UHFFFAOYSA-N 1 0 269.352 2.468 10 0 CEAERO C[NH2+][C@H](c1cnn(C)c1)c1ccc2ncccc2c1 ZINC000062802274 522487567 /nfs/dbraw/zinc/48/75/67/522487567.db2.gz IAKDJLDXUWZAMZ-HNNXBMFYSA-N 1 0 252.321 2.277 10 0 CEAERO C[NH2+][C@H]1CCCN(C(=O)c2cccc(OC(C)C)c2)C1 ZINC000061666839 522494615 /nfs/dbraw/zinc/49/46/15/522494615.db2.gz MQGIFVOATLKZNM-AWEZNQCLSA-N 1 0 276.380 2.298 10 0 CEAERO C[NH2+][C@H]1CCc2c1cccc2OCC(=O)NC(C)(C)C ZINC000062799344 522505269 /nfs/dbraw/zinc/50/52/69/522505269.db2.gz GOFOYQVFIXGVOO-ZDUSSCGKSA-N 1 0 276.380 2.187 10 0 CEAERO C[NH2+][C@H]1COc2cc(OCc3nc(C(C)C)no3)ccc21 ZINC000062804027 522508185 /nfs/dbraw/zinc/50/81/85/522508185.db2.gz JBJJRXMXTBKCKD-LBPRGKRZSA-N 1 0 289.335 2.425 10 0 CEAERO C[NH2+][C@](C)(C[C@H](C)Oc1ccc2c(c1)CCCC2)C(N)=O ZINC000068652526 522522633 /nfs/dbraw/zinc/52/26/33/522522633.db2.gz BXKIQXYCJSGEQG-YVEFUNNKSA-N 1 0 290.407 2.186 10 0 CEAERO CNc1c(F)cccc1C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000061656074 522544199 /nfs/dbraw/zinc/54/41/99/522544199.db2.gz FIQLRYIHQKMMNK-NSHDSACASA-N 1 0 279.359 2.034 10 0 CEAERO COc1cc(N)ccc1OCCC[NH+]1CCCC1 ZINC000050505662 522627268 /nfs/dbraw/zinc/62/72/68/522627268.db2.gz JMWNSZLQYVCNFM-UHFFFAOYSA-N 1 0 250.342 2.142 10 0 CEAERO COC[C@H](C)O[C@@H](c1cccc(OC)c1)[C@@H](C)[NH3+] ZINC000070204377 522636465 /nfs/dbraw/zinc/63/64/65/522636465.db2.gz CQJLBDQXINJIIU-MISXGVKJSA-N 1 0 253.342 2.135 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc(C)ccc1OCCC(=O)OC ZINC000069319048 522642563 /nfs/dbraw/zinc/64/25/63/522642563.db2.gz HAEGXFOGYGTQCO-CYBMUJFWSA-N 1 0 265.353 2.217 10 0 CEAERO CC[C@@H]([NH3+])Cc1cnc(Cc2ccccc2OC)nc1 ZINC000054858023 522644325 /nfs/dbraw/zinc/64/43/25/522644325.db2.gz JNISBVHPYPIVME-CQSZACIVSA-N 1 0 271.364 2.356 10 0 CEAERO CC[C@@H]([NH3+])Cc1cnc(Cc2ccccc2F)nc1 ZINC000054858161 522644706 /nfs/dbraw/zinc/64/47/06/522644706.db2.gz JCNHPOONYVJMOW-CYBMUJFWSA-N 1 0 259.328 2.486 10 0 CEAERO CC[C@@H]([NH3+])Cc1noc([C@H]2Cc3ccccc3O2)n1 ZINC000054184588 522647342 /nfs/dbraw/zinc/64/73/42/522647342.db2.gz IXBKLIZXVUNDIH-ZYHUDNBSSA-N 1 0 259.309 2.026 10 0 CEAERO CNc1nc(C[N@H+](CCCO)C(C)C)nc2sccc21 ZINC000050818058 522680943 /nfs/dbraw/zinc/68/09/43/522680943.db2.gz CSBRWVFNZRFNFC-UHFFFAOYSA-N 1 0 294.424 2.326 10 0 CEAERO Clc1cnccc1C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000174854567 534657625 /nfs/dbraw/zinc/65/76/25/534657625.db2.gz IPQUBEUVHQKOPE-LBPRGKRZSA-N 1 0 291.786 2.239 10 0 CEAERO CC[C@@H]([NH2+]C)c1c(C)nn(Cc2cnn(CC)c2)c1C ZINC000054718670 522805604 /nfs/dbraw/zinc/80/56/04/522805604.db2.gz IUOXEIKWMIEQTC-CQSZACIVSA-N 1 0 275.400 2.435 10 0 CEAERO COc1cc(OC)c([C@@H](O)[C@H]([NH3+])CC(C)C)cc1OC ZINC000054929588 522830384 /nfs/dbraw/zinc/83/03/84/522830384.db2.gz IQGXLCMWGTVKOU-IAQYHMDHSA-N 1 0 283.368 2.119 10 0 CEAERO COc1cc(OC)cc(C(=O)N[C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000063212138 522853229 /nfs/dbraw/zinc/85/32/29/522853229.db2.gz YURUGWLRGDDHCW-LSDHHAIUSA-N 1 0 292.379 2.094 10 0 CEAERO CC[C@@H](NS(=O)(=O)c1ccc([C@H](C)[NH3+])cc1)C(C)C ZINC000049147331 522904428 /nfs/dbraw/zinc/90/44/28/522904428.db2.gz WARLIJRAHMUTLZ-SMDDNHRTSA-N 1 0 284.425 2.419 10 0 CEAERO COC(=O)CC(C)(C)C[C@H]([NH3+])c1ccc2[nH]c(=O)oc2c1 ZINC000061825420 522921674 /nfs/dbraw/zinc/92/16/74/522921674.db2.gz VIEUJEXZTQBBNM-JTQLQIEISA-N 1 0 292.335 2.100 10 0 CEAERO C[N@H+](CC[C@H]([NH2+]C1CC1)C(=O)[O-])CC1CCCCC1 ZINC000062526695 522933385 /nfs/dbraw/zinc/93/33/85/522933385.db2.gz ZKTXYIWVZGOLEX-AWEZNQCLSA-N 1 0 268.401 2.094 10 0 CEAERO COc1cc([C@H](O)[C@@H]([NH3+])c2ccccc2)ccc1O ZINC000054681661 522952911 /nfs/dbraw/zinc/95/29/11/522952911.db2.gz PTDDSWKGFXSPGZ-GJZGRUSLSA-N 1 0 259.305 2.134 10 0 CEAERO C[N@H+](C[C@@H](O)COC(C)(C)C)C(C1CC1)C1CC1 ZINC000051579580 523020499 /nfs/dbraw/zinc/02/04/99/523020499.db2.gz 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/nfs/dbraw/zinc/22/43/48/523224348.db2.gz NALADOGRRUCBEG-UHFFFAOYSA-N 1 0 251.326 2.127 10 0 CEAERO CN(Cc1ccc(Cl)s1)C(=O)c1ccc(NN)[nH+]c1 ZINC000051094806 523236650 /nfs/dbraw/zinc/23/66/50/523236650.db2.gz GDCPOTKWKCWXPQ-UHFFFAOYSA-N 1 0 296.783 2.354 10 0 CEAERO CC[C@@H]1CCC[N@H+](Cc2ccnc(C(N)=S)c2)C1 ZINC000068752031 523251933 /nfs/dbraw/zinc/25/19/33/523251933.db2.gz ITVAOXDAQFRXCY-LLVKDONJSA-N 1 0 263.410 2.338 10 0 CEAERO CN(Cc1ccc(F)cc1)c1ncc(C[NH3+])s1 ZINC000054898837 523252559 /nfs/dbraw/zinc/25/25/59/523252559.db2.gz MVNVCXYRARWLBC-UHFFFAOYSA-N 1 0 251.330 2.377 10 0 CEAERO CC[C@H]1CN([C@@H](CC(N)=[NH2+])c2ccccc2)CCO1 ZINC000055022834 523302966 /nfs/dbraw/zinc/30/29/66/523302966.db2.gz IQEKNGHJAZEBKJ-KBPBESRZSA-N 1 0 261.369 2.165 10 0 CEAERO CO[C@@H](C(=O)N(C)CCC1CC[NH2+]CC1)c1ccccc1 ZINC000050437537 523307515 /nfs/dbraw/zinc/30/75/15/523307515.db2.gz FGOCFJGJDBAEHP-MRXNPFEDSA-N 1 0 290.407 2.222 10 0 CEAERO CC[C@H]1CN(c2nc(C3CC3)c(C[NH2+]C)s2)CCO1 ZINC000069147046 523309169 /nfs/dbraw/zinc/30/91/69/523309169.db2.gz UMZAQODCTRXRDG-NSHDSACASA-N 1 0 281.425 2.355 10 0 CEAERO COC(=O)C[C@H](C)C[C@@H]([NH3+])c1ccc2c(c1)CCO2 ZINC000061830038 523324570 /nfs/dbraw/zinc/32/45/70/523324570.db2.gz QFPVWBRAKOUZIR-ZWNOBZJWSA-N 1 0 263.337 2.211 10 0 CEAERO COC(=O)C[C@H](C)C[C@@H]([NH3+])c1ccc2c(c1)COC2 ZINC000062334133 523326264 /nfs/dbraw/zinc/32/62/64/523326264.db2.gz INVPYDAOWFEFAH-QMTHXVAHSA-N 1 0 263.337 2.306 10 0 CEAERO COCCC[NH2+]CCNc1ccc(OC)c(Cl)c1 ZINC000066189841 523372549 /nfs/dbraw/zinc/37/25/49/523372549.db2.gz CDSQRDIWOJRWMR-UHFFFAOYSA-N 1 0 272.776 2.387 10 0 CEAERO CCn1cc(COc2ccc3c(c2)OC[C@@H]3[NH2+]C)cn1 ZINC000062804221 523392025 /nfs/dbraw/zinc/39/20/25/523392025.db2.gz IWOCTUJMQBWPIR-AWEZNQCLSA-N 1 0 273.336 2.135 10 0 CEAERO CCn1cc(C[C@H]([NH2+]C)c2cccc(OC)c2)cn1 ZINC000050542279 523395633 /nfs/dbraw/zinc/39/56/33/523395633.db2.gz IRURYQUFWVKTFF-HNNXBMFYSA-N 1 0 259.353 2.415 10 0 CEAERO CCn1cc(C[C@@](C)([NH3+])c2cccc(OC)c2)cn1 ZINC000050541705 523396675 /nfs/dbraw/zinc/39/66/75/523396675.db2.gz JQBIYVUQBLIMDF-OAHLLOKOSA-N 1 0 259.353 2.328 10 0 CEAERO COCCCOc1ccc(C[NH2+]CC(C)C)cn1 ZINC000051522409 523414391 /nfs/dbraw/zinc/41/43/91/523414391.db2.gz DDVSXGHRYMJWRH-UHFFFAOYSA-N 1 0 252.358 2.243 10 0 CEAERO CC[C@@H]1CN(CC2(C[NH2+]CC(C)C)CCOCC2)CCO1 ZINC000052181696 523437676 /nfs/dbraw/zinc/43/76/76/523437676.db2.gz QFQVYZJVFOUOPT-MRXNPFEDSA-N 1 0 298.471 2.140 10 0 CEAERO CN(Cc1cccs1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054306068 523441933 /nfs/dbraw/zinc/44/19/33/523441933.db2.gz QOONIZBRYYQJPJ-LLVKDONJSA-N 1 0 252.383 2.096 10 0 CEAERO CC[C@@H]1CN(c2nc(C3CC3)c(C[NH3+])s2)CCO1 ZINC000069147043 523472654 /nfs/dbraw/zinc/47/26/54/523472654.db2.gz YHWHZYAXZCYOGM-SNVBAGLBSA-N 1 0 267.398 2.094 10 0 CEAERO CCn1ccnc(N(CCC[NH3+])c2cccc(C)c2)c1=O ZINC000061757926 523502667 /nfs/dbraw/zinc/50/26/67/523502667.db2.gz JJZCXQRGACOTMZ-UHFFFAOYSA-N 1 0 286.379 2.059 10 0 CEAERO CC[C@@H]1CO[C@@H](C)CN1c1ncc([C@@H](C)[NH3+])s1 ZINC000054898185 523510833 /nfs/dbraw/zinc/51/08/33/523510833.db2.gz SDGYYIGGQXVDEV-IVZWLZJFSA-N 1 0 255.387 2.167 10 0 CEAERO COCCN(C(=O)[C@](C)([NH3+])c1ccccc1)[C@H](C)C1CC1 ZINC000052882214 523551842 /nfs/dbraw/zinc/55/18/42/523551842.db2.gz UPWOLTXJSQTIMJ-CXAGYDPISA-N 1 0 290.407 2.134 10 0 CEAERO CCn1ccnc1[C@H]([NH3+])Cc1ccc(OC)c(OC)c1 ZINC000069497812 523560535 /nfs/dbraw/zinc/56/05/35/523560535.db2.gz CVMUAXCOVMUMQV-GFCCVEGCSA-N 1 0 275.352 2.163 10 0 CEAERO CN([C@H](C[NH3+])CCc1ccccc1)[C@@H]1CCSC1 ZINC000061624599 523626178 /nfs/dbraw/zinc/62/61/78/523626178.db2.gz QLYJQQDHGJEQDC-LSDHHAIUSA-N 1 0 264.438 2.384 10 0 CEAERO COCCN(CC(C)C)[C@H](C[NH2+]C1CC1)C(C)C ZINC000052508359 523681179 /nfs/dbraw/zinc/68/11/79/523681179.db2.gz CPOSSFHQYUBUQO-OAHLLOKOSA-N 1 0 256.434 2.367 10 0 CEAERO CC[C@@]1(C)CN[C@@H](C(C)C)C[N@@H+]1CCCn1ccnc1 ZINC000068704154 523719818 /nfs/dbraw/zinc/71/98/18/523719818.db2.gz DACZJJZJBHEDDS-CVEARBPZSA-N 1 0 278.444 2.372 10 0 CEAERO COCCN([C@H](C)C[NH2+]CC(C)C)[C@@H](C)C1CC1 ZINC000052545287 523781653 /nfs/dbraw/zinc/78/16/53/523781653.db2.gz FDNFRTSKFOKIFJ-KGLIPLIRSA-N 1 0 256.434 2.367 10 0 CEAERO CCc1cc(N)c2c(cc(OC)c(OC)c2OC)[nH+]1 ZINC000050870622 523790330 /nfs/dbraw/zinc/79/03/30/523790330.db2.gz VUUFMQFRUPLAJU-UHFFFAOYSA-N 1 0 262.309 2.405 10 0 CEAERO COc1ccc(C(C)=O)cc1CN1CCC[C@H]1C[NH+](C)C ZINC000061645749 523792148 /nfs/dbraw/zinc/79/21/48/523792148.db2.gz HNWMCJPLGZPLLR-INIZCTEOSA-N 1 0 290.407 2.424 10 0 CEAERO C[N@@H+]1CCCC[C@H]1CNc1nc(Cl)nc(Cl)n1 ZINC000061518977 523799697 /nfs/dbraw/zinc/79/96/97/523799697.db2.gz UYBQRBGTNOXBCY-ZETCQYMHSA-N 1 0 276.171 2.075 10 0 CEAERO COC(=O)[C@@](C)(C[C@H](C)[NH+]1CCCCCC1)NC1CC1 ZINC000068619700 523817571 /nfs/dbraw/zinc/81/75/71/523817571.db2.gz SGHPBZWKMZTMJU-XJKSGUPXSA-N 1 0 282.428 2.325 10 0 CEAERO COCCN1CCCC[C@H]([NH3+])[C@@H]1c1ccc(F)cc1F ZINC000070301914 523818661 /nfs/dbraw/zinc/81/86/61/523818661.db2.gz OVQFFHVZTHFLPU-GJZGRUSLSA-N 1 0 284.350 2.466 10 0 CEAERO COC(=O)[C@@](C[N@H+](C)CC(C)(C)C)(NC1CC1)C1CC1 ZINC000069132495 523821892 /nfs/dbraw/zinc/82/18/92/523821892.db2.gz GBXDOZQIDJDTKF-INIZCTEOSA-N 1 0 282.428 2.038 10 0 CEAERO COC(=O)[C@H](C)Oc1cccc(C[NH2+]C(C)C)c1 ZINC000049850767 523887228 /nfs/dbraw/zinc/88/72/28/523887228.db2.gz PRCLGKJWOHACCF-NSHDSACASA-N 1 0 251.326 2.125 10 0 CEAERO CCc1ccc(C(=O)N2[C@H](C)C[NH2+]C[C@H]2C)s1 ZINC000069133140 523888946 /nfs/dbraw/zinc/88/89/46/523888946.db2.gz UGDAJJJPQFFDKB-NXEZZACHSA-N 1 0 252.383 2.133 10 0 CEAERO CCc1ccc(C(=O)[C@@H](C)N2CCC([NH3+])CC2)cc1 ZINC000050158360 523897590 /nfs/dbraw/zinc/89/75/90/523897590.db2.gz QVSTXQWRQVZGQK-GFCCVEGCSA-N 1 0 260.381 2.243 10 0 CEAERO CC[C@H](C)N(CCOC)Cc1csc(C[NH2+]C)n1 ZINC000052547166 523938827 /nfs/dbraw/zinc/93/88/27/523938827.db2.gz GUVXGPHZCVFRLS-NSHDSACASA-N 1 0 271.430 2.109 10 0 CEAERO COCC[NH2+]C[C@@H](C)c1c(C)nc(CSC)nc1C ZINC000054855169 523940854 /nfs/dbraw/zinc/94/08/54/523940854.db2.gz YITKJYHLTQWYEZ-SNVBAGLBSA-N 1 0 283.441 2.296 10 0 CEAERO COCC[NH2+]C[C@H]1C[C@]1(C)c1ccc2c(c1)OCCCO2 ZINC000054599013 523944288 /nfs/dbraw/zinc/94/42/88/523944288.db2.gz ZDNZYHLBESZKTB-RHSMWYFYSA-N 1 0 291.391 2.362 10 0 CEAERO COCC[NH2+]C[C@H]1C[C@H]1c1ccc(OC)c(OC)c1OC ZINC000054598596 523944458 /nfs/dbraw/zinc/94/44/58/523944458.db2.gz HDRWTOKBLBOVTC-DGCLKSJQSA-N 1 0 295.379 2.052 10 0 CEAERO COCC[NH2+]Cc1c(N2CCC[C@H]2C)nc2sccn12 ZINC000062736498 523948428 /nfs/dbraw/zinc/94/84/28/523948428.db2.gz WTZXXHZIODLVEI-LLVKDONJSA-N 1 0 294.424 2.121 10 0 CEAERO CC[C@H](C)[NH+]1CCN(Cc2cccnc2NC)CC1 ZINC000055071207 523957125 /nfs/dbraw/zinc/95/71/25/523957125.db2.gz XQRRUKUGTKBNII-ZDUSSCGKSA-N 1 0 262.401 2.039 10 0 CEAERO C[N@@H+]1CC[C@H](CNc2cccc(Cl)c2C(N)=S)C1 ZINC000052905339 523982369 /nfs/dbraw/zinc/98/23/69/523982369.db2.gz WMDNFDJDFGRIAO-SECBINFHSA-N 1 0 283.828 2.338 10 0 CEAERO COC(=O)[C@](C)(C[C@@H](C)[NH+]1CCCCC1)NC(C)C ZINC000068620293 524000407 /nfs/dbraw/zinc/00/04/07/524000407.db2.gz SFTAQPRJJARDDM-HIFRSBDPSA-N 1 0 270.417 2.181 10 0 CEAERO CC[C@H](C)[NH2+]C1(C(N)=O)C2CC3CC(C2)CC1C3 ZINC000055026589 524002890 /nfs/dbraw/zinc/00/28/90/524002890.db2.gz CKGXXWTUHBKEHP-HQODWTRASA-N 1 0 250.386 2.055 10 0 CEAERO COc1ccc(C[NH3+])cc1COc1ccc2c(c1)OCO2 ZINC000050125930 524016836 /nfs/dbraw/zinc/01/68/36/524016836.db2.gz ZZQHHWRROZVORP-UHFFFAOYSA-N 1 0 287.315 2.462 10 0 CEAERO COCCOCc1cc(C)c(C[NH2+]CC(C)C)o1 ZINC000052628378 524027749 /nfs/dbraw/zinc/02/77/49/524027749.db2.gz ILUQCEVEEZRBAC-UHFFFAOYSA-N 1 0 255.358 2.497 10 0 CEAERO CN1c2ccc([C@H]([NH3+])[C@H]3CCCOC3)cc2CCC1=O ZINC000062806415 524032881 /nfs/dbraw/zinc/03/28/81/524032881.db2.gz ZYYMMVNWIJSDRO-BBRMVZONSA-N 1 0 274.364 2.022 10 0 CEAERO COc1ccc(CN2[C@@H](C)C[NH2+]C[C@@H]2C)cc1F ZINC000069134287 524043622 /nfs/dbraw/zinc/04/36/22/524043622.db2.gz HCWDIWLDNUKAEH-QWRGUYRKSA-N 1 0 252.333 2.017 10 0 CEAERO COCCOc1ccc(NC(=O)[C@@H]2CCC[C@@H](C)[NH2+]2)cc1 ZINC000066146436 524048828 /nfs/dbraw/zinc/04/88/28/524048828.db2.gz MTMSAUJWOGEYGG-DOMZBBRYSA-N 1 0 292.379 2.181 10 0 CEAERO COCCOc1ccc(OC)cc1C[NH2+]CC(C)C ZINC000062727595 524050955 /nfs/dbraw/zinc/05/09/55/524050955.db2.gz SKNVZLAKXMHIDT-UHFFFAOYSA-N 1 0 267.369 2.466 10 0 CEAERO CNC(=O)CCCOc1ccc2c(c1)OC(C)(C)C[C@@H]2[NH3+] ZINC000068816613 524065491 /nfs/dbraw/zinc/06/54/91/524065491.db2.gz YUVATMCMDPLVJL-ZDUSSCGKSA-N 1 0 292.379 2.153 10 0 CEAERO COc1ccc(C[NH2+]C(C)(C)C)cc1OC[C@H](C)O ZINC000062732451 524068669 /nfs/dbraw/zinc/06/86/69/524068669.db2.gz IROORVAVNNOXDW-NSHDSACASA-N 1 0 267.369 2.343 10 0 CEAERO Cc1ccc(C)c(CC(=O)N[C@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000053142045 524094140 /nfs/dbraw/zinc/09/41/40/524094140.db2.gz CRSXCUNXCBTDGX-UAGQMJEPSA-N 1 0 286.419 2.350 10 0 CEAERO C[C@@H]1CCCC[N@@H+]1CCCNc1ccnc(C(N)=S)c1 ZINC000061812038 524106150 /nfs/dbraw/zinc/10/61/50/524106150.db2.gz MZTCZIMEYFQHPH-GFCCVEGCSA-N 1 0 292.452 2.392 10 0 CEAERO C[C@H](CCC(=O)[O-])[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000050956749 524120396 /nfs/dbraw/zinc/12/03/96/524120396.db2.gz HHSGVECSVKEOIU-CYBMUJFWSA-N 1 0 268.401 2.190 10 0 CEAERO Cc1ccc(C)c(NC(=O)C[N@@H+]2CCC[C@H]2CCCO)c1 ZINC000052762118 524133952 /nfs/dbraw/zinc/13/39/52/524133952.db2.gz MSSBDVYWHZQQMY-HNNXBMFYSA-N 1 0 290.407 2.479 10 0 CEAERO COc1ccc(C[C@@H](C)[NH3+])cc1OC1CCOCC1 ZINC000069310680 524136534 /nfs/dbraw/zinc/13/65/34/524136534.db2.gz JFWMYEFDNSCEFK-LLVKDONJSA-N 1 0 265.353 2.143 10 0 CEAERO C[C@H](CC[NH+](C)C)NCc1nnc(-c2ccccc2)o1 ZINC000050601906 524164136 /nfs/dbraw/zinc/16/41/36/524164136.db2.gz DRTPUNQMRGFPSV-GFCCVEGCSA-N 1 0 274.368 2.166 10 0 CEAERO C[C@H](CC[NH+](C)C)Nc1cc2ccccc2c(=O)[nH]1 ZINC000049558504 524169717 /nfs/dbraw/zinc/16/97/17/524169717.db2.gz KUKPDAFKQQAVHI-LLVKDONJSA-N 1 0 259.353 2.280 10 0 CEAERO Cc1cccc(C(=O)N2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000051358393 524176282 /nfs/dbraw/zinc/17/62/82/524176282.db2.gz ATVOADIWOXJWTQ-CABCVRRESA-N 1 0 258.365 2.352 10 0 CEAERO C[C@H](CC[NH2+]C(C)(C)C)N(C)Cc1cnn(C)c1 ZINC000052570470 524191774 /nfs/dbraw/zinc/19/17/74/524191774.db2.gz PRUQSIOQFIHRLQ-GFCCVEGCSA-N 1 0 252.406 2.019 10 0 CEAERO C[C@H]1CCC[C@H](C[NH3+])N1Cc1nnc(-c2cccs2)o1 ZINC000070155933 524195211 /nfs/dbraw/zinc/19/52/11/524195211.db2.gz SMZRRHHHIRIXLN-WDEREUQCSA-N 1 0 292.408 2.500 10 0 CEAERO Cc1cccc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1O ZINC000049560327 524206040 /nfs/dbraw/zinc/20/60/40/524206040.db2.gz ZXCDYJQLYUTVHC-ZDUSSCGKSA-N 1 0 278.396 2.407 10 0 CEAERO C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1ccncn1 ZINC000054789507 524234593 /nfs/dbraw/zinc/23/45/93/524234593.db2.gz RMPWPRNQGONOSH-GFCCVEGCSA-N 1 0 257.337 2.293 10 0 CEAERO COc1ccc(Cn2ccnc2C[NH3+])cc1Br ZINC000051004021 524262079 /nfs/dbraw/zinc/26/20/79/524262079.db2.gz QZYPOJRFJDTXHR-UHFFFAOYSA-N 1 0 296.168 2.161 10 0 CEAERO C[C@@H]1CCC[NH2+][C@H]1C(=O)Nc1c(F)cccc1F ZINC000051792415 524263383 /nfs/dbraw/zinc/26/33/83/524263383.db2.gz BEAJQPVZDNBUSX-LDYMZIIASA-N 1 0 254.280 2.291 10 0 CEAERO C[C@H](CN1CCCCC1)[NH2+]C[C@H](O)c1cccs1 ZINC000049501239 524333107 /nfs/dbraw/zinc/33/31/07/524333107.db2.gz NAPWEDRDPRYGCA-OLZOCXBDSA-N 1 0 268.426 2.246 10 0 CEAERO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCCS(=O)(=O)C2)c(C)n1 ZINC000069140759 524336294 /nfs/dbraw/zinc/33/62/94/524336294.db2.gz BWTXHTKPAVSBOG-UONOGXRCSA-N 1 0 296.436 2.235 10 0 CEAERO Cc1ccc(CN(C(=O)CC[C@@H](C)[NH3+])C2CC2)o1 ZINC000070316746 524352387 /nfs/dbraw/zinc/35/23/87/524352387.db2.gz HKPUFAKDHOBGSZ-SNVBAGLBSA-N 1 0 250.342 2.206 10 0 CEAERO C[C@H]1CC[C@H](CN2C(=O)CC3(CCCCC3)CC2=O)C[NH2+]1 ZINC000062037619 524406190 /nfs/dbraw/zinc/40/61/90/524406190.db2.gz HPEHTRPUYRCONB-KBPBESRZSA-N 1 0 292.423 2.474 10 0 CEAERO Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@H]2CC[C@@H](C)O2)o1 ZINC000151040968 524407447 /nfs/dbraw/zinc/40/74/47/524407447.db2.gz QWEVEFLSEOLEEZ-UKRRQHHQSA-N 1 0 294.395 2.046 10 0 CEAERO C[C@H]1CC[C@H](CNC(=O)c2cc(F)cc(F)c2)C[NH2+]1 ZINC000062036837 524408808 /nfs/dbraw/zinc/40/88/08/524408808.db2.gz SCIICTKZYRWRBT-UWVGGRQHSA-N 1 0 268.307 2.083 10 0 CEAERO C[C@@H]1CCC[C@](C[NH2+]CCCCCO)(N(C)C)C1 ZINC000051021032 524430401 /nfs/dbraw/zinc/43/04/01/524430401.db2.gz WCTWMJJYHABZQK-CABCVRRESA-N 1 0 256.434 2.249 10 0 CEAERO COc1ccccc1CN(C)C(=O)[C@@H]1[NH2+]CCC[C@H]1C ZINC000051793386 524432176 /nfs/dbraw/zinc/43/21/76/524432176.db2.gz VDUMOHGUVNRVKR-IUODEOHRSA-N 1 0 276.380 2.042 10 0 CEAERO Cc1cc(C)cc(S(=O)(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000070173719 524456331 /nfs/dbraw/zinc/45/63/31/524456331.db2.gz FFUQBPSVFQCPPI-KGLIPLIRSA-N 1 0 296.436 2.051 10 0 CEAERO COc1ccccc1C[C@@H](C)[NH2+]Cc1[nH]cnc1C ZINC000054796715 524499506 /nfs/dbraw/zinc/49/95/06/524499506.db2.gz IMZBWJWPAVPQSG-LLVKDONJSA-N 1 0 259.353 2.448 10 0 CEAERO Cc1ccc(CNC(=O)CC[C@H]2CCCC[NH2+]2)o1 ZINC000053038591 524500137 /nfs/dbraw/zinc/50/01/37/524500137.db2.gz UBHXNIFTFNXMND-GFCCVEGCSA-N 1 0 250.342 2.127 10 0 CEAERO COc1ccccc1C[C@H](C)[NH2+]Cc1cnccn1 ZINC000054766510 524511346 /nfs/dbraw/zinc/51/13/46/524511346.db2.gz YIZKONAKMRKIRD-LBPRGKRZSA-N 1 0 257.337 2.206 10 0 CEAERO COc1ccc(NC(=O)C[C@@H]2CCC[NH2+]C2)cc1OC ZINC000054290104 524519159 /nfs/dbraw/zinc/51/91/59/524519159.db2.gz XNBHDRICJCOYJL-NSHDSACASA-N 1 0 278.352 2.032 10 0 CEAERO Cc1cccc(N(C)Cc2ccnc(C(N)=[NH2+])c2)c1 ZINC000068761786 524519634 /nfs/dbraw/zinc/51/96/34/524519634.db2.gz HAMVUIOUWXCCTE-UHFFFAOYSA-N 1 0 254.337 2.310 10 0 CEAERO C[C@@H]1CCN(c2cc(C(N)=[NH2+])c3ccccc3n2)C1 ZINC000068797828 524522615 /nfs/dbraw/zinc/52/26/15/524522615.db2.gz VJIVNJPDFDNTJI-SNVBAGLBSA-N 1 0 254.337 2.365 10 0 CEAERO Cc1cc(C)nc(N2CCC[C@H](C[NH2+]C(C)C)C2)n1 ZINC000053701918 524580333 /nfs/dbraw/zinc/58/03/33/524580333.db2.gz JHHUMKJSBAGXLO-CQSZACIVSA-N 1 0 262.401 2.308 10 0 CEAERO C[C@@H]1CC[C@@H](C[NH3+])CN1C(=O)c1ccc2[nH]ccc2c1 ZINC000070179834 524590290 /nfs/dbraw/zinc/59/02/90/524590290.db2.gz OZBPYQKHXQNRNC-NEPJUHHUSA-N 1 0 271.364 2.367 10 0 CEAERO C[C@@H](C[NH+]1CCCC1)NC(=O)c1cccc2c1CCCN2 ZINC000061412278 524592882 /nfs/dbraw/zinc/59/28/82/524592882.db2.gz FERYHCGRQXSDAH-ZDUSSCGKSA-N 1 0 287.407 2.259 10 0 CEAERO COc1ccc(NC(=O)[C@@H]2CCC[C@@H](C)[NH2+]2)cc1C ZINC000049532366 524596448 /nfs/dbraw/zinc/59/64/48/524596448.db2.gz RUSFGFORVYECAM-YPMHNXCESA-N 1 0 262.353 2.473 10 0 CEAERO C[C@H]1CN(CCn2cccn2)[C@@](C)(c2ccccc2)C[NH2+]1 ZINC000068699137 524604722 /nfs/dbraw/zinc/60/47/22/524604722.db2.gz IHJKCFFUPIYNAX-DOTOQJQBSA-N 1 0 284.407 2.092 10 0 CEAERO C[C@H]1CN(Cc2ccc(C[NH2+]C(C)(C)C)o2)CCO1 ZINC000052382396 524618710 /nfs/dbraw/zinc/61/87/10/524618710.db2.gz RHUVIALSWDNMEH-LBPRGKRZSA-N 1 0 266.385 2.388 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C)N1Cc1cc(-c2ccco2)on1 ZINC000069134296 524700228 /nfs/dbraw/zinc/70/02/28/524700228.db2.gz RCEWFQICGXHCBJ-QWRGUYRKSA-N 1 0 261.325 2.117 10 0 CEAERO C[C@@H]1CC[C@H](NS(=O)(=O)c2ccccc2C[NH3+])C[C@@H]1C ZINC000068583033 524703523 /nfs/dbraw/zinc/70/35/23/524703523.db2.gz VHXHFCUCOPBEOL-DYEKYZERSA-N 1 0 296.436 2.248 10 0 CEAERO C[C@@H](C[NH2+]C1CC1)Cn1cc(Br)cn1 ZINC000052577690 524736090 /nfs/dbraw/zinc/73/60/90/524736090.db2.gz HPGIYZXBEWOFHT-QMMMGPOBSA-N 1 0 258.163 2.034 10 0 CEAERO C[C@H](Cc1ccco1)[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC000062771620 524746132 /nfs/dbraw/zinc/74/61/32/524746132.db2.gz XIGPIAQSRHNVGK-GFCCVEGCSA-N 1 0 276.380 2.201 10 0 CEAERO Cc1cccc(SC[C@]([NH2+]C2CC2)(C(N)=O)C2CC2)c1 ZINC000069188611 524811202 /nfs/dbraw/zinc/81/12/02/524811202.db2.gz QSFZOPPCCOULFE-MRXNPFEDSA-N 1 0 290.432 2.473 10 0 CEAERO Cc1cc(C[C@@H](C)[NH3+])nc(Cc2cccc(F)c2)n1 ZINC000054835518 524819352 /nfs/dbraw/zinc/81/93/52/524819352.db2.gz HHSKGZHOHUGTJS-SNVBAGLBSA-N 1 0 259.328 2.405 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1ccncc1)N1Cc2ccccc2C1 ZINC000050910442 524838244 /nfs/dbraw/zinc/83/82/44/524838244.db2.gz DMNPNOLZANGUGG-LRDDRELGSA-N 1 0 253.349 2.486 10 0 CEAERO C[C@H]([NH3+])[C@@](O)(c1cc(F)ccc1F)C(F)(F)F ZINC000062784615 524846699 /nfs/dbraw/zinc/84/66/99/524846699.db2.gz DOWMMUVALXMRSD-SSDLBLMSSA-N 1 0 255.186 2.062 10 0 CEAERO C[C@@H](C[C@@](C)([NH3+])C(N)=O)Oc1cccc2ccccc21 ZINC000068656744 524852593 /nfs/dbraw/zinc/85/25/93/524852593.db2.gz GUCFMVHHABOMAN-MEDUHNTESA-N 1 0 272.348 2.200 10 0 CEAERO C[C@H]([NH3+])[C@](O)(c1ccc(F)c(F)c1)C(F)(F)F ZINC000062784727 524861954 /nfs/dbraw/zinc/86/19/54/524861954.db2.gz ZZZKXTFESXLJRO-CDUCUWFYSA-N 1 0 255.186 2.062 10 0 CEAERO C[C@@H](C[C@](C)([NH2+]C1CC1)C(N)=O)O[C@@H]1CCC[C@@H](C)C1 ZINC000068652744 524862905 /nfs/dbraw/zinc/86/29/05/524862905.db2.gz URYZTKQHQGWXAF-FIRUKDTASA-N 1 0 282.428 2.356 10 0 CEAERO Cc1cccc([C@H](C)[NH2+][C@@H]2CCCS(=O)(=O)C2)c1 ZINC000069140681 524874833 /nfs/dbraw/zinc/87/48/33/524874833.db2.gz QOWHXRCMOXUBCR-GXTWGEPZSA-N 1 0 267.394 2.223 10 0 CEAERO COc1csc(C(=O)NC[C@@H]([NH3+])c2ccccc2)c1 ZINC000161682659 524950136 /nfs/dbraw/zinc/95/01/36/524950136.db2.gz HVNDCWSIWMVYNQ-GFCCVEGCSA-N 1 0 276.361 2.187 10 0 CEAERO COc1ccc(OC[C@H]2CCOC2)c(C[C@@H](C)[NH3+])c1 ZINC000049689849 524973085 /nfs/dbraw/zinc/97/30/85/524973085.db2.gz LYQXFALHPQGLJJ-NEPJUHHUSA-N 1 0 265.353 2.000 10 0 CEAERO COc1ccc(O[C@H](C)C[C@@](C)([NH2+]C(C)C)C(N)=O)cc1 ZINC000068656836 524989336 /nfs/dbraw/zinc/98/93/36/524989336.db2.gz JZQZGVMBSXTVAO-MLGOLLRUSA-N 1 0 294.395 2.095 10 0 CEAERO C[C@@H]([NH3+])C(=O)Nc1cc(Br)ccc1Cl ZINC000061692448 524989589 /nfs/dbraw/zinc/98/95/89/524989589.db2.gz XPDDVUHELJYITP-RXMQYKEDSA-N 1 0 277.549 2.388 10 0 CEAERO C[C@@H]([NH3+])Cc1noc(-c2ccc3ncccc3c2)n1 ZINC000061418942 525002476 /nfs/dbraw/zinc/00/24/76/525002476.db2.gz XUVKVLMOWHZGDD-SECBINFHSA-N 1 0 254.293 2.175 10 0 CEAERO C[C@@H]([NH3+])Cc1noc(-c2ccc3ccccc3n2)n1 ZINC000054161310 525002539 /nfs/dbraw/zinc/00/25/39/525002539.db2.gz YCFIGSZDSQHGQU-SECBINFHSA-N 1 0 254.293 2.175 10 0 CEAERO C[C@@H]([NH3+])[C@@H](Sc1nnc2ccccn21)C(F)(F)F ZINC000061406527 525006452 /nfs/dbraw/zinc/00/64/52/525006452.db2.gz LTUZZSYYCMGTDK-HTRCEHHLSA-N 1 0 276.287 2.100 10 0 CEAERO C[C@@H](N)[C@H](c1cccs1)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757508 525018029 /nfs/dbraw/zinc/01/80/29/525018029.db2.gz IZWHFTXTYRQDBI-YRGRVCCFSA-N 1 0 268.426 2.373 10 0 CEAERO C[C@@H]1CN(Cc2cn3ccccc3n2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000068699498 525022733 /nfs/dbraw/zinc/02/27/33/525022733.db2.gz GPRLIBKTMJKWQR-CXAGYDPISA-N 1 0 284.407 2.297 10 0 CEAERO C[C@@H]([NH3+])[C@](O)(c1ccc(F)c(F)c1F)C(F)(F)F ZINC000062784776 525023561 /nfs/dbraw/zinc/02/35/61/525023561.db2.gz YESHPFDKCCHYAN-MOFOKWOHSA-N 1 0 273.176 2.201 10 0 CEAERO C[C@@H]1CN([C@@H](C[NH3+])c2cc(F)c(F)c(F)c2)CCCO1 ZINC000062711795 525055322 /nfs/dbraw/zinc/05/53/22/525055322.db2.gz XOHPQLSAPSVKMS-RNCFNFMXSA-N 1 0 288.313 2.215 10 0 CEAERO Cc1ccc(NC(=O)CN[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000049180359 525063049 /nfs/dbraw/zinc/06/30/49/525063049.db2.gz OFINCFDVKPXMNL-AWEZNQCLSA-N 1 0 275.396 2.007 10 0 CEAERO Cc1ccccc1CC(=O)N1[C@H](C)CCC[C@@H]1C[NH3+] ZINC000070152286 525096152 /nfs/dbraw/zinc/09/61/52/525096152.db2.gz YRGOTCYDYGCJON-UKRRQHHQSA-N 1 0 260.381 2.266 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C)N1Cc1ncc(C(C)(C)C)o1 ZINC000069134615 525100089 /nfs/dbraw/zinc/10/00/89/525100089.db2.gz OVISAGCMXVJQGB-GHMZBOCLSA-N 1 0 251.374 2.154 10 0 CEAERO COc1ccc([C@@H](C)C(=O)NCC[NH2+]C(C)(C)C)cc1 ZINC000153828141 525117197 /nfs/dbraw/zinc/11/71/97/525117197.db2.gz WSEUHJFTWFVIKF-GFCCVEGCSA-N 1 0 278.396 2.303 10 0 CEAERO C[C@@H]1COCCN1Cc1ccc(C[NH2+]C2CC2)cc1 ZINC000052476047 525126607 /nfs/dbraw/zinc/12/66/07/525126607.db2.gz ATYGUMCMUUXVBH-CYBMUJFWSA-N 1 0 260.381 2.159 10 0 CEAERO C[C@H]1c2ccsc2CCN1C(=O)c1ccc(NN)[nH+]c1 ZINC000051094666 525132326 /nfs/dbraw/zinc/13/23/26/525132326.db2.gz YBIKQQWRPIAICF-VIFPVBQESA-N 1 0 288.376 2.188 10 0 CEAERO Cc1ccccc1CNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000052882004 525160743 /nfs/dbraw/zinc/16/07/43/525160743.db2.gz LDCKUIWXTLAOFF-KRWDZBQOSA-N 1 0 268.360 2.485 10 0 CEAERO C[C@@H]1CSCC[N@@H+]1CCC(=O)Nc1ccc(F)cc1N ZINC000070219010 525171725 /nfs/dbraw/zinc/17/17/25/525171725.db2.gz ZAEOKFXJELPLRD-SNVBAGLBSA-N 1 0 297.399 2.174 10 0 CEAERO CS(=O)(=O)[C@H](c1ccccc1)[C@@H]([NH3+])Cc1ccccc1 ZINC000054930072 525235728 /nfs/dbraw/zinc/23/57/28/525235728.db2.gz HNQWEKPDGGIRND-JKSUJKDBSA-N 1 0 289.400 2.342 10 0 CEAERO C[C@]1(C2CC2)CN(CCc2cccs2)CC[NH2+]1 ZINC000068694059 525236895 /nfs/dbraw/zinc/23/68/95/525236895.db2.gz PFFUFEMLAHZNFY-CQSZACIVSA-N 1 0 250.411 2.365 10 0 CEAERO CS(=O)(=O)c1ccc(SC[C@@H]2CCC[NH2+]C2)cc1 ZINC000063131758 525265548 /nfs/dbraw/zinc/26/55/48/525265548.db2.gz KTEZQIIRRHGVMW-LLVKDONJSA-N 1 0 285.434 2.182 10 0 CEAERO CS(=O)(=O)c1cccc(OCCC[C@H]2CCC[NH2+]2)c1 ZINC000052765147 525272055 /nfs/dbraw/zinc/27/20/55/525272055.db2.gz DBXHNFGUUXXHAE-GFCCVEGCSA-N 1 0 283.393 2.001 10 0 CEAERO Cc1cc(NC[C@H]2CCC[N@@H+](C)C2)nc(Cl)n1 ZINC000052814874 525274290 /nfs/dbraw/zinc/27/42/90/525274290.db2.gz NKGGWEYIDPEBJI-SNVBAGLBSA-N 1 0 254.765 2.192 10 0 CEAERO COc1ccc([C@H](C)N2C[C@H](C)[NH2+][C@@H](C)C2)cc1OC ZINC000070075490 525302394 /nfs/dbraw/zinc/30/23/94/525302394.db2.gz OJSIMCBKJZXQAR-AVGNSLFASA-N 1 0 278.396 2.447 10 0 CEAERO C[C@]1(c2ccccc2)CN(Cc2ccncc2)CC[NH2+]1 ZINC000068693746 525332496 /nfs/dbraw/zinc/33/24/96/525332496.db2.gz UVKRHAGWZGFUTA-QGZVFWFLSA-N 1 0 267.376 2.402 10 0 CEAERO COc1ccc([C@H]([C@@H](C)[NH3+])N2CCC[C@@H]2CCCO)cc1 ZINC000052757148 525380318 /nfs/dbraw/zinc/38/03/18/525380318.db2.gz DSXXHKQDBDWDAO-UNEWFSDZSA-N 1 0 292.423 2.320 10 0 CEAERO COc1ccc([C@](O)(C[NH2+]C2CC2)C2CC2)cc1C ZINC000049849422 525444935 /nfs/dbraw/zinc/44/49/35/525444935.db2.gz RRQKFJKMMIQXFL-INIZCTEOSA-N 1 0 261.365 2.353 10 0 CEAERO C[C@@H]1C[C@H]1[NH2+]CC(=O)Nc1cccc(Br)c1 ZINC000052287812 525497085 /nfs/dbraw/zinc/49/70/85/525497085.db2.gz GNJFQJGUXBUDNU-LDYMZIIASA-N 1 0 283.169 2.386 10 0 CEAERO CSCCNC(=O)Nc1cccc([C@H](C)[NH3+])c1 ZINC000069463030 525506997 /nfs/dbraw/zinc/50/69/97/525506997.db2.gz ZOXMKZPYQLBBDJ-VIFPVBQESA-N 1 0 253.371 2.191 10 0 CEAERO CSCC[NH2+]C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000069442198 525508707 /nfs/dbraw/zinc/50/87/07/525508707.db2.gz JHXTYAGAAXINEE-CYBMUJFWSA-N 1 0 289.828 2.170 10 0 CEAERO C[C@@H]1Cc2ccccc2N1CC[NH2+]C[C@@H]1CCCO1 ZINC000053345206 525534305 /nfs/dbraw/zinc/53/43/05/525534305.db2.gz HMOCDRHBEIUIAA-HIFRSBDPSA-N 1 0 260.381 2.206 10 0 CEAERO C[C@@H]1Cc2ccccc2N1c1ccnc(C(N)=[NH2+])c1 ZINC000061813998 525536418 /nfs/dbraw/zinc/53/64/18/525536418.db2.gz LOPAYDVJPCJULH-SNVBAGLBSA-N 1 0 252.321 2.448 10 0 CEAERO CSCC[C@H](C)N(C)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000157130528 525561094 /nfs/dbraw/zinc/56/10/94/525561094.db2.gz KQGLFJRUAZBEHW-TUAOUCFPSA-N 1 0 258.431 2.104 10 0 CEAERO CSC[C@@H](C)C[NH2+]C[C@@H](O)COCc1ccccc1 ZINC000069447337 525621731 /nfs/dbraw/zinc/62/17/31/525621731.db2.gz LCXRUSQWHZBUNU-DZGCQCFKSA-N 1 0 283.437 2.153 10 0 CEAERO CSC[C@H](C)C[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000069447709 525681482 /nfs/dbraw/zinc/68/14/82/525681482.db2.gz MQMRFQGUNCGSAV-ZWNOBZJWSA-N 1 0 257.374 2.448 10 0 CEAERO Cc1cc2ncn(Cc3ccnc(C(N)=[NH2+])c3)c2cc1C ZINC000068762094 525685914 /nfs/dbraw/zinc/68/59/14/525685914.db2.gz NKIZDUCZOUIBEP-UHFFFAOYSA-N 1 0 279.347 2.381 10 0 CEAERO Cc1ccc([C@@H](C)[NH3+])c(OC[C@H](O)COC(C)C)c1 ZINC000070099633 525689357 /nfs/dbraw/zinc/68/93/57/525689357.db2.gz USSRDCXASCYUCZ-CHWSQXEVSA-N 1 0 267.369 2.179 10 0 CEAERO Cc1cc2nnc([C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)n2cn1 ZINC000050194583 525691104 /nfs/dbraw/zinc/69/11/04/525691104.db2.gz ZDNVSGLLHGKYFE-SRVKXCTJSA-N 1 0 257.341 2.026 10 0 CEAERO Cc1ccnc(S[C@@H](CC[NH3+])C(F)(F)F)n1 ZINC000051331856 525709786 /nfs/dbraw/zinc/70/97/86/525709786.db2.gz GVBCYQDPPVFQDB-ZETCQYMHSA-N 1 0 251.277 2.157 10 0 CEAERO C[C@@]([NH3+])(C(=O)NCc1ccc(F)c(F)c1)c1ccccc1 ZINC000052882916 525745583 /nfs/dbraw/zinc/74/55/83/525745583.db2.gz FIXGXBQIUQERLG-INIZCTEOSA-N 1 0 290.313 2.455 10 0 CEAERO Cc1c(Cl)cccc1NS(=O)(=O)CC[NH2+]C(C)C ZINC000049640663 525778942 /nfs/dbraw/zinc/77/89/42/525778942.db2.gz XRFGQGCAOQBHHQ-UHFFFAOYSA-N 1 0 290.816 2.388 10 0 CEAERO Cc1ccc([C@@H](Sc2ncnc3[nH]cnc32)[C@H](C)[NH3+])o1 ZINC000051036181 525785571 /nfs/dbraw/zinc/78/55/71/525785571.db2.gz MCOMHUWGYCSWIM-KWQFWETISA-N 1 0 289.364 2.435 10 0 CEAERO C[C@@]1(C(=O)Nc2ccccc2N2CCCC2)CC[NH2+]C1 ZINC000062892179 525812451 /nfs/dbraw/zinc/81/24/51/525812451.db2.gz TYNGUWDTFQBPTB-MRXNPFEDSA-N 1 0 273.380 2.225 10 0 CEAERO C[C@@H](O)c1ccc(NC(=O)N[C@@H](C)CC[NH+](C)C)cc1 ZINC000049562069 525868927 /nfs/dbraw/zinc/86/89/27/525868927.db2.gz PIFPBMUONMGCPK-NWDGAFQWSA-N 1 0 279.384 2.202 10 0 CEAERO C[C@H](OC1CCC([NH3+])CC1)C(=O)N1CCCCCC1 ZINC000055142934 525894606 /nfs/dbraw/zinc/89/46/06/525894606.db2.gz VDSPXDSAUAWVQC-HSBZDZAISA-N 1 0 268.401 2.064 10 0 CEAERO C[C@@H](Oc1cccc2c1CC[C@@H]2[NH3+])C(=O)N1CCCC1 ZINC000062798671 525947605 /nfs/dbraw/zinc/94/76/05/525947605.db2.gz QNWIPCRSFUARFZ-RISCZKNCSA-N 1 0 274.364 2.022 10 0 CEAERO Cc1ccc(=O)n(C[C@H]([NH3+])c2ccc3ccccc3c2)n1 ZINC000061810450 525978477 /nfs/dbraw/zinc/97/84/77/525978477.db2.gz SUAUTJYLYYKOJF-INIZCTEOSA-N 1 0 279.343 2.405 10 0 CEAERO Cc1ccc([C@H]([C@H](C)[NH3+])N2CCC[C@@H]2CCCO)o1 ZINC000052757232 525980049 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ZINC000151315185 526210089 /nfs/dbraw/zinc/21/00/89/526210089.db2.gz QYKFFWJHFQTJSS-FUHWJXTLSA-N 1 0 288.435 2.419 10 0 CEAERO COc1cccc(OC[C@@H]2CC[C@H](C[NH2+]C3CC3)O2)c1 ZINC000052655262 526235745 /nfs/dbraw/zinc/23/57/45/526235745.db2.gz SZZIECHDBJBTBD-CVEARBPZSA-N 1 0 277.364 2.374 10 0 CEAERO Cc1ccc2n1CCN(C(=O)[C@]1(C)CCC[NH2+]C1)[C@H]2C ZINC000062856389 526239783 /nfs/dbraw/zinc/23/97/83/526239783.db2.gz KAXYOZNLSJUPMS-XJKSGUPXSA-N 1 0 275.396 2.089 10 0 CEAERO C[C@@H](C(=O)N(C)C1C2CC3CC(C2)CC1C3)C1C[NH2+]C1 ZINC000164214843 526239871 /nfs/dbraw/zinc/23/98/71/526239871.db2.gz OKHGYCKFFOTKRT-YVWFZZAJSA-N 1 0 276.424 2.125 10 0 CEAERO Cc1ccc(C(C)C)cc1O[C@H](C)C[C@](C)([NH3+])C(N)=O ZINC000068650813 526250699 /nfs/dbraw/zinc/25/06/99/526250699.db2.gz FQGUYAIDHPHGJK-WBMJQRKESA-N 1 0 278.396 2.479 10 0 CEAERO Cc1ccc(C(N)=O)c(N2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000063201524 526252283 /nfs/dbraw/zinc/25/22/83/526252283.db2.gz ALJCGFGRENWCAQ-OAHLLOKOSA-N 1 0 287.407 2.062 10 0 CEAERO C[C@H]1CCCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)[C@H]1C ZINC000050565370 526266331 /nfs/dbraw/zinc/26/63/31/526266331.db2.gz GQDLAYJLHBYHGQ-HEHGZKQESA-N 1 0 272.392 2.348 10 0 CEAERO O[C@H](C[NH2+]C(C1CC1)C1CC1)c1ccc2c(c1)OCCO2 ZINC000048667924 526274665 /nfs/dbraw/zinc/27/46/65/526274665.db2.gz LOXZHVKMCFLXJN-CQSZACIVSA-N 1 0 289.375 2.269 10 0 CEAERO O[C@H](C[NH2+]C1CC1)c1ccc(Br)s1 ZINC000049850142 526276257 /nfs/dbraw/zinc/27/62/57/526276257.db2.gz MOCPTTOYRZYXBG-SSDOTTSWSA-N 1 0 262.172 2.296 10 0 CEAERO O[C@H](C[NH2+][C@@H]1CCOc2ccccc21)C(F)(F)F ZINC000068879912 526281321 /nfs/dbraw/zinc/28/13/21/526281321.db2.gz YZBKDGLBRQAHRU-MWLCHTKSSA-N 1 0 261.243 2.023 10 0 CEAERO Fc1c(F)c(F)c(O[C@@H]2CC[NH2+]C2)c(F)c1F ZINC000051783851 526293382 /nfs/dbraw/zinc/29/33/82/526293382.db2.gz NZXDIRPFTVAKAY-SCSAIBSYSA-N 1 0 253.170 2.123 10 0 CEAERO Fc1cc(F)cc(OCC[NH2+]C[C@H]2CCCO2)c1 ZINC000054935091 526308116 /nfs/dbraw/zinc/30/81/16/526308116.db2.gz LLSSWPPJSPIHLM-GFCCVEGCSA-N 1 0 257.280 2.112 10 0 CEAERO Fc1ccc(Cc2noc(C[C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000054301360 526344974 /nfs/dbraw/zinc/34/49/74/526344974.db2.gz DYUTYJQALGSUKP-LBPRGKRZSA-N 1 0 275.327 2.342 10 0 CEAERO Oc1ccc(C[NH2+]Cc2cn[nH]c2)cc1Br ZINC000062702739 526345127 /nfs/dbraw/zinc/34/51/27/526345127.db2.gz IKEOJERJJOZIFL-UHFFFAOYSA-N 1 0 282.141 2.168 10 0 CEAERO Cc1nnc(SCC[NH2+][C@H](C)[C@@H]2CCCO2)s1 ZINC000053622893 526383686 /nfs/dbraw/zinc/38/36/86/526383686.db2.gz QIWVHFVXSWMQME-SCZZXKLOSA-N 1 0 273.427 2.096 10 0 CEAERO Cc1nnc(S[C@H](C[NH3+])c2ccccc2F)o1 ZINC000051037983 526390112 /nfs/dbraw/zinc/39/01/12/526390112.db2.gz QVVCMPWMWSKVLL-SNVBAGLBSA-N 1 0 253.302 2.309 10 0 CEAERO c1cc(-c2noc(CC[C@@H]3CCCC[NH2+]3)n2)ccn1 ZINC000050927990 526416185 /nfs/dbraw/zinc/41/61/85/526416185.db2.gz SADNWTAPWAHLDW-LBPRGKRZSA-N 1 0 258.325 2.206 10 0 CEAERO O=C(NCCc1cccc(F)c1)c1ccc2c(c1)C[NH2+]C2 ZINC000156657066 526418243 /nfs/dbraw/zinc/41/82/43/526418243.db2.gz MTGZWKHAKWZYBZ-UHFFFAOYSA-N 1 0 284.334 2.401 10 0 CEAERO O=C(CCN1CCC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000062941928 526484081 /nfs/dbraw/zinc/48/40/81/526484081.db2.gz DDXDERKZQMEXRR-MRXNPFEDSA-N 1 0 272.392 2.430 10 0 CEAERO Cc1nc(Sc2cc(C(N)=[NH2+])c3ccccc3n2)n[nH]1 ZINC000068798442 526533157 /nfs/dbraw/zinc/53/31/57/526533157.db2.gz KTFVIHPDZABWKJ-UHFFFAOYSA-N 1 0 284.348 2.097 10 0 CEAERO c1cn(CC[NH2+]C2CCOCC2)c(-c2ccccc2)n1 ZINC000062767978 526533372 /nfs/dbraw/zinc/53/33/72/526533372.db2.gz ZVZRTADSLQKQKB-UHFFFAOYSA-N 1 0 271.364 2.319 10 0 CEAERO Cc1nc(-c2ccncc2)nc(C)c1C[NH2+]C1CC1 ZINC000054854381 526618002 /nfs/dbraw/zinc/61/80/02/526618002.db2.gz NIIIHRRDZCTWTG-UHFFFAOYSA-N 1 0 254.337 2.407 10 0 CEAERO Cc1nc(-c2cnccn2)nc(C)c1C[NH2+]CC(C)C ZINC000054854527 526620364 /nfs/dbraw/zinc/62/03/64/526620364.db2.gz JCLMRRUMTSZHGH-UHFFFAOYSA-N 1 0 271.368 2.296 10 0 CEAERO Cc1nc(-c2ncccn2)nc(C)c1C[NH2+]CC(C)C ZINC000054854524 526625036 /nfs/dbraw/zinc/62/50/36/526625036.db2.gz JCUUOCAOVYPDMH-UHFFFAOYSA-N 1 0 271.368 2.296 10 0 CEAERO O=C(C[N@H+]1CCC[C@@H]1CCCO)Nc1cccc(F)c1 ZINC000052762337 526753122 /nfs/dbraw/zinc/75/31/22/526753122.db2.gz CYAQUDBCNVEFIF-CQSZACIVSA-N 1 0 280.343 2.001 10 0 CEAERO Cc1nc(C)n(Cc2cc(C)c(C[NH2+]C(C)C)o2)n1 ZINC000052574557 526764492 /nfs/dbraw/zinc/76/44/92/526764492.db2.gz VSOWLJOOVVVWTH-UHFFFAOYSA-N 1 0 262.357 2.343 10 0 CEAERO Cc1occc1CN(C)[C@@]1(C[NH3+])CCCSC1 ZINC000061590146 526826217 /nfs/dbraw/zinc/82/62/17/526826217.db2.gz BJRLVMNASAKQMI-CYBMUJFWSA-N 1 0 254.399 2.244 10 0 CEAERO NC(=O)C1CCC([NH2+]CCCOc2ccccc2)CC1 ZINC000061815718 526855210 /nfs/dbraw/zinc/85/52/10/526855210.db2.gz OFIVDZRWLFHQJQ-UHFFFAOYSA-N 1 0 276.380 2.089 10 0 CEAERO O=C(C[NH2+]C1C2CC3CC(C2)CC1C3)N1CCCC1 ZINC000157850213 526876670 /nfs/dbraw/zinc/87/66/70/526876670.db2.gz SESSOJKICVBYFI-UHFFFAOYSA-N 1 0 262.397 2.023 10 0 CEAERO O=C(N[C@@H]1CCCC[NH2+]C1)c1nccc2ccccc21 ZINC000070120217 526884853 /nfs/dbraw/zinc/88/48/53/526884853.db2.gz BMWLZIAUZJZEFT-CYBMUJFWSA-N 1 0 269.348 2.107 10 0 CEAERO Cc1nc(CNC[C@H](C[NH3+])c2ccccc2)cs1 ZINC000061613670 526887586 /nfs/dbraw/zinc/88/75/86/526887586.db2.gz IXWSDWFPOYYGKD-ZDUSSCGKSA-N 1 0 261.394 2.284 10 0 CEAERO CC(C)(C)c1nnc(NC[C@@H](O)C[NH+]2CCCCC2)s1 ZINC000153104924 526895394 /nfs/dbraw/zinc/89/53/94/526895394.db2.gz VUMBMHKVEULDGZ-LLVKDONJSA-N 1 0 298.456 2.094 10 0 CEAERO Cc1nc(Cc2cc(F)cc(F)c2)nc(C)c1C[NH3+] ZINC000054836920 526926174 /nfs/dbraw/zinc/92/61/74/526926174.db2.gz QISYNNMFFBJFEH-UHFFFAOYSA-N 1 0 263.291 2.421 10 0 CEAERO Cc1nc(Cc2ccccn2)nc(C)c1[C@@H](C)C[NH3+] ZINC000054837061 526929143 /nfs/dbraw/zinc/92/91/43/526929143.db2.gz YGBCDSGWCKJIHE-JTQLQIEISA-N 1 0 256.353 2.141 10 0 CEAERO NC(=O)[C@@H]([NH2+]CC1CC1)c1csc2ccccc21 ZINC000054464983 526955724 /nfs/dbraw/zinc/95/57/24/526955724.db2.gz AZHHCCLRUDWEHI-ZDUSSCGKSA-N 1 0 260.362 2.427 10 0 CEAERO Cc1nc(N2CC[NH+](C(C)(C)C)CC2)sc1[C@@H](C)O ZINC000054928190 526967163 /nfs/dbraw/zinc/96/71/63/526967163.db2.gz FQHCXXNLHAIRCQ-LLVKDONJSA-N 1 0 283.441 2.425 10 0 CEAERO NC(=O)[C@@](CSCC1CCCC1)([NH2+]C1CC1)C1CC1 ZINC000069190748 526988703 /nfs/dbraw/zinc/98/87/03/526988703.db2.gz BPIQWMTVOYKQDQ-HNNXBMFYSA-N 1 0 282.453 2.296 10 0 CEAERO [NH3+]CCCS(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000058250655 527182272 /nfs/dbraw/zinc/18/22/72/527182272.db2.gz RGWBSRRHXFQSLS-UHFFFAOYSA-N 1 0 282.192 2.257 10 0 CEAERO [NH3+]CCCc1nc([C@H]2CCCc3ccccc32)no1 ZINC000063156961 527182921 /nfs/dbraw/zinc/18/29/21/527182921.db2.gz DDMRZDVWPJSAIZ-ZDUSSCGKSA-N 1 0 257.337 2.429 10 0 CEAERO [NH3+]CCN(C(=O)[C@@H]1CCCc2ccccc21)C1CC1 ZINC000054668355 527184033 /nfs/dbraw/zinc/18/40/33/527184033.db2.gz ZPODXSHSAQXMRJ-OAHLLOKOSA-N 1 0 258.365 2.056 10 0 CEAERO [NH3+]CCN1C(=O)S/C(=C\c2cccc3cccnc23)C1=O ZINC000069500565 527186859 /nfs/dbraw/zinc/18/68/59/527186859.db2.gz OMVPZZCVPXLXNH-XFXZXTDPSA-N 1 0 299.355 2.230 10 0 CEAERO [NH3+]CCOc1ccccc1NC(=O)CC[C@@H]1CCCCO1 ZINC000069383379 527190504 /nfs/dbraw/zinc/19/05/04/527190504.db2.gz MFNAYKXKYPTYHU-ZDUSSCGKSA-N 1 0 292.379 2.312 10 0 CEAERO [NH3+]CCc1cnc(-c2ccccc2Br)nc1 ZINC000054857394 527197819 /nfs/dbraw/zinc/19/78/19/527197819.db2.gz OTFJOMWFABVDLT-UHFFFAOYSA-N 1 0 278.153 2.407 10 0 CEAERO [NH3+]CCc1ccnc(-c2ccccc2Br)n1 ZINC000054833604 527197947 /nfs/dbraw/zinc/19/79/47/527197947.db2.gz LRBQJSUVRCGADP-UHFFFAOYSA-N 1 0 278.153 2.407 10 0 CEAERO [NH3+]C[C@@H](CCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000052946543 527201605 /nfs/dbraw/zinc/20/16/05/527201605.db2.gz GNDDLISMXRIXGG-CABCVRRESA-N 1 0 281.421 2.019 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H](C(=O)NCCC2CCCC2)C1 ZINC000055148112 527213708 /nfs/dbraw/zinc/21/37/08/527213708.db2.gz KAWKJVIAVUTKHC-ZIAGYGMSSA-N 1 0 252.402 2.448 10 0 CEAERO [NH3+]C[C@H](CCc1ccccc1)N1CCCSCC1 ZINC000061624844 527225300 /nfs/dbraw/zinc/22/53/00/527225300.db2.gz IPSNPJRIYJUVFA-HNNXBMFYSA-N 1 0 264.438 2.385 10 0 CEAERO Cn1cc(C[C@@H]([NH3+])Cc2cccc(Br)c2)cn1 ZINC000050542522 527229019 /nfs/dbraw/zinc/22/90/19/527229019.db2.gz BBCTXQSZYFDDRV-ZDUSSCGKSA-N 1 0 294.196 2.295 10 0 CEAERO [NH3+]Cc1ccc(Cl)cc1N1CCn2ccnc2C1 ZINC000062787075 527253784 /nfs/dbraw/zinc/25/37/84/527253784.db2.gz DOOBYUNPWJXFHA-UHFFFAOYSA-N 1 0 262.744 2.015 10 0 CEAERO O=S(=O)(Nc1cccc2ccccc21)C1CC[NH2+]CC1 ZINC000049632405 527254111 /nfs/dbraw/zinc/25/41/11/527254111.db2.gz NKDSXFIYWJKXPO-UHFFFAOYSA-N 1 0 290.388 2.334 10 0 CEAERO [NH3+]Cc1ccc(F)cc1CS(=O)(=O)c1ccccc1F ZINC000069403918 527255061 /nfs/dbraw/zinc/25/50/61/527255061.db2.gz XTYKPZWIKPJDKA-UHFFFAOYSA-N 1 0 297.326 2.397 10 0 CEAERO [NH3+]Cc1cccc(C(=O)N2CCOc3ccccc3C2)c1 ZINC000063012378 527259367 /nfs/dbraw/zinc/25/93/67/527259367.db2.gz OTWJESMZPDWHQA-UHFFFAOYSA-N 1 0 282.343 2.180 10 0 CEAERO Cc1ncc(CNC[C@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)s1 ZINC000049538895 527271566 /nfs/dbraw/zinc/27/15/66/527271566.db2.gz YWAGBLRRUAMIKH-BZPMIXESSA-N 1 0 265.426 2.462 10 0 CEAERO Cc1ncc(CNC[C@H]([NH3+])Cc2ccccc2)s1 ZINC000049538860 527271856 /nfs/dbraw/zinc/27/18/56/527271856.db2.gz DFRDQJBXPSLSLC-CYBMUJFWSA-N 1 0 261.394 2.111 10 0 CEAERO O=C(Nc1ccc2c(c1)C[NH2+]CC2)c1ccc(O)cc1 ZINC000069052708 527279507 /nfs/dbraw/zinc/27/95/07/527279507.db2.gz YYNWNMDCVNQIDF-UHFFFAOYSA-N 1 0 268.316 2.290 10 0 CEAERO NNc1ccc(Cl)c(Cn2ncc3ccccc32)[nH+]1 ZINC000061639367 527279896 /nfs/dbraw/zinc/27/98/96/527279896.db2.gz YMMVKUPPLIFMIB-UHFFFAOYSA-N 1 0 273.727 2.419 10 0 CEAERO NNc1[nH+]cccc1CN(Cc1ccco1)C1CC1 ZINC000052722477 527287295 /nfs/dbraw/zinc/28/72/95/527287295.db2.gz NKGGYUVJMXQJBE-UHFFFAOYSA-N 1 0 258.325 2.125 10 0 CEAERO O=S1(=O)CCC[C@@H]([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000069136770 527301702 /nfs/dbraw/zinc/30/17/02/527301702.db2.gz ZMXMPRWXUDUKIP-GARJFASQSA-N 1 0 299.358 2.274 10 0 CEAERO [NH3+][C@@H](CC[C@H]1CCCCO1)c1ccc2[nH]c(=O)oc2c1 ZINC000069389720 527330337 /nfs/dbraw/zinc/33/03/37/527330337.db2.gz CSTSIVGFTWBGLE-NEPJUHHUSA-N 1 0 276.336 2.470 10 0 CEAERO [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccs1 ZINC000011954698 527334033 /nfs/dbraw/zinc/33/40/33/527334033.db2.gz HCIHGWHZKKRVQZ-AWEZNQCLSA-N 1 0 299.399 2.416 10 0 CEAERO Cc1nccc(CNc2ccccc2C[NH+](C)C)n1 ZINC000054790648 527341137 /nfs/dbraw/zinc/34/11/37/527341137.db2.gz GYSDVPUNPMAAPW-UHFFFAOYSA-N 1 0 256.353 2.459 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)Cc1cccc(Cl)c1 ZINC000052945304 527342436 /nfs/dbraw/zinc/34/24/36/527342436.db2.gz QNQWYKUTDIZSJN-OLZOCXBDSA-N 1 0 266.772 2.269 10 0 CEAERO O=C(Nc1cccc(Cl)c1-n1ccnc1)[C@H]1CC[NH2+]C1 ZINC000062113248 527345212 /nfs/dbraw/zinc/34/52/12/527345212.db2.gz HPHAKWVIMDIJQJ-JTQLQIEISA-N 1 0 290.754 2.074 10 0 CEAERO [NH3+][C@@H]1CCN(c2cc(Br)ccc2Cl)C1=O ZINC000061691690 527364378 /nfs/dbraw/zinc/36/43/78/527364378.db2.gz IIOAMJXMDWERRF-MRVPVSSYSA-N 1 0 289.560 2.167 10 0 CEAERO O=C(Nc1cccc2c(O)cccc12)[C@H]1CC[NH2+]C1 ZINC000062113962 527377909 /nfs/dbraw/zinc/37/79/09/527377909.db2.gz MIYYQXOSCHTNQI-JTQLQIEISA-N 1 0 256.305 2.093 10 0 CEAERO [NH3+][C@H]1CCCCC[C@H]1NC(=O)C1(c2ccccc2)CC1 ZINC000063210503 527395053 /nfs/dbraw/zinc/39/50/53/527395053.db2.gz KXTLXNXITBRNGH-LSDHHAIUSA-N 1 0 272.392 2.494 10 0 CEAERO [NH3+][C@H]1CCCCC[C@H]1N(CCO)Cc1ccccc1 ZINC000050515509 527395385 /nfs/dbraw/zinc/39/53/85/527395385.db2.gz MKIWOTPOVHKDLV-JKSUJKDBSA-N 1 0 262.397 2.141 10 0 CEAERO [NH3+][C@H]1CCCN(C(=O)C2(c3cccc(F)c3)CCC2)C1 ZINC000157736061 527397582 /nfs/dbraw/zinc/39/75/82/527397582.db2.gz JJBVKJMJENKRBR-AWEZNQCLSA-N 1 0 276.355 2.197 10 0 CEAERO [NH3+][C@H]1COc2cc(OCCCOCC(F)(F)F)ccc21 ZINC000062803507 527417576 /nfs/dbraw/zinc/41/75/76/527417576.db2.gz ILTGCBVMDSPGQH-NSHDSACASA-N 1 0 291.269 2.427 10 0 CEAERO Cc1ncn(-c2cc(C(N)=[NH2+])c3ccccc3n2)c1C ZINC000068798121 527459576 /nfs/dbraw/zinc/45/95/76/527459576.db2.gz ITBIYXJLYCUWFX-UHFFFAOYSA-N 1 0 265.320 2.321 10 0 CEAERO Nc1ccc(N2CC[C@@H]([NH+]3CCCC3)C2)c2ncccc12 ZINC000062975964 527490511 /nfs/dbraw/zinc/49/05/11/527490511.db2.gz DLOPAVPCKHWWHZ-CYBMUJFWSA-N 1 0 282.391 2.492 10 0 CEAERO Nc1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000061702165 527497369 /nfs/dbraw/zinc/49/73/69/527497369.db2.gz LRDZGDOCXPGUBO-OAHLLOKOSA-N 1 0 269.348 2.317 10 0 CEAERO Nc1cccc(OCCCN2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000062977354 527519652 /nfs/dbraw/zinc/51/96/52/527519652.db2.gz LQESAFVDFVHJTD-MRXNPFEDSA-N 1 0 289.423 2.208 10 0 CEAERO Cn1nccc1[C@H]([NH3+])Cc1ccc(F)cc1Cl ZINC000069467952 527628170 /nfs/dbraw/zinc/62/81/70/527628170.db2.gz XJZHRSKAHRXRRO-LLVKDONJSA-N 1 0 253.708 2.455 10 0 CEAERO O[C@@H](C[NH2+]C1CC1)c1ccc(Br)cc1F ZINC000055029288 527651590 /nfs/dbraw/zinc/65/15/90/527651590.db2.gz ODEATQIEEQEXDR-NSHDSACASA-N 1 0 274.133 2.374 10 0 CEAERO O[C@@H](C[NH2+]C1CC1)c1ccc(Br)s1 ZINC000049850144 527651926 /nfs/dbraw/zinc/65/19/26/527651926.db2.gz MOCPTTOYRZYXBG-ZETCQYMHSA-N 1 0 262.172 2.296 10 0 CEAERO FC(F)(F)CO[C@H]1CCC[C@H]([NH2+]Cc2cnccn2)C1 ZINC000054766386 527672230 /nfs/dbraw/zinc/67/22/30/527672230.db2.gz SKERBUGKCTUALI-JQWIXIFHSA-N 1 0 289.301 2.456 10 0 CEAERO FC(F)(F)CO[C@H]1CCC[C@@H]([NH2+]Cc2cnccn2)C1 ZINC000054766385 527672248 /nfs/dbraw/zinc/67/22/48/527672248.db2.gz SKERBUGKCTUALI-PWSUYJOCSA-N 1 0 289.301 2.456 10 0 CEAERO O[C@@H]1CCC[C@H]([NH2+]Cc2cc(F)c(F)c(F)c2)C1 ZINC000062707717 527672935 /nfs/dbraw/zinc/67/29/35/527672935.db2.gz KEABKHNERXOYEJ-VHSXEESVSA-N 1 0 259.271 2.497 10 0 CEAERO O[C@@H]1CCN(c2cccc(Cl)c2C[NH2+]C2CC2)C1 ZINC000061711228 527675244 /nfs/dbraw/zinc/67/52/44/527675244.db2.gz AFHYXYXRUFXFCF-LLVKDONJSA-N 1 0 266.772 2.163 10 0 CEAERO CCCCN(CCCC)C(=O)C[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401490738 528400079 /nfs/dbraw/zinc/40/00/79/528400079.db2.gz GPJUBPTZPYPVHV-GJZGRUSLSA-N 1 0 284.444 2.118 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)CCSc2ccccn2)C1 ZINC000152295552 529087427 /nfs/dbraw/zinc/08/74/27/529087427.db2.gz DBXCHPHKFCOKLB-ZDUSSCGKSA-N 1 0 293.436 2.164 10 0 CEAERO CCC[NH2+][C@H]1CCN(CCC(=O)N(C)C)c2ccccc21 ZINC000071378401 535191922 /nfs/dbraw/zinc/19/19/22/535191922.db2.gz HXEIHSAZCNSEGL-HNNXBMFYSA-N 1 0 289.423 2.416 10 0 CEAERO CC[NH2+][C@H](CCO)CN1CCCc2cc(C)ccc21 ZINC000085921633 535516000 /nfs/dbraw/zinc/51/60/00/535516000.db2.gz BWKBLSUBFZFXEM-OAHLLOKOSA-N 1 0 262.397 2.108 10 0 CEAERO CC[C@@](C)(C[NH3+])[C@@H](O)c1ccc2c(c1)CCCN2C ZINC000091909775 535979211 /nfs/dbraw/zinc/97/92/11/535979211.db2.gz IZCOWRRFEWRKET-HOTGVXAUSA-N 1 0 262.397 2.477 10 0 CEAERO CC[C@@]1(C)CN(c2ccc(N3CCOCC3)cc2)CC[NH2+]1 ZINC000086148819 536059862 /nfs/dbraw/zinc/05/98/62/536059862.db2.gz ALHVTUDVLFVWDB-KRWDZBQOSA-N 1 0 289.423 2.102 10 0 CEAERO C[NH2+][C@@H](C)c1cc(F)ccc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090906377 536350957 /nfs/dbraw/zinc/35/09/57/536350957.db2.gz QEGXADCPXWHQTA-WCFLWFBJSA-N 1 0 264.344 2.474 10 0 CEAERO C[NH2+][C@H]1CCCN(c2cccc(Br)n2)C1 ZINC000095071424 536415583 /nfs/dbraw/zinc/41/55/83/536415583.db2.gz CPNGJSRDRONMPF-VIFPVBQESA-N 1 0 270.174 2.032 10 0 CEAERO Cn1cc(CCC[NH2+][C@@H]2CCOc3ccccc32)cn1 ZINC000314217855 538766288 /nfs/dbraw/zinc/76/62/88/538766288.db2.gz VPUCJFRUBIQTMB-OAHLLOKOSA-N 1 0 271.364 2.466 10 0 CEAERO Cn1cc(C[NH2+]CC[C@@H]2CCCO2)c(C(C)(C)C)n1 ZINC000093947450 538798425 /nfs/dbraw/zinc/79/84/25/538798425.db2.gz LXHDSZZIKXWLFS-ZDUSSCGKSA-N 1 0 265.401 2.376 10 0 CEAERO CCC1(CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])CCCC1 ZINC000227431122 538837042 /nfs/dbraw/zinc/83/70/42/538837042.db2.gz NPEHZUVNOCAXLV-QWHCGFSZSA-N 1 0 252.402 2.448 10 0 CEAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@H]1c1cccs1 ZINC000757192302 574512142 /nfs/dbraw/zinc/51/21/42/574512142.db2.gz YENGQUYOXVKMAS-ZJUUUORDSA-N 1 0 253.367 2.393 10 0 CEAERO Cc1ccc(Br)cc1CN1CC[C@@H]1C[NH3+] ZINC000757141591 574510227 /nfs/dbraw/zinc/51/02/27/574510227.db2.gz DLHYXIUIXGSNPM-GFCCVEGCSA-N 1 0 269.186 2.291 10 0 CEAERO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)c1ccc2ccccc2c1 ZINC000731828542 574603625 /nfs/dbraw/zinc/60/36/25/574603625.db2.gz OUDPPZZGVHIUMT-IAGOWNOFSA-N 1 0 298.386 2.084 10 0 CEAERO Brc1ccc(-c2cnnn2[C@@H]2CC[NH2+]C2)cc1 ZINC000259526143 570267801 /nfs/dbraw/zinc/26/78/01/570267801.db2.gz VQRUISUDRJVRJD-LLVKDONJSA-N 1 0 293.168 2.242 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000675059561 570365385 /nfs/dbraw/zinc/36/53/85/570365385.db2.gz IWPNGNLXWLBTBK-XQQFMLRXSA-N 1 0 268.401 2.489 10 0 CEAERO Cc1ccc(Cc2noc([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000051752474 625322432 /nfs/dbraw/zinc/32/24/32/625322432.db2.gz IAFNUYCBMXGKAL-ZDUSSCGKSA-N 1 0 257.337 2.436 10 0 CEAERO CC(=O)N1CC[C@H]([NH2+]C/C(Cl)=C/Cl)[C@@H](C)C1 ZINC000309832227 625322586 /nfs/dbraw/zinc/32/25/86/625322586.db2.gz YVVUKEUDBLEJEU-RDEBWYJNSA-N 1 0 265.184 2.152 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@H]2CCC[NH2+]C2)cc1F ZINC000094956634 625325358 /nfs/dbraw/zinc/32/53/58/625325358.db2.gz GHBJMUGOPRTZNS-AAEUAGOBSA-N 1 0 264.344 2.311 10 0 CEAERO COCCO[C@H]1CCC[N@H+](C[C@@](C)(O)c2ccccc2)C1 ZINC000179287452 625368321 /nfs/dbraw/zinc/36/83/21/625368321.db2.gz RMXNMJSZKIWZRL-DLBZAZTESA-N 1 0 293.407 2.022 10 0 CEAERO Cc1nc(NC[C@@H]2CC[NH2+]C2)ccc1Br ZINC000235950710 625577837 /nfs/dbraw/zinc/57/78/37/625577837.db2.gz WGBIFBJOGITHFG-SECBINFHSA-N 1 0 270.174 2.174 10 0 CEAERO Cc1ccnc(NC[C@H]2CC[NH2+]C2)c1Br ZINC000235937450 625578298 /nfs/dbraw/zinc/57/82/98/625578298.db2.gz PKINYBFPJFHSKY-VIFPVBQESA-N 1 0 270.174 2.174 10 0 CEAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@@H]1c1cccs1 ZINC000757192300 622965419 /nfs/dbraw/zinc/96/54/19/622965419.db2.gz YENGQUYOXVKMAS-UWVGGRQHSA-N 1 0 253.367 2.393 10 0 CEAERO C[C@@H]1C[NH+](C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C[C@@H](C)O1 ZINC000891400452 623594979 /nfs/dbraw/zinc/59/49/79/623594979.db2.gz AIGPWGMBOYJGIX-SYQHCUMBSA-N 1 0 298.427 2.399 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)CCCc1ccccc1 ZINC000061883532 623693841 /nfs/dbraw/zinc/69/38/41/623693841.db2.gz JUGREZMZOGGRSI-HUUCEWRRSA-N 1 0 260.381 2.253 10 0 CEAERO C[C@@H](O)[C@H](C)[NH2+][C@@H](C)c1ncc(Br)s1 ZINC000308625940 623903106 /nfs/dbraw/zinc/90/31/06/623903106.db2.gz WCVYSEASIBGIDZ-LYFYHCNISA-N 1 0 279.203 2.326 10 0 CEAERO COc1ccc(NC(=O)C2CC([NH3+])C2)cc1Br ZINC000258631162 624113042 /nfs/dbraw/zinc/11/30/42/624113042.db2.gz DCNVZPHDHZCDGS-UHFFFAOYSA-N 1 0 299.168 2.134 10 0 CEAERO Cc1ccc(Br)cc1NC(=O)C1CC([NH3+])C1 ZINC000258657438 624136703 /nfs/dbraw/zinc/13/67/03/624136703.db2.gz GSVCUHHWXCVDMP-UHFFFAOYSA-N 1 0 283.169 2.433 10 0 CEAERO Cc1ccc(NC(=O)N2CC[NH2+]C[C@H]2C)cc1Cl ZINC000054370921 625770565 /nfs/dbraw/zinc/77/05/65/625770565.db2.gz IUVUMZFGMOZVOJ-SNVBAGLBSA-N 1 0 267.760 2.474 10 0 CEAERO CC1(C[NH2+][C@H]2CCCN(CCO)C2)CCCCCC1 ZINC000394587359 628151587 /nfs/dbraw/zinc/15/15/87/628151587.db2.gz KCVUZKQPCXSTQN-HNNXBMFYSA-N 1 0 268.445 2.393 10 0 CEAERO COc1cc(-c2nc([C@H](C)C[NH3+])no2)cc(OC)c1C ZINC000312435249 628264777 /nfs/dbraw/zinc/26/47/77/628264777.db2.gz BOLRVUSQQAJEGY-MRVPVSSYSA-N 1 0 277.324 2.124 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccc(F)nc1 ZINC000189345533 628310801 /nfs/dbraw/zinc/31/08/01/628310801.db2.gz XJMLBVYFKAYGEN-CYBMUJFWSA-N 1 0 251.349 2.137 10 0 CEAERO C[C@@H](C[NH2+][C@H]1COCC1(C)C)N(C)C(=O)OC(C)(C)C ZINC000312966776 628570850 /nfs/dbraw/zinc/57/08/50/628570850.db2.gz GDARORZDGFJUSG-RYUDHWBXSA-N 1 0 286.416 2.256 10 0 CEAERO CCC[C@H]([NH3+])C(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000236876973 628680528 /nfs/dbraw/zinc/68/05/28/628680528.db2.gz HYFUJMMVURWBMM-AGIUHOORSA-N 1 0 270.417 2.071 10 0 CEAERO C[C@H]([NH3+])[C@@H]1CCCN(c2ncc(Cl)cc2F)C1 ZINC000094052566 628750523 /nfs/dbraw/zinc/75/05/23/628750523.db2.gz YKKVXYTVZCPZBA-DTWKUNHWSA-N 1 0 257.740 2.438 10 0 CEAERO CN(Cc1cccc(Br)c1)C(=O)C1CC([NH3+])C1 ZINC000258764822 628766264 /nfs/dbraw/zinc/76/62/64/628766264.db2.gz RJAXSKBOWMZQAR-UHFFFAOYSA-N 1 0 297.196 2.145 10 0 CEAERO CCOC1CC(CC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)C1 ZINC000249070025 628790453 /nfs/dbraw/zinc/79/04/53/628790453.db2.gz KUHQPHMVEMTADL-URGYJCLVSA-N 1 0 282.428 2.037 10 0 CEAERO c1ccc(CC[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000094365975 628813162 /nfs/dbraw/zinc/81/31/62/628813162.db2.gz YYPSJDIETCMPER-HOTGVXAUSA-N 1 0 261.365 2.157 10 0 CEAERO C[C@H]1CN(c2ncc(Cl)cc2Br)C[C@H]1[NH3+] ZINC000261536971 628936347 /nfs/dbraw/zinc/93/63/47/628936347.db2.gz UKKUXCUOIGTIQM-IMTBSYHQSA-N 1 0 290.592 2.281 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1Cc1csc(C(C)(C)C)n1 ZINC000261561994 628938402 /nfs/dbraw/zinc/93/84/02/628938402.db2.gz VWXKHNVKAQINNZ-GXSJLCMTSA-N 1 0 253.415 2.362 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1cc(F)c(Cl)cc1F ZINC000261593479 628942988 /nfs/dbraw/zinc/94/29/88/628942988.db2.gz ZEBSWZPCXYBUQP-KBUNVGBDSA-N 1 0 274.698 2.180 10 0 CEAERO C[NH+](C)[C@@H]1CCN(c2nc(Cl)nc3sccc32)C1 ZINC000234245983 628960280 /nfs/dbraw/zinc/96/02/80/628960280.db2.gz DNRVDLJWLGLWOF-MRVPVSSYSA-N 1 0 282.800 2.485 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1Cc1cc(F)cc2cccnc21 ZINC000261649620 628960448 /nfs/dbraw/zinc/96/04/48/628960448.db2.gz YBTZBBILFOXOQP-YGRLFVJLSA-N 1 0 259.328 2.295 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)[C@@H](C)CSc1ccccc1 ZINC000261752092 629182900 /nfs/dbraw/zinc/18/29/00/629182900.db2.gz NKDPDEISDFNGPX-RYUDHWBXSA-N 1 0 266.410 2.139 10 0 CEAERO CCc1oc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1C ZINC000237077631 629186988 /nfs/dbraw/zinc/18/69/88/629186988.db2.gz FAIWJMWLTXGQNH-MNOVXSKESA-N 1 0 250.342 2.008 10 0 CEAERO CCc1cc(CC)nc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000261805265 629248812 /nfs/dbraw/zinc/24/88/12/629248812.db2.gz RVEGOLVLNRLHKL-NILFDRSVSA-N 1 0 274.412 2.165 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)[C@@]1(C)CCCc2ccccc21 ZINC000261851685 629280799 /nfs/dbraw/zinc/28/07/99/629280799.db2.gz XJUAPFINZNGYOO-WBMJQRKESA-N 1 0 260.381 2.005 10 0 CEAERO CCC[C@H]([NH3+])C(=O)Nc1ccc(NC(=O)NC(C)C)cc1 ZINC000262331781 630688480 /nfs/dbraw/zinc/68/84/80/630688480.db2.gz VTMVSIMTLDGNGS-ZDUSSCGKSA-N 1 0 292.383 2.282 10 0 CEAERO [NH3+]C1(CNS(=O)(=O)/C=C\c2ccccc2)CCCCC1 ZINC000209480193 650437722 /nfs/dbraw/zinc/43/77/22/650437722.db2.gz GKFRTCQEGINDLH-XFXZXTDPSA-N 1 0 294.420 2.238 10 0 CEAERO Cc1cc(NCC2CC([NH3+])C2)ncc1Br ZINC000164040884 639340461 /nfs/dbraw/zinc/34/04/61/639340461.db2.gz ZMYUBZQDQSYAOI-UHFFFAOYSA-N 1 0 270.174 2.302 10 0 CEAERO CO[C@H](c1noc([C@@H](C(C)C)[C@@H](C)[NH3+])n1)C1CC1 ZINC000157242800 639471437 /nfs/dbraw/zinc/47/14/37/639471437.db2.gz XSAPWSDJFMLEAV-MIMYLULJSA-N 1 0 253.346 2.254 10 0 CEAERO CCCCCC[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000157984385 639556750 /nfs/dbraw/zinc/55/67/50/639556750.db2.gz XTGPGOAVTIRWDR-CQSZACIVSA-N 1 0 251.374 2.164 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N[C@@H]1COc2ccccc21 ZINC000227344531 639585922 /nfs/dbraw/zinc/58/59/22/639585922.db2.gz YMXMNPIKUBLADQ-IACUBPJLSA-N 1 0 274.364 2.144 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1ccc(Br)nc1 ZINC000227432608 639591147 /nfs/dbraw/zinc/59/11/47/639591147.db2.gz MKGUSGORAPZXBP-SCZZXKLOSA-N 1 0 298.184 2.158 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cc(F)c(Cl)cc1F ZINC000229585939 639708050 /nfs/dbraw/zinc/70/80/50/639708050.db2.gz UCVXXMJTVKZHMN-JMCQJSRRSA-N 1 0 288.725 2.489 10 0 CEAERO Cn1cc([C@@H]2CCCN2Cn2cccnc2=S)cn1 ZINC000171360398 639713064 /nfs/dbraw/zinc/71/30/64/639713064.db2.gz DGRHESRLFXOGSO-LBPRGKRZSA-N 1 0 275.381 2.141 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1sccc1Cl ZINC000087722118 639723762 /nfs/dbraw/zinc/72/37/62/639723762.db2.gz WEVVSIRMXHSSHD-IONNQARKSA-N 1 0 258.774 2.259 10 0 CEAERO CCCC(=O)N[C@H]1CCC[N@H+](C[Si](C)(C)C)C1 ZINC000171736560 639729116 /nfs/dbraw/zinc/72/91/16/639729116.db2.gz XMXPTYCZFNJSNH-LBPRGKRZSA-N 1 0 256.466 2.245 10 0 CEAERO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CCO1 ZINC000230167320 639742942 /nfs/dbraw/zinc/74/29/42/639742942.db2.gz HGPYPYGRDBLBMR-RDBSUJKOSA-N 1 0 298.427 2.401 10 0 CEAERO CC(C)Cc1nnc(NC(=O)C[C@H]([NH3+])C(C)(C)C)s1 ZINC000230294632 639753374 /nfs/dbraw/zinc/75/33/74/639753374.db2.gz BUZBOWRKCZXGGO-VIFPVBQESA-N 1 0 284.429 2.439 10 0 CEAERO COC1CC([NH2+]Cc2csc(-c3ccccn3)n2)C1 ZINC000230688858 639781685 /nfs/dbraw/zinc/78/16/85/639781685.db2.gz ZSGXQCGXUPDWFX-UHFFFAOYSA-N 1 0 275.377 2.472 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]CCc2ccnn2C)c1C ZINC000231035621 639824122 /nfs/dbraw/zinc/82/41/22/639824122.db2.gz ICCHJGCMGJLGAO-LLVKDONJSA-N 1 0 275.400 2.147 10 0 CEAERO CN(Cc1ccc(Cl)nc1)[C@H]1CCC[NH2+]CC1 ZINC000231458124 639854688 /nfs/dbraw/zinc/85/46/88/639854688.db2.gz JQFIEWSQWLOJKI-LBPRGKRZSA-N 1 0 253.777 2.309 10 0 CEAERO CN(Cc1ccnc(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000231669044 639870457 /nfs/dbraw/zinc/87/04/57/639870457.db2.gz LZNQVTVHYHJMMQ-LBPRGKRZSA-N 1 0 253.777 2.309 10 0 CEAERO CN(Cc1cnc(Cl)s1)[C@@H]1CCC[NH2+]CC1 ZINC000231670995 639871186 /nfs/dbraw/zinc/87/11/86/639871186.db2.gz RJWPXRDYFFJLDS-SECBINFHSA-N 1 0 259.806 2.370 10 0 CEAERO CN(Cc1cccc(Cl)n1)[C@@H]1CCC[NH2+]CC1 ZINC000231670586 639871986 /nfs/dbraw/zinc/87/19/86/639871986.db2.gz UNCSTWPHXCZZOM-GFCCVEGCSA-N 1 0 253.777 2.309 10 0 CEAERO COC1CC([NH2+][C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000231721211 639873630 /nfs/dbraw/zinc/87/36/30/639873630.db2.gz QRIOGZSZNNKTMP-IFWUJCSASA-N 1 0 284.400 2.199 10 0 CEAERO C[NH+](C)C[C@H](NC(=O)C1=CCCCO1)c1ccccc1 ZINC000173722858 639873670 /nfs/dbraw/zinc/87/36/70/639873670.db2.gz OZLHPNWMIMCNOQ-AWEZNQCLSA-N 1 0 274.364 2.100 10 0 CEAERO Cc1cnc([C@@H](C)NC(=O)[C@@H]([NH3+])c2ccc(C)cc2)o1 ZINC000231743452 639876364 /nfs/dbraw/zinc/87/63/64/639876364.db2.gz OFWUGHCMGMAVRX-YPMHNXCESA-N 1 0 273.336 2.169 10 0 CEAERO OC[C@H]([NH2+]Cc1ccc(O)c(F)c1)c1ccccc1 ZINC000083445575 639912150 /nfs/dbraw/zinc/91/21/50/639912150.db2.gz SRMGMMALGLXELV-AWEZNQCLSA-N 1 0 261.296 2.355 10 0 CEAERO Cc1ccnc(-c2noc([C@@H]3CCC[C@H]3C[NH3+])n2)c1 ZINC000089431317 640430992 /nfs/dbraw/zinc/43/09/92/640430992.db2.gz NUDBVMDCYXRWDK-WDEREUQCSA-N 1 0 258.325 2.282 10 0 CEAERO CCSc1ccc(-c2noc([C@H]3C[C@@H](O)C[NH2+]3)n2)cc1 ZINC000233836689 641341589 /nfs/dbraw/zinc/34/15/89/641341589.db2.gz RKDVNWCTPZBGKZ-ZYHUDNBSSA-N 1 0 291.376 2.244 10 0 CEAERO CCCCC[C@H](C)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170861848 641373161 /nfs/dbraw/zinc/37/31/61/641373161.db2.gz NLDYXZXTUIUTQX-STQMWFEESA-N 1 0 255.406 2.301 10 0 CEAERO CC(C)[C@H]([NH3+])CNc1ccccc1S(=O)(=O)C(F)F ZINC000070447792 641667501 /nfs/dbraw/zinc/66/75/01/641667501.db2.gz JBTVBSZCXJMILK-SECBINFHSA-N 1 0 292.351 2.078 10 0 CEAERO C(c1noc([C@H]2CCCS2)n1)[C@H]1CCC[NH2+]C1 ZINC000070438540 641668788 /nfs/dbraw/zinc/66/87/88/641668788.db2.gz MMQNWFJRQPAVRM-NXEZZACHSA-N 1 0 253.371 2.180 10 0 CEAERO C[C@@H](Cc1ccccc1)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000154200342 643077933 /nfs/dbraw/zinc/07/79/33/643077933.db2.gz BTIBWRHBUJCHBN-MELADBBJSA-N 1 0 260.381 2.074 10 0 CEAERO C[C@@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1ccc(F)c(F)c1 ZINC000126892789 650995251 /nfs/dbraw/zinc/99/52/51/650995251.db2.gz WNNCNGSDFGDOCS-MWLCHTKSSA-N 1 0 289.347 2.193 10 0 CEAERO CCC1CCC([NH2+]CC2CCS(=O)(=O)CC2)CC1 ZINC000120864049 647575810 /nfs/dbraw/zinc/57/58/10/647575810.db2.gz YIZCIXLFHIYGSD-UHFFFAOYSA-N 1 0 273.442 2.370 10 0 CEAERO CC[C@@](C)(O)C[N@@H+]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000123440422 648973463 /nfs/dbraw/zinc/97/34/63/648973463.db2.gz FVFPKTQSUMVFLA-SWLSCSKDSA-N 1 0 286.416 2.137 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCc2sccc2C1 ZINC000019441483 649366916 /nfs/dbraw/zinc/36/69/16/649366916.db2.gz WLRIHJDLEAUPBR-JOYOIKCWSA-N 1 0 252.383 2.006 10 0 CEAERO CCCCCC(C)(C)CNC(=O)C1([NH3+])CCOCC1 ZINC000128039524 651355699 /nfs/dbraw/zinc/35/56/99/651355699.db2.gz WTDXUIMFJVEUGA-UHFFFAOYSA-N 1 0 270.417 2.217 10 0 CEAERO CCOC(=O)c1cccnc1NCC1(C)CC[NH2+]CC1 ZINC000129465171 651975230 /nfs/dbraw/zinc/97/52/30/651975230.db2.gz JJCHBEKWJHZLBY-UHFFFAOYSA-N 1 0 277.368 2.060 10 0 CEAERO COc1ccc(-c2noc([C@@H]3C[NH2+]C[C@H]3C)n2)cc1C ZINC000129791696 652169273 /nfs/dbraw/zinc/16/92/73/652169273.db2.gz WKTRRCAZTDHRPQ-ZYHUDNBSSA-N 1 0 273.336 2.377 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)c1ccc([C@H](C)O)cn1 ZINC000213289308 652244787 /nfs/dbraw/zinc/24/47/87/652244787.db2.gz JDSCEZDOKYJCEA-GXTWGEPZSA-N 1 0 263.385 2.055 10 0 CEAERO CCOc1ccccc1[C@H](C)[NH2+]CC[S@@](C)=O ZINC000131423841 652424423 /nfs/dbraw/zinc/42/44/23/652424423.db2.gz QFTCVEPTWBHJNK-GTNSWQLSSA-N 1 0 255.383 2.114 10 0 CEAERO O[C@H]1C[NH2+][C@@H](c2nc(-c3ccc4ccccc4c3)no2)C1 ZINC000131747797 652459636 /nfs/dbraw/zinc/45/96/36/652459636.db2.gz WTBBDFPTEAFBEO-ZIAGYGMSSA-N 1 0 281.315 2.285 10 0 CEAERO C[NH2+][C@H](C)c1nc(-c2ccc(Br)cn2)no1 ZINC000133016331 652585915 /nfs/dbraw/zinc/58/59/15/652585915.db2.gz RZJLARAMBPPMQK-ZCFIWIBFSA-N 1 0 283.129 2.175 10 0 CEAERO COc1c(CNC2CC(C)(C)[NH2+]C(C)(C)C2)c(C)nn1C ZINC000134333739 652822673 /nfs/dbraw/zinc/82/26/73/652822673.db2.gz BZWVEOVTJCRFMY-UHFFFAOYSA-N 1 0 294.443 2.136 10 0 CEAERO C[C@H]1CCC[C@H](S(=O)(=O)CCC[NH2+]C2CC2)C1 ZINC000081983299 177911579 /nfs/dbraw/zinc/91/15/79/177911579.db2.gz JSQSPVBTYJGAAG-AAEUAGOBSA-N 1 0 259.415 2.122 10 0 CEAERO Cc1cccc(C[S@](=O)CCC[NH2+]C2CC2)c1 ZINC000081996694 177916290 /nfs/dbraw/zinc/91/62/90/177916290.db2.gz KULDAJCQBOKVDR-KRWDZBQOSA-N 1 0 251.395 2.386 10 0 CEAERO CCC[C@@H](C[S@](=O)c1ccccc1OC)[NH2+]C ZINC000082000175 177917739 /nfs/dbraw/zinc/91/77/39/177917739.db2.gz LVOHLSRUZXRKAM-APPDUMDISA-N 1 0 255.383 2.191 10 0 CEAERO Nc1cccc(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c1 ZINC000082291361 177949032 /nfs/dbraw/zinc/94/90/32/177949032.db2.gz OZXJKSNEERGILX-UHFFFAOYSA-N 1 0 279.303 2.102 10 0 CEAERO CC[C@@H](C)c1ccc(Cn2nncc2CC[NH3+])cc1 ZINC000082296125 177950633 /nfs/dbraw/zinc/95/06/33/177950633.db2.gz SEBKBLANZYKKFR-GFCCVEGCSA-N 1 0 258.369 2.341 10 0 CEAERO COCC[NH2+]Cc1sc(N(C)C)nc1C(C)C ZINC000082434675 178011677 /nfs/dbraw/zinc/01/16/77/178011677.db2.gz ZEVPOIBDVKYHJW-UHFFFAOYSA-N 1 0 257.403 2.069 10 0 CEAERO O[C@]1(Cc2ccc(F)c(Br)c2)CCC[NH2+]C1 ZINC000082462332 178039275 /nfs/dbraw/zinc/03/92/75/178039275.db2.gz CEJVRKLQKLGEHV-LBPRGKRZSA-N 1 0 288.160 2.245 10 0 CEAERO NC(=[NH2+])c1cc(F)ccc1-n1cc(Br)cn1 ZINC000082522775 178088155 /nfs/dbraw/zinc/08/81/55/178088155.db2.gz TXLASMMNPGEGMH-UHFFFAOYSA-N 1 0 283.104 2.058 10 0 CEAERO Cn1c2ncccc2nc1[C@H]([NH3+])Cc1ccccc1 ZINC000082556000 178092455 /nfs/dbraw/zinc/09/24/55/178092455.db2.gz JGSDUCVXXZYDLO-GFCCVEGCSA-N 1 0 252.321 2.211 10 0 CEAERO O=S1(=O)CC(CC[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)C1 ZINC000336427309 365574923 /nfs/dbraw/zinc/57/49/23/365574923.db2.gz NICCKRNERAYEEO-KBPBESRZSA-N 1 0 271.426 2.076 10 0 CEAERO Cc1nc2c(Br)cc(F)cn2c1C[NH3+] ZINC000082693625 178187437 /nfs/dbraw/zinc/18/74/37/178187437.db2.gz JOLHIDHZZCFXHW-UHFFFAOYSA-N 1 0 258.094 2.003 10 0 CEAERO CC(C)(C)OC(=O)NC[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000032625257 361747593 /nfs/dbraw/zinc/74/75/93/361747593.db2.gz OCBLBCHMNLRFCF-RISCZKNCSA-N 1 0 254.374 2.291 10 0 CEAERO C[C@@H]1CN(c2cc(Cl)nc(C3CC3)n2)C[C@@H]1[NH+](C)C ZINC000124727897 187150809 /nfs/dbraw/zinc/15/08/09/187150809.db2.gz MWFYFKSWQPSIKG-KOLCDFICSA-N 1 0 280.803 2.394 10 0 CEAERO C[C@H]([NH3+])CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1 ZINC000034437332 361790223 /nfs/dbraw/zinc/79/02/23/361790223.db2.gz WVRHAAJMBVPRQT-HEHGZKQESA-N 1 0 262.397 2.339 10 0 CEAERO COCC[NH2+]C[C@@H](C)Cc1occc1Br ZINC000082764494 178279015 /nfs/dbraw/zinc/27/90/15/178279015.db2.gz QOOMWUREPFEJAB-VIFPVBQESA-N 1 0 276.174 2.457 10 0 CEAERO COCC[N@@H+]1CCC12CCN(C(=O)c1ccsc1)CC2 ZINC000096077973 185089815 /nfs/dbraw/zinc/08/98/15/185089815.db2.gz MVJIZWKCRKPMKW-UHFFFAOYSA-N 1 0 294.420 2.075 10 0 CEAERO C[C@H](C[NH3+])S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000082789852 178295265 /nfs/dbraw/zinc/29/52/65/178295265.db2.gz GTPCHJZGRQTHCE-ZCFIWIBFSA-N 1 0 268.165 2.114 10 0 CEAERO C[C@@H]([NH3+])[C@H](CO)Sc1nc2ccccc2s1 ZINC000082988016 178332354 /nfs/dbraw/zinc/33/23/54/178332354.db2.gz ZSLOASBHIBJYEY-XCBNKYQSSA-N 1 0 254.380 2.097 10 0 CEAERO COc1c(C[NH2+]C[C@]2(C)CCCS2)c(C)nn1C ZINC000124698117 365656610 /nfs/dbraw/zinc/65/66/10/365656610.db2.gz ZFYSNXOHEQWDMB-ZDUSSCGKSA-N 1 0 269.414 2.112 10 0 CEAERO [NH3+]C[C@@H](O)CCSc1ccccc1Br ZINC000082917457 178329668 /nfs/dbraw/zinc/32/96/68/178329668.db2.gz JEYSHHIDVFCYJP-QMMMGPOBSA-N 1 0 276.199 2.251 10 0 CEAERO C[C@@](O)(C[NH3+])CSc1cccc(Br)c1 ZINC000082916819 178329673 /nfs/dbraw/zinc/32/96/73/178329673.db2.gz GXPYLTUBBLFYCC-SNVBAGLBSA-N 1 0 276.199 2.251 10 0 CEAERO CC[NH2+]CCc1cc2c(c(Br)c1)OCO2 ZINC000082954746 178329819 /nfs/dbraw/zinc/32/98/19/178329819.db2.gz PYEMCPXVSNIVPO-UHFFFAOYSA-N 1 0 272.142 2.330 10 0 CEAERO Cc1ccc(C(=O)CCN2C[C@@H](C)[C@H]([NH+](C)C)C2)cc1 ZINC000125181121 187173734 /nfs/dbraw/zinc/17/37/34/187173734.db2.gz UNUOPIPOHVQPNN-GDBMZVCRSA-N 1 0 274.408 2.450 10 0 CEAERO Cc1ccc(S(=O)(=O)C[C@H]2CCCC[NH2+]2)c(C)c1 ZINC000083309110 178380321 /nfs/dbraw/zinc/38/03/21/178380321.db2.gz WORLPWBQMLQFPS-CYBMUJFWSA-N 1 0 267.394 2.219 10 0 CEAERO CC(C)[C@@H]1C[NH2+]CCN1CCc1ccccc1F ZINC000083383635 178386237 /nfs/dbraw/zinc/38/62/37/178386237.db2.gz LZEYRUVPDZNUPX-HNNXBMFYSA-N 1 0 250.361 2.298 10 0 CEAERO COCC[N@@H+](Cc1ccccc1F)C[C@@H](O)COC(C)C ZINC000036096237 361828330 /nfs/dbraw/zinc/82/83/30/361828330.db2.gz KTVIXCOJQDQMNK-OAHLLOKOSA-N 1 0 299.386 2.060 10 0 CEAERO CCNC(=O)C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000036780299 361856303 /nfs/dbraw/zinc/85/63/03/361856303.db2.gz IWAZQQKMAONJIQ-QMMMGPOBSA-N 1 0 258.724 2.266 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@H]2[NH2+]CCC[C@H]2C1 ZINC000096897196 185124501 /nfs/dbraw/zinc/12/45/01/185124501.db2.gz OEFXICZJKJOJRG-NWDGAFQWSA-N 1 0 254.374 2.386 10 0 CEAERO CCOc1ccccc1[C@@H](C)[NH2+]CC(=O)NC1CC1 ZINC000036782331 361857980 /nfs/dbraw/zinc/85/79/80/361857980.db2.gz GSLLIGJOPXMSKW-LLVKDONJSA-N 1 0 262.353 2.015 10 0 CEAERO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C[NH3+])C[C@@H]2C1 ZINC000096958448 185141446 /nfs/dbraw/zinc/14/14/46/185141446.db2.gz QVCXWACNEJXOCZ-SDDRHHMPSA-N 1 0 254.374 2.228 10 0 CEAERO C[C@]1(c2cncn2CCc2cccs2)CC[NH2+]C1 ZINC000097011658 185151985 /nfs/dbraw/zinc/15/19/85/185151985.db2.gz PQUQLPLNZIQQMM-AWEZNQCLSA-N 1 0 261.394 2.438 10 0 CEAERO O=C(OCc1ccccc1)N1CC[C@H]([NH2+]C2CC2)[C@@H](F)C1 ZINC000214838279 539030958 /nfs/dbraw/zinc/03/09/58/539030958.db2.gz MXXHIMMQMBVVGB-GJZGRUSLSA-N 1 0 292.354 2.488 10 0 CEAERO CCc1cc(C)c(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)o1 ZINC000125840060 365688898 /nfs/dbraw/zinc/68/88/98/365688898.db2.gz JPMWJEJNJPHWPC-QWHCGFSZSA-N 1 0 276.380 2.459 10 0 CEAERO C[NH+](C)[C@@H]1CCN(c2ncc(Br)cc2F)C1 ZINC000229537358 539166946 /nfs/dbraw/zinc/16/69/46/539166946.db2.gz QSILTLJPTKBMEX-SECBINFHSA-N 1 0 288.164 2.124 10 0 CEAERO FC1(F)CCCC[C@@H]1CN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000394503279 539163426 /nfs/dbraw/zinc/16/34/26/539163426.db2.gz SIWLAKPLRDGBJS-YNEHKIRRSA-N 1 0 258.356 2.496 10 0 CEAERO Cn1c2ccccc2nc1C[N@@H+]1CCC[C@H]1Cn1ccnc1 ZINC000188401109 539178838 /nfs/dbraw/zinc/17/88/38/539178838.db2.gz MWCUTXFHJNOZAA-AWEZNQCLSA-N 1 0 295.390 2.434 10 0 CEAERO CCCn1cc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)cn1 ZINC000188401308 539178896 /nfs/dbraw/zinc/17/88/96/539178896.db2.gz MOYLQLKHMMJTCS-OAHLLOKOSA-N 1 0 273.384 2.154 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CC[C@@H]2CCCC[C@@H]21 ZINC000226573671 539172687 /nfs/dbraw/zinc/17/26/87/539172687.db2.gz RQWYVFLDCXDJGI-FQUUOJAGSA-N 1 0 250.386 2.166 10 0 CEAERO C[C@H](NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)C1CCCC1 ZINC000070307713 539173435 /nfs/dbraw/zinc/17/34/35/539173435.db2.gz WVCRJIFNWVRHEF-JOYOIKCWSA-N 1 0 278.318 2.223 10 0 CEAERO CC[C@H](NC(=O)OC(C)(C)C)[C@@]1(C)[NH2+]CCc2nc[nH]c21 ZINC000725242797 539190590 /nfs/dbraw/zinc/19/05/90/539190590.db2.gz UCPQVBVANLEKNA-XHDPSFHLSA-N 1 0 294.399 2.074 10 0 CEAERO CC(C)(C)CCNC(=O)[C@@H]([NH3+])CCc1ccccc1 ZINC000083456809 178472220 /nfs/dbraw/zinc/47/22/20/178472220.db2.gz JMVQQBFZJFSZHR-AWEZNQCLSA-N 1 0 262.397 2.499 10 0 CEAERO CCCN1CCC(=O)C12CC(C)(C)[NH2+]C(C)(C)C2 ZINC000725266463 539213733 /nfs/dbraw/zinc/21/37/33/539213733.db2.gz RBZOOPIIEQFGHW-UHFFFAOYSA-N 1 0 252.402 2.351 10 0 CEAERO Cc1cc(F)c(C(=O)N2CC[C@H]([NH+](C)C)C2)cc1F ZINC000133897195 539276398 /nfs/dbraw/zinc/27/63/98/539276398.db2.gz ZAGLEGSSCWRNFY-JTQLQIEISA-N 1 0 268.307 2.049 10 0 CEAERO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCS2(=O)=O)CC(C)(C)C1 ZINC000126955999 365727586 /nfs/dbraw/zinc/72/75/86/365727586.db2.gz CAAUGOLSCKASQT-UPJWGTAASA-N 1 0 273.442 2.368 10 0 CEAERO N[C@@H](C[NH3+])c1cc(Br)cc(OC(F)(F)F)c1 ZINC000044473218 362153350 /nfs/dbraw/zinc/15/33/50/362153350.db2.gz KCLKLSPFHYGKTC-QMMMGPOBSA-N 1 0 299.090 2.306 10 0 CEAERO C[NH+](C)CCN(Cc1ccccn1)c1ccccn1 ZINC000002012478 343351546 /nfs/dbraw/zinc/35/15/46/343351546.db2.gz RWGIRAQEBOXWTA-UHFFFAOYSA-N 1 0 256.353 2.045 10 0 CEAERO CCOC(=O)[C@@H]1CCC[N@H+](C[C@@](C)(O)c2ccccc2)C1 ZINC000126771464 187260602 /nfs/dbraw/zinc/26/06/02/187260602.db2.gz OCYDAJIDGPWTGV-RHSMWYFYSA-N 1 0 291.391 2.169 10 0 CEAERO CC[NH+](CC)CCN1CCN2c3ccccc3CC[C@H]2C1 ZINC000031374443 343408158 /nfs/dbraw/zinc/40/81/58/343408158.db2.gz KCDMRGIXVODWCZ-KRWDZBQOSA-N 1 0 287.451 2.465 10 0 CEAERO O[C@@H](COc1cccc2c1CCC2)C[NH+]1CCCCC1 ZINC000033856447 343418252 /nfs/dbraw/zinc/41/82/52/343418252.db2.gz OSQXNJFIVXOZLL-OAHLLOKOSA-N 1 0 275.392 2.401 10 0 CEAERO CCC(C)(C)c1ccc(OC[C@H]2C[NH+]=C(N)O2)cc1 ZINC000034536930 343420132 /nfs/dbraw/zinc/42/01/32/343420132.db2.gz JAPJKKYHEHGGIU-CYBMUJFWSA-N 1 0 262.353 2.467 10 0 CEAERO COC(=O)C[C@H]([NH3+])c1cc(Br)ccc1OC ZINC000034961682 343421108 /nfs/dbraw/zinc/42/11/08/343421108.db2.gz DCBGEQZCKQFXFC-VIFPVBQESA-N 1 0 288.141 2.021 10 0 CEAERO C[C@H](NC(=O)[C@H]1CCC[NH2+]C1)c1cc(F)ccc1F ZINC000037007639 343424858 /nfs/dbraw/zinc/42/48/58/343424858.db2.gz NPCSSPJMIHDOMI-UWVGGRQHSA-N 1 0 268.307 2.142 10 0 CEAERO Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CN(C(C)C)C[C@H]1C ZINC000246005735 539314710 /nfs/dbraw/zinc/31/47/10/539314710.db2.gz SJNXUYAFNNGXTQ-SUNKGSAMSA-N 1 0 250.390 2.097 10 0 CEAERO [NH3+]C1CCC(C(=O)NCc2ccccc2Cl)CC1 ZINC000037622928 343429784 /nfs/dbraw/zinc/42/97/84/343429784.db2.gz AYJVRCHYCCVPCU-UHFFFAOYSA-N 1 0 266.772 2.474 10 0 CEAERO [NH3+]C1CCC(C(=O)NCCCc2ccccc2)CC1 ZINC000037719308 343430377 /nfs/dbraw/zinc/43/03/77/343430377.db2.gz SSSLVBBDJVDOMA-UHFFFAOYSA-N 1 0 260.381 2.253 10 0 CEAERO CC(C)(C)n1cc(C[NH2+]CC[C@@H]2CCCO2)cn1 ZINC000037996947 343432986 /nfs/dbraw/zinc/43/29/86/343432986.db2.gz JYZWZOAIBUSRNR-ZDUSSCGKSA-N 1 0 251.374 2.297 10 0 CEAERO CCN(c1ncccc1NC(C)C)C1CC[NH2+]CC1 ZINC000038978595 343434798 /nfs/dbraw/zinc/43/47/98/343434798.db2.gz XUQIBGFOGXZMGK-UHFFFAOYSA-N 1 0 262.401 2.480 10 0 CEAERO COc1ccccc1N1CC[NH+](C2CCC(=O)CC2)CC1 ZINC000039024968 343435446 /nfs/dbraw/zinc/43/54/46/343435446.db2.gz BKUIMWPAQDTYGH-UHFFFAOYSA-N 1 0 288.391 2.329 10 0 CEAERO CC[C@H](C)SC[C@H]([NH3+])CCCS(=O)(=O)CC ZINC000083499098 178533634 /nfs/dbraw/zinc/53/36/34/178533634.db2.gz UHGVGNYJKZHLIK-WDEREUQCSA-N 1 0 267.460 2.060 10 0 CEAERO C[C@@H](NC(=O)NC1CC[NH+](C)CC1)c1cccs1 ZINC000047885161 362230489 /nfs/dbraw/zinc/23/04/89/362230489.db2.gz WZJSSQVATARNIR-SNVBAGLBSA-N 1 0 267.398 2.203 10 0 CEAERO CC(C)c1nsc(N2CCC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000227879493 539323274 /nfs/dbraw/zinc/32/32/74/539323274.db2.gz NGLNENWUEXKABL-VHSXEESVSA-N 1 0 254.403 2.225 10 0 CEAERO C[C@H]([NH2+]CC1(O)CCSCC1)c1cncc(F)c1 ZINC000305118156 539323505 /nfs/dbraw/zinc/32/35/05/539323505.db2.gz IRTNCPGHMQTDHZ-JTQLQIEISA-N 1 0 270.373 2.129 10 0 CEAERO CCc1nc(C[NH2+][C@H]2CCCC[C@@H]2CO)cs1 ZINC000152332087 529740824 /nfs/dbraw/zinc/74/08/24/529740824.db2.gz RTGCSRMUIPOEEG-PWSUYJOCSA-N 1 0 254.399 2.346 10 0 CEAERO C[C@H](CNC(=O)C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000054308861 343587471 /nfs/dbraw/zinc/58/74/71/343587471.db2.gz RDKZBSIEVNXPLC-ZIAGYGMSSA-N 1 0 260.381 2.296 10 0 CEAERO CN(CCOc1ccc(F)cc1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054307746 343587483 /nfs/dbraw/zinc/58/74/83/343587483.db2.gz QRGIENXRDIOAPR-CYBMUJFWSA-N 1 0 294.370 2.053 10 0 CEAERO OCC[C@@H]1CC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000128038950 365772038 /nfs/dbraw/zinc/77/20/38/365772038.db2.gz RGSOQKRYIGZBDJ-ZDUSSCGKSA-N 1 0 256.349 2.439 10 0 CEAERO COc1ccc(F)c(NC(=O)c2c[nH+]ccc2N)c1 ZINC000128146367 187353500 /nfs/dbraw/zinc/35/35/00/187353500.db2.gz DLAJYKBEJURJBC-UHFFFAOYSA-N 1 0 261.256 2.064 10 0 CEAERO CC(C)c1cccc(NC(=O)CN2CCC[C@H]2C[NH3+])c1 ZINC000128160447 187354458 /nfs/dbraw/zinc/35/44/58/187354458.db2.gz ATWRWZBCQMKIRD-HNNXBMFYSA-N 1 0 275.396 2.172 10 0 CEAERO CC(C)Oc1ccc(C(=O)N2CCC[C@H]([NH3+])C2)cc1 ZINC000084627040 344087993 /nfs/dbraw/zinc/08/79/93/344087993.db2.gz BNBWSMVKGPYNHJ-ZDUSSCGKSA-N 1 0 262.353 2.037 10 0 CEAERO CN(C)C(=O)CCC[C@@H]([NH3+])CSc1ccccc1 ZINC000113693551 344277425 /nfs/dbraw/zinc/27/74/25/344277425.db2.gz MRNNNPBPFGOAQH-GFCCVEGCSA-N 1 0 266.410 2.365 10 0 CEAERO O=C1CC2(CC[NH2+]CC2)Oc2cccc(Cl)c21 ZINC000116606417 344287442 /nfs/dbraw/zinc/28/74/42/344287442.db2.gz TVNFGVHIKGVCFP-UHFFFAOYSA-N 1 0 251.713 2.427 10 0 CEAERO C[C@]1(C(=O)NC2CC(c3ccccc3)C2)CCC[NH2+]1 ZINC000120541568 344298553 /nfs/dbraw/zinc/29/85/53/344298553.db2.gz HMMUHNPPRUXUPN-ZBCRRDGASA-N 1 0 258.365 2.191 10 0 CEAERO [NH2+]=C1NC[C@H](c2ccc(Cl)cc2Br)N1 ZINC000126936835 344327218 /nfs/dbraw/zinc/32/72/18/344327218.db2.gz OOWXRJVYDPWDHA-MRVPVSSYSA-N 1 0 274.549 2.062 10 0 CEAERO C[C@@]1(CNc2ncnc3ccccc32)CCC[NH2+]C1 ZINC000129297523 344342389 /nfs/dbraw/zinc/34/23/89/344342389.db2.gz XHVZJSMHBZVYKF-OAHLLOKOSA-N 1 0 256.353 2.431 10 0 CEAERO CCC1CCC(CNC(=O)C(C)(C)N2CC[NH2+]CC2)CC1 ZINC000129669852 344346329 /nfs/dbraw/zinc/34/63/29/344346329.db2.gz NNPPNSXTSJUSOH-UHFFFAOYSA-N 1 0 295.471 2.003 10 0 CEAERO CC(=O)[C@@H]1C[C@H](C(=O)N[C@H](CC(C)C)C[NH+](C)C)C1(C)C ZINC000129849508 344347680 /nfs/dbraw/zinc/34/76/80/344347680.db2.gz FJRCZOWGJBMFOF-QLFBSQMISA-N 1 0 296.455 2.330 10 0 CEAERO [NH3+]C[C@H](F)Cc1ccc(F)c(Br)c1 ZINC000158054684 344449601 /nfs/dbraw/zinc/44/96/01/344449601.db2.gz BVAZGPATPNBMPL-SSDOTTSWSA-N 1 0 250.086 2.428 10 0 CEAERO CCSCC[C@@H](C)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000160198765 344457555 /nfs/dbraw/zinc/45/75/55/344457555.db2.gz DRWBKQBDPZTQNC-VXGBXAGGSA-N 1 0 258.431 2.024 10 0 CEAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H]1c1cccc(CO)c1 ZINC000167202321 344478069 /nfs/dbraw/zinc/47/80/69/344478069.db2.gz XLHJWMHMSDFWFR-CQSZACIVSA-N 1 0 292.379 2.060 10 0 CEAERO C[C@@H]([NH3+])C[C@H](C)Nc1nnc(C(F)(F)F)s1 ZINC000168120769 344479731 /nfs/dbraw/zinc/47/97/31/344479731.db2.gz XXQGTFOOVZJUTO-UHNVWZDZSA-N 1 0 254.281 2.095 10 0 CEAERO CCc1nc(N2CCC(OCC(C)C)CC2)cc(N)[nH+]1 ZINC000170084474 344484126 /nfs/dbraw/zinc/48/41/26/344484126.db2.gz MQARDHLNPRUJCE-UHFFFAOYSA-N 1 0 278.400 2.263 10 0 CEAERO OC[C@]1(Cc2ccc(Br)s2)CCC[NH2+]1 ZINC000215620965 344534298 /nfs/dbraw/zinc/53/42/98/344534298.db2.gz CYUGFJBSPOKTQZ-SNVBAGLBSA-N 1 0 276.199 2.168 10 0 CEAERO [NH3+]Cc1cccc(CN2C(=O)c3ccccc3C2=O)c1F ZINC000221857653 344540105 /nfs/dbraw/zinc/54/01/05/344540105.db2.gz OMSWILDMGYYYKQ-UHFFFAOYSA-N 1 0 284.290 2.081 10 0 CEAERO CC(C)[NH+]1CCN(CCOc2ccc(N)cc2Cl)CC1 ZINC000224888090 344544896 /nfs/dbraw/zinc/54/48/96/344544896.db2.gz VUKITGIGVVTUHH-UHFFFAOYSA-N 1 0 297.830 2.327 10 0 CEAERO C[C@@](O)(C[C@@H]1CCCC[NH2+]1)C(F)(F)Br ZINC000225664672 344547458 /nfs/dbraw/zinc/54/74/58/344547458.db2.gz RPLMUNUGPWJVLG-JGVFFNPUSA-N 1 0 272.133 2.257 10 0 CEAERO Cc1ccc(Cl)c(NC(=O)C(C)(C)N2CC[NH2+]CC2)c1 ZINC000226306831 344549185 /nfs/dbraw/zinc/54/91/85/344549185.db2.gz WBNSHEQHKOINTH-UHFFFAOYSA-N 1 0 295.814 2.271 10 0 CEAERO Cc1cc(C)cc(OCC[N@@H+]2CC[C@@H](CCO)C2)c1 ZINC000227573045 344554684 /nfs/dbraw/zinc/55/46/84/344554684.db2.gz HJXJFWTVWSFUDO-HNNXBMFYSA-N 1 0 263.381 2.387 10 0 CEAERO Cc1cc(C)nc(N2CCc3ccccc3[C@H]2C[NH3+])n1 ZINC000227724413 344556351 /nfs/dbraw/zinc/55/63/51/344556351.db2.gz PSZDHMMJIDEPRO-OAHLLOKOSA-N 1 0 268.364 2.156 10 0 CEAERO CCCCOC[C@H](O)C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000227891851 344557412 /nfs/dbraw/zinc/55/74/12/344557412.db2.gz MCJFANAGPDKQAZ-IAGOWNOFSA-N 1 0 277.408 2.311 10 0 CEAERO NC1=[NH+]C[C@H](c2cc(Br)c(Cl)s2)N1 ZINC000228001170 344558091 /nfs/dbraw/zinc/55/80/91/344558091.db2.gz ZOXGCWTVXZFSOZ-SCSAIBSYSA-N 1 0 280.578 2.123 10 0 CEAERO C[C@H]([NH3+])CNc1ncc(Br)cc1Cl ZINC000235489654 344591590 /nfs/dbraw/zinc/59/15/90/344591590.db2.gz YIQCLWQMZSUPJM-YFKPBYRVSA-N 1 0 264.554 2.257 10 0 CEAERO [NH3+]CCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000232196743 344576655 /nfs/dbraw/zinc/57/66/55/344576655.db2.gz BNLFNZASBITJAU-UHFFFAOYSA-N 1 0 277.549 2.390 10 0 CEAERO Cc1cc(I)ccc1N[C@@H](C)C[NH3+] ZINC000235111436 344588815 /nfs/dbraw/zinc/58/88/15/344588815.db2.gz RVIMAZSMMUQBEW-QMMMGPOBSA-N 1 0 290.148 2.359 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCCNC1=O)c1ccc(Cl)s1 ZINC000050394897 362418310 /nfs/dbraw/zinc/41/83/10/362418310.db2.gz DDVMQLUJQIKORM-HTQZYQBOSA-N 1 0 258.774 2.331 10 0 CEAERO OCCC[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccco2)o1 ZINC000052761951 362474300 /nfs/dbraw/zinc/47/43/00/362474300.db2.gz ICEYFULRWGGCJT-LLVKDONJSA-N 1 0 277.324 2.067 10 0 CEAERO OCCC[C@H]1CCC[N@@H+]1Cc1nc(-c2ccccc2)no1 ZINC000052762811 362474323 /nfs/dbraw/zinc/47/43/23/362474323.db2.gz BQULNRODNAOGTE-CQSZACIVSA-N 1 0 287.363 2.474 10 0 CEAERO C[C@@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)C(C)(C)C ZINC000246747198 344618048 /nfs/dbraw/zinc/61/80/48/344618048.db2.gz ZBFXZZXBGQFWPI-JHJVBQTASA-N 1 0 269.433 2.403 10 0 CEAERO [NH3+]Cc1cc(OC(F)(F)F)c(Br)cn1 ZINC000238674553 344607760 /nfs/dbraw/zinc/60/77/60/344607760.db2.gz JPKVITORAGYSHD-UHFFFAOYSA-N 1 0 271.036 2.201 10 0 CEAERO CCO[C@H](CCNC(=O)[C@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000262242272 344654306 /nfs/dbraw/zinc/65/43/06/344654306.db2.gz BPARABVTNPCGGS-MELADBBJSA-N 1 0 270.417 2.071 10 0 CEAERO CCSCC[C@H](C)N(C)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000262635007 344655416 /nfs/dbraw/zinc/65/54/16/344655416.db2.gz MNHYGMFHEDHZAO-TUAOUCFPSA-N 1 0 258.431 2.104 10 0 CEAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCCc2ccccc21 ZINC000252591135 344640219 /nfs/dbraw/zinc/64/02/19/344640219.db2.gz DITSPDZOOMLYJU-WHOFXGATSA-N 1 0 258.365 2.178 10 0 CEAERO C[C@H]1CCN(c2ncnc3ccccc32)C[C@H]1C[NH3+] ZINC000253177684 344643427 /nfs/dbraw/zinc/64/34/27/344643427.db2.gz BCCAUQHDNSVZSA-NWDGAFQWSA-N 1 0 256.353 2.051 10 0 CEAERO C[C@@H]([NH3+])[C@H](C)Nc1nc(Br)cs1 ZINC000307146923 344720627 /nfs/dbraw/zinc/72/06/27/344720627.db2.gz OBKFWVWTVTWOID-UHNVWZDZSA-N 1 0 250.165 2.053 10 0 CEAERO O[C@H](c1cscc1Br)[C@H]1C=CC[NH2+]1 ZINC000307454152 344722780 /nfs/dbraw/zinc/72/27/80/344722780.db2.gz VZWQVCWKLQHEFR-RKDXNWHRSA-N 1 0 260.156 2.072 10 0 CEAERO Fc1cc(Br)cc(C2=[NH+]CCCN2)c1 ZINC000306701595 344716643 /nfs/dbraw/zinc/71/66/43/344716643.db2.gz GREMMTDKMBPQIO-UHFFFAOYSA-N 1 0 257.106 2.328 10 0 CEAERO C[C@@H]1CC[C@H](CCN2C(=O)c3ccccc3C2=O)[NH2+]C1 ZINC000306801923 344717478 /nfs/dbraw/zinc/71/74/78/344717478.db2.gz SFCPUUQKAZMMAM-VXGBXAGGSA-N 1 0 272.348 2.061 10 0 CEAERO C[C@@H]([NH3+])[C@@](C)(O)c1cscc1Br ZINC000306906840 344718179 /nfs/dbraw/zinc/71/81/79/344718179.db2.gz CJBJOVIXNJBGKS-SVGQVSJJSA-N 1 0 250.161 2.065 10 0 CEAERO C[N@H+](C[C@@H]1CCc2nccn2C1)C[C@](C)(O)c1ccccc1 ZINC000328628024 344756738 /nfs/dbraw/zinc/75/67/38/344756738.db2.gz GUKVZQXAUGKBDP-YJBOKZPZSA-N 1 0 299.418 2.285 10 0 CEAERO COC[C@](C)([NH3+])Cc1cc(OC)ccc1Br ZINC000083709500 178722458 /nfs/dbraw/zinc/72/24/58/178722458.db2.gz AAEXHMZIIKACNV-GFCCVEGCSA-N 1 0 288.185 2.364 10 0 CEAERO [NH3+]C[C@@]1(Nc2cccc(Br)c2)CCCOC1 ZINC000083765214 178743698 /nfs/dbraw/zinc/74/36/98/178743698.db2.gz RRQXACMHJKGGJM-LBPRGKRZSA-N 1 0 285.185 2.369 10 0 CEAERO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1C[C@@H]1CCC[C@@H](O)C1 ZINC000380641150 344823532 /nfs/dbraw/zinc/82/35/32/344823532.db2.gz NBKAFFFQZAKSMC-MGPQQGTHSA-N 1 0 283.412 2.344 10 0 CEAERO C[C@H](O)[C@@](C)(C[NH3+])Cc1cccc(Br)c1 ZINC000083777630 178746321 /nfs/dbraw/zinc/74/63/21/178746321.db2.gz NXVOGSONYAYPEJ-JOYOIKCWSA-N 1 0 272.186 2.337 10 0 CEAERO COc1cc(N[C@H](C)[C@H](C)[NH3+])c([N+](=O)[O-])cc1C ZINC000381719553 344825362 /nfs/dbraw/zinc/82/53/62/344825362.db2.gz JNDIBDXMHZIYDP-DTWKUNHWSA-N 1 0 253.302 2.059 10 0 CEAERO COc1cc(N[C@@H](C)[C@@H](C)[NH3+])c([N+](=O)[O-])cc1C ZINC000381719550 344825364 /nfs/dbraw/zinc/82/53/64/344825364.db2.gz JNDIBDXMHZIYDP-BDAKNGLRSA-N 1 0 253.302 2.059 10 0 CEAERO CCOC(=O)CC[C@H](O)C[NH2+][C@@H](C)c1cccs1 ZINC000385697737 344831026 /nfs/dbraw/zinc/83/10/26/344831026.db2.gz PGQMFUOWLOUVBS-QWRGUYRKSA-N 1 0 271.382 2.103 10 0 CEAERO CC[C@@H]1CN(c2c(F)cccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000388039731 344833132 /nfs/dbraw/zinc/83/31/32/344833132.db2.gz YMDXOPXQNQMTFZ-KOLCDFICSA-N 1 0 267.304 2.298 10 0 CEAERO C[C@]1(C(=O)NC[C@H]2CC3CCC2CC3)CCCC[NH2+]1 ZINC000400130398 344860913 /nfs/dbraw/zinc/86/09/13/344860913.db2.gz URPTWMSWWCDTDV-UWTIDYAISA-N 1 0 264.413 2.461 10 0 CEAERO OCCN1CCC([NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000399069059 344857254 /nfs/dbraw/zinc/85/72/54/344857254.db2.gz CYPZEQNZPXAAFX-QGZVFWFLSA-N 1 0 274.408 2.110 10 0 CEAERO CCc1nc(CN(C)C(=O)[C@@H]2CCC[NH2+][C@@H]2C)cs1 ZINC000395253301 344844114 /nfs/dbraw/zinc/84/41/14/344844114.db2.gz ONIWLQADENOAFO-ZYHUDNBSSA-N 1 0 281.425 2.052 10 0 CEAERO CCC[C@@H](C[S@](=O)c1ccc(F)cc1F)[NH2+]C ZINC000084032285 178773327 /nfs/dbraw/zinc/77/33/27/178773327.db2.gz DKZSTJOXZHGWJG-DYZYQPBXSA-N 1 0 261.337 2.461 10 0 CEAERO C[NH2+][C@@H](C[S@](=O)c1ccc(OC)cc1)C(C)(C)C ZINC000084002321 178770157 /nfs/dbraw/zinc/77/01/57/178770157.db2.gz SJPQBMYVTSIYRQ-SCLBCKFNSA-N 1 0 269.410 2.437 10 0 CEAERO Nc1cc[nH+]cc1C(=O)NCCCc1ccccc1 ZINC000127298131 187294833 /nfs/dbraw/zinc/29/48/33/187294833.db2.gz BOPHTURXYGKZGI-UHFFFAOYSA-N 1 0 255.321 2.026 10 0 CEAERO CCCC[S@](=O)C[C@@H]([NH3+])c1ccccc1OC ZINC000084038974 178776524 /nfs/dbraw/zinc/77/65/24/178776524.db2.gz VHAKRMHPCMFEJE-SJKOYZFVSA-N 1 0 255.383 2.244 10 0 CEAERO C[C@@]1(Nc2ncc(C(F)(F)F)cn2)CCC[C@@H]1[NH3+] ZINC000584614493 344965188 /nfs/dbraw/zinc/96/51/88/344965188.db2.gz SZJNKKUDYWPWKO-WCBMZHEXSA-N 1 0 260.263 2.177 10 0 CEAERO CCc1cc(C)cc(OC[C@@H](O)C[NH2+]C(C)C)c1 ZINC000584627815 344968960 /nfs/dbraw/zinc/96/89/60/344968960.db2.gz GIOKTZOFYXVPAH-AWEZNQCLSA-N 1 0 251.370 2.295 10 0 CEAERO CCOC[C@@H]([NH3+])Cc1ccc(Br)cc1 ZINC000084063952 178783412 /nfs/dbraw/zinc/78/34/12/178783412.db2.gz BOBUSCXNFYEHJP-NSHDSACASA-N 1 0 258.159 2.355 10 0 CEAERO C[C@@H]([NH3+])c1cccc(S[C@H](C)C(=O)N(C)C)c1 ZINC000084122327 178797354 /nfs/dbraw/zinc/79/73/54/178797354.db2.gz WRMCDCNWWOARCG-NXEZZACHSA-N 1 0 252.383 2.275 10 0 CEAERO CC(=O)Nc1cc(NC(=O)CC2([NH3+])CCCC2)ccc1F ZINC000084169058 178813236 /nfs/dbraw/zinc/81/32/36/178813236.db2.gz UUCGYCSERBEALD-UHFFFAOYSA-N 1 0 293.342 2.384 10 0 CEAERO C[NH2+][C@H](C)C(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000054073337 362509104 /nfs/dbraw/zinc/50/91/04/362509104.db2.gz BSUFWGDSMDGVPM-KCJUWKMLSA-N 1 0 268.357 2.087 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)N[C@H]1CCc2ccccc2C1 ZINC000054292817 362523072 /nfs/dbraw/zinc/52/30/72/362523072.db2.gz LCNDKAHQIFRHOS-CJNGLKHVSA-N 1 0 272.392 2.050 10 0 CEAERO COc1cc(F)ccc1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054291723 362523126 /nfs/dbraw/zinc/52/31/26/362523126.db2.gz QEPUOPURRVZDLE-SNVBAGLBSA-N 1 0 266.316 2.163 10 0 CEAERO CC1CCC(N(C)C(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000054291331 362523173 /nfs/dbraw/zinc/52/31/73/362523173.db2.gz VBEMCTFUIPRLPB-ROKHWSDSSA-N 1 0 252.402 2.413 10 0 CEAERO CC(=O)Nc1cc(NC(=O)C[C@@H]2CCC[NH2+]C2)ccc1F ZINC000054307549 362526604 /nfs/dbraw/zinc/52/66/04/362526604.db2.gz HWXNFILEDYRMDI-NSHDSACASA-N 1 0 293.342 2.112 10 0 CEAERO [NH3+]CCCCS(=O)(=O)c1ccc2ccccc2c1 ZINC000084270591 178837810 /nfs/dbraw/zinc/83/78/10/178837810.db2.gz SPUXEMCXFDGQPK-UHFFFAOYSA-N 1 0 263.362 2.352 10 0 CEAERO CCC[C@H](C)C[C@H](C[C@@H]1CCS(=O)(=O)C1)[NH2+]C ZINC000097064361 185520524 /nfs/dbraw/zinc/52/05/24/185520524.db2.gz GSIHSISPWLCRPD-RWMBFGLXSA-N 1 0 261.431 2.226 10 0 CEAERO CC[NH2+][C@H](C[C@@H](C)CC)C[C@@H]1CCS(=O)(=O)C1 ZINC000097065823 185520643 /nfs/dbraw/zinc/52/06/43/185520643.db2.gz CUCBKXWGXQTVHK-RWMBFGLXSA-N 1 0 261.431 2.226 10 0 CEAERO [NH3+]C[C@@H]1CCCCC[C@@H]1S(=O)(=O)CC1CCCC1 ZINC000084272676 178839400 /nfs/dbraw/zinc/83/94/00/178839400.db2.gz FURLJJQDOVRXFS-KBPBESRZSA-N 1 0 273.442 2.499 10 0 CEAERO Cc1ccc(S(=O)(=O)[C@@H](CC[NH3+])C(F)(F)F)cc1C ZINC000084268197 178835320 /nfs/dbraw/zinc/83/53/20/178835320.db2.gz XOVDBQXUGCHVKI-NSHDSACASA-N 1 0 295.326 2.357 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)CSCc1ccc(F)cc1 ZINC000592332203 345343189 /nfs/dbraw/zinc/34/31/89/345343189.db2.gz GCRYOVSRINGWHW-SMDDNHRTSA-N 1 0 296.411 2.316 10 0 CEAERO CCOC(=O)[C@](C)(N)C[C@H](C)[NH+]1CCC(CC)CC1 ZINC000084350148 178862721 /nfs/dbraw/zinc/86/27/21/178862721.db2.gz HDFYBORNYSXWCC-SWLSCSKDSA-N 1 0 270.417 2.168 10 0 CEAERO C[NH2+][C@@](C)(C[C@H](C)Sc1cc(F)ccc1F)C(N)=O ZINC000084350467 178863325 /nfs/dbraw/zinc/86/33/25/178863325.db2.gz BFGAOQNLLYGDSF-SDBXPKJASA-N 1 0 288.363 2.299 10 0 CEAERO Cc1nn(C(C)C)c(N2CC[NH+](C(C)(C)C)CC2)c1N ZINC000097144442 185547328 /nfs/dbraw/zinc/54/73/28/185547328.db2.gz LICCVDLMCWJAJD-UHFFFAOYSA-N 1 0 279.432 2.275 10 0 CEAERO Cc1nn(C(C)C)c(N2CC[C@@H]([NH+]3CCCC3)C2)c1N ZINC000097145714 185548315 /nfs/dbraw/zinc/54/83/15/185548315.db2.gz YOUFNDZJUSKICE-CYBMUJFWSA-N 1 0 277.416 2.029 10 0 CEAERO CC(C)CCO[C@@H]1CC[N@H+](C[C@H](O)COC(C)(C)C)C1 ZINC000083689019 539472417 /nfs/dbraw/zinc/47/24/17/539472417.db2.gz BZJTXCALBONFEL-LSDHHAIUSA-N 1 0 287.444 2.299 10 0 CEAERO CC[NH2+][C@@H]1CC[C@H](S(=O)(=O)c2cc(F)ccc2F)C1 ZINC000084433667 178887735 /nfs/dbraw/zinc/88/77/35/178887735.db2.gz RICILLMHORIUGN-MNOVXSKESA-N 1 0 289.347 2.269 10 0 CEAERO Cc1cc(-c2nnc(C[N@@H+]3CC[C@H](CCO)C3)o2)c(C)o1 ZINC000125872750 232208604 /nfs/dbraw/zinc/20/86/04/232208604.db2.gz WUANIOQNNNBKJW-GFCCVEGCSA-N 1 0 291.351 2.151 10 0 CEAERO Cc1ccc(S(=O)(=O)[C@@H]2CCC[C@H]([NH3+])C2)c(C)c1 ZINC000084429930 178886055 /nfs/dbraw/zinc/88/60/55/178886055.db2.gz JQEFNMVZCPSZSB-QWHCGFSZSA-N 1 0 267.394 2.347 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCCCCC2)C1 ZINC000057870586 362598033 /nfs/dbraw/zinc/59/80/33/362598033.db2.gz PEJBPIDMJXRFFT-ZDUSSCGKSA-N 1 0 253.390 2.056 10 0 CEAERO CC(C)(C)[NH2+]C[C@](C)(O)Cc1ccncc1Cl ZINC000097210693 185564450 /nfs/dbraw/zinc/56/44/50/185564450.db2.gz ZFEKWAZXDRFNFI-CYBMUJFWSA-N 1 0 256.777 2.417 10 0 CEAERO C[NH2+]C[C@@H](O)c1cc(Cl)ccc1Br ZINC000084639432 178907726 /nfs/dbraw/zinc/90/77/26/178907726.db2.gz GEACCKLEVGRLJD-SECBINFHSA-N 1 0 264.550 2.355 10 0 CEAERO CCn1nc(C)c(Cl)c1C[C@H]([NH3+])COC(C)C ZINC000097276452 185576362 /nfs/dbraw/zinc/57/63/62/185576362.db2.gz JECDXVQFKWAIJK-JTQLQIEISA-N 1 0 259.781 2.160 10 0 CEAERO CCc1cc(C[C@H]([NH2+]C)c2cncc(C)c2)n(C)n1 ZINC000097277090 185577039 /nfs/dbraw/zinc/57/70/39/185577039.db2.gz PEPYQHQCBZRSSZ-HNNXBMFYSA-N 1 0 258.369 2.189 10 0 CEAERO CCc1cc([C@H]([NH3+])Cc2nn(C)c3ccccc23)n(C)n1 ZINC000097279270 185577443 /nfs/dbraw/zinc/57/74/43/185577443.db2.gz HBNKDCWEHKGHAU-CYBMUJFWSA-N 1 0 283.379 2.112 10 0 CEAERO CCc1cc(C[C@H]([NH3+])c2cncc(F)c2)n(CC)n1 ZINC000097280016 185577587 /nfs/dbraw/zinc/57/75/87/185577587.db2.gz UUFLGDZNVCIYRB-AWEZNQCLSA-N 1 0 262.332 2.242 10 0 CEAERO COC[C@H](C)C[C@H]([NH3+])c1cc(OC)cc(OC)c1 ZINC000097312010 185584788 /nfs/dbraw/zinc/58/47/88/185584788.db2.gz LWTTXXQBMAASFO-YGRLFVJLSA-N 1 0 253.342 2.376 10 0 CEAERO CCc1ccc(C[C@@H](C[C@H](C)COC)[NH2+]C)nc1 ZINC000097313740 185585292 /nfs/dbraw/zinc/58/52/92/185585292.db2.gz GWBCQZWBQGQVMY-SWLSCSKDSA-N 1 0 250.386 2.447 10 0 CEAERO CCC[NH2+][C@@H](Cc1nccn1C)C[C@@H](C)COC ZINC000097309887 185583583 /nfs/dbraw/zinc/58/35/83/185583583.db2.gz CGJCYJRXIVKZES-CHWSQXEVSA-N 1 0 253.390 2.003 10 0 CEAERO [NH3+][C@H](c1cnsn1)[C@@H]1CCOC2(CCSCC2)C1 ZINC000097340484 185587771 /nfs/dbraw/zinc/58/77/71/185587771.db2.gz PPSFVCLFJWPSJT-KOLCDFICSA-N 1 0 285.438 2.230 10 0 CEAERO C[NH2+][C@H](Cc1c(C)nn(C)c1C)c1ccc2c(c1)CCO2 ZINC000097391304 185597212 /nfs/dbraw/zinc/59/72/12/185597212.db2.gz ISNUPPBIICCIRG-MRXNPFEDSA-N 1 0 285.391 2.475 10 0 CEAERO CC(C)([NH3+])CC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000084168063 539499872 /nfs/dbraw/zinc/49/98/72/539499872.db2.gz OIMKDWLAYFBXHQ-DTWKUNHWSA-N 1 0 266.307 2.351 10 0 CEAERO CC(C)Oc1ccc([C@@](C)(CCO)[C@H](C)[NH3+])cc1 ZINC000097435088 185603030 /nfs/dbraw/zinc/60/30/30/185603030.db2.gz UIQXFQRBUBGGPR-WFASDCNBSA-N 1 0 251.370 2.461 10 0 CEAERO CCc1nnc(C[N@@H+]2CC[C@H](CC(C)C)C2)n1C ZINC000173909825 232285725 /nfs/dbraw/zinc/28/57/25/232285725.db2.gz LLJAPGXBDAIQPY-GFCCVEGCSA-N 1 0 250.390 2.246 10 0 CEAERO C[C@H](C[NH2+][C@@H]1CCC(=O)N[C@@H]1C)C1CCCCC1 ZINC000339160464 214989508 /nfs/dbraw/zinc/98/95/08/214989508.db2.gz LYARNALTHFYIQJ-YRGRVCCFSA-N 1 0 252.402 2.460 10 0 CEAERO CC[C@H](C)n1ccc(CN2[C@@H](C)C[NH2+]C[C@@H]2C)n1 ZINC000085180955 178964463 /nfs/dbraw/zinc/96/44/63/178964463.db2.gz QIOKUHNURGGFEA-AVGNSLFASA-N 1 0 250.390 2.036 10 0 CEAERO CC[C@H]1CN(c2cc(Cl)ccc2C(N)=O)[C@@H](CC)C[NH2+]1 ZINC000086466357 136512528 /nfs/dbraw/zinc/51/25/28/136512528.db2.gz QXEVAMGFKDQGAR-RYUDHWBXSA-N 1 0 295.814 2.406 10 0 CEAERO CCc1ccc(N(C)C[C@@](C)(CO)[NH2+]C(C)C)cc1 ZINC000085214823 178978920 /nfs/dbraw/zinc/97/89/20/178978920.db2.gz URFVAWXTFVLKFW-INIZCTEOSA-N 1 0 264.413 2.434 10 0 CEAERO CC[NH2+][C@](C)(CO)CCN1c2ccccc2C[C@@H]1C ZINC000085215833 178979758 /nfs/dbraw/zinc/97/97/58/178979758.db2.gz DAVNGPSMHKLCMV-BBRMVZONSA-N 1 0 262.397 2.188 10 0 CEAERO COc1cccc([C@@H](NN)C(C)(C)[NH+]2CCCC2)c1 ZINC000097581298 185629821 /nfs/dbraw/zinc/62/98/21/185629821.db2.gz VYZSSYKKZMEUCI-CQSZACIVSA-N 1 0 263.385 2.074 10 0 CEAERO Cc1ccc(OCC[C@H](CO)[NH2+]C(C)C)c(C)c1 ZINC000085283473 179001575 /nfs/dbraw/zinc/00/15/75/179001575.db2.gz JEAJUGYALGAYOX-CQSZACIVSA-N 1 0 251.370 2.431 10 0 CEAERO C[NH2+][C@](C)(CO)C[C@@H](C)Oc1cccc(C)c1C ZINC000085283871 179001674 /nfs/dbraw/zinc/00/16/74/179001674.db2.gz YHZJUIWFVXSAIV-DOMZBBRYSA-N 1 0 251.370 2.431 10 0 CEAERO CCOc1ccccc1OCC[C@H](CO)[NH2+]C(C)C ZINC000085283774 179001737 /nfs/dbraw/zinc/00/17/37/179001737.db2.gz CJJPQGAKTXLTDK-CYBMUJFWSA-N 1 0 267.369 2.213 10 0 CEAERO C[NH2+][C@](C)(CO)C[C@H](C)Oc1cc(C)cc(C)c1 ZINC000085284774 179002778 /nfs/dbraw/zinc/00/27/78/179002778.db2.gz AFQHQOKZAVTXAJ-ZFWWWQNUSA-N 1 0 251.370 2.431 10 0 CEAERO C[C@](CO)(CCOc1ccccc1F)[NH2+]C1CC1 ZINC000085284454 179001857 /nfs/dbraw/zinc/00/18/57/179001857.db2.gz DXPBSQSAJMLXDI-CQSZACIVSA-N 1 0 253.317 2.098 10 0 CEAERO Cc1nn([C@@H](C)C[C@](C)(CO)[NH2+]C2CC2)cc1Cl ZINC000085264861 178995154 /nfs/dbraw/zinc/99/51/54/178995154.db2.gz SDWCVNQQZMINJY-TVQRCGJNSA-N 1 0 271.792 2.299 10 0 CEAERO CC[NH2+][C@](CO)(COCC1CCCCC1)C1CC1 ZINC000085265249 178995422 /nfs/dbraw/zinc/99/54/22/178995422.db2.gz MYBKTVKANHXBQQ-OAHLLOKOSA-N 1 0 255.402 2.334 10 0 CEAERO Cc1ccnn1CCCC[C@@](C)(CO)[NH2+]C(C)C ZINC000085264753 178995568 /nfs/dbraw/zinc/99/55/68/178995568.db2.gz QCAXYDQUZQTVHI-AWEZNQCLSA-N 1 0 253.390 2.111 10 0 CEAERO Cc1ccc(OCC[C@H](CO)[NH2+]C(C)C)cc1C ZINC000085284703 179002688 /nfs/dbraw/zinc/00/26/88/179002688.db2.gz YGDPCOFRVFTLQV-CQSZACIVSA-N 1 0 251.370 2.431 10 0 CEAERO C[C@H]1CCCC[C@H]1OCC[C@@](C)(CO)[NH2+]C1CC1 ZINC000085269327 178997772 /nfs/dbraw/zinc/99/77/72/178997772.db2.gz AZYYDPHSJMXNMB-CFVMTHIKSA-N 1 0 255.402 2.475 10 0 CEAERO CCCOc1ccc(OCC[C@@H](CO)[NH2+]CC)cc1 ZINC000085286170 179003835 /nfs/dbraw/zinc/00/38/35/179003835.db2.gz PXGLWQLIHPVINT-ZDUSSCGKSA-N 1 0 267.369 2.215 10 0 CEAERO CCC[NH2+][C@@](CO)(COCCC)c1ccccc1 ZINC000085286603 179003937 /nfs/dbraw/zinc/00/39/37/179003937.db2.gz HUNHNFBYKYBPFO-HNNXBMFYSA-N 1 0 251.370 2.300 10 0 CEAERO C[C@H]1CC[C@@H](OCC[C@@H](CO)[NH2+]C2CC2)C[C@@H]1C ZINC000085287217 179004761 /nfs/dbraw/zinc/00/47/61/179004761.db2.gz UYZMVGZNRBZFDT-NZBPQXDJSA-N 1 0 255.402 2.331 10 0 CEAERO Cc1ccnc(SC[C@](CO)([NH2+]C(C)C)C2CC2)n1 ZINC000085287820 179004852 /nfs/dbraw/zinc/00/48/52/179004852.db2.gz ZDGVZFPJYZTJIW-AWEZNQCLSA-N 1 0 281.425 2.016 10 0 CEAERO Cc1ccccc1CSC[C@H](CO)[NH2+]C1CC1 ZINC000085289350 179006242 /nfs/dbraw/zinc/00/62/42/179006242.db2.gz WXKFOCZQPYKCKY-AWEZNQCLSA-N 1 0 251.395 2.341 10 0 CEAERO CC[NH2+][C@@H](CO)CCSc1ccc(OC)cc1 ZINC000085291833 179007078 /nfs/dbraw/zinc/00/70/78/179007078.db2.gz OYXDCYBSZILIQX-LLVKDONJSA-N 1 0 255.383 2.148 10 0 CEAERO CC[NH2+][C@@](C)(CO)CSc1ccccc1OC ZINC000085297600 179009420 /nfs/dbraw/zinc/00/94/20/179009420.db2.gz GYHUBOMWBKCWPP-ZDUSSCGKSA-N 1 0 255.383 2.148 10 0 CEAERO CCC[NH2+][C@@](C)(CO)COc1cc(C)cc(C)c1 ZINC000085284804 179002899 /nfs/dbraw/zinc/00/28/99/179002899.db2.gz WJLFQADJFLAMIS-HNNXBMFYSA-N 1 0 251.370 2.433 10 0 CEAERO NC[C@](O)(C[NH+]1CCCCCCC1)c1ccccc1 ZINC000085303996 179011193 /nfs/dbraw/zinc/01/11/93/179011193.db2.gz SPIWLXOGOPJPBY-INIZCTEOSA-N 1 0 262.397 2.099 10 0 CEAERO CCN(CCC[C@](C)(O)C[NH3+])c1ccccc1C ZINC000085303914 179011355 /nfs/dbraw/zinc/01/13/55/179011355.db2.gz VVFBBANUCDSBNY-HNNXBMFYSA-N 1 0 250.386 2.311 10 0 CEAERO C[C@H](C[C@](C)(O)C[NH3+])Oc1ccc2c(c1)CCCC2 ZINC000085305458 179012093 /nfs/dbraw/zinc/01/20/93/179012093.db2.gz URGCUGRCISKKRH-WBMJQRKESA-N 1 0 263.381 2.433 10 0 CEAERO C[C@@H](C[C@](C)(O)C[NH3+])Oc1ccc2c(c1)CCCC2 ZINC000085305456 179012118 /nfs/dbraw/zinc/01/21/18/179012118.db2.gz URGCUGRCISKKRH-LRDDRELGSA-N 1 0 263.381 2.433 10 0 CEAERO CCOc1cccc(OCCCC[C@](C)(O)C[NH3+])c1 ZINC000085304919 179012209 /nfs/dbraw/zinc/01/22/09/179012209.db2.gz NZYJPBZPYOBCII-HNNXBMFYSA-N 1 0 267.369 2.344 10 0 CEAERO [NH3+]C[C@@](O)(CO[C@@H]1CCCc2ccccc21)C1CC1 ZINC000085306113 179012408 /nfs/dbraw/zinc/01/24/08/179012408.db2.gz MNLJHGWTCJFKIX-HZPDHXFCSA-N 1 0 261.365 2.180 10 0 CEAERO CCc1nn(C)c(CS[C@H](C)C[NH3+])c1Br ZINC000085306579 179012739 /nfs/dbraw/zinc/01/27/39/179012739.db2.gz AKLISPKWPHJHJW-SSDOTTSWSA-N 1 0 292.246 2.325 10 0 CEAERO CCN(CCC[C@](C)(O)C[NH3+])c1cccc(C)c1 ZINC000085300502 179010138 /nfs/dbraw/zinc/01/01/38/179010138.db2.gz NABKAVICNFMBMK-HNNXBMFYSA-N 1 0 250.386 2.311 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1c1nc(Cc2ccc(O)cc2)no1 ZINC000085325405 179018341 /nfs/dbraw/zinc/01/83/41/179018341.db2.gz AUGFXEASEWYBLU-CHWSQXEVSA-N 1 0 273.336 2.351 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)OCCOc1ccccc1 ZINC000085331108 179020978 /nfs/dbraw/zinc/02/09/78/179020978.db2.gz JELIPACHDZMACH-KGLIPLIRSA-N 1 0 263.337 2.126 10 0 CEAERO COc1ccc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])cc1Cl ZINC000085355449 179030230 /nfs/dbraw/zinc/03/02/30/179030230.db2.gz UDMMGXOHNNCURB-ONGXEEELSA-N 1 0 268.744 2.415 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1cc(F)ccc1F ZINC000085355912 179030312 /nfs/dbraw/zinc/03/03/12/179030312.db2.gz MJNIEQVBLFCXGA-MWLCHTKSSA-N 1 0 254.280 2.421 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1ccc(OC(F)F)cc1 ZINC000085358126 179031193 /nfs/dbraw/zinc/03/11/93/179031193.db2.gz FFLREFXMGZSEQI-GHMZBOCLSA-N 1 0 270.279 2.354 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)Nc1ccccc1OC(F)F ZINC000085358138 179031363 /nfs/dbraw/zinc/03/13/63/179031363.db2.gz KGZQBFYTIXQWRX-BDAKNGLRSA-N 1 0 270.279 2.354 10 0 CEAERO Cc1noc(-c2ccccc2NC(=O)[C@H]2CCC[C@H]2[NH3+])n1 ZINC000085360360 179032394 /nfs/dbraw/zinc/03/23/94/179032394.db2.gz WIZSTSUBJKSZRQ-CMPLNLGQSA-N 1 0 286.335 2.111 10 0 CEAERO COC(=O)c1ccc(Cl)cc1NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085360578 179032475 /nfs/dbraw/zinc/03/24/75/179032475.db2.gz CMOURVIOIDESOK-KOLCDFICSA-N 1 0 296.754 2.193 10 0 CEAERO CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])C2 ZINC000085360894 179032907 /nfs/dbraw/zinc/03/29/07/179032907.db2.gz UDKMPZFTRHDPBI-IPNGBCKKSA-N 1 0 264.413 2.445 10 0 CEAERO C[C@H](NC(=O)[C@H]1CCCC[C@@H]1[NH3+])c1ccc2c(c1)OCO2 ZINC000085361478 179032983 /nfs/dbraw/zinc/03/29/83/179032983.db2.gz VHWHYSSAFUXVFI-DRZSPHRISA-N 1 0 290.363 2.110 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000085361496 179033781 /nfs/dbraw/zinc/03/37/81/179033781.db2.gz STOCVTCQSIOLGH-ZIAGYGMSSA-N 1 0 288.395 2.138 10 0 CEAERO COc1cc(Cl)c(NC(=O)[C@@H]2CCC[C@H]2[NH3+])cc1OC ZINC000085362344 179034139 /nfs/dbraw/zinc/03/41/39/179034139.db2.gz SUVVAVWIHIYMGI-PSASIEDQSA-N 1 0 298.770 2.423 10 0 CEAERO CCOc1cc(F)ccc1NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085364409 179035355 /nfs/dbraw/zinc/03/53/55/179035355.db2.gz QUDAPJKZYDZYDT-MNOVXSKESA-N 1 0 266.316 2.290 10 0 CEAERO CCOc1cc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])ccc1OC ZINC000085364395 179035369 /nfs/dbraw/zinc/03/53/69/179035369.db2.gz XJTJAYBYKAUXDK-VXGBXAGGSA-N 1 0 278.352 2.160 10 0 CEAERO CCC(=O)Nc1cccc(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])c1C ZINC000085364567 179035446 /nfs/dbraw/zinc/03/54/46/179035446.db2.gz VGYMAEOZBWAXPM-NEPJUHHUSA-N 1 0 289.379 2.409 10 0 CEAERO Cc1ccc(-c2noc(-c3cc[nH+]c(NN)c3)n2)cc1 ZINC000085345929 179028364 /nfs/dbraw/zinc/02/83/64/179028364.db2.gz QXJLSXTVEZMZCN-UHFFFAOYSA-N 1 0 267.292 2.393 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000085367666 179037399 /nfs/dbraw/zinc/03/73/99/179037399.db2.gz BBOHVUGGYPCTAR-JSGCOSHPSA-N 1 0 283.375 2.180 10 0 CEAERO C[C@@H](c1ccccc1F)N(C)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085368074 179038110 /nfs/dbraw/zinc/03/81/10/179038110.db2.gz MHIICCAMXGSNES-SUHUHFCYSA-N 1 0 264.344 2.473 10 0 CEAERO Cc1ccc(CN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C(C)C)o1 ZINC000085368830 179038452 /nfs/dbraw/zinc/03/84/52/179038452.db2.gz DHVHAHPWBJWPNR-KGLIPLIRSA-N 1 0 264.369 2.452 10 0 CEAERO Cc1ccc(CN(C(=O)[C@H]2CCC[C@H]2[NH3+])C2CC2)o1 ZINC000085368685 179038482 /nfs/dbraw/zinc/03/84/82/179038482.db2.gz WEMNGIRZOKAMOG-UONOGXRCSA-N 1 0 262.353 2.206 10 0 CEAERO CCN(CCc1ccccc1)C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085368676 179038676 /nfs/dbraw/zinc/03/86/76/179038676.db2.gz LWKGRLCUUHLIGL-HUUCEWRRSA-N 1 0 260.381 2.205 10 0 CEAERO CC(C)N(Cc1cccnc1)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085369169 179038747 /nfs/dbraw/zinc/03/87/47/179038747.db2.gz DPVDVHGJPKOWDM-GJZGRUSLSA-N 1 0 275.396 2.336 10 0 CEAERO Cc1nc(C)c([C@H](C)NC(=O)[C@H]2CCCC[C@@H]2[NH3+])s1 ZINC000085370581 179040572 /nfs/dbraw/zinc/04/05/72/179040572.db2.gz LOLHRFAASIGZCQ-DLOVCJGASA-N 1 0 281.425 2.455 10 0 CEAERO Cc1ccc(OC[C@@H](C)NC(=O)[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000085370570 179040703 /nfs/dbraw/zinc/04/07/03/179040703.db2.gz NBSRXLJLPPRNFY-SNPRPXQTSA-N 1 0 276.380 2.006 10 0 CEAERO C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085372102 179041932 /nfs/dbraw/zinc/04/19/32/179041932.db2.gz DVZKCZCPHNAWGI-QEJZJMRPSA-N 1 0 260.381 2.251 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc2CC1 ZINC000085376225 179044497 /nfs/dbraw/zinc/04/44/97/179044497.db2.gz RTBVRDMRQWAFFL-JKSUJKDBSA-N 1 0 272.392 2.131 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])c1ccccc1F ZINC000085365451 179036328 /nfs/dbraw/zinc/03/63/28/179036328.db2.gz VSMMYXOURNDGIH-NDMJEZRESA-N 1 0 250.317 2.130 10 0 CEAERO O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1CC[NH2+]C1 ZINC000062112213 362707584 /nfs/dbraw/zinc/70/75/84/362707584.db2.gz AYWRPIWYIUBBSD-MRVPVSSYSA-N 1 0 258.243 2.253 10 0 CEAERO CC(C)CO[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C)C2)C1(C)C ZINC000085401091 179051668 /nfs/dbraw/zinc/05/16/68/179051668.db2.gz OOVZQSRMXXFXPH-MCIONIFRSA-N 1 0 254.418 2.120 10 0 CEAERO C[NH2+]CCc1ccc(COc2c(C)nn(C)c2C)cc1 ZINC000097811122 185670892 /nfs/dbraw/zinc/67/08/92/185670892.db2.gz DWRIKBLOZHJOOY-UHFFFAOYSA-N 1 0 273.380 2.378 10 0 CEAERO CC(C)(C)[NH+]1CCN(c2ncc(Br)cn2)CC1 ZINC000111751787 136532201 /nfs/dbraw/zinc/53/22/01/136532201.db2.gz VOGFXMKMBKQSID-UHFFFAOYSA-N 1 0 299.216 2.160 10 0 CEAERO C[C@@H]([NH2+]C[C@H]1CCC(=O)N1)c1cnc2ccsc2c1 ZINC000085434165 179061025 /nfs/dbraw/zinc/06/10/25/179061025.db2.gz KTGAUKRDHDGKHR-MWLCHTKSSA-N 1 0 275.377 2.226 10 0 CEAERO c1cc(CN2CC[NH2+][C@@H](C3CC3)C2)cc2c1CCC2 ZINC000085434850 179061486 /nfs/dbraw/zinc/06/14/86/179061486.db2.gz JZNUYRZNLMEZAW-QGZVFWFLSA-N 1 0 256.393 2.359 10 0 CEAERO CCC[C@H]1CN(Cc2ncccn2)[C@@](C)(CC)C[NH2+]1 ZINC000085466072 179071720 /nfs/dbraw/zinc/07/17/20/179071720.db2.gz ISVSHRWNRHHTBH-ZFWWWQNUSA-N 1 0 262.401 2.219 10 0 CEAERO CC[C@H](C)[C@@H]1C[NH2+][C@H](C(C)C)CN1[C@@H]1CCOC1 ZINC000085466748 179071898 /nfs/dbraw/zinc/07/18/98/179071898.db2.gz NORMFUGYBYJSMZ-XGUBFFRZSA-N 1 0 254.418 2.120 10 0 CEAERO CC(C)[C@@H]1CN(C[C@@H]2CCCO2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085468582 179072991 /nfs/dbraw/zinc/07/29/91/179072991.db2.gz BLRHATMFNLHOIQ-HRCADAONSA-N 1 0 266.429 2.264 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(CCCOCC(F)(F)F)CC[NH2+]1 ZINC000085450005 179065062 /nfs/dbraw/zinc/06/50/62/179065062.db2.gz YDUMNWLXEBATLJ-NEPJUHHUSA-N 1 0 282.350 2.275 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C(C)C)CN1CCOCC(F)(F)F ZINC000085450489 179065425 /nfs/dbraw/zinc/06/54/25/179065425.db2.gz BYFGAIBUQYINAF-NEPJUHHUSA-N 1 0 282.350 2.274 10 0 CEAERO C[C@]1(C2CC2)CNCC[N@@H+]1CCCOCC(F)(F)F ZINC000085452576 179065878 /nfs/dbraw/zinc/06/58/78/179065878.db2.gz OGPMPOGCLJTZHA-GFCCVEGCSA-N 1 0 280.334 2.029 10 0 CEAERO CC[C@H](C)[C@H]1CNCC[N@@H+]1CCCOCC(F)(F)F ZINC000085452865 179066350 /nfs/dbraw/zinc/06/63/50/179066350.db2.gz YGTYXZANIYEXPD-NWDGAFQWSA-N 1 0 282.350 2.275 10 0 CEAERO CCn1cc(CN2C[C@H](C)[NH2+]CC2(CC)CC)cn1 ZINC000085454325 179066798 /nfs/dbraw/zinc/06/67/98/179066798.db2.gz JHWWKDTVMGGYMI-ZDUSSCGKSA-N 1 0 264.417 2.256 10 0 CEAERO CC(C)n1ccc(CN2C[C@H](C)[NH2+]CC2(C)C)n1 ZINC000085454021 179067066 /nfs/dbraw/zinc/06/70/66/179067066.db2.gz FFZZFDOTTQDBJC-LBPRGKRZSA-N 1 0 250.390 2.036 10 0 CEAERO Nc1cccc([C@@H](O)C[NH2+]CCc2ccccc2)c1 ZINC000098130262 185690969 /nfs/dbraw/zinc/69/09/69/185690969.db2.gz SPVHGIURUXZVQO-INIZCTEOSA-N 1 0 256.349 2.135 10 0 CEAERO CC[C@@H]1CN(CCOCC(F)(F)F)[C@H](C2CC2)C[NH2+]1 ZINC000085473328 179077824 /nfs/dbraw/zinc/07/78/24/179077824.db2.gz MIVALYHVKCTNJY-NEPJUHHUSA-N 1 0 280.334 2.028 10 0 CEAERO CC[C@H](C)[C@@H]1C[NH2+][C@@H](CC)CN1Cc1ncccn1 ZINC000085473030 179077927 /nfs/dbraw/zinc/07/79/27/179077927.db2.gz JJNPZGVZQSDQPK-IHRRRGAJSA-N 1 0 262.401 2.075 10 0 CEAERO CC[C@@H]1CN(CCn2ccnc2C)[C@@](C)(CC)C[NH2+]1 ZINC000085474481 179078421 /nfs/dbraw/zinc/07/84/21/179078421.db2.gz PZAMFHXWJALXEM-CABCVRRESA-N 1 0 264.417 2.044 10 0 CEAERO CC[C@H]1C[N@H+](CC2CCOCC2)C2(CCCC2)CN1 ZINC000085474876 179079141 /nfs/dbraw/zinc/07/91/41/179079141.db2.gz FKKHWCHEEXVJJK-HNNXBMFYSA-N 1 0 266.429 2.410 10 0 CEAERO CC[C@@H]1C[N@H+](CC2CCOCC2)[C@@](C)(CC)CN1 ZINC000085474577 179079209 /nfs/dbraw/zinc/07/92/09/179079209.db2.gz MJTPSSMWAHMGNU-CABCVRRESA-N 1 0 254.418 2.266 10 0 CEAERO C[C@H]1C[NH2+][C@H](Cc2ccccc2)CN1CC(F)F ZINC000085489119 179080849 /nfs/dbraw/zinc/08/08/49/179080849.db2.gz KRPYSCUEBXDQEL-WCQYABFASA-N 1 0 254.324 2.157 10 0 CEAERO CC(C)C[C@H]1CN(Cc2ncccn2)C(C)(C)C[NH2+]1 ZINC000085488427 179081153 /nfs/dbraw/zinc/08/11/53/179081153.db2.gz KZMWMXGJCWZPKD-ZDUSSCGKSA-N 1 0 262.401 2.075 10 0 CEAERO CC[C@H](C)[C@@H]1CNC(C)(C)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085470175 179075548 /nfs/dbraw/zinc/07/55/48/179075548.db2.gz JMXNZSQRAGCEQE-IHRRRGAJSA-N 1 0 254.418 2.264 10 0 CEAERO COCC[N@@H+]1CC(C)(C)NC[C@H]1C1CCCCC1 ZINC000085470986 179076072 /nfs/dbraw/zinc/07/60/72/179076072.db2.gz YCRIUHXHTGYCMF-AWEZNQCLSA-N 1 0 254.418 2.266 10 0 CEAERO COCCC[N@@H+]1CC(C)(C)NC[C@@H]1c1ccccc1 ZINC000085470898 179076545 /nfs/dbraw/zinc/07/65/45/179076545.db2.gz IBRRCGDYEHHXSG-OAHLLOKOSA-N 1 0 262.397 2.448 10 0 CEAERO CCOCC[N@@H+]1C[C@@H](c2ccccc2)NC[C@@H]1C1CC1 ZINC000085506905 179084823 /nfs/dbraw/zinc/08/48/23/179084823.db2.gz IESMGUMCSCDYNP-DLBZAZTESA-N 1 0 274.408 2.448 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCCc2ccccc2C1 ZINC000062945956 362736697 /nfs/dbraw/zinc/73/66/97/362736697.db2.gz JEGKADBFVUTTAL-IUODEOHRSA-N 1 0 260.381 2.335 10 0 CEAERO CC[C@@H]1CN[C@@](C)(C2CC2)C[N@@H+]1CC1CCOCC1 ZINC000085510843 179085303 /nfs/dbraw/zinc/08/53/03/179085303.db2.gz RNDTUPKHXQADIL-HZPDHXFCSA-N 1 0 266.429 2.266 10 0 CEAERO CCOCC[N@@H+]1C[C@@](C)(C2CC2)NC[C@@H]1C(C)C ZINC000085512020 179085484 /nfs/dbraw/zinc/08/54/84/179085484.db2.gz OIVRASAONNGWOV-CABCVRRESA-N 1 0 254.418 2.121 10 0 CEAERO CCC[C@H]1C[NH2+][C@](C)(C2CC2)CN1CCn1cccn1 ZINC000085511436 179085606 /nfs/dbraw/zinc/08/56/06/179085606.db2.gz WDBONMXJXYSRFS-HOTGVXAUSA-N 1 0 276.428 2.126 10 0 CEAERO C[C@@H]1C[NH2+][C@](C)(C2CC2)CN1CCCOCC(F)(F)F ZINC000085509396 179085709 /nfs/dbraw/zinc/08/57/09/179085709.db2.gz ACDKUFFLYSJEHC-YPMHNXCESA-N 1 0 294.361 2.418 10 0 CEAERO C[C@@H]1C[NH2+][C@](C)(C2CC2)CN1CCOCC(F)(F)F ZINC000085508932 179085984 /nfs/dbraw/zinc/08/59/84/179085984.db2.gz LKGPGXUEPJHHEG-PWSUYJOCSA-N 1 0 280.334 2.028 10 0 CEAERO COc1ccccc1CN1C[C@@H](C2CC2)[NH2+]C[C@@H]1C ZINC000085521497 179087442 /nfs/dbraw/zinc/08/74/42/179087442.db2.gz PUVNKOWCCQJXST-WFASDCNBSA-N 1 0 260.381 2.268 10 0 CEAERO CCC1(CC)CN(CCOCCOC)C2(CCCC2)C[NH2+]1 ZINC000085520612 179087748 /nfs/dbraw/zinc/08/77/48/179087748.db2.gz MCPFTLIWIVKWAL-UHFFFAOYSA-N 1 0 298.471 2.426 10 0 CEAERO CCC[C@H]1C[NH2+][C@@H](C2CC2)CN1Cc1cnn(CC)c1 ZINC000085523622 179088334 /nfs/dbraw/zinc/08/83/34/179088334.db2.gz SYILQEXYQBNATH-JKSUJKDBSA-N 1 0 276.428 2.256 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@H](C2CC2)CN1C[C@@H]1CCCO1 ZINC000085523458 179088369 /nfs/dbraw/zinc/08/83/69/179088369.db2.gz YVMFNXKQSVNPLF-QLFBSQMISA-N 1 0 252.402 2.018 10 0 CEAERO CC(C)[C@H]1CNC2(CCCC2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085498073 179083295 /nfs/dbraw/zinc/08/32/95/179083295.db2.gz AJWVPWRFHATBDE-LSDHHAIUSA-N 1 0 266.429 2.408 10 0 CEAERO CC(C)[C@@H]1CNC2(CCCC2)C[N@@H+]1[C@@H]1CCOC1 ZINC000085498074 179083459 /nfs/dbraw/zinc/08/34/59/179083459.db2.gz JJXAUCSUWHVAQQ-KGLIPLIRSA-N 1 0 252.402 2.018 10 0 CEAERO CC(C)[C@@H]1CN[C@H](C2CC2)C[N@@H+]1CC1CCOCC1 ZINC000085524652 179088973 /nfs/dbraw/zinc/08/89/73/179088973.db2.gz QRTDIFMPILYEJH-HOTGVXAUSA-N 1 0 266.429 2.121 10 0 CEAERO CCOCCN1C[C@H](C2CC2)[NH2+]C[C@@H]1Cc1ccccc1 ZINC000085527519 179090147 /nfs/dbraw/zinc/09/01/47/179090147.db2.gz GFBATXBBOPYUQO-ZWKOTPCHSA-N 1 0 288.435 2.318 10 0 CEAERO CC(C)n1ccc(CN2C[C@@H](C3CC3)[NH2+]CC2(C)C)n1 ZINC000085527952 179090202 /nfs/dbraw/zinc/09/02/02/179090202.db2.gz LDELVMIICPOZNZ-HNNXBMFYSA-N 1 0 276.428 2.426 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@@H](C2CC2)CN1C[C@@H]1CCCO1 ZINC000085528403 179091020 /nfs/dbraw/zinc/09/10/20/179091020.db2.gz ISLVNFJKIQESCE-ZNMIVQPWSA-N 1 0 252.402 2.018 10 0 CEAERO CC[C@]1(C)C[NH2+][C@@H](C2CC2)CN1CCOCC(F)(F)F ZINC000085528266 179091241 /nfs/dbraw/zinc/09/12/41/179091241.db2.gz KUJJXLAUHKKTJZ-CHWSQXEVSA-N 1 0 294.361 2.418 10 0 CEAERO Cc1ccc(F)c(O[C@H](C)C[C@@](C)([NH2+]C2CC2)C(N)=O)c1 ZINC000085560181 179093712 /nfs/dbraw/zinc/09/37/12/179093712.db2.gz PPPPDJDDOIOKPW-BDJLRTHQSA-N 1 0 294.370 2.288 10 0 CEAERO CO[C@@H]1CCC[C@H]1n1c2c(nc1C(C)C)C[NH2+]CC2 ZINC000085570851 179095883 /nfs/dbraw/zinc/09/58/83/179095883.db2.gz ZMFKGXJWENQDLB-ZIAGYGMSSA-N 1 0 263.385 2.392 10 0 CEAERO CC(C)Cc1nc2c(n1C[C@H]1CCCCO1)CC[NH2+]C2 ZINC000085572426 179097101 /nfs/dbraw/zinc/09/71/01/179097101.db2.gz AGSHSUCSPFUTSF-CYBMUJFWSA-N 1 0 277.412 2.296 10 0 CEAERO CCCCOCCn1c2c(nc1C(C)C)C[NH2+]CC2 ZINC000085573859 179099229 /nfs/dbraw/zinc/09/92/29/179099229.db2.gz WMJPZJABYZQEEH-UHFFFAOYSA-N 1 0 265.401 2.469 10 0 CEAERO CC[C@@H](COC)n1c2c(nc1C(C)C)C[NH2+]CC2 ZINC000085574820 179099296 /nfs/dbraw/zinc/09/92/96/179099296.db2.gz WGOSDPCHOWCFJP-NSHDSACASA-N 1 0 251.374 2.250 10 0 CEAERO CCC1(CC)CN(Cc2cnn(C)c2)[C@H](C)CC[NH2+]1 ZINC000085628200 179107414 /nfs/dbraw/zinc/10/74/14/179107414.db2.gz AFLIRSWIDGLHEK-CYBMUJFWSA-N 1 0 264.417 2.163 10 0 CEAERO C[C@@H]1CC[NH2+]CCN1Cc1cccc2cccnc21 ZINC000085622227 179105297 /nfs/dbraw/zinc/10/52/97/179105297.db2.gz OSHZUEAFEVVTIC-CYBMUJFWSA-N 1 0 255.365 2.419 10 0 CEAERO C[C@@H]1CCN[C@H](Cc2ccccc2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085618973 179105523 /nfs/dbraw/zinc/10/55/23/179105523.db2.gz UGWAJZPRCVCTIA-BPQIPLTHSA-N 1 0 288.435 2.318 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]CCN(C)C2CC2)C12CCCC2 ZINC000085681241 179114025 /nfs/dbraw/zinc/11/40/25/179114025.db2.gz HSEFVRZUWGLDSB-HUUCEWRRSA-N 1 0 266.429 2.408 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+][C@@H](C)C(OC)OC)C12CCCC2 ZINC000085681657 179114051 /nfs/dbraw/zinc/11/40/51/179114051.db2.gz XEVLWLRORHGHOR-XQQFMLRXSA-N 1 0 271.401 2.321 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](CN2C[C@@H](C)Cc3ccccc32)C1 ZINC000110371722 136556801 /nfs/dbraw/zinc/55/68/01/136556801.db2.gz QULKLIHHZMWLBC-QEJZJMRPSA-N 1 0 260.381 2.062 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1ccncc1)N1CCN(C)c2ccccc21 ZINC000111459370 136562177 /nfs/dbraw/zinc/56/21/77/136562177.db2.gz QBKGHJBDVIKOHP-GUYCJALGSA-N 1 0 282.391 2.426 10 0 CEAERO CCOC(=O)c1ccc(N[C@H]2CC[C@H](C[NH3+])CC2)nc1 ZINC000600962261 346719875 /nfs/dbraw/zinc/71/98/75/346719875.db2.gz CJQJDPJMWPESCU-AULYBMBSSA-N 1 0 277.368 2.188 10 0 CEAERO CC[C@](C)([C@@H](O)Cc1ccccc1)[NH+]1CCOCC1 ZINC000085749893 179142163 /nfs/dbraw/zinc/14/21/63/179142163.db2.gz UDRFTXDOZMXXQB-JKSUJKDBSA-N 1 0 263.381 2.091 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@@H](C)c1c(F)cccc1OC ZINC000236901792 370651163 /nfs/dbraw/zinc/65/11/63/370651163.db2.gz AYACSDOYWQOOGX-ONGXEEELSA-N 1 0 268.332 2.139 10 0 CEAERO CCS(=O)(=O)c1ccc(N[C@@H](C)CCCC[NH3+])cc1 ZINC000336818200 365863146 /nfs/dbraw/zinc/86/31/46/365863146.db2.gz UNOMAHCSIGRIFW-LBPRGKRZSA-N 1 0 284.425 2.410 10 0 CEAERO CCCCc1nnc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000236917287 370654953 /nfs/dbraw/zinc/65/49/53/370654953.db2.gz AAPBQRHSDGGHQZ-VHSXEESVSA-N 1 0 282.413 2.337 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@H](C)c1nc2ccccc2n1CC ZINC000236922178 370655714 /nfs/dbraw/zinc/65/57/14/370655714.db2.gz ZQUBFOGVUJFVGQ-NEPJUHHUSA-N 1 0 288.395 2.361 10 0 CEAERO C[NH2+][C@@H](Cc1sccc1Br)CN(C)C ZINC000085798905 179173164 /nfs/dbraw/zinc/17/31/64/179173164.db2.gz ODLNZVFVYNMXHZ-QMMMGPOBSA-N 1 0 277.231 2.203 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@H]1CCc2cc(F)ccc21 ZINC000236927997 370657650 /nfs/dbraw/zinc/65/76/50/370657650.db2.gz SETZTOJYQOZNAO-STQMWFEESA-N 1 0 250.317 2.057 10 0 CEAERO [NH3+][C@@]1(C(=O)N2CCC[C@H]2c2ccccc2Cl)CCOC1 ZINC000085877978 179195234 /nfs/dbraw/zinc/19/52/34/179195234.db2.gz ITHOMBFBSVWSIU-ZFWWWQNUSA-N 1 0 294.782 2.121 10 0 CEAERO COc1ccc(C(=O)NC[C@@H]2CCCC[C@H]2[NH3+])cc1F ZINC000085964787 179205365 /nfs/dbraw/zinc/20/53/65/179205365.db2.gz DQUKRTBTNJUNOI-WCQYABFASA-N 1 0 280.343 2.082 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1CNC(=O)C1(c2ccccc2)CC1 ZINC000085966936 179205833 /nfs/dbraw/zinc/20/58/33/179205833.db2.gz HNIZOMOKIDBKQG-UKRRQHHQSA-N 1 0 272.392 2.352 10 0 CEAERO CC[NH2+][C@H](CCO)CN(CC)c1ccccc1C ZINC000085921612 179200508 /nfs/dbraw/zinc/20/05/08/179200508.db2.gz TUFVAUIUMZVQKK-CQSZACIVSA-N 1 0 250.386 2.182 10 0 CEAERO CC[NH2+][C@@H](CCO)CN(C)[C@@H](C)c1ccccc1F ZINC000085922812 179201694 /nfs/dbraw/zinc/20/16/94/179201694.db2.gz ASNXBDXWHODBNI-STQMWFEESA-N 1 0 268.376 2.179 10 0 CEAERO CCC[NH2+][C@@H](CCO)C[S@](=O)c1cccc(Cl)c1 ZINC000085925756 179201916 /nfs/dbraw/zinc/20/19/16/179201916.db2.gz KSPUQVYKHWAISS-KPZWWZAWSA-N 1 0 289.828 2.198 10 0 CEAERO CCCc1ccc(OC[C@@H](CCO)[NH2+]CC)cc1 ZINC000085927125 179202021 /nfs/dbraw/zinc/20/20/21/179202021.db2.gz NQFBRIKHHRBWQS-CQSZACIVSA-N 1 0 251.370 2.378 10 0 CEAERO CC(C)Cc1ccc([C@H](O)C[NH2+]CC[C@@H](C)O)cc1 ZINC000085990213 179213447 /nfs/dbraw/zinc/21/34/47/179213447.db2.gz CRXQVAPNSSZVNZ-CZUORRHYSA-N 1 0 265.397 2.279 10 0 CEAERO CC[NH2+][C@@H]1CC[C@H](Sc2nnc(N(C)C)s2)[C@@H]1C ZINC000086043697 179222768 /nfs/dbraw/zinc/22/27/68/179222768.db2.gz XGGBAHXZZTUIRP-BBBLOLIVSA-N 1 0 286.470 2.473 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000086066366 179223905 /nfs/dbraw/zinc/22/39/05/179223905.db2.gz HYTSPPUEFMBAKU-HTQZYQBOSA-N 1 0 260.790 2.434 10 0 CEAERO C[C@@H]1[C@@H](C)CC[C@@H]1NC(=O)COc1ccc(C[NH3+])cc1 ZINC000086068824 179224143 /nfs/dbraw/zinc/22/41/43/179224143.db2.gz ISQUFRSWCDTCMP-ZOWXZIJZSA-N 1 0 276.380 2.075 10 0 CEAERO C[C@@H]1CC[C@H](NC(=O)c2ccc(CC[NH3+])cc2)[C@@H]1C ZINC000086075537 179224814 /nfs/dbraw/zinc/22/48/14/179224814.db2.gz DCBNRPQUWCYBGF-JMSVASOKSA-N 1 0 260.381 2.352 10 0 CEAERO C[C@H]1[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC[C@@H]1C ZINC000086075566 179225773 /nfs/dbraw/zinc/22/57/73/179225773.db2.gz YGRIWPYMIZZYMG-DEPYFDJDSA-N 1 0 264.413 2.458 10 0 CEAERO CCOc1ccc(C)cc1[C@H]([NH2+]C)[C@@H]1CCS(=O)(=O)C1 ZINC000086022536 179218804 /nfs/dbraw/zinc/21/88/04/179218804.db2.gz TWDZSXOJBPHXOX-IUODEOHRSA-N 1 0 297.420 2.089 10 0 CEAERO c1ccc([C@H]2C[N@H+](CCc3ccncc3)CCN2)cc1 ZINC000086142004 179237766 /nfs/dbraw/zinc/23/77/66/179237766.db2.gz VXXVRCOBMYEIBL-QGZVFWFLSA-N 1 0 267.376 2.271 10 0 CEAERO CC[C@@H]1CC[C@H]([NH2+]CC(=O)NC2CCCC2)[C@@H]1C ZINC000086095891 179229582 /nfs/dbraw/zinc/22/95/82/179229582.db2.gz GKKWLIOHDQRMDL-BZPMIXESSA-N 1 0 252.402 2.460 10 0 CEAERO CC[C@]1(C)CN(CCc2nc(C)cs2)CC[NH2+]1 ZINC000086148849 179239928 /nfs/dbraw/zinc/23/99/28/179239928.db2.gz JOOSGUVHEDAGAF-CYBMUJFWSA-N 1 0 253.415 2.068 10 0 CEAERO CC[C@@H]1CN([C@@H](C)Cc2ccc(F)cc2)CC[NH2+]1 ZINC000086148455 179240043 /nfs/dbraw/zinc/24/00/43/179240043.db2.gz MFCAUJPVTFOZNB-SWLSCSKDSA-N 1 0 250.361 2.441 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](Cc2ccccc2)CN1[C@@H](C)COC ZINC000086151882 179240269 /nfs/dbraw/zinc/24/02/69/179240269.db2.gz OWYZIXKOPKRQJN-USXIJHARSA-N 1 0 276.424 2.316 10 0 CEAERO Clc1cccc2c(N3CC[NH2+]CC3)nsc21 ZINC000065739373 362844940 /nfs/dbraw/zinc/84/49/40/362844940.db2.gz WJJKSAHZKIEDHU-UHFFFAOYSA-N 1 0 253.758 2.359 10 0 in-vitro CEAERO CC[C@@H](C)[C@@H]1CN(Cc2nc(C)no2)[C@H](C(C)C)C[NH2+]1 ZINC000086174047 179245608 /nfs/dbraw/zinc/24/56/08/179245608.db2.gz LSJQHGLGWGPFTK-XBFCOCLRSA-N 1 0 280.416 2.223 10 0 CEAERO c1csc(CCN2CC[NH2+]C[C@@H]2c2ccccc2)n1 ZINC000086177822 179246578 /nfs/dbraw/zinc/24/65/78/179246578.db2.gz AKJFDDAJHRMPBB-CQSZACIVSA-N 1 0 273.405 2.332 10 0 CEAERO CC[C@@H]1C[NH2+][C@](C)(CC)CN1CCc1ccccn1 ZINC000086221464 179250826 /nfs/dbraw/zinc/25/08/26/179250826.db2.gz PFJIBKITNGUPNE-HZPDHXFCSA-N 1 0 261.413 2.477 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C2CC2)CN1CCc1ccccn1 ZINC000086221460 179251103 /nfs/dbraw/zinc/25/11/03/179251103.db2.gz FHUCRWKWQMXCNV-HZPDHXFCSA-N 1 0 259.397 2.087 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1c1cnn(CCOC)c1 ZINC000086227220 179254706 /nfs/dbraw/zinc/25/47/06/179254706.db2.gz PUKVKIHWKOYUJA-UKRRQHHQSA-N 1 0 294.443 2.132 10 0 CEAERO C[C@@H]1CN[C@@H](c2ccccc2)C[N@@H+]1C[C@@H]1CCCOC1 ZINC000086260073 179259051 /nfs/dbraw/zinc/25/90/51/179259051.db2.gz RZMCDUYBWXLFIO-HLLBOEOZSA-N 1 0 274.408 2.448 10 0 CEAERO CC[C@@H]1C[NH2+][C@](C)(CC)CN1Cc1cc(C)no1 ZINC000086260395 179259203 /nfs/dbraw/zinc/25/92/03/179259203.db2.gz KONCSHDRUASXJH-TZMCWYRMSA-N 1 0 251.374 2.336 10 0 CEAERO Cc1noc(CN2C[C@@H](CC(C)C)[NH2+]C[C@@H]2C(C)C)n1 ZINC000086260338 179259484 /nfs/dbraw/zinc/25/94/84/179259484.db2.gz SXUYEXMDYULCHF-ZIAGYGMSSA-N 1 0 280.416 2.223 10 0 CEAERO CC[C@@H]1CN[C@H](C(C)(C)C)C[N@@H+]1C[C@@H](C)COC ZINC000086260939 179260418 /nfs/dbraw/zinc/26/04/18/179260418.db2.gz ZMPSTLFIUHJFNN-MCIONIFRSA-N 1 0 256.434 2.367 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C2CC2)CN1Cc1ccc2c(c1)OCO2 ZINC000086263407 179260543 /nfs/dbraw/zinc/26/05/43/179260543.db2.gz WMIVNLBNLUFNIT-CABCVRRESA-N 1 0 288.391 2.378 10 0 CEAERO CCC1(CC)CN(Cc2ccnc(OC)c2)[C@H](C)C[NH2+]1 ZINC000086263847 179260842 /nfs/dbraw/zinc/26/08/42/179260842.db2.gz BZEQRVAUMXXUKB-CYBMUJFWSA-N 1 0 277.412 2.443 10 0 CEAERO C[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1CCc1nccs1 ZINC000086264347 179260866 /nfs/dbraw/zinc/26/08/66/179260866.db2.gz HNFAYDHYWMNJID-NEPJUHHUSA-N 1 0 267.442 2.394 10 0 CEAERO CC[C@H]1CN(CCc2nc(C)cs2)[C@@H](CC)C[NH2+]1 ZINC000086264248 179261184 /nfs/dbraw/zinc/26/11/84/179261184.db2.gz YPGWULZHUQSSIB-STQMWFEESA-N 1 0 267.442 2.456 10 0 CEAERO COc1ccc(CN2C[C@@H](C(C)(C)C)[NH2+]C[C@@H]2C)cn1 ZINC000086263936 179261305 /nfs/dbraw/zinc/26/13/05/179261305.db2.gz GBBWIZUNZGIJGK-JSGCOSHPSA-N 1 0 277.412 2.299 10 0 CEAERO Cc1ccc(CN2C[C@@](C)(C3CC3)[NH2+]C[C@@H]2C)cn1 ZINC000086263743 179261366 /nfs/dbraw/zinc/26/13/66/179261366.db2.gz HBBNRZIUSUPKQL-BBRMVZONSA-N 1 0 259.397 2.352 10 0 CEAERO CC(C)[C@H]1C[NH2+]C(C)(C)CN1Cc1cscn1 ZINC000086265444 179262533 /nfs/dbraw/zinc/26/25/33/179262533.db2.gz XBZMIDYGEGNHEU-GFCCVEGCSA-N 1 0 253.415 2.352 10 0 CEAERO C[N@H+](CCNc1nc(Br)cs1)C1CC1 ZINC000086279848 179263377 /nfs/dbraw/zinc/26/33/77/179263377.db2.gz KEYSAHAHJLKFFG-UHFFFAOYSA-N 1 0 276.203 2.412 10 0 CEAERO CC[C@H](C)[C@H]1CN(Cc2nccs2)CCC[NH2+]1 ZINC000086289975 179264900 /nfs/dbraw/zinc/26/49/00/179264900.db2.gz WSOPRYRBGFVZOT-NWDGAFQWSA-N 1 0 253.415 2.353 10 0 CEAERO C[C@H]([NH3+])[C@H]1CCCN(c2nc(Br)cs2)C1 ZINC000086290915 179265300 /nfs/dbraw/zinc/26/53/00/179265300.db2.gz BHMACTZTMJWPSA-YUMQZZPRSA-N 1 0 290.230 2.469 10 0 CEAERO CC[C@H]1CN[C@](C)(CC)C[N@@H+]1CC[C@@H]1CCCO1 ZINC000086258849 179256413 /nfs/dbraw/zinc/25/64/13/179256413.db2.gz XEMJHPLGWONFPH-SOUVJXGZSA-N 1 0 254.418 2.408 10 0 CEAERO C[C@H]1[NH2+]CC[C@H]1c1nc2cc(Br)cnc2[nH]1 ZINC000086256069 179256652 /nfs/dbraw/zinc/25/66/52/179256652.db2.gz SGTGQRPKHOOLGR-HTRCEHHLSA-N 1 0 281.157 2.186 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]C)[C@@H]1c1ccc2ccccc2n1 ZINC000086317394 179270281 /nfs/dbraw/zinc/27/02/81/179270281.db2.gz JUIBBGHPXYHHJC-IRXDYDNUSA-N 1 0 285.391 2.216 10 0 CEAERO COC(OC)[C@H](C)[NH2+]Cc1ccc2ccccc2n1 ZINC000086317745 179270489 /nfs/dbraw/zinc/27/04/89/179270489.db2.gz HDQYNMAUENJOKR-NSHDSACASA-N 1 0 260.337 2.332 10 0 CEAERO CCN(c1nc(Br)cs1)[C@@H]1CCC[NH2+]C1 ZINC000086290838 179265833 /nfs/dbraw/zinc/26/58/33/179265833.db2.gz BEDDMEJMOSFJSS-MRVPVSSYSA-N 1 0 290.230 2.484 10 0 CEAERO c1ccc([C@@H]2C[N@H+](C[C@@H]3CCCOC3)CCCN2)cc1 ZINC000086292507 179266827 /nfs/dbraw/zinc/26/68/27/179266827.db2.gz CDDWDKIGDWTKGQ-RDJZCZTQSA-N 1 0 274.408 2.450 10 0 CEAERO Cc1csc(CCN2CCC[NH2+][C@H](C(C)C)C2)n1 ZINC000086296800 179267337 /nfs/dbraw/zinc/26/73/37/179267337.db2.gz PMZGGFHDMVBDHP-ZDUSSCGKSA-N 1 0 267.442 2.314 10 0 CEAERO c1nc(CN2CCC[NH2+]C3(CCCC3)C2)cs1 ZINC000086297845 179268080 /nfs/dbraw/zinc/26/80/80/179268080.db2.gz AYYLBYJAZXUXBV-UHFFFAOYSA-N 1 0 251.399 2.251 10 0 CEAERO CC[C@@]1(C)CN(c2cnn(C(C)C)c2)CCC[NH2+]1 ZINC000086295925 179268409 /nfs/dbraw/zinc/26/84/09/179268409.db2.gz JKCUNBMEAVGGSO-AWEZNQCLSA-N 1 0 250.390 2.432 10 0 CEAERO CC(C)[C@H]1CN(CCc2cscn2)CCC[NH2+]1 ZINC000086297946 179268683 /nfs/dbraw/zinc/26/86/83/179268683.db2.gz ZZQOXBKZEAIUPA-CYBMUJFWSA-N 1 0 253.415 2.006 10 0 CEAERO C[C@@H]([NH3+])c1ccc(NC(=O)c2ccncc2F)cc1 ZINC000086316283 179269980 /nfs/dbraw/zinc/26/99/80/179269980.db2.gz ACJROTWVEGZZIB-SECBINFHSA-N 1 0 259.284 2.493 10 0 CEAERO CN(CC(F)(F)F)c1nc2c(s1)CCC[C@@H]2[NH3+] ZINC000086443001 179293614 /nfs/dbraw/zinc/29/36/14/179293614.db2.gz KNVPCPNMAHMQKP-LURJTMIESA-N 1 0 265.304 2.478 10 0 CEAERO CC[C@H]1CN(C(=O)c2ccc3[nH]cnc3c2)[C@@H](CC)C[NH2+]1 ZINC000086447570 179295407 /nfs/dbraw/zinc/29/54/07/179295407.db2.gz VABLBBDBJCNYGK-STQMWFEESA-N 1 0 286.379 2.166 10 0 CEAERO CC[C@@H]1CN(C(=O)C[C@H]2C=CCC2)[C@@H](CC)C[NH2+]1 ZINC000086447573 179295547 /nfs/dbraw/zinc/29/55/47/179295547.db2.gz HJXUHJQRDKBKCC-MJBXVCDLSA-N 1 0 250.386 2.332 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)NC1CCCCC1 ZINC000086448227 179295642 /nfs/dbraw/zinc/29/56/42/179295642.db2.gz PTFOLWMJKJVOJU-GXTWGEPZSA-N 1 0 267.417 2.491 10 0 CEAERO NC(=[NH2+])c1c(F)cccc1-n1cc(Br)cn1 ZINC000086477245 179300377 /nfs/dbraw/zinc/30/03/77/179300377.db2.gz RNMMFMKKAMULSJ-UHFFFAOYSA-N 1 0 283.104 2.058 10 0 CEAERO COc1ccc(F)cc1CN1C[C@H](C)[NH2+]C[C@@H]1C ZINC000086470682 179300766 /nfs/dbraw/zinc/30/07/66/179300766.db2.gz WMHWIRZRTMZVOY-QWRGUYRKSA-N 1 0 252.333 2.017 10 0 CEAERO CC(C)[NH2+]CCc1nc([C@H]2Cc3ccccc32)no1 ZINC000086486551 179301720 /nfs/dbraw/zinc/30/17/20/179301720.db2.gz OSQCVYMKNIINAG-ZDUSSCGKSA-N 1 0 257.337 2.298 10 0 CEAERO CCc1c(C)nc([C@@H]2Cc3ccccc32)[nH+]c1NN ZINC000086490636 179302550 /nfs/dbraw/zinc/30/25/50/179302550.db2.gz LQQTZGQIXIYVGL-CYBMUJFWSA-N 1 0 254.337 2.321 10 0 CEAERO C[C@@H](c1nc(-c2nccs2)cs1)N1CC[NH2+]CC1 ZINC000086508056 179304260 /nfs/dbraw/zinc/30/42/60/179304260.db2.gz PPAKPOGYRSOMSY-VIFPVBQESA-N 1 0 280.422 2.233 10 0 CEAERO CC[C@@H]1CN(Cc2nnsc2Cl)[C@@H](CC)C[NH2+]1 ZINC000086464179 179296198 /nfs/dbraw/zinc/29/61/98/179296198.db2.gz ABKNPTAUBJTXAY-BDAKNGLRSA-N 1 0 274.821 2.154 10 0 CEAERO C[NH2+][C@H](Cc1ccc(Br)s1)C(OC)OC ZINC000086452215 179296249 /nfs/dbraw/zinc/29/62/49/179296249.db2.gz YIDMVOCSHMBRPM-MRVPVSSYSA-N 1 0 294.214 2.260 10 0 CEAERO [NH2+]=C1NC[C@H](c2ccc(Br)cc2)N1C1CC1 ZINC000086460210 179296549 /nfs/dbraw/zinc/29/65/49/179296549.db2.gz IKTDPIHEHJDOHB-LLVKDONJSA-N 1 0 280.169 2.283 10 0 CEAERO C[C@@H]1CN(Cc2nnc(-c3ccc(F)cc3)o2)[C@@H](C)C[NH2+]1 ZINC000086469762 179300074 /nfs/dbraw/zinc/30/00/74/179300074.db2.gz PZXAKTUVQCFPTO-MNOVXSKESA-N 1 0 290.342 2.058 10 0 CEAERO [NH3+]C1(c2cscc2Br)CCOCC1 ZINC000086554050 179307238 /nfs/dbraw/zinc/30/72/38/179307238.db2.gz OSURHNWFXVXJQH-UHFFFAOYSA-N 1 0 262.172 2.475 10 0 CEAERO CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)COC)CC(C)C ZINC000103534199 185848763 /nfs/dbraw/zinc/84/87/63/185848763.db2.gz PJHPWLXJZRABJI-ZIAGYGMSSA-N 1 0 272.433 2.142 10 0 CEAERO COCCN1CC[C@@H]([NH3+])[C@@H]1c1ccc(OC)c(Cl)c1 ZINC000086585224 179310116 /nfs/dbraw/zinc/31/01/16/179310116.db2.gz WPRLTOPTAMAOGW-OCCSQVGLSA-N 1 0 284.787 2.069 10 0 CEAERO CC[NH2+]CC1(S(C)(=O)=O)CC2(C1)CCCCC2 ZINC000086538007 179306441 /nfs/dbraw/zinc/30/64/41/179306441.db2.gz BLULYJFZSFAFHJ-UHFFFAOYSA-N 1 0 259.415 2.124 10 0 CEAERO Cc1nc(SCC2CC[NH2+]CC2)nc(C)c1C ZINC000086644526 179315781 /nfs/dbraw/zinc/31/57/81/179315781.db2.gz PVIARSLAHNSUNN-UHFFFAOYSA-N 1 0 251.399 2.494 10 0 CEAERO Cc1nc(Sc2ccc(C[NH3+])cn2)nc(C)c1C ZINC000086644036 179315851 /nfs/dbraw/zinc/31/58/51/179315851.db2.gz HNGYCXBHWOQHSV-UHFFFAOYSA-N 1 0 260.366 2.407 10 0 CEAERO CCOC(=O)CCCCC[NH2+][C@@H](COC)C(C)C ZINC000086701023 179321278 /nfs/dbraw/zinc/32/12/78/179321278.db2.gz NVYIFFKZGANTKW-ZDUSSCGKSA-N 1 0 259.390 2.371 10 0 CEAERO CC[NH2+][C@@](CO)(CSc1nc(C)c(C)c(C)n1)C1CC1 ZINC000086646930 179316313 /nfs/dbraw/zinc/31/63/13/179316313.db2.gz XHANFOWHSWAUOL-HNNXBMFYSA-N 1 0 295.452 2.245 10 0 CEAERO CC[NH+]1CCC(O)([C@H]2CCc3ccccc3N2)CC1 ZINC000086666659 179317180 /nfs/dbraw/zinc/31/71/80/179317180.db2.gz QXOANEGSZJEYRG-OAHLLOKOSA-N 1 0 260.381 2.260 10 0 CEAERO CS(=O)(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc2c(s1)CCC2 ZINC000086675449 179318533 /nfs/dbraw/zinc/31/85/33/179318533.db2.gz RXQJKWGPJUUMAM-JSGCOSHPSA-N 1 0 299.461 2.292 10 0 CEAERO CCC(CC)NC(=O)CO[C@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000086713097 179322577 /nfs/dbraw/zinc/32/25/77/179322577.db2.gz PBWKJCSKFMYGOX-IUODEOHRSA-N 1 0 270.417 2.215 10 0 CEAERO CC(C)NC(=O)[C@@H](C)OC1(C[NH3+])CCC(C)(C)CC1 ZINC000086712177 179322965 /nfs/dbraw/zinc/32/29/65/179322965.db2.gz YPFWWYPFAGOZRQ-GFCCVEGCSA-N 1 0 270.417 2.214 10 0 CEAERO C[C@H]([NH3+])c1ccc(NC(=O)N[C@H]2CCCOC2)cc1 ZINC000103961491 185869326 /nfs/dbraw/zinc/86/93/26/185869326.db2.gz OJQNWDBJDXZEEE-GWCFXTLKSA-N 1 0 263.341 2.007 10 0 CEAERO CC[C@@](C)([NH3+])C(=O)NCc1ccc(Br)s1 ZINC000086803967 179337879 /nfs/dbraw/zinc/33/78/79/179337879.db2.gz SKIUCVOYCRPAJV-SNVBAGLBSA-N 1 0 291.214 2.254 10 0 CEAERO C[N@@H+]1CCC[C@H](Nc2cccnc2-n2cccn2)CC1 ZINC000086818369 179347219 /nfs/dbraw/zinc/34/72/19/179347219.db2.gz APDBNJIZCQRAMY-ZDUSSCGKSA-N 1 0 271.368 2.164 10 0 CEAERO CC[N@@H+]1CCC[C@H](Nc2cc(C(N)=O)c(F)cc2F)CC1 ZINC000086837703 179350840 /nfs/dbraw/zinc/35/08/40/179350840.db2.gz MKNIAXFXFYAEQE-JTQLQIEISA-N 1 0 297.349 2.350 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2cccc(C(N)=O)c2C)CC1 ZINC000086838527 179351638 /nfs/dbraw/zinc/35/16/38/179351638.db2.gz AWJMSAZPSVCXAG-CYBMUJFWSA-N 1 0 275.396 2.380 10 0 CEAERO CCC[N@@H+]1CCC[C@H](NCc2c[nH]nc2C)CC1 ZINC000086841965 179353063 /nfs/dbraw/zinc/35/30/63/179353063.db2.gz RGTYJTMMBSNQFB-AWEZNQCLSA-N 1 0 250.390 2.072 10 0 CEAERO CC[N@@H+]1CCC[C@H](N[C@@H](C)c2cnn(C)c2C)CC1 ZINC000086840645 179353868 /nfs/dbraw/zinc/35/38/68/179353868.db2.gz GSFGVPVUUNVOOJ-JSGCOSHPSA-N 1 0 264.417 2.254 10 0 CEAERO COC(=O)[C@H](C(C)C)[C@@]1(O)CCC[N@@H+](C(C)C)CC1 ZINC000086868336 179360231 /nfs/dbraw/zinc/36/02/31/179360231.db2.gz YBUSPPUAYIJEJY-DZGCQCFKSA-N 1 0 271.401 2.057 10 0 CEAERO CCC[N@@H+]1CCC[C@@H]([NH+](CC)CCC(=O)[O-])CC1 ZINC000086868858 179362096 /nfs/dbraw/zinc/36/20/96/179362096.db2.gz GSVZRTUOZJFLBD-CYBMUJFWSA-N 1 0 256.390 2.048 10 0 CEAERO CC(C)[N@@H+]1CCC[C@H]([NH+]2CCC(C)(C(=O)[O-])CC2)CC1 ZINC000086869071 179362338 /nfs/dbraw/zinc/36/23/38/179362338.db2.gz SWFSMAUVIXUIAG-AWEZNQCLSA-N 1 0 282.428 2.436 10 0 CEAERO CCC[N@@H+]1CCC[C@H]([NH+]2CCC[C@@]2(C)C(=O)[O-])CC1 ZINC000086869346 179363582 /nfs/dbraw/zinc/36/35/82/179363582.db2.gz FJIBRNXCJYZHHX-ZFWWWQNUSA-N 1 0 268.401 2.190 10 0 CEAERO CCC[N@@H+]1CCC[C@](NCC(C)C)(C(=O)OCC)CC1 ZINC000086850290 179358537 /nfs/dbraw/zinc/35/85/37/179358537.db2.gz PVQBYIMDGJBGMX-MRXNPFEDSA-N 1 0 284.444 2.430 10 0 CEAERO CCC[N@@H+]1CCC[C@](NC)(c2nccs2)CC1 ZINC000086851377 179358937 /nfs/dbraw/zinc/35/89/37/179358937.db2.gz WQAKQHXQUQTIPS-CYBMUJFWSA-N 1 0 253.415 2.454 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH3+])c1ccc(C)cc1 ZINC000086978567 179372751 /nfs/dbraw/zinc/37/27/51/179372751.db2.gz WYUSLKIQMDOLTK-ZDUSSCGKSA-N 1 0 255.383 2.210 10 0 CEAERO C[NH2+][C@H](C)[C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000104072781 185893471 /nfs/dbraw/zinc/89/34/71/185893471.db2.gz GGWKQSZULYKEET-VHSXEESVSA-N 1 0 261.325 2.457 10 0 CEAERO CCS(=O)(=O)CCC[C@@H](C[NH3+])Cc1cccc(C)c1 ZINC000086980689 179373179 /nfs/dbraw/zinc/37/31/79/179373179.db2.gz NNMQRMIDJLJCMP-OAHLLOKOSA-N 1 0 283.437 2.327 10 0 CEAERO CCS(=O)(=O)CCC[C@]1(C[NH3+])CCCc2ccccc21 ZINC000086980978 179373313 /nfs/dbraw/zinc/37/33/13/179373313.db2.gz YJVYCNQGFLNNDZ-INIZCTEOSA-N 1 0 295.448 2.434 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH3+])Cc1ccccc1Cl ZINC000086979183 179373341 /nfs/dbraw/zinc/37/33/41/179373341.db2.gz CHYRSAIEASOJRW-GFCCVEGCSA-N 1 0 289.828 2.425 10 0 CEAERO COCC[NH2+][C@]1(c2nc(C)cs2)CCCOCC1 ZINC000086877123 179365336 /nfs/dbraw/zinc/36/53/36/179365336.db2.gz NWNAIRHOGHURIG-CYBMUJFWSA-N 1 0 270.398 2.083 10 0 CEAERO COc1ccccc1N(C)[C@]1(C[NH3+])CCCOCC1 ZINC000086875525 179365448 /nfs/dbraw/zinc/36/54/48/179365448.db2.gz IQTSJVZDNVXJES-OAHLLOKOSA-N 1 0 264.369 2.029 10 0 CEAERO C[C@H]1CCC[C@](C[NH3+])(N2CCOCC2(C)C)CC1 ZINC000086890941 179366072 /nfs/dbraw/zinc/36/60/72/179366072.db2.gz ULCVQTRGYLPKQK-ZFWWWQNUSA-N 1 0 254.418 2.395 10 0 CEAERO COCCN(CCOC)[C@]1(C[NH3+])CCCC(C)(C)CC1 ZINC000086911326 179367020 /nfs/dbraw/zinc/36/70/20/179367020.db2.gz MTTZKAKWQYOGBR-MRXNPFEDSA-N 1 0 286.460 2.269 10 0 CEAERO CCC[C@@H]1CCC[C@](NCC[NH+](C)C)(C(=O)OC)CC1 ZINC000086949891 179368563 /nfs/dbraw/zinc/36/85/63/179368563.db2.gz WFAOADSZRPTFJC-GDBMZVCRSA-N 1 0 284.444 2.430 10 0 CEAERO CCOC(=O)[C@@]1(N2CC[NH2+]CC2)CCC[C@@H](C(C)C)CC1 ZINC000086949882 179368810 /nfs/dbraw/zinc/36/88/10/179368810.db2.gz AMFPOLYYOGLISH-NVXWUHKLSA-N 1 0 296.455 2.430 10 0 CEAERO CC(C)(C)[C@H]1CCC[C@](CO)(N2CC[NH2+]CC2)CC1 ZINC000086962041 179369700 /nfs/dbraw/zinc/36/97/00/179369700.db2.gz JDUWGYMWLSZFIR-HOCLYGCPSA-N 1 0 268.445 2.249 10 0 CEAERO CC[NH2+][C@H](CCCCCS(=O)(=O)CC)C1CC1 ZINC000086981776 179373714 /nfs/dbraw/zinc/37/37/14/179373714.db2.gz OHFOHGZMYSZLFN-CYBMUJFWSA-N 1 0 261.431 2.370 10 0 CEAERO C[NH2+][C@H](CCCOC)c1cc(OC)ccc1OC ZINC000086970009 179370684 /nfs/dbraw/zinc/37/06/84/179370684.db2.gz ADQIWTLIBKITSE-CYBMUJFWSA-N 1 0 253.342 2.391 10 0 CEAERO COCCCc1nc(-c2ccccc2)cc(NN)[nH+]1 ZINC000086971445 179370810 /nfs/dbraw/zinc/37/08/10/179370810.db2.gz VYVNGXRCAQVVGU-UHFFFAOYSA-N 1 0 258.325 2.008 10 0 CEAERO CC[NH2+]C[C@H](C)c1c(C)nc(CCCOC)nc1C ZINC000086971606 179370817 /nfs/dbraw/zinc/37/08/17/179370817.db2.gz SHYSWIPZAWGUPT-NSHDSACASA-N 1 0 265.401 2.385 10 0 CEAERO C[NH2+][C@H](CCCOC)c1ccc2c(c1)OCCO2 ZINC000086969746 179370897 /nfs/dbraw/zinc/37/08/97/179370897.db2.gz LNHAZRJCLKCRRB-GFCCVEGCSA-N 1 0 251.326 2.145 10 0 CEAERO CCS(=O)(=O)CCCOc1cc(F)ccc1[C@H](C)[NH3+] ZINC000086973033 179371453 /nfs/dbraw/zinc/37/14/53/179371453.db2.gz HZTZFQSXHINJIR-JTQLQIEISA-N 1 0 289.372 2.049 10 0 CEAERO OC1(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)CCCC1 ZINC000087015846 179379911 /nfs/dbraw/zinc/37/99/11/179379911.db2.gz XQPXLOHQYFBFCR-MRXNPFEDSA-N 1 0 274.408 2.156 10 0 CEAERO CCC(O)(CC)C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000087015161 179380241 /nfs/dbraw/zinc/38/02/41/179380241.db2.gz PYATWHDYEHWEBQ-UHFFFAOYSA-N 1 0 251.326 2.056 10 0 CEAERO Cc1cc([C@H]([NH3+])[C@@H]2COCCO2)sc1Br ZINC000087019097 179381358 /nfs/dbraw/zinc/38/13/58/179381358.db2.gz PNSDEEJAXHEIHJ-IONNQARKSA-N 1 0 292.198 2.234 10 0 CEAERO CC[C@H](C[NH3+])NC(=O)c1cc(C)c(Br)s1 ZINC000087018552 179381445 /nfs/dbraw/zinc/38/14/45/179381445.db2.gz YHKXEQBCYNFNON-SSDOTTSWSA-N 1 0 291.214 2.286 10 0 CEAERO [NH3+][C@H]1CCCc2nc([C@@H]3CSCCO3)sc21 ZINC000086989836 179374529 /nfs/dbraw/zinc/37/45/29/179374529.db2.gz XEVWICGKOLYJOL-CBAPKCEASA-N 1 0 256.396 2.284 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1C(=O)c1c(F)cc(F)cc1F ZINC000086997943 179377431 /nfs/dbraw/zinc/37/74/31/179377431.db2.gz BYLHRNOMNBQZHT-SNVBAGLBSA-N 1 0 286.297 2.318 10 0 CEAERO C[C@@H]1CCC[C@@](O)(C[NH2+][C@@H]2COc3cc(O)ccc32)C1 ZINC000087048647 179388204 /nfs/dbraw/zinc/38/82/04/179388204.db2.gz DNDHKMHRZQFLIP-XFJVYGCCSA-N 1 0 277.364 2.357 10 0 CEAERO C[C@@H]1CCC[C@@](O)(C[NH2+]Cc2ccc3c(c2)OCO3)C1 ZINC000087051289 179388743 /nfs/dbraw/zinc/38/87/43/179388743.db2.gz TYIVATIPFMKJCQ-WBMJQRKESA-N 1 0 277.364 2.446 10 0 CEAERO COc1cccc(NCc2ccc(C[NH3+])cc2F)n1 ZINC000104122275 185898332 /nfs/dbraw/zinc/89/83/32/185898332.db2.gz UJQWJKAYEVQNOG-UHFFFAOYSA-N 1 0 261.300 2.300 10 0 CEAERO CCCCCCOC[C@@H](O)C[NH2+]CC1(O)CCCCC1 ZINC000087029153 179382321 /nfs/dbraw/zinc/38/23/21/179382321.db2.gz DSTRVTZIZJAFBX-HNNXBMFYSA-N 1 0 287.444 2.229 10 0 CEAERO CC[C@@H]1C[NH2+]C[C@H](c2cc(OC)ccc2OC)O1 ZINC000087090348 179394327 /nfs/dbraw/zinc/39/43/27/179394327.db2.gz ZUGQZOAYRPUSMD-QMTHXVAHSA-N 1 0 251.326 2.143 10 0 CEAERO CCSCc1noc(-c2ccccc2CC[NH3+])n1 ZINC000087105434 179394674 /nfs/dbraw/zinc/39/46/74/179394674.db2.gz ZTEPVTCWSNTKSQ-UHFFFAOYSA-N 1 0 263.366 2.491 10 0 CEAERO CC(C)(C)SCc1noc([C@]2(C)CC[NH2+]C2)n1 ZINC000087115523 179395416 /nfs/dbraw/zinc/39/54/16/179395416.db2.gz JQDIJSDGHWYDPX-GFCCVEGCSA-N 1 0 255.387 2.352 10 0 CEAERO [NH3+]CCCCCCC(=O)NCC1(O)CCCCCC1 ZINC000087089888 179393308 /nfs/dbraw/zinc/39/33/08/179393308.db2.gz HEMXQBIHFRDLRH-UHFFFAOYSA-N 1 0 270.417 2.097 10 0 CEAERO CCOc1cc2c(cc1[C@@H]1C[NH2+]CCO1)O[C@@H](C)C2 ZINC000087090035 179393683 /nfs/dbraw/zinc/39/36/83/179393683.db2.gz DUWGHONOLBGTTL-BONVTDFDSA-N 1 0 263.337 2.070 10 0 CEAERO COc1ccc(C[C@@]2(O)CCC[N@H+](C)CC2)cc1F ZINC000087186263 179399798 /nfs/dbraw/zinc/39/97/98/179399798.db2.gz VSAHKCNFPDVOBI-OAHLLOKOSA-N 1 0 267.344 2.224 10 0 CEAERO CC[N@@H+]1CCC[C@@](O)(Cc2cccc(OC)c2)CC1 ZINC000087186407 179399819 /nfs/dbraw/zinc/39/98/19/179399819.db2.gz BZNKOENPDBMWQJ-INIZCTEOSA-N 1 0 263.381 2.475 10 0 CEAERO C[NH2+]CCc1ncc(-c2cc(OC)c(OC)c(OC)c2)o1 ZINC000087345164 179414774 /nfs/dbraw/zinc/41/47/74/179414774.db2.gz XMIVFJYIJZRBFF-UHFFFAOYSA-N 1 0 292.335 2.129 10 0 CEAERO [NH3+]C[C@H](c1ccc(F)cc1F)[C@H](O)c1ccoc1 ZINC000087382582 179418165 /nfs/dbraw/zinc/41/81/65/179418165.db2.gz ATXHPKITGHJFBJ-DGCLKSJQSA-N 1 0 253.248 2.334 10 0 CEAERO CCCOc1cccc(C(=O)N[C@@H](C[NH3+])C(C)C)c1 ZINC000087403005 179419354 /nfs/dbraw/zinc/41/93/54/179419354.db2.gz KAHYIDGOOFVPAY-AWEZNQCLSA-N 1 0 264.369 2.189 10 0 CEAERO CCCc1nnsc1C(=O)N(CCC)[C@H]1CCC[NH2+]C1 ZINC000087455856 179428208 /nfs/dbraw/zinc/42/82/08/179428208.db2.gz FWHAJXDIMLVREV-NSHDSACASA-N 1 0 296.440 2.095 10 0 CEAERO CCC[NH2+][C@H](CC)[C@@H](C)c1nc(-c2ccn(C)n2)no1 ZINC000087426797 179424291 /nfs/dbraw/zinc/42/42/91/179424291.db2.gz XNSCEOABWLYPKT-GHMZBOCLSA-N 1 0 277.372 2.352 10 0 CEAERO CC[NH2+][C@@H]1CCCCC[C@H]1c1nc(-c2ccn(C)n2)no1 ZINC000087426889 179424556 /nfs/dbraw/zinc/42/45/56/179424556.db2.gz RKLXOURLFHOCGP-VXGBXAGGSA-N 1 0 289.383 2.496 10 0 CEAERO C[C@H](O)C[N@@H+]1CCN(Cc2cccc3cnccc32)C[C@@H]1C ZINC000248393917 539632977 /nfs/dbraw/zinc/63/29/77/539632977.db2.gz XJRSRLRMYPRMJR-GJZGRUSLSA-N 1 0 299.418 2.122 10 0 CEAERO [NH3+]CCCN(c1ncns1)c1cccc(F)c1 ZINC000087639510 179461194 /nfs/dbraw/zinc/46/11/94/179461194.db2.gz VLNSNLJQCJFIKC-UHFFFAOYSA-N 1 0 252.318 2.164 10 0 CEAERO CC[NH2+]C[C@@H]1CCCN1c1nc(C(C)C)ns1 ZINC000087643754 179462824 /nfs/dbraw/zinc/46/28/24/179462824.db2.gz CLUZWJYTPQWRIS-JTQLQIEISA-N 1 0 254.403 2.240 10 0 CEAERO CC(C)(CC[NH3+])CCC(=O)NC(C1CC1)C1CC1 ZINC000087698995 179472671 /nfs/dbraw/zinc/47/26/71/179472671.db2.gz ZSICUERQBRVXKW-UHFFFAOYSA-N 1 0 252.402 2.446 10 0 CEAERO C[C@H]([NH3+])CCC[C@H](C)C(=O)NCCc1ccc(O)cc1 ZINC000087698824 179472842 /nfs/dbraw/zinc/47/28/42/179472842.db2.gz XCHMUDQVCWMIHN-STQMWFEESA-N 1 0 278.396 2.205 10 0 CEAERO C[C@H](CCC[C@H](C)[NH3+])C(=O)NCCC(F)(F)F ZINC000087702429 179473582 /nfs/dbraw/zinc/47/35/82/179473582.db2.gz KUSCZMSQEPTGMI-BDAKNGLRSA-N 1 0 254.296 2.209 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1sccc1Cl ZINC000087722113 179477416 /nfs/dbraw/zinc/47/74/16/179477416.db2.gz WEVVSIRMXHSSHD-VXNVDRBHSA-N 1 0 258.774 2.259 10 0 CEAERO CC[C@H](C[NH3+])C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000087518199 179439062 /nfs/dbraw/zinc/43/90/62/179439062.db2.gz MUIQJWJYCMHLEY-BXKDBHETSA-N 1 0 282.384 2.464 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)Nc1ccc(F)c(NC(C)=O)c1 ZINC000087523107 179440292 /nfs/dbraw/zinc/44/02/92/179440292.db2.gz UELXUYBSONXLDY-SNVBAGLBSA-N 1 0 281.331 2.098 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)N(CC)CCc1ccccc1 ZINC000087526491 179441452 /nfs/dbraw/zinc/44/14/52/179441452.db2.gz USSHIXCSOFSTBD-HNNXBMFYSA-N 1 0 262.397 2.453 10 0 CEAERO C[NH2+][C@@](C)(CC(=O)OC)c1cccc(OC(F)F)c1 ZINC000087553109 179445083 /nfs/dbraw/zinc/44/50/83/179445083.db2.gz DWJODUDFYYFYEL-ZDUSSCGKSA-N 1 0 273.279 2.286 10 0 CEAERO Cc1cc(CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)sc1C ZINC000087578137 179449438 /nfs/dbraw/zinc/44/94/38/179449438.db2.gz LDZSJGSZBKOZCF-RYUDHWBXSA-N 1 0 266.410 2.499 10 0 CEAERO CCc1nc(O[C@H]2CCC[C@H](C)C2)cc(NN)[nH+]1 ZINC000087907335 179517361 /nfs/dbraw/zinc/51/73/61/179517361.db2.gz DTPJYLAZOKWJRH-UWVGGRQHSA-N 1 0 250.346 2.282 10 0 CEAERO c1ccc(CN2CCO[C@H](c3ncccn3)C2)cc1 ZINC000616643141 348544459 /nfs/dbraw/zinc/54/44/59/348544459.db2.gz WLXSQNGJZJRLHG-AWEZNQCLSA-N 1 0 255.321 2.050 10 0 CEAERO CC(C)(C)[N@@H+]1CCO[C@@H](c2ccccc2CCO)C1 ZINC000616645239 348545424 /nfs/dbraw/zinc/54/54/24/348545424.db2.gz OHBWRTSYDXSPCS-OAHLLOKOSA-N 1 0 263.381 2.393 10 0 CEAERO CC(C)(C)OC(=O)NCC[C@H]1C[N@@H+](C(C)(C)C)CCO1 ZINC000616645820 348546275 /nfs/dbraw/zinc/54/62/75/348546275.db2.gz UDYZCYBXHJBNKH-LBPRGKRZSA-N 1 0 286.416 2.401 10 0 CEAERO Cc1c(NCC(F)(F)F)nc(C(C)C)[nH+]c1NN ZINC000087918995 179523078 /nfs/dbraw/zinc/52/30/78/179523078.db2.gz HGUNETROHYLTQZ-UHFFFAOYSA-N 1 0 263.267 2.168 10 0 CEAERO CC[N@@H+]1CCCO[C@H](c2cc3ccccc3nn2)C1 ZINC000616649861 348547762 /nfs/dbraw/zinc/54/77/62/348547762.db2.gz MHVJTQYOYNZOHT-HNNXBMFYSA-N 1 0 257.337 2.413 10 0 CEAERO CC(C)=CC(=O)N1CC[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000616569784 348523527 /nfs/dbraw/zinc/52/35/27/348523527.db2.gz KEKQDCDKHUZGNN-LSDHHAIUSA-N 1 0 276.355 2.435 10 0 CEAERO CC(C)C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C1CCCC1 ZINC000616571705 348524071 /nfs/dbraw/zinc/52/40/71/348524071.db2.gz REAKJSXSIWGWKQ-UONOGXRCSA-N 1 0 252.402 2.317 10 0 CEAERO CC(C)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000616571245 348524098 /nfs/dbraw/zinc/52/40/98/348524098.db2.gz PWTKTEJSHDDDCX-KGLIPLIRSA-N 1 0 264.344 2.043 10 0 CEAERO CC[NH2+][C@@H](C1CCOCC1)[C@@H]1COc2ccccc2O1 ZINC000087859856 179503697 /nfs/dbraw/zinc/50/36/97/179503697.db2.gz MDYSODQSVXYRGC-HOTGVXAUSA-N 1 0 277.364 2.231 10 0 CEAERO CSc1nc(O[C@H]2CCCC[C@H]2C)cc(NN)[nH+]1 ZINC000087878086 179507489 /nfs/dbraw/zinc/50/74/89/179507489.db2.gz SMLGIZOFZOWMSP-BDAKNGLRSA-N 1 0 268.386 2.442 10 0 CEAERO NNc1nc(NC[C@H]2C[C@H]3CC[C@@H]2C3)c(Cl)c[nH+]1 ZINC000087877551 179507780 /nfs/dbraw/zinc/50/77/80/179507780.db2.gz LLQJKACHIMRSOY-DJLDLDEBSA-N 1 0 267.764 2.264 10 0 CEAERO CC(C)(C)[N@@H+]1CCCOC[C@@H]1c1ccc(C(N)=O)cc1 ZINC000616599758 348529902 /nfs/dbraw/zinc/52/99/02/348529902.db2.gz OQJVHRBZPGASAU-CQSZACIVSA-N 1 0 276.380 2.347 10 0 CEAERO COCC[NH2+]Cc1cc(Cl)ccc1OCOC ZINC000087888214 179512194 /nfs/dbraw/zinc/51/21/94/179512194.db2.gz YMFHMZXRSVUNQL-UHFFFAOYSA-N 1 0 259.733 2.059 10 0 CEAERO CCOC(=O)c1ccccc1[C@H]1CCCC[N@@H+]1CCO ZINC000616613957 348534286 /nfs/dbraw/zinc/53/42/86/348534286.db2.gz FVBJAINVXJACOJ-OAHLLOKOSA-N 1 0 277.364 2.383 10 0 CEAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H](c2cnco2)C1 ZINC000616620993 348537230 /nfs/dbraw/zinc/53/72/30/348537230.db2.gz XYSRRJISTGAWOR-GFCCVEGCSA-N 1 0 295.383 2.379 10 0 CEAERO C[NH2+][C@@H](C1CCOCC1)[C@@H]1COc2ccccc2C1 ZINC000088021266 179536532 /nfs/dbraw/zinc/53/65/32/179536532.db2.gz VZCJVUBFUKAAFS-HOCLYGCPSA-N 1 0 261.365 2.252 10 0 CEAERO CC[C@H](C)NC(=O)COc1cccc2c1CCC[C@@H]2[NH3+] ZINC000088150767 179557333 /nfs/dbraw/zinc/55/73/33/179557333.db2.gz IRHWTSUJYVAIGA-FZMZJTMJSA-N 1 0 276.380 2.316 10 0 CEAERO CC[NH2+][C@@H]1CCCc2c(OC[C@@H]3CNC(=O)O3)cccc21 ZINC000088151918 179557871 /nfs/dbraw/zinc/55/78/71/179557871.db2.gz YWODUEZDGLDCAV-SMDDNHRTSA-N 1 0 290.363 2.161 10 0 CEAERO CCC[NH2+][C@H]1CCCc2c(O[C@@H](C)C(N)=O)cccc21 ZINC000088152415 179558023 /nfs/dbraw/zinc/55/80/23/179558023.db2.gz RFWJPPKRRYEXRQ-FZMZJTMJSA-N 1 0 276.380 2.316 10 0 CEAERO COc1ccc(Br)cc1[C@@H](C[NH3+])C[C@@H](C)O ZINC000088186800 179561288 /nfs/dbraw/zinc/56/12/88/179561288.db2.gz IZBFQEBFMWRKJW-RKDXNWHRSA-N 1 0 288.185 2.271 10 0 CEAERO C[NH2+]Cc1sc(N(C)C[C@H]2CCCOC2)nc1C ZINC000104190451 185922217 /nfs/dbraw/zinc/92/22/17/185922217.db2.gz PVHZESJTKNGJHQ-LLVKDONJSA-N 1 0 269.414 2.034 10 0 CEAERO Nc1ccccc1[C@H]1c2ccccc2CCN1CC[NH3+] ZINC000616678627 348557908 /nfs/dbraw/zinc/55/79/08/348557908.db2.gz KLRQSSFJZAALHC-QGZVFWFLSA-N 1 0 267.376 2.175 10 0 CEAERO CC(C)[N@@H+]1CCc2ccccc2[C@H]1c1c[nH]nc1N ZINC000616679444 348558325 /nfs/dbraw/zinc/55/83/25/348558325.db2.gz TUWGNSNKMOMQIV-AWEZNQCLSA-N 1 0 256.353 2.178 10 0 CEAERO Nc1ccccc1[C@@H]1CNc2ccccc2N1CC[NH3+] ZINC000616685191 348560132 /nfs/dbraw/zinc/56/01/32/348560132.db2.gz CKEUZEOLSYAOAI-INIZCTEOSA-N 1 0 268.364 2.201 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C(=O)N2CCC[C@@H]2C2CCCC2)C1 ZINC000088450709 179605974 /nfs/dbraw/zinc/60/59/74/179605974.db2.gz YPLDCTYBHOTKAY-AEGPPILISA-N 1 0 264.413 2.413 10 0 CEAERO COCc1ccc([C@@H]2[C@H]([NH3+])CCCC(=O)N2C2CC2)cc1 ZINC000088568203 179626714 /nfs/dbraw/zinc/62/67/14/179626714.db2.gz LUWKTGBSIOCBBB-NVXWUHKLSA-N 1 0 288.391 2.376 10 0 CEAERO CCC[NH2+][C@@H](Cc1ncnn1C)c1cccc(OCC)c1 ZINC000088581635 179629268 /nfs/dbraw/zinc/62/92/68/179629268.db2.gz BIOKNYWFORBJLH-HNNXBMFYSA-N 1 0 288.395 2.497 10 0 CEAERO CCC[NH2+][C@H]1CCCC[C@@H](Cc2ncnn2C)C1 ZINC000088583556 179629947 /nfs/dbraw/zinc/62/99/47/179629947.db2.gz FQNLUMDTJJASCU-OLZOCXBDSA-N 1 0 250.390 2.306 10 0 CEAERO CCC[NH2+][C@H](C)[C@H]1CCCCN1Cc1ncnn1CCC ZINC000088584858 179630873 /nfs/dbraw/zinc/63/08/73/179630873.db2.gz ZHCFRHLKQMSZJD-HUUCEWRRSA-N 1 0 293.459 2.431 10 0 CEAERO CC(C)Cn1ncnc1C[C@](C)([NH3+])c1ccc(F)cc1 ZINC000088606927 179636734 /nfs/dbraw/zinc/63/67/34/179636734.db2.gz ZUJYVXDTQXIKSO-HNNXBMFYSA-N 1 0 276.359 2.490 10 0 CEAERO CCn1ncnc1C[C@@]1([NH3+])CCC[C@@H](C(F)(F)F)C1 ZINC000088607529 179636760 /nfs/dbraw/zinc/63/67/60/179636760.db2.gz CHRNQPINNWRSJV-MWLCHTKSSA-N 1 0 276.306 2.291 10 0 CEAERO CC[C@]1(C)CN(Cc2ncnn2C(C)C)[C@H](C(C)C)C[NH2+]1 ZINC000088625570 179642358 /nfs/dbraw/zinc/64/23/58/179642358.db2.gz LULWZNVLEJUJIT-GOEBONIOSA-N 1 0 293.459 2.458 10 0 CEAERO Cc1c(C(=O)N[C@@H]2CCCCC[C@@H]2C)cnn1CCC[NH3+] ZINC000088505654 179615619 /nfs/dbraw/zinc/61/56/19/179615619.db2.gz VRSMXDYXZBIICS-SWLSCSKDSA-N 1 0 292.427 2.239 10 0 CEAERO CC[NH2+][C@@H](Cc1ccncc1Cl)[C@@H]1CCCO1 ZINC000088789565 179672599 /nfs/dbraw/zinc/67/25/99/179672599.db2.gz RNOGDDVYZPCAOR-STQMWFEESA-N 1 0 254.761 2.435 10 0 CEAERO CCc1nc(CC)n(-c2nc(C)cc(C)c2C[NH2+]C)n1 ZINC000088743851 179662936 /nfs/dbraw/zinc/66/29/36/179662936.db2.gz HRLKIAFVVDFGMD-UHFFFAOYSA-N 1 0 273.384 2.123 10 0 CEAERO O[C@H](C[NH2+][C@@H]1CC=CCC1)c1ccc2c(c1)OCO2 ZINC000088748534 179664344 /nfs/dbraw/zinc/66/43/44/179664344.db2.gz PEHKCPPSGVDQCM-CHWSQXEVSA-N 1 0 261.321 2.147 10 0 CEAERO CC(C)[NH2+]Cc1ccc(CS(=O)(=O)NC(C)(C)C)cc1 ZINC000088976771 179689550 /nfs/dbraw/zinc/68/95/50/179689550.db2.gz AKGOWMFMIXXYHV-UHFFFAOYSA-N 1 0 298.452 2.403 10 0 CEAERO CC[NH2+]Cc1cc(S(=O)(=O)N[C@@H](C)CC)c(C)cc1C ZINC000088978095 179689712 /nfs/dbraw/zinc/68/97/12/179689712.db2.gz XAPRDOVANCPZEC-ZDUSSCGKSA-N 1 0 298.452 2.490 10 0 CEAERO CCC[NH2+]CCCS(=O)(=O)N(C)c1ccc(CC)cc1 ZINC000089015006 179691853 /nfs/dbraw/zinc/69/18/53/179691853.db2.gz MWWJYJGVVKKAIU-UHFFFAOYSA-N 1 0 298.452 2.405 10 0 CEAERO CCCOCCc1nnc(CC[NH2+]CC(C)C)s1 ZINC000088824096 179678550 /nfs/dbraw/zinc/67/85/50/179678550.db2.gz XPTULSBGIHFYCN-UHFFFAOYSA-N 1 0 271.430 2.295 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1cccc(Br)c1 ZINC000089090905 179698836 /nfs/dbraw/zinc/69/88/36/179698836.db2.gz RNEQIIRAOIHWHE-CMPLNLGQSA-N 1 0 297.196 2.306 10 0 CEAERO CCC1(CC)CC(=O)N([C@@H]2CCCC[C@@H]2C[NH3+])C1=O ZINC000089109141 179704234 /nfs/dbraw/zinc/70/42/34/179704234.db2.gz WYSHAYXBPRMLFT-VXGBXAGGSA-N 1 0 266.385 2.069 10 0 CEAERO Cc1cc(C(N)=O)ccc1N[C@H]1CCCC[C@H]1C[NH3+] ZINC000089108824 179704873 /nfs/dbraw/zinc/70/48/73/179704873.db2.gz FAJNUQUNJASFGT-JSGCOSHPSA-N 1 0 261.369 2.023 10 0 CEAERO Cc1ccc(CC(=O)N(C)[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089111221 179705804 /nfs/dbraw/zinc/70/58/04/179705804.db2.gz GHMZWHJVDVDMBQ-LSDHHAIUSA-N 1 0 260.381 2.123 10 0 CEAERO CCC[C@H]1CCCN(S(=O)(=O)CCCC[NH2+]C)CC1 ZINC000089047298 179693456 /nfs/dbraw/zinc/69/34/56/179693456.db2.gz VQAOQVBJBWWYLV-AWEZNQCLSA-N 1 0 290.473 2.218 10 0 CEAERO CCN(C(=O)c1ccc(C)nc1)[C@H]1CCCC[C@H]1C[NH3+] ZINC000089134774 179714203 /nfs/dbraw/zinc/71/42/03/179714203.db2.gz CRUCVRIQYOANSL-ZFWWWQNUSA-N 1 0 275.396 2.370 10 0 CEAERO CS(=O)(=O)c1cccc(N[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000089144722 179722241 /nfs/dbraw/zinc/72/22/41/179722241.db2.gz JLCMWVGFJHCFSQ-FZMZJTMJSA-N 1 0 282.409 2.020 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1Nc1ccc(-n2cncn2)cc1 ZINC000089144788 179722294 /nfs/dbraw/zinc/72/22/94/179722294.db2.gz XKNCLXGYMJSNOS-SWLSCSKDSA-N 1 0 271.368 2.197 10 0 CEAERO CS(=O)(=O)c1cccc(N[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000089144718 179722388 /nfs/dbraw/zinc/72/23/88/179722388.db2.gz JLCMWVGFJHCFSQ-RISCZKNCSA-N 1 0 282.409 2.020 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1Nc1ccc(N2CCCC2=O)cc1 ZINC000089148411 179724237 /nfs/dbraw/zinc/72/42/37/179724237.db2.gz GSBMLOSXLFEFTR-WFASDCNBSA-N 1 0 273.380 2.353 10 0 CEAERO CN(Cc1cccnc1)c1ccc(CC[NH3+])cc1F ZINC000104281905 185954262 /nfs/dbraw/zinc/95/42/62/185954262.db2.gz QDQPFFXAKXYDCU-UHFFFAOYSA-N 1 0 259.328 2.358 10 0 CEAERO CCN(Cc1nn(C)c2ccccc12)[C@H]1CCC[NH2+]C1 ZINC000089175884 179741592 /nfs/dbraw/zinc/74/15/92/179741592.db2.gz IZLZDJYESSNHSF-ZDUSSCGKSA-N 1 0 272.396 2.147 10 0 CEAERO CCc1cc(CO[C@@]2(C[NH3+])CC[C@@H](C)C2)n(CC)n1 ZINC000089180811 179744845 /nfs/dbraw/zinc/74/48/45/179744845.db2.gz CWXMWAFIUZXIKF-DOMZBBRYSA-N 1 0 265.401 2.500 10 0 CEAERO CCc1cc(C[C@H]2Cc3ccccc3[C@H]2[NH3+])n(C)n1 ZINC000089187183 179747724 /nfs/dbraw/zinc/74/77/24/179747724.db2.gz WVHMKKCKIOIKHU-WBMJQRKESA-N 1 0 255.365 2.397 10 0 CEAERO C[C@H](NCc1ccccc1OC(F)F)[C@@H]1CC[NH2+]C1 ZINC000400485051 233179471 /nfs/dbraw/zinc/17/94/71/233179471.db2.gz XCVLLRCCJAJPMG-WDEREUQCSA-N 1 0 270.323 2.376 10 0 CEAERO CCc1cc(C[C@H]([NH2+]C)c2ncccc2C)n(C)n1 ZINC000089193847 179749685 /nfs/dbraw/zinc/74/96/85/179749685.db2.gz LQDMFZCWXLSLRW-AWEZNQCLSA-N 1 0 258.369 2.189 10 0 CEAERO C[NH2+][C@@H](Cc1cc(C)nn1C)Cc1ccc(C)cc1 ZINC000089194080 179749847 /nfs/dbraw/zinc/74/98/47/179749847.db2.gz VUKOWNBMQSUTOC-OAHLLOKOSA-N 1 0 257.381 2.410 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1c1nc(COc2ccccc2)no1 ZINC000089431190 539714749 /nfs/dbraw/zinc/71/47/49/539714749.db2.gz IEHXPNCSERPEIY-WCQYABFASA-N 1 0 273.336 2.491 10 0 CEAERO COc1cc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])cc(OC)c1 ZINC000089449112 539716231 /nfs/dbraw/zinc/71/62/31/539716231.db2.gz IBVLXSQUKDXNDJ-IINYFYTJSA-N 1 0 278.352 2.017 10 0 CEAERO CCn1nc(C)cc1COc1cc(OC)ccc1CC[NH3+] ZINC000089202270 179753178 /nfs/dbraw/zinc/75/31/78/179753178.db2.gz YPISVUZDZGEDNI-UHFFFAOYSA-N 1 0 289.379 2.300 10 0 CEAERO CN(C)c1ccccc1NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089453435 539716715 /nfs/dbraw/zinc/71/67/15/539716715.db2.gz BEDBUIUYZMQTHV-NEPJUHHUSA-N 1 0 261.369 2.066 10 0 CEAERO CCOc1ccc(CN(C)C(=O)[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089455152 539717228 /nfs/dbraw/zinc/71/72/28/539717228.db2.gz LXULDJHHDHOZOJ-GOEBONIOSA-N 1 0 290.407 2.419 10 0 CEAERO CCc1cc(CN2C[C@H](C)[NH2+]CC2(C)C)n(CC)n1 ZINC000089208753 179754688 /nfs/dbraw/zinc/75/46/88/179754688.db2.gz QOUVGMDNLHIDBW-LBPRGKRZSA-N 1 0 264.417 2.038 10 0 CEAERO COc1ccccc1[C@H](C)NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089459944 539718570 /nfs/dbraw/zinc/71/85/70/539718570.db2.gz XMAPTMRZCKCHDM-SCRDCRAPSA-N 1 0 276.380 2.247 10 0 CEAERO C[C@@H](Nc1cnn(Cc2ccccc2)c1)[C@H]1CC[NH2+]C1 ZINC000400336956 233176292 /nfs/dbraw/zinc/17/62/92/233176292.db2.gz FKPMUWRYJDLARB-HIFRSBDPSA-N 1 0 270.380 2.341 10 0 CEAERO CCc1nn(C)c(CN2CC[NH2+]C[C@H]2C(C)C)c1Cl ZINC000089346110 179771588 /nfs/dbraw/zinc/77/15/88/179771588.db2.gz DZYSPQKHISIXJI-LBPRGKRZSA-N 1 0 284.835 2.066 10 0 CEAERO C[C@H](OCc1ccccc1)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000404490430 233192484 /nfs/dbraw/zinc/19/24/84/233192484.db2.gz AKWUWUNHWMFSGX-XJKSGUPXSA-N 1 0 290.407 2.225 10 0 CEAERO CCc1nn(CC)c(CN2CC[NH2+]C(C)(C)C2)c1Cl ZINC000089379497 179774898 /nfs/dbraw/zinc/77/48/98/179774898.db2.gz UZMIDGLESABQAW-UHFFFAOYSA-N 1 0 284.835 2.303 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1C(=O)NCc1cc(F)ccc1F ZINC000089399751 179781463 /nfs/dbraw/zinc/78/14/63/179781463.db2.gz UQTYJZBJUYGJTP-GXFFZTMASA-N 1 0 282.334 2.346 10 0 CEAERO Cc1ccc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])c(F)c1 ZINC000089450175 179792233 /nfs/dbraw/zinc/79/22/33/179792233.db2.gz PWCKYPPWIVUKMP-WDEREUQCSA-N 1 0 250.317 2.448 10 0 CEAERO Cc1ccc(OCCN(C)C(=O)[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089455677 179794207 /nfs/dbraw/zinc/79/42/07/179794207.db2.gz VPWFYSZYHJPYRM-GOEBONIOSA-N 1 0 290.407 2.207 10 0 CEAERO CN(CCOc1cccc(F)c1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089457151 179794866 /nfs/dbraw/zinc/79/48/66/179794866.db2.gz KRFMBLGZWCPWJL-WFASDCNBSA-N 1 0 294.370 2.038 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@@H]1CNC(=O)Cc1cccc(F)c1 ZINC000089531786 179811218 /nfs/dbraw/zinc/81/12/18/179811218.db2.gz SUHCNKZBXCQDEM-ZIAGYGMSSA-N 1 0 278.371 2.250 10 0 CEAERO Cc1ccoc1C(=O)NC[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089530934 179811388 /nfs/dbraw/zinc/81/13/88/179811388.db2.gz FIOXGISUONGAKU-VXGBXAGGSA-N 1 0 250.342 2.083 10 0 CEAERO CC(C)(C)OC(=O)N[C@@H]1C[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000068575186 362942717 /nfs/dbraw/zinc/94/27/17/362942717.db2.gz ZLFBUCKGGYNPOM-CHWSQXEVSA-N 1 0 280.343 2.406 10 0 CEAERO CC(C)(C)OC(=O)N[C@@H]1C[NH2+]C[C@@H]1c1ccccc1F ZINC000068575170 362943255 /nfs/dbraw/zinc/94/32/55/362943255.db2.gz XIPNTDCDXQQQDR-DGCLKSJQSA-N 1 0 280.343 2.406 10 0 CEAERO Cc1cc(C(=O)NC[C@H]2CCC[C@@H]2C[NH3+])ccc1F ZINC000089500299 179804843 /nfs/dbraw/zinc/80/48/43/179804843.db2.gz MHIUAMGHBQLKOB-CHWSQXEVSA-N 1 0 264.344 2.239 10 0 CEAERO OC[C@H]1CCC[C@@H]1C[NH2+]CC1(O)CCCCCC1 ZINC000089498960 179805130 /nfs/dbraw/zinc/80/51/30/179805130.db2.gz JHZGYEYBSFXAPE-ZIAGYGMSSA-N 1 0 255.402 2.070 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1CNc1nc(C2CC2)ns1 ZINC000089501398 179805375 /nfs/dbraw/zinc/80/53/75/179805375.db2.gz VDBKEPYENKMDIL-NXEZZACHSA-N 1 0 252.387 2.202 10 0 CEAERO COc1ccc(NC(=O)NC[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089500876 179805474 /nfs/dbraw/zinc/80/54/74/179805474.db2.gz WRVBPYBRJQSVEG-RYUDHWBXSA-N 1 0 277.368 2.192 10 0 CEAERO O=C(C[C@@H]1CC[NH2+]C1)Nc1cccc2c(O)cccc12 ZINC000089742797 179857536 /nfs/dbraw/zinc/85/75/36/179857536.db2.gz UMHLEUVGXXKORI-NSHDSACASA-N 1 0 270.332 2.484 10 0 CEAERO CCOCc1ccccc1NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000089741641 179857730 /nfs/dbraw/zinc/85/77/30/179857730.db2.gz CEEVOYPJKJRDJP-LBPRGKRZSA-N 1 0 262.353 2.161 10 0 CEAERO CCN(C(=O)Cc1ccccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000104331931 185972138 /nfs/dbraw/zinc/97/21/38/185972138.db2.gz JEZKBRDWSBQIFE-CYBMUJFWSA-N 1 0 280.799 2.483 10 0 CEAERO CC1CCC([C@H](CN)[N@H+](C)CC2CCOCC2)CC1 ZINC000089576845 179823093 /nfs/dbraw/zinc/82/30/93/179823093.db2.gz SPODSBBFIABRGL-BCLQGDPASA-N 1 0 268.445 2.498 10 0 CEAERO Cc1ccc(F)c(C(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)c1 ZINC000089710205 179850957 /nfs/dbraw/zinc/85/09/57/179850957.db2.gz FXLRYFDZMKNPOP-RISCZKNCSA-N 1 0 264.344 2.156 10 0 CEAERO CN(C(=O)Cc1cccc(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000104345854 185978495 /nfs/dbraw/zinc/97/84/95/185978495.db2.gz XHJYMZAAAFZEHU-ZDUSSCGKSA-N 1 0 266.772 2.093 10 0 CEAERO CCN([C@H](c1ccccc1)c1ccccn1)C1C[NH2+]C1 ZINC000090290849 179950872 /nfs/dbraw/zinc/95/08/72/179950872.db2.gz JFTMSSSRLWJXSR-QGZVFWFLSA-N 1 0 267.376 2.465 10 0 CEAERO C[C@H](Cn1cccn1)n1cncc1C[NH2+]C(C)(C)C ZINC000090240991 179938365 /nfs/dbraw/zinc/93/83/65/179938365.db2.gz NKRNZOOXWGEJSB-GFCCVEGCSA-N 1 0 261.373 2.229 10 0 CEAERO C[NH2+][C@@H](CSc1ccc(Cl)cc1)Cc1ncnn1C ZINC000090244973 179940082 /nfs/dbraw/zinc/94/00/82/179940082.db2.gz FERDAOQRYFOQTB-LLVKDONJSA-N 1 0 296.827 2.391 10 0 CEAERO Cc1ccc(NC(=O)N2C[C@H]3C[NH2+]C[C@@H]3C2)cc1Cl ZINC000090321792 179957788 /nfs/dbraw/zinc/95/77/88/179957788.db2.gz LHQGKBRGEURSQA-GHMZBOCLSA-N 1 0 279.771 2.332 10 0 CEAERO O=C(c1ccc(Cl)cc1Cl)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090321364 179957833 /nfs/dbraw/zinc/95/78/33/179957833.db2.gz HYYZGRIAFCARQG-RKDXNWHRSA-N 1 0 285.174 2.285 10 0 CEAERO O=C(C1CCCCCCC1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090321685 179957845 /nfs/dbraw/zinc/95/78/45/179957845.db2.gz OUKMZMNCYBHHBL-KBPBESRZSA-N 1 0 250.386 2.025 10 0 CEAERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C(=O)c1cc(F)ccc1C ZINC000090330996 179962200 /nfs/dbraw/zinc/96/22/00/179962200.db2.gz MOPQPXLIIZTEKQ-BYCMXARLSA-N 1 0 276.355 2.204 10 0 CEAERO CC1(C)[C@H]2C[NH2+]C[C@@H]2CN1C(=O)c1cccc2cc[nH]c21 ZINC000090336204 179965157 /nfs/dbraw/zinc/96/51/57/179965157.db2.gz CEEIIZASGNFVDE-OCCSQVGLSA-N 1 0 283.375 2.238 10 0 CEAERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1c1ncnc2ccsc21 ZINC000090338493 179966162 /nfs/dbraw/zinc/96/61/62/179966162.db2.gz KMONWPMQWZDBIA-NXEZZACHSA-N 1 0 274.393 2.126 10 0 CEAERO CC1(C)[C@H]2C[NH2+]C[C@@H]2CN1c1nncc2ccccc21 ZINC000090338622 179966625 /nfs/dbraw/zinc/96/66/25/179966625.db2.gz KRQGCXOLISVFMC-OCCSQVGLSA-N 1 0 268.364 2.064 10 0 CEAERO CCC[NH2+][C@H]1CCN([C@@H](C)c2ccc(OC)cc2)C1=O ZINC000090340395 179967689 /nfs/dbraw/zinc/96/76/89/179967689.db2.gz LJUBFVGJLAHQKI-WFASDCNBSA-N 1 0 276.380 2.357 10 0 CEAERO CC(C)([NH3+])CSCC(=O)Nc1ccccc1F ZINC000090358213 179976283 /nfs/dbraw/zinc/97/62/83/179976283.db2.gz MUSGJJGDISTLHJ-UHFFFAOYSA-N 1 0 256.346 2.235 10 0 CEAERO COc1ccc(NC(=O)CSCC(C)(C)[NH3+])cc1 ZINC000090358542 179976413 /nfs/dbraw/zinc/97/64/13/179976413.db2.gz XCVCFTIIEOCPML-UHFFFAOYSA-N 1 0 268.382 2.104 10 0 CEAERO CN1C[C@H](C[NH2+]Cc2csc(C(F)(F)F)c2)CC1=O ZINC000623570706 350053510 /nfs/dbraw/zinc/05/35/10/350053510.db2.gz BGKPQIAFCBCYLK-QMMMGPOBSA-N 1 0 292.326 2.335 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccccc1CC ZINC000090539062 180000500 /nfs/dbraw/zinc/00/05/00/180000500.db2.gz QAVBKYDXCAMISP-DZGCQCFKSA-N 1 0 276.380 2.202 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)N(CC)c1ccccc1C ZINC000090538743 180000525 /nfs/dbraw/zinc/00/05/25/180000525.db2.gz WNETZDVGIRHXPO-CABCVRRESA-N 1 0 290.407 2.363 10 0 CEAERO Cc1ncsc1C[N@@H+](C)Cc1ccc(O)c(N)c1 ZINC000104435955 186000922 /nfs/dbraw/zinc/00/09/22/186000922.db2.gz CPLCTYSTUSBQAP-UHFFFAOYSA-N 1 0 263.366 2.371 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000090543231 180001029 /nfs/dbraw/zinc/00/10/29/180001029.db2.gz GNIJDCDJGCXYFR-CQDKDKBSSA-N 1 0 294.370 2.018 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)N(C)c1ccc(C)cc1C ZINC000090544418 180001055 /nfs/dbraw/zinc/00/10/55/180001055.db2.gz WQDJCQJNRLCZMJ-HUUCEWRRSA-N 1 0 290.407 2.281 10 0 CEAERO C[C@@]1(c2nc3cc(F)ccc3n2C2CC2)COC[C@H]1[NH3+] ZINC000090571731 180007907 /nfs/dbraw/zinc/00/79/07/180007907.db2.gz SGYDVISRESMZKC-UKRRQHHQSA-N 1 0 275.327 2.126 10 0 CEAERO CCC(C)(C)C1CCC(NC(=O)[C@]2(C)COC[C@@H]2[NH3+])CC1 ZINC000090585345 180009069 /nfs/dbraw/zinc/00/90/69/180009069.db2.gz UBVAVMBBFSMJLF-TXBNBULBSA-N 1 0 296.455 2.461 10 0 CEAERO CC(C)(C)c1ccccc1NC(=O)[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090586073 180009316 /nfs/dbraw/zinc/00/93/16/180009316.db2.gz FGNAAHYLPSZTQT-BBRMVZONSA-N 1 0 276.380 2.286 10 0 CEAERO CC[C@H](C)N(Cc1ccccc1)C(=O)[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090590677 180010064 /nfs/dbraw/zinc/01/00/64/180010064.db2.gz WLBWJPXXRQZOMS-QRTARXTBSA-N 1 0 290.407 2.178 10 0 CEAERO CCOc1ccc(NC(=O)[C@@]2(C)COC[C@@H]2[NH3+])cc1Cl ZINC000090589797 180010114 /nfs/dbraw/zinc/01/01/14/180010114.db2.gz NEEXEJCGBJTZCB-JSGCOSHPSA-N 1 0 298.770 2.041 10 0 CEAERO CC(C)CCCCCCNC(=O)[C@]1(C)COC[C@H]1[NH3+] ZINC000090598592 180010461 /nfs/dbraw/zinc/01/04/61/180010461.db2.gz MTSAEXZCIAWOAK-UKRRQHHQSA-N 1 0 270.417 2.073 10 0 CEAERO CCOC(=O)[C@](C)([NH3+])CCCO[C@@H](C)C(F)(F)F ZINC000090674608 180022384 /nfs/dbraw/zinc/02/23/84/180022384.db2.gz PSFLNDNYJCCADW-WCBMZHEXSA-N 1 0 271.279 2.015 10 0 CEAERO C[C@H](OCCC[C@@](C)(CO)[NH2+]C1CC1)C(F)(F)F ZINC000090675966 180022465 /nfs/dbraw/zinc/02/24/65/180022465.db2.gz BWOBTXCWPOLJDJ-ONGXEEELSA-N 1 0 269.307 2.237 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)C[C@@H](C)O[C@@H](C)C(F)(F)F ZINC000090676054 180022502 /nfs/dbraw/zinc/02/25/02/180022502.db2.gz QORULYOKMOZJDP-VWYCJHECSA-N 1 0 271.323 2.481 10 0 CEAERO CC[NH2+][C@@](CO)(CO[C@H](C)C(F)(F)F)c1ccccc1 ZINC000090675980 180022601 /nfs/dbraw/zinc/02/26/01/180022601.db2.gz YXWQFZAHLQURRD-YPMHNXCESA-N 1 0 291.313 2.451 10 0 CEAERO CCCOc1cc(N(CCC[NH3+])CC(C)C)ncn1 ZINC000090785086 180039937 /nfs/dbraw/zinc/03/99/37/180039937.db2.gz FPWQPRHRRRJUIY-UHFFFAOYSA-N 1 0 266.389 2.077 10 0 CEAERO CCCOc1cc(N(C)[C@@H]2CCCC[C@@H]2C[NH3+])ncn1 ZINC000090785286 180040296 /nfs/dbraw/zinc/04/02/96/180040296.db2.gz GBVDLOAFZVTZIX-CHWSQXEVSA-N 1 0 278.400 2.219 10 0 CEAERO CCOc1cc(NC[C@H]([NH3+])c2ccccc2)nc(C)n1 ZINC000090787848 180041192 /nfs/dbraw/zinc/04/11/92/180041192.db2.gz OAUCVUHYYASTPB-ZDUSSCGKSA-N 1 0 272.352 2.296 10 0 CEAERO CCOc1cc(NCc2ccc(C[NH3+])cc2)nc(C)n1 ZINC000090787757 180041371 /nfs/dbraw/zinc/04/13/71/180041371.db2.gz JZONAVUFNFTNON-UHFFFAOYSA-N 1 0 272.352 2.255 10 0 CEAERO COc1ncnc(N[C@@]2(C[NH3+])CCC[C@H](C)C2)c1C ZINC000090789246 180041531 /nfs/dbraw/zinc/04/15/31/180041531.db2.gz VSLLAXFKFXIDKB-HZMBPMFUSA-N 1 0 264.373 2.113 10 0 CEAERO COc1cc(NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)ncn1 ZINC000090790322 180041974 /nfs/dbraw/zinc/04/19/74/180041974.db2.gz KQVNXXMZKIHIEN-IUODEOHRSA-N 1 0 278.400 2.408 10 0 CEAERO CCCn1c(-c2csc(C[NH3+])n2)nc2cccnc21 ZINC000090932879 180066923 /nfs/dbraw/zinc/06/69/23/180066923.db2.gz RZYUFNDMRHYNEU-UHFFFAOYSA-N 1 0 273.365 2.424 10 0 CEAERO COc1cc(OC)cc(O[C@H]2C[C@@H]([NH3+])C2(C)C)c1 ZINC000090861682 180046982 /nfs/dbraw/zinc/04/69/82/180046982.db2.gz BVJPEOXELNVGBW-OLZOCXBDSA-N 1 0 251.326 2.208 10 0 CEAERO CC[NH2+][C@H]1C[C@H](Oc2ccc(S(C)(=O)=O)cc2)C1(C)C ZINC000090861996 180046995 /nfs/dbraw/zinc/04/69/95/180046995.db2.gz MOWASJCLHZVSND-KBPBESRZSA-N 1 0 297.420 2.246 10 0 CEAERO CC[NH2+]C1CC(Oc2cc(OC)cc(OC)c2)C1 ZINC000090861711 180047087 /nfs/dbraw/zinc/04/70/87/180047087.db2.gz DFTGKQJACFOEHH-UHFFFAOYSA-N 1 0 251.326 2.223 10 0 CEAERO CS(=O)(=O)c1ccc(O[C@@H]2C[C@@H]([NH3+])C23CCCC3)cc1 ZINC000090861984 180047179 /nfs/dbraw/zinc/04/71/79/180047179.db2.gz WWIAFZUPMMUSCC-ZIAGYGMSSA-N 1 0 295.404 2.129 10 0 CEAERO CC[NH2+][C@@H]1C[C@@H](Oc2ccc(S(C)(=O)=O)cc2)C1(C)C ZINC000090861997 180047210 /nfs/dbraw/zinc/04/72/10/180047210.db2.gz MOWASJCLHZVSND-ZIAGYGMSSA-N 1 0 297.420 2.246 10 0 CEAERO C[C@H]([NH3+])[C@H]1CCCCN1C[C@@H]1Cc2ccccc2O1 ZINC000090873645 180050235 /nfs/dbraw/zinc/05/02/35/180050235.db2.gz ZMKMEJXDGOKTBA-AEGPPILISA-N 1 0 260.381 2.192 10 0 CEAERO COCC[NH2+]C[C@@]1(C[C@@H]2Cc3ccccc3O2)CCOC1 ZINC000090877335 180051739 /nfs/dbraw/zinc/05/17/39/180051739.db2.gz ZRNOJKBHJDKWSE-RDJZCZTQSA-N 1 0 291.391 2.023 10 0 CEAERO C[NH2+]Cc1c(C)nn(C[C@H]2Cc3ccccc3O2)c1C ZINC000090876341 180051950 /nfs/dbraw/zinc/05/19/50/180051950.db2.gz CYSUABUJHPLREO-CQSZACIVSA-N 1 0 271.364 2.223 10 0 CEAERO CC[NH2+]C1CCN(C[C@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090878919 180053080 /nfs/dbraw/zinc/05/30/80/180053080.db2.gz KNSMPQWMRNVULW-OAHLLOKOSA-N 1 0 278.371 2.203 10 0 CEAERO Fc1ccc2c(c1)C[C@H](C[NH2+]C[C@H]1CCCOC1)O2 ZINC000090892263 180053715 /nfs/dbraw/zinc/05/37/15/180053715.db2.gz WACCTGBMTPSSEY-BXUZGUMPSA-N 1 0 265.328 2.145 10 0 CEAERO CC(C)C[NH2+]CCN(C)C[C@H]1Cc2cc(F)ccc2O1 ZINC000090893536 180054901 /nfs/dbraw/zinc/05/49/01/180054901.db2.gz ZBTMBDJJNVGRDQ-OAHLLOKOSA-N 1 0 280.387 2.307 10 0 CEAERO CCOC[C@H](C)[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892568 180054982 /nfs/dbraw/zinc/05/49/82/180054982.db2.gz OOCNVLUOONUTPD-GWCFXTLKSA-N 1 0 253.317 2.144 10 0 CEAERO CCC[N@@H+](CC(N)=S)C[C@H]1Cc2cc(F)ccc2O1 ZINC000090893182 180055153 /nfs/dbraw/zinc/05/51/53/180055153.db2.gz FSLWYRJIMSCMFQ-GFCCVEGCSA-N 1 0 282.384 2.127 10 0 CEAERO NC(=[NH2+])c1ccc(OC[C@H]2Cc3cc(F)ccc3O2)cc1 ZINC000090893392 180055213 /nfs/dbraw/zinc/05/52/13/180055213.db2.gz MERHLTYUTLALDL-CQSZACIVSA-N 1 0 286.306 2.492 10 0 CEAERO CSCCC[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892828 180055333 /nfs/dbraw/zinc/05/53/33/180055333.db2.gz GMYNXIBMMHIHCQ-LBPRGKRZSA-N 1 0 255.358 2.472 10 0 CEAERO Fc1ccc2c(c1)C[C@@H](C[NH2+]CCOCC(F)(F)F)O2 ZINC000090892812 180055450 /nfs/dbraw/zinc/05/54/50/180055450.db2.gz CEFOOVGDNNBXRR-NSHDSACASA-N 1 0 293.260 2.298 10 0 CEAERO C[NH2+][C@@H](CC[C@H]1Cc2cc(F)ccc2O1)COC ZINC000090893991 180056077 /nfs/dbraw/zinc/05/60/77/180056077.db2.gz URVJQOAHBFZIBO-STQMWFEESA-N 1 0 253.317 2.144 10 0 CEAERO CC[C@](C)([NH3+])COC[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893723 180056337 /nfs/dbraw/zinc/05/63/37/180056337.db2.gz FJBFCQAPVMWZJK-JSGCOSHPSA-N 1 0 253.317 2.273 10 0 CEAERO C[NH2+]Cc1cnc(C)n1C[C@H]1Cc2cc(F)ccc2O1 ZINC000090895630 180056459 /nfs/dbraw/zinc/05/64/59/180056459.db2.gz BZBCWWWEQNPBTN-CQSZACIVSA-N 1 0 275.327 2.054 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[NH2+]Cc1cnc(C)cn1)O2 ZINC000090897968 180057253 /nfs/dbraw/zinc/05/72/53/180057253.db2.gz NTOZBRKPWOSMOD-OAHLLOKOSA-N 1 0 269.348 2.187 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](COCC1CC[NH2+]CC1)O2 ZINC000090899114 180058189 /nfs/dbraw/zinc/05/81/89/180058189.db2.gz ZOUBRGBFXJKHCL-HNNXBMFYSA-N 1 0 261.365 2.315 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](CC1(C[NH3+])CCOCC1)O2 ZINC000090901508 180059278 /nfs/dbraw/zinc/05/92/78/180059278.db2.gz QNEIDYKFULBRKZ-AWEZNQCLSA-N 1 0 261.365 2.444 10 0 CEAERO C[N@H+](CC1CC(O)C1)C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090901057 180059366 /nfs/dbraw/zinc/05/93/66/180059366.db2.gz SEHDCVDOHIBXGL-DBRPNBKGSA-N 1 0 281.783 2.346 10 0 CEAERO CCC1CCC(C[NH3+])(N2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000090905673 180059581 /nfs/dbraw/zinc/05/95/81/180059581.db2.gz JVLWNMJSYDIVOZ-HFDVOGEKSA-N 1 0 252.402 2.147 10 0 CEAERO [NH3+]C[C@@H](c1ccc(Cl)s1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905602 180059617 /nfs/dbraw/zinc/05/96/17/180059617.db2.gz NFKPKBDBXWFFOC-AEJSXWLSSA-N 1 0 272.801 2.265 10 0 CEAERO Cc1ccnc2[nH]c(-c3csc([C@H](C)[NH3+])n3)nc21 ZINC000090934777 180067284 /nfs/dbraw/zinc/06/72/84/180067284.db2.gz HTZSKOHNJSEDLE-ZETCQYMHSA-N 1 0 259.338 2.410 10 0 CEAERO C[NH2+][C@@H](CN1C[C@H]2CC[C@@H](C1)O2)c1cc(C)ccc1OC ZINC000090906134 180060711 /nfs/dbraw/zinc/06/07/11/180060711.db2.gz AQCYVJLLFYJZNX-LZWOXQAQSA-N 1 0 290.407 2.127 10 0 CEAERO O=C(CCN1C[C@H]2CC[C@@H](C1)O2)c1ccccc1F ZINC000090907419 180060813 /nfs/dbraw/zinc/06/08/13/180060813.db2.gz KMAJTIGPLUNILJ-TXEJJXNPSA-N 1 0 263.312 2.262 10 0 CEAERO Cc1ccc2[nH]c(-c3csc(CC[NH3+])n3)nc2c1 ZINC000090934625 180067317 /nfs/dbraw/zinc/06/73/17/180067317.db2.gz KTPBMMWUJQOGAY-UHFFFAOYSA-N 1 0 258.350 2.496 10 0 CEAERO CC[NH2+][C@@H](CCN1C[C@H]2CC[C@@H](C1)O2)C(C)(C)C ZINC000090907513 180061647 /nfs/dbraw/zinc/06/16/47/180061647.db2.gz XSNVLKZUEXCVRZ-MJBXVCDLSA-N 1 0 254.418 2.264 10 0 CEAERO [NH3+]CCc1nc(C(=O)Nc2ccc3ncccc3c2)cs1 ZINC000090953897 180073812 /nfs/dbraw/zinc/07/38/12/180073812.db2.gz XRUIQWJDVLUABZ-UHFFFAOYSA-N 1 0 298.371 2.445 10 0 CEAERO C[C@@H](Cc1ccccc1)NC(=O)c1csc(CC[NH3+])n1 ZINC000090954204 180073841 /nfs/dbraw/zinc/07/38/41/180073841.db2.gz YWRPNFVBYGLPNI-NSHDSACASA-N 1 0 289.404 2.005 10 0 CEAERO CC[C@@H]1CC[C@@H](NC(=O)c2csc(CC[NH3+])n2)[C@@H]1C ZINC000090957486 180074706 /nfs/dbraw/zinc/07/47/06/180074706.db2.gz MKRXETOIZKXUJN-GMTAPVOTSA-N 1 0 281.425 2.199 10 0 CEAERO CO[C@H]1CCC[C@@H]1[NH2+]Cc1sccc1NC(C)=O ZINC000090960556 180075338 /nfs/dbraw/zinc/07/53/38/180075338.db2.gz JFBJIKBBTBHOHF-JQWIXIFHSA-N 1 0 268.382 2.364 10 0 CEAERO CCOC(=O)N1CCC([NH2+]Cc2sccc2N)CC1 ZINC000090959035 180075347 /nfs/dbraw/zinc/07/53/47/180075347.db2.gz HGLWAEAYTJZDPO-UHFFFAOYSA-N 1 0 283.397 2.041 10 0 CEAERO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccccc1N ZINC000090961876 180076277 /nfs/dbraw/zinc/07/62/77/180076277.db2.gz DLERDYCFYSRAGG-CQSZACIVSA-N 1 0 256.353 2.170 10 0 CEAERO CC(=O)Nc1ccccc1C[NH2+][C@H]1CCCC[C@H]1O ZINC000090962552 180077497 /nfs/dbraw/zinc/07/74/97/180077497.db2.gz FIIQYXDYXLZMOV-LSDHHAIUSA-N 1 0 262.353 2.038 10 0 CEAERO [NH3+][C@H](c1ccc2[nH]c(=O)oc2c1)[C@H]1Cc2ccccc21 ZINC000090983886 180080233 /nfs/dbraw/zinc/08/02/33/180080233.db2.gz VXUJDTPJTQSXSD-SWLSCSKDSA-N 1 0 266.300 2.461 10 0 CEAERO [NH3+]CCN(C(=O)[C@@H]1Cc2ccccc21)C1CCCCC1 ZINC000090987167 180080878 /nfs/dbraw/zinc/08/08/78/180080878.db2.gz HPYBXVSNGFTDLG-MRXNPFEDSA-N 1 0 272.392 2.446 10 0 CEAERO CCC(C)(C)NC(=O)Cn1cc(C[NH3+])c2ccccc21 ZINC000090995016 180082791 /nfs/dbraw/zinc/08/27/91/180082791.db2.gz OSRZNWBLQUIANR-UHFFFAOYSA-N 1 0 273.380 2.405 10 0 CEAERO CCC[NH2+]Cc1cn(CCC(=O)NC)c2ccccc12 ZINC000090995468 180082803 /nfs/dbraw/zinc/08/28/03/180082803.db2.gz DPAPCBSCZLIWAK-UHFFFAOYSA-N 1 0 273.380 2.277 10 0 CEAERO CCC(C)(C)NC(=O)Cn1cccc1C[NH2+]C(C)C ZINC000091001127 180083156 /nfs/dbraw/zinc/08/31/56/180083156.db2.gz JFSHAUUVJJFKHQ-UHFFFAOYSA-N 1 0 265.401 2.291 10 0 CEAERO CCc1noc(Cn2cccc2C[NH2+]C(C)(C)C)n1 ZINC000091001688 180083315 /nfs/dbraw/zinc/08/33/15/180083315.db2.gz LUFBBFLWADFPOO-UHFFFAOYSA-N 1 0 262.357 2.370 10 0 CEAERO CC(C)c1nc(Cn2cccc2C[NH2+]C2CC2)no1 ZINC000091001475 180083327 /nfs/dbraw/zinc/08/33/27/180083327.db2.gz YHBMQADNHFTRLQ-UHFFFAOYSA-N 1 0 260.341 2.295 10 0 CEAERO CCC[NH2+]Cc1cccn1Cc1cc(COC)on1 ZINC000091000976 180083345 /nfs/dbraw/zinc/08/33/45/180083345.db2.gz DVRDIOXSNFVHJS-UHFFFAOYSA-N 1 0 263.341 2.170 10 0 CEAERO CC(C)C[NH2+]Cc1cccn1CC(=O)NC(C)(C)C ZINC000091001857 180083525 /nfs/dbraw/zinc/08/35/25/180083525.db2.gz REWOZWXYTBNWJT-UHFFFAOYSA-N 1 0 265.401 2.148 10 0 CEAERO CC(C)C[NH2+]Cc1ccn(CC(=O)NC(C)(C)C)c1 ZINC000091004403 180083915 /nfs/dbraw/zinc/08/39/15/180083915.db2.gz IDENSDYHNAUHFT-UHFFFAOYSA-N 1 0 265.401 2.148 10 0 CEAERO Cc1cc(Cn2cccc2C[NH2+]CC(C)C)n(C)n1 ZINC000091001953 180084229 /nfs/dbraw/zinc/08/42/29/180084229.db2.gz PXQCGIFYALWISO-UHFFFAOYSA-N 1 0 260.385 2.324 10 0 CEAERO CCCn1ccc(C[NH2+]CCCC(=O)OCC)c1 ZINC000091015893 180086470 /nfs/dbraw/zinc/08/64/70/180086470.db2.gz MNRZVUFRBKMRHV-UHFFFAOYSA-N 1 0 252.358 2.331 10 0 CEAERO CCC[NH2+]Cc1cn(CCC(=O)N(C)C)c2ncccc12 ZINC000091020417 180087898 /nfs/dbraw/zinc/08/78/98/180087898.db2.gz BLBSKCVQLIJQKH-UHFFFAOYSA-N 1 0 288.395 2.014 10 0 CEAERO c1c(C[NH2+]C2CC2)c2cccnc2n1C[C@@H]1CCCO1 ZINC000091020834 180088197 /nfs/dbraw/zinc/08/81/97/180088197.db2.gz GZNLQZCVHMXDBN-AWEZNQCLSA-N 1 0 271.364 2.467 10 0 CEAERO CCn1cccc1C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000091022965 180088733 /nfs/dbraw/zinc/08/87/33/180088733.db2.gz CUQZFBKBBKRICA-CQSZACIVSA-N 1 0 272.348 2.438 10 0 CEAERO C[C@@H]([NH3+])Cc1cn(CCOC(F)(F)F)c2ncccc12 ZINC000091021582 180088854 /nfs/dbraw/zinc/08/88/54/180088854.db2.gz RLNBXTOBEGIYHF-SECBINFHSA-N 1 0 287.285 2.462 10 0 CEAERO CC(C)Cn1cnnc1-c1csc([C@H](C)[NH3+])n1 ZINC000090945135 180069229 /nfs/dbraw/zinc/06/92/29/180069229.db2.gz VJBJCPKYUSCPJX-QMMMGPOBSA-N 1 0 251.359 2.077 10 0 CEAERO [NH3+]CCc1nc(C(=O)Nc2cccc3cccnc32)cs1 ZINC000090945466 180069793 /nfs/dbraw/zinc/06/97/93/180069793.db2.gz GHPOKCWUHOOJIV-UHFFFAOYSA-N 1 0 298.371 2.445 10 0 CEAERO Cc1cc2nc(C[C@H]3CSCC[NH2+]3)[nH]c2cc1C ZINC000091128647 180100295 /nfs/dbraw/zinc/10/02/95/180100295.db2.gz SMIHNWMRBIAPTG-NSHDSACASA-N 1 0 261.394 2.427 10 0 CEAERO CC(C)NC(=O)C[C@H](C[NH3+])N(C)Cc1cccc(Cl)c1 ZINC000091318361 180133477 /nfs/dbraw/zinc/13/34/77/180133477.db2.gz DEZVMLKWJSMAOV-CQSZACIVSA-N 1 0 297.830 2.014 10 0 CEAERO CCC(CC)C[N@H+](CC)[C@@H](CN)CC(=O)N(CC)CC ZINC000091322771 180134396 /nfs/dbraw/zinc/13/43/96/180134396.db2.gz GOHHGHFSYHHWGT-OAHLLOKOSA-N 1 0 285.476 2.330 10 0 CEAERO CCC(CC)C[N@H+](CC)[C@H](CN)CC(=O)N1CCCC1 ZINC000091323398 180134485 /nfs/dbraw/zinc/13/44/85/180134485.db2.gz IJJSZLNIEDWDQD-HNNXBMFYSA-N 1 0 283.460 2.084 10 0 CEAERO Cc1cccc(CN(C)[C@@H](C[NH3+])CC(=O)NC(C)(C)C)c1 ZINC000091321103 180134509 /nfs/dbraw/zinc/13/45/09/180134509.db2.gz DRQYIBBHHZPGKZ-OAHLLOKOSA-N 1 0 291.439 2.059 10 0 CEAERO Cc1ccccc1CN(C)[C@@H](C[NH3+])CC(=O)NC(C)(C)C ZINC000091321108 180134525 /nfs/dbraw/zinc/13/45/25/180134525.db2.gz MHGYTMFDBOOPFW-OAHLLOKOSA-N 1 0 291.439 2.059 10 0 CEAERO Cc1ccc(N[C@@H](C[NH3+])CC(=O)NC(C)(C)C)cc1 ZINC000091321828 180134650 /nfs/dbraw/zinc/13/46/50/180134650.db2.gz GTHITBOYXWJIML-CYBMUJFWSA-N 1 0 263.385 2.039 10 0 CEAERO CC(C)OCC[C@@](C[NH3+])(c1ccccc1)[C@H](C)O ZINC000091327702 180135703 /nfs/dbraw/zinc/13/57/03/180135703.db2.gz PUVQFMCHBLSBPN-ZFWWWQNUSA-N 1 0 251.370 2.079 10 0 CEAERO CCCCOCC[C@@](C[NH3+])(c1ccccc1)[C@H](C)O ZINC000091327610 180135917 /nfs/dbraw/zinc/13/59/17/180135917.db2.gz NAPGLXGYLAXCEM-HOCLYGCPSA-N 1 0 265.397 2.471 10 0 CEAERO COc1ccc(-n2ncc(C[NH3+])c2C(F)F)cc1 ZINC000091338747 180136489 /nfs/dbraw/zinc/13/64/89/180136489.db2.gz DNXXBIURKQTPRE-UHFFFAOYSA-N 1 0 253.252 2.277 10 0 CEAERO O=C(NCc1cccnc1)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000091359220 180140194 /nfs/dbraw/zinc/14/01/94/180140194.db2.gz HRZZNTKCXCZJHP-ILXRZTDVSA-N 1 0 273.380 2.009 10 0 CEAERO O=C(NCCc1nccs1)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091361220 180140988 /nfs/dbraw/zinc/14/09/88/180140988.db2.gz LWNPNNMRHOJCSH-AVGNSLFASA-N 1 0 293.436 2.113 10 0 CEAERO CN(C[C@@H]1CCCCO1)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091360650 180141225 /nfs/dbraw/zinc/14/12/25/180141225.db2.gz GVUBSAGLKHVPOW-VGWMRTNUSA-N 1 0 294.439 2.325 10 0 CEAERO C[C@@H]1COCCN1C[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091362267 180141464 /nfs/dbraw/zinc/14/14/64/180141464.db2.gz JGSAPZCUBOAQEW-QPSCCSFWSA-N 1 0 252.402 2.018 10 0 CEAERO CC[NH2+][C@H]1C(=O)Nc2cc(SC[C@@H](C)CO)ccc21 ZINC000091256922 180115533 /nfs/dbraw/zinc/11/55/33/180115533.db2.gz SWUFSFVBAZMCRA-TVQRCGJNSA-N 1 0 280.393 2.010 10 0 CEAERO CC(C)n1cncc1CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000091272938 180117836 /nfs/dbraw/zinc/11/78/36/180117836.db2.gz KISWXFIJOGYKGH-HOCLYGCPSA-N 1 0 276.428 2.428 10 0 CEAERO CN(c1ccccc1)[C@H](C[NH3+])c1cncn1C1CC1 ZINC000091276155 180118553 /nfs/dbraw/zinc/11/85/53/180118553.db2.gz COPRDCSSBZQJMT-CQSZACIVSA-N 1 0 256.353 2.354 10 0 CEAERO NC(=O)[C@@H]([NH2+]C1CCCCCC1)c1cncn1C1CC1 ZINC000091276796 180119549 /nfs/dbraw/zinc/11/95/49/180119549.db2.gz XFAVEAAYOPAJNO-AWEZNQCLSA-N 1 0 276.384 2.057 10 0 CEAERO C[C@@H]([NH3+])CCc1ccc(OCc2cncn2C)cc1 ZINC000091278225 180120993 /nfs/dbraw/zinc/12/09/93/180120993.db2.gz SIMCWAVEKKJIBD-GFCCVEGCSA-N 1 0 259.353 2.279 10 0 CEAERO Cc1ccnc(Cl)c1NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000091291780 180122620 /nfs/dbraw/zinc/12/26/20/180122620.db2.gz QVFBQNCSNZGTGO-VIFPVBQESA-N 1 0 285.800 2.077 10 0 CEAERO CCC(CC)[C@H](C)NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000091291468 180122894 /nfs/dbraw/zinc/12/28/94/180122894.db2.gz CICJFJOZHXPCBB-JQWIXIFHSA-N 1 0 258.431 2.022 10 0 CEAERO C(CN1CCC[C@H]2CCC[C@H]21)[C@@H]1CSCC[NH2+]1 ZINC000091292358 180123530 /nfs/dbraw/zinc/12/35/30/180123530.db2.gz ZJVQHYJTEPZKIQ-MGPQQGTHSA-N 1 0 254.443 2.346 10 0 CEAERO C[NH2+]Cc1cncc(Oc2ccc(F)c(F)c2)n1 ZINC000091434963 180154276 /nfs/dbraw/zinc/15/42/76/180154276.db2.gz AUYCIIKKJNIYCW-UHFFFAOYSA-N 1 0 251.236 2.267 10 0 CEAERO C[NH2+]Cc1cncc(OCc2ccccc2Cl)n1 ZINC000091433518 180154435 /nfs/dbraw/zinc/15/44/35/180154435.db2.gz AGEYXOBJCOSDHW-UHFFFAOYSA-N 1 0 263.728 2.428 10 0 CEAERO CCS(=O)(=O)CCC[C@]1(C(C)(C)C)CCC[NH2+]1 ZINC000091445979 180157027 /nfs/dbraw/zinc/15/70/27/180157027.db2.gz IMKHIZFFUXQQEC-ZDUSSCGKSA-N 1 0 261.431 2.370 10 0 CEAERO CCC[NH2+]CC[C@@](C)(O)c1ccc(OC)c(F)c1 ZINC000091466798 180164382 /nfs/dbraw/zinc/16/43/82/180164382.db2.gz GHOZWMFRJHLSAD-CQSZACIVSA-N 1 0 255.333 2.432 10 0 CEAERO CN(CC1CC([NH3+])C1)c1cccc(C(F)(F)F)n1 ZINC000091470887 180164862 /nfs/dbraw/zinc/16/48/62/180164862.db2.gz KEVGTQQYTVTMKF-UHFFFAOYSA-N 1 0 259.275 2.274 10 0 CEAERO CC1(C)C(C(=O)N2CCC[C@H]2[C@H]2CCC[NH2+]2)C1(C)C ZINC000091492685 180170426 /nfs/dbraw/zinc/17/04/26/180170426.db2.gz UFFHEBVGOUHHMY-NEPJUHHUSA-N 1 0 264.413 2.412 10 0 CEAERO COCC[NH2+]CC[C@@](C)(O)Cc1ccc(F)cc1Cl ZINC000091502926 180175315 /nfs/dbraw/zinc/17/53/15/180175315.db2.gz JKBJRUKSCIUXEU-CQSZACIVSA-N 1 0 289.778 2.399 10 0 CEAERO C[C@@H](C(=O)c1ccccc1)N1CCC[C@H]([NH+](C)C)C1 ZINC000091394782 180146554 /nfs/dbraw/zinc/14/65/54/180146554.db2.gz OLCYPQUEQBJHGH-ZFWWWQNUSA-N 1 0 260.381 2.284 10 0 CEAERO COc1ccc(C(C)(C)C)cc1NC(=O)C1C[NH2+]C1 ZINC000091395830 180146668 /nfs/dbraw/zinc/14/66/68/180146668.db2.gz CEEQZYBJLPMRMG-UHFFFAOYSA-N 1 0 262.353 2.151 10 0 CEAERO CCC[NH2+][C@@H](C)C(C)(C)CN1C[C@H]2CC[C@@H](C1)O2 ZINC000091405589 180147627 /nfs/dbraw/zinc/14/76/27/180147627.db2.gz XQTQXGWKLMZOMW-MELADBBJSA-N 1 0 254.418 2.264 10 0 CEAERO C[C@H](O)C(C)(C)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000091405643 180147718 /nfs/dbraw/zinc/14/77/18/180147718.db2.gz IKBAIMXHFFRXEQ-HNNXBMFYSA-N 1 0 276.424 2.211 10 0 CEAERO C[C@@H](c1ccccc1F)N(C)c1cncc(C[NH3+])n1 ZINC000091421290 180150935 /nfs/dbraw/zinc/15/09/35/180150935.db2.gz NWCCEDROLXRVIB-JTQLQIEISA-N 1 0 260.316 2.272 10 0 CEAERO CCNc1cc(CN2CCC[C@H]([NH+](C)C)C2)ccn1 ZINC000091427176 180151919 /nfs/dbraw/zinc/15/19/19/180151919.db2.gz TYBOYXICLHWTON-AWEZNQCLSA-N 1 0 262.401 2.039 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)NC[C@@H](C)[N@H+](C)C2CC2)o1 ZINC000105087027 186040452 /nfs/dbraw/zinc/04/04/52/186040452.db2.gz IADNSBCEAPFQJA-PWSUYJOCSA-N 1 0 279.384 2.431 10 0 CEAERO C[NH2+][C@H](c1c(F)cccc1F)C(C)(C)N1CCOCC1 ZINC000091566554 180194232 /nfs/dbraw/zinc/19/42/32/180194232.db2.gz GFTHGPZTQYKQBE-CQSZACIVSA-N 1 0 284.350 2.336 10 0 CEAERO Cc1ccc(C)c(C[C@@H]([NH3+])C(C)(C)N2CCOCC2)c1 ZINC000091566270 180194242 /nfs/dbraw/zinc/19/42/42/180194242.db2.gz RGQLFPLGCPVPMK-MRXNPFEDSA-N 1 0 276.424 2.284 10 0 CEAERO C[NH2+][C@@H](Cc1ccc(F)cc1F)C(C)(C)N1CCOCC1 ZINC000091566701 180194735 /nfs/dbraw/zinc/19/47/35/180194735.db2.gz XQNVCFMNVKZBHA-HNNXBMFYSA-N 1 0 298.377 2.206 10 0 CEAERO Cc1cc(C[C@H](O)C(C)(C)[NH+]2CCCCCC2)n(C)n1 ZINC000091567580 180194829 /nfs/dbraw/zinc/19/48/29/180194829.db2.gz YWFQRTIQRJVGDA-HNNXBMFYSA-N 1 0 279.428 2.287 10 0 CEAERO C[NH2+][C@@H](Cc1cnn(C)c1)C(C)(C)N1CCCCCC1 ZINC000091568175 180194996 /nfs/dbraw/zinc/19/49/96/180194996.db2.gz GTMYQFQQEUPWIJ-HNNXBMFYSA-N 1 0 278.444 2.205 10 0 CEAERO C[NH2+][C@H](Cc1cccnc1N)C(C)(C)N1CCCCCC1 ZINC000091568200 180195050 /nfs/dbraw/zinc/19/50/50/180195050.db2.gz LQBHZNLIZHAUJI-OAHLLOKOSA-N 1 0 290.455 2.449 10 0 CEAERO CC[C@@](C)([C@H](Cc1nn(C)c2ccccc12)[NH2+]C)N(C)C ZINC000091570370 180195467 /nfs/dbraw/zinc/19/54/67/180195467.db2.gz FCBCZCKZAFVKGJ-IRXDYDNUSA-N 1 0 288.439 2.434 10 0 CEAERO CC[C@](C)([C@@H](O)Cc1ncc(C)c(OC)c1C)[NH+](C)C ZINC000091569115 180195486 /nfs/dbraw/zinc/19/54/86/180195486.db2.gz CSQFYXHSUKGHCM-GOEBONIOSA-N 1 0 280.412 2.341 10 0 CEAERO CCCn1ccnc1[C@@H](NC)[C@@](C)(CC)[NH+](C)C ZINC000091570785 180195640 /nfs/dbraw/zinc/19/56/40/180195640.db2.gz XDPVQLMXAYOZOU-TZMCWYRMSA-N 1 0 252.406 2.284 10 0 CEAERO CC[C@](C)([C@H](O)c1ccc(OC)cc1OC)[NH+](C)C ZINC000091569525 180195665 /nfs/dbraw/zinc/19/56/65/180195665.db2.gz SQAXSXGKWHNJHU-HUUCEWRRSA-N 1 0 267.369 2.468 10 0 CEAERO CC[C@](C)([C@H](O)c1cc(Cl)cnc1N)[NH+](C)C ZINC000091569125 180195790 /nfs/dbraw/zinc/19/57/90/180195790.db2.gz XWXSWJRSPBOZMS-ZYHUDNBSSA-N 1 0 257.765 2.081 10 0 CEAERO CCC[NH2+][C@H](Cc1ncnn1CCC)[C@@](C)(CC)N(C)C ZINC000091572201 180196345 /nfs/dbraw/zinc/19/63/45/180196345.db2.gz QGLHIAVRJJSVIB-GDBMZVCRSA-N 1 0 295.475 2.329 10 0 CEAERO CCc1cc(C[C@@H](O)[C@](C)(CC)[NH+](CC)CC)n(C)n1 ZINC000091572959 180196353 /nfs/dbraw/zinc/19/63/53/180196353.db2.gz ROHQDDYMIJILRV-CVEARBPZSA-N 1 0 281.444 2.396 10 0 CEAERO CC[NH+](CC)[C@](C)(CC)[C@@H](N)Cc1ncnn1CC(C)C ZINC000091573475 180196602 /nfs/dbraw/zinc/19/66/02/180196602.db2.gz OWEKZTIWOPPQIK-GOEBONIOSA-N 1 0 295.475 2.314 10 0 CEAERO CCCn1ncnc1C[C@H](N)[C@@](C)(CC)[NH+](CC)CC ZINC000091574048 180197171 /nfs/dbraw/zinc/19/71/71/180197171.db2.gz SKPBGIIAKKUNMG-DZGCQCFKSA-N 1 0 281.448 2.068 10 0 CEAERO CCCc1nn(C)c(NC[C@H](C)[NH+]2CCCCC2)c1N ZINC000091579133 180198235 /nfs/dbraw/zinc/19/82/35/180198235.db2.gz ZKLRUHUUIOGNKC-LBPRGKRZSA-N 1 0 279.432 2.241 10 0 CEAERO CC(C)c1nn(C)c(N[C@@H](C)C[NH+]2CCCC2)c1N ZINC000091580867 180198871 /nfs/dbraw/zinc/19/88/71/180198871.db2.gz XVWJFMPMTKRXRN-NSHDSACASA-N 1 0 265.405 2.022 10 0 CEAERO CC[NH+](CC)C[C@@H](C)Nc1c(N)c(C(C)C)nn1C ZINC000091582476 180199102 /nfs/dbraw/zinc/19/91/02/180199102.db2.gz VHLBPAYLBHXTLR-LLVKDONJSA-N 1 0 267.421 2.268 10 0 CEAERO CCn1nc(C)cc1C[C@@H](O)[C@@](C)(CC)[NH+]1CCCC1 ZINC000091602558 180203528 /nfs/dbraw/zinc/20/35/28/180203528.db2.gz XEOFHNLGVTVNDU-HZPDHXFCSA-N 1 0 279.428 2.379 10 0 CEAERO CCC1CCC(NC(=O)N2CCN(C3CC3)CC2)CC1 ZINC000105164109 186044472 /nfs/dbraw/zinc/04/44/72/186044472.db2.gz YFFMTMDLUXAWSY-UHFFFAOYSA-N 1 0 279.428 2.445 10 0 CEAERO CC[C@](C)([C@@H](O)c1cccnc1N)[NH+]1CCCCC1 ZINC000091608552 180205289 /nfs/dbraw/zinc/20/52/89/180205289.db2.gz UFJUXUAOFKVLDS-DZGCQCFKSA-N 1 0 263.385 2.352 10 0 CEAERO CC[C@@](C)([C@@H](N)Cc1cccnc1N)[NH+]1CCCCC1 ZINC000091609151 180205491 /nfs/dbraw/zinc/20/54/91/180205491.db2.gz ZLOSACPTEAGMIJ-HOCLYGCPSA-N 1 0 276.428 2.188 10 0 CEAERO CC[C@@](C)([C@@H](O)Cc1ccc(C)cc1)[NH+]1CCOCC1 ZINC000091611327 180206180 /nfs/dbraw/zinc/20/61/80/180206180.db2.gz UFJYYANPWVCQAQ-IRXDYDNUSA-N 1 0 277.408 2.399 10 0 CEAERO CC[C@](C)([C@@H]([NH3+])c1ccccc1OC)N1CCOCC1 ZINC000091611636 180206207 /nfs/dbraw/zinc/20/62/07/180206207.db2.gz GUYZWWOGEOVYER-JKSUJKDBSA-N 1 0 278.396 2.196 10 0 CEAERO CC[C@](C)([C@H](O)CC1CCCC1)[NH+]1CCOCC1 ZINC000091611214 180206381 /nfs/dbraw/zinc/20/63/81/180206381.db2.gz AKXASBBTILOFLN-HUUCEWRRSA-N 1 0 255.402 2.429 10 0 CEAERO CC[C@@](C)([C@H]([NH3+])Cc1ccccc1F)N1CCOCC1 ZINC000091611565 180206833 /nfs/dbraw/zinc/20/68/33/180206833.db2.gz KZAMACGYPMXSRY-CVEARBPZSA-N 1 0 280.387 2.196 10 0 CEAERO CC[C@](C)([C@H]([NH3+])CCc1ccccc1)N1CCOCC1 ZINC000091612154 180206934 /nfs/dbraw/zinc/20/69/34/180206934.db2.gz ASQRBRQRTAVCLG-IAGOWNOFSA-N 1 0 276.424 2.447 10 0 CEAERO CC[C@@](C)([C@H]([NH2+]C)c1ccccc1)N1CCOCC1 ZINC000091612441 180207027 /nfs/dbraw/zinc/20/70/27/180207027.db2.gz ODNQHWFSGXBUSJ-CVEARBPZSA-N 1 0 262.397 2.448 10 0 CEAERO CC[C@@](C)([C@H](Cc1ccccc1F)[NH2+]C)N1CCOCC1 ZINC000091612215 180207045 /nfs/dbraw/zinc/20/70/45/180207045.db2.gz OSJZIAVVEWZUKC-IRXDYDNUSA-N 1 0 294.414 2.457 10 0 CEAERO CC[C@](C)([C@@H](Cc1ccsc1)[NH2+]C)N1CCOCC1 ZINC000091612490 180207425 /nfs/dbraw/zinc/20/74/25/180207425.db2.gz OYYCFCKSTXURSE-HUUCEWRRSA-N 1 0 282.453 2.380 10 0 CEAERO CCCn1c2ccc(C)cc2nc1C[C@](C)(O)C[NH3+] ZINC000091522009 180178064 /nfs/dbraw/zinc/17/80/64/180178064.db2.gz RGKHXXDUZGMSPA-HNNXBMFYSA-N 1 0 261.369 2.007 10 0 CEAERO COCC[NH2+]CC[C@@](C)(O)CCc1cccs1 ZINC000091522699 180178267 /nfs/dbraw/zinc/17/82/67/180178267.db2.gz TYXAFCGAKOGKJH-ZDUSSCGKSA-N 1 0 257.399 2.058 10 0 CEAERO CCc1nn(CC)c(C[C@@H](O)C(C)(C)[NH+](C)C)c1Cl ZINC000091528222 180179622 /nfs/dbraw/zinc/17/96/22/180179622.db2.gz GYIVZRIERRYWBO-GFCCVEGCSA-N 1 0 287.835 2.362 10 0 CEAERO CC[C@H](C)n1ccc(C[C@@H](N)C(C)(C)[NH+](C)C)n1 ZINC000091528392 180179998 /nfs/dbraw/zinc/17/99/98/180179998.db2.gz IFNPDIBCMLUGQE-WCQYABFASA-N 1 0 252.406 2.064 10 0 CEAERO CCC[NH2+][C@@H](Cc1cc(CC)nn1C)C(C)(C)N(C)C ZINC000091529492 180180469 /nfs/dbraw/zinc/18/04/69/180180469.db2.gz MJCNHJJIEISIGU-HNNXBMFYSA-N 1 0 280.460 2.233 10 0 CEAERO C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C(C)(C)N(C)C ZINC000091528699 180180580 /nfs/dbraw/zinc/18/05/80/180180580.db2.gz AQMGCOQQBJJERI-AWEZNQCLSA-N 1 0 264.369 2.059 10 0 CEAERO CCc1cc(C[C@@H](O)C(C)(C)[NH+]2CCCC2)n(CC)n1 ZINC000091532890 180181486 /nfs/dbraw/zinc/18/14/86/180181486.db2.gz DTXNZLGRWFFUIT-OAHLLOKOSA-N 1 0 279.428 2.243 10 0 CEAERO COc1cccc(C[C@H](O)C(C)(C)[NH+]2CCCC2)c1 ZINC000091533483 180181521 /nfs/dbraw/zinc/18/15/21/180181521.db2.gz YRIWONQUUSWDNI-HNNXBMFYSA-N 1 0 263.381 2.473 10 0 CEAERO COC(=O)c1ccc(Cl)cc1NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091541944 180183782 /nfs/dbraw/zinc/18/37/82/180183782.db2.gz QCXPBNBFRAVRIZ-SCZZXKLOSA-N 1 0 296.754 2.193 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](C(=O)Nc2ccc(-c3c[nH]cn3)cc2)C1 ZINC000091543562 180185266 /nfs/dbraw/zinc/18/52/66/180185266.db2.gz KTBNEXRJRHHUCK-VXGBXAGGSA-N 1 0 270.336 2.143 10 0 CEAERO CC(C)OC(=O)c1ccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)cc1 ZINC000091546617 180186985 /nfs/dbraw/zinc/18/69/85/180186985.db2.gz OSBHMDZGGCITAT-STQMWFEESA-N 1 0 290.363 2.318 10 0 CEAERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(C(C)C)C2=O)s1 ZINC000105034612 186038547 /nfs/dbraw/zinc/03/85/47/186038547.db2.gz UWEJBRPAGIWSOK-GHMZBOCLSA-N 1 0 280.393 2.243 10 0 CEAERO [NH3+][C@H]1CC[C@@H](C(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000091546748 180187475 /nfs/dbraw/zinc/18/74/75/180187475.db2.gz WOKTVIZDMNZDEQ-NEPJUHHUSA-N 1 0 283.375 2.180 10 0 CEAERO [NH3+][C@@H]1CC[C@H](C(=O)Nc2cnc3ccccc3c2)C1 ZINC000091548037 180187628 /nfs/dbraw/zinc/18/76/28/180187628.db2.gz JBCSLQGSTOTOMR-NWDGAFQWSA-N 1 0 255.321 2.301 10 0 CEAERO CCN(Cc1cccc(C)c1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091548271 180187986 /nfs/dbraw/zinc/18/79/86/180187986.db2.gz IVFVLGDKKCJZDF-CABCVRRESA-N 1 0 260.381 2.471 10 0 CEAERO CCn1nc(C)c(N)c1NCCC[N@@H+]1CCCC[C@@H]1C ZINC000091549798 180188725 /nfs/dbraw/zinc/18/87/25/180188725.db2.gz QDDJEOLVUKNNTD-LBPRGKRZSA-N 1 0 279.432 2.470 10 0 CEAERO CCn1cc(C[C@H](N)C(CC)(CC)[NH+]2CCCC2)cn1 ZINC000091634803 180210765 /nfs/dbraw/zinc/21/07/65/180210765.db2.gz DVTAIMAFFLFMGG-HNNXBMFYSA-N 1 0 278.444 2.427 10 0 CEAERO CCCn1ccnc1[C@H](O)C1([NH+](C)C)CCCC1 ZINC000091636880 180211182 /nfs/dbraw/zinc/21/11/82/180211182.db2.gz DBDLFBFTWUUHSO-LBPRGKRZSA-N 1 0 251.374 2.201 10 0 CEAERO CC[NH+](CC)C1([C@@H](NC)c2nccn2C)CCCC1 ZINC000091639488 180212266 /nfs/dbraw/zinc/21/22/66/180212266.db2.gz YCBWUVYPOWCCMM-ZDUSSCGKSA-N 1 0 264.417 2.335 10 0 CEAERO CC[NH+](CC)C1(C(=O)CCCS(C)(=O)=O)CCCC1 ZINC000091638577 180212295 /nfs/dbraw/zinc/21/22/95/180212295.db2.gz LZACVQFKRLIMDY-UHFFFAOYSA-N 1 0 289.441 2.035 10 0 CEAERO CCCn1nccc1[C@H]([NH2+]C)C1(N(C)C)CCCC1 ZINC000091637641 180212645 /nfs/dbraw/zinc/21/26/45/180212645.db2.gz HLKGKWKJPMDYBW-AWEZNQCLSA-N 1 0 264.417 2.428 10 0 CEAERO COc1cccc([C@H]([NH3+])C2(N3CCOCC3)CCCC2)c1 ZINC000091642885 180214165 /nfs/dbraw/zinc/21/41/65/180214165.db2.gz GSKCBJMFSFBFPK-INIZCTEOSA-N 1 0 290.407 2.340 10 0 CEAERO CC(C)n1ncnc1CC(=O)C1([NH+](C)C)CCCCC1 ZINC000091646520 180215267 /nfs/dbraw/zinc/21/52/67/180215267.db2.gz UOLGOQAQJZTDJU-UHFFFAOYSA-N 1 0 278.400 2.235 10 0 CEAERO C[NH+](C)C1([C@@H](N)CC2CCOCC2)CCCCC1 ZINC000091647055 180215311 /nfs/dbraw/zinc/21/53/11/180215311.db2.gz UBFCIDZYFMEDOF-AWEZNQCLSA-N 1 0 254.418 2.395 10 0 CEAERO CCn1cc([C@H](O)C2([NH+](C)C)CCC(C)CC2)cn1 ZINC000091648411 180215876 /nfs/dbraw/zinc/21/58/76/180215876.db2.gz FCIPJTZNWFBJOP-BLZCZZARSA-N 1 0 265.401 2.447 10 0 CEAERO CN[C@@H](c1cnccn1)C1([NH+](C)C)CCCCCC1 ZINC000091654416 180216970 /nfs/dbraw/zinc/21/69/70/180216970.db2.gz PYGDRKBCYROPII-AWEZNQCLSA-N 1 0 262.401 2.392 10 0 CEAERO C[NH2+][C@H](Cc1cnccc1N)[C@@]1(N(C)C)CCC[C@@H](C)C1 ZINC000091652615 180217310 /nfs/dbraw/zinc/21/73/10/180217310.db2.gz NTWKJIRFGPJXHY-KBRIMQKVSA-N 1 0 290.455 2.305 10 0 CEAERO CCCN(CC[NH+](C)C)c1nc(Cl)ncc1C ZINC000091658824 180218242 /nfs/dbraw/zinc/21/82/42/180218242.db2.gz PHARWFBEFOSIBB-UHFFFAOYSA-N 1 0 256.781 2.216 10 0 CEAERO Cc1cnc(Cl)nc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000091659079 180218817 /nfs/dbraw/zinc/21/88/17/180218817.db2.gz SYKITFVQBPWFCD-NSHDSACASA-N 1 0 266.776 2.113 10 0 CEAERO c1ccc(CCC[NH2+]C[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000091666174 180222627 /nfs/dbraw/zinc/22/26/27/180222627.db2.gz KTXSPLHPBLUPEK-IAGOWNOFSA-N 1 0 274.408 2.072 10 0 CEAERO Cc1nc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)sc1C ZINC000091672620 180223864 /nfs/dbraw/zinc/22/38/64/180223864.db2.gz ALRZXJDMFQUQJV-NEPJUHHUSA-N 1 0 267.398 2.035 10 0 CEAERO CC[NH+](CC)CCC(=O)Cc1c(Cl)c(C)nn1C ZINC000091687976 180226179 /nfs/dbraw/zinc/22/61/79/180226179.db2.gz BGSZGXAZWBAEQW-UHFFFAOYSA-N 1 0 271.792 2.225 10 0 CEAERO CC[C@H](C)n1ccc(C[C@@H](O)CC[NH+](CC)CC)n1 ZINC000091714337 180231567 /nfs/dbraw/zinc/23/15/67/180231567.db2.gz AIXLWGLQNRCCGQ-ZFWWWQNUSA-N 1 0 267.417 2.489 10 0 CEAERO CN1CCO[C@@H]([C@@H]([NH3+])Cc2ccc(C(C)(C)C)cc2)C1 ZINC000091717094 180232091 /nfs/dbraw/zinc/23/20/91/180232091.db2.gz UCCBMVIZRQHODZ-JKSUJKDBSA-N 1 0 276.424 2.185 10 0 CEAERO Cc1ccc([C@H](O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(C)c1 ZINC000091715622 180232111 /nfs/dbraw/zinc/23/21/11/180232111.db2.gz GFMDKIGRARWBTQ-KBMXLJTQSA-N 1 0 261.365 2.200 10 0 CEAERO CCCN[C@H](CC[NH+](CC)CC)c1cnccn1 ZINC000091716769 180232120 /nfs/dbraw/zinc/23/21/20/180232120.db2.gz CDVDFRWGRZSZSX-CYBMUJFWSA-N 1 0 250.390 2.249 10 0 CEAERO CC[NH2+][C@H](Cc1ccc(CC)s1)[C@@H]1CN(C)CCO1 ZINC000091718763 180233162 /nfs/dbraw/zinc/23/31/62/180233162.db2.gz QCYCAZXHPCKGHK-CABCVRRESA-N 1 0 282.453 2.162 10 0 CEAERO CC[NH2+][C@H](c1ccc(F)c(F)c1F)[C@H]1CN(C)CCO1 ZINC000091718737 180233312 /nfs/dbraw/zinc/23/33/12/180233312.db2.gz MJXSFSZRHJUXHA-BXUZGUMPSA-N 1 0 288.313 2.085 10 0 CEAERO CC[NH2+][C@@H](Cc1cc(C)ccc1C)[C@@H]1CN(C)CCO1 ZINC000091718630 180233463 /nfs/dbraw/zinc/23/34/63/180233463.db2.gz GBDRUYJLPNLYBP-IRXDYDNUSA-N 1 0 276.424 2.155 10 0 CEAERO CCC[NH2+][C@@H](c1ccccc1OC)[C@H]1CN(C)CCO1 ZINC000091718988 180233532 /nfs/dbraw/zinc/23/35/32/180233532.db2.gz RXMZTKJEGSACFW-CVEARBPZSA-N 1 0 278.396 2.067 10 0 CEAERO CCC[NH2+][C@@H](Cc1cccc(C)c1)[C@H]1CN(C)CCO1 ZINC000091719244 180234172 /nfs/dbraw/zinc/23/41/72/180234172.db2.gz DYYYEMLMCPVFTQ-DLBZAZTESA-N 1 0 276.424 2.236 10 0 CEAERO CCC[NH2+][C@H](Cc1ccccc1C)[C@H]1CN(C)CCO1 ZINC000091719277 180234184 /nfs/dbraw/zinc/23/41/84/180234184.db2.gz WWGXPMBMKMCLRJ-IAGOWNOFSA-N 1 0 276.424 2.236 10 0 CEAERO CC[NH2+][C@@H](Cc1ccnc2ccccc12)CN(C)C ZINC000091719762 180234353 /nfs/dbraw/zinc/23/43/53/180234353.db2.gz PHJDYPCLMXCPEX-AWEZNQCLSA-N 1 0 257.381 2.317 10 0 CEAERO CCC[NH2+][C@H](c1cccs1)[C@H]1CN(C)CCO1 ZINC000091719541 180234367 /nfs/dbraw/zinc/23/43/67/180234367.db2.gz WKPLMHNIAGTBPN-YPMHNXCESA-N 1 0 254.399 2.119 10 0 CEAERO CCC[NH2+][C@H](C[C@H]1Cc2ccccc21)[C@@H]1CN(C)CCO1 ZINC000091719081 180234386 /nfs/dbraw/zinc/23/43/86/180234386.db2.gz JTGOTZQKMHIELD-NXHRZFHOSA-N 1 0 288.435 2.415 10 0 CEAERO CCC[NH2+][C@H](Cc1ccn([C@@H](C)CC)n1)CN(C)C ZINC000091719929 180234393 /nfs/dbraw/zinc/23/43/93/180234393.db2.gz DYNCGSIABSAUAW-DZGCQCFKSA-N 1 0 266.433 2.326 10 0 CEAERO CCC[NH2+][C@@H](Cc1cc(F)ccc1F)[C@@H]1CN(C)CCO1 ZINC000091719270 180234590 /nfs/dbraw/zinc/23/45/90/180234590.db2.gz JIMFEDLILWEPCI-HOTGVXAUSA-N 1 0 298.377 2.206 10 0 CEAERO CC[NH2+][C@H]1CC(C)(C)Cc2nc(CN(C)C)ncc21 ZINC000091722681 180239644 /nfs/dbraw/zinc/23/96/44/180239644.db2.gz CFTYQNTVKBSSOM-LBPRGKRZSA-N 1 0 262.401 2.161 10 0 CEAERO C[NH2+][C@H](c1ccc(F)cc1F)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091720938 180236563 /nfs/dbraw/zinc/23/65/63/180236563.db2.gz AUIQFEHXSVSXGR-BYCMXARLSA-N 1 0 282.334 2.089 10 0 CEAERO C[NH2+][C@H](CC1CCCC1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091720918 180236569 /nfs/dbraw/zinc/23/65/69/180236569.db2.gz ZHYNHASXTKXQSJ-KFWWJZLASA-N 1 0 252.402 2.018 10 0 CEAERO O[C@H]1COCC[C@H]1[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000624238044 350241359 /nfs/dbraw/zinc/24/13/59/350241359.db2.gz JCYWLAYOKAVQQV-AXVKAWJUSA-N 1 0 281.783 2.325 10 0 CEAERO CCc1ccc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)o1 ZINC000091762780 180248260 /nfs/dbraw/zinc/24/82/60/180248260.db2.gz BJKXAEDDLGDDNJ-MNOVXSKESA-N 1 0 250.342 2.041 10 0 CEAERO C[C@H]([NH3+])c1cccn1CC(=O)Nc1ccccc1F ZINC000091800079 180259387 /nfs/dbraw/zinc/25/93/87/180259387.db2.gz QOBRWDUSNRIULB-JTQLQIEISA-N 1 0 261.300 2.286 10 0 CEAERO CCc1ccc(-c2nc(C[C@H]3CCC[NH2+]C3)no2)o1 ZINC000091776795 180251434 /nfs/dbraw/zinc/25/14/34/180251434.db2.gz HRRGXQRUMZBQJL-SNVBAGLBSA-N 1 0 261.325 2.434 10 0 CEAERO CC[NH2+][C@@H](C)c1cccn1CC(=O)N[C@@H](C)CC ZINC000091801521 180259123 /nfs/dbraw/zinc/25/91/23/180259123.db2.gz BGVQRBLNVPCEMS-RYUDHWBXSA-N 1 0 251.374 2.073 10 0 CEAERO CC[NH2+][C@H](C)c1cnc([C@@H]2CN3CCC[C@@H]3CO2)s1 ZINC000091722495 180240667 /nfs/dbraw/zinc/24/06/67/180240667.db2.gz OCQAPQAATZLVQF-UTUOFQBUSA-N 1 0 281.425 2.349 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+][C@H]2C[C@H](OC)C2)c1C ZINC000624298703 350255064 /nfs/dbraw/zinc/25/50/64/350255064.db2.gz XSEFVGISAZOHBX-XDTLVQLUSA-N 1 0 251.374 2.348 10 0 CEAERO CCN(C(=O)c1c(C)noc1C)C1CCC([NH3+])CC1 ZINC000091850367 180272506 /nfs/dbraw/zinc/27/25/06/180272506.db2.gz FXFDYZVFFCLXGJ-UHFFFAOYSA-N 1 0 265.357 2.023 10 0 CEAERO CCCN(c1ncnc2onc(C)c21)C1CCC([NH3+])CC1 ZINC000091852638 180272661 /nfs/dbraw/zinc/27/26/61/180272661.db2.gz NZVMSVYZUGNSHT-UHFFFAOYSA-N 1 0 289.383 2.413 10 0 CEAERO CCCN(C(=O)c1ccco1)C1CCC([NH3+])CC1 ZINC000091851836 180272777 /nfs/dbraw/zinc/27/27/77/180272777.db2.gz UEENFKIMRKENTO-UHFFFAOYSA-N 1 0 250.342 2.402 10 0 CEAERO CCCN(C(=O)[C@@H](O)c1ccccc1)C1CCC([NH3+])CC1 ZINC000091852053 180273208 /nfs/dbraw/zinc/27/32/08/180273208.db2.gz SWVCLTPHBPTMDA-GPANFISMSA-N 1 0 290.407 2.229 10 0 CEAERO CCCn1cncc1C[N@H+](C)C1CCC2(CC1)OCCO2 ZINC000091853678 180273538 /nfs/dbraw/zinc/27/35/38/180273538.db2.gz XGBJWFZOBIHRNE-UHFFFAOYSA-N 1 0 293.411 2.411 10 0 CEAERO C[N@H+](C[C@H](O)c1ccccc1)C1CCC2(CC1)OCCO2 ZINC000091853539 180273611 /nfs/dbraw/zinc/27/36/11/180273611.db2.gz RHKAQOKAUJNSMX-INIZCTEOSA-N 1 0 291.391 2.338 10 0 CEAERO CCC[NH2+][C@H](C)c1cccn1CC(=O)NC(C)C ZINC000091802468 180259816 /nfs/dbraw/zinc/25/98/16/180259816.db2.gz BXGYMBZGBSKXOO-GFCCVEGCSA-N 1 0 251.374 2.073 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccn(CCC(=O)N(C)C)c1 ZINC000091805950 180260642 /nfs/dbraw/zinc/26/06/42/180260642.db2.gz ZDZKJAHRPWJYBW-LBPRGKRZSA-N 1 0 251.374 2.027 10 0 CEAERO CC[C@@H]([NH3+])c1ccn(Cc2ncc(Cl)n2C)c1 ZINC000091816248 180261482 /nfs/dbraw/zinc/26/14/82/180261482.db2.gz AMMJRYNEVRXAQN-SNVBAGLBSA-N 1 0 252.749 2.333 10 0 CEAERO CC[C@@H]([NH3+])c1ccn(Cc2ncnn2CC(C)C)c1 ZINC000091816278 180262133 /nfs/dbraw/zinc/26/21/33/180262133.db2.gz WDNGNWZNSMCZJI-CYBMUJFWSA-N 1 0 261.373 2.194 10 0 CEAERO CC[C@H]([NH2+]C)c1ccn(CC(=O)NCCC(C)C)c1 ZINC000091816735 180263119 /nfs/dbraw/zinc/26/31/19/180263119.db2.gz IDUVOSJSPLDDMM-AWEZNQCLSA-N 1 0 265.401 2.321 10 0 CEAERO CC[NH2+][C@@H](CC)c1ccn(CCOCCOC)c1 ZINC000091817195 180263382 /nfs/dbraw/zinc/26/33/82/180263382.db2.gz MNWKDUBVOJHHEN-AWEZNQCLSA-N 1 0 254.374 2.212 10 0 CEAERO CCC[NH2+][C@@H](CC)c1ccn(CC(=O)NCC)c1 ZINC000091817953 180263421 /nfs/dbraw/zinc/26/34/21/180263421.db2.gz CGOZGXTWJWTTHC-ZDUSSCGKSA-N 1 0 251.374 2.075 10 0 CEAERO CC(C)NC(=O)CCn1ccc([C@H]([NH3+])C(C)C)c1 ZINC000091825516 180264722 /nfs/dbraw/zinc/26/47/22/180264722.db2.gz DDWQMJSIORQXMS-CQSZACIVSA-N 1 0 251.374 2.059 10 0 CEAERO CCS(=O)(=O)CCCn1ccc([C@@H]([NH2+]C)C(C)C)c1 ZINC000091827366 180265221 /nfs/dbraw/zinc/26/52/21/180265221.db2.gz MNFGMIVCLYKAHG-AWEZNQCLSA-N 1 0 286.441 2.229 10 0 CEAERO CC[C@H]1CCC[C@](O)(C2(C[NH3+])CCOCC2)CC1 ZINC000091923372 180287545 /nfs/dbraw/zinc/28/75/45/180287545.db2.gz KNXBDSZXDGCSRE-DZGCQCFKSA-N 1 0 255.402 2.463 10 0 CEAERO CCCn1cncc1[C@H](O)[C@]1(C[NH3+])CCc2ccccc21 ZINC000091926345 180287756 /nfs/dbraw/zinc/28/77/56/180287756.db2.gz QKJCZZXURQAOOW-IRXDYDNUSA-N 1 0 285.391 2.169 10 0 CEAERO C[C@H](c1nc2ccc(F)cc2s1)N1CC[NH2+]CC1 ZINC000091939582 180289433 /nfs/dbraw/zinc/28/94/33/180289433.db2.gz XQVVPWKYYSWIJM-SECBINFHSA-N 1 0 265.357 2.402 10 0 CEAERO C[C@@]1(c2nc3ccc(F)cc3s2)COC[C@@H]1[NH3+] ZINC000091939626 180289608 /nfs/dbraw/zinc/28/96/08/180289608.db2.gz SAMKPPORSFOBGZ-CMPLNLGQSA-N 1 0 252.314 2.051 10 0 CEAERO CCCN(C(=O)N(CC)CC)C1(C[NH3+])CCCC1 ZINC000091961636 180293090 /nfs/dbraw/zinc/29/30/90/180293090.db2.gz MJWZDOFRKODOMS-UHFFFAOYSA-N 1 0 255.406 2.432 10 0 CEAERO CCN(CC)C(=O)N1CCC[C@H](C[NH2+]C(C)C)C1 ZINC000091962073 180293296 /nfs/dbraw/zinc/29/32/96/180293296.db2.gz WPWOHDFBCDFJQN-CYBMUJFWSA-N 1 0 255.406 2.158 10 0 CEAERO CCN(CC)C(=O)N(CC(F)(F)F)C1CC[NH2+]CC1 ZINC000091961680 180293324 /nfs/dbraw/zinc/29/33/24/180293324.db2.gz FRNGBOXENBLSIY-UHFFFAOYSA-N 1 0 281.322 2.065 10 0 CEAERO CCCN(C(=O)N1CCCC1)C1CCC([NH3+])CC1 ZINC000091968582 180294566 /nfs/dbraw/zinc/29/45/66/180294566.db2.gz SXKFSCNYGRAADF-UHFFFAOYSA-N 1 0 253.390 2.184 10 0 CEAERO C[NH2+]C1CCC(N(C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000091870887 180277144 /nfs/dbraw/zinc/27/71/44/180277144.db2.gz BDFGOUYQVJOIST-UHFFFAOYSA-N 1 0 296.436 2.057 10 0 CEAERO CC[NH2+]C1CCC(N(C)c2nc(C)cc(C)n2)CC1 ZINC000091870812 180277256 /nfs/dbraw/zinc/27/72/56/180277256.db2.gz QPTAVAWGTPLBBW-UHFFFAOYSA-N 1 0 262.401 2.450 10 0 CEAERO [NH3+]CC[C@@H]1CN(C(=O)N2CCCC2)c2ccccc21 ZINC000091968519 180294649 /nfs/dbraw/zinc/29/46/49/180294649.db2.gz VRNJNOCGOCBAIZ-GFCCVEGCSA-N 1 0 259.353 2.155 10 0 CEAERO C[C@@H]1CCC[C@@](C[NH3+])(N(C)C(=O)N2CCCCC2)C1 ZINC000091969092 180294653 /nfs/dbraw/zinc/29/46/53/180294653.db2.gz ABVSYPXOKCYRTO-UKRRQHHQSA-N 1 0 267.417 2.432 10 0 CEAERO C[NH2+]C1CCC(NC(=O)/C=C/c2ccc(OC)cc2)CC1 ZINC000091871559 180277956 /nfs/dbraw/zinc/27/79/56/180277956.db2.gz CEEBTOJIXLLFEC-LFYBBSHMSA-N 1 0 288.391 2.355 10 0 CEAERO C[NH2+]C1CCC(N(C)c2ccc(Cl)cc2C(N)=O)CC1 ZINC000091873666 180278842 /nfs/dbraw/zinc/27/88/42/180278842.db2.gz BYMQFJDSBPYRBK-UHFFFAOYSA-N 1 0 295.814 2.406 10 0 CEAERO CC(C)(C)C1CCC(O)([C@@]2(C[NH3+])CCOC2)CC1 ZINC000091904951 180283772 /nfs/dbraw/zinc/28/37/72/180283772.db2.gz CXNQXZZBZHHHHP-HNFVBEJKSA-N 1 0 255.402 2.319 10 0 CEAERO COc1ccc2ccccc2c1[C@H](O)[C@]1(C[NH3+])CCOC1 ZINC000091908632 180284609 /nfs/dbraw/zinc/28/46/09/180284609.db2.gz HJUQTJFUHHXZKN-IRXDYDNUSA-N 1 0 287.359 2.247 10 0 CEAERO CC(C)(C[NH3+])[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000091909985 180284648 /nfs/dbraw/zinc/28/46/48/180284648.db2.gz LMDKNIVNPUJNEU-GFCCVEGCSA-N 1 0 271.744 2.130 10 0 CEAERO [NH3+]C[C@]1([C@@H](O)c2ccco2)CCc2ccccc2C1 ZINC000091909542 180284886 /nfs/dbraw/zinc/28/48/86/180284886.db2.gz YRNOHNOVEQWTMC-HOTGVXAUSA-N 1 0 257.333 2.447 10 0 CEAERO [NH3+]C[C@@]1([C@H](O)c2ccccc2C(F)(F)F)CCOC1 ZINC000091910860 180285228 /nfs/dbraw/zinc/28/52/28/180285228.db2.gz UJEPEQCSVWOQTC-NEPJUHHUSA-N 1 0 275.270 2.104 10 0 CEAERO [NH3+]C[C@]1([C@H](O)[C@@H]2CCCOC2)CCCc2ccccc21 ZINC000091913556 180285236 /nfs/dbraw/zinc/28/52/36/180285236.db2.gz FPTJOJSLDGTHLJ-DJIMGWMZSA-N 1 0 275.392 2.007 10 0 CEAERO [NH3+]C[C@]1([C@H](O)c2csc3ccccc32)CCOC1 ZINC000091912258 180285240 /nfs/dbraw/zinc/28/52/40/180285240.db2.gz AUACOJVIDYGXRE-ZIAGYGMSSA-N 1 0 263.362 2.300 10 0 CEAERO CC[C@@]1(C)C[C@@](O)(C2(C[NH3+])Cc3ccccc3C2)CCO1 ZINC000091919137 180286496 /nfs/dbraw/zinc/28/64/96/180286496.db2.gz WCTVIUVYUVHOLB-FUHWJXTLSA-N 1 0 289.419 2.441 10 0 CEAERO [NH3+]CC1([C@]2(O)CCC[C@@H](C3CC3)C2)CCOCC1 ZINC000091920304 180286796 /nfs/dbraw/zinc/28/67/96/180286796.db2.gz YUTHCUXJCGUFIU-HIFRSBDPSA-N 1 0 253.386 2.073 10 0 CEAERO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)N1CCCCCC1 ZINC000091971548 180295615 /nfs/dbraw/zinc/29/56/15/180295615.db2.gz AMZRHHCSHFXCSV-ZDUSSCGKSA-N 1 0 265.401 2.247 10 0 CEAERO CN(C(=O)N1CCCCCC1)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000091971711 180295724 /nfs/dbraw/zinc/29/57/24/180295724.db2.gz FUYCKJZOZKCHRS-UONOGXRCSA-N 1 0 267.417 2.432 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1CNC(=O)N1CCCCCC1 ZINC000091971971 180295740 /nfs/dbraw/zinc/29/57/40/180295740.db2.gz RHRBKSFXYZNLLG-KBPBESRZSA-N 1 0 267.417 2.337 10 0 CEAERO C[C@H]1CCCN(C(=O)N[C@H](C[NH3+])c2ccccc2)C1 ZINC000091972832 180296014 /nfs/dbraw/zinc/29/60/14/180296014.db2.gz DQGCNFSYFABYFK-GXTWGEPZSA-N 1 0 261.369 2.128 10 0 CEAERO CCN(C(=O)N1CCC[C@H](C)C1)[C@@](C)(CC)C[NH3+] ZINC000091972929 180296235 /nfs/dbraw/zinc/29/62/35/180296235.db2.gz LOVURJQMGDDUHM-JSGCOSHPSA-N 1 0 255.406 2.288 10 0 CEAERO C[C@@H]1CCCN(C(=O)N2CC[NH2+]CC23CCCCC3)C1 ZINC000091991391 180299818 /nfs/dbraw/zinc/29/98/18/180299818.db2.gz CFPGPUMXPGNAHI-CQSZACIVSA-N 1 0 279.428 2.446 10 0 CEAERO C[C@@H]1CCCN(C(=O)NC[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000091993226 180300385 /nfs/dbraw/zinc/30/03/85/180300385.db2.gz WOODDTIHOUUGAG-MGPQQGTHSA-N 1 0 267.417 2.193 10 0 CEAERO Cc1ccc(O)c(C[NH2+][C@@H]2CCC[C@@H]2n2ccnc2)n1 ZINC000091994159 180301075 /nfs/dbraw/zinc/30/10/75/180301075.db2.gz ZJHBQIVWUYZJRG-OCCSQVGLSA-N 1 0 272.352 2.176 10 0 CEAERO CC[NH2+]Cc1nc(C)ccc1O[C@@H](C)C(=O)N(CC)CC ZINC000091994663 180301414 /nfs/dbraw/zinc/30/14/14/180301414.db2.gz FRSIBYBJQWHSPH-ZDUSSCGKSA-N 1 0 293.411 2.135 10 0 CEAERO Cc1ccc(OCC(=O)NC(C)(C)C)c(C[NH2+]C(C)C)n1 ZINC000091995579 180301861 /nfs/dbraw/zinc/30/18/61/180301861.db2.gz LOADMOAFYVVVMG-UHFFFAOYSA-N 1 0 293.411 2.182 10 0 CEAERO CCC[NH2+]Cc1nc(C)ccc1OC[C@@H](O)CC ZINC000091995154 180302228 /nfs/dbraw/zinc/30/22/28/180302228.db2.gz XTPZIHGEPGAXMR-LBPRGKRZSA-N 1 0 252.358 2.039 10 0 CEAERO CC[C@H](C)Oc1ccc(C)nc1C[NH2+]CCOC ZINC000091996524 180302308 /nfs/dbraw/zinc/30/23/08/180302308.db2.gz CFMKMNXYFGVEON-LBPRGKRZSA-N 1 0 252.358 2.303 10 0 CEAERO Cc1ccc(OCc2cncn2C)c(C[NH2+]C(C)C)n1 ZINC000091995404 180302550 /nfs/dbraw/zinc/30/25/50/180302550.db2.gz FZUDZAHUJBYINL-UHFFFAOYSA-N 1 0 274.368 2.201 10 0 CEAERO Cc1ccc(O)c(CN2CCC[C@@H](C[NH2+]C(C)C)C2)n1 ZINC000091996088 180302561 /nfs/dbraw/zinc/30/25/61/180302561.db2.gz OBDSOZFDDJPNSF-AWEZNQCLSA-N 1 0 277.412 2.306 10 0 CEAERO Cc1cc(COc2ccc(C)nc2C[C@H](C)[NH3+])no1 ZINC000092000277 180303529 /nfs/dbraw/zinc/30/35/29/180303529.db2.gz UVVYDRDYYCLNQW-VIFPVBQESA-N 1 0 261.325 2.155 10 0 CEAERO CCCCOC(=O)COc1ccc(C)nc1C[C@@H](C)[NH3+] ZINC000092000278 180303551 /nfs/dbraw/zinc/30/35/51/180303551.db2.gz NDAYBGUMSZKTJO-LLVKDONJSA-N 1 0 280.368 2.002 10 0 CEAERO CCCCOCCOc1ccc(C)nc1C[C@H](C)[NH3+] ZINC000092000259 180303609 /nfs/dbraw/zinc/30/36/09/180303609.db2.gz NGHXUZDBZNAYRW-LBPRGKRZSA-N 1 0 266.385 2.475 10 0 CEAERO Cc1ccc(OCCc2ccncc2)c(C[C@@H](C)[NH3+])n1 ZINC000092000206 180303931 /nfs/dbraw/zinc/30/39/31/180303931.db2.gz JUNDZEHSCXOHGP-GFCCVEGCSA-N 1 0 271.364 2.296 10 0 CEAERO O[C@H](C[NH2+]CC1(O)CCCCCC1)COc1ccccc1 ZINC000092021187 180307884 /nfs/dbraw/zinc/30/78/84/180307884.db2.gz GIMGVZXZWKKTAP-OAHLLOKOSA-N 1 0 293.407 2.101 10 0 CEAERO CCC[NH2+][C@H](C)c1cccc(-n2ccc(C(=O)NC)n2)c1 ZINC000092024193 180308658 /nfs/dbraw/zinc/30/86/58/180308658.db2.gz PBBNJVCFXPTRCU-GFCCVEGCSA-N 1 0 286.379 2.293 10 0 CEAERO CCCCN(CC)S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092115519 180327275 /nfs/dbraw/zinc/32/72/75/180327275.db2.gz JXUSQRFTKMOLCC-UHFFFAOYSA-N 1 0 288.388 2.095 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)Nc1ccc(-c2coc(C)n2)cc1 ZINC000092133365 180331151 /nfs/dbraw/zinc/33/11/51/180331151.db2.gz PCNRPXPAHSGBEN-JTQLQIEISA-N 1 0 273.336 2.444 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)Nc1cccc(-n2cccc2)c1 ZINC000092133780 180331465 /nfs/dbraw/zinc/33/14/65/180331465.db2.gz GVWNEUOBXMNBNP-GFCCVEGCSA-N 1 0 257.337 2.271 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)Nc1cccc(NC(=O)C(C)(C)C)c1 ZINC000092136244 180333374 /nfs/dbraw/zinc/33/33/74/180333374.db2.gz KXOYCQSNHZRNNL-LLVKDONJSA-N 1 0 291.395 2.465 10 0 CEAERO COC(C)(C)c1noc(C2([NH3+])CCC(C)CC2)n1 ZINC000092137725 180333506 /nfs/dbraw/zinc/33/35/06/180333506.db2.gz ZZDSMRQZPBNPTF-UHFFFAOYSA-N 1 0 253.346 2.315 10 0 CEAERO CCc1cc(C[C@H]([NH2+]C)C(C)(C)OC)n(CC)n1 ZINC000092139029 180333579 /nfs/dbraw/zinc/33/35/79/180333579.db2.gz NTFNMWHGHUEVQP-ZDUSSCGKSA-N 1 0 253.390 2.021 10 0 CEAERO COc1cccc([C@H](C[NH3+])N2C[C@H](C)[C@H](C)C2)c1OC ZINC000092082799 180319412 /nfs/dbraw/zinc/31/94/12/180319412.db2.gz OQNJSUNWGCTGTQ-SCRDCRAPSA-N 1 0 278.396 2.291 10 0 CEAERO Cc1cccc(N)c1NC(=O)C[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000092081513 180319626 /nfs/dbraw/zinc/31/96/26/180319626.db2.gz FIZJDGYVLJQXFV-VXGBXAGGSA-N 1 0 261.369 2.104 10 0 CEAERO Cc1nn(C)c(N2C[C@H](C)[C@H](C)C2)c1C[NH2+]C1CC1 ZINC000092086718 180320147 /nfs/dbraw/zinc/32/01/47/180320147.db2.gz CLVYUHLTWSZSES-PHIMTYICSA-N 1 0 262.401 2.073 10 0 CEAERO CCC[C@@]1(C(=O)N2C[C@H](C)[C@H](C)C2)CCC[NH2+]C1 ZINC000092090660 180322250 /nfs/dbraw/zinc/32/22/50/180322250.db2.gz LUZILFCSFKMMCV-VNHYZAJKSA-N 1 0 252.402 2.271 10 0 CEAERO CCCC1(C(=O)N2C[C@H](C)[C@H](C)C2)CC[NH2+]CC1 ZINC000092090521 180322530 /nfs/dbraw/zinc/32/25/30/180322530.db2.gz YSJQMNAHRYBFCP-BETUJISGSA-N 1 0 252.402 2.271 10 0 CEAERO Cc1ccc(NC(=O)[C@H]2C=C[C@H]([NH3+])C2)cc1Cl ZINC000092201107 180342637 /nfs/dbraw/zinc/34/26/37/180342637.db2.gz WVFSDAUPDZBGIR-UWVGGRQHSA-N 1 0 250.729 2.490 10 0 CEAERO CCOc1ccc(NC(=O)[C@H]2C=C[C@H]([NH3+])C2)cc1OCC ZINC000092201360 180342687 /nfs/dbraw/zinc/34/26/87/180342687.db2.gz MLUIKECYWMBXNT-RYUDHWBXSA-N 1 0 290.363 2.326 10 0 CEAERO Cc1c(Cl)cccc1NC(=O)[C@@H]1C=C[C@H]([NH3+])C1 ZINC000092201210 180342736 /nfs/dbraw/zinc/34/27/36/180342736.db2.gz ZWLHFCVBPXQQFS-ZJUUUORDSA-N 1 0 250.729 2.490 10 0 CEAERO CCOCc1ccccc1NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092202179 180342879 /nfs/dbraw/zinc/34/28/79/180342879.db2.gz JWVGOYVWZPEYPF-DGCLKSJQSA-N 1 0 260.337 2.065 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)N(Cc2ccccc2)CC(F)(F)F)C1 ZINC000092204580 180343612 /nfs/dbraw/zinc/34/36/12/180343612.db2.gz CIZNNRLVBPXMAR-OLZOCXBDSA-N 1 0 298.308 2.481 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)N(Cc2ccccc2)CC(F)(F)F)C1 ZINC000092204577 180343629 /nfs/dbraw/zinc/34/36/29/180343629.db2.gz CIZNNRLVBPXMAR-QWHCGFSZSA-N 1 0 298.308 2.481 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)N2CCC[C@@H]2c2cccs2)C1 ZINC000092204474 180343694 /nfs/dbraw/zinc/34/36/94/180343694.db2.gz YYEVOCNWUHFSER-QJPTWQEYSA-N 1 0 262.378 2.315 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)Nc2ccc(N3CCCC3)cc2)C1 ZINC000092203816 180343888 /nfs/dbraw/zinc/34/38/88/180343888.db2.gz WQHMHRNGTSOPJV-OLZOCXBDSA-N 1 0 271.364 2.129 10 0 CEAERO CCN(Cc1ccc(OC)c(F)c1)C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092204534 180343937 /nfs/dbraw/zinc/34/39/37/180343937.db2.gz OEZFWBODNVHXSV-CHWSQXEVSA-N 1 0 292.354 2.086 10 0 CEAERO Cc1ccc2cccc(NC(=O)[C@H]3C=C[C@@H]([NH3+])C3)c2n1 ZINC000092207453 180344185 /nfs/dbraw/zinc/34/41/85/180344185.db2.gz IQLCQANDQJCACI-QWHCGFSZSA-N 1 0 267.332 2.385 10 0 CEAERO C[C@H](CCc1ccccc1)NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092206812 180344191 /nfs/dbraw/zinc/34/41/91/180344191.db2.gz PTHFDFKAZLUKNX-BPLDGKMQSA-N 1 0 258.365 2.027 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)NCc2cccc3ccccc32)C1 ZINC000092207295 180344203 /nfs/dbraw/zinc/34/42/03/180344203.db2.gz RPTGSRINVGIPNA-DZGCQCFKSA-N 1 0 266.344 2.359 10 0 CEAERO Cc1ccc2cccc(NC(=O)[C@@H]3C=C[C@H]([NH3+])C3)c2n1 ZINC000092207456 180344299 /nfs/dbraw/zinc/34/42/99/180344299.db2.gz IQLCQANDQJCACI-OLZOCXBDSA-N 1 0 267.332 2.385 10 0 CEAERO COc1ccc(Cl)c(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)c1 ZINC000092207029 180344304 /nfs/dbraw/zinc/34/43/04/180344304.db2.gz DYKSPUORQLFXDI-DTWKUNHWSA-N 1 0 266.728 2.191 10 0 CEAERO CC(C)(C)C1CCN(C(=O)[C@H]2C=C[C@H]([NH3+])C2)CC1 ZINC000092207225 180344356 /nfs/dbraw/zinc/34/43/56/180344356.db2.gz JHQHIDKPEPKYES-AAEUAGOBSA-N 1 0 250.386 2.175 10 0 CEAERO CC(C)[C@@H]1CCCN(C(=O)[C@@H]2C=C[C@@H]([NH3+])C2)CC1 ZINC000092207967 180344771 /nfs/dbraw/zinc/34/47/71/180344771.db2.gz HMJKVQZSGNNTBZ-MGPQQGTHSA-N 1 0 250.386 2.175 10 0 CEAERO CCOC(=O)c1cc(C)sc1NC(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092207665 180344860 /nfs/dbraw/zinc/34/48/60/180344860.db2.gz YYSPLDIOLAQBML-VHSXEESVSA-N 1 0 294.376 2.075 10 0 CEAERO CC[NH2+]Cc1ccnn1C[C@@H]1COc2ccccc21 ZINC000092306712 180360185 /nfs/dbraw/zinc/36/01/85/180360185.db2.gz BGXDOSXZDGASIS-GFCCVEGCSA-N 1 0 257.337 2.169 10 0 CEAERO CSc1ccccc1C(=O)N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000092231798 180348120 /nfs/dbraw/zinc/34/81/20/180348120.db2.gz IPXGDAKUEKRKIA-NWDGAFQWSA-N 1 0 264.394 2.408 10 0 CEAERO COCC[NH2+]C[C@@]1(C[C@@H]2COc3ccccc32)CCOC1 ZINC000092306247 180360265 /nfs/dbraw/zinc/36/02/65/180360265.db2.gz CZURVZHLPALPTJ-PBHICJAKSA-N 1 0 291.391 2.195 10 0 CEAERO CSc1ccccc1C(=O)N1CC[C@H](C)[C@@H]([NH3+])C1 ZINC000092232208 180348356 /nfs/dbraw/zinc/34/83/56/180348356.db2.gz FKFHXBWLEGQGPM-JQWIXIFHSA-N 1 0 264.394 2.218 10 0 CEAERO CSc1ccccc1C(=O)N1[C@H](C)C[NH2+]C[C@H]1C ZINC000092232192 180348782 /nfs/dbraw/zinc/34/87/82/180348782.db2.gz QPQOBGGCZXAXKN-GHMZBOCLSA-N 1 0 264.394 2.231 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CSc2ccccc21 ZINC000092239328 180350645 /nfs/dbraw/zinc/35/06/45/180350645.db2.gz VGSNRZGEUSNXAM-TZMCWYRMSA-N 1 0 290.432 2.476 10 0 CEAERO CCC[C@@H](C[NH3+])NC(=O)[C@@H]1CSc2ccccc21 ZINC000092239647 180350783 /nfs/dbraw/zinc/35/07/83/180350783.db2.gz NSZYXWBDOHDLGR-CMPLNLGQSA-N 1 0 264.394 2.120 10 0 CEAERO C[C@H]([NH3+])Cc1noc([C@@H]2CSc3ccccc32)n1 ZINC000092240239 180351428 /nfs/dbraw/zinc/35/14/28/180351428.db2.gz NNTVDDGHZCUWPP-WCBMZHEXSA-N 1 0 261.350 2.197 10 0 CEAERO CCCNC(=O)CC[NH2+]C[C@@H]1Cc2ccccc2S1 ZINC000092243713 180351593 /nfs/dbraw/zinc/35/15/93/180351593.db2.gz IVWYEZSPLHKJAV-ZDUSSCGKSA-N 1 0 278.421 2.209 10 0 CEAERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(F)cc1 ZINC000105871171 186081015 /nfs/dbraw/zinc/08/10/15/186081015.db2.gz VELJRYFZBKWPIZ-GWCFXTLKSA-N 1 0 260.316 2.083 10 0 CEAERO CC[C@@H]1C[NH2+]CCN1C[C@@H]1Cc2ccccc2S1 ZINC000092263333 180354837 /nfs/dbraw/zinc/35/48/37/180354837.db2.gz KMNLUTBHFOBKKD-KGLIPLIRSA-N 1 0 262.422 2.387 10 0 CEAERO CC(C)N(CC[NH3+])C[C@H]1Cc2ccccc2S1 ZINC000092262961 180354919 /nfs/dbraw/zinc/35/49/19/180354919.db2.gz CUIUTMXWVRNSFO-CYBMUJFWSA-N 1 0 250.411 2.373 10 0 CEAERO COCC[NH2+]CCN(C)C[C@H]1CSc2ccccc21 ZINC000092288497 180357961 /nfs/dbraw/zinc/35/79/61/180357961.db2.gz XIAPIQNUBLBDCD-ZDUSSCGKSA-N 1 0 280.437 2.044 10 0 CEAERO C[C@H]([NH3+])[C@@H]1CCCCN1C[C@@H]1COc2ccccc21 ZINC000092298059 180358662 /nfs/dbraw/zinc/35/86/62/180358662.db2.gz INXMXXQRRJIZBV-GUTXKFCHSA-N 1 0 260.381 2.364 10 0 CEAERO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](CCOC(C)C)C2)n1 ZINC000105884999 186083486 /nfs/dbraw/zinc/08/34/86/186083486.db2.gz VDVZPTZQVMLEMX-OAHLLOKOSA-N 1 0 280.416 2.032 10 0 CEAERO CC[C@H]1CN(Cc2ccc(Cl)nc2)CC[N@@H+]1C[C@@H](C)O ZINC000105826681 186073370 /nfs/dbraw/zinc/07/33/70/186073370.db2.gz ZQIPUCXEBVVBQH-OCCSQVGLSA-N 1 0 297.830 2.012 10 0 CEAERO CC[C@@H]1CN(Cc2ccc(Cl)nc2)CC[N@@H+]1C[C@@H](C)O ZINC000105826678 186074633 /nfs/dbraw/zinc/07/46/33/186074633.db2.gz ZQIPUCXEBVVBQH-TZMCWYRMSA-N 1 0 297.830 2.012 10 0 CEAERO CCCC[NH+]1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105820629 186074956 /nfs/dbraw/zinc/07/49/56/186074956.db2.gz DHZNJOSOISRFTG-MRXNPFEDSA-N 1 0 262.397 2.138 10 0 CEAERO COc1ccc(Cc2noc([C@H]3C=C[C@@H]([NH3+])C3)n2)cc1 ZINC000092181541 180338900 /nfs/dbraw/zinc/33/89/00/180338900.db2.gz WTUPQNYZJKYYRX-NWDGAFQWSA-N 1 0 271.320 2.040 10 0 CEAERO CCOCCN1CC[N@H+](CCc2ccccc2)C[C@@H]1C ZINC000105834966 186076311 /nfs/dbraw/zinc/07/63/11/186076311.db2.gz BMRHUFNZVVEBSQ-INIZCTEOSA-N 1 0 276.424 2.272 10 0 CEAERO CC[NH2+]Cc1nccn1C[C@H]1COc2ccccc21 ZINC000092304785 180360023 /nfs/dbraw/zinc/36/00/23/180360023.db2.gz UENVJHFHVTUVHD-LBPRGKRZSA-N 1 0 257.337 2.169 10 0 CEAERO CCOc1cc(C[NH2+]CCn2cc(C)cn2)ccc1OC ZINC000105908775 186088399 /nfs/dbraw/zinc/08/83/99/186088399.db2.gz WMYMQUBECAGTRD-UHFFFAOYSA-N 1 0 289.379 2.389 10 0 CEAERO COCCCCC[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000105910289 186088632 /nfs/dbraw/zinc/08/86/32/186088632.db2.gz UCPVBBJSPXOJQP-UHFFFAOYSA-N 1 0 292.427 2.194 10 0 CEAERO CCOCCN1CC[N@H+](CCCOC(C)C)C[C@@H]1CC ZINC000105914806 186090007 /nfs/dbraw/zinc/09/00/07/186090007.db2.gz SAHDJRZQBURDNG-INIZCTEOSA-N 1 0 286.460 2.234 10 0 CEAERO CC[NH2+]C[C@H](C)Cc1c(C)nn(-c2ccc(C)nn2)c1C ZINC000092322913 180362361 /nfs/dbraw/zinc/36/23/61/180362361.db2.gz FNVKOHBXOFZKQO-LLVKDONJSA-N 1 0 287.411 2.376 10 0 CEAERO CCn1cnnc1C1CC[NH+](CCCCCOC)CC1 ZINC000105928392 186092634 /nfs/dbraw/zinc/09/26/34/186092634.db2.gz BAWOJNUROZLJNZ-UHFFFAOYSA-N 1 0 280.416 2.294 10 0 CEAERO CCn1cnnc1C1CC[NH+](Cc2ccccn2)CC1 ZINC000105928591 186092771 /nfs/dbraw/zinc/09/27/71/186092771.db2.gz CUJDLQBHBCUVMC-UHFFFAOYSA-N 1 0 271.368 2.073 10 0 CEAERO CCC[NH2+]C[C@H](C)c1c(C)nn(-c2ncccn2)c1C ZINC000092321480 180362492 /nfs/dbraw/zinc/36/24/92/180362492.db2.gz LDODUZXARVUZLA-NSHDSACASA-N 1 0 273.384 2.382 10 0 CEAERO Cc1noc(C)c1[C@H](C)NC(=O)CC[C@H](C)CC[NH3+] ZINC000092329725 180363575 /nfs/dbraw/zinc/36/35/75/180363575.db2.gz WHLMBUZQJRORMZ-UWVGGRQHSA-N 1 0 267.373 2.234 10 0 CEAERO Cc1noc(C)c1CN[C@@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000092329164 180364041 /nfs/dbraw/zinc/36/40/41/180364041.db2.gz HSUJNHRUUBKXNO-GXFFZTMASA-N 1 0 251.374 2.111 10 0 CEAERO COCCN1CC[N@@H+]([C@@H](C)c2ccccc2)C[C@@H]1C ZINC000106110138 186102457 /nfs/dbraw/zinc/10/24/57/186102457.db2.gz KJSBMXYEYWIDLW-GJZGRUSLSA-N 1 0 262.397 2.400 10 0 CEAERO CC[C@H]1CN(Cc2ccc(F)cc2)CC[N@@H+]1CCOC ZINC000106113386 186102889 /nfs/dbraw/zinc/10/28/89/186102889.db2.gz NGVAHFUXQRLZTN-INIZCTEOSA-N 1 0 280.387 2.368 10 0 CEAERO Cc1noc(C)c1[C@@H](C)[NH2+]C[C@@H]1CN(C(C)C)CCO1 ZINC000092339360 180365138 /nfs/dbraw/zinc/36/51/38/180365138.db2.gz DJIOWXOUJKSXRO-BXUZGUMPSA-N 1 0 281.400 2.051 10 0 CEAERO CC[NH2+]C1CCN([C@@H](C)c2c(C)noc2C)CC1 ZINC000092339739 180365248 /nfs/dbraw/zinc/36/52/48/180365248.db2.gz KXGLRISJBFARIX-NSHDSACASA-N 1 0 251.374 2.426 10 0 CEAERO CC[NH2+]C1CCN([C@H](C)c2c(C)noc2C)CC1 ZINC000092339740 180365348 /nfs/dbraw/zinc/36/53/48/180365348.db2.gz KXGLRISJBFARIX-LLVKDONJSA-N 1 0 251.374 2.426 10 0 CEAERO Cc1nn(C)c(C)c1Cn1c(N)[nH+]c2ccc(F)cc21 ZINC000092341048 180365997 /nfs/dbraw/zinc/36/59/97/180365997.db2.gz POJQLBQVEWFZSW-UHFFFAOYSA-N 1 0 273.315 2.156 10 0 CEAERO Cc1noc(C)c1[C@H](C)N1CCC[NH2+][C@H](C2CC2)C1 ZINC000092342416 180366005 /nfs/dbraw/zinc/36/60/05/180366005.db2.gz ZRPHLKPRUQIUMR-FZMZJTMJSA-N 1 0 263.385 2.426 10 0 CEAERO Cc1noc(C)c1CN1CC2(CCCC2)[NH2+]C[C@@H]1C ZINC000092342851 180366705 /nfs/dbraw/zinc/36/67/05/180366705.db2.gz OIKBDSMOCHVOEQ-NSHDSACASA-N 1 0 263.385 2.398 10 0 CEAERO [NH3+]C[C@]1(OCc2ccnc3ccccc23)CCCOC1 ZINC000092347226 180367423 /nfs/dbraw/zinc/36/74/23/180367423.db2.gz PKBUBIXYQGZXPM-MRXNPFEDSA-N 1 0 272.348 2.259 10 0 CEAERO CC[C@@H]1C[NH2+]CCN1Cc1ccnc2ccccc12 ZINC000092348589 180367765 /nfs/dbraw/zinc/36/77/65/180367765.db2.gz VIJJYTSARSZJQE-CQSZACIVSA-N 1 0 255.365 2.419 10 0 CEAERO CNc1cccc(C[NH+]2C[C@H](C)S[C@@H](C)C2)n1 ZINC000092370999 180370462 /nfs/dbraw/zinc/37/04/62/180370462.db2.gz NKCKLGGRQTVZTR-QWRGUYRKSA-N 1 0 251.399 2.449 10 0 CEAERO CCOc1ccccc1OCc1cccc(NN)[nH+]1 ZINC000092371536 180370930 /nfs/dbraw/zinc/37/09/30/180370930.db2.gz XUWLRPYOXSTNGJ-UHFFFAOYSA-N 1 0 259.309 2.345 10 0 CEAERO CCCS(=O)(=O)[C@H]1CCc2ccc(OC)cc2[C@@H]1[NH2+]C ZINC000092388641 180374432 /nfs/dbraw/zinc/37/44/32/180374432.db2.gz SNIBXGUIECGBIV-GJZGRUSLSA-N 1 0 297.420 2.095 10 0 CEAERO CCOCC[N@H+](CC)[C@@H]1CCc2ccc(OC)cc2[C@@H]1O ZINC000092387956 180374479 /nfs/dbraw/zinc/37/44/79/180374479.db2.gz AKVRPRRMHKRNAE-SJORKVTESA-N 1 0 293.407 2.402 10 0 CEAERO CC(C)[C@@H](CO)Nc1cc(C[NH3+])c2ccccc2n1 ZINC000092391553 180375462 /nfs/dbraw/zinc/37/54/62/180375462.db2.gz PAWYZYDDHYIZJS-CQSZACIVSA-N 1 0 259.353 2.122 10 0 CEAERO Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H](CO)C(C)C)o1 ZINC000092392981 180375899 /nfs/dbraw/zinc/37/58/99/180375899.db2.gz FFBLLPCUAWTCFA-LBPRGKRZSA-N 1 0 263.341 2.085 10 0 CEAERO [NH3+]Cc1nnc(SCc2cc(Cl)ccn2)n1C1CC1 ZINC000092416671 180380866 /nfs/dbraw/zinc/38/08/66/180380866.db2.gz CFBCBTSTCSFCSI-UHFFFAOYSA-N 1 0 295.799 2.412 10 0 CEAERO Nc1cc[nH+]c(CN2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000092419390 180382019 /nfs/dbraw/zinc/38/20/19/180382019.db2.gz ANVHTHXWPJXYMT-SECBINFHSA-N 1 0 259.275 2.438 10 0 CEAERO CCCC[C@H](C)[NH2+][C@H]1CC(=O)N([C@@H](C)CC)C1=O ZINC000106785140 186135638 /nfs/dbraw/zinc/13/56/38/186135638.db2.gz FKFPNHRDNAEJKG-SRVKXCTJSA-N 1 0 254.374 2.081 10 0 CEAERO CCOCCO[C@@H]1CCc2ccc(OC)cc2[C@H]1[NH2+]C ZINC000092386390 180373408 /nfs/dbraw/zinc/37/34/08/180373408.db2.gz AZVXEAARFGCLPV-HZPDHXFCSA-N 1 0 279.380 2.324 10 0 CEAERO CC[C@@H]1COCCN1[C@@H]1CCc2ccc(OC)cc2[C@@H]1[NH3+] ZINC000092385608 180373951 /nfs/dbraw/zinc/37/39/51/180373951.db2.gz TXBWKBFOYNYEAZ-XYPHTWIQSA-N 1 0 290.407 2.121 10 0 CEAERO CC(C)(C)[NH2+]CC(=O)Nc1cc(F)cc(F)c1F ZINC000092461160 180390214 /nfs/dbraw/zinc/39/02/14/180390214.db2.gz ADRRTBAWHWJVGB-UHFFFAOYSA-N 1 0 260.259 2.431 10 0 CEAERO [NH3+][C@H]1CCc2nnc(-c3cccc4ccccc43)n2C1 ZINC000107820680 186193480 /nfs/dbraw/zinc/19/34/80/186193480.db2.gz AXOJNOIWRCORDK-LBPRGKRZSA-N 1 0 264.332 2.372 10 0 CEAERO CCCC[C@H](C[NH3+])Nc1ccccc1S(=O)(=O)CC ZINC000130569983 365968947 /nfs/dbraw/zinc/96/89/47/365968947.db2.gz REMFKSYOUQAJJU-GFCCVEGCSA-N 1 0 284.425 2.410 10 0 CEAERO Cc1ccnc2c1nc(N)n2CC[NH+](C(C)C)C(C)C ZINC000092549968 180403665 /nfs/dbraw/zinc/40/36/65/180403665.db2.gz KLNPXPXEQCBIEY-UHFFFAOYSA-N 1 0 275.400 2.441 10 0 CEAERO O=C1C[C@H]([NH2+][C@@H]2CCCc3sccc32)C(=O)N1C1CC1 ZINC000108291597 186210698 /nfs/dbraw/zinc/21/06/98/186210698.db2.gz AJKSNWKFWLBHRG-NEPJUHHUSA-N 1 0 290.388 2.005 10 0 CEAERO C[C@H](C(=O)N1CC[C@H]([NH+](C)C)C1)c1ccccc1F ZINC000108994232 186240200 /nfs/dbraw/zinc/24/02/00/186240200.db2.gz HCNLDFGRXQDNDL-RYUDHWBXSA-N 1 0 264.344 2.092 10 0 CEAERO CC[C@H]([NH2+]CC(C)(C)NS(C)(=O)=O)c1ccc(C)cc1 ZINC000109041118 186240706 /nfs/dbraw/zinc/24/07/06/186240706.db2.gz BLYNBHPJWQZECU-AWEZNQCLSA-N 1 0 298.452 2.364 10 0 CEAERO Cc1ccc(C)c([C@@H](C)[NH2+]CC(C)(C)NS(C)(=O)=O)c1 ZINC000109041974 186241429 /nfs/dbraw/zinc/24/14/29/186241429.db2.gz IRDAXMITRAQNMJ-CYBMUJFWSA-N 1 0 298.452 2.282 10 0 CEAERO C[NH+]1CCC(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000109081783 186242666 /nfs/dbraw/zinc/24/26/66/186242666.db2.gz JQWDKRBOLVVEGB-STQMWFEESA-N 1 0 294.345 2.279 10 0 CEAERO CC[C@H](C)N1C(=O)C[C@@H]([NH2+][C@@H](C)Cc2ccccc2)C1=O ZINC000108859488 186233960 /nfs/dbraw/zinc/23/39/60/186233960.db2.gz MBYRXGGHLWUDOB-KCQAQPDRSA-N 1 0 288.391 2.133 10 0 CEAERO CC1(CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CCCC1 ZINC000108932844 186236898 /nfs/dbraw/zinc/23/68/98/186236898.db2.gz FUFJKQPAYDFSCC-AWEZNQCLSA-N 1 0 279.428 2.446 10 0 CEAERO CC[NH2+][C@H](Cc1nc(-c2cccnc2)no1)C1CC1 ZINC000109495512 186256424 /nfs/dbraw/zinc/25/64/24/186256424.db2.gz ACIYQRRWZFVLFU-GFCCVEGCSA-N 1 0 258.325 2.062 10 0 CEAERO C[NH2+][C@@H](C)[C@H](c1nc(-c2ccccn2)no1)C(C)C ZINC000109497513 186256822 /nfs/dbraw/zinc/25/68/22/186256822.db2.gz BHRUQVYAZCDPBJ-CMPLNLGQSA-N 1 0 260.341 2.479 10 0 CEAERO CCOc1cccc(-c2noc(C[C@@H](C)[NH2+]C)n2)c1 ZINC000109502884 186257838 /nfs/dbraw/zinc/25/78/38/186257838.db2.gz CNQFLTFTCQDNOU-SNVBAGLBSA-N 1 0 261.325 2.286 10 0 CEAERO C[NH2+][C@H](C)[C@H](C)c1nc(Cc2cccs2)no1 ZINC000109510475 186258125 /nfs/dbraw/zinc/25/81/25/186258125.db2.gz INWKQXDUMTXRMN-DTWKUNHWSA-N 1 0 251.355 2.433 10 0 CEAERO C[NH2+][C@@H]1CCCC[C@H]1c1nc(Cc2cccnc2)no1 ZINC000109510756 186258189 /nfs/dbraw/zinc/25/81/89/186258189.db2.gz KVBGSPCEABDLBG-CHWSQXEVSA-N 1 0 272.352 2.301 10 0 CEAERO COc1ccccc1Cc1noc([C@@H]2CCC[C@H]2[NH3+])n1 ZINC000109513261 186258201 /nfs/dbraw/zinc/25/82/01/186258201.db2.gz LITVOOHZEIGLJG-VXGBXAGGSA-N 1 0 273.336 2.264 10 0 CEAERO [NH3+][C@H]1CCCCC[C@H]1c1nc(Cc2cccnc2)no1 ZINC000109510547 186258229 /nfs/dbraw/zinc/25/82/29/186258229.db2.gz BHRDXYALMHPMNZ-OLZOCXBDSA-N 1 0 272.352 2.430 10 0 CEAERO CC[NH2+][C@H](Cc1nc(CC(F)(F)F)no1)C1CC1 ZINC000109517454 186258876 /nfs/dbraw/zinc/25/88/76/186258876.db2.gz JGAPKMZZBKRSLF-MRVPVSSYSA-N 1 0 263.263 2.105 10 0 CEAERO CC[NH+](CC)CCCNc1cc(C(=O)N(C)C)ccc1N ZINC000109534849 186259662 /nfs/dbraw/zinc/25/96/62/186259662.db2.gz UEEQBTWLSSZZAH-UHFFFAOYSA-N 1 0 292.427 2.114 10 0 CEAERO [NH3+]Cc1ccc(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)c(F)c1 ZINC000109540417 186260779 /nfs/dbraw/zinc/26/07/79/186260779.db2.gz UTJQAJCIUAFGNW-ZKYQVNSYSA-N 1 0 276.355 2.337 10 0 CEAERO C[C@H]([NH3+])c1c(F)cccc1N1CCCO[C@H](C)C1 ZINC000109571825 186264275 /nfs/dbraw/zinc/26/42/75/186264275.db2.gz HPHKLHNUPHUTRV-MNOVXSKESA-N 1 0 252.333 2.461 10 0 CEAERO CCOC(=O)CN(C(C)C)[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000109685030 186268813 /nfs/dbraw/zinc/26/88/13/186268813.db2.gz YWJIXDDYRZYNPG-ZIAGYGMSSA-N 1 0 270.417 2.168 10 0 CEAERO CCC[C@@H](C[NH3+])N1CCN(C(=O)CCC2CCCC2)CC1 ZINC000109449068 186253361 /nfs/dbraw/zinc/25/33/61/186253361.db2.gz JHRQITPFUMMFSV-INIZCTEOSA-N 1 0 295.471 2.228 10 0 CEAERO Cc1cc(C)cc(CN2CC[NH+]([C@H](C)C(N)=S)CC2)c1 ZINC000109468512 186253852 /nfs/dbraw/zinc/25/38/52/186253852.db2.gz ZXCWOTDFTOBRCO-CQSZACIVSA-N 1 0 291.464 2.096 10 0 CEAERO CCc1ccc(CN2CC[NH+]([C@@H](C)C(N)=S)CC2)s1 ZINC000109468635 186254483 /nfs/dbraw/zinc/25/44/83/186254483.db2.gz MDRDWXCLWINYSQ-NSHDSACASA-N 1 0 297.493 2.103 10 0 CEAERO C[C@@H](c1noc(-c2ccccc2Cl)n1)N1CC[NH2+]CC1 ZINC000109473862 186255089 /nfs/dbraw/zinc/25/50/89/186255089.db2.gz HORCLGMSMCZDEQ-JTQLQIEISA-N 1 0 292.770 2.356 10 0 CEAERO CCOC(=O)[C@](C)(C[N@H+](CCC(C)C)C1CC1)NC ZINC000109956390 186280911 /nfs/dbraw/zinc/28/09/11/186280911.db2.gz JULAWLWEUIGNJK-HNNXBMFYSA-N 1 0 270.417 2.038 10 0 CEAERO CCN[C@](C)(C[N@H+](CCC(C)C)C1CC1)C(=O)OC ZINC000109956405 186281465 /nfs/dbraw/zinc/28/14/65/186281465.db2.gz UKZBRBAZDMIECS-OAHLLOKOSA-N 1 0 270.417 2.038 10 0 CEAERO CC(C)CC[N@H+](CCC[C@](C)([NH3+])C(=O)[O-])C1CC1 ZINC000109999430 186282516 /nfs/dbraw/zinc/28/25/16/186282516.db2.gz UOUJXJQPUQAFKI-AWEZNQCLSA-N 1 0 256.390 2.079 10 0 CEAERO Cc1nnc(SCCCC[NH2+]C(C)(C)C)n1C ZINC000110250221 186289121 /nfs/dbraw/zinc/28/91/21/186289121.db2.gz BOSPKNNCXGACIA-UHFFFAOYSA-N 1 0 256.419 2.384 10 0 CEAERO CC[NH+](CC)[C@H]1CCN(c2nc(C)c([C@@H](C)O)s2)C1 ZINC000110271588 186289969 /nfs/dbraw/zinc/28/99/69/186289969.db2.gz KGTUTDJNKLKWIA-NEPJUHHUSA-N 1 0 283.441 2.425 10 0 CEAERO Cc1nnc(Sc2cc(Cl)ccc2C(N)=[NH2+])n1C ZINC000110355782 186293784 /nfs/dbraw/zinc/29/37/84/186293784.db2.gz SSNDLTUZCHAJOB-UHFFFAOYSA-N 1 0 281.772 2.212 10 0 CEAERO CC[NH2+][C@@H](CC)[C@H](C)c1nc(-c2cnccn2)no1 ZINC000110470111 186297880 /nfs/dbraw/zinc/29/78/80/186297880.db2.gz PUEGDTOZEDJHLE-UWVGGRQHSA-N 1 0 261.329 2.018 10 0 CEAERO CC[NH2+][C@H](CC)[C@H](C)c1nc(-c2ncccn2)no1 ZINC000110470033 186298308 /nfs/dbraw/zinc/29/83/08/186298308.db2.gz WPPMZSLHZXVMRG-VHSXEESVSA-N 1 0 261.329 2.018 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(OC)c(CO[C@H]2CCOC2)c1 ZINC000110526868 186301245 /nfs/dbraw/zinc/30/12/45/186301245.db2.gz VKVMCOBYNLYQCK-FZMZJTMJSA-N 1 0 265.353 2.281 10 0 CEAERO CC[NH2+]C[C@@H](O[C@H]1CCOC1)c1ccc(F)cc1 ZINC000110529647 186301626 /nfs/dbraw/zinc/30/16/26/186301626.db2.gz ODKJQGSQWHDLOS-UONOGXRCSA-N 1 0 253.317 2.282 10 0 CEAERO C[C@H]1CCC[C@H]1NC(=O)CC1CCC(C[NH3+])CC1 ZINC000110618409 186304833 /nfs/dbraw/zinc/30/48/33/186304833.db2.gz VLSNUKKUNUVNDL-GFJIZPEISA-N 1 0 252.402 2.446 10 0 CEAERO COc1cc(N[C@H](C)C[NH+]2CCCC2)c(N)cc1F ZINC000110626873 186306923 /nfs/dbraw/zinc/30/69/23/186306923.db2.gz ORYNKZIECAPSNT-SNVBAGLBSA-N 1 0 267.348 2.313 10 0 CEAERO CCOc1cc(N(C)[C@H]2CCC[N@H+](C)C2)c(N)cc1F ZINC000110634545 186307327 /nfs/dbraw/zinc/30/73/27/186307327.db2.gz ORZBLZQENJPVQN-NSHDSACASA-N 1 0 281.375 2.337 10 0 CEAERO CCc1cccc(C)c1NC(=O)CN(C)[C@@H]1CCC[NH2+]C1 ZINC000110932094 186333133 /nfs/dbraw/zinc/33/31/33/186333133.db2.gz YGJVAFYKCHADLK-OAHLLOKOSA-N 1 0 289.423 2.180 10 0 CEAERO CC(C)N(C(=O)CN(C)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000110931508 186333149 /nfs/dbraw/zinc/33/31/49/186333149.db2.gz CJYYKLAKKBKUPG-INIZCTEOSA-N 1 0 289.423 2.112 10 0 CEAERO Cc1ccc(Cl)cc1NC(=O)CN(C)[C@H]1CCC[NH2+]C1 ZINC000110929852 186333290 /nfs/dbraw/zinc/33/32/90/186333290.db2.gz FMDHAXCGOHDEEA-ZDUSSCGKSA-N 1 0 295.814 2.271 10 0 CEAERO CN(Cc1ccc2ccccc2n1)[C@@H]1CCC[NH2+]C1 ZINC000110930153 186333420 /nfs/dbraw/zinc/33/34/20/186333420.db2.gz QWXCMHBCCGFHIA-OAHLLOKOSA-N 1 0 255.365 2.419 10 0 CEAERO c1ccc(-c2nn[nH]c2C[NH2+]CCN2CCCCC2)cc1 ZINC000110925200 186333644 /nfs/dbraw/zinc/33/36/44/186333644.db2.gz XPLDKNNOPQAJTP-UHFFFAOYSA-N 1 0 285.395 2.047 10 0 CEAERO CCCN(CC(=O)N(C)C1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000110946634 186335158 /nfs/dbraw/zinc/33/51/58/186335158.db2.gz IKCHHXXNBOTLCB-MRXNPFEDSA-N 1 0 295.471 2.242 10 0 CEAERO CCCN(CCc1scnc1C)[C@@H]1CCC[NH2+]C1 ZINC000110945956 186335183 /nfs/dbraw/zinc/33/51/83/186335183.db2.gz MSWXUIDRCQJTRQ-CYBMUJFWSA-N 1 0 267.442 2.458 10 0 CEAERO [NH3+]CCc1nc2ccccc2n1C[C@H]1CCCCO1 ZINC000110948701 186335346 /nfs/dbraw/zinc/33/53/46/186335346.db2.gz GCSATUGMMKUALP-GFCCVEGCSA-N 1 0 259.353 2.107 10 0 CEAERO CCN(CCC(=O)Nc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC000110943048 186335416 /nfs/dbraw/zinc/33/54/16/186335416.db2.gz HYDSSKMKQVSFLL-HNNXBMFYSA-N 1 0 293.386 2.228 10 0 CEAERO CCN(Cc1ccn(-c2ccccc2)n1)[C@H]1CCC[NH2+]C1 ZINC000110943815 186335483 /nfs/dbraw/zinc/33/54/83/186335483.db2.gz ZBZDIPKPZFMCEE-KRWDZBQOSA-N 1 0 284.407 2.446 10 0 CEAERO CCN(CC(=O)N(CC)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000110943534 186335716 /nfs/dbraw/zinc/33/57/16/186335716.db2.gz OPAUDYKRILTXPY-MRXNPFEDSA-N 1 0 289.423 2.113 10 0 CEAERO CCN(c1cc2ccccc2c(=O)[nH]1)[C@@H]1CCC[NH2+]C1 ZINC000110947194 186335768 /nfs/dbraw/zinc/33/57/68/186335768.db2.gz NUGCDCBBZOBGPX-CYBMUJFWSA-N 1 0 271.364 2.106 10 0 CEAERO CCN(Cc1cccnc1Cl)[C@H]1CCC[NH2+]C1 ZINC000110945221 186335996 /nfs/dbraw/zinc/33/59/96/186335996.db2.gz GTQVKHHSMFCRMU-LBPRGKRZSA-N 1 0 253.777 2.309 10 0 CEAERO Cc1ccc([C@@H](C)[NH3+])c(O[C@H](C)C(=O)N2CCCC2)c1 ZINC000110957657 186336900 /nfs/dbraw/zinc/33/69/00/186336900.db2.gz SHGCRFYABLMFGU-CHWSQXEVSA-N 1 0 276.380 2.404 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccc(C)cc1OCCS(C)(=O)=O ZINC000110961434 186337354 /nfs/dbraw/zinc/33/73/54/186337354.db2.gz BCLNOLMBMUNAGJ-ZDUSSCGKSA-N 1 0 299.436 2.479 10 0 CEAERO COc1ccc([C@H](C[NH3+])Oc2ccccc2CO)cc1 ZINC000110992845 186339835 /nfs/dbraw/zinc/33/98/35/186339835.db2.gz XAELAQLNYBMLMS-INIZCTEOSA-N 1 0 273.332 2.266 10 0 CEAERO CCNc1ccc(C(=O)N2CC[N@H+](CC)[C@H](C)C2)cc1 ZINC000110696554 186312549 /nfs/dbraw/zinc/31/25/49/186312549.db2.gz BQTJFNRDJGCLAU-CYBMUJFWSA-N 1 0 275.396 2.285 10 0 CEAERO CC[C@@H]1CN(C(=O)Nc2cccc([C@@H](C)O)c2)CC[N@@H+]1C ZINC000110694685 186312822 /nfs/dbraw/zinc/31/28/22/186312822.db2.gz IPXQBQOYQYJCOY-IUODEOHRSA-N 1 0 291.395 2.298 10 0 CEAERO CC[N@@H+]1CCN(C(=O)c2ccc(Cl)c(N)c2)C[C@@H]1C ZINC000110700240 186315085 /nfs/dbraw/zinc/31/50/85/186315085.db2.gz HYTKEBVZGNCRID-JTQLQIEISA-N 1 0 281.787 2.088 10 0 CEAERO CC[C@@H]1CN(Cc2cc(C(C)=O)ccc2OC)CC[N@@H+]1C ZINC000110728698 186317770 /nfs/dbraw/zinc/31/77/70/186317770.db2.gz RBOGEPOKYRYCIP-MRXNPFEDSA-N 1 0 290.407 2.424 10 0 CEAERO CC[C@@H]1CN(c2nc(C(C)(C)C)c(CO)s2)CC[N@@H+]1C ZINC000110760506 186323076 /nfs/dbraw/zinc/32/30/76/186323076.db2.gz STEXNBWZVYTMOV-LLVKDONJSA-N 1 0 297.468 2.463 10 0 CEAERO Cc1cc2c(ncnc2NCC[NH2+]C(C)C)s1 ZINC000110779320 186324100 /nfs/dbraw/zinc/32/41/00/186324100.db2.gz LHSBJSRBSWIGJH-UHFFFAOYSA-N 1 0 250.371 2.410 10 0 CEAERO CN(C)c1ccc2[nH+]c(-c3ccncc3)c(N)n2c1 ZINC000110782772 186324730 /nfs/dbraw/zinc/32/47/30/186324730.db2.gz FYOOKRHMFPKHQJ-UHFFFAOYSA-N 1 0 253.309 2.045 10 0 CEAERO CCO[C@H]1C[C@@H]([N@H+](C)C[C@H](O)CC)C12CCCC2 ZINC000130742263 365986412 /nfs/dbraw/zinc/98/64/12/365986412.db2.gz XXHIIENYTGIVIY-MCIONIFRSA-N 1 0 255.402 2.427 10 0 CEAERO CCCOc1cc(NC[C@H](C)[NH+](C)C)ccc1N ZINC000111054693 186349318 /nfs/dbraw/zinc/34/93/18/186349318.db2.gz KNMDGMYKJQJLFO-NSHDSACASA-N 1 0 251.374 2.420 10 0 CEAERO O=C1CC[C@H]([NH2+][C@H](c2cccs2)C2CC2)CN1 ZINC000111016187 186344124 /nfs/dbraw/zinc/34/41/24/186344124.db2.gz NBEGWOQRMUNMHB-GWCFXTLKSA-N 1 0 250.367 2.067 10 0 CEAERO COc1ccc([C@H]([NH2+][C@H]2CCC(=O)NC2)C2CC2)cc1 ZINC000111017466 186344499 /nfs/dbraw/zinc/34/44/99/186344499.db2.gz FNZIJUYVJMUOKV-XJKSGUPXSA-N 1 0 274.364 2.015 10 0 CEAERO Cc1cc2c(n1[C@H]1CCC(=O)NC1)CC(C)(C)C[C@@H]2[NH3+] ZINC000111024628 186346143 /nfs/dbraw/zinc/34/61/43/186346143.db2.gz HGPODZODSIXQHN-AAEUAGOBSA-N 1 0 275.396 2.220 10 0 CEAERO CC[C@H]1CN([C@@H](C[NH3+])c2cccc(F)c2F)CCO1 ZINC000111039270 186346614 /nfs/dbraw/zinc/34/66/14/186346614.db2.gz WJYZMMDKSPEVLH-GWCFXTLKSA-N 1 0 270.323 2.075 10 0 CEAERO CN(c1ccc(F)cc1C(N)=[NH2+])[C@@H]1CCSC1 ZINC000111033643 186346932 /nfs/dbraw/zinc/34/69/32/186346932.db2.gz MJEVVIUQKCCPAI-SECBINFHSA-N 1 0 253.346 2.051 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2ccc(F)cc2C(N)=S)C1 ZINC000111031056 186347296 /nfs/dbraw/zinc/34/72/96/186347296.db2.gz UHIJDJURCNLNON-LLVKDONJSA-N 1 0 281.400 2.356 10 0 CEAERO CCCNc1ccc(C)cc1C(=O)N(C)CC[NH+](C)C ZINC000111151667 186360529 /nfs/dbraw/zinc/36/05/29/186360529.db2.gz IJWKJKAKIHSZNV-UHFFFAOYSA-N 1 0 277.412 2.451 10 0 CEAERO CCOc1ccc([C@@H](CN)[N@H+](C)CC2CCOCC2)cc1 ZINC000111160038 186361729 /nfs/dbraw/zinc/36/17/29/186361729.db2.gz MJCVHACONGKEIH-QGZVFWFLSA-N 1 0 292.423 2.444 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2C[C@@H]1N(C)C[C@@H]1CCCOC1 ZINC000111160793 186362765 /nfs/dbraw/zinc/36/27/65/186362765.db2.gz BRUQOLGZPKGCMP-RRQGHBQHSA-N 1 0 274.408 2.230 10 0 CEAERO CC[NH2+]Cc1cccc(NS(=O)(=O)C(C)(C)C)c1 ZINC000111072834 186351319 /nfs/dbraw/zinc/35/13/19/186351319.db2.gz FYFDTQTVAAXBEK-UHFFFAOYSA-N 1 0 270.398 2.336 10 0 CEAERO CCC(C)(C)NC(=O)C[NH2+]C[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000111089606 186351455 /nfs/dbraw/zinc/35/14/55/186351455.db2.gz NZBMPLWIXGOALX-YNEHKIRRSA-N 1 0 252.402 2.317 10 0 CEAERO CCCOCCOCCCC(=O)Nc1ccccc1C[NH3+] ZINC000111106476 186352687 /nfs/dbraw/zinc/35/26/87/186352687.db2.gz NTHVUYOPXGHCDA-UHFFFAOYSA-N 1 0 294.395 2.307 10 0 CEAERO CCOCCN(CC)[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000111116350 186353277 /nfs/dbraw/zinc/35/32/77/186353277.db2.gz BDHJIECEVPERET-OAHLLOKOSA-N 1 0 266.385 2.053 10 0 CEAERO CCOCCN(CC)c1nc2c(cc1C[NH3+])CCCC2 ZINC000111116264 186353293 /nfs/dbraw/zinc/35/32/93/186353293.db2.gz XGBZXSMKAZALGI-UHFFFAOYSA-N 1 0 277.412 2.282 10 0 CEAERO CCOCCN(CC)[C@H](c1cccnc1)[C@@H]([NH3+])CC ZINC000111116562 186353362 /nfs/dbraw/zinc/35/33/62/186353362.db2.gz SURNWYGPLPZAFB-LSDHHAIUSA-N 1 0 265.401 2.218 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2OC[C@H]1N(CC)CCOCC ZINC000111118800 186354382 /nfs/dbraw/zinc/35/43/82/186354382.db2.gz IJRQABORGDIOBJ-WBVHZDCISA-N 1 0 292.423 2.457 10 0 CEAERO CCn1c(C)cc(C(=O)CN(C)CCC[NH+](C)C)c1C ZINC000111139901 186357952 /nfs/dbraw/zinc/35/79/52/186357952.db2.gz WBAVOAQPXUXDDC-UHFFFAOYSA-N 1 0 279.428 2.191 10 0 CEAERO CN(CCC[NH+](C)C)CCNc1ccccc1F ZINC000111150985 186360015 /nfs/dbraw/zinc/36/00/15/186360015.db2.gz DGHHJECPLRMPAT-UHFFFAOYSA-N 1 0 253.365 2.121 10 0 CEAERO CCNc1ncc(C(=O)N(C)CCC[NH+](C)C)cc1Cl ZINC000111151948 186360177 /nfs/dbraw/zinc/36/01/77/186360177.db2.gz RSCMBZVWDWMCFG-UHFFFAOYSA-N 1 0 298.818 2.191 10 0 CEAERO CC[C@H]([NH3+])c1noc([C@H]2CCOc3ccccc32)n1 ZINC000111189322 186367845 /nfs/dbraw/zinc/36/78/45/186367845.db2.gz GSKUCNOIEBSIQN-QWRGUYRKSA-N 1 0 259.309 2.394 10 0 CEAERO C[N@H+](C[C@H]1CCCOC1)[C@@H]1CCCCCC[C@@H]1O ZINC000111168512 186363741 /nfs/dbraw/zinc/36/37/41/186363741.db2.gz OVBBBGKOOVIQIE-KFWWJZLASA-N 1 0 255.402 2.429 10 0 CEAERO C[N@H+](CC1CCOCC1)C[C@H]1CCCCCC1=O ZINC000111171331 186364819 /nfs/dbraw/zinc/36/48/19/186364819.db2.gz WRFOSARSTWYWJZ-CQSZACIVSA-N 1 0 253.386 2.494 10 0 CEAERO CN(CC1CCOCC1)c1ccc(Cl)c(C[NH3+])n1 ZINC000111174405 186365231 /nfs/dbraw/zinc/36/52/31/186365231.db2.gz AQHGYDMHNRMPMB-UHFFFAOYSA-N 1 0 269.776 2.057 10 0 CEAERO CCCC1(C(=O)N(C)C[C@H]2CCCOC2)CC[NH2+]CC1 ZINC000111173586 186365566 /nfs/dbraw/zinc/36/55/66/186365566.db2.gz VUJKTGAJPSLVOR-CQSZACIVSA-N 1 0 282.428 2.041 10 0 CEAERO CCC[NH2+]C[C@@H](C(C)C)N(C)C[C@@H]1CCCOC1 ZINC000111174812 186365759 /nfs/dbraw/zinc/36/57/59/186365759.db2.gz LAHBNOHEEFDMMO-GJZGRUSLSA-N 1 0 256.434 2.369 10 0 CEAERO C[C@@H]([NH3+])c1cccc(NC(=O)NCC2CCOCC2)c1 ZINC000111182544 186366379 /nfs/dbraw/zinc/36/63/79/186366379.db2.gz CEYGDWQQQHJDPF-LLVKDONJSA-N 1 0 277.368 2.254 10 0 CEAERO O=C(c1ccc2c(c1)COC2)N1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000111306352 186394864 /nfs/dbraw/zinc/39/48/64/186394864.db2.gz FZGSKHRBDFDXGJ-CVEARBPZSA-N 1 0 286.375 2.073 10 0 CEAERO CN(C[C@@]1(C[NH3+])CCCOC1)c1ccccc1F ZINC000111327324 186398758 /nfs/dbraw/zinc/39/87/58/186398758.db2.gz POXPXASKCJBGRM-AWEZNQCLSA-N 1 0 252.333 2.017 10 0 CEAERO C[NH2+]C[C@]1(CN(C)Cc2ccccc2F)CCCOC1 ZINC000111327663 186399361 /nfs/dbraw/zinc/39/93/61/186399361.db2.gz DUOJEVNMCZRGCH-INIZCTEOSA-N 1 0 280.387 2.274 10 0 CEAERO CC[C@H](C)N(CC)C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111243579 186376025 /nfs/dbraw/zinc/37/60/25/186376025.db2.gz BLDWJOQBYUBEJP-ONGXEEELSA-N 1 0 266.307 2.175 10 0 CEAERO O=C(N[C@H]1CCc2ccccc21)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111244085 186376068 /nfs/dbraw/zinc/37/60/68/186376068.db2.gz DMUWFVJSIARGFM-JSGCOSHPSA-N 1 0 298.308 2.332 10 0 CEAERO CCCC[C@@H](C)NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111246861 186376497 /nfs/dbraw/zinc/37/64/97/186376497.db2.gz QCEBDDVKWWBGIX-MWLCHTKSSA-N 1 0 266.307 2.223 10 0 CEAERO CC(C)N(Cc1ccccc1)C(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000111263229 186380157 /nfs/dbraw/zinc/38/01/57/186380157.db2.gz RRYPLWMTWCTJPA-ZFWWWQNUSA-N 1 0 260.381 2.279 10 0 CEAERO COc1cc(OC)c(NC(=O)[C@H]2C[NH2+]C[C@@H]2C)cc1Cl ZINC000111263100 186380736 /nfs/dbraw/zinc/38/07/36/186380736.db2.gz UHLURJZRFSXQOH-IUCAKERBSA-N 1 0 298.770 2.151 10 0 CEAERO CC(C)C(=O)Nc1ccc(NC(=O)[C@H]2C[NH2+]C[C@H]2C)cc1 ZINC000111265122 186381084 /nfs/dbraw/zinc/38/10/84/186381084.db2.gz QBIGGMLCQDZBQI-RISCZKNCSA-N 1 0 289.379 2.075 10 0 CEAERO CC(C)OC(=O)c1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2C)cc1 ZINC000111265147 186381791 /nfs/dbraw/zinc/38/17/91/186381791.db2.gz SIJZNSJKNRRJHY-FZMZJTMJSA-N 1 0 290.363 2.046 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1CCSc2ccccc21 ZINC000111264511 186382050 /nfs/dbraw/zinc/38/20/50/186382050.db2.gz OUNMSIJRIQQNDM-KGYLQXTDSA-N 1 0 276.405 2.195 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)N(C)Cc1ccccc1Cl ZINC000111267947 186382666 /nfs/dbraw/zinc/38/26/66/186382666.db2.gz DSJQATNXJOOHAX-CMPLNLGQSA-N 1 0 266.772 2.154 10 0 CEAERO CSc1ccc(CN(C)C(=O)[C@H]2C[NH2+]C[C@@H]2C)cc1 ZINC000111267972 186382719 /nfs/dbraw/zinc/38/27/19/186382719.db2.gz MGOQOINCLWZIBN-FZMZJTMJSA-N 1 0 278.421 2.222 10 0 CEAERO CCC(=O)Nc1cccc(NC(=O)[C@@H]2C[NH2+]C[C@@H]2C)c1C ZINC000111266949 186382745 /nfs/dbraw/zinc/38/27/45/186382745.db2.gz MVNQMQDDSNALFK-CMPLNLGQSA-N 1 0 289.379 2.138 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)NCc1ccccc1C(F)(F)F ZINC000111272586 186385554 /nfs/dbraw/zinc/38/55/54/186385554.db2.gz NMQAFAMCBAFJPY-ONGXEEELSA-N 1 0 286.297 2.177 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CCC(C(C)(C)C)CC1 ZINC000111272275 186385959 /nfs/dbraw/zinc/38/59/59/186385959.db2.gz WJDGCKYKXXOMGB-YPMHNXCESA-N 1 0 252.402 2.127 10 0 CEAERO Cc1nc(Cl)c(C)c(N[C@@H]2C[NH+]3CCC2CC3)n1 ZINC000111295897 186391989 /nfs/dbraw/zinc/39/19/89/186391989.db2.gz NDCPNWHABPQOHO-LLVKDONJSA-N 1 0 266.776 2.253 10 0 CEAERO CCc1c(Cl)ncnc1OCC[NH+]1CCCC1 ZINC000111294091 186392017 /nfs/dbraw/zinc/39/20/17/186392017.db2.gz JLUXLKBWWBHMKP-UHFFFAOYSA-N 1 0 255.749 2.167 10 0 CEAERO Cc1nn(C)c(N(C)Cc2ccc(C)cc2)c1CC[NH3+] ZINC000111478768 186422137 /nfs/dbraw/zinc/42/21/37/186422137.db2.gz KAACNVJARSNRKF-UHFFFAOYSA-N 1 0 272.396 2.175 10 0 CEAERO CC[C@H](C)N(CCOC)c1ccccc1CC[NH3+] ZINC000111485346 186422457 /nfs/dbraw/zinc/42/24/57/186422457.db2.gz NWGLTVAFHAIFKI-ZDUSSCGKSA-N 1 0 250.386 2.439 10 0 CEAERO Cc1cc(C[C@H](C)[NH3+])ccc1N(C)Cc1cnn(C)c1 ZINC000111508545 186424644 /nfs/dbraw/zinc/42/46/44/186424644.db2.gz ZIJBMFBUFKBHNY-ZDUSSCGKSA-N 1 0 272.396 2.255 10 0 CEAERO Cc1cc(CN2CCCC[C@H]2C[NH2+]C(C)C)on1 ZINC000111702671 186447534 /nfs/dbraw/zinc/44/75/34/186447534.db2.gz GBLUSGPZUJYFKL-ZDUSSCGKSA-N 1 0 251.374 2.336 10 0 CEAERO CC(C)(C)[NH2+]C[C@@H]1CCCCN1CC(=O)N1CCCCC1 ZINC000111704284 186448193 /nfs/dbraw/zinc/44/81/93/186448193.db2.gz XNSCWDNIUDKBCB-HNNXBMFYSA-N 1 0 295.471 2.242 10 0 CEAERO CC[NH2+][C@H](C)[C@H]1CCCCN1CC(=O)NC1CCCCC1 ZINC000111711682 186448750 /nfs/dbraw/zinc/44/87/50/186448750.db2.gz JWQBTNKRWFEGNO-GDBMZVCRSA-N 1 0 295.471 2.288 10 0 CEAERO C[NH2+][C@H](C)[C@@H]1CCCCN1CC(=O)NC1CCCCCC1 ZINC000111710455 186449144 /nfs/dbraw/zinc/44/91/44/186449144.db2.gz IELJEYNDXCMPAB-ZBFHGGJFSA-N 1 0 295.471 2.288 10 0 CEAERO CCCCN(CC[NH3+])C(=O)c1ccc2c(c1)CCC2 ZINC000111362586 186405882 /nfs/dbraw/zinc/40/58/82/186405882.db2.gz VIGNUXUIDUTECC-UHFFFAOYSA-N 1 0 260.381 2.376 10 0 CEAERO C[C@H](Cc1ccccc1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000112046185 186468972 /nfs/dbraw/zinc/46/89/72/186468972.db2.gz URKMVWUPXADYHW-HIFRSBDPSA-N 1 0 260.381 2.028 10 0 CEAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)cn2)C1 ZINC000069938654 363014934 /nfs/dbraw/zinc/01/49/34/363014934.db2.gz PNARKODXGCRHSG-ZYHUDNBSSA-N 1 0 285.185 2.237 10 0 CEAERO O[C@H](C[NH2+]CC[C@H]1CC=CCC1)COCc1ccco1 ZINC000629597399 351427517 /nfs/dbraw/zinc/42/75/17/351427517.db2.gz JPNSVFVBQHZVDZ-LSDHHAIUSA-N 1 0 279.380 2.493 10 0 CEAERO Cc1cc(N2CCC[NH2+]CC2)nc(-c2cccc(F)c2)n1 ZINC000070451923 363083806 /nfs/dbraw/zinc/08/38/06/363083806.db2.gz GIGZUBGHXBGNNQ-UHFFFAOYSA-N 1 0 286.354 2.391 10 0 CEAERO Fc1cccc(-c2ccc(N3CCC[NH2+]CC3)nn2)c1 ZINC000070458499 363085935 /nfs/dbraw/zinc/08/59/35/363085935.db2.gz HNFQIRHRVCNFMP-UHFFFAOYSA-N 1 0 272.327 2.082 10 0 CEAERO [NH3+]C1CCN(CC(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000070459746 363087133 /nfs/dbraw/zinc/08/71/33/363087133.db2.gz CCUWIPDHEBTZHH-UHFFFAOYSA-N 1 0 286.297 2.311 10 0 CEAERO Cc1ccccc1-c1cc2c(N3CC[NH2+]CC3)nccn2n1 ZINC000070459159 363087272 /nfs/dbraw/zinc/08/72/72/363087272.db2.gz OGXOYBIXJNESFA-UHFFFAOYSA-N 1 0 293.374 2.114 10 0 CEAERO [NH3+]C[C@@H]1CCCN1C(=O)c1cccc(Cl)c1F ZINC000131549840 366064478 /nfs/dbraw/zinc/06/44/78/366064478.db2.gz MJSQNFADSSLKST-QMMMGPOBSA-N 1 0 256.708 2.042 10 0 CEAERO CCc1nc(-c2ccccn2)cc(N2CCC([NH3+])CC2)n1 ZINC000070451900 363084213 /nfs/dbraw/zinc/08/42/13/363084213.db2.gz JRPDOBVCKMEUBO-UHFFFAOYSA-N 1 0 283.379 2.029 10 0 CEAERO CCCC[C@H](CC)C(=O)N1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630361521 351711782 /nfs/dbraw/zinc/71/17/82/351711782.db2.gz MMWOJBMJEYEKRJ-GUTXKFCHSA-N 1 0 270.417 2.168 10 0 CEAERO CO[C@@H]1CN(Cc2ccc(F)c(Cl)c2)[C@](C)(C[NH3+])C1 ZINC000630369782 351715304 /nfs/dbraw/zinc/71/53/04/351715304.db2.gz YCDFUASRSABSIB-FZMZJTMJSA-N 1 0 286.778 2.417 10 0 CEAERO Cc1nc(N[C@@H]2CC[NH2+][C@H]2C)ccc1Br ZINC000630546682 351779999 /nfs/dbraw/zinc/77/99/99/351779999.db2.gz SCKFBRNNSYJSSK-WCBMZHEXSA-N 1 0 270.174 2.315 10 0 CEAERO [NH3+][C@H]1CCCCCN(c2nnc(C(F)F)s2)C1 ZINC000630550584 351781523 /nfs/dbraw/zinc/78/15/23/351781523.db2.gz VAXHNUUTSWIUDK-ZETCQYMHSA-N 1 0 262.329 2.183 10 0 CEAERO CCCCc1ccc(-n2nncc2CN2CC[NH2+]CC2)cc1 ZINC000070460957 363088378 /nfs/dbraw/zinc/08/83/78/363088378.db2.gz LXDSOWFFCYYAML-UHFFFAOYSA-N 1 0 299.422 2.015 10 0 CEAERO C[C@H]1CN(c2ncccc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC000630572750 351788865 /nfs/dbraw/zinc/78/88/65/351788865.db2.gz SARHAQSHRMQUJP-IUCAKERBSA-N 1 0 259.275 2.131 10 0 CEAERO Cc1ccnc(N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000630530124 351773986 /nfs/dbraw/zinc/77/39/86/351773986.db2.gz YKGXROBLCQJEMN-QWRGUYRKSA-N 1 0 273.302 2.354 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H](C)C1CCOCC1 ZINC000123071976 187069233 /nfs/dbraw/zinc/06/92/33/187069233.db2.gz DGBDHYHDQBSONU-DZGCQCFKSA-N 1 0 284.444 2.142 10 0 CEAERO Cc1cnc([C@H](C)[NH2+]C[C@@H](O)COC(C)(C)C)s1 ZINC000124320951 187131718 /nfs/dbraw/zinc/13/17/18/187131718.db2.gz FDWYYMGMQHWOGR-WDEREUQCSA-N 1 0 272.414 2.278 10 0 CEAERO C[C@H](C[NH2+][C@@H]1CCc2cc(F)ccc21)N1CCOCC1 ZINC000123220439 187078565 /nfs/dbraw/zinc/07/85/65/187078565.db2.gz JDVQYZBCLWNISN-MLGOLLRUSA-N 1 0 278.371 2.123 10 0 CEAERO C[C@@H](C[NH2+][C@H]1CCc2cc(F)ccc21)N1CCOCC1 ZINC000123220620 187078812 /nfs/dbraw/zinc/07/88/12/187078812.db2.gz JDVQYZBCLWNISN-LRDDRELGSA-N 1 0 278.371 2.123 10 0 CEAERO CC[C@@](C)(O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000123292149 187082956 /nfs/dbraw/zinc/08/29/56/187082956.db2.gz IWVQGIAEKHQQGQ-QGZVFWFLSA-N 1 0 290.407 2.498 10 0 CEAERO CC[C@H](O)C[NH+]1CCN(Cc2cccc(C)c2C)CC1 ZINC000123531078 187096676 /nfs/dbraw/zinc/09/66/76/187096676.db2.gz ZBMLKHCCLZSMJS-KRWDZBQOSA-N 1 0 276.424 2.192 10 0 CEAERO CCCCSCCC(=O)N1CCCC[C@H]1C[NH3+] ZINC000131204483 187548556 /nfs/dbraw/zinc/54/85/56/187548556.db2.gz YFEUJWGGAQMPHK-LBPRGKRZSA-N 1 0 258.431 2.250 10 0 CEAERO [NH3+]Cc1ccnc(-c2ccc(Br)s2)n1 ZINC000070598036 363101059 /nfs/dbraw/zinc/10/10/59/363101059.db2.gz QRRVTRJRNUDNTA-UHFFFAOYSA-N 1 0 270.155 2.426 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@H]2CC[NH2+][C@@H]2C)c(C)c1 ZINC000092953340 539830970 /nfs/dbraw/zinc/83/09/70/539830970.db2.gz MINWXHANOQHEBZ-IPYPFGDCSA-N 1 0 260.381 2.479 10 0 CEAERO CC(C)(C)OC(=O)N1[C@@H](C[NH3+])CC[C@H]1C(F)(F)F ZINC000071372642 363109059 /nfs/dbraw/zinc/10/90/59/363109059.db2.gz GQOHUHQEYJOQJV-SFYZADRCSA-N 1 0 268.279 2.276 10 0 CEAERO Cc1ccc([C@@H](C)NC(=O)CC(C)(C)[NH3+])cc1F ZINC000094956461 539888507 /nfs/dbraw/zinc/88/85/07/539888507.db2.gz OERRVNMWPUYXQO-SNVBAGLBSA-N 1 0 252.333 2.439 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@H]2C[C@H](OCC(C)C)C2(C)C)C1 ZINC000252737299 539896833 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OYYTZOCXGSCVMG-VIFPVBQESA-N 1 0 268.307 2.284 10 0 CEAERO [NH3+]CC[C@@H](O)c1ccc(Br)c(Cl)c1 ZINC000088126375 540154430 /nfs/dbraw/zinc/15/44/30/540154430.db2.gz QOHJANXHKRSHGL-SECBINFHSA-N 1 0 264.550 2.485 10 0 CEAERO C[C@H]([NH2+]CCCN(C)c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000570077246 299236574 /nfs/dbraw/zinc/23/65/74/299236574.db2.gz RLBPNHWTMNVZOC-HOTGVXAUSA-N 1 0 275.440 2.491 10 0 CEAERO C[C@@]1(c2nc(Cc3cccnc3)no2)CCCCN1 ZINC000133861521 366263320 /nfs/dbraw/zinc/26/33/20/366263320.db2.gz DKZHXFXEJZNDQV-AWEZNQCLSA-N 1 0 258.325 2.044 10 0 CEAERO [NH3+]CC1(Nc2nc(Br)cs2)CCC1 ZINC000575537440 366294056 /nfs/dbraw/zinc/29/40/56/366294056.db2.gz FFDTXBXKCJMXNK-UHFFFAOYSA-N 1 0 262.176 2.199 10 0 CEAERO CC[C@@](C)([NH3+])c1ccc(I)cn1 ZINC000575557858 366296589 /nfs/dbraw/zinc/29/65/89/366296589.db2.gz ABFJRFRVXJOVNP-SECBINFHSA-N 1 0 276.121 2.270 10 0 CEAERO C[NH+](C)[C@H]1CCCN(C(=O)C[C@@H]2CCCCC(=O)N2)CC1 ZINC000328813541 202068163 /nfs/dbraw/zinc/06/81/63/202068163.db2.gz 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Cc1csc([C@H](C)NC(=O)[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000080272083 363654320 /nfs/dbraw/zinc/65/43/20/363654320.db2.gz ZCSAWYFGBSRSFI-DCAQKATOSA-N 1 0 267.398 2.146 10 0 CEAERO CCn1nccc1C[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000341452002 215973661 /nfs/dbraw/zinc/97/36/61/215973661.db2.gz GJCGUUOTCORMOV-CLLJXQQHSA-N 1 0 251.374 2.196 10 0 CEAERO O=C(N[C@@H]1CCCC12CCCCC2)[C@H]1CC[NH2+]C1 ZINC000312997512 540463599 /nfs/dbraw/zinc/46/35/99/540463599.db2.gz QOVDGNLPXOFYKE-QWHCGFSZSA-N 1 0 250.386 2.215 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2ccsc2)C1 ZINC000176457614 188995739 /nfs/dbraw/zinc/99/57/39/188995739.db2.gz XRIOVGDGUCHYHG-YPMHNXCESA-N 1 0 281.425 2.276 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cc1cccc(OC)c1 ZINC000176963775 189017749 /nfs/dbraw/zinc/01/77/49/189017749.db2.gz XTZKFTDBGNASRK-HNNXBMFYSA-N 1 0 290.407 2.180 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cnc(C)s1 ZINC000176980991 189018415 /nfs/dbraw/zinc/01/84/15/189018415.db2.gz PQUFPAJPWDRXLW-NSHDSACASA-N 1 0 267.398 2.008 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccnc(SC)c1 ZINC000176980556 189018775 /nfs/dbraw/zinc/01/87/75/189018775.db2.gz POGAVTMXFXTQMP-CYBMUJFWSA-N 1 0 293.436 2.360 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Cc1ccc(OC)cc1 ZINC000176999063 189020043 /nfs/dbraw/zinc/02/00/43/189020043.db2.gz BEINEPBDFYKWAG-OAHLLOKOSA-N 1 0 290.407 2.180 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(Cl)o1 ZINC000176997088 189020149 /nfs/dbraw/zinc/02/01/49/189020149.db2.gz COTKVFNXBUZKSK-SNVBAGLBSA-N 1 0 270.760 2.489 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccncc1 ZINC000177024982 189021777 /nfs/dbraw/zinc/02/17/77/189021777.db2.gz BRPGNUYYMWYFPS-ZDUSSCGKSA-N 1 0 262.357 2.030 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000038049607 283555209 /nfs/dbraw/zinc/55/52/09/283555209.db2.gz PLHCDPRJLDHMOR-SFYZADRCSA-N 1 0 276.167 2.321 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000085360093 283584357 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/nfs/dbraw/zinc/09/94/96/367099496.db2.gz RAAKBJVFSXVGPF-HOCLYGCPSA-N 1 0 291.439 2.358 10 0 CEAERO C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)o1 ZINC000245542423 370836297 /nfs/dbraw/zinc/83/62/97/370836297.db2.gz PPALXYRYWMWEKO-IIAWOOMASA-N 1 0 290.407 2.310 10 0 CEAERO C[C@@H]1CN(C(=O)c2ccc3c(c2)CCCC3)C[C@H]1C[NH3+] ZINC000638883868 370818501 /nfs/dbraw/zinc/81/85/01/370818501.db2.gz BUKDBVFLECOZDK-MLGOLLRUSA-N 1 0 272.392 2.232 10 0 CEAERO C[C@H]1CN(C(=O)c2cccn2Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000638885316 370819185 /nfs/dbraw/zinc/81/91/85/370819185.db2.gz BSVPLQOTAKFFKH-HOCLYGCPSA-N 1 0 297.402 2.203 10 0 CEAERO Cc1ccc([C@@H](C)CNC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000162257818 367147946 /nfs/dbraw/zinc/14/79/46/367147946.db2.gz IADCUKUPNYZPNS-GOEBONIOSA-N 1 0 289.423 2.444 10 0 CEAERO CCC[C@@H](C(=O)NC[C@@H](C)Oc1cccc(F)c1)[NH+](C)C ZINC000162319207 367150904 /nfs/dbraw/zinc/15/09/04/367150904.db2.gz FJUGHPWTOFZISE-DOMZBBRYSA-N 1 0 296.386 2.440 10 0 CEAERO C[C@H]1CN(C(=O)CCCc2ccccc2)C[C@@H]1C[NH3+] ZINC000638887624 370821816 /nfs/dbraw/zinc/82/18/16/370821816.db2.gz LOVYZQVUXHSSJK-ZFWWWQNUSA-N 1 0 260.381 2.063 10 0 CEAERO C[C@@H]1CN(C(=O)C23CC4CC(CC(C4)C2)C3)C[C@H]1C[NH3+] ZINC000638888318 370822106 /nfs/dbraw/zinc/82/21/06/370822106.db2.gz XKSLWVJMTOQAHO-QDCKZUPOSA-N 1 0 276.424 2.256 10 0 CEAERO Cc1cc(C)c(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)c(C)c1 ZINC000638893689 370826019 /nfs/dbraw/zinc/82/60/19/370826019.db2.gz NPEIXTSNDZVJCI-KBPBESRZSA-N 1 0 260.381 2.279 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C)C(=O)N1CCC(C)CC1 ZINC000245481390 370827127 /nfs/dbraw/zinc/82/71/27/370827127.db2.gz YGIHLDPOYZUXKJ-CVEARBPZSA-N 1 0 295.471 2.050 10 0 CEAERO C[C@@H]1CN(C(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)C[C@@H]1C[NH3+] ZINC000638901961 370831665 /nfs/dbraw/zinc/83/16/65/370831665.db2.gz KQWASMNCDACVOP-KXNHARMFSA-N 1 0 292.345 2.408 10 0 CEAERO CC(=O)c1ccc(N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)nc1 ZINC000245595518 370847266 /nfs/dbraw/zinc/84/72/66/370847266.db2.gz IGTJRBJVFOZURB-BXUZGUMPSA-N 1 0 261.369 2.425 10 0 CEAERO Cc1nc2ccccc2nc1N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000163989173 367273594 /nfs/dbraw/zinc/27/35/94/367273594.db2.gz QRVPKZAZEQYFKZ-DGCLKSJQSA-N 1 0 270.380 2.359 10 0 CEAERO C[C@H]1CN(c2ccncc2Br)[C@@H](C)C[NH2+]1 ZINC000163721218 367261436 /nfs/dbraw/zinc/26/14/36/367261436.db2.gz KUONELCCUBNFJO-IUCAKERBSA-N 1 0 270.174 2.031 10 0 CEAERO CCn1cc(C[NH2+]CC2C[C@@H](C)O[C@H](C)C2)cn1 ZINC000341471828 367347618 /nfs/dbraw/zinc/34/76/18/367347618.db2.gz UKULDSMRWOUXSV-VXGBXAGGSA-N 1 0 251.374 2.196 10 0 CEAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCC1(C2CC2)CC1 ZINC000164465759 367286972 /nfs/dbraw/zinc/28/69/72/367286972.db2.gz ADJGXAHHODVXLA-INIZCTEOSA-N 1 0 286.419 2.466 10 0 CEAERO C[C@H]1C[C@H]1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000170808842 367420508 /nfs/dbraw/zinc/42/05/08/367420508.db2.gz WPLVQFZJHWOGIO-XJKSGUPXSA-N 1 0 287.407 2.490 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)C(C)(C)Oc2ccc(F)cc2)C1 ZINC000170856065 367432986 /nfs/dbraw/zinc/43/29/86/367432986.db2.gz RMWFPRMKVSVUKT-ZDUSSCGKSA-N 1 0 294.370 2.146 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)COc2ccc3ccccc3c2)C1 ZINC000170863032 367434100 /nfs/dbraw/zinc/43/41/00/367434100.db2.gz FFULVLLPRNCEPZ-INIZCTEOSA-N 1 0 298.386 2.381 10 0 CEAERO CCn1cc(CC(=O)N2CC[C@H]([NH+](C)C)C2)c2ccccc21 ZINC000170863936 367434645 /nfs/dbraw/zinc/43/46/45/367434645.db2.gz UOHSKYXBDVDEAB-HNNXBMFYSA-N 1 0 299.418 2.366 10 0 CEAERO C/C(=C\C(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccc(F)cc1 ZINC000170864448 367436379 /nfs/dbraw/zinc/43/63/79/367436379.db2.gz ZTNAHFKPVRAYED-HBIYDYFMSA-N 1 0 276.355 2.392 10 0 CEAERO C[C@@H]1CCCN(c2cc(NCCn3cccn3)ncn2)C1 ZINC000170999722 367459423 /nfs/dbraw/zinc/45/94/23/367459423.db2.gz JXZWAKUQMGFQFA-CYBMUJFWSA-N 1 0 286.383 2.022 10 0 CEAERO Cc1nc(C[C@@H]2CCC[N@H+](C/C=C/Cl)C2)no1 ZINC000171504129 367555555 /nfs/dbraw/zinc/55/55/55/367555555.db2.gz DETPSIUHNRNROV-TZNOJPMFSA-N 1 0 255.749 2.385 10 0 CEAERO CC[C@@H](CC(=O)NC[C@@H]1CN(C)CCO1)c1ccccc1 ZINC000171535885 367561450 /nfs/dbraw/zinc/56/14/50/367561450.db2.gz ODAMLASJMZYUKF-GOEBONIOSA-N 1 0 290.407 2.017 10 0 CEAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC1CCSCC1 ZINC000171615834 367579277 /nfs/dbraw/zinc/57/92/77/367579277.db2.gz CGOGAPARQHMECN-HNNXBMFYSA-N 1 0 292.448 2.171 10 0 CEAERO C[C@H]1CN(CCOc2ccccc2Cl)C[C@@H]1C[NH3+] ZINC000631842939 367582890 /nfs/dbraw/zinc/58/28/90/367582890.db2.gz HPQOQYZEZWQSMZ-RYUDHWBXSA-N 1 0 268.788 2.245 10 0 CEAERO C[C@@H]1CN(Cc2coc(-c3ccccc3)n2)C[C@@H]1C[NH3+] ZINC000631842919 367584344 /nfs/dbraw/zinc/58/43/44/367584344.db2.gz HIZOTWLHYULNID-OCCSQVGLSA-N 1 0 271.364 2.368 10 0 CEAERO CC(C)n1ccnc1CN1CCCCC[C@@H]([NH3+])C1 ZINC000631834155 367572711 /nfs/dbraw/zinc/57/27/11/367572711.db2.gz QGEQNXNHJIPXAU-CYBMUJFWSA-N 1 0 250.390 2.167 10 0 CEAERO O=C(c1cc(Cl)c(Cl)[nH]1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171585694 367573483 /nfs/dbraw/zinc/57/34/83/367573483.db2.gz JQGGTGOESGKUAQ-QMMMGPOBSA-N 1 0 288.178 2.242 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccsc1 ZINC000172244819 367703448 /nfs/dbraw/zinc/70/34/48/367703448.db2.gz BLZDNZSLWWKJAX-WCQYABFASA-N 1 0 279.409 2.126 10 0 CEAERO CC[C@@H]1CN(Cc2ccsc2)CC[N@@H+]1C[C@H](C)O ZINC000245754734 370869911 /nfs/dbraw/zinc/86/99/11/370869911.db2.gz OKIRQWFBGXVHDC-GXTWGEPZSA-N 1 0 268.426 2.025 10 0 CEAERO O[C@]12CCCC[C@H]1C[N@H+](Cc1cnn3ccccc13)CC2 ZINC000245717841 370863953 /nfs/dbraw/zinc/86/39/53/370863953.db2.gz HHONUDSKDSPXJG-RDJZCZTQSA-N 1 0 285.391 2.461 10 0 CEAERO C[C@@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1c(F)cccc1F ZINC000245730742 370865087 /nfs/dbraw/zinc/86/50/87/370865087.db2.gz YRRPKYWIZKWDGU-NEPJUHHUSA-N 1 0 294.345 2.375 10 0 CEAERO CC[C@@H]1CN(C(=O)NC[C@@H](C)C(C)C)CC[N@@H+]1CCOC ZINC000172505352 367764159 /nfs/dbraw/zinc/76/41/59/367764159.db2.gz RXMNICUZSKBFEN-HUUCEWRRSA-N 1 0 299.459 2.031 10 0 CEAERO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000245933475 370890487 /nfs/dbraw/zinc/89/04/87/370890487.db2.gz KBGUAMMVVFBVCP-MJBXVCDLSA-N 1 0 290.432 2.467 10 0 CEAERO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H]1CC[C@@H](C)O1)CC2 ZINC000245970742 370895860 /nfs/dbraw/zinc/89/58/60/370895860.db2.gz FMJHLYLCSFMKEI-APIJFGDWSA-N 1 0 280.412 2.028 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)o1 ZINC000173464715 367912065 /nfs/dbraw/zinc/91/20/65/367912065.db2.gz CQRISHTUWIQZIB-KBPBESRZSA-N 1 0 289.379 2.305 10 0 CEAERO Cc1ccc(-c2ocnc2C(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000173500551 367916622 /nfs/dbraw/zinc/91/66/22/367916622.db2.gz XCMRSCUNVPJSHE-AWEZNQCLSA-N 1 0 299.374 2.426 10 0 CEAERO C[C@@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)c1cccc(F)c1 ZINC000173500238 367916852 /nfs/dbraw/zinc/91/68/52/367916852.db2.gz HEWLNRWHWXXLEG-BXUZGUMPSA-N 1 0 264.344 2.092 10 0 CEAERO Cc1csc([C@@H]2CN(CCC(=O)OC(C)C)CCO2)n1 ZINC000173600161 367926586 /nfs/dbraw/zinc/92/65/86/367926586.db2.gz ANFBZFNTOSXOOS-LBPRGKRZSA-N 1 0 298.408 2.167 10 0 CEAERO CSCCC[NH+]1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000173674979 367932047 /nfs/dbraw/zinc/93/20/47/367932047.db2.gz JNJCRCBNPHQNFB-MRXNPFEDSA-N 1 0 294.464 2.091 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccccc1 ZINC000174976180 368085246 /nfs/dbraw/zinc/08/52/46/368085246.db2.gz LLULJJOJHKFDGL-HUUCEWRRSA-N 1 0 258.365 2.385 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc3c(c2)COC3)C1 ZINC000179406721 368336899 /nfs/dbraw/zinc/33/68/99/368336899.db2.gz ZXKXJHMKDQPSMW-HNNXBMFYSA-N 1 0 289.379 2.323 10 0 CEAERO C[C@@H]1CN(C(=O)CSc2ccccc2Cl)C[C@@H]1[NH3+] ZINC000335483757 212157961 /nfs/dbraw/zinc/15/79/61/212157961.db2.gz PYFAQWXGFOHLFE-KOLCDFICSA-N 1 0 284.812 2.238 10 0 CEAERO C[C@@H](C[NH2+]C[C@@H](C)N1CCOCC1)Cc1ccccc1 ZINC000182051306 368519178 /nfs/dbraw/zinc/51/91/78/368519178.db2.gz ZQHVLKMKZJZARS-HZPDHXFCSA-N 1 0 276.424 2.176 10 0 CEAERO CCCC[C@@H](C)[NH2+][C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000182350255 368555824 /nfs/dbraw/zinc/55/58/24/368555824.db2.gz GSYSYAJKUMYNSL-OCCSQVGLSA-N 1 0 292.427 2.392 10 0 CEAERO CCC[C@@H]1C[C@@H](C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CCO1 ZINC000183505600 368628818 /nfs/dbraw/zinc/62/88/18/368628818.db2.gz LRJNUBKYUGXFIS-ARFHVFGLSA-N 1 0 294.439 2.278 10 0 CEAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1cccc(Cl)c1F ZINC000184656847 368709115 /nfs/dbraw/zinc/70/91/15/368709115.db2.gz RDANWFCWBCKMEJ-QWRGUYRKSA-N 1 0 286.778 2.460 10 0 CEAERO C[C@@H]1CCC[C@@H]1CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000184712801 368713934 /nfs/dbraw/zinc/71/39/34/368713934.db2.gz IWORGTMDVZIBRR-MGPQQGTHSA-N 1 0 250.386 2.119 10 0 CEAERO COC1CCC([NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000346433742 368672412 /nfs/dbraw/zinc/67/24/12/368672412.db2.gz SAYNIZAOPKVKLM-YAWVXEGQSA-N 1 0 253.386 2.347 10 0 CEAERO CCC[C@H](CC)NC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000184976874 368732213 /nfs/dbraw/zinc/73/22/13/368732213.db2.gz IABUTQXXZKQZLD-QLFBSQMISA-N 1 0 299.459 2.052 10 0 CEAERO Cn1cc(CN2CCC[N@@H+]([C@@H]3C=CCCC3)CC2)cn1 ZINC000246309202 370945215 /nfs/dbraw/zinc/94/52/15/370945215.db2.gz XYUNMGKHBRNECI-MRXNPFEDSA-N 1 0 274.412 2.037 10 0 CEAERO COC1(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)CCCCC1 ZINC000185684757 368843181 /nfs/dbraw/zinc/84/31/81/368843181.db2.gz KGOBHHYGSTXTNF-KBPBESRZSA-N 1 0 282.428 2.181 10 0 CEAERO CCC[C@@H](C(=O)Nc1cccc2c1OCC[C@@H]2O)[NH+](C)C ZINC000185284764 368781231 /nfs/dbraw/zinc/78/12/31/368781231.db2.gz GGAFTRZCMJNISL-KBPBESRZSA-N 1 0 292.379 2.171 10 0 CEAERO C[C@H]1CCCN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)CC1 ZINC000634747606 368860288 /nfs/dbraw/zinc/86/02/88/368860288.db2.gz RXWKZHOKTRHQNU-YDHLFZDLSA-N 1 0 250.386 2.025 10 0 CEAERO C[C@]1(C(=O)N2CCCC(F)(F)CC2)CCCC[NH2+]1 ZINC000634738666 368851758 /nfs/dbraw/zinc/85/17/58/368851758.db2.gz WKEPQDDMFQCKGF-GFCCVEGCSA-N 1 0 260.328 2.166 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+]C2CCSCC2)C12CCOCC2 ZINC000186396825 368968216 /nfs/dbraw/zinc/96/82/16/368968216.db2.gz NXCLZVNNNAMFHG-KGLIPLIRSA-N 1 0 285.453 2.446 10 0 CEAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)CCC1CC1)CC2 ZINC000186399495 368969928 /nfs/dbraw/zinc/96/99/28/368969928.db2.gz KUTZHHMREQUMLN-AAEUAGOBSA-N 1 0 262.401 2.324 10 0 CEAERO COC(=O)[C@@]1(C)CCC[N@@H+]1CCN(C)c1ccccc1 ZINC000186345621 368960417 /nfs/dbraw/zinc/96/04/17/368960417.db2.gz PQEXJCXQKPHYAD-MRXNPFEDSA-N 1 0 276.380 2.150 10 0 CEAERO C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccccc1N(C)C ZINC000093941877 296131347 /nfs/dbraw/zinc/13/13/47/296131347.db2.gz BEGVBOGUUMLBIP-LSDHHAIUSA-N 1 0 291.439 2.124 10 0 CEAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCS(=O)(=O)CC2)o1 ZINC000634950432 368985404 /nfs/dbraw/zinc/98/54/04/368985404.db2.gz RQGILZRVKRWQEQ-NWDGAFQWSA-N 1 0 271.382 2.206 10 0 CEAERO C[C@H]([NH2+]Cc1ccc2c(c1)CCC(=O)N2C)[C@@H]1CCCO1 ZINC000187120131 369105542 /nfs/dbraw/zinc/10/55/42/369105542.db2.gz DETIXCOIQLONJW-LRDDRELGSA-N 1 0 288.391 2.253 10 0 CEAERO CC(C)C[C@@H](C[NH+](C)C)NS(=O)(=O)CC1CCCC1 ZINC000188223293 369321116 /nfs/dbraw/zinc/32/11/16/369321116.db2.gz BEUYDUPVZCBFQQ-AWEZNQCLSA-N 1 0 290.473 2.072 10 0 CEAERO COC[C@@H](C)C[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000188648738 369388129 /nfs/dbraw/zinc/38/81/29/369388129.db2.gz BSCBMAFMAABVDO-DOTOQJQBSA-N 1 0 291.439 2.118 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]CC(C)(C)OCC)C12CCOCC2 ZINC000188684050 369394243 /nfs/dbraw/zinc/39/42/43/369394243.db2.gz SKXXTTUYTLLVKP-UONOGXRCSA-N 1 0 285.428 2.365 10 0 CEAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCOCC(F)F ZINC000188768062 369406350 /nfs/dbraw/zinc/40/63/50/369406350.db2.gz HRAMQAFAWIXPFL-SRVKXCTJSA-N 1 0 291.338 2.074 10 0 CEAERO Cc1cc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)co1 ZINC000188803586 369410561 /nfs/dbraw/zinc/41/05/61/369410561.db2.gz VYSIWRNNEPAKMZ-CYBMUJFWSA-N 1 0 252.358 2.294 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccncc1C ZINC000228724417 189794870 /nfs/dbraw/zinc/79/48/70/189794870.db2.gz GEBLQLPYOWQYFA-JKSUJKDBSA-N 1 0 259.397 2.449 10 0 CEAERO CC(C)C[C@@H](C)NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246464483 370965711 /nfs/dbraw/zinc/96/57/11/370965711.db2.gz DSMTUTIQNPPUBA-KGLIPLIRSA-N 1 0 267.417 2.301 10 0 CEAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cccn1C ZINC000246238969 284167812 /nfs/dbraw/zinc/16/78/12/284167812.db2.gz STRMNOUGVKFUTE-CFVMTHIKSA-N 1 0 276.380 2.331 10 0 CEAERO O=C(N[C@H]1CCC12CCCC2)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000335832446 284168458 /nfs/dbraw/zinc/16/84/58/284168458.db2.gz WJWQHMGJNCBLLV-KBPBESRZSA-N 1 0 277.412 2.199 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccoc1Cl ZINC000192397550 369809200 /nfs/dbraw/zinc/80/92/00/369809200.db2.gz BORLSJXXQINFER-SNVBAGLBSA-N 1 0 270.760 2.489 10 0 CEAERO C[C@H]1CCN(Cc2nnc(C3CC3)n2C)CCS1 ZINC000192170373 369777755 /nfs/dbraw/zinc/77/77/55/369777755.db2.gz IRKRYIOHLFEYHI-JTQLQIEISA-N 1 0 266.414 2.020 10 0 CEAERO CCCCOC[C@@H](O)C[NH+]1CCN(c2cccs2)CC1 ZINC000193383878 369936122 /nfs/dbraw/zinc/93/61/22/369936122.db2.gz HIUVMKFQNHNTGX-AWEZNQCLSA-N 1 0 298.452 2.048 10 0 CEAERO CC[NH2+][C@@H](C)C(=O)N[C@@H](C)c1cc(C)ccc1OC 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C[C@H](CCOc1ccccc1)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000262646950 371891937 /nfs/dbraw/zinc/89/19/37/371891937.db2.gz VSNFKSFGROIJAX-YCPHGPKFSA-N 1 0 290.407 2.335 10 0 CEAERO c1ccc2c(c1)OC[C@@H]2NC1CC[NH+](C2CC2)CC1 ZINC000268740572 372204337 /nfs/dbraw/zinc/20/43/37/372204337.db2.gz FWAOQUPBIJLWRR-HNNXBMFYSA-N 1 0 258.365 2.337 10 0 CEAERO CN(CCCNC(=O)C[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000054290081 541878608 /nfs/dbraw/zinc/87/86/08/541878608.db2.gz GGPLYCDEIWTSFK-HNNXBMFYSA-N 1 0 289.423 2.019 10 0 CEAERO CC(C)n1ccnc1CN1[C@@H](C[NH3+])CC[C@@H](C)[C@@H]1C ZINC000641810198 372759088 /nfs/dbraw/zinc/75/90/88/372759088.db2.gz UTSQDCPPBXIPGU-HZSPNIEDSA-N 1 0 264.417 2.412 10 0 CEAERO CC1([NH3+])CCN(c2cccc(C(F)(F)F)n2)CC1 ZINC000643028684 372920477 /nfs/dbraw/zinc/92/04/77/372920477.db2.gz SJWZAHDIKUIYNL-UHFFFAOYSA-N 1 0 259.275 2.418 10 0 CEAERO C[C@@H](C(=O)Nc1ccnc2ccncc21)[NH+]1CCCCCC1 ZINC000333383790 205275471 /nfs/dbraw/zinc/27/54/71/205275471.db2.gz XUZUCCNYQGLFDE-ZDUSSCGKSA-N 1 0 298.390 2.255 10 0 CEAERO C[C@H](Nc1ccc(N2CCCC2)nc1)[C@H]1CCC[NH2+]C1 ZINC000643470813 373139436 /nfs/dbraw/zinc/13/94/36/373139436.db2.gz GZUSZHRJWBKXQD-KBPBESRZSA-N 1 0 274.412 2.482 10 0 CEAERO C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CC[C@H]([NH3+])[C@H]2C)o1 ZINC000643590501 373207750 /nfs/dbraw/zinc/20/77/50/373207750.db2.gz HRESMSNASNTWGR-RFHZTLPTSA-N 1 0 276.380 2.284 10 0 CEAERO CC[C@@H](NC(=O)[C@H]1C[NH2+]CCOC1)c1cccc(Cl)c1 ZINC000643633807 373227588 /nfs/dbraw/zinc/22/75/88/373227588.db2.gz SADWQBXEMRCEOU-GXTWGEPZSA-N 1 0 296.798 2.143 10 0 CEAERO COC[C@]1(C(=O)N[C@H]2CCCc3sccc32)CCC[NH2+]1 ZINC000643777745 373265999 /nfs/dbraw/zinc/26/59/99/373265999.db2.gz TXDNKNNIWDTVFK-WFASDCNBSA-N 1 0 294.420 2.010 10 0 CEAERO COC[C@@]1(C(=O)Nc2ccc(Cl)c(OC)c2)CCC[NH2+]1 ZINC000643773952 373266172 /nfs/dbraw/zinc/26/61/72/373266172.db2.gz BPAPGFUFJQQSOV-CQSZACIVSA-N 1 0 298.770 2.056 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000246194508 189925277 /nfs/dbraw/zinc/92/52/77/189925277.db2.gz DMTGPFDCTHZMNK-AETLKFDBSA-N 1 0 294.345 2.312 10 0 CEAERO CCO[C@H](C(=O)N[C@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000246220880 189925555 /nfs/dbraw/zinc/92/55/55/189925555.db2.gz GTJYCNBXEFOJLQ-KKUMJFAQSA-N 1 0 276.380 2.008 10 0 CEAERO CO[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)C12CCC2 ZINC000333878038 205795818 /nfs/dbraw/zinc/79/58/18/205795818.db2.gz VUODCEAOJKEWJK-GUIRCDHDSA-N 1 0 294.439 2.227 10 0 CEAERO CC1CC(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)C1 ZINC000645108683 373857268 /nfs/dbraw/zinc/85/72/68/373857268.db2.gz IAKSCRTZKHTTAB-GNRIBBGQSA-N 1 0 250.386 2.023 10 0 CEAERO Cc1csc2c1ncnc2N[C@@H](CC[NH3+])C(F)F ZINC000383398329 321847822 /nfs/dbraw/zinc/84/78/22/321847822.db2.gz QXIXWLKOLIANAS-ZETCQYMHSA-N 1 0 272.324 2.394 10 0 CEAERO COC(=O)[C@@H]1CCC[N@@H+]1C[C@H]1CCCCC1(F)F ZINC000381584633 375176892 /nfs/dbraw/zinc/17/68/92/375176892.db2.gz CJIVTTQERYUYME-MNOVXSKESA-N 1 0 261.312 2.449 10 0 CEAERO [NH3+]CC[C@H](Nc1ncnc2ccsc21)C(F)F ZINC000383456275 375202569 /nfs/dbraw/zinc/20/25/69/375202569.db2.gz NJKBAXBKRLNNRY-ZETCQYMHSA-N 1 0 258.297 2.086 10 0 CEAERO CN(c1ncc(Br)cc1Cl)C1CC([NH3+])C1 ZINC000385081544 375226582 /nfs/dbraw/zinc/22/65/82/375226582.db2.gz WVIBFEDDXBOCQF-UHFFFAOYSA-N 1 0 290.592 2.423 10 0 CEAERO C[C@H]1C[C@@H]([NH3+])CN1c1ncc(Br)cc1Cl ZINC000385131546 375228543 /nfs/dbraw/zinc/22/85/43/375228543.db2.gz YJCUFAJWZSPDRY-POYBYMJQSA-N 1 0 290.592 2.423 10 0 CEAERO CC[N@@H+]1CC[C@H](NCc2cccc(O)c2Cl)C1 ZINC000389294590 375300582 /nfs/dbraw/zinc/30/05/82/375300582.db2.gz YIQRHCHQHKFGML-NSHDSACASA-N 1 0 254.761 2.229 10 0 CEAERO C[C@]1(C(=O)NCCCCOCc2ccccc2)CCC[NH2+]1 ZINC000390760207 375312813 /nfs/dbraw/zinc/31/28/13/375312813.db2.gz ZBEBEAWPGJJZME-QGZVFWFLSA-N 1 0 290.407 2.242 10 0 CEAERO Cc1cc(CN2C[C@H]3CCCC[N@H+]3C[C@H]2C)ccn1 ZINC000391235466 375315574 /nfs/dbraw/zinc/31/55/74/375315574.db2.gz CEBVAOJPOKENQS-GDBMZVCRSA-N 1 0 259.397 2.449 10 0 CEAERO O=C(CN1C[C@@H]2CC[C@@H](O)C[C@H]2C1)c1ccccc1F ZINC000399043601 375357127 /nfs/dbraw/zinc/35/71/27/375357127.db2.gz IGTGGKITUJADDJ-RWMBFGLXSA-N 1 0 277.339 2.101 10 0 CEAERO COc1ccccc1NC(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000399531748 375366072 /nfs/dbraw/zinc/36/60/72/375366072.db2.gz VGMMKTCWCFVTHC-GWCFXTLKSA-N 1 0 250.342 2.253 10 0 CEAERO C[C@@H](C[NH2+]Cc1ccc(CO)o1)N(C)C(=O)OC(C)(C)C ZINC000282616503 375532415 /nfs/dbraw/zinc/53/24/15/375532415.db2.gz FFRNHNUQWGPLED-NSHDSACASA-N 1 0 298.383 2.117 10 0 CEAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]CCSc1ccccc1 ZINC000282471556 375493125 /nfs/dbraw/zinc/49/31/25/375493125.db2.gz UTCPRLXSJWUPEJ-DGCLKSJQSA-N 1 0 264.394 2.035 10 0 CEAERO CC(C)Oc1cccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)c1 ZINC000282516117 375505442 /nfs/dbraw/zinc/50/54/42/375505442.db2.gz XWTQOZUHKYPWLT-SWLSCSKDSA-N 1 0 276.380 2.231 10 0 CEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccccc1Br ZINC000282520949 375506355 /nfs/dbraw/zinc/50/63/55/375506355.db2.gz YEKUXOYRXQRKTA-CABZTGNLSA-N 1 0 297.196 2.206 10 0 CEAERO CCOC(=O)c1cn2ncnc(Nc3cc[nH+]cc3)c2c1C ZINC000261508300 190040282 /nfs/dbraw/zinc/04/02/82/190040282.db2.gz REYFBXUQIQYCBD-UHFFFAOYSA-N 1 0 297.318 2.353 10 0 CEAERO COC(=O)c1cccnc1C[N@@H+]1C[C@@H](C)CC[C@@H]1C ZINC000306004427 376535605 /nfs/dbraw/zinc/53/56/05/376535605.db2.gz VTXUMAMKWRWMTJ-RYUDHWBXSA-N 1 0 262.353 2.489 10 0 CEAERO Cc1cc2ccccc2nc1N1CCCO[C@@H](C[NH3+])C1 ZINC000313351516 376745064 /nfs/dbraw/zinc/74/50/64/376745064.db2.gz KPYAYNDVGHJWFQ-AWEZNQCLSA-N 1 0 271.364 2.097 10 0 CEAERO C[NH+](C)[C@@H]1CCN(Cc2cccc(O)c2Br)C1 ZINC000315276292 376797386 /nfs/dbraw/zinc/79/73/86/376797386.db2.gz NWYCEDQAZVOCOB-LLVKDONJSA-N 1 0 299.212 2.291 10 0 CEAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000563077738 377086700 /nfs/dbraw/zinc/08/67/00/377086700.db2.gz PKBNLPADJHDVFU-SDDRHHMPSA-N 1 0 279.409 2.195 10 0 CEAERO CC(C)c1nccnc1NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000563312086 377167635 /nfs/dbraw/zinc/16/76/35/377167635.db2.gz UIOCNFYSRMOFFY-ZDUSSCGKSA-N 1 0 262.401 2.164 10 0 CEAERO CC1(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2cccc(F)c2)CC1 ZINC000616570980 542159649 /nfs/dbraw/zinc/15/96/49/542159649.db2.gz OOPXXJROOGCMSQ-UONOGXRCSA-N 1 0 276.355 2.188 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CCCc1ccccn1 ZINC000177014677 542243254 /nfs/dbraw/zinc/24/32/54/542243254.db2.gz ZIJLTNMIIBADGD-INIZCTEOSA-N 1 0 289.423 2.347 10 0 CEAERO Cc1nc(CCN2C[C@@H]3CCC[N@H+]3C[C@H]2C)cs1 ZINC000300412474 379166400 /nfs/dbraw/zinc/16/64/00/379166400.db2.gz UKOLUNYKLNGDSL-RISCZKNCSA-N 1 0 265.426 2.163 10 0 CEAERO COC(=O)c1cccnc1C[N@@H+]1CC[C@H](C)[C@H](C)C1 ZINC000302297974 379354442 /nfs/dbraw/zinc/35/44/42/379354442.db2.gz HAZRDHWHIMOQSL-NWDGAFQWSA-N 1 0 262.353 2.346 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+]CCCOC(C)C)C12CCOCC2 ZINC000186205456 270249194 /nfs/dbraw/zinc/24/91/94/270249194.db2.gz MEBIAURRIBQYEH-LSDHHAIUSA-N 1 0 285.428 2.365 10 0 CEAERO Cc1cc2ncc([C@H](C)[NH2+][C@@H]3CCC[C@H](O)C3)c(C)n2n1 ZINC000037163569 542278794 /nfs/dbraw/zinc/27/87/94/542278794.db2.gz RSYUSMFWWSSQSA-YUTCNCBUSA-N 1 0 288.395 2.300 10 0 CEAERO CCc1ccc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCCO2)cc1 ZINC000183139192 542287812 /nfs/dbraw/zinc/28/78/12/542287812.db2.gz CALSIOUJIGCCDI-DOMZBBRYSA-N 1 0 276.380 2.345 10 0 CEAERO CC1(C)CN(C(=O)NC[C@@H]2CC=CCC2)CC[C@H]1[NH3+] ZINC000334924702 207301050 /nfs/dbraw/zinc/30/10/50/207301050.db2.gz YINZCIKUDUWPBV-CHWSQXEVSA-N 1 0 265.401 2.112 10 0 CEAERO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(OC2CCC2)CC1 ZINC000334942273 207330730 /nfs/dbraw/zinc/33/07/30/207330730.db2.gz BWMLHBDPHPPCOQ-LSDHHAIUSA-N 1 0 253.386 2.323 10 0 CEAERO CNC(=O)[C@H]([NH2+]Cc1c(C)cc(C)cc1C)C(C)C ZINC000183656850 542293823 /nfs/dbraw/zinc/29/38/23/542293823.db2.gz LWXCPVHZWAFBAD-OAHLLOKOSA-N 1 0 262.397 2.472 10 0 CEAERO CC[NH+](CC)C[C@@H](C)Nc1ccc(C(=O)OC)cc1N ZINC000041685133 184552867 /nfs/dbraw/zinc/55/28/67/184552867.db2.gz YELKNDMBITXOAA-LLVKDONJSA-N 1 0 279.384 2.198 10 0 CEAERO COc1ccc2c(c1)nc([C@H]([NH3+])CCSC)n2C ZINC000074297767 184580269 /nfs/dbraw/zinc/58/02/69/184580269.db2.gz XMPOTAJPBBICPB-SNVBAGLBSA-N 1 0 265.382 2.335 10 0 CEAERO CCC[NH2+][C@@H](c1ccccc1)[C@H](C)Sc1nnnn1C ZINC000081845233 184597006 /nfs/dbraw/zinc/59/70/06/184597006.db2.gz DUKXFXDXFZRPDJ-WCQYABFASA-N 1 0 291.424 2.432 10 0 CEAERO CC[C@H](C)NC(=O)COC1(C[NH3+])CCC(C)(C)CC1 ZINC000086711840 184610407 /nfs/dbraw/zinc/61/04/07/184610407.db2.gz FFIQDQYRSPXFPQ-LBPRGKRZSA-N 1 0 270.417 2.215 10 0 CEAERO CCC[C@@H](C)N(C)S(=O)(=O)c1ccc(CC[NH2+]C)cc1 ZINC000088964355 184615694 /nfs/dbraw/zinc/61/56/94/184615694.db2.gz COGFQEFGMRGYSG-CYBMUJFWSA-N 1 0 298.452 2.258 10 0 CEAERO COC(=O)c1ccccc1C[NH2+]C[C@H]1CCCC[C@H]1CO ZINC000089522404 184616083 /nfs/dbraw/zinc/61/60/83/184616083.db2.gz DDENWZFMLRHLNH-HIFRSBDPSA-N 1 0 291.391 2.362 10 0 CEAERO CC1(C)C(NC(=O)Cc2ccc(C[NH3+])cc2)C1(C)C ZINC000092804084 184627293 /nfs/dbraw/zinc/62/72/93/184627293.db2.gz XTANXGIIPXMKFC-UHFFFAOYSA-N 1 0 260.381 2.239 10 0 CEAERO COCCCS[C@@H]1Cc2ccc(OC)cc2[C@H]1[NH3+] ZINC000092860813 184632722 /nfs/dbraw/zinc/63/27/22/184632722.db2.gz TXXHYPUAWGPPAG-ZIAGYGMSSA-N 1 0 267.394 2.389 10 0 CEAERO O=C(Nc1ccc(F)cc1)OC[C@@H]1CCC[NH2+]C1 ZINC000092742699 184624330 /nfs/dbraw/zinc/62/43/30/184624330.db2.gz RHPAEXNIHRYXTH-SNVBAGLBSA-N 1 0 252.289 2.374 10 0 CEAERO C[NH2+]C[C@@H]1CCCO[C@@H]1c1cc(OC)cc(OC)c1 ZINC000092883256 184633349 /nfs/dbraw/zinc/63/33/49/184633349.db2.gz XQZAPUOMOJXWGP-NHYWBVRUSA-N 1 0 265.353 2.391 10 0 CEAERO C[NH2+]C[C@@H]1CCCO[C@@H]1c1ccc2c(c1)OCCO2 ZINC000092883503 184633726 /nfs/dbraw/zinc/63/37/26/184633726.db2.gz LMYJQUUPJOHPHQ-SWLSCSKDSA-N 1 0 263.337 2.145 10 0 CEAERO C[NH2+][C@H]1c2cc(OC)ccc2C[C@H]1SCCOC ZINC000092911623 184633868 /nfs/dbraw/zinc/63/38/68/184633868.db2.gz QYRTZGFLEIRNAW-KGLIPLIRSA-N 1 0 267.394 2.260 10 0 CEAERO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000092951720 184637076 /nfs/dbraw/zinc/63/70/76/184637076.db2.gz PRRSYYWAGQLPDV-GXSJLCMTSA-N 1 0 276.336 2.130 10 0 CEAERO Cc1cccc(C2(Cc3ncnn3CC(C)C)C[NH2+]C2)c1 ZINC000093196596 184654786 /nfs/dbraw/zinc/65/47/86/184654786.db2.gz YXFPALFLZNJXJV-UHFFFAOYSA-N 1 0 284.407 2.326 10 0 CEAERO Cc1cc(-c2nnco2)ccc1N[C@@H]1CC[C@@H]([NH3+])C1 ZINC000093207132 184655790 /nfs/dbraw/zinc/65/57/90/184655790.db2.gz OMAGXMYTIPYNRF-VXGBXAGGSA-N 1 0 258.325 2.337 10 0 CEAERO O=S1(=O)CC[C@@]2(C1)CC[NH2+]C[C@H]2c1cccc(Cl)c1 ZINC000093172733 184653058 /nfs/dbraw/zinc/65/30/58/184653058.db2.gz HIDXINSELXRNOU-UONOGXRCSA-N 1 0 299.823 2.222 10 0 CEAERO CS(=O)(=O)CCC[C@@H](C[NH3+])c1ccccc1Cl ZINC000093179517 184653374 /nfs/dbraw/zinc/65/33/74/184653374.db2.gz QERJAPHJSPKFIW-JTQLQIEISA-N 1 0 275.801 2.207 10 0 CEAERO CCOC(OCC)[C@H]([NH3+])CCc1ccc(OC)cc1 ZINC000093306529 184661959 /nfs/dbraw/zinc/66/19/59/184661959.db2.gz UJUCCNJUFRBSHX-CQSZACIVSA-N 1 0 267.369 2.354 10 0 CEAERO COC[C@](C)(O)C[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000382559423 542364686 /nfs/dbraw/zinc/36/46/86/542364686.db2.gz KXGURBPAWRXPMU-BYNSBNAKSA-N 1 0 257.418 2.434 10 0 CEAERO C[C@H]1CN(C(=O)c2cc(Cl)c3ccccc3n2)C[C@@H]1[NH3+] ZINC000335380535 208324237 /nfs/dbraw/zinc/32/42/37/208324237.db2.gz MMRBLAQHZSRQGB-CABZTGNLSA-N 1 0 289.766 2.307 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@@]2(C1)[NH2+]CCc1occc12 ZINC000710002401 542374270 /nfs/dbraw/zinc/37/42/70/542374270.db2.gz HAOKMBCXWDBIOI-HNNXBMFYSA-N 1 0 278.352 2.261 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)N1CCC(C)CC1 ZINC000245481391 285241114 /nfs/dbraw/zinc/24/11/14/285241114.db2.gz YGIHLDPOYZUXKJ-HZPDHXFCSA-N 1 0 295.471 2.050 10 0 CEAERO COc1ccc(OC)c([C@@H](O)C[C@@H]2CCCC[NH2+]2)c1 ZINC000093517156 184686717 /nfs/dbraw/zinc/68/67/17/184686717.db2.gz JIXMQQSXOFADMG-FZMZJTMJSA-N 1 0 265.353 2.269 10 0 CEAERO COc1ccc2c(c1)CCC[C@]21CNC(=[NH2+])N1C1CC1 ZINC000093373803 184668144 /nfs/dbraw/zinc/66/81/44/184668144.db2.gz SVHRXYFTNXBRGZ-INIZCTEOSA-N 1 0 271.364 2.020 10 0 CEAERO CC[C@@H](C)N1C(=[NH2+])NC[C@H]1c1ccccc1COC ZINC000093380799 184669251 /nfs/dbraw/zinc/66/92/51/184669251.db2.gz RVCPHVMYZAFKDT-RISCZKNCSA-N 1 0 261.369 2.303 10 0 CEAERO [NH2+]=C1NC[C@@H](c2ccc(F)c(F)c2)N1CC1CC1 ZINC000093394026 184670419 /nfs/dbraw/zinc/67/04/19/184670419.db2.gz PBJQRHDDNWCKTA-LBPRGKRZSA-N 1 0 251.280 2.046 10 0 CEAERO NC(=[NH2+])c1c(F)cccc1-n1cc(C(F)(F)F)cn1 ZINC000093409047 184671719 /nfs/dbraw/zinc/67/17/19/184671719.db2.gz YYCFRHRBBUSGPL-UHFFFAOYSA-N 1 0 272.205 2.314 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C)C(=O)OC(C)(C)C ZINC000252576074 285275885 /nfs/dbraw/zinc/27/58/85/285275885.db2.gz HUBXULBQGWFXQF-OLZOCXBDSA-N 1 0 270.417 2.133 10 0 CEAERO C[NH2+][C@H](C)CCCCS(=O)(=O)c1ccccc1F ZINC000081923042 177896036 /nfs/dbraw/zinc/89/60/36/177896036.db2.gz KVGJOKRCOIUWTB-LLVKDONJSA-N 1 0 273.373 2.378 10 0 CEAERO C[NH2+][C@H](C)CCCS(=O)(=O)c1ccc(C)cc1C ZINC000081922372 177895813 /nfs/dbraw/zinc/89/58/13/177895813.db2.gz IDIKKIQSNAUKCN-CYBMUJFWSA-N 1 0 269.410 2.465 10 0 CEAERO CCC[C@H]([NH2+]C)[C@H](CC)Sc1n[nH]c(=O)n1CCC ZINC000081879272 177872874 /nfs/dbraw/zinc/87/28/74/177872874.db2.gz ZWQDIZKHWSOCGR-QWRGUYRKSA-N 1 0 286.445 2.240 10 0 CEAERO CCCn1c(=O)[nH]nc1S[C@@H]1CCCCC[C@@H]1[NH2+]CC ZINC000081879274 177872457 /nfs/dbraw/zinc/87/24/57/177872457.db2.gz RRTGEYIUUZTWQD-NWDGAFQWSA-N 1 0 298.456 2.384 10 0 CEAERO C[NH2+][C@@H]1CCOC[C@H]1Sc1ccc(F)cc1F ZINC000081784483 177859271 /nfs/dbraw/zinc/85/92/71/177859271.db2.gz KZSORPVOFSHFGO-ZYHUDNBSSA-N 1 0 259.321 2.434 10 0 CEAERO CCC[C@H]([NH2+]CC)[C@H](CC)Sc1nncn1C ZINC000081866942 177866410 /nfs/dbraw/zinc/86/64/10/177866410.db2.gz SDJMVIGWJZIWHS-QWRGUYRKSA-N 1 0 256.419 2.464 10 0 CEAERO CC[NH2+][C@H](CSCCO)c1ccccc1OCC ZINC000081797071 177862337 /nfs/dbraw/zinc/86/23/37/177862337.db2.gz PVOCYYOORDGCIZ-CYBMUJFWSA-N 1 0 269.410 2.461 10 0 CEAERO C[C@H](Nc1nccc(C(F)(F)F)n1)[C@H]1CCC[NH2+]C1 ZINC000081586889 177825757 /nfs/dbraw/zinc/82/57/57/177825757.db2.gz PMHDKQXKJLJDMC-IUCAKERBSA-N 1 0 274.290 2.295 10 0 CEAERO Cc1nc(CN(C)C[C@@H]2CCCCC[NH2+]2)cs1 ZINC000081038620 177758228 /nfs/dbraw/zinc/75/82/28/177758228.db2.gz BGXRQOOMYBBHHK-LBPRGKRZSA-N 1 0 253.415 2.416 10 0 CEAERO Nc1cc[nH+]cc1C[C@H](O)Cc1ccc(F)cc1F ZINC000080962058 177741783 /nfs/dbraw/zinc/74/17/83/177741783.db2.gz VTOYKFZSPZOYNC-GFCCVEGCSA-N 1 0 264.275 2.088 10 0 CEAERO CCN(C[C@H](C(=O)OC)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000080960869 177740846 /nfs/dbraw/zinc/74/08/46/177740846.db2.gz DODCDACABHWXNZ-CVEARBPZSA-N 1 0 290.407 2.017 10 0 CEAERO CC[C@@](C)(C[NH3+])NC(=O)[C@@H]1CCCc2ccccc21 ZINC000080885340 177722658 /nfs/dbraw/zinc/72/26/58/177722658.db2.gz RZKMFHUDYVLNSA-ZBFHGGJFSA-N 1 0 260.381 2.350 10 0 CEAERO C[NH2+][C@@H](C)c1csc(N(C)CCc2ccncc2)n1 ZINC000080805080 177709973 /nfs/dbraw/zinc/70/99/73/177709973.db2.gz XJQVRARRGVLLLO-NSHDSACASA-N 1 0 276.409 2.497 10 0 CEAERO CC(C)[NH2+][C@]1(CO)CCC[C@@H]1CCN(C)CC(F)(F)F ZINC000093617122 184695946 /nfs/dbraw/zinc/69/59/46/184695946.db2.gz MVPAKUVHAYLDGS-OLZOCXBDSA-N 1 0 296.377 2.400 10 0 CEAERO Cc1ncn(CC[C@@H]2CCC[C@]2(CO)[NH2+]C(C)C)c1C ZINC000093618459 184696748 /nfs/dbraw/zinc/69/67/48/184696748.db2.gz DPWPDPUBQJYHFI-JKSUJKDBSA-N 1 0 279.428 2.419 10 0 CEAERO CCc1nccn1CC[C@H]1CCC[C@@]1(CO)[NH2+]C1CC1 ZINC000093618998 184696845 /nfs/dbraw/zinc/69/68/45/184696845.db2.gz JZAACVQOJLYYKM-CJNGLKHVSA-N 1 0 277.412 2.119 10 0 CEAERO C[NH2+][C@]1(CO)CCC[C@H]1CCOc1cccc(F)c1 ZINC000093621475 184697471 /nfs/dbraw/zinc/69/74/71/184697471.db2.gz MCOXFZWDKIZTBI-WFASDCNBSA-N 1 0 267.344 2.345 10 0 CEAERO Cc1csc(SCC[C@@H]2CCC[C@@]2([NH3+])CO)n1 ZINC000093622781 184697710 /nfs/dbraw/zinc/69/77/10/184697710.db2.gz HSONDPOWPUNRKC-CMPLNLGQSA-N 1 0 272.439 2.424 10 0 CEAERO C[NH2+][C@@H]1CCC[C@@H]1CCS(=O)(=O)c1ccc(F)cc1 ZINC000093622855 184697781 /nfs/dbraw/zinc/69/77/81/184697781.db2.gz KNPHOGIMFWEWCA-BXUZGUMPSA-N 1 0 285.384 2.378 10 0 CEAERO CO[C@H](C)c1noc(CC[C@H](CC[NH3+])C(C)C)n1 ZINC000093688666 184706319 /nfs/dbraw/zinc/70/63/19/184706319.db2.gz JDVPEFVNZPIYSQ-GHMZBOCLSA-N 1 0 255.362 2.331 10 0 CEAERO COc1ccc(O[C@@H]2CCC[C@](CO)([NH2+]C3CC3)C2)cc1 ZINC000093785663 184722013 /nfs/dbraw/zinc/72/20/13/184722013.db2.gz XRRIYEWRRSIKGG-SJORKVTESA-N 1 0 291.391 2.500 10 0 CEAERO CC[NH2+][C@]1(CO)CCC[C@@H](SCCCOC)C1 ZINC000093786303 184722083 /nfs/dbraw/zinc/72/20/83/184722083.db2.gz AEZUNCBLXXDNIL-CHWSQXEVSA-N 1 0 261.431 2.039 10 0 CEAERO CCN(CC1CC[NH2+]CC1)C(=O)c1ccsc1 ZINC000094022385 184750340 /nfs/dbraw/zinc/75/03/40/184750340.db2.gz AJYREVDICLCCSW-UHFFFAOYSA-N 1 0 252.383 2.210 10 0 CEAERO COc1ccc(-c2nnc(CC[NH2+]C(C)(C)C)o2)cc1O ZINC000094067341 184753635 /nfs/dbraw/zinc/75/36/35/184753635.db2.gz NFLCFLQLZAZCDK-UHFFFAOYSA-N 1 0 291.351 2.381 10 0 CEAERO Cc1csc(C[C@@H]([NH3+])[C@@H]2CCc3cccnc32)n1 ZINC000094117542 184755655 /nfs/dbraw/zinc/75/56/55/184755655.db2.gz XHMAUNXDYWWOSV-NWDGAFQWSA-N 1 0 259.378 2.446 10 0 CEAERO CCO[C@@H](C)[C@H]([NH3+])Cc1nc2ccccc2n1CC ZINC000094171320 184759028 /nfs/dbraw/zinc/75/90/28/184759028.db2.gz IEFVXAGLYYXXQC-NWDGAFQWSA-N 1 0 261.369 2.351 10 0 CEAERO CC[C@H]([NH3+])Cc1noc(-c2ccc(F)c(F)c2F)n1 ZINC000094185698 184760774 /nfs/dbraw/zinc/76/07/74/184760774.db2.gz BETMGUWCQOBGQJ-LURJTMIESA-N 1 0 271.242 2.434 10 0 CEAERO CC[C@](C)([NH3+])C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000094231198 184766795 /nfs/dbraw/zinc/76/67/95/184766795.db2.gz UBSRMMSKYJSFCK-NSHDSACASA-N 1 0 272.251 2.074 10 0 CEAERO CCC([NH3+])(CC)C(=O)N1CCC[C@H]1c1cccnc1 ZINC000094243684 184769093 /nfs/dbraw/zinc/76/90/93/184769093.db2.gz QZQUBARKXDUJFG-ZDUSSCGKSA-N 1 0 261.369 2.263 10 0 CEAERO C[C@H](Cc1cccs1)N(C)c1ccc(N)c(N)[nH+]1 ZINC000094260667 184770721 /nfs/dbraw/zinc/77/07/21/184770721.db2.gz DRGMNFDWMGXSGQ-SECBINFHSA-N 1 0 262.382 2.375 10 0 CEAERO COC(=O)c1ccc(N[C@H]2CCCC[C@@H]2[NH3+])c(F)c1F ZINC000094271954 184774624 /nfs/dbraw/zinc/77/46/24/184774624.db2.gz ORACQSNPHCNDLU-UWVGGRQHSA-N 1 0 284.306 2.433 10 0 CEAERO CCCS(=O)(=O)[C@H]1CCCC(C)(C)[C@H]1[NH2+]CC ZINC000094281640 184775120 /nfs/dbraw/zinc/77/51/20/184775120.db2.gz QKSIRURDMWPXAY-RYUDHWBXSA-N 1 0 261.431 2.368 10 0 CEAERO [NH3+]C1(CC(=O)N(Cc2cccc(O)c2)C2CC2)CCC1 ZINC000094294734 184778063 /nfs/dbraw/zinc/77/80/63/184778063.db2.gz JNRHEYGXPLNXAG-UHFFFAOYSA-N 1 0 274.364 2.155 10 0 CEAERO COC[C@H](C)N(C)c1nc(C(F)(F)F)ccc1C[NH3+] ZINC000094334187 184782469 /nfs/dbraw/zinc/78/24/69/184782469.db2.gz UMZJZLOUIWQGBT-QMMMGPOBSA-N 1 0 277.290 2.030 10 0 CEAERO CCOCCCOc1c(F)cc(CC[NH3+])cc1F ZINC000094349680 184786973 /nfs/dbraw/zinc/78/69/73/184786973.db2.gz NLFLBCSCRPGXOB-UHFFFAOYSA-N 1 0 259.296 2.271 10 0 CEAERO COCCCC[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000094370924 184790111 /nfs/dbraw/zinc/79/01/11/184790111.db2.gz VNXAUEGDPRWKIR-CYBMUJFWSA-N 1 0 273.442 2.447 10 0 CEAERO CCOC[C@@H]([NH2+]C)[C@@H]1CCOC2(CCSCC2)C1 ZINC000094406232 184793845 /nfs/dbraw/zinc/79/38/45/184793845.db2.gz CHZBXJGYKKJGHB-CHWSQXEVSA-N 1 0 273.442 2.303 10 0 CEAERO [NH3+][C@H]1CCCCC[C@@H]1C(=O)NCCc1ccccc1F ZINC000094749087 184852395 /nfs/dbraw/zinc/85/23/95/184852395.db2.gz BMJFYTURYLDQSJ-ZFWWWQNUSA-N 1 0 278.371 2.392 10 0 CEAERO Cc1n[nH]cc1CCCNc1[nH]c2ccc(N)cc2[nH+]1 ZINC000094770822 184857822 /nfs/dbraw/zinc/85/78/22/184857822.db2.gz XLJBXVMFACQJIU-UHFFFAOYSA-N 1 0 270.340 2.221 10 0 CEAERO CC(C)(C)[C@H]([NH3+])Cc1nc([C@]2(C)CCCO2)no1 ZINC000094786095 184864067 /nfs/dbraw/zinc/86/40/67/184864067.db2.gz RLEDGWHJXWZQGE-RNCFNFMXSA-N 1 0 253.346 2.011 10 0 CEAERO C[C@@H]([NH3+])c1cccc(NC(=O)NC[C@@]2(C)CCCO2)c1 ZINC000094808821 184870666 /nfs/dbraw/zinc/87/06/66/184870666.db2.gz MEZXSYLLXQYKFD-IAQYHMDHSA-N 1 0 277.368 2.397 10 0 CEAERO C[C@H]1C[C@](C[NH3+])(N(C)c2cccc(F)c2)CS1 ZINC000094473595 184807706 /nfs/dbraw/zinc/80/77/06/184807706.db2.gz PHANNEGXADXAKM-GXFFZTMASA-N 1 0 254.374 2.485 10 0 CEAERO C[C@@H]1C[C@@]2(CNC(=[NH2+])N2c2ccccc2F)CS1 ZINC000094475257 184807760 /nfs/dbraw/zinc/80/77/60/184807760.db2.gz XPCBHRHNIYABPB-NOZJJQNGSA-N 1 0 265.357 2.225 10 0 CEAERO C[C@H](Cn1ccnc1)[NH2+][C@H]1CSCC(C)(C)C1 ZINC000094488115 184809313 /nfs/dbraw/zinc/80/93/13/184809313.db2.gz AFZURFSFNMUEQF-VXGBXAGGSA-N 1 0 253.415 2.393 10 0 CEAERO CC[C@H](C)N1C(N)=[NH+]C[C@]12CSCC(C)(C)C2 ZINC000094491846 184810194 /nfs/dbraw/zinc/81/01/94/184810194.db2.gz RLSKOQQQLHBXRN-GXFFZTMASA-N 1 0 255.431 2.317 10 0 CEAERO CC[NH2+][C@H](CC)[C@H](C)c1nc([C@@H]2CSCCO2)no1 ZINC000094505764 184811919 /nfs/dbraw/zinc/81/19/19/184811919.db2.gz PLZSUGMIJUCGIJ-AXFHLTTASA-N 1 0 285.413 2.366 10 0 CEAERO CCCc1ccc([C@H]([NH2+]CC)[C@H]2CN3CCN2CC3)cc1 ZINC000094510086 184811922 /nfs/dbraw/zinc/81/19/22/184811922.db2.gz VPIPDBVTRVMYEG-MSOLQXFVSA-N 1 0 287.451 2.290 10 0 CEAERO CCC[NH2+][C@@H](c1ccc(C)cc1)[C@H]1CN2CCN1CC2 ZINC000094510718 184812262 /nfs/dbraw/zinc/81/22/62/184812262.db2.gz XCYVONOZBHZHTD-SJORKVTESA-N 1 0 273.424 2.036 10 0 CEAERO CC[NH+]1CCC(N(C)Cc2nc3c(cccc3N)o2)CC1 ZINC000094542425 184814885 /nfs/dbraw/zinc/81/48/85/184814885.db2.gz CYBZJCVCEAJKKP-UHFFFAOYSA-N 1 0 288.395 2.326 10 0 CEAERO C[C@@H]1C[C@@H]([NH3+])CN(C(=O)c2nccc3ccccc32)C1 ZINC000094549876 184816990 /nfs/dbraw/zinc/81/69/90/184816990.db2.gz REIQVLRTDWMNGS-DGCLKSJQSA-N 1 0 269.348 2.044 10 0 CEAERO COc1ccc2nc([C@@H]3CC[C@H](C[NH3+])O3)sc2c1 ZINC000094560640 184817970 /nfs/dbraw/zinc/81/79/70/184817970.db2.gz YWFMGFHXLFTOOE-KOLCDFICSA-N 1 0 264.350 2.484 10 0 CEAERO Cc1ccc(-c2noc([C@@H]3CC[C@@H](C[NH3+])O3)n2)cc1F ZINC000094560773 184818102 /nfs/dbraw/zinc/81/81/02/184818102.db2.gz ZOSTXQLUIQWLBC-JQWIXIFHSA-N 1 0 277.299 2.363 10 0 CEAERO C[C@@H](C[NH3+])[C@@H](O)c1cccc(C(F)(F)F)c1F ZINC000094600427 184823598 /nfs/dbraw/zinc/82/35/98/184823598.db2.gz IUEWLZXDFKFOHX-QUBYGPBYSA-N 1 0 251.223 2.473 10 0 CEAERO CC(C)[NH2+][C@]1(C(N)=O)CCC[C@H](Sc2ccncc2)C1 ZINC000094614879 184826112 /nfs/dbraw/zinc/82/61/12/184826112.db2.gz AIYMNDSNBTVGAC-DZGCQCFKSA-N 1 0 293.436 2.338 10 0 CEAERO CCC[NH2+][C@H](CCSc1cccc(F)c1)C(N)=O ZINC000094624088 184828349 /nfs/dbraw/zinc/82/83/49/184828349.db2.gz JTAOZWDPXMMBIV-GFCCVEGCSA-N 1 0 270.373 2.161 10 0 CEAERO C[NH2+][C@@H]1CCC[C@H]1CCS(=O)(=O)c1cccc(F)c1 ZINC000094625031 184828661 /nfs/dbraw/zinc/82/86/61/184828661.db2.gz VKRDEGQMFJOPEF-SMDDNHRTSA-N 1 0 285.384 2.378 10 0 CEAERO CC(C)(C)[NH2+]CC[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000094643867 184832627 /nfs/dbraw/zinc/83/26/27/184832627.db2.gz BMVOKLCNKSJSBZ-NWDGAFQWSA-N 1 0 261.431 2.368 10 0 CEAERO COc1cccc(N(C)C(=O)[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000094648021 184834061 /nfs/dbraw/zinc/83/40/61/184834061.db2.gz HVTPBVPNKBVACN-SMDDNHRTSA-N 1 0 262.353 2.046 10 0 CEAERO Cc1ncccc1OC[C@@H]1CC[C@H](C[NH2+]C2CC2)O1 ZINC000094674031 184838491 /nfs/dbraw/zinc/83/84/91/184838491.db2.gz LHNCGKKWFJCIQG-KGLIPLIRSA-N 1 0 262.353 2.068 10 0 CEAERO CC(=O)Nc1ccc(F)c(NC(=O)[C@@H](C[NH3+])CC(C)C)c1 ZINC000094697432 184841708 /nfs/dbraw/zinc/84/17/08/184841708.db2.gz KYXCEAULODRPJO-LLVKDONJSA-N 1 0 295.358 2.344 10 0 CEAERO Cc1ccc(OCCN(C)C(=O)[C@@H](C[NH3+])CC(C)C)cc1 ZINC000094698396 184842718 /nfs/dbraw/zinc/84/27/18/184842718.db2.gz NKRRVEIFQSEBQO-OAHLLOKOSA-N 1 0 292.423 2.453 10 0 CEAERO CCC(CC)([C@@H](O)Cc1nc(C)cs1)[NH+](C)C ZINC000094972316 184909413 /nfs/dbraw/zinc/90/94/13/184909413.db2.gz HTCVRFWWUPDWOU-NSHDSACASA-N 1 0 256.415 2.475 10 0 CEAERO C[NH2+]Cc1ccnn1Cc1nc(C(C)(C)C)cs1 ZINC000094978839 184910005 /nfs/dbraw/zinc/91/00/05/184910005.db2.gz YZEDNNCBPYOKIS-UHFFFAOYSA-N 1 0 264.398 2.405 10 0 CEAERO CCOc1ccc(NC(=O)C2(CC)CC[NH2+]CC2)cn1 ZINC000094988853 184910976 /nfs/dbraw/zinc/91/09/76/184910976.db2.gz UIIDXIHZLRCQKL-UHFFFAOYSA-N 1 0 277.368 2.199 10 0 CEAERO CO[C@@H]1CCC[C@H](Oc2cc([C@@H](C)[NH3+])ccn2)C1 ZINC000095001972 184913052 /nfs/dbraw/zinc/91/30/52/184913052.db2.gz CRTFPJAKTBHTGL-RTXFEEFZSA-N 1 0 250.342 2.438 10 0 CEAERO CCC[NH2+][C@H](C)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000095001886 184913126 /nfs/dbraw/zinc/91/31/26/184913126.db2.gz CGEIWEXGOWHUFK-DGCLKSJQSA-N 1 0 250.342 2.310 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@H]1NC(=O)Cc1c(F)cccc1F ZINC000095045954 184923038 /nfs/dbraw/zinc/92/30/38/184923038.db2.gz FOKBAAVQIRYQLD-ZIAGYGMSSA-N 1 0 282.334 2.284 10 0 CEAERO CC[NH2+][C@H]1CCCN(Cc2sccc2C)C1=O ZINC000094884853 184886939 /nfs/dbraw/zinc/88/69/39/184886939.db2.gz VVXVYPGUSMFWHC-NSHDSACASA-N 1 0 252.383 2.157 10 0 CEAERO CC(C)CN(CC[NH3+])c1ncnc2c1CCCCC2 ZINC000094888468 184888660 /nfs/dbraw/zinc/88/86/60/184888660.db2.gz AURSHYXTJZRHAS-UHFFFAOYSA-N 1 0 262.401 2.167 10 0 CEAERO CCN(C(=O)c1ccc(C)cc1F)[C@H]1CCC[NH2+]C1 ZINC000094914148 184891653 /nfs/dbraw/zinc/89/16/53/184891653.db2.gz PGSMOEMXXGNNON-LBPRGKRZSA-N 1 0 264.344 2.348 10 0 CEAERO Cc1cccc(CN(C)c2ccc(F)cc2C(N)=[NH2+])n1 ZINC000094916982 184893361 /nfs/dbraw/zinc/89/33/61/184893361.db2.gz KONBUWJZWXOAPL-UHFFFAOYSA-N 1 0 272.327 2.450 10 0 CEAERO COc1ccc(C[C@H]([NH3+])c2ncc[nH]2)cc1Br ZINC000094938069 184897160 /nfs/dbraw/zinc/89/71/60/184897160.db2.gz PAMJKBXLHJFJFE-JTQLQIEISA-N 1 0 296.168 2.423 10 0 CEAERO C[C@@H](CCCO)[NH2+][C@]1(CN)CCCC(C)(C)CC1 ZINC000094942998 184897911 /nfs/dbraw/zinc/89/79/11/184897911.db2.gz RQBRDNZFYNXCFJ-DZGCQCFKSA-N 1 0 256.434 2.425 10 0 CEAERO COc1ccccc1N1C(=[NH2+])NC[C@@]1(C)C1(C)CC1 ZINC000094955352 184902470 /nfs/dbraw/zinc/90/24/70/184902470.db2.gz QYMFBWSKDRYLAN-HNNXBMFYSA-N 1 0 259.353 2.389 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)CCCC[NH3+])cc1F ZINC000094956356 184903834 /nfs/dbraw/zinc/90/38/34/184903834.db2.gz KYTLXDIHNQJEAV-NSHDSACASA-N 1 0 252.333 2.440 10 0 CEAERO CCN1CC[C@H](C[NH2+]C)[C@@H]1c1ccc(OC)cc1OC ZINC000070282435 285382137 /nfs/dbraw/zinc/38/21/37/285382137.db2.gz DTFZTYBGPRXYNP-MLGOLLRUSA-N 1 0 278.396 2.306 10 0 CEAERO C[C@H](CC(=O)N1CCO[C@H](C[NH+](C)C)C1)C1CCCCC1 ZINC000116783517 533638212 /nfs/dbraw/zinc/63/82/12/533638212.db2.gz YQDWJLFQTLYFOI-GDBMZVCRSA-N 1 0 296.455 2.382 10 0 CEAERO C[C@H]([NH2+]CC(=O)N1CCCC1)c1cccc(-n2ccnc2)c1 ZINC000189915478 130038430 /nfs/dbraw/zinc/03/84/30/130038430.db2.gz FYCWVQHCJRIPCN-AWEZNQCLSA-N 1 0 298.390 2.145 10 0 CEAERO c1nc2n(n1)C[C@@H]([NH2+]Cc1ccc(OCC3CC3)cc1)CC2 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CC[NH2+]CCCS(=O)(=O)N1c2ccccc2CC[C@@H]1C ZINC000088914932 135057738 /nfs/dbraw/zinc/05/77/38/135057738.db2.gz UYSAXIPIJQVEBT-ZDUSSCGKSA-N 1 0 296.436 2.157 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)N1CCCc2ccccc21 ZINC000089449794 135059389 /nfs/dbraw/zinc/05/93/89/135059389.db2.gz DXMRVUPYRQBWQX-KGLIPLIRSA-N 1 0 258.365 2.341 10 0 CEAERO CC[NH2+]C[C@@H]1CCCCN1c1ncncc1Br ZINC000090782611 135064583 /nfs/dbraw/zinc/06/45/83/135064583.db2.gz HQTBKCSSPFWKLL-JTQLQIEISA-N 1 0 299.216 2.208 10 0 CEAERO CCOc1cc(N2CCC[C@@H](C[NH2+]C3CC3)C2)nc(C)n1 ZINC000090788153 135065639 /nfs/dbraw/zinc/06/56/39/135065639.db2.gz JKFRZIPOENWCSI-ZDUSSCGKSA-N 1 0 290.411 2.152 10 0 CEAERO CCOc1ncnc(N2CCC([C@@H]3CCC[NH2+]3)CC2)c1C ZINC000090789618 135065671 /nfs/dbraw/zinc/06/56/71/135065671.db2.gz VNYDYHHDOLHLNC-AWEZNQCLSA-N 1 0 290.411 2.152 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccccc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090908278 135066627 /nfs/dbraw/zinc/06/66/27/135066627.db2.gz LJEXZLUIOCARAY-KFWWJZLASA-N 1 0 260.381 2.334 10 0 CEAERO [NH3+]CCc1c(Cl)cccc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090908249 135066778 /nfs/dbraw/zinc/06/67/78/135066778.db2.gz CUAOEDGGOSABGH-PHIMTYICSA-N 1 0 266.772 2.209 10 0 CEAERO COc1ccccc1N1CC[NH+](CC(C)(C)[C@H](C)O)CC1 ZINC000091405708 135068812 /nfs/dbraw/zinc/06/88/12/135068812.db2.gz VPULGYQOCQBGND-AWEZNQCLSA-N 1 0 292.423 2.224 10 0 CEAERO Cc1ncccc1N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC000091498319 135070953 /nfs/dbraw/zinc/07/09/53/135070953.db2.gz SPNFPJNDHVAFKK-INIZCTEOSA-N 1 0 267.376 2.411 10 0 CEAERO Cc1cc(N2CC[N@@H+](C)C[C@@H]2c2ccccc2)ncc1N ZINC000092026413 135075194 /nfs/dbraw/zinc/07/51/94/135075194.db2.gz URWZFOPAUMHKBK-MRXNPFEDSA-N 1 0 282.391 2.465 10 0 CEAERO CN1CCN(Cc2cc(N)cc[nH+]2)c2ccccc21 ZINC000092419266 135076192 /nfs/dbraw/zinc/07/61/92/135076192.db2.gz JHMOJKHQTQORTI-UHFFFAOYSA-N 1 0 254.337 2.120 10 0 CEAERO C[C@@H]1[NH2+]CC[C@H]1CN1CCN(c2ccccc2Cl)CC1 ZINC000092957711 135077526 /nfs/dbraw/zinc/07/75/26/135077526.db2.gz MENMDHMLGPQRLA-KBPBESRZSA-N 1 0 293.842 2.460 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000093224393 135079871 /nfs/dbraw/zinc/07/98/71/135079871.db2.gz LPNKYLFOKXLETA-ZIAGYGMSSA-N 1 0 277.387 2.218 10 0 CEAERO [NH3+]Cc1c(F)cccc1N1CCO[C@H]2CCCC[C@@H]21 ZINC000093395391 135080460 /nfs/dbraw/zinc/08/04/60/135080460.db2.gz WOCFSEUYZSKKGU-GJZGRUSLSA-N 1 0 264.344 2.432 10 0 CEAERO C[C@@H](C[C@@H]1CCC[NH2+]1)Nc1ccccc1N1CCOCC1 ZINC000093463989 135080913 /nfs/dbraw/zinc/08/09/13/135080913.db2.gz WSKVYOGVUFKZDY-GJZGRUSLSA-N 1 0 289.423 2.466 10 0 CEAERO CSC1(C[NH3+])CCN(c2ccncc2Cl)CC1 ZINC000094272390 135085779 /nfs/dbraw/zinc/08/57/79/135085779.db2.gz HFJXJUCWCXHDPD-UHFFFAOYSA-N 1 0 271.817 2.396 10 0 CEAERO CC[C@@H]([NH3+])Cc1c(C)nn(C2CCOCC2)c1C ZINC000069311213 522641236 /nfs/dbraw/zinc/64/12/36/522641236.db2.gz NTQAVIGLNQCQHV-GFCCVEGCSA-N 1 0 251.374 2.131 10 0 CEAERO CCC[C@@H]1C[C@H]1[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000300576775 394456692 /nfs/dbraw/zinc/45/66/92/394456692.db2.gz CVGGYCMKKDQYPF-OSAQELSMSA-N 1 0 267.344 2.344 10 0 CEAERO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C[C@H]1CN(C)CCO1 ZINC000246363866 394514626 /nfs/dbraw/zinc/51/46/26/394514626.db2.gz ISESSCSCGYRIBJ-APIJFGDWSA-N 1 0 254.418 2.121 10 0 CEAERO [NH3+]C[C@H]1CN(c2ccnc3cc(Cl)ccc32)CCO1 ZINC000041162085 394499861 /nfs/dbraw/zinc/49/98/61/394499861.db2.gz SQCOIZMHXFZHBA-NSHDSACASA-N 1 0 277.755 2.052 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)Cc2ccccc2F)C1 ZINC000052592405 394558164 /nfs/dbraw/zinc/55/81/64/394558164.db2.gz GTQULFJUIUULHF-AWEZNQCLSA-N 1 0 293.386 2.451 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)Cc2cccc(F)c2)C1 ZINC000052593278 394558188 /nfs/dbraw/zinc/55/81/88/394558188.db2.gz CSZQICIHBDYQBX-HNNXBMFYSA-N 1 0 293.386 2.451 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(F)c(C)c2)C1 ZINC000052520355 394558272 /nfs/dbraw/zinc/55/82/72/394558272.db2.gz NGCLGGHMKPDPCX-CQSZACIVSA-N 1 0 293.386 2.418 10 0 CEAERO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCCO[C@@H]1C ZINC000253278604 394576371 /nfs/dbraw/zinc/57/63/71/394576371.db2.gz OFIDJTREUWDQHQ-LXTVHRRPSA-N 1 0 282.428 2.038 10 0 CEAERO [NH3+][C@]1(Cc2ccsc2Br)CCOC1 ZINC000306775147 394518145 /nfs/dbraw/zinc/51/81/45/394518145.db2.gz WMOHQYCHGYEUMS-VIFPVBQESA-N 1 0 262.172 2.171 10 0 CEAERO CS[C@@H]1CCC[C@@H](NC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000246905760 394523034 /nfs/dbraw/zinc/52/30/34/394523034.db2.gz APLLSKSKXUJPRN-FRRDWIJNSA-N 1 0 285.457 2.006 10 0 CEAERO Fc1ccc2c(c1)[C@@H]([N@@H+]1CC[C@@H](N3CCOCC3)C1)CC2 ZINC000248343463 394538399 /nfs/dbraw/zinc/53/83/99/394538399.db2.gz KIMDIGMLMCBZQQ-WBVHZDCISA-N 1 0 290.382 2.220 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1Cc2ccccc2C1 ZINC000248404129 394539764 /nfs/dbraw/zinc/53/97/64/394539764.db2.gz ZWGSVTOQDRPUNX-GUYCJALGSA-N 1 0 299.418 2.032 10 0 CEAERO Cc1ccc(C(=O)N(C)C[C@H]2CC[N@H+](C)C2)c(F)c1 ZINC000094216690 394670322 /nfs/dbraw/zinc/67/03/22/394670322.db2.gz MNBZHHJFQQKLTC-LBPRGKRZSA-N 1 0 264.344 2.158 10 0 CEAERO FC(F)(F)c1cccc(N2CC[C@H]3[NH2+]CC[C@H]3C2)n1 ZINC000261625755 394605061 /nfs/dbraw/zinc/60/50/61/394605061.db2.gz VDRVIMMEJGVWQO-VHSXEESVSA-N 1 0 271.286 2.289 10 0 CEAERO Cn1cc([C@H]2CCC[N@@H+]2CCC(=O)OC(C)(C)C)cn1 ZINC000264035766 394632460 /nfs/dbraw/zinc/63/24/60/394632460.db2.gz OIVGGYACZLDMSE-CYBMUJFWSA-N 1 0 279.384 2.289 10 0 CEAERO C[C@@H](CS(C)(=O)=O)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000081902675 394639223 /nfs/dbraw/zinc/63/92/23/394639223.db2.gz LZGCKKBLMNZUND-WOPDTQHZSA-N 1 0 261.431 2.224 10 0 CEAERO C[C@H]1C[NH2+]CCN1c1nc2ccccc2nc1Cl ZINC000095069584 394672030 /nfs/dbraw/zinc/67/20/30/394672030.db2.gz YGXLIFXMOYKPAJ-VIFPVBQESA-N 1 0 262.744 2.081 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ncc(Cl)cn1 ZINC000267319795 394676277 /nfs/dbraw/zinc/67/62/77/394676277.db2.gz YTQHYHRDYGFDRI-RYUDHWBXSA-N 1 0 266.776 2.193 10 0 CEAERO CC[C@@H]1CN(Cc2nccn2C(C)C)CC[N@@H+]1CCOC ZINC000105837379 394722953 /nfs/dbraw/zinc/72/29/53/394722953.db2.gz NCVGZGIETXXBMN-OAHLLOKOSA-N 1 0 294.443 2.007 10 0 CEAERO CC[C@H]1CN(C(=O)C2CCCCC2)CC[N@@H+]1CCOC ZINC000117305704 394758837 /nfs/dbraw/zinc/75/88/37/394758837.db2.gz YPAVKHSEJQEGKN-HNNXBMFYSA-N 1 0 282.428 2.136 10 0 CEAERO CC[C@@](C)(O)CN1CC[NH+](C2CCC(C)CC2)CC1 ZINC000123598392 394829241 /nfs/dbraw/zinc/82/92/41/394829241.db2.gz PRKSYVPTLYIMCB-UYSNPLJNSA-N 1 0 268.445 2.344 10 0 CEAERO Cc1nnc([C@@H](C)N2CC[N@@H+]3CCCC[C@H]3C2)s1 ZINC000338273962 394911414 /nfs/dbraw/zinc/91/14/14/394911414.db2.gz HZCKHQJGEZVNAO-PWSUYJOCSA-N 1 0 266.414 2.078 10 0 CEAERO CSCCC[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152181384 394989583 /nfs/dbraw/zinc/98/95/83/394989583.db2.gz AVWWMUTWFJIWGG-CYBMUJFWSA-N 1 0 252.383 2.288 10 0 CEAERO C[C@H]1C[C@@H]([NH2+]CC2C[C@@H](C)O[C@H](C)C2)CN1C1CC1 ZINC000341471978 395002665 /nfs/dbraw/zinc/00/26/65/395002665.db2.gz USDHVFJKAZEVEW-KYEXWDHISA-N 1 0 266.429 2.405 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cc(OC)ccc2F)C1 ZINC000151876243 394979639 /nfs/dbraw/zinc/97/96/39/394979639.db2.gz 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CCS[C@@H](c1nc([C@@H]2C[NH2+]CCN2C)no1)C(C)C ZINC000263245721 154042242 /nfs/dbraw/zinc/04/22/42/154042242.db2.gz PFXDSUWNMRNAIC-WDEREUQCSA-N 1 0 284.429 2.096 10 0 CEAERO Cc1c2ccccc2oc1[C@H](C)NC(=O)C1C[NH2+]C1 ZINC000263311256 154055966 /nfs/dbraw/zinc/05/59/66/154055966.db2.gz PHRQZPTUGYFYBL-JTQLQIEISA-N 1 0 258.321 2.138 10 0 CEAERO CCC[C@@H](C)C[NH2+]C1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263514900 154109208 /nfs/dbraw/zinc/10/92/08/154109208.db2.gz OJKZABNWLIZNBB-LRVUVFPRSA-N 1 0 282.428 2.340 10 0 CEAERO COc1cccc([C@@H](C)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000175653570 286461687 /nfs/dbraw/zinc/46/16/87/286461687.db2.gz VIGWIHMWYUWGIS-CZUORRHYSA-N 1 0 278.396 2.019 10 0 CEAERO CCO[C@H]1C[C@H]([NH2+]CC(O)(CC)CC)C12CCOCC2 ZINC000186297399 286538619 /nfs/dbraw/zinc/53/86/19/286538619.db2.gz DUAJCLAVFVANBP-KBPBESRZSA-N 1 0 285.428 2.101 10 0 CEAERO COCCC[N@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000105874591 292340017 /nfs/dbraw/zinc/34/00/17/292340017.db2.gz OZWMUJOBDOMNDG-AWEZNQCLSA-N 1 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VPSWOVNQWNOEGG-KGLIPLIRSA-N 1 0 284.444 2.414 10 0 CEAERO C[C@H](CCNc1nccnc1N(C)C)[NH+]1CCCCC1 ZINC000302182454 162574608 /nfs/dbraw/zinc/57/46/08/162574608.db2.gz FRWQOAYCWVTUIF-CYBMUJFWSA-N 1 0 277.416 2.219 10 0 CEAERO CN(C)c1ccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000171885527 165049394 /nfs/dbraw/zinc/04/93/94/165049394.db2.gz QJDQZKJYAFIIBE-OAHLLOKOSA-N 1 0 288.395 2.065 10 0 CEAERO CC[C@@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1nccs1 ZINC000172617072 165057751 /nfs/dbraw/zinc/05/77/51/165057751.db2.gz OHCPZQFKYDXQQJ-VXGBXAGGSA-N 1 0 294.424 2.084 10 0 CEAERO CCOCC[N@@H+]1CCN(C(=O)CC2CCC2)C[C@H]1CC ZINC000173519329 165073179 /nfs/dbraw/zinc/07/31/79/165073179.db2.gz MJSYOIJIUYXNFV-OAHLLOKOSA-N 1 0 282.428 2.136 10 0 CEAERO CCCCCC[C@@H](C)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000173792196 165083236 /nfs/dbraw/zinc/08/32/36/165083236.db2.gz FYDMZJAJRBHZFW-HUUCEWRRSA-N 1 0 284.444 2.382 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc(C(C)(C)C)no1 ZINC000175040321 165124037 /nfs/dbraw/zinc/12/40/37/165124037.db2.gz GDVIDVJCONNGTR-QWHCGFSZSA-N 1 0 292.427 2.426 10 0 CEAERO CCOC(=O)CCCC[N@H+](C)C[C@@H]1CCCN1CC ZINC000175337826 165132520 /nfs/dbraw/zinc/13/25/20/165132520.db2.gz PTVLPYSVKQTIFB-AWEZNQCLSA-N 1 0 270.417 2.136 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC(C1CC1)C1CC1 ZINC000177342137 165196061 /nfs/dbraw/zinc/19/60/61/165196061.db2.gz VKYSIAINJQWSQM-AWEZNQCLSA-N 1 0 279.428 2.301 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCCOCC(C)C ZINC000177337799 165196714 /nfs/dbraw/zinc/19/67/14/165196714.db2.gz FXTXYCLHNKROHC-OAHLLOKOSA-N 1 0 299.459 2.175 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCOC1CCCC1 ZINC000177485051 165198199 /nfs/dbraw/zinc/19/81/99/165198199.db2.gz JFICSOUUWMWCCP-CQSZACIVSA-N 1 0 297.443 2.071 10 0 CEAERO CCC1(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CCCC1 ZINC000177638301 165204161 /nfs/dbraw/zinc/20/41/61/165204161.db2.gz PLRUKKDKWDBKHL-CQSZACIVSA-N 1 0 279.428 2.446 10 0 CEAERO Cc1cc(C)c(OCC(=O)N[C@H]2CCC[C@H]2C[NH3+])c(C)c1 ZINC000178152194 165224048 /nfs/dbraw/zinc/22/40/48/165224048.db2.gz NYJQXOPYHSPSNP-GJZGRUSLSA-N 1 0 290.407 2.234 10 0 CEAERO c1cc(C2CC[NH+](Cc3cnn4ccccc34)CC2)n[nH]1 ZINC000179850289 165292071 /nfs/dbraw/zinc/29/20/71/165292071.db2.gz MIQKKAGGMUNEOR-UHFFFAOYSA-N 1 0 281.363 2.437 10 0 CEAERO C[C@H]1C[N@H+](CC2CCC(C)CC2)C[C@H]1N1CCOCC1 ZINC000180236933 165302863 /nfs/dbraw/zinc/30/28/63/165302863.db2.gz FAEWWXOUOJHGCZ-ODZFXCKXSA-N 1 0 280.456 2.465 10 0 CEAERO COc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000180489293 165313291 /nfs/dbraw/zinc/31/32/91/165313291.db2.gz STEQOJKDBFYWIW-DGCLKSJQSA-N 1 0 298.814 2.330 10 0 CEAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCc3ccccc31)CC2 ZINC000180611358 165317617 /nfs/dbraw/zinc/31/76/17/165317617.db2.gz BFJLBDJLOHVWIR-DZGCQCFKSA-N 1 0 282.391 2.432 10 0 CEAERO C[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000182033718 165362891 /nfs/dbraw/zinc/36/28/91/165362891.db2.gz HYZDDSHRHKIBJW-WMZOPIPTSA-N 1 0 288.435 2.272 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)COC(C)(C)C ZINC000183497612 165393309 /nfs/dbraw/zinc/39/33/09/165393309.db2.gz QNWGGDLFPOAZHT-CYBMUJFWSA-N 1 0 270.417 2.038 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N(CC)CC ZINC000246158408 287226346 /nfs/dbraw/zinc/22/63/46/287226346.db2.gz LMPQTVAWGYIGGB-OLZOCXBDSA-N 1 0 253.390 2.007 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1c(C)ccn1C ZINC000251689801 287228328 /nfs/dbraw/zinc/22/83/28/287228328.db2.gz JKBDEHOZUUGRRH-KGLIPLIRSA-N 1 0 275.396 2.032 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1CC1(C)C ZINC000245506310 287228346 /nfs/dbraw/zinc/22/83/46/287228346.db2.gz HAXVUVDQCKYOLJ-FRRDWIJNSA-N 1 0 250.386 2.118 10 0 CEAERO C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)C1CC[NH2+]CC1)C2 ZINC000005914998 170154995 /nfs/dbraw/zinc/15/49/95/170154995.db2.gz WORCPXNHAOZZDZ-CZUORRHYSA-N 1 0 264.413 2.413 10 0 CEAERO C[C@@H]1Cn2c(=O)[nH]c3cccc(c32)C[N@@H+]1CC1CC1 ZINC000006488728 170205635 /nfs/dbraw/zinc/20/56/35/170205635.db2.gz SWKYSCYHMCRSNH-SNVBAGLBSA-N 1 0 257.337 2.356 10 0 CEAERO Cc1ccc(S(=O)(=O)[C@@H](C[NH3+])c2ccccc2)cc1 ZINC000008031122 170315248 /nfs/dbraw/zinc/31/52/48/170315248.db2.gz UNXFZIIZFGYAAQ-HNNXBMFYSA-N 1 0 275.373 2.469 10 0 CEAERO CC[C@H]([NH3+])CS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000011896731 170456831 /nfs/dbraw/zinc/45/68/31/170456831.db2.gz NNABKKMIEJDDNT-LBPRGKRZSA-N 1 0 255.383 2.321 10 0 CEAERO COc1cc(C)c(SC[C@H](O)CC[NH3+])cc1C ZINC000019687117 170840475 /nfs/dbraw/zinc/84/04/75/170840475.db2.gz NOKQNPXBHDERER-LLVKDONJSA-N 1 0 255.383 2.114 10 0 CEAERO COc1ccc(C[C@@H]([NH3+])c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000019842551 170890641 /nfs/dbraw/zinc/89/06/41/170890641.db2.gz FLLZHAPVMBPBFD-CYBMUJFWSA-N 1 0 283.331 2.107 10 0 CEAERO COc1ccccc1CNC[C@H](C(C)C)[NH+](C)C ZINC000020145462 171030825 /nfs/dbraw/zinc/03/08/25/171030825.db2.gz QXGBAVKHGIILGD-CQSZACIVSA-N 1 0 250.386 2.371 10 0 CEAERO Cc1ccc(C[NH3+])cc1S(=O)(=O)Nc1cccc(F)c1 ZINC000020189591 171056106 /nfs/dbraw/zinc/05/61/06/171056106.db2.gz BHNFLMLUPZGDKY-UHFFFAOYSA-N 1 0 294.351 2.394 10 0 CEAERO COc1cc(C[NH2+]C[C@H](CC(C)C)N(C)C)ccc1O ZINC000020201063 171064517 /nfs/dbraw/zinc/06/45/17/171064517.db2.gz NRFMIDXRQQZWLA-AWEZNQCLSA-N 1 0 280.412 2.467 10 0 CEAERO CC(C)CC(=O)N(C)c1ccc(OCC[NH3+])cc1 ZINC000020225072 171087484 /nfs/dbraw/zinc/08/74/84/171087484.db2.gz KBYBKADDIFSHAL-UHFFFAOYSA-N 1 0 250.342 2.033 10 0 CEAERO [NH3+]CCc1ccc(NC(=O)COc2ccccc2)cc1 ZINC000020224422 171087585 /nfs/dbraw/zinc/08/75/85/171087585.db2.gz XBCHZQZALOKPKP-UHFFFAOYSA-N 1 0 270.332 2.205 10 0 CEAERO COc1ccc(OC)c([C@@H](C[NH3+])N(C)CC(C)C)c1 ZINC000020226462 171090844 /nfs/dbraw/zinc/09/08/44/171090844.db2.gz GAPVKNHVFMGMDX-CQSZACIVSA-N 1 0 266.385 2.291 10 0 CEAERO CCCN(C)[C@H](C[NH3+])c1ccc(OC)cc1OC ZINC000020226491 171090944 /nfs/dbraw/zinc/09/09/44/171090944.db2.gz COKXRPOADXVXOD-CYBMUJFWSA-N 1 0 252.358 2.045 10 0 CEAERO Cc1cc(C[NH2+]CC(C)(C)N2CCOCC2)cc(C)c1O ZINC000020305477 171141798 /nfs/dbraw/zinc/14/17/98/171141798.db2.gz QLJPZOVUDADWFI-UHFFFAOYSA-N 1 0 292.423 2.209 10 0 CEAERO CCC(CC)NC(=O)[C@@H](C)NCC[NH+](C(C)C)C(C)C ZINC000020365912 171164601 /nfs/dbraw/zinc/16/46/01/171164601.db2.gz ZUWMERIVZFSHNY-CQSZACIVSA-N 1 0 285.476 2.388 10 0 CEAERO CCCNC(=O)[C@H](C)Oc1ccc([C@@H]([NH3+])CC)cc1 ZINC000020419603 171184507 /nfs/dbraw/zinc/18/45/07/171184507.db2.gz MIGNHZADGGOWCU-FZMZJTMJSA-N 1 0 264.369 2.390 10 0 CEAERO C[C@@H](Oc1cccc([C@H](C)[NH3+])c1)C(=O)N1CCCC1 ZINC000020419793 171184961 /nfs/dbraw/zinc/18/49/61/171184961.db2.gz RQGVQQMFEPVTAZ-NWDGAFQWSA-N 1 0 262.353 2.096 10 0 CEAERO CCCCNC(=O)[C@@H](C)Oc1cccc([C@@H](C)[NH3+])c1 ZINC000020419758 171185348 /nfs/dbraw/zinc/18/53/48/171185348.db2.gz KGEDUTSNTDIHLM-VXGBXAGGSA-N 1 0 264.369 2.390 10 0 CEAERO CCCCCCO[C@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000020512610 171230866 /nfs/dbraw/zinc/23/08/66/171230866.db2.gz SQQZYKGKMVAMFC-STQMWFEESA-N 1 0 257.374 2.206 10 0 CEAERO O=C(NCc1ccc(F)cc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000020564003 171253152 /nfs/dbraw/zinc/25/31/52/171253152.db2.gz LONNHHFLWNQJFL-HNNXBMFYSA-N 1 0 291.370 2.205 10 0 CEAERO C[C@H]1CN(Cc2c[nH]c(-c3ccccc3)n2)CC[N@@H+]1C ZINC000020992424 171283646 /nfs/dbraw/zinc/28/36/46/171283646.db2.gz MZZQMNURTKQAOR-ZDUSSCGKSA-N 1 0 270.380 2.213 10 0 CEAERO Brc1ccc(N[C@@H]2C[NH+]3CCC2CC3)nc1 ZINC000021011728 171287125 /nfs/dbraw/zinc/28/71/25/171287125.db2.gz PMRWTRRKMBLJOB-LLVKDONJSA-N 1 0 282.185 2.350 10 0 CEAERO CN(C)CC[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000021959094 171342214 /nfs/dbraw/zinc/34/22/14/171342214.db2.gz PJEADTKIQFYDCW-UHFFFAOYSA-N 1 0 262.275 2.236 10 0 CEAERO CC(C)[NH2+]C[C@@H](O)COc1cccc2ccc(O)cc21 ZINC000022061133 171351524 /nfs/dbraw/zinc/35/15/24/171351524.db2.gz ZAVISZICVBECEV-CQSZACIVSA-N 1 0 275.348 2.283 10 0 in-vitro CEAERO [NH3+]Cc1ccccc1CS(=O)(=O)Nc1ccccc1 ZINC000022148040 171357117 /nfs/dbraw/zinc/35/71/17/171357117.db2.gz RAYYGIKKUCHYKX-UHFFFAOYSA-N 1 0 276.361 2.087 10 0 CEAERO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c(N)c1 ZINC000022154576 171361098 /nfs/dbraw/zinc/36/10/98/171361098.db2.gz SJMBQEFRUYNBCT-NWDGAFQWSA-N 1 0 291.395 2.479 10 0 CEAERO COc1ccc(N)cc1NC(=O)CC[N@@H+]1CCC[C@@H](C)C1 ZINC000022164582 171365417 /nfs/dbraw/zinc/36/54/17/171365417.db2.gz WKXQWZIVVXLOMU-GFCCVEGCSA-N 1 0 291.395 2.338 10 0 CEAERO COc1ccc(OCC(=O)Nc2ccc(C[NH3+])cc2)cc1 ZINC000022167124 171366171 /nfs/dbraw/zinc/36/61/71/171366171.db2.gz FWRCQVMRMLRXLW-UHFFFAOYSA-N 1 0 286.331 2.171 10 0 CEAERO [NH3+]Cc1cccc(NC(=O)COc2cccc(F)c2)c1 ZINC000022171841 171368134 /nfs/dbraw/zinc/36/81/34/171368134.db2.gz UIJYYSDDEQRPHX-UHFFFAOYSA-N 1 0 274.295 2.302 10 0 CEAERO [NH3+]Cc1ccccc1OCC(=O)Nc1ccc(F)c(F)c1 ZINC000022213886 171374998 /nfs/dbraw/zinc/37/49/98/171374998.db2.gz ACGJPAUCYXSOJI-UHFFFAOYSA-N 1 0 292.285 2.441 10 0 CEAERO C[C@@H]1CN([C@@H](C[NH3+])c2cccc(Cl)c2)CCO1 ZINC000022218640 171376834 /nfs/dbraw/zinc/37/68/34/171376834.db2.gz VWZSQHHQNAMTMK-MFKMUULPSA-N 1 0 254.761 2.061 10 0 CEAERO C[C@H]1CCC[C@H](C)[NH+]1CC(=O)Nc1cccc(N)c1 ZINC000022221794 171378401 /nfs/dbraw/zinc/37/84/01/171378401.db2.gz YUMMHXZZQDRBQA-RYUDHWBXSA-N 1 0 261.369 2.470 10 0 CEAERO Cc1ccc(O[C@H]2CC3(CC[C@H]2[NH3+])OCCO3)c(C)c1 ZINC000023067874 171408581 /nfs/dbraw/zinc/40/85/81/171408581.db2.gz GORUZHHVVLWMQF-HIFRSBDPSA-N 1 0 277.364 2.305 10 0 CEAERO CC(C)[C@@H]([NH3+])[C@H](O)c1ccc(Br)cc1 ZINC000032110488 171702682 /nfs/dbraw/zinc/70/26/82/171702682.db2.gz HBRKNWJVJLWSDD-GHMZBOCLSA-N 1 0 258.159 2.466 10 0 CEAERO CCOc1ccc(OC[C@H](O)C[NH2+]CC(C)C)cc1 ZINC000032115335 171708879 /nfs/dbraw/zinc/70/88/79/171708879.db2.gz MRTHERSMMBUUMC-CYBMUJFWSA-N 1 0 267.369 2.071 10 0 CEAERO CN1c2ccc([C@@H]([NH3+])Cc3ccccc3)cc2CC1=O ZINC000034940689 171900351 /nfs/dbraw/zinc/90/03/51/171900351.db2.gz AXSVWNUCZJRYPJ-HNNXBMFYSA-N 1 0 266.344 2.448 10 0 CEAERO C[C@@H]([NH2+]Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C1CC1 ZINC000035140751 172008294 /nfs/dbraw/zinc/00/82/94/172008294.db2.gz NRUZZHRLEBERRB-MRVPVSSYSA-N 1 0 277.755 2.465 10 0 CEAERO CN(C)CC[NH2+]CC(=O)Nc1c(Cl)cccc1Cl ZINC000035154812 172017174 /nfs/dbraw/zinc/01/71/74/172017174.db2.gz UHFKDBNLJMYHHI-UHFFFAOYSA-N 1 0 290.194 2.083 10 0 CEAERO Fc1cccc(C[NH2+][C@@H]2CN3CCC2CC3)c1F ZINC000035223671 172067892 /nfs/dbraw/zinc/06/78/92/172067892.db2.gz XYLAGPINSRUZML-CYBMUJFWSA-N 1 0 252.308 2.149 10 0 CEAERO COc1cccc(CO)c1OCC[NH+]1CCCCC1 ZINC000035413129 172185409 /nfs/dbraw/zinc/18/54/09/172185409.db2.gz OJGUZVSSOBIDFY-UHFFFAOYSA-N 1 0 265.353 2.052 10 0 CEAERO c1cn2c(C[NH2+]C3CC3)c(N3CCCC3)nc2s1 ZINC000035429553 172197426 /nfs/dbraw/zinc/19/74/26/172197426.db2.gz ZJYGXYMQQDCRSX-UHFFFAOYSA-N 1 0 262.382 2.248 10 0 CEAERO C[NH2+][C@@H](c1ccco1)c1ccc2c(c1)CCC(=O)N2 ZINC000035490316 172224649 /nfs/dbraw/zinc/22/46/49/172224649.db2.gz NUNXAFPBNDXQHD-OAHLLOKOSA-N 1 0 256.305 2.473 10 0 CEAERO C[C@@H](O)c1ccc(N(C)C2CC[NH+](C)CC2)c(F)c1 ZINC000035631322 172313762 /nfs/dbraw/zinc/31/37/62/172313762.db2.gz BMMBCGANRLFSAL-LLVKDONJSA-N 1 0 266.360 2.409 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(NC(=O)COCC)cc1 ZINC000035635047 172319630 /nfs/dbraw/zinc/31/96/30/172319630.db2.gz UZUJOORMGJCQLB-LLVKDONJSA-N 1 0 250.342 2.332 10 0 CEAERO CC[NH2+][C@@H](C)c1ccccc1NC(=O)[C@H]1CCCO1 ZINC000035643807 172321597 /nfs/dbraw/zinc/32/15/97/172321597.db2.gz CDDCYFRYTPSEHT-SMDDNHRTSA-N 1 0 262.353 2.475 10 0 CEAERO CC[C@@H]([NH3+])c1ccccc1OCc1nnc(C)n1C ZINC000035696544 172364733 /nfs/dbraw/zinc/36/47/33/172364733.db2.gz UMBBVIXZJUZISZ-GFCCVEGCSA-N 1 0 260.341 2.112 10 0 CEAERO CN(Cc1cccs1)C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000035717452 172370901 /nfs/dbraw/zinc/37/09/01/172370901.db2.gz OOCUYQNUIPXVKU-ZDUSSCGKSA-N 1 0 260.362 2.407 10 0 CEAERO CC(C)[NH2+][C@@H]1CCCS(=O)(=O)c2ccccc21 ZINC000035760536 172398826 /nfs/dbraw/zinc/39/88/26/172398826.db2.gz BBHSDXHXNVMCJZ-GFCCVEGCSA-N 1 0 253.367 2.293 10 0 CEAERO CC[NH2+][C@@H]1c2cc(Cl)ccc2S(=O)(=O)C[C@@H]1C ZINC000035760906 172399508 /nfs/dbraw/zinc/39/95/08/172399508.db2.gz CFGLDJRGASSOOT-UFBFGSQYSA-N 1 0 273.785 2.414 10 0 CEAERO C[NH2+][C@@H]1C[C@@H](C)S(=O)(=O)c2c(Cl)cccc21 ZINC000035761328 172399685 /nfs/dbraw/zinc/39/96/85/172399685.db2.gz KQBXHCFEBUBTIL-GMSGAONNSA-N 1 0 259.758 2.166 10 0 CEAERO Cc1ccc(CC(=O)NCc2cccc(C[NH3+])c2)cc1 ZINC000036202230 172515084 /nfs/dbraw/zinc/51/50/84/172515084.db2.gz PHKOOFIITXNDOE-UHFFFAOYSA-N 1 0 268.360 2.313 10 0 CEAERO CC(C)CC(=O)N(CC(F)(F)F)C1CC[NH2+]CC1 ZINC000036286425 172581803 /nfs/dbraw/zinc/58/18/03/172581803.db2.gz XWOFNMPTUBCCQS-UHFFFAOYSA-N 1 0 266.307 2.175 10 0 CEAERO [NH3+]CCc1cc(Br)c2c(c1)OCCCO2 ZINC000036903312 172792850 /nfs/dbraw/zinc/79/28/50/172792850.db2.gz ZTZSQTFEPMYACU-UHFFFAOYSA-N 1 0 272.142 2.112 10 0 CEAERO CCC[C@]1([NH2+]C[C@H](O)COCc2ccccc2)CCOC1 ZINC000285585056 196334274 /nfs/dbraw/zinc/33/42/74/196334274.db2.gz OPGTUUZGBMITTC-IRXDYDNUSA-N 1 0 293.407 2.113 10 0 CEAERO C[N@H+](CCC(=O)Nc1cccc(N)c1)[C@H]1CCSC1 ZINC000037174213 173008607 /nfs/dbraw/zinc/00/86/07/173008607.db2.gz OGZGPPOGDYZRBB-ZDUSSCGKSA-N 1 0 279.409 2.035 10 0 CEAERO CC[C@H]1COCCN1[C@@H](C[NH3+])c1ccc(C)c(C)c1 ZINC000037180183 173012682 /nfs/dbraw/zinc/01/26/82/173012682.db2.gz ALCIAIOAADTRPG-HOTGVXAUSA-N 1 0 262.397 2.414 10 0 CEAERO CC[NH+](CC)CCNCc1c(C)nc2sccn12 ZINC000037201990 173025838 /nfs/dbraw/zinc/02/58/38/173025838.db2.gz PLMQOOHPZPENTH-UHFFFAOYSA-N 1 0 266.414 2.136 10 0 CEAERO CC(=O)NCC[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000037235684 173053508 /nfs/dbraw/zinc/05/35/08/173053508.db2.gz OTRZMMMVKQTFSY-MRVPVSSYSA-N 1 0 258.724 2.266 10 0 CEAERO C[C@@H]([NH2+][C@H](c1cccs1)C1CCCC1)C(N)=O ZINC000037261547 173071171 /nfs/dbraw/zinc/07/11/71/173071171.db2.gz WBMOCFHIIBOUPT-SKDRFNHKSA-N 1 0 252.383 2.443 10 0 CEAERO COC1CCN([C@@H](C[NH3+])c2ccc(C)s2)CC1 ZINC000037265912 173074536 /nfs/dbraw/zinc/07/45/36/173074536.db2.gz UGKCVNBENYGZTO-LBPRGKRZSA-N 1 0 254.399 2.167 10 0 CEAERO COc1ccc(C)cc1[C@H](C)[NH2+]C1CCN(C(N)=O)CC1 ZINC000037280999 173089233 /nfs/dbraw/zinc/08/92/33/173089233.db2.gz PMQRXKBCURNLJJ-LBPRGKRZSA-N 1 0 291.395 2.197 10 0 CEAERO CCN(CCC[NH3+])C(=O)c1cccc(OC(F)F)c1 ZINC000037298773 173103623 /nfs/dbraw/zinc/10/36/23/173103623.db2.gz DGASRWYKTSGXKF-UHFFFAOYSA-N 1 0 272.295 2.099 10 0 CEAERO CCN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1scnc1C ZINC000037315831 173116590 /nfs/dbraw/zinc/11/65/90/173116590.db2.gz JCMKMPCUSZTCTJ-MNOVXSKESA-N 1 0 269.414 2.359 10 0 CEAERO COC(=O)c1cc(CN[C@H](CC(C)C)C[NH+](C)C)oc1C ZINC000037321654 173122036 /nfs/dbraw/zinc/12/20/36/173122036.db2.gz ZVTSVKVAZWRLFM-CYBMUJFWSA-N 1 0 296.411 2.441 10 0 CEAERO Cc1nc2ccccn2c1C[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000037321078 173122349 /nfs/dbraw/zinc/12/23/49/173122349.db2.gz GAPYMROZVDRBAQ-CHWSQXEVSA-N 1 0 259.353 2.036 10 0 CEAERO O[C@@H](c1cc2c(cc1Cl)OCCO2)[C@H]1CCC[NH2+]C1 ZINC000037332261 173133274 /nfs/dbraw/zinc/13/32/74/173133274.db2.gz WTYGRRJRZAZACV-LKFCYVNXSA-N 1 0 283.755 2.144 10 0 CEAERO Cc1ccccc1C(=O)CN1CCC([NH+](C)C)CC1 ZINC000037339776 173141479 /nfs/dbraw/zinc/14/14/79/173141479.db2.gz ZYECMNQLRSTLJX-UHFFFAOYSA-N 1 0 260.381 2.204 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000037386236 173169002 /nfs/dbraw/zinc/16/90/02/173169002.db2.gz XWYRNAFYDHTLOD-QMMMGPOBSA-N 1 0 286.278 2.335 10 0 CEAERO CCCNC(=O)c1ccccc1NC(=O)C[NH2+][C@H](C)CC ZINC000037394608 173175233 /nfs/dbraw/zinc/17/52/33/173175233.db2.gz AWNALZCFTDFBNJ-GFCCVEGCSA-N 1 0 291.395 2.153 10 0 CEAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000037396892 173176651 /nfs/dbraw/zinc/17/66/51/173176651.db2.gz YRKBMODOFQZRAS-UHFFFAOYSA-N 1 0 284.425 2.217 10 0 CEAERO COC(=O)CCC[NH2+]Cc1c(C)nc2scc(C)n12 ZINC000037416412 173193449 /nfs/dbraw/zinc/19/34/49/173193449.db2.gz XGPBHTCJBIGTNV-UHFFFAOYSA-N 1 0 281.381 2.055 10 0 CEAERO CC(C)[NH2+][C@](C)(C(N)=O)c1ccccc1C(F)(F)F ZINC000037446554 173213509 /nfs/dbraw/zinc/21/35/09/173213509.db2.gz IFIAOSYKXKGSOZ-LBPRGKRZSA-N 1 0 274.286 2.404 10 0 CEAERO [NH3+][C@@H]1CCN(c2ccc(F)cc2Br)C1 ZINC000037483535 173228843 /nfs/dbraw/zinc/22/88/43/173228843.db2.gz VMMZFSXDJULWTD-MRVPVSSYSA-N 1 0 259.122 2.126 10 0 CEAERO COc1cccc([C@@H](C[NH2+][C@H]2CCCC[C@@H]2O)N(C)C)c1 ZINC000037490940 173232567 /nfs/dbraw/zinc/23/25/67/173232567.db2.gz FIUZDKLIPQQODD-BBWFWOEESA-N 1 0 292.423 2.191 10 0 CEAERO CN(C(=O)C12CC3CC(CC(C3)C1)C2)[C@H]1CCC[NH2+]C1 ZINC000037540989 173262695 /nfs/dbraw/zinc/26/26/95/173262695.db2.gz NXTOSWRXGOYRDO-RDVIWEACSA-N 1 0 276.424 2.413 10 0 CEAERO C[N@@H+]1CCCC[C@@H]1CC[NH2+]C1CCC(C(=O)[O-])CC1 ZINC000037561977 173272618 /nfs/dbraw/zinc/27/26/18/173272618.db2.gz BSXHSVDSUKWBCK-JXQTWKCFSA-N 1 0 268.401 2.094 10 0 CEAERO COc1cc([C@H](C)[NH3+])ccc1O[C@H]1CCC[C@@H]1O ZINC000037698353 173622268 /nfs/dbraw/zinc/62/22/68/173622268.db2.gz YJTPVVKTOXCUHZ-DLOVCJGASA-N 1 0 251.326 2.007 10 0 CEAERO COc1cccc(CC[NH3+])c1OCc1cc(C)no1 ZINC000037721651 173639706 /nfs/dbraw/zinc/63/97/06/173639706.db2.gz LPORRFDOEVSXME-UHFFFAOYSA-N 1 0 262.309 2.072 10 0 CEAERO C[C@H]([NH3+])Cc1cc(Cl)cc(Cl)c1O[C@@H](C)C(N)=O ZINC000037728984 173648623 /nfs/dbraw/zinc/64/86/23/173648623.db2.gz OJNYOJRKLSDSGU-BQBZGAKWSA-N 1 0 291.178 2.136 10 0 CEAERO COCCCOc1c(Cl)cc(CC[NH3+])cc1OC ZINC000037754263 173677986 /nfs/dbraw/zinc/67/79/86/173677986.db2.gz WUUBRQCOSBVFPQ-UHFFFAOYSA-N 1 0 273.760 2.265 10 0 CEAERO CCOc1ccc(Cl)cc1NC(=O)[C@H]1CCC[NH2+]1 ZINC000037768681 173698638 /nfs/dbraw/zinc/69/86/38/173698638.db2.gz IWEKMZVAVVPYTH-SNVBAGLBSA-N 1 0 268.744 2.429 10 0 CEAERO CCOc1cccc(NC(=O)C[NH2+][C@@H](C)CC)c1 ZINC000037768498 173698719 /nfs/dbraw/zinc/69/87/19/173698719.db2.gz ZXCUFVDVLRGCHZ-NSHDSACASA-N 1 0 250.342 2.412 10 0 CEAERO COc1ccccc1[C@H](C)N(C)C(=O)[C@@H]([NH3+])C(C)C ZINC000037808291 173751076 /nfs/dbraw/zinc/75/10/76/173751076.db2.gz SAPHHVRNQTVBPS-FZMZJTMJSA-N 1 0 264.369 2.198 10 0 CEAERO CC(C)[NH2+]Cc1cccc(OCCC(=O)N(C)C)c1 ZINC000037897631 173825925 /nfs/dbraw/zinc/82/59/25/173825925.db2.gz NJPFWDLORSKLRV-UHFFFAOYSA-N 1 0 264.369 2.042 10 0 CEAERO CC(C)COC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000038033095 174029915 /nfs/dbraw/zinc/02/99/15/174029915.db2.gz GDHKPKLLUZUNHZ-UHFFFAOYSA-N 1 0 250.342 2.240 10 0 CEAERO Cc1ccc(C(=O)N(CC[NH3+])Cc2ccccc2)cc1O ZINC000038033042 174030033 /nfs/dbraw/zinc/03/00/33/174030033.db2.gz GSDKYQMVTXHNPW-UHFFFAOYSA-N 1 0 284.359 2.302 10 0 CEAERO CCC[C@@H](C)NC(=O)[C@@H](C)N(CC[NH3+])Cc1ccccc1 ZINC000038033204 174030734 /nfs/dbraw/zinc/03/07/34/174030734.db2.gz DZFQMNJKTKUJFT-HUUCEWRRSA-N 1 0 291.439 2.141 10 0 CEAERO CCCOc1cccc(C[NH2+][C@]2(C)CCS(=O)(=O)C2)c1 ZINC000038038298 174038605 /nfs/dbraw/zinc/03/86/05/174038605.db2.gz OIAQBCHGOUEBQM-OAHLLOKOSA-N 1 0 297.420 2.142 10 0 CEAERO Nc1cc(F)c(N[C@@H]2C[NH+]3CCC2CC3)c(F)c1 ZINC000038039916 174039647 /nfs/dbraw/zinc/03/96/47/174039647.db2.gz PHTCRXKVVALBHG-GFCCVEGCSA-N 1 0 253.296 2.053 10 0 CEAERO C[C@@H](CNC(=O)c1cc(F)ccc1N)C[NH+]1CCCCC1 ZINC000038042200 174045261 /nfs/dbraw/zinc/04/52/61/174045261.db2.gz BCWWJZDBHCRTHL-LBPRGKRZSA-N 1 0 293.386 2.260 10 0 CEAERO CC(C)CC[C@H](C)NC(=O)[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000038043218 174050139 /nfs/dbraw/zinc/05/01/39/174050139.db2.gz AXLXPCUGOCQEBS-HOCLYGCPSA-N 1 0 295.471 2.144 10 0 CEAERO c1ccc(Cc2noc(C[NH2+]C[C@H]3CCCOC3)n2)cc1 ZINC000038045631 174053753 /nfs/dbraw/zinc/05/37/53/174053753.db2.gz MAEFPESBQXFTCX-CQSZACIVSA-N 1 0 287.363 2.177 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](O)c1ccc(OC)c(Br)c1 ZINC000038052385 174063937 /nfs/dbraw/zinc/06/39/37/174063937.db2.gz KPSYGMVTABJMRF-KOLCDFICSA-N 1 0 274.158 2.228 10 0 CEAERO [NH3+]Cc1ccc(-n2cc(Br)cn2)cc1 ZINC000038053993 174065571 /nfs/dbraw/zinc/06/55/71/174065571.db2.gz YNHDFWYXWGBNFP-UHFFFAOYSA-N 1 0 252.115 2.094 10 0 CEAERO CC[C@@H](C)[NH2+][C@@H](C(N)=O)c1ccc(OC(C)C)cc1 ZINC000038065144 174076331 /nfs/dbraw/zinc/07/63/31/174076331.db2.gz ZIHIMHYSSUIQGW-BXUZGUMPSA-N 1 0 264.369 2.388 10 0 CEAERO CC[C@H](C)[NH2+][C@@](C)(C(N)=O)c1ccc(Cl)cc1 ZINC000038065643 174076919 /nfs/dbraw/zinc/07/69/19/174076919.db2.gz RXMDODWMIRMXEH-TVQRCGJNSA-N 1 0 254.761 2.429 10 0 CEAERO C[C@H]1c2ccsc2CCN1C(=O)[C@@](C)([NH3+])C1CC1 ZINC000038100932 174116486 /nfs/dbraw/zinc/11/64/86/174116486.db2.gz XCZBAWWPPJUPSK-XPTSAGLGSA-N 1 0 264.394 2.321 10 0 CEAERO [NH3+]C[C@H](c1ccc2c(c1)OCO2)N1CCCCCC1 ZINC000039174835 174164934 /nfs/dbraw/zinc/16/49/34/174164934.db2.gz HTLDBHWSJKUGOK-CYBMUJFWSA-N 1 0 262.353 2.291 10 0 CEAERO C[NH2+]C[C@H](c1ccc(OC)cc1OC)N1CCCC1 ZINC000039795626 174173061 /nfs/dbraw/zinc/17/30/61/174173061.db2.gz OMLVNSNWCGLEAJ-CQSZACIVSA-N 1 0 264.369 2.060 10 0 CEAERO COc1cccc(-c2nc(C[NH3+])cs2)c1OC ZINC000040419377 174256725 /nfs/dbraw/zinc/25/67/25/174256725.db2.gz DJHPONLLSAQREZ-UHFFFAOYSA-N 1 0 250.323 2.286 10 0 CEAERO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC[C@H]1c1cccnc1 ZINC000040487159 174289427 /nfs/dbraw/zinc/28/94/27/174289427.db2.gz RBPLHJKCJXAQGU-XBFCOCLRSA-N 1 0 261.369 2.119 10 0 CEAERO Cc1ncsc1CCOC[C@@H](O)C[NH2+]CC(C)(C)C ZINC000040493221 174292863 /nfs/dbraw/zinc/29/28/63/174292863.db2.gz WFORHYBBHFLJAK-LBPRGKRZSA-N 1 0 286.441 2.007 10 0 CEAERO CC(C)(C)CNS(=O)(=O)c1ccc(C[NH2+]C2CC2)cc1 ZINC000040495068 174293850 /nfs/dbraw/zinc/29/38/50/174293850.db2.gz CHUCGXNGIJUIRZ-UHFFFAOYSA-N 1 0 296.436 2.263 10 0 CEAERO C[NH2+][C@@H](C)c1cccc(S(=O)(=O)NCC(C)(C)C)c1 ZINC000040495030 174294003 /nfs/dbraw/zinc/29/40/03/174294003.db2.gz JTLVQJAJKYRFDX-NSHDSACASA-N 1 0 284.425 2.291 10 0 CEAERO CCOC(=O)CC[NH2+][C@@H](C)COc1ccc(C)cc1 ZINC000040499866 174296593 /nfs/dbraw/zinc/29/65/93/174296593.db2.gz MKNQCMWANJVHGG-ZDUSSCGKSA-N 1 0 265.353 2.305 10 0 CEAERO CCN1CCC[C@H]([NH2+]Cc2cc(OC)ccc2OC)C1 ZINC000040502367 174298747 /nfs/dbraw/zinc/29/87/47/174298747.db2.gz ARAOJCWBVGFWND-AWEZNQCLSA-N 1 0 278.396 2.278 10 0 CEAERO Cc1nc(C)c([C@H](C)NC(=O)[C@H]2CCCC[NH2+]2)s1 ZINC000040519025 174308549 /nfs/dbraw/zinc/30/85/49/174308549.db2.gz DVLIPFQVCCXSEA-GXSJLCMTSA-N 1 0 267.398 2.079 10 0 CEAERO CCCC[C@H]([NH3+])C(=O)N[C@H](C)c1sc(C)nc1C ZINC000040519132 174308712 /nfs/dbraw/zinc/30/87/12/174308712.db2.gz HGHOVURMLSKXOO-KOLCDFICSA-N 1 0 269.414 2.455 10 0 CEAERO C[NH+](C)CCOc1c(Br)cccc1C=O ZINC000040541785 174322725 /nfs/dbraw/zinc/32/27/25/174322725.db2.gz XGUFAHCKBUZSAF-UHFFFAOYSA-N 1 0 272.142 2.202 10 0 CEAERO CC[NH+](CC)[C@@H](CNC(=O)N(C)C)c1ccc(OC)cc1 ZINC000040614929 174353671 /nfs/dbraw/zinc/35/36/71/174353671.db2.gz XMLMZCZRKIZIPU-HNNXBMFYSA-N 1 0 293.411 2.349 10 0 CEAERO CCC(C)(C)C1CCC(NC(=O)[C@@H]2C[C@H](OC)C[NH2+]2)CC1 ZINC000040632677 174358766 /nfs/dbraw/zinc/35/87/66/174358766.db2.gz VPFIOEPRGOMXTJ-WUCCLRPBSA-N 1 0 296.455 2.475 10 0 CEAERO CO[C@@H]1C[NH2+][C@H](C(=O)N2CCC[C@@H]2c2ccccc2C)C1 ZINC000040636063 174361352 /nfs/dbraw/zinc/36/13/52/174361352.db2.gz IOCIISUOMVUPAT-CWRNSKLLSA-N 1 0 288.391 2.035 10 0 CEAERO Cn1ccnc1CC[NH2+]Cc1cc2ccccc2o1 ZINC000040638911 174363023 /nfs/dbraw/zinc/36/30/23/174363023.db2.gz VXNUHYZTOMLKGV-UHFFFAOYSA-N 1 0 255.321 2.499 10 0 CEAERO COc1ccc([C@H](C)[NH2+]CCc2nccn2C)cc1OC ZINC000040638842 174363072 /nfs/dbraw/zinc/36/30/72/174363072.db2.gz QDAKBVDMOFYJHG-LBPRGKRZSA-N 1 0 289.379 2.331 10 0 CEAERO CSc1ccc(C[NH2+]CCc2nccn2C)cc1 ZINC000040638921 174363124 /nfs/dbraw/zinc/36/31/24/174363124.db2.gz ZMNOXSAIVUIKPW-UHFFFAOYSA-N 1 0 261.394 2.474 10 0 CEAERO C[C@@H]([NH2+][C@@H]1CCN(CCc2ccccc2)C1)[C@@H]1CCCO1 ZINC000040671325 174369380 /nfs/dbraw/zinc/36/93/80/174369380.db2.gz WKOVEQUDVDDMAM-NXHRZFHOSA-N 1 0 288.435 2.461 10 0 CEAERO CCOC1CCN([C@]2(C[NH3+])CCc3ccccc3C2)CC1 ZINC000040678599 174374754 /nfs/dbraw/zinc/37/47/54/174374754.db2.gz YBULYOLKYBRXDH-GOSISDBHSA-N 1 0 288.435 2.374 10 0 CEAERO CCOC1CC[NH+](Cc2cccc(C(N)=S)c2)CC1 ZINC000040689465 174376276 /nfs/dbraw/zinc/37/62/76/174376276.db2.gz NTKACHQRKOJPNQ-UHFFFAOYSA-N 1 0 278.421 2.322 10 0 CEAERO CCn1c2c(cccc2Cl)nc1[C@@H]([NH3+])CCO ZINC000040710379 174380629 /nfs/dbraw/zinc/38/06/29/174380629.db2.gz XXXMFFILYOPMTK-VIFPVBQESA-N 1 0 253.733 2.092 10 0 CEAERO NC(=[NH2+])c1cccc(COc2ccc(CO)cc2)c1 ZINC000040711133 174381155 /nfs/dbraw/zinc/38/11/55/174381155.db2.gz QYLOQTLHZNTDKK-UHFFFAOYSA-N 1 0 256.305 2.042 10 0 CEAERO Cc1cc(C)c(C(N)=[NH2+])c(Oc2ccc(CO)cc2)n1 ZINC000040711126 174381375 /nfs/dbraw/zinc/38/13/75/174381375.db2.gz WYSFIYKWJMLPFN-UHFFFAOYSA-N 1 0 271.320 2.267 10 0 CEAERO C[C@H]1CCN([C@@H](C[NH3+])c2ccc3c(c2)OCCCO3)C1 ZINC000040717127 174384236 /nfs/dbraw/zinc/38/42/36/174384236.db2.gz OMIRXWRNEZQJKC-JSGCOSHPSA-N 1 0 276.380 2.190 10 0 CEAERO COc1cc(N)ccc1NC(=O)CCC[N@@H+]1CC[C@H](C)C1 ZINC000040716883 174384244 /nfs/dbraw/zinc/38/42/44/174384244.db2.gz VWOTVVNSMZDVTP-LBPRGKRZSA-N 1 0 291.395 2.338 10 0 CEAERO C[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c(N)c2)C1 ZINC000040716795 174384251 /nfs/dbraw/zinc/38/42/51/174384251.db2.gz CZABHMSNTHOEMO-VIFPVBQESA-N 1 0 267.760 2.203 10 0 CEAERO CCc1c(C)nn(-c2nc(C)cc(C)c2C(N)=[NH2+])c1C ZINC000040732770 174388727 /nfs/dbraw/zinc/38/87/27/174388727.db2.gz FPBZBTUAIMHQEG-UHFFFAOYSA-N 1 0 271.368 2.347 10 0 CEAERO O=C(Nc1ccc(F)cc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040740870 174390872 /nfs/dbraw/zinc/39/08/72/174390872.db2.gz GBRXRDCXGLPJFL-FUNVUKJBSA-N 1 0 263.316 2.230 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000040749727 174394389 /nfs/dbraw/zinc/39/43/89/174394389.db2.gz CNBQSKZRSNMQDE-IEESLHIDSA-N 1 0 288.178 2.416 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1cc(-c2ccco2)on1 ZINC000040749980 174395064 /nfs/dbraw/zinc/39/50/64/174395064.db2.gz VRAMIYCFTVLLKS-VGPLMAKISA-N 1 0 273.336 2.389 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2CCOc1ccccc1F ZINC000040750073 174395184 /nfs/dbraw/zinc/39/51/84/174395184.db2.gz KTZLSXREAQDOFS-YHWZYXNKSA-N 1 0 264.344 2.159 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1nnc(-c2ccccc2)o1 ZINC000040750143 174395378 /nfs/dbraw/zinc/39/53/78/174395378.db2.gz SWGAPUOWNGYESX-AGUYFDCRSA-N 1 0 284.363 2.191 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2c1ncnc2ccsc21 ZINC000040750555 174395656 /nfs/dbraw/zinc/39/56/56/174395656.db2.gz NKSRQBYWEDEAMM-PBINXNQUSA-N 1 0 260.366 2.150 10 0 CEAERO Cc1sc(C(=O)NCC[NH+]2CCCCCC2)cc1N ZINC000040766993 174398098 /nfs/dbraw/zinc/39/80/98/174398098.db2.gz AGFZGEOXOMKGRV-UHFFFAOYSA-N 1 0 281.425 2.245 10 0 CEAERO Cc1cccc(C(=O)NCC[NH+]2CCCCCC2)c1N ZINC000040766870 174398479 /nfs/dbraw/zinc/39/84/79/174398479.db2.gz CCQCQMBTJLXWTI-UHFFFAOYSA-N 1 0 275.396 2.183 10 0 CEAERO COc1ccc(C[C@H](C)[NH3+])c(OCc2cc(C)no2)c1 ZINC000040905131 174430658 /nfs/dbraw/zinc/43/06/58/174430658.db2.gz XFXPHQGCSSWUEG-JTQLQIEISA-N 1 0 276.336 2.460 10 0 CEAERO COc1ccc([C@H](C)N[C@@H]2C[NH2+]C[C@H](C)C2)cc1OC ZINC000401793437 414754115 /nfs/dbraw/zinc/75/41/15/414754115.db2.gz DDEKQYJBSPNSRD-DYEKYZERSA-N 1 0 278.396 2.352 10 0 CEAERO C[C@@H]1CC[C@@H](NC(=O)C2CCC([NH3+])CC2)[C@H](C)C1 ZINC000070114757 414765518 /nfs/dbraw/zinc/76/55/18/414765518.db2.gz WQRTWGDBVQMJSY-KPHYFBGPSA-N 1 0 252.402 2.445 10 0 CEAERO CCOc1cncc(NCc2ccc(C[NH3+])cc2F)n1 ZINC000071175904 414773880 /nfs/dbraw/zinc/77/38/80/414773880.db2.gz UCXZCDUFZRWAKT-UHFFFAOYSA-N 1 0 276.315 2.085 10 0 CEAERO Fc1ccc(CN2CC[C@@H]3OCC[NH2+][C@@H]3C2)cc1Cl ZINC000404253515 414779698 /nfs/dbraw/zinc/77/96/98/414779698.db2.gz KNJNNGNZBPWBBA-KGLIPLIRSA-N 1 0 284.762 2.042 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1N1C(=O)CC2(CCCCCC2)C1=O ZINC000041158212 174500982 /nfs/dbraw/zinc/50/09/82/174500982.db2.gz DELPZIMMRAFVPO-OLZOCXBDSA-N 1 0 278.396 2.356 10 0 CEAERO CC(C)N(CC[NH3+])C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000041160479 174502499 /nfs/dbraw/zinc/50/24/99/174502499.db2.gz PHYRMHDIXURVML-UHFFFAOYSA-N 1 0 279.428 2.334 10 0 CEAERO [NH3+]CC[C@H](O)CCOc1cc(Cl)ccc1Cl ZINC000041357916 174535709 /nfs/dbraw/zinc/53/57/09/174535709.db2.gz OONJLQVETLMTJG-VIFPVBQESA-N 1 0 264.152 2.472 10 0 CEAERO Cc1cccc(C(=O)N(C)[C@H](C[NH3+])C(F)(F)F)c1C ZINC000662975853 414815627 /nfs/dbraw/zinc/81/56/27/414815627.db2.gz KNCQLFMZJSDWMQ-LLVKDONJSA-N 1 0 274.286 2.265 10 0 CEAERO Cc1ccc(C(=O)N(C)[C@H](C[NH3+])C(F)(F)F)cc1C ZINC000662978202 414817408 /nfs/dbraw/zinc/81/74/08/414817408.db2.gz ZGAXTYZKDSDPAR-LLVKDONJSA-N 1 0 274.286 2.265 10 0 CEAERO CN(C(=O)c1cccc2[nH]ccc21)[C@H](C[NH3+])C(F)(F)F ZINC000662986429 414818109 /nfs/dbraw/zinc/81/81/09/414818109.db2.gz FLPRSXBTYFNODO-LLVKDONJSA-N 1 0 285.269 2.130 10 0 CEAERO CCC(C)(C)CC(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662982495 414819169 /nfs/dbraw/zinc/81/91/69/414819169.db2.gz VKXVTGPMGKKNQH-MRVPVSSYSA-N 1 0 254.296 2.161 10 0 CEAERO CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)CO1 ZINC000657298643 414843261 /nfs/dbraw/zinc/84/32/61/414843261.db2.gz WJTGKHFRIPUOIP-MRVWCRGKSA-N 1 0 297.420 2.308 10 0 CEAERO C[C@H]([NH3+])c1ccc(NC(=O)N2CCOC(C)(C)C2)cc1 ZINC000041716779 174615256 /nfs/dbraw/zinc/61/52/56/174615256.db2.gz JGCIWENGVKGTDF-NSHDSACASA-N 1 0 277.368 2.349 10 0 CEAERO COc1ccc(OC)c(-c2c[nH]c(C[C@@H]3CCC[NH2+]3)n2)c1 ZINC000042172813 174652085 /nfs/dbraw/zinc/65/20/85/174652085.db2.gz ZMNJDQABJQNQML-NSHDSACASA-N 1 0 287.363 2.388 10 0 CEAERO [NH3+]CCOc1cccc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000042173735 174652567 /nfs/dbraw/zinc/65/25/67/174652567.db2.gz SEFCLFJVQMFGIZ-YWPYICTPSA-N 1 0 274.364 2.399 10 0 CEAERO CCCCCC[C@@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NCC ZINC000042303058 174678960 /nfs/dbraw/zinc/67/89/60/174678960.db2.gz JLNWMKVRGDZIJL-NEPJUHHUSA-N 1 0 271.405 2.169 10 0 CEAERO COCCC[N@H+](CCOC)[C@@H](C)c1ccc(N)cc1 ZINC000042408323 174713898 /nfs/dbraw/zinc/71/38/98/174713898.db2.gz YIXGAFWHSWMQHG-ZDUSSCGKSA-N 1 0 266.385 2.315 10 0 CEAERO O=C(NCCC1CCCCC1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653071177 414895164 /nfs/dbraw/zinc/89/51/64/414895164.db2.gz YHNPCVYPGGCDLC-VXGBXAGGSA-N 1 0 292.345 2.471 10 0 CEAERO COCCN(c1ccccc1[C@@H](C)[NH3+])[C@@H](C)COC ZINC000042608068 174820465 /nfs/dbraw/zinc/82/04/65/174820465.db2.gz VFEQZTWAQNMDCB-QWHCGFSZSA-N 1 0 266.385 2.194 10 0 CEAERO Cc1nc(COc2cc3c(cc2CC[NH3+])OCO3)cs1 ZINC000042877232 174900807 /nfs/dbraw/zinc/90/08/07/174900807.db2.gz HMVVUHLIKHMFBB-UHFFFAOYSA-N 1 0 292.360 2.260 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccc(F)cc1)N1CCC[C@@H]1CO ZINC000042914960 174913996 /nfs/dbraw/zinc/91/39/96/174913996.db2.gz PTLVLIWKPUPPAF-QLFBSQMISA-N 1 0 266.360 2.061 10 0 CEAERO COc1ccc([C@H](C[NH3+])Sc2nncs2)cc1 ZINC000042964699 174928443 /nfs/dbraw/zinc/92/84/43/174928443.db2.gz YNZRBWIUNYRGGA-JTQLQIEISA-N 1 0 267.379 2.339 10 0 CEAERO Cn1ccnc1S[C@@H](C[NH3+])c1cccc(F)c1 ZINC000042974337 174937560 /nfs/dbraw/zinc/93/75/60/174937560.db2.gz MUNLXKUKRFUZRQ-NSHDSACASA-N 1 0 251.330 2.351 10 0 CEAERO C[C@@H]([NH3+])[C@@H](Sc1nncn1C)c1cccc(F)c1 ZINC000042974480 174937714 /nfs/dbraw/zinc/93/77/14/174937714.db2.gz QBRWTYXALQXDNP-LDYMZIIASA-N 1 0 266.345 2.135 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1cccc(OC)c1)N1CCOC[C@@H]1C ZINC000043026634 174946722 /nfs/dbraw/zinc/94/67/22/174946722.db2.gz KNRLJYMUYDJYGN-VBNZEHGJSA-N 1 0 278.396 2.194 10 0 CEAERO CC[C@@H]1COCCN1[C@@H](c1cccc(OC)c1)[C@@H](C)[NH3+] ZINC000043027169 174946993 /nfs/dbraw/zinc/94/69/93/174946993.db2.gz GXJVYTIVFNONMB-XNRPHZJLSA-N 1 0 278.396 2.194 10 0 CEAERO Cc1nc(C)n([C@H](c2ccccc2Cl)[C@H](C)[NH3+])n1 ZINC000043053369 174961026 /nfs/dbraw/zinc/96/10/26/174961026.db2.gz PEJCFGLDXDFFTC-SDBXPKJASA-N 1 0 264.760 2.485 10 0 CEAERO COc1ccccc1[C@@H](OC[C@@H]1CCOC1)[C@@H](C)[NH3+] ZINC000043100568 174967454 /nfs/dbraw/zinc/96/74/54/174967454.db2.gz OUIQEWZRMSHLEC-JMSVASOKSA-N 1 0 265.353 2.137 10 0 CEAERO COc1ccccc1[C@@H](C[NH3+])Sc1nncs1 ZINC000043101149 174967677 /nfs/dbraw/zinc/96/76/77/174967677.db2.gz XXBBFRMWJCZHIW-SNVBAGLBSA-N 1 0 267.379 2.339 10 0 CEAERO CCOC(=O)CS[C@H](c1ccccc1OC)[C@@H](C)[NH3+] ZINC000043101736 174968060 /nfs/dbraw/zinc/96/80/60/174968060.db2.gz ZDWGWNSTEHPGPN-YGRLFVJLSA-N 1 0 283.393 2.380 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1cccs1)N1CCOC[C@@H]1C ZINC000043103798 174969797 /nfs/dbraw/zinc/96/97/97/174969797.db2.gz IEIQUTNUEJTIBO-GMXVVIOVSA-N 1 0 254.399 2.247 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccsc1)N(C)CC(=O)N1CCCC1 ZINC000043123461 174976960 /nfs/dbraw/zinc/97/69/60/174976960.db2.gz NZOUBBIKUNXENI-HIFRSBDPSA-N 1 0 295.452 2.081 10 0 CEAERO C[C@H]([NH3+])[C@@H](Oc1ccc2c(c1)CCC2)c1cnn(C)c1 ZINC000043235426 174987268 /nfs/dbraw/zinc/98/72/68/174987268.db2.gz NGYOURZOILQLIF-MEDUHNTESA-N 1 0 271.364 2.376 10 0 CEAERO Cc1cc(C)c([C@H]([NH3+])[C@@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000043300045 175000796 /nfs/dbraw/zinc/00/07/96/175000796.db2.gz SILVORKIXSAGPU-TZMCWYRMSA-N 1 0 267.394 2.046 10 0 CEAERO C[NH2+][C@@H](c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043300434 175000868 /nfs/dbraw/zinc/00/08/68/175000868.db2.gz RAZZOQBGZGTOBA-JQWIXIFHSA-N 1 0 273.785 2.035 10 0 CEAERO CC[NH2+][C@H](c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043300940 175001284 /nfs/dbraw/zinc/00/12/84/175001284.db2.gz MLZSKVYVRFRBDQ-UONOGXRCSA-N 1 0 267.394 2.080 10 0 CEAERO C[NH2+][C@@H](c1cccc(OC(C)C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300717 175001526 /nfs/dbraw/zinc/00/15/26/175001526.db2.gz RXYVSPWKPFBJOG-HIFRSBDPSA-N 1 0 297.420 2.169 10 0 CEAERO CCCCCC[C@H]([NH2+]CC)[C@H]1CCS(=O)(=O)C1 ZINC000043300867 175001803 /nfs/dbraw/zinc/00/18/03/175001803.db2.gz AJIUAKCMVJVXLR-STQMWFEESA-N 1 0 261.431 2.370 10 0 CEAERO Cc1cccc([C@H](C[NH3+])N2CCOCC2(C)C)c1C ZINC000043314837 175004622 /nfs/dbraw/zinc/00/46/22/175004622.db2.gz VQSHSLFIEGYUTQ-HNNXBMFYSA-N 1 0 262.397 2.414 10 0 CEAERO CCOC(=O)Nc1ccc(N[C@H]2CCC[NH2+]C2)cc1 ZINC000043326352 175007440 /nfs/dbraw/zinc/00/74/40/175007440.db2.gz OOFDQFCFUPMVTO-ZDUSSCGKSA-N 1 0 263.341 2.419 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccco1)N(C)Cc1cc(C)on1 ZINC000043335286 175011226 /nfs/dbraw/zinc/01/12/26/175011226.db2.gz JRZVRSGBBJKGCB-GXTWGEPZSA-N 1 0 263.341 2.486 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1ccco1)N(C)Cc1cscn1 ZINC000043336325 175012439 /nfs/dbraw/zinc/01/24/39/175012439.db2.gz DMJRLPVFSJACRK-CABZTGNLSA-N 1 0 251.355 2.256 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1nnnn1C1CC1)c1ccco1 ZINC000043338250 175012657 /nfs/dbraw/zinc/01/26/57/175012657.db2.gz DDUJVOQCIPJQFB-MWLCHTKSSA-N 1 0 279.369 2.172 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccco1)n1nnc(-c2ccccc2)n1 ZINC000043336427 175012659 /nfs/dbraw/zinc/01/26/59/175012659.db2.gz USCCUELLZFMUPM-JSGCOSHPSA-N 1 0 283.335 2.260 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Oc1ccc(C(N)=O)cc1)c1ccco1 ZINC000043337462 175012800 /nfs/dbraw/zinc/01/28/00/175012800.db2.gz JDXALGKUHMFKPM-TZMCWYRMSA-N 1 0 274.320 2.236 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1ccccn1)n1cnc2ccccc21 ZINC000043341332 175015546 /nfs/dbraw/zinc/01/55/46/175015546.db2.gz GNYNUXNDNXPIBU-ABAIWWIYSA-N 1 0 252.321 2.368 10 0 CEAERO CC(=O)Nc1ccccc1O[C@@H](C[NH3+])c1ccccn1 ZINC000043342506 175015765 /nfs/dbraw/zinc/01/57/65/175015765.db2.gz NCPJWRNTOOLUAK-HNNXBMFYSA-N 1 0 271.320 2.119 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1cccnc1)N1CCCC[C@@H]1CCO ZINC000043345775 175017136 /nfs/dbraw/zinc/01/71/36/175017136.db2.gz GXKDWSCGFBHDDM-PMPSAXMXSA-N 1 0 277.412 2.097 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Oc1ccccc1C(N)=O)c1cccnc1 ZINC000043350402 175019665 /nfs/dbraw/zinc/01/96/65/175019665.db2.gz HKBOXFUUWAWCLK-HIFRSBDPSA-N 1 0 285.347 2.038 10 0 CEAERO Cc1cnc(S[C@@H](c2cccnc2)[C@H](C)[NH3+])nc1 ZINC000043352844 175020442 /nfs/dbraw/zinc/02/04/42/175020442.db2.gz DBPYBHYCTANTNC-CMPLNLGQSA-N 1 0 260.366 2.361 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccncc1)N(C)CC(F)(F)F ZINC000043353851 175020970 /nfs/dbraw/zinc/02/09/70/175020970.db2.gz NKOCAEFYKPQBCW-QWRGUYRKSA-N 1 0 261.291 2.354 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1ccncc1)n1cnc2ccccc21 ZINC000043354910 175022997 /nfs/dbraw/zinc/02/29/97/175022997.db2.gz CGSWBENECHXFCX-ABAIWWIYSA-N 1 0 252.321 2.368 10 0 CEAERO C[C@H]([NH3+])[C@@H](OCc1ccc2c(c1)OCO2)c1ccncc1 ZINC000043355675 175023048 /nfs/dbraw/zinc/02/30/48/175023048.db2.gz NYYSRODVXULFSH-MEDUHNTESA-N 1 0 286.331 2.415 10 0 CEAERO CC[C@@H]([NH3+])[C@H](OC[C@@H]1CCCCO1)c1ccncc1 ZINC000043355696 175023111 /nfs/dbraw/zinc/02/31/11/175023111.db2.gz RXLBKWMXQVRHTQ-RRFJBIMHSA-N 1 0 264.369 2.446 10 0 CEAERO [NH3+]C[C@H](Oc1ccc(F)c(F)c1)c1ccncc1 ZINC000043356194 175023561 /nfs/dbraw/zinc/02/35/61/175023561.db2.gz QBXVPASLBQTPAA-ZDUSSCGKSA-N 1 0 250.248 2.439 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1ncccn1)c1ccncc1 ZINC000043363280 175024077 /nfs/dbraw/zinc/02/40/77/175024077.db2.gz WBENPLVEEOZTLR-RYUDHWBXSA-N 1 0 260.366 2.442 10 0 CEAERO Cc1ccc([C@H](C[NH3+])Oc2ccc3c(c2)OCO3)o1 ZINC000043366600 175027004 /nfs/dbraw/zinc/02/70/04/175027004.db2.gz BJDSYSZFHHDJBL-AWEZNQCLSA-N 1 0 261.277 2.396 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](N(C)Cc1ccccn1)C(F)(F)F ZINC000043377329 175030031 /nfs/dbraw/zinc/03/00/31/175030031.db2.gz XZVHULMRGDYIAT-GHMZBOCLSA-N 1 0 261.291 2.182 10 0 CEAERO Cc1cnc(S[C@@H]([C@H](C)[NH3+])C(F)(F)F)nc1 ZINC000043386481 175032240 /nfs/dbraw/zinc/03/22/40/175032240.db2.gz IPCDMOQHQLOBLM-BQBZGAKWSA-N 1 0 251.277 2.155 10 0 CEAERO CC(C)[C@H](C)N(C)c1nc2c(cc1C(N)=[NH2+])CCC2 ZINC000043406580 175037247 /nfs/dbraw/zinc/03/72/47/175037247.db2.gz JULRFVBMXHYTAF-JTQLQIEISA-N 1 0 260.385 2.335 10 0 CEAERO CC[C@@H]([NH3+])c1ccc(OCC(=O)OC(C)C)cc1 ZINC000043445915 175047757 /nfs/dbraw/zinc/04/77/57/175047757.db2.gz RQVIVOBKTLAQRW-CYBMUJFWSA-N 1 0 251.326 2.427 10 0 CEAERO COC(=O)CCC[NH2+]Cc1ccc(O)c(Cl)c1 ZINC000043480039 175055674 /nfs/dbraw/zinc/05/56/74/175055674.db2.gz KOAWTSLTJJYLSS-UHFFFAOYSA-N 1 0 257.717 2.088 10 0 CEAERO CCC[NH2+][C@@H](c1ccccc1)[C@@H](C)N1CCOCC1 ZINC000043808570 175109007 /nfs/dbraw/zinc/10/90/07/175109007.db2.gz AWNLOTMAOCZIDH-GDBMZVCRSA-N 1 0 262.397 2.448 10 0 CEAERO CC[NH2+][C@@H](CN(CC)CC)c1ccc2c(c1)OCO2 ZINC000043809276 175109654 /nfs/dbraw/zinc/10/96/54/175109654.db2.gz HAGVMZDBQBNUGX-ZDUSSCGKSA-N 1 0 264.369 2.408 10 0 CEAERO CC[NH2+][C@@H]1CCCCC[C@H]1N1C[C@@H](C)O[C@@H](C)C1 ZINC000043811483 175111206 /nfs/dbraw/zinc/11/12/06/175111206.db2.gz GCAVOAQLPVBVFK-LXTVHRRPSA-N 1 0 254.418 2.406 10 0 CEAERO CC[NH2+][C@H](CN(C)CC)c1ccc2c(c1)OCCO2 ZINC000043820464 175114082 /nfs/dbraw/zinc/11/40/82/175114082.db2.gz LNKGLVULAYUPLG-CYBMUJFWSA-N 1 0 264.369 2.060 10 0 CEAERO C[NH2+][C@@H](c1ccc(C)cc1)[C@@H](C)N1CCOC[C@@H]1C ZINC000043891142 175118235 /nfs/dbraw/zinc/11/82/35/175118235.db2.gz RFNMJMBKVKXRHE-SQWLQELKSA-N 1 0 262.397 2.365 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2OC[C@H]1N1CCOC(C)(C)C1 ZINC000043897926 175120293 /nfs/dbraw/zinc/12/02/93/175120293.db2.gz OZBBHTATHIJUDM-GDBMZVCRSA-N 1 0 290.407 2.209 10 0 CEAERO CC[NH2+][C@H](CN(C)C1CCOCC1)c1ccccc1 ZINC000043898338 175120920 /nfs/dbraw/zinc/12/09/20/175120920.db2.gz RUOCKBVPCZOAPQ-MRXNPFEDSA-N 1 0 262.397 2.448 10 0 CEAERO CC[NH2+][C@@H]1c2ccccc2OC[C@@H]1N(C)CC1CC1 ZINC000043906170 175122466 /nfs/dbraw/zinc/12/24/66/175122466.db2.gz ZBIOHOGMNYDLND-GOEBONIOSA-N 1 0 260.381 2.440 10 0 CEAERO CCOC1CCN([C@H]2COc3ccccc3[C@H]2[NH2+]C)CC1 ZINC000043907141 175123091 /nfs/dbraw/zinc/12/30/91/175123091.db2.gz LRZJBQAOUALSAS-DOTOQJQBSA-N 1 0 290.407 2.209 10 0 CEAERO CC[NH2+][C@H]1CCOC[C@@H]1N(C)Cc1ccccc1F ZINC000043910763 175123341 /nfs/dbraw/zinc/12/33/41/175123341.db2.gz WTUXOHDTDGKMTO-GJZGRUSLSA-N 1 0 266.360 2.025 10 0 CEAERO CCC[NH2+][C@H]1CCOC[C@H]1N(C)Cc1ccccc1F ZINC000043910892 175123797 /nfs/dbraw/zinc/12/37/97/175123797.db2.gz WGOGLGCDGAWVDC-JKSUJKDBSA-N 1 0 280.387 2.415 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2CCC[C@H]1N(C)CCOC ZINC000043915176 175124096 /nfs/dbraw/zinc/12/40/96/175124096.db2.gz BVURQTZWDDYPRS-HZPDHXFCSA-N 1 0 262.397 2.230 10 0 CEAERO CCC[C@@H]([NH2+]CC)[C@H](CC)N(CCOC)CCOC ZINC000043912811 175124128 /nfs/dbraw/zinc/12/41/28/175124128.db2.gz CVWGILHPWJUACZ-CABCVRRESA-N 1 0 274.449 2.138 10 0 CEAERO CC[NH2+][C@H]1CCCCCC[C@H]1N(CCOC)CCOC ZINC000043912751 175124405 /nfs/dbraw/zinc/12/44/05/175124405.db2.gz LEMGIJRXHLYMLQ-JKSUJKDBSA-N 1 0 286.460 2.282 10 0 CEAERO C[NH2+][C@@H](CN(CCOC)CCOC)c1ccc(C)c(C)c1 ZINC000043912590 175124465 /nfs/dbraw/zinc/12/44/65/175124465.db2.gz LRHHZAQYUQSISN-KRWDZBQOSA-N 1 0 294.439 2.159 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2C[C@H]1N1CCOCC1(C)C ZINC000043917047 175125538 /nfs/dbraw/zinc/12/55/38/175125538.db2.gz NUZUNUDBYPJLLF-CVEARBPZSA-N 1 0 274.408 2.373 10 0 CEAERO C[NH2+][C@@H]1c2ccccc2C[C@H]1N(C)C[C@@H]1CCCCO1 ZINC000043966419 175127810 /nfs/dbraw/zinc/12/78/10/175127810.db2.gz BYTQSLSSLOQACS-USXIJHARSA-N 1 0 274.408 2.373 10 0 CEAERO CC[NH2+][C@@H](CN(C)Cc1cnn(C)c1)c1ccccc1 ZINC000043967223 175128467 /nfs/dbraw/zinc/12/84/67/175128467.db2.gz XUDYSVKKIXKCPM-INIZCTEOSA-N 1 0 272.396 2.203 10 0 CEAERO CCN(CCOC)C[C@H]([NH2+]C)c1ccccc1C ZINC000043968527 175129583 /nfs/dbraw/zinc/12/95/83/175129583.db2.gz QMEHPIHSUUCZRV-HNNXBMFYSA-N 1 0 250.386 2.224 10 0 CEAERO CCOc1ccccc1[C@H](CN(CCOC)C1CC1)[NH2+]C ZINC000043969747 175131375 /nfs/dbraw/zinc/13/13/75/175131375.db2.gz SMCDMDKETULANK-INIZCTEOSA-N 1 0 292.423 2.457 10 0 CEAERO Cc1ccc([C@H](O)C[N@@H+](C)C2CCN(C)CC2)c(C)c1 ZINC000044121170 175142936 /nfs/dbraw/zinc/14/29/36/175142936.db2.gz YNBFWYLPIUHJIR-QGZVFWFLSA-N 1 0 276.424 2.363 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1C(=O)CCCc1cccs1 ZINC000044541651 175201499 /nfs/dbraw/zinc/20/14/99/175201499.db2.gz ZBANDTJMEUHSOT-LBPRGKRZSA-N 1 0 266.410 2.411 10 0 CEAERO [NH3+][C@H]1CCCc2cc(OCCn3ccnc3)ccc21 ZINC000044732429 175241033 /nfs/dbraw/zinc/24/10/33/175241033.db2.gz YGGVZHDNHJWQGB-HNNXBMFYSA-N 1 0 257.337 2.298 10 0 CEAERO C[NH2+][C@@H]1CCCc2cc(O[C@H](C)C(=O)N(C)C)ccc21 ZINC000044745288 175241538 /nfs/dbraw/zinc/24/15/38/175241538.db2.gz UNUMNCZFYQPTAZ-IAQYHMDHSA-N 1 0 276.380 2.139 10 0 CEAERO [NH3+][C@@H]1CCCc2cc(O[C@H]3CCCCNC3=O)ccc21 ZINC000044744982 175241653 /nfs/dbraw/zinc/24/16/53/175241653.db2.gz NOKQNDQBEWLDJG-CABCVRRESA-N 1 0 274.364 2.070 10 0 CEAERO CCNC(=O)COc1ccc2c(c1)CCC[C@@H]2[NH2+]CC ZINC000044745628 175241984 /nfs/dbraw/zinc/24/19/84/175241984.db2.gz FAKJLFVVJUYXCQ-HNNXBMFYSA-N 1 0 276.380 2.188 10 0 CEAERO CCCNC(=O)[C@@H](C)[NH2+][C@H]1CCCc2cc(O)ccc21 ZINC000044747154 175242675 /nfs/dbraw/zinc/24/26/75/175242675.db2.gz FTXGSZNCVCEVTF-ABAIWWIYSA-N 1 0 276.380 2.274 10 0 CEAERO CCCN(CCC)C(=O)[C@@H](C[NH3+])Cc1ccccc1 ZINC000044796533 175254738 /nfs/dbraw/zinc/25/47/38/175254738.db2.gz PHXYRAMEDBVAMV-OAHLLOKOSA-N 1 0 262.397 2.453 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)Nc1ccc(OC)cc1OC ZINC000044797726 175254816 /nfs/dbraw/zinc/25/48/16/175254816.db2.gz CIGGIECNUNDAMU-SNVBAGLBSA-N 1 0 266.341 2.017 10 0 CEAERO CC(C)[C@@H](C)N(C)C(=O)[C@@H](C[NH3+])Cc1ccccc1 ZINC000044802000 175255510 /nfs/dbraw/zinc/25/55/10/175255510.db2.gz VUFYFWTTYVLUGK-UKRRQHHQSA-N 1 0 262.397 2.307 10 0 CEAERO CCN(c1cccc(F)c1)[C@H](C[NH3+])c1cnn(C)c1 ZINC000044885062 175270529 /nfs/dbraw/zinc/27/05/29/175270529.db2.gz UISYYNHKLOTMPI-CQSZACIVSA-N 1 0 262.332 2.086 10 0 CEAERO CCC1CCC(CNC(=O)C2(C[NH3+])CCOCC2)CC1 ZINC000044995429 175287245 /nfs/dbraw/zinc/28/72/45/175287245.db2.gz YBYOPLLELRCTJT-UHFFFAOYSA-N 1 0 282.428 2.075 10 0 CEAERO COCC[C@](C)(C[NH3+])N(Cc1cccs1)C1CC1 ZINC000045043547 175295605 /nfs/dbraw/zinc/29/56/05/175295605.db2.gz ZLKAPMPASBDGFT-CQSZACIVSA-N 1 0 268.426 2.466 10 0 CEAERO COCC[C@@](C)(CN)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045071117 175301157 /nfs/dbraw/zinc/30/11/57/175301157.db2.gz OXLJKONMPXBAKG-CABCVRRESA-N 1 0 254.418 2.395 10 0 CEAERO CCC[N@H+](CC(N)=S)Cc1cc(F)ccc1F ZINC000045093476 175307124 /nfs/dbraw/zinc/30/71/24/175307124.db2.gz FUNZBHLWSDXLRL-UHFFFAOYSA-N 1 0 258.337 2.463 10 0 CEAERO CC1(C)C[C@@H]1[NH2+]Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000045119878 175312179 /nfs/dbraw/zinc/31/21/79/175312179.db2.gz HFWNTZBAACGJAN-NSHDSACASA-N 1 0 277.755 2.465 10 0 CEAERO CC[C@@H]([NH3+])c1cccc(S(=O)(=O)N[C@@H]2CC2(C)C)c1 ZINC000045138169 175314422 /nfs/dbraw/zinc/31/44/22/175314422.db2.gz BNBPGHXBRXHKGO-CHWSQXEVSA-N 1 0 282.409 2.173 10 0 CEAERO CC(C)[N@@H+]1CC[C@H](CNc2cc(Cl)ncn2)C1 ZINC000045140379 175315563 /nfs/dbraw/zinc/31/55/63/175315563.db2.gz OHMUCBSVQUKDPS-SNVBAGLBSA-N 1 0 254.765 2.272 10 0 CEAERO CCn1nc(C)c(-c2csc(N3CC[NH2+]CC3)n2)c1C ZINC000045167987 175319190 /nfs/dbraw/zinc/31/91/90/175319190.db2.gz PSNNVJRWXQAROU-UHFFFAOYSA-N 1 0 291.424 2.053 10 0 CEAERO CCn1nc(C)c(-c2c[nH]c(C[NH2+]C(C)C)n2)c1C ZINC000045169439 175319711 /nfs/dbraw/zinc/31/97/11/175319711.db2.gz OJXGFNVMLYTEKJ-UHFFFAOYSA-N 1 0 261.373 2.408 10 0 CEAERO CCN1CCC[C@H]([NH2+][C@@H](C)c2c(C)nn(C)c2C)C1 ZINC000045172084 175321682 /nfs/dbraw/zinc/32/16/82/175321682.db2.gz YRNHFFWNUGLLOL-FZMZJTMJSA-N 1 0 264.417 2.172 10 0 CEAERO CCC[NH2+][C@@](C)(CC[N@@H+]1CCC[C@@H]1CC)C(=O)[O-] ZINC000045221243 175330046 /nfs/dbraw/zinc/33/00/46/175330046.db2.gz ZMUNCPXTCUGXJB-JSGCOSHPSA-N 1 0 256.390 2.094 10 0 CEAERO CCCC[N@H+](C)C[C@@](NC(C)C)(C(N)=O)c1ccccc1 ZINC000045221950 175330950 /nfs/dbraw/zinc/33/09/50/175330950.db2.gz MDVBTMFVPKRKRS-KRWDZBQOSA-N 1 0 291.439 2.097 10 0 CEAERO CCCC[N@H+](CC)C[C@](C)(NCCC)C(=O)OC ZINC000045223296 175331244 /nfs/dbraw/zinc/33/12/44/175331244.db2.gz ZXUOABAQZGPQHB-AWEZNQCLSA-N 1 0 258.406 2.040 10 0 CEAERO CCN[C@](C)(C[NH+]1CCCCCCC1)C(=O)OCC ZINC000045223669 175331527 /nfs/dbraw/zinc/33/15/27/175331527.db2.gz GQECBSBJQKNTOP-OAHLLOKOSA-N 1 0 270.417 2.184 10 0 CEAERO CCOC(=O)[C@](C)(CC[NH+]1CCC(C)CC1)NC(C)C ZINC000045225584 175332647 /nfs/dbraw/zinc/33/26/47/175332647.db2.gz IYJUYCUPBADGSX-INIZCTEOSA-N 1 0 284.444 2.428 10 0 CEAERO CCC[NH+](CCC)CC[C@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045230409 175334564 /nfs/dbraw/zinc/33/45/64/175334564.db2.gz NSRGUIGULUAAIH-AWEZNQCLSA-N 1 0 258.406 2.340 10 0 CEAERO CCC[NH+](CCC)CC[C@@](C)(NC(C)C)C(=O)OC ZINC000045230516 175334748 /nfs/dbraw/zinc/33/47/48/175334748.db2.gz PVFZYRCPYFZDNH-OAHLLOKOSA-N 1 0 272.433 2.428 10 0 CEAERO CC[NH2+][C@](C)(CC[NH+]1[C@@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000045231859 175335404 /nfs/dbraw/zinc/33/54/04/175335404.db2.gz ALZZIFAZGISVAL-SGMGOOAPSA-N 1 0 256.390 2.092 10 0 CEAERO CCOC(=O)[C@@](N)(C[N@H+](CC)CC(C)C)c1ccccc1 ZINC000045264040 175337519 /nfs/dbraw/zinc/33/75/19/175337519.db2.gz OIEIYPKBXRHGNV-QGZVFWFLSA-N 1 0 292.423 2.382 10 0 CEAERO CC[N@H+](CC(C)C)C[C@@](NC)(C(=O)OC)c1ccccc1 ZINC000045264050 175337769 /nfs/dbraw/zinc/33/77/69/175337769.db2.gz ZCNAPZDQUIHMIB-KRWDZBQOSA-N 1 0 292.423 2.252 10 0 CEAERO CC[N@H+](C[C@](NC(C)C)(C(N)=O)c1ccccc1)C(C)C ZINC000045265424 175338361 /nfs/dbraw/zinc/33/83/61/175338361.db2.gz FOAZPPUBGGIULV-QGZVFWFLSA-N 1 0 291.439 2.096 10 0 CEAERO CCC[N@H+](C)C[C@](NCC)(C(=O)OCC)c1ccccc1 ZINC000045264320 175338561 /nfs/dbraw/zinc/33/85/61/175338561.db2.gz FNUZCICIFSJYNC-QGZVFWFLSA-N 1 0 292.423 2.396 10 0 CEAERO CCOC(=O)[C@](C)(C[N@H+](CC)C(C)C)NC(C)C ZINC000045265545 175338650 /nfs/dbraw/zinc/33/86/50/175338650.db2.gz DRMATFXWLRWRIW-AWEZNQCLSA-N 1 0 258.406 2.037 10 0 CEAERO CCC[N@H+](CC)C[C@](NC(C)C)(C(N)=O)c1ccccc1 ZINC000045267472 175339597 /nfs/dbraw/zinc/33/95/97/175339597.db2.gz RBTWOVVXIXBMKA-QGZVFWFLSA-N 1 0 291.439 2.097 10 0 CEAERO CCC[N@H+](CC[C@@](C)([NH2+]C(C)C)C(=O)[O-])C1CC1 ZINC000045267946 175340219 /nfs/dbraw/zinc/34/02/19/175340219.db2.gz PIYPAORLENFUJU-CQSZACIVSA-N 1 0 256.390 2.092 10 0 CEAERO CCOC(=O)[C@](C)(C[N@H+](C)C[C@@H](C)CC)NC(C)C ZINC000045268399 175340790 /nfs/dbraw/zinc/34/07/90/175340790.db2.gz WBSBNMFXTYFPIW-ZFWWWQNUSA-N 1 0 272.433 2.284 10 0 CEAERO CCCN[C@@](C)(C[N@H+](C)[C@@H](C)C(C)C)C(=O)OCC ZINC000045269864 175341907 /nfs/dbraw/zinc/34/19/07/175341907.db2.gz CVGAJDJMGGISQO-ZFWWWQNUSA-N 1 0 272.433 2.284 10 0 CEAERO CCN[C@@](C)(CC[N@@H+]1CCC[C@@H](CC)C1)C(=O)OC ZINC000045270538 175342284 /nfs/dbraw/zinc/34/22/84/175342284.db2.gz QRNHUUDXGQHGEX-HIFRSBDPSA-N 1 0 270.417 2.040 10 0 CEAERO CCC[N@H+](CC[C@@](C)(NCC)C(=O)OCC)CC1CC1 ZINC000045276918 175346834 /nfs/dbraw/zinc/34/68/34/175346834.db2.gz WQEYXFZSJANUCZ-MRXNPFEDSA-N 1 0 284.444 2.430 10 0 CEAERO COC(=O)[C@](C)(C[N@H+](C)[C@@H]1CCCC[C@@H]1C)NC(C)C ZINC000045279034 175349088 /nfs/dbraw/zinc/34/90/88/175349088.db2.gz CHYOIOUJXFMUSQ-LZWOXQAQSA-N 1 0 284.444 2.427 10 0 CEAERO CCN[C@](C)(C[N@H+](C)C1CCC(C)CC1)C(=O)OCC ZINC000045280537 175350205 /nfs/dbraw/zinc/35/02/05/175350205.db2.gz LNZXDFHHSMIIFR-ZBCRRDGASA-N 1 0 284.444 2.428 10 0 CEAERO CC(C)CC[N@H+](C)CC[C@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045281266 175351516 /nfs/dbraw/zinc/35/15/16/175351516.db2.gz GVEJZKXKPUKJFI-AWEZNQCLSA-N 1 0 258.406 2.196 10 0 CEAERO CCOC(=O)[C@@](C)(CCCC[NH+]1CCCC1)NC1CC1 ZINC000045375310 175366334 /nfs/dbraw/zinc/36/63/34/175366334.db2.gz WFLNEEUNAUFXHJ-MRXNPFEDSA-N 1 0 282.428 2.326 10 0 CEAERO CC[NH+](CC)CCCC[C@@](C)(NC(C)C)C(=O)OC ZINC000045375864 175366454 /nfs/dbraw/zinc/36/64/54/175366454.db2.gz ORDLFPZWSNDUDG-OAHLLOKOSA-N 1 0 272.433 2.428 10 0 CEAERO CCN[C@](C)(CCCC[N@H+](C)C(C)C)C(=O)OC ZINC000045377975 175367564 /nfs/dbraw/zinc/36/75/64/175367564.db2.gz DSKLJIOEBHWURJ-CQSZACIVSA-N 1 0 258.406 2.038 10 0 CEAERO CN[C@@](C)(CCC[N@H+](C)C1CCCCC1)C(=O)OC ZINC000045379134 175368430 /nfs/dbraw/zinc/36/84/30/175368430.db2.gz JFGBMHAKHQNDHF-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CCCC[NH+](CCCC)CCC[C@](C)([NH3+])C(=O)[O-] ZINC000045380459 175369495 /nfs/dbraw/zinc/36/94/95/175369495.db2.gz IUPGFHSYARFOCH-AWEZNQCLSA-N 1 0 258.406 2.471 10 0 CEAERO CCC[NH2+][C@](C)(CCC[N@H+](CC)C1CC1)C(=O)[O-] ZINC000045386477 175372688 /nfs/dbraw/zinc/37/26/88/175372688.db2.gz FEBBFKUHEQLEPU-CQSZACIVSA-N 1 0 256.390 2.094 10 0 CEAERO CCC(CC)[N@H+](C)CCCC[C@@](C)([NH2+]C)C(=O)[O-] ZINC000045391353 175374618 /nfs/dbraw/zinc/37/46/18/175374618.db2.gz ULGZNEDWNBCPNJ-CQSZACIVSA-N 1 0 258.406 2.340 10 0 CEAERO CCN[C@](C)(CCCC[N@H+](C)[C@@H](C)C1CC1)C(=O)OC ZINC000045392865 175375673 /nfs/dbraw/zinc/37/56/73/175375673.db2.gz YFXUZKHMLVDYMO-XJKSGUPXSA-N 1 0 284.444 2.428 10 0 CEAERO COC(=O)[C@](C)(CCC[N@@H+]1CC[C@@H](C)C1)NC(C)C ZINC000045420323 175378572 /nfs/dbraw/zinc/37/85/72/175378572.db2.gz ZFQDQUZHKLBDDF-HIFRSBDPSA-N 1 0 270.417 2.038 10 0 CEAERO Cc1cc([C@@H](C)[NH2+]C[C@H]2CC(=O)N(C)C2)cs1 ZINC000658241154 415273954 /nfs/dbraw/zinc/27/39/54/415273954.db2.gz KYRFCOONHYISAK-GHMZBOCLSA-N 1 0 252.383 2.185 10 0 CEAERO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1ccccc1Cl ZINC000658243737 415277246 /nfs/dbraw/zinc/27/72/46/415277246.db2.gz GGGVJTAJFQBUDN-MNOVXSKESA-N 1 0 266.772 2.469 10 0 CEAERO Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)CC2 ZINC000658243466 415279180 /nfs/dbraw/zinc/27/91/80/415279180.db2.gz DJTLNLISLJBZBZ-SWLSCSKDSA-N 1 0 258.365 2.050 10 0 CEAERO Cc1cccc(CC[C@H](C)[NH2+]C[C@@H]2CC(=O)N(C)C2)c1 ZINC000658246280 415280697 /nfs/dbraw/zinc/28/06/97/415280697.db2.gz YGMJZLRFSAUTJJ-HOCLYGCPSA-N 1 0 274.408 2.384 10 0 CEAERO CC(C)n1ccnc1C[N@@H+]1CCC[C@H](C)[C@H]1CCO ZINC000661491172 415288225 /nfs/dbraw/zinc/28/82/25/415288225.db2.gz FXKXBYYTGLZIHR-UONOGXRCSA-N 1 0 265.401 2.447 10 0 CEAERO COc1ccc([C@@H](C)[NH2+]C2CC(CO)C2)cc1OC ZINC000658352087 415331991 /nfs/dbraw/zinc/33/19/91/415331991.db2.gz SJESVHQOQCHYMH-XSRFYTQQSA-N 1 0 265.353 2.125 10 0 CEAERO CCN1CCO[C@@H](C[NH3+])[C@@H]1c1ccc(OC(C)C)cc1 ZINC000070287857 175886450 /nfs/dbraw/zinc/88/64/50/175886450.db2.gz DBXUFCACKJSDFC-HOTGVXAUSA-N 1 0 278.396 2.194 10 0 CEAERO CCOc1cccc(C[C@H](C)[NH3+])c1O[C@@H](C)COC ZINC000070378188 175900360 /nfs/dbraw/zinc/90/03/60/175900360.db2.gz UDGXKRCLMALRPG-RYUDHWBXSA-N 1 0 267.369 2.389 10 0 CEAERO Nc1cc[nH+]cc1C[C@@H](O)Cc1cccc(Cl)c1 ZINC000070400491 175910323 /nfs/dbraw/zinc/91/03/23/175910323.db2.gz IKZIEUTZTQDVCI-ZDUSSCGKSA-N 1 0 262.740 2.463 10 0 CEAERO C[NH2+][C@H](Cc1cccnc1N)Cc1ccccc1OC ZINC000070407249 175913424 /nfs/dbraw/zinc/91/34/24/175913424.db2.gz FGVHUJONTUFXLT-AWEZNQCLSA-N 1 0 271.364 2.046 10 0 CEAERO CCc1cc(N2CC[C@H]([NH3+])C2)nc(-c2ccc(F)cc2)n1 ZINC000070455943 175940228 /nfs/dbraw/zinc/94/02/28/175940228.db2.gz XOYUIWQQNYEFRZ-ZDUSSCGKSA-N 1 0 286.354 2.383 10 0 CEAERO CCN(CC)[C@H](C[NH2+]CCOCCOC)c1ccccc1 ZINC000070480664 175952888 /nfs/dbraw/zinc/95/28/88/175952888.db2.gz DYYCDYDHESONEQ-QGZVFWFLSA-N 1 0 294.439 2.322 10 0 CEAERO CC[C@]1(C(=O)N(CC2CC2)CC2CC2)CCC[NH2+]C1 ZINC000070505383 175959070 /nfs/dbraw/zinc/95/90/70/175959070.db2.gz NRAAXHGXKHWWML-INIZCTEOSA-N 1 0 264.413 2.415 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)C[C@@H](C)Oc1ccccc1CO ZINC000070516383 175965654 /nfs/dbraw/zinc/96/56/54/175965654.db2.gz UEWXJHLRGVFOOZ-CJNGLKHVSA-N 1 0 281.396 2.085 10 0 CEAERO Cc1cc2c(c(C)c1)N(C[C@@H](C)C[NH2+]C1CC1)C(=O)C2=O ZINC000070527386 175971295 /nfs/dbraw/zinc/97/12/95/175971295.db2.gz BXDPGESWNKTHAD-NSHDSACASA-N 1 0 286.375 2.221 10 0 CEAERO O=C1c2ccccc2CCN1CC[C@@H]1CCCC[NH2+]1 ZINC000070536699 175976019 /nfs/dbraw/zinc/97/60/19/175976019.db2.gz VPAYKAOONXOQFL-AWEZNQCLSA-N 1 0 258.365 2.217 10 0 CEAERO COC(=O)c1cc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)ccc1F ZINC000070575042 175990330 /nfs/dbraw/zinc/99/03/30/175990330.db2.gz SOVLGDANUXOHCD-UWVGGRQHSA-N 1 0 294.326 2.068 10 0 CEAERO Brc1cccnc1S[C@H]1CC[NH2+]C1 ZINC000070615524 175997790 /nfs/dbraw/zinc/99/77/90/175997790.db2.gz IVDKFELGYOCFQE-ZETCQYMHSA-N 1 0 259.172 2.298 10 0 CEAERO Cc1nc(CN(C)c2nc(C[NH3+])cs2)cs1 ZINC000070682282 176001291 /nfs/dbraw/zinc/00/12/91/176001291.db2.gz YNNDUAMVTPBNCJ-UHFFFAOYSA-N 1 0 254.384 2.003 10 0 CEAERO C[NH2+]Cc1cnn(Cc2cc(Br)cs2)c1 ZINC000070708688 176002265 /nfs/dbraw/zinc/00/22/65/176002265.db2.gz LQNKFZPYTPYSPH-UHFFFAOYSA-N 1 0 286.198 2.475 10 0 CEAERO O=C(Nc1ccc(-n2ccnc2)c(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000070812376 176006540 /nfs/dbraw/zinc/00/65/40/176006540.db2.gz KJVPCXMIEQRGLE-LBPRGKRZSA-N 1 0 290.754 2.216 10 0 CEAERO [NH3+][C@@H]1CCC(=O)N[C@@H]1c1ccc(Cl)cc1Cl ZINC000070824447 176007668 /nfs/dbraw/zinc/00/76/68/176007668.db2.gz UUPRWXWIYKBQFR-MWLCHTKSSA-N 1 0 259.136 2.272 10 0 CEAERO Nc1cccc(Cl)c1SC[C@@H]1C[NH2+]CCO1 ZINC000070834402 176007908 /nfs/dbraw/zinc/00/79/08/176007908.db2.gz MZQZKMYKNFFIGM-QMMMGPOBSA-N 1 0 258.774 2.003 10 0 CEAERO [NH3+][C@H]1CCC(=O)N[C@H]1c1ccc(Cl)cc1Cl ZINC000070824459 176007936 /nfs/dbraw/zinc/00/79/36/176007936.db2.gz UUPRWXWIYKBQFR-ONGXEEELSA-N 1 0 259.136 2.272 10 0 CEAERO C[C@@H](Cc1ccc(F)cc1)N1CCC[C@H]([NH2+]C2CC2)C1=O ZINC000071031281 176022740 /nfs/dbraw/zinc/02/27/40/176022740.db2.gz UKNASYAVVSVZCC-LRDDRELGSA-N 1 0 290.382 2.500 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCCN1CCc1cccs1 ZINC000071033452 176023727 /nfs/dbraw/zinc/02/37/27/176023727.db2.gz DLFASEOMLCIAAR-CYBMUJFWSA-N 1 0 264.394 2.034 10 0 CEAERO C[C@H](c1cccc(F)c1)N1CC[C@@H]([NH2+]C2CC2)C1=O ZINC000071034926 176024768 /nfs/dbraw/zinc/02/47/68/176024768.db2.gz GSZALWPIFVLEAJ-QMTHXVAHSA-N 1 0 262.328 2.240 10 0 CEAERO Cc1cc([C@H](C)N2CC[C@@H]([NH2+]C3CC3)C2=O)c(C)o1 ZINC000071035192 176024816 /nfs/dbraw/zinc/02/48/16/176024816.db2.gz JYYOFJADCNFFCR-IINYFYTJSA-N 1 0 262.353 2.310 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCN1c1cccc2ncccc21 ZINC000071037556 176026852 /nfs/dbraw/zinc/02/68/52/176026852.db2.gz DKFWBRVCJPOHAS-CQSZACIVSA-N 1 0 267.332 2.092 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCN1c1ccc(Cl)cc1F ZINC000071039967 176027411 /nfs/dbraw/zinc/02/74/11/176027411.db2.gz FFDYTSPXGKYORA-LLVKDONJSA-N 1 0 268.719 2.336 10 0 CEAERO CC[NH2+][C@@H]1CCCN(CCCOc2ccccc2)C1=O ZINC000071043212 176029164 /nfs/dbraw/zinc/02/91/64/176029164.db2.gz XVPMHKAAVVQVJM-OAHLLOKOSA-N 1 0 276.380 2.056 10 0 CEAERO O[C@H]1CCCC[C@@H]1[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000071091099 176031440 /nfs/dbraw/zinc/03/14/40/176031440.db2.gz LTUGVODMTREEIA-JYJNAYRXSA-N 1 0 261.365 2.194 10 0 CEAERO c1ccc2c(c1)CCO[C@H]2COC[C@@H]1CCC[NH2+]C1 ZINC000071091874 176031742 /nfs/dbraw/zinc/03/17/42/176031742.db2.gz QFHOLTBCBGAYQD-CJNGLKHVSA-N 1 0 261.365 2.317 10 0 CEAERO C[C@H]([NH3+])Cc1cnn(C[C@@H]2OCCc3ccccc32)c1 ZINC000071099180 176032836 /nfs/dbraw/zinc/03/28/36/176032836.db2.gz RZXOJBABUYFCEV-LRDDRELGSA-N 1 0 271.364 2.087 10 0 CEAERO CC[C@@H]([NH3+])Cc1nccn1C[C@H]1OCCc2ccccc21 ZINC000071099250 176033102 /nfs/dbraw/zinc/03/31/02/176033102.db2.gz NZCCPYRFEIPDRD-GDBMZVCRSA-N 1 0 285.391 2.477 10 0 CEAERO Cc1noc(C)c1C[NH2+][C@@]1(CO)CCC[C@H](C)C1 ZINC000071137724 176036487 /nfs/dbraw/zinc/03/64/87/176036487.db2.gz GFIWVNPTHAIZOL-HZMBPMFUSA-N 1 0 252.358 2.322 10 0 CEAERO C[C@H]1CCC[C@H]([NH+]2CCN(C(C)(C)C(N)=S)CC2)C1 ZINC000071148294 176044225 /nfs/dbraw/zinc/04/42/25/176044225.db2.gz SKGSLTRGDRHGNU-STQMWFEESA-N 1 0 283.485 2.247 10 0 CEAERO CC[C@H]1CCCC[C@@]1(CN)[N@H+](C)C[C@@H]1CCCO1 ZINC000071161819 176046325 /nfs/dbraw/zinc/04/63/25/176046325.db2.gz CNYJCIYNKTUOHM-KKUMJFAQSA-N 1 0 254.418 2.395 10 0 CEAERO COc1ccc(C[C@@](C)(CN)[N@H+](C)CC2CC2)cc1 ZINC000071169155 176049986 /nfs/dbraw/zinc/04/99/86/176049986.db2.gz RMWBMJRXLCOHRD-INIZCTEOSA-N 1 0 262.397 2.297 10 0 CEAERO Cc1c(Cl)nnc(NC[C@@H]2CC[N@@H+](C)C2)c1C ZINC000071171401 176051305 /nfs/dbraw/zinc/05/13/05/176051305.db2.gz FCNVDANFGGFXLO-JTQLQIEISA-N 1 0 254.765 2.110 10 0 CEAERO CC(C)Oc1cncc(N[C@H]2c3ccccc3C[C@@H]2[NH3+])n1 ZINC000071177446 176055120 /nfs/dbraw/zinc/05/51/20/176055120.db2.gz NGLIXTNRMJOZAI-BBRMVZONSA-N 1 0 284.363 2.300 10 0 CEAERO CCC[NH2+]C[C@H]1CCCN1c1cncc(OCCC)n1 ZINC000071176816 176055213 /nfs/dbraw/zinc/05/52/13/176055213.db2.gz ZYXPEAQWVFLHOE-CYBMUJFWSA-N 1 0 278.400 2.234 10 0 CEAERO CCOc1cncc(N2CCC[C@@H]2C[NH2+]C(C)(C)C)n1 ZINC000071176837 176055238 /nfs/dbraw/zinc/05/52/38/176055238.db2.gz GNQRMMYCMYNEEZ-GFCCVEGCSA-N 1 0 278.400 2.232 10 0 CEAERO CCCOc1cncc(Nc2cccc(C[NH3+])c2)n1 ZINC000071177418 176055308 /nfs/dbraw/zinc/05/53/08/176055308.db2.gz AQWMWIQPUOAGOC-UHFFFAOYSA-N 1 0 258.325 2.468 10 0 CEAERO CCCOc1cncc(N[C@@H](C[NH3+])c2ccccc2)n1 ZINC000071177435 176055366 /nfs/dbraw/zinc/05/53/66/176055366.db2.gz NUFIIWDVNGLNRU-ZDUSSCGKSA-N 1 0 272.352 2.377 10 0 CEAERO [NH3+]Cc1cnc(N(Cc2ccccc2)C2CC2)cn1 ZINC000071177807 176055581 /nfs/dbraw/zinc/05/55/81/176055581.db2.gz GXWCNVAUULUDHD-UHFFFAOYSA-N 1 0 254.337 2.104 10 0 CEAERO CCc1ccc(CN(C)c2cnc(C[NH3+])cn2)cc1 ZINC000071177826 176055729 /nfs/dbraw/zinc/05/57/29/176055729.db2.gz KKNXNXKMIDHPQG-UHFFFAOYSA-N 1 0 256.353 2.134 10 0 CEAERO CC[NH2+][C@@H](CC)c1ccc(O[C@@H]2CCN(C)C2=O)cc1 ZINC000071182948 176057984 /nfs/dbraw/zinc/05/79/84/176057984.db2.gz AXSQBPJJCHLVHL-LSDHHAIUSA-N 1 0 276.380 2.357 10 0 CEAERO CC(C)C[NH2+]Cc1ccccc1O[C@H]1CCN(C)C1=O ZINC000071183147 176058690 /nfs/dbraw/zinc/05/86/90/176058690.db2.gz NWSUYOWXTQMORG-HNNXBMFYSA-N 1 0 276.380 2.042 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(C)cc1O[C@H]1CCN(C)C1=O ZINC000071183261 176058736 /nfs/dbraw/zinc/05/87/36/176058736.db2.gz ISXOFYYOMARQAL-OCCSQVGLSA-N 1 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IRXFWEOEKAHZOW-HNNXBMFYSA-N 1 0 261.413 2.197 10 0 CEAERO CCOC(=O)c1ncsc1NC[C@@H]1CCCC[N@@H+]1C ZINC000071202078 176078313 /nfs/dbraw/zinc/07/83/13/176078313.db2.gz XEDFSXJNWQUMKI-JTQLQIEISA-N 1 0 283.397 2.216 10 0 CEAERO O=C(C[NH+]1CCc2ccccc2CC1)c1ccc[nH]1 ZINC000071202969 176078582 /nfs/dbraw/zinc/07/85/82/176078582.db2.gz OOWMALFRBJIWKV-UHFFFAOYSA-N 1 0 254.333 2.298 10 0 CEAERO COc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]1C ZINC000071207691 176080719 /nfs/dbraw/zinc/08/07/19/176080719.db2.gz CVUBYVVUICARFY-MELADBBJSA-N 1 0 279.380 2.213 10 0 CEAERO C[C@H]1CCC[C@H]1NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000071209068 176081765 /nfs/dbraw/zinc/08/17/65/176081765.db2.gz MHXVXELUWHHLCO-HPCHECBXSA-N 1 0 250.386 2.212 10 0 CEAERO CC(C)C[NH2+]CCn1cc(C(F)(F)F)ccc1=O ZINC000071212186 176084411 /nfs/dbraw/zinc/08/44/11/176084411.db2.gz UTCUOJZIKDMRRE-UHFFFAOYSA-N 1 0 262.275 2.113 10 0 CEAERO COCC[N@H+](CCC(N)=S)Cc1ccc(C)c(C)c1 ZINC000071225582 176088945 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CC1(C)C[N@H+](C[C@@H]2CCOC2)[C@H](c2ccccc2)CN1 ZINC000071342966 176130711 /nfs/dbraw/zinc/13/07/11/176130711.db2.gz HSPPFNUVXCDIPK-HOCLYGCPSA-N 1 0 274.408 2.448 10 0 CEAERO CC[C@@H]1CN(CCOCC(F)(F)F)[C@H](C(C)C)C[NH2+]1 ZINC000071343683 176130881 /nfs/dbraw/zinc/13/08/81/176130881.db2.gz IUOBKSQRTBLGRC-NEPJUHHUSA-N 1 0 282.350 2.274 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1CCn1ccnc1C ZINC000071346520 176132075 /nfs/dbraw/zinc/13/20/75/176132075.db2.gz CEZQDYNXXHJGTI-CABCVRRESA-N 1 0 278.444 2.290 10 0 CEAERO CCC[C@@H]1C[NH2+][C@H](CC(C)C)CN1Cc1cnn(C)c1 ZINC000071350477 176133472 /nfs/dbraw/zinc/13/34/72/176133472.db2.gz ZGYZMKCHCWJRQY-HZPDHXFCSA-N 1 0 278.444 2.409 10 0 CEAERO C[C@@H]1C[NH2+][C@H](Cc2ccccc2)CN1C[C@@H]1CCCO1 ZINC000071352510 176135313 /nfs/dbraw/zinc/13/53/13/176135313.db2.gz XSMOPRVWOQTSPZ-OIISXLGYSA-N 1 0 274.408 2.070 10 0 CEAERO CC[C@H](C)[C@@H]1CN(CCn2ccnc2C)[C@@H](CC)C[NH2+]1 ZINC000071354138 176136298 /nfs/dbraw/zinc/13/62/98/176136298.db2.gz GEVMTWIHMKLMBJ-BPUTZDHNSA-N 1 0 278.444 2.290 10 0 CEAERO CC[C@H](C)[C@H]1CN(Cc2cnn(C)c2)[C@@](C)(CC)C[NH2+]1 ZINC000071355985 176136712 /nfs/dbraw/zinc/13/67/12/176136712.db2.gz PQZOIIKNRLTONW-IMJJTQAJSA-N 1 0 278.444 2.409 10 0 CEAERO CC[C@@H](C)[C@@H]1CN(CCn2ccnc2C)[C@H](C2CC2)C[NH2+]1 ZINC000071355312 176136892 /nfs/dbraw/zinc/13/68/92/176136892.db2.gz ZWHBQPWNOAUGRB-COXVUDFISA-N 1 0 290.455 2.290 10 0 CEAERO CC[C@@H](C)[C@H]1CN(CCOC)C2(CCCC2)C[NH2+]1 ZINC000071356192 176136988 /nfs/dbraw/zinc/13/69/88/176136988.db2.gz QPSFUJFOUUCYLX-ZIAGYGMSSA-N 1 0 254.418 2.266 10 0 CEAERO CN(C)c1cc[nH+]cc1NCc1cnn2ccccc12 ZINC000071372863 176138666 /nfs/dbraw/zinc/13/86/66/176138666.db2.gz MRNNARDADZRMDF-UHFFFAOYSA-N 1 0 267.336 2.407 10 0 CEAERO CCc1ccc(CSc2nnc(C[NH3+])n2C)cc1 ZINC000071374178 176139497 /nfs/dbraw/zinc/13/94/97/176139497.db2.gz VGVCAVUBWPNBNF-UHFFFAOYSA-N 1 0 262.382 2.129 10 0 CEAERO [NH3+]Cc1nnc(SCc2ccsc2)n1C1CC1 ZINC000071376257 176141281 /nfs/dbraw/zinc/14/12/81/176141281.db2.gz MWERMLCYJFUIKO-UHFFFAOYSA-N 1 0 266.395 2.426 10 0 CEAERO CCNc1ccnc(C(=O)NCC[N@H+](C)C2CCCC2)c1 ZINC000071379990 176143992 /nfs/dbraw/zinc/14/39/92/176143992.db2.gz LFEQAHAOGNRBEW-UHFFFAOYSA-N 1 0 290.411 2.118 10 0 CEAERO CCNc1ncccc1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000071379992 176144522 /nfs/dbraw/zinc/14/45/22/176144522.db2.gz LIRASMJNCSGDHF-UHFFFAOYSA-N 1 0 290.411 2.118 10 0 CEAERO Cc1ncn(-c2nc3ccccc3cc2C(N)=[NH2+])c1C ZINC000071390286 176148482 /nfs/dbraw/zinc/14/84/82/176148482.db2.gz FZQLFEHGAQZPPN-UHFFFAOYSA-N 1 0 265.320 2.321 10 0 CEAERO CC(C)(C)[C@@H]([NH3+])c1nc(-c2ccccc2)cc(=O)[nH]1 ZINC000071396838 176150373 /nfs/dbraw/zinc/15/03/73/176150373.db2.gz PNPVHUHBTRKQKP-ZDUSSCGKSA-N 1 0 257.337 2.483 10 0 CEAERO Cc1cc(NC(=O)CC[C@H]([NH3+])c2ccccc2)on1 ZINC000071399999 176152035 /nfs/dbraw/zinc/15/20/35/176152035.db2.gz AMMBKLQKLVCBGH-LBPRGKRZSA-N 1 0 259.309 2.402 10 0 CEAERO CCCCN(CCO)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000071400754 176153216 /nfs/dbraw/zinc/15/32/16/176153216.db2.gz FAPFDOWVRDFCNR-OAHLLOKOSA-N 1 0 278.396 2.088 10 0 CEAERO CC[C@@H](C)NC(=O)[C@H](C)Oc1ccc(C)cc1C[NH3+] ZINC000071403374 176154595 /nfs/dbraw/zinc/15/45/95/176154595.db2.gz SNDDMPUXBSGOTH-NEPJUHHUSA-N 1 0 264.369 2.136 10 0 CEAERO C[NH2+]Cc1cc(C)ccc1OCCCC(=O)OC ZINC000071403565 176154601 /nfs/dbraw/zinc/15/46/01/176154601.db2.gz MMEVAVMYYUVEAD-UHFFFAOYSA-N 1 0 251.326 2.046 10 0 CEAERO CC[NH2+]Cc1cc(C)ccc1OCc1ncccn1 ZINC000071403896 176155432 /nfs/dbraw/zinc/15/54/32/176155432.db2.gz QVSXSQQZIWVHJM-UHFFFAOYSA-N 1 0 257.337 2.474 10 0 CEAERO CC[C@@H](Oc1ccc(C)cc1C[NH2+]C(C)C)C(N)=O ZINC000071406568 176156000 /nfs/dbraw/zinc/15/60/00/176156000.db2.gz SXMCMWPENHGKMX-CYBMUJFWSA-N 1 0 264.369 2.136 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc(C)ccc1OCC(=O)N1CCCC1 ZINC000071412355 176157499 /nfs/dbraw/zinc/15/74/99/176157499.db2.gz BEIZMHVGGGIYNZ-OAHLLOKOSA-N 1 0 290.407 2.276 10 0 CEAERO Cc1ccncc1NC(=O)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000071414219 176159206 /nfs/dbraw/zinc/15/92/06/176159206.db2.gz MLGYXEBDIIXMOH-FRRDWIJNSA-N 1 0 259.353 2.249 10 0 CEAERO C[N@H+](CCc1ccncc1)CCc1cccc(N)c1 ZINC000071426134 176161852 /nfs/dbraw/zinc/16/18/52/176161852.db2.gz OIFSYPIYRAKBAW-UHFFFAOYSA-N 1 0 255.365 2.381 10 0 CEAERO CN(C)Cc1nc2ccccc2n1CCC[NH+](C)C ZINC000071502841 176192941 /nfs/dbraw/zinc/19/29/41/176192941.db2.gz HJQVGDQEWAGSJH-UHFFFAOYSA-N 1 0 260.385 2.050 10 0 CEAERO Cc1cc2c(nc(C)n(CC[NH+]3CCCC3)c2=O)s1 ZINC000071527832 176194303 /nfs/dbraw/zinc/19/43/03/176194303.db2.gz UNXMTWXHEWZQKE-UHFFFAOYSA-N 1 0 277.393 2.171 10 0 CEAERO Cc1cc2c(nc(C)n(CCC[NH+](C)C)c2=O)s1 ZINC000071527848 176194434 /nfs/dbraw/zinc/19/44/34/176194434.db2.gz JNZORBNPCHGZFW-UHFFFAOYSA-N 1 0 265.382 2.027 10 0 CEAERO C[NH2+]Cc1ncc(-c2ccc3c(c2)OCCO3)s1 ZINC000071588641 176217089 /nfs/dbraw/zinc/21/70/89/176217089.db2.gz CGHXXZWMUZOEQZ-UHFFFAOYSA-N 1 0 262.334 2.301 10 0 CEAERO CCCOc1ccc([C@H](C)CN2CC[NH2+]CC2)cc1 ZINC000071594597 176217551 /nfs/dbraw/zinc/21/75/51/176217551.db2.gz OZKJLCIMSSUDCB-CQSZACIVSA-N 1 0 262.397 2.484 10 0 CEAERO COc1cc([C@H](O)[C@H](C)[NH2+]C(C)C)c(OC)cc1C ZINC000071599191 176223364 /nfs/dbraw/zinc/22/33/64/176223364.db2.gz LBPOHGQHJRELGZ-XHDPSFHLSA-N 1 0 267.369 2.432 10 0 CEAERO O[C@]1(Cc2cccc(Br)c2)CCC[NH2+]C1 ZINC000071601332 176228204 /nfs/dbraw/zinc/22/82/04/176228204.db2.gz CBOGOKGSUDGFDG-LBPRGKRZSA-N 1 0 270.170 2.106 10 0 CEAERO [NH3+]CCn1cnc(-c2ccc(Br)s2)c1 ZINC000071611489 176231793 /nfs/dbraw/zinc/23/17/93/176231793.db2.gz SMCRQVMQXINGDN-UHFFFAOYSA-N 1 0 272.171 2.333 10 0 CEAERO O[C@@H]1CCC[C@H]1[NH+]1CCC(c2nccs2)CC1 ZINC000656698740 415817769 /nfs/dbraw/zinc/81/77/69/415817769.db2.gz AZTZBRPQIBIFGH-VXGBXAGGSA-N 1 0 252.383 2.236 10 0 CEAERO C[C@@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)c1ccc(S(N)(=O)=O)cc1 ZINC000660174113 415915956 /nfs/dbraw/zinc/91/59/56/415915956.db2.gz WRAHMIYNORXJBE-MHDGFBEUSA-N 1 0 294.420 2.031 10 0 CEAERO CC[C@@H]([NH2+]C)C(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000662497821 415864395 /nfs/dbraw/zinc/86/43/95/415864395.db2.gz YPGDYFUTCORCJW-GXFFZTMASA-N 1 0 252.333 2.309 10 0 CEAERO CO[C@H](CNC(=O)[C@@]1(C)CCCC[NH2+]1)C1CCCCC1 ZINC000662733764 415947871 /nfs/dbraw/zinc/94/78/71/415947871.db2.gz MWQYYSJLXNVSPG-GDBMZVCRSA-N 1 0 282.428 2.230 10 0 CEAERO CC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000662734327 415949051 /nfs/dbraw/zinc/94/90/51/415949051.db2.gz PTMPIJIYGWSELH-FLTXBFBQSA-N 1 0 250.386 2.308 10 0 CEAERO C[NH2+]CCOCCc1cccc(Br)c1 ZINC000076311753 176981393 /nfs/dbraw/zinc/98/13/93/176981393.db2.gz DCBXTRCRBDQEEO-UHFFFAOYSA-N 1 0 258.159 2.228 10 0 CEAERO CC(C)CNC(=O)[C@@H](CC[NH3+])c1cccc(F)c1 ZINC000076656547 177046112 /nfs/dbraw/zinc/04/61/12/177046112.db2.gz PMOXIYWILSXCCH-ZDUSSCGKSA-N 1 0 252.333 2.030 10 0 CEAERO CCNC(=O)CC[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000076659026 177047975 /nfs/dbraw/zinc/04/79/75/177047975.db2.gz NBGPKZOMIQBNHM-LLVKDONJSA-N 1 0 254.761 2.299 10 0 CEAERO COc1cccc(OC[C@@H](C[NH3+])c2cccnc2)c1 ZINC000076666170 177051176 /nfs/dbraw/zinc/05/11/76/177051176.db2.gz LRRJONAQHPYIKX-CYBMUJFWSA-N 1 0 258.321 2.212 10 0 CEAERO Cc1ccc([C@@H](C[NH3+])CCC(=O)NC2CC2)c(C)c1 ZINC000076671179 177053595 /nfs/dbraw/zinc/05/35/95/177053595.db2.gz WVXWNUJSFFETSA-CYBMUJFWSA-N 1 0 260.381 2.405 10 0 CEAERO c1ccc(C[N@@H+]2CC[C@@H](Nc3cncnc3)C2)cc1 ZINC000076695194 177059777 /nfs/dbraw/zinc/05/97/77/177059777.db2.gz YAMLEEFAXDCNAA-CQSZACIVSA-N 1 0 254.337 2.163 10 0 CEAERO C[NH2+][C@@H](C)c1cn2ccc(Br)cc2n1 ZINC000076792942 177097878 /nfs/dbraw/zinc/09/78/78/177097878.db2.gz CSCMLYJUTALYPJ-ZETCQYMHSA-N 1 0 254.131 2.377 10 0 CEAERO CCCCCS(=O)(=O)Cc1cccc(C[NH3+])c1 ZINC000076981366 177137429 /nfs/dbraw/zinc/13/74/29/177137429.db2.gz LOQILIPSLPHGSV-UHFFFAOYSA-N 1 0 255.383 2.250 10 0 CEAERO COC[C@H](C)n1nc(C)c(C[NH2+]CC(C)C)c1C ZINC000078627590 177362109 /nfs/dbraw/zinc/36/21/09/177362109.db2.gz CGTSYNFTMOQRSF-NSHDSACASA-N 1 0 253.390 2.453 10 0 CEAERO Cc1cc2ncc(C[NH2+]C[C@]3(O)CCC[C@H](C)C3)cn2n1 ZINC000078638666 177363650 /nfs/dbraw/zinc/36/36/50/177363650.db2.gz MASPACIYOBFFNA-LRDDRELGSA-N 1 0 288.395 2.069 10 0 CEAERO CC(C)(C)[NH2+]CC(=O)Nc1ccc(-c2cc(=O)[nH][nH]2)cc1 ZINC000078641268 177364267 /nfs/dbraw/zinc/36/42/67/177364267.db2.gz KMADZXCBTZQDEZ-UHFFFAOYSA-N 1 0 288.351 2.109 10 0 CEAERO C[N@H+](Cc1cc(Cl)cc2c1OCOC2)CC(C)(C)O ZINC000078779390 177386971 /nfs/dbraw/zinc/38/69/71/177386971.db2.gz VNNZPBZZSMBOPX-UHFFFAOYSA-N 1 0 285.771 2.409 10 0 CEAERO O=C(OCc1ccccc1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000079034776 177418940 /nfs/dbraw/zinc/41/89/40/177418940.db2.gz HEZCGTMULXDKLA-ZIAGYGMSSA-N 1 0 260.337 2.007 10 0 CEAERO [NH3+][C@H](CC(=O)Nc1ccccc1O)c1ccccc1 ZINC000079052534 177422515 /nfs/dbraw/zinc/42/25/15/177422515.db2.gz KJOCSXCAUYEELZ-GFCCVEGCSA-N 1 0 256.305 2.421 10 0 CEAERO CC[C@H](CC[NH3+])CCC(=O)Nc1cccc(C(=O)NC)c1 ZINC000079212224 177447850 /nfs/dbraw/zinc/44/78/50/177447850.db2.gz ZWLHSOJGZCGBMG-LBPRGKRZSA-N 1 0 291.395 2.140 10 0 CEAERO Cc1cccc(-c2noc([C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3[NH3+])n2)n1 ZINC000079559247 177520080 /nfs/dbraw/zinc/52/00/80/177520080.db2.gz WNVCKLCDLYOPNG-URBCHYCLSA-N 1 0 270.336 2.281 10 0 CEAERO CCO[C@@H](C[NH3+])CN1CC[C@@H](C(C)(C)C)CCC1=O ZINC000079281757 177463301 /nfs/dbraw/zinc/46/33/01/177463301.db2.gz VEWSFUJAPTXANY-STQMWFEESA-N 1 0 270.417 2.025 10 0 CEAERO COC(=O)[C@@H](N)CC[N@@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000079396864 177477101 /nfs/dbraw/zinc/47/71/01/177477101.db2.gz DADBHPAQALHNHR-OLZOCXBDSA-N 1 0 270.417 2.025 10 0 CEAERO CC[NH2+][C@@](CSc1ncccc1Cl)(C(N)=O)C1CC1 ZINC000079448811 177492094 /nfs/dbraw/zinc/49/20/94/177492094.db2.gz NGQDUXRRLFNSRX-CYBMUJFWSA-N 1 0 299.827 2.071 10 0 CEAERO Cc1noc(-c2ccccc2NC(=O)[C@]2(C)CCC[NH2+]2)n1 ZINC000079513276 177510735 /nfs/dbraw/zinc/51/07/35/177510735.db2.gz IOQQEUQWEPKVPH-HNNXBMFYSA-N 1 0 286.335 2.126 10 0 CEAERO CCN(C(=O)[C@]1(C)CCC[NH2+]1)c1cccc(F)c1 ZINC000079520700 177514377 /nfs/dbraw/zinc/51/43/77/177514377.db2.gz MZQTYBXWIYFNQC-AWEZNQCLSA-N 1 0 250.317 2.321 10 0 CEAERO CCC[C@@H](COC)[NH2+]C[C@H](O)COc1cc(C)ccc1C ZINC000079743937 177549480 /nfs/dbraw/zinc/54/94/80/177549480.db2.gz PIYFZCPZRAAQNN-HOTGVXAUSA-N 1 0 295.423 2.448 10 0 CEAERO CC[C@@](C)(C[NH3+])N(C)C(=O)Nc1ccc(OC)cc1 ZINC000079869525 177573678 /nfs/dbraw/zinc/57/36/78/177573678.db2.gz KREWOIFVGVLXHD-AWEZNQCLSA-N 1 0 265.357 2.286 10 0 CEAERO CC[C@@](C)(C[NH3+])N(C)C(=O)Nc1cccc(F)c1 ZINC000079869515 177574020 /nfs/dbraw/zinc/57/40/20/177574020.db2.gz CHNGEVPNDUOFGJ-ZDUSSCGKSA-N 1 0 253.321 2.417 10 0 CEAERO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCC3(CC3(F)F)CC2)C1 ZINC000405101331 419402426 /nfs/dbraw/zinc/40/24/26/419402426.db2.gz HWINYASBDXPGIM-WDEREUQCSA-N 1 0 272.339 2.152 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000136354947 419444911 /nfs/dbraw/zinc/44/49/11/419444911.db2.gz OQHFDERBCDAKAB-CYBMUJFWSA-N 1 0 272.352 2.389 10 0 CEAERO CCC(=O)Nc1ccc(NC(=O)C[C@@H]([NH3+])C(C)C)cc1 ZINC000136347984 419445215 /nfs/dbraw/zinc/44/52/15/419445215.db2.gz YCSOGHXPSHYIHB-CYBMUJFWSA-N 1 0 277.368 2.347 10 0 CEAERO COc1ccc(OC)c([C@@H](C)NC(=O)C[C@@H]([NH3+])C(C)C)c1 ZINC000136348738 419445469 /nfs/dbraw/zinc/44/54/69/419445469.db2.gz BXRDQSLCFCERLI-BXUZGUMPSA-N 1 0 294.395 2.254 10 0 CEAERO Cc1cc([C@@H]2CCCN2C(=O)C[C@H]([NH3+])C(C)C)on1 ZINC000136401299 419446215 /nfs/dbraw/zinc/44/62/15/419446215.db2.gz MBLRBVKSWLDLCG-RYUDHWBXSA-N 1 0 265.357 2.020 10 0 CEAERO COc1ccccc1[C@H](C)NC(=O)C[C@@H]([NH3+])C(C)C ZINC000136433341 419447183 /nfs/dbraw/zinc/44/71/83/419447183.db2.gz LWTGTRYBFHOLSH-WCQYABFASA-N 1 0 264.369 2.246 10 0 CEAERO CCN(Cc1cccs1)C(=O)C[C@@H]([NH3+])C(C)C ZINC000136385195 419447700 /nfs/dbraw/zinc/44/77/00/419447700.db2.gz CQPLIYJDKMIJGV-GFCCVEGCSA-N 1 0 254.399 2.470 10 0 CEAERO CN(C)C[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)c1ccccc1 ZINC000667770091 419795756 /nfs/dbraw/zinc/79/57/56/419795756.db2.gz OMTFDPQIHLWBMA-IKGGRYGDSA-N 1 0 274.408 2.446 10 0 CEAERO CC(C)C1(C[NH2+]C[C@H](O)COCc2ccco2)CC1 ZINC000232675882 270314894 /nfs/dbraw/zinc/31/48/94/270314894.db2.gz AKTVKLYWDUNYAC-ZDUSSCGKSA-N 1 0 267.369 2.183 10 0 CEAERO C[C@H]1CN2CCCC[C@@H]2C[N@@H+]1Cc1cccc(N)c1 ZINC000094440903 262384859 /nfs/dbraw/zinc/38/48/59/262384859.db2.gz PIYFGHNOJZSHCS-XJKSGUPXSA-N 1 0 259.397 2.327 10 0 CEAERO CC(C)CC1(CNC(=O)[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000392004400 265040964 /nfs/dbraw/zinc/04/09/64/265040964.db2.gz OOOAVPUAWNLNMV-STQMWFEESA-N 1 0 252.402 2.317 10 0 CEAERO C[C@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)[C@@H]1CCCO1 ZINC000044276749 270229166 /nfs/dbraw/zinc/22/91/66/270229166.db2.gz DLWZADLYDXLQFZ-WFASDCNBSA-N 1 0 291.395 2.437 10 0 CEAERO CC/C=C/CC[N@H+]1CCN(CCOCC)[C@H](C)C1 ZINC000184520443 270243585 /nfs/dbraw/zinc/24/35/85/270243585.db2.gz WGIFGJZZLWVABM-LQYUOIDQSA-N 1 0 254.418 2.385 10 0 CEAERO COc1ccc([C@@H](C)C[NH2+]Cc2cc(C(N)=O)co2)cc1 ZINC000189417733 270262143 /nfs/dbraw/zinc/26/21/43/270262143.db2.gz QWPYFHBHRLGXFH-NSHDSACASA-N 1 0 288.347 2.280 10 0 CEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C[C@@H]1CCCCC1(F)F ZINC000393092778 270341208 /nfs/dbraw/zinc/34/12/08/270341208.db2.gz MDPJLFUSBNIIJK-DCAQKATOSA-N 1 0 260.328 2.069 10 0 CEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CC/C=C/c1ccccc1 ZINC000392927456 270341626 /nfs/dbraw/zinc/34/16/26/270341626.db2.gz DEGZQZUSRUOPLV-ZPZWRKOSSA-N 1 0 258.365 2.347 10 0 CEAERO CC[C@H](C[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O)OC ZINC000397063619 270351258 /nfs/dbraw/zinc/35/12/58/270351258.db2.gz RYJZPQBZEKKCTD-KBUPBQIOSA-N 1 0 255.402 2.427 10 0 CEAERO Cc1csc(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)n1 ZINC000398713286 270361608 /nfs/dbraw/zinc/36/16/08/270361608.db2.gz PJGVQVNJKWVHAB-SRVKXCTJSA-N 1 0 252.383 2.044 10 0 CEAERO O=C(CC[N@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1)c1ccccc1 ZINC000398764150 270363086 /nfs/dbraw/zinc/36/30/86/270363086.db2.gz IRQSYFDMXFRUSK-HRCADAONSA-N 1 0 273.376 2.352 10 0 CEAERO CC[C@@H](O)C[NH+]1CCN([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000177734819 273724652 /nfs/dbraw/zinc/72/46/52/273724652.db2.gz USJKTNMMVWHQOU-NVXWUHKLSA-N 1 0 292.398 2.202 10 0 CEAERO COC(=O)C1CCC([NH2+][C@@H]2COc3ccccc32)CC1 ZINC000192445202 273977162 /nfs/dbraw/zinc/97/71/62/273977162.db2.gz FHUXTCTXHVZLHQ-ORHYLEIMSA-N 1 0 275.348 2.442 10 0 CEAERO C[C@@H]([NH3+])[C@H]1CCN(c2cc(C(F)(F)F)ccn2)C1 ZINC000127334313 274241007 /nfs/dbraw/zinc/24/10/07/274241007.db2.gz SPTOQSWFABEDAH-BDAKNGLRSA-N 1 0 259.275 2.274 10 0 CEAERO C[C@@H]1CN(Cc2ccccc2C(F)(F)F)C[C@@H]1[NH3+] ZINC000235373790 274356247 /nfs/dbraw/zinc/35/62/47/274356247.db2.gz DYIIGBQAFWVBLV-SKDRFNHKSA-N 1 0 258.287 2.484 10 0 CEAERO C[C@@H]1CC[C@H](NC(=O)CC[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000261581591 287771078 /nfs/dbraw/zinc/77/10/78/287771078.db2.gz QTMDGIQFFUKGBV-RQJABVFESA-N 1 0 252.402 2.460 10 0 CEAERO Cc1cc(N2CC[C@H]([NH+](C)C)C2)ncc1Br ZINC000126784128 274711007 /nfs/dbraw/zinc/71/10/07/274711007.db2.gz OPUUQZQYIZZDBM-JTQLQIEISA-N 1 0 284.201 2.293 10 0 CEAERO Cc1cc(N[C@H]2CCC[NH2+]C2)nc(-c2ccncc2)n1 ZINC000045955130 274719847 /nfs/dbraw/zinc/71/98/47/274719847.db2.gz QBIZZBUNDKQAPF-ZDUSSCGKSA-N 1 0 269.352 2.011 10 0 CEAERO Cc1sc2nc(C)nc(N3C[C@H](C)[C@H]([NH3+])C3)c2c1C ZINC000261624207 274878866 /nfs/dbraw/zinc/87/88/66/274878866.db2.gz VATAIXYXNBKDCW-WRWORJQWSA-N 1 0 276.409 2.400 10 0 CEAERO CC(C)[C@H]1CCCN(C(=O)[C@@H]([NH3+])C2CCOCC2)CC1 ZINC000261967671 276026096 /nfs/dbraw/zinc/02/60/96/276026096.db2.gz LJFOISPFNKYWDH-ZFWWWQNUSA-N 1 0 282.428 2.025 10 0 CEAERO CCC[C@@H]1C[C@H](C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CCO1 ZINC000245700430 276033411 /nfs/dbraw/zinc/03/34/11/276033411.db2.gz LRJNUBKYUGXFIS-OWCLPIDISA-N 1 0 294.439 2.278 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000245438841 276181246 /nfs/dbraw/zinc/18/12/46/276181246.db2.gz YPKPDYKWQINBLX-BYNSBNAKSA-N 1 0 264.413 2.365 10 0 CEAERO CC1CCC(O)(C[NH+]2CC(C(F)(F)F)C2)CC1 ZINC000334139539 276191760 /nfs/dbraw/zinc/19/17/60/276191760.db2.gz AFXPHIOMSGTPMB-UHFFFAOYSA-N 1 0 251.292 2.422 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+]CC2CCCCC2)C1 ZINC000263481804 276315412 /nfs/dbraw/zinc/31/54/12/276315412.db2.gz GMESEVCJHAAYDS-UHFFFAOYSA-N 1 0 268.401 2.094 10 0 CEAERO CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CCOc2ccccc21 ZINC000183475848 276808867 /nfs/dbraw/zinc/80/88/67/276808867.db2.gz BGMODVVKRILAPQ-AWEZNQCLSA-N 1 0 297.358 2.401 10 0 CEAERO C1C[C@@H]([NH2+]C2CCCCC2)[C@H]([C@@H]2COCCN2)C1 ZINC000261918328 276852556 /nfs/dbraw/zinc/85/25/56/276852556.db2.gz JXXHLSPEDWPDEU-KFWWJZLASA-N 1 0 252.402 2.066 10 0 CEAERO COC(=O)[C@H]1C[C@H]2c3cccc4[nH]cc(c43)C[C@H]2[N@H+](C)C1 ZINC000029483536 277139692 /nfs/dbraw/zinc/13/96/92/277139692.db2.gz OSKZYLPFYNARRX-CORIIIEPSA-N 1 0 284.359 2.301 10 0 CEAERO CC(C)(C)c1ncc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)cn1 ZINC000336829120 277276057 /nfs/dbraw/zinc/27/60/57/277276057.db2.gz GLRWKYTUHRYORG-KBPBESRZSA-N 1 0 277.412 2.415 10 0 CEAERO C[C@@H]([NH2+]CC1CCC(C)CC1)C(=O)N1CCCC1 ZINC000058790357 277617628 /nfs/dbraw/zinc/61/76/28/277617628.db2.gz CREHQELWRSMAOC-ROKHWSDSSA-N 1 0 252.402 2.413 10 0 CEAERO C[C@@H]1CCCN(c2ccc(OC(F)F)cn2)[C@@H]1C[NH3+] ZINC000262140128 277698566 /nfs/dbraw/zinc/69/85/66/277698566.db2.gz DVWHOUDDNSDWPU-MWLCHTKSSA-N 1 0 271.311 2.247 10 0 CEAERO C/C(=C/c1nc([C@@H]2C[NH2+]CCN2C)no1)C(C)(C)C ZINC000263229788 277729100 /nfs/dbraw/zinc/72/91/00/277729100.db2.gz NFMPEHJCWDNGAW-IEHMKBBKSA-N 1 0 264.373 2.095 10 0 CEAERO C[C@@H]1CN(C(=O)N2CCc3sccc3C2)C[C@@]1(C)C[NH3+] ZINC000335286501 277826351 /nfs/dbraw/zinc/82/63/51/277826351.db2.gz VGUFWDQBSZEKOD-IAQYHMDHSA-N 1 0 293.436 2.143 10 0 CEAERO COc1ccc2c(c1)CCC[C@H]2NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000262162296 277950805 /nfs/dbraw/zinc/95/08/05/277950805.db2.gz JHZZNEIGAQEZIN-BDJLRTHQSA-N 1 0 288.391 2.044 10 0 CEAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(C)C2=O)CC(C)(C)C1 ZINC000344600992 277985931 /nfs/dbraw/zinc/98/59/31/277985931.db2.gz JGGFZMXUXKIQJC-JHJVBQTASA-N 1 0 252.402 2.412 10 0 CEAERO CS[C@@H]1CCC[C@@H](NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000172341661 278144099 /nfs/dbraw/zinc/14/40/99/278144099.db2.gz CJCOWOOXOSBHPH-MGPQQGTHSA-N 1 0 297.468 2.150 10 0 CEAERO C[C@H]1[C@H]([NH2+]Cc2ncc[nH]2)CCCN1C(=O)OC(C)(C)C ZINC000189524595 278543008 /nfs/dbraw/zinc/54/30/08/278543008.db2.gz POIBLCPLQOIWSS-NWDGAFQWSA-N 1 0 294.399 2.287 10 0 CEAERO C[C@@H]1CC[C@H]([NH2+]CC2(O)CCCCC2)[C@H](n2cncn2)C1 ZINC000328887822 278609307 /nfs/dbraw/zinc/60/93/07/278609307.db2.gz OXRZJNQXTSSZCN-QLFBSQMISA-N 1 0 292.427 2.293 10 0 CEAERO C[C@@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2)C[C@H]1[NH3+] ZINC000235359284 278681522 /nfs/dbraw/zinc/68/15/22/278681522.db2.gz JXTKZTQPTJUAAF-RDDDGLTNSA-N 1 0 273.163 2.413 10 0 CEAERO Cc1ccc([C@H]([NH2+]CCn2cncn2)C2CC2)cc1 ZINC000359299447 278858288 /nfs/dbraw/zinc/85/82/88/278858288.db2.gz DWLMDMNVEIHDAA-HNNXBMFYSA-N 1 0 256.353 2.327 10 0 CEAERO CC(C)C[C@@H]1CCCN(C(=O)[C@H](C)C2C[NH2+]C2)C1 ZINC000262344385 279023014 /nfs/dbraw/zinc/02/30/14/279023014.db2.gz FWYNVNXAZLGEKQ-OLZOCXBDSA-N 1 0 252.402 2.127 10 0 CEAERO CC(C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261661490 279029542 /nfs/dbraw/zinc/02/95/42/279029542.db2.gz FEDWPHUARKHXAE-BFHYXJOUSA-N 1 0 252.402 2.256 10 0 CEAERO C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000190494435 279040644 /nfs/dbraw/zinc/04/06/44/279040644.db2.gz YCBDIBJSWGGLPG-IMJJTQAJSA-N 1 0 290.407 2.221 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000345359252 279133906 /nfs/dbraw/zinc/13/39/06/279133906.db2.gz XOAKAZCJSKPCSE-MGPQQGTHSA-N 1 0 264.417 2.455 10 0 CEAERO C[C@H](C[NH2+][C@H]1c2ccccc2C[C@H]1C)N1CCOCC1 ZINC000123334250 279354854 /nfs/dbraw/zinc/35/48/54/279354854.db2.gz VJWMWXDZYLXRTL-CKEIUWERSA-N 1 0 274.408 2.230 10 0 CEAERO C[C@H](Cc1ccccc1)C[N@H+]1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000248618630 279380884 /nfs/dbraw/zinc/38/08/84/279380884.db2.gz ZQMCRYPJURWHSG-ZACQAIPSSA-N 1 0 290.451 2.252 10 0 CEAERO [NH3+][C@H]1CCCN(C(=O)C2=Cc3cc(Cl)ccc3OC2)C1 ZINC000158532835 279686714 /nfs/dbraw/zinc/68/67/14/279686714.db2.gz FUMODRMDOPWURL-ZDUSSCGKSA-N 1 0 292.766 2.066 10 0 CEAERO COc1ccc(C[NH+](C)C)cc1NCc1cnn(C)c1C ZINC000093649557 279712606 /nfs/dbraw/zinc/71/26/06/279712606.db2.gz CLCYMUXEGCHTMQ-UHFFFAOYSA-N 1 0 288.395 2.411 10 0 CEAERO C[C@H]1CCN(c2cnc3ccccc3n2)C[C@H]1C[NH3+] ZINC000253200614 279729543 /nfs/dbraw/zinc/72/95/43/279729543.db2.gz XGQPVCNZRNCTRB-NWDGAFQWSA-N 1 0 256.353 2.051 10 0 CEAERO C[C@H]1CCN(c2cncc(Br)c2)[C@H](C[NH3+])C1 ZINC000261580724 279729549 /nfs/dbraw/zinc/72/95/49/279729549.db2.gz NCPWEHFZBQXBNK-ONGXEEELSA-N 1 0 284.201 2.408 10 0 CEAERO C[C@H]1CN(c2ccc(Br)cn2)[C@@H](C)C[NH2+]1 ZINC000083119013 279880419 /nfs/dbraw/zinc/88/04/19/279880419.db2.gz GCYJDLJCCUBCNI-IUCAKERBSA-N 1 0 270.174 2.031 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CCCN2C)c1C ZINC000154616633 280092944 /nfs/dbraw/zinc/09/29/44/280092944.db2.gz WMLPPNAYBXHVSK-RISCZKNCSA-N 1 0 264.417 2.265 10 0 CEAERO C[C@](O)(C[N@@H+]1CC[C@H](N2CCCCC2)C1)c1ccccc1 ZINC000062982027 280142504 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Cc1c(C[NH2+][C@H]2CCc3c2cccc3O)cnn1C ZINC000162007036 280227903 /nfs/dbraw/zinc/22/79/03/280227903.db2.gz IJRFUYJRFWSZIF-AWEZNQCLSA-N 1 0 257.337 2.211 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2C[C@H]2C)C1 ZINC000246409499 280292001 /nfs/dbraw/zinc/29/20/01/280292001.db2.gz QODCSZMRCBTYGB-MCIONIFRSA-N 1 0 267.417 2.062 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000246457694 280294666 /nfs/dbraw/zinc/29/46/66/280294666.db2.gz NDDXMPIAFDAMOO-HZSPNIEDSA-N 1 0 252.402 2.125 10 0 CEAERO C[C@@H]1CCC[C@@H](CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000246695929 280306468 /nfs/dbraw/zinc/30/64/68/280306468.db2.gz AOZJSTAAIVNLAL-KFWWJZLASA-N 1 0 279.428 2.302 10 0 CEAERO C(c1nc(C2CCCC2)no1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246723497 280308014 /nfs/dbraw/zinc/30/80/14/280308014.db2.gz OFWFICLGXYUXBM-ZDUSSCGKSA-N 1 0 276.384 2.007 10 0 CEAERO C[C@H](O)CN1CCN(C(=O)[C@@H](C)CC2CCCC2)C[C@H]1C ZINC000246721498 280308022 /nfs/dbraw/zinc/30/80/22/280308022.db2.gz LKXYCYXELGCLEN-ZNMIVQPWSA-N 1 0 296.455 2.116 10 0 CEAERO Cc1cc(Br)cnc1NCC(C)(C)[NH3+] ZINC000168397090 280312481 /nfs/dbraw/zinc/31/24/81/280312481.db2.gz CLQJDCBWVSESNG-UHFFFAOYSA-N 1 0 258.163 2.302 10 0 CEAERO Cc1cc(Br)cnc1NC[C@@H]1CCC[NH2+]1 ZINC000086708453 280312592 /nfs/dbraw/zinc/31/25/92/280312592.db2.gz IHXCSXIQQAYFIW-JTQLQIEISA-N 1 0 270.174 2.316 10 0 CEAERO CCC[C@H](C)CC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000246981247 280316856 /nfs/dbraw/zinc/31/68/56/280316856.db2.gz UKYDYMVZLFSWPD-SOUVJXGZSA-N 1 0 284.444 2.116 10 0 CEAERO O=S1(=O)CC(CC[N@@H+]2CCCC23CCCCC3)C1 ZINC000334555386 280342115 /nfs/dbraw/zinc/34/21/15/280342115.db2.gz DGEKIIRBCOEODW-UHFFFAOYSA-N 1 0 271.426 2.220 10 0 CEAERO Cc1ccc(CN(C)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)o1 ZINC000249282679 280391083 /nfs/dbraw/zinc/39/10/83/280391083.db2.gz NEAVOZRSSJSJRX-IUODEOHRSA-N 1 0 293.411 2.458 10 0 CEAERO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@H]1CCc2ncnn2C1 ZINC000246473575 280546134 /nfs/dbraw/zinc/54/61/34/280546134.db2.gz QRCRMYXMLAKCTL-MQYQWHSLSA-N 1 0 262.401 2.397 10 0 CEAERO Cc1cc(O)c(C(C)C)cc1NC(=O)C[C@@H](C)[NH3+] ZINC000261810280 280634916 /nfs/dbraw/zinc/63/49/16/280634916.db2.gz GRCVVGMQNLCEDA-SNVBAGLBSA-N 1 0 250.342 2.500 10 0 CEAERO CC(C)c1ccccc1S(=O)(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000261720564 280646613 /nfs/dbraw/zinc/64/66/13/280646613.db2.gz JGXMYOYKRFGPCX-HNNXBMFYSA-N 1 0 296.436 2.169 10 0 CEAERO CC(C)=CCC[NH2+]C[C@@H](O)COCc1ccco1 ZINC000397821864 280684388 /nfs/dbraw/zinc/68/43/88/280684388.db2.gz HPZIWSGDDXSNAD-CYBMUJFWSA-N 1 0 253.342 2.103 10 0 CEAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)NC1CCCC1 ZINC000134760215 288290403 /nfs/dbraw/zinc/29/04/03/288290403.db2.gz OKMHSSXSRGONAJ-TZMCWYRMSA-N 1 0 265.401 2.197 10 0 CEAERO Cc1ccc(SCCC(=O)N2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC000423643218 281073785 /nfs/dbraw/zinc/07/37/85/281073785.db2.gz MGHJRAWLIHIQMU-TZMCWYRMSA-N 1 0 278.421 2.425 10 0 CEAERO CC(C)OCc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC000423650755 281073928 /nfs/dbraw/zinc/07/39/28/281073928.db2.gz UYKLPQDBJYPHGN-IUODEOHRSA-N 1 0 276.380 2.173 10 0 CEAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C[C@@H]1CCSC1 ZINC000300271122 288298979 /nfs/dbraw/zinc/29/89/79/288298979.db2.gz PVIGQWARCYNHIN-RDBSUJKOSA-N 1 0 254.443 2.298 10 0 CEAERO C[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1CCOC(C)(C)C ZINC000376514343 288294106 /nfs/dbraw/zinc/29/41/06/288294106.db2.gz YBHMTLPJLLMOQG-ZIAGYGMSSA-N 1 0 254.418 2.360 10 0 CEAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)OCC(F)(F)F ZINC000252662040 288297040 /nfs/dbraw/zinc/29/70/40/288297040.db2.gz SYLNSGJFFGIYKB-ZJUUUORDSA-N 1 0 280.290 2.244 10 0 CEAERO Cc1ccc2[nH+]ccc(NC[C@H]3CN(C)CCO3)c2c1 ZINC000185561486 281171341 /nfs/dbraw/zinc/17/13/41/281171341.db2.gz IGHWSBDICWJOII-ZDUSSCGKSA-N 1 0 271.364 2.286 10 0 CEAERO CC1(C)C[C@@H](NC(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)C(C)(C)O1 ZINC000334933866 281308790 /nfs/dbraw/zinc/30/87/90/281308790.db2.gz NTMGVKPNEFDOBC-VXGBXAGGSA-N 1 0 297.443 2.101 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C)cc1O ZINC000175437778 288310282 /nfs/dbraw/zinc/31/02/82/288310282.db2.gz KJHOYPWTFAIJNA-UONOGXRCSA-N 1 0 288.391 2.399 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@@H]1c1ccccc1 ZINC000111264108 288326109 /nfs/dbraw/zinc/32/61/09/288326109.db2.gz QGQNIIJZHUJGQQ-BPLDGKMQSA-N 1 0 258.365 2.206 10 0 CEAERO CN(C)C(=O)C1(c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000033606923 281900809 /nfs/dbraw/zinc/90/08/09/281900809.db2.gz KMWYAZOULFIPLF-UHFFFAOYSA-N 1 0 266.772 2.049 10 0 CEAERO Cc1nc(N2CCC([NH3+])CC2)ccc1Br ZINC000235982802 281921473 /nfs/dbraw/zinc/92/14/73/281921473.db2.gz RCNLWYNDHDYQQX-UHFFFAOYSA-N 1 0 270.174 2.080 10 0 CEAERO CCC[C@H](C(=O)N(C)CCc1ccccc1OC)[NH+](C)C ZINC000152590027 289093389 /nfs/dbraw/zinc/09/33/89/289093389.db2.gz MTNSSICDNQUSSX-OAHLLOKOSA-N 1 0 292.423 2.426 10 0 CEAERO CCCCOCCNC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000154731086 289153733 /nfs/dbraw/zinc/15/37/33/289153733.db2.gz UEQNIPVVPSLIBV-OAHLLOKOSA-N 1 0 299.459 2.223 10 0 CEAERO CCC[C@@H](NC[C@H](O)C[NH+]1CCCCC1)c1ccccn1 ZINC000158771854 289240384 /nfs/dbraw/zinc/24/03/84/289240384.db2.gz UREVRSFVLQSCEG-JKSUJKDBSA-N 1 0 291.439 2.359 10 0 CEAERO C[C@H](C(=O)NC[C@@H]1CCCC[C@H]1C(F)(F)F)C1C[NH2+]C1 ZINC000262484185 289354494 /nfs/dbraw/zinc/35/44/94/289354494.db2.gz ZYJZJNDAHHTBPM-JBLDHEPKSA-N 1 0 292.345 2.327 10 0 CEAERO C[NH+](C)[C@H]1CC[C@H](NC(=O)N2CCCC2(C)C)C1 ZINC000334459933 289393244 /nfs/dbraw/zinc/39/32/44/289393244.db2.gz TZFLMAAWTMZCQK-RYUDHWBXSA-N 1 0 253.390 2.053 10 0 CEAERO COc1cccc([C@H](C)C(=O)N2CCCC[C@H]2C[NH3+])c1 ZINC000130899928 295322757 /nfs/dbraw/zinc/32/27/57/295322757.db2.gz ODQOHDYKECNPAN-JSGCOSHPSA-N 1 0 276.380 2.139 10 0 CEAERO O=C(NC1CC[NH2+]CC1)[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000037921551 295623781 /nfs/dbraw/zinc/62/37/81/295623781.db2.gz XKOUXNHGTXNPNX-JKSUJKDBSA-N 1 0 288.391 2.023 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC2(CCCCC2)CC1 ZINC000111272636 297110438 /nfs/dbraw/zinc/11/04/38/297110438.db2.gz ZRPVDRYEWXOARD-ZIAGYGMSSA-N 1 0 264.413 2.415 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccccc2-n2cccn2)C1 ZINC000171077206 297474055 /nfs/dbraw/zinc/47/40/55/297474055.db2.gz GFVVYXQWVMOIDV-ZDUSSCGKSA-N 1 0 299.378 2.040 10 0 CEAERO C[C@H](C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1)C1C[NH2+]C1 ZINC000227141532 298174402 /nfs/dbraw/zinc/17/44/02/298174402.db2.gz QDICYCHWZFOULK-JMJZKYOTSA-N 1 0 278.318 2.079 10 0 CEAERO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CCC[NH2+][C@H]2C)c(C)c1 ZINC000189323620 301198708 /nfs/dbraw/zinc/19/87/08/301198708.db2.gz MOAIWMYCXXSSKN-UONOGXRCSA-N 1 0 296.436 2.031 10 0 CEAERO Cc1ccc(S(=O)(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])c(C)c1 ZINC000235634540 301680908 /nfs/dbraw/zinc/68/09/08/301680908.db2.gz NAIHDLXBXLXDOJ-GXTWGEPZSA-N 1 0 296.436 2.051 10 0 CEAERO Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1 ZINC000189135349 301694878 /nfs/dbraw/zinc/69/48/78/301694878.db2.gz BBGMJEGJIHDFDU-CQSZACIVSA-N 1 0 298.452 2.250 10 0 CEAERO [NH3+]C1CCN(C(=O)[C@@H]2CCCO[C@@H]2c2ccccc2)CC1 ZINC000037921465 303363137 /nfs/dbraw/zinc/36/31/37/303363137.db2.gz BQGRVIMKLLQXNW-HZPDHXFCSA-N 1 0 288.391 2.104 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1C(=O)[C@@H]1SCCc2ccccc21 ZINC000237840045 303395720 /nfs/dbraw/zinc/39/57/20/303395720.db2.gz BKTSKSFDBKYTSE-DZGCQCFKSA-N 1 0 290.432 2.357 10 0 CEAERO [NH3+][C@H](CNC(=O)[C@@H]1CCCO[C@@H]1c1ccccc1)C1CC1 ZINC000227673485 303481077 /nfs/dbraw/zinc/48/10/77/303481077.db2.gz BYWRGSDCPDXDPR-BZUAXINKSA-N 1 0 288.391 2.008 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)[C@H]2SCCc3ccccc32)C1 ZINC000173763160 312683147 /nfs/dbraw/zinc/68/31/47/312683147.db2.gz OCGOIAXZTVOWNA-ZFWWWQNUSA-N 1 0 290.432 2.180 10 0 CEAERO C[C@H]1CC[C@H](NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000502793807 313037039 /nfs/dbraw/zinc/03/70/39/313037039.db2.gz GZRULLHCIYUUGR-KBUPBQIOSA-N 1 0 279.428 2.443 10 0 CEAERO Cc1ccc2c(CC(=O)N3C[C@H](C)[C@H]([NH3+])C3)coc2c1 ZINC000572028200 314117029 /nfs/dbraw/zinc/11/70/29/314117029.db2.gz HMDTXXYLCWAMOL-SMDDNHRTSA-N 1 0 272.348 2.089 10 0 CEAERO CCc1cc2c(ncnc2NC[C@@H]2C[NH2+]CCCO2)s1 ZINC000390084755 321893117 /nfs/dbraw/zinc/89/31/17/321893117.db2.gz UALHDDOTTLUNHA-JTQLQIEISA-N 1 0 292.408 2.044 10 0 CEAERO Cc1cc(C[NH2+]CCN2CC=CCC2)cc(C)c1O ZINC000392185125 328984461 /nfs/dbraw/zinc/98/44/61/328984461.db2.gz CWLYNZNVQXMJHB-UHFFFAOYSA-N 1 0 260.381 2.361 10 0 CEAERO CO[C@H]1C[NH2+][C@@H](c2nc(-c3ccc(F)c(F)c3)no2)C1 ZINC000036888222 329521182 /nfs/dbraw/zinc/52/11/82/329521182.db2.gz MKDOLCIWTQSMJN-LDYMZIIASA-N 1 0 281.262 2.064 10 0 CEAERO CC(C)[NH2+]CCCS(=O)(=O)NC1CCCCCCC1 ZINC000049640972 519720893 /nfs/dbraw/zinc/72/08/93/519720893.db2.gz WNPJTIUWQQADIR-UHFFFAOYSA-N 1 0 290.473 2.407 10 0 CEAERO CC(C)[NH2+]Cc1nc(CN2CCOCC2(C)C)cs1 ZINC000052546003 519729203 /nfs/dbraw/zinc/72/92/03/519729203.db2.gz IMLWQWJYLWZDFQ-UHFFFAOYSA-N 1 0 283.441 2.252 10 0 CEAERO CC(C)[C@@H]1CC[C@@H]([NH3+])[C@H](N2CCOCC2(C)C)C1 ZINC000054555363 519803309 /nfs/dbraw/zinc/80/33/09/519803309.db2.gz FFBAIPJOJCSFQS-MGPQQGTHSA-N 1 0 254.418 2.249 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CCC[NH2+][C@@H]1COc2cc(OCCCC(=O)OC)ccc21 ZINC000062805071 520026960 /nfs/dbraw/zinc/02/69/60/520026960.db2.gz CMHGOXODAHXSRJ-CQSZACIVSA-N 1 0 293.363 2.452 10 0 CEAERO CC[NH2+]Cc1oc(CN2CCSCC2)cc1C ZINC000052443343 520027725 /nfs/dbraw/zinc/02/77/25/520027725.db2.gz KHUOEJVTXQUTER-UHFFFAOYSA-N 1 0 254.399 2.246 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N1CCCc2cc(OC)ccc21 ZINC000061273807 520062048 /nfs/dbraw/zinc/06/20/48/520062048.db2.gz YFRCSNCZVBGPGE-LBPRGKRZSA-N 1 0 276.380 2.363 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N(CCOC)Cc1ccccc1 ZINC000061271696 520062083 /nfs/dbraw/zinc/06/20/83/520062083.db2.gz LDBXYBOKVWIBNP-AWEZNQCLSA-N 1 0 278.396 2.050 10 0 CEAERO CCC[NH2+][C@H](C)c1ccc(O[C@H](CC)C(N)=O)c(OC)c1 ZINC000061675829 520065822 /nfs/dbraw/zinc/06/58/22/520065822.db2.gz OKNPXBNCDCXPJJ-DGCLKSJQSA-N 1 0 294.395 2.399 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)N[C@H](C)c1cc(C)oc1C ZINC000061274424 520067289 /nfs/dbraw/zinc/06/72/89/520067289.db2.gz DPQQEMKRSIMWGY-GXSJLCMTSA-N 1 0 252.358 2.462 10 0 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267.369 2.133 10 0 CEAERO CCN[C@@H](CC[N@H+](C)C(CC)CC)C(=O)OCC ZINC000062448803 520084462 /nfs/dbraw/zinc/08/44/62/520084462.db2.gz YHJLAQDNYOZKRJ-ZDUSSCGKSA-N 1 0 258.406 2.038 10 0 CEAERO CCC[NH2+][C@H](Cc1cnn(C)c1)Cc1csc(C)n1 ZINC000055295941 520087377 /nfs/dbraw/zinc/08/73/77/520087377.db2.gz KJSGKTYPEFEGEE-CYBMUJFWSA-N 1 0 278.425 2.338 10 0 CEAERO CCC[NH2+][C@H](c1ccc(OC)c(OC)c1)[C@@H]1COCCO1 ZINC000055300393 520091092 /nfs/dbraw/zinc/09/10/92/520091092.db2.gz XYMNCLFEAHWCPY-JKSUJKDBSA-N 1 0 295.379 2.160 10 0 CEAERO CCN[C@@H](CC[NH+]1[C@@H](C)CCC[C@@H]1C)C(=O)OCC ZINC000062443342 520091087 /nfs/dbraw/zinc/09/10/87/520091087.db2.gz PAYLCJXYEKVHAG-IHRRRGAJSA-N 1 0 270.417 2.181 10 0 CEAERO CCC[NH2+][C@H]1CCc2c1cccc2OCC(=O)N(C)C ZINC000062800051 520097993 /nfs/dbraw/zinc/09/79/93/520097993.db2.gz CBEGZCKXNXQYQW-AWEZNQCLSA-N 1 0 276.380 2.141 10 0 CEAERO CC[NH2+][C@@H](CN1CCN(C)C1=O)c1ccc(OCC)cc1 ZINC000052885532 520099237 /nfs/dbraw/zinc/09/92/37/520099237.db2.gz YQURJCGPZFCALK-HNNXBMFYSA-N 1 0 291.395 2.103 10 0 CEAERO CCCCCCOC[C@@H](O)C[NH2+][C@@H](CN(C)C)C(C)C ZINC000049204350 520100654 /nfs/dbraw/zinc/10/06/54/520100654.db2.gz YMTVWFUQNGUOHB-HOTGVXAUSA-N 1 0 288.476 2.120 10 0 CEAERO CC[NH2+][C@@H](Cc1cnn(C)c1)Cc1ccccc1C ZINC000050543190 520106397 /nfs/dbraw/zinc/10/63/97/520106397.db2.gz MEUFYDIGMCDNQQ-INIZCTEOSA-N 1 0 257.381 2.492 10 0 CEAERO CCOC[C@@H](O)COc1ccc2c(c1)CCC[C@@H]2[NH2+]C ZINC000069275772 520106444 /nfs/dbraw/zinc/10/64/44/520106444.db2.gz UKXWWOPWCCIBTK-CJNGLKHVSA-N 1 0 279.380 2.060 10 0 CEAERO CCCN[C@](C[N@H+](C)C(C)(C)CC)(C(=O)OC)C1CC1 ZINC000069446925 520118020 /nfs/dbraw/zinc/11/80/20/520118020.db2.gz QUFDBZLJPJDSGP-INIZCTEOSA-N 1 0 284.444 2.428 10 0 CEAERO CCCN[C@](C[N@H+](C)[C@@H](C)CC)(C(=O)OCC)C1CC1 ZINC000069096702 520118837 /nfs/dbraw/zinc/11/88/37/520118837.db2.gz RCTMQOPFISZYAF-BBRMVZONSA-N 1 0 284.444 2.428 10 0 CEAERO CCCN[C@](C[N@H+](CC)C1CCCCC1)(C(N)=O)C1CC1 ZINC000069091347 520120057 /nfs/dbraw/zinc/12/00/57/520120057.db2.gz YFCPISBSZDOXSF-KRWDZBQOSA-N 1 0 295.471 2.275 10 0 CEAERO CC[NH2+][C@@H]1CCc2c1cccc2O[C@@H]1CCCCNC1=O ZINC000062799808 520124950 /nfs/dbraw/zinc/12/49/50/520124950.db2.gz NSHDNZVPSHWYRL-GDBMZVCRSA-N 1 0 288.391 2.331 10 0 CEAERO CC[NH2+][C@@](C)(CCCCN(C)c1ccc(F)cc1)C(N)=O ZINC000049965846 520131405 /nfs/dbraw/zinc/13/14/05/520131405.db2.gz MSFIJIMPLXJTCP-INIZCTEOSA-N 1 0 295.402 2.286 10 0 CEAERO CC[NH2+][C@@](C)(CCCN(CC)c1ccc(F)cc1)C(N)=O ZINC000050012832 520131607 /nfs/dbraw/zinc/13/16/07/520131607.db2.gz XAFCRPSCFPEVDP-INIZCTEOSA-N 1 0 295.402 2.286 10 0 CEAERO CCN[C@@](C)(CC[N@H+](CC)CC1CC1)C(=O)OCC ZINC000069239437 520133220 /nfs/dbraw/zinc/13/32/20/520133220.db2.gz AYUWCLKGXUELTO-HNNXBMFYSA-N 1 0 270.417 2.040 10 0 CEAERO CC[NH2+][C@@](C)(C[C@@H](C)OCCCc1ccccc1)C(N)=O ZINC000068658023 520141415 /nfs/dbraw/zinc/14/14/15/520141415.db2.gz RSSBUZLXSNVKGN-PBHICJAKSA-N 1 0 292.423 2.268 10 0 CEAERO CCN[C@@](C)(C[C@H](C)[NH+]1CCC(C(C)(C)C)CC1)C(N)=O ZINC000068641362 520143342 /nfs/dbraw/zinc/14/33/42/520143342.db2.gz NSHJCGDUVBOJNH-GUYCJALGSA-N 1 0 297.487 2.377 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N[C@@H](C)Cc1ccsc1 ZINC000061274155 520166905 /nfs/dbraw/zinc/16/69/05/520166905.db2.gz IACAYOQSTNVCQE-MNOVXSKESA-N 1 0 254.399 2.183 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N[C@H](C)CCc1ccco1 ZINC000061273651 520167266 /nfs/dbraw/zinc/16/72/66/520167266.db2.gz LJUNSEBWJQMNQE-VXGBXAGGSA-N 1 0 252.358 2.105 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)N[C@@H](C)c1sc(C)nc1C ZINC000061273474 520167494 /nfs/dbraw/zinc/16/74/94/520167494.db2.gz CMGDUOOKJSIUBU-SCZZXKLOSA-N 1 0 269.414 2.325 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1cc(F)c(F)cc1F ZINC000061274865 520168455 /nfs/dbraw/zinc/16/84/55/520168455.db2.gz JGYMISIYYXGHBL-SSDOTTSWSA-N 1 0 260.259 2.431 10 0 CEAERO CCCCC[N@H+](CC[C@@H](NC)C(=O)OC)C(C)C ZINC000062463279 520173868 /nfs/dbraw/zinc/17/38/68/520173868.db2.gz PAEXXQIEJOWCJY-CYBMUJFWSA-N 1 0 258.406 2.038 10 0 CEAERO CC[NH2+][C@H](C)Cc1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000061181786 520176508 /nfs/dbraw/zinc/17/65/08/520176508.db2.gz QQKSOQVAFSZULS-SNVBAGLBSA-N 1 0 275.352 2.265 10 0 CEAERO CC[NH2+][C@H](C)c1nnc(-c2ccc(OC)cc2OC)o1 ZINC000050618730 520182917 /nfs/dbraw/zinc/18/29/17/520182917.db2.gz VQCXETNGEIDBMM-SECBINFHSA-N 1 0 277.324 2.424 10 0 CEAERO CC[NH2+][C@H](CCOc1cccc2ccccc21)C(N)=O ZINC000062550498 520193431 /nfs/dbraw/zinc/19/34/31/520193431.db2.gz IJOIMZOCWPCJEO-CQSZACIVSA-N 1 0 272.348 2.072 10 0 CEAERO CC[NH2+][C@H](Cc1ccc2ccccc2c1)CS(C)(=O)=O ZINC000070129942 520201995 /nfs/dbraw/zinc/20/19/95/520201995.db2.gz SBHXMHHBJUJRNB-MRXNPFEDSA-N 1 0 291.416 2.405 10 0 CEAERO CC[NH2+][C@H](Cc1nc(C)cs1)c1cnn(C)c1 ZINC000055268882 520206039 /nfs/dbraw/zinc/20/60/39/520206039.db2.gz NBTQEIGFXSAIQO-LLVKDONJSA-N 1 0 250.371 2.078 10 0 CEAERO CC[NH2+][C@H](c1ccccc1)[C@H](CC)S(C)(=O)=O ZINC000054930458 520212307 /nfs/dbraw/zinc/21/23/07/520212307.db2.gz OGFOVIKVKPADNO-QWHCGFSZSA-N 1 0 255.383 2.160 10 0 CEAERO CC1(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)CC[NH2+]CC1 ZINC000062839937 520219508 /nfs/dbraw/zinc/21/95/08/520219508.db2.gz LEIDHEQABRGKNB-ZIAGYGMSSA-N 1 0 264.413 2.415 10 0 CEAERO CC[NH2+][C@H]1COc2cc(OC[C@@H](O)C(F)(F)F)ccc21 ZINC000068878121 520222290 /nfs/dbraw/zinc/22/22/90/520222290.db2.gz PBGADURAFSYLGL-CMPLNLGQSA-N 1 0 291.269 2.032 10 0 CEAERO CC1(C(=O)N[C@H]2CCOc3ccccc32)CC[NH2+]CC1 ZINC000062840237 520230471 /nfs/dbraw/zinc/23/04/71/520230471.db2.gz XGBCHXBQAHUULK-ZDUSSCGKSA-N 1 0 274.364 2.016 10 0 CEAERO CCN[C@](C)(C[C@@H](C)[NH+]1Cc2ccccc2C1)C(=O)OC ZINC000068641989 520235605 /nfs/dbraw/zinc/23/56/05/520235605.db2.gz WZOPTDBRYMZFGR-CXAGYDPISA-N 1 0 290.407 2.322 10 0 CEAERO CCN[C@](C[N@H+](CC(C)C)C1CC1)(C(=O)OCC)C1CC1 ZINC000069132039 520244855 /nfs/dbraw/zinc/24/48/55/520244855.db2.gz MVHALFACFAOZMM-KRWDZBQOSA-N 1 0 296.455 2.428 10 0 CEAERO CCCOCCC(=O)N1C[C@H](CC[NH3+])c2ccccc21 ZINC000063127619 520253721 /nfs/dbraw/zinc/25/37/21/520253721.db2.gz NXTQRJFPESAZKZ-ZDUSSCGKSA-N 1 0 276.380 2.282 10 0 CEAERO CCO[C@@H](C[NH3+])COc1ccccc1C(F)(F)F ZINC000062740180 520311091 /nfs/dbraw/zinc/31/10/91/520311091.db2.gz HAJCXQNFEWKOOG-VIFPVBQESA-N 1 0 263.259 2.448 10 0 CEAERO CCCOc1ccc(-n2nnnc2C[NH2+]CC(C)C)cc1 ZINC000054745131 520317817 /nfs/dbraw/zinc/31/78/17/520317817.db2.gz VUFXWAUXXBYNGI-UHFFFAOYSA-N 1 0 289.383 2.197 10 0 CEAERO CCNc1ccccc1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000050777551 520337882 /nfs/dbraw/zinc/33/78/82/520337882.db2.gz MIJBRQUHLSOYGL-ZDUSSCGKSA-N 1 0 275.396 2.190 10 0 CEAERO CC1(C)CC[NH+](CC(=O)Nc2cc(F)ccc2N)CC1 ZINC000061818246 520378990 /nfs/dbraw/zinc/37/89/90/520378990.db2.gz YSTSCWHLYYAZMB-UHFFFAOYSA-N 1 0 279.359 2.468 10 0 CEAERO CCCOc1ccc(OC[C@H]2CC[C@H](C[NH3+])O2)cc1 ZINC000052695274 520409601 /nfs/dbraw/zinc/40/96/01/520409601.db2.gz MRQDWTLMDJPYNZ-HUUCEWRRSA-N 1 0 265.353 2.361 10 0 CEAERO CCN(CC(F)(F)F)C(=O)CC1CCC([NH3+])CC1 ZINC000055137044 520415446 /nfs/dbraw/zinc/41/54/46/520415446.db2.gz VAHHHFUPYWXDNM-UHFFFAOYSA-N 1 0 266.307 2.305 10 0 CEAERO CCCOc1ccc([C@H]([NH2+][C@@H](C)CC)C(N)=O)cc1 ZINC000052920273 520429921 /nfs/dbraw/zinc/42/99/21/520429921.db2.gz NOYCCVZREJRQIM-FZMZJTMJSA-N 1 0 264.369 2.390 10 0 CEAERO CCCOc1ccc([C@H]([NH2+]C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000052919592 520430801 /nfs/dbraw/zinc/43/08/01/520430801.db2.gz DLUWRVISFMTRIA-HIFRSBDPSA-N 1 0 297.420 2.171 10 0 CEAERO CCCOc1ccc([C@H]([NH2+]C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000052919595 520430980 /nfs/dbraw/zinc/43/09/80/520430980.db2.gz DLUWRVISFMTRIA-ZFWWWQNUSA-N 1 0 297.420 2.171 10 0 CEAERO CCCOc1cccc(C[C@H](C[NH3+])C(=O)OCC)c1 ZINC000052920846 520455632 /nfs/dbraw/zinc/45/56/32/520455632.db2.gz JUODGRUIXBVZKO-CYBMUJFWSA-N 1 0 265.353 2.156 10 0 CEAERO CCCOc1cccc([C@@H]2[C@@H](C[NH2+]C)OCCN2CC)c1 ZINC000070287940 520467192 /nfs/dbraw/zinc/46/71/92/520467192.db2.gz BPYJFQGEDZCNMW-IAGOWNOFSA-N 1 0 292.423 2.457 10 0 CEAERO CCN(CC)C(=O)COc1cc(F)ccc1[C@@H](C)[NH2+]C ZINC000062746556 520490086 /nfs/dbraw/zinc/49/00/86/520490086.db2.gz VAVCCNXKJKPEJW-LLVKDONJSA-N 1 0 282.359 2.353 10 0 CEAERO CCCOc1nc(N2CC[NH+]([C@H](C)CC)CC2)ccc1N ZINC000055066412 520495372 /nfs/dbraw/zinc/49/53/72/520495372.db2.gz RFIJXDFUCNTKLU-CYBMUJFWSA-N 1 0 292.427 2.373 10 0 CEAERO CC1(C)CSC(NCc2ccc3c(c2)OCO3)=[NH+]1 ZINC000061675018 520513924 /nfs/dbraw/zinc/51/39/24/520513924.db2.gz QPWNTOJGTUQYKN-UHFFFAOYSA-N 1 0 264.350 2.386 10 0 CEAERO CCN(CC)C(=O)[C@H](C[NH3+])Cc1cc(F)c(F)c(F)c1 ZINC000062706157 520536703 /nfs/dbraw/zinc/53/67/03/520536703.db2.gz YXYJNCWXBHJOTH-JTQLQIEISA-N 1 0 288.313 2.090 10 0 CEAERO CCC[C@@H](C(=O)N(C)C[C@@H](C)c1nccs1)[NH+](C)C ZINC000183329515 520574989 /nfs/dbraw/zinc/57/49/89/520574989.db2.gz LOMJMCNTIKUPGZ-NEPJUHHUSA-N 1 0 283.441 2.435 10 0 CEAERO CCC[C@@H](C(=O)NC1Cc2ccccc2C1)[NH+](C)C ZINC000183588852 520585149 /nfs/dbraw/zinc/58/51/49/520585149.db2.gz NQGUGUCWQKZZQJ-HNNXBMFYSA-N 1 0 260.381 2.000 10 0 CEAERO CC1(C)Cc2nc(N3CCCCC3)ncc2[C@@H]([NH3+])C1 ZINC000050094245 520586510 /nfs/dbraw/zinc/58/65/10/520586510.db2.gz KLXBVHQNLLPYND-LBPRGKRZSA-N 1 0 260.385 2.439 10 0 CEAERO CCCCNC(=O)COc1cc(F)ccc1[C@@H](C)[NH2+]C ZINC000062746102 520624330 /nfs/dbraw/zinc/62/43/30/520624330.db2.gz VCLPVVSQMFKQSF-LLVKDONJSA-N 1 0 282.359 2.401 10 0 CEAERO CCCCNC(=O)COc1ccccc1[C@@H](C)[NH3+] ZINC000049279630 520626286 /nfs/dbraw/zinc/62/62/86/520626286.db2.gz XTQSTSZIYLZOFL-LLVKDONJSA-N 1 0 250.342 2.001 10 0 CEAERO CC1(C)[C@@H]2CC[C@@]1(C)[C@H]([NH2+]Cc1cnn(CCO)c1)C2 ZINC000068690824 520641872 /nfs/dbraw/zinc/64/18/72/520641872.db2.gz VUZBZCJYPGCWPK-FMKPAKJESA-N 1 0 277.412 2.180 10 0 CEAERO CCCCNC(=O)[C@@H](C)Oc1cccc2c1CC[C@H]2[NH3+] ZINC000062798704 520651347 /nfs/dbraw/zinc/65/13/47/520651347.db2.gz JDIQOPYRKRRYTQ-BXUZGUMPSA-N 1 0 276.380 2.316 10 0 CEAERO CC[NH+](CC)C[C@H](C)Nc1nccn(C(C)(C)C)c1=O ZINC000061766143 520736150 /nfs/dbraw/zinc/73/61/50/520736150.db2.gz SFATVQARWRONIR-LBPRGKRZSA-N 1 0 280.416 2.141 10 0 CEAERO CCC[C@@H]([NH2+][C@H](C)C(=O)NCCOC)c1cccs1 ZINC000049545057 520790466 /nfs/dbraw/zinc/79/04/66/520790466.db2.gz UYLWSVZEYPDBJL-VXGBXAGGSA-N 1 0 284.425 2.330 10 0 CEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NOCc1ccc(F)cc1 ZINC000183676636 520827504 /nfs/dbraw/zinc/82/75/04/520827504.db2.gz VJIOQFMQPDIBNJ-LBPRGKRZSA-N 1 0 297.374 2.287 10 0 CEAERO CCOC(=O)N1CCC(NC(=[NH2+])NC2CCCCC2)CC1 ZINC000052046980 520924932 /nfs/dbraw/zinc/92/49/32/520924932.db2.gz JMHBSOYDCNZUEG-UHFFFAOYSA-N 1 0 296.415 2.054 10 0 CEAERO CCC[C@@]1(C(=O)N(C)Cc2cccs2)CC[NH2+]C1 ZINC000062890689 520941764 /nfs/dbraw/zinc/94/17/64/520941764.db2.gz IFPYSBQRISWDQK-CQSZACIVSA-N 1 0 266.410 2.486 10 0 CEAERO CCN(CCC[NH3+])C(=O)c1cccc2ncccc21 ZINC000061410273 521011646 /nfs/dbraw/zinc/01/16/46/521011646.db2.gz BRMKDXZNZDPDKP-UHFFFAOYSA-N 1 0 257.337 2.046 10 0 CEAERO CCOC(=O)[C@@H](CC[N@H+](C)[C@@H](C)C(C)C)NC1CC1 ZINC000062449047 521055768 /nfs/dbraw/zinc/05/57/68/521055768.db2.gz ZLFORONVCBEREB-GXTWGEPZSA-N 1 0 270.417 2.037 10 0 CEAERO CCN(CCOC)[C@@H](C[NH3+])c1ccc2ncccc2c1 ZINC000069502639 521137442 /nfs/dbraw/zinc/13/74/42/521137442.db2.gz DTPNZXPAISIDMG-INIZCTEOSA-N 1 0 273.380 2.203 10 0 CEAERO CCN(CCOC)[C@H](C[NH3+])c1cccc2cccnc21 ZINC000069502637 521137664 /nfs/dbraw/zinc/13/76/64/521137664.db2.gz JCMFORAMAABNJF-OAHLLOKOSA-N 1 0 273.380 2.203 10 0 CEAERO CCOC(=O)[C@@](C)(C[C@@H](C)[N@H+](C)CC1CCCC1)NC ZINC000068647052 521147727 /nfs/dbraw/zinc/14/77/27/521147727.db2.gz XKIDXTMCHAEFPU-CZUORRHYSA-N 1 0 284.444 2.428 10 0 CEAERO CCOC(=O)[C@@](C)(C[N@H+](C)C(C)(C)CC)NC1CC1 ZINC000069446775 521148290 /nfs/dbraw/zinc/14/82/90/521148290.db2.gz WIQLSLFVECVQRJ-OAHLLOKOSA-N 1 0 270.417 2.181 10 0 CEAERO CC[N@H+](CC[C@H]1CCCC[NH+]1C)[C@@H](C)CC(=O)[O-] ZINC000061182554 521159819 /nfs/dbraw/zinc/15/98/19/521159819.db2.gz IZXFZMPUKQFEIW-QWHCGFSZSA-N 1 0 256.390 2.046 10 0 CEAERO CCCC[C@H](C[NH3+])Nc1nc(OC)ncc1Cl ZINC000157856752 521192760 /nfs/dbraw/zinc/19/27/60/521192760.db2.gz HDQWUAWNJAIJNO-MRVPVSSYSA-N 1 0 258.753 2.068 10 0 CEAERO CCC[C@H]1CCc2[nH]c(C[NH2+]CCOC)nc2C1 ZINC000069236668 521212362 /nfs/dbraw/zinc/21/23/62/521212362.db2.gz MGYYOVGIPQRIIQ-NSHDSACASA-N 1 0 251.374 2.051 10 0 CEAERO CCCC[C@H]([NH3+])C(=O)Nc1ccc(F)cc1OC ZINC000049569988 521214038 /nfs/dbraw/zinc/21/40/38/521214038.db2.gz ZDWBUWUPIPACBM-JTQLQIEISA-N 1 0 254.305 2.290 10 0 CEAERO CC[N@H+](C[C@@H](N)c1cc(OC)ccc1OC)CC1CC1 ZINC000069237627 521215013 /nfs/dbraw/zinc/21/50/13/521215013.db2.gz ZYRFUUXJANXUQX-OAHLLOKOSA-N 1 0 278.396 2.436 10 0 CEAERO CCC[C@H]1CN(Cc2cccc(OC)n2)[C@H](C2CC2)C[NH2+]1 ZINC000068701070 521220916 /nfs/dbraw/zinc/22/09/16/521220916.db2.gz OCQGCHFCZXSJAA-HOCLYGCPSA-N 1 0 289.423 2.443 10 0 CEAERO CCC[C@](C)(C[NH2+]CCOC)Cc1cnn(CC)c1 ZINC000054657516 521268559 /nfs/dbraw/zinc/26/85/59/521268559.db2.gz NNJGQCNQRJKYFY-HNNXBMFYSA-N 1 0 267.417 2.488 10 0 CEAERO CCC[C@](C)(CO)C[N@H+](C)CCc1ccncc1 ZINC000051293833 521269937 /nfs/dbraw/zinc/26/99/37/521269937.db2.gz KCBRMXJGXLISPI-HNNXBMFYSA-N 1 0 250.386 2.355 10 0 CEAERO CCC[C@]1(C(=O)N(CCOC)[C@H](C)C2CC2)CC[NH2+]C1 ZINC000062895673 521297272 /nfs/dbraw/zinc/29/72/72/521297272.db2.gz QPLUGMGKQZHHCO-CJNGLKHVSA-N 1 0 282.428 2.040 10 0 CEAERO CCC(C)(C)N(C)S(=O)(=O)Cc1ccccc1C[NH3+] ZINC000069446308 521306355 /nfs/dbraw/zinc/30/63/55/521306355.db2.gz UZXJVDFFKLHOSC-UHFFFAOYSA-N 1 0 284.425 2.096 10 0 CEAERO CCOC(=O)[C@](C[N@H+](CC)C(C)C)(NC(C)C)C1CC1 ZINC000069097220 521339395 /nfs/dbraw/zinc/33/93/95/521339395.db2.gz OFYUADLIZQFBPC-MRXNPFEDSA-N 1 0 284.444 2.427 10 0 CEAERO CCOC(=O)[C@](C[N@H+](CC(C)C)C(C)C)(NC)C1CC1 ZINC000069147093 521340137 /nfs/dbraw/zinc/34/01/37/521340137.db2.gz SQDZYWROZMGPIJ-MRXNPFEDSA-N 1 0 284.444 2.284 10 0 CEAERO CCOC(=O)c1c(C)c(C)sc1NC(=O)C(C)(C)[NH2+]C ZINC000061318591 521389303 /nfs/dbraw/zinc/38/93/03/521389303.db2.gz ACTXHBDHKMPGGT-UHFFFAOYSA-N 1 0 298.408 2.478 10 0 CEAERO CCN(Cc1ccco1)[C@@]1(C[NH3+])CCCSC1 ZINC000061590140 521401386 /nfs/dbraw/zinc/40/13/86/521401386.db2.gz TUGDAANFFRSNMX-CYBMUJFWSA-N 1 0 254.399 2.326 10 0 CEAERO CCCN(C(=O)c1ccc(OC)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000061668685 521444744 /nfs/dbraw/zinc/44/47/44/521444744.db2.gz NINRIFOKXGATIY-ZDUSSCGKSA-N 1 0 294.370 2.439 10 0 CEAERO CCC(CC)(CO)C[N@H+](C)CCc1ccncc1 ZINC000051293825 521445048 /nfs/dbraw/zinc/44/50/48/521445048.db2.gz OPWFCWAIARFTJC-UHFFFAOYSA-N 1 0 250.386 2.355 10 0 CEAERO CCN([C@@](C)(CC)C[NH3+])S(=O)(=O)c1ccc(C)cc1 ZINC000050093487 521475272 /nfs/dbraw/zinc/47/52/72/521475272.db2.gz VWEQLJBYVVKPNM-AWEZNQCLSA-N 1 0 284.425 2.133 10 0 CEAERO CCN(c1c(C[NH2+]C(C)(C)C)c(C)nn1C)[C@H](C)COC ZINC000062737881 521477435 /nfs/dbraw/zinc/47/74/35/521477435.db2.gz DXCBADOIWGKBOX-GFCCVEGCSA-N 1 0 296.459 2.478 10 0 CEAERO CCN(c1nc(C)c(C[NH2+]CCOC)s1)C(C)C ZINC000054996491 521503997 /nfs/dbraw/zinc/50/39/97/521503997.db2.gz SAMWTKWOJHXHPU-UHFFFAOYSA-N 1 0 271.430 2.422 10 0 CEAERO CCC(CC)[N@H+](C)Cc1cccnc1C(N)=S ZINC000061659748 521542234 /nfs/dbraw/zinc/54/22/34/521542234.db2.gz NZGXTGAFJHAPDG-UHFFFAOYSA-N 1 0 251.399 2.336 10 0 CEAERO CCCN(CC(=O)NC(C)(C)CC)[C@@](C)(CC)C[NH3+] ZINC000050091963 521542086 /nfs/dbraw/zinc/54/20/86/521542086.db2.gz JGCKSBHIALJFDX-HNNXBMFYSA-N 1 0 271.449 2.131 10 0 CEAERO CCCc1[nH+]c2cc(N)ccc2n1CCn1cccn1 ZINC000052855529 521542191 /nfs/dbraw/zinc/54/21/91/521542191.db2.gz ILMQROUUOYSVIL-UHFFFAOYSA-N 1 0 269.352 2.468 10 0 CEAERO CCCc1nccn1[C@H](C)C[C@](C)([NH2+]C(C)C)C(N)=O ZINC000068650302 521555144 /nfs/dbraw/zinc/55/51/44/521555144.db2.gz FOCCLJHQCAMLBH-DOMZBBRYSA-N 1 0 280.416 2.029 10 0 CEAERO CCOc1ccccc1[C@H]1[C@H](C[NH2+]C)OCCN1CC ZINC000070288105 521591916 /nfs/dbraw/zinc/59/19/16/521591916.db2.gz WDAXMSIXHIKLET-HOTGVXAUSA-N 1 0 278.396 2.067 10 0 CEAERO CCCn1c(S[C@H](c2ccco2)[C@@H]([NH3+])CC)n[nH]c1=O ZINC000061594888 521635372 /nfs/dbraw/zinc/63/53/72/521635372.db2.gz TUOKFCSTGWVSJP-ONGXEEELSA-N 1 0 296.396 2.145 10 0 CEAERO CC[N@@H+]1CCC[C@H](Nc2ccc(C(N)=S)cc2)C1 ZINC000049224592 521649648 /nfs/dbraw/zinc/64/96/48/521649648.db2.gz MIGUFKCCTDFDFK-ZDUSSCGKSA-N 1 0 263.410 2.217 10 0 CEAERO CCOC1CCN([C@@H](C[NH3+])CCc2ccccc2)CC1 ZINC000061624771 521657284 /nfs/dbraw/zinc/65/72/84/521657284.db2.gz XHCSIEDBAGRGAA-MRXNPFEDSA-N 1 0 276.424 2.447 10 0 CEAERO CCOC1CCN(c2nc(C)c(C[NH2+]C)s2)CC1 ZINC000054998373 521657735 /nfs/dbraw/zinc/65/77/35/521657735.db2.gz SCAQQUSUHLDRDZ-UHFFFAOYSA-N 1 0 269.414 2.176 10 0 CEAERO CCOC1CCN(c2nc(C)c([C@@H](C)[NH3+])s2)CC1 ZINC000054896413 521658230 /nfs/dbraw/zinc/65/82/30/521658230.db2.gz SRYCNQTUSPOAGM-SECBINFHSA-N 1 0 269.414 2.477 10 0 CEAERO CCCn1cccc1C(=O)N1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000051358256 521658936 /nfs/dbraw/zinc/65/89/36/521658936.db2.gz PIWMEMCEWLJZML-ZIAGYGMSSA-N 1 0 275.396 2.255 10 0 CEAERO CCC[N@H+](C[C@@](NCC)(C(=O)OC)C1CC1)C(C)C ZINC000069097840 521676082 /nfs/dbraw/zinc/67/60/82/521676082.db2.gz YKCFLGMSHLQMRX-HNNXBMFYSA-N 1 0 270.417 2.038 10 0 CEAERO CCN1CC[NH+](C[C@@H]2C[C@H](C(C)C)CC[C@@H]2O)CC1 ZINC000054560748 521685565 /nfs/dbraw/zinc/68/55/65/521685565.db2.gz MQORBXSUWZGWHT-PMPSAXMXSA-N 1 0 268.445 2.057 10 0 CEAERO CCC1(CC)CC[NH+](C[C@@](N)(C(=O)OC)C2CC2)CC1 ZINC000069232549 521687628 /nfs/dbraw/zinc/68/76/28/521687628.db2.gz DLWOETCMTZGIBP-INIZCTEOSA-N 1 0 282.428 2.169 10 0 CEAERO CCN1CCN([C@@H](C[NH3+])c2cc3ccccc3o2)CC1 ZINC000068810789 521691520 /nfs/dbraw/zinc/69/15/20/521691520.db2.gz OSMKAGBFYNALEA-AWEZNQCLSA-N 1 0 273.380 2.070 10 0 CEAERO CCN1CCN(c2ncc(C[NH2+]C(C)(C)C)s2)CC1 ZINC000054899354 521702082 /nfs/dbraw/zinc/70/20/82/521702082.db2.gz GYGLGGZXZVBQKF-UHFFFAOYSA-N 1 0 282.457 2.173 10 0 CEAERO CCNC(=O)CCOc1ccccc1[C@H]([NH3+])CC ZINC000051756836 521736021 /nfs/dbraw/zinc/73/60/21/521736021.db2.gz OJGJOOFYYVSBOF-GFCCVEGCSA-N 1 0 250.342 2.001 10 0 CEAERO CCc1cccc(O[C@H](C)C[C@@](C)([NH2+]C2CC2)C(N)=O)c1 ZINC000068654360 521782439 /nfs/dbraw/zinc/78/24/39/521782439.db2.gz MBSMALPVJGISAL-SJKOYZFVSA-N 1 0 290.407 2.402 10 0 CEAERO COCC[C@@H]([NH3+])Cc1ccc(Br)s1 ZINC000053832762 521831559 /nfs/dbraw/zinc/83/15/59/521831559.db2.gz ODAVTVWVRBKDKZ-SSDOTTSWSA-N 1 0 264.188 2.417 10 0 CEAERO COCC[C@@H]([NH3+])CN(C)Cc1cccc(Cl)c1 ZINC000052810801 521832478 /nfs/dbraw/zinc/83/24/78/521832478.db2.gz XPQRCWQZPRKWDA-CYBMUJFWSA-N 1 0 256.777 2.136 10 0 CEAERO C[NH+](C)C[C@@H]1CCCN1CC(=O)c1cccc(F)c1 ZINC000061645608 521838687 /nfs/dbraw/zinc/83/86/87/521838687.db2.gz MXAJTTVRWQLVPI-AWEZNQCLSA-N 1 0 264.344 2.034 10 0 CEAERO CN(C)C[C@@H]1CCC[N@@H+]1[C@@H]1CCc2ccccc2[C@@H]1O ZINC000061652537 521843738 /nfs/dbraw/zinc/84/37/38/521843738.db2.gz CEHUNZNPLCPJHL-UAGQMJEPSA-N 1 0 274.408 2.061 10 0 CEAERO CCc1ccccc1C[C@@H](C[NH3+])C(=O)N(CC)CC ZINC000052200815 521845081 /nfs/dbraw/zinc/84/50/81/521845081.db2.gz IDYDURLVIFCFQX-HNNXBMFYSA-N 1 0 262.397 2.235 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1CC(=O)c1ccc(F)cc1 ZINC000061645650 521866057 /nfs/dbraw/zinc/86/60/57/521866057.db2.gz MRPIVROGUWTTEE-CQSZACIVSA-N 1 0 264.344 2.034 10 0 CEAERO CN(C)C[C@H]1CCC[N@@H+]1[C@@H]1CCCCCC[C@@H]1O ZINC000061652658 521873800 /nfs/dbraw/zinc/87/38/00/521873800.db2.gz WNLJGTVAEDCVGW-KFWWJZLASA-N 1 0 254.418 2.096 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N(Cc1cccc(C)c1)C1CC1 ZINC000061317176 521933302 /nfs/dbraw/zinc/93/33/02/521933302.db2.gz HRPIODODIDKSMU-UHFFFAOYSA-N 1 0 260.381 2.484 10 0 CEAERO C[NH2+]C(C)(C)C(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000061316212 521944792 /nfs/dbraw/zinc/94/47/92/521944792.db2.gz YLBMKBBLYDZXFW-UHFFFAOYSA-N 1 0 270.336 2.080 10 0 CEAERO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc(F)cc1OC ZINC000049569911 521955920 /nfs/dbraw/zinc/95/59/20/521955920.db2.gz ARCOIMJARHYGOQ-UFBFGSQYSA-N 1 0 254.305 2.146 10 0 CEAERO C[NH2+]CCCCCOc1cc(OC)cc(OC)c1 ZINC000070144366 521993708 /nfs/dbraw/zinc/99/37/08/521993708.db2.gz QDVQJIJHSUWHSO-UHFFFAOYSA-N 1 0 253.342 2.472 10 0 CEAERO C[NH2+]CCOCc1sccc1Br ZINC000051841794 522010715 /nfs/dbraw/zinc/01/07/15/522010715.db2.gz VFSZYYAONPWFSZ-UHFFFAOYSA-N 1 0 250.161 2.247 10 0 CEAERO C[NH2+]CCc1noc(Cc2cccc(Cl)c2)n1 ZINC000052945618 522022671 /nfs/dbraw/zinc/02/26/71/522022671.db2.gz NCFUKBOSHDQPSB-UHFFFAOYSA-N 1 0 251.717 2.076 10 0 CEAERO C[NH2+]CCc1nnc(Cc2ccc(Br)cc2)o1 ZINC000050619595 522023024 /nfs/dbraw/zinc/02/30/24/522023024.db2.gz RXYNXONKTWDZOW-UHFFFAOYSA-N 1 0 296.168 2.185 10 0 CEAERO CC[C@H](C)c1ccccc1OC[C@]([NH2+]C)(C(N)=O)C1CC1 ZINC000069197824 522049796 /nfs/dbraw/zinc/04/97/96/522049796.db2.gz LGXKYGVBVYHXNU-YVEFUNNKSA-N 1 0 290.407 2.432 10 0 CEAERO C[NH2+]C[C@@H]1CC[C@H](COCCc2cccs2)O1 ZINC000052707511 522061605 /nfs/dbraw/zinc/06/16/05/522061605.db2.gz NQPRTRCKZRXMCZ-NWDGAFQWSA-N 1 0 255.383 2.074 10 0 CEAERO C[NH2+]C[C@H](OC[C@H]1CCOC1)c1cccc(OC)c1 ZINC000050501803 522078064 /nfs/dbraw/zinc/07/80/64/522078064.db2.gz AVTVFLCHJXRMMW-WFASDCNBSA-N 1 0 265.353 2.009 10 0 CEAERO C[NH2+]C[C@H](OC[C@H]1CCCO1)c1cccc(OC)c1 ZINC000050494585 522078412 /nfs/dbraw/zinc/07/84/12/522078412.db2.gz JLLYHSLFPYZCOB-CABCVRRESA-N 1 0 265.353 2.151 10 0 CEAERO C[NH2+]C[C@H]1CCCCN1Cc1ccc2c(c1)OCCCO2 ZINC000063166975 522079530 /nfs/dbraw/zinc/07/95/30/522079530.db2.gz KIIBCAOWIQZLQJ-OAHLLOKOSA-N 1 0 290.407 2.422 10 0 CEAERO C[NH2+]Cc1ccc(-n2cc(-c3ccccc3)cn2)nn1 ZINC000054961999 522115125 /nfs/dbraw/zinc/11/51/25/522115125.db2.gz RDWZRBWAGRTYPK-UHFFFAOYSA-N 1 0 265.320 2.049 10 0 CEAERO C[NH2+]Cc1cnc(N2CCO[C@@H]3CCC[C@@H]32)c(Cl)c1 ZINC000051485741 522148353 /nfs/dbraw/zinc/14/83/53/522148353.db2.gz SDIUYOAOGBZFMP-QWHCGFSZSA-N 1 0 281.787 2.212 10 0 CEAERO C[NH2+]Cc1nnc(-c2cc(F)cc(Br)c2)o1 ZINC000050615441 522155236 /nfs/dbraw/zinc/15/52/36/522155236.db2.gz JOMGBEDCABRMEN-UHFFFAOYSA-N 1 0 286.104 2.358 10 0 CEAERO C[NH2+]Cc1nnnn1-c1cccc(Oc2ccccc2)c1 ZINC000054762323 522158417 /nfs/dbraw/zinc/15/84/17/522158417.db2.gz JHHQGYNCIYPHJO-UHFFFAOYSA-N 1 0 281.319 2.174 10 0 CEAERO C[NH2+]Cc1oc(CN2CCO[C@@H]3CCCC[C@@H]32)cc1C ZINC000052573249 522161649 /nfs/dbraw/zinc/16/16/49/522161649.db2.gz CEUCTUKFFQVFKN-LSDHHAIUSA-N 1 0 278.396 2.451 10 0 CEAERO C[NH2+]Cc1sc(N(C)Cc2ccncc2)nc1C ZINC000054997753 522166878 /nfs/dbraw/zinc/16/68/78/522166878.db2.gz AMUOLIQXWPPJPK-UHFFFAOYSA-N 1 0 262.382 2.202 10 0 CEAERO C[NH2+]Cc1sc(N(C)C[C@@H]2CCCCO2)nc1C ZINC000054998745 522167891 /nfs/dbraw/zinc/16/78/91/522167891.db2.gz UGIQSDQFUCBUQK-NSHDSACASA-N 1 0 269.414 2.176 10 0 CEAERO C[NH2+]Cc1sc2ccccc2c1Cn1cncn1 ZINC000052575053 522169061 /nfs/dbraw/zinc/16/90/61/522169061.db2.gz WZABMNDINAVMPG-UHFFFAOYSA-N 1 0 258.350 2.261 10 0 CEAERO COc1cc(C)ccc1[C@@H](C)[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000069142119 522282079 /nfs/dbraw/zinc/28/20/79/522282079.db2.gz ZLYNLPGPYOPDQW-OLZOCXBDSA-N 1 0 297.420 2.231 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(-n2cncn2)c(Br)c1 ZINC000061698291 522329744 /nfs/dbraw/zinc/32/97/44/522329744.db2.gz UIENVTQVTJXBNW-QMMMGPOBSA-N 1 0 281.157 2.310 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(NC(=O)N[C@H]2CCCC[C@@H]2O)cc1 ZINC000052015645 522332834 /nfs/dbraw/zinc/33/28/34/522332834.db2.gz JTZVLWONUBOFKA-CQDKDKBSSA-N 1 0 291.395 2.392 10 0 CEAERO C[NH2+][C@@H](C)c1cccc(NC(=O)N2CCCC[C@@H]2CO)c1 ZINC000048859456 522334911 /nfs/dbraw/zinc/33/49/11/522334911.db2.gz RBQQUPHUXPARNI-SWLSCSKDSA-N 1 0 291.395 2.346 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(OCCO)c(Br)c1 ZINC000061698631 522335259 /nfs/dbraw/zinc/33/52/59/522335259.db2.gz LNROCAAKQQIKEM-QMMMGPOBSA-N 1 0 274.158 2.101 10 0 CEAERO CC[C@H]([NH3+])c1noc(-c2ccc(OC)c(F)c2)n1 ZINC000061669618 522349440 /nfs/dbraw/zinc/34/94/40/522349440.db2.gz LGTSYHIUTCTLBJ-VIFPVBQESA-N 1 0 251.261 2.294 10 0 CEAERO C[NH2+][C@@H](Cc1nc(C)cs1)CC1CCOCC1 ZINC000055268462 522364850 /nfs/dbraw/zinc/36/48/50/522364850.db2.gz HSZLZGUFXMWILX-GFCCVEGCSA-N 1 0 254.399 2.399 10 0 CEAERO C[NH2+][C@@H](c1ccc(OC)cc1OC)[C@H]1CCCOC1 ZINC000062231388 522370130 /nfs/dbraw/zinc/37/01/30/522370130.db2.gz VERGEBKQXGSSFD-XHDPSFHLSA-N 1 0 265.353 2.391 10 0 CEAERO C[NH2+][C@@H](c1ccnn1C)c1cccc(Br)c1 ZINC000069020766 522371759 /nfs/dbraw/zinc/37/17/59/522371759.db2.gz WDKCYYCEXZSDLH-GFCCVEGCSA-N 1 0 280.169 2.491 10 0 CEAERO CCc1nc(N2C[C@H](C)O[C@@H](C)C2)sc1C[NH2+]C ZINC000054995484 522390018 /nfs/dbraw/zinc/39/00/18/522390018.db2.gz DOCNHNVDADNHMV-UWVGGRQHSA-N 1 0 269.414 2.039 10 0 CEAERO C[NH2+][C@@](CS[C@@H]1CCC[C@@H](C)C1)(C(N)=O)C1CC1 ZINC000069189615 522433130 /nfs/dbraw/zinc/43/31/30/522433130.db2.gz WBUDTNWFZJVPTR-MPKXVKKWSA-N 1 0 270.442 2.152 10 0 CEAERO C[NH2+][C@H](C)c1cc(Cl)ccc1OC[C@@H](O)COC ZINC000069053759 522443963 /nfs/dbraw/zinc/44/39/63/522443963.db2.gz JMWZKWAOXVFPLT-KOLCDFICSA-N 1 0 273.760 2.007 10 0 CEAERO C[NH2+][C@H](C)c1ccc(F)cc1OCCn1cccn1 ZINC000062746105 522447957 /nfs/dbraw/zinc/44/79/57/522447957.db2.gz HGQXBEIBNLBSKK-LLVKDONJSA-N 1 0 263.316 2.382 10 0 CEAERO C[NH2+][C@H](C)c1nnc(-c2cc(OC)c(OC)cc2OC)o1 ZINC000050618401 522453817 /nfs/dbraw/zinc/45/38/17/522453817.db2.gz XWGDMSUKVSVLAI-MRVPVSSYSA-N 1 0 293.323 2.043 10 0 CEAERO C[NH2+][C@H](C)c1cnc(N2C[C@H](C)O[C@@H](C)C2)s1 ZINC000054900568 522453933 /nfs/dbraw/zinc/45/39/33/522453933.db2.gz PHYZGYOCTKEUFX-LPEHRKFASA-N 1 0 255.387 2.037 10 0 CEAERO C[NH2+][C@H](Cn1nc(C)ccc1=O)c1cc(C)ccc1C ZINC000061810242 522475551 /nfs/dbraw/zinc/47/55/51/522475551.db2.gz QOQOYAUVNTUASM-OAHLLOKOSA-N 1 0 271.364 2.129 10 0 CEAERO C[NH2+][C@H](Cc1cnn(C)c1)c1cc(F)c(F)c(F)c1 ZINC000050543172 522475780 /nfs/dbraw/zinc/47/57/80/522475780.db2.gz FOPRKPOHTPELJY-GFCCVEGCSA-N 1 0 269.270 2.341 10 0 CEAERO COc1cc(C[NH2+][C@@H](CN(C)C)C(C)C)cc(OC)c1O ZINC000049197120 522476949 /nfs/dbraw/zinc/47/69/49/522476949.db2.gz BKTGUZFLDHWHFM-ZDUSSCGKSA-N 1 0 296.411 2.085 10 0 CEAERO C[NH2+][C@H](c1ccnn1C)c1nccc2ccccc21 ZINC000069468188 522485047 /nfs/dbraw/zinc/48/50/47/522485047.db2.gz OKICTAWKUFLTMU-OAHLLOKOSA-N 1 0 252.321 2.277 10 0 CEAERO C[NH2+][C@H]1CCC2(C[C@H]1Oc1cccc(F)c1F)OCCO2 ZINC000062613578 522490571 /nfs/dbraw/zinc/49/05/71/522490571.db2.gz PUXIKSQVPZXCMQ-WCQYABFASA-N 1 0 299.317 2.227 10 0 CEAERO CC[C@@H](CC[NH3+])NC(=O)c1cccc2ncccc21 ZINC000061410655 522497369 /nfs/dbraw/zinc/49/73/69/522497369.db2.gz WAYIBFILNOAEQM-NSHDSACASA-N 1 0 257.337 2.092 10 0 CEAERO C[NH2+][C@H]1CCCc2cc(OC[C@H](O)COC(C)C)ccc21 ZINC000070099522 522498349 /nfs/dbraw/zinc/49/83/49/522498349.db2.gz VDFBGEPVIYFNRV-PBHICJAKSA-N 1 0 293.407 2.448 10 0 CEAERO C[NH2+][C@H]1COc2cc(OCCc3ccccn3)ccc21 ZINC000062804268 522506786 /nfs/dbraw/zinc/50/67/86/522506786.db2.gz SAVJIBNVSHRJEK-HNNXBMFYSA-N 1 0 270.332 2.356 10 0 CEAERO CCc1nc2ccccc2n1[C@@H]1COCC[C@@H]1[NH2+]C ZINC000062807459 522507375 /nfs/dbraw/zinc/50/73/75/522507375.db2.gz PQFSJIZSGGOHCN-SMDDNHRTSA-N 1 0 259.353 2.148 10 0 CEAERO C[NH2+][C@](C)(C[C@@H](C)Oc1ccc(C(C)C)cc1)C(N)=O ZINC000068655289 522520365 /nfs/dbraw/zinc/52/03/65/522520365.db2.gz HOXZNXNVMBVHKR-MLGOLLRUSA-N 1 0 278.396 2.431 10 0 CEAERO C[NH2+][C@](C)(C[C@@H](C)[N@@H+]1CC[C@H](c2ccccc2)C1)C(=O)[O-] ZINC000068641737 522520608 /nfs/dbraw/zinc/52/06/08/522520608.db2.gz RHISECNTFSPNPC-UKPHBRMFSA-N 1 0 290.407 2.317 10 0 CEAERO C[NH2+][C@](C)(C[C@H](C)[N@@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000068632776 522522303 /nfs/dbraw/zinc/52/23/03/522522303.db2.gz RXFPXLDUSIARTC-JGGQBBKZSA-N 1 0 282.428 2.482 10 0 CEAERO COc1cc(Cl)ccc1-c1nc(C[C@@H](C)[NH3+])no1 ZINC000054161558 522543424 /nfs/dbraw/zinc/54/34/24/522543424.db2.gz IJBAGYBESHJONM-SSDOTTSWSA-N 1 0 267.716 2.288 10 0 CEAERO COc1cc(Cl)ccc1-c1nc(C[C@H](C)[NH3+])no1 ZINC000054161557 522544668 /nfs/dbraw/zinc/54/46/68/522544668.db2.gz IJBAGYBESHJONM-ZETCQYMHSA-N 1 0 267.716 2.288 10 0 CEAERO COc1cc(Cl)ccc1C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000070119857 522548900 /nfs/dbraw/zinc/54/89/00/522548900.db2.gz FRZLQQQLUIJSJG-LLVKDONJSA-N 1 0 282.771 2.221 10 0 CEAERO CC[C@H]([NH2+]C)c1ccc(OCCCC(=O)NC)cc1 ZINC000068816383 522556491 /nfs/dbraw/zinc/55/64/91/522556491.db2.gz VZWBTBWYSQIUDT-AWEZNQCLSA-N 1 0 264.369 2.262 10 0 CEAERO CN(CC(F)(F)F)C(=O)CCC1CCC([NH3+])CC1 ZINC000055130496 522561470 /nfs/dbraw/zinc/56/14/70/522561470.db2.gz QTMBPVJDGBMEHK-UHFFFAOYSA-N 1 0 266.307 2.305 10 0 CEAERO COC[C@H](C)N(C)Cc1csc(C[NH2+]C(C)C)n1 ZINC000052511221 522595889 /nfs/dbraw/zinc/59/58/89/522595889.db2.gz MXFVVNRDNUBPMT-NSHDSACASA-N 1 0 271.430 2.108 10 0 CEAERO CNc1ccc(C)cc1C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000055085389 522601067 /nfs/dbraw/zinc/60/10/67/522601067.db2.gz LOVZMXPPCPQXKO-UHFFFAOYSA-N 1 0 289.423 2.451 10 0 CEAERO CNc1ccc(C)cc1C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000053002836 522603736 /nfs/dbraw/zinc/60/37/36/522603736.db2.gz KHDSHYIETLABGY-AWEZNQCLSA-N 1 0 289.423 2.497 10 0 CEAERO COc1cc(F)ccc1NC(=O)[C@H]1CCC[C@H](C)[NH2+]1 ZINC000049570466 522610889 /nfs/dbraw/zinc/61/08/89/522610889.db2.gz JDEKTDPQHOJAQP-JOYOIKCWSA-N 1 0 266.316 2.303 10 0 CEAERO CNc1ccc(Cl)cc1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000050779370 522629063 /nfs/dbraw/zinc/62/90/63/522629063.db2.gz LNKZXTJQQCQUOD-LLVKDONJSA-N 1 0 293.798 2.348 10 0 CEAERO CC[C@@H]([NH3+])Cc1nc(-c2c(C)nn(C)c2C)cs1 ZINC000054184402 522644770 /nfs/dbraw/zinc/64/47/70/522644770.db2.gz PARIUWAAHUDCJG-SNVBAGLBSA-N 1 0 264.398 2.440 10 0 CEAERO CC[C@@H](N)[C@@H]([N@@H+]1CCC[C@@H]1CCCO)C(C)(C)C ZINC000052757391 522647136 /nfs/dbraw/zinc/64/71/36/522647136.db2.gz MBXZQGKVWSSZCA-MGPQQGTHSA-N 1 0 256.434 2.375 10 0 CEAERO CC[C@@H]([NH3+])[C@H](N(C)Cc1nccn1C)C(C)(C)C ZINC000062247555 522651185 /nfs/dbraw/zinc/65/11/85/522651185.db2.gz GDTVRWMRPKESSS-YPMHNXCESA-N 1 0 252.406 2.004 10 0 CEAERO CC[C@@H]([NH3+])[C@@](O)(c1ccc(OC)c(OC)c1)C(F)(F)F ZINC000062784320 522652303 /nfs/dbraw/zinc/65/23/03/522652303.db2.gz SMNNJZKGHWYJOB-NEPJUHHUSA-N 1 0 293.285 2.191 10 0 CEAERO CC[C@@H]([NH3+])c1ccccc1OC[C@H](O)C(F)(F)F ZINC000068875716 522657117 /nfs/dbraw/zinc/65/71/17/522657117.db2.gz OINCRPJLGMZNCE-KOLCDFICSA-N 1 0 263.259 2.398 10 0 CEAERO CC[C@H]([NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1)C(C)C ZINC000049127603 522698113 /nfs/dbraw/zinc/69/81/13/522698113.db2.gz CXACZAGLYYWZJW-FZMZJTMJSA-N 1 0 284.425 2.419 10 0 CEAERO COC1CC[NH+]([C@@H]2C[C@@H](C(C)C)CC[C@@H]2N)CC1 ZINC000054554966 522707239 /nfs/dbraw/zinc/70/72/39/522707239.db2.gz BCKFEVQGFOLKTD-AEGPPILISA-N 1 0 254.418 2.249 10 0 CEAERO CC[C@H]([NH2+][C@H]1CCCS(=O)(=O)C1)c1ccc(O)cc1 ZINC000069143105 522750557 /nfs/dbraw/zinc/75/05/57/522750557.db2.gz RSLNJTSWMFKNQP-JSGCOSHPSA-N 1 0 283.393 2.010 10 0 CEAERO CCc1nnc(COc2cccc3c2CC[C@@H]3[NH3+])o1 ZINC000062798434 522751447 /nfs/dbraw/zinc/75/14/47/522751447.db2.gz GZEHDSWCFUGYEB-NSHDSACASA-N 1 0 259.309 2.157 10 0 CEAERO COC[C@H](O)COc1ccc(-c2ccc(C[NH3+])cc2)cc1 ZINC000069053298 522806827 /nfs/dbraw/zinc/80/68/27/522806827.db2.gz XSLDJFHUASCZJO-INIZCTEOSA-N 1 0 287.359 2.198 10 0 CEAERO COC[C@H](O)COc1c2ccccc2ccc1[C@@H](C)[NH3+] ZINC000069053623 522807104 /nfs/dbraw/zinc/80/71/04/522807104.db2.gz PYNCDDSAGIXMLM-YPMHNXCESA-N 1 0 275.348 2.246 10 0 CEAERO COc1cc(OC)c([C@@H](O)C[NH2+]C(C)(C)C)c(OC)c1 ZINC000055029744 522829954 /nfs/dbraw/zinc/82/99/54/522829954.db2.gz GOSAIBHIKCLQOA-NSHDSACASA-N 1 0 283.368 2.134 10 0 CEAERO CC[C@@H]([NH2+]CCN(C)CCOC)c1ccc(O)cc1 ZINC000061375113 522832819 /nfs/dbraw/zinc/83/28/19/522832819.db2.gz SMSZXNJWSDDSGO-OAHLLOKOSA-N 1 0 266.385 2.011 10 0 CEAERO COc1cc(OC)cc(-c2nnc(C[NH2+]C(C)C)o2)c1 ZINC000050615899 522838820 /nfs/dbraw/zinc/83/88/20/522838820.db2.gz HVJRGHUEMGKVPG-UHFFFAOYSA-N 1 0 277.324 2.252 10 0 CEAERO COc1cc([C@@H](O)[C@@H]([NH3+])c2ccccc2)ccc1O ZINC000054681664 522912607 /nfs/dbraw/zinc/91/26/07/522912607.db2.gz PTDDSWKGFXSPGZ-LSDHHAIUSA-N 1 0 259.305 2.134 10 0 CEAERO CC[C@H]1CCC(=O)[C@@H](C[N@H+](CCOC)[C@@H](C)COC)C1 ZINC000053930482 522993194 /nfs/dbraw/zinc/99/31/94/522993194.db2.gz ONPDCIFLGWZQSM-SOUVJXGZSA-N 1 0 285.428 2.365 10 0 CEAERO CC[C@@H](Oc1c(C[NH2+]CC(C)C)cccc1OC)C(N)=O ZINC000062732330 523036369 /nfs/dbraw/zinc/03/63/69/523036369.db2.gz AZHBWPDRTPQMTD-CYBMUJFWSA-N 1 0 294.395 2.084 10 0 CEAERO CCn1c(=O)[nH]nc1Sc1ccccc1[C@@H](C)[NH2+]C ZINC000061595867 523097167 /nfs/dbraw/zinc/09/71/67/523097167.db2.gz BSUACXAVGDDBNC-SECBINFHSA-N 1 0 278.381 2.023 10 0 CEAERO CC[C@H]1CC[C@H]([NH3+])[C@H](N2CCN(CC(F)(F)F)CC2)C1 ZINC000061941097 523206184 /nfs/dbraw/zinc/20/61/84/523206184.db2.gz NFTUMUSETVQKOS-RWMBFGLXSA-N 1 0 293.377 2.072 10 0 CEAERO CCn1cc(CN2CC[NH2+][C@@H](C3CCCCC3)C2)cn1 ZINC000068693996 523376650 /nfs/dbraw/zinc/37/66/50/523376650.db2.gz KURXVSYLNZBTKL-MRXNPFEDSA-N 1 0 276.428 2.257 10 0 CEAERO CN(Cc1cccs1)Cc1ccnc(C(N)=[NH2+])c1 ZINC000068761136 523447532 /nfs/dbraw/zinc/44/75/32/523447532.db2.gz HDDRJYQDYPOEMC-UHFFFAOYSA-N 1 0 260.366 2.059 10 0 CEAERO CN(Cc1ccncc1)C[C@](C)([NH3+])c1ccccc1 ZINC000052883323 523462019 /nfs/dbraw/zinc/46/20/19/523462019.db2.gz RVUVAUBXXZLBRW-INIZCTEOSA-N 1 0 255.365 2.388 10 0 CEAERO CC[C@@H]1CN([C@@H](C[NH2+]CC(C)C)C(C)C)CCO1 ZINC000052476874 523467266 /nfs/dbraw/zinc/46/72/66/523467266.db2.gz MKNSWXGHARPAKP-CABCVRRESA-N 1 0 256.434 2.367 10 0 CEAERO CC[C@](C)([NH3+])c1noc(-c2ccc3nccnc3c2)n1 ZINC000061418858 523474978 /nfs/dbraw/zinc/47/49/78/523474978.db2.gz DYRVXMJEPRXYJB-AWEZNQCLSA-N 1 0 269.308 2.264 10 0 CEAERO COC(=O)[C@@H](C(C)C)n1c(C)[nH+]c2cc(N)ccc21 ZINC000052854807 523483665 /nfs/dbraw/zinc/48/36/65/523483665.db2.gz JEFGOOJBYWSPNW-CYBMUJFWSA-N 1 0 261.325 2.297 10 0 CEAERO COc1ccc(Br)cc1Cn1cc(C[NH3+])cn1 ZINC000054716820 523502196 /nfs/dbraw/zinc/50/21/96/523502196.db2.gz OHYSXWQVQXOOLW-UHFFFAOYSA-N 1 0 296.168 2.161 10 0 CEAERO CC[C@@H]1CO[C@@H](C)CN1CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052197587 523505244 /nfs/dbraw/zinc/50/52/44/523505244.db2.gz ZVXXFPIGOCYQAO-GOEBONIOSA-N 1 0 296.455 2.035 10 0 CEAERO CC[C@]1(C(=O)NC[C@H]2CCCC[C@@H]2C)CC[NH2+]C1 ZINC000062902137 523539005 /nfs/dbraw/zinc/53/90/05/523539005.db2.gz GHPCWBFKXURNNI-GUTXKFCHSA-N 1 0 252.402 2.319 10 0 CEAERO CC[C@]1(C)C[C@@H]([NH2+]CCc2nnc3ccccn32)CCO1 ZINC000070346150 523583220 /nfs/dbraw/zinc/58/32/20/523583220.db2.gz MVYCSHYOQHXGMD-XJKSGUPXSA-N 1 0 288.395 2.209 10 0 CEAERO COCC[N@H+](C)CCn1c2cc(F)ccc2[nH]c1=S ZINC000061379972 523621439 /nfs/dbraw/zinc/62/14/39/523621439.db2.gz GUMPAIPRPBSWLJ-UHFFFAOYSA-N 1 0 283.372 2.416 10 0 CEAERO COC(=O)[C@@H](NCC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000050509580 523629983 /nfs/dbraw/zinc/62/99/83/523629983.db2.gz LVCVTGUANYVLKL-CVEARBPZSA-N 1 0 290.407 2.365 10 0 CEAERO COc1ccc(C(=O)N2CCC[C@H]([NH3+])C2)c2ccccc12 ZINC000158092754 523639632 /nfs/dbraw/zinc/63/96/32/523639632.db2.gz NRDDTWKPWKBOMH-LBPRGKRZSA-N 1 0 284.359 2.412 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]CCc2cnn(C)c2)c1C ZINC000148796705 523661117 /nfs/dbraw/zinc/66/11/17/523661117.db2.gz AURDVLXOHHDQTK-LLVKDONJSA-N 1 0 275.400 2.147 10 0 CEAERO CN(c1nc(C2CC2)c(CO)s1)C1CC[NH+](C)CC1 ZINC000069182507 523663561 /nfs/dbraw/zinc/66/35/61/523663561.db2.gz AJGNFJMGUDCATC-UHFFFAOYSA-N 1 0 281.425 2.043 10 0 CEAERO COc1ccc(C(=O)N[C@@H]2CCCCC[C@@H]2[NH3+])c(OC)c1 ZINC000063211004 523724863 /nfs/dbraw/zinc/72/48/63/523724863.db2.gz KGNUILJJUSEJHB-UONOGXRCSA-N 1 0 292.379 2.094 10 0 CEAERO CCn1nccc1[C@@H]([NH2+]C)c1ccc(F)c(F)c1 ZINC000069470910 523745190 /nfs/dbraw/zinc/74/51/90/523745190.db2.gz YWJZTTZXZFLXLR-ZDUSSCGKSA-N 1 0 251.280 2.490 10 0 CEAERO COCC[N@H+]([C@H](C)CNCC(F)(F)F)[C@@H](C)C1CC1 ZINC000053496956 523782946 /nfs/dbraw/zinc/78/29/46/523782946.db2.gz OLCDWASGSGKACX-MNOVXSKESA-N 1 0 282.350 2.274 10 0 CEAERO COc1ccc(C(C)C)cc1C(C[NH3+])(OC)OC ZINC000057539467 523794608 /nfs/dbraw/zinc/79/46/08/523794608.db2.gz QSLPLBWSACKNQU-UHFFFAOYSA-N 1 0 253.342 2.223 10 0 CEAERO CO[C@H](C(=O)N(C)CC[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000050437511 523817953 /nfs/dbraw/zinc/81/79/53/523817953.db2.gz GNHUMHGRWUPDOG-CVEARBPZSA-N 1 0 290.407 2.365 10 0 CEAERO COc1ccc(C)cc1[C@@](C)(O)C[NH2+]CC(C)C ZINC000055033408 523855614 /nfs/dbraw/zinc/85/56/14/523855614.db2.gz GOUHECGIWYMCAU-HNNXBMFYSA-N 1 0 251.370 2.457 10 0 CEAERO COC(=O)[C@H](C)Oc1ccc(OC)cc1C[NH2+]CC(C)C ZINC000062727671 523887125 /nfs/dbraw/zinc/88/71/25/523887125.db2.gz JGGNTFJRCZZLOU-LBPRGKRZSA-N 1 0 295.379 2.381 10 0 CEAERO COC(=O)[C@H](N[C@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000050507063 523931572 /nfs/dbraw/zinc/93/15/72/523931572.db2.gz WZNRYHOAAOXMSN-CZUORRHYSA-N 1 0 290.407 2.221 10 0 CEAERO COCC[NH2+]C[C@@H](C)CCCOCC(F)(F)F ZINC000054660058 523939699 /nfs/dbraw/zinc/93/96/99/523939699.db2.gz QCURUZQEUHTQOF-JTQLQIEISA-N 1 0 257.296 2.218 10 0 CEAERO COCC[NH2+]C[C@@H](CCOC)Cc1ccc(OC)cc1 ZINC000054666951 523940226 /nfs/dbraw/zinc/94/02/26/523940226.db2.gz RALSDZFYNWREIT-HNNXBMFYSA-N 1 0 281.396 2.126 10 0 CEAERO COCC[NH2+]C[C@@H](CCOC)Cc1ccccc1F ZINC000054667363 523940404 /nfs/dbraw/zinc/94/04/04/523940404.db2.gz ZSGQLRAJSXOYMS-ZDUSSCGKSA-N 1 0 269.360 2.257 10 0 CEAERO COCC[NH2+]C[C@H](C)c1c(C)nc(CSC)nc1C ZINC000054855168 523942949 /nfs/dbraw/zinc/94/29/49/523942949.db2.gz YITKJYHLTQWYEZ-JTQLQIEISA-N 1 0 283.441 2.296 10 0 CEAERO COCC[NH2+]C[C@H]1C[C@@H]1c1c(OC)cc(OC)cc1OC ZINC000054598734 523943197 /nfs/dbraw/zinc/94/31/97/523943197.db2.gz PCWLOMIKMZRSFF-YPMHNXCESA-N 1 0 295.379 2.052 10 0 CEAERO COCC[NH2+]C[C@H]1C[C@@H]1c1cc2c(c(Cl)c1)OCO2 ZINC000054598714 523943540 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MHSCLVROXCEQKJ-GUBZILKMSA-N 1 0 266.307 2.351 10 0 CEAERO C[C@H]([NH3+])Cc1noc(Cc2cccc(Br)c2)n1 ZINC000054161561 524835647 /nfs/dbraw/zinc/83/56/47/524835647.db2.gz LVBKRJVXVNRUJZ-QMMMGPOBSA-N 1 0 296.168 2.313 10 0 CEAERO C[C@H]([NH3+])Cc1noc(-c2ccc(F)cc2Cl)n1 ZINC000054161297 524837333 /nfs/dbraw/zinc/83/73/33/524837333.db2.gz MKFOEOATTHXHCW-LURJTMIESA-N 1 0 255.680 2.419 10 0 CEAERO Cc1ccc(F)cc1C(=O)N(CCC[NH3+])C(C)C ZINC000062664131 524839398 /nfs/dbraw/zinc/83/93/98/524839398.db2.gz QSHQLSXFUVFANF-UHFFFAOYSA-N 1 0 252.333 2.334 10 0 CEAERO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cccn1C1CC1 ZINC000063192784 524839860 /nfs/dbraw/zinc/83/98/60/524839860.db2.gz ULXUPINPTQMAMK-AAEUAGOBSA-N 1 0 261.369 2.165 10 0 CEAERO C[C@@H](C[C@@H](C[NH3+])N1CCn2ccnc2C1)c1ccccc1 ZINC000062248943 524844140 /nfs/dbraw/zinc/84/41/40/524844140.db2.gz AHTKCMSIUBQAQH-HOCLYGCPSA-N 1 0 284.407 2.220 10 0 CEAERO C[C@@H](C[C@](C)([NH3+])C(N)=O)Oc1ccccc1C(F)(F)F ZINC000068654747 524864194 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C[C@]([NH3+])(c1nc2ccccc2n1CCO)c1ccccc1 ZINC000052879227 525149146 /nfs/dbraw/zinc/14/91/46/525149146.db2.gz MJVZHMWXNBTJMJ-QGZVFWFLSA-N 1 0 281.359 2.251 10 0 CEAERO C[C@@H]1CO[C@@H](C)CN1c1ccc(C(N)=[NH2+])cc1Cl ZINC000062794020 525153021 /nfs/dbraw/zinc/15/30/21/525153021.db2.gz XEMBKCFMXBZJFT-BDAKNGLRSA-N 1 0 267.760 2.238 10 0 CEAERO C[C@H](NC(=O)[C@@](C)([NH3+])c1ccccc1)c1cccc(O)c1 ZINC000052881811 525158141 /nfs/dbraw/zinc/15/81/41/525158141.db2.gz SDWUINWTDGUJLR-SJCJKPOMSA-N 1 0 284.359 2.444 10 0 CEAERO C[C@@H]1CSCCN1[C@@H](C[NH3+])c1cccc(F)c1 ZINC000070218988 525171686 /nfs/dbraw/zinc/17/16/86/525171686.db2.gz MVQWKIRKVAWTKP-MFKMUULPSA-N 1 0 254.374 2.263 10 0 CEAERO C[C@]1(C(=O)N2CCC[C@@H]2c2ccc[nH]2)CCC[NH2+]C1 ZINC000062857460 525191351 /nfs/dbraw/zinc/19/13/51/525191351.db2.gz CYENTEWHWFJDLE-HIFRSBDPSA-N 1 0 261.369 2.068 10 0 CEAERO COc1ccc([C@@H](O)C[NH2+]C2(CO)CCCCC2)cc1 ZINC000053097108 525206188 /nfs/dbraw/zinc/20/61/88/525206188.db2.gz MPRFMXGITJTCIT-HNNXBMFYSA-N 1 0 279.380 2.013 10 0 CEAERO COc1ccc([C@@H](O)C[NH2+]C(C)(C)C)c(OC)c1OC ZINC000055029639 525207543 /nfs/dbraw/zinc/20/75/43/525207543.db2.gz SMWGYQJSZGYJHJ-NSHDSACASA-N 1 0 283.368 2.134 10 0 CEAERO COc1ccc([C@@H](O)[C@H]([NH3+])CC(C)C)c(OC)c1 ZINC000054929576 525209583 /nfs/dbraw/zinc/20/95/83/525209583.db2.gz DYHKKSBDXQJYFD-TZMCWYRMSA-N 1 0 253.342 2.111 10 0 CEAERO Cc1cc(NC[C@H]2CCC[NH2+]2)ncc1Br ZINC000163954988 525276571 /nfs/dbraw/zinc/27/65/71/525276571.db2.gz YFVRNHIHUWRXKD-SECBINFHSA-N 1 0 270.174 2.316 10 0 CEAERO COc1ccc([C@H](C)C(=O)NCC[NH2+]C(C)(C)C)cc1 ZINC000153828033 525289001 /nfs/dbraw/zinc/28/90/01/525289001.db2.gz WSEUHJFTWFVIKF-LBPRGKRZSA-N 1 0 278.396 2.303 10 0 CEAERO Cc1ccc(NS(=O)(=O)C[C@H]2CCCC[NH2+]2)cc1C ZINC000049630803 525294001 /nfs/dbraw/zinc/29/40/01/525294001.db2.gz FCDCLSTUAJVHHH-CQSZACIVSA-N 1 0 282.409 2.187 10 0 CEAERO C[C@]1([NH2+][C@H]2CCCc3sccc32)CCS(=O)(=O)C1 ZINC000061326118 525302176 /nfs/dbraw/zinc/30/21/76/525302176.db2.gz PIVHIYDMNQPYEB-AAEUAGOBSA-N 1 0 285.434 2.292 10 0 CEAERO C[C@]1(c2ccc3c(c2)OCCCO3)C[C@H]([NH3+])CCO1 ZINC000070341566 525318625 /nfs/dbraw/zinc/31/86/25/525318625.db2.gz YRIKZDLOCYTIAK-IUODEOHRSA-N 1 0 263.337 2.201 10 0 CEAERO C[C@H]([NH2+]CCC(=O)OCc1ccccc1)[C@@H]1CCCO1 ZINC000183146925 525327185 /nfs/dbraw/zinc/32/71/85/525327185.db2.gz FYLMHSRATWDOEH-ZFWWWQNUSA-N 1 0 277.364 2.277 10 0 CEAERO COc1ccc([C@H]([NH3+])[C@H]2CCOC2)c(Br)c1 ZINC000048626259 525364660 /nfs/dbraw/zinc/36/46/60/525364660.db2.gz XDWMDQCBIOTRBC-QPUJVOFHSA-N 1 0 286.169 2.494 10 0 CEAERO C[C@@H]1C[C@H](C)CN(C(=O)CC[C@@H]2CCCC[NH2+]2)C1 ZINC000050940199 525371786 /nfs/dbraw/zinc/37/17/86/525371786.db2.gz LBZOUSYFIVPKRM-MJBXVCDLSA-N 1 0 252.402 2.413 10 0 CEAERO Cc1cc(O[C@@H](C)C[C@](C)([NH3+])C(N)=O)ccc1C(C)C ZINC000068655755 525379972 /nfs/dbraw/zinc/37/99/72/525379972.db2.gz JGSLJRQPASBPGK-LRDDRELGSA-N 1 0 278.396 2.479 10 0 CEAERO C[C@@H]([NH2+]CCN1CCCCC1)c1ccc(NC(N)=O)cc1 ZINC000049574968 525448914 /nfs/dbraw/zinc/44/89/14/525448914.db2.gz DPLCNHGQAXKKAM-CYBMUJFWSA-N 1 0 290.411 2.314 10 0 CEAERO Cc1ccc(O[C@@H](C)C[C@@](C)([NH2+]C(C)C)C(N)=O)cc1 ZINC000068653543 525462024 /nfs/dbraw/zinc/46/20/24/525462024.db2.gz NVUAGEMFTDEQGO-XJKSGUPXSA-N 1 0 278.396 2.394 10 0 CEAERO Cc1cc([C@@H]2CCCN2C(=O)C[C@@H]2CCC[NH2+]C2)on1 ZINC000054308139 525489030 /nfs/dbraw/zinc/48/90/30/525489030.db2.gz HBBDCCWJQCBXLZ-STQMWFEESA-N 1 0 277.368 2.036 10 0 CEAERO C[C@H]([NH2+][C@@H](C(=O)[O-])c1ccccc1)C1CC[NH+](C)CC1 ZINC000050509511 525519407 /nfs/dbraw/zinc/51/94/07/525519407.db2.gz SHGPUTGMIQCHLP-SWLSCSKDSA-N 1 0 276.380 2.132 10 0 CEAERO C[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)c1ccc(C(C)(C)C)cc1 ZINC000056194656 525588307 /nfs/dbraw/zinc/58/83/07/525588307.db2.gz KLBPIOAAHGOGMO-MNOVXSKESA-N 1 0 291.395 2.218 10 0 CEAERO C[C@H]([NH2+][C@H]1CCCS(=O)(=O)C1)c1ccccc1F ZINC000069136920 525610106 /nfs/dbraw/zinc/61/01/06/525610106.db2.gz IQUIZYLFAQYUPT-QWRGUYRKSA-N 1 0 271.357 2.054 10 0 CEAERO C[C@H]([NH2+][C@H]1CCCS(=O)(=O)C1)c1ccc2c(c1)CCC2 ZINC000069141029 525610768 /nfs/dbraw/zinc/61/07/68/525610768.db2.gz LJUUQNZFWCVLQF-LRDDRELGSA-N 1 0 293.432 2.403 10 0 CEAERO CSC[C@@H](C)CNC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000069444180 525618312 /nfs/dbraw/zinc/61/83/12/525618312.db2.gz BKBRMCUAUNFWMT-ZDEQEGDKSA-N 1 0 270.442 2.022 10 0 CEAERO CSC[C@H](C)C[NH2+]C[C@@H](O)c1ccccc1F ZINC000069448035 525681201 /nfs/dbraw/zinc/68/12/01/525681201.db2.gz NYOTYSPMOHVKJQ-ZWNOBZJWSA-N 1 0 257.374 2.448 10 0 CEAERO CSC[C@H](C)C[NH2+][C@@H]1CS(=O)(=O)c2ccccc21 ZINC000069441266 525682101 /nfs/dbraw/zinc/68/21/01/525682101.db2.gz BXEPGYXZZPOMGD-ZYHUDNBSSA-N 1 0 285.434 2.104 10 0 CEAERO C[C@@H](Nc1nncc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000050163944 525734355 /nfs/dbraw/zinc/73/43/55/525734355.db2.gz CILWEYMYWDTJAT-NEPJUHHUSA-N 1 0 256.353 2.430 10 0 CEAERO C[C@@H](O)CN(C)c1ccccc1C[NH2+]C(C)(C)C ZINC000062738173 525785394 /nfs/dbraw/zinc/78/53/94/525785394.db2.gz XBKVQPHQGVQXFG-GFCCVEGCSA-N 1 0 250.386 2.392 10 0 CEAERO Cc1ccsc1C(=O)N1[C@@H](C[NH3+])CCC[C@@H]1C ZINC000070151774 525820122 /nfs/dbraw/zinc/82/01/22/525820122.db2.gz WOXUXJIOGNBAPP-WDEREUQCSA-N 1 0 252.383 2.398 10 0 CEAERO C[C@@H](OC1CCC([NH3+])CC1)C(=O)NC1CCCCC1 ZINC000055142932 525898072 /nfs/dbraw/zinc/89/80/72/525898072.db2.gz OSENOUMIYGIEPH-LKSINWNRSA-N 1 0 268.401 2.110 10 0 CEAERO C[C@@H](Oc1cc(F)ccc1[C@H](C)[NH3+])C(=O)N1CCCC1 ZINC000062745676 525915896 /nfs/dbraw/zinc/91/58/96/525915896.db2.gz XJANEEVZWONYRL-WDEREUQCSA-N 1 0 280.343 2.235 10 0 CEAERO C[C@H](Oc1cccc(C[NH2+]C(C)(C)C)c1)C(=O)N(C)C ZINC000062731281 525942177 /nfs/dbraw/zinc/94/21/77/525942177.db2.gz CBPWEHCTTBFVAV-LBPRGKRZSA-N 1 0 278.396 2.430 10 0 CEAERO C[C@H](C(=O)N1CCCCCC1)[N@@H+]1CCC[C@@H]1CCCO ZINC000052762234 525966018 /nfs/dbraw/zinc/96/60/18/525966018.db2.gz ARAZYYBQULIDKC-HUUCEWRRSA-N 1 0 282.428 2.014 10 0 CEAERO Cc1ccc(Br)c(C(=O)NC[C@@H]2CC[NH2+]C2)c1 ZINC000161255811 525979952 /nfs/dbraw/zinc/97/99/52/525979952.db2.gz AFDBXLOICZEISD-SNVBAGLBSA-N 1 0 297.196 2.097 10 0 CEAERO C[C@@H]([C@@H](O)c1ccccc1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062941563 526018436 /nfs/dbraw/zinc/01/84/36/526018436.db2.gz PCLCUAPHFRLKCS-USXIJHARSA-N 1 0 274.408 2.279 10 0 CEAERO Cc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1F ZINC000051358418 526100469 /nfs/dbraw/zinc/10/04/69/526100469.db2.gz HQWAAGVEFKASJY-LSDHHAIUSA-N 1 0 276.355 2.491 10 0 CEAERO C[C@@H](c1ccccc1F)n1nnnc1C[NH2+]C(C)(C)C ZINC000054747207 526107482 /nfs/dbraw/zinc/10/74/82/526107482.db2.gz QJFTXSKZOFXFBX-JTQLQIEISA-N 1 0 277.347 2.310 10 0 CEAERO Cc1ccc2c(c1)C(=O)N(C[C@H]([NH3+])c1ccccc1)C2=O ZINC000062838753 526141692 /nfs/dbraw/zinc/14/16/92/526141692.db2.gz ATTBXOVMSHGNAR-HNNXBMFYSA-N 1 0 280.327 2.291 10 0 CEAERO C[C@@H](c1ccncc1)N(C)C(=O)[C@H](C[NH3+])c1ccccc1 ZINC000061612217 526150244 /nfs/dbraw/zinc/15/02/44/526150244.db2.gz YBHYOIOHQMTMTD-XJKSGUPXSA-N 1 0 283.375 2.344 10 0 CEAERO COc1cccc(NC(=O)[C@@H](C[NH3+])c2ccccc2)c1 ZINC000061610913 526195006 /nfs/dbraw/zinc/19/50/06/526195006.db2.gz MNMPYDCPFHCZRB-HNNXBMFYSA-N 1 0 270.332 2.376 10 0 CEAERO COc1cccc(OC)c1C(=O)N[C@H]1CCCCC[C@H]1[NH3+] ZINC000063211343 526216850 /nfs/dbraw/zinc/21/68/50/526216850.db2.gz DZZUEZXRAWBPTL-NEPJUHHUSA-N 1 0 292.379 2.094 10 0 CEAERO Cc1ccc(C(C)C)c(OC[C@@]([NH3+])(C(N)=O)C2CC2)c1 ZINC000069197189 526247868 /nfs/dbraw/zinc/24/78/68/526247868.db2.gz RDJJOFJQDWLNOV-INIZCTEOSA-N 1 0 276.380 2.090 10 0 CEAERO Cc1ccc(C(C)C)cc1OC[C@@]([NH3+])(C(N)=O)C1CC1 ZINC000069194062 526249343 /nfs/dbraw/zinc/24/93/43/526249343.db2.gz HYPFMLHMLXUFJT-INIZCTEOSA-N 1 0 276.380 2.090 10 0 CEAERO Cc1nn(C[C@H]2CC[C@H](C[NH2+]C3CC3)O2)c(C)c1Cl ZINC000052573972 526286283 /nfs/dbraw/zinc/28/62/83/526286283.db2.gz OZNLUCOLWLYYBR-CHWSQXEVSA-N 1 0 283.803 2.453 10 0 CEAERO O[C@H](COc1ccc(C[NH2+]C2CC2)cc1)C(F)(F)F ZINC000068875929 526288551 /nfs/dbraw/zinc/28/85/51/526288551.db2.gz MJEZGEJTIZVUSD-GFCCVEGCSA-N 1 0 275.270 2.241 10 0 CEAERO O=C([O-])[C@H](CC[N@@H+]1CCC[C@@H]1C1CCCC1)[NH2+]C1CC1 ZINC000062461012 526301547 /nfs/dbraw/zinc/30/15/47/526301547.db2.gz NESPDAPFGSOYDR-LSDHHAIUSA-N 1 0 280.412 2.236 10 0 CEAERO Cc1nn([C@H]2CCCC[C@H]2O)c(C)c1C[NH2+]C1CC1 ZINC000054599996 526306975 /nfs/dbraw/zinc/30/69/75/526306975.db2.gz SFAZYBFQDHUMTE-LSDHHAIUSA-N 1 0 263.385 2.228 10 0 CEAERO Oc1ccc(Cc2noc(CCC3CC[NH2+]CC3)n2)cc1 ZINC000050928006 526344459 /nfs/dbraw/zinc/34/44/59/526344459.db2.gz DWLCEEHTYQSGQX-UHFFFAOYSA-N 1 0 287.363 2.298 10 0 CEAERO Fc1ccc(OCC[NH2+]C[C@H]2CCCO2)c(F)c1 ZINC000053563451 526357389 /nfs/dbraw/zinc/35/73/89/526357389.db2.gz ALEMKIGPSLOHTL-LLVKDONJSA-N 1 0 257.280 2.112 10 0 CEAERO Cc1nnc(OCc2cccs2)c(C(N)=[NH2+])c1C ZINC000049585678 526376675 /nfs/dbraw/zinc/37/66/75/526376675.db2.gz GINZHSACUHOMIZ-UHFFFAOYSA-N 1 0 262.338 2.018 10 0 CEAERO c1c(CN2CC[NH2+]C3(CCCC3)C2)nc2ccccn12 ZINC000068693288 526397300 /nfs/dbraw/zinc/39/73/00/526397300.db2.gz FULGAKDOMSLIGI-UHFFFAOYSA-N 1 0 270.380 2.052 10 0 CEAERO c1cc2cnccc2c(C[NH2+]CCN2CCCC2)c1 ZINC000061124973 526449959 /nfs/dbraw/zinc/44/99/59/526449959.db2.gz YANWOPYKNPLIKN-UHFFFAOYSA-N 1 0 255.365 2.420 10 0 CEAERO c1ccc([C@H]2C[NH+]=C(NC[C@H]3CCOC3)S2)cc1 ZINC000061147020 526499248 /nfs/dbraw/zinc/49/92/48/526499248.db2.gz PNXQXQKLZLLRDQ-DGCLKSJQSA-N 1 0 262.378 2.457 10 0 CEAERO c1cn(-c2ccc(C[NH2+]C3CC3)cn2)nc1C1CC1 ZINC000052885252 526524276 /nfs/dbraw/zinc/52/42/76/526524276.db2.gz RVRPKHHEPLKAMQ-UHFFFAOYSA-N 1 0 254.337 2.397 10 0 CEAERO c1cn(-c2ccccc2)nc1COC1CC[NH2+]CC1 ZINC000061641214 526527907 /nfs/dbraw/zinc/52/79/07/526527907.db2.gz SJBZJSKHGURRET-UHFFFAOYSA-N 1 0 257.337 2.141 10 0 CEAERO O=C(CC[C@@H]1CCCC[NH2+]1)N(Cc1ccccn1)C1CC1 ZINC000050946159 526547596 /nfs/dbraw/zinc/54/75/96/526547596.db2.gz WOJMXQDTVHQWDH-AWEZNQCLSA-N 1 0 287.407 2.495 10 0 CEAERO O=C(CC[C@@H]1CCCC[NH2+]1)NCc1cccc(F)c1 ZINC000050941088 526548249 /nfs/dbraw/zinc/54/82/49/526548249.db2.gz AEYXWYVVHRGKCW-AWEZNQCLSA-N 1 0 264.344 2.364 10 0 CEAERO O=C(CC[C@H]1CCCC[NH2+]1)NCc1cccc(F)c1 ZINC000050941091 526565383 /nfs/dbraw/zinc/56/53/83/526565383.db2.gz AEYXWYVVHRGKCW-CQSZACIVSA-N 1 0 264.344 2.364 10 0 CEAERO Cc1oc(CN2C[C@@H](C)OC(C)(C)C2)cc1C[NH3+] ZINC000052543476 526773510 /nfs/dbraw/zinc/77/35/10/526773510.db2.gz IXTAOXNPIRGILK-SNVBAGLBSA-N 1 0 252.358 2.046 10 0 CEAERO NC(=[NH2+])CCN(c1ccccc1)c1ncnc2c1CCC2 ZINC000061276493 526816700 /nfs/dbraw/zinc/81/67/00/526816700.db2.gz DYDFCTUGPDSSTO-UHFFFAOYSA-N 1 0 281.363 2.429 10 0 CEAERO Cc1nc(CN(C)C(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)cs1 ZINC000156151698 526833159 /nfs/dbraw/zinc/83/31/59/526833159.db2.gz JQWHKJLUOJFPPS-AAEUAGOBSA-N 1 0 295.452 2.436 10 0 CEAERO Cc1nc(CN(C)C[C@H](C)C[NH2+]C2CC2)cs1 ZINC000052505762 526840910 /nfs/dbraw/zinc/84/09/10/526840910.db2.gz IZIOGMWVGCZDDT-SNVBAGLBSA-N 1 0 253.415 2.271 10 0 CEAERO Cc1sc(-c2ccco2)nc1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000157953438 526863166 /nfs/dbraw/zinc/86/31/66/526863166.db2.gz KGDMOYRVVXGGFK-JTQLQIEISA-N 1 0 291.376 2.275 10 0 CEAERO Cc1nc(CNC2CC[NH+](C(C)(C)C)CC2)c[nH]1 ZINC000054822367 526887937 /nfs/dbraw/zinc/88/79/37/526887937.db2.gz BRSFXWGEGLWEAC-UHFFFAOYSA-N 1 0 250.390 2.071 10 0 CEAERO Cc1nc(CN[C@H](C[NH+](C)C)c2ccccc2)c[nH]1 ZINC000054798385 526894962 /nfs/dbraw/zinc/89/49/62/526894962.db2.gz SFADNNGFRPVGTC-OAHLLOKOSA-N 1 0 258.369 2.111 10 0 CEAERO Cc1nc(COc2ccccc2)nc(C)c1CC[NH3+] ZINC000054836560 526910062 /nfs/dbraw/zinc/91/00/62/526910062.db2.gz MMEHUVZJPWHSNG-UHFFFAOYSA-N 1 0 257.337 2.174 10 0 CEAERO Clc1cc(CN2CCC[C@H]2[C@@H]2CCC[NH2+]2)ccn1 ZINC000052709701 526925704 /nfs/dbraw/zinc/92/57/04/526925704.db2.gz YIIMMIDHXZJGMB-STQMWFEESA-N 1 0 265.788 2.451 10 0 CEAERO Cc1nc(N2CC[NH+](C3CCCC3)CC2)sc1CO ZINC000055003702 526969055 /nfs/dbraw/zinc/96/90/55/526969055.db2.gz SIKBHBLGGCXRQO-UHFFFAOYSA-N 1 0 281.425 2.008 10 0 CEAERO Cc1nc(N2CCOC(C)(C)C2)sc1[C@@H](C)[NH3+] ZINC000054895944 526971442 /nfs/dbraw/zinc/97/14/42/526971442.db2.gz GHGCGHVWQGDHDG-MRVPVSSYSA-N 1 0 255.387 2.086 10 0 CEAERO O=C1COc2cc(OCCC[NH+]3CCCC3)ccc21 ZINC000062805407 527013953 /nfs/dbraw/zinc/01/39/53/527013953.db2.gz QLMHMLIRNUSGQD-UHFFFAOYSA-N 1 0 261.321 2.126 10 0 CEAERO NC(=O)c1c(Cl)cccc1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000052906096 527018841 /nfs/dbraw/zinc/01/88/41/527018841.db2.gz OFKONOZZYDIHOM-ULKQDVFKSA-N 1 0 279.771 2.134 10 0 CEAERO NC(=O)c1cc(Cl)ccc1N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000052858647 527027161 /nfs/dbraw/zinc/02/71/61/527027161.db2.gz VEAILMWPMLWPPA-CMPLNLGQSA-N 1 0 267.760 2.121 10 0 CEAERO NC(=O)c1ccc(Cl)cc1N[C@H]1CCCC[C@H]1[NH3+] ZINC000062785781 527053530 /nfs/dbraw/zinc/05/35/30/527053530.db2.gz ABJUVXRYQNNRSV-MNOVXSKESA-N 1 0 267.760 2.121 10 0 CEAERO NC(=O)c1ccc(OCC[C@@H]2CCCC[NH2+]2)cc1Cl ZINC000061847595 527072955 /nfs/dbraw/zinc/07/29/55/527072955.db2.gz KZVUAZDNHXZSEG-JTQLQIEISA-N 1 0 282.771 2.350 10 0 CEAERO Cn1c2ccc([C@@H]([NH3+])CC(C)(C)C)cc2n(C)c1=O ZINC000051392457 527106704 /nfs/dbraw/zinc/10/67/04/527106704.db2.gz NAKJESONLNCYCI-NSHDSACASA-N 1 0 261.369 2.313 10 0 CEAERO [NH3+]C1CCC(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000055134137 527139396 /nfs/dbraw/zinc/13/93/96/527139396.db2.gz BDCHDIXLJCSPIB-WUCCLRPBSA-N 1 0 280.412 2.064 10 0 CEAERO Cc1[nH]c2ccc(N3CCN(C(=O)C4CCC4)CC3)cc2[nH+]1 ZINC000062578702 527140154 /nfs/dbraw/zinc/14/01/54/527140154.db2.gz MMGAQZAPAVCBHN-UHFFFAOYSA-N 1 0 298.390 2.320 10 0 CEAERO O=Cc1cc(F)c(N2CC[C@@H]([NH+]3CCCC3)C2)c(F)c1 ZINC000062980966 527145150 /nfs/dbraw/zinc/14/51/50/527145150.db2.gz INUPAIGZJOVWHT-GFCCVEGCSA-N 1 0 280.318 2.452 10 0 CEAERO O=Cc1cnc(N2CCC([NH+]3CCCCC3)CC2)s1 ZINC000054862616 527154486 /nfs/dbraw/zinc/15/44/86/527154486.db2.gz ZMWPLPWSABGXPU-UHFFFAOYSA-N 1 0 279.409 2.410 10 0 CEAERO O=C(C[C@H]1CCCC[NH2+]1)NCc1ccc(F)cc1F ZINC000051017938 527160728 /nfs/dbraw/zinc/16/07/28/527160728.db2.gz JZNWQIMAHCPUIC-GFCCVEGCSA-N 1 0 268.307 2.113 10 0 CEAERO Cc1nc2ccccc2n1Cc1ccnc(C[NH3+])c1 ZINC000068750858 527170979 /nfs/dbraw/zinc/17/09/79/527170979.db2.gz UDGLBDUSCYBXCC-UHFFFAOYSA-N 1 0 252.321 2.247 10 0 CEAERO Cc1nc2ccccc2nc1N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000052099573 527173307 /nfs/dbraw/zinc/17/33/07/527173307.db2.gz VROJOSDJBAWUFU-YHWZYXNKSA-N 1 0 268.364 2.397 10 0 CEAERO [NH3+]CCCc1nnc([C@H]2CCCc3ccccc32)o1 ZINC000054669746 527182954 /nfs/dbraw/zinc/18/29/54/527182954.db2.gz YBLLNIKKIYDRLT-ZDUSSCGKSA-N 1 0 257.337 2.429 10 0 CEAERO [NH3+]CC[C@@H]1CCCCN1CC(=O)Nc1c(F)cccc1F ZINC000070150126 527192173 /nfs/dbraw/zinc/19/21/73/527192173.db2.gz FBKLMAYVODAPFS-NSHDSACASA-N 1 0 297.349 2.107 10 0 CEAERO [NH3+]CC[C@H]1CN(C(=O)c2ccco2)c2ccccc21 ZINC000063128048 527195708 /nfs/dbraw/zinc/19/57/08/527195708.db2.gz HYSQWXPTUBMDNU-NSHDSACASA-N 1 0 256.305 2.372 10 0 CEAERO [NH3+]CCc1ccnc(C23CC4CC(CC(C4)C2)C3)n1 ZINC000055270841 527197664 /nfs/dbraw/zinc/19/76/64/527197664.db2.gz YUJLCQALMUGCAR-UHFFFAOYSA-N 1 0 257.381 2.446 10 0 CEAERO [NH3+]CCc1nccn1Cc1sccc1Br ZINC000052304275 527199284 /nfs/dbraw/zinc/19/92/84/527199284.db2.gz WRQDDKXMPLNQDT-UHFFFAOYSA-N 1 0 286.198 2.257 10 0 CEAERO [NH3+]C[C@@H](C(=O)Nc1cccc2c[nH]nc21)c1ccccc1 ZINC000061611802 527201689 /nfs/dbraw/zinc/20/16/89/527201689.db2.gz ZFJGUADLZOYWBK-CYBMUJFWSA-N 1 0 280.331 2.244 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc(OCC2CC2)cc1 ZINC000157769148 527215253 /nfs/dbraw/zinc/21/52/53/527215253.db2.gz UQRAACJYKYCQTA-GOEBONIOSA-N 1 0 288.391 2.333 10 0 CEAERO O=C(Cc1ccc(C(F)(F)F)cc1)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC000050518233 527218124 /nfs/dbraw/zinc/21/81/24/527218124.db2.gz MOEDJSRHSKJUMX-WCQYABFASA-N 1 0 298.308 2.068 10 0 CEAERO [NH3+]C[C@@]1(N2CCc3sccc3C2)CCCSC1 ZINC000061589859 527222390 /nfs/dbraw/zinc/22/23/90/527222390.db2.gz FBHNBQQWOBTQAQ-ZDUSSCGKSA-N 1 0 268.451 2.331 10 0 CEAERO [NH3+]C[C@H](Oc1cccc(F)c1F)c1cccnc1 ZINC000062612764 527228976 /nfs/dbraw/zinc/22/89/76/527228976.db2.gz IOFAJNANAOBZDX-LBPRGKRZSA-N 1 0 250.248 2.439 10 0 CEAERO O=C(Cc1ccc(O)cc1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000063189031 527238823 /nfs/dbraw/zinc/23/88/23/527238823.db2.gz GKRLJQICIWWNIV-HZPDHXFCSA-N 1 0 288.391 2.068 10 0 CEAERO [NH3+]C[C@H]1CC[C@H](Cn2cc(-c3ccccc3)cn2)O1 ZINC000054962057 527241118 /nfs/dbraw/zinc/24/11/18/527241118.db2.gz DVJGLKFZFGIGLD-HUUCEWRRSA-N 1 0 257.337 2.056 10 0 CEAERO [NH3+]C[C@H]1C[C@H]1c1cc2c(c(Br)c1)OCO2 ZINC000054586971 527242045 /nfs/dbraw/zinc/24/20/45/527242045.db2.gz JDFXGJZAPDDHHT-SFYZADRCSA-N 1 0 270.126 2.240 10 0 CEAERO [NH3+]Cc1cc(OC[C@H]2CCCO2)nc2ccccc12 ZINC000051526339 527250233 /nfs/dbraw/zinc/25/02/33/527250233.db2.gz CFESISCWOIUWDI-GFCCVEGCSA-N 1 0 258.321 2.251 10 0 CEAERO [NH3+]Cc1ccc(CNC(=O)c2cccc(F)c2F)cc1 ZINC000054187440 527252879 /nfs/dbraw/zinc/25/28/79/527252879.db2.gz NOZJCLDMLCRMBR-UHFFFAOYSA-N 1 0 276.286 2.354 10 0 CEAERO [NH3+]Cc1cn(-c2ccccc2Cc2ccccc2)nn1 ZINC000051040656 527262395 /nfs/dbraw/zinc/26/23/95/527262395.db2.gz MCYHPQDEBNRITP-UHFFFAOYSA-N 1 0 264.332 2.317 10 0 CEAERO [NH3+]Cc1nc(OCCc2ccccn2)ccc1Cl ZINC000051543137 527265702 /nfs/dbraw/zinc/26/57/02/527265702.db2.gz UXQANGDMGSCENC-UHFFFAOYSA-N 1 0 263.728 2.210 10 0 CEAERO [NH3+]Cc1nccnc1N1CCC2(CCCCC2)CC1 ZINC000061817949 527267883 /nfs/dbraw/zinc/26/78/83/527267883.db2.gz LTKIBVVYARZSDY-UHFFFAOYSA-N 1 0 260.385 2.486 10 0 CEAERO [NH3+]Cc1sc(N2CCO[C@H]3CCC[C@@H]32)nc1C1CC1 ZINC000069180397 527269085 /nfs/dbraw/zinc/26/90/85/527269085.db2.gz KGFQCBYBSMAQDL-QWRGUYRKSA-N 1 0 279.409 2.237 10 0 CEAERO NNc1cc(C(=O)NC2CCCCCCC2)cc[nH+]1 ZINC000051090242 527271580 /nfs/dbraw/zinc/27/15/80/527271580.db2.gz MWEGZNUHCFXXLS-UHFFFAOYSA-N 1 0 262.357 2.210 10 0 CEAERO NNc1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc[nH+]1 ZINC000051088751 527272043 /nfs/dbraw/zinc/27/20/43/527272043.db2.gz SQLLQAMYIJOZEC-UHFFFAOYSA-N 1 0 286.379 2.066 10 0 CEAERO NNc1ccc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)c[nH+]1 ZINC000051090878 527275628 /nfs/dbraw/zinc/27/56/28/527275628.db2.gz GRQDAYKRGVWKBN-YPMHNXCESA-N 1 0 274.368 2.162 10 0 CEAERO NNc1ccc(C(=O)Nc2ccc3c(c2)CCC3)c[nH+]1 ZINC000051092143 527277525 /nfs/dbraw/zinc/27/75/25/527277525.db2.gz BBSQAFIENLLDEQ-UHFFFAOYSA-N 1 0 268.320 2.108 10 0 CEAERO NNc1[nH+]cccc1COc1cc(F)cc(F)c1 ZINC000054934286 527288314 /nfs/dbraw/zinc/28/83/14/527288314.db2.gz XFFIQWBSYVVVKU-UHFFFAOYSA-N 1 0 251.236 2.224 10 0 CEAERO [NH3+][C@@H](c1ccc2c(c1)CCCC(=O)N2)[C@H]1CCCOC1 ZINC000062230880 527339285 /nfs/dbraw/zinc/33/92/85/527339285.db2.gz NHOBREFWFAXVGL-BBRMVZONSA-N 1 0 274.364 2.388 10 0 CEAERO [NH3+][C@@H]1CC(=O)N(c2cc(Br)ccc2Cl)C1 ZINC000061692325 527340801 /nfs/dbraw/zinc/34/08/01/527340801.db2.gz HRVMUXWORXATFU-SSDOTTSWSA-N 1 0 289.560 2.167 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@H]1NC(=O)c1cc(Cl)c[nH]1 ZINC000063211109 527342005 /nfs/dbraw/zinc/34/20/05/527342005.db2.gz SVCXAXAJICTMOU-NXEZZACHSA-N 1 0 255.749 2.058 10 0 CEAERO [NH3+][C@@H]1CCOC[C@H]1N1CCC2(CCCCC2)CC1 ZINC000061819287 527364562 /nfs/dbraw/zinc/36/45/62/527364562.db2.gz WQZLCJDBKSXTAJ-ZIAGYGMSSA-N 1 0 252.402 2.149 10 0 CEAERO [NH3+][C@H](CNC(=O)Cc1ccsc1)c1ccccc1 ZINC000062838257 527387435 /nfs/dbraw/zinc/38/74/35/527387435.db2.gz IQIQQWPGCKLKBR-CYBMUJFWSA-N 1 0 260.362 2.107 10 0 CEAERO [NH3+][C@H](c1ccccc1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000054681920 527392908 /nfs/dbraw/zinc/39/29/08/527392908.db2.gz BWRHOZKZKTVQEU-HUUCEWRRSA-N 1 0 257.289 2.149 10 0 CEAERO [NH3+][C@H]1CCCCC[C@@H]1NC(=O)CC[C@@H]1CCCCO1 ZINC000069399204 527393692 /nfs/dbraw/zinc/39/36/92/527393692.db2.gz QFUUIVJNQFRKMX-IHRRRGAJSA-N 1 0 268.401 2.112 10 0 CEAERO Cc1nccn1CCN1CC[NH2+][C@H](C2CCCCC2)C1 ZINC000068693873 527427452 /nfs/dbraw/zinc/42/74/52/527427452.db2.gz FIRCSAFRKXSHHH-INIZCTEOSA-N 1 0 276.428 2.046 10 0 CEAERO Nc1ccc2oc(C(=O)NCC[NH+]3CCCCC3)cc2c1 ZINC000049574407 527510642 /nfs/dbraw/zinc/51/06/42/527510642.db2.gz GAMKIMRXXLMUCJ-UHFFFAOYSA-N 1 0 287.363 2.231 10 0 CEAERO Nc1cnccc1O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061702181 527536222 /nfs/dbraw/zinc/53/62/22/527536222.db2.gz GKPBAABOMJNBEY-CQSZACIVSA-N 1 0 269.348 2.317 10 0 CEAERO Cc1nn(-c2nnc(C)c(C)c2C[NH3+])c(C)c1Cl ZINC000050585736 527573769 /nfs/dbraw/zinc/57/37/69/527573769.db2.gz RAJPHJLLAVUEHN-UHFFFAOYSA-N 1 0 265.748 2.008 10 0 CEAERO OC[C@H]([NH2+]C[C@H]1CCCO1)c1cccc2cccnc21 ZINC000069504737 527608957 /nfs/dbraw/zinc/60/89/57/527608957.db2.gz WFQURJXNJXWUQF-HIFRSBDPSA-N 1 0 272.348 2.037 10 0 CEAERO OCc1cccc(N2CCC([NH+]3CCCCC3)CC2)n1 ZINC000051041916 527636725 /nfs/dbraw/zinc/63/67/25/527636725.db2.gz XWNLEIOBUAMNJG-UHFFFAOYSA-N 1 0 275.396 2.029 10 0 CEAERO O[C@@H](C[NH2+]CCc1ccsc1)c1ccc2c(c1)OCO2 ZINC000049180967 527651834 /nfs/dbraw/zinc/65/18/34/527651834.db2.gz HQDHUWKUUFYRFA-ZDUSSCGKSA-N 1 0 291.372 2.343 10 0 CEAERO O[C@@H](C[NH2+][C@H]1CCOc2ccccc21)c1ccco1 ZINC000070140987 527655515 /nfs/dbraw/zinc/65/55/15/527655515.db2.gz ZZGISHMNNPVLNZ-STQMWFEESA-N 1 0 259.305 2.426 10 0 CEAERO FC(F)(F)C(F)(F)c1nc([C@H]2CCC[NH2+]C2)no1 ZINC000062257414 527662929 /nfs/dbraw/zinc/66/29/29/527662929.db2.gz XRPWYBUYSWHINF-YFKPBYRVSA-N 1 0 271.189 2.191 10 0 CEAERO FC(F)(F)Cn1c2ccccc2nc1CN1CC[NH2+]CC1 ZINC000052125670 527673428 /nfs/dbraw/zinc/67/34/28/527673428.db2.gz LJCQLBJOGHEQSL-UHFFFAOYSA-N 1 0 298.312 2.004 10 0 CEAERO CCO[C@@H]1C[C@@H]([N@H+](C)CCN2CCCC2=O)C12CCCC2 ZINC000121124996 527801071 /nfs/dbraw/zinc/80/10/71/527801071.db2.gz QDZPPNQCPAWEEU-HUUCEWRRSA-N 1 0 294.439 2.278 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)C1CC1 ZINC000179022864 527979577 /nfs/dbraw/zinc/97/95/77/527979577.db2.gz ILFAWSOTNPRUOI-GXTWGEPZSA-N 1 0 267.417 2.205 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)C1CC1 ZINC000179022882 527979704 /nfs/dbraw/zinc/97/97/04/527979704.db2.gz ILFAWSOTNPRUOI-TZMCWYRMSA-N 1 0 267.417 2.205 10 0 CEAERO CC(C)n1ccnc1C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000412052159 528605656 /nfs/dbraw/zinc/60/56/56/528605656.db2.gz XKSHUZQMLSHKSO-MJBXVCDLSA-N 1 0 263.385 2.057 10 0 CEAERO CCCn1cc(C[NH2+][C@H](CC(C)C)CN(C)C)cn1 ZINC000116916432 528846612 /nfs/dbraw/zinc/84/66/12/528846612.db2.gz XLVMPCBOFUHQGY-OAHLLOKOSA-N 1 0 266.433 2.359 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](C)C(C)C ZINC000176392336 529066250 /nfs/dbraw/zinc/06/62/50/529066250.db2.gz DEMMSRLTYHCTRB-ZIAGYGMSSA-N 1 0 269.433 2.404 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1csc(C)n1 ZINC000175358050 529068195 /nfs/dbraw/zinc/06/81/95/529068195.db2.gz ZVPAGUOFNCVHHH-CYBMUJFWSA-N 1 0 253.415 2.368 10 0 CEAERO CCC[NH2+][C@H](C)C1CCN(c2ccc(C)nn2)CC1 ZINC000111717547 535191882 /nfs/dbraw/zinc/19/18/82/535191882.db2.gz UPZBTIJZMYYENP-CYBMUJFWSA-N 1 0 262.401 2.390 10 0 CEAERO CCCS(=O)(=O)c1ccc(N2CC[NH2+]C[C@H]2CC)cc1 ZINC000110678399 535306712 /nfs/dbraw/zinc/30/67/12/535306712.db2.gz PSJCDFQNJZFZSG-CYBMUJFWSA-N 1 0 296.436 2.059 10 0 CEAERO CC[NH2+][C@H]1CCN(CCC(=O)N(C)C)c2ccccc21 ZINC000071378030 535516545 /nfs/dbraw/zinc/51/65/45/535516545.db2.gz ASZRDBNWJOCNJK-AWEZNQCLSA-N 1 0 275.396 2.026 10 0 CEAERO C[NH2+][C@@H](C)c1c(F)cccc1N1CCC(O)CC1 ZINC000034839953 536351053 /nfs/dbraw/zinc/35/10/53/536351053.db2.gz NXZJPTSNOTWSPS-JTQLQIEISA-N 1 0 252.333 2.067 10 0 CEAERO C[NH2+][C@@](C)(CO)CCCN1CCCc2ccccc21 ZINC000085238987 536378216 /nfs/dbraw/zinc/37/82/16/536378216.db2.gz MIXPTKPTTRHPDM-MRXNPFEDSA-N 1 0 262.397 2.190 10 0 CEAERO CN1CCN(C(=O)C(C)(C)C(C)(C)[NH3+])c2ccccc21 ZINC000087629928 536400471 /nfs/dbraw/zinc/40/04/71/536400471.db2.gz GKNKRJXXDDACLY-UHFFFAOYSA-N 1 0 275.396 2.233 10 0 CEAERO COC(=O)c1ccc(N2CCCC[C@@H]2[C@@H](C)[NH3+])c(F)c1F ZINC000094272064 536732330 /nfs/dbraw/zinc/73/23/30/536732330.db2.gz HWASUTUXAGAGCQ-MWLCHTKSSA-N 1 0 298.333 2.458 10 0 CEAERO CC[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1CCOCC1CC1 ZINC000227599979 538763226 /nfs/dbraw/zinc/76/32/26/538763226.db2.gz XLMHFORZPCKFBB-HZPDHXFCSA-N 1 0 266.429 2.362 10 0 CEAERO CC(C)C1CCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000227430862 538836997 /nfs/dbraw/zinc/83/69/97/538836997.db2.gz YEHANQGDFQLTCL-KGLIPLIRSA-N 1 0 252.402 2.256 10 0 CEAERO C[C@]1(C(=O)N[C@H]2CCCc3sccc32)CCC[NH2+]1 ZINC000079521199 538887077 /nfs/dbraw/zinc/88/70/77/538887077.db2.gz XUGWDKKDGJITFG-SMDDNHRTSA-N 1 0 264.394 2.384 10 0 CEAERO C[C@H]1Cc2ccccc2N(C(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000079521571 538887215 /nfs/dbraw/zinc/88/72/15/538887215.db2.gz LCOBNBZQKUUGKV-LRDDRELGSA-N 1 0 258.365 2.354 10 0 CEAERO Cc1nn(C)c2sc([C@@H]3[NH2+][C@H](C)CC[C@@H]3N)cc12 ZINC000757215980 574513085 /nfs/dbraw/zinc/51/30/85/574513085.db2.gz ORLSVWDDLPEBGU-INNHCVQGSA-N 1 0 264.398 2.084 10 0 CEAERO CC1(C)CCN(S(=O)(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000757153360 574511083 /nfs/dbraw/zinc/51/10/83/574511083.db2.gz ORAWQQRBCRPKJF-AWEZNQCLSA-N 1 0 296.436 2.138 10 0 CEAERO CCOC(=O)[C@H]1CC[C@@H](c2ccc(C=O)s2)[NH2+]C1 ZINC000757216538 574513401 /nfs/dbraw/zinc/51/34/01/574513401.db2.gz QDUUQDQYQJXYGE-ONGXEEELSA-N 1 0 267.350 2.164 10 0 CEAERO CC(C)(C)c1cn([C@H]2CCOC3(CC[NH2+]CC3)C2)nn1 ZINC000725272037 567925089 /nfs/dbraw/zinc/92/50/89/567925089.db2.gz FWVNBKWMLYDGIB-LBPRGKRZSA-N 1 0 278.400 2.049 10 0 CEAERO C[C@@H]1CN(C(=O)c2cc3ccccc3s2)C[C@H]1[NH3+] ZINC000235374966 625348680 /nfs/dbraw/zinc/34/86/80/625348680.db2.gz LZOZZXNCPAZWJO-MWLCHTKSSA-N 1 0 260.362 2.321 10 0 CEAERO Cc1ncsc1[C@H]1C[NH2+]C[C@@H]1C(=O)OC(C)(C)C ZINC000757191322 622964372 /nfs/dbraw/zinc/96/43/72/622964372.db2.gz UHOZQSWWLWMBTI-UWVGGRQHSA-N 1 0 268.382 2.096 10 0 CEAERO C[C@@H](Nc1nnc(C(F)F)s1)[C@@H]1CCC[NH2+]C1 ZINC000261546585 623366909 /nfs/dbraw/zinc/36/69/09/623366909.db2.gz HBUCWKXLKKOHEP-RNFRBKRXSA-N 1 0 262.329 2.276 10 0 CEAERO CN(C)c1ccccc1NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000261578714 623383203 /nfs/dbraw/zinc/38/32/03/623383203.db2.gz DJPUQUNDRCYCJU-GFCCVEGCSA-N 1 0 261.369 2.223 10 0 CEAERO CC(C)Cc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)NC2=O)cc1 ZINC000089755276 623469692 /nfs/dbraw/zinc/46/96/92/623469692.db2.gz RZRYXZGSKBTGPQ-SWLSCSKDSA-N 1 0 288.391 2.341 10 0 CEAERO C[C@H]1CN(C(=O)c2cc(Cl)ccc2Cl)C[C@H]1[NH3+] ZINC000235656690 625696977 /nfs/dbraw/zinc/69/69/77/625696977.db2.gz SRKRLPYKGKMNTE-WRWORJQWSA-N 1 0 273.163 2.413 10 0 CEAERO C[C@H]1CN(C(=O)c2cc(Cl)ccc2Cl)C[C@@H]1[NH3+] ZINC000235656647 625697851 /nfs/dbraw/zinc/69/78/51/625697851.db2.gz SRKRLPYKGKMNTE-CPCISQLKSA-N 1 0 273.163 2.413 10 0 CEAERO C[C@H]1CN(C(=O)c2ccc(F)c(C(F)(F)F)c2)C[C@@H]1[NH3+] ZINC000235642156 624757482 /nfs/dbraw/zinc/75/74/82/624757482.db2.gz NYCFLSSVTVIYBY-CPCISQLKSA-N 1 0 290.260 2.264 10 0 CEAERO Cc1cnc([C@H](C)NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)o1 ZINC000261642608 624971493 /nfs/dbraw/zinc/97/14/93/624971493.db2.gz LUVXJJZFQWSGKT-RVMXOQNASA-N 1 0 277.368 2.081 10 0 CEAERO c1cc2c(s1)CCO[C@H]2C[NH2+][C@@H]1CCSC1 ZINC000309647112 625228548 /nfs/dbraw/zinc/22/85/48/625228548.db2.gz WHWGGXIXIZGZOS-KOLCDFICSA-N 1 0 255.408 2.457 10 0 CEAERO [NH3+][C@@H]1CC[C@H](CNc2ccc(OC(F)F)cn2)C1 ZINC000328072806 627772822 /nfs/dbraw/zinc/77/28/22/627772822.db2.gz RRONGOMBIYGLSX-DTWKUNHWSA-N 1 0 257.284 2.222 10 0 CEAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CC1(O)CCCCC1 ZINC000178309892 627781309 /nfs/dbraw/zinc/78/13/09/627781309.db2.gz HNBMJAWIGIKRMU-HNNXBMFYSA-N 1 0 277.412 2.351 10 0 CEAERO CCN1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]2C)C1 ZINC000328531000 627889122 /nfs/dbraw/zinc/88/91/22/627889122.db2.gz XLFWQYWOXIAOTK-RYQLBKOJSA-N 1 0 287.451 2.333 10 0 CEAERO CC[C@H](COC)[NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC000309861722 628066171 /nfs/dbraw/zinc/06/61/71/628066171.db2.gz IWGBMPNPODEJQA-VXGBXAGGSA-N 1 0 274.405 2.256 10 0 CEAERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)O)c(Br)c1 ZINC000309912565 628141848 /nfs/dbraw/zinc/14/18/48/628141848.db2.gz NOCKCJTXRYNXNV-IUCAKERBSA-N 1 0 288.185 2.317 10 0 CEAERO C[N@@H+]1CCC[C@H]2CN(C(=O)N3CCCCC3)CC[C@H]21 ZINC000228312154 628142808 /nfs/dbraw/zinc/14/28/08/628142808.db2.gz LEYIEPRNFNQOQD-UONOGXRCSA-N 1 0 265.401 2.008 10 0 CEAERO CO[C@@H](C[NH3+])Cc1nc(C(C2CCC2)C2CCC2)no1 ZINC000312225285 628191957 /nfs/dbraw/zinc/19/19/57/628191957.db2.gz CCGWYFPJUFGSLP-GFCCVEGCSA-N 1 0 279.384 2.270 10 0 CEAERO C[NH2+]C[C@@H]1CCCCN1c1ncnc2sccc21 ZINC000053706636 628512846 /nfs/dbraw/zinc/51/28/46/628512846.db2.gz SFDMLECYVKBGNI-JTQLQIEISA-N 1 0 262.382 2.270 10 0 CEAERO COCC1(c2noc(C[C@@H]3CCC[NH2+]C3)n2)CCCC1 ZINC000312919796 628557418 /nfs/dbraw/zinc/55/74/18/628557418.db2.gz CIZKJWRMESKEDX-LBPRGKRZSA-N 1 0 279.384 2.070 10 0 CEAERO CCCCSCCC(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000236768423 628705763 /nfs/dbraw/zinc/70/57/63/628705763.db2.gz ANARVYLXWPPFSA-NWDGAFQWSA-N 1 0 258.431 2.153 10 0 CEAERO OCCN1CCC([NH2+]Cc2ccc(F)c(Cl)c2)CC1 ZINC000399035828 628771277 /nfs/dbraw/zinc/77/12/77/628771277.db2.gz OAYCMGHADDNMEA-UHFFFAOYSA-N 1 0 286.778 2.025 10 0 CEAERO c1ccc(CC[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000094365974 628812916 /nfs/dbraw/zinc/81/29/16/628812916.db2.gz YYPSJDIETCMPER-CVEARBPZSA-N 1 0 261.365 2.157 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCCC(C)(C)CC1 ZINC000094648638 628870082 /nfs/dbraw/zinc/87/00/82/628870082.db2.gz DTUWOOVXQKSYFI-QWHCGFSZSA-N 1 0 252.402 2.413 10 0 CEAERO Brc1cnccc1N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261571725 628939058 /nfs/dbraw/zinc/93/90/58/628939058.db2.gz HTYXWFZKLWKKQY-GFCCVEGCSA-N 1 0 282.185 2.034 10 0 CEAERO CC(C)c1nn(C)cc1NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000261587537 628941515 /nfs/dbraw/zinc/94/15/15/628941515.db2.gz JOEXNOJDRFJMGJ-LLVKDONJSA-N 1 0 264.373 2.014 10 0 CEAERO CCCC[C@H](CC)C(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC000222585510 629183115 /nfs/dbraw/zinc/18/31/15/629183115.db2.gz DSCOIUCWADWQAW-GXTWGEPZSA-N 1 0 252.402 2.413 10 0 CEAERO C[C@H](Cc1ccccc1)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000178867313 629227919 /nfs/dbraw/zinc/22/79/19/629227919.db2.gz FYUNLXKGTXWYED-KGLIPLIRSA-N 1 0 274.408 2.451 10 0 CEAERO CCCCCCOCC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000159023593 629257696 /nfs/dbraw/zinc/25/76/96/629257696.db2.gz XCHOOLVDYJADBV-LSDHHAIUSA-N 1 0 284.444 2.428 10 0 CEAERO CCc1ccc([C@H](C)NC(=O)[C@@H]([NH3+])C2CCOCC2)cc1 ZINC000261894064 629305740 /nfs/dbraw/zinc/30/57/40/629305740.db2.gz VWRQGNOKSMSEFF-LRDDRELGSA-N 1 0 290.407 2.180 10 0 CEAERO COC[C@H]([NH3+])C(=O)N(Cc1ccsc1)c1ccccc1 ZINC000262052411 629608069 /nfs/dbraw/zinc/60/80/69/629608069.db2.gz HPLJXYJKOWPPPP-AWEZNQCLSA-N 1 0 290.388 2.255 10 0 CEAERO C[C@@H]1SCC[C@]12C[NH2+]C[C@H]2C(=O)OC(C)(C)C ZINC000757184091 631830099 /nfs/dbraw/zinc/83/00/99/631830099.db2.gz IXTKJVJNJMFGQE-KWBADKCTSA-N 1 0 257.399 2.059 10 0 CEAERO COc1cccnc1-c1ccc(F)c2c1O[C@@H](C[NH3+])C2 ZINC000067821265 634258467 /nfs/dbraw/zinc/25/84/67/634258467.db2.gz DKFUALGYAQPHTG-SECBINFHSA-N 1 0 274.295 2.159 10 0 CEAERO Brc1ccc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC000156369678 639346583 /nfs/dbraw/zinc/34/65/83/639346583.db2.gz YRNPOGCDCOGILB-MNOVXSKESA-N 1 0 282.185 2.175 10 0 CEAERO Cc1cccc(F)c1NC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000225044326 639476336 /nfs/dbraw/zinc/47/63/36/639476336.db2.gz HJRZPBRZWUMCQI-WDEREUQCSA-N 1 0 250.317 2.461 10 0 CEAERO COc1cc(-c2noc([C@@H]3CC[C@H]([NH3+])C3)n2)ccc1F ZINC000225481784 639498765 /nfs/dbraw/zinc/49/87/65/639498765.db2.gz KJUUOWKLZYCJIT-ZJUUUORDSA-N 1 0 277.299 2.479 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1cc(Cl)nc(Cl)c1 ZINC000157769769 639523104 /nfs/dbraw/zinc/52/31/04/639523104.db2.gz PHCMPSZCVWBZEI-IONNQARKSA-N 1 0 288.178 2.246 10 0 CEAERO CCCOc1ccnc(N2CCC([NH2+]CC3CC3)CC2)n1 ZINC000226656964 639561736 /nfs/dbraw/zinc/56/17/36/639561736.db2.gz SLNUJEFNLCBQRA-UHFFFAOYSA-N 1 0 290.411 2.234 10 0 CEAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CCCCCCO ZINC000226838927 639566892 /nfs/dbraw/zinc/56/68/92/639566892.db2.gz UXXJVAFLSWSITK-HUUCEWRRSA-N 1 0 254.418 2.098 10 0 CEAERO CO[C@H](c1noc(C[C@@H]([NH3+])c2ccccc2)n1)C1CC1 ZINC000227332835 639584720 /nfs/dbraw/zinc/58/47/20/639584720.db2.gz OLMKZYBGXQLISY-OCCSQVGLSA-N 1 0 273.336 2.410 10 0 CEAERO C[C@@H]1CCC[C@@H]1OC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000227511148 639593869 /nfs/dbraw/zinc/59/38/69/639593869.db2.gz HUQYCVYAODPYGC-ILXRZTDVSA-N 1 0 255.402 2.284 10 0 CEAERO COC(=O)[C@@H]1C[N@H+](C[C@@H]2Cc3ccccc32)C[C@@H]1C ZINC000227824259 639607626 /nfs/dbraw/zinc/60/76/26/639607626.db2.gz SUSWNCWXQXDAHE-CORIIIEPSA-N 1 0 259.349 2.067 10 0 CEAERO C[C@H](C[C@H](C)[NH3+])Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000228268736 639627216 /nfs/dbraw/zinc/62/72/16/639627216.db2.gz MYLHTPHYZRHIHH-DTWKUNHWSA-N 1 0 292.351 2.221 10 0 CEAERO Cc1nc2ccccc2nc1N[C@H]1CCC[NH2+][C@@H]1C ZINC000229607035 639710632 /nfs/dbraw/zinc/71/06/32/639710632.db2.gz JAOPGAQJEYZZSM-PWSUYJOCSA-N 1 0 256.353 2.491 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000061883009 639727329 /nfs/dbraw/zinc/72/73/29/639727329.db2.gz WNDBSBNWUHSKGJ-ULRUDBTPSA-N 1 0 276.424 2.446 10 0 CEAERO CCc1noc([C@H](C)N2CC[NH+](C[Si](C)(C)C)CC2)n1 ZINC000171746343 639728982 /nfs/dbraw/zinc/72/89/82/639728982.db2.gz IRSUKXBCYFEJAX-LBPRGKRZSA-N 1 0 296.491 2.188 10 0 CEAERO CN(Cc1cccnc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000231459568 639856687 /nfs/dbraw/zinc/85/66/87/639856687.db2.gz QPPDZUZDTQALSC-GFCCVEGCSA-N 1 0 253.777 2.309 10 0 CEAERO CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@@H]1CCOc2ccccc21 ZINC000232823879 640393102 /nfs/dbraw/zinc/39/31/02/640393102.db2.gz AAKVQDQTWUXJCF-UKRRQHHQSA-N 1 0 288.391 2.405 10 0 CEAERO [NH3+]CCN(Cc1cccc(Cl)c1)C[C@H]1CCCO1 ZINC000032116253 640445172 /nfs/dbraw/zinc/44/51/72/640445172.db2.gz FUKLFSVTNRZHJG-CQSZACIVSA-N 1 0 268.788 2.280 10 0 CEAERO CN(C)c1ccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089451190 640463960 /nfs/dbraw/zinc/46/39/60/640463960.db2.gz CDLKUNBXLZAFNH-FZMZJTMJSA-N 1 0 261.369 2.066 10 0 CEAERO CC(C)(C)[C@H](O)C[NH2+]CC[C@@H](O)c1ccccc1 ZINC000324600535 640688272 /nfs/dbraw/zinc/68/82/72/640688272.db2.gz IQGUCYCQBJAJES-ZIAGYGMSSA-N 1 0 251.370 2.107 10 0 CEAERO C[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000237545542 641348764 /nfs/dbraw/zinc/34/87/64/641348764.db2.gz PKFINMYOOGAUMD-HIFRSBDPSA-N 1 0 260.381 2.063 10 0 CEAERO Cc1ccc(-c2cc(C(=O)N[C@H]3CCC[C@@H]3C[NH3+])[nH]n2)cc1 ZINC000237708584 641374030 /nfs/dbraw/zinc/37/40/30/641374030.db2.gz WQXURIVGTWPDEL-KGLIPLIRSA-N 1 0 298.390 2.242 10 0 CEAERO C[NH+](C)[C@@H]1CCN(Cn2nc(Cl)c3ccccc32)C1 ZINC000180368531 641455032 /nfs/dbraw/zinc/45/50/32/641455032.db2.gz MHAWMFPEAOCCKZ-LLVKDONJSA-N 1 0 278.787 2.283 10 0 CEAERO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2CCO[C@@H](C)C2)cc1F ZINC000181366405 641543922 /nfs/dbraw/zinc/54/39/22/641543922.db2.gz CGZFNUJLSHQIGD-QWHCGFSZSA-N 1 0 294.370 2.032 10 0 CEAERO c1cnc2cc(-c3noc([C@H]4CCC[NH2+]4)n3)ccc2n1 ZINC000070432499 641664114 /nfs/dbraw/zinc/66/41/14/641664114.db2.gz ADVMBHGFAMNCRO-LLVKDONJSA-N 1 0 267.292 2.104 10 0 CEAERO CC(C)[C@@H]([NH3+])Cc1nc(Cc2ccc(F)cc2F)no1 ZINC000080985989 641824208 /nfs/dbraw/zinc/82/42/08/641824208.db2.gz IOKAVHSGUZGGIU-LBPRGKRZSA-N 1 0 281.306 2.464 10 0 CEAERO CCC(CC)(C[NH3+])NS(=O)(=O)/C=C/c1ccccc1 ZINC000109706013 642883703 /nfs/dbraw/zinc/88/37/03/642883703.db2.gz PWKJNFCGHMTFRN-ZHACJKMWSA-N 1 0 282.409 2.094 10 0 CEAERO Cc1c[nH+]ccc1NC[C@@H]1CCCO[C@H]1c1nccn1C ZINC000858008106 645045941 /nfs/dbraw/zinc/04/59/41/645045941.db2.gz JBJIZQHBTYNMMQ-DZGCQCFKSA-N 1 0 286.379 2.125 10 0 CEAERO CC[NH+](CC)Cc1ccccc1CNC(=O)n1ccnc1 ZINC000123524850 649038466 /nfs/dbraw/zinc/03/84/66/649038466.db2.gz XNERCAZRUNXNQA-UHFFFAOYSA-N 1 0 286.379 2.483 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000128116496 651365875 /nfs/dbraw/zinc/36/58/75/651365875.db2.gz LFODJNFFCPLDJI-BPCQOVAHSA-N 1 0 294.361 2.418 10 0 CEAERO C[C@H]([NH2+]CC[S@](C)=O)c1cccc(Br)c1 ZINC000128674118 651535171 /nfs/dbraw/zinc/53/51/71/651535171.db2.gz LAQRFZNSFDMOMQ-BJOHPYRUSA-N 1 0 290.226 2.478 10 0 CEAERO C[C@@]1(CNc2ccc(C(F)(F)F)nn2)CCC[NH2+]C1 ZINC000129370545 651933287 /nfs/dbraw/zinc/93/32/87/651933287.db2.gz MPYYHYHBEOXOSD-LLVKDONJSA-N 1 0 274.290 2.297 10 0 CEAERO CC1(CNc2nc(C3CC3)ns2)CC[NH2+]CC1 ZINC000129426942 651952427 /nfs/dbraw/zinc/95/24/27/651952427.db2.gz MLAPHJAACQHJCM-UHFFFAOYSA-N 1 0 252.387 2.217 10 0 CEAERO CCC1CCC(c2noc(C[C@H]3COCC[NH2+]3)n2)CC1 ZINC000129640682 652056948 /nfs/dbraw/zinc/05/69/48/652056948.db2.gz VAFZGVFLYZHGDK-BPCQOVAHSA-N 1 0 279.384 2.284 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc(F)c(Cl)c1 ZINC000212935347 652216743 /nfs/dbraw/zinc/21/67/43/652216743.db2.gz UWJREFGAXPFDDI-SKDRFNHKSA-N 1 0 270.735 2.336 10 0 CEAERO COc1cc(C)nc(CN2CCC[C@H](C(C)=O)C2)c1 ZINC000214118679 652354676 /nfs/dbraw/zinc/35/46/76/652354676.db2.gz LGKHMKQAXZRSLI-ZDUSSCGKSA-N 1 0 262.353 2.200 10 0 CEAERO Cc1cc(F)ccc1-c1noc(C2(N)CCOCC2)n1 ZINC000131890736 652479135 /nfs/dbraw/zinc/47/91/35/652479135.db2.gz VJJGGMJXAIMYBG-UHFFFAOYSA-N 1 0 277.299 2.149 10 0 CEAERO Clc1cc(N2CC[NH+](C3CCCC3)CC2)ncn1 ZINC000052064206 721851829 /nfs/dbraw/zinc/85/18/29/721851829.db2.gz BQUBUXRHUWJRET-UHFFFAOYSA-N 1 0 266.776 2.195 10 0 CEAERO C[NH2+][C@@H](C[S@](=O)Cc1ccccc1C)C1CC1 ZINC000081997249 177916350 /nfs/dbraw/zinc/91/63/50/177916350.db2.gz GANDMLKKNVQAFW-YOEHRIQHSA-N 1 0 251.395 2.242 10 0 CEAERO COCCC[S@](=O)C[C@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000081999314 177916659 /nfs/dbraw/zinc/91/66/59/177916659.db2.gz KOSHPNKSQLFHEH-WGDOCDQASA-N 1 0 299.480 2.315 10 0 CEAERO [NH3+]CCCC(=O)Nc1ccc(-c2cccnc2)cc1 ZINC000082257097 177930658 /nfs/dbraw/zinc/93/06/58/177930658.db2.gz CMFOMRMGSJYLFP-UHFFFAOYSA-N 1 0 255.321 2.426 10 0 CEAERO CC(C)(NC(=O)NC1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000082274231 177941665 /nfs/dbraw/zinc/94/16/65/177941665.db2.gz MEKFYVNRQGCQKQ-UHFFFAOYSA-N 1 0 279.359 2.112 10 0 CEAERO CCN(c1ncccc1Br)[C@H]1CCC[NH2+]C1 ZINC000082501171 178065800 /nfs/dbraw/zinc/06/58/00/178065800.db2.gz ODPNLMIQTFVVLI-JTQLQIEISA-N 1 0 284.201 2.422 10 0 CEAERO COc1cccc([C@H]([NH3+])C2CCOCC2)c1OC ZINC000095825602 185028683 /nfs/dbraw/zinc/02/86/83/185028683.db2.gz AVIKIRVILLMLKQ-CYBMUJFWSA-N 1 0 251.326 2.130 10 0 CEAERO CN(C)c1nnc(S[C@@H](C[NH3+])C(C)(C)C)s1 ZINC000082580059 178119177 /nfs/dbraw/zinc/11/91/77/178119177.db2.gz XQWYOLBWTUPEQT-ZETCQYMHSA-N 1 0 260.432 2.070 10 0 CEAERO [NH3+][C@@H](Cc1ncc[nH]1)c1sccc1Br ZINC000082613856 178126411 /nfs/dbraw/zinc/12/64/11/178126411.db2.gz VPKSVPJUUAPVIL-ZETCQYMHSA-N 1 0 272.171 2.476 10 0 CEAERO C[NH2+]Cc1ccc(Br)cc1Sc1nc[nH]n1 ZINC000082615991 178126586 /nfs/dbraw/zinc/12/65/86/178126586.db2.gz RIYFKADTGVDYPJ-UHFFFAOYSA-N 1 0 299.197 2.438 10 0 CEAERO OC[C@H]1CCC2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000095937365 185034450 /nfs/dbraw/zinc/03/44/50/185034450.db2.gz FEIPBEMSUMTAJW-OAHLLOKOSA-N 1 0 261.365 2.193 10 0 CEAERO C[NH+]1CCC(NC(=O)N[C@@H]2CCC23CCCC3)CC1 ZINC000336322997 365555512 /nfs/dbraw/zinc/55/55/12/365555512.db2.gz RSVLHGCAARTIBA-CYBMUJFWSA-N 1 0 265.401 2.103 10 0 CEAERO C[NH+](C)Cc1cnc2cc(Br)ccn12 ZINC000082695025 178190953 /nfs/dbraw/zinc/19/09/53/178190953.db2.gz CUZYDUILPAWZKT-UHFFFAOYSA-N 1 0 254.131 2.158 10 0 CEAERO c1c2nc([C@@H]3CCCC[NH2+]3)[nH]c2cc2c1OCCO2 ZINC000034939136 361798311 /nfs/dbraw/zinc/79/83/11/361798311.db2.gz PNLHOTANJFUFIJ-VIFPVBQESA-N 1 0 259.309 2.149 10 0 CEAERO Fc1ccc2[nH]cc(CCCN3CC[NH2+]CC3)c2c1 ZINC000034412737 361790052 /nfs/dbraw/zinc/79/00/52/361790052.db2.gz PZZUNARSWGHFCR-UHFFFAOYSA-N 1 0 261.344 2.145 10 0 CEAERO C[NH2+][C@@H](C)C[S@](=O)c1ccc(Br)cc1 ZINC000082747030 178268871 /nfs/dbraw/zinc/26/88/71/178268871.db2.gz DMHMXVDWDCCVIN-RMLUDKJBSA-N 1 0 276.199 2.165 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1[S@](=O)c1ccccc1Br ZINC000082748616 178269892 /nfs/dbraw/zinc/26/98/92/178269892.db2.gz MJCVNKZLNYHHLU-ISOBSLSZSA-N 1 0 288.210 2.437 10 0 CEAERO C[C@H]([NH3+])C[C@H](C)S(=O)(=O)c1ccccc1Cl ZINC000082798379 178301443 /nfs/dbraw/zinc/30/14/43/178301443.db2.gz HUKBADQTGUKDKS-IUCAKERBSA-N 1 0 261.774 2.240 10 0 CEAERO C[NH2+][C@@H](C)C[C@H](C)Sc1nnc(N(C)C)s1 ZINC000082799068 178302147 /nfs/dbraw/zinc/30/21/47/178302147.db2.gz NMVDNIOCANJYJT-YUMQZZPRSA-N 1 0 260.432 2.083 10 0 CEAERO CC[C@@H]1[NH2+]CCC[C@]12CCC(=O)N2Cc1ccncc1 ZINC000096088862 185093375 /nfs/dbraw/zinc/09/33/75/185093375.db2.gz PNTHOLONQJBTRY-HOCLYGCPSA-N 1 0 273.380 2.105 10 0 CEAERO C[NH+](C)CCc1nc2cc(Br)ccc2[nH]1 ZINC000082821839 178317134 /nfs/dbraw/zinc/31/71/34/178317134.db2.gz WKJWWIIDPVBCLW-UHFFFAOYSA-N 1 0 268.158 2.430 10 0 CEAERO CCC[NH2+][C@@H](CO)CSc1ncccc1Cl ZINC000082905475 178329496 /nfs/dbraw/zinc/32/94/96/178329496.db2.gz UDLKHBPDJKOOSK-VIFPVBQESA-N 1 0 260.790 2.188 10 0 CEAERO COc1ccc([C@H](O)[C@H]2CCC[NH2+]2)c(Br)c1 ZINC000082954641 178330130 /nfs/dbraw/zinc/33/01/30/178330130.db2.gz OOBSCOHNQZPDBV-NEPJUHHUSA-N 1 0 286.169 2.243 10 0 CEAERO [NH3+][C@@]1(CCOc2ccc(Br)cc2)CCOC1 ZINC000083187054 178351932 /nfs/dbraw/zinc/35/19/32/178351932.db2.gz BIEQWJULVDNBCN-GFCCVEGCSA-N 1 0 286.169 2.336 10 0 CEAERO Cc1ccc([S@](=O)CC2CC[NH2+]CC2)c(C)c1 ZINC000083309233 178380380 /nfs/dbraw/zinc/38/03/80/178380380.db2.gz JGQISLUJULWEML-KRWDZBQOSA-N 1 0 251.395 2.411 10 0 CEAERO CC[C@@H]1CN(CCc2cccc(F)c2)[C@H](C)C[NH2+]1 ZINC000083383543 178386638 /nfs/dbraw/zinc/38/66/38/178386638.db2.gz FSXTYRISCILVFS-IUODEOHRSA-N 1 0 250.361 2.441 10 0 CEAERO CC(C)CC[N@H+](C[C@](O)(CN)c1ccccc1)C1CC1 ZINC000096837354 185116518 /nfs/dbraw/zinc/11/65/18/185116518.db2.gz UVMIEVMNMGBOHH-QGZVFWFLSA-N 1 0 276.424 2.343 10 0 CEAERO COc1ccc([C@@H](CC[NH3+])C2CC2)cc1NC(C)=O ZINC000096890600 185124243 /nfs/dbraw/zinc/12/42/43/185124243.db2.gz NYDJNWNAZPFPMT-ZDUSSCGKSA-N 1 0 262.353 2.496 10 0 CEAERO C[C@H]([NH3+])C(=O)Nc1ccc(Br)cc1Cl ZINC000036963723 361874522 /nfs/dbraw/zinc/87/45/22/361874522.db2.gz FNBBJKGWAPKFNZ-YFKPBYRVSA-N 1 0 277.549 2.388 10 0 CEAERO C[C@H](NC(=O)C1([NH3+])CCCC1)c1ccc(F)cc1F ZINC000037616360 361911641 /nfs/dbraw/zinc/91/16/41/361911641.db2.gz ZKGIWGZLKSDXRG-VIFPVBQESA-N 1 0 268.307 2.414 10 0 CEAERO CC(C)(C)OC(=O)N1C[C@H]([NH3+])[C@H](C2CCCC2)C1 ZINC000096958575 185142370 /nfs/dbraw/zinc/14/23/70/185142370.db2.gz XGXJEKCLYUOWCN-RYUDHWBXSA-N 1 0 254.374 2.371 10 0 CEAERO C[N@@H+]1CCC[C@]2(C[C@H](O)c3ccc(F)cc3O2)C1 ZINC000097005834 185150557 /nfs/dbraw/zinc/15/05/57/185150557.db2.gz BKRRGMFRMYBNIL-JSGCOSHPSA-N 1 0 251.301 2.106 10 0 CEAERO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@@H](C)[C@@H]2CCCO2)c1 ZINC000037889803 361959689 /nfs/dbraw/zinc/95/96/89/361959689.db2.gz MHKQNVVGHLDRMS-XHSDSOJGSA-N 1 0 293.407 2.200 10 0 CEAERO CCN1CCO[C@@H](C[NH2+]Cc2ccsc2Cl)C1 ZINC000312557221 539029171 /nfs/dbraw/zinc/02/91/71/539029171.db2.gz MXHUPTVPNBPXIP-NSHDSACASA-N 1 0 274.817 2.212 10 0 CEAERO CC(C)(C)OC(=O)N1CC([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 ZINC000125728975 187197851 /nfs/dbraw/zinc/19/78/51/187197851.db2.gz YQQZQWVFHGPLFJ-XQQFMLRXSA-N 1 0 296.411 2.009 10 0 CEAERO Cc1c(C[NH2+]C[C@@H]2OCCc3ccccc32)cnn1C ZINC000229810537 539178915 /nfs/dbraw/zinc/17/89/15/539178915.db2.gz VLVWHDRMUWXNCI-INIZCTEOSA-N 1 0 271.364 2.132 10 0 CEAERO CC[C@H](NC(=O)C1CCC([NH3+])CC1)c1nccs1 ZINC000080269219 539172462 /nfs/dbraw/zinc/17/24/62/539172462.db2.gz IZHHCJSRSJNGKD-ILDUYXDCSA-N 1 0 267.398 2.228 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)Nc1cnc2c(cnn2C(C)C)c1 ZINC000040833463 362004269 /nfs/dbraw/zinc/00/42/69/362004269.db2.gz NQNADFVNOYBKNF-GFCCVEGCSA-N 1 0 275.356 2.078 10 0 CEAERO CC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000162443029 529513357 /nfs/dbraw/zinc/51/33/57/529513357.db2.gz UAZWJSFQEZFTHD-IUODEOHRSA-N 1 0 274.368 2.079 10 0 CEAERO CCNC(=O)NC[C@H]([NH3+])C1CCC(C(C)C)CC1 ZINC000725255175 539201012 /nfs/dbraw/zinc/20/10/12/539201012.db2.gz VFAQQXZAIHMSMY-BPCQOVAHSA-N 1 0 255.406 2.095 10 0 CEAERO CC(C)[C@H](C)NC(=O)N1CC[C@H]([NH3+])[C@@H](C(F)(F)F)CC1 ZINC000725262548 539210702 /nfs/dbraw/zinc/21/07/02/539210702.db2.gz FZSMMRCTBGRQKE-DCAQKATOSA-N 1 0 295.349 2.342 10 0 CEAERO CCCCNC(=O)N1CC[C@@H]([NH3+])[C@H](C(F)(F)F)CC1 ZINC000725262647 539211267 /nfs/dbraw/zinc/21/12/67/539211267.db2.gz JQKFAHLVPLPNRB-NXEZZACHSA-N 1 0 281.322 2.098 10 0 CEAERO CC(C)(C)NC(=O)N1CCC2(CCC[C@H]2[NH3+])CC1 ZINC000725263931 539212348 /nfs/dbraw/zinc/21/23/48/539212348.db2.gz CFVSYPIQUFOVCJ-LLVKDONJSA-N 1 0 253.390 2.088 10 0 CEAERO CC(C)[C@H](C)NC(=O)N[C@H]1CCCC12CC[NH2+]CC2 ZINC000725264122 539212460 /nfs/dbraw/zinc/21/24/60/539212460.db2.gz KEJSDJRQRSYSTE-STQMWFEESA-N 1 0 267.417 2.252 10 0 CEAERO C[C@H](c1cnn(CC2CCC2)c1)[N@@H+]1CCC[C@@H](CO)C1 ZINC000725264283 539212468 /nfs/dbraw/zinc/21/24/68/539212468.db2.gz GZHCVUONMPDRKC-UKRRQHHQSA-N 1 0 277.412 2.449 10 0 CEAERO CC(C)[C@@H](C)NC(=O)N[C@@H]1CCCC12CC[NH2+]CC2 ZINC000725264116 539212727 /nfs/dbraw/zinc/21/27/27/539212727.db2.gz KEJSDJRQRSYSTE-CHWSQXEVSA-N 1 0 267.417 2.252 10 0 CEAERO COCCC[NH2+]C[C@H](CCOC)c1ccccc1 ZINC000725266796 539213545 /nfs/dbraw/zinc/21/35/45/539213545.db2.gz DZCKFGDBGDOUSY-HNNXBMFYSA-N 1 0 251.370 2.433 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@@]23CCCc2ccccc23)C1 ZINC000175980250 282199411 /nfs/dbraw/zinc/19/94/11/282199411.db2.gz XHSIMQQVCMTRHS-HHXXYDBFSA-N 1 0 298.430 2.443 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H]2CC(C)(C)C[C@H]2C)C1 ZINC000300131094 539248755 /nfs/dbraw/zinc/24/87/55/539248755.db2.gz FCQDIFMXCLSPNO-MGPQQGTHSA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CC[C@@H]1CCOC1 ZINC000300420443 539250076 /nfs/dbraw/zinc/25/00/76/539250076.db2.gz JIIULZUPHIFAPE-OAGGEKHMSA-N 1 0 266.429 2.362 10 0 CEAERO Cc1ccc(CNC(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)cc1F ZINC000126114343 187218336 /nfs/dbraw/zinc/21/83/36/187218336.db2.gz QBXDMFQUEBKHIA-HZMBPMFUSA-N 1 0 264.344 2.138 10 0 CEAERO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CN(CC)CCO2)cc1 ZINC000223622180 539268546 /nfs/dbraw/zinc/26/85/46/539268546.db2.gz QRVSMPBXIDQRJP-PBHICJAKSA-N 1 0 292.423 2.457 10 0 CEAERO COc1c(C[NH2+][C@@H]2CCC(F)(F)C2)c(C)nn1C ZINC000310775208 539279952 /nfs/dbraw/zinc/27/99/52/539279952.db2.gz AKJIVYOCEZJWOB-SECBINFHSA-N 1 0 259.300 2.015 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@@H](C)c2cccc(OC)c2)C1 ZINC000135735424 539288975 /nfs/dbraw/zinc/28/89/75/539288975.db2.gz GGTOPGJIBPSWIO-XJKSGUPXSA-N 1 0 278.396 2.067 10 0 CEAERO Cc1nc(C)c(CN2C[C@H]3CCCC[N@H+]3C[C@@H]2C)o1 ZINC000311863338 539286763 /nfs/dbraw/zinc/28/67/63/539286763.db2.gz SHIORJJYCXYFSW-SMDDNHRTSA-N 1 0 263.385 2.350 10 0 CEAERO Oc1ccc2c(c1)O[C@@H](C[NH2+]Cc1ccccc1)CO2 ZINC000013775979 343367524 /nfs/dbraw/zinc/36/75/24/343367524.db2.gz DYWYWIOQKKRAST-AWEZNQCLSA-N 1 0 271.316 2.322 10 0 CEAERO C[C@@](CC[NH+]1CCCCC1)(C(N)=O)c1ccccc1 ZINC000002033118 343351772 /nfs/dbraw/zinc/35/17/72/343351772.db2.gz NOSZWUJZUTZABS-INIZCTEOSA-N 1 0 260.381 2.306 10 0 CEAERO COc1ccc([C@@H](O)C[NH3+])cc1OCc1ccccc1 ZINC000032120413 343411231 /nfs/dbraw/zinc/41/12/31/343411231.db2.gz JJBPZTLYONVMMO-AWEZNQCLSA-N 1 0 273.332 2.266 10 0 CEAERO CCCCO[C@@H]1C[C@H]([NH2+]C[C@H](C)N2CCOCC2)C1(C)C ZINC000245959716 539313528 /nfs/dbraw/zinc/31/35/28/539313528.db2.gz XYSXQTUSIXIPDD-HRCADAONSA-N 1 0 298.471 2.281 10 0 CEAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2cccc3c2OCCCO3)C1 ZINC000037164075 343426190 /nfs/dbraw/zinc/42/61/90/343426190.db2.gz FOVGOKPPPYJCKW-ZIAGYGMSSA-N 1 0 277.364 2.241 10 0 CEAERO O[C@H](C[NH2+]CCc1cccc(F)c1)COCc1ccco1 ZINC000037891815 343432531 /nfs/dbraw/zinc/43/25/31/343432531.db2.gz WOJOZOPMFUWXQA-OAHLLOKOSA-N 1 0 293.338 2.129 10 0 CEAERO COC1(OC)C[C@H]2C[N@H+](C)C[C@]21c1ccc(C)cc1 ZINC000040511451 343437886 /nfs/dbraw/zinc/43/78/86/343437886.db2.gz YJOWIGYADMADGH-GJZGRUSLSA-N 1 0 261.365 2.187 10 0 CEAERO COCCC1(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)CCCC1 ZINC000127364707 365742929 /nfs/dbraw/zinc/74/29/29/365742929.db2.gz SPRGUODNCDDQOP-GJZGRUSLSA-N 1 0 296.455 2.428 10 0 CEAERO C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC000004077111 539321554 /nfs/dbraw/zinc/32/15/54/539321554.db2.gz BVMKOCVADNIHAQ-LLVKDONJSA-N 1 0 257.341 2.241 10 0 CEAERO CCCCOC[C@@H](O)C[NH2+][C@H](C1CC1)C1CCC1 ZINC000325022482 312836743 /nfs/dbraw/zinc/83/67/43/312836743.db2.gz IZRMHIWPOVHMAM-GJZGRUSLSA-N 1 0 255.402 2.332 10 0 CEAERO C[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000054308858 343587480 /nfs/dbraw/zinc/58/74/80/343587480.db2.gz RDKZBSIEVNXPLC-KBPBESRZSA-N 1 0 260.381 2.296 10 0 CEAERO COC1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000053906959 343581333 /nfs/dbraw/zinc/58/13/33/343581333.db2.gz AZLIFMOFIHWPEH-UONOGXRCSA-N 1 0 290.407 2.363 10 0 CEAERO CC[C@@H](C[NH3+])NC(=O)c1cc(Cl)cc(Cl)c1 ZINC000083566000 178582259 /nfs/dbraw/zinc/58/22/59/178582259.db2.gz FFOCVEKBOLHOOO-JTQLQIEISA-N 1 0 261.152 2.461 10 0 CEAERO COc1ccc(F)cc1C[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000295078720 199334420 /nfs/dbraw/zinc/33/44/20/199334420.db2.gz RRVRHXGXSJULNG-GXFFZTMASA-N 1 0 253.317 2.180 10 0 CEAERO C[C@@H]1C[C@]2(CCC(=O)N2c2cccc(F)c2)CC[NH2+]1 ZINC000071603066 343801633 /nfs/dbraw/zinc/80/16/33/343801633.db2.gz HJUYUEUGWBGQKT-ABAIWWIYSA-N 1 0 262.328 2.463 10 0 CEAERO CCn1nccc1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000128187995 187356368 /nfs/dbraw/zinc/35/63/68/187356368.db2.gz YCJNOKCJBSUMMG-UHFFFAOYSA-N 1 0 259.357 2.006 10 0 CEAERO COc1ccc2c(c1)[C@]13CC[NH2+][C@H](C2)[C@@H]1[C@@H](C)CC(=O)C3 ZINC000078683807 343961328 /nfs/dbraw/zinc/96/13/28/343961328.db2.gz LQJCBPXZVSYWRL-HQKIHSOMSA-N 1 0 285.387 2.466 10 0 CEAERO CCCc1nnc(NC[C@@H]2CCC[N@H+](C)C2)s1 ZINC000091482854 344164683 /nfs/dbraw/zinc/16/46/83/344164683.db2.gz NDZWOCODGBQGQZ-JTQLQIEISA-N 1 0 254.403 2.244 10 0 CEAERO CCC[N@@H+]1CC[C@@H](c2ccccc2)[C@H](S(C)(=O)=O)C1 ZINC000095936338 344237899 /nfs/dbraw/zinc/23/78/99/344237899.db2.gz IIOIALXQCCSHAN-LSDHHAIUSA-N 1 0 281.421 2.299 10 0 CEAERO CC(C)(C)c1nc(C(F)F)cc(N2CC[NH2+]CC2)n1 ZINC000117034618 344287900 /nfs/dbraw/zinc/28/79/00/344287900.db2.gz LFMXFLATDVKFQB-UHFFFAOYSA-N 1 0 270.327 2.121 10 0 CEAERO CCCc1nc2c(c3ccccc3nc2N)n1CCC[NH3+] ZINC000117624947 344289953 /nfs/dbraw/zinc/28/99/53/344289953.db2.gz PNTGFPXNSMXKLX-UHFFFAOYSA-N 1 0 283.379 2.468 10 0 CEAERO CCCC[C@H](C[NH3+])Nc1ccc(C(=O)OC)c(C)n1 ZINC000124451409 344313921 /nfs/dbraw/zinc/31/39/21/344313921.db2.gz DAUNDEOQDNXONR-LLVKDONJSA-N 1 0 265.357 2.106 10 0 CEAERO COC(=O)c1csc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000602472190 347046924 /nfs/dbraw/zinc/04/69/24/347046924.db2.gz OXUXDXZEYHBUKM-DGCLKSJQSA-N 1 0 294.420 2.203 10 0 CEAERO CC(C)(C(=O)Nc1ccc(Cl)c(F)c1)N1CC[NH2+]CC1 ZINC000129629603 344345659 /nfs/dbraw/zinc/34/56/59/344345659.db2.gz OMVPLXIGVLYIQT-UHFFFAOYSA-N 1 0 299.777 2.101 10 0 CEAERO [NH2+]=C1NC[C@H](c2nccs2)N1Cc1ccccc1 ZINC000132177640 344361952 /nfs/dbraw/zinc/36/19/52/344361952.db2.gz MYTPQBQJLYBYLI-LLVKDONJSA-N 1 0 258.350 2.015 10 0 CEAERO COC(=O)c1cccc(NC(=O)C[C@H]([NH3+])C(C)C)c1C ZINC000136344194 344384567 /nfs/dbraw/zinc/38/45/67/344384567.db2.gz GAANKDJHLGARJJ-LBPRGKRZSA-N 1 0 278.352 2.094 10 0 CEAERO C[C@H]([NH3+])[C@@H](O)c1ccc(Cl)c(Br)c1 ZINC000137197747 344387502 /nfs/dbraw/zinc/38/75/02/344387502.db2.gz CYCYAVBXLCJGEI-SSDLBLMSSA-N 1 0 264.550 2.483 10 0 CEAERO [NH3+]C[C@H]1CN(c2ccccc2)CCN1Cc1ccccc1 ZINC000139007102 344392017 /nfs/dbraw/zinc/39/20/17/344392017.db2.gz VSYZSVPGABQAMN-SFHVURJKSA-N 1 0 281.403 2.336 10 0 CEAERO O[C@]1(c2ccc(Br)cc2)C[NH+]2CCC1CC2 ZINC000140214519 344397157 /nfs/dbraw/zinc/39/71/57/344397157.db2.gz RMLARMRXQRUGCT-ZDUSSCGKSA-N 1 0 282.181 2.362 10 0 CEAERO [NH3+]C[C@H](O)c1ccc(OCc2ccccc2)c(F)c1 ZINC000142984365 344404756 /nfs/dbraw/zinc/40/47/56/344404756.db2.gz GIPHVNWPLDFVCV-AWEZNQCLSA-N 1 0 261.296 2.397 10 0 CEAERO COc1ccc(Cn2nc(C(N)=[NH2+])cc2C2CC2)cc1 ZINC000148002396 344413148 /nfs/dbraw/zinc/41/31/48/344413148.db2.gz VXSIHRUGOPIKOA-UHFFFAOYSA-N 1 0 270.336 2.101 10 0 CEAERO CC(C)[C@@H]1CN(c2ccc3cccnc3n2)CC[NH2+]1 ZINC000149379271 344414757 /nfs/dbraw/zinc/41/47/57/344414757.db2.gz UJAGXVVDBSPRNB-ZDUSSCGKSA-N 1 0 256.353 2.064 10 0 CEAERO O[C@@H]1CC[NH2+]C[C@H]1Cc1cc(Br)cs1 ZINC000168241051 344479862 /nfs/dbraw/zinc/47/98/62/344479862.db2.gz BQHNASNPSKPEOY-GMSGAONNSA-N 1 0 276.199 2.024 10 0 CEAERO CC(C)Oc1ccccc1CC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170864005 344491681 /nfs/dbraw/zinc/49/16/81/344491681.db2.gz MWPGNHHAFNCQSN-HNNXBMFYSA-N 1 0 290.407 2.179 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC=C(C)C ZINC000190693255 344513397 /nfs/dbraw/zinc/51/33/97/344513397.db2.gz LTXDGZNLZOLXRP-UONOGXRCSA-N 1 0 265.401 2.221 10 0 CEAERO Cc1[nH]c(-c2ccccc2NC[C@H]2CC[NH2+]C2)cc1C(N)=O ZINC000220786716 344538580 /nfs/dbraw/zinc/53/85/80/344538580.db2.gz XLLAOWCMJLADCY-LBPRGKRZSA-N 1 0 298.390 2.110 10 0 CEAERO CC[N@@H+]1CCC[C@@](O)(C(F)(F)Br)CC1 ZINC000225653297 344546791 /nfs/dbraw/zinc/54/67/91/344546791.db2.gz CJNQGCQSESYEAB-QMMMGPOBSA-N 1 0 272.133 2.211 10 0 CEAERO CN(C(=O)c1c(F)cccc1F)[C@@H]1CCC[NH2+]CC1 ZINC000226457894 344550240 /nfs/dbraw/zinc/55/02/40/344550240.db2.gz QVLJAOHKBHJJBG-SNVBAGLBSA-N 1 0 268.307 2.179 10 0 CEAERO Cc1ccc(CC(=O)N(C)[C@@H]2CCC[NH2+]CC2)cc1C ZINC000231473407 344575189 /nfs/dbraw/zinc/57/51/89/344575189.db2.gz CQNDZFFESWKUCS-MRXNPFEDSA-N 1 0 274.408 2.446 10 0 CEAERO Cc1cc(C)cc(OCC[N@@H+]2CC[C@H](CCO)C2)c1 ZINC000227573050 344554698 /nfs/dbraw/zinc/55/46/98/344554698.db2.gz HJXJFWTVWSFUDO-OAHLLOKOSA-N 1 0 263.381 2.387 10 0 CEAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000227907791 344557537 /nfs/dbraw/zinc/55/75/37/344557537.db2.gz COTDOTWJCBPZOE-ZNMIVQPWSA-N 1 0 255.402 2.429 10 0 CEAERO CN1CC[C@@H](C[NH3+])[C@@H]1c1sccc1Br ZINC000228020547 344558207 /nfs/dbraw/zinc/55/82/07/344558207.db2.gz NBMKBZCHEUOFEM-IONNQARKSA-N 1 0 275.215 2.462 10 0 CEAERO CCS(=O)(=O)c1ccc(N[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000228268695 344559928 /nfs/dbraw/zinc/55/99/28/344559928.db2.gz IOJXJMCKGPLTBB-QWRGUYRKSA-N 1 0 270.398 2.018 10 0 CEAERO C[C@H]1CN(C(=O)c2ccccc2C(C)(C)C)C[C@@H]1[NH3+] ZINC000235666104 344592011 /nfs/dbraw/zinc/59/20/11/344592011.db2.gz ZGIKUZXEWZQULK-FZMZJTMJSA-N 1 0 260.381 2.403 10 0 CEAERO [NH3+][C@H]1CCOC[C@H]1Cc1cc(Br)cs1 ZINC000236326536 344595417 /nfs/dbraw/zinc/59/54/17/344595417.db2.gz MHYARFYXAKFSCC-XCBNKYQSSA-N 1 0 276.199 2.417 10 0 CEAERO Brc1csc(CO[C@H]2CC[NH2+]C2)c1 ZINC000051782795 362438257 /nfs/dbraw/zinc/43/82/57/362438257.db2.gz ZMDITXXDVNXHKG-QMMMGPOBSA-N 1 0 262.172 2.389 10 0 CEAERO C[NH2+][C@](C)(CO)c1ccc(F)cc1Br ZINC000234494387 344585160 /nfs/dbraw/zinc/58/51/60/344585160.db2.gz LXWUTYSWSJTGHB-SNVBAGLBSA-N 1 0 262.122 2.015 10 0 CEAERO CSC[C@H](C)[NH2+][C@@H](C)CNC(=O)OC(C)(C)C ZINC000235063436 344588813 /nfs/dbraw/zinc/58/88/13/344588813.db2.gz JYFLYNFNZXMWBF-UWVGGRQHSA-N 1 0 262.419 2.241 10 0 CEAERO c1ccc2nc(OCC[C@@H]3CCC[NH2+]C3)cnc2c1 ZINC000052018326 362460693 /nfs/dbraw/zinc/46/06/93/362460693.db2.gz OONCKFPMWIFCAX-LBPRGKRZSA-N 1 0 257.337 2.398 10 0 CEAERO C[C@H]1Cc2cc(I)ccc2C[NH2+]1 ZINC000238481956 344606751 /nfs/dbraw/zinc/60/67/51/344606751.db2.gz QWRZONKYFUZKAH-ZETCQYMHSA-N 1 0 273.117 2.325 10 0 CEAERO [NH3+]Cc1ccc(N2C(=O)c3ccccc3C2=O)cc1F ZINC000307034742 344719631 /nfs/dbraw/zinc/71/96/31/344719631.db2.gz UELJRAGSWHRSSC-UHFFFAOYSA-N 1 0 270.263 2.085 10 0 CEAERO C[C@](O)(C[NH3+])c1c(Cl)cccc1Br ZINC000307268034 344721456 /nfs/dbraw/zinc/72/14/56/344721456.db2.gz JYPWNCDOTLKRJV-VIFPVBQESA-N 1 0 264.550 2.269 10 0 CEAERO C[C@H]([NH3+])[C@H](C)Nc1ccccc1I ZINC000307437606 344722908 /nfs/dbraw/zinc/72/29/08/344722908.db2.gz UVFIXGZDAPFZSY-YUMQZZPRSA-N 1 0 290.148 2.439 10 0 CEAERO C[C@H]1CN(Cc2cscc2Br)C[C@H]1[NH3+] ZINC000307634720 344724065 /nfs/dbraw/zinc/72/40/65/344724065.db2.gz QCOWHOQBYDHIIK-OIBJUYFYSA-N 1 0 275.215 2.290 10 0 CEAERO [NH3+]C[C@]1(CO)C[C@H]1c1cc(Cl)sc1Cl ZINC000306239863 344712612 /nfs/dbraw/zinc/71/26/12/344712612.db2.gz QNLYCMJKIIOMMY-RCOVLWMOSA-N 1 0 252.166 2.480 10 0 CEAERO C[C@@H]1C[NH2+][C@]2(CCN(C(=O)OC(C)(C)C)C2)S1 ZINC000306586127 344715103 /nfs/dbraw/zinc/71/51/03/344715103.db2.gz RDBUOXUHBWPXHS-BXKDBHETSA-N 1 0 258.387 2.048 10 0 CEAERO COc1cc(Br)c2c(c1)C[C@H](C)[NH2+]C2 ZINC000306669448 344716210 /nfs/dbraw/zinc/71/62/10/344716210.db2.gz LBOVDFMWALZKOE-ZETCQYMHSA-N 1 0 256.143 2.492 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1OCc1coc(Br)c1 ZINC000306676512 344716281 /nfs/dbraw/zinc/71/62/81/344716281.db2.gz WHBFVPBSFYJYLN-IUCAKERBSA-N 1 0 260.131 2.439 10 0 CEAERO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC1=[NH+]CCS1 ZINC000306889057 344718245 /nfs/dbraw/zinc/71/82/45/344718245.db2.gz WXBWTYZZQOVURU-GXTWGEPZSA-N 1 0 275.421 2.199 10 0 CEAERO C[C@@H](CC[NH3+])CCC(=O)NCc1ccc(F)cc1F ZINC000083709161 178721823 /nfs/dbraw/zinc/72/18/23/178721823.db2.gz MOWWLWPKWXAIIF-SNVBAGLBSA-N 1 0 270.323 2.346 10 0 CEAERO COc1ccc(Br)c(C[C@@]2([NH3+])CCOC2)c1 ZINC000083710167 178722016 /nfs/dbraw/zinc/72/20/16/178722016.db2.gz ARGFKYZBQHTKBY-LBPRGKRZSA-N 1 0 286.169 2.118 10 0 CEAERO C[C@@H](O)[C@@](C)(C[NH3+])Cc1cc(Br)cs1 ZINC000083777611 178745993 /nfs/dbraw/zinc/74/59/93/178745993.db2.gz QCUJWBRXOZZELD-GMSGAONNSA-N 1 0 278.215 2.399 10 0 CEAERO C[C@@H](O)[C@](C)(C[NH3+])Cc1cc(Br)ccc1F ZINC000083777473 178746018 /nfs/dbraw/zinc/74/60/18/178746018.db2.gz HAXPXICRTMSQAF-PELKAZGASA-N 1 0 290.176 2.477 10 0 CEAERO Cc1cccc(CCC(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000383646807 344827278 /nfs/dbraw/zinc/82/72/78/344827278.db2.gz NAGXGKXUBIMILB-RHSMWYFYSA-N 1 0 274.408 2.371 10 0 CEAERO CCCC1CCC([NH2+][C@H]2CCCN(CCO)C2)CC1 ZINC000384796900 344828957 /nfs/dbraw/zinc/82/89/57/344828957.db2.gz XTPZKKSPIVHQTF-GPANFISMSA-N 1 0 268.445 2.392 10 0 CEAERO CC1(C)CCC([NH2+][C@H]2CCCN(CCO)C2)CC1 ZINC000384654642 344829073 /nfs/dbraw/zinc/82/90/73/344829073.db2.gz ZELYCRHQLSDDQZ-AWEZNQCLSA-N 1 0 254.418 2.002 10 0 CEAERO C[C@@H]([NH2+]C[C@H](O)c1ccc2ccccc2c1)[C@H](C)O ZINC000386851909 344832464 /nfs/dbraw/zinc/83/24/64/344832464.db2.gz CZLDEKXATTUFML-WQGACYEGSA-N 1 0 259.349 2.232 10 0 CEAERO C[C@@H](CCc1ccccc1)[NH2+]C1CCN(CCO)CC1 ZINC000399019566 344856290 /nfs/dbraw/zinc/85/62/90/344856290.db2.gz GXAHIJZZRLBHPC-HNNXBMFYSA-N 1 0 276.424 2.054 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)NC[C@H]1CC2CCC1CC2 ZINC000400134145 344860639 /nfs/dbraw/zinc/86/06/39/344860639.db2.gz WLDASAJTVRHNPV-HXSCFSKGSA-N 1 0 264.413 2.319 10 0 CEAERO Cc1c(Br)cccc1[C@H](O)[C@H](C)C[NH3+] ZINC000083891228 178759801 /nfs/dbraw/zinc/75/98/01/178759801.db2.gz HRMYEANPXBACTH-RDDDGLTNSA-N 1 0 258.159 2.386 10 0 CEAERO COC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403062683 344874286 /nfs/dbraw/zinc/87/42/86/344874286.db2.gz CRAWWRKAMWMTRM-SYQHCUMBSA-N 1 0 251.370 2.308 10 0 CEAERO [NH3+][C@H]1CCOC[C@H]1[S@](=O)c1cc(Cl)ccc1Cl ZINC000084000601 178769437 /nfs/dbraw/zinc/76/94/37/178769437.db2.gz YRWNZBNMVVQVNK-JHXNIKBNSA-N 1 0 294.203 2.217 10 0 CEAERO COCC[S@](=O)C[C@H]([NH3+])c1ccc(C(C)(C)C)cc1 ZINC000084035953 178775253 /nfs/dbraw/zinc/77/52/53/178775253.db2.gz LIHQFHQJMVKJIY-IFXJQAMLSA-N 1 0 283.437 2.379 10 0 CEAERO O[C@H](C[NH2+]C1CCCC1)[C@@H]1CCc2ccccc2O1 ZINC000584626505 344968313 /nfs/dbraw/zinc/96/83/13/344968313.db2.gz OUWPAYZEXUXLSD-ZBFHGGJFSA-N 1 0 261.365 2.273 10 0 CEAERO COc1cccc([C@H]2C[N@H+](Cc3ccccc3)C[C@H]2CO)n1 ZINC000584633715 344970691 /nfs/dbraw/zinc/97/06/91/344970691.db2.gz JCIYXQUNIYISDV-HOTGVXAUSA-N 1 0 298.386 2.298 10 0 CEAERO O=C1CC2(CCCC2)CC(=O)N1CC[NH+]1CCCCC1 ZINC000584640446 344971964 /nfs/dbraw/zinc/97/19/64/344971964.db2.gz IVCJFMARHKRRIJ-UHFFFAOYSA-N 1 0 278.396 2.182 10 0 CEAERO CCC[NH2+]C[C@@H]1CCCCN1[C@@H](CC)C(=O)OCC ZINC000084107102 178794069 /nfs/dbraw/zinc/79/40/69/178794069.db2.gz JZJAQZOSKLZCCA-KBPBESRZSA-N 1 0 270.417 2.182 10 0 CEAERO C[NH2+]CCc1nnc(-c2ccc(Br)cn2)s1 ZINC000084120736 178797008 /nfs/dbraw/zinc/79/70/08/178797008.db2.gz OQGUGQICVVQEQM-UHFFFAOYSA-N 1 0 299.197 2.125 10 0 CEAERO Nc1c[nH+]c2ccc(OCC(F)(F)F)cc2c1N ZINC000584882268 344996009 /nfs/dbraw/zinc/99/60/09/344996009.db2.gz YITBLFPWPMLRNT-UHFFFAOYSA-N 1 0 257.215 2.171 10 0 CEAERO CCO[C@@H](C)c1noc(CC2([NH3+])CCCCC2)n1 ZINC000084145161 178802019 /nfs/dbraw/zinc/80/20/19/178802019.db2.gz SLCWVRCHDIAEIM-JTQLQIEISA-N 1 0 253.346 2.371 10 0 CEAERO CCO[C@H](C)c1noc(CC2([NH3+])CCCCC2)n1 ZINC000084145164 178802178 /nfs/dbraw/zinc/80/21/78/178802178.db2.gz SLCWVRCHDIAEIM-SNVBAGLBSA-N 1 0 253.346 2.371 10 0 CEAERO CCc1cc2c(ncnc2N2CCC[C@@H]2C[NH2+]C)s1 ZINC000053703886 362497924 /nfs/dbraw/zinc/49/79/24/362497924.db2.gz BDMCCULEAZKTLU-SNVBAGLBSA-N 1 0 276.409 2.442 10 0 CEAERO [NH3+]CCc1cn(-c2ccc(-c3ccccc3)cc2)nn1 ZINC000084163938 178810716 /nfs/dbraw/zinc/81/07/16/178810716.db2.gz WWOSPYKBYWPVPC-UHFFFAOYSA-N 1 0 264.332 2.436 10 0 CEAERO C[NH2+][C@H](C)C(=O)NCc1ccc2cc(OC)ccc2c1 ZINC000054076332 362510451 /nfs/dbraw/zinc/51/04/51/362510451.db2.gz NRWKYNBIFSIALE-LLVKDONJSA-N 1 0 272.348 2.073 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)N[C@H]1CCc2ccccc2C1 ZINC000054292812 362523280 /nfs/dbraw/zinc/52/32/80/362523280.db2.gz LCNDKAHQIFRHOS-BBRMVZONSA-N 1 0 272.392 2.050 10 0 CEAERO c1csc(Cc2noc(C[C@@H]3CCC[NH2+]C3)n2)c1 ZINC000054301665 362524531 /nfs/dbraw/zinc/52/45/31/362524531.db2.gz DLOHYDRPCZEVCA-JTQLQIEISA-N 1 0 263.366 2.264 10 0 CEAERO O=C(C[C@H]1CCC[NH2+]C1)NCc1ccc(Cl)cc1 ZINC000054305810 362525269 /nfs/dbraw/zinc/52/52/69/362525269.db2.gz NZDFXJPJSYQCSV-GFCCVEGCSA-N 1 0 266.772 2.346 10 0 CEAERO Cc1ccc(NC(=O)C[C@@H]2CCC[NH2+]C2)c(C)c1O ZINC000054307299 362525595 /nfs/dbraw/zinc/52/55/95/362525595.db2.gz UKEUICRTLVZATN-LBPRGKRZSA-N 1 0 262.353 2.337 10 0 CEAERO [NH3+]Cc1cc(CS(=O)(=O)c2cccc(Cl)c2)ccn1 ZINC000084271892 178838333 /nfs/dbraw/zinc/83/83/33/178838333.db2.gz RDQGDVQRJGDFOH-UHFFFAOYSA-N 1 0 296.779 2.168 10 0 CEAERO COc1cccc(S(=O)(=O)[C@H]2CCCCC[C@@H]2C[NH3+])c1 ZINC000084268780 178835774 /nfs/dbraw/zinc/83/57/74/178835774.db2.gz JNYCARLJGOPGTP-DOMZBBRYSA-N 1 0 297.420 2.377 10 0 CEAERO Cc1nnc(-c2ccccc2NC(=O)[C@H]2CC[C@@H]([NH3+])C2)o1 ZINC000097093676 185528747 /nfs/dbraw/zinc/52/87/47/185528747.db2.gz TWDMSPBMYZBQKO-WDEREUQCSA-N 1 0 286.335 2.111 10 0 CEAERO [NH3+]C[C@@H]1CCCN1C(=O)CSCc1ccc(F)cc1 ZINC000592304080 345342464 /nfs/dbraw/zinc/34/24/64/345342464.db2.gz YQIQGRGNSCOZGP-ZDUSSCGKSA-N 1 0 282.384 2.009 10 0 CEAERO C[NH2+][C@](C)(C[C@H](C)Sc1ccccc1F)C(N)=O ZINC000084346288 178860107 /nfs/dbraw/zinc/86/01/07/178860107.db2.gz HICKLNJYFBKPOC-TVQRCGJNSA-N 1 0 270.373 2.160 10 0 CEAERO CCc1nn(C)c(C[C@H]([NH3+])C2CC2)c1Br ZINC000084295791 178848697 /nfs/dbraw/zinc/84/86/97/178848697.db2.gz JFJUDXVUINOUFT-QMMMGPOBSA-N 1 0 272.190 2.025 10 0 CEAERO CCC[NH2+][C@](C)(C[C@H](C)Sc1ccccn1)C(N)=O ZINC000084347795 178861187 /nfs/dbraw/zinc/86/11/87/178861187.db2.gz QMLAGIYHYLMRCS-SMDDNHRTSA-N 1 0 281.425 2.196 10 0 CEAERO CC[NH+](CC)[C@@H]1CCN(c2c(N)c(C)nn2C(C)C)C1 ZINC000097145705 185548548 /nfs/dbraw/zinc/54/85/48/185548548.db2.gz PWWPFWCGMCDTKI-CYBMUJFWSA-N 1 0 279.432 2.275 10 0 CEAERO Cc1oc(C)c(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)c1C ZINC000229583725 539471958 /nfs/dbraw/zinc/47/19/58/539471958.db2.gz CQHGIKNEYFFFSO-BXKDBHETSA-N 1 0 250.342 2.075 10 0 CEAERO CCC[NH2+][C@@H]1CC[C@H](S(=O)(=O)c2cccs2)C1 ZINC000084433313 178887508 /nfs/dbraw/zinc/88/75/08/178887508.db2.gz GQFXBBLWBREXAS-MNOVXSKESA-N 1 0 273.423 2.443 10 0 CEAERO CC[NH2+][C@@H]1CCC[C@H](S(=O)(=O)c2cccs2)C1 ZINC000084430026 178885925 /nfs/dbraw/zinc/88/59/25/178885925.db2.gz KPQKFDYIQIQNSG-MNOVXSKESA-N 1 0 273.423 2.443 10 0 CEAERO COc1ccc([C@@](O)(C[NH3+])c2ccccc2)cc1F ZINC000084624257 178905169 /nfs/dbraw/zinc/90/51/69/178905169.db2.gz LDQDHOLTEWWCME-OAHLLOKOSA-N 1 0 261.296 2.029 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH3+])[C@H]1CSc2ccccc21 ZINC000097217843 185566485 /nfs/dbraw/zinc/56/64/85/185566485.db2.gz YHYGBLNDNNLYLA-QWHCGFSZSA-N 1 0 299.461 2.418 10 0 CEAERO CN(CC[N@H+](C)CCO)Cc1ccc(C(F)(F)F)cc1 ZINC000623091686 349936211 /nfs/dbraw/zinc/93/62/11/349936211.db2.gz NYXDQTLFCZRPLG-UHFFFAOYSA-N 1 0 290.329 2.061 10 0 CEAERO CC[NH2+][C@@H](Cc1c(Cl)c(C)nn1C)c1snnc1C ZINC000097273838 185575472 /nfs/dbraw/zinc/57/54/72/185575472.db2.gz ORROEVAYPPNFNT-VIFPVBQESA-N 1 0 299.831 2.435 10 0 CEAERO CCCn1ncnc1C[C@@H]([NH3+])[C@H]1CSc2ccccc21 ZINC000097282011 185579303 /nfs/dbraw/zinc/57/93/03/185579303.db2.gz RVFSXSBWGLDDFM-QWHCGFSZSA-N 1 0 288.420 2.447 10 0 CEAERO CC[NH2+][C@@H](CC[C@@H](C)OC)Cc1cc(CC)nn1C ZINC000097276865 185577165 /nfs/dbraw/zinc/57/71/65/185577165.db2.gz XMOCORNSOSLUQW-OCCSQVGLSA-N 1 0 267.417 2.318 10 0 CEAERO Cc1nn(C)c(C)c1C[C@@H]([NH3+])[C@H]1CCOC2(CCC2)C1 ZINC000097306872 185581881 /nfs/dbraw/zinc/58/18/81/185581881.db2.gz BIGXYBGQXOBPSO-DZGCQCFKSA-N 1 0 277.412 2.256 10 0 CEAERO [NH3+][C@H](CCc1cccnc1)[C@@H]1CCOC2(CCOCC2)C1 ZINC000097311026 185583209 /nfs/dbraw/zinc/58/32/09/185583209.db2.gz LJSKTLIPWMWJDW-HZPDHXFCSA-N 1 0 290.407 2.317 10 0 CEAERO CC(C)C[NH2+]Cc1nnnn1C1C[C@H](C)C[C@@H](C)C1 ZINC000084978106 178937461 /nfs/dbraw/zinc/93/74/61/178937461.db2.gz ZRXAKLGAPUNGAM-VXGBXAGGSA-N 1 0 265.405 2.416 10 0 CEAERO C[C@H]1CC(NC(=O)C2(C)CC[NH2+]CC2)C[C@H](C)C1 ZINC000084977778 178937729 /nfs/dbraw/zinc/93/77/29/178937729.db2.gz QPIHZSGYQRZCEN-VXGBXAGGSA-N 1 0 252.402 2.317 10 0 CEAERO Cc1nn(C)c(C)c1C[C@H]([NH3+])Cc1ccc(F)c(F)c1 ZINC000097382654 185595183 /nfs/dbraw/zinc/59/51/83/185595183.db2.gz TZTWFNZJCLVUEF-GFCCVEGCSA-N 1 0 279.334 2.428 10 0 CEAERO C[C@@](O)(CC[NH3+])Cc1ccc(F)cc1Br ZINC000084996856 178941420 /nfs/dbraw/zinc/94/14/20/178941420.db2.gz SDITYMGZSDVUGN-LLVKDONJSA-N 1 0 276.149 2.231 10 0 CEAERO CC[C@H]([NH3+])[C@H](CC(=O)OC)c1ccc(OC)cc1OC ZINC000097432102 185602653 /nfs/dbraw/zinc/60/26/53/185602653.db2.gz QUFCWVCZIRXDTE-OLZOCXBDSA-N 1 0 281.352 2.088 10 0 CEAERO COC(=O)C[C@](C)(c1cc(OC)ccc1OC)C(C)(C)[NH3+] ZINC000097433647 185603059 /nfs/dbraw/zinc/60/30/59/185603059.db2.gz VGCKAIHUBVUXTQ-MRXNPFEDSA-N 1 0 295.379 2.262 10 0 CEAERO CCCOc1cccc([C@@H](C[NH3+])CC(=O)OC)c1 ZINC000097430451 185601214 /nfs/dbraw/zinc/60/12/14/185601214.db2.gz UDTRHNHTGYGTRJ-GFCCVEGCSA-N 1 0 251.326 2.081 10 0 CEAERO COC(=O)C[C@](C)(Cc1ccc(OC)c(OC)c1)[C@@H](C)[NH3+] ZINC000097431345 185601970 /nfs/dbraw/zinc/60/19/70/185601970.db2.gz JKGZDPROYQBDCC-BZNIZROVSA-N 1 0 295.379 2.163 10 0 CEAERO C[C@H](CC[NH3+])CNC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000097441043 185604880 /nfs/dbraw/zinc/60/48/80/185604880.db2.gz ZDPZESJLWWKQOO-UWJCENJNSA-N 1 0 279.428 2.239 10 0 CEAERO COc1cccc([C@H](SC[C@H](C)CO)[C@@H](C)[NH3+])c1 ZINC000097458833 185609743 /nfs/dbraw/zinc/60/97/43/185609743.db2.gz RFBRPYKOUZLXOG-JTNHKYCSSA-N 1 0 269.410 2.445 10 0 CEAERO C[NH2+][C@H](Cc1ccc(F)cc1C)C[C@H]1CCS(=O)(=O)C1 ZINC000097453802 185610192 /nfs/dbraw/zinc/61/01/92/185610192.db2.gz PVMLXLXOKARDCH-DOMZBBRYSA-N 1 0 299.411 2.089 10 0 CEAERO COC[C@@H](C)C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000176539898 232330583 /nfs/dbraw/zinc/33/05/83/232330583.db2.gz KFLXFNBZVLHFFX-CQSZACIVSA-N 1 0 284.444 2.143 10 0 CEAERO C[NH2+]C[C@@H]1CCCN1Cc1ccn(C2CCCC2)n1 ZINC000085179845 178963402 /nfs/dbraw/zinc/96/34/02/178963402.db2.gz CGMPDDOCMQYQPY-HNNXBMFYSA-N 1 0 262.401 2.182 10 0 CEAERO CCN(C[C@@](CO)([NH2+]C)C1CC1)c1cccc(F)c1 ZINC000085242013 178983949 /nfs/dbraw/zinc/98/39/49/178983949.db2.gz USMXMSSGCIYRLB-HNNXBMFYSA-N 1 0 266.360 2.013 10 0 CEAERO CCC[NH2+][C@](C)(CO)CN(C)c1ccc(C)cc1C ZINC000085215105 178979413 /nfs/dbraw/zinc/97/94/13/178979413.db2.gz UBMSKCIALZQYGV-INIZCTEOSA-N 1 0 264.413 2.490 10 0 CEAERO CC[NH2+][C@](C)(CO)CN(CC)c1ccccc1C ZINC000085216057 178979562 /nfs/dbraw/zinc/97/95/62/178979562.db2.gz SIPWSZFOCLHFFR-HNNXBMFYSA-N 1 0 250.386 2.182 10 0 CEAERO CC[NH+](CC)C(C)(C)[C@@H](Cc1cccc(C)c1)NN ZINC000097580748 185630072 /nfs/dbraw/zinc/63/00/72/185630072.db2.gz XZVKCGSFBHJZBZ-OAHLLOKOSA-N 1 0 263.429 2.490 10 0 CEAERO COCC[C@@H](C)[C@H](NN)C1([NH+](C)C)CCCCCC1 ZINC000097591112 185634325 /nfs/dbraw/zinc/63/43/25/185634325.db2.gz DKZRFQGZAVSCQU-KGLIPLIRSA-N 1 0 271.449 2.146 10 0 CEAERO CCCCOc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC000312517745 201910767 /nfs/dbraw/zinc/91/07/67/201910767.db2.gz SXINBMREBFRDIX-IUODEOHRSA-N 1 0 276.380 2.427 10 0 CEAERO Cc1cncc([C@@H](NN)C2([NH+](C)C)CCCCC2)c1 ZINC000097589193 185633833 /nfs/dbraw/zinc/63/38/33/185633833.db2.gz YKVUVUOCASGCRK-CQSZACIVSA-N 1 0 262.401 2.159 10 0 CEAERO CCC[NH2+][C@@](C)(CO)CCCCOCC(F)(F)F ZINC000085282775 179000060 /nfs/dbraw/zinc/00/00/60/179000060.db2.gz SYPSDIIXLBKTAC-LLVKDONJSA-N 1 0 271.323 2.486 10 0 CEAERO C[NH2+][C@@](C)(CO)C[C@H](C)Oc1ccc2c(c1)CCC2 ZINC000085282524 179000226 /nfs/dbraw/zinc/00/02/26/179000226.db2.gz XWRSODZENVHHCA-BLLLJJGKSA-N 1 0 263.381 2.303 10 0 CEAERO CC[NH2+][C@@](CO)(COc1ccc(F)cc1F)C1CC1 ZINC000085283000 179000649 /nfs/dbraw/zinc/00/06/49/179000649.db2.gz JMUBQWKFBQVFGX-AWEZNQCLSA-N 1 0 271.307 2.094 10 0 CEAERO C[NH2+][C@](C)(CO)COc1ccccc1C(C)(C)C ZINC000085283268 179000731 /nfs/dbraw/zinc/00/07/31/179000731.db2.gz ZNZSKSLOJXJUQW-OAHLLOKOSA-N 1 0 251.370 2.333 10 0 CEAERO C[NH2+][C@@](C)(CO)CCCOc1c(C)cccc1C ZINC000085283221 179000755 /nfs/dbraw/zinc/00/07/55/179000755.db2.gz KYVZJFJLLYFLMD-OAHLLOKOSA-N 1 0 251.370 2.433 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)C[C@H](C)OCC(F)(F)F ZINC000085282805 179000994 /nfs/dbraw/zinc/00/09/94/179000994.db2.gz HGNYAOIZTFOEDJ-VHSXEESVSA-N 1 0 257.296 2.093 10 0 CEAERO CC[NH2+][C@@](C)(CO)C[C@@H](C)Oc1ccccc1F ZINC000085284410 179002233 /nfs/dbraw/zinc/00/22/33/179002233.db2.gz UNLXEBVTXYNOIG-BXUZGUMPSA-N 1 0 255.333 2.344 10 0 CEAERO CC[NH2+][C@@](C)(CO)C[C@H](C)n1nc(C)c(C)c1C ZINC000085264013 178993888 /nfs/dbraw/zinc/99/38/88/178993888.db2.gz DSCFINWVUMBFIJ-IINYFYTJSA-N 1 0 253.390 2.120 10 0 CEAERO CCC[NH2+][C@](C)(CO)CCCn1nc(C)c(C)c1C ZINC000085264067 178993949 /nfs/dbraw/zinc/99/39/49/178993949.db2.gz SFZSDXKMHRIFSA-HNNXBMFYSA-N 1 0 267.417 2.339 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)CCCCOCCOC(C)C ZINC000085270298 178998616 /nfs/dbraw/zinc/99/86/16/178998616.db2.gz SGYDBHOFRDEJGB-HNNXBMFYSA-N 1 0 275.433 2.347 10 0 CEAERO C[NH2+][C@@](CO)(COc1cc(C)cc(C)c1C)C1CC1 ZINC000085286055 179003235 /nfs/dbraw/zinc/00/32/35/179003235.db2.gz RNNMIUFMEVGCKQ-INIZCTEOSA-N 1 0 263.381 2.351 10 0 CEAERO CC[C@H]1CCC[C@H](OC[C@@](C)(CO)[NH2+]C2CC2)C1 ZINC000085287339 179004468 /nfs/dbraw/zinc/00/44/68/179004468.db2.gz BDZYIYYNVVYJTA-AEGPPILISA-N 1 0 255.402 2.475 10 0 CEAERO C[C@]([NH3+])(CO)CCCCOc1ccc(F)c(F)c1 ZINC000085286816 179004598 /nfs/dbraw/zinc/00/45/98/179004598.db2.gz YQRYEOYVASDROG-CYBMUJFWSA-N 1 0 259.296 2.224 10 0 CEAERO C[C@H]1CC(OC[C@@](C)(CO)[NH2+]C2CC2)C[C@H](C)C1 ZINC000085287514 179004772 /nfs/dbraw/zinc/00/47/72/179004772.db2.gz PKNBONJRXQWKDX-LALPHHSUSA-N 1 0 255.402 2.331 10 0 CEAERO Cc1ccc2[nH]c(SC[C@H](CO)[NH2+]C(C)C)nc2c1 ZINC000085288263 179005536 /nfs/dbraw/zinc/00/55/36/179005536.db2.gz GJPNVRWBXMUYSL-NSHDSACASA-N 1 0 279.409 2.322 10 0 CEAERO Cc1cc(SCCC[C@](C)(CO)[NH2+]C(C)C)n(C)n1 ZINC000085289395 179006237 /nfs/dbraw/zinc/00/62/37/179006237.db2.gz WMNOJPDKBSXKQO-CQSZACIVSA-N 1 0 285.457 2.350 10 0 CEAERO CCC[NH2+][C@@](C)(CO)CSc1nc2ccccc2[nH]1 ZINC000085291697 179007000 /nfs/dbraw/zinc/00/70/00/179007000.db2.gz LSINZWFYWJAHJN-AWEZNQCLSA-N 1 0 279.409 2.406 10 0 CEAERO CCC[NH2+][C@](CO)(CSc1ccccn1)C1CC1 ZINC000085292064 179007691 /nfs/dbraw/zinc/00/76/91/179007691.db2.gz WOFOXFXGCBGVLV-CQSZACIVSA-N 1 0 266.410 2.314 10 0 CEAERO CC[NH2+][C@](CO)(CSc1nc(C)cs1)C1CC1 ZINC000085292593 179007814 /nfs/dbraw/zinc/00/78/14/179007814.db2.gz IYPJVUPZGOTRTR-GFCCVEGCSA-N 1 0 272.439 2.294 10 0 CEAERO CC(C)[NH2+][C@](C)(CO)C[C@@H](C)Sc1ncccn1 ZINC000085292773 179008261 /nfs/dbraw/zinc/00/82/61/179008261.db2.gz RHGWARWJZMFOFJ-YPMHNXCESA-N 1 0 269.414 2.096 10 0 CEAERO CCC[NH2+][C@@](C)(CO)CCCCSCCOC ZINC000085298016 179009084 /nfs/dbraw/zinc/00/90/84/179009084.db2.gz XFMRSDMIXSZRBS-CYBMUJFWSA-N 1 0 263.447 2.287 10 0 CEAERO [NH3+][C@@](CO)(CSc1ccc(F)c(F)c1)C1CC1 ZINC000085298038 179009107 /nfs/dbraw/zinc/00/91/07/179009107.db2.gz CIHPGFROCRDPQM-LBPRGKRZSA-N 1 0 259.321 2.157 10 0 CEAERO Cc1cnc(SCCC[C@@](C)(CO)[NH2+]C2CC2)nc1 ZINC000085297714 179009159 /nfs/dbraw/zinc/00/91/59/179009159.db2.gz QWBXWNFZCYWBLW-AWEZNQCLSA-N 1 0 281.425 2.160 10 0 CEAERO C[NH2+][C@](CO)(CSc1ccc(Cl)cn1)C1CC1 ZINC000085299697 179009749 /nfs/dbraw/zinc/00/97/49/179009749.db2.gz MFWXBZBKWWLGGQ-GFCCVEGCSA-N 1 0 272.801 2.188 10 0 CEAERO C[N@H+](C[C@@](O)(CN)c1ccccc1)C1CCCCC1 ZINC000085304232 179011078 /nfs/dbraw/zinc/01/10/78/179011078.db2.gz KMSPZZAXSLTTDM-INIZCTEOSA-N 1 0 262.397 2.097 10 0 CEAERO Cc1nc2ccccc2n1CCCC[C@@](C)(O)C[NH3+] ZINC000085304612 179012123 /nfs/dbraw/zinc/01/21/23/179012123.db2.gz GXLMQHZRQJOHIP-OAHLLOKOSA-N 1 0 261.369 2.225 10 0 CEAERO Cc1ccccc1OC[C@](O)(C[NH3+])c1ccccc1 ZINC000085307047 179012584 /nfs/dbraw/zinc/01/25/84/179012584.db2.gz XCIMXQGNLMMNMD-MRXNPFEDSA-N 1 0 257.333 2.220 10 0 CEAERO [NH3+]C[C@@](O)(COc1ccc2ccccc2c1)C1CC1 ZINC000085307194 179012697 /nfs/dbraw/zinc/01/26/97/179012697.db2.gz JVDGDEUMVGKCKJ-MRXNPFEDSA-N 1 0 257.333 2.318 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000085355841 179030410 /nfs/dbraw/zinc/03/04/10/179030410.db2.gz PWEZMYXDHZWVMT-NEPJUHHUSA-N 1 0 286.297 2.449 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cn1 ZINC000085357758 179030988 /nfs/dbraw/zinc/03/09/88/179030988.db2.gz JUNLVGSXVMEYAJ-NXEZZACHSA-N 1 0 253.733 2.191 10 0 CEAERO CN(Cc1cccs1)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085358534 179031262 /nfs/dbraw/zinc/03/12/62/179031262.db2.gz ULBDYOBWXJYIBR-VXGBXAGGSA-N 1 0 252.383 2.224 10 0 CEAERO CCOCc1ccccc1NC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085359271 179031786 /nfs/dbraw/zinc/03/17/86/179031786.db2.gz PTQSHELFQYUXFI-CHWSQXEVSA-N 1 0 262.353 2.289 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1C(=O)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000085359060 179031915 /nfs/dbraw/zinc/03/19/15/179031915.db2.gz VRTKNHPSUQJHKU-DGAVXFQQSA-N 1 0 250.386 2.153 10 0 CEAERO CCC(=O)Nc1ccc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000085362931 179034480 /nfs/dbraw/zinc/03/44/80/179034480.db2.gz JWWJAQBTXSCFRP-KBPBESRZSA-N 1 0 289.379 2.491 10 0 CEAERO CN(C)c1ccccc1NC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085363459 179034659 /nfs/dbraw/zinc/03/46/59/179034659.db2.gz HEAHQDNWEWPAMD-VXGBXAGGSA-N 1 0 261.369 2.209 10 0 CEAERO CC(C)C(=O)Nc1cccc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000085363429 179034811 /nfs/dbraw/zinc/03/48/11/179034811.db2.gz LSABHKMHWCDLDQ-ZIAGYGMSSA-N 1 0 289.379 2.347 10 0 CEAERO C[C@@H](CCc1ccc(O)cc1)NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085363982 179035542 /nfs/dbraw/zinc/03/55/42/179035542.db2.gz XBNURIKCNJEJLB-MAZHCROVSA-N 1 0 290.407 2.347 10 0 CEAERO [NH3+][C@@H]1COC[C@@H]1c1nc2cccc(Cl)c2s1 ZINC000085352959 179029567 /nfs/dbraw/zinc/02/95/67/179029567.db2.gz BKMOBPAEGZZCRA-POYBYMJQSA-N 1 0 254.742 2.391 10 0 CEAERO CC[C@@H]([NH3+])c1ncc(I)s1 ZINC000085351972 179029667 /nfs/dbraw/zinc/02/96/67/179029667.db2.gz WZRLMDQIGOYCQW-SCSAIBSYSA-N 1 0 268.123 2.158 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1ccc(-c2cnco2)cc1 ZINC000085365748 179036729 /nfs/dbraw/zinc/03/67/29/179036729.db2.gz UNPYIZHAHMUDMV-CHWSQXEVSA-N 1 0 271.320 2.408 10 0 CEAERO CCC(=O)Nc1cccc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000085370837 179040671 /nfs/dbraw/zinc/04/06/71/179040671.db2.gz MVKBKISEBDZZHQ-KBPBESRZSA-N 1 0 289.379 2.491 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)NCCc1c[nH]c2ccccc12 ZINC000085371652 179041722 /nfs/dbraw/zinc/04/17/22/179041722.db2.gz ACYMANWFCAXGHO-HUUCEWRRSA-N 1 0 285.391 2.344 10 0 CEAERO COc1ccc(Cl)c(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000085372945 179042320 /nfs/dbraw/zinc/04/23/20/179042320.db2.gz OHNCXRKUERSIMO-KOLCDFICSA-N 1 0 268.744 2.415 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)NCc1ccc(F)c(Cl)c1 ZINC000085374208 179042639 /nfs/dbraw/zinc/04/26/39/179042639.db2.gz BGZCWSOUMMZREK-CABZTGNLSA-N 1 0 270.735 2.223 10 0 CEAERO CN(C(=O)[C@H]1CCCC[C@H]1[NH3+])c1ccc(F)cc1 ZINC000085373403 179042759 /nfs/dbraw/zinc/04/27/59/179042759.db2.gz ILQFWZDPPVVILV-QWHCGFSZSA-N 1 0 250.317 2.306 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000085374337 179043470 /nfs/dbraw/zinc/04/34/70/179043470.db2.gz AAQGMPJVNZIGMC-GMSGAONNSA-N 1 0 258.243 2.170 10 0 CEAERO CC1CCC(CCNC(=O)[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000085375966 179043864 /nfs/dbraw/zinc/04/38/64/179043864.db2.gz IRVMWOPDOHPSOO-CLRIEMFWSA-N 1 0 252.402 2.446 10 0 CEAERO COCCOc1cc(C)ccc1NC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085365981 179036313 /nfs/dbraw/zinc/03/63/13/179036313.db2.gz VUYJLWOQRZAUDL-CHWSQXEVSA-N 1 0 292.379 2.086 10 0 CEAERO COC(=O)CCC[NH2+][C@@H]1C[C@H](OCC(C)C)C1(C)C ZINC000085400621 179052075 /nfs/dbraw/zinc/05/20/75/179052075.db2.gz RMIFJCQGJCUCJF-OLZOCXBDSA-N 1 0 271.401 2.369 10 0 CEAERO FC(F)(F)CN(CC(F)(F)F)C1CC[NH2+]CC1 ZINC000085402711 179052174 /nfs/dbraw/zinc/05/21/74/179052174.db2.gz KZIOBYFKWLTSPV-UHFFFAOYSA-N 1 0 264.213 2.165 10 0 CEAERO OCCC1(C[NH2+]C[C@@H](O)c2ccccc2Cl)CC1 ZINC000097817860 185670876 /nfs/dbraw/zinc/67/08/76/185670876.db2.gz RYQPMSXYHUGPME-CYBMUJFWSA-N 1 0 269.772 2.126 10 0 CEAERO C[C@H]([NH3+])c1ncn(Cc2cccc(C(F)(F)F)c2)n1 ZINC000097832380 185672596 /nfs/dbraw/zinc/67/25/96/185672596.db2.gz TYCFLPIVXTUFHQ-QMMMGPOBSA-N 1 0 270.258 2.365 10 0 CEAERO Cc1ccc(F)cc1CN1CCOC[C@H]1C[NH2+]C1CC1 ZINC000097849836 185673387 /nfs/dbraw/zinc/67/33/87/185673387.db2.gz FBBFUILEDFSGMS-MRXNPFEDSA-N 1 0 278.371 2.087 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)Cc1cc(F)ccc1C ZINC000097858168 185673606 /nfs/dbraw/zinc/67/36/06/185673606.db2.gz MQDNGONSRQSZDT-CABCVRRESA-N 1 0 279.355 2.260 10 0 CEAERO C[C@H](NC(=O)[C@@H]1CC[NH2+]C1)c1ccc(Cl)s1 ZINC000062113599 362707258 /nfs/dbraw/zinc/70/72/58/362707258.db2.gz MRRPTMHWWYKBAN-JGVFFNPUSA-N 1 0 258.774 2.188 10 0 CEAERO Cc1cc(C[C@@H](C)[NH3+])ccc1N1CCSCC1 ZINC000111490387 136532252 /nfs/dbraw/zinc/53/22/52/136532252.db2.gz OVJOFEPPPFGLOX-GFCCVEGCSA-N 1 0 250.411 2.438 10 0 CEAERO CC[C@@H](C)[C@@H]1CN[C@H](C(C)C)C[N@@H+]1CCCOC ZINC000085466686 179072022 /nfs/dbraw/zinc/07/20/22/179072022.db2.gz SXTRVBSUVJISBB-ILXRZTDVSA-N 1 0 256.434 2.367 10 0 CEAERO [NH3+]Cc1ccc(Oc2ncncc2Br)cc1 ZINC000085467710 179072303 /nfs/dbraw/zinc/07/23/03/179072303.db2.gz RKGIQFMAJMMCSO-UHFFFAOYSA-N 1 0 280.125 2.490 10 0 CEAERO CCC1(CC)C[NH2+][C@H](C(C)C)CN1[C@@H]1CCOC1 ZINC000085468202 179073391 /nfs/dbraw/zinc/07/33/91/179073391.db2.gz QCWPLWVBUIIFPU-KGLIPLIRSA-N 1 0 254.418 2.264 10 0 CEAERO CC[C@@H]1CN(CCC(F)(F)F)[C@H](C2CC2)C[NH2+]1 ZINC000085473387 179077787 /nfs/dbraw/zinc/07/77/87/179077787.db2.gz ZLVNWXKFPTXAAV-MNOVXSKESA-N 1 0 250.308 2.401 10 0 CEAERO CC[C@H]1CN(Cc2cnn(C)c2)[C@H](C(C)(C)C)C[NH2+]1 ZINC000085473812 179078050 /nfs/dbraw/zinc/07/80/50/179078050.db2.gz JSKLFINMCIDWTN-KBPBESRZSA-N 1 0 264.417 2.019 10 0 CEAERO CC[C@H]1C[N@H+](CC2CCOCC2)[C@@](C)(CC)CN1 ZINC000085474580 179078467 /nfs/dbraw/zinc/07/84/67/179078467.db2.gz MJTPSSMWAHMGNU-GJZGRUSLSA-N 1 0 254.418 2.266 10 0 CEAERO CCOCC[N@@H+]1C[C@H](CC)NCC12CCCCC2 ZINC000085474913 179078519 /nfs/dbraw/zinc/07/85/19/179078519.db2.gz KPVSFLYAFDYMLQ-AWEZNQCLSA-N 1 0 254.418 2.410 10 0 CEAERO CCC[C@@H]1C[NH2+][C@](C)(CC)CN1Cc1ncccn1 ZINC000085494988 179082245 /nfs/dbraw/zinc/08/22/45/179082245.db2.gz VBWOVCYWZMDSHX-UKRRQHHQSA-N 1 0 262.401 2.219 10 0 CEAERO CC[C@H](C)[C@@H]1C[N@H+](CCCOC)[C@H](C2CC2)CN1 ZINC000085492031 179080919 /nfs/dbraw/zinc/08/09/19/179080919.db2.gz MRINLDXISBYYGH-QEJZJMRPSA-N 1 0 254.418 2.121 10 0 CEAERO CC(C)C[C@H]1C[N@H+](C[C@@H]2CCOC2)[C@H](C2CC2)CN1 ZINC000085488180 179081274 /nfs/dbraw/zinc/08/12/74/179081274.db2.gz SZVRZMOVMNAEDX-BPUTZDHNSA-N 1 0 266.429 2.121 10 0 CEAERO CCC[C@@H]1CNC(C)(C)C[N@@H+]1CC1CCOCC1 ZINC000085469685 179075165 /nfs/dbraw/zinc/07/51/65/179075165.db2.gz TYLIFIDGLXVXJZ-CQSZACIVSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@@H](C)[C@@H]1C[NH2+]C(C)(C)CN1Cc1ncccn1 ZINC000085470098 179075202 /nfs/dbraw/zinc/07/52/02/179075202.db2.gz JEPSPIMNPRIRBU-OLZOCXBDSA-N 1 0 262.401 2.075 10 0 CEAERO Cn1cc(CN2CC(C)(C)[NH2+]C[C@H]2C(C)(C)C)cn1 ZINC000085470887 179076277 /nfs/dbraw/zinc/07/62/77/179076277.db2.gz LYTYFBUJQKYXIA-ZDUSSCGKSA-N 1 0 264.417 2.019 10 0 CEAERO COCCN1CC(C)(C)[NH2+]C[C@]1(C)c1ccccc1 ZINC000085471678 179076908 /nfs/dbraw/zinc/07/69/08/179076908.db2.gz CBNNLQCFARPSJL-MRXNPFEDSA-N 1 0 262.397 2.232 10 0 CEAERO CC[C@]1(C)C[NH2+]C2(CCCCC2)CN1CCOCCOC ZINC000085503715 179084898 /nfs/dbraw/zinc/08/48/98/179084898.db2.gz MPVDWLPWNDIXNP-MRXNPFEDSA-N 1 0 298.471 2.426 10 0 CEAERO CC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1ccccn1 ZINC000085510423 179085399 /nfs/dbraw/zinc/08/53/99/179085399.db2.gz FJQZVIGZGDZQRG-CVEARBPZSA-N 1 0 259.397 2.434 10 0 CEAERO CC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1CCOCC(F)(F)F ZINC000085510092 179086023 /nfs/dbraw/zinc/08/60/23/179086023.db2.gz IRCJXLOGCBXOTG-OLZOCXBDSA-N 1 0 294.361 2.418 10 0 CEAERO CC[C@]1(C)C[NH2+][C@@](C)(C2CC2)CN1CCn1ccnc1C ZINC000085515080 179086247 /nfs/dbraw/zinc/08/62/47/179086247.db2.gz WOESXCBCIFENQW-IAGOWNOFSA-N 1 0 290.455 2.434 10 0 CEAERO COCCOCCN1C[C@](C)(C2CC2)[NH2+]C[C@@H]1CC(C)C ZINC000085513339 179086269 /nfs/dbraw/zinc/08/62/69/179086269.db2.gz UDTGYBHIDRCZJC-DLBZAZTESA-N 1 0 298.471 2.138 10 0 CEAERO C[NH2+]CCCc1cn(C)c2cc(OC)cc(OC)c12 ZINC000098160251 185694875 /nfs/dbraw/zinc/69/48/75/185694875.db2.gz VAVNBWKTMOOXNA-UHFFFAOYSA-N 1 0 262.353 2.348 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@](C)(C2CC2)CN1CCn1cccn1 ZINC000085515065 179086374 /nfs/dbraw/zinc/08/63/74/179086374.db2.gz VPWSBOPGJWFZQH-HOTGVXAUSA-N 1 0 276.428 2.126 10 0 CEAERO CC(C)C[C@H]1C[NH2+][C@](C)(C2CC2)CN1CCn1cccn1 ZINC000085513233 179086472 /nfs/dbraw/zinc/08/64/72/179086472.db2.gz JVXWDQNCDIBUFM-IRXDYDNUSA-N 1 0 290.455 2.372 10 0 CEAERO CC[C@@H]1C[NH2+]C(CC)(CC)CN1Cc1cnn(C)c1 ZINC000085517558 179087958 /nfs/dbraw/zinc/08/79/58/179087958.db2.gz SMQSCHWQGCXRHJ-CQSZACIVSA-N 1 0 264.417 2.163 10 0 CEAERO CN1C[C@H]([NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)CC1=O ZINC000336789728 365810856 /nfs/dbraw/zinc/81/08/56/365810856.db2.gz JUDHCCBPKMQERM-AGIUHOORSA-N 1 0 252.402 2.412 10 0 CEAERO CC(C)[C@H]1CNC2(CCCC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085498111 179083225 /nfs/dbraw/zinc/08/32/25/179083225.db2.gz KZZVPDYRWYKPQH-LSDHHAIUSA-N 1 0 266.429 2.266 10 0 CEAERO COCCC[N@@H+]1CC2(CCCC2)NC[C@]1(C)C1CC1 ZINC000085498736 179083463 /nfs/dbraw/zinc/08/34/63/179083463.db2.gz SLXZKACKPMYPGU-OAHLLOKOSA-N 1 0 266.429 2.410 10 0 CEAERO C[C@H]1C[NH2+]C2(CCCC2)CN1CCOCC(F)(F)F ZINC000085497497 179083593 /nfs/dbraw/zinc/08/35/93/179083593.db2.gz IULMTAQVTALRPV-NSHDSACASA-N 1 0 280.334 2.172 10 0 CEAERO CCc1nc2c(n1-c1ccc(OC)c(C)c1)CC[NH2+]C2 ZINC000085572484 179097497 /nfs/dbraw/zinc/09/74/97/179097497.db2.gz JBDNLYFGQQQKKI-UHFFFAOYSA-N 1 0 271.364 2.397 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CCc1ccccc1O ZINC000128940337 365811851 /nfs/dbraw/zinc/81/18/51/365811851.db2.gz ANPYOLNHFWVKDS-OAHLLOKOSA-N 1 0 292.423 2.417 10 0 CEAERO CCC1(CC)CN[C@@H](C2CC2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085528848 179090244 /nfs/dbraw/zinc/09/02/44/179090244.db2.gz QPEFHLSQZMAKKA-LSDHHAIUSA-N 1 0 266.429 2.408 10 0 CEAERO c1cn(CCC[N@@H+]2C[C@H](C3CC3)NCC23CCCC3)cn1 ZINC000085528996 179090780 /nfs/dbraw/zinc/09/07/80/179090780.db2.gz PJJOMIJXNNFJJY-MRXNPFEDSA-N 1 0 288.439 2.270 10 0 CEAERO Cc1cccc(CSCC(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000602595922 347093448 /nfs/dbraw/zinc/09/34/48/347093448.db2.gz ZGOMNHAJYWDGLX-HIFRSBDPSA-N 1 0 292.448 2.281 10 0 CEAERO COCCN1C[C@@H](C2CCCCC2)[NH2+]CC1(C)C ZINC000085531102 179091377 /nfs/dbraw/zinc/09/13/77/179091377.db2.gz XJEJKFNQZFSZNF-AWEZNQCLSA-N 1 0 254.418 2.266 10 0 CEAERO Cc1ccc(F)c(O[C@H](c2cnn(C)c2)[C@H](C)[NH3+])c1 ZINC000085533359 179091834 /nfs/dbraw/zinc/09/18/34/179091834.db2.gz UMJNMIYTFRZOIV-HZMBPMFUSA-N 1 0 263.316 2.335 10 0 CEAERO CC(C)Cc1nc2c(n1C1CCC(O)CC1)CC[NH2+]C2 ZINC000085569070 179095951 /nfs/dbraw/zinc/09/59/51/179095951.db2.gz NBJICJAJAVCUQT-UHFFFAOYSA-N 1 0 277.412 2.203 10 0 CEAERO CCCc1nc2c(n1-c1ccc3c(c1)OCO3)CC[NH2+]C2 ZINC000085569418 179096241 /nfs/dbraw/zinc/09/62/41/179096241.db2.gz NKRYOGDWZIONDF-UHFFFAOYSA-N 1 0 285.347 2.199 10 0 CEAERO C[C@](O)(C[NH2+][C@@H](CO)c1ccccc1)c1ccccc1 ZINC000063002183 362741147 /nfs/dbraw/zinc/74/11/47/362741147.db2.gz NNWBEWCINRQOQL-IRXDYDNUSA-N 1 0 271.360 2.217 10 0 CEAERO CCCCCNC(=O)[C@@H](C)[NH2+][C@H](CO)c1ccccc1 ZINC000063002751 362741461 /nfs/dbraw/zinc/74/14/61/362741461.db2.gz HWLANVKXKZNXNO-UKRRQHHQSA-N 1 0 278.396 2.005 10 0 CEAERO C[C@](O)(C[NH2+][C@H](CO)c1ccccc1)c1ccccc1 ZINC000063002185 362741541 /nfs/dbraw/zinc/74/15/41/362741541.db2.gz NNWBEWCINRQOQL-SJORKVTESA-N 1 0 271.360 2.217 10 0 CEAERO FC(F)CN1CCC[NH2+][C@H](Cc2ccccc2)C1 ZINC000085608616 179100942 /nfs/dbraw/zinc/10/09/42/179100942.db2.gz YQVOZHCOZZFCEF-CYBMUJFWSA-N 1 0 254.324 2.158 10 0 CEAERO CC(C)(C)[C@H]1CN(CCOCC(F)(F)F)CCC[NH2+]1 ZINC000085613613 179103242 /nfs/dbraw/zinc/10/32/42/179103242.db2.gz WRWUQCSOMYCFPM-LLVKDONJSA-N 1 0 282.350 2.275 10 0 CEAERO Cn1cc(CN2CCC[NH2+][C@@](C)(c3ccccc3)C2)cn1 ZINC000085615832 179104377 /nfs/dbraw/zinc/10/43/77/179104377.db2.gz OGYVSVXRIUIECD-QGZVFWFLSA-N 1 0 284.407 2.131 10 0 CEAERO CCN(CC)C(=O)[C@H](C)[NH2+][C@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085673851 179111691 /nfs/dbraw/zinc/11/16/91/179111691.db2.gz YLTMFRUYFKBATA-XUXIUFHCSA-N 1 0 282.428 2.037 10 0 CEAERO CCc1cc2c(ncnc2N2CC[C@H]([NH2+]C)C2)s1 ZINC000129107790 365824775 /nfs/dbraw/zinc/82/47/75/365824775.db2.gz CUYJQRISPNTESL-VIFPVBQESA-N 1 0 262.382 2.052 10 0 CEAERO C[NH2+]Cc1nc(-c2cc(F)cc(Br)c2)no1 ZINC000085633149 179108825 /nfs/dbraw/zinc/10/88/25/179108825.db2.gz IUTDAPLWDWKPQF-UHFFFAOYSA-N 1 0 286.104 2.358 10 0 CEAERO [NH3+]CCCc1nnc(-c2ccncc2Cl)s1 ZINC000085705125 179120407 /nfs/dbraw/zinc/12/04/07/179120407.db2.gz SGOKSWQMEICVIJ-UHFFFAOYSA-N 1 0 254.746 2.145 10 0 CEAERO NC(=O)c1cc(F)ccc1N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000111027505 136560600 /nfs/dbraw/zinc/56/06/00/136560600.db2.gz AGUPGRXGXIDNNB-DZGCQCFKSA-N 1 0 291.370 2.036 10 0 CEAERO Cc1sc2ncnc(N3C[C@H](C[NH3+])C[C@@H]3C)c2c1C ZINC000216167123 282492566 /nfs/dbraw/zinc/49/25/66/282492566.db2.gz NYPIHMWDPWTIOI-KWQFWETISA-N 1 0 276.409 2.482 10 0 CEAERO CC1(CNc2cnc3ccccc3n2)CC[NH2+]CC1 ZINC000129493903 365864388 /nfs/dbraw/zinc/86/43/88/365864388.db2.gz CNMJYWGATSNSCP-UHFFFAOYSA-N 1 0 256.353 2.431 10 0 CEAERO C[C@H](CNc1nc(Cl)ncc1Br)[NH+](C)C ZINC000085787767 179171640 /nfs/dbraw/zinc/17/16/40/179171640.db2.gz XDRGPFDXMGSLNQ-ZCFIWIBFSA-N 1 0 293.596 2.255 10 0 CEAERO C[NH+](C)C[C@H](O)Cc1ccc(F)cc1Br ZINC000085794518 179173205 /nfs/dbraw/zinc/17/32/05/179173205.db2.gz MNFMQIOZQLDEDQ-SNVBAGLBSA-N 1 0 276.149 2.053 10 0 CEAERO CCC[NH2+][C@H](Cc1ccccc1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000085800698 179173734 /nfs/dbraw/zinc/17/37/34/179173734.db2.gz ZZRRWCGUNVUYNF-KZNAEPCWSA-N 1 0 288.435 2.461 10 0 CEAERO [NH3+][C@]1(C(=O)Nc2ccc(Cl)c(Cl)c2)CCOC1 ZINC000085867819 179192241 /nfs/dbraw/zinc/19/22/41/179192241.db2.gz YSAMLKHHIDWOFB-LLVKDONJSA-N 1 0 275.135 2.050 10 0 CEAERO O=C(Cc1ccc(F)c(F)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000128484553 187372816 /nfs/dbraw/zinc/37/28/16/187372816.db2.gz DIPXYBHRNXMCRN-ZDUSSCGKSA-N 1 0 294.345 2.204 10 0 CEAERO CC(C)C[C@@H](NC(=O)[C@]1([NH3+])CCOC1)c1ccccc1 ZINC000085872135 179193451 /nfs/dbraw/zinc/19/34/51/179193451.db2.gz WDOMSUFMCRWZAX-ZBFHGGJFSA-N 1 0 276.380 2.008 10 0 CEAERO CC(C)(C)[C@@H](NC(=O)[C@@]1([NH3+])CCOC1)c1ccccc1 ZINC000085871717 179193499 /nfs/dbraw/zinc/19/34/99/179193499.db2.gz FYYIRMIRZGRHNB-XJKSGUPXSA-N 1 0 276.380 2.008 10 0 CEAERO Cc1cccc(OCCC(=O)NC[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000085963800 179205408 /nfs/dbraw/zinc/20/54/08/179205408.db2.gz TZOSEHFKWYRZSM-ZBFHGGJFSA-N 1 0 290.407 2.398 10 0 CEAERO COc1cc(C[NH2+]C[C@H]2CCCC[C@H]2O)ccc1O ZINC000085963996 179205419 /nfs/dbraw/zinc/20/54/19/179205419.db2.gz PIUGMQDCCUKCCH-CHWSQXEVSA-N 1 0 265.353 2.042 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1CNC(=O)Cc1ccccc1F ZINC000085963754 179205515 /nfs/dbraw/zinc/20/55/15/179205515.db2.gz OTQCJRACGFODAB-OCCSQVGLSA-N 1 0 264.344 2.002 10 0 CEAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1[nH]nnc1-c1ccccc1 ZINC000085973586 179207200 /nfs/dbraw/zinc/20/72/00/179207200.db2.gz WSALWYFJFWAKQI-UKRRQHHQSA-N 1 0 286.379 2.112 10 0 CEAERO CCS(=O)(=O)c1ccccc1NC[C@H]1CCCC[C@H]1[NH3+] ZINC000085975214 179207799 /nfs/dbraw/zinc/20/77/99/179207799.db2.gz QLWHAIWRALHRDU-CHWSQXEVSA-N 1 0 296.436 2.410 10 0 CEAERO CC(C)Oc1cncc(NC[C@H]2CCCC[C@@H]2[NH3+])n1 ZINC000085975026 179207902 /nfs/dbraw/zinc/20/79/02/179207902.db2.gz AFVQITRGFGXTDW-NEPJUHHUSA-N 1 0 264.373 2.193 10 0 CEAERO [NH3+][C@]1(CN2CCC3(CCCCC3)CC2)CCOC1 ZINC000085915014 179197960 /nfs/dbraw/zinc/19/79/60/179197960.db2.gz MNUGFSAUVKSSRD-HNNXBMFYSA-N 1 0 252.402 2.151 10 0 CEAERO CCC[NH2+][C@@H](CCO)CN1CCC(C)(CC)CC1 ZINC000085922914 179201605 /nfs/dbraw/zinc/20/16/05/179201605.db2.gz AQBPUNZVMFLYHG-AWEZNQCLSA-N 1 0 256.434 2.249 10 0 CEAERO CCCOc1ccc(OC[C@H](CCO)[NH2+]CC)cc1 ZINC000085925582 179202299 /nfs/dbraw/zinc/20/22/99/179202299.db2.gz GUPLSFLJBXYQIQ-ZDUSSCGKSA-N 1 0 267.369 2.215 10 0 CEAERO Cc1nc(CN(C)C[C@@H]2Cc3ccccc3C[N@@H+]2C)c[nH]1 ZINC000065385669 362815275 /nfs/dbraw/zinc/81/52/75/362815275.db2.gz DGAFLTHJOFDPEM-KRWDZBQOSA-N 1 0 284.407 2.207 10 0 CEAERO CCCCc1ccc([C@@H]([NH3+])[C@H]2CCS(=O)(=O)C2)cc1 ZINC000086020047 179217662 /nfs/dbraw/zinc/21/76/62/179217662.db2.gz CNYMYSUPKSPQBD-LSDHHAIUSA-N 1 0 281.421 2.464 10 0 CEAERO CC[NH2+][C@@H](c1ccc(CC)s1)[C@H]1CCS(=O)(=O)C1 ZINC000086020958 179217819 /nfs/dbraw/zinc/21/78/19/179217819.db2.gz NNWLACZKTJFJFN-GXFFZTMASA-N 1 0 287.450 2.396 10 0 CEAERO O[C@@H]1CCCC[C@H]1C[NH2+]CCCOCC(F)(F)F ZINC000085985608 179211823 /nfs/dbraw/zinc/21/18/23/179211823.db2.gz LTXFNDYPCUNNBL-WDEREUQCSA-N 1 0 269.307 2.096 10 0 CEAERO O=C(C[NH2+]C[C@H]1CCCC[C@H]1O)Nc1ccc(Cl)cc1 ZINC000085987022 179212127 /nfs/dbraw/zinc/21/21/27/179212127.db2.gz FVTNMHFTFZOIBA-BXUZGUMPSA-N 1 0 296.798 2.419 10 0 CEAERO C[C@H]1[C@H]([NH3+])CC[C@@H]1S(=O)(=O)c1cccc(Cl)c1 ZINC000086041696 179222406 /nfs/dbraw/zinc/22/24/06/179222406.db2.gz BSGIQKVIIXPLET-AXTRIDKLSA-N 1 0 273.785 2.240 10 0 CEAERO CCC[NH2+][C@H]1CC[C@H](Sc2n[nH]c(=O)n2C(C)C)[C@@H]1C ZINC000086045596 179222830 /nfs/dbraw/zinc/22/28/30/179222830.db2.gz IIIRGCKCYKIAGG-WOPDTQHZSA-N 1 0 298.456 2.411 10 0 CEAERO CCC[NH2+][C@H]1CC[C@H](Sc2n[nH]c(C)n2)[C@@H]1C ZINC000086046051 179223161 /nfs/dbraw/zinc/22/31/61/179223161.db2.gz GRSONMATZFUOAC-MIMYLULJSA-N 1 0 254.403 2.372 10 0 CEAERO C[NH2+][C@H]1CC[C@H](Sc2nnnn2C2CCCC2)[C@@H]1C ZINC000086044705 179223225 /nfs/dbraw/zinc/22/32/25/179223225.db2.gz MNMFNOZXHYEWAK-USWWRNFRSA-N 1 0 281.429 2.267 10 0 CEAERO C[C@@H]1CC[C@H]([NH2+]Cc2nc3ccccc3c(=O)[nH]2)[C@@H]1C ZINC000086075545 179225757 /nfs/dbraw/zinc/22/57/57/179225757.db2.gz VVBCGMGKFMFOPL-WZRBSPASSA-N 1 0 271.364 2.447 10 0 CEAERO C[C@@H]1CC[C@@H](NC(=O)c2ccccc2CC[NH3+])[C@@H]1C ZINC000086075805 179225902 /nfs/dbraw/zinc/22/59/02/179225902.db2.gz XZSXYKOJENBHQV-LALPHHSUSA-N 1 0 260.381 2.352 10 0 CEAERO CC[NH2+][C@H](c1cc(C)ccc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000086021991 179218843 /nfs/dbraw/zinc/21/88/43/179218843.db2.gz DTILVXLOEVITHJ-DOMZBBRYSA-N 1 0 297.420 2.089 10 0 CEAERO CCC[NH2+][C@H](Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000086025881 179219294 /nfs/dbraw/zinc/21/92/94/179219294.db2.gz SONTXSBLLBUCHH-WCQYABFASA-N 1 0 287.450 2.094 10 0 CEAERO CCC[NH2+][C@H](Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000086026302 179220115 /nfs/dbraw/zinc/22/01/15/179220115.db2.gz ZFKBUZHHUUCEJM-UKRRQHHQSA-N 1 0 299.411 2.171 10 0 CEAERO CC[NH2+][C@@H]1CC[C@@H](S(=O)(=O)c2cccs2)[C@@H]1C ZINC000086040892 179222130 /nfs/dbraw/zinc/22/21/30/179222130.db2.gz MTOIUYVGRGYIQF-GMTAPVOTSA-N 1 0 273.423 2.298 10 0 CEAERO CC[NH2+][C@@H]1CC[C@H](S(=O)(=O)c2cccs2)[C@@H]1C ZINC000086040888 179222279 /nfs/dbraw/zinc/22/22/79/179222279.db2.gz MTOIUYVGRGYIQF-MXWKQRLJSA-N 1 0 273.423 2.298 10 0 CEAERO NNc1cccc(COc2cc(F)ccc2F)[nH+]1 ZINC000086117790 179235060 /nfs/dbraw/zinc/23/50/60/179235060.db2.gz LPOXWAKSOQSSNF-UHFFFAOYSA-N 1 0 251.236 2.224 10 0 CEAERO Cc1csc(CN2CC[NH2+][C@H](C(C)(C)C)C2)n1 ZINC000086144319 179237359 /nfs/dbraw/zinc/23/73/59/179237359.db2.gz VTIWUIVRJQWRDW-NSHDSACASA-N 1 0 253.415 2.271 10 0 CEAERO Cc1ncc(CN2CC[NH2+][C@H](C(C)(C)C)C2)s1 ZINC000086144147 179238168 /nfs/dbraw/zinc/23/81/68/179238168.db2.gz VBOWAZYKIKPRJO-LBPRGKRZSA-N 1 0 253.415 2.271 10 0 CEAERO CC[C@H]1CC[C@H](NC(=O)C[C@@H]2CCC[NH2+]C2)[C@@H]1C ZINC000086094184 179228985 /nfs/dbraw/zinc/22/89/85/179228985.db2.gz UFNADIGFJQJIAZ-RFGFWPKPSA-N 1 0 252.402 2.317 10 0 CEAERO CC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCCCC2)[C@@H]1C ZINC000086097663 179229348 /nfs/dbraw/zinc/22/93/48/179229348.db2.gz QCNGREGFBFBAJX-HZSPNIEDSA-N 1 0 252.402 2.413 10 0 CEAERO CC[C@@H](C)[C@@H]1CN([C@@H]2COc3ccccc32)CC[NH2+]1 ZINC000086150068 179240816 /nfs/dbraw/zinc/24/08/16/179240816.db2.gz INXRMGAHXNUSRZ-VHDGCEQUSA-N 1 0 260.381 2.440 10 0 CEAERO C[C@H]1CN[C@@H](Cc2ccccc2)C[N@@H+]1C1CCOCC1 ZINC000086154450 179241359 /nfs/dbraw/zinc/24/13/59/179241359.db2.gz GLLAMSONOWUOCN-HOCLYGCPSA-N 1 0 274.408 2.070 10 0 CEAERO CC[C@H]1C[NH2+][C@@H](Cc2ccccc2)CN1c1cnn(C)c1 ZINC000086154194 179241478 /nfs/dbraw/zinc/24/14/78/179241478.db2.gz QTYYFIJBQRXVNM-HOTGVXAUSA-N 1 0 284.407 2.220 10 0 CEAERO CC[C@H]1CN[C@@H](Cc2ccccc2)C[N@@H+]1C1CCOCC1 ZINC000086154443 179241501 /nfs/dbraw/zinc/24/15/01/179241501.db2.gz XXOYDDVIKCACCF-IRXDYDNUSA-N 1 0 288.435 2.461 10 0 CEAERO COCCCCN1C[C@H](Cc2ccccc2)[NH2+]C[C@@H]1C ZINC000086173792 179244354 /nfs/dbraw/zinc/24/43/54/179244354.db2.gz OYXUBPKVZRZISU-RDJZCZTQSA-N 1 0 276.424 2.318 10 0 CEAERO CC[C@H](C)[C@@H]1CN(Cc2ccnc(C)n2)[C@@H](CC)C[NH2+]1 ZINC000086174028 179245611 /nfs/dbraw/zinc/24/56/11/179245611.db2.gz WOEKKKVUMBDVTB-RCBQFDQVSA-N 1 0 276.428 2.384 10 0 CEAERO CC(C)[C@@H]1CN(CCc2cc(F)cc(F)c2)CC[NH2+]1 ZINC000086147652 179239723 /nfs/dbraw/zinc/23/97/23/179239723.db2.gz OXBVMOGWLBBKCP-HNNXBMFYSA-N 1 0 268.351 2.437 10 0 CEAERO CC[C@@H]1CN(c2cnn(CC)c2)[C@H](C(C)C)C[NH2+]1 ZINC000086218552 179249470 /nfs/dbraw/zinc/24/94/70/179249470.db2.gz GYBMVLMWOXKWRS-OCCSQVGLSA-N 1 0 250.390 2.116 10 0 CEAERO CC(C)C[C@@H]1CN([C@@H](C)[C@@H]2CCCO2)[C@@H](C)C[NH2+]1 ZINC000086218219 179249778 /nfs/dbraw/zinc/24/97/78/179249778.db2.gz LWQCPZFDPWPQOX-XQLPTFJDSA-N 1 0 254.418 2.262 10 0 CEAERO CC[C@@H]1C[NH2+][C@@](C)(CC)CN1CCc1ccccn1 ZINC000086221462 179250694 /nfs/dbraw/zinc/25/06/94/179250694.db2.gz PFJIBKITNGUPNE-CVEARBPZSA-N 1 0 261.413 2.477 10 0 CEAERO CC[C@H]1CN[C@@H](C(C)(C)C)C[N@@H+]1C1CCOCC1 ZINC000086218781 179251060 /nfs/dbraw/zinc/25/10/60/179251060.db2.gz NXXFXMQVYXDLSO-GXTWGEPZSA-N 1 0 254.418 2.264 10 0 CEAERO CC(C)C[C@@H]1CN(CCc2ccccn2)[C@@H](C)C[NH2+]1 ZINC000086221471 179251152 /nfs/dbraw/zinc/25/11/52/179251152.db2.gz JTGLQAOCIUDNCU-GOEBONIOSA-N 1 0 261.413 2.333 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C2CC2)CN1CCc1ccccn1 ZINC000086221459 179251253 /nfs/dbraw/zinc/25/12/53/179251253.db2.gz FHUCRWKWQMXCNV-HOTGVXAUSA-N 1 0 259.397 2.087 10 0 CEAERO CC[C@H]1C[NH2+][C@@](C)(C2CC2)CN1CCc1cccnc1 ZINC000086223195 179251830 /nfs/dbraw/zinc/25/18/30/179251830.db2.gz YQTLZEQNJQULJU-DLBZAZTESA-N 1 0 273.424 2.477 10 0 CEAERO CC[C@H]1C[NH2+][C@@](C)(C2CC2)CN1CCc1ccncc1 ZINC000086223293 179252286 /nfs/dbraw/zinc/25/22/86/179252286.db2.gz BAMJICSBEQNPGN-DLBZAZTESA-N 1 0 273.424 2.477 10 0 CEAERO CC[C@H]1C[NH2+][C@](C)(CC)CN1CCc1cccnc1 ZINC000086223237 179252604 /nfs/dbraw/zinc/25/26/04/179252604.db2.gz DELDSZGGIYSLIO-JKSUJKDBSA-N 1 0 261.413 2.477 10 0 CEAERO CC[C@H]1C[NH2+][C@H](C2CC2)CN1Cc1nccs1 ZINC000086226847 179253940 /nfs/dbraw/zinc/25/39/40/179253940.db2.gz QXPPOMDZKIWDRI-RYUDHWBXSA-N 1 0 251.399 2.106 10 0 CEAERO CC[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1cc(C)no1 ZINC000086260359 179259072 /nfs/dbraw/zinc/25/90/72/179259072.db2.gz FPPZQUGBBJDGSV-UKRRQHHQSA-N 1 0 263.385 2.336 10 0 CEAERO Cc1cc(CN2CC(C)(C)[NH2+]C[C@@H]2C(C)C)on1 ZINC000086260383 179259380 /nfs/dbraw/zinc/25/93/80/179259380.db2.gz KIVJIJLMEXOTBA-CYBMUJFWSA-N 1 0 251.374 2.191 10 0 CEAERO COC[C@H](C)C[N@@H+]1C[C@H](c2ccccc2)NC[C@@H]1C ZINC000086260918 179259796 /nfs/dbraw/zinc/25/97/96/179259796.db2.gz WSULEUMPGUAPON-IJEWVQPXSA-N 1 0 262.397 2.304 10 0 CEAERO CC[C@@H]1CN[C@](C)(C2CC2)C[N@@H+]1[C@@H]1CCC[C@@H]1OC ZINC000086261317 179259904 /nfs/dbraw/zinc/25/99/04/179259904.db2.gz REDORSUYUSGWAP-WCVJEAGWSA-N 1 0 266.429 2.406 10 0 CEAERO CC[C@H]1C[NH2+][C@](C)(CC)CN1Cc1ccnc(OC)c1 ZINC000086263846 179260907 /nfs/dbraw/zinc/26/09/07/179260907.db2.gz JZULXTWHHHAETM-GOEBONIOSA-N 1 0 277.412 2.443 10 0 CEAERO CCC[C@@H](COC)[N@@H+]1C[C@H](C2CC2)NC[C@@H]1CC ZINC000086267557 179261621 /nfs/dbraw/zinc/26/16/21/179261621.db2.gz SOCFRTZPPOYFMB-SOUVJXGZSA-N 1 0 254.418 2.264 10 0 CEAERO CC(C)C[C@@H]1CN(Cc2cscn2)[C@@H](C)C[NH2+]1 ZINC000086265472 179261963 /nfs/dbraw/zinc/26/19/63/179261963.db2.gz DWSUTENEYCLNJZ-NWDGAFQWSA-N 1 0 253.415 2.352 10 0 CEAERO CSCCC[N@@H+]1C[C@@H](C2CC2)NC[C@@H]1C(C)C ZINC000086266284 179262304 /nfs/dbraw/zinc/26/23/04/179262304.db2.gz MANWDHZOFJOLJS-UONOGXRCSA-N 1 0 256.459 2.448 10 0 CEAERO Cc1nc(CN2CCC[NH2+][C@@H](C(C)C)C2)cs1 ZINC000086290013 179264856 /nfs/dbraw/zinc/26/48/56/179264856.db2.gz ZGDGARKQFPPRDP-CYBMUJFWSA-N 1 0 253.415 2.271 10 0 CEAERO Cc1nc(CN2CCC[NH2+][C@@H](C3CC3)C2)cs1 ZINC000086290011 179264958 /nfs/dbraw/zinc/26/49/58/179264958.db2.gz IOEDMDGGOFORAS-CYBMUJFWSA-N 1 0 251.399 2.025 10 0 CEAERO Cc1cc(CN2CCC[NH2+][C@@H](CC(C)C)C2)no1 ZINC000086292096 179266334 /nfs/dbraw/zinc/26/63/34/179266334.db2.gz XGAZXXWONLBJPO-ZDUSSCGKSA-N 1 0 251.374 2.193 10 0 CEAERO COc1ccc(CN2CCC[NH2+][C@@H](C3CC3)C2)c(OC)c1 ZINC000086297690 179267792 /nfs/dbraw/zinc/26/77/92/179267792.db2.gz OXVWYAICZXJTJI-MRXNPFEDSA-N 1 0 290.407 2.278 10 0 CEAERO CC(C)(C)[NH2+]CCc1nnc(-c2ccncc2F)o1 ZINC000086317139 179269433 /nfs/dbraw/zinc/26/94/33/179269433.db2.gz ANWWSDIUOYYWTO-UHFFFAOYSA-N 1 0 264.304 2.201 10 0 CEAERO [NH3+]C[C@@H](NC[C@H]1CCCO1)c1cc(Cl)cs1 ZINC000086333405 179273797 /nfs/dbraw/zinc/27/37/97/179273797.db2.gz UZFXKVKLAPBXAK-NXEZZACHSA-N 1 0 260.790 2.170 10 0 CEAERO [NH3+][C@@H]1CC[C@H](Oc2ccc(Br)cn2)C1 ZINC000086408113 179285835 /nfs/dbraw/zinc/28/58/35/179285835.db2.gz KXZSBZUNABXUTK-BDAKNGLRSA-N 1 0 257.131 2.103 10 0 CEAERO [NH3+][C@H]1CCCc2sc(N3CCCSCC3)nc21 ZINC000086443912 179294263 /nfs/dbraw/zinc/29/42/63/179294263.db2.gz WSDYKGKVTVLARP-VIFPVBQESA-N 1 0 269.439 2.423 10 0 CEAERO C[C@H]1CSCCN1c1nc2c(s1)CCC[C@@H]2[NH3+] ZINC000086444265 179294777 /nfs/dbraw/zinc/29/47/77/179294777.db2.gz FLTOBHAGYKJAFH-IUCAKERBSA-N 1 0 269.439 2.421 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)c1ccc(OC)c(F)c1 ZINC000086446603 179294978 /nfs/dbraw/zinc/29/49/78/179294978.db2.gz RUOQSBMSGDOGKL-QWHCGFSZSA-N 1 0 294.370 2.437 10 0 CEAERO CC[C@@H]1CN(C(=O)Cc2cccs2)[C@H](CC)C[NH2+]1 ZINC000086447603 179295635 /nfs/dbraw/zinc/29/56/35/179295635.db2.gz IHOVQVVJGXKTMC-VXGBXAGGSA-N 1 0 266.410 2.280 10 0 CEAERO Nc1ccc(Br)cc1S[C@@H]1CC[NH2+]C1 ZINC000086479015 179300671 /nfs/dbraw/zinc/30/06/71/179300671.db2.gz DTRHRFCILIHVFY-MRVPVSSYSA-N 1 0 273.199 2.485 10 0 CEAERO CC1(C)C[NH+]=C(N)N1c1ccc(Br)cc1 ZINC000086474539 179300771 /nfs/dbraw/zinc/30/07/71/179300771.db2.gz MUXBHCSKNMTBMD-UHFFFAOYSA-N 1 0 268.158 2.362 10 0 CEAERO Cc1nc(C[NH3+])sc1-c1nc(C2CCC2)no1 ZINC000086485970 179301490 /nfs/dbraw/zinc/30/14/90/179301490.db2.gz KYXAHEGZTSQZFJ-UHFFFAOYSA-N 1 0 250.327 2.228 10 0 CEAERO CC1(c2nc([C@@H]3Cc4ccccc43)no2)CC[NH2+]CC1 ZINC000086486344 179301800 /nfs/dbraw/zinc/30/18/00/179301800.db2.gz GKOYSGAOXMIQAF-CYBMUJFWSA-N 1 0 269.348 2.399 10 0 CEAERO CCn1cc(C[C@H]([NH2+]C)[C@H]2Cc3ccccc32)cn1 ZINC000086488994 179302708 /nfs/dbraw/zinc/30/27/08/179302708.db2.gz DPJJXISBIYWNCX-HOTGVXAUSA-N 1 0 255.365 2.373 10 0 CEAERO C[C@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)c1nccs1 ZINC000086509746 179304173 /nfs/dbraw/zinc/30/41/73/179304173.db2.gz UFBOOZIFLARIRP-JTQLQIEISA-N 1 0 279.409 2.195 10 0 CEAERO CC[C@@H]1CN(Cc2nnc(C(C)(C)C)o2)[C@@H](CC)C[NH2+]1 ZINC000086464862 179296924 /nfs/dbraw/zinc/29/69/24/179296924.db2.gz JLUPQTHSWKTANO-NEPJUHHUSA-N 1 0 280.416 2.330 10 0 CEAERO CC[C@H]1CN(CC(=O)Nc2ccccc2)[C@@H](CC)C[NH2+]1 ZINC000086464490 179297107 /nfs/dbraw/zinc/29/71/07/179297107.db2.gz XRNZGSBBAYRMDL-ZFWWWQNUSA-N 1 0 275.396 2.088 10 0 CEAERO C[C@@H]1CN(C(=O)C23CC4CC(CC(C4)C2)C3)[C@H](C)C[NH2+]1 ZINC000086467926 179298667 /nfs/dbraw/zinc/29/86/67/179298667.db2.gz XGTJEWOVTMSBDU-INOYMQOOSA-N 1 0 276.424 2.412 10 0 CEAERO O[C@@H](C[NH2+]C1CC1)c1cscc1Br ZINC000086558349 179307609 /nfs/dbraw/zinc/30/76/09/179307609.db2.gz GGUGIRBWBGKSMZ-VIFPVBQESA-N 1 0 262.172 2.296 10 0 CEAERO CCN(CCOC)[C@@H](C[NH3+])c1ccc(OC)c(Cl)c1 ZINC000086594966 179310704 /nfs/dbraw/zinc/31/07/04/179310704.db2.gz RGRCYRRCRMAJCU-ZDUSSCGKSA-N 1 0 286.803 2.317 10 0 CEAERO Cc1cccnc1-c1nc2cc(C[NH3+])ccc2n1C ZINC000086641264 179315145 /nfs/dbraw/zinc/31/51/45/179315145.db2.gz NZKHXHHIIKQQIB-UHFFFAOYSA-N 1 0 252.321 2.402 10 0 CEAERO C[C@H](CO)C[NH2+]CC(=O)Nc1c(Cl)cccc1Cl ZINC000086631462 179315147 /nfs/dbraw/zinc/31/51/47/179315147.db2.gz PENFVKJFXAYSDU-QMMMGPOBSA-N 1 0 291.178 2.150 10 0 CEAERO Cc1sc2ncnc(NC[C@H](C)C[NH3+])c2c1C ZINC000086634405 179315307 /nfs/dbraw/zinc/31/53/07/179315307.db2.gz ZQWJVWSLNSWKNO-SSDOTTSWSA-N 1 0 250.371 2.315 10 0 CEAERO CC(C)n1c2ccc(C[NH3+])cc2nc1-c1cc[nH]n1 ZINC000086641418 179315322 /nfs/dbraw/zinc/31/53/22/179315322.db2.gz DZVKINHXJLGHOT-UHFFFAOYSA-N 1 0 255.325 2.466 10 0 CEAERO CCCN1C(=O)C[C@H]([NH2+]C(CC)(CC)CC)C1=O ZINC000086642487 179316001 /nfs/dbraw/zinc/31/60/01/179316001.db2.gz MOYATZOVMSSZNC-NSHDSACASA-N 1 0 254.374 2.082 10 0 CEAERO Cc1nc(S[C@H](c2cnn(C)c2)[C@H](C)[NH3+])nc(C)c1C ZINC000086643637 179315761 /nfs/dbraw/zinc/31/57/61/179315761.db2.gz WMVXTWYHVJPQNN-ZANVPECISA-N 1 0 291.424 2.316 10 0 CEAERO COCC[NH2+]CCc1cc(F)cc(Br)c1 ZINC000086696267 179320666 /nfs/dbraw/zinc/32/06/66/179320666.db2.gz MXSGEENESDQZMX-UHFFFAOYSA-N 1 0 276.149 2.367 10 0 CEAERO Cc1cc(Br)cnc1N(C)[C@@H](C)CC(N)=[NH2+] ZINC000086707174 179322306 /nfs/dbraw/zinc/32/23/06/179322306.db2.gz UXCZTWWXUDSOOQ-QMMMGPOBSA-N 1 0 285.189 2.303 10 0 CEAERO CC(C)[NH+]1CCC(O)([C@H]2Cc3ccccc3N2)CC1 ZINC000086648491 179316531 /nfs/dbraw/zinc/31/65/31/179316531.db2.gz MCXXQONPQPJIIY-OAHLLOKOSA-N 1 0 260.381 2.259 10 0 CEAERO C[C@H]([NH2+][C@H]1CCC[C@@H]1S(C)(=O)=O)c1ccc(F)cc1 ZINC000086670914 179318090 /nfs/dbraw/zinc/31/80/90/179318090.db2.gz MQYDORZNCBTQMT-BPNCWPANSA-N 1 0 285.384 2.442 10 0 CEAERO C[C@@H]1CCC[C@@]1(C[NH3+])N1CCOc2ccccc2C1 ZINC000086677257 179319266 /nfs/dbraw/zinc/31/92/66/179319266.db2.gz QFFQRUVLQIRTLU-CJNGLKHVSA-N 1 0 260.381 2.399 10 0 CEAERO Cc1ncsc1CN(C)[C@]1(C[NH3+])CCC[C@@H]1C ZINC000086677322 179319437 /nfs/dbraw/zinc/31/94/37/179319437.db2.gz KMWBBPKOSQYWMY-GWCFXTLKSA-N 1 0 253.415 2.401 10 0 CEAERO C[C@@H]([NH2+][C@H]1CCC[C@@H]1S(C)(=O)=O)C1CCCC1 ZINC000086676144 179319498 /nfs/dbraw/zinc/31/94/98/179319498.db2.gz GWJSRPIHBDPGIU-WXHSDQCUSA-N 1 0 259.415 2.120 10 0 CEAERO C[NH2+][C@@H]1C(=O)Nc2cc(OCc3ccco3)ccc21 ZINC000103918236 185860335 /nfs/dbraw/zinc/86/03/35/185860335.db2.gz PCYWHCKYEAWDIH-ZDUSSCGKSA-N 1 0 258.277 2.071 10 0 CEAERO C[C@H]1CCC[C@@H]([N@H+](C)Cc2c[nH]c(=NN)s2)C1 ZINC000086767520 179325443 /nfs/dbraw/zinc/32/54/43/179325443.db2.gz QZWAVAKLXLGLQZ-VHSXEESVSA-N 1 0 254.403 2.439 10 0 CEAERO NN=c1[nH]cc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)s1 ZINC000086768135 179326061 /nfs/dbraw/zinc/32/60/61/179326061.db2.gz UIKVNYINVCDLFC-ONGXEEELSA-N 1 0 252.387 2.193 10 0 CEAERO CC(C)[C@H](C)[NH+]1CCC([N@@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000086776199 179328233 /nfs/dbraw/zinc/32/82/33/179328233.db2.gz DIEYUAMAUAQSHE-GXTWGEPZSA-N 1 0 268.401 2.044 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccccc1C(=O)OC ZINC000130365685 365948864 /nfs/dbraw/zinc/94/88/64/365948864.db2.gz GGHJTGXZKGNIFJ-OAHLLOKOSA-N 1 0 290.407 2.389 10 0 CEAERO CN(Cc1cnc(Cl)s1)[C@H]1CCC[N@H+](C)C1 ZINC000086776819 179329243 /nfs/dbraw/zinc/32/92/43/179329243.db2.gz QZOIMPHLHFTRRR-VIFPVBQESA-N 1 0 259.806 2.323 10 0 CEAERO C[C@@H]1CCC[C@@H](C[NH3+])N1Cc1cnc(Cl)s1 ZINC000086777890 179329259 /nfs/dbraw/zinc/32/92/59/179329259.db2.gz XYGFCAKYDWQCBR-BDAKNGLRSA-N 1 0 259.806 2.498 10 0 CEAERO CN(CC1CC[NH2+]CC1)c1ccc(Br)cn1 ZINC000086704012 179322418 /nfs/dbraw/zinc/32/24/18/179322418.db2.gz LTYXCYYEHUSNOM-UHFFFAOYSA-N 1 0 284.201 2.280 10 0 CEAERO CC(C)NC(=O)[C@H](C)OC1(C[NH3+])CCC(C(C)C)CC1 ZINC000086713605 179322705 /nfs/dbraw/zinc/32/27/05/179322705.db2.gz IBWOSNRJUJRYGM-HLIUYOAVSA-N 1 0 284.444 2.460 10 0 CEAERO C[C@@H]1CCC[C@@](C[NH3+])(OCCCn2ccnc2)C1 ZINC000086713015 179322804 /nfs/dbraw/zinc/32/28/04/179322804.db2.gz CONJNJPIQOJOQM-ZIAGYGMSSA-N 1 0 251.374 2.197 10 0 CEAERO CC(C)C1CCC(C[NH3+])(OCCC(=O)N(C)C)CC1 ZINC000086713559 179322910 /nfs/dbraw/zinc/32/29/10/179322910.db2.gz MAKRWLMMIINNSO-UHFFFAOYSA-N 1 0 270.417 2.025 10 0 CEAERO C[C@@H]1CCC[C@](C[NH3+])(OCC(=O)N2CCCCCC2)C1 ZINC000086712457 179322922 /nfs/dbraw/zinc/32/29/22/179322922.db2.gz ZVXOFRPREMJPNU-ZBFHGGJFSA-N 1 0 282.428 2.313 10 0 CEAERO CC(C)CCNC(=O)CO[C@@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000086713093 179323016 /nfs/dbraw/zinc/32/30/16/179323016.db2.gz BKRSFYUOOQVMPO-HIFRSBDPSA-N 1 0 270.417 2.073 10 0 CEAERO Cc1cnn([C@@H]2CCC[N@H+](Cc3ccncc3)C2)c1 ZINC000130409802 365952530 /nfs/dbraw/zinc/95/25/30/365952530.db2.gz LCSRACIYSIWCMK-OAHLLOKOSA-N 1 0 256.353 2.424 10 0 CEAERO CCOc1ccc(N[C@@H]2CCC[N@H+](C)CC2)cc1CO ZINC000086818803 179347528 /nfs/dbraw/zinc/34/75/28/179347528.db2.gz DSYHXUANNWCHGP-CQSZACIVSA-N 1 0 278.396 2.474 10 0 CEAERO CC(C)Oc1ncccc1CN[C@@H]1CCC[N@H+](C)CC1 ZINC000086818895 179348008 /nfs/dbraw/zinc/34/80/08/179348008.db2.gz QWUZSVHLUHJDDH-OAHLLOKOSA-N 1 0 277.412 2.443 10 0 CEAERO CC[C@H](C)n1ccc(C[C@]2(O)CCC[N@H+](C)CC2)n1 ZINC000086834219 179349794 /nfs/dbraw/zinc/34/97/94/179349794.db2.gz XXIKZOJQYUGJBC-ZFWWWQNUSA-N 1 0 265.401 2.243 10 0 CEAERO C[N@@H+]1CCC[C@@H]([NH+]2CCCC[C@@H]2CCC(=O)[O-])CC1 ZINC000086834515 179349983 /nfs/dbraw/zinc/34/99/83/179349983.db2.gz JYUBPXAPTJSUAK-ZIAGYGMSSA-N 1 0 268.401 2.190 10 0 CEAERO CCC[N@@H+]1CCC[C@@H](Nc2ccc(CC(N)=O)cc2)CC1 ZINC000086839198 179351412 /nfs/dbraw/zinc/35/14/12/179351412.db2.gz NEICPPFXKHOGJC-OAHLLOKOSA-N 1 0 289.423 2.391 10 0 CEAERO CC[N@@H+]1CCC[C@H](Nc2ccc(NC(N)=O)cc2)CC1 ZINC000086840182 179351626 /nfs/dbraw/zinc/35/16/26/179351626.db2.gz QXUSIRAHMZYSLF-LBPRGKRZSA-N 1 0 276.384 2.464 10 0 CEAERO CCN(CC)C(=O)[C@@H](C)N[C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086839885 179352195 /nfs/dbraw/zinc/35/21/95/179352195.db2.gz VWEXLMDQYPIPNS-HUUCEWRRSA-N 1 0 283.460 2.096 10 0 CEAERO CC[N@@H+]1CCC[C@@](NCCOC)(c2nccs2)CC1 ZINC000086851709 179359593 /nfs/dbraw/zinc/35/95/93/179359593.db2.gz XWOUFQODTWJUKQ-AWEZNQCLSA-N 1 0 283.441 2.080 10 0 CEAERO COC(=O)[C@@H](C(C)C)[C@@]1(O)CCC[N@@H+](C(C)C)CC1 ZINC000086868338 179360689 /nfs/dbraw/zinc/36/06/89/179360689.db2.gz YBUSPPUAYIJEJY-UKRRQHHQSA-N 1 0 271.401 2.057 10 0 CEAERO CC[NH+](CC)[C@@]1(C(=O)[O-])CCC[N@@H+](C(C)C)CC1 ZINC000086867799 179360888 /nfs/dbraw/zinc/36/08/88/179360888.db2.gz ODPJPTZSVGQBML-AWEZNQCLSA-N 1 0 256.390 2.046 10 0 CEAERO CCC[N@@H+]1CCC[C@@H]([NH+](C)[C@@H](CC)C(=O)[O-])CC1 ZINC000086869230 179361829 /nfs/dbraw/zinc/36/18/29/179361829.db2.gz ONJIEQLVERLGOF-OLZOCXBDSA-N 1 0 256.390 2.046 10 0 CEAERO CC[C@H](C)[N@H+](CC(=O)[O-])[C@@H]1CCC[NH+](C(C)C)CC1 ZINC000086868839 179362874 /nfs/dbraw/zinc/36/28/74/179362874.db2.gz RQVGKBRDOCOHGI-UONOGXRCSA-N 1 0 270.417 2.434 10 0 CEAERO c1cc2c(cc1CC[NH2+][C@H]1CCCOCC1)OCCO2 ZINC000086869584 179363691 /nfs/dbraw/zinc/36/36/91/179363691.db2.gz XKOYDVSPGQGNRZ-AWEZNQCLSA-N 1 0 277.364 2.159 10 0 CEAERO CC[NH2+][C@@H](CCCCCS(=O)(=O)CC)C1CC1 ZINC000086981773 179373994 /nfs/dbraw/zinc/37/39/94/179373994.db2.gz OHFOHGZMYSZLFN-ZDUSSCGKSA-N 1 0 261.431 2.370 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH3+])Cc1cc(C)cc(C)c1 ZINC000086979360 179372940 /nfs/dbraw/zinc/37/29/40/179372940.db2.gz QNXMFGCJLGDOKA-HNNXBMFYSA-N 1 0 283.437 2.388 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH3+])C1CCC(C)CC1 ZINC000086979249 179373442 /nfs/dbraw/zinc/37/34/42/179373442.db2.gz KSBQWCLTLZHZMG-WXRRBKDZSA-N 1 0 261.431 2.355 10 0 CEAERO C[C@@H]1CCC[C@@](CN)([N@H+](C)C2CCOCC2)CC1 ZINC000086890727 179365919 /nfs/dbraw/zinc/36/59/19/179365919.db2.gz YGKWXFAMCOSQAT-UKRRQHHQSA-N 1 0 254.418 2.395 10 0 CEAERO C[C@H]1CCC[C@](C[NH3+])(N2CCOC(C)(C)C2)CC1 ZINC000086890725 179366116 /nfs/dbraw/zinc/36/61/16/179366116.db2.gz VXFAWBSEPOKRMW-ZFWWWQNUSA-N 1 0 254.418 2.395 10 0 CEAERO COCC(=O)N1CCC([NH2+][C@H]2CCC[C@H](C)CC2)CC1 ZINC000086887305 179366123 /nfs/dbraw/zinc/36/61/23/179366123.db2.gz QRLXLDLGLLDTEO-KBPBESRZSA-N 1 0 282.428 2.182 10 0 CEAERO CCOC(=O)[C@]1(NCC[NH+](C)C)CCC[C@H](C)CC1 ZINC000086891991 179366210 /nfs/dbraw/zinc/36/62/10/179366210.db2.gz OXTPMPFXSZNCHB-ZFWWWQNUSA-N 1 0 270.417 2.040 10 0 CEAERO CCC[C@H]1CCC[C@H]([NH2+]C2CCN(CC(N)=O)CC2)CC1 ZINC000086943275 179368039 /nfs/dbraw/zinc/36/80/39/179368039.db2.gz PYLSQZXPVQAKNW-GJZGRUSLSA-N 1 0 295.471 2.275 10 0 CEAERO COC(=O)[C@]1(N2CC[NH2+]CC2)CCC[C@@H](C(C)(C)C)CC1 ZINC000086960107 179368663 /nfs/dbraw/zinc/36/86/63/179368663.db2.gz UOIRUZIFXUIVBI-PBHICJAKSA-N 1 0 296.455 2.430 10 0 CEAERO CC(C)[C@@H]1CCC[C@@](C[NH3+])(N2CCn3cnnc3C2)CC1 ZINC000086949091 179369025 /nfs/dbraw/zinc/36/90/25/179369025.db2.gz MVZSLIWQGOGAJQ-GDBMZVCRSA-N 1 0 291.443 2.028 10 0 CEAERO CCC[NH2+][C@H](Cc1nc(CCCOC)no1)C(C)C ZINC000086971759 179370796 /nfs/dbraw/zinc/37/07/96/179370796.db2.gz AIOYTUZRWADUTI-GFCCVEGCSA-N 1 0 269.389 2.215 10 0 CEAERO CCS(=O)(=O)CCC[NH2+]CC1CCC(C)CC1 ZINC000086974450 179371468 /nfs/dbraw/zinc/37/14/68/179371468.db2.gz XNCXJUJFHXRSRV-UHFFFAOYSA-N 1 0 261.431 2.227 10 0 CEAERO CCS(=O)(=O)CCCOc1ccc(C)cc1[C@@H](C)[NH3+] ZINC000086972884 179371490 /nfs/dbraw/zinc/37/14/90/179371490.db2.gz PPGXUYBWLNZKKN-GFCCVEGCSA-N 1 0 285.409 2.218 10 0 CEAERO CCS(=O)(=O)CCCOC1(C[NH3+])CCC(C)(C)CC1 ZINC000086972356 179371591 /nfs/dbraw/zinc/37/15/91/179371591.db2.gz RVGVJDVNPARVEP-UHFFFAOYSA-N 1 0 291.457 2.126 10 0 CEAERO CC(C)(O)C[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000087027251 179381986 /nfs/dbraw/zinc/38/19/86/179381986.db2.gz ZTLKRSSKZGDFBZ-OAHLLOKOSA-N 1 0 259.349 2.234 10 0 CEAERO CC(C)Cc1ccc([C@@H](O)C[NH2+]CC(C)(C)O)cc1 ZINC000087018363 179381398 /nfs/dbraw/zinc/38/13/98/179381398.db2.gz BWKUXGVGAIQBRS-HNNXBMFYSA-N 1 0 265.397 2.279 10 0 CEAERO CC[C@@](C)(O)C[NH2+][C@@H](C)C(=O)Nc1ccc(C)cc1 ZINC000087027807 179381878 /nfs/dbraw/zinc/38/18/78/179381878.db2.gz MLBCDVDRQNRMQA-SWLSCSKDSA-N 1 0 264.369 2.073 10 0 CEAERO COc1ccc([C@H](C[NH3+])NC(=O)OC(C)(C)C)cc1F ZINC000086991939 179375269 /nfs/dbraw/zinc/37/52/69/179375269.db2.gz DJISSLZFLNGBSY-NSHDSACASA-N 1 0 284.331 2.359 10 0 CEAERO COc1ccc([C@H]2[C@@H]([NH3+])CCN2C2CC2)cc1F ZINC000086995398 179376316 /nfs/dbraw/zinc/37/63/16/179376316.db2.gz IITUWGVZBVFIOS-JSGCOSHPSA-N 1 0 250.317 2.071 10 0 CEAERO C[C@@H]1C[C@@H]([NH3+])CN(c2nc(Br)cs2)C1 ZINC000087043153 179387529 /nfs/dbraw/zinc/38/75/29/179387529.db2.gz SBISYWWGGKMEJM-RNFRBKRXSA-N 1 0 276.203 2.079 10 0 CEAERO CCC(O)(CC)C[NH2+]C[C@@H](O)CO[C@H](C)c1ccccc1 ZINC000087028618 179382383 /nfs/dbraw/zinc/38/23/83/179382383.db2.gz WNNFKOKZSOEQLN-GDBMZVCRSA-N 1 0 295.423 2.266 10 0 CEAERO C[C@@](O)(Cc1ccc(F)cc1F)[C@@H]1CCC[NH2+]C1 ZINC000104120990 185898595 /nfs/dbraw/zinc/89/85/95/185898595.db2.gz NTXFSNVRQZDEOU-BXUZGUMPSA-N 1 0 255.308 2.258 10 0 CEAERO C[C@@]1(C(=O)OCc2cccc(Cl)c2)CC[NH2+]C1 ZINC000087090512 179394473 /nfs/dbraw/zinc/39/44/73/179394473.db2.gz IZBOFIPIKWIKOP-CYBMUJFWSA-N 1 0 253.729 2.383 10 0 CEAERO O=C(C[NH2+]CC1(O)CCCCCC1)Nc1ccc(F)cc1 ZINC000087089236 179393328 /nfs/dbraw/zinc/39/33/28/179393328.db2.gz IUVRJRRUGPMDPC-UHFFFAOYSA-N 1 0 294.370 2.439 10 0 CEAERO CC[C@H](C)SC[C@H](CCCS(=O)(=O)CC)[NH2+]C ZINC000087135540 179396718 /nfs/dbraw/zinc/39/67/18/179396718.db2.gz OCEJSMCOMLOGJI-RYUDHWBXSA-N 1 0 281.487 2.321 10 0 CEAERO COc1ccc(Cl)cc1C[C@@]1(O)CC[N@@H+](C2CC2)C1 ZINC000087166318 179398665 /nfs/dbraw/zinc/39/86/65/179398665.db2.gz YBNVGUFRDFMFPY-HNNXBMFYSA-N 1 0 281.783 2.490 10 0 CEAERO CC[C@@](O)(COC)Cc1[nH+]cc(C)c(OC)c1C ZINC000087183856 179399419 /nfs/dbraw/zinc/39/94/19/179399419.db2.gz RJLWPJOTTQQUFO-AWEZNQCLSA-N 1 0 253.342 2.037 10 0 CEAERO CC(C)CSCc1noc(C[C@@H]([NH3+])C(C)C)n1 ZINC000087126241 179396341 /nfs/dbraw/zinc/39/63/41/179396341.db2.gz ZWTKKKWTFPNUSZ-SNVBAGLBSA-N 1 0 257.403 2.485 10 0 CEAERO COCC[NH2+]CC[C@](C)(O)c1ccc(Cl)s1 ZINC000087337872 179414677 /nfs/dbraw/zinc/41/46/77/179414677.db2.gz VDRXDBNORSWTQB-NSHDSACASA-N 1 0 263.790 2.235 10 0 CEAERO [NH3+]C[C@H](c1ccccc1)[C@@H](O)c1ccc2c(c1)CCO2 ZINC000087349867 179415125 /nfs/dbraw/zinc/41/51/25/179415125.db2.gz UNCWWOWETVCEKD-WBVHZDCISA-N 1 0 269.344 2.397 10 0 CEAERO COc1cc([C@H](C[NH3+])[C@@H](O)CC(C)C)ccc1C ZINC000087377798 179417165 /nfs/dbraw/zinc/41/71/65/179417165.db2.gz XXFFDVLEWPMBJR-KBPBESRZSA-N 1 0 251.370 2.453 10 0 CEAERO CC(C)[C@@H](C[NH3+])NC(=O)Nc1ccccc1Cl ZINC000087403777 179420218 /nfs/dbraw/zinc/42/02/18/179420218.db2.gz RRWQNTXCMFGYPK-LLVKDONJSA-N 1 0 255.749 2.445 10 0 CEAERO Cc1nc(N2CCC[C@H]2C[NH2+]C2CC2)sc1C ZINC000087303228 179410332 /nfs/dbraw/zinc/41/03/32/179410332.db2.gz SLZITMNNTXRQKW-LBPRGKRZSA-N 1 0 251.399 2.481 10 0 CEAERO CCC[NH2+][C@@H]1CCC[C@@H]1c1nc(-c2ccn(C)n2)no1 ZINC000087426706 179424656 /nfs/dbraw/zinc/42/46/56/179424656.db2.gz HREUVMVRWFBMGI-WDEREUQCSA-N 1 0 275.356 2.106 10 0 CEAERO CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000248568065 539637053 /nfs/dbraw/zinc/63/70/53/539637053.db2.gz FIGIYSVRHJTJOA-MELADBBJSA-N 1 0 270.417 2.037 10 0 CEAERO [NH3+][C@@H]1CC[C@](O)(c2cscc2Br)C1 ZINC000087653711 179463591 /nfs/dbraw/zinc/46/35/91/179463591.db2.gz FSKGKIXZQFGOEN-HZGVNTEJSA-N 1 0 262.172 2.209 10 0 CEAERO c1oc(-c2ccc3c(c2)OCO3)nc1C[NH2+]C1CC1 ZINC000087681127 179469826 /nfs/dbraw/zinc/46/98/26/179469826.db2.gz NWHDPRPYKQYIGO-UHFFFAOYSA-N 1 0 258.277 2.322 10 0 CEAERO FC(F)(F)COCC[NH2+]C[C@@H]1CCCCS1 ZINC000087685569 179470541 /nfs/dbraw/zinc/47/05/41/179470541.db2.gz PSGKRVDHCVSEAW-VIFPVBQESA-N 1 0 257.321 2.441 10 0 CEAERO COCc1nc(C)c(C[C@H](C)C[NH2+]C(C)C)c(C)n1 ZINC000087707409 179474655 /nfs/dbraw/zinc/47/46/55/179474655.db2.gz DGDHIAOANSWQDO-NSHDSACASA-N 1 0 265.401 2.416 10 0 CEAERO COCC[NH2+]CCOCCc1ccc(OC(C)C)cc1 ZINC000087730744 179478907 /nfs/dbraw/zinc/47/89/07/179478907.db2.gz REJQXPYSPDYCHY-UHFFFAOYSA-N 1 0 281.396 2.269 10 0 CEAERO C[NH2+][C@@H]1CCCC[C@@H]1c1nc([C@@H]2CCCO2)no1 ZINC000087803600 179488059 /nfs/dbraw/zinc/48/80/59/179488059.db2.gz FTSRAZSBCAILOB-AXFHLTTASA-N 1 0 251.330 2.167 10 0 CEAERO CC[C@H](C[NH3+])C(=O)N[C@@H](C)Cc1ccccc1Cl ZINC000087517421 179438498 /nfs/dbraw/zinc/43/84/98/179438498.db2.gz HLTWBJVQHBZARG-WDEREUQCSA-N 1 0 268.788 2.372 10 0 CEAERO CCOc1ccc([C@@H](C)NC(=O)[C@H](CC)C[NH3+])cc1 ZINC000087522555 179440157 /nfs/dbraw/zinc/44/01/57/179440157.db2.gz SOSMAUBSWHVBQL-VXGBXAGGSA-N 1 0 264.369 2.247 10 0 CEAERO C[NH2+]C1(CC(=O)OC2CCOCC2)CCCCC1 ZINC000087573415 179448480 /nfs/dbraw/zinc/44/84/80/179448480.db2.gz LRDUSPJCRWYLRG-UHFFFAOYSA-N 1 0 255.358 2.021 10 0 CEAERO CCO[C@@H]1CCCN(C(=O)CC2([NH2+]C)CCCCC2)C1 ZINC000087577588 179449052 /nfs/dbraw/zinc/44/90/52/179449052.db2.gz CRZYKPPCRQIGJT-CQSZACIVSA-N 1 0 282.428 2.326 10 0 CEAERO CC(C)(C[NH3+])CCOCc1ccc2c(c1)OCO2 ZINC000087591066 179450572 /nfs/dbraw/zinc/45/05/72/179450572.db2.gz BHNFZVGRTZDBOL-UHFFFAOYSA-N 1 0 251.326 2.307 10 0 CEAERO [NH3+]CCN1CCCCC[C@@H]1c1cccc(CCO)c1 ZINC000616624489 348538764 /nfs/dbraw/zinc/53/87/64/348538764.db2.gz OWJFIJLPEQMRDI-MRXNPFEDSA-N 1 0 262.397 2.097 10 0 CEAERO c1ccc(C[N@@H+]2CCN[C@H](c3ccccn3)C2)cc1 ZINC000616631889 348540969 /nfs/dbraw/zinc/54/09/69/348540969.db2.gz HWWVTKWRCKFFRI-INIZCTEOSA-N 1 0 253.349 2.228 10 0 CEAERO CC(C)(C)[N@@H+]1CCOC[C@H]1c1cccc(CCO)c1 ZINC000616641204 348543926 /nfs/dbraw/zinc/54/39/26/348543926.db2.gz FCPGEORNKYYUFX-HNNXBMFYSA-N 1 0 263.381 2.393 10 0 CEAERO CC(C)[N@@H+]1CCCOC[C@H]1c1ccc(CCO)cc1 ZINC000616644761 348545315 /nfs/dbraw/zinc/54/53/15/348545315.db2.gz HGESLYVFAYTMLL-INIZCTEOSA-N 1 0 263.381 2.393 10 0 CEAERO Cc1c(OC2CCC2)nc(C(C)(C)C)[nH+]c1NN ZINC000087919229 179523212 /nfs/dbraw/zinc/52/32/12/179523212.db2.gz VIPPARDJGGSZHX-UHFFFAOYSA-N 1 0 250.346 2.299 10 0 CEAERO CCCc1nc(N(CC)CCC)c(C)c(NN)[nH+]1 ZINC000087919042 179523254 /nfs/dbraw/zinc/52/32/54/179523254.db2.gz FJDXPTXKOPISSA-UHFFFAOYSA-N 1 0 251.378 2.259 10 0 CEAERO c1ccc(C[N@@H+]2CCCO[C@@H](c3cccnn3)C2)cc1 ZINC000616651039 348547618 /nfs/dbraw/zinc/54/76/18/348547618.db2.gz IPRLMINCQAIVCU-MRXNPFEDSA-N 1 0 269.348 2.440 10 0 CEAERO CC(C)[N@@H+]1CCCO[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000616650164 348547948 /nfs/dbraw/zinc/54/79/48/348547948.db2.gz VTJQYJXTTUBSJT-CYBMUJFWSA-N 1 0 286.416 2.401 10 0 CEAERO CC[N@@H+]1CCCO[C@H](c2cnnc3ccccc32)C1 ZINC000616649845 348547972 /nfs/dbraw/zinc/54/79/72/348547972.db2.gz LLNZLKVFQOOYHJ-HNNXBMFYSA-N 1 0 257.337 2.413 10 0 CEAERO C[C@](C[NH3+])(CCc1ccccc1)NCC(F)(F)F ZINC000087929442 179524718 /nfs/dbraw/zinc/52/47/18/179524718.db2.gz JPDOGBQKADAZEN-GFCCVEGCSA-N 1 0 260.303 2.489 10 0 CEAERO C[C@H](Nc1ccc(OCC[NH+](C)C)cc1)C(C)(C)O ZINC000087818483 179492333 /nfs/dbraw/zinc/49/23/33/179492333.db2.gz ISSXBQXZLYHZBA-LBPRGKRZSA-N 1 0 266.385 2.198 10 0 CEAERO Nc1ccc([C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cn1 ZINC000616652756 348549223 /nfs/dbraw/zinc/54/92/23/348549223.db2.gz OQLNMOUFEKSYTH-INIZCTEOSA-N 1 0 283.375 2.458 10 0 CEAERO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](C(C)(C)C)CCCO1 ZINC000616653665 348549281 /nfs/dbraw/zinc/54/92/81/348549281.db2.gz STIDCPVSVKJMAA-LBPRGKRZSA-N 1 0 286.416 2.401 10 0 CEAERO CCC[NH2+][C@H](Cc1cccc(F)c1)[C@@H]1COCCO1 ZINC000087858583 179502995 /nfs/dbraw/zinc/50/29/95/179502995.db2.gz TWUOOVVWDMQVFI-CABCVRRESA-N 1 0 267.344 2.152 10 0 CEAERO Cc1cnc(Nc2ccnc(C3CC[NH2+]CC3)n2)s1 ZINC000616576583 348525435 /nfs/dbraw/zinc/52/54/35/348525435.db2.gz WHHKNBCZHFRJID-UHFFFAOYSA-N 1 0 275.381 2.452 10 0 CEAERO CN(Cc1ccc(Cl)s1)c1cc(NN)[nH+]cn1 ZINC000087864535 179504898 /nfs/dbraw/zinc/50/48/98/179504898.db2.gz LMECMPQTPZKOJD-UHFFFAOYSA-N 1 0 269.761 2.114 10 0 CEAERO c1n[nH]cc1[C@@H]1CCOCC[N@H+]1Cc1ccccc1 ZINC000616597216 348529174 /nfs/dbraw/zinc/52/91/74/348529174.db2.gz BWZXMSULAUTTHZ-HNNXBMFYSA-N 1 0 257.337 2.373 10 0 CEAERO CC[N@@H+]1CCCOC[C@@H]1c1cnnc2ccccc21 ZINC000616599801 348530507 /nfs/dbraw/zinc/53/05/07/348530507.db2.gz PTFXALRYVPIVLI-OAHLLOKOSA-N 1 0 257.337 2.413 10 0 CEAERO CC(C)(C)N1CC[NH2+]C[C@H]1c1cccc2nnccc21 ZINC000616602638 348530910 /nfs/dbraw/zinc/53/09/10/348530910.db2.gz AKIDKZFDCIKSBQ-HNNXBMFYSA-N 1 0 270.380 2.375 10 0 CEAERO CC(=O)Nc1ccc([C@@H]2C[NH2+]CCN2C(C)(C)C)cc1 ZINC000616603172 348531647 /nfs/dbraw/zinc/53/16/47/348531647.db2.gz FUTWKJCGOKNXOI-HNNXBMFYSA-N 1 0 275.396 2.390 10 0 CEAERO OCC[NH+]1CCC(c2cccc3ccncc32)CC1 ZINC000616609354 348533425 /nfs/dbraw/zinc/53/34/25/348533425.db2.gz SDKKTUIQCGCGIM-UHFFFAOYSA-N 1 0 256.349 2.407 10 0 CEAERO CC(=O)Nc1ccccc1[C@@H]1CCCC[N@@H+]1CCO ZINC000616610462 348534014 /nfs/dbraw/zinc/53/40/14/348534014.db2.gz JFEXNTLHJAGUPR-HNNXBMFYSA-N 1 0 262.353 2.164 10 0 CEAERO OCC[NH+]1CCC(c2ccc3ncccc3c2)CC1 ZINC000616619151 348536289 /nfs/dbraw/zinc/53/62/89/348536289.db2.gz HBXYPZYZUCYYSD-UHFFFAOYSA-N 1 0 256.349 2.407 10 0 CEAERO CCn1cc(C[C@H]([NH3+])[C@@H]2CCOc3ccccc32)cn1 ZINC000088019550 179536202 /nfs/dbraw/zinc/53/62/02/179536202.db2.gz WQBVOEBIXXWDGI-HIFRSBDPSA-N 1 0 271.364 2.339 10 0 CEAERO [NH3+][C@H](CC1CCOCC1)[C@@H]1COc2ccccc2C1 ZINC000088020573 179536276 /nfs/dbraw/zinc/53/62/76/179536276.db2.gz CYJYBKLAUSRNQI-LSDHHAIUSA-N 1 0 261.365 2.382 10 0 CEAERO CCCN(CCC[NH3+])C(=O)c1c(F)cccc1OC ZINC000088079571 179544693 /nfs/dbraw/zinc/54/46/93/179544693.db2.gz SEIIPUORRLFKKU-UHFFFAOYSA-N 1 0 268.332 2.035 10 0 CEAERO Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)C1([NH3+])CC1 ZINC000088130206 179553498 /nfs/dbraw/zinc/55/34/98/179553498.db2.gz MMNJYEQRGDQGLR-NSHDSACASA-N 1 0 262.353 2.209 10 0 CEAERO C[C@@H](C[NH3+])C[S@@](=O)c1ccc(Br)cc1 ZINC000088144594 179555982 /nfs/dbraw/zinc/55/59/82/179555982.db2.gz BNRNOXYNIWHGKN-RTHLEPHNSA-N 1 0 276.199 2.152 10 0 CEAERO CCOC(=O)c1cccc([C@@H]2COCC[N@H+](CC)C2)c1 ZINC000616661838 348553009 /nfs/dbraw/zinc/55/30/09/348553009.db2.gz SQUOVHDMHCUJNE-HNNXBMFYSA-N 1 0 277.364 2.299 10 0 CEAERO c1nnoc1[C@@H]1CC[N@H+](Cc2ccccc2)CCO1 ZINC000616664935 348554666 /nfs/dbraw/zinc/55/46/66/348554666.db2.gz XECDAQNLWJDALR-ZDUSSCGKSA-N 1 0 259.309 2.033 10 0 CEAERO COc1ccccc1C[C@H](C)N(C)C(=O)C(C)(C)C[NH3+] ZINC000088194903 179563465 /nfs/dbraw/zinc/56/34/65/179563465.db2.gz YXHIMLLUMKNYIZ-LBPRGKRZSA-N 1 0 278.396 2.070 10 0 CEAERO C[NH2+][C@@](C)(CCC[N@H+](C)CCc1ccccc1)C(=O)[O-] ZINC000088203512 179565558 /nfs/dbraw/zinc/56/55/58/179565558.db2.gz TVYAZBWKIXFJGV-INIZCTEOSA-N 1 0 278.396 2.004 10 0 CEAERO C[N@@H+]1CCc2ccccc2[C@H]1c1ccccc1C(N)=O ZINC000616679180 348558378 /nfs/dbraw/zinc/55/83/78/348558378.db2.gz LRSJNBCUTHHHCY-INIZCTEOSA-N 1 0 266.344 2.363 10 0 CEAERO CCOc1ccccc1OCC[NH2+]C[C@@H](C)COC ZINC000088400673 179593173 /nfs/dbraw/zinc/59/31/73/179593173.db2.gz LLDKHORVBABGOR-CYBMUJFWSA-N 1 0 267.369 2.336 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C(=O)Nc2ccccc2OC(F)F)C1 ZINC000088449840 179605770 /nfs/dbraw/zinc/60/57/70/179605770.db2.gz AQOZBUVVWZNBHI-NXEZZACHSA-N 1 0 284.306 2.472 10 0 CEAERO C[C@@H](CCc1ccccc1)NC(=O)[C@H]1C[NH2+]C[C@@H](C)C1 ZINC000088450631 179606018 /nfs/dbraw/zinc/60/60/18/179606018.db2.gz ASTSPKWKGKKVQD-OFQRWUPVSA-N 1 0 274.408 2.370 10 0 CEAERO CN(CC[NH+](C)C)c1nc(C(C)(C)C)c(C=O)s1 ZINC000104202181 185928775 /nfs/dbraw/zinc/92/87/75/185928775.db2.gz WJCPNZOFCWJFMU-UHFFFAOYSA-N 1 0 269.414 2.251 10 0 CEAERO CCC(CC)(C[NH3+])N1C(=O)c2cc(F)c(F)cc2C1=O ZINC000088570704 179628356 /nfs/dbraw/zinc/62/83/56/179628356.db2.gz JQIMDRZWOJIIAU-UHFFFAOYSA-N 1 0 282.290 2.078 10 0 CEAERO CCC[NH2+][C@H]1c2ccccc2C[C@H]1Cc1ncnn1C ZINC000088580609 179629008 /nfs/dbraw/zinc/62/90/08/179629008.db2.gz GTMFVOFVOFEQMA-XJKSGUPXSA-N 1 0 270.380 2.271 10 0 CEAERO CC(C)Cn1ncnc1C[C@](C)([NH3+])c1cccc(F)c1 ZINC000088606942 179636630 /nfs/dbraw/zinc/63/66/30/179636630.db2.gz RMAOWGKNWQSXIZ-HNNXBMFYSA-N 1 0 276.359 2.490 10 0 CEAERO CCC[NH2+][C@H](Cc1ncnn1CC(C)C)C[C@@H]1CCCO1 ZINC000088610600 179637837 /nfs/dbraw/zinc/63/78/37/179637837.db2.gz NQHQFDVVHGTZOM-GJZGRUSLSA-N 1 0 294.443 2.414 10 0 CEAERO CC(C)n1ncnc1C[C@H]([NH3+])Cc1ccccc1F ZINC000088611075 179638507 /nfs/dbraw/zinc/63/85/07/179638507.db2.gz KRYBCHAMAJKVNP-GFCCVEGCSA-N 1 0 262.332 2.111 10 0 CEAERO CC(C)Cn1ncnc1C[C@H]([NH3+])Cc1ccccc1F ZINC000088611077 179638741 /nfs/dbraw/zinc/63/87/41/179638741.db2.gz FKSMMIGLVTZSRE-CYBMUJFWSA-N 1 0 276.359 2.186 10 0 CEAERO CCn1ncnc1C[C@H]([NH3+])[C@@H]1CCCc2ccccc21 ZINC000088612217 179639116 /nfs/dbraw/zinc/63/91/16/179639116.db2.gz BEXNEMIEOKRZQX-CABCVRRESA-N 1 0 270.380 2.288 10 0 CEAERO CCCn1ncnc1COc1cccc(C[C@H](C)[NH3+])c1 ZINC000088617467 179640758 /nfs/dbraw/zinc/64/07/58/179640758.db2.gz IZYMYCCSKOSXLS-LBPRGKRZSA-N 1 0 274.368 2.157 10 0 CEAERO CCCn1ncnc1C[C@@](C)(CCC)C[NH2+]CCOC ZINC000088621263 179641385 /nfs/dbraw/zinc/64/13/85/179641385.db2.gz CSLYYBQPHOKVKO-OAHLLOKOSA-N 1 0 282.432 2.273 10 0 CEAERO CCCn1ncnc1C[C@@H]1CCC[C@@H]([NH2+]CC)C1 ZINC000088624048 179641623 /nfs/dbraw/zinc/64/16/23/179641623.db2.gz NNPNZIRIRVVKMG-CHWSQXEVSA-N 1 0 250.390 2.399 10 0 CEAERO CC[C@]1(C)CN(Cc2ncnn2C(C)C)C(C)(C)C[NH2+]1 ZINC000088625590 179642364 /nfs/dbraw/zinc/64/23/64/179642364.db2.gz WHOXAUUIOASXKO-OAHLLOKOSA-N 1 0 279.432 2.212 10 0 CEAERO Cc1ccc2c(N)c(C(=O)N3CC[C@@H](C[NH3+])C3)sc2c1 ZINC000088642737 179646873 /nfs/dbraw/zinc/64/68/73/179646873.db2.gz LORZUAWXMGIKLJ-JTQLQIEISA-N 1 0 289.404 2.213 10 0 CEAERO Cc1nn(C)c(N2C[C@H](C)CC[C@@H]2C)c1C[C@@H](C)[NH3+] ZINC000088712720 179655803 /nfs/dbraw/zinc/65/58/03/179655803.db2.gz WKBSKZZYOBZTCR-UTUOFQBUSA-N 1 0 264.417 2.243 10 0 CEAERO C[C@]1(C(=O)Nc2c(F)cc(F)cc2F)CCC[NH2+]1 ZINC000088721813 179658801 /nfs/dbraw/zinc/65/88/01/179658801.db2.gz WFQWSBIFLXWOTO-GFCCVEGCSA-N 1 0 258.243 2.185 10 0 CEAERO CC(C)(C)NS(=O)(=O)c1cccc(C[NH2+]C2CC2)c1 ZINC000088976352 179688455 /nfs/dbraw/zinc/68/84/55/179688455.db2.gz OTQPZZUARHOPSG-UHFFFAOYSA-N 1 0 282.409 2.015 10 0 CEAERO CCCC[C@H](C)NS(=O)(=O)Cc1cccc(C[NH2+]C)c1 ZINC000089022723 179691672 /nfs/dbraw/zinc/69/16/72/179691672.db2.gz WMMRFWGLKVRXPK-ZDUSSCGKSA-N 1 0 298.452 2.404 10 0 CEAERO CC(C)(O)c1cc(CC2([NH2+]C3CCCCC3)COC2)no1 ZINC000067897911 362930282 /nfs/dbraw/zinc/93/02/82/362930282.db2.gz CQJKZRKSHMFCDL-UHFFFAOYSA-N 1 0 294.395 2.136 10 0 CEAERO CN(CC(=O)NCCC1=CCCCC1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089112290 179707418 /nfs/dbraw/zinc/70/74/18/179707418.db2.gz RZTWGQDXTCVZKL-HZPDHXFCSA-N 1 0 293.455 2.052 10 0 CEAERO COc1cc(C(=O)N(C)[C@H]2CCC[C@H]2C[NH3+])ccc1C ZINC000089110641 179705544 /nfs/dbraw/zinc/70/55/44/179705544.db2.gz PTMXRCWORNMHJB-KBPBESRZSA-N 1 0 276.380 2.203 10 0 CEAERO CN(C(=O)c1ccc(F)c(F)c1)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089110968 179705802 /nfs/dbraw/zinc/70/58/02/179705802.db2.gz QBWRVJPNZHTABQ-GXFFZTMASA-N 1 0 268.307 2.164 10 0 CEAERO Cc1c(C[NH3+])cccc1S(=O)(=O)N1CCC[C@@H]1C(C)C ZINC000089051038 179693565 /nfs/dbraw/zinc/69/35/65/179693565.db2.gz KRVPXJHAELGSLN-CQSZACIVSA-N 1 0 296.436 2.263 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1ccncn1)c1cccnc1 ZINC000104253147 185945171 /nfs/dbraw/zinc/94/51/71/185945171.db2.gz OUJAKJRYUYUKAQ-DGCLKSJQSA-N 1 0 260.366 2.442 10 0 CEAERO C[C@H]([NH3+])Cc1c(-n2cc(Cl)cn2)nc2ccccn21 ZINC000104262109 185948235 /nfs/dbraw/zinc/94/82/35/185948235.db2.gz VWNRVOKZGYISGO-VIFPVBQESA-N 1 0 275.743 2.063 10 0 CEAERO Cc1nn(C)c(N(C)c2ccccc2)c1C[C@@H](C)[NH3+] ZINC000104265451 185948733 /nfs/dbraw/zinc/94/87/33/185948733.db2.gz VVCPCIZSCCMDEA-LLVKDONJSA-N 1 0 258.369 2.386 10 0 CEAERO C[C@H]([NH3+])Cc1c(Cl)cccc1N1CCCOCC1 ZINC000104265656 185949051 /nfs/dbraw/zinc/94/90/51/185949051.db2.gz GTQOBPUYPDAJAE-NSHDSACASA-N 1 0 268.788 2.456 10 0 CEAERO NC(=O)CSc1ccccc1N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089143092 179721612 /nfs/dbraw/zinc/72/16/12/179721612.db2.gz RFJMNDHOYBTPBG-NEPJUHHUSA-N 1 0 293.436 2.193 10 0 CEAERO NC(=O)Nc1cccc(N[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000089144173 179722301 /nfs/dbraw/zinc/72/23/01/179722301.db2.gz SOFCDYNBWPRGAO-GXFFZTMASA-N 1 0 262.357 2.107 10 0 CEAERO CCN(C(=O)c1csc(C)n1)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089114946 179708757 /nfs/dbraw/zinc/70/87/57/179708757.db2.gz FSXQNFJPPKBRAH-CMPLNLGQSA-N 1 0 267.398 2.041 10 0 CEAERO COc1cccc(C(=O)N(C)[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000089120124 179711775 /nfs/dbraw/zinc/71/17/75/179711775.db2.gz INDILGNIJTYXIB-DZGCQCFKSA-N 1 0 276.380 2.285 10 0 CEAERO COc1ccccc1C(=O)N(C)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089119507 179711780 /nfs/dbraw/zinc/71/17/80/179711780.db2.gz HETMOHFMOXIPJC-OCCSQVGLSA-N 1 0 276.380 2.285 10 0 CEAERO CC[NH2+][C@H](CCc1nn(C)c2ccccc12)COC ZINC000089175537 179741204 /nfs/dbraw/zinc/74/12/04/179741204.db2.gz QLNDOPMYKXAEBB-GFCCVEGCSA-N 1 0 261.369 2.130 10 0 CEAERO C[NH2+][C@@H](Cc1nn(C)c2ccccc12)C1CCOCC1 ZINC000089178147 179743654 /nfs/dbraw/zinc/74/36/54/179743654.db2.gz FHZXSAQMENPLCX-AWEZNQCLSA-N 1 0 273.380 2.130 10 0 CEAERO CCc1cc(CN(CCC[NH3+])c2ccc(F)cc2)n(C)n1 ZINC000089181622 179745277 /nfs/dbraw/zinc/74/52/77/179745277.db2.gz VLSDUWRNTYQLIP-UHFFFAOYSA-N 1 0 290.386 2.477 10 0 CEAERO CCc1cc(C[C@H]([NH3+])c2ccc(OC)cc2)n(C)n1 ZINC000089192411 179749212 /nfs/dbraw/zinc/74/92/12/179749212.db2.gz FREHRBIXKJIOFG-HNNXBMFYSA-N 1 0 259.353 2.234 10 0 CEAERO CCc1cc(C[C@@H]([NH3+])Cc2cc(F)cc(F)c2)n(C)n1 ZINC000089193650 179749983 /nfs/dbraw/zinc/74/99/83/179749983.db2.gz XEGJVKRYQFQUBG-ZDUSSCGKSA-N 1 0 279.334 2.373 10 0 CEAERO CCC[NH2+][C@H](CSC)Cc1cc(CC)nn1C ZINC000089194291 179750360 /nfs/dbraw/zinc/75/03/60/179750360.db2.gz VUCIUADAEMAQKX-LBPRGKRZSA-N 1 0 255.431 2.256 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCc1ccccc1Cl ZINC000089449085 539716206 /nfs/dbraw/zinc/71/62/06/539716206.db2.gz SLKAPNCNIKSBAD-CMPLNLGQSA-N 1 0 266.772 2.331 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000089448747 539716270 /nfs/dbraw/zinc/71/62/70/539716270.db2.gz ZVCZEDTXKQGBFK-JQOLXWHASA-N 1 0 276.424 2.446 10 0 CEAERO CN(Cc1ccc(F)cc1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089450881 539716403 /nfs/dbraw/zinc/71/64/03/539716403.db2.gz NWOKHZZZHUKEPX-OCCSQVGLSA-N 1 0 264.344 2.159 10 0 CEAERO Cc1nc2cc(NC(=O)[C@@H]3CCC[C@@H]3C[NH3+])ccc2[nH]1 ZINC000089453830 539716671 /nfs/dbraw/zinc/71/66/71/539716671.db2.gz HBSCYGNIFKCGPP-ZYHUDNBSSA-N 1 0 272.352 2.185 10 0 CEAERO CN(C)c1ccccc1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089453430 539716770 /nfs/dbraw/zinc/71/67/70/539716770.db2.gz BEDBUIUYZMQTHV-VXGBXAGGSA-N 1 0 261.369 2.066 10 0 CEAERO Cc1ccccc1OCCN(C)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089455720 539717195 /nfs/dbraw/zinc/71/71/95/539717195.db2.gz DPHUNBIELLHLHD-LSDHHAIUSA-N 1 0 290.407 2.207 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000089451775 539717207 /nfs/dbraw/zinc/71/72/07/539717207.db2.gz MQCRNMOCXQJLCA-WFASDCNBSA-N 1 0 284.363 2.186 10 0 CEAERO CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089457101 539717572 /nfs/dbraw/zinc/71/75/72/539717572.db2.gz CAAGPWXHGXKCCU-GOEBONIOSA-N 1 0 290.407 2.419 10 0 CEAERO CCc1cc(CN2CC(C)(C)[NH2+]C[C@H]2C(C)C)n(C)n1 ZINC000089209434 179754972 /nfs/dbraw/zinc/75/49/72/179754972.db2.gz BYVNQIIGCPFIGS-HNNXBMFYSA-N 1 0 278.444 2.191 10 0 CEAERO Cc1cc(CN2C[C@@H](C(C)C)[NH2+]CC23CCCC3)n(C)n1 ZINC000089209342 179755017 /nfs/dbraw/zinc/75/50/17/179755017.db2.gz ANILBNZFQMRODY-INIZCTEOSA-N 1 0 290.455 2.471 10 0 CEAERO CC(=O)c1cccc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000089460196 539718164 /nfs/dbraw/zinc/71/81/64/539718164.db2.gz QJLCGHQTZIOLIT-GXTWGEPZSA-N 1 0 260.337 2.203 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1c1nc(C2CCOCC2)no1 ZINC000089383714 179777049 /nfs/dbraw/zinc/77/70/49/179777049.db2.gz NDKZTTRSMPFAMG-NWDGAFQWSA-N 1 0 265.357 2.196 10 0 CEAERO CN(Cc1ccccc1)C(=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089386204 179777386 /nfs/dbraw/zinc/77/73/86/179777386.db2.gz NSXWHJPFFUYXTJ-HUUCEWRRSA-N 1 0 260.381 2.410 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1CCCC[C@@H]1C[NH3+])c1ccccn1 ZINC000089387935 179778122 /nfs/dbraw/zinc/77/81/22/179778122.db2.gz JDPBGGPNWRXVCV-JHJVBQTASA-N 1 0 261.369 2.024 10 0 CEAERO CN(Cc1cccc(O)c1)C(=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089392775 179779339 /nfs/dbraw/zinc/77/93/39/179779339.db2.gz UCEDQTUWOYXPDS-UKRRQHHQSA-N 1 0 276.380 2.116 10 0 CEAERO COC(=O)c1ccc(NC(=O)[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000089395517 179780168 /nfs/dbraw/zinc/78/01/68/179780168.db2.gz SWHCCGDJGPWYIZ-OCCSQVGLSA-N 1 0 290.363 2.177 10 0 CEAERO CC(=O)c1csc(NC(=O)[C@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000089400779 179781416 /nfs/dbraw/zinc/78/14/16/179781416.db2.gz RFINJRLDADNFEM-ZJUUUORDSA-N 1 0 281.381 2.049 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1c1nnc2ccc(Br)cn21 ZINC000089430581 179786803 /nfs/dbraw/zinc/78/68/03/179786803.db2.gz CLYOEPVLORRIKB-PSASIEDQSA-N 1 0 295.184 2.334 10 0 CEAERO CCOc1ccccc1CN(C)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089457618 179794660 /nfs/dbraw/zinc/79/46/60/179794660.db2.gz IZGCWXOCWSYXGK-ZFWWWQNUSA-N 1 0 290.407 2.419 10 0 CEAERO CCN(CCc1ccccc1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089457029 179794817 /nfs/dbraw/zinc/79/48/17/179794817.db2.gz GUWYOXBCSOTSFF-JKSUJKDBSA-N 1 0 274.408 2.453 10 0 CEAERO CCC[C@H](C)NC(=O)[C@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1CO ZINC000089530015 179810432 /nfs/dbraw/zinc/81/04/32/179810432.db2.gz SJOMMPPQTJLMJU-ZQDZILKHSA-N 1 0 284.444 2.068 10 0 CEAERO COc1cc(Cl)c(NC(=O)C[C@H]2CC[NH2+]C2)cc1OC ZINC000089742336 179857562 /nfs/dbraw/zinc/85/75/62/179857562.db2.gz VSBMCZGMCRBKDH-SECBINFHSA-N 1 0 298.770 2.295 10 0 CEAERO CC1CCC(CO)(C[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000089585087 179824779 /nfs/dbraw/zinc/82/47/79/179824779.db2.gz JHHAYEJNFKUGAF-UHFFFAOYSA-N 1 0 255.402 2.286 10 0 CEAERO CCCN(Cc1cc(C(C)=O)ccc1OC)C1C[NH2+]C1 ZINC000090293566 179952090 /nfs/dbraw/zinc/95/20/90/179952090.db2.gz QNNPDPZGJGZZIB-UHFFFAOYSA-N 1 0 276.380 2.082 10 0 CEAERO CCCN(Cc1csc(-c2ccccn2)n1)C1C[NH2+]C1 ZINC000090293902 179952129 /nfs/dbraw/zinc/95/21/29/179952129.db2.gz DZAFAQKILUSUDT-UHFFFAOYSA-N 1 0 288.420 2.389 10 0 CEAERO C[C@H](CC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)CC(C)(C)C ZINC000090321345 179957907 /nfs/dbraw/zinc/95/79/07/179957907.db2.gz OGAATHKIVAIDPB-UPJWGTAASA-N 1 0 252.402 2.127 10 0 CEAERO C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)CC1CCCCC1 ZINC000090325422 179959386 /nfs/dbraw/zinc/95/93/86/179959386.db2.gz SWMDLZBITMQYQZ-BNOWGMLFSA-N 1 0 250.386 2.023 10 0 CEAERO Cc1cccn2cc(CN3C[C@H]4C[NH2+]C[C@@H]4C3(C)C)nc12 ZINC000090338034 179966181 /nfs/dbraw/zinc/96/61/81/179966181.db2.gz RNKHGWBTQACIBV-HIFRSBDPSA-N 1 0 284.407 2.073 10 0 CEAERO CC(C)c1cc(N2C[C@H]3C[NH2+]C[C@@H]3C2(C)C)ncn1 ZINC000090338512 179966824 /nfs/dbraw/zinc/96/68/24/179966824.db2.gz BEXNKRMKJCNMFK-NEPJUHHUSA-N 1 0 260.385 2.034 10 0 CEAERO Cc1ccc(C)c(NC(=O)CSC[C@H](C)[NH3+])c1 ZINC000090343705 179969308 /nfs/dbraw/zinc/96/93/08/179969308.db2.gz GLRSEFCZXWGQJF-NSHDSACASA-N 1 0 252.383 2.322 10 0 CEAERO COC(=O)c1ccc(CS[C@H](C)CC[NH3+])cc1 ZINC000090353098 179972450 /nfs/dbraw/zinc/97/24/50/179972450.db2.gz FGPYAHMQXBONLJ-SNVBAGLBSA-N 1 0 253.367 2.444 10 0 CEAERO Cc1cccc2c1nc(CSC[C@H](C)C[NH3+])[nH]c2=O ZINC000090350873 179972723 /nfs/dbraw/zinc/97/27/23/179972723.db2.gz MFJNQIJMQUZRFQ-SECBINFHSA-N 1 0 277.393 2.060 10 0 CEAERO C[C@@H](CC[NH3+])SCC(=O)Nc1cc(C(C)(C)C)no1 ZINC000090354319 179973249 /nfs/dbraw/zinc/97/32/49/179973249.db2.gz MAUQGUUJPCUNHZ-VIFPVBQESA-N 1 0 285.413 2.381 10 0 CEAERO C[C@@H](CC[NH3+])SCC(=O)NCc1ccc(Cl)cc1 ZINC000090354231 179973363 /nfs/dbraw/zinc/97/33/63/179973363.db2.gz QFQAWZLUNCVIQI-JTQLQIEISA-N 1 0 286.828 2.427 10 0 CEAERO CC[C@@H]([NH3+])CSCC(=O)Nc1ccc(C)cc1 ZINC000090357145 179975562 /nfs/dbraw/zinc/97/55/62/179975562.db2.gz OGVKSWUVMFFFEK-LLVKDONJSA-N 1 0 252.383 2.404 10 0 CEAERO CC[C@@H]([NH3+])CSCC(=O)Nc1cc(F)cc(F)c1 ZINC000090357329 179975958 /nfs/dbraw/zinc/97/59/58/179975958.db2.gz CZILWFHNTAMLPQ-SNVBAGLBSA-N 1 0 274.336 2.374 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)N(CC)CC(CC)CC ZINC000090540583 180000314 /nfs/dbraw/zinc/00/03/14/180000314.db2.gz BUYIMMZAIDBVQD-GJZGRUSLSA-N 1 0 284.444 2.286 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)Nc1ccc2[nH]ccc2c1 ZINC000090543281 180001278 /nfs/dbraw/zinc/00/12/78/180001278.db2.gz BLOJPHHLWCGOAX-UKRRQHHQSA-N 1 0 287.363 2.121 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)NC1CCC(C)(C)CC1 ZINC000090545919 180001284 /nfs/dbraw/zinc/00/12/84/180001284.db2.gz WFJGHVXAGZBJPJ-KGLIPLIRSA-N 1 0 282.428 2.086 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000090543229 180001289 /nfs/dbraw/zinc/00/12/89/180001289.db2.gz GNIJDCDJGCXYFR-TUKIKUTGSA-N 1 0 294.370 2.018 10 0 CEAERO C[NH2+][C@H]1C(=O)Nc2cc(SCCCOC)ccc21 ZINC000104437175 186001232 /nfs/dbraw/zinc/00/12/32/186001232.db2.gz JJJIPUCJNFPJBV-GFCCVEGCSA-N 1 0 266.366 2.028 10 0 CEAERO C[C@]1(c2nc(-c3ccc(F)c(Cl)c3)no2)COC[C@@H]1[NH3+] ZINC000090573815 180007890 /nfs/dbraw/zinc/00/78/90/180007890.db2.gz ZDJISRPMUJKEGM-GWCFXTLKSA-N 1 0 297.717 2.144 10 0 CEAERO CCN(Cc1cccc(Cl)c1)C(=O)[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090592285 180009923 /nfs/dbraw/zinc/00/99/23/180009923.db2.gz QOHARZQLKBDCQS-ZFWWWQNUSA-N 1 0 296.798 2.052 10 0 CEAERO CN1CCN(C)[C@H](C[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)C1 ZINC000068803387 362948669 /nfs/dbraw/zinc/94/86/69/362948669.db2.gz STCRJGOXOYDJLK-OAGGEKHMSA-N 1 0 281.488 2.427 10 0 CEAERO Cn1ncc2c1CCC[C@@H]2[NH2+]CCc1cscn1 ZINC000104438898 186002346 /nfs/dbraw/zinc/00/23/46/186002346.db2.gz DCPDSDDHVIJFOA-LBPRGKRZSA-N 1 0 262.382 2.086 10 0 CEAERO COC(C[C@H](C[NH3+])Nc1ccc(Cl)cc1)OC ZINC000090625441 180015860 /nfs/dbraw/zinc/01/58/60/180015860.db2.gz TTZPPQAZMRLXMV-LLVKDONJSA-N 1 0 258.749 2.088 10 0 CEAERO C[C@@H](O[C@H](C)C(F)(F)F)C(=O)Nc1ccccc1C[NH3+] ZINC000090671989 180021099 /nfs/dbraw/zinc/02/10/99/180021099.db2.gz HBKHWLYFJXOWQO-RKDXNWHRSA-N 1 0 290.285 2.440 10 0 CEAERO C[NH2+][C@H]1C(=O)Nc2cc(O[C@@H](C)C(F)(F)F)ccc21 ZINC000090673320 180021505 /nfs/dbraw/zinc/02/15/05/180021505.db2.gz VQTXCWWRLRHIEY-QUBYGPBYSA-N 1 0 274.242 2.229 10 0 CEAERO CCC[C@H](C)NC(=O)[C@H](C)N1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000090693877 180026271 /nfs/dbraw/zinc/02/62/71/180026271.db2.gz OXDVUAOTVURUKU-CAOSSQGBSA-N 1 0 295.471 2.144 10 0 CEAERO [NH3+]Cc1nc(-c2nc(Cc3cccc(F)c3)no2)cs1 ZINC000090933522 180066650 /nfs/dbraw/zinc/06/66/50/180066650.db2.gz XOAPEJHGWDJFLN-UHFFFAOYSA-N 1 0 290.323 2.382 10 0 CEAERO COC[C@@H]([NH2+]C[C@H]1CCCN1CC(C)C)C(C)C ZINC000090773340 180038562 /nfs/dbraw/zinc/03/85/62/180038562.db2.gz CZIJCTIAFXAMQQ-HUUCEWRRSA-N 1 0 256.434 2.367 10 0 CEAERO CCCOc1cc(NC[C@@H]2CCCC[C@H]2C[NH3+])ncn1 ZINC000090785743 180039980 /nfs/dbraw/zinc/03/99/80/180039980.db2.gz ZLPSZSPDBFVBLG-STQMWFEESA-N 1 0 278.400 2.442 10 0 CEAERO CCC[NH2+]C[C@@H]1CCCN1c1cc(OCCC)ncn1 ZINC000090785442 180040182 /nfs/dbraw/zinc/04/01/82/180040182.db2.gz MPEWWWLHJARETJ-ZDUSSCGKSA-N 1 0 278.400 2.234 10 0 CEAERO CC(C)Oc1cc(Nc2cccc(OCC[NH3+])c2)ncn1 ZINC000090786088 180040256 /nfs/dbraw/zinc/04/02/56/180040256.db2.gz KPZPYSXDRTVTEH-UHFFFAOYSA-N 1 0 288.351 2.345 10 0 CEAERO CC(C)Oc1cc(OC[C@@H]2CCC[C@@H]2C[NH3+])ncn1 ZINC000090786357 180040514 /nfs/dbraw/zinc/04/05/14/180040514.db2.gz PRRPZBXMQPICOJ-NEPJUHHUSA-N 1 0 265.357 2.018 10 0 CEAERO CC(C)Oc1cc(Nc2ccccc2C[NH3+])ncn1 ZINC000090786632 180041004 /nfs/dbraw/zinc/04/10/04/180041004.db2.gz ROQOBHXJQLHDEJ-UHFFFAOYSA-N 1 0 258.325 2.466 10 0 CEAERO CCOc1cc(NC[C@@H]2CCCC[C@@H]2C[NH3+])nc(C)n1 ZINC000090788425 180041247 /nfs/dbraw/zinc/04/12/47/180041247.db2.gz QNYOXUMWEKDHDN-OLZOCXBDSA-N 1 0 278.400 2.361 10 0 CEAERO CCOc1cc(O[C@H]2CCCC[C@@H]2C[NH3+])nc(C)n1 ZINC000090788103 180041573 /nfs/dbraw/zinc/04/15/73/180041573.db2.gz CUGJLEYDYRWFGW-NEPJUHHUSA-N 1 0 265.357 2.080 10 0 CEAERO COc1ncnc(Nc2ccc(CC[NH3+])cc2)c1C ZINC000090789231 180041625 /nfs/dbraw/zinc/04/16/25/180041625.db2.gz VGUZGIMIWHQLQJ-UHFFFAOYSA-N 1 0 258.325 2.038 10 0 CEAERO CCOc1ncnc(N[C@H]2CCCCC[C@H]2[NH3+])c1C ZINC000090789623 180042001 /nfs/dbraw/zinc/04/20/01/180042001.db2.gz CEUJJDDQFGQZFB-NEPJUHHUSA-N 1 0 264.373 2.256 10 0 CEAERO CCOc1ncnc(N[C@@H]2CCC[N@H+](CC)C2)c1C ZINC000090790927 180042270 /nfs/dbraw/zinc/04/22/70/180042270.db2.gz OKJCCUJVAIQOCQ-GFCCVEGCSA-N 1 0 264.373 2.080 10 0 CEAERO CCOc1ncnc(NC2CC[NH+](CC)CC2)c1C ZINC000090790919 180042296 /nfs/dbraw/zinc/04/22/96/180042296.db2.gz UGUCMMPKUSWBKC-UHFFFAOYSA-N 1 0 264.373 2.080 10 0 CEAERO COc1cc(NC[C@H](C)C[NH+]2CCCCC2)nc(C)n1 ZINC000090791958 180042741 /nfs/dbraw/zinc/04/27/41/180042741.db2.gz XDKWENRYEXAFPI-LBPRGKRZSA-N 1 0 278.400 2.328 10 0 CEAERO COc1ncnc(NCC[NH+]2CCCCCC2)c1C ZINC000090790956 180042864 /nfs/dbraw/zinc/04/28/64/180042864.db2.gz ZWZDVJODBSXMII-UHFFFAOYSA-N 1 0 264.373 2.082 10 0 CEAERO CCOc1ncnc(N[C@@H](C[NH+](C)C)C(C)C)c1C ZINC000090791054 180042979 /nfs/dbraw/zinc/04/29/79/180042979.db2.gz JRIYNIPZWWHSSK-LBPRGKRZSA-N 1 0 266.389 2.182 10 0 CEAERO CC[NH2+]C1CC(Oc2c(OC)cccc2OC)C1 ZINC000090839392 180043480 /nfs/dbraw/zinc/04/34/80/180043480.db2.gz XBNCWIBCRRRIBY-UHFFFAOYSA-N 1 0 251.326 2.223 10 0 CEAERO C[C@H](C[NH2+][C@@H](C)c1c(F)cccc1F)[S@](C)=O ZINC000090843411 180044239 /nfs/dbraw/zinc/04/42/39/180044239.db2.gz WKZBQOUTLKPXLR-KSRUKNBBSA-N 1 0 261.337 2.382 10 0 CEAERO C[C@H](C[NH2+][C@@H](C)c1ccnc(Cl)c1)[S@](C)=O ZINC000090843041 180044640 /nfs/dbraw/zinc/04/46/40/180044640.db2.gz MJDKQOWOIOSAAH-YNEJBJPTSA-N 1 0 260.790 2.153 10 0 CEAERO COc1cc2nc(-c3csc(C[NH3+])n3)[nH]c2cc1OC ZINC000090932849 180066974 /nfs/dbraw/zinc/06/69/74/180066974.db2.gz AFMBCSLRCQXHGS-UHFFFAOYSA-N 1 0 290.348 2.162 10 0 CEAERO CCC1(CC)[C@H](Oc2cccc(S(C)(=O)=O)c2)C[C@@H]1[NH3+] ZINC000090862041 180046990 /nfs/dbraw/zinc/04/69/90/180046990.db2.gz KOTNDHYHUCVBOP-UONOGXRCSA-N 1 0 297.420 2.375 10 0 CEAERO CC[NH2+][C@@H]1C[C@@H](O[C@@H]2CCOC2)C12CCCCC2 ZINC000090864161 180047703 /nfs/dbraw/zinc/04/77/03/180047703.db2.gz WQOWHPQXHKNJJE-MGPQQGTHSA-N 1 0 253.386 2.493 10 0 CEAERO C[NH2+]Cc1cccc(SCCC(=O)NC(C)C)c1 ZINC000090870810 180048902 /nfs/dbraw/zinc/04/89/02/180048902.db2.gz CHAAXMCZLDYARD-UHFFFAOYSA-N 1 0 266.410 2.413 10 0 CEAERO C[NH2+]Cc1cccc(SCC(=O)NC(C)C)c1 ZINC000090870987 180049482 /nfs/dbraw/zinc/04/94/82/180049482.db2.gz AAFICYXERPUJOL-UHFFFAOYSA-N 1 0 252.383 2.023 10 0 CEAERO CC(C)N(C)C(=O)CSc1cccc(C[NH3+])c1 ZINC000090870433 180049492 /nfs/dbraw/zinc/04/94/92/180049492.db2.gz LVMVVMYFLNGZEZ-UHFFFAOYSA-N 1 0 252.383 2.104 10 0 CEAERO CCOC(=O)[C@@H](C)Sc1cccc(C[NH2+]CCOC)c1 ZINC000090873255 180050248 /nfs/dbraw/zinc/05/02/48/180050248.db2.gz ORYCTRRFRLNLSN-GFCCVEGCSA-N 1 0 297.420 2.466 10 0 CEAERO CC(C)C[C@H]1C[NH2+]CCN1C[C@@H]1Cc2ccccc2O1 ZINC000090878269 180051903 /nfs/dbraw/zinc/05/19/03/180051903.db2.gz GBVRKDUEFHMVSO-HOTGVXAUSA-N 1 0 274.408 2.310 10 0 CEAERO [NH3+]CCN(C[C@H]1Cc2cc(F)ccc2O1)C1CCCC1 ZINC000090891815 180053546 /nfs/dbraw/zinc/05/35/46/180053546.db2.gz KDPWCZSAHDCXLV-OAHLLOKOSA-N 1 0 278.371 2.333 10 0 CEAERO CCN1CCC[C@H]1C[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892004 180053834 /nfs/dbraw/zinc/05/38/34/180053834.db2.gz OTRZZIZHDBJRMX-GJZGRUSLSA-N 1 0 278.371 2.203 10 0 CEAERO CC(C)C[C@@H](CO)[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892317 180054202 /nfs/dbraw/zinc/05/42/02/180054202.db2.gz CVXRJXBIXYQJMT-KBPBESRZSA-N 1 0 267.344 2.126 10 0 CEAERO Fc1ccc2c(c1)C[C@@H](C[NH2+]CCc1ccccn1)O2 ZINC000090891937 180054207 /nfs/dbraw/zinc/05/42/07/180054207.db2.gz WLOXMQDYDPPPEJ-HNNXBMFYSA-N 1 0 272.323 2.357 10 0 CEAERO Fc1ccc2c(c1)C[C@H](C[NH2+]CCc1cccnc1)O2 ZINC000090892216 180054327 /nfs/dbraw/zinc/05/43/27/180054327.db2.gz URJMBOPSWJZREN-OAHLLOKOSA-N 1 0 272.323 2.357 10 0 CEAERO COCC[C@@H](C)[NH2+]C[C@H]1Cc2cc(F)ccc2O1 ZINC000090892915 180055139 /nfs/dbraw/zinc/05/51/39/180055139.db2.gz IMCNLXOYQOIBIL-ZWNOBZJWSA-N 1 0 253.317 2.144 10 0 CEAERO OC1(C[NH2+]C[C@H]2Cc3cc(F)ccc3O2)CCCCC1 ZINC000090892977 180055390 /nfs/dbraw/zinc/05/53/90/180055390.db2.gz GYTSQYUMPYOMMQ-CQSZACIVSA-N 1 0 279.355 2.414 10 0 CEAERO CC[C@@](C)([NH3+])COC[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893724 180055665 /nfs/dbraw/zinc/05/56/65/180055665.db2.gz FJBFCQAPVMWZJK-GXTWGEPZSA-N 1 0 253.317 2.273 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](C[NH2+]Cc1cccnc1)O2 ZINC000090897283 180057204 /nfs/dbraw/zinc/05/72/04/180057204.db2.gz KJBOHDVFDQERQJ-HNNXBMFYSA-N 1 0 254.333 2.483 10 0 CEAERO OC[C@@H]1CCC[N@@H+]1C[C@H]1Cc2cc(Cl)ccc2O1 ZINC000090901079 180059310 /nfs/dbraw/zinc/05/93/10/180059310.db2.gz UDKBYYUYLPMZDM-QWHCGFSZSA-N 1 0 267.756 2.100 10 0 CEAERO CCOc1ccc([C@H](CN2C[C@H]3CC[C@@H](C2)O3)[NH2+]C)cc1 ZINC000090906144 180060739 /nfs/dbraw/zinc/06/07/39/180060739.db2.gz WCLDBWAKNCDKIW-BBWFWOEESA-N 1 0 290.407 2.209 10 0 CEAERO Cn1c2ccc(F)cc2nc1-c1csc(CC[NH3+])n1 ZINC000090934649 180067301 /nfs/dbraw/zinc/06/73/01/180067301.db2.gz PNAVEYKXWIWBAI-UHFFFAOYSA-N 1 0 276.340 2.337 10 0 CEAERO CC[NH2+][C@@H](C)c1cnc(N2C[C@H]3CC[C@@H](C2)O3)s1 ZINC000090908143 180061907 /nfs/dbraw/zinc/06/19/07/180061907.db2.gz UNAMBXSRYKVIEP-GARJFASQSA-N 1 0 267.398 2.181 10 0 CEAERO CCC[NH2+]Cc1csc(N2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000090908325 180062141 /nfs/dbraw/zinc/06/21/41/180062141.db2.gz MHBURAYBGUPRRP-TXEJJXNPSA-N 1 0 267.398 2.010 10 0 CEAERO C[NH2+][C@@H]1CCCc2nc(N3C[C@H]4CC[C@@H](C3)O4)sc21 ZINC000090908112 180062221 /nfs/dbraw/zinc/06/22/21/180062221.db2.gz DYNORSVXSHUSRG-OUAUKWLOSA-N 1 0 279.409 2.108 10 0 CEAERO CCC[C@H](C[NH3+])[C@](C)(O)COCc1ccccc1 ZINC000669377268 539759275 /nfs/dbraw/zinc/75/92/75/539759275.db2.gz LIARZDJFKROLCL-HUUCEWRRSA-N 1 0 251.370 2.329 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+]C[C@@H]1CCC[C@H]1CO ZINC000090960899 180076430 /nfs/dbraw/zinc/07/64/30/180076430.db2.gz DNPBTHVWZFGEER-RYUDHWBXSA-N 1 0 282.409 2.205 10 0 CEAERO NC(=O)N1CCC([NH2+][C@@H]2CCCc3cc(F)ccc32)CC1 ZINC000090964295 180077426 /nfs/dbraw/zinc/07/74/26/180077426.db2.gz SSNMJNDXKJIZRZ-OAHLLOKOSA-N 1 0 291.370 2.336 10 0 CEAERO [NH3+][C@@H](c1ccc2[nH]c(=O)oc2c1)[C@H]1Cc2ccccc21 ZINC000090983888 180080010 /nfs/dbraw/zinc/08/00/10/180080010.db2.gz VXUJDTPJTQSXSD-WFASDCNBSA-N 1 0 266.300 2.461 10 0 CEAERO CC[NH2+]Cc1cn(Cc2nc(C)no2)c2ccccc12 ZINC000090995397 180082569 /nfs/dbraw/zinc/08/25/69/180082569.db2.gz MOLFVILTNDDMMT-UHFFFAOYSA-N 1 0 270.336 2.491 10 0 CEAERO CCNC(=O)Cn1cc(C[NH2+]C2CC2)c2ccccc21 ZINC000090995540 180082833 /nfs/dbraw/zinc/08/28/33/180082833.db2.gz CLLYBIOVQDPZHQ-UHFFFAOYSA-N 1 0 271.364 2.029 10 0 CEAERO CCC(CC)NC(=O)Cn1cccc1C[NH2+]C(C)C ZINC000091001093 180083394 /nfs/dbraw/zinc/08/33/94/180083394.db2.gz KRZQEEVKAQOYCW-UHFFFAOYSA-N 1 0 265.401 2.291 10 0 CEAERO C[C@H]([NH3+])Cc1ccn(Cc2cn3ccccc3n2)c1 ZINC000091005891 180084500 /nfs/dbraw/zinc/08/45/00/180084500.db2.gz KCZKVORHAKIYKO-LBPRGKRZSA-N 1 0 254.337 2.074 10 0 CEAERO CCc1nn(C)c(Cn2ccc(C[C@H](C)[NH3+])c2)c1Cl ZINC000091005920 180084873 /nfs/dbraw/zinc/08/48/73/180084873.db2.gz MXFMPMNZMBFUTR-JTQLQIEISA-N 1 0 280.803 2.375 10 0 CEAERO Cc1ncc(Cn2cc(C[NH3+])c3cccnc32)s1 ZINC000091018948 180086772 /nfs/dbraw/zinc/08/67/72/180086772.db2.gz PKWUBSZWJYPBDI-UHFFFAOYSA-N 1 0 258.350 2.308 10 0 CEAERO C[C@@H]([NH3+])Cc1cn(Cc2ccccn2)c2ncccc12 ZINC000091021834 180089007 /nfs/dbraw/zinc/08/90/07/180089007.db2.gz DLUCZVXLUGFSDN-GFCCVEGCSA-N 1 0 266.348 2.369 10 0 CEAERO [NH3+]CCc1cn(CCc2ccncc2)c2ncccc12 ZINC000091021470 180089036 /nfs/dbraw/zinc/08/90/36/180089036.db2.gz AVMPNQRQKQRNSY-UHFFFAOYSA-N 1 0 266.348 2.175 10 0 CEAERO Cc1nnc(-c2csc(C[NH3+])n2)n1-c1ccccc1 ZINC000090934586 180067716 /nfs/dbraw/zinc/06/77/16/180067716.db2.gz KSZNSUCUQTVWES-UHFFFAOYSA-N 1 0 271.349 2.158 10 0 CEAERO [NH3+]CCc1nc(C(=O)OCc2cccs2)cs1 ZINC000090939855 180068206 /nfs/dbraw/zinc/06/82/06/180068206.db2.gz JAWPDKPEGYIEGO-UHFFFAOYSA-N 1 0 268.363 2.063 10 0 CEAERO C[C@H]1CCCC[C@H]1OC(=O)c1csc(CC[NH3+])n1 ZINC000090939625 180068300 /nfs/dbraw/zinc/06/83/00/180068300.db2.gz NUCIOCCGCWUPBN-GXSJLCMTSA-N 1 0 268.382 2.380 10 0 CEAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000669383045 539765798 /nfs/dbraw/zinc/76/57/98/539765798.db2.gz VNXYOOGMTOVYAD-SDDRHHMPSA-N 1 0 254.374 2.289 10 0 CEAERO Cc1ccccc1N[C@H](C[NH3+])CC(=O)N1CCCCC1 ZINC000091325683 180135117 /nfs/dbraw/zinc/13/51/17/180135117.db2.gz KAFXWXHXNXCVNI-AWEZNQCLSA-N 1 0 275.396 2.137 10 0 CEAERO COCC[NH2+]Cc1cnn([C@@H](C)C2CC2)c1C1CC1 ZINC000091338100 180136565 /nfs/dbraw/zinc/13/65/65/180136565.db2.gz WKVGGZYKIBWMRW-NSHDSACASA-N 1 0 263.385 2.468 10 0 CEAERO CCc1c(C[NH2+]CCOC)cnn1CCC(C)C ZINC000091338226 180136602 /nfs/dbraw/zinc/13/66/02/180136602.db2.gz VXTQSJSKGGRYKB-UHFFFAOYSA-N 1 0 253.390 2.228 10 0 CEAERO Cn1ccc(-c2noc([C@@H]3CC[C@H]4CCCC[C@@H]4[NH2+]3)n2)n1 ZINC000091355531 180138699 /nfs/dbraw/zinc/13/86/99/180138699.db2.gz JVRKITPGKFONRV-MDZLAQPJSA-N 1 0 287.367 2.453 10 0 CEAERO Cn1ccc(-c2noc([C@@H]3CC[C@@H]4CCCC[C@@H]4[NH2+]3)n2)n1 ZINC000091355529 180139062 /nfs/dbraw/zinc/13/90/62/180139062.db2.gz JVRKITPGKFONRV-GVXVVHGQSA-N 1 0 287.367 2.453 10 0 CEAERO Cc1n[nH]c(C)c1NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000091359576 180140253 /nfs/dbraw/zinc/14/02/53/180140253.db2.gz DQUVZCIIKIYOGE-AGIUHOORSA-N 1 0 276.384 2.276 10 0 CEAERO CN(Cc1ccccn1)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000091359608 180140273 /nfs/dbraw/zinc/14/02/73/180140273.db2.gz CJWJQNUPCYURJE-KBMXLJTQSA-N 1 0 287.407 2.351 10 0 CEAERO O=C(Nc1ccccc1CO)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000091359860 180141044 /nfs/dbraw/zinc/14/10/44/180141044.db2.gz CUPRULQODXHVNI-INWMFGNUSA-N 1 0 288.391 2.428 10 0 CEAERO C[C@H](CO)CSc1nc2ccccc2cc1C[NH3+] ZINC000091259664 180115902 /nfs/dbraw/zinc/11/59/02/180115902.db2.gz SMMWAVPOJXRVCY-SNVBAGLBSA-N 1 0 262.378 2.414 10 0 CEAERO CCOC(=O)C[C@H](c1cncn1C1CC1)[NH+]1CCCC1 ZINC000091277771 180120135 /nfs/dbraw/zinc/12/01/35/180120135.db2.gz SYCXJELKIWXDMP-CYBMUJFWSA-N 1 0 277.368 2.308 10 0 CEAERO Cn1cncc1COc1ccc(C[NH3+])cc1Br ZINC000091278418 180121158 /nfs/dbraw/zinc/12/11/58/180121158.db2.gz KUJJFENOXDOSLY-UHFFFAOYSA-N 1 0 296.168 2.220 10 0 CEAERO Fc1cccc2c1nc(C[C@H]1C[NH2+]CCO1)n2C1CC1 ZINC000091293294 180124174 /nfs/dbraw/zinc/12/41/74/180124174.db2.gz HRVVPEXSMPMXIH-NSHDSACASA-N 1 0 275.327 2.041 10 0 CEAERO CC(=O)c1sc(N2CCC[C@H]([NH+](C)C)C2)nc1C ZINC000091432971 180153405 /nfs/dbraw/zinc/15/34/05/180153405.db2.gz HNUNEFAGTBGNSS-NSHDSACASA-N 1 0 267.398 2.185 10 0 CEAERO CC(C)[C@@H]1CC[C@H](O)[C@H]([N@@H+]2CCC[C@H](N(C)C)C2)C1 ZINC000091432525 180153579 /nfs/dbraw/zinc/15/35/79/180153579.db2.gz MSIJMZJYDJEXGE-QXSJWSMHSA-N 1 0 268.445 2.198 10 0 CEAERO CNc1ccc(C)cc1C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000091432724 180153817 /nfs/dbraw/zinc/15/38/17/180153817.db2.gz CFVOWDGMESAMGW-CYBMUJFWSA-N 1 0 275.396 2.203 10 0 CEAERO OC1CC([NH2+][C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000091431618 180153913 /nfs/dbraw/zinc/15/39/13/180153913.db2.gz SPLMGJBUOAQDBB-RTYFJBAXSA-N 1 0 298.180 2.386 10 0 CEAERO C[NH2+]Cc1cncc(OCc2ccc(Cl)cc2)n1 ZINC000091435548 180154181 /nfs/dbraw/zinc/15/41/81/180154181.db2.gz YDJUJSPJDMMJFF-UHFFFAOYSA-N 1 0 263.728 2.428 10 0 CEAERO Cc1ccccc1[C@@H]([C@H](C)N)[N@H+](C)CC1CC(O)C1 ZINC000091451473 180158774 /nfs/dbraw/zinc/15/87/74/180158774.db2.gz UBMNEJBWVUTZQB-WLIAPVHPSA-N 1 0 262.397 2.086 10 0 CEAERO [NH3+]CC1CC(Oc2c(F)c(F)c(F)c(F)c2F)C1 ZINC000091459614 180161092 /nfs/dbraw/zinc/16/10/92/180161092.db2.gz CYJIZWAQSSFMEQ-UHFFFAOYSA-N 1 0 267.197 2.498 10 0 CEAERO [NH3+][C@@H](c1noc(-c2ccncc2Cl)n1)C1CC1 ZINC000091464174 180163196 /nfs/dbraw/zinc/16/31/96/180163196.db2.gz QGUZHLJAGLBHDG-SECBINFHSA-N 1 0 250.689 2.195 10 0 CEAERO CCC(CC)n1ccc(C[C@@H](O)C[NH2+]CC(C)C)n1 ZINC000091465605 180163775 /nfs/dbraw/zinc/16/37/75/180163775.db2.gz AQOTTWOWZINNTM-OAHLLOKOSA-N 1 0 267.417 2.393 10 0 CEAERO CC[NH2+]CC[C@](C)(O)Cc1c(Cl)c(CC)nn1CC ZINC000091467527 180164265 /nfs/dbraw/zinc/16/42/65/180164265.db2.gz JODMEBYADLYUHY-AWEZNQCLSA-N 1 0 287.835 2.412 10 0 CEAERO CN(CC1CC([NH3+])C1)C(=O)c1ccc(OC(F)F)cc1 ZINC000091470865 180164907 /nfs/dbraw/zinc/16/49/07/180164907.db2.gz TVBOOGNKNVGCAS-UHFFFAOYSA-N 1 0 284.306 2.097 10 0 CEAERO CSC1(C[NH3+])CCN(c2nc3ccccc3o2)CC1 ZINC000091475543 180166172 /nfs/dbraw/zinc/16/61/72/180166172.db2.gz YCXNXZPDWPEEKU-UHFFFAOYSA-N 1 0 277.393 2.489 10 0 CEAERO Cc1ccc(C(F)(F)F)cc1N1CC[C@@H]([NH3+])C1=O ZINC000091480199 180166721 /nfs/dbraw/zinc/16/67/21/180166721.db2.gz ORUDKKCKGYLVLZ-SECBINFHSA-N 1 0 258.243 2.078 10 0 CEAERO CC1(C)C(C(=O)N[C@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1(C)C ZINC000091482512 180167198 /nfs/dbraw/zinc/16/71/98/180167198.db2.gz WWCLEHQNSQHOBI-TUAOUCFPSA-N 1 0 264.413 2.173 10 0 CEAERO CC[C@H](C)[C@H](C(=O)N1CC(C[NH3+])C1)c1ccccc1 ZINC000091488027 180167711 /nfs/dbraw/zinc/16/77/11/180167711.db2.gz KNWIEARZMMQSNX-WFASDCNBSA-N 1 0 260.381 2.233 10 0 CEAERO Cc1ccccc1[C@H](O)CC[N@@H+](C)CC1CC(O)C1 ZINC000091490992 180170045 /nfs/dbraw/zinc/17/00/45/180170045.db2.gz MPFLCNKLFGPYCN-ZBCRRDGASA-N 1 0 263.381 2.121 10 0 CEAERO CC(C)[C@H]1CCC(=O)[C@H](C[N@H+](C)CC2CC(O)C2)C1 ZINC000091490727 180170297 /nfs/dbraw/zinc/17/02/97/180170297.db2.gz FFLPFROSLFYGRA-GQKFXUNGSA-N 1 0 267.413 2.331 10 0 CEAERO CC1(C)C(C(=O)N2CCC[C@@H]2CCC[NH3+])C1(C)C ZINC000091494719 180171326 /nfs/dbraw/zinc/17/13/26/180171326.db2.gz IXIGTKPPTALJKD-NSHDSACASA-N 1 0 252.402 2.399 10 0 CEAERO Cc1cccnc1C[C@@H]([NH3+])c1ccc2c(c1)OCCO2 ZINC000091383957 180144167 /nfs/dbraw/zinc/14/41/67/180144167.db2.gz UEIKZTDUVWKDJB-CYBMUJFWSA-N 1 0 270.332 2.404 10 0 CEAERO COc1ccc(F)c(C[N@@H+]2C[C@@H](C)[C@](O)(C3CC3)C2)c1 ZINC000091390967 180144562 /nfs/dbraw/zinc/14/45/62/180144562.db2.gz JPHBVBKYQVSOBH-BZNIZROVSA-N 1 0 279.355 2.427 10 0 CEAERO CC(=O)C(C)(C)C[N@@H+]1CC[C@@H](N2CCCCC2)C1 ZINC000091402099 180147002 /nfs/dbraw/zinc/14/70/02/180147002.db2.gz HVVWJEUNBGZSKK-CQSZACIVSA-N 1 0 252.402 2.162 10 0 CEAERO CC(=O)C(C)(C)C[NH+]1CCN(C2CCCC2)CC1 ZINC000091402036 180147537 /nfs/dbraw/zinc/14/75/37/180147537.db2.gz TWUFAORCIRNTHQ-UHFFFAOYSA-N 1 0 252.402 2.162 10 0 CEAERO COc1cc2c(cc1OC)C[N@H+](CC(C)(C)[C@H](C)O)CC2 ZINC000091405705 180147762 /nfs/dbraw/zinc/14/77/62/180147762.db2.gz XHMMQRLQHPTJOJ-LBPRGKRZSA-N 1 0 293.407 2.469 10 0 CEAERO C[NH2+]Cc1cncc(N2c3ccccc3C[C@H]2C)n1 ZINC000091418629 180150169 /nfs/dbraw/zinc/15/01/69/180150169.db2.gz TYYKSWCAAWRXHV-LLVKDONJSA-N 1 0 254.337 2.279 10 0 CEAERO CC(C)C[NH2+]Cc1cncc(-n2cc(C(F)(F)F)cn2)n1 ZINC000091422558 180151142 /nfs/dbraw/zinc/15/11/42/180151142.db2.gz KLLZAFPTQWOXPV-UHFFFAOYSA-N 1 0 299.300 2.427 10 0 CEAERO CCC[NH2+]Cc1cncc(-n2cnc3ccccc32)n1 ZINC000091422370 180151205 /nfs/dbraw/zinc/15/12/05/180151205.db2.gz BFVCHGHSNLAJAQ-UHFFFAOYSA-N 1 0 267.336 2.315 10 0 CEAERO O=C(NCCc1cccs1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105064483 186039382 /nfs/dbraw/zinc/03/93/82/186039382.db2.gz MCLYRERFKFMOLU-ZDUSSCGKSA-N 1 0 293.436 2.170 10 0 CEAERO CC(C)N1C(=O)C[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C1=O ZINC000105076622 186040505 /nfs/dbraw/zinc/04/05/05/186040505.db2.gz BFZPVWXWMGNICI-MFKMUULPSA-N 1 0 278.327 2.012 10 0 CEAERO CCCN1C(=O)C[C@H]([NH2+][C@@H](C)c2ccccc2C)C1=O ZINC000105083379 186040589 /nfs/dbraw/zinc/04/05/89/186040589.db2.gz RSCFNJYLZBMHGQ-JSGCOSHPSA-N 1 0 274.364 2.183 10 0 CEAERO CC[NH2+][C@H](c1cnn(C)c1)C(C)(C)N1CCCCC1 ZINC000091565185 180193111 /nfs/dbraw/zinc/19/31/11/180193111.db2.gz VKJXVNMZIJTDKV-CQSZACIVSA-N 1 0 264.417 2.335 10 0 CEAERO C[NH2+][C@@H](c1cc(C)cnc1N)C(C)(C)N1CCCCC1 ZINC000091564926 180193239 /nfs/dbraw/zinc/19/32/39/180193239.db2.gz DKEKSLPTZAJJEW-AWEZNQCLSA-N 1 0 276.428 2.497 10 0 CEAERO CCn1nccc1[C@@H](N)C(C)(C)[NH+]1CCCCC1 ZINC000091564355 180193303 /nfs/dbraw/zinc/19/33/03/180193303.db2.gz YOXAMTFBOZCPRW-CYBMUJFWSA-N 1 0 250.390 2.167 10 0 CEAERO CCN1C(=O)C[C@@H]([NH2+][C@H](C)c2cc(C)sc2C)C1=O ZINC000105076663 186041186 /nfs/dbraw/zinc/04/11/86/186041186.db2.gz OVMGPGFVXWIRAV-BXKDBHETSA-N 1 0 280.393 2.163 10 0 CEAERO C[NH2+][C@H](Cc1ncnn1C(C)C)C(C)(C)N1CCCCC1 ZINC000091565013 180193558 /nfs/dbraw/zinc/19/35/58/180193558.db2.gz KIIWVYVDCDQWBI-CQSZACIVSA-N 1 0 293.459 2.254 10 0 CEAERO CCn1ccnc1[C@@H](NC)C(C)(C)[NH+]1CCCCC1 ZINC000091564923 180193737 /nfs/dbraw/zinc/19/37/37/180193737.db2.gz IRBCHXFXHNJZCF-CYBMUJFWSA-N 1 0 264.417 2.428 10 0 CEAERO CC1CCC([C@H](O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000091566040 180193956 /nfs/dbraw/zinc/19/39/56/180193956.db2.gz XCCUHQTZUWALAS-RUXDESIVSA-N 1 0 255.402 2.284 10 0 CEAERO CC(C)([C@H]([NH3+])c1cccc(F)c1F)N1CCOCC1 ZINC000091566367 180194025 /nfs/dbraw/zinc/19/40/25/180194025.db2.gz KISRWULERKTLHX-CYBMUJFWSA-N 1 0 270.323 2.075 10 0 CEAERO CC[NH2+][C@@H](c1ccccc1)C(C)(C)N1CCOCC1 ZINC000091566894 180194605 /nfs/dbraw/zinc/19/46/05/180194605.db2.gz JPGFKJDXMSTQID-HNNXBMFYSA-N 1 0 262.397 2.448 10 0 CEAERO Cn1nccc1[C@H](N)C(C)(C)[NH+]1CCCCCC1 ZINC000091567948 180194654 /nfs/dbraw/zinc/19/46/54/180194654.db2.gz CWUVIUOFVNNVCQ-ZDUSSCGKSA-N 1 0 250.390 2.075 10 0 CEAERO CC[C@@](C)([C@@H](N)Cc1cccc(OC)c1)[NH+](C)C ZINC000091570030 180195458 /nfs/dbraw/zinc/19/54/58/180195458.db2.gz INMRHNVKWQHRRX-GJZGRUSLSA-N 1 0 250.386 2.295 10 0 CEAERO O=C(NC(C1CC1)C1CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105101938 186041722 /nfs/dbraw/zinc/04/17/22/186041722.db2.gz CUMQRSWNMUHZIG-CQSZACIVSA-N 1 0 277.412 2.055 10 0 CEAERO CC[C@](C)([C@@H](O)Cc1ccccc1OC)[NH+](C)C ZINC000091569371 180195792 /nfs/dbraw/zinc/19/57/92/180195792.db2.gz ADOSEULHOGSZSL-LSDHHAIUSA-N 1 0 251.370 2.329 10 0 CEAERO CC[C@](C)([C@H](Cc1csc(C)n1)[NH2+]C)N(C)C ZINC000091570615 180195909 /nfs/dbraw/zinc/19/59/09/180195909.db2.gz HHXMJNURGVSMAK-QWHCGFSZSA-N 1 0 255.431 2.312 10 0 CEAERO CCC[NH2+][C@@H](Cc1cnccc1N)[C@](C)(CC)N(C)C ZINC000091571798 180196235 /nfs/dbraw/zinc/19/62/35/180196235.db2.gz HXEBXYUBJYJXQB-HOTGVXAUSA-N 1 0 278.444 2.305 10 0 CEAERO CCC[NH2+][C@H](Cc1cccnc1N)[C@](C)(CC)N(C)C ZINC000091571903 180196397 /nfs/dbraw/zinc/19/63/97/180196397.db2.gz SETHQHPQJOAKDT-ZBFHGGJFSA-N 1 0 278.444 2.305 10 0 CEAERO CCC[NH2+][C@@H](c1ccnn1C)[C@](C)(CC)N(C)C ZINC000091572026 180196656 /nfs/dbraw/zinc/19/66/56/180196656.db2.gz KLWUJKJICBRNGH-KBPBESRZSA-N 1 0 252.406 2.191 10 0 CEAERO CC[C@@](C)([C@H](Cc1cccnc1N)[NH2+]C)N1CCCC1 ZINC000091606347 180203914 /nfs/dbraw/zinc/20/39/14/180203914.db2.gz FJLBMOWLXNOODC-HOCLYGCPSA-N 1 0 276.428 2.059 10 0 CEAERO CC[C@@](C)([C@@H](N)C1CCOCC1)[NH+]1CCCCC1 ZINC000091608955 180205914 /nfs/dbraw/zinc/20/59/14/180205914.db2.gz BPRZZOZNOAWIOL-GJZGRUSLSA-N 1 0 254.418 2.395 10 0 CEAERO CC[C@@](C)([C@@H]([NH3+])c1ccc(C)cc1)N1CCOCC1 ZINC000091611655 180206147 /nfs/dbraw/zinc/20/61/47/180206147.db2.gz IDORQKXWNVHMDC-HOTGVXAUSA-N 1 0 262.397 2.496 10 0 CEAERO CC[C@](C)([C@@H](CC1CCC1)[NH2+]C)N1CCOCC1 ZINC000091612718 180207047 /nfs/dbraw/zinc/20/70/47/180207047.db2.gz IKDCNCMNVAOOLE-HUUCEWRRSA-N 1 0 254.418 2.266 10 0 CEAERO CC[NH2+][C@@H](c1cccnc1)[C@@](C)(CC)N1CCOCC1 ZINC000091612852 180207099 /nfs/dbraw/zinc/20/70/99/180207099.db2.gz NZOMTNUDTQTEFS-JKSUJKDBSA-N 1 0 277.412 2.233 10 0 CEAERO CC[NH2+][C@@H](Cc1ccncc1)[C@@](C)(CC)N1CCOCC1 ZINC000091613012 180207136 /nfs/dbraw/zinc/20/71/36/180207136.db2.gz HGDNPNWWKVGCGO-DLBZAZTESA-N 1 0 291.439 2.103 10 0 CEAERO CC[C@@](C)([C@H]([NH2+]C)c1ccoc1)N1CCOCC1 ZINC000091612629 180207461 /nfs/dbraw/zinc/20/74/61/180207461.db2.gz XPJYHSHDDHTVSS-KGLIPLIRSA-N 1 0 252.358 2.041 10 0 CEAERO CCCn1cc([C@@H](O)C(CC)(CC)[NH+](C)C)cn1 ZINC000091613748 180208071 /nfs/dbraw/zinc/20/80/71/180208071.db2.gz BFTMPYCCHWNXQV-CYBMUJFWSA-N 1 0 253.390 2.447 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)Nc1cc(C)cc(F)c1 ZINC000091513903 180176666 /nfs/dbraw/zinc/17/66/66/180176666.db2.gz XAALQTVIHPBAMF-KBPBESRZSA-N 1 0 280.343 2.087 10 0 CEAERO Cc1cc(F)cc(NS(=O)(=O)c2ccc(C[NH3+])cc2)c1 ZINC000091516504 180177691 /nfs/dbraw/zinc/17/76/91/180177691.db2.gz BUAKZWNBDBISCJ-UHFFFAOYSA-N 1 0 294.351 2.394 10 0 CEAERO COCC[NH2+]CC[C@@](C)(O)Cc1cc(C)ccc1C ZINC000091522710 180177940 /nfs/dbraw/zinc/17/79/40/180177940.db2.gz KLPYDMXZNOSXGN-MRXNPFEDSA-N 1 0 265.397 2.223 10 0 CEAERO COCC[NH2+]CC[C@](C)(O)c1cnc2ccccc2c1 ZINC000091519498 180178145 /nfs/dbraw/zinc/17/81/45/180178145.db2.gz NTXTVSSKJKCVAJ-INIZCTEOSA-N 1 0 274.364 2.068 10 0 CEAERO CC(C)n1c2ccc(F)cc2nc1C[C@@](C)(O)C[NH3+] ZINC000091522838 180178392 /nfs/dbraw/zinc/17/83/92/180178392.db2.gz KABGQPBEIOGAHS-CQSZACIVSA-N 1 0 265.332 2.009 10 0 CEAERO COCC[NH2+]CC[C@](C)(O)c1cc(C)ccc1C ZINC000091519492 180178457 /nfs/dbraw/zinc/17/84/57/180178457.db2.gz VHMBNXNZJRKFQU-HNNXBMFYSA-N 1 0 251.370 2.137 10 0 CEAERO CCn1nc(C[C@H](O)C(C)(C)[NH+](C)C)c2ccccc21 ZINC000091528149 180179563 /nfs/dbraw/zinc/17/95/63/180179563.db2.gz CSVNRFPUXWNMJA-HNNXBMFYSA-N 1 0 275.396 2.300 10 0 CEAERO C[NH2+][C@@H](c1cc(OC)ccc1OC)C(C)(C)N(C)C ZINC000091528843 180180288 /nfs/dbraw/zinc/18/02/88/180180288.db2.gz DBOKMJOQESFKOY-AWEZNQCLSA-N 1 0 266.385 2.305 10 0 CEAERO CC[NH+](CC)C(C)(C)[C@H](O)Cc1ccn(C(C)C)n1 ZINC000091530160 180180553 /nfs/dbraw/zinc/18/05/53/180180553.db2.gz OGWFLQYENPIWHQ-CQSZACIVSA-N 1 0 267.417 2.488 10 0 CEAERO CCc1nn(CC)c(C[C@@H](N)C(C)(C)[NH+](C)C)c1Cl ZINC000091528508 180180765 /nfs/dbraw/zinc/18/07/65/180180765.db2.gz MUTIVDPBUQXNBV-GFCCVEGCSA-N 1 0 286.851 2.329 10 0 CEAERO CC(C)n1ccc(C[C@H](N)C(C)(C)[NH+]2CCCC2)n1 ZINC000091534143 180181601 /nfs/dbraw/zinc/18/16/01/180181601.db2.gz WPGRXIPIKYBJCS-AWEZNQCLSA-N 1 0 264.417 2.208 10 0 CEAERO CC(C)n1ccc(C[C@@H](O)C(C)(C)[NH+]2CCCC2)n1 ZINC000091533402 180181698 /nfs/dbraw/zinc/18/16/98/180181698.db2.gz RVYHRGPFGUADCK-CQSZACIVSA-N 1 0 265.401 2.242 10 0 CEAERO CC[NH2+][C@@H](Cc1ncnn1C(C)C)C(C)(C)N1CCCC1 ZINC000091535967 180182016 /nfs/dbraw/zinc/18/20/16/180182016.db2.gz FRTNERSWAVTVDH-AWEZNQCLSA-N 1 0 293.459 2.254 10 0 CEAERO CCn1nc(C)cc1C[C@@H]([NH2+]C)C(C)(C)N1CCCC1 ZINC000091534699 180182033 /nfs/dbraw/zinc/18/20/33/180182033.db2.gz FOOXXFYHGJKPHX-OAHLLOKOSA-N 1 0 278.444 2.216 10 0 CEAERO CC[NH2+][C@H](c1c(C)ccnc1N)C(C)(C)N1CCCC1 ZINC000091535204 180182130 /nfs/dbraw/zinc/18/21/30/180182130.db2.gz HFRAZMQWJRGGSS-CQSZACIVSA-N 1 0 276.428 2.497 10 0 CEAERO CC1CCC(CCNC(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091541731 180183506 /nfs/dbraw/zinc/18/35/06/180183506.db2.gz OZWHAEYDLLUYIP-HOAMVYINSA-N 1 0 252.402 2.446 10 0 CEAERO [NH3+][C@H]1CC[C@@H](C(=O)N(Cc2ccc(F)cc2)C2CC2)C1 ZINC000091541260 180183867 /nfs/dbraw/zinc/18/38/67/180183867.db2.gz DDIBETGVIXRSIM-OCCSQVGLSA-N 1 0 276.355 2.444 10 0 CEAERO Cc1ccnc(Cl)c1NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091543892 180184993 /nfs/dbraw/zinc/18/49/93/180184993.db2.gz ZIPGLRZXRRUAIB-DTWKUNHWSA-N 1 0 253.733 2.109 10 0 CEAERO CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091548319 180188305 /nfs/dbraw/zinc/18/83/05/180188305.db2.gz LFOKHCDJLOHQEN-NWDGAFQWSA-N 1 0 282.334 2.441 10 0 CEAERO Cc1cc(CNC(=O)[C@H]2CC[C@H]([NH3+])C2)sc1C ZINC000091549145 180188449 /nfs/dbraw/zinc/18/84/49/180188449.db2.gz BCYCSRXSNPUEJA-QWRGUYRKSA-N 1 0 252.383 2.109 10 0 CEAERO CC(C)c1nn(C)c(NCCC[NH+]2CCCC2)c1N ZINC000091554882 180189458 /nfs/dbraw/zinc/18/94/58/180189458.db2.gz QZRJYLSNGLYVHS-UHFFFAOYSA-N 1 0 265.405 2.024 10 0 CEAERO CCCn1cc([C@H](O)C2([NH+](C)C)CCCC2)cn1 ZINC000091636868 180210840 /nfs/dbraw/zinc/21/08/40/180210840.db2.gz KIMSMIZEXUMGRO-ZDUSSCGKSA-N 1 0 251.374 2.201 10 0 CEAERO CCC(CC)([C@H](NC)c1cnn(C)c1)[NH+]1CCCC1 ZINC000091635196 180211381 /nfs/dbraw/zinc/21/13/81/180211381.db2.gz PYFBUKSGSPRPLF-CQSZACIVSA-N 1 0 264.417 2.335 10 0 CEAERO COc1cccc(C[C@H](O)C2([NH+](C)C)CCCC2)c1 ZINC000091636983 180211461 /nfs/dbraw/zinc/21/14/61/180211461.db2.gz LMSHJSFKFAMGDY-HNNXBMFYSA-N 1 0 263.381 2.473 10 0 CEAERO CCC(CC)([C@H](O)c1ccnn1C)[NH+]1CCCC1 ZINC000091634664 180211652 /nfs/dbraw/zinc/21/16/52/180211652.db2.gz ZRJNOZOERJQMLR-CYBMUJFWSA-N 1 0 251.374 2.108 10 0 CEAERO C[NH+](C)C1([C@@H](N)Cc2ccncc2Cl)CCCC1 ZINC000091637213 180211730 /nfs/dbraw/zinc/21/17/30/180211730.db2.gz LYPUHFJGHNDKFA-ZDUSSCGKSA-N 1 0 267.804 2.479 10 0 CEAERO C[NH2+][C@H](c1cccc(Cl)c1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721193 180239197 /nfs/dbraw/zinc/23/91/97/180239197.db2.gz SWSXVHLDMKGAAJ-QLFBSQMISA-N 1 0 280.799 2.464 10 0 CEAERO CCN[C@H](c1ccnn1C)C1([NH+]2CCCC2)CCCC1 ZINC000091641200 180213281 /nfs/dbraw/zinc/21/32/81/180213281.db2.gz XWQHHTSMDCIIFT-OAHLLOKOSA-N 1 0 276.428 2.479 10 0 CEAERO Cc1cc(C[C@@H](O)C2([NH+]3CCCC3)CCCC2)n(C)n1 ZINC000091640292 180213320 /nfs/dbraw/zinc/21/33/20/180213320.db2.gz WPAMYXPBPCEBPO-OAHLLOKOSA-N 1 0 277.412 2.041 10 0 CEAERO O[C@@H](c1cnccn1)C1([NH+]2CCCCC2)CCCC1 ZINC000091641682 180213341 /nfs/dbraw/zinc/21/33/41/180213341.db2.gz GXGRSJHEWKYQDW-AWEZNQCLSA-N 1 0 261.369 2.309 10 0 CEAERO Nc1ncccc1[C@@H](N)C1([NH+]2CCCC2)CCCC1 ZINC000091640801 180213377 /nfs/dbraw/zinc/21/33/77/180213377.db2.gz YIVAOZMKBRHQBO-CYBMUJFWSA-N 1 0 260.385 2.072 10 0 CEAERO CN[C@H](c1cnccn1)C1([NH+]2CCCC2)CCCC1 ZINC000091640876 180213424 /nfs/dbraw/zinc/21/34/24/180213424.db2.gz IAIPMKQKSWIXRO-CQSZACIVSA-N 1 0 260.385 2.146 10 0 CEAERO Cn1cc(C[C@H](N)C2([NH+]3CCCCC3)CCCC2)cn1 ZINC000091641871 180213466 /nfs/dbraw/zinc/21/34/66/180213466.db2.gz KNPQEJBANZNEKK-HNNXBMFYSA-N 1 0 276.428 2.089 10 0 CEAERO [NH3+][C@H](c1ccccc1)C1(N2CCOCC2)CCCC1 ZINC000091642952 180214184 /nfs/dbraw/zinc/21/41/84/180214184.db2.gz BYAHRPYOHVERML-OAHLLOKOSA-N 1 0 260.381 2.331 10 0 CEAERO CC[NH2+][C@@H](c1cnn(C)c1)C1(N(C)C)CCCCC1 ZINC000091647868 180215334 /nfs/dbraw/zinc/21/53/34/180215334.db2.gz MQUYEMTUFMSRRU-AWEZNQCLSA-N 1 0 264.417 2.335 10 0 CEAERO CCC[C@@H]([NH2+]CC)C1(N2CCOCC2)CCCC1 ZINC000091646244 180215535 /nfs/dbraw/zinc/21/55/35/180215535.db2.gz KXBONQIBFNTFMX-CQSZACIVSA-N 1 0 254.418 2.410 10 0 CEAERO C[C@@H]1CCC[C@](C(=O)c2cnccc2N)([NH+](C)C)C1 ZINC000091650579 180216680 /nfs/dbraw/zinc/21/66/80/180216680.db2.gz XIAMZCLSZUMHKK-ABAIWWIYSA-N 1 0 261.369 2.357 10 0 CEAERO C[NH+]1CCC(CNc2nc(Cl)ncc2F)CC1 ZINC000091655511 180216803 /nfs/dbraw/zinc/21/68/03/180216803.db2.gz VVOVFUCLNRLWQV-UHFFFAOYSA-N 1 0 258.728 2.023 10 0 CEAERO CCCn1ncnc1C[C@@H](O)C1([NH+](C)C)CCCCCC1 ZINC000091653774 180216991 /nfs/dbraw/zinc/21/69/91/180216991.db2.gz DKYUNLAGTHIGQH-CQSZACIVSA-N 1 0 294.443 2.246 10 0 CEAERO Cc1cc(C[C@H](O)[C@@]2([NH+](C)C)CCC[C@H](C)C2)n(C)n1 ZINC000091651359 180217034 /nfs/dbraw/zinc/21/70/34/180217034.db2.gz XKLLESDPUJHOTG-VBNZEHGJSA-N 1 0 279.428 2.142 10 0 CEAERO C[NH2+][C@H](c1cncnc1)[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC000091652589 180217152 /nfs/dbraw/zinc/21/71/52/180217152.db2.gz URSSWVRGXGMWTA-YUELXQCFSA-N 1 0 262.401 2.248 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CNc1nc(Cl)ncc1F ZINC000091655233 180217257 /nfs/dbraw/zinc/21/72/57/180217257.db2.gz YXZLRMBCAQNEPZ-MRVPVSSYSA-N 1 0 258.728 2.165 10 0 CEAERO C[NH2+][C@H](Cc1cccnc1N)[C@@]1(N(C)C)CCC[C@@H](C)C1 ZINC000091652679 180217324 /nfs/dbraw/zinc/21/73/24/180217324.db2.gz DVXNEDUGZGFXKK-FRFSOERESA-N 1 0 290.455 2.305 10 0 CEAERO Cc1cnc(Cl)nc1NCCC[NH+]1CCCC1 ZINC000091659051 180218587 /nfs/dbraw/zinc/21/85/87/180218587.db2.gz NABNEBQSDOXPHL-UHFFFAOYSA-N 1 0 254.765 2.336 10 0 CEAERO CCOc1ccccc1[C@@H](C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000091666721 180222279 /nfs/dbraw/zinc/22/22/79/180222279.db2.gz JZVHYXGJGJJZPB-KGLIPLIRSA-N 1 0 278.396 2.067 10 0 CEAERO Cc1nc(Cl)c(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nc1C ZINC000091677122 180225479 /nfs/dbraw/zinc/22/54/79/180225479.db2.gz ZSLDFUXCBGABPK-VXGBXAGGSA-N 1 0 296.802 2.022 10 0 CEAERO O=C(Cc1ccc2c(c1)CCC2)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091714105 180231442 /nfs/dbraw/zinc/23/14/42/180231442.db2.gz USCCGWUJCHFZND-AEFFLSMTSA-N 1 0 285.387 2.150 10 0 CEAERO CC(C)c1ccc(C[C@H]([NH3+])[C@@H]2CN(C)CCO2)cc1 ZINC000091717305 180231947 /nfs/dbraw/zinc/23/19/47/180231947.db2.gz ZWVGJPNXGFSPPR-HOTGVXAUSA-N 1 0 262.397 2.010 10 0 CEAERO CC[NH+](CC)CC[C@H](NC)c1cc(Cl)cnc1N ZINC000091716034 180231959 /nfs/dbraw/zinc/23/19/59/180231959.db2.gz YXBAWWJKZFDBFL-LBPRGKRZSA-N 1 0 270.808 2.310 10 0 CEAERO CCCN[C@H](CC[NH+](CC)CC)c1cncnc1 ZINC000091716761 180232102 /nfs/dbraw/zinc/23/21/02/180232102.db2.gz PECHRNVRGWHIQZ-CQSZACIVSA-N 1 0 250.390 2.249 10 0 CEAERO C[NH2+][C@H](c1ccc(OC(C)C)cc1)[C@H]1CN(C)CCO1 ZINC000091717606 180232658 /nfs/dbraw/zinc/23/26/58/180232658.db2.gz RZPMPTUDQWIRFW-HZPDHXFCSA-N 1 0 278.396 2.065 10 0 CEAERO CCCn1cc([C@H](CC[NH+](CC)CC)NC)cn1 ZINC000091716261 180232790 /nfs/dbraw/zinc/23/27/90/180232790.db2.gz FUQDWUOIAZTLIG-AWEZNQCLSA-N 1 0 252.406 2.286 10 0 CEAERO CCC[NH2+][C@H](CC1CCCC1)[C@H]1CN(C)CCO1 ZINC000091718965 180233237 /nfs/dbraw/zinc/23/32/37/180233237.db2.gz HPJQDBPMOPIZOR-HUUCEWRRSA-N 1 0 254.418 2.266 10 0 CEAERO CC[NH2+][C@@H](c1csc(C)c1)[C@@H]1CN(C)CCO1 ZINC000091718810 180233356 /nfs/dbraw/zinc/23/33/56/180233356.db2.gz XECCIUAVKLJUBK-STQMWFEESA-N 1 0 254.399 2.038 10 0 CEAERO CC[NH2+][C@H](Cc1cc(Cl)ccc1OC)CN(C)C ZINC000091719735 180234551 /nfs/dbraw/zinc/23/45/51/180234551.db2.gz GLRMKRCWSGQPTL-CYBMUJFWSA-N 1 0 270.804 2.431 10 0 CEAERO CCC[NH2+][C@H](CN(C)C)c1ccc(OC)c(F)c1 ZINC000091720125 180236576 /nfs/dbraw/zinc/23/65/76/180236576.db2.gz HJGKDTUSFUCTCN-CYBMUJFWSA-N 1 0 254.349 2.437 10 0 CEAERO C[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1ccc(Cl)s1 ZINC000624235088 350238699 /nfs/dbraw/zinc/23/86/99/350238699.db2.gz DFMMYHJFFSGKGD-XHNCKOQMSA-N 1 0 261.774 2.202 10 0 CEAERO O[C@H]1COCC[C@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC000624235550 350239738 /nfs/dbraw/zinc/23/97/38/350239738.db2.gz MEYTWOGPOKHWLT-BACDZXNISA-N 1 0 275.392 2.452 10 0 CEAERO CCc1ccc([C@@H]([NH3+])c2ccc3c(c2)CC(=O)N3C)o1 ZINC000091760128 180247340 /nfs/dbraw/zinc/24/73/40/180247340.db2.gz LIKKDEPENCQXGU-INIZCTEOSA-N 1 0 270.332 2.409 10 0 CEAERO CCc1ccc(C(=O)N2[C@H](C)CCC[C@@H]2C[NH3+])o1 ZINC000091762762 180248283 /nfs/dbraw/zinc/24/82/83/180248283.db2.gz UULNGINQSWAMJG-GHMZBOCLSA-N 1 0 250.342 2.184 10 0 CEAERO CCc1ccc(C(=O)N2C[C@@H](C[NH3+])CC[C@@H]2C)o1 ZINC000091762806 180248558 /nfs/dbraw/zinc/24/85/58/180248558.db2.gz BTHKXYMFXYXFKF-WDEREUQCSA-N 1 0 250.342 2.041 10 0 CEAERO CCC[C@H](C)NC(=O)Cn1cccc1[C@@H](C)[NH2+]CC ZINC000091802206 180259424 /nfs/dbraw/zinc/25/94/24/180259424.db2.gz XKGCWOQOLVFQRM-QWHCGFSZSA-N 1 0 265.401 2.463 10 0 CEAERO CCc1ccc(C(=O)N[C@@]2(C[NH3+])CCC[C@@H](C)C2)o1 ZINC000091777321 180251576 /nfs/dbraw/zinc/25/15/76/180251576.db2.gz SHGLISWPFGWGTP-ABAIWWIYSA-N 1 0 264.369 2.479 10 0 CEAERO COC(=O)c1ccc([C@@H](C)N(C)[C@@H]2CCC[N@H+](C)C2)o1 ZINC000091782211 180253851 /nfs/dbraw/zinc/25/38/51/180253851.db2.gz NLECURJNQGAOTC-VXGBXAGGSA-N 1 0 280.368 2.153 10 0 CEAERO Cc1ccc(C)n1NC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000091795685 180258147 /nfs/dbraw/zinc/25/81/47/180258147.db2.gz KMJDVPQTOBYEOP-OAHLLOKOSA-N 1 0 269.348 2.062 10 0 CEAERO COC(=O)COc1c(C)cc(C[NH2+][C@@H]2C[C@@H]2C)cc1C ZINC000105437217 186057182 /nfs/dbraw/zinc/05/71/82/186057182.db2.gz DYAMOFZFTSJLDU-IINYFYTJSA-N 1 0 277.364 2.353 10 0 CEAERO CCN(C(=O)Cc1cccc(O)c1)C1CCC([NH3+])CC1 ZINC000091850164 180272492 /nfs/dbraw/zinc/27/24/92/180272492.db2.gz GVZOHXNMWORIKY-UHFFFAOYSA-N 1 0 276.380 2.053 10 0 CEAERO CCCN(c1cc(OCC)ncn1)C1CCC([NH3+])CC1 ZINC000091852657 180272735 /nfs/dbraw/zinc/27/27/35/180272735.db2.gz HKKMJBZQUVWBSL-UHFFFAOYSA-N 1 0 278.400 2.362 10 0 CEAERO CCC[NH2+][C@@H](CC)c1ccn(CC(=O)NCCCOC)c1 ZINC000091818086 180262771 /nfs/dbraw/zinc/26/27/71/180262771.db2.gz XACXBVXPYSEAPP-HNNXBMFYSA-N 1 0 295.427 2.092 10 0 CEAERO CCC[NH2+][C@H](CC)c1ccn(CC(=O)N[C@@H](C)COC)c1 ZINC000091818321 180262776 /nfs/dbraw/zinc/26/27/76/180262776.db2.gz ITPLSAZGECMZOI-DZGCQCFKSA-N 1 0 295.427 2.090 10 0 CEAERO CCC[NH2+][C@H](CC)c1ccn(CCS(=O)(=O)CC)c1 ZINC000091817870 180263143 /nfs/dbraw/zinc/26/31/43/180263143.db2.gz LTVIAOQLWBLOJC-CQSZACIVSA-N 1 0 286.441 2.374 10 0 CEAERO CCCNC(=O)Cn1ccc([C@H](CC)[NH2+]CC)c1 ZINC000091817056 180263223 /nfs/dbraw/zinc/26/32/23/180263223.db2.gz YIEQLZNCGFKFJE-ZDUSSCGKSA-N 1 0 251.374 2.075 10 0 CEAERO CCC[C@@H]([NH3+])c1ccn(CCCS(=O)(=O)CC)c1 ZINC000091821563 180264024 /nfs/dbraw/zinc/26/40/24/180264024.db2.gz IHKGKMYNQKTZQI-CYBMUJFWSA-N 1 0 272.414 2.113 10 0 CEAERO CCC[C@@H]([NH3+])c1ccn(CC(=O)N(C)C(C)C)c1 ZINC000091821062 180264077 /nfs/dbraw/zinc/26/40/77/180264077.db2.gz GHWZXFOHYCQFHW-CYBMUJFWSA-N 1 0 251.374 2.155 10 0 CEAERO CCC[C@H]([NH3+])c1ccn(CC(=O)N(CC)CC)c1 ZINC000091820680 180264116 /nfs/dbraw/zinc/26/41/16/180264116.db2.gz YCBSWVOQRYDKOM-ZDUSSCGKSA-N 1 0 251.374 2.156 10 0 CEAERO CCCCNC(=O)Cn1ccc([C@@H]([NH3+])CCC)c1 ZINC000091820972 180264182 /nfs/dbraw/zinc/26/41/82/180264182.db2.gz WSUUOMVVPMOEPN-ZDUSSCGKSA-N 1 0 251.374 2.204 10 0 CEAERO CC[C@H](C)NC(=O)Cn1ccc([C@H]([NH3+])C(C)C)c1 ZINC000091825601 180264594 /nfs/dbraw/zinc/26/45/94/180264594.db2.gz HBDXKYAFUPFZDS-SMDDNHRTSA-N 1 0 251.374 2.059 10 0 CEAERO CCCCNC(=O)Cn1ccc([C@H]([NH2+]C)C(C)C)c1 ZINC000091826845 180265143 /nfs/dbraw/zinc/26/51/43/180265143.db2.gz RMLNAABWODGPHC-OAHLLOKOSA-N 1 0 265.401 2.321 10 0 CEAERO COc1ccc(C)cc1C(=O)N(C)C1CCC([NH3+])CC1 ZINC000091845112 180270117 /nfs/dbraw/zinc/27/01/17/180270117.db2.gz HMHHTBSTZNHXFX-UHFFFAOYSA-N 1 0 276.380 2.346 10 0 CEAERO CCc1nsc(N(CC)C2CCC([NH3+])CC2)n1 ZINC000091851174 180271763 /nfs/dbraw/zinc/27/17/63/180271763.db2.gz WLBUGQGAGGHASJ-UHFFFAOYSA-N 1 0 254.403 2.197 10 0 CEAERO O[C@H](C[NH2+]C[C@@H]1Cc2ccccc21)COCc1ccco1 ZINC000090992456 539791916 /nfs/dbraw/zinc/79/19/16/539791916.db2.gz DZDRWCFMOKLEQP-LSDHHAIUSA-N 1 0 287.359 2.087 10 0 CEAERO COCC[NH2+]Cc1ncoc1-c1ccc(F)cc1F ZINC000091959477 180292339 /nfs/dbraw/zinc/29/23/39/180292339.db2.gz JCQDDRSTFBMIIK-UHFFFAOYSA-N 1 0 268.263 2.356 10 0 CEAERO CCCN(C(=O)N(C)C)C1(C[NH3+])CCCCCC1 ZINC000091960688 180292757 /nfs/dbraw/zinc/29/27/57/180292757.db2.gz UCFRHZRGCWSQIV-UHFFFAOYSA-N 1 0 255.406 2.432 10 0 CEAERO [NH3+]Cc1ccc(N(C(=O)N2CCCC2)C2CC2)cc1 ZINC000091963026 180292976 /nfs/dbraw/zinc/29/29/76/180292976.db2.gz PEINACFWPIJPLF-UHFFFAOYSA-N 1 0 259.353 2.330 10 0 CEAERO C[C@H]1CCC[C@](C[NH3+])(N(C)C(=O)N2CCCC2)C1 ZINC000091963101 180293397 /nfs/dbraw/zinc/29/33/97/180293397.db2.gz HJZASERWKODHAI-JSGCOSHPSA-N 1 0 253.390 2.042 10 0 CEAERO CC[NH2+]C1CCC(N(C)S(=O)(=O)CC(C)(C)C)CC1 ZINC000091869885 180276989 /nfs/dbraw/zinc/27/69/89/180276989.db2.gz VEVLZKJTZHXZNY-UHFFFAOYSA-N 1 0 290.473 2.215 10 0 CEAERO CCC[NH2+]C1CCC(N(C)S(=O)(=O)C(C)(C)C)CC1 ZINC000091869857 180277149 /nfs/dbraw/zinc/27/71/49/180277149.db2.gz ZDEMZHZKWCRNKA-UHFFFAOYSA-N 1 0 290.473 2.357 10 0 CEAERO CCn1cc(Cl)cc1C(=O)NC1CCC([NH2+]C)CC1 ZINC000091871555 180277278 /nfs/dbraw/zinc/27/72/78/180277278.db2.gz DHNQWUWPYNHIJG-UHFFFAOYSA-N 1 0 283.803 2.422 10 0 CEAERO [NH3+]C[C@@]1(C2(O)CCCCC2)COc2ccccc2C1 ZINC000091904604 180282909 /nfs/dbraw/zinc/28/29/09/180282909.db2.gz ORRGGLFKMPEXOB-OAHLLOKOSA-N 1 0 261.365 2.262 10 0 CEAERO CC(C)C1CCC(O)(C2(C[NH3+])CCOCC2)CC1 ZINC000091907132 180283747 /nfs/dbraw/zinc/28/37/47/180283747.db2.gz NNCDMXHNYYTIQI-UHFFFAOYSA-N 1 0 255.402 2.319 10 0 CEAERO CC[C@@](C)(C[NH3+])[C@](C)(O)Cc1ccc(OC)cc1 ZINC000091907656 180283778 /nfs/dbraw/zinc/28/37/78/180283778.db2.gz AKSWMXGMMDSKGM-LSDHHAIUSA-N 1 0 251.370 2.364 10 0 CEAERO CC[C@@](O)(C(C)C)[C@]1(C[NH3+])CCOc2ccccc21 ZINC000091906646 180283811 /nfs/dbraw/zinc/28/38/11/180283811.db2.gz FZERNXJNHUVXAV-JKSUJKDBSA-N 1 0 263.381 2.463 10 0 CEAERO CC(C)[NH2+]C[C@H]1CCCN(C(=O)N2CCCCC2)C1 ZINC000091969458 180294747 /nfs/dbraw/zinc/29/47/47/180294747.db2.gz UBMLKUSYXLCCBL-CQSZACIVSA-N 1 0 267.417 2.302 10 0 CEAERO [NH3+]CC1([C@H](O)c2ccc3c(c2)OCCO3)CCCC1 ZINC000091909276 180284744 /nfs/dbraw/zinc/28/47/44/180284744.db2.gz XSLSLFBASOEIFR-CQSZACIVSA-N 1 0 263.337 2.010 10 0 CEAERO [NH3+]C[C@]1([C@H](O)c2ccccc2C(F)(F)F)CCOC1 ZINC000091910862 180285090 /nfs/dbraw/zinc/28/50/90/180285090.db2.gz UJEPEQCSVWOQTC-VXGBXAGGSA-N 1 0 275.270 2.104 10 0 CEAERO CC[C@](C)(C[NH3+])[C@@H](O)c1cccc(OC)c1OC ZINC000091910466 180285174 /nfs/dbraw/zinc/28/51/74/180285174.db2.gz MLAAPFQYWAEMOM-UONOGXRCSA-N 1 0 253.342 2.112 10 0 CEAERO CCc1ccc([C@H](O)[C@]2(C[NH3+])COc3ccccc3C2)o1 ZINC000091912449 180285273 /nfs/dbraw/zinc/28/52/73/180285273.db2.gz HCKUZGFOAPHYAZ-DLBZAZTESA-N 1 0 287.359 2.456 10 0 CEAERO CCCC1CCC(C[NH3+])([C@H](O)c2ccncn2)CC1 ZINC000091918330 180286572 /nfs/dbraw/zinc/28/65/72/180286572.db2.gz HVHYRYHFDAVNML-HNFVBEJKSA-N 1 0 263.385 2.445 10 0 CEAERO CC[C@H]1C[C@](O)(C2(C[NH3+])Cc3ccccc3C2)CCO1 ZINC000091918657 180286574 /nfs/dbraw/zinc/28/65/74/180286574.db2.gz FMVFDVDNMBFPSC-RDJZCZTQSA-N 1 0 275.392 2.050 10 0 CEAERO CCC1CCC(C[NH3+])([C@]2(O)CCO[C@@H](C)C2)CC1 ZINC000091918511 180286929 /nfs/dbraw/zinc/28/69/29/180286929.db2.gz BYFAZGNNAPIKKV-PPWQZUPISA-N 1 0 255.402 2.462 10 0 CEAERO C[C@@H]1CCC[C@@](C[NH3+])(NC(=O)N2CCCCC2)C1 ZINC000091969819 180295087 /nfs/dbraw/zinc/29/50/87/180295087.db2.gz MLKUQRRTKVMRPQ-TZMCWYRMSA-N 1 0 253.390 2.090 10 0 CEAERO CCCC1CCC(C[NH3+])([C@](C)(O)C(OC)OC)CC1 ZINC000091925877 180287421 /nfs/dbraw/zinc/28/74/21/180287421.db2.gz AOGBHCPQTGNURL-HNFVBEJKSA-N 1 0 273.417 2.292 10 0 CEAERO CCN1CCO[C@H](COc2ccc(CC[C@@H](C)[NH3+])cc2)C1 ZINC000092050965 180311871 /nfs/dbraw/zinc/31/18/71/180311871.db2.gz YGITWIMOLNRMAW-PBHICJAKSA-N 1 0 292.423 2.066 10 0 CEAERO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)N1CCCCCC1 ZINC000091971547 180295723 /nfs/dbraw/zinc/29/57/23/180295723.db2.gz AMZRHHCSHFXCSV-CYBMUJFWSA-N 1 0 265.401 2.247 10 0 CEAERO C[C@@H]1CCCN(C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000091990999 180299796 /nfs/dbraw/zinc/29/97/96/180299796.db2.gz HOSMAQRQXSLZHM-ILXRZTDVSA-N 1 0 279.428 2.445 10 0 CEAERO C[C@@H]1CCCN(C(=O)Nc2ccc(OCC(N)=[NH2+])cc2)C1 ZINC000091993272 180300296 /nfs/dbraw/zinc/30/02/96/180300296.db2.gz ATAGDSUQHHBECL-LLVKDONJSA-N 1 0 290.367 2.265 10 0 CEAERO Cc1ccc(NC(=O)COc2ccc(C)nc2C[NH3+])cc1 ZINC000091993863 180300917 /nfs/dbraw/zinc/30/09/17/180300917.db2.gz MDQMQYPJDCMBKQ-UHFFFAOYSA-N 1 0 285.347 2.175 10 0 CEAERO Cc1ccc(OC[C@H]2Cc3cc(F)ccc3O2)c(C[NH3+])n1 ZINC000091994013 180301494 /nfs/dbraw/zinc/30/14/94/180301494.db2.gz MOBGNCDQOXJPMT-CYBMUJFWSA-N 1 0 288.322 2.370 10 0 CEAERO CCC[NH2+]Cc1nc(C)ccc1O[C@H](C)C(=O)OCC ZINC000091995208 180302010 /nfs/dbraw/zinc/30/20/10/180302010.db2.gz XHYRHOOWAREIIJ-GFCCVEGCSA-N 1 0 280.368 2.220 10 0 CEAERO Cc1ccc(OC[C@H]2CCCCO2)c(C[C@H](C)[NH3+])n1 ZINC000092000145 180303461 /nfs/dbraw/zinc/30/34/61/180303461.db2.gz XSGLHIOGMPMHDE-WCQYABFASA-N 1 0 264.369 2.228 10 0 CEAERO Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1CO ZINC000092002008 180305002 /nfs/dbraw/zinc/30/50/02/180305002.db2.gz UGCAUWGBMAXHPV-ZBFHGGJFSA-N 1 0 260.381 2.160 10 0 CEAERO CCOC(=O)N1CCC(Nc2cc(C)c(N)c[nH+]2)CC1 ZINC000092026557 180308797 /nfs/dbraw/zinc/30/87/97/180308797.db2.gz IXJXJYOMVBVVHF-UHFFFAOYSA-N 1 0 278.356 2.005 10 0 CEAERO C[C@H]1CN(C(=O)CCC2CCC([NH3+])CC2)C[C@H]1C ZINC000092112979 180327067 /nfs/dbraw/zinc/32/70/67/180327067.db2.gz MRGBWZIWPBCXJG-VTXSZYRJSA-N 1 0 252.402 2.399 10 0 CEAERO Cc1ncc(C[NH2+]C(C)(C)CO)n1-c1ccccc1 ZINC000092128748 180329413 /nfs/dbraw/zinc/32/94/13/180329413.db2.gz BOYUNKPFBCQGCL-UHFFFAOYSA-N 1 0 259.353 2.041 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000092136393 180333050 /nfs/dbraw/zinc/33/30/50/180333050.db2.gz HUBXMLQMABIXHU-MRVPVSSYSA-N 1 0 255.387 2.235 10 0 CEAERO COC(C)(C)c1nc(C)c(C[C@@H](C)C[NH3+])c(C)n1 ZINC000092141090 180333493 /nfs/dbraw/zinc/33/34/93/180333493.db2.gz HCCGWOAOWAZXGM-SECBINFHSA-N 1 0 251.374 2.112 10 0 CEAERO CC[NH2+][C@H](Cc1c(Cl)c(C)nn1C)C(C)(C)OC ZINC000092139315 180333504 /nfs/dbraw/zinc/33/35/04/180333504.db2.gz PSCWUABJITWDNJ-LLVKDONJSA-N 1 0 273.808 2.328 10 0 CEAERO CCC[NH2+][C@@H](C)CCc1nc(C(C)(C)OC)no1 ZINC000092141452 180334188 /nfs/dbraw/zinc/33/41/88/180334188.db2.gz JFWNAGJDHGPONW-JTQLQIEISA-N 1 0 255.362 2.272 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc2c(c1)CCO2 ZINC000105701495 186068959 /nfs/dbraw/zinc/06/89/59/186068959.db2.gz PKDZNVJCOUGVNA-CZUORRHYSA-N 1 0 272.392 2.290 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)Nc2ccc(F)cc2Br)C1 ZINC000092201800 180342678 /nfs/dbraw/zinc/34/26/78/180342678.db2.gz HLJIDRTXMCOKLR-CBAPKCEASA-N 1 0 299.143 2.430 10 0 CEAERO CC(C)Oc1ccc(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)cc1 ZINC000092201826 180342864 /nfs/dbraw/zinc/34/28/64/180342864.db2.gz VZWCBWGGERGXEX-NWDGAFQWSA-N 1 0 260.337 2.316 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)Nc2ccc(F)cc2Cl)C1 ZINC000092201862 180342964 /nfs/dbraw/zinc/34/29/64/180342964.db2.gz FRLDATPYZQXDSI-IONNQARKSA-N 1 0 254.692 2.321 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)Nc2cnc3ccccc3c2)C1 ZINC000092202911 180343263 /nfs/dbraw/zinc/34/32/63/180343263.db2.gz LNFJOOGKXNBRPB-NWDGAFQWSA-N 1 0 253.305 2.077 10 0 CEAERO CCCOc1cccc(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)c1 ZINC000092202991 180343304 /nfs/dbraw/zinc/34/33/04/180343304.db2.gz WRBVJQYQDBFXQM-NWDGAFQWSA-N 1 0 260.337 2.317 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)Nc2ccc(Cl)cc2F)C1 ZINC000092203226 180343315 /nfs/dbraw/zinc/34/33/15/180343315.db2.gz NOQKVBPNMXYGDF-APPZFPTMSA-N 1 0 254.692 2.321 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)NC2CCC(C(F)(F)F)CC2)C1 ZINC000092203766 180343497 /nfs/dbraw/zinc/34/34/97/180343497.db2.gz ILVWZMGOBMLGTO-BZCXBAJXSA-N 1 0 276.302 2.127 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)Nc2ccc(N3CCCC3)cc2)C1 ZINC000092203813 180343672 /nfs/dbraw/zinc/34/36/72/180343672.db2.gz WQHMHRNGTSOPJV-QWHCGFSZSA-N 1 0 271.364 2.129 10 0 CEAERO CC(C)c1csc(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)n1 ZINC000092206933 180344260 /nfs/dbraw/zinc/34/42/60/180344260.db2.gz ZHXPNVWATWMPPZ-DTWKUNHWSA-N 1 0 251.355 2.108 10 0 CEAERO CC(C)(C)c1csc(NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)n1 ZINC000092206938 180344302 /nfs/dbraw/zinc/34/43/02/180344302.db2.gz UNJOVWWUFUUKHB-RKDXNWHRSA-N 1 0 265.382 2.283 10 0 CEAERO CCN(Cc1cccc(C)c1)C(=O)[C@H]1C=C[C@H]([NH3+])C1 ZINC000092204935 180344311 /nfs/dbraw/zinc/34/43/11/180344311.db2.gz QVPRBFYMKOAORP-GJZGRUSLSA-N 1 0 258.365 2.247 10 0 CEAERO C[C@@H]1CN(C[C@@H]2COc3ccccc32)[C@H](C2CC2)C[NH2+]1 ZINC000092307285 180360127 /nfs/dbraw/zinc/36/01/27/180360127.db2.gz WTSWJPDHBSNEMQ-XPKDYRNWSA-N 1 0 272.392 2.235 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)N2CCCCc3ccccc32)C1 ZINC000092208451 180344629 /nfs/dbraw/zinc/34/46/29/180344629.db2.gz QRRAPHFKBSCXJB-KBPBESRZSA-N 1 0 256.349 2.259 10 0 CEAERO CSc1ccc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000092232436 180349018 /nfs/dbraw/zinc/34/90/18/180349018.db2.gz YRPZWUQMIRHLDG-YPMHNXCESA-N 1 0 264.394 2.266 10 0 CEAERO CC[NH2+]Cc1cnn(C[C@H]2COc3ccccc32)c1 ZINC000092306697 180360812 /nfs/dbraw/zinc/36/08/12/180360812.db2.gz DGOQFFHKXLBECP-ZDUSSCGKSA-N 1 0 257.337 2.169 10 0 CEAERO CCN(C(=O)[C@H]1CSc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000092239403 180351014 /nfs/dbraw/zinc/35/10/14/180351014.db2.gz SSQFJASMEUYYQB-YPMHNXCESA-N 1 0 276.405 2.086 10 0 CEAERO C[C@@H]([NH3+])Cc1noc([C@H]2CSc3ccccc32)n1 ZINC000092240244 180351742 /nfs/dbraw/zinc/35/17/42/180351742.db2.gz NNTVDDGHZCUWPP-SCZZXKLOSA-N 1 0 261.350 2.197 10 0 CEAERO Nc1cc(N)[nH+]c(SC[C@@H]2Cc3ccccc3S2)n1 ZINC000092262653 180355054 /nfs/dbraw/zinc/35/50/54/180355054.db2.gz AKERDMLSFVYEQY-VIFPVBQESA-N 1 0 290.417 2.450 10 0 CEAERO C[NH2+][C@@H]1CCCN(C[C@@H]2Cc3ccccc3S2)C1 ZINC000092267712 180355614 /nfs/dbraw/zinc/35/56/14/180355614.db2.gz UAPKYUJKYQIUBP-KGLIPLIRSA-N 1 0 262.422 2.387 10 0 CEAERO CCCN(C[C@@H]1Cc2ccccc2S1)C1C[NH2+]C1 ZINC000092268001 180355663 /nfs/dbraw/zinc/35/56/63/180355663.db2.gz NRLCIKOGHXIMGM-AWEZNQCLSA-N 1 0 262.422 2.387 10 0 CEAERO [NH3+]CCc1nccn1C[C@@H]1Cc2ccccc2S1 ZINC000092270399 180356032 /nfs/dbraw/zinc/35/60/32/180356032.db2.gz GXBMCNQSYZVFOA-LBPRGKRZSA-N 1 0 259.378 2.101 10 0 CEAERO CCCNC(=O)CC[NH2+]C[C@@H]1CSc2ccccc21 ZINC000092275324 180356283 /nfs/dbraw/zinc/35/62/83/180356283.db2.gz LJDJEGCQAGJROM-GFCCVEGCSA-N 1 0 278.421 2.382 10 0 CEAERO OC1(C2CC2)C[NH+](C[C@@H]2CSc3ccccc32)C1 ZINC000092292786 180358099 /nfs/dbraw/zinc/35/80/99/180358099.db2.gz BRBILXRUONMCAI-LLVKDONJSA-N 1 0 261.390 2.333 10 0 CEAERO CC(C)[C@H](CN(C)C)[NH2+]C[C@@H]1COc2ccccc21 ZINC000092300135 180358820 /nfs/dbraw/zinc/35/88/20/180358820.db2.gz BMWACHBOSAGTOI-HIFRSBDPSA-N 1 0 262.397 2.338 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000092181101 180338227 /nfs/dbraw/zinc/33/82/27/180338227.db2.gz QWIWLOQUDSQVNS-APPZFPTMSA-N 1 0 268.242 2.119 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000092181098 180338493 /nfs/dbraw/zinc/33/84/93/180338493.db2.gz QWIWLOQUDSQVNS-IONNQARKSA-N 1 0 268.242 2.119 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](c2nc(Cc3cc(F)cc(F)c3)no2)C1 ZINC000092181557 180338934 /nfs/dbraw/zinc/33/89/34/180338934.db2.gz MBFSJPDSPYPIFB-JOYOIKCWSA-N 1 0 277.274 2.309 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](c2nc([C@@H]3CCOc4ccccc43)no2)C1 ZINC000092182124 180339057 /nfs/dbraw/zinc/33/90/57/180339057.db2.gz GULHAKPRCAMTSO-DMDPSCGWSA-N 1 0 283.331 2.355 10 0 CEAERO C[NH2+]Cc1cnc(C)n1C[C@@H]1COc2ccccc21 ZINC000092306744 180360624 /nfs/dbraw/zinc/36/06/24/180360624.db2.gz BDQGWVVBQNCDIB-GFCCVEGCSA-N 1 0 257.337 2.087 10 0 CEAERO CC(C)(C)[C@@H]1C[NH2+]CCN1C[C@@H]1COc2ccccc21 ZINC000092307259 180360657 /nfs/dbraw/zinc/36/06/57/180360657.db2.gz RPLGSOJNAOYEDL-CJNGLKHVSA-N 1 0 274.408 2.483 10 0 CEAERO CCc1nc([C@@H]2CCCO2)nc(CC)c1CC[NH2+]C ZINC000092318399 180361648 /nfs/dbraw/zinc/36/16/48/180361648.db2.gz YKDMZHQXVHOVRP-AWEZNQCLSA-N 1 0 263.385 2.215 10 0 CEAERO CCc1nn(-c2ccc(OC)cc2)c(CC)c1C[NH3+] ZINC000092320066 180361735 /nfs/dbraw/zinc/36/17/35/180361735.db2.gz SRFIGXOGZIPVKL-UHFFFAOYSA-N 1 0 259.353 2.464 10 0 CEAERO CCc1nccn1[C@H]1CCC[N@H+](CCCCCO)C1 ZINC000105922509 186091079 /nfs/dbraw/zinc/09/10/79/186091079.db2.gz DKDAYOGUUGZRES-AWEZNQCLSA-N 1 0 265.401 2.245 10 0 CEAERO C[NH2+]C[C@H](C)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C ZINC000092320482 180361890 /nfs/dbraw/zinc/36/18/90/180361890.db2.gz FSMSBMORSZADFU-SNVBAGLBSA-N 1 0 287.411 2.294 10 0 CEAERO CCC[NH2+]C[C@H](C)Cc1c(C)nn(-c2ncccn2)c1C ZINC000092321551 180362221 /nfs/dbraw/zinc/36/22/21/180362221.db2.gz YYTKXUHNGODGFJ-GFCCVEGCSA-N 1 0 287.411 2.457 10 0 CEAERO C[NH2+]CCc1c(C)nn(-c2ccccc2OC)c1C ZINC000092323058 180362289 /nfs/dbraw/zinc/36/22/89/180362289.db2.gz IFJMOIVRGSOSMP-UHFFFAOYSA-N 1 0 259.353 2.260 10 0 CEAERO CCC[C@]1(C(=O)N[C@H](C)c2c(C)noc2C)CC[NH2+]C1 ZINC000092329801 180363548 /nfs/dbraw/zinc/36/35/48/180363548.db2.gz MAACNMOPUIYZFP-BMIGLBTASA-N 1 0 279.384 2.248 10 0 CEAERO CC[C@H]1CN(Cc2ccc(F)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000106101649 186101259 /nfs/dbraw/zinc/10/12/59/186101259.db2.gz JZVFCYNWBUCZGI-CJNGLKHVSA-N 1 0 280.387 2.103 10 0 CEAERO CC1(C)C[C@H]1[NH2+][C@@H]1CC(=O)N(C2CCCCCC2)C1=O ZINC000106071188 186101930 /nfs/dbraw/zinc/10/19/30/186101930.db2.gz OBHYARIRFYRKAK-CHWSQXEVSA-N 1 0 278.396 2.225 10 0 CEAERO Cc1ccsc1CN(C)C(=O)C[NH2+]C(C)(C)C ZINC000106110233 186103386 /nfs/dbraw/zinc/10/33/86/186103386.db2.gz ISJPTHVJSSRRAZ-UHFFFAOYSA-N 1 0 254.399 2.403 10 0 CEAERO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1c(C)nn(C)c1C ZINC000092341842 180365877 /nfs/dbraw/zinc/36/58/77/180365877.db2.gz VVXZBDSSTPZYBS-GOOCMWNKSA-N 1 0 276.428 2.142 10 0 CEAERO Cc1cc([C@@H](O)C2(C[NH3+])CCOCC2)c2ccccc2n1 ZINC000092347086 180366136 /nfs/dbraw/zinc/36/61/36/180366136.db2.gz SXAWVMZYQOVBBV-MRXNPFEDSA-N 1 0 286.375 2.332 10 0 CEAERO Cc1noc(C)c1CN1C[C@H](CC(C)C)[NH2+]C[C@@H]1C ZINC000092342728 180366273 /nfs/dbraw/zinc/36/62/73/180366273.db2.gz NKEQDKCIPBTING-FZMZJTMJSA-N 1 0 265.401 2.500 10 0 CEAERO CCn1cc([C@]2([NH3+])CCCc3ccc(OC)cc32)cn1 ZINC000092367208 180369415 /nfs/dbraw/zinc/36/94/15/180369415.db2.gz DVARWWHXHJRJMH-MRXNPFEDSA-N 1 0 271.364 2.450 10 0 CEAERO CCNc1cccc(C[N@@H+]2CCC[C@@H](C(=O)OCC)C2)n1 ZINC000092367811 180369833 /nfs/dbraw/zinc/36/98/33/180369833.db2.gz IFBZMEOVWWMYAE-CYBMUJFWSA-N 1 0 291.395 2.289 10 0 CEAERO CCNc1cccc(C[N@@H+]2CCSC[C@H]2C)n1 ZINC000092370972 180370094 /nfs/dbraw/zinc/37/00/94/180370094.db2.gz QERNMHUHVMWHNW-LLVKDONJSA-N 1 0 251.399 2.451 10 0 CEAERO CCNc1cccc(C[N@H+](CC)[C@@H](C)COC)n1 ZINC000092368745 180370296 /nfs/dbraw/zinc/37/02/96/180370296.db2.gz IQDYNJKEMRJPKN-LBPRGKRZSA-N 1 0 251.374 2.370 10 0 CEAERO CCOc1cccc(OCc2cccc(NN)[nH+]2)c1 ZINC000092371826 180370884 /nfs/dbraw/zinc/37/08/84/180370884.db2.gz GTLCHJWBHHDWPA-UHFFFAOYSA-N 1 0 259.309 2.345 10 0 CEAERO CCc1nc(-c2ccncc2)nc(CC)c1CC[NH3+] ZINC000092318273 180360980 /nfs/dbraw/zinc/36/09/80/180360980.db2.gz MERWYLOIUQEGMH-UHFFFAOYSA-N 1 0 256.353 2.165 10 0 CEAERO CCCS(=O)(=O)[C@@H]1CCc2ccc(OC)cc2[C@H]1[NH2+]C ZINC000092388643 180374578 /nfs/dbraw/zinc/37/45/78/180374578.db2.gz SNIBXGUIECGBIV-HUUCEWRRSA-N 1 0 297.420 2.095 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@@H]([S@](=O)CC(C)C)CC2 ZINC000092388894 180375487 /nfs/dbraw/zinc/37/54/87/180375487.db2.gz ZDRIQHAFGLUACM-DOXZYTNZSA-N 1 0 281.421 2.415 10 0 CEAERO CC(C)[C@H](CO)[NH2+]C[C@H]1Cc2ccccc2S1 ZINC000092400500 180377264 /nfs/dbraw/zinc/37/72/64/180377264.db2.gz MITHQPXZXKURMI-OLZOCXBDSA-N 1 0 251.395 2.310 10 0 CEAERO CC(C)[C@@H](CO)[NH2+]C[C@H]1Cc2ccccc2S1 ZINC000092400498 180377340 /nfs/dbraw/zinc/37/73/40/180377340.db2.gz MITHQPXZXKURMI-CHWSQXEVSA-N 1 0 251.395 2.310 10 0 CEAERO CC(C)[C@H]1CSC(NCCOCC(F)(F)F)=[NH+]1 ZINC000092402712 180378087 /nfs/dbraw/zinc/37/80/87/180378087.db2.gz DVONTUKSSDKFBZ-MRVPVSSYSA-N 1 0 270.320 2.282 10 0 CEAERO CC[N@@H+]1CCN(Cc2cc(Cl)ccn2)C[C@@H]1C ZINC000092416771 180380751 /nfs/dbraw/zinc/38/07/51/180380751.db2.gz VKZWRFWMGSOLJW-NSHDSACASA-N 1 0 253.777 2.261 10 0 CEAERO CCCNc1cc[nH+]c(CN2CCSCC2)c1 ZINC000092417886 180381354 /nfs/dbraw/zinc/38/13/54/180381354.db2.gz JNOBRCUSMGUFJR-UHFFFAOYSA-N 1 0 251.399 2.452 10 0 CEAERO Cc1cccc(CN2CC(C)(C)[NH2+]C[C@H]2C2CC2)n1 ZINC000092433350 180384165 /nfs/dbraw/zinc/38/41/65/180384165.db2.gz KXPHEKMALNAQRF-HNNXBMFYSA-N 1 0 259.397 2.352 10 0 CEAERO CCNc1cc[nH+]c(CN2CCCC[C@H]2CCO)c1 ZINC000092417993 180381584 /nfs/dbraw/zinc/38/15/84/180381584.db2.gz LNEWJVDZNJVZOY-HNNXBMFYSA-N 1 0 263.385 2.250 10 0 CEAERO CC(C)[C@@H]1CCC(=O)N(Cc2cc(N)cc[nH+]2)CC1 ZINC000092419894 180381851 /nfs/dbraw/zinc/38/18/51/180381851.db2.gz CMGJEZZUJSPBBY-GFCCVEGCSA-N 1 0 261.369 2.449 10 0 CEAERO Nc1cc[nH+]c(CSc2nnc3n2CCCCC3)c1 ZINC000092420819 180382645 /nfs/dbraw/zinc/38/26/45/180382645.db2.gz QYDLNZLBJNOXFJ-UHFFFAOYSA-N 1 0 275.381 2.274 10 0 CEAERO COc1cc(C[NH3+])cc(OC)c1OCc1cccc(C)n1 ZINC000092427503 180383680 /nfs/dbraw/zinc/38/36/80/180383680.db2.gz IVLWMLZQRSIPET-UHFFFAOYSA-N 1 0 288.347 2.445 10 0 CEAERO CCc1[nH+]c(-c2ccc(OC)c(OC)c2)c(N)n1C ZINC000106832846 186137457 /nfs/dbraw/zinc/13/74/57/186137457.db2.gz BZQROFHXGHIGDS-UHFFFAOYSA-N 1 0 261.325 2.249 10 0 CEAERO CCn1c(C)[nH+]c(-c2cc(OC)c(OC)c(OC)c2)c1N ZINC000106830995 186138384 /nfs/dbraw/zinc/13/83/84/186138384.db2.gz GSICDFXBNIAQPU-UHFFFAOYSA-N 1 0 291.351 2.486 10 0 CEAERO CCc1[nH+]c(-c2ccc3c(c2)OCCO3)c(N)n1CC ZINC000106833076 186138478 /nfs/dbraw/zinc/13/84/78/186138478.db2.gz OQDDUOVWQXNRDD-UHFFFAOYSA-N 1 0 273.336 2.486 10 0 CEAERO C[NH2+][C@@H]1c2cc(OC)ccc2CC[C@H]1N(C)C1CC1 ZINC000092385369 180373475 /nfs/dbraw/zinc/37/34/75/180373475.db2.gz KBEJXTAYTMNHCO-HZPDHXFCSA-N 1 0 260.381 2.365 10 0 CEAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@@H](n1ccnc1C)CC2 ZINC000092386062 180373802 /nfs/dbraw/zinc/37/38/02/180373802.db2.gz HNCKXJPVBWPNSY-LSDHHAIUSA-N 1 0 257.337 2.387 10 0 CEAERO CC[C@@H](C)[NH2+][C@]1(C(N)=O)CCCc2ccc(OC)cc21 ZINC000092384978 180373907 /nfs/dbraw/zinc/37/39/07/180373907.db2.gz SGECSRPUEOOLJS-BDJLRTHQSA-N 1 0 276.380 2.100 10 0 CEAERO C[NH2+][C@@H]1c2cc(OC)ccc2CC[C@H]1OC[C@@H]1CCOC1 ZINC000092386742 180374215 /nfs/dbraw/zinc/37/42/15/180374215.db2.gz PWORUANIJYOTCF-CSMYWGQOSA-N 1 0 291.391 2.324 10 0 CEAERO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)Cn1ccnc1 ZINC000130497810 365961537 /nfs/dbraw/zinc/96/15/37/365961537.db2.gz CKZGSJLSPDOCLG-OLZOCXBDSA-N 1 0 259.353 2.198 10 0 CEAERO Cc1cccc(CN2CC[NH2+]C[C@@H]2Cc2ccccc2)n1 ZINC000092433097 180384552 /nfs/dbraw/zinc/38/45/52/180384552.db2.gz QAQQSADVMXEEHU-SFHVURJKSA-N 1 0 281.403 2.407 10 0 CEAERO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H]1CCOc2ccccc21 ZINC000107225586 186163109 /nfs/dbraw/zinc/16/31/09/186163109.db2.gz JHBYTHXNZCASHH-YUELXQCFSA-N 1 0 288.391 2.281 10 0 CEAERO C[C@H](C[NH+]1CCCCC1)n1c(N)nc2cnccc21 ZINC000092513809 180399571 /nfs/dbraw/zinc/39/95/71/180399571.db2.gz FJOQIPAGNWCCCA-LLVKDONJSA-N 1 0 259.357 2.060 10 0 CEAERO S=c1[nH]c2cnccc2n1[C@H]1C[NH+]2CCC1CC2 ZINC000092514187 180399745 /nfs/dbraw/zinc/39/97/45/180399745.db2.gz BFTVYPHHZHLWIQ-LBPRGKRZSA-N 1 0 260.366 2.361 10 0 CEAERO Cc1nc(NC2CC[NH2+]CC2)ccc1Br ZINC000235944561 539801246 /nfs/dbraw/zinc/80/12/46/539801246.db2.gz HMPWGRHWLUNWQF-UHFFFAOYSA-N 1 0 270.174 2.316 10 0 CEAERO C[C@H]([NH2+][C@H]1CC(=O)N(C2CCCC2)C1=O)c1ccsc1 ZINC000108291663 186210870 /nfs/dbraw/zinc/21/08/70/186210870.db2.gz NHYAWKVMMBSGTG-GWCFXTLKSA-N 1 0 292.404 2.469 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccoc1 ZINC000130619340 365973763 /nfs/dbraw/zinc/97/37/63/365973763.db2.gz COYFNNGEZAUWCJ-CQSZACIVSA-N 1 0 264.369 2.059 10 0 CEAERO CCc1nn(C)c2c1nc(N)n2[C@H](CC(C)C)C[NH+](C)C ZINC000092578298 180407752 /nfs/dbraw/zinc/40/77/52/180407752.db2.gz BVTMFHSTCOOTKX-LLVKDONJSA-N 1 0 292.431 2.063 10 0 CEAERO CC1CCC(C[NH2+][C@H]2CC(=O)N(C3CCCC3)C2=O)CC1 ZINC000109180726 186244849 /nfs/dbraw/zinc/24/48/49/186244849.db2.gz NYYMTSHOSAIUCR-PIMMBPRGSA-N 1 0 292.423 2.472 10 0 CEAERO CC[NH2+][C@H]1CCCC[C@H]1c1nc(C[C@@H]2CCCO2)no1 ZINC000109495788 186256465 /nfs/dbraw/zinc/25/64/65/186256465.db2.gz PUNAOSQKWSVFAL-XQQFMLRXSA-N 1 0 279.384 2.427 10 0 CEAERO C[NH2+][C@@H]1CCCC[C@H]1c1nc(-c2cccnc2)no1 ZINC000109495371 186256790 /nfs/dbraw/zinc/25/67/90/186256790.db2.gz SAXWBPKGICQFDK-VXGBXAGGSA-N 1 0 258.325 2.377 10 0 CEAERO CC[NH2+][C@H](COC)Cc1nc(-c2ccc(C)cc2)no1 ZINC000109496744 186256927 /nfs/dbraw/zinc/25/69/27/186256927.db2.gz ISKRFLJMDYDNDU-ZDUSSCGKSA-N 1 0 275.352 2.212 10 0 CEAERO COc1cccc(-c2noc(C[C@H]([NH3+])C(C)C)n2)c1 ZINC000109503940 186257421 /nfs/dbraw/zinc/25/74/21/186257421.db2.gz LVPRKVWKVWXAIA-LBPRGKRZSA-N 1 0 261.325 2.271 10 0 CEAERO CC[NH2+][C@@H]1CCC[C@@H]1c1nc(Cc2ccccn2)no1 ZINC000109499593 186257775 /nfs/dbraw/zinc/25/77/75/186257775.db2.gz PMRWGQBWBOFMKQ-QWHCGFSZSA-N 1 0 272.352 2.301 10 0 CEAERO C[NH2+][C@@H](C)Cc1nc(Cc2cccc(Cl)c2)no1 ZINC000109501131 186257814 /nfs/dbraw/zinc/25/78/14/186257814.db2.gz XAVQANVTFXRXCM-VIFPVBQESA-N 1 0 265.744 2.464 10 0 CEAERO C[NH2+][C@@H](C)CCc1nc(-c2ccc(OC)cc2)no1 ZINC000109503191 186257825 /nfs/dbraw/zinc/25/78/25/186257825.db2.gz MPLRYJMFDOYHQG-JTQLQIEISA-N 1 0 261.325 2.286 10 0 CEAERO Cc1ccccc1Cc1noc(C[C@@H]([NH3+])C(C)C)n1 ZINC000109519374 186259108 /nfs/dbraw/zinc/25/91/08/186259108.db2.gz NEOZQERMSSTPOP-CYBMUJFWSA-N 1 0 259.353 2.495 10 0 CEAERO CC[NH2+][C@@H](C)[C@@H](C)c1nc(CC(F)(F)F)no1 ZINC000109517396 186259226 /nfs/dbraw/zinc/25/92/26/186259226.db2.gz CEWQPQUQYNPZAU-RQJHMYQMSA-N 1 0 251.252 2.276 10 0 CEAERO C[C@@H](O)c1ccccc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000109584893 186263494 /nfs/dbraw/zinc/26/34/94/186263494.db2.gz GGABENLQSDSTOJ-ZIAGYGMSSA-N 1 0 260.381 2.414 10 0 CEAERO CCCCN(CCO)c1cc(CO)[nH+]c2ccccc21 ZINC000109594531 186264756 /nfs/dbraw/zinc/26/47/56/186264756.db2.gz OWBLYQUTSSATAW-UHFFFAOYSA-N 1 0 274.364 2.326 10 0 CEAERO COCCOc1ccc(CC[NH3+])cc1C(F)(F)F ZINC000109411088 186251273 /nfs/dbraw/zinc/25/12/73/186251273.db2.gz DONQWTHWTJZYMO-UHFFFAOYSA-N 1 0 263.259 2.232 10 0 CEAERO CC(C)[C@H]([NH2+]CCc1nncn1C)c1cccs1 ZINC000109422331 186251285 /nfs/dbraw/zinc/25/12/85/186251285.db2.gz QWLZVXRYXHCZFT-ZDUSSCGKSA-N 1 0 264.398 2.406 10 0 CEAERO Cc1cc2c(n1CCc1nncn1C)CC(C)(C)C[C@H]2[NH3+] ZINC000109425470 186251765 /nfs/dbraw/zinc/25/17/65/186251765.db2.gz BNFCEKOLHCDCEB-CYBMUJFWSA-N 1 0 287.411 2.140 10 0 CEAERO Cc1cc([C@@H](C)[NH2+]CCc2nncn2C)c(C)s1 ZINC000109421568 186251949 /nfs/dbraw/zinc/25/19/49/186251949.db2.gz NSCFRPAJIIDETQ-SNVBAGLBSA-N 1 0 264.398 2.387 10 0 CEAERO CCC[C@@H](C(N)=S)[NH+]1CCN(C(=O)C(C)(C)CC)CC1 ZINC000109464691 186253751 /nfs/dbraw/zinc/25/37/51/186253751.db2.gz WGTGMTXXDGQOEC-LBPRGKRZSA-N 1 0 299.484 2.022 10 0 CEAERO CC[C@@H](C[NH3+])N1CCN(c2nc3ccccc3s2)CC1 ZINC000109455190 186253997 /nfs/dbraw/zinc/25/39/97/186253997.db2.gz YRICXBNUNMRZSO-LBPRGKRZSA-N 1 0 290.436 2.156 10 0 CEAERO CCC[C@H](c1ncc(CC)s1)N1CC[NH2+]CC1 ZINC000109472827 186254727 /nfs/dbraw/zinc/25/47/27/186254727.db2.gz VAFAFEUQNKSJCL-GFCCVEGCSA-N 1 0 253.415 2.452 10 0 CEAERO Cc1ccc(F)cc1NC(=O)CN1CCC([C@@H](C)[NH3+])CC1 ZINC000110649846 186310067 /nfs/dbraw/zinc/31/00/67/186310067.db2.gz XVPCGNHEEGDFAF-GFCCVEGCSA-N 1 0 293.386 2.132 10 0 CEAERO Cc1nc(C[NH2+]C[C@@H](O)COCc2ccco2)sc1C ZINC000568976567 299171438 /nfs/dbraw/zinc/17/14/38/299171438.db2.gz YFLFGXKWFJBQBC-GFCCVEGCSA-N 1 0 296.392 2.020 10 0 CEAERO CC[NH+](CC)[C@H]1CCN(C(=O)C(CC)(CC)C(N)=S)C1 ZINC000110272603 186289560 /nfs/dbraw/zinc/28/95/60/186289560.db2.gz FPMJFDHLTXWIMI-LBPRGKRZSA-N 1 0 299.484 2.022 10 0 CEAERO Cc1nnc(Sc2c(C(N)=[NH2+])cnc3ccccc32)n1C ZINC000110355744 186293655 /nfs/dbraw/zinc/29/36/55/186293655.db2.gz CBTHOFDLEIGVJF-UHFFFAOYSA-N 1 0 298.375 2.107 10 0 CEAERO CC[NH2+][C@H](CC)[C@@H](C)c1nc(-c2ncccn2)no1 ZINC000110470026 186298072 /nfs/dbraw/zinc/29/80/72/186298072.db2.gz WPPMZSLHZXVMRG-NXEZZACHSA-N 1 0 261.329 2.018 10 0 CEAERO CCC[NH2+][C@@H](CC)[C@H](C)c1nc(CCOC)no1 ZINC000110470537 186298194 /nfs/dbraw/zinc/29/81/94/186298194.db2.gz MNDCQAQZPQYEIT-QWRGUYRKSA-N 1 0 255.362 2.140 10 0 CEAERO CCOc1ccc([C@@H](CO[C@@H]2CCOC2)[NH2+]C)cc1 ZINC000110526676 186301314 /nfs/dbraw/zinc/30/13/14/186301314.db2.gz HATPPLABERNPRM-HUUCEWRRSA-N 1 0 265.353 2.151 10 0 CEAERO CC[C@@H]([NH3+])[C@H](O[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000110525579 186301362 /nfs/dbraw/zinc/30/13/62/186301362.db2.gz XLOKIHWMIVNVOD-MGPQQGTHSA-N 1 0 253.317 2.410 10 0 CEAERO CC[NH2+]C[C@H](O[C@H]1CCOC1)c1ccc(OC)cc1 ZINC000110529939 186301576 /nfs/dbraw/zinc/30/15/76/186301576.db2.gz VSALLCDCXVAXJX-GJZGRUSLSA-N 1 0 265.353 2.151 10 0 CEAERO OC1(c2ccc(F)c(F)c2F)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000110551777 186303330 /nfs/dbraw/zinc/30/33/30/186303330.db2.gz DJNZGOURHOCWBJ-RKSAZJRESA-N 1 0 257.255 2.206 10 0 CEAERO C[C@@H]1CCCN(C(=O)Cc2ccc(C[NH3+])cc2)[C@@H]1C ZINC000110613876 186305223 /nfs/dbraw/zinc/30/52/23/186305223.db2.gz UQLUKPQTMFAOEZ-CHWSQXEVSA-N 1 0 260.381 2.335 10 0 CEAERO C[C@H]1CCN(C(=O)Cc2ccc(C[NH3+])cc2)[C@@H](C)C1 ZINC000110613993 186305297 /nfs/dbraw/zinc/30/52/97/186305297.db2.gz HOZOTEIKXPKKDI-STQMWFEESA-N 1 0 260.381 2.335 10 0 CEAERO CC[N@H+](C)CCn1c2cc(OC)c(F)cc2[nH]c1=S ZINC000110629050 186306590 /nfs/dbraw/zinc/30/65/90/186306590.db2.gz DXTMGLKKLWMKRN-UHFFFAOYSA-N 1 0 283.372 2.424 10 0 CEAERO C[C@H](NC(=O)C[NH2+]C(C)(C)C)c1ccccc1F ZINC000110838364 186328317 /nfs/dbraw/zinc/32/83/17/186328317.db2.gz ORHRWIGJKQOZDZ-JTQLQIEISA-N 1 0 252.333 2.391 10 0 CEAERO C[C@@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)N(C)CC1CCCC1 ZINC000110848238 186329200 /nfs/dbraw/zinc/32/92/00/186329200.db2.gz ZTFFUJPQGYWIOP-BNOWGMLFSA-N 1 0 252.402 2.399 10 0 CEAERO CN(CC(=O)Nc1ccc(Cl)cc1F)[C@H]1CCC[NH2+]C1 ZINC000110928943 186333298 /nfs/dbraw/zinc/33/32/98/186333298.db2.gz NFBMFYVJVYUHIP-NSHDSACASA-N 1 0 299.777 2.101 10 0 CEAERO Cc1cc(C(=O)N(C)[C@H]2CCC[NH2+]C2)c2ccccc2n1 ZINC000110927060 186333315 /nfs/dbraw/zinc/33/33/15/186333315.db2.gz XTALQTPXDFPSQB-ZDUSSCGKSA-N 1 0 283.375 2.367 10 0 CEAERO CN(C(=O)c1ccc2ncccc2c1)[C@H]1CCC[NH2+]C1 ZINC000110927429 186333542 /nfs/dbraw/zinc/33/35/42/186333542.db2.gz ZAEDGHHLILZQAP-AWEZNQCLSA-N 1 0 269.348 2.059 10 0 CEAERO Cc1cccc(NC(=O)CCCN(C)[C@@H]2CCC[NH2+]C2)c1 ZINC000110930127 186333839 /nfs/dbraw/zinc/33/38/39/186333839.db2.gz QBNFTUCIJIPTAM-MRXNPFEDSA-N 1 0 289.423 2.398 10 0 CEAERO CN(Cc1cc2c(c(Cl)c1)OCO2)[C@@H]1CCC[NH2+]C1 ZINC000110931179 186333843 /nfs/dbraw/zinc/33/38/43/186333843.db2.gz NUWJBHYMYNKGLH-LLVKDONJSA-N 1 0 282.771 2.253 10 0 CEAERO C[C@H]([NH2+]Cc1[nH]nnc1-c1ccccc1)[C@@H]1CCCO1 ZINC000110924510 186333860 /nfs/dbraw/zinc/33/38/60/186333860.db2.gz HJPSJKYYXRQLKD-FZMZJTMJSA-N 1 0 272.352 2.129 10 0 CEAERO CCN(Cc1nnc(-c2ccccc2)o1)[C@H]1CCC[NH2+]C1 ZINC000110942732 186335123 /nfs/dbraw/zinc/33/51/23/186335123.db2.gz YDLBYTBOPXSUMO-AWEZNQCLSA-N 1 0 286.379 2.311 10 0 CEAERO CCN(Cc1nc2ccccc2o1)[C@@H]1CCC[NH2+]C1 ZINC000110944686 186335278 /nfs/dbraw/zinc/33/52/78/186335278.db2.gz OARHBRKAIHKYDU-GFCCVEGCSA-N 1 0 259.353 2.402 10 0 CEAERO CCN(Cc1ccc(Cl)nc1)[C@@H]1CCC[NH2+]C1 ZINC000110944786 186335406 /nfs/dbraw/zinc/33/54/06/186335406.db2.gz HOLYOBXHKIOTBN-GFCCVEGCSA-N 1 0 253.777 2.309 10 0 CEAERO CCN(CC(=O)Nc1ccc(Cl)cc1)[C@H]1CCC[NH2+]C1 ZINC000110944143 186335599 /nfs/dbraw/zinc/33/55/99/186335599.db2.gz CMCFSNIQVIELLX-AWEZNQCLSA-N 1 0 295.814 2.352 10 0 CEAERO CCN(CC(=O)Nc1ccc(C)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000110943488 186335911 /nfs/dbraw/zinc/33/59/11/186335911.db2.gz QUCIHTCMYZOWDY-AWEZNQCLSA-N 1 0 293.386 2.147 10 0 CEAERO Cc1ccc([C@@H](C)[NH3+])c(OCC(=O)NCC(F)(F)F)c1 ZINC000110958733 186337149 /nfs/dbraw/zinc/33/71/49/186337149.db2.gz ZVYDUHOXCDVFJV-SECBINFHSA-N 1 0 290.285 2.072 10 0 CEAERO CC[NH2+][C@H](C)c1ccc(C)cc1O[C@@H]1CCOC1=O ZINC000110960779 186337531 /nfs/dbraw/zinc/33/75/31/186337531.db2.gz DQTQXWGMRJQRKB-DGCLKSJQSA-N 1 0 263.337 2.360 10 0 CEAERO CC[C@H]1CN(C(=O)Nc2cccc([C@@H](C)O)c2)CC[N@@H+]1C ZINC000110694686 186313186 /nfs/dbraw/zinc/31/31/86/186313186.db2.gz IPXQBQOYQYJCOY-DOMZBBRYSA-N 1 0 291.395 2.298 10 0 CEAERO CC[C@H]1CN(C(=O)c2ccc(Cl)cc2N)CC[N@@H+]1C ZINC000110700866 186313861 /nfs/dbraw/zinc/31/38/61/186313861.db2.gz XJWGJLNNSISRAL-NSHDSACASA-N 1 0 281.787 2.088 10 0 CEAERO CC[C@H]1CN(C(=O)c2cc(C)ccc2NC)CC[N@@H+]1C ZINC000110697062 186314501 /nfs/dbraw/zinc/31/45/01/186314501.db2.gz ZLKOZUACLIMXRW-ZDUSSCGKSA-N 1 0 275.396 2.203 10 0 CEAERO CC[C@H]1CN(CC(=O)c2ccc(F)cc2)CC[N@@H+]1C ZINC000110728614 186317619 /nfs/dbraw/zinc/31/76/19/186317619.db2.gz JNUYJUNRUFJNAH-AWEZNQCLSA-N 1 0 264.344 2.034 10 0 CEAERO CCOc1ccccc1[C@@H](O)CN1CC[N@H+](C)C(C)(C)C1 ZINC000110736542 186318305 /nfs/dbraw/zinc/31/83/05/186318305.db2.gz LZFULISVFNIZMW-HNNXBMFYSA-N 1 0 292.423 2.145 10 0 CEAERO Cc1ccc([C@@H](O)[C@@H](C)[N@@H+]2CCN(C)C(C)(C)C2)cc1 ZINC000110736504 186318631 /nfs/dbraw/zinc/31/86/31/186318631.db2.gz ZNSNNUVWUBBKBA-ZBFHGGJFSA-N 1 0 276.424 2.443 10 0 CEAERO CC[N@@H+]1CCN(C(=O)c2cccc3c2CCCN3)C[C@@H]1C ZINC000110759850 186323464 /nfs/dbraw/zinc/32/34/64/186323464.db2.gz KYYKKFNMZBUORK-ZDUSSCGKSA-N 1 0 287.407 2.211 10 0 CEAERO CCOC(=O)c1cc(C)sc1NC(=O)[C@@](C)([NH3+])C1CC1 ZINC000110777791 186324228 /nfs/dbraw/zinc/32/42/28/186324228.db2.gz XBQSWNLPERODJT-AWEZNQCLSA-N 1 0 296.392 2.299 10 0 CEAERO C[C@H](C[NH2+]C1CCCCC1)SCCS(C)(=O)=O ZINC000111007431 186341980 /nfs/dbraw/zinc/34/19/80/186341980.db2.gz NAFPDRZPGALWLN-LLVKDONJSA-N 1 0 279.471 2.075 10 0 CEAERO NC(=[NH2+])c1cc(F)ccc1OC[C@@H]1CCCCO1 ZINC000111035125 186346686 /nfs/dbraw/zinc/34/66/86/186346686.db2.gz OBHFVABWDZXVST-JTQLQIEISA-N 1 0 252.289 2.058 10 0 CEAERO C[C@@H]1CN([C@@H](C[NH3+])c2cccc(F)c2F)CCCO1 ZINC000111040002 186346731 /nfs/dbraw/zinc/34/67/31/186346731.db2.gz PBKRCKASUNORCM-MFKMUULPSA-N 1 0 270.323 2.075 10 0 CEAERO CC[C@@H](N)[C@@H]([N@H+](C)C[C@@H]1CCCOC1)C(C)(C)C ZINC000111154060 186360450 /nfs/dbraw/zinc/36/04/50/186360450.db2.gz CWNSYMLHTVKMGI-BFHYXJOUSA-N 1 0 256.434 2.497 10 0 CEAERO CN(C[C@@H]1CCCOC1)[C@@H](C[NH3+])c1cccc(F)c1 ZINC000111154142 186360992 /nfs/dbraw/zinc/36/09/92/186360992.db2.gz HHXNWKHVQQCBIA-WFASDCNBSA-N 1 0 266.360 2.184 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccco1)N(C)CC1CCOCC1 ZINC000111155876 186361480 /nfs/dbraw/zinc/36/14/80/186361480.db2.gz FCOZQLWLSNATLR-UKRRQHHQSA-N 1 0 266.385 2.416 10 0 CEAERO C[N@H+](C[C@H]1CCCOC1)[C@@H]1CCCCCC[C@@H]1N ZINC000111160426 186361933 /nfs/dbraw/zinc/36/19/33/186361933.db2.gz WXXCOMHDHPEGHS-QLFBSQMISA-N 1 0 254.418 2.395 10 0 CEAERO CN(CC1CCOCC1)[C@@H](C[NH3+])c1cc(F)ccc1F ZINC000111159844 186361990 /nfs/dbraw/zinc/36/19/90/186361990.db2.gz SYGYAQZLNOHBOP-HNNXBMFYSA-N 1 0 284.350 2.323 10 0 CEAERO Cc1cc([C@H](CN)[N@H+](C)CC2CCOCC2)ccc1F ZINC000111159415 186363196 /nfs/dbraw/zinc/36/31/96/186363196.db2.gz VOZFFRFGZKVSDH-INIZCTEOSA-N 1 0 280.387 2.492 10 0 CEAERO COc1ccc([C@H](O)[C@H](C)[N@H+](C)CC2CCOCC2)cc1 ZINC000111168823 186363503 /nfs/dbraw/zinc/36/35/03/186363503.db2.gz MHNSRZOCPKPGBN-SUMWQHHRSA-N 1 0 293.407 2.476 10 0 CEAERO CCCOCCOC[C@H]([NH2+]C)c1ccc2c(c1)OCCO2 ZINC000111107881 186352584 /nfs/dbraw/zinc/35/25/84/186352584.db2.gz PRTQDHOZMABAIY-AWEZNQCLSA-N 1 0 295.379 2.162 10 0 CEAERO C[N@H+](CC1CCOCC1)[C@H]1CNc2ccccc2C1 ZINC000111164165 186363573 /nfs/dbraw/zinc/36/35/73/186363573.db2.gz UCTIUORKAHOYTG-OAHLLOKOSA-N 1 0 260.381 2.382 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1ccncn1)c1ccccn1 ZINC000111113475 186353342 /nfs/dbraw/zinc/35/33/42/186353342.db2.gz NFUXPUFDOVJBHB-GXFFZTMASA-N 1 0 260.366 2.442 10 0 CEAERO CCCOCCOc1ccc(Cl)cc1C(N)=[NH2+] ZINC000111109119 186353355 /nfs/dbraw/zinc/35/33/55/186353355.db2.gz WDSPXUTXGSNATH-UHFFFAOYSA-N 1 0 256.733 2.429 10 0 CEAERO CCCOCCOCc1ccc(F)cc1C(N)=[NH2+] ZINC000111109147 186353702 /nfs/dbraw/zinc/35/37/02/186353702.db2.gz QBLIVEHRUAQZJQ-UHFFFAOYSA-N 1 0 254.305 2.053 10 0 CEAERO CCCOCCOC[C@@H]1CC[C@H](C[NH2+]C(C)(C)C)O1 ZINC000111111286 186353941 /nfs/dbraw/zinc/35/39/41/186353941.db2.gz AJKRNMHNYRYPCB-KGLIPLIRSA-N 1 0 273.417 2.365 10 0 CEAERO CCOCCN(CC)C(=O)C1(C[NH3+])CCCCCC1 ZINC000111121040 186354247 /nfs/dbraw/zinc/35/42/47/186354247.db2.gz BTHVPZHJLMGJMA-UHFFFAOYSA-N 1 0 270.417 2.171 10 0 CEAERO CCOCC[N@H+](CC)C[C@@H](O)c1ccc(OCC)cc1 ZINC000111121408 186354286 /nfs/dbraw/zinc/35/42/86/186354286.db2.gz PMDMMNXBXCLXSF-MRXNPFEDSA-N 1 0 281.396 2.477 10 0 CEAERO CC[NH2+]Cc1nc(CN(CC)CCOCC)cs1 ZINC000111124138 186354372 /nfs/dbraw/zinc/35/43/72/186354372.db2.gz KIPAACIMDGYROB-UHFFFAOYSA-N 1 0 271.430 2.111 10 0 CEAERO CCOCCN(CC)[C@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000111117741 186354602 /nfs/dbraw/zinc/35/46/02/186354602.db2.gz JLCUOSGEMJACPI-OAHLLOKOSA-N 1 0 280.412 2.362 10 0 CEAERO CCC[NH2+]Cc1c(C)nn(C)c1N(CC)CCOCC ZINC000111120617 186354975 /nfs/dbraw/zinc/35/49/75/186354975.db2.gz KEAPGDIGUQDIHE-UHFFFAOYSA-N 1 0 282.432 2.091 10 0 CEAERO CCOCCN(CC)[C@](C)(C[NH3+])Cc1ccc(OC)cc1 ZINC000111117967 186355532 /nfs/dbraw/zinc/35/55/32/186355532.db2.gz KBXVHXKEHHVCRV-KRWDZBQOSA-N 1 0 294.439 2.314 10 0 CEAERO CN(CCC[NH+](C)C)C[C@@H](O)c1cc2ccccc2o1 ZINC000111143646 186359386 /nfs/dbraw/zinc/35/93/86/186359386.db2.gz XRRHFHMUDWHSHF-CQSZACIVSA-N 1 0 276.380 2.350 10 0 CEAERO C[C@@H]([C@@H](O)c1ccccc1)[N@H+](C)CC1CCOCC1 ZINC000111168857 186363630 /nfs/dbraw/zinc/36/36/30/186363630.db2.gz SMPLCFPMUHLGQX-XJKSGUPXSA-N 1 0 263.381 2.467 10 0 CEAERO C[N@H+](CC1CCOCC1)[C@H]1CCc2ccccc2[C@@H]1O ZINC000111168916 186364445 /nfs/dbraw/zinc/36/44/45/186364445.db2.gz RUKHHZHJOUFPMK-IRXDYDNUSA-N 1 0 275.392 2.393 10 0 CEAERO CC(C)[NH2+]C[C@H](C(C)C)N(C)C[C@@H]1CCCOC1 ZINC000111174732 186365691 /nfs/dbraw/zinc/36/56/91/186365691.db2.gz HOBTWRXMINIXDJ-LSDHHAIUSA-N 1 0 256.434 2.367 10 0 CEAERO C[C@H]1CCC[NH2+][C@H]1CNC(=O)[C@@H]1CCOc2ccccc21 ZINC000111186423 186367211 /nfs/dbraw/zinc/36/72/11/186367211.db2.gz MFVDWDGISTWQNB-CFVMTHIKSA-N 1 0 288.391 2.057 10 0 CEAERO COCC[NH2+][C@H](c1nc2c(s1)CCC2)[C@@H]1CCCOC1 ZINC000111322360 186397310 /nfs/dbraw/zinc/39/73/10/186397310.db2.gz PPHKAWXWDQZDMB-RISCZKNCSA-N 1 0 296.436 2.336 10 0 CEAERO CCc1ccc(N(C)C[C@@]2(C[NH3+])CCCOC2)cc1 ZINC000111327353 186398456 /nfs/dbraw/zinc/39/84/56/186398456.db2.gz MSUKYVMASYFDRH-INIZCTEOSA-N 1 0 262.397 2.441 10 0 CEAERO CCC[NH2+]C[C@]1(CN(C)CC(F)(F)F)CCCOC1 ZINC000111325922 186398458 /nfs/dbraw/zinc/39/84/58/186398458.db2.gz LDOZCGJEALXPLF-LBPRGKRZSA-N 1 0 282.350 2.277 10 0 CEAERO CC[NH2+]C[C@]1(CN(C)Cc2ccc(C)o2)CCCOC1 ZINC000111325108 186398670 /nfs/dbraw/zinc/39/86/70/186398670.db2.gz BOPQOILSBCBTCE-INIZCTEOSA-N 1 0 280.412 2.426 10 0 CEAERO CCc1ccc(N(C)C[C@]2(C[NH3+])CCCOC2)cc1 ZINC000111327352 186399282 /nfs/dbraw/zinc/39/92/82/186399282.db2.gz MSUKYVMASYFDRH-MRXNPFEDSA-N 1 0 262.397 2.441 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C[C@H](C)COC ZINC000251850446 539808625 /nfs/dbraw/zinc/80/86/25/539808625.db2.gz RSGVMGKRZWMWHP-ZNMIVQPWSA-N 1 0 254.418 2.218 10 0 CEAERO CC[C@@H]1CN(Cc2c(N)cccc2Cl)CC[N@@H+]1C ZINC000111332540 186401414 /nfs/dbraw/zinc/40/14/14/186401414.db2.gz ULJAMDVHBDAAKF-LLVKDONJSA-N 1 0 267.804 2.448 10 0 CEAERO CCOC(OCC)c1nc(CC[NH+](CC)CC)no1 ZINC000111347356 186402892 /nfs/dbraw/zinc/40/28/92/186402892.db2.gz JAVKYSDKZNSTBO-UHFFFAOYSA-N 1 0 271.361 2.026 10 0 CEAERO CC1CCC(NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000111243253 186375182 /nfs/dbraw/zinc/37/51/82/186375182.db2.gz QNLDFVXVWLNYGP-CBINBANVSA-N 1 0 278.318 2.223 10 0 CEAERO FC(F)(F)[C@]1(c2nc(-c3cccs3)n[nH]2)CC[NH2+]C1 ZINC000111241494 186375304 /nfs/dbraw/zinc/37/53/04/186375304.db2.gz HQSOFQKLVROADJ-SNVBAGLBSA-N 1 0 288.298 2.327 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)o1 ZINC000111244256 186376364 /nfs/dbraw/zinc/37/63/64/186376364.db2.gz CVCPCGMWAUIKHO-CABZTGNLSA-N 1 0 290.285 2.307 10 0 CEAERO Cc1ccc(Cc2noc([C@@H]3C[NH2+]C[C@@H]3C)n2)cc1 ZINC000111256635 186379491 /nfs/dbraw/zinc/37/94/91/186379491.db2.gz SKYPPLYBCZSQJL-WCQYABFASA-N 1 0 257.337 2.292 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)O[C@@H]1CCCc2ccccc21 ZINC000111257515 186379900 /nfs/dbraw/zinc/37/99/00/186379900.db2.gz SRQAYQWZIKBRTC-KCPJHIHWSA-N 1 0 259.349 2.463 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1c1nc(Cc2cccc(F)c2)no1 ZINC000111256486 186379910 /nfs/dbraw/zinc/37/99/10/186379910.db2.gz JWTDIVPMQKHUHR-BXKDBHETSA-N 1 0 261.300 2.122 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000111263142 186380289 /nfs/dbraw/zinc/38/02/89/186380289.db2.gz DVUQEPYEDKILGC-LDYMZIIASA-N 1 0 288.269 2.379 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1ccccc1OC(F)F ZINC000111263888 186381693 /nfs/dbraw/zinc/38/16/93/186381693.db2.gz YQLLQCYUSMNGRR-DTWKUNHWSA-N 1 0 270.279 2.082 10 0 CEAERO CSc1ccccc1NC(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000111265108 186382046 /nfs/dbraw/zinc/38/20/46/186382046.db2.gz IYCKVIREANAENN-UWVGGRQHSA-N 1 0 250.367 2.203 10 0 CEAERO CCc1nc2cc(NC(=O)[C@@H]3C[NH2+]C[C@@H]3C)ccc2o1 ZINC000111267794 186382614 /nfs/dbraw/zinc/38/26/14/186382614.db2.gz QPKBHHGMYFAXTM-GXSJLCMTSA-N 1 0 273.336 2.184 10 0 CEAERO COc1ccccc1[C@H](C)N(C)C(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000111268753 186383997 /nfs/dbraw/zinc/38/39/97/186383997.db2.gz UGMDVKIAYKGKCP-SGMGOOAPSA-N 1 0 276.380 2.070 10 0 CEAERO CCC(CC)N(CC(F)(F)F)C(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000111269147 186384284 /nfs/dbraw/zinc/38/42/84/186384284.db2.gz GQWPNRFWWACVEP-GXSJLCMTSA-N 1 0 280.334 2.421 10 0 CEAERO [NH3+]Cc1ccc(C(=O)NCCC2CCCCC2)nc1 ZINC000111281657 186388152 /nfs/dbraw/zinc/38/81/52/186388152.db2.gz QKQCPGYRXYREAX-UHFFFAOYSA-N 1 0 261.369 2.241 10 0 CEAERO CCc1c(Cl)ncnc1N[C@H]1C[NH+]2CCC1CC2 ZINC000111295895 186392512 /nfs/dbraw/zinc/39/25/12/186392512.db2.gz IBCNKMDOZDXVLK-NSHDSACASA-N 1 0 266.776 2.199 10 0 CEAERO CN(C[C@@H]1CCCCO1)c1c(F)cc(CC[NH3+])cc1F ZINC000111483342 186423230 /nfs/dbraw/zinc/42/32/30/186423230.db2.gz KWDPFXOZUQBWSY-LBPRGKRZSA-N 1 0 284.350 2.471 10 0 CEAERO Cc1nn(C)c(N(C)[C@H](C)C(C)C)c1C[C@@H](C)[NH3+] ZINC000111493561 186423750 /nfs/dbraw/zinc/42/37/50/186423750.db2.gz FLHZDZKPHYZGNJ-ZYHUDNBSSA-N 1 0 252.406 2.099 10 0 CEAERO Cc1cnc(Sc2nc3ccccn3c2C[C@@H](C)[NH3+])nc1 ZINC000111589015 186430236 /nfs/dbraw/zinc/43/02/36/186430236.db2.gz NKOGRPMROZGYBT-LLVKDONJSA-N 1 0 299.403 2.474 10 0 CEAERO CCCN(CC(=O)N1CCCC[C@@H]1CC)[C@@H]1CCC[NH2+]C1 ZINC000111613193 186431603 /nfs/dbraw/zinc/43/16/03/186431603.db2.gz ODMXIAIMPXUBKV-JKSUJKDBSA-N 1 0 295.471 2.242 10 0 CEAERO CCC(CC)[C@@H](C)[NH2+]C[C@@H](O)COCCOC(C)C ZINC000111668099 186439828 /nfs/dbraw/zinc/43/98/28/186439828.db2.gz LYDYOQSWSMPPBB-UKRRQHHQSA-N 1 0 275.433 2.203 10 0 CEAERO Cn1ccnc1CN1CCCC[C@@H]1C[NH2+]C(C)(C)C ZINC000111703929 186448117 /nfs/dbraw/zinc/44/81/17/186448117.db2.gz HKZZNGIWZPVWNV-CYBMUJFWSA-N 1 0 264.417 2.163 10 0 CEAERO CCN(CC)C(=O)[C@H](C)N1CCCC[C@@H]1C[NH2+]CC(C)C ZINC000111704807 186448334 /nfs/dbraw/zinc/44/83/34/186448334.db2.gz ZLMHPTIPMLEJEV-JKSUJKDBSA-N 1 0 297.487 2.343 10 0 CEAERO CC[NH2+]C[C@@H]1CCCCN1S(=O)(=O)C1CCCCC1 ZINC000111720213 186449880 /nfs/dbraw/zinc/44/98/80/186449880.db2.gz SOKDWTWTFXVPCJ-ZDUSSCGKSA-N 1 0 288.457 2.113 10 0 CEAERO CCC(CC)N(CC[NH3+])C(=O)c1c(OC)cccc1OC ZINC000111368762 186407487 /nfs/dbraw/zinc/40/74/87/186407487.db2.gz ALLCXRORGYCTJB-UHFFFAOYSA-N 1 0 294.395 2.293 10 0 CEAERO COc1ccc(OC)c(C(=O)N2CCC[C@@H]2CCC[NH3+])c1 ZINC000111371050 186408578 /nfs/dbraw/zinc/40/85/78/186408578.db2.gz IICPNXCRNDWMCR-LBPRGKRZSA-N 1 0 292.379 2.047 10 0 CEAERO [NH3+]CCC[C@@H]1CCCN1c1ncnc2ccccc21 ZINC000111379826 186409597 /nfs/dbraw/zinc/40/95/97/186409597.db2.gz JMZKRHGHXVSZIT-GFCCVEGCSA-N 1 0 256.353 2.338 10 0 CEAERO Clc1ccc(Br)cc1OC1C[NH2+]C1 ZINC000069717717 362994833 /nfs/dbraw/zinc/99/48/33/362994833.db2.gz SHPNIROIPCAGPF-UHFFFAOYSA-N 1 0 262.534 2.453 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1noc2c1CCCC2 ZINC000113267869 186566202 /nfs/dbraw/zinc/56/62/02/186566202.db2.gz ICAOLDFNFCWHOE-QWHCGFSZSA-N 1 0 275.396 2.222 10 0 CEAERO CO[C@H]1C[NH2+][C@](C)(c2nc(-c3ccc(C)cc3)no2)C1 ZINC000629676312 351463070 /nfs/dbraw/zinc/46/30/70/351463070.db2.gz GMVNGXWWUVNEJA-DOMZBBRYSA-N 1 0 273.336 2.269 10 0 CEAERO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@@H]1CN(C)CCO1 ZINC000120038877 186871321 /nfs/dbraw/zinc/87/13/21/186871321.db2.gz MOIDZVDEABYCBJ-MJBXVCDLSA-N 1 0 254.418 2.121 10 0 CEAERO CC[C@@H]1[NH2+]CC[C@H]1Nc1ncccc1Br ZINC000630092931 351615894 /nfs/dbraw/zinc/61/58/94/351615894.db2.gz LRCZTWQJRMALKX-VHSXEESVSA-N 1 0 270.174 2.397 10 0 CEAERO C[C@H]1CN(C(=O)c2cscc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC000630093711 351616480 /nfs/dbraw/zinc/61/64/80/351616480.db2.gz PDRGWMRXABKVSE-YUMQZZPRSA-N 1 0 292.326 2.434 10 0 CEAERO CC(C)c1nc(-c2ccccn2)cc(N2CCC[NH2+]CC2)n1 ZINC000070452007 363083565 /nfs/dbraw/zinc/08/35/65/363083565.db2.gz QIDPAFXCEQJLOH-UHFFFAOYSA-N 1 0 297.406 2.462 10 0 CEAERO CC1(C)Cc2cccc(CN3CCC[C@H]3C[NH3+])c2O1 ZINC000131387976 366049603 /nfs/dbraw/zinc/04/96/03/366049603.db2.gz YLAIZFJRAIUBMW-AWEZNQCLSA-N 1 0 260.381 2.323 10 0 CEAERO COc1ccc(-c2nc(C)cc(N3CCC[NH2+]CC3)n2)cc1 ZINC000070451941 363084088 /nfs/dbraw/zinc/08/40/88/363084088.db2.gz UCMJEEDRLVUFIR-UHFFFAOYSA-N 1 0 298.390 2.260 10 0 CEAERO COCc1cc(NC[C@@H]2CCC[NH2+]C2)nc(C(C)C)n1 ZINC000070456375 363084687 /nfs/dbraw/zinc/08/46/87/363084687.db2.gz COMBWMVUEVLNGG-GFCCVEGCSA-N 1 0 278.400 2.158 10 0 CEAERO CCCc1nc(CN2C[C@@H](OC)C[C@@]2(C)C[NH3+])cs1 ZINC000630361272 351711932 /nfs/dbraw/zinc/71/19/32/351711932.db2.gz IOCYEPMKBUFWBU-JSGCOSHPSA-N 1 0 283.441 2.034 10 0 CEAERO CO[C@H]1CN(Cc2cc(F)ccc2C)[C@](C)(C[NH3+])C1 ZINC000630368072 351714274 /nfs/dbraw/zinc/71/42/74/351714274.db2.gz QFAPNOAWXVWYBJ-CABCVRRESA-N 1 0 266.360 2.072 10 0 CEAERO [NH3+]C[C@H]1CN(c2ncccc2F)CC[C@H]1C(F)(F)F ZINC000630527379 351773219 /nfs/dbraw/zinc/77/32/19/351773219.db2.gz JAAJJTZCCFTFGI-DTWKUNHWSA-N 1 0 277.265 2.184 10 0 CEAERO CC[C@@H]1[NH2+]CC[C@H]1Nc1cncc(Br)c1 ZINC000630527387 351773653 /nfs/dbraw/zinc/77/36/53/351773653.db2.gz JEOIIDGGQZCRNU-WDEREUQCSA-N 1 0 270.174 2.397 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccncc1C ZINC000122076915 187014087 /nfs/dbraw/zinc/01/40/87/187014087.db2.gz OUSUWCFAHXBRHY-ZDUSSCGKSA-N 1 0 276.384 2.338 10 0 CEAERO [NH3+]C[C@@H]1CCCN1C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000122322547 187027067 /nfs/dbraw/zinc/02/70/67/187027067.db2.gz OKSSAKMXXRQNEH-JTQLQIEISA-N 1 0 287.190 2.486 10 0 CEAERO CCC[C@@H](C(=O)N(C)CCc1cccs1)[NH+](C)C ZINC000122583092 187039663 /nfs/dbraw/zinc/03/96/63/187039663.db2.gz KLGMIUBOHKTNSG-ZDUSSCGKSA-N 1 0 268.426 2.479 10 0 CEAERO C[C@H](C[NH2+][C@H](Cc1ccccc1)C1CC1)N1CCOCC1 ZINC000123243467 187080577 /nfs/dbraw/zinc/08/05/77/187080577.db2.gz WCGBKYRDTDMXSE-CRAIPNDOSA-N 1 0 288.435 2.318 10 0 CEAERO CC[C@H](O)C[NH+]1CCN(Cc2ccc(F)c(C)c2)CC1 ZINC000123534576 187097709 /nfs/dbraw/zinc/09/77/09/187097709.db2.gz QYULDCUXLJBEMX-HNNXBMFYSA-N 1 0 280.387 2.023 10 0 CEAERO CCCc1nsc(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000131064304 187538463 /nfs/dbraw/zinc/53/84/63/187538463.db2.gz SGWQMPNAYQFBJG-AXFHLTTASA-N 1 0 266.414 2.054 10 0 CEAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1ccncc1Br ZINC000631077496 351951925 /nfs/dbraw/zinc/95/19/25/351951925.db2.gz GGWVQPPUTITFDA-AAEUAGOBSA-N 1 0 299.212 2.485 10 0 CEAERO COc1ccc(C)cc1[C@H](C)NC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000092951990 539831052 /nfs/dbraw/zinc/83/10/52/539831052.db2.gz IPTAUZYAAJJSFH-AGIUHOORSA-N 1 0 276.380 2.179 10 0 CEAERO C[NH2+]CCC1CCN(c2cncc(OC(C)C)n2)CC1 ZINC000071176386 363109250 /nfs/dbraw/zinc/10/92/50/363109250.db2.gz TYDFNVPSLLIAON-UHFFFAOYSA-N 1 0 278.400 2.090 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@H](C)Cc2ccc(F)cc2)C1 ZINC000252634956 539883106 /nfs/dbraw/zinc/88/31/06/539883106.db2.gz FKLODEZIMFNJPX-CJNGLKHVSA-N 1 0 280.387 2.067 10 0 CEAERO [NH3+]C1(CC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCC1 ZINC000094294119 539874311 /nfs/dbraw/zinc/87/43/11/539874311.db2.gz XBLPOAOTRGGPRZ-NXEZZACHSA-N 1 0 278.318 2.495 10 0 CEAERO COc1ccc(C)cc1[C@H](C)NC(=O)CC1([NH3+])CCC1 ZINC000094293838 539874393 /nfs/dbraw/zinc/87/43/93/539874393.db2.gz RGBWHHMUKPNJTQ-LBPRGKRZSA-N 1 0 276.380 2.452 10 0 CEAERO O=C1CCCN1c1cccc(N[C@@H]2CCC[NH2+]CC2)c1 ZINC000133587858 187694468 /nfs/dbraw/zinc/69/44/68/187694468.db2.gz RWKSTYGIJHOZQD-CYBMUJFWSA-N 1 0 273.380 2.367 10 0 CEAERO COC(=O)[C@H](C)C[NH2+][C@H](C)c1cccc(OC)c1 ZINC000148270731 187916754 /nfs/dbraw/zinc/91/67/54/187916754.db2.gz UZVZUPYJLZOCKJ-GHMZBOCLSA-N 1 0 251.326 2.155 10 0 CEAERO CCOc1cc(NCc2ccc3c(c2)C[NH2+]C3)nc(C)n1 ZINC000097829945 539953247 /nfs/dbraw/zinc/95/32/47/539953247.db2.gz JICBKHDGGOTQPJ-UHFFFAOYSA-N 1 0 284.363 2.399 10 0 CEAERO CCC[C@H](C(=O)N(C)CCOCc1ccccc1)[NH+](C)C ZINC000153897794 188110903 /nfs/dbraw/zinc/11/09/03/188110903.db2.gz YPUUVMVONCHSEV-MRXNPFEDSA-N 1 0 292.423 2.392 10 0 CEAERO CC[C@@H]1CN(c2nc(C(C)C)ns2)CC[C@H]1[NH3+] ZINC000251530853 539976476 /nfs/dbraw/zinc/97/64/76/539976476.db2.gz AIVMMDGAZHKIRN-NXEZZACHSA-N 1 0 254.403 2.225 10 0 CEAERO Cc1ccoc1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000155318858 188198814 /nfs/dbraw/zinc/19/88/14/188198814.db2.gz NUUWKNSSIFEBDC-RYUDHWBXSA-N 1 0 250.342 2.047 10 0 CEAERO C[C@H]([NH3+])C(=O)Nc1cccc(COCc2ccco2)c1 ZINC000157188382 188301991 /nfs/dbraw/zinc/30/19/91/188301991.db2.gz PYXWFZMLKFMWBB-NSHDSACASA-N 1 0 274.320 2.282 10 0 CEAERO C[C@@H]([NH3+])C(=O)Nc1cccc(COCc2ccco2)c1 ZINC000157188539 188302132 /nfs/dbraw/zinc/30/21/32/188302132.db2.gz PYXWFZMLKFMWBB-LLVKDONJSA-N 1 0 274.320 2.282 10 0 CEAERO O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)C1CC[NH2+]CC1 ZINC000037042533 295863879 /nfs/dbraw/zinc/86/38/79/295863879.db2.gz BOVXUYQELVMAQF-MNOVXSKESA-N 1 0 278.318 2.223 10 0 CEAERO C[C@H]1CCCN(c2ncnc3sccc32)[C@H]1C[NH3+] ZINC000252219006 540002634 /nfs/dbraw/zinc/00/26/34/540002634.db2.gz YNIMRCKIAKUNOG-ONGXEEELSA-N 1 0 262.382 2.255 10 0 CEAERO CCC[C@@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)[NH+](C)C ZINC000132412832 366142152 /nfs/dbraw/zinc/14/21/52/366142152.db2.gz CKWFJBZMQTVJHV-INIZCTEOSA-N 1 0 295.471 2.240 10 0 CEAERO CCC[C@@H](C(=O)NCCCNc1ccc(C)cn1)[NH+](C)C ZINC000162402321 188571526 /nfs/dbraw/zinc/57/15/26/188571526.db2.gz YPBGFIUXEFAXQR-AWEZNQCLSA-N 1 0 292.427 2.039 10 0 CEAERO CCOC(=O)c1csc(N(C)C[C@@H]2CCC[N@@H+]2CC)n1 ZINC000133162172 366200618 /nfs/dbraw/zinc/20/06/18/366200618.db2.gz GWWJXVCEDLQCNB-NSHDSACASA-N 1 0 297.424 2.240 10 0 CEAERO O=C(NCC1(C2CC2)CCC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000133277133 366210231 /nfs/dbraw/zinc/21/02/31/366210231.db2.gz CXZMHMSKLMXRFY-OAHLLOKOSA-N 1 0 291.439 2.446 10 0 CEAERO Cc1cccc([C@H](C)[NH2+]C[C@@H](O)COC[C@@H]2CCCO2)c1 ZINC000157329821 540038709 /nfs/dbraw/zinc/03/87/09/540038709.db2.gz UROGMSUESHBWKC-UAGQMJEPSA-N 1 0 293.407 2.202 10 0 CEAERO CC(C)(C)OC(=O)N[C@H](CC[NH2+]C1CC1)C(F)F ZINC000675051263 540064507 /nfs/dbraw/zinc/06/45/07/540064507.db2.gz OFAOVTQAOGSMSK-SECBINFHSA-N 1 0 264.316 2.287 10 0 CEAERO CC[C@H]1CN(CC23CCC(CC2)[NH2+]3)C[C@H](CC)O1 ZINC000675056055 540073556 /nfs/dbraw/zinc/07/35/56/540073556.db2.gz JFMCZPBVIVIPNH-GQKFXUNGSA-N 1 0 252.402 2.160 10 0 CEAERO CC(C)[C@@H]([NH3+])CCN(C)c1nccc(C(F)(F)F)n1 ZINC000133578590 366237161 /nfs/dbraw/zinc/23/71/61/366237161.db2.gz YIAKGTJEQTZYFQ-VIFPVBQESA-N 1 0 276.306 2.305 10 0 CEAERO C([NH2+]CC1CCCC1)[C@@H]1CCN1C1CCOCC1 ZINC000675070194 540112334 /nfs/dbraw/zinc/11/23/34/540112334.db2.gz NATUTVSNBLVYPW-HNNXBMFYSA-N 1 0 252.402 2.020 10 0 CEAERO CCCC(=O)N1[C@@H](CC[NH3+])CCC[C@@H]1C(F)(F)F ZINC000675073092 540114545 /nfs/dbraw/zinc/11/45/45/540114545.db2.gz LBDXTVKQUSXZOP-NXEZZACHSA-N 1 0 266.307 2.447 10 0 CEAERO CCS(=O)(=O)c1ccc(N2CC[C@@H](C)C[C@H]2C[NH3+])cc1 ZINC000261640082 540149666 /nfs/dbraw/zinc/14/96/66/540149666.db2.gz JMTAOCYXYRLDCD-OCCSQVGLSA-N 1 0 296.436 2.044 10 0 CEAERO CC(C)(NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1cccs1 ZINC000261821526 540153347 /nfs/dbraw/zinc/15/33/47/540153347.db2.gz SUGAEMQAWSNIPX-GHMZBOCLSA-N 1 0 266.410 2.474 10 0 CEAERO CCc1csc(N2C[C@@H]3CCC[C@]3(C[NH3+])C2)n1 ZINC000383608694 540189262 /nfs/dbraw/zinc/18/92/62/540189262.db2.gz SDGNEEZLKFSNME-GWCFXTLKSA-N 1 0 251.399 2.271 10 0 CEAERO CC[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCN(CCO)C2)CC1 ZINC000384793864 540218221 /nfs/dbraw/zinc/21/82/21/540218221.db2.gz XFMJMZKELUUNQF-OAGGEKHMSA-N 1 0 268.445 2.392 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc(O)cc1 ZINC000134145919 366291747 /nfs/dbraw/zinc/29/17/47/366291747.db2.gz HWHIRZZDIJEPBR-LSDHHAIUSA-N 1 0 288.391 2.020 10 0 CEAERO [NH3+][C@H]1CO[C@H](c2cccc(I)c2)C1 ZINC000575470909 366291300 /nfs/dbraw/zinc/29/13/00/366291300.db2.gz LEZFDPNDOIYHQM-ZJUUUORDSA-N 1 0 289.116 2.080 10 0 CEAERO C[C@H](CN1C(=O)c2ccccc2C1=O)[C@@H]1CCCC[NH2+]1 ZINC000575524825 366292712 /nfs/dbraw/zinc/29/27/12/366292712.db2.gz FVVKCKKLEJTFCM-RISCZKNCSA-N 1 0 272.348 2.061 10 0 CEAERO C[NH+](C)[C@H]1CCCN(Cc2ccc(F)c(F)c2)C1=O ZINC000075876405 363496257 /nfs/dbraw/zinc/49/62/57/363496257.db2.gz LMIAFLRFTXZBIM-ZDUSSCGKSA-N 1 0 268.307 2.017 10 0 CEAERO CC[C@H]1C[N@H+](C[C@H](O)COCc2ccccc2)CCS1 ZINC000076072658 363517727 /nfs/dbraw/zinc/51/77/27/363517727.db2.gz IEPZOKOYBGRBSV-HOTGVXAUSA-N 1 0 295.448 2.392 10 0 CEAERO Brc1ccc(CN2CC[N@@H+]3CCC[C@@H]3C2)nc1 ZINC000134535070 366336424 /nfs/dbraw/zinc/33/64/24/366336424.db2.gz PRUBODDTJBMHLF-CYBMUJFWSA-N 1 0 296.212 2.124 10 0 CEAERO CCOc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)NC1CC1 ZINC000134846971 366364477 /nfs/dbraw/zinc/36/44/77/366364477.db2.gz LQNPSJQAIAQDSE-NWDGAFQWSA-N 1 0 276.380 2.403 10 0 CEAERO CCc1ncc(C[NH2+]CCn2cc(C)cn2)s1 ZINC000227760983 538767161 /nfs/dbraw/zinc/76/71/61/538767161.db2.gz BDRHTLVLZMKYLW-UHFFFAOYSA-N 1 0 250.371 2.000 10 0 CEAERO CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H](C)C(C)C ZINC000079122211 363580385 /nfs/dbraw/zinc/58/03/85/363580385.db2.gz YEVQOVXUYPZIEU-ZDUSSCGKSA-N 1 0 257.422 2.260 10 0 CEAERO CC(C)C[NH+]1CCN(C(=O)N[C@H](C)C(C)C)CC1 ZINC000079122154 363580498 /nfs/dbraw/zinc/58/04/98/363580498.db2.gz OUWZGRUVCWMJTM-CYBMUJFWSA-N 1 0 255.406 2.014 10 0 CEAERO CCc1ccc(CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])s1 ZINC000227423223 538833186 /nfs/dbraw/zinc/83/31/86/538833186.db2.gz GXAALIVSAASCHO-MFKMUULPSA-N 1 0 266.410 2.302 10 0 CEAERO C[C@]1(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCC[NH2+]1 ZINC000227489513 538860016 /nfs/dbraw/zinc/86/00/16/538860016.db2.gz AQSCKASNQVYLGN-CKYFFXLPSA-N 1 0 278.318 2.366 10 0 CEAERO Cc1nc([C@@H](C)[NH2+]CC2(O)CCSCC2)cs1 ZINC000676488909 538893205 /nfs/dbraw/zinc/89/32/05/538893205.db2.gz GOGJFRWMKCRZOI-SECBINFHSA-N 1 0 272.439 2.360 10 0 CEAERO O[C@@H]1CCC[C@H](C[N@@H+]2CCOCC23CCCC3)C1 ZINC000388534048 540327940 /nfs/dbraw/zinc/32/79/40/540327940.db2.gz MLJDURPLNOXZCU-UONOGXRCSA-N 1 0 253.386 2.183 10 0 CEAERO Cc1ncc(C[N@H+](C)C[C@H]2CCC[C@@H](O)C2)s1 ZINC000310098494 540335938 /nfs/dbraw/zinc/33/59/38/540335938.db2.gz AQUXFTXXXHHUQC-NWDGAFQWSA-N 1 0 254.399 2.434 10 0 CEAERO Cc1ncc(C[N@H+](C)C[C@H]2CCC[C@H](O)C2)s1 ZINC000310098495 540336012 /nfs/dbraw/zinc/33/60/12/540336012.db2.gz AQUXFTXXXHHUQC-RYUDHWBXSA-N 1 0 254.399 2.434 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@H](C)c2ccc(OC)cc2)C1 ZINC000157146001 540351671 /nfs/dbraw/zinc/35/16/71/540351671.db2.gz SSSMZTXFFLNQLU-CZUORRHYSA-N 1 0 278.396 2.067 10 0 CEAERO CN(C(=O)[C@]1(C)CCCC[NH2+]1)c1ccc(F)c(F)c1 ZINC000180935022 540363396 /nfs/dbraw/zinc/36/33/96/540363396.db2.gz DQSFALUGIQZDMD-AWEZNQCLSA-N 1 0 268.307 2.460 10 0 CEAERO C[C@@H]([NH2+]CCCOc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000578004987 366428706 /nfs/dbraw/zinc/42/87/06/366428706.db2.gz ZCGRRXCNDLBPHP-CABCVRRESA-N 1 0 262.397 2.433 10 0 CEAERO CC1(C)C[NH+](C[C@H]2CCC[C@@H](O)C2)CC(C)(C)O1 ZINC000310772697 540410563 /nfs/dbraw/zinc/41/05/63/540410563.db2.gz DBQCQQIVSCCEQY-QWHCGFSZSA-N 1 0 255.402 2.427 10 0 CEAERO COc1cc2c(cc1C[NH2+][C@@H]1CCC[C@@H](O)C1)O[C@H](C)C2 ZINC000228983107 540417131 /nfs/dbraw/zinc/41/71/31/540417131.db2.gz IKTDYMZVPJUUPI-KCPJHIHWSA-N 1 0 291.391 2.412 10 0 CEAERO COC(C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1)OC ZINC000136776240 366525627 /nfs/dbraw/zinc/52/56/27/366525627.db2.gz NFTZARVVKIZPOG-CABCVRRESA-N 1 0 279.380 2.193 10 0 CEAERO CCO[C@H]1C[C@@H]([N@H+](C)CC(OC)OC)C12CCCC2 ZINC000136795887 366527213 /nfs/dbraw/zinc/52/72/13/366527213.db2.gz XGSMWAMLSAGCIQ-OLZOCXBDSA-N 1 0 271.401 2.275 10 0 CEAERO CC[C@@H](COC)[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000079707080 363622294 /nfs/dbraw/zinc/62/22/94/363622294.db2.gz RASSDOPVLBFRLH-GJZGRUSLSA-N 1 0 250.386 2.304 10 0 CEAERO CC[C@H]([NH2+]C[C@H](O)COC(C)(C)C)c1nccs1 ZINC000080304675 363655697 /nfs/dbraw/zinc/65/56/97/363655697.db2.gz RBRRYHWHSQBKCP-QWRGUYRKSA-N 1 0 272.414 2.360 10 0 CEAERO CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)(C)c1ccccc1 ZINC000179786524 542257356 /nfs/dbraw/zinc/25/73/56/542257356.db2.gz PXLBYTDZEQGWEF-AWEZNQCLSA-N 1 0 260.381 2.175 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@](C)([NH+]2CCOCC2)CC1 ZINC000685952397 540646686 /nfs/dbraw/zinc/64/66/86/540646686.db2.gz JJDJTNWOVNSTAK-INIZCTEOSA-N 1 0 298.427 2.498 10 0 CEAERO CCC[C@H](C(=O)Nc1cc(C)ccc1O)[NH+](C)C ZINC000138013430 366550406 /nfs/dbraw/zinc/55/04/06/366550406.db2.gz VBBRWLHKKMZMPU-GFCCVEGCSA-N 1 0 250.342 2.369 10 0 CEAERO CC[N@H+](C)[C@H]1CCN(c2ccc(Br)cn2)C1 ZINC000141764272 366566095 /nfs/dbraw/zinc/56/60/95/366566095.db2.gz GQGKPHSGSHQYAC-NSHDSACASA-N 1 0 284.201 2.375 10 0 CEAERO CC1=[N+]([O-])C2(CCCCC2)[N+](O)=C1c1ccccc1 ZINC000144520534 366570802 /nfs/dbraw/zinc/57/08/02/366570802.db2.gz CIQNIHOZKHSLCU-UHFFFAOYSA-N 1 0 260.337 2.414 10 0 CEAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@H]1c1cccc(N)c1 ZINC000148200990 366580616 /nfs/dbraw/zinc/58/06/16/366580616.db2.gz OPRCLRJBUPMXTR-ZDUSSCGKSA-N 1 0 277.368 2.150 10 0 CEAERO Cc1cc(N[C@H]2CCCn3ncnc32)nc(C2CC2)n1 ZINC000176854499 189011197 /nfs/dbraw/zinc/01/11/97/189011197.db2.gz BBBKVGDYJOQRDK-NSHDSACASA-N 1 0 270.340 2.201 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)NCc1cc(Cl)ccc1OC ZINC000236963825 370667400 /nfs/dbraw/zinc/66/74/00/370667400.db2.gz ZFAFEIXWMJTFQE-LLVKDONJSA-N 1 0 270.760 2.092 10 0 CEAERO Cc1cccnc1NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000177029286 189021761 /nfs/dbraw/zinc/02/17/61/189021761.db2.gz ZOWWVGYAOTVDDV-STQMWFEESA-N 1 0 276.384 2.240 10 0 CEAERO COC(=O)[C@@H](C)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000217900781 291219297 /nfs/dbraw/zinc/21/92/97/291219297.db2.gz NPWJOOWAZAFWQK-DTWKUNHWSA-N 1 0 253.264 2.070 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1nc2ccccc2n1C ZINC000177708017 189064576 /nfs/dbraw/zinc/06/45/76/189064576.db2.gz MRLFSMIKPGZSCG-CQSZACIVSA-N 1 0 286.423 2.489 10 0 CEAERO COC(=O)c1cc(CN2CC[N@@H+]3CCCC[C@@H]3C2)oc1C ZINC000177763454 189068154 /nfs/dbraw/zinc/06/81/54/189068154.db2.gz ORCTYQGMEBMTTQ-CYBMUJFWSA-N 1 0 292.379 2.045 10 0 CEAERO C[C@@H](CS(C)(=O)=O)[NH2+][C@@H]1CCCCc2ccccc21 ZINC000081902010 363745446 /nfs/dbraw/zinc/74/54/46/363745446.db2.gz ZETVJIVSQJCZLD-SWLSCSKDSA-N 1 0 281.421 2.477 10 0 CEAERO Cc1cccc(NC(=O)CN2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000177775056 189068599 /nfs/dbraw/zinc/06/85/99/189068599.db2.gz BAGNADDVPOZZSO-MRXNPFEDSA-N 1 0 287.407 2.104 10 0 CEAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCC(=O)OC(C)(C)C ZINC000178297444 189103815 /nfs/dbraw/zinc/10/38/15/189103815.db2.gz LGVAARNILLXFOJ-AWEZNQCLSA-N 1 0 293.411 2.388 10 0 CEAERO CCC[C@H](C(=O)NCCOc1ccccc1C)[NH+](C)C ZINC000178651353 189134669 /nfs/dbraw/zinc/13/46/69/189134669.db2.gz MIRSDDISCPFCLO-CQSZACIVSA-N 1 0 278.396 2.220 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4sccc43)C[C@@H]12 ZINC000261807285 283595347 /nfs/dbraw/zinc/59/53/47/283595347.db2.gz RYWSGLKICLMUCM-FMKGYKFTSA-N 1 0 290.432 2.364 10 0 CEAERO C[NH+](C)C[C@H](NC(=O)[C@@H](O)c1ccccc1)c1ccccc1 ZINC000179651532 189210388 /nfs/dbraw/zinc/21/03/88/189210388.db2.gz KKCUYYIHEIZLBY-IRXDYDNUSA-N 1 0 298.386 2.139 10 0 CEAERO C[NH+](C)C[C@@H](NC(=O)[C@@H](O)c1ccccc1)c1ccccc1 ZINC000179651543 189210449 /nfs/dbraw/zinc/21/04/49/189210449.db2.gz KKCUYYIHEIZLBY-SJORKVTESA-N 1 0 298.386 2.139 10 0 CEAERO CCc1cnc(C[NH2+][C@H]2CCCCC[C@H]2O)s1 ZINC000342207847 216260619 /nfs/dbraw/zinc/26/06/19/216260619.db2.gz UBYAOBSAKZMDFL-NWDGAFQWSA-N 1 0 254.399 2.489 10 0 CEAERO O[C@]12CCCC[C@@H]1C[N@H+](Cc1cnn3ccccc13)CC2 ZINC000179840241 189223266 /nfs/dbraw/zinc/22/32/66/189223266.db2.gz HHONUDSKDSPXJG-WBVHZDCISA-N 1 0 285.391 2.461 10 0 CEAERO Cc1ccc(CC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1O ZINC000180352235 189250969 /nfs/dbraw/zinc/25/09/69/189250969.db2.gz ZCNWRTRFAPRDOH-ZFWWWQNUSA-N 1 0 290.407 2.088 10 0 CEAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)C(C)(C)c1ccccc1 ZINC000180487606 189258566 /nfs/dbraw/zinc/25/85/66/189258566.db2.gz SMTMGEAGCCLNJF-HOCLYGCPSA-N 1 0 276.424 2.273 10 0 CEAERO CCOC(=O)c1ccc(NC[C@H]2CCCC[NH2+]2)cc1 ZINC000001717926 361219632 /nfs/dbraw/zinc/21/96/32/361219632.db2.gz ASDCXLYVCIWULO-CQSZACIVSA-N 1 0 262.353 2.417 10 0 CEAERO CCC1([NH2+]Cc2csc(COC)n2)CCOCC1 ZINC000677752413 541041228 /nfs/dbraw/zinc/04/12/28/541041228.db2.gz YLDYKANGOAUEAV-UHFFFAOYSA-N 1 0 270.398 2.338 10 0 CEAERO O[C@H]1CCC[NH2+][C@@H]1C(O)(c1ccccc1)c1ccccc1 ZINC000003622560 361286621 /nfs/dbraw/zinc/28/66/21/361286621.db2.gz XMOKTMYFZDJYQI-IRXDYDNUSA-N 1 0 283.371 2.035 10 0 CEAERO CCOCCC1(CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CCCC1 ZINC000237040682 370683520 /nfs/dbraw/zinc/68/35/20/370683520.db2.gz OJXKNXRAPDOPNF-ZIAGYGMSSA-N 1 0 282.428 2.217 10 0 CEAERO CCC[C@H]([NH3+])C(=O)NCc1ccc(Cl)cc1OCC ZINC000182702807 189332337 /nfs/dbraw/zinc/33/23/37/189332337.db2.gz QFJZJTYOVTVUMN-LBPRGKRZSA-N 1 0 284.787 2.482 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCC2(c3ccc(F)cc3)CCC2)C1 ZINC000154140849 366760013 /nfs/dbraw/zinc/76/00/13/366760013.db2.gz JZPZSJHQDWZVHP-IUODEOHRSA-N 1 0 290.382 2.491 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000234426628 283670686 /nfs/dbraw/zinc/67/06/86/283670686.db2.gz APUMFJGEPZBHDT-UWJCENJNSA-N 1 0 264.413 2.317 10 0 CEAERO CCC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)NC(C)C)cc1C ZINC000155066680 366804905 /nfs/dbraw/zinc/80/49/05/366804905.db2.gz HFHDLXYGIOCWOF-ZDUSSCGKSA-N 1 0 291.395 2.199 10 0 CEAERO [NH3+]C[C@@H]1CCCN1Cc1cccc(Br)c1 ZINC000019843286 361561606 /nfs/dbraw/zinc/56/16/06/361561606.db2.gz VHDDVVGKGHHBHQ-LBPRGKRZSA-N 1 0 269.186 2.372 10 0 CEAERO Cc1nc(C)c(CN(C[C@H]2CCC[NH2+]2)C2CC2)s1 ZINC000301907662 201257133 /nfs/dbraw/zinc/25/71/33/201257133.db2.gz PVLDESKLHKMVIV-GFCCVEGCSA-N 1 0 265.426 2.476 10 0 CEAERO C[NH2+]C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000032110192 361728477 /nfs/dbraw/zinc/72/84/77/361728477.db2.gz VIWJGZPXOWECCN-OAHLLOKOSA-N 1 0 257.333 2.313 10 0 CEAERO c1ccc(-c2nnc3sc(C4CC[NH2+]CC4)nn32)cc1 ZINC000032131050 361731175 /nfs/dbraw/zinc/73/11/75/361731175.db2.gz LFVDKQCBZSEXNC-UHFFFAOYSA-N 1 0 285.376 2.320 10 0 CEAERO OC1CC(C[NH2+]Cc2sccc2Br)C1 ZINC000084449155 363811485 /nfs/dbraw/zinc/81/14/85/363811485.db2.gz IOEXBJIBEARKKZ-UHFFFAOYSA-N 1 0 276.199 2.371 10 0 CEAERO O[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc2c(c1)CCO2 ZINC000088101927 363877944 /nfs/dbraw/zinc/87/79/44/363877944.db2.gz NXWPOBRVCVJUPA-HUUCEWRRSA-N 1 0 261.365 2.057 10 0 CEAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000089163698 363943153 /nfs/dbraw/zinc/94/31/53/363943153.db2.gz IWNFXBIOTRVJIO-ZFWWWQNUSA-N 1 0 271.364 2.327 10 0 CEAERO O=C(C[C@@H]1CC[NH2+]C1)Nc1cccc2cnccc21 ZINC000089741927 363997377 /nfs/dbraw/zinc/99/73/77/363997377.db2.gz SUBZDGVPTWVVBP-NSHDSACASA-N 1 0 255.321 2.173 10 0 CEAERO CO[C@H](C)c1cccc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)c1 ZINC000237184740 370698373 /nfs/dbraw/zinc/69/83/73/370698373.db2.gz WENQHELSIOUAHD-RAIGVLPGSA-N 1 0 262.353 2.460 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cccc(Cl)n1 ZINC000092627438 364089352 /nfs/dbraw/zinc/08/93/52/364089352.db2.gz PRDDTHYFUILKQG-NSHDSACASA-N 1 0 281.787 2.291 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1n[nH]c2ccccc21 ZINC000092667291 364096879 /nfs/dbraw/zinc/09/68/79/364096879.db2.gz AVMUOBFPWOXJJJ-GFCCVEGCSA-N 1 0 286.379 2.119 10 0 CEAERO Cc1ccc(N2CCC[N@H+](Cc3ncccc3C)CC2)nn1 ZINC000093172356 364146563 /nfs/dbraw/zinc/14/65/63/364146563.db2.gz JQEHBOBCJNZCGX-UHFFFAOYSA-N 1 0 297.406 2.201 10 0 CEAERO COc1c(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c(C)nn1C ZINC000093442032 364180908 /nfs/dbraw/zinc/18/09/08/364180908.db2.gz OZJHDMMRVQWKJC-BETUJISGSA-N 1 0 263.385 2.359 10 0 CEAERO C[C@H](OCc1ccccc1)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638819063 370774410 /nfs/dbraw/zinc/77/44/10/370774410.db2.gz RTQZIQNVENMORL-HOCLYGCPSA-N 1 0 290.407 2.322 10 0 CEAERO O[C@@H](CCN1CC[N@@H+]2CCCC[C@@H]2C1)c1ccccc1 ZINC000094443027 364276032 /nfs/dbraw/zinc/27/60/32/364276032.db2.gz UJBQPABTRJGAOI-SJORKVTESA-N 1 0 274.408 2.280 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cnc(Cl)s1 ZINC000094342846 364269610 /nfs/dbraw/zinc/26/96/10/364269610.db2.gz SHTSFNXDHZCVLX-NXEZZACHSA-N 1 0 271.817 2.465 10 0 CEAERO Fc1ccc(-c2csc(N[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000334993430 364322149 /nfs/dbraw/zinc/32/21/49/364322149.db2.gz QVKFYDKPZUSMAQ-LLVKDONJSA-N 1 0 263.341 2.145 10 0 CEAERO CCOc1nc2ccccc2nc1OC[C@H]1CCC[NH2+]1 ZINC000095069731 364329663 /nfs/dbraw/zinc/32/96/63/364329663.db2.gz FZXUBJJDOOWWEO-LLVKDONJSA-N 1 0 273.336 2.159 10 0 CEAERO CCOc1nc2ccccc2nc1N1CCC([NH2+]C)CC1 ZINC000095069686 364329915 /nfs/dbraw/zinc/32/99/15/364329915.db2.gz WJFBDURYGMZUII-UHFFFAOYSA-N 1 0 286.379 2.217 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1Cc1cnc(Cl)nc1Cl ZINC000095072448 364332438 /nfs/dbraw/zinc/33/24/38/364332438.db2.gz IPQIODRMNMVMKO-VIFPVBQESA-N 1 0 275.183 2.097 10 0 CEAERO Nc1nc2ccccc2nc1OCCC[C@@H]1CCC[NH2+]C1 ZINC000095072200 364332464 /nfs/dbraw/zinc/33/24/64/364332464.db2.gz DVNQURMFLUMBPY-LBPRGKRZSA-N 1 0 286.379 2.371 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+]Cc2cccnc2)C1 ZINC000095083973 364335488 /nfs/dbraw/zinc/33/54/88/364335488.db2.gz QKWFUCCCHPAYKJ-CQSZACIVSA-N 1 0 291.395 2.428 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H](CCO)[NH2+]C2CC2)C1 ZINC000095084709 364335644 /nfs/dbraw/zinc/33/56/44/364335644.db2.gz PSGLTJIXVJZIHG-GXTWGEPZSA-N 1 0 298.427 2.137 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+]Cc2ccccn2)C1 ZINC000095083971 364335871 /nfs/dbraw/zinc/33/58/71/364335871.db2.gz FUAKTACZTBFCQM-CYBMUJFWSA-N 1 0 291.395 2.428 10 0 CEAERO Cc1noc(C)c1CNc1[nH]c2ccc(N)cc2[nH+]1 ZINC000094771288 364293696 /nfs/dbraw/zinc/29/36/96/364293696.db2.gz DKUKKOGUMCWWLN-UHFFFAOYSA-N 1 0 257.297 2.362 10 0 CEAERO Cc1ccc([C@@H](C)[NH2+]C2CCN(C(N)=O)CC2)cc1F ZINC000094952551 364314841 /nfs/dbraw/zinc/31/48/41/364314841.db2.gz VMGLCYOQWUVHHF-LLVKDONJSA-N 1 0 279.359 2.328 10 0 CEAERO COC(=O)c1cccnc1C[N@H+](C)[C@@H](C)C1(C)CC1 ZINC000340279411 366831787 /nfs/dbraw/zinc/83/17/87/366831787.db2.gz QSFVNGPLSJQXBA-NSHDSACASA-N 1 0 262.353 2.489 10 0 CEAERO CCC1(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)CCC1 ZINC000158969209 366863482 /nfs/dbraw/zinc/86/34/82/366863482.db2.gz OQRDKCZILUISOJ-QWHCGFSZSA-N 1 0 252.402 2.412 10 0 CEAERO CC(C)CCO[C@H](C)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158987019 366865798 /nfs/dbraw/zinc/86/57/98/366865798.db2.gz UHBNLBDQRBOZBY-ZNMIVQPWSA-N 1 0 284.444 2.283 10 0 CEAERO COCC[NH+](CCOC)Cc1ccc2ccccc2n1 ZINC000102679352 364606312 /nfs/dbraw/zinc/60/63/12/364606312.db2.gz FUNCYCGESYBFSL-UHFFFAOYSA-N 1 0 274.364 2.330 10 0 CEAERO COc1cc(OCC[NH+]2CCCCC2)ccc1N ZINC000104248097 364688515 /nfs/dbraw/zinc/68/85/15/364688515.db2.gz ZBLCEAIMVHHMOC-UHFFFAOYSA-N 1 0 250.342 2.142 10 0 CEAERO CCn1cnnc1[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000103475504 364659345 /nfs/dbraw/zinc/65/93/45/364659345.db2.gz JHZSZOOXXMWQGZ-ZDUSSCGKSA-N 1 0 271.368 2.073 10 0 CEAERO CC(C)[C@@H](C)NC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000103507584 364662123 /nfs/dbraw/zinc/66/21/23/364662123.db2.gz YMBCFGXTGVKLEE-GFCCVEGCSA-N 1 0 255.406 2.014 10 0 CEAERO CN1CCC[C@@H]([NH2+]Cc2ccnc3ccccc23)C1 ZINC000111728620 364755463 /nfs/dbraw/zinc/75/54/63/364755463.db2.gz IIPLMZAAUUWBSA-CQSZACIVSA-N 1 0 255.365 2.419 10 0 CEAERO CC[C@@H](C)CN(C)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000111836878 364763996 /nfs/dbraw/zinc/76/39/96/364763996.db2.gz YVYRILBVVCLCSV-CHWSQXEVSA-N 1 0 255.406 2.158 10 0 CEAERO COc1cc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)ccc1C ZINC000113227875 364876618 /nfs/dbraw/zinc/87/66/18/364876618.db2.gz HXLVGQIOORKBOM-DZGCQCFKSA-N 1 0 288.391 2.312 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc2ccccc2[nH]c1=O ZINC000113269637 364882307 /nfs/dbraw/zinc/88/23/07/364882307.db2.gz MCCFUZZLJMOFAJ-CZUORRHYSA-N 1 0 297.402 2.197 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc(F)c1 ZINC000113587991 364906678 /nfs/dbraw/zinc/90/66/78/364906678.db2.gz MZENZWDKMUONIV-SWLSCSKDSA-N 1 0 291.370 2.204 10 0 CEAERO Clc1ccc(CN2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000113711533 364910009 /nfs/dbraw/zinc/91/00/09/364910009.db2.gz SIEWCDPRYDZHIL-GFCCVEGCSA-N 1 0 251.761 2.015 10 0 CEAERO [NH3+]C[C@@H]1CN(c2ncccc2F)C[C@H]1c1ccccc1 ZINC000335604715 212317237 /nfs/dbraw/zinc/31/72/37/212317237.db2.gz PQHQHCYVSRJLDE-KGLIPLIRSA-N 1 0 271.339 2.399 10 0 CEAERO COC[C@H](C)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000113898524 364916953 /nfs/dbraw/zinc/91/69/53/364916953.db2.gz HTGDMBRTSFXEDX-XHSDSOJGSA-N 1 0 296.455 2.382 10 0 CEAERO C[C@H]([NH2+]CC[C@@H]1CCS(=O)(=O)C1)c1cccs1 ZINC000680404128 541409354 /nfs/dbraw/zinc/40/93/54/541409354.db2.gz AMXRCDQEOSWFIN-WDEREUQCSA-N 1 0 273.423 2.224 10 0 CEAERO CC(C)c1cccc(OCC(=O)N[C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000193536584 189644849 /nfs/dbraw/zinc/64/48/49/189644849.db2.gz ZUMSAGYGFKWAPA-CJNGLKHVSA-N 1 0 290.407 2.446 10 0 CEAERO CNC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000114482679 364947357 /nfs/dbraw/zinc/94/73/57/364947357.db2.gz CYMQWEMHFVGXCG-INIZCTEOSA-N 1 0 298.390 2.497 10 0 CEAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(Cl)cc1F ZINC000335768413 364954085 /nfs/dbraw/zinc/95/40/85/364954085.db2.gz GKXFCISJWBAKTJ-PRHODGIISA-N 1 0 270.735 2.236 10 0 CEAERO Cc1n[nH]c(C)c1NC(=O)CN1CCC[C@H]1c1ccco1 ZINC000116299036 365050115 /nfs/dbraw/zinc/05/01/15/365050115.db2.gz WODADKFSZBKJDS-LBPRGKRZSA-N 1 0 288.351 2.395 10 0 CEAERO Cc1ccc(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)c(C)c1 ZINC000118787104 365179456 /nfs/dbraw/zinc/17/94/56/365179456.db2.gz IFHBOTTVGKDWTM-CQSZACIVSA-N 1 0 291.395 2.098 10 0 CEAERO CC(C)CCn1cccc1C[NH2+][C@@H]1CCc2ncnn2C1 ZINC000119120558 365221106 /nfs/dbraw/zinc/22/11/06/365221106.db2.gz DSOQXDYCHOOREM-CQSZACIVSA-N 1 0 287.411 2.230 10 0 CEAERO CCC1(C[N@@H+]2CC[C@@]3(CCOC3)C2)CCOCC1 ZINC000335982132 365250699 /nfs/dbraw/zinc/25/06/99/365250699.db2.gz MVQNDVHKNRBEQL-OAHLLOKOSA-N 1 0 253.386 2.306 10 0 CEAERO O=C(N1CCC([C@H]2CCCO2)CC1)C12CCC[NH+]1CCC2 ZINC000336010555 365287790 /nfs/dbraw/zinc/28/77/90/365287790.db2.gz ASZHTFQMLRMZQM-OAHLLOKOSA-N 1 0 292.423 2.032 10 0 CEAERO O=C(C[C@@H]1CC[NH2+]C1)N[C@@H]1CCCc2ccccc21 ZINC000089741610 283860025 /nfs/dbraw/zinc/86/00/25/283860025.db2.gz MSCTUFRIPCGALF-SWLSCSKDSA-N 1 0 258.365 2.180 10 0 CEAERO CCC1(C[NH+]2C[C@@H](C)S(=O)[C@H](C)C2)CCOCC1 ZINC000336089305 365394132 /nfs/dbraw/zinc/39/41/32/365394132.db2.gz YMXZUEYNTAJQGD-CHWSQXEVSA-N 1 0 273.442 2.035 10 0 CEAERO CCC[C@H](C(=O)NCc1ccnc(OC(C)C)c1)[NH+](C)C ZINC000120412428 365421380 /nfs/dbraw/zinc/42/13/80/365421380.db2.gz SOLHZXPUPVUPLG-CQSZACIVSA-N 1 0 293.411 2.215 10 0 CEAERO CC[C@@H]1CN(Cc2ccc(F)c(C)c2)CC[N@@H+]1C[C@@H](C)O ZINC000120718180 365463876 /nfs/dbraw/zinc/46/38/76/365463876.db2.gz MKIMFKJSTJGCOV-GDBMZVCRSA-N 1 0 294.414 2.411 10 0 CEAERO C[NH+](C)C[C@@H]1CN(CCCC2CCCC2)CCO1 ZINC000120610888 365449381 /nfs/dbraw/zinc/44/93/81/365449381.db2.gz NAEACGXOIBTNDE-OAHLLOKOSA-N 1 0 254.418 2.219 10 0 CEAERO CCC[C@H](C(=O)NCc1cc(F)ccc1F)[NH+](C)C ZINC000162021553 367131611 /nfs/dbraw/zinc/13/16/11/367131611.db2.gz NJOODEFSCQXTEW-CYBMUJFWSA-N 1 0 270.323 2.311 10 0 CEAERO CCC[C@H](C(=O)N[C@@H](C)Cc1c(C)noc1C)[NH+](C)C ZINC000162673748 367178233 /nfs/dbraw/zinc/17/82/33/367178233.db2.gz BDVJFPVRWDWQJZ-IINYFYTJSA-N 1 0 281.400 2.069 10 0 CEAERO C[C@@H]1CN(C(=O)CCSc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000638884641 370819328 /nfs/dbraw/zinc/81/93/28/370819328.db2.gz DFQGRUMJCQPFGC-VXGBXAGGSA-N 1 0 296.411 2.361 10 0 CEAERO Cc1cc(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)ccc1Cl ZINC000638890439 370823946 /nfs/dbraw/zinc/82/39/46/370823946.db2.gz RRGSAIKPFZJYKA-PWSUYJOCSA-N 1 0 266.772 2.315 10 0 CEAERO CCC[C@H](C(=O)N[C@H](C)c1nc(C(C)(C)C)no1)[NH+](C)C ZINC000162354013 367154955 /nfs/dbraw/zinc/15/49/55/367154955.db2.gz YRVKFZDSXJKIAT-GHMZBOCLSA-N 1 0 296.415 2.275 10 0 CEAERO Cc1cc(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)ccc1Cl ZINC000638890440 370824212 /nfs/dbraw/zinc/82/42/12/370824212.db2.gz RRGSAIKPFZJYKA-ZYHUDNBSSA-N 1 0 266.772 2.315 10 0 CEAERO C[C@H]1CN(C(=O)C2(c3ccccc3)CCC2)C[C@H]1C[NH3+] ZINC000638891862 370824988 /nfs/dbraw/zinc/82/49/88/370824988.db2.gz VDSLURUZSWNASF-UONOGXRCSA-N 1 0 272.392 2.162 10 0 CEAERO CC[C@](C)(O)C[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000162481420 367162709 /nfs/dbraw/zinc/16/27/09/367162709.db2.gz FVQGMFAJFCMRAG-CVEARBPZSA-N 1 0 263.381 2.091 10 0 CEAERO Cc1[nH]c2ccccc2c1C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638906746 370833234 /nfs/dbraw/zinc/83/32/34/370833234.db2.gz YPYWCUYQVONKSD-PWSUYJOCSA-N 1 0 271.364 2.143 10 0 CEAERO CC[C@@H](C(=O)N1CCC[C@H](c2nc(C)cs2)C1)[NH+](C)C ZINC000163788051 367265137 /nfs/dbraw/zinc/26/51/37/367265137.db2.gz BXEQNENAKLJVEC-STQMWFEESA-N 1 0 295.452 2.498 10 0 CEAERO [NH3+]CC[C@H]1CCCN(c2ccc(C(F)(F)F)nn2)C1 ZINC000167117324 367336111 /nfs/dbraw/zinc/33/61/11/367336111.db2.gz CXLQCJNLQBPLRH-SECBINFHSA-N 1 0 274.290 2.061 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc3scnc3c2)C1 ZINC000171083740 367474659 /nfs/dbraw/zinc/47/46/59/367474659.db2.gz MQROOHBXZZWWPB-LLVKDONJSA-N 1 0 290.392 2.464 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)c2cccc3ncccc32)C1 ZINC000170856415 367433219 /nfs/dbraw/zinc/43/32/19/367433219.db2.gz FKQDKXYYNPLTDV-LBPRGKRZSA-N 1 0 269.348 2.011 10 0 CEAERO C[C@@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccc(F)c(F)c1 ZINC000170861257 367433741 /nfs/dbraw/zinc/43/37/41/367433741.db2.gz GXOVXZPZPUMBNA-ZYHUDNBSSA-N 1 0 297.349 2.371 10 0 CEAERO Cc1ccccc1C(C)(C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170864238 367434847 /nfs/dbraw/zinc/43/48/47/367434847.db2.gz XMZKHFCRLFAEHL-CQSZACIVSA-N 1 0 274.408 2.435 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(Cl)s2)C1 ZINC000170862349 367434934 /nfs/dbraw/zinc/43/49/34/367434934.db2.gz NJEKTPMQJBVAIK-MRVPVSSYSA-N 1 0 258.774 2.178 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc3ncccc3c2)C1 ZINC000170864489 367435734 /nfs/dbraw/zinc/43/57/34/367435734.db2.gz OXZKUEICISQGFK-CQSZACIVSA-N 1 0 269.348 2.011 10 0 CEAERO COc1ccccc1[C@@H](C)CC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000171303152 367519401 /nfs/dbraw/zinc/51/94/01/367519401.db2.gz PCTGCZCDZMEFKN-KBPBESRZSA-N 1 0 290.407 2.351 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)[nH]2)C1 ZINC000171777963 367614058 /nfs/dbraw/zinc/61/40/58/367614058.db2.gz YKCBLUQXJYBADS-CQSZACIVSA-N 1 0 283.375 2.458 10 0 CEAERO C[C@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1cccs1 ZINC000171898098 367635898 /nfs/dbraw/zinc/63/58/98/367635898.db2.gz WRPWMCZQIBTLSI-NWDGAFQWSA-N 1 0 279.409 2.299 10 0 CEAERO CC[C@@H](O)CN1CC[NH+]([C@H](C)CCc2ccccc2)CC1 ZINC000172355762 367724620 /nfs/dbraw/zinc/72/46/20/367724620.db2.gz JEQDNCKYCWVYGO-SJLPKXTDSA-N 1 0 290.451 2.396 10 0 CEAERO 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CCCCOC[C@H](O)C[NH2+][C@@H](C)c1ncc(C)s1 ZINC000193242935 369910044 /nfs/dbraw/zinc/91/00/44/369910044.db2.gz NBMVIOZPSNLKSK-NWDGAFQWSA-N 1 0 272.414 2.280 10 0 CEAERO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CCCn1ccnc1 ZINC000183162311 284189719 /nfs/dbraw/zinc/18/97/19/284189719.db2.gz LXOTVEZEZVELPZ-ILXRZTDVSA-N 1 0 291.395 2.079 10 0 CEAERO CSC1(CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000194663558 370063297 /nfs/dbraw/zinc/06/32/97/370063297.db2.gz KRMKBLWEQPYGAC-CQSZACIVSA-N 1 0 292.448 2.171 10 0 CEAERO CC[NH2+][C@H](C)C(=O)N[C@@H](C)c1cc(C)ccc1OC ZINC000637892930 370151997 /nfs/dbraw/zinc/15/19/97/370151997.db2.gz DQBPGRGXRFVUPY-NWDGAFQWSA-N 1 0 264.369 2.179 10 0 CEAERO COc1cc(OCc2ccccc2)ccc1[C@@H](O)C[NH3+] ZINC000205473857 370154919 /nfs/dbraw/zinc/15/49/19/370154919.db2.gz NXRADLLNWBRMNY-HNNXBMFYSA-N 1 0 273.332 2.266 10 0 CEAERO C[C@H](O)C1CC[NH+](Cc2cccc3c2NCC3)CC1 ZINC000220369015 370231990 /nfs/dbraw/zinc/23/19/90/370231990.db2.gz MYUDNMXEZONHLA-LBPRGKRZSA-N 1 0 260.381 2.247 10 0 CEAERO O[C@@]12CCCC[C@H]1C[N@H+](Cc1ccns1)CC2 ZINC000638106601 370303341 /nfs/dbraw/zinc/30/33/41/370303341.db2.gz QCROYJJMHSLJGT-WCQYABFASA-N 1 0 252.383 2.270 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@@H](O)c1ccccc1F ZINC000226642464 370350442 /nfs/dbraw/zinc/35/04/42/370350442.db2.gz NAJKBOLWKZSLCG-XJKCOSOUSA-N 1 0 278.371 2.028 10 0 CEAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cscc3Cl)C[C@@H]12 ZINC000638169723 370353639 /nfs/dbraw/zinc/35/36/39/370353639.db2.gz YLOIECNDVJGYOF-VAOFZXAKSA-N 1 0 270.785 2.211 10 0 CEAERO CC[C@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)c1nccs1 ZINC000227103022 370359857 /nfs/dbraw/zinc/35/98/57/370359857.db2.gz XBESTWWHGJLOBJ-MXWKQRLJSA-N 1 0 267.398 2.228 10 0 CEAERO CCC[C@H]1C[C@H]1NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000227806485 370384774 /nfs/dbraw/zinc/38/47/74/370384774.db2.gz KTGHGAXWDJAKBP-HZUKXOBISA-N 1 0 285.391 2.343 10 0 CEAERO CC[N@H+](C[C@H]1CCCO1)C[C@@](C)(O)c1ccccc1 ZINC000226149552 370329145 /nfs/dbraw/zinc/32/91/45/370329145.db2.gz ZEBKUEYOMKPUSP-HZPDHXFCSA-N 1 0 263.381 2.395 10 0 CEAERO CC[C@@H]1CC[N@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000228275440 370400553 /nfs/dbraw/zinc/40/05/53/370400553.db2.gz ZDUOJNXKTLZJBM-GDBMZVCRSA-N 1 0 263.381 2.296 10 0 CEAERO COCc1cccc(C[NH2+][C@H]2CCCC[C@H]2CO)c1 ZINC000230664283 370463499 /nfs/dbraw/zinc/46/34/99/370463499.db2.gz LKZMKFGDGYCRNZ-HOTGVXAUSA-N 1 0 263.381 2.474 10 0 CEAERO COCc1cccc(C[NH2+][C@H]2CCCC[C@@H]2CO)c1 ZINC000230664274 370463684 /nfs/dbraw/zinc/46/36/84/370463684.db2.gz LKZMKFGDGYCRNZ-CVEARBPZSA-N 1 0 263.381 2.474 10 0 CEAERO Cc1nn(C)cc1N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000230944918 370471281 /nfs/dbraw/zinc/47/12/81/370471281.db2.gz HTFPKYXUNRUKQX-OAHLLOKOSA-N 1 0 270.380 2.415 10 0 CEAERO CN(C(=O)c1ccc2ccccc2n1)[C@H]1CCC[NH2+]CC1 ZINC000231468706 370480915 /nfs/dbraw/zinc/48/09/15/370480915.db2.gz VMMKFCSLLFGYTM-AWEZNQCLSA-N 1 0 283.375 2.449 10 0 CEAERO Cc1cc(Br)cc(NC(=O)[C@@H](C)[NH3+])c1 ZINC000232069073 370500192 /nfs/dbraw/zinc/50/01/92/370500192.db2.gz SWBLEFMPERQMIF-SSDOTTSWSA-N 1 0 257.131 2.043 10 0 CEAERO Cc1ccc(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)cc1Br ZINC000235631925 370571430 /nfs/dbraw/zinc/57/14/30/370571430.db2.gz FYPNMMLLPLCVLD-CABZTGNLSA-N 1 0 297.196 2.177 10 0 CEAERO Cc1cccc(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)c1Cl ZINC000235658470 370572634 /nfs/dbraw/zinc/57/26/34/370572634.db2.gz KOZQMFUVTCBVEI-ONGXEEELSA-N 1 0 252.745 2.068 10 0 CEAERO C[C@H]1CN(CCOc2ccc3ccccc3c2)C[C@@H]1[NH3+] ZINC000235704453 370574507 /nfs/dbraw/zinc/57/45/07/370574507.db2.gz DGXWAWFNRRUCSH-GUYCJALGSA-N 1 0 270.376 2.498 10 0 CEAERO CCC(NC(=O)C[C@@H]([NH3+])C(C)C)(C1CC1)C1CC1 ZINC000638508846 370579893 /nfs/dbraw/zinc/57/98/93/370579893.db2.gz IWLYMRJORPWXJA-CYBMUJFWSA-N 1 0 252.402 2.445 10 0 CEAERO C[C@@H]1CC(F)(F)CCN1C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000638628896 370642554 /nfs/dbraw/zinc/64/25/54/370642554.db2.gz DDLPGVOMXGETPU-MXWKQRLJSA-N 1 0 260.328 2.008 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCc1ccccc1 ZINC000247017252 371046833 /nfs/dbraw/zinc/04/68/33/371046833.db2.gz FZFAWXKVPKEMEF-HOCLYGCPSA-N 1 0 272.392 2.314 10 0 CEAERO CC[C@H](C)[C@H](C)NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246823688 371017390 /nfs/dbraw/zinc/01/73/90/371017390.db2.gz DOGBCEWXXZHJLS-CRWXNKLISA-N 1 0 269.433 2.449 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1sccc1OC ZINC000246868156 371022352 /nfs/dbraw/zinc/02/23/52/371022352.db2.gz DSEGEHKKDOJSSF-NEPJUHHUSA-N 1 0 294.420 2.456 10 0 CEAERO C[C@@H](C[N@@H+]1CCO[C@@H](Cn2cccn2)C1)c1ccccc1 ZINC000246930157 371033206 /nfs/dbraw/zinc/03/32/06/371033206.db2.gz BSLQUQHFHNFPTO-DOTOQJQBSA-N 1 0 285.391 2.388 10 0 CEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC000246961292 371037828 /nfs/dbraw/zinc/03/78/28/371037828.db2.gz FUMUAKRFVMDBJN-IINYFYTJSA-N 1 0 282.334 2.423 10 0 CEAERO CCCSCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1CC ZINC000246963470 371038653 /nfs/dbraw/zinc/03/86/53/371038653.db2.gz 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2.017 10 0 CEAERO Cc1cc([C@@H]([NH3+])CCCCC(N)=O)c(F)cc1F ZINC000094069126 184753376 /nfs/dbraw/zinc/75/33/76/184753376.db2.gz SFODLXVZFUXWIG-LBPRGKRZSA-N 1 0 256.296 2.319 10 0 CEAERO CC(C)C[NH2+]Cc1ccc(OCc2ccno2)cn1 ZINC000094212168 184763842 /nfs/dbraw/zinc/76/38/42/184763842.db2.gz VNOJCIGUNRJXJZ-UHFFFAOYSA-N 1 0 261.325 2.394 10 0 CEAERO CCCNc1snnc1CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000094465221 184804880 /nfs/dbraw/zinc/80/48/80/184804880.db2.gz FNNPZFCYYKTFJI-NWDGAFQWSA-N 1 0 295.456 2.029 10 0 CEAERO CC[C@@H](CC[NH3+])CCc1nnc2cc(C)nc(C)n21 ZINC000094258623 184770569 /nfs/dbraw/zinc/77/05/69/184770569.db2.gz CICSLSYUAFIKQT-GFCCVEGCSA-N 1 0 261.373 2.049 10 0 CEAERO CCC[C@@H](C[NH3+])Nc1ccc(C(=O)OC)c(F)c1F ZINC000094272224 184774075 /nfs/dbraw/zinc/77/40/75/184774075.db2.gz UJZWUBLAFMDDSW-QMMMGPOBSA-N 1 0 272.295 2.291 10 0 CEAERO COC(=O)c1ccc(NCC[C@@H]2CC[NH2+]C2)c(F)c1F ZINC000094272104 184774646 /nfs/dbraw/zinc/77/46/46/184774646.db2.gz XTGLUDWGKUKKCJ-VIFPVBQESA-N 1 0 284.306 2.163 10 0 CEAERO CCC[NH2+][C@@H]1[C@@H](SCCS(C)(=O)=O)CCC1(C)C ZINC000094312496 184778307 /nfs/dbraw/zinc/77/83/07/184778307.db2.gz VLZPCGVISZWLKX-NWDGAFQWSA-N 1 0 293.498 2.321 10 0 CEAERO [NH3+]Cc1cc(F)c(OCc2ccncc2)c(F)c1 ZINC000094346102 184786612 /nfs/dbraw/zinc/78/66/12/184786612.db2.gz RCZHOFZZNSVPSD-UHFFFAOYSA-N 1 0 250.248 2.398 10 0 CEAERO Cc1ccc([C@H](O)[C@H](C)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000094464038 184805242 /nfs/dbraw/zinc/80/52/42/184805242.db2.gz YKXQBCLIHHMCAV-USXIJHARSA-N 1 0 274.408 2.197 10 0 CEAERO CC[N@H+](CCC(N)=S)[C@@H]1CCOC2(CCC2)C1 ZINC000094375882 184791208 /nfs/dbraw/zinc/79/12/08/184791208.db2.gz ARSNZANRQPYLSC-LLVKDONJSA-N 1 0 256.415 2.086 10 0 CEAERO CCC[NH2+]Cc1cn([C@@H]2CCO[C@]3(CCOC3)C2)nc1C ZINC000094414642 184794634 /nfs/dbraw/zinc/79/46/34/184794634.db2.gz HFXPUFVRFIVGFE-HZPDHXFCSA-N 1 0 293.411 2.202 10 0 CEAERO CCC[NH2+]C[C@@H](O)[C@H]1CCOC2(CCSCC2)C1 ZINC000094418449 184795086 /nfs/dbraw/zinc/79/50/86/184795086.db2.gz QIJAYBSRTDXESO-QWHCGFSZSA-N 1 0 273.442 2.039 10 0 CEAERO CC1CC[NH+](C[C@H]2[C@@H](O)C(C)(C)OC2(C)C)CC1 ZINC000094430159 184797012 /nfs/dbraw/zinc/79/70/12/184797012.db2.gz ZOZLFXSMEOIDMK-QWHCGFSZSA-N 1 0 255.402 2.283 10 0 CEAERO CC1(C)OC(C)(C)[C@@H](C[N@@H+]2CCCSCC2)C1=O ZINC000094429218 184797535 /nfs/dbraw/zinc/79/75/35/184797535.db2.gz KIHJDTWEBKYSOR-NSHDSACASA-N 1 0 271.426 2.198 10 0 CEAERO C[C@H]1[NH2+]CC[C@@H]1c1nc(-c2ccc(Cl)cn2)no1 ZINC000094842375 184879298 /nfs/dbraw/zinc/87/92/98/184879298.db2.gz OEDFBXPGBCMXPF-APPZFPTMSA-N 1 0 264.716 2.250 10 0 CEAERO CCC[NH2+]Cc1ccc(COCCCOC)nc1 ZINC000094759318 184855128 /nfs/dbraw/zinc/85/51/28/184855128.db2.gz YOPDXOJUQRLWNS-UHFFFAOYSA-N 1 0 252.358 2.134 10 0 CEAERO Cn1c(C[C@H]([NH3+])[C@@]2(C)CCCO2)nc2ccccc21 ZINC000094782407 184862791 /nfs/dbraw/zinc/86/27/91/184862791.db2.gz OVBPCQGBAJRQOV-DZGCQCFKSA-N 1 0 259.353 2.012 10 0 CEAERO COc1ccc(C[C@H]([NH3+])[C@@]2(C)CCCO2)cc1F ZINC000094782555 184862866 /nfs/dbraw/zinc/86/28/66/184862866.db2.gz QZWIZFWNKXIQLP-UONOGXRCSA-N 1 0 253.317 2.273 10 0 CEAERO CCCN[C@](C)(C[N@@H+]1CCC(C)(C)C1)C(=O)OCC ZINC000094809684 184870806 /nfs/dbraw/zinc/87/08/06/184870806.db2.gz DUJBJKYDZXAKEG-OAHLLOKOSA-N 1 0 270.417 2.040 10 0 CEAERO CCOC1CC[NH+]([C@]2(CN)CCCS[C@@H]2C)CC1 ZINC000094478832 184807995 /nfs/dbraw/zinc/80/79/95/184807995.db2.gz AXUJZSJENBXEPM-OCCSQVGLSA-N 1 0 272.458 2.100 10 0 CEAERO COc1cccc(N2C(=[NH2+])NC[C@]23CCCS[C@H]3C)c1 ZINC000094481403 184808933 /nfs/dbraw/zinc/80/89/33/184808933.db2.gz UACNVJBACKTRKY-NHYWBVRUSA-N 1 0 291.420 2.484 10 0 CEAERO CCS(=O)(=O)CCC[C@H](CCC(F)(F)F)[NH2+]C ZINC000094493070 184810054 /nfs/dbraw/zinc/81/00/54/184810054.db2.gz IXBDRNGXIRJXBG-SECBINFHSA-N 1 0 275.336 2.132 10 0 CEAERO [NH3+][C@@H](Cc1ccc(F)cc1Cl)[C@@H]1CSCCO1 ZINC000094502460 184811290 /nfs/dbraw/zinc/81/12/90/184811290.db2.gz PEUGGIIBNAQJEM-RYUDHWBXSA-N 1 0 275.776 2.481 10 0 CEAERO CC[NH2+][C@H]([C@@H]1CCOC2(CCC2)C1)[C@@H]1CSCCO1 ZINC000094504166 184811650 /nfs/dbraw/zinc/81/16/50/184811650.db2.gz ATFNYUKAVGGNAM-HZSPNIEDSA-N 1 0 285.453 2.446 10 0 CEAERO C[NH2+][C@@H]1CCCC[C@@H]1c1nc([C@@H]2CSCCO2)no1 ZINC000094505825 184811952 /nfs/dbraw/zinc/81/19/52/184811952.db2.gz VIZLQNRIPTVGLL-AXFHLTTASA-N 1 0 283.397 2.120 10 0 CEAERO CCSc1ccccc1NC(=O)[C@@H]1CC[C@@H](C[NH3+])O1 ZINC000094567521 184819743 /nfs/dbraw/zinc/81/97/43/184819743.db2.gz OFVSQLIZWHGKTG-JQWIXIFHSA-N 1 0 280.393 2.243 10 0 CEAERO Cc1ccc2nc(N3CCC([C@@H]4CCC[NH2+]4)CC3)nn2c1 ZINC000094608000 184825228 /nfs/dbraw/zinc/82/52/28/184825228.db2.gz NZFAFXRPFQFNFE-AWEZNQCLSA-N 1 0 285.395 2.006 10 0 CEAERO CCN(CC1CC[NH2+]CC1)c1nc2ccc(Cl)cn2n1 ZINC000094609246 184825521 /nfs/dbraw/zinc/82/55/21/184825521.db2.gz FZNYVOCJAGPCSV-UHFFFAOYSA-N 1 0 293.802 2.209 10 0 CEAERO Cc1nnc(COc2ccc(F)cc2[C@H](C)[NH3+])o1 ZINC000094619818 184828089 /nfs/dbraw/zinc/82/80/89/184828089.db2.gz HDENHWILUAMILV-ZETCQYMHSA-N 1 0 251.261 2.116 10 0 CEAERO CCc1ccc(C[C@@H](Cc2ccc(OC)nc2)[NH2+]C)nc1 ZINC000094632622 184829433 /nfs/dbraw/zinc/82/94/33/184829433.db2.gz DELXXFVDPUPFOH-MRXNPFEDSA-N 1 0 285.391 2.421 10 0 CEAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc(F)cc1F ZINC000094647007 184832866 /nfs/dbraw/zinc/83/28/66/184832866.db2.gz PPPPITQTFXWETD-SCZZXKLOSA-N 1 0 254.280 2.291 10 0 CEAERO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000094646887 184832890 /nfs/dbraw/zinc/83/28/90/184832890.db2.gz YJGSSEGXJQTIMK-NWDGAFQWSA-N 1 0 262.353 2.330 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(C)CCc1ccccc1 ZINC000094648652 184833894 /nfs/dbraw/zinc/83/38/94/184833894.db2.gz QVQNPEZCFOYTDK-ZFWWWQNUSA-N 1 0 260.381 2.076 10 0 CEAERO COc1ccc(C[NH2+]C(C)C)cc1O[C@H](C)[C@H](C)O ZINC000094652794 184834524 /nfs/dbraw/zinc/83/45/24/184834524.db2.gz QTUXXIZJIHMXKV-NWDGAFQWSA-N 1 0 267.369 2.341 10 0 CEAERO CCCN(CC(C)(C)C[NH3+])C(=O)c1cccnc1C ZINC000094649329 184834649 /nfs/dbraw/zinc/83/46/49/184834649.db2.gz RMPNAJKUKMKUTB-UHFFFAOYSA-N 1 0 263.385 2.227 10 0 CEAERO CCC[NH2+][C@@H](c1cc(OC)cc(OC)c1)C(OC)OC ZINC000094651591 184834982 /nfs/dbraw/zinc/83/49/82/184834982.db2.gz ISIVXQKJHVUUST-AWEZNQCLSA-N 1 0 283.368 2.363 10 0 CEAERO CC[NH2+][C@H](c1cc(OC)cc(OC)c1)[C@@H]1CSCCO1 ZINC000094651671 184835210 /nfs/dbraw/zinc/83/52/10/184835210.db2.gz BHPUPQLIPSGQIP-LSDHHAIUSA-N 1 0 297.420 2.486 10 0 CEAERO C[NH2+]CCc1c(C)nn(Cc2ccc(O)cc2)c1C ZINC000094689195 184839519 /nfs/dbraw/zinc/83/95/19/184839519.db2.gz FWTQDKOIAYZKAI-UHFFFAOYSA-N 1 0 259.353 2.016 10 0 CEAERO COCCOc1ccc(NC(=O)[C@H](C[NH3+])CC(C)C)cc1 ZINC000094698063 184842103 /nfs/dbraw/zinc/84/21/03/184842103.db2.gz WYYSVEIXFNRGSM-ZDUSSCGKSA-N 1 0 294.395 2.271 10 0 CEAERO COc1ccc(N(C)C(=O)[C@H](C[NH3+])CC(C)C)cc1 ZINC000094699938 184842288 /nfs/dbraw/zinc/84/22/88/184842288.db2.gz AODQHSOBWSWTBZ-LBPRGKRZSA-N 1 0 264.369 2.279 10 0 CEAERO Cc1ccc(OC[C@H](C)NC(=O)[C@@H](C[NH3+])CC(C)C)cc1 ZINC000094699350 184842444 /nfs/dbraw/zinc/84/24/44/184842444.db2.gz VVYYUBYKANNESZ-LSDHHAIUSA-N 1 0 292.423 2.500 10 0 CEAERO CN(C(=O)Cc1cccc(F)c1F)[C@H]1CCCC[C@H]1C[NH3+] ZINC000094713665 184845586 /nfs/dbraw/zinc/84/55/86/184845586.db2.gz HLBKOQQPIVZHJX-JSGCOSHPSA-N 1 0 296.361 2.483 10 0 CEAERO CCC[NH2+][C@@H](Cc1nc(C)cs1)[C@H]1CN(CC)CCO1 ZINC000094974585 184909281 /nfs/dbraw/zinc/90/92/81/184909281.db2.gz IBQDQMUXJUKVKS-UONOGXRCSA-N 1 0 297.468 2.083 10 0 CEAERO CCOc1ccc(NC(=O)c2ccccc2CC[NH3+])cn1 ZINC000094988941 184910944 /nfs/dbraw/zinc/91/09/44/184910944.db2.gz FWBKMIIECLYBNM-UHFFFAOYSA-N 1 0 285.347 2.234 10 0 CEAERO COCCCc1nnc(CC[NH2+]C(C)(C)C)s1 ZINC000095038488 184921268 /nfs/dbraw/zinc/92/12/68/184921268.db2.gz QCHWYIAAOGDLHC-UHFFFAOYSA-N 1 0 257.403 2.048 10 0 CEAERO CCCc1nc(C(=O)Nc2ccc(C[NH+](C)C)cc2)n[nH]1 ZINC000095059516 184927014 /nfs/dbraw/zinc/92/70/14/184927014.db2.gz LLFNIRCFNSPMFC-UHFFFAOYSA-N 1 0 287.367 2.071 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@@H]1CNC(=O)Cc1ccc(F)c(F)c1 ZINC000095061982 184927130 /nfs/dbraw/zinc/92/71/30/184927130.db2.gz DMPNRMGMZNRZIQ-CHWSQXEVSA-N 1 0 296.361 2.389 10 0 CEAERO CN(Cc1ccc(Cl)nc1)C[C@H]1CCCC[NH2+]1 ZINC000095070867 184932474 /nfs/dbraw/zinc/93/24/74/184932474.db2.gz FRWYNYBYTCAREA-GFCCVEGCSA-N 1 0 253.777 2.309 10 0 CEAERO [NH3+]C[C@H]1CCCN(Cc2ccc(Br)nc2)C1 ZINC000095072555 184933685 /nfs/dbraw/zinc/93/36/85/184933685.db2.gz NVZSNVNZKMKMPR-SNVBAGLBSA-N 1 0 284.201 2.015 10 0 CEAERO Cc1cccc(CN(C)[C@H](c2cccnc2)[C@@H](C)[NH3+])n1 ZINC000094911286 184890783 /nfs/dbraw/zinc/89/07/83/184890783.db2.gz RYVNIFJPCQOEQX-CJNGLKHVSA-N 1 0 270.380 2.305 10 0 CEAERO CCc1nn(CC)c(C[C@H]([NH2+]C)c2ncc[nH]2)c1Cl ZINC000094938350 184897432 /nfs/dbraw/zinc/89/74/32/184897432.db2.gz GQWGIBIYVYCHBS-JTQLQIEISA-N 1 0 281.791 2.345 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)NCCc1ccc(F)cc1C ZINC000094956003 184903675 /nfs/dbraw/zinc/90/36/75/184903675.db2.gz UGEVLESLFSGXCX-ZDUSSCGKSA-N 1 0 266.360 2.168 10 0 CEAERO CCN(Cc1nc(C(C)(C)C)cs1)C1C[NH2+]C1 ZINC000094970188 184907949 /nfs/dbraw/zinc/90/79/49/184907949.db2.gz HQZDNTKMYYDRIU-UHFFFAOYSA-N 1 0 253.415 2.234 10 0 CEAERO CCC[NH2+][C@@H](Cc1nc(C)c(C)s1)[C@H]1COCCO1 ZINC000094973625 184908883 /nfs/dbraw/zinc/90/88/83/184908883.db2.gz JWOVMFWDJNPHPI-QWHCGFSZSA-N 1 0 284.425 2.086 10 0 CEAERO O[C@H]1CCCC[C@@H]1[N@@H+]1CCOc2ccc(F)cc2C1 ZINC000336453766 285361906 /nfs/dbraw/zinc/36/19/06/285361906.db2.gz PSJYNADCIGPXOS-KBPBESRZSA-N 1 0 265.328 2.324 10 0 CEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000282218175 195541466 /nfs/dbraw/zinc/54/14/66/195541466.db2.gz DUSASSQDOASMCL-CABZTGNLSA-N 1 0 252.745 2.097 10 0 CEAERO C[C@H](CC[NH2+][C@H]1CCc2ncnn2C1)c1ccccc1 ZINC000194396763 130692154 /nfs/dbraw/zinc/69/21/54/130692154.db2.gz LYQKBWZUBJICJM-HIFRSBDPSA-N 1 0 270.380 2.376 10 0 CEAERO C[C@H]1CN(Cc2cnc(Cl)s2)C[C@H]1[NH+](C)C ZINC000251532452 131129555 /nfs/dbraw/zinc/12/95/55/131129555.db2.gz AKCIBVJQJMRQLY-WCBMZHEXSA-N 1 0 259.806 2.178 10 0 CEAERO CCc1ccc(CCNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000261617780 131157216 /nfs/dbraw/zinc/15/72/16/131157216.db2.gz AJBACYZHSKKFHX-HZPDHXFCSA-N 1 0 274.408 2.283 10 0 CEAERO CC(C)[C@@H](CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1ccccc1 ZINC000261888909 131175739 /nfs/dbraw/zinc/17/57/39/131175739.db2.gz VGYGZPYROHYYKH-OAGGEKHMSA-N 1 0 290.407 2.049 10 0 CEAERO CCC[C@@](C)([NH3+])C(=O)NCc1ccnc(O[C@H](C)CC)c1 ZINC000262101174 131191123 /nfs/dbraw/zinc/19/11/23/131191123.db2.gz CWNMPCOSYYPZAG-MLGOLLRUSA-N 1 0 293.411 2.393 10 0 CEAERO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](C)[C@@H](OC)c1ccc(F)cc1 ZINC000262526117 131229786 /nfs/dbraw/zinc/22/97/86/131229786.db2.gz GMBIYAVHSHWBSY-IDTSFGKNSA-N 1 0 296.386 2.391 10 0 CEAERO Cc1ccccc1[C@H]1C[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262619408 131242565 /nfs/dbraw/zinc/24/25/65/131242565.db2.gz HRPQJFLHAXZRBQ-YALNPMBYSA-N 1 0 284.403 2.451 10 0 CEAERO CCC[C@@](C)([NH3+])C(=O)NCc1ccc(OCC2CC2)nc1 ZINC000262718837 131254948 /nfs/dbraw/zinc/25/49/48/131254948.db2.gz XMZPVTBXTQHPNJ-MRXNPFEDSA-N 1 0 291.395 2.004 10 0 CEAERO CCC[C@](C)([NH3+])C(=O)Nc1cccc(C[S@](C)=O)c1 ZINC000262717045 131255358 /nfs/dbraw/zinc/25/53/58/131255358.db2.gz VZOBATWBZGVOQI-LIRRHRJNSA-N 1 0 282.409 2.021 10 0 CEAERO CCN1CCN(C(=O)c2coc(C[NH3+])c2)c2ccccc21 ZINC000188198254 134689358 /nfs/dbraw/zinc/68/93/58/134689358.db2.gz QHJWJAJAPRLPIP-UHFFFAOYSA-N 1 0 285.347 2.225 10 0 CEAERO C[C@H]1CN(c2cc(Br)ccc2C[NH3+])CCO1 ZINC000036670660 134820873 /nfs/dbraw/zinc/82/08/73/134820873.db2.gz LNTBJAOAAUNPTE-VIFPVBQESA-N 1 0 285.185 2.133 10 0 CEAERO C[NH+](C)C1CCN(c2nc(CO)cc3ccccc32)CC1 ZINC000040878172 134874425 /nfs/dbraw/zinc/87/44/25/134874425.db2.gz NOWVRCJKGZVCOE-UHFFFAOYSA-N 1 0 285.391 2.258 10 0 CEAERO C[C@@H]1C[C@](C[NH3+])(N2CCCc3ccccc32)CCO1 ZINC000070362775 134945749 /nfs/dbraw/zinc/94/57/49/134945749.db2.gz PZDUEZGQPIVCNA-CZUORRHYSA-N 1 0 260.381 2.336 10 0 CEAERO CC[NH2+][C@@H]1CCN(CCC(=O)NC(C)C)c2ccccc21 ZINC000071378226 134965237 /nfs/dbraw/zinc/96/52/37/134965237.db2.gz LRFZVBSALLXNGA-OAHLLOKOSA-N 1 0 289.423 2.462 10 0 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2.436 10 0 CEAERO C[C@@H]([NH3+])CSCC(=O)N1CCCc2ccccc21 ZINC000090343441 135063126 /nfs/dbraw/zinc/06/31/26/135063126.db2.gz WVPAXUVENGVKCE-LLVKDONJSA-N 1 0 264.394 2.046 10 0 CEAERO CC[NH2+]C[C@H]1CCCCN1c1ncncc1Br ZINC000090782612 135064649 /nfs/dbraw/zinc/06/46/49/135064649.db2.gz HQTBKCSSPFWKLL-SNVBAGLBSA-N 1 0 299.216 2.208 10 0 CEAERO CCC[NH2+]C[C@H]1CCCN(c2cc(OC)nc(C)n2)C1 ZINC000090787315 135064958 /nfs/dbraw/zinc/06/49/58/135064958.db2.gz ZWJQDYMDPQSJPS-CYBMUJFWSA-N 1 0 278.400 2.010 10 0 CEAERO COc1cc(N2CCC[C@H](C[NH2+]C(C)C)C2)nc(C)n1 ZINC000090787031 135065091 /nfs/dbraw/zinc/06/50/91/135065091.db2.gz LXYXCAYHGLPGSQ-CYBMUJFWSA-N 1 0 278.400 2.008 10 0 CEAERO CCOc1cc(N2CCC(CC[NH2+]C)CC2)nc(C)n1 ZINC000090787921 135065647 /nfs/dbraw/zinc/06/56/47/135065647.db2.gz IFFDMJWYAVHEOU-UHFFFAOYSA-N 1 0 278.400 2.010 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc(F)ccc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090908243 135066804 /nfs/dbraw/zinc/06/68/04/135066804.db2.gz VGHHEFRTTJPIOP-KFWWJZLASA-N 1 0 278.371 2.473 10 0 CEAERO CC[C@H]1CCCN(c2cncc(C[NH2+]C3CC3)n2)C1 ZINC000091419458 135069300 /nfs/dbraw/zinc/06/93/00/135069300.db2.gz GGFIBYZWJVYCIO-LBPRGKRZSA-N 1 0 260.385 2.355 10 0 CEAERO Cc1ccc2c(c1)CCCN2C[C@@H]1Cc2nc[nH]c2C[NH2+]1 ZINC000092798518 135077400 /nfs/dbraw/zinc/07/74/00/135077400.db2.gz GJXNJAKFABHGMR-AWEZNQCLSA-N 1 0 282.391 2.185 10 0 CEAERO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCSc2ccccc21 ZINC000092955998 135077482 /nfs/dbraw/zinc/07/74/82/135077482.db2.gz RVKGMMGNFCAJJZ-WDEREUQCSA-N 1 0 262.378 2.123 10 0 CEAERO C[NH2+]C[C@H](C)[C@H](C)N1CCN(c2cccc(C)c2)CC1 ZINC000093068437 135079179 /nfs/dbraw/zinc/07/91/79/135079179.db2.gz PRYFMRXYUCMSHF-HOTGVXAUSA-N 1 0 275.440 2.361 10 0 CEAERO Cc1cccc(N2CC[NH+]([C@@H]3CC[C@H](O)C3)CC2)c1C ZINC000093798449 135082857 /nfs/dbraw/zinc/08/28/57/135082857.db2.gz FANYMYKBKNANFU-CVEARBPZSA-N 1 0 274.408 2.339 10 0 CEAERO CC[C@](C)([NH3+])CN1CCN(c2ccccc2F)CC1 ZINC000094239270 135084624 /nfs/dbraw/zinc/08/46/24/135084624.db2.gz 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ZINC000313001105 394542148 /nfs/dbraw/zinc/54/21/48/394542148.db2.gz IHYMOWNNKCGXKR-GJZGRUSLSA-N 1 0 266.429 2.410 10 0 CEAERO C[C@@H]([NH3+])CCNCc1cc(Br)ccc1F ZINC000258854270 394599045 /nfs/dbraw/zinc/59/90/45/394599045.db2.gz XUQICQFMQZIZJV-MRVPVSSYSA-N 1 0 275.165 2.415 10 0 CEAERO Cc1cc(N2CC[C@@]3(CC[NH2+]C3)C2)ncc1Br ZINC000261555864 394601591 /nfs/dbraw/zinc/60/15/91/394601591.db2.gz QENBFARTDUNQON-CYBMUJFWSA-N 1 0 296.212 2.342 10 0 CEAERO C[C@@H]1CN(Cc2ccc3c(c2)CC(C)(C)O3)C[C@@H]1[NH3+] ZINC000262075170 394612919 /nfs/dbraw/zinc/61/29/19/394612919.db2.gz SLBZZSRPVCAXLC-RISCZKNCSA-N 1 0 260.381 2.179 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H](OC)c1ccc(F)cc1 ZINC000262592810 394620607 /nfs/dbraw/zinc/62/06/07/394620607.db2.gz VIHNFRRRZXWNLJ-LEWSCRJBSA-N 1 0 282.359 2.145 10 0 CEAERO CC[C@H](C)N(C)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000080012638 394633184 /nfs/dbraw/zinc/63/31/84/394633184.db2.gz WOEWRGUGHJXFSN-STQMWFEESA-N 1 0 257.422 2.403 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccnc1Cl ZINC000083550783 394640328 /nfs/dbraw/zinc/64/03/28/394640328.db2.gz HEINTSPXZMZASR-WCQYABFASA-N 1 0 265.788 2.404 10 0 CEAERO CC[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1CCOC(C)C ZINC000122131766 394809718 /nfs/dbraw/zinc/80/97/18/394809718.db2.gz GYVOLYHOLWTYQQ-HUUCEWRRSA-N 1 0 254.418 2.360 10 0 CEAERO CCCC[C@H](C[NH3+])Nc1ccccc1S(C)(=O)=O ZINC000130558950 394890658 /nfs/dbraw/zinc/89/06/58/394890658.db2.gz YCEDQAWHINSVKG-LLVKDONJSA-N 1 0 270.398 2.020 10 0 CEAERO CC[C@H](NC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC)[C@H]1CCCO1 ZINC000132525562 394932978 /nfs/dbraw/zinc/93/29/78/394932978.db2.gz DFDYNISRIADGGJ-SOUVJXGZSA-N 1 0 297.443 2.070 10 0 CEAERO C[C@@H]1CN2CCCC[C@H]2C[N@@H+]1C[C@H]1CCC=CO1 ZINC000369330512 394997362 /nfs/dbraw/zinc/99/73/62/394997362.db2.gz MBQBVGCJOPCVNC-QLFBSQMISA-N 1 0 250.386 2.238 10 0 CEAERO C[C@@H]1CN2CCCC[C@H]2C[N@@H+]1C[C@@H]1CCC=CO1 ZINC000369330509 394997983 /nfs/dbraw/zinc/99/79/83/394997983.db2.gz MBQBVGCJOPCVNC-ILXRZTDVSA-N 1 0 250.386 2.238 10 0 CEAERO C[C@H]1CC[N@H+](CC2(O)CCC2)CCN1Cc1ccccc1 ZINC000341375313 394999519 /nfs/dbraw/zinc/99/95/19/394999519.db2.gz QODAMBKYJKHVCA-INIZCTEOSA-N 1 0 288.435 2.498 10 0 CEAERO CCc1ccc(CCC(=O)N2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC000423646889 394961543 /nfs/dbraw/zinc/96/15/43/394961543.db2.gz QCXXDUPVPTZKAN-IUODEOHRSA-N 1 0 260.381 2.130 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CCSc1ccc(F)cc1 ZINC000423649889 394962349 /nfs/dbraw/zinc/96/23/49/394962349.db2.gz TVEPQPPSQHRBQE-MFKMUULPSA-N 1 0 282.384 2.256 10 0 CEAERO Cc1ccc(-c2cc(C(=O)N3CC[C@H]([NH+](C)C)C3)on2)cc1 ZINC000170866505 395093063 /nfs/dbraw/zinc/09/30/63/395093063.db2.gz NNWNPLISJPHWKC-AWEZNQCLSA-N 1 0 299.374 2.426 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C(C)=O)cc2)C1 ZINC000171865600 395098376 /nfs/dbraw/zinc/09/83/76/395098376.db2.gz OBJLVIPTCZLWNS-HNNXBMFYSA-N 1 0 274.364 2.103 10 0 CEAERO C[C@H]1CN(C(=O)CSCc2cccc(Cl)c2)C[C@H]1[NH3+] ZINC000423962563 395035868 /nfs/dbraw/zinc/03/58/68/395035868.db2.gz UHLCPNUUAMREAW-GXFFZTMASA-N 1 0 298.839 2.379 10 0 CEAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N[C@H]2CCCc3occc32)C1 ZINC000347696963 395127545 /nfs/dbraw/zinc/12/75/45/395127545.db2.gz GUWMUQVQHUNXIF-BZPMIXESSA-N 1 0 291.395 2.439 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCC(C)C ZINC000173276414 395111887 /nfs/dbraw/zinc/11/18/87/395111887.db2.gz HMJDGUZEZLEPRR-UONOGXRCSA-N 1 0 267.417 2.301 10 0 CEAERO COC(=O)[C@@H](c1ccccc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177760141 395156071 /nfs/dbraw/zinc/15/60/71/395156071.db2.gz OJYOTTQGVMLBQD-HZPDHXFCSA-N 1 0 288.391 2.071 10 0 CEAERO CCc1nc(CN(C)C(=O)C[C@H]([NH3+])C(C)C)cs1 ZINC000382435678 395181853 /nfs/dbraw/zinc/18/18/53/395181853.db2.gz OPXZZGDDLSHVRU-NSHDSACASA-N 1 0 269.414 2.037 10 0 CEAERO CC[C@H](C)[C@@H](C[N@@H+]1CCN2CCCC[C@@H]2C1)OC ZINC000381331869 395173598 /nfs/dbraw/zinc/17/35/98/395173598.db2.gz ZETXYQCPPCNROJ-RRFJBIMHSA-N 1 0 254.418 2.218 10 0 CEAERO O[C@@H]1CC[C@H]2C[N@H+](CCOc3ccc(F)cc3)C[C@H]2C1 ZINC000398905956 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CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cnn(C(C)C)c1C ZINC000180348540 165304742 /nfs/dbraw/zinc/30/47/42/165304742.db2.gz CRUBAWIEICPHIV-CQSZACIVSA-N 1 0 292.427 2.329 10 0 CEAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccoc1)CC2 ZINC000180623875 165316842 /nfs/dbraw/zinc/31/68/42/165316842.db2.gz YWMZHWZMDWPVPS-PWSUYJOCSA-N 1 0 260.341 2.099 10 0 CEAERO C[NH+](C)C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000004819364 170022896 /nfs/dbraw/zinc/02/28/96/170022896.db2.gz PIGDJLGVMWCDEX-CYBMUJFWSA-N 1 0 251.370 2.285 10 0 CEAERO Cc1cc(N)ccc1NC(=O)C[N@H+]1CCCC[C@@H]1C ZINC000005448088 170100138 /nfs/dbraw/zinc/10/01/38/170100138.db2.gz QCKYXVMMZQCPFM-LBPRGKRZSA-N 1 0 261.369 2.390 10 0 CEAERO C[C@@H]([NH2+]Cc1cnc(C(C)(C)C)nc1)[C@H]1CCCO1 ZINC000284299059 196024404 /nfs/dbraw/zinc/02/44/04/196024404.db2.gz IQCOQXOFSAXZDS-DGCLKSJQSA-N 1 0 263.385 2.431 10 0 CEAERO [NH3+]C[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1 ZINC000006096129 170176234 /nfs/dbraw/zinc/17/62/34/170176234.db2.gz HIGKMVIPYOFHBP-OAHLLOKOSA-N 1 0 299.370 2.201 10 0 world CEAERO CC[NH+](CC)CCNC(=O)c1cnc(Cl)c(Cl)c1 ZINC000019401025 170784731 /nfs/dbraw/zinc/78/47/31/170784731.db2.gz CWCIPCJUQDEGHR-UHFFFAOYSA-N 1 0 290.194 2.460 10 0 CEAERO Cc1c(N)cccc1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000019406490 170787181 /nfs/dbraw/zinc/78/71/81/170787181.db2.gz WQIGJUHHTMDAJW-UHFFFAOYSA-N 1 0 277.412 2.426 10 0 CEAERO COc1cccc(C(=O)c2ccc(CC[NH3+])cc2)c1 ZINC000019779706 170861870 /nfs/dbraw/zinc/86/18/70/170861870.db2.gz AUBDFQVWCLSAEH-UHFFFAOYSA-N 1 0 255.317 2.427 10 0 CEAERO COc1cc(C[NH2+]Cc2ccncc2)cc(OC)c1O ZINC000020140381 171027254 /nfs/dbraw/zinc/02/72/54/171027254.db2.gz FXRNBOCZYZQEAX-UHFFFAOYSA-N 1 0 274.320 2.094 10 0 CEAERO [NH3+]CCOc1ccc(NC(=O)COc2ccccc2)cc1 ZINC000020224557 171087548 /nfs/dbraw/zinc/08/75/48/171087548.db2.gz JQKVAFJZGIXULF-UHFFFAOYSA-N 1 0 286.331 2.042 10 0 CEAERO COc1cccc(CN(C)[C@@H](C[NH3+])c2ccco2)c1 ZINC000020225260 171087745 /nfs/dbraw/zinc/08/77/45/171087745.db2.gz JOECKFCGMFNHRD-AWEZNQCLSA-N 1 0 260.337 2.420 10 0 CEAERO CN(Cc1cccc(F)c1)c1ncccc1C(N)=[NH2+] ZINC000020266742 171123506 /nfs/dbraw/zinc/12/35/06/171123506.db2.gz RQCIUUOAESFSEM-UHFFFAOYSA-N 1 0 258.300 2.141 10 0 CEAERO [NH3+]CCCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000020269718 171125605 /nfs/dbraw/zinc/12/56/05/171125605.db2.gz XJGDABIQPJQBAC-UHFFFAOYSA-N 1 0 296.436 2.143 10 0 CEAERO CCCCNC(=O)[C@H](C)[NH2+]CCc1ccc(OC)cc1 ZINC000020364315 171162859 /nfs/dbraw/zinc/16/28/59/171162859.db2.gz NHIDULWZZVJFSW-ZDUSSCGKSA-N 1 0 278.396 2.132 10 0 CEAERO CC[C@H]([NH3+])c1ccc(O[C@H](C)C(=O)NC2CC2)cc1 ZINC000020419562 171184442 /nfs/dbraw/zinc/18/44/42/171184442.db2.gz LGMHPDZSCBEYOQ-YGRLFVJLSA-N 1 0 262.353 2.142 10 0 CEAERO CCCNC(=O)[C@@H](C)Oc1ccccc1[C@H]([NH3+])CC ZINC000020419956 171185105 /nfs/dbraw/zinc/18/51/05/171185105.db2.gz BSBKSEIDDGFEJO-DGCLKSJQSA-N 1 0 264.369 2.390 10 0 CEAERO Cn1cc([C@H]([NH3+])c2ccc(C(F)(F)F)cc2)cn1 ZINC000020476763 171220999 /nfs/dbraw/zinc/22/09/99/171220999.db2.gz OECSJZKZQVNBEK-LLVKDONJSA-N 1 0 255.243 2.487 10 0 CEAERO Cn1cc([C@@H]([NH3+])c2cccc(C(F)(F)F)c2)cn1 ZINC000020476889 171221277 /nfs/dbraw/zinc/22/12/77/171221277.db2.gz UGKZCHOSBZBWGM-NSHDSACASA-N 1 0 255.243 2.487 10 0 CEAERO C[C@H]1CCC[C@@H](C(=O)Nc2c(F)cccc2F)[NH2+]1 ZINC000020476459 171221285 /nfs/dbraw/zinc/22/12/85/171221285.db2.gz DMIUAXBLJKIJDK-KWQFWETISA-N 1 0 254.280 2.434 10 0 CEAERO C[C@H]([NH3+])c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000020549166 171246069 /nfs/dbraw/zinc/24/60/69/171246069.db2.gz JZAOGXGMHBNGCM-LBPRGKRZSA-N 1 0 282.409 2.271 10 0 CEAERO COC(=O)C[C@@H]([NH3+])c1ccccc1Br ZINC000020577463 171256405 /nfs/dbraw/zinc/25/64/05/171256405.db2.gz IJWZWRXYCPBAGA-SECBINFHSA-N 1 0 258.115 2.012 10 0 CEAERO Clc1ccc2oc(CN3CCC[NH2+]CC3)nc2c1 ZINC000021155705 171298379 /nfs/dbraw/zinc/29/83/79/171298379.db2.gz ZYXWGBLWTNUMBF-UHFFFAOYSA-N 1 0 265.744 2.277 10 0 CEAERO CC(C)[C@H](C[NH3+])C(=O)N1CCC[C@H]1OCc1ccccc1 ZINC000022048079 171350512 /nfs/dbraw/zinc/35/05/12/171350512.db2.gz ZVCUUQOSXAHEEI-JKSUJKDBSA-N 1 0 290.407 2.383 10 0 in-vitro CEAERO Nc1cc(NC(=O)CCC[NH+]2CCCC2)ccc1F ZINC000022153219 171360132 /nfs/dbraw/zinc/36/01/32/171360132.db2.gz OOKZEUCQJAIPQS-UHFFFAOYSA-N 1 0 265.332 2.222 10 0 CEAERO C[C@@H](C(=O)Nc1cccc(N)c1)[NH+]1CCCCCC1 ZINC000022154299 171361371 /nfs/dbraw/zinc/36/13/71/171361371.db2.gz KZPZNXXUCNCUPL-LBPRGKRZSA-N 1 0 261.369 2.472 10 0 CEAERO C[C@H](C(=O)Nc1ccc(Cl)c(N)c1)[NH+]1CCCC1 ZINC000022155435 171361773 /nfs/dbraw/zinc/36/17/73/171361773.db2.gz FJVFKHNPUHJAEF-SECBINFHSA-N 1 0 267.760 2.345 10 0 CEAERO [NH3+]Cc1ccc(NC(=O)COc2ccc(F)cc2)cc1 ZINC000022166081 171365949 /nfs/dbraw/zinc/36/59/49/171365949.db2.gz BFQLDTAKNRZNBN-UHFFFAOYSA-N 1 0 274.295 2.302 10 0 CEAERO Cc1cc(F)ccc1NS(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000022210720 171373353 /nfs/dbraw/zinc/37/33/53/171373353.db2.gz AKURAZHSTACCHL-UHFFFAOYSA-N 1 0 294.351 2.394 10 0 CEAERO Nc1ccccc1NC(=O)CCC[NH+]1CCCCC1 ZINC000022216233 171375877 /nfs/dbraw/zinc/37/58/77/171375877.db2.gz OLBDQKPQSKGVEF-UHFFFAOYSA-N 1 0 261.369 2.473 10 0 CEAERO CCOc1ccc(O[C@H]2CC3(CC[C@@H]2[NH3+])OCCO3)cc1 ZINC000023069848 171409848 /nfs/dbraw/zinc/40/98/48/171409848.db2.gz DGPJEQLERZZRGO-GJZGRUSLSA-N 1 0 293.363 2.087 10 0 CEAERO COc1cc2c(cc1OC)[C@@H](CCCCO)[NH2+]CC2 ZINC000032099019 171696577 /nfs/dbraw/zinc/69/65/77/171696577.db2.gz KHQQENQBSOUCAX-CYBMUJFWSA-N 1 0 265.353 2.053 10 0 CEAERO O[C@H](C[NH2+]C1CC1)COc1c(Cl)cccc1Cl ZINC000032122270 171712847 /nfs/dbraw/zinc/71/28/47/171712847.db2.gz FPKJGADRPYQNGC-SECBINFHSA-N 1 0 276.163 2.485 10 0 CEAERO CCC[NH2+]Cc1ccc(OCC(=O)N(C)C)c(OCC)c1 ZINC000034652100 171847344 /nfs/dbraw/zinc/84/73/44/171847344.db2.gz LEVFAYNLPRDZPC-UHFFFAOYSA-N 1 0 294.395 2.052 10 0 CEAERO CCCCS(=O)(=O)N(CC)c1ccc(C[NH3+])cc1 ZINC000034654264 171848538 /nfs/dbraw/zinc/84/85/38/171848538.db2.gz MPOKPFGJFWQKIE-UHFFFAOYSA-N 1 0 270.398 2.102 10 0 CEAERO CCCS(=O)(=O)N(c1ccc(C[NH3+])cc1)C(C)C ZINC000034655074 171849033 /nfs/dbraw/zinc/84/90/33/171849033.db2.gz AVJFHCAVGFNRJX-UHFFFAOYSA-N 1 0 270.398 2.100 10 0 CEAERO C[C@@H]1C[C@H]1C(=O)N(CCC[NH3+])c1ccc(F)cc1 ZINC000034959914 171905233 /nfs/dbraw/zinc/90/52/33/171905233.db2.gz HJJLDILQEONAFX-ZWNOBZJWSA-N 1 0 250.317 2.164 10 0 CEAERO COc1cccc([C@@H](C[NH2+]C[C@H]2CCCCO2)N(C)C)c1 ZINC000035151285 172014712 /nfs/dbraw/zinc/01/47/12/172014712.db2.gz FGBWTRSKHMRTDN-IAGOWNOFSA-N 1 0 292.423 2.457 10 0 CEAERO COc1cc(C[NH2+][C@H](C)CN2CCCCC2)ccc1O ZINC000035258828 172091201 /nfs/dbraw/zinc/09/12/01/172091201.db2.gz BCUHLMDIFDIDAC-CYBMUJFWSA-N 1 0 278.396 2.365 10 0 CEAERO COC(=O)CCC[N@H+](Cc1ccccc1N)C1CC1 ZINC000035366496 172158534 /nfs/dbraw/zinc/15/85/34/172158534.db2.gz QLOSYSPKFSFYEH-UHFFFAOYSA-N 1 0 262.353 2.186 10 0 CEAERO CCCOc1ccc(C[NH2+]C)c(OCCOC)c1 ZINC000035414076 172187435 /nfs/dbraw/zinc/18/74/35/172187435.db2.gz LXMBKBYTSRCELI-UHFFFAOYSA-N 1 0 253.342 2.220 10 0 CEAERO CNC(=O)[C@@H](C)Oc1c2ccccc2ccc1[C@@H](C)[NH3+] ZINC000035427243 172194520 /nfs/dbraw/zinc/19/45/20/172194520.db2.gz CLZBXRZYHMPSRL-GHMZBOCLSA-N 1 0 272.348 2.373 10 0 CEAERO CC[NH2+]Cc1c(N(CC)C2CC2)nc2sccn12 ZINC000035430070 172198119 /nfs/dbraw/zinc/19/81/19/172198119.db2.gz UXTVAOSCLBTMOT-UHFFFAOYSA-N 1 0 264.398 2.494 10 0 CEAERO C[NH2+]Cc1c(Oc2cccnc2)nc2ccccn21 ZINC000035450431 172204703 /nfs/dbraw/zinc/20/47/03/172204703.db2.gz DMHPOJNDSBDODR-UHFFFAOYSA-N 1 0 254.293 2.241 10 0 CEAERO C[NH2+][C@@H](c1cnn(C)c1)c1cc(Cl)ccc1OC ZINC000035500159 172233816 /nfs/dbraw/zinc/23/38/16/172233816.db2.gz LZFLBEMXOJHDBM-ZDUSSCGKSA-N 1 0 265.744 2.391 10 0 CEAERO CCCNC(=O)[C@H](C)Oc1ccc(C)cc1[C@H](C)[NH3+] ZINC000035629341 172309231 /nfs/dbraw/zinc/30/92/31/172309231.db2.gz CDRTWNXXEWHWOH-RYUDHWBXSA-N 1 0 264.369 2.308 10 0 CEAERO CC[C@H](C)NC(=O)COc1ccc(C)cc1[C@@H](C)[NH3+] ZINC000035629421 172309550 /nfs/dbraw/zinc/30/95/50/172309550.db2.gz XWZRRFNZWTYWNR-NWDGAFQWSA-N 1 0 264.369 2.308 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000035632813 172315846 /nfs/dbraw/zinc/31/58/46/172315846.db2.gz DXHAYXBKLSEKQY-NSHDSACASA-N 1 0 270.398 2.044 10 0 CEAERO CCCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C)cc1 ZINC000035644303 172322321 /nfs/dbraw/zinc/32/23/21/172322321.db2.gz RLTZPIZWNHWCNC-SNVBAGLBSA-N 1 0 256.371 2.119 10 0 CEAERO CCCS(=O)(=O)Nc1cccc([C@H](C)[NH2+]C)c1 ZINC000035644634 172322380 /nfs/dbraw/zinc/32/23/80/172322380.db2.gz YPNMUFZOMSDVRW-JTQLQIEISA-N 1 0 256.371 2.119 10 0 CEAERO CC[NH2+]CCCOc1c(OC)cc(C)cc1OC ZINC000035679103 172349774 /nfs/dbraw/zinc/34/97/74/172349774.db2.gz JTPWZGNBVSNOEE-UHFFFAOYSA-N 1 0 253.342 2.391 10 0 CEAERO C[C@H](NC(=O)c1cccc(F)c1)[C@H]1CCCC[NH2+]1 ZINC000035690756 172359228 /nfs/dbraw/zinc/35/92/28/172359228.db2.gz OMPWWOVTCIQZKK-GXFFZTMASA-N 1 0 250.317 2.086 10 0 CEAERO CC[C@@H](CC[NH3+])Sc1nnnn1C1CCCC1 ZINC000035724007 172379457 /nfs/dbraw/zinc/37/94/57/172379457.db2.gz DAZLXEVXZWDYBU-JTQLQIEISA-N 1 0 255.391 2.008 10 0 CEAERO CC(C)[NH2+][C@H]1C[C@@H](C)S(=O)(=O)c2ccccc21 ZINC000035760621 172398632 /nfs/dbraw/zinc/39/86/32/172398632.db2.gz FBZLFVQKXUOOKK-PWSUYJOCSA-N 1 0 253.367 2.292 10 0 CEAERO C[NH2+][C@@H]1c2cccc(Cl)c2S(=O)(=O)C[C@H]1C ZINC000035761275 172399159 /nfs/dbraw/zinc/39/91/59/172399159.db2.gz WVNXRWIUNKBVDK-XCBNKYQSSA-N 1 0 259.758 2.024 10 0 CEAERO COc1cc([C@@H](C[NH3+])C(C)C)cc(OC)c1OC ZINC000036156054 172478721 /nfs/dbraw/zinc/47/87/21/172478721.db2.gz SOPQDYNDRMVFAT-NSHDSACASA-N 1 0 253.342 2.411 10 0 CEAERO O[C@@]1(c2cn[nH]n2)CC[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000285415386 196277978 /nfs/dbraw/zinc/27/79/78/196277978.db2.gz HCGNEELPQGQFFZ-KRWDZBQOSA-N 1 0 294.358 2.051 10 0 CEAERO [NH3+]C1CC(NC(=O)c2c(Cl)cccc2Cl)C1 ZINC000036256590 172548947 /nfs/dbraw/zinc/54/89/47/172548947.db2.gz FBKGAGMUTMHIMH-UHFFFAOYSA-N 1 0 259.136 2.213 10 0 CEAERO CCOc1ccccc1[C@H](C)[NH2+]CC(=O)NC1CC1 ZINC000036782332 172700258 /nfs/dbraw/zinc/70/02/58/172700258.db2.gz GSLLIGJOPXMSKW-NSHDSACASA-N 1 0 262.353 2.015 10 0 CEAERO COC(=O)CC[NH2+]C1CC(c2ccccc2F)C1 ZINC000036845992 172747549 /nfs/dbraw/zinc/74/75/49/172747549.db2.gz ROBHJPJJGUZHLY-UHFFFAOYSA-N 1 0 251.301 2.224 10 0 CEAERO C[C@@H]([NH3+])Cc1nc(Cc2cccc(Cl)c2)no1 ZINC000036978459 172845235 /nfs/dbraw/zinc/84/52/35/172845235.db2.gz XMPTVUCENLYXPT-MRVPVSSYSA-N 1 0 251.717 2.204 10 0 CEAERO CCCC[N@H+](C)CCOc1ccc(C(N)=S)cc1 ZINC000037144046 172982479 /nfs/dbraw/zinc/98/24/79/172982479.db2.gz RPZSFGPAGBGCGS-UHFFFAOYSA-N 1 0 266.410 2.432 10 0 CEAERO CCCC[N@H+](C)CCOc1ccccc1C(N)=S ZINC000037144045 172982628 /nfs/dbraw/zinc/98/26/28/172982628.db2.gz AHIUTGZPBLAGTB-UHFFFAOYSA-N 1 0 266.410 2.432 10 0 CEAERO CC(=O)NCC[NH2+][C@H](CC(F)(F)F)c1ccccc1 ZINC000037235805 173054344 /nfs/dbraw/zinc/05/43/44/173054344.db2.gz AMWVWZJRZXKVDX-GFCCVEGCSA-N 1 0 274.286 2.406 10 0 CEAERO COC(=O)CC[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000037252029 173063803 /nfs/dbraw/zinc/06/38/03/173063803.db2.gz RRVVMFVYFIWZHS-UHFFFAOYSA-N 1 0 251.326 2.127 10 0 CEAERO C[C@@H](CO)[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000037258736 173069233 /nfs/dbraw/zinc/06/92/33/173069233.db2.gz NFLRNKHZPHHOET-GZMMTYOYSA-N 1 0 286.169 2.243 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCS(=O)(=O)c2ccccc21)C1CC1 ZINC000037259306 173069494 /nfs/dbraw/zinc/06/94/94/173069494.db2.gz RCJKLZDUYUEINR-GXFFZTMASA-N 1 0 265.378 2.293 10 0 CEAERO Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](C)C2)c(N)c1 ZINC000037272167 173083140 /nfs/dbraw/zinc/08/31/40/173083140.db2.gz HIWJCYZLSDIAQY-LBPRGKRZSA-N 1 0 261.369 2.248 10 0 CEAERO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1N ZINC000037273221 173085149 /nfs/dbraw/zinc/08/51/49/173085149.db2.gz WFTNWLRSQPMDHB-CYBMUJFWSA-N 1 0 261.369 2.132 10 0 CEAERO CCC[N@H+](CC(=O)Nc1ccc(C)c(N)c1)C1CC1 ZINC000037273335 173085471 /nfs/dbraw/zinc/08/54/71/173085471.db2.gz OIPUFDGASLRUEW-UHFFFAOYSA-N 1 0 261.369 2.390 10 0 CEAERO CCCN(CCC[NH3+])C(=O)Nc1ccc(OC)cc1 ZINC000037299440 173103724 /nfs/dbraw/zinc/10/37/24/173103724.db2.gz QTFLCQDLVUNUGJ-UHFFFAOYSA-N 1 0 265.357 2.288 10 0 CEAERO [NH3+]CCCN(C(=O)[C@@H]1CCCO1)C1CCCCCC1 ZINC000037299309 173104185 /nfs/dbraw/zinc/10/41/85/173104185.db2.gz BFZNGXIFDLOTKM-AWEZNQCLSA-N 1 0 268.401 2.066 10 0 CEAERO Clc1cc(C[NH2+][C@@H]2CN3CCC2CC3)cc2c1OCO2 ZINC000037302473 173108232 /nfs/dbraw/zinc/10/82/32/173108232.db2.gz JKKYMVRSKLCHFL-CYBMUJFWSA-N 1 0 294.782 2.253 10 0 CEAERO C[C@@H]1CCCCN1[C@@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000037325589 173126327 /nfs/dbraw/zinc/12/63/27/173126327.db2.gz HSUDDVJAFWAZEB-YPMHNXCESA-N 1 0 262.353 2.290 10 0 CEAERO CCc1ccc(/C=C2\SC(=O)N(CC[NH3+])C2=O)cc1 ZINC000037326782 173128004 /nfs/dbraw/zinc/12/80/04/173128004.db2.gz DAUBRCYOSNKSRF-XFXZXTDPSA-N 1 0 276.361 2.244 10 0 CEAERO NC(=[NH2+])c1cc(C(F)(F)F)ccc1-n1cccn1 ZINC000037334639 173135232 /nfs/dbraw/zinc/13/52/32/173135232.db2.gz WUUBJANXZGGJSW-UHFFFAOYSA-N 1 0 254.215 2.175 10 0 CEAERO C[C@H](C(=O)c1ccccc1)N1CCC([NH+](C)C)CC1 ZINC000037339737 173141752 /nfs/dbraw/zinc/14/17/52/173141752.db2.gz CJOFVJHWQLEVCF-CYBMUJFWSA-N 1 0 260.381 2.284 10 0 CEAERO CCCn1c2c(cccc2Cl)nc1[C@H]([NH3+])CO ZINC000037444169 173212075 /nfs/dbraw/zinc/21/20/75/173212075.db2.gz GJXFJIHQZSUGMG-SECBINFHSA-N 1 0 253.733 2.092 10 0 CEAERO CO[C@@H]1C[NH2+][C@@H](c2nc3c(cccc3Cl)[nH]2)C1 ZINC000037443845 173212475 /nfs/dbraw/zinc/21/24/75/173212475.db2.gz CCQIBJVIMAXOIU-OIBJUYFYSA-N 1 0 251.717 2.266 10 0 CEAERO C[C@@H]([NH3+])CC(=O)Nc1ccccc1Br ZINC000037475869 173227821 /nfs/dbraw/zinc/22/78/21/173227821.db2.gz UVVMMAWEKJUCJY-SSDOTTSWSA-N 1 0 257.131 2.125 10 0 CEAERO C[C@@H]([NH3+])CC(=O)N[C@@H](C)c1ccccc1Br ZINC000037476520 173227861 /nfs/dbraw/zinc/22/78/61/173227861.db2.gz LMPBMJLXVBGJCG-BDAKNGLRSA-N 1 0 285.185 2.364 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)N(CCOC)Cc1cccs1 ZINC000037495627 173235188 /nfs/dbraw/zinc/23/51/88/173235188.db2.gz ROKMBGHZDVNHRF-GFCCVEGCSA-N 1 0 284.425 2.111 10 0 CEAERO O=C([C@@H]1CCC[NH2+]1)N1CC=C(c2ccccc2)CC1 ZINC000037497732 173236512 /nfs/dbraw/zinc/23/65/12/173236512.db2.gz ZBKLHRCNZBXZRV-HNNXBMFYSA-N 1 0 256.349 2.054 10 0 CEAERO CC[NH+]1CCN(Cc2ccc(N)cc2Br)CC1 ZINC000037515898 173247667 /nfs/dbraw/zinc/24/76/67/173247667.db2.gz OWVCGTFHZSVQQI-UHFFFAOYSA-N 1 0 298.228 2.169 10 0 CEAERO CCN(C(=O)c1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC000037537430 173257156 /nfs/dbraw/zinc/25/71/56/173257156.db2.gz BCUMKEPOPXPAPW-UHFFFAOYSA-N 1 0 268.307 2.179 10 0 CEAERO CC[C@@H](C(=O)N(C)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000037540791 173262874 /nfs/dbraw/zinc/26/28/74/173262874.db2.gz LPKZSADETNGRPF-LSDHHAIUSA-N 1 0 260.381 2.391 10 0 CEAERO C[C@@H]([NH3+])CC(=O)N1CCc2sccc2[C@@H]1C1CC1 ZINC000037803208 173742347 /nfs/dbraw/zinc/74/23/47/173742347.db2.gz DANWEHJFTVJQDC-OTYXRUKQSA-N 1 0 264.394 2.321 10 0 CEAERO CCC[C@@H](C)C(=O)N1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000037915841 173849791 /nfs/dbraw/zinc/84/97/91/173849791.db2.gz AURDOHOUZOSSPE-MGPQQGTHSA-N 1 0 252.402 2.413 10 0 CEAERO COc1ccc(OC)c([C@H]([NH2+]C2CCCCC2)C(N)=O)c1 ZINC000037969810 173917861 /nfs/dbraw/zinc/91/78/61/173917861.db2.gz XFDFCHGIRGBIID-HNNXBMFYSA-N 1 0 292.379 2.153 10 0 CEAERO CC(C)(C)[C@@H]1CCCC[C@@]1([NH2+]CC1CC1)C(N)=O ZINC000038000873 173963283 /nfs/dbraw/zinc/96/32/83/173963283.db2.gz LBIRLJRVKLWOMY-WFASDCNBSA-N 1 0 252.402 2.446 10 0 CEAERO Cc1ccc(C(=O)N(CC[NH3+])Cc2ccccc2)c(O)c1 ZINC000038033060 174029559 /nfs/dbraw/zinc/02/95/59/174029559.db2.gz ZAIWLBYKKRGPIX-UHFFFAOYSA-N 1 0 284.359 2.302 10 0 CEAERO Cc1cccc(NC(=O)[C@@H]2CCCN2C2CC[NH2+]CC2)c1 ZINC000038042952 174047235 /nfs/dbraw/zinc/04/72/35/174047235.db2.gz REKLZVFXZBHDGD-INIZCTEOSA-N 1 0 287.407 2.150 10 0 CEAERO COc1cc(C(=O)N[C@@H]2CCCC[C@@H]2[NH3+])ccc1C ZINC000038049418 174060487 /nfs/dbraw/zinc/06/04/87/174060487.db2.gz AFAJVUOGONEBAP-QWHCGFSZSA-N 1 0 262.353 2.003 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(F)cc1 ZINC000038049854 174061288 /nfs/dbraw/zinc/06/12/88/174061288.db2.gz PLYIEODWVFJXHG-NEPJUHHUSA-N 1 0 251.305 2.217 10 0 CEAERO CC[NH2+]Cc1c(-n2cc(Cl)cn2)nc2ccccn21 ZINC000038053886 174065014 /nfs/dbraw/zinc/06/50/14/174065014.db2.gz RBQIHDFVPRUYFU-UHFFFAOYSA-N 1 0 275.743 2.283 10 0 CEAERO c1coc([C@@H]([NH2+]C[C@H]2COCCO2)c2ccccc2)c1 ZINC000038060358 174070823 /nfs/dbraw/zinc/07/08/23/174070823.db2.gz BESQBKLJBBZOID-HOCLYGCPSA-N 1 0 273.332 2.374 10 0 CEAERO CC[C@@H](C)[NH2+][C@](C)(C(N)=O)c1ccc(F)cc1F ZINC000038065568 174075946 /nfs/dbraw/zinc/07/59/46/174075946.db2.gz FRTVZKCEXLJIGJ-OQPBUACISA-N 1 0 256.296 2.053 10 0 CEAERO [NH3+]CCCN(C(=O)Nc1cccc(F)c1)C1CC1 ZINC000038076348 174087061 /nfs/dbraw/zinc/08/70/61/174087061.db2.gz PCBUEFIULDWADB-UHFFFAOYSA-N 1 0 251.305 2.171 10 0 CEAERO O[C@@H](C[NH2+]CC[C@@H]1CCCO1)c1ccccc1F ZINC000038096746 174111285 /nfs/dbraw/zinc/11/12/85/174111285.db2.gz PHHDAKOOYFRTMK-FZMZJTMJSA-N 1 0 253.317 2.018 10 0 CEAERO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COC(C)(C)C)o1 ZINC000038097789 174112043 /nfs/dbraw/zinc/11/20/43/174112043.db2.gz GXXUMGCJZHPCHY-NEPJUHHUSA-N 1 0 255.358 2.415 10 0 CEAERO COC(=O)c1cccc(CN2CC[NH2+][C@@H](CC(C)C)C2)c1 ZINC000039952548 174177319 /nfs/dbraw/zinc/17/73/19/174177319.db2.gz WJJYGEGCZKOOBX-INIZCTEOSA-N 1 0 290.407 2.293 10 0 CEAERO CC(C)(C)C[NH2+]C[C@H](O)COCc1cccs1 ZINC000040493171 174292907 /nfs/dbraw/zinc/29/29/07/174292907.db2.gz DTFNWQYWPKFSHD-NSHDSACASA-N 1 0 257.399 2.261 10 0 CEAERO O=C(CC[NH2+]C1CC1)N(Cc1ccsc1)C1CC1 ZINC000040492148 174292952 /nfs/dbraw/zinc/29/29/52/174292952.db2.gz USCPNLYDQZYPHE-UHFFFAOYSA-N 1 0 264.394 2.381 10 0 CEAERO CC(C)(C)C[NH2+]C[C@H](O)COCc1ccccc1 ZINC000040493565 174293508 /nfs/dbraw/zinc/29/35/08/174293508.db2.gz VUJKMKAFJRUKGU-AWEZNQCLSA-N 1 0 251.370 2.200 10 0 CEAERO CC[C@H]([NH3+])c1cccc(S(=O)(=O)NCC(C)(C)C)c1 ZINC000040495036 174293639 /nfs/dbraw/zinc/29/36/39/174293639.db2.gz YYFVDZZVJLJLHH-ZDUSSCGKSA-N 1 0 284.425 2.421 10 0 CEAERO CCN1CCC[C@@H]([NH2+]Cc2cc(OC)ccc2OC)C1 ZINC000040502368 174298737 /nfs/dbraw/zinc/29/87/37/174298737.db2.gz ARAOJCWBVGFWND-CQSZACIVSA-N 1 0 278.396 2.278 10 0 CEAERO Cc1nnc(Sc2nc(C)cc(C)c2C[NH3+])s1 ZINC000040509900 174304330 /nfs/dbraw/zinc/30/43/30/174304330.db2.gz YHWVQIJIGQEBNY-UHFFFAOYSA-N 1 0 266.395 2.468 10 0 CEAERO COC(=O)C[C@H](C)[NH2+]Cc1cc2c(s1)CCC2 ZINC000040627037 174356943 /nfs/dbraw/zinc/35/69/43/174356943.db2.gz CBNVMUQKBKXTKE-VIFPVBQESA-N 1 0 253.367 2.278 10 0 CEAERO CCSc1ccccc1NC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000040634322 174360292 /nfs/dbraw/zinc/36/02/92/174360292.db2.gz YARVEEGCFRRLEJ-CMPLNLGQSA-N 1 0 280.393 2.114 10 0 CEAERO CCn1c(C[NH2+]CCc2nccn2C)nc2ccccc21 ZINC000040639431 174363863 /nfs/dbraw/zinc/36/38/63/174363863.db2.gz PABWGFPTESUAJM-UHFFFAOYSA-N 1 0 283.379 2.122 10 0 CEAERO O[C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000040667319 174367170 /nfs/dbraw/zinc/36/71/70/174367170.db2.gz IVUQCJBQYPAERD-QWHCGFSZSA-N 1 0 263.337 2.199 10 0 CEAERO CC(C)([NH2+][C@@H]1CCc2cc(Br)ccc21)C(N)=O ZINC000040674771 174373497 /nfs/dbraw/zinc/37/34/97/174373497.db2.gz QYZKKVUHJOYNJX-LLVKDONJSA-N 1 0 297.196 2.290 10 0 CEAERO [NH3+]Cc1ccc(C(=O)N2CCOc3ccccc3C2)cc1 ZINC000040677797 174374162 /nfs/dbraw/zinc/37/41/62/174374162.db2.gz JOHAPXUBAPNSJL-UHFFFAOYSA-N 1 0 282.343 2.180 10 0 CEAERO CC(C)(C)Nc1ncnc(NCC[NH+]2CCCCC2)c1N ZINC000040680525 174374651 /nfs/dbraw/zinc/37/46/51/174374651.db2.gz RPTVKXIGFALYDJ-UHFFFAOYSA-N 1 0 292.431 2.167 10 0 CEAERO CCOC1CC[NH+]([C@]2(CN)CCCC[C@@H]2C)CC1 ZINC000040678807 174374656 /nfs/dbraw/zinc/37/46/56/174374656.db2.gz YVWOOCLIXHANFR-ZFWWWQNUSA-N 1 0 254.418 2.395 10 0 CEAERO CCOC1CCN([C@@H](C[NH3+])c2ccc3c(c2)CCO3)CC1 ZINC000040678595 174374951 /nfs/dbraw/zinc/37/49/51/174374951.db2.gz YXUZFYRWXCEGOR-INIZCTEOSA-N 1 0 290.407 2.122 10 0 CEAERO Nc1c(Nc2cc[nH+]cc2)ncnc1Nc1cccnc1 ZINC000040687571 174375908 /nfs/dbraw/zinc/37/59/08/174375908.db2.gz AYODXBFOEATBJZ-UHFFFAOYSA-N 1 0 279.307 2.336 10 0 CEAERO CCOC1CCN(C[C@@H]([NH3+])c2ccc(C)cc2)CC1 ZINC000040689293 174376439 /nfs/dbraw/zinc/37/64/39/174376439.db2.gz UZWNEIOSYFNDIN-MRXNPFEDSA-N 1 0 262.397 2.496 10 0 CEAERO CN(C)c1cccc(Oc2cc(C(N)=[NH2+])ccn2)c1 ZINC000040714616 174382179 /nfs/dbraw/zinc/38/21/79/174382179.db2.gz AJVMGOGOXBNVHV-UHFFFAOYSA-N 1 0 256.309 2.224 10 0 CEAERO COc1ccc([C@@H]([NH3+])CN2CC[C@@H](C)C2)cc1OC ZINC000040718069 174385001 /nfs/dbraw/zinc/38/50/01/174385001.db2.gz NZBFRAQKTPFBFS-YPMHNXCESA-N 1 0 264.369 2.045 10 0 CEAERO CC(C)(C)NNc1[nH+]cnc(N2CCCCCC2)c1N ZINC000040725624 174386959 /nfs/dbraw/zinc/38/69/59/174386959.db2.gz HHRKZHSQEZFSEL-UHFFFAOYSA-N 1 0 278.404 2.154 10 0 CEAERO COc1ccccc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040740874 174391048 /nfs/dbraw/zinc/39/10/48/174391048.db2.gz PEISXMBGDHHOMC-FOSCPWQOSA-N 1 0 275.352 2.100 10 0 CEAERO COC(=O)c1oc(CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1C ZINC000040746928 174392013 /nfs/dbraw/zinc/39/20/13/174392013.db2.gz OJNPRRBWHMKQKV-FUNVUKJBSA-N 1 0 292.379 2.089 10 0 CEAERO CCN(C(=O)Cc1ccsc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747691 174392432 /nfs/dbraw/zinc/39/24/32/174392432.db2.gz KSWQCUOBWNOJRO-PBWFPOADSA-N 1 0 278.421 2.422 10 0 CEAERO CCN(Cc1ncc(Cl)n1C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748275 174393229 /nfs/dbraw/zinc/39/32/29/174393229.db2.gz IYCSXJYTCQRUNP-FOSCPWQOSA-N 1 0 282.819 2.178 10 0 CEAERO CN(C)Nc1[nH+]cnc(NCc2ccccc2Cl)c1N ZINC000040760132 174396885 /nfs/dbraw/zinc/39/68/85/174396885.db2.gz YVSLVDRELATXPH-UHFFFAOYSA-N 1 0 292.774 2.213 10 0 CEAERO Nc1cc2c(cc1NCC[NH+]1CCCCCC1)NC(=O)C2 ZINC000040767647 174398092 /nfs/dbraw/zinc/39/80/92/174398092.db2.gz ZPZCRIULRKMVSY-UHFFFAOYSA-N 1 0 288.395 2.051 10 0 CEAERO CC(C)C[C@@H](CO)[NH2+]CC(=O)Nc1ccc(Cl)cc1 ZINC000040778454 174403948 /nfs/dbraw/zinc/40/39/48/174403948.db2.gz HDAVUGJEXDRVGH-ZDUSSCGKSA-N 1 0 284.787 2.275 10 0 CEAERO CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@H]([NH3+])C(C)C ZINC000040851646 174420509 /nfs/dbraw/zinc/42/05/09/174420509.db2.gz NMEOITZOCRBCGZ-LLVKDONJSA-N 1 0 298.408 2.463 10 0 CEAERO C[C@@H]1C[C@@H](O)C[N@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000401712573 414754280 /nfs/dbraw/zinc/75/42/80/414754280.db2.gz UUWSHGPWBJJZLF-MGPQQGTHSA-N 1 0 261.365 2.255 10 0 CEAERO CC[N@H+](C[C@@H](O)COCc1ccccc1)[C@@H]1CCCOC1 ZINC000402702829 414758037 /nfs/dbraw/zinc/75/80/37/414758037.db2.gz PIYNDSOMMJIYJZ-IAGOWNOFSA-N 1 0 293.407 2.065 10 0 CEAERO CN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1CC[NH2+]C1 ZINC000062116187 414759302 /nfs/dbraw/zinc/75/93/02/414759302.db2.gz WTVQRORNNUFOGF-NSHDSACASA-N 1 0 286.297 2.273 10 0 CEAERO C(C[N@@H+]1CC[C@H]2OCCN[C@@H]2C1)C1CCCCC1 ZINC000403995599 414772102 /nfs/dbraw/zinc/77/21/02/414772102.db2.gz KXKKQJNVXBGBRK-HUUCEWRRSA-N 1 0 252.402 2.020 10 0 CEAERO C[C@@H]1C[C@H]([NH2+]CC[C@]2(O)CCOC2)CC(C)(C)C1 ZINC000404163393 414773924 /nfs/dbraw/zinc/77/39/24/414773924.db2.gz ZUIMSLFPVSUZIO-IPYPFGDCSA-N 1 0 255.402 2.332 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCC(C2CCC2)CC1 ZINC000662856970 414777786 /nfs/dbraw/zinc/77/77/86/414777786.db2.gz AAKGXXNCMDHOPZ-GJZGRUSLSA-N 1 0 264.413 2.400 10 0 CEAERO [NH3+]Cc1ccc(NC(=O)[C@@H]2CCOC2)c(C(F)(F)F)c1 ZINC000041114380 174483709 /nfs/dbraw/zinc/48/37/09/174483709.db2.gz ZAZKFYSIXWFNPE-SECBINFHSA-N 1 0 288.269 2.139 10 0 CEAERO COc1ccc(Cl)cc1-c1nc([C@H](C)[NH3+])no1 ZINC000041121841 174487078 /nfs/dbraw/zinc/48/70/78/174487078.db2.gz IPCDGQPRMVPCNU-LURJTMIESA-N 1 0 253.689 2.418 10 0 CEAERO CCCCOC[C@H](O)C[N@@H+]1CCC[C@@H](OC(C)C)C1 ZINC000404519640 414786431 /nfs/dbraw/zinc/78/64/31/414786431.db2.gz HQXAYMRJCPRSQH-HUUCEWRRSA-N 1 0 273.417 2.053 10 0 CEAERO CC(C)c1cccc(OCC[NH2+]CCN(C)C)c1 ZINC000041307609 174516476 /nfs/dbraw/zinc/51/64/76/174516476.db2.gz LWMGQYBOAOYSAI-UHFFFAOYSA-N 1 0 250.386 2.340 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)N1CCc2ccccc2[C@@H](C)C1 ZINC000404884582 414790661 /nfs/dbraw/zinc/79/06/61/414790661.db2.gz DJMXVZSMUWGOSV-SWLSCSKDSA-N 1 0 260.381 2.302 10 0 CEAERO Cc1ccc(F)c(C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)c1 ZINC000662978829 414817168 /nfs/dbraw/zinc/81/71/68/414817168.db2.gz IAKLQUUMPZXJEP-JTQLQIEISA-N 1 0 278.249 2.096 10 0 CEAERO CN(C(=O)C1CCC(F)(F)CC1)[C@H](C[NH3+])C(F)(F)F ZINC000662987696 414818549 /nfs/dbraw/zinc/81/85/49/414818549.db2.gz WTESNESJLBPNAF-MRVPVSSYSA-N 1 0 288.260 2.160 10 0 CEAERO CC(C)(C)[C@@H]1C[N@H+](C[C@@H]2CCC[C@@H](O)C2)CCO1 ZINC000660441579 414823321 /nfs/dbraw/zinc/82/33/21/414823321.db2.gz GHIYRESFATWVLT-MCIONIFRSA-N 1 0 255.402 2.284 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccnc2ccccc21 ZINC000132786548 414825114 /nfs/dbraw/zinc/82/51/14/414825114.db2.gz JSBSTJHKULLSDF-FZMZJTMJSA-N 1 0 269.348 2.092 10 0 CEAERO O[C@@H]1CCCC[C@@H]1[C@H]1CCC[N@@H+]1CCO[C@H]1CC1(F)F ZINC000660465667 414835016 /nfs/dbraw/zinc/83/50/16/414835016.db2.gz RTCOKTJRIMLJLE-SYQHCUMBSA-N 1 0 289.366 2.426 10 0 CEAERO CC[NH2+][C@@H](C)c1cccc(NC(=O)N2CCOCC2)c1 ZINC000041708326 174611506 /nfs/dbraw/zinc/61/15/06/174611506.db2.gz DSEIZWOVIIBMDL-LBPRGKRZSA-N 1 0 277.368 2.221 10 0 CEAERO O[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)C1 ZINC000311883891 414862474 /nfs/dbraw/zinc/86/24/74/414862474.db2.gz YVHHOGIVNIBZEW-JJXSEGSLSA-N 1 0 267.413 2.165 10 0 CEAERO O[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)C1 ZINC000311883894 414863295 /nfs/dbraw/zinc/86/32/95/414863295.db2.gz YVHHOGIVNIBZEW-JONQDZQNSA-N 1 0 267.413 2.165 10 0 CEAERO C[C@H]1CCC[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CC1 ZINC000653150481 414926078 /nfs/dbraw/zinc/92/60/78/414926078.db2.gz CESWHEPVGLPSCC-NNYUYHANSA-N 1 0 292.345 2.469 10 0 CEAERO CN(CC1CCCCC1)C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653064422 414894073 /nfs/dbraw/zinc/89/40/73/414894073.db2.gz UEZFYLLGRKPXIX-VXGBXAGGSA-N 1 0 292.345 2.423 10 0 CEAERO CCCc1nccnc1N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000663273026 414899865 /nfs/dbraw/zinc/89/98/65/414899865.db2.gz VANQSKNQOQMJPV-AWEZNQCLSA-N 1 0 274.412 2.398 10 0 CEAERO CC(C)Oc1cncc(NCC[C@@H]([NH3+])C(C)C)n1 ZINC000663276152 414901204 /nfs/dbraw/zinc/90/12/04/414901204.db2.gz XAAQJUZSMHCEGD-LLVKDONJSA-N 1 0 252.362 2.049 10 0 CEAERO CC(C)C[C@H]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653089159 414901284 /nfs/dbraw/zinc/90/12/84/414901284.db2.gz YTGCXAWNNDVYSN-IJLUTSLNSA-N 1 0 292.345 2.279 10 0 CEAERO C[NH2+]C[C@H](C)Nc1ncnc2sc(C)c(C)c21 ZINC000663277964 414903286 /nfs/dbraw/zinc/90/32/86/414903286.db2.gz AMUZRODZYOLNNV-ZETCQYMHSA-N 1 0 250.371 2.328 10 0 CEAERO CCCN(CCO)c1ccccc1C[NH2+]C(C)C ZINC000042453096 174745230 /nfs/dbraw/zinc/74/52/30/174745230.db2.gz QHHVPMSOCNBKBR-UHFFFAOYSA-N 1 0 250.386 2.393 10 0 CEAERO CC1(C)COCCN1[C@@H](C[NH3+])c1ccccc1Cl ZINC000042461356 174751835 /nfs/dbraw/zinc/75/18/35/174751835.db2.gz VBFRVFFEVXCUIC-ZDUSSCGKSA-N 1 0 268.788 2.451 10 0 CEAERO C[C@H]1CCCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)[C@H]1C ZINC000653446127 414997734 /nfs/dbraw/zinc/99/77/34/414997734.db2.gz PMZRARZOJYNGMN-UKKRHICBSA-N 1 0 278.318 2.031 10 0 CEAERO C[NH2+][C@H](C)c1ccccc1N(CCOC)[C@@H](C)COC ZINC000042608088 174820571 /nfs/dbraw/zinc/82/05/71/174820571.db2.gz LGBQKFASPJXECD-UONOGXRCSA-N 1 0 280.412 2.455 10 0 CEAERO CCCCN([C@@H](C)CC)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000042611410 174824491 /nfs/dbraw/zinc/82/44/91/174824491.db2.gz CZBSXCDALIVVPS-ZDUSSCGKSA-N 1 0 290.473 2.216 10 0 CEAERO CN1C[C@H](C[NH2+]Cc2cccc(C(F)(F)F)c2)CC1=O ZINC000657693395 415049913 /nfs/dbraw/zinc/04/99/13/415049913.db2.gz BNLCNARWEDGMDB-NSHDSACASA-N 1 0 286.297 2.273 10 0 CEAERO OCC1CC([NH2+]Cc2cccc(Br)c2)C1 ZINC000657808377 415088538 /nfs/dbraw/zinc/08/85/38/415088538.db2.gz HFAIFGSLRREKLH-UHFFFAOYSA-N 1 0 270.170 2.310 10 0 CEAERO OCC1CC([NH2+]Cc2sccc2Br)C1 ZINC000657811411 415089468 /nfs/dbraw/zinc/08/94/68/415089468.db2.gz WRUMOJQSYYVQDH-UHFFFAOYSA-N 1 0 276.199 2.371 10 0 CEAERO CC(C)N(CCO)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000042946700 174922573 /nfs/dbraw/zinc/92/25/73/174922573.db2.gz INTFPKVZPBAYMU-ZDUSSCGKSA-N 1 0 256.777 2.043 10 0 CEAERO CC[C@H]([NH3+])[C@@H](SCCO)c1ccc(OC)cc1 ZINC000042965046 174928704 /nfs/dbraw/zinc/92/87/04/174928704.db2.gz SSPUHPADCXWRTI-STQMWFEESA-N 1 0 255.383 2.199 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1cccc(F)c1)N1CCOC[C@@H]1C ZINC000042971570 174935076 /nfs/dbraw/zinc/93/50/76/174935076.db2.gz LYYPZJMCEXKPBS-GLQYFDAESA-N 1 0 266.360 2.325 10 0 CEAERO [NH3+]C[C@@H](Sc1nnnn1C1CC1)c1cccc(Cl)c1 ZINC000043019142 174944521 /nfs/dbraw/zinc/94/45/21/174944521.db2.gz HJVOEOHAMPQAOF-LLVKDONJSA-N 1 0 295.799 2.454 10 0 CEAERO Cc1ccccc1[C@@H]([C@@H](C)[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000043033375 174949092 /nfs/dbraw/zinc/94/90/92/174949092.db2.gz NIUPXGBCLHCDGH-HLPPOEQASA-N 1 0 262.397 2.493 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1nc(N)cc(N)n1)c1ccsc1 ZINC000043126394 174977825 /nfs/dbraw/zinc/97/78/25/174977825.db2.gz PVFIMHNVKGZRTN-GZMMTYOYSA-N 1 0 295.437 2.273 10 0 CEAERO C[C@H]([NH3+])[C@H](c1cnn(C)c1)N1CCC[C@@H]1c1ccncc1 ZINC000043127702 174979089 /nfs/dbraw/zinc/97/90/89/174979089.db2.gz RJEMFGXEZICMJT-APHBMKBZSA-N 1 0 285.395 2.041 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1ccccn1)c1cnn(C)c1 ZINC000043237436 174987479 /nfs/dbraw/zinc/98/74/79/174987479.db2.gz JHAZRCMFKXPQQJ-DGCLKSJQSA-N 1 0 262.382 2.386 10 0 CEAERO Cc1ccc([C@H](C[NH3+])Sc2nnnn2C2CC2)s1 ZINC000043246422 174990597 /nfs/dbraw/zinc/99/05/97/174990597.db2.gz DBBKZFGMZFWNGX-JTQLQIEISA-N 1 0 281.410 2.170 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1sccc1C)N(CC(N)=O)CC(C)C ZINC000043249004 174993869 /nfs/dbraw/zinc/99/38/69/174993869.db2.gz NYVQUHOYWZKJOA-JSGCOSHPSA-N 1 0 297.468 2.278 10 0 CEAERO Cc1nc(C)n([C@H](c2sccc2C)[C@@H](C)[NH3+])n1 ZINC000043249241 174994058 /nfs/dbraw/zinc/99/40/58/174994058.db2.gz YCOZFZYOYPETKP-KCJUWKMLSA-N 1 0 250.371 2.201 10 0 CEAERO [NH3+][C@@H](c1cccc(Cl)c1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000043299969 175001126 /nfs/dbraw/zinc/00/11/26/175001126.db2.gz FNYSQJWVAPTLDK-RDDDGLTNSA-N 1 0 294.203 2.428 10 0 CEAERO CC[NH2+][C@H](c1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300822 175001413 /nfs/dbraw/zinc/00/14/13/175001413.db2.gz WABGGBONWWRVRT-ZWNOBZJWSA-N 1 0 289.347 2.050 10 0 CEAERO CC[NH2+][C@@H](c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300937 175001460 /nfs/dbraw/zinc/00/14/60/175001460.db2.gz MLZSKVYVRFRBDQ-KGLIPLIRSA-N 1 0 267.394 2.080 10 0 CEAERO CCC[NH2+][C@H](Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000043301296 175002065 /nfs/dbraw/zinc/00/20/65/175002065.db2.gz BMGZEKUNDXSTMW-LSDHHAIUSA-N 1 0 281.421 2.032 10 0 CEAERO CC[NH2+][C@H](c1cccc(OCC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043301075 175002124 /nfs/dbraw/zinc/00/21/24/175002124.db2.gz QHHPFBBJUASOCA-UKRRQHHQSA-N 1 0 297.420 2.171 10 0 CEAERO Cc1cccc([C@H](C[NH3+])N2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000043314404 175003870 /nfs/dbraw/zinc/00/38/70/175003870.db2.gz XDMUZBFGNVINLC-ZENOOKHLSA-N 1 0 262.397 2.412 10 0 CEAERO CC[NH+](CC)CCN[C@H](CO)c1cccc(C)c1C ZINC000043316153 175004695 /nfs/dbraw/zinc/00/46/95/175004695.db2.gz WUGXQEAXEDPADM-MRXNPFEDSA-N 1 0 264.413 2.268 10 0 CEAERO Cc1c(F)cccc1NC(=O)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000043322304 175006006 /nfs/dbraw/zinc/00/60/06/175006006.db2.gz FBEFEOHNPQNELB-MWLCHTKSSA-N 1 0 250.317 2.461 10 0 CEAERO c1cnn(Cc2ccccc2N[C@H]2CCC[NH2+]C2)c1 ZINC000043326302 175007677 /nfs/dbraw/zinc/00/76/77/175007677.db2.gz PBCWYLGCDMKXCW-AWEZNQCLSA-N 1 0 256.353 2.095 10 0 CEAERO CCCN(C(=O)c1cc(OC)ccc1O)[C@H]1CCC[NH2+]C1 ZINC000043327787 175009754 /nfs/dbraw/zinc/00/97/54/175009754.db2.gz WPZCUBGRZUKPQL-LBPRGKRZSA-N 1 0 292.379 2.005 10 0 CEAERO CCOC1CCN([C@@H](c2ccco2)[C@@H](C)[NH3+])CC1 ZINC000043335485 175011305 /nfs/dbraw/zinc/01/13/05/175011305.db2.gz DOOSJNDQYWAEFC-BXUZGUMPSA-N 1 0 252.358 2.169 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccco1)N(CCCO)C(C)C ZINC000043336113 175011742 /nfs/dbraw/zinc/01/17/42/175011742.db2.gz RTISPVHELKDXFI-GXTWGEPZSA-N 1 0 254.374 2.151 10 0 CEAERO C[C@H]([NH3+])[C@H](c1ccco1)N(CCO)C1CCCCC1 ZINC000043336135 175011775 /nfs/dbraw/zinc/01/17/75/175011775.db2.gz YLZOUAJOWMRTMO-SWLSCSKDSA-N 1 0 266.385 2.295 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccco1)N(CC)[C@@H](C)COC ZINC000043336293 175012282 /nfs/dbraw/zinc/01/22/82/175012282.db2.gz NJECBXIMMJSFLS-SGMGOOAPSA-N 1 0 254.374 2.415 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccccn1)N(C)C[C@@H]1CCCCO1 ZINC000043340055 175013781 /nfs/dbraw/zinc/01/37/81/175013781.db2.gz XLVXEWANGGVLLU-DZKIICNBSA-N 1 0 277.412 2.361 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccccn1)N(CCOC)CC(C)C ZINC000043340429 175014142 /nfs/dbraw/zinc/01/41/42/175014142.db2.gz XUKSTEDBFXXDSC-GDBMZVCRSA-N 1 0 279.428 2.464 10 0 CEAERO CCN(CC(F)(F)F)[C@@H](c1ccccn1)[C@@H](C)[NH3+] ZINC000043341128 175015363 /nfs/dbraw/zinc/01/53/63/175015363.db2.gz AJDDYBSQHYBIMU-MWLCHTKSSA-N 1 0 261.291 2.354 10 0 CEAERO C[C@H]([NH3+])[C@H](c1ccccn1)n1ccc(C(F)(F)F)n1 ZINC000043341584 175015561 /nfs/dbraw/zinc/01/55/61/175015561.db2.gz SRTPFUDKNFEQIZ-GZMMTYOYSA-N 1 0 270.258 2.234 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1nccn1C)c1ccccn1 ZINC000043344187 175016396 /nfs/dbraw/zinc/01/63/96/175016396.db2.gz FFYRFDIJASERJE-ZYHUDNBSSA-N 1 0 262.382 2.386 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1nc(C)cc(=O)[nH]1)c1ccccn1 ZINC000043344606 175016405 /nfs/dbraw/zinc/01/64/05/175016405.db2.gz YDUKGVYKLPNJFW-GXFFZTMASA-N 1 0 290.392 2.044 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1n[nH]c(C)n1)c1ccccn1 ZINC000043345323 175016629 /nfs/dbraw/zinc/01/66/29/175016629.db2.gz PKWZBDWMGZPNGD-ONGXEEELSA-N 1 0 263.370 2.079 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1cccnc1)N(C)[C@@H]1CCSC1 ZINC000043346276 175017330 /nfs/dbraw/zinc/01/73/30/175017330.db2.gz MNAQZUJGKLHILI-MGPQQGTHSA-N 1 0 265.426 2.297 10 0 CEAERO C[C@H]([NH3+])[C@H](c1cccnc1)n1ccc(C(F)(F)F)n1 ZINC000043349034 175019314 /nfs/dbraw/zinc/01/93/14/175019314.db2.gz VRDKTNYJODPLLO-GZMMTYOYSA-N 1 0 270.258 2.234 10 0 CEAERO CC[C@H]([NH3+])[C@H](OCCOC(C)C)c1cccnc1 ZINC000043350283 175019393 /nfs/dbraw/zinc/01/93/93/175019393.db2.gz GTIUEKCYHDSKPX-UONOGXRCSA-N 1 0 252.358 2.302 10 0 CEAERO CC[C@H]([NH3+])[C@@H](OC[C@@H]1CCCCO1)c1ccncc1 ZINC000043355697 175023071 /nfs/dbraw/zinc/02/30/71/175023071.db2.gz RXLBKWMXQVRHTQ-KKUMJFAQSA-N 1 0 264.369 2.446 10 0 CEAERO C[C@H]([NH3+])[C@H](Oc1ccc2c(c1)OCO2)c1ccncc1 ZINC000043355829 175023629 /nfs/dbraw/zinc/02/36/29/175023629.db2.gz GHBHGEWSDAXJNT-BONVTDFDSA-N 1 0 272.304 2.278 10 0 CEAERO C[C@@H]([NH3+])[C@@H](Oc1ccc(CO)cc1)c1ccncc1 ZINC000043356305 175023762 /nfs/dbraw/zinc/02/37/62/175023762.db2.gz QUFMQRNBRCPTLI-IAQYHMDHSA-N 1 0 258.321 2.041 10 0 CEAERO C[C@H]([NH3+])[C@@H](Oc1ccc(CO)cc1)c1ccncc1 ZINC000043356304 175023764 /nfs/dbraw/zinc/02/37/64/175023764.db2.gz QUFMQRNBRCPTLI-XHDPSFHLSA-N 1 0 258.321 2.041 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1nc(C)cc(=O)[nH]1)c1ccncc1 ZINC000043363226 175024094 /nfs/dbraw/zinc/02/40/94/175024094.db2.gz YHPMETJYIBAUBZ-WCQYABFASA-N 1 0 290.392 2.456 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)N1CCC(CO)CC1 ZINC000043364005 175024504 /nfs/dbraw/zinc/02/45/04/175024504.db2.gz OVSGGGHRCOUOKI-UKRRQHHQSA-N 1 0 266.385 2.071 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)N1CCC(OC)CC1 ZINC000043364103 175025019 /nfs/dbraw/zinc/02/50/19/175025019.db2.gz XABACJWXVAJWCG-HIFRSBDPSA-N 1 0 266.385 2.477 10 0 CEAERO Cc1ccc([C@H]([C@H](C)[NH3+])N2CCOC(C)(C)C2)o1 ZINC000043364453 175025364 /nfs/dbraw/zinc/02/53/64/175025364.db2.gz NDMHGJIUTUKQNT-AAEUAGOBSA-N 1 0 252.358 2.087 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)N(C)CC(=O)N(CC)CC ZINC000043364922 175025621 /nfs/dbraw/zinc/02/56/21/175025621.db2.gz BRECNJVNDSREBQ-BBRMVZONSA-N 1 0 295.427 2.167 10 0 CEAERO [NH3+]CCCc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000043391698 175034011 /nfs/dbraw/zinc/03/40/11/175034011.db2.gz VGMYOLVWVYHAFH-UHFFFAOYSA-N 1 0 257.215 2.045 10 0 CEAERO Cc1cc(C)cc([C@H](C[NH3+])N(C)Cc2cnn(C)c2)c1 ZINC000043394390 175035171 /nfs/dbraw/zinc/03/51/71/175035171.db2.gz XVYRIHKZRLSWAF-INIZCTEOSA-N 1 0 272.396 2.169 10 0 CEAERO Cc1cc(C)n2c(CC3(C[NH3+])CCCCC3)nnc2n1 ZINC000043413801 175037400 /nfs/dbraw/zinc/03/74/00/175037400.db2.gz SXYHLGJJEKKNMT-UHFFFAOYSA-N 1 0 273.384 2.193 10 0 CEAERO COc1cc([C@@H](C)[NH3+])ccc1OCC(=O)OC(C)C ZINC000043445920 175047812 /nfs/dbraw/zinc/04/78/12/175047812.db2.gz FPJJYBVVOATIGV-SNVBAGLBSA-N 1 0 267.325 2.045 10 0 CEAERO Cc1ccc([C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000043501801 175058729 /nfs/dbraw/zinc/05/87/29/175058729.db2.gz NPTXTIXMWWLNQM-IJEWVQPXSA-N 1 0 263.381 2.446 10 0 CEAERO C[C@@H]([NH3+])Cc1nc(-c2ccccc2Br)no1 ZINC000043560460 175066483 /nfs/dbraw/zinc/06/64/83/175066483.db2.gz WHJWACQIDJYNGP-SSDOTTSWSA-N 1 0 282.141 2.389 10 0 CEAERO Fc1ccc2c(c1)nc([C@H]1C[NH2+]CCO1)n2C1CC1 ZINC000043705088 175099260 /nfs/dbraw/zinc/09/92/60/175099260.db2.gz YEZYIULNABOZCC-CYBMUJFWSA-N 1 0 261.300 2.171 10 0 CEAERO O=C(N[C@H](c1cccs1)C1CCCC1)[C@H]1C[NH2+]CCO1 ZINC000043708360 175100959 /nfs/dbraw/zinc/10/09/59/175100959.db2.gz TUBHKJGEAFZTNQ-OCCSQVGLSA-N 1 0 294.420 2.084 10 0 CEAERO C[NH2+][C@@H](CN1CCC[C@@H](C)C1)c1ccc2c(c1)OCO2 ZINC000043811711 175110744 /nfs/dbraw/zinc/11/07/44/175110744.db2.gz LOXTXKFFJHTNRW-OCCSQVGLSA-N 1 0 276.380 2.408 10 0 CEAERO C[NH2+][C@@H](CN(C)C(C)C)c1ccc2c(c1)OCO2 ZINC000043813110 175110979 /nfs/dbraw/zinc/11/09/79/175110979.db2.gz PZGYRTZMWFZXHT-LBPRGKRZSA-N 1 0 250.342 2.016 10 0 CEAERO CCCN(CCC)[C@@H]1CC2(CC[C@H]1[NH2+]CC)OCCO2 ZINC000043814807 175111906 /nfs/dbraw/zinc/11/19/06/175111906.db2.gz BKFNAWOKNINSOG-HUUCEWRRSA-N 1 0 284.444 2.382 10 0 CEAERO C[NH2+][C@@H]1c2ccc(OC)cc2CC[C@@H]1N(C)C1CC1 ZINC000043822870 175114706 /nfs/dbraw/zinc/11/47/06/175114706.db2.gz QMVSNPZJYYBUIX-JKSUJKDBSA-N 1 0 260.381 2.365 10 0 CEAERO CC[NH2+][C@H]1c2ccccc2OC[C@H]1N1CCO[C@@H](CC)C1 ZINC000043893141 175118601 /nfs/dbraw/zinc/11/86/01/175118601.db2.gz HONNHSJXXDDNBA-LXZKKBNFSA-N 1 0 290.407 2.209 10 0 CEAERO CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N1CCOC(C)(C)C1 ZINC000043897810 175120420 /nfs/dbraw/zinc/12/04/20/175120420.db2.gz ODNBBMBJOQOGTE-RDBSUJKOSA-N 1 0 254.418 2.264 10 0 CEAERO CCOc1ccc([C@@H](CN(C)C2CCOCC2)[NH2+]C)cc1 ZINC000043898199 175120892 /nfs/dbraw/zinc/12/08/92/175120892.db2.gz RMEOCIMABHEWOE-QGZVFWFLSA-N 1 0 292.423 2.457 10 0 CEAERO CCC[NH2+][C@H]1CCCC[C@H]1N1CCOC[C@@H]1CC ZINC000043899442 175121925 /nfs/dbraw/zinc/12/19/25/175121925.db2.gz OJMVTJHBGNFABK-SOUVJXGZSA-N 1 0 254.418 2.408 10 0 CEAERO CCOC1CCN([C@H]2CCCCC[C@H]2[NH2+]C)CC1 ZINC000043906921 175122523 /nfs/dbraw/zinc/12/25/23/175122523.db2.gz ZSYZNJLOVUBNRS-CABCVRRESA-N 1 0 254.418 2.408 10 0 CEAERO CCC[NH2+][C@H]1CCC[C@@H]1N1CCC(OCC)CC1 ZINC000043907533 175123256 /nfs/dbraw/zinc/12/32/56/175123256.db2.gz QAHBRICSNHZHGV-GJZGRUSLSA-N 1 0 254.418 2.408 10 0 CEAERO CCC[NH2+][C@H]1CCOC[C@H]1N(C)Cc1ccccc1OC ZINC000043912365 175123807 /nfs/dbraw/zinc/12/38/07/175123807.db2.gz HLUSWHFSLYGIGT-JKSUJKDBSA-N 1 0 292.423 2.284 10 0 CEAERO CCC[NH2+][C@H]1CCOC[C@@H]1N(C)Cc1ccc(F)cc1 ZINC000043911400 175123840 /nfs/dbraw/zinc/12/38/40/175123840.db2.gz IDUDWNJBBBDIDT-HOTGVXAUSA-N 1 0 280.387 2.415 10 0 CEAERO CC[NH2+][C@H](CN(CCOC)CCOC)c1ccc(C)cc1 ZINC000043912689 175124201 /nfs/dbraw/zinc/12/42/01/175124201.db2.gz UHBLGBOLLSZIFT-QGZVFWFLSA-N 1 0 294.439 2.240 10 0 CEAERO CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N(CCOC)CCOC ZINC000043912884 175124523 /nfs/dbraw/zinc/12/45/23/175124523.db2.gz FTYPEMFICHGHLH-OAGGEKHMSA-N 1 0 286.460 2.138 10 0 CEAERO CC[NH2+][C@@H](CN(C)CCOC)c1cc(C)ccc1OC ZINC000043916000 175125175 /nfs/dbraw/zinc/12/51/75/175125175.db2.gz PVXKQAOGEFTYFW-HNNXBMFYSA-N 1 0 280.412 2.232 10 0 CEAERO C[NH2+][C@@H](CN1CCOCC1(C)C)c1ccc(C)cc1 ZINC000043916598 175125474 /nfs/dbraw/zinc/12/54/74/175125474.db2.gz FTECISHKOPLBNJ-HNNXBMFYSA-N 1 0 262.397 2.366 10 0 CEAERO CC[NH2+][C@H]1CCOC[C@@H]1N(C)C1CCC(C)CC1 ZINC000043967028 175128089 /nfs/dbraw/zinc/12/80/89/175128089.db2.gz NYXKTMKOGSFVRR-WUCCLRPBSA-N 1 0 254.418 2.264 10 0 CEAERO C[NH2+][C@H]1CCCCCC[C@H]1N(C)Cc1cnn(C)c1 ZINC000043967146 175128639 /nfs/dbraw/zinc/12/86/39/175128639.db2.gz WOKSLRRVHSVYKA-LSDHHAIUSA-N 1 0 264.417 2.163 10 0 CEAERO CCc1ccc([C@@H](CN(C)[C@@H](C)COC)[NH2+]C)cc1 ZINC000043969123 175130256 /nfs/dbraw/zinc/13/02/56/175130256.db2.gz FVNYPYOMGMPAPP-XJKSGUPXSA-N 1 0 264.413 2.476 10 0 CEAERO CC[NH2+][C@H](CN(CCOC)C1CC1)c1ccccc1OC ZINC000043969910 175131233 /nfs/dbraw/zinc/13/12/33/175131233.db2.gz XXYPHTBLZRTBCL-MRXNPFEDSA-N 1 0 292.423 2.457 10 0 CEAERO C[NH2+][C@@H]1CCCCCC[C@H]1N(CCCOC)CCOC ZINC000043970879 175132174 /nfs/dbraw/zinc/13/21/74/175132174.db2.gz VHBUWDMTJVWJHX-HZPDHXFCSA-N 1 0 286.460 2.282 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]CC[C@H](COC)OC)c1C ZINC000658081197 415196194 /nfs/dbraw/zinc/19/61/94/415196194.db2.gz BKMLAWKJYFKPTA-BXUZGUMPSA-N 1 0 283.416 2.222 10 0 CEAERO CC(C)NC(=O)[C@H](C)Oc1ccc2c(c1)CCC[C@@H]2[NH3+] ZINC000044744920 175241492 /nfs/dbraw/zinc/24/14/92/175241492.db2.gz COYYORKKGONDQG-NHYWBVRUSA-N 1 0 276.380 2.315 10 0 CEAERO C[C@@H](CN1CCOCC1)[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000044747132 175242536 /nfs/dbraw/zinc/24/25/36/175242536.db2.gz CFDSUXBISFIDTB-SUMWQHHRSA-N 1 0 290.407 2.080 10 0 CEAERO COCCOCCC[NH2+][C@H]1CCCc2cc(O)ccc21 ZINC000044746931 175242737 /nfs/dbraw/zinc/24/27/37/175242737.db2.gz FQAJTENPVZGDFF-INIZCTEOSA-N 1 0 279.380 2.412 10 0 CEAERO COc1ccc(NC(=O)C2(C[NH3+])CCCCCC2)cn1 ZINC000044753028 175245583 /nfs/dbraw/zinc/24/55/83/175245583.db2.gz JWGVKJAVDNXFHP-UHFFFAOYSA-N 1 0 277.368 2.328 10 0 CEAERO [NH3+]CC1(C(=O)N2CCc3ccccc3C2)CCCCC1 ZINC000044752994 175245610 /nfs/dbraw/zinc/24/56/10/175245610.db2.gz WWDOFJCPOQYWOZ-UHFFFAOYSA-N 1 0 272.392 2.481 10 0 CEAERO CCO[C@@H]1CCCN(C(=O)C2(C[NH3+])CCCCCC2)C1 ZINC000044764012 175247840 /nfs/dbraw/zinc/24/78/40/175247840.db2.gz OEJWSTWQIJEOCK-CQSZACIVSA-N 1 0 282.428 2.313 10 0 CEAERO C[C@@H]1CCCCN1C(=O)[C@@H](C[NH3+])Cc1ccccc1 ZINC000044795525 175254704 /nfs/dbraw/zinc/25/47/04/175254704.db2.gz XYVAJQOWGDHGKK-UKRRQHHQSA-N 1 0 260.381 2.205 10 0 CEAERO CCOc1ccc(OCC)c(NC(=O)[C@@H](CC)C[NH3+])c1 ZINC000044798203 175255190 /nfs/dbraw/zinc/25/51/90/175255190.db2.gz CJQRREYCLQERQX-NSHDSACASA-N 1 0 280.368 2.407 10 0 CEAERO CCC[C@@H](C[NH3+])C(=O)N(CCOC)C(CC)CC ZINC000044807855 175257033 /nfs/dbraw/zinc/25/70/33/175257033.db2.gz IERLNLJQEYPFRJ-LBPRGKRZSA-N 1 0 258.406 2.025 10 0 CEAERO O=S(=O)(C[C@@H]1CCC[NH2+]1)Nc1ccc2ccccc2c1 ZINC000044881433 175269868 /nfs/dbraw/zinc/26/98/68/175269868.db2.gz MZEUZGHLNQPVTL-HNNXBMFYSA-N 1 0 290.388 2.334 10 0 CEAERO CCCC[C@H](CC)C[NH2+][C@@]1(C)CCS(=O)(=O)C1 ZINC000044929929 175280350 /nfs/dbraw/zinc/28/03/50/175280350.db2.gz MTUWWHVHSZWOMM-STQMWFEESA-N 1 0 261.431 2.370 10 0 CEAERO C[C@@H]([NH3+])c1cccc(NC(=O)NC[C@H]2CCCOC2)c1 ZINC000044981674 175283544 /nfs/dbraw/zinc/28/35/44/175283544.db2.gz WOKQKUUZUQIFMK-VXGBXAGGSA-N 1 0 277.368 2.254 10 0 CEAERO CCCOc1ccc([C@@H](C)[NH2+]CCC(=O)NC)cc1 ZINC000044988075 175284958 /nfs/dbraw/zinc/28/49/58/175284958.db2.gz LABWYVYMZINADG-GFCCVEGCSA-N 1 0 264.369 2.262 10 0 CEAERO C[C@H](C[NH2+][C@H](C)C(=O)Nc1ccccc1)N1CCCCC1 ZINC000044993152 175286597 /nfs/dbraw/zinc/28/65/97/175286597.db2.gz AFXDIRKZPNJINU-HUUCEWRRSA-N 1 0 289.423 2.478 10 0 CEAERO CC[C@H](C)NC(=O)CCNC1=[NH+][C@H](CC(C)C)CS1 ZINC000045005986 175288333 /nfs/dbraw/zinc/28/83/33/175288333.db2.gz WLJMUHOWOUUMCK-NWDGAFQWSA-N 1 0 285.457 2.398 10 0 CEAERO CCCC1N=NC(=S)N1C[C@@H](C)[NH+]1CCCCC1 ZINC000045005110 175288375 /nfs/dbraw/zinc/28/83/75/175288375.db2.gz RUWNIHUAWYJUOA-LLVKDONJSA-N 1 0 268.430 2.394 10 0 CEAERO COCC[C@](C)(C[NH3+])N(C)Cc1cccc(C)c1 ZINC000045043388 175294711 /nfs/dbraw/zinc/29/47/11/175294711.db2.gz OFEKBJOVFDDRPK-OAHLLOKOSA-N 1 0 250.386 2.181 10 0 CEAERO CCCNC(=O)CC[NH2+][C@H]1CSCc2ccccc21 ZINC000045072932 175302357 /nfs/dbraw/zinc/30/23/57/175302357.db2.gz UZAGANLGCRZSTR-AWEZNQCLSA-N 1 0 278.421 2.480 10 0 CEAERO C[C@@]([NH3+])(C(=O)N1CCC[C@H]1C1CCCC1)C1CC1 ZINC000045088362 175304351 /nfs/dbraw/zinc/30/43/51/175304351.db2.gz MPSZODUUSMUHIR-ZFWWWQNUSA-N 1 0 250.386 2.295 10 0 CEAERO C[C@@H]([NH3+])c1ccc(S(=O)(=O)N(C)CC(C)(C)C)cc1 ZINC000045089932 175305451 /nfs/dbraw/zinc/30/54/51/175305451.db2.gz ZKAADVBFWGYZPR-LLVKDONJSA-N 1 0 284.425 2.373 10 0 CEAERO CC(C)COc1nc(NC[C@H](C)[NH+](C)C)ccc1N ZINC000045105922 175307396 /nfs/dbraw/zinc/30/73/96/175307396.db2.gz SCBWILLPZJIQEN-NSHDSACASA-N 1 0 266.389 2.061 10 0 CEAERO C[C@@H](CNc1ccc(N)c(OC(C)(C)C)n1)[NH+](C)C ZINC000045105927 175307775 /nfs/dbraw/zinc/30/77/75/175307775.db2.gz CIWIZOMJGSJILG-JTQLQIEISA-N 1 0 266.389 2.203 10 0 CEAERO Cn1ccnc1CC[NH2+]Cc1cccc(F)c1F ZINC000045134441 175312369 /nfs/dbraw/zinc/31/23/69/175312369.db2.gz YMBXXNSXPUCRRO-UHFFFAOYSA-N 1 0 251.280 2.031 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])c1nc(-c2c(C)nn(C)c2C)c[nH]1 ZINC000045169388 175320201 /nfs/dbraw/zinc/32/02/01/175320201.db2.gz HSTYENFOOLZFKW-AMIZOPFISA-N 1 0 261.373 2.473 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]C[C@H](C)N(C)C)c1C ZINC000045172008 175321965 /nfs/dbraw/zinc/32/19/65/175321965.db2.gz CYBFPEIHKDCHIC-WDEREUQCSA-N 1 0 252.406 2.121 10 0 CEAERO CCn1nc(C)c([C@@H](C)N2CCCC[C@@H]2C[NH3+])c1C ZINC000045173313 175322353 /nfs/dbraw/zinc/32/23/53/175322353.db2.gz QZISSQFGHGFCEG-TZMCWYRMSA-N 1 0 264.417 2.394 10 0 CEAERO CCCC[N@H+](C)C[C@](C)(NC(C)C)C(=O)OCC ZINC000045222089 175330836 /nfs/dbraw/zinc/33/08/36/175330836.db2.gz OXNOQCLOCKTOPS-AWEZNQCLSA-N 1 0 258.406 2.038 10 0 CEAERO CCN[C@](C)(CC[NH+]1CCCCCCC1)C(=O)OC ZINC000045223767 175331325 /nfs/dbraw/zinc/33/13/25/175331325.db2.gz XBCKFTYISMGVCZ-OAHLLOKOSA-N 1 0 270.417 2.184 10 0 CEAERO CCCN[C@@](C)(CC[N@H+]1C[C@H](C)C[C@H](C)C1)C(=O)OC ZINC000045224672 175332540 /nfs/dbraw/zinc/33/25/40/175332540.db2.gz ZJHKLWPDGGJYGY-LZWOXQAQSA-N 1 0 284.444 2.286 10 0 CEAERO CCCN[C@](C)(CC[NH+]1CCC(C)CC1)C(=O)OC ZINC000045225560 175332907 /nfs/dbraw/zinc/33/29/07/175332907.db2.gz GAKXJQAKGGHXGU-OAHLLOKOSA-N 1 0 270.417 2.040 10 0 CEAERO CCN[C@](C[NH+](CC)CC)(C(=O)OC)c1ccccc1 ZINC000045226479 175333500 /nfs/dbraw/zinc/33/35/00/175333500.db2.gz BPCZBEWRFFVJLU-INIZCTEOSA-N 1 0 278.396 2.006 10 0 CEAERO CCC[NH+](CCC)C[C@@](C)(NC1CC1)C(=O)OCC ZINC000045230381 175334642 /nfs/dbraw/zinc/33/46/42/175334642.db2.gz LFWUYRQXLJGMSN-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CCC[NH2+][C@@](C)(CCN(CC)c1ccccc1)C(N)=O ZINC000045232168 175335717 /nfs/dbraw/zinc/33/57/17/175335717.db2.gz NAFLJEHPNAOENL-INIZCTEOSA-N 1 0 277.412 2.147 10 0 CEAERO CCOC(=O)[C@@](C)(C[N@H+](CC)CC(C)C)NC1CC1 ZINC000045264151 175337743 /nfs/dbraw/zinc/33/77/43/175337743.db2.gz GLDXHVJPAZNUQE-OAHLLOKOSA-N 1 0 270.417 2.038 10 0 CEAERO CCN[C@@](C[N@H+](C)C1CC1)(C(=O)OCC)c1ccccc1 ZINC000045265015 175338604 /nfs/dbraw/zinc/33/86/04/175338604.db2.gz JJJFNUQLMILACD-QGZVFWFLSA-N 1 0 290.407 2.149 10 0 CEAERO CC[N@H+](CC[C@](C)(NC(C)C)C(=O)OC)C(C)C ZINC000045265680 175338608 /nfs/dbraw/zinc/33/86/08/175338608.db2.gz MHRWQIYCVAXKHQ-AWEZNQCLSA-N 1 0 258.406 2.037 10 0 CEAERO CCN[C@@](C)(CC[N@H+](CC)C(C)C)C(=O)OCC ZINC000045265648 175338691 /nfs/dbraw/zinc/33/86/91/175338691.db2.gz VBQXXYPIFOPYKO-AWEZNQCLSA-N 1 0 258.406 2.038 10 0 CEAERO CCC[N@H+](CC[C@](C)(NC(C)C)C(=O)OC)C1CC1 ZINC000045268018 175339812 /nfs/dbraw/zinc/33/98/12/175339812.db2.gz WDDJMJCCBWJBMG-HNNXBMFYSA-N 1 0 270.417 2.181 10 0 CEAERO CC[N@H+](C[C@@](C)(NC(C)C)C(=O)OC)C1CCCC1 ZINC000045269238 175340471 /nfs/dbraw/zinc/34/04/71/175340471.db2.gz AZBSSDPJPWFJFB-OAHLLOKOSA-N 1 0 270.417 2.181 10 0 CEAERO CCCN[C@@](C)(C[N@H+](C)C[C@@H](C)CC)C(=O)OCC ZINC000045268385 175340819 /nfs/dbraw/zinc/34/08/19/175340819.db2.gz ZOHONHHLMGMIRC-ZFWWWQNUSA-N 1 0 272.433 2.286 10 0 CEAERO CCN[C@](C)(CC[N@H+](C)C(CC)CC)C(=O)OC ZINC000045269726 175341208 /nfs/dbraw/zinc/34/12/08/175341208.db2.gz KNNBVYZABMCQHY-CQSZACIVSA-N 1 0 258.406 2.038 10 0 CEAERO CCC(CC)[N@H+](C)CC[C@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045269693 175341306 /nfs/dbraw/zinc/34/13/06/175341306.db2.gz ATCXMXBRQSYLIX-AWEZNQCLSA-N 1 0 258.406 2.338 10 0 CEAERO CCCN[C@](C)(CC[N@H+](C)[C@@H](C)C(C)C)C(=O)OC ZINC000045269951 175341885 /nfs/dbraw/zinc/34/18/85/175341885.db2.gz HRODBXDHGCRSHF-DZGCQCFKSA-N 1 0 272.433 2.284 10 0 CEAERO CC[NH2+][C@](C)(CC[N@H+](C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000045274772 175344782 /nfs/dbraw/zinc/34/47/82/175344782.db2.gz UGXGESJSFYZFDH-SMDDNHRTSA-N 1 0 258.406 2.196 10 0 CEAERO CCC[N@H+](CC[C@@](C)([NH2+]C(C)C)C(=O)[O-])CC1CC1 ZINC000045276877 175346727 /nfs/dbraw/zinc/34/67/27/175346727.db2.gz CEVWSZHPQVCSER-OAHLLOKOSA-N 1 0 270.417 2.340 10 0 CEAERO CCCN[C@](C)(C[N@H+](CC(C)C)C1CC1)C(=O)OCC ZINC000045277501 175347571 /nfs/dbraw/zinc/34/75/71/175347571.db2.gz SBPXEVGBVITNAT-MRXNPFEDSA-N 1 0 284.444 2.428 10 0 CEAERO C[C@](CC[N@@H+]1CCC[C@@H]1C1CCCC1)(NC1CC1)C(N)=O ZINC000045277434 175347794 /nfs/dbraw/zinc/34/77/94/175347794.db2.gz PAKGERMMIJTHTD-NVXWUHKLSA-N 1 0 293.455 2.027 10 0 CEAERO CCOC(=O)[C@](C)(N)CC[N@H+](CC)CC(CC)CC ZINC000045277832 175348083 /nfs/dbraw/zinc/34/80/83/175348083.db2.gz UUJGBTNFMKABJX-OAHLLOKOSA-N 1 0 272.433 2.415 10 0 CEAERO COC(=O)[C@](C)(CC[N@H+](C)CC(C)(C)C)NC(C)C ZINC000045279391 175348933 /nfs/dbraw/zinc/34/89/33/175348933.db2.gz HRSXVMBUVDZZAU-HNNXBMFYSA-N 1 0 272.433 2.284 10 0 CEAERO CN[C@](C[N@H+](C)CC(C)(C)C)(C(=O)OC)c1ccccc1 ZINC000045279306 175349328 /nfs/dbraw/zinc/34/93/28/175349328.db2.gz RPAXHHIFOOZJJV-KRWDZBQOSA-N 1 0 292.423 2.252 10 0 CEAERO CCN[C@](C)(CC[N@H+](C)[C@@H](C)CC(C)C)C(=O)OC ZINC000045280018 175350284 /nfs/dbraw/zinc/35/02/84/175350284.db2.gz KDOYTIRRDOFOFI-DZGCQCFKSA-N 1 0 272.433 2.284 10 0 CEAERO CCC1CCC([N@H+](C)CC[C@@](C)([NH3+])C(=O)[O-])CC1 ZINC000045281070 175351613 /nfs/dbraw/zinc/35/16/13/175351613.db2.gz NHJQBYWUZUHONB-ORHYLEIMSA-N 1 0 256.390 2.079 10 0 CEAERO CCOC(=O)[C@](N)(C[N@H+](C)CCC(C)C)c1ccccc1 ZINC000045281180 175352204 /nfs/dbraw/zinc/35/22/04/175352204.db2.gz ZROHRANUWBFSOR-KRWDZBQOSA-N 1 0 292.423 2.382 10 0 CEAERO CCCC[N@H+](C[C@@](C)(NC)C(=O)OC)[C@@H](C)CC ZINC000045282531 175352419 /nfs/dbraw/zinc/35/24/19/175352419.db2.gz URWGXRCPNIXDAR-GXTWGEPZSA-N 1 0 258.406 2.038 10 0 CEAERO CCCC[N@H+](C[C@](C)(NCCC)C(N)=O)[C@@H](C)CC ZINC000045282563 175353138 /nfs/dbraw/zinc/35/31/38/175353138.db2.gz ZSVRDWGAZLDKHX-ZFWWWQNUSA-N 1 0 271.449 2.131 10 0 CEAERO CCCC[N@H+](C)CCC[C@](C)([NH2+]CCC)C(=O)[O-] ZINC000045368310 175362977 /nfs/dbraw/zinc/36/29/77/175362977.db2.gz KCWIXVFVGLAYRB-AWEZNQCLSA-N 1 0 258.406 2.341 10 0 CEAERO CC(C)[NH2+][C@](C)(CCC[NH+]1CCC(C)CC1)C(=O)[O-] ZINC000045374901 175365966 /nfs/dbraw/zinc/36/59/66/175365966.db2.gz DBYDFLXAOMHJGM-OAHLLOKOSA-N 1 0 270.417 2.340 10 0 CEAERO CCCN[C@](C)(CCCC[NH+]1CCCC1)C(=O)OC ZINC000045375272 175366289 /nfs/dbraw/zinc/36/62/89/175366289.db2.gz GEKHEKMEGWBSDE-OAHLLOKOSA-N 1 0 270.417 2.184 10 0 CEAERO C[NH2+][C@](C)(CCCC[N@H+](C)C1CCCCC1)C(=O)[O-] ZINC000045379040 175368567 /nfs/dbraw/zinc/36/85/67/175368567.db2.gz CWLMFKGXRYEBHW-OAHLLOKOSA-N 1 0 270.417 2.484 10 0 CEAERO CCN[C@@](C)(CCCC[N@H+](C)CC(C)C)C(=O)OC ZINC000045380858 175369661 /nfs/dbraw/zinc/36/96/61/175369661.db2.gz CUMLESOZLSWXSE-HNNXBMFYSA-N 1 0 272.433 2.286 10 0 CEAERO CC(C)C[N@H+](C)CCCC[C@@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000045380821 175370200 /nfs/dbraw/zinc/37/02/00/175370200.db2.gz KFVOLZZKQCXOSQ-OAHLLOKOSA-N 1 0 270.417 2.340 10 0 CEAERO CCC[NH2+][C@@](C)(CCCC[N@H+](C)C1CC1)C(=O)[O-] ZINC000045383119 175371418 /nfs/dbraw/zinc/37/14/18/175371418.db2.gz NAIKCGLZPFZTTG-AWEZNQCLSA-N 1 0 256.390 2.094 10 0 CEAERO CCN[C@@](C)(CCC[N@H+](C)C1CCCC1)C(=O)OC ZINC000045384859 175371741 /nfs/dbraw/zinc/37/17/41/175371741.db2.gz CURIYLLYLUIAHD-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO C[NH2+][C@@](C)(CCC[N@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000045419151 175377295 /nfs/dbraw/zinc/37/72/95/175377295.db2.gz UOEVMRGXHNCXIK-HNNXBMFYSA-N 1 0 270.417 2.484 10 0 CEAERO CN[C@](C)(CCC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)OC ZINC000045419346 175377830 /nfs/dbraw/zinc/37/78/30/175377830.db2.gz GUPDTUYSQDRDSG-ZMSDIMECSA-N 1 0 296.455 2.430 10 0 CEAERO CCN[C@@H](C[NH+](CC(C)C)CC(C)C)C(=O)OCC ZINC000045420363 175378349 /nfs/dbraw/zinc/37/83/49/175378349.db2.gz WONGKNWVIKHWKW-AWEZNQCLSA-N 1 0 272.433 2.142 10 0 CEAERO CC[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1ccsc1 ZINC000658240304 415273585 /nfs/dbraw/zinc/27/35/85/415273585.db2.gz IEZNKBHOGGSUHE-PWSUYJOCSA-N 1 0 252.383 2.267 10 0 CEAERO CN1C[C@H](C[NH2+][C@H](c2ccc(F)cc2)C2CC2)CC1=O ZINC000658241685 415273692 /nfs/dbraw/zinc/27/36/92/415273692.db2.gz YSPZEFCCENXUSW-ZBEGNZNMSA-N 1 0 276.355 2.345 10 0 CEAERO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1cccc(F)c1F ZINC000658241646 415274344 /nfs/dbraw/zinc/27/43/44/415274344.db2.gz YNOGDCAQHLEBMY-UWVGGRQHSA-N 1 0 268.307 2.094 10 0 CEAERO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1cccc(Cl)c1 ZINC000658244536 415281399 /nfs/dbraw/zinc/28/13/99/415281399.db2.gz LXSQYTGKRIMCNX-QWRGUYRKSA-N 1 0 266.772 2.469 10 0 CEAERO COc1ccc(C)cc1[C@H](C)[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000658246342 415281465 /nfs/dbraw/zinc/28/14/65/415281465.db2.gz YMHWZTXBRMVVEL-STQMWFEESA-N 1 0 276.380 2.133 10 0 CEAERO Cc1ccc(C)c([C@H](C)[NH2+]C[C@H]2CC(=O)N(C)C2)c1 ZINC000658246137 415281599 /nfs/dbraw/zinc/28/15/99/415281599.db2.gz XYVOYQGHUHOPSA-UONOGXRCSA-N 1 0 260.381 2.432 10 0 CEAERO COc1cc(OC)c([C@H]2CC[NH2+][C@@H]2C)cc1OC ZINC000051954078 175528548 /nfs/dbraw/zinc/52/85/48/175528548.db2.gz SPXKHZCDVSZCFZ-ZJUUUORDSA-N 1 0 251.326 2.178 10 0 CEAERO C[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)C1CCC(F)(F)CC1 ZINC000655526908 415327141 /nfs/dbraw/zinc/32/71/41/415327141.db2.gz VZCBXZJEZREKJF-JFGNBEQYSA-N 1 0 274.355 2.172 10 0 CEAERO C[C@H]([NH3+])c1ccc(S(=O)(=O)N(C)CC2CCC2)cc1 ZINC000061484688 175648114 /nfs/dbraw/zinc/64/81/14/175648114.db2.gz DDUFIQUUNZVMJP-NSHDSACASA-N 1 0 282.409 2.127 10 0 CEAERO O=C([C@H]1CCC[NH2+]C1)N1CC[C@H](C2CCCCC2)C1 ZINC000659357500 415536484 /nfs/dbraw/zinc/53/64/84/415536484.db2.gz JGHJEWQFUJSCCP-GJZGRUSLSA-N 1 0 264.413 2.415 10 0 CEAERO CC[C@H]1C[C@@](C[NH3+])(N2CCc3ccccc32)CCO1 ZINC000070362701 175890564 /nfs/dbraw/zinc/89/05/64/175890564.db2.gz RANMKHNAGSZNML-HOCLYGCPSA-N 1 0 260.381 2.336 10 0 CEAERO COc1ccccc1C[C@@H]([NH3+])c1cc(C)cnc1N ZINC000070404704 175912318 /nfs/dbraw/zinc/91/23/18/175912318.db2.gz JTRNSXZDQKIFPM-CYBMUJFWSA-N 1 0 257.337 2.223 10 0 CEAERO C[C@H]1CCCCCN1S(=O)(=O)Cc1ccccc1C[NH3+] ZINC000070409208 175913979 /nfs/dbraw/zinc/91/39/79/175913979.db2.gz PRAJMTOMRCHTLL-ZDUSSCGKSA-N 1 0 296.436 2.240 10 0 CEAERO C[C@@H]1CCCCCN1S(=O)(=O)c1ccc(CC[NH3+])cc1 ZINC000070411218 175914749 /nfs/dbraw/zinc/91/47/49/175914749.db2.gz CJLITUJSQRDICY-CYBMUJFWSA-N 1 0 296.436 2.141 10 0 CEAERO Cc1cccc(-c2cc3c(N4CC[C@H]([NH3+])C4)nccn3n2)c1 ZINC000070459344 175941496 /nfs/dbraw/zinc/94/14/96/175941496.db2.gz PKWDMFINOOGYTE-AWEZNQCLSA-N 1 0 293.374 2.242 10 0 CEAERO Cc1ccc(C)c(-c2cc(N3CCC[NH2+]CC3)n[nH]2)c1 ZINC000070460008 175942159 /nfs/dbraw/zinc/94/21/59/175942159.db2.gz SHQQDLJDBXAZDP-UHFFFAOYSA-N 1 0 270.380 2.493 10 0 CEAERO C[NH2+]C[C@@H](CCOCCOC)Cc1ccc(OC)cc1 ZINC000070483123 175953404 /nfs/dbraw/zinc/95/34/04/175953404.db2.gz PQVUZPMLSWHIOY-HNNXBMFYSA-N 1 0 281.396 2.126 10 0 CEAERO C[NH2+][C@@H](c1ccc2c(c1)OC[C@H](C)CO2)[C@@H]1CCOC1 ZINC000070510206 175960424 /nfs/dbraw/zinc/96/04/24/175960424.db2.gz DOVXAIPGQSTXKE-KFNAQCHYSA-N 1 0 277.364 2.391 10 0 CEAERO COCCc1ccc(OCC[C@@](C)(CO)[NH2+]C(C)C)cc1 ZINC000070519357 175966580 /nfs/dbraw/zinc/96/65/80/175966580.db2.gz PKTMQKZVIFHSLF-KRWDZBQOSA-N 1 0 295.423 2.393 10 0 CEAERO C[C@@H]1CCC[C@H](CC[NH2+]CC(=O)N2CCCC2)C1 ZINC000070539013 175976127 /nfs/dbraw/zinc/97/61/27/175976127.db2.gz HPAHTAZABCRFEE-ZIAGYGMSSA-N 1 0 252.402 2.415 10 0 CEAERO [NH3+]CCc1ccc(C(=O)NCc2ccc(F)cc2F)cc1 ZINC000070552920 175981868 /nfs/dbraw/zinc/98/18/68/175981868.db2.gz FJDHPKAUSDCCSZ-UHFFFAOYSA-N 1 0 290.313 2.396 10 0 CEAERO [NH3+][C@H]1CCC[C@H](C(=O)N2CCC[C@@H]2c2cccnc2)C1 ZINC000070574316 175989656 /nfs/dbraw/zinc/98/96/56/175989656.db2.gz CABHIAUXOZLJMN-AEGPPILISA-N 1 0 273.380 2.263 10 0 CEAERO [NH3+]Cc1ccnn1Cc1cc(Br)cs1 ZINC000070708254 176002466 /nfs/dbraw/zinc/00/24/66/176002466.db2.gz PPLDFHVSALBLQU-UHFFFAOYSA-N 1 0 272.171 2.214 10 0 CEAERO C[NH2+]Cc1cnn(Cc2ccc(Br)s2)c1 ZINC000070708685 176002559 /nfs/dbraw/zinc/00/25/59/176002559.db2.gz FVMAVNBREUTZIF-UHFFFAOYSA-N 1 0 286.198 2.475 10 0 CEAERO Cc1csc(CNC2=[NH+]C[C@@H](C3CC3)S2)n1 ZINC000070888480 176009933 /nfs/dbraw/zinc/00/99/33/176009933.db2.gz XCGJNQYBMZEDFH-VIFPVBQESA-N 1 0 253.396 2.423 10 0 CEAERO COc1ccc(CCC(=O)N(CC[NH3+])C2CCCC2)cc1 ZINC000070943667 176016295 /nfs/dbraw/zinc/01/62/95/176016295.db2.gz MNVZPHIYJVCEKX-UHFFFAOYSA-N 1 0 290.407 2.358 10 0 CEAERO Cc1cccc(OCCC(=O)N(CC[NH3+])C2CCCC2)c1 ZINC000070943535 176016340 /nfs/dbraw/zinc/01/63/40/176016340.db2.gz PPOQEGMNDDIRDM-UHFFFAOYSA-N 1 0 290.407 2.494 10 0 CEAERO Cc1ccc(CC(=O)N(CC[NH3+])C2CCCC2)cc1 ZINC000070943624 176016724 /nfs/dbraw/zinc/01/67/24/176016724.db2.gz VDDOWPZKCFGDMQ-UHFFFAOYSA-N 1 0 260.381 2.267 10 0 CEAERO CC(C)N1C(=O)CC[C@@H]([NH3+])[C@@H]1c1cccc(F)c1F ZINC000070987015 176018635 /nfs/dbraw/zinc/01/86/35/176018635.db2.gz FFKABRZRJDQVRK-RISCZKNCSA-N 1 0 268.307 2.364 10 0 CEAERO C[C@@H](c1ccccc1)N1CCC[C@@H]([NH2+]C2CC2)C1=O ZINC000071032701 176023372 /nfs/dbraw/zinc/02/33/72/176023372.db2.gz HZSJSORIBVDVBE-SWLSCSKDSA-N 1 0 258.365 2.491 10 0 CEAERO CCC[NH2+][C@H]1CCN(c2nc(CC)c(C)s2)C1=O ZINC000071032265 176023546 /nfs/dbraw/zinc/02/35/46/176023546.db2.gz BROLJXNYDBLIQW-NSHDSACASA-N 1 0 267.398 2.119 10 0 CEAERO CC(C)[NH2+][C@@H]1CCCN([C@H](C)c2cccnc2)C1=O ZINC000071040076 176027421 /nfs/dbraw/zinc/02/74/21/176027421.db2.gz CHLMLQGMHIWDEK-TZMCWYRMSA-N 1 0 261.369 2.132 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCCN1c1cc(F)c(F)cc1F ZINC000071042662 176028718 /nfs/dbraw/zinc/02/87/18/176028718.db2.gz UMHSGXAAQAUFGJ-GFCCVEGCSA-N 1 0 284.281 2.351 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCCN1c1cc(F)c(F)c(F)c1 ZINC000071042893 176028962 /nfs/dbraw/zinc/02/89/62/176028962.db2.gz GJOVOHTYHXHVEB-LBPRGKRZSA-N 1 0 284.281 2.351 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCCN1c1cc(F)cc(F)c1F ZINC000071042866 176029076 /nfs/dbraw/zinc/02/90/76/176029076.db2.gz JXORHARVXKZBPQ-NSHDSACASA-N 1 0 284.281 2.351 10 0 CEAERO CC[NH2+][C@H]1CCCN([C@@H]2CCOc3ccccc32)C1=O ZINC000071043254 176029120 /nfs/dbraw/zinc/02/91/20/176029120.db2.gz YYAGEGKVKHCXAA-UONOGXRCSA-N 1 0 274.364 2.111 10 0 CEAERO CC[NH2+][C@H]1CCCN([C@H]2CCOc3ccccc32)C1=O ZINC000071043259 176029258 /nfs/dbraw/zinc/02/92/58/176029258.db2.gz YYAGEGKVKHCXAA-KBPBESRZSA-N 1 0 274.364 2.111 10 0 CEAERO CC[C@H]([NH3+])Cc1nccn1C[C@@H]1OCCc2ccccc21 ZINC000071099254 176033245 /nfs/dbraw/zinc/03/32/45/176033245.db2.gz NZCCPYRFEIPDRD-HOCLYGCPSA-N 1 0 285.391 2.477 10 0 CEAERO CC[C@@H]1CCC[C@@](C[NH3+])(N2CCOC(C)(C)C2)C1 ZINC000071123447 176034880 /nfs/dbraw/zinc/03/48/80/176034880.db2.gz KMTLUNOVMSXAMQ-UKRRQHHQSA-N 1 0 254.418 2.395 10 0 CEAERO CCOC(=O)[C@@]1(N2CCC[NH2+]CC2)CCC[C@@H](CC)C1 ZINC000071125780 176035726 /nfs/dbraw/zinc/03/57/26/176035726.db2.gz LCLMWGYXFMJEEU-GDBMZVCRSA-N 1 0 282.428 2.184 10 0 CEAERO CC[NH2+][C@@H](c1ccc2c(c1)C(=O)N(C)C(=O)C2)C(C)C ZINC000071139499 176037863 /nfs/dbraw/zinc/03/78/63/176037863.db2.gz YJVIQXBENXTUFQ-OAHLLOKOSA-N 1 0 274.364 2.148 10 0 CEAERO C[NH2+]C[C@H]1CCN([C@@H](C)c2cc(OC)ccc2OC)C1 ZINC000071141847 176040138 /nfs/dbraw/zinc/04/01/38/176040138.db2.gz ZHZLTPIINQHVLQ-QWHCGFSZSA-N 1 0 278.396 2.306 10 0 CEAERO CCn1c(C[NH3+])nnc1S[C@@H]1CCC[C@@H](C)C1 ZINC000071150270 176045323 /nfs/dbraw/zinc/04/53/23/176045323.db2.gz GHZNBTZPMVMHRT-NXEZZACHSA-N 1 0 254.403 2.428 10 0 CEAERO CCOC(=O)[C@@]1(N2CCC[NH2+]CC2)CCCC[C@H]1CC ZINC000071162682 176046824 /nfs/dbraw/zinc/04/68/24/176046824.db2.gz UKSLZGMGHSDCCG-GDBMZVCRSA-N 1 0 282.428 2.184 10 0 CEAERO CCn1cc([C@@](C)([NH3+])Cc2ccc(OC)cc2)cn1 ZINC000071169434 176050681 /nfs/dbraw/zinc/05/06/81/176050681.db2.gz JNXQJQUKRDRKIX-HNNXBMFYSA-N 1 0 259.353 2.328 10 0 CEAERO CC[NH2+]CCS(=O)(=O)Nc1ccccc1C(C)(C)C ZINC000071174659 176054203 /nfs/dbraw/zinc/05/42/03/176054203.db2.gz DGBJHQVCSDQMCW-UHFFFAOYSA-N 1 0 284.425 2.335 10 0 CEAERO CC(C)Oc1cncc(Nc2ccccc2C[NH3+])n1 ZINC000071177419 176055156 /nfs/dbraw/zinc/05/51/56/176055156.db2.gz CPYFJBWVIUOFFZ-UHFFFAOYSA-N 1 0 258.325 2.466 10 0 CEAERO CCOc1cncc(Nc2ccc(CC[NH3+])cc2)n1 ZINC000071177424 176055413 /nfs/dbraw/zinc/05/54/13/176055413.db2.gz BOKRIHQQXIHZTF-UHFFFAOYSA-N 1 0 258.325 2.120 10 0 CEAERO CC[C@H]([NH3+])Cc1ccc(O[C@@H]2CCN(C)C2=O)c(Cl)c1 ZINC000071184855 176059952 /nfs/dbraw/zinc/05/99/52/176059952.db2.gz FGPOGPFSMYBGLS-SMDDNHRTSA-N 1 0 296.798 2.229 10 0 CEAERO Cc1c(Cl)nnc(NCC[NH+]2CCCC2)c1C ZINC000071187101 176060841 /nfs/dbraw/zinc/06/08/41/176060841.db2.gz RXCNFXUGYRQMLY-UHFFFAOYSA-N 1 0 254.765 2.255 10 0 CEAERO CN(C[C@@H]1CC[N@H+](C)C1)c1ccc2cc(N)ccc2n1 ZINC000071188501 176062966 /nfs/dbraw/zinc/06/29/66/176062966.db2.gz JGMUBMXKAKFHGI-GFCCVEGCSA-N 1 0 270.380 2.205 10 0 CEAERO CN(C[C@H]1CC[N@H+](C)C1)c1ccc(C(N)=S)c(Cl)c1 ZINC000071190385 176066344 /nfs/dbraw/zinc/06/63/44/176066344.db2.gz BBZLHVHMXSTBKN-JTQLQIEISA-N 1 0 297.855 2.362 10 0 CEAERO CN(C[C@@H]1CC[N@H+](C)C1)c1n[nH]c(=S)n1C1CCCC1 ZINC000071190258 176067250 /nfs/dbraw/zinc/06/72/50/176067250.db2.gz AWHRLKFBISGFOB-LLVKDONJSA-N 1 0 295.456 2.444 10 0 CEAERO c1ccc2c(c1)C[C@@H](CN1CCC[C@H]([NH2+]C3CC3)C1)O2 ZINC000071199365 176077126 /nfs/dbraw/zinc/07/71/26/176077126.db2.gz SZFXQHXJJPZDKU-HOTGVXAUSA-N 1 0 272.392 2.207 10 0 CEAERO Fc1cc(N2CC[C@@H]([NH2+]C3CC3)C2)cc(F)c1F ZINC000071199606 176077138 /nfs/dbraw/zinc/07/71/38/176077138.db2.gz OWHZIQNLTBTYSH-SECBINFHSA-N 1 0 256.271 2.435 10 0 CEAERO CCC[C@@]1(C(=O)NCc2scnc2C)CCC[NH2+]C1 ZINC000071213513 176085341 /nfs/dbraw/zinc/08/53/41/176085341.db2.gz XLVGSPWNWJBYJM-CQSZACIVSA-N 1 0 281.425 2.238 10 0 CEAERO COCCN(CCC[NH3+])C(=O)c1ccc2ccccc2c1 ZINC000071222785 176088070 /nfs/dbraw/zinc/08/80/70/176088070.db2.gz DIHGBPGOPZEYMX-UHFFFAOYSA-N 1 0 286.375 2.277 10 0 CEAERO COCCN(CCC(N)=[NH2+])Cc1ccc(F)cc1Cl ZINC000071229151 176091141 /nfs/dbraw/zinc/09/11/41/176091141.db2.gz GZGVQZPCWNLCHJ-UHFFFAOYSA-N 1 0 287.766 2.254 10 0 CEAERO Cn1cc(SCc2ccc(F)cc2C[NH3+])cn1 ZINC000071264542 176097782 /nfs/dbraw/zinc/09/77/82/176097782.db2.gz DXFWLJVVCRKHEE-UHFFFAOYSA-N 1 0 251.330 2.310 10 0 CEAERO NC(=S)c1cc(F)ccc1C[N@@H+]1CCC[C@H]1CCCO ZINC000071266239 176099752 /nfs/dbraw/zinc/09/97/52/176099752.db2.gz ROJRQUXTZHDNDH-ZDUSSCGKSA-N 1 0 296.411 2.197 10 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CCOC(=O)CCCCCN(C)c1cc[nH+]cc1N ZINC000071297714 176112805 /nfs/dbraw/zinc/11/28/05/176112805.db2.gz WBEGXPMQMLAFPJ-UHFFFAOYSA-N 1 0 265.357 2.224 10 0 CEAERO CCCc1ccc(NC(=O)CN(CC)[C@@H]2CC[NH2+]C2)cc1 ZINC000071313058 176119573 /nfs/dbraw/zinc/11/95/73/176119573.db2.gz QWRKXVSOKMFNRP-MRXNPFEDSA-N 1 0 289.423 2.261 10 0 CEAERO CCN(Cc1cc(OC)c(OC)cc1C)[C@H]1CC[NH2+]C1 ZINC000071313667 176120234 /nfs/dbraw/zinc/12/02/34/176120234.db2.gz FRXCNRREJQUUHG-AWEZNQCLSA-N 1 0 278.396 2.196 10 0 CEAERO CCN(c1cccc(C(F)(F)F)n1)[C@@H]1CC[NH2+]C1 ZINC000071314174 176120415 /nfs/dbraw/zinc/12/04/15/176120415.db2.gz APMCNQJJNZUXRE-SECBINFHSA-N 1 0 259.275 2.289 10 0 CEAERO CC(C)(C)[NH2+]Cc1nnnn1Cc1ccc(Cl)s1 ZINC000071321439 176122454 /nfs/dbraw/zinc/12/24/54/176122454.db2.gz NENYXXUNWKDPAB-UHFFFAOYSA-N 1 0 285.804 2.324 10 0 CEAERO CCCN(Cc1noc(-c2ccsc2)n1)[C@@H]1CC[NH2+]C1 ZINC000071331174 176124699 /nfs/dbraw/zinc/12/46/99/176124699.db2.gz DRSDGZAMVUAJGC-GFCCVEGCSA-N 1 0 292.408 2.372 10 0 CEAERO CCCN(Cc1nnc(-c2cccs2)o1)[C@@H]1CC[NH2+]C1 ZINC000071331669 176125155 /nfs/dbraw/zinc/12/51/55/176125155.db2.gz FHRVQUUZXJPSHQ-LLVKDONJSA-N 1 0 292.408 2.372 10 0 CEAERO Cc1ccc(C(=O)NC[C@@H]2[NH2+]CCC[C@H]2C)c(C)c1 ZINC000071338529 176128582 /nfs/dbraw/zinc/12/85/82/176128582.db2.gz DKEADNGJAGGWAD-DOMZBBRYSA-N 1 0 260.381 2.421 10 0 CEAERO C[C@H]1CCC[NH2+][C@H]1CN1C(=O)CC2(CCCCC2)C1=O ZINC000071339251 176129522 /nfs/dbraw/zinc/12/95/22/176129522.db2.gz CZIBEBWAKIEDQC-STQMWFEESA-N 1 0 278.396 2.084 10 0 CEAERO CC[C@H](C)[C@@H]1CNC(C)(C)C[N@@H+]1CCn1ccnc1C ZINC000071342595 176130270 /nfs/dbraw/zinc/13/02/70/176130270.db2.gz PQRCPGVGSHMIBB-ZFWWWQNUSA-N 1 0 278.444 2.290 10 0 CEAERO CC1(C)CN(CCOCC(F)(F)F)[C@](C)(C2CC2)C[NH2+]1 ZINC000071343344 176130922 /nfs/dbraw/zinc/13/09/22/176130922.db2.gz CTDVUKAOPDRHEB-ZDUSSCGKSA-N 1 0 294.361 2.418 10 0 CEAERO CCCC1(C(=O)NCc2ncccc2C)CC[NH2+]CC1 ZINC000071344848 176131605 /nfs/dbraw/zinc/13/16/05/176131605.db2.gz GZEOHOLTPMCCHY-UHFFFAOYSA-N 1 0 275.396 2.176 10 0 CEAERO CC[C@@H](C)[C@H]1CN(Cc2ncccn2)[C@H](C(C)C)C[NH2+]1 ZINC000071354814 176136631 /nfs/dbraw/zinc/13/66/31/176136631.db2.gz XFTRDVKMPXRADZ-KFWWJZLASA-N 1 0 276.428 2.321 10 0 CEAERO CCC[C@H]1C[NH2+][C@](C)(CC)CN1CCn1ccnc1C ZINC000071356833 176136790 /nfs/dbraw/zinc/13/67/90/176136790.db2.gz XFWLTABULOIXDE-JKSUJKDBSA-N 1 0 278.444 2.434 10 0 CEAERO CC[C@@H](C)[C@H]1CN(CCOC)[C@H](C(C)(C)C)C[NH2+]1 ZINC000071355494 176136950 /nfs/dbraw/zinc/13/69/50/176136950.db2.gz UABYZXXKBGPRJG-MCIONIFRSA-N 1 0 256.434 2.367 10 0 CEAERO Cn1cc(CN2CC3(CCCCC3)[NH2+]C[C@H]2C2CC2)cn1 ZINC000071359756 176137575 /nfs/dbraw/zinc/13/75/75/176137575.db2.gz GOHAIRQSMYIRPV-INIZCTEOSA-N 1 0 288.439 2.307 10 0 CEAERO CCOCC[N@@H+]1CC2(CCCC2)NC[C@@H]1C(C)C ZINC000071358466 176137841 /nfs/dbraw/zinc/13/78/41/176137841.db2.gz WOZVZPUNLOHMDS-CQSZACIVSA-N 1 0 254.418 2.266 10 0 CEAERO Cn1c(C[NH3+])nnc1SCc1ccc(F)cc1Cl ZINC000071373637 176139081 /nfs/dbraw/zinc/13/90/81/176139081.db2.gz DFNFQIUTNDISHZ-UHFFFAOYSA-N 1 0 286.763 2.359 10 0 CEAERO Cc1nc(CSc2nnc(C[NH3+])n2C(C)C)oc1C ZINC000071374190 176139761 /nfs/dbraw/zinc/13/97/61/176139761.db2.gz FESYPQOVENIDAW-UHFFFAOYSA-N 1 0 281.385 2.215 10 0 CEAERO CCn1c(C[NH3+])nnc1SCc1cccc(F)c1F ZINC000071375014 176140772 /nfs/dbraw/zinc/14/07/72/176140772.db2.gz CKMMNSGWPSGBIY-UHFFFAOYSA-N 1 0 284.335 2.327 10 0 CEAERO C[N@H+](CCN[C@@H]1COc2cc(O)ccc21)C1CCCC1 ZINC000071376732 176141124 /nfs/dbraw/zinc/14/11/24/176141124.db2.gz FGRBMKBCYUWTTP-OAHLLOKOSA-N 1 0 276.380 2.290 10 0 CEAERO C[N@H+](CCn1ccc(N)n1)Cc1cccc(Cl)c1 ZINC000071377992 176142642 /nfs/dbraw/zinc/14/26/42/176142642.db2.gz HIWGMECZZBFXAX-UHFFFAOYSA-N 1 0 264.760 2.251 10 0 CEAERO C[N@H+](CCNC(=O)c1cccc(F)c1N)C1CCCC1 ZINC000071380041 176144046 /nfs/dbraw/zinc/14/40/46/176144046.db2.gz FCZNHWCEGKSTBN-UHFFFAOYSA-N 1 0 279.359 2.012 10 0 CEAERO CC[C@H](C)[NH+]1CCN(Cc2cc(C)ccc2N)CC1 ZINC000071384050 176147130 /nfs/dbraw/zinc/14/71/30/176147130.db2.gz RNVMMPIKMQCCKQ-AWEZNQCLSA-N 1 0 261.413 2.493 10 0 CEAERO [NH3+]Cc1cc2ccccc2nc1OC1CCOCC1 ZINC000071385927 176147392 /nfs/dbraw/zinc/14/73/92/176147392.db2.gz XXATVRJFKRJXCI-UHFFFAOYSA-N 1 0 258.321 2.251 10 0 CEAERO CC1(C)COCCN1C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000071401135 176153408 /nfs/dbraw/zinc/15/34/08/176153408.db2.gz KESRQQWVYZOJEC-AWEZNQCLSA-N 1 0 276.380 2.104 10 0 CEAERO CCCCNC(=O)[C@H](C)Oc1ccc(C)cc1C[NH2+]C ZINC000071403677 176155341 /nfs/dbraw/zinc/15/53/41/176155341.db2.gz KBQMIUCPNDNXEI-ZDUSSCGKSA-N 1 0 278.396 2.398 10 0 CEAERO CC[NH2+]Cc1cc(C)ccc1O[C@@H](C)C(=O)NC(C)C ZINC000071406060 176155633 /nfs/dbraw/zinc/15/56/33/176155633.db2.gz VWHAVWJPXFMHRV-ZDUSSCGKSA-N 1 0 278.396 2.396 10 0 CEAERO CCC[NH2+]Cc1cc(C)ccc1O[C@H]1CCS(=O)(=O)C1 ZINC000071406171 176155695 /nfs/dbraw/zinc/15/56/95/176155695.db2.gz MLMPBRAFGFHIHB-AWEZNQCLSA-N 1 0 297.420 2.061 10 0 CEAERO CCNC(=O)CCOc1ccc(C)cc1C[NH2+]C(C)C ZINC000071406547 176155880 /nfs/dbraw/zinc/15/58/80/176155880.db2.gz GAZBJCIDUIPHLQ-UHFFFAOYSA-N 1 0 278.396 2.398 10 0 CEAERO CC[NH2+]Cc1cc(C)ccc1OCc1nnc(C)n1C ZINC000071406086 176155941 /nfs/dbraw/zinc/15/59/41/176155941.db2.gz MBLOQNPUSBZPMT-UHFFFAOYSA-N 1 0 274.368 2.120 10 0 CEAERO Cc1ccc(OCCC(=O)N(C)C)c(C[NH2+]C2CC2)c1 ZINC000071406776 176156320 /nfs/dbraw/zinc/15/63/20/176156320.db2.gz BXNFRQPJHBJORY-UHFFFAOYSA-N 1 0 276.380 2.104 10 0 CEAERO CCN(CC)C(=O)[C@@H](C)Oc1ccc(C)cc1CC[NH3+] ZINC000071411357 176156961 /nfs/dbraw/zinc/15/69/61/176156961.db2.gz UQTKONUKDWINNS-CYBMUJFWSA-N 1 0 278.396 2.132 10 0 CEAERO CC[C@H]([NH3+])Cc1cc(C)ccc1O[C@@H](C)C(=O)NC1CC1 ZINC000071412126 176157497 /nfs/dbraw/zinc/15/74/97/176157497.db2.gz YMLPKZXEOYRIFK-JSGCOSHPSA-N 1 0 290.407 2.321 10 0 CEAERO CCN(CC)C(=O)COc1ccc(C)cc1C[C@H](C)[NH3+] ZINC000071412042 176157518 /nfs/dbraw/zinc/15/75/18/176157518.db2.gz FKINGZNZESHXGJ-ZDUSSCGKSA-N 1 0 278.396 2.132 10 0 CEAERO CC[C@@H](C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000071412628 176157713 /nfs/dbraw/zinc/15/77/13/176157713.db2.gz NEJQEYWWCVQCCE-NWANDNLSSA-N 1 0 260.381 2.294 10 0 CEAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000071413003 176158125 /nfs/dbraw/zinc/15/81/25/176158125.db2.gz WAUSXIHYHRUYFV-INRQWTSDSA-N 1 0 291.439 2.252 10 0 CEAERO COc1ccc([C@](C)(O)[C@H]2CCC[NH2+]C2)cc1F ZINC000071574647 176201676 /nfs/dbraw/zinc/20/16/76/176201676.db2.gz BCSGWDWZDIKELU-FZMZJTMJSA-N 1 0 253.317 2.041 10 0 CEAERO CC[NH2+][C@H](C)[C@H](O)c1ccc(OC)c(C)c1OC ZINC000071574806 176202099 /nfs/dbraw/zinc/20/20/99/176202099.db2.gz ZNYMCLBBDNSUEJ-MFKMUULPSA-N 1 0 253.342 2.044 10 0 CEAERO Brc1ccc(N2CCC[NH2+]CC2)cc1 ZINC000071576397 176204163 /nfs/dbraw/zinc/20/41/63/176204163.db2.gz DPCNXFPJMWSXJX-UHFFFAOYSA-N 1 0 255.159 2.249 10 0 CEAERO CCOc1ccc(CC[C@@H](O)C2CC[NH2+]CC2)cc1 ZINC000071596026 176219189 /nfs/dbraw/zinc/21/91/89/176219189.db2.gz KDOWKHLLRWDONR-MRXNPFEDSA-N 1 0 263.381 2.378 10 0 CEAERO C[NH2+][C@@H](C(C)C)[C@H](O)c1ccc(OC)c(C)c1OC ZINC000071599204 176223397 /nfs/dbraw/zinc/22/33/97/176223397.db2.gz MRACEWZTYMKXEH-UONOGXRCSA-N 1 0 267.369 2.290 10 0 CEAERO CC(C)(C)OC(=O)Nc1cccc([C@@H]([NH3+])CO)c1 ZINC000072199167 176339842 /nfs/dbraw/zinc/33/98/42/176339842.db2.gz AINUYRZOJOEQHC-NSHDSACASA-N 1 0 252.314 2.026 10 0 CEAERO [NH3+][C@H](CO)c1ccc(Br)c(Br)c1 ZINC000072199731 176341525 /nfs/dbraw/zinc/34/15/25/176341525.db2.gz ZKWRVFQEEWTNFS-MRVPVSSYSA-N 1 0 294.974 2.204 10 0 CEAERO O=C(NC1CCCC1)c1ccnc(C2CC[NH2+]CC2)c1 ZINC000072387004 176392784 /nfs/dbraw/zinc/39/27/84/176392784.db2.gz PUJXSUFUPRNEEJ-UHFFFAOYSA-N 1 0 273.380 2.221 10 0 CEAERO Cc1cc(Br)cnc1N(C)CC(C)(C)[NH3+] ZINC000656609376 415784835 /nfs/dbraw/zinc/78/48/35/415784835.db2.gz OAVBPZPNZMRRFW-UHFFFAOYSA-N 1 0 272.190 2.326 10 0 CEAERO CC[C@H]([NH2+]C)C(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000662346941 415795102 /nfs/dbraw/zinc/79/51/02/415795102.db2.gz GDPPKZDASQAWNH-PELKAZGASA-N 1 0 256.296 2.140 10 0 CEAERO C[C@@H]1C[N@H+](C[C@@H]2CCC[C@H](O)C2)C[C@](C)(C(F)F)O1 ZINC000662358588 415798887 /nfs/dbraw/zinc/79/88/87/415798887.db2.gz QGHUWBFQIYRVKE-NRWUCQMLSA-N 1 0 277.355 2.282 10 0 CEAERO [NH3+][C@H]1CCN(c2ncnc3c(-c4ccccc4)c[nH]c32)C1 ZINC000073737702 176489599 /nfs/dbraw/zinc/48/95/99/176489599.db2.gz OIEFEKHDNOJTIJ-LBPRGKRZSA-N 1 0 279.347 2.162 10 0 CEAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCC2(CC2)C1 ZINC000662404009 415825133 /nfs/dbraw/zinc/82/51/33/415825133.db2.gz AEYXYMQLVGNJLR-HABKJSAYSA-N 1 0 262.397 2.356 10 0 CEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCC(C2CCC2)CC1 ZINC000662633229 415913061 /nfs/dbraw/zinc/91/30/61/415913061.db2.gz YBYZKEUFOHSYSQ-BXUZGUMPSA-N 1 0 252.402 2.399 10 0 CEAERO C[C@@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)c1ccc(Cl)s1 ZINC000662483325 415860061 /nfs/dbraw/zinc/86/00/61/415860061.db2.gz UWFVJWWNUSNJIS-BWZBUEFSSA-N 1 0 258.774 2.316 10 0 CEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H](OC)C1CCCCC1 ZINC000662734280 415948573 /nfs/dbraw/zinc/94/85/73/415948573.db2.gz PZIOPCFRWZIQHX-IACUBPJLSA-N 1 0 270.417 2.071 10 0 CEAERO O=C(CC[C@H]1CCC[NH2+]1)N1CCC[C@@H](CCF)C1 ZINC000662687266 415931399 /nfs/dbraw/zinc/93/13/99/415931399.db2.gz FZCYSAMTUKJQPI-QWHCGFSZSA-N 1 0 256.365 2.117 10 0 CEAERO [NH3+]C1(CC(=O)N2CCCC[C@@H]2c2nccs2)CC1 ZINC000662707753 415938403 /nfs/dbraw/zinc/93/84/03/415938403.db2.gz PHLJUZGXNSVPHC-SNVBAGLBSA-N 1 0 265.382 2.078 10 0 CEAERO CCCCS(=O)(=O)[C@H](C)[C@@H]([NH3+])c1ccc(OC)cc1 ZINC000075429439 176705318 /nfs/dbraw/zinc/70/53/18/176705318.db2.gz CIOWBOWDNLLWDU-BXUZGUMPSA-N 1 0 285.409 2.298 10 0 CEAERO CCCCc1ccc([C@H]2CN(CC[NH3+])CCO2)cc1 ZINC000076357374 177000107 /nfs/dbraw/zinc/00/01/07/177000107.db2.gz IUOSMBXUCXCLEI-MRXNPFEDSA-N 1 0 262.397 2.361 10 0 CEAERO CC(C)([NH3+])C(=O)Nc1cc(Br)cs1 ZINC000076358475 177000611 /nfs/dbraw/zinc/00/06/11/177000611.db2.gz RGYBUIPOEKJORZ-UHFFFAOYSA-N 1 0 263.160 2.186 10 0 CEAERO C[NH2+]CC(=O)N[C@@H](C)c1ccc(C(C)C)cc1OC ZINC000076368901 177005765 /nfs/dbraw/zinc/00/57/65/177005765.db2.gz OJPJNMSVINIUPR-NSHDSACASA-N 1 0 264.369 2.215 10 0 CEAERO COCC(C)(C)[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000076494825 177029207 /nfs/dbraw/zinc/02/92/07/177029207.db2.gz UCOREPMYMDHEIT-LBPRGKRZSA-N 1 0 257.761 2.388 10 0 CEAERO CCOc1ccccc1N(CC(C)C)C(=O)C[NH3+] ZINC000076654904 177044878 /nfs/dbraw/zinc/04/48/78/177044878.db2.gz FYLLQWRRMNKJND-UHFFFAOYSA-N 1 0 250.342 2.033 10 0 CEAERO CCN(CC)C(=O)[C@H](CC[NH3+])c1cccc(F)c1 ZINC000076656597 177046147 /nfs/dbraw/zinc/04/61/47/177046147.db2.gz XPBUYPJJSLPCKA-CYBMUJFWSA-N 1 0 252.333 2.127 10 0 CEAERO C[C@@H]1COC[C@@]2(CCCN(Cc3ccccc3)C2)[NH2+]1 ZINC000076698225 177061670 /nfs/dbraw/zinc/06/16/70/177061670.db2.gz IVHHEJJAJCUDFZ-ZBFHGGJFSA-N 1 0 260.381 2.030 10 0 CEAERO CC1(C)COC[C@@]2(CC[N@H+](Cc3ccccc3)C2)N1 ZINC000076698257 177061870 /nfs/dbraw/zinc/06/18/70/177061870.db2.gz IRSHKBSCPOBWHA-INIZCTEOSA-N 1 0 260.381 2.030 10 0 CEAERO CCCN(Cc1cc(Cl)ccc1OC)C(=O)C[NH3+] ZINC000076710747 177067721 /nfs/dbraw/zinc/06/77/21/177067721.db2.gz REGDZJCLSSKUFE-UHFFFAOYSA-N 1 0 270.760 2.046 10 0 CEAERO C[NH2+]Cc1cn2cc(Br)cc(C)c2n1 ZINC000076792121 177097113 /nfs/dbraw/zinc/09/71/13/177097113.db2.gz BEPFFURLJPSFEE-UHFFFAOYSA-N 1 0 254.131 2.125 10 0 CEAERO C[C@@H]1COC[C@H](C)[N@H+]1CCC(=O)Nc1ccc(F)cc1 ZINC000077366057 177257998 /nfs/dbraw/zinc/25/79/98/177257998.db2.gz WQGSZBKNHWCIRN-TXEJJXNPSA-N 1 0 280.343 2.264 10 0 CEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCCCCSC ZINC000077552908 177280448 /nfs/dbraw/zinc/28/04/48/177280448.db2.gz ZYBIGRNMDPBYGH-LBPRGKRZSA-N 1 0 275.462 2.159 10 0 CEAERO COc1ccc(NC(=O)C2(C[NH3+])CC2)cc1Cl ZINC000077609169 177285282 /nfs/dbraw/zinc/28/52/82/177285282.db2.gz NWKMHLNYUVFLCZ-UHFFFAOYSA-N 1 0 254.717 2.026 10 0 CEAERO CC(=O)N1CCC[N@H+](Cc2ccc3ccccc3n2)CC1 ZINC000078254542 177328812 /nfs/dbraw/zinc/32/88/12/177328812.db2.gz HNRUQTPQWWCTFQ-UHFFFAOYSA-N 1 0 283.375 2.289 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000078516227 177349154 /nfs/dbraw/zinc/34/91/54/177349154.db2.gz VLWMNCZLZZQGJK-DOTOQJQBSA-N 1 0 274.408 2.374 10 0 CEAERO C[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)C(=O)NC1CC1 ZINC000078525175 177349988 /nfs/dbraw/zinc/34/99/88/177349988.db2.gz XMMXHNLABNSZSC-IUCAKERBSA-N 1 0 268.307 2.283 10 0 CEAERO CC(C)C[NH2+]C[C@@H](O)c1cnn(-c2ccccc2)c1 ZINC000078626175 177361382 /nfs/dbraw/zinc/36/13/82/177361382.db2.gz ZXWHHYOWFINUFK-OAHLLOKOSA-N 1 0 259.353 2.151 10 0 CEAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cccc(C)c1O ZINC000078801298 177390414 /nfs/dbraw/zinc/39/04/14/177390414.db2.gz NWEOKSROWVOBII-LBPRGKRZSA-N 1 0 264.369 2.161 10 0 CEAERO CNC(=O)c1ccc(NC(=O)CC[C@@H](C)CC[NH3+])c(C)c1 ZINC000079117326 177435991 /nfs/dbraw/zinc/43/59/91/177435991.db2.gz FXYMLAPAGWZMIY-LLVKDONJSA-N 1 0 291.395 2.058 10 0 CEAERO CCC[C@H](CC[NH3+])CCC(=O)NCC1CCOCC1 ZINC000079242463 177454955 /nfs/dbraw/zinc/45/49/55/177454955.db2.gz SDYXPUUFOOHEFO-ZDUSSCGKSA-N 1 0 270.417 2.075 10 0 CEAERO CC(C)[C@H]1CCC(=O)N(CCC[NH2+]C2CC2)CC1 ZINC000079248685 177456865 /nfs/dbraw/zinc/45/68/65/177456865.db2.gz ZWAZVWDAOFVVLJ-ZDUSSCGKSA-N 1 0 252.402 2.413 10 0 CEAERO COc1ncccc1NC(=O)CC[C@@H](CC[NH3+])C(C)C ZINC000079276340 177460785 /nfs/dbraw/zinc/46/07/85/177460785.db2.gz LMUTWHCEPYIPGR-LBPRGKRZSA-N 1 0 279.384 2.430 10 0 CEAERO CCN(C[C@@H]1CCOC1)C(=O)CC[C@H](CC[NH3+])C(C)C ZINC000079277164 177461123 /nfs/dbraw/zinc/46/11/23/177461123.db2.gz GTOHELXOVNXSJF-LSDHHAIUSA-N 1 0 284.444 2.273 10 0 CEAERO CCN(C[C@@H]1CCOC1)C(=O)CC[C@@H](CC[NH3+])C(C)C ZINC000079277159 177461164 /nfs/dbraw/zinc/46/11/64/177461164.db2.gz GTOHELXOVNXSJF-GJZGRUSLSA-N 1 0 284.444 2.273 10 0 CEAERO C[C@@H]1CN(C(=O)CC[C@@H](CC[NH3+])C(C)(C)C)CCO1 ZINC000079288319 177464118 /nfs/dbraw/zinc/46/41/18/177464118.db2.gz JAFXPOPPULJCLP-OLZOCXBDSA-N 1 0 270.417 2.025 10 0 CEAERO CCC[C@@H]1CCCN(C(=O)COC2CC[NH2+]CC2)CC1 ZINC000079340408 177469519 /nfs/dbraw/zinc/46/95/19/177469519.db2.gz NBAVMCHVCBNTGF-CQSZACIVSA-N 1 0 282.428 2.184 10 0 CEAERO CN(C(=O)[C@@]1(C)CCC[NH2+]1)C1C2CC3CC(C2)CC1C3 ZINC000079517274 177513190 /nfs/dbraw/zinc/51/31/90/177513190.db2.gz KZLQYGUBZQBTBB-VSIZIWLYSA-N 1 0 276.424 2.412 10 0 CEAERO CCOc1cccc(CNC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])c1 ZINC000079527810 177516137 /nfs/dbraw/zinc/51/61/37/177516137.db2.gz NCYULRXTTOCJIT-VRKREXBASA-N 1 0 288.391 2.075 10 0 CEAERO COc1ccccc1N(C)C(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+] ZINC000079534425 177516919 /nfs/dbraw/zinc/51/69/19/177516919.db2.gz RTQCBRLIZGXADB-PKIAMQTDSA-N 1 0 274.364 2.031 10 0 CEAERO C[C@@H]1CCC[NH2+][C@H]1C(=O)NC1CCC(C)(C)CC1 ZINC000079679744 177536742 /nfs/dbraw/zinc/53/67/42/177536742.db2.gz YRJMPNSCMPUDDL-DGCLKSJQSA-N 1 0 252.402 2.460 10 0 CEAERO CCC[C@H](COC)[NH2+]C[C@H](O)COCCCC(C)C ZINC000079763849 177552744 /nfs/dbraw/zinc/55/27/44/177552744.db2.gz ZXZNDEPBGUPNAT-CABCVRRESA-N 1 0 275.433 2.205 10 0 CEAERO CCCN(C(=O)NC(C)C)C1(C[NH3+])CCCCC1 ZINC000079868817 177572849 /nfs/dbraw/zinc/57/28/49/177572849.db2.gz XPJZQBZPETUJSW-UHFFFAOYSA-N 1 0 255.406 2.478 10 0 CEAERO C[NH2+]CCc1c(C)nn(CCOc2ccccc2)c1C ZINC000080062684 177604099 /nfs/dbraw/zinc/60/40/99/177604099.db2.gz JXRAHTFUPXFKAU-UHFFFAOYSA-N 1 0 273.380 2.341 10 0 CEAERO C[NH2+]CCc1c(C)nn(Cc2ccccc2F)c1C ZINC000080062779 177604110 /nfs/dbraw/zinc/60/41/10/177604110.db2.gz UHHNMNLSONTRDK-UHFFFAOYSA-N 1 0 261.344 2.449 10 0 CEAERO CCn1cc(Cn2nc(C)c(CC[NH2+]C(C)C)c2C)cn1 ZINC000080064092 177604288 /nfs/dbraw/zinc/60/42/88/177604288.db2.gz RJNOPKXDPOAZLN-UHFFFAOYSA-N 1 0 289.427 2.305 10 0 CEAERO CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)CCC(=O)[O-] ZINC000080161733 177616775 /nfs/dbraw/zinc/61/67/75/177616775.db2.gz NIVVBDOVRRNJJI-QWHCGFSZSA-N 1 0 258.406 2.340 10 0 CEAERO CC[C@H](C)[NH2+][C@](C)(CO)Cc1ccc(OC)c(OC)c1 ZINC000080184449 177619711 /nfs/dbraw/zinc/61/97/11/177619711.db2.gz NBNZGBPMONZHGR-LRDDRELGSA-N 1 0 281.396 2.385 10 0 CEAERO CC[NH2+][C@@H](C)C1CCN(S(=O)(=O)CC(C)(C)C)CC1 ZINC000080185197 177620307 /nfs/dbraw/zinc/62/03/07/177620307.db2.gz WJGFKWRJEMZWJA-LBPRGKRZSA-N 1 0 290.473 2.072 10 0 CEAERO O=C(c1c[nH]c2cc(F)ccc12)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000192926386 227385920 /nfs/dbraw/zinc/38/59/20/227385920.db2.gz SCORTUDKAIACOB-GFCCVEGCSA-N 1 0 287.338 2.227 10 0 CEAERO C[C@H](C[C@H]1COCCN1)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000133547775 419432205 /nfs/dbraw/zinc/43/22/05/419432205.db2.gz YYSXJAJBJREJRL-MDZLAQPJSA-N 1 0 284.350 2.382 10 0 CEAERO COc1ccc([C@H](C)NC(=O)C[C@H]([NH3+])C(C)C)cc1F ZINC000136350666 419444330 /nfs/dbraw/zinc/44/43/30/419444330.db2.gz AUGZAGUMVDGTRS-GWCFXTLKSA-N 1 0 282.359 2.385 10 0 CEAERO COc1cc(NC(=O)C[C@H]([NH3+])C(C)C)cc(OC)c1 ZINC000136296994 419444457 /nfs/dbraw/zinc/44/44/57/419444457.db2.gz HEEVSXJRBLKAAP-ZDUSSCGKSA-N 1 0 266.341 2.016 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H](C)Cc1cccs1 ZINC000136338421 419444847 /nfs/dbraw/zinc/44/48/47/419444847.db2.gz ZBUCHMSOWJIUMX-ZYHUDNBSSA-N 1 0 254.399 2.169 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000136347166 419445519 /nfs/dbraw/zinc/44/55/19/419445519.db2.gz INVGFKZKLBNAOC-WCQYABFASA-N 1 0 292.379 2.008 10 0 CEAERO COc1ccccc1CN(C)C(=O)C[C@H]([NH3+])C(C)C ZINC000136411541 419446876 /nfs/dbraw/zinc/44/68/76/419446876.db2.gz AKFCSMFVLLPKCA-ZDUSSCGKSA-N 1 0 264.369 2.027 10 0 CEAERO CCN(CCc1ccccc1)C(=O)C[C@@H]([NH3+])C(C)C ZINC000136394952 419447402 /nfs/dbraw/zinc/44/74/02/419447402.db2.gz RGYPZLYQKOFFJP-OAHLLOKOSA-N 1 0 262.397 2.451 10 0 CEAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)CCc1cccs1 ZINC000136486438 419447779 /nfs/dbraw/zinc/44/77/79/419447779.db2.gz IKMGPMGIDQDJCQ-LBPRGKRZSA-N 1 0 254.399 2.122 10 0 CEAERO CCC(CC)N(CCOC)C(=O)C[C@@H]([NH3+])C(C)C ZINC000136392076 419448094 /nfs/dbraw/zinc/44/80/94/419448094.db2.gz NPJLMSTVRCAMBO-CYBMUJFWSA-N 1 0 258.406 2.023 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)/C=C/c2cccc(O)c2)C1 ZINC000186673371 270251386 /nfs/dbraw/zinc/25/13/86/270251386.db2.gz BUOLFRJGJMQEQZ-VFNNOXKTSA-N 1 0 274.364 2.006 10 0 CEAERO C[C@H](CC[NH2+][C@@H](C)[C@H]1CCCO1)NC(=O)OC(C)(C)C ZINC000390809265 262348270 /nfs/dbraw/zinc/34/82/70/262348270.db2.gz QDEHVSNKFYEAJH-FRRDWIJNSA-N 1 0 286.416 2.447 10 0 CEAERO C[C@@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)[C@H]1CCCO1 ZINC000044276752 270229074 /nfs/dbraw/zinc/22/90/74/270229074.db2.gz DLWZADLYDXLQFZ-IUODEOHRSA-N 1 0 291.395 2.437 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCCc3occc32)C1 ZINC000194150399 270293609 /nfs/dbraw/zinc/29/36/09/270293609.db2.gz PENGKYVEEHZFTF-TZMCWYRMSA-N 1 0 291.395 2.441 10 0 CEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000392978455 270341959 /nfs/dbraw/zinc/34/19/59/270341959.db2.gz YVRVEGIBLAKEDL-QCZZGDTMSA-N 1 0 278.783 2.064 10 0 CEAERO CCCCN(CCCC)C(=O)C[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000395159861 270345529 /nfs/dbraw/zinc/34/55/29/270345529.db2.gz MZSVWKUOLCIUHI-CABCVRRESA-N 1 0 284.444 2.260 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)[C@@H]1CC1(C)C ZINC000397786038 270355040 /nfs/dbraw/zinc/35/50/40/270355040.db2.gz PGOWBCFWLVWYQA-MJBXVCDLSA-N 1 0 274.412 2.470 10 0 CEAERO C[C@@H]([NH2+]Cc1cnn[nH]1)C12CC3CC(CC(C3)C1)C2 ZINC000398378861 270357922 /nfs/dbraw/zinc/35/79/22/270357922.db2.gz SZOVKKARVLLFLC-QFGHMXTESA-N 1 0 260.385 2.499 10 0 CEAERO O=C1C[C@@H](C[NH2+]Cc2cc(Cl)sc2Cl)CN1 ZINC000398463379 270358916 /nfs/dbraw/zinc/35/89/16/270358916.db2.gz SRBGBHZNJQVEGD-LURJTMIESA-N 1 0 279.192 2.281 10 0 CEAERO CC(C)[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[C@@H](C)[NH3+] ZINC000399429227 270369898 /nfs/dbraw/zinc/36/98/98/270369898.db2.gz KMIVBCKORRGHGD-KYOSRNDESA-N 1 0 276.380 2.246 10 0 CEAERO CC(C)COc1cccc(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000423954761 270991992 /nfs/dbraw/zinc/99/19/92/270991992.db2.gz OIZILGFKIGENSH-DOMZBBRYSA-N 1 0 276.380 2.141 10 0 CEAERO CCC[C@@H](C(=O)NCCc1ccsc1)[NH+](C)C ZINC000179484696 280105699 /nfs/dbraw/zinc/10/56/99/280105699.db2.gz YLQHXHXREKHYRY-LBPRGKRZSA-N 1 0 254.399 2.137 10 0 CEAERO CCOC(=O)c1cnc2ccc(C)cc2c1N1CC[NH2+]CC1 ZINC000053994918 273692838 /nfs/dbraw/zinc/69/28/38/273692838.db2.gz VXYVJTJEGVHBRS-UHFFFAOYSA-N 1 0 299.374 2.130 10 0 CEAERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)C(=O)Nc1cccnc1Cl ZINC000183141136 274518594 /nfs/dbraw/zinc/51/85/94/274518594.db2.gz TXJQFTZGCYKBBK-JBLDHEPKSA-N 1 0 297.786 2.219 10 0 CEAERO Cc1nc2ccccc2nc1N[C@@H]1CCC[NH2+][C@@H]1C ZINC000229607055 274852567 /nfs/dbraw/zinc/85/25/67/274852567.db2.gz JAOPGAQJEYZZSM-ZYHUDNBSSA-N 1 0 256.353 2.491 10 0 CEAERO c1ccc2sc(N3CC[C@@H]4[NH2+]CC[C@@H]4C3)nc2c1 ZINC000261582212 275072134 /nfs/dbraw/zinc/07/21/34/275072134.db2.gz RASZTIIOOMKTFY-MNOVXSKESA-N 1 0 259.378 2.485 10 0 CEAERO CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000088445887 275673009 /nfs/dbraw/zinc/67/30/09/275673009.db2.gz VMDOOLBETQBMGB-KXUCPTDWSA-N 1 0 266.307 2.207 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000236927137 276043204 /nfs/dbraw/zinc/04/32/04/276043204.db2.gz PFBYIVCJJAIVES-KBPBESRZSA-N 1 0 264.344 2.447 10 0 CEAERO CC1CCC(C[N@@H+]2CCO[C@@H](Cn3cccn3)C2)CC1 ZINC000122335491 276188955 /nfs/dbraw/zinc/18/89/55/276188955.db2.gz VEHKCSJBBYXFKQ-UYSNPLJNSA-N 1 0 277.412 2.410 10 0 CEAERO CCC[C@@H](C(=O)NCCC[C@@H]1CCCCO1)[NH+](C)C ZINC000183431927 276268822 /nfs/dbraw/zinc/26/88/22/276268822.db2.gz KENDZEVVFSGHOU-KBPBESRZSA-N 1 0 270.417 2.182 10 0 CEAERO CCOCCN1CC[N@H+](C[C@H]2CCC(C)(C)O2)C[C@@H]1CC ZINC000248539360 276323238 /nfs/dbraw/zinc/32/32/38/276323238.db2.gz AQJGJZRWWGZGEF-JKSUJKDBSA-N 1 0 298.471 2.377 10 0 CEAERO CCN1CCC[C@H]([NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000336810701 276376082 /nfs/dbraw/zinc/37/60/82/276376082.db2.gz IYZJAMURRGKJBI-SRVKXCTJSA-N 1 0 280.334 2.170 10 0 CEAERO CC[C@]1(C)c2ccccc2N(C2CC[NH2+]CC2)C1=O ZINC000091301919 276680333 /nfs/dbraw/zinc/68/03/33/276680333.db2.gz XALVRMVOEYXCQZ-MRXNPFEDSA-N 1 0 258.365 2.453 10 0 CEAERO C[N@@H+]1CCC[C@@H]1CNC(=O)NC1CCC(C)(C)CC1 ZINC000174353627 277062874 /nfs/dbraw/zinc/06/28/74/277062874.db2.gz PFJDGFZQRGOQFE-CYBMUJFWSA-N 1 0 267.417 2.349 10 0 CEAERO CC(C)(C)OC(=O)N1CCC2=C(C1)[C@H]([NH3+])CCS2 ZINC000091692300 277182666 /nfs/dbraw/zinc/18/26/66/277182666.db2.gz VXAVXWIETVUMIW-SNVBAGLBSA-N 1 0 270.398 2.346 10 0 CEAERO CN1c2ccccc2[C@@H]([NH2+]C[C@]2(C)CCCO2)CC1=O ZINC000094796890 277218108 /nfs/dbraw/zinc/21/81/08/277218108.db2.gz BSAJPVDQTKSVOI-BBRMVZONSA-N 1 0 274.364 2.253 10 0 CEAERO C[NH2+]C[C@H]1CCCN1c1cc(C(F)(F)F)ccn1 ZINC000090804623 277285737 /nfs/dbraw/zinc/28/57/37/277285737.db2.gz ZHHKSLQBYCPMOB-SNVBAGLBSA-N 1 0 259.275 2.289 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCO[C@@H]1C ZINC000189714256 277393702 /nfs/dbraw/zinc/39/37/02/277393702.db2.gz OCWITRKFFZITJU-KFWWJZLASA-N 1 0 282.428 2.038 10 0 CEAERO COc1ccc(C[NH2+]CC2C[C@@H](C)O[C@H](C)C2)cn1 ZINC000341495901 277896506 /nfs/dbraw/zinc/89/65/06/277896506.db2.gz YSUYJSICQSCUEU-VXGBXAGGSA-N 1 0 264.369 2.383 10 0 CEAERO CC(C)c1ccc(S(=O)(=O)N[C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC000189315418 278043549 /nfs/dbraw/zinc/04/35/49/278043549.db2.gz WQUYQWAHYUAYIQ-SWLSCSKDSA-N 1 0 296.436 2.229 10 0 CEAERO 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QRVPKZAZEQYFKZ-AAEUAGOBSA-N 1 0 270.380 2.359 10 0 CEAERO C[C@@]1(C(=O)N[C@H]2CCCc3ccccc32)CC[NH2+]C1 ZINC000062891381 279154819 /nfs/dbraw/zinc/15/48/19/279154819.db2.gz OKLSMPAAAZJITA-GOEBONIOSA-N 1 0 258.365 2.180 10 0 CEAERO CC[N@@H+]1CCCN(C(=O)N[C@H]2CCC23CCCC3)CC1 ZINC000334996025 279286939 /nfs/dbraw/zinc/28/69/39/279286939.db2.gz VKDGIEYUZYRYQG-AWEZNQCLSA-N 1 0 279.428 2.446 10 0 CEAERO C[C@H]([NH3+])[C@H]1CCN(c2ccc(Br)cn2)C1 ZINC000168573188 279421371 /nfs/dbraw/zinc/42/13/71/279421371.db2.gz JHIYUEWXEPILEN-IUCAKERBSA-N 1 0 270.174 2.018 10 0 CEAERO CCOC[C@H](C)[NH2+][C@@H]1CC(=O)N(C)c2ccccc21 ZINC000044691751 279601563 /nfs/dbraw/zinc/60/15/63/279601563.db2.gz ONIOZOAQMJUJSD-WCQYABFASA-N 1 0 262.353 2.109 10 0 CEAERO CCOC(=O)[C@@]1(c2ccccc2)CCC=C[C@@H]1[NH2+]C ZINC000003603346 279604963 /nfs/dbraw/zinc/60/49/63/279604963.db2.gz PDJZPNKVLDWEKI-GOEBONIOSA-N 1 0 259.349 2.426 10 0 in-vitro CEAERO [NH3+]C[C@H]1CCCC[C@H]1Nc1ccc(C(F)(F)F)nn1 ZINC000167120614 279650416 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C[C@]1(C(=O)Nc2cc(Cl)ccn2)CCCC[NH2+]1 ZINC000235707613 280150264 /nfs/dbraw/zinc/15/02/64/280150264.db2.gz WMIDEOFLNGMBHV-GFCCVEGCSA-N 1 0 253.733 2.206 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(C)cc2C)C1 ZINC000193822545 280189812 /nfs/dbraw/zinc/18/98/12/280189812.db2.gz PXTQNSXRCNXJBD-CQSZACIVSA-N 1 0 296.436 2.066 10 0 CEAERO C[C@H](CC[NH2+][C@H]1CCO[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000223159657 280212206 /nfs/dbraw/zinc/21/22/06/280212206.db2.gz SAFILGJJSXKOCO-AGIUHOORSA-N 1 0 286.416 2.447 10 0 CEAERO CC[C@H]1CO[C@@H](C)C[N@@H+]1C[C@@H](O)COCc1ccccc1 ZINC000223478812 280213056 /nfs/dbraw/zinc/21/30/56/280213056.db2.gz FKURSMOSYWSBIP-BHYGNILZSA-N 1 0 293.407 2.063 10 0 CEAERO CC(C)[C@H](C)NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246734375 280220542 /nfs/dbraw/zinc/22/05/42/280220542.db2.gz ARMHSXRINQFSRS-FRRDWIJNSA-N 1 0 255.406 2.059 10 0 CEAERO CCCC[C@H](C(=O)OC)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000245475084 280243306 /nfs/dbraw/zinc/24/33/06/280243306.db2.gz ROCAAVSJJBXVNF-ZIAGYGMSSA-N 1 0 270.417 2.134 10 0 CEAERO CCC[C@H](C(=O)N[C@H]1C[C@](C)(OC)C1(C)C)[NH+](C)C ZINC000245519219 280247254 /nfs/dbraw/zinc/24/72/54/280247254.db2.gz SDMQRKBHZSBHJA-XUJVJEKNSA-N 1 0 270.417 2.037 10 0 CEAERO COc1c(C[N@@H+]2CC[C@H](C)[C@@H](C)C2)c(C)nn1C ZINC000245737172 280258931 /nfs/dbraw/zinc/25/89/31/280258931.db2.gz LCSLJTOOMKDJNB-QWRGUYRKSA-N 1 0 251.374 2.215 10 0 CEAERO CC(C)[C@H](O)CC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000246254679 280283753 /nfs/dbraw/zinc/28/37/53/280283753.db2.gz JWJKCMUDJTUGIN-UONOGXRCSA-N 1 0 284.444 2.020 10 0 CEAERO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](C)C(C)C)C1 ZINC000246435528 280293363 /nfs/dbraw/zinc/29/33/63/280293363.db2.gz TWXJDMVJYGACEF-ZIAGYGMSSA-N 1 0 269.433 2.404 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCCSC ZINC000246540579 280300129 /nfs/dbraw/zinc/30/01/29/280300129.db2.gz YDNSLMFXDISYBW-KBPBESRZSA-N 1 0 299.484 2.398 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@]1(C)CCCS1 ZINC000246657667 280305407 /nfs/dbraw/zinc/30/54/07/280305407.db2.gz PSPTZDXYOQNJIA-UKRRQHHQSA-N 1 0 299.484 2.398 10 0 CEAERO C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000246835406 280311424 /nfs/dbraw/zinc/31/14/24/280311424.db2.gz DCGBWUANOMXCBN-TZMCWYRMSA-N 1 0 296.361 2.432 10 0 CEAERO CSCC[C@H](C)[N@H+](C)C[C@@H](O)COC(C)(C)C ZINC000247033972 280318431 /nfs/dbraw/zinc/31/84/31/280318431.db2.gz YMKXJBDHDBRRJN-NWDGAFQWSA-N 1 0 263.447 2.236 10 0 CEAERO CCOC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000248160522 280343146 /nfs/dbraw/zinc/34/31/46/280343146.db2.gz RZRYFAQMVPBXOG-GBJTYRQASA-N 1 0 257.418 2.434 10 0 CEAERO CCS[C@@H](C)c1noc(CN(C)C[C@](C)(O)CC)n1 ZINC000249428447 280396809 /nfs/dbraw/zinc/39/68/09/280396809.db2.gz YPGFCHUXUYXNDT-GXFFZTMASA-N 1 0 287.429 2.477 10 0 CEAERO CC(C)[C@H]1N(C(=O)C23CCC[NH+]2CCC3)C[C@]12CCCO2 ZINC000334613295 280446405 /nfs/dbraw/zinc/44/64/05/280446405.db2.gz PDZPHXGHIQLNSJ-RHSMWYFYSA-N 1 0 292.423 2.031 10 0 CEAERO C[C@@H]([NH3+])CCNC(=O)/C=C\c1ccccc1Cl ZINC000255382608 280492623 /nfs/dbraw/zinc/49/26/23/280492623.db2.gz SZSKVUKOWACXRZ-JYESYGNLSA-N 1 0 252.745 2.207 10 0 CEAERO COc1ccc(C[NH2+]C2C3CC4CC(C3)CC2C4)nn1 ZINC000293015872 280565360 /nfs/dbraw/zinc/56/53/60/280565360.db2.gz QFIBAHMIDMSRNR-UHFFFAOYSA-N 1 0 273.380 2.400 10 0 CEAERO CC[C@H]1CCCCN1C(=O)CN(C)C[C@H]1CCC[N@@H+]1CC ZINC000245474326 281043015 /nfs/dbraw/zinc/04/30/15/281043015.db2.gz QUNJNCRBVGJPAM-JKSUJKDBSA-N 1 0 295.471 2.194 10 0 CEAERO CCN(CC)c1ccc(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)cc1 ZINC000423642806 281073255 /nfs/dbraw/zinc/07/32/55/281073255.db2.gz INIBNYHOBSQLDD-SWLSCSKDSA-N 1 0 275.396 2.095 10 0 CEAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccnc(Cl)c1 ZINC000083703888 288293395 /nfs/dbraw/zinc/29/33/95/288293395.db2.gz KUBWQSXCCOZWKM-DGCLKSJQSA-N 1 0 293.798 2.434 10 0 CEAERO CC1(C)CN(C(=O)[C@H]2CC23CCCC3)CC[C@H]1[NH3+] ZINC000261957508 281208238 /nfs/dbraw/zinc/20/82/38/281208238.db2.gz KONSVGGGDSWHLR-VXGBXAGGSA-N 1 0 250.386 2.153 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N(CC)C(C)C ZINC000182538437 288308857 /nfs/dbraw/zinc/30/88/57/288308857.db2.gz SGJYEJVFYSVLSD-UONOGXRCSA-N 1 0 267.417 2.395 10 0 CEAERO Cc1cccc(N2CCc3ccccc3[C@@H]2C[NH3+])n1 ZINC000227724347 281229649 /nfs/dbraw/zinc/22/96/49/281229649.db2.gz XXWVGZZUPJZZBT-HNNXBMFYSA-N 1 0 253.349 2.453 10 0 CEAERO CCc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CCOCC2)o1 ZINC000123568880 281411988 /nfs/dbraw/zinc/41/19/88/281411988.db2.gz MZKNGCMLTMYHDP-CHWSQXEVSA-N 1 0 266.385 2.213 10 0 CEAERO CC[C@H]1C[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)CCO1 ZINC000180532107 288348785 /nfs/dbraw/zinc/34/87/85/288348785.db2.gz NAHMWTKQSBWFPY-OAGGEKHMSA-N 1 0 296.455 2.428 10 0 CEAERO Cc1csc2c1ncnc2N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261609934 281746975 /nfs/dbraw/zinc/74/69/75/281746975.db2.gz SDOVFRMFSNBWQU-DCAQKATOSA-N 1 0 274.393 2.173 10 0 CEAERO Cc1nc(N2CC[C@H]([NH3+])[C@H]2C)ccc1Br ZINC000261534732 281938229 /nfs/dbraw/zinc/93/82/29/281938229.db2.gz MYHBFNREZKPLOT-SCZZXKLOSA-N 1 0 270.174 2.078 10 0 CEAERO C[C@H]1CC[C@H](NC(=O)N(C)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000417559636 288870593 /nfs/dbraw/zinc/87/05/93/288870593.db2.gz YFBJPSPKNLOPLF-MGPQQGTHSA-N 1 0 267.417 2.349 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(C)nc2C)C1 ZINC000152333318 289086144 /nfs/dbraw/zinc/08/61/44/289086144.db2.gz UZFCSQZYCZWLNQ-ZDUSSCGKSA-N 1 0 276.384 2.304 10 0 CEAERO CC[C@@H](O)C[NH+]1CCN(CCCSCC(C)C)CC1 ZINC000154471510 289146620 /nfs/dbraw/zinc/14/66/20/289146620.db2.gz HKMRTBXPNLRCDU-OAHLLOKOSA-N 1 0 288.501 2.154 10 0 CEAERO CCC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1SCC ZINC000262442424 289259735 /nfs/dbraw/zinc/25/97/35/289259735.db2.gz BJXQUTLBQDTAAM-QJPTWQEYSA-N 1 0 258.431 2.294 10 0 CEAERO COc1cccc(F)c1[C@H](C)NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000262641787 289260441 /nfs/dbraw/zinc/26/04/41/289260441.db2.gz ZTVYSHHNWVXMIS-AXFHLTTASA-N 1 0 280.343 2.139 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)C2CC2)C1 ZINC000152200963 289315559 /nfs/dbraw/zinc/31/55/59/289315559.db2.gz LHBVEHZNUOUJIS-HZPDHXFCSA-N 1 0 272.392 2.343 10 0 CEAERO CN(CC(F)(F)F)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000171609377 289366289 /nfs/dbraw/zinc/36/62/89/289366289.db2.gz UJZYTIWYIWZCKD-GFCCVEGCSA-N 1 0 288.313 2.180 10 0 CEAERO COC[C@@H](C)[NH2+]C[C@@H](c1ccc(C)s1)N1CCOCC1 ZINC000174303973 292778001 /nfs/dbraw/zinc/77/80/01/292778001.db2.gz CHDZMZDKRWQHEX-OCCSQVGLSA-N 1 0 298.452 2.054 10 0 CEAERO Cc1sc2ncnc(N3CC[C@H]([NH3+])[C@@H](C)C3)c2c1C ZINC000227075845 294090442 /nfs/dbraw/zinc/09/04/42/294090442.db2.gz GMWMGIBHHRUDQS-KWQFWETISA-N 1 0 276.409 2.482 10 0 CEAERO CO[C@H](C)[C@H](C)NC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000189735694 294330025 /nfs/dbraw/zinc/33/00/25/294330025.db2.gz GOMJDOHXLXWJSZ-GZBFAFLISA-N 1 0 293.411 2.012 10 0 CEAERO [NH3+]C1CCN(C(=O)[C@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC000037921468 295213876 /nfs/dbraw/zinc/21/38/76/295213876.db2.gz BQGRVIMKLLQXNW-HOTGVXAUSA-N 1 0 288.391 2.104 10 0 CEAERO COc1cccc(CN2CCCC[C@H]2C[NH3+])c1OC ZINC000044540206 295297383 /nfs/dbraw/zinc/29/73/83/295297383.db2.gz FSPCFADCAXQAGM-ZDUSSCGKSA-N 1 0 264.369 2.017 10 0 CEAERO C[C@@H]([NH2+]C1(CO)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000166194379 297464808 /nfs/dbraw/zinc/46/48/08/297464808.db2.gz FYYLJLPQCFVBTR-OLZOCXBDSA-N 1 0 298.427 2.137 10 0 CEAERO CCN(C(=O)N[C@H](CC(C)C)C[NH+](C)C)C(C)C ZINC000171108900 297474418 /nfs/dbraw/zinc/47/44/18/297474418.db2.gz CVVLLXPZPBKIFV-CYBMUJFWSA-N 1 0 257.422 2.403 10 0 CEAERO O[C@@H](C[NH2+]C1(C2CC2)CC1)COCc1ccccc1 ZINC000541594840 298281097 /nfs/dbraw/zinc/28/10/97/298281097.db2.gz HCDGPZLEWZNEOS-HNNXBMFYSA-N 1 0 261.365 2.096 10 0 CEAERO C[C@](O)(C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)C(F)(F)F ZINC000344289785 300740332 /nfs/dbraw/zinc/74/03/32/300740332.db2.gz AZDRDSPIPOEEJU-XNDJQWLSSA-N 1 0 281.318 2.093 10 0 CEAERO Cc1ccc([C@H](CNC(=O)[C@H]2CC[C@H](C)O2)[NH+](C)C)cc1 ZINC000150977143 301796796 /nfs/dbraw/zinc/79/67/96/301796796.db2.gz XSCMRNUWKDWZEL-CWRNSKLLSA-N 1 0 290.407 2.281 10 0 CEAERO Cc1nc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)c(C)s1 ZINC000179238225 302557841 /nfs/dbraw/zinc/55/78/41/302557841.db2.gz ONWUEMIOMIWSEU-GFCCVEGCSA-N 1 0 283.441 2.466 10 0 CEAERO OC1CC(C[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000236478611 312834633 /nfs/dbraw/zinc/83/46/33/312834633.db2.gz BUHLGWOYAKMELW-UHFFFAOYSA-N 1 0 260.381 2.016 10 0 CEAERO CC(=O)Nc1ccc(N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000570036589 314024257 /nfs/dbraw/zinc/02/42/57/314024257.db2.gz NOEHCPWHNNPJHD-AAEUAGOBSA-N 1 0 261.369 2.445 10 0 CEAERO CCC[C@H](C(=O)NCCCCOC(C)C)[NH+](C)C ZINC000183341998 321715356 /nfs/dbraw/zinc/71/53/56/321715356.db2.gz ATSZHCBQWXCFAD-CYBMUJFWSA-N 1 0 258.406 2.038 10 0 CEAERO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@@H]2CC[C@@H]2C)c1 ZINC000389435896 321890634 /nfs/dbraw/zinc/89/06/34/321890634.db2.gz RSXPIZGLFJABAG-NWANDNLSSA-N 1 0 263.381 2.431 10 0 CEAERO OCC[C@H]([NH2+][C@@H]1CCCC[C@H]1O)C1CCCCC1 ZINC000581022924 322363879 /nfs/dbraw/zinc/36/38/79/322363879.db2.gz OZRPJUCLAPVHAI-RRFJBIMHSA-N 1 0 255.402 2.211 10 0 CEAERO C[C@@H]1C[C@@]2(C[NH3+])C[N@H+](Cc3ccccc3)CC[C@H]2O1 ZINC000536961251 330384250 /nfs/dbraw/zinc/38/42/50/330384250.db2.gz WPMADSWDBYDZNZ-FVQBIDKESA-N 1 0 260.381 2.015 10 0 CEAERO Cc1ccc(Br)cc1[C@@]1([NH3+])C[C@H](O)C1 ZINC000536961413 330384378 /nfs/dbraw/zinc/38/43/78/330384378.db2.gz YBMWHOVFIUSKLZ-JGZJWPJOSA-N 1 0 256.143 2.066 10 0 CEAERO CC(C)[NH2+]CCCS(=O)(=O)Nc1cccc(Cl)c1 ZINC000049641602 519720986 /nfs/dbraw/zinc/72/09/86/519720986.db2.gz HTUZMVPRLIMXJQ-UHFFFAOYSA-N 1 0 290.816 2.470 10 0 CEAERO CC(C)C[NH2+]Cc1ccc(O[C@H](C)C(=O)N(C)C)cc1 ZINC000062728892 519747285 /nfs/dbraw/zinc/74/72/85/519747285.db2.gz PYKVWBDQASYHPG-CYBMUJFWSA-N 1 0 278.396 2.288 10 0 CEAERO CC(C)[C@@H](CN(C)C)[NH2+]Cc1ccc2c(c1)OCO2 ZINC000049197482 519793786 /nfs/dbraw/zinc/79/37/86/519793786.db2.gz DDARWCXFOGXQHM-CYBMUJFWSA-N 1 0 264.369 2.091 10 0 CEAERO CC(C)[C@H](C)N(C)Cc1[nH+]c(NN)ccc1Cl ZINC000061631006 519811828 /nfs/dbraw/zinc/81/18/28/519811828.db2.gz MAIBGUBPXYRHKK-VIFPVBQESA-N 1 0 256.781 2.497 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N[C@@H](C)Cc1ccsc1 ZINC000061299047 519905417 /nfs/dbraw/zinc/90/54/17/519905417.db2.gz DHLGWBOOVPUVHS-JTQLQIEISA-N 1 0 254.399 2.183 10 0 CEAERO CC[NH2+]CCCCCn1cc(Br)cn1 ZINC000052577544 519919096 /nfs/dbraw/zinc/91/90/96/519919096.db2.gz NACTYVQCBWDRIY-UHFFFAOYSA-N 1 0 260.179 2.425 10 0 CEAERO CC[NH2+]CCc1nnc(-c2cc(C)ccc2OC)o1 ZINC000052944077 519929827 /nfs/dbraw/zinc/92/98/27/519929827.db2.gz UQIAWPWVFDHGOU-UHFFFAOYSA-N 1 0 261.325 2.206 10 0 CEAERO CCOCCN1C[C@@H](C(C)C)[NH2+]C[C@@H]1CC(C)C ZINC000068703242 519926123 /nfs/dbraw/zinc/92/61/23/519926123.db2.gz SNFJUMNVACBSLB-GJZGRUSLSA-N 1 0 256.434 2.367 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N(C)CCOc1ccccc1Cl ZINC000061235627 519931527 /nfs/dbraw/zinc/93/15/27/519931527.db2.gz JXYFNRHIZZPVHK-GFCCVEGCSA-N 1 0 298.814 2.423 10 0 CEAERO CCC[NH2+]Cc1cc(C)ccc1OCCCC(=O)NC ZINC000068817048 519946172 /nfs/dbraw/zinc/94/61/72/519946172.db2.gz OREHEAMNPPDYNC-UHFFFAOYSA-N 1 0 278.396 2.400 10 0 CEAERO CC[NH2+]C[C@@H]1CC[C@H](CN(C)c2ccccc2F)O1 ZINC000052543120 519953748 /nfs/dbraw/zinc/95/37/48/519953748.db2.gz BYQJSPTYEMQQQI-QWHCGFSZSA-N 1 0 266.360 2.419 10 0 CEAERO CCC[NH2+][C@@H](C)c1cc(C)ccc1OC[C@H](O)COC ZINC000069053640 519986010 /nfs/dbraw/zinc/98/60/10/519986010.db2.gz XXKJLTGWDPJLGT-UONOGXRCSA-N 1 0 281.396 2.442 10 0 CEAERO CCC[NH2+][C@@H](CCCS(C)(=O)=O)Cc1ccccc1 ZINC000063016886 519992530 /nfs/dbraw/zinc/99/25/30/519992530.db2.gz VTSOYFSMIOFWRT-HNNXBMFYSA-N 1 0 283.437 2.422 10 0 CEAERO CCC[NH2+][C@@H](CC[N@H+]1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000062443515 520002937 /nfs/dbraw/zinc/00/29/37/520002937.db2.gz WPQQQQKNYFKJOB-XQQFMLRXSA-N 1 0 256.390 2.092 10 0 CEAERO CC[NH2+]Cc1sc(N(C)[C@@H](C)COC)nc1C ZINC000054998801 520032398 /nfs/dbraw/zinc/03/23/98/520032398.db2.gz JHYWKCBSUOSJQD-VIFPVBQESA-N 1 0 257.403 2.032 10 0 CEAERO CCCN[C@@](C)(C[C@@H](C)[N@H+](C)CC1CCCC1)C(N)=O ZINC000068646976 520038636 /nfs/dbraw/zinc/03/86/36/520038636.db2.gz NQUBRKKVRNCPHE-CJNGLKHVSA-N 1 0 283.460 2.131 10 0 CEAERO CCCN[C@@](C)(C[C@@H](C)[NH+]1CCC(C)CC1)C(=O)OC ZINC000068618521 520040771 /nfs/dbraw/zinc/04/07/71/520040771.db2.gz NDSISZFWUKVBJY-ZBFHGGJFSA-N 1 0 284.444 2.428 10 0 CEAERO CCN[C@@H](CC[NH+]1CCC(C(C)(C)C)CC1)C(=O)OC ZINC000062530649 520088901 /nfs/dbraw/zinc/08/89/01/520088901.db2.gz WHELZQLWSUJXPN-AWEZNQCLSA-N 1 0 284.444 2.286 10 0 CEAERO CC[NH2+][C@@H](CN1CCN(C)C1=O)c1ccc(C)cc1 ZINC000052885614 520098947 /nfs/dbraw/zinc/09/89/47/520098947.db2.gz HMQBAFYSSWJRHU-AWEZNQCLSA-N 1 0 261.369 2.013 10 0 CEAERO CCCN[C@](C[N@H+](C)CC1CCC1)(C(=O)OC)C1CC1 ZINC000069231886 520117157 /nfs/dbraw/zinc/11/71/57/520117157.db2.gz NDKYSLDYRIQPDT-INIZCTEOSA-N 1 0 282.428 2.040 10 0 CEAERO CC[NH2+][C@@](C)(CCCC[N@H+](CC)CC1CC1)C(=O)[O-] ZINC000069239529 520130007 /nfs/dbraw/zinc/13/00/07/520130007.db2.gz UWMYPVHVXLOVCC-HNNXBMFYSA-N 1 0 270.417 2.341 10 0 CEAERO CC[NH2+][C@@](C)(CCSCc1cccc(C)c1)C(N)=O ZINC000054966534 520134660 /nfs/dbraw/zinc/13/46/60/520134660.db2.gz SZEPUFCJPSSWMO-HNNXBMFYSA-N 1 0 280.437 2.472 10 0 CEAERO CCCC[N@H+](CCO)[C@H](CC(N)=S)c1ccccc1 ZINC000055025114 520524638 /nfs/dbraw/zinc/52/46/38/520524638.db2.gz QHHILHMDNJMWJB-CQSZACIVSA-N 1 0 280.437 2.498 10 0 CEAERO CCOC(=O)[C@H](CC[N@H+](C)C1CCCCCC1)NC ZINC000062451174 521241115 /nfs/dbraw/zinc/24/11/15/521241115.db2.gz YSXCXBFZDFZTKU-AWEZNQCLSA-N 1 0 270.417 2.182 10 0 CEAERO CCC(C)(C)[N@H+](C)CC[C@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000069443391 521305559 /nfs/dbraw/zinc/30/55/59/521305559.db2.gz LNFGLIIABUDKHQ-AWEZNQCLSA-N 1 0 256.390 2.092 10 0 CEAERO CCCc1nc(N(C)[C@@H](C)COC)sc1C[NH2+]C ZINC000054998841 521529688 /nfs/dbraw/zinc/52/96/88/521529688.db2.gz VEQAWGNTGBQFHZ-JTQLQIEISA-N 1 0 271.430 2.286 10 0 CEAERO C[NH2+]C(C)(C)C(=O)Nc1cc(C(=O)OC)ccc1Cl ZINC000061300921 521938859 /nfs/dbraw/zinc/93/88/59/521938859.db2.gz HXZLHUFWNAWKCT-UHFFFAOYSA-N 1 0 284.743 2.063 10 0 CEAERO C[NH2+]CC[C@@H](C)N1CCN(c2cccc(Cl)c2)CC1 ZINC000052419006 522016272 /nfs/dbraw/zinc/01/62/72/522016272.db2.gz XJGMMGLBBWSHIQ-CYBMUJFWSA-N 1 0 281.831 2.460 10 0 CEAERO C[NH2+]C[C@H](C)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000052443426 522072478 /nfs/dbraw/zinc/07/24/78/522072478.db2.gz MDXWNMOFTUIOOH-LBPRGKRZSA-N 1 0 267.804 2.070 10 0 CEAERO C[NH2+]C[C@H](OC1CCOCC1)c1ccccc1F ZINC000050486045 522076669 /nfs/dbraw/zinc/07/66/69/522076669.db2.gz QWLSKPPUTNZKGY-AWEZNQCLSA-N 1 0 253.317 2.282 10 0 CEAERO C[NH2+]C[C@H](Oc1ccc(CCOC)cc1)C(C)C ZINC000052699168 522078132 /nfs/dbraw/zinc/07/81/32/522078132.db2.gz WKXLISQRFPYYJA-HNNXBMFYSA-N 1 0 251.370 2.498 10 0 CEAERO C[NH2+]Cc1cccc(OCCOCCOC(C)C)c1 ZINC000052627355 522134519 /nfs/dbraw/zinc/13/45/19/522134519.db2.gz QFKFWWMYJVJBSA-UHFFFAOYSA-N 1 0 267.369 2.226 10 0 CEAERO C[NH2+]Cc1oc(CN(C)CC(F)(F)F)cc1C ZINC000052483448 522161020 /nfs/dbraw/zinc/16/10/20/522161020.db2.gz STXVIXPMDKNQHF-UHFFFAOYSA-N 1 0 250.264 2.302 10 0 CEAERO C[NH2+][C@@](C)(CCCCOc1ccc(C)c(C)c1)C(N)=O ZINC000045515817 522408073 /nfs/dbraw/zinc/40/80/73/522408073.db2.gz VJAAPWHKFQJQHS-INIZCTEOSA-N 1 0 278.396 2.316 10 0 CEAERO C[NH2+][C@](C)(CO)c1ccc(F)c(Br)c1 ZINC000061689761 522517971 /nfs/dbraw/zinc/51/79/71/522517971.db2.gz IGBCVVTUGDIQMU-SNVBAGLBSA-N 1 0 262.122 2.015 10 0 CEAERO CCC[NH2+][C@H](CCc1ccsc1)[C@@H]1CN2CCN1CC2 ZINC000094510857 517590060 /nfs/dbraw/zinc/59/00/60/517590060.db2.gz QVXCGWSXNGPQSN-CVEARBPZSA-N 1 0 293.480 2.049 10 0 CEAERO CCN(c1ccc(C)cc1)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000049991236 517652977 /nfs/dbraw/zinc/65/29/77/517652977.db2.gz PMJCAYPEZUFIAH-UHFFFAOYSA-N 1 0 296.436 2.151 10 0 CEAERO C[NH2+][C@@H](c1cnn(C)c1)c1cncc2ccccc21 ZINC000087423280 517976153 /nfs/dbraw/zinc/97/61/53/517976153.db2.gz FFVAUYANSJRRLM-HNNXBMFYSA-N 1 0 252.321 2.277 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N1CCn2ccnc2C1 ZINC000062245644 518182662 /nfs/dbraw/zinc/18/26/62/518182662.db2.gz JCZYTQZYTKXGSQ-NHYWBVRUSA-N 1 0 290.798 2.441 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@H]1NC(=O)NC1CCCCC1 ZINC000063212691 518197633 /nfs/dbraw/zinc/19/76/33/518197633.db2.gz ANJQKGJBVORUNV-CHWSQXEVSA-N 1 0 253.390 2.278 10 0 CEAERO CC(C)(C)[NH2+]CCN1C(=O)NC2(CCCCCCC2)C1=O ZINC000048784670 518756406 /nfs/dbraw/zinc/75/64/06/518756406.db2.gz NUCRIOVEIPTWMG-UHFFFAOYSA-N 1 0 295.427 2.409 10 0 CEAERO CC(C)(C)[NH2+]CCCc1nnc(-c2ccncc2)o1 ZINC000050617900 518757604 /nfs/dbraw/zinc/75/76/04/518757604.db2.gz ZJRCXLOTTGJXTH-UHFFFAOYSA-N 1 0 260.341 2.452 10 0 CEAERO CC(C)(C)[NH2+]Cc1cc(CN2CCSCC2)on1 ZINC000052425577 518763765 /nfs/dbraw/zinc/76/37/65/518763765.db2.gz AOMJBBUOPTUWCC-UHFFFAOYSA-N 1 0 269.414 2.112 10 0 CEAERO CC(C)(C)c1nnc(CN2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)o1 ZINC000063190264 519120658 /nfs/dbraw/zinc/12/06/58/519120658.db2.gz CNWLOZQGIQSLFH-QWHCGFSZSA-N 1 0 292.427 2.474 10 0 CEAERO CC(C)C[C@@H]([NH3+])[C@@H](O)c1ccc2c(c1)OCCCO2 ZINC000054929362 519224907 /nfs/dbraw/zinc/22/49/07/519224907.db2.gz IISYFEAEAPHJIO-DOMZBBRYSA-N 1 0 265.353 2.255 10 0 CEAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H](C)C(=O)N1CCCCCC1 ZINC000049555901 519342066 /nfs/dbraw/zinc/34/20/66/519342066.db2.gz ZSJZOIJEOSDLLV-JKSUJKDBSA-N 1 0 297.487 2.343 10 0 CEAERO CC(C)C[C@H](C[NH3+])Nc1nnc(C(F)(F)F)s1 ZINC000160371475 519346589 /nfs/dbraw/zinc/34/65/89/519346589.db2.gz ZIONTWORSAXUNI-ZCFIWIBFSA-N 1 0 268.308 2.342 10 0 CEAERO CC(C)C(=O)N1CC[N@H+](CCc2ccccc2)[C@@H](C)C1 ZINC000062691017 519471999 /nfs/dbraw/zinc/47/19/99/519471999.db2.gz JORFKERDVGQDIW-HNNXBMFYSA-N 1 0 274.408 2.418 10 0 CEAERO CC(C)Cn1ccnc(NCC[NH+]2CCC(C)CC2)c1=O ZINC000061764470 519519288 /nfs/dbraw/zinc/51/92/88/519519288.db2.gz CQIVWDRKVDMJNJ-UHFFFAOYSA-N 1 0 292.427 2.043 10 0 CEAERO CC(C)CCOCCCC[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000045478316 519665240 /nfs/dbraw/zinc/66/52/40/519665240.db2.gz ZIZPPTXJUZMFFK-OAHLLOKOSA-N 1 0 272.433 2.461 10 0 CEAERO CC(C)[NH2+]CC1([C@H]2CCS(=O)(=O)C2)CCCCC1 ZINC000054654980 519720116 /nfs/dbraw/zinc/72/01/16/519720116.db2.gz AGYZIZQWIVYWCQ-ZDUSSCGKSA-N 1 0 273.442 2.370 10 0 CEAERO CC(C)[NH2+]C[C@H](C)[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000052966164 519724610 /nfs/dbraw/zinc/72/46/10/519724610.db2.gz KKIKCFSVXZGYBA-AAEUAGOBSA-N 1 0 267.394 2.192 10 0 CEAERO CC(C)C[NH+]1CCN(CC(=O)c2ccc(F)c(F)c2)CC1 ZINC000055080174 519725523 /nfs/dbraw/zinc/72/55/23/519725523.db2.gz RDUIIDWEFPKGBQ-UHFFFAOYSA-N 1 0 296.361 2.421 10 0 CEAERO CC(C)[NH2+]C[C@H]1C[C@@]1(C)c1ccc(S(C)(=O)=O)cc1 ZINC000054595409 519726139 /nfs/dbraw/zinc/72/61/39/519726139.db2.gz CWKZDSLDWIZZBO-HIFRSBDPSA-N 1 0 281.421 2.366 10 0 CEAERO CC(C)C[NH+]1CCN(C[C@@H]2CCCCC[C@@H]2O)CC1 ZINC000055082372 519726667 /nfs/dbraw/zinc/72/66/67/519726667.db2.gz OSHKPGMSFKYWKF-HOTGVXAUSA-N 1 0 268.445 2.201 10 0 CEAERO CC(C)[NH2+]Cc1nnnn1[C@H](C)C1CCCCC1 ZINC000054746818 519730295 /nfs/dbraw/zinc/73/02/95/519730295.db2.gz HBEBYYLIAALGDR-LLVKDONJSA-N 1 0 251.378 2.312 10 0 CEAERO CC(C)[NH2+][C@@H](CCSc1ccccc1)C(N)=O ZINC000062597935 519734620 /nfs/dbraw/zinc/73/46/20/519734620.db2.gz NUUPPKIHLOOCLI-LBPRGKRZSA-N 1 0 252.383 2.021 10 0 CEAERO CC(C)[NH2+][C@@](C)(C[C@@H](C)n1ncc2ccccc21)C(N)=O ZINC000068649755 519736396 /nfs/dbraw/zinc/73/63/96/519736396.db2.gz WOHCXZHPSGYFDF-WBMJQRKESA-N 1 0 288.395 2.229 10 0 CEAERO CC(C)[NH2+][C@@](COC1CCCCCC1)(C(N)=O)C1CC1 ZINC000069194453 519737740 /nfs/dbraw/zinc/73/77/40/519737740.db2.gz AGPIMRDDKZRTBK-MRXNPFEDSA-N 1 0 282.428 2.358 10 0 CEAERO CC(C)[NH2+][C@](C)(C[C@H](C)n1ccnc1C(C)C)C(N)=O ZINC000068648678 519740063 /nfs/dbraw/zinc/74/00/63/519740063.db2.gz JNWOPJWWLMBUKX-SWLSCSKDSA-N 1 0 280.416 2.200 10 0 CEAERO CC(C)C[NH2+]Cc1nnnn1[C@@H]1CCC[C@H](C)C1 ZINC000054745217 519748707 /nfs/dbraw/zinc/74/87/07/519748707.db2.gz MUJZTRUDGBZHAZ-NWDGAFQWSA-N 1 0 251.378 2.170 10 0 CEAERO CC(C)C[C@@H](C)OCC[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000045503675 519774126 /nfs/dbraw/zinc/77/41/26/519774126.db2.gz DEDCTSHSIVZONM-TZMCWYRMSA-N 1 0 258.406 2.070 10 0 CEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)Nc1cccc(N)c1 ZINC000049560545 519775506 /nfs/dbraw/zinc/77/55/06/519775506.db2.gz ITMMHDLDLKOTNT-AWEZNQCLSA-N 1 0 278.400 2.367 10 0 CEAERO CC(C)Oc1ccc(-c2cc(N3CC[NH2+]CC3)n[nH]2)cc1 ZINC000062669917 519778161 /nfs/dbraw/zinc/77/81/61/519778161.db2.gz PPWVMMMFEWPSOC-UHFFFAOYSA-N 1 0 286.379 2.274 10 0 CEAERO CC(C)[C@H](C[NH2+]C1CC1)N1C[C@@H](C)OC(C)(C)C1 ZINC000052543355 519815870 /nfs/dbraw/zinc/81/58/70/519815870.db2.gz WOCUFVYEHDZKJB-OCCSQVGLSA-N 1 0 254.418 2.262 10 0 CEAERO CC(C)[C@H](C[NH2+]C1CC1)Oc1cccc(S(C)(=O)=O)c1 ZINC000052701333 519816012 /nfs/dbraw/zinc/81/60/12/519816012.db2.gz DRFZVLGDNAFTMV-HNNXBMFYSA-N 1 0 297.420 2.246 10 0 CEAERO CCC[NH+]1CCC(NCc2nc(C)c(C)o2)CC1 ZINC000049555253 519846955 /nfs/dbraw/zinc/84/69/55/519846955.db2.gz MUGPYWHQWSOLGK-UHFFFAOYSA-N 1 0 251.374 2.255 10 0 CEAERO CCC[NH+]1CCN(Cc2cccnc2NCC)CC1 ZINC000052709703 519859013 /nfs/dbraw/zinc/85/90/13/519859013.db2.gz MGWLPLRDPMXCQQ-UHFFFAOYSA-N 1 0 262.401 2.041 10 0 CEAERO CCC1CC[NH+](C[C@@](NC2CC2)(C(=O)OC)C2CC2)CC1 ZINC000069183785 519859260 /nfs/dbraw/zinc/85/92/60/519859260.db2.gz ZUIMYXOCUYDPRU-KRWDZBQOSA-N 1 0 294.439 2.182 10 0 CEAERO CCCN1CC[NH+]([C@H](CC(N)=S)c2ccccc2)CC1 ZINC000055024536 519859627 /nfs/dbraw/zinc/85/96/27/519859627.db2.gz PZYVTZAAYWHYLC-OAHLLOKOSA-N 1 0 291.464 2.432 10 0 CEAERO CCCN1CC[C@@H]([NH3+])[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000070299160 519862324 /nfs/dbraw/zinc/86/23/24/519862324.db2.gz RLMBNOSWJCJDDY-OCCSQVGLSA-N 1 0 294.395 2.197 10 0 CEAERO CCCC1(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC[NH2+]CC1 ZINC000062849140 519887659 /nfs/dbraw/zinc/88/76/59/519887659.db2.gz XHQMOXRLWHZAIU-LSDHHAIUSA-N 1 0 294.439 2.326 10 0 CEAERO CCCNC(=O)[C@@H](C)Oc1cc(F)ccc1[C@@H](C)[NH2+]C ZINC000062746474 519888975 /nfs/dbraw/zinc/88/89/75/519888975.db2.gz HDKRVPSTJIFSEV-GHMZBOCLSA-N 1 0 282.359 2.400 10 0 CEAERO CCCNC(=O)[C@H](C)n1c(C)[nH+]c2cc(N)ccc21 ZINC000052855392 519894442 /nfs/dbraw/zinc/89/44/42/519894442.db2.gz SEVDBIZTJNBZFH-VIFPVBQESA-N 1 0 260.341 2.014 10 0 CEAERO CCCC1CCC([NH2+]C[C@H](O)COC[C@@H]2CCCO2)CC1 ZINC000049545373 519898738 /nfs/dbraw/zinc/89/87/38/519898738.db2.gz WEVCQQRDXJDZDS-GQGLESIBSA-N 1 0 299.455 2.491 10 0 CEAERO CCCC1CC[NH+](CC[C@](C)(NC)C(=O)OCC)CC1 ZINC000050905733 519901640 /nfs/dbraw/zinc/90/16/40/519901640.db2.gz QUXPXZVRPYMYID-INIZCTEOSA-N 1 0 284.444 2.430 10 0 CEAERO CCCC1CC[NH+](Cc2ccc(C(N)=O)cc2N)CC1 ZINC000050892875 519901984 /nfs/dbraw/zinc/90/19/84/519901984.db2.gz VBLJMDXWILJEIO-UHFFFAOYSA-N 1 0 275.396 2.380 10 0 CEAERO CCCC1CC[NH+]([C@@H](C)C[C@](C)(NCC)C(N)=O)CC1 ZINC000068641787 519902710 /nfs/dbraw/zinc/90/27/10/519902710.db2.gz BGUGFVJGBPOTEM-BBRMVZONSA-N 1 0 283.460 2.131 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N[C@H](C)c1sc(C)nc1C ZINC000061298217 519906050 /nfs/dbraw/zinc/90/60/50/519906050.db2.gz RRMPPSKZZSQVCS-SECBINFHSA-N 1 0 269.414 2.325 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000061286817 519906498 /nfs/dbraw/zinc/90/64/98/519906498.db2.gz WLOGYVUZFODEPX-UHFFFAOYSA-N 1 0 296.367 2.039 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1cc(NC(C)=O)ccc1C ZINC000061290173 519906908 /nfs/dbraw/zinc/90/69/08/519906908.db2.gz ISEHQXCTQPXOIU-UHFFFAOYSA-N 1 0 277.368 2.280 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1ccc(OC)c(OCC)c1 ZINC000061292858 519907228 /nfs/dbraw/zinc/90/72/28/519907228.db2.gz YPKUKPHCAOZOFY-UHFFFAOYSA-N 1 0 280.368 2.421 10 0 CEAERO CC[NH2+]C(C)(C)CN1CCc2cc(OC)c(OC)cc2C1 ZINC000061299603 519907869 /nfs/dbraw/zinc/90/78/69/519907869.db2.gz KCUPVINHBGWMTM-UHFFFAOYSA-N 1 0 292.423 2.450 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1cccc(OCC)c1 ZINC000061293734 519907893 /nfs/dbraw/zinc/90/78/93/519907893.db2.gz JSWAPSGZQRBLHT-UHFFFAOYSA-N 1 0 250.342 2.412 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1ccccc1OCC ZINC000061286766 519908196 /nfs/dbraw/zinc/90/81/96/519908196.db2.gz AIJGJXRQXQPYAL-UHFFFAOYSA-N 1 0 250.342 2.412 10 0 CEAERO CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CCCOCC ZINC000054601488 519909627 /nfs/dbraw/zinc/90/96/27/519909627.db2.gz FKVKKQSHJXHGKD-GOOCMWNKSA-N 1 0 254.418 2.408 10 0 CEAERO CC[NH2+]CCC(=O)N[C@H]1CCCC[C@H]1C(F)(F)F ZINC000061292883 519917385 /nfs/dbraw/zinc/91/73/85/519917385.db2.gz QNXQHHLFADSAKK-ZJUUUORDSA-N 1 0 266.307 2.223 10 0 CEAERO CC[NH2+]CCC(=O)Nc1ccc(C(=O)N(CC)CC)cc1 ZINC000061298820 519917884 /nfs/dbraw/zinc/91/78/84/519917884.db2.gz WXBPTQGDACBFPF-UHFFFAOYSA-N 1 0 291.395 2.107 10 0 CEAERO CCC[NH2+]C[C@@H](O)c1ccccc1Br ZINC000055028404 519921761 /nfs/dbraw/zinc/92/17/61/519921761.db2.gz ZQZPATWYPIXZDD-LLVKDONJSA-N 1 0 258.159 2.482 10 0 CEAERO CCC[NH2+]C[C@@H]1CC[C@H](Cn2nc(C)cc2C)O1 ZINC000052575916 519926451 /nfs/dbraw/zinc/92/64/51/519926451.db2.gz IEKNTIMCDAAFCY-UONOGXRCSA-N 1 0 251.374 2.047 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000061230294 519934714 /nfs/dbraw/zinc/93/47/14/519934714.db2.gz JRXXNSMZHMWPHF-MGPQQGTHSA-N 1 0 252.402 2.271 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N[C@H](C)Cc1c(F)cccc1F ZINC000061234699 519938018 /nfs/dbraw/zinc/93/80/18/519938018.db2.gz KAUCMENXQUDTJO-GHMZBOCLSA-N 1 0 284.350 2.258 10 0 CEAERO CCC[NH2+]C[C@](C)(CCC)[C@H]1CCS(=O)(=O)C1 ZINC000054656772 519941007 /nfs/dbraw/zinc/94/10/07/519941007.db2.gz VJVFQMYWIOLFJA-STQMWFEESA-N 1 0 261.431 2.227 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1cccc(COCCOC)c1 ZINC000061234595 519941588 /nfs/dbraw/zinc/94/15/88/519941588.db2.gz IRZUHCNSNWZYSD-CYBMUJFWSA-N 1 0 294.395 2.034 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1cnc2c(cnn2C(C)C)c1 ZINC000061267303 519943160 /nfs/dbraw/zinc/94/31/60/519943160.db2.gz KZDUIOPCYZDPJN-LLVKDONJSA-N 1 0 289.383 2.196 10 0 CEAERO CCC[NH2+]Cc1c(C)nn([C@@H]2CCC[C@H]2O)c1C ZINC000054599505 519943235 /nfs/dbraw/zinc/94/32/35/519943235.db2.gz RVQPDYKRPJADPA-ZIAGYGMSSA-N 1 0 251.374 2.085 10 0 CEAERO CC[NH2+]C[C@@H](CC)N1CCN(c2cccc(OC)c2)CC1 ZINC000052423682 519944826 /nfs/dbraw/zinc/94/48/26/519944826.db2.gz GCTPMEZPXMIJDG-OAHLLOKOSA-N 1 0 291.439 2.205 10 0 CEAERO CC[NH2+]C[C@@H](CCS(C)(=O)=O)Cc1ccccc1F ZINC000052979235 519946623 /nfs/dbraw/zinc/94/66/23/519946623.db2.gz QYDAFPDJNGVFKT-LBPRGKRZSA-N 1 0 287.400 2.029 10 0 CEAERO CCC[NH2+]Cc1cccc(OC[C@H](O)C(F)(F)F)c1 ZINC000068876131 519957114 /nfs/dbraw/zinc/95/71/14/519957114.db2.gz DNMHEZLUKRPGIN-LBPRGKRZSA-N 1 0 277.286 2.488 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N(C)[C@@H]1CCc2ccccc21 ZINC000061230119 519958844 /nfs/dbraw/zinc/95/88/44/519958844.db2.gz KGVJVDNZPKMAMW-SWLSCSKDSA-N 1 0 260.381 2.378 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N[C@@H](C)c1sc(C)nc1C ZINC000061266918 519965081 /nfs/dbraw/zinc/96/50/81/519965081.db2.gz ONGUQKLRTVZMIY-WPRPVWTQSA-N 1 0 269.414 2.183 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000061233890 519966241 /nfs/dbraw/zinc/96/62/41/519966241.db2.gz PAHDEHDJHXEINX-NSHDSACASA-N 1 0 272.352 2.261 10 0 CEAERO CCC[NH2+]Cc1sc(N2CCOC[C@@H]2C)nc1CC ZINC000054997352 519974754 /nfs/dbraw/zinc/97/47/54/519974754.db2.gz YWQKSQHXTZRVGI-NSHDSACASA-N 1 0 283.441 2.430 10 0 CEAERO CC[NH2+]C[C@]1(Cc2ncc(C)c(OC)c2C)CCOC1 ZINC000054664198 519982812 /nfs/dbraw/zinc/98/28/12/519982812.db2.gz FUFGVIUXGBVHAH-MRXNPFEDSA-N 1 0 278.396 2.266 10 0 CEAERO CC[NH2+]Cc1cc2c(cc1OC1CCOCC1)OCO2 ZINC000069289142 519992557 /nfs/dbraw/zinc/99/25/57/519992557.db2.gz NPEDAAPKVGCNMZ-UHFFFAOYSA-N 1 0 279.336 2.083 10 0 CEAERO CCC[NH2+][C@@H](CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)[O-] ZINC000062451504 520001357 /nfs/dbraw/zinc/00/13/57/520001357.db2.gz NMMULKPIGPNTKG-ZNMIVQPWSA-N 1 0 282.428 2.341 10 0 CEAERO CC[NH2+]Cc1cccc(OCCn2nc(C)nc2C)c1 ZINC000052574401 520005636 /nfs/dbraw/zinc/00/56/36/520005636.db2.gz CACGDJHHAOBYAH-UHFFFAOYSA-N 1 0 274.368 2.083 10 0 CEAERO CCC[NH2+][C@@H](CS(C)(=O)=O)c1ccccc1OCC ZINC000054930582 520011305 /nfs/dbraw/zinc/01/13/05/520011305.db2.gz RZVHCGLRQAILQB-ZDUSSCGKSA-N 1 0 285.409 2.171 10 0 CEAERO CC[NH2+]Cc1ccnc(N(CCOC)[C@H](C)CC)c1 ZINC000051517635 520011393 /nfs/dbraw/zinc/01/13/93/520011393.db2.gz BDCCBMBJTCZMRU-CYBMUJFWSA-N 1 0 265.401 2.442 10 0 CEAERO CC[NH2+]Cc1ccoc1CN1C[C@H](C)OC[C@@H]1CC ZINC000052570882 520013850 /nfs/dbraw/zinc/01/38/50/520013850.db2.gz PAJKNDUADIEDEW-JSGCOSHPSA-N 1 0 266.385 2.388 10 0 CEAERO CC[NH2+]Cc1cnc(Cc2cccc(OC)c2)nc1 ZINC000054855641 520015606 /nfs/dbraw/zinc/01/56/06/520015606.db2.gz WDXCOXDCKGABPV-UHFFFAOYSA-N 1 0 257.337 2.186 10 0 CEAERO CCC[NH2+][C@@H](c1ccc(OC)c(C)c1)[C@H]1COCCO1 ZINC000055300744 520017730 /nfs/dbraw/zinc/01/77/30/520017730.db2.gz JRCSIKFGQYOOGW-CVEARBPZSA-N 1 0 279.380 2.460 10 0 CEAERO CCC[NH2+][C@@H]1CCc2c1cccc2OC[C@H](O)COC ZINC000069053954 520027212 /nfs/dbraw/zinc/02/72/12/520027212.db2.gz OEXAEYCUGQJGOF-IUODEOHRSA-N 1 0 279.380 2.060 10 0 CEAERO CCC[NH2+][C@@H]1CCc2c1cccc2OCC(=O)OC ZINC000062799996 520027589 /nfs/dbraw/zinc/02/75/89/520027589.db2.gz JXGIWNYKTJHKHJ-CYBMUJFWSA-N 1 0 263.337 2.225 10 0 CEAERO CC[NH2+]Cc1occc1CN1C[C@H](C)OC(C)(C)C1 ZINC000052543481 520031195 /nfs/dbraw/zinc/03/11/95/520031195.db2.gz DVVVVSXMYYRYNP-LBPRGKRZSA-N 1 0 266.385 2.388 10 0 CEAERO CCN(C(=O)[C@@]1(C)CC[NH2+]C1)c1cccc(F)c1 ZINC000062902669 520038053 /nfs/dbraw/zinc/03/80/53/520038053.db2.gz BFGTXUXITYFDAI-AWEZNQCLSA-N 1 0 250.317 2.178 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)NCc1ccccc1Br ZINC000061274047 520065378 /nfs/dbraw/zinc/06/53/78/520065378.db2.gz GJOKAJNBRJTCDY-JTQLQIEISA-N 1 0 299.212 2.453 10 0 CEAERO CCC[NH2+][C@H](CC)[C@H](C)N1CCN(CC(F)(F)F)CC1 ZINC000061941279 520069173 /nfs/dbraw/zinc/06/91/73/520069173.db2.gz ZJQCVFBSPGZSKY-QWHCGFSZSA-N 1 0 295.393 2.333 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1cccc(NC(=O)CC)c1 ZINC000061273626 520071175 /nfs/dbraw/zinc/07/11/75/520071175.db2.gz CBNUJIHSPOCFMJ-NSHDSACASA-N 1 0 277.368 2.362 10 0 CEAERO CC[NH2+][C@@H](C)CC(=O)Nc1cccc(NC(=O)OC)c1 ZINC000061271554 520071234 /nfs/dbraw/zinc/07/12/34/520071234.db2.gz SYAGNCJKZVFSTD-JTQLQIEISA-N 1 0 279.340 2.192 10 0 CEAERO CC[NH2+][C@@H](C)Cc1nc(Cc2ccccc2F)no1 ZINC000061213062 520072445 /nfs/dbraw/zinc/07/24/45/520072445.db2.gz AHEWRMGCSWZMGQ-JTQLQIEISA-N 1 0 263.316 2.340 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(NC(=O)N(C)C[C@@H](C)O)cc1 ZINC000051843431 520075943 /nfs/dbraw/zinc/07/59/43/520075943.db2.gz QZHDNHKTPPWQDE-NEPJUHHUSA-N 1 0 279.384 2.202 10 0 CEAERO CCC[NH2+][C@H](CCN1c2ccccc2CC[C@@H]1C)C(N)=O ZINC000062436683 520076941 /nfs/dbraw/zinc/07/69/41/520076941.db2.gz INNIHGQTZXNNPX-DZGCQCFKSA-N 1 0 289.423 2.071 10 0 CEAERO CC[NH2+][C@@H](C)c1cccc(S(=O)(=O)N[C@H]2C[C@@H]2C)c1 ZINC000052295399 520077923 /nfs/dbraw/zinc/07/79/23/520077923.db2.gz FPHXZCGCUNFKIZ-MJVIPROJSA-N 1 0 282.409 2.044 10 0 CEAERO CC[NH2+][C@@H](C)c1cnc(N2CCOC(C)(C)C2)s1 ZINC000054904545 520080770 /nfs/dbraw/zinc/08/07/70/520080770.db2.gz VFDQKNYQKLMTNM-JTQLQIEISA-N 1 0 269.414 2.429 10 0 CEAERO CCC[NH2+][C@H](c1ccc(F)c(F)c1)[C@@H]1COCCO1 ZINC000055300595 520089417 /nfs/dbraw/zinc/08/94/17/520089417.db2.gz RUQLCXVNCZJWJE-UONOGXRCSA-N 1 0 271.307 2.421 10 0 CEAERO CCC[NH2+][C@H](c1ccc(OC)cc1)[C@@H](C)S(C)(=O)=O ZINC000054930579 520090039 /nfs/dbraw/zinc/09/00/39/520090039.db2.gz OOLUSAVTZAZKCV-RISCZKNCSA-N 1 0 285.409 2.169 10 0 CEAERO CCC[NH2+][C@H](c1ccc(OC)c(C)c1)[C@@H]1COCCO1 ZINC000055300742 520090958 /nfs/dbraw/zinc/09/09/58/520090958.db2.gz JRCSIKFGQYOOGW-JKSUJKDBSA-N 1 0 279.380 2.460 10 0 CEAERO CCC[NH2+][C@H]1CCN(C[C@@H]2Cc3ccccc3O2)C1 ZINC000051086790 520094797 /nfs/dbraw/zinc/09/47/97/520094797.db2.gz BIWUFEIZGDWEHI-GJZGRUSLSA-N 1 0 260.381 2.064 10 0 CEAERO CCC[NH2+][C@H]1CCN(c2ccc(F)cc2OC)C1 ZINC000049568608 520096345 /nfs/dbraw/zinc/09/63/45/520096345.db2.gz WSFRVCVYIDATQZ-LBPRGKRZSA-N 1 0 252.333 2.413 10 0 CEAERO CCC[NH2+][C@H]1COc2cc(OC[C@@H](O)CC)ccc21 ZINC000062805120 520098004 /nfs/dbraw/zinc/09/80/04/520098004.db2.gz VHZOSWDHGJIHCZ-FZMZJTMJSA-N 1 0 265.353 2.269 10 0 CEAERO CCCN[C@](C)(CC[N@@H+]1CCCC(C)(C)C1)C(=O)OC ZINC000069516839 520105051 /nfs/dbraw/zinc/10/50/51/520105051.db2.gz PIMPKTXVJJUBAB-MRXNPFEDSA-N 1 0 284.444 2.430 10 0 CEAERO CC[NH2+][C@@H](Cn1c2ccccc2nc(C)c1=O)C1CC1 ZINC000069078599 520107546 /nfs/dbraw/zinc/10/75/46/520107546.db2.gz MCRBBCAMRISBHI-AWEZNQCLSA-N 1 0 271.364 2.093 10 0 CEAERO CC[NH2+][C@@H](Cn1nc(C)ccc1=O)c1ccccc1C ZINC000061810184 520108254 /nfs/dbraw/zinc/10/82/54/520108254.db2.gz KXXLXRAMRCXNNW-HNNXBMFYSA-N 1 0 271.364 2.211 10 0 CEAERO CCCN[C@](C)(C[C@@H](C)[N@H+](C)CC1CCC1)C(=O)OC ZINC000068642708 520109894 /nfs/dbraw/zinc/10/98/94/520109894.db2.gz FDCBDCNTVXVLIC-CZUORRHYSA-N 1 0 284.444 2.428 10 0 CEAERO CCCN[C@](C)(C[C@@H](C)[N@H+](C)[C@@H](C)C1CC1)C(=O)OC ZINC000068625421 520109999 /nfs/dbraw/zinc/10/99/99/520109999.db2.gz GEXLVNHZQVCBKO-DVOMOZLQSA-N 1 0 284.444 2.427 10 0 CEAERO CC[NH2+][C@@H]1CCCc2nc(N(C)CCOC)sc21 ZINC000054909078 520118626 /nfs/dbraw/zinc/11/86/26/520118626.db2.gz FALGCLJPDQKJQO-SNVBAGLBSA-N 1 0 269.414 2.213 10 0 CEAERO CCC[NH2+][C@](COc1cccc(CC)c1)(C(N)=O)C1CC1 ZINC000069196622 520123368 /nfs/dbraw/zinc/12/33/68/520123368.db2.gz UWDGUKUMPIRGBC-KRWDZBQOSA-N 1 0 290.407 2.262 10 0 CEAERO 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CCN(CC[C@@H]([NH2+]C(C)C)C(N)=O)c1cccc(C)c1 ZINC000062452990 521155572 /nfs/dbraw/zinc/15/55/72/521155572.db2.gz SQZPFVGVXUHKEW-OAHLLOKOSA-N 1 0 277.412 2.063 10 0 CEAERO CCOC(=O)[C@@](C)([NH3+])C[C@@H](C)n1nc(C)c(CC)c1C ZINC000068649205 521157012 /nfs/dbraw/zinc/15/70/12/521157012.db2.gz VUVOSLRLKYLUNB-BMIGLBTASA-N 1 0 281.400 2.294 10 0 CEAERO CCC[C@H]([NH2+]C[C@@H](C)N1CCOCC1)c1cccnc1 ZINC000184933981 521159554 /nfs/dbraw/zinc/15/95/54/521159554.db2.gz KCHQAEKSPRFXLH-ZBFHGGJFSA-N 1 0 277.412 2.233 10 0 CEAERO CCCC[C@H](CC)[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000069376867 521180786 /nfs/dbraw/zinc/18/07/86/521180786.db2.gz JEAZXRIQMDBHRO-ZDUSSCGKSA-N 1 0 284.425 2.392 10 0 CEAERO CCN(C[C@H]1CCCO1)c1nc(C2CC2)c(C[NH3+])s1 ZINC000069180376 521271344 /nfs/dbraw/zinc/27/13/44/521271344.db2.gz ISWLNCCAVRRDRO-LLVKDONJSA-N 1 0 281.425 2.485 10 0 CEAERO CCN(Cc1cc(C[NH3+])c(C)o1)CC(F)(F)F ZINC000052503068 521290282 /nfs/dbraw/zinc/29/02/82/521290282.db2.gz XBOAYALUXNYFMO-UHFFFAOYSA-N 1 0 250.264 2.431 10 0 CEAERO CCC[C@]1(C(=O)NCc2cccc(OC)c2)CCC[NH2+]C1 ZINC000062856004 521298868 /nfs/dbraw/zinc/29/88/68/521298868.db2.gz OSSREZGNJAIRRX-KRWDZBQOSA-N 1 0 290.407 2.481 10 0 CEAERO CCOC(=O)[C@](C)(C[C@H](C)[NH+]1Cc2ccccc2C1)NC ZINC000068642056 521324435 /nfs/dbraw/zinc/32/44/35/521324435.db2.gz HNJQLIXOJOYQNZ-GUYCJALGSA-N 1 0 290.407 2.322 10 0 CEAERO CCOC(=O)[C@](C)([NH3+])CCCOc1cc(F)cc(F)c1 ZINC000054934118 521327296 /nfs/dbraw/zinc/32/72/96/521327296.db2.gz ZKPGVGKPXFSAKX-CQSZACIVSA-N 1 0 287.306 2.404 10 0 CEAERO CCOC(=O)[C@](C)([NH3+])CCOCC1CCCCC1 ZINC000052157089 521327519 /nfs/dbraw/zinc/32/75/19/521327519.db2.gz YBFRZRPSYOCQBX-CQSZACIVSA-N 1 0 257.374 2.254 10 0 CEAERO CCOC(=O)[C@](C)([NH3+])CCCOc1cccc(COC)c1 ZINC000069508576 521328291 /nfs/dbraw/zinc/32/82/91/521328291.db2.gz VTGIMVZTGWTXKX-MRXNPFEDSA-N 1 0 295.379 2.273 10 0 CEAERO CC[N@@H+](Cc1ccc(OC)cc1)C[C@H](C)C(N)=S ZINC000068709204 521328530 /nfs/dbraw/zinc/32/85/30/521328530.db2.gz AECOSWNUTLKICI-NSHDSACASA-N 1 0 266.410 2.439 10 0 CEAERO CCOC(=O)[C@](C[N@H+](CC(C)C)C1CC1)(NC)C1CC1 ZINC000069132037 521339198 /nfs/dbraw/zinc/33/91/98/521339198.db2.gz HMEMDZJEIOQGLE-MRXNPFEDSA-N 1 0 282.428 2.038 10 0 CEAERO CCOC(=O)[C@]1(N2CCC[NH2+]CC2)CCC[C@@H](C)[C@@H]1C ZINC000068631406 521358201 /nfs/dbraw/zinc/35/82/01/521358201.db2.gz JLFWCQYICIQGEM-YCPHGPKFSA-N 1 0 282.428 2.040 10 0 CEAERO CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@@H](C)[NH2+]C ZINC000052395750 521391432 /nfs/dbraw/zinc/39/14/32/521391432.db2.gz KCKPFXLGOQOCKO-MRVPVSSYSA-N 1 0 284.381 2.088 10 0 CEAERO CCN(Cc1ccco1)C(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000061612066 521398288 /nfs/dbraw/zinc/39/82/88/521398288.db2.gz OWPMXTUPNUEADF-HNNXBMFYSA-N 1 0 272.348 2.371 10 0 CEAERO CCN(Cc1ccoc1C[NH2+]C)Cc1ccncc1 ZINC000052514963 521425159 /nfs/dbraw/zinc/42/51/59/521425159.db2.gz YMZZFWPNSCXURO-UHFFFAOYSA-N 1 0 259.353 2.416 10 0 CEAERO CCN([C@@H](C[NH2+]C)c1ccccc1)[C@@H](C)COC ZINC000052505103 521472643 /nfs/dbraw/zinc/47/26/43/521472643.db2.gz JVFWUIZAGXOTAU-ZFWWWQNUSA-N 1 0 250.386 2.304 10 0 CEAERO CCN(c1ncc([C@@H](C)[NH2+]C)s1)[C@@H](C)COC ZINC000054906535 521507578 /nfs/dbraw/zinc/50/75/78/521507578.db2.gz VVIXRQNNLYCEAG-VHSXEESVSA-N 1 0 257.403 2.285 10 0 CEAERO CCC(CC)N(CCOC)C(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000061612063 521556992 /nfs/dbraw/zinc/55/69/92/521556992.db2.gz WLWLSXJJVCSWDM-INIZCTEOSA-N 1 0 292.423 2.393 10 0 CEAERO CCC(CC)N(CCOC)C(=O)[C@H]1CCC[C@H](C)[C@@H]1[NH3+] ZINC000055133743 521557520 /nfs/dbraw/zinc/55/75/20/521557520.db2.gz SRZUHJQPXHPQPD-QEJZJMRPSA-N 1 0 284.444 2.414 10 0 CEAERO CCC(CC)NC(=O)[C@H](C)[NH2+]C[C@@H](C)CSC ZINC000069448199 521592240 /nfs/dbraw/zinc/59/22/40/521592240.db2.gz KZSZSPZXQADBED-MNOVXSKESA-N 1 0 260.447 2.268 10 0 CEAERO CCC(CC)[C@@H](CNC(=O)c1ccc(F)nc1)[NH+](C)C ZINC000070083945 521604795 /nfs/dbraw/zinc/60/47/95/521604795.db2.gz VSQAVRGIKDLNCI-CYBMUJFWSA-N 1 0 281.375 2.317 10 0 CEAERO CCOc1nc(N[C@@H](C)C[NH+]2CCCCC2)ccc1N ZINC000049500794 521606545 /nfs/dbraw/zinc/60/65/45/521606545.db2.gz OWWVWAMYPIVUMB-LBPRGKRZSA-N 1 0 278.400 2.349 10 0 CEAERO CC[N@@H+]1CCC[C@@H](N2C(=S)N=NC2C(C)C)C1 ZINC000049219372 521627879 /nfs/dbraw/zinc/62/78/79/521627879.db2.gz LUHKLDMBBUTVTN-SNVBAGLBSA-N 1 0 254.403 2.347 10 0 CEAERO CCC[NH+](CCC)C[C@](NC1CC1)(C(=O)OC)C1CC1 ZINC000069095540 521647659 /nfs/dbraw/zinc/64/76/59/521647659.db2.gz HBNVOAUPCHINEY-MRXNPFEDSA-N 1 0 282.428 2.182 10 0 CEAERO CCCN(CC[NH3+])C(=O)c1cccc(OC(C)C)c1 ZINC000061665808 521660263 /nfs/dbraw/zinc/66/02/63/521660263.db2.gz CTHDBRPZKTWROW-UHFFFAOYSA-N 1 0 264.369 2.285 10 0 CEAERO CCC1(C(=O)Nc2ccccc2C(=O)OC)CC[NH2+]CC1 ZINC000062848304 521673446 /nfs/dbraw/zinc/67/34/46/521673446.db2.gz IFGUYCBOZXLGBN-UHFFFAOYSA-N 1 0 290.363 2.192 10 0 CEAERO CCC1(CC)C[NH2+][C@H](C)CN1Cc1cccc(OC)n1 ZINC000068698507 521690319 /nfs/dbraw/zinc/69/03/19/521690319.db2.gz YCDSJEMDLPIAOQ-CYBMUJFWSA-N 1 0 277.412 2.443 10 0 CEAERO CCC1(CC)C[NH2+]CCN1Cc1cn2ccccc2n1 ZINC000068696273 521690812 /nfs/dbraw/zinc/69/08/12/521690812.db2.gz SCMCZEFVOYHRAM-UHFFFAOYSA-N 1 0 272.396 2.298 10 0 CEAERO CCN1CCc2nc(C[NH2+]CC(C)C)sc2C1 ZINC000061799578 521724479 /nfs/dbraw/zinc/72/44/79/521724479.db2.gz CSULIQRNNUWNKJ-UHFFFAOYSA-N 1 0 253.415 2.267 10 0 CEAERO CCc1cccc(O[C@@H](C)C[C@@](C)([NH2+]C2CC2)C(N)=O)c1 ZINC000068654357 521780899 /nfs/dbraw/zinc/78/08/99/521780899.db2.gz MBSMALPVJGISAL-YVEFUNNKSA-N 1 0 290.407 2.402 10 0 CEAERO COc1c(C)cnc(C[C@@H]([NH3+])Cc2ccccn2)c1C ZINC000053818140 521816510 /nfs/dbraw/zinc/81/65/10/521816510.db2.gz QHISFPSYJVGRGG-ZDUSSCGKSA-N 1 0 271.364 2.215 10 0 CEAERO COC(=O)c1cc(C)ccc1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054306545 521820910 /nfs/dbraw/zinc/82/09/10/521820910.db2.gz BPUWSHPDVDBBFK-LBPRGKRZSA-N 1 0 290.363 2.110 10 0 CEAERO COc1c(CNc2ccc(C[NH+](C)C)cc2)c(C)nn1C ZINC000157444383 521833769 /nfs/dbraw/zinc/83/37/69/521833769.db2.gz ZMQVUOPPNZDXDO-UHFFFAOYSA-N 1 0 288.395 2.411 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N(C)Cc1ccccc1Cl ZINC000061316846 521931340 /nfs/dbraw/zinc/93/13/40/521931340.db2.gz CHBSROUBOUNFLL-UHFFFAOYSA-N 1 0 254.761 2.296 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N(Cc1ccccc1F)C1CC1 ZINC000061316955 521933376 /nfs/dbraw/zinc/93/33/76/521933376.db2.gz UZFQRFJOEZCSEX-UHFFFAOYSA-N 1 0 264.344 2.315 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000061300701 521936868 /nfs/dbraw/zinc/93/68/68/521936868.db2.gz YEFSMLOSPDGCHZ-VIFPVBQESA-N 1 0 286.322 2.463 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N[C@H](C)c1cccc(OC(F)F)c1 ZINC000061300702 521938317 /nfs/dbraw/zinc/93/83/17/521938317.db2.gz YEFSMLOSPDGCHZ-SECBINFHSA-N 1 0 286.322 2.463 10 0 CEAERO COCC[C@H]([NH3+])C(=O)Nc1ccccc1C(F)(F)F ZINC000052790763 521949049 /nfs/dbraw/zinc/94/90/49/521949049.db2.gz GSAPNTMRIWCTBF-VIFPVBQESA-N 1 0 276.258 2.008 10 0 CEAERO CCc1ccsc1C(=O)N1[C@H](C)C[NH2+]C[C@@H]1C ZINC000069132651 521994445 /nfs/dbraw/zinc/99/44/45/521994445.db2.gz KRCVNDURCUFVEC-AOOOYVTPSA-N 1 0 252.383 2.133 10 0 CEAERO COC(=O)c1ccc(CN2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000246248133 522008808 /nfs/dbraw/zinc/00/88/08/522008808.db2.gz VZFHRPRSJWMAAC-INIZCTEOSA-N 1 0 288.391 2.143 10 0 CEAERO C[NH2+]CCc1nc(-c2nccc3ccccc32)no1 ZINC000069312111 522020827 /nfs/dbraw/zinc/02/08/27/522020827.db2.gz PXDVWSRMOKTQCB-UHFFFAOYSA-N 1 0 254.293 2.047 10 0 CEAERO C[NH2+]C[C@@H](c1ccccc1)n1nnc2ccccc21 ZINC000052576747 522038366 /nfs/dbraw/zinc/03/83/66/522038366.db2.gz UALOXZBMBKCYAJ-HNNXBMFYSA-N 1 0 252.321 2.240 10 0 CEAERO C[NH2+]C[C@@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000070283969 522055758 /nfs/dbraw/zinc/05/57/58/522055758.db2.gz HAEGIQBJFLXMNG-XJKSGUPXSA-N 1 0 260.381 2.440 10 0 CEAERO C[NH2+]C[C@@H]1C[C@H]1c1cc(OC)c(OC)cc1OC ZINC000054588636 522062318 /nfs/dbraw/zinc/06/23/18/522062318.db2.gz FMHDGRCZTLHZSQ-VHSXEESVSA-N 1 0 251.326 2.035 10 0 CEAERO C[NH2+]C[C@H](C(C)C)N(C)Cc1ccc(OC)cc1 ZINC000052541509 522063283 /nfs/dbraw/zinc/06/32/83/522063283.db2.gz BDOXRIZKFBRDJW-OAHLLOKOSA-N 1 0 250.386 2.371 10 0 CEAERO C[NH2+]C[C@H](Cc1cnn(C)c1)Cc1cccc(C)c1 ZINC000052976345 522074653 /nfs/dbraw/zinc/07/46/53/522074653.db2.gz FKVRYEOEHWVJNS-HNNXBMFYSA-N 1 0 257.381 2.349 10 0 CEAERO C[NH2+]C[C@H](OCCOC(C)C)c1ccccc1OC ZINC000050495339 522075783 /nfs/dbraw/zinc/07/57/83/522075783.db2.gz XMMGEHZQIOOQSC-HNNXBMFYSA-N 1 0 267.369 2.397 10 0 CEAERO C[NH2+]C[C@H]1CC[C@@H](Cn2cc(-c3ccccc3)cn2)O1 ZINC000054962027 522095396 /nfs/dbraw/zinc/09/53/96/522095396.db2.gz OPTSWJGZEUDGQS-CVEARBPZSA-N 1 0 271.364 2.317 10 0 CEAERO C[NH2+]C[C@H]1CC[C@H](CN(C)c2ccc(F)cc2)O1 ZINC000052540537 522096164 /nfs/dbraw/zinc/09/61/64/522096164.db2.gz CQNPIVSNXYQMKN-ZIAGYGMSSA-N 1 0 252.333 2.029 10 0 CEAERO C[NH2+]Cc1c(C)nn(C)c1N(C)c1ccccc1F ZINC000050005969 522101271 /nfs/dbraw/zinc/10/12/71/522101271.db2.gz HSPRJCSZYPDFKK-UHFFFAOYSA-N 1 0 262.332 2.355 10 0 CEAERO C[NH2+]Cc1cc(CN2CCc3sccc3C2)on1 ZINC000052416526 522106337 /nfs/dbraw/zinc/10/63/37/522106337.db2.gz FXXZVVUSDBHIKA-UHFFFAOYSA-N 1 0 263.366 2.014 10 0 CEAERO C[NH2+]Cc1cc(Cn2nnc(-c3ccccc3)n2)c(C)o1 ZINC000052574694 522112592 /nfs/dbraw/zinc/11/25/92/522112592.db2.gz PPFMKSTUEFXZDE-UHFFFAOYSA-N 1 0 283.335 2.009 10 0 CEAERO C[NH2+]Cc1ccc(OCCOC(C)C)c(OC)c1 ZINC000049259004 522123438 /nfs/dbraw/zinc/12/34/38/522123438.db2.gz DWQKXSTYASCJHN-UHFFFAOYSA-N 1 0 253.342 2.218 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(Cc2ccc(NC)nc2)CC1 ZINC000055071167 522126690 /nfs/dbraw/zinc/12/66/90/522126690.db2.gz VPIGYIPTQLADKE-CYBMUJFWSA-N 1 0 262.401 2.039 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(c2cccc(F)c2N)CC1 ZINC000055066633 522133781 /nfs/dbraw/zinc/13/37/81/522133781.db2.gz LJNOUDCZGUSZJM-LLVKDONJSA-N 1 0 251.349 2.328 10 0 CEAERO CN(C)c1cccc(OCc2ccc(NN)[nH+]c2)c1 ZINC000051148115 522281751 /nfs/dbraw/zinc/28/17/51/522281751.db2.gz GERPQQKUIALQNE-UHFFFAOYSA-N 1 0 258.325 2.012 10 0 CEAERO COC[C@@H]([NH3+])CCc1sccc1Br ZINC000051695279 522313388 /nfs/dbraw/zinc/31/33/88/522313388.db2.gz MARYNRVWROQLEY-ZETCQYMHSA-N 1 0 264.188 2.417 10 0 CEAERO C[NH2+][C@@H](C)C[C@H](C)N1CCN(c2cccc(OC)c2)CC1 ZINC000068654198 522323144 /nfs/dbraw/zinc/32/31/44/522323144.db2.gz ZLYYXXHVOSKNEC-GJZGRUSLSA-N 1 0 291.439 2.204 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(Sc2n[nH]c(=O)n2C)c(Cl)c1 ZINC000061700477 522335577 /nfs/dbraw/zinc/33/55/77/522335577.db2.gz RZLKTTPBKLBBPR-ZETCQYMHSA-N 1 0 298.799 2.193 10 0 CEAERO C[NH2+][C@@H](CCCS(C)(=O)=O)c1ccc2ncccc2c1 ZINC000063017476 522342401 /nfs/dbraw/zinc/34/24/01/522342401.db2.gz ZKWMKYFHIAMYNB-AWEZNQCLSA-N 1 0 292.404 2.320 10 0 CEAERO C[NH2+][C@@H](CS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000061702544 522357684 /nfs/dbraw/zinc/35/76/84/522357684.db2.gz MVALPMKFWWFGPS-HNNXBMFYSA-N 1 0 275.373 2.421 10 0 CEAERO COc1cc(C[NH3+])ccc1Oc1ncnc2c1CCC2 ZINC000061278026 522366861 /nfs/dbraw/zinc/36/68/61/522366861.db2.gz UJJBXUMNBJWCEP-UHFFFAOYSA-N 1 0 271.320 2.225 10 0 CEAERO CCc1nc(N2C[C@@H](C)O[C@H](C)C2)sc1C[NH2+]C ZINC000054995483 522389143 /nfs/dbraw/zinc/38/91/43/522389143.db2.gz DOCNHNVDADNHMV-NXEZZACHSA-N 1 0 269.414 2.039 10 0 CEAERO CCc1nc(N2C[C@@H](C)OC[C@@H]2CC)sc1C[NH3+] ZINC000055001380 522389419 /nfs/dbraw/zinc/38/94/19/522389419.db2.gz MXPLHVXYQHCTEE-ZJUUUORDSA-N 1 0 269.414 2.168 10 0 CEAERO CCc1nc(N2C[C@H](C)OC[C@@H]2CC)sc1C[NH2+]C ZINC000055001456 522389952 /nfs/dbraw/zinc/38/99/52/522389952.db2.gz GMGDGWVLCSDRQU-QWRGUYRKSA-N 1 0 283.441 2.429 10 0 CEAERO CCc1nc(NC(=O)[C@@](C)([NH3+])C2CC2)sc1C ZINC000049184685 522402371 /nfs/dbraw/zinc/40/23/71/522402371.db2.gz AJTDCFVJEIPAFB-LBPRGKRZSA-N 1 0 253.371 2.080 10 0 CEAERO C[NH2+][C@@](C)(C[C@H](C)O[C@@H]1C[C@@H](C)CC(C)(C)C1)C(N)=O ZINC000068653121 522419688 /nfs/dbraw/zinc/41/96/88/522419688.db2.gz FTORRMJWMSUISK-IATRGZMQSA-N 1 0 284.444 2.460 10 0 CEAERO C[NH2+][C@@](CO[C@H]1C[C@@H](C)CC(C)(C)C1)(C(N)=O)C1CC1 ZINC000069195633 522428666 /nfs/dbraw/zinc/42/86/66/522428666.db2.gz KIFJPQIPGRPNRL-PVXIVEMSSA-N 1 0 282.428 2.071 10 0 CEAERO C[NH2+][C@@](COc1ccc2ccccc2c1)(C(N)=O)C1CC1 ZINC000069197784 522430784 /nfs/dbraw/zinc/43/07/84/522430784.db2.gz KMQCSIMPKFDNFM-QGZVFWFLSA-N 1 0 284.359 2.072 10 0 CEAERO COc1cc(C[NH2+]C2CC2)c(-c2nccn2C)cc1OC ZINC000069473138 522441967 /nfs/dbraw/zinc/44/19/67/522441967.db2.gz ZKSSFYRIFVNIHV-UHFFFAOYSA-N 1 0 287.363 2.356 10 0 CEAERO C[NH2+][C@H](CCOc1ccc(-c2ccccc2)cc1)C(N)=O ZINC000062542653 522461133 /nfs/dbraw/zinc/46/11/33/522461133.db2.gz JCBDQNSIDCYJDR-MRXNPFEDSA-N 1 0 284.359 2.196 10 0 CEAERO C[NH2+][C@H](Cc1cc(C)ccc1OC)c1ncccn1 ZINC000050706853 522471252 /nfs/dbraw/zinc/47/12/52/522471252.db2.gz CEXDGMOGUIOCEZ-CYBMUJFWSA-N 1 0 257.337 2.297 10 0 CEAERO C[NH2+][C@H](Cc1cc(F)cc(F)c1)c1nccn1C ZINC000069473643 522473590 /nfs/dbraw/zinc/47/35/90/522473590.db2.gz BJYKSTOCBJYRPI-GFCCVEGCSA-N 1 0 251.280 2.202 10 0 CEAERO COc1cc(C[NH2+][C@@H](CN(C)C)C(C)C)cc(OC)c1 ZINC000049196953 522476243 /nfs/dbraw/zinc/47/62/43/522476243.db2.gz BXUIESGBDOTIPW-INIZCTEOSA-N 1 0 280.412 2.380 10 0 CEAERO C[NH2+][C@H](c1ccc2c(c1)CC(=O)N2C)[C@@H]1CCCCO1 ZINC000050961625 522482218 /nfs/dbraw/zinc/48/22/18/522482218.db2.gz OAQDEJYYJKIYQY-GOEBONIOSA-N 1 0 274.364 2.035 10 0 CEAERO C[NH2+][C@H](c1ccc2c(c1)CCCC2)[C@H]1COCCO1 ZINC000055299251 522483013 /nfs/dbraw/zinc/48/30/13/522483013.db2.gz FNFNBYJBUZXFPI-HZPDHXFCSA-N 1 0 261.365 2.241 10 0 CEAERO C[NH2+][C@H]1CCC[C@@H]1Oc1cc(OC)cc(OC)c1 ZINC000068967368 522498640 /nfs/dbraw/zinc/49/86/40/522498640.db2.gz QFPVLGGHFDUKAJ-KBPBESRZSA-N 1 0 251.326 2.223 10 0 CEAERO C[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1n1nc(C)nc1C ZINC000054556038 522505261 /nfs/dbraw/zinc/50/52/61/522505261.db2.gz URGPHRXSCLQGCD-RDBSUJKOSA-N 1 0 250.390 2.480 10 0 CEAERO CN(CC(=O)c1cc2ccccc2o1)C1CC[NH2+]CC1 ZINC000050158762 522536024 /nfs/dbraw/zinc/53/60/24/522536024.db2.gz AFKKDJCTPRHBKZ-UHFFFAOYSA-N 1 0 272.348 2.299 10 0 CEAERO CN(CC(=O)c1ccc2c(c1)CCC2)C1CC[NH2+]CC1 ZINC000050158799 522536605 /nfs/dbraw/zinc/53/66/05/522536605.db2.gz BRTXSDJDVYZBQO-UHFFFAOYSA-N 1 0 272.392 2.042 10 0 CEAERO CC[C@@H](C[NH2+]C)N1CCN(c2ccccc2Cl)CC1 ZINC000052443370 522546107 /nfs/dbraw/zinc/54/61/07/522546107.db2.gz RRTPAWWQZOHPGF-ZDUSSCGKSA-N 1 0 281.831 2.460 10 0 CEAERO CC[C@H]([NH2+]C)c1c(C)nn(Cc2cnn(CC)c2)c1C ZINC000054718668 522556276 /nfs/dbraw/zinc/55/62/76/522556276.db2.gz IUOXEIKWMIEQTC-AWEZNQCLSA-N 1 0 275.400 2.435 10 0 CEAERO CNc1ccc(C)cc1C(=O)NCCCC[NH+](C)C ZINC000053003836 522603986 /nfs/dbraw/zinc/60/39/86/522603986.db2.gz XUBDULVFIVQTDV-UHFFFAOYSA-N 1 0 263.385 2.108 10 0 CEAERO CNc1ccc(C)cc1C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000053002839 522604581 /nfs/dbraw/zinc/60/45/81/522604581.db2.gz KHDSHYIETLABGY-CQSZACIVSA-N 1 0 289.423 2.497 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc(C)c(OCCCC(=O)NC)c(C)c1 ZINC000068820128 522640653 /nfs/dbraw/zinc/64/06/53/522640653.db2.gz GCWIMQAGNVNFCX-OAHLLOKOSA-N 1 0 292.423 2.488 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccc(OCCC(=O)NC(C)C)cc1 ZINC000054048909 522642639 /nfs/dbraw/zinc/64/26/39/522642639.db2.gz RPGOXCQLTLWVPN-CQSZACIVSA-N 1 0 278.396 2.260 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccnc(Cc2cccc(OC)c2)n1 ZINC000054834993 522645313 /nfs/dbraw/zinc/64/53/13/522645313.db2.gz 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523826259 /nfs/dbraw/zinc/82/62/59/523826259.db2.gz CMLGAXLZHFBWBB-UHFFFAOYSA-N 1 0 250.317 2.321 10 0 CEAERO COc1ccc(C)cc1[C@H](O)C[NH2+]CCCSC ZINC000069446458 523860386 /nfs/dbraw/zinc/86/03/86/523860386.db2.gz RDUPNSDJOKSFAH-CYBMUJFWSA-N 1 0 269.410 2.380 10 0 CEAERO CN(C(=O)Nc1cccc(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000226459591 523887989 /nfs/dbraw/zinc/88/79/89/523887989.db2.gz QDRKDAQJKSEXHT-ZDUSSCGKSA-N 1 0 265.332 2.432 10 0 CEAERO COC(=O)[C@H](CC[N@H+](C)[C@@H]1CCC[C@@H](C)C1)NC1CC1 ZINC000062459880 523898796 /nfs/dbraw/zinc/89/87/96/523898796.db2.gz JKQQPLVIDKNSKI-YUELXQCFSA-N 1 0 282.428 2.181 10 0 CEAERO COCC[NH2+]C[C@@H](CCOC)Cc1ccc(C)cc1 ZINC000054666679 523939967 /nfs/dbraw/zinc/93/99/67/523939967.db2.gz SAXNVJDSJFRCDM-INIZCTEOSA-N 1 0 265.397 2.426 10 0 CEAERO COCC[NH2+]C[C@@]1(Cc2ccccc2F)CCOC1 ZINC000054666261 523942539 /nfs/dbraw/zinc/94/25/39/523942539.db2.gz GGDWVCSXULVGES-HNNXBMFYSA-N 1 0 267.344 2.011 10 0 CEAERO COCC[NH2+]C[C@H]1C[C@H]1c1cc(OC)c(OC)c(OC)c1 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CC[C@H](C)[NH+]1CCN(c2nc3ccccn3c2C=O)CC1 ZINC000055067528 523961454 /nfs/dbraw/zinc/96/14/54/523961454.db2.gz KAXHEVWIUWXNDC-ZDUSSCGKSA-N 1 0 286.379 2.067 10 0 CEAERO COC(=O)[C@](C)(C[C@@H](C)[N@H+](C)C1CCCC1)NC1CC1 ZINC000068623535 524000303 /nfs/dbraw/zinc/00/03/03/524000303.db2.gz HFZPRYRVLORVDP-WBMJQRKESA-N 1 0 282.428 2.323 10 0 CEAERO COC(=O)[C@](C)(C[C@H](C)[N@H+](CC1CC1)C1CC1)NC1CC1 ZINC000068648309 524000443 /nfs/dbraw/zinc/00/04/43/524000443.db2.gz XWALDXYGTLORKZ-SJCJKPOMSA-N 1 0 294.439 2.323 10 0 CEAERO COC(=O)[C@](C)([NH3+])C[C@H](C)Sc1nc2ccccc2[nH]1 ZINC000068635350 524002042 /nfs/dbraw/zinc/00/20/42/524002042.db2.gz BGZPOJGRZPWONJ-LKFCYVNXSA-N 1 0 293.392 2.324 10 0 CEAERO COC(=O)[C@](C[N@H+](C)[C@@H](C)C(C)C)(NC(C)C)C1CC1 ZINC000069099633 524003323 /nfs/dbraw/zinc/00/33/23/524003323.db2.gz QYHRCNJELZGBFO-XJKSGUPXSA-N 1 0 284.444 2.283 10 0 CEAERO CC[C@H](C)[NH2+]CC(=O)Nc1nc2c(s1)CCCC2 ZINC000049559586 524003875 /nfs/dbraw/zinc/00/38/75/524003875.db2.gz 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/nfs/dbraw/zinc/06/90/20/524069020.db2.gz XSZKMTSPDXAXHL-CYBMUJFWSA-N 1 0 293.363 2.278 10 0 CEAERO COc1ccc(C[NH2+][C@@H](CN(C)C)C(C)C)cc1O ZINC000049195200 524083921 /nfs/dbraw/zinc/08/39/21/524083921.db2.gz PFMZYVWEWHGAON-ZDUSSCGKSA-N 1 0 266.385 2.077 10 0 CEAERO C[C@@H](C(=O)N(C)[C@@H](C)c1ccc(F)cc1)C1C[NH2+]C1 ZINC000164178230 524086927 /nfs/dbraw/zinc/08/69/27/524086927.db2.gz RSZJAFNPNQOIMS-MNOVXSKESA-N 1 0 264.344 2.201 10 0 CEAERO Cc1cc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)on1 ZINC000052852923 524124485 /nfs/dbraw/zinc/12/44/85/524124485.db2.gz AQNSKRLCJWQINU-ZDUSSCGKSA-N 1 0 273.336 2.016 10 0 CEAERO C[C@H]1CCCN1c1ncc(Br)cc1C[NH3+] ZINC000051396093 524125377 /nfs/dbraw/zinc/12/53/77/524125377.db2.gz KDFUMKVVGAQUSK-QMMMGPOBSA-N 1 0 270.174 2.292 10 0 CEAERO C[C@@H]1CCCC[C@@H]1[N@H+](C)CC[C@H]([NH2+]C1CC1)C(=O)[O-] ZINC000062522666 524130790 /nfs/dbraw/zinc/13/07/90/524130790.db2.gz SFZGFPQQPHZODJ-XBFCOCLRSA-N 1 0 268.401 2.092 10 0 CEAERO C[C@H](CC[NH+](C)C)N[C@@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000049553680 524168460 /nfs/dbraw/zinc/16/84/60/524168460.db2.gz UKKJRTPWPIPLEA-NEPJUHHUSA-N 1 0 291.395 2.008 10 0 CEAERO C[C@H](CC[NH+](C)C)Nc1ccc(C(N)=S)cc1F ZINC000049560164 524170596 /nfs/dbraw/zinc/17/05/96/524170596.db2.gz PLANGSKYFOMFIO-SECBINFHSA-N 1 0 269.389 2.212 10 0 CEAERO C[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H](CC[NH3+])C2)C1 ZINC000055145416 524204697 /nfs/dbraw/zinc/20/46/97/524204697.db2.gz QDSOWEUBEOEPIF-MCIONIFRSA-N 1 0 252.402 2.400 10 0 CEAERO Cc1cccc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1O ZINC000049560328 524211069 /nfs/dbraw/zinc/21/10/69/524211069.db2.gz ZXCDYJQLYUTVHC-CYBMUJFWSA-N 1 0 278.396 2.407 10 0 CEAERO C[C@H]1CCC[C@](CNCc2ccncn2)([NH+](C)C)C1 ZINC000054789757 524223988 /nfs/dbraw/zinc/22/39/88/524223988.db2.gz WBDLXKKZQIRYOY-ZFWWWQNUSA-N 1 0 262.401 2.077 10 0 CEAERO COc1ccc(Cl)cc1NC(=O)c1cc[nH+]c(NN)c1 ZINC000051092172 524241887 /nfs/dbraw/zinc/24/18/87/524241887.db2.gz LORRQSYVEVTVBI-UHFFFAOYSA-N 1 0 292.726 2.282 10 0 CEAERO Cc1cccc(C)c1-n1nnnc1C[NH2+]CC(C)C ZINC000054744579 524246059 /nfs/dbraw/zinc/24/60/59/524246059.db2.gz YOUHNCYBOGKRMF-UHFFFAOYSA-N 1 0 259.357 2.025 10 0 CEAERO C[C@@H]1CCCN(c2nc3sccn3c2C[NH3+])[C@@H]1C ZINC000050566069 524250382 /nfs/dbraw/zinc/25/03/82/524250382.db2.gz IPSKHDUYTJUGEJ-NXEZZACHSA-N 1 0 264.398 2.479 10 0 CEAERO C[C@H](CCc1ccco1)[NH2+]C[C@H](O)COC(C)(C)C ZINC000049566441 524260836 /nfs/dbraw/zinc/26/08/36/524260836.db2.gz AFCCYRHHTMOQBJ-OLZOCXBDSA-N 1 0 269.385 2.366 10 0 CEAERO COc1ccccc1-c1noc([C@@]2(C)CCC[NH2+]C2)n1 ZINC000062872010 524296134 /nfs/dbraw/zinc/29/61/34/524296134.db2.gz NPWARFVDAJESEA-HNNXBMFYSA-N 1 0 273.336 2.386 10 0 CEAERO C[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C[C@@H]1[NH3+] ZINC000070148251 524304721 /nfs/dbraw/zinc/30/47/21/524304721.db2.gz QOUUBDSLEPZFPN-WPRPVWTQSA-N 1 0 259.275 2.274 10 0 CEAERO C[C@H](C[NH+]1CCCC1)NC(=O)c1ccc(Cl)cc1N ZINC000049149112 524315567 /nfs/dbraw/zinc/31/55/67/524315567.db2.gz TULHUCIFLKNNLJ-SNVBAGLBSA-N 1 0 281.787 2.136 10 0 CEAERO C[C@@H]1CCC[C@](C[NH3+])(NC(=O)CC[C@@H]2CCCCO2)C1 ZINC000069405696 524428594 /nfs/dbraw/zinc/42/85/94/524428594.db2.gz UZIWMNOHIOWDAP-YCPHGPKFSA-N 1 0 282.428 2.360 10 0 CEAERO C[C@@H]1CCC[C@](CNCc2ccncn2)([NH+](C)C)C1 ZINC000054789756 524431004 /nfs/dbraw/zinc/43/10/04/524431004.db2.gz WBDLXKKZQIRYOY-HIFRSBDPSA-N 1 0 262.401 2.077 10 0 CEAERO Cc1cc(C)cc(S(=O)(=O)N2[C@@H](C[NH3+])CCC[C@@H]2C)c1 ZINC000070154083 524457904 /nfs/dbraw/zinc/45/79/04/524457904.db2.gz VOAMLRJJYSXTBD-UONOGXRCSA-N 1 0 296.436 2.194 10 0 CEAERO C[C@@H](CC[NH+](C)C)N[C@@H]1CC(=O)N(C)c2ccccc21 ZINC000049554358 524478697 /nfs/dbraw/zinc/47/86/97/524478697.db2.gz YPKAHHRCKSKPET-GXTWGEPZSA-N 1 0 275.396 2.024 10 0 CEAERO COc1ccc(NC(=O)CC[C@@H]2CCCC[NH2+]2)cc1O ZINC000050944834 524482827 /nfs/dbraw/zinc/48/28/27/524482827.db2.gz IAGPSAUHNOEZQR-NSHDSACASA-N 1 0 278.352 2.262 10 0 CEAERO C[C@@H]1CCN(Cc2cc(-c3ccco3)on2)C[C@@H]1[NH3+] ZINC000070146980 524510724 /nfs/dbraw/zinc/51/07/24/524510724.db2.gz LWTQLUNZWPLHOE-PWSUYJOCSA-N 1 0 261.325 2.104 10 0 CEAERO Cc1cccc(N)c1C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000049500444 524527819 /nfs/dbraw/zinc/52/78/19/524527819.db2.gz SOIPGRXAUMWTRU-ZDUSSCGKSA-N 1 0 275.396 2.181 10 0 CEAERO C[C@@H](CCc1ccco1)[NH2+]C[C@H](O)COC(C)(C)C ZINC000049566440 524544834 /nfs/dbraw/zinc/54/48/34/524544834.db2.gz AFCCYRHHTMOQBJ-STQMWFEESA-N 1 0 269.385 2.366 10 0 CEAERO Cc1cccc(N2CCN(C[C@H]([NH3+])C3CC3)CC2)c1C ZINC000069073796 524557479 /nfs/dbraw/zinc/55/74/79/524557479.db2.gz XIUUGOLWKJQKPC-INIZCTEOSA-N 1 0 273.424 2.163 10 0 CEAERO COc1ccccc1N1CCN([C@H](C)C[NH2+]C(C)C)CC1 ZINC000052422912 524562862 /nfs/dbraw/zinc/56/28/62/524562862.db2.gz PVQICVDFWYLEQD-OAHLLOKOSA-N 1 0 291.439 2.204 10 0 CEAERO Cc1ccc(CNC(=O)c2c[nH+]c(NN)c(Cl)c2)cc1 ZINC000051112665 524566708 /nfs/dbraw/zinc/56/67/08/524566708.db2.gz OVBQFRZYFNIUSE-UHFFFAOYSA-N 1 0 290.754 2.259 10 0 CEAERO C[C@@H]1CC[C@@H](C[NH3+])CN1c1ccc(C(N)=O)cc1Cl ZINC000070183383 524590263 /nfs/dbraw/zinc/59/02/63/524590263.db2.gz AUHPBKKCVXWJON-ZJUUUORDSA-N 1 0 281.787 2.003 10 0 CEAERO Cc1cccc(NC(=O)C[NH2+][C@@H](CC(C)C)CN(C)C)c1 ZINC000049556012 524597379 /nfs/dbraw/zinc/59/73/79/524597379.db2.gz RDOXIEGCGWBVJZ-INIZCTEOSA-N 1 0 291.439 2.499 10 0 CEAERO C[C@@H]1CC[C@H](CNC(=O)c2cc(F)ccc2F)C[NH2+]1 ZINC000062036946 524678831 /nfs/dbraw/zinc/67/88/31/524678831.db2.gz IRFVKXYSIAVYHD-ZJUUUORDSA-N 1 0 268.307 2.083 10 0 CEAERO COc1ccccc1O[C@H](C)C[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000068656620 524692042 /nfs/dbraw/zinc/69/20/42/524692042.db2.gz ACVYOLACYONBGH-MLGOLLRUSA-N 1 0 294.395 2.095 10 0 CEAERO Cc1cc(CN2CCN(C)CC2)oc1C[NH2+]C(C)(C)C ZINC000052379650 524693987 /nfs/dbraw/zinc/69/39/87/524693987.db2.gz YUXXXJNEGYFYER-UHFFFAOYSA-N 1 0 279.428 2.224 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C)N1C(=O)c1cc(Cl)cn1C1CC1 ZINC000069133446 524696353 /nfs/dbraw/zinc/69/63/53/524696353.db2.gz AHFDNDUGMFJDPB-UWVGGRQHSA-N 1 0 281.787 2.299 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C)N1C(=O)c1cc2c(s1)CCC2 ZINC000069133374 524697562 /nfs/dbraw/zinc/69/75/62/524697562.db2.gz LIVLCDYQBRBDLQ-UWVGGRQHSA-N 1 0 264.394 2.059 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C)N1C(=O)CCCc1cccs1 ZINC000069133042 524697646 /nfs/dbraw/zinc/69/76/46/524697646.db2.gz LHALWQDNDSMSEB-RYUDHWBXSA-N 1 0 266.410 2.280 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C)N1C(=O)c1ccccc1Cl ZINC000069132838 524699615 /nfs/dbraw/zinc/69/96/15/524699615.db2.gz QERIZNRIJNKLFR-UWVGGRQHSA-N 1 0 252.745 2.162 10 0 CEAERO Cc1cccc(OCCC(=O)N2C[C@H](C[NH3+])CC[C@@H]2C)c1 ZINC000070179712 524725386 /nfs/dbraw/zinc/72/53/86/524725386.db2.gz YEWGJTSOUCNWAG-GJZGRUSLSA-N 1 0 290.407 2.350 10 0 CEAERO C[C@@H]1CN(C(=O)C(C)(C)c2ccccc2)[C@@H](C)C[NH2+]1 ZINC000062656413 524756419 /nfs/dbraw/zinc/75/64/19/524756419.db2.gz MQZIKUHXLIUSFJ-OLZOCXBDSA-N 1 0 260.381 2.173 10 0 CEAERO Cc1ccc(F)c(C(=O)NC[C@H](C(C)C)[NH+](C)C)c1 ZINC000053009432 524792989 /nfs/dbraw/zinc/79/29/89/524792989.db2.gz DCFJKTPYJCKKLM-CQSZACIVSA-N 1 0 266.360 2.450 10 0 CEAERO Cc1cc(C[C@H](C)[NH3+])nc(Cc2ccccc2F)n1 ZINC000054835118 524829162 /nfs/dbraw/zinc/82/91/62/524829162.db2.gz HYNPHQJMSGKZBG-JTQLQIEISA-N 1 0 259.328 2.405 10 0 CEAERO C[C@H]([NH3+])Cc1noc([C@@H]2CCCc3ccccc32)n1 ZINC000054669701 524836132 /nfs/dbraw/zinc/83/61/32/524836132.db2.gz STAFWZALSPDVKX-GXFFZTMASA-N 1 0 257.337 2.428 10 0 CEAERO C[C@@H](C[C@](C)([NH3+])C(=O)[O-])[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000068641717 524860072 /nfs/dbraw/zinc/86/00/72/524860072.db2.gz BKVNPIILZCFOCT-NOLJZWGESA-N 1 0 276.380 2.057 10 0 CEAERO C[C@H]([NH3+])c1ccc(Sc2n[nH]c(=O)n2C2CC2)cc1 ZINC000061595881 524865864 /nfs/dbraw/zinc/86/58/64/524865864.db2.gz WTHVMIPSESJVGY-QMMMGPOBSA-N 1 0 276.365 2.077 10 0 CEAERO Cc1ccc(F)cc1NS(=O)(=O)C[C@@H]1CCCC[NH2+]1 ZINC000049630852 524870472 /nfs/dbraw/zinc/87/04/72/524870472.db2.gz CIGZVQDYWZKIEE-LBPRGKRZSA-N 1 0 286.372 2.018 10 0 CEAERO C[C@H]([NH3+])c1noc(COc2cccc(Cl)c2)n1 ZINC000051018740 524871904 /nfs/dbraw/zinc/87/19/04/524871904.db2.gz ULHABLGKTPWNOW-ZETCQYMHSA-N 1 0 253.689 2.322 10 0 CEAERO Cc1cc(Cn2ccc(C(F)(F)F)n2)oc1C[NH3+] ZINC000052592549 524922709 /nfs/dbraw/zinc/92/27/09/524922709.db2.gz FJWSSCISCLZZCL-UHFFFAOYSA-N 1 0 259.231 2.310 10 0 CEAERO C[C@@H](Cc1ccco1)NC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050944230 524925254 /nfs/dbraw/zinc/92/52/54/524925254.db2.gz JWJBJKKUOPHSAJ-STQMWFEESA-N 1 0 264.369 2.249 10 0 CEAERO C[C@@H]1CN(CC(F)(F)F)[C@H](Cc2ccccc2)C[NH2+]1 ZINC000062666207 524934283 /nfs/dbraw/zinc/93/42/83/524934283.db2.gz KTCZKFRCFMAHSO-DGCLKSJQSA-N 1 0 272.314 2.454 10 0 CEAERO COc1nc2sccn2c1C[NH2+][C@H](CN(C)C)C(C)C ZINC000049198469 524992353 /nfs/dbraw/zinc/99/23/53/524992353.db2.gz MGOZJSBZBLYVFP-LLVKDONJSA-N 1 0 296.440 2.080 10 0 CEAERO C[C@@H]([NH3+])Cc1cnc(Cc2cc(F)cc(F)c2)nc1 ZINC000054857784 525000856 /nfs/dbraw/zinc/00/08/56/525000856.db2.gz VVRRRJVXAMPIIX-SECBINFHSA-N 1 0 263.291 2.235 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1cccnc1)n1ncc2ccccc21 ZINC000050524462 525005957 /nfs/dbraw/zinc/00/59/57/525005957.db2.gz NHZMSJOZEKWITR-ABAIWWIYSA-N 1 0 252.321 2.368 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1cccnc1)N1Cc2ccccc2C1 ZINC000050910435 525018096 /nfs/dbraw/zinc/01/80/96/525018096.db2.gz QSVKXDKGQPVQRO-MLGOLLRUSA-N 1 0 253.349 2.486 10 0 CEAERO COc1ncccc1-c1nnc(CC[NH2+]C(C)(C)C)o1 ZINC000061446942 525031349 /nfs/dbraw/zinc/03/13/49/525031349.db2.gz XEUKBXUQWZZPFZ-UHFFFAOYSA-N 1 0 276.340 2.071 10 0 CEAERO Cc1cc(N)c[nH+]c1NCCc1ccc2c(c1)OCCO2 ZINC000052812318 525039716 /nfs/dbraw/zinc/03/97/16/525039716.db2.gz IUIDFALBBWGSDE-UHFFFAOYSA-N 1 0 285.347 2.398 10 0 CEAERO C[C@@H]1CN([C@@H](C[NH3+])c2cccc3cccnc32)C[C@H](C)O1 ZINC000069502188 525055645 /nfs/dbraw/zinc/05/56/45/525055645.db2.gz PQMICXSTELCUNF-ZENOOKHLSA-N 1 0 285.391 2.344 10 0 CEAERO C[C@@H]1CN(c2cc(Cl)ccc2C[NH3+])C[C@@H](C)O1 ZINC000062786722 525062133 /nfs/dbraw/zinc/06/21/33/525062133.db2.gz PMLDYQZNMUPUTR-NXEZZACHSA-N 1 0 254.761 2.412 10 0 CEAERO C[C@@H](NC(=O)CCC1CC[NH2+]CC1)c1ccco1 ZINC000050942215 525084237 /nfs/dbraw/zinc/08/42/37/525084237.db2.gz YHTOINNOMMCSCI-LLVKDONJSA-N 1 0 250.342 2.237 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C)N1C(=O)c1cccc(OC(F)F)c1 ZINC000069133107 525097593 /nfs/dbraw/zinc/09/75/93/525097593.db2.gz FDVBUDFVLORKKT-NXEZZACHSA-N 1 0 284.306 2.110 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H](C)N1CCSc1ccccc1 ZINC000069134405 525097753 /nfs/dbraw/zinc/09/77/53/525097753.db2.gz UHUWFDWVCNWLPD-CHWSQXEVSA-N 1 0 250.411 2.461 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H](C)N1C(=O)c1ccccc1Br ZINC000069132595 525101446 /nfs/dbraw/zinc/10/14/46/525101446.db2.gz QIVHCDGOUQKJSN-AOOOYVTPSA-N 1 0 297.196 2.272 10 0 CEAERO C[C@](CCC[N@@H+]1CCCC(C)(C)C1)([NH2+]C1CC1)C(=O)[O-] ZINC000069516430 525136802 /nfs/dbraw/zinc/13/68/02/525136802.db2.gz ULCVQPYSYOMKJZ-MRXNPFEDSA-N 1 0 282.428 2.484 10 0 CEAERO C[C@]([NH3+])(c1nncn1-c1ccccc1)c1ccccc1 ZINC000054526703 525149754 /nfs/dbraw/zinc/14/97/54/525149754.db2.gz FLGMPWFWPPIEBD-MRXNPFEDSA-N 1 0 264.332 2.490 10 0 CEAERO COc1ccc([C@@H]([NH3+])Cc2ccncc2)cc1OC ZINC000055229130 525189137 /nfs/dbraw/zinc/18/91/37/525189137.db2.gz SXAJEEDIEMYUPU-ZDUSSCGKSA-N 1 0 258.321 2.341 10 0 CEAERO C[C@]1(C(=O)N2CCC[C@@H]2Cc2ccccc2)CC[NH2+]C1 ZINC000062894865 525191267 /nfs/dbraw/zinc/19/12/67/525191267.db2.gz GJYQUEPVBPIMPZ-WBVHZDCISA-N 1 0 272.392 2.220 10 0 CEAERO C[C@]1(C(=O)N[C@@H](c2ccco2)c2ccccc2)CC[NH2+]C1 ZINC000062893069 525213191 /nfs/dbraw/zinc/21/31/91/525213191.db2.gz JSFOUEVZAOHYRC-WBVHZDCISA-N 1 0 284.359 2.485 10 0 CEAERO Cc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1CCCO ZINC000052762132 525235412 /nfs/dbraw/zinc/23/54/12/525235412.db2.gz JIDDCYOUWCGFOZ-AWEZNQCLSA-N 1 0 276.380 2.170 10 0 CEAERO Cc1cc(NC(=O)[C@H]2[NH2+]CCC[C@H]2C)ccc1F ZINC000061120318 525238324 /nfs/dbraw/zinc/23/83/24/525238324.db2.gz RACNWKOYTHWSEX-RNCFNFMXSA-N 1 0 250.317 2.461 10 0 CEAERO Cc1ccc(NC(=O)c2ccc(NN)[nH+]c2)cc1C ZINC000051093422 525240634 /nfs/dbraw/zinc/24/06/34/525240634.db2.gz WTJLTWJIVNQKIF-UHFFFAOYSA-N 1 0 256.309 2.236 10 0 CEAERO CS(=O)(=O)c1cccc(Oc2cccc(CC[NH3+])c2)c1 ZINC000069333393 525272986 /nfs/dbraw/zinc/27/29/86/525272986.db2.gz USAOUENMHDFXMO-UHFFFAOYSA-N 1 0 291.372 2.384 10 0 CEAERO Cc1ccc(NS(=O)(=O)CCC[NH2+]C(C)C)cc1C ZINC000049641557 525294118 /nfs/dbraw/zinc/29/41/18/525294118.db2.gz CZHZUBLHCHKYHU-UHFFFAOYSA-N 1 0 284.425 2.433 10 0 CEAERO C[C@]1(c2ccccc2)C[NH2+]CCN1CCCn1ccnc1 ZINC000068696520 525333000 /nfs/dbraw/zinc/33/30/00/525333000.db2.gz CBJQWQRSTOQNSM-QGZVFWFLSA-N 1 0 284.407 2.094 10 0 CEAERO C[C@H]([NH2+]CCN1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCCO1 ZINC000053344494 525355286 /nfs/dbraw/zinc/35/52/86/525355286.db2.gz FKFCXKQMSNAWQX-KBXIAJHMSA-N 1 0 254.418 2.121 10 0 CEAERO COc1ccc([C@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1OC ZINC000054686188 525378965 /nfs/dbraw/zinc/37/89/65/525378965.db2.gz ZJTDBDAAYIRSTJ-YOEHRIQHSA-N 1 0 287.359 2.307 10 0 CEAERO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1F)[C@@H]1CCCO1 ZINC000183093526 525410750 /nfs/dbraw/zinc/41/07/50/525410750.db2.gz ZSLTYKDPWCDRIL-RNCFNFMXSA-N 1 0 284.306 2.060 10 0 CEAERO Cc1ccccc1[C@H](O)CC[N@H+]1CCC[C@@H]1CN(C)C ZINC000061654011 525431840 /nfs/dbraw/zinc/43/18/40/525431840.db2.gz MOXXXAITXKARLV-NVXWUHKLSA-N 1 0 276.424 2.445 10 0 CEAERO Cc1ccc(OCc2cc(C[NH2+]C(C)C)no2)cn1 ZINC000052596135 525444004 /nfs/dbraw/zinc/44/40/04/525444004.db2.gz VKCOKUDPEDQNPS-UHFFFAOYSA-N 1 0 261.325 2.455 10 0 CEAERO CSCCC[NH2+]CC(=O)Nc1ccc(C)cc1 ZINC000069447136 525476961 /nfs/dbraw/zinc/47/69/61/525476961.db2.gz MJXDYXIWHVKIKM-UHFFFAOYSA-N 1 0 252.383 2.276 10 0 CEAERO Cc1cc([C@@H](C)NC(=O)[C@@H](C)C2C[NH2+]C2)c(C)s1 ZINC000163913938 525453926 /nfs/dbraw/zinc/45/39/26/525453926.db2.gz QBFGWDJCZNMTMR-VHSXEESVSA-N 1 0 266.410 2.398 10 0 CEAERO Cc1cccnc1-c1nnc(CC[NH2+]C(C)(C)C)o1 ZINC000051813821 525476615 /nfs/dbraw/zinc/47/66/15/525476615.db2.gz RUGPMOFMXXFTGH-UHFFFAOYSA-N 1 0 260.341 2.371 10 0 CEAERO CSCCC[NH2+]CC(=O)Nc1c(F)cccc1F ZINC000069447084 525477743 /nfs/dbraw/zinc/47/77/43/525477743.db2.gz LRWXLSUXZHXLPW-UHFFFAOYSA-N 1 0 274.336 2.246 10 0 CEAERO C[C@H](NS(=O)(=O)c1ccccc1C[NH3+])C1CCCCC1 ZINC000052341341 525511684 /nfs/dbraw/zinc/51/16/84/525511684.db2.gz SCVCCCRMVDVCEM-LBPRGKRZSA-N 1 0 296.436 2.392 10 0 CEAERO Cc1cc([C@H](C[NH3+])N2C[C@@H](C)O[C@@H](C)C2)ccc1F ZINC000050545818 525536157 /nfs/dbraw/zinc/53/61/57/525536157.db2.gz LBKLBLKGKJCTPE-ZOWXZIJZSA-N 1 0 266.360 2.243 10 0 CEAERO Cc1ccn(-c2ccc(C(F)(F)F)cc2C(N)=[NH2+])n1 ZINC000052884337 525557007 /nfs/dbraw/zinc/55/70/07/525557007.db2.gz KATDWDWAYVHPPI-UHFFFAOYSA-N 1 0 268.242 2.484 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCCS(=O)(=O)C1)c1ccc(F)cc1 ZINC000069135322 525557429 /nfs/dbraw/zinc/55/74/29/525557429.db2.gz AQNZNNQLDUHEBA-GXFFZTMASA-N 1 0 271.357 2.054 10 0 CEAERO C[C@@H](NS(=O)(=O)c1ccc(C[NH3+])cc1)C1CCCCC1 ZINC000052341346 525574255 /nfs/dbraw/zinc/57/42/55/525574255.db2.gz VDFVBUJNXIVUFS-GFCCVEGCSA-N 1 0 296.436 2.392 10 0 CEAERO C[C@H]([NH2+][C@@H]1CN2CCC1CC2)c1nc2ccccc2[nH]1 ZINC000054376177 525584995 /nfs/dbraw/zinc/58/49/95/525584995.db2.gz SRLGYJISLVQNON-XHDPSFHLSA-N 1 0 270.380 2.308 10 0 CEAERO CSC[C@@H](C)C[NH2+]C[C@H](O)c1ccccc1F ZINC000069448030 525622063 /nfs/dbraw/zinc/62/20/63/525622063.db2.gz NYOTYSPMOHVKJQ-GWCFXTLKSA-N 1 0 257.374 2.448 10 0 CEAERO C[C@@H]1[C@@H](C)CCCN1C(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000050565516 525635051 /nfs/dbraw/zinc/63/50/51/525635051.db2.gz GQDLAYJLHBYHGQ-ZENOOKHLSA-N 1 0 272.392 2.348 10 0 CEAERO CSC[C@H](C)C[NH2+][C@@H](C)C(=O)NC1CCCC1 ZINC000069447752 525682325 /nfs/dbraw/zinc/68/23/25/525682325.db2.gz JJNCJKMMNSVZQX-MNOVXSKESA-N 1 0 258.431 2.022 10 0 CEAERO Cc1cc2ncnn2c(N2CCCC[C@@H]2C[NH2+]C(C)C)c1 ZINC000053699436 525686650 /nfs/dbraw/zinc/68/66/50/525686650.db2.gz FSSGMDCXONBPLK-CQSZACIVSA-N 1 0 287.411 2.395 10 0 CEAERO C[C@@H]1c2ccsc2CCN1Cc1cc(C[NH3+])no1 ZINC000052505470 525736025 /nfs/dbraw/zinc/73/60/25/525736025.db2.gz YDDYNEXSDBQCHT-SECBINFHSA-N 1 0 263.366 2.314 10 0 CEAERO C[C@@H]1c2ccsc2CC[N@H+]1CCn1cc(N)cn1 ZINC000050614897 525736209 /nfs/dbraw/zinc/73/62/09/525736209.db2.gz RDPTUBZQSSECSR-SNVBAGLBSA-N 1 0 262.382 2.146 10 0 CEAERO C[C@@]([NH3+])(C(=O)NCc1cccc(F)c1)c1ccccc1 ZINC000052881370 525746588 /nfs/dbraw/zinc/74/65/88/525746588.db2.gz XXMBXXRDBYENQE-INIZCTEOSA-N 1 0 272.323 2.316 10 0 CEAERO C[C@@]([NH3+])(CCCC[NH+]1CCC(C)(C)CC1)C(=O)[O-] ZINC000061821951 525748564 /nfs/dbraw/zinc/74/85/64/525748564.db2.gz IOYGAJKHJLRUSE-CQSZACIVSA-N 1 0 256.390 2.081 10 0 CEAERO COc1cccc(C(=O)N[C@H]2CCCCC[C@H]2[NH3+])c1OC ZINC000063211766 525829854 /nfs/dbraw/zinc/82/98/54/525829854.db2.gz HOLQZFPIETYGPK-OLZOCXBDSA-N 1 0 292.379 2.094 10 0 CEAERO C[C@@H](O)c1cc(F)ccc1N1CCC[C@@H]1C[NH+](C)C ZINC000061645477 525863666 /nfs/dbraw/zinc/86/36/66/525863666.db2.gz JBJDIKDSJYJYLO-DGCLKSJQSA-N 1 0 266.360 2.409 10 0 CEAERO C[C@@]1(c2ccccc2)CN(Cc2cccnc2)CC[NH2+]1 ZINC000068693701 525900920 /nfs/dbraw/zinc/90/09/20/525900920.db2.gz NDPNCWBFRTYAJY-KRWDZBQOSA-N 1 0 267.376 2.402 10 0 CEAERO Cc1ccc([C@H](C)n2nnnc2C[NH2+]CC(C)C)s1 ZINC000054748102 525951106 /nfs/dbraw/zinc/95/11/06/525951106.db2.gz CTPNEXZJPNGVMN-NSHDSACASA-N 1 0 279.413 2.398 10 0 CEAERO C[C@@H](Oc1ccccc1C[NH2+]C(C)(C)C)C(=O)N(C)C ZINC000062729226 525958456 /nfs/dbraw/zinc/95/84/56/525958456.db2.gz CHNYFNJLHOSSQV-GFCCVEGCSA-N 1 0 278.396 2.430 10 0 CEAERO Cc1cnc(C)c(N2CCC[C@H]2C[NH2+]C(C)(C)C)n1 ZINC000053695568 525984283 /nfs/dbraw/zinc/98/42/83/525984283.db2.gz QWXMPZXBBTYGEZ-ZDUSSCGKSA-N 1 0 262.401 2.450 10 0 CEAERO Cc1cnc(CNC2=[NH+][C@@H](CC(C)C)CS2)cn1 ZINC000061322105 526038419 /nfs/dbraw/zinc/03/84/19/526038419.db2.gz ZXAIDRNYCXVGQC-NSHDSACASA-N 1 0 264.398 2.392 10 0 CEAERO CC(C)(C)OC(=O)N[C@H]1CC[C@H](C[NH+]2CCOCC2)CC1 ZINC000255188805 534905824 /nfs/dbraw/zinc/90/58/24/534905824.db2.gz LTNDIFQDFIATFF-HDJSIYSDSA-N 1 0 298.427 2.402 10 0 CEAERO Cc1ccc2c(CN3[C@H](C)C[NH2+]C[C@H]3C)cc(=O)oc2c1 ZINC000069134915 526128151 /nfs/dbraw/zinc/12/81/51/526128151.db2.gz CCTJOLGNNIKYOM-CHWSQXEVSA-N 1 0 286.375 2.284 10 0 CEAERO C[C@H](C(=O)Nc1ccc(C[NH3+])cc1)n1ccc(C2CC2)n1 ZINC000070327547 526136328 /nfs/dbraw/zinc/13/63/28/526136328.db2.gz NYWMAZQMLBMEJI-LLVKDONJSA-N 1 0 284.363 2.419 10 0 CEAERO C[C@H](C(=O)Nc1cccc2ncccc21)C1C[NH2+]C1 ZINC000163813545 526160517 /nfs/dbraw/zinc/16/05/17/526160517.db2.gz FHXQCDGANDLJRT-JTQLQIEISA-N 1 0 255.321 2.029 10 0 CEAERO C[C@H](c1ccsc1)n1nnnc1C[NH2+]C(C)(C)C ZINC000061367365 526162373 /nfs/dbraw/zinc/16/23/73/526162373.db2.gz ILHCGFFUOQRWSJ-SECBINFHSA-N 1 0 265.386 2.232 10 0 CEAERO COc1cccc(NC(=O)COCC[C@H]2CCCC[NH2+]2)c1 ZINC000051862063 526176435 /nfs/dbraw/zinc/17/64/35/526176435.db2.gz ONSNMHAAQFINPA-CYBMUJFWSA-N 1 0 292.379 2.183 10 0 CEAERO C[C@H](C1CC1)N(C)Cc1[nH+]c(NN)ccc1Cl ZINC000061630958 526204757 /nfs/dbraw/zinc/20/47/57/526204757.db2.gz QCERDAOQDDHQJA-MRVPVSSYSA-N 1 0 254.765 2.251 10 0 CEAERO COc1cccc(OC)c1O[C@H](C)C[NH2+]C1CC1 ZINC000052650099 526225391 /nfs/dbraw/zinc/22/53/91/526225391.db2.gz NSIUFBWZOLVJGV-SNVBAGLBSA-N 1 0 251.326 2.223 10 0 CEAERO COc1cccc(OCCC[C@](C)([NH2+]C(C)C)C(N)=O)c1 ZINC000045513015 526231642 /nfs/dbraw/zinc/23/16/42/526231642.db2.gz ZJFAAUBNWRSJOI-INIZCTEOSA-N 1 0 294.395 2.096 10 0 CEAERO Cc1ccc(C(C)C)c(OC[C@]([NH3+])(C(N)=O)C2CC2)c1 ZINC000069197187 526248205 /nfs/dbraw/zinc/24/82/05/526248205.db2.gz RDJJOFJQDWLNOV-MRXNPFEDSA-N 1 0 276.380 2.090 10 0 CEAERO Cc1cc(C(=O)N2[C@@H](C[NH3+])CCC[C@@H]2C)c(C)o1 ZINC000070152354 526263141 /nfs/dbraw/zinc/26/31/41/526263141.db2.gz GUAGAQHEZNKZGX-JOYOIKCWSA-N 1 0 250.342 2.238 10 0 CEAERO Cc1nn(C[C@H]2CCCC[NH2+]2)c(C)c1Br ZINC000050593332 526286214 /nfs/dbraw/zinc/28/62/14/526286214.db2.gz QJUFKELYAKWXGB-SNVBAGLBSA-N 1 0 272.190 2.405 10 0 CEAERO Cc1nn([C@@H]2CCC[NH2+]C2)c(C)c1Br ZINC000050593328 526302741 /nfs/dbraw/zinc/30/27/41/526302741.db2.gz ZVIXZWLFUOSBHC-SECBINFHSA-N 1 0 258.163 2.187 10 0 CEAERO Cc1nn([C@@H](C[NH3+])c2ccco2)c(C)c1Br ZINC000050589160 526303013 /nfs/dbraw/zinc/30/30/13/526303013.db2.gz QCFXQKQJVQELAZ-VIFPVBQESA-N 1 0 284.157 2.404 10 0 CEAERO O[C@H]1CCCC[C@H]1[NH2+]Cc1cc2c(c(Cl)c1)OCO2 ZINC000051995510 526305660 /nfs/dbraw/zinc/30/56/60/526305660.db2.gz LVGDKFAUSALCRD-NEPJUHHUSA-N 1 0 283.755 2.462 10 0 CEAERO c1c(CN2CC[NH2+]C3(CCCCC3)C2)nc2ccccn12 ZINC000068693393 526397411 /nfs/dbraw/zinc/39/74/11/526397411.db2.gz GZGWMCZBHMWASN-UHFFFAOYSA-N 1 0 284.407 2.442 10 0 CEAERO c1c2ccccc2oc1-c1noc([C@H]2C[NH2+]CCO2)n1 ZINC000062797156 526402504 /nfs/dbraw/zinc/40/25/04/526402504.db2.gz UKCKQBICQHUODC-GFCCVEGCSA-N 1 0 271.276 2.144 10 0 CEAERO Fc1ccccc1N1CCN([C@H]2CCCC[NH2+]C2)CC1 ZINC000054134808 526412919 /nfs/dbraw/zinc/41/29/19/526412919.db2.gz SPQUVYOVGHYBLD-AWEZNQCLSA-N 1 0 277.387 2.090 10 0 CEAERO c1cc(C[NH2+]C2CC2)c(CN2CCO[C@H]3CCC[C@@H]32)o1 ZINC000052540175 526426336 /nfs/dbraw/zinc/42/63/36/526426336.db2.gz UUTXUWDVRYCAQC-GJZGRUSLSA-N 1 0 276.380 2.285 10 0 CEAERO O=C(OCc1ccccc1F)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000069280548 526428238 /nfs/dbraw/zinc/42/82/38/526428238.db2.gz LLEKISBLGFJFOD-LBPRGKRZSA-N 1 0 291.244 2.411 10 0 CEAERO c1cc2c(s1)CCc1sc(N3CC[NH2+]CC3)nc1-2 ZINC000061326137 526446445 /nfs/dbraw/zinc/44/64/45/526446445.db2.gz NHYVGQKABYSHJM-UHFFFAOYSA-N 1 0 277.418 2.380 10 0 CEAERO c1ccc(-c2noc(CC[C@@H]3CCCC[NH2+]3)n2)nc1 ZINC000050927977 526457569 /nfs/dbraw/zinc/45/75/69/526457569.db2.gz HVJVJYDPRJLOIT-NSHDSACASA-N 1 0 258.325 2.206 10 0 CEAERO c1ccc(C2(c3noc([C@@H]4CC[NH2+]C4)n3)CC2)cc1 ZINC000062780250 526461996 /nfs/dbraw/zinc/46/19/96/526461996.db2.gz LZMFAUMSQGNGKE-LLVKDONJSA-N 1 0 255.321 2.226 10 0 CEAERO CC(C)(C)OC[C@H](O)C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000175802380 526556684 /nfs/dbraw/zinc/55/66/84/526556684.db2.gz LGKIXNLXWZARGD-MGPQQGTHSA-N 1 0 255.402 2.284 10 0 CEAERO O=C(CC[C@H]1CCCC[NH2+]1)Nc1ccccc1CO ZINC000050944818 526565314 /nfs/dbraw/zinc/56/53/14/526565314.db2.gz SJKDJKQWMXCQPV-CYBMUJFWSA-N 1 0 262.353 2.040 10 0 CEAERO O=C(CN1CCC[NH2+]CC1)Nc1ccc2sccc2c1 ZINC000061270526 526746866 /nfs/dbraw/zinc/74/68/66/526746866.db2.gz HQDIJJDZFJZCDI-UHFFFAOYSA-N 1 0 289.404 2.135 10 0 CEAERO Cc1oc(CN2CCOC[C@@H]2C)cc1C[NH2+]C(C)C ZINC000052475809 526771181 /nfs/dbraw/zinc/77/11/81/526771181.db2.gz SWAPBIFGBOJVAO-LBPRGKRZSA-N 1 0 266.385 2.307 10 0 CEAERO Cc1oc(CN2CCOCC2(C)C)cc1C[NH2+]C1CC1 ZINC000052546089 526771669 /nfs/dbraw/zinc/77/16/69/526771669.db2.gz DGHQMKDLJZHKNI-UHFFFAOYSA-N 1 0 278.396 2.451 10 0 CEAERO Cc1oc(C[NH3+])cc1CN1CCO[C@H]2CCCC[C@@H]21 ZINC000052573146 526771798 /nfs/dbraw/zinc/77/17/98/526771798.db2.gz RIKGMLUKQSUFQN-GJZGRUSLSA-N 1 0 264.369 2.190 10 0 CEAERO NC(=[NH2+])c1cc(COCCc2cccs2)ccn1 ZINC000068762677 526819890 /nfs/dbraw/zinc/81/98/90/526819890.db2.gz WDCTUFGNZPTDGG-UHFFFAOYSA-N 1 0 261.350 2.186 10 0 CEAERO NC(=[NH2+])c1cc(OCC(F)(F)F)nc2ccccc21 ZINC000068798177 526820742 /nfs/dbraw/zinc/82/07/42/526820742.db2.gz METLCTJKJZNLAE-UHFFFAOYSA-N 1 0 269.226 2.460 10 0 CEAERO NC(=[NH2+])c1cc(N2CC[C@@H](c3ccccc3)C2)ccn1 ZINC000061814359 526820973 /nfs/dbraw/zinc/82/09/73/526820973.db2.gz WWGRDACNCFZZQC-CYBMUJFWSA-N 1 0 266.348 2.360 10 0 CEAERO NC(=[NH2+])c1cc(N2CCCc3ccccc32)ccn1 ZINC000061814028 526821104 /nfs/dbraw/zinc/82/11/04/526821104.db2.gz HDRDPGMTYDHNLB-UHFFFAOYSA-N 1 0 252.321 2.450 10 0 CEAERO NC(=[NH2+])c1cccnc1-n1cc(-c2ccccc2)cn1 ZINC000054961479 526824378 /nfs/dbraw/zinc/82/43/78/526824378.db2.gz UUBSNYJSNPOGKP-UHFFFAOYSA-N 1 0 263.304 2.218 10 0 CEAERO Cc1ncc(C[NH2+][C@H](Cn2ccnc2)C(C)(C)C)[nH]1 ZINC000054822218 526894171 /nfs/dbraw/zinc/89/41/71/526894171.db2.gz DNGDORMZBNEXAI-CYBMUJFWSA-N 1 0 261.373 2.119 10 0 CEAERO Cc1nc(C[C@@H]2CCCO2)nc(C)c1C[NH2+]C(C)C ZINC000054854304 526919346 /nfs/dbraw/zinc/91/93/46/526919346.db2.gz FBNJRKUNLQWAQE-ZDUSSCGKSA-N 1 0 263.385 2.313 10 0 CEAERO Cc1nc(Cc2ccccc2F)nc(C)c1CC[NH3+] ZINC000054836720 526929150 /nfs/dbraw/zinc/92/91/50/526929150.db2.gz JBGWKUBEBJFFPZ-UHFFFAOYSA-N 1 0 259.328 2.325 10 0 CEAERO O=C(COCC[C@H]1CCC[NH2+]C1)Nc1ccccc1 ZINC000051917673 526930842 /nfs/dbraw/zinc/93/08/42/526930842.db2.gz NHTATQCPNFAOAI-CYBMUJFWSA-N 1 0 262.353 2.031 10 0 CEAERO O=C(COC[C@H]1CCCC[NH2+]1)Nc1cccc(Cl)c1 ZINC000051815877 526935697 /nfs/dbraw/zinc/93/56/97/526935697.db2.gz JFPILILSEMYIGL-CYBMUJFWSA-N 1 0 282.771 2.437 10 0 CEAERO NC(=O)[C@@H](CCSc1ccc(Cl)cc1)[NH2+]C1CC1 ZINC000062597845 526953363 /nfs/dbraw/zinc/95/33/63/526953363.db2.gz MTNCDUVGETYDHQ-GFCCVEGCSA-N 1 0 284.812 2.428 10 0 CEAERO Clc1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)nn1 ZINC000049568902 526955469 /nfs/dbraw/zinc/95/54/69/526955469.db2.gz JNZTXTKWZHUVGA-NXEZZACHSA-N 1 0 252.749 2.169 10 0 CEAERO Clc1ccc(N2CCCOCC2)nc1C[NH2+]C1CC1 ZINC000061935365 526955784 /nfs/dbraw/zinc/95/57/84/526955784.db2.gz MYLCNJWLYYMAAY-UHFFFAOYSA-N 1 0 281.787 2.214 10 0 CEAERO Cc1nc(N2CCN(c3ccccc3)CC2)sc1C[NH3+] ZINC000054995981 526968319 /nfs/dbraw/zinc/96/83/19/526968319.db2.gz GFCOZRVGMAQYKI-UHFFFAOYSA-N 1 0 288.420 2.237 10 0 CEAERO O=C(N[C@H]1CCCC[NH2+]C1)[C@H]1CCCc2ccccc21 ZINC000070120019 527020553 /nfs/dbraw/zinc/02/05/53/527020553.db2.gz LBHYRXLBNREHQJ-HOCLYGCPSA-N 1 0 272.392 2.365 10 0 CEAERO O=C(N[C@H]1CCCC[NH2+]C1)c1cccc(Br)c1 ZINC000070120264 527020988 /nfs/dbraw/zinc/02/09/88/527020988.db2.gz FKBFTGLUJRZATF-LBPRGKRZSA-N 1 0 297.196 2.321 10 0 CEAERO NC(=O)c1ccccc1C[NH2+][C@H]1CCc2ccccc2C1 ZINC000051631762 527089589 /nfs/dbraw/zinc/08/95/89/527089589.db2.gz BLYLHMHDEYCTIS-INIZCTEOSA-N 1 0 280.371 2.433 10 0 CEAERO O=C(C[C@@H]1CCCC[NH2+]1)NCc1ccc(F)cc1F ZINC000051017937 527109968 /nfs/dbraw/zinc/10/99/68/527109968.db2.gz JZNWQIMAHCPUIC-LBPRGKRZSA-N 1 0 268.307 2.113 10 0 CEAERO [NH3+]CCC1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000070188044 527169106 /nfs/dbraw/zinc/16/91/06/527169106.db2.gz YYLZHHXSZJPDDT-UKTHLTGXSA-N 1 0 294.420 2.048 10 0 CEAERO [NH3+]CCCN(C(=O)[C@H]1CCCCO1)c1ccccc1F ZINC000050958289 527176681 /nfs/dbraw/zinc/17/66/81/527176681.db2.gz UOXKGPYHBHKBOK-CQSZACIVSA-N 1 0 280.343 2.077 10 0 CEAERO O=S(=O)(C[C@@H]1CCCC[NH2+]1)Nc1ccc2c(c1)CCC2 ZINC000049630724 527181889 /nfs/dbraw/zinc/18/18/89/527181889.db2.gz ZKACFCHEUQETCE-HNNXBMFYSA-N 1 0 294.420 2.059 10 0 CEAERO O=S(=O)(C[C@H]1CCC[NH2+]1)Nc1cccc2c1CCCC2 ZINC000049640757 527186623 /nfs/dbraw/zinc/18/66/23/527186623.db2.gz GCDJYGQSALMEBQ-CYBMUJFWSA-N 1 0 294.420 2.059 10 0 CEAERO [NH3+]CC[C@H]1CN(C(=O)Cc2ccccn2)c2ccccc21 ZINC000063127859 527195277 /nfs/dbraw/zinc/19/52/77/527195277.db2.gz OFXVLEGFDDJLDQ-ZDUSSCGKSA-N 1 0 281.359 2.103 10 0 CEAERO [NH3+]CCc1ccc(CNC(=O)c2cccc(F)c2F)cc1 ZINC000054212126 527196477 /nfs/dbraw/zinc/19/64/77/527196477.db2.gz CGXBCCWTWVXEOO-UHFFFAOYSA-N 1 0 290.313 2.396 10 0 CEAERO [NH3+]CCc1ccc(C(=O)Nc2ccc(O)c(F)c2)cc1 ZINC000070330169 527196855 /nfs/dbraw/zinc/19/68/55/527196855.db2.gz YDBUMKIHOSNDOZ-UHFFFAOYSA-N 1 0 274.295 2.285 10 0 CEAERO [NH3+]CCc1ccc(O[C@H]2CCOC2)c(C(F)(F)F)c1 ZINC000070072792 527196873 /nfs/dbraw/zinc/19/68/73/527196873.db2.gz BNTJQZRRWYKODW-JTQLQIEISA-N 1 0 275.270 2.374 10 0 CEAERO [NH3+]CCc1ccc(CNC(=O)c2cc(F)cc(F)c2)cc1 ZINC000052898740 527196906 /nfs/dbraw/zinc/19/69/06/527196906.db2.gz VIISLMSNSNFRAD-UHFFFAOYSA-N 1 0 290.313 2.396 10 0 CEAERO [NH3+]CCc1cnn(Cc2ccc(F)cc2Cl)c1 ZINC000054740821 527197901 /nfs/dbraw/zinc/19/79/01/527197901.db2.gz LLUFCECGJABGDH-UHFFFAOYSA-N 1 0 253.708 2.225 10 0 CEAERO [NH3+]C[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2C1 ZINC000050911857 527203281 /nfs/dbraw/zinc/20/32/81/527203281.db2.gz WMHYBAQIFXLWEX-QGZVFWFLSA-N 1 0 280.371 2.346 10 0 CEAERO [NH3+]C[C@@H](c1cccc(F)c1)N(CCO)Cc1ccccc1 ZINC000050514013 527207573 /nfs/dbraw/zinc/20/75/73/527207573.db2.gz JLENHAJFZHKPCQ-KRWDZBQOSA-N 1 0 288.366 2.320 10 0 CEAERO Cc1nc2sccn2c1CN[C@H](C)CC[NH+](C)C ZINC000049554054 527212176 /nfs/dbraw/zinc/21/21/76/527212176.db2.gz VFRFXTPPJBSJBL-SNVBAGLBSA-N 1 0 266.414 2.134 10 0 CEAERO [NH3+]C[C@@]1(Cc2ccc(Br)cc2F)CCOC1 ZINC000054637518 527222454 /nfs/dbraw/zinc/22/24/54/527222454.db2.gz OFZCJMMFNWBPGM-LBPRGKRZSA-N 1 0 288.160 2.496 10 0 CEAERO [NH3+]C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCOC1 ZINC000054637608 527222547 /nfs/dbraw/zinc/22/25/47/527222547.db2.gz FSNSIIYFPWDICC-LBPRGKRZSA-N 1 0 275.270 2.493 10 0 CEAERO Cn1cc(C[C@@H](C[NH3+])Cc2ccccc2Cl)cn1 ZINC000052948546 527229187 /nfs/dbraw/zinc/22/91/87/527229187.db2.gz GPXJJPGCNNNTLW-LLVKDONJSA-N 1 0 263.772 2.434 10 0 CEAERO [NH3+]C[C@H](c1nc(Cc2ccccn2)no1)c1ccccc1 ZINC000061609367 527229755 /nfs/dbraw/zinc/22/97/55/527229755.db2.gz PITMCBTYCDKSJU-AWEZNQCLSA-N 1 0 280.331 2.146 10 0 CEAERO [NH3+]C[C@H]1CCN(CC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000050250139 527238274 /nfs/dbraw/zinc/23/82/74/527238274.db2.gz NODCNFCCRCZKCJ-SECBINFHSA-N 1 0 287.190 2.457 10 0 CEAERO [NH3+]C[C@H]1CC[C@H](COc2ccc(Br)cc2)O1 ZINC000052664243 527240115 /nfs/dbraw/zinc/24/01/15/527240115.db2.gz BSJBDNKNIGAIRM-VXGBXAGGSA-N 1 0 286.169 2.334 10 0 CEAERO [NH3+]Cc1cc(CN(CC(F)(F)F)C2CC2)ccn1 ZINC000068750307 527247439 /nfs/dbraw/zinc/24/74/39/527247439.db2.gz AFUILDFAYXBLSO-UHFFFAOYSA-N 1 0 259.275 2.067 10 0 CEAERO [NH3+]Cc1cc(COc2cc(F)cc(F)c2)ccn1 ZINC000068751914 527247465 /nfs/dbraw/zinc/24/74/65/527247465.db2.gz MULLOCUXYPAQGW-UHFFFAOYSA-N 1 0 250.248 2.398 10 0 CEAERO [NH3+]Cc1ccc(F)cc1CN1C(=O)c2ccccc2C1=O ZINC000069401909 527254700 /nfs/dbraw/zinc/25/47/00/527254700.db2.gz QBWDVAYNWRNBAX-UHFFFAOYSA-N 1 0 284.290 2.081 10 0 CEAERO [NH3+]Cc1ncccc1CN1C(=O)CCc2cc(F)ccc21 ZINC000061657078 527265881 /nfs/dbraw/zinc/26/58/81/527265881.db2.gz GWFNPVBTAFZPTF-UHFFFAOYSA-N 1 0 285.322 2.159 10 0 CEAERO NNc1cc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)cc[nH+]1 ZINC000051090907 527271486 /nfs/dbraw/zinc/27/14/86/527271486.db2.gz HLMQGXOTZJWSMF-AAEUAGOBSA-N 1 0 274.368 2.162 10 0 CEAERO [NH3+][C@@H](Cc1cccnc1)c1ccc2c(c1)OCCO2 ZINC000055228876 527337774 /nfs/dbraw/zinc/33/77/74/527337774.db2.gz DFCOZNLYUMOOCI-ZDUSSCGKSA-N 1 0 256.305 2.095 10 0 CEAERO [NH3+][C@@H]1CCC2(C[C@@H]1Oc1ccccc1Cl)OCCO2 ZINC000049960128 527340538 /nfs/dbraw/zinc/34/05/38/527340538.db2.gz XZWYLZHTZZLMMY-YPMHNXCESA-N 1 0 283.755 2.342 10 0 CEAERO [NH3+][C@@H]1CCCCC[C@@H]1S(=O)(=O)c1ccccc1 ZINC000061702607 527341566 /nfs/dbraw/zinc/34/15/66/527341566.db2.gz CYPZWKGDOHMZSH-OLZOCXBDSA-N 1 0 253.367 2.120 10 0 CEAERO [NH3+][C@H](Cc1ccccc1)[C@H](O)c1ccc2c(c1)CCO2 ZINC000054685754 527389844 /nfs/dbraw/zinc/38/98/44/527389844.db2.gz FQTYRWAZUZGSHV-NVXWUHKLSA-N 1 0 269.344 2.225 10 0 CEAERO [NH3+][C@H]1COc2cc(OCC(=O)Nc3ccccc3)ccc21 ZINC000062803953 527417320 /nfs/dbraw/zinc/41/73/20/527417320.db2.gz GYENLTXCTFKVMS-AWEZNQCLSA-N 1 0 284.315 2.096 10 0 CEAERO Cc1ncn(C[C@H]2CC[C@H](C[NH2+]C(C)(C)C)O2)c1C ZINC000052593725 527462789 /nfs/dbraw/zinc/46/27/89/527462789.db2.gz YXZWUPSHNJGJOU-ZIAGYGMSSA-N 1 0 265.401 2.436 10 0 CEAERO O=c1cnc2ccccc2n1CCC[NH2+]C1CCCC1 ZINC000053523721 527493443 /nfs/dbraw/zinc/49/34/43/527493443.db2.gz MXAWPEKHFCPQPA-UHFFFAOYSA-N 1 0 271.364 2.319 10 0 CEAERO Nc1ccccc1CC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000052918683 527525268 /nfs/dbraw/zinc/52/52/68/527525268.db2.gz BVJOWBJCGHYEND-HOTGVXAUSA-N 1 0 260.381 2.455 10 0 CEAERO OCCC[C@H]1CCC[N@@H+]1Cc1cn2ccccc2n1 ZINC000052761824 527546015 /nfs/dbraw/zinc/54/60/15/527546015.db2.gz HFOOATMEUPJMBK-CQSZACIVSA-N 1 0 259.353 2.071 10 0 CEAERO OCC[C@H]1CCCC[N@@H+]1CC[C@@H](O)c1cccc(F)c1 ZINC000053986335 527568988 /nfs/dbraw/zinc/56/89/88/527568988.db2.gz WWMSWFVYTBTSSP-HZPDHXFCSA-N 1 0 281.371 2.486 10 0 CEAERO Cc1nn(C(C)C)c(C)c1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054307650 527590492 /nfs/dbraw/zinc/59/04/92/527590492.db2.gz LNJARXXKJWJVIV-CYBMUJFWSA-N 1 0 278.400 2.409 10 0 CEAERO Cn1nccc1[C@H]([NH3+])c1ccc(Br)cc1 ZINC000069020278 527628266 /nfs/dbraw/zinc/62/82/66/527628266.db2.gz JXMXFTGCVZYSKL-LLVKDONJSA-N 1 0 266.142 2.231 10 0 CEAERO O[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000061674827 527668171 /nfs/dbraw/zinc/66/81/71/527668171.db2.gz JJFWFLUQRSVOAF-CHWSQXEVSA-N 1 0 263.337 2.199 10 0 CEAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1cncc(Br)c1 ZINC000160585268 527671375 /nfs/dbraw/zinc/67/13/75/527671375.db2.gz INEDANAIOJFMHM-ZYHUDNBSSA-N 1 0 285.185 2.095 10 0 CEAERO CC[NH+]1CCN(c2cc(Br)ccc2N)CC1 ZINC000083730561 535743124 /nfs/dbraw/zinc/74/31/24/535743124.db2.gz QDVHZXYTZAVSRQ-UHFFFAOYSA-N 1 0 284.201 2.173 10 0 CEAERO CCc1cc(C(=O)N2CC[C@H]([NH3+])c3ccccc32)n(C)n1 ZINC000090125039 536114320 /nfs/dbraw/zinc/11/43/20/536114320.db2.gz COZLLJVSATZZQB-ZDUSSCGKSA-N 1 0 284.363 2.033 10 0 CEAERO CC[C@H]1CN(c2ccc(N3CCCC3)cc2)CC[NH2+]1 ZINC000086148775 536160866 /nfs/dbraw/zinc/16/08/66/536160866.db2.gz XLQUAWFHKLTKBU-AWEZNQCLSA-N 1 0 259.397 2.475 10 0 CEAERO CCc1ncnc(N2CCC([NH2+]CC3CC3)CC2)c1F ZINC000234216146 536175313 /nfs/dbraw/zinc/17/53/13/536175313.db2.gz OTJUVZHWAGDDQN-UHFFFAOYSA-N 1 0 278.375 2.147 10 0 CEAERO COc1ncnc(N2CCCC[C@@H]2C[NH2+]C(C)C)c1C ZINC000090789052 536905530 /nfs/dbraw/zinc/90/55/30/536905530.db2.gz VKQMAFNAONRNJM-CYBMUJFWSA-N 1 0 278.400 2.151 10 0 CEAERO COc1cccc2c1N(C(=O)[C@H]1CCC[C@@H]1[NH3+])CCC2 ZINC000085369553 536958527 /nfs/dbraw/zinc/95/85/27/536958527.db2.gz OQLLSCOTTWSGKV-STQMWFEESA-N 1 0 274.364 2.102 10 0 CEAERO C[C@@H]1CCC[C@H](CNC(=O)C2CCC([NH3+])CC2)C1 ZINC000225396746 538808875 /nfs/dbraw/zinc/80/88/75/538808875.db2.gz UCHSLTDCXJVMJJ-KBHBFKLGSA-N 1 0 252.402 2.446 10 0 CEAERO CC(C)(C)OC(=O)c1cc(Br)cnc1C[NH3+] ZINC000675075264 567024424 /nfs/dbraw/zinc/02/44/24/567024424.db2.gz JUMFFJKSEKNADW-UHFFFAOYSA-N 1 0 287.157 2.258 10 0 CEAERO [NH3+]C[C@@H]1CCN1Cc1ccc(Br)c(F)c1 ZINC000757145502 574510376 /nfs/dbraw/zinc/51/03/76/574510376.db2.gz MRPJWHVGONOQQP-VIFPVBQESA-N 1 0 273.149 2.121 10 0 CEAERO Cc1c(Br)cccc1CN1CC[C@H]1C[NH3+] ZINC000757148262 574510579 /nfs/dbraw/zinc/51/05/79/574510579.db2.gz RQZZBICROHJYHO-NSHDSACASA-N 1 0 269.186 2.291 10 0 CEAERO CC(C)(C)c1nsc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000261781491 574517211 /nfs/dbraw/zinc/51/72/11/574517211.db2.gz PIBWOHHRTIXPIT-RKDXNWHRSA-N 1 0 282.413 2.149 10 0 CEAERO O[C@@H]1CCC[C@H](C[N@@H+]2CC[C@H](C(F)(F)F)C2)C1 ZINC000310435014 625566190 /nfs/dbraw/zinc/56/61/90/625566190.db2.gz RBRNWWVJDCKMCG-GARJFASQSA-N 1 0 251.292 2.422 10 0 CEAERO Cc1ccc(N2CCC[N@H+](C/C=C\Cl)CC2)nn1 ZINC000254945224 622679475 /nfs/dbraw/zinc/67/94/75/622679475.db2.gz FEBQROLBTYIYIJ-KXFIGUGUSA-N 1 0 266.776 2.050 10 0 CEAERO Cc1cccc(OCCCC(=O)N[C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000193636718 625599859 /nfs/dbraw/zinc/59/98/59/625599859.db2.gz HWIFNZPXMQUCDZ-ZBFHGGJFSA-N 1 0 290.407 2.411 10 0 CEAERO CCS(=O)(=O)c1ccc(N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000050163831 623328734 /nfs/dbraw/zinc/32/87/34/623328734.db2.gz DSLUGGPNXYHJGM-STQMWFEESA-N 1 0 296.436 2.280 10 0 CEAERO Cc1cc(Br)cnc1NCC[NH2+]C1CC1 ZINC000086708471 623348404 /nfs/dbraw/zinc/34/84/04/623348404.db2.gz AXPGMQMMBJUIPE-UHFFFAOYSA-N 1 0 270.174 2.316 10 0 CEAERO COc1cc(CN2CC[C@H]([NH3+])[C@H]2C)ccc1OC(F)F ZINC000261641920 623414095 /nfs/dbraw/zinc/41/40/95/623414095.db2.gz CJHYBBGEJVIAAJ-KOLCDFICSA-N 1 0 286.322 2.218 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)c1cnc(Cc2ccccc2)s1 ZINC000261784633 623461441 /nfs/dbraw/zinc/46/14/41/623461441.db2.gz QJUBIZQKNHARFK-LLVKDONJSA-N 1 0 289.404 2.072 10 0 CEAERO Oc1ccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)cc1F ZINC000891415871 623612787 /nfs/dbraw/zinc/61/27/87/623612787.db2.gz TYVMQAJZCCZRRN-ZDUSSCGKSA-N 1 0 290.342 2.035 10 0 CEAERO C[NH2+]CCc1noc(-c2ccc(C)cc2Cl)n1 ZINC000234390618 623992059 /nfs/dbraw/zinc/99/20/59/623992059.db2.gz NHGIMONZENZJIJ-UHFFFAOYSA-N 1 0 251.717 2.460 10 0 CEAERO C[C@@H](O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)nc1 ZINC000309061782 624488287 /nfs/dbraw/zinc/48/82/87/624488287.db2.gz XDSPLKHXCVCMJX-HRDYMLBCSA-N 1 0 273.174 2.264 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000261785201 624547592 /nfs/dbraw/zinc/54/75/92/624547592.db2.gz PWWDROUTQRVVMJ-RISCZKNCSA-N 1 0 296.436 2.094 10 0 CEAERO CC[N@@H+]1CCC[C@H](NS(=O)(=O)/C=C\c2ccccc2)C1 ZINC000048841611 624782866 /nfs/dbraw/zinc/78/28/66/624782866.db2.gz ZSYJKQJPNNQDNG-WQTVUKCASA-N 1 0 294.420 2.061 10 0 CEAERO Cc1ccnc(NC[C@H]2CCC[NH2+]2)c1Br ZINC000235936963 625799054 /nfs/dbraw/zinc/79/90/54/625799054.db2.gz 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COc1cccc(Cc2noc(C[C@@H]3CCC[NH2+]C3)n2)c1 ZINC000054301505 631143173 /nfs/dbraw/zinc/14/31/73/631143173.db2.gz NEZJOACFNHQYRR-ZDUSSCGKSA-N 1 0 287.363 2.211 10 0 CEAERO C[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000237346314 631560334 /nfs/dbraw/zinc/56/03/34/631560334.db2.gz PKFINMYOOGAUMD-ZFWWWQNUSA-N 1 0 260.381 2.063 10 0 CEAERO [NH3+]C[C@H]1CCN1Cc1cc(F)cc(Br)c1 ZINC000757144378 631822124 /nfs/dbraw/zinc/82/21/24/631822124.db2.gz JUQIVARPPZUFGL-LLVKDONJSA-N 1 0 273.149 2.121 10 0 CEAERO [NH3+]C[C@@H]1CC(=O)Nc2c(Br)cc(Cl)cc21 ZINC000757175325 631829182 /nfs/dbraw/zinc/82/91/82/631829182.db2.gz DEEIHVOAFFHIOH-YFKPBYRVSA-N 1 0 289.560 2.487 10 0 CEAERO CCOC(=O)CCc1nc([C@@]2([NH3+])C[C@H](C)C[C@H](C)C2)no1 ZINC000757184388 631829704 /nfs/dbraw/zinc/82/97/04/631829704.db2.gz WFGKRDSJKXAGFK-QHBPRCKVSA-N 1 0 295.383 2.175 10 0 CEAERO CCOC(=O)CCc1nc([C@@]2([NH3+])CC(C)(C)C[C@H]2C)no1 ZINC000757183689 631829905 /nfs/dbraw/zinc/82/99/05/631829905.db2.gz SAUCJQBXYWXFNF-MEBBXXQBSA-N 1 0 295.383 2.175 10 0 CEAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@]12CCCSC2 ZINC000757183324 631830107 /nfs/dbraw/zinc/83/01/07/631830107.db2.gz BECMSCSNYQZDFS-MFKMUULPSA-N 1 0 257.399 2.061 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]2CN(c3ccc(C(F)(F)F)nn3)C[C@H]21 ZINC000228552920 634309415 /nfs/dbraw/zinc/30/94/15/634309415.db2.gz ZWXOWLSTEFSGGN-IVZWLZJFSA-N 1 0 286.301 2.059 10 0 CEAERO CC[NH2+]CC(=O)N[C@@H](C)c1ccccc1Br ZINC000044290791 638997353 /nfs/dbraw/zinc/99/73/53/638997353.db2.gz QSTDGBPGUMLANY-VIFPVBQESA-N 1 0 285.185 2.236 10 0 CEAERO [NH3+]CC1(C(=O)NC[C@H](O)c2ccc(Cl)cc2)CCCC1 ZINC000151477790 639320271 /nfs/dbraw/zinc/32/02/71/639320271.db2.gz WZRYXKKMJRMAKZ-ZDUSSCGKSA-N 1 0 296.798 2.009 10 0 CEAERO CCCOc1ccnc(N[C@H](C)[C@H]2CCC[NH2+]C2)n1 ZINC000164787490 639394965 /nfs/dbraw/zinc/39/49/65/639394965.db2.gz ZNLIXZOSJRXPRS-NEPJUHHUSA-N 1 0 264.373 2.065 10 0 CEAERO CCCOc1ccnc(NCc2ccc(CC[NH3+])cc2)n1 ZINC000226654272 639561583 /nfs/dbraw/zinc/56/15/83/639561583.db2.gz DQDKGKNPABCRND-UHFFFAOYSA-N 1 0 286.379 2.379 10 0 CEAERO CO[C@H](c1noc([C@@H](C[NH3+])c2ccccc2)n1)C1CC1 ZINC000227330522 639585168 /nfs/dbraw/zinc/58/51/68/639585168.db2.gz LYMCZJGPMBRVRC-STQMWFEESA-N 1 0 273.336 2.258 10 0 CEAERO COC(=O)[C@H]1C[N@H+](CCOc2ccccc2C)C[C@@H]1C ZINC000227807149 639605377 /nfs/dbraw/zinc/60/53/77/639605377.db2.gz ZGQXZIPWHCSYOO-KBPBESRZSA-N 1 0 277.364 2.115 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]2CN(c3ccncc3Cl)C[C@H]21 ZINC000228552779 639642811 /nfs/dbraw/zinc/64/28/11/639642811.db2.gz BUUOTDGUJROTHQ-HOSYDEDBSA-N 1 0 251.761 2.299 10 0 CEAERO C/C=C(/C)C[N@@H+]1CC[C@@H](CNC(=O)Cc2ccncc2)C1 ZINC000229646283 639713293 /nfs/dbraw/zinc/71/32/93/639713293.db2.gz LZAJYVMWIMHFMA-FUYANPBUSA-N 1 0 287.407 2.028 10 0 CEAERO COC(C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)OC ZINC000104250111 639729654 /nfs/dbraw/zinc/72/96/54/639729654.db2.gz JGCUUELOAMLETN-DTWKUNHWSA-N 1 0 255.280 2.316 10 0 CEAERO COCC[C@H](C)[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000230061931 639730101 /nfs/dbraw/zinc/73/01/01/639730101.db2.gz OIAPZEHJRYIILI-QWHCGFSZSA-N 1 0 286.416 2.258 10 0 CEAERO CC1(C)OC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3O)O1 ZINC000230203683 639745634 /nfs/dbraw/zinc/74/56/34/639745634.db2.gz QXAHZQSHGBOPJW-ZWNOBZJWSA-N 1 0 263.337 2.121 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]2O)C1 ZINC000172632697 639784820 /nfs/dbraw/zinc/78/48/20/639784820.db2.gz IPUBAUMZENPUTL-RDBSUJKOSA-N 1 0 298.427 2.137 10 0 CEAERO [NH3+][C@H]1CC[C@@H](c2nc(-c3ccc(O)c(F)c3)no2)C1 ZINC000230927446 639804920 /nfs/dbraw/zinc/80/49/20/639804920.db2.gz BESVBKBSEMRMIW-BDAKNGLRSA-N 1 0 263.272 2.176 10 0 CEAERO CCOCC[N@@H+]1CCN(Cc2cccc(Cl)n2)C[C@@H]1C ZINC000173679527 639870504 /nfs/dbraw/zinc/87/05/04/639870504.db2.gz SOGNCSXYJWMZDM-ZDUSSCGKSA-N 1 0 297.830 2.278 10 0 CEAERO Cc1cnc([C@H](C)NC(=O)CCCCCC[NH3+])o1 ZINC000231743806 639876343 /nfs/dbraw/zinc/87/63/43/639876343.db2.gz WIBNKZXRZOAOPV-NSHDSACASA-N 1 0 253.346 2.069 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1C(=O)NCCSC(F)(F)F ZINC000231945991 639886840 /nfs/dbraw/zinc/88/68/40/639886840.db2.gz WIJCWMIVSGIWAU-IUCAKERBSA-N 1 0 284.347 2.121 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+][C@H]2CCOC2)C1 ZINC000088698040 639999137 /nfs/dbraw/zinc/99/91/37/639999137.db2.gz YDHBIFMNSCAZLX-STQMWFEESA-N 1 0 284.400 2.012 10 0 CEAERO C[C@@H]1CCN(S(=O)(=O)/C=C\c2ccccc2)[C@H](C[NH3+])C1 ZINC000312191279 640004494 /nfs/dbraw/zinc/00/44/94/640004494.db2.gz QBENWMTVGOGWBQ-VLODSAPTSA-N 1 0 294.420 2.046 10 0 CEAERO CN(Cc1ccccc1)C(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089386207 640360477 /nfs/dbraw/zinc/36/04/77/640360477.db2.gz NSXWHJPFFUYXTJ-CABCVRRESA-N 1 0 260.381 2.410 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cn1ccc(C(F)(F)F)n1 ZINC000153238892 640438673 /nfs/dbraw/zinc/43/86/73/640438673.db2.gz DBLITCVLSMJGDA-WDEREUQCSA-N 1 0 288.317 2.028 10 0 CEAERO C[C@H]1Cc2ccccc2N(C(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000105569084 640790976 /nfs/dbraw/zinc/79/09/76/640790976.db2.gz KJJVNLPEZSHSBV-JSGCOSHPSA-N 1 0 258.365 2.211 10 0 CEAERO C[C@@H](Cc1ccccc1)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000154200531 640823945 /nfs/dbraw/zinc/82/39/45/640823945.db2.gz BTIBWRHBUJCHBN-BFHYXJOUSA-N 1 0 260.381 2.074 10 0 CEAERO CCS(=O)(=O)c1ccc(NCCCCCC[NH3+])cc1 ZINC000233850677 641341962 /nfs/dbraw/zinc/34/19/62/641341962.db2.gz DXNAJCBWWZCCBF-UHFFFAOYSA-N 1 0 284.425 2.411 10 0 CEAERO [NH3+]C1CCC(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000237800060 641384983 /nfs/dbraw/zinc/38/49/83/641384983.db2.gz UUEAWZIPADLDIS-FIYWTHMPSA-N 1 0 294.345 2.454 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000237998397 641412822 /nfs/dbraw/zinc/41/28/22/641412822.db2.gz LLHXIRUAJJGZKQ-XKFJNSEWSA-N 1 0 294.345 2.312 10 0 CEAERO CC1CCC(C[NH2+]C[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000252550217 641579998 /nfs/dbraw/zinc/57/99/98/641579998.db2.gz OKVUJQAYCWVBLD-SSHXOBKSSA-N 1 0 266.429 2.266 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C(C)(Cl)Cl ZINC000181895930 641608844 /nfs/dbraw/zinc/60/88/44/641608844.db2.gz ARCTXPDBATXVCA-SECBINFHSA-N 1 0 269.216 2.273 10 0 CEAERO CCc1csc([C@H]2CCC[N@H+](Cn3cnnc3)C2)n1 ZINC000182577612 641678887 /nfs/dbraw/zinc/67/88/87/641678887.db2.gz FASNPSRYTWVQAM-NSHDSACASA-N 1 0 277.397 2.134 10 0 CEAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cccnc1Cl ZINC000075609080 642310805 /nfs/dbraw/zinc/31/08/05/642310805.db2.gz OKDOXHTZROWMJX-JTQLQIEISA-N 1 0 269.776 2.195 10 0 CEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCC(C)(C)SC ZINC000073654733 642594043 /nfs/dbraw/zinc/59/40/43/642594043.db2.gz ZJGIQMORXOAQJJ-NSHDSACASA-N 1 0 275.462 2.158 10 0 CEAERO O=C(Nc1ccc(Cl)nc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000126738953 650926757 /nfs/dbraw/zinc/92/67/57/650926757.db2.gz ZWGHYSSSPVFWIU-GFCCVEGCSA-N 1 0 294.786 2.437 10 0 CEAERO CC[C@H](C)c1ccc(S(=O)(=O)NC[C@H]2CC[NH2+]C2)cc1 ZINC000131871345 652474881 /nfs/dbraw/zinc/47/48/81/652474881.db2.gz CGESBRQNDLABNT-STQMWFEESA-N 1 0 296.436 2.088 10 0 CEAERO CC[NH+](CC)[C@@H](C)CNC(=O)C[C@H]1CSCCS1 ZINC000132897651 652568903 /nfs/dbraw/zinc/56/89/03/652568903.db2.gz JRRJLWXOSFQLLK-RYUDHWBXSA-N 1 0 290.498 2.072 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cn1cc(C)cnc1=S ZINC000133395972 652624413 /nfs/dbraw/zinc/62/44/13/652624413.db2.gz NXZLWCPXXQYHME-CYBMUJFWSA-N 1 0 280.441 2.295 10 0 CEAERO Fc1ccc(Cl)cc1C[N+]12CCN(CC1)CC2 ZINC000188631344 717157557 /nfs/dbraw/zinc/15/75/57/717157557.db2.gz WBQGXHSDDJLJLB-UHFFFAOYSA-N 1 0 255.744 2.125 10 0 CEAERO CC[NH2+][C@@H](CS(=O)(=O)C1CCCC1)C(C)(C)C ZINC000081989200 177914484 /nfs/dbraw/zinc/91/44/84/177914484.db2.gz NERYNCYTCGAFGB-LBPRGKRZSA-N 1 0 261.431 2.368 10 0 CEAERO [NH3+][C@H](C(=O)NC1(c2ccccc2)CC1)c1ccccc1 ZINC000082260793 177933249 /nfs/dbraw/zinc/93/32/49/177933249.db2.gz WCHWOXPRAHXZCQ-HNNXBMFYSA-N 1 0 266.344 2.492 10 0 CEAERO Cc1cccc(OCC[C@@H](C[NH3+])c2nccn2C)c1 ZINC000082296280 177950568 /nfs/dbraw/zinc/95/05/68/177950568.db2.gz RSYTXKLZHZAWCH-ZDUSSCGKSA-N 1 0 259.353 2.240 10 0 CEAERO O=C(OCc1ccccc1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000095643158 185017417 /nfs/dbraw/zinc/01/74/17/185017417.db2.gz QPGFLXGBPNFBPN-KBPBESRZSA-N 1 0 260.337 2.150 10 0 CEAERO COCc1nc(Cc2ccc(OC)cc2)sc1C[NH3+] ZINC000082445245 178021981 /nfs/dbraw/zinc/02/19/81/178021981.db2.gz BYRAHFIODKZHCM-UHFFFAOYSA-N 1 0 278.377 2.348 10 0 CEAERO COCc1nc(N2CCCC[C@@H]2C)sc1C[NH3+] ZINC000082447180 178025618 /nfs/dbraw/zinc/02/56/18/178025618.db2.gz BWGOVUCBXGBLFX-VIFPVBQESA-N 1 0 255.387 2.127 10 0 CEAERO Cc1cc(I)cc(CC[NH3+])c1 ZINC000095764807 185027544 /nfs/dbraw/zinc/02/75/44/185027544.db2.gz UOWSIWRBTGMPRH-UHFFFAOYSA-N 1 0 261.106 2.101 10 0 CEAERO CCOCC[N@@H+]1CCN(CCc2ccccc2F)C[C@@H]1C ZINC000121375509 365559927 /nfs/dbraw/zinc/55/99/27/365559927.db2.gz BHIQXOJRQRHMJX-HNNXBMFYSA-N 1 0 294.414 2.411 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1NC(=O)c1sccc1Br ZINC000082614190 178126489 /nfs/dbraw/zinc/12/64/89/178126489.db2.gz WYOWAAVLKYOUDV-YUMQZZPRSA-N 1 0 289.198 2.120 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1NC(=O)c1sccc1Br ZINC000082614189 178126744 /nfs/dbraw/zinc/12/67/44/178126744.db2.gz WYOWAAVLKYOUDV-JGVFFNPUSA-N 1 0 289.198 2.120 10 0 CEAERO C[NH+](C)Cc1cc2c(nccc2Br)[nH]1 ZINC000095937173 185034122 /nfs/dbraw/zinc/03/41/22/185034122.db2.gz GVFBLPZMOQGYSP-UHFFFAOYSA-N 1 0 254.131 2.387 10 0 CEAERO Cc1ccc(NC(=O)C2([NH3+])CCOCC2)c(Cl)c1 ZINC000127733054 187329143 /nfs/dbraw/zinc/32/91/43/187329143.db2.gz MQVXGGPSEHDDRO-UHFFFAOYSA-N 1 0 268.744 2.095 10 0 CEAERO C[C@H](Cc1cccs1)NC(=O)c1c[nH+]ccc1N ZINC000127749861 187330901 /nfs/dbraw/zinc/33/09/01/187330901.db2.gz NZCJSONRJSCIMU-SECBINFHSA-N 1 0 261.350 2.086 10 0 CEAERO Cc1nc2c(Br)cccn2c1[C@@H](C)[NH3+] ZINC000082695430 178191309 /nfs/dbraw/zinc/19/13/09/178191309.db2.gz JJUKBYHEYGURFO-ZCFIWIBFSA-N 1 0 254.131 2.425 10 0 CEAERO CC[NH+](CC)CCCNC(=O)C(C)(C)c1ccc(N)cc1 ZINC000082698593 178199027 /nfs/dbraw/zinc/19/90/27/178199027.db2.gz QGUPMGAXRPUGSJ-UHFFFAOYSA-N 1 0 291.439 2.395 10 0 CEAERO [NH3+]C1CC2(C1)CC(NC(=O)OCc1ccccc1)C2 ZINC000032628934 361747875 /nfs/dbraw/zinc/74/78/75/361747875.db2.gz HHKPXJWDHOCXJT-UHFFFAOYSA-N 1 0 260.337 2.183 10 0 CEAERO NC(=[NH2+])c1ccccc1COCCc1ccccn1 ZINC000034958519 361800245 /nfs/dbraw/zinc/80/02/45/361800245.db2.gz MDZZLARUHQFRHX-UHFFFAOYSA-N 1 0 255.321 2.125 10 0 CEAERO CCc1c(Cl)ncnc1N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000124751226 187151877 /nfs/dbraw/zinc/15/18/77/187151877.db2.gz OGCFNCVMEQLWFQ-MWLCHTKSSA-N 1 0 268.792 2.079 10 0 CEAERO C[NH+]1CCN(C[C@H](c2cccc(Cl)c2)C(C)(C)O)CC1 ZINC000034442260 361790014 /nfs/dbraw/zinc/79/00/14/361790014.db2.gz YNJYCRAPAGGYCT-OAHLLOKOSA-N 1 0 296.842 2.442 10 0 CEAERO O=[S@](CC[NH2+]C1CC1)c1ccccc1Br ZINC000082747345 178268927 /nfs/dbraw/zinc/26/89/27/178268927.db2.gz LQTNIVPZRSRDDU-HNNXBMFYSA-N 1 0 288.210 2.309 10 0 CEAERO CC[C@@H]([NH3+])C[S@](=O)c1ccccc1Br ZINC000082747343 178269236 /nfs/dbraw/zinc/26/92/36/178269236.db2.gz QQMHISREXVGKLY-XLKFXECMSA-N 1 0 276.199 2.294 10 0 CEAERO CC[NH2+][C@H](C)C[C@H](C)S(=O)(=O)c1cccs1 ZINC000082798424 178301494 /nfs/dbraw/zinc/30/14/94/178301494.db2.gz PUDMMOQRZNSFSQ-ZJUUUORDSA-N 1 0 261.412 2.298 10 0 CEAERO CC[N@@H+]1CC[C@]12CCN(C(=O)c1ccsc1)C2 ZINC000096075930 185090162 /nfs/dbraw/zinc/09/01/62/185090162.db2.gz SEKPDQSDIIYEHP-ZDUSSCGKSA-N 1 0 250.367 2.058 10 0 CEAERO OCCC[C@H]1CCC[N@@H+]1Cc1cncc(Cl)c1 ZINC000621254130 349538513 /nfs/dbraw/zinc/53/85/13/349538513.db2.gz IFZOUPIRIXHSIZ-CYBMUJFWSA-N 1 0 254.761 2.472 10 0 CEAERO C[C@](O)(C[NH3+])CSc1nc2ccccc2s1 ZINC000082917550 178329675 /nfs/dbraw/zinc/32/96/75/178329675.db2.gz RDFMOVRTDXWTLC-NSHDSACASA-N 1 0 254.380 2.098 10 0 CEAERO Cc1ccc([S@@](=O)C[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000083309214 178380411 /nfs/dbraw/zinc/38/04/11/178380411.db2.gz MXHRUKTWTFFMPK-CXAGYDPISA-N 1 0 251.395 2.411 10 0 CEAERO CCC[C@@H](O)C[N@H+](CCCOC)Cc1ccco1 ZINC000036096459 361828072 /nfs/dbraw/zinc/82/80/72/361828072.db2.gz YBMVEGQZBIYUJA-CYBMUJFWSA-N 1 0 255.358 2.279 10 0 CEAERO CC(C)[NH+]1CCN(C(=O)c2ccc(Cl)c(N)c2)CC1 ZINC000036170453 361834380 /nfs/dbraw/zinc/83/43/80/361834380.db2.gz LAADHCRCFCJHNZ-UHFFFAOYSA-N 1 0 281.787 2.088 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1c1nc(-c2cncs2)no1 ZINC000096883008 185119544 /nfs/dbraw/zinc/11/95/44/185119544.db2.gz LJADSXBIGJARPB-SFYZADRCSA-N 1 0 250.327 2.178 10 0 CEAERO COCCC[N@@H+](Cc1ccc(C)s1)C[C@@H](C)O ZINC000036101439 361829629 /nfs/dbraw/zinc/82/96/29/361829629.db2.gz GXUDTQPMQVMSNX-LLVKDONJSA-N 1 0 257.399 2.276 10 0 CEAERO CC(C)(C)OC(=O)N1CC[C@@H]2C[C@H]([NH3+])CC[C@@H]2C1 ZINC000096897182 185124428 /nfs/dbraw/zinc/12/44/28/185124428.db2.gz ZJOCZWZSGVQGDF-IJLUTSLNSA-N 1 0 254.374 2.371 10 0 CEAERO CCCNC(=O)C[NH2+]Cc1csc(Br)c1 ZINC000036867909 361865508 /nfs/dbraw/zinc/86/55/08/361865508.db2.gz VGMCTADZLUKDGT-UHFFFAOYSA-N 1 0 291.214 2.126 10 0 CEAERO [NH3+][C@H](C(=O)N[C@@H]1CCOc2ccccc21)c1ccccc1 ZINC000037032446 361888903 /nfs/dbraw/zinc/88/89/03/361888903.db2.gz RBNXZHCPVQTJRL-ZBFHGGJFSA-N 1 0 282.343 2.326 10 0 CEAERO C[C@@H]1C[NH2+]CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000096958518 185141981 /nfs/dbraw/zinc/14/19/81/185141981.db2.gz DSHWMDLLXCEDTI-LLVKDONJSA-N 1 0 254.374 2.243 10 0 CEAERO O=S1(=O)CCC([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000037142176 361899010 /nfs/dbraw/zinc/89/90/10/361899010.db2.gz GUGOWZBNIYLNBP-KOLCDFICSA-N 1 0 299.358 2.274 10 0 CEAERO C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCCCC[C@H]2O)cc1 ZINC000135957599 282147263 /nfs/dbraw/zinc/14/72/63/282147263.db2.gz BDNBHPUAXLTFBL-JKSUJKDBSA-N 1 0 290.407 2.172 10 0 CEAERO C[C@@H]([NH3+])CCNC(=O)c1cscc1C(F)(F)F ZINC000621621865 349646027 /nfs/dbraw/zinc/64/60/27/349646027.db2.gz MKTKWIKWAIUAMK-ZCFIWIBFSA-N 1 0 266.288 2.234 10 0 CEAERO COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCC[C@H](O)C1)CC2 ZINC000129500670 539164342 /nfs/dbraw/zinc/16/43/42/539164342.db2.gz KOLPZYNPSHBCJR-XHSDSOJGSA-N 1 0 275.392 2.446 10 0 CEAERO Cc1ccc2c(c1Br)[C@@]1(C[C@H]1[NH3+])CN2 ZINC000725247464 539192579 /nfs/dbraw/zinc/19/25/79/539192579.db2.gz NJSSIKHLCONILP-KCJUWKMLSA-N 1 0 253.143 2.152 10 0 CEAERO [NH3+][C@H]1C[C@@]12CNc1ccc(Br)c(Cl)c12 ZINC000725247693 539192705 /nfs/dbraw/zinc/19/27/05/539192705.db2.gz UVCTXCZXPHUPRR-OIBJUYFYSA-N 1 0 273.561 2.497 10 0 CEAERO Cc1nccnc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000621726103 349680444 /nfs/dbraw/zinc/68/04/44/349680444.db2.gz JYQVZAZDDNECIZ-IMJJTQAJSA-N 1 0 275.396 2.301 10 0 CEAERO CCC[C@@H](C(=O)N1CCc2cc(OC)ccc21)[NH+](C)C ZINC000125895436 187203968 /nfs/dbraw/zinc/20/39/68/187203968.db2.gz KWDZFCPZSQKUAH-HNNXBMFYSA-N 1 0 276.380 2.315 10 0 CEAERO CCC(C)(C)NC(=O)N1CCC2(CCC[C@H]2[NH3+])CC1 ZINC000725264268 539212717 /nfs/dbraw/zinc/21/27/17/539212717.db2.gz UKCCTUANROIUDA-GFCCVEGCSA-N 1 0 267.417 2.478 10 0 CEAERO CC(C)(C)OC(=O)[C@@]1(C)CC2(C[C@H]1[NH3+])CCOCC2 ZINC000725266665 539213881 /nfs/dbraw/zinc/21/38/81/539213881.db2.gz UEQUKFUTZPSLNS-RISCZKNCSA-N 1 0 269.385 2.252 10 0 CEAERO CCn1cc(C2CC[NH+](Cc3cncnc3)CC2)cn1 ZINC000128110795 539251875 /nfs/dbraw/zinc/25/18/75/539251875.db2.gz FKJULRFHFLLFHD-UHFFFAOYSA-N 1 0 271.368 2.073 10 0 CEAERO Cc1nc(CC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c(C)s1 ZINC000126091672 187215729 /nfs/dbraw/zinc/21/57/29/187215729.db2.gz UJJOLZHSVIKEBP-HZMBPMFUSA-N 1 0 295.452 2.147 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)CC2([NH3+])CC2)cc1F ZINC000398033426 539253460 /nfs/dbraw/zinc/25/34/60/539253460.db2.gz LIFZGTAEOMIPBB-JTQLQIEISA-N 1 0 250.317 2.193 10 0 CEAERO OCC[C@H]1CC[N@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000128034516 539251286 /nfs/dbraw/zinc/25/12/86/539251286.db2.gz PDNWZCJIAUTZCE-ZIAGYGMSSA-N 1 0 261.365 2.257 10 0 CEAERO OCCN1CCC([NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000399005929 539263021 /nfs/dbraw/zinc/26/30/21/539263021.db2.gz YCXUWGDYEPZMIG-UHFFFAOYSA-N 1 0 266.429 2.002 10 0 CEAERO COc1cc(CN2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)sn1 ZINC000399076674 539263704 /nfs/dbraw/zinc/26/37/04/539263704.db2.gz VBONQKMMJDAPAH-NEPJUHHUSA-N 1 0 281.425 2.210 10 0 CEAERO [NH3+]C[C@@H](c1ccsc1)n1cc(Br)cn1 ZINC000043124215 362136774 /nfs/dbraw/zinc/13/67/74/362136774.db2.gz ZFLICRHXMGMGBA-VIFPVBQESA-N 1 0 272.171 2.255 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCCO2)c1C ZINC000045167761 362158136 /nfs/dbraw/zinc/15/81/36/362158136.db2.gz DUWWGBIPJDWSBO-ZWNOBZJWSA-N 1 0 251.374 2.349 10 0 CEAERO [NH3+][C@H](CCO)c1c(F)cc(Br)cc1F ZINC000044235605 362150400 /nfs/dbraw/zinc/15/04/00/362150400.db2.gz SLLWSLBNEUJEGC-MRVPVSSYSA-N 1 0 266.085 2.110 10 0 CEAERO CC[NH+](CC)CCOc1ccccc1OC[C@H](C)O ZINC000027873250 343394947 /nfs/dbraw/zinc/39/49/47/343394947.db2.gz LFWCPYWAFBRTTK-ZDUSSCGKSA-N 1 0 267.369 2.167 10 0 CEAERO C[C@H]([NH3+])Cc1ccc(N(C)C)cc1Br ZINC000033825548 343418205 /nfs/dbraw/zinc/41/82/05/343418205.db2.gz HARGFOZNYKJJBV-QMMMGPOBSA-N 1 0 257.175 2.405 10 0 CEAERO [NH3+]CCc1ccc(NC[C@H](O)c2ccccc2)cc1 ZINC000034183857 343418658 /nfs/dbraw/zinc/41/86/58/343418658.db2.gz YKNYOPMXFOFUOS-INIZCTEOSA-N 1 0 256.349 2.333 10 0 CEAERO C[C@@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1cc(F)ccc1F ZINC000037007638 343424857 /nfs/dbraw/zinc/42/48/57/343424857.db2.gz NPCSSPJMIHDOMI-NXEZZACHSA-N 1 0 268.307 2.142 10 0 CEAERO CCOc1cc(C[NH2+][C@H]2CCC[C@H](O)C2)ccc1OC ZINC000037163708 343426182 /nfs/dbraw/zinc/42/61/82/343426182.db2.gz YPUVZTMPIDHHME-KBPBESRZSA-N 1 0 279.380 2.487 10 0 CEAERO COC(=O)c1ccc(C)c(NC(=O)C2CCC([NH3+])CC2)c1 ZINC000037655180 343430235 /nfs/dbraw/zinc/43/02/35/343430235.db2.gz JEHYNBVCDYOYLM-UHFFFAOYSA-N 1 0 290.363 2.238 10 0 CEAERO [NH3+]C1CCC(C(=O)NCCc2cccc(F)c2)CC1 ZINC000037626308 343430359 /nfs/dbraw/zinc/43/03/59/343430359.db2.gz QJAITFHOZWWWAH-UHFFFAOYSA-N 1 0 264.344 2.002 10 0 CEAERO OC1(Cc2cc(F)ccc2Br)CC[NH2+]CC1 ZINC000083503960 178534571 /nfs/dbraw/zinc/53/45/71/178534571.db2.gz WDJJFZJYJKMUPG-UHFFFAOYSA-N 1 0 288.160 2.245 10 0 CEAERO O[C@H]1CCC[C@@H]([NH2+]Cc2c[nH]nc2-c2ccccc2)C1 ZINC000041640513 343442153 /nfs/dbraw/zinc/44/21/53/343442153.db2.gz IHCGNCKPWHMWCX-CABCVRRESA-N 1 0 271.364 2.470 10 0 CEAERO Cc1ncc(C[N@H+](C)C[C@H](O)COC(C)(C)C)s1 ZINC000052101182 343556208 /nfs/dbraw/zinc/55/62/08/343556208.db2.gz VTSXIYVWPLSKQL-NSHDSACASA-N 1 0 272.414 2.059 10 0 CEAERO CN(CCOc1ccccc1F)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054307754 343587291 /nfs/dbraw/zinc/58/72/91/343587291.db2.gz UISRCMYDSXMWTA-CYBMUJFWSA-N 1 0 294.370 2.053 10 0 CEAERO C[C@H](CCCC[NH3+])Nc1ncncc1Br ZINC000336715275 365777611 /nfs/dbraw/zinc/77/76/11/365777611.db2.gz WMUWQOGLZIOHND-MRVPVSSYSA-N 1 0 273.178 2.169 10 0 CEAERO CN(C)c1ccccc1C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000173362663 529794669 /nfs/dbraw/zinc/79/46/69/529794669.db2.gz PVGCJCIALSLSJY-HNNXBMFYSA-N 1 0 299.422 2.256 10 0 CEAERO FC(F)(F)c1nsc(NC[C@H]2CCCC[NH2+]2)n1 ZINC000228788622 539358573 /nfs/dbraw/zinc/35/85/73/539358573.db2.gz BTNLDLRYBFWIAU-ZCFIWIBFSA-N 1 0 266.292 2.111 10 0 CEAERO C[C@H]1C[C@]2(C=CC(=O)N2c2cccc(F)c2)CC[NH2+]1 ZINC000071603061 343801383 /nfs/dbraw/zinc/80/13/83/343801383.db2.gz MSHAGNFMSJIZNP-NHYWBVRUSA-N 1 0 260.312 2.239 10 0 CEAERO C[C@H]1C[C@H](C[NH3+])CN1c1ncccc1Br ZINC000127037586 187278117 /nfs/dbraw/zinc/27/81/17/187278117.db2.gz SXJFUNRJEBGBJQ-DTWKUNHWSA-N 1 0 270.174 2.018 10 0 CEAERO c1ccc(-c2nc3ncccc3n2C2CC[NH2+]CC2)nc1 ZINC000098187026 344247110 /nfs/dbraw/zinc/24/71/10/344247110.db2.gz YKTYSSDNMHCPMZ-UHFFFAOYSA-N 1 0 279.347 2.418 10 0 CEAERO C[NH+]1CCC(N2CC(C)(C)c3ccc(N)cc32)CC1 ZINC000113847475 344278108 /nfs/dbraw/zinc/27/81/08/344278108.db2.gz GQHSFLKTABHEJU-UHFFFAOYSA-N 1 0 259.397 2.461 10 0 CEAERO CC(C)(C)C[NH2+]CC(C)(C)n1cnc([N+](=O)[O-])c1 ZINC000117138621 344288071 /nfs/dbraw/zinc/28/80/71/344288071.db2.gz XOZGNDPAEOQKOV-UHFFFAOYSA-N 1 0 254.334 2.162 10 0 CEAERO CC[NH2+][C@H]1CCN(c2ccc(Br)cn2)C1 ZINC000117094278 344288353 /nfs/dbraw/zinc/28/83/53/344288353.db2.gz FHMGNUCCXOJXDG-JTQLQIEISA-N 1 0 270.174 2.032 10 0 CEAERO [NH2+]=C1N[C@H](c2ccc(Cl)cc2Br)CO1 ZINC000126835914 344326725 /nfs/dbraw/zinc/32/67/25/344326725.db2.gz XPAZMADPDCPGRJ-QMMMGPOBSA-N 1 0 275.533 2.489 10 0 CEAERO CC(=O)[C@@H]1C[C@H](C(=O)N[C@@H](CC(C)C)C[NH+](C)C)C1(C)C ZINC000129849333 344347532 /nfs/dbraw/zinc/34/75/32/344347532.db2.gz FJRCZOWGJBMFOF-SOUVJXGZSA-N 1 0 296.455 2.330 10 0 CEAERO Cc1ccc(Br)c(N2CC[C@H]([NH3+])C2)c1 ZINC000134867421 344377984 /nfs/dbraw/zinc/37/79/84/344377984.db2.gz ASLRNZKGYKUZSR-VIFPVBQESA-N 1 0 255.159 2.295 10 0 CEAERO COc1cc([C@H](C)[C@H](C)[NH3+])c(OC)c2c1CCOC2 ZINC000138431048 344390578 /nfs/dbraw/zinc/39/05/78/344390578.db2.gz UZTUXQRLJCJMPW-ZJUUUORDSA-N 1 0 265.353 2.227 10 0 CEAERO [NH3+]C1CCC(c2cnc3cnc4[nH]ccc4n32)CC1 ZINC000149512910 344415037 /nfs/dbraw/zinc/41/50/37/344415037.db2.gz MTPAUQAHSCNBRG-UHFFFAOYSA-N 1 0 255.325 2.196 10 0 CEAERO OC1(C[NH2+][C@@H]2CCSc3c(F)cccc32)CCOCC1 ZINC000162590820 344468140 /nfs/dbraw/zinc/46/81/40/344468140.db2.gz BUMOREMNKUDJKX-CYBMUJFWSA-N 1 0 297.395 2.494 10 0 CEAERO C[C@@H]1C[C@H]1[C@H]([NH3+])Cc1cncc(Br)c1 ZINC000163883025 344471506 /nfs/dbraw/zinc/47/15/06/344471506.db2.gz MBZUPBBKFVSSSR-AVPPRXQKSA-N 1 0 255.159 2.370 10 0 CEAERO C[NH2+]Cc1cc(Br)cnc1NC1CC1 ZINC000166347480 344476086 /nfs/dbraw/zinc/47/60/86/344476086.db2.gz BZWYCJLVHMQRBW-UHFFFAOYSA-N 1 0 256.147 2.138 10 0 CEAERO O=C(c1occc1Br)[C@@H]1CCC[NH2+]C1 ZINC000167722662 344479199 /nfs/dbraw/zinc/47/91/99/344479199.db2.gz NKIFVVOPQNRYQV-SSDOTTSWSA-N 1 0 258.115 2.224 10 0 CEAERO C[NH+](C)[C@H]1CCN(C(=O)NCCC2=CCCCC2)C1 ZINC000170861334 344492116 /nfs/dbraw/zinc/49/21/16/344492116.db2.gz FJZCLYSDBOBHIP-AWEZNQCLSA-N 1 0 265.401 2.222 10 0 CEAERO Cc1ccc2ccc(N3CC[NH2+][C@H](C(C)C)C3)nc2n1 ZINC000217851279 344535759 /nfs/dbraw/zinc/53/57/59/344535759.db2.gz LCOQFOFKJHJONM-AWEZNQCLSA-N 1 0 270.380 2.372 10 0 CEAERO [O-][N+]1=C(c2cc3ccccc3o2)C=[N+](O)[C@H]2CCCC[C@@H]21 ZINC000225405206 344545195 /nfs/dbraw/zinc/54/51/95/344545195.db2.gz YZVDZNRXOFZKOJ-STQMWFEESA-N 1 0 286.331 2.421 10 0 CEAERO CN1CC[C@H](C[NH3+])[C@@H]1c1sccc1Br ZINC000228020561 344558121 /nfs/dbraw/zinc/55/81/21/344558121.db2.gz NBMKBZCHEUOFEM-VXNVDRBHSA-N 1 0 275.215 2.462 10 0 CEAERO C[C@@H]([NH3+])C[S@@](=O)c1c(Cl)cccc1Cl ZINC000227966973 344558215 /nfs/dbraw/zinc/55/82/15/344558215.db2.gz YMKKHKGBGFTXNS-RWBAJPLHSA-N 1 0 252.166 2.448 10 0 CEAERO C[C@H]1CN(C(=O)c2cc3sccc3s2)C[C@H]1[NH3+] ZINC000235689435 344592472 /nfs/dbraw/zinc/59/24/72/344592472.db2.gz DGUSUZMPWIZIPZ-JGVFFNPUSA-N 1 0 266.391 2.382 10 0 CEAERO O[C@H](c1cscc1Br)[C@H]1CCC[NH2+]1 ZINC000236545579 344596129 /nfs/dbraw/zinc/59/61/29/344596129.db2.gz OMDUUPMDFPQPDG-RKDXNWHRSA-N 1 0 262.172 2.296 10 0 CEAERO Brc1ccc(NC[C@H]2CCC[NH2+]2)cn1 ZINC000232483111 344578153 /nfs/dbraw/zinc/57/81/53/344578153.db2.gz OAMAGGRYJADHTD-MRVPVSSYSA-N 1 0 256.147 2.008 10 0 CEAERO CN(CC(F)F)c1c(N)c[nH+]cc1Br ZINC000234286010 344584276 /nfs/dbraw/zinc/58/42/76/344584276.db2.gz ONYCWLKWIAKQCV-UHFFFAOYSA-N 1 0 266.089 2.128 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCCNC1=O)c1cccc(Br)c1 ZINC000050394411 362418184 /nfs/dbraw/zinc/41/81/84/362418184.db2.gz RJJDWDDCGXCURX-JOYOIKCWSA-N 1 0 297.196 2.378 10 0 CEAERO C[C@H]([NH2+][C@H]1CCCNC1=O)C12CC3CC(CC(C3)C1)C2 ZINC000050394505 362418422 /nfs/dbraw/zinc/41/84/22/362418422.db2.gz OKIVFPQXKPPWGX-INRQWTSDSA-N 1 0 276.424 2.460 10 0 CEAERO CCS[C@@H]1CCC[C@H](NC(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000262616471 344654997 /nfs/dbraw/zinc/65/49/97/344654997.db2.gz GOZSRJLMVHMXTP-ZDEQEGDKSA-N 1 0 270.442 2.294 10 0 CEAERO CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000262643035 344655378 /nfs/dbraw/zinc/65/53/78/344655378.db2.gz PVWWSODFALGNQM-RFQIPJPRSA-N 1 0 282.428 2.071 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@H](C)c2ccc(F)cc2F)C1 ZINC000252966878 344642745 /nfs/dbraw/zinc/64/27/45/344642745.db2.gz SZUKBQHNOQOXKP-DGCLKSJQSA-N 1 0 284.350 2.336 10 0 CEAERO C[C@@H]1CCN(c2ncnc3ccccc32)C[C@H]1C[NH3+] ZINC000253177685 344643574 /nfs/dbraw/zinc/64/35/74/344643574.db2.gz BCCAUQHDNSVZSA-VXGBXAGGSA-N 1 0 256.353 2.051 10 0 CEAERO CSC[C@H](C)C[NH2+]CCNCc1ccccc1 ZINC000307167417 344720243 /nfs/dbraw/zinc/72/02/43/344720243.db2.gz RNTNALXHWMMXMD-CYBMUJFWSA-N 1 0 252.427 2.365 10 0 CEAERO C[NH2+][C@H](C)C(=O)NCc1ccccc1OCc1ccccc1 ZINC000309838136 344729843 /nfs/dbraw/zinc/72/98/43/344729843.db2.gz VARBWRNCYWDZBR-CQSZACIVSA-N 1 0 298.386 2.490 10 0 CEAERO [NH3+][C@@H](C[C@@H]1CCOC1)c1ccc(Br)o1 ZINC000306591808 344715279 /nfs/dbraw/zinc/71/52/79/344715279.db2.gz VUSOKYSSVQNKEI-YUMQZZPRSA-N 1 0 260.131 2.469 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](CCN2C(=O)c3ccccc3C2=O)[C@@H](C)C1 ZINC000306610365 344715668 /nfs/dbraw/zinc/71/56/68/344715668.db2.gz KWSCHSPYDOKMFV-HUBLWGQQSA-N 1 0 286.375 2.307 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1OCc1coc(Br)c1 ZINC000306676511 344716264 /nfs/dbraw/zinc/71/62/64/344716264.db2.gz WHBFVPBSFYJYLN-DTWKUNHWSA-N 1 0 260.131 2.439 10 0 CEAERO Cn1ncc([C@@H]([NH3+])C2CCCC2)c1Br ZINC000306805766 344717402 /nfs/dbraw/zinc/71/74/02/344717402.db2.gz IFGKGEICQYMGDO-VIFPVBQESA-N 1 0 258.163 2.373 10 0 CEAERO CC1(C(=O)c2cscc2Br)C[NH2+]C1 ZINC000306873101 344718547 /nfs/dbraw/zinc/71/85/47/344718547.db2.gz WSPNLZDTYLLTPR-UHFFFAOYSA-N 1 0 260.156 2.303 10 0 CEAERO CCc1ccc(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)o1 ZINC000328633724 344757361 /nfs/dbraw/zinc/75/73/61/344757361.db2.gz MFJWZNNFQIDXHX-LLVKDONJSA-N 1 0 262.353 2.199 10 0 CEAERO CCn1cnnc1[C@H]1C[N@H+](C[C@H]2CC=CCC2)CCO1 ZINC000328641742 344757582 /nfs/dbraw/zinc/75/75/82/344757582.db2.gz QTZVBBAWQOZKAU-UONOGXRCSA-N 1 0 276.384 2.028 10 0 CEAERO Cc1cccc(CN2CCO[C@H](C[NH+](C)C)C2)c1C ZINC000128235906 187359326 /nfs/dbraw/zinc/35/93/26/187359326.db2.gz LRIVIFFURCJYGX-MRXNPFEDSA-N 1 0 262.397 2.066 10 0 CEAERO COc1cc(N[C@@H]2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1C ZINC000382468729 344826056 /nfs/dbraw/zinc/82/60/56/344826056.db2.gz OJKZKLBKARTVCR-WDEREUQCSA-N 1 0 279.340 2.451 10 0 CEAERO CC1(C)CCC(C[N@@H+]2CC[C@H]3OCCN[C@H]3C2)CC1 ZINC000404188275 344878398 /nfs/dbraw/zinc/87/83/98/344878398.db2.gz GRINXYNDHWNVHM-LSDHHAIUSA-N 1 0 266.429 2.266 10 0 CEAERO Fc1ccc(CN2CC[C@H]3OCC[NH2+][C@H]3C2)c(Cl)c1 ZINC000404288774 344879570 /nfs/dbraw/zinc/87/95/70/344879570.db2.gz ZBRXOPMTBANROM-UONOGXRCSA-N 1 0 284.762 2.042 10 0 CEAERO CC[NH2+][C@@H](C)CC[S@](=O)c1ccc(OC)cc1 ZINC000084002696 178770197 /nfs/dbraw/zinc/77/01/97/178770197.db2.gz BRROHELTBQVLAD-APPDUMDISA-N 1 0 255.383 2.191 10 0 CEAERO CC(C)(C)OC(=O)NC[C@H]1C[NH2+]CC[C@@H]1C(F)(F)F ZINC000521399020 344928141 /nfs/dbraw/zinc/92/81/41/344928141.db2.gz QYQCZITWJGCWFA-BDAKNGLRSA-N 1 0 282.306 2.299 10 0 CEAERO OCCOCCC[NH2+]CCNc1cccc2ccccc21 ZINC000584602985 344962839 /nfs/dbraw/zinc/96/28/39/344962839.db2.gz HWKOHJQIUUOZMX-UHFFFAOYSA-N 1 0 288.391 2.240 10 0 CEAERO CN1c2ccccc2-c2cc(F)ccc2[C@H]([NH3+])C1=O ZINC000584640258 344971630 /nfs/dbraw/zinc/97/16/30/344971630.db2.gz UMXGBQXFGUHKEE-AWEZNQCLSA-N 1 0 256.280 2.469 10 0 CEAERO CCN1CC[C@H]2C[N@H+](Cc3ccccc3)CCN2C1=O ZINC000584640005 344972108 /nfs/dbraw/zinc/97/21/08/344972108.db2.gz ATVGUPCMRWDSFY-HNNXBMFYSA-N 1 0 273.380 2.018 10 0 CEAERO CC[C@@H]1[C@H]([NH2+]C)c2cc(C)c(C)cc2S1(=O)=O ZINC000084119059 178795875 /nfs/dbraw/zinc/79/58/75/178795875.db2.gz WBHKVAJBCJCURL-DGCLKSJQSA-N 1 0 253.367 2.130 10 0 CEAERO CC[NH2+][C@H](C)c1cccc(SC[C@@H](O)COC)c1 ZINC000084125940 178798850 /nfs/dbraw/zinc/79/88/50/178798850.db2.gz OWEJSXMAECNMDR-YPMHNXCESA-N 1 0 269.410 2.457 10 0 CEAERO Clc1cc(Br)cc(NC2=[NH+]CCN2)c1 ZINC000306313027 539440119 /nfs/dbraw/zinc/44/01/19/539440119.db2.gz XBRXRRASXIWLJC-UHFFFAOYSA-N 1 0 274.549 2.474 10 0 CEAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1ccccc1-n1ccnc1 ZINC000054306449 362525462 /nfs/dbraw/zinc/52/54/62/362525462.db2.gz SLHRWIXESITMEJ-ZDUSSCGKSA-N 1 0 284.363 2.201 10 0 CEAERO C[C@@H](NC(=O)CC1([NH3+])CCCCC1)c1nccs1 ZINC000084187746 178820580 /nfs/dbraw/zinc/82/05/80/178820580.db2.gz BKJCDMUYDREXGV-SNVBAGLBSA-N 1 0 267.398 2.372 10 0 CEAERO CCc1ccccc1CN1CCC[C@@H]([NH2+]C2CC2)C1=O ZINC000084208663 178826089 /nfs/dbraw/zinc/82/60/89/178826089.db2.gz UWVMVTNWTFSAGI-MRXNPFEDSA-N 1 0 272.392 2.492 10 0 CEAERO CCOc1ccc([C@H](C[C@@H]2CCS(=O)(=O)C2)[NH2+]C)cc1 ZINC000097075920 185522736 /nfs/dbraw/zinc/52/27/36/185522736.db2.gz XJLAWUCDNNWTBL-WFASDCNBSA-N 1 0 297.420 2.171 10 0 CEAERO C[NH2+][C@H](C)[C@@H](C)Cc1c(Br)c(C)nn1C ZINC000084271737 178838262 /nfs/dbraw/zinc/83/82/62/178838262.db2.gz MNDPCHKONCKLPW-JGVFFNPUSA-N 1 0 274.206 2.278 10 0 CEAERO COc1cccc(Cc2noc([C@@H]3CC[C@@H]([NH3+])C3)n2)c1 ZINC000097067987 185520962 /nfs/dbraw/zinc/52/09/62/185520962.db2.gz GAUAIERQOWRSNA-VXGBXAGGSA-N 1 0 273.336 2.264 10 0 CEAERO CC[C@H](O)CC[NH2+][C@H]1CCN(CCc2ccccc2)C1 ZINC000127393127 187302031 /nfs/dbraw/zinc/30/20/31/187302031.db2.gz MTZHQEFBUMZDQH-IRXDYDNUSA-N 1 0 276.424 2.054 10 0 CEAERO Cc1noc(-c2ccccc2NC(=O)[C@H]2CC[C@@H]([NH3+])C2)n1 ZINC000097093764 185529090 /nfs/dbraw/zinc/52/90/90/185529090.db2.gz QYGPWLQPRULBPL-WDEREUQCSA-N 1 0 286.335 2.111 10 0 CEAERO CC[NH2+][C@H](C)Cc1c(Br)c(CC)nn1C ZINC000084295852 178848674 /nfs/dbraw/zinc/84/86/74/178848674.db2.gz KYGQBEDZOCUSEN-MRVPVSSYSA-N 1 0 274.206 2.286 10 0 CEAERO CCN[C@@](C)(C[C@H](C)[N@H+](C)CCC(C)C)C(=O)OC ZINC000084349828 178863383 /nfs/dbraw/zinc/86/33/83/178863383.db2.gz YOAOMJRTQNNWHM-ZFWWWQNUSA-N 1 0 272.433 2.284 10 0 CEAERO C[C@@H]([NH3+])C[C@@H](C)Sc1nnc2n1CCCCC2 ZINC000084361046 178869551 /nfs/dbraw/zinc/86/95/51/178869551.db2.gz JNXAXUIBACPKSE-NXEZZACHSA-N 1 0 254.403 2.222 10 0 CEAERO C[NH2+][C@@H]1CC[C@H](Sc2nnc3n2CCCCC3)C1 ZINC000084435377 178888312 /nfs/dbraw/zinc/88/83/12/178888312.db2.gz IBWYTJKWDZYYLX-MNOVXSKESA-N 1 0 266.414 2.237 10 0 CEAERO [NH3+][C@H]1CCC[C@H](Sc2nnnn2C2CCCC2)C1 ZINC000084431328 178886549 /nfs/dbraw/zinc/88/65/49/178886549.db2.gz ZTTXDRXVSWTEKJ-ONGXEEELSA-N 1 0 267.402 2.150 10 0 CEAERO CC[NH2+][C@H](c1ccnn1C)[C@H]1OCCc2ccccc21 ZINC000097187208 185557217 /nfs/dbraw/zinc/55/72/17/185557217.db2.gz UIJUIJCFYCJNNX-CVEARBPZSA-N 1 0 271.364 2.385 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CCC(C)C)C1 ZINC000057869643 362598112 /nfs/dbraw/zinc/59/81/12/362598112.db2.gz TYICCHSXESMYGK-CYBMUJFWSA-N 1 0 255.406 2.158 10 0 CEAERO Cc1ccc(O)c(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000155440127 232233189 /nfs/dbraw/zinc/23/31/89/232233189.db2.gz YPTJWHDBPDEHCN-JSGCOSHPSA-N 1 0 276.380 2.159 10 0 CEAERO CCC[NH2+][C@@H](CCCOCC)Cc1ncnn1CCC ZINC000097282162 185579390 /nfs/dbraw/zinc/57/93/90/185579390.db2.gz ALZVOASPGABEKW-AWEZNQCLSA-N 1 0 282.432 2.416 10 0 CEAERO CCn1ccnc1C[C@H]([NH3+])[C@H]1Cc2ccccc2S1 ZINC000097304486 185580974 /nfs/dbraw/zinc/58/09/74/185580974.db2.gz JXCLCJZCLMANFU-GXTWGEPZSA-N 1 0 273.405 2.490 10 0 CEAERO Cn1ncnc1C[C@@H]([NH3+])c1cc2cc(F)ccc2s1 ZINC000097275157 185576049 /nfs/dbraw/zinc/57/60/49/185576049.db2.gz HUNCRAOEGZIKFX-SNVBAGLBSA-N 1 0 276.340 2.411 10 0 CEAERO Cn1ncnc1C[C@H]([NH3+])[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000097275430 185576440 /nfs/dbraw/zinc/57/64/40/185576440.db2.gz LCCXMOXCTRXKMQ-UTLUCORTSA-N 1 0 276.306 2.054 10 0 CEAERO CCn1nc(C)c(Cl)c1C[C@@H]([NH3+])c1snnc1C ZINC000097276675 185576948 /nfs/dbraw/zinc/57/69/48/185576948.db2.gz JGHZEMNCGOBKCT-MRVPVSSYSA-N 1 0 285.804 2.267 10 0 CEAERO CCOCC[C@H](Cc1cc(CC)nn1CC)[NH2+]C ZINC000097279834 185578144 /nfs/dbraw/zinc/57/81/44/185578144.db2.gz XKUQAXXXUBCBKG-CYBMUJFWSA-N 1 0 253.390 2.023 10 0 CEAERO CCn1nc(C)cc1C[C@H]([NH2+]C)[C@@H]1CCSC1 ZINC000097281544 185578518 /nfs/dbraw/zinc/57/85/18/185578518.db2.gz GOOBGKUSYIVYIG-YPMHNXCESA-N 1 0 253.415 2.095 10 0 CEAERO CC[NH2+][C@H](c1ccnnc1)[C@H]1CCOC2(CCC2)C1 ZINC000097305976 185582795 /nfs/dbraw/zinc/58/27/95/185582795.db2.gz QUAUFHBMZYELKW-JSGCOSHPSA-N 1 0 261.369 2.477 10 0 CEAERO Cc1nn(C)c(C)c1C[C@H]([NH3+])[C@@H]1CCc2cccnc21 ZINC000097305632 185582900 /nfs/dbraw/zinc/58/29/00/185582900.db2.gz FEUYSGLTOZQGBS-ZFWWWQNUSA-N 1 0 270.380 2.032 10 0 CEAERO CCn1nccc1C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000128251297 187360495 /nfs/dbraw/zinc/36/04/95/187360495.db2.gz ISZLEJGPXABIGG-CQSZACIVSA-N 1 0 285.395 2.232 10 0 CEAERO CC[NH2+][C@H](Cc1ccn(C)n1)c1cccc2nccnc21 ZINC000097353536 185588125 /nfs/dbraw/zinc/58/81/25/185588125.db2.gz SFPHKXDBGBGIIL-OAHLLOKOSA-N 1 0 281.363 2.257 10 0 CEAERO CCOc1cncc([C@H]([NH2+]C)[C@H]2CCSC2)c1 ZINC000097381398 185594317 /nfs/dbraw/zinc/59/43/17/185594317.db2.gz VXXVOASWYIITNF-GXFFZTMASA-N 1 0 252.383 2.494 10 0 CEAERO C[C@@H]([NH3+])[C@](C)(CCO)CCc1ccc2c(c1)OCO2 ZINC000097434843 185603038 /nfs/dbraw/zinc/60/30/38/185603038.db2.gz PNKVJUPVVUUVCC-ABAIWWIYSA-N 1 0 265.353 2.084 10 0 CEAERO COC(=O)C[C@](C)(C[NH3+])c1ccc(Br)s1 ZINC000085112635 178951167 /nfs/dbraw/zinc/95/11/67/178951167.db2.gz MKULNRBOALLQPQ-SNVBAGLBSA-N 1 0 292.198 2.290 10 0 CEAERO CCOc1ccc([C@H](CC(=O)OC)C(C)(C)[NH3+])cc1 ZINC000097433574 185603327 /nfs/dbraw/zinc/60/33/27/185603327.db2.gz PNWURAGKTIVFOS-ZDUSSCGKSA-N 1 0 265.353 2.469 10 0 CEAERO C[C@@H]1CC[C@H](NC(=O)C2(C)CC[NH2+]CC2)C[C@@H]1C ZINC000085058797 178945347 /nfs/dbraw/zinc/94/53/47/178945347.db2.gz VOLVISOMGPBIGV-AGIUHOORSA-N 1 0 252.402 2.317 10 0 CEAERO COC(=O)C[C@@](C)(C[NH3+])CCc1ccc(OC)cc1 ZINC000097430355 185601319 /nfs/dbraw/zinc/60/13/19/185601319.db2.gz PIJYPTKKDMVHGL-HNNXBMFYSA-N 1 0 265.353 2.156 10 0 CEAERO O=S1(=O)CC[C@@H](C[NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC000085133535 178954533 /nfs/dbraw/zinc/95/45/33/178954533.db2.gz PXIWWRMSYDRDKW-GARJFASQSA-N 1 0 299.358 2.132 10 0 CEAERO C[C@H](CCO)Sc1cc(Cl)ccc1C(N)=[NH2+] ZINC000085144216 178955187 /nfs/dbraw/zinc/95/51/87/178955187.db2.gz AFMMQHJSJNGVPT-SSDOTTSWSA-N 1 0 258.774 2.487 10 0 CEAERO [NH3+]CC1CCC(C(=O)N2C[C@@H]3CCC[C@@H]3C2)CC1 ZINC000097467102 185611602 /nfs/dbraw/zinc/61/16/02/185611602.db2.gz SLWLTHLPCTYVFM-LLZFXZEUSA-N 1 0 250.386 2.010 10 0 CEAERO CCC[NH2+][C@](C)(CO)CN1CCC2(CCCC2)CC1 ZINC000085212662 178976180 /nfs/dbraw/zinc/97/61/80/178976180.db2.gz JIOWZYQQUPWLLW-HNNXBMFYSA-N 1 0 268.445 2.393 10 0 CEAERO CCCCN(C[C@](CO)([NH2+]CCC)C1CC1)C1CC1 ZINC000085242206 178983893 /nfs/dbraw/zinc/98/38/93/178983893.db2.gz PWLUJBSTDLTHBJ-MRXNPFEDSA-N 1 0 268.445 2.392 10 0 CEAERO Clc1ccc(OCCN2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000178628890 232376304 /nfs/dbraw/zinc/37/63/04/232376304.db2.gz KDWCTFVUYFDGSB-CQSZACIVSA-N 1 0 280.799 2.499 10 0 CEAERO CC(C)[NH2+][C@](CO)(CN(C)CC(C)(C)C)C1CC1 ZINC000085243314 178986210 /nfs/dbraw/zinc/98/62/10/178986210.db2.gz WEMTYLPYIPEBMP-HNNXBMFYSA-N 1 0 256.434 2.103 10 0 CEAERO CC[NH2+][C@](C)(CO)CCN(C)c1ccc(F)cc1 ZINC000085214369 178978911 /nfs/dbraw/zinc/97/89/11/178978911.db2.gz CFJUKOMLKNMRMQ-AWEZNQCLSA-N 1 0 254.349 2.013 10 0 CEAERO CCc1ccc([C@@H](C)[NH2+]CCCNS(=O)(=O)CC)cc1 ZINC000127566312 187316041 /nfs/dbraw/zinc/31/60/41/187316041.db2.gz RORFMCVIKHDHNE-CYBMUJFWSA-N 1 0 298.452 2.229 10 0 CEAERO CCN(C(=O)CSCC(C)(C)[NH3+])C1=CCCC1 ZINC000097546905 185625794 /nfs/dbraw/zinc/62/57/94/185625794.db2.gz BPQXZVGOSZVMTI-UHFFFAOYSA-N 1 0 256.415 2.373 10 0 CEAERO C[NH2+]C1CCN(c2cccc(Br)n2)CC1 ZINC000095071524 136515785 /nfs/dbraw/zinc/51/57/85/136515785.db2.gz ZWKBHLDDRYDQSX-UHFFFAOYSA-N 1 0 270.174 2.032 10 0 CEAERO CC[C@](C)([C@@H](Cc1cc(Cl)ccc1OC)NN)[NH+](C)C ZINC000097583110 185631167 /nfs/dbraw/zinc/63/11/67/185631167.db2.gz QLAQGQXAYQBYAR-HUUCEWRRSA-N 1 0 299.846 2.453 10 0 CEAERO C[C@@H](c1ccccc1Br)N(C)C1C[NH2+]C1 ZINC000085257234 178990025 /nfs/dbraw/zinc/99/00/25/178990025.db2.gz YAFDWJGYWRDBHP-VIFPVBQESA-N 1 0 269.186 2.414 10 0 CEAERO C[C@@]([NH3+])(CO)COc1ccccc1-c1ccccc1 ZINC000085283126 179000686 /nfs/dbraw/zinc/00/06/86/179000686.db2.gz XHQDBZCUOIZUGB-MRXNPFEDSA-N 1 0 257.333 2.442 10 0 CEAERO Cc1cccc(C)c1OC[C@](C)(CO)[NH2+]C(C)C ZINC000085283200 179000776 /nfs/dbraw/zinc/00/07/76/179000776.db2.gz PPUJDLOVKHXLCV-HNNXBMFYSA-N 1 0 251.370 2.431 10 0 CEAERO CC(C)(C)c1ccccc1OC[C@@H](CO)[NH2+]C1CC1 ZINC000085283293 179000843 /nfs/dbraw/zinc/00/08/43/179000843.db2.gz RWJIPPIFGHNTHI-CYBMUJFWSA-N 1 0 263.381 2.476 10 0 CEAERO CC[NH2+][C@@](C)(CO)CCOc1ccc(OCC)cc1 ZINC000085283382 179001570 /nfs/dbraw/zinc/00/15/70/179001570.db2.gz CZTIOCKUKBNYGR-OAHLLOKOSA-N 1 0 267.369 2.215 10 0 CEAERO CC[NH2+][C@@](CO)(COc1ccc(CC)cc1)C1CC1 ZINC000085284065 179002261 /nfs/dbraw/zinc/00/22/61/179002261.db2.gz NESUGHRIBQOUEU-INIZCTEOSA-N 1 0 263.381 2.378 10 0 CEAERO CCc1ccc(O[C@H](C)C[C@](C)(CO)[NH2+]C)cc1 ZINC000085284101 179002427 /nfs/dbraw/zinc/00/24/27/179002427.db2.gz ROBIVYBSLMSSEF-IUODEOHRSA-N 1 0 251.370 2.377 10 0 CEAERO CCC[NH2+][C@@](C)(CO)COc1cccc(CC)c1 ZINC000085270356 178998732 /nfs/dbraw/zinc/99/87/32/178998732.db2.gz KWZXNGYHQGIGME-HNNXBMFYSA-N 1 0 251.370 2.378 10 0 CEAERO CCC[NH2+][C@](C)(CO)COc1ccc(F)c(F)c1 ZINC000085286801 179004796 /nfs/dbraw/zinc/00/47/96/179004796.db2.gz PPNWSUURJHXFSV-CYBMUJFWSA-N 1 0 259.296 2.094 10 0 CEAERO Cc1ccnc(SCCC[C@](C)(CO)[NH2+]C(C)C)n1 ZINC000085287785 179004836 /nfs/dbraw/zinc/00/48/36/179004836.db2.gz RVDLZSHKGZVUIO-CQSZACIVSA-N 1 0 283.441 2.406 10 0 CEAERO CCC[NH2+][C@H](CO)CSc1nc2cc(C)ccc2[nH]1 ZINC000085288312 179005493 /nfs/dbraw/zinc/00/54/93/179005493.db2.gz DVBWAQPHBFFYKU-LLVKDONJSA-N 1 0 279.409 2.324 10 0 CEAERO COCCCSCCC[C@@](C)(CO)[NH2+]C(C)C ZINC000085289970 179006137 /nfs/dbraw/zinc/00/61/37/179006137.db2.gz QPPAJKNGZSOJFD-ZDUSSCGKSA-N 1 0 263.447 2.285 10 0 CEAERO CCC[NH2+][C@](C)(CO)C[C@H](C)SC1CCOCC1 ZINC000085290214 179006566 /nfs/dbraw/zinc/00/65/66/179006566.db2.gz YHYDQJUPPHZBNZ-JSGCOSHPSA-N 1 0 275.458 2.428 10 0 CEAERO CC(C)[NH2+][C@](CO)(CSC1CCOCC1)C1CC1 ZINC000085290161 179006832 /nfs/dbraw/zinc/00/68/32/179006832.db2.gz GFNYQIVFAFNJQX-CQSZACIVSA-N 1 0 273.442 2.038 10 0 CEAERO CC[NH2+]Cc1ccnc(N2CCSC[C@H]2C)c1F ZINC000097878953 136523096 /nfs/dbraw/zinc/52/30/96/136523096.db2.gz JCCXMZVPDGJXEG-SNVBAGLBSA-N 1 0 269.389 2.272 10 0 CEAERO CCC[NH2+][C@H](CO)CSc1ccc(OC)cc1 ZINC000085291923 179007487 /nfs/dbraw/zinc/00/74/87/179007487.db2.gz HQYYSDAHWMXKGA-LLVKDONJSA-N 1 0 255.383 2.148 10 0 CEAERO CCC[NH2+][C@](C)(CO)C[C@H](C)Sc1nnc(C)s1 ZINC000085297129 179008243 /nfs/dbraw/zinc/00/82/43/179008243.db2.gz ALSSDIPKBNYIFY-CABZTGNLSA-N 1 0 289.470 2.468 10 0 CEAERO C[NH2+][C@@](C)(CO)CCCCSc1nnc(C)s1 ZINC000085297096 179008554 /nfs/dbraw/zinc/00/85/54/179008554.db2.gz JGCWFJKNXCLWCR-LLVKDONJSA-N 1 0 275.443 2.079 10 0 CEAERO CCC[NH2+][C@](C)(CO)C[C@@H](C)Sc1ncccn1 ZINC000085292823 179008722 /nfs/dbraw/zinc/00/87/22/179008722.db2.gz XQPNLPSCVHHRMA-YPMHNXCESA-N 1 0 269.414 2.098 10 0 CEAERO C[C@@]([NH3+])(CO)CCSc1nc2ccccc2s1 ZINC000085298758 179009088 /nfs/dbraw/zinc/00/90/88/179009088.db2.gz KKSYEYXZCJTISQ-LBPRGKRZSA-N 1 0 268.407 2.488 10 0 CEAERO CCC[NH2+][C@@H](CO)CSc1ccc(F)c(F)c1 ZINC000085298086 179009181 /nfs/dbraw/zinc/00/91/81/179009181.db2.gz RJYUHIJTTXHNJI-VIFPVBQESA-N 1 0 261.337 2.417 10 0 CEAERO CC(C)[NH2+][C@@](C)(CO)CCCSc1cnn(C)c1 ZINC000085297613 179009516 /nfs/dbraw/zinc/00/95/16/179009516.db2.gz DNDUSKNGTHUDCA-CYBMUJFWSA-N 1 0 271.430 2.041 10 0 CEAERO CC[NH2+][C@](C)(CO)C[C@@H](C)Oc1ccc(F)cc1 ZINC000085285105 179003040 /nfs/dbraw/zinc/00/30/40/179003040.db2.gz IZSYEYUSCYWELJ-RISCZKNCSA-N 1 0 255.333 2.344 10 0 CEAERO Cc1cccc(OC[C@](O)(C[NH3+])c2ccccc2)c1 ZINC000085307032 179012436 /nfs/dbraw/zinc/01/24/36/179012436.db2.gz UPSICFKAWOJUMT-MRXNPFEDSA-N 1 0 257.333 2.220 10 0 CEAERO CC(C)(C)c1ccccc1OC[C@@](O)(C[NH3+])C1CC1 ZINC000085306489 179012462 /nfs/dbraw/zinc/01/24/62/179012462.db2.gz XENURQABEUMWIO-INIZCTEOSA-N 1 0 263.381 2.463 10 0 CEAERO Cc1ccc2cccc(OCC[C@@](C)(O)C[NH3+])c2n1 ZINC000085307556 179012802 /nfs/dbraw/zinc/01/28/02/179012802.db2.gz ZRRUXMWEZMJGLA-OAHLLOKOSA-N 1 0 260.337 2.022 10 0 CEAERO COc1cccc(S[C@@H](C)C[C@@](C)(O)C[NH3+])c1 ZINC000085308357 179013229 /nfs/dbraw/zinc/01/32/29/179013229.db2.gz JCSBDPDHRYFGDT-GXFFZTMASA-N 1 0 255.383 2.276 10 0 CEAERO COc1ccc(COC(=O)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000085331191 179020989 /nfs/dbraw/zinc/02/09/89/179020989.db2.gz GCLXITOSCAQBQP-KBPBESRZSA-N 1 0 263.337 2.256 10 0 CEAERO CSc1cccc(NC(=O)[C@H]2CCC[C@H]2[NH3+])c1 ZINC000085355249 179030322 /nfs/dbraw/zinc/03/03/22/179030322.db2.gz JYGRJGVGPWUIMF-NWDGAFQWSA-N 1 0 250.367 2.474 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)Nc1nc2ccccc2s1 ZINC000085357262 179030615 /nfs/dbraw/zinc/03/06/15/179030615.db2.gz BNXIADLIJIFJJZ-IUCAKERBSA-N 1 0 261.350 2.362 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)NCc1ccc(Cl)cc1 ZINC000085357620 179030656 /nfs/dbraw/zinc/03/06/56/179030656.db2.gz CXUORNUZSOJWNF-OLZOCXBDSA-N 1 0 266.772 2.474 10 0 CEAERO COC(=O)c1cc(F)ccc1NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085364886 179035936 /nfs/dbraw/zinc/03/59/36/179035936.db2.gz FZSIVPGEOQFWAC-PWSUYJOCSA-N 1 0 294.326 2.068 10 0 CEAERO COc1c(C)ccc(NC(=O)[C@H]2CCC[C@H]2[NH3+])c1C ZINC000085359557 179031836 /nfs/dbraw/zinc/03/18/36/179031836.db2.gz KMSHQDMFBSIIJN-NWDGAFQWSA-N 1 0 262.353 2.378 10 0 CEAERO CC1(C)Oc2ccc(NC(=O)[C@@H]3CCC[C@H]3[NH3+])cc2O1 ZINC000085360216 179032388 /nfs/dbraw/zinc/03/23/88/179032388.db2.gz JIQNZRIUYSMBHQ-GHMZBOCLSA-N 1 0 276.336 2.260 10 0 CEAERO COC(=O)c1cc(C)ccc1NC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085360438 179032426 /nfs/dbraw/zinc/03/24/26/179032426.db2.gz OWRLRYZDCQWCPN-DGCLKSJQSA-N 1 0 290.363 2.238 10 0 CEAERO COC(=O)c1cc(C)ccc1NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085360436 179032462 /nfs/dbraw/zinc/03/24/62/179032462.db2.gz OWRLRYZDCQWCPN-AAEUAGOBSA-N 1 0 290.363 2.238 10 0 CEAERO COC(=O)c1cc(C)ccc1NC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085360440 179032633 /nfs/dbraw/zinc/03/26/33/179032633.db2.gz OWRLRYZDCQWCPN-WCQYABFASA-N 1 0 290.363 2.238 10 0 CEAERO Cc1ccc(-c2nnco2)cc1NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085362061 179033370 /nfs/dbraw/zinc/03/33/70/179033370.db2.gz LWJOLMLVVMEDGI-NEPJUHHUSA-N 1 0 286.335 2.111 10 0 CEAERO CCOC(=O)Nc1ccc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000085362110 179033703 /nfs/dbraw/zinc/03/37/03/179033703.db2.gz YFKRQUIZVPKZKQ-STQMWFEESA-N 1 0 291.351 2.321 10 0 CEAERO COc1cc(Cl)c(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])cc1OC ZINC000085362340 179034286 /nfs/dbraw/zinc/03/42/86/179034286.db2.gz SUVVAVWIHIYMGI-SCZZXKLOSA-N 1 0 298.770 2.423 10 0 CEAERO C[N@H+](CCc1ccncc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000105909665 136528119 /nfs/dbraw/zinc/52/81/19/136528119.db2.gz HHWHDKJKCBWDNC-INIZCTEOSA-N 1 0 297.406 2.015 10 0 CEAERO CC[C@@H](c1ncc(Br)s1)N1CC[NH2+]CC1 ZINC000085352094 179029534 /nfs/dbraw/zinc/02/95/34/179029534.db2.gz XWOAXSYVTNMULW-QMMMGPOBSA-N 1 0 290.230 2.262 10 0 CEAERO CC(C)[C@@H]([NH3+])c1ncc(I)s1 ZINC000085351980 179029762 /nfs/dbraw/zinc/02/97/62/179029762.db2.gz OHGNITADTHLUJJ-ZCFIWIBFSA-N 1 0 282.150 2.404 10 0 CEAERO CC[C@@](C)([NH3+])c1ncc(I)s1 ZINC000085351994 179029796 /nfs/dbraw/zinc/02/97/96/179029796.db2.gz GUKWXHDRZWILED-SSDOTTSWSA-N 1 0 282.150 2.332 10 0 CEAERO COCCOc1ccc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000085364756 179035922 /nfs/dbraw/zinc/03/59/22/179035922.db2.gz JHGVBTKAIWULIF-GJZGRUSLSA-N 1 0 292.379 2.168 10 0 CEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000085367668 179037535 /nfs/dbraw/zinc/03/75/35/179037535.db2.gz BBOHVUGGYPCTAR-TZMCWYRMSA-N 1 0 283.375 2.180 10 0 CEAERO CN(CCOc1ccccc1F)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085367410 179037567 /nfs/dbraw/zinc/03/75/67/179037567.db2.gz NGFTWHYZTUVVIW-JSGCOSHPSA-N 1 0 294.370 2.180 10 0 CEAERO COCCN(Cc1cccs1)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085367560 179037608 /nfs/dbraw/zinc/03/76/08/179037608.db2.gz FFBUCMRMSAPKCV-KBPBESRZSA-N 1 0 296.436 2.241 10 0 CEAERO Cc1ccsc1CN(C)C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085367946 179037695 /nfs/dbraw/zinc/03/76/95/179037695.db2.gz AVNUSBVODREVDG-GHMZBOCLSA-N 1 0 252.383 2.142 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000085368095 179038264 /nfs/dbraw/zinc/03/82/64/179038264.db2.gz CUFZAZJYUOODEW-GJZGRUSLSA-N 1 0 276.355 2.444 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)N(Cc1cccs1)C1CC1 ZINC000085368031 179038290 /nfs/dbraw/zinc/03/82/90/179038290.db2.gz RNTZNAIQTNTZFN-STQMWFEESA-N 1 0 264.394 2.367 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)N(Cc1cccc(O)c1)C1CC1 ZINC000085369294 179039371 /nfs/dbraw/zinc/03/93/71/179039371.db2.gz ABQOIYAYHIWKDY-HZPDHXFCSA-N 1 0 288.391 2.401 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1cccc(-c2nnco2)c1 ZINC000085370998 179041436 /nfs/dbraw/zinc/04/14/36/179041436.db2.gz VZAMANNXGBIGDM-CHWSQXEVSA-N 1 0 286.335 2.193 10 0 CEAERO CCOC(=O)c1ccsc1NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085371608 179041697 /nfs/dbraw/zinc/04/16/97/179041697.db2.gz BZDBSGWOFPHTOX-KOLCDFICSA-N 1 0 296.392 2.381 10 0 CEAERO COc1ccccc1[C@@H](C)NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085371563 179041847 /nfs/dbraw/zinc/04/18/47/179041847.db2.gz BYHRDIABSGTJNS-BNOWGMLFSA-N 1 0 276.380 2.390 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)NCCc1cc(F)cc(F)c1 ZINC000085374233 179043444 /nfs/dbraw/zinc/04/34/44/179043444.db2.gz KBVZCEAPYOQVPW-KGLIPLIRSA-N 1 0 282.334 2.141 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)NCc1cc(F)ccc1F ZINC000085375629 179043977 /nfs/dbraw/zinc/04/39/77/179043977.db2.gz SEPDBRILVABYKZ-YPMHNXCESA-N 1 0 268.307 2.099 10 0 CEAERO CC(C)[C@H]1CCCN(C(=O)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085376168 179044433 /nfs/dbraw/zinc/04/44/33/179044433.db2.gz WREHSDCUKATMSD-IHRRRGAJSA-N 1 0 252.402 2.399 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C(C)C)N(C)C)C1(C)C ZINC000085380404 179045773 /nfs/dbraw/zinc/04/57/73/179045773.db2.gz VCZOOTQPBAUGQQ-BFHYXJOUSA-N 1 0 256.434 2.366 10 0 CEAERO COCCOc1cccc(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000085365862 179036319 /nfs/dbraw/zinc/03/63/19/179036319.db2.gz PZYCDLBPJSLPBK-HUUCEWRRSA-N 1 0 292.379 2.168 10 0 CEAERO COCCOc1cccc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000085365861 179036582 /nfs/dbraw/zinc/03/65/82/179036582.db2.gz PZYCDLBPJSLPBK-GJZGRUSLSA-N 1 0 292.379 2.168 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+][C@@H](CN(C)C)C(C)C)C1(C)C ZINC000085397875 179050496 /nfs/dbraw/zinc/05/04/96/179050496.db2.gz WWEGHORDAXBGNS-MJBXVCDLSA-N 1 0 256.434 2.366 10 0 CEAERO CCOC(=O)CC[NH2+][C@H]1C[C@H](OCC(C)C)C1(C)C ZINC000085401488 179052323 /nfs/dbraw/zinc/05/23/23/179052323.db2.gz DFCYJPUNCJLSRF-STQMWFEESA-N 1 0 271.401 2.369 10 0 CEAERO C[C@H]([NH3+])c1ncn(Cc2ccc(F)cc2Cl)n1 ZINC000097832152 185672862 /nfs/dbraw/zinc/67/28/62/185672862.db2.gz HLTLWVVUDWHZTN-ZETCQYMHSA-N 1 0 254.696 2.139 10 0 CEAERO CC(=O)NCC[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000085433269 179060518 /nfs/dbraw/zinc/06/05/18/179060518.db2.gz UQJJWEAZLFLVNI-SECBINFHSA-N 1 0 263.366 2.083 10 0 CEAERO COc1ccc(C)cc1CN1CC[NH2+][C@H](C(C)C)C1 ZINC000085434745 179061244 /nfs/dbraw/zinc/06/12/44/179061244.db2.gz KFPVDAQSFAAVRW-HNNXBMFYSA-N 1 0 262.397 2.433 10 0 CEAERO CC[C@@H](C)n1ccc(CN2CC[NH2+]C(C)(C)C2)n1 ZINC000085435123 179062188 /nfs/dbraw/zinc/06/21/88/179062188.db2.gz NCZRLNYWYPWXNQ-GFCCVEGCSA-N 1 0 250.390 2.038 10 0 CEAERO CCn1cc(CN2C[C@@H](C(C)C)[NH2+]CC2(C)C)cn1 ZINC000085467593 179072279 /nfs/dbraw/zinc/07/22/79/179072279.db2.gz IDZADUMCLOHYPD-AWEZNQCLSA-N 1 0 264.417 2.111 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@H]1Nc1ncncc1Br ZINC000085467174 179072679 /nfs/dbraw/zinc/07/26/79/179072679.db2.gz LLQNZAAWJXLEON-WCBMZHEXSA-N 1 0 285.189 2.169 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@H](C(C)C)CN1Cc1ncccn1 ZINC000085450728 179064960 /nfs/dbraw/zinc/06/49/60/179064960.db2.gz ABYQFPKZQXPQSI-ZIAGYGMSSA-N 1 0 262.401 2.075 10 0 CEAERO CC[C@@H](C)[C@H]1CN(CCCOCC(F)(F)F)CC[NH2+]1 ZINC000085450008 179065121 /nfs/dbraw/zinc/06/51/21/179065121.db2.gz YDUMNWLXEBATLJ-VXGBXAGGSA-N 1 0 282.350 2.275 10 0 CEAERO CC[C@H](C)[C@H]1C[N@@H+]([C@@H]2CCC[C@H](OC)C2)CCN1 ZINC000085449991 179065234 /nfs/dbraw/zinc/06/52/34/179065234.db2.gz SXXRLCHUUXBVGE-LJISPDSOSA-N 1 0 254.418 2.264 10 0 CEAERO Fc1ccc(F)c(CN2CC[NH2+]C[C@H]2C2CC2)c1 ZINC000085451370 179065914 /nfs/dbraw/zinc/06/59/14/179065914.db2.gz WSZGCTKQXDUIIL-AWEZNQCLSA-N 1 0 252.308 2.149 10 0 CEAERO C(C1CCOCC1)[N@@H+]1CCNC[C@H]1C1CCCCC1 ZINC000085452982 179067245 /nfs/dbraw/zinc/06/72/45/179067245.db2.gz NKATWEXTLKGWNY-INIZCTEOSA-N 1 0 266.429 2.267 10 0 CEAERO COC(CCC[NH3+])(OC)c1cn(C)c2ccccc12 ZINC000098130790 185691879 /nfs/dbraw/zinc/69/18/79/185691879.db2.gz ASSHKCVVZIQXIC-UHFFFAOYSA-N 1 0 262.353 2.363 10 0 CEAERO CC[C@H]1CN(CC(F)(F)F)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085475133 179078530 /nfs/dbraw/zinc/07/85/30/179078530.db2.gz RGMDSLZAZZNYLY-WDEREUQCSA-N 1 0 250.308 2.401 10 0 CEAERO CCn1cc(CN2C[C@@H](C(C)(C)C)[NH2+]C[C@@H]2C)cn1 ZINC000085475300 179078788 /nfs/dbraw/zinc/07/87/88/179078788.db2.gz BZFUVNLDXRROEP-JSGCOSHPSA-N 1 0 264.417 2.111 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1Cc1cnn(C)c1 ZINC000085475608 179078998 /nfs/dbraw/zinc/07/89/98/179078998.db2.gz AGDKFLQDGQYEPJ-ZIAGYGMSSA-N 1 0 264.417 2.019 10 0 CEAERO CC[C@H](C)[C@H]1CN(Cc2cnn(C)c2)[C@@H](CC)C[NH2+]1 ZINC000085490956 179081262 /nfs/dbraw/zinc/08/12/62/179081262.db2.gz YOOADHADCGXFCO-AEGPPILISA-N 1 0 264.417 2.019 10 0 CEAERO CC[C@H](C)[C@@H]1C[N@H+](CCOC)[C@@H]([C@@H](C)CC)CN1 ZINC000085491799 179081455 /nfs/dbraw/zinc/08/14/55/179081455.db2.gz CWTZUFQBLREIIL-ZQDZILKHSA-N 1 0 256.434 2.367 10 0 CEAERO CC[C@H](C)[C@@H]1CN(CCOC)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085494105 179081736 /nfs/dbraw/zinc/08/17/36/179081736.db2.gz JSMWIMGOQVAKJC-AEGPPILISA-N 1 0 254.418 2.121 10 0 CEAERO CCn1cc(CN2CC(C)(C)[NH2+]C[C@@H]2C(C)C)cn1 ZINC000085469901 179075648 /nfs/dbraw/zinc/07/56/48/179075648.db2.gz CFMUJSDRDHKWFM-CQSZACIVSA-N 1 0 264.417 2.111 10 0 CEAERO CC1(C)C[N@H+](C[C@@H]2CCOC2)C2(CCCCC2)CN1 ZINC000085471523 179076189 /nfs/dbraw/zinc/07/61/89/179076189.db2.gz WHNJRWZNVNAISG-AWEZNQCLSA-N 1 0 266.429 2.410 10 0 CEAERO COCC[N@@H+]1CC(C)(C)NC[C@@H]1C1CCCCC1 ZINC000085470990 179076383 /nfs/dbraw/zinc/07/63/83/179076383.db2.gz YCRIUHXHTGYCMF-CQSZACIVSA-N 1 0 254.418 2.266 10 0 CEAERO CC[C@H](C)[C@H]1CN(Cc2ncccn2)C(C)(C)C[NH2+]1 ZINC000085492841 179082146 /nfs/dbraw/zinc/08/21/46/179082146.db2.gz CKSUEGOQCLMRAY-QWHCGFSZSA-N 1 0 262.401 2.075 10 0 CEAERO CC1(C)CN(Cc2ccncc2)[C@](C)(C2CC2)C[NH2+]1 ZINC000085471646 179076850 /nfs/dbraw/zinc/07/68/50/179076850.db2.gz NLGOPBOXWAWKTP-INIZCTEOSA-N 1 0 259.397 2.434 10 0 CEAERO CC[C@H]1CN[C@@](C)(C2CC2)C[N@@H+]1CC1CCOCC1 ZINC000085510847 179085431 /nfs/dbraw/zinc/08/54/31/179085431.db2.gz RNDTUPKHXQADIL-JKSUJKDBSA-N 1 0 266.429 2.266 10 0 CEAERO C[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1CCC(F)(F)F ZINC000085509137 179085507 /nfs/dbraw/zinc/08/55/07/179085507.db2.gz KMLMJTDEHSOBHE-MWLCHTKSSA-N 1 0 250.308 2.401 10 0 CEAERO CCC[C@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1cnn(C)c1 ZINC000085511954 179085529 /nfs/dbraw/zinc/08/55/29/179085529.db2.gz NEDNUZIYWLZPLW-HOTGVXAUSA-N 1 0 276.428 2.163 10 0 CEAERO CC[NH+](CC)[C@@H]1CCN(C[C@](C)(O)c2ccccc2)C1 ZINC000062967350 362737520 /nfs/dbraw/zinc/73/75/20/362737520.db2.gz MQZAPQYKADQTPE-SJORKVTESA-N 1 0 276.424 2.310 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@](C)(C2CC2)CN1Cc1cnn(C)c1 ZINC000085515423 179086363 /nfs/dbraw/zinc/08/63/63/179086363.db2.gz LNDQIVGKPNEZOH-HOTGVXAUSA-N 1 0 276.428 2.163 10 0 CEAERO CC1(C)C[NH2+][C@@](C)(C2CC2)CN1Cc1ccccn1 ZINC000085514562 179086406 /nfs/dbraw/zinc/08/64/06/179086406.db2.gz PZPOMCOAXZHFBD-MRXNPFEDSA-N 1 0 259.397 2.434 10 0 CEAERO CCC[C@H]1C[NH2+][C@H](C2CC2)CN1Cc1cnn(CC)c1 ZINC000085523617 179088616 /nfs/dbraw/zinc/08/86/16/179088616.db2.gz SYILQEXYQBNATH-HOTGVXAUSA-N 1 0 276.428 2.256 10 0 CEAERO CC1(C)CN[C@@](C)(C2CC2)C[N@@H+]1CCCn1ccnc1 ZINC000085514362 179086901 /nfs/dbraw/zinc/08/69/01/179086901.db2.gz MBKZBYOJFKJXCT-MRXNPFEDSA-N 1 0 276.428 2.126 10 0 CEAERO C[C@]1(C2CC2)CN(Cc2ncccn2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085516199 179087623 /nfs/dbraw/zinc/08/76/23/179087623.db2.gz MXSUNVRTPYBACR-IAGOWNOFSA-N 1 0 286.423 2.219 10 0 CEAERO CCC1(CC)CN[C@](C)(C2CC2)C[N@@H+]1CCOCCOC ZINC000085515596 179088171 /nfs/dbraw/zinc/08/81/71/179088171.db2.gz PMTSFOUPLHAWIN-INIZCTEOSA-N 1 0 298.471 2.282 10 0 CEAERO COc1cccc(CN2C[C@H](C3CC3)[NH2+]C[C@@H]2C(C)C)n1 ZINC000085524380 179088397 /nfs/dbraw/zinc/08/83/97/179088397.db2.gz PARIVZXQQGKXDY-HZPDHXFCSA-N 1 0 289.423 2.299 10 0 CEAERO CC[C@@H]1C[NH2+][C@@](C)(CC)CN1Cc1cnn(CC)c1 ZINC000085494666 179082626 /nfs/dbraw/zinc/08/26/26/179082626.db2.gz UOSRYOZGKZAJCH-CABCVRRESA-N 1 0 264.417 2.256 10 0 CEAERO COCCC[N@@H+]1CC2(CCCC2)NC[C@H]1C(C)C ZINC000085498023 179083173 /nfs/dbraw/zinc/08/31/73/179083173.db2.gz LKUHIRWZDBINEX-AWEZNQCLSA-N 1 0 254.418 2.266 10 0 CEAERO CCC[C@H]1CN[C@H](c2ccccc2)C[N@@H+]1CCOC ZINC000085505996 179084169 /nfs/dbraw/zinc/08/41/69/179084169.db2.gz ASBJMDMDNXXWOQ-HOTGVXAUSA-N 1 0 262.397 2.448 10 0 CEAERO CC[C@@H]1CN[C@H](C2CC2)C[N@@H+]1CCCOCC(F)(F)F ZINC000085522740 179088733 /nfs/dbraw/zinc/08/87/33/179088733.db2.gz UHPJYVRJOAEEKD-OLZOCXBDSA-N 1 0 294.361 2.418 10 0 CEAERO CC[C@@H]1C[NH2+][C@H](C2CC2)CN1Cc1ccn(C(C)C)n1 ZINC000085522750 179088952 /nfs/dbraw/zinc/08/89/52/179088952.db2.gz SQOLGAZZGWYULF-CVEARBPZSA-N 1 0 276.428 2.426 10 0 CEAERO Cc1nccn1CCN1C[C@H](C2CC2)[NH2+]C[C@@H]1C(C)(C)C ZINC000085526796 179089521 /nfs/dbraw/zinc/08/95/21/179089521.db2.gz KRXLDZSMZJXMAT-HZPDHXFCSA-N 1 0 290.455 2.290 10 0 CEAERO CC[C@@H](C)[C@H]1CN[C@H](C2CC2)C[N@@H+]1CCCOC ZINC000085524875 179089592 /nfs/dbraw/zinc/08/95/92/179089592.db2.gz IWQYWSNRPZVIJM-VHDGCEQUSA-N 1 0 254.418 2.121 10 0 CEAERO Cc1cccc(CSCC(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000602595924 347093213 /nfs/dbraw/zinc/09/32/13/347093213.db2.gz ZGOMNHAJYWDGLX-ZFWWWQNUSA-N 1 0 292.448 2.281 10 0 CEAERO C[C@@H]1C[NH2+][C@@](C)(c2ccccc2)CN1CC(F)F ZINC000085531600 179091412 /nfs/dbraw/zinc/09/14/12/179091412.db2.gz CHUHRFTYHJMDLN-BXUZGUMPSA-N 1 0 254.324 2.461 10 0 CEAERO Cc1ccc(F)c(O[C@H](c2cnn(C)c2)[C@@H](C)[NH3+])c1 ZINC000085533356 179091555 /nfs/dbraw/zinc/09/15/55/179091555.db2.gz UMJNMIYTFRZOIV-YGRLFVJLSA-N 1 0 263.316 2.335 10 0 CEAERO C[C@H]1CN[C@](C)(c2ccccc2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085531801 179092048 /nfs/dbraw/zinc/09/20/48/179092048.db2.gz DKYVOTKKDLCDIM-ZOBUZTSGSA-N 1 0 274.408 2.232 10 0 CEAERO CC[NH2+][C@@H]1CCOC[C@H]1Oc1cc(C)ccc1F ZINC000085554796 179093440 /nfs/dbraw/zinc/09/34/40/179093440.db2.gz NOMHLLAXQJCYCL-TZMCWYRMSA-N 1 0 253.317 2.280 10 0 CEAERO CCc1nc2c(n1CCc1ccc(F)cc1)CC[NH2+]C2 ZINC000085568507 179095003 /nfs/dbraw/zinc/09/50/03/179095003.db2.gz ZVUVKEGMNYWXNN-UHFFFAOYSA-N 1 0 273.355 2.473 10 0 CEAERO Cc1nc2c(n1-c1ccc(F)c(F)c1F)CC[NH2+]C2 ZINC000085568871 179095237 /nfs/dbraw/zinc/09/52/37/179095237.db2.gz IFQUDODKHWHXEI-UHFFFAOYSA-N 1 0 267.254 2.244 10 0 CEAERO CCOc1ccccc1-n1c(CC)nc2c1CC[NH2+]C2 ZINC000085568941 179095298 /nfs/dbraw/zinc/09/52/98/179095298.db2.gz FBEDDOGMGREKGT-UHFFFAOYSA-N 1 0 271.364 2.479 10 0 CEAERO FC(F)(F)c1nc2c(n1C[C@H]1CCCCO1)CC[NH2+]C2 ZINC000085572449 179096891 /nfs/dbraw/zinc/09/68/91/179096891.db2.gz GEISFAKHYIFLON-SECBINFHSA-N 1 0 289.301 2.117 10 0 CEAERO CC(C)c1nc2c(n1C[C@H]1CCCOC1)CC[NH2+]C2 ZINC000085573075 179098081 /nfs/dbraw/zinc/09/80/81/179098081.db2.gz JCHKYBGPRSYHOK-GFCCVEGCSA-N 1 0 263.385 2.079 10 0 CEAERO COC[C@@H](C)Cn1c2c(nc1C(C)(C)C)C[NH2+]CC2 ZINC000085573259 179098197 /nfs/dbraw/zinc/09/81/97/179098197.db2.gz WIPBAAGHKNSYGJ-NSHDSACASA-N 1 0 265.401 2.109 10 0 CEAERO C[C@H]1CC[NH2+][C@](C)(C2CC2)CN1Cc1ccccn1 ZINC000085623689 179107352 /nfs/dbraw/zinc/10/73/52/179107352.db2.gz MAHZFLRFMAHVOC-BBRMVZONSA-N 1 0 259.397 2.434 10 0 CEAERO CC[C@@H](C)[C@H]1CN(CCOCC(F)(F)F)CCC[NH2+]1 ZINC000085609103 179100871 /nfs/dbraw/zinc/10/08/71/179100871.db2.gz ARAHLUVEVXNLAT-VXGBXAGGSA-N 1 0 282.350 2.275 10 0 CEAERO CC(C)CCOCCN1CCC[NH2+][C@@H](C(C)C)C1 ZINC000085608145 179100894 /nfs/dbraw/zinc/10/08/94/179100894.db2.gz BLFIHQAWRWYIEM-OAHLLOKOSA-N 1 0 256.434 2.369 10 0 CEAERO c1cc(CCN2CCC[NH2+][C@H](C3CC3)C2)cs1 ZINC000085616157 179103791 /nfs/dbraw/zinc/10/37/91/179103791.db2.gz TWVOPBANVBXNTK-AWEZNQCLSA-N 1 0 250.411 2.365 10 0 CEAERO c1cnc(CN2CCC[NH2+][C@@H](C3CCCCC3)C2)nc1 ZINC000085615100 179103894 /nfs/dbraw/zinc/10/38/94/179103894.db2.gz MQKRKNOHWNBLNY-OAHLLOKOSA-N 1 0 274.412 2.221 10 0 CEAERO CC(C)[C@H]1CN(CCOCC(F)(F)F)[C@@H](C)CC[NH2+]1 ZINC000085617935 179104343 /nfs/dbraw/zinc/10/43/43/179104343.db2.gz LDVCRFKCVPHGOA-NWDGAFQWSA-N 1 0 282.350 2.274 10 0 CEAERO CCOCCN1C[C@@H](Cc2ccccc2)[NH2+]CC[C@@H]1C ZINC000085618736 179104670 /nfs/dbraw/zinc/10/46/70/179104670.db2.gz RVFBVJTZRNWEIK-DOTOQJQBSA-N 1 0 276.424 2.318 10 0 CEAERO Cc1cnc(C[NH2+][C@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cn1 ZINC000085676366 179112502 /nfs/dbraw/zinc/11/25/02/179112502.db2.gz QDRIBUOMGSCHMF-IHRRRGAJSA-N 1 0 261.369 2.078 10 0 CEAERO CN1CCCC[C@H]1C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085675783 179112692 /nfs/dbraw/zinc/11/26/92/179112692.db2.gz CYAVBGNVOLVDPR-XQLPTFJDSA-N 1 0 266.429 2.264 10 0 CEAERO C[C@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1nnc2ccccn21 ZINC000085632540 179108619 /nfs/dbraw/zinc/10/86/19/179108619.db2.gz JCOJKUOQHWRQAU-IMIFBBOLSA-N 1 0 286.379 2.193 10 0 CEAERO [NH3+]Cc1ccc(CN2c3ccccc3OCC2=O)cc1 ZINC000019283004 136576223 /nfs/dbraw/zinc/57/62/23/136576223.db2.gz ADVQJCMNPVFUMV-UHFFFAOYSA-N 1 0 268.316 2.071 10 0 CEAERO CN1CCN(Cc2ccccc2C(N)=[NH2+])c2ccccc21 ZINC000111460568 136561982 /nfs/dbraw/zinc/56/19/82/136561982.db2.gz QKLOUBXZJMSPGP-UHFFFAOYSA-N 1 0 280.375 2.427 10 0 CEAERO CC[C@H](C[NH3+])C(=O)Nc1ccc(Br)c(C)n1 ZINC000085729082 179132080 /nfs/dbraw/zinc/13/20/80/179132080.db2.gz VTFNVPWFJMUBAJ-MRVPVSSYSA-N 1 0 286.173 2.076 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]C[C@](C)(O)C2CC2)c1C ZINC000336817435 365861976 /nfs/dbraw/zinc/86/19/76/365861976.db2.gz QIDKLMYFTFEHPF-BMIGLBTASA-N 1 0 265.401 2.331 10 0 CEAERO C[NH2+][C@H](Cc1ccc(Br)cc1)CN(C)C ZINC000085798912 179173398 /nfs/dbraw/zinc/17/33/98/179173398.db2.gz PRAFULUJEZVAIX-GFCCVEGCSA-N 1 0 271.202 2.141 10 0 CEAERO [NH3+]Cc1ccccc1NS(=O)(=O)Cc1ccc(F)cc1 ZINC000085810615 179177948 /nfs/dbraw/zinc/17/79/48/179177948.db2.gz MKLPFMGMUSZJIA-UHFFFAOYSA-N 1 0 294.351 2.226 10 0 CEAERO CCC(CC)[C@H](NC(=O)[C@]1([NH3+])CCOC1)c1ccccc1 ZINC000085873763 179194240 /nfs/dbraw/zinc/19/42/40/179194240.db2.gz SHJZGLLPTXBROG-RDJZCZTQSA-N 1 0 290.407 2.398 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1CNC(=O)c1cc(F)c(F)c(F)c1 ZINC000085964677 179205679 /nfs/dbraw/zinc/20/56/79/179205679.db2.gz LMLIEGMPDMGHBA-PELKAZGASA-N 1 0 286.297 2.351 10 0 CEAERO Cc1cc(C(=O)NC[C@H]2CCCC[C@@H]2[NH3+])c(C)o1 ZINC000085967051 179206027 /nfs/dbraw/zinc/20/60/27/179206027.db2.gz QUAPMIWBXRSARG-YPMHNXCESA-N 1 0 250.342 2.144 10 0 CEAERO [NH3+][C@@H]1CCCC[C@H]1CNC(=O)NC1CCCCC1 ZINC000085970263 179206679 /nfs/dbraw/zinc/20/66/79/179206679.db2.gz IYEGGNQRVXJIPT-WCQYABFASA-N 1 0 253.390 2.136 10 0 CEAERO CS(=O)(=O)c1ccccc1NC[C@H]1CCCC[C@@H]1[NH3+] ZINC000085973988 179207635 /nfs/dbraw/zinc/20/76/35/179207635.db2.gz SFHMXAGOLOSYER-NEPJUHHUSA-N 1 0 282.409 2.020 10 0 CEAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000085974150 179208149 /nfs/dbraw/zinc/20/81/49/179208149.db2.gz GUEZGIOLPRLEQI-CHWSQXEVSA-N 1 0 263.337 2.056 10 0 CEAERO CCC(C)(C)c1ccc(O[C@@H](CO)[C@@H](C)[NH3+])cc1 ZINC000085919390 179199603 /nfs/dbraw/zinc/19/96/03/179199603.db2.gz XEIKYSDGVNUREE-RISCZKNCSA-N 1 0 251.370 2.461 10 0 CEAERO CCC[NH2+][C@@H](CCO)COc1cc(C)cc(C)c1 ZINC000085924615 179201266 /nfs/dbraw/zinc/20/12/66/179201266.db2.gz NZRVTAVCKKCLIB-AWEZNQCLSA-N 1 0 251.370 2.433 10 0 CEAERO CCC[NH2+][C@H](CCO)CN1CCC[C@H](C(C)C)CC1 ZINC000085923211 179201396 /nfs/dbraw/zinc/20/13/96/179201396.db2.gz JFQQPZRTNADSER-JKSUJKDBSA-N 1 0 270.461 2.495 10 0 CEAERO C[NH2+][C@@H](CCO)C[S@@](=O)c1cc(Cl)ccc1Cl ZINC000085926724 179202328 /nfs/dbraw/zinc/20/23/28/179202328.db2.gz CVXQWVONMAGLJP-XYZCENFISA-N 1 0 296.219 2.071 10 0 CEAERO Cc1cccc(NC(=O)C[NH2+]C[C@H]2CCCC[C@H]2O)c1 ZINC000085985795 179211396 /nfs/dbraw/zinc/21/13/96/179211396.db2.gz GBAQPAKQUTXXCE-UKRRQHHQSA-N 1 0 276.380 2.074 10 0 CEAERO C[C@H]1CN(c2ncc(Br)cc2C[NH3+])C[C@@H]1C ZINC000086012402 179214378 /nfs/dbraw/zinc/21/43/78/179214378.db2.gz SAOQCLKGZJFOCF-IUCAKERBSA-N 1 0 284.201 2.395 10 0 CEAERO CCC[NH2+][C@@H]1CC[C@H](Sc2n[nH]c(C)n2)[C@@H]1C ZINC000086046048 179223117 /nfs/dbraw/zinc/22/31/17/179223117.db2.gz GRSONMATZFUOAC-IEBDPFPHSA-N 1 0 254.403 2.372 10 0 CEAERO C[C@@H]1[C@@H](C)CC[C@@H]1NC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000086073940 179225160 /nfs/dbraw/zinc/22/51/60/179225160.db2.gz VHEUFQAMLORGDK-NEBZKDRISA-N 1 0 260.381 2.280 10 0 CEAERO C[C@@H]1[C@@H](C)CC[C@@H]1NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000086075938 179225921 /nfs/dbraw/zinc/22/59/21/179225921.db2.gz BPGHXTITUGMJOX-VZAMPYOESA-N 1 0 272.392 2.252 10 0 CEAERO C[NH2+][C@@H](c1cc(C)sc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000086020626 179218225 /nfs/dbraw/zinc/21/82/25/179218225.db2.gz VQKSHAPJVRXGKB-ZYHUDNBSSA-N 1 0 273.423 2.060 10 0 CEAERO CC[NH2+][C@@H]1CC[C@H](S(=O)(=O)c2ccccc2F)[C@@H]1C ZINC000086040720 179222147 /nfs/dbraw/zinc/22/21/47/179222147.db2.gz JSBROCIKCCNHHF-RTXFEEFZSA-N 1 0 285.384 2.376 10 0 CEAERO CCC[NH2+][C@H]1CC[C@@H](S(=O)(=O)[C@@H](C)CC)[C@@H]1C ZINC000086041263 179222286 /nfs/dbraw/zinc/22/22/86/179222286.db2.gz LJGACUIMKMZSJM-QNWHQSFQSA-N 1 0 261.431 2.366 10 0 CEAERO c1coc(CN2CC[NH2+][C@H](Cc3ccccc3)C2)c1 ZINC000086124606 179235451 /nfs/dbraw/zinc/23/54/51/179235451.db2.gz ZCYPGYBEUAEXNS-OAHLLOKOSA-N 1 0 256.349 2.296 10 0 CEAERO CC(C)[C@H](CO)[NH2+]Cc1ccc(Br)o1 ZINC000086121814 179235924 /nfs/dbraw/zinc/23/59/24/179235924.db2.gz BFQMNDMOTDMRPN-VIFPVBQESA-N 1 0 262.147 2.149 10 0 CEAERO CCC1(CC)CN(Cc2cnc(C)s2)CC[NH2+]1 ZINC000086144164 179237439 /nfs/dbraw/zinc/23/74/39/179237439.db2.gz FJSUBKCBPBFZDN-UHFFFAOYSA-N 1 0 253.415 2.416 10 0 CEAERO CC[C@H]1CC[C@@H](NC(=O)C[C@@H]2CCC[NH2+]C2)[C@@H]1C ZINC000086094188 179228688 /nfs/dbraw/zinc/22/86/88/179228688.db2.gz UFNADIGFJQJIAZ-ZOBORPQBSA-N 1 0 252.402 2.317 10 0 CEAERO CC[C@H]1CC[C@@H](NS(=O)(=O)c2cccc(C[NH3+])c2)[C@@H]1C ZINC000086091583 179228857 /nfs/dbraw/zinc/22/88/57/179228857.db2.gz OYNPTOYOMCRTSJ-OSAQELSMSA-N 1 0 296.436 2.248 10 0 CEAERO CC(C)(C)[C@@H]1CN(Cc2ccc3c(c2)OCO3)CC[NH2+]1 ZINC000086148234 179239977 /nfs/dbraw/zinc/23/99/77/179239977.db2.gz LKXBUNULZXORMF-HNNXBMFYSA-N 1 0 276.380 2.235 10 0 CEAERO C[C@]1(C2CC2)CN(CCOC2CCCCC2)CC[NH2+]1 ZINC000086149554 179240417 /nfs/dbraw/zinc/24/04/17/179240417.db2.gz ANCXVPOISAWJBX-MRXNPFEDSA-N 1 0 266.429 2.410 10 0 CEAERO CC[C@H](C)[C@@H]1CN(c2cnn(C)c2)[C@@H](CC)C[NH2+]1 ZINC000086154179 179241192 /nfs/dbraw/zinc/24/11/92/179241192.db2.gz UPUSISNVFJLDJO-OBJOEFQTSA-N 1 0 250.390 2.023 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](Cc2ccccc2)CN1c1cnn(C)c1 ZINC000086154192 179241210 /nfs/dbraw/zinc/24/12/10/179241210.db2.gz QTYYFIJBQRXVNM-JKSUJKDBSA-N 1 0 284.407 2.220 10 0 CEAERO Oc1ccc([C@H]2C[NH2+][C@@H](c3ccc(O)cc3)CN2)cc1 ZINC000065734883 362845167 /nfs/dbraw/zinc/84/51/67/362845167.db2.gz FPPBMXVCCCEYJD-HZPDHXFCSA-N 1 0 270.332 2.073 10 0 in-vitro CEAERO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1Cc1nccs1 ZINC000086173023 179244362 /nfs/dbraw/zinc/24/43/62/179244362.db2.gz IBONXJFEHOTEAJ-VXGBXAGGSA-N 1 0 253.415 2.352 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1Cc1cc(C)no1 ZINC000086174065 179245964 /nfs/dbraw/zinc/24/59/64/179245964.db2.gz OBLVLMUJKQOVMF-TZMCWYRMSA-N 1 0 251.374 2.191 10 0 CEAERO c1csc(CCN2CC[NH2+]C[C@H]2c2ccccc2)n1 ZINC000086177821 179246194 /nfs/dbraw/zinc/24/61/94/179246194.db2.gz AKJFDDAJHRMPBB-AWEZNQCLSA-N 1 0 273.405 2.332 10 0 CEAERO c1coc(CCN2CC[NH2+]C[C@H]2c2ccccc2)c1 ZINC000086177325 179246570 /nfs/dbraw/zinc/24/65/70/179246570.db2.gz WOIFGXLWMUZUSU-INIZCTEOSA-N 1 0 256.349 2.469 10 0 CEAERO Cc1cc(CN2CC[NH2+][C@@H](C3CCCCC3)C2)on1 ZINC000086146388 179239025 /nfs/dbraw/zinc/23/90/25/179239025.db2.gz YQSHCVKFWROMFC-OAHLLOKOSA-N 1 0 263.385 2.337 10 0 CEAERO CC[C@H]1CN[C@](C)(CC)C[N@@H+]1[C@@H](C)[C@@H]1CCCO1 ZINC000086218209 179249529 /nfs/dbraw/zinc/24/95/29/179249529.db2.gz SPSCBZQHZKOZLQ-ZQDZILKHSA-N 1 0 254.418 2.406 10 0 CEAERO CC(C)[C@@H]1CN[C@H](C2CC2)C[N@@H+]1[C@@H](C)[C@@H]1CCCO1 ZINC000086218178 179249586 /nfs/dbraw/zinc/24/95/86/179249586.db2.gz UTPKQICPWUYOPE-TUUVXOQKSA-N 1 0 266.429 2.262 10 0 CEAERO CCC1(CC)CN(c2cnn(C)c2)[C@H](C(C)C)C[NH2+]1 ZINC000086218362 179249936 /nfs/dbraw/zinc/24/99/36/179249936.db2.gz RDCAJYLJRJYFCG-AWEZNQCLSA-N 1 0 264.417 2.413 10 0 CEAERO CC[C@H]1C[NH2+]C2(CCCCC2)CN1c1cnn(C)c1 ZINC000086218329 179250113 /nfs/dbraw/zinc/25/01/13/179250113.db2.gz NTTUYYJUVAGCRW-ZDUSSCGKSA-N 1 0 262.401 2.311 10 0 CEAERO CCn1cc(N2C[C@H](C(C)(C)C)[NH2+]C[C@@H]2C)cn1 ZINC000086218560 179250567 /nfs/dbraw/zinc/25/05/67/179250567.db2.gz OENVSLQYLHDISP-WCQYABFASA-N 1 0 250.390 2.116 10 0 CEAERO CC[C@H]1CN(CCc2ccccn2)[C@H](C(C)C)C[NH2+]1 ZINC000086221477 179250630 /nfs/dbraw/zinc/25/06/30/179250630.db2.gz WPIFOWSAGQRZJC-HOCLYGCPSA-N 1 0 261.413 2.333 10 0 CEAERO CC(C)[C@@H]1C[NH2+][C@H](C2CC2)CN1CCc1ccccn1 ZINC000086221444 179250668 /nfs/dbraw/zinc/25/06/68/179250668.db2.gz OMYPSNDCJWLQML-IRXDYDNUSA-N 1 0 273.424 2.333 10 0 CEAERO C[C@H]1CN[C@H](c2ccccc2)C[N@@H+]1C1CCOCC1 ZINC000086218755 179250906 /nfs/dbraw/zinc/25/09/06/179250906.db2.gz LDHVEUUIOKTGSN-BBRMVZONSA-N 1 0 260.381 2.200 10 0 CEAERO CC(C)[C@H]1C[NH2+]C(C)(C)CN1CCc1ccncc1 ZINC000086223321 179251474 /nfs/dbraw/zinc/25/14/74/179251474.db2.gz KHOPFESZUMAPAW-OAHLLOKOSA-N 1 0 261.413 2.333 10 0 CEAERO C[C@H]1C[NH2+][C@@](C)(C2CC2)CN1CCc1cccnc1 ZINC000086223207 179251531 /nfs/dbraw/zinc/25/15/31/179251531.db2.gz UUNYRLLKVFOQCI-XJKSGUPXSA-N 1 0 259.397 2.087 10 0 CEAERO C[C@@H]1CN[C@@H](C(C)(C)C)C[N@@H+]1C[C@@H]1CCCOC1 ZINC000086260149 179259308 /nfs/dbraw/zinc/25/93/08/179259308.db2.gz QGANAGBUPUYCCN-HZSPNIEDSA-N 1 0 254.418 2.121 10 0 CEAERO CCOC[C@@H](C)[N@@H+]1C[C@H](c2ccccc2)NC[C@@H]1C ZINC000086259681 179259382 /nfs/dbraw/zinc/25/93/82/179259382.db2.gz MJDKQMAHXIRHNO-SQWLQELKSA-N 1 0 262.397 2.446 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1Cc1ccnc(C)n1 ZINC000086260199 179259432 /nfs/dbraw/zinc/25/94/32/179259432.db2.gz HVCDAOVDZMMBGB-HUUCEWRRSA-N 1 0 276.428 2.384 10 0 CEAERO CC[C@H]1CN(Cc2cc(C)no2)[C@H](C(C)C)C[NH2+]1 ZINC000086260410 179260031 /nfs/dbraw/zinc/26/00/31/179260031.db2.gz IDSXLANZTDGQDS-JSGCOSHPSA-N 1 0 251.374 2.191 10 0 CEAERO CC[C@@H]1CN[C@H](C2CC2)C[N@@H+]1[C@@H]1CCC[C@@H]1OC ZINC000086261353 179260566 /nfs/dbraw/zinc/26/05/66/179260566.db2.gz VFRCPBBGDQRZJW-BARDWOONSA-N 1 0 252.402 2.016 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](c2ccccc2)CN1[C@@H]1CCCOC1 ZINC000086265143 179260868 /nfs/dbraw/zinc/26/08/68/179260868.db2.gz JHLLOCYGLFVGCH-FVQBIDKESA-N 1 0 260.381 2.200 10 0 CEAERO CC[C@@H]1C[NH2+]C(C)(C)CN1CCc1cscn1 ZINC000086265621 179261767 /nfs/dbraw/zinc/26/17/67/179261767.db2.gz ORKWRINZTWLUNC-GFCCVEGCSA-N 1 0 253.415 2.148 10 0 CEAERO C[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1Cc1cscn1 ZINC000086265498 179261803 /nfs/dbraw/zinc/26/18/03/179261803.db2.gz KKYYOUJHGVCPRD-CMPLNLGQSA-N 1 0 253.415 2.352 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](C2CC2)CN1Cc1cscn1 ZINC000086265453 179262327 /nfs/dbraw/zinc/26/23/27/179262327.db2.gz QRPLBVQKWWQTJJ-CHWSQXEVSA-N 1 0 251.399 2.106 10 0 CEAERO C[C@]1(C2CC2)CN(Cc2nccs2)CCC[NH2+]1 ZINC000086289979 179264239 /nfs/dbraw/zinc/26/42/39/179264239.db2.gz BHLLGPGINBIEHS-CYBMUJFWSA-N 1 0 251.399 2.107 10 0 CEAERO Cc1csc(CN2CCC[NH2+][C@@H](C3CC3)C2)n1 ZINC000086290068 179264452 /nfs/dbraw/zinc/26/44/52/179264452.db2.gz SJHCHUGHWTZKNN-GFCCVEGCSA-N 1 0 251.399 2.025 10 0 CEAERO COc1ccc([C@H]2OCC[C@@H]2[NH3+])cc1Br ZINC000086249900 179256117 /nfs/dbraw/zinc/25/61/17/179256117.db2.gz NXIKMTHUZYXJHD-GXSJLCMTSA-N 1 0 272.142 2.246 10 0 CEAERO CC[N@@H+]1CCN(c2nc(Br)cs2)C[C@@H]1C ZINC000086291210 179265558 /nfs/dbraw/zinc/26/55/58/179265558.db2.gz YFADIGQOKASWLH-QMMMGPOBSA-N 1 0 290.230 2.436 10 0 CEAERO Cc1nccc(CN2CCC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000086292601 179265974 /nfs/dbraw/zinc/26/59/74/179265974.db2.gz PMNDOIHAUFOMHE-KRWDZBQOSA-N 1 0 282.391 2.322 10 0 CEAERO CC[C@H](C)[C@@H]1CN(Cc2cc(C)on2)CCC[NH2+]1 ZINC000086292084 179266730 /nfs/dbraw/zinc/26/67/30/179266730.db2.gz LWOGQOPZCQINLF-FZMZJTMJSA-N 1 0 251.374 2.193 10 0 CEAERO CCC1(CC)CN(Cc2ccnc(OC)c2)CCC[NH2+]1 ZINC000086296374 179267482 /nfs/dbraw/zinc/26/74/82/179267482.db2.gz LHNDKXPTWYXJES-UHFFFAOYSA-N 1 0 277.412 2.444 10 0 CEAERO CC[C@H](C)[C@H]1CN(Cc2cscn2)CCC[NH2+]1 ZINC000086297834 179268318 /nfs/dbraw/zinc/26/83/18/179268318.db2.gz CRIIXMFGYRLHEE-WCQYABFASA-N 1 0 253.415 2.353 10 0 CEAERO C[C@H]([NH3+])c1cccc(NC(=O)c2ccncc2F)c1 ZINC000086316284 179269391 /nfs/dbraw/zinc/26/93/91/179269391.db2.gz HWAADQSDDSTSJK-VIFPVBQESA-N 1 0 259.284 2.493 10 0 CEAERO CCOC(=O)CC[C@@H]([NH3+])Cc1ccc2ccccc2n1 ZINC000086317305 179269716 /nfs/dbraw/zinc/26/97/16/179269716.db2.gz HUHANGJCWZQTBH-CYBMUJFWSA-N 1 0 272.348 2.448 10 0 CEAERO [NH3+]C[C@H](NC[C@@H]1CCCO1)c1cc(Cl)cs1 ZINC000086333403 179273557 /nfs/dbraw/zinc/27/35/57/179273557.db2.gz UZFXKVKLAPBXAK-UWVGGRQHSA-N 1 0 260.790 2.170 10 0 CEAERO COCCC1(c2ccccc2Br)C[NH2+]C1 ZINC000086396510 179285087 /nfs/dbraw/zinc/28/50/87/179285087.db2.gz HMDGOUUOOSYQJX-UHFFFAOYSA-N 1 0 270.170 2.327 10 0 CEAERO CC[C@@H]1COCCN1c1nc2c(s1)CCC[C@@H]2[NH2+]C ZINC000086442944 179293542 /nfs/dbraw/zinc/29/35/42/179293542.db2.gz CFMWZACKPMTCKR-MNOVXSKESA-N 1 0 281.425 2.355 10 0 CEAERO COCCN(c1nc2c(s1)CCC[C@@H]2[NH3+])C1CC1 ZINC000086443591 179293578 /nfs/dbraw/zinc/29/35/78/179293578.db2.gz LGMMFCJSFKZTQQ-JTQLQIEISA-N 1 0 267.398 2.094 10 0 CEAERO CC1(C)CN(c2nc3c(s2)CCC[C@@H]3[NH3+])CCO1 ZINC000086442912 179294071 /nfs/dbraw/zinc/29/40/71/179294071.db2.gz UUTJHBRCPIUWST-VIFPVBQESA-N 1 0 267.398 2.094 10 0 CEAERO CC[C@@H]1CN(C(=O)c2ccc3c[nH]nc3c2)[C@H](CC)C[NH2+]1 ZINC000086446233 179294632 /nfs/dbraw/zinc/29/46/32/179294632.db2.gz HWQYHDKLKAWDJJ-ZIAGYGMSSA-N 1 0 286.379 2.166 10 0 CEAERO CC[C@H]1CN(C(=O)c2ccc3c[nH]nc3c2)[C@@H](CC)C[NH2+]1 ZINC000086446240 179294659 /nfs/dbraw/zinc/29/46/59/179294659.db2.gz HWQYHDKLKAWDJJ-KBPBESRZSA-N 1 0 286.379 2.166 10 0 CEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)c1cc(C)ccc1O ZINC000086446330 179294933 /nfs/dbraw/zinc/29/49/33/179294933.db2.gz REXIUUBYSZLCQL-QWHCGFSZSA-N 1 0 276.380 2.303 10 0 CEAERO CC[C@@H]1CN(C(=O)CCc2ccco2)[C@H](CC)C[NH2+]1 ZINC000086447325 179295472 /nfs/dbraw/zinc/29/54/72/179295472.db2.gz HVLLWMJFWPWADI-CHWSQXEVSA-N 1 0 264.369 2.201 10 0 CEAERO CC[C@@H]1CN(C(=O)c2ccc3c(c2)CCO3)[C@H](CC)C[NH2+]1 ZINC000086447441 179295657 /nfs/dbraw/zinc/29/56/57/179295657.db2.gz KRULSTGKVMBQQJ-HUUCEWRRSA-N 1 0 288.391 2.224 10 0 CEAERO CC[C@@H]1CN(C(=O)Cc2ccccc2F)[C@H](CC)C[NH2+]1 ZINC000086447313 179295679 /nfs/dbraw/zinc/29/56/79/179295679.db2.gz ZZASFTGTWDLAEK-ZIAGYGMSSA-N 1 0 278.371 2.357 10 0 CEAERO CC[C@@H]1CN(C(=O)c2cccs2)[C@@H](CC)C[NH2+]1 ZINC000086447946 179295748 /nfs/dbraw/zinc/29/57/48/179295748.db2.gz APLVDYDQISEKAS-MNOVXSKESA-N 1 0 252.383 2.351 10 0 CEAERO CCC1(C(=O)NOCc2ccccc2)CC[NH2+]CC1 ZINC000086437215 179292801 /nfs/dbraw/zinc/29/28/01/179292801.db2.gz LVXXOXSQXXPROM-UHFFFAOYSA-N 1 0 262.353 2.014 10 0 CEAERO CCC[NH2+][C@H]1CCCc2sc(CS(C)(=O)=O)nc21 ZINC000086439760 179293061 /nfs/dbraw/zinc/29/30/61/179293061.db2.gz LVVODKUUHWWJPU-VIFPVBQESA-N 1 0 288.438 2.065 10 0 CEAERO C[NH2+][C@H]1CCCc2sc(C[C@H]3CCCO3)nc21 ZINC000086439080 179293127 /nfs/dbraw/zinc/29/31/27/179293127.db2.gz RJTUFSSWSQBNRF-ZJUUUORDSA-N 1 0 252.383 2.461 10 0 CEAERO CC[C@@H]1C[NH+]=C(N)N1c1ccc(Br)cc1 ZINC000086474551 179300480 /nfs/dbraw/zinc/30/04/80/179300480.db2.gz YKUJYASPWFYMFD-SECBINFHSA-N 1 0 268.158 2.362 10 0 CEAERO CC[C@@]1(c2nc([C@H]3Cc4ccccc43)no2)CC[NH2+]C1 ZINC000086486349 179302006 /nfs/dbraw/zinc/30/20/06/179302006.db2.gz BJBYZOZKCCYQRH-XJKSGUPXSA-N 1 0 269.348 2.399 10 0 CEAERO C1CC(c2noc([C@@H]3CCCN3C3CC[NH2+]CC3)n2)C1 ZINC000086485998 179302039 /nfs/dbraw/zinc/30/20/39/179302039.db2.gz LLHFCWUZKCRXSH-ZDUSSCGKSA-N 1 0 276.384 2.226 10 0 CEAERO CC[C@@H]([NH3+])Cc1cnc([C@@H]2Cc3ccccc32)nc1 ZINC000086490820 179302621 /nfs/dbraw/zinc/30/26/21/179302621.db2.gz HHTGGBMJDRMSSP-UKRRQHHQSA-N 1 0 253.349 2.444 10 0 CEAERO CSc1cc2c(cc1C[NH2+]Cc1cn[nH]c1)OCCO2 ZINC000086506424 179303197 /nfs/dbraw/zinc/30/31/97/179303197.db2.gz ZTGJLANOTUASGC-UHFFFAOYSA-N 1 0 291.376 2.193 10 0 CEAERO Cc1cc([C@H]2CNC(=[NH2+])N2C)ccc1Br ZINC000086458652 179296259 /nfs/dbraw/zinc/29/62/59/179296259.db2.gz OOAFRVADOQXPKC-SNVBAGLBSA-N 1 0 268.158 2.059 10 0 CEAERO CCN1C(=[NH2+])NC[C@H]1c1cccc(Br)c1 ZINC000086459591 179296331 /nfs/dbraw/zinc/29/63/31/179296331.db2.gz YBXFUQIAQFFJFC-JTQLQIEISA-N 1 0 268.158 2.140 10 0 CEAERO CC[C@H]1CN(S(=O)(=O)c2cccc(C)c2)[C@@H](CC)C[NH2+]1 ZINC000086463266 179296620 /nfs/dbraw/zinc/29/66/20/179296620.db2.gz LPMDGHAFFVJDGK-KBPBESRZSA-N 1 0 296.436 2.146 10 0 CEAERO C[C@@H](c1ccc2c(c1)OCO2)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000086467063 179296874 /nfs/dbraw/zinc/29/68/74/179296874.db2.gz NRJOKCDWQDIKFB-WOPDTQHZSA-N 1 0 262.353 2.159 10 0 CEAERO CC[C@@H]1CN(Cc2cc(C(=O)OC)c(C)o2)[C@@H](CC)C[NH2+]1 ZINC000086464849 179296887 /nfs/dbraw/zinc/29/68/87/179296887.db2.gz DAWFKZOSZDEEAY-OLZOCXBDSA-N 1 0 294.395 2.337 10 0 CEAERO C[C@@H](CCc1ccc2c(c1)OCO2)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000086467175 179297253 /nfs/dbraw/zinc/29/72/53/179297253.db2.gz AWKCHYDJNMIFRV-RDBSUJKOSA-N 1 0 290.407 2.419 10 0 CEAERO COc1ccc(C(C)=O)cc1CN1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000086469597 179299598 /nfs/dbraw/zinc/29/95/98/179299598.db2.gz QWUNVPHALLBIFX-NEPJUHHUSA-N 1 0 276.380 2.080 10 0 CEAERO CC(C)(C)c1ccc(C[C@H]([NH3+])[C@H]2CCS(=O)(=O)C2)cc1 ZINC000086566321 179307577 /nfs/dbraw/zinc/30/75/77/179307577.db2.gz RCSKPSMFGZPWSJ-ZFWWWQNUSA-N 1 0 295.448 2.289 10 0 CEAERO [NH3+][C@H](Cc1ccccc1)[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000086567203 179307797 /nfs/dbraw/zinc/30/77/97/179307797.db2.gz TXDPBCMXCOIZQO-HUUCEWRRSA-N 1 0 287.384 2.128 10 0 CEAERO CC(C)c1ccc(C[C@@H]([NH3+])[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000086566610 179307988 /nfs/dbraw/zinc/30/79/88/179307988.db2.gz OJWBXGGMGLHHPC-HUUCEWRRSA-N 1 0 281.421 2.115 10 0 CEAERO COc1ccc([C@@H]2[C@H]([NH3+])CCCC(=O)N2C)cc1Cl ZINC000086585064 179310221 /nfs/dbraw/zinc/31/02/21/179310221.db2.gz GIBIHBBGHIHKQP-BXUZGUMPSA-N 1 0 282.771 2.359 10 0 CEAERO COc1ccc([C@@H](C[NH3+])N2CCC(OC)CC2)cc1Cl ZINC000086586456 179310312 /nfs/dbraw/zinc/31/03/12/179310312.db2.gz GEMGPYHJMSBSHS-CQSZACIVSA-N 1 0 298.814 2.459 10 0 CEAERO Cn1c2ccc(C[NH3+])cc2nc1-c1ccc2c(c1)OCO2 ZINC000086637751 179314903 /nfs/dbraw/zinc/31/49/03/179314903.db2.gz OMQWMTCCDDEZGA-UHFFFAOYSA-N 1 0 281.315 2.428 10 0 CEAERO CCC(CC)(CC)NC(=O)c1cnn(CCC[NH3+])c1C ZINC000086642080 179315321 /nfs/dbraw/zinc/31/53/21/179315321.db2.gz SCLFAFPUWLFUJC-UHFFFAOYSA-N 1 0 280.416 2.239 10 0 CEAERO COc1ccc([C@H]2C[NH2+]C[C@H](C)CO2)c(OC)c1 ZINC000086633885 179315339 /nfs/dbraw/zinc/31/53/39/179315339.db2.gz ZWJLVBLWKVHQQK-IINYFYTJSA-N 1 0 251.326 2.001 10 0 CEAERO C[NH+](C)CCCOc1nc(Cl)ncc1Cl ZINC000086621738 179311533 /nfs/dbraw/zinc/31/15/33/179311533.db2.gz AQJKIUXPDZYFDU-UHFFFAOYSA-N 1 0 250.129 2.114 10 0 CEAERO COC(=O)[C@@](C)([NH3+])C[C@H](C)Sc1nc(C)c(C)c(C)n1 ZINC000086644714 179315778 /nfs/dbraw/zinc/31/57/78/179315778.db2.gz IOLBJJYJUUJIRM-RTHLEPHNSA-N 1 0 297.424 2.163 10 0 CEAERO COC(=O)[C@@](C)([NH3+])C[C@@H](C)Sc1nc(C)c(C)c(C)n1 ZINC000086644715 179316022 /nfs/dbraw/zinc/31/60/22/179316022.db2.gz IOLBJJYJUUJIRM-CLAHSXSESA-N 1 0 297.424 2.163 10 0 CEAERO Cc1nc(SCc2cc[nH+]c(NN)c2)nc(C)c1C ZINC000086645112 179316239 /nfs/dbraw/zinc/31/62/39/179316239.db2.gz CDYPNHIHZTUXCC-UHFFFAOYSA-N 1 0 275.381 2.375 10 0 CEAERO C[C@H]([NH2+][C@H]1CCC[C@@H]1S(C)(=O)=O)c1ccccc1 ZINC000086669413 179317378 /nfs/dbraw/zinc/31/73/78/179317378.db2.gz PPQMQVSLLNWMKZ-UBHSHLNASA-N 1 0 267.394 2.303 10 0 CEAERO CCOc1cccc(C[NH2+][C@H]2CCC[C@@H]2S(C)(=O)=O)c1 ZINC000086674764 179318845 /nfs/dbraw/zinc/31/88/45/179318845.db2.gz SLAVSYXJIQPIRI-GJZGRUSLSA-N 1 0 297.420 2.141 10 0 CEAERO CS(=O)(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000086675891 179319599 /nfs/dbraw/zinc/31/95/99/179319599.db2.gz KHRQODUQSXQBCM-OLZOCXBDSA-N 1 0 287.812 2.395 10 0 CEAERO COC[C@H]([NH2+][C@@H]1COc2cc(O)ccc21)C(C)C ZINC000086682583 179320150 /nfs/dbraw/zinc/32/01/50/179320150.db2.gz FRCCVFQOYZAUBA-QWHCGFSZSA-N 1 0 251.326 2.086 10 0 CEAERO OC1(Cc2cc(F)cc(Br)c2)CC[NH2+]CC1 ZINC000086695453 179320480 /nfs/dbraw/zinc/32/04/80/179320480.db2.gz WAKBASHHCZSFGY-UHFFFAOYSA-N 1 0 288.160 2.245 10 0 CEAERO C[C@@H]1CC[C@@H](C[NH3+])CN1Cc1cnc(Cl)s1 ZINC000086777915 179329907 /nfs/dbraw/zinc/32/99/07/179329907.db2.gz CZCCDQISYWUZSP-BDAKNGLRSA-N 1 0 259.806 2.356 10 0 CEAERO C[C@H]1CCCC[C@H]1[N@H+](C)Cc1c[nH]c(=NN)s1 ZINC000086767658 179325888 /nfs/dbraw/zinc/32/58/88/179325888.db2.gz ZOPMOSPCLDOQAO-GXSJLCMTSA-N 1 0 254.403 2.439 10 0 CEAERO CN(Cc1cnc(Cl)s1)[C@H]1CCC[C@@H]1C[NH3+] ZINC000086777971 179329719 /nfs/dbraw/zinc/32/97/19/179329719.db2.gz SXYDJWNHIIVBFI-SCZZXKLOSA-N 1 0 259.806 2.356 10 0 CEAERO CCCC1CCC(C[NH3+])(OCCC(=O)NCC)CC1 ZINC000086713387 179322569 /nfs/dbraw/zinc/32/25/69/179322569.db2.gz YDCJIQCHRYELOH-UHFFFAOYSA-N 1 0 270.417 2.217 10 0 CEAERO CCCC1CCC(C[NH3+])(OCCOCCOC)CC1 ZINC000086713413 179322663 /nfs/dbraw/zinc/32/26/63/179322663.db2.gz XUPUCZWRWQKMLD-UHFFFAOYSA-N 1 0 273.417 2.354 10 0 CEAERO CCOC[C@H](O)COC1(C[NH3+])CCC(C(C)(C)C)CC1 ZINC000086713663 179322726 /nfs/dbraw/zinc/32/27/26/179322726.db2.gz MFAUXZDKMRBFFY-BBBYJDLNSA-N 1 0 287.444 2.334 10 0 CEAERO Cc1nnc(COC2(C[NH3+])CCC(C(C)C)CC2)n1C ZINC000086713558 179322844 /nfs/dbraw/zinc/32/28/44/179322844.db2.gz RRCNBXFHTZKIIM-UHFFFAOYSA-N 1 0 280.416 2.184 10 0 CEAERO COc1ccc(C)cc1C[C@@]1(O)CCC[N@H+](C)CC1 ZINC000086834170 179349420 /nfs/dbraw/zinc/34/94/20/179349420.db2.gz PHKKVBVVJCRCMC-MRXNPFEDSA-N 1 0 263.381 2.393 10 0 CEAERO C[N@@H+]1CCC[C@@](CO)(Nc2ccccc2F)CC1 ZINC000086834330 179350618 /nfs/dbraw/zinc/35/06/18/179350618.db2.gz CKVXBBOWOSAKCH-CQSZACIVSA-N 1 0 252.333 2.084 10 0 CEAERO CC[N@@H+]1CCC[C@@H](Nc2cccnc2N(C)C)CC1 ZINC000086838673 179351267 /nfs/dbraw/zinc/35/12/67/179351267.db2.gz SGUWDJKUSBVQAB-CYBMUJFWSA-N 1 0 262.401 2.434 10 0 CEAERO CCC[N@@H+]1CCC[C@](NC2CCCC2)(C(=O)OC)CC1 ZINC000086850377 179357786 /nfs/dbraw/zinc/35/77/86/179357786.db2.gz JTQRGLPCXKMJRE-MRXNPFEDSA-N 1 0 282.428 2.326 10 0 CEAERO CCC[N@@H+]1CCC[C@H](NCc2cnc(C)cn2)CC1 ZINC000086844449 179354565 /nfs/dbraw/zinc/35/45/65/179354565.db2.gz AMDATNWYYWACHJ-AWEZNQCLSA-N 1 0 262.401 2.139 10 0 CEAERO CC[NH2+][C@@H](Cc1nc(CSC)no1)C(C)(C)C ZINC000104061846 185888606 /nfs/dbraw/zinc/88/86/06/185888606.db2.gz AIZBMZVZLQVARD-VIFPVBQESA-N 1 0 257.403 2.499 10 0 CEAERO CCC[N@@H+]1CCC[C@@H]([NH+](CCC(=O)[O-])C(C)C)CC1 ZINC000086868767 179362564 /nfs/dbraw/zinc/36/25/64/179362564.db2.gz MSHVWIZOMAWZAP-CQSZACIVSA-N 1 0 270.417 2.436 10 0 CEAERO [NH3+][C@@]1(c2ccc3c(c2)OCCCO3)CCCOCC1 ZINC000086870256 179363232 /nfs/dbraw/zinc/36/32/32/179363232.db2.gz XOAVQTPCZLIPRM-HNNXBMFYSA-N 1 0 263.337 2.202 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cc(C3CCCCC3)n[nH]2)C1 ZINC000128734466 187387206 /nfs/dbraw/zinc/38/72/06/187387206.db2.gz JTDJXWJUVRDIOW-CYBMUJFWSA-N 1 0 290.411 2.234 10 0 CEAERO CCC[N@@H+]1CCC[C@](Nc2ccccc2F)(C(N)=O)CC1 ZINC000086849507 179358242 /nfs/dbraw/zinc/35/82/42/179358242.db2.gz GMZFDGGNBJGOMU-MRXNPFEDSA-N 1 0 293.386 2.358 10 0 CEAERO CC(C)[N@@H+]1CCC[C@](Nc2cccc(F)c2)(C(N)=O)CC1 ZINC000086849475 179358476 /nfs/dbraw/zinc/35/84/76/179358476.db2.gz SHWJALFQOQIIFE-MRXNPFEDSA-N 1 0 293.386 2.356 10 0 CEAERO CCC[NH2+][C@@H](CCCS(=O)(=O)CC)c1cccnc1 ZINC000086978758 179372697 /nfs/dbraw/zinc/37/26/97/179372697.db2.gz AKBXOWSHCVJNND-AWEZNQCLSA-N 1 0 284.425 2.337 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH3+])Cc1ccccc1C ZINC000086979118 179372769 /nfs/dbraw/zinc/37/27/69/179372769.db2.gz OBOWNHXDCOOSKT-CQSZACIVSA-N 1 0 269.410 2.080 10 0 CEAERO CC[C@@H]([NH3+])Cc1ccccc1OCCCS(=O)(=O)CC ZINC000086980020 179372902 /nfs/dbraw/zinc/37/29/02/179372902.db2.gz JNFLTBSILAMIBD-CQSZACIVSA-N 1 0 299.436 2.170 10 0 CEAERO CCS(=O)(=O)CCC[C@H]1[NH2+]Cc2ccccc21 ZINC000086981511 179372976 /nfs/dbraw/zinc/37/29/76/179372976.db2.gz ZCSVQCHFXQMRCO-CYBMUJFWSA-N 1 0 253.367 2.046 10 0 CEAERO CCS(=O)(=O)CCC[C@@H]([NH3+])c1ccc(F)cc1F ZINC000086979531 179373129 /nfs/dbraw/zinc/37/31/29/179373129.db2.gz FWZJSVCTPKMWDF-GFCCVEGCSA-N 1 0 277.336 2.180 10 0 CEAERO CCS(=O)(=O)CCCOc1c(C)cc(CC[NH3+])cc1C ZINC000086979977 179373388 /nfs/dbraw/zinc/37/33/88/179373388.db2.gz LHKPOSUQSXZQGK-UHFFFAOYSA-N 1 0 299.436 2.008 10 0 CEAERO CCS(=O)(=O)CCC[C@H](Cc1cccc(C)c1)[NH2+]C ZINC000086979153 179373416 /nfs/dbraw/zinc/37/34/16/179373416.db2.gz QPKMNTWTWJUFGM-OAHLLOKOSA-N 1 0 283.437 2.340 10 0 CEAERO C[C@H]1C[C@@](C[NH3+])(N(C)Cc2cccs2)CS1 ZINC000086936653 179367936 /nfs/dbraw/zinc/36/79/36/179367936.db2.gz VULDOCJGQNWHPW-JQWIXIFHSA-N 1 0 256.440 2.403 10 0 CEAERO CCC[C@H]1CCC[C@](C(=O)OC)(N2CC[NH2+]CC2)CC1 ZINC000086949870 179368802 /nfs/dbraw/zinc/36/88/02/179368802.db2.gz QTWJFIXWXPRQIW-HOCLYGCPSA-N 1 0 282.428 2.184 10 0 CEAERO CN(C)CC[NH2+][C@]1(CO)CCC[C@H](C(C)(C)C)CC1 ZINC000086962045 179369693 /nfs/dbraw/zinc/36/96/93/179369693.db2.gz GBZOEPQYLRRFHE-GOEBONIOSA-N 1 0 270.461 2.495 10 0 CEAERO CC[NH2+][C@H]1CCCC[C@H]1c1nc(CCCOC)no1 ZINC000086972098 179370785 /nfs/dbraw/zinc/37/07/85/179370785.db2.gz FWXPGOLBODIEFU-NEPJUHHUSA-N 1 0 267.373 2.284 10 0 CEAERO CCC[NH2+]CCc1c(C)nc(CCCOC)nc1C ZINC000086971566 179370874 /nfs/dbraw/zinc/37/08/74/179370874.db2.gz DQGKWHSWIGILEJ-UHFFFAOYSA-N 1 0 265.401 2.215 10 0 CEAERO COCCCc1noc([C@@H]2CCCCC[C@H]2[NH3+])n1 ZINC000086971795 179370881 /nfs/dbraw/zinc/37/08/81/179370881.db2.gz IFFAUTCFHLVTDS-GHMZBOCLSA-N 1 0 253.346 2.024 10 0 CEAERO C[NH2+][C@@H]1CCCCC[C@@H]1c1nc(CCCOC)no1 ZINC000086971957 179370949 /nfs/dbraw/zinc/37/09/49/179370949.db2.gz WUPZVXGSUBZONB-NWDGAFQWSA-N 1 0 267.373 2.284 10 0 CEAERO CCC[NH2+]Cc1ccccc1OCCCS(=O)(=O)CC ZINC000086972717 179371224 /nfs/dbraw/zinc/37/12/24/179371224.db2.gz WRIDQCXUQIHZRK-UHFFFAOYSA-N 1 0 299.436 2.390 10 0 CEAERO Nc1ncc(Cl)cc1[C@@H]([NH3+])[C@H]1CSCCS1 ZINC000086983845 179373905 /nfs/dbraw/zinc/37/39/05/179373905.db2.gz DLYIBLNJKWHZTL-RKDXNWHRSA-N 1 0 275.830 2.166 10 0 CEAERO CCC(O)(CC)C[NH2+][C@H](C)c1c(C)nn(C)c1C ZINC000087014580 179379694 /nfs/dbraw/zinc/37/96/94/179379694.db2.gz NKHRYPOSPOGLMO-SNVBAGLBSA-N 1 0 253.390 2.239 10 0 CEAERO CCC(O)(CC)C[NH2+]C[C@@H](O)c1cc(C)ccc1OC ZINC000087028488 179381653 /nfs/dbraw/zinc/38/16/53/179381653.db2.gz VBSIQIUSSQBSMZ-CQSZACIVSA-N 1 0 281.396 2.178 10 0 CEAERO CCC(O)(CC)C[NH2+][C@@H](C)C(=O)Nc1ccc(C)cc1 ZINC000087028316 179381724 /nfs/dbraw/zinc/38/17/24/179381724.db2.gz FNHODEGHBWOJPC-ZDUSSCGKSA-N 1 0 278.396 2.463 10 0 CEAERO [NH3+][C@@H](Cc1cccc(Cl)c1)[C@@H]1CSCCO1 ZINC000086988098 179374770 /nfs/dbraw/zinc/37/47/70/179374770.db2.gz WQDCOTACJOCTMY-RYUDHWBXSA-N 1 0 257.786 2.342 10 0 CEAERO COc1ccc([C@@H]2[C@H]([NH3+])CCCN2C2CC2)cc1F ZINC000086995365 179376042 /nfs/dbraw/zinc/37/60/42/179376042.db2.gz WQHAKCUTFYYMEW-UKRRQHHQSA-N 1 0 264.344 2.461 10 0 CEAERO O=C(C[NH2+]CC1(O)CCCC1)Nc1ccccc1Cl ZINC000087028885 179382427 /nfs/dbraw/zinc/38/24/27/179382427.db2.gz FUMMQRBNWWLMBQ-UHFFFAOYSA-N 1 0 282.771 2.173 10 0 CEAERO CC[C@@H]1C[NH2+]C[C@@H](c2cc(OC)c(OC)c(OC)c2)O1 ZINC000087090256 179394257 /nfs/dbraw/zinc/39/42/57/179394257.db2.gz NHBVIMIBBPBOFD-RISCZKNCSA-N 1 0 281.352 2.152 10 0 CEAERO CC[C@@H]1C[NH2+]C[C@H](c2ccc(OC)c(OC)c2)O1 ZINC000087090246 179394300 /nfs/dbraw/zinc/39/43/00/179394300.db2.gz WXRFZCDNLFVAEM-BXUZGUMPSA-N 1 0 251.326 2.143 10 0 CEAERO CCC1CCC(O)(C[NH2+][C@H]2CCCC[C@H]2O)CC1 ZINC000087066039 179389845 /nfs/dbraw/zinc/38/98/45/179389845.db2.gz PXFHRVTZSMFJST-RAFNIBEQSA-N 1 0 255.402 2.211 10 0 CEAERO CC1(C)CCC(O)(C[NH2+]C[C@@H](O)c2ccco2)CC1 ZINC000087063588 179389977 /nfs/dbraw/zinc/38/99/77/179389977.db2.gz IYUHCGZGJIVYJW-GFCCVEGCSA-N 1 0 267.369 2.234 10 0 CEAERO O=C(CC[C@@H]1CCCC[NH2+]1)NCC1(O)CCCCCC1 ZINC000087089930 179393312 /nfs/dbraw/zinc/39/33/12/179393312.db2.gz QRHQKDAYZZEEIP-AWEZNQCLSA-N 1 0 282.428 2.110 10 0 CEAERO O=C(C[NH2+]CC1(O)CCCCCC1)Nc1ccccc1 ZINC000087089410 179393551 /nfs/dbraw/zinc/39/35/51/179393551.db2.gz YUZDZLUOLUCULC-UHFFFAOYSA-N 1 0 276.380 2.300 10 0 CEAERO C[C@H]1CCC[C@@]([NH3+])(C(=O)NCC2(O)CCCCCC2)C1 ZINC000087089881 179393768 /nfs/dbraw/zinc/39/37/68/179393768.db2.gz ZUACLUATXFYIKD-BBRMVZONSA-N 1 0 282.428 2.096 10 0 CEAERO CCS(=O)(=O)CCC[C@H]([NH3+])CSc1ccccc1 ZINC000087162059 179398180 /nfs/dbraw/zinc/39/81/80/179398180.db2.gz MEVSFJHLDYCYOY-LBPRGKRZSA-N 1 0 287.450 2.321 10 0 CEAERO [NH3+]Cc1cc2ccccc2n(CC[C@H]2CCCO2)c1=O ZINC000087277405 179407357 /nfs/dbraw/zinc/40/73/57/179407357.db2.gz NLKVFSMYHFUPPP-CQSZACIVSA-N 1 0 272.348 2.029 10 0 CEAERO CC(C)(C)SCc1noc(C[C@@H]([NH3+])C2CC2)n1 ZINC000087120601 179396375 /nfs/dbraw/zinc/39/63/75/179396375.db2.gz JSTSRTMCCBWPBQ-SECBINFHSA-N 1 0 255.387 2.381 10 0 CEAERO COc1cc(OC)cc([C@H](O)[C@H](C[NH3+])c2ccccc2)c1 ZINC000087349659 179415225 /nfs/dbraw/zinc/41/52/25/179415225.db2.gz JFJPRCRRYOVHKV-SJORKVTESA-N 1 0 287.359 2.480 10 0 CEAERO Cc1ccc(C(=O)N[C@@H](C[NH3+])C(C)C)cc1Cl ZINC000087403592 179419445 /nfs/dbraw/zinc/41/94/45/179419445.db2.gz HECPSRSATCGOBV-LBPRGKRZSA-N 1 0 254.761 2.362 10 0 CEAERO C[NH2+][C@H](Cc1nc(C)cs1)[C@H]1CSCCS1 ZINC000087395616 179419585 /nfs/dbraw/zinc/41/95/85/179419585.db2.gz KAKRXBUNCJPSTJ-NXEZZACHSA-N 1 0 274.480 2.431 10 0 CEAERO COCC[NH2+]CC1(CCOCC(F)(F)F)CCC1 ZINC000087412141 179422573 /nfs/dbraw/zinc/42/25/73/179422573.db2.gz LDWFKBTXWKSYRI-UHFFFAOYSA-N 1 0 269.307 2.362 10 0 CEAERO COc1cc(-c2noc(C(C)(C)C(C)(C)[NH3+])n2)ccc1O ZINC000087621590 179456905 /nfs/dbraw/zinc/45/69/05/179456905.db2.gz UIHPHDRINWEBEA-UHFFFAOYSA-N 1 0 291.351 2.466 10 0 CEAERO CC(C)c1nsc(N(CCC[NH3+])Cc2cccnc2)n1 ZINC000087639481 179460772 /nfs/dbraw/zinc/46/07/72/179460772.db2.gz UUVOJWAPEGQKSS-UHFFFAOYSA-N 1 0 291.424 2.412 10 0 CEAERO C1CC1c1nsc(N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000087642405 179462212 /nfs/dbraw/zinc/46/22/12/179462212.db2.gz JTVBNVKGVDCALS-NEPJUHHUSA-N 1 0 278.425 2.384 10 0 CEAERO CCOC1CCN(C(=O)[C@@H](C)CCC[C@H](C)[NH3+])CC1 ZINC000087698801 179472147 /nfs/dbraw/zinc/47/21/47/179472147.db2.gz KPPQYQVVPFFLQC-STQMWFEESA-N 1 0 270.417 2.168 10 0 CEAERO CC1(C(=O)N2CCC[C@@H]3CCC[C@H]32)CC[NH2+]CC1 ZINC000087770139 179483841 /nfs/dbraw/zinc/48/38/41/179483841.db2.gz UTQXFFGNPKERGA-QWHCGFSZSA-N 1 0 250.386 2.167 10 0 CEAERO CCCn1cc([C@@H]([NH2+]CC)C2CCOCC2)cn1 ZINC000087811552 179490308 /nfs/dbraw/zinc/49/03/08/179490308.db2.gz PRDRHOXDGWHXHV-AWEZNQCLSA-N 1 0 251.374 2.370 10 0 CEAERO CC[C@@H](C[NH3+])C(=O)N(Cc1ccccc1OC)C1CC1 ZINC000087526718 179441214 /nfs/dbraw/zinc/44/12/14/179441214.db2.gz LELCVLPGINTNAZ-LBPRGKRZSA-N 1 0 276.380 2.171 10 0 CEAERO CCC[C@H](C[NH3+])C(=O)NCCCOCc1ccccc1 ZINC000087531994 179441959 /nfs/dbraw/zinc/44/19/59/179441959.db2.gz OLEQPDKTJXWVGY-OAHLLOKOSA-N 1 0 278.396 2.085 10 0 CEAERO CC[NH2+][C@H](CC(N)=O)c1ccc(C(F)(F)F)cc1 ZINC000087549671 179444409 /nfs/dbraw/zinc/44/44/09/179444409.db2.gz CPBYMBGICGGDRQ-SNVBAGLBSA-N 1 0 260.259 2.231 10 0 CEAERO CO[C@@H]1CCCC[N@H+](CCNC(=O)OC(C)(C)C)C1 ZINC000616628468 348540560 /nfs/dbraw/zinc/54/05/60/348540560.db2.gz LPLMGYVXCAFSQG-GFCCVEGCSA-N 1 0 272.389 2.012 10 0 CEAERO CC(C)(C)[N@@H+]1CCN[C@@H](c2cnnc3ccccc32)C1 ZINC000616631869 348541510 /nfs/dbraw/zinc/54/15/10/348541510.db2.gz HSMKVYRSNQOGFI-OAHLLOKOSA-N 1 0 270.380 2.375 10 0 CEAERO Nc1ccccc1[C@H]1C[NH2+]CCN1Cc1ccccc1 ZINC000616637862 348542855 /nfs/dbraw/zinc/54/28/55/348542855.db2.gz ZQAZCNGYRZQTQE-QGZVFWFLSA-N 1 0 267.376 2.415 10 0 CEAERO CCOC(=O)c1ccc([C@@H]2C[NH2+]CCN2C(C)C)cc1 ZINC000616637937 348542973 /nfs/dbraw/zinc/54/29/73/348542973.db2.gz SEMNLBNOLADEBG-HNNXBMFYSA-N 1 0 276.380 2.218 10 0 CEAERO CC(C)[N@@H+]1CCCO[C@H](c2cccc(CCO)c2)C1 ZINC000616649409 348547116 /nfs/dbraw/zinc/54/71/16/348547116.db2.gz IKERQEQRJWEOKF-INIZCTEOSA-N 1 0 263.381 2.393 10 0 CEAERO CCn1nc(C)c(Br)c1C[C@@H]1CC[C@H]1[NH3+] ZINC000087934889 179527820 /nfs/dbraw/zinc/52/78/20/179527820.db2.gz XHDHNFRVBHLXHK-DTWKUNHWSA-N 1 0 272.190 2.254 10 0 CEAERO Cc1nn(C)c(C[C@@H]2CCC[C@H]2C[NH3+])c1Br ZINC000087940635 179528288 /nfs/dbraw/zinc/52/82/88/179528288.db2.gz LJAYDNQFYXJOPJ-UWVGGRQHSA-N 1 0 286.217 2.409 10 0 CEAERO CC[C@@H]1CCN(C(=O)/C=C/c2ccccc2)C[C@H]1[NH3+] ZINC000616570054 348523621 /nfs/dbraw/zinc/52/36/21/348523621.db2.gz LNTRKMZPXHDNDI-VMFRVMOISA-N 1 0 258.365 2.286 10 0 CEAERO CC(C)CC(=O)N1CC[C@H](c2ccccc2)[C@@H]([NH3+])C1 ZINC000616572043 348524106 /nfs/dbraw/zinc/52/41/06/348524106.db2.gz SZUGGSFDEHKERI-CABCVRRESA-N 1 0 260.381 2.376 10 0 CEAERO CC1(C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)CC1 ZINC000616572021 348524122 /nfs/dbraw/zinc/52/41/22/348524122.db2.gz SQLRQMFTYGATMH-KBPBESRZSA-N 1 0 276.355 2.188 10 0 CEAERO CCCC(=O)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000616572504 348524245 /nfs/dbraw/zinc/52/42/45/348524245.db2.gz WKBAECHZGFGDHK-KBPBESRZSA-N 1 0 264.344 2.188 10 0 CEAERO CC[NH2+][C@@H]1CCCc2c1cnn2[C@H]1CCCC[C@@H]1O ZINC000087862428 179504203 /nfs/dbraw/zinc/50/42/03/179504203.db2.gz SWACNPVJFWZZFJ-SNPRPXQTSA-N 1 0 263.385 2.346 10 0 CEAERO [NH3+]CCN1C[C@H](c2ccccc2CO)Cc2ccccc21 ZINC000616592905 348527632 /nfs/dbraw/zinc/52/76/32/348527632.db2.gz MOUXLEHTCZBNJQ-MRXNPFEDSA-N 1 0 282.387 2.284 10 0 CEAERO C[C@@H]1CCC[C@H]1Nc1nc(NN)[nH+]cc1Br ZINC000087876581 179507776 /nfs/dbraw/zinc/50/77/76/179507776.db2.gz OVWHUOBUAIJNDS-HTRCEHHLSA-N 1 0 286.177 2.125 10 0 CEAERO CC[N@@H+]1CCCOC[C@@H]1c1ccc2nnccc2c1 ZINC000616598566 348530472 /nfs/dbraw/zinc/53/04/72/348530472.db2.gz DXERDNWCTFCYCO-OAHLLOKOSA-N 1 0 257.337 2.413 10 0 CEAERO CC[N@@H+]1CCCO[C@@H](c2ccccc2NC(C)=O)C1 ZINC000616598636 348530517 /nfs/dbraw/zinc/53/05/17/348530517.db2.gz OJPOFCGVFZIBOG-OAHLLOKOSA-N 1 0 262.353 2.428 10 0 CEAERO NC(=O)c1ccc(F)c(COc2ccc(CC[NH3+])cc2)c1 ZINC000087881834 179509496 /nfs/dbraw/zinc/50/94/96/179509496.db2.gz UGAUIWZQDCICQV-UHFFFAOYSA-N 1 0 288.322 2.005 10 0 CEAERO OCCc1ccccc1[C@@H]1C[N@H+](Cc2ccccc2)CCN1 ZINC000616602474 348531095 /nfs/dbraw/zinc/53/10/95/348531095.db2.gz KVEMJMPTQPKJRY-IBGZPJMESA-N 1 0 296.414 2.368 10 0 CEAERO OCC[N@@H+]1CCCC[C@H](c2ccc3ccnnc3c2)C1 ZINC000616604946 348531724 /nfs/dbraw/zinc/53/17/24/348531724.db2.gz VHFYSVFNDMKGLT-HNNXBMFYSA-N 1 0 271.364 2.192 10 0 CEAERO OCc1ccccc1[C@@H]1C[N@H+](Cc2ccccc2)CCN1 ZINC000616604781 348531793 /nfs/dbraw/zinc/53/17/93/348531793.db2.gz ZYBKPLPUZDHKLJ-SFHVURJKSA-N 1 0 282.387 2.325 10 0 CEAERO CCOC(=O)c1ccccc1[C@@H]1CCCC[N@H+](CCO)C1 ZINC000616605835 348532969 /nfs/dbraw/zinc/53/29/69/348532969.db2.gz WLAFCDVQYJJLTC-CQSZACIVSA-N 1 0 291.391 2.425 10 0 CEAERO Nc1ccc([C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000616610312 348533225 /nfs/dbraw/zinc/53/32/25/348533225.db2.gz XYONWYKNQJMCKL-HNNXBMFYSA-N 1 0 253.349 2.484 10 0 CEAERO CCOC(=O)c1ccccc1[C@@H]1CCCC[N@@H+]1CCO ZINC000616615928 348534973 /nfs/dbraw/zinc/53/49/73/348534973.db2.gz FVBJAINVXJACOJ-HNNXBMFYSA-N 1 0 277.364 2.383 10 0 CEAERO Cc1cc(Oc2cncc(Br)c2)nc(NN)[nH+]1 ZINC000087890580 179514381 /nfs/dbraw/zinc/51/43/81/179514381.db2.gz MPIJAYSQJWAWGF-UHFFFAOYSA-N 1 0 296.128 2.020 10 0 CEAERO [NH3+]CCN1CCC[C@H](c2cnc3ccccc3c2)C1 ZINC000616621457 348537264 /nfs/dbraw/zinc/53/72/64/348537264.db2.gz OLLHGIDTDRWERQ-AWEZNQCLSA-N 1 0 255.365 2.373 10 0 CEAERO [NH3+]CCN1CCC[C@H](c2cncc3ccccc32)C1 ZINC000616621489 348537330 /nfs/dbraw/zinc/53/73/30/348537330.db2.gz QALYFYZIGRNQKP-AWEZNQCLSA-N 1 0 255.365 2.373 10 0 CEAERO CCCc1c(NC[C@@H]2CCCS2)nc[nH+]c1NN ZINC000087896102 179516113 /nfs/dbraw/zinc/51/61/13/179516113.db2.gz FOVVIVUQWKNGIM-VIFPVBQESA-N 1 0 267.402 2.022 10 0 CEAERO Cc1c(NCc2ccccc2Cl)nc[nH+]c1NN ZINC000087904752 179516291 /nfs/dbraw/zinc/51/62/91/179516291.db2.gz YTXXONFSXJKKNU-UHFFFAOYSA-N 1 0 263.732 2.336 10 0 CEAERO C[NH2+][C@@H](Cc1cccnc1N)[C@H]1COc2ccccc2C1 ZINC000088021447 179536211 /nfs/dbraw/zinc/53/62/11/179536211.db2.gz RNOYLQPVJLQBGL-CABCVRRESA-N 1 0 283.375 2.046 10 0 CEAERO C[NH2+][C@H](c1ccnn1C)[C@H]1CCOc2ccccc21 ZINC000088020120 179536548 /nfs/dbraw/zinc/53/65/48/179536548.db2.gz WCMMISABIOKGRB-WFASDCNBSA-N 1 0 257.337 2.247 10 0 CEAERO CC(C)(C)c1ccc(NS(=O)(=O)[C@@H]2CC[NH2+]C2)cc1 ZINC000088056097 179540335 /nfs/dbraw/zinc/54/03/35/179540335.db2.gz HCFFKIUVJLADFP-CYBMUJFWSA-N 1 0 282.409 2.088 10 0 CEAERO C[C@@H]([NH3+])C[S@](=O)Cc1ccc(Br)s1 ZINC000088069817 179543861 /nfs/dbraw/zinc/54/38/61/179543861.db2.gz ATBHKTWBXMNIEE-CAAJLBCPSA-N 1 0 282.228 2.107 10 0 CEAERO C[C@@H]([NH3+])CC[S@@](=O)Cc1ccc(Cl)s1 ZINC000088076113 179544677 /nfs/dbraw/zinc/54/46/77/179544677.db2.gz KZXSWXWNRVZKAF-UOWDBTKRSA-N 1 0 251.804 2.388 10 0 CEAERO OC1(CCc2ccc3c(c2)CCO3)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000088103324 179549120 /nfs/dbraw/zinc/54/91/20/179549120.db2.gz DKZJVTDYLMUVBU-FKEKPDDDSA-N 1 0 273.376 2.200 10 0 CEAERO CC[C@@H]([NH3+])Cc1cnn(CCc2ccc3c(c2)CCO3)c1 ZINC000088106364 179549808 /nfs/dbraw/zinc/54/98/08/179549808.db2.gz UTGHPJQCDGUBSC-MRXNPFEDSA-N 1 0 285.391 2.341 10 0 CEAERO c1cc([C@@H]2COCC[N@@H+](Cc3ccccc3)C2)no1 ZINC000616661472 348553126 /nfs/dbraw/zinc/55/31/26/348553126.db2.gz SQCZPZRLYAZVOG-AWEZNQCLSA-N 1 0 258.321 2.291 10 0 CEAERO Nc1cccc([C@H]2Cc3ccccc3N(CC[NH3+])C2)c1 ZINC000616672414 348556777 /nfs/dbraw/zinc/55/67/77/348556777.db2.gz OAEMIUJOBNGWEZ-HNNXBMFYSA-N 1 0 267.376 2.374 10 0 CEAERO [NH3+]CCN1CCc2ccccc2[C@@H]1c1cccc(CO)c1 ZINC000616691722 348561993 /nfs/dbraw/zinc/56/19/93/348561993.db2.gz LQILUMPXYRVRPV-SFHVURJKSA-N 1 0 282.387 2.085 10 0 CEAERO CCC[NH2+]CCN(C)CCOc1ccc(OC)cc1 ZINC000088402632 179593860 /nfs/dbraw/zinc/59/38/60/179593860.db2.gz AVNRKLLAGYIAED-UHFFFAOYSA-N 1 0 266.385 2.005 10 0 CEAERO CCOc1ccccc1OCCN1[C@@H](C)C[NH2+]C[C@@H]1C ZINC000088413722 179595346 /nfs/dbraw/zinc/59/53/46/179595346.db2.gz LFUHQIPCPBIIBQ-KBPBESRZSA-N 1 0 278.396 2.146 10 0 CEAERO C[C@@H]1CC[C@@H]([NH3+])[C@H](C(=O)N(C)CCC(F)(F)F)C1 ZINC000088438847 179602182 /nfs/dbraw/zinc/60/21/82/179602182.db2.gz ONXZNHIPBUNANM-OPRDCNLKSA-N 1 0 266.307 2.161 10 0 CEAERO CN(CCC(F)(F)F)C(=O)[C@@H]1CCC[C@H](C[NH3+])C1 ZINC000088438959 179602707 /nfs/dbraw/zinc/60/27/07/179602707.db2.gz RXSPJUGBBNIPPO-VHSXEESVSA-N 1 0 266.307 2.162 10 0 CEAERO C[C@@H]1C[NH2+]C[C@H](C(=O)N(C)C2CCCCCC2)C1 ZINC000088450000 179606033 /nfs/dbraw/zinc/60/60/33/179606033.db2.gz JMFNOGUIBMZROF-QWHCGFSZSA-N 1 0 252.402 2.413 10 0 CEAERO Cc1cncc(-c2nnc(CCC[NH2+]C(C)C)o2)c1 ZINC000088452036 179607202 /nfs/dbraw/zinc/60/72/02/179607202.db2.gz XFPIMXPAWTXWPE-UHFFFAOYSA-N 1 0 260.341 2.371 10 0 CEAERO CCN(C[C@H]1CCCO1)C(=O)C[C@H](C[NH3+])CC(C)C ZINC000088287291 179574964 /nfs/dbraw/zinc/57/49/64/179574964.db2.gz UPHWCGJKVXABEV-ZIAGYGMSSA-N 1 0 270.417 2.025 10 0 CEAERO O=C(NC[C@H]1CC=CCC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000104199010 185927462 /nfs/dbraw/zinc/92/74/62/185927462.db2.gz PTDQGJMGGNPQRB-JQWIXIFHSA-N 1 0 276.302 2.001 10 0 CEAERO Cn1ncnc1C[C@@](C)([NH3+])c1ccc2c(c1)CCCC2 ZINC000088581326 179628994 /nfs/dbraw/zinc/62/89/94/179628994.db2.gz MJMJATKSZIBIRT-MRXNPFEDSA-N 1 0 270.380 2.111 10 0 CEAERO CCC[NH2+][C@H](Cc1ncnn1C)c1cc(F)ccc1F ZINC000088582240 179629418 /nfs/dbraw/zinc/62/94/18/179629418.db2.gz VGKCATPHMBDDDJ-CYBMUJFWSA-N 1 0 280.322 2.377 10 0 CEAERO CCC[NH2+]C[C@@H](Cc1ncnn1C)c1ccccc1 ZINC000088583303 179630039 /nfs/dbraw/zinc/63/00/39/179630039.db2.gz ITPHBKOYBZUCCA-CQSZACIVSA-N 1 0 258.369 2.141 10 0 CEAERO CCC1(CC)CN(Cc2ncnn2C)[C@@H](C(C)(C)C)C[NH2+]1 ZINC000088584118 179630776 /nfs/dbraw/zinc/63/07/76/179630776.db2.gz KFZTVDZBZNEPSZ-CYBMUJFWSA-N 1 0 293.459 2.194 10 0 CEAERO CC(C)CSC[C@H]([NH3+])Cc1ncnn1CC(C)C ZINC000088612788 179639931 /nfs/dbraw/zinc/63/99/31/179639931.db2.gz CONIAPPPXNQCAK-GFCCVEGCSA-N 1 0 270.446 2.193 10 0 CEAERO CC[NH2+][C@@H](CSC(C)(C)C)Cc1ncnn1CC ZINC000088612774 179639944 /nfs/dbraw/zinc/63/99/44/179639944.db2.gz GXCGLHFGQQIDFZ-LLVKDONJSA-N 1 0 270.446 2.350 10 0 CEAERO CC[C@@H](C[NH2+]C1CC1)Cc1ncnn1CC(C)C ZINC000088620607 179641357 /nfs/dbraw/zinc/64/13/57/179641357.db2.gz OBSVQITVDPTGMT-GFCCVEGCSA-N 1 0 250.390 2.255 10 0 CEAERO CCCn1ncnc1CN1C[C@@H](CC(C)C)[NH2+]C[C@@H]1CC ZINC000088625465 179642374 /nfs/dbraw/zinc/64/23/74/179642374.db2.gz JUDXUXZLAALHNF-CABCVRRESA-N 1 0 293.459 2.287 10 0 CEAERO C[NH2+][C@@H](Cc1ccncc1)Cc1ccc(OC)cc1 ZINC000088529994 179618286 /nfs/dbraw/zinc/61/82/86/179618286.db2.gz UKNACTHMEKESDX-OAHLLOKOSA-N 1 0 256.349 2.463 10 0 CEAERO Cc1ccc(Cl)cc1OC[C@@H](O)C[NH2+]C(C)C ZINC000088729754 179659401 /nfs/dbraw/zinc/65/94/01/179659401.db2.gz VWOKFMHZMRNXMC-LBPRGKRZSA-N 1 0 257.761 2.386 10 0 CEAERO CC(C)[C@H]1CCCN1C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000088837207 179681680 /nfs/dbraw/zinc/68/16/80/179681680.db2.gz WOGIVASSQFSRFV-PWSUYJOCSA-N 1 0 278.318 2.175 10 0 CEAERO CCCn1cc(Cl)cc1C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000089090969 179699119 /nfs/dbraw/zinc/69/91/19/179699119.db2.gz GDVVGOPICFUKIH-CMPLNLGQSA-N 1 0 283.803 2.409 10 0 CEAERO Cc1ccc(CC(=O)N(C)[C@H]2CCC[C@H]2C[NH3+])cc1C ZINC000089109965 179705333 /nfs/dbraw/zinc/70/53/33/179705333.db2.gz XPCUXBHOOWJBTG-HOTGVXAUSA-N 1 0 274.408 2.432 10 0 CEAERO CN(C(=O)COc1cccc(Cl)c1)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089110499 179705551 /nfs/dbraw/zinc/70/55/51/179705551.db2.gz ZRYIBMSKZQFQRW-RISCZKNCSA-N 1 0 296.798 2.305 10 0 CEAERO CN(C(=O)Cc1ccccc1Cl)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089110768 179705946 /nfs/dbraw/zinc/70/59/46/179705946.db2.gz HZAZUBCPQPVZSW-GXTWGEPZSA-N 1 0 280.799 2.468 10 0 CEAERO CCC[NH2+]CCS(=O)(=O)N1CCCCc2ccccc21 ZINC000089049756 179693332 /nfs/dbraw/zinc/69/33/32/179693332.db2.gz WPUSCTOHQHFMJM-UHFFFAOYSA-N 1 0 296.436 2.159 10 0 CEAERO CCCOc1cncc(N(C)[C@@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000089133507 179714353 /nfs/dbraw/zinc/71/43/53/179714353.db2.gz IVECFXFPDPFFSU-CHWSQXEVSA-N 1 0 278.400 2.219 10 0 CEAERO COC1CCN(c2ccc(C[C@H](C)[NH3+])cc2F)CC1 ZINC000104263785 185948100 /nfs/dbraw/zinc/94/81/00/185948100.db2.gz WADVKCLKXUAMHB-NSHDSACASA-N 1 0 266.360 2.331 10 0 CEAERO CCN(C(=O)c1cccc(N(C)C)c1)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089113766 179708348 /nfs/dbraw/zinc/70/83/48/179708348.db2.gz DBMLVMQLCPZTAF-GOEBONIOSA-N 1 0 289.423 2.342 10 0 CEAERO CC[C@@H](C)N(C)c1nc2sccn2c1CC[NH3+] ZINC000104272286 185950593 /nfs/dbraw/zinc/95/05/93/185950593.db2.gz UUJOVZOUTAPUGV-SECBINFHSA-N 1 0 252.387 2.132 10 0 CEAERO CCN(C(=O)c1snnc1C(C)C)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089114980 179709475 /nfs/dbraw/zinc/70/94/75/179709475.db2.gz PMRKDLAUWAUGMB-GHMZBOCLSA-N 1 0 296.440 2.251 10 0 CEAERO COc1cccc(C(=O)N(C)[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000089120122 179712063 /nfs/dbraw/zinc/71/20/63/179712063.db2.gz INDILGNIJTYXIB-HIFRSBDPSA-N 1 0 276.380 2.285 10 0 CEAERO CN(C)c1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000089120235 179712156 /nfs/dbraw/zinc/71/21/56/179712156.db2.gz DVDVWSHLLQMKPO-HOCLYGCPSA-N 1 0 289.423 2.342 10 0 CEAERO COCCOCc1cccc(N[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089149941 179725168 /nfs/dbraw/zinc/72/51/68/179725168.db2.gz WYCCEQJJFKWZBT-ZBFHGGJFSA-N 1 0 278.396 2.389 10 0 CEAERO CC[NH2+][C@@H](CCc1nn(C)c2ccccc12)COC ZINC000089175536 179741632 /nfs/dbraw/zinc/74/16/32/179741632.db2.gz QLNDOPMYKXAEBB-LBPRGKRZSA-N 1 0 261.369 2.130 10 0 CEAERO CC[NH2+][C@@H](COCC)Cc1nn(C)c2ccccc12 ZINC000089178294 179743407 /nfs/dbraw/zinc/74/34/07/179743407.db2.gz VSSVICNQFOOMBI-GFCCVEGCSA-N 1 0 261.369 2.130 10 0 CEAERO CCOC(=O)c1cccnc1NC[C@@]1(C)CCC[NH2+]C1 ZINC000129362254 187426044 /nfs/dbraw/zinc/42/60/44/187426044.db2.gz UGPNIQXUDSQGGB-HNNXBMFYSA-N 1 0 277.368 2.060 10 0 CEAERO CC[NH2+][C@H](C)[C@@H]1CCCCN1Cc1cc(CC)nn1C ZINC000089180669 179744677 /nfs/dbraw/zinc/74/46/77/179744677.db2.gz BQWCUJGUCIVFLI-CJNGLKHVSA-N 1 0 278.444 2.335 10 0 CEAERO C[NH2+]Cc1cccc(OC)c1OCc1cc(C)nn1C ZINC000089181379 179745281 /nfs/dbraw/zinc/74/52/81/179745281.db2.gz MODHIOMSEWDJLH-UHFFFAOYSA-N 1 0 275.352 2.036 10 0 CEAERO Cc1ccc(C)c(OCC[N@@H+]2C[C@@H](C)C[C@H](O)C2)c1 ZINC000401707930 233185462 /nfs/dbraw/zinc/18/54/62/233185462.db2.gz RPYSWVAHMXAILO-ZFWWWQNUSA-N 1 0 263.381 2.385 10 0 CEAERO CCc1cc(C[C@@H]([NH3+])CS[C@@H](C)CC)n(C)n1 ZINC000089198868 179751502 /nfs/dbraw/zinc/75/15/02/179751502.db2.gz VDCVRXDNRSBZKV-WDEREUQCSA-N 1 0 255.431 2.384 10 0 CEAERO C[NH2+][C@@H](Cc1cc(C)nn1C)[C@@H]1CCOc2ccccc21 ZINC000089200717 179752089 /nfs/dbraw/zinc/75/20/89/179752089.db2.gz OHZZPDIDCXTZEG-ZBFHGGJFSA-N 1 0 285.391 2.425 10 0 CEAERO CCn1nc(C)cc1C[C@](C)(CC)C[NH2+]CCOC ZINC000089206308 179753994 /nfs/dbraw/zinc/75/39/94/179753994.db2.gz BMIUGEULGKVILC-HNNXBMFYSA-N 1 0 267.417 2.406 10 0 CEAERO CCC(CC)(C[NH2+]CCOC)Cc1cc(C)nn1C ZINC000089206245 179754278 /nfs/dbraw/zinc/75/42/78/179754278.db2.gz ACWALMCFJXGAKS-UHFFFAOYSA-N 1 0 267.417 2.313 10 0 CEAERO CCc1cc(Cn2ncc(C[NH2+]C(C)(C)C)c2C)n(C)n1 ZINC000089207471 179754292 /nfs/dbraw/zinc/75/42/92/179754292.db2.gz FSFZQENCKRQRNA-UHFFFAOYSA-N 1 0 289.427 2.424 10 0 CEAERO C[C@H]1CCC[C@@](C[NH3+])(Nc2ncnc3c2CCC3)C1 ZINC000104303429 185960603 /nfs/dbraw/zinc/96/06/03/185960603.db2.gz CGPCKINQIDCNHZ-XHDPSFHLSA-N 1 0 260.385 2.285 10 0 CEAERO Cc1cc(C)cc(N(C)[C@@H](C[NH3+])[C@@H]2CCCOC2)c1 ZINC000104311729 185962626 /nfs/dbraw/zinc/96/26/26/185962626.db2.gz UCKANCNFONBRJQ-ZBFHGGJFSA-N 1 0 262.397 2.494 10 0 CEAERO CC[C@@H](C)[C@H]1CN(Cc2c(Cl)c(C)nn2C)CC[NH2+]1 ZINC000089270189 179763267 /nfs/dbraw/zinc/76/32/67/179763267.db2.gz FKUIURSLSCWKBW-ZYHUDNBSSA-N 1 0 284.835 2.202 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1c1nc(-c2ccc(O)cc2)no1 ZINC000089430703 179786760 /nfs/dbraw/zinc/78/67/60/179786760.db2.gz WXDLPZQFAIZYQK-CMPLNLGQSA-N 1 0 259.309 2.285 10 0 CEAERO Cc1ccc(CN(C)C(=O)[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089450125 179792231 /nfs/dbraw/zinc/79/22/31/179792231.db2.gz JXWUTUXPHPBAJR-GJZGRUSLSA-N 1 0 260.381 2.328 10 0 CEAERO CC(C)(CNC(=O)[C@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000089458090 179794475 /nfs/dbraw/zinc/79/44/75/179794475.db2.gz XIMXPKXYUMAKJD-ZFWWWQNUSA-N 1 0 274.408 2.455 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1sccc1Cl ZINC000129472680 187432838 /nfs/dbraw/zinc/43/28/38/187432838.db2.gz QMCCSBPKOQAHHN-VXNVDRBHSA-N 1 0 258.774 2.272 10 0 CEAERO Cc1cc2ncnn2c(NC[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000089532553 179811860 /nfs/dbraw/zinc/81/18/60/179811860.db2.gz XXWYOLMXUZEAET-OLZOCXBDSA-N 1 0 273.384 2.215 10 0 CEAERO COc1ccc(NC(=O)COC[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089536367 179812467 /nfs/dbraw/zinc/81/24/67/179812467.db2.gz GBFOHWJWJRZKDV-CHWSQXEVSA-N 1 0 292.379 2.025 10 0 CEAERO COc1cccc(OC[C@@H]2CCCC[C@H]2C[NH3+])n1 ZINC000089537563 179812977 /nfs/dbraw/zinc/81/29/77/179812977.db2.gz WLFIIPZJXQEAHU-RYUDHWBXSA-N 1 0 250.342 2.234 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1CN(CC(F)(F)F)C1CC1 ZINC000089483118 179801253 /nfs/dbraw/zinc/80/12/53/179801253.db2.gz PJCQRMQYJOZEPL-VHSXEESVSA-N 1 0 250.308 2.388 10 0 CEAERO [NH3+]C[C@H]1CCC[C@H]1CNc1ncnc2ccccc21 ZINC000089501104 179805631 /nfs/dbraw/zinc/80/56/31/179805631.db2.gz QNICAJWJTAYZOR-NEPJUHHUSA-N 1 0 256.353 2.417 10 0 CEAERO COc1cccc(-c2c[nH]c(C[C@@H]3CC[NH2+]C3)n2)c1 ZINC000089749554 179858935 /nfs/dbraw/zinc/85/89/35/179858935.db2.gz MGASYXJGBGVIHN-NSHDSACASA-N 1 0 257.337 2.237 10 0 CEAERO CC(C)CCCOC[C@H](O)C[NH2+]C[C@@](C)(O)CC(C)C ZINC000090272354 179944836 /nfs/dbraw/zinc/94/48/36/179944836.db2.gz KXFICUPWLIQAFG-CVEARBPZSA-N 1 0 289.460 2.187 10 0 CEAERO CCC[NH2+][C@H](C)[C@H]1CCCCN1Cc1cnn(C)c1 ZINC000104409224 185991051 /nfs/dbraw/zinc/99/10/51/185991051.db2.gz ZMHGHCVVZTYVRA-UKRRQHHQSA-N 1 0 264.417 2.163 10 0 CEAERO C[NH2+][C@@H](C)c1cccc(NC(=O)c2cc(COC)on2)c1 ZINC000090253536 179940543 /nfs/dbraw/zinc/94/05/43/179940543.db2.gz QPVHZMQTXLZAPN-JTQLQIEISA-N 1 0 289.335 2.354 10 0 CEAERO CCN(c1ccc(C)cc1)[C@](C)(C[NH3+])C(OC)OC ZINC000090266576 179942499 /nfs/dbraw/zinc/94/24/99/179942499.db2.gz CYXJBRPFIOIYBS-OAHLLOKOSA-N 1 0 266.385 2.158 10 0 CEAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1c1ccc(Br)cn1 ZINC000090333611 179964059 /nfs/dbraw/zinc/96/40/59/179964059.db2.gz RZXVAFZEYSZDAR-YUSALJHKSA-N 1 0 296.212 2.278 10 0 CEAERO CC(C)n1cccc1C(=O)N1C[C@@H]2C[NH2+]C[C@@H]2C1(C)C ZINC000090336083 179965171 /nfs/dbraw/zinc/96/51/71/179965171.db2.gz OUAHHHMASGOMOQ-STQMWFEESA-N 1 0 275.396 2.139 10 0 CEAERO Cc1ccccc1CN(C)C(=O)CSC[C@@H](C)[NH3+] ZINC000090343994 179969268 /nfs/dbraw/zinc/96/92/68/179969268.db2.gz FGWIILFBOIMIGE-GFCCVEGCSA-N 1 0 266.410 2.034 10 0 CEAERO [NH3+]CCCSCC(=O)N1CCC[C@H]1c1cccs1 ZINC000090344887 179970238 /nfs/dbraw/zinc/97/02/38/179970238.db2.gz MRTJDYSJDDYMQD-NSHDSACASA-N 1 0 284.450 2.494 10 0 CEAERO CC(C)CN(CC(C)C)C(=O)CSCCC[NH3+] ZINC000090344696 179970275 /nfs/dbraw/zinc/97/02/75/179970275.db2.gz ODWNCCZYJBPBRV-UHFFFAOYSA-N 1 0 260.447 2.209 10 0 CEAERO CC[NH2+][C@@](C)(C[C@H](C)OCCC(C)(C)C)C(N)=O ZINC000090350524 179971909 /nfs/dbraw/zinc/97/19/09/179971909.db2.gz VISFFFQEFWKNBV-FZMZJTMJSA-N 1 0 258.406 2.071 10 0 CEAERO CC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(Cl)cc1C ZINC000090488242 179991269 /nfs/dbraw/zinc/99/12/69/179991269.db2.gz UFFZWYUAOLJQMT-WCQYABFASA-N 1 0 282.771 2.211 10 0 CEAERO c1cn(-c2ccccc2)nc1CSCC1C[NH2+]C1 ZINC000090713387 180028449 /nfs/dbraw/zinc/02/84/49/180028449.db2.gz PKCJSHSYCKYKKV-UHFFFAOYSA-N 1 0 259.378 2.325 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1c1nnc(C)n1C1CCCC1 ZINC000090534628 179999411 /nfs/dbraw/zinc/99/94/11/179999411.db2.gz HNMYACUTBKTZGI-UONOGXRCSA-N 1 0 278.400 2.184 10 0 CEAERO Cc1cccc(NC(=O)CSCC2C[NH2+]C2)c1C ZINC000090712297 180028484 /nfs/dbraw/zinc/02/84/84/180028484.db2.gz RKHHRYHSVMWNET-UHFFFAOYSA-N 1 0 264.394 2.195 10 0 CEAERO CCCCN(CCCC)C(=O)[C@@H]1COC[C@@H]1[NH2+]CCC ZINC000090539659 180000274 /nfs/dbraw/zinc/00/02/74/180000274.db2.gz NOLIENPIFSMHHF-CABCVRRESA-N 1 0 284.444 2.430 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)Nc1cccc(SC)c1 ZINC000090538464 180000304 /nfs/dbraw/zinc/00/03/04/180000304.db2.gz OKOSLNSBWDHEKK-KGLIPLIRSA-N 1 0 294.420 2.362 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@H]1C(=O)N(C)C1CCC(C)CC1 ZINC000090541779 180000503 /nfs/dbraw/zinc/00/05/03/180000503.db2.gz UFRKXMXRMYEKBD-NEXFUWMNSA-N 1 0 282.428 2.038 10 0 CEAERO CCC[NH2+][C@H]1COC[C@H]1C(=O)N[C@@H](C)C1CCCCC1 ZINC000090544676 180000734 /nfs/dbraw/zinc/00/07/34/180000734.db2.gz CYGLJMKTHAABKN-CFVMTHIKSA-N 1 0 282.428 2.086 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1cccc(F)c1C ZINC000090544075 180000831 /nfs/dbraw/zinc/00/08/31/180000831.db2.gz HXCIFSJUIHYKKE-SMDDNHRTSA-N 1 0 280.343 2.087 10 0 CEAERO CCC[NH2+][C@@H]1COC[C@@H]1C(=O)Nc1ccc(F)c(C)c1 ZINC000090544858 180000917 /nfs/dbraw/zinc/00/09/17/180000917.db2.gz QTAZXLRTYQWDIG-GXTWGEPZSA-N 1 0 280.343 2.087 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)N1CCC(CCC)CC1 ZINC000090544570 180001019 /nfs/dbraw/zinc/00/10/19/180001019.db2.gz XMFBHKFCFVJBLQ-GJZGRUSLSA-N 1 0 282.428 2.040 10 0 CEAERO CCC[NH2+][C@H]1COC[C@@H]1C(=O)NC1CCC(CC)CC1 ZINC000090543768 180001269 /nfs/dbraw/zinc/00/12/69/180001269.db2.gz ITCQPZXBHCPWLL-WUCCLRPBSA-N 1 0 282.428 2.086 10 0 CEAERO CCCn1c2ccc(C)cc2nc1[C@@]1(C)COC[C@H]1[NH3+] ZINC000090571699 180007219 /nfs/dbraw/zinc/00/72/19/180007219.db2.gz LPGHYFYKFHVKAO-ZBFHGGJFSA-N 1 0 273.380 2.370 10 0 CEAERO CC(C)(C)n1c2ccccc2nc1[C@@]1(C)COC[C@H]1[NH3+] ZINC000090571674 180007608 /nfs/dbraw/zinc/00/76/08/180007608.db2.gz QDSYTZKJJUIBQN-CJNGLKHVSA-N 1 0 273.380 2.407 10 0 CEAERO C[C@]1(c2nc3ccc(F)cc3n2C2CC2)COC[C@@H]1[NH3+] ZINC000090571864 180007619 /nfs/dbraw/zinc/00/76/19/180007619.db2.gz MQFSCXQKVHNZPB-ZFWWWQNUSA-N 1 0 275.327 2.126 10 0 CEAERO C[C@@]1(C(=O)Nc2ccc(C(F)(F)F)cc2)COC[C@H]1[NH3+] ZINC000090580570 180008441 /nfs/dbraw/zinc/00/84/41/180008441.db2.gz IGHGYOCLQOOOMQ-ZYHUDNBSSA-N 1 0 288.269 2.008 10 0 CEAERO CC(C)c1cccc(NC(=O)[C@@]2(C)COC[C@@H]2[NH3+])c1 ZINC000090582354 180008562 /nfs/dbraw/zinc/00/85/62/180008562.db2.gz HDJMXRFUKTYWNQ-ZFWWWQNUSA-N 1 0 262.353 2.112 10 0 CEAERO C[C@]1(C(=O)Nc2ccc3sccc3c2)COC[C@H]1[NH3+] ZINC000090586462 180009205 /nfs/dbraw/zinc/00/92/05/180009205.db2.gz YTXIYCMVIRAXCW-OCCSQVGLSA-N 1 0 276.361 2.204 10 0 CEAERO C[C@@]1(C(=O)Nc2ccc3ccccc3c2)COC[C@@H]1[NH3+] ZINC000090585800 180009332 /nfs/dbraw/zinc/00/93/32/180009332.db2.gz FAGHZMHRZGHYHB-GOEBONIOSA-N 1 0 270.332 2.142 10 0 CEAERO C[C@]1(C(=O)Nc2ccc3sccc3c2)COC[C@@H]1[NH3+] ZINC000090586460 180009432 /nfs/dbraw/zinc/00/94/32/180009432.db2.gz YTXIYCMVIRAXCW-JSGCOSHPSA-N 1 0 276.361 2.204 10 0 CEAERO Cc1ccc(-c2noc(CSCC3C[NH2+]C3)n2)cc1 ZINC000090713174 180028914 /nfs/dbraw/zinc/02/89/14/180028914.db2.gz GNCXUSNFQGPWAN-UHFFFAOYSA-N 1 0 275.377 2.498 10 0 CEAERO C[NH+]1CCN(CCc2cc3cc(C=O)ccc3o2)CC1 ZINC000090669314 180020127 /nfs/dbraw/zinc/02/01/27/180020127.db2.gz SYEIZXRZACJARV-UHFFFAOYSA-N 1 0 272.348 2.035 10 0 CEAERO Cc1cc(C=O)cc(C)c1OCCCN1CC[NH+](C)CC1 ZINC000090668812 180020266 /nfs/dbraw/zinc/02/02/66/180020266.db2.gz QDYBGTQPASUNGQ-UHFFFAOYSA-N 1 0 290.407 2.132 10 0 CEAERO C[C@H](OCCOc1cccc(C[NH3+])c1)C(F)(F)F ZINC000090671922 180021181 /nfs/dbraw/zinc/02/11/81/180021181.db2.gz VEDCHHLKXJLLAC-VIFPVBQESA-N 1 0 263.259 2.492 10 0 CEAERO C[C@H](Oc1ccc(C(N)=[NH2+])cc1F)C(F)(F)F ZINC000090673168 180021614 /nfs/dbraw/zinc/02/16/14/180021614.db2.gz NKRYEKYLZHUPCY-YFKPBYRVSA-N 1 0 250.195 2.439 10 0 CEAERO C[NH2+][C@@](C)(CO)CCCCO[C@@H](C)C(F)(F)F ZINC000090675988 180022423 /nfs/dbraw/zinc/02/24/23/180022423.db2.gz FLAOZEMXXKASRC-VHSXEESVSA-N 1 0 257.296 2.095 10 0 CEAERO CC[NH2+]Cc1cc(CO[C@H](C)C(F)(F)F)on1 ZINC000090675457 180022540 /nfs/dbraw/zinc/02/25/40/180022540.db2.gz CWJCBRZIURSAQT-SSDOTTSWSA-N 1 0 252.236 2.252 10 0 CEAERO CCC[NH2+]Cc1ccc(O[C@H](C)C(F)(F)F)nn1 ZINC000090675423 180022609 /nfs/dbraw/zinc/02/26/09/180022609.db2.gz CSTKDENEKVBRSU-MRVPVSSYSA-N 1 0 263.263 2.306 10 0 CEAERO CCOCCC[NH2+]C[C@H](C)O[C@@H](C)C(F)(F)F ZINC000090675787 180022638 /nfs/dbraw/zinc/02/26/38/180022638.db2.gz DHWYFWTZSPMKIK-UWVGGRQHSA-N 1 0 257.296 2.359 10 0 CEAERO CCOc1cc(NC2(C[NH3+])CCC(C)CC2)ncn1 ZINC000090784812 180039977 /nfs/dbraw/zinc/03/99/77/180039977.db2.gz SMUYJHCBLVEPEW-UHFFFAOYSA-N 1 0 264.373 2.195 10 0 CEAERO CCCOc1cc(Nc2ccccc2C[NH3+])ncn1 ZINC000090785701 180040036 /nfs/dbraw/zinc/04/00/36/180040036.db2.gz MSQKKKNAISYPLF-UHFFFAOYSA-N 1 0 258.325 2.468 10 0 CEAERO CCCOc1cc(N[C@H](C[NH3+])Cc2ccccc2)ncn1 ZINC000090785706 180040134 /nfs/dbraw/zinc/04/01/34/180040134.db2.gz DZMONPBGKDVSIA-AWEZNQCLSA-N 1 0 286.379 2.247 10 0 CEAERO CC(C)Oc1cc(NC[C@@H]2CCCC[C@@H]2[NH3+])ncn1 ZINC000090786660 180040851 /nfs/dbraw/zinc/04/08/51/180040851.db2.gz ZMEPFQQMZQWNTD-RYUDHWBXSA-N 1 0 264.373 2.193 10 0 CEAERO CCOc1ncnc(NCc2ccccc2C[NH3+])c1C ZINC000090789596 180042263 /nfs/dbraw/zinc/04/22/63/180042263.db2.gz JACKQTRABIKNDD-UHFFFAOYSA-N 1 0 272.352 2.255 10 0 CEAERO C[C@H](C[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2)[S@](C)=O ZINC000090841660 180043316 /nfs/dbraw/zinc/04/33/16/180043316.db2.gz JKMAWJVUGZMOBU-XAAFQQQXSA-N 1 0 297.420 2.266 10 0 CEAERO C[C@H](C[NH2+][C@@H](C)c1ccc(F)c(F)c1)[S@](C)=O ZINC000090841302 180043754 /nfs/dbraw/zinc/04/37/54/180043754.db2.gz YXJJOJXZFFXTBE-KSRUKNBBSA-N 1 0 261.337 2.382 10 0 CEAERO Cc1ncsc1CN(C)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000104449429 186005608 /nfs/dbraw/zinc/00/56/08/186005608.db2.gz WGMOSQNMNAQHCT-RYUDHWBXSA-N 1 0 253.415 2.401 10 0 CEAERO CC[NH2+][C@@H]1C[C@@H](OC[C@@H]2CCCO2)C12CCCC2 ZINC000090856668 180047135 /nfs/dbraw/zinc/04/71/35/180047135.db2.gz IAPLMADBEVZNNZ-BFHYXJOUSA-N 1 0 253.386 2.493 10 0 CEAERO CC[NH2+][C@@H]1C[C@@H](OC[C@@H]2CCOC2)C12CCCC2 ZINC000090862904 180047275 /nfs/dbraw/zinc/04/72/75/180047275.db2.gz VNBOPXUBGRMZEO-MGPQQGTHSA-N 1 0 253.386 2.350 10 0 CEAERO CC[NH2+]Cc1cccc(S[C@H](C)C(=O)N(C)C)c1 ZINC000090871085 180048943 /nfs/dbraw/zinc/04/89/43/180048943.db2.gz NYIXLLOAPAPABM-LLVKDONJSA-N 1 0 266.410 2.365 10 0 CEAERO C[NH2+]Cc1cccc(SC[C@@H](O)C(F)(F)F)c1 ZINC000090870850 180049264 /nfs/dbraw/zinc/04/92/64/180049264.db2.gz RZASSOINHMXSMQ-SNVBAGLBSA-N 1 0 265.300 2.421 10 0 CEAERO CCC[NH2+]Cc1cccc(SCC(=O)OC)c1 ZINC000090871399 180049798 /nfs/dbraw/zinc/04/97/98/180049798.db2.gz QIOLSAPWGMWAHA-UHFFFAOYSA-N 1 0 253.367 2.451 10 0 CEAERO CC[NH2+]Cc1cccc(SCC(=O)NC(C)C)c1 ZINC000090871370 180050076 /nfs/dbraw/zinc/05/00/76/180050076.db2.gz VAMHMNKFHOHUOA-UHFFFAOYSA-N 1 0 266.410 2.413 10 0 CEAERO CC(C)(C)[NH2+]Cc1cccc(SCC(N)=O)c1 ZINC000090872639 180050211 /nfs/dbraw/zinc/05/02/11/180050211.db2.gz PLBJVLWDILJNJP-UHFFFAOYSA-N 1 0 252.383 2.152 10 0 CEAERO CC(=O)[C@@H]1CCC[N@H+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000090874988 180050604 /nfs/dbraw/zinc/05/06/04/180050604.db2.gz OOQXZBOPFMPTFW-CABCVRRESA-N 1 0 259.349 2.291 10 0 CEAERO C[C@@H]1CN(C[C@@H]2Cc3ccccc3O2)C(C)(C)C[NH2+]1 ZINC000090878280 180051658 /nfs/dbraw/zinc/05/16/58/180051658.db2.gz FCUILNIPQWSVFL-OCCSQVGLSA-N 1 0 260.381 2.062 10 0 CEAERO CC[C@]1(C)C[NH2+]CCN1C[C@@H]1Cc2ccccc2O1 ZINC000090878256 180051693 /nfs/dbraw/zinc/05/16/93/180051693.db2.gz JWSAGLYFCYZDMJ-GOEBONIOSA-N 1 0 260.381 2.064 10 0 CEAERO OCC[N@H+](C[C@H]1Cc2ccccc2O1)C1CCCC1 ZINC000090876818 180052335 /nfs/dbraw/zinc/05/23/35/180052335.db2.gz KZZLBNHJYDGGQS-OAHLLOKOSA-N 1 0 261.365 2.227 10 0 CEAERO COC[C@H]([NH2+]C[C@H]1Cc2cc(F)ccc2O1)C(C)C ZINC000090892966 180055201 /nfs/dbraw/zinc/05/52/01/180055201.db2.gz PGICMBNUTNCQKU-KGLIPLIRSA-N 1 0 267.344 2.390 10 0 CEAERO CC(C)(C)[C@H]1CN(C[C@@H]2Cc3cc(F)ccc3O2)CC[NH2+]1 ZINC000090896104 180055984 /nfs/dbraw/zinc/05/59/84/180055984.db2.gz HYXBZWCSMZAHCN-GOEBONIOSA-N 1 0 292.398 2.449 10 0 CEAERO C[C@]1(C2CC2)CN(C[C@@H]2Cc3cc(F)ccc3O2)CC[NH2+]1 ZINC000090896115 180056394 /nfs/dbraw/zinc/05/63/94/180056394.db2.gz CNKCSOCQPNHURX-DOTOQJQBSA-N 1 0 290.382 2.203 10 0 CEAERO Cc1ccc2c(c1)C[C@@H](C[NH2+][C@@H](CO)CC(C)C)O2 ZINC000090897555 180057020 /nfs/dbraw/zinc/05/70/20/180057020.db2.gz HGYQZCCTNHFECC-CABCVRRESA-N 1 0 263.381 2.295 10 0 CEAERO CCCN(C[C@H]1Cc2cc(Cl)ccc2O1)C1C[NH2+]C1 ZINC000090900338 180058592 /nfs/dbraw/zinc/05/85/92/180058592.db2.gz OTFCPQJMUBQLNV-CQSZACIVSA-N 1 0 280.799 2.327 10 0 CEAERO CC(C)(O)C[NH2+]C[C@H]1Cc2cc(Cl)ccc2O1 ZINC000090905140 180059551 /nfs/dbraw/zinc/05/95/51/180059551.db2.gz JBSHKYWYMAYODG-LLVKDONJSA-N 1 0 255.745 2.004 10 0 CEAERO Cc1ccc2c(c1)C[C@H](C[C@]1(CO)CCC[NH2+]C1)O2 ZINC000090902815 180060012 /nfs/dbraw/zinc/06/00/12/180060012.db2.gz KMEGYWJDTGUPRH-GDBMZVCRSA-N 1 0 261.365 2.051 10 0 CEAERO CC[C@]1(C)CN(C[C@@H]2Cc3cc(C)ccc3O2)CC[NH2+]1 ZINC000090902433 180060098 /nfs/dbraw/zinc/06/00/98/180060098.db2.gz KYCYNZFMFCRVPB-DOTOQJQBSA-N 1 0 274.408 2.372 10 0 CEAERO C[C@H]([NH2+]C[C@H]1Cc2cc(Cl)ccc2O1)c1nncn1C ZINC000090904519 180060217 /nfs/dbraw/zinc/06/02/17/180060217.db2.gz FRJMUQNGDWJGPT-JOYOIKCWSA-N 1 0 292.770 2.123 10 0 CEAERO C[C@@](C[NH3+])(CCc1ccccc1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905824 180060798 /nfs/dbraw/zinc/06/07/98/180060798.db2.gz HCBAIQFBQBSZDY-BBWFWOEESA-N 1 0 274.408 2.200 10 0 CEAERO CC[NH2+][C@@H](CN1C[C@H]2CC[C@@H](C1)O2)c1ccccc1OC ZINC000090906085 180061240 /nfs/dbraw/zinc/06/12/40/180061240.db2.gz QTJCOQAFDICVGS-LZWOXQAQSA-N 1 0 290.407 2.209 10 0 CEAERO C[C@H](C[NH2+]Cc1cccs1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090908030 180061592 /nfs/dbraw/zinc/06/15/92/180061592.db2.gz AHQZSPUYFWUTFX-UPJWGTAASA-N 1 0 266.410 2.089 10 0 CEAERO CC(C)[NH2+]Cc1cnc(N2C[C@H]3CC[C@@H](C2)O3)s1 ZINC000090908107 180061595 /nfs/dbraw/zinc/06/15/95/180061595.db2.gz GHORDEGCDHFGQE-PHIMTYICSA-N 1 0 267.398 2.009 10 0 CEAERO C[NH2+][C@H]1CCCc2nc(N3C[C@H]4CC[C@@H](C3)O4)sc21 ZINC000090908113 180062273 /nfs/dbraw/zinc/06/22/73/180062273.db2.gz DYNORSVXSHUSRG-AXFHLTTASA-N 1 0 279.409 2.108 10 0 CEAERO c1cc(CN2C[C@H]3CC[C@@H](C2)O3)ccc1C[NH2+]C1CC1 ZINC000090907924 180062283 /nfs/dbraw/zinc/06/22/83/180062283.db2.gz DBWYUSGHYREQRQ-CALCHBBNSA-N 1 0 272.392 2.302 10 0 CEAERO CCO[C@H]1CCCN(Cc2csc([C@@H](C)[NH3+])n2)C1 ZINC000090958298 180074754 /nfs/dbraw/zinc/07/47/54/180074754.db2.gz NBPRYEUUUSDPQU-PWSUYJOCSA-N 1 0 269.414 2.164 10 0 CEAERO CCOC[C@@H](C)[NH2+]Cc1sccc1NC(C)=O ZINC000090960518 180075311 /nfs/dbraw/zinc/07/53/11/180075311.db2.gz ALVFWNJABCWREM-SECBINFHSA-N 1 0 256.371 2.221 10 0 CEAERO CC(=O)Nc1ccsc1C[NH2+]C1CCC(O)CC1 ZINC000090958984 180075325 /nfs/dbraw/zinc/07/53/25/180075325.db2.gz FZOFSIXDNRJLLD-UHFFFAOYSA-N 1 0 268.382 2.100 10 0 CEAERO CC(C)C(=O)N1CCC([NH2+]Cc2sccc2N)CC1 ZINC000090960083 180075465 /nfs/dbraw/zinc/07/54/65/180075465.db2.gz PGAFWUFVBCDMKM-UHFFFAOYSA-N 1 0 281.425 2.067 10 0 CEAERO CC(C)C[C@@H](C[NH2+]Cc1ccccc1N)N1CCOCC1 ZINC000090961280 180076399 /nfs/dbraw/zinc/07/63/99/180076399.db2.gz PNGFRZPHCOLFFY-INIZCTEOSA-N 1 0 291.439 2.105 10 0 CEAERO [NH3+][C@H](c1ccc2c(c1)C(=O)NCC2)[C@@H]1Cc2ccccc21 ZINC000090984379 180080014 /nfs/dbraw/zinc/08/00/14/180080014.db2.gz JDOJDSGTDOBQCE-IAGOWNOFSA-N 1 0 278.355 2.312 10 0 CEAERO O=C([C@@H]1Cc2ccccc21)N1CCC[C@H]1C1CC[NH2+]CC1 ZINC000090983783 180080016 /nfs/dbraw/zinc/08/00/16/180080016.db2.gz HVMOROIZUAWLGK-SJORKVTESA-N 1 0 284.403 2.317 10 0 CEAERO [NH3+][C@H](c1ccc2c(c1)C(=O)NCC2)[C@H]1Cc2ccccc21 ZINC000090984378 180080051 /nfs/dbraw/zinc/08/00/51/180080051.db2.gz JDOJDSGTDOBQCE-DLBZAZTESA-N 1 0 278.355 2.312 10 0 CEAERO c1ccc2c(c1)C[C@@H]2c1nnc(CC[NH2+]C2CC2)o1 ZINC000090986846 180080573 /nfs/dbraw/zinc/08/05/73/180080573.db2.gz URKPHBGZNKOFMQ-ZDUSSCGKSA-N 1 0 255.321 2.052 10 0 CEAERO [NH3+]CCC[C@H]1CCCN1C(=O)[C@@H]1Cc2ccccc21 ZINC000090987205 180080876 /nfs/dbraw/zinc/08/08/76/180080876.db2.gz YWWVDGDZHACLGY-DZGCQCFKSA-N 1 0 258.365 2.056 10 0 CEAERO CCC[NH2+][C@H]1CCCN(C[C@@H]2Cc3ccccc32)C1=O ZINC000090993382 180081873 /nfs/dbraw/zinc/08/18/73/180081873.db2.gz RNOIGDUDVVVVLN-HOCLYGCPSA-N 1 0 272.392 2.317 10 0 CEAERO CC(C)C[NH2+]Cc1cn(CC(=O)N(C)C)c2ccccc12 ZINC000090995640 180082683 /nfs/dbraw/zinc/08/26/83/180082683.db2.gz FMKASMXJEWSTTF-UHFFFAOYSA-N 1 0 287.407 2.475 10 0 CEAERO CC[NH2+]Cc1cn(Cc2nnc(C)n2C)c2ccccc12 ZINC000090995380 180082778 /nfs/dbraw/zinc/08/27/78/180082778.db2.gz URBCORSWMVSPDA-UHFFFAOYSA-N 1 0 283.379 2.236 10 0 CEAERO C[NH2+]Cc1cn(Cc2noc(C)n2)c2ccccc12 ZINC000090995331 180082910 /nfs/dbraw/zinc/08/29/10/180082910.db2.gz NJWXNDHSVAHOIO-UHFFFAOYSA-N 1 0 256.309 2.100 10 0 CEAERO CCn1ncnc1Cn1cccc1C[NH2+]C(C)(C)C ZINC000091001771 180083317 /nfs/dbraw/zinc/08/33/17/180083317.db2.gz NRFNBEPNMBPIFP-UHFFFAOYSA-N 1 0 261.373 2.036 10 0 CEAERO CC[NH2+]Cc1cccn1CCOCC(F)(F)F ZINC000090995972 180083322 /nfs/dbraw/zinc/08/33/22/180083322.db2.gz ZRRHUANFCYMAEP-UHFFFAOYSA-N 1 0 250.264 2.177 10 0 CEAERO Cc1nn(CCn2ccnc2)c(C)c1C[NH2+]CC(C)C ZINC000091002310 180083769 /nfs/dbraw/zinc/08/37/69/180083769.db2.gz SUUCVGYVONUPTL-UHFFFAOYSA-N 1 0 275.400 2.142 10 0 CEAERO C[NH2+]Cc1ccn(Cc2ncc(C)c(OC)c2C)c1 ZINC000091002931 180083851 /nfs/dbraw/zinc/08/38/51/180083851.db2.gz XKMQNLSZHCYERW-UHFFFAOYSA-N 1 0 259.353 2.276 10 0 CEAERO CCc1cc(Cn2cccc2C[NH2+]CCOC)n(CC)n1 ZINC000091002226 180083949 /nfs/dbraw/zinc/08/39/49/180083949.db2.gz IRIDLTQUIGJPHQ-UHFFFAOYSA-N 1 0 290.411 2.051 10 0 CEAERO CCOc1ccccc1OCCn1cccc1CC[NH3+] ZINC000091004984 180084870 /nfs/dbraw/zinc/08/48/70/180084870.db2.gz NOHMQVYASWFYHA-UHFFFAOYSA-N 1 0 274.364 2.467 10 0 CEAERO CCn1ccc(C[NH2+]C[C@@H](CC(C)C)N2CCOCC2)c1 ZINC000091009830 180086245 /nfs/dbraw/zinc/08/62/45/180086245.db2.gz VCNVVDFPWVIVNF-QGZVFWFLSA-N 1 0 293.455 2.345 10 0 CEAERO CCCNC(=O)Cn1cc(C[NH2+]CCC)c2cccnc21 ZINC000091020348 180087718 /nfs/dbraw/zinc/08/77/18/180087718.db2.gz UKTOSJAGUMVRRC-UHFFFAOYSA-N 1 0 288.395 2.062 10 0 CEAERO CC[NH2+]Cc1cn(CC(=O)N[C@@H](C)CC)c2ncccc12 ZINC000091020096 180088215 /nfs/dbraw/zinc/08/82/15/180088215.db2.gz SBTFCAQIIKXDPE-LBPRGKRZSA-N 1 0 288.395 2.061 10 0 CEAERO C[C@@H]([NH3+])Cc1cn(CC[C@@H]2CCCO2)c2ncccc12 ZINC000091021714 180088789 /nfs/dbraw/zinc/08/87/89/180088789.db2.gz HFNPISRELFOGHU-OCCSQVGLSA-N 1 0 273.380 2.495 10 0 CEAERO CCNC(=O)Cn1cc(C[NH2+]C(C)(C)C)c2cccnc21 ZINC000091021093 180088969 /nfs/dbraw/zinc/08/89/69/180088969.db2.gz KDKFNXYANCQQGM-UHFFFAOYSA-N 1 0 288.395 2.061 10 0 CEAERO CCCn1cccc1C[NH2+][C@H](CC(C)C)C(=O)NC ZINC000091025283 180089285 /nfs/dbraw/zinc/08/92/85/180089285.db2.gz RZMZRDLLBWLOPC-CQSZACIVSA-N 1 0 265.401 2.148 10 0 CEAERO C[C@@H]([NH3+])c1nc(-c2nc(-c3ccncc3)no2)cs1 ZINC000090938547 180068412 /nfs/dbraw/zinc/06/84/12/180068412.db2.gz PJKVMOPYMZNMTC-SSDOTTSWSA-N 1 0 273.321 2.275 10 0 CEAERO C[C@@H]([NH3+])c1nc(-c2nncn2-c2ccccc2)cs1 ZINC000090945152 180069753 /nfs/dbraw/zinc/06/97/53/180069753.db2.gz MJSKTEIOTONLPG-SECBINFHSA-N 1 0 271.349 2.411 10 0 CEAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CCC[NH2+][C@@H]21 ZINC000669385044 539766490 /nfs/dbraw/zinc/76/64/90/539766490.db2.gz UZPSRRZDYUNCBW-UTUOFQBUSA-N 1 0 254.374 2.432 10 0 CEAERO CC(C)NC(=O)C[C@H](C[NH3+])N(C)[C@@H](C)c1ccccc1F ZINC000091318700 180133796 /nfs/dbraw/zinc/13/37/96/180133796.db2.gz OCOJYEWNAURSHQ-QWHCGFSZSA-N 1 0 295.402 2.061 10 0 CEAERO CCCNC(=O)C[C@H](C[NH3+])N1CCCCc2ccccc21 ZINC000091317858 180133797 /nfs/dbraw/zinc/13/37/97/180133797.db2.gz GUDMWDISPFNNED-OAHLLOKOSA-N 1 0 289.423 2.073 10 0 CEAERO CCN(CC)C(=O)C[C@H](C[NH3+])N(CC)Cc1ccccc1 ZINC000091322619 180134662 /nfs/dbraw/zinc/13/46/62/180134662.db2.gz QZQHZOVADYZYAT-MRXNPFEDSA-N 1 0 291.439 2.094 10 0 CEAERO CCc1c(C[NH2+]CCOC)cnn1-c1ccc(OC)cc1 ZINC000091338779 180136317 /nfs/dbraw/zinc/13/63/17/180136317.db2.gz SOYUHYYHHJNAFZ-UHFFFAOYSA-N 1 0 289.379 2.179 10 0 CEAERO C[C@@H]1CN(C[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)CCO1 ZINC000091362032 180141476 /nfs/dbraw/zinc/14/14/76/180141476.db2.gz SUDMZWLCIJBCBA-QPSCCSFWSA-N 1 0 252.402 2.018 10 0 CEAERO COc1ccc(OC)c([C@@H]([NH3+])CSC[C@H](C)CO)c1 ZINC000091261624 180116017 /nfs/dbraw/zinc/11/60/17/180116017.db2.gz URUVTHDCQMBBPH-MFKMUULPSA-N 1 0 285.409 2.065 10 0 CEAERO C[C@@H](CCO)Sc1c(C(N)=[NH2+])cnc2ccccc21 ZINC000091264005 180116376 /nfs/dbraw/zinc/11/63/76/180116376.db2.gz UQEOKJUCHIZZSL-VIFPVBQESA-N 1 0 275.377 2.382 10 0 CEAERO CC(C)n1cncc1CN1CCCC[C@H]1CC[NH3+] ZINC000091273036 180117930 /nfs/dbraw/zinc/11/79/30/180117930.db2.gz VNDJEMHWNABDRM-ZDUSSCGKSA-N 1 0 250.390 2.167 10 0 CEAERO CC[C@H]1CN(Cc2cncn2C(C)C)[C@@H](CC)C[NH2+]1 ZINC000091273072 180118164 /nfs/dbraw/zinc/11/81/64/180118164.db2.gz ZDGQZMISRPMLEG-KBPBESRZSA-N 1 0 264.417 2.426 10 0 CEAERO C[NH2+]C[C@H]1CCCCN(C)[C@@H]1c1cncn1C1CC1 ZINC000091275487 180118587 /nfs/dbraw/zinc/11/85/87/180118587.db2.gz WOCVNMGWPQISTO-DOMZBBRYSA-N 1 0 262.401 2.210 10 0 CEAERO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1cncn1C1CC1 ZINC000091275023 180119077 /nfs/dbraw/zinc/11/90/77/180119077.db2.gz JOLKGVPDVACDJK-AWEZNQCLSA-N 1 0 271.368 2.119 10 0 CEAERO CCCN(CCC)[C@@H](C[NH3+])c1cncn1C1CC1 ZINC000091276188 180119232 /nfs/dbraw/zinc/11/92/32/180119232.db2.gz UVEBAUNTBZMDAL-ZDUSSCGKSA-N 1 0 250.390 2.340 10 0 CEAERO Cc1cc([C@H](C)NC(=O)C[C@@H]2CSCC[NH2+]2)c(C)o1 ZINC000091290657 180121630 /nfs/dbraw/zinc/12/16/30/180121630.db2.gz XWJXRHGHUBGAED-CMPLNLGQSA-N 1 0 282.409 2.169 10 0 CEAERO O=C(C[C@H]1CSCC[NH2+]1)Nc1cc(F)cc(F)c1F ZINC000091291129 180122663 /nfs/dbraw/zinc/12/26/63/180122663.db2.gz CQLHEFJKICJINV-QMMMGPOBSA-N 1 0 290.310 2.138 10 0 CEAERO COc1cccc(CN(C)CC[C@H]2CSCC[NH2+]2)c1 ZINC000091292076 180123687 /nfs/dbraw/zinc/12/36/87/180123687.db2.gz FRMDVKLROCXSAL-AWEZNQCLSA-N 1 0 280.437 2.222 10 0 CEAERO C[C@@H]1C[C@H](OC(=O)C[C@@H]2C[NH2+]CCO2)CC(C)(C)C1 ZINC000091295279 180124770 /nfs/dbraw/zinc/12/47/70/180124770.db2.gz NEARMHMMOWMLEB-FRRDWIJNSA-N 1 0 269.385 2.123 10 0 CEAERO C[C@@H]1C[C@@H](OC(=O)C[C@@H]2C[NH2+]CCO2)CC(C)(C)C1 ZINC000091295281 180124848 /nfs/dbraw/zinc/12/48/48/180124848.db2.gz NEARMHMMOWMLEB-JHJVBQTASA-N 1 0 269.385 2.123 10 0 CEAERO Cc1ccc(CN2CCN(C3CC[NH2+]CC3)C2=O)cc1C ZINC000091500014 180174874 /nfs/dbraw/zinc/17/48/74/180174874.db2.gz XARURUOKTVDCNV-UHFFFAOYSA-N 1 0 287.407 2.293 10 0 CEAERO CCCc1nc(N2CCC[C@@H]([NH+](C)C)C2)sc1C=O ZINC000091433260 180154316 /nfs/dbraw/zinc/15/43/16/180154316.db2.gz CAGFLWJDERYMKI-LLVKDONJSA-N 1 0 281.425 2.439 10 0 CEAERO CC(C)(C)[NH2+]Cc1cncc(OCC2CCOCC2)n1 ZINC000091435162 180154636 /nfs/dbraw/zinc/15/46/36/180154636.db2.gz XVMGQDJVUARJPK-UHFFFAOYSA-N 1 0 279.384 2.170 10 0 CEAERO CC1CCC(CO)(C[N@@H+]2CCC[C@@H](N(C)C)C2)CC1 ZINC000091450288 180158157 /nfs/dbraw/zinc/15/81/57/180158157.db2.gz BBGHGFRCUZWGSR-HWOWSKLDSA-N 1 0 268.445 2.201 10 0 CEAERO O=C(c1ccncc1Cl)N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000091456856 180160256 /nfs/dbraw/zinc/16/02/56/180160256.db2.gz CSXAQAXRVIKCEC-STQMWFEESA-N 1 0 279.771 2.092 10 0 CEAERO Cc1ccc([C@@H]([C@@H](C)[NH3+])N(C)CC2CC(O)C2)s1 ZINC000091464601 180162996 /nfs/dbraw/zinc/16/29/96/180162996.db2.gz MHFSOJSAKGVLHN-MLCFOIATSA-N 1 0 268.426 2.148 10 0 CEAERO Cc1ccc([C@H]([C@H](C)[NH3+])N(C)CC2CC(O)C2)s1 ZINC000091464607 180163026 /nfs/dbraw/zinc/16/30/26/180163026.db2.gz MHFSOJSAKGVLHN-BBCYWQGDSA-N 1 0 268.426 2.148 10 0 CEAERO CC[NH2+]CC[C@](C)(O)Cc1cc(C)ccc1OC ZINC000091469323 180164779 /nfs/dbraw/zinc/16/47/79/180164779.db2.gz LXGXFLYWKFBCNP-HNNXBMFYSA-N 1 0 251.370 2.297 10 0 CEAERO C[NH2+]CC1CC(OCc2ccc(OC)c(OC)c2)C1 ZINC000091472771 180165665 /nfs/dbraw/zinc/16/56/65/180165665.db2.gz MAFAQKAZVAKRFQ-UHFFFAOYSA-N 1 0 265.353 2.218 10 0 CEAERO CC1(C)C(C(=O)N2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1(C)C ZINC000091492682 180170420 /nfs/dbraw/zinc/17/04/20/180170420.db2.gz UFFHEBVGOUHHMY-NWDGAFQWSA-N 1 0 264.413 2.412 10 0 CEAERO COc1cc(OC)cc(OCCCCC(N)=[NH2+])c1 ZINC000104840989 186028143 /nfs/dbraw/zinc/02/81/43/186028143.db2.gz WKGPSAIGMUARHY-UHFFFAOYSA-N 1 0 252.314 2.189 10 0 CEAERO CC1(C)C(C(=O)NC[C@H]2CCCC[C@@H]2[NH3+])C1(C)C ZINC000091494722 180171463 /nfs/dbraw/zinc/17/14/63/180171463.db2.gz XHIQHZFOPIGYMK-MNOVXSKESA-N 1 0 252.402 2.302 10 0 CEAERO CC1(C)C(C(=O)N[C@@H](C[NH3+])c2ccccc2)C1(C)C ZINC000091494701 180171530 /nfs/dbraw/zinc/17/15/30/180171530.db2.gz DMDDFFNCPUZPQZ-LBPRGKRZSA-N 1 0 260.381 2.485 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)Nc1ccccc1F ZINC000091496768 180172637 /nfs/dbraw/zinc/17/26/37/180172637.db2.gz SOJDSZKFCFUSGJ-MWLCHTKSSA-N 1 0 251.305 2.088 10 0 CEAERO CC(C)Oc1cccc(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000091496662 180172720 /nfs/dbraw/zinc/17/27/20/180172720.db2.gz SVADPZMFWOQHJA-DOMZBBRYSA-N 1 0 276.380 2.344 10 0 CEAERO C[NH+](C)[C@@H]1CCCN(CC(=O)c2ccc3c(c2)CCC3)C1 ZINC000091394271 180146679 /nfs/dbraw/zinc/14/66/79/180146679.db2.gz VWPIOGCUPLLJHH-QGZVFWFLSA-N 1 0 286.419 2.384 10 0 CEAERO CC[C@@H](NC(=O)C1C[NH2+]C1)c1ccc(Br)cc1 ZINC000091406564 180147850 /nfs/dbraw/zinc/14/78/50/180147850.db2.gz GGYJTEFSJUMWNM-GFCCVEGCSA-N 1 0 297.196 2.236 10 0 CEAERO c1ncc(CNC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000091409059 180148273 /nfs/dbraw/zinc/14/82/73/180148273.db2.gz UARJSTFRQOUNGQ-UHFFFAOYSA-N 1 0 271.364 2.429 10 0 CEAERO C[C@@H](NC(=O)C1C[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000091415038 180148906 /nfs/dbraw/zinc/14/89/06/180148906.db2.gz TVAKZUWYXTVLNW-SSDOTTSWSA-N 1 0 273.163 2.390 10 0 CEAERO CN(Cc1ccc(Cl)s1)c1cncc(C[NH3+])n1 ZINC000091419962 180150786 /nfs/dbraw/zinc/15/07/86/180150786.db2.gz KRFDEJKAIJKMCV-UHFFFAOYSA-N 1 0 268.773 2.287 10 0 CEAERO CC(C)(C)[NH2+]Cc1cncc(-n2nnc3ccccc32)n1 ZINC000091422390 180151190 /nfs/dbraw/zinc/15/11/90/180151190.db2.gz CIPXIAFMOJXPSX-UHFFFAOYSA-N 1 0 282.351 2.099 10 0 CEAERO CCC[NH2+]Cc1cncc(-n2nc(C)c(Cl)c2C)n1 ZINC000091422262 180151320 /nfs/dbraw/zinc/15/13/20/180151320.db2.gz TXNOIPMEPVUZIJ-UHFFFAOYSA-N 1 0 279.775 2.432 10 0 CEAERO CCC[NH+]1CCC(Nc2c(N)c(C)nn2CC)CC1 ZINC000091558653 180191018 /nfs/dbraw/zinc/19/10/18/180191018.db2.gz XRJVNVOLQCKULH-UHFFFAOYSA-N 1 0 265.405 2.080 10 0 CEAERO C[NH2+][C@H](Cc1cc(C)nn1C)C(C)(C)N1CCCCC1 ZINC000091564883 180193264 /nfs/dbraw/zinc/19/32/64/180193264.db2.gz LHVWISYDCRMSHZ-OAHLLOKOSA-N 1 0 278.444 2.124 10 0 CEAERO CC(C)([C@H]([NH3+])c1cc(F)ccc1F)N1CCOCC1 ZINC000091566060 180193949 /nfs/dbraw/zinc/19/39/49/180193949.db2.gz DQMLAYIYLLTCKO-CYBMUJFWSA-N 1 0 270.323 2.075 10 0 CEAERO Cc1cc(C)cc(C[C@H]([NH3+])C(C)(C)N2CCOCC2)c1 ZINC000091566401 180194071 /nfs/dbraw/zinc/19/40/71/180194071.db2.gz FZXYAGHKBFMGTE-INIZCTEOSA-N 1 0 276.424 2.284 10 0 CEAERO CC(C)([C@@H]([NH3+])c1c(F)cccc1F)N1CCOCC1 ZINC000091566198 180194171 /nfs/dbraw/zinc/19/41/71/180194171.db2.gz GQOXOFRUMROLDH-ZDUSSCGKSA-N 1 0 270.323 2.075 10 0 CEAERO CCC[NH2+][C@H](CC1CC1)C(C)(C)N1CCOCC1 ZINC000091567147 180195118 /nfs/dbraw/zinc/19/51/18/180195118.db2.gz FTRZFMCPOGCYJB-CQSZACIVSA-N 1 0 254.418 2.266 10 0 CEAERO CCn1nc(C)c(Cl)c1C[C@H](O)[C@@](C)(CC)[NH+](C)C ZINC000091569579 180195414 /nfs/dbraw/zinc/19/54/14/180195414.db2.gz LSIBLXMWHDZZBW-GXTWGEPZSA-N 1 0 287.835 2.499 10 0 CEAERO CC[C@](C)([C@H](N)Cc1nn(C)c2ccccc12)[NH+](C)C ZINC000091569741 180195539 /nfs/dbraw/zinc/19/55/39/180195539.db2.gz NVWXCNZDTGRXNU-HZPDHXFCSA-N 1 0 274.412 2.173 10 0 CEAERO CCCn1cc([C@H]([NH2+]C)[C@@](C)(CC)N(C)C)cn1 ZINC000091570776 180195727 /nfs/dbraw/zinc/19/57/27/180195727.db2.gz KFFONBNOGOVLJY-UONOGXRCSA-N 1 0 252.406 2.284 10 0 CEAERO CC[NH2+][C@@H](Cc1cnn(CC)c1)[C@@](C)(CC)N(C)C ZINC000091571195 180195817 /nfs/dbraw/zinc/19/58/17/180195817.db2.gz CICUMPHFJDBARQ-LSDHHAIUSA-N 1 0 266.433 2.154 10 0 CEAERO CC[C@](C)([C@@H](N)Cc1nn(C)c2ccccc12)[NH+](C)C ZINC000091569743 180195838 /nfs/dbraw/zinc/19/58/38/180195838.db2.gz NVWXCNZDTGRXNU-JKSUJKDBSA-N 1 0 274.412 2.173 10 0 CEAERO CC[NH+](CC)[C@@](C)(CC)[C@H](O)Cc1ccnc(N)c1 ZINC000091572948 180196085 /nfs/dbraw/zinc/19/60/85/180196085.db2.gz UDXUWTCETQAENF-HIFRSBDPSA-N 1 0 265.401 2.078 10 0 CEAERO CCC[NH2+][C@H](c1cnn(C)c1)[C@@](C)(CC)N(C)C ZINC000091572021 180196574 /nfs/dbraw/zinc/19/65/74/180196574.db2.gz ANWLKOWJALBRBV-ZIAGYGMSSA-N 1 0 252.406 2.191 10 0 CEAERO CCc1cc(C[C@H](N)[C@](C)(CC)[NH+](CC)CC)n(C)n1 ZINC000091573874 180196631 /nfs/dbraw/zinc/19/66/31/180196631.db2.gz IKYQQAGCYKWXHS-HOTGVXAUSA-N 1 0 280.460 2.363 10 0 CEAERO CC[C@@](C)(C(=O)Cc1cccnc1N)[NH+]1CCCC1 ZINC000091602127 180203487 /nfs/dbraw/zinc/20/34/87/180203487.db2.gz UEGXTBPHXFNOPN-HNNXBMFYSA-N 1 0 261.369 2.040 10 0 CEAERO CC[C@@](C)([C@H](N)c1cc(C)cnc1N)[NH+]1CCCC1 ZINC000091604815 180203797 /nfs/dbraw/zinc/20/37/97/180203797.db2.gz LSZWFGRIHFACPZ-HIFRSBDPSA-N 1 0 262.401 2.237 10 0 CEAERO CCCn1ncnc1C[C@@H](N)[C@@](C)(CC)[NH+]1CCCCC1 ZINC000091609450 180205380 /nfs/dbraw/zinc/20/53/80/180205380.db2.gz RXVOPZPJOPFTKT-GDBMZVCRSA-N 1 0 293.459 2.213 10 0 CEAERO CC[C@@](C)([C@@H](O)Cc1cc(C)nn1C)[NH+]1CCCCC1 ZINC000091608571 180205448 /nfs/dbraw/zinc/20/54/48/180205448.db2.gz CHQHBCBNOKYRQH-HOTGVXAUSA-N 1 0 279.428 2.287 10 0 CEAERO CC[C@](C)([C@H](O)Cc1cccnc1N)[NH+]1CCCCC1 ZINC000091608726 180205689 /nfs/dbraw/zinc/20/56/89/180205689.db2.gz HCNYIUUYSZWMMM-GDBMZVCRSA-N 1 0 277.412 2.222 10 0 CEAERO CC[C@](C)([C@H](NC)c1ccnn1C)[NH+]1CCCCC1 ZINC000091609866 180206004 /nfs/dbraw/zinc/20/60/04/180206004.db2.gz GAYIBFIVBWQTLI-HUUCEWRRSA-N 1 0 264.417 2.335 10 0 CEAERO CCCn1ccnc1[C@@H]([NH2+]C)[C@](C)(CC)N1CCOCC1 ZINC000091612660 180206939 /nfs/dbraw/zinc/20/69/39/180206939.db2.gz MWPNYWNQCQKSRQ-ZBFHGGJFSA-N 1 0 294.443 2.055 10 0 CEAERO CC[C@](C)([C@@H]([NH3+])c1cccs1)N1CCOCC1 ZINC000091612184 180206968 /nfs/dbraw/zinc/20/69/68/180206968.db2.gz TUNOHQVMVMJZHB-QWHCGFSZSA-N 1 0 254.399 2.249 10 0 CEAERO CC[C@@](C)([C@@H]([NH3+])Cc1ccccc1OC)N1CCOCC1 ZINC000091612179 180207101 /nfs/dbraw/zinc/20/71/01/180207101.db2.gz FERMWEPTFJWIEG-IRXDYDNUSA-N 1 0 292.423 2.066 10 0 CEAERO CC[C@@](C)([C@H](Cc1csc(C)n1)[NH2+]C)N1CCOCC1 ZINC000091612527 180207202 /nfs/dbraw/zinc/20/72/02/180207202.db2.gz IMRNGSQYJWLJOT-GJZGRUSLSA-N 1 0 297.468 2.083 10 0 CEAERO CCN[C@H](c1nccn1C)C(CC)(CC)[NH+](C)C ZINC000091614730 180207781 /nfs/dbraw/zinc/20/77/81/180207781.db2.gz XUIQVJLMTAGHMQ-GFCCVEGCSA-N 1 0 252.406 2.191 10 0 CEAERO CCC(CC)([C@@H](O)c1cc(C)cnc1N)[NH+](C)C ZINC000091613714 180208168 /nfs/dbraw/zinc/20/81/68/180208168.db2.gz PPDVISVLPBUJDB-LBPRGKRZSA-N 1 0 251.374 2.126 10 0 CEAERO Cc1cc(F)cc(NC(=O)C2(C)CC[NH2+]CC2)c1 ZINC000091514013 180176848 /nfs/dbraw/zinc/17/68/48/180176848.db2.gz HMQDFYUJOUOWPD-UHFFFAOYSA-N 1 0 250.317 2.462 10 0 CEAERO Cc1cc(F)cc(NC(=O)C[C@@H]2CCC[NH2+]C2)c1 ZINC000091514007 180176862 /nfs/dbraw/zinc/17/68/62/180176862.db2.gz YMZWSPINZQEVJY-NSHDSACASA-N 1 0 250.317 2.462 10 0 CEAERO CC(C)Cn1ncnc1C[C@](C)(O)CC[NH2+]C(C)(C)C ZINC000091520590 180178089 /nfs/dbraw/zinc/17/80/89/180178089.db2.gz ZAGOFORLBGXCSN-OAHLLOKOSA-N 1 0 282.432 2.006 10 0 CEAERO CCn1nc(C)cc1C[C@](C)(O)CC[NH2+]CC(C)C ZINC000091520234 180178193 /nfs/dbraw/zinc/17/81/93/180178193.db2.gz PKTWPIUUEBUPOQ-OAHLLOKOSA-N 1 0 267.417 2.141 10 0 CEAERO CC[C@@H](C)n1ccc(C[C@@H]([NH2+]C)C(C)(C)N(C)C)n1 ZINC000091528613 180180828 /nfs/dbraw/zinc/18/08/28/180180828.db2.gz CIKQGZPYNGAORK-TZMCWYRMSA-N 1 0 266.433 2.325 10 0 CEAERO CC[C@H](C)n1ccc(C[C@H]([NH2+]C)C(C)(C)N(C)C)n1 ZINC000091528612 180180854 /nfs/dbraw/zinc/18/08/54/180180854.db2.gz CIKQGZPYNGAORK-JSGCOSHPSA-N 1 0 266.433 2.325 10 0 CEAERO COC(=O)c1ccc(Cl)cc1NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091541947 180183690 /nfs/dbraw/zinc/18/36/90/180183690.db2.gz QCXPBNBFRAVRIZ-WPRPVWTQSA-N 1 0 296.754 2.193 10 0 CEAERO CCC1CCC(CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000091546380 180186934 /nfs/dbraw/zinc/18/69/34/180186934.db2.gz YQXIBMNFYGVFSI-NWINJMCUSA-N 1 0 252.402 2.446 10 0 CEAERO CCN(C(=O)[C@H]1CC[C@@H]([NH3+])C1)c1cccc(F)c1 ZINC000091546026 180187083 /nfs/dbraw/zinc/18/70/83/180187083.db2.gz OTXCTQWJRSCOJT-CMPLNLGQSA-N 1 0 250.317 2.306 10 0 CEAERO CC(C)C(=O)Nc1cccc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000091548095 180187605 /nfs/dbraw/zinc/18/76/05/180187605.db2.gz JBHGTCZVPXRECI-NEPJUHHUSA-N 1 0 289.379 2.347 10 0 CEAERO Cc1nn(C)c(C[C@H](O)C2([NH+](C)C)CCCC2)c1Cl ZINC000091636909 180211064 /nfs/dbraw/zinc/21/10/64/180211064.db2.gz OOTNIEKLDHSXTR-LBPRGKRZSA-N 1 0 285.819 2.160 10 0 CEAERO CCn1nc(C)cc1C[C@H]([NH2+]C)C1(N(C)C)CCCC1 ZINC000091637727 180212042 /nfs/dbraw/zinc/21/20/42/180212042.db2.gz ROTLYLNHLIIKSF-HNNXBMFYSA-N 1 0 278.444 2.216 10 0 CEAERO CC[NH+](CC)C1([C@@H](O)C2CCOCC2)CCCC1 ZINC000091638709 180212322 /nfs/dbraw/zinc/21/23/22/180212322.db2.gz OKOMDESUIDCVCJ-AWEZNQCLSA-N 1 0 255.402 2.429 10 0 CEAERO CC[NH2+][C@@H](c1cccnc1N)C1(N(C)C)CCCC1 ZINC000091638215 180212653 /nfs/dbraw/zinc/21/26/53/180212653.db2.gz GLRHZIQBRGNXRD-ZDUSSCGKSA-N 1 0 262.401 2.189 10 0 CEAERO CC[NH+](CC)C1(C(=O)Cc2cnn(C)c2)CCCC1 ZINC000091638594 180212677 /nfs/dbraw/zinc/21/26/77/180212677.db2.gz MBOLRXKOTVFRJY-UHFFFAOYSA-N 1 0 263.385 2.186 10 0 CEAERO Nc1ncccc1[C@H](O)C1([NH+]2CCCC2)CCCC1 ZINC000091640279 180213373 /nfs/dbraw/zinc/21/33/73/180213373.db2.gz GRNFNWPQACUXDX-ZDUSSCGKSA-N 1 0 261.369 2.106 10 0 CEAERO Nc1ccncc1[C@H](O)C1([NH+]2CCCC2)CCCC1 ZINC000091640453 180213385 /nfs/dbraw/zinc/21/33/85/180213385.db2.gz SBRBXJNLDBJSEM-AWEZNQCLSA-N 1 0 261.369 2.106 10 0 CEAERO CC[NH2+][C@H](C1CC1)C1(N2CCOCC2)CCCC1 ZINC000091646296 180215205 /nfs/dbraw/zinc/21/52/05/180215205.db2.gz AVMIZQRELYJZHG-CQSZACIVSA-N 1 0 252.402 2.020 10 0 CEAERO CC1CCC(C(=O)Cc2ccnc(N)c2)([NH+](C)C)CC1 ZINC000091648194 180215747 /nfs/dbraw/zinc/21/57/47/180215747.db2.gz FWEOUJLMTGHUMP-UHFFFAOYSA-N 1 0 275.396 2.286 10 0 CEAERO C[NH2+][C@H](c1cnn(C)c1)C1(N(C)C)CCC(C)CC1 ZINC000091649193 180216074 /nfs/dbraw/zinc/21/60/74/180216074.db2.gz WAIIWLHNNNWYFB-HNFVBEJKSA-N 1 0 264.417 2.191 10 0 CEAERO CC[NH2+][C@H](Cc1cnn(C)c1)C1(N(C)C)CCC(C)CC1 ZINC000091649348 180216357 /nfs/dbraw/zinc/21/63/57/180216357.db2.gz RGKNPDCRCVZWMM-ARWYELJZSA-N 1 0 292.471 2.451 10 0 CEAERO CCn1nccc1[C@@H](N)C1([NH+](C)C)CCC(C)CC1 ZINC000091648728 180216475 /nfs/dbraw/zinc/21/64/75/180216475.db2.gz VVTSRKBNJYGRMS-HNFVBEJKSA-N 1 0 264.417 2.413 10 0 CEAERO C[NH+](C)C1([C@H](O)Cc2ccnc(N)c2)CCCCCC1 ZINC000091653811 180217207 /nfs/dbraw/zinc/21/72/07/180217207.db2.gz DCLIOKJJPWVBKO-CQSZACIVSA-N 1 0 277.412 2.222 10 0 CEAERO [NH3+][C@H](C1CC1)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000091690954 180227486 /nfs/dbraw/zinc/22/74/86/180227486.db2.gz ILBAKXFMZDVKEE-LSDHHAIUSA-N 1 0 274.364 2.382 10 0 CEAERO Cc1ccc(F)cc1[C@H](O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091715614 180232840 /nfs/dbraw/zinc/23/28/40/180232840.db2.gz ZTXCVMBMJCZXHF-SNPRPXQTSA-N 1 0 265.328 2.031 10 0 CEAERO CC[NH2+][C@H](Cc1ccccc1Cl)[C@@H]1CN(C)CCO1 ZINC000091718683 180233311 /nfs/dbraw/zinc/23/33/11/180233311.db2.gz MJUWEDAQBJSBFR-CABCVRRESA-N 1 0 282.815 2.191 10 0 CEAERO CC[NH2+][C@H](Cc1ccc2c(c1)CCC2)[C@H]1CN(C)CCO1 ZINC000091718241 180233484 /nfs/dbraw/zinc/23/34/84/180233484.db2.gz VQYWOMCSGICTGY-QZTJIDSGSA-N 1 0 288.435 2.027 10 0 CEAERO CC[NH2+][C@H](c1ccccc1OCC)[C@H]1CN(C)CCO1 ZINC000091718793 180233577 /nfs/dbraw/zinc/23/35/77/180233577.db2.gz ULLXLEIVKSPFTN-HZPDHXFCSA-N 1 0 278.396 2.067 10 0 CEAERO CC[NH2+][C@@H](c1ccc(OC(C)C)cc1)[C@@H]1CN(C)CCO1 ZINC000091718318 180233710 /nfs/dbraw/zinc/23/37/10/180233710.db2.gz XCIBQDMMNGMJPG-IRXDYDNUSA-N 1 0 292.423 2.455 10 0 CEAERO CCC[NH2+][C@H](c1ccc(C)s1)[C@H]1CN(C)CCO1 ZINC000091719545 180234229 /nfs/dbraw/zinc/23/42/29/180234229.db2.gz NOTWGSGRWBRFSV-OCCSQVGLSA-N 1 0 268.426 2.428 10 0 CEAERO CCC[NH2+][C@@H](Cc1cccc(F)c1F)CN(C)C ZINC000091719896 180234404 /nfs/dbraw/zinc/23/44/04/180234404.db2.gz JOQCNCZGWYYXJR-LBPRGKRZSA-N 1 0 256.340 2.437 10 0 CEAERO CCC[NH2+][C@H](CCc1ccc2c(c1)CCO2)CN(C)C ZINC000091719949 180235110 /nfs/dbraw/zinc/23/51/10/180235110.db2.gz FTYRSWCMYZSNEC-MRXNPFEDSA-N 1 0 276.424 2.484 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1ccccc1OC(F)F ZINC000624235367 350239169 /nfs/dbraw/zinc/23/91/69/350239169.db2.gz JEKUVBWIWVQAFQ-WCQGTBRESA-N 1 0 287.306 2.088 10 0 CEAERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1cc2ccccc2o1 ZINC000624235987 350239301 /nfs/dbraw/zinc/23/93/01/350239301.db2.gz ULNPZQUUFSVRNS-DRZSPHRISA-N 1 0 261.321 2.233 10 0 CEAERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1cccc(Cl)c1 ZINC000624235624 350239743 /nfs/dbraw/zinc/23/97/43/350239743.db2.gz NHEVPWXRSYXEHK-XDTLVQLUSA-N 1 0 255.745 2.140 10 0 CEAERO CC[NH2+][C@H](CCC(C)C)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721529 180238468 /nfs/dbraw/zinc/23/84/68/180238468.db2.gz JLHWDTKGBJUYOU-KFWWJZLASA-N 1 0 254.418 2.264 10 0 CEAERO C[C@@H]([NH3+])c1cccn1CC(=O)NC1CCCCCC1 ZINC000091800104 180259219 /nfs/dbraw/zinc/25/92/19/180259219.db2.gz SHJYIZZHTLAQQW-GFCCVEGCSA-N 1 0 263.385 2.347 10 0 CEAERO CC[NH2+][C@H](c1cc(F)cc(F)c1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721827 180240331 /nfs/dbraw/zinc/24/03/31/180240331.db2.gz SEKOYYFFPQGRLC-BZUAXINKSA-N 1 0 296.361 2.479 10 0 CEAERO CC[NH2+][C@H](c1cccc(F)c1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721819 180240467 /nfs/dbraw/zinc/24/04/67/180240467.db2.gz PSMAXVSIPCBOCD-BZUAXINKSA-N 1 0 278.371 2.340 10 0 CEAERO CCCn1ncnc1Cn1cccc1[C@@H](C)[NH2+]CC ZINC000091802021 180259288 /nfs/dbraw/zinc/25/92/88/180259288.db2.gz JLPNHCSWYYIAAI-GFCCVEGCSA-N 1 0 261.373 2.208 10 0 CEAERO C[N@H+](CC[C@H]1CCCO1)C1CCC2(CC1)OCCO2 ZINC000091853623 180273816 /nfs/dbraw/zinc/27/38/16/180273816.db2.gz PNHJHDRZJDGHKS-CQSZACIVSA-N 1 0 269.385 2.173 10 0 CEAERO C[N@H+](Cc1cccnc1)C1CCC2(CC1)OCCO2 ZINC000091853583 180273893 /nfs/dbraw/zinc/27/38/93/180273893.db2.gz PRQCDSVHUDTNKU-UHFFFAOYSA-N 1 0 262.353 2.199 10 0 CEAERO C[N@H+](Cc1ccccn1)C1CCC2(CC1)OCCO2 ZINC000091853584 180273900 /nfs/dbraw/zinc/27/39/00/180273900.db2.gz ACRNGRHUYVONFV-UHFFFAOYSA-N 1 0 262.353 2.199 10 0 CEAERO CCC[NH2+][C@@H](C)c1cccn1CC(=O)N[C@@H](C)CC ZINC000091802474 180260025 /nfs/dbraw/zinc/26/00/25/180260025.db2.gz UESRINOSWOIKJN-STQMWFEESA-N 1 0 265.401 2.463 10 0 CEAERO CCC[NH2+][C@H](C)c1cccn1CC(=O)NCC(F)(F)F ZINC000091802931 180260225 /nfs/dbraw/zinc/26/02/25/180260225.db2.gz YFAKLSFDMYKWDE-SNVBAGLBSA-N 1 0 291.317 2.227 10 0 CEAERO CCC[C@@H]([NH2+]CC)c1ccn(C[C@H](C)C(N)=O)c1 ZINC000091822667 180264111 /nfs/dbraw/zinc/26/41/11/180264111.db2.gz JSJIWUDFPFCNMO-WCQYABFASA-N 1 0 251.374 2.060 10 0 CEAERO CCn1ncnc1Cn1ccc([C@H]([NH2+]C)C(C)C)c1 ZINC000091827368 180264690 /nfs/dbraw/zinc/26/46/90/180264690.db2.gz JXEKZYVZXISBBU-CQSZACIVSA-N 1 0 261.373 2.064 10 0 CEAERO CCC[C@H](C)NC(=O)Cn1ccc([C@@H]([NH3+])C(C)C)c1 ZINC000091826323 180264804 /nfs/dbraw/zinc/26/48/04/180264804.db2.gz MKWCKYGKBHFJHM-WFASDCNBSA-N 1 0 265.401 2.449 10 0 CEAERO COc1cccc(Cn2ccc([C@H]([NH3+])C3CC3)c2)n1 ZINC000091836067 180267655 /nfs/dbraw/zinc/26/76/55/180267655.db2.gz HQRBCTRMPSIRCC-OAHLLOKOSA-N 1 0 257.337 2.350 10 0 CEAERO CC[NH2+][C@H](c1ccn(CCCS(=O)(=O)CC)c1)C1CC1 ZINC000091838801 180268326 /nfs/dbraw/zinc/26/83/26/180268326.db2.gz KVCUTIWDLUVKIJ-HNNXBMFYSA-N 1 0 298.452 2.374 10 0 CEAERO CCN(C(=O)c1ccsc1)C1CCC([NH3+])CC1 ZINC000091850206 180272121 /nfs/dbraw/zinc/27/21/21/180272121.db2.gz FHHBTHFBGNZDCS-UHFFFAOYSA-N 1 0 252.383 2.480 10 0 CEAERO CC(C)n1cncc1[C@@H](O)[C@]1(C[NH3+])CC[C@@H](C)C1 ZINC000091926488 180287623 /nfs/dbraw/zinc/28/76/23/180287623.db2.gz LBIOBSVUBVOWGJ-MRVWCRGKSA-N 1 0 251.374 2.263 10 0 CEAERO CCC1CCC(C[NH3+])(C2(O)CCC(=O)CC2)CC1 ZINC000091924606 180287764 /nfs/dbraw/zinc/28/77/64/180287764.db2.gz QPFXDPSVWHQDGN-UHFFFAOYSA-N 1 0 253.386 2.406 10 0 CEAERO CCCN(C(=O)N1CCCCCC1)[C@H]1CCC[NH2+]C1 ZINC000091971171 180295111 /nfs/dbraw/zinc/29/51/11/180295111.db2.gz PKHYKIXPPDHLEP-AWEZNQCLSA-N 1 0 267.417 2.446 10 0 CEAERO C[C@@H](NC(=O)N1CCCCCC1)[C@H]1CCCC[NH2+]1 ZINC000091971199 180294948 /nfs/dbraw/zinc/29/49/48/180294948.db2.gz XTVDLLAHHWVMNX-CHWSQXEVSA-N 1 0 253.390 2.103 10 0 CEAERO C[C@H]([NH2+]CC1(O)CCOCC1)c1ccc(F)c(F)c1 ZINC000091957539 180292102 /nfs/dbraw/zinc/29/21/02/180292102.db2.gz OMOOASCWPVFPEL-JTQLQIEISA-N 1 0 271.307 2.157 10 0 CEAERO CCC[NH2+]C1CCC(N(C)c2ccnc(N(C)C)n2)CC1 ZINC000091870756 180277197 /nfs/dbraw/zinc/27/71/97/180277197.db2.gz LQBNXOUBVBBBNJ-UHFFFAOYSA-N 1 0 291.443 2.290 10 0 CEAERO CC[NH2+]C1CCC(N(C)c2cc(C)nc(C)n2)CC1 ZINC000091870806 180277353 /nfs/dbraw/zinc/27/73/53/180277353.db2.gz IIIKPOQICKZROW-UHFFFAOYSA-N 1 0 262.401 2.450 10 0 CEAERO C[NH2+]C1CCC(N(C)C(=O)Cc2cccs2)CC1 ZINC000091872189 180278003 /nfs/dbraw/zinc/27/80/03/180278003.db2.gz TVSVVDASOBETHE-UHFFFAOYSA-N 1 0 266.410 2.280 10 0 CEAERO C[NH2+]C1CCC(NC(=O)c2cc(Cl)ccc2O)CC1 ZINC000091871718 180278030 /nfs/dbraw/zinc/27/80/30/180278030.db2.gz HSMCZQTWFZLPJK-UHFFFAOYSA-N 1 0 282.771 2.306 10 0 CEAERO [NH3+]C[C@@]1(C2(O)CCCCC2)CCOc2ccccc21 ZINC000091904600 180283412 /nfs/dbraw/zinc/28/34/12/180283412.db2.gz UKLXTHIGHFQMSC-HNNXBMFYSA-N 1 0 261.365 2.361 10 0 CEAERO C[C@](O)(c1ccc2c(c1)CCCC2)[C@@]1(C[NH3+])CCOC1 ZINC000091907025 180283952 /nfs/dbraw/zinc/28/39/52/180283952.db2.gz UIECQUPEGOZFQR-DLBZAZTESA-N 1 0 275.392 2.138 10 0 CEAERO C[C@@H](NC(=O)N1CCCCC1)c1ccc(C[NH3+])cc1 ZINC000091969052 180294755 /nfs/dbraw/zinc/29/47/55/180294755.db2.gz NEVFGUNEUSJENL-GFCCVEGCSA-N 1 0 261.369 2.402 10 0 CEAERO [NH3+]C[C@]1([C@@H](O)c2ccncc2)CCCc2ccccc21 ZINC000091909584 180284604 /nfs/dbraw/zinc/28/46/04/180284604.db2.gz KXMGMFFPOUTVON-DLBZAZTESA-N 1 0 268.360 2.348 10 0 CEAERO [NH3+]C[C@]1([C@H](O)c2ccco2)CCc2ccccc2C1 ZINC000091909540 180284777 /nfs/dbraw/zinc/28/47/77/180284777.db2.gz YRNOHNOVEQWTMC-CVEARBPZSA-N 1 0 257.333 2.447 10 0 CEAERO CC[C@](C)(C[NH3+])[C@@H](O)c1cc(OC)c(OC)c(OC)c1 ZINC000091910208 180285319 /nfs/dbraw/zinc/28/53/19/180285319.db2.gz KNYNIBCTGVDAPZ-LSDHHAIUSA-N 1 0 283.368 2.121 10 0 CEAERO Brc1cn2c(C[NH2+]CCC3CC3)cnc2cn1 ZINC000092050283 180311856 /nfs/dbraw/zinc/31/18/56/180311856.db2.gz MWPRMBUEWPMSJD-UHFFFAOYSA-N 1 0 295.184 2.382 10 0 CEAERO CCN1CCO[C@@H](COc2c(C)cc(C[NH2+]C)cc2C)C1 ZINC000092051019 180312289 /nfs/dbraw/zinc/31/22/89/180312289.db2.gz ZBYMPDMAHHVHDB-MRXNPFEDSA-N 1 0 292.423 2.122 10 0 CEAERO CC[C@H]([NH3+])Cc1cccc(OC[C@H]2CN(CC)CCO2)c1 ZINC000092060667 180315086 /nfs/dbraw/zinc/31/50/86/180315086.db2.gz YOOJVCRPVNRIDS-DOTOQJQBSA-N 1 0 292.423 2.066 10 0 CEAERO [NH3+]CC1(NC(=O)N2CCCCCC2)CCCCC1 ZINC000091971091 180295156 /nfs/dbraw/zinc/29/51/56/180295156.db2.gz GFCGBIKGWCKLSH-UHFFFAOYSA-N 1 0 253.390 2.234 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@@H]1CNC(=O)N1CCCCCC1 ZINC000091971970 180295758 /nfs/dbraw/zinc/29/57/58/180295758.db2.gz RHRBKSFXYZNLLG-ZIAGYGMSSA-N 1 0 267.417 2.337 10 0 CEAERO CC1CCN(C(=O)N(C)c2cccc(C[NH3+])c2)CC1 ZINC000091972751 180296229 /nfs/dbraw/zinc/29/62/29/180296229.db2.gz RXTWBGSJDSDQTB-UHFFFAOYSA-N 1 0 261.369 2.433 10 0 CEAERO C[C@H]1CCCN(C(=O)N(CCC[NH3+])C2CCCC2)C1 ZINC000091972584 180296262 /nfs/dbraw/zinc/29/62/62/180296262.db2.gz JYSLRDMNXLNZOZ-ZDUSSCGKSA-N 1 0 267.417 2.432 10 0 CEAERO CC1CCN(C(=O)NC2(C(N)=[NH2+])CCCCCC2)CC1 ZINC000091993356 180300564 /nfs/dbraw/zinc/30/05/64/180300564.db2.gz ZBKXSAFYNKHCLR-UHFFFAOYSA-N 1 0 280.416 2.457 10 0 CEAERO C[C@@H]1CCCN(C(=O)Nc2ccccc2C(N)=[NH2+])C1 ZINC000091993286 180300638 /nfs/dbraw/zinc/30/06/38/180300638.db2.gz BRMMOEHVHCSMRM-SNVBAGLBSA-N 1 0 260.341 2.234 10 0 CEAERO C[NH2+]Cc1nc(C)ccc1O[C@H]1CCC[C@@H](OC)C1 ZINC000091994354 180301168 /nfs/dbraw/zinc/30/11/68/180301168.db2.gz RSJUEKHUHGDOPJ-OLZOCXBDSA-N 1 0 264.369 2.446 10 0 CEAERO C[NH2+]Cc1nc(C)ccc1OCc1csc(C)n1 ZINC000091994580 180301404 /nfs/dbraw/zinc/30/14/04/180301404.db2.gz FPCZYVGIBOJAMF-UHFFFAOYSA-N 1 0 263.366 2.453 10 0 CEAERO Cc1ccc(O[C@H]2CCOC2)c(C[NH2+]C(C)C)n1 ZINC000091995393 180301819 /nfs/dbraw/zinc/30/18/19/180301819.db2.gz BGMAIHUJIQPHEQ-LBPRGKRZSA-N 1 0 250.342 2.056 10 0 CEAERO Cc1ccc(O[C@@H]2CCOC2)c(C[NH2+]C(C)(C)C)n1 ZINC000091996012 180302120 /nfs/dbraw/zinc/30/21/20/180302120.db2.gz YJJQHHVBZOHXFS-GFCCVEGCSA-N 1 0 264.369 2.446 10 0 CEAERO CC[C@H]([NH3+])Cc1nc(C)ccc1OCCn1ccnc1C ZINC000092000378 180303722 /nfs/dbraw/zinc/30/37/22/180303722.db2.gz XNHSDKHEQGQLGO-AWEZNQCLSA-N 1 0 288.395 2.254 10 0 CEAERO Cc1nn(C)c(COc2ccc(C)nc2CC[NH3+])c1Cl ZINC000091999730 180303899 /nfs/dbraw/zinc/30/38/99/180303899.db2.gz MWLNWFPUJLJYHQ-UHFFFAOYSA-N 1 0 294.786 2.166 10 0 CEAERO CCc1nc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)sc1C=O ZINC000092004840 180305706 /nfs/dbraw/zinc/30/57/06/180305706.db2.gz IKGDJNQDFJYHMI-MNOVXSKESA-N 1 0 279.409 2.191 10 0 CEAERO COc1ccc([C@H](O)C[NH2+]CC2(O)CCCCCC2)cc1 ZINC000092021156 180307473 /nfs/dbraw/zinc/30/74/73/180307473.db2.gz OOYUWJGAHLWBJJ-MRXNPFEDSA-N 1 0 293.407 2.404 10 0 CEAERO Cc1nc(Cl)c(C)c(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000092023772 180308886 /nfs/dbraw/zinc/30/88/86/180308886.db2.gz PUKPCVZNQJCOTI-NEPJUHHUSA-N 1 0 280.803 2.420 10 0 CEAERO C[C@H]1CN(C(=O)CCC2CCC([NH3+])CC2)C[C@@H]1C ZINC000092112980 180327286 /nfs/dbraw/zinc/32/72/86/180327286.db2.gz MRGBWZIWPBCXJG-FEPKRQSRSA-N 1 0 252.402 2.399 10 0 CEAERO C[NH2+]C[C@@H](C)C(=O)Nc1cc(OC)c(OC)cc1Cl ZINC000092133400 180331084 /nfs/dbraw/zinc/33/10/84/180331084.db2.gz BMWZDWQFWGJTNA-MRVPVSSYSA-N 1 0 286.759 2.151 10 0 CEAERO C[NH2+]C[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000092133747 180331606 /nfs/dbraw/zinc/33/16/06/180331606.db2.gz NHUPEXNFOFXMCG-LPEHRKFASA-N 1 0 266.307 2.079 10 0 CEAERO CCC[NH2+][C@H](Cc1cc(CC)nn1C)C(C)(C)OC ZINC000092140297 180333491 /nfs/dbraw/zinc/33/34/91/180333491.db2.gz ZGSGRVVXQZFNOA-CQSZACIVSA-N 1 0 267.417 2.318 10 0 CEAERO COC(C)(C)c1noc(CC[C@@H]2CCCC[NH2+]2)n1 ZINC000092137730 180333663 /nfs/dbraw/zinc/33/36/63/180333663.db2.gz BODXGIWZKXUOIS-JTQLQIEISA-N 1 0 253.346 2.026 10 0 CEAERO COC(C)(C)c1noc(C[C@@H]([NH3+])c2ccccc2)n1 ZINC000092137920 180333897 /nfs/dbraw/zinc/33/38/97/180333897.db2.gz KZNSOGFRBHIYAU-LLVKDONJSA-N 1 0 261.325 2.194 10 0 CEAERO CC[NH2+][C@@H](CC)[C@H](C)c1nc(C(C)(C)OC)no1 ZINC000092141640 180334170 /nfs/dbraw/zinc/33/41/70/180334170.db2.gz VGLFRRMPOPJGBD-UWVGGRQHSA-N 1 0 255.362 2.443 10 0 CEAERO C[C@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cc2N)C[C@H]1C ZINC000092080539 180318938 /nfs/dbraw/zinc/31/89/38/180318938.db2.gz JXDWRAOIMOGITH-AOOOYVTPSA-N 1 0 281.787 2.449 10 0 CEAERO C[C@H]1CN([C@@H](C[NH3+])c2ccc3c(c2)OCO3)C[C@H]1C ZINC000092082781 180319397 /nfs/dbraw/zinc/31/93/97/180319397.db2.gz YFZMBLBIHFOBHC-LOWVWBTDSA-N 1 0 262.353 2.003 10 0 CEAERO Cc1cccc(N)c1NC(=O)C[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000092081511 180319678 /nfs/dbraw/zinc/31/96/78/180319678.db2.gz FIZJDGYVLJQXFV-TXEJJXNPSA-N 1 0 261.369 2.104 10 0 CEAERO COc1ccc(C[N@@H+]2C[C@H](C)[C@H](C)C2)cc1C(N)=S ZINC000092085520 180320239 /nfs/dbraw/zinc/32/02/39/180320239.db2.gz PBDLQWYZANHHKY-PHIMTYICSA-N 1 0 278.421 2.417 10 0 CEAERO CC[NH2+]Cc1cnn(C[C@@H]2COc3ccccc32)c1 ZINC000092306696 180360052 /nfs/dbraw/zinc/36/00/52/180360052.db2.gz DGOQFFHKXLBECP-CYBMUJFWSA-N 1 0 257.337 2.169 10 0 CEAERO Cc1ccc(Cl)cc1NC(=O)[C@H]1C=C[C@H]([NH3+])C1 ZINC000092201708 180342685 /nfs/dbraw/zinc/34/26/85/180342685.db2.gz LTFKENRNZPMMRK-ONGXEEELSA-N 1 0 250.729 2.490 10 0 CEAERO CCOc1ccc(OCC)c(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)c1 ZINC000092201262 180342691 /nfs/dbraw/zinc/34/26/91/180342691.db2.gz OPHDJNPVYDOAPE-NWDGAFQWSA-N 1 0 290.363 2.326 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000092201366 180342801 /nfs/dbraw/zinc/34/28/01/180342801.db2.gz XUXBMZNCQKQKKZ-DTWKUNHWSA-N 1 0 286.253 2.427 10 0 CEAERO [NH3+][C@H]1C=C[C@H](C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000092201796 180342848 /nfs/dbraw/zinc/34/28/48/180342848.db2.gz HAGLICGKRMVHBE-YUMQZZPRSA-N 1 0 254.692 2.321 10 0 CEAERO [NH3+][C@H]1C=C[C@@H](C(=O)Nc2cccc(Cl)c2F)C1 ZINC000092201825 180342910 /nfs/dbraw/zinc/34/29/10/180342910.db2.gz GOESIJTUKKRLRV-SFYZADRCSA-N 1 0 254.692 2.321 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000092203656 180343264 /nfs/dbraw/zinc/34/32/64/180343264.db2.gz DTVMYPWRBVATCJ-LNFKQOIKSA-N 1 0 276.302 2.127 10 0 CEAERO CC(=O)Nc1ccc(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)cc1Cl ZINC000092202891 180343370 /nfs/dbraw/zinc/34/33/70/180343370.db2.gz LWZGHKZWDPQQPC-VHSXEESVSA-N 1 0 293.754 2.140 10 0 CEAERO CC(C)[C@H](NC(=O)[C@H]1C=C[C@@H]([NH3+])C1)c1ccccc1 ZINC000092202759 180343468 /nfs/dbraw/zinc/34/34/68/180343468.db2.gz LYDLFXQTGBBHFL-ZNMIVQPWSA-N 1 0 258.365 2.403 10 0 CEAERO [NH3+][C@@H]1C=C[C@H](C(=O)N2CCC[C@@H]2Cc2ccccc2)C1 ZINC000092204742 180343828 /nfs/dbraw/zinc/34/38/28/180343828.db2.gz DSGFWJORUWDICI-ARFHVFGLSA-N 1 0 270.376 2.124 10 0 CEAERO Cn1cccc1[C@@H]1CCCCCN1C(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092204621 180343891 /nfs/dbraw/zinc/34/38/91/180343891.db2.gz ZHSGXGYAAKCCRK-LZWOXQAQSA-N 1 0 287.407 2.372 10 0 CEAERO CCCOC(=O)c1ccc(NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)cc1 ZINC000092206632 180344125 /nfs/dbraw/zinc/34/41/25/180344125.db2.gz TYEKUXWJAQIWBH-CHWSQXEVSA-N 1 0 288.347 2.095 10 0 CEAERO CC1CCC(CCNC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)CC1 ZINC000092207850 180344876 /nfs/dbraw/zinc/34/48/76/180344876.db2.gz LGGJNTWDQRQNGC-NWINJMCUSA-N 1 0 250.386 2.222 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1Cc2ccccc2S1 ZINC000092231827 180348212 /nfs/dbraw/zinc/34/82/12/180348212.db2.gz HJJONRMPSXIOMX-FLTXBFBQSA-N 1 0 288.416 2.184 10 0 CEAERO CSc1ccc(C(=O)N[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000092231999 180348414 /nfs/dbraw/zinc/34/84/14/180348414.db2.gz NVGPOEYNEDYKKK-RYUDHWBXSA-N 1 0 250.367 2.018 10 0 CEAERO COCC[NH2+]Cc1cccn1C[C@H]1COc2ccccc21 ZINC000092304845 180360400 /nfs/dbraw/zinc/36/04/00/180360400.db2.gz JNGBOYWDISAUOF-AWEZNQCLSA-N 1 0 286.375 2.400 10 0 CEAERO Cn1nccc1C[NH2+]C[C@@H]1Cc2ccccc2S1 ZINC000092244277 180352397 /nfs/dbraw/zinc/35/23/97/180352397.db2.gz ADJJEXNMYAXWRE-ZDUSSCGKSA-N 1 0 259.378 2.227 10 0 CEAERO OCC1CC[NH+](C[C@H]2Cc3ccccc3S2)CC1 ZINC000092270243 180355658 /nfs/dbraw/zinc/35/56/58/180355658.db2.gz NSUPSXUKMCIECH-CQSZACIVSA-N 1 0 263.406 2.408 10 0 CEAERO CCC[N@H+](CCO)C[C@@H]1Cc2ccccc2S1 ZINC000092270251 180356066 /nfs/dbraw/zinc/35/60/66/180356066.db2.gz WKLCSWNUDQMEDZ-ZDUSSCGKSA-N 1 0 251.395 2.408 10 0 CEAERO c1cnn(CC[NH2+]C[C@@H]2CSc3ccccc32)c1 ZINC000092275062 180356489 /nfs/dbraw/zinc/35/64/89/180356489.db2.gz DMXWGJGGBAWVDP-GFCCVEGCSA-N 1 0 259.378 2.362 10 0 CEAERO C[NH2+]Cc1ccnn1C[C@@H]1Cc2ccccc2S1 ZINC000092271914 180356708 /nfs/dbraw/zinc/35/67/08/180356708.db2.gz QBCJTJITSXYQPZ-ZDUSSCGKSA-N 1 0 259.378 2.320 10 0 CEAERO Cc1cnc(C[NH2+]C[C@@H]2COc3ccccc32)cn1 ZINC000092300812 180358396 /nfs/dbraw/zinc/35/83/96/180358396.db2.gz XGYFXXLGWNGJHI-GFCCVEGCSA-N 1 0 255.321 2.051 10 0 CEAERO OC[C@@H]([NH2+]C[C@H]1COc2ccccc21)c1ccccc1 ZINC000092300915 180358946 /nfs/dbraw/zinc/35/89/46/180358946.db2.gz RAZYEQAKCCRDDC-GOEBONIOSA-N 1 0 269.344 2.486 10 0 CEAERO Fc1cccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1 ZINC000105883327 186083251 /nfs/dbraw/zinc/08/32/51/186083251.db2.gz ARUJPCJFXNVJHH-AWEZNQCLSA-N 1 0 274.343 2.329 10 0 CEAERO [NH3+][C@@H]1C=C[C@@H](c2nc([C@@H]3Cc4ccccc43)no2)C1 ZINC000092181963 180338964 /nfs/dbraw/zinc/33/89/64/180338964.db2.gz UUHXHCKKRKTTEQ-NQBHXWOUSA-N 1 0 253.305 2.128 10 0 CEAERO CCOCC[N@@H+]1CCN(Cc2nc(C)c(C)o2)C[C@@H]1CC ZINC000105838523 186077737 /nfs/dbraw/zinc/07/77/37/186077737.db2.gz HGQYLEVBJBSZKJ-HNNXBMFYSA-N 1 0 295.427 2.224 10 0 CEAERO Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC000105850364 186078998 /nfs/dbraw/zinc/07/89/98/186078998.db2.gz KXUOCSMUKKNGAF-AWEZNQCLSA-N 1 0 292.427 2.041 10 0 CEAERO Cc1cnn(CC[NH2+]Cc2cc(F)c(F)c(F)c2)c1 ZINC000105908399 186086894 /nfs/dbraw/zinc/08/68/94/186086894.db2.gz VDPQYRVPUDVYSS-UHFFFAOYSA-N 1 0 269.270 2.399 10 0 CEAERO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CCc3ncnn3C2)o1 ZINC000105906408 186087846 /nfs/dbraw/zinc/08/78/46/186087846.db2.gz UHSOPKMTLJJKOL-WZRBSPASSA-N 1 0 272.352 2.099 10 0 CEAERO Cc1ncc(CN2CC[NH+](CCCOC(C)C)CC2)s1 ZINC000105911051 186089520 /nfs/dbraw/zinc/08/95/20/186089520.db2.gz OGWKIZLBTWBZHY-UHFFFAOYSA-N 1 0 297.468 2.384 10 0 CEAERO CCc1nc([C@@H]2CCOC2)nc(CC)c1CC[NH2+]C1CC1 ZINC000092318898 180361591 /nfs/dbraw/zinc/36/15/91/180361591.db2.gz IRQBRQSFMARQDT-GFCCVEGCSA-N 1 0 289.423 2.400 10 0 CEAERO CC[NH2+]CCc1c(CC)nc(-c2cnccn2)nc1CC ZINC000092318646 180361971 /nfs/dbraw/zinc/36/19/71/180361971.db2.gz YBZDPUHPQFZWDN-UHFFFAOYSA-N 1 0 285.395 2.210 10 0 CEAERO CCc1nn(-c2ncccn2)c(CC)c1CC[NH2+]C1CC1 ZINC000092321505 180362204 /nfs/dbraw/zinc/36/22/04/180362204.db2.gz GXKKDAPKNBJWQE-UHFFFAOYSA-N 1 0 285.395 2.082 10 0 CEAERO Cc1nn(-c2nc3ccccc3[nH]2)c(C)c1[C@@H](C)C[NH3+] ZINC000092323609 180362300 /nfs/dbraw/zinc/36/23/00/180362300.db2.gz ACVUWBREZYYYOK-VIFPVBQESA-N 1 0 269.352 2.428 10 0 CEAERO CC[NH2+]CCCc1c(C)nn(-c2cc(C)ncn2)c1C ZINC000092322801 180362463 /nfs/dbraw/zinc/36/24/63/180362463.db2.gz LSCJUOVTYYIRPN-UHFFFAOYSA-N 1 0 273.384 2.130 10 0 CEAERO CN(C)[C@@H](C[NH2+]C[C@H]1CCCO1)c1cccs1 ZINC000105946361 186093099 /nfs/dbraw/zinc/09/30/99/186093099.db2.gz DQIONJGHCDOQFV-NEPJUHHUSA-N 1 0 254.399 2.119 10 0 CEAERO Cc1nn(C)c(C)c1CN[C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000092325813 180363279 /nfs/dbraw/zinc/36/32/79/180363279.db2.gz VAYMAUSNANZSLS-OAHLLOKOSA-N 1 0 278.444 2.389 10 0 CEAERO CCC[C@]1(C(=O)NCc2c(C)noc2C)CCC[NH2+]C1 ZINC000092330654 180363893 /nfs/dbraw/zinc/36/38/93/180363893.db2.gz NXRVGFMGJGCBMI-HNNXBMFYSA-N 1 0 279.384 2.078 10 0 CEAERO COc1ccc([C@H](C[NH3+])NCc2ccccc2)cc1 ZINC000106024119 186098602 /nfs/dbraw/zinc/09/86/02/186098602.db2.gz AHNLTJWNOSZJQD-INIZCTEOSA-N 1 0 256.349 2.485 10 0 CEAERO CCOC(=O)[C@H](C)C[NH2+][C@@H](C)c1c(C)noc1C ZINC000092332356 180364362 /nfs/dbraw/zinc/36/43/62/180364362.db2.gz YMIXREMMBCTCFL-BDAKNGLRSA-N 1 0 254.330 2.141 10 0 CEAERO Cc1nn(C)c(C)c1C[NH2+]C[C@H]1Cc2cc(F)ccc2O1 ZINC000092330991 180364493 /nfs/dbraw/zinc/36/44/93/180364493.db2.gz REERDTYQIFCXPK-CQSZACIVSA-N 1 0 289.354 2.269 10 0 CEAERO CC(C)[C@@H](C)NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106428768 186116812 /nfs/dbraw/zinc/11/68/12/186116812.db2.gz LCPUVGZKRYMKMR-HIFRSBDPSA-N 1 0 262.397 2.320 10 0 CEAERO C[C@H](C[NH3+])[C@H](O)c1cc(Cl)c2c(c1)OCCCO2 ZINC000106205505 186104353 /nfs/dbraw/zinc/10/43/53/186104353.db2.gz XNXZYXNTJRMQIZ-PELKAZGASA-N 1 0 271.744 2.130 10 0 CEAERO CCc1ccc(N)cc1S(=O)(=O)Nc1cc[nH+]c(C)c1 ZINC000092348664 180367196 /nfs/dbraw/zinc/36/71/96/180367196.db2.gz MFRMCVNVUAVUCY-UHFFFAOYSA-N 1 0 291.376 2.335 10 0 CEAERO Cc1cc(CSc2nnc(C[NH3+])n2C)c2ccccc2n1 ZINC000092348245 180367412 /nfs/dbraw/zinc/36/74/12/180367412.db2.gz RDYMKKVZCVKPHS-UHFFFAOYSA-N 1 0 299.403 2.423 10 0 CEAERO [NH3+]C[C@@]1(OCc2ccnc3ccccc23)CCCOC1 ZINC000092347222 180367705 /nfs/dbraw/zinc/36/77/05/180367705.db2.gz PKBUBIXYQGZXPM-INIZCTEOSA-N 1 0 272.348 2.259 10 0 CEAERO Cc1cc(NS(=O)(=O)c2ccc3c(c2)NCC3)cc[nH+]1 ZINC000092365050 180369006 /nfs/dbraw/zinc/36/90/06/180369006.db2.gz NGXWIQBPROVYDJ-UHFFFAOYSA-N 1 0 289.360 2.159 10 0 CEAERO CCCNc1cccc(CN2CCC[C@H]2C[NH+](C)C)n1 ZINC000092370288 180369922 /nfs/dbraw/zinc/36/99/22/180369922.db2.gz UEFYOJPRZYPKIB-HNNXBMFYSA-N 1 0 276.428 2.430 10 0 CEAERO C[C@H](NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)c1ccccn1 ZINC000106426265 186116325 /nfs/dbraw/zinc/11/63/25/186116325.db2.gz FIVFNILWBABZDY-WMLDXEAASA-N 1 0 297.402 2.432 10 0 CEAERO CC(C)(C)OCC[NH+]1CCC(Cn2cccn2)CC1 ZINC000105887248 186084488 /nfs/dbraw/zinc/08/44/88/186084488.db2.gz NCTBZSIPJGFDBG-UHFFFAOYSA-N 1 0 265.401 2.410 10 0 CEAERO COCCC[N@H+](C)[C@H]1CCc2ccc(OC)cc2[C@@H]1O ZINC000092387935 180374455 /nfs/dbraw/zinc/37/44/55/180374455.db2.gz UMWWJKCUTVWDJT-HOTGVXAUSA-N 1 0 279.380 2.012 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@H](Sc1n[nH]c(C)n1)CC2 ZINC000092390052 180375132 /nfs/dbraw/zinc/37/51/32/180375132.db2.gz RDBXKQNYARWJLF-OLZOCXBDSA-N 1 0 290.392 2.229 10 0 CEAERO C[NH2+][C@@H]1c2cc(OC)ccc2CC[C@H]1SCC(=O)OC ZINC000092389429 180375437 /nfs/dbraw/zinc/37/54/37/180375437.db2.gz QAWQUAOOFPGTJE-UKRRQHHQSA-N 1 0 295.404 2.177 10 0 CEAERO CN(Cc1ccncc1)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106428673 186117269 /nfs/dbraw/zinc/11/72/69/186117269.db2.gz BMGHQCNKLVNCGH-QGZVFWFLSA-N 1 0 297.402 2.213 10 0 CEAERO CC(C)[C@@H]1CO[C@H](c2ccc3c(c2)OCCO3)C[NH2+]1 ZINC000092403375 180378212 /nfs/dbraw/zinc/37/82/12/180378212.db2.gz VSERRWYEDJBIOB-WFASDCNBSA-N 1 0 263.337 2.143 10 0 CEAERO CC[C@H](C)NC(=O)CCNC1=[NH+][C@@H](C(C)C)CS1 ZINC000092402523 180378382 /nfs/dbraw/zinc/37/83/82/180378382.db2.gz FECPZVYFKDWHTD-WDEREUQCSA-N 1 0 271.430 2.008 10 0 CEAERO CNc1ccnc(C[N@H+](CCO)C2CCCCC2)c1 ZINC000092418629 180380937 /nfs/dbraw/zinc/38/09/37/180380937.db2.gz KXRVIBJYGWGNAK-UHFFFAOYSA-N 1 0 263.385 2.250 10 0 CEAERO CCCNc1cc[nH+]c(CN2CCCC[C@@H]2C(=O)NC)c1 ZINC000092418601 180381103 /nfs/dbraw/zinc/38/11/03/180381103.db2.gz BRVGNFCOGRNCQR-OAHLLOKOSA-N 1 0 290.411 2.004 10 0 CEAERO CCCNc1cc[nH+]c(CN2C(=O)CCCCC2=O)c1 ZINC000092419669 180381953 /nfs/dbraw/zinc/38/19/53/180381953.db2.gz BMRMYPHDHWYNLB-UHFFFAOYSA-N 1 0 275.352 2.333 10 0 CEAERO CCCNc1cc[nH+]c(CN2C(=O)N[C@](C)(CC)C2=O)c1 ZINC000092419607 180382095 /nfs/dbraw/zinc/38/20/95/180382095.db2.gz WLCOFBQNDZTSHJ-OAHLLOKOSA-N 1 0 290.367 2.124 10 0 CEAERO CCCNc1cc[nH+]c(CN2C(=O)CSC2=O)c1 ZINC000092419506 180382604 /nfs/dbraw/zinc/38/26/04/180382604.db2.gz DPSOBCWXRLCNSA-UHFFFAOYSA-N 1 0 265.338 2.099 10 0 CEAERO Cc1cccc(COc2ccc3c(c2)OC[C@H]3[NH3+])n1 ZINC000092427680 180383587 /nfs/dbraw/zinc/38/35/87/180383587.db2.gz XIYPZRLCZQYQRE-CQSZACIVSA-N 1 0 256.305 2.361 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@@H](n1ccc(C)n1)CC2 ZINC000092386195 180374151 /nfs/dbraw/zinc/37/41/51/180374151.db2.gz TZPLNODCHMZFLF-GJZGRUSLSA-N 1 0 257.337 2.387 10 0 CEAERO CC(C)Oc1ccc(NC(=O)CCC[NH3+])cc1F ZINC000107295967 186167988 /nfs/dbraw/zinc/16/79/88/186167988.db2.gz WTCQFXNTBYDAJO-UHFFFAOYSA-N 1 0 254.305 2.290 10 0 CEAERO Cc1cccc(COc2cc3c(cc2CC[NH3+])OCO3)n1 ZINC000092431995 180384417 /nfs/dbraw/zinc/38/44/17/180384417.db2.gz AXAJBXATYZZOKP-UHFFFAOYSA-N 1 0 286.331 2.199 10 0 CEAERO CCN(Cc1cccc(C)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000092431251 180384554 /nfs/dbraw/zinc/38/45/54/180384554.db2.gz UITZHKLGYNSBLY-MZBDJJRSSA-N 1 0 259.397 2.495 10 0 CEAERO FC(F)(F)CNCC[NH2+]CC(C1CC1)C1CC1 ZINC000092435285 180385453 /nfs/dbraw/zinc/38/54/53/180385453.db2.gz LVSQSMNEAIROGK-UHFFFAOYSA-N 1 0 250.308 2.164 10 0 CEAERO C[C@@H](CCc1ccc(O)cc1)NC(=O)C[NH2+]C(C)(C)C ZINC000092460717 180389731 /nfs/dbraw/zinc/38/97/31/180389731.db2.gz FKGMIALALHJKED-LBPRGKRZSA-N 1 0 278.396 2.218 10 0 CEAERO c1ccc2sc(CNC[C@H]3CCC[NH2+]C3)nc2c1 ZINC000107795658 186191318 /nfs/dbraw/zinc/19/13/18/186191318.db2.gz RTRZYDCDKRHUCJ-NSHDSACASA-N 1 0 261.394 2.386 10 0 CEAERO COc1ccc(OC)c(C[N@H+]2[C@@H]3CC[C@H]2CC(O)C3)c1 ZINC000107927139 186198059 /nfs/dbraw/zinc/19/80/59/186198059.db2.gz QNYWWJAEPGHOPF-PBWFPOADSA-N 1 0 277.364 2.192 10 0 CEAERO Cc1ccnc(NC2CC[NH2+]CC2)c1Br ZINC000235930378 539801313 /nfs/dbraw/zinc/80/13/13/539801313.db2.gz ONYYSVMNBYFSJH-UHFFFAOYSA-N 1 0 270.174 2.316 10 0 CEAERO CNc1cc(N2CCC[C@H]2C[NH2+]Cc2ccccc2)ncn1 ZINC000109070093 186242247 /nfs/dbraw/zinc/24/22/47/186242247.db2.gz XKPHJGKSRLYKGI-HNNXBMFYSA-N 1 0 297.406 2.277 10 0 CEAERO Cc1ccc(-c2nc(C(C)(C)N3CC[NH2+]CC3)no2)cc1 ZINC000109475332 186255429 /nfs/dbraw/zinc/25/54/29/186255429.db2.gz CDKQSAJPKGSMLL-UHFFFAOYSA-N 1 0 286.379 2.185 10 0 CEAERO C[NH2+][C@@H](C)[C@H](c1nc(-c2ccncc2)no1)C(C)C ZINC000109498545 186256876 /nfs/dbraw/zinc/25/68/76/186256876.db2.gz SRPCJHKMIPZTMF-CMPLNLGQSA-N 1 0 260.341 2.479 10 0 CEAERO CCc1ccc(-c2noc(C[C@@H](COC)[NH2+]C)n2)cc1 ZINC000109505955 186257343 /nfs/dbraw/zinc/25/73/43/186257343.db2.gz JXRJGRUMGRZBDA-ZDUSSCGKSA-N 1 0 275.352 2.076 10 0 CEAERO CCC[NH2+][C@@H](C)[C@@H](C)c1nc(-c2ncccn2)no1 ZINC000109505561 186257398 /nfs/dbraw/zinc/25/73/98/186257398.db2.gz LQOUQEDVNZMREY-ZJUUUORDSA-N 1 0 261.329 2.018 10 0 CEAERO CCC[NH2+][C@H](C)[C@@H](CC)c1nc(-c2cnccn2)no1 ZINC000109507118 186257575 /nfs/dbraw/zinc/25/75/75/186257575.db2.gz YYCZJNWXXMVOAJ-GHMZBOCLSA-N 1 0 275.356 2.408 10 0 CEAERO C[NH2+][C@H](Cc1nc(COc2ccccc2)no1)C1CC1 ZINC000109509546 186257929 /nfs/dbraw/zinc/25/79/29/186257929.db2.gz DEHNXYSALQVBOD-CYBMUJFWSA-N 1 0 273.336 2.189 10 0 CEAERO C[NH2+][C@@H](C)[C@H](C)c1nc(Cc2ccccc2OC)no1 ZINC000109513445 186257936 /nfs/dbraw/zinc/25/79/36/186257936.db2.gz OEIVLUDANZRCDX-QWRGUYRKSA-N 1 0 275.352 2.380 10 0 CEAERO C[NH2+][C@H](C)CCc1nc(Cc2cccs2)no1 ZINC000109510452 186258178 /nfs/dbraw/zinc/25/81/78/186258178.db2.gz YAJAKTAPHWSUCR-SECBINFHSA-N 1 0 251.355 2.262 10 0 CEAERO C[NH2+][C@@H](C)CCc1nc(Cc2cccs2)no1 ZINC000109510448 186258326 /nfs/dbraw/zinc/25/83/26/186258326.db2.gz YAJAKTAPHWSUCR-VIFPVBQESA-N 1 0 251.355 2.262 10 0 CEAERO CC[NH2+][C@H]1CCCC[C@@H]1c1nc(-c2cnccn2)no1 ZINC000109507190 186258519 /nfs/dbraw/zinc/25/85/19/186258519.db2.gz RLRILKIIJCCQJP-QWRGUYRKSA-N 1 0 273.340 2.162 10 0 CEAERO CC[NH2+][C@@H]1CCC[C@@H]1c1nc(Cc2ccncc2)no1 ZINC000109509028 186258628 /nfs/dbraw/zinc/25/86/28/186258628.db2.gz LWHIYSAMFNFYQV-QWHCGFSZSA-N 1 0 272.352 2.301 10 0 CEAERO CC(C)[C@@H]([NH3+])Cc1nc(Cc2cc(F)cc(F)c2)no1 ZINC000109516830 186258793 /nfs/dbraw/zinc/25/87/93/186258793.db2.gz AOQANFYLDHAEJD-LBPRGKRZSA-N 1 0 281.306 2.464 10 0 CEAERO CC[NH2+][C@H]1CCC[C@H]1c1nc(CC(F)(F)F)no1 ZINC000109517265 186258901 /nfs/dbraw/zinc/25/89/01/186258901.db2.gz YQZFZVNQAPTITG-SFYZADRCSA-N 1 0 263.263 2.420 10 0 CEAERO CC[NH2+][C@H](Cc1nc(CC(F)(F)F)no1)C(C)C ZINC000109517335 186258941 /nfs/dbraw/zinc/25/89/41/186258941.db2.gz RCSYTAOKLQYEBM-MRVPVSSYSA-N 1 0 265.279 2.351 10 0 CEAERO CC(C)[C@@H]([NH3+])Cc1nc(Cc2ccccc2F)no1 ZINC000109516544 186259273 /nfs/dbraw/zinc/25/92/73/186259273.db2.gz ZAGWPHYTIGPBAH-LBPRGKRZSA-N 1 0 263.316 2.325 10 0 CEAERO C[N@@H+]1CC[C@@H](Nc2cc(C(=O)[O-])nc3ccccc32)C1 ZINC000109588399 186263914 /nfs/dbraw/zinc/26/39/14/186263914.db2.gz HSAGUEOYCNUMHH-SNVBAGLBSA-N 1 0 271.320 2.049 10 0 CEAERO CCc1c(C)nn(-c2ccc3c(c2)NC(=O)[C@H]3[NH2+]C)c1C ZINC000109572995 186263959 /nfs/dbraw/zinc/26/39/59/186263959.db2.gz BGGBSZLJGHVLBX-HNNXBMFYSA-N 1 0 284.363 2.264 10 0 CEAERO CCC[NH2+][C@H]1C(=O)Nc2cc(OC[C@H]3CCOC3)ccc21 ZINC000109576578 186264301 /nfs/dbraw/zinc/26/43/01/186264301.db2.gz OVXAPFODWHAEMA-XHDPSFHLSA-N 1 0 290.363 2.095 10 0 CEAERO COCCCN(C)c1cc(CO)[nH+]c2ccccc21 ZINC000109594756 186264935 /nfs/dbraw/zinc/26/49/35/186264935.db2.gz WCEMSTSDLXPUAJ-UHFFFAOYSA-N 1 0 260.337 2.200 10 0 CEAERO [NH3+]Cc1cc(OC2CCOCC2)c2ccccc2n1 ZINC000109589932 186265170 /nfs/dbraw/zinc/26/51/70/186265170.db2.gz DSCNCHNZRMUXFO-UHFFFAOYSA-N 1 0 258.321 2.251 10 0 CEAERO OCCC[C@@H]1CCCN1c1cc(CO)[nH+]c2ccccc21 ZINC000109594722 186265234 /nfs/dbraw/zinc/26/52/34/186265234.db2.gz HSTNEGYAEJNRAM-AWEZNQCLSA-N 1 0 286.375 2.468 10 0 CEAERO CCOC(=O)[C@@H]1CCCN1[C@@H](CC[NH3+])c1ccccc1 ZINC000109604564 186268161 /nfs/dbraw/zinc/26/81/61/186268161.db2.gz VJVKVTVTJJGPIX-GJZGRUSLSA-N 1 0 276.380 2.104 10 0 CEAERO CCCN(CC(=O)OCC)[C@@H](CC[NH3+])c1ccccc1 ZINC000109684929 186268573 /nfs/dbraw/zinc/26/85/73/186268573.db2.gz IIRILCVJHWAWNR-HNNXBMFYSA-N 1 0 278.396 2.352 10 0 CEAERO COc1ccc(NC(=S)N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000109670933 186269016 /nfs/dbraw/zinc/26/90/16/186269016.db2.gz ZRIAWPGJYOUIFY-CYBMUJFWSA-N 1 0 293.436 2.418 10 0 CEAERO Cc1ccc(C2CC([NH2+]CCc3nncn3C)C2)cc1 ZINC000109422009 186251805 /nfs/dbraw/zinc/25/18/05/186251805.db2.gz QBTZIWOMIDLMTL-UHFFFAOYSA-N 1 0 270.380 2.202 10 0 CEAERO CCC[C@H](C)CN1CC[NH+]([C@H](CC)C(N)=S)CC1 ZINC000109469412 186253562 /nfs/dbraw/zinc/25/35/62/186253562.db2.gz OYJBZVTVBBHLDI-QWHCGFSZSA-N 1 0 271.474 2.105 10 0 CEAERO Cc1cc(C)cc(-c2nc([C@@H](C)N3CC[NH2+]CC3)no2)c1 ZINC000109473896 186254936 /nfs/dbraw/zinc/25/49/36/186254936.db2.gz BLVJHLKKMUUZQP-CYBMUJFWSA-N 1 0 286.379 2.320 10 0 CEAERO Cc1cc(C(C)(C)C)nc([C@H](C)N2CC[NH2+]CC2)n1 ZINC000109475772 186255252 /nfs/dbraw/zinc/25/52/52/186255252.db2.gz NNLCIAKIJGBJEW-LBPRGKRZSA-N 1 0 262.401 2.049 10 0 CEAERO Cc1nnc(S[C@H](CC(N)=[NH2+])c2ccccc2)n1C ZINC000110355818 186293682 /nfs/dbraw/zinc/29/36/82/186293682.db2.gz WYSIMELDISGSJY-LLVKDONJSA-N 1 0 275.381 2.283 10 0 CEAERO CC[C@@H]([NH2+]C)[C@H](C)c1nc(Cc2ccccn2)no1 ZINC000110469808 186298456 /nfs/dbraw/zinc/29/84/56/186298456.db2.gz IWGUGBFTMIKEFB-CMPLNLGQSA-N 1 0 260.341 2.157 10 0 CEAERO CC[C@H]([NH3+])[C@H](C)c1nc(Cc2nc(C)cs2)no1 ZINC000110470290 186298542 /nfs/dbraw/zinc/29/85/42/186298542.db2.gz QSUYFRLYBACGSQ-IUCAKERBSA-N 1 0 266.370 2.266 10 0 CEAERO Cc1ccccc1NC(=O)CN1[C@@H](C[NH3+])CCC[C@@H]1C ZINC000110480818 186298908 /nfs/dbraw/zinc/29/89/08/186298908.db2.gz FRBOGOBNNVWIKI-UONOGXRCSA-N 1 0 275.396 2.135 10 0 CEAERO C[NH2+][C@@H](CO[C@H]1CCOC1)c1cc(C)ccc1OC ZINC000110526806 186300667 /nfs/dbraw/zinc/30/06/67/186300667.db2.gz CPDXDYWESLFXQW-JSGCOSHPSA-N 1 0 265.353 2.070 10 0 CEAERO CC[NH2+][C@@H](CO[C@@H]1CCOC1)c1cc(OC)ccc1OC ZINC000110526280 186300773 /nfs/dbraw/zinc/30/07/73/186300773.db2.gz JOSQBSZTLIDYPO-HIFRSBDPSA-N 1 0 295.379 2.160 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1sccc1C)N1CCNC(=O)C1(C)C ZINC000110653803 186310820 /nfs/dbraw/zinc/31/08/20/186310820.db2.gz HGAUECIIQCTLQU-RYUDHWBXSA-N 1 0 295.452 2.045 10 0 CEAERO COc1cc(NCCCC[NH+](C)C)c(N)cc1F ZINC000110627544 186306470 /nfs/dbraw/zinc/30/64/70/186306470.db2.gz BAHVMKJJQUGNGY-UHFFFAOYSA-N 1 0 255.337 2.170 10 0 CEAERO Cc1nc(C[NH2+]C[C@H](O)COCc2ccco2)sc1C ZINC000568976568 299171373 /nfs/dbraw/zinc/17/13/73/299171373.db2.gz YFLFGXKWFJBQBC-LBPRGKRZSA-N 1 0 296.392 2.020 10 0 CEAERO COC(=O)[C@@](N)(C[N@@H+]1CCC[C@@H](C)CC1)c1ccccc1 ZINC000110809310 186326513 /nfs/dbraw/zinc/32/65/13/186326513.db2.gz VOYMNIQYRUSMNS-RHSMWYFYSA-N 1 0 290.407 2.136 10 0 CEAERO C[N@H+](CCCC[C@@](C)([NH3+])C(=O)[O-])CC1CCCC1 ZINC000110840625 186328288 /nfs/dbraw/zinc/32/82/88/186328288.db2.gz QDZQRJPITIKTCU-CQSZACIVSA-N 1 0 256.390 2.081 10 0 CEAERO CC(C)(C)[NH2+]CC(=O)N[C@@H]1CCCc2occc21 ZINC000110838989 186329063 /nfs/dbraw/zinc/32/90/63/186329063.db2.gz FXECBLYSLSFFRJ-LLVKDONJSA-N 1 0 250.342 2.161 10 0 CEAERO CN(c1cccc(C(F)(F)F)n1)[C@@H]1CCC[NH2+]C1 ZINC000110932834 186333255 /nfs/dbraw/zinc/33/32/55/186333255.db2.gz UGTUIEOTFYIHSI-SECBINFHSA-N 1 0 259.275 2.289 10 0 CEAERO CCc1ccsc1C(=O)N(C)[C@H]1CCC[NH2+]C1 ZINC000110927252 186333343 /nfs/dbraw/zinc/33/33/43/186333343.db2.gz WRKBSUZAAWMKJJ-NSHDSACASA-N 1 0 252.383 2.135 10 0 CEAERO CN(Cc1ccn(-c2ccccc2)n1)[C@H]1CCC[NH2+]C1 ZINC000110930174 186333541 /nfs/dbraw/zinc/33/35/41/186333541.db2.gz ISYQSVVNACURDS-INIZCTEOSA-N 1 0 270.380 2.056 10 0 CEAERO CN(Cc1ccc(-n2cccn2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000110928674 186333739 /nfs/dbraw/zinc/33/37/39/186333739.db2.gz YHSISHPECGDJHK-MRXNPFEDSA-N 1 0 270.380 2.056 10 0 CEAERO C[C@H](CCc1ccc(O)cc1)N(C)[C@@H]1CCC[NH2+]C1 ZINC000110926515 186334007 /nfs/dbraw/zinc/33/40/07/186334007.db2.gz XEHAQRIMEKZMCS-UKRRQHHQSA-N 1 0 262.397 2.397 10 0 CEAERO CCCN(C(=O)[C@H]1CC=CCC1)[C@@H]1CCC[NH2+]C1 ZINC000110940229 186334217 /nfs/dbraw/zinc/33/42/17/186334217.db2.gz BKZFJLBWMQNYAB-UONOGXRCSA-N 1 0 250.386 2.333 10 0 CEAERO CCCN(C(=O)Cc1ccsc1)[C@@H]1CCC[NH2+]C1 ZINC000110940914 186334844 /nfs/dbraw/zinc/33/48/44/186334844.db2.gz WNMIOOWFXLITJD-CYBMUJFWSA-N 1 0 266.410 2.281 10 0 CEAERO CCN(C(=O)c1cccn1C(C)C)[C@@H]1CCC[NH2+]C1 ZINC000110940215 186334978 /nfs/dbraw/zinc/33/49/78/186334978.db2.gz XOWMHBQWZWRCHS-CYBMUJFWSA-N 1 0 263.385 2.283 10 0 CEAERO CCCN([C@@H](C)C(=O)Nc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000110945591 186335231 /nfs/dbraw/zinc/33/52/31/186335231.db2.gz YDTFKLUQLSCIBH-GOEBONIOSA-N 1 0 289.423 2.478 10 0 CEAERO CCN(Cc1noc(-c2ccccc2)n1)[C@@H]1CCC[NH2+]C1 ZINC000110944109 186335297 /nfs/dbraw/zinc/33/52/97/186335297.db2.gz XPXDIDJOUAGODC-CQSZACIVSA-N 1 0 286.379 2.311 10 0 CEAERO CCN(CC(=O)NCCC1=CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000110944030 186335757 /nfs/dbraw/zinc/33/57/57/186335757.db2.gz KMQMWFWTDXKBDT-MRXNPFEDSA-N 1 0 293.455 2.067 10 0 CEAERO CCCN(Cc1cnc(C)s1)[C@H]1CCC[NH2+]C1 ZINC000110946781 186336003 /nfs/dbraw/zinc/33/60/03/186336003.db2.gz MBXPDPJVHOTTRG-LBPRGKRZSA-N 1 0 253.415 2.416 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(C)cc1OCc1nnc(C)n1C ZINC000110959346 186336480 /nfs/dbraw/zinc/33/64/80/186336480.db2.gz GRBWNCMLVJAFKS-NSHDSACASA-N 1 0 274.368 2.291 10 0 CEAERO Cc1ccc([C@H](C)[NH3+])c(O[C@H]2CCCCNC2=O)c1 ZINC000110958489 186336728 /nfs/dbraw/zinc/33/67/28/186336728.db2.gz QVJPDCNSXZYJES-AAEUAGOBSA-N 1 0 262.353 2.062 10 0 CEAERO Cc1ccc([C@H](C)[NH3+])c(O[C@@H]2CCCCNC2=O)c1 ZINC000110958488 186336810 /nfs/dbraw/zinc/33/68/10/186336810.db2.gz QVJPDCNSXZYJES-WCQYABFASA-N 1 0 262.353 2.062 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccc(C)cc1OCC(=O)NC ZINC000110961752 186337642 /nfs/dbraw/zinc/33/76/42/186337642.db2.gz KXQIEQFOKIFAEQ-LBPRGKRZSA-N 1 0 264.369 2.180 10 0 CEAERO CC[NH2+][C@@H](C)c1ccc(C)cc1OCC(=O)N(C)C ZINC000110960916 186337702 /nfs/dbraw/zinc/33/77/02/186337702.db2.gz AUXXITGYNYVONS-LBPRGKRZSA-N 1 0 264.369 2.133 10 0 CEAERO C[C@H]1CN(Cc2ccc(N)cc2Cl)CC[N@@H+]1C ZINC000110702161 186314533 /nfs/dbraw/zinc/31/45/33/186314533.db2.gz SNCPJPZWXAZNJD-JTQLQIEISA-N 1 0 253.777 2.058 10 0 CEAERO CC[C@@H]1CN(Cc2ccnc(Cl)c2)CC[N@@H+]1C ZINC000110717623 186316079 /nfs/dbraw/zinc/31/60/79/186316079.db2.gz ARCVLILEIKJADT-GFCCVEGCSA-N 1 0 253.777 2.261 10 0 CEAERO C[C@@H]1C[N@H+](CCCC(=O)c2ccccc2)CCN1C ZINC000110727223 186317514 /nfs/dbraw/zinc/31/75/14/186317514.db2.gz ITDWEXBXWYPEHV-CQSZACIVSA-N 1 0 260.381 2.285 10 0 CEAERO C[C@H]1CCC(=O)[C@@H](C[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC000110744131 186318617 /nfs/dbraw/zinc/31/86/17/186318617.db2.gz MICCIVTXSXIZMG-QWHCGFSZSA-N 1 0 252.402 2.018 10 0 CEAERO CC[C@@H]1CN(C(=O)c2ccc3c(c2)CCCN3)CC[N@@H+]1C ZINC000110741698 186319104 /nfs/dbraw/zinc/31/91/04/186319104.db2.gz JNFDKYSVYGHTMA-OAHLLOKOSA-N 1 0 287.407 2.211 10 0 CEAERO Cc1cccc(NCCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000110758180 186321259 /nfs/dbraw/zinc/32/12/59/186321259.db2.gz VOPVXPILBIESON-UHFFFAOYSA-N 1 0 261.413 2.433 10 0 CEAERO CCOC(=O)c1cc(C)sc1NC(=O)C(C)(C)[NH2+]C ZINC000110777550 186323021 /nfs/dbraw/zinc/32/30/21/186323021.db2.gz BPSBOUMWUJJAAX-UHFFFAOYSA-N 1 0 284.381 2.170 10 0 CEAERO Cc1cc2c(ncnc2OCC2CC[NH2+]CC2)s1 ZINC000110779742 186324184 /nfs/dbraw/zinc/32/41/84/186324184.db2.gz KEJHUIUEOXXTHA-UHFFFAOYSA-N 1 0 263.366 2.378 10 0 CEAERO O[C@@H]1C[NH2+]C[C@@H]1Oc1ccc(Oc2ccccc2)cc1 ZINC000111059757 186349034 /nfs/dbraw/zinc/34/90/34/186349034.db2.gz PGWPVWNQSXHYBB-CVEARBPZSA-N 1 0 271.316 2.190 10 0 CEAERO Cc1cc(N[C@H]2CCC(=O)NC2)c2ccccc2[nH+]1 ZINC000111021849 186345074 /nfs/dbraw/zinc/34/50/74/186345074.db2.gz RUJJSTISVAQYFH-NSHDSACASA-N 1 0 255.321 2.234 10 0 CEAERO CN(C[C@@H]1CCCCO1)[C@@H](C[NH3+])c1cccc(F)c1F ZINC000111039521 186347049 /nfs/dbraw/zinc/34/70/49/186347049.db2.gz IWTGGSHXSQZHHJ-FZMZJTMJSA-N 1 0 284.350 2.466 10 0 CEAERO [NH3+]C[C@H](c1cccc(F)c1F)N1CCSCC1 ZINC000111039125 186347267 /nfs/dbraw/zinc/34/72/67/186347267.db2.gz QTVXRTRPTAJCSP-LLVKDONJSA-N 1 0 258.337 2.013 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@H](C)c2cccc(F)c2)C1 ZINC000147742867 539807107 /nfs/dbraw/zinc/80/71/07/539807107.db2.gz NEUKAHGFVYHHTN-IUODEOHRSA-N 1 0 266.360 2.197 10 0 CEAERO CCOc1ccc([C@H](C)NC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000091540186 539807135 /nfs/dbraw/zinc/80/71/35/539807135.db2.gz PSKXFMCOEDCIHK-YUTCNCBUSA-N 1 0 276.380 2.390 10 0 CEAERO CCc1ccc([C@@H](C[NH3+])N(C)CC2CCOCC2)o1 ZINC000111159994 186362153 /nfs/dbraw/zinc/36/21/53/186362153.db2.gz IOLSUZJGISRIEF-CQSZACIVSA-N 1 0 266.385 2.200 10 0 CEAERO CN(C[C@@H]1CCCOC1)[C@@H](C[NH3+])c1ccc(F)c(F)c1 ZINC000111157784 186362336 /nfs/dbraw/zinc/36/23/36/186362336.db2.gz FKPUCARVXKKFPH-NHYWBVRUSA-N 1 0 284.350 2.323 10 0 CEAERO C[C@H]([C@H](N)c1ccccc1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111160414 186362373 /nfs/dbraw/zinc/36/23/73/186362373.db2.gz VANMXZVDRUYOJY-YCPHGPKFSA-N 1 0 262.397 2.433 10 0 CEAERO CCC1(C(=O)NC[C@H]2C[C@H]3CC[C@@H]2C3)CC[NH2+]CC1 ZINC000111086312 186351486 /nfs/dbraw/zinc/35/14/86/186351486.db2.gz LWYZQQHUHDTBJU-BFHYXJOUSA-N 1 0 264.413 2.319 10 0 CEAERO CCCOCCOc1c(C(N)=[NH2+])cnc2ccccc21 ZINC000111109116 186353211 /nfs/dbraw/zinc/35/32/11/186353211.db2.gz HXUFVEUXIPWUFO-UHFFFAOYSA-N 1 0 273.336 2.324 10 0 CEAERO CCCOCCOCCOc1ccc(C[NH2+]C)cc1 ZINC000111111268 186353850 /nfs/dbraw/zinc/35/38/50/186353850.db2.gz YDVWKFZUHWZLSY-UHFFFAOYSA-N 1 0 267.369 2.228 10 0 CEAERO O=c1[nH]c([NH2+]CC2CCOCC2)cc2ccccc21 ZINC000111166066 186363578 /nfs/dbraw/zinc/36/35/78/186363578.db2.gz JHPLBQXGHJYMKT-UHFFFAOYSA-N 1 0 258.321 2.367 10 0 CEAERO CCOCCN(CC)[C@@H]([C@@H]([NH3+])CC)C(F)(F)F ZINC000111116887 186355658 /nfs/dbraw/zinc/35/56/58/186355658.db2.gz JWVYLQSEPDBXKA-UWVGGRQHSA-N 1 0 256.312 2.013 10 0 CEAERO C[C@@H](O)c1cc(F)ccc1N(C)CCC[NH+](C)C ZINC000111139433 186356965 /nfs/dbraw/zinc/35/69/65/186356965.db2.gz GWWUSFLQCTYKER-LLVKDONJSA-N 1 0 254.349 2.267 10 0 CEAERO C[C@H](O)c1ccc(N(C)CC[NH+](C)C)c(Cl)c1 ZINC000111139262 186357858 /nfs/dbraw/zinc/35/78/58/186357858.db2.gz GZRAHSOGPHXQCM-JTQLQIEISA-N 1 0 256.777 2.391 10 0 CEAERO C[C@@H](C[N@H+](C)CCCN(C)C)C(=O)c1ccccc1 ZINC000111146522 186359638 /nfs/dbraw/zinc/35/96/38/186359638.db2.gz ZYGMMHFOOKGSSY-AWEZNQCLSA-N 1 0 262.397 2.389 10 0 CEAERO C[C@@H]([C@@H](N)c1ccccc1)[N@H+](C)CC1CCOCC1 ZINC000111161609 186364284 /nfs/dbraw/zinc/36/42/84/186364284.db2.gz WPEVOQJWCIWQRN-XJKSGUPXSA-N 1 0 262.397 2.433 10 0 CEAERO Nc1cncc(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000111178047 186365390 /nfs/dbraw/zinc/36/53/90/186365390.db2.gz CCJJXBOAYSBZAA-CQSZACIVSA-N 1 0 283.379 2.135 10 0 CEAERO CCN(C(=O)[C@@H]1CCOc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000111186334 186367429 /nfs/dbraw/zinc/36/74/29/186367429.db2.gz AFXAPFTYTPYYTC-UKRRQHHQSA-N 1 0 288.391 2.153 10 0 CEAERO CCC[NH2+]CCc1nnc(-c2ccc3c(c2)COC3)o1 ZINC000111307068 186394324 /nfs/dbraw/zinc/39/43/24/186394324.db2.gz IFQVKZIOSDBXEX-UHFFFAOYSA-N 1 0 273.336 2.309 10 0 CEAERO CC(C)C[NH2+]C[C@]1(CN2CCOC(C)(C)C2)CCCOC1 ZINC000111325778 186398549 /nfs/dbraw/zinc/39/85/49/186398549.db2.gz LFJRSLMDAMYOLT-KRWDZBQOSA-N 1 0 298.471 2.140 10 0 CEAERO CN(C[C@]1(C[NH3+])CCCOC1)c1cccc(F)c1 ZINC000111327480 186398713 /nfs/dbraw/zinc/39/87/13/186398713.db2.gz ONCOALOGFQFVOE-CQSZACIVSA-N 1 0 252.333 2.017 10 0 CEAERO CC[NH2+]C[C@]1(CN(CC(F)(F)F)C2CC2)CCCOC1 ZINC000111326230 186398809 /nfs/dbraw/zinc/39/88/09/186398809.db2.gz SNZYNEYPVSKSCY-ZDUSSCGKSA-N 1 0 294.361 2.419 10 0 CEAERO O=C(Nc1ccc(Cl)cn1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111243417 186375135 /nfs/dbraw/zinc/37/51/35/186375135.db2.gz IEEIEBGWPRAOHX-SNVBAGLBSA-N 1 0 293.676 2.216 10 0 CEAERO CCN(C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)C1CCCC1 ZINC000111243776 186375596 /nfs/dbraw/zinc/37/55/96/186375596.db2.gz DLMRZZCMSHDHGO-GFCCVEGCSA-N 1 0 278.318 2.320 10 0 CEAERO C[C@@H]1CCCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)[C@@H]1C ZINC000111246850 186376425 /nfs/dbraw/zinc/37/64/25/186376425.db2.gz MNUVBYKGYKLCPI-FOGDFJRCSA-N 1 0 278.318 2.175 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1c1nc(Cc2ccc(F)cc2)no1 ZINC000111256326 186379157 /nfs/dbraw/zinc/37/91/57/186379157.db2.gz TYZVGDQGKJSIDR-SKDRFNHKSA-N 1 0 261.300 2.122 10 0 CEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)O[C@@H]1CCCc2ccccc21 ZINC000111257514 186379682 /nfs/dbraw/zinc/37/96/82/186379682.db2.gz SRQAYQWZIKBRTC-TUKIKUTGSA-N 1 0 259.349 2.463 10 0 CEAERO COc1cc(OC)c(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)cc1Cl ZINC000111263102 186380868 /nfs/dbraw/zinc/38/08/68/186380868.db2.gz UHLURJZRFSXQOH-RKDXNWHRSA-N 1 0 298.770 2.151 10 0 CEAERO CCCN(Cc1ccccc1)C(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000111264142 186381397 /nfs/dbraw/zinc/38/13/97/186381397.db2.gz AKUDFUXUVQZBFJ-ZFWWWQNUSA-N 1 0 260.381 2.281 10 0 CEAERO Cc1ccc(Cl)cc1NC(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000111263635 186381893 /nfs/dbraw/zinc/38/18/93/186381893.db2.gz CBVHKGBRDZTAMQ-KOLCDFICSA-N 1 0 252.745 2.442 10 0 CEAERO CC(C)N(C)c1ccc(NC(=O)[C@@H]2C[NH2+]C[C@@H]2C)cc1F ZINC000111264925 186381976 /nfs/dbraw/zinc/38/19/76/186381976.db2.gz ARPMHXKKXRCZTK-WCQYABFASA-N 1 0 293.386 2.464 10 0 CEAERO Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H]2C[NH2+]C[C@@H]2C)c1 ZINC000111266977 186382480 /nfs/dbraw/zinc/38/24/80/186382480.db2.gz HCGVFEZXTFVTIH-GZBFAFLISA-N 1 0 260.381 2.336 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(Cl)cc1F ZINC000111266004 186383106 /nfs/dbraw/zinc/38/31/06/186383106.db2.gz DYWDLTWYSOEDSP-IONNQARKSA-N 1 0 256.708 2.273 10 0 CEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000111266889 186383322 /nfs/dbraw/zinc/38/33/22/186383322.db2.gz PTTHEUKWJSWWPY-IDWGSYCQSA-N 1 0 278.318 2.079 10 0 CEAERO COc1cc(Cl)c(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)cc1OC ZINC000111265881 186383344 /nfs/dbraw/zinc/38/33/44/186383344.db2.gz JSGZIWPMJGZVKU-RKDXNWHRSA-N 1 0 298.770 2.151 10 0 CEAERO CCOc1cc(C)ccc1NC(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000111267584 186383363 /nfs/dbraw/zinc/38/33/63/186383363.db2.gz QPJQSYKRRKCZQJ-NWDGAFQWSA-N 1 0 262.353 2.188 10 0 CEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CC=C(c2ccccc2)CC1 ZINC000111268530 186384218 /nfs/dbraw/zinc/38/42/18/186384218.db2.gz OOUHRKTZOYCOBV-CJNGLKHVSA-N 1 0 270.376 2.158 10 0 CEAERO C[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc2[nH]ccc2c1 ZINC000111277440 186386300 /nfs/dbraw/zinc/38/63/00/186386300.db2.gz GBKBEXXSZIARNS-LBPRGKRZSA-N 1 0 271.364 2.382 10 0 CEAERO CC(C)(C)C1CCN(C(=O)c2ccc(C[NH3+])cn2)CC1 ZINC000111282235 186387824 /nfs/dbraw/zinc/38/78/24/186387824.db2.gz ARFBDJOLEWECPP-UHFFFAOYSA-N 1 0 275.396 2.439 10 0 CEAERO Cc1cccc(C)c1NC(=O)c1ccc(C[NH3+])cn1 ZINC000111281139 186388761 /nfs/dbraw/zinc/38/87/61/186388761.db2.gz MVKOKMCKWAXEAS-UHFFFAOYSA-N 1 0 255.321 2.409 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)c1ccc2[nH]ccc2c1 ZINC000111288937 186391401 /nfs/dbraw/zinc/39/14/01/186391401.db2.gz YXAABAPIJRFBRT-JSGCOSHPSA-N 1 0 257.337 2.168 10 0 CEAERO Cc1c(Cl)ncnc1OCC[NH+]1CCCCC1 ZINC000111294092 186391844 /nfs/dbraw/zinc/39/18/44/186391844.db2.gz KQXPFKLJNXZXBO-UHFFFAOYSA-N 1 0 255.749 2.303 10 0 CEAERO [NH3+][C@@H](c1ccc2c(c1)COC2)c1ccc2c(c1)CC(=O)N2 ZINC000111305625 186393488 /nfs/dbraw/zinc/39/34/88/186393488.db2.gz GDHBCPYUGFBYKU-KRWDZBQOSA-N 1 0 280.327 2.260 10 0 CEAERO [NH3+]CCc1c(N2CCc3sccc3C2)nc2ccccn21 ZINC000111478014 186422167 /nfs/dbraw/zinc/42/21/67/186422167.db2.gz HYAPIXXUUIRASE-UHFFFAOYSA-N 1 0 298.415 2.460 10 0 CEAERO [NH3+]CCc1ccc(Br)cc1N1CCCOCC1 ZINC000111482811 186422626 /nfs/dbraw/zinc/42/26/26/186422626.db2.gz CEWQBBMKNZUTME-UHFFFAOYSA-N 1 0 299.212 2.177 10 0 CEAERO CC[C@H]([NH3+])Cc1c(N(C)C2CC2)nc2sccn12 ZINC000111491081 186424016 /nfs/dbraw/zinc/42/40/16/186424016.db2.gz YCOWVZVLFKPJCC-VIFPVBQESA-N 1 0 264.398 2.274 10 0 CEAERO Cc1nn(C)c(N2CC[C@H](C)C[C@@H]2C)c1C[C@@H](C)[NH3+] ZINC000111495751 186424312 /nfs/dbraw/zinc/42/43/12/186424312.db2.gz NDLDOVPTWHARFL-TUAOUCFPSA-N 1 0 264.417 2.243 10 0 CEAERO CC[C@@H]([NH3+])Cc1c(C)nn(C)c1-n1nc(C)c(C)c1C ZINC000111514437 186425919 /nfs/dbraw/zinc/42/59/19/186425919.db2.gz GEWLZLBUFQHNIJ-CYBMUJFWSA-N 1 0 275.400 2.119 10 0 CEAERO CC[C@@H]([NH3+])Cc1cc(F)ccc1Sc1nncn1C ZINC000111581940 186430307 /nfs/dbraw/zinc/43/03/07/186430307.db2.gz RVJQMTPYLVIWJT-LLVKDONJSA-N 1 0 280.372 2.385 10 0 CEAERO Cc1ccnc(-c2noc(C3CCC([NH3+])CC3)n2)c1 ZINC000111679359 186440126 /nfs/dbraw/zinc/44/01/26/186440126.db2.gz WEGRCKBDAZFGQP-UHFFFAOYSA-N 1 0 258.325 2.425 10 0 CEAERO CC[NH2+][C@@H](CC)Cc1nc(-c2cc(C)ccn2)no1 ZINC000111682989 186442317 /nfs/dbraw/zinc/44/23/17/186442317.db2.gz WSPLBEGQAXIXEF-NSHDSACASA-N 1 0 260.341 2.371 10 0 CEAERO CCC[NH2+]C[C@@H]1CCCCN1CC(=O)N1CCCCCC1 ZINC000111701942 186446500 /nfs/dbraw/zinc/44/65/00/186446500.db2.gz QEUMXFMHWUYVHD-INIZCTEOSA-N 1 0 295.471 2.243 10 0 CEAERO CCN(CC)C(=O)CN1CCCC[C@@H]1C[NH2+]C(C)(C)C ZINC000111703867 186448005 /nfs/dbraw/zinc/44/80/05/186448005.db2.gz RGMYJPPSLZASMA-CQSZACIVSA-N 1 0 283.460 2.097 10 0 CEAERO Cc1ccc(C(=O)N[C@@H](C[NH3+])Cc2ccccc2)cc1 ZINC000111365649 186406815 /nfs/dbraw/zinc/40/68/15/186406815.db2.gz FWZIDNSLRXYFNR-MRXNPFEDSA-N 1 0 268.360 2.295 10 0 CEAERO [NH3+]C[C@@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1 ZINC000111365959 186406929 /nfs/dbraw/zinc/40/69/29/186406929.db2.gz WEVLCNAPANTLRL-OAHLLOKOSA-N 1 0 272.323 2.126 10 0 CEAERO [NH3+][C@@H]1Cc2ccccc2[C@@H]1NC(=O)c1cc(F)cc(F)c1 ZINC000111367068 186407064 /nfs/dbraw/zinc/40/70/64/186407064.db2.gz GUAXMZXUXYFHME-CABCVRRESA-N 1 0 288.297 2.319 10 0 CEAERO Cc1cccnc1C(=O)N[C@@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000111369857 186407356 /nfs/dbraw/zinc/40/73/56/186407356.db2.gz ZOMODWKQEDIDLB-ABAIWWIYSA-N 1 0 261.369 2.027 10 0 CEAERO [NH3+]CCc1cccc(-c2nc(Cc3ccncc3)no2)c1 ZINC000111404447 186413696 /nfs/dbraw/zinc/41/36/96/186413696.db2.gz PGJGFDPLSNNZBB-UHFFFAOYSA-N 1 0 280.331 2.224 10 0 CEAERO COc1cc(Cl)ccc1C(=O)N1[C@H](C)C[NH2+]C[C@@H]1C ZINC000111903154 186464482 /nfs/dbraw/zinc/46/44/82/186464482.db2.gz PCVJNXJWQYLSFF-AOOOYVTPSA-N 1 0 282.771 2.171 10 0 CEAERO FC(F)(F)c1cc(CN[C@@H]2CC[NH2+]C2)cs1 ZINC000629548117 351407406 /nfs/dbraw/zinc/40/74/06/351407406.db2.gz CYCONBVVPPJPBG-MRVPVSSYSA-N 1 0 250.289 2.218 10 0 CEAERO CC(C)CC[C@H](C)[NH2+]C[C@H](O)COCCOC(C)C ZINC000070185058 363049565 /nfs/dbraw/zinc/04/95/65/363049565.db2.gz QMQVYETWBQGJMF-GJZGRUSLSA-N 1 0 275.433 2.203 10 0 CEAERO C[C@H]1CN(C(=O)C(C)(C)[C@H]2CCC[NH2+]C2)CC(C)(C)O1 ZINC000119688490 186844419 /nfs/dbraw/zinc/84/44/19/186844419.db2.gz AGQJQYADZYSGCE-STQMWFEESA-N 1 0 282.428 2.038 10 0 CEAERO CCC[C@H](O)C[NH2+][C@H](C)c1c(C)nn(CC)c1C ZINC000131106090 366021785 /nfs/dbraw/zinc/02/17/85/366021785.db2.gz NONBZGRJKAYBTN-MFKMUULPSA-N 1 0 253.390 2.331 10 0 CEAERO Cc1ncccc1C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000120325893 186892183 /nfs/dbraw/zinc/89/21/83/186892183.db2.gz JFKFAOAIYVGPEN-UHFFFAOYSA-N 1 0 283.379 2.257 10 0 CEAERO CO[C@H]1CN(C(=O)c2cccc(C)c2Cl)[C@](C)(C[NH3+])C1 ZINC000630375634 351716215 /nfs/dbraw/zinc/71/62/15/351716215.db2.gz SESSJVRBLOMRON-ABAIWWIYSA-N 1 0 296.798 2.227 10 0 CEAERO CCCc1noc(-c2cccnc2N2CCC[C@H]([NH3+])C2)n1 ZINC000070457948 363086262 /nfs/dbraw/zinc/08/62/62/363086262.db2.gz LTPBWISAKHLXAK-NSHDSACASA-N 1 0 287.367 2.012 10 0 CEAERO Cc1cccc(-c2cc3c(N4CC[NH2+]CC4)nccn3n2)c1 ZINC000070459161 363087446 /nfs/dbraw/zinc/08/74/46/363087446.db2.gz WQBGNDPLYOPPTM-UHFFFAOYSA-N 1 0 293.374 2.114 10 0 CEAERO CCc1cc(N2CC[C@H]([NH3+])C2)nc(-c2ccc(OC)cc2)n1 ZINC000070455853 363085085 /nfs/dbraw/zinc/08/50/85/363085085.db2.gz QIFAKJNJKYICRN-ZDUSSCGKSA-N 1 0 298.390 2.252 10 0 CEAERO CCc1sc(C(=O)N2C[C@@H](OC)C[C@]2(C)C[NH3+])cc1C ZINC000630357532 351710618 /nfs/dbraw/zinc/71/06/18/351710618.db2.gz DVVXWMFTKMMEQX-XHDPSFHLSA-N 1 0 296.436 2.197 10 0 CEAERO Cc1nc(-c2ccccn2)cc(N2CCC(C[NH3+])CC2)n1 ZINC000070456180 363085337 /nfs/dbraw/zinc/08/53/37/363085337.db2.gz FDTCGWIBHYKYJM-UHFFFAOYSA-N 1 0 283.379 2.022 10 0 CEAERO CO[C@@H]1CN(Cc2cccc(Cl)c2F)[C@](C)(C[NH3+])C1 ZINC000630370097 351715531 /nfs/dbraw/zinc/71/55/31/351715531.db2.gz YOCSOPBBJLUNNH-FZMZJTMJSA-N 1 0 286.778 2.417 10 0 CEAERO CO[C@H]1CN(C(=O)c2ccc(Cl)cc2C)[C@@](C)(C[NH3+])C1 ZINC000630373049 351715803 /nfs/dbraw/zinc/71/58/03/351715803.db2.gz IRKDYYHVXHKXMG-IUODEOHRSA-N 1 0 296.798 2.227 10 0 CEAERO [NH3+][C@@H]1CCCCCN(c2nnc(C(F)(F)F)s2)C1 ZINC000630548631 351780020 /nfs/dbraw/zinc/78/00/20/351780020.db2.gz HLEJDCKWFNKQDL-SSDOTTSWSA-N 1 0 280.319 2.265 10 0 CEAERO C[C@@H]1CN(c2cc(C(F)(F)F)ccn2)C[C@@H]1C[NH3+] ZINC000630572672 351788672 /nfs/dbraw/zinc/78/86/72/351788672.db2.gz RCABBCVHJZGTSB-BDAKNGLRSA-N 1 0 259.275 2.131 10 0 CEAERO C[C@H](N[C@@H](C[NH+](C)C)c1ccccc1)c1cnccn1 ZINC000070477569 363089622 /nfs/dbraw/zinc/08/96/22/363089622.db2.gz PJGDNZZPARWNQD-BBRMVZONSA-N 1 0 270.380 2.430 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc(F)cn1 ZINC000122295040 187025393 /nfs/dbraw/zinc/02/53/93/187025393.db2.gz GCLFPZNFHQRWNM-GFCCVEGCSA-N 1 0 280.347 2.169 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@H]1CCCS1 ZINC000123165754 187074921 /nfs/dbraw/zinc/07/49/21/187074921.db2.gz URUNCOOSNAWHAW-CHWSQXEVSA-N 1 0 287.473 2.158 10 0 CEAERO C[C@@H]1CN(Cc2ccc(Cl)nc2)C[C@@H]1[NH+](C)C ZINC000124116973 187122559 /nfs/dbraw/zinc/12/25/59/187122559.db2.gz MGBKHROIYDKQEC-PWSUYJOCSA-N 1 0 253.777 2.117 10 0 CEAERO CC[C@@](C)(O)C[N@H+](C)CCOc1ccc(C)cc1 ZINC000123235109 187079643 /nfs/dbraw/zinc/07/96/43/187079643.db2.gz BYTWNOMRIDXUFK-OAHLLOKOSA-N 1 0 251.370 2.467 10 0 CEAERO COCCOc1ccc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000070575506 363097079 /nfs/dbraw/zinc/09/70/79/363097079.db2.gz PNJXAAWYUGHNNN-STQMWFEESA-N 1 0 292.379 2.168 10 0 CEAERO CC[C@@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccc(F)cc1 ZINC000123416367 187090419 /nfs/dbraw/zinc/09/04/19/187090419.db2.gz CEBNYHYLEXWSDP-HUUCEWRRSA-N 1 0 278.371 2.482 10 0 CEAERO CC[C@@H](O)C[NH+]1CCN(Cc2ccc(F)c(C)c2)CC1 ZINC000123534830 187097657 /nfs/dbraw/zinc/09/76/57/187097657.db2.gz QYULDCUXLJBEMX-OAHLLOKOSA-N 1 0 280.387 2.023 10 0 CEAERO CCc1nc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)sc1C ZINC000070577810 363099663 /nfs/dbraw/zinc/09/96/63/363099663.db2.gz MXCQUKGGZPMRMV-VHSXEESVSA-N 1 0 267.398 2.470 10 0 CEAERO C[C@@H](Sc1ccc(Br)cn1)C(N)=[NH2+] ZINC000070614994 363100585 /nfs/dbraw/zinc/10/05/85/363100585.db2.gz COFVVZLXPORVJE-RXMQYKEDSA-N 1 0 260.160 2.261 10 0 CEAERO O=C(NC[C@@H]1CC[NH2+]C1)Nc1cccc(Cl)c1 ZINC000133709405 187702514 /nfs/dbraw/zinc/70/25/14/187702514.db2.gz PCFRBJFSZPYROA-SECBINFHSA-N 1 0 253.733 2.071 10 0 CEAERO CCN1CCO[C@H](C[NH2+][C@H](C)c2ccsc2)C1 ZINC000252646005 539884536 /nfs/dbraw/zinc/88/45/36/539884536.db2.gz RHXBAVLDCGSGPK-DGCLKSJQSA-N 1 0 254.399 2.119 10 0 CEAERO [NH3+][C@@H](CNc1ncnc2c1CCCC2)c1ccccc1 ZINC000094872468 539887016 /nfs/dbraw/zinc/88/70/16/539887016.db2.gz GWXCZYWAIBAEGD-AWEZNQCLSA-N 1 0 268.364 2.467 10 0 CEAERO CCC[NH2+][C@H](C)c1c(F)cccc1N1CCN(C)C(=O)C1 ZINC000084204771 535192152 /nfs/dbraw/zinc/19/21/52/535192152.db2.gz KQTIKEFIJJDHFS-GFCCVEGCSA-N 1 0 293.386 2.165 10 0 CEAERO C[NH+](C)C[C@@H](NC(=O)[C@H]1CC1(C)C)c1ccccc1 ZINC000152483597 188022391 /nfs/dbraw/zinc/02/23/91/188022391.db2.gz SSOLEYWXYKQLHG-ZIAGYGMSSA-N 1 0 260.381 2.452 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1nccs1 ZINC000153875897 188108671 /nfs/dbraw/zinc/10/86/71/188108671.db2.gz CACJSBSBGQHXCG-GFCCVEGCSA-N 1 0 296.440 2.063 10 0 CEAERO CC[C@@H]1CN(c2ccc(C(F)(F)F)nn2)CC[C@H]1[NH3+] ZINC000251574115 539979145 /nfs/dbraw/zinc/97/91/45/539979145.db2.gz BZVCOYXSIRYZQY-RKDXNWHRSA-N 1 0 274.290 2.059 10 0 CEAERO Cc1ccc(CC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000155692007 188220897 /nfs/dbraw/zinc/22/08/97/188220897.db2.gz CATKMPYLSRLGMU-GOEBONIOSA-N 1 0 274.408 2.382 10 0 CEAERO Cc1cc(C)cc(CCNC(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000156158887 188245951 /nfs/dbraw/zinc/24/59/51/188245951.db2.gz DUBPUXMQIZUKJJ-MRXNPFEDSA-N 1 0 289.423 2.191 10 0 CEAERO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000157945624 188349304 /nfs/dbraw/zinc/34/93/04/188349304.db2.gz YAGJGHDVDNBSRR-SYAUCNOPSA-N 1 0 272.392 2.342 10 0 CEAERO CC(C)[NH2+]CCCNc1ccc(S(C)(=O)=O)cc1F ZINC000569461676 299204089 /nfs/dbraw/zinc/20/40/89/299204089.db2.gz GVHIIOHCBSZXHA-UHFFFAOYSA-N 1 0 288.388 2.029 10 0 CEAERO CCO[C@H](CCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)C(C)C ZINC000236943532 370661377 /nfs/dbraw/zinc/66/13/77/370661377.db2.gz BPARABVTNPCGGS-BFHYXJOUSA-N 1 0 270.417 2.071 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000165240395 540015406 /nfs/dbraw/zinc/01/54/06/540015406.db2.gz HXCVGKHFSIMWIW-NHYWBVRUSA-N 1 0 284.350 2.336 10 0 CEAERO CCCCN(C)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000132597517 366156283 /nfs/dbraw/zinc/15/62/83/366156283.db2.gz IGZYJPYGZCUXCK-STQMWFEESA-N 1 0 255.406 2.157 10 0 CEAERO Cc1occc1CN(C)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000132507614 366149767 /nfs/dbraw/zinc/14/97/67/366149767.db2.gz WIQXFFXOFNXNAQ-WFASDCNBSA-N 1 0 293.411 2.458 10 0 CEAERO Cc1cc(C(=O)N2CC[C@H]([NH+](C)C)C2)c(C)n1C(C)C ZINC000170860370 188698207 /nfs/dbraw/zinc/69/82/07/188698207.db2.gz NWWFMMNKMGSJHH-AWEZNQCLSA-N 1 0 277.412 2.462 10 0 CEAERO COc1cc(Br)c2c(c1)C[C@@H]([C@H](C)[NH3+])CO2 ZINC000675063937 540084121 /nfs/dbraw/zinc/08/41/21/540084121.db2.gz UKSDHDFLNGTNND-IONNQARKSA-N 1 0 286.169 2.356 10 0 CEAERO CCCC(CCC)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000401876952 540100687 /nfs/dbraw/zinc/10/06/87/540100687.db2.gz ODAVSTHYVJIVJN-VIFPVBQESA-N 1 0 254.296 2.209 10 0 CEAERO Cc1nc([C@H](C)NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cs1 ZINC000261825966 540153796 /nfs/dbraw/zinc/15/37/96/540153796.db2.gz TUTLIOGNRLVAJK-JMJZKYOTSA-N 1 0 267.398 2.004 10 0 CEAERO CCc1cc(CC)nc(N2CC[C@@H](C)C[C@H]2C[NH3+])n1 ZINC000261612345 540149597 /nfs/dbraw/zinc/14/95/97/540149597.db2.gz SNXYTYAAVRNQFU-RISCZKNCSA-N 1 0 262.401 2.165 10 0 CEAERO O=C(CC[C@H]1CCC[NH2+]1)NC1C2CC3CC(C2)CC1C3 ZINC000261823012 540153185 /nfs/dbraw/zinc/15/31/85/540153185.db2.gz UDHYTIZJWIJTAY-UWRLEFKFSA-N 1 0 276.424 2.460 10 0 CEAERO CN(Cc1ccsc1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054306071 540207981 /nfs/dbraw/zinc/20/79/81/540207981.db2.gz UXCOAEMUQDNYSF-LLVKDONJSA-N 1 0 252.383 2.096 10 0 CEAERO C[C@@H]([NH2+]CCCN(C)c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000570077244 299236529 /nfs/dbraw/zinc/23/65/29/299236529.db2.gz RLBPNHWTMNVZOC-CVEARBPZSA-N 1 0 275.440 2.491 10 0 CEAERO O[C@@H](c1cscc1Br)[C@H]1CC[NH2+]C1 ZINC000575513473 366293143 /nfs/dbraw/zinc/29/31/43/366293143.db2.gz ATVCAQIOVFHNSV-IMTBSYHQSA-N 1 0 262.172 2.154 10 0 CEAERO C[NH+](C)[C@@H]1CCN(Cc2cc(O)ccc2Br)C1 ZINC000134179656 366295062 /nfs/dbraw/zinc/29/50/62/366295062.db2.gz NPZGCWQWKDUIIO-LLVKDONJSA-N 1 0 299.212 2.291 10 0 CEAERO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1C[C@@H]1C)CC(C)C ZINC000076055910 363511909 /nfs/dbraw/zinc/51/19/09/363511909.db2.gz HBFFVFPSYYTMLW-MELADBBJSA-N 1 0 269.433 2.451 10 0 CEAERO C[C@H]1C[C@H]1NC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000076074385 363518099 /nfs/dbraw/zinc/51/80/99/363518099.db2.gz OMLQQEDXFNKJLQ-QWHCGFSZSA-N 1 0 297.468 2.056 10 0 CEAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC[NH+]1CCCCC1 ZINC000077264805 363546159 /nfs/dbraw/zinc/54/61/59/363546159.db2.gz PIEVESYZXHHKAL-JYJNAYRXSA-N 1 0 294.439 2.278 10 0 CEAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CCn1cc(Cl)cn1 ZINC000336322437 213166524 /nfs/dbraw/zinc/16/65/24/213166524.db2.gz ZRGAQLMXFBHGSK-TZMCWYRMSA-N 1 0 282.819 2.095 10 0 CEAERO Cc1nc2ccccc2nc1N1CCC(C[NH3+])CC1 ZINC000052099581 538874345 /nfs/dbraw/zinc/87/43/45/538874345.db2.gz AYLHULRBRJJGNN-UHFFFAOYSA-N 1 0 256.353 2.113 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)C1 ZINC000155451902 540296688 /nfs/dbraw/zinc/29/66/88/540296688.db2.gz UDQNDGYDISEXSJ-YPMHNXCESA-N 1 0 292.427 2.166 10 0 CEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCCC1CC1 ZINC000158536988 540388117 /nfs/dbraw/zinc/38/81/17/540388117.db2.gz WUQABPOBKXOJAQ-CQSZACIVSA-N 1 0 267.417 2.206 10 0 CEAERO [NH3+]CC[C@H](O)c1ccc(Cl)c(Br)c1 ZINC000137289059 540394777 /nfs/dbraw/zinc/39/47/77/540394777.db2.gz SVEVHNKTNKEGRW-VIFPVBQESA-N 1 0 264.550 2.485 10 0 CEAERO C[N@@H+]1CCCC12CCN(C(=O)c1cc(O)ccc1F)CC2 ZINC000336194232 213012150 /nfs/dbraw/zinc/01/21/50/213012150.db2.gz IVAQFAGKMRWZFY-UHFFFAOYSA-N 1 0 292.354 2.232 10 0 CEAERO COc1cc(OC)c(NC(=O)[C@@]2(C)CCC[NH2+]2)cc1Cl ZINC000079510456 363611181 /nfs/dbraw/zinc/61/11/81/363611181.db2.gz JOPYJZPSEGCPJT-CQSZACIVSA-N 1 0 298.770 2.438 10 0 CEAERO C[C@@]1(C(=O)N(Cc2cccc(F)c2)C2CC2)CCC[NH2+]1 ZINC000079517127 363612509 /nfs/dbraw/zinc/61/25/09/363612509.db2.gz LDSXPZHBXLCYJP-INIZCTEOSA-N 1 0 276.355 2.459 10 0 CEAERO CC1(C)C[NH+](C[C@@H]2CCC[C@H](O)C2)CC(C)(C)O1 ZINC000310772696 540410485 /nfs/dbraw/zinc/41/04/85/540410485.db2.gz DBQCQQIVSCCEQY-OLZOCXBDSA-N 1 0 255.402 2.427 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)NC[C@H](C)Sc1ccccc1 ZINC000236958679 370665445 /nfs/dbraw/zinc/66/54/45/370665445.db2.gz RAZXZDVMKLBYMO-WCQYABFASA-N 1 0 266.410 2.411 10 0 CEAERO Cc1ncsc1-c1cncc(C[C@@H]2CCC[NH2+]C2)n1 ZINC000685945688 540637098 /nfs/dbraw/zinc/63/70/98/540637098.db2.gz DNCWXSOFKWRUCN-NSHDSACASA-N 1 0 274.393 2.451 10 0 CEAERO CCCN1CC[C@H]([NH3+])[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000685952537 540646748 /nfs/dbraw/zinc/64/67/48/540646748.db2.gz AHNDTSKCLBINEH-BBRMVZONSA-N 1 0 297.443 2.199 10 0 CEAERO CC(C)[C@H]1CN(c2ncc3ccccc3n2)CC[NH2+]1 ZINC000141639395 366565730 /nfs/dbraw/zinc/56/57/30/366565730.db2.gz BBDWFBPXVYICMX-CQSZACIVSA-N 1 0 256.353 2.064 10 0 CEAERO C[C@H]1CCC[C@H](C)[NH+]1Cc1cc(Cl)nc(N)n1 ZINC000146828706 366574200 /nfs/dbraw/zinc/57/42/00/366574200.db2.gz BXWAOBOOZPBLET-IUCAKERBSA-N 1 0 254.765 2.475 10 0 CEAERO C[NH2+][C@H](CN1CCOCC1)c1cccc(Br)c1 ZINC000148359291 366581137 /nfs/dbraw/zinc/58/11/37/366581137.db2.gz LXCXBWNDTKQXOO-CYBMUJFWSA-N 1 0 299.212 2.042 10 0 CEAERO c1ccc(NC[C@H]2CCN(CC[NH+]3CCCCC3)C2)nc1 ZINC000151103613 366620919 /nfs/dbraw/zinc/62/09/19/366620919.db2.gz RNDJCPOKUDQKCH-MRXNPFEDSA-N 1 0 288.439 2.301 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Cc1cccc(F)c1 ZINC000176995426 189019023 /nfs/dbraw/zinc/01/90/23/189019023.db2.gz RYILRRDXGKHSMP-OAHLLOKOSA-N 1 0 278.371 2.311 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccncc1 ZINC000177024961 189022043 /nfs/dbraw/zinc/02/20/43/189022043.db2.gz BRPGNUYYMWYFPS-CYBMUJFWSA-N 1 0 262.357 2.030 10 0 CEAERO C[C@@H]1C[N@H+](CCCc2ccccc2)C[C@@H]1N1CCOCC1 ZINC000177222696 189037816 /nfs/dbraw/zinc/03/78/16/189037816.db2.gz XLMNYQQARNIUTH-AEFFLSMTSA-N 1 0 288.435 2.272 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1ccc2ccccc2n1 ZINC000038049267 283555652 /nfs/dbraw/zinc/55/56/52/283555652.db2.gz FJINWBSYQZLHGJ-OCCSQVGLSA-N 1 0 269.348 2.235 10 0 CEAERO CCC[C@@H](C(=O)NCCOc1ccccc1C)[NH+](C)C ZINC000178651228 189134607 /nfs/dbraw/zinc/13/46/07/189134607.db2.gz MIRSDDISCPFCLO-AWEZNQCLSA-N 1 0 278.396 2.220 10 0 CEAERO [NH3+][C@@H]1CC[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]12 ZINC000261585413 283600619 /nfs/dbraw/zinc/60/06/19/283600619.db2.gz IKQAJIBGCIPWTQ-INTQDDNPSA-N 1 0 271.286 2.274 10 0 CEAERO CC1(c2ccccc2)CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC000676234657 540907568 /nfs/dbraw/zinc/90/75/68/540907568.db2.gz IJUWQPVRKFCDHR-ISXOHVOVSA-N 1 0 272.392 2.365 10 0 CEAERO CC[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1cc(C)ccc1OC ZINC000180490863 189258046 /nfs/dbraw/zinc/25/80/46/189258046.db2.gz RKPLLEFTJSZURI-ZBFHGGJFSA-N 1 0 292.423 2.375 10 0 CEAERO COc1cc(C(=O)OC2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1O ZINC000000525904 361183121 /nfs/dbraw/zinc/18/31/21/361183121.db2.gz OZKTVDIYALBSMA-FUNVUKJBSA-N 1 0 291.347 2.183 10 0 biogenic,in-vitro CEAERO COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCOC2=O)cc1OC ZINC000180886493 189281968 /nfs/dbraw/zinc/28/19/68/189281968.db2.gz JXJMORUKOWSUHY-NEPJUHHUSA-N 1 0 293.363 2.308 10 0 CEAERO c1ccc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)nc1 ZINC000152482609 366698292 /nfs/dbraw/zinc/69/82/92/366698292.db2.gz HNOLASPVRFIAHE-HNNXBMFYSA-N 1 0 255.321 2.130 10 0 CEAERO CCc1ccnc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000181933488 189310312 /nfs/dbraw/zinc/31/03/12/189310312.db2.gz XEXZDVHSYUHSQR-SWLSCSKDSA-N 1 0 275.396 2.103 10 0 CEAERO COC(=O)c1ccccc1OCC[N@@H+]1CCS[C@@H](C)C1 ZINC000182130286 189314392 /nfs/dbraw/zinc/31/43/92/189314392.db2.gz LQEUNYNNUUNHJG-LBPRGKRZSA-N 1 0 295.404 2.289 10 0 CEAERO C[C@@H]1C[NH2+][C@@H](C)CN1c1ccc(Br)cn1 ZINC000083119012 363770066 /nfs/dbraw/zinc/77/00/66/363770066.db2.gz GCYJDLJCCUBCNI-DTWKUNHWSA-N 1 0 270.174 2.031 10 0 CEAERO CCC[C@@H]([NH3+])C(=O)NCc1ccc(Cl)cc1OCC ZINC000182702822 189332333 /nfs/dbraw/zinc/33/23/33/189332333.db2.gz QFJZJTYOVTVUMN-GFCCVEGCSA-N 1 0 284.787 2.482 10 0 CEAERO [NH3+][C@H]1CC[C@H](C(=O)NCC2(c3ccc(F)cc3)CCC2)C1 ZINC000154140746 366759548 /nfs/dbraw/zinc/75/95/48/366759548.db2.gz JZPZSJHQDWZVHP-WFASDCNBSA-N 1 0 290.382 2.491 10 0 CEAERO CC1CC[NH+](CCN2CC[C@H](Oc3cccnc3)C2)CC1 ZINC000154666367 366783944 /nfs/dbraw/zinc/78/39/44/366783944.db2.gz UMJKTYYWFFHRCX-KRWDZBQOSA-N 1 0 289.423 2.267 10 0 CEAERO Nc1nc(N2CCCCC2)nc(NC2CCCCC2)[nH+]1 ZINC000013800824 361442278 /nfs/dbraw/zinc/44/22/78/361442278.db2.gz OJIFMMPRAKIUDY-UHFFFAOYSA-N 1 0 276.388 2.189 10 0 CEAERO CC(C)[NH+](CC[C@H](C(N)=O)c1ccccn1)C(C)C ZINC000027523338 361654361 /nfs/dbraw/zinc/65/43/61/361654361.db2.gz HITWHTCUNLHAGE-ZDUSSCGKSA-N 1 0 263.385 2.159 10 0 CEAERO COc1cccc(OC(=O)c2ccc(NC(N)=[NH2+])cc2)c1 ZINC000027560846 361655203 /nfs/dbraw/zinc/65/52/03/361655203.db2.gz AZTUARIVGDJWKF-UHFFFAOYSA-N 1 0 285.303 2.220 10 0 CEAERO CC(C)c1nsc(N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000087642452 363865444 /nfs/dbraw/zinc/86/54/44/363865444.db2.gz JDADUTLIVMZRJV-ZACCUICWSA-N 1 0 266.414 2.381 10 0 CEAERO CC(C)COCCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085630812 363836173 /nfs/dbraw/zinc/83/61/73/363836173.db2.gz GYDOXVDNWJZBFI-MJBXVCDLSA-N 1 0 255.402 2.452 10 0 CEAERO CCN(CC)c1ncc(C[NH2+]C[C@H]2CCC[C@H]2O)s1 ZINC000089164335 363943694 /nfs/dbraw/zinc/94/36/94/363943694.db2.gz LXGMQICQCBLUEI-DGCLKSJQSA-N 1 0 283.441 2.240 10 0 CEAERO [NH3+]C[C@H]1CCCC[C@H]1Nc1nc(C2CC2)ns1 ZINC000089108956 363932252 /nfs/dbraw/zinc/93/22/52/363932252.db2.gz AYSPDSIVMPZSEY-NXEZZACHSA-N 1 0 252.387 2.345 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1Nc1nc(C2CC2)ns1 ZINC000089108953 363932380 /nfs/dbraw/zinc/93/23/80/363932380.db2.gz AYSPDSIVMPZSEY-UWVGGRQHSA-N 1 0 252.387 2.345 10 0 CEAERO C[C@H]([NH2+]CCN1C(=O)CCC1=O)c1cccc(Cl)c1 ZINC000089684875 363992538 /nfs/dbraw/zinc/99/25/38/363992538.db2.gz TVABDUCKMKOUQO-JTQLQIEISA-N 1 0 280.755 2.140 10 0 CEAERO Cc1cc(C(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)ccc1F ZINC000089710091 363994726 /nfs/dbraw/zinc/99/47/26/363994726.db2.gz IHBOZBFGMNBFDU-BXUZGUMPSA-N 1 0 264.344 2.156 10 0 CEAERO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1C[C@H](O)COC(C)(C)C ZINC000091080541 364068470 /nfs/dbraw/zinc/06/84/70/364068470.db2.gz ZRWOVEYSSDXVGG-KBPBESRZSA-N 1 0 295.427 2.339 10 0 CEAERO Cn1cccc1C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000092812921 364110050 /nfs/dbraw/zinc/11/00/50/364110050.db2.gz SPNMEBRKGWHBSV-CQSZACIVSA-N 1 0 270.380 2.354 10 0 CEAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCCC2(CC2)CC1 ZINC000638756970 370727872 /nfs/dbraw/zinc/72/78/72/370727872.db2.gz SCEGKOYISIWAFK-CHWSQXEVSA-N 1 0 250.386 2.167 10 0 CEAERO C[C@]12CCCC[C@H]1CN2C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000638758147 370728832 /nfs/dbraw/zinc/72/88/32/370728832.db2.gz UJRUIFRUVIVHEY-OSFYFWSMSA-N 1 0 250.386 2.153 10 0 CEAERO Cn1nc(CC(C)(C)C)cc1NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000237672975 370744333 /nfs/dbraw/zinc/74/43/33/370744333.db2.gz XSBVDDRBUMTNFI-WDEREUQCSA-N 1 0 278.400 2.075 10 0 CEAERO [NH3+][C@@H]1CC[C@H](C(=O)NCCc2ccccc2Cl)C1 ZINC000237996213 370765077 /nfs/dbraw/zinc/76/50/77/370765077.db2.gz YKGUISONJUOTAV-NWDGAFQWSA-N 1 0 266.772 2.126 10 0 CEAERO [NH3+]C[C@H]1CC[C@H](c2nc(Cc3ccccc3Cl)no2)O1 ZINC000094560936 364276806 /nfs/dbraw/zinc/27/68/06/364276806.db2.gz VVIVYIDXYLHNGN-ZYHUDNBSSA-N 1 0 293.754 2.493 10 0 CEAERO CCC[C@H](C(=O)Nc1ccc(C(=O)OC)c(C)c1)[NH+](C)C ZINC000094106449 364253472 /nfs/dbraw/zinc/25/34/72/364253472.db2.gz IEGZYFIQKGABIM-CQSZACIVSA-N 1 0 292.379 2.450 10 0 CEAERO O=C(NCc1ccc2ccccc2c1)[C@H]1CC[NH2+]C1 ZINC000238072637 370769822 /nfs/dbraw/zinc/76/98/22/370769822.db2.gz JCJYONRRJNLUKV-HNNXBMFYSA-N 1 0 254.333 2.066 10 0 CEAERO Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)c(F)c1 ZINC000094239548 364261606 /nfs/dbraw/zinc/26/16/06/364261606.db2.gz RXPBLONIFIDKMT-BXUZGUMPSA-N 1 0 264.344 2.156 10 0 CEAERO CCOc1nc2ccccc2nc1NCC1CC[NH2+]CC1 ZINC000095069722 364329734 /nfs/dbraw/zinc/32/97/34/364329734.db2.gz TURHPJQKZQSEQY-UHFFFAOYSA-N 1 0 286.379 2.440 10 0 CEAERO Clc1cnc(OCCC[C@H]2CCCC[NH2+]2)nc1 ZINC000095070062 364329874 /nfs/dbraw/zinc/32/98/74/364329874.db2.gz VLLOSNMGJLQDBU-LLVKDONJSA-N 1 0 255.749 2.431 10 0 CEAERO Cc1cnc(OCC[C@H]2CCCC[NH2+]2)nc1Cl ZINC000095069355 364329999 /nfs/dbraw/zinc/32/99/99/364329999.db2.gz UGSWATRYJXQZAM-SNVBAGLBSA-N 1 0 255.749 2.349 10 0 CEAERO CN(C[C@@H]1CCCC[NH2+]1)c1ccc(Br)cn1 ZINC000095070784 364330880 /nfs/dbraw/zinc/33/08/80/364330880.db2.gz JCJBJMQPNOJUHY-NSHDSACASA-N 1 0 284.201 2.422 10 0 CEAERO Clc1ccc(COCC[C@H]2CCCC[NH2+]2)nn1 ZINC000095070502 364331328 /nfs/dbraw/zinc/33/13/28/364331328.db2.gz IMBZTSIGFZYTSB-SNVBAGLBSA-N 1 0 255.749 2.179 10 0 CEAERO [NH3+]C[C@@H]1CCCCN1Cc1ccnc(Br)c1 ZINC000095072454 364332316 /nfs/dbraw/zinc/33/23/16/364332316.db2.gz BNACXNGMKZFSSN-NSHDSACASA-N 1 0 284.201 2.157 10 0 CEAERO Nc1nc2ccccc2nc1OCCCC1CC[NH2+]CC1 ZINC000095072202 364332412 /nfs/dbraw/zinc/33/24/12/364332412.db2.gz YTDHRNQEPQEZKU-UHFFFAOYSA-N 1 0 286.379 2.371 10 0 CEAERO O=C(COCCC[C@H]1CCCC[NH2+]1)c1ccccn1 ZINC000095072948 364332870 /nfs/dbraw/zinc/33/28/70/364332870.db2.gz GPORAOYIHXYFSV-CYBMUJFWSA-N 1 0 262.353 2.203 10 0 CEAERO CC[NH2+][C@H](CCO)[C@H]1CCCCN1Cc1ccccc1 ZINC000095091383 364337859 /nfs/dbraw/zinc/33/78/59/364337859.db2.gz NCKSHUQDCDWBCF-IAGOWNOFSA-N 1 0 276.424 2.402 10 0 CEAERO Cc1cc(Br)nc(C[NH3+])c1Br ZINC000156749874 366837197 /nfs/dbraw/zinc/83/71/97/366837197.db2.gz MHWVSPSGTYRNCR-UHFFFAOYSA-N 1 0 279.963 2.374 10 0 CEAERO CSCC[C@H](C)N(C)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000157130820 366840918 /nfs/dbraw/zinc/84/09/18/366840918.db2.gz KQGLFJRUAZBEHW-SRVKXCTJSA-N 1 0 258.431 2.104 10 0 CEAERO C[C@@H](c1ccc(F)cc1)N(C)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000104219147 364687024 /nfs/dbraw/zinc/68/70/24/364687024.db2.gz NJJARQQIHBIRJU-UHIISALHSA-N 1 0 264.344 2.201 10 0 CEAERO COC[C@H](C)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000103428395 364651705 /nfs/dbraw/zinc/65/17/05/364651705.db2.gz DEUVYHNGZTVMCP-QWHCGFSZSA-N 1 0 296.436 2.284 10 0 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CEAERO CC(C)C1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000161268670 367073571 /nfs/dbraw/zinc/07/35/71/367073571.db2.gz IQRXCFDFIYJURH-UONOGXRCSA-N 1 0 252.402 2.399 10 0 CEAERO CCC[C@H](C(=O)NCCOc1cccc(F)c1)[NH+](C)C ZINC000161552934 367096411 /nfs/dbraw/zinc/09/64/11/367096411.db2.gz SZMJGJJZYWMGDM-CQSZACIVSA-N 1 0 282.359 2.051 10 0 CEAERO C[C@@H](O)c1ccc2c(c1)[C@@](C)(CC[NH+](C)C)CN2C ZINC000584619120 367173961 /nfs/dbraw/zinc/17/39/61/367173961.db2.gz DZSBARFFOHIDGH-WBMJQRKESA-N 1 0 262.397 2.399 10 0 CEAERO COc1ccc(-n2nccc2C2CC[NH2+]CC2)c(F)c1 ZINC000584649039 367175445 /nfs/dbraw/zinc/17/54/45/367175445.db2.gz WNNAAJANGPAAKA-UHFFFAOYSA-N 1 0 275.327 2.487 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CC=CCC1 ZINC000245431841 370818967 /nfs/dbraw/zinc/81/89/67/370818967.db2.gz NMNJIHVVXCKNOB-ZIAGYGMSSA-N 1 0 250.386 2.285 10 0 CEAERO C[C@H]1CN(C(=O)c2cc3c(s2)CCCC3)C[C@H]1C[NH3+] ZINC000638885602 370819274 /nfs/dbraw/zinc/81/92/74/370819274.db2.gz OTYOWOWGTLLVPB-CMPLNLGQSA-N 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ZINC000171080209 367472450 /nfs/dbraw/zinc/47/24/50/367472450.db2.gz BRUYYBKZXKPWTC-JTQLQIEISA-N 1 0 299.321 2.141 10 0 CEAERO CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170837055 367429982 /nfs/dbraw/zinc/42/99/82/367429982.db2.gz ZCKLCBJOOAFSCS-CVEARBPZSA-N 1 0 289.423 2.353 10 0 CEAERO COc1ccc(CCCC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000170864259 367434246 /nfs/dbraw/zinc/43/42/46/367434246.db2.gz DOBFQDSYAXGUPI-OAHLLOKOSA-N 1 0 290.407 2.180 10 0 CEAERO C[C@H]1C[N@H+](C[C@H](O)COCc2cccs2)CCS1 ZINC000170901516 367443810 /nfs/dbraw/zinc/44/38/10/367443810.db2.gz DWXPWKDXTRELHY-RYUDHWBXSA-N 1 0 287.450 2.063 10 0 CEAERO C[C@@H](C(=O)NCCc1cccs1)N1CCS[C@@H](C)C1 ZINC000170901706 367443948 /nfs/dbraw/zinc/44/39/48/367443948.db2.gz BBOVGJOPOFNRFW-RYUDHWBXSA-N 1 0 298.477 2.233 10 0 CEAERO Cc1cc(Cl)ccc1NC(=O)CN1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631843629 367585971 /nfs/dbraw/zinc/58/59/71/367585971.db2.gz QRZYJFMJCHEKDY-NWDGAFQWSA-N 1 0 295.814 2.114 10 0 CEAERO Cc1ncc(CN2CC[N@@H+]3CCC[C@H]3C2)n1-c1ccccc1 ZINC000245753643 370870460 /nfs/dbraw/zinc/87/04/60/370870460.db2.gz OHIYQHQKSNGWRO-KRWDZBQOSA-N 1 0 296.418 2.461 10 0 CEAERO Cc1ncsc1CC[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000172545147 367772182 /nfs/dbraw/zinc/77/21/82/367772182.db2.gz CXAJLCKMYSVVGY-GFCCVEGCSA-N 1 0 276.409 2.217 10 0 CEAERO CCC[C@H](C(=O)N1CC[C@@H](C)[C@@H](n2ccnc2)C1)[NH+](C)C ZINC000245764831 370871794 /nfs/dbraw/zinc/87/17/94/370871794.db2.gz JECRMHBTFHISPL-KFWWJZLASA-N 1 0 292.427 2.023 10 0 CEAERO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000245956199 370893144 /nfs/dbraw/zinc/89/31/44/370893144.db2.gz CCIHDVSCKCEKKP-MJBXVCDLSA-N 1 0 270.417 2.181 10 0 CEAERO CC(C)c1noc([C@H](C)N2CC[N@@H+]3CCCC[C@@H]3C2)n1 ZINC000172800787 367822251 /nfs/dbraw/zinc/82/22/51/367822251.db2.gz WISFBVLSMMSKQM-QWHCGFSZSA-N 1 0 278.400 2.424 10 0 CEAERO CCc1nc(C2(NCC[NH+]3CCCCC3)CCCC2)no1 ZINC000173693753 367934569 /nfs/dbraw/zinc/93/45/69/367934569.db2.gz 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371414161 /nfs/dbraw/zinc/41/41/61/371414161.db2.gz JBFFCFNERCOWRT-OCCSQVGLSA-N 1 0 277.387 2.467 10 0 CEAERO COC[C@H](C)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000249983714 371374541 /nfs/dbraw/zinc/37/45/41/371374541.db2.gz YVXCKWJKZBNVLI-KGLIPLIRSA-N 1 0 263.385 2.098 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc(F)c1N ZINC000251940925 371425434 /nfs/dbraw/zinc/42/54/34/371425434.db2.gz ZPGXJLDRFQXQIS-AAEUAGOBSA-N 1 0 263.360 2.076 10 0 CEAERO O[C@@H](CN1CC[N@@H+]2CCCC[C@H]2C1)c1ccccc1F ZINC000252649062 371460617 /nfs/dbraw/zinc/46/06/17/371460617.db2.gz OFXMXFHXCXUVOI-BBRMVZONSA-N 1 0 278.371 2.029 10 0 CEAERO Cc1occc1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000252663394 371463644 /nfs/dbraw/zinc/46/36/44/371463644.db2.gz FSLKTTGCVYYYEN-MFKMUULPSA-N 1 0 250.342 2.047 10 0 CEAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)Cc1ccccc1O ZINC000252662263 371463873 /nfs/dbraw/zinc/46/38/73/371463873.db2.gz WXGLXVLPLKTVAK-ZFWWWQNUSA-N 1 0 288.391 2.020 10 0 CEAERO CCc1cc(CC)nc(N(C)CC(C)(C)C[NH3+])n1 ZINC000261586139 371664171 /nfs/dbraw/zinc/66/41/71/371664171.db2.gz UDJVOLSOGONNQG-UHFFFAOYSA-N 1 0 250.390 2.023 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(Cc3cc(F)c(F)cc3F)C[C@H]12 ZINC000261604431 371673617 /nfs/dbraw/zinc/67/36/17/371673617.db2.gz RAYGIDXKDIPQQK-IPURGOFSSA-N 1 0 270.298 2.273 10 0 CEAERO Cc1csc2c1ncnc2N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261609936 371676855 /nfs/dbraw/zinc/67/68/55/371676855.db2.gz SDOVFRMFSNBWQU-GARJFASQSA-N 1 0 274.393 2.173 10 0 CEAERO CC(C)(C)OC(=O)N1CCC2(CC1)[NH2+]CCC2(F)F ZINC000259455126 371624658 /nfs/dbraw/zinc/62/46/58/371624658.db2.gz QLFVPJSRZDMIMF-UHFFFAOYSA-N 1 0 276.327 2.385 10 0 CEAERO CCC[C@@H]1C[C@@H]1NC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000261556632 371645842 /nfs/dbraw/zinc/64/58/42/371645842.db2.gz CBVPZJCUCFVXFQ-DGAVXFQQSA-N 1 0 252.402 2.317 10 0 CEAERO CCCN(C[C@@H]1CCC[NH2+]C1)[C@H](CC)C(=O)OCC ZINC000261574778 371657303 /nfs/dbraw/zinc/65/73/03/371657303.db2.gz XVAPZIVIBMHUKH-ZIAGYGMSSA-N 1 0 270.417 2.040 10 0 CEAERO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(F)c(F)c3)C[C@H]12 ZINC000261584437 371662346 /nfs/dbraw/zinc/66/23/46/371662346.db2.gz SFORLBIIKMLYOC-UHIISALHSA-N 1 0 252.308 2.134 10 0 CEAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)CCC1CCOCC1 ZINC000261719255 371710193 /nfs/dbraw/zinc/71/01/93/371710193.db2.gz WIYAOFJBGGTZQQ-KWOWKCNFSA-N 1 0 294.439 2.215 10 0 CEAERO C[C@@H]1CN(Cc2ccc(Oc3cnccn3)cc2)C[C@@H]1[NH3+] ZINC000261690686 371703555 /nfs/dbraw/zinc/70/35/55/371703555.db2.gz AWBJUOBOLAYDLW-DOMZBBRYSA-N 1 0 284.363 2.048 10 0 CEAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccc2c(c1)CCN2 ZINC000261830760 371746302 /nfs/dbraw/zinc/74/63/02/371746302.db2.gz BFXNBKBASCBBAT-CJNGLKHVSA-N 1 0 299.418 2.353 10 0 CEAERO C[C@H]1CN(Cc2ccc(OCc3ccncc3)cc2)C[C@@H]1[NH3+] ZINC000261920024 371771018 /nfs/dbraw/zinc/77/10/18/371771018.db2.gz BMOKOTHASADRJT-KSSFIOAISA-N 1 0 297.402 2.440 10 0 CEAERO C[C@H]1CN(Cc2ccc(OCC(F)(F)F)cc2)C[C@@H]1[NH3+] ZINC000261931331 371775710 /nfs/dbraw/zinc/77/57/10/371775710.db2.gz CTSHTEHSSWAHJB-GWCFXTLKSA-N 1 0 288.313 2.407 10 0 CEAERO CC(C)Cn1cc(N[C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cn1 ZINC000261952285 371782672 /nfs/dbraw/zinc/78/26/72/371782672.db2.gz ONKNBQRYRAUISI-BZUAXINKSA-N 1 0 292.427 2.108 10 0 CEAERO COc1ccc(CN2C[C@H]([NH3+])[C@@H](C)C2)c(Cl)c1 ZINC000262148154 371831230 /nfs/dbraw/zinc/83/12/30/371831230.db2.gz ZPPVZOBMBFZVEW-ZANVPECISA-N 1 0 254.761 2.128 10 0 CEAERO COc1cc(CN2C[C@H]([NH3+])[C@@H](C)C2)ccc1OC(C)C ZINC000262002475 371797310 /nfs/dbraw/zinc/79/73/10/371797310.db2.gz LMGLJKSMISZYOK-JSGCOSHPSA-N 1 0 278.396 2.261 10 0 CEAERO C[C@]1(C[NH3+])CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000262010172 371798839 /nfs/dbraw/zinc/79/88/39/371798839.db2.gz OBGBUBYIVATEFW-XHBSWPGZSA-N 1 0 294.345 2.266 10 0 CEAERO Cc1nn(-c2ccccc2)c(C)c1CN1C[C@H](C)[C@H]([NH3+])C1 ZINC000262048375 371813207 /nfs/dbraw/zinc/81/32/07/371813207.db2.gz QAAUTUQZHOSCGA-YVEFUNNKSA-N 1 0 284.407 2.268 10 0 CEAERO COC[C@@H]([NH3+])C(=O)N[C@@H](CC1CCC1)c1ccccc1 ZINC000262067961 371817313 /nfs/dbraw/zinc/81/73/13/371817313.db2.gz OTLRTTKOKJEETP-CABCVRRESA-N 1 0 276.380 2.008 10 0 CEAERO CSc1ccc(CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000237320434 189872436 /nfs/dbraw/zinc/87/24/36/189872436.db2.gz UEAQNLHRQNRUDV-NEPJUHHUSA-N 1 0 264.394 2.152 10 0 CEAERO C[C@H](CC1CCCC1)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000262571772 371877179 /nfs/dbraw/zinc/87/71/79/371877179.db2.gz HMWJWNHRQMYSJY-XBFCOCLRSA-N 1 0 252.402 2.446 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)C1 ZINC000263530549 371941020 /nfs/dbraw/zinc/94/10/20/371941020.db2.gz WGHHQDCKIIWHEA-WMUDQEJXSA-N 1 0 282.428 2.338 10 0 CEAERO Cc1cccc(CSCC(=O)N[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000237643645 189885489 /nfs/dbraw/zinc/88/54/89/189885489.db2.gz KREWMIMRJWWSGZ-LSDHHAIUSA-N 1 0 292.448 2.472 10 0 CEAERO O=C(N[C@H]1CCC[NH2+]C1)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000237883094 189892113 /nfs/dbraw/zinc/89/21/13/189892113.db2.gz HWZVAQWKEHFNGP-MJBXVCDLSA-N 1 0 278.783 2.312 10 0 CEAERO COCCC1(C(=O)N(C)Cc2ccccc2)CC[NH2+]CC1 ZINC000643613875 373221441 /nfs/dbraw/zinc/22/14/41/373221441.db2.gz FOWKHESIMWFHEC-UHFFFAOYSA-N 1 0 290.407 2.051 10 0 CEAERO COC[C@]1(C(=O)Nc2ccc(SC)cc2)CCC[NH2+]1 ZINC000643623219 373225155 /nfs/dbraw/zinc/22/51/55/373225155.db2.gz JNIJZRBGBSMPJN-AWEZNQCLSA-N 1 0 280.393 2.116 10 0 CEAERO CC[C@@H](NC(=O)[C@H]1C[NH2+]CCOC1)c1ccc(Cl)cc1 ZINC000643625869 373225255 /nfs/dbraw/zinc/22/52/55/373225255.db2.gz SYKARECRPLIEJP-GXTWGEPZSA-N 1 0 296.798 2.143 10 0 CEAERO COCCC1(C(=O)N2CCCC[C@H](C)C2)CC[NH2+]CC1 ZINC000643793928 373268030 /nfs/dbraw/zinc/26/80/30/373268030.db2.gz KRTABCBBTQXABM-AWEZNQCLSA-N 1 0 282.428 2.041 10 0 CEAERO Cc1ccc(CCC(=O)NC[C@@H]2CC[NH2+]C2)cc1Cl ZINC000644108980 373412679 /nfs/dbraw/zinc/41/26/79/373412679.db2.gz QAJDWWCVQKIMLI-CYBMUJFWSA-N 1 0 280.799 2.307 10 0 CEAERO OC1(C[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)C2)CCOCC1 ZINC000644586003 373544875 /nfs/dbraw/zinc/54/48/75/373544875.db2.gz VIZMUISPDWXXAN-NEPJUHHUSA-N 1 0 295.345 2.486 10 0 CEAERO COc1cccc([C@H](C)C(=O)N[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000246555343 189929984 /nfs/dbraw/zinc/92/99/84/189929984.db2.gz UDLWGFKEISWFPF-CORIIIEPSA-N 1 0 276.380 2.042 10 0 CEAERO CCC1(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)CCOCC1 ZINC000334192669 206172716 /nfs/dbraw/zinc/17/27/16/206172716.db2.gz IVDWCCHCGIAPNP-UONOGXRCSA-N 1 0 285.453 2.400 10 0 CEAERO CCn1nc(C)c([C@@H](C)[NH2+]CC2([S@@](C)=O)CC2)c1C ZINC000380188145 375160257 /nfs/dbraw/zinc/16/02/57/375160257.db2.gz VIIYLKXEWQKHIV-GIGQVBGESA-N 1 0 283.441 2.082 10 0 CEAERO [NH3+]CC[C@@H](Nc1ccc(Br)cn1)C(F)F ZINC000383470484 375202561 /nfs/dbraw/zinc/20/25/61/375202561.db2.gz LYIOVVZXYJWVFG-SSDOTTSWSA-N 1 0 280.116 2.239 10 0 CEAERO CCN1CC[C@H]([NH2+]Cc2cc3ccccc3[nH]c2=O)C1 ZINC000389262490 375301735 /nfs/dbraw/zinc/30/17/35/375301735.db2.gz OZMGVQHFDHRZEI-AWEZNQCLSA-N 1 0 271.364 2.124 10 0 CEAERO C[C@H]([NH2+]C1CCN(CCO)CC1)[C@H]1CC2CCC1CC2 ZINC000399011472 375355076 /nfs/dbraw/zinc/35/50/76/375355076.db2.gz BIKDPAYSRHGZBS-PBMMVSLJSA-N 1 0 280.456 2.248 10 0 CEAERO Cc1scc(CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)c1C ZINC000399818773 375369370 /nfs/dbraw/zinc/36/93/70/375369370.db2.gz NZWQSLDHSCZIIR-WCQYABFASA-N 1 0 266.410 2.499 10 0 CEAERO Cc1scc(CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)c1C ZINC000399818770 375369401 /nfs/dbraw/zinc/36/94/01/375369401.db2.gz NZWQSLDHSCZIIR-AAEUAGOBSA-N 1 0 266.410 2.499 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)c1ccc(F)c(F)c1 ZINC000282500705 375499569 /nfs/dbraw/zinc/49/95/69/375499569.db2.gz WRFVKEBOJVJWFT-MWODSPESSA-N 1 0 268.307 2.283 10 0 CEAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000282500672 375500354 /nfs/dbraw/zinc/50/03/54/375500354.db2.gz YEKXTYITHIXHPO-GALLPEHLSA-N 1 0 258.365 2.189 10 0 CEAERO C=Cn1cc(C[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)cn1 ZINC000282850166 375594303 /nfs/dbraw/zinc/59/43/03/375594303.db2.gz PMYNWMPBYOXSHX-LBPRGKRZSA-N 1 0 294.399 2.329 10 0 CEAERO C[C@H]([NH3+])[C@@H]1C[C@@H]1c1ncc(I)s1 ZINC000306716162 376553910 /nfs/dbraw/zinc/55/39/10/376553910.db2.gz AWTKKKZTOYTLCV-ZLUOBGJFSA-N 1 0 294.161 2.198 10 0 CEAERO Cc1nc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(=O)[nH]1 ZINC000307223870 376560671 /nfs/dbraw/zinc/56/06/71/376560671.db2.gz KIEGKPJNDHMHOM-CQSZACIVSA-N 1 0 284.363 2.177 10 0 CEAERO CN(C)C(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000309739573 376603264 /nfs/dbraw/zinc/60/32/64/376603264.db2.gz VJHUKJRKNUDAQZ-ARFHVFGLSA-N 1 0 287.407 2.168 10 0 CEAERO CC[C@@H]1CN2CCC[C@@H]2C[N@@H+]1C[C@@](C)(CC)OC ZINC000322741884 376830618 /nfs/dbraw/zinc/83/06/18/376830618.db2.gz YQILBVPGJJVFEZ-RBSFLKMASA-N 1 0 254.418 2.360 10 0 CEAERO CC[C@](C)(C[N@@H+]1C[C@H]2CCCCN2C[C@@H]1C)OC ZINC000323261407 376835379 /nfs/dbraw/zinc/83/53/79/376835379.db2.gz WVLOUHADPUXPIA-RRFJBIMHSA-N 1 0 254.418 2.360 10 0 CEAERO CC(C)(C)C(=O)N1CC[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000616568412 542153907 /nfs/dbraw/zinc/15/39/07/542153907.db2.gz BGSDXWJDYIRNAV-UONOGXRCSA-N 1 0 260.381 2.376 10 0 CEAERO CC(C)c1ccccc1OCC(=O)NCC[C@@H](C)[NH3+] ZINC000564947303 377512439 /nfs/dbraw/zinc/51/24/39/377512439.db2.gz JCFDYHURYMBASK-GFCCVEGCSA-N 1 0 264.369 2.042 10 0 CEAERO Cn1c2ccccc2nc1N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000312855197 249375892 /nfs/dbraw/zinc/37/58/92/249375892.db2.gz QZVMJSHBUFZVOF-BETUJISGSA-N 1 0 270.380 2.009 10 0 CEAERO C[C@H]([NH2+]C[C@H]1CCO[C@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000300595730 379176840 /nfs/dbraw/zinc/17/68/40/379176840.db2.gz HGGBUFURTZREAR-SGMGOOAPSA-N 1 0 297.420 2.166 10 0 CEAERO Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000180857829 542267265 /nfs/dbraw/zinc/26/72/65/542267265.db2.gz SHOIJZOGGNENGM-CMPLNLGQSA-N 1 0 288.399 2.099 10 0 CEAERO Cc1n[nH]cc1[C@@H](C)[NH2+][C@H]1CCc2nnc(C(C)C)n2C1 ZINC000181090491 542270955 /nfs/dbraw/zinc/27/09/55/542270955.db2.gz QZOLQKRYDCAPNL-PWSUYJOCSA-N 1 0 288.399 2.099 10 0 CEAERO CCO[C@H]1C[C@@H]([NH2+]CCC2CC2)C12CCOCC2 ZINC000186415298 270250367 /nfs/dbraw/zinc/25/03/67/270250367.db2.gz CXQXKZXWVOZJNL-KGLIPLIRSA-N 1 0 253.386 2.350 10 0 CEAERO C[C@H]([NH2+]CC(=O)N(C)CC1CC1)c1ccc(F)c(F)c1 ZINC000181625697 542274699 /nfs/dbraw/zinc/27/46/99/542274699.db2.gz VSMZPRPGWGOHAX-JTQLQIEISA-N 1 0 282.334 2.484 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)/C=C\c1scnc1C ZINC000492737067 380672358 /nfs/dbraw/zinc/67/23/58/380672358.db2.gz CNAPEVOKAIDWEJ-MEJMFZKBSA-N 1 0 293.436 2.407 10 0 CEAERO CC1(C)CN(C(=O)Nc2ccc3c(c2)CCO3)CC[C@H]1[NH3+] ZINC000334859357 207202245 /nfs/dbraw/zinc/20/22/45/207202245.db2.gz IOCQUUUAWVYWAV-CQSZACIVSA-N 1 0 289.379 2.213 10 0 CEAERO Cc1cc(C)nc(NC(=O)N2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000334874123 207223569 /nfs/dbraw/zinc/22/35/69/207223569.db2.gz WZOSASSRPJGKGX-LBPRGKRZSA-N 1 0 276.384 2.290 10 0 CEAERO Cc1ccccc1[C@H](C)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000289305992 197291444 /nfs/dbraw/zinc/29/14/44/197291444.db2.gz DJHLNOSUGWBOJZ-DZGCQCFKSA-N 1 0 262.397 2.101 10 0 CEAERO C[C@H](CS(C)(=O)=O)[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000183258124 542290117 /nfs/dbraw/zinc/29/01/17/542290117.db2.gz NVQAQUUAJKVMNP-QMTHXVAHSA-N 1 0 285.384 2.226 10 0 CEAERO C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000188950126 542325207 /nfs/dbraw/zinc/32/52/07/542325207.db2.gz IAQLORQBNPOMDE-XJKSGUPXSA-N 1 0 294.439 2.325 10 0 CEAERO C[C@H]1OCCC[C@@H]1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000188950145 542325477 /nfs/dbraw/zinc/32/54/77/542325477.db2.gz IAQLORQBNPOMDE-CJNGLKHVSA-N 1 0 294.439 2.325 10 0 CEAERO C[NH2+][C@@H](C)c1ccc(SC[C@@H](O)COC)cc1 ZINC000079580095 184593991 /nfs/dbraw/zinc/59/39/91/184593991.db2.gz CFBIHVQDCJQMOC-JQWIXIFHSA-N 1 0 255.383 2.066 10 0 CEAERO CCNC(=O)NC(=O)[C@H](C)Sc1ccc([C@@H](C)[NH3+])cc1 ZINC000079577220 184594260 /nfs/dbraw/zinc/59/42/60/184594260.db2.gz KOJVARLKSDWQLH-ZJUUUORDSA-N 1 0 295.408 2.033 10 0 CEAERO Cc1nnc(CSc2ccc([C@H](C)[NH3+])cc2)n1C ZINC000079577263 184594284 /nfs/dbraw/zinc/59/42/84/184594284.db2.gz QGQZKDNIDKJZGD-VIFPVBQESA-N 1 0 262.382 2.436 10 0 CEAERO C[C@@H]([NH3+])c1ccc(S[C@H](C)C(=O)N(C)C)cc1 ZINC000079576900 184594344 /nfs/dbraw/zinc/59/43/44/184594344.db2.gz LUGGDRRMQBTUGQ-NXEZZACHSA-N 1 0 252.383 2.275 10 0 CEAERO CCC[NH2+][C@H](C)c1ccc(SCC(N)=O)cc1 ZINC000079582330 184594807 /nfs/dbraw/zinc/59/48/07/184594807.db2.gz QWJMWXRMDAJPNU-SNVBAGLBSA-N 1 0 252.383 2.325 10 0 CEAERO COc1cccc(S[C@@H]2CC3(CC[C@@H]2[NH3+])OCCO3)c1 ZINC000081858277 184597888 /nfs/dbraw/zinc/59/78/88/184597888.db2.gz XNMMATCVUZJDDY-UONOGXRCSA-N 1 0 295.404 2.410 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1Sc1nnc2n1CCCCC2 ZINC000081865718 184598453 /nfs/dbraw/zinc/59/84/53/184598453.db2.gz FSOOAIGJEBMCEZ-MNOVXSKESA-N 1 0 266.414 2.367 10 0 CEAERO [NH3+]C[C@@]1(OCc2ccc3ccccc3n2)CCCOC1 ZINC000086722524 184610633 /nfs/dbraw/zinc/61/06/33/184610633.db2.gz YBQJGQQQIDSGNE-INIZCTEOSA-N 1 0 272.348 2.259 10 0 CEAERO CCN(C)S(=O)(=O)c1cc(C[NH2+]C(C)C)cc(C)c1C ZINC000088940134 184614322 /nfs/dbraw/zinc/61/43/22/184614322.db2.gz WKPDUUNXOJNRKY-UHFFFAOYSA-N 1 0 298.452 2.442 10 0 CEAERO CC[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000088921522 184614396 /nfs/dbraw/zinc/61/43/96/184614396.db2.gz KMJFAIFTWZZGGX-UHFFFAOYSA-N 1 0 296.436 2.013 10 0 CEAERO CCC[NH2+]Cc1cc(S(=O)(=O)N(C)CC)c(C)s1 ZINC000088940550 184614532 /nfs/dbraw/zinc/61/45/32/184614532.db2.gz YHKVRYLKCGRHNS-UHFFFAOYSA-N 1 0 290.454 2.197 10 0 CEAERO O=C(OCC1CCCC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000090809380 184618202 /nfs/dbraw/zinc/61/82/02/184618202.db2.gz YHCJVBZFSUBFQX-NSHDSACASA-N 1 0 265.275 2.262 10 0 CEAERO CC[NH2+]C[C@](C)(O)COc1cc(C)cc(C)c1C ZINC000090823616 184618400 /nfs/dbraw/zinc/61/84/00/184618400.db2.gz ZUUCQDPEDUHIMU-HNNXBMFYSA-N 1 0 251.370 2.351 10 0 CEAERO CC1(C)C([NH2+][C@H]2CC(=O)N(c3ccccc3)C2=O)C1(C)C ZINC000092816256 184627929 /nfs/dbraw/zinc/62/79/29/184627929.db2.gz VSYZNGSPEHXPDC-LBPRGKRZSA-N 1 0 286.375 2.343 10 0 CEAERO CC[NH2+][C@@H]1c2cc(OC)ccc2C[C@@H]1N1CCCC1 ZINC000092838355 184631189 /nfs/dbraw/zinc/63/11/89/184631189.db2.gz LVLJYRFZBKHGOO-JKSUJKDBSA-N 1 0 260.381 2.366 10 0 CEAERO COc1cc([C@H]2CC[NH2+]C[C@@H]2C)cc(OC)c1OC ZINC000092691579 184621593 /nfs/dbraw/zinc/62/15/93/184621593.db2.gz MJDRKVAZLSPCGJ-JQWIXIFHSA-N 1 0 265.353 2.425 10 0 CEAERO O=C(Nc1ccccc1F)OC[C@H]1CCC[NH2+]C1 ZINC000092742764 184624229 /nfs/dbraw/zinc/62/42/29/184624229.db2.gz KBUJJIYRPVPAND-JTQLQIEISA-N 1 0 252.289 2.374 10 0 CEAERO CCN(CC(C)(C)O)c1ccc(C(N)=[NH2+])cc1Cl ZINC000092967843 184638853 /nfs/dbraw/zinc/63/88/53/184638853.db2.gz LTSUSQKWUFFYSQ-UHFFFAOYSA-N 1 0 269.776 2.221 10 0 CEAERO CCN(CC(C)(C)O)C(=O)Nc1cccc([C@@H](C)[NH3+])c1 ZINC000092985564 184641065 /nfs/dbraw/zinc/64/10/65/184641065.db2.gz ULHCLKKZKXXVRY-LLVKDONJSA-N 1 0 279.384 2.331 10 0 CEAERO COc1ccc2c(c1)[C@H]([NH2+]CCCC(=O)NC1CC1)CC2 ZINC000092987334 184641183 /nfs/dbraw/zinc/64/11/83/184641183.db2.gz MONZUXAWBAKQSC-MRXNPFEDSA-N 1 0 288.391 2.331 10 0 CEAERO CC(C)C[NH2+]C[C@H]1CCCO[C@H]1c1cnn(C)c1 ZINC000092888167 184633548 /nfs/dbraw/zinc/63/35/48/184633548.db2.gz HOSPTEFHJXBAJJ-TZMCWYRMSA-N 1 0 251.374 2.133 10 0 CEAERO COCC[NH2+]C[C@@H]1CCO[C@@H]1c1cc(F)ccc1F ZINC000092881695 184633639 /nfs/dbraw/zinc/63/36/39/184633639.db2.gz PKUONJYYLPSIEB-HZMBPMFUSA-N 1 0 271.307 2.278 10 0 CEAERO CC[NH2+]C[C@H](CCS(C)(=O)=O)c1ccccc1C ZINC000093104635 184649228 /nfs/dbraw/zinc/64/92/28/184649228.db2.gz RICMXWGFVLPNDA-ZDUSSCGKSA-N 1 0 269.410 2.123 10 0 CEAERO C[NH2+]C[C@@H](Cc1cc(C)nn1C)c1ccc(F)cc1 ZINC000093149306 184652098 /nfs/dbraw/zinc/65/20/98/184652098.db2.gz GVYSQYBXEQOKAA-CYBMUJFWSA-N 1 0 261.344 2.413 10 0 CEAERO CCC[NH2+]C[C@H](c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000093177400 184653491 /nfs/dbraw/zinc/65/34/91/184653491.db2.gz SBZDNSRAYKJCRR-OCCSQVGLSA-N 1 0 299.411 2.344 10 0 CEAERO C[C@H](NC(=O)C1(C)C[NH2+]C1)c1ccc(Cl)cc1 ZINC000335228258 207976137 /nfs/dbraw/zinc/97/61/37/207976137.db2.gz TZVPGCAOLTZKHQ-VIFPVBQESA-N 1 0 252.745 2.127 10 0 CEAERO C[C@@H]1CN(C(=O)Nc2ccc(Br)cc2)C[C@@H]1[NH3+] ZINC000335262607 208052360 /nfs/dbraw/zinc/05/23/60/208052360.db2.gz IPLSUMOZTQPXLU-KCJUWKMLSA-N 1 0 298.184 2.260 10 0 CEAERO O=c1ccc2c([nH]1)CC[C@@H]([NH2+]Cc1ccc(F)cc1)C2 ZINC000096067515 285222462 /nfs/dbraw/zinc/22/24/62/285222462.db2.gz ZLUAPSHEKUJMFE-CQSZACIVSA-N 1 0 272.323 2.161 10 0 CEAERO C[C@@]1(c2cccc(O)c2)CNC(=[NH2+])N1Cc1ccccc1 ZINC000093357148 184666450 /nfs/dbraw/zinc/66/64/50/184666450.db2.gz IDIRIPLKEAVEEM-KRWDZBQOSA-N 1 0 281.359 2.438 10 0 CEAERO C[C@]1(c2cccc(OC(F)F)c2)CNC(=[NH2+])N1C1CC1 ZINC000093373533 184668241 /nfs/dbraw/zinc/66/82/41/184668241.db2.gz HMNSXVSPPILNNP-CQSZACIVSA-N 1 0 281.306 2.296 10 0 CEAERO CC1(C)CCC[C@]2(C[NH+]=C(N)N2C[C@@H]2CCCO2)C1 ZINC000093378127 184668476 /nfs/dbraw/zinc/66/84/76/184668476.db2.gz KMSFCNXQRSDJIL-SWLSCSKDSA-N 1 0 265.401 2.135 10 0 CEAERO Cc1ccccc1N1C(=[NH2+])NC[C@]12CCO[C@H](C)C2 ZINC000093377522 184668590 /nfs/dbraw/zinc/66/85/90/184668590.db2.gz RDETZHKGOJKUJH-IUODEOHRSA-N 1 0 259.353 2.067 10 0 CEAERO C[C@]1(c2cccc(Cl)c2)CNC(=[NH2+])N1C[C@@H]1CCCO1 ZINC000093377999 184668837 /nfs/dbraw/zinc/66/88/37/184668837.db2.gz MHOBUDUPAZTCCP-DZGCQCFKSA-N 1 0 293.798 2.365 10 0 CEAERO C[C@H]1C[C@]2(C[NH+]=C(N)N2c2cccc(Cl)c2)CCO1 ZINC000093379176 184669004 /nfs/dbraw/zinc/66/90/04/184669004.db2.gz QJHDZALUMPELKF-HZMBPMFUSA-N 1 0 279.771 2.412 10 0 CEAERO Cc1n[nH]c(C)c1[C@H]1CNC(=[NH2+])N1c1ccccc1 ZINC000093382060 184669476 /nfs/dbraw/zinc/66/94/76/184669476.db2.gz VUYMZMSQRILVCD-GFCCVEGCSA-N 1 0 255.325 2.112 10 0 CEAERO CNC(=O)c1ccc(N[C@@H](C)C[C@H]2CCC[NH2+]2)c(C)c1 ZINC000093464619 184678686 /nfs/dbraw/zinc/67/86/86/184678686.db2.gz FFLPSOJOGNPUGB-GXTWGEPZSA-N 1 0 275.396 2.297 10 0 CEAERO COC(=O)c1ccc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000281421681 195233190 /nfs/dbraw/zinc/23/31/90/195233190.db2.gz YYDXJBGQOUWZMJ-ZSBIGDGJSA-N 1 0 281.352 2.359 10 0 CEAERO C[NH2+][C@@H](C)[C@@H](C)S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000081946399 177907675 /nfs/dbraw/zinc/90/76/75/177907675.db2.gz MDQIBJPNKXGSNU-JGVFFNPUSA-N 1 0 279.764 2.249 10 0 CEAERO C[NH2+][C@@H]1CCCCC[C@H]1Sc1nnc(C)n1C ZINC000081886285 177877687 /nfs/dbraw/zinc/87/76/87/177877687.db2.gz OPGKKLZYJYIJED-GHMZBOCLSA-N 1 0 254.403 2.136 10 0 CEAERO Cc1nnc(S[C@@H]2CCCCCC[C@@H]2[NH3+])n1C ZINC000081886209 177877478 /nfs/dbraw/zinc/87/74/78/177877478.db2.gz IVOHLOUOAVAFGX-WDEREUQCSA-N 1 0 254.403 2.266 10 0 CEAERO CCC[NH2+][C@@H]1CCCC[C@H]1Sc1n[nH]c(=O)n1CCC ZINC000081879334 177873286 /nfs/dbraw/zinc/87/32/86/177873286.db2.gz MWIMNSGFTOHKTC-VXGBXAGGSA-N 1 0 298.456 2.384 10 0 CEAERO CCC[NH2+][C@@H]1CCOC[C@@H]1Sc1nc(C)cc(C)n1 ZINC000081878202 177872421 /nfs/dbraw/zinc/87/24/21/177872421.db2.gz JNERUDJQOXWSFC-OLZOCXBDSA-N 1 0 281.425 2.343 10 0 CEAERO C[NH2+][C@H](c1ccc(OC)cc1)[C@H](C)SCC(=O)OC ZINC000081793359 177861202 /nfs/dbraw/zinc/86/12/02/177861202.db2.gz SNFMZHHSFPFASR-HZMBPMFUSA-N 1 0 283.393 2.250 10 0 CEAERO CCCOc1ccc([C@@H]([NH3+])CSCC(=O)OC)cc1 ZINC000081791938 177860761 /nfs/dbraw/zinc/86/07/61/177860761.db2.gz KXURQYBJGYFETJ-ZDUSSCGKSA-N 1 0 283.393 2.381 10 0 CEAERO CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1Sc1nnnn1C ZINC000081844382 177865774 /nfs/dbraw/zinc/86/57/74/177865774.db2.gz LIWVCNIRABHTCY-SRVKXCTJSA-N 1 0 283.445 2.105 10 0 CEAERO CC(C)(C)[C@@H]1CC[C@H]([NH3+])[C@H](SCCS(C)(=O)=O)C1 ZINC000081768639 177856273 /nfs/dbraw/zinc/85/62/73/177856273.db2.gz LZWNWBOHGQSDEY-GRYCIOLGSA-N 1 0 293.498 2.306 10 0 CEAERO O=C([C@H]1CCCCO1)N1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000081768014 177855468 /nfs/dbraw/zinc/85/54/68/177855468.db2.gz ICULIOJSMXHZDX-HZPDHXFCSA-N 1 0 294.439 2.326 10 0 CEAERO CC(C)Oc1cccc([C@H](C)NC(=O)CC2C[NH2+]C2)c1 ZINC000081747914 177852875 /nfs/dbraw/zinc/85/28/75/177852875.db2.gz QPXIMHASGHYISM-LBPRGKRZSA-N 1 0 276.380 2.261 10 0 CEAERO CC[NH+](CC)CCN[C@]1(C(=O)OC)CCC[C@H](C2CC2)C1 ZINC000081644113 177834509 /nfs/dbraw/zinc/83/45/09/177834509.db2.gz RURYSTQTFOWTRS-DOTOQJQBSA-N 1 0 296.455 2.430 10 0 CEAERO CC[NH2+]Cc1sc(N2CC[C@H](COC)C2)nc1C ZINC000081120073 177774787 /nfs/dbraw/zinc/77/47/87/177774787.db2.gz MFWJIGSAGMUOQS-NSHDSACASA-N 1 0 269.414 2.034 10 0 CEAERO O[C@@H]1CC[N@H+](Cc2cccc(F)c2)[C@@H]1Cc1cccnc1 ZINC000247745055 256696772 /nfs/dbraw/zinc/69/67/72/256696772.db2.gz QJGNHSCRXUDRHG-IAGOWNOFSA-N 1 0 286.350 2.399 10 0 CEAERO CC(C)Oc1ncccc1CNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000080998937 177752632 /nfs/dbraw/zinc/75/26/32/177752632.db2.gz ZQNSJCAXBHMUBX-AWEZNQCLSA-N 1 0 291.395 2.017 10 0 CEAERO CCNC(=O)c1cc(OCC2([NH3+])CCCCCC2)ccn1 ZINC000080902182 177725445 /nfs/dbraw/zinc/72/54/45/177725445.db2.gz ZHECQMOZVHBSJW-UHFFFAOYSA-N 1 0 291.395 2.262 10 0 CEAERO C[C@@H]1CCC[C@]([NH3+])(C(=O)NCc2ccc(F)cc2)C1 ZINC000080906297 177725232 /nfs/dbraw/zinc/72/52/32/177725232.db2.gz NRHZTXZRSZXZPK-IAQYHMDHSA-N 1 0 264.344 2.350 10 0 CEAERO CC[C@H](C)NC(=O)[C@@H](C)OCC1([NH3+])CCCCCC1 ZINC000080900076 177724712 /nfs/dbraw/zinc/72/47/12/177724712.db2.gz IBZFJVLNYZZEDZ-QWHCGFSZSA-N 1 0 270.417 2.358 10 0 CEAERO [NH3+]C[C@@H](Cn1c2ccccc2oc1=O)c1ccccc1 ZINC000080783605 177706634 /nfs/dbraw/zinc/70/66/34/177706634.db2.gz ADFHJYUFJZJJGG-ZDUSSCGKSA-N 1 0 268.316 2.337 10 0 CEAERO CC[NH2+]Cc1cccc2c1ccn2Cc1ncon1 ZINC000080336321 177643701 /nfs/dbraw/zinc/64/37/01/177643701.db2.gz VAVFDWDBNSFKMI-UHFFFAOYSA-N 1 0 256.309 2.182 10 0 CEAERO CC[NH2+][C@@H]1CCN([C@H](C)Cc2ccc(C)s2)C1=O ZINC000080247851 177631334 /nfs/dbraw/zinc/63/13/34/177631334.db2.gz LNANCBLFBZAVBJ-ZWNOBZJWSA-N 1 0 266.410 2.198 10 0 CEAERO CCCOCCOCC[C@H]1CCC[C@]1(CO)[NH2+]C1CC1 ZINC000093619448 184697396 /nfs/dbraw/zinc/69/73/96/184697396.db2.gz CYOGXXOPPVPLBY-GDBMZVCRSA-N 1 0 285.428 2.103 10 0 CEAERO CC(C)CCOCC[C@@H]1CCC[C@@]1([NH2+]C1CC1)C(N)=O ZINC000093620003 184697452 /nfs/dbraw/zinc/69/74/52/184697452.db2.gz WVWHNRFQTKUGMC-BBRMVZONSA-N 1 0 282.428 2.215 10 0 CEAERO [NH3+][C@H]1CCC[C@H]1CCS(=O)(=O)c1cc(F)ccc1F ZINC000093623543 184697579 /nfs/dbraw/zinc/69/75/79/184697579.db2.gz IGQIFRNOCGEQCV-CABZTGNLSA-N 1 0 289.347 2.256 10 0 CEAERO CCCC1(c2nc([C@@H](C)OC)no2)CC[NH2+]CC1 ZINC000093688943 184706584 /nfs/dbraw/zinc/70/65/84/184706584.db2.gz KMULLZGODIVNSI-SNVBAGLBSA-N 1 0 253.346 2.198 10 0 CEAERO CC[NH2+][C@]1(C(N)=O)CCC[C@H](SC2CCCC2)C1 ZINC000093779728 184720650 /nfs/dbraw/zinc/72/06/50/184720650.db2.gz DALSLRIFFHPGOU-GXTWGEPZSA-N 1 0 270.442 2.438 10 0 CEAERO Cc1nccn1[C@H]1CCC[C@](CO)([NH2+]C(C)C)C1 ZINC000093784112 184721328 /nfs/dbraw/zinc/72/13/28/184721328.db2.gz MKLCOWAIWQSDGH-KBPBESRZSA-N 1 0 251.374 2.036 10 0 CEAERO CC[NH2+][C@@]1(CO)CCC[C@@H](n2nc(C)c(C)c2C)C1 ZINC000093784252 184721501 /nfs/dbraw/zinc/72/15/01/184721501.db2.gz HFQNIPPFYFCNRG-CABCVRRESA-N 1 0 265.401 2.264 10 0 CEAERO CC[NH2+][C@@]1(CO)CCC[C@H](Oc2cccc(N(C)C)c2)C1 ZINC000093784698 184722260 /nfs/dbraw/zinc/72/22/60/184722260.db2.gz XEUOOAUEFWLIGF-IRXDYDNUSA-N 1 0 292.423 2.415 10 0 CEAERO C[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1C[C@@H]1CCCCC[C@@H]1O ZINC000094443146 184801383 /nfs/dbraw/zinc/80/13/83/184801383.db2.gz KDPHSKATOOCRLF-TWMKSMIVSA-N 1 0 280.456 2.486 10 0 CEAERO CC(C)[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCc1cccnc1 ZINC000094448618 184802615 /nfs/dbraw/zinc/80/26/15/184802615.db2.gz FXEQPLDMOMICAX-SJORKVTESA-N 1 0 273.424 2.429 10 0 CEAERO C[C@@H](c1nccs1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000094450043 184803003 /nfs/dbraw/zinc/80/30/03/184803003.db2.gz AUDCAGRGZRPQDN-NWDGAFQWSA-N 1 0 251.399 2.374 10 0 CEAERO COc1ccccc1C(=O)NC1C(C)(C)C([NH3+])C1(C)C ZINC000094006164 184749024 /nfs/dbraw/zinc/74/90/24/184749024.db2.gz ARGMFJMTRDCGPX-UHFFFAOYSA-N 1 0 276.380 2.187 10 0 CEAERO Clc1cc2c(cc1NCC1CC[NH2+]CC1)OCO2 ZINC000094009820 184749819 /nfs/dbraw/zinc/74/98/19/184749819.db2.gz FYFDLMPPMWFPJN-UHFFFAOYSA-N 1 0 268.744 2.480 10 0 CEAERO CCN(CC1CC[NH2+]CC1)C(=O)c1ccccc1OC ZINC000094022351 184750545 /nfs/dbraw/zinc/75/05/45/184750545.db2.gz GERKHBWLJUSBDZ-UHFFFAOYSA-N 1 0 276.380 2.157 10 0 CEAERO Cc1ccc(C(=O)N(C)CC2CC[NH2+]CC2)cc1F ZINC000094021910 184750629 /nfs/dbraw/zinc/75/06/29/184750629.db2.gz LYYNWJKVBANLGF-UHFFFAOYSA-N 1 0 264.344 2.206 10 0 CEAERO C[NH2+][C@H](Cc1nc(-c2ccc(F)cn2)no1)C(C)C ZINC000094051240 184752543 /nfs/dbraw/zinc/75/25/43/184752543.db2.gz QQDWHRGMUOTVHQ-LLVKDONJSA-N 1 0 264.304 2.057 10 0 CEAERO Cc1cc(NC(=O)[C@H]2CCC[NH2+]C2)ncc1Br ZINC000094063604 184752943 /nfs/dbraw/zinc/75/29/43/184752943.db2.gz CNAYRPGGMAJBHG-VIFPVBQESA-N 1 0 298.184 2.091 10 0 CEAERO Cn1cnnc1-c1ccccc1NC1CCC([NH3+])CC1 ZINC000094079473 184754024 /nfs/dbraw/zinc/75/40/24/184754024.db2.gz JGBAHBSCQJIAHM-UHFFFAOYSA-N 1 0 271.368 2.164 10 0 CEAERO CC[NH2+][C@H](Cc1ccc(CC)cn1)c1ccncn1 ZINC000094118088 184756065 /nfs/dbraw/zinc/75/60/65/184756065.db2.gz RWBZGQRYSDBNNM-OAHLLOKOSA-N 1 0 256.353 2.327 10 0 CEAERO CCCn1ccnc1C[C@H](Cc1csc(C)n1)[NH2+]C ZINC000094159598 184757956 /nfs/dbraw/zinc/75/79/56/184757956.db2.gz MZQLKUIABATHCW-LBPRGKRZSA-N 1 0 278.425 2.431 10 0 CEAERO CCCn1ccnc1C[C@@H](N)C(CC)(CC)[NH+](C)C ZINC000094163415 184758408 /nfs/dbraw/zinc/75/84/08/184758408.db2.gz MHZKUNZWVQFELT-CYBMUJFWSA-N 1 0 266.433 2.283 10 0 CEAERO CCCn1c(C[C@]2([NH3+])CCCOC2)nc2ccccc21 ZINC000094169062 184758503 /nfs/dbraw/zinc/75/85/03/184758503.db2.gz WUGBESMNMXXONS-MRXNPFEDSA-N 1 0 273.380 2.497 10 0 CEAERO CCCn1c(C[C@H]([NH3+])[C@H](C)OC)nc2ccccc21 ZINC000094172001 184759271 /nfs/dbraw/zinc/75/92/71/184759271.db2.gz FPYVWDNNYJKOEL-RYUDHWBXSA-N 1 0 261.369 2.351 10 0 CEAERO CCN(C[C@@H](C)C[NH3+])C(=O)c1ccc(F)c(F)c1F ZINC000094183445 184760305 /nfs/dbraw/zinc/76/03/05/184760305.db2.gz LCXBXQBZXHBVBN-QMMMGPOBSA-N 1 0 274.286 2.161 10 0 CEAERO Cc1cscc1C(=O)N1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000094248291 184769809 /nfs/dbraw/zinc/76/98/09/184769809.db2.gz NFSBXZVSAZJHFK-CHWSQXEVSA-N 1 0 264.394 2.413 10 0 CEAERO CCC[C@@]1(c2nc3nc(NC)ccc3[nH]2)CCC[NH2+]C1 ZINC000094264233 184772111 /nfs/dbraw/zinc/77/21/11/184772111.db2.gz DXCAFRRPLXMJCU-OAHLLOKOSA-N 1 0 273.384 2.421 10 0 CEAERO COC1CC[NH+]([C@]2(CN)CCCCC2(C)C)CC1 ZINC000094280318 184774888 /nfs/dbraw/zinc/77/48/88/184774888.db2.gz LYDQYTCLEBSHOR-HNNXBMFYSA-N 1 0 254.418 2.395 10 0 CEAERO CC[NH2+][C@@H]1[C@H](Sc2nncn2C)CCCC1(C)C ZINC000094283485 184775306 /nfs/dbraw/zinc/77/53/06/184775306.db2.gz RWLDYEKQUXFAGL-GHMZBOCLSA-N 1 0 268.430 2.464 10 0 CEAERO CC1(C)CCC[C@@H](Sc2nnnn2C2CC2)[C@@H]1[NH3+] ZINC000094283494 184775311 /nfs/dbraw/zinc/77/53/11/184775311.db2.gz STEKHCWGIDJXRC-ZJUUUORDSA-N 1 0 267.402 2.006 10 0 CEAERO CC(C)Cn1ncnc1COc1c(F)cc(C[NH3+])cc1F ZINC000094345886 184786198 /nfs/dbraw/zinc/78/61/98/184786198.db2.gz MATLHDMUHSIQKT-UHFFFAOYSA-N 1 0 296.321 2.250 10 0 CEAERO COc1cc(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)ccn1 ZINC000094372417 184790718 /nfs/dbraw/zinc/79/07/18/184790718.db2.gz CBJNVDDGQZULDO-DZGCQCFKSA-N 1 0 294.420 2.235 10 0 CEAERO O=C(CC[NH2+][C@@H]1CCOC2(CCCCC2)C1)NC1CC1 ZINC000094375054 184790776 /nfs/dbraw/zinc/79/07/76/184790776.db2.gz CKIMHTYDKBMTDU-CQSZACIVSA-N 1 0 280.412 2.127 10 0 CEAERO NC(=S)C1CC[NH+]([C@H]2CCOC3(CCCC3)C2)CC1 ZINC000094376135 184791111 /nfs/dbraw/zinc/79/11/11/184791111.db2.gz JINFKQPTPWKPGJ-ZDUSSCGKSA-N 1 0 282.453 2.476 10 0 CEAERO CCC[NH2+]Cc1cn([C@@H]2CCO[C@]3(CCSC3)C2)nn1 ZINC000094419052 184795069 /nfs/dbraw/zinc/79/50/69/184795069.db2.gz UWBKQIWOQXQPET-ZIAGYGMSSA-N 1 0 296.440 2.005 10 0 CEAERO C[NH2+][C@@H](Cc1cccnc1N)c1ccc(Cl)cn1 ZINC000094843780 184879340 /nfs/dbraw/zinc/87/93/40/184879340.db2.gz LPNZLSDWXAJTMF-LBPRGKRZSA-N 1 0 262.744 2.215 10 0 CEAERO COc1ccc(CNC(=O)[C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000094749057 184852402 /nfs/dbraw/zinc/85/24/02/184852402.db2.gz YDOMIPFUQDNDJH-LSDHHAIUSA-N 1 0 276.380 2.219 10 0 CEAERO Cc1nc(CN(C)C(=O)[C@H]2CCCCC[C@@H]2[NH3+])cs1 ZINC000094753077 184852995 /nfs/dbraw/zinc/85/29/95/184852995.db2.gz HWTONLKPPVTBKP-STQMWFEESA-N 1 0 281.425 2.318 10 0 CEAERO CC(C)(C)[NH2+]CCc1nc([C@@]2(C)CCCO2)no1 ZINC000094781102 184862916 /nfs/dbraw/zinc/86/29/16/184862916.db2.gz HKASKNKVBNEXSN-CYBMUJFWSA-N 1 0 253.346 2.026 10 0 CEAERO COc1c(C)c[nH+]c(C[C@H](O)[C@]2(C)CCCO2)c1C ZINC000094781949 184863183 /nfs/dbraw/zinc/86/31/83/184863183.db2.gz JTRDJUBHDIPDQZ-ZFWWWQNUSA-N 1 0 265.353 2.180 10 0 CEAERO C[NH2+][C@H](Cc1nn(C)c2ccccc12)[C@@]1(C)CCCO1 ZINC000094783404 184863219 /nfs/dbraw/zinc/86/32/19/184863219.db2.gz ASJFBDKEFGRGFA-HZPDHXFCSA-N 1 0 273.380 2.273 10 0 CEAERO CC[C@H](C)N1C(N)=[NH+]C[C@]12CSCCC2(C)C ZINC000094485900 184809541 /nfs/dbraw/zinc/80/95/41/184809541.db2.gz NEYHBKRYSZDLNI-GXFFZTMASA-N 1 0 255.431 2.317 10 0 CEAERO CC[C@]1(c2nc([C@@H]3CSCCS3)no2)CC[NH2+]C1 ZINC000094495662 184809819 /nfs/dbraw/zinc/80/98/19/184809819.db2.gz PBCQXMQPIRDLRN-CABZTGNLSA-N 1 0 285.438 2.232 10 0 CEAERO C[C@@]1(c2nc(CCC(F)(F)F)no2)CCC[NH2+]C1 ZINC000094492077 184810082 /nfs/dbraw/zinc/81/00/82/184810082.db2.gz BRXVREILSXFRJZ-SNVBAGLBSA-N 1 0 263.263 2.206 10 0 CEAERO C[NH2+][C@@H](Cc1cc(F)ccc1F)[C@H]1CSCCO1 ZINC000094503164 184811764 /nfs/dbraw/zinc/81/17/64/184811764.db2.gz FYOYMYISQIGWTD-QWHCGFSZSA-N 1 0 273.348 2.227 10 0 CEAERO CC[NH2+][C@@H](c1cc(C)c(C)cc1C)[C@@H]1CN2CCN1CC2 ZINC000094509880 184812499 /nfs/dbraw/zinc/81/24/99/184812499.db2.gz VFHSKTQRUSTHCE-ROUUACIJSA-N 1 0 287.451 2.262 10 0 CEAERO C[C@H]1C[C@@H]([NH3+])CN(C(=O)CCc2c[nH]c3ccccc23)C1 ZINC000094548633 184816259 /nfs/dbraw/zinc/81/62/59/184816259.db2.gz KSRYCKZWCVTLHV-GXTWGEPZSA-N 1 0 285.391 2.296 10 0 CEAERO Cc1cc(C(=O)N2C[C@H](C)C[C@@H]([NH3+])C2)sc1C ZINC000094549963 184817028 /nfs/dbraw/zinc/81/70/28/184817028.db2.gz OXLBJRJNJJURLF-LDYMZIIASA-N 1 0 252.383 2.174 10 0 CEAERO [NH3+]C[C@@H]1CC[C@@H](c2nc(Cc3ccc(Cl)cc3)no2)O1 ZINC000094560737 184817638 /nfs/dbraw/zinc/81/76/38/184817638.db2.gz HVYZBRLXPSENEW-RYUDHWBXSA-N 1 0 293.754 2.493 10 0 CEAERO Cc1cccc(-c2noc([C@@H]3CC[C@@H](C[NH3+])O3)n2)c1 ZINC000094560765 184818042 /nfs/dbraw/zinc/81/80/42/184818042.db2.gz VKKAUQFHLDIXGG-RYUDHWBXSA-N 1 0 259.309 2.224 10 0 CEAERO CCC(CC)N(CC(C)C)C(=O)[C@@H]1CC[C@@H](C[NH3+])O1 ZINC000094573312 184821034 /nfs/dbraw/zinc/82/10/34/184821034.db2.gz KMYPYONQKWOILU-KBPBESRZSA-N 1 0 270.417 2.166 10 0 CEAERO CCc1ccc2oc([C@H](C)N3CC[NH2+]CC3)nc2c1 ZINC000094575498 184821350 /nfs/dbraw/zinc/82/13/50/184821350.db2.gz JBMPNZACMINYBI-NSHDSACASA-N 1 0 259.353 2.356 10 0 CEAERO CCCN(CC1CC[NH2+]CC1)c1nc2c(C)cccn2n1 ZINC000094609253 184825899 /nfs/dbraw/zinc/82/58/99/184825899.db2.gz VBYXYOQDNZZOGK-UHFFFAOYSA-N 1 0 287.411 2.254 10 0 CEAERO CC[NH2+][C@@H](C)c1cc(F)ccc1OC[C@@H](O)COCC ZINC000094618704 184828073 /nfs/dbraw/zinc/82/80/73/184828073.db2.gz JWUPZGSWPSRNTL-AAEUAGOBSA-N 1 0 285.359 2.272 10 0 CEAERO CS(=O)(=O)[C@@H]1CCC[C@H](CCC[NH2+]C2CC2)C1 ZINC000094644559 184832436 /nfs/dbraw/zinc/83/24/36/184832436.db2.gz STFQMIMAIUNHPK-DGCLKSJQSA-N 1 0 259.415 2.122 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1cc(F)c(F)cc1F ZINC000094648209 184833730 /nfs/dbraw/zinc/83/37/30/184833730.db2.gz UUUAKVCBIPHIKT-JGVFFNPUSA-N 1 0 272.270 2.431 10 0 CEAERO C[C@@H](O)[C@@](C[NH3+])(Cc1ccc(O)cc1)c1ccccc1 ZINC000094691246 184840180 /nfs/dbraw/zinc/84/01/80/184840180.db2.gz YGFZZKIMTRBMFC-DYVFJYSZSA-N 1 0 271.360 2.212 10 0 CEAERO CC(C)C[C@H](C[NH3+])C(=O)Nc1ccc2nccnc2c1 ZINC000094698196 184842525 /nfs/dbraw/zinc/84/25/25/184842525.db2.gz RRDCHFCFSAKNGI-LLVKDONJSA-N 1 0 272.352 2.189 10 0 CEAERO CC(C)C[C@H](C[NH3+])c1nc2cc(S(C)(=O)=O)ccc2[nH]1 ZINC000094703701 184844137 /nfs/dbraw/zinc/84/41/37/184844137.db2.gz UHRAHQKEAIMKPF-SNVBAGLBSA-N 1 0 295.408 2.055 10 0 CEAERO C[C@H]1CCC[NH2+][C@H]1CNC(=O)Cc1cccc(F)c1F ZINC000094712180 184845392 /nfs/dbraw/zinc/84/53/92/184845392.db2.gz AOAWZXMMXLMLAB-GWCFXTLKSA-N 1 0 282.334 2.012 10 0 CEAERO CC[C@@](C)([C@@H](N)Cc1nc(C)c(C)s1)[NH+](C)C ZINC000094974147 184909431 /nfs/dbraw/zinc/90/94/31/184909431.db2.gz YPAZNHKQRKEZKN-AAEUAGOBSA-N 1 0 255.431 2.360 10 0 CEAERO COc1ncccc1CN1C[C@@H](C2CC2)[NH2+]C[C@@H]1C1CC1 ZINC000095011656 184915266 /nfs/dbraw/zinc/91/52/66/184915266.db2.gz RLSASZNYWVUTMB-JKSUJKDBSA-N 1 0 287.407 2.053 10 0 CEAERO CCC1(CC)C[NH2+][C@@H](C)CN1Cc1cccnc1OC ZINC000095011303 184915504 /nfs/dbraw/zinc/91/55/04/184915504.db2.gz XBWBMPIRWNPNMK-ZDUSSCGKSA-N 1 0 277.412 2.443 10 0 CEAERO [NH3+][C@H]1CC[C@@H]2CN(C(=O)Cc3c(F)cccc3F)C[C@@H]2C1 ZINC000095045052 184923140 /nfs/dbraw/zinc/92/31/40/184923140.db2.gz JNPCXHSLBDOBTK-WOPDTQHZSA-N 1 0 294.345 2.093 10 0 CEAERO C[C@H]1CCC[NH2+][C@H]1CNC(=O)Cc1ccc(F)cc1F ZINC000095066526 184929416 /nfs/dbraw/zinc/92/94/16/184929416.db2.gz XOHLTHUFTHFIFY-HZMBPMFUSA-N 1 0 282.334 2.012 10 0 CEAERO CNc1nc2ccccc2nc1NC1CCC([NH3+])CC1 ZINC000095071356 184932891 /nfs/dbraw/zinc/93/28/91/184932891.db2.gz HEJYMGQWPIVZFT-UHFFFAOYSA-N 1 0 271.368 2.353 10 0 CEAERO CSc1nc(Cl)cc(N(C)[C@@H]2CCC[NH2+]C2)n1 ZINC000095071734 184933324 /nfs/dbraw/zinc/93/33/24/184933324.db2.gz OMDIPVVDEHXZHB-MRVPVSSYSA-N 1 0 272.805 2.040 10 0 CEAERO Brc1ccc(CNC[C@@H]2CCCC[NH2+]2)cn1 ZINC000095092427 184942242 /nfs/dbraw/zinc/94/22/42/184942242.db2.gz SGDXBXRCLJVSPG-NSHDSACASA-N 1 0 284.201 2.076 10 0 CEAERO CC(C)CC1(C[NH2+][C@H](C)C(=O)N2CCOCC2)CCCC1 ZINC000094879010 184886480 /nfs/dbraw/zinc/88/64/80/184886480.db2.gz MTAVLQDIUIQTQZ-OAHLLOKOSA-N 1 0 296.455 2.430 10 0 CEAERO CCC1(C(=O)N(C)CC2CC[NH2+]CC2)CCCC1 ZINC000094906271 184891146 /nfs/dbraw/zinc/89/11/46/184891146.db2.gz FZIODAAKLABZJW-UHFFFAOYSA-N 1 0 252.402 2.415 10 0 CEAERO CCC[NH2+][C@H]1CCOC[C@H]1N(CC)Cc1ccccn1 ZINC000094913022 184891641 /nfs/dbraw/zinc/89/16/41/184891641.db2.gz HFYYFUQUVNQIHL-JKSUJKDBSA-N 1 0 277.412 2.061 10 0 CEAERO CC[C@H](CC[NH3+])CNC(=O)c1cc(F)c(F)c(F)c1 ZINC000094961882 184906106 /nfs/dbraw/zinc/90/61/06/184906106.db2.gz QQWGWHMBMQAQES-MRVPVSSYSA-N 1 0 274.286 2.209 10 0 CEAERO C[NH2+]C[C@H]1Cc2ccccc2CN1Cc1nccs1 ZINC000094967407 184906969 /nfs/dbraw/zinc/90/69/69/184906969.db2.gz KQARFQOTNMEKPY-CQSZACIVSA-N 1 0 273.405 2.289 10 0 CEAERO Cc1cccc([C@H]2CCCN2C(=O)[C@@H]2CC[C@H](C[NH3+])O2)c1 ZINC000261698605 131162577 /nfs/dbraw/zinc/16/25/77/131162577.db2.gz BIAKUOHIVFUOIJ-OAGGEKHMSA-N 1 0 288.391 2.165 10 0 CEAERO CCN(C(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1cc(C)cc(C)c1 ZINC000261760146 131167042 /nfs/dbraw/zinc/16/70/42/131167042.db2.gz LRCYMHOXVPNVTP-CABCVRRESA-N 1 0 276.380 2.163 10 0 CEAERO Cc1ccc(NC(=O)[C@H]([NH3+])C2CCOCC2)c2cccnc12 ZINC000262122873 131192917 /nfs/dbraw/zinc/19/29/17/131192917.db2.gz WIDHJGDYILPFDA-OAHLLOKOSA-N 1 0 299.374 2.236 10 0 CEAERO CCC[C@](C)([NH3+])C(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000262162575 131195922 /nfs/dbraw/zinc/19/59/22/131195922.db2.gz VICFJXAXUKCMBU-ANQUJSFKSA-N 1 0 272.392 2.206 10 0 CEAERO Cc1ccc([C@@H]2CCCN2C(=O)C2CC[NH2+]CC2)o1 ZINC000262700282 131252076 /nfs/dbraw/zinc/25/20/76/131252076.db2.gz HLGLUKRCXJVESD-ZDUSSCGKSA-N 1 0 262.353 2.251 10 0 CEAERO CC[NH+]1CCN(c2ccc(Br)cc2N)CC1 ZINC000019480147 134701361 /nfs/dbraw/zinc/70/13/61/134701361.db2.gz FDVREGYOWVCVTH-UHFFFAOYSA-N 1 0 284.201 2.173 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1N1CCN(c2ccccc2)CC1 ZINC000040431805 134859185 /nfs/dbraw/zinc/85/91/85/134859185.db2.gz ZJNLNLUFZLDFOX-CVEARBPZSA-N 1 0 259.397 2.079 10 0 CEAERO COc1nc(N2CCC([NH+]3CCCCC3)CC2)ccc1N ZINC000040693635 134867976 /nfs/dbraw/zinc/86/79/76/134867976.db2.gz GKQUZJZCBOUZKH-UHFFFAOYSA-N 1 0 290.411 2.127 10 0 CEAERO CC[NH2+]C[C@H]1CCCCN1c1cncc(OC(C)C)n1 ZINC000071176876 134960064 /nfs/dbraw/zinc/96/00/64/134960064.db2.gz UBOTUIIMNHWORV-CYBMUJFWSA-N 1 0 278.400 2.232 10 0 CEAERO C[C@@H]1C[NH2+]CCN1c1ccc(F)cc1Br ZINC000083086687 135014039 /nfs/dbraw/zinc/01/40/39/135014039.db2.gz CKPGBEGDVRBTFK-MRVPVSSYSA-N 1 0 273.149 2.386 10 0 CEAERO C[C@@H]1C[NH2+]CCN1c1ccc(Br)c(F)c1 ZINC000083536295 135027124 /nfs/dbraw/zinc/02/71/24/135027124.db2.gz ZAMGPERUIDEXRH-MRVPVSSYSA-N 1 0 273.149 2.386 10 0 CEAERO CC[C@]1(C)CN(c2ccc(N3CCOCC3)cc2)CC[NH2+]1 ZINC000086148817 135039218 /nfs/dbraw/zinc/03/92/18/135039218.db2.gz ALHVTUDVLFVWDB-QGZVFWFLSA-N 1 0 289.423 2.102 10 0 CEAERO NC(=[NH2+])c1ccc(N2CCC(C(F)(F)F)CC2)nc1 ZINC000088421427 135054946 /nfs/dbraw/zinc/05/49/46/135054946.db2.gz UOYJMNDKOGNXHY-UHFFFAOYSA-N 1 0 272.274 2.144 10 0 CEAERO CC[NH2+][C@@H]1COC[C@@H]1CN1CCCc2ccccc21 ZINC000090493502 135062726 /nfs/dbraw/zinc/06/27/26/135062726.db2.gz VSZLNBAOMFINCU-LSDHHAIUSA-N 1 0 260.381 2.064 10 0 CEAERO O=C(CSCC1C[NH2+]C1)N1CCSc2ccccc21 ZINC000090713328 135064135 /nfs/dbraw/zinc/06/41/35/135064135.db2.gz RXJMXRDIILQSRV-UHFFFAOYSA-N 1 0 294.445 2.078 10 0 CEAERO [NH3+]Cc1cnc2ccccc2c1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905332 135065951 /nfs/dbraw/zinc/06/59/51/135065951.db2.gz FXHQIMBCQSGEPW-BETUJISGSA-N 1 0 269.348 2.061 10 0 CEAERO C[C@@H](O)C(C)(C)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000091405630 135068939 /nfs/dbraw/zinc/06/89/39/135068939.db2.gz MXOKUDSCBPQJAG-CYBMUJFWSA-N 1 0 280.387 2.355 10 0 CEAERO C[NH2+]Cc1cncc(N2CCC[C@@H]3CCCC[C@@H]32)n1 ZINC000091419609 135069530 /nfs/dbraw/zinc/06/95/30/135069530.db2.gz ZNGXPSWSMRZISY-JSGCOSHPSA-N 1 0 260.385 2.355 10 0 CEAERO C[C@@H]1[NH2+]CC[C@H]1CN1CCN(c2cccc(Cl)c2)CC1 ZINC000092957679 135077367 /nfs/dbraw/zinc/07/73/67/135077367.db2.gz OGJWXEYKYOTKHH-KBPBESRZSA-N 1 0 293.842 2.460 10 0 CEAERO C[NH2+]C[C@H](C)[C@@H](C)N1CCN(c2ccccc2F)CC1 ZINC000093068230 135078822 /nfs/dbraw/zinc/07/88/22/135078822.db2.gz SRKDKXJZAJULRI-UONOGXRCSA-N 1 0 279.403 2.192 10 0 CEAERO [NH3+]Cc1c(F)cccc1N1CCN(c2nccs2)CC1 ZINC000093395213 135080605 /nfs/dbraw/zinc/08/06/05/135080605.db2.gz ANCFDZHHDSSZCE-UHFFFAOYSA-N 1 0 292.383 2.068 10 0 CEAERO C[C@@H]1CSCCN1c1cccc(F)c1C(N)=[NH2+] ZINC000093408975 135080819 /nfs/dbraw/zinc/08/08/19/135080819.db2.gz OZDJIHVSAIPFBC-MRVPVSSYSA-N 1 0 253.346 2.051 10 0 CEAERO CC[C@@](C)([NH3+])C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000094231689 135084279 /nfs/dbraw/zinc/08/42/79/135084279.db2.gz VTWBPVZGIJKMOA-QGZVFWFLSA-N 1 0 289.423 2.079 10 0 CEAERO C[C@H]1C[C@H]1[NH2+]Cc1cc(Br)ncc1F ZINC000306478817 394515839 /nfs/dbraw/zinc/51/58/39/394515839.db2.gz ZYEHWVFKYBQZEW-IMTBSYHQSA-N 1 0 259.122 2.481 10 0 CEAERO [NH3+]CCNc1cc(Br)c(F)cc1F ZINC000306476252 394515922 /nfs/dbraw/zinc/51/59/22/394515922.db2.gz ITRFMPFLULJPNZ-UHFFFAOYSA-N 1 0 251.074 2.098 10 0 CEAERO [NH3+]CCNc1c(F)cc(Br)cc1F ZINC000306473791 394515945 /nfs/dbraw/zinc/51/59/45/394515945.db2.gz FCZCIPBRSOSHJX-UHFFFAOYSA-N 1 0 251.074 2.098 10 0 CEAERO C[C@H](N[C@H](C[NH+](C)C)c1ccccc1)c1nccn1C ZINC000070443586 394587134 /nfs/dbraw/zinc/58/71/34/394587134.db2.gz XAKWXXGSUXGNHE-DZGCQCFKSA-N 1 0 272.396 2.374 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(Cl)n1 ZINC000246964203 394524293 /nfs/dbraw/zinc/52/42/93/394524293.db2.gz NAHFUYABFRNXOD-RYUDHWBXSA-N 1 0 293.798 2.434 10 0 CEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1cnc2ccccc2n1 ZINC000247024546 394525686 /nfs/dbraw/zinc/52/56/86/394525686.db2.gz GDVLYYDIOKWQTB-STQMWFEESA-N 1 0 268.364 2.303 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(C)on1 ZINC000247335736 394529542 /nfs/dbraw/zinc/52/95/42/394529542.db2.gz FTFIFKUSHYATDQ-NEPJUHHUSA-N 1 0 278.356 2.074 10 0 CEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@@H](O)c1ccc(F)cc1 ZINC000247470857 394531411 /nfs/dbraw/zinc/53/14/11/394531411.db2.gz RQIUDBCFAKXVOL-UHOFOFEASA-N 1 0 278.371 2.028 10 0 CEAERO C[C@@H]1CN(C(=O)/C=C\c2ccc(Cl)cc2)C[C@@H]1[NH3+] ZINC000310600981 394535069 /nfs/dbraw/zinc/53/50/69/394535069.db2.gz QITMMVMMDUBPCK-WGOFPRFOSA-N 1 0 264.756 2.159 10 0 CEAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000248420704 394540415 /nfs/dbraw/zinc/54/04/15/394540415.db2.gz XITOUEBYWILHIY-IPYPFGDCSA-N 1 0 292.427 2.190 10 0 CEAERO CCOc1cc(C[NH2+]C[C@H](O)C(C)(C)C)ccc1O ZINC000324316050 394549490 /nfs/dbraw/zinc/54/94/90/394549490.db2.gz FYSXRAJYJUINDC-AWEZNQCLSA-N 1 0 267.369 2.288 10 0 CEAERO [NH3+]CCCc1nc(-c2ccc(C(F)(F)F)cc2)n[nH]1 ZINC000072236602 394597724 /nfs/dbraw/zinc/59/77/24/394597724.db2.gz VPUKIIKUEZNVFN-UHFFFAOYSA-N 1 0 270.258 2.382 10 0 CEAERO Cc1cc(F)cc2c1CN(C[C@H]1CCC[NH2+]C1)CC2 ZINC000261935931 394609022 /nfs/dbraw/zinc/60/90/22/394609022.db2.gz MBOCOCPJGFGTBY-ZDUSSCGKSA-N 1 0 262.372 2.492 10 0 CEAERO O=C(C1C[NH2+]C1)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000263314785 394628164 /nfs/dbraw/zinc/62/81/64/394628164.db2.gz QBGRALGPZJWZAY-UHFFFAOYSA-N 1 0 285.174 2.098 10 0 CEAERO Cn1cc([C@@H]2CCC[N@@H+]2CCC(=O)OC(C)(C)C)cn1 ZINC000264035769 394632485 /nfs/dbraw/zinc/63/24/85/394632485.db2.gz OIVGGYACZLDMSE-ZDUSSCGKSA-N 1 0 279.384 2.289 10 0 CEAERO Clc1cc(N2CC[N@@H+]3CCCC[C@H]3C2)ccn1 ZINC000268198029 394691156 /nfs/dbraw/zinc/69/11/56/394691156.db2.gz YGFJPDFGNINHLJ-LBPRGKRZSA-N 1 0 251.761 2.410 10 0 CEAERO CN(C(=O)C1CC2(CCC2)C1)[C@H]1CCC[NH2+]CC1 ZINC000335472709 394769676 /nfs/dbraw/zinc/76/96/76/394769676.db2.gz JRTUSAGYFJJUHW-ZDUSSCGKSA-N 1 0 250.386 2.167 10 0 CEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCC(C)CC2)C1 ZINC000131445175 394910547 /nfs/dbraw/zinc/91/05/47/394910547.db2.gz YNHFUXGOAOUKMO-UONOGXRCSA-N 1 0 267.417 2.157 10 0 CEAERO CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000282214164 394913064 /nfs/dbraw/zinc/91/30/64/394913064.db2.gz HNENVRSBLLGYTB-NWANDNLSSA-N 1 0 260.381 2.264 10 0 CEAERO CC[C@H](O)CN1CC[NH+](C[C@H](C)Cc2ccccc2)CC1 ZINC000132335319 394927962 /nfs/dbraw/zinc/92/79/62/394927962.db2.gz ALCPKIDVRGDKRR-AEFFLSMTSA-N 1 0 290.451 2.254 10 0 CEAERO CC(C)CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)C1CC1 ZINC000338779724 394928803 /nfs/dbraw/zinc/92/88/03/394928803.db2.gz LHOBMFLLOOKBET-BNOWGMLFSA-N 1 0 252.402 2.458 10 0 CEAERO C[C@@H](COCc1ccccc1)[NH2+]C1CCC(O)CC1 ZINC000285920660 394985215 /nfs/dbraw/zinc/98/52/15/394985215.db2.gz DTCFFVLBRYKMRF-JEYLPNPQSA-N 1 0 263.381 2.485 10 0 CEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CCSc1ccccc1 ZINC000423645312 394961882 /nfs/dbraw/zinc/96/18/82/394961882.db2.gz OEDBVEIRAIYMAF-YPMHNXCESA-N 1 0 264.394 2.117 10 0 CEAERO C[C@H](NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000151325788 394976363 /nfs/dbraw/zinc/97/63/63/394976363.db2.gz VLCAVSGWBWPFQG-XJKSGUPXSA-N 1 0 280.387 2.323 10 0 CEAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000170834873 395092734 /nfs/dbraw/zinc/09/27/34/395092734.db2.gz KUHITZIXFREUHV-RBSFLKMASA-N 1 0 291.370 2.027 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C(C)=O)cc2)C1 ZINC000171865601 395098687 /nfs/dbraw/zinc/09/86/87/395098687.db2.gz OBJLVIPTCZLWNS-OAHLLOKOSA-N 1 0 274.364 2.103 10 0 CEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)CCC(C)(C)C)C1 ZINC000173887400 395117012 /nfs/dbraw/zinc/11/70/12/395117012.db2.gz WYCVGIWVBJYVNX-OLZOCXBDSA-N 1 0 290.473 2.071 10 0 CEAERO CC[C@@H](Oc1ccccc1F)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000175551000 395133232 /nfs/dbraw/zinc/13/32/32/395133232.db2.gz DMYDWDORVTZIMY-TZMCWYRMSA-N 1 0 294.370 2.146 10 0 CEAERO CC(C)[N@H+]1C[C@H](NC(=O)NCC(C)(C)C)[C@@H](C)C1 ZINC000176501560 395139441 /nfs/dbraw/zinc/13/94/41/395139441.db2.gz MUAMUTNOITXEKW-RYUDHWBXSA-N 1 0 255.406 2.060 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(F)ccc1OC ZINC000176966825 395143668 /nfs/dbraw/zinc/14/36/68/395143668.db2.gz WHILBELSAHETLD-ZDUSSCGKSA-N 1 0 294.370 2.391 10 0 CEAERO CCN1CCO[C@@H](C[NH2+][C@H]2CCCC23CCCC3)C1 ZINC000382359410 395180408 /nfs/dbraw/zinc/18/04/08/395180408.db2.gz MKJHKALJCDGDCC-GJZGRUSLSA-N 1 0 266.429 2.410 10 0 CEAERO COc1ncc(C[NH2+][C@H](CC(C)C)CN(C)C)s1 ZINC000381172442 395172786 /nfs/dbraw/zinc/17/27/86/395172786.db2.gz XRZYICYYFSNEMW-LLVKDONJSA-N 1 0 271.430 2.218 10 0 CEAERO CC[C@@H]1CN2CCCC[C@H]2C[N@@H+]1C[C@@H](OC)C1CC1 ZINC000381182962 395172869 /nfs/dbraw/zinc/17/28/69/395172869.db2.gz IXLRGTDIIKJJJE-OWCLPIDISA-N 1 0 266.429 2.360 10 0 CEAERO O[C@H]1CCC[C@H](C[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000383269977 395184776 /nfs/dbraw/zinc/18/47/76/395184776.db2.gz FSYQLOHLNFZRQP-RDJZCZTQSA-N 1 0 274.408 2.360 10 0 CEAERO CCCCOC[C@H](O)C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403490809 395277380 /nfs/dbraw/zinc/27/73/80/395277380.db2.gz VJKFJAVMCAJLRJ-APIJFGDWSA-N 1 0 255.402 2.190 10 0 CEAERO Cc1cc(F)c(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1F ZINC000185177890 395276898 /nfs/dbraw/zinc/27/68/98/395276898.db2.gz FOABFWYPSBDWMH-PXWWUCIGSA-N 1 0 280.318 2.083 10 0 CEAERO CCn1c(C)nnc1C[NH2+][C@H]1C[C@H](OC)C1(CC)CC ZINC000191381105 395357072 /nfs/dbraw/zinc/35/70/72/395357072.db2.gz GQVUWCMEBMUOSB-STQMWFEESA-N 1 0 280.416 2.290 10 0 CEAERO C[C@H](CC[NH2+]Cc1cocn1)NC(=O)OC(C)(C)C ZINC000192308341 395379145 /nfs/dbraw/zinc/37/91/45/395379145.db2.gz KSNGCAZCABQULD-SNVBAGLBSA-N 1 0 269.345 2.068 10 0 CEAERO CCOC(=O)c1ncnc(Nc2cc[nH+]cc2)c1Cl ZINC000199904958 395470589 /nfs/dbraw/zinc/47/05/89/395470589.db2.gz SNTZTPHCAQXFDE-UHFFFAOYSA-N 1 0 278.699 2.445 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCc2ccsc2C1 ZINC000648153747 395847364 /nfs/dbraw/zinc/84/73/64/395847364.db2.gz GVQJPDLJNIHHCU-RYUDHWBXSA-N 1 0 264.394 2.008 10 0 CEAERO O=C(N[C@@H](C1CCC1)C1CCCC1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000648200476 395862432 /nfs/dbraw/zinc/86/24/32/395862432.db2.gz JQZKNCAQFBIDPQ-BFHYXJOUSA-N 1 0 268.376 2.162 10 0 CEAERO C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCC[C@@H]2C[NH3+])o1 ZINC000646796384 396381943 /nfs/dbraw/zinc/38/19/43/396381943.db2.gz FOYTVGLMJCPFDC-BZPMIXESSA-N 1 0 276.380 2.285 10 0 CEAERO C[C@@H]1CN(c2cnn(Cc3ccccc3)c2)CCC[NH2+]1 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CC(C)n1ccnc1CN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352451 401492114 /nfs/dbraw/zinc/49/21/14/401492114.db2.gz ZVVJLKPQWKVCOJ-ZFWWWQNUSA-N 1 0 262.401 2.025 10 0 CEAERO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)COC(C)C)C12CCCC2 ZINC000154012028 286247471 /nfs/dbraw/zinc/24/74/71/286247471.db2.gz UFMKFNYAYMIRJM-ARFHVFGLSA-N 1 0 299.455 2.442 10 0 CEAERO COc1cc2c(cc1F)CN(C[C@@H]1CCC[NH2+]C1)CC2 ZINC000261943848 286256067 /nfs/dbraw/zinc/25/60/67/286256067.db2.gz NAHNBXFWHOXFCN-GFCCVEGCSA-N 1 0 278.371 2.192 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](COC)C(C)C)C12CCOCC2 ZINC000186358044 286289438 /nfs/dbraw/zinc/28/94/38/286289438.db2.gz ZJGSSNIKZKGFGM-RRFJBIMHSA-N 1 0 285.428 2.221 10 0 CEAERO Cc1cc(C)c(C[N@@H+]2CCCNC(=O)[C@H]2C)c(C)c1 ZINC000189077665 153081135 /nfs/dbraw/zinc/08/11/35/153081135.db2.gz YEPWRTRZSYOBBZ-CQSZACIVSA-N 1 0 260.381 2.322 10 0 CEAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CC[C@@H]1CCCO1 ZINC000189509881 153097341 /nfs/dbraw/zinc/09/73/41/153097341.db2.gz 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XCWMCWZAOPKVTA-YWPYICTPSA-N 1 0 261.369 2.166 10 0 CEAERO Cc1cccc(-c2c[nH]c([C@@H]3CCCN3CC[NH3+])n2)c1 ZINC000263081322 154014680 /nfs/dbraw/zinc/01/46/80/154014680.db2.gz XOUOMWJCQYELPJ-HNNXBMFYSA-N 1 0 270.380 2.481 10 0 CEAERO C[C@]1([NH3+])CCCC[C@@H]1C(=O)Nc1ccnc2ccncc21 ZINC000263187896 154032769 /nfs/dbraw/zinc/03/27/69/154032769.db2.gz HOKIRHSMHHIVJS-WBMJQRKESA-N 1 0 284.363 2.476 10 0 CEAERO C[C@H]1CCc2nc(CN3CC[NH2+]C(C)(C)C3)sc2C1 ZINC000263252793 154044298 /nfs/dbraw/zinc/04/42/98/154044298.db2.gz PMSOZWNYIXBTRB-NSHDSACASA-N 1 0 279.453 2.452 10 0 CEAERO O=C(NCc1ccc(OC2CCCCC2)cc1)C1C[NH2+]C1 ZINC000263322750 154058760 /nfs/dbraw/zinc/05/87/60/154058760.db2.gz RSWGYFYMSOHSIC-UHFFFAOYSA-N 1 0 288.391 2.234 10 0 CEAERO CCC[C@H](C)C[NH2+]C1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263514898 154108909 /nfs/dbraw/zinc/10/89/09/154108909.db2.gz OJKZABNWLIZNBB-GRTSSRMGSA-N 1 0 282.428 2.340 10 0 CEAERO C[C@@H]1[NH2+]CCC[C@H]1NCc1cncc(Br)c1 ZINC000334832556 154235571 /nfs/dbraw/zinc/23/55/71/154235571.db2.gz DTEZSXAVCLMXIJ-JOYOIKCWSA-N 1 0 284.201 2.074 10 0 CEAERO Cc1cccc(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)c1Cl ZINC000235363822 292422746 /nfs/dbraw/zinc/42/27/46/292422746.db2.gz KOZQMFUVTCBVEI-MWLCHTKSSA-N 1 0 252.745 2.068 10 0 CEAERO Brc1cnccc1N[C@@H]1CCC[NH2+]C1 ZINC000159899987 162319134 /nfs/dbraw/zinc/31/91/34/162319134.db2.gz DBQMUQOVDRKXRI-MRVPVSSYSA-N 1 0 256.147 2.008 10 0 CEAERO CC[C@@H](NC(=O)[C@H](C)C1C[NH2+]C1)c1cccs1 ZINC000164453658 162332809 /nfs/dbraw/zinc/33/28/09/162332809.db2.gz VYDFRBTYBCIZAQ-MWLCHTKSSA-N 1 0 252.383 2.171 10 0 CEAERO C[C@@H](C(=O)Nc1cc(Cl)ccc1N(C)C)C1C[NH2+]C1 ZINC000164052140 162334671 /nfs/dbraw/zinc/33/46/71/162334671.db2.gz MDQJKEIFBTYIBI-SECBINFHSA-N 1 0 281.787 2.200 10 0 CEAERO CC(C)c1ccc(CNC(=O)[C@@H](C)C2C[NH2+]C2)cc1 ZINC000164475961 162335557 /nfs/dbraw/zinc/33/55/57/162335557.db2.gz LULYHHZEPYKNCE-LBPRGKRZSA-N 1 0 260.381 2.282 10 0 CEAERO CCCc1ccc(S(=O)(=O)NCC[C@H]2CCC[NH2+]2)cc1 ZINC000166794370 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ZINC000173608521 165079955 /nfs/dbraw/zinc/07/99/55/165079955.db2.gz HVYLLKJKBMYKTD-LBPRGKRZSA-N 1 0 268.430 2.231 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc(CC(C)C)no1 ZINC000175043189 165122157 /nfs/dbraw/zinc/12/21/57/165122157.db2.gz MTANWNIFXMNJMA-UONOGXRCSA-N 1 0 292.427 2.327 10 0 CEAERO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000177123140 165190525 /nfs/dbraw/zinc/19/05/25/165190525.db2.gz YKTQGPDLLBELCC-STQMWFEESA-N 1 0 257.341 2.071 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCOCCC(C)C ZINC000177442282 165200698 /nfs/dbraw/zinc/20/06/98/165200698.db2.gz UFHZBWBWXIPSPS-OAHLLOKOSA-N 1 0 299.459 2.175 10 0 CEAERO C[C@H](COCc1ccccc1)NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000178158044 165223932 /nfs/dbraw/zinc/22/39/32/165223932.db2.gz BIYWNHWDPFYHDP-PBHICJAKSA-N 1 0 298.386 2.408 10 0 CEAERO CC[N@@H+]1CCC[C@H](Nc2ncccc2-c2nc(C)no2)C1 ZINC000180423512 165308422 /nfs/dbraw/zinc/30/84/22/165308422.db2.gz AYMXCYANQXYQQE-LBPRGKRZSA-N 1 0 287.367 2.336 10 0 CEAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cncc(F)c1)CC2 ZINC000180610376 165316230 /nfs/dbraw/zinc/31/62/30/165316230.db2.gz UAKUUMOAYVEFRH-ZWNOBZJWSA-N 1 0 289.358 2.040 10 0 CEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CCC(=O)C[C@H]1C ZINC000245897881 287222618 /nfs/dbraw/zinc/22/26/18/287222618.db2.gz SVQQJGFBQCUSSH-IXYNUQLISA-N 1 0 292.423 2.077 10 0 CEAERO O[C@@]1(c2ccc(-c3ncccn3)cc2)C[NH+]2CCC1CC2 ZINC000003800489 169913295 /nfs/dbraw/zinc/91/32/95/169913295.db2.gz RRMINTDAZGXFGR-QGZVFWFLSA-N 1 0 281.359 2.057 10 0 CEAERO CSc1nc2ccccc2c(NCC[NH+](C)C)n1 ZINC000005342199 170087924 /nfs/dbraw/zinc/08/79/24/170087924.db2.gz MMQMATWWTULVMQ-UHFFFAOYSA-N 1 0 262.382 2.325 10 0 CEAERO Cc1cccc([C@@H](C[NH3+])S(=O)(=O)c2ccccc2)c1 ZINC000008031165 170315432 /nfs/dbraw/zinc/31/54/32/170315432.db2.gz BEYGLPLPHNZMRH-OAHLLOKOSA-N 1 0 275.373 2.469 10 0 CEAERO COc1ccccc1[C@H](C[NH3+])S(=O)(=O)c1ccccc1 ZINC000008037173 170315634 /nfs/dbraw/zinc/31/56/34/170315634.db2.gz WXCJCJJDCACZHP-HNNXBMFYSA-N 1 0 291.372 2.169 10 0 CEAERO [NH3+]CCCc1nnc(SCc2ccccc2F)o1 ZINC000008039361 170315674 /nfs/dbraw/zinc/31/56/74/170315674.db2.gz FPNDSGQSGZTLFO-UHFFFAOYSA-N 1 0 267.329 2.392 10 0 CEAERO [NH3+]C[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 ZINC000019669652 170835137 /nfs/dbraw/zinc/83/51/37/170835137.db2.gz XBFGCNDMCICRJL-SSDOTTSWSA-N 1 0 259.136 2.305 10 0 CEAERO [NH3+]CCCN(Cc1cccnc1)C(=O)c1ccccc1 ZINC000019811546 170879191 /nfs/dbraw/zinc/87/91/91/170879191.db2.gz VFNMIJACKIYCFH-UHFFFAOYSA-N 1 0 269.348 2.073 10 0 CEAERO Cc1cc([C@@H](C)[NH2+][C@@H]2CCS(=O)(=O)C2)c(C)s1 ZINC000020133331 171020956 /nfs/dbraw/zinc/02/09/56/171020956.db2.gz CIHPHQFKMSRJGX-MWLCHTKSSA-N 1 0 273.423 2.203 10 0 CEAERO CC(C)C[C@H](C[NH2+]Cc1ccc(O)cc1)N1CCOCC1 ZINC000020144205 171029673 /nfs/dbraw/zinc/02/96/73/171029673.db2.gz ADPWRVNWJUGZLY-MRXNPFEDSA-N 1 0 292.423 2.229 10 0 CEAERO CC(=O)NCC[NH2+]C1CCC(c2ccccc2)CC1 ZINC000020148734 171037245 /nfs/dbraw/zinc/03/72/45/171037245.db2.gz VJMKVZIDPJSLBB-UHFFFAOYSA-N 1 0 260.381 2.439 10 0 CEAERO COc1cccc(OC)c1C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000020181983 171045612 /nfs/dbraw/zinc/04/56/12/171045612.db2.gz HNVFREDLNPGVCP-GFCCVEGCSA-N 1 0 292.379 2.047 10 0 CEAERO C=COCCC[NH2+]Cc1cc(OC)c(OC)c(OC)c1 ZINC000020197022 171061181 /nfs/dbraw/zinc/06/11/81/171061181.db2.gz LTWZFQONFZTUNC-UHFFFAOYSA-N 1 0 281.352 2.352 10 0 CEAERO CC(C)OCCC[NH2+][C@@H]1COc2cc(O)ccc21 ZINC000020198219 171062084 /nfs/dbraw/zinc/06/20/84/171062084.db2.gz MQDYOBZMPRFZHP-CYBMUJFWSA-N 1 0 251.326 2.230 10 0 CEAERO [NH3+]CCOCCOc1c(Cl)cccc1Cl ZINC000020221464 171083080 /nfs/dbraw/zinc/08/30/80/171083080.db2.gz USUIRKOPULLLAX-UHFFFAOYSA-N 1 0 250.125 2.348 10 0 CEAERO CCOc1ccccc1C[C@@H](C[NH3+])c1nnc(C)o1 ZINC000020222290 171084735 /nfs/dbraw/zinc/08/47/35/171084735.db2.gz CGLODHPZRMKASZ-LBPRGKRZSA-N 1 0 261.325 2.062 10 0 CEAERO CC(C)(C)C(=O)Nc1ccc(OCCC[NH3+])cc1 ZINC000020224591 171087132 /nfs/dbraw/zinc/08/71/32/171087132.db2.gz DWONEUGMTMMGDJ-UHFFFAOYSA-N 1 0 250.342 2.399 10 0 CEAERO COc1ccccc1N(CC[NH3+])C(=O)CC(C)C ZINC000020235742 171096452 /nfs/dbraw/zinc/09/64/52/171096452.db2.gz QZZFFQKYXMWWNV-UHFFFAOYSA-N 1 0 250.342 2.033 10 0 CEAERO CCc1ccc([C@@H](C[NH3+])N2CCSCC2)cc1 ZINC000020257022 171112106 /nfs/dbraw/zinc/11/21/06/171112106.db2.gz RPRNVUPLUNAMBT-CQSZACIVSA-N 1 0 250.411 2.298 10 0 CEAERO COc1cccc(OCc2nc(CC[NH3+])cs2)c1 ZINC000020399100 171181349 /nfs/dbraw/zinc/18/13/49/171181349.db2.gz MJWJIQSGWRJOPD-UHFFFAOYSA-N 1 0 264.350 2.232 10 0 CEAERO Cc1ccc(F)c(NC(=O)[C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000020471997 171214733 /nfs/dbraw/zinc/21/47/33/171214733.db2.gz AKGKZUPIJCLMKU-WDEREUQCSA-N 1 0 250.317 2.461 10 0 CEAERO CC(C)[C@@H](C)[NH2+][C@H](C)c1cccc(-n2cnnn2)c1 ZINC000020522963 171235792 /nfs/dbraw/zinc/23/57/92/171235792.db2.gz DITPFADFAFEDQH-VXGBXAGGSA-N 1 0 259.357 2.357 10 0 CEAERO COc1cccc(C[C@H]2C[N@@H+](C3CCC3)CCO2)c1 ZINC000020775367 171272277 /nfs/dbraw/zinc/27/22/77/171272277.db2.gz NHZCMBPZOCPEAM-INIZCTEOSA-N 1 0 261.365 2.491 10 0 CEAERO CC[NH+](CC)CCCNC(=O)Nc1cccc(N)c1 ZINC000021809204 171328676 /nfs/dbraw/zinc/32/86/76/171328676.db2.gz ZRSJTYNJEQFZGM-UHFFFAOYSA-N 1 0 264.373 2.122 10 0 CEAERO C[C@H]([NH2+]CC(N)=O)c1ccc(-c2ccccc2)cc1 ZINC000022148523 171357578 /nfs/dbraw/zinc/35/75/78/171357578.db2.gz ORGDSMOXTPDDRK-LBPRGKRZSA-N 1 0 254.333 2.490 10 0 CEAERO Cc1c(N)cccc1NC(=O)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000022152998 171360242 /nfs/dbraw/zinc/36/02/42/171360242.db2.gz KDZOOYBABWZNDZ-TXEJJXNPSA-N 1 0 291.395 2.015 10 0 CEAERO Cc1c(N)cccc1NC(=O)C[NH+]1CCCCCC1 ZINC000022155094 171361991 /nfs/dbraw/zinc/36/19/91/171361991.db2.gz QFUFTKJMMAWFED-UHFFFAOYSA-N 1 0 261.369 2.392 10 0 CEAERO C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2N)C1 ZINC000022155715 171362579 /nfs/dbraw/zinc/36/25/79/171362579.db2.gz VVZZTULZXWHAOL-GFCCVEGCSA-N 1 0 261.369 2.329 10 0 CEAERO [NH3+]Cc1ccnc(Oc2ccc3c(c2)CCC(=O)N3)c1 ZINC000022166421 171366176 /nfs/dbraw/zinc/36/61/76/171366176.db2.gz ICULJCPGGOUGQN-UHFFFAOYSA-N 1 0 269.304 2.217 10 0 CEAERO CCCCS(=O)(=O)Nc1cccc([C@@H](C)[NH3+])c1 ZINC000022169570 171367378 /nfs/dbraw/zinc/36/73/78/171367378.db2.gz GVMBHAXNIQDFFS-SNVBAGLBSA-N 1 0 256.371 2.248 10 0 CEAERO Cc1cccc(OCC(=O)Nc2cccc(C[NH3+])c2)c1 ZINC000022169882 171367809 /nfs/dbraw/zinc/36/78/09/171367809.db2.gz OPWHVMRCFPPBEK-UHFFFAOYSA-N 1 0 270.332 2.471 10 0 CEAERO C[C@@H]1CN([C@@H](C[NH3+])c2ccc(Br)cc2)CCO1 ZINC000022171423 171368232 /nfs/dbraw/zinc/36/82/32/171368232.db2.gz WMUGGOYLIBHWQQ-MFKMUULPSA-N 1 0 299.212 2.170 10 0 CEAERO CC(C)[N@H+](C)[C@@H](C)C(=O)Nc1cc(N)ccc1F ZINC000022177772 171371353 /nfs/dbraw/zinc/37/13/53/171371353.db2.gz ZRWHMJULGSUGGU-VIFPVBQESA-N 1 0 253.321 2.075 10 0 CEAERO C[C@@H](OCc1ccco1)C(=O)Nc1ccccc1C[NH3+] ZINC000022211370 171373660 /nfs/dbraw/zinc/37/36/60/171373660.db2.gz FFJNGFRCPHVQGQ-LLVKDONJSA-N 1 0 274.320 2.282 10 0 CEAERO O[C@]1(c2ccc(C3OCCCO3)cc2)C[NH+]2CCC1CC2 ZINC000026744663 171497975 /nfs/dbraw/zinc/49/79/75/171497975.db2.gz YXISPSZRYQWDQP-KRWDZBQOSA-N 1 0 289.375 2.035 10 0 CEAERO CC[NH2+]C[C@H](O)COc1cccc(C(C)(C)C)c1 ZINC000032106898 171698561 /nfs/dbraw/zinc/69/85/61/171698561.db2.gz GDAAPXUIMFLYGG-ZDUSSCGKSA-N 1 0 251.370 2.333 10 0 CEAERO CCN(CC)C(=O)[C@H](C)[NH2+][C@H](C)CCc1ccco1 ZINC000035224759 172069674 /nfs/dbraw/zinc/06/96/74/172069674.db2.gz IGHWATOEAOUENV-OLZOCXBDSA-N 1 0 266.385 2.447 10 0 CEAERO CNC(=O)[C@H](C)Oc1c2ccccc2ccc1[C@@H](C)[NH3+] ZINC000035427238 172194911 /nfs/dbraw/zinc/19/49/11/172194911.db2.gz CLZBXRZYHMPSRL-MNOVXSKESA-N 1 0 272.348 2.373 10 0 CEAERO CCCN(c1nc2sccn2c1C[NH3+])C(C)C ZINC000035430153 172198224 /nfs/dbraw/zinc/19/82/24/172198224.db2.gz QXAMSMGNFOEUJM-UHFFFAOYSA-N 1 0 252.387 2.479 10 0 CEAERO CC[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)c(F)c1 ZINC000035555780 172262000 /nfs/dbraw/zinc/26/20/00/172262000.db2.gz CWCXZIXUQVUTIY-CYBMUJFWSA-N 1 0 251.280 2.397 10 0 CEAERO C[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC(C)(C)C)c1 ZINC000035632789 172315348 /nfs/dbraw/zinc/31/53/48/172315348.db2.gz IJQGHBZEJWLOLB-JTQLQIEISA-N 1 0 270.398 2.044 10 0 CEAERO CCN(C(C)C)S(=O)(=O)c1cccc([C@H](C)[NH2+]C)c1 ZINC000035633747 172317272 /nfs/dbraw/zinc/31/72/72/172317272.db2.gz FYOWXEGKFRSCEK-LBPRGKRZSA-N 1 0 284.425 2.386 10 0 CEAERO COCCOc1c(Cl)cc(Cl)cc1C[NH3+] ZINC000035661821 172339656 /nfs/dbraw/zinc/33/96/56/172339656.db2.gz KIHZDBZTGOTXDL-UHFFFAOYSA-N 1 0 250.125 2.477 10 0 CEAERO C[NH2+]Cc1cc(Cl)cc(Cl)c1OCCO ZINC000035662022 172340442 /nfs/dbraw/zinc/34/04/42/172340442.db2.gz LTTRENRXHTWDIS-UHFFFAOYSA-N 1 0 250.125 2.084 10 0 CEAERO C[C@@H](NC(=O)c1ccc(F)cc1F)[C@H]1CCCC[NH2+]1 ZINC000035690750 172359499 /nfs/dbraw/zinc/35/94/99/172359499.db2.gz OZAKIXQPCIUODI-NOZJJQNGSA-N 1 0 268.307 2.225 10 0 CEAERO [NH3+]Cc1ccc(OCCSc2ncccn2)cc1 ZINC000035722196 172377734 /nfs/dbraw/zinc/37/77/34/172377734.db2.gz ZZHMMSFOOHEVTM-UHFFFAOYSA-N 1 0 261.350 2.106 10 0 CEAERO Cn1ccnc1SCc1cc(C[NH3+])ccc1F ZINC000035722643 172378331 /nfs/dbraw/zinc/37/83/31/172378331.db2.gz QRECESNBTMAPGJ-UHFFFAOYSA-N 1 0 251.330 2.310 10 0 CEAERO C[C@@H]1CS(=O)(=O)c2c(Cl)ccc(Cl)c2[C@@H]1[NH3+] ZINC000035755720 172396550 /nfs/dbraw/zinc/39/65/50/172396550.db2.gz WFGQKKKDCDCTQF-MLUIRONXSA-N 1 0 280.176 2.417 10 0 CEAERO CC(C)[NH2+][C@H]1C[C@H](C)S(=O)(=O)c2ccccc21 ZINC000035760624 172398450 /nfs/dbraw/zinc/39/84/50/172398450.db2.gz FBZLFVQKXUOOKK-JQWIXIFHSA-N 1 0 253.367 2.292 10 0 CEAERO CCCCS(=O)(=O)N(CCC[NH3+])c1ccc(F)cc1 ZINC000036730639 172662171 /nfs/dbraw/zinc/66/21/71/172662171.db2.gz CGGKZDWVXCCFHQ-UHFFFAOYSA-N 1 0 288.388 2.111 10 0 CEAERO CC(C)N(CCC[NH3+])C(=O)Nc1ccc(F)cc1 ZINC000036731691 172663048 /nfs/dbraw/zinc/66/30/48/172663048.db2.gz DVTXTQAGZUHHPJ-UHFFFAOYSA-N 1 0 253.321 2.417 10 0 CEAERO CC[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1 ZINC000036881186 172777682 /nfs/dbraw/zinc/77/76/82/172777682.db2.gz BRYAXTSANJINPC-UHFFFAOYSA-N 1 0 272.348 2.203 10 0 CEAERO CC(C)C[C@@H]([NH2+]C(C1CC1)C1CC1)C(=O)N(C)C ZINC000036924505 172807530 /nfs/dbraw/zinc/80/75/30/172807530.db2.gz ZPXGWEAXWAPPIA-CYBMUJFWSA-N 1 0 252.402 2.268 10 0 CEAERO CC[NH2+]C[C@@H](O)COc1ccc(OC)cc1C(C)(C)C ZINC000036949058 172824226 /nfs/dbraw/zinc/82/42/26/172824226.db2.gz QSBXNKGWNGQZDX-GFCCVEGCSA-N 1 0 281.396 2.342 10 0 CEAERO [NH3+]CCCN(C(=O)c1cccc(O)c1)c1ccccc1 ZINC000037114685 172966385 /nfs/dbraw/zinc/96/63/85/172966385.db2.gz RUHJVRMHPIZBSC-UHFFFAOYSA-N 1 0 270.332 2.388 10 0 CEAERO Cc1ccc([C@H](C[NH3+])N(C)[C@@H]2CCSC2)cc1 ZINC000037174483 173008576 /nfs/dbraw/zinc/00/85/76/173008576.db2.gz MKPHPVJRMAGFOC-KGLIPLIRSA-N 1 0 250.411 2.432 10 0 CEAERO CN([C@@H](C[NH3+])c1cc(F)ccc1F)[C@H]1CCSC1 ZINC000037233644 173051989 /nfs/dbraw/zinc/05/19/89/173051989.db2.gz NUAYQQSJLGJUQD-GWCFXTLKSA-N 1 0 272.364 2.402 10 0 CEAERO COC(=O)CC[NH2+]Cc1ccccc1OC(C)C ZINC000037252032 173063621 /nfs/dbraw/zinc/06/36/21/173063621.db2.gz YCXDNIFKLNGKIM-UHFFFAOYSA-N 1 0 251.326 2.127 10 0 CEAERO O=S1(=O)CC[C@H]([NH2+]CC2CCC2)c2ccccc21 ZINC000037253611 173064391 /nfs/dbraw/zinc/06/43/91/173064391.db2.gz DZQNTNZWJZRORQ-ZDUSSCGKSA-N 1 0 265.378 2.295 10 0 CEAERO COC1CC[NH+]([C@H](C)[C@@H](N)c2ccc(C)cc2)CC1 ZINC000037266143 173076572 /nfs/dbraw/zinc/07/65/72/173076572.db2.gz VKOXHFAGWFAVDF-CZUORRHYSA-N 1 0 262.397 2.494 10 0 CEAERO CC(C)C[N@H+](C)CC(=O)Nc1cc(N)ccc1Cl ZINC000037273375 173085288 /nfs/dbraw/zinc/08/52/88/173085288.db2.gz LTGHHLBVLQYRIR-UHFFFAOYSA-N 1 0 269.776 2.449 10 0 CEAERO Fc1ccc(Cc2noc([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000037330921 173131869 /nfs/dbraw/zinc/13/18/69/173131869.db2.gz CVRJXCAVBIFXQV-NSHDSACASA-N 1 0 261.300 2.267 10 0 CEAERO O[C@@H](c1cc2c(cc1Cl)OCCO2)C1CC[NH2+]CC1 ZINC000037332265 173133826 /nfs/dbraw/zinc/13/38/26/173133826.db2.gz ILVSLWSHUVHDIU-CQSZACIVSA-N 1 0 283.755 2.144 10 0 CEAERO CC[NH+](CC)CCNCc1c(OC)cc(OC)cc1OC ZINC000037374982 173164063 /nfs/dbraw/zinc/16/40/63/173164063.db2.gz CXBHCTAWJGLRLM-UHFFFAOYSA-N 1 0 296.411 2.144 10 0 CEAERO [NH3+][C@@H]1C[C@H]1c1cc(Br)c2c(c1)OCCCO2 ZINC000037381761 173167723 /nfs/dbraw/zinc/16/77/23/173167723.db2.gz ORSRVWFSXGMYDJ-WCBMZHEXSA-N 1 0 284.153 2.425 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000037395303 173175326 /nfs/dbraw/zinc/17/53/26/173175326.db2.gz JBTCYBSKDLRNGJ-SECBINFHSA-N 1 0 298.770 2.438 10 0 CEAERO CC(C)n1c2ccc(F)cc2nc1[C@H]([NH3+])[C@@H](C)O ZINC000037439722 173209441 /nfs/dbraw/zinc/20/94/41/173209441.db2.gz MBFDIXYUBRSTNG-PRHODGIISA-N 1 0 251.305 2.137 10 0 CEAERO CCn1c2c(cccc2Cl)nc1[C@@H]([NH3+])[C@H](C)O ZINC000037443971 173211868 /nfs/dbraw/zinc/21/18/68/173211868.db2.gz RRTVQNSLBDXGST-XVKPBYJWSA-N 1 0 253.733 2.090 10 0 CEAERO [NH3+][C@@H](Cc1ccc(Br)cc1)c1ncccn1 ZINC000037467228 173226692 /nfs/dbraw/zinc/22/66/92/173226692.db2.gz LTAGLHYSGAKORN-NSHDSACASA-N 1 0 278.153 2.482 10 0 CEAERO Cc1ccc(N2CC[C@H]([NH3+])C2)c(Br)c1 ZINC000037483421 173228526 /nfs/dbraw/zinc/22/85/26/173228526.db2.gz KONKPKLUNOLTOG-VIFPVBQESA-N 1 0 255.159 2.295 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)N(CCOC)Cc1ccccc1 ZINC000037495615 173234788 /nfs/dbraw/zinc/23/47/88/173234788.db2.gz GCOMFOOKCKUZLS-CQSZACIVSA-N 1 0 278.396 2.050 10 0 CEAERO CC(C)[NH2+]CC(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000037495138 173235128 /nfs/dbraw/zinc/23/51/28/173235128.db2.gz QHCOQLOAVPNVRC-WFASDCNBSA-N 1 0 252.402 2.412 10 0 CEAERO CCC[NH2+][C@@](C)(C(N)=O)c1ccc(F)c(Cl)c1 ZINC000037513896 173245498 /nfs/dbraw/zinc/24/54/98/173245498.db2.gz FRBLLCYOTYWJOD-GFCCVEGCSA-N 1 0 258.724 2.179 10 0 CEAERO CCN(C(=O)Cc1ccc(C)cc1)C1CC[NH2+]CC1 ZINC000037537290 173256074 /nfs/dbraw/zinc/25/60/74/173256074.db2.gz AVJKDAPDIHXDEM-UHFFFAOYSA-N 1 0 260.381 2.138 10 0 CEAERO [NH3+]Cc1cc(Cl)cc(Cl)c1O[C@H]1CCOC1=O ZINC000037711272 173631897 /nfs/dbraw/zinc/63/18/97/173631897.db2.gz XDDZULHLWIGRBA-VIFPVBQESA-N 1 0 276.119 2.146 10 0 CEAERO COc1ccc(CC[NH3+])cc1OCc1cscn1 ZINC000037721779 173639848 /nfs/dbraw/zinc/63/98/48/173639848.db2.gz KRSJJNLJNLMBLG-UHFFFAOYSA-N 1 0 264.350 2.232 10 0 CEAERO CCOCCOc1c(CC[NH3+])cccc1OCC ZINC000037721948 173640393 /nfs/dbraw/zinc/64/03/93/173640393.db2.gz SCONCEJZVJOTEN-UHFFFAOYSA-N 1 0 253.342 2.002 10 0 CEAERO CC(=O)Nc1ccc(NC2CC[NH2+]CC2)cc1Cl ZINC000038041046 174041110 /nfs/dbraw/zinc/04/11/10/174041110.db2.gz LSRFUVZEPPEFNK-UHFFFAOYSA-N 1 0 267.760 2.462 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)Cc1c(F)cccc1Cl ZINC000038048747 174059417 /nfs/dbraw/zinc/05/94/17/174059417.db2.gz VCXYZCNDCNZQRE-OLZOCXBDSA-N 1 0 284.762 2.408 10 0 CEAERO CCOc1ccc([C@@](C)([NH2+][C@H](C)CC)C(N)=O)cc1 ZINC000038065534 174076080 /nfs/dbraw/zinc/07/60/80/174076080.db2.gz WQURQEBPGUJGLL-IAQYHMDHSA-N 1 0 264.369 2.174 10 0 CEAERO CCC[NH2+][C@@H](C[C@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC000038085361 174096127 /nfs/dbraw/zinc/09/61/27/174096127.db2.gz AMYLJLZEYUQMNB-NEPJUHHUSA-N 1 0 261.431 2.226 10 0 CEAERO C[C@@H](C[NH2+]Cc1ccccc1N1CCCC1)N(C)C ZINC000038087593 174099451 /nfs/dbraw/zinc/09/94/51/174099451.db2.gz KJPHSBNSVKTQLA-AWEZNQCLSA-N 1 0 261.413 2.327 10 0 CEAERO C[C@H]1c2ccsc2CCN1C(=O)[C@@H]1CCCC[NH2+]1 ZINC000038100814 174115591 /nfs/dbraw/zinc/11/55/91/174115591.db2.gz SANQQWAREVLCPH-JQWIXIFHSA-N 1 0 264.394 2.336 10 0 CEAERO C[C@@H]1c2ccsc2CCN1C(=O)[C@](C)([NH3+])C1CC1 ZINC000038100929 174116405 /nfs/dbraw/zinc/11/64/05/174116405.db2.gz XCZBAWWPPJUPSK-YMTOWFKASA-N 1 0 264.394 2.321 10 0 CEAERO OC[C@@H]([NH2+]C1CC1)c1cccc(Br)c1 ZINC000038124277 174130706 /nfs/dbraw/zinc/13/07/06/174130706.db2.gz JFZVNVSHEJKGEH-LLVKDONJSA-N 1 0 256.143 2.235 10 0 CEAERO COc1ccc(Br)cc1[C@@H](CO)[NH2+]C1CC1 ZINC000038124343 174130897 /nfs/dbraw/zinc/13/08/97/174130897.db2.gz QDIUDGVVKXHWSG-LLVKDONJSA-N 1 0 286.169 2.243 10 0 CEAERO c1ccc2c(c1)[nH]c1c2C[C@H]([NH+]2CCOCC2)CC1 ZINC000039214002 174166391 /nfs/dbraw/zinc/16/63/91/174166391.db2.gz GBSZGBFPTNWPMG-GFCCVEGCSA-N 1 0 256.349 2.357 10 0 CEAERO CCC[C@@H]1CN(Cc2ccccc2C(=O)OC)CC[NH2+]1 ZINC000039952531 174177151 /nfs/dbraw/zinc/17/71/51/174177151.db2.gz FNJYRCYHZZBNJN-CQSZACIVSA-N 1 0 276.380 2.047 10 0 CEAERO COCCn1c2ccc(C(F)(F)F)cc2nc1C[NH3+] ZINC000040404825 174254039 /nfs/dbraw/zinc/25/40/39/174254039.db2.gz UDHCSUHNJYMQOO-UHFFFAOYSA-N 1 0 273.258 2.160 10 0 CEAERO CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@H](C)c1ccc(OC)cc1OC ZINC000040487200 174289449 /nfs/dbraw/zinc/28/94/49/174289449.db2.gz LBYPOBYWRSFYJY-HFAKWTLXSA-N 1 0 294.395 2.254 10 0 CEAERO COc1ccc([C@@H](C)NC(=O)CC[NH2+]C(C)C)cc1OC ZINC000040491296 174292516 /nfs/dbraw/zinc/29/25/16/174292516.db2.gz PWICFTHJFOSTGA-GFCCVEGCSA-N 1 0 294.395 2.269 10 0 CEAERO Cc1ccc(OC[C@@H](C)[NH2+][C@@H](C)C(=O)N2CCCC2)cc1 ZINC000040499958 174296268 /nfs/dbraw/zinc/29/62/68/174296268.db2.gz UUOHLQMAQYHUHC-CABCVRRESA-N 1 0 290.407 2.363 10 0 CEAERO CCOc1cc(C[NH2+][C@@H]2CCCN(CC)C2)ccc1O ZINC000040502044 174298530 /nfs/dbraw/zinc/29/85/30/174298530.db2.gz QXIPOYRKPZYSIO-CQSZACIVSA-N 1 0 278.396 2.365 10 0 CEAERO CCN1CCC[C@@H]([NH2+]Cc2c(C)nc3ccccn32)C1 ZINC000040502788 174299383 /nfs/dbraw/zinc/29/93/83/174299383.db2.gz UHEVUICIGSWYOY-CQSZACIVSA-N 1 0 272.396 2.217 10 0 CEAERO CCN1CCC[C@@H]([NH2+]Cc2cccc3c2OCCO3)C1 ZINC000040502662 174299413 /nfs/dbraw/zinc/29/94/13/174299413.db2.gz YGMXGEQTAIRYQB-CQSZACIVSA-N 1 0 276.380 2.032 10 0 CEAERO Cc1nc(C)c([C@@H](C)NC(=O)C2([NH3+])CCCC2)s1 ZINC000040519122 174308387 /nfs/dbraw/zinc/30/83/87/174308387.db2.gz VMYFNVKBXALUIB-SECBINFHSA-N 1 0 267.398 2.209 10 0 CEAERO Cc1nc(C)c([C@H](C)[NH2+][C@H](C)C(=O)NC2CC2)s1 ZINC000040518745 174308683 /nfs/dbraw/zinc/30/86/83/174308683.db2.gz NSMVCCGOCJUPEV-IONNQARKSA-N 1 0 267.398 2.078 10 0 CEAERO C[NH2+]C[C@@H]1CCCN(Cc2cc(F)ccc2OC)C1 ZINC000040599972 174350104 /nfs/dbraw/zinc/35/01/04/174350104.db2.gz MGIVFYPCZGWWON-LBPRGKRZSA-N 1 0 266.360 2.266 10 0 CEAERO CCCCc1ccc(NC(=O)[C@@H]2C[C@H](OC)C[NH2+]2)cc1 ZINC000040631698 174358469 /nfs/dbraw/zinc/35/84/69/174358469.db2.gz UYIJREVVJBIEGA-GJZGRUSLSA-N 1 0 276.380 2.345 10 0 CEAERO CO[C@H]1C[NH2+][C@H](c2nc(-c3c(F)cccc3F)c[nH]2)C1 ZINC000040637833 174361891 /nfs/dbraw/zinc/36/18/91/174361891.db2.gz UEMUOESJPWUXPK-KCJUWKMLSA-N 1 0 279.290 2.404 10 0 CEAERO CC[C@H]([NH2+]CCc1nccn1C)c1ccc(O)cc1 ZINC000040638734 174362909 /nfs/dbraw/zinc/36/29/09/174362909.db2.gz ADQVDZZJDQONMR-AWEZNQCLSA-N 1 0 259.353 2.409 10 0 CEAERO FC(F)(F)CN[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000040671068 174368726 /nfs/dbraw/zinc/36/87/26/174368726.db2.gz IRPKDVBOWVSNKX-CYBMUJFWSA-N 1 0 272.314 2.455 10 0 CEAERO CC(C)CCOc1ccc(C[NH2+]C(C)(C)C(N)=O)cc1 ZINC000040674342 174372613 /nfs/dbraw/zinc/37/26/13/174372613.db2.gz BDTWGTMFERZWHI-UHFFFAOYSA-N 1 0 278.396 2.465 10 0 CEAERO CN(C)c1cccc(OC[C@H](O)c2ccc(C[NH3+])cc2)c1 ZINC000040714214 174381823 /nfs/dbraw/zinc/38/18/23/174381823.db2.gz SYPLPYNIRNDUKQ-KRWDZBQOSA-N 1 0 286.375 2.324 10 0 CEAERO CCCCNC(=O)N(CC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747946 174393297 /nfs/dbraw/zinc/39/32/97/174393297.db2.gz GBCFOSSIIYRDLS-FUNVUKJBSA-N 1 0 253.390 2.101 10 0 CEAERO CCc1ccc(Oc2nc[nH+]c(NN(C)C)c2N)cc1 ZINC000040760142 174396725 /nfs/dbraw/zinc/39/67/25/174396725.db2.gz UOZNLTQSJOLQBW-UHFFFAOYSA-N 1 0 273.340 2.302 10 0 CEAERO CC(C)C[C@@H]1CO[C@@H](c2ccc(S(C)(=O)=O)cc2)C[NH2+]1 ZINC000040797398 174408101 /nfs/dbraw/zinc/40/81/01/174408101.db2.gz FAVCCGXZCARSLJ-UKRRQHHQSA-N 1 0 297.420 2.166 10 0 CEAERO COc1ccc(C[N@@H+]2C[C@H](C)C[C@@H](O)C2)c(F)c1 ZINC000401779206 414754324 /nfs/dbraw/zinc/75/43/24/414754324.db2.gz AQAZRLZOVGBBEB-ZYHUDNBSSA-N 1 0 253.317 2.037 10 0 CEAERO COc1ccc(C[N@@H+]2C[C@H](C)C[C@H](O)C2)c(F)c1 ZINC000401779203 414754822 /nfs/dbraw/zinc/75/48/22/414754822.db2.gz AQAZRLZOVGBBEB-PWSUYJOCSA-N 1 0 253.317 2.037 10 0 CEAERO CC[N@H+](C[C@@H](O)COCc1ccccc1)[C@H]1CCCOC1 ZINC000402702827 414758026 /nfs/dbraw/zinc/75/80/26/414758026.db2.gz PIYNDSOMMJIYJZ-DLBZAZTESA-N 1 0 293.407 2.065 10 0 CEAERO CCCCOC[C@H](O)C[N@@H+]1C[C@H](CC)OC[C@@H]1CC ZINC000403727657 414768311 /nfs/dbraw/zinc/76/83/11/414768311.db2.gz ACFVZHCZQPVMKA-ZNMIVQPWSA-N 1 0 273.417 2.053 10 0 CEAERO Fc1cccc(Cl)c1CN1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404276191 414779175 /nfs/dbraw/zinc/77/91/75/414779175.db2.gz RYNSSRZULIIXLR-ZIAGYGMSSA-N 1 0 284.762 2.042 10 0 CEAERO CC[C@@H](NC(=O)C(C)(C)N1CC[NH2+]CC1)C1CCCCC1 ZINC000129728572 414812705 /nfs/dbraw/zinc/81/27/05/414812705.db2.gz XKWICOIGSCPPBJ-OAHLLOKOSA-N 1 0 295.471 2.145 10 0 CEAERO CN(C(=O)c1cccc(Cl)c1F)[C@H](C[NH3+])C(F)(F)F ZINC000662984229 414818167 /nfs/dbraw/zinc/81/81/67/414818167.db2.gz IZXYOUYLFMPVBF-MRVPVSSYSA-N 1 0 298.667 2.441 10 0 CEAERO C[C@H](C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)c1ccccc1 ZINC000662984033 414818185 /nfs/dbraw/zinc/81/81/85/414818185.db2.gz IMNFEVBDADNDNE-ONGXEEELSA-N 1 0 274.286 2.138 10 0 CEAERO CN(C(=O)c1coc2ccccc21)[C@@H](C[NH3+])C(F)(F)F ZINC000662982950 414818407 /nfs/dbraw/zinc/81/84/07/414818407.db2.gz KAFWBSDMOBPTLM-NSHDSACASA-N 1 0 286.253 2.394 10 0 CEAERO C[C@@H]1CCCC[C@H]1C(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662987189 414819153 /nfs/dbraw/zinc/81/91/53/414819153.db2.gz RTDKZRXQUNRKSF-OPRDCNLKSA-N 1 0 266.307 2.161 10 0 CEAERO CS(=O)(=O)CCCC[NH2+]C1(C2CCC2)CCC1 ZINC000657264020 414822817 /nfs/dbraw/zinc/82/28/17/414822817.db2.gz YNTFAMFBXDEZSD-UHFFFAOYSA-N 1 0 259.415 2.124 10 0 CEAERO C[C@@H]([NH3+])c1ccc(NC(=O)NCc2ccncc2)cc1 ZINC000041707921 174611035 /nfs/dbraw/zinc/61/10/35/174611035.db2.gz YEHACKQNPWQZDA-LLVKDONJSA-N 1 0 270.336 2.423 10 0 CEAERO C[C@@H]([NH3+])c1cccc(NC(=O)NC[C@@H]2CCCO2)c1 ZINC000041711891 174613172 /nfs/dbraw/zinc/61/31/72/174613172.db2.gz ZUYKXRZDFGLJEG-MFKMUULPSA-N 1 0 263.341 2.007 10 0 CEAERO OCC[N@H+](C[C@@H]1CCC[C@@H](O)C1)C1CCCCC1 ZINC000311097113 414857451 /nfs/dbraw/zinc/85/74/51/414857451.db2.gz JJDFUAILOIARMH-UKRRQHHQSA-N 1 0 255.402 2.165 10 0 CEAERO CCc1ccc([C@H](C)NC[C@@H](O)C[N@@H+](C)CC)cc1 ZINC000311453121 414860078 /nfs/dbraw/zinc/86/00/78/414860078.db2.gz JTNLBAZRFNFZHG-XJKSGUPXSA-N 1 0 264.413 2.212 10 0 CEAERO COCc1csc(C[NH2+][C@H]2CCC[C@H](O)C2)c1 ZINC000657324761 414860220 /nfs/dbraw/zinc/86/02/20/414860220.db2.gz CVWRSEVZSHFICO-RYUDHWBXSA-N 1 0 255.383 2.288 10 0 CEAERO O[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCN1Cc1ccccc1 ZINC000663372846 414932539 /nfs/dbraw/zinc/93/25/39/414932539.db2.gz ICLOMZMKWJDULY-BRWVUGGUSA-N 1 0 274.408 2.154 10 0 CEAERO O[C@@H]1CCCC[C@H]1[NH2+]Cc1cnccc1C(F)(F)F ZINC000663378898 414935830 /nfs/dbraw/zinc/93/58/30/414935830.db2.gz JKIIVZOOWDVTMV-VXGBXAGGSA-N 1 0 274.286 2.494 10 0 CEAERO CC[C@@H]1C[C@H](C(=O)N[C@H](CC(C)C)C[NH+](C)C)CCO1 ZINC000248535840 287294546 /nfs/dbraw/zinc/29/45/46/287294546.db2.gz GQEPVXRANJYIOO-RBSFLKMASA-N 1 0 284.444 2.284 10 0 CEAERO CC(C)[C@H]([NH3+])CCNc1nccc(C(F)(F)F)n1 ZINC000663275704 414902377 /nfs/dbraw/zinc/90/23/77/414902377.db2.gz BRLDBWGKIXWHQM-MRVPVSSYSA-N 1 0 262.279 2.281 10 0 CEAERO Nc1cccc2c1ccnc2N1CC[N@@H+]2CCC[C@H]2C1 ZINC000663566736 414990100 /nfs/dbraw/zinc/99/01/00/414990100.db2.gz MKXSFIDIIJTWSD-LBPRGKRZSA-N 1 0 268.364 2.101 10 0 CEAERO O=C([C@@H]1C[NH2+]C[C@H]1C(F)(F)F)N1CCC[C@H]2CCC[C@H]21 ZINC000653447099 414997338 /nfs/dbraw/zinc/99/73/38/414997338.db2.gz KDMSMLVYXLFQSX-DDHJBXDOSA-N 1 0 290.329 2.175 10 0 CEAERO CCC(CC)[N@H+](CCO)C[C@H](O)c1ccccc1 ZINC000042512558 174765701 /nfs/dbraw/zinc/76/57/01/174765701.db2.gz NPZBBLZAADKDFR-HNNXBMFYSA-N 1 0 251.370 2.203 10 0 CEAERO CCC1CCC(NC(=O)[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000042582531 174806378 /nfs/dbraw/zinc/80/63/78/174806378.db2.gz ZIFXZQGQGSTZGU-ZIHBUVQPSA-N 1 0 252.402 2.460 10 0 CEAERO CN1C[C@H](C[NH2+]Cc2c(F)cccc2Cl)CC1=O ZINC000657693702 415049338 /nfs/dbraw/zinc/04/93/38/415049338.db2.gz GBCZXIPNSVGGII-VIFPVBQESA-N 1 0 270.735 2.047 10 0 CEAERO COCCN(C(=O)Nc1cccc(C[NH3+])c1)[C@H](C)C1CC1 ZINC000042689873 174837892 /nfs/dbraw/zinc/83/78/92/174837892.db2.gz SXIDFUNQXMNTGW-GFCCVEGCSA-N 1 0 291.395 2.424 10 0 CEAERO CC[C@@H]([NH3+])[C@H](c1ccc(F)cc1)n1nc(C)nc1C ZINC000042916004 174916261 /nfs/dbraw/zinc/91/62/61/174916261.db2.gz HLUGOOUXUPBMFU-KGLIPLIRSA-N 1 0 262.332 2.361 10 0 CEAERO COc1cccc([C@@H](Sc2nncn2C)[C@@H](C)[NH3+])c1 ZINC000043031985 174949073 /nfs/dbraw/zinc/94/90/73/174949073.db2.gz FZTDPMZJHRBMAP-SKDRFNHKSA-N 1 0 278.381 2.004 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1nnnn1C)c1ccccc1C ZINC000043040714 174953185 /nfs/dbraw/zinc/95/31/85/174953185.db2.gz RGGXZEUCHFOXEX-RYUDHWBXSA-N 1 0 277.397 2.089 10 0 CEAERO C[C@@H]([NH3+])[C@@H](c1ccccc1Cl)N(CCO)C1CC1 ZINC000043052601 174960395 /nfs/dbraw/zinc/96/03/95/174960395.db2.gz JNCAUVXETFVBPS-YGRLFVJLSA-N 1 0 268.788 2.185 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1nncn1C)c1cccs1 ZINC000043113214 174974665 /nfs/dbraw/zinc/97/46/65/174974665.db2.gz IMTSUPXSZDUSRW-WPRPVWTQSA-N 1 0 268.411 2.447 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](OCc1cccc(OC)c1)c1cnn(C)c1 ZINC000043235217 174987256 /nfs/dbraw/zinc/98/72/56/174987256.db2.gz YCWLFBFJIKZARC-CVEARBPZSA-N 1 0 289.379 2.424 10 0 CEAERO CC[C@@H]([NH3+])[C@H](Sc1ncc(C)cn1)c1cnn(C)c1 ZINC000043238651 174988229 /nfs/dbraw/zinc/98/82/29/174988229.db2.gz JUJIUBMCBJMHOP-VXGBXAGGSA-N 1 0 277.397 2.089 10 0 CEAERO Cc1ccc([C@@H](OC[C@@H]2CCOC2)[C@@H](C)[NH3+])s1 ZINC000043246032 174990820 /nfs/dbraw/zinc/99/08/20/174990820.db2.gz NYIKGKZOMURYEC-WZRBSPASSA-N 1 0 255.383 2.498 10 0 CEAERO Cc1ccsc1[C@H]([C@H](C)[NH3+])N(C)Cc1cnn(C)c1 ZINC000043248489 174992294 /nfs/dbraw/zinc/99/22/94/174992294.db2.gz WKAPVEOJBPBPCD-AAEUAGOBSA-N 1 0 278.425 2.310 10 0 CEAERO CC[NH2+][C@H](c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000043300986 175001707 /nfs/dbraw/zinc/00/17/07/175001707.db2.gz FWJJNIGWFWWCAS-MFKMUULPSA-N 1 0 287.812 2.425 10 0 CEAERO CCOc1cc(N[C@@H]2CCC[NH2+]C2)ccc1OC ZINC000043326661 175008061 /nfs/dbraw/zinc/00/80/61/175008061.db2.gz FZKUOFCUPCGDAF-GFCCVEGCSA-N 1 0 250.342 2.258 10 0 CEAERO COc1ccc(O)c(C(=O)N(C)CC[C@H]2CCCC[NH2+]2)c1 ZINC000043327796 175009287 /nfs/dbraw/zinc/00/92/87/175009287.db2.gz AAHLJHBFLDIPCC-GFCCVEGCSA-N 1 0 292.379 2.005 10 0 CEAERO COc1ccc(O)c(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1 ZINC000043334178 175010800 /nfs/dbraw/zinc/01/08/00/175010800.db2.gz JZNPRTGXHWSJEO-LBPRGKRZSA-N 1 0 294.395 2.107 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](c1ccco1)N(CCCOC)CCOC ZINC000043335996 175011702 /nfs/dbraw/zinc/01/17/02/175011702.db2.gz KTSAHNWWLKCUCD-HIFRSBDPSA-N 1 0 284.400 2.043 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccco1)N(CCCO)C(C)C ZINC000043336111 175011857 /nfs/dbraw/zinc/01/18/57/175011857.db2.gz RTISPVHELKDXFI-JSGCOSHPSA-N 1 0 254.374 2.151 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccco1)N(CCOC)[C@@H](C)COC ZINC000043336209 175012249 /nfs/dbraw/zinc/01/22/49/175012249.db2.gz CMPPHGYFZYMJFC-KCQAQPDRSA-N 1 0 284.400 2.041 10 0 CEAERO [NH3+]C[C@H](Sc1nnnn1-c1ccccc1)c1ccco1 ZINC000043338291 175012674 /nfs/dbraw/zinc/01/26/74/175012674.db2.gz OXYWRFWMFIBKHQ-LBPRGKRZSA-N 1 0 287.348 2.047 10 0 CEAERO CC[C@H]([NH3+])[C@H](Sc1n[nH]c(C)n1)c1ccco1 ZINC000043338665 175013120 /nfs/dbraw/zinc/01/31/20/175013120.db2.gz HSAZMBIVGYBTIA-WPRPVWTQSA-N 1 0 252.343 2.277 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1ccccn1)N(CC(F)(F)F)C1CC1 ZINC000043341177 175015301 /nfs/dbraw/zinc/01/53/01/175015301.db2.gz HCZATDYWNLTTID-CABZTGNLSA-N 1 0 273.302 2.497 10 0 CEAERO C[C@@H]([NH3+])[C@H](c1ccccn1)N(CC(F)(F)F)C1CC1 ZINC000043341183 175015474 /nfs/dbraw/zinc/01/54/74/175015474.db2.gz HCZATDYWNLTTID-BXKDBHETSA-N 1 0 273.302 2.497 10 0 CEAERO C[C@@H]([NH3+])[C@H](OCc1ccc2c(c1)OCO2)c1ccccn1 ZINC000043342828 175015943 /nfs/dbraw/zinc/01/59/43/175015943.db2.gz IWHFQDIYIQJRKW-BZNIZROVSA-N 1 0 286.331 2.415 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Oc1ccc(CO)cc1)c1ccccn1 ZINC000043344001 175016421 /nfs/dbraw/zinc/01/64/21/175016421.db2.gz BZRRSZBGQWGLIC-GDBMZVCRSA-N 1 0 272.348 2.431 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1cccnc1)N(C)[C@@H]1CCSC1 ZINC000043346274 175017349 /nfs/dbraw/zinc/01/73/49/175017349.db2.gz MNAQZUJGKLHILI-HZSPNIEDSA-N 1 0 265.426 2.297 10 0 CEAERO C[C@H]([NH3+])[C@@H](c1cccnc1)N(C)Cc1cscn1 ZINC000043348654 175018373 /nfs/dbraw/zinc/01/83/73/175018373.db2.gz WMWJPUGUYGJFAW-GWCFXTLKSA-N 1 0 262.382 2.058 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1cccnc1)N(C)Cc1cscn1 ZINC000043348660 175018732 /nfs/dbraw/zinc/01/87/32/175018732.db2.gz WZYAXXYAPPKOAA-UONOGXRCSA-N 1 0 276.409 2.449 10 0 CEAERO CC[C@H]([NH3+])[C@@H](Sc1ncccn1)c1cccnc1 ZINC000043352136 175020128 /nfs/dbraw/zinc/02/01/28/175020128.db2.gz QSOQMMIGTVKNBL-RYUDHWBXSA-N 1 0 260.366 2.442 10 0 CEAERO C[C@@H]([NH3+])[C@H](OCCc1ccccn1)c1ccncc1 ZINC000043356053 175023809 /nfs/dbraw/zinc/02/38/09/175023809.db2.gz OHRAMZAKJAVUKL-DOMZBBRYSA-N 1 0 257.337 2.124 10 0 CEAERO Cc1nnc(S[C@@H](c2ccncc2)[C@@H](C)[NH3+])s1 ZINC000043363498 175024210 /nfs/dbraw/zinc/02/42/10/175024210.db2.gz DFIIIMABHTYKFW-GMSGAONNSA-N 1 0 266.395 2.422 10 0 CEAERO CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)N(CC)CC(=O)NC(C)C ZINC000043364986 175025361 /nfs/dbraw/zinc/02/53/61/175025361.db2.gz BNJATFIBMKIPRS-BBRMVZONSA-N 1 0 295.427 2.213 10 0 CEAERO COCCN([C@H](c1ccc(C)o1)[C@@H](C)[NH3+])C1CC1 ZINC000043364911 175025570 /nfs/dbraw/zinc/02/55/70/175025570.db2.gz GEGAUGCNZZPDAT-RISCZKNCSA-N 1 0 252.358 2.087 10 0 CEAERO CC[C@H]([NH3+])[C@H](c1ccc(C)o1)N(CC)CC(=O)NC(C)C ZINC000043364988 175025848 /nfs/dbraw/zinc/02/58/48/175025848.db2.gz BNJATFIBMKIPRS-XJKSGUPXSA-N 1 0 295.427 2.213 10 0 CEAERO Cc1ccc([C@@H]([C@@H](C)[NH3+])N(CCO)C2CCCC2)o1 ZINC000043365200 175026569 /nfs/dbraw/zinc/02/65/69/175026569.db2.gz JREATOBTYMGGAC-IUODEOHRSA-N 1 0 266.385 2.213 10 0 CEAERO Cc1ccc([C@@H](C[NH3+])n2ccc(C(F)(F)F)n2)o1 ZINC000043365592 175027053 /nfs/dbraw/zinc/02/70/53/175027053.db2.gz GUSCDGUFQLZPRU-MRVPVSSYSA-N 1 0 259.231 2.351 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](N(C)[C@@H]1CCSC1)C(F)(F)F ZINC000043377123 175029945 /nfs/dbraw/zinc/02/99/45/175029945.db2.gz SNYWJBZAWLFJDW-IWSPIJDZSA-N 1 0 256.337 2.092 10 0 CEAERO CC[C@H]([NH3+])[C@H](N(C)Cc1ccncc1)C(F)(F)F ZINC000043377309 175029987 /nfs/dbraw/zinc/02/99/87/175029987.db2.gz XIYHCXCQJPOPFL-QWRGUYRKSA-N 1 0 261.291 2.182 10 0 CEAERO Cc1occc1CN(C)[C@@H]([C@@H](C)[NH3+])C(F)(F)F ZINC000043378256 175030392 /nfs/dbraw/zinc/03/03/92/175030392.db2.gz NFYJVFLEMRZRFQ-XCBNKYQSSA-N 1 0 250.264 2.298 10 0 CEAERO CCOC1CCN([C@H]([C@@H]([NH3+])CC)C(F)(F)F)CC1 ZINC000043377987 175030428 /nfs/dbraw/zinc/03/04/28/175030428.db2.gz XPXXHKRHCVUJSD-WDEREUQCSA-N 1 0 268.323 2.156 10 0 CEAERO CC[C@@H]([NH3+])[C@@H](Sc1nccn1C)C(F)(F)F ZINC000043385509 175032236 /nfs/dbraw/zinc/03/22/36/175032236.db2.gz ZSNDHUHAMBZXNX-RNFRBKRXSA-N 1 0 253.293 2.180 10 0 CEAERO Cc1cc(C)cc([C@@H](C[NH3+])N2CCOC(C)(C)C2)c1 ZINC000043394182 175035061 /nfs/dbraw/zinc/03/50/61/175035061.db2.gz RSHHECKYMUPWOJ-OAHLLOKOSA-N 1 0 262.397 2.414 10 0 CEAERO Cc1ccc(C(N)=S)c(NCC(C)(C)C[NH+](C)C)n1 ZINC000043396275 175036044 /nfs/dbraw/zinc/03/60/44/175036044.db2.gz OOASFLIFPKLOTK-UHFFFAOYSA-N 1 0 280.441 2.024 10 0 CEAERO Cc1ccc(C(N)=S)c(N[C@H](C[NH+](C)C)C(C)C)n1 ZINC000043396875 175036195 /nfs/dbraw/zinc/03/61/95/175036195.db2.gz AOVARFYHPRSDLK-GFCCVEGCSA-N 1 0 280.441 2.022 10 0 CEAERO C[NH2+][C@@H](CN1C[C@@H](C)O[C@@H](C)C1)c1cccc(OC)c1 ZINC000043811336 175110105 /nfs/dbraw/zinc/11/01/05/175110105.db2.gz LFDBERLTUQFCTF-ZENOOKHLSA-N 1 0 278.396 2.065 10 0 CEAERO CCCCN(CC)[C@H]1CC2(CC[C@@H]1[NH2+]CC)OCCO2 ZINC000043817638 175113041 /nfs/dbraw/zinc/11/30/41/175113041.db2.gz UELQGOILRWAPHK-GJZGRUSLSA-N 1 0 284.444 2.382 10 0 CEAERO CCCN(C1CC1)[C@H]1CC2(CC[C@@H]1[NH2+]CC)OCCO2 ZINC000043885619 175117025 /nfs/dbraw/zinc/11/70/25/175117025.db2.gz MBQLUKCJWRQMGE-GJZGRUSLSA-N 1 0 282.428 2.135 10 0 CEAERO CCCN(C)C[C@@H]([NH2+]C)c1ccc(OC)cc1OC ZINC000043885812 175117188 /nfs/dbraw/zinc/11/71/88/175117188.db2.gz BFNUOPMORARIOA-CQSZACIVSA-N 1 0 266.385 2.306 10 0 CEAERO C[NH2+][C@@H](CN1CCOC[C@@H]1C)c1cc(C)ccc1C ZINC000043891139 175118300 /nfs/dbraw/zinc/11/83/00/175118300.db2.gz YTGXQLWIMIEQRD-HOCLYGCPSA-N 1 0 262.397 2.285 10 0 CEAERO CC[C@H]1CN([C@@H]2CCc3ccccc3[C@@H]2[NH2+]C)CCO1 ZINC000043892956 175118647 /nfs/dbraw/zinc/11/86/47/175118647.db2.gz JVNYOPVFEKMMMH-UAGQMJEPSA-N 1 0 274.408 2.373 10 0 CEAERO CC[NH2+][C@H]1CCC2(C[C@@H]1N(C)C(CC)CC)OCCO2 ZINC000043896077 175119595 /nfs/dbraw/zinc/11/95/95/175119595.db2.gz BQTSUYDRHUTOJP-GJZGRUSLSA-N 1 0 284.444 2.381 10 0 CEAERO CC[NH2+][C@@H](CN1CCOC[C@@H]1CC)c1ccccc1OC ZINC000043899156 175121838 /nfs/dbraw/zinc/12/18/38/175121838.db2.gz DORQMTPVZTYFMR-HOCLYGCPSA-N 1 0 292.423 2.457 10 0 CEAERO CC[NH2+][C@@H]1CCCC[C@@H]1N1CCC(OCC)CC1 ZINC000043907411 175123367 /nfs/dbraw/zinc/12/33/67/175123367.db2.gz WLCPKPSGXISEPN-CABCVRRESA-N 1 0 254.418 2.408 10 0 CEAERO CC[C@@H]1CO[C@@H](C)CN1[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C ZINC000043913799 175124345 /nfs/dbraw/zinc/12/43/45/175124345.db2.gz PYSJQBJZIQHAFP-JFOHDYCDSA-N 1 0 274.408 2.371 10 0 CEAERO CCC[NH2+][C@@H]1CCCCC[C@@H]1N(CCOC)CCOC ZINC000043912895 175124624 /nfs/dbraw/zinc/12/46/24/175124624.db2.gz HMEYUYYFRXHLSC-CVEARBPZSA-N 1 0 286.460 2.282 10 0 CEAERO C[NH2+][C@@H](CN(C)CCOC)c1ccc(C)cc1C ZINC000043915429 175124912 /nfs/dbraw/zinc/12/49/12/175124912.db2.gz OLKSYPYEOQQRDJ-HNNXBMFYSA-N 1 0 250.386 2.142 10 0 CEAERO CCC[NH2+][C@H]1c2ccccc2OC[C@H]1N(C)CCOC ZINC000043916488 175125647 /nfs/dbraw/zinc/12/56/47/175125647.db2.gz KNWLTGYDKZLYIJ-ZBFHGGJFSA-N 1 0 278.396 2.067 10 0 CEAERO CCC[NH2+][C@@H]1CCCC[C@H]1N1CCOCC1(C)C ZINC000043965400 175126603 /nfs/dbraw/zinc/12/66/03/175126603.db2.gz QFVRYVADKMVUQU-ZIAGYGMSSA-N 1 0 254.418 2.408 10 0 CEAERO CC[NH2+][C@@H]1CCOC[C@@H]1N(C)C1CCC(C)CC1 ZINC000043967027 175128060 /nfs/dbraw/zinc/12/80/60/175128060.db2.gz NYXKTMKOGSFVRR-CVSAEHQPSA-N 1 0 254.418 2.264 10 0 CEAERO CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N(C)Cc1cnn(C)c1 ZINC000043967233 175128567 /nfs/dbraw/zinc/12/85/67/175128567.db2.gz IDEGHJQNIXUEFE-YUELXQCFSA-N 1 0 264.417 2.019 10 0 CEAERO C[NH2+][C@@H](c1ccccc1)[C@@H](C)N(C)Cc1cnn(C)c1 ZINC000043967126 175128591 /nfs/dbraw/zinc/12/85/91/175128591.db2.gz HTUHXKOUTZWSFQ-CZUORRHYSA-N 1 0 272.396 2.201 10 0 CEAERO C[NH2+][C@H](CN(CCOC)C1CC1)c1cc(C)ccc1OC ZINC000043969753 175131155 /nfs/dbraw/zinc/13/11/55/175131155.db2.gz DKAYYYGDEQHYMS-MRXNPFEDSA-N 1 0 292.423 2.375 10 0 CEAERO CC[NH2+][C@@H]1CCCCC[C@@H]1N(CCOC)C1CC1 ZINC000043969892 175131292 /nfs/dbraw/zinc/13/12/92/175131292.db2.gz AZZRDQSOUYUTTF-CABCVRRESA-N 1 0 254.418 2.408 10 0 CEAERO Brc1ccc(NC[C@H]2CCCC[NH2+]2)nc1 ZINC000044493356 175181428 /nfs/dbraw/zinc/18/14/28/175181428.db2.gz LGBQRSNLEBYTMC-SNVBAGLBSA-N 1 0 270.174 2.398 10 0 CEAERO COc1cc(CN2CCCC[C@H]2C[NH3+])cc(OC)c1OC ZINC000044539885 175200906 /nfs/dbraw/zinc/20/09/06/175200906.db2.gz BUVJJQUSBBRWNQ-ZDUSSCGKSA-N 1 0 294.395 2.026 10 0 CEAERO CCS(=O)(=O)CCOc1ccc2c(c1)CCC[C@@H]2[NH2+]C ZINC000044745339 175241560 /nfs/dbraw/zinc/24/15/60/175241560.db2.gz XRZAGYFGIRWITI-HNNXBMFYSA-N 1 0 297.420 2.097 10 0 CEAERO CC(C)(C[NH3+])C(=O)Nc1ccccc1OC(F)F ZINC000044751564 175245434 /nfs/dbraw/zinc/24/54/34/175245434.db2.gz WOTVULGUHMBNRN-UHFFFAOYSA-N 1 0 258.268 2.211 10 0 CEAERO CC(=O)Nc1ccc(NC(=O)C2(C[NH3+])CCCCC2)cc1 ZINC000044762261 175246518 /nfs/dbraw/zinc/24/65/18/175246518.db2.gz LTIXAHDRTXKDNG-UHFFFAOYSA-N 1 0 289.379 2.493 10 0 CEAERO CN(Cc1cccnc1)C(=O)C1(C[NH3+])CCCCCC1 ZINC000044762802 175246649 /nfs/dbraw/zinc/24/66/49/175246649.db2.gz SFLXUCHIZVIAQV-UHFFFAOYSA-N 1 0 275.396 2.339 10 0 CEAERO [NH3+]CC1(C(=O)N(CCO)C2CCCCC2)CCCCC1 ZINC000044764087 175248078 /nfs/dbraw/zinc/24/80/78/175248078.db2.gz INLZMZUJSZWRNM-UHFFFAOYSA-N 1 0 282.428 2.049 10 0 CEAERO [NH3+]CC1(C(=O)N(Cc2ccco2)C2CC2)CCCC1 ZINC000044764221 175248278 /nfs/dbraw/zinc/24/82/78/175248278.db2.gz DQWORDOYQFTVGX-UHFFFAOYSA-N 1 0 262.353 2.290 10 0 CEAERO CC1CCC(NC(=O)[C@H](C[NH3+])Cc2ccccc2)CC1 ZINC000044796563 175254733 /nfs/dbraw/zinc/25/47/33/175254733.db2.gz VSXPUACAYXCOFD-SIWZUTFBSA-N 1 0 274.408 2.499 10 0 CEAERO CCN(CC(C)C)C(=O)[C@@H](C[NH3+])Cc1ccccc1 ZINC000044800610 175255639 /nfs/dbraw/zinc/25/56/39/175255639.db2.gz LFCGEPISEFBNAH-OAHLLOKOSA-N 1 0 262.397 2.309 10 0 CEAERO CC(C)[C@@H](C[NH3+])C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000044806224 175256404 /nfs/dbraw/zinc/25/64/04/175256404.db2.gz XMYSORSRDFGMIT-ZWNOBZJWSA-N 1 0 252.333 2.234 10 0 CEAERO Cc1cc(N)ccc1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC000045064479 175298820 /nfs/dbraw/zinc/29/88/20/175298820.db2.gz SJEBDQZNVIMKJZ-UHFFFAOYSA-N 1 0 263.385 2.494 10 0 CEAERO CCC(C)(C)C1CCC([NH2+]CCCS(N)(=O)=O)CC1 ZINC000045065744 175299498 /nfs/dbraw/zinc/29/94/98/175299498.db2.gz YWVDVMIJHIGBGD-UHFFFAOYSA-N 1 0 290.473 2.250 10 0 CEAERO CC(C)C[C@H]1CSC(NCc2cnn(C)c2)=[NH+]1 ZINC000045136099 175313234 /nfs/dbraw/zinc/31/32/34/175313234.db2.gz YAIQIGHJQFEPSE-NSHDSACASA-N 1 0 252.387 2.027 10 0 CEAERO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(N)c2)C1 ZINC000045138093 175314603 /nfs/dbraw/zinc/31/46/03/175314603.db2.gz ORXJKLORUIKHTR-LBPRGKRZSA-N 1 0 276.384 2.121 10 0 CEAERO CC(C)[NH2+]Cc1ccc(S(=O)(=O)N[C@@H]2CC2(C)C)cc1 ZINC000045138389 175314616 /nfs/dbraw/zinc/31/46/16/175314616.db2.gz NHUCSTHDIUEJQJ-CQSZACIVSA-N 1 0 296.436 2.261 10 0 CEAERO CC(C)[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(N)c2)C1 ZINC000045138091 175314763 /nfs/dbraw/zinc/31/47/63/175314763.db2.gz ORXJKLORUIKHTR-GFCCVEGCSA-N 1 0 276.384 2.121 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]C2CCN(C)CC2)c1C ZINC000045169631 175320516 /nfs/dbraw/zinc/32/05/16/175320516.db2.gz WIFYXWDTMOIFDP-NSHDSACASA-N 1 0 264.417 2.265 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+][C@@H]2CCN(C3CC3)C2)c1C ZINC000045172778 175322477 /nfs/dbraw/zinc/32/24/77/175322477.db2.gz QJLGGUQMFLZATF-SMDDNHRTSA-N 1 0 276.428 2.407 10 0 CEAERO CCCC[N@H+](CC)C[C@](C)(NCCC)C(=O)OCC ZINC000045223302 175331256 /nfs/dbraw/zinc/33/12/56/175331256.db2.gz FOBFMTKDXZHAPI-HNNXBMFYSA-N 1 0 272.433 2.430 10 0 CEAERO CC[NH2+][C@](C)(CCN(CC)c1ccccc1C)C(N)=O ZINC000045223098 175331464 /nfs/dbraw/zinc/33/14/64/175331464.db2.gz SOPDHOZFEYUJIN-MRXNPFEDSA-N 1 0 277.412 2.065 10 0 CEAERO CCCN[C@](C)(CC[N@H+]1C[C@H](C)C[C@H](C)C1)C(=O)OC ZINC000045224675 175333125 /nfs/dbraw/zinc/33/31/25/175333125.db2.gz ZJHKLWPDGGJYGY-IJEWVQPXSA-N 1 0 284.444 2.286 10 0 CEAERO CCN[C@@](C[NH+](CC)CC)(C(=O)OC)c1ccccc1 ZINC000045226482 175333293 /nfs/dbraw/zinc/33/32/93/175333293.db2.gz BPCZBEWRFFVJLU-MRXNPFEDSA-N 1 0 278.396 2.006 10 0 CEAERO CCOC(=O)[C@@](C)(CC[NH+](CC)CC)NC(C)C ZINC000045226803 175333515 /nfs/dbraw/zinc/33/35/15/175333515.db2.gz CTBNNPALZPRPQB-CQSZACIVSA-N 1 0 258.406 2.038 10 0 CEAERO CC[NH+](CC)C[C@](NC1CC1)(C(=O)OC)c1ccccc1 ZINC000045226531 175333745 /nfs/dbraw/zinc/33/37/45/175333745.db2.gz VDMVROROEBMXLV-QGZVFWFLSA-N 1 0 290.407 2.149 10 0 CEAERO CCC[NH+](CCC)C[C@](C)(NCC)C(=O)OCC ZINC000045230316 175333927 /nfs/dbraw/zinc/33/39/27/175333927.db2.gz HQDZZTKLQRQTAY-AWEZNQCLSA-N 1 0 258.406 2.040 10 0 CEAERO CC[N@H+](C[C@@](NC)(C(=O)OC)c1ccccc1)C(C)C ZINC000045265387 175338291 /nfs/dbraw/zinc/33/82/91/175338291.db2.gz RHPDWFJNYIBDJQ-INIZCTEOSA-N 1 0 278.396 2.005 10 0 CEAERO CCCN[C@@](C)(CC[N@H+](CCC)C(C)C)C(=O)OC ZINC000045266941 175339242 /nfs/dbraw/zinc/33/92/42/175339242.db2.gz IURUWPXQCQGWFJ-HNNXBMFYSA-N 1 0 272.433 2.428 10 0 CEAERO CCCN[C@@](C[N@H+](CC)CCC)(C(N)=O)c1ccccc1 ZINC000045267469 175339541 /nfs/dbraw/zinc/33/95/41/175339541.db2.gz GMSNNYZNSWZQMJ-QGZVFWFLSA-N 1 0 291.439 2.099 10 0 CEAERO CCOC(=O)[C@@](C)(CC[N@H+](CC)C1CC1)NC(C)C ZINC000045267355 175339631 /nfs/dbraw/zinc/33/96/31/175339631.db2.gz BPYPBUPOFBCBIW-OAHLLOKOSA-N 1 0 270.417 2.181 10 0 CEAERO CCN[C@@](C)(CC[N@H+](C)C(CC)CC)C(=O)OCC ZINC000045269728 175341226 /nfs/dbraw/zinc/34/12/26/175341226.db2.gz PSVLTOUYSQKOCW-HNNXBMFYSA-N 1 0 272.433 2.428 10 0 CEAERO CC(C)N[C@](C)(CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(N)=O ZINC000045272168 175343156 /nfs/dbraw/zinc/34/31/56/175343156.db2.gz PLQIIMZVMKODMZ-ZMSDIMECSA-N 1 0 295.471 2.131 10 0 CEAERO CCOC(=O)[C@](C)(CC[N@H+](C)CC1CC1)NC(C)C ZINC000045273097 175343978 /nfs/dbraw/zinc/34/39/78/175343978.db2.gz VCCQBQOUSZWGRR-HNNXBMFYSA-N 1 0 270.417 2.038 10 0 CEAERO COC(=O)[C@@](N)(C[N@H+](C)[C@@H](C)C(C)(C)C)c1ccccc1 ZINC000045274640 175344957 /nfs/dbraw/zinc/34/49/57/175344957.db2.gz QLNVBQBTZVBFTD-SUMWQHHRSA-N 1 0 292.423 2.380 10 0 CEAERO COC(=O)[C@](C)(C[N@H+](C)[C@@H]1CCC[C@@H](C)C1)NC1CC1 ZINC000045276578 175346724 /nfs/dbraw/zinc/34/67/24/175346724.db2.gz WIEFTBFNCQYCNV-XPKDYRNWSA-N 1 0 282.428 2.181 10 0 CEAERO CCCN[C@](C)(C[N@H+](CCC)CC1CC1)C(=O)OCC ZINC000045276834 175346819 /nfs/dbraw/zinc/34/68/19/175346819.db2.gz IBPRPTXOWZNCCU-MRXNPFEDSA-N 1 0 284.444 2.430 10 0 CEAERO CCCCC[N@H+](C[C@](C)(N)C(=O)OCC)C(C)C ZINC000045278546 175348092 /nfs/dbraw/zinc/34/80/92/175348092.db2.gz LQQAAPKADSSJBV-AWEZNQCLSA-N 1 0 258.406 2.168 10 0 CEAERO CCN[C@](C)(CC[NH+]1CCC(CC)CC1)C(=O)OC ZINC000045281450 175352270 /nfs/dbraw/zinc/35/22/70/175352270.db2.gz OUKDMPIJKZOBPH-OAHLLOKOSA-N 1 0 270.417 2.040 10 0 CEAERO CCCN[C@](C)(C[N@H+](C)CC1CCCCC1)C(=O)OC ZINC000045281569 175352406 /nfs/dbraw/zinc/35/24/06/175352406.db2.gz PQGPKNIMAVIKQW-MRXNPFEDSA-N 1 0 284.444 2.430 10 0 CEAERO CCN[C@@](C)(CCCC[N@@H+]1CCC[C@@H]1C)C(=O)OC ZINC000045367785 175362983 /nfs/dbraw/zinc/36/29/83/175362983.db2.gz ZUDKPRQUGGCYQW-ZFWWWQNUSA-N 1 0 270.417 2.182 10 0 CEAERO CCN[C@H](C[NH+](C1CCCCC1)C1CCCCC1)C(N)=O ZINC000045369257 175363681 /nfs/dbraw/zinc/36/36/81/175363681.db2.gz WOPLIHYIGUPBGB-MRXNPFEDSA-N 1 0 295.471 2.417 10 0 CEAERO CC[N@H+](CCC[C@@](C)([NH3+])C(=O)[O-])C1CCCCC1 ZINC000045372044 175364045 /nfs/dbraw/zinc/36/40/45/175364045.db2.gz BUIHBZZHTJYVED-CQSZACIVSA-N 1 0 256.390 2.223 10 0 CEAERO CCCC[N@H+](CC)CCC[C@@](C)(NCC)C(=O)OC ZINC000045370692 175364201 /nfs/dbraw/zinc/36/42/01/175364201.db2.gz KASKLAGFLAWMFP-OAHLLOKOSA-N 1 0 272.433 2.430 10 0 CEAERO CN[C@@](C)(CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C(=O)OC ZINC000045373308 175364788 /nfs/dbraw/zinc/36/47/88/175364788.db2.gz UYNCAPTZYBQCLD-LZWOXQAQSA-N 1 0 284.444 2.286 10 0 CEAERO CC[NH+](CC)CCCC[C@@](C)(NC1CC1)C(=O)OC ZINC000045375875 175366295 /nfs/dbraw/zinc/36/62/95/175366295.db2.gz VCMVRKKAFBGCAK-OAHLLOKOSA-N 1 0 270.417 2.182 10 0 CEAERO CC(C)[NH2+][C@](C)(CCCN(C)c1ccccc1)C(N)=O ZINC000045376647 175366852 /nfs/dbraw/zinc/36/68/52/175366852.db2.gz KXRJBWUTRBNVNY-MRXNPFEDSA-N 1 0 277.412 2.145 10 0 CEAERO CCCN[C@](C)(CCCC[N@H+](C)C(C)C)C(=O)OC ZINC000045377987 175367501 /nfs/dbraw/zinc/36/75/01/175367501.db2.gz KYUCFXYNEHLCRB-OAHLLOKOSA-N 1 0 272.433 2.428 10 0 CEAERO CCC[NH+](CCC)CCCC[C@](C)(NC)C(=O)OC ZINC000045378514 175367622 /nfs/dbraw/zinc/36/76/22/175367622.db2.gz ZWAHJCYXHGXBOH-HNNXBMFYSA-N 1 0 272.433 2.430 10 0 CEAERO CCN[C@](C)(CCC[N@H+](C)C(C)C)C(=O)OCC ZINC000045378069 175367848 /nfs/dbraw/zinc/36/78/48/175367848.db2.gz CMELWNDBJTXZFO-CQSZACIVSA-N 1 0 258.406 2.038 10 0 CEAERO CCCN[C@@H](C[NH+]1[C@@H](C)CCC[C@@H]1C)C(=O)OCC ZINC000045379483 175368492 /nfs/dbraw/zinc/36/84/92/175368492.db2.gz XJFWUYAYRJHTPZ-IHRRRGAJSA-N 1 0 270.417 2.181 10 0 CEAERO CCN[C@](C)(CCC[N@H+](C)CC(C)C)C(=O)OCC ZINC000045381006 175369949 /nfs/dbraw/zinc/36/99/49/175369949.db2.gz IMBDXLBCMYJXDT-OAHLLOKOSA-N 1 0 272.433 2.286 10 0 CEAERO CC[N@H+](CCCC[C@@](C)(NC)C(=O)OC)CC(C)C ZINC000045381683 175369974 /nfs/dbraw/zinc/36/99/74/175369974.db2.gz YLLVOAAMZZIFRD-OAHLLOKOSA-N 1 0 272.433 2.286 10 0 CEAERO CCC[N@H+](C)CCC[C@](C)(NC1CC1)C(=O)OCC ZINC000045382419 175371090 /nfs/dbraw/zinc/37/10/90/175371090.db2.gz FNMKFMPTYKTNAX-HNNXBMFYSA-N 1 0 270.417 2.182 10 0 CEAERO CC[N@H+](CCC[C@](C)(NC1CC1)C(=O)OC)C(C)C ZINC000045383897 175371407 /nfs/dbraw/zinc/37/14/07/175371407.db2.gz BVXBDLCJPCMXKA-HNNXBMFYSA-N 1 0 270.417 2.181 10 0 CEAERO C[NH2+][C@@](C)(CCCC[N@H+](C)C1CCCC1)C(=O)[O-] ZINC000045384601 175371972 /nfs/dbraw/zinc/37/19/72/175371972.db2.gz SCBZQLKPTGOPLR-AWEZNQCLSA-N 1 0 256.390 2.094 10 0 CEAERO COC(=O)[C@](C)(CCC[N@H+](C)C1CCCC1)NC1CC1 ZINC000045384944 175372131 /nfs/dbraw/zinc/37/21/31/175372131.db2.gz LZRXQTOHQFJYQH-INIZCTEOSA-N 1 0 282.428 2.325 10 0 CEAERO CCC[N@H+](CC)CCC[C@@](C)(NC(C)C)C(=O)OC ZINC000045387126 175372748 /nfs/dbraw/zinc/37/27/48/175372748.db2.gz AXJSWRRUSDFUIZ-OAHLLOKOSA-N 1 0 272.433 2.428 10 0 CEAERO CCC(CC)[N@H+](C)CCC[C@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000045391544 175374311 /nfs/dbraw/zinc/37/43/11/175374311.db2.gz NYXUTGJQFWEFSF-HNNXBMFYSA-N 1 0 270.417 2.482 10 0 CEAERO CCCN[C@](C)(CCC[N@H+](C)[C@@H](C)C1CC1)C(=O)OC ZINC000045393037 175375622 /nfs/dbraw/zinc/37/56/22/175375622.db2.gz ALGLFBKIGYIOPA-XJKSGUPXSA-N 1 0 284.444 2.428 10 0 CEAERO CCN(CCC(F)(F)F)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000655431440 415267914 /nfs/dbraw/zinc/26/79/14/415267914.db2.gz LWJMQJPMBZBIPZ-JTQLQIEISA-N 1 0 266.307 2.177 10 0 CEAERO C[C@H](CO)[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[C@H](O)C1 ZINC000661444914 415268871 /nfs/dbraw/zinc/26/88/71/415268871.db2.gz XXHKDRWCWGWTIQ-KBXIAJHMSA-N 1 0 255.402 2.020 10 0 CEAERO Cc1ccccc1C1CC([NH2+]C[C@@H]2CC(=O)N(C)C2)C1 ZINC000658239242 415269650 /nfs/dbraw/zinc/26/96/50/415269650.db2.gz LJWCLZOTTOHOOL-NFOMZHRRSA-N 1 0 272.392 2.309 10 0 CEAERO Cc1cccc(CC[C@H](C)[NH2+]C[C@H]2CC(=O)N(C)C2)c1 ZINC000658246278 415280070 /nfs/dbraw/zinc/28/00/70/415280070.db2.gz YGMJZLRFSAUTJJ-GOEBONIOSA-N 1 0 274.408 2.384 10 0 CEAERO Cc1ccsc1[C@@H](C)[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000658245770 415280266 /nfs/dbraw/zinc/28/02/66/415280266.db2.gz VFWRHLYIAFNEEA-GHMZBOCLSA-N 1 0 252.383 2.185 10 0 CEAERO Cc1cccc(CC[C@@H](C)[NH2+]C[C@H]2CC(=O)N(C)C2)c1 ZINC000658246276 415281239 /nfs/dbraw/zinc/28/12/39/415281239.db2.gz YGMJZLRFSAUTJJ-GDBMZVCRSA-N 1 0 274.408 2.384 10 0 CEAERO Cc1ccsc1[C@@H](C)[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000658245771 415281689 /nfs/dbraw/zinc/28/16/89/415281689.db2.gz VFWRHLYIAFNEEA-MNOVXSKESA-N 1 0 252.383 2.185 10 0 CEAERO CCO[C@H]1C[C@H]([NH2+]C2CC(CO)C2)C12CCCCC2 ZINC000658355164 415336835 /nfs/dbraw/zinc/33/68/35/415336835.db2.gz GQGHKGAPHSABRY-WUCCLRPBSA-N 1 0 267.413 2.475 10 0 CEAERO O=S(=O)(Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC000058256080 175613845 /nfs/dbraw/zinc/61/38/45/175613845.db2.gz HLSPBIHEFUDJQJ-UHFFFAOYSA-N 1 0 273.785 2.007 10 0 CEAERO COc1ccccc1NC(=O)CSC1CC[NH2+]CC1 ZINC000058255730 175613955 /nfs/dbraw/zinc/61/39/55/175613955.db2.gz RESKBQZAYWROKX-UHFFFAOYSA-N 1 0 280.393 2.119 10 0 CEAERO CCCCOC[C@H](O)C[NH2+]CCc1ncc(C)cc1C ZINC000656154270 415614343 /nfs/dbraw/zinc/61/43/43/415614343.db2.gz UABWLGIVRGCOBC-OAHLLOKOSA-N 1 0 280.412 2.008 10 0 CEAERO COCC[NH2+]Cc1cc(Cl)ccc1O[C@@H](C)COC ZINC000070375770 175899239 /nfs/dbraw/zinc/89/92/39/175899239.db2.gz XMIUDYKMQQGFFC-NSHDSACASA-N 1 0 287.787 2.490 10 0 CEAERO FC(F)(F)[C@@]1(c2nc(-c3ccoc3)no2)CC[NH2+]C1 ZINC000070414107 175915363 /nfs/dbraw/zinc/91/53/63/175915363.db2.gz INVOGGZRNJNLQR-JTQLQIEISA-N 1 0 273.214 2.123 10 0 CEAERO CCN(c1cccc(F)c1)[C@]1(C[NH3+])CCCOC1 ZINC000070465148 175945528 /nfs/dbraw/zinc/94/55/28/175945528.db2.gz YBWORXWIKRXJFK-AWEZNQCLSA-N 1 0 252.333 2.160 10 0 CEAERO CCCN[C@H](C[NH+](CC1CC1)CC1CC1)C(=O)OCC ZINC000070506661 175959063 /nfs/dbraw/zinc/95/90/63/175959063.db2.gz BZHZPWPXVFGVQX-OAHLLOKOSA-N 1 0 282.428 2.040 10 0 CEAERO CO[C@H]1CCC[C@@H](OC[C@@](CO)([NH2+]C(C)C)C2CC2)C1 ZINC000070516518 175965384 /nfs/dbraw/zinc/96/53/84/175965384.db2.gz DHYZLWVPCQJVKI-ARFHVFGLSA-N 1 0 285.428 2.100 10 0 CEAERO C[C@](O)(C[NH3+])CCCSc1nnc(C2CC2)n1C1CC1 ZINC000070522097 175967770 /nfs/dbraw/zinc/96/77/70/175967770.db2.gz RMXSFLRTQGLYKP-CQSZACIVSA-N 1 0 296.440 2.072 10 0 CEAERO C[C@H]1CCC[C@H](CCNC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000070547768 175979695 /nfs/dbraw/zinc/97/96/95/175979695.db2.gz JTQLWYJQXJOYIT-UONOGXRCSA-N 1 0 282.428 2.075 10 0 CEAERO C[C@]1(c2cccc(C(F)(F)F)c2)C[C@]1(C[NH3+])CO ZINC000070553644 175982389 /nfs/dbraw/zinc/98/23/89/175982389.db2.gz LIHSHOFOLGFLBV-NEPJUHHUSA-N 1 0 259.271 2.304 10 0 CEAERO [NH3+][C@@H]1CCC[C@@H](C(=O)NCc2cc3c(s2)CCC3)C1 ZINC000070577310 175992910 /nfs/dbraw/zinc/99/29/10/175992910.db2.gz XGBXSPMZXVRQBW-VXGBXAGGSA-N 1 0 278.421 2.371 10 0 CEAERO C[NH2+]Cc1ccn(Cc2cccc(Br)c2)n1 ZINC000070708947 176002850 /nfs/dbraw/zinc/00/28/50/176002850.db2.gz IYAVBLVMWNQIED-UHFFFAOYSA-N 1 0 280.169 2.413 10 0 CEAERO COc1cccc(OC)c1C(=O)N(CC[NH3+])C1CCCC1 ZINC000070943666 176016610 /nfs/dbraw/zinc/01/66/10/176016610.db2.gz AAKKSPIIMWNOAK-UHFFFAOYSA-N 1 0 292.379 2.047 10 0 CEAERO [NH3+]CCN(C(=O)CCc1ccccc1)C1CCCC1 ZINC000070943686 176016640 /nfs/dbraw/zinc/01/66/40/176016640.db2.gz JNBBGPFPTKLMTB-UHFFFAOYSA-N 1 0 260.381 2.349 10 0 CEAERO [NH3+][C@H]1CCC(=O)N(C2CC2)[C@H]1c1ccc2ncccc2c1 ZINC000070987270 176018480 /nfs/dbraw/zinc/01/84/80/176018480.db2.gz XBYYVNCGAAUONO-YOEHRIQHSA-N 1 0 281.359 2.388 10 0 CEAERO CC(C)[NH2+][C@H]1CCCN(Cc2ccsc2)C1=O ZINC000071031392 176022690 /nfs/dbraw/zinc/02/26/90/176022690.db2.gz RKFADBCKQLPKQW-LBPRGKRZSA-N 1 0 252.383 2.237 10 0 CEAERO CC[NH2+][C@@H]1CCCN([C@H](C)c2ccccc2F)C1=O ZINC000071031922 176023012 /nfs/dbraw/zinc/02/30/12/176023012.db2.gz ARZSASWYJSHKDV-BXUZGUMPSA-N 1 0 264.344 2.487 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN([C@H]2C[C@@H]2c2ccccc2)C1=O ZINC000071031684 176023015 /nfs/dbraw/zinc/02/30/15/176023015.db2.gz DDWPMADZAHUROW-KFWWJZLASA-N 1 0 258.365 2.141 10 0 CEAERO CCC[NH2+][C@H]1CCCN(Cc2ccccc2F)C1=O ZINC000071032829 176023386 /nfs/dbraw/zinc/02/33/86/176023386.db2.gz QLCGLFNAWLQNKV-AWEZNQCLSA-N 1 0 264.344 2.316 10 0 CEAERO CCC[NH2+][C@@H]1CCCN(Cc2ccc(F)cc2)C1=O ZINC000071033383 176023808 /nfs/dbraw/zinc/02/38/08/176023808.db2.gz NVFXBBFKQNATTA-CQSZACIVSA-N 1 0 264.344 2.316 10 0 CEAERO CC(C)[NH2+][C@H]1CCCN(CCc2ccccc2)C1=O ZINC000071033102 176023845 /nfs/dbraw/zinc/02/38/45/176023845.db2.gz DSCPSEQZMBHMJF-HNNXBMFYSA-N 1 0 260.381 2.218 10 0 CEAERO CC(C)[NH2+][C@H]1CCN(CCc2ccc(Cl)cc2)C1=O ZINC000071034427 176024630 /nfs/dbraw/zinc/02/46/30/176024630.db2.gz LDHATBACCKFUTE-AWEZNQCLSA-N 1 0 280.799 2.481 10 0 CEAERO CCc1cccc(C)c1N1CC[C@@H]([NH2+]C2CC2)C1=O ZINC000071035857 176025615 /nfs/dbraw/zinc/02/56/15/176025615.db2.gz SOIKKKGETDARPO-CQSZACIVSA-N 1 0 258.365 2.415 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN([C@H](C)CCc2ccco2)C1=O ZINC000071036749 176025820 /nfs/dbraw/zinc/02/58/20/176025820.db2.gz OOIGCWSLKICKND-TZMCWYRMSA-N 1 0 264.369 2.200 10 0 CEAERO CCC[NH2+][C@@H]1CCCN(Cc2ccccc2OC)C1=O ZINC000071038033 176026348 /nfs/dbraw/zinc/02/63/48/176026348.db2.gz QAWISCHEDLETPD-CQSZACIVSA-N 1 0 276.380 2.186 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN(c2cccc3cccnc32)C1=O ZINC000071037584 176026510 /nfs/dbraw/zinc/02/65/10/176026510.db2.gz ZOGKMTBYQSAIFA-CYBMUJFWSA-N 1 0 269.348 2.338 10 0 CEAERO COc1ccc(CCN2CCC[C@H]([NH2+]C(C)C)C2=O)cc1 ZINC000071037674 176026790 /nfs/dbraw/zinc/02/67/90/176026790.db2.gz SWCYKLGPQVNLMN-INIZCTEOSA-N 1 0 290.407 2.227 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCN1Cc1ccc(Cl)cc1 ZINC000071038660 176027116 /nfs/dbraw/zinc/02/71/16/176027116.db2.gz FSKMHZWSWJAKTO-CYBMUJFWSA-N 1 0 264.756 2.193 10 0 CEAERO CC(C)[NH2+][C@H]1CCCN(CCc2ccccc2F)C1=O ZINC000071038353 176027120 /nfs/dbraw/zinc/02/71/20/176027120.db2.gz MTDBIYGTKDDVDC-HNNXBMFYSA-N 1 0 278.371 2.357 10 0 CEAERO CC(C)[NH2+][C@H]1CCCN([C@H](C)c2ccco2)C1=O ZINC000071040127 176027572 /nfs/dbraw/zinc/02/75/72/176027572.db2.gz KMLHWRUZROZNHE-NEPJUHHUSA-N 1 0 250.342 2.330 10 0 CEAERO CC(C)[NH2+][C@H]1CCCN([C@@H](C)c2ccncc2)C1=O ZINC000071040173 176027614 /nfs/dbraw/zinc/02/76/14/176027614.db2.gz NCTHRBXBLSTGSB-JSGCOSHPSA-N 1 0 261.369 2.132 10 0 CEAERO CCCOc1ccc(N2CCC[C@H]([NH2+]C)C2=O)cc1 ZINC000071041905 176027939 /nfs/dbraw/zinc/02/79/39/176027939.db2.gz REAHQHHKEJQDFZ-AWEZNQCLSA-N 1 0 262.353 2.190 10 0 CEAERO O=C1[C@@H]([NH2+]C2CC2)CCCN1c1ccc2ncccc2c1 ZINC000071042581 176028457 /nfs/dbraw/zinc/02/84/57/176028457.db2.gz FLHKYVGVFQPHOF-INIZCTEOSA-N 1 0 281.359 2.482 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCCN1[C@H]1CCc2ccccc2C1 ZINC000071041976 176028480 /nfs/dbraw/zinc/02/84/80/176028480.db2.gz DQADALZXGMWKSR-DLBZAZTESA-N 1 0 284.403 2.287 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCCN1[C@@H]1CCc2ccccc2C1 ZINC000071041978 176028482 /nfs/dbraw/zinc/02/84/82/176028482.db2.gz DQADALZXGMWKSR-IAGOWNOFSA-N 1 0 284.403 2.287 10 0 CEAERO O=C1[C@H]([NH2+]C2CC2)CCN1Cc1cccc(Cl)c1 ZINC000071042468 176028704 /nfs/dbraw/zinc/02/87/04/176028704.db2.gz IQLQXVQULNZZNV-CYBMUJFWSA-N 1 0 264.756 2.193 10 0 CEAERO CC[NH2+][C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000071042052 176028786 /nfs/dbraw/zinc/02/87/86/176028786.db2.gz ADURAVXWMVPLPH-CYBMUJFWSA-N 1 0 268.307 2.065 10 0 CEAERO CC[NH2+][C@@H]1CCCN([C@H](C)c2ccsc2)C1=O ZINC000071042826 176028948 /nfs/dbraw/zinc/02/89/48/176028948.db2.gz FUIQSZGPQRWHRB-ZYHUDNBSSA-N 1 0 252.383 2.410 10 0 CEAERO CC(C)[NH2+][C@@H]1CCN([C@H]2CCOc3ccccc32)C1=O ZINC000071043226 176029055 /nfs/dbraw/zinc/02/90/55/176029055.db2.gz DPCXOSIKECIKPP-KGLIPLIRSA-N 1 0 274.364 2.109 10 0 CEAERO C[C@H](Cc1cccs1)N1CCC[C@H]([NH2+]C2CC2)C1=O ZINC000071043837 176029592 /nfs/dbraw/zinc/02/95/92/176029592.db2.gz ADJPGVBMMQLLPY-RISCZKNCSA-N 1 0 278.421 2.422 10 0 CEAERO CC(C)[NH2+]CCN(C)C[C@@H]1OCCc2ccccc21 ZINC000071091583 176031923 /nfs/dbraw/zinc/03/19/23/176031923.db2.gz NWORECOKJNAGAT-INIZCTEOSA-N 1 0 262.397 2.230 10 0 CEAERO c1ccc2c(c1)CCO[C@@H]2COC[C@@H]1CCC[NH2+]C1 ZINC000071091872 176032037 /nfs/dbraw/zinc/03/20/37/176032037.db2.gz QFHOLTBCBGAYQD-CZUORRHYSA-N 1 0 261.365 2.317 10 0 CEAERO Cc1nn(C[C@H]2OCCc3ccccc32)c(C)c1CC[NH3+] ZINC000071099165 176032414 /nfs/dbraw/zinc/03/24/14/176032414.db2.gz OZECLLSWIFOXDJ-QGZVFWFLSA-N 1 0 285.391 2.315 10 0 CEAERO CC[C@@H]1CCC[C@@H](O[C@@H](C[NH3+])c2cnn(C)c2)C1 ZINC000071130592 176035999 /nfs/dbraw/zinc/03/59/99/176035999.db2.gz AWTVCQRTOQJJIB-BNOWGMLFSA-N 1 0 251.374 2.405 10 0 CEAERO CCC[NH2+][C@@H](c1ccc(CCOC)cc1)[C@@H]1COCCO1 ZINC000071138254 176036855 /nfs/dbraw/zinc/03/68/55/176036855.db2.gz ZIJWMCYNXHHJEO-IRXDYDNUSA-N 1 0 293.407 2.332 10 0 CEAERO C[C@H]1CCC[C@@H]([NH+]2CCN(C(C)(C)C(N)=S)CC2)C1 ZINC000071148300 176044059 /nfs/dbraw/zinc/04/40/59/176044059.db2.gz SKGSLTRGDRHGNU-QWHCGFSZSA-N 1 0 283.485 2.247 10 0 CEAERO CC[C@H]1CCC[C@@H](Sc2nnc(C[NH3+])n2C)C1 ZINC000071150247 176045290 /nfs/dbraw/zinc/04/52/90/176045290.db2.gz CSRWJPQQPZJBCL-VHSXEESVSA-N 1 0 254.403 2.335 10 0 CEAERO CC[C@@H]1CCCC[C@]1(C[NH3+])N1CCOC(C)(C)C1 ZINC000071161681 176046342 /nfs/dbraw/zinc/04/63/42/176046342.db2.gz YHGFTGBQXCWXIA-UKRRQHHQSA-N 1 0 254.418 2.395 10 0 CEAERO COc1ccc(C[C@@](C)(CN)[N@@H+]2CCC[C@@H]2C)cc1 ZINC000071169151 176050025 /nfs/dbraw/zinc/05/00/25/176050025.db2.gz YMKGLLQIMHAYGF-BBRMVZONSA-N 1 0 262.397 2.439 10 0 CEAERO [NH3+]Cc1cnc(O[C@H]2CCCc3ccccc32)cn1 ZINC000071178317 176055855 /nfs/dbraw/zinc/05/58/55/176055855.db2.gz VGEAJZFMVHVEKH-AWEZNQCLSA-N 1 0 255.321 2.392 10 0 CEAERO CN1CC[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2)C1=O ZINC000071183421 176058413 /nfs/dbraw/zinc/05/84/13/176058413.db2.gz ZBFAIPVAWCHHQZ-LLVKDONJSA-N 1 0 272.270 2.026 10 0 CEAERO CN1CC[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)C1=O ZINC000071183420 176058593 /nfs/dbraw/zinc/05/85/93/176058593.db2.gz ZBFAIPVAWCHHQZ-NSHDSACASA-N 1 0 272.270 2.026 10 0 CEAERO CCNc1c(F)cccc1C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071193195 176075236 /nfs/dbraw/zinc/07/52/36/176075236.db2.gz CVCWXIIEHBMPFM-GFCCVEGCSA-N 1 0 293.386 2.281 10 0 CEAERO CCC[NH2+][C@H]1CCCN(CCc2cscn2)C1 ZINC000071199830 176077161 /nfs/dbraw/zinc/07/71/61/176077161.db2.gz WSZQGCLLHDEIRH-LBPRGKRZSA-N 1 0 253.415 2.150 10 0 CEAERO COc1cc([C@H]2C[NH2+][C@@H](C)C2)cc(OC)c1OC ZINC000071202253 176078273 /nfs/dbraw/zinc/07/82/73/176078273.db2.gz IIWSCBHKLPZPDT-GXSJLCMTSA-N 1 0 251.326 2.178 10 0 CEAERO C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC(=O)N(C2CCCCC2)C1=O ZINC000071207062 176080422 /nfs/dbraw/zinc/08/04/22/176080422.db2.gz DWIUBHVRRRACNI-MRVWCRGKSA-N 1 0 278.396 2.225 10 0 CEAERO C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000071207040 176080599 /nfs/dbraw/zinc/08/05/99/176080599.db2.gz LQCRLCZCYSJLSB-MRVWCRGKSA-N 1 0 272.348 2.097 10 0 CEAERO CC[NH2+]Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@H]2C)cc1 ZINC000071209988 176082100 /nfs/dbraw/zinc/08/21/00/176082100.db2.gz HXMQTPDJYOYGOQ-DOMZBBRYSA-N 1 0 296.436 2.263 10 0 CEAERO CC(C)(C)[C@H]([NH3+])Cn1cc(C(F)(F)F)ccc1=O ZINC000071211991 176083806 /nfs/dbraw/zinc/08/38/06/176083806.db2.gz XXMXDEZBKVIRFC-SECBINFHSA-N 1 0 262.275 2.241 10 0 CEAERO O=c1ccc(C(F)(F)F)cn1CC[NH2+]Cc1ccccn1 ZINC000071212135 176083815 /nfs/dbraw/zinc/08/38/15/176083815.db2.gz JUQMLNUGHFALAP-UHFFFAOYSA-N 1 0 297.280 2.052 10 0 CEAERO Cc1ncsc1CN[C@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000071212669 176084390 /nfs/dbraw/zinc/08/43/90/176084390.db2.gz FDKWPOUUMXYZEK-ZYHUDNBSSA-N 1 0 253.415 2.271 10 0 CEAERO CCC[NH2+]C[C@H]1CCN(Cc2scnc2C)C1 ZINC000071213157 176084654 /nfs/dbraw/zinc/08/46/54/176084654.db2.gz GLOVOXCZNOHVEK-GFCCVEGCSA-N 1 0 253.415 2.273 10 0 CEAERO Cc1ncsc1C[NH2+]C[C@@H]1CNc2ccccc2O1 ZINC000071213742 176085419 /nfs/dbraw/zinc/08/54/19/176085419.db2.gz MCBRIKNANDDFHZ-LLVKDONJSA-N 1 0 275.377 2.414 10 0 CEAERO COCCN(CCC[NH3+])C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000071222773 176087984 /nfs/dbraw/zinc/08/79/84/176087984.db2.gz JXVKBXCEXXMUOA-UHFFFAOYSA-N 1 0 294.439 2.027 10 0 CEAERO COCCN(CCC[NH3+])c1ccc2ccccc2n1 ZINC000071223585 176088587 /nfs/dbraw/zinc/08/85/87/176088587.db2.gz JTQBPSIGVLXFGH-UHFFFAOYSA-N 1 0 259.353 2.036 10 0 CEAERO CC[C@H]1CO[C@@H](C)CN1Cc1ccc(F)cc1C[NH3+] ZINC000071250563 176094863 /nfs/dbraw/zinc/09/48/63/176094863.db2.gz AKGBGQSFIGVNTO-NHYWBVRUSA-N 1 0 266.360 2.284 10 0 CEAERO C[N@@H+](Cc1ccc(F)cc1C(N)=S)C[C@@H]1CCCO1 ZINC000071265937 176099065 /nfs/dbraw/zinc/09/90/65/176099065.db2.gz BJLTZIRRJFHKAY-LBPRGKRZSA-N 1 0 282.384 2.071 10 0 CEAERO NC(=[NH2+])c1cc(F)ccc1Cn1cc(Br)cn1 ZINC000071268078 176101538 /nfs/dbraw/zinc/10/15/38/176101538.db2.gz CIRKKQXIAKNHTC-UHFFFAOYSA-N 1 0 297.131 2.117 10 0 CEAERO NC(=[NH2+])c1cc(F)ccc1CSc1ncccn1 ZINC000071268404 176102106 /nfs/dbraw/zinc/10/21/06/176102106.db2.gz QQPBDWJEENGLMU-UHFFFAOYSA-N 1 0 262.313 2.192 10 0 CEAERO CC(C)Cc1ccc([C@H](O)C[NH2+]Cc2nccn2C)cc1 ZINC000071274115 176105838 /nfs/dbraw/zinc/10/58/38/176105838.db2.gz HIIHLHOPPHPPDI-MRXNPFEDSA-N 1 0 287.407 2.442 10 0 CEAERO C[NH2+][C@H](C)c1ccc(NC(=O)NCc2nccn2C)cc1 ZINC000071274497 176106395 /nfs/dbraw/zinc/10/63/95/176106395.db2.gz MNYCYYGKQGHZMJ-LLVKDONJSA-N 1 0 287.367 2.022 10 0 CEAERO CCCc1[nH+]c2cc(N)ccc2n1Cc1nccn1C ZINC000071275909 176106598 /nfs/dbraw/zinc/10/65/98/176106598.db2.gz AIWYNJXPGUORRG-UHFFFAOYSA-N 1 0 269.352 2.353 10 0 CEAERO CCOC(=O)CCCCC[NH2+]CCN(CC)CC ZINC000071293065 176111056 /nfs/dbraw/zinc/11/10/56/176111056.db2.gz GDGTWKRLIRKYIS-UHFFFAOYSA-N 1 0 258.406 2.041 10 0 CEAERO CCOC(=O)CCCCC[NH2+][C@H](C)CN(CC)CC ZINC000071293994 176111495 /nfs/dbraw/zinc/11/14/95/176111495.db2.gz UFNSKRDDBFKDFL-CQSZACIVSA-N 1 0 272.433 2.430 10 0 CEAERO CCN([C@@H](C)c1ccc2c(c1)OCCO2)[C@@H]1CC[NH2+]C1 ZINC000071311915 176118763 /nfs/dbraw/zinc/11/87/63/176118763.db2.gz XUJILWDAOCIMMC-GXTWGEPZSA-N 1 0 276.380 2.203 10 0 CEAERO CCCN(Cc1nc2ccccc2o1)[C@H]1CC[NH2+]C1 ZINC000071331680 176125366 /nfs/dbraw/zinc/12/53/66/176125366.db2.gz WEIUFHJEXQOUSE-LBPRGKRZSA-N 1 0 259.353 2.402 10 0 CEAERO CCCN(Cc1nc2ccccc2o1)[C@@H]1CC[NH2+]C1 ZINC000071331678 176125391 /nfs/dbraw/zinc/12/53/91/176125391.db2.gz WEIUFHJEXQOUSE-GFCCVEGCSA-N 1 0 259.353 2.402 10 0 CEAERO CCOc1ccccc1C(=O)NC[C@H]1[NH2+]CCC[C@H]1C ZINC000071338484 176128725 /nfs/dbraw/zinc/12/87/25/176128725.db2.gz YKZWDDSSUWBBJQ-TZMCWYRMSA-N 1 0 276.380 2.203 10 0 CEAERO COc1cccc(NC(=O)NC[C@@H]2[NH2+]CCC[C@@H]2C)c1 ZINC000071338986 176129470 /nfs/dbraw/zinc/12/94/70/176129470.db2.gz OGBFIWCDHFWPBX-FZMZJTMJSA-N 1 0 277.368 2.205 10 0 CEAERO C[C@H]1CCC[NH2+][C@@H]1CNC(=O)Nc1ccc(F)cc1 ZINC000071338946 176129530 /nfs/dbraw/zinc/12/95/30/176129530.db2.gz OTHKSRUBEWMADN-GXFFZTMASA-N 1 0 265.332 2.335 10 0 CEAERO CC1(C)CN(Cc2cn3ccccc3n2)[C@@H](C2CC2)C[NH2+]1 ZINC000071342825 176130520 /nfs/dbraw/zinc/13/05/20/176130520.db2.gz XPDSURXSRHKQIM-OAHLLOKOSA-N 1 0 284.407 2.297 10 0 CEAERO CCC[C@@H]1C[NH2+][C@@H](CC)CN1Cc1cccc(OC)n1 ZINC000071343575 176130742 /nfs/dbraw/zinc/13/07/42/176130742.db2.gz RZIMNOLONGLCGM-DZGCQCFKSA-N 1 0 277.412 2.443 10 0 CEAERO CCC1(CC)CNC(C)(C)C[N@@H+]1CCn1ccnc1C ZINC000071343193 176131139 /nfs/dbraw/zinc/13/11/39/176131139.db2.gz ZZNCLSWZBIOHLT-UHFFFAOYSA-N 1 0 278.444 2.434 10 0 CEAERO CCC[C@@H]1C[NH2+][C@H](CC)CN1Cc1cccc(OC)n1 ZINC000071343573 176131177 /nfs/dbraw/zinc/13/11/77/176131177.db2.gz RZIMNOLONGLCGM-UKRRQHHQSA-N 1 0 277.412 2.443 10 0 CEAERO CC(C)(C)[C@@H]1C[N@H+](CCCn2ccnc2)[C@H](C2CC2)CN1 ZINC000071347786 176132025 /nfs/dbraw/zinc/13/20/25/176132025.db2.gz YHMZPRANSGYNFX-HOTGVXAUSA-N 1 0 290.455 2.372 10 0 CEAERO CC[C@@]1(C)C[NH2+][C@H](C(C)(C)C)CN1Cc1cnn(C)c1 ZINC000071348649 176132664 /nfs/dbraw/zinc/13/26/64/176132664.db2.gz DFYSUOZOOYPCJF-HOCLYGCPSA-N 1 0 278.444 2.409 10 0 CEAERO CC[C@H](C)[C@@H]1CN(CCOCCOC)[C@@](C)(C2CC2)C[NH2+]1 ZINC000071356363 176136817 /nfs/dbraw/zinc/13/68/17/176136817.db2.gz CIPVJWRMEGOAPE-BHYGNILZSA-N 1 0 298.471 2.138 10 0 CEAERO CC[C@@H](C)[C@H]1CN(Cc2cnn(C)c2)[C@@](C)(CC)C[NH2+]1 ZINC000071355984 176136873 /nfs/dbraw/zinc/13/68/73/176136873.db2.gz PQZOIIKNRLTONW-BMFZPTHFSA-N 1 0 278.444 2.409 10 0 CEAERO CC[C@@]1(C)CN(CCOCC(F)(F)F)[C@H](C2CC2)C[NH2+]1 ZINC000071357305 176137954 /nfs/dbraw/zinc/13/79/54/176137954.db2.gz IPOQLHRHDZRMRN-STQMWFEESA-N 1 0 294.361 2.418 10 0 CEAERO CCn1c(C[NH3+])nnc1SCc1ccccc1F ZINC000071374622 176139820 /nfs/dbraw/zinc/13/98/20/176139820.db2.gz ALVUSMVLXJXNNL-UHFFFAOYSA-N 1 0 266.345 2.188 10 0 CEAERO C[N@H+](CCNC(=O)c1ccc(N)cc1F)C1CCCC1 ZINC000071376537 176141161 /nfs/dbraw/zinc/14/11/61/176141161.db2.gz XRWHWOAYPXUXES-UHFFFAOYSA-N 1 0 279.359 2.012 10 0 CEAERO C[N@H+](CCNC(=O)c1cc(F)c(N)c(F)c1)C1CCCC1 ZINC000071380001 176144211 /nfs/dbraw/zinc/14/42/11/176144211.db2.gz IMWIXJGGOJHSMQ-UHFFFAOYSA-N 1 0 297.349 2.151 10 0 CEAERO Cc1ccc(N)c(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000071383231 176146510 /nfs/dbraw/zinc/14/65/10/176146510.db2.gz YPRNOLMRUSWYQS-AWEZNQCLSA-N 1 0 287.407 2.278 10 0 CEAERO NC(=O)c1cc2ccccc2nc1N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000071386025 176147600 /nfs/dbraw/zinc/14/76/00/176147600.db2.gz LOXSOQDUECQRNB-GXTWGEPZSA-N 1 0 284.363 2.016 10 0 CEAERO CCCn1cc(Cl)cc1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000071396978 176150404 /nfs/dbraw/zinc/15/04/04/176150404.db2.gz ZYAOFOZMHNVYSF-LLVKDONJSA-N 1 0 269.776 2.033 10 0 CEAERO C[NH2+]Cc1ccc(O[C@H](C)C(=O)OC)c(C(F)(F)F)c1 ZINC000071398480 176151898 /nfs/dbraw/zinc/15/18/98/176151898.db2.gz KBCVTVUAVJKMLP-MRVPVSSYSA-N 1 0 291.269 2.365 10 0 CEAERO CCC(CC)N(CCO)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000071401231 176153502 /nfs/dbraw/zinc/15/35/02/176153502.db2.gz KEEDFWFFIOPXMW-INIZCTEOSA-N 1 0 292.423 2.476 10 0 CEAERO [NH3+][C@H](CCC(=O)NC1(CO)CCCCC1)c1ccccc1 ZINC000071401429 176153733 /nfs/dbraw/zinc/15/37/33/176153733.db2.gz MPCXBVYBHNITFK-OAHLLOKOSA-N 1 0 290.407 2.278 10 0 CEAERO CCCNC(=O)[C@H](C)Oc1ccc(C)cc1C[NH2+]CC ZINC000071406049 176155776 /nfs/dbraw/zinc/15/57/76/176155776.db2.gz XMUIXYSZHGDHFT-ZDUSSCGKSA-N 1 0 278.396 2.398 10 0 CEAERO Cc1ccc(O[C@H]2CCOC2=O)c(C[NH2+]C(C)C)c1 ZINC000071406603 176155918 /nfs/dbraw/zinc/15/59/18/176155918.db2.gz GBXSUZDGAZUSRD-AWEZNQCLSA-N 1 0 263.337 2.187 10 0 CEAERO CNC(=O)COc1ccc(C)cc1C[NH2+]C(C)(C)C ZINC000071407210 176156292 /nfs/dbraw/zinc/15/62/92/176156292.db2.gz QXRHJRLOROWPCL-UHFFFAOYSA-N 1 0 264.369 2.008 10 0 CEAERO Cc1ccc(O[C@H](C)C(=O)NCC(C)C)c(CC[NH3+])c1 ZINC000071411256 176157003 /nfs/dbraw/zinc/15/70/03/176157003.db2.gz IEYPEZMZTVSWLX-CYBMUJFWSA-N 1 0 278.396 2.036 10 0 CEAERO CCOC(=O)[C@H](C)Oc1ccc(C)cc1C[C@H](C)[NH3+] ZINC000071411794 176157247 /nfs/dbraw/zinc/15/72/47/176157247.db2.gz BLMSJHOXIRRTGW-RYUDHWBXSA-N 1 0 265.353 2.215 10 0 CEAERO CN1C[C@@H](CC[NH3+])c2cc(Br)ccc21 ZINC000071483993 176189005 /nfs/dbraw/zinc/18/90/05/176189005.db2.gz VTQGLRGRDONTRO-MRVPVSSYSA-N 1 0 255.159 2.331 10 0 CEAERO CN1C[C@H](CC[NH3+])c2cccc(Br)c21 ZINC000071484034 176189121 /nfs/dbraw/zinc/18/91/21/176189121.db2.gz PBVPYAVZYCUFTD-QMMMGPOBSA-N 1 0 255.159 2.331 10 0 CEAERO CCCCN(C)C(=O)c1nc2ccccn2c1C[NH+](C)C ZINC000071553688 176197017 /nfs/dbraw/zinc/19/70/17/176197017.db2.gz BDSDLGVDCPRHPI-UHFFFAOYSA-N 1 0 288.395 2.268 10 0 CEAERO CO[C@@](C)(C[NH3+])c1cc(Br)cs1 ZINC000071571767 176197521 /nfs/dbraw/zinc/19/75/21/176197521.db2.gz FLKBRCFBJQACHV-QMMMGPOBSA-N 1 0 250.161 2.331 10 0 CEAERO C[NH2+][C@@H](C(=O)c1ccc(OC)cc1OC)C(C)C ZINC000071573116 176199804 /nfs/dbraw/zinc/19/98/04/176199804.db2.gz KGJALICRJFBRAI-CYBMUJFWSA-N 1 0 251.326 2.131 10 0 CEAERO CCc1cccc(OCc2nc(CC[NH3+])cn2C)c1 ZINC000071585617 176211271 /nfs/dbraw/zinc/21/12/71/176211271.db2.gz QLLLXANHMACPJU-UHFFFAOYSA-N 1 0 259.353 2.063 10 0 CEAERO CCOc1ccc(C[C@H]([NH3+])CN2CCCCC2)cc1 ZINC000071589196 176217447 /nfs/dbraw/zinc/21/74/47/176217447.db2.gz RIPZXHSYLAICNV-HNNXBMFYSA-N 1 0 262.397 2.441 10 0 CEAERO CCCOc1ccc(CCN2CCC[NH2+]CC2)cc1 ZINC000071594577 176217745 /nfs/dbraw/zinc/21/77/45/176217745.db2.gz KMJSRAIUYRAJAD-UHFFFAOYSA-N 1 0 262.397 2.313 10 0 CEAERO COc1ccc([C@@H](O)[C@@H](C)[NH2+]C(C)C)c(OC)c1C ZINC000071599198 176223437 /nfs/dbraw/zinc/22/34/37/176223437.db2.gz ZIRJXZVICYOYPL-RISCZKNCSA-N 1 0 267.369 2.432 10 0 CEAERO [NH3+]Cc1ccc(-c2cc(Br)cs2)nn1 ZINC000071601257 176228298 /nfs/dbraw/zinc/22/82/98/176228298.db2.gz BUJZUNHFXHMTFX-UHFFFAOYSA-N 1 0 270.155 2.426 10 0 CEAERO O[C@@H](C[NH2+]C1CC1)Cc1cccc(Br)c1 ZINC000071601380 176228430 /nfs/dbraw/zinc/22/84/30/176228430.db2.gz IVNXBNGOEAAZRH-GFCCVEGCSA-N 1 0 270.170 2.105 10 0 CEAERO Cc1cc(Br)ccc1-n1cc(CC[NH3+])cn1 ZINC000071630728 176236571 /nfs/dbraw/zinc/23/65/71/176236571.db2.gz RFHSJKNBJMTIDQ-UHFFFAOYSA-N 1 0 280.169 2.444 10 0 CEAERO CC[C@H](O)[NH2+]C1(C)CCN(CC(=O)c2cccs2)CC1 ZINC000071973262 176306079 /nfs/dbraw/zinc/30/60/79/176306079.db2.gz RBOMKRYHHYXNSW-AWEZNQCLSA-N 1 0 296.436 2.103 10 0 CEAERO C[NH+](C)CCNc1cc(-c2ncccc2O)c2cc[nH]c2n1 ZINC000072144230 176324333 /nfs/dbraw/zinc/32/43/33/176324333.db2.gz XVGAHNUOMZOWLX-UHFFFAOYSA-N 1 0 297.362 2.304 10 0 CEAERO Nc1nccc([C@H]2CCC[N@@H+]2CCc2ccccc2)n1 ZINC000072363748 176378510 /nfs/dbraw/zinc/37/85/10/176378510.db2.gz WYJPSJHXFXQPFN-OAHLLOKOSA-N 1 0 268.364 2.438 10 0 CEAERO Cc1cc2nc(Cl)nc(N[C@H]3CCC[NH2+]C3)c2[nH]1 ZINC000073735700 176489144 /nfs/dbraw/zinc/48/91/44/176489144.db2.gz GBEGCOPJCVCUBA-QMMMGPOBSA-N 1 0 265.748 2.084 10 0 CEAERO O[C@]12CCCC[C@H]1C[N@H+](CCO[C@@H]1CC1(F)F)CC2 ZINC000660013188 415851269 /nfs/dbraw/zinc/85/12/69/415851269.db2.gz POHWOEAFWQGZDQ-XQQFMLRXSA-N 1 0 275.339 2.038 10 0 CEAERO CC[C@H]([NH2+]C)C(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000662497819 415864417 /nfs/dbraw/zinc/86/44/17/415864417.db2.gz YPGDYFUTCORCJW-GWCFXTLKSA-N 1 0 252.333 2.309 10 0 CEAERO COc1cc([C@H](C[NH3+])N(C)C2CC2)c(OC)cc1C ZINC000076368656 177005718 /nfs/dbraw/zinc/00/57/18/177005718.db2.gz BKGIOYNHLSJTDD-ZDUSSCGKSA-N 1 0 264.369 2.106 10 0 CEAERO COc1ccc(N(C)C(=O)CC[NH2+]C(C)C)cc1C ZINC000076369309 177006432 /nfs/dbraw/zinc/00/64/32/177006432.db2.gz IUHPWNGGPNEGMI-UHFFFAOYSA-N 1 0 264.369 2.355 10 0 CEAERO C[NH2+]CCN(C)CCc1ccc(Br)cc1 ZINC000076409603 177020053 /nfs/dbraw/zinc/02/00/53/177020053.db2.gz IOKWICLTWPIVID-UHFFFAOYSA-N 1 0 271.202 2.143 10 0 CEAERO CC(C)NC(=O)[C@@H](CCC[NH3+])c1cccc(F)c1 ZINC000076656681 177045972 /nfs/dbraw/zinc/04/59/72/177045972.db2.gz WVSNBYOZZYPYPA-ZDUSSCGKSA-N 1 0 252.333 2.173 10 0 CEAERO COc1ccccc1OC[C@@H](C[NH3+])c1ccccn1 ZINC000076666146 177050908 /nfs/dbraw/zinc/05/09/08/177050908.db2.gz XWAYUNCZAHQYFQ-GFCCVEGCSA-N 1 0 258.321 2.212 10 0 CEAERO COc1cccc(OC[C@@H](C[NH3+])c2cccn2C)c1 ZINC000076670773 177053643 /nfs/dbraw/zinc/05/36/43/177053643.db2.gz LYJHOSQLFQPPHH-GFCCVEGCSA-N 1 0 260.337 2.155 10 0 CEAERO CCC[C@H](C[NH3+])CC(=O)Nc1ccc2c(c1)OCO2 ZINC000076679609 177057496 /nfs/dbraw/zinc/05/74/96/177057496.db2.gz BGRFABWDALLTGN-JTQLQIEISA-N 1 0 264.325 2.119 10 0 CEAERO CC[C@@H](C[NH3+])CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000076679722 177057500 /nfs/dbraw/zinc/05/75/00/177057500.db2.gz CNIYLOVIUUQXJB-SNVBAGLBSA-N 1 0 264.325 2.119 10 0 CEAERO CC(C)CN(C(=O)C[NH3+])c1ccc(OC(C)C)cc1 ZINC000076680199 177057759 /nfs/dbraw/zinc/05/77/59/177057759.db2.gz SEKDBRFFXCUKOF-UHFFFAOYSA-N 1 0 264.369 2.422 10 0 CEAERO [NH3+]CC[C@@H](C(=O)NCc1ccccc1)c1cccs1 ZINC000076720839 177069873 /nfs/dbraw/zinc/06/98/73/177069873.db2.gz LJHGJYIAOFNIRX-CYBMUJFWSA-N 1 0 274.389 2.497 10 0 CEAERO C[NH2+]Cc1cn2cc(Br)cc(Cl)c2n1 ZINC000076793025 177097949 /nfs/dbraw/zinc/09/79/49/177097949.db2.gz BDHBIOSHZJJOPW-UHFFFAOYSA-N 1 0 274.549 2.470 10 0 CEAERO CC(C)[N@H+](Cc1nnc(C2CC2)n1C)C1CCOCC1 ZINC000077323294 177252291 /nfs/dbraw/zinc/25/22/91/177252291.db2.gz WXIUTEAFRRFZDM-UHFFFAOYSA-N 1 0 278.400 2.082 10 0 CEAERO CC(C)C[C@H](O)C1CCN(Cc2c[nH]cn2)CC1 ZINC000077344002 177254490 /nfs/dbraw/zinc/25/44/90/177254490.db2.gz DTBUBHRBCIWKKR-AWEZNQCLSA-N 1 0 251.374 2.029 10 0 CEAERO C[C@@H]1COC[C@H](C)[N@H+]1CCC(=O)Nc1ccccc1 ZINC000077365252 177257806 /nfs/dbraw/zinc/25/78/06/177257806.db2.gz UXTWDFCNHSOABT-BETUJISGSA-N 1 0 262.353 2.124 10 0 CEAERO C[NH2+]C[C@H](O)CN(C)c1c(C)cccc1C(C)C ZINC000077432349 177268484 /nfs/dbraw/zinc/26/84/84/177268484.db2.gz PMZHFMDTZYAFJN-ZDUSSCGKSA-N 1 0 250.386 2.135 10 0 CEAERO Cc1cccc(OCC(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1 ZINC000078614229 177360178 /nfs/dbraw/zinc/36/01/78/177360178.db2.gz UFSKVVHMKHYLQZ-HNNXBMFYSA-N 1 0 292.423 2.466 10 0 CEAERO COC(=O)c1cccc(NC(=O)CC[C@H](C)CC[NH3+])c1C ZINC000079117661 177435947 /nfs/dbraw/zinc/43/59/47/177435947.db2.gz OSVXJTYKHPIZHN-NSHDSACASA-N 1 0 292.379 2.485 10 0 CEAERO COc1ccccc1CN(C)C(=O)CC[C@H](C)CC[NH3+] ZINC000079118934 177436964 /nfs/dbraw/zinc/43/69/64/177436964.db2.gz UXXKXZBTYRRSRP-ZDUSSCGKSA-N 1 0 278.396 2.419 10 0 CEAERO CC[C@H](C)N(CCOC)C(=O)CC[C@H](C)CC[NH3+] ZINC000079192299 177442086 /nfs/dbraw/zinc/44/20/86/177442086.db2.gz VKARISUMBHQCLC-STQMWFEESA-N 1 0 258.406 2.025 10 0 CEAERO CCC[C@H](CC[NH3+])CCC(=O)N[C@@H]1CCC[C@@H]1OC ZINC000079241359 177454485 /nfs/dbraw/zinc/45/44/85/177454485.db2.gz FFOQQQLDVRVKAR-MJBXVCDLSA-N 1 0 270.417 2.215 10 0 CEAERO CC(C)[C@@H](CC[NH3+])CCC(=O)OC[C@@H]1CCCO1 ZINC000079251925 177458010 /nfs/dbraw/zinc/45/80/10/177458010.db2.gz HMWASEXZRJKUAG-OLZOCXBDSA-N 1 0 257.374 2.110 10 0 CEAERO CC(C)[C@@H](CC[NH3+])CCC(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000079255173 177459344 /nfs/dbraw/zinc/45/93/44/177459344.db2.gz ZPEIWNTUWLQXJX-MCIONIFRSA-N 1 0 270.417 2.071 10 0 CEAERO CC(C)(C)[C@@H](CC[NH3+])CCC(=O)N1CCC[C@@H](CO)C1 ZINC000079290364 177464271 /nfs/dbraw/zinc/46/42/71/177464271.db2.gz KZSANXZJQDERJF-ZIAGYGMSSA-N 1 0 284.444 2.009 10 0 CEAERO CC(C)(C)[C@H](CC[NH3+])CCC(=O)Nc1nncs1 ZINC000079289172 177464489 /nfs/dbraw/zinc/46/44/89/177464489.db2.gz MLADZPYJUXOPAS-VIFPVBQESA-N 1 0 270.402 2.268 10 0 CEAERO CC(C)(C)[C@H](CC[NH3+])CCC(=O)NCC[C@@H]1CCCO1 ZINC000079291545 177464980 /nfs/dbraw/zinc/46/49/80/177464980.db2.gz GYNUATUOBHTNHU-KBPBESRZSA-N 1 0 284.444 2.463 10 0 CEAERO C[C@H](Cc1ccccc1)NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+] ZINC000079535464 177517212 /nfs/dbraw/zinc/51/72/12/177517212.db2.gz AUWLIHVXHBEJSN-JZYAIQKZSA-N 1 0 272.392 2.107 10 0 CEAERO CCC[C@H](COC)[NH2+]C[C@@H](O)COc1c(C)cccc1C ZINC000079743257 177549107 /nfs/dbraw/zinc/54/91/07/177549107.db2.gz GXXRDZDUNFHNCK-HZPDHXFCSA-N 1 0 295.423 2.448 10 0 CEAERO CCC[C@H](COC)[NH2+]C[C@@H](O)COc1cccc(C)c1 ZINC000079744762 177549590 /nfs/dbraw/zinc/54/95/90/177549590.db2.gz PLMHTIHUMDYLPH-HUUCEWRRSA-N 1 0 281.396 2.139 10 0 CEAERO CCOc1cc2c(cc1[C@H]1OCC[C@@H]1C[NH3+])O[C@H](C)C2 ZINC000079898460 177578226 /nfs/dbraw/zinc/57/82/26/177578226.db2.gz NFGYYHTVTVBHTF-UVWXRNBGSA-N 1 0 277.364 2.445 10 0 CEAERO CCOCCn1ccc2cc(C[NH2+]CCOC)ccc21 ZINC000080079036 177605193 /nfs/dbraw/zinc/60/51/93/177605193.db2.gz YZLSZPXLULMBKG-UHFFFAOYSA-N 1 0 276.380 2.414 10 0 CEAERO COCC[NH2+]Cc1cnn(CCC(C)(C)C)c1C ZINC000080087117 177605630 /nfs/dbraw/zinc/60/56/30/177605630.db2.gz PHLQBRJWGMFFHC-UHFFFAOYSA-N 1 0 253.390 2.364 10 0 CEAERO CNC(=O)[C@H]1C[C@@H](c2ccc(OC(C)C)cc2)CC[NH2+]1 ZINC000080099740 177607270 /nfs/dbraw/zinc/60/72/70/177607270.db2.gz AHKLUIBXODXIPF-DZGCQCFKSA-N 1 0 276.380 2.055 10 0 CEAERO CNC(=O)CCC[NH2+][C@@H]1C(C)(C)[C@@H]2CC[C@@]1(C)C2 ZINC000080148575 177614603 /nfs/dbraw/zinc/61/46/03/177614603.db2.gz DEFCTMVVWSIYHR-KYOSRNDESA-N 1 0 252.402 2.317 10 0 CEAERO CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)CCC(=O)[O-] ZINC000080161725 177616806 /nfs/dbraw/zinc/61/68/06/177616806.db2.gz NIVVBDOVRRNJJI-STQMWFEESA-N 1 0 258.406 2.340 10 0 CEAERO C[C@H]1CN(C(=O)c2cccc(C(C)(C)C)c2)C[C@@H]1[NH3+] ZINC000567406373 299061973 /nfs/dbraw/zinc/06/19/73/299061973.db2.gz IZXZUKHFKXOFEN-FZMZJTMJSA-N 1 0 260.381 2.403 10 0 CEAERO C[C@@H]1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)[C@@H]1C ZINC000177061271 287549634 /nfs/dbraw/zinc/54/96/34/287549634.db2.gz RFAYVSSZLVTJSB-IIAWOOMASA-N 1 0 274.408 2.416 10 0 CEAERO CC(C)[C@H]([NH3+])CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000136293228 419442956 /nfs/dbraw/zinc/44/29/56/419442956.db2.gz SAUMQKSZHFMACG-MHCOZEDOSA-N 1 0 264.413 2.445 10 0 CEAERO CCCNC(=O)c1cccc(NC(=O)C[C@@H]([NH3+])C(C)C)c1 ZINC000136325747 419443230 /nfs/dbraw/zinc/44/32/30/419443230.db2.gz FHKZPOVZKQJQSD-CQSZACIVSA-N 1 0 291.395 2.138 10 0 CEAERO COc1ccc(NC(=O)C[C@H]([NH3+])C(C)C)cc1F ZINC000136310971 419445143 /nfs/dbraw/zinc/44/51/43/419445143.db2.gz OGHITYJCQQPLTP-NSHDSACASA-N 1 0 254.305 2.146 10 0 CEAERO COc1ccc(C)cc1NC(=O)C[C@@H]([NH3+])C(C)C ZINC000136298910 419445249 /nfs/dbraw/zinc/44/52/49/419445249.db2.gz ODESZCJUUFHTBQ-LLVKDONJSA-N 1 0 250.342 2.316 10 0 CEAERO COc1ccc(CN(C)C(=O)C[C@H]([NH3+])C(C)C)cc1OC ZINC000136374383 419446069 /nfs/dbraw/zinc/44/60/69/419446069.db2.gz BCSACWDAIPMILC-ZDUSSCGKSA-N 1 0 294.395 2.036 10 0 CEAERO COc1cc(F)ccc1NC(=O)C[C@@H]([NH3+])C(C)C ZINC000136442163 419448348 /nfs/dbraw/zinc/44/83/48/419448348.db2.gz QCTDEHNOTPCGSW-SNVBAGLBSA-N 1 0 254.305 2.146 10 0 CEAERO COc1ccc(F)c(NC(=O)C[C@H]([NH3+])C(C)C)c1 ZINC000136489751 419449421 /nfs/dbraw/zinc/44/94/21/419449421.db2.gz JIGMNXUGZQZUKS-NSHDSACASA-N 1 0 254.305 2.146 10 0 CEAERO COC[C@H](C)C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000187174802 292991973 /nfs/dbraw/zinc/99/19/73/292991973.db2.gz UNCKVXMCTGBXNQ-YDHLFZDLSA-N 1 0 278.396 2.077 10 0 CEAERO C[C@@H]1CN(c2ncnc3ccsc32)C[C@@]1(C)C[NH3+] ZINC000394148288 260114519 /nfs/dbraw/zinc/11/45/19/260114519.db2.gz QKGQVMMGCNCWTQ-NOZJJQNGSA-N 1 0 262.382 2.112 10 0 CEAERO CCCCOC[C@@H](O)C[N@H+](C)[C@@H](C)c1ccco1 ZINC000195172722 262247522 /nfs/dbraw/zinc/24/75/22/262247522.db2.gz PTDAIKUPSJEKFD-STQMWFEESA-N 1 0 255.358 2.450 10 0 CEAERO C[C@H]1CN(C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@H](C)O1 ZINC000044293073 270229299 /nfs/dbraw/zinc/22/92/99/270229299.db2.gz GCPZTFOXILATOJ-STQMWFEESA-N 1 0 291.395 2.389 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)CCOCc2ccccc2)C1 ZINC000193687610 270288258 /nfs/dbraw/zinc/28/82/58/270288258.db2.gz RKHLEUKZROWBHW-MRXNPFEDSA-N 1 0 290.407 2.194 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccccc2COC)C1 ZINC000194339830 270296562 /nfs/dbraw/zinc/29/65/62/270296562.db2.gz DOBZZIGKAPCHOE-CQSZACIVSA-N 1 0 291.395 2.439 10 0 CEAERO O=C(Cn1ccc2ccccc21)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195049659 270305781 /nfs/dbraw/zinc/30/57/81/270305781.db2.gz GVVPRUXABDQIFH-MRXNPFEDSA-N 1 0 297.402 2.338 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]CC2(N(C)C)CC2)c1C ZINC000398010310 270355640 /nfs/dbraw/zinc/35/56/40/270355640.db2.gz YALWNOHHLOZLTD-NSHDSACASA-N 1 0 264.417 2.265 10 0 CEAERO Fc1cccc(Br)c1CNC[C@@H]1CC[NH2+]C1 ZINC000398367430 270358109 /nfs/dbraw/zinc/35/81/09/270358109.db2.gz PSBWJNXQJDGDAY-SECBINFHSA-N 1 0 287.176 2.287 10 0 CEAERO O=C1C[C@H](C[NH2+]Cc2cc(Cl)sc2Cl)CN1 ZINC000398463380 270358561 /nfs/dbraw/zinc/35/85/61/270358561.db2.gz SRBGBHZNJQVEGD-ZCFIWIBFSA-N 1 0 279.192 2.281 10 0 CEAERO Cc1nc(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)sc1C ZINC000398708683 270360904 /nfs/dbraw/zinc/36/09/04/270360904.db2.gz BWRMCDXXDSODPG-AVGNSLFASA-N 1 0 266.410 2.353 10 0 CEAERO CCCCOC[C@@H](O)C[N@H+]1C[C@@H](CC)O[C@@H](CC)C1 ZINC000398692098 270361321 /nfs/dbraw/zinc/36/13/21/270361321.db2.gz SHGMJYRAXAPXNB-SOUVJXGZSA-N 1 0 273.417 2.053 10 0 CEAERO Cc1nc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)sc1C ZINC000398708696 270361524 /nfs/dbraw/zinc/36/15/24/270361524.db2.gz BWRMCDXXDSODPG-YNEHKIRRSA-N 1 0 266.410 2.353 10 0 CEAERO CCOC(=O)CCCCC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398761332 270363021 /nfs/dbraw/zinc/36/30/21/270363021.db2.gz HQEFGVFLDNPDEL-KKUMJFAQSA-N 1 0 283.412 2.203 10 0 CEAERO Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000423958237 270992559 /nfs/dbraw/zinc/99/25/59/270992559.db2.gz QIBWMYJFJULOTA-NQBHXWOUSA-N 1 0 296.798 2.221 10 0 CEAERO Cc1cc(Br)cn2c(C[NH+](C)C)cnc12 ZINC000082693503 274675778 /nfs/dbraw/zinc/67/57/78/274675778.db2.gz XHRBNWBLFYLWOZ-UHFFFAOYSA-N 1 0 268.158 2.467 10 0 CEAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1ccc(F)cc1Cl ZINC000038048943 274955635 /nfs/dbraw/zinc/95/56/35/274955635.db2.gz XJTIRLFKZZRVIT-NEPJUHHUSA-N 1 0 270.735 2.479 10 0 CEAERO Brc1ccc(NC[C@@H]2CCC[NH2+]2)nc1 ZINC000053255346 275369874 /nfs/dbraw/zinc/36/98/74/275369874.db2.gz LWRLQBDFTOAVRS-VIFPVBQESA-N 1 0 256.147 2.008 10 0 CEAERO CC[N@H+](C)[C@H]1CCN(c2c(F)c(F)nc(F)c2F)C1 ZINC000302822474 276078679 /nfs/dbraw/zinc/07/86/79/276078679.db2.gz KRBASNMPYGZRJL-ZETCQYMHSA-N 1 0 277.265 2.168 10 0 CEAERO CC1CCC(C[NH2+]CCCN2CCOCC2)CC1 ZINC000089575632 276189261 /nfs/dbraw/zinc/18/92/61/276189261.db2.gz FOMGQJZZBJKMFD-UHFFFAOYSA-N 1 0 254.418 2.125 10 0 CEAERO CCC[C@@H]1[C@@H](C)CCCN1C(=O)[C@@H](C)C1C[NH2+]C1 ZINC000262512948 276278539 /nfs/dbraw/zinc/27/85/39/276278539.db2.gz JVKPWAKAXMWFLZ-SGMGOOAPSA-N 1 0 252.402 2.269 10 0 CEAERO CCOC(=O)c1c(N)sc2c1C[C@@H]1CC[C@H]2[N@@H+]1C ZINC000020523841 276296843 /nfs/dbraw/zinc/29/68/43/276296843.db2.gz JHDBJDHHIRRQPX-IONNQARKSA-N 1 0 266.366 2.198 10 0 CEAERO CC[C@@]1(C)c2ccccc2N(C2CC[NH2+]CC2)C1=O ZINC000091301920 276539299 /nfs/dbraw/zinc/53/92/99/276539299.db2.gz XALVRMVOEYXCQZ-INIZCTEOSA-N 1 0 258.365 2.453 10 0 CEAERO C[NH+](C)[C@H]1CCN(c2cnc3cc(F)c(F)cc3n2)C1 ZINC000122799848 276874279 /nfs/dbraw/zinc/87/42/79/276874279.db2.gz ZTUJULCDKQNMHJ-VIFPVBQESA-N 1 0 278.306 2.048 10 0 CEAERO CN(CC[NH3+])c1ncc(Br)cc1C(F)(F)F ZINC000234283394 276942609 /nfs/dbraw/zinc/94/26/09/276942609.db2.gz SAGDOFKWHRNHNI-UHFFFAOYSA-N 1 0 298.106 2.258 10 0 CEAERO CC(C)(C)CCNC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248175059 277141294 /nfs/dbraw/zinc/14/12/94/277141294.db2.gz VLVHVMIRTOEZQO-YOEHRIQHSA-N 1 0 296.455 2.166 10 0 CEAERO CN1c2ccccc2[C@H]([NH2+]C[C@@H]2CCCCO2)CC1=O ZINC000042817216 277218939 /nfs/dbraw/zinc/21/89/39/277218939.db2.gz VBVKEHKPYFGXAG-GXTWGEPZSA-N 1 0 274.364 2.253 10 0 CEAERO C[NH2+]C[C@@H]1CCCN1c1nccc(C)c1Br ZINC000234395755 277279344 /nfs/dbraw/zinc/27/93/44/277279344.db2.gz JZPURAOAGHWCFR-JTQLQIEISA-N 1 0 284.201 2.341 10 0 CEAERO CNc1nc2ccccc2nc1N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000095071382 277305788 /nfs/dbraw/zinc/30/57/88/277305788.db2.gz APJSGMRXQRLAEM-WDEREUQCSA-N 1 0 271.368 2.353 10 0 CEAERO CS(=O)(=O)c1ccc(N[C@@H](C[NH3+])C2CCCC2)cc1 ZINC000235035722 278120120 /nfs/dbraw/zinc/12/01/20/278120120.db2.gz XSLGXIFMTMRTKH-AWEZNQCLSA-N 1 0 282.409 2.020 10 0 CEAERO C[C@@H](C(=O)N1C[C@H](C)Cc2ccccc21)C1C[NH2+]C1 ZINC000164543967 278200255 /nfs/dbraw/zinc/20/02/55/278200255.db2.gz WHRJFECWEMRJQZ-VXGBXAGGSA-N 1 0 258.365 2.067 10 0 CEAERO C[C@H]([NH2+][C@@H]1CC(=O)N(C)c2ccccc21)[C@@H]1CCOC1 ZINC000132030148 278269597 /nfs/dbraw/zinc/26/95/97/278269597.db2.gz CTCOXOUAGGCWEE-OUCADQQQSA-N 1 0 274.364 2.109 10 0 CEAERO C[C@@H](CSC(C)(C)C)[NH2+][C@H]1CCc2ncnn2C1 ZINC000180580671 278294093 /nfs/dbraw/zinc/29/40/93/278294093.db2.gz DDBGMMSTOVQVQH-QWRGUYRKSA-N 1 0 268.430 2.103 10 0 CEAERO CC(C)(C)OC(=O)N1CCC([C@@H](CCO)[NH2+]C2CC2)CC1 ZINC000095083481 278382588 /nfs/dbraw/zinc/38/25/88/278382588.db2.gz RYGYGGVFTAMZBO-CQSZACIVSA-N 1 0 298.427 2.137 10 0 CEAERO C[C@@H]1CCN(c2ccc3c(n2)CCCC3=O)C[C@@H]1C[NH3+] ZINC000333640121 278558055 /nfs/dbraw/zinc/55/80/55/278558055.db2.gz HZVXDVJXUDUZKA-NEPJUHHUSA-N 1 0 273.380 2.022 10 0 CEAERO C[C@@H]1CN(C(=O)N2Cc3cccc(F)c3C2)C[C@@]1(C)C[NH3+] ZINC000334957285 278649017 /nfs/dbraw/zinc/64/90/17/278649017.db2.gz PWCLKBTYNSJHDO-BDJLRTHQSA-N 1 0 291.370 2.178 10 0 CEAERO Cc1cc(C)c(NC(=O)CN2CCC[C@H]2C[NH3+])c(Cl)c1 ZINC000128193297 278662973 /nfs/dbraw/zinc/66/29/73/278662973.db2.gz QHCXAXZGNYKGRR-LBPRGKRZSA-N 1 0 295.814 2.318 10 0 CEAERO CCN(CC)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000071925552 279073415 /nfs/dbraw/zinc/07/34/15/279073415.db2.gz XWGNEXLCFQVOCG-UHFFFAOYSA-N 1 0 255.406 2.158 10 0 CEAERO CC[NH+](CC)CC[C@@]1(c2ccccc2)CCC(=O)NC1=O ZINC000005848216 279113574 /nfs/dbraw/zinc/11/35/74/279113574.db2.gz BFMBKRQFMIILCH-QGZVFWFLSA-N 1 0 288.391 2.093 10 0 in-man CEAERO C[C@H](C(=O)N[C@H]1CCSc2c(F)cccc21)C1C[NH2+]C1 ZINC000262063475 279234199 /nfs/dbraw/zinc/23/41/99/279234199.db2.gz IUGKHUXEHMFQPS-ZANVPECISA-N 1 0 294.395 2.334 10 0 CEAERO C[C@H](C[C@@H]1COCCN1)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000252952303 279369873 /nfs/dbraw/zinc/36/98/73/279369873.db2.gz FRHULJJSKDUWIR-FVCCEPFGSA-N 1 0 294.361 2.464 10 0 CEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)Nc1nc2c(s1)CCCC2 ZINC000085372726 279688384 /nfs/dbraw/zinc/68/83/84/279688384.db2.gz HLBZLVAGAQHLMS-IUCAKERBSA-N 1 0 265.382 2.088 10 0 CEAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCS2)C12CCOCC2 ZINC000249034854 279817786 /nfs/dbraw/zinc/81/77/86/279817786.db2.gz TWHFLKZSLCXRPK-MGPQQGTHSA-N 1 0 285.453 2.446 10 0 CEAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCCN2C)c1C ZINC000154616732 280093033 /nfs/dbraw/zinc/09/30/33/280093033.db2.gz WMLPPNAYBXHVSK-FZMZJTMJSA-N 1 0 264.417 2.265 10 0 CEAERO CC[N@@H+]1CCC[C@@H](NC(=O)/C=C/c2ncccc2C)C1 ZINC000183546523 280113973 /nfs/dbraw/zinc/11/39/73/280113973.db2.gz RLCABZVXAFBYCP-MYSGNRETSA-N 1 0 273.380 2.004 10 0 CEAERO CC(C)[C@H](C)NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000245873669 280218399 /nfs/dbraw/zinc/21/83/99/280218399.db2.gz AGPQZHLSJVPPLI-BFHYXJOUSA-N 1 0 267.417 2.157 10 0 CEAERO Cc1cnn(CC[NH2+]Cc2ccc3cc[nH]c3c2)c1 ZINC000236009262 280221376 /nfs/dbraw/zinc/22/13/76/280221376.db2.gz IDIANKNCVLFRBY-UHFFFAOYSA-N 1 0 254.337 2.463 10 0 CEAERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@H]1CN(C)CCO1 ZINC000245462300 280241983 /nfs/dbraw/zinc/24/19/83/280241983.db2.gz WXNZQPJUOCYCAP-QKPAOTATSA-N 1 0 268.445 2.367 10 0 CEAERO CCCC1(CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000245761167 280260059 /nfs/dbraw/zinc/26/00/59/280260059.db2.gz HGFXLEDTBUBRBM-KGLIPLIRSA-N 1 0 279.428 2.445 10 0 CEAERO CC[N@@H+]1CCC[C@H](NC(=O)N2C[C@H]3CCCC[C@@H]3C2)C1 ZINC000246744246 280308542 /nfs/dbraw/zinc/30/85/42/280308542.db2.gz WUHKNNSBWYUASV-KFWWJZLASA-N 1 0 279.428 2.302 10 0 CEAERO CC[N@@H+]1CC[C@H](N(C)Cc2nnc(C(C)C)n2C)[C@@H](C)C1 ZINC000247032551 280318471 /nfs/dbraw/zinc/31/84/71/280318471.db2.gz MWFSODWSUPIODK-KBPBESRZSA-N 1 0 293.459 2.101 10 0 CEAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccnn2C)C12CCOCC2 ZINC000248877791 280371088 /nfs/dbraw/zinc/37/10/88/280371088.db2.gz JVYUTHWQFXXKDE-VHDGCEQUSA-N 1 0 293.411 2.045 10 0 CEAERO COc1cnccc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1O ZINC000248998299 280378710 /nfs/dbraw/zinc/37/87/10/280378710.db2.gz NIKSNQLSKSHPSV-CYZMBNFOSA-N 1 0 250.342 2.044 10 0 CEAERO CCc1nccn1[C@H]1CCC[N@H+](C[C@H](C)COC)C1 ZINC000249457102 280398035 /nfs/dbraw/zinc/39/80/35/280398035.db2.gz DQLDDAHMVPQZLN-KBPBESRZSA-N 1 0 265.401 2.365 10 0 CEAERO Cc1cc(N2CCCC[C@H]2C[NH3+])ncc1Br ZINC000163953817 280549193 /nfs/dbraw/zinc/54/91/93/280549193.db2.gz FDUFOVLOVSSWDQ-JTQLQIEISA-N 1 0 284.201 2.470 10 0 CEAERO Cc1cc(N2CC[C@@H]([NH3+])[C@H](C)C2)ncc1Br ZINC000163962990 280567565 /nfs/dbraw/zinc/56/75/65/280567565.db2.gz MBDAYSOVRHGECW-MWLCHTKSSA-N 1 0 284.201 2.326 10 0 CEAERO C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]C[C@H](O)C(C)(C)C ZINC000324242629 280601172 /nfs/dbraw/zinc/60/11/72/280601172.db2.gz BLLOIGXOLGMSOR-TUAOUCFPSA-N 1 0 288.432 2.285 10 0 CEAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CCOCC(F)(F)F ZINC000083704439 288294262 /nfs/dbraw/zinc/29/42/62/288294262.db2.gz IUDHUKUHCBPHOW-VXGBXAGGSA-N 1 0 280.334 2.124 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(OC)c1 ZINC000175047762 281193301 /nfs/dbraw/zinc/19/33/01/281193301.db2.gz LWXKWALMVFSOCR-LSDHHAIUSA-N 1 0 288.391 2.394 10 0 CEAERO CCc1coc(NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)n1 ZINC000333944919 281480530 /nfs/dbraw/zinc/48/05/30/281480530.db2.gz SJOQMPLORHTXRO-AAEUAGOBSA-N 1 0 292.383 2.328 10 0 CEAERO CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@@H](C)N1CCOCC1 ZINC000133966019 281678766 /nfs/dbraw/zinc/67/87/66/281678766.db2.gz ITMHHWAFVDIMIM-XHSDSOJGSA-N 1 0 266.429 2.289 10 0 CEAERO Cc1nc(N2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1Br ZINC000235179321 281935391 /nfs/dbraw/zinc/93/53/91/281935391.db2.gz HHSCNFGUXFGCEI-PSASIEDQSA-N 1 0 284.201 2.326 10 0 CEAERO Cc1nc2c(s1)[C@H]([NH2+]C[C@H](C)N1CCOCC1)CCC2 ZINC000123461233 282044149 /nfs/dbraw/zinc/04/41/49/282044149.db2.gz BENRCTRPEBYFNS-WCQYABFASA-N 1 0 295.452 2.139 10 0 CEAERO Cc1cccc(CC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000155709396 289181056 /nfs/dbraw/zinc/18/10/56/289181056.db2.gz LCBWODCXRSLYIP-HOCLYGCPSA-N 1 0 274.408 2.382 10 0 CEAERO CC[NH2+]Cc1ccccc1NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000158313635 289231822 /nfs/dbraw/zinc/23/18/22/289231822.db2.gz PGDYIADTDXFJLZ-FZMZJTMJSA-N 1 0 262.353 2.302 10 0 CEAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1ccc(F)cn1 ZINC000271608869 290005812 /nfs/dbraw/zinc/00/58/12/290005812.db2.gz VLWPTGQMPXMCEE-COPLHBTASA-N 1 0 252.333 2.422 10 0 CEAERO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1C[C@@H](O)COC(C)(C)C ZINC000245630379 293120700 /nfs/dbraw/zinc/12/07/00/293120700.db2.gz ZRWOVEYSSDXVGG-ZIAGYGMSSA-N 1 0 295.427 2.339 10 0 CEAERO Cc1sc2ncnc(N3CC[C@H]([NH3+])[C@H]3C)c2c1C ZINC000261568495 294090524 /nfs/dbraw/zinc/09/05/24/294090524.db2.gz JEBPZFKOZMKCGG-SCZZXKLOSA-N 1 0 262.382 2.234 10 0 CEAERO [NH3+][C@@H]1CCCN(C(=O)[C@H]2CCCO[C@@H]2c2ccccc2)C1 ZINC000191335589 295302124 /nfs/dbraw/zinc/30/21/24/295302124.db2.gz UNSGCCVELKBIEQ-OWCLPIDISA-N 1 0 288.391 2.104 10 0 CEAERO [NH3+][C@@H]1CC[C@@H](C(=O)NC2CCC(C(F)(F)F)CC2)C1 ZINC000091544522 295320073 /nfs/dbraw/zinc/32/00/73/295320073.db2.gz FXWMMPXDXMHYCN-BZCXBAJXSA-N 1 0 278.318 2.351 10 0 CEAERO C[C@@H]1C[C@H](C(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC(C)(C)C1 ZINC000248549085 297329914 /nfs/dbraw/zinc/32/99/14/297329914.db2.gz KBCPZHQOQCXMLR-ILXRZTDVSA-N 1 0 296.455 2.238 10 0 CEAERO CCCCOC[C@H](O)C[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000516862245 297605629 /nfs/dbraw/zinc/60/56/29/297605629.db2.gz RAXYJTBMQJVATB-RBSFLKMASA-N 1 0 287.444 2.347 10 0 CEAERO C[C@H](C(=O)Nc1ccccc1N1CCCCC1)C1C[NH2+]C1 ZINC000164421356 298195997 /nfs/dbraw/zinc/19/59/97/298195997.db2.gz WRZFNXVBDBPMIK-ZDUSSCGKSA-N 1 0 287.407 2.471 10 0 CEAERO C[C@@H]1CCC[C@@H](CNC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000170833700 312664978 /nfs/dbraw/zinc/66/49/78/312664978.db2.gz AARAHJQYKIFCQD-MCIONIFRSA-N 1 0 267.417 2.158 10 0 CEAERO COc1cc(C)c(NC(=O)N2CC[C@H]([NH+](C)C)C2)cc1F ZINC000186719669 321752590 /nfs/dbraw/zinc/75/25/90/321752590.db2.gz WDFXFEVLGVTDIH-NSHDSACASA-N 1 0 295.358 2.311 10 0 CEAERO C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1C[C@H]1CO ZINC000382020510 321838046 /nfs/dbraw/zinc/83/80/46/321838046.db2.gz PXYZHTZSCSTIAL-XHVZSJERSA-N 1 0 284.197 2.351 10 0 CEAERO C[C@@H](C[NH2+]C[C@@H](O)COCc1ccco1)CC(F)(F)F ZINC000396897734 329318388 /nfs/dbraw/zinc/31/83/88/329318388.db2.gz ABXIXXPDNADJLR-GHMZBOCLSA-N 1 0 295.301 2.335 10 0 CEAERO C[N@H+](C[C@H](O)COCc1ccccc1)C(C)(C)C ZINC000394270645 329110409 /nfs/dbraw/zinc/11/04/09/329110409.db2.gz VGYYPARINIITMS-AWEZNQCLSA-N 1 0 251.370 2.294 10 0 CEAERO CC(C)(C)OC(=O)N1CCC[C@@]1(C(N)=[NH2+])C(F)(F)F ZINC000536959674 330383995 /nfs/dbraw/zinc/38/39/95/330383995.db2.gz RMCYHBHCTLQMNR-SNVBAGLBSA-N 1 0 281.278 2.254 10 0 CEAERO CCN(C(=O)OCc1ccccc1)[C@H](C)C1=[NH+]CCN1 ZINC000536959601 330384000 /nfs/dbraw/zinc/38/40/00/330384000.db2.gz OSHCJQPZVODNON-GFCCVEGCSA-N 1 0 275.352 2.035 10 0 CEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc(N)nc(Cl)c1 ZINC000050707870 519337688 /nfs/dbraw/zinc/33/76/88/519337688.db2.gz ZTQONWXAJIABMQ-LLVKDONJSA-N 1 0 298.818 2.023 10 0 CEAERO CC(C)C[NH+](CC[C@@H]([NH2+]C(C)C)C(=O)[O-])CC(C)C ZINC000062454410 519717096 /nfs/dbraw/zinc/71/70/96/519717096.db2.gz DRMONTFDIIWOFN-CQSZACIVSA-N 1 0 272.433 2.442 10 0 CEAERO CC(C)[NH2+]CC[C@@H](C)N1CCN(c2nccs2)CC1 ZINC000052417721 519722040 /nfs/dbraw/zinc/72/20/40/519722040.db2.gz BKKNAIBOFXEVRN-CYBMUJFWSA-N 1 0 282.457 2.042 10 0 CEAERO CC(C)[NH2+]C[C@H]1CC[C@@H](CN(C)Cc2cscn2)O1 ZINC000052503882 519725121 /nfs/dbraw/zinc/72/51/21/519725121.db2.gz WQNRZYWCKCSSHS-KGLIPLIRSA-N 1 0 283.441 2.121 10 0 CEAERO CC(C)C[NH+]1CCN(CC2(CO)CCCCC2)CC1 ZINC000055082267 519725436 /nfs/dbraw/zinc/72/54/36/519725436.db2.gz PWIRZGZJJVBFKK-UHFFFAOYSA-N 1 0 268.445 2.203 10 0 CEAERO CC(C)[NH2+]C[C@]1(CCOCC(F)(F)F)CCOC1 ZINC000054665017 519726300 /nfs/dbraw/zinc/72/63/00/519726300.db2.gz RGZRBPFONSBYCV-LLVKDONJSA-N 1 0 269.307 2.360 10 0 CEAERO CC(C)C[NH2+]Cc1cccc(N2CCOC[C@H]2C)n1 ZINC000051443966 519747496 /nfs/dbraw/zinc/74/74/96/519747496.db2.gz ZGTTXCVQPBEIQD-CYBMUJFWSA-N 1 0 263.385 2.052 10 0 CEAERO CC(C)[C@@H](C[NH+](C)C)Nc1ccccc1C(N)=S ZINC000049224974 519794095 /nfs/dbraw/zinc/79/40/95/519794095.db2.gz FCGMEMXREFUXCI-CYBMUJFWSA-N 1 0 265.426 2.319 10 0 CEAERO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cc(N)ccc1Cl ZINC000049191843 519814279 /nfs/dbraw/zinc/81/42/79/519814279.db2.gz QVZVVLJPJLSORP-ZDUSSCGKSA-N 1 0 283.803 2.238 10 0 CEAERO CC(C)[C@H](CN(C)C)[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC000049204781 519814398 /nfs/dbraw/zinc/81/43/98/519814398.db2.gz LOXLIKSHYGKKEU-UONOGXRCSA-N 1 0 286.366 2.174 10 0 CEAERO CCC[NH+]1CCC(N2Cc3cccc(N)c3C2)CC1 ZINC000049559828 519844315 /nfs/dbraw/zinc/84/43/15/519844315.db2.gz WXLNWVDIHLRIPQ-UHFFFAOYSA-N 1 0 259.397 2.459 10 0 CEAERO CCN(C(=O)CCC1CCC([NH3+])CC1)[C@@H](C)COC ZINC000055137355 519902862 /nfs/dbraw/zinc/90/28/62/519902862.db2.gz HPXKENPKKRCVEG-HSBZDZAISA-N 1 0 270.417 2.168 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)N[C@@H](C)Cc1ccccc1C ZINC000061293646 519905593 /nfs/dbraw/zinc/90/55/93/519905593.db2.gz QNBLXNHJRRWHTE-ZDUSSCGKSA-N 1 0 262.397 2.430 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1ccccc1C(=O)OCC ZINC000061298658 519908241 /nfs/dbraw/zinc/90/82/41/519908241.db2.gz NPANPDNLUWNCCP-UHFFFAOYSA-N 1 0 278.352 2.190 10 0 CEAERO CCC[NH2+]C[C@@H]1CC[C@@H](CN(C)CC(F)(F)F)O1 ZINC000052483389 519925438 /nfs/dbraw/zinc/92/54/38/519925438.db2.gz BSCGIUMYGWRNQV-QWRGUYRKSA-N 1 0 268.323 2.028 10 0 CEAERO CC[NH2+]CCS(=O)(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000049640662 519924656 /nfs/dbraw/zinc/92/46/56/519924656.db2.gz CHWVQVSROGYUNB-UHFFFAOYSA-N 1 0 284.425 2.335 10 0 CEAERO CCC[NH2+]C[C@@](C)(CCC)[C@H]1CCS(=O)(=O)C1 ZINC000054656774 519929172 /nfs/dbraw/zinc/92/91/72/519929172.db2.gz VJVFQMYWIOLFJA-QWHCGFSZSA-N 1 0 261.431 2.227 10 0 CEAERO CCC[NH2+]C[C@H](C[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 ZINC000052951043 519933721 /nfs/dbraw/zinc/93/37/21/519933721.db2.gz PHGDTQUIPNMNST-MCIONIFRSA-N 1 0 275.458 2.473 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1cc(OC)c(OC)cc1C ZINC000061232532 519939100 /nfs/dbraw/zinc/93/91/00/519939100.db2.gz FEBGTWCCBCVULO-LLVKDONJSA-N 1 0 280.368 2.196 10 0 CEAERO CC[NH2+]C[C@H](C(C)C)n1nnc(-c2ccccc2)n1 ZINC000052574730 519957088 /nfs/dbraw/zinc/95/70/88/519957088.db2.gz YZNQXGLDAHZQBO-CYBMUJFWSA-N 1 0 259.357 2.147 10 0 CEAERO CCC[NH2+]Cc1ccoc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000052380288 519958131 /nfs/dbraw/zinc/95/81/31/519958131.db2.gz OFSFYJHELDVIDD-BETUJISGSA-N 1 0 266.385 2.388 10 0 CEAERO CCC[NH2+]Cc1cnc(N(C)CCCOC)s1 ZINC000062037705 519962452 /nfs/dbraw/zinc/96/24/52/519962452.db2.gz SFDLTEVYDHMYNC-UHFFFAOYSA-N 1 0 257.403 2.115 10 0 CEAERO CCC[NH2+]Cc1nnnn1-c1ccc(C)c(Cl)c1 ZINC000054744713 519970243 /nfs/dbraw/zinc/97/02/43/519970243.db2.gz NSWWBRAUAPDDNT-UHFFFAOYSA-N 1 0 265.748 2.124 10 0 CEAERO CCC[NH2+][C@@H](C)C[C@@H](C)N1CCN(CC(F)(F)F)CC1 ZINC000068654901 519986984 /nfs/dbraw/zinc/98/69/84/519986984.db2.gz FKNBDVLFQLEQMA-QWHCGFSZSA-N 1 0 295.393 2.333 10 0 CEAERO CC[NH2+]Cc1cc(CN2C[C@@H](C)O[C@H](C)C2)c(C)o1 ZINC000052380843 519991906 /nfs/dbraw/zinc/99/19/06/519991906.db2.gz RUHACQAGJRSBLR-VXGBXAGGSA-N 1 0 266.385 2.307 10 0 CEAERO CC[NH2+]Cc1cc(CN2CCOC[C@H]2CC)oc1C ZINC000052481441 519991976 /nfs/dbraw/zinc/99/19/76/519991976.db2.gz ALPIGCHCTDEPCF-CQSZACIVSA-N 1 0 266.385 2.308 10 0 CEAERO CCCN[C@H](CC[N@H+](CC)CC(C)C)C(=O)OCC ZINC000062445085 520072758 /nfs/dbraw/zinc/07/27/58/520072758.db2.gz JJGVVCIHDDJSKS-CQSZACIVSA-N 1 0 272.433 2.286 10 0 CEAERO CC[NH2+][C@@H](CCCS(C)(=O)=O)Cc1cccc(OC)c1 ZINC000063017070 520083925 /nfs/dbraw/zinc/08/39/25/520083925.db2.gz OKIQONRAJYICIB-AWEZNQCLSA-N 1 0 299.436 2.041 10 0 CEAERO CC[NH2+][C@@H](CC[N@H+](CC)C1CCCCC1)C(=O)[O-] ZINC000062439108 520086569 /nfs/dbraw/zinc/08/65/69/520086569.db2.gz CAUUBOGHYJEWGV-ZDUSSCGKSA-N 1 0 256.390 2.094 10 0 CEAERO CCC[NH2+][C@](C)(CCCCOCCC(C)C)C(N)=O ZINC000045478305 520102803 /nfs/dbraw/zinc/10/28/03/520102803.db2.gz GGVYPMJGCZOWRX-OAHLLOKOSA-N 1 0 272.433 2.463 10 0 CEAERO CCC[NH2+][C@](C)(CSCc1cccc(C)c1)C(N)=O ZINC000054966385 520109783 /nfs/dbraw/zinc/10/97/83/520109783.db2.gz RPAIPRYPXVKEKR-OAHLLOKOSA-N 1 0 280.437 2.472 10 0 CEAERO CC[NH2+][C@@](C)(C[C@@H](C)Oc1cccc(C)c1C)C(N)=O ZINC000068655475 520141778 /nfs/dbraw/zinc/14/17/78/520141778.db2.gz NGZZNLWNRSWKET-WBMJQRKESA-N 1 0 278.396 2.314 10 0 CEAERO CC[NH2+][C@@](C)(C[C@H](C)Oc1ccc(CC)cc1)C(N)=O ZINC000068655637 520147489 /nfs/dbraw/zinc/14/74/89/520147489.db2.gz QZDHWDAQSUIGPJ-LRDDRELGSA-N 1 0 278.396 2.260 10 0 CEAERO CC[NH2+][C@H](C)c1cnc(N(C)[C@@H](C)COC)s1 ZINC000054906776 520181829 /nfs/dbraw/zinc/18/18/29/520181829.db2.gz WKYUNTCQFPLPNN-VHSXEESVSA-N 1 0 257.403 2.285 10 0 CEAERO CCN[C@H](CC[NH+]1CCC(C)(C)CC1)C(=O)OCC ZINC000062532951 520189091 /nfs/dbraw/zinc/18/90/91/520189091.db2.gz UTGCXMMGBNXIFC-CYBMUJFWSA-N 1 0 270.417 2.040 10 0 CEAERO CCN[C@](C)(CCC[NH+]1CCC(C)(C)CC1)C(=O)OC ZINC000061821843 520226991 /nfs/dbraw/zinc/22/69/91/520226991.db2.gz QDTHLQXAOXLVEZ-MRXNPFEDSA-N 1 0 284.444 2.430 10 0 CEAERO CCN[C@](C)(C[C@H](C)[NH+]1CCC(C)(CC)CC1)C(N)=O ZINC000068645155 520241234 /nfs/dbraw/zinc/24/12/34/520241234.db2.gz IPBMXPGBHPYZPB-XJKSGUPXSA-N 1 0 283.460 2.131 10 0 CEAERO CCCCN(CC(F)(F)F)C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000062895476 520444275 /nfs/dbraw/zinc/44/42/75/520444275.db2.gz DXJBXOHUYALRQO-NSHDSACASA-N 1 0 266.307 2.177 10 0 CEAERO CCCC[NH+](CCCC)C[C@@](N)(C(=O)OC)C1CC1 ZINC000069096502 520495502 /nfs/dbraw/zinc/49/55/02/520495502.db2.gz LFTJPBPFKSZIOV-HNNXBMFYSA-N 1 0 270.417 2.169 10 0 CEAERO CC1(C)COCCN1c1ncc(C[NH2+]C2CC2)s1 ZINC000054909168 520510453 /nfs/dbraw/zinc/51/04/53/520510453.db2.gz CUAVBGGHEBHRRH-UHFFFAOYSA-N 1 0 267.398 2.010 10 0 CEAERO CCN(CC)CC[NH2+][C@]1(CO)CCC[C@H](C(F)(F)F)C1 ZINC000069387510 520690574 /nfs/dbraw/zinc/69/05/74/520690574.db2.gz FROYUEZOYUDCDC-QWHCGFSZSA-N 1 0 296.377 2.401 10 0 CEAERO CCC[C@@](C)(C[NH3+])[C@H]1CS(=O)(=O)c2ccccc21 ZINC000054636005 520909416 /nfs/dbraw/zinc/90/94/16/520909416.db2.gz FWBYNICNUAGFPD-JSGCOSHPSA-N 1 0 267.394 2.323 10 0 CEAERO CCCC[C@H](CC)C[NH2+]C[C@H]1CN(C)CCN1C ZINC000068804743 521179126 /nfs/dbraw/zinc/17/91/26/521179126.db2.gz YSFLOOPAIOSRPS-GJZGRUSLSA-N 1 0 255.450 2.038 10 0 CEAERO CCOC(=O)[C@H](CC[N@H+](C)CCC(C)C)NC(C)C ZINC000062526095 521242147 /nfs/dbraw/zinc/24/21/47/521242147.db2.gz WSAJKROTCRYSSP-AWEZNQCLSA-N 1 0 272.433 2.284 10 0 CEAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@H](C)CN1CCCCC1 ZINC000049501644 521343057 /nfs/dbraw/zinc/34/30/57/521343057.db2.gz WVQBQSWOPWYSNU-KGLIPLIRSA-N 1 0 283.460 2.144 10 0 CEAERO CCN(c1cccc(C)c1)[C@@H](C)C[NH2+]CCOC ZINC000053494073 521495363 /nfs/dbraw/zinc/49/53/63/521495363.db2.gz PBBLXLYBJGLFPZ-AWEZNQCLSA-N 1 0 250.386 2.446 10 0 CEAERO CC[NH+]1CCC(N(C)c2c(F)cc(CO)cc2F)CC1 ZINC000062722304 521566082 /nfs/dbraw/zinc/56/60/82/521566082.db2.gz WCHHGLAWHDEBOG-UHFFFAOYSA-N 1 0 284.350 2.378 10 0 CEAERO CCC[N@H+](CC(N)=S)Cc1ccc(F)cc1F ZINC000050884876 521595468 /nfs/dbraw/zinc/59/54/68/521595468.db2.gz HZVBLTIRNAGUPY-UHFFFAOYSA-N 1 0 258.337 2.463 10 0 CEAERO CCC[N@H+](CC)CC[C@@H](NC(C)C)C(=O)OCC ZINC000062447024 521612173 /nfs/dbraw/zinc/61/21/73/521612173.db2.gz GKNVHAQELWVVDF-CYBMUJFWSA-N 1 0 258.406 2.038 10 0 CEAERO CCCn1cc([C@H]([NH3+])Cc2nc(C)cs2)cn1 ZINC000055267706 521655885 /nfs/dbraw/zinc/65/58/85/521655885.db2.gz VVGJAQHTPYZDQF-LLVKDONJSA-N 1 0 250.371 2.301 10 0 CEAERO CCCN(CC[NH+](C)C)c1c(F)cc(CO)cc1F ZINC000062722354 521658471 /nfs/dbraw/zinc/65/84/71/521658471.db2.gz MWFAKITVTQSTEU-UHFFFAOYSA-N 1 0 272.339 2.235 10 0 CEAERO CCOC1CCN([C@H](C[NH2+]C)c2ccccc2)CC1 ZINC000052484116 521656859 /nfs/dbraw/zinc/65/68/59/521656859.db2.gz SMHURLUOTODCGQ-MRXNPFEDSA-N 1 0 262.397 2.448 10 0 CEAERO C[NH2+]C[C@@H](OC1CCOCC1)c1ccc(OC)cc1 ZINC000050485650 522036229 /nfs/dbraw/zinc/03/62/29/522036229.db2.gz VYYNYFKSWYEDPB-OAHLLOKOSA-N 1 0 265.353 2.151 10 0 CEAERO CC[C@@H](C)NC(=O)COc1cc(F)ccc1[C@H](C)[NH3+] ZINC000062745908 522168383 /nfs/dbraw/zinc/16/83/83/522168383.db2.gz YRXICYFNJXOIFJ-ZJUUUORDSA-N 1 0 268.332 2.139 10 0 CEAERO Cc1ccc(C[NH+](C)C)cc1NC(=O)C[C@H](O)C(C)C ZINC000161940590 533867871 /nfs/dbraw/zinc/86/78/71/533867871.db2.gz CAOFDSTVYHUIKO-HNNXBMFYSA-N 1 0 278.396 2.402 10 0 CEAERO C[NH2+][C@](CSc1ccc(C)cc1C)(C(N)=O)C1CC1 ZINC000069186649 522532697 /nfs/dbraw/zinc/53/26/97/522532697.db2.gz NZFMLNAPENEEJW-HNNXBMFYSA-N 1 0 278.421 2.249 10 0 CEAERO COc1cc(Cl)ccc1C(=O)N1[C@H](C)C[NH2+]C[C@H]1C ZINC000069133025 522546048 /nfs/dbraw/zinc/54/60/48/522546048.db2.gz PCVJNXJWQYLSFF-NXEZZACHSA-N 1 0 282.771 2.171 10 0 CEAERO CC1(C)[C@H]2C[NH2+]C[C@@H]2CN1c1ncccc1Br ZINC000090338848 517517620 /nfs/dbraw/zinc/51/76/20/517517620.db2.gz RQMTZFQULRHRLB-ZJUUUORDSA-N 1 0 296.212 2.278 10 0 CEAERO CN(C[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)C1CCOCC1 ZINC000036321614 517932053 /nfs/dbraw/zinc/93/20/53/517932053.db2.gz ZADVRLANVOQQED-YDHLFZDLSA-N 1 0 252.402 2.018 10 0 CEAERO COC(=O)C(C)(C)Cn1nc(C)c(C[NH2+]CC(C)C)c1C ZINC000093718750 517981744 /nfs/dbraw/zinc/98/17/44/517981744.db2.gz USXZHFFWTUGFMK-UHFFFAOYSA-N 1 0 295.427 2.445 10 0 CEAERO Brc1ccc(N[C@H]2CC[N@@H+]3CCC[C@H]23)nc1 ZINC000049569101 518214541 /nfs/dbraw/zinc/21/45/41/518214541.db2.gz UZCONORTWVGOCU-WDEREUQCSA-N 1 0 282.185 2.493 10 0 CEAERO CC(C)(C)CC(C)(C)[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000069136524 518630117 /nfs/dbraw/zinc/63/01/17/518630117.db2.gz XIPOUPQAKLRGLS-LLVKDONJSA-N 1 0 261.431 2.368 10 0 CEAERO CC(C)(C)Cc1noc([C@@]2(C(F)(F)F)CC[NH2+]C2)n1 ZINC000068847789 518699622 /nfs/dbraw/zinc/69/96/22/518699622.db2.gz KJRPPRUMYDBMSG-LLVKDONJSA-N 1 0 277.290 2.452 10 0 CEAERO CC(C)(C)[NH2+]CCSc1nnc2ccccn21 ZINC000061407626 518759257 /nfs/dbraw/zinc/75/92/57/518759257.db2.gz NBCGXLGCFGLASW-UHFFFAOYSA-N 1 0 250.371 2.210 10 0 CEAERO CC(C)(C)[NH2+]Cc1ccc(OCCC(N)=O)c(Cl)c1 ZINC000062730233 518763721 /nfs/dbraw/zinc/76/37/21/518763721.db2.gz CNSHAUAOTBLHLJ-UHFFFAOYSA-N 1 0 284.787 2.482 10 0 CEAERO CC(C)(C)[C@@H]1C[NH2+]CCN1Cc1cn2ccccc2n1 ZINC000068696001 518945763 /nfs/dbraw/zinc/94/57/63/518945763.db2.gz FKXMGDIKGTZYNQ-AWEZNQCLSA-N 1 0 272.396 2.154 10 0 CEAERO CC(C)C[C@H]1CSC(N[C@@H](C)Cn2ccnc2)=[NH+]1 ZINC000049236458 519417482 /nfs/dbraw/zinc/41/74/82/519417482.db2.gz XKKDHVLQMVYBJN-RYUDHWBXSA-N 1 0 266.414 2.379 10 0 CEAERO CC(C)N(C)CC[NH2+]C[C@H](O)CO[C@@H](C)c1ccccc1 ZINC000054112618 519625838 /nfs/dbraw/zinc/62/58/38/519625838.db2.gz FPCDHCYDLLUTBP-RDJZCZTQSA-N 1 0 294.439 2.055 10 0 CEAERO CC(C)CCNC(=O)[C@H](C)[NH2+][C@H](CC(C)C)CN(C)C ZINC000049555871 519660632 /nfs/dbraw/zinc/66/06/32/519660632.db2.gz VINVOPJPYFQBRQ-LSDHHAIUSA-N 1 0 285.476 2.103 10 0 CEAERO CC(C)[NH+]1CCC(NC(=O)c2ccc(N)c(F)c2)CC1 ZINC000063010373 519671923 /nfs/dbraw/zinc/67/19/23/519671923.db2.gz OISIWGGIYFYZOU-UHFFFAOYSA-N 1 0 279.359 2.011 10 0 CEAERO CC(C)[NH2+]CCCOc1cc(C(N)=O)c2ccccc2n1 ZINC000068771687 519720496 /nfs/dbraw/zinc/72/04/96/519720496.db2.gz GGMDCXQJSGJGFF-UHFFFAOYSA-N 1 0 287.363 2.101 10 0 CEAERO CC(C)[NH2+]CCS(=O)(=O)N(Cc1ccccc1)C(C)C ZINC000049641262 519722299 /nfs/dbraw/zinc/72/22/99/519722299.db2.gz TYPZEEAGNWSRTH-UHFFFAOYSA-N 1 0 298.452 2.225 10 0 CEAERO CC(C)[NH2+]CCS(=O)(=O)Nc1cccc(Cl)c1 ZINC000049641593 519722372 /nfs/dbraw/zinc/72/23/72/519722372.db2.gz VHPZJBUXQRGMIX-UHFFFAOYSA-N 1 0 276.789 2.080 10 0 CEAERO CC(C)[NH2+]C[C@H](Cc1nnnn1-c1ccccc1)C(C)C ZINC000052972325 519724604 /nfs/dbraw/zinc/72/46/04/519724604.db2.gz YJQIVAIRLHUGIZ-AWEZNQCLSA-N 1 0 287.411 2.475 10 0 CEAERO CC(C)C[NH+]1CCN(CCNc2ccccc2)CC1 ZINC000055075821 519726047 /nfs/dbraw/zinc/72/60/47/519726047.db2.gz VDLYOAPYGKKQFY-UHFFFAOYSA-N 1 0 261.413 2.372 10 0 CEAERO CC(C)[NH2+]Cc1ccc(OC2CCOCC2)nc1 ZINC000051522268 519726769 /nfs/dbraw/zinc/72/67/69/519726769.db2.gz BOJSPMPQBZKXIP-UHFFFAOYSA-N 1 0 250.342 2.137 10 0 CEAERO CC(C)C[NH+]1CCN(Cc2cccc(C(N)=S)c2)CC1 ZINC000055079503 519727188 /nfs/dbraw/zinc/72/71/88/519727188.db2.gz MTBUZHIITKCCSJ-UHFFFAOYSA-N 1 0 291.464 2.094 10 0 CEAERO CC(C)[NH2+]Cc1cccc(CN2CCOC[C@H]2C)c1 ZINC000052475777 519727353 /nfs/dbraw/zinc/72/73/53/519727353.db2.gz ZRHOAIFROINMFT-CQSZACIVSA-N 1 0 262.397 2.405 10 0 CEAERO CC(C)[NH2+]Cc1cnn(CCCOCC(F)(F)F)c1 ZINC000054719785 519728398 /nfs/dbraw/zinc/72/83/98/519728398.db2.gz NOMHPBFGCNNUHT-UHFFFAOYSA-N 1 0 279.306 2.350 10 0 CEAERO CC(C)[NH2+]Cc1nnnn1[C@@H](C)Cc1ccsc1 ZINC000054748077 519729611 /nfs/dbraw/zinc/72/96/11/519729611.db2.gz GYWAAUMQQRMHAT-JTQLQIEISA-N 1 0 265.386 2.036 10 0 CEAERO CC(C)[NH2+]Cc1occc1COC[C@@H]1CCCO1 ZINC000052626004 519730158 /nfs/dbraw/zinc/73/01/58/519730158.db2.gz WLSTZSZHWGSFGC-ZDUSSCGKSA-N 1 0 253.342 2.473 10 0 CEAERO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H](C)C(C)C)C1 ZINC000156584031 519731477 /nfs/dbraw/zinc/73/14/77/519731477.db2.gz PRFQVURSEUNQPY-UONOGXRCSA-N 1 0 269.433 2.308 10 0 CEAERO CC(C)CNC(=O)[C@@H](C)Oc1cc(F)ccc1[C@@H](C)[NH3+] ZINC000062745666 519739125 /nfs/dbraw/zinc/73/91/25/519739125.db2.gz LOZQZUUVRNEGDZ-GHMZBOCLSA-N 1 0 282.359 2.385 10 0 CEAERO CC(C)C[NH2+]C[C@@](C)(O)c1ccc2c(c1)OCCCO2 ZINC000055033475 519745582 /nfs/dbraw/zinc/74/55/82/519745582.db2.gz NUHAJGVVBBCECC-MRXNPFEDSA-N 1 0 279.380 2.301 10 0 CEAERO CC(C)C[NH2+]Cc1cc(Cl)ccc1O[C@@H](C)C(N)=O ZINC000062730898 519746764 /nfs/dbraw/zinc/74/67/64/519746764.db2.gz HMXDEMSDRQOWFZ-JTQLQIEISA-N 1 0 284.787 2.338 10 0 CEAERO CC(C)C[NH2+]Cc1ccc(OCCC(=O)N(C)C)cc1 ZINC000062728989 519747509 /nfs/dbraw/zinc/74/75/09/519747509.db2.gz JTZBCDIMOGZAEH-UHFFFAOYSA-N 1 0 278.396 2.289 10 0 CEAERO CC(C)C[NH2+]Cc1cccc(N2CCSCC2)n1 ZINC000051437884 519747512 /nfs/dbraw/zinc/74/75/12/519747512.db2.gz OKOCTZDAFJMMIS-UHFFFAOYSA-N 1 0 265.426 2.380 10 0 CEAERO CC(C)OCCN1C[C@@H](C)[NH2+]C[C@H]1c1ccccc1 ZINC000062660349 519766545 /nfs/dbraw/zinc/76/65/45/519766545.db2.gz SYYJABWWCMMCEK-ZBFHGGJFSA-N 1 0 262.397 2.446 10 0 CEAERO CC(C)Oc1cccc(C(=O)N2CC[C@H](C)[C@H]([NH3+])C2)c1 ZINC000070145226 519782337 /nfs/dbraw/zinc/78/23/37/519782337.db2.gz FINYZDHFVWTAKH-SWLSCSKDSA-N 1 0 276.380 2.283 10 0 CEAERO CC(C)[C@@H]([NH2+]C[C@@H](O)Cn1cccn1)c1cccs1 ZINC000049556097 519798952 /nfs/dbraw/zinc/79/89/52/519798952.db2.gz UEPVJTAJKUHPTR-TZMCWYRMSA-N 1 0 279.409 2.292 10 0 CEAERO CC(C)[C@@H]1CC[C@@H](O)[C@H]([N@@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000061652563 519803476 /nfs/dbraw/zinc/80/34/76/519803476.db2.gz PEBFIHRRDRKQIQ-KLHDSHLOSA-N 1 0 268.445 2.198 10 0 CEAERO CC(C)[C@@H]1CC[C@H](O)[C@H]([N@@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000061652561 519803580 /nfs/dbraw/zinc/80/35/80/519803580.db2.gz PEBFIHRRDRKQIQ-FPCVCCKLSA-N 1 0 268.445 2.198 10 0 CEAERO CC(C)[C@@H]1CN([C@@H]2CCOC2)[C@H](c2ccccc2)C[NH2+]1 ZINC000068703804 519804690 /nfs/dbraw/zinc/80/46/90/519804690.db2.gz MKJUAQDVMLHZMA-IKGGRYGDSA-N 1 0 274.408 2.446 10 0 CEAERO CC(C)[C@H](CN(C)C)[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000049197086 519814541 /nfs/dbraw/zinc/81/45/41/519814541.db2.gz PHOMLDXZHLNKLT-AWEZNQCLSA-N 1 0 278.396 2.134 10 0 CEAERO CC(C)c1[nH+]c2cc(N)ccc2n1CCCC(N)=O ZINC000052853088 519869490 /nfs/dbraw/zinc/86/94/90/519869490.db2.gz CLMGFOIUDPGCDB-UHFFFAOYSA-N 1 0 260.341 2.007 10 0 CEAERO CCOCCC[NH2+]CCN(C)c1cccc(OC)c1 ZINC000053427084 519897088 /nfs/dbraw/zinc/89/70/88/519897088.db2.gz RZRPQDDIEFKBGU-UHFFFAOYSA-N 1 0 266.385 2.148 10 0 CEAERO CCCC1CC[NH+](CCC[C@@](C)([NH2+]C)C(=O)[O-])CC1 ZINC000050905635 519900750 /nfs/dbraw/zinc/90/07/50/519900750.db2.gz HHULHMQOBIQFKJ-OAHLLOKOSA-N 1 0 270.417 2.341 10 0 CEAERO CCCC1CC[NH+](C[C@@H](NC(C)C)C(=O)OC)CC1 ZINC000050905886 519901521 /nfs/dbraw/zinc/90/15/21/519901521.db2.gz CUNJMRPFIFFLPZ-CQSZACIVSA-N 1 0 270.417 2.038 10 0 CEAERO CCCC1CC[NH+](C[C@@H](NC2CC2)C(=O)OCC)CC1 ZINC000050905902 519901545 /nfs/dbraw/zinc/90/15/45/519901545.db2.gz MKSZBJNKURVUAD-OAHLLOKOSA-N 1 0 282.428 2.182 10 0 CEAERO CC[NH2+]C(C)(C)C(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000061290462 519906558 /nfs/dbraw/zinc/90/65/58/519906558.db2.gz YCXOHOFNORHQLS-UHFFFAOYSA-N 1 0 298.770 2.438 10 0 CEAERO CC[NH2+]C(C)(C)CN1CCN(c2cccc(OC)c2)CC1 ZINC000061299640 519908368 /nfs/dbraw/zinc/90/83/68/519908368.db2.gz IBLUQIYXJKFCTN-UHFFFAOYSA-N 1 0 291.439 2.205 10 0 CEAERO CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C[C@@H]1CCOC1 ZINC000061148369 519909553 /nfs/dbraw/zinc/90/95/53/519909553.db2.gz ZADNNYNDEDBUNE-AVOUXACISA-N 1 0 252.402 2.018 10 0 CEAERO CC[NH2+]C1CCN(c2ccc(F)cc2OC)CC1 ZINC000049568599 519909617 /nfs/dbraw/zinc/90/96/17/519909617.db2.gz BCEVEMVGYORKHC-UHFFFAOYSA-N 1 0 252.333 2.413 10 0 CEAERO CCC[NH2+]CCNc1ncccc1Br ZINC000054267397 519918390 /nfs/dbraw/zinc/91/83/90/519918390.db2.gz QSGFMAZOQFPQMP-UHFFFAOYSA-N 1 0 258.163 2.256 10 0 CEAERO CC[NH2+]CCC(=O)Nc1cccc(NC(=O)CC)c1C ZINC000061292933 519918474 /nfs/dbraw/zinc/91/84/74/519918474.db2.gz OAEKWVVCQHKFDE-UHFFFAOYSA-N 1 0 277.368 2.282 10 0 CEAERO CCC[NH2+]C[C@@H]1CC[C@@H](Cn2nc(C)cc2C)O1 ZINC000052575918 519923879 /nfs/dbraw/zinc/92/38/79/519923879.db2.gz IEKNTIMCDAAFCY-KBPBESRZSA-N 1 0 251.374 2.047 10 0 CEAERO CC[NH2+]CC[C@H](C)N1CCN(c2ccc(F)cc2)CC1 ZINC000052418226 519928458 /nfs/dbraw/zinc/92/84/58/519928458.db2.gz HWCGAHZSXXOAMG-AWEZNQCLSA-N 1 0 279.403 2.336 10 0 CEAERO CCC[NH2+]C[C@H](C)c1c(C)nc(CCOC)nc1C ZINC000054854933 519930986 /nfs/dbraw/zinc/93/09/86/519930986.db2.gz KQERHLFGAFXYRH-NSHDSACASA-N 1 0 265.401 2.385 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N(C)CCOc1cccc(Cl)c1 ZINC000061235615 519931098 /nfs/dbraw/zinc/93/10/98/519931098.db2.gz UHXXFXDXOXGQPG-GFCCVEGCSA-N 1 0 298.814 2.423 10 0 CEAERO CCC[NH2+]C[C@H](c1ccccc1)N(C)CCOC ZINC000052572969 519934243 /nfs/dbraw/zinc/93/42/43/519934243.db2.gz WQORZRKIADIMMY-OAHLLOKOSA-N 1 0 250.386 2.306 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)N[C@H](C)COc1ccc(C)cc1 ZINC000061266900 519937459 /nfs/dbraw/zinc/93/74/59/519937459.db2.gz RREOIRHBDGUBCY-ZIAGYGMSSA-N 1 0 278.396 2.124 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccc(Br)cn1 ZINC000061228718 519940707 /nfs/dbraw/zinc/94/07/07/519940707.db2.gz SUGLOLQHAQNYHJ-MRVPVSSYSA-N 1 0 286.173 2.028 10 0 CEAERO CCC[NH2+]Cc1c(C)nc(N(CC)CC)nc1C ZINC000054854248 519943221 /nfs/dbraw/zinc/94/32/21/519943221.db2.gz ANWNEAHWUFIOMQ-UHFFFAOYSA-N 1 0 250.390 2.439 10 0 CEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccccc1COCC ZINC000061230413 519943419 /nfs/dbraw/zinc/94/34/19/519943419.db2.gz AOUHRFXINBKVAR-GFCCVEGCSA-N 1 0 264.369 2.407 10 0 CEAERO CC[NH2+]C[C@@H](O)c1ccc(OC)c(Br)c1 ZINC000049867973 519946252 /nfs/dbraw/zinc/94/62/52/519946252.db2.gz FZJNFKZIQJBZRT-SNVBAGLBSA-N 1 0 274.158 2.101 10 0 CEAERO CC[NH2+]C[C@@H]1CC[C@H](CN2CCc3ccccc32)O1 ZINC000052420350 519955209 /nfs/dbraw/zinc/95/52/09/519955209.db2.gz CEVIFLJBTAGVIE-LSDHHAIUSA-N 1 0 260.381 2.206 10 0 CEAERO CCC[NH2+]Cc1ccccc1CN1CCO[C@@H](C)C1 ZINC000052382734 519956864 /nfs/dbraw/zinc/95/68/64/519956864.db2.gz DBEKCBOZSFNUHZ-AWEZNQCLSA-N 1 0 262.397 2.407 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N1CCC[C@H]1C1CCCC1 ZINC000061268044 519960827 /nfs/dbraw/zinc/96/08/27/519960827.db2.gz JYPFLOFUHMAUMW-JSGCOSHPSA-N 1 0 252.402 2.413 10 0 CEAERO CC(C)n1cc(N)cc1C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000049500480 519962297 /nfs/dbraw/zinc/96/22/97/519962297.db2.gz JPHHNJPQHJAGDY-ZDUSSCGKSA-N 1 0 292.427 2.255 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)N[C@@H](C)c1ccccc1F ZINC000061234496 519964792 /nfs/dbraw/zinc/96/47/92/519964792.db2.gz BHYCKCZJYVDBEX-QWRGUYRKSA-N 1 0 252.333 2.249 10 0 CEAERO CC[NH2+]C[C@H](C)C(=O)Nc1cc(-c2nnco2)ccc1C ZINC000061232148 519965719 /nfs/dbraw/zinc/96/57/19/519965719.db2.gz PXBJBKFNRZYDOY-NSHDSACASA-N 1 0 288.351 2.229 10 0 CEAERO CC[NH2+]C[C@H](O)c1cc(Br)ccc1F ZINC000055027680 519973027 /nfs/dbraw/zinc/97/30/27/519973027.db2.gz ORWXTNFCRXEIRI-JTQLQIEISA-N 1 0 262.122 2.231 10 0 CEAERO CC[NH2+]C[C@H](Cc1cnn(C)c1)Cc1ccccc1OC ZINC000052980277 519973420 /nfs/dbraw/zinc/97/34/20/519973420.db2.gz ZTWKLSNWSOCMPT-CQSZACIVSA-N 1 0 287.407 2.440 10 0 CEAERO CC[NH2+]Cc1c(C)nn(C)c1N1Cc2ccccc2C1 ZINC000050911766 519984374 /nfs/dbraw/zinc/98/43/74/519984374.db2.gz POFRBAIHTARKMV-UHFFFAOYSA-N 1 0 270.380 2.358 10 0 CEAERO CC[NH2+]Cc1cc(C)ccc1OCCCC(=O)NC ZINC000068817045 519984423 /nfs/dbraw/zinc/98/44/23/519984423.db2.gz ZIEIABZWRSYXJR-UHFFFAOYSA-N 1 0 264.369 2.010 10 0 CEAERO CC[NH2+]Cc1cc(C)c(OC[C@@H](O)COCC)c(C)c1 ZINC000069274789 519985195 /nfs/dbraw/zinc/98/51/95/519985195.db2.gz SQHKIURVPPSNBY-HNNXBMFYSA-N 1 0 281.396 2.189 10 0 CEAERO CCC[NH2+][C@@H](C)[C@@H]1CCCN(c2ccnc(N(C)C)n2)C1 ZINC000068689902 519987764 /nfs/dbraw/zinc/98/77/64/519987764.db2.gz IYFOKJGICOKEFX-UONOGXRCSA-N 1 0 291.443 2.147 10 0 CEAERO CCC[NH2+][C@@H](C)c1cccc(O[C@H](CC)C(N)=O)c1 ZINC000061675864 519988416 /nfs/dbraw/zinc/98/84/16/519988416.db2.gz PGRANUQYUWVQMU-SMDDNHRTSA-N 1 0 264.369 2.390 10 0 CEAERO CCC[NH2+][C@@H](C)c1ccccc1Sc1n[nH]c(=O)n1C ZINC000061592957 519990418 /nfs/dbraw/zinc/99/04/18/519990418.db2.gz VBIULDUADSGBCD-JTQLQIEISA-N 1 0 292.408 2.320 10 0 CEAERO CC[NH2+]Cc1cc(Cl)ccc1OCCCC(=O)NC ZINC000068816182 519990567 /nfs/dbraw/zinc/99/05/67/519990567.db2.gz CQXCVPKMGDJVEI-UHFFFAOYSA-N 1 0 284.787 2.355 10 0 CEAERO CC[NH2+]Cc1cc(CN2CCOC[C@@H]2CC)c(C)o1 ZINC000052481630 519990888 /nfs/dbraw/zinc/99/08/88/519990888.db2.gz DHQPUXVYUPGRCO-AWEZNQCLSA-N 1 0 266.385 2.308 10 0 CEAERO CCC[NH2+][C@@H](C)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000062365963 519991573 /nfs/dbraw/zinc/99/15/73/519991573.db2.gz NKTTUOKYXKGHNV-VIFPVBQESA-N 1 0 261.325 2.395 10 0 CEAERO CC[NH2+]Cc1ccc(OCCN2CCOC(C)(C)C2)cc1 ZINC000052481824 519999714 /nfs/dbraw/zinc/99/97/14/519999714.db2.gz MPDQLMJFOKRCTC-UHFFFAOYSA-N 1 0 292.423 2.286 10 0 CEAERO CCC[NH2+][C@@H](Cc1cc(C)ccc1C)CS(C)(=O)=O ZINC000052789229 520014101 /nfs/dbraw/zinc/01/41/01/520014101.db2.gz MZAXCDIJUOKQIE-HNNXBMFYSA-N 1 0 283.437 2.259 10 0 CEAERO CC[NH2+]Cc1cnc(Cc2ccc(OC)c(OC)c2)nc1 ZINC000054855634 520015204 /nfs/dbraw/zinc/01/52/04/520015204.db2.gz GTOUMUAUOWDTKF-UHFFFAOYSA-N 1 0 287.363 2.194 10 0 CEAERO CC[NH2+]Cc1cnc(Cc2ccccc2OC)nc1 ZINC000054855692 520015509 /nfs/dbraw/zinc/01/55/09/520015509.db2.gz ZAHLHSGGQSFWAT-UHFFFAOYSA-N 1 0 257.337 2.186 10 0 CEAERO CCC[NH2+][C@@H](Cn1ncc2ccccc2c1=O)C1CC1 ZINC000069076607 520016271 /nfs/dbraw/zinc/01/62/71/520016271.db2.gz YNBZWTVZKSDIRI-HNNXBMFYSA-N 1 0 271.364 2.175 10 0 CEAERO CCC[NH2+][C@@H]1CCN(c2ccc(OC)cc2C)C1=O ZINC000061567984 520024158 /nfs/dbraw/zinc/02/41/58/520024158.db2.gz YBFCMXYYXLPLEI-CYBMUJFWSA-N 1 0 262.353 2.109 10 0 CEAERO CC[NH2+]Cc1nnnn1[C@H](C)c1ccc(Cl)cc1 ZINC000054747656 520027607 /nfs/dbraw/zinc/02/76/07/520027607.db2.gz YNFHHLPBYYVCRE-SECBINFHSA-N 1 0 265.748 2.045 10 0 CEAERO CCCN[C@@](C[N@H+](C)C(C)(C)CC)(C(=O)OC)C1CC1 ZINC000069446927 520047125 /nfs/dbraw/zinc/04/71/25/520047125.db2.gz QUFDBZLJPJDSGP-MRXNPFEDSA-N 1 0 284.444 2.428 10 0 CEAERO CCCN[C@@](C[N@H+](CC)CCC)(C(=O)OCC)C1CC1 ZINC000069098046 520052616 /nfs/dbraw/zinc/05/26/16/520052616.db2.gz COOMGSNOQBKWKY-MRXNPFEDSA-N 1 0 284.444 2.430 10 0 CEAERO CCCN[C@@](C[NH+]1CCC(C)(C)CC1)(C(=O)OC)C1CC1 ZINC000069232019 520053302 /nfs/dbraw/zinc/05/33/02/520053302.db2.gz PGOPQLCNBBFEAO-QGZVFWFLSA-N 1 0 296.455 2.430 10 0 CEAERO CCC[NH2+][C@@](COCC1CCCCC1)(C(N)=O)C1CC1 ZINC000069198421 520054678 /nfs/dbraw/zinc/05/46/78/520054678.db2.gz KNIKDYVMPAJANV-MRXNPFEDSA-N 1 0 282.428 2.217 10 0 CEAERO CCC[NH2+][C@@](COc1ccc(C)cc1C)(C(N)=O)C1CC1 ZINC000069196983 520056678 /nfs/dbraw/zinc/05/66/78/520056678.db2.gz FVWWVUSZARVIIT-QGZVFWFLSA-N 1 0 290.407 2.316 10 0 CEAERO CCC[NH2+][C@H](C(N)=O)c1ccc(OCCC)cc1 ZINC000052920239 520062425 /nfs/dbraw/zinc/06/24/25/520062425.db2.gz BPRDAGYFZKCWRB-ZDUSSCGKSA-N 1 0 250.342 2.001 10 0 CEAERO CCC[NH2+][C@H](C)c1ccc(-n2ccc(C(N)=O)n2)c(F)c1 ZINC000070328094 520063474 /nfs/dbraw/zinc/06/34/74/520063474.db2.gz IVFRCPNWSTYJRO-SNVBAGLBSA-N 1 0 290.342 2.171 10 0 CEAERO CCC[NH2+][C@H](C)c1c(F)cccc1N1CC[C@H](O)C1 ZINC000061710659 520063983 /nfs/dbraw/zinc/06/39/83/520063983.db2.gz FZSJQBIURWONRA-NEPJUHHUSA-N 1 0 266.360 2.457 10 0 CEAERO CCC[NH2+][C@H](C)[C@H](CCS(=O)(=O)CC)C(C)C ZINC000061687216 520064347 /nfs/dbraw/zinc/06/43/47/520064347.db2.gz YDGSRQPAMDKKCA-CHWSQXEVSA-N 1 0 263.447 2.472 10 0 CEAERO CC[NH2+][C@@H](C)CCCCN1C(=O)Cc2ccccc2C1=O ZINC000045604431 520071154 /nfs/dbraw/zinc/07/11/54/520071154.db2.gz XMMNJWJXVIBAKA-ZDUSSCGKSA-N 1 0 288.391 2.380 10 0 CEAERO CC[NH2+][C@@H](C)c1cccc(NC(=O)N[C@H](C)C(=O)OC)c1 ZINC000049365381 520077689 /nfs/dbraw/zinc/07/76/89/520077689.db2.gz QSUYNELFAOXXDS-WDEREUQCSA-N 1 0 293.367 2.040 10 0 CEAERO CCC[NH2+][C@H](CCOc1ccc(OCCC)cc1)C(N)=O ZINC000062594352 520078366 /nfs/dbraw/zinc/07/83/66/520078366.db2.gz YBJLXHPFXYSCMR-OAHLLOKOSA-N 1 0 294.395 2.098 10 0 CEAERO CC[NH2+][C@@H](C)c1ccccc1OCCC(=O)OC ZINC000069317076 520078651 /nfs/dbraw/zinc/07/86/51/520078651.db2.gz BGZJDMNBJYLMRA-NSHDSACASA-N 1 0 251.326 2.299 10 0 CEAERO CC[NH2+][C@@H](C)c1nnc(-c2cccc3c2OCCO3)o1 ZINC000050618959 520082464 /nfs/dbraw/zinc/08/24/64/520082464.db2.gz BJAZKDPOBMLKRT-VIFPVBQESA-N 1 0 275.308 2.178 10 0 CEAERO CC[NH2+][C@@H](C)c1nnn(-c2cccc(COC)c2)c1C ZINC000049511467 520082582 /nfs/dbraw/zinc/08/25/82/520082582.db2.gz RAGGSOQUQXHCBR-NSHDSACASA-N 1 0 274.368 2.393 10 0 CEAERO CCC[NH2+][C@H](CS(C)(=O)=O)c1ccc(F)cc1C ZINC000055228751 520085193 /nfs/dbraw/zinc/08/51/93/520085193.db2.gz KFGNKWMIMHTOLN-CYBMUJFWSA-N 1 0 273.373 2.219 10 0 CEAERO CCC[NH2+][C@H](Cc1ccc(Cl)cc1)CS(C)(=O)=O ZINC000052789170 520086777 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ZINC000054559497 520122319 /nfs/dbraw/zinc/12/23/19/520122319.db2.gz RUEXHHCBHRUWJQ-ARFHVFGLSA-N 1 0 268.445 2.369 10 0 CEAERO CCC[NH2+][C@](COc1cccc(C)c1)(C(N)=O)C1CC1 ZINC000069197411 520124358 /nfs/dbraw/zinc/12/43/58/520124358.db2.gz QIDJCFRPXBPLTJ-INIZCTEOSA-N 1 0 276.380 2.008 10 0 CEAERO CC[NH2+][C@@](C)(C[C@@H](C)Oc1ccc(C)cc1C)C(N)=O ZINC000068655178 520143027 /nfs/dbraw/zinc/14/30/27/520143027.db2.gz VEPYQGVYFREOEV-CJNGLKHVSA-N 1 0 278.396 2.314 10 0 CEAERO CCN[C@@](C[N@H+](C)C(C)(C)CC)(C(N)=O)c1ccccc1 ZINC000069446806 520147729 /nfs/dbraw/zinc/14/77/29/520147729.db2.gz YBRNIAZWRRAFIR-QGZVFWFLSA-N 1 0 291.439 2.097 10 0 CEAERO CCCNc1ccc(C(=O)N[C@H](C)C[NH+](CC)CC)cn1 ZINC000050780571 520150441 /nfs/dbraw/zinc/15/04/41/520150441.db2.gz KCHOAGHSPNFRID-CYBMUJFWSA-N 1 0 292.427 2.364 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000061268906 520168463 /nfs/dbraw/zinc/16/84/63/520168463.db2.gz CHOOKBXTCDKVQS-SNVBAGLBSA-N 1 0 266.341 2.030 10 0 CEAERO CC[NH2+][C@H](C)CC(=O)Nc1cccc(COCCOC)c1 ZINC000061271517 520170239 /nfs/dbraw/zinc/17/02/39/520170239.db2.gz YECZOUCXOHDHSR-CYBMUJFWSA-N 1 0 294.395 2.176 10 0 CEAERO CC[NH2+][C@H](C)c1nnc(-c2cccc3c2OCCO3)o1 ZINC000050618960 520182642 /nfs/dbraw/zinc/18/26/42/520182642.db2.gz BJAZKDPOBMLKRT-SECBINFHSA-N 1 0 275.308 2.178 10 0 CEAERO CC[NH2+][C@H](CCSc1cc(C)ccc1C)C(N)=O ZINC000062600235 520194272 /nfs/dbraw/zinc/19/42/72/520194272.db2.gz XBTUAGGJSGYBDN-GFCCVEGCSA-N 1 0 266.410 2.249 10 0 CEAERO CC[NH2+][C@H](c1cc(OC)c(OC)cc1C)[C@@H]1COCCO1 ZINC000055300914 520206323 /nfs/dbraw/zinc/20/63/23/520206323.db2.gz SHLSKPXPAUPKJR-JKSUJKDBSA-N 1 0 295.379 2.078 10 0 CEAERO CC[NH2+][C@H](c1cc(C)ccc1OCC)[C@H]1COCCO1 ZINC000055301434 520206636 /nfs/dbraw/zinc/20/66/36/520206636.db2.gz RLEFWSXZMKGCRC-HZPDHXFCSA-N 1 0 279.380 2.460 10 0 CEAERO CC[NH2+][C@H](c1ccc(F)cc1F)[C@@H]1COCCO1 ZINC000055300068 520207788 /nfs/dbraw/zinc/20/77/88/520207788.db2.gz XZEIUFBPHLCJJP-QWHCGFSZSA-N 1 0 257.280 2.031 10 0 CEAERO CC[NH2+][C@H](c1ccc(CC)s1)[C@@H]1COCCO1 ZINC000055299855 520208445 /nfs/dbraw/zinc/20/84/45/520208445.db2.gz UWYANTSKBGAFJP-AAEUAGOBSA-N 1 0 255.383 2.377 10 0 CEAERO CC[NH2+][C@H](c1ccc(Cl)cc1)[C@H]1COCCO1 ZINC000055299898 520208487 /nfs/dbraw/zinc/20/84/87/520208487.db2.gz FEGVLAJPLFEMAP-CHWSQXEVSA-N 1 0 255.745 2.406 10 0 CEAERO CC[NH2+][C@H](c1ccc2c(c1)NC(=O)CO2)[C@@H]1CCCCO1 ZINC000050962254 520209653 /nfs/dbraw/zinc/20/96/53/520209653.db2.gz CPTJJHCBMRGFEQ-GOEBONIOSA-N 1 0 290.363 2.237 10 0 CEAERO CC[NH2+][C@H]1COc2cc(OCc3ccno3)ccc21 ZINC000062804654 520221051 /nfs/dbraw/zinc/22/10/51/520221051.db2.gz AHJIWWOOZGQROJ-ZDUSSCGKSA-N 1 0 260.293 2.297 10 0 CEAERO CC[NH2+][C@H]1COc2cc(OCC(=O)OC(C)C)ccc21 ZINC000062804552 520222030 /nfs/dbraw/zinc/22/20/30/520222030.db2.gz TVAYUPZSXQDHJJ-ZDUSSCGKSA-N 1 0 279.336 2.060 10 0 CEAERO CC[NH2+][C@](C)(C[C@@H](C)Oc1ccc(C)cc1OC)C(N)=O ZINC000068657121 520235431 /nfs/dbraw/zinc/23/54/31/520235431.db2.gz UMZZEHJUVXKWTE-MLGOLLRUSA-N 1 0 294.395 2.015 10 0 CEAERO CCCOCCC(=O)N[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC000054435276 520253436 /nfs/dbraw/zinc/25/34/36/520253436.db2.gz LCKXPHVVNMNQKH-CQSZACIVSA-N 1 0 282.428 2.374 10 0 CEAERO CCNc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000050779354 520292387 /nfs/dbraw/zinc/29/23/87/520292387.db2.gz GHTAFGDRIMOQLD-CQSZACIVSA-N 1 0 273.380 2.085 10 0 CEAERO CCN(CC(=O)N(C)C)c1ccccc1C[NH2+]CC(C)C ZINC000062737299 520304422 /nfs/dbraw/zinc/30/44/22/520304422.db2.gz FOYXWOVCOYPBHV-UHFFFAOYSA-N 1 0 291.439 2.347 10 0 CEAERO CCNc1ccc(CN2CC[C@@H]([NH+]3CCCC3)C2)cn1 ZINC000062969526 520304532 /nfs/dbraw/zinc/30/45/32/520304532.db2.gz WIBDAYDUDPJLEG-OAHLLOKOSA-N 1 0 274.412 2.184 10 0 CEAERO CCNc1cccc(C(=O)N(C)C2CC[NH+](CC)CC2)n1 ZINC000051071842 520331829 /nfs/dbraw/zinc/33/18/29/520331829.db2.gz MSVGMZLAXUEFEL-UHFFFAOYSA-N 1 0 290.411 2.070 10 0 CEAERO CCCCCn1nc(C)c(C[NH2+]CCOC)c1C ZINC000054717643 520335813 /nfs/dbraw/zinc/33/58/13/520335813.db2.gz CZFABHHIOWFIEB-UHFFFAOYSA-N 1 0 253.390 2.426 10 0 CEAERO CCNc1ncc(C(=O)NCC[NH+](CC)CC)cc1Cl ZINC000050727166 520365008 /nfs/dbraw/zinc/36/50/08/520365008.db2.gz IIZKXDNPCIKZMS-UHFFFAOYSA-N 1 0 298.818 2.238 10 0 CEAERO CCCOc1ccc(C[NH2+]CC)c(O[C@@H](CC)C(N)=O)c1 ZINC000061675896 520366358 /nfs/dbraw/zinc/36/63/58/520366358.db2.gz LVYJNBCMFMOHFB-AWEZNQCLSA-N 1 0 294.395 2.228 10 0 CEAERO CCCOc1ccc([C@H](C[NH3+])NC(=O)OCC)cc1 ZINC000052919372 520428482 /nfs/dbraw/zinc/42/84/82/520428482.db2.gz NJHIEKKJASTVNN-ZDUSSCGKSA-N 1 0 266.341 2.221 10 0 CEAERO CCCOc1cccc(-c2nnc(CC[NH2+]C)o2)c1 ZINC000061668460 520438803 /nfs/dbraw/zinc/43/88/03/520438803.db2.gz FNSRXXFBGIIHHC-UHFFFAOYSA-N 1 0 261.325 2.287 10 0 CEAERO CCCOc1cccc([C@@H]2[C@@H]([NH3+])CC(=O)N2C2CC2)c1 ZINC000070293941 520466229 /nfs/dbraw/zinc/46/62/29/520466229.db2.gz KMIWAQSDCYBULA-GOEBONIOSA-N 1 0 274.364 2.239 10 0 CEAERO CCCC[NH+](CCCC)C[C@](NC1CC1)(C(N)=O)C1CC1 ZINC000069096550 520495720 /nfs/dbraw/zinc/49/57/20/520495720.db2.gz WVKKXIAYSVAJOT-QGZVFWFLSA-N 1 0 295.471 2.275 10 0 CEAERO CCO[C@H](C[NH3+])CN(C)[C@@H](C)c1ccccc1F ZINC000062739947 520517752 /nfs/dbraw/zinc/51/77/52/520517752.db2.gz QUNJEDDUNBSZNM-NWDGAFQWSA-N 1 0 254.349 2.182 10 0 CEAERO CCO[C@H](C[NH3+])COc1ccc(Br)cc1F ZINC000062740445 520518254 /nfs/dbraw/zinc/51/82/54/520518254.db2.gz VVTHVACPWDAYAW-SECBINFHSA-N 1 0 292.148 2.331 10 0 CEAERO CCO[C@H](C[NH3+])CSc1nc2ccccc2[nH]1 ZINC000062740591 520519346 /nfs/dbraw/zinc/51/93/46/520519346.db2.gz DXBSHYGIVMWKIQ-SECBINFHSA-N 1 0 251.355 2.019 10 0 CEAERO CCCCNC(=O)COc1ccccc1[C@H](C)[NH3+] ZINC000049279633 520627079 /nfs/dbraw/zinc/62/70/79/520627079.db2.gz XTQSTSZIYLZOFL-NSHDSACASA-N 1 0 250.342 2.001 10 0 CEAERO CCOc1cc(C[NH3+])ccc1Oc1ccnc(C)n1 ZINC000054937322 520698010 /nfs/dbraw/zinc/69/80/10/520698010.db2.gz CVVUKJUWRHFXPO-UHFFFAOYSA-N 1 0 259.309 2.435 10 0 CEAERO CCCCOC(=O)COc1ccc2c(c1)OC[C@@H]2[NH2+]C ZINC000062804011 520712456 /nfs/dbraw/zinc/71/24/56/520712456.db2.gz VEFFRWLZIYIZSF-ZDUSSCGKSA-N 1 0 279.336 2.062 10 0 CEAERO CCOC(=O)CCn1c(CC)[nH+]c2cc(N)ccc21 ZINC000052854662 520719455 /nfs/dbraw/zinc/71/94/55/520719455.db2.gz WFPLFQPXRYFLRH-UHFFFAOYSA-N 1 0 261.325 2.134 10 0 CEAERO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc2c[nH]nc2c1 ZINC000061670733 520720978 /nfs/dbraw/zinc/72/09/78/520720978.db2.gz BCZGUOZOBJWFRD-LLVKDONJSA-N 1 0 274.368 2.023 10 0 CEAERO CC[NH+](CC)C[C@H](C)Nc1cc2c(cc1N)CCC(=O)N2 ZINC000045688753 520736012 /nfs/dbraw/zinc/73/60/12/520736012.db2.gz FUHVBVJCMKCXCV-NSHDSACASA-N 1 0 290.411 2.296 10 0 CEAERO CCOc1cc2c(cc1[C@H](O)C[NH2+]C1CC1)O[C@@H](C)C2 ZINC000055029087 520801872 /nfs/dbraw/zinc/80/18/72/520801872.db2.gz WSOXJOZZADYYCR-IINYFYTJSA-N 1 0 277.364 2.194 10 0 CEAERO CC[NH+](CC)[C@@H]1CCN(c2cc(Cl)ncn2)C1 ZINC000062983341 520848099 /nfs/dbraw/zinc/84/80/99/520848099.db2.gz VNFFLQXGDDOQKL-SNVBAGLBSA-N 1 0 254.765 2.051 10 0 CEAERO CCC[C@@]1(C(=O)NCc2cnc(C)s2)CCC[NH2+]C1 ZINC000062859623 520943267 /nfs/dbraw/zinc/94/32/67/520943267.db2.gz YDFYVNQNCDEKJX-CQSZACIVSA-N 1 0 281.425 2.238 10 0 CEAERO CCC[C@@]1(C(=O)Nc2ccc3c(c2)OCCO3)CC[NH2+]C1 ZINC000062889681 520944500 /nfs/dbraw/zinc/94/45/00/520944500.db2.gz BOGQAEONGOTIKU-MRXNPFEDSA-N 1 0 290.363 2.176 10 0 CEAERO CCC[C@@]1(C(=O)OC[C@H]2CCCCO2)CCC[NH2+]C1 ZINC000062871048 520948077 /nfs/dbraw/zinc/94/80/77/520948077.db2.gz NJQHDSYUOPPVFO-UKRRQHHQSA-N 1 0 269.385 2.269 10 0 CEAERO CC1CCC(NC(=O)[C@H]2CCC[C@@H](C)[C@@H]2[NH3+])CC1 ZINC000055124498 520951907 /nfs/dbraw/zinc/95/19/07/520951907.db2.gz MKIZLLRDJKFUFJ-UTAXJDLNSA-N 1 0 252.402 2.445 10 0 CEAERO CCC[C@@]1(c2nncn2CC(C)C)CCC[NH2+]C1 ZINC000062872795 520968456 /nfs/dbraw/zinc/96/84/56/520968456.db2.gz JMMLDPRWHKDBDF-CQSZACIVSA-N 1 0 250.390 2.355 10 0 CEAERO CCC[C@H](C)N(C)C(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000051090334 521032881 /nfs/dbraw/zinc/03/28/81/521032881.db2.gz QRWKEBBBJDCSDH-QMMMGPOBSA-N 1 0 270.764 2.281 10 0 CEAERO CCOC(=O)[C@@H](CC[N@H+](C)C1CCCC1)NC(C)C ZINC000062446277 521055089 /nfs/dbraw/zinc/05/50/89/521055089.db2.gz 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GUTFIRAYANGLAF-UHFFFAOYSA-N 1 0 257.403 2.114 10 0 CEAERO CC[N@H+](CC[C@H](NC(C)C)C(=O)OC)C1CCCC1 ZINC000062448566 521157102 /nfs/dbraw/zinc/15/71/02/521157102.db2.gz VGARYJLPIXFZFZ-AWEZNQCLSA-N 1 0 270.417 2.181 10 0 CEAERO CCC[C@H]([NH2+]C[C@@H](O)CN(C)C)c1cccs1 ZINC000049543908 521159866 /nfs/dbraw/zinc/15/98/66/521159866.db2.gz QUKXCUGIVOGKCJ-NEPJUHHUSA-N 1 0 256.415 2.101 10 0 CEAERO CCOC(=O)[C@@](C[N@H+](C)C(CC)CC)(NC)C1CC1 ZINC000069099508 521164632 /nfs/dbraw/zinc/16/46/32/521164632.db2.gz JABFGHXJKGOWQT-HNNXBMFYSA-N 1 0 270.417 2.038 10 0 CEAERO CCC[C@H]1CN(CCn2cccn2)C2(CCCC2)C[NH2+]1 ZINC000068702243 521221124 /nfs/dbraw/zinc/22/11/24/521221124.db2.gz WLMONSXJKKMZKD-HNNXBMFYSA-N 1 0 276.428 2.270 10 0 CEAERO CC[N@H+](C[C@@](NC(C)C)(C(=O)OC)C1CC1)C(C)C ZINC000069097165 521234143 /nfs/dbraw/zinc/23/41/43/521234143.db2.gz CXVWCQUFTZRALF-HNNXBMFYSA-N 1 0 270.417 2.037 10 0 CEAERO CCC[C@]1(C(=O)Nc2cc(C)on2)CCC[NH2+]C1 ZINC000062851872 521300508 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CCOc1cccc(C[NH2+]C(C)(C)C)c1OCC(=O)NC ZINC000062732675 521359547 /nfs/dbraw/zinc/35/95/47/521359547.db2.gz VWOITSLCSPVWKE-UHFFFAOYSA-N 1 0 294.395 2.098 10 0 CEAERO CCOc1cccc(C[NH2+]CCOC)c1OCC(F)F ZINC000062732758 521361380 /nfs/dbraw/zinc/36/13/80/521361380.db2.gz MYLARVJECHOKHA-UHFFFAOYSA-N 1 0 289.322 2.465 10 0 CEAERO CCCc1ccccc1-n1nnnc1C[NH2+]C(C)C ZINC000054762485 521431090 /nfs/dbraw/zinc/43/10/90/521431090.db2.gz RDRSELZWENHFLX-UHFFFAOYSA-N 1 0 259.357 2.113 10 0 CEAERO CCCc1ccccc1NS(=O)(=O)CCCC[NH3+] ZINC000049558170 521446542 /nfs/dbraw/zinc/44/65/42/521446542.db2.gz BGOPELNWGALJQZ-UHFFFAOYSA-N 1 0 270.398 2.120 10 0 CEAERO CCOc1ccccc1CN(C)C(=O)C(C)(C)[NH2+]C ZINC000061317611 521475389 /nfs/dbraw/zinc/47/53/89/521475389.db2.gz ZDCXIIOBZIHIRX-UHFFFAOYSA-N 1 0 264.369 2.042 10 0 CEAERO CCN(c1ccc(C(N)=[NH2+])cc1Cl)[C@@H](C)COC ZINC000062794254 521480584 /nfs/dbraw/zinc/48/05/84/521480584.db2.gz HUDNJIJKAFKZQT-VIFPVBQESA-N 1 0 269.776 2.485 10 0 CEAERO 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CCCc1[nH+]c2cc(N)ccc2n1[C@@H](C)C(=O)OC ZINC000052854614 521542219 /nfs/dbraw/zinc/54/22/19/521542219.db2.gz PLWCCISOIBAZMM-VIFPVBQESA-N 1 0 261.325 2.305 10 0 CEAERO CC[NH+]1CCC(C[NH2+]Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000050920872 521551888 /nfs/dbraw/zinc/55/18/88/521551888.db2.gz QYYOJBZSPHCBQI-UHFFFAOYSA-N 1 0 276.380 2.206 10 0 CEAERO CCOC(=O)c1ccccc1NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000062859313 521555026 /nfs/dbraw/zinc/55/50/26/521555026.db2.gz UGRPYCJYQWFOHT-INIZCTEOSA-N 1 0 290.363 2.192 10 0 CEAERO CCC(CC)N(CCOC)C(=O)[C@H]1CCC[C@H](C[NH3+])C1 ZINC000055161240 521557039 /nfs/dbraw/zinc/55/70/39/521557039.db2.gz ZYOVWVQWZRYTEC-KBPBESRZSA-N 1 0 284.444 2.415 10 0 CEAERO CCC(CC)N(CCOC)C(=O)[C@@]1(CC)CC[NH2+]C1 ZINC000062895504 521557056 /nfs/dbraw/zinc/55/70/56/521557056.db2.gz IQIYDDVSYNNMBL-HNNXBMFYSA-N 1 0 270.417 2.040 10 0 CEAERO CCCn1c(S[C@@H](c2ccco2)[C@@H]([NH3+])CC)n[nH]c1=O ZINC000061594887 521635455 /nfs/dbraw/zinc/63/54/55/521635455.db2.gz TUOKFCSTGWVSJP-GXSJLCMTSA-N 1 0 296.396 2.145 10 0 CEAERO CCCn1c(Sc2ccccc2[C@@H](C)[NH3+])n[nH]c1=O ZINC000061595900 521636416 /nfs/dbraw/zinc/63/64/16/521636416.db2.gz CQYSEIJOIGQPHY-SECBINFHSA-N 1 0 278.381 2.152 10 0 CEAERO CCS(=O)(=O)CCOc1cccc(C[NH2+]C(C)(C)C)c1 ZINC000062731305 521645017 /nfs/dbraw/zinc/64/50/17/521645017.db2.gz IDHWEOKOUAJBGG-UHFFFAOYSA-N 1 0 299.436 2.388 10 0 CEAERO CCCN(CCC[NH3+])C(=O)c1ccc2ncccc2c1 ZINC000061410299 521653417 /nfs/dbraw/zinc/65/34/17/521653417.db2.gz XGYPTYMEDPORCG-UHFFFAOYSA-N 1 0 271.364 2.436 10 0 CEAERO CCCn1cc(Cl)cc1C(=O)N1CC[C@H](C)[C@@H]([NH3+])C1 ZINC000070145561 521654072 /nfs/dbraw/zinc/65/40/72/521654072.db2.gz RQOJWUWIUMAJEQ-JQWIXIFHSA-N 1 0 283.803 2.361 10 0 CEAERO CCC1(C(=O)N2CCC[C@@H](C)[C@@H]2C)CC[NH2+]CC1 ZINC000062850235 521661990 /nfs/dbraw/zinc/66/19/90/521661990.db2.gz QWAYTMNXRDWATD-OLZOCXBDSA-N 1 0 252.402 2.413 10 0 CEAERO CCCn1ccnc1[C@@H]([NH3+])Cc1csc(C)n1 ZINC000069498583 521662567 /nfs/dbraw/zinc/66/25/67/521662567.db2.gz WCOXNAPUPMEHCD-NSHDSACASA-N 1 0 250.371 2.301 10 0 CEAERO CCC1(C)CCN(C(=O)[C@H]2[NH2+]CCC[C@@H]2C)CC1 ZINC000062959609 521676620 /nfs/dbraw/zinc/67/66/20/521676620.db2.gz CQBAOKZLBMUDFT-STQMWFEESA-N 1 0 252.402 2.413 10 0 CEAERO CCCN(Cc1cnn(CC)c1)[C@@](C)(CC)C[NH3+] ZINC000050539289 521691863 /nfs/dbraw/zinc/69/18/63/521691863.db2.gz NPQHINLJAHDMBR-AWEZNQCLSA-N 1 0 252.406 2.242 10 0 CEAERO CCCN1C(=O)C[C@H]([NH2+][C@@H](C)CCCC(C)C)C1=O ZINC000049128613 521700019 /nfs/dbraw/zinc/70/00/19/521700019.db2.gz CASPHEPUETZHER-STQMWFEESA-N 1 0 268.401 2.328 10 0 CEAERO CCNC(=O)CN(C)c1ccccc1C[NH2+]CC(C)C ZINC000062737479 521736286 /nfs/dbraw/zinc/73/62/86/521736286.db2.gz WIMFKTMAGCBWBR-UHFFFAOYSA-N 1 0 277.412 2.005 10 0 CEAERO COc1c(C)cnc(C[C@H]([NH3+])c2ccccn2)c1C ZINC000053817010 521814009 /nfs/dbraw/zinc/81/40/09/521814009.db2.gz WQDKSKUXWWGTDI-LBPRGKRZSA-N 1 0 257.337 2.345 10 0 CEAERO COC(=O)c1cc(C)ccc1NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000062854827 521824012 /nfs/dbraw/zinc/82/40/12/521824012.db2.gz VSEBUTIEXICKDC-INIZCTEOSA-N 1 0 290.363 2.110 10 0 CEAERO C[NH+](C)C[C@@H]1CCCN1Cc1cc2ccccc2nc1N ZINC000061653181 521841991 /nfs/dbraw/zinc/84/19/91/521841991.db2.gz FKHQGAJUQJLPSA-HNNXBMFYSA-N 1 0 284.407 2.343 10 0 CEAERO CN(C)C[C@@H]1CCC[N@@H+]1[C@@H](CC(N)=S)c1ccccc1 ZINC000061644340 521842664 /nfs/dbraw/zinc/84/26/64/521842664.db2.gz YZXBNVHLJFGPQJ-GJZGRUSLSA-N 1 0 291.464 2.430 10 0 CEAERO CN(C)C[C@@H]1CCC[N@@H+]1[C@@H]1CCCc2ccccc2[C@@H]1O ZINC000061652621 521843480 /nfs/dbraw/zinc/84/34/80/521843480.db2.gz HOFLOIMQRHDTAD-JQHSSLGASA-N 1 0 288.435 2.451 10 0 CEAERO C[NH+](C)C[C@@H]1CCCN1c1nc2c(s1)C(=O)CCC2 ZINC000061655428 521844742 /nfs/dbraw/zinc/84/47/42/521844742.db2.gz YTPNEJFCFJCKFK-JTQLQIEISA-N 1 0 279.409 2.193 10 0 CEAERO C[NH+](C)C[C@@H]1CCCN1c1ccc2scnc2c1N ZINC000061642930 521845532 /nfs/dbraw/zinc/84/55/32/521845532.db2.gz KTBSIAQRGBUYOV-JTQLQIEISA-N 1 0 276.409 2.409 10 0 CEAERO C[NH+](C)C[C@H]1CCCN1CC(=O)c1cccc(F)c1 ZINC000061645609 521865740 /nfs/dbraw/zinc/86/57/40/521865740.db2.gz MXAJTTVRWQLVPI-CQSZACIVSA-N 1 0 264.344 2.034 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000061317011 521931009 /nfs/dbraw/zinc/93/10/09/521931009.db2.gz JBULGRLOSPFKFS-JTQLQIEISA-N 1 0 252.333 2.343 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N1CCC(Oc2ccccc2)CC1 ZINC000061316578 521933465 /nfs/dbraw/zinc/93/34/65/521933465.db2.gz CVWPZYBRBMDYKO-UHFFFAOYSA-N 1 0 276.380 2.054 10 0 CEAERO C[NH2+]C(C)(C)C(=O)N1CCc2sccc2[C@H]1C ZINC000061317868 521935532 /nfs/dbraw/zinc/93/55/32/521935532.db2.gz URVZNADYOLXCIG-SECBINFHSA-N 1 0 252.383 2.192 10 0 CEAERO C[NH2+]C(C)(C)C(=O)NCc1ccc(F)c(Cl)c1 ZINC000061319324 521937088 /nfs/dbraw/zinc/93/70/88/521937088.db2.gz XNTRJFGUFWXGRS-UHFFFAOYSA-N 1 0 258.724 2.093 10 0 CEAERO COCC[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000052792459 521941978 /nfs/dbraw/zinc/94/19/78/521941978.db2.gz ANXYWQANNWJPLK-LRDDRELGSA-N 1 0 290.407 2.106 10 0 CEAERO COCC[C@H]([NH3+])C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000052790835 521946668 /nfs/dbraw/zinc/94/66/68/521946668.db2.gz ACSXTYLPHRROFJ-JTQLQIEISA-N 1 0 276.258 2.008 10 0 CEAERO C[NH2+]C1CCC(NC(=O)c2ccc3ncccc3c2)CC1 ZINC000061412355 521947494 /nfs/dbraw/zinc/94/74/94/521947494.db2.gz GJEUGRFVNBILSR-UHFFFAOYSA-N 1 0 283.375 2.495 10 0 CEAERO COCC[C@H]([NH3+])CN(Cc1cccs1)C(C)C ZINC000052810888 521950691 /nfs/dbraw/zinc/95/06/91/521950691.db2.gz OATUFJNWTLEVIF-LBPRGKRZSA-N 1 0 256.415 2.322 10 0 CEAERO CCc1ccccc1[C@H]1[C@H](C[NH2+]C)OCCN1C1CC1 ZINC000070289335 521961221 /nfs/dbraw/zinc/96/12/21/521961221.db2.gz JJIKDWKUBKFKAX-IRXDYDNUSA-N 1 0 274.408 2.373 10 0 CEAERO C[NH2+]CCN(C)CC(=O)c1ccc(Cl)cc1Cl ZINC000070303493 522004411 /nfs/dbraw/zinc/00/44/11/522004411.db2.gz SJIISHDJQLCRKZ-UHFFFAOYSA-N 1 0 275.179 2.327 10 0 CEAERO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2CCCO)cc1 ZINC000052760841 522008757 /nfs/dbraw/zinc/00/87/57/522008757.db2.gz UOUIJPMQMSAWSA-OAHLLOKOSA-N 1 0 277.364 2.210 10 0 CEAERO C[NH2+]CC[C@@H]1CCCCN1C(=O)c1ccc(F)cc1 ZINC000070191537 522015996 /nfs/dbraw/zinc/01/59/96/522015996.db2.gz GIVQQNZLQOSMSE-AWEZNQCLSA-N 1 0 264.344 2.430 10 0 CEAERO C[NH2+]CC[C@H]1CCCCN1C(=O)Cc1ccsc1 ZINC000070191563 522018528 /nfs/dbraw/zinc/01/85/28/522018528.db2.gz RPQFDRLQBYTSLQ-CYBMUJFWSA-N 1 0 266.410 2.281 10 0 CEAERO C[NH2+]C[C@@H](O[C@H](C)COC)c1ccccc1OC ZINC000070205989 522038123 /nfs/dbraw/zinc/03/81/23/522038123.db2.gz MXJVIGYMMFOOGW-BXUZGUMPSA-N 1 0 253.342 2.007 10 0 CEAERO C[NH2+]C[C@@H]1CCCN(CC(=O)c2cc(F)ccc2F)C1 ZINC000050158988 522044016 /nfs/dbraw/zinc/04/40/16/522044016.db2.gz IOSWHYZFZBIFGO-NSHDSACASA-N 1 0 282.334 2.079 10 0 CEAERO C[NH2+]C[C@@H]1CCCN(CC(=O)c2ccc(C)cc2C)C1 ZINC000050158833 522044714 /nfs/dbraw/zinc/04/47/14/522044714.db2.gz NRNPITMPJCBRQK-HNNXBMFYSA-N 1 0 274.408 2.418 10 0 CEAERO CC[C@H](C)n1ccc(Cn2nc(C)c(CC[NH2+]C)c2C)n1 ZINC000070326564 522070129 /nfs/dbraw/zinc/07/01/29/522070129.db2.gz MWYJEWDBFKQHPE-LBPRGKRZSA-N 1 0 289.427 2.478 10 0 CEAERO C[NH2+]Cc1cc(C)c(OC[C@@H](O)C(F)(F)F)c(C)c1 ZINC000068875862 522105095 /nfs/dbraw/zinc/10/50/95/522105095.db2.gz KQHDLMANVGYCBC-LLVKDONJSA-N 1 0 277.286 2.325 10 0 CEAERO CC[C@@H](C)N1C(=O)C[C@@H]([NH2+][C@@H](C)c2cccc(F)c2)C1=O ZINC000049529710 522107811 /nfs/dbraw/zinc/10/78/11/522107811.db2.gz KVKYQMQGVWFYTG-UHIISALHSA-N 1 0 292.354 2.402 10 0 CEAERO C[NH2+]Cc1cc(Cl)ccc1OC[C@H](O)C(F)(F)F ZINC000068876033 522111037 /nfs/dbraw/zinc/11/10/37/522111037.db2.gz LFPHTZADHYWERR-JTQLQIEISA-N 1 0 283.677 2.361 10 0 CEAERO C[NH2+]Cc1cc(Cl)cc(Cl)c1OC[C@H](O)COC ZINC000069053652 522111158 /nfs/dbraw/zinc/11/11/58/522111158.db2.gz HYIYHRPCMYEGNI-SNVBAGLBSA-N 1 0 294.178 2.099 10 0 CEAERO C[NH2+]Cc1ccc(-n2nnc3ccccc32)c(C)c1 ZINC000050562461 522114656 /nfs/dbraw/zinc/11/46/56/522114656.db2.gz OMTLWYGKMIIPSK-UHFFFAOYSA-N 1 0 252.321 2.448 10 0 CEAERO CC[C@@H](C)[NH+]1CCN(Cc2cccnc2NC)CC1 ZINC000055071205 522125962 /nfs/dbraw/zinc/12/59/62/522125962.db2.gz XQRRUKUGTKBNII-CYBMUJFWSA-N 1 0 262.401 2.039 10 0 CEAERO C[NH2+]Cc1cccc(Oc2ccc(C(N)=O)cc2)c1 ZINC000069330065 522133442 /nfs/dbraw/zinc/13/34/42/522133442.db2.gz IWQVJAMCVYAXID-UHFFFAOYSA-N 1 0 256.305 2.297 10 0 CEAERO C[NH2+]Cc1ccoc1CN1CCO[C@H]2CCCC[C@@H]21 ZINC000052573084 522141943 /nfs/dbraw/zinc/14/19/43/522141943.db2.gz HJDXZLCUNVHDJU-KBPBESRZSA-N 1 0 264.369 2.142 10 0 CEAERO C[NH2+]Cc1nnc(-c2cc(Br)ccc2F)o1 ZINC000050615356 522155295 /nfs/dbraw/zinc/15/52/95/522155295.db2.gz KNSCTYGATZDJNR-UHFFFAOYSA-N 1 0 286.104 2.358 10 0 CEAERO C[NH2+]Cc1sc(N(C)CC(F)(F)F)nc1C ZINC000054998060 522166445 /nfs/dbraw/zinc/16/64/45/522166445.db2.gz DHZOCABCAMIWCP-UHFFFAOYSA-N 1 0 253.293 2.169 10 0 CEAERO CC[C@H](C[NH3+])C(=O)Nc1ccc(N(CC)CC)cc1 ZINC000062995988 522170483 /nfs/dbraw/zinc/17/04/83/522170483.db2.gz SVJNUJIZZFGPGX-GFCCVEGCSA-N 1 0 263.385 2.456 10 0 CEAERO CC[C@@H](C)[NH2+]CC(=O)Nc1ccccc1[C@@H](C)O ZINC000049547467 522228779 /nfs/dbraw/zinc/22/87/79/522228779.db2.gz ISLBMGQMFUFLGA-GHMZBOCLSA-N 1 0 250.342 2.067 10 0 CEAERO CC[C@@H](C)[NH2+][C@@H](C(N)=O)c1ccc2ncccc2c1 ZINC000069503203 522233020 /nfs/dbraw/zinc/23/30/20/522233020.db2.gz KTUWABCOQNARLR-QMTHXVAHSA-N 1 0 257.337 2.149 10 0 CEAERO COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000069142118 522281933 /nfs/dbraw/zinc/28/19/33/522281933.db2.gz ZLYNLPGPYOPDQW-QWHCGFSZSA-N 1 0 297.420 2.231 10 0 CEAERO CC[C@H]([NH3+])Cc1ccnc(Cc2ccccc2F)n1 ZINC000054834584 522334707 /nfs/dbraw/zinc/33/47/07/522334707.db2.gz IZVPUZDBDWSMJJ-LBPRGKRZSA-N 1 0 259.328 2.486 10 0 CEAERO C[NH2+][C@@H](C)c1ccccc1OC[C@@H](O)C(F)(F)F ZINC000068876435 522336375 /nfs/dbraw/zinc/33/63/75/522336375.db2.gz NXBCEJVTUFTEHB-GZMMTYOYSA-N 1 0 263.259 2.269 10 0 CEAERO CC[C@H]([NH3+])[C@@H](N1CC[NH+](CC(C)C)CC1)C(C)(C)C ZINC000055077220 522337409 /nfs/dbraw/zinc/33/74/09/522337409.db2.gz LWCDITSLKIXXMO-LSDHHAIUSA-N 1 0 269.477 2.412 10 0 CEAERO C[NH2+][C@@H](CC[C@H]1CCCCO1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000069390625 522350905 /nfs/dbraw/zinc/35/09/05/522350905.db2.gz WWOBONRBNLHEFC-OLZOCXBDSA-N 1 0 289.379 2.466 10 0 CEAERO C[NH2+][C@@H](C[C@@H]1CCCO1)c1ccc2c(c1)OCCO2 ZINC000055223554 522359865 /nfs/dbraw/zinc/35/98/65/522359865.db2.gz KMDVCPZUNLURDW-STQMWFEESA-N 1 0 263.337 2.287 10 0 CEAERO C[NH2+][C@@H]1CCN(c2ccc(F)cc2OC)[C@H](C)C1 ZINC000049714391 522395171 /nfs/dbraw/zinc/39/51/71/522395171.db2.gz PSULJHRNYJWEOS-ZYHUDNBSSA-N 1 0 252.333 2.411 10 0 CEAERO C[NH2+][C@@](C)(C[C@H](C)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)[O-] ZINC000068627108 522419192 /nfs/dbraw/zinc/41/91/92/522419192.db2.gz BXOPKSCYJGEKGV-AYDFFVQHSA-N 1 0 282.428 2.340 10 0 CEAERO CN[C@@](C)(C[C@H](C)[NH+](CC1CC1)CC1CC1)C(=O)OC ZINC000068647964 522420335 /nfs/dbraw/zinc/42/03/35/522420335.db2.gz HLJNZPOARYKQAK-LRDDRELGSA-N 1 0 282.428 2.038 10 0 CEAERO COC[C@@H](O)COc1ccc(-c2ccc(C[NH3+])cc2)cc1 ZINC000069053299 522426042 /nfs/dbraw/zinc/42/60/42/522426042.db2.gz XSLDJFHUASCZJO-MRXNPFEDSA-N 1 0 287.359 2.198 10 0 CEAERO CC[C@@H](C)c1ccccc1OC[C@]([NH3+])(C(N)=O)C1CC1 ZINC000069197818 522438761 /nfs/dbraw/zinc/43/87/61/522438761.db2.gz JIMQTXIKZUGKOL-BDJLRTHQSA-N 1 0 276.380 2.172 10 0 CEAERO C[NH2+][C@H](C)c1ccccc1N(C)Cc1cnn(C)c1 ZINC000048972409 522451008 /nfs/dbraw/zinc/45/10/08/522451008.db2.gz TYHOOOJIBOUKNI-GFCCVEGCSA-N 1 0 258.369 2.337 10 0 CEAERO C[NH2+][C@H](C)c1sc(N2CCOCC2(C)C)nc1C ZINC000054909154 522455682 /nfs/dbraw/zinc/45/56/82/522455682.db2.gz UWWJHLMQEUKASA-SECBINFHSA-N 1 0 269.414 2.347 10 0 CEAERO C[NH2+][C@H](Cc1cc(C)ccc1OC)c1cnccn1 ZINC000050706845 522470365 /nfs/dbraw/zinc/47/03/65/522470365.db2.gz JQFVEJHZMKJEMX-CYBMUJFWSA-N 1 0 257.337 2.297 10 0 CEAERO C[NH2+][C@H](c1ccc2c(c1)CCCC2)[C@@H]1COCCO1 ZINC000055299248 522481935 /nfs/dbraw/zinc/48/19/35/522481935.db2.gz FNFNBYJBUZXFPI-JKSUJKDBSA-N 1 0 261.365 2.241 10 0 CEAERO C[NH2+][C@H](c1ccc2c(c1)CC(C)(C)O2)[C@@H]1COCCO1 ZINC000055301486 522482450 /nfs/dbraw/zinc/48/24/50/522482450.db2.gz UWZXVLBTMLFEAY-LSDHHAIUSA-N 1 0 277.364 2.076 10 0 CEAERO CCc1[nH+]c2cc(N)ccc2n1Cc1ccnc(C)n1 ZINC000052853811 522485997 /nfs/dbraw/zinc/48/59/97/522485997.db2.gz OYSNHJXDZINYQN-UHFFFAOYSA-N 1 0 267.336 2.328 10 0 CEAERO C[NH2+][C@H]1CCCc2nc(N3CCC(OC)CC3)sc21 ZINC000054903175 522498901 /nfs/dbraw/zinc/49/89/01/522498901.db2.gz IGXVRDLWYAYUMQ-NSHDSACASA-N 1 0 281.425 2.355 10 0 CEAERO C[NH2+][C@H]1CCN(c2cc(Br)ccc2OC)C1 ZINC000049568589 522504366 /nfs/dbraw/zinc/50/43/66/522504366.db2.gz ZEBJAMDQJFWBRV-JTQLQIEISA-N 1 0 285.185 2.256 10 0 CEAERO C[NH2+][C@H]1COc2cc(OCC3CCOCC3)ccc21 ZINC000062804032 522507470 /nfs/dbraw/zinc/50/74/70/522507470.db2.gz ADFBPFBKUDABLW-AWEZNQCLSA-N 1 0 263.337 2.145 10 0 CEAERO C[NH2+][C@](CSc1cccc(Cl)c1)(C(N)=O)C1CC1 ZINC000069189495 522531951 /nfs/dbraw/zinc/53/19/51/522531951.db2.gz CRGPXQUSEUGGTA-ZDUSSCGKSA-N 1 0 284.812 2.286 10 0 CEAERO CNc1c(F)cccc1C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC000054211817 522543841 /nfs/dbraw/zinc/54/38/41/522543841.db2.gz NIRORPFMEQRSOI-UHFFFAOYSA-N 1 0 293.386 2.424 10 0 CEAERO CC[C@@H](C[NH2+]CC(C)C)Oc1ccc(S(C)(=O)=O)cc1 ZINC000052702025 522548548 /nfs/dbraw/zinc/54/85/48/522548548.db2.gz CSAUCLIHPDGPPZ-ZDUSSCGKSA-N 1 0 299.436 2.493 10 0 CEAERO CC[C@H]([NH2+]CCN(C)CCOC)c1ccc(O)cc1 ZINC000061375111 522590532 /nfs/dbraw/zinc/59/05/32/522590532.db2.gz SMSZXNJWSDDSGO-HNNXBMFYSA-N 1 0 266.385 2.011 10 0 CEAERO COc1cc(F)ccc1NC(=O)C[NH2+]C1CCCC1 ZINC000049569955 522602854 /nfs/dbraw/zinc/60/28/54/522602854.db2.gz KZAPVLYCQHSHKO-UHFFFAOYSA-N 1 0 266.316 2.305 10 0 CEAERO COc1cc(F)ccc1NC(=O)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000049570463 522609397 /nfs/dbraw/zinc/60/93/97/522609397.db2.gz TXJDPSYPQZTPOS-NXEZZACHSA-N 1 0 266.316 2.161 10 0 CEAERO CC[C@@H]([NH3+])Cc1cnc(Cc2ccc(F)cc2)nc1 ZINC000054858237 522644792 /nfs/dbraw/zinc/64/47/92/522644792.db2.gz ROEUBCLZCKOJIW-CQSZACIVSA-N 1 0 259.328 2.486 10 0 CEAERO CC[C@@H]([NH3+])Cc1cnn(Cc2ccn([C@H](C)CC)n2)c1 ZINC000070326094 522644874 /nfs/dbraw/zinc/64/48/74/522644874.db2.gz DGRLQPTWTZDLOU-TZMCWYRMSA-N 1 0 275.400 2.379 10 0 CEAERO CC[C@@H]([NH3+])c1cnn(CCCOCC(F)(F)F)c1 ZINC000054717348 522657805 /nfs/dbraw/zinc/65/78/05/522657805.db2.gz AMLYVQRWWVFJFU-SNVBAGLBSA-N 1 0 265.279 2.262 10 0 CEAERO CC[C@@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1cccs1 ZINC000049532084 522760170 /nfs/dbraw/zinc/76/01/70/522760170.db2.gz GPAWXLJCIRJRBE-GHMZBOCLSA-N 1 0 252.383 2.315 10 0 CEAERO COc1cc(OC)c([C@@H](O)[C@@H]([NH3+])CC(C)C)c(OC)c1 ZINC000054929331 522829802 /nfs/dbraw/zinc/82/98/02/522829802.db2.gz KAYIPHOQQYLHIN-NHYWBVRUSA-N 1 0 283.368 2.119 10 0 CEAERO CN(CC[NH+]1CCCC1)c1nc2ccccc2cc1CO ZINC000063052321 522832861 /nfs/dbraw/zinc/83/28/61/522832861.db2.gz LRAHYONXBJTEFV-UHFFFAOYSA-N 1 0 285.391 2.259 10 0 CEAERO COc1cc(OC)c([C@H](O)C[NH2+]C(C)(C)C)c(OC)c1 ZINC000055029747 522833778 /nfs/dbraw/zinc/83/37/78/522833778.db2.gz GOSAIBHIKCLQOA-LLVKDONJSA-N 1 0 283.368 2.134 10 0 CEAERO COc1cc([C@@H](O)c2c[nH+]ccc2N)cc(Cl)c1OC ZINC000070320077 522912522 /nfs/dbraw/zinc/91/25/22/522912522.db2.gz RRTDSDYXFOEVLJ-CYBMUJFWSA-N 1 0 294.738 2.416 10 0 CEAERO CC[C@@H](O)COc1ccc(Cl)cc1C[NH2+]CCOC ZINC000062731041 523008841 /nfs/dbraw/zinc/00/88/41/523008841.db2.gz GEPVKHYUEXTHFE-CYBMUJFWSA-N 1 0 287.787 2.226 10 0 CEAERO CC[C@H]1CCCC[N@@H+]1CC[C@H]([NH2+]C(C)C)C(=O)[O-] ZINC000062446151 523028994 /nfs/dbraw/zinc/02/89/94/523028994.db2.gz SHFPXGYKPVHRDH-STQMWFEESA-N 1 0 256.390 2.092 10 0 CEAERO CC[C@H]1CCCCN1[C@@H](C)C[NH2+]C[C@@H]1CCCO1 ZINC000053489274 523031194 /nfs/dbraw/zinc/03/11/94/523031194.db2.gz MPYNSOCBQSVMQJ-KKUMJFAQSA-N 1 0 254.418 2.408 10 0 CEAERO CN(C[C@@](C)([NH3+])c1ccccc1)[C@@H]1CCSC1 ZINC000052883300 523087622 /nfs/dbraw/zinc/08/76/22/523087622.db2.gz FXKJPDIALDJEGH-ZIAGYGMSSA-N 1 0 250.411 2.298 10 0 CEAERO COC(=O)CCOc1ccc(C[NH2+]C(C)C)cc1 ZINC000069316878 523105358 /nfs/dbraw/zinc/10/53/58/523105358.db2.gz WUNUJEWQTJPSAJ-UHFFFAOYSA-N 1 0 251.326 2.127 10 0 CEAERO COC(=O)CC[C@@H]([NH3+])Cc1cccc2cccnc21 ZINC000069501983 523113107 /nfs/dbraw/zinc/11/31/07/523113107.db2.gz KZFLQJIVWFQADL-CYBMUJFWSA-N 1 0 258.321 2.058 10 0 CEAERO CN(C[C@H]1CCCO1)c1ccc(Cl)cc1C[NH3+] ZINC000052857105 523127345 /nfs/dbraw/zinc/12/73/45/523127345.db2.gz FDESVMNMSWADLZ-GFCCVEGCSA-N 1 0 254.761 2.414 10 0 CEAERO C[N@@H+](Cc1cc(F)ccc1C(N)=S)C[C@H]1CCCOC1 ZINC000069403308 523183254 /nfs/dbraw/zinc/18/32/54/523183254.db2.gz ZNWMXNBRZNHVIO-LLVKDONJSA-N 1 0 296.411 2.318 10 0 CEAERO CC[C@@H]1CCCC[C@H]1NS(=O)(=O)C[C@@H]1CCCC[NH2+]1 ZINC000049631388 523223572 /nfs/dbraw/zinc/22/35/72/523223572.db2.gz VKRRITNLAGWQFA-HZSPNIEDSA-N 1 0 288.457 2.017 10 0 CEAERO CC[C@H]1CN([C@@H](C[NH3+])c2cccc3cccnc32)CCO1 ZINC000069502483 523302128 /nfs/dbraw/zinc/30/21/28/523302128.db2.gz NMOOIWQMSSRDLM-HOCLYGCPSA-N 1 0 285.391 2.345 10 0 CEAERO CN(Cc1cccc(F)c1)[C@@]1(C[NH3+])CCCSC1 ZINC000061589978 523312927 /nfs/dbraw/zinc/31/29/27/523312927.db2.gz VHUDCQVKTMYVNO-CQSZACIVSA-N 1 0 268.401 2.482 10 0 CEAERO CC[C@H]1COCCN1CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052181965 523332730 /nfs/dbraw/zinc/33/27/30/523332730.db2.gz XHRXNGABIKZCSC-HNNXBMFYSA-N 1 0 298.471 2.282 10 0 CEAERO CC[C@H]1COCCN1c1ccc(F)cc1C[NH2+]CCOC ZINC000062736318 523338062 /nfs/dbraw/zinc/33/80/62/523338062.db2.gz QXRAQPDYSQQXOY-HNNXBMFYSA-N 1 0 296.386 2.177 10 0 CEAERO CC[C@H]1COCCN1c1nc(C)c(C[NH2+]C2CC2)s1 ZINC000054997913 523338724 /nfs/dbraw/zinc/33/87/24/523338724.db2.gz YJRWJFYEONNXCK-LBPRGKRZSA-N 1 0 281.425 2.319 10 0 CEAERO CC[C@H]1CO[C@H](C)CN1Cc1cc(C[NH2+]CC(C)C)no1 ZINC000052571010 523350789 /nfs/dbraw/zinc/35/07/89/523350789.db2.gz XLOYIBXKUTXWPD-HIFRSBDPSA-N 1 0 295.427 2.420 10 0 CEAERO CN(Cc1ccccc1F)[C@]1(C[NH3+])CCCSC1 ZINC000061590115 523372222 /nfs/dbraw/zinc/37/22/22/523372222.db2.gz DNGRRLMSPKXZNK-AWEZNQCLSA-N 1 0 268.401 2.482 10 0 CEAERO CCn1cc(C[C@H]([NH3+])Cc2ccc(OC)cc2)cn1 ZINC000050543029 523395731 /nfs/dbraw/zinc/39/57/31/523395731.db2.gz ROJKFBZOXDLSBO-CQSZACIVSA-N 1 0 259.353 2.024 10 0 CEAERO CC[C@](C)([NH3+])c1noc([C@@H](OC)c2ccccc2)n1 ZINC000050438361 523473670 /nfs/dbraw/zinc/47/36/70/523473670.db2.gz DAMZCSJQVRLMIY-FZMZJTMJSA-N 1 0 261.325 2.389 10 0 CEAERO CN(Cc1ccoc1)[C@@H](C[NH3+])c1ccc2c(c1)OCCO2 ZINC000048909864 523475465 /nfs/dbraw/zinc/47/54/65/523475465.db2.gz BOIQTWZMDLLWOM-AWEZNQCLSA-N 1 0 288.347 2.183 10 0 CEAERO COc1ccc(Br)cc1-c1nnc(CC[NH3+])o1 ZINC000057627736 523488831 /nfs/dbraw/zinc/48/88/31/523488831.db2.gz FVRNKSOACHABPZ-UHFFFAOYSA-N 1 0 298.140 2.009 10 0 CEAERO COCCC[C@H]([NH3+])Cc1ccc(OC)c(OC)c1 ZINC000053829337 523493047 /nfs/dbraw/zinc/49/30/47/523493047.db2.gz XUAPXXIOYXODHF-LBPRGKRZSA-N 1 0 253.342 2.000 10 0 CEAERO CC[C@@H]1COCCN1[C@@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000050596697 523502331 /nfs/dbraw/zinc/50/23/31/523502331.db2.gz IIVQKEGQUHFXTK-CABCVRRESA-N 1 0 278.396 2.114 10 0 CEAERO CC[C@@H]1CO[C@@H](C)CN1C[C@@H](C)C[NH2+]CC(C)C ZINC000052570847 523507425 /nfs/dbraw/zinc/50/74/25/523507425.db2.gz DXZCPLUTBIWSAO-SOUVJXGZSA-N 1 0 256.434 2.367 10 0 CEAERO CC[C@@H]1CO[C@@H](C)CN1Cc1cc(C)c(C[NH2+]C)o1 ZINC000052571293 523508051 /nfs/dbraw/zinc/50/80/51/523508051.db2.gz SOBJLPNAAOGTKZ-QWHCGFSZSA-N 1 0 266.385 2.307 10 0 CEAERO CCn1ccnc(Oc2ccc(C[NH3+])cc2Cl)c1=O ZINC000061770709 523509463 /nfs/dbraw/zinc/50/94/63/523509463.db2.gz ISEZRRROFKBSNL-UHFFFAOYSA-N 1 0 279.727 2.168 10 0 CEAERO CC[C@]1(C(=O)N2CCC[C@@H]2c2cc(C)no2)CCC[NH2+]C1 ZINC000062857494 523534368 /nfs/dbraw/zinc/53/43/68/523534368.db2.gz PTOPXLIXWYCSHW-CJNGLKHVSA-N 1 0 291.395 2.426 10 0 CEAERO CC[C@]1(C(=O)N[C@@H](C)c2cccnc2)CCC[NH2+]C1 ZINC000062853746 523540640 /nfs/dbraw/zinc/54/06/40/523540640.db2.gz YPLGEWZDZIEJMS-WFASDCNBSA-N 1 0 261.369 2.039 10 0 CEAERO CN(c1ccccc1F)[C@H](C[NH3+])C1CCOCC1 ZINC000052177992 523656342 /nfs/dbraw/zinc/65/63/42/523656342.db2.gz LIIUIRUPDWVTCG-CQSZACIVSA-N 1 0 252.333 2.016 10 0 CEAERO CC[C@@]1(C(=O)NCCOc2cccc(C)c2)CCC[NH2+]C1 ZINC000062860215 523694566 /nfs/dbraw/zinc/69/45/66/523694566.db2.gz YPUNRVMUBCLBEL-QGZVFWFLSA-N 1 0 290.407 2.270 10 0 CEAERO CC[C@@]1(C(=O)N[C@H]2CCCc3occc32)CC[NH2+]C1 ZINC000062900060 523696059 /nfs/dbraw/zinc/69/60/59/523696059.db2.gz AGAKBFZDWABSJF-SWLSCSKDSA-N 1 0 262.353 2.163 10 0 CEAERO CC[C@@]1(C(=O)Nc2cc3c(cc2Cl)OCO3)CC[NH2+]C1 ZINC000062892279 523697672 /nfs/dbraw/zinc/69/76/72/523697672.db2.gz UKXKYHWEYGJKGU-CQSZACIVSA-N 1 0 296.754 2.397 10 0 CEAERO COc1ccc(C(=O)N[C@@H]2CCCCC[C@H]2[NH3+])cc1OC ZINC000063210716 523724002 /nfs/dbraw/zinc/72/40/02/523724002.db2.gz VHPVQUHXQBDQIL-CHWSQXEVSA-N 1 0 292.379 2.094 10 0 CEAERO C[NH+]1CCC(Nc2ccc(Cl)cc2C(N)=S)CC1 ZINC000052858195 523779309 /nfs/dbraw/zinc/77/93/09/523779309.db2.gz XWTVXKBDQKZJCB-UHFFFAOYSA-N 1 0 283.828 2.480 10 0 CEAERO C[NH+]1CCC(O)(Cc2c(F)cccc2Cl)CC1 ZINC000049346371 523781664 /nfs/dbraw/zinc/78/16/64/523781664.db2.gz SMDYVPOVFGLBHD-UHFFFAOYSA-N 1 0 257.736 2.478 10 0 CEAERO COc1ccc(C(C)=O)cc1CN1[C@H](C)C[NH2+]C[C@@H]1C ZINC000069134364 523792184 /nfs/dbraw/zinc/79/21/84/523792184.db2.gz VICLHWODVHFOTK-TXEJJXNPSA-N 1 0 276.380 2.080 10 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CNYJCJSUDQZHJG-GXFFZTMASA-N 1 0 266.772 2.078 10 0 CEAERO C[C@@H]1CCC[C@@H](C[NH3+])N1CC(=O)Nc1cc(F)cc(F)c1 ZINC000070156391 524286128 /nfs/dbraw/zinc/28/61/28/524286128.db2.gz AAWKKRFLQIDRRR-YGRLFVJLSA-N 1 0 297.349 2.105 10 0 CEAERO Cc1ccc(CCC(=O)N[C@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000052945796 524303142 /nfs/dbraw/zinc/30/31/42/524303142.db2.gz FRHWZTJNGKUMOC-BBWFWOEESA-N 1 0 286.419 2.432 10 0 CEAERO C[C@@H](C(=O)c1ccc(F)cc1F)N(C)C1CC[NH2+]CC1 ZINC000050158735 524306042 /nfs/dbraw/zinc/30/60/42/524306042.db2.gz PXOFASAWVITIAJ-JTQLQIEISA-N 1 0 282.334 2.220 10 0 CEAERO C[C@H]1CC[C@@H](C(=O)N(CC[NH+](C)C)c2ccccc2)O1 ZINC000151081478 524328691 /nfs/dbraw/zinc/32/86/91/524328691.db2.gz HNESNWQXAYMCOI-ZFWWWQNUSA-N 1 0 276.380 2.149 10 0 CEAERO C[C@H]1CC[C@@H](C(=O)N2CCC(C)(C)CC2)C[C@@H]1[NH3+] ZINC000061824371 524330594 /nfs/dbraw/zinc/33/05/94/524330594.db2.gz TXKTYDHTQWRDMN-XQQFMLRXSA-N 1 0 252.402 2.399 10 0 CEAERO C[C@H]1CC[C@@H](C(=O)NCCC2CCCC2)C[C@@H]1[NH3+] ZINC000055130580 524333011 /nfs/dbraw/zinc/33/30/11/524333011.db2.gz GCIPFROFQXAQEL-YUTCNCBUSA-N 1 0 252.402 2.446 10 0 CEAERO C[C@@H]1CCC[C@H](CNC(=O)c2cccc(N(C)C)c2)[NH2+]1 ZINC000051573560 524382108 /nfs/dbraw/zinc/38/21/08/524382108.db2.gz CMQPOSBZDSPHRU-TZMCWYRMSA-N 1 0 275.396 2.013 10 0 CEAERO C[C@H]1CC[C@H](CNC(=O)c2cc(F)ccc2F)C[NH2+]1 ZINC000062036947 524409092 /nfs/dbraw/zinc/40/90/92/524409092.db2.gz IRFVKXYSIAVYHD-UWVGGRQHSA-N 1 0 268.307 2.083 10 0 CEAERO C[C@@H](CCCC(F)(F)F)[NH2+]CCc1nnc[nH]1 ZINC000163438697 524454318 /nfs/dbraw/zinc/45/43/18/524454318.db2.gz NOWMBYNWRRKXKI-QMMMGPOBSA-N 1 0 250.268 2.058 10 0 CEAERO Cc1cc(C)n(CC[NH2+][C@@H](C)CCC(C)C)c(=O)n1 ZINC000053500109 524529541 /nfs/dbraw/zinc/52/95/41/524529541.db2.gz UNQJOJUSSXXCFF-LBPRGKRZSA-N 1 0 265.401 2.274 10 0 CEAERO COc1ccccc1NC(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000226459803 524607605 /nfs/dbraw/zinc/60/76/05/524607605.db2.gz OQZBUEMZROWLLL-GFCCVEGCSA-N 1 0 277.368 2.301 10 0 CEAERO COc1ccccc1NC(=O)N[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000063212720 524614245 /nfs/dbraw/zinc/61/42/45/524614245.db2.gz KGWKGWCTGMVQPC-NWDGAFQWSA-N 1 0 277.368 2.477 10 0 CEAERO C[C@@H]1CC[C@H](C[NH3+])CN1C(=O)c1ccc2ncccc2c1 ZINC000070180600 524669464 /nfs/dbraw/zinc/66/94/64/524669464.db2.gz GUKTWPBXTVGLKU-CHWSQXEVSA-N 1 0 283.375 2.434 10 0 CEAERO COc1ccccc1O[C@@H](C)C[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000068656623 524690536 /nfs/dbraw/zinc/69/05/36/524690536.db2.gz ACVYOLACYONBGH-BLLLJJGKSA-N 1 0 294.395 2.095 10 0 CEAERO Cc1ccc(Cc2nc3c(c(NN)[nH+]2)CCC3)cc1C ZINC000061682095 524694695 /nfs/dbraw/zinc/69/46/95/524694695.db2.gz BDGCEJFAJQPBHD-UHFFFAOYSA-N 1 0 268.364 2.459 10 0 CEAERO C[C@@H]1CC[C@H](NC(=O)[C@@H]([NH3+])Cc2ccccc2)C[C@@H]1C ZINC000068584348 524695870 /nfs/dbraw/zinc/69/58/70/524695870.db2.gz HJGKAPSRVGIPBJ-VRKREXBASA-N 1 0 274.408 2.497 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C)N1C(=O)c1nccc2ccccc21 ZINC000069132927 524699129 /nfs/dbraw/zinc/69/91/29/524699129.db2.gz DJSFWFBKRGQVSA-RYUDHWBXSA-N 1 0 269.348 2.057 10 0 CEAERO C[C@H]1C[NH2+]C[C@H](C)N1C(=O)c1ccc(F)cc1Cl ZINC000069133202 524699356 /nfs/dbraw/zinc/69/93/56/524699356.db2.gz MTOVZFXVTKQKJL-IUCAKERBSA-N 1 0 270.735 2.302 10 0 CEAERO C[C@@H](C[NH2+]C1CCCCC1)N1CCOC(C)(C)C1 ZINC000053492070 524735853 /nfs/dbraw/zinc/73/58/53/524735853.db2.gz CRGQKBDSMDDTNY-ZDUSSCGKSA-N 1 0 254.418 2.408 10 0 CEAERO C[C@@H](CNc1ccc(Cl)cc1C(N)=S)[NH+](C)C ZINC000052859056 524754878 /nfs/dbraw/zinc/75/48/78/524754878.db2.gz HVKILESSGXJXJE-QMMMGPOBSA-N 1 0 271.817 2.336 10 0 CEAERO Cc1cc(C[NH2+]CCCCn2ccnc2)c(C)n1C ZINC000052790533 524756756 /nfs/dbraw/zinc/75/67/56/524756756.db2.gz IZYSNVSKKJVQGQ-UHFFFAOYSA-N 1 0 260.385 2.408 10 0 CEAERO Cc1cccc(OC[C@@]([NH2+]C2CC2)(C(N)=O)C2CC2)c1C ZINC000069197079 524758238 /nfs/dbraw/zinc/75/82/38/524758238.db2.gz HBYGESDCUHXKGE-KRWDZBQOSA-N 1 0 288.391 2.068 10 0 CEAERO C[C@H]([NH3+])Cc1cnc(C2(c3ccccc3)CC2)nc1 ZINC000062782337 524835054 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C[C@@H]1CN(CCn2cccn2)[C@@](C)(c2ccccc2)C[NH2+]1 ZINC000068699135 524963868 /nfs/dbraw/zinc/96/38/68/524963868.db2.gz IHJKCFFUPIYNAX-NVXWUHKLSA-N 1 0 284.407 2.092 10 0 CEAERO C[C@@H]1CN(Cc2cc(C[NH2+]C(C)(C)C)co2)CCO1 ZINC000052382593 524984774 /nfs/dbraw/zinc/98/47/74/524984774.db2.gz ONHIKQSARUFERI-GFCCVEGCSA-N 1 0 266.385 2.388 10 0 CEAERO C[C@@H]([NH3+])Cc1noc([C@H]2CCCc3ccccc32)n1 ZINC000054669707 525002119 /nfs/dbraw/zinc/00/21/19/525002119.db2.gz STAFWZALSPDVKX-MFKMUULPSA-N 1 0 257.337 2.428 10 0 CEAERO Cc1cc(F)ccc1[C@@H]1[C@H]([NH3+])CCCC(=O)N1C ZINC000070292245 525005249 /nfs/dbraw/zinc/00/52/49/525005249.db2.gz XXXBCXRWWMVYQZ-TZMCWYRMSA-N 1 0 250.317 2.145 10 0 CEAERO Cc1cc(F)ccc1[C@H](C[NH3+])N(C)C[C@@H]1CCCO1 ZINC000050578889 525007344 /nfs/dbraw/zinc/00/73/44/525007344.db2.gz RNAIXDFIIXBJOK-ZFWWWQNUSA-N 1 0 266.360 2.245 10 0 CEAERO C[C@@H]([NH3+])[C@@](O)(c1cccc2cnccc21)C(F)(F)F ZINC000062784596 525013796 /nfs/dbraw/zinc/01/37/96/525013796.db2.gz 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C[C@H](c1ccncc1)N(C)C(=O)[C@H](C[NH3+])c1ccccc1 ZINC000061612218 526159286 /nfs/dbraw/zinc/15/92/86/526159286.db2.gz YBHYOIOHQMTMTD-CZUORRHYSA-N 1 0 283.375 2.344 10 0 CEAERO Cc1ccc2cccc(NC(=O)[C@@H]3CC[NH2+]C3)c2n1 ZINC000062117002 526238722 /nfs/dbraw/zinc/23/87/22/526238722.db2.gz UANKGTIQUONOOU-GFCCVEGCSA-N 1 0 255.321 2.091 10 0 CEAERO Cc1ccc2cccc(OC[C@H]3CC[C@H](C[NH3+])O3)c2n1 ZINC000052698009 526238874 /nfs/dbraw/zinc/23/88/74/526238874.db2.gz OUUOKWHYDDGBTC-ZIAGYGMSSA-N 1 0 272.348 2.428 10 0 CEAERO COc1cccc(SCC[C@@](C)([NH2+]C(C)C)C(N)=O)c1 ZINC000045558205 526246287 /nfs/dbraw/zinc/24/62/87/526246287.db2.gz JUONJMDIEHLJQN-OAHLLOKOSA-N 1 0 296.436 2.419 10 0 CEAERO Cc1cc(C(=O)N2CC[C@H](C)C[C@H]2C[NH3+])nn1C(C)(C)C ZINC000261930603 526259647 /nfs/dbraw/zinc/25/96/47/526259647.db2.gz ZYNVNJMNTLZYPJ-AAEUAGOBSA-N 1 0 292.427 2.146 10 0 CEAERO Cc1nn(CCCOCC(F)(F)F)c(C)c1C[C@@H](C)[NH3+] ZINC000054741139 526280400 /nfs/dbraw/zinc/28/04/00/526280400.db2.gz IRKQSKLGIJPKDW-SECBINFHSA-N 1 0 293.333 2.359 10 0 CEAERO Cc1nn([C@@H](c2cccnc2)[C@@H](C)[NH3+])c(C)c1Cl ZINC000050586383 526302747 /nfs/dbraw/zinc/30/27/47/526302747.db2.gz IOJNAQBFXZYXRK-AMIZOPFISA-N 1 0 264.760 2.485 10 0 CEAERO O=C(NCC[NH+]1CCCCC1)[C@@H]1CCc2ccccc2N1 ZINC000049575582 526308509 /nfs/dbraw/zinc/30/85/09/526308509.db2.gz ZVQLERAQRHKYTJ-INIZCTEOSA-N 1 0 287.407 2.015 10 0 CEAERO Fc1cc(F)cc(OCC[NH2+]C[C@@H]2CCCO2)c1 ZINC000054935090 526308866 /nfs/dbraw/zinc/30/88/66/526308866.db2.gz LLSSWPPJSPIHLM-LBPRGKRZSA-N 1 0 257.280 2.112 10 0 CEAERO Fc1cccc(CN[C@H]2CC[N@@H+]3CCC[C@H]23)c1F ZINC000049567800 526388252 /nfs/dbraw/zinc/38/82/52/526388252.db2.gz SRJSZINBVFHTDE-QWHCGFSZSA-N 1 0 252.308 2.291 10 0 CEAERO Cc1nnc(Sc2nc3c(cc2C(N)=[NH2+])CCCC3)o1 ZINC000051038182 526391968 /nfs/dbraw/zinc/39/19/68/526391968.db2.gz YWAZYGMQDICYAS-UHFFFAOYSA-N 1 0 289.364 2.087 10 0 CEAERO c1ccc(C2(c3noc([C@H]4CC[NH2+]C4)n3)CC2)cc1 ZINC000062780251 526462177 /nfs/dbraw/zinc/46/21/77/526462177.db2.gz LZMFAUMSQGNGKE-NSHDSACASA-N 1 0 255.321 2.226 10 0 CEAERO c1ccc(OCc2ncc(C[NH2+]C3CC3)cn2)cc1 ZINC000054856304 526486630 /nfs/dbraw/zinc/48/66/30/526486630.db2.gz NSDQBMLQLXZTOK-UHFFFAOYSA-N 1 0 255.321 2.308 10 0 CEAERO O=C(CC[N@H+]1CC[C@H](O)C1)c1cccc(Br)c1 ZINC000061711717 526493673 /nfs/dbraw/zinc/49/36/73/526493673.db2.gz MYMSGKMVJDKNLU-LBPRGKRZSA-N 1 0 298.180 2.089 10 0 CEAERO O=C(CC[NH2+][C@@H](CO)c1ccccc1)OCc1ccccc1 ZINC000183646206 526513832 /nfs/dbraw/zinc/51/38/32/526513832.db2.gz HJGCAYJCQXFLFM-KRWDZBQOSA-N 1 0 299.370 2.443 10 0 CEAERO Cc1noc(C)c1COc1ccc2c(c1)OC[C@@H]2[NH3+] ZINC000062803529 526521236 /nfs/dbraw/zinc/52/12/36/526521236.db2.gz YYUULOYKUGJNCC-ZDUSSCGKSA-N 1 0 260.293 2.263 10 0 CEAERO Cc1noc(C)c1Cn1ccnc1C[NH2+]C(C)(C)C ZINC000051015362 526538961 /nfs/dbraw/zinc/53/89/61/526538961.db2.gz VMMSRLATLRRMNS-UHFFFAOYSA-N 1 0 262.357 2.424 10 0 CEAERO O=C(CC[C@@H]1CCCC[NH2+]1)Nc1ccc2n[nH]cc2c1 ZINC000050944143 526548223 /nfs/dbraw/zinc/54/82/23/526548223.db2.gz NLYNALGWDYZXHK-LBPRGKRZSA-N 1 0 272.352 2.424 10 0 CEAERO c1coc(-c2nnc(CN3CCC[C@@H]3[C@@H]3CCC[NH2+]3)o2)c1 ZINC000051359570 526562610 /nfs/dbraw/zinc/56/26/10/526562610.db2.gz GPTMXFBGPCMTRM-NWDGAFQWSA-N 1 0 288.351 2.046 10 0 CEAERO O=C(CC[C@H]1CCC[NH2+]C1)Nc1cccnc1Cl ZINC000049842588 526570158 /nfs/dbraw/zinc/57/01/58/526570158.db2.gz PCMJVYJEKSUTHN-SNVBAGLBSA-N 1 0 267.760 2.453 10 0 CEAERO O=C(NCc1ccc2ccccc2c1)[C@H]1CCC[NH2+]C1 ZINC000153464193 526703126 /nfs/dbraw/zinc/70/31/26/526703126.db2.gz VXJVXWCSACSGBF-INIZCTEOSA-N 1 0 268.360 2.456 10 0 CEAERO O=C(c1ccc2ncsc2c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000049515910 526739929 /nfs/dbraw/zinc/73/99/29/526739929.db2.gz TYCXBUZNEIBIPA-LBPRGKRZSA-N 1 0 287.388 2.217 10 0 CEAERO Cc1nc(C)c([C@H](C)[NH2+]CC(=O)N(C)C2CC2)s1 ZINC000049305212 526752055 /nfs/dbraw/zinc/75/20/55/526752055.db2.gz PVNFIZXCKZTCKS-QMMMGPOBSA-N 1 0 267.398 2.031 10 0 CEAERO Cc1oc(C[NH3+])cc1CN1CCN(c2ccccc2)CC1 ZINC000052417317 526768493 /nfs/dbraw/zinc/76/84/93/526768493.db2.gz GWMRTRJFKHETQG-UHFFFAOYSA-N 1 0 285.391 2.369 10 0 CEAERO NC(=[NH2+])c1ccc(Cl)cc1OC[C@@H]1CCCO1 ZINC000062789087 526823370 /nfs/dbraw/zinc/82/33/70/526823370.db2.gz HVVIRCUADOMPBY-VIFPVBQESA-N 1 0 254.717 2.182 10 0 CEAERO NC(=[NH2+])c1ncccc1Cn1ccnc1-c1ccccc1 ZINC000061658460 526825029 /nfs/dbraw/zinc/82/50/29/526825029.db2.gz BVCGQVVHFDOXLF-UHFFFAOYSA-N 1 0 277.331 2.277 10 0 CEAERO Cc1nc(Cc2nc(C)cc(C[C@H](C)[NH3+])n2)cs1 ZINC000055296916 526929220 /nfs/dbraw/zinc/92/92/20/526929220.db2.gz LUNSXHHDCQGLPA-QMMMGPOBSA-N 1 0 262.382 2.030 10 0 CEAERO Cc1nc(N(CC[NH+](C)C)CC(C)C)sc1C=O ZINC000054966861 526952635 /nfs/dbraw/zinc/95/26/35/526952635.db2.gz FPDRAFXVFDUDCK-UHFFFAOYSA-N 1 0 269.414 2.288 10 0 CEAERO O=C(N[C@H]1CCCC[NH2+]C1)c1cc(Cl)cn1C1CC1 ZINC000070120060 527021143 /nfs/dbraw/zinc/02/11/43/527021143.db2.gz DNMQOAMWSOELOR-NSHDSACASA-N 1 0 281.787 2.348 10 0 CEAERO NC(=O)c1ccc(Cl)cc1N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000062785778 527053420 /nfs/dbraw/zinc/05/34/20/527053420.db2.gz ABJUVXRYQNNRSV-WDEREUQCSA-N 1 0 267.760 2.121 10 0 CEAERO Cn1c(Cl)cnc1COc1ccc2c(c1)OC[C@@H]2[NH3+] ZINC000062803579 527070385 /nfs/dbraw/zinc/07/03/85/527070385.db2.gz VOUXAUOUTALXQM-JTQLQIEISA-N 1 0 279.727 2.045 10 0 CEAERO NC(=O)c1ccc(OCC[C@@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000062791662 527072339 /nfs/dbraw/zinc/07/23/39/527072339.db2.gz YOUAHCPRCFKUEG-NSHDSACASA-N 1 0 282.771 2.350 10 0 CEAERO Cn1c2ccc([C@H]([NH3+])C3CCCC3)cc2n(C)c1=O ZINC000051392383 527106453 /nfs/dbraw/zinc/10/64/53/527106453.db2.gz JZKOYUPLLXLVNJ-CQSZACIVSA-N 1 0 259.353 2.067 10 0 CEAERO O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc2c(c1)C[NH2+]CC2 ZINC000069052879 527109525 /nfs/dbraw/zinc/10/95/25/527109525.db2.gz VPSVRRHUPAMHQS-HUUCEWRRSA-N 1 0 284.359 2.012 10 0 CEAERO NC(=S)c1ccc(C[N@@H+]2CCC[C@H]2CCCO)cc1 ZINC000052759768 527118026 /nfs/dbraw/zinc/11/80/26/527118026.db2.gz FJDLZUMJZUGDJZ-AWEZNQCLSA-N 1 0 278.421 2.058 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)COc1cccc(Cl)c1 ZINC000051018597 527146888 /nfs/dbraw/zinc/14/68/88/527146888.db2.gz JOLKDUMFVBCDJX-YHWZYXNKSA-N 1 0 294.782 2.200 10 0 CEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccc(Cl)c1 ZINC000052945311 527147089 /nfs/dbraw/zinc/14/70/89/527147089.db2.gz VKBNHPGOQTYZCL-AGUYFDCRSA-N 1 0 278.783 2.363 10 0 CEAERO [NH3+]CCCc1noc([C@@H]2CCCc3ccccc32)n1 ZINC000054669693 527184644 /nfs/dbraw/zinc/18/46/44/527184644.db2.gz PUZKMIHOMVOPFW-CYBMUJFWSA-N 1 0 257.337 2.429 10 0 CEAERO O=S(=O)(C[C@H]1CCCC[NH2+]1)Nc1ccc2c(c1)CCC2 ZINC000049630725 527184744 /nfs/dbraw/zinc/18/47/44/527184744.db2.gz ZKACFCHEUQETCE-OAHLLOKOSA-N 1 0 294.420 2.059 10 0 CEAERO [NH3+]CCN(C(=O)CC[C@@H]1CCCCO1)C1CCCCC1 ZINC000069405550 527185095 /nfs/dbraw/zinc/18/50/95/527185095.db2.gz IOENLJJOBZPXNS-HNNXBMFYSA-N 1 0 282.428 2.456 10 0 CEAERO [NH3+]CCc1cccc(C(=O)NCc2ccc(F)c(F)c2)c1 ZINC000053662645 527197473 /nfs/dbraw/zinc/19/74/73/527197473.db2.gz UPHMSGUFNZZDLT-UHFFFAOYSA-N 1 0 290.313 2.396 10 0 CEAERO Cc1nc2sccn2c1C[NH2+][C@H](CN(C)C)C(C)C ZINC000049198230 527211867 /nfs/dbraw/zinc/21/18/67/527211867.db2.gz RSRKNGHPXDKOJJ-GFCCVEGCSA-N 1 0 280.441 2.380 10 0 CEAERO Cn1cc(C[C@@H]([NH3+])Cc2ccc(F)cc2Cl)cn1 ZINC000062607668 527229425 /nfs/dbraw/zinc/22/94/25/527229425.db2.gz HVZQMRLRJVDIBN-GFCCVEGCSA-N 1 0 267.735 2.325 10 0 CEAERO [NH3+]Cc1ccc2cc(I)ccc2n1 ZINC000062672380 527259510 /nfs/dbraw/zinc/25/95/10/527259510.db2.gz HDSMWKQDUAAURJ-UHFFFAOYSA-N 1 0 284.100 2.298 10 0 CEAERO [NH3+]Cc1cn(Cc2coc(-c3ccc(Cl)cc3)n2)nn1 ZINC000050224359 527262281 /nfs/dbraw/zinc/26/22/81/527262281.db2.gz NYGVCXAVBWSOGE-UHFFFAOYSA-N 1 0 289.726 2.094 10 0 CEAERO [NH3+]Cc1nccnc1Oc1ccc(Br)cc1 ZINC000054378664 527267339 /nfs/dbraw/zinc/26/73/39/527267339.db2.gz HKPKYGYMKZVXEV-UHFFFAOYSA-N 1 0 280.125 2.490 10 0 CEAERO [NH3+]Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000054995207 527269098 /nfs/dbraw/zinc/26/90/98/527269098.db2.gz URFORPHCCMAXKE-UHFFFAOYSA-N 1 0 275.377 2.105 10 0 CEAERO NNc1cc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)cc[nH+]1 ZINC000051090904 527271862 /nfs/dbraw/zinc/27/18/62/527271862.db2.gz HLMQGXOTZJWSMF-YPMHNXCESA-N 1 0 274.368 2.162 10 0 CEAERO NNc1ccc(Cl)c(COc2ccc3c(c2)OCO3)[nH+]1 ZINC000061639766 527279731 /nfs/dbraw/zinc/27/97/31/527279731.db2.gz WHNUIJBUUPCKMR-UHFFFAOYSA-N 1 0 293.710 2.328 10 0 CEAERO Cn1cc([C@@H](C[NH3+])N2CCC3(CCCCC3)CC2)cn1 ZINC000061818016 527292696 /nfs/dbraw/zinc/29/26/96/527292696.db2.gz MWGHQWQDQKWKTC-OAHLLOKOSA-N 1 0 276.428 2.466 10 0 CEAERO [NH3+][C@@H](Cc1cccc(Br)c1)c1cncnc1 ZINC000052887039 527336208 /nfs/dbraw/zinc/33/62/08/527336208.db2.gz BNUNIUQAJAESTP-LBPRGKRZSA-N 1 0 278.153 2.482 10 0 CEAERO [NH3+][C@@H](c1ccccc1)[C@@H](O)c1ccc2c(c1)OCO2 ZINC000054681924 527338500 /nfs/dbraw/zinc/33/85/00/527338500.db2.gz BWRHOZKZKTVQEU-GJZGRUSLSA-N 1 0 257.289 2.149 10 0 CEAERO [NH3+][C@@H](c1nc2cc(Br)cnc2[nH]1)C1CC1 ZINC000054502153 527340438 /nfs/dbraw/zinc/34/04/38/527340438.db2.gz MYVMASZGADDXCI-MRVPVSSYSA-N 1 0 267.130 2.130 10 0 CEAERO [NH3+][C@@H]1c2ccccc2OC[C@H]1N1Cc2ccccc2C1 ZINC000050910911 527379221 /nfs/dbraw/zinc/37/92/21/527379221.db2.gz KOCPMKMAGYMXMF-NVXWUHKLSA-N 1 0 266.344 2.463 10 0 CEAERO [NH3+][C@H](c1ccccc1)[C@H](O)c1ccc2c(c1)OCCO2 ZINC000054681934 527391947 /nfs/dbraw/zinc/39/19/47/527391947.db2.gz QNPDAQVEUMGMTF-HZPDHXFCSA-N 1 0 271.316 2.191 10 0 CEAERO [NH3+][C@H](c1nc2c(s1)CCCC2)C1CCOCC1 ZINC000052179411 527392713 /nfs/dbraw/zinc/39/27/13/527392713.db2.gz FXXDNNHAKAABRA-LBPRGKRZSA-N 1 0 252.383 2.448 10 0 CEAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)COc1cccc(Cl)c1 ZINC000051018585 527396514 /nfs/dbraw/zinc/39/65/14/527396514.db2.gz LGVFLSUADLEFGY-STQMWFEESA-N 1 0 282.771 2.105 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)c1ccc2ncccc2c1 ZINC000061416139 527397389 /nfs/dbraw/zinc/39/73/89/527397389.db2.gz CWIHTDBDJGEAPA-DZGCQCFKSA-N 1 0 269.348 2.235 10 0 CEAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)COc1cccc(Cl)c1 ZINC000051018584 527397779 /nfs/dbraw/zinc/39/77/79/527397779.db2.gz LGVFLSUADLEFGY-QWHCGFSZSA-N 1 0 282.771 2.105 10 0 CEAERO O=C(N1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C1(c2ccccc2)CC1 ZINC000061618375 527440434 /nfs/dbraw/zinc/44/04/34/527440434.db2.gz VZRQEEIVZAJCIV-JKSUJKDBSA-N 1 0 284.403 2.461 10 0 CEAERO Nc1cc(F)ccc1C[N@H+](CCO)Cc1ccccc1 ZINC000069399738 527454539 /nfs/dbraw/zinc/45/45/39/527454539.db2.gz FNBUWZLBDBTYHE-UHFFFAOYSA-N 1 0 274.339 2.402 10 0 CEAERO Nc1cc(F)ccc1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000069399818 527454610 /nfs/dbraw/zinc/45/46/10/527454610.db2.gz WUKSEWUQNHBFQL-OAHLLOKOSA-N 1 0 277.387 2.468 10 0 CEAERO Nc1ccc(Cl)c(CN2CC[NH+](C3CCCC3)CC2)n1 ZINC000061639115 527486150 /nfs/dbraw/zinc/48/61/50/527486150.db2.gz KYQLUGGXBZFRKS-UHFFFAOYSA-N 1 0 294.830 2.377 10 0 CEAERO Cc1ncsc1CCOC[C@@H]1CC[C@@H](C[NH2+]C2CC2)O1 ZINC000052623642 527490012 /nfs/dbraw/zinc/49/00/12/527490012.db2.gz VPGANCASRFBFGB-KBPBESRZSA-N 1 0 296.436 2.310 10 0 CEAERO OCC1([NH2+]C[C@@H](O)c2ccccc2Cl)CCCC1 ZINC000053069410 527526208 /nfs/dbraw/zinc/52/62/08/527526208.db2.gz XRNDRFYEAVJTSO-CYBMUJFWSA-N 1 0 269.772 2.268 10 0 CEAERO OCCC[C@@H]1CCC[N@@H+]1Cc1ccnc(Cl)c1 ZINC000052759552 527545071 /nfs/dbraw/zinc/54/50/71/527545071.db2.gz PYOBPBRJWAUACJ-LBPRGKRZSA-N 1 0 254.761 2.472 10 0 CEAERO Nc1ncccc1[C@H]([NH3+])c1ccc2ncccc2c1 ZINC000070321435 527571167 /nfs/dbraw/zinc/57/11/67/527571167.db2.gz JAGXSZAWTQUXLL-CQSZACIVSA-N 1 0 250.305 2.260 10 0 CEAERO Cn1nccc1[C@@H]([NH3+])Cc1cccc(Br)c1 ZINC000069020631 527623443 /nfs/dbraw/zinc/62/34/43/527623443.db2.gz BNBVXWYEMAUQFH-NSHDSACASA-N 1 0 280.169 2.425 10 0 CEAERO Cc1nn(C)c(N2CCC[C@@H]2C)c1C[NH2+]CC(C)C ZINC000062736470 527676043 /nfs/dbraw/zinc/67/60/43/527676043.db2.gz OXBSUYGKRNCVLG-LBPRGKRZSA-N 1 0 264.417 2.463 10 0 CEAERO CCC(O)(CC)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000165199160 528966384 /nfs/dbraw/zinc/96/63/84/528966384.db2.gz INGZMAPDGSGVJI-UHFFFAOYSA-N 1 0 280.387 2.499 10 0 CEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1nc(C(C)C)no1 ZINC000175359963 529069899 /nfs/dbraw/zinc/06/98/99/529069899.db2.gz BIQMUGVHYSVKPV-GFCCVEGCSA-N 1 0 266.389 2.109 10 0 CEAERO CC[C@H]1CN(Cc2nc(C)c(C)s2)CC[N@@H+]1CCOC ZINC000176359355 529298254 /nfs/dbraw/zinc/29/82/54/529298254.db2.gz LIGIMPOCRCNFHY-AWEZNQCLSA-N 1 0 297.468 2.303 10 0 CEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCCSC ZINC000175079924 529304355 /nfs/dbraw/zinc/30/43/55/529304355.db2.gz YDNSLMFXDISYBW-UONOGXRCSA-N 1 0 299.484 2.398 10 0 CEAERO CC1(C)CN(c2nc3ccccc3cc2CC[NH3+])CCO1 ZINC000111480258 535359915 /nfs/dbraw/zinc/35/99/15/535359915.db2.gz SRTNXUBDMSWWNS-UHFFFAOYSA-N 1 0 285.391 2.351 10 0 CEAERO CC[NH2+]C1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000081585688 535453145 /nfs/dbraw/zinc/45/31/45/535453145.db2.gz MMGMJBXGMDPODR-UHFFFAOYSA-N 1 0 274.290 2.074 10 0 CEAERO CCOc1cccc(N2CCC([C@H](C)[NH2+]C)CC2)n1 ZINC000111717055 535467668 /nfs/dbraw/zinc/46/76/68/535467668.db2.gz QPKQWHVSRYBWIW-LBPRGKRZSA-N 1 0 263.385 2.305 10 0 CEAERO CC[NH2+]Cc1ccc(N2CCC[C@H]3CCC[C@@H]32)nn1 ZINC000087783478 535478696 /nfs/dbraw/zinc/47/86/96/535478696.db2.gz LQMLFDQSKYSZKK-OCCSQVGLSA-N 1 0 260.385 2.355 10 0 CEAERO CCOCCCOc1cccc(N2CCC[C@H]([NH3+])C2)c1 ZINC000087326261 535553308 /nfs/dbraw/zinc/55/33/08/535553308.db2.gz OJDBOFVCSCTHTR-AWEZNQCLSA-N 1 0 278.396 2.420 10 0 CEAERO CCn1cccc1C[NH2+]C1CCN(c2ncccn2)CC1 ZINC000091023544 536102604 /nfs/dbraw/zinc/10/26/04/536102604.db2.gz GSSZJKKPFFXETG-UHFFFAOYSA-N 1 0 285.395 2.057 10 0 CEAERO C[NH2+][C@H](C)C1CCN(c2cnc3ccccc3n2)CC1 ZINC000111717092 536389314 /nfs/dbraw/zinc/38/93/14/536389314.db2.gz FSMXYBXSQJKZNA-GFCCVEGCSA-N 1 0 270.380 2.454 10 0 CEAERO COc1ccc(C[C@H](C)[NH2+]CCc2cn(C)cn2)cc1 ZINC000313288559 536526143 /nfs/dbraw/zinc/52/61/43/536526143.db2.gz YZTPWHDCENKINH-ZDUSSCGKSA-N 1 0 273.380 2.192 10 0 CEAERO COc1cccc2c1N(C(=O)CC(C)(C)[NH3+])CCC2 ZINC000084182795 536957637 /nfs/dbraw/zinc/95/76/37/536957637.db2.gz BMERMEPKTZSCMH-UHFFFAOYSA-N 1 0 262.353 2.102 10 0 CEAERO COc1ccc2c(c1)CCCN2C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085371396 536969251 /nfs/dbraw/zinc/96/92/51/536969251.db2.gz PWNYMWIWGRIOSJ-KBPBESRZSA-N 1 0 274.364 2.102 10 0 CEAERO COc1ccc2c(c1)CCCN2C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091542455 536969741 /nfs/dbraw/zinc/96/97/41/536969741.db2.gz VZHRFRCODDRULA-QWHCGFSZSA-N 1 0 274.364 2.102 10 0 CEAERO C[C@H]1CC(=O)[C@]23CCC[N@@H+]4CCC[C@]2(C4)C(=O)C[C@@H]3C1 ZINC000004098393 560122846 /nfs/dbraw/zinc/12/28/46/560122846.db2.gz SJIMDGIDDDGXLI-OSRSDYAFSA-N 1 0 275.392 2.437 10 0 biogenic,in-vitro CEAERO CCc1noc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)n1 ZINC000253086270 574504496 /nfs/dbraw/zinc/50/44/96/574504496.db2.gz AZFAUWMYTSWSJU-UPJWGTAASA-N 1 0 279.384 2.148 10 0 CEAERO CC1(C)CC2(CC(C)(C)[NH2+]1)NC[C@H](C1CC1)CO2 ZINC000757147312 574510495 /nfs/dbraw/zinc/51/04/95/574510495.db2.gz LLXVRVAQJYSCRC-LBPRGKRZSA-N 1 0 252.402 2.269 10 0 CEAERO c1ncc(C2CC2)cc1SC[C@@H]1C[NH2+]CCO1 ZINC000757215642 574513136 /nfs/dbraw/zinc/51/31/36/574513136.db2.gz WNJAIKVSPLHTER-LBPRGKRZSA-N 1 0 250.367 2.040 10 0 CEAERO COC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(Br)cc1C ZINC000757183518 574511620 /nfs/dbraw/zinc/51/16/20/574511620.db2.gz FELCAFBGMSIMGQ-RYUDHWBXSA-N 1 0 298.180 2.234 10 0 CEAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccccc1O ZINC000757184604 574511625 /nfs/dbraw/zinc/51/16/25/574511625.db2.gz LSKSAVZFFCVDLN-VXGBXAGGSA-N 1 0 263.337 2.037 10 0 CEAERO COc1ccc(C2(NC(=O)[C@@H]3CCC[C@@H]3C[NH3+])CC2)cc1 ZINC000261775353 574517051 /nfs/dbraw/zinc/51/70/51/574517051.db2.gz OUIIAGHDZNQEFG-IUODEOHRSA-N 1 0 288.391 2.176 10 0 CEAERO CCCC(=O)Nc1ncc(CN2CC[C@H]([NH3+])[C@H](C)C2)s1 ZINC000725272424 567925140 /nfs/dbraw/zinc/92/51/40/567925140.db2.gz QAVQCCDLVNFZQS-PWSUYJOCSA-N 1 0 296.440 2.051 10 0 CEAERO C[C@H](Nc1nnc(C(F)F)s1)[C@@H]1CCC[NH2+]C1 ZINC000261546584 628937328 /nfs/dbraw/zinc/93/73/28/628937328.db2.gz HBUCWKXLKKOHEP-NKWVEPMBSA-N 1 0 262.329 2.276 10 0 CEAERO C[C@@H]1CN(C(=O)c2cccc(C(F)(F)F)c2F)C[C@H]1[NH3+] ZINC000235362631 625342731 /nfs/dbraw/zinc/34/27/31/625342731.db2.gz NZPYMGDQRFXKAP-GMSGAONNSA-N 1 0 290.260 2.264 10 0 CEAERO C[C@@H]1CN(C(=O)c2cc(F)c(Cl)cc2F)C[C@@H]1[NH3+] ZINC000235363569 625343020 /nfs/dbraw/zinc/34/30/20/625343020.db2.gz FKOPYDWLRHNMIJ-KBUNVGBDSA-N 1 0 274.698 2.037 10 0 CEAERO Cc1cnn(CC[NH2+][C@@H]2CCOC3(CCCC3)C2)c1 ZINC000236010072 623276024 /nfs/dbraw/zinc/27/60/24/623276024.db2.gz IBNYLUZJKDSNPN-CQSZACIVSA-N 1 0 263.385 2.273 10 0 CEAERO CCN(Cc1cc(C(F)(F)F)n[nH]1)[C@@H]1CCC[NH2+]CC1 ZINC000261745788 623443388 /nfs/dbraw/zinc/44/33/88/623443388.db2.gz BTPAAVZXWYOHKT-LLVKDONJSA-N 1 0 290.333 2.393 10 0 CEAERO C[C@H]1CN(C(=O)c2cccc(Cl)c2Cl)C[C@@H]1[NH3+] ZINC000235660004 625697050 /nfs/dbraw/zinc/69/70/50/625697050.db2.gz QSJVDPALZFJDPQ-XVKPBYJWSA-N 1 0 273.163 2.413 10 0 CEAERO CC[C@@H](NS(=O)(=O)CC1CC[NH2+]CC1)c1ccccc1 ZINC000051629351 624473159 /nfs/dbraw/zinc/47/31/59/624473159.db2.gz DICFLZINVBSROE-OAHLLOKOSA-N 1 0 296.436 2.057 10 0 CEAERO C[C@@H](CC[NH2+]C[C@@H]1CC(=O)N(C)C1)c1ccccc1 ZINC000668616262 624519101 /nfs/dbraw/zinc/51/91/01/624519101.db2.gz LDDJUMBHOCJBPB-KBPBESRZSA-N 1 0 260.381 2.248 10 0 CEAERO C[C@@H](Nc1cnc2ccccc2n1)[C@@H]1CCC[NH2+]C1 ZINC000052017887 624731619 /nfs/dbraw/zinc/73/16/19/624731619.db2.gz VUOHYIFHGUMNIL-VXGBXAGGSA-N 1 0 256.353 2.430 10 0 CEAERO C[C@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2F)C[C@@H]1[NH3+] ZINC000235650126 624757373 /nfs/dbraw/zinc/75/73/73/624757373.db2.gz UIIKTFHSPMRMOV-CPCISQLKSA-N 1 0 290.260 2.264 10 0 CEAERO Cc1cccc(F)c1NC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000225044280 624868723 /nfs/dbraw/zinc/86/87/23/624868723.db2.gz HJRZPBRZWUMCQI-MNOVXSKESA-N 1 0 250.317 2.461 10 0 CEAERO c1sc(CCc2ccccc2)nc1CN[C@H]1CC[NH2+]C1 ZINC000262271531 624882367 /nfs/dbraw/zinc/88/23/67/624882367.db2.gz YKWPXYMCFCIEIA-AWEZNQCLSA-N 1 0 287.432 2.380 10 0 CEAERO C[C@H]1CN(C(=O)c2cc3ccccc3s2)C[C@@H]1[NH3+] ZINC000235689273 624934825 /nfs/dbraw/zinc/93/48/25/624934825.db2.gz LZOZZXNCPAZWJO-ONGXEEELSA-N 1 0 260.362 2.321 10 0 CEAERO Cc1cc(Cl)ccc1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000235744344 625216699 /nfs/dbraw/zinc/21/66/99/625216699.db2.gz RRJMDIFZRRWQIJ-NSHDSACASA-N 1 0 252.745 2.212 10 0 CEAERO C[C@H]1CN(Cc2coc(-c3cccc(F)c3)n2)C[C@@H]1[NH3+] ZINC000235728230 625726942 /nfs/dbraw/zinc/72/69/42/625726942.db2.gz LTIWGONBSPLYSX-HZMBPMFUSA-N 1 0 275.327 2.260 10 0 CEAERO Cc1ccc(NC(=O)N2CC[NH2+]C[C@@H]2C)cc1Cl ZINC000054370919 625770643 /nfs/dbraw/zinc/77/06/43/625770643.db2.gz IUVUMZFGMOZVOJ-JTQLQIEISA-N 1 0 267.760 2.474 10 0 CEAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC(=O)NCC(F)F ZINC000393700607 627279797 /nfs/dbraw/zinc/27/97/97/627279797.db2.gz XVBRBPSGOFYWFE-WOPDTQHZSA-N 1 0 276.371 2.418 10 0 CEAERO COc1ccc([C@@H](C)C(=O)NNc2cc[nH+]cc2)cc1 ZINC000180462505 628081146 /nfs/dbraw/zinc/08/11/46/628081146.db2.gz NYQHEILYXVWLGZ-LLVKDONJSA-N 1 0 271.320 2.337 10 0 CEAERO CCOCCN1CC[N@H+](C[C@@H]2CCC=CO2)C[C@H]1CC ZINC000193900844 628491499 /nfs/dbraw/zinc/49/14/99/628491499.db2.gz UIKQJBWLSLOAPP-CVEARBPZSA-N 1 0 282.428 2.112 10 0 CEAERO C[NH2+]C[C@@H]1CCCCN1c1cnc2ccccc2n1 ZINC000053706802 628512876 /nfs/dbraw/zinc/51/28/76/628512876.db2.gz AHPANLLLBGLSAI-LBPRGKRZSA-N 1 0 256.353 2.208 10 0 CEAERO CC[C@@H]1CN(Cc2cc(C#CC[NH3+])cs2)C[C@@H](CC)O1 ZINC000398374530 628525351 /nfs/dbraw/zinc/52/53/51/628525351.db2.gz KAVFLGTWAAPUEA-HUUCEWRRSA-N 1 0 292.448 2.448 10 0 CEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(O)ccc1C ZINC000312761318 628528119 /nfs/dbraw/zinc/52/81/19/628528119.db2.gz NPDLVDXJQBILOT-ZDUSSCGKSA-N 1 0 276.380 2.257 10 0 CEAERO Cc1ccc(F)c(C(=O)N2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)c1 ZINC000313078681 628578238 /nfs/dbraw/zinc/57/82/38/628578238.db2.gz WQEWUUIBQCLFQI-QWHCGFSZSA-N 1 0 276.355 2.158 10 0 CEAERO C[C@@H]1CCN(c2ncccc2Br)C[C@H]1C[NH3+] ZINC000253189709 628645813 /nfs/dbraw/zinc/64/58/13/628645813.db2.gz KMLVBKKRSXWMJV-NXEZZACHSA-N 1 0 284.201 2.265 10 0 CEAERO [NH3+]C[C@@H]1CCC[C@H]1c1nc(-c2ccc(F)cn2)no1 ZINC000094044398 628749794 /nfs/dbraw/zinc/74/97/94/628749794.db2.gz BRYUINQQAVUPIJ-WCBMZHEXSA-N 1 0 262.288 2.113 10 0 CEAERO CC[C@@H]([NH2+]C1CCN(CCO)CC1)c1cccs1 ZINC000399025846 628769937 /nfs/dbraw/zinc/76/99/37/628769937.db2.gz HILQVQMIBLCWCW-CYBMUJFWSA-N 1 0 268.426 2.246 10 0 CEAERO CCC1(C)CCN(C(=O)[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000094648334 628870324 /nfs/dbraw/zinc/87/03/24/628870324.db2.gz MBHCQRBANHUTHA-QWHCGFSZSA-N 1 0 252.402 2.413 10 0 CEAERO Cc1ccnc(N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1Br ZINC000261549846 628937388 /nfs/dbraw/zinc/93/73/88/628937388.db2.gz KUEILQYSYWFBQS-AXFHLTTASA-N 1 0 296.212 2.326 10 0 CEAERO Cc1cc(Br)cnc1N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261554165 628937426 /nfs/dbraw/zinc/93/74/26/628937426.db2.gz OPEFVINWJLSKHU-JQWIXIFHSA-N 1 0 296.212 2.341 10 0 CEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1csc2ccccc12 ZINC000261559970 628939114 /nfs/dbraw/zinc/93/91/14/628939114.db2.gz DXNRPNVHTLNNQQ-JOYOIKCWSA-N 1 0 260.362 2.463 10 0 CEAERO CCN(c1nccc(C)c1Br)[C@H]1CC[NH2+]C1 ZINC000233485188 628954292 /nfs/dbraw/zinc/95/42/92/628954292.db2.gz XUQQZNKFZKIAGZ-JTQLQIEISA-N 1 0 284.201 2.341 10 0 CEAERO CCN(c1ccc(Br)c(C)n1)[C@@H]1CC[NH2+]C1 ZINC000233488810 628954322 /nfs/dbraw/zinc/95/43/22/628954322.db2.gz FZKDRADHHWNEOU-SNVBAGLBSA-N 1 0 284.201 2.341 10 0 CEAERO C[NH2+][C@@H](C)CNC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000261726992 629159824 /nfs/dbraw/zinc/15/98/24/629159824.db2.gz LEEHBRZBEDHXOJ-VIFPVBQESA-N 1 0 292.770 2.068 10 0 CEAERO C[NH2+][C@H](C)CNC(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000261731878 629164873 /nfs/dbraw/zinc/16/48/73/629164873.db2.gz LONANXCCKDJYJP-SECBINFHSA-N 1 0 293.754 2.333 10 0 CEAERO COC[C@]1(CNc2ccnc(C(F)(F)F)c2)CCC[NH2+]1 ZINC000261822992 629257974 /nfs/dbraw/zinc/25/79/74/629257974.db2.gz UCZWHQJMBMPAND-GFCCVEGCSA-N 1 0 289.301 2.281 10 0 CEAERO CCN(c1ccc(C(=O)NC[C@H](C)[NH2+]C)cc1)C(C)C ZINC000261830219 629262361 /nfs/dbraw/zinc/26/23/61/629262361.db2.gz VIJVMWKDANQGJI-ZDUSSCGKSA-N 1 0 277.412 2.259 10 0 CEAERO C[C@@H](NC(=O)C1([NH3+])CCC1)c1ccc(Cl)s1 ZINC000088050467 629287288 /nfs/dbraw/zinc/28/72/88/629287288.db2.gz WIRDPNDPZJEKPK-SSDOTTSWSA-N 1 0 258.774 2.460 10 0 CEAERO [NH3+]C[C@@H]1CN(C(=O)C2CC(F)(F)C2)C[C@H]1c1ccccc1 ZINC000261893595 629305260 /nfs/dbraw/zinc/30/52/60/629305260.db2.gz APIXJHBSVYSWKV-KGLIPLIRSA-N 1 0 294.345 2.233 10 0 CEAERO CCOc1ccc(CN2C[C@H]([NH3+])[C@@H](C)C2)cc1F ZINC000261967348 629401427 /nfs/dbraw/zinc/40/14/27/629401427.db2.gz HXNYSXVDIXDRLT-GWCFXTLKSA-N 1 0 252.333 2.003 10 0 CEAERO CCCN(C(=O)[C@@H](C)Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000178932981 629815794 /nfs/dbraw/zinc/81/57/94/629815794.db2.gz PQLVGDYIDPBRHM-HOCLYGCPSA-N 1 0 274.408 2.466 10 0 CEAERO CC[N@H+](CC(=O)[O-])C1CC([NH2+][C@H](C)CCC(C)C)C1 ZINC000263513823 631456632 /nfs/dbraw/zinc/45/66/32/631456632.db2.gz OBUQMKAZIBBAJL-IYXRBSQSSA-N 1 0 270.417 2.338 10 0 CEAERO CCCCOC(=O)CC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000051995715 631461311 /nfs/dbraw/zinc/46/13/11/631461311.db2.gz UUXVETAOASXTMF-UONOGXRCSA-N 1 0 269.385 2.363 10 0 CEAERO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCC[NH2+]2)cc1F ZINC000088252769 632280238 /nfs/dbraw/zinc/28/02/38/632280238.db2.gz KXDAGOPJCAISIV-GWCFXTLKSA-N 1 0 250.317 2.063 10 0 CEAERO CCC(CC)(CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)SC ZINC000226375635 639541706 /nfs/dbraw/zinc/54/17/06/639541706.db2.gz GZRWYSXXRJVXQX-GHMZBOCLSA-N 1 0 258.431 2.152 10 0 CEAERO CCN1CCO[C@H](C[NH2+]Cc2cncc3ccccc32)C1 ZINC000158095763 639569479 /nfs/dbraw/zinc/56/94/79/639569479.db2.gz IJTNNJHOTKMDHW-MRXNPFEDSA-N 1 0 285.391 2.045 10 0 CEAERO CCC[C@@H](OC)c1noc(C[C@@H]2CCC[NH2+]C2)n1 ZINC000227311435 639584760 /nfs/dbraw/zinc/58/47/60/639584760.db2.gz LJCSKFQMNHCHDZ-WDEREUQCSA-N 1 0 253.346 2.099 10 0 CEAERO O[C@H]1CCC[C@H]([NH2+]Cc2occc2Br)C1 ZINC000227368473 639587389 /nfs/dbraw/zinc/58/73/89/639587389.db2.gz DCHCCALKEKMUFA-IUCAKERBSA-N 1 0 274.158 2.435 10 0 CEAERO C[C@@]1(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)CCC[NH2+]1 ZINC000227489517 639593058 /nfs/dbraw/zinc/59/30/58/639593058.db2.gz AQSCKASNQVYLGN-SCVCMEIPSA-N 1 0 278.318 2.366 10 0 CEAERO Cc1cc(C)cc([C@H](O)CN2C[C@H]([NH+](C)C)[C@@H](C)C2)c1 ZINC000228122703 639618395 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ZINC000062119721 639736900 /nfs/dbraw/zinc/73/69/00/639736900.db2.gz PXBNKASWHDWQJW-ZETCQYMHSA-N 1 0 251.236 2.092 10 0 CEAERO C[C@H]([NH3+])CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000063171752 639837409 /nfs/dbraw/zinc/83/74/09/639837409.db2.gz MBEVRLZJMFNVBO-QMMMGPOBSA-N 1 0 296.314 2.129 10 0 CEAERO CN(Cc1ccc(Cl)nc1)[C@@H]1CCC[NH2+]CC1 ZINC000231458097 639853979 /nfs/dbraw/zinc/85/39/79/639853979.db2.gz JQFIEWSQWLOJKI-GFCCVEGCSA-N 1 0 253.777 2.309 10 0 CEAERO COC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000089147154 640087112 /nfs/dbraw/zinc/08/71/12/640087112.db2.gz NXSPGUUXXJYTGX-YNEHKIRRSA-N 1 0 286.416 2.304 10 0 CEAERO [NH3+]C[C@@H]1CCCC[C@@H]1C(=O)NCc1ccsc1 ZINC000089399256 640391411 /nfs/dbraw/zinc/39/14/11/640391411.db2.gz OYPJZTDHKAMCJI-RYUDHWBXSA-N 1 0 252.383 2.129 10 0 CEAERO CC(C)Nc1ncnc2c1ncn2C[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000174956522 641296539 /nfs/dbraw/zinc/29/65/39/641296539.db2.gz HISXVIRNSCJVOQ-VXGBXAGGSA-N 1 0 288.399 2.334 10 0 CEAERO Cc1ccc(-c2cc(C(=O)N[C@@H]3CCC[C@H]3C[NH3+])[nH]n2)cc1 ZINC000237707807 641374381 /nfs/dbraw/zinc/37/43/81/641374381.db2.gz WQXURIVGTWPDEL-UONOGXRCSA-N 1 0 298.390 2.242 10 0 CEAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1sccc1OC(F)F ZINC000238080852 641439777 /nfs/dbraw/zinc/43/97/77/641439777.db2.gz KYVPBLHXLVGSOQ-SFYZADRCSA-N 1 0 290.335 2.207 10 0 CEAERO C[C@@H](NC(=O)[C@H](C[NH3+])c1ccccc1)C1CCCC1 ZINC000070306846 641655795 /nfs/dbraw/zinc/65/57/95/641655795.db2.gz UXNUYJSXIUTMLC-IUODEOHRSA-N 1 0 260.381 2.424 10 0 CEAERO Cc1cc2c(ncnc2NC[C@@H]([NH3+])C(C)C)s1 ZINC000070463632 641671226 /nfs/dbraw/zinc/67/12/26/641671226.db2.gz HBFCIOSZUBIDSV-SNVBAGLBSA-N 1 0 250.371 2.395 10 0 CEAERO FC(F)(F)C1CCC(CNC2=[NH+]CCCN2)CC1 ZINC000072914346 641992604 /nfs/dbraw/zinc/99/26/04/641992604.db2.gz LTXFEKCYNHGCTG-UHFFFAOYSA-N 1 0 263.307 2.294 10 0 CEAERO C[C@@H]([NH2+]C[C@@H]1CCCS1(=O)=O)c1ccc(F)c(F)c1 ZINC000126892375 650995059 /nfs/dbraw/zinc/99/50/59/650995059.db2.gz WNNCNGSDFGDOCS-KOLCDFICSA-N 1 0 289.347 2.193 10 0 CEAERO C[C@H]1CC[C@@H](C(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)O1 ZINC000124497060 649656324 /nfs/dbraw/zinc/65/63/24/649656324.db2.gz CYPOICAOBHADNB-IMJJTQAJSA-N 1 0 289.375 2.372 10 0 CEAERO COc1cccnc1NCc1ccc(CC[NH3+])cc1 ZINC000128330213 651419729 /nfs/dbraw/zinc/41/97/29/651419729.db2.gz DZMCIYYEJZSVPN-UHFFFAOYSA-N 1 0 257.337 2.204 10 0 CEAERO CCOc1ccc(N[C@H]2CCC[NH2+]CC2)cc1CO ZINC000129154208 651834138 /nfs/dbraw/zinc/83/41/38/651834138.db2.gz XSXNXXXUZYNMGN-ZDUSSCGKSA-N 1 0 264.369 2.132 10 0 CEAERO COc1cc(C)ccc1-c1noc([C@@H]2CCC[NH2+]2)n1 ZINC000211873731 651887869 /nfs/dbraw/zinc/88/78/69/651887869.db2.gz BIJHURJWVSHWRV-NSHDSACASA-N 1 0 259.309 2.478 10 0 CEAERO COc1cc(-c2noc([C@H]3CCC[NH2+]3)n2)ccc1F ZINC000211989425 651929790 /nfs/dbraw/zinc/92/97/90/651929790.db2.gz WYJBWEGUTIOGKA-SNVBAGLBSA-N 1 0 263.272 2.309 10 0 CEAERO CCC1CCC(c2noc([C@H]3C[C@@H](O)C[NH2+]3)n2)CC1 ZINC000131784026 652464081 /nfs/dbraw/zinc/46/40/81/652464081.db2.gz MBZPPLNFLGBZSL-KIDURHIOSA-N 1 0 265.357 2.149 10 0 CEAERO O=C(CC[C@H]1CC[NH2+]C1)NC1C2CC3CC(C2)CC1C3 ZINC000134498167 652847415 /nfs/dbraw/zinc/84/74/15/652847415.db2.gz SVCNRFNOSRDWAS-PQJKGVAHSA-N 1 0 276.424 2.317 10 0 CEAERO